smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name FC(F)(c1cc(-c2cccs2)nnc1Cl)N1CC[C@H]2[NH2+]CCO[C@H]2C1 ZINC001164390314 718825035 /nfs/dbraw/zinc/82/50/35/718825035.db2.gz NVIKBUJSIBOVKV-YPMHNXCESA-N 1 0 386.855 2.971 20 0 GFADRO Fc1ccc2nc(-c3ccccc3F)nc(N3CCN4CC[NH2+]C[C@@H]4C3)c2c1 ZINC001164394423 718831325 /nfs/dbraw/zinc/83/13/25/718831325.db2.gz ZPHLAFGMZMJTQF-OAHLLOKOSA-N 1 0 381.430 2.669 20 0 GFADRO Fc1cccc(-c2cc(C(F)(F)N3CCN4CC[NH2+]C[C@H]4C3)c(Cl)nn2)c1 ZINC001164399627 718844176 /nfs/dbraw/zinc/84/41/76/718844176.db2.gz CETDFOODRPALRW-AWEZNQCLSA-N 1 0 397.832 2.575 20 0 GFADRO CN1CCc2nc(Cl)nc(N3[C@@H](C(F)(F)F)CCC34CC[NH2+]CC4)c2C1 ZINC001164413311 718881840 /nfs/dbraw/zinc/88/18/40/718881840.db2.gz HIJDVBLFLSXBEE-CYBMUJFWSA-N 1 0 389.853 2.771 20 0 GFADRO CC1CCN(Cc2nc3sc4c(c3c(N3C[C@H]5C[C@@]5([NH3+])C3)n2)CCC4)CC1 ZINC001164421375 718888313 /nfs/dbraw/zinc/88/83/13/718888313.db2.gz XMHRKRVCHQZRPR-SPLOXXLWSA-N 1 0 383.565 2.949 20 0 GFADRO FC(F)(c1cnc(Cl)cc1Cl)N1CCCO[C@@]2(C[NH2+]CCOC2)C1 ZINC001164421495 718912608 /nfs/dbraw/zinc/91/26/08/718912608.db2.gz RWVOFZKSOABXHJ-AWEZNQCLSA-N 1 0 382.238 2.519 20 0 GFADRO CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@@H]2N1C(F)(F)c1ccc(Cl)c(Cl)n1 ZINC001164613986 719014777 /nfs/dbraw/zinc/01/47/77/719014777.db2.gz AYZDQWMYTAAVSJ-MIMYLULJSA-N 1 0 380.222 2.663 20 0 GFADRO CCOC(=O)C1CC[NH+](C2CCN(c3nc(C)cc(SC)n3)CC2)CC1 ZINC001164617560 719026516 /nfs/dbraw/zinc/02/65/16/719026516.db2.gz OORQXOMZCYFFDK-UHFFFAOYSA-N 1 0 378.542 2.751 20 0 GFADRO CCOC(=O)C1CC[NH+](C2CCN(c3ncnc4cc(OC)ccc43)CC2)CC1 ZINC001164617401 719026749 /nfs/dbraw/zinc/02/67/49/719026749.db2.gz KYJVUSYACFKDQH-UHFFFAOYSA-N 1 0 398.507 2.882 20 0 GFADRO CCOC(=O)C1CC[NH+](C2CCN(c3c(C)nc(Cl)nc3OC)CC2)CC1 ZINC001164617358 719026791 /nfs/dbraw/zinc/02/67/91/719026791.db2.gz KLJPLMHVSXUPGF-UHFFFAOYSA-N 1 0 396.919 2.691 20 0 GFADRO CCOC(=O)C1CC[NH+](C2CCN(c3ncnc4cccc(OC)c43)CC2)CC1 ZINC001164616480 719031918 /nfs/dbraw/zinc/03/19/18/719031918.db2.gz DGODOHSTEAXJMA-UHFFFAOYSA-N 1 0 398.507 2.882 20 0 GFADRO COC(=O)c1cc(OC)cnc1N1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001164623570 719069977 /nfs/dbraw/zinc/06/99/77/719069977.db2.gz JTGHCESJKHLBOK-YLJYHZDGSA-N 1 0 381.476 2.978 20 0 GFADRO O=C1CSc2ncnc(N3CCC[C@@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)c2N1 ZINC001164626833 719112157 /nfs/dbraw/zinc/11/21/57/719112157.db2.gz IZEPBYGRDFDWGE-CVEARBPZSA-N 1 0 381.505 2.622 20 0 GFADRO CC(C)N(C)Cc1nn(-c2cc(C(=O)OC(C)(C)C)ccn2)c2c1CC[NH2+]C2 ZINC001164683929 719608185 /nfs/dbraw/zinc/60/81/85/719608185.db2.gz LNXUYBAITKVDIH-UHFFFAOYSA-N 1 0 385.512 2.709 20 0 GFADRO CC(C)N(C)Cc1nn(-c2nccc(Oc3ccccc3)n2)c2c1CC[NH2+]C2 ZINC001164684305 719612009 /nfs/dbraw/zinc/61/20/09/719612009.db2.gz OIBIMLBHPWDKKR-UHFFFAOYSA-N 1 0 378.480 2.941 20 0 GFADRO COC(=O)c1cc2ccccc2nc1-n1nc(CN(C)C(C)C)c2c1C[NH2+]CC2 ZINC001164681179 719629990 /nfs/dbraw/zinc/62/99/90/719629990.db2.gz CDTONRRVQAIJAS-UHFFFAOYSA-N 1 0 393.491 2.693 20 0 GFADRO CC(C)N(C)Cc1nn(-c2cncc(-c3ccc(F)cc3)n2)c2c1CC[NH2+]C2 ZINC001164683504 719649897 /nfs/dbraw/zinc/64/98/97/719649897.db2.gz VPGYPLGEMPYXOT-UHFFFAOYSA-N 1 0 380.471 2.954 20 0 GFADRO COC(=O)c1cc(Cl)c(-n2nc(CN(C)C(C)C)c3c2C[NH2+]CC3)nc1C ZINC001164679443 719650382 /nfs/dbraw/zinc/65/03/82/719650382.db2.gz APGSNKDHPJTKTR-UHFFFAOYSA-N 1 0 391.903 2.502 20 0 GFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1cnc(Cl)cn1)C2 ZINC001164814177 720078548 /nfs/dbraw/zinc/07/85/48/720078548.db2.gz VTELHAJPFBDJLO-RHSMWYFYSA-N 1 0 386.874 2.860 20 0 GFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ncc(C)cc1/C=C\C(=O)OC)C2 ZINC001164818749 720150286 /nfs/dbraw/zinc/15/02/86/720150286.db2.gz UMPJKUYMDGVIBF-BXTYQOGLSA-N 1 0 399.535 2.761 20 0 GFADRO Cn1nnc2c1CCN(c1nccc3ccccc31)[C@@H]2COCC[NH+]1CCCC1 ZINC001164714536 720169923 /nfs/dbraw/zinc/16/99/23/720169923.db2.gz QJJNVZXTKJPZBQ-HXUWFJFHSA-N 1 0 392.507 2.580 20 0 GFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ccc(-c3ccncc3)nn1)C2 ZINC001164815041 720181399 /nfs/dbraw/zinc/18/13/99/720181399.db2.gz HEVCPMPWWHUPCK-DENIHFKCSA-N 1 0 379.508 2.723 20 0 GFADRO COc1ccc(Cl)c(N2CCCn3c(=O)cc(C[N@H+](C)C(C)C)nc3C2)n1 ZINC001164814067 720224121 /nfs/dbraw/zinc/22/41/21/720224121.db2.gz RZTKKDVAVOXSHN-UHFFFAOYSA-N 1 0 391.903 2.551 20 0 GFADRO Cc1ccc(Cl)nc1N1CC[C@H]2[C@@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164819150 720288766 /nfs/dbraw/zinc/28/87/66/720288766.db2.gz PQTSIOIHGRYPER-IRXDYDNUSA-N 1 0 376.932 2.955 20 0 GFADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2nc(Cl)ncc2Cl)CC1 ZINC001164825352 720294490 /nfs/dbraw/zinc/29/44/90/720294490.db2.gz TWDRUGSIFJGGID-HUUCEWRRSA-N 1 0 398.338 2.695 20 0 GFADRO COc1cc(Cl)nc(N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c1 ZINC001164823846 720313996 /nfs/dbraw/zinc/31/39/96/720313996.db2.gz QGRCSAICBSGNKA-SJORKVTESA-N 1 0 392.931 2.655 20 0 GFADRO CCCc1cc(N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc(C)n1 ZINC001164833021 720328119 /nfs/dbraw/zinc/32/81/19/720328119.db2.gz VVSYZGPZYWHEBS-PMACEKPBSA-N 1 0 385.556 2.649 20 0 GFADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2ncc3cc(F)ccc3n2)CC1 ZINC001164832473 720330041 /nfs/dbraw/zinc/33/00/41/720330041.db2.gz UBAPQEHQVGQJNS-PMACEKPBSA-N 1 0 397.498 2.680 20 0 GFADRO Cc1cc2ncnc(N3CC[C@@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)c2s1 ZINC001164829015 720332567 /nfs/dbraw/zinc/33/25/67/720332567.db2.gz LHAJMZSUVFLGDP-QZTJIDSGSA-N 1 0 399.564 2.911 20 0 GFADRO O=C(c1cccnc1N1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1)N1CCCCC1 ZINC001164729911 720336964 /nfs/dbraw/zinc/33/69/64/720336964.db2.gz YVMJWURWCZHCBC-SFTDATJTSA-N 1 0 391.519 2.956 20 0 GFADRO CCOC(=O)c1cc(Cl)nnc1N1CC[C@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164721155 720356787 /nfs/dbraw/zinc/35/67/87/720356787.db2.gz ATYLGXAMNXHTRK-JKSUJKDBSA-N 1 0 387.871 2.555 20 0 GFADRO CCOC(=O)c1cnc(C2CC2)nc1N1CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164728303 720384011 /nfs/dbraw/zinc/38/40/11/720384011.db2.gz SVOHFFVKCJAJEA-RTBURBONSA-N 1 0 393.491 2.779 20 0 GFADRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(c2ncnc3c2ccn3C2CCCC2)C1 ZINC001164726789 720517285 /nfs/dbraw/zinc/51/72/85/720517285.db2.gz DUTWZKBZLZHOLQ-MRXNPFEDSA-N 1 0 379.512 2.941 20 0 GFADRO C[NH+](C)C[C@H]1Cn2ccnc2CN(c2nccc(Oc3cccc(F)c3)n2)C1 ZINC001164734555 720521718 /nfs/dbraw/zinc/52/17/18/720521718.db2.gz QIOCIESIORTTEK-HNNXBMFYSA-N 1 0 382.443 2.803 20 0 GFADRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(C(F)(F)c2nc3ccc(Cl)nc3[nH]2)C1 ZINC001164733327 720526656 /nfs/dbraw/zinc/52/66/56/720526656.db2.gz JAZJIHGNVBCLPY-LLVKDONJSA-N 1 0 395.845 2.551 20 0 GFADRO Cc1cc2c(ncnc2N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)[nH]1 ZINC001164834910 720526735 /nfs/dbraw/zinc/52/67/35/720526735.db2.gz IEGFYEOSTJFQIJ-ZIFCJYIRSA-N 1 0 379.512 2.841 20 0 GFADRO COC(=O)c1cnc(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)cn1 ZINC001164837095 720658918 /nfs/dbraw/zinc/65/89/18/720658918.db2.gz BQOOHOZTEYPLSF-SFHVURJKSA-N 1 0 396.491 2.523 20 0 GFADRO CC[C@H](C)c1nc2[nH]ccc2c(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)n1 ZINC001164747470 720807450 /nfs/dbraw/zinc/80/74/50/720807450.db2.gz ODHDHSOMBFSWTI-ARFHVFGLSA-N 1 0 393.495 2.603 20 0 GFADRO Fc1cnc(Cl)cc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164739574 720826158 /nfs/dbraw/zinc/82/61/58/720826158.db2.gz HYFAWHYVZDNJBO-YQQAZPJKSA-N 1 0 390.894 2.845 20 0 GFADRO CC(C)c1cncnc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164743842 720828271 /nfs/dbraw/zinc/82/82/71/720828271.db2.gz SUNBFPKJJAGFJS-WSTZPKSXSA-N 1 0 381.528 2.571 20 0 GFADRO c1cc2nc(N3CC[C@H]4[C@@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)ccc2o1 ZINC001164748968 720834310 /nfs/dbraw/zinc/83/43/10/720834310.db2.gz VFKYBOYMFGXISB-LNLFQRSKSA-N 1 0 378.480 2.799 20 0 GFADRO CCCc1cc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc(C)n1 ZINC001164741164 720838171 /nfs/dbraw/zinc/83/81/71/720838171.db2.gz DMEZBIJFEBPWPF-HMXCVIKNSA-N 1 0 395.555 2.708 20 0 GFADRO COCC[N@@H+]1CCO[C@H]2CN(c3nc(SC)nc4ccsc43)CC[C@@H]2C1 ZINC001164849678 720851295 /nfs/dbraw/zinc/85/12/95/720851295.db2.gz CMVHMESGEFQINH-HIFRSBDPSA-N 1 0 394.566 2.587 20 0 GFADRO COCC[N@@H+]1CCO[C@@H]2CN(c3cc(F)cc4ncnc(Cl)c43)CC[C@@H]2C1 ZINC001164859634 720869987 /nfs/dbraw/zinc/86/99/87/720869987.db2.gz UWEAADFNROAYJH-CXAGYDPISA-N 1 0 394.878 2.596 20 0 GFADRO COCC[N@@H+]1CCO[C@@H]2CN(c3ncc(F)c(-c4ccsc4)n3)CC[C@@H]2C1 ZINC001164861597 720888971 /nfs/dbraw/zinc/88/89/71/720888971.db2.gz PVCJRLQUTVLDQM-RHSMWYFYSA-N 1 0 392.500 2.518 20 0 GFADRO COc1cnc(SC)nc1N1CCn2c(C[N@H+](C)C(C)C)cnc2[C@H]1C ZINC001164860749 720926977 /nfs/dbraw/zinc/92/69/77/720926977.db2.gz SOWAZBHKLXZGOR-CYBMUJFWSA-N 1 0 376.530 2.825 20 0 GFADRO CCOC(=O)c1c(C)ncnc1N1CCn2c(C[N@H+](C)C(C)C)cnc2[C@H]1C ZINC001164857033 720964586 /nfs/dbraw/zinc/96/45/86/720964586.db2.gz FWMCXVAXTUXHEA-OAHLLOKOSA-N 1 0 386.500 2.580 20 0 GFADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1ccc3ccc(=O)n(C)c3n1)[C@H]2C ZINC001164857048 720965614 /nfs/dbraw/zinc/96/56/14/720965614.db2.gz GDFXVSUZUOYLMM-HNNXBMFYSA-N 1 0 380.496 2.551 20 0 GFADRO CCCNC(=O)c1cccnc1N1CCn2c(C[N@H+](C)C(C)C)cnc2[C@@H]1C ZINC001164862726 721000904 /nfs/dbraw/zinc/00/09/04/721000904.db2.gz UEGRLTGROVJIPQ-INIZCTEOSA-N 1 0 384.528 2.839 20 0 GFADRO Clc1cc(Cl)c(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)nn1 ZINC001164869164 721051431 /nfs/dbraw/zinc/05/14/31/721051431.db2.gz SBNCWZIAEFWHDO-KGLIPLIRSA-N 1 0 380.279 2.658 20 0 GFADRO Clc1nnc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)c2cnccc12 ZINC001164869940 721056752 /nfs/dbraw/zinc/05/67/52/721056752.db2.gz UQLSRXNNPMMDIB-HZPDHXFCSA-N 1 0 396.882 2.553 20 0 GFADRO COc1ccc2cnc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)nc2c1 ZINC001164867921 721070936 /nfs/dbraw/zinc/07/09/36/721070936.db2.gz KYKNBROKDDCJRM-UYAOXDASSA-N 1 0 391.475 2.513 20 0 GFADRO c1coc(-c2cnc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)cn2)c1 ZINC001164864079 721077513 /nfs/dbraw/zinc/07/75/13/721077513.db2.gz DYLZEHIQLSZKCL-ROUUACIJSA-N 1 0 377.448 2.611 20 0 GFADRO c1coc(-c2cnc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)cn2)c1 ZINC001164864077 721077644 /nfs/dbraw/zinc/07/76/44/721077644.db2.gz DYLZEHIQLSZKCL-QZTJIDSGSA-N 1 0 377.448 2.611 20 0 GFADRO Clc1nc2cccnc2nc1N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164865491 721086010 /nfs/dbraw/zinc/08/60/10/721086010.db2.gz LTJCUPPRWFCXEF-HOTGVXAUSA-N 1 0 396.882 2.553 20 0 GFADRO FC(F)(c1cnnc(Cl)c1)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164862767 721089959 /nfs/dbraw/zinc/08/99/59/721089959.db2.gz AETDZANSHNRGFM-JKSUJKDBSA-N 1 0 395.841 2.550 20 0 GFADRO COc1cccc2cnc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)nc21 ZINC001164862769 721095067 /nfs/dbraw/zinc/09/50/67/721095067.db2.gz AGYYSGFHHKPHPM-MOPGFXCFSA-N 1 0 391.475 2.513 20 0 GFADRO Clc1cnc2c(c1)ncnc2N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164866206 721103138 /nfs/dbraw/zinc/10/31/38/721103138.db2.gz SBPFLUOIGJRKLX-DLBZAZTESA-N 1 0 396.882 2.553 20 0 GFADRO CC(C)OC(=O)c1cccnc1N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164880743 721180014 /nfs/dbraw/zinc/18/00/14/721180014.db2.gz XLKLZQXXMXQKLB-OALUTQOASA-N 1 0 396.491 2.522 20 0 GFADRO c1cncc(CO[C@H]2C[C@H]3CN(c4nccc5c6c([nH]c54)CCC6)CC[N@@H+]3C2)c1 ZINC001164880672 721182427 /nfs/dbraw/zinc/18/24/27/721182427.db2.gz WVODXTGULYRAJK-ROUUACIJSA-N 1 0 389.503 2.926 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4ccc(COC5CCC5)cn4)C[C@H]3C2)cn1 ZINC001164763905 721230761 /nfs/dbraw/zinc/23/07/61/721230761.db2.gz OAUYXTZARJNZDL-WOJBJXKFSA-N 1 0 381.524 2.843 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4cncc(-c5ccc(F)cc5)n4)C[C@H]3C2)cn1 ZINC001164769698 721237233 /nfs/dbraw/zinc/23/72/33/721237233.db2.gz ZEAWFLVLCVCBKY-RBUKOAKNSA-N 1 0 392.482 2.975 20 0 GFADRO COC(=O)c1cnc(Cl)cc1C(F)(F)N1CC2(C1)CC[N@H+](CC1CC1)C2 ZINC001164768032 721297826 /nfs/dbraw/zinc/29/78/26/721297826.db2.gz DPOXVWLIRYZRST-UHFFFAOYSA-N 1 0 385.842 2.989 20 0 GFADRO COc1cccc(N2CCC[C@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)n1 ZINC001164777862 721339169 /nfs/dbraw/zinc/33/91/69/721339169.db2.gz JONKOJGKOWQDMV-NRFANRHFSA-N 1 0 386.496 2.814 20 0 GFADRO COc1ccnc(Cl)c1N1CC[C@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2 ZINC001164895439 721444144 /nfs/dbraw/zinc/44/41/44/721444144.db2.gz PBDOGUWCEBIFOM-UZLBHIALSA-N 1 0 394.947 2.509 20 0 GFADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cccc(OC)n1)CC2 ZINC001164788696 721453236 /nfs/dbraw/zinc/45/32/36/721453236.db2.gz SQMITBDKHYPTNH-IBGZPJMESA-N 1 0 389.540 2.824 20 0 GFADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cncnc1Cl)CC2 ZINC001164785270 721453535 /nfs/dbraw/zinc/45/35/35/721453535.db2.gz HZHKFHOPDNHFRP-QGZVFWFLSA-N 1 0 394.947 2.864 20 0 GFADRO C[C@H]1C(=O)Nc2ncnc(N3CCC4(CC([N@H+](C)Cc5ccncc5)C4)CC3)c21 ZINC001164791933 721496810 /nfs/dbraw/zinc/49/68/10/721496810.db2.gz FGFCJQNFRWEIHB-OAHLLOKOSA-N 1 0 392.507 2.808 20 0 GFADRO CCN(C)c1cc(C)nc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)n1 ZINC001164900542 721507796 /nfs/dbraw/zinc/50/77/96/721507796.db2.gz SAZUTEGSWFJLCG-PKOBYXMFSA-N 1 0 385.487 2.722 20 0 GFADRO CCOC(=O)c1cccnc1N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164896916 721512765 /nfs/dbraw/zinc/51/27/65/721512765.db2.gz CHAFEIBBXXLRRU-WMZOPIPTSA-N 1 0 385.439 2.739 20 0 GFADRO CN(C)c1cc(Cl)nc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)n1 ZINC001164905865 721537329 /nfs/dbraw/zinc/53/73/29/721537329.db2.gz JKEXJGQZAOAPKA-GDBMZVCRSA-N 1 0 391.878 2.677 20 0 GFADRO Cc1nc2[nH]ccc2c(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)n1 ZINC001164805994 721538587 /nfs/dbraw/zinc/53/85/87/721538587.db2.gz NEXRIGMYADIIAQ-CEXWTWQISA-N 1 0 378.480 2.530 20 0 GFADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ccc3ncccc3n2)[C@@H]2CCCO[C@H]12 ZINC001164808402 721549141 /nfs/dbraw/zinc/54/91/41/721549141.db2.gz RWOFCFAMQIWBMM-SJBKTWHCSA-N 1 0 375.476 2.893 20 0 GFADRO Cc1[nH]c2ncnc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@H]4OCCC[C@H]43)c2c1C ZINC001164804722 721557316 /nfs/dbraw/zinc/55/73/16/721557316.db2.gz MNVJTEUMRKBOAZ-HBFSDRIKSA-N 1 0 392.507 2.838 20 0 GFADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncc(F)c3cc[nH]c32)[C@H]2CCCO[C@@H]12 ZINC001164806197 721570749 /nfs/dbraw/zinc/57/07/49/721570749.db2.gz PHRFJGKPJLXDAO-NLWGTHIKSA-N 1 0 381.455 2.965 20 0 GFADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cnc3c(n2)CCCC3)[C@@H]2CCCO[C@H]12 ZINC001164811415 721587723 /nfs/dbraw/zinc/58/77/23/721587723.db2.gz XNBPZFOCLMRXKR-SJBKTWHCSA-N 1 0 379.508 2.619 20 0 GFADRO COc1ccc2nc(N3CCCC34CC[NH+](CC(=O)N(C)C)CC4)ccc2c1 ZINC001165010096 721735171 /nfs/dbraw/zinc/73/51/71/721735171.db2.gz ABUJFQNZGFTGQP-UHFFFAOYSA-N 1 0 382.508 2.766 20 0 GFADRO CN(C)C(=O)CN1CCC2(CCC[N@@H+]2C(C)(C)c2ccnc(Cl)c2)CC1 ZINC001165012861 721750278 /nfs/dbraw/zinc/75/02/78/721750278.db2.gz PGOXMZVQOUEKHY-UHFFFAOYSA-N 1 0 378.948 2.989 20 0 GFADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2nc(C3CCC3)nc3[nH]ccc32)CC1 ZINC001165012247 721750426 /nfs/dbraw/zinc/75/04/26/721750426.db2.gz DJLHNUBPUJRZGJ-UHFFFAOYSA-N 1 0 396.539 2.748 20 0 GFADRO CCOC(=O)c1cncnc1N1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165027746 721798501 /nfs/dbraw/zinc/79/85/01/721798501.db2.gz XPMHYKVNAOKJCO-PWIZWCRZSA-N 1 0 395.507 2.785 20 0 GFADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ncc(Cl)cc3C(N)=O)C[C@@H]21 ZINC001165026371 721802726 /nfs/dbraw/zinc/80/27/26/721802726.db2.gz QZESLTBIJGMPCJ-ZOCIIQOWSA-N 1 0 399.926 2.966 20 0 GFADRO CCOC(=O)c1cc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)ncn1 ZINC001165017790 721807182 /nfs/dbraw/zinc/80/71/82/721807182.db2.gz AQUXSZBMSIMENT-QRFRQXIXSA-N 1 0 395.507 2.785 20 0 GFADRO Cc1ccnc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)c1C(N)=O ZINC001165021572 721809554 /nfs/dbraw/zinc/80/95/54/721809554.db2.gz DOLUZONWKUUKDQ-UHOSZYNNSA-N 1 0 379.508 2.621 20 0 GFADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ncc4c(n3)CCCN4)C[C@@H]21 ZINC001165027098 721811892 /nfs/dbraw/zinc/81/18/92/721811892.db2.gz SFBVCEKTUXSYFV-PLMTUMEDSA-N 1 0 378.524 2.967 20 0 GFADRO CCNC(=O)c1cccnc1N1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165018802 721817665 /nfs/dbraw/zinc/81/76/65/721817665.db2.gz AGYOYZRETXOPSB-WMQCIHAUSA-N 1 0 393.535 2.963 20 0 GFADRO Cc1nc2nc(N3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)ncc2[nH]1 ZINC001165025467 721818849 /nfs/dbraw/zinc/81/88/49/721818849.db2.gz MVYMKQFWYQWITL-WDYCEAGBSA-N 1 0 377.496 2.745 20 0 GFADRO CCOC(=O)C1(F)CCN(c2ncnc3c2CCN(Cc2ccccc2)C3)CC1 ZINC001165016645 721834417 /nfs/dbraw/zinc/83/44/17/721834417.db2.gz DYVCBQUUZGXJFC-UHFFFAOYSA-N 1 0 398.482 2.907 20 0 GFADRO CCOc1ccc(N(C)C2CC[NH+](Cc3c(OC)cccc3OC)CC2)nn1 ZINC001165019327 721838545 /nfs/dbraw/zinc/83/85/45/721838545.db2.gz DCWOIGSEIOMYKD-UHFFFAOYSA-N 1 0 386.496 2.993 20 0 GFADRO C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2c1cc(C(=O)Nc2ccccc2)ccn1 ZINC001164924828 721865052 /nfs/dbraw/zinc/86/50/52/721865052.db2.gz LNSRJHBCAJAGCV-UXHICEINSA-N 1 0 379.508 2.549 20 0 GFADRO COc1cccc2nc(Cl)nc(N3CC[C@@H]4[C@@H]3CCN4CC[NH+](C)C)c21 ZINC001164928292 721866687 /nfs/dbraw/zinc/86/66/87/721866687.db2.gz YDFWAUYRIRSKMF-CABCVRRESA-N 1 0 375.904 2.506 20 0 GFADRO CN(CC1CC[NH+](C)CC1)c1nc(Cl)nc2c1ncn2[C@H]1CCCCO1 ZINC001165041486 721933767 /nfs/dbraw/zinc/93/37/67/721933767.db2.gz ZOHCTAQOMGDOEU-CQSZACIVSA-N 1 0 378.908 2.957 20 0 GFADRO C[NH+](C)CC1CCN(c2cc(N3CCN(c4ccccc4F)CC3)ncn2)CC1 ZINC001165044518 721949820 /nfs/dbraw/zinc/94/98/20/721949820.db2.gz CVMGSLZAWBINDQ-UHFFFAOYSA-N 1 0 398.530 2.720 20 0 GFADRO CCOC(=O)[C@@H]1CCc2nnc(N3CCCC[C@@H]3CC[NH+]3CCCC3)cc2C1 ZINC001165049861 721979071 /nfs/dbraw/zinc/97/90/71/721979071.db2.gz NCUBPRLYDCNPDT-IEBWSBKVSA-N 1 0 386.540 2.989 20 0 GFADRO CC1CCN(C(=O)c2ccc(N3CC[NH+](CCc4ccccn4)CC3)nc2)CC1 ZINC001165055540 722017141 /nfs/dbraw/zinc/01/71/41/722017141.db2.gz PMCBMDBXHOTDOC-UHFFFAOYSA-N 1 0 393.535 2.713 20 0 GFADRO NC(=S)Nc1ccc(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)nc1 ZINC001164965152 722023352 /nfs/dbraw/zinc/02/33/52/722023352.db2.gz ZZMDUBLGEPCAPY-UHFFFAOYSA-N 1 0 382.537 2.625 20 0 GFADRO COc1nc(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)nc2c1ccn2C ZINC001164962046 722024657 /nfs/dbraw/zinc/02/46/57/722024657.db2.gz OSOUYFUXDMSEMS-UHFFFAOYSA-N 1 0 392.507 2.864 20 0 GFADRO Clc1ncnc2[nH]cc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)c21 ZINC001164980796 722103953 /nfs/dbraw/zinc/10/39/53/722103953.db2.gz KKRFQHNHJJLCMC-RDJZCZTQSA-N 1 0 398.898 2.685 20 0 GFADRO Fc1ccc2ncnc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)c2c1 ZINC001164983926 722104030 /nfs/dbraw/zinc/10/40/30/722104030.db2.gz RFJFYAUOWHMGDH-DYESRHJHSA-N 1 0 393.466 2.891 20 0 GFADRO Cc1nc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)nc(C)c1Cl ZINC001164981689 722126258 /nfs/dbraw/zinc/12/62/58/722126258.db2.gz UXGOQMAYYCWNNF-MSOLQXFVSA-N 1 0 387.915 2.869 20 0 GFADRO Cc1nc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)nc(C)c1Cl ZINC001164981697 722126437 /nfs/dbraw/zinc/12/64/37/722126437.db2.gz UXGOQMAYYCWNNF-QZTJIDSGSA-N 1 0 387.915 2.869 20 0 GFADRO c1coc(-c2ccc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)nn2)c1 ZINC001164985077 722147214 /nfs/dbraw/zinc/14/72/14/722147214.db2.gz ZEFGPIAEELNCJI-NQIIRXRSSA-N 1 0 391.475 2.859 20 0 GFADRO Cc1nc(CN2CCO[C@H]3CCN(c4cc(N(C)C)cc[nH+]4)CC[C@H]32)cs1 ZINC001164994541 722181332 /nfs/dbraw/zinc/18/13/32/722181332.db2.gz YZWGGPSCIMONNJ-MOPGFXCFSA-N 1 0 387.553 2.782 20 0 GFADRO CSCc1ccc(N2CCCn3cnc(COCC[NH+](C)C)c3C2)nc1 ZINC001165004980 722257354 /nfs/dbraw/zinc/25/73/54/722257354.db2.gz YVWROZQLYLPRDE-UHFFFAOYSA-N 1 0 375.542 2.630 20 0 GFADRO Cn1ccc2c1cc[nH+]c2N1CC[C@]2(C1)CN(c1cccc(F)c1)C(=O)CN2C ZINC001165003577 722262446 /nfs/dbraw/zinc/26/24/46/722262446.db2.gz IPBYSQYUCQKEND-QFIPXVFZSA-N 1 0 393.466 2.640 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)Nc2nnc(C(F)(F)F)s2)CC[C@@H]1C(F)(F)F ZINC000625837894 531915014 /nfs/dbraw/zinc/91/50/14/531915014.db2.gz PNHMNNYRIGDIAG-RITPCOANSA-N 1 0 377.314 2.548 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)Nc2nnc(C(F)(F)F)s2)CC[C@@H]1C(F)(F)F ZINC000625837895 531916082 /nfs/dbraw/zinc/91/60/82/531916082.db2.gz PNHMNNYRIGDIAG-WDSKDSINSA-N 1 0 377.314 2.548 20 0 GFADRO CN1C[C@@H]([NH2+]Cc2cc(Br)cc(Br)c2)CCC1=O ZINC000394541762 563529889 /nfs/dbraw/zinc/52/98/89/563529889.db2.gz WUMVHDCBCUHUCB-LBPRGKRZSA-N 1 0 376.092 2.922 20 0 GFADRO Cc1ccc(CN2C(=O)CC[C@H]2C(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000004711817 204068636 /nfs/dbraw/zinc/06/86/36/204068636.db2.gz PZHLDAGEGASCEN-ZVDOUQERSA-N 1 0 385.552 2.970 20 0 GFADRO Cc1ccccc1[C@H](OC[C@@H](O)C[NH+]1CCC(C(N)=O)CC1)c1ccccc1 ZINC000006559787 204183715 /nfs/dbraw/zinc/18/37/15/204183715.db2.gz FKDZOWDNZWDNSF-RBBKRZOGSA-N 1 0 382.504 2.659 20 0 GFADRO C[C@@H](CNC(=O)CSc1nncn1-c1cccc(Cl)c1)C[NH+]1CCCC1 ZINC000047916612 205113110 /nfs/dbraw/zinc/11/31/10/205113110.db2.gz LQYBOQQRVBUATO-AWEZNQCLSA-N 1 0 393.944 2.861 20 0 GFADRO CC(=O)NC[C@@H]1CCC[N@H+](CC(=O)N(Cc2cccc(F)c2)C(C)(C)C)C1 ZINC000067412993 205246463 /nfs/dbraw/zinc/24/64/63/205246463.db2.gz WHQRLRQXKHAYSJ-SFHVURJKSA-N 1 0 377.504 2.801 20 0 GFADRO CCCOc1c(Br)cc(C[NH2+]CC[C@@]2(O)CCOC2)cc1OC ZINC000404151497 563536242 /nfs/dbraw/zinc/53/62/42/563536242.db2.gz AUGRMDCLWXZASO-QGZVFWFLSA-N 1 0 388.302 2.878 20 0 GFADRO CC(C)[N@@H+]1CCC[C@H](NS(=O)(=O)c2cc(F)ccc2Br)C1 ZINC000435442461 563651019 /nfs/dbraw/zinc/65/10/19/563651019.db2.gz IQWZHWVYLLGAOH-LBPRGKRZSA-N 1 0 379.295 2.739 20 0 GFADRO O=C(c1cc(F)ccc1I)N1CCC2(C1)CC[NH2+]CC2 ZINC000362641855 563707986 /nfs/dbraw/zinc/70/79/86/563707986.db2.gz SEESRYKQEBNQQW-UHFFFAOYSA-N 1 0 388.224 2.646 20 0 GFADRO CC1CC[NH+](CCNS(=O)(=O)c2ccc(F)c(Br)c2)CC1 ZINC000439247259 563720541 /nfs/dbraw/zinc/72/05/41/563720541.db2.gz NBNUBIMFEFCXGB-UHFFFAOYSA-N 1 0 379.295 2.598 20 0 GFADRO CCOc1cc(C[NH2+]CCCS(=O)(=O)CC)cc(Br)c1OC ZINC000414537941 563745698 /nfs/dbraw/zinc/74/56/98/563745698.db2.gz AOOZTCFTLQHGLI-UHFFFAOYSA-N 1 0 394.331 2.771 20 0 GFADRO CCCCNC(=O)NC(=O)C[NH2+][C@@H](C)c1ccc(OC)c(Br)c1 ZINC000007879707 551102060 /nfs/dbraw/zinc/10/20/60/551102060.db2.gz WCNOZCPGDIZEKC-NSHDSACASA-N 1 0 386.290 2.734 20 0 GFADRO CC[NH+]1CCC(N(C)S(=O)(=O)c2ccc(Br)c(C)c2)CC1 ZINC000029455322 551126777 /nfs/dbraw/zinc/12/67/77/551126777.db2.gz DVZOZMJRZFHEBC-UHFFFAOYSA-N 1 0 375.332 2.862 20 0 GFADRO C[C@@H](C1CC1)[N@H+](CC(=O)NCC(=O)Nc1ccccc1Br)C1CC1 ZINC000029725429 551127195 /nfs/dbraw/zinc/12/71/95/551127195.db2.gz JBAGARHDHACHNK-LBPRGKRZSA-N 1 0 394.313 2.767 20 0 GFADRO CCOc1ccc(Br)cc1S(=O)(=O)NC[C@@H](C)[NH+](CC)CC ZINC000032073240 551131189 /nfs/dbraw/zinc/13/11/89/551131189.db2.gz KQKXVKWMCCDBPA-GFCCVEGCSA-N 1 0 393.347 2.856 20 0 GFADRO CC(C)[N@H+](C)CCCNC(=O)[C@@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000041929290 551136817 /nfs/dbraw/zinc/13/68/17/551136817.db2.gz CODHCSKLQCVLTF-CQSZACIVSA-N 1 0 396.329 2.649 20 0 GFADRO CC[NH+](CC)[C@H](C)CNC(=O)COc1ccc(I)cc1 ZINC000041912893 551136864 /nfs/dbraw/zinc/13/68/64/551136864.db2.gz HHIRRBDVBMTUPT-GFCCVEGCSA-N 1 0 390.265 2.517 20 0 GFADRO COCC[N@H+](C)CCCNC(=O)Cc1c(C)[nH]c2ccc(Br)cc21 ZINC000041967639 551137249 /nfs/dbraw/zinc/13/72/49/551137249.db2.gz MUSSGEYHSGSNCN-UHFFFAOYSA-N 1 0 396.329 2.866 20 0 GFADRO CCN1CC[NH+](CCCCNC(=O)Cc2ccc(Br)cc2)CC1 ZINC000042595094 551139762 /nfs/dbraw/zinc/13/97/62/551139762.db2.gz CDOJLHPZZCSFPJ-UHFFFAOYSA-N 1 0 382.346 2.526 20 0 GFADRO CC[NH+]1CCC(NC(=O)c2cnn(-c3ccc(Br)cc3)c2)CC1 ZINC000045059256 551145689 /nfs/dbraw/zinc/14/56/89/551145689.db2.gz SJMKYDLPDPHZQL-UHFFFAOYSA-N 1 0 377.286 2.849 20 0 GFADRO CC(C)(CNC(=O)C(=O)Nc1ccccc1Br)[NH+]1CCCCC1 ZINC000048794380 551157647 /nfs/dbraw/zinc/15/76/47/551157647.db2.gz HQIHNNSJULHVJL-UHFFFAOYSA-N 1 0 382.302 2.768 20 0 GFADRO CC(=O)NC1CC[NH+](CCC(=O)Nc2ccc(Br)cc2F)CC1 ZINC000050991362 551161818 /nfs/dbraw/zinc/16/18/18/551161818.db2.gz VVHBVYGJSMHGMP-UHFFFAOYSA-N 1 0 386.265 2.517 20 0 GFADRO Cc1nc(-c2cccc(Cl)c2)sc1C(=O)NCCN1CC[NH+](C)CC1 ZINC000053718022 551167840 /nfs/dbraw/zinc/16/78/40/551167840.db2.gz ZZDMRFAVWBNCOV-UHFFFAOYSA-N 1 0 378.929 2.749 20 0 GFADRO O=C(c1ccc(-n2cc(Br)cn2)cc1)N1CC[NH+](CC2CC2)CC1 ZINC000055673269 551174324 /nfs/dbraw/zinc/17/43/24/551174324.db2.gz LLVUHFGTZOHXKF-UHFFFAOYSA-N 1 0 389.297 2.803 20 0 GFADRO C[NH+]1CCN(c2ccc(Br)cc2NC(=O)c2ccncc2)CC1 ZINC000057468767 551180338 /nfs/dbraw/zinc/18/03/38/551180338.db2.gz FMRTUVIMVGGDIN-UHFFFAOYSA-N 1 0 375.270 2.848 20 0 GFADRO CC[N@@H+]1CCC[C@@H](CNC(=O)C[C@H]2Sc3ccc(Cl)cc3NC2=O)C1 ZINC000063865625 551184481 /nfs/dbraw/zinc/18/44/81/551184481.db2.gz HWZCGVXRKALVSJ-BLLLJJGKSA-N 1 0 381.929 2.991 20 0 GFADRO O=S(=O)(/C=C/c1ccc(Br)cc1)NC1CC[NH+](C2CC2)CC1 ZINC000066902409 551187861 /nfs/dbraw/zinc/18/78/61/551187861.db2.gz YZFOQONGJCMJTK-FMIVXFBMSA-N 1 0 385.327 2.966 20 0 GFADRO Cc1cc(NC(=O)NC[C@H](O)C[NH+]2CCC(C)CC2)ccc1Br ZINC000067487517 551189470 /nfs/dbraw/zinc/18/94/70/551189470.db2.gz UWPIVGXEXUGAFD-HNNXBMFYSA-N 1 0 384.318 2.972 20 0 GFADRO O=C(c1ccc(Br)c(F)c1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000068332686 551191248 /nfs/dbraw/zinc/19/12/48/551191248.db2.gz IEBMTLUEICYTCW-UHFFFAOYSA-N 1 0 385.277 2.773 20 0 GFADRO C[C@H](CC[NH+](C)C)NC(=O)N1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000068591034 551192266 /nfs/dbraw/zinc/19/22/66/551192266.db2.gz CNNKSMSIUZJDQA-CJNGLKHVSA-N 1 0 384.318 2.872 20 0 GFADRO CN(CC1CC[NH+](C)CC1)C(=O)c1cc(Br)c2c(c1)OCCO2 ZINC000103450868 551197915 /nfs/dbraw/zinc/19/79/15/551197915.db2.gz DSDJHHHNSHURCX-UHFFFAOYSA-N 1 0 383.286 2.634 20 0 GFADRO O=C(CNC(=O)c1ccc(Cl)c(Cl)c1)N1CCC([NH+]2CCCC2)CC1 ZINC000104404712 551198409 /nfs/dbraw/zinc/19/84/09/551198409.db2.gz CMXNOPFYPQOSDW-UHFFFAOYSA-N 1 0 384.307 2.810 20 0 GFADRO C[C@H]1C[NH+](CCCNC(=O)NCc2ccc(Br)cc2)C[C@H](C)O1 ZINC000106524669 551199958 /nfs/dbraw/zinc/19/99/58/551199958.db2.gz XOWYHAOKEPYQJF-KBPBESRZSA-N 1 0 384.318 2.748 20 0 GFADRO C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000112613016 551206012 /nfs/dbraw/zinc/20/60/12/551206012.db2.gz GKAZAAAHAGOJPO-HNNXBMFYSA-N 1 0 380.330 2.750 20 0 GFADRO C[C@@H](CNC(=O)c1cc(=O)c2cc(Br)ccc2[nH]1)[N@H+](C)C1CC1 ZINC000112634813 551206739 /nfs/dbraw/zinc/20/67/39/551206739.db2.gz CAGUCJAEMNQJBH-JTQLQIEISA-N 1 0 378.270 2.503 20 0 GFADRO CN(CC[NH+]1CCCC1)C(=O)N[C@H]1CCN(c2ccccc2Br)C1 ZINC000112750595 551207220 /nfs/dbraw/zinc/20/72/20/551207220.db2.gz VLQIITMEUZVTSM-HNNXBMFYSA-N 1 0 395.345 2.765 20 0 GFADRO CC(C)[C@@H](CNS(=O)(=O)c1cc(Cl)cc(Cl)c1)N1CC[NH+](C)CC1 ZINC000119479505 551216963 /nfs/dbraw/zinc/21/69/63/551216963.db2.gz QOXXXJXYLPECEH-MRXNPFEDSA-N 1 0 394.368 2.544 20 0 GFADRO Cc1cc(C(=O)N2CCC([N@H+](C)CCCO)CC2)c(C)cc1Br ZINC000119517027 551217433 /nfs/dbraw/zinc/21/74/33/551217433.db2.gz AERLTKAMIQCJPV-UHFFFAOYSA-N 1 0 383.330 2.985 20 0 GFADRO Cc1cccc(NC(=O)C(=O)N[C@@H](C)C[NH+]2CCCCC2)c1Br ZINC000120927924 551222905 /nfs/dbraw/zinc/22/29/05/551222905.db2.gz PFILWMLKUBBCCN-ZDUSSCGKSA-N 1 0 382.302 2.687 20 0 GFADRO C[C@@H]([NH2+]C[C@@H](c1cccs1)N(C)C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000121130161 551227787 /nfs/dbraw/zinc/22/77/87/551227787.db2.gz UCMDGQSYRZKUHJ-PBHICJAKSA-N 1 0 381.567 2.952 20 0 GFADRO NC(=O)c1cccc(C[NH2+]Cc2cc(Br)c3c(c2)OCCCO3)c1 ZINC000121223159 551229976 /nfs/dbraw/zinc/22/99/76/551229976.db2.gz ADAQVQGSAXDUEL-UHFFFAOYSA-N 1 0 391.265 2.999 20 0 GFADRO CCC[C@@H]1CN(CC(=O)Nc2ccccc2Br)CC[N@@H+]1CCOC ZINC000121714010 551240974 /nfs/dbraw/zinc/24/09/74/551240974.db2.gz QSBCDFAYXWYBHD-OAHLLOKOSA-N 1 0 398.345 2.820 20 0 GFADRO COc1cc(C)c(Br)cc1S(=O)(=O)NCC1([NH3+])CCCCC1 ZINC000121921181 551292628 /nfs/dbraw/zinc/29/26/28/551292628.db2.gz ZKYQTZVZMZRJJV-UHFFFAOYSA-N 1 0 391.331 2.706 20 0 GFADRO Cc1cc(C[NH2+]CCNS(=O)(=O)c2cccs2)ccc1Br ZINC000122203689 551295413 /nfs/dbraw/zinc/29/54/13/551295413.db2.gz QGBPENNVOCBTKI-UHFFFAOYSA-N 1 0 389.340 2.887 20 0 GFADRO CCN1CC[NH+](C[C@H](C)CNC(=O)CCc2cccc(Br)c2)CC1 ZINC000122387293 551297524 /nfs/dbraw/zinc/29/75/24/551297524.db2.gz MHVRADCUZHKBJW-MRXNPFEDSA-N 1 0 396.373 2.772 20 0 GFADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)CCc2cccc(Br)c2)CC1 ZINC000122387041 551297540 /nfs/dbraw/zinc/29/75/40/551297540.db2.gz MHVRADCUZHKBJW-INIZCTEOSA-N 1 0 396.373 2.772 20 0 GFADRO CC(C)C[N@@H+](Cc1ccccc1Br)C[C@@H](O)CN1CCOCC1 ZINC000122549976 551299625 /nfs/dbraw/zinc/29/96/25/551299625.db2.gz APKOECLMVKCKIW-KRWDZBQOSA-N 1 0 385.346 2.600 20 0 GFADRO C[NH+](C)Cc1ccnc(NC(=O)Cc2cccc(I)c2)c1 ZINC000122561743 551300200 /nfs/dbraw/zinc/30/02/00/551300200.db2.gz FSVYRVUJORXZES-UHFFFAOYSA-N 1 0 395.244 2.929 20 0 GFADRO C[C@H]1C[C@H](N(C)CC(=O)N(C)Cc2ccccc2Br)CC[N@@H+]1C ZINC000123300503 551304841 /nfs/dbraw/zinc/30/48/41/551304841.db2.gz VFAKPWXXJNMKOH-GOEBONIOSA-N 1 0 382.346 2.822 20 0 GFADRO Cc1cc(NC(=O)C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)ccc1Br ZINC000123344503 551305563 /nfs/dbraw/zinc/30/55/63/551305563.db2.gz QDAJNDMVBYHFJY-AWEZNQCLSA-N 1 0 394.313 2.640 20 0 GFADRO O=C(c1csc(I)c1)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000124215981 551312441 /nfs/dbraw/zinc/31/24/41/551312441.db2.gz VXOMPJMZEUHVDQ-PWSUYJOCSA-N 1 0 390.290 2.957 20 0 GFADRO O=C(CC[N@@H+]1CCC[C@H](N2CCCC2=O)C1)Nc1cccc(Br)c1 ZINC000124821012 551318171 /nfs/dbraw/zinc/31/81/71/551318171.db2.gz CQVNPAGYBGQHAC-INIZCTEOSA-N 1 0 394.313 2.865 20 0 GFADRO C[N@@H+]1CCC[C@H]2CN(C(=O)NCc3ccc(O)c(Br)c3)CC[C@@H]21 ZINC000126129029 551326251 /nfs/dbraw/zinc/32/62/51/551326251.db2.gz UKTXMSMVNLDHOP-ZFWWWQNUSA-N 1 0 382.302 2.780 20 0 GFADRO C[C@H]([NH2+]CCc1ccc(S(=O)(=O)N2CCCCC2)s1)c1cnccn1 ZINC000127156395 551337820 /nfs/dbraw/zinc/33/78/20/551337820.db2.gz BPYWIUPWNJXFKI-AWEZNQCLSA-N 1 0 380.539 2.606 20 0 GFADRO CC[C@@H](C)[C@H](C)[N@H+](CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl)C1CC1 ZINC000127307004 551340093 /nfs/dbraw/zinc/34/00/93/551340093.db2.gz LRXCSJCOLIXVCT-NEPJUHHUSA-N 1 0 387.933 2.825 20 0 GFADRO C[C@@H]([NH2+]CCc1ccc(S(=O)(=O)N2CCCCC2)s1)C1CCOCC1 ZINC000127327350 551340242 /nfs/dbraw/zinc/34/02/42/551340242.db2.gz SVNKMTZKUOMQMD-OAHLLOKOSA-N 1 0 386.583 2.870 20 0 GFADRO C[N@H+](CCN1CCOCC1)Cc1ccc(Br)c(Br)c1 ZINC000130719828 551368239 /nfs/dbraw/zinc/36/82/39/551368239.db2.gz UHOQXAZCBDKDHV-UHFFFAOYSA-N 1 0 392.135 2.976 20 0 GFADRO C[C@@H]([NH2+]C[C@@H](O)COCC1CC1)c1ccc(I)cc1 ZINC000130003660 551360534 /nfs/dbraw/zinc/36/05/34/551360534.db2.gz WWTUXPOSSPZRDA-IAQYHMDHSA-N 1 0 375.250 2.729 20 0 GFADRO CCC(=O)N[C@H]1CCC[N@H+](C[C@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000130370104 551364314 /nfs/dbraw/zinc/36/43/14/551364314.db2.gz DDNINLLJKPXGFE-KBPBESRZSA-N 1 0 375.296 2.724 20 0 GFADRO O=C(NCCCC[N@H+]1CCC[C@@H]1CO)C1(c2ccc(Br)cc2)CC1 ZINC000131270507 551373454 /nfs/dbraw/zinc/37/34/54/551373454.db2.gz ULHGBFBQSQBXLQ-QGZVFWFLSA-N 1 0 395.341 2.834 20 0 GFADRO C[N@H+](CCc1ccc(Br)cc1)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000131542168 551374781 /nfs/dbraw/zinc/37/47/81/551374781.db2.gz KVDDSIRHTWWPAX-HNNXBMFYSA-N 1 0 389.359 2.595 20 0 GFADRO CC[C@@]1(C(=O)N2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)CCC[NH2+]1 ZINC000134397941 551385253 /nfs/dbraw/zinc/38/52/53/551385253.db2.gz AFPHJVYLBPUTNW-SFHVURJKSA-N 1 0 384.307 2.810 20 0 GFADRO Cn1cc(NC(=O)NC[C@@H](c2cccs2)[NH+](C)C)cc(Br)c1=O ZINC000136660525 551389836 /nfs/dbraw/zinc/38/98/36/551389836.db2.gz BDSXHPWGJAUTEE-LBPRGKRZSA-N 1 0 399.314 2.634 20 0 GFADRO O=C(NCC1([NH+]2CCCCC2)CCOCC1)c1cccc(Br)n1 ZINC000137037601 551390364 /nfs/dbraw/zinc/39/03/64/551390364.db2.gz RQHMBGFBPCAXKN-UHFFFAOYSA-N 1 0 382.302 2.609 20 0 GFADRO COCC[NH+]1CCC(NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)CC1 ZINC000141594421 551394353 /nfs/dbraw/zinc/39/43/53/551394353.db2.gz VXNUYBRBLDBPEC-LBPRGKRZSA-N 1 0 375.296 2.988 20 0 GFADRO Cc1ccc(NC(=O)N2CCC([N@H+]3CCO[C@@H](C)C3)CC2)c(Br)n1 ZINC000151449910 551413770 /nfs/dbraw/zinc/41/37/70/551413770.db2.gz UKXXPDWXSMXAFI-ZDUSSCGKSA-N 1 0 397.317 2.870 20 0 GFADRO C[C@@H](Sc1nnnn1CC[NH+](C)C)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000151664446 551419181 /nfs/dbraw/zinc/41/91/81/551419181.db2.gz BZOJJJWHRUQUAV-SECBINFHSA-N 1 0 389.312 2.661 20 0 GFADRO C[C@@H](C[NH+]1CCCCC1)NC(=O)Nc1ccc(NS(C)(=O)=O)c(Cl)c1 ZINC000152169547 551427756 /nfs/dbraw/zinc/42/77/56/551427756.db2.gz HOAMJQHPDGVGJP-LBPRGKRZSA-N 1 0 388.921 2.707 20 0 GFADRO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]CCc2nc(C(F)(F)F)cs2)cc1 ZINC000152244820 551429001 /nfs/dbraw/zinc/42/90/01/551429001.db2.gz NHNXZTBVHGBCEA-SNVBAGLBSA-N 1 0 393.456 2.963 20 0 GFADRO COCCC[N@H+](C)CCNC(=O)c1ccc(Br)cc1OC(C)C ZINC000152445525 551433059 /nfs/dbraw/zinc/43/30/59/551433059.db2.gz YVSJEJIVMVWBAC-UHFFFAOYSA-N 1 0 387.318 2.934 20 0 GFADRO C[C@H](O)C[C@@H]1CCC[N@@H+]1CC(=O)N(C)Cc1cc(Br)cs1 ZINC000152647023 551437578 /nfs/dbraw/zinc/43/75/78/551437578.db2.gz JLOLSQMMJJUCGY-AAEUAGOBSA-N 1 0 375.332 2.704 20 0 GFADRO O=C(Cc1ccc(Br)c(F)c1)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000152855736 551441035 /nfs/dbraw/zinc/44/10/35/551441035.db2.gz YEWGOOIGEFHHDI-AWEZNQCLSA-N 1 0 399.304 2.748 20 0 GFADRO Cc1ccc(S(=O)(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)cc1Br ZINC000152888186 551441923 /nfs/dbraw/zinc/44/19/23/551441923.db2.gz AUZHVYIVTKUGKB-BBRMVZONSA-N 1 0 387.343 2.862 20 0 GFADRO C[C@H](c1ccc(Br)cc1)N1CC[NH+](CC2(O)CCOCC2)CC1 ZINC000153052880 551445928 /nfs/dbraw/zinc/44/59/28/551445928.db2.gz SBKGKGGRRSGWIN-OAHLLOKOSA-N 1 0 383.330 2.669 20 0 GFADRO CC[NH+]1CCN([C@H]2CCN(C(=O)c3cc(C)ccc3Br)C2)CC1 ZINC000153100971 551446306 /nfs/dbraw/zinc/44/63/06/551446306.db2.gz MAQAZDNUAQMHOS-HNNXBMFYSA-N 1 0 380.330 2.610 20 0 GFADRO C[C@@H]([NH2+]CCOc1ccc(S(C)(=O)=O)cc1)c1ccc([S@](C)=O)cc1 ZINC000153118846 551446738 /nfs/dbraw/zinc/44/67/38/551446738.db2.gz KNJJLMFDRCYKAK-JBEBIEQOSA-N 1 0 381.519 2.557 20 0 GFADRO FC(F)(F)CN1CCC([NH2+]C[C@@H](c2cccs2)N2CCOCC2)CC1 ZINC000153648135 551457599 /nfs/dbraw/zinc/45/75/99/551457599.db2.gz KIGQPCFYLANWQM-HNNXBMFYSA-N 1 0 377.476 2.738 20 0 GFADRO CSC[C@@](C)(O)C[NH2+][C@@H](C)CC(=O)Nc1ccc(Br)cc1 ZINC000153668624 551457892 /nfs/dbraw/zinc/45/78/92/551457892.db2.gz JILJIFMCYUVCNP-NHYWBVRUSA-N 1 0 375.332 2.870 20 0 GFADRO C[C@@H]1CN(C(=O)c2ccc(I)c(Cl)c2)C[C@@H](C)[NH2+]1 ZINC000154132216 551468234 /nfs/dbraw/zinc/46/82/34/551468234.db2.gz PEBIYFQFWHBKJU-RKDXNWHRSA-N 1 0 378.641 2.767 20 0 GFADRO CS[C@H](CO)[C@H](C)[NH2+][C@@H](C)CC(=O)Nc1cccc(Br)c1 ZINC000154183586 551468989 /nfs/dbraw/zinc/46/89/89/551468989.db2.gz WJEZSMUAYOXKKX-COPLHBTASA-N 1 0 375.332 2.868 20 0 GFADRO C[C@H](COc1ccc2cc(Br)ccc2c1)[NH2+]C[C@@H](O)CN(C)C ZINC000154270510 551470888 /nfs/dbraw/zinc/47/08/88/551470888.db2.gz UCHQHMKTQWSRAT-CXAGYDPISA-N 1 0 381.314 2.882 20 0 GFADRO [NH3+]CC1(NC(=O)c2cc(Cl)ccc2I)CCCC1 ZINC000154324497 551471988 /nfs/dbraw/zinc/47/19/88/551471988.db2.gz BYEFGDLMORRWPD-UHFFFAOYSA-N 1 0 378.641 2.946 20 0 GFADRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(=O)Nc1ccccc1Br ZINC000154373003 551473438 /nfs/dbraw/zinc/47/34/38/551473438.db2.gz OMBLMCLJEZERPI-ZDUSSCGKSA-N 1 0 382.302 2.720 20 0 GFADRO CCN(Cc1cccc(NC(=O)[C@H]([NH3+])CCSC)c1)C(=O)C(F)(F)F ZINC000154463604 551475530 /nfs/dbraw/zinc/47/55/30/551475530.db2.gz JIGMZZQVDISRQQ-CYBMUJFWSA-N 1 0 377.432 2.616 20 0 GFADRO CC[N@H+](CCNC(=O)c1ccc(OC)cc1I)C1CC1 ZINC000154499408 551476561 /nfs/dbraw/zinc/47/65/61/551476561.db2.gz SOJOESVMNXDTFY-UHFFFAOYSA-N 1 0 388.249 2.514 20 0 GFADRO C[C@@H](CNC(=O)c1ccc(Br)c(Cl)c1)C[NH+]1CCN(C)CC1 ZINC000154654981 551480320 /nfs/dbraw/zinc/48/03/20/551480320.db2.gz ICRQMWIXNBQTDP-LBPRGKRZSA-N 1 0 388.737 2.716 20 0 GFADRO Cc1ccc(SCC(F)(F)F)c(NC(=O)C(=O)N(C)CC[NH+](C)C)c1 ZINC000154765234 551482284 /nfs/dbraw/zinc/48/22/84/551482284.db2.gz RFNKCGUVTQDBSX-UHFFFAOYSA-N 1 0 377.432 2.608 20 0 GFADRO [NH3+][C@H]1CCCCCC[C@@H]1C(=O)NCCNC(=O)c1cccc(Br)c1 ZINC000154867597 551484830 /nfs/dbraw/zinc/48/48/30/551484830.db2.gz NTTUFRBZZLEEHJ-HOTGVXAUSA-N 1 0 396.329 2.593 20 0 GFADRO OCCCOC1CC[NH+](C[C@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000154920692 551485639 /nfs/dbraw/zinc/48/56/39/551485639.db2.gz CTSLAAOWIZUAHP-AWEZNQCLSA-N 1 0 378.296 2.597 20 0 GFADRO C[NH+](C)C1(CNC(=O)c2ccc(Br)c(Cl)c2)CCOCC1 ZINC000154921555 551485705 /nfs/dbraw/zinc/48/57/05/551485705.db2.gz MCWWZSOVFUUYER-UHFFFAOYSA-N 1 0 375.694 2.943 20 0 GFADRO CC(C)[NH+](CCNS(=O)(=O)c1cc(F)ccc1Br)C(C)C ZINC000155147142 551492759 /nfs/dbraw/zinc/49/27/59/551492759.db2.gz XJJOLDQYYIMJGK-UHFFFAOYSA-N 1 0 381.311 2.985 20 0 GFADRO C[C@@H](C(=O)NC1CC1)[NH+]1CCC(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000155161897 551493087 /nfs/dbraw/zinc/49/30/87/551493087.db2.gz NGZCVMWWAKKIPR-LBPRGKRZSA-N 1 0 394.313 2.767 20 0 GFADRO CC(C)(C)CNC(=O)C(C)(C)[NH2+]Cc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000155504336 551501570 /nfs/dbraw/zinc/50/15/70/551501570.db2.gz VATGOEZMEGEAKH-UHFFFAOYSA-N 1 0 376.469 2.713 20 0 GFADRO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1ccc(Cl)c(Br)c1 ZINC000155599830 551503398 /nfs/dbraw/zinc/50/33/98/551503398.db2.gz ABJDWBCKWSVHSR-SNVBAGLBSA-N 1 0 390.709 2.888 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)c2c(F)cccc2I)C[N@@H+]1C1CC1 ZINC000155863312 551509619 /nfs/dbraw/zinc/50/96/19/551509619.db2.gz VOSVFEDYIMANGQ-ZJUUUORDSA-N 1 0 388.224 2.785 20 0 GFADRO O[C@H](COc1ccc(Cl)cc1Cl)C[NH+]1CCC(Cn2ccnn2)CC1 ZINC000155900286 551510559 /nfs/dbraw/zinc/51/05/59/551510559.db2.gz MXHXLTSYPBVDSZ-HNNXBMFYSA-N 1 0 385.295 2.737 20 0 GFADRO CN(CC1CC[NH+](C)CC1)S(=O)(=O)c1cc(F)ccc1Br ZINC000155938077 551510980 /nfs/dbraw/zinc/51/09/80/551510980.db2.gz RHHRGZPRVVWVAT-UHFFFAOYSA-N 1 0 379.295 2.551 20 0 GFADRO O[C@@H](COc1c(Cl)cccc1Cl)C[NH+]1CCC(Cn2ccnn2)CC1 ZINC000155916030 551511018 /nfs/dbraw/zinc/51/10/18/551511018.db2.gz TXZVQATWWCAWJD-CQSZACIVSA-N 1 0 385.295 2.737 20 0 GFADRO [NH3+][C@@H](Cc1ccccc1)C(=O)N1CCO[C@@H](c2cccc(Br)c2)C1 ZINC000156168824 551516497 /nfs/dbraw/zinc/51/64/97/551516497.db2.gz RDMYIXWECOQMAI-ZWKOTPCHSA-N 1 0 389.293 2.919 20 0 GFADRO CN(C[C@@H]1CCC[N@H+](C)C1)S(=O)(=O)c1cc(F)ccc1Br ZINC000156209368 551516973 /nfs/dbraw/zinc/51/69/73/551516973.db2.gz MVEALMLUXLYSNQ-LLVKDONJSA-N 1 0 379.295 2.551 20 0 GFADRO C[C@@H]1CCCN(C(=O)c2ccn(-c3cccc(Br)c3)n2)[C@@H]1C[NH3+] ZINC000156976864 551531663 /nfs/dbraw/zinc/53/16/63/551531663.db2.gz ILNRFMVWMULMJT-MLGOLLRUSA-N 1 0 377.286 2.834 20 0 GFADRO C[NH+]1CCN(CCCNC(=O)CCCc2ccccc2Br)CC1 ZINC000157175415 551534438 /nfs/dbraw/zinc/53/44/38/551534438.db2.gz OEXJTUJYDFMCIT-UHFFFAOYSA-N 1 0 382.346 2.526 20 0 GFADRO CCS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)c1 ZINC000157226329 551535510 /nfs/dbraw/zinc/53/55/10/551535510.db2.gz VOCNTXJWVKYEDE-SUMWQHHRSA-N 1 0 384.929 2.690 20 0 GFADRO O=C(C[C@@H]1CCC[NH2+]1)NCCSCCOc1cccc(Br)c1 ZINC000157280751 551535931 /nfs/dbraw/zinc/53/59/31/551535931.db2.gz FDVPKLNZZKGKAU-AWEZNQCLSA-N 1 0 387.343 2.819 20 0 GFADRO C[C@H](Cn1cc(Br)cn1)[NH2+]C[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000157330401 551537024 /nfs/dbraw/zinc/53/70/24/551537024.db2.gz SQGKMTYIAVIIQL-CHWSQXEVSA-N 1 0 387.322 2.881 20 0 GFADRO CS(=O)(=O)N1CCC[C@H](C[NH+]2CCC(Oc3ccccc3Cl)CC2)C1 ZINC000157376382 551537611 /nfs/dbraw/zinc/53/76/11/551537611.db2.gz AQHFXSDLRLJAFH-OAHLLOKOSA-N 1 0 386.945 2.855 20 0 GFADRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)C1CCN(C(=O)c2ccc(Cl)s2)CC1 ZINC000158497290 551552876 /nfs/dbraw/zinc/55/28/76/551552876.db2.gz XFTSMHZFEGHYKK-KBPBESRZSA-N 1 0 383.945 2.887 20 0 GFADRO C[C@@H](C(=O)NCCCC[NH+]1CCN(C)CC1)c1ccc(Br)cc1 ZINC000158620571 551554492 /nfs/dbraw/zinc/55/44/92/551554492.db2.gz DMINAQRLXBVJTI-OAHLLOKOSA-N 1 0 382.346 2.696 20 0 GFADRO CC[C@@H]([NH2+]C1CCN(S(=O)(=O)c2c(C)n[nH]c2C)CC1)c1cccs1 ZINC000158709169 551555646 /nfs/dbraw/zinc/55/56/46/551555646.db2.gz MOHRLFLYCJYQLQ-OAHLLOKOSA-N 1 0 382.555 2.982 20 0 GFADRO CN(CCC[NH3+])C(=O)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000158857668 551557952 /nfs/dbraw/zinc/55/79/52/551557952.db2.gz SYOPYDHKFNOXCG-UHFFFAOYSA-N 1 0 378.826 2.777 20 0 GFADRO C[C@@H](CNC(=O)c1cncc(I)c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000159156435 551561195 /nfs/dbraw/zinc/56/11/95/551561195.db2.gz GWLVMTMWVZQMQE-NEPJUHHUSA-N 1 0 387.265 2.536 20 0 GFADRO O=S(=O)(NCCCC[N@H+]1CCC[C@H]1CO)c1cc(Cl)cc(Cl)c1 ZINC000161724097 551597806 /nfs/dbraw/zinc/59/78/06/551597806.db2.gz XGUCGQKRTHSDRS-AWEZNQCLSA-N 1 0 381.325 2.509 20 0 GFADRO CCCN(C1CC[NH2+]CC1)S(=O)(=O)c1ccc(Br)cc1F ZINC000161897734 551599843 /nfs/dbraw/zinc/59/98/43/551599843.db2.gz LAZQWQWIBHUFIO-UHFFFAOYSA-N 1 0 379.295 2.741 20 0 GFADRO NC(=O)[C@@H]([NH2+]C[C@@H]1CC(=O)Nc2ccccc21)c1cccc(Br)c1 ZINC000162229937 551605497 /nfs/dbraw/zinc/60/54/97/551605497.db2.gz YMXSOIIVBDUHJJ-SJCJKPOMSA-N 1 0 388.265 2.691 20 0 GFADRO CCc1nn(C)c(CC)c1C[NH2+]CCNC(=O)c1cccc(Br)c1 ZINC000162440764 551608397 /nfs/dbraw/zinc/60/83/97/551608397.db2.gz JTRQINMSWJIWLH-UHFFFAOYSA-N 1 0 393.329 2.827 20 0 GFADRO CN1CCN(C(=O)Cc2csc(-c3ccc(Cl)cc3Cl)n2)[C@H](C[NH3+])C1 ZINC000162562295 551609744 /nfs/dbraw/zinc/60/97/44/551609744.db2.gz VXBBTBRQRSKKBO-CYBMUJFWSA-N 1 0 399.347 2.761 20 0 GFADRO CCCC[C@H](C[NH3+])NC(=O)[C@H](NC(=O)c1ccccc1Br)C(C)C ZINC000162783095 551612615 /nfs/dbraw/zinc/61/26/15/551612615.db2.gz HPIZSXBSIHGGHK-CZUORRHYSA-N 1 0 398.345 2.837 20 0 GFADRO C[N@H+](CCO)C1CCN(C(=O)N[C@H]2CCc3c2cccc3Br)CC1 ZINC000162848351 551613328 /nfs/dbraw/zinc/61/33/28/551613328.db2.gz WHKGRSZMHXMSPX-KRWDZBQOSA-N 1 0 396.329 2.535 20 0 GFADRO C[C@H](NC(=O)[C@@H]1CC[C@H]([NH3+])C1)c1nc(-c2ccc(Br)cc2)no1 ZINC000163131559 551616677 /nfs/dbraw/zinc/61/66/77/551616677.db2.gz JBOLUGIQQHHNGD-NDMJEZRESA-N 1 0 379.258 2.804 20 0 GFADRO O=C(CSc1cccc(Br)c1)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000163697190 551621759 /nfs/dbraw/zinc/62/17/59/551621759.db2.gz LHCNZZHBWOXCRR-CQSZACIVSA-N 1 0 399.354 2.722 20 0 GFADRO C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000170742782 551638519 /nfs/dbraw/zinc/63/85/19/551638519.db2.gz IWTXDHWUIOBBQT-YJBOKZPZSA-N 1 0 394.357 2.966 20 0 GFADRO COCC[N@H+](C)CCNC(=O)c1sc2nc(C(F)(F)F)ccc2c1C ZINC000171128437 551648000 /nfs/dbraw/zinc/64/80/00/551648000.db2.gz YKJZFKIAZZSASE-UHFFFAOYSA-N 1 0 375.416 2.932 20 0 GFADRO O=C(NCC[NH+]1CCCC1)c1ccc(I)cc1Cl ZINC000171194800 551649115 /nfs/dbraw/zinc/64/91/15/551649115.db2.gz GRYWIUPYTHDVQP-UHFFFAOYSA-N 1 0 378.641 2.770 20 0 GFADRO COCCC[NH+]1CCC(NC(=O)NCc2cc(Br)cs2)CC1 ZINC000171198641 551649571 /nfs/dbraw/zinc/64/95/71/551649571.db2.gz CSOGJVHUJULMIB-UHFFFAOYSA-N 1 0 390.347 2.811 20 0 GFADRO C[C@H]1CCCC[C@H]1[NH2+]CC(=O)NCC(=O)Nc1ccccc1Br ZINC000171414687 551655145 /nfs/dbraw/zinc/65/51/45/551655145.db2.gz JVBJANHLYUXZNU-GXTWGEPZSA-N 1 0 382.302 2.672 20 0 GFADRO O=C(NCCC[NH+]1CCCC1)c1cnn(-c2cccc(Br)c2)c1 ZINC000171533370 551657650 /nfs/dbraw/zinc/65/76/50/551657650.db2.gz IGMGXFBTCNAQCV-UHFFFAOYSA-N 1 0 377.286 2.851 20 0 GFADRO O=C(CC[N@@H+]1CCC[C@@H](C2OCCO2)C1)Nc1ccc(Br)cc1 ZINC000171668789 551660839 /nfs/dbraw/zinc/66/08/39/551660839.db2.gz OYEHALDPXQDTEX-CYBMUJFWSA-N 1 0 383.286 2.863 20 0 GFADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000171749520 551662719 /nfs/dbraw/zinc/66/27/19/551662719.db2.gz OSQUMZPWDQOQPH-LLVKDONJSA-N 1 0 376.835 2.699 20 0 GFADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCc2c(Br)cccc2C1 ZINC000171908545 551666364 /nfs/dbraw/zinc/66/63/64/551666364.db2.gz ORFXKWWVSHNJBB-HNNXBMFYSA-N 1 0 396.329 2.628 20 0 GFADRO CC[C@H](C)C[N@H+](C)CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000171950521 551667336 /nfs/dbraw/zinc/66/73/36/551667336.db2.gz OFIMYPMRIIXMIB-LBPRGKRZSA-N 1 0 375.922 2.507 20 0 GFADRO C[NH+](C)C[C@@H]1CCN(C(=O)c2ccc(Cl)c(I)c2)C1 ZINC000172170751 551671789 /nfs/dbraw/zinc/67/17/89/551671789.db2.gz YERKENIDGCRQHW-JTQLQIEISA-N 1 0 392.668 2.968 20 0 GFADRO O=C(CN1CC[NH+](CC2CCOCC2)CC1)Nc1c(Cl)cccc1Cl ZINC000172429459 551679027 /nfs/dbraw/zinc/67/90/27/551679027.db2.gz LOYQTEDWDRACJL-UHFFFAOYSA-N 1 0 386.323 2.976 20 0 GFADRO O=C(Nc1ccc(Br)cc1)C(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000172647668 551683997 /nfs/dbraw/zinc/68/39/97/551683997.db2.gz VMQLVNAYUUEVIX-UHFFFAOYSA-N 1 0 394.313 2.865 20 0 GFADRO COCC[NH+]1CCC(N[C@@H](C)C(=O)Nc2ccc(C)cc2Br)CC1 ZINC000172807117 551686891 /nfs/dbraw/zinc/68/68/91/551686891.db2.gz XIJWUMWYCMSVCZ-AWEZNQCLSA-N 1 0 398.345 2.785 20 0 GFADRO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)c1c[nH]c(=O)c(Br)c1 ZINC000172982165 551691671 /nfs/dbraw/zinc/69/16/71/551691671.db2.gz JBVGPNHPBPUYHR-INIZCTEOSA-N 1 0 390.281 2.704 20 0 GFADRO C[C@H](NC(=O)CCNC(=O)c1ccc(Br)cc1)C(C)(C)C[NH+](C)C ZINC000173053368 551693874 /nfs/dbraw/zinc/69/38/74/551693874.db2.gz LHOKSAWBHLGEDV-ZDUSSCGKSA-N 1 0 398.345 2.662 20 0 GFADRO Cc1cc(Cl)cc(NC(=O)C(=O)N2CC[C@H]([C@H](C)[NH3+])C2)c1Br ZINC000415581845 563785858 /nfs/dbraw/zinc/78/58/58/563785858.db2.gz SXZHJCRLBDAYJO-UWVGGRQHSA-N 1 0 388.693 2.545 20 0 GFADRO COc1ccc(NC(=O)N2CC[C@](C)(C[NH3+])C2)c(I)c1 ZINC000415601250 563786882 /nfs/dbraw/zinc/78/68/82/563786882.db2.gz VPFMKOWNZFEIGZ-CQSZACIVSA-N 1 0 389.237 2.502 20 0 GFADRO [NH3+][C@H]1CCC[C@@H](CNC(=O)C(=O)Nc2cccc(Br)c2Cl)C1 ZINC000415811731 563797382 /nfs/dbraw/zinc/79/73/82/563797382.db2.gz PCLZJTACZCWKDD-ZJUUUORDSA-N 1 0 388.693 2.675 20 0 GFADRO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)c2c[nH]c(=O)c(Br)c2)C1 ZINC000173108494 552077985 /nfs/dbraw/zinc/07/79/85/552077985.db2.gz KWQPUYAGPHZFHU-STQMWFEESA-N 1 0 384.318 2.625 20 0 GFADRO C[NH+](C)CCN(CC1CCCCC1)C(=O)c1c[nH]c(=O)c(Br)c1 ZINC000173207477 552079496 /nfs/dbraw/zinc/07/94/96/552079496.db2.gz CQWFVHIFEZHNAO-UHFFFAOYSA-N 1 0 384.318 2.722 20 0 GFADRO O=C(Nc1ccc(Br)cc1Cl)C(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000173223434 552080143 /nfs/dbraw/zinc/08/01/43/552080143.db2.gz BZHZDOIHQBYIFZ-GFCCVEGCSA-N 1 0 398.688 2.514 20 0 GFADRO C[C@@H](CNC(=O)NCCc1ccc(Cl)cc1Cl)C[NH+]1CCN(C)CC1 ZINC000173309964 552082907 /nfs/dbraw/zinc/08/29/07/552082907.db2.gz BQSDQPIQEMPZLI-AWEZNQCLSA-N 1 0 387.355 2.719 20 0 GFADRO COc1c(Br)c(C)sc1C(=O)NCC1([NH+](C)C)CCOCC1 ZINC000173460578 552085710 /nfs/dbraw/zinc/08/57/10/552085710.db2.gz CDCWMZCWGYOAGV-UHFFFAOYSA-N 1 0 391.331 2.668 20 0 GFADRO CC(C)[NH+](CCCNC(=O)c1ccc(Cl)c(NS(C)(=O)=O)c1)C(C)C ZINC000173611574 552089112 /nfs/dbraw/zinc/08/91/12/552089112.db2.gz XZGJIJCZTGJYTI-UHFFFAOYSA-N 1 0 389.949 2.950 20 0 GFADRO CC[NH+](CC)C[C@H]1CCN(C(=O)C(=O)Nc2ccc(C)cc2Br)C1 ZINC000173610759 552089118 /nfs/dbraw/zinc/08/91/18/552089118.db2.gz OWDDRKANTWMJRN-CQSZACIVSA-N 1 0 396.329 2.886 20 0 GFADRO CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2ccc(C)c(Br)c2)C1 ZINC000173649111 552089911 /nfs/dbraw/zinc/08/99/11/552089911.db2.gz RILCPGGSTIUUPS-CQSZACIVSA-N 1 0 396.329 2.886 20 0 GFADRO CSc1ccc(S(=O)(=O)N2CCC(OCC[NH+]3CCCC3)CC2)cc1 ZINC000173853113 552094178 /nfs/dbraw/zinc/09/41/78/552094178.db2.gz USSNUSWCRZDQQG-UHFFFAOYSA-N 1 0 384.567 2.674 20 0 GFADRO CC[N@H+](C)C[C@@H]1CCN(CC(=O)N(C)Cc2cc(Br)cs2)C1 ZINC000173896919 552095368 /nfs/dbraw/zinc/09/53/68/552095368.db2.gz GKZRFJCLHAAQFG-ZDUSSCGKSA-N 1 0 388.375 2.743 20 0 GFADRO O[C@@H](COc1cc(Cl)ccc1Cl)C[N@@H+]1CCC[C@@H]1CN1CCOCC1 ZINC000174021429 552096844 /nfs/dbraw/zinc/09/68/44/552096844.db2.gz QFQIQBHTVQVVGR-HZPDHXFCSA-N 1 0 389.323 2.530 20 0 GFADRO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N(C)Cc1nc(C(F)(F)F)cs1 ZINC000174101194 552099084 /nfs/dbraw/zinc/09/90/84/552099084.db2.gz AKLVFPHZAWTJAU-CQSZACIVSA-N 1 0 379.448 2.914 20 0 GFADRO COCCOC[C@@H]1CC[N@H+](C[C@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000174112405 552099825 /nfs/dbraw/zinc/09/98/25/552099825.db2.gz ADYPMZBIDKXSJZ-HIFRSBDPSA-N 1 0 378.296 2.718 20 0 GFADRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2cc(OC)c(Br)c(OC)c2)C1 ZINC000174507636 552105709 /nfs/dbraw/zinc/10/57/09/552105709.db2.gz DNKQKPJYPUASRZ-GFCCVEGCSA-N 1 0 385.302 2.880 20 0 GFADRO CCC[N@H+](CC)CCNC(=O)c1cc(=O)[nH]c2ccc(Br)cc21 ZINC000174642080 552107404 /nfs/dbraw/zinc/10/74/04/552107404.db2.gz PHFATYSBSWSHID-UHFFFAOYSA-N 1 0 380.286 2.752 20 0 GFADRO Cc1nc(SCCC(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)n[nH]1 ZINC000174676011 552108155 /nfs/dbraw/zinc/10/81/55/552108155.db2.gz KXFUMIJKKFERRJ-AWEZNQCLSA-N 1 0 379.555 2.685 20 0 GFADRO CC[NH+](CC)CCCNC(=O)C1CCN(c2cncc(Br)c2)CC1 ZINC000174682390 552108647 /nfs/dbraw/zinc/10/86/47/552108647.db2.gz NWABCDJLQBCNTO-UHFFFAOYSA-N 1 0 397.361 2.909 20 0 GFADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)NCc2ccc(Br)cc2)CC1 ZINC000174781403 552110031 /nfs/dbraw/zinc/11/00/31/552110031.db2.gz GDBQFMCFBDQNHB-HNNXBMFYSA-N 1 0 397.361 2.522 20 0 GFADRO C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)[C@@H]1SCCc2sccc21 ZINC000175220910 552117800 /nfs/dbraw/zinc/11/78/00/552117800.db2.gz KVWQVWIPHMFWRQ-MRXNPFEDSA-N 1 0 375.519 2.878 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000175390411 552120852 /nfs/dbraw/zinc/12/08/52/552120852.db2.gz UROKLCSGWJLWLO-AWEZNQCLSA-N 1 0 384.567 2.561 20 0 GFADRO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NCCOc1ccc(Br)cc1 ZINC000175759357 552128742 /nfs/dbraw/zinc/12/87/42/552128742.db2.gz SKUUTTDEWSVBGB-KRWDZBQOSA-N 1 0 399.329 2.737 20 0 GFADRO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)C(=O)Nc1nc(C)cs1 ZINC000176110364 552135904 /nfs/dbraw/zinc/13/59/04/552135904.db2.gz ZDCIUGWYGWZWMP-UHFFFAOYSA-N 1 0 380.436 2.513 20 0 GFADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cc(Cl)c(Cl)cc3OC)C2)CC1 ZINC000176531762 552140866 /nfs/dbraw/zinc/14/08/66/552140866.db2.gz BBDBKFVCABUARO-CYBMUJFWSA-N 1 0 386.323 2.854 20 0 GFADRO O=C(Nc1cc(F)ccc1Br)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000176714025 552144628 /nfs/dbraw/zinc/14/46/28/552144628.db2.gz QBCFXVNRCKBSHV-GFCCVEGCSA-N 1 0 386.265 2.774 20 0 GFADRO O=C(NCCCC[NH+]1CCN(c2ccccc2)CC1)[C@H]1CSCCS1 ZINC000177001420 552149528 /nfs/dbraw/zinc/14/95/28/552149528.db2.gz BPMHHIHMOSVXKJ-GOSISDBHSA-N 1 0 379.595 2.554 20 0 GFADRO C[C@H]1C[C@H](NC(=O)NCCOc2cccc(Br)c2)C[N@@H+]1C1CC1 ZINC000177666114 552156708 /nfs/dbraw/zinc/15/67/08/552156708.db2.gz YKGWETBGRWNCBQ-JSGCOSHPSA-N 1 0 382.302 2.752 20 0 GFADRO CCC[N@H+](CC)CCNC(=O)c1cc(=O)[nH]c2c(Br)cccc12 ZINC000177692032 552157271 /nfs/dbraw/zinc/15/72/71/552157271.db2.gz VJNJDPGUWHREHR-UHFFFAOYSA-N 1 0 380.286 2.752 20 0 GFADRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)c2cc(=O)[nH]c3c(Br)cccc23)C1 ZINC000177725314 552157540 /nfs/dbraw/zinc/15/75/40/552157540.db2.gz KLLARYLIULZDKS-RYUDHWBXSA-N 1 0 392.297 2.893 20 0 GFADRO COc1ccc(C(=O)NCCC[NH+]2CCCC2)cc1I ZINC000177946588 552161050 /nfs/dbraw/zinc/16/10/50/552161050.db2.gz WPUQWUQAVMHEAJ-UHFFFAOYSA-N 1 0 388.249 2.516 20 0 GFADRO Cc1ccc(NC(=O)C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)cc1Br ZINC000178023921 552162833 /nfs/dbraw/zinc/16/28/33/552162833.db2.gz JNLUQLSXXUVUPC-JSGCOSHPSA-N 1 0 382.302 2.685 20 0 GFADRO C[C@H](CNC(=O)N[C@@H](CO)c1cccc(Br)c1)[NH+]1CCC(C)CC1 ZINC000178023135 552162845 /nfs/dbraw/zinc/16/28/45/552162845.db2.gz FPMNCXDUDLSLFQ-PBHICJAKSA-N 1 0 398.345 2.902 20 0 GFADRO O=C(CCc1cc(Br)cs1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000178111618 552164347 /nfs/dbraw/zinc/16/43/47/552164347.db2.gz QGFLVMJWLJTFSI-ZDUSSCGKSA-N 1 0 387.343 2.624 20 0 GFADRO C[NH+](C)C1CCN(C(=O)C(=O)Nc2cc(Cl)ccc2Br)CC1 ZINC000178186097 552166337 /nfs/dbraw/zinc/16/63/37/552166337.db2.gz NOMFACGMLHNJEN-UHFFFAOYSA-N 1 0 388.693 2.594 20 0 GFADRO C[NH+](C)C1CCN(C(=O)C(=O)Nc2ccc(Br)c(Cl)c2)CC1 ZINC000178800710 552175243 /nfs/dbraw/zinc/17/52/43/552175243.db2.gz WMLXTWXVYDTUBF-UHFFFAOYSA-N 1 0 388.693 2.594 20 0 GFADRO O=C(Cc1csc(-c2cccc(Br)c2)n1)NC[C@@H]1CCC[NH2+]1 ZINC000178777922 552174915 /nfs/dbraw/zinc/17/49/15/552174915.db2.gz XMXSAHAKLJCAJU-ZDUSSCGKSA-N 1 0 380.311 2.983 20 0 GFADRO C[C@H](C[NH3+])N(C)S(=O)(=O)c1csc(-c2ccc(Br)cc2)n1 ZINC000178959138 552180986 /nfs/dbraw/zinc/18/09/86/552180986.db2.gz XXIMCQXANFBZLV-SECBINFHSA-N 1 0 390.328 2.540 20 0 GFADRO COCCC[N@H+](C)CCNC(=O)NC(C)(C)c1ccccc1Br ZINC000178988205 552181407 /nfs/dbraw/zinc/18/14/07/552181407.db2.gz QMRZFWIDNKDDAN-UHFFFAOYSA-N 1 0 386.334 2.952 20 0 GFADRO CN(C(=O)CCCCc1ccc(I)cc1)[C@@H]1CC[NH2+]C1 ZINC000179114065 552184244 /nfs/dbraw/zinc/18/42/44/552184244.db2.gz MIZUZXIXLKWPGZ-OAHLLOKOSA-N 1 0 386.277 2.824 20 0 GFADRO COCCNS(=O)(=O)c1cccc(C[NH2+][C@@H](C)c2ccc(Cl)nc2)c1 ZINC000179128510 552184932 /nfs/dbraw/zinc/18/49/32/552184932.db2.gz NNXLMEYEUXWWCJ-ZDUSSCGKSA-N 1 0 383.901 2.511 20 0 GFADRO COC(=O)C[C@@H]1CCC[N@@H+]1CCC(=O)Nc1ccc(Br)cc1F ZINC000179136281 552185044 /nfs/dbraw/zinc/18/50/44/552185044.db2.gz YLICXSGCWFDSPH-LBPRGKRZSA-N 1 0 387.249 2.944 20 0 GFADRO C[C@H](NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1ncc(Br)s1 ZINC000179201945 552186946 /nfs/dbraw/zinc/18/69/46/552186946.db2.gz UVZDFZSDLGGUTP-SWLSCSKDSA-N 1 0 396.354 2.975 20 0 GFADRO CCc1nn(C)cc1C(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000180051395 552211040 /nfs/dbraw/zinc/21/10/40/552211040.db2.gz FWTQABVQWLPLJU-UHFFFAOYSA-N 1 0 393.329 2.949 20 0 GFADRO CC[N@H+](C)C[C@H]1CCN(C(=O)/C=C/c2cc(Br)c(O)c(OC)c2)C1 ZINC000180092007 552212895 /nfs/dbraw/zinc/21/28/95/552212895.db2.gz JJPMGWSFGHLLJD-VBROQKIQSA-N 1 0 397.313 2.977 20 0 GFADRO Cc1cc(Br)ccc1CC(=O)NCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000180145610 552215050 /nfs/dbraw/zinc/21/50/50/552215050.db2.gz RUKSWQJHDJMZDD-GJZGRUSLSA-N 1 0 383.330 2.916 20 0 GFADRO CC(C)[NH2+]C1CCN(C(=O)C(=O)Nc2ccc(Br)c(F)c2)CC1 ZINC000180353805 552223739 /nfs/dbraw/zinc/22/37/39/552223739.db2.gz IEUYDPJGZRCTRG-UHFFFAOYSA-N 1 0 386.265 2.516 20 0 GFADRO C[C@@H]([NH2+][C@@H](C)CN1CCOCC1)c1cc2c(cc1Br)OCCO2 ZINC000180484647 552227594 /nfs/dbraw/zinc/22/75/94/552227594.db2.gz YPRAIJXFFDPOGF-QWHCGFSZSA-N 1 0 385.302 2.592 20 0 GFADRO Cc1cc(Br)ccc1C[N@@H+](C)C1CCN(S(C)(=O)=O)CC1 ZINC000180630781 552231774 /nfs/dbraw/zinc/23/17/74/552231774.db2.gz OYXCPVMFKMMNEV-UHFFFAOYSA-N 1 0 375.332 2.613 20 0 GFADRO Cc1cc(C[N@@H+](C)C2CCN(S(C)(=O)=O)CC2)c(OC(F)F)cc1C ZINC000180630702 552231875 /nfs/dbraw/zinc/23/18/75/552231875.db2.gz PCCFMEPSDUWVOA-UHFFFAOYSA-N 1 0 376.469 2.761 20 0 GFADRO COC(C[N@H+](CCCO)Cc1cc(Br)cc2cccnc21)OC ZINC000180644602 552232168 /nfs/dbraw/zinc/23/21/68/552232168.db2.gz AMHQPCHTEPHKBA-UHFFFAOYSA-N 1 0 383.286 2.801 20 0 GFADRO CC(C)N1CC[C@H]([NH2+][C@@H](C)CC(=O)Nc2cccc(Br)c2)C1=O ZINC000180905574 552239549 /nfs/dbraw/zinc/23/95/49/552239549.db2.gz IQLMQKLNDIMGBO-WFASDCNBSA-N 1 0 382.302 2.765 20 0 GFADRO Cc1nn(C)c(Cl)c1S(=O)(=O)N1C[C@@H]2CCC[N@@H+]2Cc2ccccc21 ZINC000180954498 552241190 /nfs/dbraw/zinc/24/11/90/552241190.db2.gz DSRJFNFKUNBGNC-AWEZNQCLSA-N 1 0 380.901 2.555 20 0 GFADRO Cc1cc(Br)ccc1CC(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000181254107 552251352 /nfs/dbraw/zinc/25/13/52/552251352.db2.gz QFVFLHCUCFFQPA-UHFFFAOYSA-N 1 0 395.341 2.871 20 0 GFADRO CC1(CNC(=O)c2nn(-c3ccc(F)cc3)cc2Br)CC[NH2+]CC1 ZINC000181283517 552252251 /nfs/dbraw/zinc/25/22/51/552252251.db2.gz YBPMDFDLJRPNTN-UHFFFAOYSA-N 1 0 395.276 2.893 20 0 GFADRO CS(=O)(=O)[C@H]1CCCC[C@@H]1[NH2+]CCNc1cccc(Br)c1 ZINC000181357405 552254154 /nfs/dbraw/zinc/25/41/54/552254154.db2.gz PWZGNRYERISHIR-GJZGRUSLSA-N 1 0 375.332 2.806 20 0 GFADRO C[C@H](Cn1cc(Br)cn1)[NH2+][C@@H](C)c1ccc(-n2ccnn2)cc1 ZINC000181747265 552266918 /nfs/dbraw/zinc/26/69/18/552266918.db2.gz CXJRTHUCNKXRHI-OLZOCXBDSA-N 1 0 375.274 2.966 20 0 GFADRO Cc1cccc(Cl)c1NC(=O)CN[C@@H](CS(C)(=O)=O)c1ccccc1 ZINC000181790824 552267705 /nfs/dbraw/zinc/26/77/05/552267705.db2.gz OJQCVQCPAAEFKU-INIZCTEOSA-N 1 0 380.897 2.962 20 0 GFADRO C[C@@H]([NH2+][C@@H](CC(N)=O)C1CCOCC1)C(=O)Nc1cc(Cl)ccc1Cl ZINC000181947262 552271659 /nfs/dbraw/zinc/27/16/59/552271659.db2.gz JFPSXKAOSWOFBW-YGRLFVJLSA-N 1 0 388.295 2.581 20 0 GFADRO C[C@H]([NH2+]C[C@H]1CCCN(S(C)(=O)=O)C1)c1ccc(OC(F)(F)F)cc1 ZINC000182514993 552286658 /nfs/dbraw/zinc/28/66/58/552286658.db2.gz RCOPBKQZXBZOJT-QWHCGFSZSA-N 1 0 380.432 2.907 20 0 GFADRO C[C@H]([NH2+]CCN1C(=O)NC2(CCCC2)C1=O)c1cccc(Br)c1 ZINC000182574897 552287736 /nfs/dbraw/zinc/28/77/36/552287736.db2.gz PUSFXYLRZFJDES-LBPRGKRZSA-N 1 0 380.286 2.964 20 0 GFADRO O=C(NC1CC[NH+](Cc2cccnc2)CC1)c1cccc(Br)n1 ZINC000182630680 552289509 /nfs/dbraw/zinc/28/95/09/552289509.db2.gz TXBOLPQYNXRECX-UHFFFAOYSA-N 1 0 375.270 2.634 20 0 GFADRO CCOC(=O)C[C@@H](C)[N@H+](C)CC(=O)N(C)Cc1cc(Br)cs1 ZINC000182673598 552289975 /nfs/dbraw/zinc/28/99/75/552289975.db2.gz RDHZPMBHCMZLNP-LLVKDONJSA-N 1 0 391.331 2.743 20 0 GFADRO CC[NH+]1CCC(CCNS(=O)(=O)c2ccc(OCC(F)F)cc2)CC1 ZINC000182704293 552291225 /nfs/dbraw/zinc/29/12/25/552291225.db2.gz ZUXWPGBKSLYPCW-UHFFFAOYSA-N 1 0 376.469 2.731 20 0 GFADRO Cc1cc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2cccc(S(N)(=O)=O)c2)c(C)s1 ZINC000182983273 552298038 /nfs/dbraw/zinc/29/80/38/552298038.db2.gz SYZOHHPETHGCBO-RYUDHWBXSA-N 1 0 381.523 2.690 20 0 GFADRO COc1ccc(C(=O)N2CCC(C[NH+]3CCCC3)CC2)nc1Br ZINC000183117095 552300972 /nfs/dbraw/zinc/30/09/72/552300972.db2.gz DKKHYBODFZGHRT-UHFFFAOYSA-N 1 0 382.302 2.801 20 0 GFADRO C[NH2+]CC1CCN(S(=O)(=O)c2ccc(Br)c(Cl)c2)CC1 ZINC000183157697 552302182 /nfs/dbraw/zinc/30/21/82/552302182.db2.gz MQWWDAADTFPWEP-UHFFFAOYSA-N 1 0 381.723 2.723 20 0 GFADRO Cc1c([C@H](C)[NH2+]CCS(=O)(=O)c2cccc(Br)c2)cnn1C ZINC000183326420 552306126 /nfs/dbraw/zinc/30/61/26/552306126.db2.gz GPXFAIXINAYJRJ-NSHDSACASA-N 1 0 386.315 2.616 20 0 GFADRO CC1(CNC(=O)c2cnn(-c3ccc(Br)cc3)c2)CC[NH2+]CC1 ZINC000183385091 552308087 /nfs/dbraw/zinc/30/80/87/552308087.db2.gz QBRJFCAPLODBLE-UHFFFAOYSA-N 1 0 377.286 2.754 20 0 GFADRO COc1cc(/C=C/C(=O)N2CCC[C@H]([NH+](C)C)C2)cc(Br)c1O ZINC000183550527 552312719 /nfs/dbraw/zinc/31/27/19/552312719.db2.gz AGUJQMHPQPFDIT-YBJDMEARSA-N 1 0 383.286 2.729 20 0 GFADRO CNc1nnc(CC(=O)Nc2ccc(C[NH+]3CCSCC3)cc2C)s1 ZINC000183548830 552313000 /nfs/dbraw/zinc/31/30/00/552313000.db2.gz OPDOQVDWCLOZON-UHFFFAOYSA-N 1 0 377.539 2.618 20 0 GFADRO CC1(C)COCCN1CC[NH2+]Cc1cn(-c2ccc(Cl)c(Cl)c2)nn1 ZINC000183727883 552318246 /nfs/dbraw/zinc/31/82/46/552318246.db2.gz WAVLKLQUXQDPIU-UHFFFAOYSA-N 1 0 384.311 2.775 20 0 GFADRO CN1CC[NH+](CCC(C)(C)NC(=O)c2cc(F)cc(Br)c2)CC1 ZINC000184169347 552328458 /nfs/dbraw/zinc/32/84/58/552328458.db2.gz DFFGVQKKCFKKCP-UHFFFAOYSA-N 1 0 386.309 2.734 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)N[C@@H](C)CC[NH+]1CCN(C)CC1 ZINC000184146535 552328474 /nfs/dbraw/zinc/32/84/74/552328474.db2.gz OQHDPIZQKJFUMP-AWEZNQCLSA-N 1 0 383.334 2.905 20 0 GFADRO O=S(=O)(c1ccc(Br)cc1F)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000184206281 552329795 /nfs/dbraw/zinc/32/97/95/552329795.db2.gz IOOROGMPTNZKTK-CYBMUJFWSA-N 1 0 391.306 2.837 20 0 GFADRO C[C@@H](CNC(=O)C(=O)Nc1cc(Cl)cc(C(F)(F)F)c1)[N@H+](C)C1CC1 ZINC000184315868 552332155 /nfs/dbraw/zinc/33/21/55/552332155.db2.gz QRYFWJWIVCSTQY-VIFPVBQESA-N 1 0 377.794 2.896 20 0 GFADRO CCc1nc([C@H](C)[NH2+]CCOc2ccc(S(=O)(=O)N(C)C)cc2)cs1 ZINC000184681225 552342265 /nfs/dbraw/zinc/34/22/65/552342265.db2.gz KXCQGZVSGADLBN-ZDUSSCGKSA-N 1 0 383.539 2.685 20 0 GFADRO Brc1cc2c(c(CN3CC[NH+](C[C@H]4CCOC4)CC3)c1)OCC2 ZINC000184868879 552346642 /nfs/dbraw/zinc/34/66/42/552346642.db2.gz NPDRXEYPJPWZRB-CQSZACIVSA-N 1 0 381.314 2.538 20 0 GFADRO COc1cc(C[NH2+]CC2(CCO)CC2)cc(I)c1OC ZINC000186175174 552381239 /nfs/dbraw/zinc/38/12/39/552381239.db2.gz ARJZSULXIZPXKX-UHFFFAOYSA-N 1 0 391.249 2.561 20 0 GFADRO O=S1(=O)CC[C@H]([NH2+][C@H]2CCN(c3ncccc3Cl)C2)c2ccccc21 ZINC000186246789 552382534 /nfs/dbraw/zinc/38/25/34/552382534.db2.gz CMUINZXJFGAPCL-BBRMVZONSA-N 1 0 377.897 2.822 20 0 GFADRO C[C@H](C[NH+]1CCCCCC1)NC(=O)c1cc(I)c[nH]1 ZINC000186250654 552382780 /nfs/dbraw/zinc/38/27/80/552382780.db2.gz ZFMCAMQWIKVFNR-LLVKDONJSA-N 1 0 375.254 2.614 20 0 GFADRO O=C(NCC1=CC[NH2+]CC1)c1cc(Br)sc1Br ZINC000186338725 552385567 /nfs/dbraw/zinc/38/55/67/552385567.db2.gz DRYZDTHDFDZFQK-UHFFFAOYSA-N 1 0 380.105 2.923 20 0 GFADRO O=C(c1csc(I)c1)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000186513397 552389753 /nfs/dbraw/zinc/38/97/53/552389753.db2.gz DFPKKUZIHHTJEA-JTQLQIEISA-N 1 0 376.263 2.709 20 0 GFADRO CCO[C@H]1C[C@@](CO)([NH2+]Cc2cnc3ccc(Br)cn23)C1(C)C ZINC000186580733 552391250 /nfs/dbraw/zinc/39/12/50/552391250.db2.gz XREIHWQMYOGNQM-YOEHRIQHSA-N 1 0 382.302 2.753 20 0 GFADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc(Br)c(C)nc1OC ZINC000186742543 552396624 /nfs/dbraw/zinc/39/66/24/552396624.db2.gz ROVYXXNQTCIZMP-OLZOCXBDSA-N 1 0 382.302 2.860 20 0 GFADRO CN(CCC[NH+](C)C)C(=O)N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000186758009 552397277 /nfs/dbraw/zinc/39/72/77/552397277.db2.gz DNWNESDZKHEURF-HNNXBMFYSA-N 1 0 387.311 2.692 20 0 GFADRO Cc1c(C(=O)N[C@H]2C[NH2+]CC[C@H]2C)cnn1-c1ccc(Br)cc1 ZINC000186823814 552398898 /nfs/dbraw/zinc/39/88/98/552398898.db2.gz OOTNFGFUOADTQV-BZNIZROVSA-N 1 0 377.286 2.671 20 0 GFADRO COc1nc(C)c(Br)cc1C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000186865481 552399974 /nfs/dbraw/zinc/39/99/74/552399974.db2.gz NMDNKSNVVZFBQK-SWLSCSKDSA-N 1 0 382.302 2.717 20 0 GFADRO CC(C)[C@@H](C[NH2+][C@@H](C)c1ncc(Br)cc1F)N1CCN(C)CC1 ZINC000186981487 552403241 /nfs/dbraw/zinc/40/32/41/552403241.db2.gz ZHKWVVIRMPAVNM-XJKSGUPXSA-N 1 0 387.341 2.906 20 0 GFADRO C[C@H]([NH2+]C[C@@H](O)COc1cccc(Cl)c1Cl)C1CCS(=O)(=O)CC1 ZINC000187064078 552405751 /nfs/dbraw/zinc/40/57/51/552405751.db2.gz QWCNTYZHHPNIDI-WCQYABFASA-N 1 0 396.336 2.536 20 0 GFADRO COc1ccc(Cl)cc1N1CC[C@@H]([NH2+][C@@H](C)C2CCS(=O)(=O)CC2)C1 ZINC000187141532 552407897 /nfs/dbraw/zinc/40/78/97/552407897.db2.gz BWBJICXWPBJDMP-XJKSGUPXSA-N 1 0 386.945 2.730 20 0 GFADRO C[C@H](NC(=O)N1CC[N@H+](CC(C)(C)O)C[C@@H]1C)c1ccc(Br)cc1 ZINC000187149949 552407914 /nfs/dbraw/zinc/40/79/14/552407914.db2.gz YJJOJSJOVDHDJV-KBPBESRZSA-N 1 0 398.345 2.997 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)c1coc(C[NH3+])c1 ZINC000187240515 552410636 /nfs/dbraw/zinc/41/06/36/552410636.db2.gz HRVNBZBBXUSKDF-UHFFFAOYSA-N 1 0 380.242 2.520 20 0 GFADRO C[C@@H]([NH2+]CCCc1nc(-c2ccncc2)cs1)C1CCS(=O)(=O)CC1 ZINC000187340710 552412641 /nfs/dbraw/zinc/41/26/41/552412641.db2.gz UAPICAUDWAYTAS-CQSZACIVSA-N 1 0 379.551 2.941 20 0 GFADRO CO[C@@H]1C[NH2+][C@@H](C(=O)N2CCC(OCc3ccc(Cl)c(Cl)c3)CC2)C1 ZINC000187860361 552426699 /nfs/dbraw/zinc/42/66/99/552426699.db2.gz VTYXGGPPRUIRCY-WMLDXEAASA-N 1 0 387.307 2.878 20 0 GFADRO CN(CC1([NH+](C)C)CCC1)C(=O)Cc1ccccc1I ZINC000188049106 552432798 /nfs/dbraw/zinc/43/27/98/552432798.db2.gz TVQUAOJXQLDJCK-UHFFFAOYSA-N 1 0 386.277 2.776 20 0 GFADRO COc1nc(C)c(Br)cc1C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000188070120 552433430 /nfs/dbraw/zinc/43/34/30/552433430.db2.gz ZJIFYAPCZVNSSV-UHFFFAOYSA-N 1 0 382.302 2.765 20 0 GFADRO NC(=O)NC(=O)CCC[NH2+][C@@H](CC1CC1)c1cc(F)cc(Br)c1 ZINC000188187948 552438475 /nfs/dbraw/zinc/43/84/75/552438475.db2.gz LNAAGYXZWDVLMB-AWEZNQCLSA-N 1 0 386.265 2.994 20 0 GFADRO COc1cc(S(=O)(=O)N[C@H](C)C[NH+]2CCCCC2)ccc1Br ZINC000188214041 552439278 /nfs/dbraw/zinc/43/92/78/552439278.db2.gz ZWLYLUYZKMCVLA-GFCCVEGCSA-N 1 0 391.331 2.610 20 0 GFADRO CCN(CCC[NH+](CC)CC)S(=O)(=O)c1nc(C)c(Br)s1 ZINC000188251488 552440385 /nfs/dbraw/zinc/44/03/85/552440385.db2.gz GZDMADVCTVUHST-UHFFFAOYSA-N 1 0 398.392 2.957 20 0 GFADRO O=C(Nc1ccsc1Cl)C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000188260114 552440926 /nfs/dbraw/zinc/44/09/26/552440926.db2.gz ZYSYNYVFXOYRIL-UHFFFAOYSA-N 1 0 378.885 2.516 20 0 GFADRO COCCC(=O)N1CCC([NH2+][C@@H](C)Cc2ccc(Br)cc2)CC1 ZINC000188310770 552441931 /nfs/dbraw/zinc/44/19/31/552441931.db2.gz QBWSLIQALMSGIU-AWEZNQCLSA-N 1 0 383.330 2.997 20 0 GFADRO C[C@@H]1CN(C(=O)c2ccc(NC(=O)CSc3cccs3)cc2)CC[NH2+]1 ZINC000188443092 552444918 /nfs/dbraw/zinc/44/49/18/552444918.db2.gz LGWSMMKAMGTQDC-CYBMUJFWSA-N 1 0 375.519 2.913 20 0 GFADRO COc1cc(Br)ccc1CNC(=O)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC000188439916 552445077 /nfs/dbraw/zinc/44/50/77/552445077.db2.gz HPKXOLSEKQMABH-MRXNPFEDSA-N 1 0 397.313 2.717 20 0 GFADRO Cc1cccc(CNC(=O)NCCCC[NH+]2CCOCC2)c1Br ZINC000188633219 552450522 /nfs/dbraw/zinc/45/05/22/552450522.db2.gz YBDOUKAHGVZAIZ-UHFFFAOYSA-N 1 0 384.318 2.669 20 0 GFADRO CCN(CC[NH2+]Cc1ccc(Br)cc1N1CCOCC1)C1CC1 ZINC000188719947 552453314 /nfs/dbraw/zinc/45/33/14/552453314.db2.gz NYKPYJGMCZWFRZ-UHFFFAOYSA-N 1 0 382.346 2.860 20 0 GFADRO O=C(NC1CC[NH+](Cc2ccncc2)CC1)c1nc(Br)cs1 ZINC000188782265 552455365 /nfs/dbraw/zinc/45/53/65/552455365.db2.gz RPWMWWQAQXAHEH-UHFFFAOYSA-N 1 0 381.299 2.695 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C[N@@H+](C)CC1(O)CCOCC1 ZINC000188836769 552456497 /nfs/dbraw/zinc/45/64/97/552456497.db2.gz NVPRSGOSRVPLCX-UHFFFAOYSA-N 1 0 394.313 2.917 20 0 GFADRO O=C(c1[nH]nc2c1C[NH2+]CC2)N(Cc1csc(Br)c1)C1CC1 ZINC000188973734 552459732 /nfs/dbraw/zinc/45/97/32/552459732.db2.gz AHLXCTJYGCMCDG-UHFFFAOYSA-N 1 0 381.299 2.684 20 0 GFADRO CCc1nc2c(s1)[C@@H]([NH2+]Cc1ccc(S(=O)(=O)CCO)cc1)CCC2 ZINC000189171165 552465011 /nfs/dbraw/zinc/46/50/11/552465011.db2.gz UNDNALZKZXRFLC-HNNXBMFYSA-N 1 0 380.535 2.639 20 0 GFADRO O=S(=O)(C1CCOCC1)N1CCC([NH2+]Cc2ccc(Cl)cc2F)CC1 ZINC000189350089 552469024 /nfs/dbraw/zinc/46/90/24/552469024.db2.gz ILCSBBJDSPXAKZ-UHFFFAOYSA-N 1 0 390.908 2.542 20 0 GFADRO CC[C@@]1(CO)CCC[N@@H+]1CC(=O)N(C)Cc1cc(Br)cs1 ZINC000189608592 552475578 /nfs/dbraw/zinc/47/55/78/552475578.db2.gz NMJGZIOCQQOOLV-HNNXBMFYSA-N 1 0 375.332 2.706 20 0 GFADRO C[NH+](C)C[C@@](C)(O)CNC(=O)C(C)(C)COc1cc(Cl)cc(Cl)c1 ZINC000189721072 552478201 /nfs/dbraw/zinc/47/82/01/552478201.db2.gz JBGJXRXJGZDYAY-KRWDZBQOSA-N 1 0 377.312 2.827 20 0 GFADRO CCN(CCC[NH+](C)C)C(=O)C(=O)Nc1cc(Cl)ccc1Br ZINC000189827066 552480963 /nfs/dbraw/zinc/48/09/63/552480963.db2.gz FSKRVAZOTZPUDG-UHFFFAOYSA-N 1 0 390.709 2.841 20 0 GFADRO CS(=O)(=O)c1cc(NC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)ccc1Cl ZINC000189878303 552481695 /nfs/dbraw/zinc/48/16/95/552481695.db2.gz SPTUFBLUPWVLRX-ZDUSSCGKSA-N 1 0 385.917 2.693 20 0 GFADRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccsc2Cl)[C@H](C)C1 ZINC000189893324 552482240 /nfs/dbraw/zinc/48/22/40/552482240.db2.gz BFKRNBJDMQAWRH-CHWSQXEVSA-N 1 0 387.933 2.593 20 0 GFADRO Cc1csc([C@H]2COCCN2C(=O)NC[C@H](c2cccs2)[NH+](C)C)n1 ZINC000189947876 552483462 /nfs/dbraw/zinc/48/34/62/552483462.db2.gz LFXZSCLUETYNBZ-ZIAGYGMSSA-N 1 0 380.539 2.899 20 0 GFADRO O=C(Nc1ccc(F)cc1Br)C(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000190010296 552485042 /nfs/dbraw/zinc/48/50/42/552485042.db2.gz WQFWNNQRAXTXPS-ZDUSSCGKSA-N 1 0 398.276 2.614 20 0 GFADRO CN(C(=O)c1nc(Br)ccc1Br)C1CC[NH+](C)CC1 ZINC000190235402 552490499 /nfs/dbraw/zinc/49/04/99/552490499.db2.gz YTIKFEUKPZYBOH-UHFFFAOYSA-N 1 0 391.107 2.773 20 0 GFADRO CC(=O)NCCC[N@@H+](C)Cc1cccc(Br)c1OC[C@H]1CCCO1 ZINC000190509859 552499318 /nfs/dbraw/zinc/49/93/18/552499318.db2.gz PGNZQABVOOHNJD-MRXNPFEDSA-N 1 0 399.329 2.965 20 0 GFADRO CCCOCC(=O)Nc1ccc(CN2CC[NH+](C)CC2)c(Br)c1 ZINC000191084158 552518256 /nfs/dbraw/zinc/51/82/56/552518256.db2.gz TXVFQKIYTRINOE-UHFFFAOYSA-N 1 0 384.318 2.562 20 0 GFADRO O=C(NCCOCC(F)F)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000191596265 552532622 /nfs/dbraw/zinc/53/26/22/552532622.db2.gz CRZYPTDOKXUMTQ-UHFFFAOYSA-N 1 0 375.847 2.885 20 0 GFADRO C[NH+](C)C[C@@H]1CCN(C(=O)c2nc(Br)ccc2Br)C1 ZINC000191794565 552538265 /nfs/dbraw/zinc/53/82/65/552538265.db2.gz CTDJKUYQEHKGHC-VIFPVBQESA-N 1 0 391.107 2.630 20 0 GFADRO COC(=O)[C@H]1CC[N@H+](CCC(=O)Nc2ccc(Br)cc2)C[C@@H]1C ZINC000191817733 552539011 /nfs/dbraw/zinc/53/90/11/552539011.db2.gz YITMCRIABRJKPH-WFASDCNBSA-N 1 0 383.286 2.909 20 0 GFADRO O=C(NCCCC[NH+]1CCOCC1)c1cc(Br)c(F)cc1F ZINC000191939006 552543053 /nfs/dbraw/zinc/54/30/53/552543053.db2.gz YYCQTVIEQZEVEX-UHFFFAOYSA-N 1 0 377.229 2.570 20 0 GFADRO C[NH+]1CCN(c2ccc(NC(=O)c3cccc(Br)c3F)nc2)CC1 ZINC000191941309 552543032 /nfs/dbraw/zinc/54/30/32/552543032.db2.gz JGGJKJXSNLVUDA-UHFFFAOYSA-N 1 0 393.260 2.987 20 0 GFADRO COCC[N@H+](C)CCCNC(=O)c1cc(Br)c(Cl)cc1OC ZINC000191931724 552543398 /nfs/dbraw/zinc/54/33/98/552543398.db2.gz UUMGZXPJIWNEBF-UHFFFAOYSA-N 1 0 393.709 2.809 20 0 GFADRO CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)Nc1cc(Cl)c(Cl)cc1OC ZINC000192033564 552546738 /nfs/dbraw/zinc/54/67/38/552546738.db2.gz GVCFHSZZHYQINN-NSHDSACASA-N 1 0 388.295 2.931 20 0 GFADRO O=C(Cc1ccc(I)cc1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000192038058 552547230 /nfs/dbraw/zinc/54/72/30/552547230.db2.gz ABNGJGWSQPUXTR-OAHLLOKOSA-N 1 0 384.261 2.530 20 0 GFADRO COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)N(CC[NH+](C)C)CC(C)C ZINC000192154953 552553366 /nfs/dbraw/zinc/55/33/66/552553366.db2.gz YTILXBMGVXQOBP-UHFFFAOYSA-N 1 0 390.311 2.987 20 0 GFADRO CCN(CCC[NH+](C)C)C(=O)C(=O)Nc1cccc(Cl)c1Br ZINC000192204180 552555780 /nfs/dbraw/zinc/55/57/80/552555780.db2.gz VYXCYNNUMRDENA-UHFFFAOYSA-N 1 0 390.709 2.841 20 0 GFADRO COC(=O)c1cccc(NC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)c1Br ZINC000192424641 552562958 /nfs/dbraw/zinc/56/29/58/552562958.db2.gz OIDGTUIFCZKRLT-LBPRGKRZSA-N 1 0 396.285 2.938 20 0 GFADRO COC(=O)c1cccc(NC(=O)NC[C@H]2CCC[N@H+](C)C2)c1Br ZINC000192425127 552562971 /nfs/dbraw/zinc/56/29/71/552562971.db2.gz LFHXIFOIDARYJG-LLVKDONJSA-N 1 0 384.274 2.699 20 0 GFADRO C[C@@H](O)C[N@@H+]1CCN(Cc2ncc(-c3cccc(Br)c3)o2)[C@H](C)C1 ZINC000192811416 552974778 /nfs/dbraw/zinc/97/47/78/552974778.db2.gz NPDQXHUQCKAQPJ-ZIAGYGMSSA-N 1 0 394.313 2.991 20 0 GFADRO Cc1c(Br)ccc(NC(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)C2)c1F ZINC000192862959 552976303 /nfs/dbraw/zinc/97/63/03/552976303.db2.gz BHMLTDHZTKIIGT-LBPRGKRZSA-N 1 0 398.276 2.532 20 0 GFADRO CC(C)c1csc(NC(=O)C(=O)N(CC[NH+](C)C)Cc2cccs2)n1 ZINC000193131434 552984184 /nfs/dbraw/zinc/98/41/84/552984184.db2.gz IZTWIVCCTNFISB-UHFFFAOYSA-N 1 0 380.539 2.857 20 0 GFADRO O=C(NCC[NH+]1CCCC1)[C@@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl ZINC000193160080 552985296 /nfs/dbraw/zinc/98/52/96/552985296.db2.gz WKQRWUCKNODJSS-INIZCTEOSA-N 1 0 384.307 2.810 20 0 GFADRO O=S(=O)(NCC[C@@H]1CC[NH2+]C1)c1ccc2cc(Br)ccc2c1 ZINC000193265995 552988266 /nfs/dbraw/zinc/98/82/66/552988266.db2.gz YWRSMKNRIAXAHY-LBPRGKRZSA-N 1 0 383.311 2.880 20 0 GFADRO C[NH2+]C[C@@H](C)CNS(=O)(=O)c1ccc(Br)c(Cl)c1Cl ZINC000193278265 552988332 /nfs/dbraw/zinc/98/83/32/552988332.db2.gz KRIYJQFVWSXKHF-SSDOTTSWSA-N 1 0 390.130 2.890 20 0 GFADRO COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000193321848 552990206 /nfs/dbraw/zinc/99/02/06/552990206.db2.gz TYQHGRHGYKHBPZ-IUODEOHRSA-N 1 0 390.933 2.550 20 0 GFADRO COc1cc(Br)c(S(=O)(=O)N[C@@H]2CCC[NH2+][C@@H]2C)cc1Cl ZINC000193454417 552993927 /nfs/dbraw/zinc/99/39/27/552993927.db2.gz YOOVPEGNSKPDCX-LDYMZIIASA-N 1 0 397.722 2.530 20 0 GFADRO C[NH+](C)CCN(Cc1cccc(O)c1)C(=O)c1ncccc1Br ZINC000193594972 552998143 /nfs/dbraw/zinc/99/81/43/552998143.db2.gz SWPMYXSNMUWAHW-UHFFFAOYSA-N 1 0 378.270 2.754 20 0 GFADRO C[C@H]1CCNC(=O)[C@H]1[NH2+]Cc1ccc(Br)c(Br)c1 ZINC000193674721 552999574 /nfs/dbraw/zinc/99/95/74/552999574.db2.gz IZTZFQWXOGPJTB-UFBFGSQYSA-N 1 0 376.092 2.826 20 0 GFADRO CS(=O)(=O)Nc1ccc(OCC[NH2+]CCSCc2ccccc2)cc1 ZINC000193915634 553007042 /nfs/dbraw/zinc/00/70/42/553007042.db2.gz UGWGBCMEDHOYRN-UHFFFAOYSA-N 1 0 380.535 2.960 20 0 GFADRO O=C(NCC[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2)c1cccc(Br)c1 ZINC000194100370 553011655 /nfs/dbraw/zinc/01/16/55/553011655.db2.gz JTBRGDAWIJMKPY-BZUAXINKSA-N 1 0 379.298 2.726 20 0 GFADRO COC[C@@H]([NH2+]CCNS(=O)(=O)c1ccc(C)s1)c1ccc(Cl)cc1 ZINC000194118648 553012120 /nfs/dbraw/zinc/01/21/20/553012120.db2.gz DHGOJDRGQDFASH-OAHLLOKOSA-N 1 0 388.942 2.966 20 0 GFADRO CCC[NH+]1CCC(CNC(=O)[C@H]2Cc3cc(Br)ccc3O2)CC1 ZINC000194212817 553015094 /nfs/dbraw/zinc/01/50/94/553015094.db2.gz OYHQULQEFHZETO-QGZVFWFLSA-N 1 0 381.314 2.991 20 0 GFADRO O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1ccsc1Cl ZINC000194633722 553025683 /nfs/dbraw/zinc/02/56/83/553025683.db2.gz FGUNCSVQBIKEPQ-CQSZACIVSA-N 1 0 377.897 2.978 20 0 GFADRO CC(C)(C)S(=O)(=O)Cc1cccc(NC(=O)c2csc(CC[NH3+])n2)c1 ZINC000194804352 553030248 /nfs/dbraw/zinc/03/02/48/553030248.db2.gz UBZWEJGDUGRVMH-UHFFFAOYSA-N 1 0 381.523 2.610 20 0 GFADRO [NH3+]CCc1nc(C(=O)N2CCC([C@H](O)c3ccc(Cl)cc3)CC2)cs1 ZINC000194802635 553030469 /nfs/dbraw/zinc/03/04/69/553030469.db2.gz JZIFYCSSFCGDKL-QGZVFWFLSA-N 1 0 379.913 2.884 20 0 GFADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)NCC1CCOCC1 ZINC000194843249 553031737 /nfs/dbraw/zinc/03/17/37/553031737.db2.gz CZENBZYWYBGEJI-UHFFFAOYSA-N 1 0 398.345 2.949 20 0 GFADRO COCC[NH+]1CCC(NC(=O)CCOc2ccc(C)cc2Br)CC1 ZINC000195051123 553036628 /nfs/dbraw/zinc/03/66/28/553036628.db2.gz PYTRIKQTLRUEPH-UHFFFAOYSA-N 1 0 399.329 2.753 20 0 GFADRO C[C@@H](CNS(=O)(=O)N(C)Cc1c(F)cccc1Cl)[N@@H+]1CCC[C@@H](C)C1 ZINC000195585303 553051509 /nfs/dbraw/zinc/05/15/09/553051509.db2.gz OWRXORFOLKFYON-KGLIPLIRSA-N 1 0 391.940 2.866 20 0 GFADRO CCN(CC)S(=O)(=O)c1cc(NC(=O)C[NH+](CC)CC)ccc1Cl ZINC000198409368 553051785 /nfs/dbraw/zinc/05/17/85/553051785.db2.gz KVQSNWZRDAOZGI-UHFFFAOYSA-N 1 0 375.922 2.651 20 0 GFADRO [O-]c1c(Br)cc(C[NH2+]C[C@@H](O)C(F)(F)F)cc1Br ZINC000219455418 553054610 /nfs/dbraw/zinc/05/46/10/553054610.db2.gz YGYKZXMKDSQYKS-MRVPVSSYSA-N 1 0 392.997 2.930 20 0 GFADRO C[C@H]1CN(C(=O)c2ccc(I)c(Cl)c2)[C@@H](C)C[NH2+]1 ZINC000227356315 553062672 /nfs/dbraw/zinc/06/26/72/553062672.db2.gz CHWXVYKEYDLVAH-IUCAKERBSA-N 1 0 378.641 2.767 20 0 GFADRO CC[N@H+](CCNS(=O)(=O)c1ccc(Cl)c(Br)c1)C1CC1 ZINC000233479348 553067323 /nfs/dbraw/zinc/06/73/23/553067323.db2.gz GIPMSCMMLFBTGG-UHFFFAOYSA-N 1 0 381.723 2.865 20 0 GFADRO C[C@@H](CNS(=O)(=O)c1ccc(Cl)c(Br)c1)[NH+]1CCCC1 ZINC000235123511 553068008 /nfs/dbraw/zinc/06/80/08/553068008.db2.gz AAQOWQLYAUHECG-JTQLQIEISA-N 1 0 381.723 2.865 20 0 GFADRO O=C(NC[C@@H]1CCCC[NH2+]1)C1(c2ccc(Br)cc2)CCOCC1 ZINC000236676679 553070487 /nfs/dbraw/zinc/07/04/87/553070487.db2.gz MBYUXPMMFOXCKQ-INIZCTEOSA-N 1 0 381.314 2.756 20 0 GFADRO O=C(NC[C@H]1CCN(c2cccc(Br)c2)C1)[C@@H]1CC12CC[NH2+]CC2 ZINC000236656929 553070577 /nfs/dbraw/zinc/07/05/77/553070577.db2.gz SYWFEPIMMSLHOZ-PBHICJAKSA-N 1 0 392.341 2.781 20 0 GFADRO CCOc1cc(Br)c(CC(=O)N2CCC([NH2+]C)CC2)cc1OCC ZINC000236878354 553072296 /nfs/dbraw/zinc/07/22/96/553072296.db2.gz WVDCFKCCFHLOGB-UHFFFAOYSA-N 1 0 399.329 2.999 20 0 GFADRO CC[C@@H](C)[C@H]([NH3+])C(=O)N[C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000236966057 553072804 /nfs/dbraw/zinc/07/28/04/553072804.db2.gz XJGNIYWBIGIHNZ-XWIASGKRSA-N 1 0 378.826 2.822 20 0 GFADRO CCCC[C@H](C[NH3+])NC(=O)C[C@@H](NC(C)=O)c1ccc(Br)cc1 ZINC000236894521 553072929 /nfs/dbraw/zinc/07/29/29/553072929.db2.gz KQLUTSZQHQNDGK-HZPDHXFCSA-N 1 0 384.318 2.650 20 0 GFADRO CC[NH2+]CC1CCN(S(=O)(=O)c2ccc(C)c(Br)c2)CC1 ZINC000237051370 553074117 /nfs/dbraw/zinc/07/41/17/553074117.db2.gz JKONKUCYQHUKBV-UHFFFAOYSA-N 1 0 375.332 2.768 20 0 GFADRO C[NH2+]C[C@@H](C)CNC(=O)c1nn(-c2cccc(Br)c2)c2c1CCC2 ZINC000237057215 553074143 /nfs/dbraw/zinc/07/41/43/553074143.db2.gz KMGRAGLYQHKNQR-GFCCVEGCSA-N 1 0 391.313 2.709 20 0 GFADRO CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)[C@H]([NH3+])Cc1ccccc1 ZINC000237085564 553074158 /nfs/dbraw/zinc/07/41/58/553074158.db2.gz MGYNOABMRYYQOM-OAHLLOKOSA-N 1 0 380.275 2.960 20 0 GFADRO C[NH2+]C[C@H]1CCCN(C(=O)c2cc(-c3ccc(Br)cc3)n[nH]2)C1 ZINC000237067616 553074357 /nfs/dbraw/zinc/07/43/57/553074357.db2.gz GVUMXDLKHMNXNB-GFCCVEGCSA-N 1 0 377.286 2.911 20 0 GFADRO COc1ccc(Br)cc1C(=O)CCC(=O)NC[C@H]1CCCC[NH2+]1 ZINC000237110990 553074844 /nfs/dbraw/zinc/07/48/44/553074844.db2.gz UUPYPMDTIDXQGB-CYBMUJFWSA-N 1 0 383.286 2.679 20 0 GFADRO COCC[NH2+]CCNC(=O)c1cccnc1Oc1ccc(Br)cc1 ZINC000237325068 553076395 /nfs/dbraw/zinc/07/63/95/553076395.db2.gz OEARURXTKBXRRB-UHFFFAOYSA-N 1 0 394.269 2.602 20 0 GFADRO C[NH2+]C[C@H]1CCCN1C(=O)c1cnn(-c2cccc(Br)c2)c1C ZINC000237272703 553076416 /nfs/dbraw/zinc/07/64/16/553076416.db2.gz LWQVVUUKNPWXES-OAHLLOKOSA-N 1 0 377.286 2.767 20 0 GFADRO CS(=O)(=O)CCOc1ccc(Cl)cc1NC(=O)CCCCCC[NH3+] ZINC000237312264 553076700 /nfs/dbraw/zinc/07/67/00/553076700.db2.gz OFVIFPPXCNSFIG-UHFFFAOYSA-N 1 0 376.906 2.611 20 0 GFADRO CSc1cc(C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)c(Cl)cc1Cl ZINC000237296273 553076759 /nfs/dbraw/zinc/07/67/59/553076759.db2.gz AZLCIZLSLLHSDC-JTQLQIEISA-N 1 0 390.336 2.642 20 0 GFADRO Cc1c(C(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)nnn1-c1cccc(Br)c1 ZINC000237377260 553077118 /nfs/dbraw/zinc/07/71/18/553077118.db2.gz NDFIZNXEVBVQHJ-YPMHNXCESA-N 1 0 392.301 2.538 20 0 GFADRO CS(=O)(=O)N1CCC([NH2+]C2CC(c3ccc(Br)cc3)C2)CC1 ZINC000237378714 553077268 /nfs/dbraw/zinc/07/72/68/553077268.db2.gz FYCKLRQPKLUULT-UHFFFAOYSA-N 1 0 387.343 2.709 20 0 GFADRO C[NH2+]CC1CCN(S(=O)(=O)c2cc(C)c(Br)cc2C)CC1 ZINC000237356916 553077273 /nfs/dbraw/zinc/07/72/73/553077273.db2.gz UMSPEZNRDHLKBM-UHFFFAOYSA-N 1 0 375.332 2.686 20 0 GFADRO C[NH2+]C[C@H]1CCCN(C(=O)[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C1 ZINC000237341881 553077318 /nfs/dbraw/zinc/07/73/18/553077318.db2.gz OUYVFOVYIUFIGI-TZMCWYRMSA-N 1 0 384.307 2.804 20 0 GFADRO C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)CC2([NH3+])CCC2)CC1 ZINC000237487271 553078230 /nfs/dbraw/zinc/07/82/30/553078230.db2.gz UELKCQDSNZPTNU-AWEZNQCLSA-N 1 0 380.330 2.926 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)CC1CC[NH2+]CC1 ZINC000237556969 553079285 /nfs/dbraw/zinc/07/92/85/553079285.db2.gz DEBXICLFPIBSKL-UHFFFAOYSA-N 1 0 382.302 2.592 20 0 GFADRO C[C@]1(C(=O)NC[C@H]2CCN(c3ccc(Br)cc3)C2)CCC[NH2+]C1 ZINC000237566750 553079326 /nfs/dbraw/zinc/07/93/26/553079326.db2.gz SNYVXZIFCPNGRH-KDOFPFPSSA-N 1 0 380.330 2.781 20 0 GFADRO C[C@H]1CCCN(C(=O)c2cnn(-c3ccc(Br)cc3)c2)[C@H]1C[NH3+] ZINC000237660911 553080331 /nfs/dbraw/zinc/08/03/31/553080331.db2.gz PGPAPCJYZURIGQ-LRDDRELGSA-N 1 0 377.286 2.834 20 0 GFADRO Cc1c(C(=O)N2CCC(C[NH3+])CC2)cnn1-c1ccc(Br)cc1 ZINC000237734574 553080942 /nfs/dbraw/zinc/08/09/42/553080942.db2.gz YFWFKGXALUGBHN-UHFFFAOYSA-N 1 0 377.286 2.754 20 0 GFADRO O=C(C[C@H]1CSCC[NH2+]1)NC[C@@H](c1c(F)cccc1Cl)N1CCCC1 ZINC000237757901 553081608 /nfs/dbraw/zinc/08/16/08/553081608.db2.gz YSWDBLSXLURPSR-BBRMVZONSA-N 1 0 385.936 2.827 20 0 GFADRO [NH3+]CCCOC1CCN(C(=O)c2c(F)cc(Br)cc2F)CC1 ZINC000237823409 553082192 /nfs/dbraw/zinc/08/21/92/553082192.db2.gz NTBHOMDWVWTRJA-UHFFFAOYSA-N 1 0 377.229 2.697 20 0 GFADRO O=C(C[C@H]1CSCC[NH2+]1)N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000237802398 553082395 /nfs/dbraw/zinc/08/23/95/553082395.db2.gz XPFYKMLYKZLALO-SWLSCSKDSA-N 1 0 375.321 2.988 20 0 GFADRO O=C(Cc1csc(-c2ccc(Cl)cc2Cl)n1)NCCN1CC[NH2+]CC1 ZINC000237814035 553082447 /nfs/dbraw/zinc/08/24/47/553082447.db2.gz RWUVSCKTCFTTDD-UHFFFAOYSA-N 1 0 399.347 2.681 20 0 GFADRO [NH3+][C@@H](CNC(=O)CCc1ncc(-c2ccccc2Br)o1)C1CC1 ZINC000237979317 553084539 /nfs/dbraw/zinc/08/45/39/553084539.db2.gz VXCKALZEKWFBSW-AWEZNQCLSA-N 1 0 378.270 2.890 20 0 GFADRO O=C(Cc1cccs1)Nc1ccccc1NC(=O)C[C@H]1CSCC[NH2+]1 ZINC000238094555 553085587 /nfs/dbraw/zinc/08/55/87/553085587.db2.gz LYLRUODCQSEXNH-ZDUSSCGKSA-N 1 0 375.519 2.963 20 0 GFADRO [NH3+]C[C@@H](NC(=O)Cc1cccc(I)c1)C1CCCCC1 ZINC000238069230 553085676 /nfs/dbraw/zinc/08/56/76/553085676.db2.gz MZJRGEIOFIAPSA-OAHLLOKOSA-N 1 0 386.277 2.858 20 0 GFADRO [NH3+]C[C@@H]1CCCN(C(=O)c2ccc(Cl)c(I)c2)C1 ZINC000238064781 553085752 /nfs/dbraw/zinc/08/57/52/553085752.db2.gz ZLZZKKMLNDMFEU-VIFPVBQESA-N 1 0 378.641 2.756 20 0 GFADRO C[C@H](C(=O)N1CCN(c2ccc(Br)cn2)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000245202293 553089097 /nfs/dbraw/zinc/08/90/97/553089097.db2.gz QVORUOOJPZTDQD-RBSFLKMASA-N 1 0 395.345 2.754 20 0 GFADRO NC(=O)CC[C@@H]1CCC[N@H+](C[C@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000245394788 553089157 /nfs/dbraw/zinc/08/91/57/553089157.db2.gz GNLWDLHMCZNSSY-JSGCOSHPSA-N 1 0 375.296 2.711 20 0 GFADRO Cc1ccc(Br)c(NC(=O)C(=O)N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000245571558 553093375 /nfs/dbraw/zinc/09/33/75/553093375.db2.gz BTXUARHKIMHEFF-ZIAGYGMSSA-N 1 0 396.329 2.933 20 0 GFADRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)S(=O)(=O)c1cc(F)c(Br)cc1F ZINC000245645821 553094260 /nfs/dbraw/zinc/09/42/60/553094260.db2.gz ITMMXPRUYNIROY-TVQRCGJNSA-N 1 0 397.285 2.688 20 0 GFADRO Cc1cccc(S(=O)(=O)N2CCC[C@@H]2CN2C[C@@H](C)O[C@H](C)C2)c1Cl ZINC000245874736 553098349 /nfs/dbraw/zinc/09/83/49/553098349.db2.gz SNBOVCBILPEBIJ-BZUAXINKSA-N 1 0 386.945 2.911 20 0 GFADRO COC(=O)C[C@H]1CSCC[N@@H+]1C[C@@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC000245916013 553099036 /nfs/dbraw/zinc/09/90/36/553099036.db2.gz FPIDIGGWXWPVGW-GJZGRUSLSA-N 1 0 377.428 2.589 20 0 GFADRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)NCCOc2ncc(Cl)cc2Cl)C1 ZINC000246025853 553100835 /nfs/dbraw/zinc/10/08/35/553100835.db2.gz VNZNHUKOGDXBIP-SWLSCSKDSA-N 1 0 387.311 2.893 20 0 GFADRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1ccc(F)c(I)c1 ZINC000246106521 553102301 /nfs/dbraw/zinc/10/23/01/553102301.db2.gz WZTAWXWQZLXJCD-QMTHXVAHSA-N 1 0 390.240 2.843 20 0 GFADRO Cc1ccc(S(=O)(=O)N(C)[C@H]2CC[N@@H+](C)C[C@H]2C)cc1Br ZINC000246165154 553103450 /nfs/dbraw/zinc/10/34/50/553103450.db2.gz MEHJDDITRFHLPI-DOMZBBRYSA-N 1 0 375.332 2.718 20 0 GFADRO CNC(=O)[C@H](C)C[N@H+](C)[C@H](C)C(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000246262099 553105155 /nfs/dbraw/zinc/10/51/55/553105155.db2.gz UYPPTIYZBRIKMV-NXEZZACHSA-N 1 0 379.810 3.000 20 0 GFADRO COc1ccc([C@H](C)[C@@H](C)[NH2+]C[C@@H](O)CS(=O)(=O)c2cccs2)cc1 ZINC000246281095 553105803 /nfs/dbraw/zinc/10/58/03/553105803.db2.gz BOCGGJLNQKMBLR-IIAWOOMASA-N 1 0 383.535 2.673 20 0 GFADRO Cn1ncc2c1CCC[C@@H]2[N@H+](C)C[C@@H](O)COc1ccc(Br)cc1 ZINC000246379671 553107061 /nfs/dbraw/zinc/10/70/61/553107061.db2.gz ZILLMQRWPPTFBG-PBHICJAKSA-N 1 0 394.313 2.932 20 0 GFADRO CCOC(=O)[C@H](CC)N1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000246549686 553109077 /nfs/dbraw/zinc/10/90/77/553109077.db2.gz CYLQZNUPOHTWGP-OCCSQVGLSA-N 1 0 398.301 2.836 20 0 GFADRO C[C@H](Oc1ccccc1Br)C(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000246508467 553109523 /nfs/dbraw/zinc/10/95/23/553109523.db2.gz CJAJAYQPUYFTEK-KFWWJZLASA-N 1 0 399.329 2.832 20 0 GFADRO COCCCNC(=O)[C@H](C)N1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000246639790 553110853 /nfs/dbraw/zinc/11/08/53/553110853.db2.gz WRTOGAAWILCNMR-GXTWGEPZSA-N 1 0 375.296 2.988 20 0 GFADRO C[C@H](Oc1cccc(Br)c1)C(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000246738746 553112262 /nfs/dbraw/zinc/11/22/62/553112262.db2.gz MUTPIHBDXIRHMO-ZNMIVQPWSA-N 1 0 399.329 2.832 20 0 GFADRO O[C@@H](COc1c(Cl)cccc1Cl)C[N@@H+]1CCC[C@@H](Cn2ccnn2)C1 ZINC000246913903 553115551 /nfs/dbraw/zinc/11/55/51/553115551.db2.gz YCOQFJCJWIRBGD-ZIAGYGMSSA-N 1 0 385.295 2.737 20 0 GFADRO CC[C@@H]1CN(C(=O)[C@H](C)Oc2cccc(Br)c2)CC[N@@H+]1C[C@H](C)O ZINC000247010135 553117439 /nfs/dbraw/zinc/11/74/39/553117439.db2.gz WEABFAVKWRGFRU-OFQRWUPVSA-N 1 0 399.329 2.520 20 0 GFADRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)Cc1cc2c(cc1Br)OCCO2 ZINC000247367847 553121598 /nfs/dbraw/zinc/12/15/98/553121598.db2.gz KOTFYVWQHZKBII-IUODEOHRSA-N 1 0 397.313 2.561 20 0 GFADRO C[N@@H+]1CCC[C@@H](CNC(=O)N[C@H]2CCN(c3ccccc3Br)C2)C1 ZINC000247482321 553122572 /nfs/dbraw/zinc/12/25/72/553122572.db2.gz JUAGBBSGJPUXSO-GJZGRUSLSA-N 1 0 395.345 2.669 20 0 GFADRO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C[C@@H]1Sc2ccc(Cl)cc2NC1=O ZINC000247550184 553124116 /nfs/dbraw/zinc/12/41/16/553124116.db2.gz ZERONSRGJCGPLL-FFSVYQOJSA-N 1 0 379.913 2.838 20 0 GFADRO COCCNC(=O)[C@H]1CC[C@H](C)[N@H+](Cc2ccc(OC)c(Br)c2)C1 ZINC000247821050 553125754 /nfs/dbraw/zinc/12/57/54/553125754.db2.gz DAOBGFSUUBDWHJ-ZFWWWQNUSA-N 1 0 399.329 2.821 20 0 GFADRO C[N@@H+]1CCC[C@H]2CN(C(=O)Cc3cccc(I)c3)CC[C@H]21 ZINC000248007971 553127119 /nfs/dbraw/zinc/12/71/19/553127119.db2.gz KZDVCVXYOARRDD-GOEBONIOSA-N 1 0 398.288 2.776 20 0 GFADRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)c3nn(-c4ccc(F)cc4)cc3Br)C[C@H]12 ZINC000248561187 553131325 /nfs/dbraw/zinc/13/13/25/553131325.db2.gz AXMRSYMETNLBQE-VZJVUDMVSA-N 1 0 393.260 2.583 20 0 GFADRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)CCNc3ncc(C(F)(F)F)cc3Cl)C[C@H]12 ZINC000248628561 553131920 /nfs/dbraw/zinc/13/19/20/553131920.db2.gz OPUACOAODNTBSZ-XHVZSJERSA-N 1 0 376.810 2.752 20 0 GFADRO C[C@@H]1C[C@@H](O)C[C@H](C)[N@H+]1CC(=O)N(C)CCOc1ccc(Br)cc1 ZINC000248748746 553134564 /nfs/dbraw/zinc/13/45/64/553134564.db2.gz FTQNWTFNMWVNPV-MIFYACCESA-N 1 0 399.329 2.520 20 0 GFADRO C[C@@H]1CC[N@H+](C[C@H](O)COc2ccc(Cl)cc2Br)[C@H]1CO ZINC000249008237 553137880 /nfs/dbraw/zinc/13/78/80/553137880.db2.gz ZSWAGQHXUKHMSJ-OSMZGAPFSA-N 1 0 378.694 2.545 20 0 GFADRO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)Nc1cc(Br)ccc1F ZINC000249150576 553140226 /nfs/dbraw/zinc/14/02/26/553140226.db2.gz HERVVVSUPGEYJP-STQMWFEESA-N 1 0 398.276 2.612 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2cc(C)cc(Br)c2)[C@@H](C)C1 ZINC000249187662 553140420 /nfs/dbraw/zinc/14/04/20/553140420.db2.gz OMFQIXLRNAXUGE-XJKSGUPXSA-N 1 0 396.329 2.885 20 0 GFADRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)[C@H]1C[C@H]1c1cccc(Br)c1 ZINC000249398273 553142917 /nfs/dbraw/zinc/14/29/17/553142917.db2.gz SCEQPZOOVHPDSD-COXVUDFISA-N 1 0 395.341 2.856 20 0 GFADRO CS(=O)(=O)N1CC[C@@H](C[NH2+][C@H](c2ccc(Br)s2)C2CC2)C1 ZINC000249454948 553143379 /nfs/dbraw/zinc/14/33/79/553143379.db2.gz DGSKPFNXSWBUPQ-HZMBPMFUSA-N 1 0 393.372 2.833 20 0 GFADRO CC[N@@H+](C[C@@H](O)C(F)(F)F)C[C@H](O)COc1ccccc1C(F)(F)F ZINC000249492824 553143819 /nfs/dbraw/zinc/14/38/19/553143819.db2.gz YUILSWRUCIHYRC-GXFFZTMASA-N 1 0 375.309 2.690 20 0 GFADRO C[N@H+](C[C@@H](O)COc1ccccc1C(F)(F)F)C[C@H](O)CC(F)(F)F ZINC000249510053 553143883 /nfs/dbraw/zinc/14/38/83/553143883.db2.gz ZQIVRJUXPVFFBY-GHMZBOCLSA-N 1 0 375.309 2.690 20 0 GFADRO CC[N@H+](CC(=O)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1)[C@H](C)C(C)C ZINC000249883387 553146751 /nfs/dbraw/zinc/14/67/51/553146751.db2.gz APKUQGHXRKRBKM-CVEARBPZSA-N 1 0 386.583 2.630 20 0 GFADRO CC[NH+]1CCN([C@H](C)CNC(=O)[C@H]2C[C@H]2c2ccc(Br)cc2)CC1 ZINC000250289020 553147124 /nfs/dbraw/zinc/14/71/24/553147124.db2.gz OJMNZKHRCDRSHR-JLSDUUJJSA-N 1 0 394.357 2.695 20 0 GFADRO CCCNC(=O)[C@@H]1CCC[N@H+](C[C@@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000250417045 553147239 /nfs/dbraw/zinc/14/72/39/553147239.db2.gz BAMQBXZLSVSYDD-UKRRQHHQSA-N 1 0 389.323 2.971 20 0 GFADRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)Nc1ccccc1Br ZINC000250586283 553147847 /nfs/dbraw/zinc/14/78/47/553147847.db2.gz QNOOTKZBMXMTOL-STQMWFEESA-N 1 0 382.302 2.624 20 0 GFADRO C[N@@H+]1CC[C@@H](NC(=O)c2c[nH]c(=O)c(Br)c2)[C@H]1c1ccccc1 ZINC000253556036 553151410 /nfs/dbraw/zinc/15/14/10/553151410.db2.gz ALFRFKOJBNKGRI-HUUCEWRRSA-N 1 0 376.254 2.725 20 0 GFADRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)c1c[nH]c(=O)c(Br)c1 ZINC000253563832 553151528 /nfs/dbraw/zinc/15/15/28/553151528.db2.gz MSBDTPMDHJKYAH-BLLLJJGKSA-N 1 0 390.281 2.800 20 0 GFADRO Cc1ccc(S(=O)(=O)NC[C@@H]2[NH2+]CCc3ccccc32)c(Br)c1 ZINC000261615962 553154101 /nfs/dbraw/zinc/15/41/01/553154101.db2.gz BQFCBCVKPCOEJL-INIZCTEOSA-N 1 0 395.322 2.923 20 0 GFADRO CC[C@H](c1ccc(Br)cc1)N1CCN(C(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000261613757 553154163 /nfs/dbraw/zinc/15/41/63/553154163.db2.gz CKILZNSYJOSGPT-IAGOWNOFSA-N 1 0 380.330 2.796 20 0 GFADRO O=C(Nc1ccc(N2CC[NH2+]CC2)cn1)c1ccc(F)c(Br)c1 ZINC000261642448 553155352 /nfs/dbraw/zinc/15/53/52/553155352.db2.gz FBZSUZSVXZMILB-UHFFFAOYSA-N 1 0 379.233 2.645 20 0 GFADRO COc1cccc(CNC(=O)[C@](C)([NH3+])c2ccc(Br)cc2)c1OC ZINC000261677153 553156146 /nfs/dbraw/zinc/15/61/46/553156146.db2.gz GMWARCBADFDNOH-GOSISDBHSA-N 1 0 393.281 2.957 20 0 GFADRO COCC1(CNC(=O)[C@@H](C)Oc2cc(Cl)cc(Cl)c2)CC[NH2+]CC1 ZINC000261702586 553156411 /nfs/dbraw/zinc/15/64/11/553156411.db2.gz JSZAVAMIOVGWAB-GFCCVEGCSA-N 1 0 375.296 2.893 20 0 GFADRO COCC1(CNC(=O)C2(c3ccc(Br)cc3)CC2)CC[NH2+]CC1 ZINC000261770678 553158494 /nfs/dbraw/zinc/15/84/94/553158494.db2.gz RGWXGXJOSGSPNS-UHFFFAOYSA-N 1 0 381.314 2.613 20 0 GFADRO O=C(NC[C@H]1CCCN(Cc2ccc(Br)cc2F)C1)[C@H]1CCC[NH2+]1 ZINC000261770585 553158811 /nfs/dbraw/zinc/15/88/11/553158811.db2.gz WXBLPVOOUZMRED-CXAGYDPISA-N 1 0 398.320 2.668 20 0 GFADRO Cc1noc(C)c1C[C@@H](C)NC(=O)[C@](C)([NH3+])c1ccc(Br)cc1 ZINC000261837350 553160433 /nfs/dbraw/zinc/16/04/33/553160433.db2.gz UQLFBHLPIYHCDI-BMLIUANNSA-N 1 0 380.286 2.975 20 0 GFADRO CC1(C)CN(C(=O)[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)CC[C@H]1[NH3+] ZINC000261838304 553160457 /nfs/dbraw/zinc/16/04/57/553160457.db2.gz LMRJFBMBRKQBJW-IUODEOHRSA-N 1 0 384.307 2.932 20 0 GFADRO Cc1noc(C2CCN(C(=O)[C@@](C)([NH3+])c3ccc(Br)cc3)CC2)n1 ZINC000261867552 553161579 /nfs/dbraw/zinc/16/15/79/553161579.db2.gz XPEGPPPDBKAEJQ-KRWDZBQOSA-N 1 0 393.285 2.721 20 0 GFADRO CC(C)Sc1ccc(C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)cc1 ZINC000261937199 553162701 /nfs/dbraw/zinc/16/27/01/553162701.db2.gz JBIMOZFFLRAFNB-OAHLLOKOSA-N 1 0 375.460 2.753 20 0 GFADRO Cc1cc(C(=O)N2CC[C@@](C)(C[NH3+])C2)nn1-c1ccc(Br)cc1 ZINC000262026174 553164874 /nfs/dbraw/zinc/16/48/74/553164874.db2.gz PAOUXKDXTKDNOQ-KRWDZBQOSA-N 1 0 377.286 2.754 20 0 GFADRO [NH3+]C1(c2noc(-c3n[nH]c4ccc(I)cc43)n2)CCC1 ZINC000262040570 553164883 /nfs/dbraw/zinc/16/48/83/553164883.db2.gz YHJFPFHSUPUAHX-UHFFFAOYSA-N 1 0 381.177 2.555 20 0 GFADRO O=C(c1cc(Br)cc2ccccc21)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000262073114 553165395 /nfs/dbraw/zinc/16/53/95/553165395.db2.gz PMLFEYYBFZKQHR-MRXNPFEDSA-N 1 0 388.309 2.722 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CCCN(S(=O)(=O)c2cccc(Br)c2Cl)C1 ZINC000262105630 553165749 /nfs/dbraw/zinc/16/57/49/553165749.db2.gz UATABMDRRKFMNO-NXEZZACHSA-N 1 0 381.723 2.850 20 0 GFADRO [NH3+]CCC(=O)NC[C@H]1CCCCN1Cc1cc(Br)c(Cl)s1 ZINC000262093850 553165875 /nfs/dbraw/zinc/16/58/75/553165875.db2.gz UZLMMCYIANCTDI-SNVBAGLBSA-N 1 0 394.766 2.984 20 0 GFADRO O=C(NCc1cc(Br)c2c(c1)OCCO2)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000262175175 553167088 /nfs/dbraw/zinc/16/70/88/553167088.db2.gz KMSPOFFGXWNYHZ-SCLBCKFNSA-N 1 0 395.297 2.616 20 0 GFADRO O=S(=O)(Cc1ccccc1C(F)(F)F)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000262232029 553167445 /nfs/dbraw/zinc/16/74/45/553167445.db2.gz GYJDTSZHPTXVAV-INIZCTEOSA-N 1 0 376.444 2.999 20 0 GFADRO O=C(c1csc(-c2ccc(Cl)s2)n1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000262237879 553168091 /nfs/dbraw/zinc/16/80/91/553168091.db2.gz HMJAHFJSETYXRH-LLVKDONJSA-N 1 0 382.942 2.645 20 0 GFADRO Cc1cccc(S(=O)(=O)NC[C@H]2[NH2+]CCc3ccccc32)c1Br ZINC000262271331 553168624 /nfs/dbraw/zinc/16/86/24/553168624.db2.gz KKRQNHMWDAWWDY-OAHLLOKOSA-N 1 0 395.322 2.923 20 0 GFADRO O=C(CCNC(=O)[C@]12C[NH2+]C[C@@H]1CCCC2)Nc1ccc(Br)cc1 ZINC000262278152 553168694 /nfs/dbraw/zinc/16/86/94/553168694.db2.gz WSJFQXGKPZPRIF-SCLBCKFNSA-N 1 0 394.313 2.674 20 0 GFADRO COCC1(C(=O)NCC(C)(C)c2ccc(Br)cc2)CC[NH2+]CC1 ZINC000262390307 553169716 /nfs/dbraw/zinc/16/97/16/553169716.db2.gz PHTTYOIZSNPHLG-UHFFFAOYSA-N 1 0 383.330 2.859 20 0 GFADRO CCN(CCOc1ccc(Br)cc1)C(=O)C1(COC)CC[NH2+]CC1 ZINC000262413164 553170482 /nfs/dbraw/zinc/17/04/82/553170482.db2.gz SXKUNRUBSDLANX-UHFFFAOYSA-N 1 0 399.329 2.693 20 0 GFADRO O=C(NCc1ccc(Br)cc1Oc1ccccc1)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000262519437 553171773 /nfs/dbraw/zinc/17/17/73/553171773.db2.gz NOZRDOONEDYHCD-GDBMZVCRSA-N 1 0 391.265 2.580 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)Cc2csc(NC(=O)c3cccs3)n2)C1 ZINC000262608890 553172830 /nfs/dbraw/zinc/17/28/30/553172830.db2.gz ZYVIDSGQSRXMEW-VXGBXAGGSA-N 1 0 378.523 2.585 20 0 GFADRO [NH3+]CC1(NC(=O)c2ccc(I)cc2Cl)CCCC1 ZINC000262583938 553172977 /nfs/dbraw/zinc/17/29/77/553172977.db2.gz SFUSQYJZMPDPRN-UHFFFAOYSA-N 1 0 378.641 2.946 20 0 GFADRO CC(C)C[C@@](C)(C[NH3+])NC(=O)Cc1csc(NC(=O)c2cccs2)n1 ZINC000262644855 553173659 /nfs/dbraw/zinc/17/36/59/553173659.db2.gz UMNLKTISEVGDHA-KRWDZBQOSA-N 1 0 380.539 2.879 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)c1cc(F)ccc1I ZINC000262768052 553175034 /nfs/dbraw/zinc/17/50/34/553175034.db2.gz TVVJIFRQPUKPDS-RNCFNFMXSA-N 1 0 376.213 2.772 20 0 GFADRO C[C@@H]1[NH2+]CCN(C(=O)c2ccc(Cl)c(I)c2)[C@H]1C ZINC000262751946 553175137 /nfs/dbraw/zinc/17/51/37/553175137.db2.gz GVHCERFTFNOQSZ-IUCAKERBSA-N 1 0 378.641 2.767 20 0 GFADRO [NH3+]Cc1cc(C(=O)NC[C@@H]2CCN(c3cccc(Br)c3)C2)co1 ZINC000262788347 553175681 /nfs/dbraw/zinc/17/56/81/553175681.db2.gz NDCYVKVQIHBIFU-LBPRGKRZSA-N 1 0 378.270 2.757 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)N[C@H]1CC[NH2+][C@@H](C)C1 ZINC000262784555 553175849 /nfs/dbraw/zinc/17/58/49/553175849.db2.gz CNTKLCKXBYJBQH-ZNMIVQPWSA-N 1 0 384.567 2.608 20 0 GFADRO C[C@H](Cc1ccc(Br)cc1)NC(=O)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000262798376 553176093 /nfs/dbraw/zinc/17/60/93/553176093.db2.gz PALSKZCVYJAPGW-CZUORRHYSA-N 1 0 391.313 2.931 20 0 GFADRO C[C@H]1C[C@@H](NS(=O)(=O)c2c(Cl)cc(F)cc2Br)CC[NH2+]1 ZINC000262799228 553176294 /nfs/dbraw/zinc/17/62/94/553176294.db2.gz QJGCTCGJXOQHKN-CBAPKCEASA-N 1 0 385.686 2.660 20 0 GFADRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)[C@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1 ZINC000262794468 553176313 /nfs/dbraw/zinc/17/63/13/553176313.db2.gz NGISRVOXRXPIDH-XFBWCDHKSA-N 1 0 384.307 2.712 20 0 GFADRO Cc1c(C(=O)N[C@H]2CC[NH2+][C@H](C)C2)cnn1-c1ccc(Br)cc1 ZINC000262827917 553176624 /nfs/dbraw/zinc/17/66/24/553176624.db2.gz HMDYKOHDLNILLV-RISCZKNCSA-N 1 0 377.286 2.814 20 0 GFADRO CCOc1cc(Br)c(CC(=O)N2CC[NH2+][C@@H](C)[C@@H]2C)cc1OCC ZINC000262850365 553177359 /nfs/dbraw/zinc/17/73/59/553177359.db2.gz ZMVKUQHSTGDCED-STQMWFEESA-N 1 0 399.329 2.998 20 0 GFADRO CN(C)C(=O)CC[NH+]1CCC(C(=O)Nc2ccccc2Br)CC1 ZINC000263680369 553190889 /nfs/dbraw/zinc/19/08/89/553190889.db2.gz FNBICOIRXJFABG-UHFFFAOYSA-N 1 0 382.302 2.578 20 0 GFADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCC(C(=O)Nc2ccccc2Br)CC1 ZINC000263689378 553191603 /nfs/dbraw/zinc/19/16/03/553191603.db2.gz GUJRHCLAHWRUKK-INIZCTEOSA-N 1 0 394.313 2.720 20 0 GFADRO C[NH+](C)CC(C)(C)CNS(=O)(=O)c1ccc(Cl)cc1Br ZINC000541213418 564269316 /nfs/dbraw/zinc/26/93/16/564269316.db2.gz PDUGOEQRYGWFOQ-UHFFFAOYSA-N 1 0 383.739 2.969 20 0 GFADRO Cc1ccc(S(=O)(=O)N[C@@H]2CCC[N@@H+](C(C)C)C2)c(Br)c1 ZINC000474571926 564281271 /nfs/dbraw/zinc/28/12/71/564281271.db2.gz CDVKJJIIZHOUMV-CYBMUJFWSA-N 1 0 375.332 2.909 20 0 GFADRO C[C@H](CCc1ccc(I)cc1)[NH2+][C@H](CO)[C@@H]1CCCO1 ZINC000475225157 564303718 /nfs/dbraw/zinc/30/37/18/564303718.db2.gz TUQZSBZORGWXNA-WQVCFCJDSA-N 1 0 389.277 2.742 20 0 GFADRO COCCOC1(C[NH2+][C@@H](C)c2ncc(Br)s2)CCOCC1 ZINC000453254482 564450420 /nfs/dbraw/zinc/45/04/20/564450420.db2.gz ADHOTAHSOIAYDQ-NSHDSACASA-N 1 0 379.320 2.768 20 0 GFADRO CCOC(=O)CC[C@H](O)C[NH2+]CCc1cc(Cl)ccc1Br ZINC000570155594 564493430 /nfs/dbraw/zinc/49/34/30/564493430.db2.gz NUYUIPRLDQSFTK-ZDUSSCGKSA-N 1 0 378.694 2.939 20 0 GFADRO C[C@@]1(NC(=O)Nc2ccc(Cl)cc2I)CC[NH2+]C1 ZINC000596119665 565513767 /nfs/dbraw/zinc/51/37/67/565513767.db2.gz NKIHCYOLNBDDPP-GFCCVEGCSA-N 1 0 379.629 2.818 20 0 GFADRO C[C@@H]1CCN(S(=O)(=O)c2cc(Br)ccc2Cl)C[C@@H]1C[NH3+] ZINC000420480796 563266118 /nfs/dbraw/zinc/26/61/18/563266118.db2.gz PMMUWWHETCGEFV-ZJUUUORDSA-N 1 0 381.723 2.708 20 0 GFADRO [NH3+]C1C[C@H]2CCC[C@@H](C1)N2S(=O)(=O)c1cc(Br)c(F)cc1F ZINC000374392177 563370781 /nfs/dbraw/zinc/37/07/81/563370781.db2.gz KFBYNHXQZBNPII-PBINXNQUSA-N 1 0 395.269 2.760 20 0 GFADRO C[N@@H+]1C[C@@H]2CCCN(S(=O)(=O)c3ccc(Br)cc3Cl)[C@@H]2C1 ZINC000425214158 563411825 /nfs/dbraw/zinc/41/18/25/563411825.db2.gz IQFCURHRZXVDLT-GXFFZTMASA-N 1 0 393.734 2.817 20 0 GFADRO CS(=O)(=O)N1CCC([NH2+][C@@H]2CCc3sc(Br)cc32)CC1 ZINC000312648263 563436880 /nfs/dbraw/zinc/43/68/80/563436880.db2.gz IZNHOJAOZKRTEL-LLVKDONJSA-N 1 0 379.345 2.512 20 0 GFADRO CC[N@H+](CCNS(=O)(=O)c1c(Cl)cccc1Br)C1CC1 ZINC000380123784 563514224 /nfs/dbraw/zinc/51/42/24/563514224.db2.gz RJYWYEIGEOSPEW-UHFFFAOYSA-N 1 0 381.723 2.865 20 0 GFADRO O=C(NCCC[NH2+]C1CC1)NCCc1c[nH]c2cccc(Br)c12 ZINC000418199980 563213116 /nfs/dbraw/zinc/21/31/16/563213116.db2.gz OYQANAPNOKIOCQ-UHFFFAOYSA-N 1 0 379.302 2.914 20 0 GFADRO [NH3+]CCCN(Cc1ccccc1)C(=O)NCCCn1cc(Br)cn1 ZINC000418200339 563213337 /nfs/dbraw/zinc/21/33/37/563213337.db2.gz YIZIKGAYGVAUHB-UHFFFAOYSA-N 1 0 394.317 2.596 20 0 GFADRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)NCCc1c[nH]c2cccc(Br)c12 ZINC000418202933 563213436 /nfs/dbraw/zinc/21/34/36/563213436.db2.gz USJNMQNKUGTREY-NEPJUHHUSA-N 1 0 379.302 2.852 20 0 GFADRO O=C(NCC1(c2ccccc2Br)CCC1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000418226618 563214024 /nfs/dbraw/zinc/21/40/24/563214024.db2.gz ZFJLLYJIIALSBC-OKILXGFUSA-N 1 0 378.314 2.732 20 0 GFADRO O=C(N[C@@H]1CCc2c1ccc(F)c2Br)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000418243193 563214200 /nfs/dbraw/zinc/21/42/00/563214200.db2.gz BPXVZMODSZTNGO-COLVAYQJSA-N 1 0 382.277 2.969 20 0 GFADRO O=C(NCCCN1CC[NH2+]CC1)N1CC[C@@H](Sc2cccc(Cl)c2)C1 ZINC000418290679 563215490 /nfs/dbraw/zinc/21/54/90/563215490.db2.gz SQIHNMGCNWEKDX-QGZVFWFLSA-N 1 0 382.961 2.511 20 0 GFADRO [NH3+]C1(CNC(=O)NC[C@@H](O)COc2cccc(Cl)c2Cl)CCCCC1 ZINC000418294507 563215649 /nfs/dbraw/zinc/21/56/49/563215649.db2.gz HOCOXCXGJIUIPT-GFCCVEGCSA-N 1 0 390.311 2.694 20 0 GFADRO CC(C)[C@H]([NH3+])CNC(=O)N1CCN([C@H](C)c2ccc(Br)cc2)CC1 ZINC000418374882 563216154 /nfs/dbraw/zinc/21/61/54/563216154.db2.gz DCVCOGGOPDAEIN-RHSMWYFYSA-N 1 0 397.361 2.821 20 0 GFADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)c1cc(Cl)c(Br)cc1F ZINC000294760515 563216390 /nfs/dbraw/zinc/21/63/90/563216390.db2.gz YDTLMHCQFIOMCH-JTQLQIEISA-N 1 0 392.700 2.607 20 0 GFADRO CC(C)C[C@H](C[NH3+])NC(=O)N1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000418422325 563216946 /nfs/dbraw/zinc/21/69/46/563216946.db2.gz AMWNVKMUCGYENR-HZPDHXFCSA-N 1 0 384.318 2.905 20 0 GFADRO O=C([C@@H]1CCC[N@@H+]1Cc1ccccc1)N1CCn2c(Br)cnc2C1 ZINC000277638412 563217883 /nfs/dbraw/zinc/21/78/83/563217883.db2.gz ZIRKBVVYWSWVRD-HNNXBMFYSA-N 1 0 389.297 2.652 20 0 GFADRO CCOc1ccc(Br)cc1CN(C(=O)NCC1C[NH2+]C1)C1CC1 ZINC000418493396 563218413 /nfs/dbraw/zinc/21/84/13/563218413.db2.gz WIKVJHXFRZPDIT-UHFFFAOYSA-N 1 0 382.302 2.741 20 0 GFADRO CC1(CNC(=O)N2CCO[C@H](c3cccc(Br)c3)C2)CC[NH2+]CC1 ZINC000418511513 563218429 /nfs/dbraw/zinc/21/84/29/563218429.db2.gz CTQNSZUCQYMFHF-INIZCTEOSA-N 1 0 396.329 2.922 20 0 GFADRO [NH3+][C@@H](CNC(=O)N1CCN(CCc2ccc(Cl)c(Cl)c2)CC1)C1CC1 ZINC000418500448 563218535 /nfs/dbraw/zinc/21/85/35/563218535.db2.gz PPUHBJQFEXQSFB-KRWDZBQOSA-N 1 0 385.339 2.600 20 0 GFADRO CC1(CNC(=O)N2CCO[C@@H](c3ccc(Br)cc3)C2)CC[NH2+]CC1 ZINC000418518741 563219135 /nfs/dbraw/zinc/21/91/35/563219135.db2.gz NGVVUTBVLMWBOC-MRXNPFEDSA-N 1 0 396.329 2.922 20 0 GFADRO CC[NH2+][C@H](C)CNC(=O)N1CCN([C@H](C)c2ccc(Br)cc2)CC1 ZINC000418601609 563220832 /nfs/dbraw/zinc/22/08/32/563220832.db2.gz LMNZKCHGUSBDGO-HUUCEWRRSA-N 1 0 397.361 2.835 20 0 GFADRO CCN(Cc1cccc(Br)c1)C(=O)NCC1(COC)CC[NH2+]CC1 ZINC000418641252 563221555 /nfs/dbraw/zinc/22/15/55/563221555.db2.gz PYDZMRIXCCZZPO-UHFFFAOYSA-N 1 0 398.345 2.997 20 0 GFADRO COc1cc(CNCCC[N@@H+]2CCCO[C@@H](C)C2)cc(Br)c1O ZINC000277713265 563221862 /nfs/dbraw/zinc/22/18/62/563221862.db2.gz IVBDBALVHTYWFI-ZDUSSCGKSA-N 1 0 387.318 2.754 20 0 GFADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)Nc1cc(F)cc(Br)c1F ZINC000369721970 563222574 /nfs/dbraw/zinc/22/25/74/563222574.db2.gz HWUQGCFWSXWJPT-GHMZBOCLSA-N 1 0 390.228 2.712 20 0 GFADRO [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)N[C@H](CCO)c1ccccc1Br ZINC000418740559 563223726 /nfs/dbraw/zinc/22/37/26/563223726.db2.gz OBXZZQUNRBMBFW-FYWYSVISSA-N 1 0 396.329 2.688 20 0 GFADRO COc1cc(Br)c(C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@H]32)cc1OC ZINC000294974249 563223723 /nfs/dbraw/zinc/22/37/23/563223723.db2.gz LGKQBIHHMGKQAF-SMDDNHRTSA-N 1 0 383.286 2.633 20 0 GFADRO Cn1ncc(Br)c1C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000294991897 563224887 /nfs/dbraw/zinc/22/48/87/563224887.db2.gz KTFWDDMPLWRQJZ-UHFFFAOYSA-N 1 0 377.286 2.708 20 0 GFADRO O=C(NCCC[C@@H]1CCC[NH2+]1)N1CCN(c2cccc(Br)c2)CC1 ZINC000418769256 563225141 /nfs/dbraw/zinc/22/51/41/563225141.db2.gz NCRBOKCTFZECLR-INIZCTEOSA-N 1 0 395.345 2.813 20 0 GFADRO [NH3+]CC[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2C[C@H]2c2ccc(Cl)cc2Cl)C1 ZINC000418814694 563226660 /nfs/dbraw/zinc/22/66/60/563226660.db2.gz GUEWTOMQQNHQBF-HZUKXOBISA-N 1 0 384.307 2.553 20 0 GFADRO C[C@@H](NC(=O)C(=O)N[C@@H](C)c1cc(F)c(Cl)cc1Cl)[C@H]1CCC[NH2+]C1 ZINC000418830830 563226716 /nfs/dbraw/zinc/22/67/16/563226716.db2.gz FZQQAKFELVJWCZ-VWYCJHECSA-N 1 0 390.286 2.814 20 0 GFADRO CC(C)[C@@H](CNC(=O)C(=O)N(C)[C@H](C)C[NH3+])Cc1ccc(Cl)cc1Cl ZINC000418855646 563227839 /nfs/dbraw/zinc/22/78/39/563227839.db2.gz MYEPJOOAKYTEQB-TZMCWYRMSA-N 1 0 388.339 2.730 20 0 GFADRO COC[C@]1(C(=O)OC)CCN([C@H](C)C(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000295073840 563228296 /nfs/dbraw/zinc/22/82/96/563228296.db2.gz CULLLHYUDYALPM-DIFFPNOSSA-N 1 0 389.279 2.832 20 0 GFADRO CCCC[C@H](C[NH3+])NC(=O)C(=O)N[C@H](C)c1cc(F)c(Cl)cc1Cl ZINC000418854490 563228239 /nfs/dbraw/zinc/22/82/39/563228239.db2.gz TYDIBPVUXKKLLL-NXEZZACHSA-N 1 0 378.275 2.943 20 0 GFADRO C[N@H+](Cc1ccc(Br)c2cccnc12)[C@@H]1CCN2CCO[C@H]1C2 ZINC000295143393 563230616 /nfs/dbraw/zinc/23/06/16/563230616.db2.gz QFLHSOHMFCABPU-SJORKVTESA-N 1 0 376.298 2.902 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CNC(=O)[C@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC000370005542 563230660 /nfs/dbraw/zinc/23/06/60/563230660.db2.gz AEJOOMFVYSQYLN-ZFWWWQNUSA-N 1 0 394.313 2.687 20 0 GFADRO COc1cc(CNC(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)cc(Br)c1OC ZINC000370013783 563230888 /nfs/dbraw/zinc/23/08/88/563230888.db2.gz XDZJXYPKWQPGIB-ZIAGYGMSSA-N 1 0 397.313 2.957 20 0 GFADRO CCCC[C@@H](C[NH3+])NC(=O)C(=O)N[C@@H](CC)Cc1ccccc1Br ZINC000419050527 563232968 /nfs/dbraw/zinc/23/29/68/563232968.db2.gz DHLSQCPAPQEXOV-GJZGRUSLSA-N 1 0 398.345 2.520 20 0 GFADRO C[C@H]([NH2+]C[C@H]1CCC[C@@]12NC(=O)N(C)C2=O)c1cc(Br)cs1 ZINC000370094947 563233450 /nfs/dbraw/zinc/23/34/50/563233450.db2.gz QIOJDCZJIIRKGV-FEUHOPSXSA-N 1 0 386.315 2.882 20 0 GFADRO CC[NH2+]CC1CCN(C(=O)C(=O)NCCc2cc(Cl)cc(Cl)c2)CC1 ZINC000419157818 563234497 /nfs/dbraw/zinc/23/44/97/563234497.db2.gz WRSGNBKXWUDULZ-UHFFFAOYSA-N 1 0 386.323 2.500 20 0 GFADRO C[C@H]1C[C@H](NC(=O)c2c(Br)cnn2C)C[N@@H+]1Cc1ccccc1 ZINC000295196367 563234825 /nfs/dbraw/zinc/23/48/25/563234825.db2.gz VMWPIZOVZOSKNZ-JSGCOSHPSA-N 1 0 377.286 2.575 20 0 GFADRO CO[C@H](C[NH2+][C@H](C(N)=O)c1ccc(Br)cc1)Cc1ccccc1 ZINC000419213959 563235488 /nfs/dbraw/zinc/23/54/88/563235488.db2.gz JRDIJRGNQFROPP-IRXDYDNUSA-N 1 0 377.282 2.823 20 0 GFADRO CN(C)S(=O)(=O)c1ccc(OCC[N@@H+]2CCSC[C@@H]2C2CCC2)cc1 ZINC000419368694 563239168 /nfs/dbraw/zinc/23/91/68/563239168.db2.gz XKWDRRWXCBWRAU-GOSISDBHSA-N 1 0 384.567 2.533 20 0 GFADRO Cc1ccc(C(=O)N[C@@H]2CCc3[nH]cnc3C2)cc1I ZINC000370339679 563240307 /nfs/dbraw/zinc/24/03/07/563240307.db2.gz AELASXGKRQUXJG-LLVKDONJSA-N 1 0 381.217 2.610 20 0 GFADRO C[C@H](CNC(=O)C(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1)c1c(Cl)cccc1Cl ZINC000419517163 563241319 /nfs/dbraw/zinc/24/13/19/563241319.db2.gz MDFLVBNRQHBJSK-JHJVBQTASA-N 1 0 386.323 2.656 20 0 GFADRO COC[C@H](C)OC[C@H](O)C[N@H+](CCCO)Cc1ccc(Cl)c(Cl)c1 ZINC000278125944 563241830 /nfs/dbraw/zinc/24/18/30/563241830.db2.gz VLCGSIKBPRPINU-DZGCQCFKSA-N 1 0 380.312 2.590 20 0 GFADRO COC(=O)[C@H](NC(=O)C1CC[NH+](C2CC2)CC1)c1ccc(Br)cc1 ZINC000278210264 563244771 /nfs/dbraw/zinc/24/47/71/563244771.db2.gz GTNCLFDVHHQZAG-MRXNPFEDSA-N 1 0 395.297 2.654 20 0 GFADRO C[NH+](C)[C@@H]1Cc2ccccc2N(C(=O)Cc2cc[nH]c(=O)c2Br)C1 ZINC000370459559 563245045 /nfs/dbraw/zinc/24/50/45/563245045.db2.gz INWWOQSGUUHIFZ-CQSZACIVSA-N 1 0 390.281 2.612 20 0 GFADRO Cc1cc(Br)ccc1C[N@@H+](C)[C@H]1CCN(C2CCOCC2)C1=O ZINC000370497432 563245606 /nfs/dbraw/zinc/24/56/06/563245606.db2.gz BWJCMJQTWVSOGS-KRWDZBQOSA-N 1 0 381.314 2.969 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+]C[C@H]2CCO[C@@H]2c2ccccc2)cc1Cl ZINC000419691511 563246336 /nfs/dbraw/zinc/24/63/36/563246336.db2.gz WZXMVQVFQVEAHN-CRAIPNDOSA-N 1 0 380.897 2.855 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)C(=O)NCC(C)(C)c2c(Cl)cccc2Cl)CC[NH2+]1 ZINC000419699595 563246855 /nfs/dbraw/zinc/24/68/55/563246855.db2.gz WPPDAVLWYZZQLM-NEPJUHHUSA-N 1 0 386.323 2.644 20 0 GFADRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)NCC(C)(C)c1c(Cl)cccc1Cl ZINC000419699542 563246892 /nfs/dbraw/zinc/24/68/92/563246892.db2.gz WGWXGMVOAJTNSO-VXGBXAGGSA-N 1 0 386.323 2.583 20 0 GFADRO COc1cc(CC[NH2+]Cc2ccc(S(N)(=O)=O)c(Cl)c2)ccc1Cl ZINC000419751929 563249482 /nfs/dbraw/zinc/24/94/82/563249482.db2.gz VLIFQLFFDPCHAO-UHFFFAOYSA-N 1 0 389.304 2.982 20 0 GFADRO CC[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)N[C@@H]1CCC[NH2+][C@H]1C ZINC000419755138 563249742 /nfs/dbraw/zinc/24/97/42/563249742.db2.gz PYHNWBFSYLCKMK-SGIREYDYSA-N 1 0 386.323 2.687 20 0 GFADRO CC(C)[N@@H+]1CCc2nc(CNc3ccc4c(c3)S(=O)(=O)CC4)sc2C1 ZINC000419761320 563250133 /nfs/dbraw/zinc/25/01/33/563250133.db2.gz BUKLOHGIMGBKQS-UHFFFAOYSA-N 1 0 377.535 2.852 20 0 GFADRO Cc1nnc(COCC(=O)NCc2c(Cl)cccc2-n2ccnc2)s1 ZINC000295491335 563250349 /nfs/dbraw/zinc/25/03/49/563250349.db2.gz JKZHYJZSJPXOEW-UHFFFAOYSA-N 1 0 377.857 2.519 20 0 GFADRO C[C@@H]1c2cc(Cl)c(Cl)cc2CCN1C(=O)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000419856978 563252376 /nfs/dbraw/zinc/25/23/76/563252376.db2.gz JQNPAQFFFYXNSE-VXGBXAGGSA-N 1 0 384.307 2.555 20 0 GFADRO C[C@H]1c2cc(Cl)cc(Cl)c2CCN1C(=O)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000419920694 563252907 /nfs/dbraw/zinc/25/29/07/563252907.db2.gz XABQJVMIUGCDON-RYUDHWBXSA-N 1 0 384.307 2.555 20 0 GFADRO O=C(Cc1cc(F)ccc1Br)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000370778366 563255021 /nfs/dbraw/zinc/25/50/21/563255021.db2.gz FQHWWQXEXQBUNG-HNNXBMFYSA-N 1 0 385.277 2.500 20 0 GFADRO O=C(c1ccn(-c2cccc(Br)c2)n1)N(C1CC1)C1CC[NH2+]CC1 ZINC000370789806 563255579 /nfs/dbraw/zinc/25/55/79/563255579.db2.gz XMFPOHJVZKDLMG-UHFFFAOYSA-N 1 0 389.297 2.991 20 0 GFADRO Cc1cc([C@@H]2CCCN2C(=O)C(=O)NC[C@H]([NH3+])C(C)C)ccc1Br ZINC000420015849 563256917 /nfs/dbraw/zinc/25/69/17/563256917.db2.gz MIYSOVMMOOTQJE-HOTGVXAUSA-N 1 0 396.329 2.521 20 0 GFADRO CC(C)([NH3+])CNC(=O)C(=O)N1CCC(=Cc2cc(Cl)ccc2Cl)CC1 ZINC000420058315 563257144 /nfs/dbraw/zinc/25/71/44/563257144.db2.gz OEHZSEVBPNSNOM-UHFFFAOYSA-N 1 0 384.307 2.853 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2C(=O)c1c(F)cccc1Br ZINC000370828226 563257445 /nfs/dbraw/zinc/25/74/45/563257445.db2.gz YQTIJBQDTJZMSE-KCPJHIHWSA-N 1 0 385.277 2.912 20 0 GFADRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)N1CCc2cc(Cl)cc(Cl)c2[C@@H]1C ZINC000420110486 563259077 /nfs/dbraw/zinc/25/90/77/563259077.db2.gz ZOWGERBSLJNJDR-JRPNMDOOSA-N 1 0 384.307 2.553 20 0 GFADRO CC(C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000420135376 563259079 /nfs/dbraw/zinc/25/90/79/563259079.db2.gz VEIOZHVHOVAWSJ-LRDDRELGSA-N 1 0 386.323 2.845 20 0 GFADRO O=C(CN1CC[NH+](C[C@H]2CCSC2)CC1)Nc1ccc(Br)cc1 ZINC000278506482 563259322 /nfs/dbraw/zinc/25/93/22/563259322.db2.gz WHGQOHMXPSOQQQ-CQSZACIVSA-N 1 0 398.370 2.758 20 0 GFADRO COCc1nc2n(n1)C[C@H]([NH2+][C@H]1CCc3c1ccc(F)c3Br)CC2 ZINC000295714779 563259360 /nfs/dbraw/zinc/25/93/60/563259360.db2.gz NCVQIWLUUQWQFZ-YGRLFVJLSA-N 1 0 395.276 2.918 20 0 GFADRO CC[NH2+][C@H](C)CNC(=O)C(=O)N(Cc1ccccc1Br)CC(C)C ZINC000420165826 563259737 /nfs/dbraw/zinc/25/97/37/563259737.db2.gz HDRASDDQAMQJMO-CQSZACIVSA-N 1 0 398.345 2.548 20 0 GFADRO C[C@@H]1[C@H](CC(F)(F)F)C[C@H](C)[N@H+]1CCOc1ccc(S(N)(=O)=O)cc1 ZINC000295787421 563262398 /nfs/dbraw/zinc/26/23/98/563262398.db2.gz UWAPETDUQDIPSL-XQQFMLRXSA-N 1 0 380.432 2.764 20 0 GFADRO C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420370292 563262631 /nfs/dbraw/zinc/26/26/31/563262631.db2.gz LGAFWKZDLKSCCU-DNVCBOLYSA-N 1 0 394.357 2.872 20 0 GFADRO NC(=O)[C@@H](c1ccc(Br)cc1)N1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000420395734 563262648 /nfs/dbraw/zinc/26/26/48/563262648.db2.gz UOMKSQGZIGOIDV-GVDBMIGSSA-N 1 0 392.272 2.541 20 0 GFADRO O=S(=O)(c1ccc(F)c(C(F)(F)F)c1)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420450789 563263650 /nfs/dbraw/zinc/26/36/50/563263650.db2.gz AYDDCXQSGOJVIB-ABAIWWIYSA-N 1 0 380.407 2.997 20 0 GFADRO O=S(=O)(Cc1ccc(Br)cc1)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420467386 563264519 /nfs/dbraw/zinc/26/45/19/563264519.db2.gz SEUXMHNMGVQUBL-HOCLYGCPSA-N 1 0 387.343 2.743 20 0 GFADRO C[NH2+]CCCN(C)S(=O)(=O)c1cc(C(F)(F)F)ccc1Br ZINC000420473758 563264917 /nfs/dbraw/zinc/26/49/17/563264917.db2.gz WIVNJRYXRHJQEI-UHFFFAOYSA-N 1 0 389.237 2.698 20 0 GFADRO O=S(=O)(c1cc(Br)ccc1F)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420470551 563265030 /nfs/dbraw/zinc/26/50/30/563265030.db2.gz XAALYFWTLCTOOR-FZMZJTMJSA-N 1 0 391.306 2.741 20 0 GFADRO [NH3+]C1(CNS(=O)(=O)c2ccc(Cl)s2)CCN(Cc2ccccc2)CC1 ZINC000420473741 563265100 /nfs/dbraw/zinc/26/51/00/563265100.db2.gz WDERXCKJZZNXHK-UHFFFAOYSA-N 1 0 399.969 2.673 20 0 GFADRO CCc1ccccc1[C@@H]([NH3+])CNS(=O)(=O)c1ccccc1Br ZINC000420472238 563265303 /nfs/dbraw/zinc/26/53/03/563265303.db2.gz ZJZYQICSFWYBCP-HNNXBMFYSA-N 1 0 383.311 2.990 20 0 GFADRO O=S(=O)(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1cc(Cl)ccc1OC(F)F ZINC000420649897 563269833 /nfs/dbraw/zinc/26/98/33/563269833.db2.gz DUFNFAGOGIMOTP-RYUDHWBXSA-N 1 0 380.844 2.847 20 0 GFADRO O=S1(=O)CCC[C@H](C[NH2+][C@@H]2CCc3c2ccc(F)c3Br)C1 ZINC000296047985 563271932 /nfs/dbraw/zinc/27/19/32/563271932.db2.gz OKHAUCGRSVMZPQ-QMTHXVAHSA-N 1 0 376.291 2.990 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]C[C@@](C)(OC)C1CC1 ZINC000296047787 563272130 /nfs/dbraw/zinc/27/21/30/563272130.db2.gz OIQOFUMSRLIACF-KPZWWZAWSA-N 1 0 399.329 2.867 20 0 GFADRO CC(C)n1nc2c(cc1=O)CN(Cc1cc(O)ccc1Br)CC2 ZINC000371333121 563273464 /nfs/dbraw/zinc/27/34/64/563273464.db2.gz CMIDGBFVTQERAA-UHFFFAOYSA-N 1 0 378.270 2.851 20 0 GFADRO C[C@H](C1CC[NH+](C)CC1)N(C)S(=O)(=O)c1cc(F)ccc1OC(F)F ZINC000420687019 563273919 /nfs/dbraw/zinc/27/39/19/563273919.db2.gz KRLHLJRUXWHUKD-LLVKDONJSA-N 1 0 380.432 2.778 20 0 GFADRO CC[C@H](NC(=O)NC[C@@H]1CC[N@H+](C)[C@@H]1c1cccs1)[C@H](O)C(F)(F)F ZINC000371384051 563276269 /nfs/dbraw/zinc/27/62/69/563276269.db2.gz IGCHPIBLQOFYMQ-IMIFBBOLSA-N 1 0 379.448 2.742 20 0 GFADRO CC(C)(C)[C@H](CO)[NH2+]Cc1nnnn1-c1ccc(Cl)cc1C(F)(F)F ZINC000278932678 563276682 /nfs/dbraw/zinc/27/66/82/563276682.db2.gz XKNYKCAVSZYKDG-LBPRGKRZSA-N 1 0 377.798 2.831 20 0 GFADRO CC(C)(CN[C@H]1CCn2ccnc21)S(=O)(=O)c1ccc(Br)cc1 ZINC000296237524 563280397 /nfs/dbraw/zinc/28/03/97/563280397.db2.gz APBNZKQLOSRGAE-AWEZNQCLSA-N 1 0 398.326 2.933 20 0 GFADRO Cc1nn(C)c(C[NH2+]CCNc2nccc(C(F)(F)F)n2)c1Br ZINC000279034894 563281240 /nfs/dbraw/zinc/28/12/40/563281240.db2.gz BVZNBTKBAPONCQ-UHFFFAOYSA-N 1 0 393.211 2.502 20 0 GFADRO Cc1cc(S(=O)(=O)N(C)C[C@H]2CCC[N@@H+]2C)c(F)cc1Br ZINC000420739535 563281704 /nfs/dbraw/zinc/28/17/04/563281704.db2.gz PYFBEFXTYRMITP-LLVKDONJSA-N 1 0 379.295 2.611 20 0 GFADRO C[N@@H+]1CCC[C@@H](CCNS(=O)(=O)c2cc(Cl)ccc2OC(F)F)C1 ZINC000420757541 563284361 /nfs/dbraw/zinc/28/43/61/563284361.db2.gz UWDWEGHKCDYGPZ-NSHDSACASA-N 1 0 382.860 2.952 20 0 GFADRO CC1(C)[C@H]([NH2+]CCS(=O)(=O)c2cccc(Br)c2)[C@@H]2CCO[C@@H]21 ZINC000296489486 563289256 /nfs/dbraw/zinc/28/92/56/563289256.db2.gz YSWLGBSNOTZORK-ZNMIVQPWSA-N 1 0 388.327 2.626 20 0 GFADRO C[NH+](C)[C@]1(CNC(=O)NCc2ccc(OC(F)F)c(F)c2)CCSC1 ZINC000296477797 563289381 /nfs/dbraw/zinc/28/93/81/563289381.db2.gz OYEOXRIHAPSNLJ-INIZCTEOSA-N 1 0 377.432 2.664 20 0 GFADRO C[NH+](C)C1CCC(NC(=O)N[C@@H](CO)c2cccc(Br)c2)CC1 ZINC000420888410 563289643 /nfs/dbraw/zinc/28/96/43/563289643.db2.gz GRJRALNILCECSK-GPANFISMSA-N 1 0 384.318 2.655 20 0 GFADRO C[NH+](C)CCSCC(=O)N1c2ccccc2NC(=O)C[C@@H]1C(F)(F)F ZINC000371897771 563290237 /nfs/dbraw/zinc/29/02/37/563290237.db2.gz ULWVNTSIEVCXSX-CYBMUJFWSA-N 1 0 375.416 2.588 20 0 GFADRO C[NH+](C)C1CCC(NC(=O)NCC(=O)Nc2cccc(Br)c2)CC1 ZINC000420897546 563290527 /nfs/dbraw/zinc/29/05/27/563290527.db2.gz XULDLWAQZSKIPC-UHFFFAOYSA-N 1 0 397.317 2.560 20 0 GFADRO O=C(Nc1ccc(Br)cc1)[C@@H]1CCC[N@@H+]1CC[C@H]1CCOC1=O ZINC000371892057 563290624 /nfs/dbraw/zinc/29/06/24/563290624.db2.gz QQKVASCOQWKCTE-WFASDCNBSA-N 1 0 381.270 2.805 20 0 GFADRO CC[C@@H](CNS(C)(=O)=O)[NH2+][C@@H](C)c1ccc(SC(F)F)c(OC)c1 ZINC000296549530 563291965 /nfs/dbraw/zinc/29/19/65/563291965.db2.gz RKJMCFFXPXRORU-JQWIXIFHSA-N 1 0 382.498 2.988 20 0 GFADRO CCS(=O)(=O)NCCC[N@@H+]1CCC[C@@H]1Cc1ccccc1Br ZINC000420971786 563292257 /nfs/dbraw/zinc/29/22/57/563292257.db2.gz KVBHHZNBAMUIAH-OAHLLOKOSA-N 1 0 389.359 2.785 20 0 GFADRO CSc1nsc(NC(=O)N2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)n1 ZINC000371973125 563292698 /nfs/dbraw/zinc/29/26/98/563292698.db2.gz OCVJUDJOXFTBTN-RYUDHWBXSA-N 1 0 385.559 2.613 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000279332965 563293087 /nfs/dbraw/zinc/29/30/87/563293087.db2.gz CWHVBBWNISEHSH-KBPBESRZSA-N 1 0 396.329 2.933 20 0 GFADRO O[C@H](COc1ccc(Cl)cc1Br)C[N@@H+]1CC[C@@]12CCOC2 ZINC000421027089 563293517 /nfs/dbraw/zinc/29/35/17/563293517.db2.gz UJCRYTJQEGWUPQ-WFASDCNBSA-N 1 0 376.678 2.707 20 0 GFADRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+]C[C@@H](O)c2cc(F)cc(Cl)c2)cc1 ZINC000279494284 563298617 /nfs/dbraw/zinc/29/86/17/563298617.db2.gz MABSBIFAKSACPD-APPDUMDISA-N 1 0 386.876 2.771 20 0 GFADRO CC[C@@H](Cc1cccc(Br)c1)C(=O)NCC[NH+]1CCC(O)CC1 ZINC000296753391 563300460 /nfs/dbraw/zinc/30/04/60/563300460.db2.gz BHAGZRNZPZDXMX-HNNXBMFYSA-N 1 0 383.330 2.591 20 0 GFADRO CC[C@H](NC(=O)NC1CC[NH+](Cc2ccsc2)CC1)[C@@H](O)C(F)(F)F ZINC000372319647 563301873 /nfs/dbraw/zinc/30/18/73/563301873.db2.gz VYCKGQLXBVHFAU-UONOGXRCSA-N 1 0 379.448 2.714 20 0 GFADRO Cn1cc(Br)cc1C(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000372402821 563304556 /nfs/dbraw/zinc/30/45/56/563304556.db2.gz DFLZZOLDRIFEIY-BBRMVZONSA-N 1 0 377.286 2.605 20 0 GFADRO Brc1ccc(C[NH2+][C@@H]2C[C@H]3OCCC[C@@H]23)c(N2CCOCC2)c1 ZINC000372417625 563305707 /nfs/dbraw/zinc/30/57/07/563305707.db2.gz PNCPWUFZAIRWFI-LZLYRXPVSA-N 1 0 381.314 2.943 20 0 GFADRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)Nc1ccc(Cl)cc1Br ZINC000421299090 563305739 /nfs/dbraw/zinc/30/57/39/563305739.db2.gz NIMRJPVDEBTZKJ-LLVKDONJSA-N 1 0 388.693 2.594 20 0 GFADRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)Nc1cc(Cl)ccc1Br ZINC000421295064 563305889 /nfs/dbraw/zinc/30/58/89/563305889.db2.gz HMGOTHOQWCWEAS-LLVKDONJSA-N 1 0 388.693 2.594 20 0 GFADRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)Nc1ccc(Br)c(Cl)c1 ZINC000421292131 563305945 /nfs/dbraw/zinc/30/59/45/563305945.db2.gz AHNFFTXRKVEZHZ-LLVKDONJSA-N 1 0 388.693 2.594 20 0 GFADRO CON1CCC([NH2+]Cc2c(Br)cncc2Br)CC1 ZINC000421407564 563309686 /nfs/dbraw/zinc/30/96/86/563309686.db2.gz JFIOZWFRVVZGAT-UHFFFAOYSA-N 1 0 379.096 2.722 20 0 GFADRO CCN(CC)[C@@H](CNC(=O)c1ccc(S(C)(=O)=O)s1)c1ccccc1 ZINC000421415807 563310175 /nfs/dbraw/zinc/31/01/75/563310175.db2.gz CVRRBVZMQLUZPU-HNNXBMFYSA-N 1 0 380.535 2.965 20 0 GFADRO O=C(NCC[NH+]1CCC(O)CC1)c1cc(Br)cc(C(F)(F)F)c1 ZINC000296957067 563310260 /nfs/dbraw/zinc/31/02/60/563310260.db2.gz NUZDRTOQRNDVQC-UHFFFAOYSA-N 1 0 395.219 2.654 20 0 GFADRO C[C@H](Oc1ccccc1Br)C(=O)N1CCC[N@H+](CC(C)(C)O)CC1 ZINC000372544052 563310267 /nfs/dbraw/zinc/31/02/67/563310267.db2.gz FYVGHYFSEXPJIJ-AWEZNQCLSA-N 1 0 399.329 2.522 20 0 GFADRO CC(C)(O)C[N@@H+]1CCCN(C(=O)c2cc(Cl)ccc2OC(F)F)CC1 ZINC000372542384 563310308 /nfs/dbraw/zinc/31/03/08/563310308.db2.gz BJAOGOLDOWONQI-UHFFFAOYSA-N 1 0 376.831 2.860 20 0 GFADRO C[S@](=O)Cc1cc(NC(=O)[C@]2([NH3+])[C@@H]3CCCO[C@@H]3C2(C)C)ccc1Cl ZINC000372568806 563310937 /nfs/dbraw/zinc/31/09/37/563310937.db2.gz IIOCKQRSFDPQGP-IMMCUMRFSA-N 1 0 384.929 2.690 20 0 GFADRO CN(Cc1nc(C(F)(F)F)cs1)C(=O)[C@]1([NH3+])[C@H]2CCCO[C@@H]2C1(C)C ZINC000372576758 563311010 /nfs/dbraw/zinc/31/10/10/563311010.db2.gz MBDMLYRIWARLDH-ONENECBXSA-N 1 0 377.432 2.653 20 0 GFADRO C[S@](=O)Cc1cc(NC(=O)[C@]2([NH3+])[C@H]3CCCO[C@@H]3C2(C)C)ccc1Cl ZINC000372568820 563311340 /nfs/dbraw/zinc/31/13/40/563311340.db2.gz IIOCKQRSFDPQGP-YBZNTDEHSA-N 1 0 384.929 2.690 20 0 GFADRO CS(=O)(=O)c1ccc(C(=O)Nc2cccc(C[NH+]3CCSCC3)c2)s1 ZINC000421456641 563311896 /nfs/dbraw/zinc/31/18/96/563311896.db2.gz VRGFUBYHQZEJJD-UHFFFAOYSA-N 1 0 396.559 2.953 20 0 GFADRO C[C@H](O)C[N@H+](CC(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1)[C@@H](C)CO ZINC000372612897 563312606 /nfs/dbraw/zinc/31/26/06/563312606.db2.gz MLROOUBLPUJAPA-GDZNZVCISA-N 1 0 389.323 2.721 20 0 GFADRO CCS(=O)(=O)c1ccc(CNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)s1 ZINC000279848041 563312905 /nfs/dbraw/zinc/31/29/05/563312905.db2.gz FUMSLRXLLIPIQF-CQSZACIVSA-N 1 0 384.567 2.813 20 0 GFADRO CC[C@@H](Cc1ccccc1Br)NC(=O)C1(COC)CC[NH2+]CC1 ZINC000279874206 563313941 /nfs/dbraw/zinc/31/39/41/563313941.db2.gz DTYVAILPTNSCSI-HNNXBMFYSA-N 1 0 383.330 2.903 20 0 GFADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[N@H+](C)CCCCCO ZINC000297050221 563314315 /nfs/dbraw/zinc/31/43/15/563314315.db2.gz YJZBBSHXBGYHDQ-CYBMUJFWSA-N 1 0 387.318 2.557 20 0 GFADRO CN(Cc1cc(Br)cn1C)C(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000297203160 563319265 /nfs/dbraw/zinc/31/92/65/563319265.db2.gz XUEFXJISKNJEBK-UHFFFAOYSA-N 1 0 383.334 2.946 20 0 GFADRO C[C@@H]([NH2+]CCOCC(F)F)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000280032527 563319437 /nfs/dbraw/zinc/31/94/37/563319437.db2.gz IFBIQIDPHQGPTI-SSDOTTSWSA-N 1 0 377.240 2.573 20 0 GFADRO CC[C@H](COCC(F)(F)F)[NH2+][C@H]1CCCc2ccc(S(N)(=O)=O)cc21 ZINC000297232782 563320907 /nfs/dbraw/zinc/32/09/07/563320907.db2.gz IADUTJYEDNAVNR-DOMZBBRYSA-N 1 0 380.432 2.659 20 0 GFADRO CC1(C)[C@@H]2OCCC[C@H]2[C@]1([NH3+])C(=O)N1CCc2cccc(Br)c2C1 ZINC000372898269 563322044 /nfs/dbraw/zinc/32/20/44/563322044.db2.gz CLBXRVZMEFOLHC-OGWOLHLISA-N 1 0 393.325 2.866 20 0 GFADRO C[C@@H](Cc1ccc(F)cc1Cl)[NH2+]C[C@@H](O)CS(=O)(=O)c1cccs1 ZINC000421839877 563322355 /nfs/dbraw/zinc/32/23/55/563322355.db2.gz YTTRVDJSBVFBHH-SMDDNHRTSA-N 1 0 391.917 2.896 20 0 GFADRO C[N@@H+]1CC[C@H]2CCN(c3ncc(Cn4cc(Br)cn4)s3)C[C@@H]21 ZINC000373061044 563327757 /nfs/dbraw/zinc/32/77/57/563327757.db2.gz YMJWPMSIEIKYBA-FZMZJTMJSA-N 1 0 382.331 2.681 20 0 GFADRO NC(=O)C1(C[NH2+][C@@H](c2ccc(Br)cc2F)C2CC2)CCOCC1 ZINC000280243405 563328492 /nfs/dbraw/zinc/32/84/92/563328492.db2.gz WCKKBKUGKCLQGC-OAHLLOKOSA-N 1 0 385.277 2.911 20 0 GFADRO [NH3+]C[C@@H](NC(=O)[C@@H]1CCCN1c1ncc(C(F)(F)F)cc1Cl)C1CC1 ZINC000373089249 563328667 /nfs/dbraw/zinc/32/86/67/563328667.db2.gz VJEFIDPNMXSZFU-OLZOCXBDSA-N 1 0 376.810 2.576 20 0 GFADRO C[C@@H]1C[N@H+](C[C@H](O)COc2ccc(Cl)cc2Cl)C[C@@]2(CCOC2)O1 ZINC000280271471 563329490 /nfs/dbraw/zinc/32/94/90/563329490.db2.gz CTNHJFKVFZJPCG-HACGYAERSA-N 1 0 376.280 2.613 20 0 GFADRO CCOc1c(Br)cc(C[NH2+]C[C@@H](CO)[C@@H]2CCOC2)cc1OC ZINC000280266388 563329512 /nfs/dbraw/zinc/32/95/12/563329512.db2.gz KKTPQLQDBBYIBM-KGLIPLIRSA-N 1 0 388.302 2.591 20 0 GFADRO COc1ccc2c(c1)[C@H]([NH3+])CCN2S(=O)(=O)c1cnc2ccsc2c1 ZINC000373182318 563330953 /nfs/dbraw/zinc/33/09/53/563330953.db2.gz HTSLXYXYUSHXSS-CQSZACIVSA-N 1 0 375.475 2.904 20 0 GFADRO OC[C@@H](C[NH2+]Cc1nc(-c2cccc(Br)c2)c[nH]1)[C@H]1CCOC1 ZINC000280295030 563331385 /nfs/dbraw/zinc/33/13/85/563331385.db2.gz NBQIWSRCKZYDSM-UONOGXRCSA-N 1 0 380.286 2.574 20 0 GFADRO COC(=O)c1cc(Br)ccc1NC(=O)N1CC[C@H]2CC[N@H+](C)[C@H]2C1 ZINC000373181337 563331449 /nfs/dbraw/zinc/33/14/49/563331449.db2.gz ZVQDBKOTIQVXPM-ABAIWWIYSA-N 1 0 396.285 2.794 20 0 GFADRO CCCC[C@@H](COC)[NH2+][C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000280439543 563337285 /nfs/dbraw/zinc/33/72/85/563337285.db2.gz BYQMXUAQGGGJEZ-AAEUAGOBSA-N 1 0 393.347 2.952 20 0 GFADRO Cc1ccc(F)c(NC(=O)C(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c1Br ZINC000280437826 563337456 /nfs/dbraw/zinc/33/74/56/563337456.db2.gz UYRVXAHROWKIKW-GHMZBOCLSA-N 1 0 398.276 2.577 20 0 GFADRO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)NCCCC[N@H+](C)C1CC1 ZINC000422455405 563340342 /nfs/dbraw/zinc/34/03/42/563340342.db2.gz NZXDSPRULACZQH-UHFFFAOYSA-N 1 0 386.323 2.942 20 0 GFADRO CC(C)(C)[NH+]1CCC(NC(=O)C(=O)Nc2cc(Cl)c(N)c(Cl)c2)CC1 ZINC000298026672 563342271 /nfs/dbraw/zinc/34/22/71/563342271.db2.gz DVZPKVZRWGWANK-UHFFFAOYSA-N 1 0 387.311 2.893 20 0 GFADRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)Nc2cc(Cl)c(N)c(Cl)c2)C1 ZINC000298030176 563342365 /nfs/dbraw/zinc/34/23/65/563342365.db2.gz FJNCIJOOZOYOOR-LLVKDONJSA-N 1 0 387.311 2.751 20 0 GFADRO CCOC(=O)c1cc(Cl)cc(S(=O)(=O)N2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)c1 ZINC000422551378 563342845 /nfs/dbraw/zinc/34/28/45/563342845.db2.gz DPJPCDMBHYOOJE-SCRDCRAPSA-N 1 0 388.917 2.511 20 0 GFADRO COc1ccc(S(=O)(=O)N2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)c(Cl)c1Cl ZINC000422553547 563342884 /nfs/dbraw/zinc/34/28/84/563342884.db2.gz KCZYAVSDMXEJQU-MXWKQRLJSA-N 1 0 381.325 2.996 20 0 GFADRO O=C(Cc1ccc(F)cc1Br)NC[C@H]1CCC[C@@H]1[NH+]1CCOCC1 ZINC000373596209 563343163 /nfs/dbraw/zinc/34/31/63/563343163.db2.gz KRQPRCROSIOYIK-PBHICJAKSA-N 1 0 399.304 2.748 20 0 GFADRO C[C@@H]1C[C@@H](C)N(S(=O)(=O)c2ccc(OCC(F)(F)F)cc2)C[C@@H]1C[NH3+] ZINC000422558705 563343364 /nfs/dbraw/zinc/34/33/64/563343364.db2.gz ZLRAIJXRBITYHE-UPJWGTAASA-N 1 0 380.432 2.622 20 0 GFADRO CCS(=O)(=O)c1ccc(C[NH2+]Cc2cn(C)nc2-c2cccnc2)s1 ZINC000280608630 563345570 /nfs/dbraw/zinc/34/55/70/563345570.db2.gz ORPFMDFSMAFKFH-UHFFFAOYSA-N 1 0 376.507 2.627 20 0 GFADRO [NH3+]CCCn1cc(C(=O)Nc2ccc(Br)c(C(F)(F)F)c2)nn1 ZINC000422915304 563350931 /nfs/dbraw/zinc/35/09/31/563350931.db2.gz ASDQNCAHKGEDCR-UHFFFAOYSA-N 1 0 392.179 2.661 20 0 GFADRO Brc1ccc(N2CC[C@H](C[NH2+][C@@H](C3CC3)[C@H]3CNCCO3)C2)cc1 ZINC000422950717 563351619 /nfs/dbraw/zinc/35/16/19/563351619.db2.gz WONTVTWSVDUQHQ-ZMYBRWDISA-N 1 0 394.357 2.632 20 0 GFADRO C[C@@H]([NH2+]C[C@H]1CCO[C@H](C)C1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000280736838 563352145 /nfs/dbraw/zinc/35/21/45/563352145.db2.gz ORZUMINZGBQRCZ-UTUOFQBUSA-N 1 0 391.331 2.562 20 0 GFADRO O=C(NCc1cc(F)ccc1Br)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000422960086 563352272 /nfs/dbraw/zinc/35/22/72/563352272.db2.gz AROHZHMOVWVXPD-AWEZNQCLSA-N 1 0 381.249 2.639 20 0 GFADRO O=C(NCC[NH+]1CCCCC1)Nc1ccnn1-c1ccc(Br)cn1 ZINC000280754006 563352699 /nfs/dbraw/zinc/35/26/99/563352699.db2.gz XNNMDYWJWPRAJF-UHFFFAOYSA-N 1 0 393.289 2.637 20 0 GFADRO C[C@@H]([NH2+][C@@H](C)c1cccnc1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000280785572 563353798 /nfs/dbraw/zinc/35/37/98/563353798.db2.gz SOCBXKNFKGCJNA-MNOVXSKESA-N 1 0 384.299 2.903 20 0 GFADRO COC[C@@]1(C(=O)NCC2(c3cccc(Br)c3)CCC2)CC[NH2+]C1 ZINC000423054598 563353872 /nfs/dbraw/zinc/35/38/72/563353872.db2.gz BWZLQXOZNSABBC-GOSISDBHSA-N 1 0 381.314 2.613 20 0 GFADRO C[C@H]([NH2+]CC1CCSCC1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000280792395 563354488 /nfs/dbraw/zinc/35/44/88/563354488.db2.gz UAMYHLPIWUKELN-JTQLQIEISA-N 1 0 393.372 2.890 20 0 GFADRO C[C@H](C[C@@H]1COCCN1)[NH2+]Cc1ccc(I)cc1Cl ZINC000423093149 563354677 /nfs/dbraw/zinc/35/46/77/563354677.db2.gz GBRCAAQYMUMSAD-ZWNOBZJWSA-N 1 0 394.684 2.801 20 0 GFADRO C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000423085706 563354717 /nfs/dbraw/zinc/35/47/17/563354717.db2.gz KHZVLUUGPBWPBZ-SGTLLEGYSA-N 1 0 384.307 2.725 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)[C@@H]1C[C@H](C)CC[NH2+]1 ZINC000423122533 563356025 /nfs/dbraw/zinc/35/60/25/563356025.db2.gz JTFNZPSHLFGJIN-ABAIWWIYSA-N 1 0 382.302 2.590 20 0 GFADRO COCC[N@H+](C)CCCNC(=O)Cc1sc(SC(F)(F)F)nc1C ZINC000280843164 563356509 /nfs/dbraw/zinc/35/65/09/563356509.db2.gz VEHBZRLXMQFZDY-UHFFFAOYSA-N 1 0 385.477 2.690 20 0 GFADRO CC(C)(Cc1ccc(Br)cc1)NC(=O)c1cn(CCCC[NH3+])nn1 ZINC000423147895 563356934 /nfs/dbraw/zinc/35/69/34/563356934.db2.gz TVAAQLVJGUCUGU-UHFFFAOYSA-N 1 0 394.317 2.531 20 0 GFADRO C[C@@]1(C[NH3+])CCN(C(=O)C(=O)N(Cc2ccc(Cl)c(Cl)c2)C2CC2)C1 ZINC000423168114 563358075 /nfs/dbraw/zinc/35/80/75/563358075.db2.gz GSZIEEMMXDXQAN-SFHVURJKSA-N 1 0 384.307 2.682 20 0 GFADRO COC[C@@]1(C(=O)NC[C@@H](C)Sc2ccc(Br)cc2)CC[NH2+]C1 ZINC000423177422 563358557 /nfs/dbraw/zinc/35/85/57/563358557.db2.gz DWWPECVEGJDWCY-MLGOLLRUSA-N 1 0 387.343 2.672 20 0 GFADRO CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000423195664 563358566 /nfs/dbraw/zinc/35/85/66/563358566.db2.gz XZDDEDHNNSDGKO-BBRMVZONSA-N 1 0 384.307 2.552 20 0 GFADRO CC(C)CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000423180912 563358647 /nfs/dbraw/zinc/35/86/47/563358647.db2.gz KUTICNVZKXYONZ-CQSZACIVSA-N 1 0 386.323 2.928 20 0 GFADRO C[C@@H](NC[C@H]([NH3+])c1ccccc1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000423248371 563359280 /nfs/dbraw/zinc/35/92/80/563359280.db2.gz NEHDUJMJRHRLJJ-BMIGLBTASA-N 1 0 388.320 2.991 20 0 GFADRO O=C(CC[NH2+][C@H]1CCC(=O)NC12CCC2)Nc1ccc(Br)cc1 ZINC000298547904 563359919 /nfs/dbraw/zinc/35/99/19/563359919.db2.gz NVJNBGJVEJNYDH-AWEZNQCLSA-N 1 0 380.286 2.569 20 0 GFADRO O=C(NCCC[NH+]1CCCC1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000298574799 563360374 /nfs/dbraw/zinc/36/03/74/563360374.db2.gz OUTZNKIUASHAPW-UHFFFAOYSA-N 1 0 377.794 2.899 20 0 GFADRO CC[C@@H]([NH2+]CC[S@@](=O)C(C)(C)C)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000280915085 563360910 /nfs/dbraw/zinc/36/09/10/563360910.db2.gz QRXHJNDTXYEOBD-QKFKETGDSA-N 1 0 394.990 2.836 20 0 GFADRO CN1CCNC[C@H]1C[NH2+][C@@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC000423484751 563360963 /nfs/dbraw/zinc/36/09/63/563360963.db2.gz AJLOUZWRUYMXRU-SUMWQHHRSA-N 1 0 377.330 2.801 20 0 GFADRO C[C@@H](Oc1ccc(F)cc1Br)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000298595658 563361264 /nfs/dbraw/zinc/36/12/64/563361264.db2.gz ZHCGIUGSWKPKKB-NEPJUHHUSA-N 1 0 385.277 2.956 20 0 GFADRO CCCC[NH+]1CCC(NC(=O)NCc2ccc(S(=O)(=O)CC)s2)CC1 ZINC000280934716 563361682 /nfs/dbraw/zinc/36/16/82/563361682.db2.gz WELCGOYHTJZTNG-UHFFFAOYSA-N 1 0 387.571 2.605 20 0 GFADRO O=C(Nc1ccc(C(F)(F)F)cc1Cl)C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000423561481 563362208 /nfs/dbraw/zinc/36/22/08/563362208.db2.gz MJQWZGSZKXDHLK-UHFFFAOYSA-N 1 0 375.778 2.652 20 0 GFADRO C[C@@H]1c2c(Cl)cc(Cl)cc2CCN1C(=O)C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000423547196 563362218 /nfs/dbraw/zinc/36/22/18/563362218.db2.gz FWIIBVSPJQNIQD-ADLMAVQZSA-N 1 0 384.307 2.636 20 0 GFADRO Cc1ncncc1C(=O)Nc1cc(Br)ccc1N1CC[NH+](C)CC1 ZINC000298658788 563362370 /nfs/dbraw/zinc/36/23/70/563362370.db2.gz QJVYRMCKDYITGP-UHFFFAOYSA-N 1 0 390.285 2.552 20 0 GFADRO O=S(=O)(N1CCC([NH2+][C@H](c2cccnc2)C2CCC2)CC1)C(F)(F)F ZINC000280950774 563362471 /nfs/dbraw/zinc/36/24/71/563362471.db2.gz UARUVZDKJJCIFZ-HNNXBMFYSA-N 1 0 377.432 2.826 20 0 GFADRO C[NH+]1CCC2(CCCN(C(=O)c3cc(S(C)(=O)=O)ccc3Cl)C2)CC1 ZINC000374110569 563362517 /nfs/dbraw/zinc/36/25/17/563362517.db2.gz WWSQSABRRWHJBD-UHFFFAOYSA-N 1 0 384.929 2.692 20 0 GFADRO [NH3+]C1CCN(C(=O)C(=O)N2CCC(c3cccc(Cl)c3Cl)CC2)CC1 ZINC000423645200 563362803 /nfs/dbraw/zinc/36/28/03/563362803.db2.gz OAWFYTWLUMCMLX-UHFFFAOYSA-N 1 0 384.307 2.649 20 0 GFADRO [NH3+][C@@H]1CCCN(C(=O)C(=O)N2CCC(c3cccc(Cl)c3Cl)CC2)C1 ZINC000423652164 563362804 /nfs/dbraw/zinc/36/28/04/563362804.db2.gz WXMVJLAVEDFRJY-CYBMUJFWSA-N 1 0 384.307 2.649 20 0 GFADRO O=C([C@@H]1C[C@@]12CCc1cc(Br)ccc12)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000423721819 563363269 /nfs/dbraw/zinc/36/32/69/563363269.db2.gz FIJIFDHHHDQVEN-CKNFYHOISA-N 1 0 375.310 2.863 20 0 GFADRO CC[NH+](CC)[C@@H](CNC(=O)C(=O)Nc1sccc1C#N)c1ccsc1 ZINC000298664539 563363379 /nfs/dbraw/zinc/36/33/79/563363379.db2.gz CESVLHHWGQJEBM-AWEZNQCLSA-N 1 0 376.507 2.819 20 0 GFADRO O=C([C@@H]1C[C@]12CCc1cc(Br)ccc12)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000423721821 563363488 /nfs/dbraw/zinc/36/34/88/563363488.db2.gz FIJIFDHHHDQVEN-KUZCPNRJSA-N 1 0 375.310 2.863 20 0 GFADRO C[C@H](C[NH3+])N(C)C(=O)C(=O)N1CCC(=Cc2cc(Cl)ccc2Cl)CC1 ZINC000423694575 563363566 /nfs/dbraw/zinc/36/35/66/563363566.db2.gz FYBMMRLAKPLUOD-GFCCVEGCSA-N 1 0 384.307 2.805 20 0 GFADRO [NH3+]CCCn1cc(C(=O)NCC2(c3ccc(Cl)cc3Cl)CCC2)nn1 ZINC000423834863 563363568 /nfs/dbraw/zinc/36/35/68/563363568.db2.gz DBVVJBXKNQEQAS-UHFFFAOYSA-N 1 0 382.295 2.785 20 0 GFADRO CN(Cc1ccc(Cl)s1)C(=O)C(=O)N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1 ZINC000423728370 563363574 /nfs/dbraw/zinc/36/35/74/563363574.db2.gz LVHALTBIHRFROQ-HIFRSBDPSA-N 1 0 383.945 2.741 20 0 GFADRO [NH2+]=C(NO)[C@@H]1CCCCN1CC(=O)Nc1ccc(Br)cc1Cl ZINC000374172321 563363693 /nfs/dbraw/zinc/36/36/93/563363693.db2.gz HSLKHJPLGTUGEY-LBPRGKRZSA-N 1 0 389.681 2.852 20 0 GFADRO CC[C@@H]([NH2+]CCC(=O)N[C@@H](C)CC)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000281006699 563363779 /nfs/dbraw/zinc/36/37/79/563363779.db2.gz YFMFWVKDBONOSN-SWLSCSKDSA-N 1 0 389.949 2.594 20 0 GFADRO Cc1cccc(CNC(=O)c2cnn([C@H]3CCC[NH2+]C3)c2)c1Br ZINC000423845400 563364336 /nfs/dbraw/zinc/36/43/36/563364336.db2.gz MQLVGZWNPJATKE-HNNXBMFYSA-N 1 0 377.286 2.809 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)NC1CCN(c2nccs2)CC1)c1cccs1 ZINC000281055224 563364863 /nfs/dbraw/zinc/36/48/63/563364863.db2.gz RAUZGXPTABBZJZ-AWEZNQCLSA-N 1 0 379.555 2.776 20 0 GFADRO Cc1ccc(NC(=O)[C@H](C)[NH2+]C[C@H]2CN(C3CC3)CCO2)c(Br)c1 ZINC000374222124 563365256 /nfs/dbraw/zinc/36/52/56/563365256.db2.gz HTRHFPGUXLJPQT-ZFWWWQNUSA-N 1 0 396.329 2.537 20 0 GFADRO CCC[NH+]1CCC(N(C)C(=O)C(=O)Nc2cc(Cl)c(N)c(Cl)c2)CC1 ZINC000298755108 563365304 /nfs/dbraw/zinc/36/53/04/563365304.db2.gz WSRFGAHUKKVAJI-UHFFFAOYSA-N 1 0 387.311 2.847 20 0 GFADRO O=C(COc1ccc(Br)cc1F)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000423959883 563365775 /nfs/dbraw/zinc/36/57/75/563365775.db2.gz MZVUUJSQLKODEJ-IUODEOHRSA-N 1 0 385.277 2.958 20 0 GFADRO O=C(Cc1ccc(I)cc1)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000423983929 563366567 /nfs/dbraw/zinc/36/65/67/563366567.db2.gz VWJBNENYCOSHEI-GOEBONIOSA-N 1 0 398.288 2.824 20 0 GFADRO C[C@@H]1CN(C(=O)c2ccn(-c3cccc(Br)c3)n2)C[C@@]1(C)C[NH3+] ZINC000423982971 563366587 /nfs/dbraw/zinc/36/65/87/563366587.db2.gz KXSSVGCCGSUKBP-SJKOYZFVSA-N 1 0 377.286 2.692 20 0 GFADRO COc1cc(Br)c(C[NH2+][C@H]2CCO[C@]3(CCOC3)C2)cc1OC ZINC000374268247 563366613 /nfs/dbraw/zinc/36/66/13/563366613.db2.gz FMXBXFLTIKLDGP-SUMWQHHRSA-N 1 0 386.286 2.894 20 0 GFADRO CCN(CC)S(=O)(=O)c1ccc(CC[NH2+][C@H]2CCC23CCOCC3)s1 ZINC000374279293 563366679 /nfs/dbraw/zinc/36/66/79/563366679.db2.gz JVYBDOSHHAGTEU-INIZCTEOSA-N 1 0 386.583 2.870 20 0 GFADRO C[C@@H]1CCN(C(=O)c2cc(F)c(F)cc2I)C[C@H]1C[NH3+] ZINC000424004304 563367312 /nfs/dbraw/zinc/36/73/12/563367312.db2.gz FEFNOMDVXNWBHD-RKDXNWHRSA-N 1 0 394.203 2.626 20 0 GFADRO CC(C)(CC[NH3+])NC(=O)c1nn(-c2cccc(Br)c2)c2c1CCC2 ZINC000424044561 563367687 /nfs/dbraw/zinc/36/76/87/563367687.db2.gz FTUGDRMHWHNRJM-UHFFFAOYSA-N 1 0 391.313 2.981 20 0 GFADRO C[NH2+]CCCN(C)C(=O)c1nnn(-c2ccc(Br)cc2)c1C1CC1 ZINC000424035670 563368014 /nfs/dbraw/zinc/36/80/14/563368014.db2.gz SRLUWWMGNFGPOW-UHFFFAOYSA-N 1 0 392.301 2.589 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)Cc1cc(Br)ccc1F ZINC000374412043 563371291 /nfs/dbraw/zinc/37/12/91/563371291.db2.gz PKLADQHPWNNLGF-OIISXLGYSA-N 1 0 399.304 2.841 20 0 GFADRO O=C(c1cc(Br)c2c(c1)OCCO2)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000374404623 563371376 /nfs/dbraw/zinc/37/13/76/563371376.db2.gz XFDYXCXANRVKBV-HNNXBMFYSA-N 1 0 395.297 2.825 20 0 GFADRO CCOc1c(Br)cc(C[NH2+]C[C@H]2CCN(C)C(=O)C2)cc1OC ZINC000424192067 563372377 /nfs/dbraw/zinc/37/23/77/563372377.db2.gz RDLHXJCQXKRCDM-LBPRGKRZSA-N 1 0 385.302 2.814 20 0 GFADRO CN1C(=O)CC[C@H]([NH2+]Cc2cc(Br)cc(C(F)(F)F)c2)C1=O ZINC000424214253 563374109 /nfs/dbraw/zinc/37/41/09/563374109.db2.gz XDVHAPWVZSIOOU-NSHDSACASA-N 1 0 379.176 2.705 20 0 GFADRO C[C@@H]1CC2(CN1C(=O)c1ccccc1I)CC[NH2+]CC2 ZINC000424226764 563374646 /nfs/dbraw/zinc/37/46/46/563374646.db2.gz SJJMWWNOFRVNAA-GFCCVEGCSA-N 1 0 384.261 2.895 20 0 GFADRO C[C@@H]([NH2+]C[C@@H]1CCN(C)C(=O)C1)c1ccc(F)c(I)c1 ZINC000424315471 563375692 /nfs/dbraw/zinc/37/56/92/563375692.db2.gz CIQWXNRJYZPXQS-GHMZBOCLSA-N 1 0 390.240 2.949 20 0 GFADRO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]C[C@H]1CCN(C)C(=O)C1 ZINC000424329239 563375700 /nfs/dbraw/zinc/37/57/00/563375700.db2.gz QNBMXRQBFUPNAX-OLZOCXBDSA-N 1 0 382.302 2.624 20 0 GFADRO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CCCCS(C)(=O)=O ZINC000424307652 563376202 /nfs/dbraw/zinc/37/62/02/563376202.db2.gz MHIWUZOLZYXLFX-GFCCVEGCSA-N 1 0 391.331 2.581 20 0 GFADRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)c3cc(=O)[nH]c4ccc(Br)cc43)C[C@@H]21 ZINC000374632701 563377772 /nfs/dbraw/zinc/37/77/72/563377772.db2.gz SIIDLPQZWUZSKX-NZVBXONLSA-N 1 0 390.281 2.902 20 0 GFADRO Cc1cc(S(=O)(=O)N2CC3(C[C@@H]2C)CC[NH2+]CC3)sc1Br ZINC000424390299 563377912 /nfs/dbraw/zinc/37/79/12/563377912.db2.gz JYXBMYILCRMWOQ-NSHDSACASA-N 1 0 393.372 2.972 20 0 GFADRO C[C@H]1CC2(CN1S(=O)(=O)c1ccc(Br)c(F)c1)CC[NH2+]CC2 ZINC000424390362 563378164 /nfs/dbraw/zinc/37/81/64/563378164.db2.gz KHGULBULUMPLAB-NSHDSACASA-N 1 0 391.306 2.741 20 0 GFADRO COc1ccc(I)c(NC(=O)N[C@@H]2CCCC[C@H]2[NH3+])c1 ZINC000424422437 563378727 /nfs/dbraw/zinc/37/87/27/563378727.db2.gz SSZBESIPKLACJQ-VXGBXAGGSA-N 1 0 389.237 2.691 20 0 GFADRO COCC[NH+]1CCC(NC(=O)c2cc(Cl)ccc2Br)CC1 ZINC000299252875 563379261 /nfs/dbraw/zinc/37/92/61/563379261.db2.gz PXGGZRQGSDXHQF-UHFFFAOYSA-N 1 0 375.694 2.943 20 0 GFADRO C[NH+]1CCN(c2ncccc2CNC(=O)c2ccc(Br)cc2)CC1 ZINC000299286971 563380492 /nfs/dbraw/zinc/38/04/92/563380492.db2.gz YXXGSXJKMBDOIA-UHFFFAOYSA-N 1 0 389.297 2.526 20 0 GFADRO CC[C@@H](NC(=O)C(=O)N1CC2(C[C@@H]1C)CC[NH2+]CC2)c1ccc(Cl)s1 ZINC000424536334 563381036 /nfs/dbraw/zinc/38/10/36/563381036.db2.gz AYZNAXWQCRATDN-QWHCGFSZSA-N 1 0 383.945 2.959 20 0 GFADRO O=C(Cc1noc2ccc(Br)cc21)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000424599202 563382952 /nfs/dbraw/zinc/38/29/52/563382952.db2.gz WBOMAJGTIBTIET-DZGCQCFKSA-N 1 0 378.270 2.876 20 0 GFADRO CC[N@@H+]1CCC[C@H](CNC(=O)Cc2noc3ccc(Br)cc32)C1 ZINC000424628211 563384069 /nfs/dbraw/zinc/38/40/69/563384069.db2.gz PJCQFMXGEUGPBP-GFCCVEGCSA-N 1 0 380.286 2.981 20 0 GFADRO C[N@@H+]1CC[C@H]2CCN(C(=O)c3cnn(-c4cccc(Br)c4)c3)[C@H]2C1 ZINC000374921661 563385505 /nfs/dbraw/zinc/38/55/05/563385505.db2.gz YUZQHZYHJPBHTE-GUYCJALGSA-N 1 0 389.297 2.801 20 0 GFADRO COc1cc(Br)cc(NC(=O)NCCN2CC[N@H+](C)C(C)(C)C2)c1 ZINC000281765699 563386965 /nfs/dbraw/zinc/38/69/65/563386965.db2.gz JUQWGCFPDLOULA-UHFFFAOYSA-N 1 0 399.333 2.605 20 0 GFADRO C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N1CC[C@H]2CC[N@H+](C)[C@@H]2C1 ZINC000375038423 563388916 /nfs/dbraw/zinc/38/89/16/563388916.db2.gz KZPHCEKBXCLDDV-YWPYICTPSA-N 1 0 384.307 2.664 20 0 GFADRO C[C@@H]([NH2+][C@@H](c1cccc(Br)c1)C1CCOCC1)C(=O)NCCF ZINC000281912811 563389755 /nfs/dbraw/zinc/38/97/55/563389755.db2.gz AAWPCJMPNRNVDH-MLGOLLRUSA-N 1 0 387.293 2.981 20 0 GFADRO O=S(=O)(CCC(F)(F)F)N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000375106233 563390059 /nfs/dbraw/zinc/39/00/59/563390059.db2.gz QUPJKEFZHCIPHM-OWCLPIDISA-N 1 0 376.444 2.769 20 0 GFADRO Cc1nc(CN2CCC(CNS(=O)(=O)CCC(F)(F)F)CC2)cs1 ZINC000375099685 563390366 /nfs/dbraw/zinc/39/03/66/563390366.db2.gz IGYCNAGMFRHFII-UHFFFAOYSA-N 1 0 385.477 2.535 20 0 GFADRO C[C@@H](CNCc1c(F)ccc(Br)c1F)C[NH+]1CCN(C)CC1 ZINC000281938194 563391033 /nfs/dbraw/zinc/39/10/33/563391033.db2.gz HVLZPEOANZWZLC-LBPRGKRZSA-N 1 0 376.289 2.700 20 0 GFADRO O=S(=O)(NC[C@@H]1CC[N@@H+](C2CC2)C1)c1cc(Cl)ccc1Br ZINC000281965449 563392620 /nfs/dbraw/zinc/39/26/20/563392620.db2.gz LEABOHOFFDPFFA-JTQLQIEISA-N 1 0 393.734 2.865 20 0 GFADRO COC(=O)c1cn([C@H]2CCN(Cc3cnc(-c4cccs4)s3)C2)nn1 ZINC000375206745 563394783 /nfs/dbraw/zinc/39/47/83/563394783.db2.gz JGGXGXILEHTENO-NSHDSACASA-N 1 0 375.479 2.697 20 0 GFADRO C[C@H]1CCC[N@H+](Cc2ccc(CNc3ncc(S(N)(=O)=O)s3)cc2)C1 ZINC000301173777 563395190 /nfs/dbraw/zinc/39/51/90/563395190.db2.gz XZCDOTSUGJPNCV-ZDUSSCGKSA-N 1 0 380.539 2.635 20 0 GFADRO Clc1ccc(SCCN2CCN(CC[N@@H+]3CCCOCC3)CC2)cc1 ZINC000375334608 563400560 /nfs/dbraw/zinc/40/05/60/563400560.db2.gz IXKBEYUOPWHSND-UHFFFAOYSA-N 1 0 383.989 2.772 20 0 GFADRO COc1ccc(C[NH2+][C@@H]2CCC(=O)N[C@@H]2C2CC2)c(Br)c1OC ZINC000375374597 563401910 /nfs/dbraw/zinc/40/19/10/563401910.db2.gz YTRZHQQRYAMNET-MLGOLLRUSA-N 1 0 383.286 2.613 20 0 GFADRO Cc1nc(CO[C@@H]2CCN([C@@H](C)C(=O)NCCc3cccs3)C2)cs1 ZINC000375392595 563402345 /nfs/dbraw/zinc/40/23/45/563402345.db2.gz LPTACHMHOZQTRM-XJKSGUPXSA-N 1 0 379.551 2.851 20 0 GFADRO Cc1ccc(NC(=O)C(=O)NCc2cnc3n2CCCC3)c(Br)c1 ZINC000375389402 563402532 /nfs/dbraw/zinc/40/25/32/563402532.db2.gz HULBEYUYUYGWOE-UHFFFAOYSA-N 1 0 391.269 2.545 20 0 GFADRO Cc1c(I)cccc1C(=O)N1CCC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000425055323 563403090 /nfs/dbraw/zinc/40/30/90/563403090.db2.gz HOGYHSFMHHMYOL-SWLSCSKDSA-N 1 0 384.261 2.766 20 0 GFADRO Cn1nc(Br)cc1C(=O)NC1CC[NH+](Cc2cccs2)CC1 ZINC000375417209 563404109 /nfs/dbraw/zinc/40/41/09/563404109.db2.gz UIKSYLWALTWZLC-UHFFFAOYSA-N 1 0 383.315 2.639 20 0 GFADRO O=C1NC2(CCCCC2)C(=O)N1CCC[NH2+]Cc1ccc(Br)o1 ZINC000375451714 563405640 /nfs/dbraw/zinc/40/56/40/563405640.db2.gz YNMMBTXQUCDPHM-UHFFFAOYSA-N 1 0 384.274 2.777 20 0 GFADRO C[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1ccc2ccccc2c1Br ZINC000425157873 563406731 /nfs/dbraw/zinc/40/67/31/563406731.db2.gz PLITVMZOTBBXLT-CYBMUJFWSA-N 1 0 383.311 2.975 20 0 GFADRO COCCC[N@@H+]1CCCN(C(=O)c2cn3cc(Cl)cc(Cl)c3n2)CC1 ZINC000375583359 563411156 /nfs/dbraw/zinc/41/11/56/563411156.db2.gz JLYZZCCDMOZRSQ-UHFFFAOYSA-N 1 0 385.295 2.826 20 0 GFADRO CNC(=O)[C@@H]1CCCN(c2cc[nH+]c3cc(OC)c(Br)cc32)C1 ZINC000425225528 563412901 /nfs/dbraw/zinc/41/29/01/563412901.db2.gz LIBSFJDJYQIEIM-LLVKDONJSA-N 1 0 378.270 2.968 20 0 GFADRO Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)[NH2+][C@H]1CCO[C@]2(CCSC2)C1 ZINC000375655481 563413164 /nfs/dbraw/zinc/41/31/64/563413164.db2.gz COSKYRUDBVKXTJ-RLFYNMQTSA-N 1 0 384.567 2.656 20 0 GFADRO O=C(c1cn2ccc(Br)cc2n1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000375660557 563413286 /nfs/dbraw/zinc/41/32/86/563413286.db2.gz ORZRTGASDGAQHG-CQSZACIVSA-N 1 0 377.286 2.797 20 0 GFADRO COc1cc2[nH+]ccc(N[C@H]3CCc4nc(C)nn4C3)c2cc1Br ZINC000425233392 563413576 /nfs/dbraw/zinc/41/35/76/563413576.db2.gz XCVJLBSXQIYBLR-NSHDSACASA-N 1 0 388.269 2.755 20 0 GFADRO COC(=O)c1sc(N2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)nc1Cl ZINC000301932418 563415934 /nfs/dbraw/zinc/41/59/34/563415934.db2.gz PEBMYLYKRPIWOZ-STQMWFEESA-N 1 0 386.949 2.578 20 0 GFADRO Cc1ccc(NC(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)c(Br)c1 ZINC000282593718 563417276 /nfs/dbraw/zinc/41/72/76/563417276.db2.gz FNQIRPXVMWTZEC-UHFFFAOYSA-N 1 0 383.334 2.905 20 0 GFADRO CN1C(=O)NCC12CC[NH+](Cc1ccnc3c(Br)cccc13)CC2 ZINC000425368581 563420056 /nfs/dbraw/zinc/42/00/56/563420056.db2.gz FEPDAVBQNGIDRH-UHFFFAOYSA-N 1 0 389.297 2.987 20 0 GFADRO COc1cc(C[NH2+][C@@H](C)C(=O)NCCF)cc(Br)c1OC(F)F ZINC000282723166 563422375 /nfs/dbraw/zinc/42/23/75/563422375.db2.gz QLQLHCLDDTWJQQ-QMMMGPOBSA-N 1 0 399.207 2.623 20 0 GFADRO C[NH+](C)CCCCNC(=O)C1(c2ccc(I)cc2)CC1 ZINC000282739473 563423010 /nfs/dbraw/zinc/42/30/10/563423010.db2.gz NBXVUVRMNNNRRT-UHFFFAOYSA-N 1 0 386.277 2.781 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CCNc1cc[nH+]cc1C(N)=O ZINC000302221352 563423387 /nfs/dbraw/zinc/42/33/87/563423387.db2.gz MMBBJSFONOUESN-UHFFFAOYSA-N 1 0 377.242 2.692 20 0 GFADRO COc1cc(Br)ccc1CNc1cc(-n2cccn2)nc(N)[nH+]1 ZINC000302511398 563425999 /nfs/dbraw/zinc/42/59/99/563425999.db2.gz OCVVQUNTDMCAMT-UHFFFAOYSA-N 1 0 375.230 2.628 20 0 GFADRO CCc1nc(CN2C[C@H](C(=O)OC)[C@@H](c3ccc(Br)cc3)C2)no1 ZINC000425522797 563426262 /nfs/dbraw/zinc/42/62/62/563426262.db2.gz XHEGMSWCNGGLGY-KGLIPLIRSA-N 1 0 394.269 2.783 20 0 GFADRO COC(=O)[C@@H]1CN(Cc2nc(C)no2)C[C@H]1c1ccc(Br)cc1 ZINC000425522236 563426619 /nfs/dbraw/zinc/42/66/19/563426619.db2.gz VHJBVONXDLBZPV-UONOGXRCSA-N 1 0 380.242 2.529 20 0 GFADRO Cc1csc(N2CCCN(Cc3c(Br)c(C)nn3C)CC2)n1 ZINC000376092934 563429429 /nfs/dbraw/zinc/42/94/29/563429429.db2.gz GPOOJFMNESSLCS-UHFFFAOYSA-N 1 0 384.347 2.968 20 0 GFADRO Cc1nc(Cl)ccc1S(=O)(=O)N(C)C1CCN(c2cc[nH+]cc2)CC1 ZINC000376265878 563435277 /nfs/dbraw/zinc/43/52/77/563435277.db2.gz NSIQOWQQXYIIHT-UHFFFAOYSA-N 1 0 380.901 2.728 20 0 GFADRO O[C@H](C[N@@H+]1CCCC[C@@H]1Cn1ccnn1)c1ccc(F)c(Br)c1 ZINC000376332854 563437859 /nfs/dbraw/zinc/43/78/59/563437859.db2.gz CWWMTENOYYDRNR-CZUORRHYSA-N 1 0 383.265 2.768 20 0 GFADRO COc1c(Br)cccc1CN1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000376326293 563438226 /nfs/dbraw/zinc/43/82/26/563438226.db2.gz YKQNDOWIJMIMDK-YJBOKZPZSA-N 1 0 396.373 2.916 20 0 GFADRO Cn1ccnc1[C@@H]1CCN(S(=O)(=O)Cc2cccc(Br)c2)C1 ZINC000376345894 563438458 /nfs/dbraw/zinc/43/84/58/563438458.db2.gz DJWKDKVHVJESCQ-CYBMUJFWSA-N 1 0 384.299 2.502 20 0 GFADRO C[NH+](C)C[C@](C)(O)CNC(=O)N[C@@H]1c2cc(Br)ccc2CC1(C)C ZINC000426038465 563442774 /nfs/dbraw/zinc/44/27/74/563442774.db2.gz ZDGCOGDVNXEQBF-CRAIPNDOSA-N 1 0 398.345 2.684 20 0 GFADRO [NH3+]C[C@@H]1c2ccccc2CCN1S(=O)(=O)c1cccc(Br)c1 ZINC000317526219 563443129 /nfs/dbraw/zinc/44/31/29/563443129.db2.gz PPRBNBCARHYRKG-MRXNPFEDSA-N 1 0 381.295 2.696 20 0 GFADRO [NH3+]C[C@H]1c2ccccc2CCN1S(=O)(=O)c1cccc(Br)c1 ZINC000317526217 563443385 /nfs/dbraw/zinc/44/33/85/563443385.db2.gz PPRBNBCARHYRKG-INIZCTEOSA-N 1 0 381.295 2.696 20 0 GFADRO CCC[N@H+](CC)CCNC(=O)N(CCO)Cc1cc(Br)cs1 ZINC000426110305 563444388 /nfs/dbraw/zinc/44/43/88/563444388.db2.gz DXWKPQXAGQFJJY-UHFFFAOYSA-N 1 0 392.363 2.746 20 0 GFADRO CN(C)S(=O)(=O)c1cccc(C[NH2+]Cc2cccc(Br)c2)c1 ZINC000318866566 563444743 /nfs/dbraw/zinc/44/47/43/563444743.db2.gz JJYHMWZJFXPUNB-UHFFFAOYSA-N 1 0 383.311 2.989 20 0 GFADRO CCOc1ccc(Br)cc1S(=O)(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000319793520 563445674 /nfs/dbraw/zinc/44/56/74/563445674.db2.gz IHWWKSXKEPVEKV-CQSZACIVSA-N 1 0 399.310 2.826 20 0 GFADRO CC(=O)N1CCC([NH2+]Cc2cc(Br)c3c(c2)OCCCO3)CC1 ZINC000319801382 563445751 /nfs/dbraw/zinc/44/57/51/563445751.db2.gz OGZPOYRGUDOABQ-UHFFFAOYSA-N 1 0 383.286 2.711 20 0 GFADRO O[C@H](C[NH2+]Cc1cccc2c1OCO2)COc1cccc(Br)c1 ZINC000320359901 563446228 /nfs/dbraw/zinc/44/62/28/563446228.db2.gz MNWJPGYDPWITEO-CQSZACIVSA-N 1 0 380.238 2.707 20 0 GFADRO C[N@H+](CC(=O)Nc1c(F)cc(F)cc1Br)[C@@H]1CCCC[C@H]1O ZINC000426207710 563446315 /nfs/dbraw/zinc/44/63/15/563446315.db2.gz XLDGUELLKFAHSR-CHWSQXEVSA-N 1 0 377.229 2.901 20 0 GFADRO [NH3+]C[C@H]1CCCC[C@]12NC(=O)N(Cc1cc(F)ccc1Br)C2=O ZINC000321370045 563448159 /nfs/dbraw/zinc/44/81/59/563448159.db2.gz ZEJWUAHHGGXWLQ-BZNIZROVSA-N 1 0 384.249 2.528 20 0 GFADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)Nc1ncc(C(F)(F)F)s1 ZINC000283570752 563448235 /nfs/dbraw/zinc/44/82/35/563448235.db2.gz JQYAIWLWQQDHNM-SNVBAGLBSA-N 1 0 378.420 2.879 20 0 GFADRO O=C(NCC[NH2+]C1CC1)[C@@H]1CCCN1c1ncc(C(F)(F)F)cc1Cl ZINC000376693976 563450899 /nfs/dbraw/zinc/45/08/99/563450899.db2.gz JFVHEPFDYOZGQG-ZDUSSCGKSA-N 1 0 376.810 2.591 20 0 GFADRO CNC(=O)c1cccc(NC(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1Br ZINC000376715991 563452194 /nfs/dbraw/zinc/45/21/94/563452194.db2.gz DURVTFFGHMFPSP-NEPJUHHUSA-N 1 0 395.301 2.557 20 0 GFADRO COC(=O)C[C@@H]1CCCC[N@@H+]1CC(=O)N(C)Cc1ccccc1Br ZINC000324349505 563452393 /nfs/dbraw/zinc/45/23/93/563452393.db2.gz ORVOBNSFOIQUJK-HNNXBMFYSA-N 1 0 397.313 2.825 20 0 GFADRO COc1ccc(C[NH2+]C[C@H](O)COc2cccc(Br)c2)cc1OC ZINC000324210600 563452415 /nfs/dbraw/zinc/45/24/15/563452415.db2.gz PJDOLVLALWBIDQ-HNNXBMFYSA-N 1 0 396.281 2.996 20 0 GFADRO COC(=O)CN1CCC([NH2+][C@H]2CSc3ccc(Br)cc32)CC1 ZINC000426555961 563453057 /nfs/dbraw/zinc/45/30/57/563453057.db2.gz BFQJKMKLMICMBB-AWEZNQCLSA-N 1 0 385.327 2.823 20 0 GFADRO O=c1cc(CN2CC[NH2+]CC23CCCCC3)nc2ccc(Br)cn12 ZINC000325031744 563453142 /nfs/dbraw/zinc/45/31/42/563453142.db2.gz HKUQTPXQBYRBBF-UHFFFAOYSA-N 1 0 391.313 2.565 20 0 GFADRO C[C@H](CCSc1ccccc1)N1CCC([NH2+][C@@H]2CCS(=O)(=O)C2)CC1 ZINC000376798349 563454751 /nfs/dbraw/zinc/45/47/51/563454751.db2.gz GIRHPBYCVSLSFG-SJLPKXTDSA-N 1 0 382.595 2.798 20 0 GFADRO Cc1c2cc(Br)cc(C)c2oc1C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000427008337 563458503 /nfs/dbraw/zinc/45/85/03/563458503.db2.gz LQNRDAMDNBSOPF-AWEZNQCLSA-N 1 0 394.313 2.788 20 0 GFADRO O=C([C@H]1C[NH2+]Cc2ccccc21)N1CCN(Cc2ccc(Cl)s2)CC1 ZINC000327585496 563458588 /nfs/dbraw/zinc/45/85/88/563458588.db2.gz XNDRGWJDNDVGBH-KRWDZBQOSA-N 1 0 375.925 2.933 20 0 GFADRO [NH3+]C[C@@H]1Cc2ccccc2N(S(=O)(=O)c2cccc(Br)c2)C1 ZINC000328497688 563461039 /nfs/dbraw/zinc/46/10/39/563461039.db2.gz RIKJBWVRZVAXOV-LBPRGKRZSA-N 1 0 381.295 2.775 20 0 GFADRO COC[C@H](C)OC[C@H](O)C[N@@H+]1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000377080222 563462667 /nfs/dbraw/zinc/46/26/67/563462667.db2.gz FJJMDUXFXSRPIB-YNEHKIRRSA-N 1 0 382.448 2.754 20 0 GFADRO C[C@H](C(=O)Nc1ccc(Br)cc1)[N@@H+]1CCC[C@@H]1[C@H]1COCC[C@@H]1O ZINC000328696855 563462937 /nfs/dbraw/zinc/46/29/37/563462937.db2.gz DJPQGXIHTNSZNU-YYQUZTFQSA-N 1 0 397.313 2.638 20 0 GFADRO C[C@H](C(=O)Nc1ccc(Br)cc1)[N@@H+]1CCC[C@@H]1[C@H]1COCC[C@H]1O ZINC000328696853 563463231 /nfs/dbraw/zinc/46/32/31/563463231.db2.gz DJPQGXIHTNSZNU-BASLNEPJSA-N 1 0 397.313 2.638 20 0 GFADRO C[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CCCN(c3ccc(Br)cn3)C2)C1 ZINC000377126910 563464121 /nfs/dbraw/zinc/46/41/21/563464121.db2.gz KWJHCTVRHMFCRB-GJZGRUSLSA-N 1 0 395.345 2.519 20 0 GFADRO CN1CC[C@H](NS(=O)(=O)c2cncc(F)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000328825940 563466079 /nfs/dbraw/zinc/46/60/79/563466079.db2.gz JDEVRCLGWLREQQ-JKSUJKDBSA-N 1 0 387.839 2.737 20 0 GFADRO O=C(CCNC(=O)C[C@H]1CCC[NH2+]CC1)Nc1ccc(Br)cc1 ZINC000427344964 563466157 /nfs/dbraw/zinc/46/61/57/563466157.db2.gz CNEYTPKQTUQKLJ-ZDUSSCGKSA-N 1 0 382.302 2.674 20 0 GFADRO COC(=O)c1ccc(C[NH2+]C2CCN(C(=O)OC)CC2)c(Br)c1 ZINC000284201024 563467612 /nfs/dbraw/zinc/46/76/12/563467612.db2.gz BTENKTOIHJNCNH-UHFFFAOYSA-N 1 0 385.258 2.556 20 0 GFADRO CC[NH+](CC)CCN(C(=O)c1ccc(C)cc1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000427702581 563472470 /nfs/dbraw/zinc/47/24/70/563472470.db2.gz UQMICYJKICUZDF-HNNXBMFYSA-N 1 0 386.945 2.620 20 0 GFADRO O=C(N1CCCC1)N1CCC[C@H]([NH2+]Cc2cc(O)ccc2Br)C1 ZINC000329159753 563474117 /nfs/dbraw/zinc/47/41/17/563474117.db2.gz DXQXDVVTDRCPIJ-AWEZNQCLSA-N 1 0 382.302 2.925 20 0 GFADRO CC(=O)N1CCC([NH2+]Cc2nc(-c3cccc(Br)c3)c[nH]2)CC1 ZINC000329217192 563475638 /nfs/dbraw/zinc/47/56/38/563475638.db2.gz PSXNOFKPXKQJKI-UHFFFAOYSA-N 1 0 377.286 2.940 20 0 GFADRO COC(=O)c1ccc(C[NH2+]CCCNC(=O)C2CCC2)c(Br)c1 ZINC000284478752 563477297 /nfs/dbraw/zinc/47/72/97/563477297.db2.gz WIAMEUQOROGTMJ-UHFFFAOYSA-N 1 0 383.286 2.632 20 0 GFADRO Cc1ccc(I)c(C(=O)N2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000377558707 563479095 /nfs/dbraw/zinc/47/90/95/563479095.db2.gz AMXCTGZEWSZKQN-MRXNPFEDSA-N 1 0 384.261 2.815 20 0 GFADRO C[NH+]1CCC(Oc2ccc(CNS(=O)(=O)CCC(F)(F)F)cc2)CC1 ZINC000284594498 563481639 /nfs/dbraw/zinc/48/16/39/563481639.db2.gz ICWRITPXABIAHA-UHFFFAOYSA-N 1 0 380.432 2.531 20 0 GFADRO [NH3+]CC1CCN(C(=O)c2cc(I)ccc2Cl)CC1 ZINC000428132094 563483220 /nfs/dbraw/zinc/48/32/20/563483220.db2.gz SKWGHRZXHBLORQ-UHFFFAOYSA-N 1 0 378.641 2.756 20 0 GFADRO CCN(CC)c1ncc(C[NH+]2CCC(C(=O)Nc3nncs3)CC2)s1 ZINC000377697429 563483342 /nfs/dbraw/zinc/48/33/42/563483342.db2.gz LKDQZYRLRYUNBG-UHFFFAOYSA-N 1 0 380.543 2.692 20 0 GFADRO O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)C1(c2cccc(Br)c2)CC(=O)C1 ZINC000377730906 563484492 /nfs/dbraw/zinc/48/44/92/563484492.db2.gz AHRAZZKWRDLLQK-JKSUJKDBSA-N 1 0 391.309 2.793 20 0 GFADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@H](CCO)c1ccccc1 ZINC000428242300 563485881 /nfs/dbraw/zinc/48/58/81/563485881.db2.gz SGISUMRKBYUYFP-ZBFHGGJFSA-N 1 0 379.298 2.755 20 0 GFADRO NC(=O)c1ncc(Br)cc1N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000329895373 563490894 /nfs/dbraw/zinc/49/08/94/563490894.db2.gz BUEGSSWFVOTGEO-CQSZACIVSA-N 1 0 397.317 2.809 20 0 GFADRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NS(=O)(=O)c1ccc(Cl)c(Br)c1 ZINC000428414934 563491352 /nfs/dbraw/zinc/49/13/52/563491352.db2.gz SGCNJGWTHTXICZ-XPTSAGLGSA-N 1 0 393.734 2.864 20 0 GFADRO C[N@@H+]1CCC[C@H]2CN(S(=O)(=O)c3csc(-c4ccccc4)n3)CC[C@H]21 ZINC000330034914 563493626 /nfs/dbraw/zinc/49/36/26/563493626.db2.gz BJQQYCNMEOVCNC-JKSUJKDBSA-N 1 0 377.535 2.915 20 0 GFADRO COCc1cnc(C[NH2+]C[C@H](CO)Cc2cccc(Br)c2)s1 ZINC000428545625 563495771 /nfs/dbraw/zinc/49/57/71/563495771.db2.gz KULVZMNYACDWKQ-CYBMUJFWSA-N 1 0 385.327 2.993 20 0 GFADRO C[N@H+](CCCOc1cccc(I)c1)C1(CO)CCC1 ZINC000429263304 563512945 /nfs/dbraw/zinc/51/29/45/563512945.db2.gz LKEBVJRMXPQWJJ-UHFFFAOYSA-N 1 0 375.250 2.907 20 0 GFADRO CC(C)NC(=O)NC(=O)[C@H](C)[NH2+][C@@H](c1cncc(Br)c1)C1CC1 ZINC000284953896 563496724 /nfs/dbraw/zinc/49/67/24/563496724.db2.gz XCGPQLPCMSAXHN-IINYFYTJSA-N 1 0 383.290 2.508 20 0 GFADRO C[NH+]1CCN(c2cc(CNC(=O)c3cscc3Br)ccn2)CC1 ZINC000285052505 563500979 /nfs/dbraw/zinc/50/09/79/563500979.db2.gz IZRHOQOJHTWCJH-UHFFFAOYSA-N 1 0 395.326 2.587 20 0 GFADRO Cc1cccc(C(=O)N2CCC[C@@H](C[NH+]3CCN(C)CC3)C2)c1Br ZINC000378275412 563501220 /nfs/dbraw/zinc/50/12/20/563501220.db2.gz WSYGKMAMFQSHOE-INIZCTEOSA-N 1 0 394.357 2.857 20 0 GFADRO C[NH+](C)CC1CN(C(=O)c2ccc(I)c(Cl)c2)C1 ZINC000382196696 563516036 /nfs/dbraw/zinc/51/60/36/563516036.db2.gz PXPXDTHXKSLFCY-UHFFFAOYSA-N 1 0 378.641 2.578 20 0 GFADRO O=C(CSc1cccc(Br)c1)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000378329198 563503089 /nfs/dbraw/zinc/50/30/89/563503089.db2.gz DWQLOXLQEFSFLJ-KBPBESRZSA-N 1 0 385.327 2.521 20 0 GFADRO C[C@H](O)C[N@@H+]1CCN(Cc2nnc(-c3ccc(Cl)cc3Cl)o2)[C@H](C)C1 ZINC000330394317 563503389 /nfs/dbraw/zinc/50/33/89/563503389.db2.gz DBTHXKRIWJTSNA-NEPJUHHUSA-N 1 0 385.295 2.930 20 0 GFADRO C[C@@H](O)C[N@@H+]1CCN(Cc2nnc(-c3ccc(Cl)cc3Cl)o2)[C@H](C)C1 ZINC000330394329 563503421 /nfs/dbraw/zinc/50/34/21/563503421.db2.gz DBTHXKRIWJTSNA-VXGBXAGGSA-N 1 0 385.295 2.930 20 0 GFADRO Cc1cc(COc2ccc(C(=O)NCC[C@@H](C)[NH3+])cc2Br)no1 ZINC000429042380 563508746 /nfs/dbraw/zinc/50/87/46/563508746.db2.gz QTCFJWFBBOGVAJ-SNVBAGLBSA-N 1 0 382.258 2.792 20 0 GFADRO C[C@@H](C(=O)Nc1cccc(Br)c1)N1CCO[C@]2(CCCOC2)C1 ZINC000285284954 563512395 /nfs/dbraw/zinc/51/23/95/563512395.db2.gz JSHXAHRAXYDGHE-SUMWQHHRSA-N 1 0 383.286 2.658 20 0 GFADRO C[C@H](O)C[N@@H+]1CCN(Cc2nnc(-c3ccc(Cl)cc3Cl)o2)C[C@@H]1C ZINC000330647357 563515528 /nfs/dbraw/zinc/51/55/28/563515528.db2.gz HVKLZDCDCZGZQY-RYUDHWBXSA-N 1 0 385.295 2.930 20 0 GFADRO CC(C)c1n[nH]c(C(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)c1Br ZINC000330653349 563515992 /nfs/dbraw/zinc/51/59/92/563515992.db2.gz MGJAZUWHRCBICC-RYUDHWBXSA-N 1 0 387.322 2.525 20 0 GFADRO COC[C@@H]([NH2+]C[C@H](CO)Cc1cccc(Br)c1)C1CCOCC1 ZINC000429423181 563516411 /nfs/dbraw/zinc/51/64/11/563516411.db2.gz AYHSSICMVDPJOX-CRAIPNDOSA-N 1 0 386.330 2.631 20 0 GFADRO COC(=O)C1CCC([NH2+]C[C@H](CO)Cc2cccc(Br)c2)CC1 ZINC000429414398 563516503 /nfs/dbraw/zinc/51/65/03/563516503.db2.gz XVHJSOMILYJWSY-HPUBIQBYSA-N 1 0 384.314 2.922 20 0 GFADRO CC[C@@](C)([NH3+])c1cn(Cc2nc(-c3cccc(Br)c3)no2)nn1 ZINC000384238766 563516940 /nfs/dbraw/zinc/51/69/40/563516940.db2.gz ZZILBYNETOQHTR-OAHLLOKOSA-N 1 0 377.246 2.723 20 0 GFADRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)c1cccnc1C(F)(F)F ZINC000330672761 563517076 /nfs/dbraw/zinc/51/70/76/563517076.db2.gz OCWGOBGTPLJYTP-FRRDWIJNSA-N 1 0 379.448 2.745 20 0 GFADRO O=C1NC(=O)C2(CCC([NH2+]Cc3ccc(Cl)c(Br)c3)CC2)N1 ZINC000285422713 563520234 /nfs/dbraw/zinc/52/02/34/563520234.db2.gz GQYZQEPIYWGKNL-UHFFFAOYSA-N 1 0 386.677 2.713 20 0 GFADRO CCC[N@@H+]1CC[C@@H](NS(=O)(=O)c2c(Cl)cccc2Br)C1 ZINC000389969536 563522436 /nfs/dbraw/zinc/52/24/36/563522436.db2.gz HIOPQFGRALNVDF-SNVBAGLBSA-N 1 0 381.723 2.865 20 0 GFADRO CC(C)NC(=O)[C@@H]1CCC[C@H]([NH2+]Cc2c(Cl)cccc2S(C)(=O)=O)C1 ZINC000330824835 563522609 /nfs/dbraw/zinc/52/26/09/563522609.db2.gz FFGDFXMKTVVLGF-KGLIPLIRSA-N 1 0 386.945 2.917 20 0 GFADRO C[C@@H]1C[C@@H](NS(=O)(=O)c2cc(Cl)ccc2Br)CC[N@@H+]1C ZINC000429814027 563523494 /nfs/dbraw/zinc/52/34/94/563523494.db2.gz KUHPCGNVWBXCHQ-KOLCDFICSA-N 1 0 381.723 2.864 20 0 GFADRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cn3ccc(Br)cc3n2)C1 ZINC000285490810 563523566 /nfs/dbraw/zinc/52/35/66/563523566.db2.gz AIZVDWCWFQJKCO-IUODEOHRSA-N 1 0 377.286 2.653 20 0 GFADRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2cn3ccc(Br)cc3n2)C1 ZINC000285490820 563523657 /nfs/dbraw/zinc/52/36/57/563523657.db2.gz AIZVDWCWFQJKCO-WFASDCNBSA-N 1 0 377.286 2.653 20 0 GFADRO [NH3+]C[C@H]1CCCC[C@]12NC(=O)N(Cc1ccc(F)cc1Br)C2=O ZINC000390892410 563523819 /nfs/dbraw/zinc/52/38/19/563523819.db2.gz CPDOODGIQCTNKR-BZNIZROVSA-N 1 0 384.249 2.528 20 0 GFADRO O[C@@H](COc1ccc(Br)cc1)C[N@@H+]1CCC[C@](O)(C(F)(F)F)C1 ZINC000330861775 563524789 /nfs/dbraw/zinc/52/47/89/563524789.db2.gz LRFCFQFJZODVSU-TZMCWYRMSA-N 1 0 398.219 2.578 20 0 GFADRO O[C@@H](COCc1ccccc1Cl)C[N@@H+]1CCC[C@](O)(C(F)(F)F)CC1 ZINC000285551840 563526602 /nfs/dbraw/zinc/52/66/02/563526602.db2.gz MIMQKUBLXVKDKU-GDBMZVCRSA-N 1 0 381.822 2.997 20 0 GFADRO O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000393029226 563527879 /nfs/dbraw/zinc/52/78/79/563527879.db2.gz JCJJUCKWRPUJQD-LSDHHAIUSA-N 1 0 378.416 2.880 20 0 GFADRO C[C@H](CNC(=O)c1cc(F)c(Br)c(Cl)c1)N1CC[NH+](C)CC1 ZINC000285605668 563528945 /nfs/dbraw/zinc/52/89/45/563528945.db2.gz PVEKJXMYALSWAS-SNVBAGLBSA-N 1 0 392.700 2.607 20 0 GFADRO Cc1cc(Br)ccc1C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000395161361 563530838 /nfs/dbraw/zinc/53/08/38/563530838.db2.gz UGXXHCXKQISJBT-MAUKXSAKSA-N 1 0 394.357 2.838 20 0 GFADRO CCOC(=O)[C@H](Cc1cc(Cl)cc(Cl)c1)NC(=O)CC1CC[NH2+]CC1 ZINC000430077959 563532502 /nfs/dbraw/zinc/53/25/02/563532502.db2.gz NJZAUCIDCYLKSE-INIZCTEOSA-N 1 0 387.307 2.974 20 0 GFADRO O=C(CC[NH+]1CCC(O)(C(F)F)CC1)Nc1ccccc1Br ZINC000331179764 563538695 /nfs/dbraw/zinc/53/86/95/563538695.db2.gz YQPJQUCWQYDIKC-UHFFFAOYSA-N 1 0 377.229 2.870 20 0 GFADRO CC[NH+]1CCN(C[C@@H](C)CNS(=O)(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000331197979 563539950 /nfs/dbraw/zinc/53/99/50/563539950.db2.gz SYDULKLOAGPSDI-ZDUSSCGKSA-N 1 0 394.368 2.545 20 0 GFADRO CC1(C)CCC[NH2+][C@@H]1CNS(=O)(=O)Cc1ccc(Br)cc1 ZINC000430360256 563542269 /nfs/dbraw/zinc/54/22/69/563542269.db2.gz XOTFOBXPYAQTBC-CQSZACIVSA-N 1 0 375.332 2.647 20 0 GFADRO C[C@H]([NH2+]CCSCCOc1cccc(Br)c1)c1ccc(=O)[nH]n1 ZINC000285931068 563542372 /nfs/dbraw/zinc/54/23/72/563542372.db2.gz FFSUFGCULLDRJU-LBPRGKRZSA-N 1 0 398.326 2.995 20 0 GFADRO COc1ccc(Br)c(S(=O)(=O)NC[C@@H]2[NH2+]CCCC2(C)C)c1 ZINC000430350811 563542609 /nfs/dbraw/zinc/54/26/09/563542609.db2.gz DQIAHUZCCFOHPO-AWEZNQCLSA-N 1 0 391.331 2.514 20 0 GFADRO [NH3+]CC[C@@H]1CCCCN1C(=O)c1ccn(-c2cccc(Br)c2)n1 ZINC000285987541 563544670 /nfs/dbraw/zinc/54/46/70/563544670.db2.gz IAMHLGXZPJYRGA-AWEZNQCLSA-N 1 0 377.286 2.978 20 0 GFADRO C[N@@H+]1CCC[C@@H]1CNC(=O)c1cnc2c(Cl)cc(Br)cc2c1O ZINC000430667242 563547435 /nfs/dbraw/zinc/54/74/35/563547435.db2.gz MWGKINMVBUXSMQ-SNVBAGLBSA-N 1 0 398.688 2.768 20 0 GFADRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2nc3ccc(Br)cn3n2)C1 ZINC000331434384 563549173 /nfs/dbraw/zinc/54/91/73/563549173.db2.gz QULIUPBPUGCNTG-CHWSQXEVSA-N 1 0 394.317 2.590 20 0 GFADRO CCCN(Cc1csc(-c2ccc(S(C)(=O)=O)cc2)n1)[C@H]1CC[NH2+]C1 ZINC000430939390 563550206 /nfs/dbraw/zinc/55/02/06/563550206.db2.gz FXSVIEUOCUGUEG-INIZCTEOSA-N 1 0 379.551 2.788 20 0 GFADRO C[C@H]([NH3+])C1CCN(Cc2nc(Cc3cccc(Br)c3)no2)CC1 ZINC000430958303 563550807 /nfs/dbraw/zinc/55/08/07/563550807.db2.gz RZIGNGIMGBEBFG-LBPRGKRZSA-N 1 0 379.302 2.982 20 0 GFADRO COc1cc(C(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cc(Br)c1OC ZINC000331532554 563552462 /nfs/dbraw/zinc/55/24/62/563552462.db2.gz PMVHPPOJHQXFSD-ZYHUDNBSSA-N 1 0 383.286 2.821 20 0 GFADRO Cc1nc(NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)ccc1Br ZINC000286244562 563553503 /nfs/dbraw/zinc/55/35/03/563553503.db2.gz DOBDSHMAQCDWHT-AGUYFDCRSA-N 1 0 381.318 2.648 20 0 GFADRO Cc1ccc(Cl)c(OC[C@H](O)C[N@@H+]2CC[C@@H](C(F)(F)F)[C@H](CO)C2)c1 ZINC000286342116 563557289 /nfs/dbraw/zinc/55/72/89/563557289.db2.gz FCIAPLDFISKSIT-BFHYXJOUSA-N 1 0 381.822 2.881 20 0 GFADRO COCC[NH+](CCOC)C1CCN(C(=O)c2cc(Cl)c(Cl)[nH]2)CC1 ZINC000286606977 563567164 /nfs/dbraw/zinc/56/71/64/563567164.db2.gz ITAOCGLGWMJPDF-UHFFFAOYSA-N 1 0 378.300 2.521 20 0 GFADRO COc1nc(C)c(Br)cc1C(=O)N1CC[C@H]([NH+]2CCCC2)[C@@H]1C ZINC000286624752 563567965 /nfs/dbraw/zinc/56/79/65/563567965.db2.gz AMTUYBYUJARDHP-WFASDCNBSA-N 1 0 382.302 2.860 20 0 GFADRO CC1CC[NH+](C[C@@H](O)CNC(=O)CCc2ccccc2Br)CC1 ZINC000409714197 563569527 /nfs/dbraw/zinc/56/95/27/563569527.db2.gz UXCJRVNSSLXGNE-INIZCTEOSA-N 1 0 383.330 2.591 20 0 GFADRO COC(=O)c1cccc(NC(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)c1Br ZINC000332047357 563573050 /nfs/dbraw/zinc/57/30/50/563573050.db2.gz MBVNZYPPPMLGCO-GXTWGEPZSA-N 1 0 396.285 2.984 20 0 GFADRO C[C@H](CNC(=O)N[C@H]1COc2cc(F)c(Br)cc21)[N@H+](C)C1CC1 ZINC000410067314 563580422 /nfs/dbraw/zinc/58/04/22/563580422.db2.gz UUTXLMUKTBXKJX-OTYXRUKQSA-N 1 0 386.265 2.804 20 0 GFADRO C[C@H]([NH2+]C[C@@H]1CCCS(=O)(=O)C1)c1ccc(I)cc1 ZINC000286952749 563581536 /nfs/dbraw/zinc/58/15/36/563581536.db2.gz HMFYBIFBWGIESR-RYUDHWBXSA-N 1 0 393.290 2.767 20 0 GFADRO C[C@H]([NH2+]C[C@H]1CCCS(=O)(=O)C1)c1ccc(I)cc1 ZINC000286952745 563581831 /nfs/dbraw/zinc/58/18/31/563581831.db2.gz HMFYBIFBWGIESR-NWDGAFQWSA-N 1 0 393.290 2.767 20 0 GFADRO C[C@@H]1[C@H](C)N(C(=O)c2c(O)cnc3c(Br)cccc32)CC[N@H+]1C ZINC000332234308 563585750 /nfs/dbraw/zinc/58/57/50/563585750.db2.gz RQVFRKDYPYLPNA-MNOVXSKESA-N 1 0 378.270 2.868 20 0 GFADRO C[C@@H]([NH2+]C[C@H]1CCCSC1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000287096511 563587645 /nfs/dbraw/zinc/58/76/45/563587645.db2.gz PVIZPAJLCYSIJO-GHMZBOCLSA-N 1 0 393.372 2.890 20 0 GFADRO Cc1cc(NC(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc(C)c1Br ZINC000332302636 563591817 /nfs/dbraw/zinc/59/18/17/563591817.db2.gz GFYBTTFQGCLPJN-AEGPPILISA-N 1 0 394.313 2.590 20 0 GFADRO Cc1ccc(NC(=O)C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)cc1Br ZINC000332316335 563592372 /nfs/dbraw/zinc/59/23/72/563592372.db2.gz QLVQWWBIYKPLIX-OAHLLOKOSA-N 1 0 394.313 2.783 20 0 GFADRO C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@H]2COc3c2ccc(Cl)c3Cl)C[C@H]1C ZINC000332376326 563595405 /nfs/dbraw/zinc/59/54/05/563595405.db2.gz ZLTAPJWFKLUHAQ-SUNKGSAMSA-N 1 0 388.295 2.523 20 0 GFADRO Cc1nc(C(=O)N2CC[N@H+](C3CCOCC3)C[C@@H]2C)c(Br)s1 ZINC000410778168 563596895 /nfs/dbraw/zinc/59/68/95/563596895.db2.gz WLERRYZOXZZYQF-JTQLQIEISA-N 1 0 388.331 2.539 20 0 GFADRO CNC(=O)c1cccc(NC(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)c1Br ZINC000287369281 563598466 /nfs/dbraw/zinc/59/84/66/563598466.db2.gz KNCNUYXDNPTLAH-NEPJUHHUSA-N 1 0 397.317 2.755 20 0 GFADRO Cc1cnccc1OC1CCN(S(=O)(=O)c2ccc(Cl)nc2C)CC1 ZINC000287416109 563600598 /nfs/dbraw/zinc/60/05/98/563600598.db2.gz PGZNOLHOLSPXCV-UHFFFAOYSA-N 1 0 381.885 2.979 20 0 GFADRO CN(Cc1c(Cl)cccc1Cl)C(=O)C(=O)N1CC[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000410974086 563600675 /nfs/dbraw/zinc/60/06/75/563600675.db2.gz ISWFXBMJTLWMIA-LRDDRELGSA-N 1 0 384.307 2.504 20 0 GFADRO COC[C@H]([NH2+][C@@H](C)CC(=O)Nc1ccc(Br)cc1)[C@@H]1CCCO1 ZINC000433015283 563601064 /nfs/dbraw/zinc/60/10/64/563601064.db2.gz WBWPKGKGUUQSJB-RCBQFDQVSA-N 1 0 385.302 2.950 20 0 GFADRO CC[C@@H](C)[N@H+](C)CCNC(=O)Nc1cccc(C(=O)NC)c1Br ZINC000287470002 563603159 /nfs/dbraw/zinc/60/31/59/563603159.db2.gz RGDXRQIZXPQSTO-LLVKDONJSA-N 1 0 385.306 2.661 20 0 GFADRO O=C(Nc1cc(Cl)c(Cl)cc1Cl)C(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000332560606 563604025 /nfs/dbraw/zinc/60/40/25/563604025.db2.gz QFVBXOALYQWVCP-DTWKUNHWSA-N 1 0 376.671 2.653 20 0 GFADRO CC[NH+]1CCN(CC(C)(C)NC(=O)c2sc(C)cc2OC(F)F)CC1 ZINC000411074923 563604515 /nfs/dbraw/zinc/60/45/15/563604515.db2.gz NUYPAZUOMJYJKU-UHFFFAOYSA-N 1 0 375.485 2.804 20 0 GFADRO Cc1ccc(F)c(NC(=O)C(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)c1Br ZINC000332577191 563604694 /nfs/dbraw/zinc/60/46/94/563604694.db2.gz GLPBAXVZRWIMBM-NWDGAFQWSA-N 1 0 398.276 2.530 20 0 GFADRO COCC[N@H+](CC(=O)NCc1cc(Cl)ccc1OC)[C@@H]1CCCSC1 ZINC000433190022 563605578 /nfs/dbraw/zinc/60/55/78/563605578.db2.gz OOZMDHDQFNIFFT-MRXNPFEDSA-N 1 0 386.945 2.809 20 0 GFADRO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)Nc1c(F)cccc1Br ZINC000332585073 563606000 /nfs/dbraw/zinc/60/60/00/563606000.db2.gz JLRDFXRIETWYRT-RYUDHWBXSA-N 1 0 398.276 2.612 20 0 GFADRO COc1ccc(C[N@@H+]2CC[C@@H](C(=O)N3CCCC3)C2)c(Br)c1OC ZINC000287544007 563606570 /nfs/dbraw/zinc/60/65/70/563606570.db2.gz WCOKNPHVFAJCPS-CQSZACIVSA-N 1 0 397.313 2.911 20 0 GFADRO CC(C)[C@H]1CN([C@@H]2CCN(c3cccc(Br)c3)C2=O)CC[N@@H+]1C ZINC000433240316 563607515 /nfs/dbraw/zinc/60/75/15/563607515.db2.gz AQRMYCHZAQCSIB-IAGOWNOFSA-N 1 0 380.330 2.826 20 0 GFADRO O=C1[C@H]([N@@H+]2CC[C@@H]([C@@H]3CCOC3)C2)CCN1c1cccc(Br)c1 ZINC000433272712 563608525 /nfs/dbraw/zinc/60/85/25/563608525.db2.gz IKVVJUWFQJMMPX-CKEIUWERSA-N 1 0 379.298 2.913 20 0 GFADRO C[C@H](C(=O)NC(=O)NC1CC1)[N@@H+]1CC[C@@H](Cc2ccc(Br)cc2)C1 ZINC000433311175 563609121 /nfs/dbraw/zinc/60/91/21/563609121.db2.gz KYHFSURIXKLKMJ-OCCSQVGLSA-N 1 0 394.313 2.690 20 0 GFADRO CC(C)(C)NC(=O)NC(=O)C[N@@H+]1CC[C@H](Cc2ccc(Br)cc2)C1 ZINC000433301233 563609580 /nfs/dbraw/zinc/60/95/80/563609580.db2.gz GTBHDKIQSFSFDN-CQSZACIVSA-N 1 0 396.329 2.938 20 0 GFADRO C[C@@H]1CCN(C(=O)N[C@H]2CCN(c3ccccc3Br)C2)C[C@@H]1C[NH3+] ZINC000332666137 563610790 /nfs/dbraw/zinc/61/07/90/563610790.db2.gz LWVZUDGNNOIAOS-ILXRZTDVSA-N 1 0 395.345 2.654 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)N[C@H]2COc3cc(F)c(Br)cc32)C[N@@H+]1C1CC1 ZINC000332693125 563611667 /nfs/dbraw/zinc/61/16/67/563611667.db2.gz MJTGGBLQJPGRJY-FCHSOHFDSA-N 1 0 398.276 2.946 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)N[C@H]2CCN(c3cccc(Br)c3)C2)C1 ZINC000332690521 563611788 /nfs/dbraw/zinc/61/17/88/563611788.db2.gz QTHUCPLVIQPWOE-DZKIICNBSA-N 1 0 395.345 2.797 20 0 GFADRO OCCC[N@@H+](Cc1ccccn1)C[C@H](O)c1ccc(F)c(Br)c1 ZINC000287734760 563615790 /nfs/dbraw/zinc/61/57/90/563615790.db2.gz KTSUSEWYPYLWCQ-KRWDZBQOSA-N 1 0 383.261 2.901 20 0 GFADRO C[NH+](C)C1CCN(S(=O)(=O)c2cc(Br)sc2Cl)CC1 ZINC000433624366 563617063 /nfs/dbraw/zinc/61/70/63/563617063.db2.gz XZJYBQKTCAOLCY-UHFFFAOYSA-N 1 0 387.752 2.879 20 0 GFADRO CSc1ccc(OC[C@H](O)C[N@@H+]2CCCC[C@H]2[C@H](O)C(F)(F)F)cc1 ZINC000411412500 563618621 /nfs/dbraw/zinc/61/86/21/563618621.db2.gz FBXAZBSZYBDXAY-KCXAZCMYSA-N 1 0 379.444 2.926 20 0 GFADRO CS[C@@H]1C[N@H+](CCC(=O)Nc2cccc(Br)c2)C[C@@H]1N(C)C ZINC000411416338 563618929 /nfs/dbraw/zinc/61/89/29/563618929.db2.gz DNPWWZSJMWSBAD-LSDHHAIUSA-N 1 0 386.359 2.755 20 0 GFADRO C[C@H]1CN(C(=O)Nc2ccc3nccnc3c2Br)C[C@@H]1[NH+](C)C ZINC000287820774 563619466 /nfs/dbraw/zinc/61/94/66/563619466.db2.gz VKTMNFYCHVKNBY-GWCFXTLKSA-N 1 0 378.274 2.806 20 0 GFADRO CCN(CCC[NH+](C)C)C(=O)C(=O)Nc1cc(C)c(Br)c(F)c1 ZINC000411466498 563620314 /nfs/dbraw/zinc/62/03/14/563620314.db2.gz ZTNQVUKZKZGUAE-UHFFFAOYSA-N 1 0 388.281 2.635 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]1C1CCN(C(=O)Nc2ccc(F)c(Br)c2)CC1 ZINC000333112604 563620555 /nfs/dbraw/zinc/62/05/55/563620555.db2.gz GSYXTKQWCAIVNM-CABCVRRESA-N 1 0 386.265 2.948 20 0 GFADRO Cc1cccc(Cl)c1S(=O)(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000333145664 563621997 /nfs/dbraw/zinc/62/19/97/563621997.db2.gz KBPLXVHWFCHQKE-IAGOWNOFSA-N 1 0 386.945 2.695 20 0 GFADRO COc1cc(C)c(S(=O)(=O)NC[C@]2([NH+](C)C)CCSC2)cc1C(C)C ZINC000433884053 563622395 /nfs/dbraw/zinc/62/23/95/563622395.db2.gz SPPKCCFMGAKQPW-GOSISDBHSA-N 1 0 386.583 2.843 20 0 GFADRO C[NH+](C)Cc1ccc(S(=O)(=O)NCCOCc2ccc(Cl)cc2)cc1 ZINC000433883401 563622601 /nfs/dbraw/zinc/62/26/01/563622601.db2.gz PEZBHYDYQCTAGY-UHFFFAOYSA-N 1 0 382.913 2.897 20 0 GFADRO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(C(=O)Nc2cncc(Br)c2)CC1 ZINC000333173038 563623260 /nfs/dbraw/zinc/62/32/60/563623260.db2.gz QFBWSUWHSLEDPZ-HUUCEWRRSA-N 1 0 383.290 2.594 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]1C1CCN(C(=O)Nc2ccc(F)cc2Br)CC1 ZINC000333189430 563623434 /nfs/dbraw/zinc/62/34/34/563623434.db2.gz UNRWBGBZYSTLNU-HIFRSBDPSA-N 1 0 386.265 2.948 20 0 GFADRO [NH3+][C@H]1CCO[C@H](C2CCN(C(=O)Cc3ccccc3Br)CC2)C1 ZINC000333231600 563624961 /nfs/dbraw/zinc/62/49/61/563624961.db2.gz CECBLDKUPFALTM-RDJZCZTQSA-N 1 0 381.314 2.737 20 0 GFADRO CC1(C)C[NH2+]CC[C@@H]1NC(=O)Nc1ccc2nccnc2c1Br ZINC000333259735 563626213 /nfs/dbraw/zinc/62/62/13/563626213.db2.gz DSFHVTDPMINHLV-LBPRGKRZSA-N 1 0 378.274 2.902 20 0 GFADRO [NH3+][C@H]1CCO[C@H](C2CCN(C(=O)Cc3cccc(Br)c3)CC2)C1 ZINC000333287437 563627356 /nfs/dbraw/zinc/62/73/56/563627356.db2.gz NRRJOYKEPKQYIW-IRXDYDNUSA-N 1 0 381.314 2.737 20 0 GFADRO CN(C)c1cc(NC(=O)N2CCC3(CC[NH2+]CC3)CC2)ncc1Br ZINC000333378571 563630080 /nfs/dbraw/zinc/63/00/80/563630080.db2.gz VYQVBZUDZAUQSZ-UHFFFAOYSA-N 1 0 396.333 2.908 20 0 GFADRO O=C(Nc1nnc(-c2ccc(Cl)cc2F)s1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000333394966 563630971 /nfs/dbraw/zinc/63/09/71/563630971.db2.gz XZZPSYLYNOQALE-MNOVXSKESA-N 1 0 381.864 3.356 20 0 GFADRO CC(C)(C)c1ccc(S(=O)(=O)N2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)s1 ZINC000333476768 563634114 /nfs/dbraw/zinc/63/41/14/563634114.db2.gz BOEHRYPNLSMPGQ-WMLDXEAASA-N 1 0 386.583 2.953 20 0 GFADRO Cc1cc(S(=O)(=O)N2CCC(n3ncc4c3C[NH2+]C4)CC2)sc1Cl ZINC000333569678 563636056 /nfs/dbraw/zinc/63/60/56/563636056.db2.gz MGGUZAJSRRLNNL-UHFFFAOYSA-N 1 0 386.930 2.535 20 0 GFADRO O=S1(=O)CCCN1C1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000411833662 563637235 /nfs/dbraw/zinc/63/72/35/563637235.db2.gz JYKDSIJWDZCTOE-UHFFFAOYSA-N 1 0 378.416 2.585 20 0 GFADRO Cn1cc([C@@H]2CN(C(=O)N[C@H]3CCCc4sc(Cl)cc43)C[C@H]2[NH3+])cn1 ZINC000333625933 563637307 /nfs/dbraw/zinc/63/73/07/563637307.db2.gz UZNBRSYYYDGSBF-MJBXVCDLSA-N 1 0 379.917 2.649 20 0 GFADRO [NH3+][C@H]1CCCO[C@@H]1C1CCN(S(=O)(=O)Cc2ccc(F)c(Cl)c2)CC1 ZINC000333663662 563638518 /nfs/dbraw/zinc/63/85/18/563638518.db2.gz LYJAWRVBPYQALT-DLBZAZTESA-N 1 0 390.908 2.527 20 0 GFADRO [NH3+][C@H]1CCCO[C@H]1C1CCN(S(=O)(=O)Cc2ccc(Cl)c(F)c2)CC1 ZINC000333686961 563639273 /nfs/dbraw/zinc/63/92/73/563639273.db2.gz PIVXQXALRYQPPL-IRXDYDNUSA-N 1 0 390.908 2.527 20 0 GFADRO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(C(=O)c2cc(F)cc(Br)c2)CC1 ZINC000333766425 563641711 /nfs/dbraw/zinc/64/17/11/563641711.db2.gz BINJNPXBHVPGDU-HZPDHXFCSA-N 1 0 385.277 2.947 20 0 GFADRO [NH3+][C@H]1CCCO[C@@H]1C1CCN(C(=O)c2ccc(F)c(Br)c2)CC1 ZINC000333774952 563641946 /nfs/dbraw/zinc/64/19/46/563641946.db2.gz CQLFTMLLAHEQHT-JKSUJKDBSA-N 1 0 385.277 2.947 20 0 GFADRO C[C@H](NC(=O)[C@H](C)[N@@H+]1CC[C@@H](C(=O)N(C)C)C1)c1ccc(Cl)cc1Cl ZINC000411954362 563642641 /nfs/dbraw/zinc/64/26/41/563642641.db2.gz ZNAYOCXPNXUHQJ-RWMBFGLXSA-N 1 0 386.323 2.969 20 0 GFADRO Cc1cc([C@@H]2CCCN2C(=O)NC[C@@H]2C[NH2+]CCCO2)ccc1Br ZINC000333831799 563643223 /nfs/dbraw/zinc/64/32/23/563643223.db2.gz MRFQRDHYEJZJJA-RDJZCZTQSA-N 1 0 396.329 2.983 20 0 GFADRO OC[C@H]([NH2+]Cc1ncc(-c2ccc(Br)cc2)o1)[C@@H]1CCCOC1 ZINC000411999268 563644105 /nfs/dbraw/zinc/64/41/05/563644105.db2.gz XGJUQZVWHMRCQR-HIFRSBDPSA-N 1 0 381.270 2.981 20 0 GFADRO O=C(c1n[nH]c2ccc(Br)cc21)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000333875446 563644491 /nfs/dbraw/zinc/64/44/91/563644491.db2.gz VGLFKVVYZUDALV-XHDPSFHLSA-N 1 0 377.286 2.930 20 0 GFADRO COCC[C@H](Cc1cccc(Br)c1)C(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000435242831 563646792 /nfs/dbraw/zinc/64/67/92/563646792.db2.gz OKRCMJYFEZZACU-CRAIPNDOSA-N 1 0 395.341 2.997 20 0 GFADRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NCCSc1ccc(Cl)cc1 ZINC000435858429 563659617 /nfs/dbraw/zinc/65/96/17/563659617.db2.gz OZBXSARZFPZBNL-AWEZNQCLSA-N 1 0 385.961 2.919 20 0 GFADRO CN1C[C@H](C[NH2+][C@H](C(N)=O)c2ccc(Br)cc2)Cc2ccccc21 ZINC000435994667 563662372 /nfs/dbraw/zinc/66/23/72/563662372.db2.gz OYIMGZPLKRXZJV-UGSOOPFHSA-N 1 0 388.309 2.874 20 0 GFADRO C[N@H+](Cc1ccc(I)c(Cl)c1)[C@@]1(CO)CCOC1 ZINC000436115687 563664971 /nfs/dbraw/zinc/66/49/71/563664971.db2.gz QGBWIAWNCNWFLL-CYBMUJFWSA-N 1 0 381.641 2.528 20 0 GFADRO CO[C@H](C[NH3+])C(=O)N[C@H](C)c1nc(-c2ccc(Br)cc2)cs1 ZINC000289473809 563675071 /nfs/dbraw/zinc/67/50/71/563675071.db2.gz BBZNHXIPMLOTTC-NOZJJQNGSA-N 1 0 384.299 2.724 20 0 GFADRO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000289530754 563677319 /nfs/dbraw/zinc/67/73/19/563677319.db2.gz BECNHWUEGXDQOW-VXGBXAGGSA-N 1 0 391.265 2.545 20 0 GFADRO O=C(NCc1noc(C23CCC[NH+]2CCC3)n1)c1ccc(Br)cc1 ZINC000351248442 563683912 /nfs/dbraw/zinc/68/39/12/563683912.db2.gz VYVSEYZHXXGSHG-UHFFFAOYSA-N 1 0 391.269 2.847 20 0 GFADRO CC[C@H]1[NH2+]CC[C@H]1C(=O)N(C)CC(=O)Nc1ccc(Br)cc1C ZINC000289710149 563684430 /nfs/dbraw/zinc/68/44/30/563684430.db2.gz UHPSMNZPUZRFKQ-ZIAGYGMSSA-N 1 0 382.302 2.543 20 0 GFADRO C[C@H](Cc1ccc(F)cc1Br)[NH2+]CC1(CS(C)(=O)=O)CC1 ZINC000289738642 563685109 /nfs/dbraw/zinc/68/51/09/563685109.db2.gz NBNUNLAAQDSYSA-LLVKDONJSA-N 1 0 378.307 2.934 20 0 GFADRO COCCCN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc(F)cc1Cl ZINC000289763500 563685630 /nfs/dbraw/zinc/68/56/30/563685630.db2.gz ZJJRNWSAPXCAIB-UHFFFAOYSA-N 1 0 378.897 2.601 20 0 GFADRO CN(C)c1cc(Cl)cc(Cl)c1C[NH2+]C1CCC2(CC1)NC(=O)NC2=O ZINC000289780178 563686246 /nfs/dbraw/zinc/68/62/46/563686246.db2.gz JLYSZEJLHDGYMA-UHFFFAOYSA-N 1 0 385.295 2.670 20 0 GFADRO COc1cc([C@H](C)[NH2+]CCc2nnc(C)s2)ccc1S(=O)(=O)C(F)F ZINC000289771805 563686760 /nfs/dbraw/zinc/68/67/60/563686760.db2.gz MEKFVARMYYKSJT-VIFPVBQESA-N 1 0 391.465 2.745 20 0 GFADRO COc1ccc(Br)cc1CC(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000289841300 563688504 /nfs/dbraw/zinc/68/85/04/563688504.db2.gz BUCJFALBEVHBQI-CQSZACIVSA-N 1 0 381.314 2.848 20 0 GFADRO COc1cc(C[NH2+][C@H](C)[C@H](C)OC)cc(I)c1OC ZINC000289904985 563690817 /nfs/dbraw/zinc/69/08/17/563690817.db2.gz UKYWRJYXIFDRJT-ZJUUUORDSA-N 1 0 379.238 2.821 20 0 GFADRO CCNC(=O)NC(=O)[C@H](C)[NH2+][C@H](c1cc(Cl)ccc1Cl)[C@@H]1CCOC1 ZINC000360025156 563691207 /nfs/dbraw/zinc/69/12/07/563691207.db2.gz XKYYMXCPMDTEST-RWSFTLGLSA-N 1 0 388.295 2.895 20 0 GFADRO CCS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC3(CCC[N@@H+]3C)CC2)c1 ZINC000360340876 563692200 /nfs/dbraw/zinc/69/22/00/563692200.db2.gz BFIIYPGLUFFQEV-UHFFFAOYSA-N 1 0 384.929 2.834 20 0 GFADRO C[NH+](C)CCN(Cc1cccs1)S(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000437293378 563692297 /nfs/dbraw/zinc/69/22/97/563692297.db2.gz YWOJNTHLKRRUEF-UHFFFAOYSA-N 1 0 378.441 2.918 20 0 GFADRO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]C[C@@H]1CN2CCC[C@@H]2CO1 ZINC000360890180 563695223 /nfs/dbraw/zinc/69/52/23/563695223.db2.gz XTXNEHNNCQLOMZ-KBRIMQKVSA-N 1 0 396.329 2.619 20 0 GFADRO O=C1CCCN1C[C@H](O)C[NH2+][C@@H](c1cc(Cl)ccc1Cl)[C@H]1CCOC1 ZINC000360808735 563695496 /nfs/dbraw/zinc/69/54/96/563695496.db2.gz FVZMAMJPQQUWNT-WPKBUWHJSA-N 1 0 387.307 2.644 20 0 GFADRO Cn1ccc(N2CC[C@H]([NH2+][C@@H]3CCc4c3cc(Br)cc4F)C2=O)n1 ZINC000361145358 563696710 /nfs/dbraw/zinc/69/67/10/563696710.db2.gz WCWHXJLLDNHELB-CABCVRRESA-N 1 0 393.260 2.704 20 0 GFADRO Cc1ccc(CC(=O)N2CCN(CC[NH+]3CCCC3)CC2)cc1Br ZINC000437639659 563697660 /nfs/dbraw/zinc/69/76/60/563697660.db2.gz JQALYVBQJPDNHT-UHFFFAOYSA-N 1 0 394.357 2.540 20 0 GFADRO COc1ccsc1S(=O)(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000361308635 563698470 /nfs/dbraw/zinc/69/84/70/563698470.db2.gz DASVPEIUCRAVOV-MRXNPFEDSA-N 1 0 380.535 2.947 20 0 GFADRO O=C(c1cc(-c2ccc(Br)cc2)n[nH]1)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000290216266 563701376 /nfs/dbraw/zinc/70/13/76/563701376.db2.gz SPTUCZJANIMMNB-CHWSQXEVSA-N 1 0 375.270 2.521 20 0 GFADRO O=C(c1cc2c(c(Br)c1)OCO2)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000290231104 563701973 /nfs/dbraw/zinc/70/19/73/563701973.db2.gz UPOSXRRAANKZQV-LBPRGKRZSA-N 1 0 381.270 2.640 20 0 GFADRO C[C@@H](CCc1cccn1C)[NH2+]C1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000362235790 563704135 /nfs/dbraw/zinc/70/41/35/563704135.db2.gz BYHXAZMSELJSRO-HNNXBMFYSA-N 1 0 381.567 2.851 20 0 GFADRO C[C@@H]1CN(Cc2cc(Br)cc3c2OCC3)CC[N@@H+]1CC(C)(C)O ZINC000438344145 563704241 /nfs/dbraw/zinc/70/42/41/563704241.db2.gz WTNCWMLIPJGRFF-CYBMUJFWSA-N 1 0 383.330 2.661 20 0 GFADRO Cc1cc(C(C)(C)C(=O)N[C@H](C)CN2CC[NH+](C)CC2)ccc1Br ZINC000290311451 563704632 /nfs/dbraw/zinc/70/46/32/563704632.db2.gz UQFNYTDEHSTABM-OAHLLOKOSA-N 1 0 396.373 2.787 20 0 GFADRO C[N@H+](CCO)C1CCN(C(=O)N[C@@H]2C[C@H]2c2ccc(Cl)cc2Cl)CC1 ZINC000438369730 563705100 /nfs/dbraw/zinc/70/51/00/563705100.db2.gz HAFDRBASPDYKGG-DOTOQJQBSA-N 1 0 386.323 2.947 20 0 GFADRO CC[C@@H](C(=O)N(CCC(=O)OC)Cc1cccc(Br)c1)[NH+](C)C ZINC000413762728 563705135 /nfs/dbraw/zinc/70/51/35/563705135.db2.gz MBHYWKKBWMGZCG-HNNXBMFYSA-N 1 0 385.302 2.681 20 0 GFADRO Cc1ncc(CN2CC[C@H]([NH2+][C@@H]3CCCC[C@H]3S(C)(=O)=O)[C@H](C)C2)s1 ZINC000362475417 563707921 /nfs/dbraw/zinc/70/79/21/563707921.db2.gz YNPPMSJRRZCMIU-BVPBIZIASA-N 1 0 385.599 2.607 20 0 GFADRO COC(=O)[C@H]1CN(C(=O)[C@H]2C[C@H]2c2cc(Cl)cc(Cl)c2)CC[N@H+](C)C1 ZINC000413893397 563709904 /nfs/dbraw/zinc/70/99/04/563709904.db2.gz AVOYWIVAQSRBGZ-KCXAZCMYSA-N 1 0 385.291 2.660 20 0 GFADRO OCC[C@H]1CCCC[N@@H+]1C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000438846943 563712481 /nfs/dbraw/zinc/71/24/81/563712481.db2.gz BIELGBGZYPWYBM-CABCVRRESA-N 1 0 376.266 2.565 20 0 GFADRO C[N@H+](C[C@@H](O)CSc1n[nH]c(-c2ccccc2Br)n1)C1CC1 ZINC000290537707 563713564 /nfs/dbraw/zinc/71/35/64/563713564.db2.gz DWKAUPWBOVPYIX-LLVKDONJSA-N 1 0 383.315 2.781 20 0 GFADRO CN(C)c1cccc(C[NH2+]C2CCN(S(=O)(=O)c3cccs3)CC2)c1 ZINC000363161443 563715659 /nfs/dbraw/zinc/71/56/59/563715659.db2.gz WECMAHAEVYEEDR-UHFFFAOYSA-N 1 0 379.551 2.757 20 0 GFADRO Cc1cc(C(C)(C)C(=O)NCCCN2CC[NH+](C)CC2)ccc1Br ZINC000290622504 563716108 /nfs/dbraw/zinc/71/61/08/563716108.db2.gz DMKHCRHZAAYFHL-UHFFFAOYSA-N 1 0 396.373 2.789 20 0 GFADRO COc1ccc(Br)cc1NC(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000363221309 563717441 /nfs/dbraw/zinc/71/74/41/563717441.db2.gz PHTXTNOSNHEVCR-CABCVRRESA-N 1 0 398.301 2.521 20 0 GFADRO COc1ccc(C[C@@H](C)[NH2+]C[C@@H](O)COc2ccccc2Br)cn1 ZINC000414089873 563718803 /nfs/dbraw/zinc/71/88/03/563718803.db2.gz KGVDWRKOUQSHIQ-UKRRQHHQSA-N 1 0 395.297 2.813 20 0 GFADRO COc1ccc(Br)c(C(=O)NCCC[NH2+][C@@H](C)c2ccn(C)n2)c1 ZINC000414113477 563719336 /nfs/dbraw/zinc/71/93/36/563719336.db2.gz KQJHZJWLRWZJIV-LBPRGKRZSA-N 1 0 395.301 2.662 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N(C)CC[NH+]2CCCC2)c(Br)c1 ZINC000439211907 563719934 /nfs/dbraw/zinc/71/99/34/563719934.db2.gz DRQRCAYGLNYWIZ-UHFFFAOYSA-N 1 0 382.302 2.559 20 0 GFADRO COCCNc1ccc(C[NH2+][C@@H](C)Cn2cc(Br)ccc2=O)cc1 ZINC000414123022 563720407 /nfs/dbraw/zinc/72/04/07/563720407.db2.gz OEHLZNSVONTWCZ-AWEZNQCLSA-N 1 0 394.313 2.847 20 0 GFADRO Cc1ccc(C[C@@H](CO)[NH2+][C@H](C)Cn2cc(Br)ccc2=O)cc1C ZINC000414152018 563721178 /nfs/dbraw/zinc/72/11/78/563721178.db2.gz QHCQGPJVFRDKRY-QAPCUYQASA-N 1 0 393.325 2.809 20 0 GFADRO CSc1nc2ncnc(N3CCC(CC[NH+]4CCOCC4)CC3)c2s1 ZINC000363402636 563722031 /nfs/dbraw/zinc/72/20/31/563722031.db2.gz ODYMJHDFLHEIRH-UHFFFAOYSA-N 1 0 379.555 2.747 20 0 GFADRO COCC[N@@H+]1CCCN(C(=O)[C@H]2C[C@@H]2c2ccc(Br)cc2)CC1 ZINC000363440614 563722791 /nfs/dbraw/zinc/72/27/91/563722791.db2.gz BKPLDWPBORREOC-SJORKVTESA-N 1 0 381.314 2.733 20 0 GFADRO C[C@H]1C[N@@H+](C2CCN(C(=O)c3cc(F)ccc3Br)CC2)CCO1 ZINC000363432477 563722884 /nfs/dbraw/zinc/72/28/84/563722884.db2.gz KOOCUOHATNWEEI-LBPRGKRZSA-N 1 0 385.277 2.914 20 0 GFADRO C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]CCC(C)(C)S(C)(=O)=O ZINC000414244010 563723363 /nfs/dbraw/zinc/72/33/63/563723363.db2.gz AHDDNCXWLBBDEE-AWEZNQCLSA-N 1 0 388.961 2.880 20 0 GFADRO C[C@H](C[NH2+]Cc1ccc(S(N)(=O)=O)c(Cl)c1)N1CCc2ccccc21 ZINC000414257068 563724063 /nfs/dbraw/zinc/72/40/63/563724063.db2.gz FCHJKQIMSGVPGS-CYBMUJFWSA-N 1 0 379.913 2.528 20 0 GFADRO CS(=O)(=O)c1ccc(C[NH2+]CCc2nccn2Cc2ccccc2)s1 ZINC000414270831 563724408 /nfs/dbraw/zinc/72/44/08/563724408.db2.gz LXFXJAHKMMTONS-UHFFFAOYSA-N 1 0 375.519 2.729 20 0 GFADRO C[C@H](O)C[C@H]1CCC[N@@H+]1C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000439445176 563725860 /nfs/dbraw/zinc/72/58/60/563725860.db2.gz YFKAUJMGBYVNLT-GLQYFDAESA-N 1 0 376.266 2.563 20 0 GFADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)[C@H]1CCC[C@@H](O)C1 ZINC000439474026 563726588 /nfs/dbraw/zinc/72/65/88/563726588.db2.gz WQQFJICLXAKJBX-DOTOQJQBSA-N 1 0 383.330 2.890 20 0 GFADRO CN(C)S(=O)(=O)n1ccnc1C[NH2+]CC(C)(C)Cc1cccc(Cl)c1 ZINC000290967604 563727955 /nfs/dbraw/zinc/72/79/55/563727955.db2.gz WZDDRCKUOIYUNN-UHFFFAOYSA-N 1 0 384.933 2.550 20 0 GFADRO COc1ccc(C[C@H](CO)CNC(=[NH2+])N2CCC(C)CC2)cc1Br ZINC000414363729 563730176 /nfs/dbraw/zinc/73/01/76/563730176.db2.gz WRQIAHYTHVJVIW-HNNXBMFYSA-N 1 0 398.345 2.865 20 0 GFADRO Cc1cc(C[NH2+]C[C@H](O)CS(=O)(=O)c2cccs2)ccc1C(F)(F)F ZINC000414368409 563730196 /nfs/dbraw/zinc/73/01/96/563730196.db2.gz SHFGYUQGTMSWBH-ZDUSSCGKSA-N 1 0 393.452 3.000 20 0 GFADRO CS(=O)(=O)N1CCC[C@@H](C[NH2+]C2(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000439826905 563731930 /nfs/dbraw/zinc/73/19/30/563731930.db2.gz YVERBWNHHNHBPR-ZDUSSCGKSA-N 1 0 376.444 2.956 20 0 GFADRO CC[NH+](CC)C[C@@H](C)NS(=O)(=O)c1cc(F)c(Br)cc1OC ZINC000440070892 563735506 /nfs/dbraw/zinc/73/55/06/563735506.db2.gz ANVSVCAIURHBJM-SNVBAGLBSA-N 1 0 397.310 2.605 20 0 GFADRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NS(=O)(=O)c1cccc(Br)c1 ZINC000440092537 563736418 /nfs/dbraw/zinc/73/64/18/563736418.db2.gz PFXFMRREFNQNKP-OLZOCXBDSA-N 1 0 375.332 2.848 20 0 GFADRO Cc1c(I)cccc1C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000363941277 563737534 /nfs/dbraw/zinc/73/75/34/563737534.db2.gz RIYPUCYOPQPNML-STQMWFEESA-N 1 0 384.261 2.956 20 0 GFADRO [NH3+]C[C@H]1CCN(S(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 ZINC000440346601 563739366 /nfs/dbraw/zinc/73/93/66/563739366.db2.gz UHPJZWKSPAQKPB-MRVPVSSYSA-N 1 0 376.322 2.694 20 0 GFADRO C[C@@H]([NH3+])CCNS(=O)(=O)c1csc(-c2cccc(Br)c2)n1 ZINC000440345185 563739462 /nfs/dbraw/zinc/73/94/62/563739462.db2.gz YGFRSLQSMHEVEB-SECBINFHSA-N 1 0 390.328 2.588 20 0 GFADRO C[C@@H]1CCCN(S(=O)(=O)c2cc(Br)sc2Cl)[C@H]1C[NH3+] ZINC000440439725 563742234 /nfs/dbraw/zinc/74/22/34/563742234.db2.gz GQAPKURYZFJTQC-SFYZADRCSA-N 1 0 387.752 2.912 20 0 GFADRO O=C(NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1csc(Br)c1 ZINC000440503543 563743011 /nfs/dbraw/zinc/74/30/11/563743011.db2.gz JYZXZJCEGPNMEQ-KRWDZBQOSA-N 1 0 395.322 2.877 20 0 GFADRO Cc1c(Br)cc(C[NH2+]C[C@H]2CNC(=O)C2)cc1Br ZINC000414477412 563743552 /nfs/dbraw/zinc/74/35/52/563743552.db2.gz BQVACOYWYMQCIW-JTQLQIEISA-N 1 0 376.092 2.746 20 0 GFADRO CCOc1cc(CN2CC[NH+](C3CCOCC3)CC2)cc(Br)c1O ZINC000291446179 563743796 /nfs/dbraw/zinc/74/37/96/563743796.db2.gz LGQAVQNMCQJZAN-UHFFFAOYSA-N 1 0 399.329 2.850 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S(=O)(=O)CC[NH2+][C@H](C)[C@H](C)CC ZINC000440525984 563744161 /nfs/dbraw/zinc/74/41/61/563744161.db2.gz WGTAISAPJHKHFU-HUUCEWRRSA-N 1 0 375.556 2.668 20 0 GFADRO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+][C@H]2CCC[C@@H](S(C)(=O)=O)C2)c1 ZINC000414497616 563744431 /nfs/dbraw/zinc/74/44/31/563744431.db2.gz UHSYIQQZXBZSOP-LSDHHAIUSA-N 1 0 393.958 2.579 20 0 GFADRO O=C(NC1(c2ccc(Br)cc2)CCC1)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O ZINC000364157960 563744817 /nfs/dbraw/zinc/74/48/17/563744817.db2.gz GYRYLLNLZBLBNP-AGUYFDCRSA-N 1 0 391.309 2.759 20 0 GFADRO O=C(Nc1nccn1Cc1ccc(Br)cc1)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000364215343 563746016 /nfs/dbraw/zinc/74/60/16/563746016.db2.gz OZGZJCXPDZVFTB-RHSMWYFYSA-N 1 0 375.270 2.632 20 0 GFADRO C[N@H+](Cc1cnc2ccc(Br)cn12)C(C)(C)CN1CCOCC1 ZINC000414573465 563746717 /nfs/dbraw/zinc/74/67/17/563746717.db2.gz YTACSVPNKFECTF-UHFFFAOYSA-N 1 0 381.318 2.639 20 0 GFADRO Brc1ccc(-c2nnc(CN3CCOC4(CCOCC4)CC3)o2)o1 ZINC000364237612 563746997 /nfs/dbraw/zinc/74/69/97/563746997.db2.gz BRUHHRWROWWQCI-UHFFFAOYSA-N 1 0 398.257 2.864 20 0 GFADRO Cc1ccc(C(=O)N2CC[C@@]3(CCC[C@H]3[NH3+])C2)cc1I ZINC000364268322 563748391 /nfs/dbraw/zinc/74/83/91/563748391.db2.gz QCIVCKJYPGTOSR-ZBFHGGJFSA-N 1 0 384.261 2.943 20 0 GFADRO C[C@@H]1CN(S(=O)(=O)c2cnc(Cl)c(Cl)c2)CC[N@@H+](C2CCC2)C1 ZINC000291602595 563749604 /nfs/dbraw/zinc/74/96/04/563749604.db2.gz ACGBKIFHYVJGNT-NSHDSACASA-N 1 0 378.325 2.883 20 0 GFADRO O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)Nc1cc(Cl)cc(Cl)c1 ZINC000414681411 563749921 /nfs/dbraw/zinc/74/99/21/563749921.db2.gz OZZJEINCIYKBQK-LBPRGKRZSA-N 1 0 385.217 2.951 20 0 GFADRO C[N@H+](Cc1ccc(Br)o1)C1CCN(CC(=O)N2CCCC2)CC1 ZINC000364332449 563749943 /nfs/dbraw/zinc/74/99/43/563749943.db2.gz PJCPUNQAZOVZFK-UHFFFAOYSA-N 1 0 384.318 2.561 20 0 GFADRO Cc1nc(-c2ccc(S(=O)(=O)N3CC[C@]4(CC[N@@H+](C)C4)C3)s2)cs1 ZINC000291615517 563750095 /nfs/dbraw/zinc/75/00/95/563750095.db2.gz BRAOROAULOAELO-INIZCTEOSA-N 1 0 383.564 2.896 20 0 GFADRO [NH3+]CC[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)c(Cl)c2)C1 ZINC000440802828 563750239 /nfs/dbraw/zinc/75/02/39/563750239.db2.gz SEUGGPVXEBXTFT-JTQLQIEISA-N 1 0 381.723 2.852 20 0 GFADRO Cc1cc(Br)c(S(=O)(=O)NCc2ccc3c(c2)C[NH2+]C3)s1 ZINC000440802197 563750298 /nfs/dbraw/zinc/75/02/98/563750298.db2.gz TVYTXKYACVITTA-UHFFFAOYSA-N 1 0 387.324 2.901 20 0 GFADRO O=C(CN1CCC[C@H]1C[N@H+]1CCC[C@@H]1CO)Nc1cc(Cl)ccc1Cl ZINC000364354636 563750492 /nfs/dbraw/zinc/75/04/92/563750492.db2.gz AQRXUIHOZIZQGU-LSDHHAIUSA-N 1 0 386.323 2.853 20 0 GFADRO Cc1cc(NC(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])ccc1Br ZINC000414717896 563750944 /nfs/dbraw/zinc/75/09/44/563750944.db2.gz ZTPIICPGBDUQKN-CQSZACIVSA-N 1 0 397.317 2.609 20 0 GFADRO [NH3+]CC[C@@H]1CCCN(S(=O)(=O)c2cc(Br)ccc2Cl)C1 ZINC000440810577 563751067 /nfs/dbraw/zinc/75/10/67/563751067.db2.gz WDYNZDOSBGEOMS-JTQLQIEISA-N 1 0 381.723 2.852 20 0 GFADRO O=C(Nc1ncc(Cc2ccc(Br)cc2)s1)N[C@H]1CC[NH2+]C1 ZINC000414743915 563751692 /nfs/dbraw/zinc/75/16/92/563751692.db2.gz VQMWHZOHWJYLAJ-LBPRGKRZSA-N 1 0 381.299 2.980 20 0 GFADRO O=S(=O)(CCc1ccccc1Br)NC1CC[NH+](C2CC2)CC1 ZINC000291657180 563752455 /nfs/dbraw/zinc/75/24/55/563752455.db2.gz IUTJUPYNMBEXNJ-UHFFFAOYSA-N 1 0 387.343 2.538 20 0 GFADRO C[C@@H]1CN(C(=O)Nc2ccc(I)cc2Cl)CC[NH2+]1 ZINC000414791192 563752808 /nfs/dbraw/zinc/75/28/08/563752808.db2.gz HHYYNZOTIYWWNM-MRVPVSSYSA-N 1 0 379.629 2.770 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000414877489 563753613 /nfs/dbraw/zinc/75/36/13/563753613.db2.gz FZGFHIGZJQEMBC-OAHLLOKOSA-N 1 0 381.318 2.577 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)c(Br)c1 ZINC000440943009 563754152 /nfs/dbraw/zinc/75/41/52/563754152.db2.gz HEAVCSSTZFJWGZ-KGLIPLIRSA-N 1 0 396.329 2.946 20 0 GFADRO Cc1ncc(CN2CC[C@H]([NH2+][C@@H](C)C(=O)Nc3nccs3)[C@@H](C)C2)s1 ZINC000364468891 563754232 /nfs/dbraw/zinc/75/42/32/563754232.db2.gz UOUGWIAOFIYCDS-HUBLWGQQSA-N 1 0 379.555 2.735 20 0 GFADRO Cc1cc(Br)ccc1C(=O)N1CCC([NH2+][C@@H]2CNCC[C@@H]2C)CC1 ZINC000414928634 563754340 /nfs/dbraw/zinc/75/43/40/563754340.db2.gz NALRRBWBVTZVTL-SCLBCKFNSA-N 1 0 394.357 2.950 20 0 GFADRO C[C@](C[NH3+])(NC(=O)Nc1cc(Br)ccc1N1CCOCC1)C1CC1 ZINC000414926768 563754359 /nfs/dbraw/zinc/75/43/59/563754359.db2.gz KTVLVUKIWGPUGA-QGZVFWFLSA-N 1 0 397.317 2.535 20 0 GFADRO Cc1ncc(CN2CC[C@H]([NH2+][C@@H](C)C(=O)Nc3nccs3)[C@H](C)C2)s1 ZINC000364468893 563754367 /nfs/dbraw/zinc/75/43/67/563754367.db2.gz UOUGWIAOFIYCDS-XUJVJEKNSA-N 1 0 379.555 2.735 20 0 GFADRO O=C(C[C@H]1CCC[NH2+]CC1)NC[C@@H](O)COc1cccc(Cl)c1Cl ZINC000364488635 563754623 /nfs/dbraw/zinc/75/46/23/563754623.db2.gz ONHKNFGUKWOXAI-QWHCGFSZSA-N 1 0 375.296 2.629 20 0 GFADRO CCOC(=O)COc1c(Br)cc(C)cc1CN[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414962558 563755059 /nfs/dbraw/zinc/75/50/59/563755059.db2.gz ZTTLZAPLMGQUCO-DZGCQCFKSA-N 1 0 399.329 2.930 20 0 GFADRO COCC[NH2+]CCNC(=O)Nc1ccc(Br)cc1C(F)(F)F ZINC000414977125 563756242 /nfs/dbraw/zinc/75/62/42/563756242.db2.gz QORFMEBYGTURAN-UHFFFAOYSA-N 1 0 384.196 2.825 20 0 GFADRO CO[C@H]1CCCC[C@@H]1[NH2+]CC(=O)N(C)CCOc1ccc(Br)cc1 ZINC000441265807 563757103 /nfs/dbraw/zinc/75/71/03/563757103.db2.gz MRXXEYTXLZROIV-IRXDYDNUSA-N 1 0 399.329 2.834 20 0 GFADRO COc1c(Br)cc(Br)cc1CN[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415041523 563757291 /nfs/dbraw/zinc/75/72/91/563757291.db2.gz RJKKDIXCXJWMSP-IAZYJMLFSA-N 1 0 376.092 2.528 20 0 GFADRO COc1ccc(I)c(NC(=O)NC2(C[NH3+])CCCC2)c1 ZINC000415069111 563757706 /nfs/dbraw/zinc/75/77/06/563757706.db2.gz FZUFLQLYMTZEEY-UHFFFAOYSA-N 1 0 389.237 2.693 20 0 GFADRO CO[C@@H]1CC[N@H+](C[C@@H](O)COc2cc(F)cc(Br)c2)[C@H](C)C1 ZINC000441344656 563758347 /nfs/dbraw/zinc/75/83/47/563758347.db2.gz DMHLCXNNRYZCHP-KCPJHIHWSA-N 1 0 376.266 2.827 20 0 GFADRO [NH3+][C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(=O)[nH]c2ccc(Br)cc21 ZINC000364581722 563758503 /nfs/dbraw/zinc/75/85/03/563758503.db2.gz QZDUZQIQJBCELG-ZSBIGDGJSA-N 1 0 376.254 2.797 20 0 GFADRO COc1ccc(I)c(NC(=O)N2CC[C@@](C)(C[NH3+])C2)c1 ZINC000415076609 563758950 /nfs/dbraw/zinc/75/89/50/563758950.db2.gz RYNLBAJOZBTDIN-AWEZNQCLSA-N 1 0 389.237 2.502 20 0 GFADRO CN1CCC[C@@]2(CC[N@H+](CCC(=O)Nc3ccccc3Br)C2)C1=O ZINC000364610873 563759154 /nfs/dbraw/zinc/75/91/54/563759154.db2.gz KIIPCRYLAQFBBO-SFHVURJKSA-N 1 0 394.313 2.722 20 0 GFADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)Nc1c(F)cc(F)cc1Br ZINC000364609172 563759592 /nfs/dbraw/zinc/75/95/92/563759592.db2.gz PYLKQSYRYISKCZ-WDEREUQCSA-N 1 0 390.228 2.712 20 0 GFADRO COc1ccc(NC(=O)N2CCC(OCCC[NH3+])CC2)c(Br)c1 ZINC000415103468 563759650 /nfs/dbraw/zinc/75/96/50/563759650.db2.gz FQQKAGQTRMWIAU-UHFFFAOYSA-N 1 0 386.290 2.819 20 0 GFADRO COc1cc(CN2CCCO[C@H](C[NH3+])C2)cc(Br)c1OC(F)F ZINC000415103131 563759663 /nfs/dbraw/zinc/75/96/63/563759663.db2.gz CHVXXXMJXXBJDB-LLVKDONJSA-N 1 0 395.244 2.609 20 0 GFADRO C[C@H]1CCN(Cc2ccc(Br)cc2N2CCOCC2)C[C@@H]1C[NH3+] ZINC000415118791 563759709 /nfs/dbraw/zinc/75/97/09/563759709.db2.gz DZRXDXOTXVWFKE-HOCLYGCPSA-N 1 0 382.346 2.702 20 0 GFADRO O=C1N[C@@H]2CN(Cc3cc(Cl)cc(Cl)c3)CC[C@@H]2N1C1CC[NH2+]CC1 ZINC000415137347 563760453 /nfs/dbraw/zinc/76/04/53/563760453.db2.gz IUWNCXOJNZCRGX-SJORKVTESA-N 1 0 383.323 2.714 20 0 GFADRO [NH3+]C[C@H](NC(=O)Nc1cc(Br)cnc1OCC(F)(F)F)C1CC1 ZINC000415170627 563761975 /nfs/dbraw/zinc/76/19/75/563761975.db2.gz LMMHYSJAYSEHSO-JTQLQIEISA-N 1 0 397.195 2.644 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)Nc2cc(Br)cc(C(F)(F)F)c2)CCO1 ZINC000415207941 563762268 /nfs/dbraw/zinc/76/22/68/563762268.db2.gz FXEZINOEQWOJCQ-NSHDSACASA-N 1 0 382.180 2.659 20 0 GFADRO [NH3+]CCCCNC(=O)Nc1ccc(CCn2cc(Br)cn2)cc1 ZINC000415205545 563762454 /nfs/dbraw/zinc/76/24/54/563762454.db2.gz BGUKHUVPRPJGPU-UHFFFAOYSA-N 1 0 380.290 2.749 20 0 GFADRO CN(C[C@H](O)C[NH3+])C(=O)Nc1cc(C(F)(F)F)ccc1SCC(F)F ZINC000415217574 563762821 /nfs/dbraw/zinc/76/28/21/563762821.db2.gz VRLJVRQNBPPNJD-SECBINFHSA-N 1 0 387.374 2.846 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)Nc2ccc(F)c(Br)c2)CC12CCOCC2 ZINC000415222068 563763060 /nfs/dbraw/zinc/76/30/60/563763060.db2.gz GGKUUYKJBLUXQV-NSHDSACASA-N 1 0 386.265 2.807 20 0 GFADRO CN(C(=O)Nc1cc(F)c(F)cc1I)[C@H](C[NH3+])C1CC1 ZINC000415240778 563763640 /nfs/dbraw/zinc/76/36/40/563763640.db2.gz QWLKWWMHINRUBC-GFCCVEGCSA-N 1 0 395.191 2.770 20 0 GFADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc(Br)cc(C(=O)OC)c1 ZINC000291951376 563766378 /nfs/dbraw/zinc/76/63/78/563766378.db2.gz QIXJJDIZJRHKGG-CVEARBPZSA-N 1 0 395.297 2.935 20 0 GFADRO CCOC(=O)c1c(NC(=O)N2CC[C@@H]([NH3+])[C@H](C)C2)sc2c1CCSC2 ZINC000415326547 563767437 /nfs/dbraw/zinc/76/74/37/563767437.db2.gz ANYKHZBOOJHYTJ-ZYHUDNBSSA-N 1 0 383.539 2.915 20 0 GFADRO COC(=O)c1cc(Br)ccc1NC(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000415327300 563767546 /nfs/dbraw/zinc/76/75/46/563767546.db2.gz IDNNHJODFNGELT-AWEZNQCLSA-N 1 0 384.274 2.875 20 0 GFADRO C[C@@H](NC(=O)C(=O)Nc1cc(Cl)cc(C(F)(F)F)c1)[C@H]1CCC[NH2+]C1 ZINC000415344045 563768103 /nfs/dbraw/zinc/76/81/03/563768103.db2.gz CNNRCHJVPQMFFV-ZJUUUORDSA-N 1 0 377.794 2.802 20 0 GFADRO COC(=O)c1cc(Br)ccc1NC(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000415338131 563768135 /nfs/dbraw/zinc/76/81/35/563768135.db2.gz VTHXRYDLYFEFSD-GMXVVIOVSA-N 1 0 396.285 2.745 20 0 GFADRO CN(Cc1ccccc1Br)C(=O)C[N@@H+]1CC[C@@H](n2cccn2)C1 ZINC000291994432 563768422 /nfs/dbraw/zinc/76/84/22/563768422.db2.gz XAEQGINDFSNEKA-OAHLLOKOSA-N 1 0 377.286 2.551 20 0 GFADRO C[C@H](C(=O)NC1CCCC1)[NH+]1CCC(Cn2cc(Br)cn2)CC1 ZINC000364910014 563768564 /nfs/dbraw/zinc/76/85/64/563768564.db2.gz FOHLHUJJKTWWPG-CYBMUJFWSA-N 1 0 383.334 2.805 20 0 GFADRO CCOc1c(Cl)cc(NC(=O)C(=O)N[C@@H](C)[C@H]2CCC[NH2+]C2)cc1Cl ZINC000415346231 563768832 /nfs/dbraw/zinc/76/88/32/563768832.db2.gz GVEVPZLKWISPCC-QWRGUYRKSA-N 1 0 388.295 2.835 20 0 GFADRO CCOC(=O)c1c(NC(=O)N[C@](C)(C[NH3+])C2CC2)sc2c1CCSC2 ZINC000415346258 563768902 /nfs/dbraw/zinc/76/89/02/563768902.db2.gz ZWMDWZDKISUCTN-QGZVFWFLSA-N 1 0 383.539 2.963 20 0 GFADRO CCOC(=O)c1cc(Br)ccc1NC(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000415349840 563768909 /nfs/dbraw/zinc/76/89/09/563768909.db2.gz MGAWQLIOAXFYJH-KRWDZBQOSA-N 1 0 396.285 2.843 20 0 GFADRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)Nc1cnn(-c2ccccc2Br)c1 ZINC000415350631 563769292 /nfs/dbraw/zinc/76/92/92/563769292.db2.gz GHHQYJBEZNWXIT-FZMZJTMJSA-N 1 0 378.274 2.754 20 0 GFADRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)Nc1cccc(F)c1I ZINC000415353272 563769392 /nfs/dbraw/zinc/76/93/92/563769392.db2.gz CLQUUOKVYQLNKF-RKDXNWHRSA-N 1 0 377.201 2.631 20 0 GFADRO C[C@H]1CN(C(=O)Nc2cccc(F)c2I)[C@@H](C)C[NH2+]1 ZINC000415352829 563769537 /nfs/dbraw/zinc/76/95/37/563769537.db2.gz CAGYXNJELXTJEO-IUCAKERBSA-N 1 0 377.201 2.644 20 0 GFADRO C[C@@H](CO)[N@@H+]1CCCN(C(=O)C(C)(C)c2ccc(Br)cc2)CC1 ZINC000364939514 563769742 /nfs/dbraw/zinc/76/97/42/563769742.db2.gz XWAQNQBHONXPPX-AWEZNQCLSA-N 1 0 383.330 2.642 20 0 GFADRO C[C@H]1[C@H](C)N(C(=O)C(=O)Nc2cc(Cl)ccc2Br)CCN1C ZINC000442248557 563769905 /nfs/dbraw/zinc/76/99/05/563769905.db2.gz FHQQWEWMOXFJTM-UWVGGRQHSA-N 1 0 388.693 2.592 20 0 GFADRO CC1(NC(=O)Nc2cccc(F)c2I)CC[NH2+]CC1 ZINC000415355213 563770189 /nfs/dbraw/zinc/77/01/89/563770189.db2.gz FQRKXCJMAINEOA-UHFFFAOYSA-N 1 0 377.201 2.694 20 0 GFADRO CC(C)(O)C[N@@H+]1CCCN(C(=O)C2(c3ccccc3Br)CC2)CC1 ZINC000364976730 563770510 /nfs/dbraw/zinc/77/05/10/563770510.db2.gz NJCULSNNTRPRFU-UHFFFAOYSA-N 1 0 395.341 2.786 20 0 GFADRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)Nc1cccc(F)c1I ZINC000415364255 563770693 /nfs/dbraw/zinc/77/06/93/563770693.db2.gz RTDLXAYJGDBXAG-KCJUWKMLSA-N 1 0 377.201 2.550 20 0 GFADRO [NH3+]C[C@H]1CCN(C(=O)C(=O)Nc2cc(Cl)ccc2SCC(F)(F)F)C1 ZINC000415359278 563770797 /nfs/dbraw/zinc/77/07/97/563770797.db2.gz VWXBJMFSVYZVRD-SECBINFHSA-N 1 0 395.834 2.740 20 0 GFADRO [NH3+][C@@H]1CCC[C@H](NC(=O)Nc2cccc(F)c2I)C1 ZINC000415366831 563771205 /nfs/dbraw/zinc/77/12/05/563771205.db2.gz XAEFTZFIQDSEGC-BDAKNGLRSA-N 1 0 377.201 2.822 20 0 GFADRO C[C@H]([NH3+])C1CCN(C(=O)C(=O)Nc2cccc(Cl)c2Br)CC1 ZINC000415379701 563771318 /nfs/dbraw/zinc/77/13/18/563771318.db2.gz FOSMRJPVCWCSFH-VIFPVBQESA-N 1 0 388.693 2.627 20 0 GFADRO C[C@H]([NH3+])CCNC(=O)C(=O)Nc1cc(Cl)ccc1SCC(F)(F)F ZINC000415378024 563771368 /nfs/dbraw/zinc/77/13/68/563771368.db2.gz OVLLCULRMVIDDY-QMMMGPOBSA-N 1 0 383.823 2.786 20 0 GFADRO Cc1cc(F)c(NC(=O)N[C@H]2CC[NH2+]C[C@H]2C)c(I)c1 ZINC000415391958 563771888 /nfs/dbraw/zinc/77/18/88/563771888.db2.gz MSNFTZVOHPOMOL-SKDRFNHKSA-N 1 0 391.228 2.858 20 0 GFADRO C[C@@H]([NH3+])C1CCN(C(=O)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000415387655 563772057 /nfs/dbraw/zinc/77/20/57/563772057.db2.gz QWUPQYHIVYLCIU-SECBINFHSA-N 1 0 377.794 2.883 20 0 GFADRO CCCN(C(=O)C(=O)Nc1cc(C)c(Br)c(C)c1)[C@@H]1CC[NH2+]C1 ZINC000415401528 563772834 /nfs/dbraw/zinc/77/28/34/563772834.db2.gz IPSCNYASHQKCPV-CQSZACIVSA-N 1 0 382.302 2.605 20 0 GFADRO O=C(NCC[C@H]1CCC[NH2+]C1)C(=O)Nc1ccc(C(F)(F)F)cc1Cl ZINC000415405166 563772981 /nfs/dbraw/zinc/77/29/81/563772981.db2.gz BULZTNUJMYJGQH-SNVBAGLBSA-N 1 0 377.794 2.803 20 0 GFADRO COCCOc1c(Cl)cc(NC(=O)NC[C@H]2C[NH2+]CCCO2)cc1Cl ZINC000415408930 563773565 /nfs/dbraw/zinc/77/35/65/563773565.db2.gz RQJCCVFYKOZMSP-GFCCVEGCSA-N 1 0 392.283 2.519 20 0 GFADRO COC(=O)c1cc(NC(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)ccc1Br ZINC000415410991 563773611 /nfs/dbraw/zinc/77/36/11/563773611.db2.gz VNSGXZWRXWNQLH-XEGUGMAKSA-N 1 0 396.285 2.827 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000415410238 563773613 /nfs/dbraw/zinc/77/36/13/563773613.db2.gz JTIQQRBEODZOIY-ZDUSSCGKSA-N 1 0 382.302 2.510 20 0 GFADRO O=C(CC[C@H]1CCC[NH2+]1)NC[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000292097062 563773861 /nfs/dbraw/zinc/77/38/61/563773861.db2.gz NYQPGENXCKVSDZ-GDBMZVCRSA-N 1 0 380.330 2.924 20 0 GFADRO COCCOc1ccc(Br)cc1NC(=O)N[C@@H]1CC[NH2+]C1(C)C ZINC000415420415 563774130 /nfs/dbraw/zinc/77/41/30/563774130.db2.gz ACNOINIIHRBEAM-CQSZACIVSA-N 1 0 386.290 2.736 20 0 GFADRO C[NH2+][C@H]1CCCN(C(=O)Nc2cc(Br)ccc2OCCOC)C1 ZINC000415422865 563774425 /nfs/dbraw/zinc/77/44/25/563774425.db2.gz FLORBWMHBPMFCI-ZDUSSCGKSA-N 1 0 386.290 2.690 20 0 GFADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)NCCCCn3cc(Br)cn3)CC[C@H]21 ZINC000365113263 563774737 /nfs/dbraw/zinc/77/47/37/563774737.db2.gz VNZWDLHQMXNMKN-GDBMZVCRSA-N 1 0 398.349 2.552 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)Nc2ccc(Br)cc2Cl)C1 ZINC000415428598 563774869 /nfs/dbraw/zinc/77/48/69/563774869.db2.gz CYKIXIAGGOSIOL-UWVGGRQHSA-N 1 0 388.693 2.627 20 0 GFADRO CC(C)(O)C[N@@H+]1CCCN(C(=O)c2c(F)ccc(Br)c2F)CC1 ZINC000365131270 563775594 /nfs/dbraw/zinc/77/55/94/563775594.db2.gz FWHHPASTJDUCKR-UHFFFAOYSA-N 1 0 391.256 2.646 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000415440425 563776214 /nfs/dbraw/zinc/77/62/14/563776214.db2.gz MPCZUPALMSHTAO-STQMWFEESA-N 1 0 382.302 2.590 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)Nc1ccc(S(C)(=O)=O)c(C(F)F)c1 ZINC000415445186 563776281 /nfs/dbraw/zinc/77/62/81/563776281.db2.gz VSEZAXVGFKGAKB-GWCFXTLKSA-N 1 0 375.441 2.761 20 0 GFADRO COc1ccc(Br)c(NC(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c1 ZINC000365182068 563776378 /nfs/dbraw/zinc/77/63/78/563776378.db2.gz GRRMCUHWQCSTLW-CVEARBPZSA-N 1 0 398.301 2.521 20 0 GFADRO Cc1ccc(Br)c(NC(=O)C(=O)N2CCC([NH2+]CC3CC3)CC2)c1 ZINC000415452942 563776986 /nfs/dbraw/zinc/77/69/86/563776986.db2.gz PTRZTRDRQCAVGA-UHFFFAOYSA-N 1 0 394.313 2.687 20 0 GFADRO COC(=O)c1cc(Br)c(F)cc1NC(=O)N1CC[C@H]([C@H](C)[NH3+])C1 ZINC000415465803 563777102 /nfs/dbraw/zinc/77/71/02/563777102.db2.gz GCAAAMOJSLVIKM-IUCAKERBSA-N 1 0 388.237 2.576 20 0 GFADRO CCC([NH3+])(CC)CNC(=O)C(=O)Nc1cccc2cc(Br)cnc21 ZINC000415479000 563778312 /nfs/dbraw/zinc/77/83/12/563778312.db2.gz BVQVTOQIXDKPRH-UHFFFAOYSA-N 1 0 393.285 2.570 20 0 GFADRO [NH3+][C@H]1CCC[C@@H](CNC(=O)Nc2cc(Br)cnc2-n2cccn2)C1 ZINC000415476313 563778331 /nfs/dbraw/zinc/77/83/31/563778331.db2.gz BNPUAJNARLMPCS-YPMHNXCESA-N 1 0 393.289 2.669 20 0 GFADRO CN(CC(C)(C)C[NH3+])C(=O)C(=O)Nc1ccc(-c2ccc(Cl)s2)nc1 ZINC000415489290 563779045 /nfs/dbraw/zinc/77/90/45/563779045.db2.gz WVIDQLOYBMHEIB-UHFFFAOYSA-N 1 0 380.901 2.845 20 0 GFADRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)Nc1cc(Cl)cc(Br)c1 ZINC000415504084 563780201 /nfs/dbraw/zinc/78/02/01/563780201.db2.gz OURWSMWDHAAOPB-ZDUSSCGKSA-N 1 0 390.709 2.873 20 0 GFADRO CCCN(C(=O)C(=O)Nc1ccc(Br)cc1CC)C1CC[NH2+]CC1 ZINC000415503369 563780305 /nfs/dbraw/zinc/78/03/05/563780305.db2.gz ROGXNAFUYYKAIN-UHFFFAOYSA-N 1 0 396.329 2.941 20 0 GFADRO O=C(Nc1ccnn1Cc1c(Cl)cccc1Cl)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000415521735 563781370 /nfs/dbraw/zinc/78/13/70/563781370.db2.gz LMTOBWYVBZIIRI-TXEJJXNPSA-N 1 0 380.279 2.921 20 0 GFADRO C[NH2+]C[C@H]1CCN(C(=O)Nc2ccnn2Cc2ccccc2Br)C1 ZINC000415524577 563782053 /nfs/dbraw/zinc/78/20/53/563782053.db2.gz UFWYOJLIVXGZHF-CYBMUJFWSA-N 1 0 392.301 2.767 20 0 GFADRO C[C@H]([NH2+]CCNS(=O)(=O)c1ccc(Cl)cc1F)c1cccc(CO)c1 ZINC000442869840 563782368 /nfs/dbraw/zinc/78/23/68/563782368.db2.gz PRTNMAQULDBHHV-LBPRGKRZSA-N 1 0 386.876 2.601 20 0 GFADRO CC[N@H+](Cc1ccc(Br)c(Br)c1)[C@@H]1CCNC1=O ZINC000442969905 563785564 /nfs/dbraw/zinc/78/55/64/563785564.db2.gz ZCAYMFOIFXUDAU-GFCCVEGCSA-N 1 0 376.092 2.922 20 0 GFADRO C[C@@H]1CN(C(=O)Nc2ccnn2Cc2cccc(Br)c2)C[C@H]1[NH3+] ZINC000415526214 563782623 /nfs/dbraw/zinc/78/26/23/563782623.db2.gz XUITUZHLMAWROQ-BXUZGUMPSA-N 1 0 378.274 2.505 20 0 GFADRO CCOC[C@@H]1CCC[C@H]1[NH2+]CCNS(=O)(=O)c1ccc(Cl)cc1F ZINC000442887973 563782866 /nfs/dbraw/zinc/78/28/66/563782866.db2.gz CLQLXAURNVJFBH-SWLSCSKDSA-N 1 0 378.897 2.552 20 0 GFADRO CC(C)(C)OC1CC([NH2+]CCNS(=O)(=O)c2ccc(Cl)cc2F)C1 ZINC000442888931 563783263 /nfs/dbraw/zinc/78/32/63/563783263.db2.gz IDCRCJBRKRDTMQ-UHFFFAOYSA-N 1 0 378.897 2.693 20 0 GFADRO Cc1c(Br)cc(C(=O)N2CCC([N@H+]3CCC[C@H]3C)CC2)c(=O)n1C ZINC000365448794 563783700 /nfs/dbraw/zinc/78/37/00/563783700.db2.gz ARBJVDJCQNHEHJ-GFCCVEGCSA-N 1 0 396.329 2.545 20 0 GFADRO CC1(CNC(=O)C(=O)Nc2ccc(Br)c(Cl)c2)CC[NH2+]CC1 ZINC000415570969 563784845 /nfs/dbraw/zinc/78/48/45/563784845.db2.gz MSFCJIVTAUOMCB-UHFFFAOYSA-N 1 0 388.693 2.547 20 0 GFADRO COc1ccc(CCC(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)cc1Br ZINC000292410147 563785512 /nfs/dbraw/zinc/78/55/12/563785512.db2.gz ZMTSZPWXMKKEHL-GOSISDBHSA-N 1 0 381.314 2.945 20 0 GFADRO COc1cc(NC(=O)NC[C@H](C)C[NH3+])c(Br)cc1Br ZINC000415592474 563785874 /nfs/dbraw/zinc/78/58/74/563785874.db2.gz TYQCEIIVMDZOIK-SSDOTTSWSA-N 1 0 395.095 2.937 20 0 GFADRO COc1ccc(NC(=O)N[C@H](C[NH3+])CC(C)C)c(I)c1 ZINC000415600121 563786873 /nfs/dbraw/zinc/78/68/73/563786873.db2.gz SGSVXMKEDALGOG-JTQLQIEISA-N 1 0 391.253 2.795 20 0 GFADRO COc1ccc(NC(=O)NC2CCC([NH3+])CC2)c(I)c1 ZINC000415602596 563787011 /nfs/dbraw/zinc/78/70/11/563787011.db2.gz YLFJTBIPFCOWPZ-UHFFFAOYSA-N 1 0 389.237 2.691 20 0 GFADRO COC(=O)c1cccc(NC(=O)N[C@H]2CC[NH2+]CC2(C)C)c1Br ZINC000415603907 563787336 /nfs/dbraw/zinc/78/73/36/563787336.db2.gz DNAVFCKDWFZBAA-LBPRGKRZSA-N 1 0 384.274 2.745 20 0 GFADRO COC(=O)c1c(C)c(NC(=O)N2CC[C@@H]([C@H](C)[NH3+])C2)ccc1Br ZINC000415606673 563787376 /nfs/dbraw/zinc/78/73/76/563787376.db2.gz YYEVUCVCNGNXFS-WDEREUQCSA-N 1 0 384.274 2.745 20 0 GFADRO COC(=O)c1cccc(NC(=O)NCCC[C@H]2CCC[NH2+]2)c1Br ZINC000415615672 563788217 /nfs/dbraw/zinc/78/82/17/563788217.db2.gz RMYPEJVVBJNQQH-LLVKDONJSA-N 1 0 384.274 2.889 20 0 GFADRO CN1CC[NH+](C[C@H]2CCCN(C(=O)[C@@H]3SCCc4sccc43)C2)CC1 ZINC000365592050 563788322 /nfs/dbraw/zinc/78/83/22/563788322.db2.gz HJANETBCPSTLST-CRAIPNDOSA-N 1 0 379.595 2.565 20 0 GFADRO COC(=O)c1cccc(NC(=O)N[C@H]2CCCC[C@@H]2C[NH3+])c1Br ZINC000415614962 563788333 /nfs/dbraw/zinc/78/83/33/563788333.db2.gz PYAMBAVRRXRGRQ-PWSUYJOCSA-N 1 0 384.274 2.875 20 0 GFADRO CCCC[C@H](C[NH3+])NC(=O)Nc1ccnn1-c1ccc(Br)cn1 ZINC000415630087 563788702 /nfs/dbraw/zinc/78/87/02/563788702.db2.gz CBLXNQHMURBNIO-GFCCVEGCSA-N 1 0 381.278 2.669 20 0 GFADRO Cc1cc(Cl)cc(NC(=O)C(=O)NCC[C@H]2CCC[NH2+]2)c1Br ZINC000415623781 563788869 /nfs/dbraw/zinc/78/88/69/563788869.db2.gz HYFKWQXWOWXKDM-LLVKDONJSA-N 1 0 388.693 2.608 20 0 GFADRO C[C@H]1CCN(C(=O)Nc2nnc(-c3ccc(Cl)cc3F)s2)C[C@H]1C[NH3+] ZINC000415630388 563788901 /nfs/dbraw/zinc/78/89/01/563788901.db2.gz LDHLQQBYHAGBBX-VHSXEESVSA-N 1 0 383.880 3.446 20 0 GFADRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)Nc1cccc(Cl)c1SCC(F)F ZINC000415621948 563788906 /nfs/dbraw/zinc/78/89/06/563788906.db2.gz KIJZAMWPPSLGDZ-CABZTGNLSA-N 1 0 391.871 2.750 20 0 GFADRO CC(C)C[C@@H](C[NH3+])NC(=O)Nc1ccnn1-c1ccc(Br)cn1 ZINC000415629713 563788955 /nfs/dbraw/zinc/78/89/55/563788955.db2.gz BUALSXHQFRHJML-LBPRGKRZSA-N 1 0 381.278 2.525 20 0 GFADRO C[C@H]([NH2+]Cc1cccc(S(=O)(=O)N(C)C)c1)[C@H]1OCCc2sccc21 ZINC000292495787 563789235 /nfs/dbraw/zinc/78/92/35/563789235.db2.gz UDHCHTDKGPOKJS-SCLBCKFNSA-N 1 0 380.535 2.791 20 0 GFADRO COC(=O)c1cc(F)c(Br)cc1NC(=O)N[C@H]1CC[NH2+]C1(C)C ZINC000415632241 563789485 /nfs/dbraw/zinc/78/94/85/563789485.db2.gz SVFAZHSJFKRFNZ-LBPRGKRZSA-N 1 0 388.237 2.637 20 0 GFADRO C[NH2+]C[C@@H]1CCCN1C(=O)Nc1cc(Br)c(F)cc1C(=O)OC ZINC000415632900 563789488 /nfs/dbraw/zinc/78/94/88/563789488.db2.gz YFAWEEPLXBADBI-VIFPVBQESA-N 1 0 388.237 2.591 20 0 GFADRO Cc1csc(C(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)c1I ZINC000292567022 563789846 /nfs/dbraw/zinc/78/98/46/563789846.db2.gz OEPLZXVYOYSJEL-CQSZACIVSA-N 1 0 390.290 2.829 20 0 GFADRO Cc1cc(Br)cc(Cl)c1NC(=O)C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000415639928 563790085 /nfs/dbraw/zinc/79/00/85/563790085.db2.gz DEYBQPQSNKNWLM-QWRGUYRKSA-N 1 0 388.693 2.736 20 0 GFADRO [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)Nc1cc(Cl)c(Cl)cc1F ZINC000415652570 563790796 /nfs/dbraw/zinc/79/07/96/563790796.db2.gz HMSJIRUEHNRABU-SNVBAGLBSA-N 1 0 391.274 2.984 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H](NC(=O)C(=O)Nc2cccnc2-c2ccc(Cl)s2)C1 ZINC000415652403 563790814 /nfs/dbraw/zinc/79/08/14/563790814.db2.gz RGCNDOMSARZNRB-GHMZBOCLSA-N 1 0 378.885 2.788 20 0 GFADRO C[N@@H+]1CCN(CCNC(=O)c2ccoc2Br)[C@H](c2ccccc2)C1 ZINC000365677700 563790922 /nfs/dbraw/zinc/79/09/22/563790922.db2.gz YWDOYBMEQRVYET-INIZCTEOSA-N 1 0 392.297 2.761 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)Nc2ccc(OCC(F)(F)F)c(Cl)c2)CCCO1 ZINC000415668926 563790931 /nfs/dbraw/zinc/79/09/31/563790931.db2.gz DPUAPGJCQNIGJA-LLVKDONJSA-N 1 0 381.782 2.863 20 0 GFADRO Cc1cc(Br)cc(Cl)c1NC(=O)C(=O)N[C@H]1CCC[NH2+][C@H]1C ZINC000415681295 563791539 /nfs/dbraw/zinc/79/15/39/563791539.db2.gz RDNIFGKAAHLDMT-CABZTGNLSA-N 1 0 388.693 2.606 20 0 GFADRO O=C(Nc1cc(Cl)ccc1C(F)(F)F)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000415704748 563791906 /nfs/dbraw/zinc/79/19/06/563791906.db2.gz KPKQOZSFTFPADI-LBPRGKRZSA-N 1 0 376.810 2.870 20 0 GFADRO COC(=O)c1cc(NC(=O)N2CC[C@H](C)[C@H](C[NH3+])C2)c(C)cc1Br ZINC000415703314 563791977 /nfs/dbraw/zinc/79/19/77/563791977.db2.gz FNNXWYFRWDAKLO-CMPLNLGQSA-N 1 0 398.301 2.993 20 0 GFADRO [NH3+]CC[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(Br)c(Cl)c2)C1 ZINC000415695933 563792093 /nfs/dbraw/zinc/79/20/93/563792093.db2.gz YKPHLFNFYBQBHY-JTQLQIEISA-N 1 0 388.693 2.628 20 0 GFADRO COC(=O)c1cc(NC(=O)N2CC[C@@H]([NH3+])[C@@H](C)C2)c(C)cc1Br ZINC000415709765 563792690 /nfs/dbraw/zinc/79/26/90/563792690.db2.gz QDVFYSUFPPCVMH-GXFFZTMASA-N 1 0 384.274 2.745 20 0 GFADRO COC(=O)c1cc(NC(=O)N2CC[C@H]([NH3+])[C@@H](C)C2)c(C)cc1Br ZINC000415709763 563792807 /nfs/dbraw/zinc/79/28/07/563792807.db2.gz QDVFYSUFPPCVMH-GWCFXTLKSA-N 1 0 384.274 2.745 20 0 GFADRO CNC(=O)c1cccc(NC(=O)N(C)CC[C@@H]([NH3+])C(C)C)c1Br ZINC000415715814 563793386 /nfs/dbraw/zinc/79/33/86/563793386.db2.gz ZGYVVAYNCVOIAL-GFCCVEGCSA-N 1 0 385.306 2.646 20 0 GFADRO O=C(CC1CCN(Cc2cnc(C(F)(F)F)s2)CC1)N1CCOCC1 ZINC000365794569 563793580 /nfs/dbraw/zinc/79/35/80/563793580.db2.gz KBSMTARXIRMEFD-UHFFFAOYSA-N 1 0 377.432 2.623 20 0 GFADRO C[C@@H](CCCC[NH3+])NC(=O)C(=O)Nc1ccc(Cl)c(Br)c1 ZINC000415745380 563793735 /nfs/dbraw/zinc/79/37/35/563793735.db2.gz RUFANTIDZODHNR-VIFPVBQESA-N 1 0 376.682 2.675 20 0 GFADRO C[C@H](CCCC[NH3+])NC(=O)C(=O)Nc1cc(F)ccc1SCC(F)F ZINC000415741787 563793979 /nfs/dbraw/zinc/79/39/79/563793979.db2.gz LNBUVVGYKQXKBY-SNVBAGLBSA-N 1 0 377.432 2.755 20 0 GFADRO CC(C)(CCC[NH3+])NC(=O)C(=O)Nc1cc(Cl)cc(Br)c1 ZINC000415754057 563794564 /nfs/dbraw/zinc/79/45/64/563794564.db2.gz DUNLTLQFBKOGSH-UHFFFAOYSA-N 1 0 376.682 2.675 20 0 GFADRO Cc1csc(Sc2ccc(NC(=O)C(=O)N[C@@H](C)CCC[NH3+])cc2)n1 ZINC000415762419 563794973 /nfs/dbraw/zinc/79/49/73/563794973.db2.gz OWIYTQGOTAHSFE-NSHDSACASA-N 1 0 378.523 2.785 20 0 GFADRO COc1cc(I)ccc1NC(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000415773419 563795603 /nfs/dbraw/zinc/79/56/03/563795603.db2.gz MTZFZVCATXIZBA-GXSJLCMTSA-N 1 0 389.237 2.501 20 0 GFADRO COc1cc(I)ccc1NC(=O)N[C@](C)(C[NH3+])C(C)C ZINC000415771095 563795619 /nfs/dbraw/zinc/79/56/19/563795619.db2.gz HGOAEOMYNZXPGS-CQSZACIVSA-N 1 0 391.253 2.795 20 0 GFADRO CCCOc1c(Br)cc(C[NH2+]C[C@H]2CC[C@@H](CO)O2)cc1OC ZINC000292799645 563795993 /nfs/dbraw/zinc/79/59/93/563795993.db2.gz VNKUSMUAXOKBEB-KGLIPLIRSA-N 1 0 388.302 2.876 20 0 GFADRO C[C@@H](CCCC[NH3+])NC(=O)C(=O)Nc1ccc(Br)cc1Cl ZINC000415780971 563796295 /nfs/dbraw/zinc/79/62/95/563796295.db2.gz MFPUMRWJBXWKTO-VIFPVBQESA-N 1 0 376.682 2.675 20 0 GFADRO [NH3+][C@@H]1CCC[C@H](CNC(=O)C(=O)Nc2cc3c(cc2Br)CCC3)C1 ZINC000415819503 563798136 /nfs/dbraw/zinc/79/81/36/563798136.db2.gz YERSOSPPQMWOMK-SMDDNHRTSA-N 1 0 394.313 2.510 20 0 GFADRO O=C1[C@H](N2CC[NH+]([C@H]3CCSC3)CC2)CCCN1c1ccccc1Cl ZINC000366066278 563798166 /nfs/dbraw/zinc/79/81/66/563798166.db2.gz HLVSPCCKKZGUHZ-MAUKXSAKSA-N 1 0 379.957 2.959 20 0 GFADRO OCc1cn([C@@H]2CCC[N@H+](CCCc3ccccc3Br)C2)nn1 ZINC000293040111 563798865 /nfs/dbraw/zinc/79/88/65/563798865.db2.gz SELMDPJGHLTXGU-MRXNPFEDSA-N 1 0 379.302 2.803 20 0 GFADRO Cc1cccc(NC(=O)C(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1Br ZINC000415853486 563799497 /nfs/dbraw/zinc/79/94/97/563799497.db2.gz LOWMSIIJGMUWNO-KGLIPLIRSA-N 1 0 394.313 2.544 20 0 GFADRO O=C(Nc1ccc2c(c1)C[NH2+]CC2)N[C@H](CO)c1cccc(Br)c1 ZINC000415905030 563800386 /nfs/dbraw/zinc/80/03/86/563800386.db2.gz ZDFVBDGQUAZDGF-QGZVFWFLSA-N 1 0 390.281 2.950 20 0 GFADRO CNC(=O)CC[N@@H+]1CCC[C@H]1c1nc(-c2ccccc2Br)no1 ZINC000443337162 563801636 /nfs/dbraw/zinc/80/16/36/563801636.db2.gz ZXZBQDXHCWMRON-ZDUSSCGKSA-N 1 0 379.258 2.772 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(Br)cc2)C[C@H]1C ZINC000443377936 563803095 /nfs/dbraw/zinc/80/30/95/563803095.db2.gz ZXOOZOCTOPDZSP-DOMZBBRYSA-N 1 0 382.302 2.719 20 0 GFADRO [NH3+]CC[C@@H](NC(=O)N1CCc2ccc(Br)cc2C1)C(F)(F)F ZINC000416040009 563803828 /nfs/dbraw/zinc/80/38/28/563803828.db2.gz HDLPQHIOCXVSHV-GFCCVEGCSA-N 1 0 380.208 2.797 20 0 GFADRO O=C(NCCNc1ncc(Cl)cc1Cl)c1cccn1C1CC[NH2+]CC1 ZINC000366331139 563805364 /nfs/dbraw/zinc/80/53/64/563805364.db2.gz UJEZHKQXPRKHPC-UHFFFAOYSA-N 1 0 382.295 2.956 20 0 GFADRO CCc1n[nH]c(C(=O)NCC2(C)C[NH+](Cc3ccccc3)C2)c1Br ZINC000366415101 563807579 /nfs/dbraw/zinc/80/75/79/563807579.db2.gz MSWIWABJVJOEDD-UHFFFAOYSA-N 1 0 391.313 2.987 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)[C@@H]2CCCN(c3ccc(Br)cn3)C2)C1 ZINC000366413919 563807717 /nfs/dbraw/zinc/80/77/17/563807717.db2.gz KXJACECFPCFHJW-RRFJBIMHSA-N 1 0 395.345 2.646 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2C(=O)c1cc(Br)ccc1F ZINC000366434391 563808221 /nfs/dbraw/zinc/80/82/21/563808221.db2.gz FRVWVUQOJCCEPB-DAXOMENPSA-N 1 0 385.277 2.912 20 0 GFADRO CC[N@H+](CCNC(=O)C(=O)Nc1cc(F)cc(F)c1Br)C(C)C ZINC000443729642 563810870 /nfs/dbraw/zinc/81/08/70/563810870.db2.gz DVLWDVPTVYPLTB-UHFFFAOYSA-N 1 0 392.244 2.512 20 0 GFADRO O=C(c1c(F)cccc1Br)N1CC[C@H](OCC[NH+]2CCCC2)C1 ZINC000443801468 563812510 /nfs/dbraw/zinc/81/25/10/563812510.db2.gz MCVCXUOXUKQELO-ZDUSSCGKSA-N 1 0 385.277 2.915 20 0 GFADRO Cc1c(C(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)cnn1-c1ccc(Br)cc1 ZINC000293464805 563813731 /nfs/dbraw/zinc/81/37/31/563813731.db2.gz QHRXYAJUPOOOPS-CXAGYDPISA-N 1 0 389.297 2.767 20 0 GFADRO CNC(=O)C1CC[NH+](C[C@@](C)(O)c2ccc(Br)cc2Cl)CC1 ZINC000293495931 563814840 /nfs/dbraw/zinc/81/48/40/563814840.db2.gz NKHTZIGVXJNEMT-MRXNPFEDSA-N 1 0 389.721 2.768 20 0 GFADRO COC(=O)c1cc(Br)cc(C(=O)N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)c1 ZINC000293508740 563815701 /nfs/dbraw/zinc/81/57/01/563815701.db2.gz ZJSWVVXQVGFCBH-BLLLJJGKSA-N 1 0 395.297 2.935 20 0 GFADRO COC(=O)Cc1csc(NC(=O)CN2C[C@H](c3cccs3)C[C@@H]2C)n1 ZINC000366617441 563816020 /nfs/dbraw/zinc/81/60/20/563816020.db2.gz DHGOSIBRBOHPTI-NWDGAFQWSA-N 1 0 379.507 2.737 20 0 GFADRO O=S1(=O)CCCN1c1ccc(C[NH2+]Cc2cnc(C(F)(F)F)s2)cc1 ZINC000444001348 563817435 /nfs/dbraw/zinc/81/74/35/563817435.db2.gz XYURHIWRUBLZCN-UHFFFAOYSA-N 1 0 391.440 2.992 20 0 GFADRO COC(=O)c1c(Cl)cccc1S(=O)(=O)NC[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000416369119 563818222 /nfs/dbraw/zinc/81/82/22/563818222.db2.gz HVWUAEBUXHLMPQ-STQMWFEESA-N 1 0 388.917 2.525 20 0 GFADRO COc1cc(OC)c(S(=O)(=O)NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)cc1Cl ZINC000416375260 563818967 /nfs/dbraw/zinc/81/89/67/563818967.db2.gz RLLQKOSVAQBIOH-OLZOCXBDSA-N 1 0 390.933 2.756 20 0 GFADRO C[N@@H+]1CC[C@H]2[C@H](CCCN2S(=O)(=O)c2ccc(C(F)(F)F)cc2F)C1 ZINC000444083177 563820803 /nfs/dbraw/zinc/82/08/03/563820803.db2.gz JQGZIYFDWQJQGW-RISCZKNCSA-N 1 0 380.407 2.949 20 0 GFADRO Cn1cc2c(n1)CCC[C@H]2[NH2+][C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000366838392 563821680 /nfs/dbraw/zinc/82/16/80/563821680.db2.gz BHPOCGICHOQXHI-WBVHZDCISA-N 1 0 389.297 2.955 20 0 GFADRO CCO[C@@H]1C[C@]([NH3+])(C(=O)NCc2cc(OC)ccc2Br)C1(C)C ZINC000444143017 563822787 /nfs/dbraw/zinc/82/27/87/563822787.db2.gz QEHJUTVWXPZTTE-PBHICJAKSA-N 1 0 385.302 2.606 20 0 GFADRO Cc1ccc(Br)c(S(=O)(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)c1 ZINC000366941934 563825211 /nfs/dbraw/zinc/82/52/11/563825211.db2.gz VRMOXPUAYOOTKK-OAHLLOKOSA-N 1 0 387.343 2.910 20 0 GFADRO Cc1nn(C)c(S(=O)(=O)N(CC[NH+](C)C)C2CCCCC2)c1C(F)F ZINC000416415682 563825682 /nfs/dbraw/zinc/82/56/82/563825682.db2.gz IRGAFFLKNPVHRC-UHFFFAOYSA-N 1 0 378.489 2.551 20 0 GFADRO O=C(NCc1ccc(-n2ccnc2)nc1)[C@H]1COc2ccc(Br)cc21 ZINC000366962453 563826056 /nfs/dbraw/zinc/82/60/56/563826056.db2.gz NYDXKFHVPSONTF-HNNXBMFYSA-N 1 0 399.248 2.822 20 0 GFADRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)c3ccc(C(F)(F)F)nc3Cl)[C@H]2C1 ZINC000293893907 563827868 /nfs/dbraw/zinc/82/78/68/563827868.db2.gz MDJICPGIUBZRHB-NWDGAFQWSA-N 1 0 377.794 2.689 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C1CC1)c1ccccc1I ZINC000367069634 563829044 /nfs/dbraw/zinc/82/90/44/563829044.db2.gz XNCVDPBOFQQHKE-JJMVLAAESA-N 1 0 384.261 2.999 20 0 GFADRO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@@H]1CCC(=O)N[C@H]1C1CC1 ZINC000367065056 563829308 /nfs/dbraw/zinc/82/93/08/563829308.db2.gz DNECNJSLBABKTL-MZKGEVEHSA-N 1 0 394.313 2.813 20 0 GFADRO CCn1nc2c(cc1=O)CN(Cc1nc3cc(Br)ccc3o1)CC2 ZINC000367145631 563832908 /nfs/dbraw/zinc/83/29/08/563832908.db2.gz SSKQFOZMQIMFTH-UHFFFAOYSA-N 1 0 389.253 2.725 20 0 GFADRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)c3cc(Br)c4c(c3)OCCO4)C2)C1 ZINC000294198575 563833643 /nfs/dbraw/zinc/83/36/43/563833643.db2.gz PYNLFVWLRQRRQE-GOSISDBHSA-N 1 0 395.297 2.778 20 0 GFADRO C[C@](O)(C[N@@H+]1CC[C@@]2(CNC(=O)C2)C1)c1ccc(Br)cc1Cl ZINC000294227626 563835366 /nfs/dbraw/zinc/83/53/66/563835366.db2.gz SQCVEYZYDKJKOC-JKSUJKDBSA-N 1 0 387.705 2.522 20 0 GFADRO C[C@@H]1C[NH+](CCCNC(=O)Cc2sccc2Br)C[C@@H](C)O1 ZINC000294257934 563836168 /nfs/dbraw/zinc/83/61/68/563836168.db2.gz CPJREDFFPVUALN-VXGBXAGGSA-N 1 0 375.332 2.669 20 0 GFADRO C[C@@H]1CN(C(=O)Nc2ccc(Br)c(F)c2)CC[N@@H+]1CC(C)(C)O ZINC000444868303 563838276 /nfs/dbraw/zinc/83/82/76/563838276.db2.gz GPOISCUESNVIFO-LLVKDONJSA-N 1 0 388.281 2.897 20 0 GFADRO CS(=O)(=O)N1CC[C@H](C[N@@H+]2CC[C@H](c3cccc(C(F)(F)F)c3)C2)C1 ZINC000367273503 563839034 /nfs/dbraw/zinc/83/90/34/563839034.db2.gz DKFMEFWUYFQDJP-HIFRSBDPSA-N 1 0 376.444 2.776 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000367289097 563839396 /nfs/dbraw/zinc/83/93/96/563839396.db2.gz ZTMREVZIYPYJDI-WCXIOVBPSA-N 1 0 387.307 2.737 20 0 GFADRO CC[NH+](CC)C[C@H](C)NC(=O)Nc1cc(Br)cnc1-n1cccn1 ZINC000444928223 563840527 /nfs/dbraw/zinc/84/05/27/563840527.db2.gz YBZYLSHINDCBJA-LBPRGKRZSA-N 1 0 395.305 2.882 20 0 GFADRO C[C@@H](CO)[N@@H+]1CCCN(c2ccc(Br)c(C(F)(F)F)n2)CC1 ZINC000367450998 563844838 /nfs/dbraw/zinc/84/48/38/563844838.db2.gz OCZRNYCAYOLMJC-JTQLQIEISA-N 1 0 382.224 2.756 20 0 GFADRO CC(C)[C@H](CNC(=O)Cc1cc[nH]c(=O)c1Br)[NH+]1CCC(C)CC1 ZINC000445259745 563847052 /nfs/dbraw/zinc/84/70/52/563847052.db2.gz IJVJYIWBZBSFGM-HNNXBMFYSA-N 1 0 398.345 2.965 20 0 GFADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)Nc3ccc([S@@](=O)C(F)(F)F)cc3)C[C@@H]21 ZINC000367583067 563848972 /nfs/dbraw/zinc/84/89/72/563848972.db2.gz QLNSMRPLEAXBPE-FFAKIYQDSA-N 1 0 375.416 2.872 20 0 GFADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)COc1c(Cl)cc(Cl)cc1Cl ZINC000294659984 563850025 /nfs/dbraw/zinc/85/00/25/563850025.db2.gz QJJLLXJPZSDTPT-LLVKDONJSA-N 1 0 394.730 2.778 20 0 GFADRO Cc1c([C@H](C)[NH2+]C[C@@H]2[C@H]3COC[C@H]32)nnn1-c1cccc(Br)c1 ZINC000367682253 563852400 /nfs/dbraw/zinc/85/24/00/563852400.db2.gz AQDGTNORMHOKGK-BLQKSXIESA-N 1 0 377.286 2.881 20 0 GFADRO COc1c(Cl)cc(NC(=O)N2C[C@H](C)[N@H+](CCO)C[C@H]2C)cc1Cl ZINC000416780923 563861180 /nfs/dbraw/zinc/86/11/80/563861180.db2.gz DCLPWDQGDQYTBY-WDEREUQCSA-N 1 0 376.284 2.921 20 0 GFADRO O=C(c1[nH]nc(-c2ccccc2)c1Br)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000368001722 563861593 /nfs/dbraw/zinc/86/15/93/563861593.db2.gz QMXRSWARSPBNLU-OLZOCXBDSA-N 1 0 375.270 2.521 20 0 GFADRO C[C@@H](NC(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1)c1cc(F)c(Cl)cc1Cl ZINC000416828482 563861720 /nfs/dbraw/zinc/86/17/20/563861720.db2.gz DWQJDXXBGWLWID-VXGBXAGGSA-N 1 0 389.302 2.883 20 0 GFADRO COc1ccc([C@@H](C)NC(=O)N[C@@H](CC[NH3+])C(F)F)cc1Br ZINC000416886699 563862566 /nfs/dbraw/zinc/86/25/66/563862566.db2.gz HCLWHHPWNBARLA-KCJUWKMLSA-N 1 0 380.233 2.800 20 0 GFADRO C[C@H](C(F)(F)F)S(=O)(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000368098509 563864144 /nfs/dbraw/zinc/86/41/44/563864144.db2.gz JXDANPJHRJJGAI-KBMXLJTQSA-N 1 0 376.444 2.721 20 0 GFADRO COc1ccc(Br)c(CNC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000417141731 563869213 /nfs/dbraw/zinc/86/92/13/563869213.db2.gz QKPQRPGOXXCCML-PBWFPOADSA-N 1 0 382.302 2.882 20 0 GFADRO CN(C(=O)NCCc1ccc(Cl)s1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000368390200 563869997 /nfs/dbraw/zinc/86/99/97/563869997.db2.gz OGKQYQUYPGHRHO-OAHLLOKOSA-N 1 0 384.977 2.754 20 0 GFADRO C[NH2+][C@@H]1CCCN(C(=O)N[C@@H](C)c2cc3c(cc2Br)OCCO3)C1 ZINC000417171357 563870080 /nfs/dbraw/zinc/87/00/80/563870080.db2.gz DUHVVRYZOLCLLW-NWDGAFQWSA-N 1 0 398.301 2.675 20 0 GFADRO C[NH+](C)Cc1ccsc1C(=O)NCc1nc2cc(Br)cnc2[nH]1 ZINC000446915826 563870647 /nfs/dbraw/zinc/87/06/47/563870647.db2.gz GUJVNLRQPNSKDR-UHFFFAOYSA-N 1 0 394.298 2.774 20 0 GFADRO C[C@H](NC(=O)N[C@@H]1C[NH2+]CC[C@H]1C)c1cc2c(cc1Br)OCCO2 ZINC000417185291 563871454 /nfs/dbraw/zinc/87/14/54/563871454.db2.gz UATJGISRKYARDV-UHIISALHSA-N 1 0 398.301 2.579 20 0 GFADRO C[NH2+][C@@H]1CCN(C(=O)NCC2(c3cccc(Br)c3)CCOCC2)C1 ZINC000417188737 563871913 /nfs/dbraw/zinc/87/19/13/563871913.db2.gz XTAGAZZYDVFOCM-MRXNPFEDSA-N 1 0 396.329 2.501 20 0 GFADRO COC[C@]1(CNC(=O)N[C@H](C)CCc2ccc(Br)cc2)CCC[NH2+]1 ZINC000417226059 563874371 /nfs/dbraw/zinc/87/43/71/563874371.db2.gz KEHVZEVUNFDHLU-RDTXWAMCSA-N 1 0 398.345 2.838 20 0 GFADRO Cc1sc(Br)cc1S(=O)(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000447154369 563875764 /nfs/dbraw/zinc/87/57/64/563875764.db2.gz SVSONLUZMYCJOD-LBPRGKRZSA-N 1 0 399.401 2.535 20 0 GFADRO OCCn1ncc2c1CCC[C@H]2[NH2+]Cc1cc(Br)cc2c1OCC2 ZINC000368644848 563876342 /nfs/dbraw/zinc/87/63/42/563876342.db2.gz YKDJUIKTNBNELR-MRXNPFEDSA-N 1 0 392.297 2.740 20 0 GFADRO [NH3+]CCN(CCO)C(=O)N[C@H](c1ccccc1)c1ccc(Br)cc1 ZINC000417302499 563877755 /nfs/dbraw/zinc/87/77/55/563877755.db2.gz WKSQXZRQGRDJDK-QGZVFWFLSA-N 1 0 392.297 2.501 20 0 GFADRO COc1cc(CNC(=O)N[C@H]2CCC[C@H]([NH3+])C2)cc(Br)c1OC ZINC000417361750 563878778 /nfs/dbraw/zinc/87/87/78/563878778.db2.gz AJVATCDSWGEOHX-RYUDHWBXSA-N 1 0 386.290 2.535 20 0 GFADRO COC[C@H](C)OC[C@@H](O)C[NH2+][C@H](C)c1ccc(Br)cc1OC ZINC000447270931 563879060 /nfs/dbraw/zinc/87/90/60/563879060.db2.gz KTFKYHAULDAQBQ-SCRDCRAPSA-N 1 0 376.291 2.521 20 0 GFADRO [NH3+][C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)CCC[S@@](=O)c1ccc(Br)cc1 ZINC000368808877 563879313 /nfs/dbraw/zinc/87/93/13/563879313.db2.gz CSUJYLXDQRWCNE-NTPMMSDOSA-N 1 0 399.354 2.818 20 0 GFADRO COC[C@@H](C)OC[C@@H](O)C[N@@H+]1CCCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000447297988 563879418 /nfs/dbraw/zinc/87/94/18/563879418.db2.gz ZZSYVOFVIKXHIQ-ZBFHGGJFSA-N 1 0 391.339 2.918 20 0 GFADRO COC[C@@H](C)OC[C@H](O)C[N@H+](C)CC1(c2ccc(Br)cc2)CC1 ZINC000447308931 563879789 /nfs/dbraw/zinc/87/97/89/563879789.db2.gz JARBCLPTMPUDDA-RHSMWYFYSA-N 1 0 386.330 2.825 20 0 GFADRO [NH3+]C[C@@H]1CCN(C(=O)NCc2cc(Br)ccc2OC(F)F)C1 ZINC000417414927 563879859 /nfs/dbraw/zinc/87/98/59/563879859.db2.gz WUTXHBGOCNJEEV-VIFPVBQESA-N 1 0 378.217 2.541 20 0 GFADRO CC(C)C[C@@H](C[NH3+])NC(=O)N[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000417480868 563881189 /nfs/dbraw/zinc/88/11/89/563881189.db2.gz MYHYTHOFYUVYAG-GJZGRUSLSA-N 1 0 383.334 2.700 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)C(=O)NCC[N@@H+]1CCCC(C)(C)C1 ZINC000447427572 563881837 /nfs/dbraw/zinc/88/18/37/563881837.db2.gz JPIVYMRPHZXSAG-UHFFFAOYSA-N 1 0 396.329 2.934 20 0 GFADRO Cc1ncsc1CN(C[C@@H]1CC[NH2+]C1)C(=O)CSCc1ccccn1 ZINC000447437919 563881871 /nfs/dbraw/zinc/88/18/71/563881871.db2.gz DCHMGKZEMGVZCR-OAHLLOKOSA-N 1 0 376.551 2.718 20 0 GFADRO CCOC1CC(O)(C[NH2+][C@@H](C)c2ccc(I)cc2)C1 ZINC000447562019 563882763 /nfs/dbraw/zinc/88/27/63/563882763.db2.gz ZKGDJYHUERZOSQ-QGLTVNCISA-N 1 0 375.250 2.872 20 0 GFADRO Cc1cc(Br)ccc1CNC(=O)N1CCC(OCCC[NH3+])CC1 ZINC000417578037 563883854 /nfs/dbraw/zinc/88/38/54/563883854.db2.gz KIYCOHQKGITKBW-UHFFFAOYSA-N 1 0 384.318 2.797 20 0 GFADRO CN(Cc1csc(Br)c1)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000369029494 563884718 /nfs/dbraw/zinc/88/47/18/563884718.db2.gz XQVCSFJNGLIVNO-QWHCGFSZSA-N 1 0 388.331 2.515 20 0 GFADRO O=C(N[C@@H]1CCN(c2ccccc2Br)C1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000417590807 563885692 /nfs/dbraw/zinc/88/56/92/563885692.db2.gz CCEYFVMPMDEFCF-UKRRQHHQSA-N 1 0 393.329 2.564 20 0 GFADRO CC[C@H](NC(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+])c1ccc(Cl)s1 ZINC000417645435 563886616 /nfs/dbraw/zinc/88/66/16/563886616.db2.gz HBKNOQUEABPGNS-OLZOCXBDSA-N 1 0 386.949 2.882 20 0 GFADRO CO[C@@H]1CCN(C(=O)NCC2(c3cccc(Br)c3)CC2)[C@@H](C[NH3+])C1 ZINC000417662247 563886723 /nfs/dbraw/zinc/88/67/23/563886723.db2.gz RIUIZXOYHXHYQB-HZPDHXFCSA-N 1 0 396.329 2.628 20 0 GFADRO COC[C@]1(CNC(=O)NCC2(c3cccc(Br)c3)CC2)CCC[NH2+]1 ZINC000417664248 563886942 /nfs/dbraw/zinc/88/69/42/563886942.db2.gz WGXUGCRMIGQNAB-GOSISDBHSA-N 1 0 396.329 2.549 20 0 GFADRO CCC[NH+]1CCC(CNS(=O)(=O)c2ccc(OC(F)F)c(F)c2)CC1 ZINC000447824373 563887063 /nfs/dbraw/zinc/88/70/63/563887063.db2.gz ZSWPCGZSIXAVNH-UHFFFAOYSA-N 1 0 380.432 2.827 20 0 GFADRO Cc1[nH]c(=S)sc1CC(=O)NC[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000369162463 563888022 /nfs/dbraw/zinc/88/80/22/563888022.db2.gz JNYOLSKIWMKLRD-OAHLLOKOSA-N 1 0 376.551 2.706 20 0 GFADRO [NH3+]C[C@@H]1CC[C@H](NC(=O)NCCOc2ncc(C(F)(F)F)cc2Cl)C1 ZINC000417732680 563888095 /nfs/dbraw/zinc/88/80/95/563888095.db2.gz HTSYRWWGMVIQJW-KOLCDFICSA-N 1 0 380.798 2.559 20 0 GFADRO CCC[NH+]1CCN(C2CCN(S(=O)(=O)c3ccccc3Cl)CC2)CC1 ZINC000369153126 563888134 /nfs/dbraw/zinc/88/81/34/563888134.db2.gz BRTCSZLKPKAYQF-UHFFFAOYSA-N 1 0 385.961 2.521 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H](NC(=O)NCCOc2ncc(C(F)(F)F)cc2Cl)C1 ZINC000417731043 563888186 /nfs/dbraw/zinc/88/81/86/563888186.db2.gz FEMONNUSVQFNTM-GHMZBOCLSA-N 1 0 380.798 2.702 20 0 GFADRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)NCCOc2ncc(C(F)(F)F)cc2Cl)C1 ZINC000417732682 563888202 /nfs/dbraw/zinc/88/82/02/563888202.db2.gz HTSYRWWGMVIQJW-MWLCHTKSSA-N 1 0 380.798 2.559 20 0 GFADRO C[C@H](CNC(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1)Oc1ccc(Br)cc1 ZINC000417769343 563888680 /nfs/dbraw/zinc/88/86/80/563888680.db2.gz DJSJNKOJMWMPFH-RDBSUJKOSA-N 1 0 384.318 2.904 20 0 GFADRO C[C@H](CNC(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1)Oc1ccccc1Br ZINC000417813874 563889912 /nfs/dbraw/zinc/88/99/12/563889912.db2.gz ALCFBXDWPWKARR-ORIJERBGSA-N 1 0 396.329 2.985 20 0 GFADRO C[C@@H](CNC(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2)Oc1ccccc1Br ZINC000417834323 563890232 /nfs/dbraw/zinc/89/02/32/563890232.db2.gz UWMLKUOLWRUNSY-MJBXVCDLSA-N 1 0 382.302 2.752 20 0 GFADRO C[C@H](NC(=O)NCC(C)(C)[NH3+])c1nc(-c2ccc(Br)cc2)no1 ZINC000417880336 563890435 /nfs/dbraw/zinc/89/04/35/563890435.db2.gz BVNGYHCTPNOCSY-VIFPVBQESA-N 1 0 382.262 2.597 20 0 GFADRO C[C@@H](CN1CCCC1=O)[NH2+]Cc1ccc(F)cc1I ZINC000417874354 563890568 /nfs/dbraw/zinc/89/05/68/563890568.db2.gz KIZNONKNAVDDDQ-JTQLQIEISA-N 1 0 376.213 2.531 20 0 GFADRO Cn1c(Cl)cnc1CN1CCC[N@H+](C[C@H](O)c2ccccc2Cl)CC1 ZINC000369281169 563890968 /nfs/dbraw/zinc/89/09/68/563890968.db2.gz BCXQNZDAELDVQY-INIZCTEOSA-N 1 0 383.323 2.968 20 0 GFADRO C[NH2+]C[C@@H](C)CNC(=O)N[C@@H](C)c1nc(-c2ccc(Br)cc2)no1 ZINC000417892921 563890943 /nfs/dbraw/zinc/89/09/43/563890943.db2.gz MHLAZWQGRDKLNW-MNOVXSKESA-N 1 0 396.289 2.715 20 0 GFADRO C[NH2+][C@@H]1CCN(C(=O)N[C@@H](C)c2nc(-c3ccc(Br)cc3)no2)C1 ZINC000417889861 563890985 /nfs/dbraw/zinc/89/09/85/563890985.db2.gz JYHWBYHJEYISLD-GXFFZTMASA-N 1 0 394.273 2.563 20 0 GFADRO C[C@@H](NC(=O)N1CCC[C@@H]1C[NH3+])c1nc(-c2ccc(Br)cc2)no1 ZINC000417901885 563891414 /nfs/dbraw/zinc/89/14/14/563891414.db2.gz WYWAWEPFCFYPOV-ZWNOBZJWSA-N 1 0 394.273 2.693 20 0 GFADRO O=C(NCCc1cc(Cl)ccc1Br)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000417920076 563891573 /nfs/dbraw/zinc/89/15/73/563891573.db2.gz ZQVOFVGYHAJBLZ-OLZOCXBDSA-N 1 0 386.721 2.896 20 0 GFADRO COC(=O)c1ccc(S(=O)(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)c(Cl)c1 ZINC000447946523 563892000 /nfs/dbraw/zinc/89/20/00/563892000.db2.gz VWNFLNPHZKZPKC-HNNXBMFYSA-N 1 0 388.917 2.525 20 0 GFADRO Brc1c(CNCc2cccnc2-n2cccn2)nc2ccccn12 ZINC000369317001 563892017 /nfs/dbraw/zinc/89/20/17/563892017.db2.gz IGIZZUCPRZRWAL-UHFFFAOYSA-N 1 0 383.253 2.967 20 0 GFADRO [NH3+][C@@H]1CCN(C(=O)NCCOc2ccc(Br)cc2C(F)(F)F)C1 ZINC000417951695 563892339 /nfs/dbraw/zinc/89/23/39/563892339.db2.gz LTMSHUPLZNAXDK-SNVBAGLBSA-N 1 0 396.207 2.589 20 0 GFADRO C[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C1 ZINC000369339238 563893110 /nfs/dbraw/zinc/89/31/10/563893110.db2.gz VIBOETTYIZHLEO-JSGCOSHPSA-N 1 0 384.307 2.756 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)NCCSCc2ccc(Cl)cc2Cl)CCCO1 ZINC000417987104 563893422 /nfs/dbraw/zinc/89/34/22/563893422.db2.gz QZASAJHCGDSUNV-AWEZNQCLSA-N 1 0 392.352 2.986 20 0 GFADRO O=C(NCCSCc1ccc(Cl)cc1Cl)NC[C@H]1C[NH2+]CCO1 ZINC000417993568 563894011 /nfs/dbraw/zinc/89/40/11/563894011.db2.gz XYEJGDQAXUYRBX-CYBMUJFWSA-N 1 0 378.325 2.514 20 0 GFADRO COc1cc(Br)ccc1CCCNC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000417998311 563894036 /nfs/dbraw/zinc/89/40/36/563894036.db2.gz HCBTVXGDWDAKCA-IYBDPMFKSA-N 1 0 396.329 2.926 20 0 GFADRO C[C@H]1[NH2+]CCN(C(=O)NCCc2c[nH]c3ccc(Br)cc23)[C@@H]1C ZINC000418006103 563894917 /nfs/dbraw/zinc/89/49/17/563894917.db2.gz PTFPJOCNERDXHM-VXGBXAGGSA-N 1 0 379.302 2.865 20 0 GFADRO Cc1cc(Br)cn2cc(CNC(=O)N3CCCC[C@@H]3[C@H](C)[NH3+])nc12 ZINC000418020724 563895388 /nfs/dbraw/zinc/89/53/88/563895388.db2.gz HBBGCWXEURUGQN-SWLSCSKDSA-N 1 0 394.317 2.817 20 0 GFADRO C[C@H]([NH3+])[C@H](C)NC(=O)NCc1cc(Br)ccc1Br ZINC000418032408 563896506 /nfs/dbraw/zinc/89/65/06/563896506.db2.gz BPEZJNHMCZXGLF-YUMQZZPRSA-N 1 0 379.096 2.747 20 0 GFADRO COCC1(CNC(=O)NCc2cc(Br)ccc2C)CC[NH2+]CC1 ZINC000418052167 563896821 /nfs/dbraw/zinc/89/68/21/563896821.db2.gz UMFHHMNHJPTWQT-UHFFFAOYSA-N 1 0 384.318 2.573 20 0 GFADRO CCn1c(CNC(=O)N2CC[NH2+][C@H](C)[C@@H]2C)nc2cc(Br)ccc21 ZINC000418064104 563897272 /nfs/dbraw/zinc/89/72/72/563897272.db2.gz IWQPEKLSZKSUCS-NEPJUHHUSA-N 1 0 394.317 2.711 20 0 GFADRO CCC([NH3+])(CC)CNC(=O)N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000418080714 563897762 /nfs/dbraw/zinc/89/77/62/563897762.db2.gz MVFKEQGDBHJDTA-CYBMUJFWSA-N 1 0 387.311 2.915 20 0 GFADRO C[C@@H]1CN(Cc2ccnc3c(Br)cccc23)[C@@H](C)C[N@@H+]1CCO ZINC000418109507 563898974 /nfs/dbraw/zinc/89/89/74/563898974.db2.gz IKYYNLKFGTYDGB-KGLIPLIRSA-N 1 0 378.314 2.884 20 0 GFADRO CCC([NH3+])(CC)CNC(=O)NCc1ccc(I)c(C)c1 ZINC000418140791 563900063 /nfs/dbraw/zinc/90/00/63/563900063.db2.gz KESXQGGDWIKCGL-UHFFFAOYSA-N 1 0 389.281 2.916 20 0 GFADRO C[NH2+]CCC1CCN(C(=O)NCc2ccc(Br)cc2OC)CC1 ZINC000418159550 563900304 /nfs/dbraw/zinc/90/03/04/563900304.db2.gz YZNXFXDCXAIDIT-UHFFFAOYSA-N 1 0 384.318 2.989 20 0 GFADRO C[NH2+]C[C@@H]1CCCN(C(=O)N[C@H]2CCOc3c(Br)cccc32)C1 ZINC000418166246 563900426 /nfs/dbraw/zinc/90/04/26/563900426.db2.gz UIMCKUBGZQLOHV-WFASDCNBSA-N 1 0 382.302 2.914 20 0 GFADRO O=C(NCc1cc(F)c(F)cc1Br)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000418180555 563900796 /nfs/dbraw/zinc/90/07/96/563900796.db2.gz KSSRAWJYUFNCAD-PHIMTYICSA-N 1 0 388.256 2.868 20 0 GFADRO C[NH+](C)C[C@@H]1CCCN1C(=O)c1ccc(I)cc1F ZINC000448882542 563902737 /nfs/dbraw/zinc/90/27/37/563902737.db2.gz OEYJSODTMMWRCL-NSHDSACASA-N 1 0 376.213 2.597 20 0 GFADRO C[NH+](C)C1CCN(C(=O)c2ccc(I)cc2F)CC1 ZINC000448943556 563903450 /nfs/dbraw/zinc/90/34/50/563903450.db2.gz XONMPGZSXUGZIY-UHFFFAOYSA-N 1 0 376.213 2.597 20 0 GFADRO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccccc1-n1cc(Br)cn1 ZINC000448983551 563904409 /nfs/dbraw/zinc/90/44/09/563904409.db2.gz IPFZDWBUXRYVFP-HIFRSBDPSA-N 1 0 389.297 2.944 20 0 GFADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[N@H+](CCOC)C1CC1 ZINC000449010708 563905014 /nfs/dbraw/zinc/90/50/14/563905014.db2.gz MVJPZQYFMUMELY-GFCCVEGCSA-N 1 0 385.302 2.573 20 0 GFADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[N@H+](C)CC1CCOCC1 ZINC000449027387 563905702 /nfs/dbraw/zinc/90/57/02/563905702.db2.gz LVTVVTVZZWYYPC-CYBMUJFWSA-N 1 0 399.329 2.821 20 0 GFADRO CCN(CCC[NH2+]Cc1cnc(CCc2ccccc2)s1)S(C)(=O)=O ZINC000449084543 563906453 /nfs/dbraw/zinc/90/64/53/563906453.db2.gz HVZJSBQSVKTFAS-UHFFFAOYSA-N 1 0 381.567 2.690 20 0 GFADRO CS(=O)(=O)N1CCC[C@H]([NH2+][C@@H]2CCc3c2ccc(F)c3Br)C1 ZINC000449098308 563906780 /nfs/dbraw/zinc/90/67/80/563906780.db2.gz IPHHKZUCPSQCJX-IINYFYTJSA-N 1 0 391.306 2.589 20 0 GFADRO CC[C@H]([NH2+][C@H]1CCc2c1ccc(F)c2Br)C(=O)N1CCOCC1 ZINC000449174766 563907770 /nfs/dbraw/zinc/90/77/70/563907770.db2.gz IMNQCEGSRIQZAG-GJZGRUSLSA-N 1 0 385.277 2.803 20 0 GFADRO CN(C)[C@@]1(C[NH2+]Cc2ccc(I)cc2)CCSC1 ZINC000449180274 563907801 /nfs/dbraw/zinc/90/78/01/563907801.db2.gz ZJHVFGKDCQFGQN-CQSZACIVSA-N 1 0 376.307 2.818 20 0 GFADRO O=C1[C@H]([NH2+][C@@H]2CCc3c2ccc(F)c3Br)CCN1C1CCOCC1 ZINC000449176990 563907923 /nfs/dbraw/zinc/90/79/23/563907923.db2.gz OBHRPJFHFORPIZ-HZPDHXFCSA-N 1 0 397.288 2.945 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]CC1(OC)CCC1 ZINC000449231378 563908107 /nfs/dbraw/zinc/90/81/07/563908107.db2.gz OSRARKFQKAZZAJ-LBPRGKRZSA-N 1 0 385.302 2.621 20 0 GFADRO O=C(CNC(=O)C[N@@H+]1CCCC2(CCC2)C1)Nc1ccccc1Br ZINC000470869412 564179165 /nfs/dbraw/zinc/17/91/65/564179165.db2.gz CJUXNCSEXUCZMB-UHFFFAOYSA-N 1 0 394.313 2.770 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[N@H+](C)[C@H]1CCCOC1 ZINC000449314745 564179660 /nfs/dbraw/zinc/17/96/60/564179660.db2.gz DYXOAKKMSARZIB-WFASDCNBSA-N 1 0 385.302 2.573 20 0 GFADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[N@H+](C)[C@@H]1CCCOC1 ZINC000449314743 564179760 /nfs/dbraw/zinc/17/97/60/564179760.db2.gz DYXOAKKMSARZIB-IUODEOHRSA-N 1 0 385.302 2.573 20 0 GFADRO C[NH+](C)C(C)(C)CNC(=O)C(=O)Nc1ccc(Br)c2ccccc12 ZINC000538073244 564181573 /nfs/dbraw/zinc/18/15/73/564181573.db2.gz POZHSWCYMUYWKF-UHFFFAOYSA-N 1 0 392.297 2.997 20 0 GFADRO CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]C[C@H](O)Cc1cccc(F)c1 ZINC000449363294 564181886 /nfs/dbraw/zinc/18/18/86/564181886.db2.gz PDKRWBBZVCVCSY-MRXNPFEDSA-N 1 0 385.888 2.966 20 0 GFADRO OCCC[N@@H+]1CCC[C@@H]1CNCc1cn(-c2cccc(Cl)c2Cl)nn1 ZINC000449386476 564182942 /nfs/dbraw/zinc/18/29/42/564182942.db2.gz INVYAWORKDJQRH-CQSZACIVSA-N 1 0 384.311 2.511 20 0 GFADRO CC[C@@H](CNS(C)(=O)=O)[NH2+]CC1=Cc2cc(Cl)cc(Cl)c2OC1 ZINC000449443095 564186916 /nfs/dbraw/zinc/18/69/16/564186916.db2.gz PFAPWRAMRKZLEW-ZDUSSCGKSA-N 1 0 379.309 2.687 20 0 GFADRO O=C([C@H]1CC(=O)Nc2ccc(Br)cc21)N1CC[NH+](C2CCC2)CC1 ZINC000563345167 564187485 /nfs/dbraw/zinc/18/74/85/564187485.db2.gz CZELGMJGGGDDNP-HNNXBMFYSA-N 1 0 392.297 2.572 20 0 GFADRO CC[C@](C)(C[NH2+]Cc1cc(Br)ccc1O[C@H](C)C(=O)NC)OC ZINC000449477061 564188019 /nfs/dbraw/zinc/18/80/19/564188019.db2.gz OIAHNZPCEMRQKO-SJKOYZFVSA-N 1 0 387.318 2.867 20 0 GFADRO CC(C)[C@@H]1C[N@H+](C)CCN1CC(=O)N[C@@H](C)c1ccc(Br)cc1 ZINC000471190255 564188063 /nfs/dbraw/zinc/18/80/63/564188063.db2.gz GTCFIOLYKOLDBC-YOEHRIQHSA-N 1 0 382.346 2.898 20 0 GFADRO C[C@@H](c1ccc(S(C)(=O)=O)cc1)N1CCC([NH2+]C[C@@H]2CCSC2)CC1 ZINC000449515617 564188783 /nfs/dbraw/zinc/18/87/83/564188783.db2.gz AIWJGPVSSFLDOG-HOTGVXAUSA-N 1 0 382.595 2.958 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(Cc3c(F)ccc(I)c3F)C[C@@H]21 ZINC000449520633 564190151 /nfs/dbraw/zinc/19/01/51/564190151.db2.gz GOQDHLNICRRTTA-RNCFNFMXSA-N 1 0 378.204 2.705 20 0 GFADRO COc1c(C[NH2+]C[C@@H](CO)Cc2ccc(C)c(Br)c2)c(C)nn1C ZINC000449599261 564191142 /nfs/dbraw/zinc/19/11/42/564191142.db2.gz KQPSMEARLIVEKG-HNNXBMFYSA-N 1 0 396.329 2.749 20 0 GFADRO O=C(Cc1cccc(I)c1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000471281740 564191419 /nfs/dbraw/zinc/19/14/19/564191419.db2.gz GVQHDBNLNLXRMD-INIZCTEOSA-N 1 0 398.288 2.921 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)Nc1ccnn1-c1ccc(Br)cn1 ZINC000563492119 564193043 /nfs/dbraw/zinc/19/30/43/564193043.db2.gz RQDFDLZJCHEALN-AAEUAGOBSA-N 1 0 393.289 2.763 20 0 GFADRO O=C(NCC[C@H]1CC[NH2+]C1)Nc1nnc(-c2cccc(Br)c2)s1 ZINC000563482561 564193054 /nfs/dbraw/zinc/19/30/54/564193054.db2.gz DLTSGVMUUJWTDD-SNVBAGLBSA-N 1 0 396.314 3.089 20 0 GFADRO CC[C@H](O)[C@H](CC)[NH2+]Cc1cc(Br)ccc1O[C@@H](C)C(=O)NC ZINC000449648180 564193722 /nfs/dbraw/zinc/19/37/22/564193722.db2.gz QHPJYJKAZJAELS-CQDKDKBSSA-N 1 0 387.318 2.602 20 0 GFADRO COC(=O)C(C)(C)CC[NH2+]C[C@@H](CO)Cc1ccc(F)c(Br)c1 ZINC000449683806 564196102 /nfs/dbraw/zinc/19/61/02/564196102.db2.gz OAFPBFKJIYPGDA-ZDUSSCGKSA-N 1 0 390.293 2.918 20 0 GFADRO CCOc1c(Br)cc(C[N@H+](CCO)[C@@H]2CCO[C@@H]2C)cc1OC ZINC000449678832 564196183 /nfs/dbraw/zinc/19/61/83/564196183.db2.gz QOLCZAHKQYFBAX-IUODEOHRSA-N 1 0 388.302 2.828 20 0 GFADRO COC(=O)c1ccc(C[NH2+]C[C@@H](CO)Cc2ccc(F)c(Br)c2)[nH]1 ZINC000449685834 564196602 /nfs/dbraw/zinc/19/66/02/564196602.db2.gz UGCNVCBCEPUXFN-LBPRGKRZSA-N 1 0 399.260 2.644 20 0 GFADRO C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]C[C@@H](CO)Cc1ccc(F)c(Br)c1 ZINC000449685107 564196791 /nfs/dbraw/zinc/19/67/91/564196791.db2.gz RJHLGGWNUUXNJG-IAISJRAMSA-N 1 0 385.321 2.812 20 0 GFADRO CC1(C)C[NH2+]CC[C@H]1NC(=O)[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000449700218 564196856 /nfs/dbraw/zinc/19/68/56/564196856.db2.gz SKWXMOSNTAFFPX-IUODEOHRSA-N 1 0 384.307 2.851 20 0 GFADRO CN(C)S(=O)(=O)N1CCCC[C@@H]1C[NH2+][C@@H]1CCCc2c(Cl)cccc21 ZINC000563567142 564197528 /nfs/dbraw/zinc/19/75/28/564197528.db2.gz ZCBKMRCQIKOUNE-RDTXWAMCSA-N 1 0 385.961 2.968 20 0 GFADRO Cc1c(C(=O)N[C@H]2CC[C@H](C[NH3+])C2)cnn1-c1ccc(Br)cc1 ZINC000449716069 564197703 /nfs/dbraw/zinc/19/77/03/564197703.db2.gz KFJOAOBZRCQBHQ-JSGCOSHPSA-N 1 0 377.286 2.800 20 0 GFADRO O=C1CC[C@@H]([NH+]2CCN(Cc3csc(-c4ccsc4)n3)CC2)CCN1 ZINC000449701276 564198097 /nfs/dbraw/zinc/19/80/97/564198097.db2.gz QUDZPQWTPWNSQZ-MRXNPFEDSA-N 1 0 376.551 2.658 20 0 GFADRO C[C@@H](NC(=O)C(=O)N1CC[C@]2(C1)CCC[NH2+]C2)c1ccc(Cl)cc1Cl ZINC000563611256 564199230 /nfs/dbraw/zinc/19/92/30/564199230.db2.gz SRDSCLRJRWHHRE-KZULUSFZSA-N 1 0 384.307 2.773 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1CCNC(=O)NCCCCn1cc(Br)cn1 ZINC000471606320 564199249 /nfs/dbraw/zinc/19/92/49/564199249.db2.gz RGIVABOWBXPFDZ-CQSZACIVSA-N 1 0 386.338 2.599 20 0 GFADRO CC[C@@H](Cc1ccccc1Br)NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC000563637530 564199967 /nfs/dbraw/zinc/19/99/67/564199967.db2.gz QDKOAROIJJSFJH-HNNXBMFYSA-N 1 0 393.329 2.958 20 0 GFADRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2c(Br)cnn2C)C1 ZINC000449808389 564202775 /nfs/dbraw/zinc/20/27/75/564202775.db2.gz ZFCVHOMXLBOOFG-OCCSQVGLSA-N 1 0 377.286 2.748 20 0 GFADRO CS[C@@H](C)CNC(=O)NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000506467122 564203234 /nfs/dbraw/zinc/20/32/34/564203234.db2.gz DYFOBVOJRKEBKI-HNNXBMFYSA-N 1 0 384.977 2.903 20 0 GFADRO CC[N@H+](CCOC)Cc1cc(I)c(OC)c(OC)c1 ZINC000506467282 564203325 /nfs/dbraw/zinc/20/33/25/564203325.db2.gz RMBFOPYNPFWAMF-UHFFFAOYSA-N 1 0 379.238 2.777 20 0 GFADRO C[C@@H](CNC(=O)[C@@H]1Cc2cc(Br)ccc2O1)[NH+]1CCC(C)CC1 ZINC000471873762 564206075 /nfs/dbraw/zinc/20/60/75/564206075.db2.gz DVTKEUPEEASLLU-GUYCJALGSA-N 1 0 381.314 2.989 20 0 GFADRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)c1ccc(I)cc1F ZINC000449871078 564206973 /nfs/dbraw/zinc/20/69/73/564206973.db2.gz SARPSSUNYAULDU-LLVKDONJSA-N 1 0 390.240 2.844 20 0 GFADRO C[C@@H](C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1ccc(Cl)c(Cl)c1 ZINC000471991644 564210093 /nfs/dbraw/zinc/21/00/93/564210093.db2.gz JTGBUYHEZRUNHA-TZMCWYRMSA-N 1 0 386.323 2.801 20 0 GFADRO O=C(CCc1cccc(F)c1Br)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000449947683 564210730 /nfs/dbraw/zinc/21/07/30/564210730.db2.gz IKDITMCFKGYVSS-AWEZNQCLSA-N 1 0 399.304 2.702 20 0 GFADRO O=C([C@@H]1Cc2cc(Br)ccc2O1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000472102225 564212876 /nfs/dbraw/zinc/21/28/76/564212876.db2.gz PGSDWNCCLOZSJQ-WBVHZDCISA-N 1 0 379.298 2.839 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1ccc(I)cc1F ZINC000450018845 564213253 /nfs/dbraw/zinc/21/32/53/564213253.db2.gz AQDDUQGJPQGXMZ-LBPRGKRZSA-N 1 0 390.240 2.987 20 0 GFADRO O=C(NC[C@H]1C[NH2+]CCCO1)N[C@H](c1ccc(Br)cc1)C1CCC1 ZINC000563944897 564213357 /nfs/dbraw/zinc/21/33/57/564213357.db2.gz DLMNMVQPNBUXMF-SJORKVTESA-N 1 0 396.329 2.968 20 0 GFADRO CC[C@H]1CN(C(=O)Cc2ccc(C)cc2Br)CC[N@@H+]1C[C@@H](C)O ZINC000450027088 564213815 /nfs/dbraw/zinc/21/38/15/564213815.db2.gz NUCLPWOXSNFZBC-ZBFHGGJFSA-N 1 0 383.330 2.604 20 0 GFADRO O=S1(=O)CCCN1CC[NH2+][C@H](c1ccc(Br)cc1)C1CCC1 ZINC000539280213 564215484 /nfs/dbraw/zinc/21/54/84/564215484.db2.gz XHSBVRNYVQXYDN-INIZCTEOSA-N 1 0 387.343 2.915 20 0 GFADRO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)C(=O)NCc1c(Cl)cccc1Cl ZINC000563979108 564215989 /nfs/dbraw/zinc/21/59/89/564215989.db2.gz AELNDUDZZDNYRO-STQMWFEESA-N 1 0 386.323 2.989 20 0 GFADRO Cc1cc(Br)cc(C)c1S(=O)(=O)N1CCC([NH+](C)C)CC1 ZINC000507040897 564217022 /nfs/dbraw/zinc/21/70/22/564217022.db2.gz RMRCGKBJTQHRKB-UHFFFAOYSA-N 1 0 375.332 2.781 20 0 GFADRO CS[C@H]1CN(C(=O)c2csc(Cc3cccc(F)c3)n2)C[C@H]1[NH+](C)C ZINC000507084748 564217840 /nfs/dbraw/zinc/21/78/40/564217840.db2.gz KSHPYTHMNGSQBT-CVEARBPZSA-N 1 0 379.526 2.991 20 0 GFADRO Cc1ccc(C(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)c(Cl)c1Cl ZINC000450149533 564218914 /nfs/dbraw/zinc/21/89/14/564218914.db2.gz SVVGHHLLCONSII-CQSZACIVSA-N 1 0 384.307 2.680 20 0 GFADRO CC(C)(C)[NH+]1CCC(NC(=O)C(=O)NCc2c(Cl)cccc2Cl)CC1 ZINC000564106841 564220400 /nfs/dbraw/zinc/22/04/00/564220400.db2.gz FJTCZCMCDXSIMX-UHFFFAOYSA-N 1 0 386.323 2.989 20 0 GFADRO COc1ccc(Br)cc1[C@H]1CCC[N@@H+]1CCC(=O)N1CCOCC1 ZINC000507202010 564221840 /nfs/dbraw/zinc/22/18/40/564221840.db2.gz GXHCQCQMQQYCJD-MRXNPFEDSA-N 1 0 397.313 2.844 20 0 GFADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNS(=O)(=O)c2ccc(C(F)(F)F)cn2)C1 ZINC000472574965 564227301 /nfs/dbraw/zinc/22/73/01/564227301.db2.gz SNZPECVJXBPCKR-BETUJISGSA-N 1 0 379.448 2.747 20 0 GFADRO COc1ccc(S(=O)(=O)N2CCC([NH2+]CC3CCSCC3)CC2)cc1 ZINC000539812966 564228751 /nfs/dbraw/zinc/22/87/51/564228751.db2.gz VHDDMPLTYRURHI-UHFFFAOYSA-N 1 0 384.567 2.581 20 0 GFADRO C[C@H]1CC[C@@H]([N@H+](CCO)CC(=O)N(C)Cc2ccccc2Br)C1 ZINC000564390291 564231655 /nfs/dbraw/zinc/23/16/55/564231655.db2.gz LFSZKVOSLQUTGD-GOEBONIOSA-N 1 0 383.330 2.890 20 0 GFADRO Cc1cc(OC[C@@H](O)C[NH2+][C@@H]2CCCS(=O)(=O)C2)c(C(C)C)cc1Cl ZINC000564445009 564234888 /nfs/dbraw/zinc/23/48/88/564234888.db2.gz ZBSSXXZWYSKDFW-CABCVRRESA-N 1 0 389.945 2.678 20 0 GFADRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)C(=O)Nc1cc(Br)ccc1F ZINC000507633132 564235925 /nfs/dbraw/zinc/23/59/25/564235925.db2.gz RWBUFQBPVWAQSK-DGCLKSJQSA-N 1 0 398.276 2.612 20 0 GFADRO CN(C)CC[N@H+](C)CCCNC(=O)c1c[nH]c2cccc(Br)c12 ZINC000564536965 564237447 /nfs/dbraw/zinc/23/74/47/564237447.db2.gz ZNYSYDLNHLRXCY-UHFFFAOYSA-N 1 0 381.318 2.544 20 0 GFADRO Cc1ccc(Br)c(NC(=O)C(=O)N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)c1 ZINC000507656047 564237961 /nfs/dbraw/zinc/23/79/61/564237961.db2.gz QGQHUGAOVLBBKU-KGLIPLIRSA-N 1 0 394.313 2.781 20 0 GFADRO COC(=O)c1cc(Br)c(F)cc1NC(=O)N1CCC[C@H](C[NH3+])C1 ZINC000564548895 564238654 /nfs/dbraw/zinc/23/86/54/564238654.db2.gz MAZVMWKRRQQUMY-SECBINFHSA-N 1 0 388.237 2.577 20 0 GFADRO CC[NH+](CC)CC(=O)N1CCN(Cc2ccc(Br)cc2F)CC1 ZINC000507698970 564240272 /nfs/dbraw/zinc/24/02/72/564240272.db2.gz HLDSRAFJGSCMPR-UHFFFAOYSA-N 1 0 386.309 2.574 20 0 GFADRO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CC[C@@H](C)[S@](C)=O ZINC000540157844 564240880 /nfs/dbraw/zinc/24/08/80/564240880.db2.gz PZENJRJVALSVSL-ZSMADZGOSA-N 1 0 375.332 2.913 20 0 GFADRO O=C(NC[C@H]1CCCC[N@@H+]1C1CC1)[C@H]1Cc2cc(Br)ccc2O1 ZINC000473240800 564241597 /nfs/dbraw/zinc/24/15/97/564241597.db2.gz XFOFHRSAQRMMQY-NVXWUHKLSA-N 1 0 379.298 2.886 20 0 GFADRO CS(=O)(=O)c1cccc(Cl)c1C[NH2+][C@H]1CCC[C@H](N2CCCC2=O)C1 ZINC000564665543 564244506 /nfs/dbraw/zinc/24/45/06/564244506.db2.gz BOUHXYXOMNHURE-KBPBESRZSA-N 1 0 384.929 2.767 20 0 GFADRO O=C([C@@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1)N1CC[NH+]2CCC1CC2 ZINC000507854919 564245412 /nfs/dbraw/zinc/24/54/12/564245412.db2.gz ISTZJPWGZZVOFE-GFCCVEGCSA-N 1 0 382.291 2.653 20 0 GFADRO COc1ccc(NC(=O)N[C@@H](C)CC[NH+]2CCN(C)CC2)cc1Br ZINC000473684726 564252586 /nfs/dbraw/zinc/25/25/86/564252586.db2.gz WUHJDWDLECQNCR-ZDUSSCGKSA-N 1 0 399.333 2.605 20 0 GFADRO CC[C@@H]([NH2+]CCNC(=O)c1cnccn1)c1cc(F)cc(Br)c1 ZINC000540596787 564252566 /nfs/dbraw/zinc/25/25/66/564252566.db2.gz ZYJKPQWSOCSDBA-CQSZACIVSA-N 1 0 381.249 2.849 20 0 GFADRO CO[C@H](CC[NH2+]C[C@H](O)COc1cccc(Br)c1)C(F)(F)F ZINC000564863001 564253659 /nfs/dbraw/zinc/25/36/59/564253659.db2.gz DYPKPSVWMATLQU-WCQYABFASA-N 1 0 386.208 2.746 20 0 GFADRO O[C@H](C[NH2+]CCC[C@@H]1CCOC1)COc1cc(F)cc(Br)c1 ZINC000564859614 564253704 /nfs/dbraw/zinc/25/37/04/564253704.db2.gz HLWAIEWQWIWMQE-IUODEOHRSA-N 1 0 376.266 2.734 20 0 GFADRO O=S1(=O)CCO[C@H](C[NH2+][C@@H]2CCC[C@H]2c2ccc(C(F)(F)F)cc2)C1 ZINC000540705989 564255024 /nfs/dbraw/zinc/25/50/24/564255024.db2.gz ABUZJZODUFWGTB-OWCLPIDISA-N 1 0 377.428 2.745 20 0 GFADRO O=S1(=O)CC[C@@]2(C1)C[C@@H]([NH2+]Cc1csc(-c3ccccc3)n1)CCO2 ZINC000540687249 564255119 /nfs/dbraw/zinc/25/51/19/564255119.db2.gz GXDQJYRQRGKEFC-YJBOKZPZSA-N 1 0 378.519 2.636 20 0 GFADRO C[NH+](C)CCOC1CCN(S(=O)(=O)c2ccc(Cl)c(F)c2Cl)CC1 ZINC000473857377 564255327 /nfs/dbraw/zinc/25/53/27/564255327.db2.gz YIRIEGHYZPVYME-UHFFFAOYSA-N 1 0 399.315 2.864 20 0 GFADRO Cc1ccc(CC(=O)N2CCC([N@@H+](C)C[C@@H](C)O)CC2)c(Br)c1 ZINC000450959685 564256961 /nfs/dbraw/zinc/25/69/61/564256961.db2.gz LFSNOUONWBITNX-CQSZACIVSA-N 1 0 383.330 2.604 20 0 GFADRO COC(=O)c1ccc(S(=O)(=O)N[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)cc1Cl ZINC000473952204 564259877 /nfs/dbraw/zinc/25/98/77/564259877.db2.gz QASXHXKUSLSVJN-STQMWFEESA-N 1 0 388.917 2.525 20 0 GFADRO Cc1cc(Br)c(S(=O)(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)s1 ZINC000564967074 564260023 /nfs/dbraw/zinc/26/00/23/564260023.db2.gz RQEKZCMAPAGSPJ-XYPYZODXSA-N 1 0 381.361 2.862 20 0 GFADRO O=C(NCC1CC[NH+](Cc2cccs2)CC1)N[C@@H](CO)CC(F)(F)F ZINC000540903924 564260577 /nfs/dbraw/zinc/26/05/77/564260577.db2.gz KRBSJRNQMHAQPE-CYBMUJFWSA-N 1 0 379.448 2.573 20 0 GFADRO O=C(CC[NH2+]C[C@H](CO)c1cccnc1)Nc1ccc(Br)cc1 ZINC000564975022 564261383 /nfs/dbraw/zinc/26/13/83/564261383.db2.gz JAPHSKCXQPWLMJ-CQSZACIVSA-N 1 0 378.270 2.538 20 0 GFADRO OC[C@@H]([NH2+]C[C@H](O)COCc1cccs1)c1ccc(C(F)(F)F)cc1 ZINC000541022785 564263096 /nfs/dbraw/zinc/26/30/96/564263096.db2.gz FUPDTTNULGAECX-GOEBONIOSA-N 1 0 375.412 2.968 20 0 GFADRO CC(C)[NH+]1CCN(c2nnc(-c3ccc(F)cc3Br)n2C)CC1 ZINC000508444040 564263241 /nfs/dbraw/zinc/26/32/41/564263241.db2.gz FYKMOGLKULHUJP-UHFFFAOYSA-N 1 0 382.281 2.914 20 0 GFADRO Cc1c(Br)cccc1S(=O)(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000474064910 564263445 /nfs/dbraw/zinc/26/34/45/564263445.db2.gz YBHHXWDNRAVSMD-LBPRGKRZSA-N 1 0 375.332 2.768 20 0 GFADRO CC[NH+](CC)CCN(C(=O)[C@@H](OC)C1CC1)c1ccc(Br)cn1 ZINC000565048668 564263839 /nfs/dbraw/zinc/26/38/39/564263839.db2.gz QIEKYXVPMQFSOE-INIZCTEOSA-N 1 0 384.318 2.944 20 0 GFADRO CC(C)[NH2+]C1(CO)CCN([C@@H](C)C(=O)Nc2ccccc2Br)CC1 ZINC000565163180 564268911 /nfs/dbraw/zinc/26/89/11/564268911.db2.gz JZWXSPSPYRQHOR-AWEZNQCLSA-N 1 0 398.345 2.601 20 0 GFADRO Cc1cc(C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)c(Br)s1 ZINC000474205168 564269333 /nfs/dbraw/zinc/26/93/33/564269333.db2.gz IXMOFTBUXOZKLG-JTQLQIEISA-N 1 0 375.332 2.736 20 0 GFADRO C[NH+](C)C1(CNC(=O)NCCOc2ncc(Cl)cc2Cl)CCCC1 ZINC000474252986 564271473 /nfs/dbraw/zinc/27/14/73/564271473.db2.gz RWGXTHDJZYSMMI-UHFFFAOYSA-N 1 0 375.300 2.941 20 0 GFADRO C[C@H](CO)[N@@H+]1CCCN(C(=O)c2cc(Cl)c(F)cc2Br)CC1 ZINC000451085927 564271758 /nfs/dbraw/zinc/27/17/58/564271758.db2.gz LWTRYPCEOYOOSY-SNVBAGLBSA-N 1 0 393.684 2.770 20 0 GFADRO C[C@H](C[NH+]1CCCCC1)NC(=O)NCCOc1ncc(Cl)cc1Cl ZINC000474259442 564272339 /nfs/dbraw/zinc/27/23/39/564272339.db2.gz VHGMVMQRJMCZMF-GFCCVEGCSA-N 1 0 375.300 2.941 20 0 GFADRO COc1cccc(Sc2ccccc2C[NH2+]CCCNS(C)(=O)=O)c1 ZINC000451098007 564273775 /nfs/dbraw/zinc/27/37/75/564273775.db2.gz VCIZJCXHMFFCRA-UHFFFAOYSA-N 1 0 380.535 2.875 20 0 GFADRO COCCC[NH+]1CCC(NC(=O)c2cn3cc(Cl)cc(Cl)c3n2)CC1 ZINC000508986907 564277837 /nfs/dbraw/zinc/27/78/37/564277837.db2.gz WDZJLQSPMDGNPM-UHFFFAOYSA-N 1 0 385.295 2.872 20 0 GFADRO COCCN(C)C[C@H](O)C[NH2+][C@@H](c1ccc(Br)cc1)C1CCC1 ZINC000565370281 564278348 /nfs/dbraw/zinc/27/83/48/564278348.db2.gz PFRSRKXGSBAERB-QZTJIDSGSA-N 1 0 385.346 2.819 20 0 GFADRO CN(Cc1cc2c(cc1Br)OCCCO2)[C@H]1CCN2CCO[C@H]1C2 ZINC000451135597 564279229 /nfs/dbraw/zinc/27/92/29/564279229.db2.gz CEDRUHQXPXVQOC-YJBOKZPZSA-N 1 0 397.313 2.515 20 0 GFADRO CC(C)C(=O)NCC[NH2+][C@H](C)CCc1ccc(I)cc1 ZINC000474475560 564279710 /nfs/dbraw/zinc/27/97/10/564279710.db2.gz UPGUXVITRMHKQM-CYBMUJFWSA-N 1 0 388.293 2.974 20 0 GFADRO C[C@@H](CCc1ccc(I)cc1)[NH2+][C@H]1CCCCNC1=O ZINC000474467369 564279915 /nfs/dbraw/zinc/27/99/15/564279915.db2.gz DSLSLJMJHMWZIS-WFASDCNBSA-N 1 0 386.277 2.871 20 0 GFADRO [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)c1cn(-c2ccc(Br)cc2)cn1 ZINC000565538926 564285475 /nfs/dbraw/zinc/28/54/75/564285475.db2.gz OCVWIEBOQBIPHO-ZKHDCCDFSA-N 1 0 389.297 2.881 20 0 GFADRO COc1cc(C[NH2+][C@](C)(CO)C(C)C)cc(I)c1OC ZINC000565543236 564285532 /nfs/dbraw/zinc/28/55/32/564285532.db2.gz GFDMXBFXTBJGIB-OAHLLOKOSA-N 1 0 393.265 2.805 20 0 GFADRO O=C1CCCN1CC[N@H+]1CC[C@H](Cc2cccc(I)c2)C1 ZINC000451189663 564285580 /nfs/dbraw/zinc/28/55/80/564285580.db2.gz JICNWUKNCUZIKU-OAHLLOKOSA-N 1 0 398.288 2.778 20 0 GFADRO COCC[NH2+]C1CCN(C(=O)N[C@H](C)Cc2ccccc2Br)CC1 ZINC000565657198 564289900 /nfs/dbraw/zinc/28/99/00/564289900.db2.gz DBRIGKMDWUELBM-CQSZACIVSA-N 1 0 398.345 2.790 20 0 GFADRO COC(=O)c1cc(Cl)c(C)c(S(=O)(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000451242726 564289990 /nfs/dbraw/zinc/28/99/90/564289990.db2.gz OCUWHOKITNGHII-BXUZGUMPSA-N 1 0 388.917 2.538 20 0 GFADRO CCOC[C@H](O)C[NH2+][C@H](C)CCc1ccc(I)cc1 ZINC000474812035 564290581 /nfs/dbraw/zinc/29/05/81/564290581.db2.gz UGDRYJGSFOJREY-IUODEOHRSA-N 1 0 377.266 2.599 20 0 GFADRO CC[NH+](CC)CCO[C@H]1CCN(S(=O)(=O)C[C@@H]2CCCCC2(F)F)C1 ZINC000451266828 564292687 /nfs/dbraw/zinc/29/26/87/564292687.db2.gz HDBHHLYFVQVSJS-HOTGVXAUSA-N 1 0 382.517 2.574 20 0 GFADRO Cc1ccccc1[C@@H]([C@H](C)NC(=O)c1c(Br)cnn1C)[NH+](C)C ZINC000451262544 564293148 /nfs/dbraw/zinc/29/31/48/564293148.db2.gz GSWAHSUKYJBZDN-SWLSCSKDSA-N 1 0 379.302 2.912 20 0 GFADRO COC(=O)C[C@@H]1CC[C@H]([NH2+]CC(=O)Nc2cccc(Br)c2)[C@@H]1C ZINC000474944497 564294428 /nfs/dbraw/zinc/29/44/28/564294428.db2.gz PKYSOAFHSJATJX-XUJVJEKNSA-N 1 0 383.286 2.955 20 0 GFADRO O[C@@H]1C[C@@H]([C@H]2CCCOC2)[N@H+](Cc2nc3cc(Br)ccc3[nH]2)C1 ZINC000451309473 564298790 /nfs/dbraw/zinc/29/87/90/564298790.db2.gz WTEUPONDFJUDCL-GHJWDPDVSA-N 1 0 380.286 2.687 20 0 GFADRO COc1cc(Br)ccc1C[NH2+]CCc1nnnn1-c1ccccc1 ZINC000509440273 564299477 /nfs/dbraw/zinc/29/94/77/564299477.db2.gz RLHWQCNYLPJERT-UHFFFAOYSA-N 1 0 388.269 2.766 20 0 GFADRO O=C(N[C@@H]1CCOc2c(Br)cccc21)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000565881926 564300890 /nfs/dbraw/zinc/30/08/90/564300890.db2.gz RZWMMVFCECYXHL-SLEUVZQESA-N 1 0 380.286 2.524 20 0 GFADRO Cc1ccc(C[N@H+](CCO)C[C@H](O)COc2cccc(Br)c2)cc1 ZINC000542135740 564302216 /nfs/dbraw/zinc/30/22/16/564302216.db2.gz XGTNNFOJFQSVAF-SFHVURJKSA-N 1 0 394.309 2.992 20 0 GFADRO CC(C)n1ccc(C[C@@H](C)[NH2+]CCNS(=O)(=O)c2ccc(Cl)s2)n1 ZINC000542145794 564302451 /nfs/dbraw/zinc/30/24/51/564302451.db2.gz GVSFSAXCPNJPKY-GFCCVEGCSA-N 1 0 390.962 2.678 20 0 GFADRO Cc1ncsc1CCS(=O)(=O)NC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000451348349 564303926 /nfs/dbraw/zinc/30/39/26/564303926.db2.gz WYVQVXIRFRPOBW-UHFFFAOYSA-N 1 0 381.567 2.824 20 0 GFADRO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC[C@H](O)COc1cccc(Cl)c1Cl ZINC000475344633 564305440 /nfs/dbraw/zinc/30/54/40/564305440.db2.gz XLKZAUVPULCWCS-UPJWGTAASA-N 1 0 375.296 2.722 20 0 GFADRO COc1cc(C[NH2+]CC2(S(C)(=O)=O)CCC2)ccc1OCC(F)(F)F ZINC000475426106 564308014 /nfs/dbraw/zinc/30/80/14/564308014.db2.gz VYMVBXICMHVZSQ-UHFFFAOYSA-N 1 0 381.416 2.693 20 0 GFADRO C[C@@H](c1ccccc1Br)N(C)C(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000566095303 564309473 /nfs/dbraw/zinc/30/94/73/564309473.db2.gz VYEICWCDDAPEMT-QWHCGFSZSA-N 1 0 392.301 2.798 20 0 GFADRO Cc1cccc(NC(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)[C@H]2C)c1Br ZINC000509794328 564313661 /nfs/dbraw/zinc/31/36/61/564313661.db2.gz UIAIPRSCRUVBML-HIFRSBDPSA-N 1 0 394.313 2.781 20 0 GFADRO Cc1cccc(NC(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)[C@@H]2C)c1Br ZINC000509794330 564313877 /nfs/dbraw/zinc/31/38/77/564313877.db2.gz UIAIPRSCRUVBML-ZFWWWQNUSA-N 1 0 394.313 2.781 20 0 GFADRO C[C@@H]1[C@@H](O)CCC[N@@H+]1C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000451451961 564315192 /nfs/dbraw/zinc/31/51/92/564315192.db2.gz DNUMIAWMHTZKGE-QKCSRTOESA-N 1 0 378.694 2.687 20 0 GFADRO O=S(=O)(c1cc(C(F)(F)F)ccc1F)N1CCC2(CC[NH2+]CC2)CC1 ZINC000566216490 564316826 /nfs/dbraw/zinc/31/68/26/564316826.db2.gz CBPHMZRXCDCDFJ-UHFFFAOYSA-N 1 0 380.407 2.999 20 0 GFADRO O=S(=O)(NCC1CC[NH2+]CC1)c1ccc2ccccc2c1Br ZINC000566215286 564316993 /nfs/dbraw/zinc/31/69/93/564316993.db2.gz HGRLHNXYEHETJC-UHFFFAOYSA-N 1 0 383.311 2.880 20 0 GFADRO C[C@](O)(C[NH2+]C[C@@H](CO)Cc1ccc(F)c(Br)c1)C(F)(F)F ZINC000566232383 564318215 /nfs/dbraw/zinc/31/82/15/564318215.db2.gz NSFIZIIQXFLHDT-GWCFXTLKSA-N 1 0 388.199 2.642 20 0 GFADRO CC[C@@H]1[NH2+]CC[C@H]1C(=O)NC1(c2ccc(Br)cc2)CCOCC1 ZINC000566246681 564319001 /nfs/dbraw/zinc/31/90/01/564319001.db2.gz JTDQDTQEAUQPGV-CVEARBPZSA-N 1 0 381.314 2.959 20 0 GFADRO CO[C@@H]1CC[N@H+](CC(=O)N(C)CCOc2ccc(Br)cc2)C[C@@H]1C ZINC000451550659 564324566 /nfs/dbraw/zinc/32/45/66/564324566.db2.gz VKHBWFORRPMFTL-WMLDXEAASA-N 1 0 399.329 2.643 20 0 GFADRO O=S1(=O)CCO[C@H](C[NH2+][C@@H]2CCC[C@@H]2c2cccc(C(F)(F)F)c2)C1 ZINC000566351967 564324752 /nfs/dbraw/zinc/32/47/52/564324752.db2.gz NULQGCVUUFJDDJ-BZUAXINKSA-N 1 0 377.428 2.745 20 0 GFADRO CC[NH+](CC)CCOCCNS(=O)(=O)Cc1cc(Cl)cc(Cl)c1 ZINC000542760407 564324937 /nfs/dbraw/zinc/32/49/37/564324937.db2.gz LNFHWAGSXPXEPO-UHFFFAOYSA-N 1 0 383.341 2.771 20 0 GFADRO C[C@H](C[NH+]1CCOCC1)C(=O)N(CCCO)Cc1ccc(Cl)c(Cl)c1 ZINC000542760358 564325002 /nfs/dbraw/zinc/32/50/02/564325002.db2.gz KLNYLXOGWKDXNA-CQSZACIVSA-N 1 0 389.323 2.673 20 0 GFADRO C[C@H](C(=O)NC[C@H]1CCCO1)N1CC[C@@H](c2cccc(Br)c2)C1 ZINC000451570305 564326608 /nfs/dbraw/zinc/32/66/08/564326608.db2.gz POSLIBKUPPJCJI-FRFSOERESA-N 1 0 381.314 2.922 20 0 GFADRO CN1CC[NH+](CCCCNC(=O)c2cccc(Br)c2Cl)CC1 ZINC000542802741 564326968 /nfs/dbraw/zinc/32/69/68/564326968.db2.gz ISDWMGSPCSNFLO-UHFFFAOYSA-N 1 0 388.737 2.860 20 0 GFADRO CCOC(=O)CCCNC(=O)CN1CC[C@H](c2cccc(Br)c2)C1 ZINC000451575980 564327929 /nfs/dbraw/zinc/32/79/29/564327929.db2.gz ZBZGFASRXUZOJD-HNNXBMFYSA-N 1 0 397.313 2.698 20 0 GFADRO CSC[C@H]([NH2+]CC1(C(N)=O)CCOCC1)c1ccc(C(F)(F)F)cc1 ZINC000542844627 564328887 /nfs/dbraw/zinc/32/88/87/564328887.db2.gz VNANPPWMKWKOGD-AWEZNQCLSA-N 1 0 376.444 2.981 20 0 GFADRO COC(=O)[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](O)COc1ccc(Br)cc1 ZINC000451604369 564330159 /nfs/dbraw/zinc/33/01/59/564330159.db2.gz YPYSAMFUXYFKJK-IMJJTQAJSA-N 1 0 386.286 2.510 20 0 GFADRO O=C(Nc1ccn(-c2ccc(Cl)cc2Cl)n1)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000566608564 564334643 /nfs/dbraw/zinc/33/46/43/564334643.db2.gz UKOYZJXRXIDHHA-NEPJUHHUSA-N 1 0 380.279 3.252 20 0 GFADRO C[C@H]([NH2+]CC(=O)N1CCC[C@@H](C(F)(F)F)C1)c1ccc([S@](C)=O)cc1 ZINC000542977973 564334724 /nfs/dbraw/zinc/33/47/24/564334724.db2.gz SWIPXJFALCBDRS-YSDYUQAISA-N 1 0 376.444 2.876 20 0 GFADRO [NH3+]C1CCC(OCC(=O)Nc2ccc(I)cc2F)CC1 ZINC000566630829 564335506 /nfs/dbraw/zinc/33/55/06/564335506.db2.gz FXOMPNMTGUIXHB-UHFFFAOYSA-N 1 0 392.212 2.655 20 0 GFADRO O=C(N[C@@H]1CCSc2ccc(Cl)cc21)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000566617800 564335630 /nfs/dbraw/zinc/33/56/30/564335630.db2.gz UKDCONQSMTUTLX-TZMCWYRMSA-N 1 0 377.901 2.650 20 0 GFADRO CCC[N@H+](CCCNS(=O)(=O)CC)Cc1ccccc1Br ZINC000510496224 564335830 /nfs/dbraw/zinc/33/58/30/564335830.db2.gz MNUKJFBEAMPYFY-UHFFFAOYSA-N 1 0 377.348 2.991 20 0 GFADRO C[C@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)cn2)CC[N@@H+](C2CCC2)C1 ZINC000566654891 564336318 /nfs/dbraw/zinc/33/63/18/564336318.db2.gz JYRUWJIAKHXSAJ-GFCCVEGCSA-N 1 0 377.432 2.595 20 0 GFADRO C[C@H](NC(=O)NCc1cn2cc(Br)ccc2n1)C1=CC[N@H+](C)CC1 ZINC000510572184 564339588 /nfs/dbraw/zinc/33/95/88/564339588.db2.gz KGZDRJRGLYLBEO-LBPRGKRZSA-N 1 0 392.301 2.546 20 0 GFADRO CS(=O)(=O)N[C@H]1CCCC[C@@H]1[NH2+]CCOc1ccc(C(F)(F)F)cc1 ZINC000510776674 564346926 /nfs/dbraw/zinc/34/69/26/564346926.db2.gz IFQZTJMDVYEDCU-GJZGRUSLSA-N 1 0 380.432 2.534 20 0 GFADRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1Cc1nc2cc(Br)ccc2o1 ZINC000510813103 564347854 /nfs/dbraw/zinc/34/78/54/564347854.db2.gz QHKJFIZXCWPKAL-GFCCVEGCSA-N 1 0 382.302 2.867 20 0 GFADRO COCCN1CC[C@@H]([NH2+]C[C@H]2CCN(c3cccc(Br)c3)C2)C1 ZINC000543397912 564349418 /nfs/dbraw/zinc/34/94/18/564349418.db2.gz CZGSQTKCUQIRKH-NVXWUHKLSA-N 1 0 382.346 2.586 20 0 GFADRO CN(c1ncnc2cccc(I)c21)[C@H]1CCC[N@H+](C)C1 ZINC000543414289 564349854 /nfs/dbraw/zinc/34/98/54/564349854.db2.gz WRJWSUWRWDQIJU-NSHDSACASA-N 1 0 382.249 2.765 20 0 GFADRO CC1(C)[C@H]([NH2+]CCNS(=O)(=O)c2ccc(F)cc2Cl)[C@H]2CCCO[C@H]21 ZINC000510979535 564351688 /nfs/dbraw/zinc/35/16/88/564351688.db2.gz VOVVJMRSJRSZKB-DAXOMENPSA-N 1 0 390.908 2.551 20 0 GFADRO [NH3+][C@H]1CCC[C@H](CNC(=O)CNC(=O)c2sc3ccccc3c2Cl)C1 ZINC000566972906 564351771 /nfs/dbraw/zinc/35/17/71/564351771.db2.gz DTOIREAEDHUODU-RYUDHWBXSA-N 1 0 379.913 2.918 20 0 GFADRO COC1(C[C@@H](C)[NH2+]CCNS(=O)(=O)c2ccc(F)cc2Cl)CCC1 ZINC000510957699 564352073 /nfs/dbraw/zinc/35/20/73/564352073.db2.gz IRILFDZSRPMVDJ-GFCCVEGCSA-N 1 0 378.897 2.695 20 0 GFADRO C[N@@H+]1CC[C@H]2OCCN(C(=O)COc3c(Cl)cc(Cl)cc3Cl)[C@H]2C1 ZINC000451799618 564353069 /nfs/dbraw/zinc/35/30/69/564353069.db2.gz HDBVQJRDIARBPL-UONOGXRCSA-N 1 0 393.698 2.957 20 0 GFADRO C[NH+](C)C1CN(C(=O)Nc2cc(I)ccc2Cl)C1 ZINC000543597902 564355286 /nfs/dbraw/zinc/35/52/86/564355286.db2.gz VGJNVVBVIGQIQH-UHFFFAOYSA-N 1 0 379.629 2.722 20 0 GFADRO CS(=O)(=O)N1CC[C@@H]([NH2+][C@H]2CCc3c2cc(Cl)cc3Br)C1 ZINC000567054543 564355364 /nfs/dbraw/zinc/35/53/64/564355364.db2.gz SBIYTPBPRLDGEK-YGRLFVJLSA-N 1 0 393.734 2.713 20 0 GFADRO CN(C)S(=O)(=O)[C@H]1CCCN(CCOc2cc(Cl)ccc2Cl)C1 ZINC000511110074 564357565 /nfs/dbraw/zinc/35/75/65/564357565.db2.gz UHXZRKZXGSUINN-ZDUSSCGKSA-N 1 0 381.325 2.728 20 0 GFADRO C[C@@H](c1cccc(Br)c1)N1CCC[C@@H](S(=O)(=O)N(C)C)C1 ZINC000511112393 564357997 /nfs/dbraw/zinc/35/79/97/564357997.db2.gz ZIAPABMKPGFLJN-SWLSCSKDSA-N 1 0 375.332 2.866 20 0 GFADRO CN(C[C@H]1CCCN(CCOc2c(Cl)cccc2Cl)C1)S(C)(=O)=O ZINC000511137024 564359483 /nfs/dbraw/zinc/35/94/83/564359483.db2.gz BJBRAQRMSRZHGI-CYBMUJFWSA-N 1 0 395.352 2.976 20 0 GFADRO COc1cc(Br)c(CN2C[C@@H](C[NH3+])C3(C2)CCOCC3)c(OC)c1 ZINC000567166921 564360342 /nfs/dbraw/zinc/36/03/42/564360342.db2.gz XLDIXGQBYRQRLS-CYBMUJFWSA-N 1 0 399.329 2.654 20 0 GFADRO C[C@H]1CN(CC(F)(F)F)CC[N@H+](C[C@@H](O)COc2ccccc2Cl)C1 ZINC000451869955 564360945 /nfs/dbraw/zinc/36/09/45/564360945.db2.gz HCPOLJGJCGVLAI-ZIAGYGMSSA-N 1 0 380.838 2.896 20 0 GFADRO CC[NH+](CC)CCNC(=O)C(=O)N(Cc1cccc(Br)c1)C(C)C ZINC000567183103 564361279 /nfs/dbraw/zinc/36/12/79/564361279.db2.gz IURAXZZSXJDFKJ-UHFFFAOYSA-N 1 0 398.345 2.644 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(S(=O)(=O)c3c(Cl)cc(F)cc3Br)C[C@@H]21 ZINC000451880581 564361411 /nfs/dbraw/zinc/36/14/11/564361411.db2.gz WYFLMJAXMXVMMM-PELKAZGASA-N 1 0 397.697 2.566 20 0 GFADRO COC(=O)c1ccc(OCC[N@@H+]2CC[C@@H]([C@H](O)C(F)(F)F)C2)c(Cl)c1 ZINC000451906288 564364582 /nfs/dbraw/zinc/36/45/82/564364582.db2.gz LFZQWMVNLVDFKA-RISCZKNCSA-N 1 0 381.778 2.751 20 0 GFADRO C[C@@H]1CCC[N@H+](CCNC(=O)N[C@@H](CCO)c2ccccc2Br)C1 ZINC000543820298 564364835 /nfs/dbraw/zinc/36/48/35/564364835.db2.gz XDMLPCRSXZKQRV-PBHICJAKSA-N 1 0 398.345 2.904 20 0 GFADRO CS[C@H]1CN(S(=O)(=O)Cc2ccc(F)c(Cl)c2)C[C@H]1[NH+]1CCCC1 ZINC000477138906 564366223 /nfs/dbraw/zinc/36/62/23/564366223.db2.gz PXHVZYFNPKCGNM-CVEARBPZSA-N 1 0 392.949 2.821 20 0 GFADRO CS[C@@H]1CN(S(=O)(=O)c2cccc(C(F)(F)F)c2)C[C@H]1[NH+]1CCCC1 ZINC000477138794 564366318 /nfs/dbraw/zinc/36/63/18/564366318.db2.gz HQXLEQQXLXVFLP-HUUCEWRRSA-N 1 0 394.484 2.906 20 0 GFADRO C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCc1noc(-c2cccc(Br)c2)n1 ZINC000477144346 564367203 /nfs/dbraw/zinc/36/72/03/564367203.db2.gz SPESJJKZIQHCFJ-RYUDHWBXSA-N 1 0 393.285 2.988 20 0 GFADRO CCC[C@H](C)C(=O)NCC[NH2+]CCC(=O)Nc1cccc(Br)c1 ZINC000567378629 564369320 /nfs/dbraw/zinc/36/93/20/564369320.db2.gz LDBDKAHTVYYKGO-ZDUSSCGKSA-N 1 0 384.318 2.920 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)c2ccc(F)c(I)c2)CC[N@@H+]1C ZINC000477287675 564372153 /nfs/dbraw/zinc/37/21/53/564372153.db2.gz SKRHRKQDDAAGHM-MWLCHTKSSA-N 1 0 376.213 2.643 20 0 GFADRO C[C@H]1C[C@H](NC(=O)c2ccc(F)c(I)c2)CC[N@@H+]1C ZINC000477287673 564372453 /nfs/dbraw/zinc/37/24/53/564372453.db2.gz SKRHRKQDDAAGHM-GXSJLCMTSA-N 1 0 376.213 2.643 20 0 GFADRO O=C(NCC[NH+]1CCCCC1)c1ccc(F)c(I)c1 ZINC000477307054 564372721 /nfs/dbraw/zinc/37/27/21/564372721.db2.gz ACGQANUYPQOLGA-UHFFFAOYSA-N 1 0 376.213 2.646 20 0 GFADRO Cc1nn(C)c(C)c1CC[NH2+]CCC(=O)Nc1ccc(Br)cc1 ZINC000567488834 564373552 /nfs/dbraw/zinc/37/35/52/564373552.db2.gz PFAHJZZPDZQVDD-UHFFFAOYSA-N 1 0 379.302 2.960 20 0 GFADRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc(F)c(I)c1 ZINC000477314968 564373593 /nfs/dbraw/zinc/37/35/93/564373593.db2.gz BGTVHWVVXLXTMG-KBPBESRZSA-N 1 0 388.224 2.787 20 0 GFADRO [NH3+][C@@H]1C[C@H](N[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)c2ccccc21 ZINC000567490107 564373914 /nfs/dbraw/zinc/37/39/14/564373914.db2.gz QPTYSFPBMILHGW-XYPHTWIQSA-N 1 0 377.535 2.636 20 0 GFADRO COc1ccc(C(=O)NCCC[N@H+](C)C(C)C)cc1I ZINC000477341875 564374073 /nfs/dbraw/zinc/37/40/73/564374073.db2.gz LUZLLLVZZHFVHL-UHFFFAOYSA-N 1 0 390.265 2.760 20 0 GFADRO C[C@@H](NC(=O)c1cccc(NC(=O)c2ccc(Br)o2)c1)[C@H](C)[NH3+] ZINC000567501112 564374786 /nfs/dbraw/zinc/37/47/86/564374786.db2.gz CFDRXAHZNHRNMS-VHSXEESVSA-N 1 0 380.242 2.760 20 0 GFADRO Cn1c(=O)oc2cc(C[NH2+][C@@H](CO)c3cccc(Br)c3)ccc21 ZINC000511589046 564376581 /nfs/dbraw/zinc/37/65/81/564376581.db2.gz UUOGKWYQHFNKAI-AWEZNQCLSA-N 1 0 377.238 2.717 20 0 GFADRO Cn1nnc2cc(C[NH2+][C@](C)(CO)c3ccc(Br)cc3)ccc21 ZINC000511574975 564376885 /nfs/dbraw/zinc/37/68/85/564376885.db2.gz LWNRQBGATJDDIF-QGZVFWFLSA-N 1 0 375.270 2.728 20 0 GFADRO C[C@@](CO)([NH2+]C[C@H](O)COc1ccc(F)cc1)c1ccc(Br)cc1 ZINC000511606801 564377481 /nfs/dbraw/zinc/37/74/81/564377481.db2.gz XVRGKVBJIKMVST-WMZOPIPTSA-N 1 0 398.272 2.825 20 0 GFADRO Cc1cc(Br)ccc1S(=O)(=O)N[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000477515807 564379747 /nfs/dbraw/zinc/37/97/47/564379747.db2.gz INWWEGSUUPLWOL-CQSZACIVSA-N 1 0 375.332 2.909 20 0 GFADRO Cc1cc(C(=O)NCCOCC[NH+](C)C)nn1-c1ccc(Cl)c(Cl)c1 ZINC000544341381 564382810 /nfs/dbraw/zinc/38/28/10/564382810.db2.gz ZISOHARHXYAJNB-UHFFFAOYSA-N 1 0 385.295 2.796 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)c1cc(F)ccc1I)C1CC1 ZINC000511816988 564383034 /nfs/dbraw/zinc/38/30/34/564383034.db2.gz ILXQXWDWEHMHKP-CYBMUJFWSA-N 1 0 376.213 2.500 20 0 GFADRO CN(C)[C@@]1(C[NH2+]C[C@H](O)COc2cc(Cl)ccc2Cl)CCSC1 ZINC000567683884 564383333 /nfs/dbraw/zinc/38/33/33/564383333.db2.gz ZRFXFDZQQZQNBL-XJKSGUPXSA-N 1 0 379.353 2.760 20 0 GFADRO C[C@@H]1CC([NH2+]C[C@H](O)COc2cc(F)cc(Br)c2)C[C@@H](C)O1 ZINC000567685772 564383434 /nfs/dbraw/zinc/38/34/34/564383434.db2.gz MCNBFUYIVAYEEF-HFAKWTLXSA-N 1 0 376.266 2.874 20 0 GFADRO CSC[C@H](O)C[NH2+][C@@H](c1ccc(F)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000567725889 564385048 /nfs/dbraw/zinc/38/50/48/564385048.db2.gz NGSZLFJMIAOXSK-AEFFLSMTSA-N 1 0 383.510 2.632 20 0 GFADRO CCC[N@@H+]1CCC[C@H]1CNC(=O)N(CCO)Cc1cccc(Br)c1 ZINC000511902974 564385415 /nfs/dbraw/zinc/38/54/15/564385415.db2.gz YCQMAFPRDMTZQO-KRWDZBQOSA-N 1 0 398.345 2.827 20 0 GFADRO COc1cc(NC(=O)[C@H]([NH2+]C2CCOCC2)C(C)C)ncc1Br ZINC000477790160 564388491 /nfs/dbraw/zinc/38/84/91/564388491.db2.gz AMMWBOWZFIDGFM-OAHLLOKOSA-N 1 0 386.290 2.584 20 0 GFADRO C[C@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH2+]C[C@@H](O)CN(C)C ZINC000512009010 564389577 /nfs/dbraw/zinc/38/95/77/564389577.db2.gz SBDLTRRVLJIIBI-ZYHUDNBSSA-N 1 0 381.826 2.588 20 0 GFADRO O=C(NCc1ccc(I)c(Cl)c1)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000567825387 564391121 /nfs/dbraw/zinc/39/11/21/564391121.db2.gz NBMGXCICZUVHNQ-QMTHXVAHSA-N 1 0 390.652 2.560 20 0 GFADRO [NH3+][C@@H]1CN(C(=O)[C@H]2COc3ccc(Br)cc32)C[C@H]1c1ccccc1 ZINC000567837723 564391897 /nfs/dbraw/zinc/39/18/97/564391897.db2.gz RJVICGOLRHNHGU-YESZJQIVSA-N 1 0 387.277 2.878 20 0 GFADRO COc1ccc(Br)cc1S(=O)(=O)N(C)[C@H]1CC[N@@H+](C(C)C)C1 ZINC000452096576 564391971 /nfs/dbraw/zinc/39/19/71/564391971.db2.gz OIVVCKAFKQJFLP-ZDUSSCGKSA-N 1 0 391.331 2.561 20 0 GFADRO Cc1sc(Br)cc1S(=O)(=O)N(C)[C@H]1CC[N@@H+](C(C)C)C1 ZINC000452099018 564392002 /nfs/dbraw/zinc/39/20/02/564392002.db2.gz BROIWNKVKGLHMR-NSHDSACASA-N 1 0 381.361 2.922 20 0 GFADRO CC(C)[N@@H+]1CC[C@@H](N(C)S(=O)(=O)CCc2ccccc2Br)C1 ZINC000452107850 564393803 /nfs/dbraw/zinc/39/38/03/564393803.db2.gz UGSTUFXHDNSYBN-OAHLLOKOSA-N 1 0 389.359 2.736 20 0 GFADRO C[N@@H+]1CC[C@H]2CCN(Cc3cn(-c4ccccc4Br)nn3)[C@H]2C1 ZINC000567884030 564394984 /nfs/dbraw/zinc/39/49/84/564394984.db2.gz RJTXQTTWGRYBTB-GUYCJALGSA-N 1 0 376.302 2.556 20 0 GFADRO [NH3+]C[C@H]1CC[C@H](CNC(=O)c2c(F)cccc2I)CC1 ZINC000567914725 564395747 /nfs/dbraw/zinc/39/57/47/564395747.db2.gz KCLKDAJXIWRJMY-XYPYZODXSA-N 1 0 390.240 2.925 20 0 GFADRO C[NH+]1CCC(NC(=O)[C@H](c2cc(Cl)cc(Cl)c2)N2CCOCC2)CC1 ZINC000512283018 564396942 /nfs/dbraw/zinc/39/69/42/564396942.db2.gz VVSXSIBCPFVZQA-KRWDZBQOSA-N 1 0 386.323 2.577 20 0 GFADRO CC[NH+]1CCN([C@H](C)CNC(=O)c2cc(Br)c(C)cc2OC)CC1 ZINC000512333158 564397598 /nfs/dbraw/zinc/39/75/98/564397598.db2.gz FJDDTARBYDNIJB-CQSZACIVSA-N 1 0 398.345 2.522 20 0 GFADRO Cc1cc(CCC(=O)N[C@H](CO)C[NH+]2CCCCC2)ccc1Br ZINC000512389560 564399389 /nfs/dbraw/zinc/39/93/89/564399389.db2.gz NUBQCCSKUPAAHT-INIZCTEOSA-N 1 0 383.330 2.653 20 0 GFADRO CSc1nccn1-c1ccc(C(=O)N2C[C@@H]([NH+](C)C)[C@@H](SC)C2)cc1 ZINC000478405020 564401835 /nfs/dbraw/zinc/40/18/35/564401835.db2.gz ZHTMSNOHGCZLSZ-CVEARBPZSA-N 1 0 376.551 2.712 20 0 GFADRO Cc1ccc([C@H](CNC(=O)Nc2ccncc2Br)[NH+](C)C)cc1 ZINC000512501641 564404526 /nfs/dbraw/zinc/40/45/26/564404526.db2.gz NFEKJGAYMRJDMQ-INIZCTEOSA-N 1 0 377.286 2.999 20 0 GFADRO CS[C@@H]1CN(C(=O)COc2ccc(Cl)c3cccnc23)C[C@@H]1[NH+](C)C ZINC000478490222 564404989 /nfs/dbraw/zinc/40/49/89/564404989.db2.gz XIYNGENSORFSCM-GOEBONIOSA-N 1 0 379.913 2.771 20 0 GFADRO O=C(NC[C@H]1CCC[N@H+]1CCCO)C1(Cc2ccccc2Br)CC1 ZINC000452346477 564407075 /nfs/dbraw/zinc/40/70/75/564407075.db2.gz VYHDLRVLZPFWPO-MRXNPFEDSA-N 1 0 395.341 2.735 20 0 GFADRO O=C(NC[C@@H]1CCC[N@H+]1CCCO)c1cc(F)c(Br)cc1Cl ZINC000452369843 564409253 /nfs/dbraw/zinc/40/92/53/564409253.db2.gz SFNFTVPAZXNMNK-JTQLQIEISA-N 1 0 393.684 2.818 20 0 GFADRO O=C(NC[C@H]1CCCC[N@H+]1CCO)c1cc(Br)cc2cccnc21 ZINC000452376039 564409978 /nfs/dbraw/zinc/40/99/78/564409978.db2.gz KEJXTUWYEQRHCN-OAHLLOKOSA-N 1 0 392.297 2.574 20 0 GFADRO C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)NC[C@@H]1CCCC[N@@H+]1CCO ZINC000452389829 564412683 /nfs/dbraw/zinc/41/26/83/564412683.db2.gz MWXKOMWAKKFCPP-OLZOCXBDSA-N 1 0 375.296 2.724 20 0 GFADRO C[NH+](C)C[C@@H](O)COc1ccc(NC(=O)c2c(Cl)cncc2Cl)cc1 ZINC000568304895 564412908 /nfs/dbraw/zinc/41/29/08/564412908.db2.gz CIPIWJQTFQGWPZ-GFCCVEGCSA-N 1 0 384.263 2.942 20 0 GFADRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)Nc1ccc(I)cc1F ZINC000568296328 564413042 /nfs/dbraw/zinc/41/30/42/564413042.db2.gz GKTVHESTIZSQQJ-DTWKUNHWSA-N 1 0 377.201 2.644 20 0 GFADRO COc1ccc2nc(C[NH2+]C[C@H]3CCCC[C@@H]3NS(C)(=O)=O)sc2c1 ZINC000512855363 564413429 /nfs/dbraw/zinc/41/34/29/564413429.db2.gz GRMLNZBAEPJCRG-OCCSQVGLSA-N 1 0 383.539 2.503 20 0 GFADRO CCCC[N@H+](C)C[C@H](C)NC(=O)C(=O)Nc1ccc(Br)cc1C ZINC000568322648 564413755 /nfs/dbraw/zinc/41/37/55/564413755.db2.gz JGHDGRSXSSSOGY-ZDUSSCGKSA-N 1 0 384.318 2.933 20 0 GFADRO CC(C)Oc1cc(Br)cc(C(=O)NC[C@H]2CCCC[N@@H+]2CCO)c1 ZINC000452397047 564414014 /nfs/dbraw/zinc/41/40/14/564414014.db2.gz ZCDUJLGTBHAGIB-MRXNPFEDSA-N 1 0 399.329 2.813 20 0 GFADRO CC[NH+](CC)CCS(=O)(=O)N[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 ZINC000568331672 564414103 /nfs/dbraw/zinc/41/41/03/564414103.db2.gz LPQBNGGOVDFPHS-CVEARBPZSA-N 1 0 378.897 2.570 20 0 GFADRO CCN(Cc1ccccc1Br)C(=O)N[C@H]1CC[N@H+](CCOC)C1 ZINC000545263176 564415128 /nfs/dbraw/zinc/41/51/28/564415128.db2.gz QLWVAGGWIFKTNI-HNNXBMFYSA-N 1 0 384.318 2.701 20 0 GFADRO CS(=O)(=O)N[C@@H]1CCCC[C@@H]1C[NH2+]Cc1cscc1Br ZINC000512909457 564416222 /nfs/dbraw/zinc/41/62/22/564416222.db2.gz ZAWNQWGFMGMGMD-ZWNOBZJWSA-N 1 0 381.361 2.708 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CC[NH2+]C[C@H](O)CCOC(C)C ZINC000568382036 564416338 /nfs/dbraw/zinc/41/63/38/564416338.db2.gz KCKLXIJWSFARFI-OAHLLOKOSA-N 1 0 387.318 2.852 20 0 GFADRO COCC[N@H+](C)CCNC(=O)NCCc1c[nH]c2cc(Cl)cc(Cl)c12 ZINC000478901081 564417988 /nfs/dbraw/zinc/41/79/88/564417988.db2.gz QZOROXJZMULMQT-UHFFFAOYSA-N 1 0 387.311 2.895 20 0 GFADRO O=C1NC(=O)C2(CCC([NH2+]Cc3cc(Cl)cc(C(F)(F)F)c3)CC2)N1 ZINC000513001864 564418079 /nfs/dbraw/zinc/41/80/79/564418079.db2.gz OPIOSJWPGKPHDR-UHFFFAOYSA-N 1 0 375.778 2.969 20 0 GFADRO O=S(=O)(C1CC1)N1CCC[C@@H]([NH2+]Cc2cc(F)cc(C(F)(F)F)c2)C1 ZINC000513088775 564420094 /nfs/dbraw/zinc/42/00/94/564420094.db2.gz JUCBJXRJTFRTNP-CQSZACIVSA-N 1 0 380.407 2.891 20 0 GFADRO COC(=O)C[C@](C)([NH2+]CCc1cnn(C)c1)c1ccc(Br)cc1 ZINC000513122110 564420610 /nfs/dbraw/zinc/42/06/10/564420610.db2.gz LLCQNDHNOKQEAY-KRWDZBQOSA-N 1 0 380.286 2.793 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000479016271 564421522 /nfs/dbraw/zinc/42/15/22/564421522.db2.gz PZPAXMNVZLXSKA-UHFFFAOYSA-N 1 0 396.329 2.941 20 0 GFADRO C[C@H](CC[NH+](C)C)NC(=O)[C@@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000479092678 564425313 /nfs/dbraw/zinc/42/53/13/564425313.db2.gz FNPNEVISYGTUNN-NDGTYSDOSA-N 1 0 386.323 2.969 20 0 GFADRO C[C@H]1C[C@H](N(C)C(=O)c2ccc(I)c(O)c2)CC[N@@H+]1C ZINC000545506683 564426213 /nfs/dbraw/zinc/42/62/13/564426213.db2.gz VSLWHHFSDQLPHJ-CMPLNLGQSA-N 1 0 388.249 2.552 20 0 GFADRO C[NH+](C)CC1(NS(=O)(=O)c2cc(Cl)ccc2Br)CCC1 ZINC000545492416 564426384 /nfs/dbraw/zinc/42/63/84/564426384.db2.gz UYMMNOCKAWEZNL-UHFFFAOYSA-N 1 0 381.723 2.865 20 0 GFADRO CC(C)[C@](C)(NC(=O)NC[C@H]1C[NH2+]CCCO1)c1ccc(Br)cc1 ZINC000568609443 564426872 /nfs/dbraw/zinc/42/68/72/564426872.db2.gz ZYIKCYRVMVEWJM-AEFFLSMTSA-N 1 0 398.345 2.998 20 0 GFADRO COCC[N@H+](CCO)Cc1cc(Br)c(C)c(Br)c1 ZINC000568611915 564427029 /nfs/dbraw/zinc/42/70/29/564427029.db2.gz OMRJZWGXADIWQD-UHFFFAOYSA-N 1 0 381.108 2.961 20 0 GFADRO C[N@@H+]1CC[C@H]2[C@H](CCCN2Cc2cn(-c3ccccc3Br)nn2)C1 ZINC000568615356 564427237 /nfs/dbraw/zinc/42/72/37/564427237.db2.gz LHMVQMKPXLZECR-PBHICJAKSA-N 1 0 390.329 2.946 20 0 GFADRO CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)NCCc1c(Cl)cccc1Cl ZINC000479142329 564427662 /nfs/dbraw/zinc/42/76/62/564427662.db2.gz KUXRBPJUPNJWKH-UHFFFAOYSA-N 1 0 386.323 2.595 20 0 GFADRO O=C(CCOc1ccc(Cl)cc1Cl)NC[C@@H]1CCCC[N@H+]1CCO ZINC000452789787 564431455 /nfs/dbraw/zinc/43/14/55/564431455.db2.gz BHORBRVRBBEWFU-AWEZNQCLSA-N 1 0 375.296 2.725 20 0 GFADRO O=C(N[C@@H]1CCC[N@@H+](CCCO)C1)c1c(Cl)cc(F)cc1Br ZINC000452794178 564431571 /nfs/dbraw/zinc/43/15/71/564431571.db2.gz FXANKUQZZFICNU-LLVKDONJSA-N 1 0 393.684 2.818 20 0 GFADRO O=C(COc1c(Cl)cc(Cl)cc1Cl)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000452796522 564432591 /nfs/dbraw/zinc/43/25/91/564432591.db2.gz NKDKWUJMPZWJBH-GFCCVEGCSA-N 1 0 395.714 2.989 20 0 GFADRO O=C(CNC(=O)c1ccc(Cl)c(Cl)c1)N1CCC2(CC[NH2+]CC2)CC1 ZINC000479273862 564434444 /nfs/dbraw/zinc/43/44/44/564434444.db2.gz FUUSCUPJVQQVCF-UHFFFAOYSA-N 1 0 384.307 2.715 20 0 GFADRO CC(C)[N@@H+]1CC[C@@H](CNc2ncnc3cccc(I)c32)C1 ZINC000545869772 564434783 /nfs/dbraw/zinc/43/47/83/564434783.db2.gz MYBVANOGGFGTNP-LBPRGKRZSA-N 1 0 396.276 3.377 20 0 GFADRO CN(c1ncnc2cccc(I)c21)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000545864666 564434874 /nfs/dbraw/zinc/43/48/74/564434874.db2.gz FWHDQJVCQHFATO-GFCCVEGCSA-N 1 0 394.260 2.907 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)C(=O)NCC[NH+]1CCCCCC1 ZINC000479280402 564434942 /nfs/dbraw/zinc/43/49/42/564434942.db2.gz CINSOWUWWDDOCO-UHFFFAOYSA-N 1 0 396.329 2.942 20 0 GFADRO CCOc1cc(Br)ccc1NC(=O)NCCN1CCOC[C@@H]1C ZINC000479314737 564435797 /nfs/dbraw/zinc/43/57/97/564435797.db2.gz HYSNAILLAYKZPT-LBPRGKRZSA-N 1 0 386.290 2.690 20 0 GFADRO CC1=CC[N@H+](CCNC(=O)[C@H](NC(=O)c2ccc(Cl)s2)C(C)C)CC1 ZINC000513666902 564436077 /nfs/dbraw/zinc/43/60/77/564436077.db2.gz QARBQSAQKGKMIA-MRXNPFEDSA-N 1 0 383.945 2.924 20 0 GFADRO C[C@@H](CNC(=O)NCCCn1cc(Br)cn1)[N@@H+]1CCCC[C@H]1C ZINC000479346537 564436414 /nfs/dbraw/zinc/43/64/14/564436414.db2.gz LBROLUXTZCJWEP-KGLIPLIRSA-N 1 0 386.338 2.598 20 0 GFADRO CC1(C)C[C@H]([NH2+]CCNC(=O)c2ccn[nH]2)c2cc(Br)ccc21 ZINC000479432791 564439655 /nfs/dbraw/zinc/43/96/55/564439655.db2.gz TYMHZJZOVXJBAX-HNNXBMFYSA-N 1 0 377.286 2.914 20 0 GFADRO CCOCCCN1CC[C@@H]([NH2+]Cc2ccc(S(=O)(=O)CC)s2)[C@@H](C)C1 ZINC000479446063 564440707 /nfs/dbraw/zinc/44/07/07/564440707.db2.gz NKDUXRKQKOGYCX-DOTOQJQBSA-N 1 0 388.599 2.768 20 0 GFADRO CC[C@H]([NH2+][C@@H]1CCn2ccnc2C1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000568943668 564441794 /nfs/dbraw/zinc/44/17/94/564441794.db2.gz FHEPXQJWFUSQDJ-HIFRSBDPSA-N 1 0 382.917 2.500 20 0 GFADRO CN1CCN(C(=O)CC[N@@H+]2CCC[C@H]2c2ccc(Br)cc2)CC1 ZINC000513884421 564442102 /nfs/dbraw/zinc/44/21/02/564442102.db2.gz WWRNSPYAVOWHPT-KRWDZBQOSA-N 1 0 380.330 2.750 20 0 GFADRO CCOc1ccc(S(=O)(=O)NCC(C)(C)C[NH+](C)C)cc1Br ZINC000546093858 564445147 /nfs/dbraw/zinc/44/51/47/564445147.db2.gz HFICFWOAXCFODG-UHFFFAOYSA-N 1 0 393.347 2.714 20 0 GFADRO C[C@H](Cc1cnccn1)[NH2+]CCCNC(=O)c1ccc(Br)cc1 ZINC000453081568 564445450 /nfs/dbraw/zinc/44/54/50/564445450.db2.gz CDNGVCWIXHKSSB-CYBMUJFWSA-N 1 0 377.286 2.580 20 0 GFADRO CC(C)(Cc1ccc(Br)cc1)[NH2+]C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000514074279 564445533 /nfs/dbraw/zinc/44/55/33/564445533.db2.gz LHDSZSMXKZTZGF-CQSZACIVSA-N 1 0 389.359 2.641 20 0 GFADRO CC[NH+](CC)CCNC(=O)NCc1cn2cc(Br)cc(C)c2n1 ZINC000546120588 564445794 /nfs/dbraw/zinc/44/57/94/564445794.db2.gz HMSBRXKQRAIWRM-UHFFFAOYSA-N 1 0 382.306 2.546 20 0 GFADRO CCN(CCC[NH2+][C@H](C)Cc1ccc(F)cc1Br)S(C)(=O)=O ZINC000569047460 564446230 /nfs/dbraw/zinc/44/62/30/564446230.db2.gz LRCGNHCGOSOALS-GFCCVEGCSA-N 1 0 395.338 2.780 20 0 GFADRO CCO[C@@H]1COCC[C@@H]1[NH2+][C@H](C)CC(=O)Nc1ccc(Br)cc1 ZINC000546163207 564446873 /nfs/dbraw/zinc/44/68/73/564446873.db2.gz GDVJCHYQJBBBRO-UHOFOFEASA-N 1 0 385.302 2.950 20 0 GFADRO Cc1cccc(Br)c1C(=O)N1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000569100913 564449255 /nfs/dbraw/zinc/44/92/55/564449255.db2.gz OODAOIJFHPLJBC-INIZCTEOSA-N 1 0 394.357 2.998 20 0 GFADRO C[C@H]([NH2+]CC(=O)NCC1CC1)c1ccc(F)c(I)c1 ZINC000453197533 564449713 /nfs/dbraw/zinc/44/97/13/564449713.db2.gz NBKUHJCSQCWCIL-VIFPVBQESA-N 1 0 376.213 2.607 20 0 GFADRO CC[C@@H](COCC(F)(F)F)[NH2+][C@@H]1CCCc2cc(S(N)(=O)=O)ccc21 ZINC000453258158 564451255 /nfs/dbraw/zinc/45/12/55/564451255.db2.gz OFWAZUZNFRQYLN-SWLSCSKDSA-N 1 0 380.432 2.659 20 0 GFADRO [NH3+]CC12CCC(CC1)CN2C(=O)C1=Cc2cc(Br)ccc2OC1 ZINC000514611140 564451364 /nfs/dbraw/zinc/45/13/64/564451364.db2.gz BKNITTCURFBGSN-UHFFFAOYSA-N 1 0 377.282 2.955 20 0 GFADRO COc1ncc(C[NH2+][C@@H]2CCCc3cc(S(N)(=O)=O)ccc32)cc1Cl ZINC000453288553 564451573 /nfs/dbraw/zinc/45/15/73/564451573.db2.gz KBPFETPHHCDMDB-MRXNPFEDSA-N 1 0 381.885 2.558 20 0 GFADRO O=S1(=O)CC[C@@](O)(C[NH2+][C@H](Cc2ccc(Cl)cc2)c2ccccc2)C1 ZINC000453278161 564451747 /nfs/dbraw/zinc/45/17/47/564451747.db2.gz PCNIGRCKWHUEEN-RTBURBONSA-N 1 0 379.909 2.763 20 0 GFADRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)NCc1ccc(I)cc1Cl ZINC000514671669 564453789 /nfs/dbraw/zinc/45/37/89/564453789.db2.gz YQTMNTJZCZANGE-RKDXNWHRSA-N 1 0 395.672 2.870 20 0 GFADRO O=S1(=O)CC[C@@H]([NH2+]C[C@@H]2CCCC[C@H]2O)c2cc(Br)ccc21 ZINC000453351677 564454007 /nfs/dbraw/zinc/45/40/07/564454007.db2.gz GVMHUMZOUSJBBE-NILFDRSVSA-N 1 0 388.327 2.808 20 0 GFADRO COc1ccc(Br)cc1C[C@H](CO)C[NH2+][C@@H](C)Cc1cnccn1 ZINC000453369817 564455032 /nfs/dbraw/zinc/45/50/32/564455032.db2.gz NHYQFGCGWRYAHE-KBPBESRZSA-N 1 0 394.313 2.620 20 0 GFADRO C[NH+](C)CC(C)(C)CNc1ncnc2cccc(I)c21 ZINC000546574148 564459214 /nfs/dbraw/zinc/45/92/14/564459214.db2.gz DOJRIWDHDHWTFS-UHFFFAOYSA-N 1 0 384.265 3.234 20 0 GFADRO Cc1cc(COc2ccc(C(=O)N(C)CC[NH+](C)C)cc2Br)on1 ZINC000480097112 564460598 /nfs/dbraw/zinc/46/05/98/564460598.db2.gz QKEUXJDVHPKOCH-UHFFFAOYSA-N 1 0 396.285 2.958 20 0 GFADRO O=C1[C@H]([NH2+]CC2=Cc3cc(Br)ccc3OC2)C[C@@H]2CCCCN12 ZINC000453616517 564460682 /nfs/dbraw/zinc/46/06/82/564460682.db2.gz GFPCXUJOUHSBNX-JKSUJKDBSA-N 1 0 377.282 2.968 20 0 GFADRO CC(C)(CCO)C[NH2+][C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000480195635 564463075 /nfs/dbraw/zinc/46/30/75/564463075.db2.gz CQZFAGIXZZAJDK-ZDUSSCGKSA-N 1 0 376.316 2.666 20 0 GFADRO O=S1(=O)CC[C@H](N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c2cc(Br)ccc21 ZINC000480262299 564467131 /nfs/dbraw/zinc/46/71/31/564467131.db2.gz JREAKWNAVDZVQR-YCPHGPKFSA-N 1 0 399.354 2.884 20 0 GFADRO Cc1cc(Br)cn2cc(CNC(=O)C[NH+]3[C@H](C)CC[C@H]3C)nc12 ZINC000546823355 564469727 /nfs/dbraw/zinc/46/97/27/564469727.db2.gz LQLXNUXAPTWXGF-CHWSQXEVSA-N 1 0 379.302 2.894 20 0 GFADRO COc1ccc(NC(=O)N2C[C@@H](SC)[C@H]([NH+](C)C)C2)cc1Br ZINC000546840265 564470516 /nfs/dbraw/zinc/47/05/16/564470516.db2.gz JOWJBOMGJINUSM-TZMCWYRMSA-N 1 0 388.331 2.967 20 0 GFADRO COc1ccc(Br)c([C@@H](CO)N(C)C(=O)CCCC[NH+](C)C)c1 ZINC000569667550 564473090 /nfs/dbraw/zinc/47/30/90/564473090.db2.gz BQUZQKDPALSBPP-MRXNPFEDSA-N 1 0 387.318 2.681 20 0 GFADRO C[C@@H]1CN(C(=O)Nc2ccc(Br)cc2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000480460538 564474532 /nfs/dbraw/zinc/47/45/32/564474532.db2.gz HOSCBQDRUXRPCM-PBHICJAKSA-N 1 0 395.345 2.939 20 0 GFADRO O=S(=O)(Cc1cccc(Br)c1)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000515300066 564475356 /nfs/dbraw/zinc/47/53/56/564475356.db2.gz CIFNJVJWANEHLO-MRXNPFEDSA-N 1 0 387.343 2.743 20 0 GFADRO O=C(NCCOc1ccc2cc(Br)ccc2c1)[C@]12C[C@H]1CC[NH2+]2 ZINC000515346099 564475632 /nfs/dbraw/zinc/47/56/32/564475632.db2.gz NDIDMQZQZNGFBM-KDOFPFPSSA-N 1 0 375.266 2.849 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCCN(S(=O)(=O)N(C)C)C1)c1ccc(C(F)(F)F)cc1 ZINC000515343849 564476036 /nfs/dbraw/zinc/47/60/36/564476036.db2.gz FHDJNPCDTWQDLU-SWLSCSKDSA-N 1 0 379.448 2.627 20 0 GFADRO CC[NH+](CC)CCOCCNS(=O)(=O)c1ccc(C)c(C(F)(F)F)c1 ZINC000569770240 564477634 /nfs/dbraw/zinc/47/76/34/564477634.db2.gz JJCRBFODDGBIJH-UHFFFAOYSA-N 1 0 382.448 2.651 20 0 GFADRO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@@H]1C[C@H]2CCCCN2C1=O ZINC000515480300 564480345 /nfs/dbraw/zinc/48/03/45/564480345.db2.gz KHOUPAGSRAHEBG-DAXOMENPSA-N 1 0 394.313 2.909 20 0 GFADRO C[C@H]1CC[N@H+](C)CCN1c1ncnc2cccc(I)c21 ZINC000547282013 564482297 /nfs/dbraw/zinc/48/22/97/564482297.db2.gz OAUWCKWVGZJMLN-NSHDSACASA-N 1 0 382.249 2.765 20 0 GFADRO C[N@@H+]1CC[C@](O)(CNC(=O)N[C@H](c2ccc(Br)cc2)C2CCC2)C1 ZINC000547298490 564483685 /nfs/dbraw/zinc/48/36/85/564483685.db2.gz YGRXSGZKJGSBPA-WMZOPIPTSA-N 1 0 396.329 2.656 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)c2cc(Cl)ccc2Br)CC12CCOCC2 ZINC000569926986 564483993 /nfs/dbraw/zinc/48/39/93/564483993.db2.gz ZIWHBFCTIDDZTR-LLVKDONJSA-N 1 0 387.705 2.930 20 0 GFADRO OC1(C[NH2+]Cc2cc(Br)ccc2Br)CCOCC1 ZINC000569961596 564485491 /nfs/dbraw/zinc/48/54/91/564485491.db2.gz RMQWMPCUISBZDT-UHFFFAOYSA-N 1 0 379.092 2.843 20 0 GFADRO COC(=O)c1cc(Cl)ccc1S(=O)(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000480759696 564486793 /nfs/dbraw/zinc/48/67/93/564486793.db2.gz PWONKIAGLDTJBY-UHFFFAOYSA-N 1 0 388.917 2.527 20 0 GFADRO [NH3+]CC[C@H](NC(=O)[C@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl)C(F)F ZINC000570043527 564489521 /nfs/dbraw/zinc/48/95/21/564489521.db2.gz OYGMERBBNKKXRY-QWHCGFSZSA-N 1 0 394.249 2.697 20 0 GFADRO [NH3+]CCC1CCN(S(=O)(=O)c2ccc(Cl)cc2Br)CC1 ZINC000516076055 564493428 /nfs/dbraw/zinc/49/34/28/564493428.db2.gz JXDQSPXJMGNMEK-UHFFFAOYSA-N 1 0 381.723 2.852 20 0 GFADRO C[C@H](NC(=O)C[N@@H+]1CC[C@H](c2nccn2C)C1)c1ccc(Br)cc1 ZINC000516083079 564493438 /nfs/dbraw/zinc/49/34/38/564493438.db2.gz LKFUGCXTQBNFQX-ZFWWWQNUSA-N 1 0 391.313 2.849 20 0 GFADRO COc1ccc(Br)cc1C(=O)CCC(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000570279012 564498661 /nfs/dbraw/zinc/49/86/61/564498661.db2.gz XFJBDLMYQZQAFO-GOSISDBHSA-N 1 0 397.313 2.927 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000454118268 564499455 /nfs/dbraw/zinc/49/94/55/564499455.db2.gz YQEPUNGJOPRPHN-OAHLLOKOSA-N 1 0 396.329 2.891 20 0 GFADRO CN(C)c1cc(NC(=O)NCCC2CC[NH+](C)CC2)ncc1Br ZINC000570288415 564500175 /nfs/dbraw/zinc/50/01/75/564500175.db2.gz BYRXLPRGVATPHH-UHFFFAOYSA-N 1 0 384.322 2.764 20 0 GFADRO CC(C)[C@@H](CNC(=O)c1nc2cc(Cl)ccc2s1)N1CC[NH+](C)CC1 ZINC000454133216 564500222 /nfs/dbraw/zinc/50/02/22/564500222.db2.gz IVCLFGVRBVCVKQ-OAHLLOKOSA-N 1 0 380.945 2.952 20 0 GFADRO CC[NH+]1CCN(CC(C)(C)NC(=O)Nc2ccccc2Br)CC1 ZINC000454129043 564500426 /nfs/dbraw/zinc/50/04/26/564500426.db2.gz AJKKFFLKPWIFJT-UHFFFAOYSA-N 1 0 383.334 2.987 20 0 GFADRO C[C@H]1CC(C)(C)CC[C@@H]1[NH2+]CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl ZINC000481099570 564503379 /nfs/dbraw/zinc/50/33/79/564503379.db2.gz AVDJMMRURXGHSM-FZMZJTMJSA-N 1 0 387.933 2.730 20 0 GFADRO O=C(CCOC1C[NH2+]C1)Nc1nc(-c2cccc(Br)c2)cs1 ZINC000570390549 564503649 /nfs/dbraw/zinc/50/36/49/564503649.db2.gz UILLBALGDLQUEY-UHFFFAOYSA-N 1 0 382.283 2.890 20 0 GFADRO CC[C@](C)(OC)C(=O)Nc1ccc(CN2CC[NH+](C)CC2)c(Br)c1 ZINC000481123053 564504223 /nfs/dbraw/zinc/50/42/23/564504223.db2.gz PLVQCLIRKRJRRE-SFHVURJKSA-N 1 0 398.345 2.950 20 0 GFADRO CC(C)COC[C@H](O)C[NH2+][C@H](C)c1ccccc1I ZINC000481169933 564505145 /nfs/dbraw/zinc/50/51/45/564505145.db2.gz CNSXIRPUEJMACV-CHWSQXEVSA-N 1 0 377.266 2.975 20 0 GFADRO CO[C@H]1CCN(C(=O)Nc2cc(Br)cc3nc(C)oc32)[C@H](C[NH3+])C1 ZINC000516551475 564505168 /nfs/dbraw/zinc/50/51/68/564505168.db2.gz RRARYVMBTBZEIG-RYUDHWBXSA-N 1 0 397.273 2.869 20 0 GFADRO CC1(C)CC[C@@H](C[NH2+]CCS(=O)(=O)c2cccc(Br)c2)O1 ZINC000570446840 564506326 /nfs/dbraw/zinc/50/63/26/564506326.db2.gz HXVVWLQRIRELBY-ZDUSSCGKSA-N 1 0 376.316 2.770 20 0 GFADRO C[NH+](C)[C@]1(CNC(=O)NCc2sccc2Br)CCSC1 ZINC000481315130 564509738 /nfs/dbraw/zinc/50/97/38/564509738.db2.gz BZCRMDWLKXPINO-ZDUSSCGKSA-N 1 0 378.361 2.747 20 0 GFADRO Cc1cc(Br)cc(S(=O)(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)c1 ZINC000570514501 564509779 /nfs/dbraw/zinc/50/97/79/564509779.db2.gz NOZFJPDMESYTOP-JOCQHMNTSA-N 1 0 375.332 2.801 20 0 GFADRO O=C(CC[N@@H+]1CC[C@H](c2nnc[nH]2)C1)Nc1ccc(Br)cc1F ZINC000570565142 564511443 /nfs/dbraw/zinc/51/14/43/564511443.db2.gz ISIXLDVNYBUJTF-JTQLQIEISA-N 1 0 382.237 2.524 20 0 GFADRO O=C(N[C@H]1CC[N@@H+](C2CC2)C1)c1cc(-c2ccc(Br)cc2)n[nH]1 ZINC000516763561 564511927 /nfs/dbraw/zinc/51/19/27/564511927.db2.gz IYPCIHBUHJNSOH-ZDUSSCGKSA-N 1 0 375.270 2.806 20 0 GFADRO C[N@@H+]1CCN(C(=O)c2ccc(-n3cc(Br)cn3)cc2)CC1(C)C ZINC000516784519 564512276 /nfs/dbraw/zinc/51/22/76/564512276.db2.gz TYPLKQDDSXCPIM-UHFFFAOYSA-N 1 0 377.286 2.801 20 0 GFADRO COCCC[N@H+](C)CCNC(=O)NC/C=C/c1ccc(Br)cc1 ZINC000454559755 564514186 /nfs/dbraw/zinc/51/41/86/564514186.db2.gz NHSRKVLQHPQZAC-HWKANZROSA-N 1 0 384.318 2.730 20 0 GFADRO C[C@H](Oc1ccc(F)cc1Br)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000570625316 564514717 /nfs/dbraw/zinc/51/47/17/564514717.db2.gz NKLDOQJYAUETOZ-TZQJONAQSA-N 1 0 385.277 2.941 20 0 GFADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@@H](O)CCc1ccccc1 ZINC000516917488 564516251 /nfs/dbraw/zinc/51/62/51/564516251.db2.gz LSALSVWGRTYVHX-PBHICJAKSA-N 1 0 379.298 2.583 20 0 GFADRO Cc1nc(CNC(=O)NCC2([NH+](C)C)CCCC2)sc1Br ZINC000454609299 564516355 /nfs/dbraw/zinc/51/63/55/564516355.db2.gz FUEMEQSAZDNSSN-UHFFFAOYSA-N 1 0 375.336 2.888 20 0 GFADRO COCC[N@H+](C)CCCNC(=O)N[C@@H](C)c1ccc(F)c(Br)c1 ZINC000454612191 564516418 /nfs/dbraw/zinc/51/64/18/564516418.db2.gz RSNPRPPDHFADCQ-LBPRGKRZSA-N 1 0 390.297 2.917 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S(=O)(=O)CC[NH2+][C@@H]1CCC(C)(C)C1 ZINC000516922434 564516776 /nfs/dbraw/zinc/51/67/76/564516776.db2.gz BLFLOKDWAGXTEF-OAHLLOKOSA-N 1 0 387.567 2.812 20 0 GFADRO Cc1ccc(Br)c(S(=O)(=O)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)c1 ZINC000516982931 564519385 /nfs/dbraw/zinc/51/93/85/564519385.db2.gz MAIFBPIGJYARNY-INIZCTEOSA-N 1 0 387.343 2.864 20 0 GFADRO O=S(=O)(c1cccs1)N1CC[C@H](C[NH2+]Cc2cnc(C3CC3)s2)C1 ZINC000516986023 564519470 /nfs/dbraw/zinc/51/94/70/564519470.db2.gz ZVLSZXSLEAWGHB-GFCCVEGCSA-N 1 0 383.564 2.882 20 0 GFADRO Cc1nc2ccc(S(=O)(=O)N3CC[C@H](C[N@H+](C)CC4CC4)C3)cc2s1 ZINC000570751332 564519614 /nfs/dbraw/zinc/51/96/14/564519614.db2.gz VSYLOVZMMCNBIL-OAHLLOKOSA-N 1 0 379.551 2.957 20 0 GFADRO CCOC(=O)C[C@@H]1C[C@H](OC)C[N@@H+]1CCOc1ccc(Br)cc1 ZINC000481728449 564520241 /nfs/dbraw/zinc/52/02/41/564520241.db2.gz XSQHGVBFPJGAHQ-HOCLYGCPSA-N 1 0 386.286 2.870 20 0 GFADRO C[C@@H](CNC(=O)NCCCOc1ncc(C(F)(F)F)cc1Cl)[NH+](C)C ZINC000454723352 564520799 /nfs/dbraw/zinc/52/07/99/564520799.db2.gz WSYBPVZCWBFLTI-JTQLQIEISA-N 1 0 382.814 2.772 20 0 GFADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[N@H+](C)CC(C)(C)OC ZINC000570786835 564521268 /nfs/dbraw/zinc/52/12/68/564521268.db2.gz DHGVTBKKDOCOHH-GFCCVEGCSA-N 1 0 387.318 2.819 20 0 GFADRO C[C@@H](NC(=O)C(=O)N1CCC[C@H](C[NH3+])C1)c1cc(F)c(Cl)cc1Cl ZINC000517019944 564521524 /nfs/dbraw/zinc/52/15/24/564521524.db2.gz DKWNORIEYDFPBO-NXEZZACHSA-N 1 0 376.259 2.507 20 0 GFADRO C[C@@H]1CN(C(=O)NCc2cc(Br)cc3c2OCC3)C[C@H](C)[N@H+]1C ZINC000454798601 564522204 /nfs/dbraw/zinc/52/22/04/564522204.db2.gz KDIRHAZPMLOJPW-TXEJJXNPSA-N 1 0 382.302 2.618 20 0 GFADRO CN(C)S(=O)(=O)CCC[NH2+][C@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000481769675 564523507 /nfs/dbraw/zinc/52/35/07/564523507.db2.gz QFFMELIZAIDFIK-HNNXBMFYSA-N 1 0 393.322 2.910 20 0 GFADRO COc1ncc(C(=O)NC2CC[NH+](C3CCCC3)CC2)cc1Br ZINC000570836705 564523306 /nfs/dbraw/zinc/52/33/06/564523306.db2.gz LCNZRTUAWITLEI-UHFFFAOYSA-N 1 0 382.302 2.990 20 0 GFADRO C[N@@H+]1CCC[C@H]2CN(S(=O)(=O)c3cccc4c(Cl)ccnc43)CC[C@H]21 ZINC000517072423 564523387 /nfs/dbraw/zinc/52/33/87/564523387.db2.gz FFNPICZMFILSMA-XJKSGUPXSA-N 1 0 379.913 2.993 20 0 GFADRO C[NH+](C)[C@@]1(CNC(=O)N2CCC(C(F)(F)F)(C(F)(F)F)C2)CCSC1 ZINC000481799487 564524043 /nfs/dbraw/zinc/52/40/43/564524043.db2.gz WSBPXEKASVMHOL-LLVKDONJSA-N 1 0 393.397 2.950 20 0 GFADRO C[NH+](C)CCOc1ccc(CCNC(=O)c2cc(Br)c[nH]2)cc1 ZINC000517080278 564524039 /nfs/dbraw/zinc/52/40/39/564524039.db2.gz NZLUXZIPGVYSMP-UHFFFAOYSA-N 1 0 380.286 2.690 20 0 GFADRO C[NH+](C)CCOc1ccc(CCNC(=O)c2ccc(Br)o2)cc1 ZINC000517081855 564524558 /nfs/dbraw/zinc/52/45/58/564524558.db2.gz UTPTUPOORSJYMR-UHFFFAOYSA-N 1 0 381.270 2.955 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000517139240 564525053 /nfs/dbraw/zinc/52/50/53/564525053.db2.gz CWBKTCSPYRNHAK-RYUDHWBXSA-N 1 0 385.306 2.511 20 0 GFADRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)c1nn(-c2cccc(Br)c2)c2c1CCC2 ZINC000517150381 564525162 /nfs/dbraw/zinc/52/51/62/564525162.db2.gz MEJYRWZXFJNLGV-VXGBXAGGSA-N 1 0 391.313 2.979 20 0 GFADRO O[C@H](C[NH2+][C@@H]1C[C@@H]2OCCC[C@@H]12)COc1ccc(Cl)cc1Br ZINC000517129635 564525166 /nfs/dbraw/zinc/52/51/66/564525166.db2.gz GEBBMURATWXBAL-FIRUKDTASA-N 1 0 390.705 2.999 20 0 GFADRO CO[C@H]1CCN(C(=O)Nc2cc(-c3ccc(Cl)s3)nn2C)[C@H](C[NH3+])C1 ZINC000570909015 564527029 /nfs/dbraw/zinc/52/70/29/564527029.db2.gz AOMPTKPEOTWBAT-QWRGUYRKSA-N 1 0 383.905 2.772 20 0 GFADRO CC[C@H](NCC(C)(C)C[NH+](C)C)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000481928627 564527657 /nfs/dbraw/zinc/52/76/57/564527657.db2.gz AKNUUJHWESOAPW-HNNXBMFYSA-N 1 0 375.966 2.877 20 0 GFADRO O=C1NC(=O)C2(CCC([NH2+]CCCOc3ccc(Cl)cc3Cl)CC2)N1 ZINC000517223216 564528187 /nfs/dbraw/zinc/52/81/87/564528187.db2.gz JMABYULRAQJMAM-UHFFFAOYSA-N 1 0 386.279 2.873 20 0 GFADRO C[N@@H+]1CCC[C@@H](CNC(=O)c2c(O)cnc3c(Br)cccc32)C1 ZINC000517266399 564529989 /nfs/dbraw/zinc/52/99/89/564529989.db2.gz SWMLVZNZFHMUOO-NSHDSACASA-N 1 0 378.270 2.775 20 0 GFADRO CC[NH+](CC)CC[C@H](CO)NC(=O)[C@@H](C)Oc1cc(Cl)cc(Cl)c1 ZINC000570989541 564530857 /nfs/dbraw/zinc/53/08/57/564530857.db2.gz HFQSHSHBEGGTGS-IUODEOHRSA-N 1 0 377.312 2.970 20 0 GFADRO CC1(C)CC[C@@H]([NH2+]CCN2C(=O)CNC2=O)c2cc(Br)ccc21 ZINC000481999559 564531386 /nfs/dbraw/zinc/53/13/86/564531386.db2.gz HFFBTHQKYXNWGV-CQSZACIVSA-N 1 0 380.286 2.703 20 0 GFADRO C[C@@H](CNC(=O)c1cnn(-c2cccc(Br)c2)c1)[NH+]1CCCC1 ZINC000517368640 564532256 /nfs/dbraw/zinc/53/22/56/564532256.db2.gz YIQPRFKJRZVNEO-ZDUSSCGKSA-N 1 0 377.286 2.849 20 0 GFADRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)Nc1ccc(Cl)c(S(C)(=O)=O)c1 ZINC000482049793 564532656 /nfs/dbraw/zinc/53/26/56/564532656.db2.gz NXONWZQRNQIIGU-WFASDCNBSA-N 1 0 385.917 2.834 20 0 GFADRO C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)[NH+]1CCC(CCO)CC1 ZINC000517383000 564532985 /nfs/dbraw/zinc/53/29/85/564532985.db2.gz FZOSZVAMFGOVGK-AWEZNQCLSA-N 1 0 383.330 2.890 20 0 GFADRO C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)c1ncc(Br)cc1Br ZINC000571042325 564533210 /nfs/dbraw/zinc/53/32/10/564533210.db2.gz YMOZAKTZXAFCKR-APPZFPTMSA-N 1 0 377.080 2.558 20 0 GFADRO CC(C)(C)N1C[C@H]([NH2+]C[C@H](O)COc2c(Cl)cccc2Cl)CC1=O ZINC000571074106 564534199 /nfs/dbraw/zinc/53/41/99/564534199.db2.gz HHGSXENJLWKJQR-NEPJUHHUSA-N 1 0 375.296 2.722 20 0 GFADRO CC(C)(C)N1C[C@@H]([NH2+]C[C@@H](O)COc2c(Cl)cccc2Cl)CC1=O ZINC000571074107 564534493 /nfs/dbraw/zinc/53/44/93/564534493.db2.gz HHGSXENJLWKJQR-NWDGAFQWSA-N 1 0 375.296 2.722 20 0 GFADRO O=C(Nc1ccnn1Cc1cccc(Br)c1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000517535494 564535923 /nfs/dbraw/zinc/53/59/23/564535923.db2.gz JYNUZONEZJATQX-HIFRSBDPSA-N 1 0 390.285 2.520 20 0 GFADRO C[C@@H](C(=O)NCC(=O)Nc1cccc(Br)c1)[NH+]1[C@H](C)CC[C@H]1C ZINC000482165336 564536632 /nfs/dbraw/zinc/53/66/32/564536632.db2.gz CRXIELMOALTZOQ-UPJWGTAASA-N 1 0 382.302 2.765 20 0 GFADRO O=C(NCC[C@@H]1CCC[NH2+]C1)N[C@H]1CCN(c2ccccc2Br)C1 ZINC000517719265 564540500 /nfs/dbraw/zinc/54/05/00/564540500.db2.gz JLUDQYIPNHACTH-GJZGRUSLSA-N 1 0 395.345 2.717 20 0 GFADRO C[C@H](CNCc1cn(-c2ccccc2Br)nn1)C[NH+]1CCCC1 ZINC000571210963 564541159 /nfs/dbraw/zinc/54/11/59/564541159.db2.gz SALMEUQDQYHXAT-CQSZACIVSA-N 1 0 378.318 2.851 20 0 GFADRO C[C@H](O)CN1CCN(C(=O)Nc2ccc(OC(F)(F)F)c(Cl)c2)CC1 ZINC000517739728 564541404 /nfs/dbraw/zinc/54/14/04/564541404.db2.gz WEKCSICMNDEHCS-JTQLQIEISA-N 1 0 381.782 2.769 20 0 GFADRO CN1CCC[C@@H](C[NH2+][C@H]2CCS(=O)(=O)c3ccc(Br)cc32)C1 ZINC000571227487 564542110 /nfs/dbraw/zinc/54/21/10/564542110.db2.gz ZMJZVQDXRHUYDF-WFASDCNBSA-N 1 0 387.343 2.599 20 0 GFADRO Cn1cc(Br)c(CNC(=O)Nc2ccccc2CC[NH+](C)C)n1 ZINC000455221956 564543232 /nfs/dbraw/zinc/54/32/32/564543232.db2.gz FFINIKXAXWYBKK-UHFFFAOYSA-N 1 0 380.290 2.608 20 0 GFADRO CC(=O)NC1CCC([NH2+]C[C@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000571277137 564543434 /nfs/dbraw/zinc/54/34/34/564543434.db2.gz MNCVNXLFMQXMCF-RUXDESIVSA-N 1 0 375.296 2.770 20 0 GFADRO C[C@@H](CNC(=O)Nc1ccnn1Cc1cccc(Br)c1)[NH+](C)C ZINC000455223074 564543392 /nfs/dbraw/zinc/54/33/92/564543392.db2.gz WDDZTYHGEDICPG-LBPRGKRZSA-N 1 0 380.290 2.766 20 0 GFADRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(Br)c3c(c2)OCCCO3)[C@H]1OC ZINC000482536093 564544466 /nfs/dbraw/zinc/54/44/66/564544466.db2.gz PGAJCHZYFLPEMX-FRFSOERESA-N 1 0 386.286 2.892 20 0 GFADRO C[C@H](CNC(=O)[C@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1)[NH+]1CCCC1 ZINC000518037714 564545158 /nfs/dbraw/zinc/54/51/58/564545158.db2.gz KKBGAPQPBXGHDS-OLZOCXBDSA-N 1 0 384.307 2.947 20 0 GFADRO C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1 ZINC000482559702 564545451 /nfs/dbraw/zinc/54/54/51/564545451.db2.gz WPYVXAIYSFKAML-ZIAGYGMSSA-N 1 0 386.323 2.657 20 0 GFADRO CC(C)[N@@H+]1CCCC[C@H]1CN1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000518084328 564546183 /nfs/dbraw/zinc/54/61/83/564546183.db2.gz PCVIWMQQCOGOOW-KRWDZBQOSA-N 1 0 385.599 2.754 20 0 GFADRO CCN(CC)S(=O)(=O)CC[NH2+][C@H](C)c1ccc(OC(F)F)c(OC)c1 ZINC000482642299 564547088 /nfs/dbraw/zinc/54/70/88/564547088.db2.gz AZGNCCABBAKMRN-GFCCVEGCSA-N 1 0 380.457 2.619 20 0 GFADRO CN(C(=O)CCC[S@@](=O)c1ccc(Br)cc1)[C@@H](C[NH3+])C1CC1 ZINC000571395290 564549196 /nfs/dbraw/zinc/54/91/96/564549196.db2.gz XRZJQBCZJOGTHI-OYHNWAKOSA-N 1 0 387.343 2.533 20 0 GFADRO CN(C)S(=O)(=O)c1ccc(C[NH2+][C@@H](c2ccccc2)[C@H]2CCOC2)s1 ZINC000571397314 564549291 /nfs/dbraw/zinc/54/92/91/564549291.db2.gz DHUIMZUBRIVKAC-YJBOKZPZSA-N 1 0 380.535 2.866 20 0 GFADRO C[C@@H](CNC(=O)N1CCO[C@H](c2ccc(Br)cc2)[C@H]1C)[NH+](C)C ZINC000455429705 564553135 /nfs/dbraw/zinc/55/31/35/564553135.db2.gz JKFPPVNOXSSEMK-ZENOOKHLSA-N 1 0 384.318 2.871 20 0 GFADRO CC[C@@H]1C[N@H+](CC)CCN1C(=O)Nc1cccc(C(=O)NC)c1Br ZINC000455440374 564554681 /nfs/dbraw/zinc/55/46/81/564554681.db2.gz YHECTRHRWQLXIZ-GFCCVEGCSA-N 1 0 397.317 2.757 20 0 GFADRO Cc1cc(NC(=O)NC[C@@H]2CCCC[N@@H+]2CCO)c(F)cc1Br ZINC000455433975 564554751 /nfs/dbraw/zinc/55/47/51/564554751.db2.gz YUVDTOHTUQABMF-LBPRGKRZSA-N 1 0 388.281 2.865 20 0 GFADRO [NH3+]C[C@@H]1CC[C@H](NC(=O)CCC[S@@](=O)c2ccc(Br)cc2)C1 ZINC000571510348 564554783 /nfs/dbraw/zinc/55/47/83/564554783.db2.gz HBOSIURQYJGMIL-UZRORNOBSA-N 1 0 387.343 2.581 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CC[NH2+]C[C@@](C)(O)C(F)(F)F ZINC000571551431 564556574 /nfs/dbraw/zinc/55/65/74/564556574.db2.gz MOGSXSMEFJLPMG-CYBMUJFWSA-N 1 0 383.208 2.989 20 0 GFADRO CC(C)[N@H+](C)C[C@H](C)NC(=O)C(=O)Nc1ccc(Br)cc1Cl ZINC000571571807 564557404 /nfs/dbraw/zinc/55/74/04/564557404.db2.gz RLWYPJDVWUZRHS-JTQLQIEISA-N 1 0 390.709 2.886 20 0 GFADRO C[C@@H]1OCC[C@H]1[N@H+](CCO)CCOc1ccc(Cl)cc1Br ZINC000483264582 564562170 /nfs/dbraw/zinc/56/21/70/564562170.db2.gz FQLPFRDZXKAXII-SMDDNHRTSA-N 1 0 378.694 2.953 20 0 GFADRO CC1CC[NH+](C[C@H](O)CNC(=O)NCCc2cccc(Cl)c2Cl)CC1 ZINC000518814049 564562494 /nfs/dbraw/zinc/56/24/94/564562494.db2.gz LWNQHFMAHRZLRE-OAHLLOKOSA-N 1 0 388.339 2.928 20 0 GFADRO CN(CC[C@@H]1CCC[N@@H+]1C)Cc1cn(-c2cccc(Br)c2)nn1 ZINC000483350687 564564886 /nfs/dbraw/zinc/56/48/86/564564886.db2.gz HQZNNOCRJDNDCZ-INIZCTEOSA-N 1 0 378.318 2.946 20 0 GFADRO Cc1ccc(F)c(Br)c1NC(=O)N1CC[N@@H+](C[C@H](C)O)C[C@@H]1C ZINC000455692904 564565976 /nfs/dbraw/zinc/56/59/76/564565976.db2.gz KTZMVQJPTCMXHM-RYUDHWBXSA-N 1 0 388.281 2.815 20 0 GFADRO Cc1c([C@H]2OCC[C@@H]2[NH2+]Cc2cnc3ccc(Br)cn23)cnn1C ZINC000548666441 564569173 /nfs/dbraw/zinc/56/91/73/564569173.db2.gz VAJZEIVOGHCUTQ-DOTOQJQBSA-N 1 0 390.285 2.759 20 0 GFADRO C[C@@H]1CN(C(=O)[C@@H]2CCc3cc(Br)ccc32)CC[N@@H+]1CC(C)(C)O ZINC000571883148 564570783 /nfs/dbraw/zinc/57/07/83/564570783.db2.gz FLYZGUDLEUXZBM-CXAGYDPISA-N 1 0 395.341 2.783 20 0 GFADRO O=C(NC[C@H]1C[NH2+]CCCO1)Nc1cc(Br)ccc1N1CCCC1 ZINC000571982141 564575611 /nfs/dbraw/zinc/57/56/11/564575611.db2.gz RIDDRGOKJUYETD-CQSZACIVSA-N 1 0 397.317 2.549 20 0 GFADRO O=S(=O)(c1cc(Br)ccc1F)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000519374180 564576116 /nfs/dbraw/zinc/57/61/16/564576116.db2.gz LXOWZIJFTZDSJS-CYBMUJFWSA-N 1 0 391.306 2.837 20 0 GFADRO Cc1ccc(-c2nc(NC(=O)C(=O)NC3CC[NH+](C)CC3)sc2C)s1 ZINC000519410124 564577214 /nfs/dbraw/zinc/57/72/14/564577214.db2.gz BZRDJLDGBMCUNI-UHFFFAOYSA-N 1 0 378.523 2.637 20 0 GFADRO C[C@H](CNC(=O)N(C)CC[NH+]1CCCC1)Oc1ccccc1Br ZINC000483998896 564579955 /nfs/dbraw/zinc/57/99/55/564579955.db2.gz BRHMXOHNRURBKQ-CQSZACIVSA-N 1 0 384.318 2.954 20 0 GFADRO CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)NCCNc1cccc(Br)c1 ZINC000519539294 564580570 /nfs/dbraw/zinc/58/05/70/564580570.db2.gz FJDAEQIWUFGQOT-DAYGRLMNSA-N 1 0 396.329 2.510 20 0 GFADRO C[C@H]1[C@H](C)[N@H+](C)CCN1Cc1nc(Cc2cccc(Br)c2)no1 ZINC000519557200 564580875 /nfs/dbraw/zinc/58/08/75/564580875.db2.gz JOLSAVKWPVHOLM-STQMWFEESA-N 1 0 379.302 2.947 20 0 GFADRO C[N@@H+]1CCC[C@@H](CNC(=O)N[C@H]2CCN(c3cccc(Br)c3)C2)C1 ZINC000519577498 564581907 /nfs/dbraw/zinc/58/19/07/564581907.db2.gz RTFLXGVZBBWXJO-HOCLYGCPSA-N 1 0 395.345 2.669 20 0 GFADRO CN(C(=O)NCC[C@@H]1CCC[NH2+]C1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000519592932 564582429 /nfs/dbraw/zinc/58/24/29/564582429.db2.gz PEFZGPYXYLEPIE-YMRXKLBXSA-N 1 0 386.323 2.983 20 0 GFADRO O=C(CC[NH2+]C1CC1)N1CCC(C(=O)Nc2cccc(Br)c2)CC1 ZINC000572256790 564587231 /nfs/dbraw/zinc/58/72/31/564587231.db2.gz VVXCLSMVOADKGN-UHFFFAOYSA-N 1 0 394.313 2.768 20 0 GFADRO CSCC[C@@H](CO)[NH2+]C[C@H](O)COc1ccc(Cl)cc1Br ZINC000519822793 564592198 /nfs/dbraw/zinc/59/21/98/564592198.db2.gz DRYPKYADPVWDET-RYUDHWBXSA-N 1 0 398.750 2.546 20 0 GFADRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)[C@@H](c1ccc(Br)cc1)N1CCCC1 ZINC000519825856 564592260 /nfs/dbraw/zinc/59/22/60/564592260.db2.gz NTSMUBDQBAYGOJ-CKEIUWERSA-N 1 0 380.330 2.782 20 0 GFADRO C[NH+](C)CCCC(C)(C)NC(=O)c1ccc(I)cn1 ZINC000456203713 564594289 /nfs/dbraw/zinc/59/42/89/564594289.db2.gz WBGXDXAGODVQRW-UHFFFAOYSA-N 1 0 375.254 2.536 20 0 GFADRO Cc1cc(OC[C@H](O)C[NH2+][C@@H]2CS(=O)(=O)C[C@@H]2C)c(C(C)C)cc1Cl ZINC000572476848 564596068 /nfs/dbraw/zinc/59/60/68/564596068.db2.gz OFOMWGJNIWEPRX-JJRVBVJISA-N 1 0 389.945 2.534 20 0 GFADRO Cc1ccc(CCC(=O)N2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)c(Br)c1 ZINC000456238201 564596097 /nfs/dbraw/zinc/59/60/97/564596097.db2.gz JCNOWCUECDBFIO-GASCZTMLSA-N 1 0 383.330 2.604 20 0 GFADRO Cc1cc(C(=O)N(CC[NH+](C)C)Cc2ccc(Br)cc2)nn1C ZINC000520104925 564596719 /nfs/dbraw/zinc/59/67/19/564596719.db2.gz ULKSMBDJBCLDNP-UHFFFAOYSA-N 1 0 379.302 2.695 20 0 GFADRO CN(C(=O)c1ccc(-n2cc(Br)cn2)cc1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000520371582 564602881 /nfs/dbraw/zinc/60/28/81/564602881.db2.gz YQWAWTLAMOGWHZ-QGZVFWFLSA-N 1 0 389.297 2.944 20 0 GFADRO C[C@@H]1C[N@H+](C)CCN1c1ccc(Br)cc1NC(=O)COC(F)F ZINC000456372923 564603317 /nfs/dbraw/zinc/60/33/17/564603317.db2.gz OHWZMGRPQJFOJN-SNVBAGLBSA-N 1 0 392.244 2.767 20 0 GFADRO C[C@@H]1C[N@H+](C)CCN1c1ccc(Br)cc1NC(=O)[C@H]1CCCN1C ZINC000456371795 564603505 /nfs/dbraw/zinc/60/35/05/564603505.db2.gz NEQJZTKYAAWSPC-CXAGYDPISA-N 1 0 395.345 2.622 20 0 GFADRO CC[C@H]1C[N@H+](CC)CCN1C(=O)c1ccc(I)c(O)c1 ZINC000456374236 564603624 /nfs/dbraw/zinc/60/36/24/564603624.db2.gz IVWAACQFLVOXMU-LBPRGKRZSA-N 1 0 388.249 2.553 20 0 GFADRO COC[C@@H](C)C(=O)Nc1cc(Br)ccc1N1CC[N@H+](C)C[C@H]1C ZINC000456379570 564604240 /nfs/dbraw/zinc/60/42/40/564604240.db2.gz VPCPHPQBSYEIMU-CHWSQXEVSA-N 1 0 384.318 2.810 20 0 GFADRO CC[C@@H]([NH2+][C@H]1CCc2cccc(Br)c2C1)C(=O)N1CCOCC1 ZINC000549779255 564605037 /nfs/dbraw/zinc/60/50/37/564605037.db2.gz ORPMSTKYZXXZAB-WMLDXEAASA-N 1 0 381.314 2.533 20 0 GFADRO C[NH+](C)CCOC1CCN(C(=O)CCc2cccc(Br)c2)CC1 ZINC000485140039 564608161 /nfs/dbraw/zinc/60/81/61/564608161.db2.gz QUNGCLKNWIZWMZ-UHFFFAOYSA-N 1 0 383.330 2.951 20 0 GFADRO Cc1ccc(S(=O)(=O)NCC[NH2+][C@H]2Cc3[nH]c4ccccc4c3C2)s1 ZINC000572823348 564612108 /nfs/dbraw/zinc/61/21/08/564612108.db2.gz BFKLNYHKEYWTDA-CYBMUJFWSA-N 1 0 375.519 2.573 20 0 GFADRO CCC[C@@H](C(=O)NC[C@@H](CO)Cc1cc(Br)ccc1F)[NH+](C)C ZINC000456497207 564613475 /nfs/dbraw/zinc/61/34/75/564613475.db2.gz YQCPNVKLOYJMEW-LRDDRELGSA-N 1 0 389.309 2.586 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1cc(Cl)ccc1Br ZINC000485445674 564615661 /nfs/dbraw/zinc/61/56/61/564615661.db2.gz YVVAWUAGOHWDRX-NSHDSACASA-N 1 0 381.723 2.865 20 0 GFADRO CO[C@@H]1[C@@H](C)[C@H]([NH2+]Cc2cc(=O)n3cc(Br)ccc3n2)C1(C)C ZINC000520969137 564616657 /nfs/dbraw/zinc/61/66/57/564616657.db2.gz ADNPWBSJFRABCD-CIISACIHSA-N 1 0 380.286 2.606 20 0 GFADRO C[C@@]1(n2cc(C[NH2+]Cc3cc4ccccc4s3)cn2)CCS(=O)(=O)C1 ZINC000550226867 564618516 /nfs/dbraw/zinc/61/85/16/564618516.db2.gz XEBXCBLRBJULMK-GOSISDBHSA-N 1 0 375.519 2.921 20 0 GFADRO CSC[C@@H](C)C(=O)Nc1cc(Br)cnc1N1CCN(C)CC1 ZINC000456588598 564619697 /nfs/dbraw/zinc/61/96/97/564619697.db2.gz NREYNHABETYCCU-LLVKDONJSA-N 1 0 387.347 2.534 20 0 GFADRO CC(C)[NH+](CCNC(=O)C(=O)N[C@H](C)c1ccc(Br)cc1)C(C)C ZINC000550353103 564621446 /nfs/dbraw/zinc/62/14/46/564621446.db2.gz STELCQPISMPUBA-CQSZACIVSA-N 1 0 398.345 2.861 20 0 GFADRO CCS[C@@H]1CC[C@@H](N(C)C(=O)C(=O)NC[C@H](c2cccs2)[NH+](C)C)C1 ZINC000550379721 564622410 /nfs/dbraw/zinc/62/24/10/564622410.db2.gz ZWYNIBXSDBZMHC-RBSFLKMASA-N 1 0 383.583 2.600 20 0 GFADRO Cc1c(CNC(=O)C(=O)N2CCC[C@@H](C[NH3+])C2)sc2ccc(Cl)cc12 ZINC000573099117 564622806 /nfs/dbraw/zinc/62/28/06/564622806.db2.gz GATSJLGDJVUKNU-LBPRGKRZSA-N 1 0 379.913 2.677 20 0 GFADRO CC(C)[C@@H]1CN([C@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2=O)CC[N@@H+]1C ZINC000485729826 564624366 /nfs/dbraw/zinc/62/43/66/564624366.db2.gz HWAKJGLSQAJURI-GJZGRUSLSA-N 1 0 384.307 2.897 20 0 GFADRO O=C(NCCCc1ccc(Br)cc1F)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000485775270 564625119 /nfs/dbraw/zinc/62/51/19/564625119.db2.gz LAFZHEODNFPHKZ-LBPRGKRZSA-N 1 0 395.276 2.751 20 0 GFADRO O=S(=O)(N[C@@H]1CCCN(Cc2ccc(F)cc2Cl)C1)N1CCCCC1 ZINC000521376912 564625921 /nfs/dbraw/zinc/62/59/21/564625921.db2.gz RQRGGGNCSJWJJX-MRXNPFEDSA-N 1 0 389.924 2.764 20 0 GFADRO COc1cc(C(=O)NC[C@@H]2CC[N@@H+](C(C)C)C2)cc(Br)c1OC ZINC000550589506 564626843 /nfs/dbraw/zinc/62/68/43/564626843.db2.gz VOYDRNRMOPJKAK-LBPRGKRZSA-N 1 0 385.302 2.926 20 0 GFADRO COCCN(CC[NH+](C)C)C(=O)c1c(Cl)cc(F)cc1Br ZINC000521439987 564627536 /nfs/dbraw/zinc/62/75/36/564627536.db2.gz PSKJLDQWNWZBPL-UHFFFAOYSA-N 1 0 381.673 2.892 20 0 GFADRO CCn1c2cc(Br)ccc2nc1NC(=O)C[C@H]1CSCC[NH2+]1 ZINC000573204467 564628257 /nfs/dbraw/zinc/62/82/57/564628257.db2.gz WTIHDROBWCCZON-NSHDSACASA-N 1 0 383.315 2.852 20 0 GFADRO O=C([C@H]1CC[N@@H+](Cc2cc(Br)cc3c2OCC3)C1)N1CCCC1 ZINC000573249246 564629987 /nfs/dbraw/zinc/62/99/87/564629987.db2.gz BJYKHXHIXGWCBL-AWEZNQCLSA-N 1 0 379.298 2.828 20 0 GFADRO Cc1c(Br)cccc1C[C@H](CO)CNC(=O)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000456726971 564630280 /nfs/dbraw/zinc/63/02/80/564630280.db2.gz RJXDWRRINKVCPA-KSSFIOAISA-N 1 0 395.341 2.652 20 0 GFADRO C[C@@H](Oc1ccccc1Br)C(=O)N(CC[NH+](C)C)C[C@H]1CCCO1 ZINC000485939677 564631902 /nfs/dbraw/zinc/63/19/02/564631902.db2.gz MULNIGGWZVRHSK-HUUCEWRRSA-N 1 0 399.329 2.786 20 0 GFADRO COC1CC[NH+](C(C)(C)CNS(=O)(=O)c2ccc(F)cc2Cl)CC1 ZINC000521691864 564633787 /nfs/dbraw/zinc/63/37/87/564633787.db2.gz ZBFABNUXBMYVAR-UHFFFAOYSA-N 1 0 378.897 2.647 20 0 GFADRO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000550902663 564634200 /nfs/dbraw/zinc/63/42/00/564634200.db2.gz UXYMNQDIVFTQEE-CYBMUJFWSA-N 1 0 384.307 2.552 20 0 GFADRO CS(=O)(=O)C[C@H]([NH2+][C@@H]1CCCN(Cc2ccc(F)cc2Cl)C1)C1CC1 ZINC000550885051 564634390 /nfs/dbraw/zinc/63/43/90/564634390.db2.gz CSZPDXPPJXQAFW-AEFFLSMTSA-N 1 0 388.936 2.856 20 0 GFADRO C[C@H](NC(=O)[C@@H]1C[N@H+](C)C[C@H]1C)c1cc2c(cc1Br)OCCO2 ZINC000485974325 564634617 /nfs/dbraw/zinc/63/46/17/564634617.db2.gz CTLSGKFUWIFPTP-NTZNESFSSA-N 1 0 383.286 2.595 20 0 GFADRO CC(C)[N@@H+]1CC[C@H](CNC(=O)C[C@@H]2Sc3ccc(Cl)cc3NC2=O)C1 ZINC000521706971 564635180 /nfs/dbraw/zinc/63/51/80/564635180.db2.gz BERIKNHCLQJBRY-WBMJQRKESA-N 1 0 381.929 2.989 20 0 GFADRO C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)N(C)Cc1ccc(Cl)c(Cl)c1 ZINC000551073836 564637194 /nfs/dbraw/zinc/63/71/94/564637194.db2.gz KLHLERUPFJSXGN-CYBMUJFWSA-N 1 0 386.323 2.942 20 0 GFADRO CC[NH+]1CCN(CC(C)(C)NC(=O)c2ccc(F)cc2Br)CC1 ZINC000456909423 564638327 /nfs/dbraw/zinc/63/83/27/564638327.db2.gz YUCJDGYLAMKGLE-UHFFFAOYSA-N 1 0 386.309 2.734 20 0 GFADRO C[C@@H](CNS(=O)(=O)c1cccc(Br)c1Cl)[N@H+](C)C1CC1 ZINC000551147467 564639127 /nfs/dbraw/zinc/63/91/27/564639127.db2.gz CXESVVVRPDTUEQ-VIFPVBQESA-N 1 0 381.723 2.864 20 0 GFADRO CN1CCC(CNC(=O)COc2ccsc2Cl)([NH+]2CCCCC2)CC1 ZINC000573465398 564639621 /nfs/dbraw/zinc/63/96/21/564639621.db2.gz BOCKQOSKJSIUCE-UHFFFAOYSA-N 1 0 385.961 2.847 20 0 GFADRO OC1(C[NH2+]Cc2cccc(I)c2)Cc2ccccc2C1 ZINC000551188651 564641113 /nfs/dbraw/zinc/64/11/13/564641113.db2.gz SFVBATKEPIZEQL-UHFFFAOYSA-N 1 0 379.241 2.911 20 0 GFADRO CC(=O)N[C@H](CC(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1)c1ccc(Br)cc1 ZINC000573565310 564644133 /nfs/dbraw/zinc/64/41/33/564644133.db2.gz CILNIQLBGLTTEV-KBRIMQKVSA-N 1 0 396.329 2.650 20 0 GFADRO CS(=O)(=O)[C@H]1CCC[C@H]([NH2+]Cc2cc(Cl)ccc2N2CCOCC2)C1 ZINC000551302976 564645787 /nfs/dbraw/zinc/64/57/87/564645787.db2.gz ZLSPHFISMIKXCD-IRXDYDNUSA-N 1 0 386.945 2.622 20 0 GFADRO COC(=O)c1cc(Br)cc(C(=O)N(C)[C@@H]2CC[N@@H+](C(C)C)C2)c1 ZINC000457087128 564645984 /nfs/dbraw/zinc/64/59/84/564645984.db2.gz JIYKIGZZXQQNOR-OAHLLOKOSA-N 1 0 383.286 2.790 20 0 GFADRO CN(C(=O)Cn1cc(Br)cn1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457092300 564646149 /nfs/dbraw/zinc/64/61/49/564646149.db2.gz XBEZNRNDDVFJFL-UHFFFAOYSA-N 1 0 397.239 2.521 20 0 GFADRO O[C@H](C[NH2+]C[C@@H](O)Cc1cccc(F)c1)COc1cccc(Br)c1 ZINC000573683731 564649683 /nfs/dbraw/zinc/64/96/83/564649683.db2.gz FUPXUGGWKSKFLU-DLBZAZTESA-N 1 0 398.272 2.521 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)NCC[N@H+]2CCCC[C@H]2C)cc1Br ZINC000486369740 564649907 /nfs/dbraw/zinc/64/99/07/564649907.db2.gz KAISOPUUBGQOEQ-CQSZACIVSA-N 1 0 396.329 2.995 20 0 GFADRO C[N@H+](CCCCNC(=O)[C@H]1CC(=O)Nc2ccc(Br)cc21)C1CC1 ZINC000457167684 564650226 /nfs/dbraw/zinc/65/02/26/564650226.db2.gz MNCZREAHMZQPIU-HNNXBMFYSA-N 1 0 394.313 2.866 20 0 GFADRO C[N@H+](CCCCNC(=O)Cc1cccc(I)c1)C1CC1 ZINC000457169795 564650524 /nfs/dbraw/zinc/65/05/24/564650524.db2.gz PGEZINYZXSJRKC-UHFFFAOYSA-N 1 0 386.277 2.824 20 0 GFADRO C[C@@H](CC[NH+](C)C)NC(=O)NC[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000522405173 564650897 /nfs/dbraw/zinc/65/08/97/564650897.db2.gz GWYWPQMSGNPZGJ-LSDHHAIUSA-N 1 0 397.361 2.915 20 0 GFADRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)Nc1ccc(Br)c(C(F)(F)F)c1 ZINC000573723726 564651732 /nfs/dbraw/zinc/65/17/32/564651732.db2.gz YPRHZERVRHCCDO-HTQZYQBOSA-N 1 0 396.207 2.648 20 0 GFADRO C[NH+](C)CC(C)(C)NC(=O)c1cc(F)c(F)cc1I ZINC000457202357 564652306 /nfs/dbraw/zinc/65/23/06/564652306.db2.gz HEOODDDWCZIOCN-UHFFFAOYSA-N 1 0 382.192 2.639 20 0 GFADRO CC(C)c1ccc(Cl)c(S(=O)(=O)N2CCN(CC(C)(C)O)[C@@H](C)C2)c1 ZINC000551516084 564652422 /nfs/dbraw/zinc/65/24/22/564652422.db2.gz WHOGIOHXNHKSLC-AWEZNQCLSA-N 1 0 388.961 2.929 20 0 GFADRO CSCC[C@@H]([NH3+])C(=O)NCc1ccc(I)c(Cl)c1 ZINC000573799759 564654402 /nfs/dbraw/zinc/65/44/02/564654402.db2.gz XFDRLYQJRGVZNT-LLVKDONJSA-N 1 0 398.697 2.641 20 0 GFADRO Cc1[nH+]ccc(NCC2CCN(S(=O)(=O)c3ccccc3)CC2)c1Cl ZINC000486569424 564656562 /nfs/dbraw/zinc/65/65/62/564656562.db2.gz XDAFMDCSXXWOSX-UHFFFAOYSA-N 1 0 379.913 2.978 20 0 GFADRO O[C@@H]1CC[C@@H]2CN(Cc3c(Br)cncc3Br)C[C@H]12 ZINC000573854674 564657114 /nfs/dbraw/zinc/65/71/14/564657114.db2.gz UDWSHXUUKBNFQT-VYUIOLGVSA-N 1 0 376.092 2.809 20 0 GFADRO Cc1nsc(C)c1CN1CCN(Cc2c(C)nsc2C)[C@H](CCO)C1 ZINC000573860545 564657268 /nfs/dbraw/zinc/65/72/68/564657268.db2.gz XGPZLQMIAOTQGU-MRXNPFEDSA-N 1 0 380.583 2.902 20 0 GFADRO C[C@H](NS(=O)(=O)c1cncc(Cl)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000486595579 564657450 /nfs/dbraw/zinc/65/74/50/564657450.db2.gz OUKUTEZEBDDAAO-HOCLYGCPSA-N 1 0 379.913 2.924 20 0 GFADRO COCC[N@@H+]1CC[C@H](NC(=O)Nc2ccc(Br)cc2Cl)C1 ZINC000522846344 564657504 /nfs/dbraw/zinc/65/75/04/564657504.db2.gz YWASBTNTDMTXQO-NSHDSACASA-N 1 0 376.682 2.945 20 0 GFADRO C[C@@H](NC(=O)NC[C@@H]1CCC[N@@H+]1CCCO)c1ccc(Br)cc1 ZINC000457449963 564661768 /nfs/dbraw/zinc/66/17/68/564661768.db2.gz GXXHJCFSIUNYIK-CJNGLKHVSA-N 1 0 384.318 2.656 20 0 GFADRO CCC[N@@H+]1CC[C@@H](CNCCS(=O)(=O)c2cccc(Br)c2)C1 ZINC000573954726 564661965 /nfs/dbraw/zinc/66/19/65/564661965.db2.gz SUMDCVSPWDOWDE-AWEZNQCLSA-N 1 0 389.359 2.544 20 0 GFADRO C[C@H](NC(=O)NC[C@@H]1CCC[N@@H+]1CCCO)c1ccccc1Br ZINC000457457231 564662503 /nfs/dbraw/zinc/66/25/03/564662503.db2.gz LHRTWTYNPFJIFN-KBPBESRZSA-N 1 0 384.318 2.656 20 0 GFADRO COC(=O)c1ccc(C[NH2+]CCCOC[C@H]2CCCO2)c(Br)c1 ZINC000551788227 564663457 /nfs/dbraw/zinc/66/34/57/564663457.db2.gz ZXBCMZKMLWCPHA-OAHLLOKOSA-N 1 0 386.286 2.911 20 0 GFADRO COc1ccc([C@H](CN(C)C)[NH2+][C@H](C)Cn2cc(Br)cn2)cc1 ZINC000551802943 564664374 /nfs/dbraw/zinc/66/43/74/564664374.db2.gz ZHDYFPDGBHRLIM-DYVFJYSZSA-N 1 0 381.318 2.935 20 0 GFADRO C[C@@H](NC(=O)NC[C@@H]1CCCC[N@@H+]1CCO)c1cccc(Br)c1 ZINC000457690913 564669421 /nfs/dbraw/zinc/66/94/21/564669421.db2.gz XPCQPPRPPRCZBV-CJNGLKHVSA-N 1 0 384.318 2.656 20 0 GFADRO Cc1cc(C[NH2+][C@@H]2CCC(=O)N[C@H]2c2ccnn2C)sc1Br ZINC000486981277 564671344 /nfs/dbraw/zinc/67/13/44/564671344.db2.gz ADXXFMVXDLAYLF-BXUZGUMPSA-N 1 0 383.315 2.662 20 0 GFADRO CC[N@@H+]1CC[C@H]2OCCN(Cc3cc(Br)c4c(c3)OCCO4)[C@H]2C1 ZINC000552103452 564677606 /nfs/dbraw/zinc/67/76/06/564677606.db2.gz UPUGYDRBGMWPAI-JKSUJKDBSA-N 1 0 397.313 2.515 20 0 GFADRO O=C([C@@H]1CCCC[N@H+]1CCOc1ccc(Br)cc1)N1CCOCC1 ZINC000524309767 564680349 /nfs/dbraw/zinc/68/03/49/564680349.db2.gz GQFLMSCZLUWJCK-KRWDZBQOSA-N 1 0 397.313 2.541 20 0 GFADRO CN(C)c1cccnc1C[NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000574631710 564682621 /nfs/dbraw/zinc/68/26/21/564682621.db2.gz OQGNJTRACLAMLU-CQSZACIVSA-N 1 0 398.276 2.579 20 0 GFADRO COc1cc[nH+]c(N2CCN(C(=O)c3ccccc3Br)CC2)c1 ZINC000524589639 564683422 /nfs/dbraw/zinc/68/34/22/564683422.db2.gz SNSHLFIELPNJFA-UHFFFAOYSA-N 1 0 376.254 2.815 20 0 GFADRO CC[C@H]([NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1)c1ccc(OC(F)(F)F)cc1 ZINC000552276517 564684562 /nfs/dbraw/zinc/68/45/62/564684562.db2.gz ZRUYWRWEWRXTBO-WFASDCNBSA-N 1 0 380.432 2.907 20 0 GFADRO COCC[C@H](Cc1cccc(Br)c1)C(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000524633452 564684779 /nfs/dbraw/zinc/68/47/79/564684779.db2.gz HTZARLVVKXDLLM-HZPDHXFCSA-N 1 0 383.330 2.712 20 0 GFADRO COc1cc(NC(C)=O)ccc1[C@@H](C)[NH2+]CCn1cc(Br)cn1 ZINC000552333366 564686580 /nfs/dbraw/zinc/68/65/80/564686580.db2.gz CRGZIUVGODXZBV-LLVKDONJSA-N 1 0 381.274 2.963 20 0 GFADRO CC[C@@H]1[NH2+]CC[C@H]1C(=O)N(CCOC)Cc1sccc1Br ZINC000574754544 564688320 /nfs/dbraw/zinc/68/83/20/564688320.db2.gz DYHIONAYIIBLDE-YPMHNXCESA-N 1 0 375.332 2.874 20 0 GFADRO OC[C@@H]1CCC[C@H]([NH2+]C[C@@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000574917244 564689263 /nfs/dbraw/zinc/68/92/63/564689263.db2.gz YUCRXPMRVNEVKH-KWCYVHTRSA-N 1 0 392.721 2.983 20 0 GFADRO O=C(N[C@@H](c1cncc(Br)c1)C1CC1)N[C@H]1C[NH2+]CCC1(F)F ZINC000574975475 564689499 /nfs/dbraw/zinc/68/94/99/564689499.db2.gz AKVSOMNDCPLAKL-QWHCGFSZSA-N 1 0 389.244 2.592 20 0 GFADRO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)Nc1cc(Br)cc(C(=O)N2CCCC2)c1 ZINC000487567053 564691082 /nfs/dbraw/zinc/69/10/82/564691082.db2.gz CBTNBEFBZVEVLW-LRDDRELGSA-N 1 0 394.313 2.821 20 0 GFADRO Cc1ncc2c(n1)CC[C@H]([NH2+]C[C@H](O)COc1ccc(Cl)cc1Cl)C2 ZINC000575052950 564691631 /nfs/dbraw/zinc/69/16/31/564691631.db2.gz UXMRCYLIFGIJSE-GJZGRUSLSA-N 1 0 382.291 2.979 20 0 GFADRO CC(C)(C)C1=CC[N@H+](CCNC(=O)c2c[nH]c(=O)c(Br)c2)CC1 ZINC000552456120 564692258 /nfs/dbraw/zinc/69/22/58/564692258.db2.gz NYVLHMHXQGZENI-UHFFFAOYSA-N 1 0 382.302 2.958 20 0 GFADRO C[C@H]1C[C@H](NC(=O)C2CCN(C(=O)c3ccc(Cl)s3)CC2)CC[N@@H+]1C ZINC000525102699 564693045 /nfs/dbraw/zinc/69/30/45/564693045.db2.gz WHLRFMQMGGIHJL-GXTWGEPZSA-N 1 0 383.945 2.853 20 0 GFADRO Cc1cccc(CN(CC[NH+](C)C)C(=O)Cn2cc(Br)cn2)c1 ZINC000487620199 564693155 /nfs/dbraw/zinc/69/31/55/564693155.db2.gz DPJJJGYAUFZLIX-UHFFFAOYSA-N 1 0 379.302 2.544 20 0 GFADRO COCCN(Cc1cc(Br)cs1)C(=O)[C@@H]1C[N@H+](C)C[C@@H]1C ZINC000487633656 564693178 /nfs/dbraw/zinc/69/31/78/564693178.db2.gz LRZYWPUGXMFZNA-SMDDNHRTSA-N 1 0 375.332 2.683 20 0 GFADRO C[N@@H+]1CCC[C@H](CCNC(=O)Cc2cccc(I)c2)C1 ZINC000458228474 564694545 /nfs/dbraw/zinc/69/45/45/564694545.db2.gz UPUNQCYYKJKDRE-CYBMUJFWSA-N 1 0 386.277 2.682 20 0 GFADRO CN1CC[NH+](CCCCNC(=O)Nc2ccc(Br)c(F)c2)CC1 ZINC000525229385 564696904 /nfs/dbraw/zinc/69/69/04/564696904.db2.gz IATQHJHFAHUVPP-UHFFFAOYSA-N 1 0 387.297 2.737 20 0 GFADRO C[C@H](CNC(=O)N1CC[C@]2(CC[NH2+]C2)C1)Oc1ccc(Br)cc1 ZINC000575733718 564701691 /nfs/dbraw/zinc/70/16/91/564701691.db2.gz UMPPWLDIJVOOAD-DYVFJYSZSA-N 1 0 382.302 2.611 20 0 GFADRO C[N@@H+]1CC[C@@]2(CCN(C(=O)NCCc3cc(Br)ccc3F)C2)C1 ZINC000488037120 564702763 /nfs/dbraw/zinc/70/27/63/564702763.db2.gz UOAJQYHYNUSNPA-QGZVFWFLSA-N 1 0 384.293 2.868 20 0 GFADRO C[C@H](CNC(=O)c1cc(I)ccc1Cl)C[NH+](C)C ZINC000552884287 564703522 /nfs/dbraw/zinc/70/35/22/564703522.db2.gz NCSLMNIBRUEFNG-SECBINFHSA-N 1 0 380.657 2.872 20 0 GFADRO CC(C)[C@H]1CN(CC(=O)N(C)Cc2ccccc2Br)CC[N@@H+]1C ZINC000488096411 564703623 /nfs/dbraw/zinc/70/36/23/564703623.db2.gz SSMMDBZECPHKQR-QGZVFWFLSA-N 1 0 382.346 2.680 20 0 GFADRO C[C@@H](Cc1ccccc1Br)NC(=O)NC[C@@H]1CCC[N@@H+]1CCCO ZINC000458532081 564704268 /nfs/dbraw/zinc/70/42/68/564704268.db2.gz BBVTZPPAXSXATC-HOCLYGCPSA-N 1 0 398.345 2.526 20 0 GFADRO O=S(=O)(c1ccc(F)c(Br)c1)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000576016563 564704898 /nfs/dbraw/zinc/70/48/98/564704898.db2.gz FNWCQJTVHFRAKS-LSDHHAIUSA-N 1 0 391.306 2.883 20 0 GFADRO COC(=O)c1cc(NC(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)ccc1Br ZINC000552969315 564705381 /nfs/dbraw/zinc/70/53/81/564705381.db2.gz MJOMVDDZFJWVPD-CMPLNLGQSA-N 1 0 384.274 2.840 20 0 GFADRO C[C@H](Cc1ccccc1Br)NC(=O)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000458553047 564706238 /nfs/dbraw/zinc/70/62/38/564706238.db2.gz WZVKOQPGIWSDBM-GDBMZVCRSA-N 1 0 398.345 2.526 20 0 GFADRO CC[C@@H](CSC)N(C)CC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl ZINC000552993687 564706344 /nfs/dbraw/zinc/70/63/44/564706344.db2.gz MGFUPCJOHFIZGF-NSHDSACASA-N 1 0 378.947 2.755 20 0 GFADRO O=C1[C@@H](N2CC[NH2+]C[C@H]2c2ccccc2Cl)CCCN1CC(F)(F)F ZINC000576227770 564708214 /nfs/dbraw/zinc/70/82/14/564708214.db2.gz GKVIUTBLEHLDKS-GJZGRUSLSA-N 1 0 375.822 2.840 20 0 GFADRO CCSCC[C@@H](C)NC(=O)C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000576236544 564709111 /nfs/dbraw/zinc/70/91/11/564709111.db2.gz RJUBEWDAKWCQHR-CABCVRRESA-N 1 0 383.583 2.649 20 0 GFADRO C[C@H]1C[N@H+](C)CCN1c1ccc(Br)cc1NC(=O)[C@@H]1CCC(=O)C1 ZINC000576230046 564709257 /nfs/dbraw/zinc/70/92/57/564709257.db2.gz NDVLPJWIYHMEGF-QWHCGFSZSA-N 1 0 394.313 2.897 20 0 GFADRO Cc1cc(Br)cn2cc(CNC(=O)N[C@@H](C)c3ccn(C)n3)nc12 ZINC000458645123 564709763 /nfs/dbraw/zinc/70/97/63/564709763.db2.gz FRXYPIGYECVAAZ-NSHDSACASA-N 1 0 391.273 2.699 20 0 GFADRO C[C@H]([NH2+]C[C@@H](c1ccc(Cl)cc1)N(C)C)c1ccc(S(N)(=O)=O)cc1 ZINC000553098204 564709786 /nfs/dbraw/zinc/70/97/86/564709786.db2.gz NULCRGNRMIQDSW-UGSOOPFHSA-N 1 0 381.929 2.941 20 0 GFADRO Cc1cc(Br)cn2cc(CNC(=O)N3CC[C@H](CCCO)C3)nc12 ZINC000458642374 564709987 /nfs/dbraw/zinc/70/99/87/564709987.db2.gz DHVVABKSYFWHKU-ZDUSSCGKSA-N 1 0 395.301 2.709 20 0 GFADRO CC[C@H]1[NH2+]CC[C@H]1C(=O)NCc1ccc(I)c(Cl)c1 ZINC000576344500 564712802 /nfs/dbraw/zinc/71/28/02/564712802.db2.gz SYXFDTFEPKZMCN-ZWNOBZJWSA-N 1 0 392.668 2.949 20 0 GFADRO COc1cc(Br)ccc1CNC(=O)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000488501930 564712837 /nfs/dbraw/zinc/71/28/37/564712837.db2.gz HHUWFSGFBRIWLC-NHYWBVRUSA-N 1 0 382.302 2.740 20 0 GFADRO O=C(NCC[C@@H]1CCC[NH2+]C1)N[C@@H](c1cncc(Br)c1)C1CC1 ZINC000576451067 564713575 /nfs/dbraw/zinc/71/35/75/564713575.db2.gz NFFCDJGJZINDPB-BLLLJJGKSA-N 1 0 381.318 2.984 20 0 GFADRO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(c2ncccc2Br)CC1 ZINC000553289736 564714635 /nfs/dbraw/zinc/71/46/35/564714635.db2.gz JEVUFFUWTFMDDC-UHFFFAOYSA-N 1 0 397.361 2.765 20 0 GFADRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)c2nc3ccc(Br)cn3n2)C1 ZINC000576607148 564716699 /nfs/dbraw/zinc/71/66/99/564716699.db2.gz DDUHCFNOCRVVKC-ZDUSSCGKSA-N 1 0 394.317 2.590 20 0 GFADRO C[N@@H+]1CC[C@H](C(=O)N[C@H](CO)c2ccc(Br)cc2C(F)(F)F)C1 ZINC000526037561 564717458 /nfs/dbraw/zinc/71/74/58/564717458.db2.gz QRUBKCYIWZHZOL-TVQRCGJNSA-N 1 0 395.219 2.569 20 0 GFADRO Cc1nccc(NC(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)c1Br ZINC000526097445 564719839 /nfs/dbraw/zinc/71/98/39/564719839.db2.gz CNBSJQGYLOPXMI-HNNXBMFYSA-N 1 0 391.313 2.869 20 0 GFADRO CCOc1ccc(S(=O)(=O)N2C[C@H](SC)[C@@H]([NH+]3CCCC3)C2)cc1C ZINC000526085203 564719950 /nfs/dbraw/zinc/71/99/50/564719950.db2.gz BCQJVNRJNCLGPU-WMZOPIPTSA-N 1 0 384.567 2.594 20 0 GFADRO O=C(Cc1ccc(I)cc1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000488837606 564721612 /nfs/dbraw/zinc/72/16/12/564721612.db2.gz KYGVDLAESBBFFJ-MRXNPFEDSA-N 1 0 398.288 2.921 20 0 GFADRO CN(CC1CC[NH+](C)CC1)S(=O)(=O)c1c(F)cccc1OC(F)(F)F ZINC000553480531 564722062 /nfs/dbraw/zinc/72/20/62/564722062.db2.gz XMMLJIMAODSJAX-UHFFFAOYSA-N 1 0 384.395 2.687 20 0 GFADRO O=S(=O)(N[C@H]1CC[N@@H+]2CCCC[C@H]12)c1cc(Br)c(F)cc1F ZINC000488850043 564722536 /nfs/dbraw/zinc/72/25/36/564722536.db2.gz FQJNOLVJKVMEBB-QWHCGFSZSA-N 1 0 395.269 2.632 20 0 GFADRO CS(=O)(=O)C1CCC([NH2+]C[C@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000577099108 564724686 /nfs/dbraw/zinc/72/46/86/564724686.db2.gz WKDLWVCSTLDSGW-MOKVOYLWSA-N 1 0 396.336 2.679 20 0 GFADRO [NH3+]CCC1CCN(C(=O)C(=O)Nc2ccc(Br)c(Cl)c2)CC1 ZINC000577118164 564725464 /nfs/dbraw/zinc/72/54/64/564725464.db2.gz RNHHGMAFCPHQDK-UHFFFAOYSA-N 1 0 388.693 2.628 20 0 GFADRO O=S1(=O)CCC(O)(C[NH2+]Cc2ccc(Sc3ccccc3)cc2)CC1 ZINC000577126454 564726179 /nfs/dbraw/zinc/72/61/79/564726179.db2.gz YDLYPWBEEDEPLI-UHFFFAOYSA-N 1 0 377.531 2.867 20 0 GFADRO C[C@@H]1CN(C(=O)NC/C=C/c2ccc(Br)cc2)C[C@H](C)[N@H+]1CCO ZINC000458964091 564726680 /nfs/dbraw/zinc/72/66/80/564726680.db2.gz FJMSSMQQXPIEGB-MRINAFOASA-N 1 0 396.329 2.559 20 0 GFADRO COc1cc(C)c(S(=O)(=O)N2C[C@@H]([NH+]3CCCC3)[C@@H](SC)C2)c(C)c1 ZINC000527076719 564729212 /nfs/dbraw/zinc/72/92/12/564729212.db2.gz WNFVKMSRHBCJME-SJORKVTESA-N 1 0 384.567 2.512 20 0 GFADRO C[C@H](CNC(=O)C1(c2ccc(I)cc2)CC1)C[NH+](C)C ZINC000577210096 564729414 /nfs/dbraw/zinc/72/94/14/564729414.db2.gz MLAPIPQWWMERGC-GFCCVEGCSA-N 1 0 386.277 2.637 20 0 GFADRO O=c1ccc(Br)cn1CC[NH2+]Cc1cnc([C@H]2CCCO2)s1 ZINC000577261014 564731580 /nfs/dbraw/zinc/73/15/80/564731580.db2.gz VCOOTABUEDHVLS-CYBMUJFWSA-N 1 0 384.299 2.709 20 0 GFADRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)NCc2nc3c(cccc3Br)[nH]2)C1 ZINC000459134801 564732738 /nfs/dbraw/zinc/73/27/38/564732738.db2.gz JQDSRCVDQVZCJN-GFCCVEGCSA-N 1 0 394.317 2.950 20 0 GFADRO Cc1cc(Br)cc(C)c1CNC(=O)N1CC[N@@H+](C[C@@H](C)O)C[C@@H]1C ZINC000489260277 564734026 /nfs/dbraw/zinc/73/40/26/564734026.db2.gz RZNKQGMVJMPFIM-LSDHHAIUSA-N 1 0 398.345 2.662 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@H](NS(=O)(=O)Cc2ccccc2Br)C1 ZINC000553769692 564734918 /nfs/dbraw/zinc/73/49/18/564734918.db2.gz ZQJIHNHZMHUBAQ-UONOGXRCSA-N 1 0 375.332 2.741 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)C[N@@H+]1C[C@H](O)C[C@H]1[C@H]1CCCOC1 ZINC000577340893 564735471 /nfs/dbraw/zinc/73/54/71/564735471.db2.gz HXWDGMHFZUZOMB-LXZKKBNFSA-N 1 0 397.313 2.558 20 0 GFADRO CC(C)n1cnc(S(=O)(=O)NC[C@@H](C[NH+](C)C)c2ccc(Cl)cc2)c1 ZINC000577519890 564736355 /nfs/dbraw/zinc/73/63/55/564736355.db2.gz IFGJDKPIGAVISE-HNNXBMFYSA-N 1 0 384.933 2.741 20 0 GFADRO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)Nc1ccc(C(F)(F)F)c(Br)c1 ZINC000577601812 564737445 /nfs/dbraw/zinc/73/74/45/564737445.db2.gz UVLQOKHJZJSREG-NSHDSACASA-N 1 0 396.207 2.506 20 0 GFADRO CCN(CC)C(=O)C[N@@H+]1CCCN(Cc2cccc(O)c2Br)CC1 ZINC000459308983 564738376 /nfs/dbraw/zinc/73/83/76/564738376.db2.gz LBHDOUWIITWYSM-UHFFFAOYSA-N 1 0 398.345 2.531 20 0 GFADRO CC1(C)C[C@H]([NH2+]C[C@@H]2CS(=O)(=O)CCO2)c2cc(Br)ccc21 ZINC000527316541 564738977 /nfs/dbraw/zinc/73/89/77/564738977.db2.gz UOWNCTYCVXRXOO-DOMZBBRYSA-N 1 0 388.327 2.575 20 0 GFADRO C[NH+](C)CCN(Cc1ccsc1)C(=O)Nc1nnc(C(F)(F)F)s1 ZINC000459325810 564740109 /nfs/dbraw/zinc/74/01/09/564740109.db2.gz LYUZVXYYRVRMJJ-UHFFFAOYSA-N 1 0 379.433 3.214 20 0 GFADRO CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+]CCn2cc(Cl)cn2)cc1 ZINC000459343538 564741411 /nfs/dbraw/zinc/74/14/11/564741411.db2.gz GFIFEZAYRXVZKF-CQSZACIVSA-N 1 0 384.933 2.918 20 0 GFADRO CC(C)[C@](C)([NH2+]CCN1C(=O)N[C@H](C)C1=O)c1ccc(Br)cc1 ZINC000459426068 564743978 /nfs/dbraw/zinc/74/39/78/564743978.db2.gz IARMXOGEUASNPJ-PXAZEXFGSA-N 1 0 382.302 2.850 20 0 GFADRO CN(C)CC[N@H+](C)CCCN(C)C(=O)Nc1ccc(Br)c(F)c1 ZINC000459438826 564744989 /nfs/dbraw/zinc/74/49/89/564744989.db2.gz DTWFLFDEYVCAKQ-UHFFFAOYSA-N 1 0 389.313 2.935 20 0 GFADRO O=C([C@@H]1CC[N@@H+](CCOc2cc(F)cc(Br)c2)C1)N1CCCC1 ZINC000553943824 564746068 /nfs/dbraw/zinc/74/60/68/564746068.db2.gz LTEGJGRJSMKNQJ-CYBMUJFWSA-N 1 0 385.277 2.911 20 0 GFADRO C[C@@H]1NC(=O)N(CC[NH2+][C@@H]2c3cc(Br)ccc3CC2(C)C)C1=O ZINC000459485658 564747094 /nfs/dbraw/zinc/74/70/94/564747094.db2.gz DUSLTZHMQDRXPI-IINYFYTJSA-N 1 0 380.286 2.602 20 0 GFADRO [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)c1cnn(-c2cccc(Br)c2)c1 ZINC000579472907 564748563 /nfs/dbraw/zinc/74/85/63/564748563.db2.gz WDGMKODZKPTYHP-QFPCPSKISA-N 1 0 389.297 2.881 20 0 GFADRO CC(C)C[C@](C)(NCc1cn(CC(N)=O)nn1)c1cccc(Br)c1 ZINC000459534087 564749738 /nfs/dbraw/zinc/74/97/38/564749738.db2.gz UKBROXOUMNLYMM-KRWDZBQOSA-N 1 0 394.317 2.577 20 0 GFADRO Cc1nn(Cc2cccc(Br)c2)c(C)c1C(=O)N[C@@H](C)C[NH+](C)C ZINC000554136465 564751367 /nfs/dbraw/zinc/75/13/67/564751367.db2.gz KUJAYUURTGBJBU-LBPRGKRZSA-N 1 0 393.329 2.991 20 0 GFADRO CCOc1cc(C[NH2+][C@@H](CCSC)C(=O)NC)cc(Br)c1O ZINC000459572522 564751510 /nfs/dbraw/zinc/75/15/10/564751510.db2.gz VCVONDRTWCTADV-LBPRGKRZSA-N 1 0 391.331 2.511 20 0 GFADRO OC[C@H](C[NH2+]C1CCN(C2CC2)CC1)Cc1ccc(F)c(Br)c1 ZINC000459566107 564751551 /nfs/dbraw/zinc/75/15/51/564751551.db2.gz HCHPUDNIAFWTMY-AWEZNQCLSA-N 1 0 385.321 2.956 20 0 GFADRO C[C@@H](CNC(=O)N1CC[C@]2(CC[NH2+]C2)C1)Oc1cccc(Br)c1 ZINC000579814881 564752053 /nfs/dbraw/zinc/75/20/53/564752053.db2.gz LBNQLRVGWQYRTP-GUYCJALGSA-N 1 0 382.302 2.611 20 0 GFADRO CC[NH+]1CCN([C@H](C)CNCc2ncc(Cl)cc2Br)CC1 ZINC000527639657 564753067 /nfs/dbraw/zinc/75/30/67/564753067.db2.gz HQKGLCFDJRANMV-GFCCVEGCSA-N 1 0 375.742 2.613 20 0 GFADRO O[C@@H]1CCCC[C@@H]1[NH+]1CCC(NCc2ncc(Br)cc2F)CC1 ZINC000527672635 564754095 /nfs/dbraw/zinc/75/40/95/564754095.db2.gz BSBUQFGJMUGKHP-DLBZAZTESA-N 1 0 386.309 2.841 20 0 GFADRO O[C@@H]1CCCC[C@H]1[NH+]1CCC(NCc2ncc(Br)cc2F)CC1 ZINC000527672636 564754375 /nfs/dbraw/zinc/75/43/75/564754375.db2.gz BSBUQFGJMUGKHP-IAGOWNOFSA-N 1 0 386.309 2.841 20 0 GFADRO CCOC1CC([N@H+](C)C[C@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000554285599 564755650 /nfs/dbraw/zinc/75/56/50/564755650.db2.gz OLEZRUZRBCYOLS-BBBYJDLNSA-N 1 0 376.266 2.827 20 0 GFADRO O[C@@H]1CC[N@H+](Cc2ccccc2CNCc2ncc(Br)cc2F)C1 ZINC000527693857 564756390 /nfs/dbraw/zinc/75/63/90/564756390.db2.gz ZLLUDVFZUWNROP-MRXNPFEDSA-N 1 0 394.288 2.840 20 0 GFADRO CCS(=O)(=O)N1CCC(C[NH2+]Cc2ccsc2Br)CC1 ZINC000527694632 564756437 /nfs/dbraw/zinc/75/64/37/564756437.db2.gz YGVBUDVCGVJOHS-UHFFFAOYSA-N 1 0 381.361 2.662 20 0 GFADRO CNC(=O)[C@H](CCSC)[NH2+][C@H](C)Cc1ccc(Br)c(F)c1 ZINC000489911257 564757484 /nfs/dbraw/zinc/75/74/84/564757484.db2.gz ZFVLDBBVHXJTPJ-YGRLFVJLSA-N 1 0 377.323 2.977 20 0 GFADRO c1cc(-c2nc(C[NH2+]CC3(N4CCOCC4)CCOCC3)cs2)cs1 ZINC000459708473 564757703 /nfs/dbraw/zinc/75/77/03/564757703.db2.gz KDGCXZIHQPCITL-UHFFFAOYSA-N 1 0 379.551 2.843 20 0 GFADRO CN1CCN(C(=O)CC[NH+]2CCC(c3cccc(Br)c3)CC2)CC1 ZINC000580454307 564759229 /nfs/dbraw/zinc/75/92/29/564759229.db2.gz CQNJEEBWCDZETR-UHFFFAOYSA-N 1 0 394.357 2.793 20 0 GFADRO O=S(=O)(c1cccc(Br)c1Cl)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000489981382 564759337 /nfs/dbraw/zinc/75/93/37/564759337.db2.gz URDPPLDZYWNFNP-CQSZACIVSA-N 1 0 393.734 2.867 20 0 GFADRO O[C@H](C[NH2+]C1CCN(Cc2ccccc2Br)CC1)[C@H]1CCCO1 ZINC000527759329 564759473 /nfs/dbraw/zinc/75/94/73/564759473.db2.gz SVIYIAZIKCBXRC-QZTJIDSGSA-N 1 0 383.330 2.543 20 0 GFADRO Brc1ccc(CN2CCC[C@]3(CC[NH2+]C3)C2)c(N2CCOCC2)c1 ZINC000490026923 564760120 /nfs/dbraw/zinc/76/01/20/564760120.db2.gz BIADPELXLRWPAE-LJQANCHMSA-N 1 0 394.357 2.861 20 0 GFADRO Cc1cc(F)c(Br)cc1S(=O)(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000490007585 564760160 /nfs/dbraw/zinc/76/01/60/564760160.db2.gz WMXJQTSTXNOGOS-OAHLLOKOSA-N 1 0 391.306 2.661 20 0 GFADRO COc1cc(C[NH2+]C2(CO)CCSCC2)cc(OC)c1OCC(F)F ZINC000459728425 564760225 /nfs/dbraw/zinc/76/02/25/564760225.db2.gz NSIKXWMFNLYVMG-UHFFFAOYSA-N 1 0 377.453 2.695 20 0 GFADRO Cc1cc(S(=O)(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)c(C)cc1Br ZINC000490016281 564760299 /nfs/dbraw/zinc/76/02/99/564760299.db2.gz XVLCNPSVOPSIMR-INIZCTEOSA-N 1 0 387.343 2.830 20 0 GFADRO Cc1cc(S(=O)(=O)N2CCC[C@]3(CC[NH2+]C3)C2)c(C)cc1Br ZINC000490016282 564760325 /nfs/dbraw/zinc/76/03/25/564760325.db2.gz XVLCNPSVOPSIMR-MRXNPFEDSA-N 1 0 387.343 2.830 20 0 GFADRO OC[C@@]1([NH2+]Cc2cc3c(c(Br)c2)OCO3)COc2ccccc2C1 ZINC000527768573 564760375 /nfs/dbraw/zinc/76/03/75/564760375.db2.gz PVISLGIOPLSDTK-GOSISDBHSA-N 1 0 392.249 2.634 20 0 GFADRO O=C(C[NH2+][C@H]1CCC[C@@H]2C[C@@H]21)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000459765987 564761066 /nfs/dbraw/zinc/76/10/66/564761066.db2.gz DLZHTTBUOCEWHL-INWMFGNUSA-N 1 0 383.323 2.815 20 0 GFADRO CC[NH+](CC)[C@H](CNc1ccc(S(N)(=O)=O)cn1)c1ccccc1Cl ZINC000490062951 564761221 /nfs/dbraw/zinc/76/12/21/564761221.db2.gz WFCJAYKFLOVWHS-MRXNPFEDSA-N 1 0 382.917 2.877 20 0 GFADRO O=C(NCC[N@@H+]1CCc2ccccc2C1)c1cc(O)cc(Br)c1 ZINC000527831730 564762670 /nfs/dbraw/zinc/76/26/70/564762670.db2.gz JMCSGXGWEOGGJW-UHFFFAOYSA-N 1 0 375.266 2.943 20 0 GFADRO CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N(C)Cc2ccc(Cl)c(Cl)c2)C1 ZINC000459850929 564762880 /nfs/dbraw/zinc/76/28/80/564762880.db2.gz KOXLBZLEWHWOQO-AWEZNQCLSA-N 1 0 386.323 2.895 20 0 GFADRO C[C@H]([NH2+]C[C@@H](O)[C@H]1CCCO1)c1ccc(F)c(I)c1 ZINC000527953144 564765338 /nfs/dbraw/zinc/76/53/38/564765338.db2.gz KCQHPKBOWOCXNI-CUOATXAZSA-N 1 0 379.213 2.621 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)C(=O)N1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000580577765 564765611 /nfs/dbraw/zinc/76/56/11/564765611.db2.gz SLWVEZRXOWKYDS-SFHVURJKSA-N 1 0 394.313 2.640 20 0 GFADRO Cc1cc(NC(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)c(F)cc1Br ZINC000554571828 564766749 /nfs/dbraw/zinc/76/67/49/564766749.db2.gz GTKCAIKZBHOALA-GFCCVEGCSA-N 1 0 398.276 2.532 20 0 GFADRO C[C@H]([NH2+][C@H]1[C@@H](C)[C@H](C)O[C@H]1C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000528004956 564767041 /nfs/dbraw/zinc/76/70/41/564767041.db2.gz HTFGFYIOTQVGKJ-DMZJWBPISA-N 1 0 391.331 2.559 20 0 GFADRO Cc1ccc(S(=O)(=O)N(CC[NH+](C)C)CC(=O)OC(C)(C)C)c(Cl)c1 ZINC000554607780 564767519 /nfs/dbraw/zinc/76/75/19/564767519.db2.gz FVWGLIWRADJNNS-UHFFFAOYSA-N 1 0 390.933 2.542 20 0 GFADRO O=S(=O)(c1cc(Cl)cc(Cl)c1)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000528061958 564768921 /nfs/dbraw/zinc/76/89/21/564768921.db2.gz ZSAREVMGNWALMF-OAHLLOKOSA-N 1 0 393.336 2.773 20 0 GFADRO CC(C)[N@@H+]1CCCN(C(=O)C(=O)N(C)Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000460076327 564769802 /nfs/dbraw/zinc/76/98/02/564769802.db2.gz CYNGZGAHCMNMRX-UHFFFAOYSA-N 1 0 386.323 2.895 20 0 GFADRO C[C@H](OC[C@H](O)C[NH2+]CCNC(=O)c1cccs1)c1ccc(Cl)cc1 ZINC000580709692 564769955 /nfs/dbraw/zinc/76/99/55/564769955.db2.gz LISIZNSYROGTFU-XJKSGUPXSA-N 1 0 382.913 2.860 20 0 GFADRO CN(C)S(=O)(=O)N1CCCC[C@@H]1C[NH2+]Cc1cc(Cl)ccc1Cl ZINC000554721770 564771772 /nfs/dbraw/zinc/77/17/72/564771772.db2.gz HFYOTAQUYIFQOM-CQSZACIVSA-N 1 0 380.341 2.744 20 0 GFADRO C[C@@H](NS(=O)(=O)c1ccc(C[NH+](C)C)cc1)[C@H]1OCCc2sccc21 ZINC000490502511 564774113 /nfs/dbraw/zinc/77/41/13/564774113.db2.gz YWWRRBCHFAGXHH-FZKQIMNGSA-N 1 0 380.535 2.791 20 0 GFADRO CC[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2cc(C)c(Br)s2)C1 ZINC000460491621 564775979 /nfs/dbraw/zinc/77/59/79/564775979.db2.gz OFJKKLPIMJAVGX-NSHDSACASA-N 1 0 381.361 2.829 20 0 GFADRO O=C(NCc1cc(Cl)cc(Cl)c1OC(F)F)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000490543848 564776762 /nfs/dbraw/zinc/77/67/62/564776762.db2.gz KVDKRHFOHGOCNR-CYBMUJFWSA-N 1 0 394.249 2.601 20 0 GFADRO CCCC[N@H+](C)C[C@@H](C)NS(=O)(=O)c1ccc(OC)cc1Br ZINC000554912523 564777426 /nfs/dbraw/zinc/77/74/26/564777426.db2.gz JZUGLWKTRHPLNY-GFCCVEGCSA-N 1 0 393.347 2.856 20 0 GFADRO O=C([C@@H]1COc2ccc(Br)cc21)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000580891194 564778678 /nfs/dbraw/zinc/77/86/78/564778678.db2.gz XASDYCFKOSXPIB-WOSRLPQWSA-N 1 0 379.298 2.773 20 0 GFADRO CCC[N@H+](CC)C[C@@H](C)NS(=O)(=O)Cc1ccc(Br)cc1 ZINC000554964071 564778973 /nfs/dbraw/zinc/77/89/73/564778973.db2.gz IGOXPKBKHRZWAW-CYBMUJFWSA-N 1 0 377.348 2.989 20 0 GFADRO COc1cccc(OC(F)(F)F)c1S(=O)(=O)N(CC[NH+](C)C)C(C)C ZINC000528354701 564779019 /nfs/dbraw/zinc/77/90/19/564779019.db2.gz ZJYRKPUDYQJTLR-UHFFFAOYSA-N 1 0 384.420 2.555 20 0 GFADRO COc1ccc(I)c(NC(=O)[C@@H](C)Cc2c[nH]cn2)c1 ZINC000581021519 564783573 /nfs/dbraw/zinc/78/35/73/564783573.db2.gz YHYQUWVDSPLPMM-VIFPVBQESA-N 1 0 385.205 2.840 20 0 GFADRO CN1CCO[C@H](CSCc2csc(-c3ccc(S(C)(=O)=O)cc3)n2)C1 ZINC000581011434 564783901 /nfs/dbraw/zinc/78/39/01/564783901.db2.gz QEOSCZLIIAKQRN-HNNXBMFYSA-N 1 0 398.575 2.777 20 0 GFADRO CC(C)(C)[C@@H](O)C[C@H](CO)[NH2+]Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000581086865 564786691 /nfs/dbraw/zinc/78/66/91/564786691.db2.gz AUDOKUNUHPDIRA-WBVHZDCISA-N 1 0 396.329 2.882 20 0 GFADRO Cc1sc2ncnc(SCCC(=O)N3CC[C@@H]4C[NH2+]C[C@H]4C3)c2c1C ZINC000581192902 564792175 /nfs/dbraw/zinc/79/21/75/564792175.db2.gz ALNPPXBKLOYLMM-KGLIPLIRSA-N 1 0 376.551 2.858 20 0 GFADRO CC[NH+]1CCC(N(C)S(=O)(=O)c2ccc(OCC(F)(F)F)cc2)CC1 ZINC000491687684 564795691 /nfs/dbraw/zinc/79/56/91/564795691.db2.gz FOAQUGGQOTZKPW-UHFFFAOYSA-N 1 0 380.432 2.733 20 0 GFADRO Cc1cccc(CC(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)c1Br ZINC000528583696 564796952 /nfs/dbraw/zinc/79/69/52/564796952.db2.gz RUKZNWONWZIPLQ-KRWDZBQOSA-N 1 0 394.357 2.538 20 0 GFADRO C[NH2+][C@@H](C)C(=O)N[C@@H](c1ccc(Cl)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000581320866 564796970 /nfs/dbraw/zinc/79/69/70/564796970.db2.gz QRDXZCSYLVUXPH-SJCJKPOMSA-N 1 0 380.897 2.557 20 0 GFADRO CS(=O)(=O)[C@@H]1CCC[C@@H]([NH2+]Cc2c(Cl)cccc2N2CCOCC2)C1 ZINC000555552172 564797976 /nfs/dbraw/zinc/79/79/76/564797976.db2.gz JHJDLQWQADZXSI-HUUCEWRRSA-N 1 0 386.945 2.622 20 0 GFADRO C[C@@H]1CCC[C@@]1(O)C[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000555635990 564800170 /nfs/dbraw/zinc/80/01/70/564800170.db2.gz UDYOZEIOBUJWFL-RDTXWAMCSA-N 1 0 383.330 2.926 20 0 GFADRO O=C(Nc1cccc(F)c1I)N[C@@H]1CC[NH2+]C12CCC2 ZINC000528689139 564800499 /nfs/dbraw/zinc/80/04/99/564800499.db2.gz TXNIIKYIJMIIHV-LLVKDONJSA-N 1 0 389.212 2.836 20 0 GFADRO O=S(=O)(c1ccc(F)cc1Cl)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000492236827 564800742 /nfs/dbraw/zinc/80/07/42/564800742.db2.gz MGTQEPWOUWHIEW-UHFFFAOYSA-N 1 0 390.908 2.602 20 0 GFADRO [NH3+]CC1(NC(=O)Nc2nc3c(cccc3Br)s2)CCOCC1 ZINC000528689864 564800870 /nfs/dbraw/zinc/80/08/70/564800870.db2.gz JFNNODQVQOVHFI-UHFFFAOYSA-N 1 0 385.287 2.688 20 0 GFADRO C[C@H](CNC(=O)C(=O)NCc1ccc(Cl)cc1Cl)[N@@H+]1CCC[C@@H](C)C1 ZINC000581442782 564802413 /nfs/dbraw/zinc/80/24/13/564802413.db2.gz WDBNPQNXJLVECC-CHWSQXEVSA-N 1 0 386.323 2.846 20 0 GFADRO Brc1ccc(-c2c[nH]c(C[NH2+]CC3(N4CCOCC4)CC3)n2)cc1 ZINC000581466551 564803200 /nfs/dbraw/zinc/80/32/00/564803200.db2.gz NHFKTNHEFYXHOL-UHFFFAOYSA-N 1 0 391.313 2.794 20 0 GFADRO O=C(NC[C@@H]1C[NH2+]CCO1)c1ccc(Oc2cccc(Br)c2)cc1 ZINC000581482959 564804213 /nfs/dbraw/zinc/80/42/13/564804213.db2.gz KPXMFGLGMOCOMU-KRWDZBQOSA-N 1 0 391.265 2.960 20 0 GFADRO C[C@H](NC(=O)[C@H](C)N1CC[C@H]2CC[C@@H](C1)S2(=O)=O)c1ccc(Cl)cc1 ZINC000528775747 564804550 /nfs/dbraw/zinc/80/45/50/564804550.db2.gz HZCASCYHNCVDOS-CLROSIBMSA-N 1 0 384.929 2.557 20 0 GFADRO Cc1cc(C(=O)Nc2ccn(CC[NH+](C)C)n2)cc(Cl)c1Br ZINC000555857272 564806800 /nfs/dbraw/zinc/80/68/00/564806800.db2.gz FEOGUSFKRVXXGS-UHFFFAOYSA-N 1 0 385.693 3.421 20 0 GFADRO Cc1nc(CNC(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)sc1Br ZINC000581538479 564807096 /nfs/dbraw/zinc/80/70/96/564807096.db2.gz IEVYPQOFIAYZIP-NWDGAFQWSA-N 1 0 387.347 2.745 20 0 GFADRO CC[NH+](CC)CCNS(=O)(=O)c1cc(Br)cc2cccnc21 ZINC000581599333 564810257 /nfs/dbraw/zinc/81/02/57/564810257.db2.gz BFUDMHICSVEJQD-UHFFFAOYSA-N 1 0 386.315 2.617 20 0 GFADRO O=S(=O)(CC[NH2+]Cc1ccc(Br)c(Cl)c1)NCC1CCC1 ZINC000494039008 564816324 /nfs/dbraw/zinc/81/63/24/564816324.db2.gz RHOJEQCWHXVURE-UHFFFAOYSA-N 1 0 395.750 2.912 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2S(=O)(=O)c1ccc(C(F)(F)F)s1 ZINC000462098601 564818445 /nfs/dbraw/zinc/81/84/45/564818445.db2.gz DEAWYNSSYPBYQO-GRYCIOLGSA-N 1 0 398.472 2.639 20 0 GFADRO O=C(NCCC[NH+]1CCCC1)N[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000494187091 564818821 /nfs/dbraw/zinc/81/88/21/564818821.db2.gz YFGOUGKTONBQIJ-INIZCTEOSA-N 1 0 395.345 2.813 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CN(C)S(=O)(=O)CCc1ccccc1Br ZINC000462104705 564819250 /nfs/dbraw/zinc/81/92/50/564819250.db2.gz LSDZLIBXLKHSER-HNNXBMFYSA-N 1 0 389.359 2.738 20 0 GFADRO Cc1cc(I)ccc1NC(=O)C[NH2+][C@]1(C)CCO[C@H]1C ZINC000494249694 564821254 /nfs/dbraw/zinc/82/12/54/564821254.db2.gz CBVLWDXXPSBDDT-XHDPSFHLSA-N 1 0 388.249 2.695 20 0 GFADRO CN(c1ccc(OCC[NH+]2CCCC2)cc1)S(=O)(=O)CCC(F)(F)F ZINC000556397174 564823685 /nfs/dbraw/zinc/82/36/85/564823685.db2.gz BUAVCMKEPIUGFM-UHFFFAOYSA-N 1 0 380.432 2.880 20 0 GFADRO O[C@@H](C[NH2+]Cc1cccc(I)c1)COc1ccccc1 ZINC000556403549 564824440 /nfs/dbraw/zinc/82/44/40/564824440.db2.gz DQIITLQVEAFLBR-HNNXBMFYSA-N 1 0 383.229 2.821 20 0 GFADRO [NH3+]C[C@H]1CC[C@H](CNC(=O)c2cc(Br)c3c(c2)OCCO3)CC1 ZINC000582002227 564826690 /nfs/dbraw/zinc/82/66/90/564826690.db2.gz TXMRQXGVNBGLNF-HAQNSBGRSA-N 1 0 383.286 2.715 20 0 GFADRO CC[NH+](CC)[C@@H]1CCN(C(=O)c2cc(Br)cc(C(=O)OC)c2)C1 ZINC000462200863 564826828 /nfs/dbraw/zinc/82/68/28/564826828.db2.gz HOUOWTWSODLEIH-OAHLLOKOSA-N 1 0 383.286 2.792 20 0 GFADRO CC(C)[C@@H]1C[NH2+]CCN1C(=O)N[C@H](c1cncc(Br)c1)C1CC1 ZINC000529329105 564829013 /nfs/dbraw/zinc/82/90/13/564829013.db2.gz JPBDKLVLDQUAPZ-HOTGVXAUSA-N 1 0 381.318 2.935 20 0 GFADRO COCC[C@@H]([NH2+]CC(=O)NC1CCOCC1)c1ccc(Cl)c(Cl)c1 ZINC000556518117 564829362 /nfs/dbraw/zinc/82/93/62/564829362.db2.gz HNQHWLRAYBHAGO-MRXNPFEDSA-N 1 0 375.296 2.956 20 0 GFADRO O=C(N[C@H]1CC[NH2+]C12CCC2)N[C@@H]1CCOc2c(Br)cccc21 ZINC000529330190 564830053 /nfs/dbraw/zinc/83/00/53/564830053.db2.gz MFXJFHLJIXLENA-KGLIPLIRSA-N 1 0 380.286 2.857 20 0 GFADRO O=C(C[NH2+][C@H](CO)C1CCOCC1)Nc1c(Cl)cc(Cl)cc1Cl ZINC000582082808 564830632 /nfs/dbraw/zinc/83/06/32/564830632.db2.gz WSETVBWJZJUYGR-CYBMUJFWSA-N 1 0 381.687 2.962 20 0 GFADRO Cc1cc(Br)c2c(c1)CN(C[C@H](O)C[NH+]1C[C@@H](C)O[C@H](C)C1)CC2 ZINC000494439867 564830719 /nfs/dbraw/zinc/83/07/19/564830719.db2.gz VYCWWBLMKVNHBG-INMHGKMJSA-N 1 0 397.357 2.586 20 0 GFADRO C[C@H]1CC[N@H+](C)CCN1C(=O)C(=O)NCCCc1ccc(Cl)cc1Cl ZINC000582264506 564837650 /nfs/dbraw/zinc/83/76/50/564837650.db2.gz NPHKHLNKYHFILY-ZDUSSCGKSA-N 1 0 386.323 2.595 20 0 GFADRO COCCN(Cc1cc(Br)cs1)C(=O)NCC[N@H+](C)C1CC1 ZINC000494816367 564840583 /nfs/dbraw/zinc/84/05/83/564840583.db2.gz RLPXFQJJQXRJTL-UHFFFAOYSA-N 1 0 390.347 2.763 20 0 GFADRO COCCN(Cc1ccc(Br)s1)C(=O)NC1CC[NH+](C)CC1 ZINC000494838288 564841500 /nfs/dbraw/zinc/84/15/00/564841500.db2.gz SPFRTPNANPHOTM-UHFFFAOYSA-N 1 0 390.347 2.763 20 0 GFADRO CCN(CC)c1ncc(C[NH2+]C2CCN(S(=O)(=O)C(C)(C)C)CC2)s1 ZINC000494840482 564841685 /nfs/dbraw/zinc/84/16/85/564841685.db2.gz QATXTMBOHOVDLH-UHFFFAOYSA-N 1 0 388.603 2.672 20 0 GFADRO CO[C@@H]1CCN(C(=O)CCCOc2cccc(Br)c2)[C@H](C[NH3+])C1 ZINC000582355170 564842499 /nfs/dbraw/zinc/84/24/99/564842499.db2.gz YPNXBARQNBEHHN-LSDHHAIUSA-N 1 0 385.302 2.573 20 0 GFADRO CC[NH+](CC)CCS(=O)(=O)NC(C)(C)COc1ncc(Cl)cc1Cl ZINC000582388923 564843507 /nfs/dbraw/zinc/84/35/07/564843507.db2.gz KBAZEJAOPGVJGF-UHFFFAOYSA-N 1 0 398.356 2.807 20 0 GFADRO CCOC1CC2(C1)CC[N@H+](Cc1cc(=O)n3cc(Br)ccc3n1)C2 ZINC000556844121 564843856 /nfs/dbraw/zinc/84/38/56/564843856.db2.gz NXGCLTVTGMXMDC-UHFFFAOYSA-N 1 0 392.297 2.848 20 0 GFADRO C[C@@H](NC(=O)N1CCC[C@@H](C[NH3+])C1)c1cc2c(cc1Br)OCCO2 ZINC000582409490 564845458 /nfs/dbraw/zinc/84/54/58/564845458.db2.gz LKYZIEACVZOKIA-NEPJUHHUSA-N 1 0 398.301 2.662 20 0 GFADRO O=S(=O)(NCCC[NH2+][C@@H]1CCC[C@H]2C[C@H]21)c1ccccc1Br ZINC000556910566 564845908 /nfs/dbraw/zinc/84/59/08/564845908.db2.gz BOVDKEQOYAZDCH-GZBFAFLISA-N 1 0 387.343 2.896 20 0 GFADRO CC1(C)CCC[N@@H+]1CCNC(=O)c1cc(=O)c2cc(Br)ccc2[nH]1 ZINC000582471090 564848648 /nfs/dbraw/zinc/84/86/48/564848648.db2.gz RZFHAWMHBVTCBD-UHFFFAOYSA-N 1 0 392.297 2.895 20 0 GFADRO OC[C@@]1([C@H]([NH2+]Cc2cccc(I)c2)C2CC2)CCCO1 ZINC000556966977 564848837 /nfs/dbraw/zinc/84/88/37/564848837.db2.gz AGSIDNYFYDJUIQ-HZPDHXFCSA-N 1 0 387.261 2.701 20 0 GFADRO O=C(NC[C@H]1CC[N@@H+]1C1CCCCC1)c1ccc(I)cn1 ZINC000529714708 564848811 /nfs/dbraw/zinc/84/88/11/564848811.db2.gz NEHJZJGNFLOMIS-CQSZACIVSA-N 1 0 399.276 2.823 20 0 GFADRO O=C(Nc1ccc(Br)c(C2CC2)n1)N[C@H]1C[NH2+]CCC1(F)F ZINC000582594307 564854022 /nfs/dbraw/zinc/85/40/22/564854022.db2.gz JNIKXIHXOQZYGK-JTQLQIEISA-N 1 0 375.217 2.840 20 0 GFADRO COc1ccc(Br)cc1CC(=O)N1C[C@H](SC)[C@@H]([NH+](C)C)C1 ZINC000495674347 564856041 /nfs/dbraw/zinc/85/60/41/564856041.db2.gz ZROXJRQXHYMSGY-ZFWWWQNUSA-N 1 0 387.343 2.504 20 0 GFADRO COC(=O)CN(CCc1ccc(Cl)cc1Cl)C(=O)[C@H]([NH3+])CC(F)F ZINC000582666841 564856493 /nfs/dbraw/zinc/85/64/93/564856493.db2.gz JZAZUFGCFYOTPE-GFCCVEGCSA-N 1 0 383.222 2.520 20 0 GFADRO COC[C@]1(CNC(=O)N2CCc3cc(Br)cc(C)c3C2)CCC[NH2+]1 ZINC000557219651 564858599 /nfs/dbraw/zinc/85/85/99/564858599.db2.gz GHLNMGGBYDNGKR-GOSISDBHSA-N 1 0 396.329 2.594 20 0 GFADRO CCN(Cc1ccccc1Br)C[C@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000557295112 564859334 /nfs/dbraw/zinc/85/93/34/564859334.db2.gz LETZMYUJJZNNLS-UXLLHSPISA-N 1 0 385.346 2.741 20 0 GFADRO CC[C@@H]([NH2+]CC(=O)N1CCN(c2cnccn2)CC1)c1ccc(Cl)s1 ZINC000557271531 564859601 /nfs/dbraw/zinc/85/96/01/564859601.db2.gz DTLQWWDRQQVUAD-CYBMUJFWSA-N 1 0 379.917 2.581 20 0 GFADRO CCN1C[C@H](C)[C@H]([NH2+][C@@H]2CCN(c3ccc(Br)c(C)c3)C2=O)C1 ZINC000462842402 564859773 /nfs/dbraw/zinc/85/97/73/564859773.db2.gz QVLQGIMMYIHIOV-IAOVAPTHSA-N 1 0 380.330 2.793 20 0 GFADRO COc1cc(Br)c(C[NH2+][C@H]2CCO[C@H](c3ccnn3C)C2)cc1O ZINC000582826064 564863644 /nfs/dbraw/zinc/86/36/44/564863644.db2.gz GOLAQCZUYNXQNU-LRDDRELGSA-N 1 0 396.285 2.907 20 0 GFADRO NC(=O)[C@@H](NC[C@@H]1CC[N@@H+]1C1CCCCC1)c1cccc(Br)c1 ZINC000530129201 564865632 /nfs/dbraw/zinc/86/56/32/564865632.db2.gz GFQAKHGOPGAPAG-IRXDYDNUSA-N 1 0 380.330 2.972 20 0 GFADRO COc1ccc(C(=O)N2CCC([N@@H+]3CCO[C@H](C)C3)CC2)cc1Br ZINC000497379077 564866080 /nfs/dbraw/zinc/86/60/80/564866080.db2.gz UGUYMUXSQNPUKO-CYBMUJFWSA-N 1 0 397.313 2.783 20 0 GFADRO COCCC[N@H+](C)CCNC(=O)Nc1cc(C)c(Br)cc1F ZINC000497425792 564867378 /nfs/dbraw/zinc/86/73/78/564867378.db2.gz NKSGOCACWRMGBV-UHFFFAOYSA-N 1 0 376.270 2.986 20 0 GFADRO COC[C@@]1(CNC(=O)CCc2cc(Cl)ccc2Br)CCC[NH2+]1 ZINC000582959232 564870282 /nfs/dbraw/zinc/87/02/82/564870282.db2.gz DDIOVYOAPVNNIJ-INIZCTEOSA-N 1 0 389.721 2.920 20 0 GFADRO COc1cc(NC(=O)N2C[C@@H](SC)[C@H]([NH+](C)C)C2)ccc1Br ZINC000497660484 564873036 /nfs/dbraw/zinc/87/30/36/564873036.db2.gz JHNRHPPFJDLHNV-TZMCWYRMSA-N 1 0 388.331 2.967 20 0 GFADRO CS(=O)(=O)c1ccc([C@H](O)C[NH2+][C@@H]2[C@H]3Cc4cc(Cl)ccc4[C@@H]23)cc1 ZINC000530237842 564873356 /nfs/dbraw/zinc/87/33/56/564873356.db2.gz ZSASKGQQAUQCHB-WJFTUGDTSA-N 1 0 377.893 2.705 20 0 GFADRO C[N@@H+]1CC[C@H]2CCN(C(=O)NCc3cc(Br)cc4c3OCC4)[C@@H]2C1 ZINC000463266895 564874764 /nfs/dbraw/zinc/87/47/64/564874764.db2.gz OOZAZARJZIUIKJ-BLLLJJGKSA-N 1 0 394.313 2.620 20 0 GFADRO CC[C@H]([NH2+]CCNC(=O)c1ccc(Br)cc1)C1(C(=O)OC)CCC1 ZINC000497844319 564877259 /nfs/dbraw/zinc/87/72/59/564877259.db2.gz BBVLOJPQYBLMQS-HNNXBMFYSA-N 1 0 397.313 2.890 20 0 GFADRO C[C@@H](CNS(=O)(=O)c1c(F)cccc1OC(F)(F)F)C[NH+]1CCCC1 ZINC000557805088 564878015 /nfs/dbraw/zinc/87/80/15/564878015.db2.gz QMEXMUTYCZZMKX-NSHDSACASA-N 1 0 384.395 2.735 20 0 GFADRO CC(C)CNC(=O)NC(=O)[C@H](C)[N@H+](C)CCc1cccc(Br)c1 ZINC000463425063 564880712 /nfs/dbraw/zinc/88/07/12/564880712.db2.gz RENXEUHCFBMEBX-ZDUSSCGKSA-N 1 0 384.318 2.794 20 0 GFADRO CC[C@H](C)[C@@H]([NH3+])C(=O)N1CCC(C(=O)Nc2cccc(Br)c2)CC1 ZINC000497959959 564882316 /nfs/dbraw/zinc/88/23/16/564882316.db2.gz PWHJZEBXUYYZIG-BLLLJJGKSA-N 1 0 396.329 3.000 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]1C1CCN(c2ncnc3cc(Br)ccc32)CC1 ZINC000583253375 564883392 /nfs/dbraw/zinc/88/33/92/564883392.db2.gz ROLIATFVLWZKLA-ZBFHGGJFSA-N 1 0 377.286 2.725 20 0 GFADRO CC[NH+](CC)CC[C@H](CO)NC(=O)Nc1cc(F)ccc1Br ZINC000498024196 564885045 /nfs/dbraw/zinc/88/50/45/564885045.db2.gz WTIQXKWIYJZONK-GFCCVEGCSA-N 1 0 376.270 2.803 20 0 GFADRO CN1CC[NH2+]C[C@@H]1CNC(=O)Nc1ccc(Br)c2ccccc12 ZINC000583310129 564885505 /nfs/dbraw/zinc/88/55/05/564885505.db2.gz OKQBRYPCZAGALZ-GFCCVEGCSA-N 1 0 377.286 2.627 20 0 GFADRO Cc1cc(Br)c(O)c(NC(=O)c2cnn([C@H]3CCC[NH2+]C3)c2)c1 ZINC000583375746 564888182 /nfs/dbraw/zinc/88/81/82/564888182.db2.gz YSYOMYRFESQDIB-LBPRGKRZSA-N 1 0 379.258 2.836 20 0 GFADRO C[N@H+](C[C@@H](O)COc1ccc(Cl)cc1Br)C1CCOCC1 ZINC000530627371 564888942 /nfs/dbraw/zinc/88/89/42/564888942.db2.gz WUZYFOMBVCHPEP-CYBMUJFWSA-N 1 0 378.694 2.953 20 0 GFADRO O=C(Nc1ccc(I)cc1F)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000583392280 564889394 /nfs/dbraw/zinc/88/93/94/564889394.db2.gz BHRCGLQIXKERGB-PHIMTYICSA-N 1 0 389.212 2.789 20 0 GFADRO Cc1cccc(I)c1C(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000463769905 564889773 /nfs/dbraw/zinc/88/97/73/564889773.db2.gz LAKFBAXFIARNFU-CYBMUJFWSA-N 1 0 384.261 2.908 20 0 GFADRO [NH3+][C@H](CC(F)F)C(=O)NCC1(c2cccc(Br)c2)CCOCC1 ZINC000498197957 564890850 /nfs/dbraw/zinc/89/08/50/564890850.db2.gz DMSQJSMRRIEMJP-CYBMUJFWSA-N 1 0 391.256 2.596 20 0 GFADRO CCN1CC[NH+](C[C@H](C)CNC(=O)COc2cc(Cl)cc(Cl)c2)CC1 ZINC000463814647 564891086 /nfs/dbraw/zinc/89/10/86/564891086.db2.gz OEQXISUILMTYPR-CQSZACIVSA-N 1 0 388.339 2.762 20 0 GFADRO O=C(NCCC1=CC[NH2+]CC1)N[C@@H]1COc2cc(F)c(Br)cc21 ZINC000583489654 564893987 /nfs/dbraw/zinc/89/39/87/564893987.db2.gz VEGTUFGTWWSHSP-CQSZACIVSA-N 1 0 384.249 2.631 20 0 GFADRO COC(=O)c1sccc1NC(=O)C[NH2+][C@H](CCO)c1ccc(Cl)cc1 ZINC000558156093 564894495 /nfs/dbraw/zinc/89/44/95/564894495.db2.gz UWGSMZKMFMJKEI-CYBMUJFWSA-N 1 0 382.869 2.840 20 0 GFADRO C[NH+](C)CCOc1cnccc1CNC(=O)c1cscc1Br ZINC000558264508 564897336 /nfs/dbraw/zinc/89/73/36/564897336.db2.gz YAJLYTMZBPGRMS-UHFFFAOYSA-N 1 0 384.299 2.776 20 0 GFADRO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]C[C@H](CO)c1cccnc1 ZINC000558274966 564897364 /nfs/dbraw/zinc/89/73/64/564897364.db2.gz DRBGRZUHRWCPDW-UKRRQHHQSA-N 1 0 392.297 2.927 20 0 GFADRO O=C(CNC(=O)CSc1ccc(Cl)cc1)NCC[NH+]1CCCCCC1 ZINC000558358568 564898610 /nfs/dbraw/zinc/89/86/10/564898610.db2.gz ACVMBHXJBXAVGR-UHFFFAOYSA-N 1 0 383.945 2.541 20 0 GFADRO C[C@H]1CC[N@H+](CCNC(=O)C(=O)Nc2ccc(C(F)(F)F)cc2Cl)C1 ZINC000531044221 564899733 /nfs/dbraw/zinc/89/97/33/564899733.db2.gz GDEOUPNCWWYBDG-JTQLQIEISA-N 1 0 377.794 2.755 20 0 GFADRO Cc1cccc(OC[C@@H](O)C[NH2+]Cc2cn3ccc(Br)cc3n2)c1 ZINC000558482813 564903224 /nfs/dbraw/zinc/90/32/24/564903224.db2.gz NJBWBIXGSLJYJA-INIZCTEOSA-N 1 0 390.281 2.935 20 0 GFADRO [NH3+]CCC1CCN(C(=O)c2cn(-c3ccc(Br)cc3)cn2)CC1 ZINC000583700613 564903356 /nfs/dbraw/zinc/90/33/56/564903356.db2.gz OZJNGYKYUQCJMG-UHFFFAOYSA-N 1 0 377.286 2.836 20 0 GFADRO CC(C)(C)[C@H]1CC[N@H+](Cc2cc(=O)n3cc(Br)ccc3n2)C[C@@H]1O ZINC000583720053 564903997 /nfs/dbraw/zinc/90/39/97/564903997.db2.gz OWXZLJNVOBZLGN-GJZGRUSLSA-N 1 0 394.313 2.686 20 0 GFADRO Cc1cc(N2C[C@@H](C(=O)N[C@H](C)CC[NH+](C)C)CC2=O)ccc1Br ZINC000498644665 564904660 /nfs/dbraw/zinc/90/46/60/564904660.db2.gz GWOGMTZCVAILQQ-KGLIPLIRSA-N 1 0 396.329 2.567 20 0 GFADRO C[C@H]1CC[N@H+](CCNC(=O)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)C1 ZINC000531283464 564905671 /nfs/dbraw/zinc/90/56/71/564905671.db2.gz LNECXZCQRGAIQV-JTQLQIEISA-N 1 0 377.794 2.755 20 0 GFADRO CC[N@H+](C)CCNC(=O)[C@@H](C)SCc1nc2sc(C)c(C)c2c(=O)[nH]1 ZINC000498755509 564908063 /nfs/dbraw/zinc/90/80/63/564908063.db2.gz YVULQZZANUIQMP-GFCCVEGCSA-N 1 0 382.555 2.703 20 0 GFADRO C[NH+]1CCN(c2cc(C(=O)N[C@H]3CCc4sc(Cl)cc43)ccn2)CC1 ZINC000558613477 564908846 /nfs/dbraw/zinc/90/88/46/564908846.db2.gz WYKSWPSEHBRSPG-AWEZNQCLSA-N 1 0 376.913 2.966 20 0 GFADRO Cc1cc(NCC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)ccc1Br ZINC000531387716 564909727 /nfs/dbraw/zinc/90/97/27/564909727.db2.gz UJFRKUAJQZFBRM-MRXNPFEDSA-N 1 0 398.345 2.642 20 0 GFADRO Cc1nc(C(F)(F)F)sc1C(=O)NC(C)(C)CC[NH+]1CCN(C)CC1 ZINC000464548869 564909970 /nfs/dbraw/zinc/90/99/70/564909970.db2.gz BJFYZEJDYKQLNC-UHFFFAOYSA-N 1 0 378.464 2.616 20 0 GFADRO O=C(CCOc1ccc(Cl)cc1Br)N[C@H]1C[NH2+]CCC1(F)F ZINC000583935419 564913578 /nfs/dbraw/zinc/91/35/78/564913578.db2.gz MKHVHEGNRSTCKX-LBPRGKRZSA-N 1 0 397.647 2.985 20 0 GFADRO O=S(=O)(c1cc(F)ccc1Br)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000583934739 564913828 /nfs/dbraw/zinc/91/38/28/564913828.db2.gz SUQUXKIKXHMYPX-RYUDHWBXSA-N 1 0 391.306 2.598 20 0 GFADRO CC(C)(C[NH2+]CC1(O)CCS(=O)(=O)CC1)c1cccc(C(F)(F)F)c1 ZINC000583929653 564913881 /nfs/dbraw/zinc/91/38/81/564913881.db2.gz VEHGOKDQNJEGJV-UHFFFAOYSA-N 1 0 379.444 2.512 20 0 GFADRO Cc1cc(NC(=O)C(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)sn1 ZINC000499063438 564916813 /nfs/dbraw/zinc/91/68/13/564916813.db2.gz KZTKRGLPPVWJHB-WFASDCNBSA-N 1 0 378.523 2.651 20 0 GFADRO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[N@@H+]1CCC[C@]2(CNC(=O)C2)C1 ZINC000464802249 564918655 /nfs/dbraw/zinc/91/86/55/564918655.db2.gz PKKCSBBTHAKCEC-SFHVURJKSA-N 1 0 384.307 2.554 20 0 GFADRO CC(=O)N[C@@H](CC(=O)N1CCC[C@H]1C[NH+](C)C)c1ccc(Br)cc1 ZINC000464923310 564920803 /nfs/dbraw/zinc/92/08/03/564920803.db2.gz WGJXAVGFLZVHSO-IRXDYDNUSA-N 1 0 396.329 2.569 20 0 GFADRO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)N2CCN(Cc3ccc(Cl)s3)CC2)C1 ZINC000465008086 564922433 /nfs/dbraw/zinc/92/24/33/564922433.db2.gz KBTPHTJIUZPJIR-GOEBONIOSA-N 1 0 384.977 2.957 20 0 GFADRO C[C@@H]1Cc2cc(S(=O)(=O)N3CC[C@]4(C3)CCC[N@H+](C)C4)cc(Cl)c2O1 ZINC000559134592 564923753 /nfs/dbraw/zinc/92/37/53/564923753.db2.gz ZYOYTCMALPKFPA-FZKQIMNGSA-N 1 0 384.929 2.770 20 0 GFADRO [NH3+]C[C@@H]1CCCN(C(=O)NCCc2c[nH]c3ccc(Br)cc23)C1 ZINC000584221439 564925953 /nfs/dbraw/zinc/92/59/53/564925953.db2.gz GLWFWDLWKCULGO-LBPRGKRZSA-N 1 0 379.302 2.853 20 0 GFADRO CCC[C@H]1CN(C(=O)Cc2ccccc2Br)CC[N@@H+]1CCOC ZINC000499440434 564927074 /nfs/dbraw/zinc/92/70/74/564927074.db2.gz ZBKXVHBBOLXBEA-INIZCTEOSA-N 1 0 383.330 2.951 20 0 GFADRO CCCC[N@H+](C)C[C@@H](C)NC(=O)C(=O)Nc1ccc(Br)cc1C ZINC000584262577 564927600 /nfs/dbraw/zinc/92/76/00/564927600.db2.gz JGHDGRSXSSSOGY-CYBMUJFWSA-N 1 0 384.318 2.933 20 0 GFADRO O=C(CC[NH+]1CCC2(CC1)CCS(=O)(=O)CC2)Nc1ccccc1Cl ZINC000559259610 564927929 /nfs/dbraw/zinc/92/79/29/564927929.db2.gz PKGKPYQQKMXGMD-UHFFFAOYSA-N 1 0 384.929 2.959 20 0 GFADRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)NCc1csc(Br)c1 ZINC000465659526 564930492 /nfs/dbraw/zinc/93/04/92/564930492.db2.gz NJXQJRAIMNXRRA-CYBMUJFWSA-N 1 0 390.347 2.763 20 0 GFADRO Ic1ccc2c(c1)[C@@H]([NH2+]C[C@H]1COCCO1)CCCO2 ZINC000532193872 564931420 /nfs/dbraw/zinc/93/14/20/564931420.db2.gz KNPJFGMSXNXEEA-JSGCOSHPSA-N 1 0 389.233 2.510 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@@H](C)Oc1cccc(Br)c1 ZINC000466008682 564934579 /nfs/dbraw/zinc/93/45/79/564934579.db2.gz MDOKOLMTHNEJBJ-HIFRSBDPSA-N 1 0 384.318 3.000 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)N(C)CCOc2ccc(Br)cc2)CC[N@@H+]1C ZINC000466042916 564935080 /nfs/dbraw/zinc/93/50/80/564935080.db2.gz RHSDREDRSLMXNL-UKRRQHHQSA-N 1 0 384.318 2.952 20 0 GFADRO CC[C@@H]1C[N@@H+]([C@@H]2CCCN(c3ccc(Br)c(C)c3)C2=O)C[C@H]1O ZINC000466196031 564935861 /nfs/dbraw/zinc/93/58/61/564935861.db2.gz BMTJZNZEESACTA-KBRIMQKVSA-N 1 0 381.314 2.956 20 0 GFADRO COCCN(CC[NH+](C)C)C(=O)N[C@H]1COc2c1ccc(Cl)c2Cl ZINC000466202006 564935983 /nfs/dbraw/zinc/93/59/83/564935983.db2.gz KPGZUHCPWGTNBW-ZDUSSCGKSA-N 1 0 376.284 2.647 20 0 GFADRO COCC[N@H+](C)CCCNC(=O)N1Cc2cc(Br)ccc2C[C@@H]1C ZINC000499801521 564937358 /nfs/dbraw/zinc/93/73/58/564937358.db2.gz UNBHCTQENAYWQV-AWEZNQCLSA-N 1 0 398.345 2.874 20 0 GFADRO O=S(=O)(CCC[NH2+]C1CCC(O)(C(F)(F)F)CC1)Cc1ccccc1 ZINC000532449184 564938179 /nfs/dbraw/zinc/93/81/79/564938179.db2.gz NKXINDLSMUVXMA-UHFFFAOYSA-N 1 0 379.444 2.817 20 0 GFADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@@H](CO)Cc1ccc(F)cc1 ZINC000559895041 564941313 /nfs/dbraw/zinc/94/13/13/564941313.db2.gz WRWQFUIVVPBIEK-HIFRSBDPSA-N 1 0 397.288 2.579 20 0 GFADRO O=C(NCCNc1ccccn1)c1cccc(F)c1I ZINC000532755601 564944061 /nfs/dbraw/zinc/94/40/61/564944061.db2.gz GWLHHKWGQRISCR-UHFFFAOYSA-N 1 0 385.180 2.667 20 0 GFADRO C[NH+](C)C[C@@H]1CCCCN1C(=O)c1cccc(F)c1I ZINC000532754477 564944174 /nfs/dbraw/zinc/94/41/74/564944174.db2.gz VMSZASWJYWRNGS-NSHDSACASA-N 1 0 390.240 2.987 20 0 GFADRO C[C@H]1CN(C(=O)Nc2cc(Cl)c(Cl)cn2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000466661552 564945199 /nfs/dbraw/zinc/94/51/99/564945199.db2.gz SGUGPYZQCFAEBY-SWLSCSKDSA-N 1 0 386.327 2.878 20 0 GFADRO CC[C@H](O)[C@@H]1CCCC[N@@H+]1Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000532969374 564950550 /nfs/dbraw/zinc/95/05/50/564950550.db2.gz CKIJLGYBIJIXQX-GJZGRUSLSA-N 1 0 380.286 2.582 20 0 GFADRO OC[C@@H]([NH2+]Cc1ccc(I)cc1Cl)[C@H]1CCCO1 ZINC000500372150 564951361 /nfs/dbraw/zinc/95/13/61/564951361.db2.gz UMAWEMHCPRPUAD-CHWSQXEVSA-N 1 0 381.641 2.574 20 0 GFADRO CC(C)CNC(=O)NC(=O)C[NH2+]C1(c2ccc(Br)cc2)CCC1 ZINC000533034261 564952957 /nfs/dbraw/zinc/95/29/57/564952957.db2.gz CEIFONLXBHPTBP-UHFFFAOYSA-N 1 0 382.302 2.900 20 0 GFADRO COc1cc(Br)ccc1[C@@H](C)[NH2+]C[C@H]1CCCS(=O)(=O)C1 ZINC000560194654 564953278 /nfs/dbraw/zinc/95/32/78/564953278.db2.gz HXMZFJAHPIAVSB-VXGBXAGGSA-N 1 0 376.316 2.933 20 0 GFADRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1ccc(I)c(F)c1 ZINC000467027487 564953467 /nfs/dbraw/zinc/95/34/67/564953467.db2.gz YEZKUMJUAYZVOY-LKFCYVNXSA-N 1 0 388.224 2.643 20 0 GFADRO CS(=O)(=O)NC[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(Br)cc1Cl ZINC000500459311 564954559 /nfs/dbraw/zinc/95/45/59/564954559.db2.gz HHOQRTDQLVLSBW-SMDDNHRTSA-N 1 0 395.750 2.910 20 0 GFADRO CS(=O)(=O)NC[C@H]1CCC[C@H]1[NH2+]Cc1c[nH]nc1-c1ccc(Cl)cc1 ZINC000500530003 564955988 /nfs/dbraw/zinc/95/59/88/564955988.db2.gz OXCGYQAUYLFNQS-CZUORRHYSA-N 1 0 382.917 2.538 20 0 GFADRO CS(=O)(=O)NC[C@@H]1CCC[C@H]1[NH2+]Cc1cc(Cl)ccc1OC(F)F ZINC000500527086 564956001 /nfs/dbraw/zinc/95/60/01/564956001.db2.gz CYVUMRJDYRGABT-GXFFZTMASA-N 1 0 382.860 2.749 20 0 GFADRO Cc1ccc(-c2nc(C[NH2+][C@H]3CCC[C@@H]3CNS(C)(=O)=O)cs2)cc1 ZINC000500545313 564956925 /nfs/dbraw/zinc/95/69/25/564956925.db2.gz NCHXZTUHLBPMPS-WBVHZDCISA-N 1 0 379.551 2.926 20 0 GFADRO O=S(=O)(NC[C@H]1CC[N@H+](CCc2ccccc2)C1)c1cncc(Cl)c1 ZINC000533174167 564957051 /nfs/dbraw/zinc/95/70/51/564957051.db2.gz OAGCIRFNZTZYDQ-MRXNPFEDSA-N 1 0 379.913 2.578 20 0 GFADRO Cc1cc(Br)ccc1C[NH2+][C@H]1CCC[C@@H]1CNS(C)(=O)=O ZINC000500542779 564957306 /nfs/dbraw/zinc/95/73/06/564957306.db2.gz ASBDKVRNDIQNNE-HIFRSBDPSA-N 1 0 375.332 2.565 20 0 GFADRO C[C@H]1CC[N@H+](CCNS(=O)(=O)c2cc(Br)sc2Cl)C1 ZINC000533229536 564958542 /nfs/dbraw/zinc/95/85/42/564958542.db2.gz UHLVBEPQTKJZIG-QMMMGPOBSA-N 1 0 387.752 2.784 20 0 GFADRO C[C@@H]1C[C@H](C)C[N@H+]1CCC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1Cl ZINC000533292591 564960461 /nfs/dbraw/zinc/96/04/61/564960461.db2.gz AKKUYTMMQLMYNW-QWHCGFSZSA-N 1 0 387.933 2.649 20 0 GFADRO C[C@H](C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1)[N@H+](C)CC(C)(C)C ZINC000533415696 564962373 /nfs/dbraw/zinc/96/23/73/564962373.db2.gz NMKXAPUIIFWSFM-GFCCVEGCSA-N 1 0 389.949 2.895 20 0 GFADRO COCCNC(=O)[C@H](Cc1ccccc1)[NH2+]Cc1cccc(Br)c1 ZINC000533562772 564965693 /nfs/dbraw/zinc/96/56/93/564965693.db2.gz KHKJLFFBWYJKIG-SFHVURJKSA-N 1 0 391.309 2.913 20 0 GFADRO C[N@@H+]1CCC[C@]2(CCN(C(=O)NCCNc3ncc(Cl)cc3Cl)C2)C1 ZINC000560500765 564965789 /nfs/dbraw/zinc/96/57/89/564965789.db2.gz FKTWGQOUSQGWRZ-KRWDZBQOSA-N 1 0 386.327 2.928 20 0 GFADRO CC[C@@H]([NH2+]CC1(O)CCS(=O)(=O)CC1)c1ccc(OC(F)(F)F)cc1 ZINC000560540291 564967357 /nfs/dbraw/zinc/96/73/57/564967357.db2.gz OLGDFVSKSAPAKC-CQSZACIVSA-N 1 0 381.416 2.566 20 0 GFADRO COC(=O)CC1([NH2+]Cc2c(F)ccc(Br)c2F)CCOCC1 ZINC000501021854 564967722 /nfs/dbraw/zinc/96/77/22/564967722.db2.gz IITSKQKPZGPDSO-UHFFFAOYSA-N 1 0 378.213 2.929 20 0 GFADRO CC(=O)c1cc(Br)ccc1OCC(=O)NCC1(C)CC[NH+](C)CC1 ZINC000560626867 564970705 /nfs/dbraw/zinc/97/07/05/564970705.db2.gz YITOBIGCUGBGLI-UHFFFAOYSA-N 1 0 397.313 2.879 20 0 GFADRO CN(C)C(=O)Nc1ccc(Cl)c(C(=O)NC[C@@]2([NH+](C)C)CCSC2)c1 ZINC000501100034 564970868 /nfs/dbraw/zinc/97/08/68/564970868.db2.gz HGHLQPXSSXPXES-KRWDZBQOSA-N 1 0 384.933 2.601 20 0 GFADRO O=C(CCc1cc(Br)ccc1F)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000533928102 564976433 /nfs/dbraw/zinc/97/64/33/564976433.db2.gz PLMAEBORSACUBR-CQSZACIVSA-N 1 0 399.304 2.702 20 0 GFADRO CS(=O)(=O)N1CCC[C@H]([NH2+][C@@H]2CCc3c2cc(Br)cc3F)C1 ZINC000560897587 564979125 /nfs/dbraw/zinc/97/91/25/564979125.db2.gz HHRQYGVCRDUQLM-XHDPSFHLSA-N 1 0 391.306 2.589 20 0 GFADRO C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+]1CCC[C@H]([C@H](C)O)C1 ZINC000534110428 564979496 /nfs/dbraw/zinc/97/94/96/564979496.db2.gz YTGXQAPGJQLTRU-YCPHGPKFSA-N 1 0 383.330 2.889 20 0 GFADRO CC[N@H+](CCNC(=O)C(=O)NC[C@H](C)c1c(Cl)cccc1Cl)C1CC1 ZINC000561012576 564980957 /nfs/dbraw/zinc/98/09/57/564980957.db2.gz JLDAHZJGLDQZFC-LBPRGKRZSA-N 1 0 386.323 2.814 20 0 GFADRO COc1ccc(Br)cc1C1(C(=O)NC[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000561098161 564983951 /nfs/dbraw/zinc/98/39/51/564983951.db2.gz VHMJQMQLXFTTQJ-ZDUSSCGKSA-N 1 0 381.314 2.947 20 0 GFADRO O=C1C[C@H]([C@H]2CCCC[N@H+]2C[C@H](O)COc2cc(Cl)ccc2Cl)CN1 ZINC000534279350 564984166 /nfs/dbraw/zinc/98/41/66/564984166.db2.gz ZUPPMUNVHOOQRK-DUVNUKRYSA-N 1 0 387.307 2.724 20 0 GFADRO C[C@@H]([NH2+]CCCN1CCCC1=O)c1cc2c(cc1Br)OCCO2 ZINC000561111733 564984939 /nfs/dbraw/zinc/98/49/39/564984939.db2.gz QESTUCMOLGTPMR-GFCCVEGCSA-N 1 0 383.286 2.883 20 0 GFADRO CC(C)C[C@H](C[NH3+])NC(=O)NCCNc1ncc(C(F)(F)F)cc1Cl ZINC000561143090 564985728 /nfs/dbraw/zinc/98/57/28/564985728.db2.gz BQEIGSPIAABKFG-LLVKDONJSA-N 1 0 381.830 2.838 20 0 GFADRO CO[C@@H](CCNC(=O)NCC1([NH+]2CCSCC2)CCCC1)C(F)(F)F ZINC000468520724 564985931 /nfs/dbraw/zinc/98/59/31/564985931.db2.gz BAWHABONVDISBH-ZDUSSCGKSA-N 1 0 383.480 2.615 20 0 GFADRO CC[C@@H]1CN(C(=O)c2ccc(C[NH+]3CCSCC3)cc2)C[C@H](C)[S@]1=O ZINC000561201484 564986823 /nfs/dbraw/zinc/98/68/23/564986823.db2.gz BVLDCRRIKIESQJ-AKQVGLANSA-N 1 0 380.579 2.607 20 0 GFADRO O=C(N[C@H]1COc2cc(F)c(Br)cc21)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000561198040 564987254 /nfs/dbraw/zinc/98/72/54/564987254.db2.gz PRRNKNGEUCZHFW-WMLDXEAASA-N 1 0 398.276 2.807 20 0 GFADRO Cc1csc(C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)c1I ZINC000468607829 564987955 /nfs/dbraw/zinc/98/79/55/564987955.db2.gz DIQWGYKIWUQCQS-VIFPVBQESA-N 1 0 376.263 2.628 20 0 GFADRO C[C@H](C[NH+]1CCOCC1)C(=O)NCC1(c2cccc(Br)c2)CCC1 ZINC000502061798 564990799 /nfs/dbraw/zinc/99/07/99/564990799.db2.gz OCKMTZMNULFMTH-OAHLLOKOSA-N 1 0 395.341 2.955 20 0 GFADRO CC(C)(COc1ccc(C(F)(F)F)cn1)[NH2+]CC1CCS(=O)(=O)CC1 ZINC000502219059 564994204 /nfs/dbraw/zinc/99/42/04/564994204.db2.gz XRUPVCGDTKVWRB-UHFFFAOYSA-N 1 0 380.432 2.672 20 0 GFADRO CC[NH+]1CCC(N(C)S(=O)(=O)Cc2cccc(Br)c2)CC1 ZINC000561476770 564996028 /nfs/dbraw/zinc/99/60/28/564996028.db2.gz GXIURNSCWIARGK-UHFFFAOYSA-N 1 0 375.332 2.695 20 0 GFADRO O=S(=O)(NCC[NH2+][C@@H]1CCCC12CCOCC2)c1ccc(Cl)cc1F ZINC000502326788 564996154 /nfs/dbraw/zinc/99/61/54/564996154.db2.gz OXOXHTVXGPLKRG-MRXNPFEDSA-N 1 0 390.908 2.696 20 0 GFADRO CCCN(CC[NH+](C)C)C(=O)CSc1nncn1-c1cccc(Cl)c1 ZINC000502400698 564997191 /nfs/dbraw/zinc/99/71/91/564997191.db2.gz DNKHXZKBZVGKNS-UHFFFAOYSA-N 1 0 381.933 2.813 20 0 GFADRO Cc1cnc(NC(=O)[C@H]2CSCN2C(=O)[C@H](C)[NH+]2CCCCCC2)s1 ZINC000468931687 564999268 /nfs/dbraw/zinc/99/92/68/564999268.db2.gz JJJSKGOPSKEIBU-UONOGXRCSA-N 1 0 382.555 2.556 20 0 GFADRO CS[C@@H]1CN(C(=O)c2ccnc(-c3ccc(Cl)cc3)n2)C[C@H]1[NH+](C)C ZINC000502474679 564999524 /nfs/dbraw/zinc/99/95/24/564999524.db2.gz SKPXFHKKBKDIBV-HZPDHXFCSA-N 1 0 376.913 2.915 20 0 GFADRO CC(C)C[N@@H+]1CCCC[C@H]1CNS(=O)(=O)c1cccnc1C(F)(F)F ZINC000561539794 565000584 /nfs/dbraw/zinc/00/05/84/565000584.db2.gz PZGGWBOKDXYITA-ZDUSSCGKSA-N 1 0 379.448 2.889 20 0 GFADRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1S(=O)(=O)Cc1ccc(Br)cc1 ZINC000561552433 565001187 /nfs/dbraw/zinc/00/11/87/565001187.db2.gz QKHDQJIIYINMAS-CZUORRHYSA-N 1 0 387.343 2.838 20 0 GFADRO C[C@@H](c1ccccc1Cl)N1CCN(C(=O)C[N@H+](C)[C@H]2CCSC2)CC1 ZINC000535004631 565001900 /nfs/dbraw/zinc/00/19/00/565001900.db2.gz NZXYVNCTYOPMPK-HOTGVXAUSA-N 1 0 381.973 2.983 20 0 GFADRO O=C1C[C@H]([C@@H]2CCCC[N@H+]2C[C@@H](O)COc2ccc(Cl)cc2Cl)CN1 ZINC000535014813 565002413 /nfs/dbraw/zinc/00/24/13/565002413.db2.gz CPDLBLVDWGFEBP-BJJXKVORSA-N 1 0 387.307 2.724 20 0 GFADRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)[C@@H](C)c3ccc(Br)s3)[C@H]2C1 ZINC000502633660 565002769 /nfs/dbraw/zinc/00/27/69/565002769.db2.gz BDVKZLGJZKFCDQ-RWMBFGLXSA-N 1 0 387.343 2.936 20 0 GFADRO COc1ccc(Br)cc1CN(C)CC1(CS(C)(=O)=O)CC1 ZINC000502703398 565003907 /nfs/dbraw/zinc/00/39/07/565003907.db2.gz ZKUXRQJLDVLCOX-UHFFFAOYSA-N 1 0 376.316 2.714 20 0 GFADRO CC(C)[N@H+](C)CCNC(=O)CCOc1cccc(I)c1 ZINC000469144294 565006833 /nfs/dbraw/zinc/00/68/33/565006833.db2.gz ZIXCCMIHMLTSML-UHFFFAOYSA-N 1 0 390.265 2.517 20 0 GFADRO O=C(NCCNc1cc[nH+]cc1)N[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000535263235 565009139 /nfs/dbraw/zinc/00/91/39/565009139.db2.gz SCWLPKHGYQFOLX-JKSUJKDBSA-N 1 0 375.270 2.533 20 0 GFADRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C[C@@H](O)COc1ccc(Br)cc1 ZINC000561898427 565012151 /nfs/dbraw/zinc/01/21/51/565012151.db2.gz AZKHMLFLAVWXTF-QGPMSJSTSA-N 1 0 383.330 2.747 20 0 GFADRO CCN(CC[NH+]1CCCCCC1)CC(=O)Nc1ccc(Br)cn1 ZINC000561897619 565012302 /nfs/dbraw/zinc/01/23/02/565012302.db2.gz CLJSKMJCYVKSJK-UHFFFAOYSA-N 1 0 383.334 2.981 20 0 GFADRO CS[C@H]1CN(S(=O)(=O)c2cc(C(F)(F)F)ccc2F)C[C@@H]1[NH+](C)C ZINC000503221440 565014364 /nfs/dbraw/zinc/01/43/64/565014364.db2.gz JXHGMWUPLZXDKJ-RYUDHWBXSA-N 1 0 386.436 2.511 20 0 GFADRO COC(=O)[C@]1(C)C[N@H+](CCC(=O)Nc2cccc(Br)c2)C[C@H]1C ZINC000503267829 565016524 /nfs/dbraw/zinc/01/65/24/565016524.db2.gz WNVXUTAYCFDCFX-SJKOYZFVSA-N 1 0 383.286 2.909 20 0 GFADRO C[C@@H]1C[C@@]1([NH2+]CCOc1ccc(S(N)(=O)=O)cc1)c1ccc(Cl)cc1 ZINC000503407799 565018811 /nfs/dbraw/zinc/01/88/11/565018811.db2.gz QPQQFJFWSQQDPK-ACJLOTCBSA-N 1 0 380.897 2.891 20 0 GFADRO CCOC[C@H]([NH2+]CCS(=O)(=O)c1cccc(Br)c1)C(C)C ZINC000503447047 565019256 /nfs/dbraw/zinc/01/92/56/565019256.db2.gz NXYIEAGZOWXQJR-HNNXBMFYSA-N 1 0 378.332 2.874 20 0 GFADRO CCOc1nc(C(F)(F)F)ccc1C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000469538904 565020040 /nfs/dbraw/zinc/02/00/40/565020040.db2.gz ZWJMPEOSKJFMCH-OAHLLOKOSA-N 1 0 377.432 2.666 20 0 GFADRO CCCC[N@H+](C)CCNS(=O)(=O)c1cc(F)c(Br)cc1OC ZINC000503507913 565021591 /nfs/dbraw/zinc/02/15/91/565021591.db2.gz UUOPUMMVASODLE-UHFFFAOYSA-N 1 0 397.310 2.607 20 0 GFADRO C[C@@H](O)C[N@@H+]1CCN(C(=O)N[C@@H](C)c2ccc(Br)cc2)[C@@H](C)C1 ZINC000503557963 565023498 /nfs/dbraw/zinc/02/34/98/565023498.db2.gz MOCFEFMHYDSZRM-MJBXVCDLSA-N 1 0 384.318 2.607 20 0 GFADRO CC[NH+]1CCN(CCC(=O)N(C)[C@H](C)c2ccccc2Br)CC1 ZINC000503630317 565024783 /nfs/dbraw/zinc/02/47/83/565024783.db2.gz CYYQCXNZYIPYGG-OAHLLOKOSA-N 1 0 382.346 2.996 20 0 GFADRO C[C@@H](NC(=O)NCC1([NH+](C)C)CCCCC1)c1ncc(Br)cn1 ZINC000562400113 565027625 /nfs/dbraw/zinc/02/76/25/565027625.db2.gz OYPUPPICGZSOSD-GFCCVEGCSA-N 1 0 384.322 2.864 20 0 GFADRO C[C@H](C(=O)Nc1ccc(Br)cc1)[N@@H+]1CC[C@@H](c2nccn2C)C1 ZINC000536067427 565027960 /nfs/dbraw/zinc/02/79/60/565027960.db2.gz QGMGZRJFBUXSPY-CHWSQXEVSA-N 1 0 377.286 2.999 20 0 GFADRO C[C@@H](CO)[N@@H+]1CCCN(Cc2cc(Br)ccc2OC(F)F)CC1 ZINC000469850947 565030107 /nfs/dbraw/zinc/03/01/07/565030107.db2.gz XCSNUUOPZNKTFN-LBPRGKRZSA-N 1 0 393.272 2.939 20 0 GFADRO COc1cc(Cl)c(S(=O)(=O)NC[C@@H](C)[N@@H+]2CCCC[C@H]2C)cc1OC ZINC000562502900 565031401 /nfs/dbraw/zinc/03/14/01/565031401.db2.gz DWAOTOQKUABJHR-CHWSQXEVSA-N 1 0 390.933 2.898 20 0 GFADRO NC(=O)[C@@H]1CCCN1CCC[NH2+][C@@H]1CCCc2ccc(Br)cc21 ZINC000536175087 565031505 /nfs/dbraw/zinc/03/15/05/565031505.db2.gz CACZAAUYOUVGFE-SJORKVTESA-N 1 0 380.330 2.756 20 0 GFADRO C[NH+](C)[C@H]1CCCN(C(=O)c2cc(I)ccc2F)CC1 ZINC000469995939 565034621 /nfs/dbraw/zinc/03/46/21/565034621.db2.gz HDUPPFKPKBNWLF-LBPRGKRZSA-N 1 0 390.240 2.987 20 0 GFADRO C[C@H](CNC(=O)N[C@@H](CO)c1ccc(Br)cc1)C[NH+]1CCCC1 ZINC000504080415 565035044 /nfs/dbraw/zinc/03/50/44/565035044.db2.gz SMARTXOLQPDHPY-CJNGLKHVSA-N 1 0 384.318 2.514 20 0 GFADRO CC(C)(C)[C@@H]1CN(Cc2cc(=O)n3cc(Br)ccc3n2)CCO1 ZINC000562611720 565035104 /nfs/dbraw/zinc/03/51/04/565035104.db2.gz GWYAELQCORGERG-AWEZNQCLSA-N 1 0 380.286 2.704 20 0 GFADRO COc1ccc(C(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)cc1Br ZINC000470090481 565038029 /nfs/dbraw/zinc/03/80/29/565038029.db2.gz AQXKMWPRFRGNRK-CYBMUJFWSA-N 1 0 385.302 2.688 20 0 GFADRO CC[C@@H](Cc1ccccc1Br)NC(=O)N[C@H]1CC[N@H+](CCOC)C1 ZINC000470181388 565040512 /nfs/dbraw/zinc/04/05/12/565040512.db2.gz BVCOPIKACLJLMK-HOTGVXAUSA-N 1 0 398.345 2.790 20 0 GFADRO CN(C)S(=O)(=O)N1CCCC[C@H]1C[NH2+]Cc1cscc1C(F)(F)F ZINC000562904706 565046999 /nfs/dbraw/zinc/04/69/99/565046999.db2.gz LRWFEVDAVMIJEA-LBPRGKRZSA-N 1 0 385.477 2.517 20 0 GFADRO COCC[C@H](Cc1cccc(Br)c1)C(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000470454364 565047073 /nfs/dbraw/zinc/04/70/73/565047073.db2.gz WXLCNQPLSHRBTG-ZACQAIPSSA-N 1 0 395.341 2.664 20 0 GFADRO COc1ccc(CC[NH2+][C@H](C)c2cc3c(s2)CCC3)cc1S(N)(=O)=O ZINC000536851597 565048093 /nfs/dbraw/zinc/04/80/93/565048093.db2.gz KMPJVLYXEVYFSM-GFCCVEGCSA-N 1 0 380.535 2.786 20 0 GFADRO C[C@@H]([NH2+]CCS(=O)(=O)NC[C@H]1CCCCO1)c1cc2c(s1)CCCC2 ZINC000536864844 565048327 /nfs/dbraw/zinc/04/83/27/565048327.db2.gz QSAVMPOOCMAYSO-GDBMZVCRSA-N 1 0 386.583 2.766 20 0 GFADRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NCc1nnc(-c2ccc(Br)cc2)[nH]1 ZINC000536908594 565049759 /nfs/dbraw/zinc/04/97/59/565049759.db2.gz GRSZBCIENMQWRD-ABAIWWIYSA-N 1 0 376.302 2.807 20 0 GFADRO COCC1(CNC(=O)CCCOc2cccc(Br)c2)CC[NH2+]CC1 ZINC000562979050 565050457 /nfs/dbraw/zinc/05/04/57/565050457.db2.gz BUTXEZCRRTVUMA-UHFFFAOYSA-N 1 0 399.329 2.741 20 0 GFADRO C[C@@H]1CN(C[C@@H](O)C[NH2+]Cc2cc(Cl)ccc2OC(F)F)C[C@H](C)O1 ZINC000562989256 565051304 /nfs/dbraw/zinc/05/13/04/565051304.db2.gz GFDQIFHGOBJDPZ-ZOWXZIJZSA-N 1 0 378.847 2.501 20 0 GFADRO O=C(Cc1noc2ccc(Br)cc21)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000562994491 565051487 /nfs/dbraw/zinc/05/14/87/565051487.db2.gz AMGXEDZWIIQPHW-NSHDSACASA-N 1 0 378.270 2.733 20 0 GFADRO CC(C)[C@@H]([NH2+]CC1(O)CCS(=O)(=O)CC1)c1ccc(C(F)(F)F)cc1 ZINC000537124293 565053158 /nfs/dbraw/zinc/05/31/58/565053158.db2.gz KDVAFHAHARRSFI-OAHLLOKOSA-N 1 0 379.444 2.932 20 0 GFADRO C[C@@H](Oc1ccc(Cl)c(Cl)c1)C(=O)N1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000563116172 565056055 /nfs/dbraw/zinc/05/60/55/565056055.db2.gz AQFUECRIAMERQE-OLZOCXBDSA-N 1 0 387.307 2.975 20 0 GFADRO CC[C@H]([NH2+]CC(=O)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1)C(C)(C)C ZINC000537288954 565056307 /nfs/dbraw/zinc/05/63/07/565056307.db2.gz BELJXSCFRQZKDF-HOCLYGCPSA-N 1 0 386.583 2.678 20 0 GFADRO C[NH2+]CCC1CCN(S(=O)(=O)c2cc(Cl)ccc2OC(F)F)CC1 ZINC000563135692 565056963 /nfs/dbraw/zinc/05/69/63/565056963.db2.gz SYEDNHOFDVKPBI-UHFFFAOYSA-N 1 0 382.860 2.952 20 0 GFADRO O=S(=O)(c1ccc(F)cc1Br)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000563130207 565056996 /nfs/dbraw/zinc/05/69/96/565056996.db2.gz VVLTWQXPMFGLHF-NEPJUHHUSA-N 1 0 391.306 2.598 20 0 GFADRO O=S(=O)(c1ccc(F)cc1Br)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000563130208 565057027 /nfs/dbraw/zinc/05/70/27/565057027.db2.gz VVLTWQXPMFGLHF-NWDGAFQWSA-N 1 0 391.306 2.598 20 0 GFADRO Cc1ccc(S(=O)(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c(Br)c1 ZINC000563129626 565057046 /nfs/dbraw/zinc/05/70/46/565057046.db2.gz GJNWJULVGHXGOI-KBPBESRZSA-N 1 0 387.343 2.768 20 0 GFADRO C[NH+](C)[C@]1(CNC(=O)Nc2ccnc(OCC(F)(F)F)c2)CCSC1 ZINC000537388366 565057844 /nfs/dbraw/zinc/05/78/44/565057844.db2.gz DQZUQWFNQDWWIZ-AWEZNQCLSA-N 1 0 378.420 2.582 20 0 GFADRO O=C(NCCSCC(F)(F)F)NCC1([NH+]2CCSCC2)CCCC1 ZINC000537675747 565061380 /nfs/dbraw/zinc/06/13/80/565061380.db2.gz AOTTWOKZCGZHQJ-UHFFFAOYSA-N 1 0 385.521 2.943 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)CCNC(=O)Nc1ccc(Br)cc1 ZINC000613659470 565077019 /nfs/dbraw/zinc/07/70/19/565077019.db2.gz KSJVYRBHRIHOCF-HUUCEWRRSA-N 1 0 397.317 2.560 20 0 GFADRO C[C@H](C(=O)N(C)Cc1cccc(Br)c1OC[C@H]1CCCO1)[NH+](C)C ZINC000635837063 565077210 /nfs/dbraw/zinc/07/72/10/565077210.db2.gz AVJKFYLWICFWAL-UKRRQHHQSA-N 1 0 399.329 2.915 20 0 GFADRO O=C(CC[NH2+]C[C@H](O)COc1cccc(Br)c1)Nc1ccccc1 ZINC000584405937 565078844 /nfs/dbraw/zinc/07/88/44/565078844.db2.gz KDJPJDNMUSGHGX-INIZCTEOSA-N 1 0 393.281 2.807 20 0 GFADRO CC[C@H](Cc1ccccc1Br)C(=O)N1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000684845514 565084783 /nfs/dbraw/zinc/08/47/83/565084783.db2.gz RHXYQOFFLJIDDC-DNVCBOLYSA-N 1 0 397.357 2.933 20 0 GFADRO Cc1cc(F)c(Br)cc1S(=O)(=O)N[C@@H]1CCC[C@H]1[NH+](C)C ZINC000684840492 565084816 /nfs/dbraw/zinc/08/48/16/565084816.db2.gz WHGPBGBHOSXJII-CHWSQXEVSA-N 1 0 379.295 2.658 20 0 GFADRO [NH3+]Cc1ccc(CNC(=O)N(CCO)Cc2cccc(Br)c2)cc1 ZINC000584588869 565089511 /nfs/dbraw/zinc/08/95/11/565089511.db2.gz IQGXMPCIBRKECT-UHFFFAOYSA-N 1 0 392.297 2.612 20 0 GFADRO CN(CCn1cc(Br)cn1)C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC000584665010 565090562 /nfs/dbraw/zinc/09/05/62/565090562.db2.gz XMLIXHHXHSIQJS-UHFFFAOYSA-N 1 0 379.302 2.522 20 0 GFADRO O=C(N[C@H]1C[C@@H]([NH+]2CCCC2)C1)c1cnn(-c2ccc(Br)cc2)c1 ZINC000636095491 565090546 /nfs/dbraw/zinc/09/05/46/565090546.db2.gz IQEWHHSHLDSXLI-WOVMCDHWSA-N 1 0 389.297 2.991 20 0 GFADRO O=C(C[C@H]1Sc2ccc(Cl)cc2NC1=O)N[C@H]1C[C@@H]([NH+]2CCCC2)C1 ZINC000636092977 565090557 /nfs/dbraw/zinc/09/05/57/565090557.db2.gz QVYUKNYWXKIUOC-DVOMOZLQSA-N 1 0 379.913 2.886 20 0 GFADRO O=S1(=O)CC[C@@H]([NH2+]C2CCN(c3nccs3)CC2)c2cc(F)ccc21 ZINC000684962598 565091570 /nfs/dbraw/zinc/09/15/70/565091570.db2.gz AOSKYJTVGSCBHH-OAHLLOKOSA-N 1 0 381.498 2.759 20 0 GFADRO O=S1(=O)CC[C@H]([NH2+]C2CCN(c3nccs3)CC2)c2cc(F)ccc21 ZINC000684962597 565091595 /nfs/dbraw/zinc/09/15/95/565091595.db2.gz AOSKYJTVGSCBHH-HNNXBMFYSA-N 1 0 381.498 2.759 20 0 GFADRO O[C@@H](COc1cc(Cl)ccc1Cl)CN1CCN(CC(F)(F)F)CC1 ZINC000685013778 565093963 /nfs/dbraw/zinc/09/39/63/565093963.db2.gz FDFWHVBASHUQQR-GFCCVEGCSA-N 1 0 387.229 2.913 20 0 GFADRO C[C@H](CCNC(=O)C(=O)NCc1c(Cl)cccc1Cl)[NH+]1CCCCC1 ZINC000584736324 565094613 /nfs/dbraw/zinc/09/46/13/565094613.db2.gz ZZSDUQJNCLQMAM-CYBMUJFWSA-N 1 0 386.323 2.990 20 0 GFADRO C[N@H+](CCCn1c(=O)[nH]c2ccccc21)CCn1cc(Br)cn1 ZINC000685060640 565095455 /nfs/dbraw/zinc/09/54/55/565095455.db2.gz DOOVCOKNDDGKSG-UHFFFAOYSA-N 1 0 378.274 2.723 20 0 GFADRO O=C(c1ccoc1)N1CCC([NH2+]Cc2c(F)cncc2Br)CC1 ZINC000657303261 565096418 /nfs/dbraw/zinc/09/64/18/565096418.db2.gz LOWHKXCZPFSJJA-UHFFFAOYSA-N 1 0 382.233 2.971 20 0 GFADRO O=C(NCC[NH2+]Cc1ccnn1CC1CC1)c1ccc(Br)cc1 ZINC000657323375 565097442 /nfs/dbraw/zinc/09/74/42/565097442.db2.gz DLJDRVFOTXKSQM-UHFFFAOYSA-N 1 0 377.286 2.575 20 0 GFADRO NC(=O)[C@@H](C[NH2+]Cc1c(F)cncc1Br)Cc1ccc(F)cc1 ZINC000657422728 565099479 /nfs/dbraw/zinc/09/94/79/565099479.db2.gz RMUAZGAWIZIUNF-LLVKDONJSA-N 1 0 384.224 2.556 20 0 GFADRO Cc1c(Br)cncc1C[NH2+][C@@H]1CCN(c2ccccc2C(N)=O)C1 ZINC000657370150 565099700 /nfs/dbraw/zinc/09/97/00/565099700.db2.gz MMFLAVMCBKFPLS-CQSZACIVSA-N 1 0 389.297 2.620 20 0 GFADRO Cc1cc(N2CCC[C@@H]([NH2+]Cc3cncc(Br)c3C)C2)n(C)n1 ZINC000657450654 565100893 /nfs/dbraw/zinc/10/08/93/565100893.db2.gz XURWFJQOPCFTBZ-OAHLLOKOSA-N 1 0 378.318 2.953 20 0 GFADRO CCOC1CC(C[NH2+]Cc2cncc(Br)c2C)(N2CCOCC2)C1 ZINC000657450720 565101418 /nfs/dbraw/zinc/10/14/18/565101418.db2.gz YYLYTFPRKVBCJB-UHFFFAOYSA-N 1 0 398.345 2.512 20 0 GFADRO Cc1c(Br)cc(-c2nc(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)no2)c(=O)n1C ZINC000685325648 565103959 /nfs/dbraw/zinc/10/39/59/565103959.db2.gz FHQIHWGXLAYYFR-YOGCLGLASA-N 1 0 393.285 2.846 20 0 GFADRO CC(C)[C@H]([NH2+]CC(=O)Nc1ccc(Br)cc1)[C@H](O)C(F)(F)F ZINC000685413231 565105341 /nfs/dbraw/zinc/10/53/41/565105341.db2.gz RNBDITPSOQLURF-STQMWFEESA-N 1 0 383.208 2.925 20 0 GFADRO CCOc1c(Br)cc(C[NH2+][C@H]2CCNC2=O)cc1Br ZINC000657523851 565106081 /nfs/dbraw/zinc/10/60/81/565106081.db2.gz SOBIYBIWITZBIY-NSHDSACASA-N 1 0 392.091 2.588 20 0 GFADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CSc2c(F)cc(F)cc2F)C1 ZINC000614389582 565110895 /nfs/dbraw/zinc/11/08/95/565110895.db2.gz CCKOFFCLBKXEEJ-ZDUSSCGKSA-N 1 0 376.444 2.669 20 0 GFADRO CCC(=O)N1CCC[N@H+](C[C@@H](O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000614381156 565111098 /nfs/dbraw/zinc/11/10/98/565111098.db2.gz FXEXRFYGBCZGGL-CYBMUJFWSA-N 1 0 375.296 2.677 20 0 GFADRO OCCO[C@@]1(C[NH2+]Cc2ccc(-c3ccc(Br)cc3)o2)CCOC1 ZINC000657597206 565111310 /nfs/dbraw/zinc/11/13/10/565111310.db2.gz NMPOOFWXYNDIHS-GOSISDBHSA-N 1 0 396.281 2.967 20 0 GFADRO CC[NH+](CC)CCS(=O)(=O)N[C@@H](COC)c1cccc(C(F)(F)F)c1 ZINC000685592443 565112828 /nfs/dbraw/zinc/11/28/28/565112828.db2.gz YPONZQDVMZDHFD-HNNXBMFYSA-N 1 0 382.448 2.654 20 0 GFADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+]CCc1ccoc1 ZINC000657653305 565116802 /nfs/dbraw/zinc/11/68/02/565116802.db2.gz JDDVGRFHGVIYFP-GFCCVEGCSA-N 1 0 381.270 2.888 20 0 GFADRO CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)C[NH2+][C@H]1CSC[C@H]1C ZINC000586779911 565116905 /nfs/dbraw/zinc/11/69/05/565116905.db2.gz NNVLDLGONZRQSD-SKDRFNHKSA-N 1 0 384.523 2.715 20 0 GFADRO CC[C@@H](Cc1cccc(Br)c1)C(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000614507150 565117040 /nfs/dbraw/zinc/11/70/40/565117040.db2.gz NFYMPIDDWOZRCI-FUHWJXTLSA-N 1 0 394.357 2.524 20 0 GFADRO Cc1c(Br)cncc1C[NH2+]CC1(S(C)(=O)=O)CCCCC1 ZINC000657655761 565117080 /nfs/dbraw/zinc/11/70/80/565117080.db2.gz DVIAMXHHFQIBBK-UHFFFAOYSA-N 1 0 375.332 2.990 20 0 GFADRO Brc1ccccc1-n1cc(C[NH2+][C@@H]2CCN(c3ccccn3)C2)nn1 ZINC000685619435 565117238 /nfs/dbraw/zinc/11/72/38/565117238.db2.gz QBHAIYAYVSBPAU-CQSZACIVSA-N 1 0 399.296 2.793 20 0 GFADRO Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000685630881 565117478 /nfs/dbraw/zinc/11/74/78/565117478.db2.gz HOWJYYCPZJGRAC-GFCCVEGCSA-N 1 0 378.826 2.951 20 0 GFADRO O=c1ccccn1CC[NH2+]C1(c2cccc(Br)c2)CCOCC1 ZINC000586829952 565118036 /nfs/dbraw/zinc/11/80/36/565118036.db2.gz CAKUDEKLHSQOGG-UHFFFAOYSA-N 1 0 377.282 2.906 20 0 GFADRO O=C(N[C@H](CO)C[NH+]1CCCCC1)c1c(Cl)cccc1Br ZINC000614660550 565127037 /nfs/dbraw/zinc/12/70/37/565127037.db2.gz KBEPPONWFQPALJ-NSHDSACASA-N 1 0 375.694 2.679 20 0 GFADRO C[NH+](C)C[C@H](CO)NC(=O)Cc1csc(-c2ccc(Cl)cc2Cl)n1 ZINC000614852030 565135364 /nfs/dbraw/zinc/13/53/64/565135364.db2.gz FTONQJQXRHHQPI-GFCCVEGCSA-N 1 0 388.320 2.698 20 0 GFADRO Cn1ccc(CCNC(=O)N[C@@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)n1 ZINC000637047147 565135864 /nfs/dbraw/zinc/13/58/64/565135864.db2.gz QPYWHWZUEXVYJP-INIZCTEOSA-N 1 0 384.311 2.872 20 0 GFADRO COc1cc(F)c(S(=O)(=O)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)c(F)c1 ZINC000588678913 565136745 /nfs/dbraw/zinc/13/67/45/565136745.db2.gz CCSVQTLNWVGOEX-LBPRGKRZSA-N 1 0 376.469 2.762 20 0 GFADRO COC(=O)[C@H](c1cccc(Cl)c1Cl)N1CC[N@H+](CCO)C(C)(C)C1 ZINC000614920881 565139342 /nfs/dbraw/zinc/13/93/42/565139342.db2.gz XHBLWUBRZIDLFD-HNNXBMFYSA-N 1 0 375.296 2.596 20 0 GFADRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)C(=O)Nc1cccc(Br)c1F ZINC000657948523 565139687 /nfs/dbraw/zinc/13/96/87/565139687.db2.gz IJQYVRAGFDALRO-VXGBXAGGSA-N 1 0 398.276 2.612 20 0 GFADRO Cc1cc(Br)c(Cl)cc1NC(=O)C(=O)NC[C@H](C)C[NH+](C)C ZINC000657964830 565140839 /nfs/dbraw/zinc/14/08/39/565140839.db2.gz AKZSJQUCSHCWMG-VIFPVBQESA-N 1 0 390.709 2.663 20 0 GFADRO COC[C@](C)(O)CCNC(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000637181620 565142962 /nfs/dbraw/zinc/14/29/62/565142962.db2.gz IFXVFWYWLJNNJH-DOTOQJQBSA-N 1 0 392.327 2.683 20 0 GFADRO CC(C)[C@H](Cc1ccc(Br)cc1)[NH2+]CCCn1cc(CO)nn1 ZINC000658017516 565146035 /nfs/dbraw/zinc/14/60/35/565146035.db2.gz VCSJCMGLJMCDNY-KRWDZBQOSA-N 1 0 381.318 2.780 20 0 GFADRO COc1ccc(Br)cc1C[C@@H](CO)C[NH2+][C@H]1COC2(CCC2)C1 ZINC000658032351 565147032 /nfs/dbraw/zinc/14/70/32/565147032.db2.gz QQKLZHGYYPQETJ-CZUORRHYSA-N 1 0 384.314 2.910 20 0 GFADRO C[NH+]1CCC(CC(=O)N2CC[C@@H](Oc3cncc(Br)c3)C2)CC1 ZINC000615128205 565147430 /nfs/dbraw/zinc/14/74/30/565147430.db2.gz VTILNNLPWIBGID-OAHLLOKOSA-N 1 0 382.302 2.556 20 0 GFADRO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]Cc1cnc(C(F)(F)F)nc1 ZINC000658081352 565149276 /nfs/dbraw/zinc/14/92/76/565149276.db2.gz DBDRRRPKCGIGEB-VIFPVBQESA-N 1 0 391.191 2.598 20 0 GFADRO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]Cc1cccnc1N1CCCC1 ZINC000658106063 565150446 /nfs/dbraw/zinc/15/04/46/565150446.db2.gz NUJCZKNJBBKUPB-AWEZNQCLSA-N 1 0 391.313 2.784 20 0 GFADRO COC1([C@H](C)[NH2+]CCNC(=O)c2ccc(Br)cn2)CCCCC1 ZINC000658097705 565150835 /nfs/dbraw/zinc/15/08/35/565150835.db2.gz YYTPDOSNNAEEEZ-ZDUSSCGKSA-N 1 0 384.318 2.901 20 0 GFADRO Cc1cc(Br)cc(NC(=O)C(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)c1 ZINC000658127532 565151450 /nfs/dbraw/zinc/15/14/50/565151450.db2.gz XBTTUTHEYDJQJF-CQSZACIVSA-N 1 0 382.302 2.685 20 0 GFADRO OCCO[C@]1(C[NH2+][C@@H](Cc2ccccc2Br)C2CC2)CCOC1 ZINC000658147271 565152955 /nfs/dbraw/zinc/15/29/55/565152955.db2.gz YEPXIOOMCOVRCD-ROUUACIJSA-N 1 0 384.314 2.528 20 0 GFADRO OCCO[C@]1(C[NH2+][C@@H](c2ccc(Br)cc2F)C2CC2)CCOC1 ZINC000658143278 565153270 /nfs/dbraw/zinc/15/32/70/565153270.db2.gz HBDDCZYRKCMFPX-SJORKVTESA-N 1 0 388.277 2.797 20 0 GFADRO CC[C@@H]([NH2+]C[C@]1(OCCO)CCOC1)c1cc(F)cc(Br)c1 ZINC000658150407 565153540 /nfs/dbraw/zinc/15/35/40/565153540.db2.gz ZZKPELQTZJESGP-HZPDHXFCSA-N 1 0 376.266 2.797 20 0 GFADRO C[C@H]([NH2+]C[C@]1(OCCO)CCOC1)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000658147828 565153623 /nfs/dbraw/zinc/15/36/23/565153623.db2.gz HGSKNBSPLOBOFL-GDZNZVCISA-N 1 0 378.296 2.907 20 0 GFADRO COc1ncc(Br)cc1CNC(=O)N1CC[C@H]([NH+]2CCCC2)[C@H]1C ZINC000637406438 565154218 /nfs/dbraw/zinc/15/42/18/565154218.db2.gz ZERBPBRLGLTAFU-DOMZBBRYSA-N 1 0 397.317 2.621 20 0 GFADRO C[C@@H](Cn1cc(Br)ccc1=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000658228734 565155764 /nfs/dbraw/zinc/15/57/64/565155764.db2.gz LRYYWFPDKIOEFH-HOCLYGCPSA-N 1 0 382.346 2.996 20 0 GFADRO C[C@@H]([NH2+]C[C@@H](CO)CC1CC1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000658254222 565155860 /nfs/dbraw/zinc/15/58/60/565155860.db2.gz QHYAZGUSGFIUKK-KOLCDFICSA-N 1 0 381.325 2.700 20 0 GFADRO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1cc(=O)[nH]c2ccc(Br)cc21 ZINC000615309364 565156970 /nfs/dbraw/zinc/15/69/70/565156970.db2.gz SVENBGHIIBGDLN-BMIGLBTASA-N 1 0 378.270 2.868 20 0 GFADRO CC[C@@H]([NH2+]CCc1cncc(C)n1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000658261140 565157755 /nfs/dbraw/zinc/15/77/55/565157755.db2.gz FLSAAGQKBHUICB-MRXNPFEDSA-N 1 0 382.917 2.630 20 0 GFADRO C[NH+](C)C[C@@H](NC(=O)N[C@@H]1Cc2cncn2C1)c1ccc(Cl)c(Cl)c1 ZINC000637474178 565159047 /nfs/dbraw/zinc/15/90/47/565159047.db2.gz XCWFUJJQWJSLCU-MLGOLLRUSA-N 1 0 382.295 2.717 20 0 GFADRO CN(Cc1cn(C)nn1)C(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000637472119 565159127 /nfs/dbraw/zinc/15/91/27/565159127.db2.gz FDZGCZSKBKTPFY-HNNXBMFYSA-N 1 0 385.299 2.566 20 0 GFADRO O=S1(=O)CC[C@H]([NH2+]CC2CCC(O)CC2)c2cc(Br)ccc21 ZINC000658285542 565159262 /nfs/dbraw/zinc/15/92/62/565159262.db2.gz LACKFCSNZQJWSP-HGMXIMQMSA-N 1 0 388.327 2.808 20 0 GFADRO C[C@@H]([NH2+]C[C@@H]1CCOC1(C)C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000658331428 565160431 /nfs/dbraw/zinc/16/04/31/565160431.db2.gz OGQTXMCWFJWMSM-PWSUYJOCSA-N 1 0 391.331 2.562 20 0 GFADRO CCN(C(=O)C(=O)Nc1cc(C)c(Br)c(C)c1)[C@@H]1CC[N@H+](C)C1 ZINC000658361360 565161384 /nfs/dbraw/zinc/16/13/84/565161384.db2.gz LWDMWBGINQQPAX-CQSZACIVSA-N 1 0 382.302 2.557 20 0 GFADRO CN(CCCN1CC[NH+](C)CC1)C(=O)NCc1ccsc1C(F)(F)F ZINC000637591750 565162245 /nfs/dbraw/zinc/16/22/45/565162245.db2.gz GGTPBJBPSIQUSM-UHFFFAOYSA-N 1 0 378.464 2.546 20 0 GFADRO [NH3+]C[C@@H](NS(=O)(=O)c1cc(Cl)c(Cl)cc1Br)C1CC1 ZINC000658371413 565162995 /nfs/dbraw/zinc/16/29/95/565162995.db2.gz XZESRDSBHAZVBR-SNVBAGLBSA-N 1 0 388.114 2.772 20 0 GFADRO CC(C)C[C@@](C)(C[NH3+])NS(=O)(=O)Cc1cc(F)ccc1Br ZINC000658369233 565163126 /nfs/dbraw/zinc/16/31/26/565163126.db2.gz VHZGYTFRHZZRSM-AWEZNQCLSA-N 1 0 381.311 2.771 20 0 GFADRO Cc1c(Cl)cccc1-n1ccnc1SCC(=O)N1CC(C[NH+](C)C)C1 ZINC000615515386 565164176 /nfs/dbraw/zinc/16/41/76/565164176.db2.gz XERHOFGGLNLZCC-UHFFFAOYSA-N 1 0 378.929 2.946 20 0 GFADRO [NH3+]CC[C@@H]1CCCN(S(=O)(=O)c2cc(Cl)cc(Br)c2)C1 ZINC000658377873 565164652 /nfs/dbraw/zinc/16/46/52/565164652.db2.gz GZNJPZREZHLWRY-JTQLQIEISA-N 1 0 381.723 2.852 20 0 GFADRO CCCOc1ccc(Br)cc1S(=O)(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000658378578 565164740 /nfs/dbraw/zinc/16/47/40/565164740.db2.gz UOZHINJLXWKBPV-AAEUAGOBSA-N 1 0 391.331 2.514 20 0 GFADRO C[C@H]1CCCC[C@]1(C[NH3+])NS(=O)(=O)Cc1cc(F)ccc1Br ZINC000658378472 565165042 /nfs/dbraw/zinc/16/50/42/565165042.db2.gz YYLRVQUGHLKLPA-XHDPSFHLSA-N 1 0 393.322 2.915 20 0 GFADRO C[C@H]1CCN(S(=O)(=O)c2cc(Cl)ccc2OC(F)(F)F)C[C@H]1C[NH3+] ZINC000658382602 565165696 /nfs/dbraw/zinc/16/56/96/565165696.db2.gz RNEOZXKRLPRAED-VHSXEESVSA-N 1 0 386.823 2.844 20 0 GFADRO O=S(=O)(c1cccc(Br)c1)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000658384724 565165749 /nfs/dbraw/zinc/16/57/49/565165749.db2.gz IVMQQVQTOBFFOW-CQSZACIVSA-N 1 0 387.343 2.849 20 0 GFADRO C[C@H]1CCN(S(=O)(=O)c2cc(Cl)cc(Br)c2)C[C@H]1C[NH3+] ZINC000658382665 565165822 /nfs/dbraw/zinc/16/58/22/565165822.db2.gz VVJDVRPQMIOVBU-VHSXEESVSA-N 1 0 381.723 2.708 20 0 GFADRO CCCOc1ccc(Br)cc1S(=O)(=O)NCCC[NH2+]C1CC1 ZINC000658381568 565165915 /nfs/dbraw/zinc/16/59/15/565165915.db2.gz URQNTWSCDTYAGF-UHFFFAOYSA-N 1 0 391.331 2.658 20 0 GFADRO CCCOc1ccc(Br)cc1S(=O)(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000658381545 565166135 /nfs/dbraw/zinc/16/61/35/565166135.db2.gz UHJGYKLGQJQROK-WCQYABFASA-N 1 0 391.331 2.644 20 0 GFADRO CN(CC(C)(C)[NH3+])S(=O)(=O)c1cc(Br)cc(C(F)(F)F)c1 ZINC000658389689 565167150 /nfs/dbraw/zinc/16/71/50/565167150.db2.gz OJWZGTQYFRKYGB-UHFFFAOYSA-N 1 0 389.237 2.826 20 0 GFADRO O=S(=O)(c1cccc(Br)c1)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000658387446 565167181 /nfs/dbraw/zinc/16/71/81/565167181.db2.gz ROSDGDKNWHKKGQ-AWEZNQCLSA-N 1 0 387.343 2.849 20 0 GFADRO O=S(=O)(c1cnccc1C(F)(F)F)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000658387276 565167197 /nfs/dbraw/zinc/16/71/97/565167197.db2.gz NPSQEVUYZZPDAJ-ZDUSSCGKSA-N 1 0 377.432 2.501 20 0 GFADRO O=S(=O)(c1c(F)c(F)cc(F)c1F)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000658385957 565167208 /nfs/dbraw/zinc/16/72/08/565167208.db2.gz XBZJCPHMNDUGDV-NSHDSACASA-N 1 0 380.407 2.643 20 0 GFADRO CCOc1c(Cl)cc(NC(=O)C(=O)NCC[C@H](C)[NH+](C)C)cc1Cl ZINC000658425777 565169319 /nfs/dbraw/zinc/16/93/19/565169319.db2.gz HALKSMQQBMPQET-JTQLQIEISA-N 1 0 376.284 2.787 20 0 GFADRO C[C@@H](CCNC(=O)C(=O)Nc1ccc(OC(F)(F)F)c(Cl)c1)[NH+](C)C ZINC000658428537 565169762 /nfs/dbraw/zinc/16/97/62/565169762.db2.gz MMZNAWHLCIUKPZ-VIFPVBQESA-N 1 0 381.782 2.634 20 0 GFADRO Cc1nc(NC(=O)[C@@H]2OCC[C@@H]2[NH3+])sc1Cc1cccc(Br)c1 ZINC000637937260 565176857 /nfs/dbraw/zinc/17/68/57/565176857.db2.gz RBONLVVRSZNIGR-GXTWGEPZSA-N 1 0 396.310 2.860 20 0 GFADRO CO[C@@]1(C[NH+]2CCC(C(=O)Nc3cccc(Br)c3)CC2)CCOC1 ZINC000637991561 565180474 /nfs/dbraw/zinc/18/04/74/565180474.db2.gz RUPFQZSVHGXVEN-GOSISDBHSA-N 1 0 397.313 2.905 20 0 GFADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)NCc3ccc(Cl)c(Cl)c3)CC[C@@H]21 ZINC000658705396 565184009 /nfs/dbraw/zinc/18/40/09/565184009.db2.gz GAMIJPIVRKSMJT-CJNGLKHVSA-N 1 0 384.307 2.552 20 0 GFADRO O=C(c1cccc2c(Br)cccc12)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000638240228 565188462 /nfs/dbraw/zinc/18/84/62/565188462.db2.gz HNBPIIHGPIRHPP-CQSZACIVSA-N 1 0 388.309 2.722 20 0 GFADRO CN1CC[NH+](CCCCNC(=O)c2c[nH]c3ccc(Br)cc23)CC1 ZINC000590499416 565190137 /nfs/dbraw/zinc/19/01/37/565190137.db2.gz CGSMSZLEQVDJLT-UHFFFAOYSA-N 1 0 393.329 2.688 20 0 GFADRO CO[C@H](C[NH2+]Cc1nnc2c(Cl)cc(C(F)(F)F)cn12)[C@H]1CCOC1 ZINC000638344297 565192851 /nfs/dbraw/zinc/19/28/51/565192851.db2.gz TWSPJNOSKOBKIM-JOYOIKCWSA-N 1 0 378.782 2.543 20 0 GFADRO COC1(C(=O)N2CC[C@H](Sc3ccc(Br)cc3)C2)CC[NH2+]CC1 ZINC000638471945 565197994 /nfs/dbraw/zinc/19/79/94/565197994.db2.gz CFFWUJNNYRZUMY-HNNXBMFYSA-N 1 0 399.354 2.911 20 0 GFADRO C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)CCO1 ZINC000658999255 565198057 /nfs/dbraw/zinc/19/80/57/565198057.db2.gz YSDHHJFXCJQTRG-CYBMUJFWSA-N 1 0 388.295 2.501 20 0 GFADRO C[NH2+]C[C@@H](C)NC(=O)Nc1ccc(CCn2cc(Br)cn2)cc1 ZINC000658996293 565198273 /nfs/dbraw/zinc/19/82/73/565198273.db2.gz IILMIQXQBWQGQO-GFCCVEGCSA-N 1 0 380.290 2.618 20 0 GFADRO CO[C@H](C[NH2+]CCCNC(=O)c1ccc(Br)cc1)C1CCOCC1 ZINC000638489537 565198397 /nfs/dbraw/zinc/19/83/97/565198397.db2.gz NPPYJJVLDXUUBU-QGZVFWFLSA-N 1 0 399.329 2.600 20 0 GFADRO CCOc1cc(Br)c(F)cc1NC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000659014904 565199109 /nfs/dbraw/zinc/19/91/09/565199109.db2.gz YAMJQSQJCNEABU-MWLCHTKSSA-N 1 0 378.217 2.890 20 0 GFADRO CC[C@@H](Cc1ccc(Br)cc1)NC(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000659026206 565199644 /nfs/dbraw/zinc/19/96/44/565199644.db2.gz ZKUCYEBLMHNCAQ-NWDGAFQWSA-N 1 0 382.224 2.959 20 0 GFADRO O=C(c1cc([C@H]2CC[NH2+]C2)[nH]n1)N1CC2(CC2)c2ccc(Br)cc21 ZINC000638535772 565200511 /nfs/dbraw/zinc/20/05/11/565200511.db2.gz FKJDEGQRFJAWSA-NSHDSACASA-N 1 0 387.281 2.941 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)[C@H](C[C@H]2CCCO2)C(F)(F)F)CC[C@H]1C(F)(F)F ZINC000638558162 565201350 /nfs/dbraw/zinc/20/13/50/565201350.db2.gz OAYCEZGOOFUFLL-KKOKHZNYSA-N 1 0 376.341 2.720 20 0 GFADRO C[C@H](CC(=O)N1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1)n1cc(Br)cn1 ZINC000638556717 565201682 /nfs/dbraw/zinc/20/16/82/565201682.db2.gz DXOONGQXDLNLRU-SCVCMEIPSA-N 1 0 397.239 2.582 20 0 GFADRO COc1ccc(Cl)cc1NCC(=O)N1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000638556235 565202067 /nfs/dbraw/zinc/20/20/67/565202067.db2.gz JQRLYZUTXUHEHX-PWSUYJOCSA-N 1 0 379.810 2.746 20 0 GFADRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)c1nn(-c2ccc(F)cc2)cc1Br ZINC000638571175 565203339 /nfs/dbraw/zinc/20/33/39/565203339.db2.gz MAADOUIUXIJMNY-UONOGXRCSA-N 1 0 381.249 2.644 20 0 GFADRO O=C(C[C@H]1COCC[NH2+]1)N[C@@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC000638597018 565203844 /nfs/dbraw/zinc/20/38/44/565203844.db2.gz VZFLXMLXPQQNOD-BLLLJJGKSA-N 1 0 392.297 2.803 20 0 GFADRO O=C(NCc1ccc(Br)c(F)c1F)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000638599893 565204317 /nfs/dbraw/zinc/20/43/17/565204317.db2.gz POTPSEFUFMLUMZ-GFCCVEGCSA-N 1 0 399.239 2.778 20 0 GFADRO C[C@H](c1ccccc1)[C@H](CO)[NH2+]Cc1cnn2cc(Br)cnc12 ZINC000638609907 565204591 /nfs/dbraw/zinc/20/45/91/565204591.db2.gz HMUOFJJUQLIKKO-WBMJQRKESA-N 1 0 375.270 2.746 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000638648252 565205487 /nfs/dbraw/zinc/20/54/87/565205487.db2.gz KRGRAWKQEHWSST-ZNMIVQPWSA-N 1 0 384.567 2.608 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+]CC2(c3cccc(Br)c3)CC2)o1 ZINC000638632346 565205998 /nfs/dbraw/zinc/20/59/98/565205998.db2.gz QIVMVCKAEKYJTA-UHFFFAOYSA-N 1 0 385.283 2.511 20 0 GFADRO [NH3+]CCCOCCNC(=O)c1ccc(Oc2cccc(Cl)c2Cl)nn1 ZINC000638659416 565206045 /nfs/dbraw/zinc/20/60/45/565206045.db2.gz CVOKMCGWGGKVFK-UHFFFAOYSA-N 1 0 385.251 2.671 20 0 GFADRO Cc1cc(Br)ccc1[C@H]1CCCN1C(=O)c1cn(CCC[NH3+])nn1 ZINC000638690322 565206619 /nfs/dbraw/zinc/20/66/19/565206619.db2.gz VJEJSMATCGWPMA-MRXNPFEDSA-N 1 0 392.301 2.675 20 0 GFADRO Cc1cc(Br)ccc1[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]([NH3+])C(C)C ZINC000638685751 565206880 /nfs/dbraw/zinc/20/68/80/565206880.db2.gz FKDXGWHNVGZDLQ-RDJZCZTQSA-N 1 0 396.329 2.521 20 0 GFADRO COc1nsc(C[NH2+]CCCNC(=O)c2occc2C)c1Br ZINC000638671217 565207305 /nfs/dbraw/zinc/20/73/05/565207305.db2.gz VIQLYRQSEQFBQX-UHFFFAOYSA-N 1 0 388.287 2.725 20 0 GFADRO COC1(C(=O)N2C[C@@H](c3ccc(Br)cc3)C[C@@H]2C)CC[NH2+]CC1 ZINC000638701200 565208331 /nfs/dbraw/zinc/20/83/31/565208331.db2.gz ZATMICDDMQFCIA-ZFWWWQNUSA-N 1 0 381.314 2.922 20 0 GFADRO COc1nsc(CNC2CC[NH+](CCOC(C)C)CC2)c1Br ZINC000638730457 565208498 /nfs/dbraw/zinc/20/84/98/565208498.db2.gz WKYHEZPWANWOEF-UHFFFAOYSA-N 1 0 392.363 2.893 20 0 GFADRO [NH3+]C1(C(=O)NCCOc2ncc(C(F)(F)F)cc2Cl)CC2(CCC2)C1 ZINC000659264269 565209257 /nfs/dbraw/zinc/20/92/57/565209257.db2.gz KDHLSAUIWCOFIW-UHFFFAOYSA-N 1 0 377.794 2.910 20 0 GFADRO CC[C@](C)(COc1ncccc1Cl)[NH2+]Cc1ccc(S(N)(=O)=O)cc1 ZINC000638781386 565211582 /nfs/dbraw/zinc/21/15/82/565211582.db2.gz DFHFAHKHWJDSNL-QGZVFWFLSA-N 1 0 383.901 2.720 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)Cc2ccc(Br)c(Br)c2)C1 ZINC000659306454 565211854 /nfs/dbraw/zinc/21/18/54/565211854.db2.gz OHSSGNWKXRGSOK-GXSJLCMTSA-N 1 0 390.119 2.950 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)Cc2ccc(Br)c(Br)c2)C1 ZINC000659306458 565211929 /nfs/dbraw/zinc/21/19/29/565211929.db2.gz OHSSGNWKXRGSOK-MWLCHTKSSA-N 1 0 390.119 2.950 20 0 GFADRO Cc1cc(Br)c2c(c1)CCN(C(=O)c1c[nH]nc1[C@@H]1CC[NH2+]C1)C2 ZINC000638822733 565213497 /nfs/dbraw/zinc/21/34/97/565213497.db2.gz BTLFZLUPIFJKRK-CYBMUJFWSA-N 1 0 389.297 2.756 20 0 GFADRO O=C(c1cn([C@H]2CCC[NH2+]C2)nn1)N1CCc2ccc(Cl)c(Cl)c2C1 ZINC000659338246 565214256 /nfs/dbraw/zinc/21/42/56/565214256.db2.gz PCLWMUFXJXAGHI-LBPRGKRZSA-N 1 0 380.279 2.708 20 0 GFADRO O=C([C@@H]1C[C@H]2C[C@H]2[NH2+]1)N1CC2(CCOCC2)c2ccc(Br)cc21 ZINC000638842594 565214430 /nfs/dbraw/zinc/21/44/30/565214430.db2.gz VRVYHQDIQSLYLB-DFBGVHRSSA-N 1 0 377.282 2.594 20 0 GFADRO O=C(C[NH2+]C[C@H]1CCCO1)NCC1(Cc2ccc(Br)cc2)CC1 ZINC000659359468 565214672 /nfs/dbraw/zinc/21/46/72/565214672.db2.gz RTIZVVBFXSSFPI-MRXNPFEDSA-N 1 0 381.314 2.657 20 0 GFADRO COC[C@]1(C(=O)N[C@@H]2CCCCc3cc(Br)ccc32)CC[NH2+]C1 ZINC000659387129 565215262 /nfs/dbraw/zinc/21/52/62/565215262.db2.gz WVRAPLPDUPIFKL-AEFFLSMTSA-N 1 0 381.314 2.959 20 0 GFADRO C[C@H](CC(=O)NCC[C@@H]([NH3+])Cc1ccccc1)n1cc(Br)cn1 ZINC000638882679 565215400 /nfs/dbraw/zinc/21/54/00/565215400.db2.gz UTYZYWOHDIQNHA-CZUORRHYSA-N 1 0 379.302 2.673 20 0 GFADRO CC[C@H](Cc1ccc(Br)cc1)NC(=O)C1(COC)CC[NH2+]CC1 ZINC000659381144 565215657 /nfs/dbraw/zinc/21/56/57/565215657.db2.gz FBVICYPWNPWOHP-MRXNPFEDSA-N 1 0 383.330 2.903 20 0 GFADRO CCCOc1c(Br)cc(C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)cc1OC ZINC000659390824 565215719 /nfs/dbraw/zinc/21/57/19/565215719.db2.gz IMDFJVDVZHNMPQ-CHWSQXEVSA-N 1 0 389.265 2.758 20 0 GFADRO CN(CC(C)(C)[NH3+])C(=O)NCc1cnn(-c2ccc(Br)cc2)c1 ZINC000659486816 565217504 /nfs/dbraw/zinc/21/75/04/565217504.db2.gz IZRWNTBAKWHFAK-UHFFFAOYSA-N 1 0 380.290 2.514 20 0 GFADRO C[C@H](Cc1ccc(F)c(Br)c1)NC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000659470887 565217669 /nfs/dbraw/zinc/21/76/69/565217669.db2.gz IVNYOIUQMYBBNU-OWYVNGRQSA-N 1 0 376.245 2.600 20 0 GFADRO CO[C@H](c1ccccc1Cl)[C@@H](C)[NH2+]Cc1ccc(S(N)(=O)=O)cc1F ZINC000638912066 565218104 /nfs/dbraw/zinc/21/81/04/565218104.db2.gz HPBSWXVEHAEVBJ-DIFFPNOSSA-N 1 0 386.876 2.992 20 0 GFADRO CO[C@@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000659478304 565218028 /nfs/dbraw/zinc/21/80/28/565218028.db2.gz RUFUHAQSTKOEJZ-JUDXGUMMSA-N 1 0 388.281 2.606 20 0 GFADRO [NH3+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CCO[C@H]2c2cncc(Br)c2)CC1 ZINC000638950929 565218770 /nfs/dbraw/zinc/21/87/70/565218770.db2.gz UGHPJPZJQGTXNE-MPESAESLSA-N 1 0 382.302 2.555 20 0 GFADRO C[C@H](NC(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1)c1ncc(Br)cn1 ZINC000659496554 565218956 /nfs/dbraw/zinc/21/89/56/565218956.db2.gz RGYFYXYKPCQCRW-JSGCOSHPSA-N 1 0 396.333 2.721 20 0 GFADRO CC(=O)N[C@H](CC(=O)N[C@H]1CC[C@H](C[NH3+])CC1)c1ccc(Br)cc1 ZINC000638945943 565218964 /nfs/dbraw/zinc/21/89/64/565218964.db2.gz KRQKKXWMUUNDGZ-KBRIMQKVSA-N 1 0 396.329 2.650 20 0 GFADRO CCO[C@@H]1C[C@@]([NH3+])(C(=O)N[C@@H]2[C@H]3Cc4cc(Br)ccc4[C@@H]23)C1(C)C ZINC000638942219 565219042 /nfs/dbraw/zinc/21/90/42/565219042.db2.gz FBLXKRGHZAPXPA-YAFCLFEMSA-N 1 0 393.325 2.736 20 0 GFADRO C[C@@]1(CNC(=O)N2CCOC[C@H]2c2ccc(Br)cc2)CCC[NH2+]C1 ZINC000659530360 565219476 /nfs/dbraw/zinc/21/94/76/565219476.db2.gz QFUQMTKHZZFUGB-FUHWJXTLSA-N 1 0 396.329 2.922 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)c1cnc2ncc(Br)cc2c1 ZINC000617009365 565219698 /nfs/dbraw/zinc/21/96/98/565219698.db2.gz XQMUTEPCESFIEK-AWEZNQCLSA-N 1 0 377.286 2.995 20 0 GFADRO O=C(N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)N1CCc2sc(Br)cc2C1 ZINC000659557569 565220394 /nfs/dbraw/zinc/22/03/94/565220394.db2.gz SBEWOOZBXZOEBI-DMDPSCGWSA-N 1 0 384.343 2.966 20 0 GFADRO O=C(NC[C@@H]1C[NH2+]CCO1)N[C@H]1CCCCc2cc(Br)ccc21 ZINC000659555346 565220490 /nfs/dbraw/zinc/22/04/90/565220490.db2.gz QCCHNGDCCMAJBZ-HOCLYGCPSA-N 1 0 382.302 2.504 20 0 GFADRO CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000659633214 565221070 /nfs/dbraw/zinc/22/10/70/565221070.db2.gz RCYQQYXUJCHTAB-UHFFFAOYSA-N 1 0 384.267 2.679 20 0 GFADRO CC[C@H](Cc1ccc(Br)cc1)NC(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000659624377 565221468 /nfs/dbraw/zinc/22/14/68/565221468.db2.gz NGFIRUUKQKRJGZ-APHBMKBZSA-N 1 0 384.318 2.528 20 0 GFADRO COC(=O)c1cc(NC(=O)N[C@@](C)(C[NH3+])C(C)C)c(Br)cc1F ZINC000591287310 565221826 /nfs/dbraw/zinc/22/18/26/565221826.db2.gz MCOWGKIOOCLYNP-HNNXBMFYSA-N 1 0 390.253 2.870 20 0 GFADRO CC[C@H](c1ccc(Br)cc1)N1CCN(C(=O)N[C@H](C)C[NH2+]C)CC1 ZINC000659647918 565222264 /nfs/dbraw/zinc/22/22/64/565222264.db2.gz YRXLLFNGECBHFW-RHSMWYFYSA-N 1 0 397.361 2.835 20 0 GFADRO CC(C)CNC(=O)CCC[NH+]1CCN(c2ccc(Br)cn2)CC1 ZINC000659827375 565224765 /nfs/dbraw/zinc/22/47/65/565224765.db2.gz UWCSXBSIRFNTMN-UHFFFAOYSA-N 1 0 383.334 2.519 20 0 GFADRO CO[C@H](C[NH+]1CCN(Cc2ccc(Br)s2)CC1)[C@H]1CCOC1 ZINC000659832527 565225314 /nfs/dbraw/zinc/22/53/14/565225314.db2.gz UTADDEVTNGOGNA-DZGCQCFKSA-N 1 0 389.359 2.680 20 0 GFADRO CO[C@H](C[NH2+]C[C@@H](CO)Cc1ccc(Br)cc1)C1CCOCC1 ZINC000639105828 565225917 /nfs/dbraw/zinc/22/59/17/565225917.db2.gz RVDALALBPGPLAX-MAUKXSAKSA-N 1 0 386.330 2.631 20 0 GFADRO CN1CC[C@@H]([NH2+]CC(C)(C)OCCO)C[C@H]1c1ccc(Br)cc1 ZINC000639186238 565231974 /nfs/dbraw/zinc/23/19/74/565231974.db2.gz ZHUZGZDXKLMOOJ-SJORKVTESA-N 1 0 385.346 2.962 20 0 GFADRO C[C@H]([NH2+][C@H]1CCCNC(=O)C1)c1ccc(Br)cc1OCCCO ZINC000639198939 565232043 /nfs/dbraw/zinc/23/20/43/565232043.db2.gz UNUDNYRMOATOOU-JSGCOSHPSA-N 1 0 385.302 2.530 20 0 GFADRO OC[C@]1(c2ccccc2)CC[N@H+](Cc2cnn3cc(Br)cnc23)C1 ZINC000639199752 565232210 /nfs/dbraw/zinc/23/22/10/565232210.db2.gz ZHIKJQFXOFEQDF-SFHVURJKSA-N 1 0 387.281 2.628 20 0 GFADRO OC[C@@]1(C[NH2+]Cc2cnn3cc(Br)cnc23)C[C@H]1c1ccccc1 ZINC000639191750 565232373 /nfs/dbraw/zinc/23/23/73/565232373.db2.gz YNXCIIQOBVRNIZ-WMZOPIPTSA-N 1 0 387.281 2.748 20 0 GFADRO NS(=O)(=O)c1ccc(C[N@@H+]2CC[C@@H](Cc3ccc(Br)cc3)C2)o1 ZINC000639207275 565233167 /nfs/dbraw/zinc/23/31/67/565233167.db2.gz NVNBMTSTDXCIIZ-ZDUSSCGKSA-N 1 0 399.310 2.754 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000591659003 565235489 /nfs/dbraw/zinc/23/54/89/565235489.db2.gz OOWGTDVOTFNIGT-UHFFFAOYSA-N 1 0 383.334 2.907 20 0 GFADRO CC[NH+](CC)CCN(CCOC)C(=O)c1ccc(OC)cc1Br ZINC000591680916 565235833 /nfs/dbraw/zinc/23/58/33/565235833.db2.gz YYICFEAFZVEGCC-UHFFFAOYSA-N 1 0 387.318 2.888 20 0 GFADRO C[C@H]1C[C@@H](N(C)CC(=O)c2c[nH]c3ncc(Br)cc23)CC[N@@H+]1C ZINC000659983161 565236041 /nfs/dbraw/zinc/23/60/41/565236041.db2.gz GAPFKSVOZLZPNW-AAEUAGOBSA-N 1 0 379.302 2.923 20 0 GFADRO NS(=O)(=O)c1cc(C[N@@H+]2CC3(CCOCC3)[C@@H]3CCC[C@@H]32)ccc1Cl ZINC000639247562 565236443 /nfs/dbraw/zinc/23/64/43/565236443.db2.gz SDPPJLSUXFPGPH-ZBFHGGJFSA-N 1 0 384.929 2.769 20 0 GFADRO CCC[N@@H+]1CC[C@@H](NS(=O)(=O)c2cc(Cl)ccc2OCCCOC)C1 ZINC000660026675 565240792 /nfs/dbraw/zinc/24/07/92/565240792.db2.gz IRYFXOJDIJAUTI-OAHLLOKOSA-N 1 0 390.933 2.518 20 0 GFADRO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)Cc1cc(F)ccc1Br ZINC000617506400 565244591 /nfs/dbraw/zinc/24/45/91/565244591.db2.gz LYMXIGCTKAGLQA-ZDUSSCGKSA-N 1 0 388.325 2.519 20 0 GFADRO OCCCOC1CC[NH+](C[C@@H](O)COc2cc(Cl)cc(Cl)c2)CC1 ZINC000639514150 565247837 /nfs/dbraw/zinc/24/78/37/565247837.db2.gz BQLOFCYIWJDUNB-OAHLLOKOSA-N 1 0 378.296 2.597 20 0 GFADRO CO[C@H](C)c1noc(CN(C)C[C@H](O)COc2cc(Cl)cc(Cl)c2)n1 ZINC000639509942 565248006 /nfs/dbraw/zinc/24/80/06/565248006.db2.gz QSFSKIRTKIJLIC-MFKMUULPSA-N 1 0 390.267 2.956 20 0 GFADRO CN(Cc1nnc2ccccn21)C[C@@H](O)COc1cc(Cl)cc(Cl)c1 ZINC000639514467 565248206 /nfs/dbraw/zinc/24/82/06/565248206.db2.gz OVIDSEQYZAORNH-CQSZACIVSA-N 1 0 381.263 2.908 20 0 GFADRO Cc1ccc(Cl)c(S(=O)(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)c1Cl ZINC000660090871 565251258 /nfs/dbraw/zinc/25/12/58/565251258.db2.gz KZIGCBCJOPMXDH-CYBMUJFWSA-N 1 0 393.336 2.522 20 0 GFADRO O[C@@H](COc1cc(Cl)cc(Cl)c1)C[N@@H+]1CCC[C@@H](N2CCOCC2)C1 ZINC000639658991 565253712 /nfs/dbraw/zinc/25/37/12/565253712.db2.gz GBJUYHRDDTUFOM-IAGOWNOFSA-N 1 0 389.323 2.530 20 0 GFADRO COc1ccc(C[N@@H+]2CC[C@@H](c3cc(=O)[nH]c(=O)[nH]3)C2)c(Br)c1 ZINC000639715176 565257049 /nfs/dbraw/zinc/25/70/49/565257049.db2.gz ZFKJYHOTIDWGDJ-LLVKDONJSA-N 1 0 380.242 2.648 20 0 GFADRO C[NH+](C)C[C@]1(O)CCCN(Cc2ncc(-c3cccc(Br)c3)o2)C1 ZINC000639761348 565258161 /nfs/dbraw/zinc/25/81/61/565258161.db2.gz HADOXKCYXKLTDP-GOSISDBHSA-N 1 0 394.313 2.993 20 0 GFADRO CN(Cc1ccc(Cl)s1)C(=O)C[NH2+][C@H]([C@H]1CCCO1)C1(CO)CCC1 ZINC000639768136 565258204 /nfs/dbraw/zinc/25/82/04/565258204.db2.gz ANRKKLAMIGXUDZ-RHSMWYFYSA-N 1 0 386.945 2.660 20 0 GFADRO CN(CCC[NH+](C)C)CCNC(=O)CCc1ccc(Br)cc1F ZINC000617767171 565258736 /nfs/dbraw/zinc/25/87/36/565258736.db2.gz JKPWTEMUONWDGR-UHFFFAOYSA-N 1 0 388.325 2.521 20 0 GFADRO CSc1ccc(S(=O)(=O)N2CC3(CCCC3)OC[C@H]2C[NH+](C)C)cc1 ZINC000660151174 565260596 /nfs/dbraw/zinc/26/05/96/565260596.db2.gz PSHKYNBVCRUJII-OAHLLOKOSA-N 1 0 384.567 2.672 20 0 GFADRO CNC(=O)c1ccc(C[N@@H+]2CC[C@H](Oc3cncc(Br)c3)C2)cc1 ZINC000639773924 565260720 /nfs/dbraw/zinc/26/07/20/565260720.db2.gz RKKQXCUWHGVHHB-INIZCTEOSA-N 1 0 390.281 2.857 20 0 GFADRO CC[N@@H+]1C[C@H](C)N(CC(=O)c2c[nH]c3ncc(Br)cc23)C[C@H]1C ZINC000660156015 565260891 /nfs/dbraw/zinc/26/08/91/565260891.db2.gz POICMQBEADSHDX-NEPJUHHUSA-N 1 0 379.302 2.923 20 0 GFADRO C[NH+]1CCC(n2cc(NC(=O)Nc3cncc(Br)c3)cn2)CC1 ZINC000639887478 565265917 /nfs/dbraw/zinc/26/59/17/565265917.db2.gz NXFOBPCTEJTXEW-UHFFFAOYSA-N 1 0 379.262 2.951 20 0 GFADRO C[C@@H]1C[C@H](c2ccc(Br)cc2)C[N@@H+]1C[C@H](O)CC1(O)CCOCC1 ZINC000639893258 565266071 /nfs/dbraw/zinc/26/60/71/565266071.db2.gz FGXHFPQHQABREI-UWWQBHOKSA-N 1 0 398.341 2.919 20 0 GFADRO C[N@H+](C[C@H](O)COc1cc(Cl)cc(Cl)c1)C[C@H]1CCNC(=O)CC1 ZINC000639918497 565267195 /nfs/dbraw/zinc/26/71/95/565267195.db2.gz LXIBTNGYGRCGRO-DOMZBBRYSA-N 1 0 375.296 2.581 20 0 GFADRO CC[C@H]1CN(C(=O)c2cc(F)ccc2I)CC[C@H]1[NH3+] ZINC000592333275 565270150 /nfs/dbraw/zinc/27/01/50/565270150.db2.gz WERWAVZYFVXVGV-TVQRCGJNSA-N 1 0 376.213 2.630 20 0 GFADRO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)c1ccc(Cl)c(I)c1 ZINC000592334580 565270415 /nfs/dbraw/zinc/27/04/15/565270415.db2.gz BHCJRLVKXMIVPX-UWVGGRQHSA-N 1 0 396.631 2.717 20 0 GFADRO CC(C)(C(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)c1ccc(Br)cc1 ZINC000592404766 565273462 /nfs/dbraw/zinc/27/34/62/565273462.db2.gz NDDBOQYFUKMJOZ-IRXDYDNUSA-N 1 0 395.341 2.784 20 0 GFADRO OC[C@@H]1C[N@H+](C[C@@H](O)COc2c(Cl)cccc2Cl)C[C@H]1C(F)(F)F ZINC000640040881 565276297 /nfs/dbraw/zinc/27/62/97/565276297.db2.gz KGWXIXHVTFAMKU-HBNTYKKESA-N 1 0 388.213 2.836 20 0 GFADRO CN(CC1C[NH+](C)C1)C(=O)Cc1csc(COc2ccc(Cl)cc2)n1 ZINC000618195934 565279501 /nfs/dbraw/zinc/27/95/01/565279501.db2.gz APZUIADHAWTVQL-UHFFFAOYSA-N 1 0 379.913 2.938 20 0 GFADRO [NH3+]C[C@@H]1CCCn2ncc(C(=O)NCc3ccc(Br)c(F)c3)c21 ZINC000592510560 565279817 /nfs/dbraw/zinc/27/98/17/565279817.db2.gz JUGSYZGBFKYGKB-NSHDSACASA-N 1 0 381.249 2.551 20 0 GFADRO C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)N(C)CC1C[NH+](C)C1 ZINC000618196204 565279832 /nfs/dbraw/zinc/27/98/32/565279832.db2.gz NKGXRLPSUNVWIJ-SNVBAGLBSA-N 1 0 375.694 2.890 20 0 GFADRO CN(Cc1csc(Br)c1)C(=O)c1cnn2c1[C@@H](C[NH3+])CCC2 ZINC000592501319 565279886 /nfs/dbraw/zinc/27/98/86/565279886.db2.gz VDTIVBKQAOBECK-LLVKDONJSA-N 1 0 383.315 2.815 20 0 GFADRO Cc1nn(C)c(NC(=O)N2CCC[N@@H+](C3CCCC3)CC2)c1Br ZINC000640164106 565282002 /nfs/dbraw/zinc/28/20/02/565282002.db2.gz HZIIQXUVEJBXNC-UHFFFAOYSA-N 1 0 384.322 2.973 20 0 GFADRO [NH3+]C1(C(=O)NCc2cc(Cl)cc(I)c2)CCCC1 ZINC000592568298 565282175 /nfs/dbraw/zinc/28/21/75/565282175.db2.gz MKQILGYYFXHSMC-UHFFFAOYSA-N 1 0 378.641 2.832 20 0 GFADRO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)CCCc1cc(Cl)sc1Cl ZINC000618306571 565285845 /nfs/dbraw/zinc/28/58/45/565285845.db2.gz BCZUSANMOCSZJC-UHFFFAOYSA-N 1 0 394.368 2.856 20 0 GFADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)Nc1cscc1Br ZINC000640188098 565286763 /nfs/dbraw/zinc/28/67/63/565286763.db2.gz PZUAUIWTEXLTRN-LLVKDONJSA-N 1 0 375.336 2.658 20 0 GFADRO C[C@@H](NC(=O)C[NH2+][C@H]1CCCn2nccc21)c1ccc(Br)cc1 ZINC000640217783 565287921 /nfs/dbraw/zinc/28/79/21/565287921.db2.gz QEUWKGFKSUXFNE-DOMZBBRYSA-N 1 0 377.286 2.948 20 0 GFADRO C[C@@H](c1nc2cc(Cl)ccc2[nH]1)[N@H+](C)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000660710148 565290976 /nfs/dbraw/zinc/29/09/76/565290976.db2.gz PCYLCWDVPDPFND-STQMWFEESA-N 1 0 384.933 2.881 20 0 GFADRO C[C@@H]1[C@H](C(=O)Nc2cc(F)c(I)c(F)c2)CC[N@@H+]1C ZINC000592755914 565292427 /nfs/dbraw/zinc/29/24/27/565292427.db2.gz GRHUMQVNWKJKEH-VXNVDRBHSA-N 1 0 380.176 2.848 20 0 GFADRO CCN1CCCN(CCS(=O)(=O)c2cccc(Br)c2)[C@H](C)C1 ZINC000660790275 565294513 /nfs/dbraw/zinc/29/45/13/565294513.db2.gz GEGZYPUESWTMDZ-CQSZACIVSA-N 1 0 389.359 2.639 20 0 GFADRO C[C@H](CC[NH+](C)C)NC(=O)N1CCN(c2ccc(Br)cc2)CC1 ZINC000660845011 565295513 /nfs/dbraw/zinc/29/55/13/565295513.db2.gz ZJPTYXSIDBIAAO-CQSZACIVSA-N 1 0 383.334 2.621 20 0 GFADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)c1csc(-c2ccc(Cl)s2)n1 ZINC000592793787 565296043 /nfs/dbraw/zinc/29/60/43/565296043.db2.gz KQCBFTIXBSBTBD-LLVKDONJSA-N 1 0 384.958 2.891 20 0 GFADRO C[C@@H](CCNC(=O)Nc1nn(C)cc1Br)[N@H+](C)Cc1ccccc1 ZINC000640308540 565298080 /nfs/dbraw/zinc/29/80/80/565298080.db2.gz CPROUVYYMXVBBI-ZDUSSCGKSA-N 1 0 394.317 3.215 20 0 GFADRO O=C(N[C@H](CO)C[NH+]1CCCC1)c1sc2ccccc2c1Br ZINC000640322828 565301565 /nfs/dbraw/zinc/30/15/65/565301565.db2.gz XSCOUVCRELEKAB-NSHDSACASA-N 1 0 383.311 2.850 20 0 GFADRO O[C@H](COC[C@@H]1CCCO1)C[N@H+]1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000618466603 565301681 /nfs/dbraw/zinc/30/16/81/565301681.db2.gz RMSMFGVILGUVJL-RNJOBUHISA-N 1 0 379.341 2.606 20 0 GFADRO C[C@@H](C[N@H+](C)CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl)C(C)(C)C ZINC000640351107 565302999 /nfs/dbraw/zinc/30/29/99/565302999.db2.gz XBYYIVRZLBYLCJ-NSHDSACASA-N 1 0 375.922 2.540 20 0 GFADRO CCCN(CCC[NH+](C)C)C(=O)Nc1nnc(C(F)(F)C(F)(F)F)s1 ZINC000640387186 565306572 /nfs/dbraw/zinc/30/65/72/565306572.db2.gz RWNXQAPZNYUQLJ-UHFFFAOYSA-N 1 0 389.394 3.388 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)NCCCCn1cc(Br)cn1 ZINC000661099140 565307103 /nfs/dbraw/zinc/30/71/03/565307103.db2.gz HJAXLYTVIOEUFK-CQSZACIVSA-N 1 0 386.338 2.598 20 0 GFADRO COc1ncc(C(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)cc1Br ZINC000618654292 565309656 /nfs/dbraw/zinc/30/96/56/565309656.db2.gz BJZODKGLIVSIGB-ZDUSSCGKSA-N 1 0 382.302 2.990 20 0 GFADRO COC[C@@H]([NH2+]C[C@H](O)COc1ccc(Cl)c(Cl)c1)C1CCOCC1 ZINC000661159494 565311444 /nfs/dbraw/zinc/31/14/44/565311444.db2.gz GHJRNTQKUFKOHN-SUMWQHHRSA-N 1 0 378.296 2.764 20 0 GFADRO C[C@H](NC(=O)NC[C@H]1CCC[N@H+](CC2CC2)C1)c1ncc(Br)cn1 ZINC000661234785 565314803 /nfs/dbraw/zinc/31/48/03/565314803.db2.gz IBQGORMCYHLAMX-GXTWGEPZSA-N 1 0 396.333 2.721 20 0 GFADRO COCC[C@H]([NH3+])Cc1cn([C@H](C)C(=O)Nc2ccc(Cl)cc2Cl)nn1 ZINC000640782069 565327007 /nfs/dbraw/zinc/32/70/07/565327007.db2.gz KPRKSUMVTOGJME-PWSUYJOCSA-N 1 0 386.283 2.691 20 0 GFADRO Cc1cc(NC(=O)[C@H](C)n2cc(CC[NH+](C)C)nn2)ccc1Br ZINC000640907864 565335962 /nfs/dbraw/zinc/33/59/62/565335962.db2.gz XBSOINMRDYHTKX-LBPRGKRZSA-N 1 0 380.290 2.653 20 0 GFADRO CCCCNC(=O)[C@@H](C)n1cc([C@H]([NH3+])c2ccc(Br)cc2)nn1 ZINC000640903937 565336042 /nfs/dbraw/zinc/33/60/42/565336042.db2.gz IXDNGHGTUYMULN-IAQYHMDHSA-N 1 0 380.290 2.566 20 0 GFADRO [NH3+][C@H](c1cn(Cc2cc(Br)cc3cccnc32)nn1)[C@H]1CCCO1 ZINC000640949307 565338813 /nfs/dbraw/zinc/33/88/13/565338813.db2.gz JIOBOUUVGDPRBI-HZPDHXFCSA-N 1 0 388.269 2.816 20 0 GFADRO [NH3+][C@@H](c1cn(Cc2noc(C3CCC3)n2)nn1)c1ccc(Br)cc1 ZINC000640950952 565338947 /nfs/dbraw/zinc/33/89/47/565338947.db2.gz WSVIXXYVFNADGK-OAHLLOKOSA-N 1 0 389.257 2.788 20 0 GFADRO [NH3+]C1CCN(CCc2cn(Cc3cccc(Br)c3Cl)nn2)CC1 ZINC000641118781 565347449 /nfs/dbraw/zinc/34/74/49/565347449.db2.gz VHMXYJNYUSRMRU-UHFFFAOYSA-N 1 0 398.736 2.708 20 0 GFADRO CC(C)N1CCC[C@H](n2cc([C@@H]([NH3+])c3ccc(Br)cc3)nn2)C1=O ZINC000641118136 565347575 /nfs/dbraw/zinc/34/75/75/565347575.db2.gz UQUBZBCSOARVNZ-HOTGVXAUSA-N 1 0 392.301 2.661 20 0 GFADRO O=C1CCCN1C[C@@H]1CC[N@@H+](C[C@H](O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000662060425 565349153 /nfs/dbraw/zinc/34/91/53/565349153.db2.gz KYYGWTFVPBPZPI-KGLIPLIRSA-N 1 0 387.307 2.677 20 0 GFADRO C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+]1C[C@H](C)[C@@](C)(CO)C1 ZINC000662138540 565350957 /nfs/dbraw/zinc/35/09/57/565350957.db2.gz WVVQAIFSTGCQOM-PMUMKWKESA-N 1 0 383.330 2.746 20 0 GFADRO O[C@H]1CC[N@@H+](C2CCN(Cc3cc(Br)cc(F)c3F)CC2)C1 ZINC000662149666 565351855 /nfs/dbraw/zinc/35/18/55/565351855.db2.gz PPSISJGYQCKATJ-AWEZNQCLSA-N 1 0 375.257 2.758 20 0 GFADRO CC[C@H]([NH3+])c1cn(C[C@@H](O)COc2ccc(Cl)cc2Br)nn1 ZINC000641213918 565354273 /nfs/dbraw/zinc/35/42/73/565354273.db2.gz OUFARRQCYLNPLH-PWSUYJOCSA-N 1 0 389.681 2.544 20 0 GFADRO CC(C)[N@H+](CCN1C(=O)NC(C)(C)C1=O)Cc1cccc(Br)c1 ZINC000619735226 565357341 /nfs/dbraw/zinc/35/73/41/565357341.db2.gz XWELYJRWQZWNDH-UHFFFAOYSA-N 1 0 382.302 2.990 20 0 GFADRO CC[C@@H]([NH2+]CC[C@@]1(O)CCOC1)c1ccc(I)cc1 ZINC000593716418 565358665 /nfs/dbraw/zinc/35/86/65/565358665.db2.gz BSVWJDOIWZTEEK-HUUCEWRRSA-N 1 0 375.250 2.873 20 0 GFADRO NC(=O)[C@@H](c1ccc(Br)cc1F)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662291786 565358934 /nfs/dbraw/zinc/35/89/34/565358934.db2.gz KHOOAPJEPJYDFT-SUMWQHHRSA-N 1 0 398.320 2.826 20 0 GFADRO CN(CC(=O)Nc1ccc(Br)cc1Cl)[C@H](C[NH3+])C(F)(F)F ZINC000662329239 565360864 /nfs/dbraw/zinc/36/08/64/565360864.db2.gz IMIXNVUJYMXXCB-SNVBAGLBSA-N 1 0 388.615 2.862 20 0 GFADRO CCN(Cc1cccc(Br)c1)C(=O)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC000662379257 565363941 /nfs/dbraw/zinc/36/39/41/565363941.db2.gz UCCTVCPJDYZHJG-CYBMUJFWSA-N 1 0 377.286 2.911 20 0 GFADRO O=C(NC[C@H](O)COc1cccc(Cl)c1Cl)c1cccc2c1C[NH2+]C2 ZINC000662409569 565366449 /nfs/dbraw/zinc/36/64/49/565366449.db2.gz BOZPZPSJEQCING-LBPRGKRZSA-N 1 0 381.259 2.766 20 0 GFADRO CC(C)(Oc1ccc(Br)cc1)C(=O)N1CCC(OCCC[NH3+])CC1 ZINC000662429569 565367223 /nfs/dbraw/zinc/36/72/23/565367223.db2.gz VKVQKMBQSAXHLB-UHFFFAOYSA-N 1 0 399.329 2.963 20 0 GFADRO CC[NH2+]CC1CCN(C(=O)[C@@H]2CCO[C@H]2c2cncc(Br)c2)CC1 ZINC000662430633 565367875 /nfs/dbraw/zinc/36/78/75/565367875.db2.gz TVOKEDBBTQUERT-SJORKVTESA-N 1 0 396.329 2.770 20 0 GFADRO O=C(N[C@@H]1CCN(c2ccc(Cl)cc2)C1=O)c1cc2c(s1)CC[NH2+]C2 ZINC000662470544 565369729 /nfs/dbraw/zinc/36/97/29/565369729.db2.gz UOSKCLNOSKOPRL-CQSZACIVSA-N 1 0 375.881 2.583 20 0 GFADRO O=C(NCC1(c2ccccc2Br)CC1)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC000662470940 565370303 /nfs/dbraw/zinc/37/03/03/565370303.db2.gz DOSPAHPDLOEZRN-LBPRGKRZSA-N 1 0 389.297 2.711 20 0 GFADRO COc1cc(NC(=O)c2cn([C@H]3CCC[NH2+]CC3)nn2)ccc1Br ZINC000662491110 565371164 /nfs/dbraw/zinc/37/11/64/565371164.db2.gz ZPBMQGRSASUUCK-LBPRGKRZSA-N 1 0 394.273 2.616 20 0 GFADRO O=C(N[C@H]1CCc2[nH]cnc2C1)N1CCOc2c(Br)cccc2C1 ZINC000641425741 565371918 /nfs/dbraw/zinc/37/19/18/565371918.db2.gz HMWYVQJVVHBVMG-LBPRGKRZSA-N 1 0 391.269 2.634 20 0 GFADRO COc1cc(CS(=O)(=O)N[C@H](C)[C@H](c2ccccc2C)[NH+](C)C)sn1 ZINC000641451486 565373958 /nfs/dbraw/zinc/37/39/58/565373958.db2.gz KGVZJSWDAGVCTO-CXAGYDPISA-N 1 0 383.539 2.571 20 0 GFADRO COc1cc(Br)ccc1[C@H](C)NC(=O)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC000662534411 565375135 /nfs/dbraw/zinc/37/51/35/565375135.db2.gz AREQBTKIUCMQIL-WDEREUQCSA-N 1 0 393.285 2.749 20 0 GFADRO CSC1(CNC(=O)N[C@H](C[C@@H]2CCCO2)C(F)(F)F)CC[NH+](C)CC1 ZINC000594177191 565378291 /nfs/dbraw/zinc/37/82/91/565378291.db2.gz YYGQEIHTPURAMH-QWHCGFSZSA-N 1 0 383.480 2.613 20 0 GFADRO [NH3+]C[C@H]1OCC[C@@H]1C(=O)NCC1(c2ccc(Br)cc2)CCCC1 ZINC000662621139 565379838 /nfs/dbraw/zinc/37/98/38/565379838.db2.gz DXZFKAGWQXQCQN-JKSUJKDBSA-N 1 0 381.314 2.741 20 0 GFADRO COc1ccc(Br)cc1C(=O)CCC(=O)NCC1([NH3+])CCCC1 ZINC000662648223 565380815 /nfs/dbraw/zinc/38/08/15/565380815.db2.gz HIINFJPWZGZHAN-UHFFFAOYSA-N 1 0 383.286 2.808 20 0 GFADRO O=C([C@@H]1CCc2cc(Br)ccc21)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000620474140 565384762 /nfs/dbraw/zinc/38/47/62/565384762.db2.gz DTDHQYATPBAXTQ-FUHWJXTLSA-N 1 0 393.325 2.537 20 0 GFADRO COC[C@]1(CNC(=O)c2cc3c(ccc(Br)c3C)[nH]2)CCC[NH2+]1 ZINC000662782323 565384807 /nfs/dbraw/zinc/38/48/07/565384807.db2.gz YQYLDUUDCUHYRY-QGZVFWFLSA-N 1 0 380.286 2.737 20 0 GFADRO C[NH+]1CCC2(CCN(S(=O)(=O)Cc3ccc(Br)cc3)C2)CC1 ZINC000641586914 565385073 /nfs/dbraw/zinc/38/50/73/565385073.db2.gz MEQAXEQXNRRIOA-UHFFFAOYSA-N 1 0 387.343 2.697 20 0 GFADRO O=C(CCc1cc(F)ccc1Br)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000620480525 565385076 /nfs/dbraw/zinc/38/50/76/565385076.db2.gz FOOBWMWBKISNIA-INIZCTEOSA-N 1 0 399.304 2.578 20 0 GFADRO CC(C)(C)n1cc(Br)c(C(=O)N2C[C@H]([NH3+])Cc3ccccc32)n1 ZINC000662815413 565385710 /nfs/dbraw/zinc/38/57/10/565385710.db2.gz DNSYFSMGNMDNKU-GFCCVEGCSA-N 1 0 377.286 2.931 20 0 GFADRO C[C@H](Oc1cccc(Cl)c1Cl)C(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000620487441 565386179 /nfs/dbraw/zinc/38/61/79/565386179.db2.gz YSFYJQZTNMEJQY-GXTWGEPZSA-N 1 0 387.307 2.818 20 0 GFADRO CN(C)c1ncc(Br)cc1C(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662845216 565387046 /nfs/dbraw/zinc/38/70/46/565387046.db2.gz FRHFZVSQMUINLS-CQSZACIVSA-N 1 0 395.345 2.762 20 0 GFADRO Cc1c(C[NH3+])c(NC(=O)CSc2ccc(Br)cc2C)nn1C ZINC000662839195 565387200 /nfs/dbraw/zinc/38/72/00/565387200.db2.gz PLVDFCNEUSKMQU-UHFFFAOYSA-N 1 0 383.315 2.989 20 0 GFADRO [NH3+]CCC1CCN(C(=O)[C@@H]2CCO[C@H]2c2cncc(Br)c2)CC1 ZINC000662830988 565387600 /nfs/dbraw/zinc/38/76/00/565387600.db2.gz OJEVXOAVABXVFG-CVEARBPZSA-N 1 0 382.302 2.509 20 0 GFADRO O=C([C@H]1C[NH2+]CCC1(F)F)N1CCN(c2ccc(Cl)cc2Cl)CC1 ZINC000662857017 565388544 /nfs/dbraw/zinc/38/85/44/565388544.db2.gz BJGOBTIHRAZWKL-GFCCVEGCSA-N 1 0 378.250 2.887 20 0 GFADRO [NH3+]CC12CC(C1)CN2C(=O)Cc1csc(COc2ccc(Cl)cc2)n1 ZINC000662877652 565388778 /nfs/dbraw/zinc/38/87/78/565388778.db2.gz ZFLVLFIDEUYAMX-UHFFFAOYSA-N 1 0 377.897 2.868 20 0 GFADRO C[C@@H](CC(=O)NC[C@H]1CC[N@@H+]1Cc1ccccc1)n1cc(Br)cn1 ZINC000620781775 565396385 /nfs/dbraw/zinc/39/63/85/565396385.db2.gz MKEYJOZBLPAVSC-WMLDXEAASA-N 1 0 391.313 2.987 20 0 GFADRO CC(C)([NH3+])CCNC(=O)Nc1cc(Br)cc(C(=O)N2CCCC2)c1 ZINC000641817160 565399540 /nfs/dbraw/zinc/39/95/40/565399540.db2.gz OYAIQRGRNRTHQW-UHFFFAOYSA-N 1 0 397.317 2.934 20 0 GFADRO CC(C)([NH3+])CCNC(=O)C(=O)Nc1ccc(Br)c(C(F)(F)F)c1 ZINC000641821258 565399873 /nfs/dbraw/zinc/39/98/73/565399873.db2.gz JJSMHQUGMPGLPQ-UHFFFAOYSA-N 1 0 396.207 2.650 20 0 GFADRO C[NH+](C)C[C@@H]1COC2(CCCC2)CN1C(=O)c1ccncc1Br ZINC000620910488 565400390 /nfs/dbraw/zinc/40/03/90/565400390.db2.gz RHSFHAPXKYIAHM-CYBMUJFWSA-N 1 0 382.302 2.560 20 0 GFADRO C[NH+](C)C[C@H]1COC2(CCCC2)CN1C(=O)c1ncccc1Br ZINC000620913156 565400655 /nfs/dbraw/zinc/40/06/55/565400655.db2.gz WZYBZNDIERZIHI-ZDUSSCGKSA-N 1 0 382.302 2.560 20 0 GFADRO COc1ccc(Br)c(C(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)c1 ZINC000620963819 565402299 /nfs/dbraw/zinc/40/22/99/565402299.db2.gz NPLOCVZOSOEMSQ-AWEZNQCLSA-N 1 0 385.302 2.641 20 0 GFADRO CO[C@H](C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1)c1ccccc1Br ZINC000620979412 565403491 /nfs/dbraw/zinc/40/34/91/565403491.db2.gz FYRJLKHUEKAASE-YOEHRIQHSA-N 1 0 399.329 2.706 20 0 GFADRO CN(C)c1cc(Br)cc(C(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)c1 ZINC000620978258 565403572 /nfs/dbraw/zinc/40/35/72/565403572.db2.gz HLUJAKRFVMJTKI-KRWDZBQOSA-N 1 0 398.345 2.698 20 0 GFADRO C[NH+](C)CCC[C@H]1CN(C(=O)c2cn3cc(Cl)cc(Cl)c3n2)CCO1 ZINC000620975969 565403585 /nfs/dbraw/zinc/40/35/85/565403585.db2.gz FANRFTQTXAEBEP-ZDUSSCGKSA-N 1 0 385.295 2.824 20 0 GFADRO FC(F)(F)c1cccc(I)c1OC[C@@H]1C[NH2+]CCO1 ZINC000594696525 565408623 /nfs/dbraw/zinc/40/86/23/565408623.db2.gz PLGUJUZDJBISQO-QMMMGPOBSA-N 1 0 387.139 2.677 20 0 GFADRO CN([C@H](C[NH3+])C(F)(F)F)S(=O)(=O)c1cc(Cl)ccc1Br ZINC000663309339 565410945 /nfs/dbraw/zinc/41/09/45/565410945.db2.gz BVECKRGMTLLMST-SECBINFHSA-N 1 0 395.628 2.613 20 0 GFADRO COc1ccc(S(=O)(=O)N(C)[C@H](C[NH3+])C(F)(F)F)c(Cl)c1Cl ZINC000663311337 565411442 /nfs/dbraw/zinc/41/14/42/565411442.db2.gz MNSHVAMBRDWYMB-MRVPVSSYSA-N 1 0 381.203 2.512 20 0 GFADRO C[N@H+](CCCN1C(=O)NC(C)(C)C1=O)Cc1cc(Br)ccc1F ZINC000621276287 565414553 /nfs/dbraw/zinc/41/45/53/565414553.db2.gz YRSYVMGYVHWVEQ-UHFFFAOYSA-N 1 0 386.265 2.741 20 0 GFADRO CNS(=O)(=O)CC[NH2+][C@@H]1CCN(C(C)(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000621291044 565415639 /nfs/dbraw/zinc/41/56/39/565415639.db2.gz DMVSBLUMKDCKSI-CVEARBPZSA-N 1 0 391.940 2.532 20 0 GFADRO CS[C@@H]1CN(S(=O)(=O)Cc2cc(F)ccc2Cl)C[C@H]1[NH+]1CCCC1 ZINC000594767138 565418116 /nfs/dbraw/zinc/41/81/16/565418116.db2.gz LYRMCSGWWCGUPD-HZPDHXFCSA-N 1 0 392.949 2.821 20 0 GFADRO CNS(=O)(=O)CC[NH2+][C@@H]1CCCSc2ccc(Br)cc21 ZINC000663443716 565421502 /nfs/dbraw/zinc/42/15/02/565421502.db2.gz FZCGLEAAIZYXLR-GFCCVEGCSA-N 1 0 379.345 2.515 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(OC(F)(F)F)cc2Cl)C1 ZINC000663605201 565428027 /nfs/dbraw/zinc/42/80/27/565428027.db2.gz QEACDVHEGXUATN-RKDXNWHRSA-N 1 0 379.766 2.563 20 0 GFADRO CC(C)[NH2+][C@@H]1CCCN(C(=O)N[C@H]2C[C@H](C)S(=O)(=O)c3sccc32)C1 ZINC000643289135 565428984 /nfs/dbraw/zinc/42/89/84/565428984.db2.gz TWUHSRMJHAADHF-GUTXKFCHSA-N 1 0 385.555 2.527 20 0 GFADRO C[C@@H]1CN(c2nc(C3CC3)ncc2Br)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000663754614 565433776 /nfs/dbraw/zinc/43/37/76/565433776.db2.gz FDGFVRMPFYDKIV-CZUORRHYSA-N 1 0 394.361 2.579 20 0 GFADRO CC1([NH3+])CCN(C(=O)C(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)CC1 ZINC000643487310 565434269 /nfs/dbraw/zinc/43/42/69/565434269.db2.gz FONKHILVUDROFA-OAHLLOKOSA-N 1 0 384.307 2.997 20 0 GFADRO Cc1cc(NC(=O)CNC(=O)CC[C@H]2CCC[NH2+]C2)ccc1Br ZINC000621631483 565434217 /nfs/dbraw/zinc/43/42/17/565434217.db2.gz BLWCKMPVUKCIBM-CYBMUJFWSA-N 1 0 382.302 2.592 20 0 GFADRO C[NH+](C)[C@H]1CN(C(=O)N[C@@H](c2ccc(Br)cc2)C2CCC2)C[C@@H]1O ZINC000663760875 565435055 /nfs/dbraw/zinc/43/50/55/565435055.db2.gz LHFULXPRAGHBJS-YESZJQIVSA-N 1 0 396.329 2.607 20 0 GFADRO C[C@H](Cn1cncn1)[NH2+]Cc1cc(Cl)ccc1I ZINC000594917717 565435568 /nfs/dbraw/zinc/43/55/68/565435568.db2.gz MNDRHMWYRXJLEX-SECBINFHSA-N 1 0 376.629 2.714 20 0 GFADRO C[C@@H]1CC2(CN1C(=O)c1cc3c(cc1Br)OCO3)CC[NH2+]CC2 ZINC000621666372 565435833 /nfs/dbraw/zinc/43/58/33/565435833.db2.gz NWUCSXYWABBPMD-LLVKDONJSA-N 1 0 381.270 2.782 20 0 GFADRO [NH3+][C@]12CCC[C@H]1CN(C(=O)[C@H]1CCN(c3ccc(Cl)c(Cl)c3)C1=O)C2 ZINC000621682862 565436881 /nfs/dbraw/zinc/43/68/81/565436881.db2.gz MLCVDDQPIFUDPV-SRBZOADZSA-N 1 0 382.291 2.686 20 0 GFADRO Cc1cc(C(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)nn1-c1ccc(Br)cc1 ZINC000621688331 565437040 /nfs/dbraw/zinc/43/70/40/565437040.db2.gz TWBPSYLOOHTZFF-SCLBCKFNSA-N 1 0 389.297 2.897 20 0 GFADRO [NH3+][C@@]12CCC[C@H]1CN(C(=O)c1ccn(-c3cccc(Br)c3)n1)C2 ZINC000621690652 565437363 /nfs/dbraw/zinc/43/73/63/565437363.db2.gz WJCJJQFRJKJNTN-YVEFUNNKSA-N 1 0 375.270 2.588 20 0 GFADRO COc1ccc(Br)cc1CNC(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000594979328 565440071 /nfs/dbraw/zinc/44/00/71/565440071.db2.gz ACBABDQEXDFVJL-HNNXBMFYSA-N 1 0 382.302 2.741 20 0 GFADRO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)NCc1sccc1Br ZINC000663867305 565440797 /nfs/dbraw/zinc/44/07/97/565440797.db2.gz OZQVPHGXZANQTO-LBPRGKRZSA-N 1 0 391.379 2.582 20 0 GFADRO COC(=O)CC(C)(C)C[C@@H](C)[NH2+]CCNS(=O)(=O)c1cccc(Cl)c1 ZINC000595014175 565442357 /nfs/dbraw/zinc/44/23/57/565442357.db2.gz LSYXZUGJJSBGNS-CYBMUJFWSA-N 1 0 390.933 2.576 20 0 GFADRO CCC(=O)N1CC[C@@H]([NH2+][C@H]2CCc3ccc(I)cc32)C1 ZINC000595011696 565442418 /nfs/dbraw/zinc/44/24/18/565442418.db2.gz CVECBRGCGSFOIL-HIFRSBDPSA-N 1 0 384.261 2.879 20 0 GFADRO CCC(=O)N1CC[C@@H]([NH2+][C@@H]2CCc3ccc(I)cc32)C1 ZINC000595011703 565442482 /nfs/dbraw/zinc/44/24/82/565442482.db2.gz CVECBRGCGSFOIL-UKRRQHHQSA-N 1 0 384.261 2.879 20 0 GFADRO [NH3+]C[C@@H]1CC[C@H](NC(=O)NCC(F)(F)c2ccc(Br)cc2)C1 ZINC000621848614 565444725 /nfs/dbraw/zinc/44/47/25/565444725.db2.gz COILVDYSLNSIHB-MFKMUULPSA-N 1 0 376.245 2.968 20 0 GFADRO O=C(CNc1nc(C2CC2)ncc1Br)NCC[NH+]1CCCCCC1 ZINC000663935692 565444772 /nfs/dbraw/zinc/44/47/72/565444772.db2.gz IDMZNWSEYZRRDN-UHFFFAOYSA-N 1 0 396.333 2.521 20 0 GFADRO COC(=O)CC(C)(C)C[C@@H](C)[NH2+]CCNS(=O)(=O)c1ccc(Cl)s1 ZINC000595036977 565445149 /nfs/dbraw/zinc/44/51/49/565445149.db2.gz YUSKGOFKKISHHW-LLVKDONJSA-N 1 0 396.962 2.637 20 0 GFADRO CCSC1(C[NH2+][C@@H](C)c2cccc(S(=O)(=O)N3CCOCC3)c2)CC1 ZINC000595098900 565447843 /nfs/dbraw/zinc/44/78/43/565447843.db2.gz JJPAZJAOONMOOK-HNNXBMFYSA-N 1 0 384.567 2.644 20 0 GFADRO COC[C@@H]([NH2+]CCc1ccc(I)cc1)C1CCOCC1 ZINC000595094190 565447905 /nfs/dbraw/zinc/44/79/05/565447905.db2.gz HYLGASYNODSWLI-MRXNPFEDSA-N 1 0 389.277 2.865 20 0 GFADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3cc4c(cc3Br)OCO4)CC[C@@H]21 ZINC000621919129 565448071 /nfs/dbraw/zinc/44/80/71/565448071.db2.gz YOBVMUDLQMHGBD-RISCZKNCSA-N 1 0 381.270 2.734 20 0 GFADRO COC(=O)c1c(Cl)cccc1S(=O)(=O)N1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000595119052 565450257 /nfs/dbraw/zinc/45/02/57/565450257.db2.gz ZOGYBVZIFCVAFR-TZMCWYRMSA-N 1 0 388.917 2.655 20 0 GFADRO Brc1cnnc(N2CCO[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000664065577 565451486 /nfs/dbraw/zinc/45/14/86/565451486.db2.gz KKCQESPLUFOYEX-IRXDYDNUSA-N 1 0 389.297 2.719 20 0 GFADRO O=C([C@@H]1C[NH2+]CCC1(F)F)N1CCc2c(F)cc(Br)cc2C1 ZINC000643978551 565454062 /nfs/dbraw/zinc/45/40/62/565454062.db2.gz CFXLPMOENJDMOR-LBPRGKRZSA-N 1 0 377.204 2.718 20 0 GFADRO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)c1ncc(Br)cc1Br ZINC000644065840 565456130 /nfs/dbraw/zinc/45/61/30/565456130.db2.gz KAWKCTUNAXPDEF-KCJUWKMLSA-N 1 0 391.107 2.854 20 0 GFADRO C[C@@H]1CCN(C(=O)CCC[S@@](=O)c2ccc(Br)cc2)C[C@@H]1[NH3+] ZINC000595228738 565457169 /nfs/dbraw/zinc/45/71/69/565457169.db2.gz JXABLCDOAPDTOQ-XTCJLCLGSA-N 1 0 387.343 2.533 20 0 GFADRO Cc1cc(C(=O)N2CC[NH2+]CC2(C)C)nn1-c1ccc(Br)cc1 ZINC000644075864 565457353 /nfs/dbraw/zinc/45/73/53/565457353.db2.gz PCLHZCRHXIMWBL-UHFFFAOYSA-N 1 0 377.286 2.767 20 0 GFADRO Cc1c(C(=O)N2CC[NH2+]CC2(C)C)cnn1-c1cccc(Br)c1 ZINC000644074327 565457940 /nfs/dbraw/zinc/45/79/40/565457940.db2.gz KEEGYCNCPHAPIH-UHFFFAOYSA-N 1 0 377.286 2.767 20 0 GFADRO CC[N@@H+]1CCC[C@@H](CN(C)c2cc(Br)cnn2)[C@H]1c1cnn(C)c1 ZINC000664295894 565458151 /nfs/dbraw/zinc/45/81/51/565458151.db2.gz IQGRLOYJVIUABX-GUYCJALGSA-N 1 0 393.333 2.882 20 0 GFADRO C[C@@H]1[NH2+]CC[C@@H]1C(=O)NCc1cc(Cl)ccc1I ZINC000595255575 565459107 /nfs/dbraw/zinc/45/91/07/565459107.db2.gz FPRRQNJCRCXQDH-KWQFWETISA-N 1 0 378.641 2.559 20 0 GFADRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1cc2c(cc1Br)OCO2 ZINC000622052486 565459598 /nfs/dbraw/zinc/45/95/98/565459598.db2.gz QJVKUZTVIDXYMK-BXUZGUMPSA-N 1 0 381.270 2.877 20 0 GFADRO COc1cc(Br)ccc1[C@H](C)NC(=O)[C@@H]1C[NH2+]CCC1(F)F ZINC000644151233 565461465 /nfs/dbraw/zinc/46/14/65/565461465.db2.gz FETIMYYOMFITHG-CABZTGNLSA-N 1 0 377.229 2.880 20 0 GFADRO C[NH+](C)CCn1cc(NC(=O)C2=Cc3cc(Br)ccc3OC2)cn1 ZINC000622418162 565471160 /nfs/dbraw/zinc/47/11/60/565471160.db2.gz FNIPGBAHCGZTFC-UHFFFAOYSA-N 1 0 391.269 2.622 20 0 GFADRO C[N@@H+]1C[C@H]2CCN(S(=O)(=O)c3cc(Cl)c(Br)cc3F)[C@@H]2C1 ZINC000644301124 565471416 /nfs/dbraw/zinc/47/14/16/565471416.db2.gz SAIJJKJTFDHINA-PRHODGIISA-N 1 0 397.697 2.566 20 0 GFADRO CCOc1cc(C[NH2+]C2COCCOC2)cc(Br)c1OC(F)F ZINC000644421928 565476189 /nfs/dbraw/zinc/47/61/89/565476189.db2.gz DYGDLIRNLHRDCY-UHFFFAOYSA-N 1 0 396.228 2.954 20 0 GFADRO CC[N@H+](CCNC(=O)N1CCO[C@@H](CC(F)(F)F)C1)CCC(F)(F)F ZINC000664747169 565477303 /nfs/dbraw/zinc/47/73/03/565477303.db2.gz MVRAHCGEYSCPBQ-NSHDSACASA-N 1 0 379.345 2.624 20 0 GFADRO CC(C)(C)N1C[C@H]([NH2+]C[C@H](O)COc2cc(Cl)ccc2Cl)CC1=O ZINC000644581917 565483045 /nfs/dbraw/zinc/48/30/45/565483045.db2.gz XPDZBQNWFWYFAW-OLZOCXBDSA-N 1 0 375.296 2.722 20 0 GFADRO Cn1ccc(C(=O)N(Cc2ccccc2Br)C2CC[NH+](C)CC2)n1 ZINC000644601111 565484044 /nfs/dbraw/zinc/48/40/44/565484044.db2.gz QQMFSVHYOPTPPR-UHFFFAOYSA-N 1 0 391.313 2.919 20 0 GFADRO COC(=O)[C@@H]1C[C@H](C(F)(F)F)C[N@H+](C[C@H](O)Cc2cccc(Cl)c2)C1 ZINC000595620552 565485984 /nfs/dbraw/zinc/48/59/84/565485984.db2.gz FMRNHECLWOKWQI-VNHYZAJKSA-N 1 0 379.806 2.917 20 0 GFADRO COC[C@H](C)OC[C@@H](O)C[NH2+][C@H]1CCc2c1ccc(F)c2Br ZINC000644661328 565487735 /nfs/dbraw/zinc/48/77/35/565487735.db2.gz UZSLIUOJQYEJCE-PGUXBMHVSA-N 1 0 376.266 2.578 20 0 GFADRO NC(=O)[C@H]1CC[C@H](C[NH2+]C[C@H](O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000644674387 565488834 /nfs/dbraw/zinc/48/88/34/565488834.db2.gz YDOHZNMQFFJGQQ-AVGNSLFASA-N 1 0 375.296 2.614 20 0 GFADRO O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1nc2cc(Cl)ccc2s1 ZINC000623069607 565493114 /nfs/dbraw/zinc/49/31/14/565493114.db2.gz KGHNYCVJFULAIF-LBPRGKRZSA-N 1 0 392.834 2.516 20 0 GFADRO C[C@H](Cn1cc(Br)ccc1=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000665252330 565494573 /nfs/dbraw/zinc/49/45/73/565494573.db2.gz MYQXGECSAQQKFT-ZTFGCOKTSA-N 1 0 390.325 2.735 20 0 GFADRO COC(=O)[C@@H](c1ccc(Cl)cc1Cl)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000595862820 565494647 /nfs/dbraw/zinc/49/46/47/565494647.db2.gz HEROHGLYDMNNSL-WMLDXEAASA-N 1 0 387.307 2.739 20 0 GFADRO C[N@@H+]1C[C@H]2CCN(C(=O)c3ccc(Br)cc3Br)[C@@H]2C1 ZINC000644813388 565497395 /nfs/dbraw/zinc/49/73/95/565497395.db2.gz GYSFCGRPZOGKNV-NOZJJQNGSA-N 1 0 388.103 2.988 20 0 GFADRO Cn1cc(CN2CCN(C(=O)NCc3cc(Cl)cc(Cl)c3)CC2)cn1 ZINC000665349441 565498397 /nfs/dbraw/zinc/49/83/97/565498397.db2.gz JVEFEYDTNUQJRM-UHFFFAOYSA-N 1 0 382.295 2.754 20 0 GFADRO O=C(C[C@H]1CC[NH2+]C1)NCc1cc(Cl)ccc1I ZINC000595936615 565500017 /nfs/dbraw/zinc/50/00/17/565500017.db2.gz CERZEZNMGOFHGG-SECBINFHSA-N 1 0 378.641 2.560 20 0 GFADRO O=C(NCc1cc(Cl)ccc1I)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000595937633 565500085 /nfs/dbraw/zinc/50/00/85/565500085.db2.gz ILHZLMJPPISYTQ-FZMZJTMJSA-N 1 0 390.652 2.560 20 0 GFADRO COc1cc2[nH+]ccc(N3CCCS(=O)(=O)CC3)c2cc1Br ZINC000644871400 565500559 /nfs/dbraw/zinc/50/05/59/565500559.db2.gz LKACZHYSHTVITK-UHFFFAOYSA-N 1 0 385.283 2.631 20 0 GFADRO CO[C@@]1(C(F)(F)F)CCCN(C(=O)C2CC[NH+]([C@H]3CCSC3)CC2)C1 ZINC000665444031 565500634 /nfs/dbraw/zinc/50/06/34/565500634.db2.gz HIFVWXZQMLVOAA-HOCLYGCPSA-N 1 0 380.476 2.774 20 0 GFADRO C[C@]1([NH3+])CCCC[C@@H]1C(=O)NCCc1ccc(I)cc1 ZINC000595946002 565500927 /nfs/dbraw/zinc/50/09/27/565500927.db2.gz HLSDGIFAYKOYIC-ZBFHGGJFSA-N 1 0 386.277 2.858 20 0 GFADRO O=C(Nc1ccc([C@H]2C[NH2+]CCO2)cc1)c1cc(I)c[nH]1 ZINC000595942870 565501131 /nfs/dbraw/zinc/50/11/31/565501131.db2.gz LDXAHQOSJGVXPE-CQSZACIVSA-N 1 0 397.216 2.533 20 0 GFADRO C[C@@]1(C(=O)NCc2cc(Cl)ccc2I)CCC[NH2+]C1 ZINC000595963422 565502225 /nfs/dbraw/zinc/50/22/25/565502225.db2.gz RTZKKQSEGCHMAI-CQSZACIVSA-N 1 0 392.668 2.951 20 0 GFADRO COC(=O)[C@H](NC(=O)c1cc2c(s1)CC[NH2+]C2)c1ccc(Cl)c(F)c1 ZINC000595954780 565502564 /nfs/dbraw/zinc/50/25/64/565502564.db2.gz BHIJDVZNAVIUQR-OAHLLOKOSA-N 1 0 382.844 2.830 20 0 GFADRO C[N@H+](CCNC(=O)NCc1c(F)c(F)c(Br)c(F)c1F)C1CC1 ZINC000644940866 565503117 /nfs/dbraw/zinc/50/31/17/565503117.db2.gz TYHDJXXKANHFPS-UHFFFAOYSA-N 1 0 398.198 2.899 20 0 GFADRO COC(=O)[C@H](NC(=O)C[C@@H](C[NH3+])CC(C)C)c1ccccc1Br ZINC000595969850 565503660 /nfs/dbraw/zinc/50/36/60/565503660.db2.gz HRZPAMJKKUWGQV-BLLLJJGKSA-N 1 0 385.302 2.791 20 0 GFADRO COC(=O)c1sc2c(c1Br)CN(C(=O)CC[NH2+]C(C)C)C2 ZINC000595991691 565504863 /nfs/dbraw/zinc/50/48/63/565504863.db2.gz GHLCUDYZHNRQCQ-UHFFFAOYSA-N 1 0 375.288 2.528 20 0 GFADRO COC(=O)c1sc2c(c1Br)CN(C(=O)[C@@H]1CCC[C@H]([NH3+])C1)C2 ZINC000595994747 565504882 /nfs/dbraw/zinc/50/48/82/565504882.db2.gz IXVAQRCJXAALRW-BDAKNGLRSA-N 1 0 387.299 2.657 20 0 GFADRO COC(=O)c1sc2c(c1Br)CN(C(=O)[C@@H]([NH3+])c1ccccc1)C2 ZINC000596006707 565505987 /nfs/dbraw/zinc/50/59/87/565505987.db2.gz YWMPCKWXFPWNAL-ZDUSSCGKSA-N 1 0 395.278 2.839 20 0 GFADRO COC(=O)c1sc2c(c1Br)CN(C(=O)[C@@H](C(C)C)[C@H](C)[NH3+])C2 ZINC000596003848 565506043 /nfs/dbraw/zinc/50/60/43/565506043.db2.gz SYWZJZBSIAGCOW-KWQFWETISA-N 1 0 389.315 2.759 20 0 GFADRO O[C@@H](C[NH2+]Cc1c[nH]nc1-c1ccc(Br)s1)COCC1CC1 ZINC000623387290 565507096 /nfs/dbraw/zinc/50/70/96/565507096.db2.gz URFTZVGZLZSXEA-LBPRGKRZSA-N 1 0 386.315 2.778 20 0 GFADRO COc1ncc(Br)cc1CNC(=O)NC[C@H](C)[N@@H+]1CCCC[C@H]1C ZINC000623422074 565509396 /nfs/dbraw/zinc/50/93/96/565509396.db2.gz IZEUVGMRWMMOCG-OLZOCXBDSA-N 1 0 399.333 2.915 20 0 GFADRO C[C@@H](CCNC(=O)Nc1cc(Br)ccc1N1CCOCC1)[NH+](C)C ZINC000665777424 565512500 /nfs/dbraw/zinc/51/25/00/565512500.db2.gz DQEJDVVMZOWCQW-ZDUSSCGKSA-N 1 0 399.333 2.747 20 0 GFADRO Cc1cc(C[NH2+][C@@H]2CCCN(C(=O)N3CCCC3)C2)ncc1Br ZINC000623521811 565517121 /nfs/dbraw/zinc/51/71/21/565517121.db2.gz ITLXNKHPESBSDS-CQSZACIVSA-N 1 0 381.318 2.922 20 0 GFADRO C[N@@H+]1CCC[C@H](NC(=O)N2CCO[C@@H](c3cccc(Br)c3)C2)C1 ZINC000623543119 565518248 /nfs/dbraw/zinc/51/82/48/565518248.db2.gz WUOBLGBUPRGBCO-JKSUJKDBSA-N 1 0 382.302 2.626 20 0 GFADRO Cc1nn(-c2cccc(Br)c2)cc1C[NH2+]C[C@@H](O)[C@H]1CCCO1 ZINC000623620082 565520371 /nfs/dbraw/zinc/52/03/71/565520371.db2.gz FJOKQGYRZFEKGN-IAGOWNOFSA-N 1 0 380.286 2.573 20 0 GFADRO Cc1ccc(Br)c(C)c1C(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000645325810 565521379 /nfs/dbraw/zinc/52/13/79/565521379.db2.gz IBNLQMOZJIUQMC-JKSUJKDBSA-N 1 0 381.314 2.737 20 0 GFADRO OC[C@]1([NH2+]Cc2cnc3n2CCC3)CCc2cc(Br)ccc2C1 ZINC000623645357 565522853 /nfs/dbraw/zinc/52/28/53/565522853.db2.gz YTFSCGRNWOGIJK-SFHVURJKSA-N 1 0 376.298 2.601 20 0 GFADRO Cc1cc(Br)c(C[NH2+][C@H]2CCN(c3ccc4nncn4n3)C2)s1 ZINC000623651080 565523360 /nfs/dbraw/zinc/52/33/60/565523360.db2.gz CLLFAQSOACVYFP-NSHDSACASA-N 1 0 393.314 2.625 20 0 GFADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@H]1CN(C)Cc2ccccc21 ZINC000666114692 565523443 /nfs/dbraw/zinc/52/34/43/565523443.db2.gz SWYNPXJSPGNJSD-DYVFJYSZSA-N 1 0 376.298 2.776 20 0 GFADRO Cc1ccc(Br)c(C)c1C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000645407563 565523655 /nfs/dbraw/zinc/52/36/55/565523655.db2.gz DWIUIEFBYDMHBH-OAHLLOKOSA-N 1 0 394.357 2.964 20 0 GFADRO COc1ncc(Br)cc1CNC(=O)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000623714731 565526888 /nfs/dbraw/zinc/52/68/88/565526888.db2.gz AQNSVNUYHGUVMW-CYBMUJFWSA-N 1 0 399.333 2.774 20 0 GFADRO COc1ncc(Br)cc1CNC(=O)NC[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000623747836 565527958 /nfs/dbraw/zinc/52/79/58/565527958.db2.gz RXALSHLJYFLYKP-ZDUSSCGKSA-N 1 0 399.333 2.630 20 0 GFADRO Cc1cccc(CNC(=O)N2CCOC3(CC[NH+](C)CC3)C2)c1Br ZINC000645462770 565528300 /nfs/dbraw/zinc/52/83/00/565528300.db2.gz HNARRIIMPJSOEK-UHFFFAOYSA-N 1 0 396.329 2.764 20 0 GFADRO Fc1ccc(Br)cc1C[NH2+]C[C@@H]1CN(Cc2ccncc2)CCO1 ZINC000623780201 565529540 /nfs/dbraw/zinc/52/95/40/565529540.db2.gz CVDXRCUCDIVERV-QGZVFWFLSA-N 1 0 394.288 2.974 20 0 GFADRO O=C(Nc1cc(F)ccc1Br)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000666324995 565531634 /nfs/dbraw/zinc/53/16/34/565531634.db2.gz QRGLOQDVTMYYNH-ZDUSSCGKSA-N 1 0 386.265 2.963 20 0 GFADRO COCC[N@H+](C)CCCNC(=O)c1cc(Br)cc(N2CCCC2)c1 ZINC000666342859 565532395 /nfs/dbraw/zinc/53/23/95/565532395.db2.gz RJZYXHMHVIWTNR-UHFFFAOYSA-N 1 0 398.345 2.747 20 0 GFADRO O=S(=O)(CCC[C@@H]1CCOC1)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000645503740 565532955 /nfs/dbraw/zinc/53/29/55/565532955.db2.gz MMRMKQHVRVHEGC-IAGOWNOFSA-N 1 0 386.583 2.696 20 0 GFADRO CC[C@@H](CNS(C)(=O)=O)[NH2+][C@H](C)Cc1ncc(C(F)(F)F)cc1Cl ZINC000623993023 565538746 /nfs/dbraw/zinc/53/87/46/565538746.db2.gz GOMBZNWSNBDAON-KOLCDFICSA-N 1 0 387.855 2.602 20 0 GFADRO C[C@H](CC[NH+](C)C)NS(=O)(=O)Cc1ccc(Br)cc1Cl ZINC000645567410 565539232 /nfs/dbraw/zinc/53/92/32/565539232.db2.gz JPGHZIVOGBRKJJ-SNVBAGLBSA-N 1 0 383.739 2.862 20 0 GFADRO COCCC[C@@H]([NH2+][C@@H](CO)c1ccnn1C)c1ccc(Br)cc1 ZINC000624019897 565539825 /nfs/dbraw/zinc/53/98/25/565539825.db2.gz DPRIWORKCVANFN-CVEARBPZSA-N 1 0 382.302 2.974 20 0 GFADRO CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]C[C@H]2CCCN2CC(F)F)cc1 ZINC000624095893 565542447 /nfs/dbraw/zinc/54/24/47/565542447.db2.gz OMHQQWJJYSDZTD-CZUORRHYSA-N 1 0 375.485 2.828 20 0 GFADRO CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]C[C@@H]2CCCN2CC(F)F)cc1 ZINC000624095891 565542810 /nfs/dbraw/zinc/54/28/10/565542810.db2.gz OMHQQWJJYSDZTD-BBRMVZONSA-N 1 0 375.485 2.828 20 0 GFADRO C[NH+](C)C[C@@H]1CCCN1S(=O)(=O)Cc1ccc(Br)cc1Cl ZINC000645605269 565543772 /nfs/dbraw/zinc/54/37/72/565543772.db2.gz WCNKVMLBNGQNJH-ZDUSSCGKSA-N 1 0 395.750 2.958 20 0 GFADRO CCOC(=O)C[C@H](NC(=O)NC[C@@H](c1cccs1)[NH+](C)C)C(F)(F)F ZINC000597007938 565544987 /nfs/dbraw/zinc/54/49/87/565544987.db2.gz BLFPXZOJVHCMBK-JQWIXIFHSA-N 1 0 381.420 2.534 20 0 GFADRO CC(C)c1cc(Br)ccc1NC(=O)C(=O)N1CC[C@@H]2C[N@H+](C)C[C@@H]21 ZINC000645621009 565545276 /nfs/dbraw/zinc/54/52/76/565545276.db2.gz IYZRYSWHKVJABG-WBMJQRKESA-N 1 0 394.313 2.674 20 0 GFADRO C[NH+](C)C[C@@H]1CCN(C(=O)Nc2ccc(I)cc2F)C1 ZINC000597024601 565548156 /nfs/dbraw/zinc/54/81/56/565548156.db2.gz MDGOJQKQQHHAIP-JTQLQIEISA-N 1 0 391.228 2.846 20 0 GFADRO C[C@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH2+][C@@H]1CCOC[C@H]1O ZINC000624237096 565548407 /nfs/dbraw/zinc/54/84/07/565548407.db2.gz PCTNXNIHKSFKNN-OWYVNGRQSA-N 1 0 380.794 2.815 20 0 GFADRO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1c1nccc(-c2ccc(Br)cc2)n1 ZINC000624285903 565549647 /nfs/dbraw/zinc/54/96/47/565549647.db2.gz BSEHQZPMEIHILX-ZIAGYGMSSA-N 1 0 391.313 2.797 20 0 GFADRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)NCc2ccc(Br)c(F)c2F)C1 ZINC000624306669 565551291 /nfs/dbraw/zinc/55/12/91/565551291.db2.gz LOALBOWOUQXTIB-JGZJWPJOSA-N 1 0 376.245 2.867 20 0 GFADRO COc1cc(NC(=O)N2C[C@@H]([NH+](C)C)[C@@H](SC)C2)ccc1OC(F)F ZINC000597114597 565551707 /nfs/dbraw/zinc/55/17/07/565551707.db2.gz ZSEPTIJPWAVAJF-RISCZKNCSA-N 1 0 375.441 2.806 20 0 GFADRO CCCN([C@H]1CC[NH2+]C1)S(=O)(=O)c1cc(F)c(Br)cc1C ZINC000624354435 565551977 /nfs/dbraw/zinc/55/19/77/565551977.db2.gz HMAFOVRKFPYKLH-NSHDSACASA-N 1 0 379.295 2.659 20 0 GFADRO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@H]1CCN(C2CCC2)C1=O ZINC000624342504 565552234 /nfs/dbraw/zinc/55/22/34/565552234.db2.gz FSKBQOCIUCRYIP-WBMJQRKESA-N 1 0 394.313 2.909 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000645694801 565552956 /nfs/dbraw/zinc/55/29/56/565552956.db2.gz LTAGMLILRZQZBI-GOSISDBHSA-N 1 0 394.313 2.559 20 0 GFADRO CCOc1ccc(S(=O)(=O)N2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1C ZINC000624391346 565554602 /nfs/dbraw/zinc/55/46/02/565554602.db2.gz VVHFTZYWTRQVKP-GXTWGEPZSA-N 1 0 380.432 2.542 20 0 GFADRO C[C@@H]1[NH2+]CC[C@H]1NS(=O)(=O)c1cc(Br)c(Cl)cc1Cl ZINC000624415267 565557093 /nfs/dbraw/zinc/55/70/93/565557093.db2.gz YIRNGUSACNXPEO-QUBYGPBYSA-N 1 0 388.114 2.785 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)NC[C@H](n1cccn1)C(F)(F)F)c1cccs1 ZINC000624487340 565559207 /nfs/dbraw/zinc/55/92/07/565559207.db2.gz HDYWXALBXACYBL-YPMHNXCESA-N 1 0 375.420 2.650 20 0 GFADRO Cc1ccc(NC(=O)C(=O)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)c(Br)c1 ZINC000645820398 565565047 /nfs/dbraw/zinc/56/50/47/565565047.db2.gz UUOIQQYLDZYOBK-SFHVURJKSA-N 1 0 394.313 2.640 20 0 GFADRO C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1csc(I)c1)C2 ZINC000597717008 565571650 /nfs/dbraw/zinc/57/16/50/565571650.db2.gz VSSCFJKUAIKGKV-AWEZNQCLSA-N 1 0 390.290 2.911 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)N(CC[NH+](C)C)Cc2ccc(Br)cc2)CO1 ZINC000645890945 565571686 /nfs/dbraw/zinc/57/16/86/565571686.db2.gz GTYJSZIMYHENDS-CJNGLKHVSA-N 1 0 384.318 2.700 20 0 GFADRO C[C@@H]1C[C@H](c2ccc(Br)cc2)CN1C(=O)NC[C@@H]1COCCN1C ZINC000624733617 565573263 /nfs/dbraw/zinc/57/32/63/565573263.db2.gz TTYUHBMRGMNIKP-UKPHBRMFSA-N 1 0 396.329 2.667 20 0 GFADRO COC[C@H](OC)C(=O)N(CCC[NH+](C)C)Cc1ccc(Cl)c(Cl)c1 ZINC000667155810 565573275 /nfs/dbraw/zinc/57/32/75/565573275.db2.gz UNQJPXHDQURYEU-INIZCTEOSA-N 1 0 377.312 2.935 20 0 GFADRO Cc1c(Br)ccnc1NC(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000667168113 565574714 /nfs/dbraw/zinc/57/47/14/565574714.db2.gz WOBSHKUKUPWTNT-CYBMUJFWSA-N 1 0 383.290 2.527 20 0 GFADRO CC(C)Oc1cc(Br)cc(NC(=O)N2CCO[C@@H]([C@@H](C)[NH3+])C2)c1 ZINC000667173192 565574981 /nfs/dbraw/zinc/57/49/81/565574981.db2.gz ZFRNMVGFGAIPQP-IAQYHMDHSA-N 1 0 386.290 2.816 20 0 GFADRO CSc1cc(Cl)ccc1NC(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000667381777 565584606 /nfs/dbraw/zinc/58/46/06/565584606.db2.gz BYCDPLFUOJLWRX-GFCCVEGCSA-N 1 0 384.933 2.771 20 0 GFADRO CC(C)c1n[nH]c(C(=O)N2CCC[C@@H]([NH+]3CCOCC3)CC2)c1Br ZINC000646081224 565586043 /nfs/dbraw/zinc/58/60/43/565586043.db2.gz ADNFGRVILXDQFX-CYBMUJFWSA-N 1 0 399.333 2.623 20 0 GFADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)c1cnc2n1CCC2 ZINC000667427586 565586926 /nfs/dbraw/zinc/58/69/26/565586926.db2.gz KICQFZKKKOPXOI-UHFFFAOYSA-N 1 0 391.313 2.796 20 0 GFADRO CSCC[C@@H](NC(=O)c1ccccc1Cl)C(=O)NCC[C@H](C)[NH+](C)C ZINC000597997571 565586917 /nfs/dbraw/zinc/58/69/17/565586917.db2.gz NIPFKBSPICRBHM-XJKSGUPXSA-N 1 0 385.961 2.648 20 0 GFADRO Cc1c(F)c(Br)ccc1NC(=O)NC[C@@H]1CCC[N@@H+]1CCCO ZINC000667504596 565591342 /nfs/dbraw/zinc/59/13/42/565591342.db2.gz YLEDYVDCSHGVNQ-LBPRGKRZSA-N 1 0 388.281 2.865 20 0 GFADRO O=C(Nc1cnn(-c2ccccc2Br)c1)[C@H]1CC12CC[NH2+]CC2 ZINC000646270935 565593057 /nfs/dbraw/zinc/59/30/57/565593057.db2.gz YWOFHGJTBYUKIE-CYBMUJFWSA-N 1 0 375.270 2.963 20 0 GFADRO O=C(Nc1cc(Cl)cc(C(F)(F)F)c1)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000667537274 565593741 /nfs/dbraw/zinc/59/37/41/565593741.db2.gz VNICBHLEZLRJGZ-NOZJJQNGSA-N 1 0 375.778 2.508 20 0 GFADRO CC[C@@H]1CN(C(=O)C(=O)Nc2cc(Br)c(C)cc2C)CC[C@H]1[NH3+] ZINC000667546119 565593746 /nfs/dbraw/zinc/59/37/46/565593746.db2.gz DJDGZRYHVOIDRL-TZMCWYRMSA-N 1 0 382.302 2.590 20 0 GFADRO CC[C@H]1CN(C(=O)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC[C@H]1[NH3+] ZINC000667548510 565594197 /nfs/dbraw/zinc/59/41/97/565594197.db2.gz ORHHTCHDNUQORQ-TVQRCGJNSA-N 1 0 377.794 2.883 20 0 GFADRO CC[C@@H]1CN(C(=O)C(=O)Nc2cccc(Br)c2Cl)CC[C@H]1[NH3+] ZINC000667548304 565594722 /nfs/dbraw/zinc/59/47/22/565594722.db2.gz LFKVWJLGMCGIQY-MWLCHTKSSA-N 1 0 388.693 2.627 20 0 GFADRO CC[C@@H](C(=O)N[C@H](C(=O)OC)c1ccccc1Br)[NH+](CC)CC ZINC000598181589 565597607 /nfs/dbraw/zinc/59/76/07/565597607.db2.gz ALQUZQNBRXUQSG-GJZGRUSLSA-N 1 0 385.302 2.900 20 0 GFADRO Cn1nc2cc(Br)ccc2c1C(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000646372749 565601210 /nfs/dbraw/zinc/60/12/10/565601210.db2.gz IHEXRXWDWIUXSS-UHFFFAOYSA-N 1 0 377.286 2.552 20 0 GFADRO C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)c1cn(-c2ccc(Br)cc2)cn1 ZINC000646472114 565603371 /nfs/dbraw/zinc/60/33/71/565603371.db2.gz BDYBJVXQBRAUCS-BLLLJJGKSA-N 1 0 377.286 2.799 20 0 GFADRO CN1CC[NH+](CC2CN(C(=O)c3ccc(C(F)(F)F)cc3Cl)C2)CC1 ZINC000646458826 565603780 /nfs/dbraw/zinc/60/37/80/565603780.db2.gz GTRYMGOZLIEYKE-UHFFFAOYSA-N 1 0 375.822 2.678 20 0 GFADRO O=C(NCCc1cc(Br)ccc1F)Nc1cnc2c(c1)C[NH2+]CC2 ZINC000667793556 565606060 /nfs/dbraw/zinc/60/60/60/565606060.db2.gz FGYDQIVHKKRQNS-UHFFFAOYSA-N 1 0 393.260 2.993 20 0 GFADRO CCC[N@@H+]1CC[C@@H](NC(=O)c2cc(F)ccc2I)C1 ZINC000598342012 565609883 /nfs/dbraw/zinc/60/98/83/565609883.db2.gz JUPBJNSDOZEPJL-LLVKDONJSA-N 1 0 376.213 2.644 20 0 GFADRO CC(C)Oc1cncc(S(=O)(=O)N(CC[NH+](C)C)Cc2ccsc2)c1 ZINC000625241774 565610077 /nfs/dbraw/zinc/61/00/77/565610077.db2.gz AIFCHQFPNLFXFP-UHFFFAOYSA-N 1 0 383.539 2.683 20 0 GFADRO CCC[N@@H+]1CC[C@H](NC(=O)c2ccc(F)c(I)c2)C1 ZINC000598343434 565610486 /nfs/dbraw/zinc/61/04/86/565610486.db2.gz VCAWNZIZUIGWMM-NSHDSACASA-N 1 0 376.213 2.644 20 0 GFADRO CCCN(C(=O)C(=O)Nc1cc(C)cc(Br)c1)[C@@H]1CC[N@H+](C)C1 ZINC000646764155 565617991 /nfs/dbraw/zinc/61/79/91/565617991.db2.gz OFFDJQYNWYQRTD-OAHLLOKOSA-N 1 0 382.302 2.639 20 0 GFADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)c1ccc(OC(F)(F)F)c(Cl)c1 ZINC000625331359 565619823 /nfs/dbraw/zinc/61/98/23/565619823.db2.gz FPHZPNHYUWLBEO-LLVKDONJSA-N 1 0 379.810 2.604 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CN(C(=O)CCCSc2ccc(Br)cc2)CCO1 ZINC000646845232 565623387 /nfs/dbraw/zinc/62/33/87/565623387.db2.gz HGTDATBPZXRKHC-WFASDCNBSA-N 1 0 387.343 2.896 20 0 GFADRO CC(C)[C@H]1CN(C(=O)c2cc(I)c(F)cc2F)CC[NH2+]1 ZINC000598572060 565627500 /nfs/dbraw/zinc/62/75/00/565627500.db2.gz KOUVRFOWRCXSAM-CYBMUJFWSA-N 1 0 394.203 2.639 20 0 GFADRO CC(C)[C@@H]1CN(C(=O)c2cc(I)c(F)cc2F)CC[NH2+]1 ZINC000598572062 565627536 /nfs/dbraw/zinc/62/75/36/565627536.db2.gz KOUVRFOWRCXSAM-ZDUSSCGKSA-N 1 0 394.203 2.639 20 0 GFADRO Cc1ccc(Br)c(S(=O)(=O)NC[C@H]2CCCC[N@@H+](C)C2)c1 ZINC000625423740 565629919 /nfs/dbraw/zinc/62/99/19/565629919.db2.gz YMKAHZDUXIZXSB-CYBMUJFWSA-N 1 0 375.332 2.768 20 0 GFADRO C[N@@H+]1CCCC[C@H](CNS(=O)(=O)Cc2ccc(Br)c(F)c2)C1 ZINC000625423092 565630034 /nfs/dbraw/zinc/63/00/34/565630034.db2.gz BVUGCXMCEJYVAV-CYBMUJFWSA-N 1 0 393.322 2.740 20 0 GFADRO [NH3+][C@H]1CCC[C@@H](NC(=O)c2ncc(Br)cc2Br)C1 ZINC000646996916 565631311 /nfs/dbraw/zinc/63/13/11/565631311.db2.gz CVBBGRFQJZNNOS-DTWKUNHWSA-N 1 0 377.080 2.606 20 0 GFADRO CC[C@H]1CN(C(=O)c2nn(-c3ccc(F)cc3)cc2Br)CC[C@@H]1[NH3+] ZINC000647008941 565632265 /nfs/dbraw/zinc/63/22/65/565632265.db2.gz WPXDXXYTXXTJIP-NHYWBVRUSA-N 1 0 395.276 2.973 20 0 GFADRO CC[C@@H]1CN(C(=O)Cc2csc(NC(=O)c3cccs3)n2)CC[C@@H]1[NH3+] ZINC000647006535 565632406 /nfs/dbraw/zinc/63/24/06/565632406.db2.gz RPLDDBFOVAXMPB-YPMHNXCESA-N 1 0 378.523 2.585 20 0 GFADRO Cc1nnc([C@H]2CC[N@@H+]([C@@H]3CCc4cc(Br)ccc4NC3=O)C2)[nH]1 ZINC000625471733 565632642 /nfs/dbraw/zinc/63/26/42/565632642.db2.gz LUGZNQLXGVKWQA-SWLSCSKDSA-N 1 0 390.285 2.618 20 0 GFADRO C[NH+](C)C[C@@H]1CCCCN1C(=O)c1cc(Br)cc2c1OCCO2 ZINC000668212118 565633302 /nfs/dbraw/zinc/63/33/02/565633302.db2.gz XNOOOKFRBNWSQH-ZDUSSCGKSA-N 1 0 383.286 2.777 20 0 GFADRO COC(=O)[C@@H]1CN(C(=O)[C@@H](C)Cc2ccc(Cl)cc2Cl)CC[N@H+](C)C1 ZINC000598793249 565642261 /nfs/dbraw/zinc/64/22/61/565642261.db2.gz YMJIUIOWINHFNJ-JSGCOSHPSA-N 1 0 387.307 2.735 20 0 GFADRO COc1ccccc1[C@H]([NH3+])CNS(=O)(=O)c1ccc(Br)cc1C ZINC000647187901 565644452 /nfs/dbraw/zinc/64/44/52/565644452.db2.gz ZWPVBDLZAOMNIE-CQSZACIVSA-N 1 0 399.310 2.744 20 0 GFADRO Cc1cc(F)c(Br)cc1S(=O)(=O)N(C1CC1)C1CC[NH2+]CC1 ZINC000647190959 565645916 /nfs/dbraw/zinc/64/59/16/565645916.db2.gz YCHYZFZQVUMVHO-UHFFFAOYSA-N 1 0 391.306 2.802 20 0 GFADRO OC[C@H](C[NH2+]Cc1cc(OC(F)F)ccc1Br)[C@H]1CCOC1 ZINC000647208609 565646041 /nfs/dbraw/zinc/64/60/41/565646041.db2.gz XWPRBWAGSFKKMZ-JQWIXIFHSA-N 1 0 380.229 2.785 20 0 GFADRO COCC[N@@H+]1CC[C@H](NC(=O)c2cc(-c3cccc(Br)c3)no2)C1 ZINC000668435470 565647171 /nfs/dbraw/zinc/64/71/71/565647171.db2.gz HJDHCIKIFJKNNO-AWEZNQCLSA-N 1 0 394.269 2.555 20 0 GFADRO COc1cc(Br)c(C[NH2+][C@H](CO)[C@@H]2CCC[C@@H](OC)C2)cc1O ZINC000668476999 565648199 /nfs/dbraw/zinc/64/81/99/565648199.db2.gz RLKORRDBACIPQA-UXIGCNINSA-N 1 0 388.302 2.819 20 0 GFADRO O=S(=O)(c1cc(F)ccc1Br)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647238852 565648688 /nfs/dbraw/zinc/64/86/88/565648688.db2.gz WSBZONMQBIDUMA-SMDDNHRTSA-N 1 0 391.306 2.741 20 0 GFADRO CC(C)[C@H]1CN(S(=O)(=O)c2ccc(Br)cc2Cl)CC[NH2+]1 ZINC000647256701 565649120 /nfs/dbraw/zinc/64/91/20/565649120.db2.gz BQJSRZVTPUOIQE-GFCCVEGCSA-N 1 0 381.723 2.721 20 0 GFADRO CC[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2Br)CC[C@@H]1[NH3+] ZINC000647269431 565651821 /nfs/dbraw/zinc/65/18/21/565651821.db2.gz SBCOYMQQETUUKJ-SKDRFNHKSA-N 1 0 381.723 2.850 20 0 GFADRO COC(=O)CCNC(=O)CC[NH2+][C@H]1C[C@H](C)c2c1cccc2Br ZINC000599088383 565656422 /nfs/dbraw/zinc/65/64/22/565656422.db2.gz JZLYFXPGANVMNS-FZMZJTMJSA-N 1 0 383.286 2.656 20 0 GFADRO Cc1cccc2cc(S(=O)(=O)N3C[C@@H](C[NH3+])C4(C3)CCOCC4)sc21 ZINC000647322905 565658130 /nfs/dbraw/zinc/65/81/30/565658130.db2.gz UCMOPLVOWRKNEJ-OAHLLOKOSA-N 1 0 380.535 2.586 20 0 GFADRO C[C@@H]1CN(S(=O)(=O)Cc2ccc(Br)cc2Cl)C[C@@]1(C)C[NH3+] ZINC000647324088 565658204 /nfs/dbraw/zinc/65/82/04/565658204.db2.gz KMEWGJFFJQLYKP-QMTHXVAHSA-N 1 0 395.750 2.849 20 0 GFADRO Cc1cccc2nc(CC[NH2+][C@@H](C)Cn3cc(Br)ccc3=O)cn21 ZINC000647363671 565658747 /nfs/dbraw/zinc/65/87/47/565658747.db2.gz GVHVUEVYSLHUGA-ZDUSSCGKSA-N 1 0 389.297 2.788 20 0 GFADRO COc1cc(Br)ccc1[C@H]1CCC[N@@H+]1C[C@@H](O)Cn1cccn1 ZINC000625791541 565659345 /nfs/dbraw/zinc/65/93/45/565659345.db2.gz GGONLOPZHKIZTK-GDBMZVCRSA-N 1 0 380.286 2.852 20 0 GFADRO Cc1noc(CCC[NH2+][C@]2(CO)CCc3cc(Br)ccc3C2)n1 ZINC000625797325 565660787 /nfs/dbraw/zinc/66/07/87/565660787.db2.gz TVCQTQNUMBIYSP-QGZVFWFLSA-N 1 0 380.286 2.583 20 0 GFADRO CC[C@H](c1ccc(Br)cc1)[NH+]1CCC(n2cc(C(N)=O)nn2)CC1 ZINC000625806223 565661665 /nfs/dbraw/zinc/66/16/65/565661665.db2.gz CULUZOCXPDMOCG-MRXNPFEDSA-N 1 0 392.301 2.928 20 0 GFADRO CC[C@@H]1CN(Cc2ccc(Br)cc2N2CCOCC2)CC[C@@H]1[NH3+] ZINC000647497371 565661820 /nfs/dbraw/zinc/66/18/20/565661820.db2.gz FETHAAYKHYUAKC-PBHICJAKSA-N 1 0 382.346 2.845 20 0 GFADRO O=C(Nc1ccc(=O)n(Cc2ccc(Cl)c(Cl)c2)c1)N[C@@H]1CC[NH2+]C1 ZINC000625854346 565662458 /nfs/dbraw/zinc/66/24/58/565662458.db2.gz JADGWBMKWMEFRI-GFCCVEGCSA-N 1 0 381.263 2.687 20 0 GFADRO CCCOc1c(Br)cc(CN2CCO[C@@H]([C@H](C)[NH3+])C2)cc1OC ZINC000647508678 565662725 /nfs/dbraw/zinc/66/27/25/565662725.db2.gz XPCKLHHYFAUHQK-BLLLJJGKSA-N 1 0 387.318 2.795 20 0 GFADRO Cc1ccccc1C[C@H](CO)[NH2+]C[C@H](O)COc1cccc(Br)c1 ZINC000647525397 565662732 /nfs/dbraw/zinc/66/27/32/565662732.db2.gz YOIQFMZXQYPKRA-MSOLQXFVSA-N 1 0 394.309 2.690 20 0 GFADRO C[NH2+]Cc1ccc(NC(=O)NCc2cc(Br)cnc2OC)cc1 ZINC000625897478 565665765 /nfs/dbraw/zinc/66/57/65/565665765.db2.gz DSCGJDDGXMZTMC-UHFFFAOYSA-N 1 0 379.258 2.894 20 0 GFADRO CC[C@H](C[NH+]1CCCC1)NC(=O)c1cc(Br)cc2c1OCCO2 ZINC000668829780 565668767 /nfs/dbraw/zinc/66/87/67/565668767.db2.gz PSPJQPTTYBAPEC-CYBMUJFWSA-N 1 0 383.286 2.825 20 0 GFADRO O=C(c1cc(Cl)cc(F)c1Br)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000647707665 565672230 /nfs/dbraw/zinc/67/22/30/565672230.db2.gz BIKYDGINOOHQRT-QWRGUYRKSA-N 1 0 391.668 2.523 20 0 GFADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cc(C)cc(Br)c3F)C2)CC1 ZINC000599368686 565672468 /nfs/dbraw/zinc/67/24/68/565672468.db2.gz GLXLGNREMPGAAZ-CQSZACIVSA-N 1 0 398.320 2.749 20 0 GFADRO C[C@@H]1COCC[N@@H+]1C1CCN(C(=O)COc2cccc(Br)c2)CC1 ZINC000647764447 565674715 /nfs/dbraw/zinc/67/47/15/565674715.db2.gz ZATLMXBUQXXCLZ-CQSZACIVSA-N 1 0 397.313 2.540 20 0 GFADRO O=C(c1cc(Br)cc2c1OCCO2)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000669045306 565676096 /nfs/dbraw/zinc/67/60/96/565676096.db2.gz ORDKQUDJSBINAG-ZDUSSCGKSA-N 1 0 395.297 2.778 20 0 GFADRO C[C@@H]1C[C@@H](N(C)C(=O)c2cc(Br)cc3[nH]c(=O)[nH]c32)CC[N@@H+]1C ZINC000669129020 565678852 /nfs/dbraw/zinc/67/88/52/565678852.db2.gz RYSMNNASKUSZRI-KOLCDFICSA-N 1 0 381.274 2.586 20 0 GFADRO CC(=O)NC[C@@H]1CCCC[N@@H+]1C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000626154432 565679275 /nfs/dbraw/zinc/67/92/75/565679275.db2.gz OKVQSNQTMWGBJH-UONOGXRCSA-N 1 0 375.296 2.724 20 0 GFADRO CC(=O)NC[C@@H]1CCCC[N@@H+]1C[C@H](O)COc1ccc(Cl)cc1Cl ZINC000626154475 565679301 /nfs/dbraw/zinc/67/93/01/565679301.db2.gz PPRAKTNZIBYKFY-GJZGRUSLSA-N 1 0 375.296 2.724 20 0 GFADRO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)CSc1nncn1-c1cccc(Cl)c1 ZINC000647830115 565679828 /nfs/dbraw/zinc/67/98/28/565679828.db2.gz MUEJJDHVHNUTHI-DOMZBBRYSA-N 1 0 379.917 2.564 20 0 GFADRO CC(=O)NC[C@H]1CCCC[N@@H+]1C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000626154433 565679948 /nfs/dbraw/zinc/67/99/48/565679948.db2.gz OKVQSNQTMWGBJH-ZIAGYGMSSA-N 1 0 375.296 2.724 20 0 GFADRO CC[C@H]1CN(CC(=O)Nc2c(F)cc(F)cc2Br)CC[C@@H]1[NH3+] ZINC000647938555 565684438 /nfs/dbraw/zinc/68/44/38/565684438.db2.gz PTFJSCWHDSFPRV-ZANVPECISA-N 1 0 376.245 2.725 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CN(C(=O)NCC2(c3cccc(Br)c3)CCC2)CCO1 ZINC000669403507 565687110 /nfs/dbraw/zinc/68/71/10/565687110.db2.gz ZEPLAWKRLMOENY-CJNGLKHVSA-N 1 0 396.329 2.628 20 0 GFADRO CCOC(=O)[C@](C)(O)C[N@@H+]1CC[C@H](Sc2ccc(Br)cc2)C1 ZINC000599526732 565687311 /nfs/dbraw/zinc/68/73/11/565687311.db2.gz QRGGSRAQPFKIEW-GOEBONIOSA-N 1 0 388.327 2.930 20 0 GFADRO O=C(N[C@@H]1CCOc2ccc(Br)cc21)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000669406794 565688134 /nfs/dbraw/zinc/68/81/34/565688134.db2.gz NNYMLJVDMQHITF-VNHYZAJKSA-N 1 0 380.286 2.809 20 0 GFADRO COc1ccc(Br)cc1CNC(=O)C1([NH3+])Cc2ccccc2C1 ZINC000648046582 565688824 /nfs/dbraw/zinc/68/88/24/565688824.db2.gz IKLYHIXJQIFBHH-UHFFFAOYSA-N 1 0 375.266 2.570 20 0 GFADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C[C@H]1CNc2ccnn2C1 ZINC000648035095 565688844 /nfs/dbraw/zinc/68/88/44/565688844.db2.gz RGEPSSMJDJPKFG-MRXNPFEDSA-N 1 0 392.345 2.751 20 0 GFADRO COC(=O)c1occc1C[NH2+][C@@]1(CO)CCc2cc(Br)ccc2C1 ZINC000599572647 565688854 /nfs/dbraw/zinc/68/88/54/565688854.db2.gz DJZQNUXZWHHOCO-SFHVURJKSA-N 1 0 394.265 2.838 20 0 GFADRO O=C(NCc1cc(Br)ccc1OC(F)F)N[C@H]1CCC[NH2+]CC1 ZINC000669437234 565688926 /nfs/dbraw/zinc/68/89/26/565688926.db2.gz SFGMLTGNZNPHIW-LBPRGKRZSA-N 1 0 392.244 2.992 20 0 GFADRO CCSc1ccc(Cl)cc1NC(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000626366235 565689107 /nfs/dbraw/zinc/68/91/07/565689107.db2.gz YQXJPTLAHREWJA-AWEZNQCLSA-N 1 0 384.933 2.913 20 0 GFADRO O=C(NCc1cc(Br)ccc1OC(F)F)NC[C@@H]1CCCC[NH2+]1 ZINC000669437159 565689264 /nfs/dbraw/zinc/68/92/64/565689264.db2.gz BIXPNIRUGLGSJI-LBPRGKRZSA-N 1 0 392.244 2.992 20 0 GFADRO O=C(NCC1(c2ccccc2Br)CC1)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000669495220 565690361 /nfs/dbraw/zinc/69/03/61/565690361.db2.gz YCRDUZMFSYDRTK-CJNGLKHVSA-N 1 0 378.314 2.874 20 0 GFADRO CCS(=O)(=O)c1ccc(Sc2ccccc2C(=O)NC[C@@H](C)[NH3+])cc1 ZINC000648129460 565690957 /nfs/dbraw/zinc/69/09/57/565690957.db2.gz ZRYHRJGNPYWINF-CYBMUJFWSA-N 1 0 378.519 2.708 20 0 GFADRO C[C@H](CNC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)Oc1cccc(Br)c1 ZINC000669505839 565691193 /nfs/dbraw/zinc/69/11/93/565691193.db2.gz GXXHKCNWQMKWAH-YUELXQCFSA-N 1 0 382.302 2.752 20 0 GFADRO O=C(c1cc([C@H]2CC[NH2+]C2)n[nH]1)N1CCc2c(F)cc(Br)cc2C1 ZINC000648101952 565691361 /nfs/dbraw/zinc/69/13/61/565691361.db2.gz LGDNGJZUMZSNQX-JTQLQIEISA-N 1 0 393.260 2.587 20 0 GFADRO COC(=O)[C@@]1(NCC[C@H]2CCC[N@@H+]2C)CCc2cc(Br)ccc2C1 ZINC000599595745 565691611 /nfs/dbraw/zinc/69/16/11/565691611.db2.gz XNJMCRPUIGLCJR-IEBWSBKVSA-N 1 0 395.341 2.924 20 0 GFADRO CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000669551719 565692172 /nfs/dbraw/zinc/69/21/72/565692172.db2.gz GKDHSVVSJCXJPS-QANKJYHBSA-N 1 0 396.329 2.920 20 0 GFADRO O=C(C(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1)c1ccc(Br)cc1 ZINC000648143258 565692460 /nfs/dbraw/zinc/69/24/60/565692460.db2.gz MKLUUEHWKPUPMT-HUUCEWRRSA-N 1 0 379.298 2.870 20 0 GFADRO O=C(NC[C@@H]1CCC[NH2+]1)N[C@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O ZINC000669568996 565693143 /nfs/dbraw/zinc/69/31/43/565693143.db2.gz PLLHMKNCWAJKKK-JSGCOSHPSA-N 1 0 385.295 2.540 20 0 GFADRO COc1cc(Br)ccc1CNC(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000669565653 565693639 /nfs/dbraw/zinc/69/36/39/565693639.db2.gz OUTVGMAOZNHRIE-UKRRQHHQSA-N 1 0 396.329 2.989 20 0 GFADRO C[C@@H](CC(=O)N1CCc2ccccc2[C@H]1C[NH3+])n1cc(Br)cn1 ZINC000648199199 565693690 /nfs/dbraw/zinc/69/36/90/565693690.db2.gz CYAYNHWEHNAPBJ-BLLLJJGKSA-N 1 0 377.286 2.681 20 0 GFADRO CCOC(=O)c1ccsc1NC(=O)N1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000599608381 565694151 /nfs/dbraw/zinc/69/41/51/565694151.db2.gz PLRUBLQNFAOANI-KOLCDFICSA-N 1 0 379.404 2.916 20 0 GFADRO CC[C@H]1CN(C(=O)NCc2cc(F)c(F)cc2Br)CC[C@H]1[NH3+] ZINC000669584857 565694585 /nfs/dbraw/zinc/69/45/85/565694585.db2.gz FRVGHYCJABZTLK-LKFCYVNXSA-N 1 0 376.245 2.996 20 0 GFADRO COc1cc(C(=O)N[C@@H]2CC[NH2+]C23CCCC3)cc(Br)c1OC ZINC000648211499 565694637 /nfs/dbraw/zinc/69/46/37/565694637.db2.gz UBMTXMRPEQGKEC-CQSZACIVSA-N 1 0 383.286 2.871 20 0 GFADRO CC[C@@H]1CN(C(=O)N[C@H]2COc3cc(F)c(Br)cc32)CC[C@H]1[NH3+] ZINC000669581116 565694703 /nfs/dbraw/zinc/69/47/03/565694703.db2.gz RXQNZHAYMHIRCW-FZQKWOKYSA-N 1 0 386.265 2.791 20 0 GFADRO C[N@@H+]1CCN(CCNC(=O)CCCc2cccc(Br)c2)CC1(C)C ZINC000669622529 565695513 /nfs/dbraw/zinc/69/55/13/565695513.db2.gz VQAGXGZQRFHNFO-UHFFFAOYSA-N 1 0 396.373 2.914 20 0 GFADRO CN1CCOC[C@@H]1CNC(=O)Nc1cc(F)c(Br)c(Cl)c1 ZINC000626563059 565700146 /nfs/dbraw/zinc/70/01/46/565700146.db2.gz SUKCCTPNIXNSGC-VIFPVBQESA-N 1 0 380.645 2.694 20 0 GFADRO CCCOc1c(Cl)cc(C[NH2+]C2CC(NS(C)(=O)=O)C2)cc1OCC ZINC000669831530 565703236 /nfs/dbraw/zinc/70/32/36/565703236.db2.gz CJZNGPLDVDHZOG-UHFFFAOYSA-N 1 0 390.933 2.697 20 0 GFADRO CC[N@@H+]1CCN(c2nnc(-c3ccc(F)cc3Br)n2C)C[C@@H]1C ZINC000669801256 565703299 /nfs/dbraw/zinc/70/32/99/565703299.db2.gz JLRLIOQBHHXZFQ-NSHDSACASA-N 1 0 382.281 2.914 20 0 GFADRO C[C@@H]1C[C@@H]([NH2+][C@H]2CCc3ccc(Br)cc32)C(=O)N1c1cnn(C)c1 ZINC000669848807 565705561 /nfs/dbraw/zinc/70/55/61/565705561.db2.gz STEZYSPRHFKRIY-ZTFRIQLXSA-N 1 0 389.297 2.954 20 0 GFADRO CC1([NH3+])CCN(C(=O)C(=O)Nc2cc(Cl)c(Br)cc2F)CC1 ZINC000626835537 565711908 /nfs/dbraw/zinc/71/19/08/565711908.db2.gz WYQWBAQXKYMMMA-UHFFFAOYSA-N 1 0 392.656 2.520 20 0 GFADRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)NCC1(c2cccc(Br)c2)CCOCC1 ZINC000626943308 565715962 /nfs/dbraw/zinc/71/59/62/565715962.db2.gz ASHPDSPPNPGXTM-XJKSGUPXSA-N 1 0 396.329 2.547 20 0 GFADRO COc1cc(Br)ccc1CCCNC(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000627012580 565719030 /nfs/dbraw/zinc/71/90/30/565719030.db2.gz BPUKGKRCAVEUSU-WFASDCNBSA-N 1 0 384.318 2.830 20 0 GFADRO O=C(NC[C@@H]1C[N@@H+]2CCN1CCC2)c1csc(-c2ccc(Cl)cc2)n1 ZINC000670406185 565721905 /nfs/dbraw/zinc/72/19/05/565721905.db2.gz JIHATQPAIUWACA-OAHLLOKOSA-N 1 0 376.913 2.583 20 0 GFADRO [NH3+]CC1(NC(=O)NCC/C=C\c2ccc(Br)cc2)CCOCC1 ZINC000627123712 565722567 /nfs/dbraw/zinc/72/25/67/565722567.db2.gz XYCQSBWTNJOTDV-IWQZZHSRSA-N 1 0 382.302 2.660 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CN(C(=O)NCC/C=C/c2ccc(Br)cc2)CCO1 ZINC000627123218 565722615 /nfs/dbraw/zinc/72/26/15/565722615.db2.gz PNBZPFZELUGAHC-DKLCWZCQSA-N 1 0 382.302 2.610 20 0 GFADRO CCO[C@@H]1CN(C(=O)NCC/C=C\c2ccc(Br)cc2)C[C@H]1C[NH3+] ZINC000627122905 565722867 /nfs/dbraw/zinc/72/28/67/565722867.db2.gz MACBLHVEKIRCRO-CEBMOZKTSA-N 1 0 396.329 2.858 20 0 GFADRO COc1ncc(Br)cc1CNC(=O)N(CC[NH3+])Cc1ccccc1 ZINC000627157227 565723355 /nfs/dbraw/zinc/72/33/55/565723355.db2.gz QMMPVOZZRWOGJJ-UHFFFAOYSA-N 1 0 393.285 2.523 20 0 GFADRO CC[C@H](Cc1ccccc1Br)N(C)C(=O)NCCOCC[NH2+]C ZINC000627175046 565724945 /nfs/dbraw/zinc/72/49/45/565724945.db2.gz URUXQTRFPKLNKY-OAHLLOKOSA-N 1 0 386.334 2.648 20 0 GFADRO C[C@@H](NC(=O)C(=O)NCCc1ccc(Cl)cc1Cl)C(C)(C)C[NH+](C)C ZINC000670496357 565726433 /nfs/dbraw/zinc/72/64/33/565726433.db2.gz NCJSYJVVHCEVOS-GFCCVEGCSA-N 1 0 388.339 2.745 20 0 GFADRO O=C(COc1c(Cl)cc(Cl)cc1Cl)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000627269824 565730472 /nfs/dbraw/zinc/73/04/72/565730472.db2.gz YJTXMOIPPSEWAR-VXGBXAGGSA-N 1 0 393.698 2.693 20 0 GFADRO O=C(c1cc(F)c(Br)cc1Cl)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000627265515 565730798 /nfs/dbraw/zinc/73/07/98/565730798.db2.gz JVKFLNGRBUXQBH-NXEZZACHSA-N 1 0 391.668 2.523 20 0 GFADRO Cn1nc2cc(Br)ccc2c1C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000648831062 565731910 /nfs/dbraw/zinc/73/19/10/565731910.db2.gz LHLWDDFSLFHLKO-LRDDRELGSA-N 1 0 391.313 2.892 20 0 GFADRO CN(C(=O)c1cnn(-c2ccc(Br)cc2)c1)[C@@H]1C[NH+]2CCC1CC2 ZINC000600516800 565735306 /nfs/dbraw/zinc/73/53/06/565735306.db2.gz ONAGKMURYVUPFP-QGZVFWFLSA-N 1 0 389.297 2.801 20 0 GFADRO C[C@@H](NCC1([NH3+])CCOCC1)c1ccc(F)c(I)c1 ZINC000600710265 565745488 /nfs/dbraw/zinc/74/54/88/565745488.db2.gz QYXZHRJKXFCHRS-SNVBAGLBSA-N 1 0 378.229 2.589 20 0 GFADRO CC[NH+](CC)[C@H](CNC(=O)C(=O)N1CCSCC[C@H]1C)c1ccsc1 ZINC000670969519 565748822 /nfs/dbraw/zinc/74/88/22/565748822.db2.gz DQQKNMVESNTKFD-GDBMZVCRSA-N 1 0 383.583 2.601 20 0 GFADRO CC(C)n1ncc2c1C[C@H]([NH2+][C@H](C)Cn1cc(Br)ccc1=O)CC2 ZINC000671121509 565753006 /nfs/dbraw/zinc/75/30/06/565753006.db2.gz ZSBAAXPNADVYSU-CZUORRHYSA-N 1 0 393.329 2.924 20 0 GFADRO CC(C)(CO)[NH+]1CCN(c2ncc(Br)cc2C(F)(F)F)CC1 ZINC000649277896 565756909 /nfs/dbraw/zinc/75/69/09/565756909.db2.gz CEPUJMCAIXKOFF-UHFFFAOYSA-N 1 0 382.224 2.756 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)[C@H]1CCCC[N@H+]1C ZINC000600986249 565761665 /nfs/dbraw/zinc/76/16/65/565761665.db2.gz MYIURCFSVCGHQP-OAHLLOKOSA-N 1 0 382.302 2.687 20 0 GFADRO Cc1ccc(Br)c(NC(=O)C(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)c1 ZINC000627906520 565762179 /nfs/dbraw/zinc/76/21/79/565762179.db2.gz AEXPOYZGXFADEZ-CQSZACIVSA-N 1 0 394.313 2.829 20 0 GFADRO CC[C@@H]1[C@@H](C(=O)Nc2cc(OC)ccc2I)CC[N@@H+]1C ZINC000601024637 565762537 /nfs/dbraw/zinc/76/25/37/565762537.db2.gz VZIPUEFLFABBQU-SMDDNHRTSA-N 1 0 388.249 2.969 20 0 GFADRO C[C@H]([NH2+]Cc1ccc(Cl)c(S(N)(=O)=O)c1)c1ccc([S@@](C)=O)cc1 ZINC000601113963 565767489 /nfs/dbraw/zinc/76/74/89/565767489.db2.gz KPBBSNXLJXHUNA-BSNNYGBQSA-N 1 0 386.926 2.576 20 0 GFADRO Cc1cc(C)c(C(=O)NCCN(C)CCC[NH+](C)C)c(C)c1Br ZINC000628062997 565772186 /nfs/dbraw/zinc/77/21/86/565772186.db2.gz WIPPUNGDGVOYEU-UHFFFAOYSA-N 1 0 384.362 2.988 20 0 GFADRO Cc1ncc(C[N@@H+]2CCC[C@@H](C(=O)Nc3ccc(Br)cn3)C2)o1 ZINC000628143902 565776337 /nfs/dbraw/zinc/77/63/37/565776337.db2.gz GDNHBVDKFAKLPU-GFCCVEGCSA-N 1 0 379.258 2.991 20 0 GFADRO C[C@@H](CO)C1CC[NH+]([C@@H]2CCN(c3cccc(Br)c3)C2=O)CC1 ZINC000649798561 565778843 /nfs/dbraw/zinc/77/88/43/565778843.db2.gz CJPYNCQWNNRLEY-SUMWQHHRSA-N 1 0 381.314 2.895 20 0 GFADRO C[C@H](CO)C1CC[NH+](CC(=O)N(C)Cc2cc(Br)cs2)CC1 ZINC000649802277 565779331 /nfs/dbraw/zinc/77/93/31/565779331.db2.gz JBCTUYAIEYAUTG-GFCCVEGCSA-N 1 0 389.359 2.809 20 0 GFADRO Cc1cc(CN2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)ncc1Br ZINC000628186352 565779787 /nfs/dbraw/zinc/77/97/87/565779787.db2.gz HGPUJFDWFBECJN-MAUKXSAKSA-N 1 0 381.362 2.610 20 0 GFADRO CO[C@@]1(C(F)(F)F)CCC[N@H+](CCc2c(C)nc3sccn3c2=O)C1 ZINC000671688531 565779897 /nfs/dbraw/zinc/77/98/97/565779897.db2.gz IREFZILARCWZND-HNNXBMFYSA-N 1 0 375.416 2.650 20 0 GFADRO Cc1cc(NC(=O)c2nscc2Br)n(C2CC[NH+](C)CC2)n1 ZINC000649815458 565780190 /nfs/dbraw/zinc/78/01/90/565780190.db2.gz BAWNBBZXXIUTIK-UHFFFAOYSA-N 1 0 384.303 2.930 20 0 GFADRO Cc1nc(C)c(C[NH2+]CCc2ccc(S(=O)(=O)N3CCCCC3)s2)o1 ZINC000628222504 565780786 /nfs/dbraw/zinc/78/07/86/565780786.db2.gz UOUUTQMXOCDSAS-UHFFFAOYSA-N 1 0 383.539 2.860 20 0 GFADRO CC[NH+](CC)CCN(C(=O)c1ccn(C)n1)c1ccc(Br)cn1 ZINC000649988579 565791530 /nfs/dbraw/zinc/79/15/30/565791530.db2.gz AMMYAFKIHZZONH-UHFFFAOYSA-N 1 0 380.290 2.566 20 0 GFADRO C[C@@H]1C[C@H]([NH3+])CN1C(=O)Nc1cc(F)c(I)c(F)c1 ZINC000601558979 565792167 /nfs/dbraw/zinc/79/21/67/565792167.db2.gz LPYUMUVQJLZPEJ-RQJHMYQMSA-N 1 0 381.164 2.523 20 0 GFADRO COC(=O)c1cc(NC(=O)N[C@H]2CC[C@H](C[NH3+])CC2)ccc1Br ZINC000601560013 565792248 /nfs/dbraw/zinc/79/22/48/565792248.db2.gz ILWMDOFICVMGEF-XYPYZODXSA-N 1 0 384.274 2.875 20 0 GFADRO CCOC(=O)c1cc(Br)ccc1NC(=O)N1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000601564848 565792426 /nfs/dbraw/zinc/79/24/26/565792426.db2.gz XJEVTGFPTOTLDR-GHMZBOCLSA-N 1 0 384.274 2.684 20 0 GFADRO Cc1cccc(C(=O)N2CCC[C@H]3C[NH2+]CC[C@H]32)c1I ZINC000601559625 565792507 /nfs/dbraw/zinc/79/25/07/565792507.db2.gz VEWNNUOTTFJZFF-GXTWGEPZSA-N 1 0 384.261 2.814 20 0 GFADRO O[C@H]1CCC[C@@H]1[NH+]1CCN(c2ccc(Br)c(C(F)(F)F)n2)CC1 ZINC000672207508 565798986 /nfs/dbraw/zinc/79/89/86/565798986.db2.gz PAPWLOMFDZPWPG-RYUDHWBXSA-N 1 0 394.235 2.898 20 0 GFADRO COCC[NH+](CCOC)C1CCN(C(=O)NCc2ccc(Cl)s2)CC1 ZINC000672356371 565802663 /nfs/dbraw/zinc/80/26/63/565802663.db2.gz OGDWHLOHEZVAAW-UHFFFAOYSA-N 1 0 389.949 2.670 20 0 GFADRO Cc1nc2ccc(Br)cn2c1C(=O)NC[C@@H]1CCCC[N@@H+](C)C1 ZINC000628755084 565806420 /nfs/dbraw/zinc/80/64/20/565806420.db2.gz TTXNFAJUDKDQJH-ZDUSSCGKSA-N 1 0 379.302 2.867 20 0 GFADRO CCCC[C@H](NC(N)=O)C(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000628968601 565817691 /nfs/dbraw/zinc/81/76/91/565817691.db2.gz KOPFPIFZEWJUDP-LSDHHAIUSA-N 1 0 389.327 2.939 20 0 GFADRO CC(C)C[N@H+](C)CCCNC(=O)NCC(=O)Nc1ccc(Br)cc1 ZINC000650696175 565831407 /nfs/dbraw/zinc/83/14/07/565831407.db2.gz SHDDJVDPJKXJTD-UHFFFAOYSA-N 1 0 399.333 2.665 20 0 GFADRO CN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)CC[N@@H+]2CCC23CCC3)c1 ZINC000673714461 565845356 /nfs/dbraw/zinc/84/53/56/565845356.db2.gz ZZBLGNJFMWNPDK-UHFFFAOYSA-N 1 0 385.917 2.547 20 0 GFADRO COc1ccc(Br)cc1CNC(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000673869574 565851457 /nfs/dbraw/zinc/85/14/57/565851457.db2.gz ASDJIWNXRBIBAI-UHFFFAOYSA-N 1 0 396.289 2.538 20 0 GFADRO C[S@](=O)C1(C(=O)NCc2cnc(-c3ccc(Cl)cc3)s2)CC[NH2+]CC1 ZINC000602505760 565852740 /nfs/dbraw/zinc/85/27/40/565852740.db2.gz YVDSQYKACUXZFK-VWLOTQADSA-N 1 0 397.953 2.580 20 0 GFADRO O=C(NCC1([NH+]2CCCCC2)CCOCC1)c1nscc1Br ZINC000651307446 565855303 /nfs/dbraw/zinc/85/53/03/565855303.db2.gz BLYJAPCDBSXWEW-UHFFFAOYSA-N 1 0 388.331 2.671 20 0 GFADRO CC[NH+]1CCN(CCNC(=O)c2ccc(Br)c(OC(C)C)c2)CC1 ZINC000651330664 565857774 /nfs/dbraw/zinc/85/77/74/565857774.db2.gz CRMLYKMUJYBRHN-UHFFFAOYSA-N 1 0 398.345 2.604 20 0 GFADRO C[C@H](C(=O)NCc1ccc(Cl)cc1)N1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629563282 565858941 /nfs/dbraw/zinc/85/89/41/565858941.db2.gz DNYZILPLERJPKN-UXIGCNINSA-N 1 0 377.838 2.804 20 0 GFADRO [NH3+]C[C@@H]1CN([C@H]2CCN(c3ccccc3Cl)C2=O)CC[C@@H]1C(F)(F)F ZINC000629564415 565859208 /nfs/dbraw/zinc/85/92/08/565859208.db2.gz UGSYVDCHUKORBR-XUJVJEKNSA-N 1 0 375.822 2.904 20 0 GFADRO CO[C@@H](C[NH2+]Cc1ccc(I)c(C)c1)[C@@H]1CCOC1 ZINC000602646221 565859274 /nfs/dbraw/zinc/85/92/74/565859274.db2.gz AXTGREOWBBQUKH-HIFRSBDPSA-N 1 0 375.250 2.741 20 0 GFADRO [NH3+]C[C@@H]1CN([C@@H]2CCN(c3ccc(Cl)cc3)C2=O)CC[C@@H]1C(F)(F)F ZINC000629560483 565859423 /nfs/dbraw/zinc/85/94/23/565859423.db2.gz FIJROPHXBDCVEA-BYCMXARLSA-N 1 0 375.822 2.904 20 0 GFADRO CCOC(=O)c1cc(C[NH2+]C[C@@H](CO)Cc2ccc(Br)cc2)on1 ZINC000602637828 565859982 /nfs/dbraw/zinc/85/99/82/565859982.db2.gz NWYHNOMUAJAMCN-ZDUSSCGKSA-N 1 0 397.269 2.555 20 0 GFADRO CCOC1CC(C[NH2+]CC(=O)Nc2ccc(I)cc2)C1 ZINC000602654180 565860462 /nfs/dbraw/zinc/86/04/62/565860462.db2.gz PRKNRKWQFHSKDM-UHFFFAOYSA-N 1 0 388.249 2.634 20 0 GFADRO O=C1[C@@H](NC[C@@H](O)C[NH+]2CCCC2)CCCN1c1ccc(Cl)cc1Cl ZINC000629573411 565860748 /nfs/dbraw/zinc/86/07/48/565860748.db2.gz BIVBUKRJQFGDOZ-ZBFHGGJFSA-N 1 0 386.323 2.535 20 0 GFADRO CCOC(=O)[C@@H]1CCCC[C@@H]1[NH2+]Cc1cnn2cc(Br)cnc12 ZINC000602686550 565864344 /nfs/dbraw/zinc/86/43/44/565864344.db2.gz XDTUZUIXLFYLGR-KGLIPLIRSA-N 1 0 381.274 2.703 20 0 GFADRO CC(C)C[C@H](Cc1cccc(Br)c1)C(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000629914374 565875973 /nfs/dbraw/zinc/87/59/73/565875973.db2.gz QIIOXFZKRJWVEA-AEFFLSMTSA-N 1 0 397.357 2.837 20 0 GFADRO Cc1cc(Br)sc1S(=O)(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000651603973 565879093 /nfs/dbraw/zinc/87/90/93/565879093.db2.gz MDWJQLDSSAJKHY-VXGBXAGGSA-N 1 0 393.372 2.924 20 0 GFADRO C[NH2+]C1(CNC(=O)[C@H](c2ccc(Br)cc2)N2CCCC2)CCC1 ZINC000630002585 565879824 /nfs/dbraw/zinc/87/98/24/565879824.db2.gz WVDSIZOCBWBAEO-INIZCTEOSA-N 1 0 380.330 2.844 20 0 GFADRO Cc1c(Br)cncc1C(=O)N1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000630094060 565881035 /nfs/dbraw/zinc/88/10/35/565881035.db2.gz ZBWGMMSKCDSZAS-GXSJLCMTSA-N 1 0 380.208 2.752 20 0 GFADRO CN(CCCC[NH+](C)C)C(=O)C(=O)Nc1cc(Cl)cc(Br)c1 ZINC000651684103 565885584 /nfs/dbraw/zinc/88/55/84/565885584.db2.gz CGDDKEYRMOSIFT-UHFFFAOYSA-N 1 0 390.709 2.841 20 0 GFADRO COCCSCCCn1cc([C@@H]([NH3+])c2ccc(Br)cc2)nn1 ZINC000603232898 565890734 /nfs/dbraw/zinc/89/07/34/565890734.db2.gz XDECBBQCGOAGBY-HNNXBMFYSA-N 1 0 385.331 2.858 20 0 GFADRO COc1ccc(S(=O)(=O)NCCC[N@H+](C)CC(C)C)c(Br)c1 ZINC000651769221 565891878 /nfs/dbraw/zinc/89/18/78/565891878.db2.gz XKFZDLAKRMQYEX-UHFFFAOYSA-N 1 0 393.347 2.714 20 0 GFADRO C[NH+](C)C[C@H](CNS(=O)(=O)CCOCC1CCC1)c1ccc(Cl)cc1 ZINC000651764739 565891667 /nfs/dbraw/zinc/89/16/67/565891667.db2.gz MNRRRLJODHKQJI-KRWDZBQOSA-N 1 0 388.961 2.721 20 0 GFADRO C[NH+](C)C[C@H]1CN(S(=O)(=O)c2ccc(Cl)cc2F)c2ccccc2O1 ZINC000675472705 565905101 /nfs/dbraw/zinc/90/51/01/565905101.db2.gz RELXLEYQAHDVFP-ZDUSSCGKSA-N 1 0 384.860 2.997 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH2+]CC[C@@]1(O)CCOC1 ZINC000651942265 565906189 /nfs/dbraw/zinc/90/61/89/565906189.db2.gz ATGXJCSWBPCVQZ-GOSISDBHSA-N 1 0 394.313 2.883 20 0 GFADRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)c1ncc(I)s1 ZINC000603437201 565907014 /nfs/dbraw/zinc/90/70/14/565907014.db2.gz JFMVGYILQQWRSL-SNVBAGLBSA-N 1 0 393.294 2.694 20 0 GFADRO C[C@@H](c1ccccc1Br)n1cc(CCN2CCC([NH3+])CC2)nn1 ZINC000630612394 565911571 /nfs/dbraw/zinc/91/15/71/565911571.db2.gz MTXFNBLDMVPRBQ-ZDUSSCGKSA-N 1 0 378.318 2.616 20 0 GFADRO CCO[C@@H]1CN(C(=O)NCc2cc(Cl)ccc2Br)C[C@H]1C[NH3+] ZINC000652223568 565919691 /nfs/dbraw/zinc/91/96/91/565919691.db2.gz IEUSZRLITCUDQZ-BXUZGUMPSA-N 1 0 390.709 2.608 20 0 GFADRO CC[C@@H](Cc1cccs1)[NH2+]Cc1cccc(S(=O)(=O)NCCOC)c1 ZINC000675890909 565919973 /nfs/dbraw/zinc/91/99/73/565919973.db2.gz YXZXPHLILPIJMX-INIZCTEOSA-N 1 0 382.551 2.784 20 0 GFADRO C[NH+](C)CCn1cc(NC(=O)[C@@H]2[C@@H]3Cc4cc(Br)ccc4[C@@H]32)cn1 ZINC000630873257 565923698 /nfs/dbraw/zinc/92/36/98/565923698.db2.gz FHDYJYIOHGJGMK-IXDOHACOSA-N 1 0 389.297 2.732 20 0 GFADRO CCO[C@@H]1CN(CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)C[C@H]1C[NH3+] ZINC000652358605 565925045 /nfs/dbraw/zinc/92/50/45/565925045.db2.gz WSENIFKAHFIFBG-QMTHXVAHSA-N 1 0 379.810 2.593 20 0 GFADRO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCN(S(=O)(=O)c3c(Cl)cccc3Cl)C2)C1 ZINC000652375613 565925353 /nfs/dbraw/zinc/92/53/53/565925353.db2.gz VNPDFYSOWJHZNP-LALPHHSUSA-N 1 0 393.336 2.900 20 0 GFADRO C[C@@H]1CCCN(S(=O)(=O)N(C)Cc2c(F)cccc2Cl)[C@H]1CC[NH3+] ZINC000652377295 565925505 /nfs/dbraw/zinc/92/55/05/565925505.db2.gz DKYGHBGVBNLAHR-WBMJQRKESA-N 1 0 377.913 2.605 20 0 GFADRO CC(C)(C)c1ccc(S(=O)(=O)N2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)s1 ZINC000652374569 565925649 /nfs/dbraw/zinc/92/56/49/565925649.db2.gz WCFQSMBBWKBGDS-SOUVJXGZSA-N 1 0 386.583 2.953 20 0 GFADRO COc1ccc(S(=O)(=O)N2CCC[C@@H](C)[C@@H]2CC[NH3+])c(Br)c1 ZINC000652377691 565926786 /nfs/dbraw/zinc/92/67/86/565926786.db2.gz NCBITXMIUUDXFJ-RISCZKNCSA-N 1 0 391.331 2.596 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2S(=O)(=O)c2ccc(F)c(Cl)c2)C1 ZINC000652384833 565927571 /nfs/dbraw/zinc/92/75/71/565927571.db2.gz PMFMARPFYLQMAL-LYRGGWFBSA-N 1 0 376.881 2.529 20 0 GFADRO CCO[C@@H]1CN(C(=O)Nc2ccc(Cl)cc2Br)C[C@H]1C[NH3+] ZINC000652583691 565934607 /nfs/dbraw/zinc/93/46/07/565934607.db2.gz LYXBHGQGXZVAQN-NOZJJQNGSA-N 1 0 376.682 2.930 20 0 GFADRO CCCSc1nsc(NC(=O)N2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)n1 ZINC000652583629 565935008 /nfs/dbraw/zinc/93/50/08/565935008.db2.gz KBAJPENKDFTGSF-XQQFMLRXSA-N 1 0 385.559 2.790 20 0 GFADRO OC[C@]1([NH2+]Cc2ccc(Br)cn2)CCCN(Cc2ccccc2)C1 ZINC000604769821 565936268 /nfs/dbraw/zinc/93/62/68/565936268.db2.gz VZZLWVFBGLMOFV-IBGZPJMESA-N 1 0 390.325 2.961 20 0 GFADRO CSc1cc(NC(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)ccc1C ZINC000652615428 565936323 /nfs/dbraw/zinc/93/63/23/565936323.db2.gz DXBXHVISTRJQAT-CQSZACIVSA-N 1 0 376.448 2.675 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1CCNc1cccc(OC(F)(F)F)c1S(N)(=O)=O ZINC000631061441 565937046 /nfs/dbraw/zinc/93/70/46/565937046.db2.gz UQLRQMZHVGGZOZ-LLVKDONJSA-N 1 0 381.420 2.519 20 0 GFADRO O=C(NCCC1CC[NH2+]CC1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000652644328 565937448 /nfs/dbraw/zinc/93/74/48/565937448.db2.gz ZFPQRSHPFQWUET-UHFFFAOYSA-N 1 0 377.794 2.803 20 0 GFADRO NS(=O)(=O)c1cc(C[NH2+]C2(c3ccccc3)CCOCC2)ccc1Cl ZINC000631080633 565938645 /nfs/dbraw/zinc/93/86/45/565938645.db2.gz TUVODKWOPDXAFN-UHFFFAOYSA-N 1 0 380.897 2.783 20 0 GFADRO O=C(c1ccc(-n2ccnc2)nn1)N1CCc2sc(Br)cc2C1 ZINC000676457510 565938914 /nfs/dbraw/zinc/93/89/14/565938914.db2.gz ZQRFOUIQJKWHNH-UHFFFAOYSA-N 1 0 390.266 2.685 20 0 GFADRO COCc1nc2n(n1)C[C@H]([NH2+]Cc1cccc(Br)c1Cl)CC2 ZINC000631089714 565939548 /nfs/dbraw/zinc/93/95/48/565939548.db2.gz XTERPHZKHWMHJH-LLVKDONJSA-N 1 0 385.693 2.945 20 0 GFADRO COc1cncc(C[NH2+]C[C@H](O)COc2ccccc2Br)c1C ZINC000631090838 565939746 /nfs/dbraw/zinc/93/97/46/565939746.db2.gz IMEYLMWBTROTFB-AWEZNQCLSA-N 1 0 381.270 2.691 20 0 GFADRO O=S1(=O)CC[C@@]2(C1)C[C@H]([NH2+]Cc1ccccc1CC(F)(F)F)CCO2 ZINC000631108784 565940945 /nfs/dbraw/zinc/94/09/45/565940945.db2.gz SJLWQNMLINGNEQ-CVEARBPZSA-N 1 0 377.428 2.617 20 0 GFADRO O=S(=O)(C[C@@H](O)C[NH2+]Cc1ccccc1CC(F)(F)F)c1cccs1 ZINC000631098826 565941965 /nfs/dbraw/zinc/94/19/65/565941965.db2.gz DJJUZFKGCUPPER-AWEZNQCLSA-N 1 0 393.452 2.777 20 0 GFADRO NS(=O)(=O)c1cc(C[NH2+]CCc2ccccc2OC(F)F)ccc1Cl ZINC000631118621 565942468 /nfs/dbraw/zinc/94/24/68/565942468.db2.gz BORPSUBNHLFTKF-UHFFFAOYSA-N 1 0 390.839 2.921 20 0 GFADRO NS(=O)(=O)c1cc(C[NH2+][C@H]2CCO[C@H](c3ccccc3)C2)ccc1Cl ZINC000631113972 565943396 /nfs/dbraw/zinc/94/33/96/565943396.db2.gz TYEDMEFSJCZMEX-RDJZCZTQSA-N 1 0 380.897 2.997 20 0 GFADRO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)CNC(=O)c1ccc(Cl)cc1Cl ZINC000605024959 565944037 /nfs/dbraw/zinc/94/40/37/565944037.db2.gz GVTNHUNCODUBBK-TZMCWYRMSA-N 1 0 384.307 2.808 20 0 GFADRO COCC[N@@H+]1CCN(C(=O)c2cc(Br)cc3nc[nH]c32)C(C)(C)C1 ZINC000652926913 565947213 /nfs/dbraw/zinc/94/72/13/565947213.db2.gz RDUNZFCCCZRBKX-UHFFFAOYSA-N 1 0 395.301 2.508 20 0 GFADRO COc1ccc(C[NH2+]C[C@H](n2cncn2)C(F)(F)F)cc1Br ZINC000631211574 565948257 /nfs/dbraw/zinc/94/82/57/565948257.db2.gz DWLTUYJGMUSWIP-LBPRGKRZSA-N 1 0 379.180 2.942 20 0 GFADRO FC(F)(F)[C@H](C[NH2+]Cc1cc2c(c(Br)c1)OCO2)n1cncn1 ZINC000631214557 565949450 /nfs/dbraw/zinc/94/94/50/565949450.db2.gz YIAIURVZHATWKQ-NSHDSACASA-N 1 0 393.163 2.663 20 0 GFADRO C[C@H](CNC(=O)c1oc2ccccc2c1Br)C[NH+]1CCN(C)CC1 ZINC000631277472 565952695 /nfs/dbraw/zinc/95/26/95/565952695.db2.gz XLMYUALRBFNYQX-CYBMUJFWSA-N 1 0 394.313 2.809 20 0 GFADRO C[C@H](NC(=O)[C@H]1CC[C@@H](C2CC2)[NH2+]1)c1cc2c(cc1Br)OCCO2 ZINC000653074868 565952966 /nfs/dbraw/zinc/95/29/66/565952966.db2.gz YMVFKFKJEBRWEJ-NZVBXONLSA-N 1 0 395.297 2.928 20 0 GFADRO C[NH+](C)CC[C@H](N)C(=O)Nc1nc(-c2cccc(Br)c2)cs1 ZINC000653057875 565953100 /nfs/dbraw/zinc/95/31/00/565953100.db2.gz UNFWMQIWXBFETK-LBPRGKRZSA-N 1 0 383.315 2.790 20 0 GFADRO COc1cc(CNC(=O)[C@@H]2CC[C@@H](C3CC3)[NH2+]2)cc(Br)c1OC ZINC000653083333 565953958 /nfs/dbraw/zinc/95/39/58/565953958.db2.gz VXBOMITZTGNNSF-KBPBESRZSA-N 1 0 383.286 2.613 20 0 GFADRO C[C@@H]1Cc2cc(S(=O)(=O)N3CCC[C@@H]3C[NH+]3CCCC3)cc(Cl)c2O1 ZINC000605582925 565954825 /nfs/dbraw/zinc/95/48/25/565954825.db2.gz HHWRWZNXYMHOKP-UKRRQHHQSA-N 1 0 384.929 2.912 20 0 GFADRO O=S(=O)(NCC[NH2+]C[C@@H]1CCOc2ccccc21)c1ccc(Cl)s1 ZINC000676905535 565955678 /nfs/dbraw/zinc/95/56/78/565955678.db2.gz WKOAZXAFCPMBAJ-LBPRGKRZSA-N 1 0 386.926 2.836 20 0 GFADRO O=C([C@H]1CC[C@@H](C2CC2)[NH2+]1)N1CCN(Cc2ccc(Br)s2)CC1 ZINC000653105844 565955663 /nfs/dbraw/zinc/95/56/63/565955663.db2.gz LUYYBTWDDGHFRM-LSDHHAIUSA-N 1 0 398.370 2.685 20 0 GFADRO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCN(C(=O)Cc3ccc(Br)cc3)C2)C1 ZINC000653190747 565958257 /nfs/dbraw/zinc/95/82/57/565958257.db2.gz NWDYCJHBKFUZDI-USXIJHARSA-N 1 0 381.314 2.737 20 0 GFADRO COc1cc(C(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)cc(OC)c1Br ZINC000653197105 565959144 /nfs/dbraw/zinc/95/91/44/565959144.db2.gz OWTHZCHKACCQCK-SJCJKPOMSA-N 1 0 383.286 2.667 20 0 GFADRO C[C@H]1CCCN(C(=O)c2c3ccc(Br)cc3nn2C)[C@@H]1CC[NH3+] ZINC000653243783 565959341 /nfs/dbraw/zinc/95/93/41/565959341.db2.gz MYLZLMBMXZUVNQ-XHDPSFHLSA-N 1 0 379.302 2.925 20 0 GFADRO [NH3+]CC1(CCNC(=O)[C@H]2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000653217693 565959457 /nfs/dbraw/zinc/95/94/57/565959457.db2.gz BLUIOOCTYUGGFX-OAHLLOKOSA-N 1 0 384.307 2.843 20 0 GFADRO CCO[C@@H]1CN(C(=O)c2cc3c(cc(Br)cc3F)[nH]2)C[C@H]1C[NH3+] ZINC000653249139 565960483 /nfs/dbraw/zinc/96/04/83/565960483.db2.gz QCXCJNDPHONCAE-RFAUZJTJSA-N 1 0 384.249 2.505 20 0 GFADRO O=C1C[C@H]([NH2+]C2CCOCC2)C(=O)N1c1ccc(Cl)c(C(F)(F)F)c1 ZINC000653283943 565961080 /nfs/dbraw/zinc/96/10/80/565961080.db2.gz UCKCYTZYPOBROZ-ZDUSSCGKSA-N 1 0 376.762 2.759 20 0 GFADRO C[C@H]1CC[N@H+](C)CCN1C(=O)c1cc(=O)[nH]c2ccc(Br)cc21 ZINC000606372066 565961934 /nfs/dbraw/zinc/96/19/34/565961934.db2.gz UMKLMXKRDZDCLY-NSHDSACASA-N 1 0 378.270 2.869 20 0 GFADRO CC[NH+](CC)[C@H]1CCN(C(=O)c2ccc3cncc(Br)c3n2)C1 ZINC000631557946 565962015 /nfs/dbraw/zinc/96/20/15/565962015.db2.gz SMZYJBOAUPMMDF-ZDUSSCGKSA-N 1 0 377.286 2.949 20 0 GFADRO C[NH+](C)[C@]1(CNC(=O)c2ccc3cncc(Br)c3n2)CCSC1 ZINC000631615531 565963809 /nfs/dbraw/zinc/96/38/09/565963809.db2.gz GJNIBVBAZWEPNC-INIZCTEOSA-N 1 0 395.326 2.559 20 0 GFADRO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCN(C(=O)c3ccc(Br)c(O)c3)C2)C1 ZINC000653348509 565964473 /nfs/dbraw/zinc/96/44/73/565964473.db2.gz JHGGURFMKWRDMP-WOSRLPQWSA-N 1 0 383.286 2.513 20 0 GFADRO CNS(=O)(=O)CCC[NH2+][C@H]1CCCc2nc(-c3ccc(F)cc3)sc21 ZINC000631711211 565969616 /nfs/dbraw/zinc/96/96/16/565969616.db2.gz RJOWCJFPRXRVPD-AWEZNQCLSA-N 1 0 383.514 2.856 20 0 GFADRO C[C@@H](CNS(=O)(=O)Cc1ncsc1Br)[N@@H+]1CCCC[C@H]1C ZINC000631743678 565970965 /nfs/dbraw/zinc/97/09/65/565970965.db2.gz ZHFJRMXSDWVJQN-MNOVXSKESA-N 1 0 396.376 2.588 20 0 GFADRO CS(=O)(=O)N[C@@H]1CCC[N@@H+]([C@@H](c2ccc(Cl)cc2)C2CCOCC2)C1 ZINC000653535252 565971766 /nfs/dbraw/zinc/97/17/66/565971766.db2.gz MGLBTYUATQMIDB-MSOLQXFVSA-N 1 0 386.945 2.821 20 0 GFADRO O=S(=O)(c1csc(-c2ccccc2)n1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000606908769 565974464 /nfs/dbraw/zinc/97/44/64/565974464.db2.gz XGKGNALCIXNTJI-HNNXBMFYSA-N 1 0 377.535 2.917 20 0 GFADRO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)N1CCO[C@H](C(F)(F)F)C1 ZINC000606966089 565975658 /nfs/dbraw/zinc/97/56/58/565975658.db2.gz KAHXIVHEIDBHME-OCCSQVGLSA-N 1 0 377.432 2.858 20 0 GFADRO C[C@@H](NC(=O)Nc1cc(N(C)C)c(Br)cn1)C1CC[NH+](C)CC1 ZINC000653653612 565976244 /nfs/dbraw/zinc/97/62/44/565976244.db2.gz VCGJKALCUKDFPG-LLVKDONJSA-N 1 0 384.322 2.762 20 0 GFADRO CCOc1cc(C[N@H+](C)CC[C@@H]2CCS(=O)(=O)C2)ccc1OC(F)F ZINC000677675351 565980891 /nfs/dbraw/zinc/98/08/91/565980891.db2.gz DSIYEVKNVSXZGH-CYBMUJFWSA-N 1 0 377.453 2.943 20 0 GFADRO CN(Cc1ccccc1Br)C(=O)C[NH+]1CCC2(CCOC2)CC1 ZINC000677718971 565982097 /nfs/dbraw/zinc/98/20/97/565982097.db2.gz LHFCMXXRITYDRU-UHFFFAOYSA-N 1 0 381.314 2.910 20 0 GFADRO C[C@@H](c1cccc(C(F)(F)F)c1)N(C)S(=O)(=O)N(C)C1CC[NH2+]CC1 ZINC000631915265 565983610 /nfs/dbraw/zinc/98/36/10/565983610.db2.gz HUAQVSAORFFBLH-LBPRGKRZSA-N 1 0 379.448 2.627 20 0 GFADRO Cn1cnnc1N1CC[NH+](CC/C=C/c2ccc(Br)cc2)CC1 ZINC000653819175 565983700 /nfs/dbraw/zinc/98/37/00/565983700.db2.gz QLUDQTYYPSJSHX-DUXPYHPUSA-N 1 0 376.302 2.803 20 0 GFADRO Cc1nc(-c2cccs2)c(CC(=O)NCCN2C[C@H]3CC[C@@H](C2)O3)s1 ZINC000653869625 565985826 /nfs/dbraw/zinc/98/58/26/565985826.db2.gz KHFLQEPSJBJPLR-OKILXGFUSA-N 1 0 377.535 2.702 20 0 GFADRO CC1(C)C[NH2+]CC[C@@H](NS(=O)(=O)Cc2ccc(Br)cc2)C1 ZINC000631978001 565987835 /nfs/dbraw/zinc/98/78/35/565987835.db2.gz YTJBQRAQDCKVFI-CQSZACIVSA-N 1 0 375.332 2.647 20 0 GFADRO CCn1ccnc1[C@H](C)NC(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000654004916 565989450 /nfs/dbraw/zinc/98/94/50/565989450.db2.gz REFXELHGGPOPBC-LBPRGKRZSA-N 1 0 381.885 2.740 20 0 GFADRO CS(=O)(=O)c1csc(C(=O)N2CCC(C[NH+]3CCCCCC3)CC2)c1 ZINC000678077175 565997331 /nfs/dbraw/zinc/99/73/31/565997331.db2.gz KNFMCYXHZFMBCB-UHFFFAOYSA-N 1 0 384.567 2.880 20 0 GFADRO CN(C)c1ncc(Br)cc1C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000654311064 566004896 /nfs/dbraw/zinc/00/48/96/566004896.db2.gz NAPLVEJENURYKW-CABCVRRESA-N 1 0 381.318 2.657 20 0 GFADRO C[N@H+](Cc1c(Cl)cccc1OC(F)F)C1CCN(S(C)(=O)=O)CC1 ZINC000678337273 566007777 /nfs/dbraw/zinc/00/77/77/566007777.db2.gz SJBSOEXNSKASCM-UHFFFAOYSA-N 1 0 382.860 2.797 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)c(C)c1CN1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000678343286 566008976 /nfs/dbraw/zinc/00/89/76/566008976.db2.gz OZYQXARKVLAZLC-HUUCEWRRSA-N 1 0 375.314 2.903 20 0 GFADRO Cn1ccc(N2CCC[C@H]([NH2+][C@H]3CCc4cc(Br)ccc43)C2=O)n1 ZINC000608372772 566011770 /nfs/dbraw/zinc/01/17/70/566011770.db2.gz UEKPNHQLJNKKKO-HOTGVXAUSA-N 1 0 389.297 2.955 20 0 GFADRO Cc1ccc(NC(=O)C[NH2+][C@H](C(=O)N2CCCC2)C(C)C)c(Br)c1 ZINC000678776348 566020783 /nfs/dbraw/zinc/02/07/83/566020783.db2.gz HPSRSIKIVUPDAX-KRWDZBQOSA-N 1 0 396.329 2.933 20 0 GFADRO CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc(F)c(Br)c1 ZINC000632407860 566029722 /nfs/dbraw/zinc/02/97/22/566029722.db2.gz JFVXPXXDZANNHV-UHFFFAOYSA-N 1 0 379.295 2.693 20 0 GFADRO C[C@H](CC(=O)N1CC[NH+](C(C)(C)CO)CC1)c1ccc(Br)cc1 ZINC000679318434 566036327 /nfs/dbraw/zinc/03/63/27/566036327.db2.gz VMBCVXHCFMVHEL-CQSZACIVSA-N 1 0 383.330 2.858 20 0 GFADRO CO[C@H](C(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1)c1ccccc1Br ZINC000655030038 566036366 /nfs/dbraw/zinc/03/63/66/566036366.db2.gz BYQVPUDLQNHMSP-YOEHRIQHSA-N 1 0 399.329 2.754 20 0 GFADRO C[C@@H]1COCCN1CC[NH2+][C@H](c1ccc(Br)cc1)[C@@H]1CCCO1 ZINC000679339397 566038191 /nfs/dbraw/zinc/03/81/91/566038191.db2.gz JGFFSEXICKXDLJ-FHLIZLRMSA-N 1 0 383.330 2.980 20 0 GFADRO O=C(NCC1([NH+]2CCSCC2)CCCC1)N1CCC[C@H](OC(F)F)C1 ZINC000679684796 566049409 /nfs/dbraw/zinc/04/94/09/566049409.db2.gz PIWAJIMBSURJOT-AWEZNQCLSA-N 1 0 377.501 2.761 20 0 GFADRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C1 ZINC000655247097 566049572 /nfs/dbraw/zinc/04/95/72/566049572.db2.gz SDFFORQKOBUSBN-YUTCNCBUSA-N 1 0 384.307 2.803 20 0 GFADRO O=C(c1cccn1-c1c(Cl)cccc1Cl)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000655295011 566050468 /nfs/dbraw/zinc/05/04/68/566050468.db2.gz ONLNFZHVIUSBBE-QWHCGFSZSA-N 1 0 380.275 2.675 20 0 GFADRO O=C(N[C@H](CCO)c1ccccc1Br)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000679782268 566053157 /nfs/dbraw/zinc/05/31/57/566053157.db2.gz WVAYDUBUEGXJKI-RHSMWYFYSA-N 1 0 396.329 2.656 20 0 GFADRO O=C(NC1(c2ccc(Br)cc2)CCOCC1)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC000655429317 566055765 /nfs/dbraw/zinc/05/57/65/566055765.db2.gz QODOQGWHWIXPRX-SJLPKXTDSA-N 1 0 393.325 2.961 20 0 GFADRO O=C([C@@H]1C[C@]12CCC[NH2+]C2)N1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000655429606 566055939 /nfs/dbraw/zinc/05/59/39/566055939.db2.gz DZIBHYUDCQYRCN-JZXOWHBKSA-N 1 0 379.298 2.739 20 0 GFADRO COCC[N@@H+]1CCC[C@H](NC(=O)CCc2ccc(Br)cc2OC)C1 ZINC000679886812 566056522 /nfs/dbraw/zinc/05/65/22/566056522.db2.gz FIRLJXWXRBXDNU-INIZCTEOSA-N 1 0 399.329 2.617 20 0 GFADRO COCCOc1ccc(Br)cc1NC(=O)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000655468285 566058855 /nfs/dbraw/zinc/05/88/55/566058855.db2.gz YWYOJAIUYYCHCZ-GUYCJALGSA-N 1 0 383.286 2.803 20 0 GFADRO O[C@@H](COc1ccc(Br)cc1)C[NH+]1CCC([C@H]2CCOC2)CC1 ZINC000680088243 566060788 /nfs/dbraw/zinc/06/07/88/566060788.db2.gz UAVRJGNIRYGKGY-DOTOQJQBSA-N 1 0 384.314 2.937 20 0 GFADRO CCO[C@H]1C[C@]([NH3+])(C(=O)N2CCOc3cccc(Br)c3C2)C1(C)C ZINC000655502985 566060796 /nfs/dbraw/zinc/06/07/96/566060796.db2.gz ACADHVDVKOETTD-YJBOKZPZSA-N 1 0 397.313 2.703 20 0 GFADRO Cc1nc(COc2ccc(F)cc2)sc1C(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000655513987 566062644 /nfs/dbraw/zinc/06/26/44/566062644.db2.gz JUTGJHJWJKZIMQ-NSHDSACASA-N 1 0 377.363 2.789 20 0 GFADRO Cc1c(Br)cccc1CS(=O)(=O)N[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000655537852 566064961 /nfs/dbraw/zinc/06/49/61/566064961.db2.gz ZUWFWYWRVIYNNR-BZNIZROVSA-N 1 0 387.343 2.660 20 0 GFADRO C[NH+](C)C[C@@]1(O)CCCN(C(=O)c2oc3ccccc3c2Br)C1 ZINC000632773817 566066887 /nfs/dbraw/zinc/06/68/87/566066887.db2.gz VIOHWDCHJVYINA-KRWDZBQOSA-N 1 0 381.270 2.724 20 0 GFADRO CN(C)c1cc[nH+]c(NC(=O)Cc2cc3c(cc2Br)OCCO3)c1 ZINC000680335386 566067837 /nfs/dbraw/zinc/06/78/37/566067837.db2.gz UCHOZFNRTICRLU-UHFFFAOYSA-N 1 0 392.253 2.863 20 0 GFADRO CNC(=O)c1cccc(NC(=O)N[C@H]2CC[NH2+]CC(C)(C)C2)c1Br ZINC000632945910 566076160 /nfs/dbraw/zinc/07/61/60/566076160.db2.gz JBGWHQXVNUUUBN-NSHDSACASA-N 1 0 397.317 2.708 20 0 GFADRO COC(=O)c1cc(NC(=O)NC2CC[NH+](C)CC2)c(Br)cc1F ZINC000610327298 566077738 /nfs/dbraw/zinc/07/77/38/566077738.db2.gz KBUOWSSIFXZWDF-UHFFFAOYSA-N 1 0 388.237 2.591 20 0 GFADRO CC[NH+]1CCC(NC(=O)N[C@@H]2[C@@H]3Cc4c(cccc4Br)[C@@H]32)CC1 ZINC000633074276 566082571 /nfs/dbraw/zinc/08/25/71/566082571.db2.gz OENDLLXHDIHNCF-HYVNUMGLSA-N 1 0 378.314 2.871 20 0 GFADRO CN1CC[NH+]([C@H]2CC[C@@H](NC(=O)c3cc(Br)ccc3F)CC2)CC1 ZINC000680841541 566084059 /nfs/dbraw/zinc/08/40/59/566084059.db2.gz GAULXYRQDCMGGM-GASCZTMLSA-N 1 0 398.320 2.877 20 0 GFADRO O[C@H]1CCC[C@@H]1[NH+]1CCN(c2ncnc3cc(F)c(Br)cc32)CC1 ZINC000680829158 566084327 /nfs/dbraw/zinc/08/43/27/566084327.db2.gz ZSVIGSCXALACGO-HOTGVXAUSA-N 1 0 395.276 2.567 20 0 GFADRO Cc1nn(-c2ccccc2Br)cc1C[NH2+][C@H]1CC(=O)N(C2CC2)C1 ZINC000655742893 566085200 /nfs/dbraw/zinc/08/52/00/566085200.db2.gz BVSRZXRIJVNMJE-AWEZNQCLSA-N 1 0 389.297 2.796 20 0 GFADRO Cc1nn(-c2ccccc2Br)cc1C[NH2+]C[C@H](O)C1CCOCC1 ZINC000655745550 566085431 /nfs/dbraw/zinc/08/54/31/566085431.db2.gz WRWRSLHSNUALNA-SFHVURJKSA-N 1 0 394.313 2.820 20 0 GFADRO COC[C@@](C)(CCO)[NH2+]Cc1cn(-c2cccc(Br)c2)nc1C ZINC000655744514 566086103 /nfs/dbraw/zinc/08/61/03/566086103.db2.gz QPXOJPDXBCCGIF-QGZVFWFLSA-N 1 0 382.302 2.820 20 0 GFADRO Cc1cc(N2CC[C@@H]([NH2+]CCCc3cnn(C)c3)C2=O)ccc1Br ZINC000680881815 566086622 /nfs/dbraw/zinc/08/66/22/566086622.db2.gz IOGPMPNNOFHUIL-QGZVFWFLSA-N 1 0 391.313 2.819 20 0 GFADRO Cc1cc(C)c(Br)c(C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)c1 ZINC000680867844 566086744 /nfs/dbraw/zinc/08/67/44/566086744.db2.gz VGBHXQSWSJLHQN-INIZCTEOSA-N 1 0 394.357 2.918 20 0 GFADRO Cc1n[nH]c(CC[NH2+]Cc2cn(-c3ccccc3Br)nc2C)n1 ZINC000655756607 566087172 /nfs/dbraw/zinc/08/71/72/566087172.db2.gz HPLDBPGETCAMFQ-UHFFFAOYSA-N 1 0 375.274 2.702 20 0 GFADRO Cc1nn(-c2ccccc2Br)cc1C[NH2+]C[C@@H]1CCCNC1=O ZINC000655780609 566089214 /nfs/dbraw/zinc/08/92/14/566089214.db2.gz ZHHSVHGHPLYIEF-ZDUSSCGKSA-N 1 0 377.286 2.559 20 0 GFADRO Cc1nn(-c2ccccc2Br)cc1C[NH2+]CC[C@]1(O)CCOC1 ZINC000655799943 566090546 /nfs/dbraw/zinc/09/05/46/566090546.db2.gz RJQXUBXKNYDSOQ-KRWDZBQOSA-N 1 0 380.286 2.574 20 0 GFADRO CC[C@@H]([NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1)[C@@H]1CCCCO1 ZINC000655855450 566092883 /nfs/dbraw/zinc/09/28/83/566092883.db2.gz DTRAPLPSPYIWSZ-KGLIPLIRSA-N 1 0 391.331 2.534 20 0 GFADRO CN1CC[NH+](CCCCNC(=O)N2Cc3cccc(Br)c3C2)CC1 ZINC000681159698 566096087 /nfs/dbraw/zinc/09/60/87/566096087.db2.gz YNVZWIMFAAYFOT-UHFFFAOYSA-N 1 0 395.345 2.502 20 0 GFADRO [NH3+]C[C@H](NC(=O)NCc1cc2cc(Br)ccc2[nH]1)C(F)(F)F ZINC000655924746 566096853 /nfs/dbraw/zinc/09/68/53/566096853.db2.gz PVUGKQYIRVRNRR-NSHDSACASA-N 1 0 379.180 2.619 20 0 GFADRO CO[C@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000655920899 566097019 /nfs/dbraw/zinc/09/70/19/566097019.db2.gz JURFYNSLNDJHND-ZHAHWJHGSA-N 1 0 398.223 2.714 20 0 GFADRO CCC1([NH+](C)C)CCN(C(=O)NCc2cc(Br)cnc2OC)CC1 ZINC000633367899 566098923 /nfs/dbraw/zinc/09/89/23/566098923.db2.gz TVZGFLHSWMZRMW-UHFFFAOYSA-N 1 0 399.333 2.869 20 0 GFADRO Cc1c(Br)cccc1CS(=O)(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000655950529 566099149 /nfs/dbraw/zinc/09/91/49/566099149.db2.gz NBIOCHZPWTUWIQ-CHWSQXEVSA-N 1 0 375.332 2.565 20 0 GFADRO Cc1c(Br)cccc1CS(=O)(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000655952072 566099221 /nfs/dbraw/zinc/09/92/21/566099221.db2.gz HIHOBHWGFNTUAK-HNNXBMFYSA-N 1 0 375.332 2.694 20 0 GFADRO O=C(NCc1ccsc1C(F)(F)F)N1CC[NH+](C2CCOCC2)CC1 ZINC000633398261 566100826 /nfs/dbraw/zinc/10/08/26/566100826.db2.gz XKBJFWBSAYOEFW-UHFFFAOYSA-N 1 0 377.432 2.773 20 0 GFADRO C[C@@H]([NH2+]CCOC[C@H]1CCOC1)c1ccc(I)cc1 ZINC000610815053 566101312 /nfs/dbraw/zinc/10/13/12/566101312.db2.gz IBSDIEBVMGBICE-OLZOCXBDSA-N 1 0 375.250 2.995 20 0 GFADRO CC[C@H]([NH2+]C[C@H]1CN(C)CCN1C)c1ccc(I)cc1 ZINC000610815019 566101672 /nfs/dbraw/zinc/10/16/72/566101672.db2.gz IXKNGSDYQYDGEU-HOTGVXAUSA-N 1 0 387.309 2.578 20 0 GFADRO [NH3+]CC[C@@H]1CCCN(C(=O)C(=O)NCCCc2c(Cl)cccc2Cl)C1 ZINC000656030493 566101999 /nfs/dbraw/zinc/10/19/99/566101999.db2.gz UKXKNXXVMOODTK-ZDUSSCGKSA-N 1 0 386.323 2.630 20 0 GFADRO C[C@@H]([NH3+])C1CCN(C(=O)C(=O)NCCCc2c(Cl)cccc2Cl)CC1 ZINC000656030845 566102170 /nfs/dbraw/zinc/10/21/70/566102170.db2.gz YWDDJUWPTYDNEQ-GFCCVEGCSA-N 1 0 386.323 2.628 20 0 GFADRO C[C@H](C[NH2+]C[C@H](O)COc1ccc(Cl)c(Cl)c1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656153306 566106565 /nfs/dbraw/zinc/10/65/65/566106565.db2.gz OHFKSXJNUAIMEE-KBXIAJHMSA-N 1 0 391.339 2.820 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)c2cc(Br)c3nccn3c2)C1 ZINC000633604606 566111466 /nfs/dbraw/zinc/11/14/66/566111466.db2.gz JDHOSQILDLMMID-GFCCVEGCSA-N 1 0 379.302 2.947 20 0 GFADRO Cc1nn(-c2ccccc2Br)cc1CN1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000656257915 566118628 /nfs/dbraw/zinc/11/86/28/566118628.db2.gz MGEXNVHUJQWQHF-IYBDPMFKSA-N 1 0 375.314 2.937 20 0 GFADRO COc1ccc(S(=O)(=O)N2C[C@@H](SC)[C@H]([NH+](C)C)C2)c2ccccc12 ZINC000611184509 566119928 /nfs/dbraw/zinc/11/99/28/566119928.db2.gz PVKWPGLFFFIVNF-NVXWUHKLSA-N 1 0 380.535 2.515 20 0 GFADRO Cc1nn(-c2ccccc2Br)cc1C[N@H+]1CC[C@@H](C(=O)N(C)C)C1 ZINC000656263223 566121048 /nfs/dbraw/zinc/12/10/48/566121048.db2.gz DZYVJHBVQDLUIP-CQSZACIVSA-N 1 0 391.313 2.853 20 0 GFADRO COc1ccccc1-c1nc(C(=O)N2C[C@@H](SC)[C@H]([NH+](C)C)C2)cs1 ZINC000611217608 566121801 /nfs/dbraw/zinc/12/18/01/566121801.db2.gz ZBHBESZMQRKSBZ-GDBMZVCRSA-N 1 0 377.535 2.936 20 0 GFADRO C[C@H](NC(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)c1cc(F)c(Cl)cc1Cl ZINC000656286102 566122060 /nfs/dbraw/zinc/12/20/60/566122060.db2.gz KXHQKKSIATTXLJ-GARJFASQSA-N 1 0 390.286 2.766 20 0 GFADRO CN(Cc1ccc(Br)cc1F)C(=O)c1cnn(CC[NH+](C)C)c1 ZINC000633757033 566122076 /nfs/dbraw/zinc/12/20/76/566122076.db2.gz IPCREEPTZWPMSO-UHFFFAOYSA-N 1 0 383.265 2.619 20 0 GFADRO Cn1cc([C@H]2OCCC[C@@H]2[NH2+]Cc2cnc3ccc(Br)cn23)cn1 ZINC000681915719 566134243 /nfs/dbraw/zinc/13/42/43/566134243.db2.gz AMMLYBYXBRCLBB-DOTOQJQBSA-N 1 0 390.285 2.840 20 0 GFADRO O=C(c1cnc2ncc(Br)cc2c1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000681983558 566136662 /nfs/dbraw/zinc/13/66/62/566136662.db2.gz OFOVIDILUMHTKZ-HNNXBMFYSA-N 1 0 375.270 2.703 20 0 GFADRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)c1cnc2ncc(Br)cc2c1 ZINC000681999071 566137279 /nfs/dbraw/zinc/13/72/79/566137279.db2.gz ZVZCBQVBKHUTFI-GFCCVEGCSA-N 1 0 377.286 2.806 20 0 GFADRO CC1(C)CN(C(=O)CCOc2cccc(Cl)c2Cl)CC[N@@H+]1CCO ZINC000682005981 566138401 /nfs/dbraw/zinc/13/84/01/566138401.db2.gz JBZPHJYAZZXFJJ-UHFFFAOYSA-N 1 0 375.296 2.677 20 0 GFADRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C[C@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000682030822 566140746 /nfs/dbraw/zinc/14/07/46/566140746.db2.gz CESVGVGAUIGUIJ-KGLIPLIRSA-N 1 0 391.339 2.510 20 0 GFADRO Cc1ccc(CN2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)cc1Br ZINC000682085472 566143304 /nfs/dbraw/zinc/14/33/04/566143304.db2.gz GOVBRZHGYKDIFB-KRWDZBQOSA-N 1 0 380.330 2.672 20 0 GFADRO C[C@@](CO)([NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1)c1ccccc1 ZINC000682219395 566148461 /nfs/dbraw/zinc/14/84/61/566148461.db2.gz XMTXSJAKMFJDIP-AEFFLSMTSA-N 1 0 398.272 2.825 20 0 GFADRO CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)Nc1cc(Cl)c(OC)c(Cl)c1 ZINC000682273951 566148793 /nfs/dbraw/zinc/14/87/93/566148793.db2.gz UXWLFKCMHZVVKY-LLVKDONJSA-N 1 0 388.295 2.931 20 0 GFADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)Nc1ccc(Br)c(F)c1 ZINC000682271965 566148868 /nfs/dbraw/zinc/14/88/68/566148868.db2.gz DLZXCXRKFOXPSD-NSHDSACASA-N 1 0 386.265 2.517 20 0 GFADRO C[C@@H]([NH3+])[C@@H](C)C(=O)NC1CCN(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000634299472 566151072 /nfs/dbraw/zinc/15/10/72/566151072.db2.gz SAODKFDOPAQBSG-VXGBXAGGSA-N 1 0 397.317 2.545 20 0 GFADRO O=C(NCC[NH2+][C@H]1CCc2ccc(F)cc21)c1ccc(Br)cn1 ZINC000656680749 566154278 /nfs/dbraw/zinc/15/42/78/566154278.db2.gz ZPXSFMWLLDILKO-HNNXBMFYSA-N 1 0 378.245 2.990 20 0 GFADRO O=S1(=O)CC(CC[NH2+]Cc2csc(COc3ccc(Cl)cc3)n2)C1 ZINC000682473158 566156193 /nfs/dbraw/zinc/15/61/93/566156193.db2.gz GGEIHZHYTYDNAI-UHFFFAOYSA-N 1 0 386.926 2.900 20 0 GFADRO C[NH+]1CCC(n2cc(N[C@@H](C(N)=O)c3cccc(Br)c3)cn2)CC1 ZINC000634578097 566160642 /nfs/dbraw/zinc/16/06/42/566160642.db2.gz YWTPXPMIOJGUIX-MRXNPFEDSA-N 1 0 392.301 2.551 20 0 GFADRO C[C@@H](CNC(=O)C(=O)NCc1ccc(Cl)c(Cl)c1)[N@@H+]1CCC[C@H](C)C1 ZINC000612416866 566161335 /nfs/dbraw/zinc/16/13/35/566161335.db2.gz UTCGZJYGEYSFRT-STQMWFEESA-N 1 0 386.323 2.846 20 0 GFADRO Cc1nc(-c2ccc(CC[NH2+]C[C@H](O)CC3(O)CCOCC3)s2)cs1 ZINC000634639216 566162101 /nfs/dbraw/zinc/16/21/01/566162101.db2.gz FAFYPKSKGDQYQH-CQSZACIVSA-N 1 0 382.551 2.605 20 0 GFADRO C[C@](O)(C[C@@H](O)C[NH2+][C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)C1CC1 ZINC000634709913 566170441 /nfs/dbraw/zinc/17/04/41/566170441.db2.gz PYTNXXQQLLNPOW-SKDZVZGDSA-N 1 0 387.307 2.600 20 0 GFADRO O[C@@H](C[NH2+]CCCOC1CCOCC1)COc1cc(Cl)cc(Cl)c1 ZINC000634705685 566170892 /nfs/dbraw/zinc/17/08/92/566170892.db2.gz DUHUSJRXMQJJSY-HNNXBMFYSA-N 1 0 378.296 2.908 20 0 GFADRO O[C@@H](C[NH2+]CCCOc1ccc(Cl)cc1Cl)CC1(O)CCOCC1 ZINC000634700820 566171253 /nfs/dbraw/zinc/17/12/53/566171253.db2.gz FYEJDUHJKQYYKD-CQSZACIVSA-N 1 0 378.296 2.644 20 0 GFADRO CC(C)(C[NH2+]C[C@@H](O)CC1(O)CCOCC1)c1cccc(Br)c1 ZINC000634702515 566171455 /nfs/dbraw/zinc/17/14/55/566171455.db2.gz IAPVOXUPTWBNSS-INIZCTEOSA-N 1 0 386.330 2.609 20 0 GFADRO OCC[C@@H]([NH2+]C[C@H](O)COc1cc(Cl)cc(Cl)c1)C1CCOCC1 ZINC000634720773 566171968 /nfs/dbraw/zinc/17/19/68/566171968.db2.gz OYVSFPSQRGLVQF-DOTOQJQBSA-N 1 0 378.296 2.500 20 0 GFADRO CC(C)(COc1ncccc1Br)NC(=O)[C@H]1CCc2nc[nH]c2C1 ZINC000612715549 566172268 /nfs/dbraw/zinc/17/22/68/566172268.db2.gz BPVXANJKGPICQU-NSHDSACASA-N 1 0 393.285 2.646 20 0 GFADRO NC(=O)Cc1ccc(C[NH2+]C[C@@H](O)COc2cc(Cl)cc(Cl)c2)cc1 ZINC000634714749 566172234 /nfs/dbraw/zinc/17/22/34/566172234.db2.gz QIRHZBMZCVKPOX-MRXNPFEDSA-N 1 0 383.275 2.551 20 0 GFADRO C[C@H]1CCCC[N@@H+]1CCNS(=O)(=O)Cc1cc(F)ccc1Br ZINC000656875735 566173717 /nfs/dbraw/zinc/17/37/17/566173717.db2.gz BPYBRILNJMDIFE-LBPRGKRZSA-N 1 0 393.322 2.882 20 0 GFADRO Cn1ncc(Br)c1C[NH2+]C[C@@H](O)CO[C@@H]1CCCc2ccccc21 ZINC000634726023 566173825 /nfs/dbraw/zinc/17/38/25/566173825.db2.gz JQCWSQCFGLQCOM-RDTXWAMCSA-N 1 0 394.313 2.727 20 0 GFADRO C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)[C@@H]1[C@@H]3Cc4c(cccc4Br)[C@@H]31)C2 ZINC000634740788 566174468 /nfs/dbraw/zinc/17/44/68/566174468.db2.gz INCODHKDVNDECJ-OYMYKWPDSA-N 1 0 375.310 2.793 20 0 GFADRO O=C(N[C@H](c1cncc(Br)c1)C1CC1)N[C@@H]1CC12CC[NH2+]CC2 ZINC000612988014 566181512 /nfs/dbraw/zinc/18/15/12/566181512.db2.gz BCVSGQASMHEBNZ-CABCVRRESA-N 1 0 379.302 2.737 20 0 GFADRO C[C@@H]1C[C@H](N(C)S(=O)(=O)Cc2cc(F)ccc2Br)CC[N@@H+]1C ZINC000656917175 566183383 /nfs/dbraw/zinc/18/33/83/566183383.db2.gz YDPBLGDFZBINGT-BXUZGUMPSA-N 1 0 393.322 2.833 20 0 GFADRO O=C1CC[C@@H]([NH2+]CC2(c3ccc(Br)cc3)CCOCC2)CCN1 ZINC000634958205 566185966 /nfs/dbraw/zinc/18/59/66/566185966.db2.gz JIGCKFITEWTNJJ-MRXNPFEDSA-N 1 0 381.314 2.756 20 0 GFADRO COc1cc(Br)c2nc(N3CC[C@H]([NH+]4CCCC4)C3)nc(N)c2c1 ZINC000683185394 566187841 /nfs/dbraw/zinc/18/78/41/566187841.db2.gz NRLANIOTODRTLP-NSHDSACASA-N 1 0 392.301 2.658 20 0 GFADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2cscc2Cl)[C@@H](C)C1 ZINC000635056414 566191756 /nfs/dbraw/zinc/19/17/56/566191756.db2.gz PRJUBFMASCYVCK-JSGCOSHPSA-N 1 0 387.933 2.593 20 0 GFADRO CCc1nn(C)cc1C[NH2+][C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000683340233 566194828 /nfs/dbraw/zinc/19/48/28/566194828.db2.gz FOUDFXCMUKDTMD-INIZCTEOSA-N 1 0 377.286 2.640 20 0 GFADRO CC[NH+](CC)CCOCCNC(=O)Cc1ccc(Br)cc1F ZINC000613478277 566199230 /nfs/dbraw/zinc/19/92/30/566199230.db2.gz ACNZFXHLTZIKRW-UHFFFAOYSA-N 1 0 375.282 2.605 20 0 GFADRO C[NH+](C)C[C@H]1CN(C(=O)c2cc[nH]c(=O)c2Br)c2ccccc2O1 ZINC000683625781 566206643 /nfs/dbraw/zinc/20/66/43/566206643.db2.gz PMFUAXJAPOYEML-NSHDSACASA-N 1 0 392.253 2.519 20 0 GFADRO COc1ccc(Br)cc1S(=O)(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000657057089 566214871 /nfs/dbraw/zinc/21/48/71/566214871.db2.gz CWCCGRWRTHMWCI-LBPRGKRZSA-N 1 0 391.331 2.609 20 0 GFADRO Cc1cc(Br)sc1S(=O)(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000657059557 566214885 /nfs/dbraw/zinc/21/48/85/566214885.db2.gz HZLZZPJBKLQWJH-SNVBAGLBSA-N 1 0 381.361 2.970 20 0 GFADRO COc1cc(S(=O)(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)ccc1Br ZINC000657060966 566215009 /nfs/dbraw/zinc/21/50/09/566215009.db2.gz KUDPBZVOOADKKT-NSHDSACASA-N 1 0 391.331 2.609 20 0 GFADRO C[NH+](C)C[C@]1(O)CCCN(C(=O)COc2cc(Cl)c(Cl)cc2Cl)C1 ZINC000683911309 566218764 /nfs/dbraw/zinc/21/87/64/566218764.db2.gz AUJTVUFIVROPHC-MRXNPFEDSA-N 1 0 395.714 2.941 20 0 GFADRO C[NH+](C)CCOC1CCN(C(=O)c2cc(F)c(Cl)c(N)c2Cl)CC1 ZINC000635556868 566218709 /nfs/dbraw/zinc/21/87/09/566218709.db2.gz LJYSLWRIGGZUQT-UHFFFAOYSA-N 1 0 378.275 2.898 20 0 GFADRO C[NH+]1CC2(C1)CCN(C(=O)c1cc(-c3ccc(Br)cc3)n[nH]1)C2 ZINC000684173018 566229589 /nfs/dbraw/zinc/22/95/89/566229589.db2.gz SIPYXVOKVRTGDQ-UHFFFAOYSA-N 1 0 375.270 2.617 20 0 GFADRO Brc1cccc(N2CC[C@H]([NH2+]C[C@@H]3CNc4ccnn4C3)C2)c1 ZINC000684199440 566229920 /nfs/dbraw/zinc/22/99/20/566229920.db2.gz OBVANRNZBLIHLE-HIFRSBDPSA-N 1 0 376.302 2.556 20 0 GFADRO Cc1nc2ccc(Br)cn2c1C(=O)N[C@@H](C)C1CC[NH+](C)CC1 ZINC000684441676 566236579 /nfs/dbraw/zinc/23/65/79/566236579.db2.gz LMFAZEVAQVDXLN-NSHDSACASA-N 1 0 379.302 2.865 20 0 GFADRO COC1(c2nc(C3CCOCC3)no2)CC[NH+](Cc2ccc(CO)cc2)CC1 ZINC000583615871 570800969 /nfs/dbraw/zinc/80/09/69/570800969.db2.gz HQUQQOJKUWRCCU-UHFFFAOYSA-N 1 0 387.480 2.594 20 0 GFADRO C[C@]1(c2ccccc2)CCC[N@H+](C[C@H](O)COc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000736227406 598833213 /nfs/dbraw/zinc/83/32/13/598833213.db2.gz DBYMBUUOXFODMV-UGKGYDQZSA-N 1 0 393.491 2.660 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(CCOc2ccccc2-c2nn[nH]n2)C1 ZINC000736265452 598870377 /nfs/dbraw/zinc/87/03/77/598870377.db2.gz AZNSURGMIVRIMY-MSOLQXFVSA-N 1 0 384.528 2.832 20 0 GFADRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)Nc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000736265871 598876756 /nfs/dbraw/zinc/87/67/56/598876756.db2.gz DQFJAVNQLSFILF-HOTGVXAUSA-N 1 0 383.500 2.985 20 0 GFADRO c1ccc2cc(CC[NH+]3CCN(c4ncccc4-c4nn[nH]n4)CC3)ccc2c1 ZINC000738445445 598916313 /nfs/dbraw/zinc/91/63/13/598916313.db2.gz IVJVOJQJVYPGRP-UHFFFAOYSA-N 1 0 385.475 2.780 20 0 GFADRO Cc1ccc([C@H](C)[NH2+][C@H]2CCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)cc1C ZINC000737322597 598961698 /nfs/dbraw/zinc/96/16/98/598961698.db2.gz ZPMDQRVSGAIBBM-KXBFYZLASA-N 1 0 376.464 2.940 20 0 GFADRO CC[N@H+](CCOc1ccc(-c2nn[nH]n2)cc1OC)Cc1ccc2c(c1)OCO2 ZINC000736537531 598980583 /nfs/dbraw/zinc/98/05/83/598980583.db2.gz WBGOESDEAGSGBW-UHFFFAOYSA-N 1 0 397.435 2.505 20 0 GFADRO CC1CC[NH+]([C@@H](CNC(=O)c2ccc(-c3nn[nH]n3)nc2)c2cccs2)CC1 ZINC000736279136 598983238 /nfs/dbraw/zinc/98/32/38/598983238.db2.gz VRSWONKNZXGBCA-INIZCTEOSA-N 1 0 397.508 2.526 20 0 GFADRO NC(=O)[C@@H](c1ccc(-c2nn[nH]n2)cc1)[N@@H+]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000737737541 599077821 /nfs/dbraw/zinc/07/78/21/599077821.db2.gz ADRCBMDFTNNAFI-DOTOQJQBSA-N 1 0 382.855 2.536 20 0 GFADRO C[N@H+](Cc1ccccc1)[C@H]1CCN(c2snc(Cl)c2-c2nn[nH]n2)C1 ZINC000821614873 599081404 /nfs/dbraw/zinc/08/14/04/599081404.db2.gz YDDRGCMKVYTREN-LBPRGKRZSA-N 1 0 375.889 2.687 20 0 GFADRO NC(=O)[C@@H]([NH2+]CCc1ccc(Cl)cc1Cl)c1ccc(-c2nn[nH]n2)cc1 ZINC000737734839 599085687 /nfs/dbraw/zinc/08/56/87/599085687.db2.gz CDSJHUPENSIQQG-HNNXBMFYSA-N 1 0 391.262 2.532 20 0 GFADRO C[C@H]1CCC[C@H](C(=O)N2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC000736244913 599097513 /nfs/dbraw/zinc/09/75/13/599097513.db2.gz PLDNNJBDTGQKAG-LPHOPBHVSA-N 1 0 382.512 2.727 20 0 GFADRO CN(C(=O)c1ccccc1-c1ccccc1-c1nn[nH]n1)[C@H]1CCC[N@H+](C)C1 ZINC000736855418 599104096 /nfs/dbraw/zinc/10/40/96/599104096.db2.gz GQQDRTNSKBBXED-HNNXBMFYSA-N 1 0 376.464 2.700 20 0 GFADRO CC(C)C[C@H](CNC(=O)c1ccc(-c2nn[nH]n2)nc1)[NH2+][C@H](C)c1ccccc1 ZINC000735773106 599108440 /nfs/dbraw/zinc/10/84/40/599108440.db2.gz WCDJXZAUQKVGFT-CRAIPNDOSA-N 1 0 393.495 2.757 20 0 GFADRO Cc1cccnc1[C@@H]([NH2+]CCC(=O)Nc1sccc1-c1nn[nH]n1)C(C)C ZINC000737433495 599134270 /nfs/dbraw/zinc/13/42/70/599134270.db2.gz FZLGNLZOPOYWAZ-HNNXBMFYSA-N 1 0 385.497 2.947 20 0 GFADRO C[C@H](C(=O)Nc1cccc(-c2nn[nH]n2)c1)[N@@H+]1CC[C@H](Cc2ccccc2)C1 ZINC000735560390 599137704 /nfs/dbraw/zinc/13/77/04/599137704.db2.gz RNXJHZARHTYCHT-NVXWUHKLSA-N 1 0 376.464 2.758 20 0 GFADRO CC[C@@H]([NH2+]Cc1ccc(OC)c(-c2nn[nH]n2)c1)[C@H](O)c1c(F)cccc1F ZINC000820925263 599157536 /nfs/dbraw/zinc/15/75/36/599157536.db2.gz FYTZXCFKMWTHOX-QAPCUYQASA-N 1 0 389.406 2.755 20 0 GFADRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000736204495 599161862 /nfs/dbraw/zinc/16/18/62/599161862.db2.gz QDPDDUPDPXVGMU-OAHLLOKOSA-N 1 0 376.464 2.822 20 0 GFADRO CCOCC[N@@H+]1CCN(c2ccc(-c3nn[nH]n3)c(C(F)(F)F)c2)C[C@@H]1CC ZINC000736623673 599204312 /nfs/dbraw/zinc/20/43/12/599204312.db2.gz LAFVLFSVFDGWRR-ZDUSSCGKSA-N 1 0 398.433 2.823 20 0 GFADRO CC[NH+](CC)CCS[C@@H](C)C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000736530917 599302550 /nfs/dbraw/zinc/30/25/50/599302550.db2.gz PDDHPTAKCGLBCF-NSHDSACASA-N 1 0 382.921 2.922 20 0 GFADRO Cc1c(NC(=O)NC2CC[NH+](CC3CCCC3)CC2)cccc1-c1nn[nH]n1 ZINC000822091106 607288989 /nfs/dbraw/zinc/28/89/89/607288989.db2.gz OBQSPJDBDODAPL-UHFFFAOYSA-N 1 0 383.500 2.951 20 0 GFADRO Cc1cc(F)cc2c1ncc(-c1nn[nH]n1)c2NC1CC[NH+](CC(C)C)CC1 ZINC000737263709 599265092 /nfs/dbraw/zinc/26/50/92/599265092.db2.gz OKLCNSXDSYYCHI-UHFFFAOYSA-N 1 0 383.475 2.817 20 0 GFADRO Fc1cccc(Sc2nnc([C@H]3CCC[NH2+]C3)n2C2CC2)c1-c1nn[nH]n1 ZINC000737662665 599267718 /nfs/dbraw/zinc/26/77/18/599267718.db2.gz CRYHTVOISWVKNG-JTQLQIEISA-N 1 0 386.460 2.550 20 0 GFADRO C[C@H]([NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1cccc(Cl)c1Cl ZINC000736137239 599275953 /nfs/dbraw/zinc/27/59/53/599275953.db2.gz WIZQZJNLSLFNSD-VHSXEESVSA-N 1 0 393.282 2.763 20 0 GFADRO CC[NH+]1CCN(c2ccc(C(=O)Nc3cccc(-c4nn[nH]n4)c3C)cc2)CC1 ZINC000821276334 607325123 /nfs/dbraw/zinc/32/51/23/607325123.db2.gz JHRDAAJLBMNFOM-UHFFFAOYSA-N 1 0 391.479 2.569 20 0 GFADRO CC(C)[NH+]1CCC(N2CCN(c3ccc(Cl)cc3-c3nn[nH]n3)CC2)CC1 ZINC000820128564 607331746 /nfs/dbraw/zinc/33/17/46/607331746.db2.gz QSQMAHQHENVLDS-UHFFFAOYSA-N 1 0 389.935 2.515 20 0 GFADRO CCC[N@H+](CCOc1ccccc1-c1nn[nH]n1)[C@H](C)C(=O)Nc1ccccc1 ZINC000736481709 598251443 /nfs/dbraw/zinc/25/14/43/598251443.db2.gz ZQQPCQXFYHGMOS-MRXNPFEDSA-N 1 0 394.479 2.985 20 0 GFADRO COc1cc(-c2nn[nH]n2)ccc1Oc1ccc(NC(=O)[C@H]2CC[N@H+](C)C2)cc1 ZINC000737032403 598259417 /nfs/dbraw/zinc/25/94/17/598259417.db2.gz LYFBDJMUJHJLBP-AWEZNQCLSA-N 1 0 394.435 2.558 20 0 GFADRO Cc1cc(OCc2cccc(-c3nn[nH]n3)c2)ccc1NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000737278784 598260284 /nfs/dbraw/zinc/26/02/84/598260284.db2.gz FDXSGGSRDWAQRP-QGZVFWFLSA-N 1 0 392.463 2.644 20 0 GFADRO COc1ccc(Cl)cc1N1CC[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC000737098335 598356100 /nfs/dbraw/zinc/35/61/00/598356100.db2.gz BPAAHAYOXMIGQG-MRXNPFEDSA-N 1 0 384.871 2.897 20 0 GFADRO Cc1csc(N2CC[N@@H+](Cc3cn4ccccc4c3-c3nn[nH]n3)C[C@H]2C)n1 ZINC000737453543 598365372 /nfs/dbraw/zinc/36/53/72/598365372.db2.gz XAXOUFZGPQRXAS-CQSZACIVSA-N 1 0 394.508 2.595 20 0 GFADRO Cc1ccccc1C1CC[NH+](CC(=O)Nc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000737421508 598405563 /nfs/dbraw/zinc/40/55/63/598405563.db2.gz JTPWVRAKSJUGGG-UHFFFAOYSA-N 1 0 376.464 2.993 20 0 GFADRO O=C(CNc1ccc(-c2nn[nH]n2)cc1)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000737896733 598416152 /nfs/dbraw/zinc/41/61/52/598416152.db2.gz XUQRDKLDKLIXEO-UHFFFAOYSA-N 1 0 377.452 2.513 20 0 GFADRO CC(C)Oc1cccc(C[NH2+]C2CCN(c3ccc(-c4nn[nH]n4)cn3)CC2)c1 ZINC000735913723 598466012 /nfs/dbraw/zinc/46/60/12/598466012.db2.gz PJKNLAODPBQZJU-UHFFFAOYSA-N 1 0 393.495 2.808 20 0 GFADRO O=C(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000738048144 598468327 /nfs/dbraw/zinc/46/83/27/598468327.db2.gz DJTJQKVZAJCQMC-KRWDZBQOSA-N 1 0 391.479 2.553 20 0 GFADRO COC1CC[NH+](C2(CNc3nc4c(cc3-c3nn[nH]n3)CCC4)CCCC2)CC1 ZINC000736961955 598468602 /nfs/dbraw/zinc/46/86/02/598468602.db2.gz MJEHWZGBRKPVSL-UHFFFAOYSA-N 1 0 397.527 2.586 20 0 GFADRO C[C@H](CNC(=O)N(Cc1ccc(-c2nn[nH]n2)cc1)C1CC1)[NH+]1CCC(C)CC1 ZINC000736277225 598479396 /nfs/dbraw/zinc/47/93/96/598479396.db2.gz LHARPHMDLXUYHH-MRXNPFEDSA-N 1 0 397.527 2.661 20 0 GFADRO CC(C)(C)[NH2+]CCNC(=O)c1cccc(OCc2ccccc2-c2nn[nH]n2)c1 ZINC000735623348 598510230 /nfs/dbraw/zinc/51/02/30/598510230.db2.gz MLAKAZHYXVKHAT-UHFFFAOYSA-N 1 0 394.479 2.564 20 0 GFADRO C[C@@H]([NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1ccc(C(C)(C)C)cc1 ZINC000736134589 598522902 /nfs/dbraw/zinc/52/29/02/598522902.db2.gz KQNPYVCVJMQSAF-ZIAGYGMSSA-N 1 0 380.500 2.753 20 0 GFADRO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)N(C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000736457348 598540118 /nfs/dbraw/zinc/54/01/18/598540118.db2.gz NYJNZAZOVSVCGV-SFHVURJKSA-N 1 0 385.516 2.663 20 0 GFADRO O=C(CC1CCCC1)NC1CC[NH+](Cc2ccc(F)cc2-c2nn[nH]n2)CC1 ZINC000737812577 598558891 /nfs/dbraw/zinc/55/88/91/598558891.db2.gz FZRPGIUNZBWGBO-UHFFFAOYSA-N 1 0 386.475 2.667 20 0 GFADRO CC(=O)Nc1cccc([C@H](C)[NH2+]CCC(=O)Nc2sccc2-c2nn[nH]n2)c1 ZINC000735489429 598559528 /nfs/dbraw/zinc/55/95/28/598559528.db2.gz ZBWVNEUAMCNNIT-NSHDSACASA-N 1 0 399.480 2.566 20 0 GFADRO C[C@H]([NH2+]CCC(=O)Nc1sccc1-c1nn[nH]n1)c1cc(F)ccc1F ZINC000736133516 598559728 /nfs/dbraw/zinc/55/97/28/598559728.db2.gz HMPSODFUCDMPKF-VIFPVBQESA-N 1 0 378.408 2.886 20 0 GFADRO c1ccc(-c2nn[nH]n2)c(COc2cccc(C[NH2+]C[C@@H]3CCCOC3)c2)c1 ZINC000738411537 598562658 /nfs/dbraw/zinc/56/26/58/598562658.db2.gz VBVSSMWLRHSUGN-KRWDZBQOSA-N 1 0 379.464 2.962 20 0 GFADRO C[C@H]([NH2+]C(C)(C)CNC(=O)CNc1ccc(-c2nn[nH]n2)cc1)c1ccccc1 ZINC000736124127 598589207 /nfs/dbraw/zinc/58/92/07/598589207.db2.gz FGJJOTORRLIGSL-HNNXBMFYSA-N 1 0 393.495 2.524 20 0 GFADRO CC(=O)N1CCCCC[C@H]1C1CC[NH+](Cc2ccccc2-c2nn[nH]n2)CC1 ZINC000735464399 598594418 /nfs/dbraw/zinc/59/44/18/598594418.db2.gz ANWDCOJATMZOOX-FQEVSTJZSA-N 1 0 382.512 2.870 20 0 GFADRO O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000738102717 598605303 /nfs/dbraw/zinc/60/53/03/598605303.db2.gz ANBCAWGQAAHEDB-UHFFFAOYSA-N 1 0 376.464 2.783 20 0 GFADRO O=C(Nc1ccc(F)c(-c2nn[nH]n2)c1)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000738165914 598625793 /nfs/dbraw/zinc/62/57/93/598625793.db2.gz GRWVFPBIBQXZJR-GOSISDBHSA-N 1 0 395.442 2.964 20 0 GFADRO CC1CC[NH+](CCCCNC(=O)CSc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736277812 598666101 /nfs/dbraw/zinc/66/61/01/598666101.db2.gz YLUBLMNNYMVIAS-UHFFFAOYSA-N 1 0 388.541 2.587 20 0 GFADRO O=C(NCC[NH+]1CCCCC1)c1cccc(Oc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000738074757 598667384 /nfs/dbraw/zinc/66/73/84/598667384.db2.gz JDEAVQJJSBYHDF-UHFFFAOYSA-N 1 0 392.463 2.875 20 0 GFADRO C[N@H+](Cc1ccc(C(=O)NC2CC2)cc1)Cc1ccc(F)cc1-c1nn[nH]n1 ZINC000736817263 598679916 /nfs/dbraw/zinc/67/99/16/598679916.db2.gz VSKWNCROBUJYIK-UHFFFAOYSA-N 1 0 380.427 2.530 20 0 GFADRO C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)CCCCOc1cccc(-c2nn[nH]n2)c1 ZINC000736860485 598688696 /nfs/dbraw/zinc/68/86/96/598688696.db2.gz RLPGIDPEXZYJSH-MOPGFXCFSA-N 1 0 398.511 2.501 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CNC(=O)c1cccc(Oc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000736570972 598698725 /nfs/dbraw/zinc/69/87/25/598698725.db2.gz NXIFGXLVLYTPMM-KRWDZBQOSA-N 1 0 392.463 2.873 20 0 GFADRO c1ccc(N2CCC[N@@H+](Cc3ccc4c(c3)CCO4)CC2)c(-c2nn[nH]n2)c1 ZINC000738435153 598701324 /nfs/dbraw/zinc/70/13/24/598701324.db2.gz IFUFJECBWYATDC-UHFFFAOYSA-N 1 0 376.464 2.514 20 0 GFADRO O=C(CC[N@@H+]1CC[C@@H](c2ccco2)C1)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000737839375 598704603 /nfs/dbraw/zinc/70/46/03/598704603.db2.gz QYKZFSRQXXITGL-GFCCVEGCSA-N 1 0 386.843 2.931 20 0 GFADRO CCCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)NC[C@H]1CCCC[N@@H+]1CC ZINC000736481787 598717069 /nfs/dbraw/zinc/71/70/69/598717069.db2.gz UZMKSFLQVRHEFY-GOSISDBHSA-N 1 0 385.516 2.663 20 0 GFADRO CC(C)C[C@H](CNC(=O)c1ccc(-c2nn[nH]n2)cn1)[NH2+][C@H](C)c1ccccc1 ZINC000735768857 598721561 /nfs/dbraw/zinc/72/15/61/598721561.db2.gz DMPUEJYUOWXZRW-CRAIPNDOSA-N 1 0 393.495 2.757 20 0 GFADRO C[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)C[C@H](O)c1ccc(Br)cc1 ZINC000736823297 598759027 /nfs/dbraw/zinc/75/90/27/598759027.db2.gz VKFRGCCDOITUTM-INIZCTEOSA-N 1 0 388.269 2.795 20 0 GFADRO COc1cccc([C@H](C)[NH+]2CCN(Cc3ccc(F)cc3-c3nn[nH]n3)CC2)c1 ZINC000737120901 598768336 /nfs/dbraw/zinc/76/83/36/598768336.db2.gz JNFOVZMQUDYQEM-HNNXBMFYSA-N 1 0 396.470 2.893 20 0 GFADRO CC(C)(C)[C@@H](O)C[NH2+]Cc1cccc(OCc2cccc(-c3nn[nH]n3)c2)c1 ZINC000735597201 598777418 /nfs/dbraw/zinc/77/74/18/598777418.db2.gz NMNHGROJWCAFEL-IBGZPJMESA-N 1 0 381.480 2.942 20 0 GFADRO CC[C@@H](C)[C@H](O)C[NH2+]Cc1cccc(OCc2cccc(-c3nn[nH]n3)c2)c1 ZINC000736328310 598778270 /nfs/dbraw/zinc/77/82/70/598778270.db2.gz HDPGLXTUPPTRDK-FOIQADDNSA-N 1 0 381.480 2.942 20 0 GFADRO CC[C@@H](C)[C@H](O)C[NH2+]Cc1cccc(OCc2ccccc2-c2nn[nH]n2)c1 ZINC000736329658 598778396 /nfs/dbraw/zinc/77/83/96/598778396.db2.gz KDOHCDQHSFOJSG-FOIQADDNSA-N 1 0 381.480 2.942 20 0 GFADRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(Cc2cn3ccccc3c2-c2nn[nH]n2)C1 ZINC000736236420 598809966 /nfs/dbraw/zinc/80/99/66/598809966.db2.gz JPHIWNYZHXYTCM-JFIYKMOQSA-N 1 0 379.512 2.957 20 0 GFADRO C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000736236732 598811214 /nfs/dbraw/zinc/81/12/14/598811214.db2.gz MFNRWPRNLAKBQW-WMLDXEAASA-N 1 0 376.464 2.620 20 0 GFADRO CCC[NH+]1CCC(NC(=O)Nc2ccc(-c3nn[nH]n3)c(C(F)(F)F)c2)CC1 ZINC000821110190 599294510 /nfs/dbraw/zinc/29/45/10/599294510.db2.gz XNXXSCFQXROCGA-UHFFFAOYSA-N 1 0 397.405 2.881 20 0 GFADRO C[C@H](CNC(=O)Nc1ccc(Oc2ccccc2-c2nn[nH]n2)c(F)c1)[NH+](C)C ZINC000820270144 599296303 /nfs/dbraw/zinc/29/63/03/599296303.db2.gz WDSMVJJGPVITGY-GFCCVEGCSA-N 1 0 399.430 2.870 20 0 GFADRO CC(C)[C@@H](CO)[N@H+](CCOc1ccccc1-c1nn[nH]n1)Cc1ccccc1 ZINC000735708883 599354635 /nfs/dbraw/zinc/35/46/35/599354635.db2.gz JKMMGGYCWSSHKF-LJQANCHMSA-N 1 0 381.480 2.765 20 0 GFADRO COc1ccc([C@@H]2[C@@H](COC(=O)c3ccc(-c4nn[nH]n4)cc3)CC[N@@H+]2C)cc1 ZINC000737076754 599360389 /nfs/dbraw/zinc/36/03/89/599360389.db2.gz OVKICHPOVXMZIA-IEBWSBKVSA-N 1 0 393.447 2.725 20 0 GFADRO C[C@@H]([NH2+]Cc1ccc(C(=O)N2CCCC2)cc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000820433543 599365446 /nfs/dbraw/zinc/36/54/46/599365446.db2.gz YVETUDHSSLALFL-OAHLLOKOSA-N 1 0 376.464 2.954 20 0 GFADRO C[C@H](Nc1ccc(CC[NH+]2CCOCC2)cc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000820456143 599368582 /nfs/dbraw/zinc/36/85/82/599368582.db2.gz QKTJZGAROBLQRK-INIZCTEOSA-N 1 0 378.480 2.915 20 0 GFADRO C[C@@H](NC(=O)[C@H](C)[NH2+][C@H](C)c1cccc(-c2nn[nH]n2)c1)c1ccc(F)cc1 ZINC000820412721 599388058 /nfs/dbraw/zinc/38/80/58/599388058.db2.gz MPSSZOIEMRGLJI-MCIONIFRSA-N 1 0 382.443 2.922 20 0 GFADRO CCOc1ccc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2cccc(-c3nn[nH]n3)c2)cc1 ZINC000821421691 599389050 /nfs/dbraw/zinc/38/90/50/599389050.db2.gz CQSVJUZYEBZUSM-ZIAGYGMSSA-N 1 0 380.452 2.943 20 0 GFADRO Cc1ccccc1CN(C)C(=O)[C@@H](C)[NH2+][C@H](C)c1cccc(-c2nn[nH]n2)c1 ZINC000822355986 599389178 /nfs/dbraw/zinc/38/91/78/599389178.db2.gz FLLYRAUKLIGPOK-HZPDHXFCSA-N 1 0 378.480 2.873 20 0 GFADRO COC(=O)COc1c(C)cc(C[NH2+][C@H](C)c2cccc(-c3nn[nH]n3)c2)cc1C ZINC000821662465 599397612 /nfs/dbraw/zinc/39/76/12/599397612.db2.gz DGJJLLPPOAIJGK-OAHLLOKOSA-N 1 0 395.463 2.886 20 0 GFADRO C[C@H]([NH2+]Cc1ccc(-c2nn[nH]n2)o1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000820432891 599438096 /nfs/dbraw/zinc/43/80/96/599438096.db2.gz TVHYQMATAAUIFE-ZDUSSCGKSA-N 1 0 389.419 2.958 20 0 GFADRO COc1ccc([C@H](C)CC[NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)cc1 ZINC000821777751 599448329 /nfs/dbraw/zinc/44/83/29/599448329.db2.gz MEVDWWLEADJBNO-CQSZACIVSA-N 1 0 377.452 2.806 20 0 GFADRO COc1cccc(C[NH2+]CCOc2ccc(-c3nn[nH]n3)cc2)c1OC(F)F ZINC000821869047 599450787 /nfs/dbraw/zinc/45/07/87/599450787.db2.gz ZMHVSRRFGODHMX-UHFFFAOYSA-N 1 0 391.378 2.645 20 0 GFADRO CC[C@@H](C)C[C@H](C)NC(=O)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000820870518 599455354 /nfs/dbraw/zinc/45/53/54/599455354.db2.gz UGYFMPGTAITWIN-SJORKVTESA-N 1 0 399.543 2.909 20 0 GFADRO COc1ccc(C[NH2+]C2(c3cccc(F)c3)CCOCC2)cc1-c1nn[nH]n1 ZINC000821804283 599463839 /nfs/dbraw/zinc/46/38/39/599463839.db2.gz KYQYCXMGBLGTNL-UHFFFAOYSA-N 1 0 383.427 2.810 20 0 GFADRO FC(F)(F)c1cc(-c2nn[nH]n2)ccc1NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000737628053 599527459 /nfs/dbraw/zinc/52/74/59/599527459.db2.gz VINNCISTKZCITC-GFCCVEGCSA-N 1 0 396.417 2.798 20 0 GFADRO Clc1cnccc1CN1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000822591085 599560310 /nfs/dbraw/zinc/56/03/10/599560310.db2.gz QJMNVRZLLPTDOR-UHFFFAOYSA-N 1 0 383.887 2.623 20 0 GFADRO C[NH+](C)CCCCNC(=O)c1cccc(Nc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000736759704 599569697 /nfs/dbraw/zinc/56/96/97/599569697.db2.gz WJVAZJUUVCZFJU-UHFFFAOYSA-N 1 0 379.468 2.682 20 0 GFADRO c1[nH]c2ncccc2c1C1=CC[N@H+](CCOc2ccccc2-c2nn[nH]n2)CC1 ZINC000735398393 599580552 /nfs/dbraw/zinc/58/05/52/599580552.db2.gz FEMVLTMBGZIEDK-UHFFFAOYSA-N 1 0 387.447 2.911 20 0 GFADRO CCc1nc(CN2CC[NH+]([C@@H](C)c3ccc(-c4nn[nH]n4)cc3)CC2)cs1 ZINC000736703736 599580844 /nfs/dbraw/zinc/58/08/44/599580844.db2.gz GDJVOBGHCZTSKX-AWEZNQCLSA-N 1 0 383.525 2.764 20 0 GFADRO CN(C[C@@H]1CCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1F)C(=O)OC(C)(C)C ZINC000821596481 599591012 /nfs/dbraw/zinc/59/10/12/599591012.db2.gz LGEBASIRNODITE-HNNXBMFYSA-N 1 0 390.463 2.837 20 0 GFADRO Cc1cc(N[C@H]2CC[N@H+](C)[C@@H](C)C2)n2c3ccccc3nc2c1-c1nn[nH]n1 ZINC000822209621 599591169 /nfs/dbraw/zinc/59/11/69/599591169.db2.gz PVESWOZGMINQBN-KBPBESRZSA-N 1 0 376.468 2.871 20 0 GFADRO CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)CCc1ccc(-c2nn[nH]n2)cc1 ZINC000736771101 599604089 /nfs/dbraw/zinc/60/40/89/599604089.db2.gz HWCXTNMKGCEEAE-UHFFFAOYSA-N 1 0 378.480 2.520 20 0 GFADRO C[C@@H](NC(=O)N[C@@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1)c1cccc(-c2nn[nH]n2)c1 ZINC000820650608 599672446 /nfs/dbraw/zinc/67/24/46/599672446.db2.gz VZZDPPKKOBRFIL-XUWVNRHRSA-N 1 0 385.516 2.593 20 0 GFADRO C[C@@H](NC(=O)N1CC[NH+](CC2CCCCC2)CC1)c1cccc(-c2nn[nH]n2)c1 ZINC000820348925 599680075 /nfs/dbraw/zinc/68/00/75/599680075.db2.gz GTPLREKWBUMNLC-MRXNPFEDSA-N 1 0 397.527 2.835 20 0 GFADRO C[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccccc1)c1cccc(-c2nn[nH]n2)c1 ZINC000820342910 599680872 /nfs/dbraw/zinc/68/08/72/599680872.db2.gz YMEZPZPBLFEGCG-INIZCTEOSA-N 1 0 393.495 2.701 20 0 GFADRO C[NH+]1CCC(C(=O)Nc2ccc(OCc3cccc(-c4nn[nH]n4)c3)cc2)CC1 ZINC000821621778 599699710 /nfs/dbraw/zinc/69/97/10/599699710.db2.gz GHLDDDOVLSRNMW-UHFFFAOYSA-N 1 0 392.463 2.726 20 0 GFADRO Cc1cc[nH+]c(NC[C@@H]2CC[N@H+](CC(=O)NCc3ccc(NC(=O)[O-])cc3)C2)c1 ZINC000738798661 600096441 /nfs/dbraw/zinc/09/64/41/600096441.db2.gz TXVSAVBUYYIGLY-KRWDZBQOSA-N 1 0 397.479 2.530 20 0 GFADRO O=C(NC1(c2cccc(-c3nn[nH]n3)c2)CC1)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000826427779 607423008 /nfs/dbraw/zinc/42/30/08/607423008.db2.gz AIESKAVUHIBTBO-UHFFFAOYSA-N 1 0 397.442 2.846 20 0 GFADRO CC(C)Oc1ccc(NC(=O)N2CC[NH+](C3CCCC3)CC2)cc1-c1nn[nH]n1 ZINC000820164148 607425285 /nfs/dbraw/zinc/42/52/85/607425285.db2.gz FMZGJYYONMYNDP-UHFFFAOYSA-N 1 0 399.499 2.746 20 0 GFADRO CCC[NH+](CCC)CCCNC(=O)NC1(c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000825313388 607455149 /nfs/dbraw/zinc/45/51/49/607455149.db2.gz DGXVVNXPTBPLDO-UHFFFAOYSA-N 1 0 385.516 2.667 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1cccc(NC(=O)[O-])c1 ZINC000737114565 600684635 /nfs/dbraw/zinc/68/46/35/600684635.db2.gz KGVARFJGXANVRU-QGZVFWFLSA-N 1 0 377.489 2.656 20 0 GFADRO CC[C@H](O)C[N@H+](CCCOc1cccc(-c2nn[nH]n2)c1)Cc1ccccc1 ZINC000825153468 607473288 /nfs/dbraw/zinc/47/32/88/607473288.db2.gz HRLMWNBMEOTLIS-IBGZPJMESA-N 1 0 381.480 2.909 20 0 GFADRO COc1ccc(C[NH+]2CCN(c3cccc(Cl)c3)CC2)cc1-c1nn[nH]n1 ZINC000826195232 607482894 /nfs/dbraw/zinc/48/28/94/607482894.db2.gz MGQWQVJSZFKIGX-UHFFFAOYSA-N 1 0 384.871 2.851 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(N(C)C(=O)[O-])cc1 ZINC000737855950 601029982 /nfs/dbraw/zinc/02/99/82/601029982.db2.gz RUJOLPSOUIVDQY-GOSISDBHSA-N 1 0 391.516 2.681 20 0 GFADRO Cc1ccc(-c2nn[nH]n2)cc1NC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000822217313 607507964 /nfs/dbraw/zinc/50/79/64/607507964.db2.gz ARZPJPKMIXKHEF-QAPCUYQASA-N 1 0 381.484 2.656 20 0 GFADRO COc1ccc(C[N@@H+]2CCC[C@@H]2C[C@H](O)c2ccccc2)cc1-c1nn[nH]n1 ZINC000826194420 607508402 /nfs/dbraw/zinc/50/84/02/607508402.db2.gz LEEIGDKIGFKOCA-MJGOQNOKSA-N 1 0 379.464 2.963 20 0 GFADRO c1cc(-c2cccc(C[NH2+]Cc3cnc4cnccn34)c2)sc1-c1nn[nH]n1 ZINC000826516446 607523980 /nfs/dbraw/zinc/52/39/80/607523980.db2.gz LMESACUEVFDCMI-UHFFFAOYSA-N 1 0 388.460 2.928 20 0 GFADRO COc1ccc(-c2nn[nH]n2)cc1C[NH+]1CCC(C(=O)NC2CCCCC2)CC1 ZINC000826182699 607642729 /nfs/dbraw/zinc/64/27/29/607642729.db2.gz RFNMJBUJBMIXCV-UHFFFAOYSA-N 1 0 398.511 2.536 20 0 GFADRO CCc1ccc([C@H](CNC(=O)c2ccc(-c3nn[nH]n3)cc2C)[NH+](C)C)cc1 ZINC000825704262 607650980 /nfs/dbraw/zinc/65/09/80/607650980.db2.gz FLOBJLKKSJZBHH-IBGZPJMESA-N 1 0 378.480 2.770 20 0 GFADRO Fc1ccc(-n2cc(C[NH2+]C3(c4cccc(-c5nn[nH]n5)c4)CC3)cn2)cc1 ZINC000826373756 607704986 /nfs/dbraw/zinc/70/49/86/607704986.db2.gz YNLUBXJWQLBROA-UHFFFAOYSA-N 1 0 375.411 2.970 20 0 GFADRO CN1CC[C@@H]([NH2+]C2CC[NH+](CCCC(=O)[O-])CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000833698512 605228225 /nfs/dbraw/zinc/22/82/25/605228225.db2.gz PVIFNGGFQMOZFQ-QUCCMNQESA-N 1 0 381.467 2.629 20 0 GFADRO C[C@@H](C[C@H]1CCCN1C(=O)[O-])[NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1 ZINC000824766794 605511215 /nfs/dbraw/zinc/51/12/15/605511215.db2.gz DWDBHEWTKJSQES-QFBILLFUSA-N 1 0 375.513 2.654 20 0 GFADRO O=C([O-])NC[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000834222624 605698763 /nfs/dbraw/zinc/69/87/63/605698763.db2.gz ONCAQUYCZGESPR-QUCCMNQESA-N 1 0 375.513 2.559 20 0 GFADRO CC[NH+](CC)CCO[C@H]1CCN(c2ccc(-c3nn[nH]n3)c(C(F)(F)F)c2)C1 ZINC000821188795 606139983 /nfs/dbraw/zinc/13/99/83/606139983.db2.gz CUNRKHVHNVRYSX-AWEZNQCLSA-N 1 0 398.433 2.823 20 0 GFADRO C[C@@H](c1ccc([S@@](C)=O)cc1)[N@H+](C)CCOc1ccc(-c2nn[nH]n2)cc1 ZINC000820563526 606159648 /nfs/dbraw/zinc/15/96/48/606159648.db2.gz RQXMWDDHJKURFH-PGGUUEOZSA-N 1 0 385.493 2.676 20 0 GFADRO C[C@H]1C[NH+](CCCNc2ccc(C(F)(F)F)cc2-c2nn[nH]n2)C[C@H](C)O1 ZINC000820759784 606173773 /nfs/dbraw/zinc/17/37/73/606173773.db2.gz NRDMLKPJFZMXNA-RYUDHWBXSA-N 1 0 384.406 2.797 20 0 GFADRO Fc1cc(Cl)cnc1N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000822747990 606183455 /nfs/dbraw/zinc/18/34/55/606183455.db2.gz BIJGRJMHUAYLKH-UHFFFAOYSA-N 1 0 387.850 2.767 20 0 GFADRO CC(C)CC[NH+]1CCC(CNC(=O)C=Cc2ccccc2-c2nn[nH]n2)CC1 ZINC000820076182 606189479 /nfs/dbraw/zinc/18/94/79/606189479.db2.gz FLAHBRXGUZFJMF-FPLPWBNLSA-N 1 0 382.512 2.754 20 0 GFADRO CCN(C[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2F)C1)CC(F)(F)F ZINC000821197976 606191326 /nfs/dbraw/zinc/19/13/26/606191326.db2.gz PYBZJRBMMUNTON-GFCCVEGCSA-N 1 0 386.397 2.712 20 0 GFADRO CC(C)CC[NH+]1CCC(CNC(=O)Nc2ccc(F)c(-c3nn[nH]n3)c2)CC1 ZINC000820076653 606193522 /nfs/dbraw/zinc/19/35/22/606193522.db2.gz QJQQPDJZPJWUHU-UHFFFAOYSA-N 1 0 389.479 2.885 20 0 GFADRO CC(C)CC[NH+]1CCC(CNC(=O)N[C@H](C)c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000820076094 606197965 /nfs/dbraw/zinc/19/79/65/606197965.db2.gz AFZYJXSWYJJFIQ-MRXNPFEDSA-N 1 0 399.543 2.985 20 0 GFADRO COc1ccccc1[C@H](C[NH2+]Cc1cc(-c2nn[nH]n2)cs1)N1CCCC1 ZINC000821882901 606207435 /nfs/dbraw/zinc/20/74/35/606207435.db2.gz NCGWQZWVMOVURA-KRWDZBQOSA-N 1 0 384.509 2.864 20 0 GFADRO O[C@H]([C@@H](Cc1ccccc1)[NH2+]Cc1cc(-c2nn[nH]n2)cs1)C(F)(F)F ZINC000823675392 606220636 /nfs/dbraw/zinc/22/06/36/606220636.db2.gz WNBXWMYTTFQYCB-ZIAGYGMSSA-N 1 0 383.399 2.552 20 0 GFADRO CCN(C(=O)c1cc(-c2nn[nH]n2)cn1C)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000821154826 606281826 /nfs/dbraw/zinc/28/18/26/606281826.db2.gz SIPWCDGPUPFVFA-YJBOKZPZSA-N 1 0 393.495 2.503 20 0 GFADRO CC(C)[C@@H](C[NH2+]CCS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)c1ccccc1 ZINC000820021746 606307755 /nfs/dbraw/zinc/30/77/55/606307755.db2.gz YGBBIFFSYFNWJP-LJQANCHMSA-N 1 0 399.520 2.670 20 0 GFADRO CC1(C)CN(C(=O)c2ccc(Sc3ccccc3-c3nn[nH]n3)cc2)CC[NH2+]1 ZINC000820601662 606324579 /nfs/dbraw/zinc/32/45/79/606324579.db2.gz QYZKXRMTNYQXFO-UHFFFAOYSA-N 1 0 394.504 2.842 20 0 GFADRO O=C(CC[NH2+]C1(c2nccs2)CCCC1)Nc1sccc1-c1nn[nH]n1 ZINC000822969609 606333047 /nfs/dbraw/zinc/33/30/47/606333047.db2.gz SZGDJWVUTRVQBT-UHFFFAOYSA-N 1 0 389.510 2.772 20 0 GFADRO C[C@@H]1[C@H](c2ccccc2)CC[N@@H+]1[C@H]1CCN(c2sccc2-c2nn[nH]n2)C1=O ZINC000820641613 606337480 /nfs/dbraw/zinc/33/74/80/606337480.db2.gz DMRDUBTUEBSLGD-UNEWFSDZSA-N 1 0 394.504 2.912 20 0 GFADRO Cc1ccc([C@@H](CNC(=O)Nc2ccc(F)cc2-c2nn[nH]n2)[NH+](C)C)cc1 ZINC000822230462 606357576 /nfs/dbraw/zinc/35/75/76/606357576.db2.gz HIDUAUXVXLUTEO-QGZVFWFLSA-N 1 0 383.431 2.739 20 0 GFADRO CC[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)N[C@@H](C)c1cccc(-c2nn[nH]n2)c1 ZINC000821002282 606393284 /nfs/dbraw/zinc/39/32/84/606393284.db2.gz VLRKEVAKIGPOJI-QGTPRVQTSA-N 1 0 383.500 2.586 20 0 GFADRO C[C@H]([NH2+]Cc1ccc(-c2nn[nH]n2)s1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000820433556 606414418 /nfs/dbraw/zinc/41/44/18/606414418.db2.gz ZCDHVJFOIXAXNG-ZDUSSCGKSA-N 1 0 397.508 2.645 20 0 GFADRO Cc1c[nH+]ccc1N1CCC(C(=O)N[C@@H](C)c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000822399251 606442568 /nfs/dbraw/zinc/44/25/68/606442568.db2.gz DEDSGUAPBJZGRR-HNNXBMFYSA-N 1 0 391.479 2.664 20 0 GFADRO Cc1nnc(N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c(-c2nn[nH]n2)c1C ZINC000822515904 606471616 /nfs/dbraw/zinc/47/16/16/606471616.db2.gz RFJZWJVJGNYCCV-GUYCJALGSA-N 1 0 378.484 2.596 20 0 GFADRO O=C(NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1cc(-c2nn[nH]n2)cs1 ZINC000823175335 606539534 /nfs/dbraw/zinc/53/95/34/606539534.db2.gz GFTPTKHSUKINPL-OAHLLOKOSA-N 1 0 382.493 2.570 20 0 GFADRO C[C@H](C(=O)OCc1ccc(-c2nn[nH]n2)cc1OC(F)F)[NH+]1CCCCCC1 ZINC000819882550 606560255 /nfs/dbraw/zinc/56/02/55/606560255.db2.gz BJGPFGWLNLYAPX-GFCCVEGCSA-N 1 0 395.410 2.776 20 0 GFADRO Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)n1C[N@@H+]1CCS[C@H]2CCCC[C@H]21 ZINC000822505729 606592546 /nfs/dbraw/zinc/59/25/46/606592546.db2.gz SYSQBMWITNZGDA-SJORKVTESA-N 1 0 396.524 2.751 20 0 GFADRO C[NH+](C)Cc1ccc(NC(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)cc1F ZINC000821588507 606689092 /nfs/dbraw/zinc/68/90/92/606689092.db2.gz WJXGHVCIDKCXBT-UHFFFAOYSA-N 1 0 376.342 2.598 20 0 GFADRO COc1cc(C[N@@H+]2CC[C@H](Nc3ccc(-c4nn[nH]n4)cc3)C2)cc(OC)c1 ZINC000821716600 606727766 /nfs/dbraw/zinc/72/77/66/606727766.db2.gz BHRCXXTXJDTFSH-KRWDZBQOSA-N 1 0 380.452 2.570 20 0 GFADRO CC[C@@H]([NH2+]Cc1cccc(-c2nn[nH]n2)c1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000820926629 606742292 /nfs/dbraw/zinc/74/22/92/606742292.db2.gz UIJJIZPQLBCHPD-RTWAWAEBSA-N 1 0 392.507 2.636 20 0 GFADRO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)c1ccc(-c2nn[nH]n2)s1 ZINC000820758726 606748292 /nfs/dbraw/zinc/74/82/92/606748292.db2.gz CGGKCDIHHUSNGD-KBPBESRZSA-N 1 0 396.520 2.815 20 0 GFADRO CN(C(=O)CCc1ccc(-c2nn[nH]n2)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000821569173 606812504 /nfs/dbraw/zinc/81/25/04/606812504.db2.gz AYGILJQMMRTKQV-HXUWFJFHSA-N 1 0 390.491 2.532 20 0 GFADRO CC(C)[C@H]([NH2+]C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1)c1ccc2c(c1)OCCO2 ZINC000820026132 606848146 /nfs/dbraw/zinc/84/81/46/606848146.db2.gz IEQXBGLPNBTRQF-XLIONFOSSA-N 1 0 395.463 2.658 20 0 GFADRO Cc1ccc(N2CC[N@H+](C[C@H](O)c3ccc(-c4nn[nH]n4)cc3)[C@H](C)C2)cc1C ZINC000822242681 606862464 /nfs/dbraw/zinc/86/24/64/606862464.db2.gz UKBCBJGZNLYEQI-UTKZUKDTSA-N 1 0 392.507 2.728 20 0 GFADRO COCC[N@@H+](Cc1ccc(C)cc1C)C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821690763 606889794 /nfs/dbraw/zinc/88/97/94/606889794.db2.gz ZFJLPWOVEIFZAE-HXUWFJFHSA-N 1 0 381.480 2.666 20 0 GFADRO CC[N@H+](C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1)[C@H](C)Cc1ccc(OC)cc1 ZINC000821169725 606897367 /nfs/dbraw/zinc/89/73/67/606897367.db2.gz CBWQWXSCNLZYHN-FOIQADDNSA-N 1 0 381.480 2.862 20 0 GFADRO O[C@H](C[NH+]1CCC(Cc2ccccc2F)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823672804 606898054 /nfs/dbraw/zinc/89/80/54/606898054.db2.gz HCJHQSDXPXDSDA-HXUWFJFHSA-N 1 0 381.455 2.994 20 0 GFADRO CCC[N@H+](C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1)[C@H](C)C(=O)Nc1ccccc1 ZINC000821094783 606922652 /nfs/dbraw/zinc/92/26/52/606922652.db2.gz QNVDUAYAZYWPRT-DNVCBOLYSA-N 1 0 394.479 2.639 20 0 GFADRO CCC[N@H+](C[C@H](O)c1ccc(-c2nn[nH]n2)cc1)[C@@H](C)C(=O)Nc1ccccc1 ZINC000821094785 606922782 /nfs/dbraw/zinc/92/27/82/606922782.db2.gz QNVDUAYAZYWPRT-KXBFYZLASA-N 1 0 394.479 2.639 20 0 GFADRO CC[C@H](C[NH+]1CCCC1)NC(=O)Nc1cc(-c2nn[nH]n2)ccc1OC(C)C ZINC000820902470 606953107 /nfs/dbraw/zinc/95/31/07/606953107.db2.gz LKKYRTLITCUYBO-OAHLLOKOSA-N 1 0 387.488 2.650 20 0 GFADRO O=C(Nc1ccccc1)NC1CC[NH+](Cc2ccc(F)c(-c3nn[nH]n3)c2)CC1 ZINC000823367965 606967500 /nfs/dbraw/zinc/96/75/00/606967500.db2.gz PHEZIHLNHLIJED-UHFFFAOYSA-N 1 0 395.442 2.792 20 0 GFADRO Cn1cc(Br)cc1C[N@H+](C)Cc1ccc(F)cc1-c1nn[nH]n1 ZINC000821611101 606985106 /nfs/dbraw/zinc/98/51/06/606985106.db2.gz QOMJVTICLMLNQO-UHFFFAOYSA-N 1 0 379.237 2.739 20 0 GFADRO c1ccc(C[N@@H+]2CCC[C@H]3CN(c4ncccc4-c4nn[nH]n4)CC[C@@H]32)cc1 ZINC000823779336 607032239 /nfs/dbraw/zinc/03/22/39/607032239.db2.gz AOKQHKNPSVFTFQ-HKUYNNGSSA-N 1 0 375.480 2.753 20 0 GFADRO c1ccc(C[N@@H+]2CCC[C@H]3CN(c4ccc(-c5nn[nH]n5)nc4)CC[C@@H]32)cc1 ZINC000823780122 607032314 /nfs/dbraw/zinc/03/23/14/607032314.db2.gz OJHNZOPTJDMZTQ-PXNSSMCTSA-N 1 0 375.480 2.753 20 0 GFADRO C[C@@H](CCc1cccc(F)c1)[NH2+]C1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1 ZINC000820253539 607045860 /nfs/dbraw/zinc/04/58/60/607045860.db2.gz JNQLEWHMDAQVBU-HNNXBMFYSA-N 1 0 395.486 2.981 20 0 GFADRO Cc1ccccc1C[C@@H](C)[NH2+]C1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1 ZINC000822356048 607047058 /nfs/dbraw/zinc/04/70/58/607047058.db2.gz HJKLQSMFIRAWOC-MRXNPFEDSA-N 1 0 377.496 2.760 20 0 GFADRO C[NH+](C)Cc1ccc(NC(=O)C(C)(C)Oc2ccc(-c3nn[nH]n3)cc2)cc1F ZINC000821588155 607055271 /nfs/dbraw/zinc/05/52/71/607055271.db2.gz DTWRMTNNEPCUIU-UHFFFAOYSA-N 1 0 398.442 2.864 20 0 GFADRO O=C1Nc2ccccc2C12CCC([NH2+]Cc1ccc(-c3nn[nH]n3)cc1F)CC2 ZINC000823546689 607059743 /nfs/dbraw/zinc/05/97/43/607059743.db2.gz DJQAHIJILJADDY-UHFFFAOYSA-N 1 0 392.438 2.928 20 0 GFADRO Fc1ccc(-c2nn[nH]n2)c(C[NH+]2CCC(OC[C@@H]3CCCCO3)CC2)c1 ZINC000822758366 607072752 /nfs/dbraw/zinc/07/27/52/607072752.db2.gz MUWUTMGNZKIAKO-KRWDZBQOSA-N 1 0 375.448 2.556 20 0 GFADRO C[C@@H]([NH2+][C@H](C)c1cccc(-c2nn[nH]n2)c1)c1cccc(NS(C)(=O)=O)c1 ZINC000820414293 607088142 /nfs/dbraw/zinc/08/81/42/607088142.db2.gz XOTRZSXLKPVTQQ-CHWSQXEVSA-N 1 0 386.481 2.650 20 0 GFADRO C[NH+](C)CCN(Cc1ccc(C(F)(F)F)cc1)c1ncccc1-c1nn[nH]n1 ZINC000821586430 607114790 /nfs/dbraw/zinc/11/47/90/607114790.db2.gz XRPLIZUGGLFASL-UHFFFAOYSA-N 1 0 391.401 2.849 20 0 GFADRO C[C@@H]1C[C@H](CCNC(=O)c2ccc(-c3nn[nH]n3)s2)C[N@@H+]1Cc1ccccc1 ZINC000824886280 607795546 /nfs/dbraw/zinc/79/55/46/607795546.db2.gz WRVPFXLQLYFGII-ZBFHGGJFSA-N 1 0 396.520 2.959 20 0 GFADRO C[C@@H]1C[C@@H](CCNC(=O)c2ccc(-c3nn[nH]n3)cc2)C[N@@H+]1Cc1ccccc1 ZINC000824876167 607795684 /nfs/dbraw/zinc/79/56/84/607795684.db2.gz QVBMWBOOUWKCNH-SJLPKXTDSA-N 1 0 390.491 2.897 20 0 GFADRO O=S(=O)(CC[NH2+][C@@H]1CC[C@@H]2CCCC[C@@H]2C1)c1cccc(-c2nn[nH]n2)c1 ZINC000826485499 607815221 /nfs/dbraw/zinc/81/52/21/607815221.db2.gz SPWHREGHXNZJQZ-ZMSDIMECSA-N 1 0 389.525 2.589 20 0 GFADRO COc1ccc(-c2nn[nH]n2)cc1C[N@H+](Cc1ccccc1)[C@@H](CO)C1CC1 ZINC000826182289 607858043 /nfs/dbraw/zinc/85/80/43/607858043.db2.gz GKVKYASHTRVORW-IBGZPJMESA-N 1 0 379.464 2.648 20 0 GFADRO OC[C@@H](C1CC1)[N@H+](CCCOc1ccc(-c2nn[nH]n2)cc1)Cc1ccccc1 ZINC000826506710 607858407 /nfs/dbraw/zinc/85/84/07/607858407.db2.gz ALLADXYQGOXDMZ-NRFANRHFSA-N 1 0 393.491 2.909 20 0 GFADRO CC[C@H]([NH2+]Cc1ccc(-c2nn[nH]n2)cc1)[C@H](c1ccc(C)cc1)n1cncn1 ZINC000825142562 607911504 /nfs/dbraw/zinc/91/15/04/607911504.db2.gz SPWFLFAQZMVNHA-PMACEKPBSA-N 1 0 388.479 2.924 20 0 GFADRO CCS[C@@H]1CC[C@@H]([N@H+](C)Cc2cccc(C(=O)OC)c2-c2nn[nH]n2)C1 ZINC000825669462 607923770 /nfs/dbraw/zinc/92/37/70/607923770.db2.gz YGKGRAYURPJANN-ZIAGYGMSSA-N 1 0 375.498 2.759 20 0 GFADRO C[C@@H](SCC[NH+](C)C)C(=O)Nc1sc2c(c1-c1nn[nH]n1)CCCCC2 ZINC000824757467 607932323 /nfs/dbraw/zinc/93/23/23/607932323.db2.gz XORKUKCWPIMWIS-LLVKDONJSA-N 1 0 394.570 2.819 20 0 GFADRO CN(Cc1ccccc1)CC(C)(C)[NH2+]CCOc1cccc(-c2nn[nH]n2)c1 ZINC000825980559 607957248 /nfs/dbraw/zinc/95/72/48/607957248.db2.gz FHXRTAAFBVQVIT-UHFFFAOYSA-N 1 0 380.496 2.746 20 0 GFADRO C[C@@H]1C[N@@H+](CCCNc2ccc(-c3nn[nH]n3)cc2Br)C[C@H](C)O1 ZINC000824983945 607988398 /nfs/dbraw/zinc/98/83/98/607988398.db2.gz DMQWJOYHKDYUSW-TXEJJXNPSA-N 1 0 395.305 2.540 20 0 GFADRO CCOC(=O)C(F)(F)[C@@H]1CC[C@H]([NH2+][C@H](C)c2cccc(-c3nn[nH]n3)c2)C1 ZINC000825493914 608012035 /nfs/dbraw/zinc/01/20/35/608012035.db2.gz QLJWGMFIXJIERT-DFBGVHRSSA-N 1 0 379.411 2.884 20 0 GFADRO COc1ccc2c(c1)CC[N@@H+](CCCOc1ccc(-c3nn[nH]n3)cc1)CC2 ZINC000826213016 608038067 /nfs/dbraw/zinc/03/80/67/608038067.db2.gz IQLIXFJDLAIRPY-UHFFFAOYSA-N 1 0 379.464 2.745 20 0 GFADRO COc1ccc([C@@](C)(O)[C@@H]2CCC[N@@H+]2Cc2ccccc2-c2nn[nH]n2)cc1 ZINC000826188131 608064559 /nfs/dbraw/zinc/06/45/59/608064559.db2.gz OGVXEQHSQWDGSS-PZJWPPBQSA-N 1 0 379.464 2.747 20 0 GFADRO COc1ccc(C[C@@H](C)C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)cc1OC ZINC000826191739 608101938 /nfs/dbraw/zinc/10/19/38/608101938.db2.gz OOSOYCUVTMZWBW-CYBMUJFWSA-N 1 0 385.443 2.991 20 0 GFADRO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2C[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C[C@@H]21 ZINC000824109850 608129424 /nfs/dbraw/zinc/12/94/24/608129424.db2.gz XAXBXVATRXUHBB-FGTMMUONSA-N 1 0 398.511 2.992 20 0 GFADRO Fc1ccc(-c2noc(CCC[NH2+]Cc3ccc(-c4nn[nH]n4)cc3)n2)cc1 ZINC000826373542 608134970 /nfs/dbraw/zinc/13/49/70/608134970.db2.gz QDZKFAFHIWVECN-UHFFFAOYSA-N 1 0 379.399 2.778 20 0 GFADRO CC[N@H+](CCC1CCN(c2nnc(C)c(C)c2-c2nn[nH]n2)CC1)CC1CC1 ZINC000825419660 608197626 /nfs/dbraw/zinc/19/76/26/608197626.db2.gz QPJKLLJLIBBPNW-UHFFFAOYSA-N 1 0 384.532 2.612 20 0 GFADRO FC(F)(F)c1ccc(O[C@@H]2CC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C2)nc1 ZINC000826369354 608268992 /nfs/dbraw/zinc/26/89/92/608268992.db2.gz YZCZYUDOKMMILO-OAHLLOKOSA-N 1 0 390.369 2.934 20 0 GFADRO c1csc(CC[NH+]2CCN(c3nc4c(cc3-c3nn[nH]n3)CCCC4)CC2)c1 ZINC000826526009 608277629 /nfs/dbraw/zinc/27/76/29/608277629.db2.gz HYMNNPBLVFOWQR-UHFFFAOYSA-N 1 0 395.536 2.567 20 0 GFADRO C[C@H](C[C@@H](C)[NH2+]CCOc1ccc(-c2nn[nH]n2)cc1)NC(=O)OC(C)(C)C ZINC000824390529 608279605 /nfs/dbraw/zinc/27/96/05/608279605.db2.gz AUWRKKUSQZJAQJ-ZIAGYGMSSA-N 1 0 390.488 2.527 20 0 GFADRO CC[C@H]([NH2+]CCOc1ccc(-c2nn[nH]n2)cc1)c1ccc2c(c1)OCCO2 ZINC000825141449 608281545 /nfs/dbraw/zinc/28/15/45/608281545.db2.gz OQIIXUVGUNHBOQ-KRWDZBQOSA-N 1 0 381.436 2.758 20 0 GFADRO COc1ccc(C[NH2+][C@H](C)c2ccc(NC(C)=O)cc2OC)cc1-c1nn[nH]n1 ZINC000826202355 608286855 /nfs/dbraw/zinc/28/68/55/608286855.db2.gz XTDQLNSLHMYOQD-GFCCVEGCSA-N 1 0 396.451 2.693 20 0 GFADRO C[C@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000824966431 608311314 /nfs/dbraw/zinc/31/13/14/608311314.db2.gz BAWHPOVOCWQKFU-IRXDYDNUSA-N 1 0 390.491 2.531 20 0 GFADRO Cc1nn(-c2ccccc2)c(CN(C)CC[C@@H]2CCCC[N@@H+]2C)c1-c1nn[nH]n1 ZINC000826331937 608315326 /nfs/dbraw/zinc/31/53/26/608315326.db2.gz DUYBOLMLGVUFRO-KRWDZBQOSA-N 1 0 394.527 2.667 20 0 GFADRO COc1cc(-c2nn[nH]n2)ccc1C[N@@H+]1CCC[C@H]1c1cccc2c1OCCO2 ZINC000826168858 608358140 /nfs/dbraw/zinc/35/81/40/608358140.db2.gz ASIGOLCDOHYBPI-KRWDZBQOSA-N 1 0 393.447 2.984 20 0 GFADRO COc1cc(-c2nn[nH]n2)ccc1CN(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000826167428 608372231 /nfs/dbraw/zinc/37/22/31/608372231.db2.gz CZXJPLUPKGYSAI-UHFFFAOYSA-N 1 0 392.507 2.972 20 0 GFADRO COc1cc(-c2nn[nH]n2)ccc1C[N@@H+]1CCc2ccc(C(C)=O)cc2CC1 ZINC000826170178 608375127 /nfs/dbraw/zinc/37/51/27/608375127.db2.gz QXCJNLAMCCRIMS-UHFFFAOYSA-N 1 0 377.448 2.679 20 0 GFADRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNc2ccc(-c3nn[nH]n3)nn2)C1 ZINC000824875047 608399550 /nfs/dbraw/zinc/39/95/50/608399550.db2.gz HUPUSXACWSQWTP-GASCZTMLSA-N 1 0 378.484 2.747 20 0 GFADRO C[N@H+](Cc1cccc(-c2nn[nH]n2)c1F)C1CCN(C(=O)c2ccccc2)CC1 ZINC000825976212 608406320 /nfs/dbraw/zinc/40/63/20/608406320.db2.gz GYUDVYBXTOERHX-UHFFFAOYSA-N 1 0 394.454 2.742 20 0 GFADRO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ccc(-c2nn[nH]n2)cc1OC(F)F ZINC000825219445 608407426 /nfs/dbraw/zinc/40/74/26/608407426.db2.gz JPJZLLGBXKGNQY-CABCVRRESA-N 1 0 378.427 2.527 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@@H+]1Cc1cccc(-c2nn[nH]n2)c1F ZINC000824892775 608411206 /nfs/dbraw/zinc/41/12/06/608411206.db2.gz MNZJKHVYJGVPLP-OCCSQVGLSA-N 1 0 390.463 2.883 20 0 GFADRO COc1ccc([C@@](C)(O)[C@H]2CCC[N@@H+]2Cc2cccc(-c3nn[nH]n3)c2F)cc1 ZINC000826188070 608418578 /nfs/dbraw/zinc/41/85/78/608418578.db2.gz MVFMDXGNNIFANN-WIYYLYMNSA-N 1 0 397.454 2.887 20 0 GFADRO COc1cccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2oc(C)c(C)c2-c2nn[nH]n2)c1 ZINC000826214418 608432260 /nfs/dbraw/zinc/43/22/60/608432260.db2.gz LNCNJWDTTOYFFV-VXGBXAGGSA-N 1 0 384.440 2.763 20 0 GFADRO OCC[C@H]([NH2+]Cc1ccc(-c2nn[nH]n2)cc1OC(F)F)c1ccccc1 ZINC000826509423 608433003 /nfs/dbraw/zinc/43/30/03/608433003.db2.gz VLJDVWOGKXYSSF-HNNXBMFYSA-N 1 0 375.379 2.681 20 0 GFADRO CCOc1ccccc1[C@@H](C)[NH2+]CCC(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000825653334 608438107 /nfs/dbraw/zinc/43/81/07/608438107.db2.gz AUOVXCAOLQIEHF-CQSZACIVSA-N 1 0 380.452 2.945 20 0 GFADRO CC(C)Oc1ccccc1[C@H](C)[NH2+]C[C@@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000824334481 608452911 /nfs/dbraw/zinc/45/29/11/608452911.db2.gz VNHGLGFKBNSARG-DOTOQJQBSA-N 1 0 397.479 2.744 20 0 GFADRO COc1ccc(F)cc1[C@@H](C)[NH2+]CCC(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000826209209 608460172 /nfs/dbraw/zinc/46/01/72/608460172.db2.gz QYFVGBFZXSGVBD-GFCCVEGCSA-N 1 0 384.415 2.694 20 0 GFADRO C[C@@H]([NH2+]CC(=O)N(C)c1nc2ccccc2s1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824553455 608460457 /nfs/dbraw/zinc/46/04/57/608460457.db2.gz BQONQPRXORHWDQ-GFCCVEGCSA-N 1 0 393.476 2.790 20 0 GFADRO C[C@@H]([NH2+]Cc1ccc(S(=O)(=O)C(F)F)cc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824618891 608462867 /nfs/dbraw/zinc/46/28/67/608462867.db2.gz RRVGLMWKUCHSGN-LLVKDONJSA-N 1 0 393.419 2.714 20 0 GFADRO CC(C)Oc1cccc(CNC(=O)C[NH2+][C@H](C)c2ccc(-c3nn[nH]n3)cc2)c1 ZINC000824334171 608463706 /nfs/dbraw/zinc/46/37/06/608463706.db2.gz QCVSIKNXSKANEE-OAHLLOKOSA-N 1 0 394.479 2.621 20 0 GFADRO COc1ccccc1[C@H](C)N(C)C(=O)C[NH2+][C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000826219107 608466005 /nfs/dbraw/zinc/46/60/05/608466005.db2.gz TUMVUIFVBWWWBW-CABCVRRESA-N 1 0 394.479 2.746 20 0 GFADRO Cc1cccc(OC[C@@H](O)C[N@H+]2CC=C(c3ccc(-c4nn[nH]n4)cc3)CC2)c1 ZINC000826300546 608466322 /nfs/dbraw/zinc/46/63/22/608466322.db2.gz YTIHRBHCFRHPSX-FQEVSTJZSA-N 1 0 391.475 2.704 20 0 GFADRO CCOc1cccc([C@H](C)[NH2+]CCC(=O)Nc2cccc(-c3nn[nH]n3)c2)c1 ZINC000825649020 608471561 /nfs/dbraw/zinc/47/15/61/608471561.db2.gz JMDFQRQVDPQTNP-AWEZNQCLSA-N 1 0 380.452 2.945 20 0 GFADRO CCOc1cccc([C@@H](C)[NH2+]CC(=O)Nc2oc(C)c(C)c2-c2nn[nH]n2)c1 ZINC000825648867 608471569 /nfs/dbraw/zinc/47/15/69/608471569.db2.gz FDCCEQZLXKTEAL-GFCCVEGCSA-N 1 0 384.440 2.765 20 0 GFADRO C[C@@H]([NH2+]Cc1cccc(-c2nn[nH]n2)c1F)c1cccc(N2CCOC2=O)c1 ZINC000824618192 608474148 /nfs/dbraw/zinc/47/41/48/608474148.db2.gz MWBAVYGHMGPJTN-GFCCVEGCSA-N 1 0 382.399 2.813 20 0 GFADRO CCN(Cc1ccccc1)C(=O)[C@H](C)[NH2+][C@H](C)c1cccc(-c2nn[nH]n2)c1 ZINC000825439849 608482513 /nfs/dbraw/zinc/48/25/13/608482513.db2.gz QNTFOTJPJIGWTO-CVEARBPZSA-N 1 0 378.480 2.955 20 0 GFADRO Cc1cc2ncn(C[C@H](O)C[NH2+][C@@H](C)c3cccc(-c4nn[nH]n4)c3)c2cc1C ZINC000826272871 608485410 /nfs/dbraw/zinc/48/54/10/608485410.db2.gz FKQYJWOXVNFBDQ-MAUKXSAKSA-N 1 0 391.479 2.545 20 0 GFADRO c1cc2c(cc1-c1nn[nH]n1)CCC[C@H]2[NH2+]CC1(N2CCOCC2)CCCCC1 ZINC000826518409 608497697 /nfs/dbraw/zinc/49/76/97/608497697.db2.gz MSYJBWYVIXGCML-HXUWFJFHSA-N 1 0 396.539 2.869 20 0 GFADRO OC[C@@H](C[NH2+][C@@H]1CCCc2cc(-c3nn[nH]n3)ccc21)Cc1ccc(F)cc1 ZINC000826507515 608504754 /nfs/dbraw/zinc/50/47/54/608504754.db2.gz QBKVUPCOEHUOBX-FOIQADDNSA-N 1 0 381.455 2.824 20 0 GFADRO c1nc2ccc(-c3nn[nH]n3)cn2c1C[NH+]1CCC(OCc2ccccc2)CC1 ZINC000826521524 608507795 /nfs/dbraw/zinc/50/77/95/608507795.db2.gz QCZNIGUNQFISHZ-UHFFFAOYSA-N 1 0 389.463 2.696 20 0 GFADRO Fc1cccnc1N1CC[C@H]([NH2+][C@H]2CCCc3cc(-c4nn[nH]n4)ccc32)C1 ZINC000826378312 608516771 /nfs/dbraw/zinc/51/67/71/608516771.db2.gz DKEIAHFKLGCENR-YJBOKZPZSA-N 1 0 379.443 2.647 20 0 GFADRO O=S(=O)(CC[NH2+][C@@H](CC1CC1)c1ccccc1)c1cccc(-c2nn[nH]n2)c1 ZINC000826484740 608528325 /nfs/dbraw/zinc/52/83/25/608528325.db2.gz NVUBQFCUJCDBLI-IBGZPJMESA-N 1 0 397.504 2.771 20 0 GFADRO O[C@@H](C[NH2+]C1(c2cccc(-c3nn[nH]n3)c2)CC1)COCc1ccccc1Cl ZINC000826503250 608533274 /nfs/dbraw/zinc/53/32/74/608533274.db2.gz UFVKNJRWNLVQSU-KRWDZBQOSA-N 1 0 399.882 2.677 20 0 GFADRO CC[C@@H]1Oc2cc([C@@H](C)[NH2+]Cc3ccc(F)c(-c4nn[nH]n4)c3)ccc2NC1=O ZINC000825219665 608538180 /nfs/dbraw/zinc/53/81/80/608538180.db2.gz LITRLXZYTKJROV-DIFFPNOSSA-N 1 0 396.426 2.966 20 0 GFADRO C[C@H](CCc1ccccc1)C[NH+]1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1 ZINC000824406545 608580168 /nfs/dbraw/zinc/58/01/68/608580168.db2.gz MOIFDCVNIKGKFM-QGZVFWFLSA-N 1 0 377.496 2.653 20 0 GFADRO Brc1cnn(C2CC[NH+](Cc3ccc(-c4nn[nH]n4)s3)CC2)c1 ZINC000823831808 608696976 /nfs/dbraw/zinc/69/69/76/608696976.db2.gz DMGPOHLWEWWLGW-UHFFFAOYSA-N 1 0 394.302 2.724 20 0 GFADRO CCCCO[C@@H]1C[C@@H]([N@H+](C)Cc2cnc3ccc(-c4nn[nH]n4)cn23)C1(C)C ZINC000825291384 608750328 /nfs/dbraw/zinc/75/03/28/608750328.db2.gz QMPDPFWKIRKPOA-IAGOWNOFSA-N 1 0 383.500 2.930 20 0 GFADRO FC(F)(F)c1ccc(C[NH+]2CCN(c3cnccc3-c3nn[nH]n3)CC2)cc1 ZINC000826368210 608769545 /nfs/dbraw/zinc/76/95/45/608769545.db2.gz GWYVGNHQIJIVPG-UHFFFAOYSA-N 1 0 389.385 2.603 20 0 GFADRO CC[C@H]1C[N@H+](Cc2cccc(OCc3ccccc3-c3nn[nH]n3)c2)C[C@@H]1O ZINC000825210505 608849540 /nfs/dbraw/zinc/84/95/40/608849540.db2.gz HPYDVPBVGXRVNY-JXFKEZNVSA-N 1 0 379.464 2.648 20 0 GFADRO COC1CCN(C(C)(C)C[NH2+][C@@H](C)c2ccc(-c3nn[nH]n3)c(F)c2)CC1 ZINC000826147455 609141760 /nfs/dbraw/zinc/14/17/60/609141760.db2.gz YCDOMWWENLGPKZ-ZDUSSCGKSA-N 1 0 376.480 2.546 20 0 GFADRO C[C@@H]([NH2+][C@H]1CCN(C(=O)C2CCCCC2)C1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824547653 609149855 /nfs/dbraw/zinc/14/98/55/609149855.db2.gz RCJVWCUMUIVRBQ-CJNGLKHVSA-N 1 0 386.475 2.838 20 0 GFADRO c1cc(NC2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)c2c(c1)OCCO2 ZINC000826517082 609181492 /nfs/dbraw/zinc/18/14/92/609181492.db2.gz PJZWLMWFJFEDJI-UHFFFAOYSA-N 1 0 392.463 2.714 20 0 GFADRO CC(C)(C)[NH+]1CCC(Nc2ccc(N3CCC(O)CC3)c(-c3nn[nH]n3)c2)CC1 ZINC000824094385 609241787 /nfs/dbraw/zinc/24/17/87/609241787.db2.gz SCRZJBHWIFSWGR-UHFFFAOYSA-N 1 0 399.543 2.503 20 0 GFADRO C[C@H](CC(=O)N(C)c1ccccc1)[NH2+]C1(c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000824385691 609249428 /nfs/dbraw/zinc/24/94/28/609249428.db2.gz ZCLSNKGEVSLCBA-OAHLLOKOSA-N 1 0 376.464 2.887 20 0 GFADRO C[C@@H]([NH2+]CC(=O)Nc1sc2c(c1-c1nn[nH]n1)CCCCC2)c1cccnc1 ZINC000824562050 609283117 /nfs/dbraw/zinc/28/31/17/609283117.db2.gz CDKHOCLCOMILLF-GFCCVEGCSA-N 1 0 397.508 2.881 20 0 GFADRO COc1cc(-c2nn[nH]n2)ccc1OCC[N@H+](C)Cc1cc(F)c(F)c(F)c1 ZINC000826175344 609283177 /nfs/dbraw/zinc/28/31/77/609283177.db2.gz BEQMFSAPGKJYMM-UHFFFAOYSA-N 1 0 393.369 2.803 20 0 GFADRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)c2ccc(Cl)c(-c3nn[nH]n3)c2)C1 ZINC000824877604 609287780 /nfs/dbraw/zinc/28/77/80/609287780.db2.gz ZDSQLIXYDHHXRF-STQMWFEESA-N 1 0 376.892 2.618 20 0 GFADRO C[C@H](NC(=O)c1c(F)cc(-c2nn[nH]n2)cc1F)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000824506222 609291835 /nfs/dbraw/zinc/29/18/35/609291835.db2.gz MSZODLTWBSSBGU-RYUDHWBXSA-N 1 0 390.438 2.528 20 0 GFADRO Brc1cc(-c2nn[nH]n2)ccc1C[N@@H+]1CCC[C@H]2COCC[C@H]21 ZINC000823821769 609363626 /nfs/dbraw/zinc/36/36/26/609363626.db2.gz ZSIVIMVFBVTEPD-DZGCQCFKSA-N 1 0 378.274 2.630 20 0 GFADRO Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)n1C[N@H+]1CC[C@@]2(CC[C@@H](C)C2)C1 ZINC000826335073 609373712 /nfs/dbraw/zinc/37/37/12/609373712.db2.gz XCVIVJHODIGQMT-JLTOFOAXSA-N 1 0 378.484 2.903 20 0 GFADRO CCOc1cccc(C[NH2+][C@@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)c1 ZINC000825649710 609412876 /nfs/dbraw/zinc/41/28/76/609412876.db2.gz VSNFGVNWTKWTQQ-LJQANCHMSA-N 1 0 392.463 2.551 20 0 GFADRO Cc1ccc(C[NH2+][C@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)cc1F ZINC000826288449 609413536 /nfs/dbraw/zinc/41/35/36/609413536.db2.gz HPIMNGPZVUYQNJ-SFHVURJKSA-N 1 0 380.427 2.599 20 0 GFADRO C[C@@H](NC(=O)c1ccc(-c2nn[nH]n2)s1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000824514190 609455921 /nfs/dbraw/zinc/45/59/21/609455921.db2.gz MWPDSXDYKJVPDV-HIFRSBDPSA-N 1 0 382.493 2.569 20 0 GFADRO C[C@H](C[N@H+](C)Cn1ccc(-c2ccc(-c3nn[nH]n3)cc2)n1)c1nccs1 ZINC000824412767 609501873 /nfs/dbraw/zinc/50/18/73/609501873.db2.gz FLZYQCNZPOHKNL-CYBMUJFWSA-N 1 0 380.481 2.880 20 0 GFADRO COc1ccccc1[C@@H](CNc1nccc(C)c1-c1nn[nH]n1)[NH+]1CCCC1 ZINC000826219235 609520211 /nfs/dbraw/zinc/52/02/11/609520211.db2.gz WILGROCLZOTYJZ-MRXNPFEDSA-N 1 0 379.468 2.828 20 0 GFADRO Cc1c(Cl)cnc(N(CC[NH+](C)C)Cc2cccc(F)c2)c1-c1nn[nH]n1 ZINC000826237159 609574524 /nfs/dbraw/zinc/57/45/24/609574524.db2.gz QGJADGXKTODWDB-UHFFFAOYSA-N 1 0 389.866 2.931 20 0 GFADRO c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H](Nc4ncccc4-c4nn[nH]n4)[C@@H]3C2)cc1 ZINC000826521460 609595424 /nfs/dbraw/zinc/59/54/24/609595424.db2.gz NBUZEHHTAUVICM-QXAKKESOSA-N 1 0 375.480 2.974 20 0 GFADRO C[C@@H](Oc1ccc(Br)cc1)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000522720627 650626945 /nfs/dbraw/zinc/62/69/45/650626945.db2.gz CHOBTSNBSMQIBG-GFCCVEGCSA-N 1 0 381.274 2.613 20 0 GFADRO CC(C)S(=O)(=O)CC[N@@H+]1C[C@H](CNC(=O)OC(C)(C)C)[C@H](C)C[C@H]1C ZINC000817293348 660189269 /nfs/dbraw/zinc/18/92/69/660189269.db2.gz PQCHODPKMCWXBH-OAGGEKHMSA-N 1 0 376.563 2.681 20 0 GFADRO C[C@H](C[N@@H+]1C[C@H](CNC(=O)OC(C)(C)C)[C@H](C)C[C@H]1C)CS(C)(=O)=O ZINC000817294121 660189264 /nfs/dbraw/zinc/18/92/64/660189264.db2.gz TVHABGKUGMOZPW-FPCVCCKLSA-N 1 0 376.563 2.538 20 0 GFADRO CCN1CCC([N@@H+]2CCCN(Cn3nc(C)c(Br)c3C)CC2)CC1 ZINC000817374579 660192365 /nfs/dbraw/zinc/19/23/65/660192365.db2.gz XRYMZDHZAKHWBU-UHFFFAOYSA-N 1 0 398.393 2.712 20 0 GFADRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)Nc1cccc(C2SCCS2)c1 ZINC000817400603 660194010 /nfs/dbraw/zinc/19/40/10/660194010.db2.gz BBEWFEYCYLMKNY-OAHLLOKOSA-N 1 0 379.551 2.656 20 0 GFADRO CSc1nc2ccc(NC(=O)C(=O)N(C)C[C@H]3CCC[N@@H+]3C)cc2s1 ZINC000817401072 660194015 /nfs/dbraw/zinc/19/40/15/660194015.db2.gz IJYGUXDXHHUIAJ-GFCCVEGCSA-N 1 0 378.523 2.509 20 0 GFADRO C[NH+](C)C1CCC(NC(=O)CCN2C(=S)N=NC2c2cccs2)CC1 ZINC000817770575 660208294 /nfs/dbraw/zinc/20/82/94/660208294.db2.gz XOTQPNCCCNQTMK-UHFFFAOYSA-N 1 0 379.555 2.674 20 0 GFADRO O=C(NCCc1ccc(Br)cc1F)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000817936572 660212206 /nfs/dbraw/zinc/21/22/06/660212206.db2.gz UMERRUNTBSTODU-OAHLLOKOSA-N 1 0 395.276 2.682 20 0 GFADRO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000818008557 660213358 /nfs/dbraw/zinc/21/33/58/660213358.db2.gz ICFAJMIUEJFWHF-PWSUYJOCSA-N 1 0 393.281 2.921 20 0 GFADRO Cc1ccc(-n2nc(Br)cc2C(=O)N2CC[C@@]3(CCC[NH2+]3)C2)cc1 ZINC000818018870 660213951 /nfs/dbraw/zinc/21/39/51/660213951.db2.gz UOCXMFLOMWIOEQ-SFHVURJKSA-N 1 0 389.297 2.911 20 0 GFADRO Cn1cc([C@@H]2CN(Cc3nc4ccc(Br)cc4s3)C[C@H]2[NH3+])cn1 ZINC000818431609 660226143 /nfs/dbraw/zinc/22/61/43/660226143.db2.gz PWWKNSRFPIVKBQ-QWHCGFSZSA-N 1 0 392.326 2.719 20 0 GFADRO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)NCC1CC[NH2+]CC1 ZINC000818559724 660228804 /nfs/dbraw/zinc/22/88/04/660228804.db2.gz KEPAVFLEJSJMHM-UHFFFAOYSA-N 1 0 379.254 2.593 20 0 GFADRO CCS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC3(CC[NH2+]CC3)CC2)c1 ZINC000818614104 660230069 /nfs/dbraw/zinc/23/00/69/660230069.db2.gz QYMDJPFXCNTNOV-UHFFFAOYSA-N 1 0 384.929 2.739 20 0 GFADRO O[C@H](C[NH2+]CCc1nnc2n1CCCCC2)c1ccc(F)c(Br)c1 ZINC000818946396 660236709 /nfs/dbraw/zinc/23/67/09/660236709.db2.gz LYSMDCULDDKVRE-OAHLLOKOSA-N 1 0 397.292 2.772 20 0 GFADRO COc1cc(NC(=O)CC[NH2+]C[C@H]2CC2(Cl)Cl)cc(OC)c1OC ZINC000818948905 660237224 /nfs/dbraw/zinc/23/72/24/660237224.db2.gz IMRRLMMTEVLNHH-SNVBAGLBSA-N 1 0 377.268 2.824 20 0 GFADRO O[C@H](C[NH2+]C[C@@H]1CCN(CC(F)(F)F)C1)c1ccccc1Br ZINC000818973511 660239773 /nfs/dbraw/zinc/23/97/73/660239773.db2.gz YCEHLYHQQMRNFM-SMDDNHRTSA-N 1 0 381.236 2.956 20 0 GFADRO O[C@@H](C[NH2+]C[C@H]1CCN(CC(F)(F)F)C1)c1ccccc1Br ZINC000818973510 660239793 /nfs/dbraw/zinc/23/97/93/660239793.db2.gz YCEHLYHQQMRNFM-RISCZKNCSA-N 1 0 381.236 2.956 20 0 GFADRO CC(C)(C)OC(=O)NCC[NH2+]C[C@H](O)c1ccc(F)c(Br)c1 ZINC000818982329 660241332 /nfs/dbraw/zinc/24/13/32/660241332.db2.gz KQYYEKHEWLCEAF-ZDUSSCGKSA-N 1 0 377.254 2.736 20 0 GFADRO O[C@H](C[NH2+][C@@H]1CCN(CC(F)(F)F)C1)c1ccc(F)c(Br)c1 ZINC000818987084 660241555 /nfs/dbraw/zinc/24/15/55/660241555.db2.gz SFWMCQVHQGZXHG-ZWNOBZJWSA-N 1 0 385.199 2.848 20 0 GFADRO CC(C)(C)OC(=O)NCC[C@@H](O)C[NH2+]CCc1ccccc1Br ZINC000818986268 660241717 /nfs/dbraw/zinc/24/17/17/660241717.db2.gz JTAVJNJJQDECCO-CQSZACIVSA-N 1 0 387.318 2.857 20 0 GFADRO CC(C)N1C[C@@H]([NH2+]C[C@@](C)(O)c2ccc(Br)cc2Cl)CC1=O ZINC000818996472 660242445 /nfs/dbraw/zinc/24/24/45/660242445.db2.gz RFFXEPMSBJXROV-BLLLJJGKSA-N 1 0 389.721 2.909 20 0 GFADRO O=C(C[NH2+]C[C@H](O)c1ccc(F)c(Br)c1)N1CCc2ccccc21 ZINC000818999433 660242688 /nfs/dbraw/zinc/24/26/88/660242688.db2.gz RHZWKKNZDMYMAM-KRWDZBQOSA-N 1 0 393.256 2.801 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S(=O)(=O)CC[NH2+]C[C@@H](C)C(C)(C)C ZINC000819075664 660245632 /nfs/dbraw/zinc/24/56/32/660245632.db2.gz OSBATPSCFAFLNL-OAHLLOKOSA-N 1 0 389.583 2.916 20 0 GFADRO Cc1ccc(Cl)c(OC[C@@H](O)C[NH2+]CC[S@@](=O)Cc2ccccc2)c1 ZINC000819044435 660244337 /nfs/dbraw/zinc/24/43/37/660244337.db2.gz ZHDXUELVTVKSPD-SSOJOUAXSA-N 1 0 381.925 2.927 20 0 GFADRO CC(C)(C)[S@@](=O)CC[NH2+]CCC(=O)Nc1cccc(Br)c1 ZINC000819055159 660244821 /nfs/dbraw/zinc/24/48/21/660244821.db2.gz CWUQRNRDEIQRJT-NRFANRHFSA-N 1 0 375.332 2.915 20 0 GFADRO O[C@H](C[NH2+]C1CCN(C[C@H]2CCCO2)CC1)c1ccc(Br)cc1 ZINC000819062304 660244992 /nfs/dbraw/zinc/24/49/92/660244992.db2.gz PPWYETNSQFVASD-QZTJIDSGSA-N 1 0 383.330 2.716 20 0 GFADRO CN1CCC[C@@H](C[NH2+]CCS(C)(=O)=O)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000819082907 660245842 /nfs/dbraw/zinc/24/58/42/660245842.db2.gz XOUVGBUYGQPWKW-GOEBONIOSA-N 1 0 378.460 2.723 20 0 GFADRO CNC(=O)c1cccc(CC[NH2+]C[C@@H](O)c2cccc(Br)c2)c1 ZINC000819096193 660246371 /nfs/dbraw/zinc/24/63/71/660246371.db2.gz YXNHQDLXJDVHIE-QGZVFWFLSA-N 1 0 377.282 2.674 20 0 GFADRO Cn1cc(N2CCC[C@H]([NH2+]C[C@@H](O)c3ccc(F)c(Br)c3)C2)cn1 ZINC000819105444 660246741 /nfs/dbraw/zinc/24/67/41/660246741.db2.gz MAJYZTDZZQFTOG-SUMWQHHRSA-N 1 0 397.292 2.614 20 0 GFADRO C[C@H](C[NH2+]C[C@@H](O)c1ccc(S(C)(=O)=O)cc1)Oc1ccccc1Cl ZINC000819115107 660246983 /nfs/dbraw/zinc/24/69/83/660246983.db2.gz CQZOKLOSHWZIPC-CXAGYDPISA-N 1 0 383.897 2.834 20 0 GFADRO CC(C)(C)OC(=O)NC[C@](C)(O)C[NH2+]CCc1nc(C(F)(F)F)cs1 ZINC000819123952 660247296 /nfs/dbraw/zinc/24/72/96/660247296.db2.gz HRQQOFBWXMUPKV-CQSZACIVSA-N 1 0 383.436 2.570 20 0 GFADRO C[C@](O)(C[NH2+][C@H]1CC(=O)N(C2CC2)C1)c1ccc(Br)cc1Cl ZINC000819129588 660247450 /nfs/dbraw/zinc/24/74/50/660247450.db2.gz ADBJGJCSXZROGL-ZBEGNZNMSA-N 1 0 387.705 2.663 20 0 GFADRO C[C@@](O)(C[NH2+]Cc1ccc(C(N)=O)nc1)c1ccc(Br)cc1Cl ZINC000819143354 660247841 /nfs/dbraw/zinc/24/78/41/660247841.db2.gz BNJXMQKZEIWBMD-MRXNPFEDSA-N 1 0 398.688 2.594 20 0 GFADRO O[C@H](C[NH2+][C@H]1CCOC2(CCOCC2)C1)c1ccc(F)c(Br)c1 ZINC000819177824 660249076 /nfs/dbraw/zinc/24/90/76/660249076.db2.gz WOLHJLROADHDSF-XJKSGUPXSA-N 1 0 388.277 2.939 20 0 GFADRO O=S(=O)(NCC[NH2+]C[C@@H](O)c1cccc(Cl)c1)c1ccc(Cl)s1 ZINC000819186862 660249197 /nfs/dbraw/zinc/24/91/97/660249197.db2.gz XJQLNOMIGGEQCE-GFCCVEGCSA-N 1 0 395.333 2.656 20 0 GFADRO Cc1cc(C)cc([C@H](O)C[NH2+]CCNS(=O)(=O)c2ccc(Cl)s2)c1 ZINC000819186070 660249372 /nfs/dbraw/zinc/24/93/72/660249372.db2.gz NYAHAGUFNNDTIP-CQSZACIVSA-N 1 0 388.942 2.620 20 0 GFADRO CC(C)(C)OC(=O)CS(=O)(=O)CC[NH2+]CC1(c2ccccc2Cl)CC1 ZINC000819197274 660249820 /nfs/dbraw/zinc/24/98/20/660249820.db2.gz YXTNOYSSVBZWJC-UHFFFAOYSA-N 1 0 387.929 2.718 20 0 GFADRO O[C@H](C[NH2+][C@H]1CCOc2c(Cl)c(Cl)ccc21)COC1CCOCC1 ZINC000819261170 660252308 /nfs/dbraw/zinc/25/23/08/660252308.db2.gz ARAIEDJBURLCEX-ABAIWWIYSA-N 1 0 376.280 2.963 20 0 GFADRO CON(C)C(=O)CC[NH2+][C@@H](C)CCc1ccc(I)cc1 ZINC000819277783 660253331 /nfs/dbraw/zinc/25/33/31/660253331.db2.gz OPTVLFJEBSHSFR-LBPRGKRZSA-N 1 0 390.265 2.612 20 0 GFADRO COc1ccc(C[NH2+]C[C@H](O)c2ccc(F)c(Br)c2)c(OC)n1 ZINC000819324103 660254921 /nfs/dbraw/zinc/25/49/21/660254921.db2.gz UMERKVCZRJHCFG-AWEZNQCLSA-N 1 0 385.233 2.824 20 0 GFADRO CS(=O)(=O)c1ccccc1C[NH2+]C[C@H](O)c1ccc(Br)cc1 ZINC000819369501 660256997 /nfs/dbraw/zinc/25/69/97/660256997.db2.gz XJGCLNWPJOEAHJ-HNNXBMFYSA-N 1 0 384.295 2.676 20 0 GFADRO CS(=O)(=O)c1ccccc1C[NH2+]C[C@H](O)c1ccccc1Br ZINC000819369638 660257104 /nfs/dbraw/zinc/25/71/04/660257104.db2.gz YMDLEXGVPDZOEN-HNNXBMFYSA-N 1 0 384.295 2.676 20 0 GFADRO CCS(=O)(=O)CCC[NH2+]C[C@@](C)(O)c1ccc(Br)cc1Cl ZINC000819367007 660257113 /nfs/dbraw/zinc/25/71/13/660257113.db2.gz CVGRQYBJANTLNT-CQSZACIVSA-N 1 0 398.750 2.724 20 0 GFADRO CCN1C[C@H]([NH2+]C[C@@](C)(O)c2ccc(Br)cc2Cl)CC1=O ZINC000819348341 660256115 /nfs/dbraw/zinc/25/61/15/660256115.db2.gz CDFINWWEXDMGKG-IAQYHMDHSA-N 1 0 375.694 2.520 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(C(=O)Cc3noc4ccc(Br)cc43)C[C@@H]2C1 ZINC000819537621 660262154 /nfs/dbraw/zinc/26/21/54/660262154.db2.gz OOSXPQHWCXLPFY-NEPJUHHUSA-N 1 0 378.270 2.543 20 0 GFADRO Cn1ncc(C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)c1Br ZINC000819641828 660266016 /nfs/dbraw/zinc/26/60/16/660266016.db2.gz CLEPBGSPISLKLQ-GOEBONIOSA-N 1 0 389.297 2.529 20 0 GFADRO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)c1cc(Br)cnc1Br ZINC000820557981 660297182 /nfs/dbraw/zinc/29/71/82/660297182.db2.gz JLCWSGBZQAJPIF-LDYMZIIASA-N 1 0 391.107 2.771 20 0 GFADRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)c3cc(Br)cnc3C3CC3)[C@H]2C1 ZINC000820592489 660298358 /nfs/dbraw/zinc/29/83/58/660298358.db2.gz HCQXKRZVGQHEFN-JKSUJKDBSA-N 1 0 394.313 2.657 20 0 GFADRO O[C@@H](CN1CCC[C@H]([NH+]2CCOCC2)CC1)c1cccc(Br)c1 ZINC000821257798 660319446 /nfs/dbraw/zinc/31/94/46/660319446.db2.gz CCJOLAJRTRFQNE-ROUUACIJSA-N 1 0 383.330 2.669 20 0 GFADRO Cn1nc(Br)cc1NC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000821466670 660326818 /nfs/dbraw/zinc/32/68/18/660326818.db2.gz METLRYYIZUYRNQ-DOMZBBRYSA-N 1 0 378.274 2.750 20 0 GFADRO COc1cc(C[NH+](C)C)ccc1NC(=O)c1cc(=O)[nH]cc1Br ZINC000822191261 660341446 /nfs/dbraw/zinc/34/14/46/660341446.db2.gz UOELOXAFNFKSME-UHFFFAOYSA-N 1 0 380.242 2.872 20 0 GFADRO C[C@@H]1C[N@@H+](CCCNC(=O)[C@@H](O)c2ccc(Cl)c(Cl)c2)C[C@H](C)O1 ZINC000822312767 660342842 /nfs/dbraw/zinc/34/28/42/660342842.db2.gz FYHVQXWBYZQJQE-OZVIIMIRSA-N 1 0 375.296 2.642 20 0 GFADRO C[N@@H+]1CCC[C@@H](CCNC(=O)c2cc(Br)c3nccnc3c2)C1 ZINC000822455014 660345935 /nfs/dbraw/zinc/34/59/35/660345935.db2.gz ZCGPEYYSUBCANQ-LBPRGKRZSA-N 1 0 377.286 2.854 20 0 GFADRO CC[N@@H+]1CCCN(C(=O)C[C@@H]2C(=O)Nc3c2cccc3Br)[C@H](C)C1 ZINC000822569975 660348137 /nfs/dbraw/zinc/34/81/37/660348137.db2.gz ZSLQJISQBXBAHO-OCCSQVGLSA-N 1 0 394.313 2.818 20 0 GFADRO COc1cc(Br)c(Cc2noc([C@@H]3C[C@]34CC[NH2+]C4)n2)cc1OC ZINC000822909618 660357710 /nfs/dbraw/zinc/35/77/10/660357710.db2.gz CCYBYIFVXUCWAW-GTNSWQLSSA-N 1 0 394.269 2.907 20 0 GFADRO Brc1ccc(Cc2noc(-c3cn([C@H]4CCC[NH2+]C4)nn3)n2)s1 ZINC000822919521 660358062 /nfs/dbraw/zinc/35/80/62/660358062.db2.gz JJSNEJRYHAVAJE-VIFPVBQESA-N 1 0 395.286 2.667 20 0 GFADRO Brc1cc2c(cc1Cc1noc([C@@H]3C[C@@]34CC[NH2+]C4)n1)OCO2 ZINC000822947095 660358742 /nfs/dbraw/zinc/35/87/42/660358742.db2.gz NEUNPZGCJLVXNK-MGPLVRAMSA-N 1 0 378.226 2.619 20 0 GFADRO Cc1cc(Br)ccc1-c1noc(-c2cn([C@H]3CCC[NH2+]C3)nn2)n1 ZINC000823069292 660360923 /nfs/dbraw/zinc/36/09/23/660360923.db2.gz LUYDVBUHNALVBF-LBPRGKRZSA-N 1 0 389.257 2.991 20 0 GFADRO C[NH+](C)C1CCC(NC(=O)c2cc(Br)c3nccnc3c2)CC1 ZINC000823119249 660362455 /nfs/dbraw/zinc/36/24/55/660362455.db2.gz KFSSKFOMZIYTRD-UHFFFAOYSA-N 1 0 377.286 2.995 20 0 GFADRO Clc1ccc(OCCc2nc(N3CC[NH2+]CC3)no2)c(Br)c1 ZINC000823309890 660368106 /nfs/dbraw/zinc/36/81/06/660368106.db2.gz OHHQKVMPHHPNJU-UHFFFAOYSA-N 1 0 387.665 2.517 20 0 GFADRO CN(C)c1nc(Cl)c(C(=O)NCC2([NH+]3CCCCC3)CCOCC2)s1 ZINC000823256730 660366396 /nfs/dbraw/zinc/36/63/96/660366396.db2.gz NMTYPKHBPSUKPE-UHFFFAOYSA-N 1 0 386.949 2.627 20 0 GFADRO Cc1cc(-c2nc(N3CC[NH2+]CC3)no2)nn1-c1ccc(Cl)c(Cl)c1 ZINC000823304500 660367883 /nfs/dbraw/zinc/36/78/83/660367883.db2.gz YUMKNNKWEQVZOT-UHFFFAOYSA-N 1 0 379.251 2.947 20 0 GFADRO COC(=O)c1cc(S(=O)(=O)N[C@H](C)CCCC[NH3+])c(Cl)cc1Cl ZINC000842869548 661357808 /nfs/dbraw/zinc/35/78/08/661357808.db2.gz NMNYWBQQCGGHKI-SECBINFHSA-N 1 0 383.297 2.576 20 0 GFADRO COCC[NH+]1CCC(NC(=O)Cc2sc(SCC(C)C)nc2C)CC1 ZINC000823750766 660379413 /nfs/dbraw/zinc/37/94/13/660379413.db2.gz WHJHOUKVBWPYHT-UHFFFAOYSA-N 1 0 385.599 2.969 20 0 GFADRO CSC1(C[NH+]2CCC([C@@H]3OCC[C@H]3[N-]C(=O)C(F)(F)F)CC2)CCC1 ZINC000824820985 660402894 /nfs/dbraw/zinc/40/28/94/660402894.db2.gz SLZKHONJKNWYGX-KGLIPLIRSA-N 1 0 380.476 2.820 20 0 GFADRO C[C@@H](CCNC(=O)c1cc(Br)cnc1Br)[NH+](C)C ZINC000824958225 660406353 /nfs/dbraw/zinc/40/63/53/660406353.db2.gz SVEKNRBBGXPXIX-QMMMGPOBSA-N 1 0 379.096 2.677 20 0 GFADRO C[NH+](C)CCn1cc(NC(=O)c2ccc(C(F)(F)Br)nc2)cn1 ZINC000825083583 660410062 /nfs/dbraw/zinc/41/00/62/660410062.db2.gz HUZGTTDLFKRGQV-UHFFFAOYSA-N 1 0 388.216 2.536 20 0 GFADRO Cn1nc(Br)cc1C[NH2+][C@@H]1C[C@@H](OC(C)(C)C)[C@@H]1n1cccn1 ZINC000825117999 660411291 /nfs/dbraw/zinc/41/12/91/660411291.db2.gz NPACMUHABDGHRJ-UMVBOHGHSA-N 1 0 382.306 2.666 20 0 GFADRO Cn1nnc2cc(C[N@H+](C)C[C@H](O)c3ccccc3Br)ccc21 ZINC000825305954 660419744 /nfs/dbraw/zinc/41/97/44/660419744.db2.gz XCDWDXTVLQRIPH-KRWDZBQOSA-N 1 0 375.270 2.896 20 0 GFADRO Cc1ccccc1C[NH+]1CCC(NC(=O)c2cc(Br)n(C)n2)CC1 ZINC000825278582 660418061 /nfs/dbraw/zinc/41/80/61/660418061.db2.gz FUFVBVDNJJFJQT-UHFFFAOYSA-N 1 0 391.313 2.885 20 0 GFADRO Cn1ncc(CNc2cc(N3CCOCC3)c(Br)c[nH+]2)c1Cl ZINC000825312474 660420104 /nfs/dbraw/zinc/42/01/04/660420104.db2.gz UCHIKFJHOKYTHV-UHFFFAOYSA-N 1 0 386.681 2.680 20 0 GFADRO Cn1ccnc1[C@@H]1C[C@@H]([NH2+]Cc2nc3ccccn3c2Br)CCO1 ZINC000825325335 660420775 /nfs/dbraw/zinc/42/07/75/660420775.db2.gz BBOUUGCDSBEREB-JSGCOSHPSA-N 1 0 390.285 2.840 20 0 GFADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1c(Cl)cc(F)cc1Br ZINC000825517637 660431750 /nfs/dbraw/zinc/43/17/50/660431750.db2.gz XPDKUGHADHHJNA-QWRGUYRKSA-N 1 0 391.668 2.835 20 0 GFADRO C[NH+](C)[C@H]1C[C@@H](NC(=O)c2nc(C3CC3)ncc2Br)C12CCC2 ZINC000825519045 660431772 /nfs/dbraw/zinc/43/17/72/660431772.db2.gz ISDBRJOTQYZXTO-OLZOCXBDSA-N 1 0 379.302 2.719 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)c2cc(Br)n(C)n2)CC[N@@H+]1Cc1ccccc1 ZINC000826721441 660462130 /nfs/dbraw/zinc/46/21/30/660462130.db2.gz GHDTXCZNXUCXLS-HIFRSBDPSA-N 1 0 391.313 2.966 20 0 GFADRO C[C@@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)c1cc(Br)n(C)n1 ZINC000826586100 660458246 /nfs/dbraw/zinc/45/82/46/660458246.db2.gz SXZJSWNRQMWPNT-CQSZACIVSA-N 1 0 391.313 2.919 20 0 GFADRO C[C@]12CC[N@H+](C[C@@H]3CC4(CC4)C(=O)O3)C[C@H]1C2(Br)Br ZINC000852337594 661861371 /nfs/dbraw/zinc/86/13/71/661861371.db2.gz VQKLZEDFAYENIU-UMNHJUIQSA-N 1 0 393.119 2.910 20 0 GFADRO Cc1cc(NC(=O)c2sc(N(C)C)nc2Cl)n(C2CC[NH+](C)CC2)n1 ZINC000826928038 660472346 /nfs/dbraw/zinc/47/23/46/660472346.db2.gz CKOUZXBKSSCRST-UHFFFAOYSA-N 1 0 382.921 2.886 20 0 GFADRO Cc1cc([C@@H]([NH3+])CC(=O)N2CCCN(CC(F)(F)F)CC2)cc(Cl)n1 ZINC000826984828 660474555 /nfs/dbraw/zinc/47/45/55/660474555.db2.gz SERJLCREGUXZEA-ZDUSSCGKSA-N 1 0 378.826 2.530 20 0 GFADRO C[N@@H+]1CC[C@H]2CN(C(=O)c3ccc(I)c(F)c3)CC[C@@H]21 ZINC000827322465 660489069 /nfs/dbraw/zinc/48/90/69/660489069.db2.gz ZUJBBEVUHHOZOX-FZMZJTMJSA-N 1 0 388.224 2.597 20 0 GFADRO Cc1ccc(I)c(C(=O)N2CC[C@@H]3[C@H](CC[N@H+]3C)C2)c1 ZINC000827331170 660489712 /nfs/dbraw/zinc/48/97/12/660489712.db2.gz WZWPSTPNRVLXNB-IUODEOHRSA-N 1 0 384.261 2.766 20 0 GFADRO C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000827340042 660490006 /nfs/dbraw/zinc/49/00/06/660490006.db2.gz XGUKQBCICYSVTP-YWPYICTPSA-N 1 0 384.307 2.664 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc(=O)c4cc(Br)ccc4o3)CC[C@@H]21 ZINC000827244728 660485956 /nfs/dbraw/zinc/48/59/56/660485956.db2.gz CIBBEUSECGYOAV-RISCZKNCSA-N 1 0 391.265 2.722 20 0 GFADRO C[N@@H+]1CC[C@H]2CN(C(=O)c3cc(=O)c4cc(Br)ccc4o3)CC[C@H]21 ZINC000827244729 660485999 /nfs/dbraw/zinc/48/59/99/660485999.db2.gz CIBBEUSECGYOAV-SMDDNHRTSA-N 1 0 391.265 2.722 20 0 GFADRO Cc1c(I)cccc1C(=O)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000827302303 660488522 /nfs/dbraw/zinc/48/85/22/660488522.db2.gz UXORLCMNUGANLX-WFASDCNBSA-N 1 0 384.261 2.766 20 0 GFADRO COc1cc(Br)cc(C(=O)N2CCC(C)([NH+]3CCOCC3)CC2)c1 ZINC000827410231 660494178 /nfs/dbraw/zinc/49/41/78/660494178.db2.gz ODELJFKNKMEYOG-UHFFFAOYSA-N 1 0 397.313 2.785 20 0 GFADRO Cc1cccc(CC(=O)N2CCC([NH+]3CCN(C)CC3)CC2)c1Br ZINC000827431031 660495313 /nfs/dbraw/zinc/49/53/13/660495313.db2.gz ZYTMHCAFPRSMLI-UHFFFAOYSA-N 1 0 394.357 2.538 20 0 GFADRO CC[C@@H](C(=O)N1CC[C@@]2(C)[C@@H](C1)C2(Br)Br)[NH+](C)C ZINC000855322733 661984387 /nfs/dbraw/zinc/98/43/87/661984387.db2.gz PVLFKZCBBCCZGV-UMNHJUIQSA-N 1 0 382.140 2.681 20 0 GFADRO CC(C)[N@H+](C)CC(=O)N1CC[C@@]2(C)[C@@H](C1)C2(Br)Br ZINC000855322954 661984446 /nfs/dbraw/zinc/98/44/46/661984446.db2.gz UOALQWQNMCFRQP-PWSUYJOCSA-N 1 0 382.140 2.681 20 0 GFADRO CN1CCC[N@H+](CCCNc2ncnc3ccc(Br)cc32)CC1 ZINC000603385240 651487599 /nfs/dbraw/zinc/48/75/99/651487599.db2.gz DBPXAWLHSAMMKJ-UHFFFAOYSA-N 1 0 378.318 2.832 20 0 GFADRO Cc1[nH]nc(Br)c1C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000827842388 660519069 /nfs/dbraw/zinc/51/90/69/660519069.db2.gz QMEGDBYIBIUCBU-DOMZBBRYSA-N 1 0 391.313 2.979 20 0 GFADRO C[C@]1(CC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)CC1(Cl)Cl ZINC000827919218 660523034 /nfs/dbraw/zinc/52/30/34/660523034.db2.gz HFICBRPQRXQXTJ-BQFCYCMXSA-N 1 0 385.335 2.960 20 0 GFADRO Cc1c(Br)cncc1C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000614156748 651814736 /nfs/dbraw/zinc/81/47/36/651814736.db2.gz OWHNAVSNTGCUJB-UHFFFAOYSA-N 1 0 378.274 2.868 20 0 GFADRO Cc1cc([C@H]([NH3+])CC(=O)NCc2nccn2CC(F)(F)F)cc(Cl)n1 ZINC000828530654 660555304 /nfs/dbraw/zinc/55/53/04/660555304.db2.gz BSRCKDHFIJZZSF-LLVKDONJSA-N 1 0 375.782 2.509 20 0 GFADRO Cn1nc(C(=O)NC[C@H](C2CC2)[N@H+](C)Cc2ccccc2)cc1Br ZINC000828902911 660574442 /nfs/dbraw/zinc/57/44/42/660574442.db2.gz DHXZRYUFXWSUSJ-MRXNPFEDSA-N 1 0 391.313 2.823 20 0 GFADRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)c2cc(Br)cc3[nH]c(=O)[nH]c32)C1 ZINC000829703342 660608381 /nfs/dbraw/zinc/60/83/81/660608381.db2.gz DPMYDZGXKKDFDB-QWRGUYRKSA-N 1 0 381.274 2.634 20 0 GFADRO [NH3+]CCCCCCCN1C(=O)c2ccc(Br)cc2S1(=O)=O ZINC000830396739 660652314 /nfs/dbraw/zinc/65/23/14/660652314.db2.gz RHPMLGMURKGBAV-UHFFFAOYSA-N 1 0 375.288 2.503 20 0 GFADRO O=C(NC[C@@H]1CCC[C@@H](C(F)(F)F)O1)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000830693750 660674233 /nfs/dbraw/zinc/67/42/33/660674233.db2.gz LBJCIOWWDXAABK-KKUMJFAQSA-N 1 0 380.476 2.820 20 0 GFADRO O=C1[C@H](N2CC[C@@H]3COC(=O)N[C@H]3C2)CCN1c1ccc(Cl)c(Cl)c1 ZINC000830917441 660686353 /nfs/dbraw/zinc/68/63/53/660686353.db2.gz YTASAXGKIOGABH-WKPIXPDZSA-N 1 0 384.263 2.529 20 0 GFADRO O=C(N1C[C@@H]2CC[N@@H+](C[C@@H](O)c3cccc(Cl)c3)C[C@H]2C1)C(F)(F)F ZINC000831572033 660713392 /nfs/dbraw/zinc/71/33/92/660713392.db2.gz RESCNPJZHIOTEL-KCQAQPDRSA-N 1 0 376.806 2.716 20 0 GFADRO COCCS(=O)(=O)CCCN1CC[C@@H](c2cccc(Br)c2)C1 ZINC000831593903 660713932 /nfs/dbraw/zinc/71/39/32/660713932.db2.gz PHBDNQHSCBSHFN-OAHLLOKOSA-N 1 0 390.343 2.690 20 0 GFADRO C[N@@H+]1CCCC12CCN(C(=O)[C@]1(C)CC1(Br)Br)CC2 ZINC000831623705 660716058 /nfs/dbraw/zinc/71/60/58/660716058.db2.gz CVDOEWQQAMXQRA-LBPRGKRZSA-N 1 0 394.151 2.969 20 0 GFADRO C[C@@H](NC(=O)[C@]1(C)CC1(Br)Br)C1=CC[N@H+](C)CC1 ZINC000831936334 660738348 /nfs/dbraw/zinc/73/83/48/660738348.db2.gz LVRJAQFUGXGPEO-SKDRFNHKSA-N 1 0 380.124 2.649 20 0 GFADRO CCCN(CC[NH+](CC)CC)C(=O)c1csc(I)n1 ZINC000832218730 660764518 /nfs/dbraw/zinc/76/45/18/660764518.db2.gz VCHOCNFPZXTPJF-UHFFFAOYSA-N 1 0 395.310 2.942 20 0 GFADRO Cc1nc(SCC(C)C)sc1CC(=O)N1CC[N@H+](C[C@@H](C)O)C[C@@H]1C ZINC000832489801 660782852 /nfs/dbraw/zinc/78/28/52/660782852.db2.gz COSRDCSAMCIABK-UONOGXRCSA-N 1 0 385.599 2.656 20 0 GFADRO CC(C)[NH2+]CCCNC(=O)c1ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c1 ZINC000832613076 660789821 /nfs/dbraw/zinc/78/98/21/660789821.db2.gz MLWCDTUQTQMOIC-UHFFFAOYSA-N 1 0 389.949 2.535 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CN(C(=O)c2ccc(-c3ccccc3Br)n2C)CCO1 ZINC000834317454 660814270 /nfs/dbraw/zinc/81/42/70/660814270.db2.gz VGGZHHMFOPLVHN-SJCJKPOMSA-N 1 0 392.297 2.643 20 0 GFADRO CCC[NH2+]CCNC(=O)c1cnn(-c2ncccc2Cl)c1C(F)(F)Cl ZINC000834370281 660816982 /nfs/dbraw/zinc/81/69/82/660816982.db2.gz KSEWOAUMADQFAR-UHFFFAOYSA-N 1 0 392.237 2.938 20 0 GFADRO CCN(CC)C(=O)C[NH2+][C@@H](C)c1ccc(F)c(I)c1 ZINC000834534254 660823657 /nfs/dbraw/zinc/82/36/57/660823657.db2.gz KAABLFCAIDQZBW-JTQLQIEISA-N 1 0 378.229 2.949 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)c2ccc(C(F)(F)F)nc2Cl)CC12CCOCC2 ZINC000834853258 660835362 /nfs/dbraw/zinc/83/53/62/660835362.db2.gz FXYZHXCHRIWWDK-JTQLQIEISA-N 1 0 377.794 2.581 20 0 GFADRO COc1cc([C@@H](C)[NH2+]C[C@@H]2CCCC[C@H]2O)ccc1S(=O)(=O)C(F)F ZINC000834900517 660837485 /nfs/dbraw/zinc/83/74/85/660837485.db2.gz QHLGGUNYJAFYMW-KWCYVHTRSA-N 1 0 377.453 2.893 20 0 GFADRO CS[C@H](CO)[C@H](C)[NH2+]Cc1nc2c(s1)CN(C(=O)OC(C)(C)C)CC2 ZINC000835040572 660839303 /nfs/dbraw/zinc/83/93/03/660839303.db2.gz QCBCUXNKHISPPT-SMDDNHRTSA-N 1 0 387.571 2.638 20 0 GFADRO CSc1nc2ccc(NC(=O)NC[C@H]3CCC[N@@H+]3CCCO)cc2s1 ZINC000836207644 660895327 /nfs/dbraw/zinc/89/53/27/660895327.db2.gz BFPRYUBPHOUZQQ-CYBMUJFWSA-N 1 0 380.539 2.987 20 0 GFADRO CC[C@@H]1C[N@H+](CC)CCN1C(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000836220657 660895632 /nfs/dbraw/zinc/89/56/32/660895632.db2.gz ZEGYBXUFDZZUPL-CYBMUJFWSA-N 1 0 375.441 2.631 20 0 GFADRO O=C(NCCOc1ccc(Cl)c(Cl)c1)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000836280775 660898004 /nfs/dbraw/zinc/89/80/04/660898004.db2.gz BUMQUKHHXXKWDP-JSGCOSHPSA-N 1 0 388.295 2.535 20 0 GFADRO C[C@]1(CCNC(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)CC1(Cl)Cl ZINC000836312547 660899183 /nfs/dbraw/zinc/89/91/83/660899183.db2.gz ZPKOTHGIVAKIDZ-CJNGLKHVSA-N 1 0 378.344 2.761 20 0 GFADRO C[C@@H](CNC(=O)NC[C@H](O)c1ccccc1Br)C[NH+]1CCCC1 ZINC000836344429 660900488 /nfs/dbraw/zinc/90/04/88/660900488.db2.gz WKRHXTXUFLFROC-BBRMVZONSA-N 1 0 384.318 2.514 20 0 GFADRO C[C@H](CNC(=O)NC[C@@H](O)c1ccccc1Br)[NH+]1CCC(C)CC1 ZINC000836350479 660901001 /nfs/dbraw/zinc/90/10/01/660901001.db2.gz WVQRYLMJJOKPIX-RHSMWYFYSA-N 1 0 398.345 2.902 20 0 GFADRO C[C@]1(CNC(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)CC1(Cl)Cl ZINC000836590925 660918567 /nfs/dbraw/zinc/91/85/67/660918567.db2.gz WDSGMVVHRHFREO-IJEWVQPXSA-N 1 0 378.344 2.637 20 0 GFADRO Cc1c(Br)nccc1NC(=O)NC[C@@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000836676723 660925470 /nfs/dbraw/zinc/92/54/70/660925470.db2.gz LKTZASBQMDIWFF-HNNXBMFYSA-N 1 0 398.349 2.546 20 0 GFADRO O=C(NCCC[NH+]1CCCCC1)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000002467408 654436834 /nfs/dbraw/zinc/43/68/34/654436834.db2.gz QSKUVWKJCPWVQE-UHFFFAOYSA-N 1 0 384.929 2.639 20 0 aggregator GFADRO CCC[NH+]1CCC(NC(=O)CCNC(=O)c2ccc(Br)cc2)CC1 ZINC000008130821 654479663 /nfs/dbraw/zinc/47/96/63/654479663.db2.gz QJZFRPRKVONZJH-UHFFFAOYSA-N 1 0 396.329 2.560 20 0 GFADRO C[NH+]1CCN(c2ccc(CNC(=S)Nc3ccc(Cl)cc3)cn2)CC1 ZINC000010940408 654494693 /nfs/dbraw/zinc/49/46/93/654494693.db2.gz HIGZPDLMRXRBIZ-UHFFFAOYSA-N 1 0 375.929 2.973 20 0 GFADRO CCN(CC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1)Cc1ccc(Cl)s1 ZINC000016341601 654517954 /nfs/dbraw/zinc/51/79/54/654517954.db2.gz NDRWTBCJGODBRB-OAHLLOKOSA-N 1 0 387.977 2.696 20 0 GFADRO C[C@@]1(CCNC(=O)CC[NH+]2CCN(c3ccccn3)CC2)CC1(Cl)Cl ZINC000836919509 660957043 /nfs/dbraw/zinc/95/70/43/660957043.db2.gz PDWAQRRPXYFUGZ-QGZVFWFLSA-N 1 0 385.339 2.684 20 0 GFADRO Cc1ccc(OCC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)c(Br)c1 ZINC000032268537 654600747 /nfs/dbraw/zinc/60/07/47/654600747.db2.gz VZDPUHINXOJHPR-HNNXBMFYSA-N 1 0 399.329 2.609 20 0 GFADRO C[NH+]1CCN(c2ccc(NC(=O)c3cncc(Br)c3)cc2)CC1 ZINC000032896562 654609008 /nfs/dbraw/zinc/60/90/08/654609008.db2.gz XRFOEXKAEAJBOH-UHFFFAOYSA-N 1 0 375.270 2.848 20 0 GFADRO O=C(c1ccccc1I)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000037916838 654615895 /nfs/dbraw/zinc/61/58/95/654615895.db2.gz RPJUMOILAMUPCD-IUODEOHRSA-N 1 0 384.261 2.895 20 0 GFADRO O=S(=O)(NCCC[NH+]1CCCCC1)c1cc(Br)cnc1Cl ZINC000041066279 654622014 /nfs/dbraw/zinc/62/20/14/654622014.db2.gz LAHJYSXGWJWALN-UHFFFAOYSA-N 1 0 396.738 2.652 20 0 GFADRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)/C=C\c2ccc(I)o2)C1 ZINC000837184309 660975924 /nfs/dbraw/zinc/97/59/24/660975924.db2.gz GDQSCHRKTQELPS-SMYYYNMVSA-N 1 0 388.249 2.839 20 0 GFADRO C[C@@H](CNC(=O)C(=O)Nc1ccccc1Br)[N@@H+]1CCCC[C@@H]1C ZINC000041643997 654628474 /nfs/dbraw/zinc/62/84/74/654628474.db2.gz GAVHQIYUHXINCI-STQMWFEESA-N 1 0 382.302 2.767 20 0 GFADRO C[C@@H](CNC(=O)C(=O)Nc1cccc(Br)c1)[N@@H+]1CCC[C@H](C)C1 ZINC000041651278 654629096 /nfs/dbraw/zinc/62/90/96/654629096.db2.gz CQOZUCAMYUHYHU-STQMWFEESA-N 1 0 382.302 2.624 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)Nc1ccc(F)cc1Br ZINC000041664673 654629365 /nfs/dbraw/zinc/62/93/65/654629365.db2.gz ZAGZTBHBSCSTBO-LLVKDONJSA-N 1 0 386.265 2.517 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)NC[C@@H](O)c2ccccc2Br)C1 ZINC000837197140 660977081 /nfs/dbraw/zinc/97/70/81/660977081.db2.gz NOLMMQCNXVAOQO-PBHICJAKSA-N 1 0 387.293 2.811 20 0 GFADRO CC[NH+](CC)CCSCC(=O)NC[C@@H](O)c1ccccc1Br ZINC000837198157 660977428 /nfs/dbraw/zinc/97/74/28/660977428.db2.gz PIJUBFJPDGZQKP-OAHLLOKOSA-N 1 0 389.359 2.674 20 0 GFADRO C[C@@H](NC(=O)c1ccc(Br)cc1)C(=O)NCC[N@@H+]1CCCC[C@H]1C ZINC000046858479 654686739 /nfs/dbraw/zinc/68/67/39/654686739.db2.gz CEHGJKXGODPWQQ-ZIAGYGMSSA-N 1 0 396.329 2.558 20 0 GFADRO CC(C)C[C@@H](CN1C(=O)c2cc(Br)ccc2S1(=O)=O)[NH+](C)C ZINC000047880140 654701605 /nfs/dbraw/zinc/70/16/05/654701605.db2.gz YKRODJKPNBYQMX-LBPRGKRZSA-N 1 0 389.315 2.570 20 0 GFADRO O=C(NC[C@@H](O)C(F)(F)F)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000048740913 654712482 /nfs/dbraw/zinc/71/24/82/654712482.db2.gz HRVWPOONQJGMDN-UONOGXRCSA-N 1 0 379.810 2.699 20 0 GFADRO C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000049958762 654716780 /nfs/dbraw/zinc/71/67/80/654716780.db2.gz ZPFYFUNVKYXYBT-WFASDCNBSA-N 1 0 379.913 2.939 20 0 GFADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)c2ccc(F)cc2Br)CC1 ZINC000122352240 654735292 /nfs/dbraw/zinc/73/52/92/654735292.db2.gz JFUIBYXVDBNIBA-ZDUSSCGKSA-N 1 0 386.309 2.592 20 0 GFADRO Cn1ccc(C[NH2+]C2(c3ccc(Br)cc3)CCOCC2)cc1=O ZINC000052833952 654740466 /nfs/dbraw/zinc/74/04/66/654740466.db2.gz BRYUKMQDABOAPK-UHFFFAOYSA-N 1 0 377.282 2.943 20 0 GFADRO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)Nc1cc(F)c(Br)cc1F ZINC000122619167 654740933 /nfs/dbraw/zinc/74/09/33/654740933.db2.gz GEQRSYLEHLTNEC-SECBINFHSA-N 1 0 392.244 2.512 20 0 GFADRO C[C@@H](CS(=O)(=O)c1ccccc1)[NH2+][C@H]1CCN(c2ncccc2Cl)C1 ZINC000122693849 654742780 /nfs/dbraw/zinc/74/27/80/654742780.db2.gz IQEPUFGRORTDGB-GJZGRUSLSA-N 1 0 379.913 2.766 20 0 GFADRO CN(C)C(=O)C1CC[NH+](C[C@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000053398925 654745735 /nfs/dbraw/zinc/74/57/35/654745735.db2.gz WMQYZHJLXFNUSO-AWEZNQCLSA-N 1 0 375.296 2.533 20 0 GFADRO C[C@@H]1C[C@H](N(C)C(=O)c2csc(I)c2)CC[N@@H+]1C ZINC000123485592 654757318 /nfs/dbraw/zinc/75/73/18/654757318.db2.gz UOPLMIYJHMOGHQ-MWLCHTKSSA-N 1 0 378.279 2.907 20 0 GFADRO O=C(C[NH2+]C1(c2ccc(Br)cc2)CCOCC1)NCC(F)(F)F ZINC000054394212 654759953 /nfs/dbraw/zinc/75/99/53/654759953.db2.gz FQCPBHRXFWWCQW-UHFFFAOYSA-N 1 0 395.219 2.723 20 0 GFADRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)c1c(Br)nc2n1CCCC2 ZINC000837506182 661002313 /nfs/dbraw/zinc/00/23/13/661002313.db2.gz MKOBCIAAVPUHHT-GFCCVEGCSA-N 1 0 383.334 2.784 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CNC(=S)NCc1cc(OC)ccc1Br ZINC000054939770 654765609 /nfs/dbraw/zinc/76/56/09/654765609.db2.gz BRKZQSJFJRINTD-CYBMUJFWSA-N 1 0 386.359 2.906 20 0 GFADRO C[C@@H](Sc1cc(Cl)ccc1Cl)C(=O)NCCN1CC[NH+](C)CC1 ZINC000055095483 654768795 /nfs/dbraw/zinc/76/87/95/654768795.db2.gz VCMNJQAKLINSBR-GFCCVEGCSA-N 1 0 376.353 2.838 20 0 GFADRO C[NH+](C)CCOc1cc(CNC(=O)c2ccc(Br)c(F)c2)ccn1 ZINC000124010613 654768725 /nfs/dbraw/zinc/76/87/25/654768725.db2.gz IZYIHZORHKROEB-UHFFFAOYSA-N 1 0 396.260 2.854 20 0 GFADRO C[NH+](C)C1(CNS(=O)(=O)c2cc(Br)cnc2Cl)CCCC1 ZINC000055239735 654772490 /nfs/dbraw/zinc/77/24/90/654772490.db2.gz BTBAAYQNNBQRPZ-UHFFFAOYSA-N 1 0 396.738 2.650 20 0 GFADRO CCC(=O)N[C@@H]1CCC[N@H+](CCC(=O)Nc2cccc(Br)c2)C1 ZINC000124263894 654773230 /nfs/dbraw/zinc/77/32/30/654773230.db2.gz RBLDHZFJSWZIDX-OAHLLOKOSA-N 1 0 382.302 2.768 20 0 GFADRO O=C(Nc1cc(Br)ccc1F)C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000124601886 654779217 /nfs/dbraw/zinc/77/92/17/654779217.db2.gz JNPZUGUKCJINSS-LBPRGKRZSA-N 1 0 398.276 2.660 20 0 GFADRO C[NH+]1CCN(c2ccc(NC(=O)Cc3cccc(Br)c3)nc2)CC1 ZINC000124837661 654782221 /nfs/dbraw/zinc/78/22/21/654782221.db2.gz PWLQIXVDDHYDTE-UHFFFAOYSA-N 1 0 389.297 2.777 20 0 GFADRO Nc1nc(N)nc(C[NH2+]C2(Cc3ccc(Br)cc3)CCCCC2)n1 ZINC000124968797 654785084 /nfs/dbraw/zinc/78/50/84/654785084.db2.gz KOTRFRJEEZQXMN-UHFFFAOYSA-N 1 0 391.317 2.834 20 0 GFADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)c2cc(C)cc(Br)c2)CC1 ZINC000125292051 654790085 /nfs/dbraw/zinc/79/00/85/654790085.db2.gz MOXLCZPWDBTCCJ-HNNXBMFYSA-N 1 0 382.346 2.761 20 0 GFADRO C[C@H](CNC(=O)c1ccc(-n2cc(Br)cn2)cc1)[N@H+](C)C1CC1 ZINC000057710193 654808806 /nfs/dbraw/zinc/80/88/06/654808806.db2.gz YDHVXHYCXVDGQG-GFCCVEGCSA-N 1 0 377.286 2.847 20 0 GFADRO C[NH+]1CCN(c2ccc(CNC(=O)NCc3ccc(Cl)s3)cn2)CC1 ZINC000057726359 654809372 /nfs/dbraw/zinc/80/93/72/654809372.db2.gz QXDDBCDZNBPBCQ-UHFFFAOYSA-N 1 0 379.917 2.548 20 0 GFADRO COC(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)c1 ZINC000058178815 654816364 /nfs/dbraw/zinc/81/63/64/654816364.db2.gz LXIHOGPLBZCWPG-STQMWFEESA-N 1 0 388.917 2.525 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)Nc1cccc(CS(C)(=O)=O)c1)c1ccsc1 ZINC000058650129 654821377 /nfs/dbraw/zinc/82/13/77/654821377.db2.gz GWBSXUJYAKIHKC-MRXNPFEDSA-N 1 0 381.523 2.717 20 0 GFADRO C[C@@H](CNC(=O)c1cnn(-c2ccc(Br)cc2)c1)[NH+]1CCCC1 ZINC000058842117 654823322 /nfs/dbraw/zinc/82/33/22/654823322.db2.gz XIMAZHYHPBGPOH-ZDUSSCGKSA-N 1 0 377.286 2.849 20 0 GFADRO C[NH+](C)CC(=O)N1CCN(C(=O)CCCc2ccc(Cl)c(Cl)c2)CC1 ZINC000058857516 654823326 /nfs/dbraw/zinc/82/33/26/654823326.db2.gz WWEHFCUJXAHYOY-UHFFFAOYSA-N 1 0 386.323 2.549 20 0 GFADRO C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+][C@@H](C)CCS(C)(=O)=O ZINC000127201726 654826477 /nfs/dbraw/zinc/82/64/77/654826477.db2.gz WKCTZRXWWMCTKV-NWDGAFQWSA-N 1 0 380.432 2.835 20 0 GFADRO C[C@H](NC(=O)c1ccc(Br)cc1)C(=O)NCC[N@@H+]1CCCC[C@@H]1C ZINC000060524264 654831191 /nfs/dbraw/zinc/83/11/91/654831191.db2.gz CEHGJKXGODPWQQ-KBPBESRZSA-N 1 0 396.329 2.558 20 0 GFADRO C[NH+]1CCC(CNC(=O)c2cnn(-c3ccc(Br)cc3)c2)CC1 ZINC000127590985 654832364 /nfs/dbraw/zinc/83/23/64/654832364.db2.gz AGOAPHSPXKBFGD-UHFFFAOYSA-N 1 0 377.286 2.706 20 0 GFADRO Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1C[NH2+]CCOCCO ZINC000061012285 654835163 /nfs/dbraw/zinc/83/51/63/654835163.db2.gz HJNRUCSWVSXKEV-UHFFFAOYSA-N 1 0 377.794 2.951 20 0 GFADRO C[NH+](C)C1CCN(CC(=O)Nc2c(F)cc(F)cc2Br)CC1 ZINC000127915910 654837354 /nfs/dbraw/zinc/83/73/54/654837354.db2.gz NXCDOXIUNQDVDY-UHFFFAOYSA-N 1 0 376.245 2.692 20 0 GFADRO CC(C)(C)[NH2+]CCNC(=O)C(=O)Nc1cc(Cl)ccc1Br ZINC000127958569 654838444 /nfs/dbraw/zinc/83/84/44/654838444.db2.gz FFNKEYRHSKDCBS-UHFFFAOYSA-N 1 0 376.682 2.545 20 0 GFADRO Cc1ccc(O[C@H](C)C(=O)Nc2cnn(CC[NH+](C)C)c2)c(Br)c1 ZINC000061635057 654841120 /nfs/dbraw/zinc/84/11/20/654841120.db2.gz XBSAUWGEFOXDJF-CYBMUJFWSA-N 1 0 395.301 2.922 20 0 GFADRO CCN1CC[NH+](C[C@H](C)CNC(=O)Nc2ccc(Br)c(C)n2)CC1 ZINC000128378094 654845106 /nfs/dbraw/zinc/84/51/06/654845106.db2.gz CFALCYTXDUCTOH-CYBMUJFWSA-N 1 0 398.349 2.548 20 0 GFADRO C[C@H]1C[NH+](CCCNC(=O)c2cccnc2SC(F)(F)F)C[C@H](C)O1 ZINC000063091536 654848702 /nfs/dbraw/zinc/84/87/02/654848702.db2.gz JWMRDAMKWFFBTR-RYUDHWBXSA-N 1 0 377.432 2.923 20 0 GFADRO Cc1nc(NC(=O)NC[C@H](C(C)C)[NH+]2CCN(C)CC2)ccc1Br ZINC000128622946 654848870 /nfs/dbraw/zinc/84/88/70/654848870.db2.gz RTYSBQCMZARMEX-OAHLLOKOSA-N 1 0 398.349 2.546 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(Cl)c(I)c1 ZINC000063114619 654848882 /nfs/dbraw/zinc/84/88/82/654848882.db2.gz HOAIFESCRYUICY-SNVBAGLBSA-N 1 0 390.652 2.911 20 0 GFADRO COc1ccc(Br)cc1C(=O)CCC(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000063114958 654848938 /nfs/dbraw/zinc/84/89/38/654848938.db2.gz AWIYIFZHXYLJNJ-CYBMUJFWSA-N 1 0 395.297 2.774 20 0 GFADRO Cc1csc([C@](O)(CC(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)C(F)(F)F)n1 ZINC000266095875 654857094 /nfs/dbraw/zinc/85/70/94/654857094.db2.gz QMTGOLCRYJKLED-YWPYICTPSA-N 1 0 379.448 2.533 20 0 GFADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)Cc1cc(Cl)ccc1Br ZINC000129181048 654859427 /nfs/dbraw/zinc/85/94/27/654859427.db2.gz LCXBYBDNLHOPSR-CQSZACIVSA-N 1 0 389.721 2.872 20 0 GFADRO O=C(CC[N@@H+]1CC[C@H](CN2CCOCC2)C1)Nc1cc(Cl)ccc1Cl ZINC000129538883 654865965 /nfs/dbraw/zinc/86/59/65/654865965.db2.gz FITWEPLPSLKPSL-AWEZNQCLSA-N 1 0 386.323 2.976 20 0 GFADRO COCC[N@@H+]1CCCN(C(=O)[C@@H](C)c2ccc(Br)s2)CC1 ZINC000266265146 654867425 /nfs/dbraw/zinc/86/74/25/654867425.db2.gz MFZXKLYWDTYADX-LBPRGKRZSA-N 1 0 375.332 2.795 20 0 GFADRO CC(C)Oc1cc(Br)cc(NC(=O)NC[C@H]2C[N@H+](C)CCN2C)c1 ZINC000266597888 654886414 /nfs/dbraw/zinc/88/64/14/654886414.db2.gz BSUCYDKNAQSAMU-HNNXBMFYSA-N 1 0 399.333 2.604 20 0 GFADRO CC[C@@H]([NH3+])C(=O)N1CCN(c2ccc(Br)cc2C(F)(F)F)CC1 ZINC000130459809 654888824 /nfs/dbraw/zinc/88/88/24/654888824.db2.gz YQXKXEKMPQRMJC-GFCCVEGCSA-N 1 0 394.235 2.854 20 0 GFADRO COc1ccc(CNC(=O)N2CC[C@@H]([NH+]3CCCC3)C2)cc1Br ZINC000066195017 654896630 /nfs/dbraw/zinc/89/66/30/654896630.db2.gz BSNMMKYKYCEFCB-CQSZACIVSA-N 1 0 382.302 2.837 20 0 GFADRO C[NH+](C)C1(CNC(=O)C(=O)Nc2nc(-c3cccs3)cs2)CCCC1 ZINC000266914156 654898976 /nfs/dbraw/zinc/89/89/76/654898976.db2.gz CNNKQAVINDHNPF-UHFFFAOYSA-N 1 0 378.523 2.801 20 0 GFADRO CC[NH+]1CCN([C@H]2CCN(C(=O)c3ccc(C)c(Br)c3)C2)CC1 ZINC000266930294 654899582 /nfs/dbraw/zinc/89/95/82/654899582.db2.gz MNBSVOCLPVIXSD-INIZCTEOSA-N 1 0 380.330 2.610 20 0 GFADRO O=c1ccn(C[N@@H+]2CCOC3(CCOCC3)C2)c2c(Br)cccc12 ZINC000131273254 654900675 /nfs/dbraw/zinc/90/06/75/654900675.db2.gz AVTLSHQVZGBGLA-UHFFFAOYSA-N 1 0 393.281 2.603 20 0 GFADRO C[C@@H](C(=O)Nc1ccc(Cl)cn1)N1CC[NH+](CCc2cccs2)CC1 ZINC000066435043 654901501 /nfs/dbraw/zinc/90/15/01/654901501.db2.gz FGQDLFSKXNIGRK-AWEZNQCLSA-N 1 0 378.929 2.984 20 0 GFADRO CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)cc1Cl ZINC000267038368 654906424 /nfs/dbraw/zinc/90/64/24/654906424.db2.gz BKUJLAMKRXZTFS-INIZCTEOSA-N 1 0 389.949 2.943 20 0 GFADRO C[C@H](NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1ccc(Br)c(F)c1 ZINC000131461015 654907814 /nfs/dbraw/zinc/90/78/14/654907814.db2.gz UIASIPNNMCWUEG-JSGCOSHPSA-N 1 0 386.309 2.826 20 0 GFADRO O=C(CCc1ccc(Br)cc1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000267110136 654911358 /nfs/dbraw/zinc/91/13/58/654911358.db2.gz ATIQACIIYOSSSE-UHFFFAOYSA-N 1 0 395.341 2.953 20 0 GFADRO C[NH+](C)[C@]1(CNC(=O)C[C@H]2Sc3ccc(Cl)cc3NC2=O)CCSC1 ZINC000267134994 654912750 /nfs/dbraw/zinc/91/27/50/654912750.db2.gz SLBNSBXYAUDHCS-PBHICJAKSA-N 1 0 399.969 2.696 20 0 GFADRO CC(=O)Nc1ccc(S(=O)(=O)NCC[NH+](C(C)C)C(C)C)cc1Cl ZINC000267186447 654915951 /nfs/dbraw/zinc/91/59/51/654915951.db2.gz KVWSXUHDWDJHCZ-UHFFFAOYSA-N 1 0 375.922 2.696 20 0 GFADRO O=C(c1c(F)cccc1Br)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000267191623 654916060 /nfs/dbraw/zinc/91/60/60/654916060.db2.gz KRHPVTYYOBCPQP-UHFFFAOYSA-N 1 0 385.277 2.773 20 0 GFADRO Oc1ccccc1C[NH2+]C[C@@H](O)COc1ccc(I)cc1 ZINC000066992939 654924728 /nfs/dbraw/zinc/92/47/28/654924728.db2.gz ZHKGLRXWQHVIBJ-CQSZACIVSA-N 1 0 399.228 2.526 20 0 GFADRO C[NH+](C)[C@@]1(CNC(=O)C2(c3ccccc3Cl)CCOCC2)CCSC1 ZINC000267385950 654926293 /nfs/dbraw/zinc/92/62/93/654926293.db2.gz ZYNQUVDRADTQBH-GOSISDBHSA-N 1 0 382.957 2.942 20 0 GFADRO C[NH+](C)C[C@H]1CCCN1C(=O)c1ccn(-c2cccc(Br)c2)n1 ZINC000267517332 654932653 /nfs/dbraw/zinc/93/26/53/654932653.db2.gz KTMROJPAOPEFKS-OAHLLOKOSA-N 1 0 377.286 2.801 20 0 GFADRO C[NH+](C)CCCC1CCN(C(=O)c2cc(S(C)(=O)=O)ccc2Cl)CC1 ZINC000132512970 654939685 /nfs/dbraw/zinc/93/96/85/654939685.db2.gz NITYGUPRFAMJNU-UHFFFAOYSA-N 1 0 386.945 2.938 20 0 GFADRO C[NH+]1CCN(CCNC(=O)/C=C/c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000067511395 654940048 /nfs/dbraw/zinc/94/00/48/654940048.db2.gz PVKDRGAMEUBJFJ-GORDUTHDSA-N 1 0 375.822 2.736 20 0 GFADRO C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)NC[C@H]1CSCCS1 ZINC000132550913 654941217 /nfs/dbraw/zinc/94/12/17/654941217.db2.gz QBACHTJDUPIGDI-HNNXBMFYSA-N 1 0 389.537 2.887 20 0 GFADRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)NCc2cc3c(c(Br)c2)OCO3)C1 ZINC000067684663 654942748 /nfs/dbraw/zinc/94/27/48/654942748.db2.gz ICKFFGHCFKFYQF-LBPRGKRZSA-N 1 0 398.301 2.707 20 0 GFADRO CNS(=O)(=O)CCC[N@H+](Cc1ccccc1Br)C(C)(C)C ZINC000132655930 654944812 /nfs/dbraw/zinc/94/48/12/654944812.db2.gz OJZWKCONYVAULG-UHFFFAOYSA-N 1 0 377.348 2.989 20 0 GFADRO C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)CCn1ccnn1 ZINC000067873057 654947164 /nfs/dbraw/zinc/94/71/64/654947164.db2.gz PAOXJSOSISNSTN-UHFFFAOYSA-N 1 0 384.311 2.956 20 0 GFADRO CN(CCCNC(=O)N(CC[NH+](C)C)Cc1cccs1)CC(F)(F)F ZINC000267814886 654947362 /nfs/dbraw/zinc/94/73/62/654947362.db2.gz FNEZEBGKSUPEKR-UHFFFAOYSA-N 1 0 380.480 2.706 20 0 GFADRO CC[NH+]1CCC(N(C)S(=O)(=O)c2ccc(Br)cc2C)CC1 ZINC000133251377 654958071 /nfs/dbraw/zinc/95/80/71/654958071.db2.gz AJQGLFSYXLNGBE-UHFFFAOYSA-N 1 0 375.332 2.862 20 0 GFADRO C[C@@H](CC[S@](C)=O)NC(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000268106237 654958992 /nfs/dbraw/zinc/95/89/92/654958992.db2.gz DBDJUAUFECECQQ-MQNRADLISA-N 1 0 383.583 2.557 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)N1CCC[C@H]([NH2+]C)C1 ZINC000133373042 654962156 /nfs/dbraw/zinc/96/21/56/654962156.db2.gz NFSMKKIURDWBTQ-CABCVRRESA-N 1 0 384.567 2.561 20 0 GFADRO CC(C)CC[NH+]1CCC(NCc2c(I)cnn2C)CC1 ZINC000926811293 664696863 /nfs/dbraw/zinc/69/68/63/664696863.db2.gz CPHUDAUXQLDIFN-UHFFFAOYSA-N 1 0 390.313 2.625 20 0 GFADRO C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)N1CCCC2(C1)OCCO2 ZINC000133483122 654964388 /nfs/dbraw/zinc/96/43/88/654964388.db2.gz FDQPMTBXSAXGON-AWEZNQCLSA-N 1 0 397.313 2.635 20 0 GFADRO CC(C)[NH+]1CCC(O)(CNC(=O)c2cc3cc(Br)ccc3[nH]2)CC1 ZINC000268435603 654971698 /nfs/dbraw/zinc/97/16/98/654971698.db2.gz DYUVSYAOBKGCFK-UHFFFAOYSA-N 1 0 394.313 2.896 20 0 GFADRO Cc1cc(C(=O)NCC2(O)CC[NH+](C(C)C)CC2)c(Br)s1 ZINC000268502440 654975125 /nfs/dbraw/zinc/97/51/25/654975125.db2.gz VQGFJQFTBWZCOE-UHFFFAOYSA-N 1 0 375.332 2.784 20 0 GFADRO CCCNC(=O)CCC(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000069156187 654975350 /nfs/dbraw/zinc/97/53/50/654975350.db2.gz CQHYEHOXYKJABM-UHFFFAOYSA-N 1 0 398.345 2.646 20 0 GFADRO CN([C@H]1CC[N@H+](Cc2ccccc2)C1)S(=O)(=O)Cc1ccc(Cl)nc1 ZINC000268613870 654979710 /nfs/dbraw/zinc/97/97/10/654979710.db2.gz YYAFTALVQYMKMM-KRWDZBQOSA-N 1 0 379.913 2.771 20 0 GFADRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1c(F)cccc1I ZINC000268633843 654980849 /nfs/dbraw/zinc/98/08/49/654980849.db2.gz KYHVFZJIXMWZCH-NOZJJQNGSA-N 1 0 388.224 2.643 20 0 GFADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H](C)Oc1cccc(Cl)c1Cl ZINC000069505008 654982272 /nfs/dbraw/zinc/98/22/72/654982272.db2.gz RDVGMWUBFCYHOX-STQMWFEESA-N 1 0 375.296 2.988 20 0 GFADRO Cc1ccc(I)cc1C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000134136508 654984318 /nfs/dbraw/zinc/98/43/18/654984318.db2.gz JGTKYSKLDYZQMS-GFCCVEGCSA-N 1 0 384.261 2.814 20 0 GFADRO CC[NH+]1CCN(CCNC(=O)CCCc2ccccc2Br)CC1 ZINC000268803802 654987360 /nfs/dbraw/zinc/98/73/60/654987360.db2.gz KAIVOSBVXGFAPZ-UHFFFAOYSA-N 1 0 382.346 2.526 20 0 GFADRO CC[C@@H](Cc1ccccc1Br)C(=O)NC[C@@H](C)N1CC[NH+](C)CC1 ZINC000134243124 654987975 /nfs/dbraw/zinc/98/79/75/654987975.db2.gz UWTBVHDCWDZUDF-CVEARBPZSA-N 1 0 396.373 2.770 20 0 GFADRO CCC[N@@H+]1CCC[C@H]1CNC(=O)N(C)C[C@H](O)c1ccccc1Br ZINC000838591254 661050402 /nfs/dbraw/zinc/05/04/02/661050402.db2.gz SXITXEYILGPJFV-YOEHRIQHSA-N 1 0 398.345 2.998 20 0 GFADRO C[C@H](Cn1cc(Br)cn1)[NH2+]Cc1cccc(C(=O)NC2CC2)c1 ZINC000268877831 654989996 /nfs/dbraw/zinc/98/99/96/654989996.db2.gz ZHIFJGSNLAICEV-GFCCVEGCSA-N 1 0 377.286 2.716 20 0 GFADRO C[C@H](CCS(C)(=O)=O)[NH2+]Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000134574472 654996670 /nfs/dbraw/zinc/99/66/70/654996670.db2.gz YMAVDSNGNLPNMH-GFCCVEGCSA-N 1 0 375.416 2.804 20 0 GFADRO CCN(CC)C(=O)COc1ccc(NC(=O)[C@H]([NH3+])CCSC)cc1Cl ZINC000269080668 654997183 /nfs/dbraw/zinc/99/71/83/654997183.db2.gz FLUNZZIOZNUDCG-CQSZACIVSA-N 1 0 387.933 2.606 20 0 GFADRO C[C@H](NC(=O)c1c(F)cccc1I)[C@H]1CCC[NH2+]C1 ZINC000269177729 655000711 /nfs/dbraw/zinc/00/07/11/655000711.db2.gz HIGQMBGPLGZFSZ-UWVGGRQHSA-N 1 0 376.213 2.548 20 0 GFADRO Cc1ccc(-n2nc(Br)cc2C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000269195170 655001118 /nfs/dbraw/zinc/00/11/18/655001118.db2.gz PYLFIROUJDBBJA-KGLIPLIRSA-N 1 0 389.297 2.910 20 0 GFADRO [NH3+][C@H]1CCC[C@H](C(=O)NCc2nnc3c(Cl)cc(C(F)(F)F)cn23)C1 ZINC000269215604 655001827 /nfs/dbraw/zinc/00/18/27/655001827.db2.gz VAQZFARTWGOMPY-WPRPVWTQSA-N 1 0 375.782 2.535 20 0 GFADRO C[C@H]1CCC[N@@H+]1C1CCN(CC(=O)Nc2ccc(Br)cn2)CC1 ZINC000134763457 655003143 /nfs/dbraw/zinc/00/31/43/655003143.db2.gz FQUXEQZEOBXZPZ-ZDUSSCGKSA-N 1 0 381.318 2.731 20 0 GFADRO C[C@@H]1C[C@H](N(C)S(=O)(=O)c2cc(F)ccc2Br)CC[N@@H+]1C ZINC000269341653 655006343 /nfs/dbraw/zinc/00/63/43/655006343.db2.gz GKOGDNIMFGQNDD-ZYHUDNBSSA-N 1 0 379.295 2.691 20 0 GFADRO [NH3+]C[C@@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(Br)cc1Cl ZINC000091323976 655008507 /nfs/dbraw/zinc/00/85/07/655008507.db2.gz CQDMOFWJAYPKOY-JOYOIKCWSA-N 1 0 381.723 2.898 20 0 GFADRO O=C(C[NH+]1CCCC1)N1CCN(Cc2cnc(-c3cccs3)s2)CC1 ZINC000093047006 655016715 /nfs/dbraw/zinc/01/67/15/655016715.db2.gz VEUSTDPGQAYICG-UHFFFAOYSA-N 1 0 376.551 2.612 20 0 GFADRO CC[NH+]1CCN([C@H]2CCN(Cc3cc(Br)c(OC)s3)C2)CC1 ZINC000093132807 655017720 /nfs/dbraw/zinc/01/77/20/655017720.db2.gz VNXIONJAFDZPTQ-ZDUSSCGKSA-N 1 0 388.375 2.731 20 0 GFADRO COc1cc(C[N@H+](C)CC[C@H](C)O)cc(I)c1OC ZINC000093481771 655020284 /nfs/dbraw/zinc/02/02/84/655020284.db2.gz XXZHQOKWCGJGNL-JTQLQIEISA-N 1 0 379.238 2.511 20 0 GFADRO O=S(=O)(NC1CC[NH+](C2CCCC2)CC1)c1c[nH]c2nccc(Cl)c12 ZINC000093922383 655024362 /nfs/dbraw/zinc/02/43/62/655024362.db2.gz SSOIMIOTJFCDOV-UHFFFAOYSA-N 1 0 382.917 2.902 20 0 GFADRO COCC[N@@H+]1CC[C@H](NC(=O)Nc2cc(F)c(Br)cc2F)C1 ZINC000269841362 655024457 /nfs/dbraw/zinc/02/44/57/655024457.db2.gz AGODGVJGJPGLNT-VIFPVBQESA-N 1 0 378.217 2.570 20 0 GFADRO O=S(=O)(N1CCC([NH2+][C@@H]2CCc3c2c(F)ccc3F)CC1)C(F)(F)F ZINC000269853847 655025010 /nfs/dbraw/zinc/02/50/10/655025010.db2.gz PYHRQOKFAVWUGM-CYBMUJFWSA-N 1 0 384.370 2.856 20 0 GFADRO C[C@@H]1CCC[N@H+](CCCCNC(=O)c2cnn3cc(Br)cnc23)C1 ZINC000093971251 655025625 /nfs/dbraw/zinc/02/56/25/655025625.db2.gz IMVDXERZEANKTG-CYBMUJFWSA-N 1 0 394.317 2.734 20 0 GFADRO O=C(Cc1ccc(Cl)cc1Br)NCCC[NH+]1CCC(O)CC1 ZINC000136117847 655027861 /nfs/dbraw/zinc/02/78/61/655027861.db2.gz FOAUGVYQRAWZQN-UHFFFAOYSA-N 1 0 389.721 2.608 20 0 GFADRO CNC(=O)C1CCC([NH2+]Cc2cn(-c3ccc(Cl)cc3Cl)nn2)CC1 ZINC000270020275 655031425 /nfs/dbraw/zinc/03/14/25/655031425.db2.gz AGGHQBMOGPWXHW-UHFFFAOYSA-N 1 0 382.295 2.969 20 0 GFADRO [NH3+][C@H](CNC(=O)CCCCc1ccc(I)cc1)C1CC1 ZINC000137499826 655040686 /nfs/dbraw/zinc/04/06/86/655040686.db2.gz AJRKRJWPVOKUHB-OAHLLOKOSA-N 1 0 386.277 2.858 20 0 GFADRO O=S(=O)(Cc1ccc(Cl)nc1)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000101568956 655043977 /nfs/dbraw/zinc/04/39/77/655043977.db2.gz GMZPLEAHPSMNJW-KRWDZBQOSA-N 1 0 379.913 2.992 20 0 GFADRO CC[NH+](CC)CCNC(=O)N1CCO[C@@H](c2ccccc2Br)C1 ZINC000101766100 655047111 /nfs/dbraw/zinc/04/71/11/655047111.db2.gz UMVCRRLNZHGCEU-MRXNPFEDSA-N 1 0 384.318 2.874 20 0 GFADRO CC[NH+](CC)CCN(C(=O)c1cc(C)cc(Cl)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000271082884 655066068 /nfs/dbraw/zinc/06/60/68/655066068.db2.gz RQOMRVQWQWRKII-QGZVFWFLSA-N 1 0 386.945 2.620 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)N[C@@H](CO)c2ccc(Br)cc2)C1 ZINC000271145922 655067812 /nfs/dbraw/zinc/06/78/12/655067812.db2.gz PIEATYNCTCMNSQ-OAGGEKHMSA-N 1 0 384.318 2.655 20 0 GFADRO CCOc1cc(C[N@H+](CCO)CCCO)cc(Br)c1OC(F)F ZINC000271174554 655068770 /nfs/dbraw/zinc/06/87/70/655068770.db2.gz JVWKHMHNOIADCE-UHFFFAOYSA-N 1 0 398.244 2.626 20 0 GFADRO O=C(c1nccn2c(Br)cnc12)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000271217492 655071249 /nfs/dbraw/zinc/07/12/49/655071249.db2.gz CBLMQDHEIHUVSZ-ZDUSSCGKSA-N 1 0 392.301 2.582 20 0 GFADRO CCN(CCS(C)(=O)=O)C[C@@H](O)COc1cc(C)c(Cl)cc1C(C)C ZINC000154245971 655074292 /nfs/dbraw/zinc/07/42/92/655074292.db2.gz HNWSDKYQEBTBAT-OAHLLOKOSA-N 1 0 391.961 2.878 20 0 GFADRO CC[C@@H](CS(=O)(=O)c1ccccc1)[NH2+]C1CCN(c2nccs2)CC1 ZINC000271562880 655085637 /nfs/dbraw/zinc/08/56/37/655085637.db2.gz XDBFCPJTWCUTRA-HNNXBMFYSA-N 1 0 379.551 2.954 20 0 GFADRO C[C@H]([NH2+]CCn1cc(Br)cn1)c1ccc(N2CCOC2=O)cc1 ZINC000271802932 655095209 /nfs/dbraw/zinc/09/52/09/655095209.db2.gz MSZRZIHBRRVIQT-LBPRGKRZSA-N 1 0 379.258 2.953 20 0 GFADRO COc1ccc([C@H](C)[NH2+]C2CCN(CC(=O)N(C)C)CC2)c(Br)c1 ZINC000271871490 655097561 /nfs/dbraw/zinc/09/75/61/655097561.db2.gz MUXQYHCTXMPSMI-ZDUSSCGKSA-N 1 0 398.345 2.661 20 0 GFADRO CSCC[C@@H]([NH3+])C(=O)Nc1cc(-c2ccc(Br)s2)[nH]n1 ZINC000157217963 655099422 /nfs/dbraw/zinc/09/94/22/655099422.db2.gz IFFKCAFNHZEYFQ-SSDOTTSWSA-N 1 0 375.317 2.920 20 0 GFADRO C[N@H+]1CC=C(CNC(=O)CCC[S@@](=O)c2ccc(Br)cc2)CC1 ZINC000271964024 655099551 /nfs/dbraw/zinc/09/95/51/655099551.db2.gz ZFNAHQBTTKMHCE-HSZRJFAPSA-N 1 0 399.354 2.715 20 0 GFADRO O=S1(=O)CC[C@]2(C1)C[C@@H]([NH2+]Cc1ccc(Cl)c3cccnc13)CCO2 ZINC000271976614 655099709 /nfs/dbraw/zinc/09/97/09/655099709.db2.gz IRQIITPBCSKDKD-KBXCAEBGSA-N 1 0 380.897 2.714 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)N1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000272239999 655106591 /nfs/dbraw/zinc/10/65/91/655106591.db2.gz KQPZQERISWZTRQ-KFWWJZLASA-N 1 0 384.567 2.547 20 0 GFADRO COC(=O)[C@H](C)C[N@H+](C)C[C@H](O)COc1ccc(Cl)cc1Br ZINC000106383116 655107587 /nfs/dbraw/zinc/10/75/87/655107587.db2.gz BCEFYHPSNNHMBG-PWSUYJOCSA-N 1 0 394.693 2.583 20 0 GFADRO C[NH+](C)CC(C)(C)CNC(=O)c1cnn(-c2cccc(Br)c2)c1 ZINC000106732201 655110059 /nfs/dbraw/zinc/11/00/59/655110059.db2.gz KZGOIJYOJLJJMX-UHFFFAOYSA-N 1 0 379.302 2.952 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)c1cnn(-c2cccc(Br)c2)c1)C1CC1 ZINC000106747306 655110468 /nfs/dbraw/zinc/11/04/68/655110468.db2.gz SXMVEWHUGDMAKF-INIZCTEOSA-N 1 0 377.286 2.705 20 0 GFADRO CC[N@@H+]1CCC[C@@H](NC(=O)c2cnn(-c3cccc(Br)c3)c2)C1 ZINC000106773682 655111058 /nfs/dbraw/zinc/11/10/58/655111058.db2.gz DAWLBPCDKPYBMN-OAHLLOKOSA-N 1 0 377.286 2.849 20 0 GFADRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(Cc2cccc(Br)n2)CC1 ZINC000272390479 655111084 /nfs/dbraw/zinc/11/10/84/655111084.db2.gz HDBFHCMBERUVOZ-HZPDHXFCSA-N 1 0 381.362 2.835 20 0 GFADRO CC[NH+]1CCN([C@H]2CCN(C(=O)Nc3ccc(Br)cc3F)C2)CC1 ZINC000106938027 655115503 /nfs/dbraw/zinc/11/55/03/655115503.db2.gz QFIBZVLUHXMEJU-AWEZNQCLSA-N 1 0 399.308 2.832 20 0 GFADRO Cc1cc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)ccc1Br ZINC000106963257 655115768 /nfs/dbraw/zinc/11/57/68/655115768.db2.gz VJGZSEQFNOKQFX-CQSZACIVSA-N 1 0 394.313 2.829 20 0 GFADRO C[NH+]1CCC(C)(CNC(=O)CCN2C(=S)N=NC2c2cccs2)CC1 ZINC000272561370 655116445 /nfs/dbraw/zinc/11/64/45/655116445.db2.gz UDBMYJXNXXPXLN-UHFFFAOYSA-N 1 0 379.555 2.534 20 0 GFADRO COc1cc([C@@H](C)[NH2+]C2CCN(CCS(C)(=O)=O)CC2)ccc1SC ZINC000159981111 655118270 /nfs/dbraw/zinc/11/82/70/655118270.db2.gz YLGPLIDXLMAYTJ-CQSZACIVSA-N 1 0 386.583 2.577 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)NCC[N@H+](C)C(C)C ZINC000107351065 655120003 /nfs/dbraw/zinc/12/00/03/655120003.db2.gz UQJLTLIMJQDSPK-OAHLLOKOSA-N 1 0 386.583 2.807 20 0 GFADRO C[C@@H](NC(=O)c1ccc(I)c(F)c1)C1=CC[N@H+](C)CC1 ZINC000272823109 655122376 /nfs/dbraw/zinc/12/23/76/655122376.db2.gz XKLLTNDUMXFNGV-SNVBAGLBSA-N 1 0 388.224 2.811 20 0 GFADRO Cc1cc(NC(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)cnc1Br ZINC000272851457 655123461 /nfs/dbraw/zinc/12/34/61/655123461.db2.gz NSBNCUITWJTGMK-GJZGRUSLSA-N 1 0 397.317 2.652 20 0 GFADRO COc1ccc(Br)cc1CNC(=O)N[C@H](C)C1=CC[N@H+](C)CC1 ZINC000272892419 655124409 /nfs/dbraw/zinc/12/44/09/655124409.db2.gz ZPEVOKYWIVKNGG-GFCCVEGCSA-N 1 0 382.302 2.907 20 0 GFADRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)c1csc(I)c1 ZINC000107780179 655124667 /nfs/dbraw/zinc/12/46/67/655124667.db2.gz ZBDBCFATSPSOSV-VIFPVBQESA-N 1 0 376.263 2.567 20 0 GFADRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)c3ccc(Cl)nc3C(F)(F)F)[C@H]2C1 ZINC000839389718 661082146 /nfs/dbraw/zinc/08/21/46/661082146.db2.gz YAYSEHOIUZKBGZ-NWDGAFQWSA-N 1 0 377.794 2.689 20 0 GFADRO O=C(Nc1ccccc1Br)C(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000107872768 655125627 /nfs/dbraw/zinc/12/56/27/655125627.db2.gz IKCFNZGJXRVBCX-CQSZACIVSA-N 1 0 394.313 2.865 20 0 GFADRO COc1cc(Br)ccc1CCCS(=O)(=O)Cc1cncn1C ZINC000272955968 655126528 /nfs/dbraw/zinc/12/65/28/655126528.db2.gz NUZVFXHDXDWJMF-UHFFFAOYSA-N 1 0 387.299 2.739 20 0 GFADRO O=C(NC[C@H]1CC[NH2+]C1)c1cccnc1Oc1ccc(Br)cc1 ZINC000273075875 655129596 /nfs/dbraw/zinc/12/95/96/655129596.db2.gz WLONWOYPDJJXRR-LBPRGKRZSA-N 1 0 376.254 2.976 20 0 GFADRO CC(=O)Nc1ccc(S(=O)(=O)NCC[C@H](C)[NH+]2CCCCC2)cc1Cl ZINC000273102074 655130587 /nfs/dbraw/zinc/13/05/87/655130587.db2.gz OTYBAZOXZGWBFC-ZDUSSCGKSA-N 1 0 387.933 2.841 20 0 GFADRO C[N@@H+]1CCC[C@@H](CNC(=O)[C@@]23CCC(=O)N2c2cc(Cl)ccc2S3)C1 ZINC000108336858 655131169 /nfs/dbraw/zinc/13/11/69/655131169.db2.gz GPNCVANOBDKWTA-SGTLLEGYSA-N 1 0 379.913 2.727 20 0 GFADRO O=C(C[NH2+][C@@H](CO)c1ccc(Br)cc1)N1CCc2ccccc2C1 ZINC000273151673 655132630 /nfs/dbraw/zinc/13/26/30/655132630.db2.gz XGUDUCPTNHRZGB-SFHVURJKSA-N 1 0 389.293 2.657 20 0 GFADRO CC[NH+](CC)Cc1ccc(CNC(=O)c2cnn(C)c2Br)cc1 ZINC000273186284 655134506 /nfs/dbraw/zinc/13/45/06/655134506.db2.gz GADXMBRDOHVSMF-UHFFFAOYSA-N 1 0 379.302 2.954 20 0 GFADRO CC(C)[NH+]1CCC(N(C)S(=O)(=O)c2ccc(OCC(F)F)cc2)CC1 ZINC000273206760 655135083 /nfs/dbraw/zinc/13/50/83/655135083.db2.gz TVVJPNUOXLTQDB-UHFFFAOYSA-N 1 0 376.469 2.824 20 0 GFADRO CNC(=O)C(C)(C)C[NH2+][C@H](C)c1nnn(-c2cccc(Br)c2)c1C ZINC000273361880 655140689 /nfs/dbraw/zinc/14/06/89/655140689.db2.gz OOCARRYKPQPAQL-LLVKDONJSA-N 1 0 394.317 2.761 20 0 GFADRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)C(=O)Nc1cc(Cl)c(N)c(Cl)c1 ZINC000839477984 661085826 /nfs/dbraw/zinc/08/58/26/661085826.db2.gz DCIWSAFJGOWPDR-GHMZBOCLSA-N 1 0 387.311 2.893 20 0 GFADRO CC(C)C[NH+]1CCC(NC(=O)c2sccc2S(=O)(=O)C(F)F)CC1 ZINC000170979375 655147466 /nfs/dbraw/zinc/14/74/66/655147466.db2.gz ZENBKKKJGCDYKK-UHFFFAOYSA-N 1 0 380.482 2.595 20 0 GFADRO C[C@@H](CNC(=O)Nc1ccncc1I)C[NH+]1CCCC1 ZINC000273671303 655153377 /nfs/dbraw/zinc/15/33/77/655153377.db2.gz DNOZFWFOOGOIPN-NSHDSACASA-N 1 0 388.253 2.540 20 0 GFADRO CC(=O)N(c1nn(CN2CCC[C@@H]2C[NH+]2CCCC2)c(=S)s1)C1CC1 ZINC000172484096 655158111 /nfs/dbraw/zinc/15/81/11/655158111.db2.gz WTCKGSQZBZKGOB-OAHLLOKOSA-N 1 0 381.571 2.707 20 0 GFADRO O=C(Nc1cccc(I)c1)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000111243467 655167401 /nfs/dbraw/zinc/16/74/01/655167401.db2.gz IWIKWKHRNTXBHO-LLVKDONJSA-N 1 0 384.139 2.772 20 0 GFADRO C[C@@H](O)C1CC[NH+]([C@H](C)C(=O)N(C)Cc2ccc(Br)cc2)CC1 ZINC000111286958 655167990 /nfs/dbraw/zinc/16/79/90/655167990.db2.gz LQVKSNJDXSMWFD-ZIAGYGMSSA-N 1 0 383.330 2.889 20 0 GFADRO COCCC[N@H+](C)CCNS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000173429634 655171657 /nfs/dbraw/zinc/17/16/57/655171657.db2.gz WXWWMRWLYRREEO-UHFFFAOYSA-N 1 0 388.839 2.605 20 0 GFADRO O[C@H](C[NH2+]Cc1nc(-c2cccc(Br)c2)c[nH]1)COCC1CC1 ZINC000111383830 655172565 /nfs/dbraw/zinc/17/25/65/655172565.db2.gz ZXMZPAMUDNRHHO-OAHLLOKOSA-N 1 0 380.286 2.716 20 0 GFADRO Brc1cc(-c2nc([C@H]3C[N@@H+]4CCC[C@H]4CO3)no2)cc2c1OCO2 ZINC000274113370 655173639 /nfs/dbraw/zinc/17/36/39/655173639.db2.gz VURTUPDQPLSPFG-GXFFZTMASA-N 1 0 394.225 2.764 20 0 GFADRO CC[N@@H+]1CCCC[C@H]1CNC(=O)Cc1cc2c(cc1Br)OCCO2 ZINC000111663755 655175627 /nfs/dbraw/zinc/17/56/27/655175627.db2.gz WMSXVRYDRPIOBJ-AWEZNQCLSA-N 1 0 397.313 2.753 20 0 GFADRO CCC(CC)(C[NH3+])NS(=O)(=O)c1cc(Cl)cc(Br)c1OC ZINC000111832228 655177759 /nfs/dbraw/zinc/17/77/59/655177759.db2.gz BWVCADPFAAXTNQ-UHFFFAOYSA-N 1 0 399.738 2.907 20 0 GFADRO C[NH+]1CCC(CNC(=O)N[C@@H]2CCN(c3ccccc3Br)C2)CC1 ZINC000111857382 655178304 /nfs/dbraw/zinc/17/83/04/655178304.db2.gz KPKUQJSCRQRDPE-OAHLLOKOSA-N 1 0 395.345 2.669 20 0 GFADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)NCc1ccc(Br)cc1C ZINC000111865550 655178358 /nfs/dbraw/zinc/17/83/58/655178358.db2.gz TXQLVMLBVPQQLF-MRXNPFEDSA-N 1 0 384.318 2.668 20 0 GFADRO C[N@H+](CCCO)C1CCN(Cc2ccc(I)cc2)CC1 ZINC000173754890 655179984 /nfs/dbraw/zinc/17/99/84/655179984.db2.gz POEMMQHVDIUEBP-UHFFFAOYSA-N 1 0 388.293 2.570 20 0 GFADRO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2cc(S(=O)(=O)CC)ccc2Cl)C1 ZINC000173810048 655181905 /nfs/dbraw/zinc/18/19/05/655181905.db2.gz BIOFMLUEGICBCA-CQSZACIVSA-N 1 0 386.945 2.938 20 0 GFADRO COc1cc(C[NH2+]CCc2cn3c(n2)SCC3)cc(Br)c1O ZINC000274265135 655182690 /nfs/dbraw/zinc/18/26/90/655182690.db2.gz OXAKENVFEKVFFH-UHFFFAOYSA-N 1 0 384.299 2.798 20 0 GFADRO Brc1ccc2ncc(C[NH2+]CCc3cn4c(n3)SCC4)n2c1 ZINC000274282439 655183433 /nfs/dbraw/zinc/18/34/33/655183433.db2.gz VPGLFRJYYONTQX-UHFFFAOYSA-N 1 0 378.299 2.731 20 0 GFADRO COCC1CC[NH+](CC(=O)N(C)Cc2cc(Br)cs2)CC1 ZINC000112354632 655189254 /nfs/dbraw/zinc/18/92/54/655189254.db2.gz ZYZQXZOWCUDDBH-UHFFFAOYSA-N 1 0 375.332 2.827 20 0 GFADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCc2ccc(Br)cc21 ZINC000112455413 655191290 /nfs/dbraw/zinc/19/12/90/655191290.db2.gz ZKLZDBIKJKHKHD-HNNXBMFYSA-N 1 0 382.302 2.632 20 0 GFADRO CC[NH+]1CCN([C@@H](C)CNC(=O)c2[nH]c3ccccc3c2Br)CC1 ZINC000112917372 655199541 /nfs/dbraw/zinc/19/95/41/655199541.db2.gz JNFODSNSZGTBMM-ZDUSSCGKSA-N 1 0 393.329 2.686 20 0 GFADRO CC[NH+]1CCN([C@@H](C)CNc2ncnc3ccc(Br)cc32)CC1 ZINC000112964677 655200442 /nfs/dbraw/zinc/20/04/42/655200442.db2.gz KYJVYTHTYXTITC-ZDUSSCGKSA-N 1 0 378.318 2.830 20 0 GFADRO C[C@@H](NC(=O)N1CCC([N@H+](C)CCO)CC1)c1ccc(Br)cc1 ZINC000274853678 655204503 /nfs/dbraw/zinc/20/45/03/655204503.db2.gz NJFJSAUFLPFZLF-CYBMUJFWSA-N 1 0 384.318 2.608 20 0 GFADRO Cc1nc(NC(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)ccc1Br ZINC000274952942 655208701 /nfs/dbraw/zinc/20/87/01/655208701.db2.gz HGJCGBRTCVUSBV-CABCVRRESA-N 1 0 397.317 2.652 20 0 GFADRO CS[C@@H]1CN(C(=O)c2[nH]nc(C3CC3)c2Br)C[C@@H]1[NH+]1CCCC1 ZINC000275081989 655215642 /nfs/dbraw/zinc/21/56/42/655215642.db2.gz FPKPKMRPZSANMJ-NWDGAFQWSA-N 1 0 399.358 2.701 20 0 GFADRO COc1cc(C[NH2+][C@H]2CCCC[C@@H]2O)cc(I)c1OC ZINC000114215842 655218462 /nfs/dbraw/zinc/21/84/62/655218462.db2.gz LMTIFYALUHCLGP-STQMWFEESA-N 1 0 391.249 2.702 20 0 GFADRO O=S(=O)(Cc1ccc(Cl)nc1)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000114742499 655228296 /nfs/dbraw/zinc/22/82/96/655228296.db2.gz DPRXKLQXYQLAIU-KRWDZBQOSA-N 1 0 379.913 2.819 20 0 GFADRO C[NH+](C)CCN(Cc1ccccn1)C(=O)C(=O)c1ccc(Br)s1 ZINC000839705935 661101387 /nfs/dbraw/zinc/10/13/87/661101387.db2.gz LDWCSPCXAOAKOX-UHFFFAOYSA-N 1 0 396.310 2.679 20 0 GFADRO C[N@H+](CCNC(=O)c1cc(I)c[nH]1)C1CCCCC1 ZINC000115346740 655235859 /nfs/dbraw/zinc/23/58/59/655235859.db2.gz JQYHDSKQIHEUDG-UHFFFAOYSA-N 1 0 375.254 2.614 20 0 GFADRO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)c1cncc(Br)c1 ZINC000116249105 655246888 /nfs/dbraw/zinc/24/68/88/655246888.db2.gz ZTHBEHVEDDKJBZ-GUYCJALGSA-N 1 0 389.297 2.880 20 0 GFADRO CSc1nnc(CNC(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)s1 ZINC000275718876 655248372 /nfs/dbraw/zinc/24/83/72/655248372.db2.gz VPYWKJAYCUAVMD-LBPRGKRZSA-N 1 0 381.527 2.879 20 0 GFADRO CC(C)[C@@H](Oc1ccccc1Br)C(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000116789498 655253651 /nfs/dbraw/zinc/25/36/51/655253651.db2.gz IYBDMJLYOQWSGC-RHSMWYFYSA-N 1 0 399.329 2.642 20 0 GFADRO Cc1sc(=O)n(CC(=O)Nc2ccc(OCC[NH+](C)C)c(Cl)c2)c1C ZINC000116817035 655254254 /nfs/dbraw/zinc/25/42/54/655254254.db2.gz QGOGZXZDIRILKF-UHFFFAOYSA-N 1 0 383.901 2.759 20 0 GFADRO CCO[C@H](CC[NH+](C)C)CNC(=O)[C@H](C)Oc1cccc(Br)c1 ZINC000176903065 655260060 /nfs/dbraw/zinc/26/00/60/655260060.db2.gz LMBRTEQXTMXTIE-XJKSGUPXSA-N 1 0 387.318 2.689 20 0 GFADRO CC[C@@H](Cc1cccc(Br)c1)C(=O)NC[C@@H](C)N1CC[NH+](C)CC1 ZINC000117259879 655262595 /nfs/dbraw/zinc/26/25/95/655262595.db2.gz VQRSZBWTMWDCAH-WBVHZDCISA-N 1 0 396.373 2.770 20 0 GFADRO Cc1cc(S(=O)(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)sc1Br ZINC000176934608 655262603 /nfs/dbraw/zinc/26/26/03/655262603.db2.gz OBSSMQBPXUAVTI-LBPRGKRZSA-N 1 0 393.372 2.925 20 0 GFADRO CN(CC[NH+](C)C)C(=O)Nc1cc(F)c(I)c(F)c1 ZINC000176943260 655263198 /nfs/dbraw/zinc/26/31/98/655263198.db2.gz SOESCXZJPZLRKT-UHFFFAOYSA-N 1 0 383.180 2.595 20 0 GFADRO CSC[C@@H](O)C[N@H+](C)Cc1cccc(Br)c1OCC(C)(C)O ZINC000276138323 655264269 /nfs/dbraw/zinc/26/42/69/655264269.db2.gz MYNCPGSWGKIRQC-ZDUSSCGKSA-N 1 0 392.359 2.755 20 0 GFADRO Cc1csc(C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)c1I ZINC000276139220 655264352 /nfs/dbraw/zinc/26/43/52/655264352.db2.gz CBRSDAYKOGPEFT-QWRGUYRKSA-N 1 0 390.290 2.827 20 0 GFADRO CN1CCN(C)[C@H](C[NH2+][C@@H](c2cccc(Br)c2)C2CCOCC2)C1 ZINC000276140121 655264367 /nfs/dbraw/zinc/26/43/67/655264367.db2.gz NGRPFOWKZNWZSR-RTBURBONSA-N 1 0 396.373 2.752 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1nn(-c2ccc(F)cc2)cc1Br ZINC000117746266 655267747 /nfs/dbraw/zinc/26/77/47/655267747.db2.gz DFBVVMYXVRGQLG-CQSZACIVSA-N 1 0 395.276 2.988 20 0 GFADRO C[C@@H](CNC(=O)c1nn(-c2ccc(F)cc2)cc1Br)[N@H+](C)C1CC1 ZINC000117785392 655268102 /nfs/dbraw/zinc/26/81/02/655268102.db2.gz YXUWWEJPXUTAMH-NSHDSACASA-N 1 0 395.276 2.986 20 0 GFADRO Cc1ccc(NC(=O)C(=O)NCC[N@@H+](C)C2CCCC2)cc1Br ZINC000118132015 655272373 /nfs/dbraw/zinc/27/23/73/655272373.db2.gz SZVWNJUMQZPTDB-UHFFFAOYSA-N 1 0 382.302 2.687 20 0 GFADRO CS(=O)(=O)N1CCC[N@H+](CCSc2ccnc3cc(Cl)ccc32)CC1 ZINC000177427629 655276419 /nfs/dbraw/zinc/27/64/19/655276419.db2.gz UTOLMDVJBPYZSN-UHFFFAOYSA-N 1 0 399.969 2.948 20 0 GFADRO O=C(NCCC[NH+]1CCC(O)CC1)c1ccc(Br)cc1Cl ZINC000118723043 655281174 /nfs/dbraw/zinc/28/11/74/655281174.db2.gz HLWOIZZMOZKLLI-UHFFFAOYSA-N 1 0 375.694 2.679 20 0 GFADRO Cc1ccc([C@H](C[NH2+][C@@H](C)Cn2cc(Br)cn2)N2CCOCC2)o1 ZINC000118953606 655284146 /nfs/dbraw/zinc/28/41/46/655284146.db2.gz VXYFIXKZJYLKLN-BBRMVZONSA-N 1 0 397.317 2.599 20 0 GFADRO COCC[N@@H+]1CC[C@@H](NC(=O)Nc2cccc(Cl)c2Br)C1 ZINC000276713395 655284653 /nfs/dbraw/zinc/28/46/53/655284653.db2.gz DSQMLFLQJAOYIQ-SNVBAGLBSA-N 1 0 376.682 2.945 20 0 GFADRO O=C(NCCC[NH+]1CCCCC1)N[C@@H](CO)c1cccc(Br)c1 ZINC000177891142 655290430 /nfs/dbraw/zinc/29/04/30/655290430.db2.gz GNPYKIWQVGRVFX-INIZCTEOSA-N 1 0 384.318 2.658 20 0 GFADRO Cn1cc(Br)cc(NC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)c1=O ZINC000177966564 655292840 /nfs/dbraw/zinc/29/28/40/655292840.db2.gz KXBXFCRLSSUZAS-HNNXBMFYSA-N 1 0 393.285 2.572 20 0 GFADRO C[NH+](C)C1CCN(C(=O)c2cc(I)c(F)cc2F)CC1 ZINC000119217267 655293495 /nfs/dbraw/zinc/29/34/95/655293495.db2.gz VTCOGUATNAIPHL-UHFFFAOYSA-N 1 0 394.203 2.736 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000178006212 655295113 /nfs/dbraw/zinc/29/51/13/655295113.db2.gz LKZPEONJGPTZAA-CABCVRRESA-N 1 0 396.329 2.993 20 0 GFADRO CN1C(=O)C[C@H]([NH2+][C@@H]2CCC[C@@H](S(C)(=O)=O)C2)[C@@H]1c1ccc(Cl)cc1 ZINC000276963292 655295433 /nfs/dbraw/zinc/29/54/33/655295433.db2.gz QHOQMNMLHLWDDZ-CBZIJGRNSA-N 1 0 384.929 2.557 20 0 GFADRO CCO[C@@H](CC[NH+](C)C)CNC(=O)C(=O)Nc1cc(Cl)c(C)cc1Cl ZINC000119307680 655298000 /nfs/dbraw/zinc/29/80/00/655298000.db2.gz INJQQKDRKUNSGL-LBPRGKRZSA-N 1 0 390.311 2.713 20 0 GFADRO CCN(CC)S(=O)(=O)c1ccc(CC[NH2+][C@@H]2C[C@H](C)N(C3CC3)C2)s1 ZINC000119379708 655301749 /nfs/dbraw/zinc/30/17/49/655301749.db2.gz CJORZQNAEMNPKC-LSDHHAIUSA-N 1 0 385.599 2.536 20 0 GFADRO C[C@@H](C(=O)NCCS(=O)(=O)c1ccc(Cl)cc1)[C@@H]([NH3+])c1ccccc1 ZINC000178411338 655303205 /nfs/dbraw/zinc/30/32/05/655303205.db2.gz KWCOPIAHFIXNMH-CXAGYDPISA-N 1 0 380.897 2.566 20 0 GFADRO C[NH+](C)[C@H]1CCCN(C(=O)Cc2cc3c(cc2Br)OCCO3)CC1 ZINC000277100751 655303354 /nfs/dbraw/zinc/30/33/54/655303354.db2.gz CLBOBIDOLYDESZ-AWEZNQCLSA-N 1 0 397.313 2.706 20 0 GFADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)c1c(Cl)cc(F)cc1Cl ZINC000277184045 655306819 /nfs/dbraw/zinc/30/68/19/655306819.db2.gz FARDNVYOSZFXHR-CQSZACIVSA-N 1 0 390.286 2.805 20 0 GFADRO [NH3+][C@H]1CC[C@H](C(=O)N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)C1 ZINC000178657263 655307202 /nfs/dbraw/zinc/30/72/02/655307202.db2.gz CEBVNFMFJLEDQQ-JQWIXIFHSA-N 1 0 376.810 2.530 20 0 GFADRO C[C@@H]([NH3+])CCNC(=O)c1ccccc1N(C)C(=O)c1ccc(Br)o1 ZINC000178664313 655307342 /nfs/dbraw/zinc/30/73/42/655307342.db2.gz CAFNBEBNPPMBMH-LLVKDONJSA-N 1 0 394.269 2.786 20 0 GFADRO O=C(CCc1ncc(-c2ccccc2Br)o1)NC[C@H]1CCC[NH2+]1 ZINC000178740638 655308844 /nfs/dbraw/zinc/30/88/44/655308844.db2.gz YATWEOLQAWIZNH-GFCCVEGCSA-N 1 0 378.270 2.905 20 0 GFADRO CCc1c(C(=O)NC[C@H]2CCC[NH2+]2)cnn1-c1ccc(Br)cc1 ZINC000178758107 655309532 /nfs/dbraw/zinc/30/95/32/655309532.db2.gz BHZAIFMCALHKAC-CYBMUJFWSA-N 1 0 377.286 2.679 20 0 GFADRO CC[NH2+]CC1CCN(S(=O)(=O)c2cc(Br)cnc2Cl)CC1 ZINC000178968081 655310869 /nfs/dbraw/zinc/31/08/69/655310869.db2.gz IAUDVPZAZRBWQW-UHFFFAOYSA-N 1 0 396.738 2.508 20 0 GFADRO C[C@@H]([NH2+]C1CCN(S(=O)(=O)C(C)(C)C)CC1)c1ccc([S@](C)=O)cc1 ZINC000277346466 655313958 /nfs/dbraw/zinc/31/39/58/655313958.db2.gz YRIKTHWHKJJFJD-SHACYNPGSA-N 1 0 386.583 2.667 20 0 GFADRO CCCS(=O)(=O)Nc1cc(NC(=O)C2([NH+](C)C)CCC2)c(F)cc1F ZINC000119776802 655314755 /nfs/dbraw/zinc/31/47/55/655314755.db2.gz NUDHMSRYOJORND-UHFFFAOYSA-N 1 0 375.441 2.539 20 0 GFADRO CCS(=O)(=O)C[C@H](C)[N@H+](C)CCC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000179675268 655316006 /nfs/dbraw/zinc/31/60/06/655316006.db2.gz MQVLMXYKLRMEPQ-HNNXBMFYSA-N 1 0 376.563 2.779 20 0 GFADRO Cc1c(Br)cc(C(=O)NC[C@@H]2CCC[N@@H+](CC(C)C)C2)c(=O)n1C ZINC000277380730 655316039 /nfs/dbraw/zinc/31/60/39/655316039.db2.gz IITGXIDMMRCCKR-AWEZNQCLSA-N 1 0 398.345 2.554 20 0 GFADRO C[C@@H]1COCC[C@H]1[NH2+]C[C@H](O)COc1ccc(Cl)cc1Br ZINC000277404142 655317473 /nfs/dbraw/zinc/31/74/73/655317473.db2.gz JFURUYSHFWMLEH-SCDSUCTJSA-N 1 0 378.694 2.857 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C(=O)NC[C@@H]1CCC[N@H+]1C ZINC000119885718 655319628 /nfs/dbraw/zinc/31/96/28/655319628.db2.gz CCPVBDSOKGIHQQ-HNNXBMFYSA-N 1 0 377.286 2.767 20 0 GFADRO O=C(Nc1cccc(C[NH2+][C@H]2CCS(=O)(=O)C2)c1)c1ccc(Cl)cc1 ZINC000119888176 655319856 /nfs/dbraw/zinc/31/98/56/655319856.db2.gz UZJKQSFPMRAMOG-KRWDZBQOSA-N 1 0 378.881 2.869 20 0 GFADRO C[C@@H](CC(=O)N(C)C)[NH2+][C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000119905555 655320646 /nfs/dbraw/zinc/32/06/46/655320646.db2.gz PCPDATGTYVNPAR-JQWIXIFHSA-N 1 0 378.826 2.789 20 0 GFADRO Cc1ccc(I)c(C(=O)Nc2ccn(CC[NH+](C)C)n2)c1 ZINC000119968960 655323318 /nfs/dbraw/zinc/32/33/18/655323318.db2.gz OJMZFKHDCMXWCX-UHFFFAOYSA-N 1 0 398.248 2.610 20 0 GFADRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C1(c2ccc(Br)cc2)CCOCC1 ZINC000277510885 655323678 /nfs/dbraw/zinc/32/36/78/655323678.db2.gz KLURWEQULVBCTC-CZUORRHYSA-N 1 0 381.314 2.612 20 0 GFADRO C[NH+](C)CCOc1cccc(CNC(=O)c2nc(Br)cs2)c1 ZINC000120000324 655324654 /nfs/dbraw/zinc/32/46/54/655324654.db2.gz RXLBQVWVYZLBJI-UHFFFAOYSA-N 1 0 384.299 2.776 20 0 GFADRO C[C@@H]1C[N@@H+](C2CCN(C(=O)Nc3cccnc3Br)CC2)CCO1 ZINC000120057776 655326190 /nfs/dbraw/zinc/32/61/90/655326190.db2.gz QHWHHODAOICYTI-GFCCVEGCSA-N 1 0 383.290 2.561 20 0 GFADRO CC(C)(C)NS(=O)(=O)c1cc(C(=O)NNc2cc[nH+]cc2)ccc1Cl ZINC000180480793 655327280 /nfs/dbraw/zinc/32/72/80/655327280.db2.gz NOSQVHUBKFYYPI-UHFFFAOYSA-N 1 0 382.873 2.569 20 0 GFADRO C[C@@H](NC(=O)c1cnnn1-c1c(Cl)cccc1Cl)C1=CC[N@H+](C)CC1 ZINC000280759688 655330457 /nfs/dbraw/zinc/33/04/57/655330457.db2.gz GKWLZALCMFVIJD-LLVKDONJSA-N 1 0 380.279 2.954 20 0 GFADRO Cc1nc(-c2cc3c(s2)CCN(CC(=O)N2CCO[C@H](C)C2)C3)cs1 ZINC000180879681 655330957 /nfs/dbraw/zinc/33/09/57/655330957.db2.gz JCQOQEGLSJIPSE-GFCCVEGCSA-N 1 0 377.535 2.785 20 0 GFADRO Cc1onc(-c2ccc(Cl)cc2Cl)c1C(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000280979125 655331485 /nfs/dbraw/zinc/33/14/85/655331485.db2.gz CSUFNSGORVEUFA-QGZVFWFLSA-N 1 0 386.279 2.999 20 0 GFADRO CC(C)OCC[NH+]1CCC(NC(=O)Nc2cccnc2Br)CC1 ZINC000120235341 655332101 /nfs/dbraw/zinc/33/21/01/655332101.db2.gz XPSYNNYVGXTDNQ-UHFFFAOYSA-N 1 0 385.306 2.855 20 0 GFADRO O=C1N[C@H]2C[N@H+](CC3=Cc4cc(Br)ccc4OC3)CC[C@@H]2CO1 ZINC000281258126 655332909 /nfs/dbraw/zinc/33/29/09/655332909.db2.gz MXQPZKHXTHVKSO-DOMZBBRYSA-N 1 0 379.254 2.655 20 0 GFADRO Cc1nc(Br)ccc1NC(=O)N(CC[NH+](C)C)C[C@H]1CCCO1 ZINC000181314597 655335032 /nfs/dbraw/zinc/33/50/32/655335032.db2.gz FFHBAUZGZSQIQN-CYBMUJFWSA-N 1 0 385.306 2.727 20 0 GFADRO O=C(Nc1cccnc1Br)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000120524747 655337987 /nfs/dbraw/zinc/33/79/87/655337987.db2.gz HSMGDQHEGSXPEZ-CABCVRRESA-N 1 0 397.317 2.734 20 0 GFADRO C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)NCC1CC[NH2+]CC1 ZINC000120537678 655338589 /nfs/dbraw/zinc/33/85/89/655338589.db2.gz JMRADTNOUUHUIG-SNVBAGLBSA-N 1 0 375.694 2.986 20 0 GFADRO CC[C@@H]1CN(C(=O)Nc2cc(Br)ccc2F)CC[N@@H+]1C[C@@H](C)O ZINC000120552029 655338757 /nfs/dbraw/zinc/33/87/57/655338757.db2.gz AQKIZMNSSAHIEE-DGCLKSJQSA-N 1 0 388.281 2.897 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)c2ccc(F)c(I)c2)C[N@@H+]1C1CC1 ZINC000120557418 655339132 /nfs/dbraw/zinc/33/91/32/655339132.db2.gz TUKVCRFXRWZXNH-MWLCHTKSSA-N 1 0 388.224 2.785 20 0 GFADRO Cn1ccnc1[C@H](O)C1CC[NH+](C[C@H](O)c2ccc(Br)cc2)CC1 ZINC000120569768 655339441 /nfs/dbraw/zinc/33/94/41/655339441.db2.gz OQHOKBFMHYHTGX-DLBZAZTESA-N 1 0 394.313 2.662 20 0 GFADRO COc1ccc([C@H](C)[NH2+]CC(=O)N2C[C@H](C)O[C@@H](C)C2)cc1Br ZINC000120611855 655340526 /nfs/dbraw/zinc/34/05/26/655340526.db2.gz DZNCOAQHEOJEAC-AVGNSLFASA-N 1 0 385.302 2.744 20 0 GFADRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)NCc1ccc(O)c(Br)c1 ZINC000289301262 655345929 /nfs/dbraw/zinc/34/59/29/655345929.db2.gz VPKYLTMGUSRMEU-SWLSCSKDSA-N 1 0 382.302 2.923 20 0 GFADRO CC(C)[C@H]1C[N@H+](C)CCN1CN1CC[C@@H](c2cccc(Br)c2)C1=O ZINC000840007627 661124123 /nfs/dbraw/zinc/12/41/23/661124123.db2.gz PIQZPJIZVLTYRD-ZWKOTPCHSA-N 1 0 394.357 2.995 20 0 GFADRO COC[C@H]1CC[N@H+](CN2C(=O)C[C@](C)(c3ccc(Cl)c(Cl)c3)C2=O)C1 ZINC000840008206 661124259 /nfs/dbraw/zinc/12/42/59/661124259.db2.gz SJDAOGKIDROICA-KPZWWZAWSA-N 1 0 385.291 2.936 20 0 GFADRO Cn1cc(Br)c(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000292616606 655352530 /nfs/dbraw/zinc/35/25/30/655352530.db2.gz XEJFQSPULNFZJS-UHFFFAOYSA-N 1 0 377.286 2.577 20 0 GFADRO CS(=O)(=O)N1CCC(C[NH2+]Cc2ccc(Sc3ccccn3)o2)CC1 ZINC000292891312 655356119 /nfs/dbraw/zinc/35/61/19/655356119.db2.gz DPJMCOTVPXHZAX-UHFFFAOYSA-N 1 0 381.523 2.587 20 0 GFADRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)c3c[nH]nc3-c3ccc(Cl)s3)[C@H]2C1 ZINC000293771585 655361763 /nfs/dbraw/zinc/36/17/63/655361763.db2.gz AVBZIQCGXNYILA-QWHCGFSZSA-N 1 0 380.901 2.727 20 0 GFADRO C[C@]([NH3+])(C(=O)NC[C@@H](CCO)c1ccccc1)c1ccc(Br)cc1 ZINC000293975218 655363687 /nfs/dbraw/zinc/36/36/87/655363687.db2.gz BHAAZRXQNFCJDC-DNVCBOLYSA-N 1 0 391.309 2.905 20 0 GFADRO C[C@H](Oc1cccc(Br)c1)C(=O)Nc1ccnn1CC[NH+](C)C ZINC000294054729 655364640 /nfs/dbraw/zinc/36/46/40/655364640.db2.gz LPQBTVVWWJOGCV-LBPRGKRZSA-N 1 0 381.274 2.613 20 0 GFADRO CC(C)N1C(=O)CN(C[N@@H+]2CC[C@H](Cc3ccc(Br)cc3)C2)C1=O ZINC000840084074 661129889 /nfs/dbraw/zinc/12/98/89/661129889.db2.gz PPAUIKAOOSWXQL-OAHLLOKOSA-N 1 0 394.313 2.944 20 0 GFADRO CC[N@@H+]1CC[C@H]2OCCN(Cn3nc(Cc4cccs4)oc3=S)[C@H]2C1 ZINC000840083880 661130151 /nfs/dbraw/zinc/13/01/51/661130151.db2.gz MOMLFGPSFJLMBS-LSDHHAIUSA-N 1 0 380.539 2.610 20 0 GFADRO CCc1sc(C(=O)N(CC[NH+](CC)CC)[C@@H]2CCS(=O)(=O)C2)cc1C ZINC000299614595 655377203 /nfs/dbraw/zinc/37/72/03/655377203.db2.gz IFNYXYNAWIJKQD-OAHLLOKOSA-N 1 0 386.583 2.590 20 0 GFADRO Cc1ccc(I)c(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)c1 ZINC000299626537 655377487 /nfs/dbraw/zinc/37/74/87/655377487.db2.gz FVDPUQIFWSLVGD-LSDHHAIUSA-N 1 0 384.261 2.956 20 0 GFADRO C[C@@]1(CNS(=O)(=O)c2cccnc2Cl)CC[N@H+](Cc2ccccc2)C1 ZINC000310953132 655379165 /nfs/dbraw/zinc/37/91/65/655379165.db2.gz ZRLCHDZUYBLUKB-SFHVURJKSA-N 1 0 379.913 2.926 20 0 GFADRO C[N@@H+]1CCCC[C@H]1CN1CCN(Cn2nc(C(F)(F)F)sc2=S)CC1 ZINC000188680494 655381362 /nfs/dbraw/zinc/38/13/62/655381362.db2.gz OATZLCFZECKDST-LBPRGKRZSA-N 1 0 395.520 2.752 20 0 GFADRO O=c1c(Br)c(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cnn1CC(F)(F)F ZINC000322440932 655383126 /nfs/dbraw/zinc/38/31/26/655383126.db2.gz CPPRXVAUACSJAI-VHSXEESVSA-N 1 0 395.223 2.607 20 0 GFADRO Cc1c(Cl)cc(S(=O)(=O)NCc2ccc(CC[NH3+])cc2)cc1[N+](=O)[O-] ZINC000327397295 655386208 /nfs/dbraw/zinc/38/62/08/655386208.db2.gz ZZOGAXYBJXLCJC-UHFFFAOYSA-N 1 0 383.857 2.536 20 0 GFADRO O=C(c1cc(-c2ccc(Br)cc2)n[nH]1)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000333816022 655388094 /nfs/dbraw/zinc/38/80/94/655388094.db2.gz KCUUEWUCQVJZPQ-KRWDZBQOSA-N 1 0 375.270 2.807 20 0 GFADRO O=C1N[C@@H](Cc2cc(Cl)cc(Cl)c2)C(=O)N1C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000349232633 655388726 /nfs/dbraw/zinc/38/87/26/655388726.db2.gz FYFYIENNKVBBMY-BZNIZROVSA-N 1 0 382.291 2.941 20 0 GFADRO CC[C@H](C)[N@H+](C)CCN1C(=O)CN(Cc2cccc(Br)c2)C1=O ZINC000349376813 655389637 /nfs/dbraw/zinc/38/96/37/655389637.db2.gz UPLRHGJQGNNDHT-ZDUSSCGKSA-N 1 0 382.302 2.944 20 0 GFADRO CC[N@H+](CCN1C(=O)[C@H](c2cccc(Br)c2)N(C)C1=O)C1CC1 ZINC000349429629 655390233 /nfs/dbraw/zinc/39/02/33/655390233.db2.gz QVKFGYXUMRNLOZ-HNNXBMFYSA-N 1 0 380.286 2.869 20 0 GFADRO O=C1[C@H]([N@@H+]2CCC[C@H](C3OCCO3)C2)CCN1c1cccc(Br)c1 ZINC000192072674 655402265 /nfs/dbraw/zinc/40/22/65/655402265.db2.gz NMMDZWRSEMUCQT-XJKSGUPXSA-N 1 0 395.297 2.639 20 0 GFADRO C[C@H](NC(=O)N1CCN(c2cccc(Br)c2)CC1)[C@H]1CCC[NH2+]C1 ZINC000418350840 655405693 /nfs/dbraw/zinc/40/56/93/655405693.db2.gz SWGMGCJXDYVKLW-GJZGRUSLSA-N 1 0 395.345 2.669 20 0 GFADRO CC(C)(COc1ncc(Cl)cc1Cl)NC(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000418356260 655405823 /nfs/dbraw/zinc/40/58/23/655405823.db2.gz XPCZMGNOURHVHZ-LLVKDONJSA-N 1 0 375.300 2.845 20 0 GFADRO C[C@@H](NC(=O)C(=O)N1CC[C@]2(CCC[NH2+]2)C1)c1cc(F)c(Cl)cc1Cl ZINC000418827495 655405869 /nfs/dbraw/zinc/40/58/69/655405869.db2.gz CBPPLQGLNJVPQZ-BMLIUANNSA-N 1 0 388.270 2.664 20 0 GFADRO C[C@H](NC(=O)N1C[C@@H](C)[N@H+](CCO)C[C@@H]1C)c1ccc(Br)s1 ZINC000419496036 655406891 /nfs/dbraw/zinc/40/68/91/655406891.db2.gz SWSCJIRVQWSGLB-WOPDTQHZSA-N 1 0 390.347 2.668 20 0 GFADRO O=S(=O)(c1ccc(Br)cc1Cl)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000420471334 655407477 /nfs/dbraw/zinc/40/74/77/655407477.db2.gz AHWPFQFLGOPNNR-CYBMUJFWSA-N 1 0 379.707 2.619 20 0 GFADRO O=C1c2cc(Br)ccc2CN1C[N@H+]1CCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000840119628 661135932 /nfs/dbraw/zinc/13/59/32/661135932.db2.gz IABBQJDGSPRZKE-DJIMGWMZSA-N 1 0 379.298 2.988 20 0 GFADRO NC(=O)[C@H]([NH2+][C@H]1CCc2ccccc2OC1)c1ccc(Br)cc1 ZINC000509514483 655417153 /nfs/dbraw/zinc/41/71/53/655417153.db2.gz DZNGAHYILAZELE-DOTOQJQBSA-N 1 0 375.266 2.959 20 0 GFADRO NC(=O)[C@@H]([NH2+][C@@H]1CCc2ccccc2OC1)c1ccc(Br)cc1 ZINC000509514487 655417184 /nfs/dbraw/zinc/41/71/84/655417184.db2.gz DZNGAHYILAZELE-WBVHZDCISA-N 1 0 375.266 2.959 20 0 GFADRO Cc1sc(Br)cc1S(=O)(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000228541600 655423183 /nfs/dbraw/zinc/42/31/83/655423183.db2.gz NQUIIGRUYVGIEN-HBNTYKKESA-N 1 0 379.345 2.567 20 0 GFADRO CC(C)OC(=O)[C@@H](C)C[NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000566063109 655424498 /nfs/dbraw/zinc/42/44/98/655424498.db2.gz CSIHAZWSVLXUJU-SMDDNHRTSA-N 1 0 392.265 2.505 20 0 GFADRO Cc1cc(C[NH2+]C[C@H](O)COc2cc(F)cc(Br)c2)nc(C)n1 ZINC000566064210 655424499 /nfs/dbraw/zinc/42/44/99/655424499.db2.gz GFXYQBUINLGIAR-HNNXBMFYSA-N 1 0 384.249 2.525 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000566067569 655424679 /nfs/dbraw/zinc/42/46/79/655424679.db2.gz OJKAPZXCCFWZIH-QGZVFWFLSA-N 1 0 377.286 2.754 20 0 GFADRO C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)[C@H]2CC[NH2+][C@H]2C)CC1 ZINC000574154465 655425679 /nfs/dbraw/zinc/42/56/79/655425679.db2.gz GABHUOBTAWAAMD-ZQIUZPCESA-N 1 0 380.330 2.652 20 0 GFADRO O=C([C@@H]1CCC[N@@H+](C[C@H](O)c2ccc(Cl)cc2Cl)C1)N1CCOCC1 ZINC000245653945 655428177 /nfs/dbraw/zinc/42/81/77/655428177.db2.gz NPQNNQCNHVTBPI-DYVFJYSZSA-N 1 0 387.307 2.598 20 0 GFADRO C[C@@H]1CCN(c2ncnc3cccc(I)c32)C[C@@H]1C[NH3+] ZINC000574300019 655428440 /nfs/dbraw/zinc/42/84/40/655428440.db2.gz DKXGAFCGDFFAII-MNOVXSKESA-N 1 0 382.249 2.656 20 0 GFADRO COCC[N@H+]1[C@H](C)CN([C@H](C)C(=O)Nc2ccc(Br)cc2)C[C@@H]1C ZINC000246635576 655430248 /nfs/dbraw/zinc/43/02/48/655430248.db2.gz JHVPCQPVLUARCT-QLFBSQMISA-N 1 0 398.345 2.817 20 0 GFADRO CC(C)[N@@H+]1CC[C@H](CNC(=O)[C@@](N)(c2cccc(Cl)c2)C(F)(F)F)C1 ZINC000574791508 655430771 /nfs/dbraw/zinc/43/07/71/655430771.db2.gz MZFCVOBRDINXTG-WBMJQRKESA-N 1 0 377.838 2.903 20 0 GFADRO C[C@@H](ON=C(N)C[N@@H+]1CCCC[C@@H]1C)C(=O)Nc1ccccc1Br ZINC000246997489 655431047 /nfs/dbraw/zinc/43/10/47/655431047.db2.gz KMRSIHHUSOTBLP-QWHCGFSZSA-N 1 0 397.317 2.939 20 0 GFADRO COCC[NH2+]C1CCN(C(=O)c2[nH]c3ccccc3c2Br)CC1 ZINC000574819769 655431501 /nfs/dbraw/zinc/43/15/01/655431501.db2.gz JKBWOCXAGSHDAZ-UHFFFAOYSA-N 1 0 380.286 2.771 20 0 GFADRO O=C(Nc1cccc(C[N@H+]2CC[C@@H](O)C2)c1)c1ncsc1Br ZINC000574821244 655431509 /nfs/dbraw/zinc/43/15/09/655431509.db2.gz BDAAPINQTYWYNG-GFCCVEGCSA-N 1 0 382.283 2.725 20 0 GFADRO CO[C@H]1CCN(C(=O)c2cc(Cl)cc(F)c2Br)[C@@H](C[NH3+])C1 ZINC000574869492 655432553 /nfs/dbraw/zinc/43/25/53/655432553.db2.gz DAPYYJPKKVYZIJ-ZJUUUORDSA-N 1 0 379.657 2.820 20 0 GFADRO COc1cc(C)ccc1C[NH2+]C[C@@H]1CCN(S(=O)(=O)c2cccs2)C1 ZINC000574876109 655432643 /nfs/dbraw/zinc/43/26/43/655432643.db2.gz ZOEGVOGIUWJDPO-HNNXBMFYSA-N 1 0 380.535 2.866 20 0 GFADRO COCC[N@H+](C)C[C@@H](O)CNC1(c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000574887047 655432763 /nfs/dbraw/zinc/43/27/63/655432763.db2.gz HZDMFMOMLCJOHM-ZDUSSCGKSA-N 1 0 380.838 2.877 20 0 GFADRO CCO[C@@H]1C[C@@]([NH3+])(C(=O)NC[C@@H](O)c2c(Cl)cccc2Cl)C1(C)C ZINC000249064744 655433705 /nfs/dbraw/zinc/43/37/05/655433705.db2.gz IEWIMPNPAIVNPG-PBFPGSCMSA-N 1 0 375.296 2.676 20 0 GFADRO C[C@@H](NC(=O)N[C@@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1)c1ncc(Br)cn1 ZINC000574953568 655433781 /nfs/dbraw/zinc/43/37/81/655433781.db2.gz RKRUXLIXNMHKQG-RFQIPJPRSA-N 1 0 398.349 2.966 20 0 GFADRO Cc1cc(Br)cn2cc(CNC(=O)N[C@@H](C)[C@@H]3CCC[NH2+]C3)nc12 ZINC000575108635 655435820 /nfs/dbraw/zinc/43/58/20/655435820.db2.gz WKYDZPKXLGOBQZ-QWHCGFSZSA-N 1 0 394.317 2.593 20 0 GFADRO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)/C=C\c1ccc(I)o1 ZINC000255013593 655436421 /nfs/dbraw/zinc/43/64/21/655436421.db2.gz ACFNNLJOIHWKLD-SCXUMTSISA-N 1 0 388.249 2.696 20 0 GFADRO Cc1cc(OC[C@H](O)C[NH2+][C@@H](C)CS(C)(=O)=O)c(C(C)C)cc1Cl ZINC000575861604 655438640 /nfs/dbraw/zinc/43/86/40/655438640.db2.gz CGIZGXXGMBBOHZ-UONOGXRCSA-N 1 0 377.934 2.534 20 0 GFADRO CC(C)[N@H+](C)CCNS(=O)(=O)Cc1cc(Cl)ccc1Br ZINC000575864998 655438768 /nfs/dbraw/zinc/43/87/68/655438768.db2.gz GWOAXXBTGLBCCC-UHFFFAOYSA-N 1 0 383.739 2.862 20 0 GFADRO O=C(N[C@@H](c1cncc(Br)c1)C1CC1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000575900289 655439563 /nfs/dbraw/zinc/43/95/63/655439563.db2.gz XNCYWRUDCXHUOU-OWCLPIDISA-N 1 0 379.302 2.831 20 0 GFADRO Cc1cc(Br)cn2cc(C[NH2+]C[C@@H](O)COc3ccccc3)nc12 ZINC000576031242 655442113 /nfs/dbraw/zinc/44/21/13/655442113.db2.gz JXMWKYVABMAKKP-MRXNPFEDSA-N 1 0 390.281 2.935 20 0 GFADRO C[C@@H]([NH3+])CC(=O)Nc1ccc(-c2sc(CC(N)=O)cc2Br)cc1 ZINC000261751748 655442186 /nfs/dbraw/zinc/44/21/86/655442186.db2.gz HHHWEKLCWGOWHA-SECBINFHSA-N 1 0 396.310 2.881 20 0 GFADRO O=S(=O)(NCC[NH2+]CC1Cc2ccccc2C1)c1ccc(Cl)cc1F ZINC000576037514 655442363 /nfs/dbraw/zinc/44/23/63/655442363.db2.gz JWDDREXPLBJGAM-UHFFFAOYSA-N 1 0 382.888 2.762 20 0 GFADRO O=C(NCc1nc2c(cccc2Br)[nH]1)NC1CC[NH+](C2CC2)CC1 ZINC000576085252 655442787 /nfs/dbraw/zinc/44/27/87/655442787.db2.gz ABHWXHVMJZIEIL-UHFFFAOYSA-N 1 0 392.301 2.751 20 0 GFADRO COCC[NH2+]CCNC(=O)c1ccsc1NC(=O)c1ccccc1Cl ZINC000262167027 655444203 /nfs/dbraw/zinc/44/42/03/655444203.db2.gz UNVPLJBJIFWHHF-UHFFFAOYSA-N 1 0 381.885 2.620 20 0 GFADRO OC[C@H](C[NH2+]C[C@@H](O)COc1ccc(Br)cc1)c1ccccc1 ZINC000576160162 655444637 /nfs/dbraw/zinc/44/46/37/655444637.db2.gz ZUDJTBJWJNSGKC-DOTOQJQBSA-N 1 0 380.282 2.555 20 0 GFADRO O=C(NCC[C@H]1CCC[NH2+]C1)N[C@@H]1COc2cc(F)c(Br)cc21 ZINC000576373575 655446208 /nfs/dbraw/zinc/44/62/08/655446208.db2.gz BNRCOARJBBLFJP-QMTHXVAHSA-N 1 0 386.265 2.711 20 0 GFADRO C[NH2+]C[C@@H]1CCCN(C(=O)c2cn(-c3ccc(Br)cc3)cn2)C1 ZINC000576581581 655449424 /nfs/dbraw/zinc/44/94/24/655449424.db2.gz LBRIBFLBBCQZKJ-ZDUSSCGKSA-N 1 0 377.286 2.706 20 0 GFADRO O=C(N[C@H]1CCc2c1ccc(Cl)c2Cl)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000576695691 655450992 /nfs/dbraw/zinc/45/09/92/655450992.db2.gz YQZRMEJSECGXIG-HZMBPMFUSA-N 1 0 380.279 2.927 20 0 GFADRO O=C(NCC1=CC[NH2+]CC1)N1CCO[C@@H](c2ccc(F)c(Br)c2)C1 ZINC000576730215 655451787 /nfs/dbraw/zinc/45/17/87/655451787.db2.gz GYFQPXFZCSKGAI-MRXNPFEDSA-N 1 0 398.276 2.591 20 0 GFADRO Cn1nc(Br)c2c1ncnc2NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000263977890 655455381 /nfs/dbraw/zinc/45/53/81/655455381.db2.gz ZFYFYMWKOTTZBB-NSHDSACASA-N 1 0 391.273 2.968 20 0 GFADRO Cc1cc(Br)cc(C)c1C[NH2+]C[C@H](O)CN1C[C@@H](C)O[C@H](C)C1 ZINC000576980006 655455811 /nfs/dbraw/zinc/45/58/11/655455811.db2.gz MMGJQHJKFKTMQW-INMHGKMJSA-N 1 0 385.346 2.626 20 0 GFADRO Cc1cc(Cl)cc(NC(=O)C(=O)N[C@H](C)C[C@@H](C)[NH3+])c1Br ZINC000577062547 655456848 /nfs/dbraw/zinc/45/68/48/655456848.db2.gz KEGURFIVFBDZGB-RKDXNWHRSA-N 1 0 376.682 2.591 20 0 GFADRO C[C@@H](NC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1)c1cc(Cl)ccc1Cl ZINC000577364930 655457693 /nfs/dbraw/zinc/45/76/93/655457693.db2.gz IRLOMFIHUJGAIK-FUEDEBDSSA-N 1 0 382.295 2.924 20 0 GFADRO C[C@@H]([NH3+])[C@H](C)NC(=O)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000577372466 655457974 /nfs/dbraw/zinc/45/79/74/655457974.db2.gz BQQZWKMSHNDBLT-ZJUUUORDSA-N 1 0 378.826 2.822 20 0 GFADRO [NH3+][C@@H]1CCC[C@H]2CN(CCS(=O)(=O)c3cc(Cl)ccc3Cl)C[C@H]21 ZINC000577373859 655458174 /nfs/dbraw/zinc/45/81/74/655458174.db2.gz VRRDIOBAGTTWBC-NJZAAPMLSA-N 1 0 377.337 2.826 20 0 GFADRO O=C(NCc1ccccc1Br)NCC1([NH+]2CCCC2)CCOCC1 ZINC000264310934 655460605 /nfs/dbraw/zinc/46/06/05/655460605.db2.gz QJBHZNVPZYMUSN-UHFFFAOYSA-N 1 0 396.329 2.893 20 0 GFADRO O=C(Cc1ccc(F)c(Br)c1)NCC1([NH+]2CCCC2)CCOCC1 ZINC000264318810 655460859 /nfs/dbraw/zinc/46/08/59/655460859.db2.gz UXQNVTJQNBOWKN-UHFFFAOYSA-N 1 0 399.304 2.892 20 0 GFADRO Cc1nc(CC[NH2+]C[C@@H](O)COc2cc(F)cc(Br)c2)cs1 ZINC000577622154 655463244 /nfs/dbraw/zinc/46/32/44/655463244.db2.gz WZVMPPWIMAUKDB-CQSZACIVSA-N 1 0 389.290 2.925 20 0 GFADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)CCCOc1ccc(Cl)cc1Cl ZINC000264434560 655463676 /nfs/dbraw/zinc/46/36/76/655463676.db2.gz MRAGWMGJDNTUED-CQSZACIVSA-N 1 0 388.339 2.905 20 0 GFADRO CCCC[N@H+](C)CCNC(=O)N(C)C[C@H](O)c1cccc(Br)c1 ZINC000840294408 661151778 /nfs/dbraw/zinc/15/17/78/661151778.db2.gz IUTZKNIBHRMVRP-INIZCTEOSA-N 1 0 386.334 2.856 20 0 GFADRO CC[C@H](C)[C@H]([NH3+])C(=O)N1CCN(Cc2cc(Br)ccc2F)CC1 ZINC000577847228 655468290 /nfs/dbraw/zinc/46/82/90/655468290.db2.gz CXIYSYREUUKQEC-LRDDRELGSA-N 1 0 386.309 2.606 20 0 GFADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)/C=C/c1ccc(Cl)c(C(F)(F)F)c1 ZINC000264724206 655469110 /nfs/dbraw/zinc/46/91/10/655469110.db2.gz HYZHGUSWXFKQPI-DIECRNLCSA-N 1 0 375.822 2.734 20 0 GFADRO C[C@H](Sc1cc(Cl)ccc1Cl)C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000264753576 655469751 /nfs/dbraw/zinc/46/97/51/655469751.db2.gz SVJUBRJOJJBTHO-AAEUAGOBSA-N 1 0 376.353 2.836 20 0 GFADRO O=C(NC[C@@H]1CCCC[N@H+]1CCO)[C@@H]1C[C@@H]1c1cccc(Br)c1 ZINC000578028283 655471551 /nfs/dbraw/zinc/47/15/51/655471551.db2.gz BVKJHINVUHNVRD-GVDBMIGSSA-N 1 0 381.314 2.516 20 0 GFADRO CC(C)(C)S(=O)(=O)N1CCC([NH2+]Cc2c[nH]nc2-c2ccsc2)CC1 ZINC000578071064 655472061 /nfs/dbraw/zinc/47/20/61/655472061.db2.gz DROISJOZURZHJG-UHFFFAOYSA-N 1 0 382.555 2.821 20 0 GFADRO CCCN(Cc1ccccc1Br)C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000264896630 655473156 /nfs/dbraw/zinc/47/31/56/655473156.db2.gz WJYFOJDOAFDLOV-MRXNPFEDSA-N 1 0 397.361 2.617 20 0 GFADRO O=C(NCCC1=CC[NH2+]CC1)N[C@@H]1CCN(c2ccccc2Br)C1 ZINC000578333958 655477034 /nfs/dbraw/zinc/47/70/34/655477034.db2.gz HQXVKPNXAKLBKN-OAHLLOKOSA-N 1 0 393.329 2.637 20 0 GFADRO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)Cc1ccc(Br)s1 ZINC000265097590 655477347 /nfs/dbraw/zinc/47/73/47/655477347.db2.gz FSQJCQSARDVXKT-UHFFFAOYSA-N 1 0 388.375 2.538 20 0 GFADRO Cc1sc(=O)n(CCC(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)c1C ZINC000265216121 655479128 /nfs/dbraw/zinc/47/91/28/655479128.db2.gz MFDCMUULWAWXTE-OAHLLOKOSA-N 1 0 379.551 2.932 20 0 GFADRO Cc1ncsc1C[NH2+]CCS(=O)(=O)c1cccc(Br)c1 ZINC000578522045 655480895 /nfs/dbraw/zinc/48/08/95/655480895.db2.gz YVQOTZJYYKENJP-UHFFFAOYSA-N 1 0 375.313 2.778 20 0 GFADRO CCO[C@@H]1C[C@]([NH3+])(C(=O)NCc2cc(Br)ccc2OC)C1(C)C ZINC000578646184 655483800 /nfs/dbraw/zinc/48/38/00/655483800.db2.gz RMSPUXITMXSXPQ-PBHICJAKSA-N 1 0 385.302 2.606 20 0 GFADRO CC(=O)NC1CCC([NH2+]C[C@@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000578740650 655486049 /nfs/dbraw/zinc/48/60/49/655486049.db2.gz QRMOUKKWSLVVPI-YMAMQOFZSA-N 1 0 375.296 2.770 20 0 GFADRO Cn1ncc(Br)c1C(=O)NC[C@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000578777751 655486895 /nfs/dbraw/zinc/48/68/95/655486895.db2.gz VYGURMCKCMQFMB-GFCCVEGCSA-N 1 0 399.720 2.911 20 0 GFADRO COCC[N@H+](C)C[C@H](O)CN1CCC[C@H]1c1ccc(Br)c(C)c1 ZINC000578903502 655488895 /nfs/dbraw/zinc/48/88/95/655488895.db2.gz KKSUSERIJCBOBI-WMZOPIPTSA-N 1 0 385.346 2.834 20 0 GFADRO C[C@@H](CNC(=O)C(=O)Nc1cccc(Br)c1Cl)[NH+]1CCCC1 ZINC000578912892 655489063 /nfs/dbraw/zinc/48/90/63/655489063.db2.gz QRWITYYBWNQGLV-JTQLQIEISA-N 1 0 388.693 2.642 20 0 GFADRO Cn1c(COc2ccc(Cl)cc2)nnc1SC[C@@H](O)C[N@H+](C)C1CC1 ZINC000578928185 655489333 /nfs/dbraw/zinc/48/93/33/655489333.db2.gz XYWPYHAWXQOOGD-AWEZNQCLSA-N 1 0 382.917 2.595 20 0 GFADRO COC[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccc(I)cc2)C1 ZINC000265817001 655491209 /nfs/dbraw/zinc/49/12/09/655491209.db2.gz RAIQGMBFICKADB-VXGBXAGGSA-N 1 0 388.249 2.587 20 0 GFADRO C[C@@H](O)C[N@@H+]1CCN(Cc2cnn(-c3ccc(Br)cc3)c2)[C@H](C)C1 ZINC000579032312 655492219 /nfs/dbraw/zinc/49/22/19/655492219.db2.gz COHJHTSCAIQNON-HUUCEWRRSA-N 1 0 393.329 2.522 20 0 GFADRO COc1cc(C[NH2+]CC2([S@@](C)=O)CCC2)cc(OC)c1OCC(F)F ZINC000579165422 655495134 /nfs/dbraw/zinc/49/51/34/655495134.db2.gz CQCRPVCWJDDWDE-RUZDIDTESA-N 1 0 377.453 2.739 20 0 GFADRO CN(C[C@H](O)c1cccc(Br)c1)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000840249397 661149774 /nfs/dbraw/zinc/14/97/74/661149774.db2.gz QLFSTTHHQIDIFX-KRWDZBQOSA-N 1 0 396.329 2.751 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CNC(=O)N[C@@H](C)C[N@@H+](C)C(C)C ZINC000579298796 655497287 /nfs/dbraw/zinc/49/72/87/655497287.db2.gz SQWGXQJTEGXOSM-ZDUSSCGKSA-N 1 0 399.333 2.724 20 0 GFADRO COc1ccc(CNC(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)cc1Br ZINC000579690403 655502397 /nfs/dbraw/zinc/50/23/97/655502397.db2.gz FJNHISYVTDSPEA-KRWDZBQOSA-N 1 0 382.302 2.743 20 0 GFADRO O=C(CCNC(=O)Nc1ccc(Br)cc1)NCCC[C@H]1CCC[NH2+]1 ZINC000579700871 655502656 /nfs/dbraw/zinc/50/26/56/655502656.db2.gz OFBBWXQZOMZXNB-CQSZACIVSA-N 1 0 397.317 2.609 20 0 GFADRO C[C@H](NC(=O)[C@H]1CCCCC[NH2+]1)c1cc2c(cc1Br)OCCO2 ZINC000579712890 655502921 /nfs/dbraw/zinc/50/29/21/655502921.db2.gz JBXNDFYDQMCJSV-SMDDNHRTSA-N 1 0 383.286 2.930 20 0 GFADRO CC[C@H]([NH3+])CNC(=O)c1ccc(NC(=O)c2ccc(Br)o2)cc1 ZINC000579950556 655506078 /nfs/dbraw/zinc/50/60/78/655506078.db2.gz HVFUYFLXMHXUHZ-NSHDSACASA-N 1 0 380.242 2.762 20 0 GFADRO C[C@H](CNC(=O)C1(c2cccc(Br)c2)CC(=O)C1)[NH+]1CCCC1 ZINC000580010089 655506644 /nfs/dbraw/zinc/50/66/44/655506644.db2.gz WNJCHZATUVPIJE-CYBMUJFWSA-N 1 0 379.298 2.650 20 0 GFADRO C[C@H](NC(=O)N[C@@H]1CCOc2c(Br)cccc21)[C@@H]1CCC[NH2+]C1 ZINC000580053106 655507451 /nfs/dbraw/zinc/50/74/51/655507451.db2.gz XFAPHLZJCMNFJY-YWPYICTPSA-N 1 0 382.302 2.960 20 0 GFADRO CC[NH+](CC)CCN(C(=O)[C@@H]1[C@@H]2CCCO[C@H]12)c1ccc(Br)cn1 ZINC000580197078 655509989 /nfs/dbraw/zinc/50/99/89/655509989.db2.gz QCGPTLKFXBAYAW-UAGQMJEPSA-N 1 0 396.329 2.944 20 0 GFADRO CO[C@@]1(C)C[C@H]([NH2+]Cc2cc(=O)n3cc(Br)ccc3n2)C1(C)C ZINC000580278360 655510814 /nfs/dbraw/zinc/51/08/14/655510814.db2.gz XIJYOYLRSIGDIJ-GUYCJALGSA-N 1 0 380.286 2.750 20 0 GFADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)c1cnn(C)c1Br ZINC000708775511 655522324 /nfs/dbraw/zinc/52/23/24/655522324.db2.gz XGTSPTPWBVIAKX-HIFRSBDPSA-N 1 0 391.313 2.681 20 0 GFADRO Cn1nc(Br)cc1CNC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000709260268 655522424 /nfs/dbraw/zinc/52/24/24/655522424.db2.gz PKEFNIDBQPLSPB-KRWDZBQOSA-N 1 0 393.329 2.563 20 0 GFADRO CCS(=O)(=O)C[C@H](C)[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)CC(C)(C)C1 ZINC000710446465 655522442 /nfs/dbraw/zinc/52/24/42/655522442.db2.gz LUGYVHADICXTMD-LSDHHAIUSA-N 1 0 376.563 2.825 20 0 GFADRO Cc1ccsc1C[NH2+]CC[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O ZINC000721755695 655525222 /nfs/dbraw/zinc/52/52/22/655525222.db2.gz XBAUIBVDSDVBPL-AWEZNQCLSA-N 1 0 388.555 2.570 20 0 GFADRO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]CCc1cccc(F)c1 ZINC000726707687 655537313 /nfs/dbraw/zinc/53/73/13/655537313.db2.gz AKZUZZLRGCRRCA-HNNXBMFYSA-N 1 0 385.892 2.676 20 0 GFADRO C[C@H]([NH2+][C@@H](C)c1csc2ccccc21)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000730021588 655571068 /nfs/dbraw/zinc/57/10/68/655571068.db2.gz JBESQPDKOIHASI-MELADBBJSA-N 1 0 380.535 2.586 20 0 GFADRO O=S(=O)(c1c(Cl)nc2sccn21)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000730814317 655578506 /nfs/dbraw/zinc/57/85/06/655578506.db2.gz KQMUJCPREZNIBK-LBPRGKRZSA-N 1 0 388.946 2.688 20 0 GFADRO C[NH+](C)CCNC(=S)Nc1cccc(C(=O)Nc2ccc(Cl)cn2)c1 ZINC000731492044 655583851 /nfs/dbraw/zinc/58/38/51/655583851.db2.gz HHXUFJIGPNPCML-UHFFFAOYSA-N 1 0 377.901 2.835 20 0 GFADRO O[C@H](C[N@@H+]1CCCC[C@H]1CN1CCOCC1)c1ccc(Br)cc1 ZINC000731847397 655587420 /nfs/dbraw/zinc/58/74/20/655587420.db2.gz HWYLNLASDDEHSE-ZWKOTPCHSA-N 1 0 383.330 2.669 20 0 GFADRO CN(C(=O)/C=C/c1ccc(I)o1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000732036950 655590993 /nfs/dbraw/zinc/59/09/93/655590993.db2.gz ZQKIFOYYOBGMNN-HOSRBBHYSA-N 1 0 386.233 2.593 20 0 GFADRO C[NH+]1CCC(NC(=S)Nc2cccc(CS(=O)(=O)C(C)(C)C)c2)CC1 ZINC000732723528 655600839 /nfs/dbraw/zinc/60/08/39/655600839.db2.gz JVOHVUUVPUMKTK-UHFFFAOYSA-N 1 0 383.583 2.781 20 0 GFADRO O=C(/C=C\c1ccc(I)o1)N1CC[NH+](C2CCC2)CC1 ZINC000733276929 655611196 /nfs/dbraw/zinc/61/11/96/655611196.db2.gz ZTNVTFSTTABNCS-ALCCZGGFSA-N 1 0 386.233 2.594 20 0 GFADRO CNC(=O)C1([NH2+]CC(=O)Nc2ccc(OC(F)F)c(Cl)c2)CCCC1 ZINC000733998753 655625270 /nfs/dbraw/zinc/62/52/70/655625270.db2.gz CQEAVZKRDVHDNH-UHFFFAOYSA-N 1 0 375.803 2.528 20 0 GFADRO O=S(=O)(NC1CC[NH+](C[C@@H]2CCCO2)CC1)c1c(Cl)cccc1Cl ZINC000734244058 655628388 /nfs/dbraw/zinc/62/83/88/655628388.db2.gz QCRSCYGYXUEIDU-ZDUSSCGKSA-N 1 0 393.336 2.915 20 0 GFADRO Cc1cc(S(=O)(=O)N(CCc2ccccc2)CC[NH+](C)C)cnc1Cl ZINC000735313299 655644590 /nfs/dbraw/zinc/64/45/90/655644590.db2.gz KOMZKUJKTXUTEB-UHFFFAOYSA-N 1 0 381.929 2.838 20 0 GFADRO Cn1ccnc1[C@@](O)(CC[NH2+]Cc1occc1Br)C(F)(F)F ZINC000735324506 655645307 /nfs/dbraw/zinc/64/53/07/655645307.db2.gz OBFFXKBQBHNRMA-LBPRGKRZSA-N 1 0 382.180 2.705 20 0 GFADRO C[C@H](CN1CCN(c2ccccn2)CC1)[NH2+]Cc1occc1Br ZINC000735508918 655648495 /nfs/dbraw/zinc/64/84/95/655648495.db2.gz QQNAQXRSUWFDQP-CQSZACIVSA-N 1 0 379.302 2.737 20 0 GFADRO O=S(=O)(/C=C/c1ccc(Cl)cc1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000736344435 655662582 /nfs/dbraw/zinc/66/25/82/655662582.db2.gz LHAIIRISWCPYSG-VGOFMYFVSA-N 1 0 384.929 2.685 20 0 GFADRO Ic1cccnc1NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000740866190 655700192 /nfs/dbraw/zinc/70/01/92/655700192.db2.gz ZMQUPPBNDAFKAX-CYBMUJFWSA-N 1 0 387.265 2.742 20 0 GFADRO C[C@@H](c1ccc(Br)cc1)N1CCN(C(=S)NCC[NH+](C)C)CC1 ZINC000741871788 655708668 /nfs/dbraw/zinc/70/86/68/655708668.db2.gz ZMHMSQVJZLCBKC-AWEZNQCLSA-N 1 0 399.402 2.564 20 0 GFADRO Ic1cnn(C[N@H+](C[C@H]2CCCO2)C2CCCC2)c1 ZINC000742166559 655710729 /nfs/dbraw/zinc/71/07/29/655710729.db2.gz XESWQBQIUQYXLE-CQSZACIVSA-N 1 0 375.254 2.869 20 0 GFADRO COc1cc(C[NH2+]CCOC2CCC2)cc(I)c1OC ZINC000742386526 655717426 /nfs/dbraw/zinc/71/74/26/655717426.db2.gz FWZWGSCUDKRNGI-UHFFFAOYSA-N 1 0 391.249 2.967 20 0 GFADRO C[C@@H](C[NH2+]Cc1ccc(OCC(N)=O)cc1)Oc1cccc(Br)c1 ZINC000742389430 655717616 /nfs/dbraw/zinc/71/76/16/655717616.db2.gz XFWBGNGWEVKMMU-ZDUSSCGKSA-N 1 0 393.281 2.870 20 0 GFADRO CCC[N@H+](C)C[C@H]1CCN(CN2c3cccc(Br)c3C(=O)C2=O)C1 ZINC000743392974 655728550 /nfs/dbraw/zinc/72/85/50/655728550.db2.gz FPARNRWKVWUFIQ-CYBMUJFWSA-N 1 0 394.313 2.600 20 0 GFADRO CCC[N@H+](C)C[C@@H]1CCN(CN2c3cc(Br)ccc3C(=O)C2=O)C1 ZINC000743391081 655728613 /nfs/dbraw/zinc/72/86/13/655728613.db2.gz WINCKYNZLVLRBD-ZDUSSCGKSA-N 1 0 394.313 2.600 20 0 GFADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1CNCc1ccc(Cl)o1 ZINC000743768042 655731500 /nfs/dbraw/zinc/73/15/00/655731500.db2.gz ZQCCTPINXNNKCI-SNVBAGLBSA-N 1 0 378.281 2.741 20 0 GFADRO COc1ccc(Br)cc1C(=O)OC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000744135717 655735794 /nfs/dbraw/zinc/73/57/94/655735794.db2.gz PPXBIQGIGHGRIZ-AWEZNQCLSA-N 1 0 386.286 2.971 20 0 GFADRO COC(=O)c1ccc(Cl)c(S(=O)(=O)NCC[N@H+](C)C2CCCCC2)c1 ZINC000744246417 655737386 /nfs/dbraw/zinc/73/73/86/655737386.db2.gz LRFPNNRORALZKD-UHFFFAOYSA-N 1 0 388.917 2.669 20 0 GFADRO C[C@@H]([NH2+]Cc1cnc(N2CCOCC2)s1)[C@H](O)c1c(F)cccc1Cl ZINC000744446509 655740291 /nfs/dbraw/zinc/74/02/91/655740291.db2.gz AHAVKZSTNGNOGY-BZNIZROVSA-N 1 0 385.892 2.984 20 0 GFADRO COC(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@H](C)[NH+]2CCC(C)CC2)c1 ZINC000745464170 655751944 /nfs/dbraw/zinc/75/19/44/655751944.db2.gz RTBXMFBVZQVADP-ZDUSSCGKSA-N 1 0 388.917 2.525 20 0 GFADRO CCc1ccc([C@H](O)C[NH2+][C@@H](C)Cn2cc(Br)ccc2=O)cc1 ZINC000840748654 661182896 /nfs/dbraw/zinc/18/28/96/661182896.db2.gz HPGSOMSYJIFAHQ-SUMWQHHRSA-N 1 0 379.298 2.885 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2S(=O)(=O)/C=C/c1ccccc1Cl ZINC000746702118 655766774 /nfs/dbraw/zinc/76/67/74/655766774.db2.gz LOLDYIIGKWOFGX-LBTHZXFRSA-N 1 0 384.929 2.824 20 0 GFADRO CC[N@@H+]1CC[C@H]2OCCN(C(=S)Nc3ccc(Br)cc3)[C@H]2C1 ZINC000840755878 661184140 /nfs/dbraw/zinc/18/41/40/661184140.db2.gz YMXONCFGEBVGKZ-LSDHHAIUSA-N 1 0 384.343 2.941 20 0 GFADRO Cc1ccc(OCCC(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c(Br)c1 ZINC000747229766 655774331 /nfs/dbraw/zinc/77/43/31/655774331.db2.gz LPPXDWZYOYCEGR-HUUCEWRRSA-N 1 0 397.313 2.506 20 0 GFADRO O=C(CCSc1ccccc1Br)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000747237588 655774839 /nfs/dbraw/zinc/77/48/39/655774839.db2.gz WBVXEKDLWRBKPR-KBPBESRZSA-N 1 0 399.354 2.911 20 0 GFADRO CCCC[N@H+](C)CCNS(=O)(=O)c1cc(C(=O)OC)c(Cl)cc1Cl ZINC000747267769 655775656 /nfs/dbraw/zinc/77/56/56/655775656.db2.gz PBSAEQJASAGXAB-UHFFFAOYSA-N 1 0 397.324 2.790 20 0 GFADRO O=C(Nc1cc(Cl)cc(Cl)c1)[C@@H]1CCCN1C[C@@H](O)C[NH+]1CCCC1 ZINC000747669161 655781668 /nfs/dbraw/zinc/78/16/68/655781668.db2.gz GAEMBESJSPLLHV-IRXDYDNUSA-N 1 0 386.323 2.853 20 0 GFADRO CCN(C[C@@H]1CCN(C(=S)NC[C@@H]2CCC[N@@H+]2CC)C1)CC(F)(F)F ZINC000748084498 655787224 /nfs/dbraw/zinc/78/72/24/655787224.db2.gz IWRPODYVIRDSGT-GJZGRUSLSA-N 1 0 380.524 2.551 20 0 GFADRO CC(C)N(CC[NH+](C)C)C(=O)/C=C\c1ccc(I)o1 ZINC000749027157 655798820 /nfs/dbraw/zinc/79/88/20/655798820.db2.gz UGJQVQJUEYDCTB-VURMDHGXSA-N 1 0 376.238 2.696 20 0 GFADRO CCOC(=O)N1CCC[N@H+](C[C@H](O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000748434892 655790841 /nfs/dbraw/zinc/79/08/41/655790841.db2.gz ALQNNKOROLTBPD-ZDUSSCGKSA-N 1 0 391.295 2.897 20 0 GFADRO C[NH+](C)[C@]1(CNC(=O)c2ccsc2NC(=O)c2ccco2)CCSC1 ZINC000748565332 655792050 /nfs/dbraw/zinc/79/20/50/655792050.db2.gz QZUORGKGYIJYKK-KRWDZBQOSA-N 1 0 379.507 2.761 20 0 GFADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@@H](C)[C@@H](O)c1ccc(F)cc1 ZINC000840722988 661178694 /nfs/dbraw/zinc/17/86/94/661178694.db2.gz MKQOYOWXXCACGH-BWACUDIHSA-N 1 0 383.261 2.850 20 0 GFADRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)S(=O)(=O)c1cc2ccc(Cl)nc2cc1F ZINC000750166772 655812174 /nfs/dbraw/zinc/81/21/74/655812174.db2.gz ZNJQYMPVFBSCJO-ABAIWWIYSA-N 1 0 385.892 2.988 20 0 GFADRO C[C@@H]1C[NH+](Cc2ccc(CNC(=S)NCC(F)(F)F)cc2)C[C@@H](C)O1 ZINC000750991937 655819967 /nfs/dbraw/zinc/81/99/67/655819967.db2.gz VYEZDABMGOGJKR-CHWSQXEVSA-N 1 0 375.460 2.822 20 0 GFADRO COC(=O)c1csc(S(=O)(=O)NC2CCC([NH+]3CCCCC3)CC2)c1 ZINC000751123655 655821770 /nfs/dbraw/zinc/82/17/70/655821770.db2.gz FMKKCYVYJQHBAO-UHFFFAOYSA-N 1 0 386.539 2.610 20 0 GFADRO CSCCNC(=S)C(C(=O)c1ccccc1C)[n+]1cccc(CO)c1 ZINC000751542817 655830703 /nfs/dbraw/zinc/83/07/03/655830703.db2.gz MFHYISVCYDRBRN-UHFFFAOYSA-O 1 0 375.539 2.939 20 0 GFADRO Cc1c(Cl)cccc1NC(=S)N1CC[NH+]([C@H]2CCNC(=O)CC2)CC1 ZINC000840823050 661192385 /nfs/dbraw/zinc/19/23/85/661192385.db2.gz LDMDEPIRVNZMSP-CQSZACIVSA-N 1 0 380.945 2.632 20 0 GFADRO COCC[N@H+](C)CCCNC(=O)N[C@H](C)[C@H](O)c1c(Cl)cccc1Cl ZINC000752862047 655847443 /nfs/dbraw/zinc/84/74/43/655847443.db2.gz KNMAZFZBCACUAK-WBMJQRKESA-N 1 0 392.327 2.683 20 0 GFADRO COCC[N@H+](C)CCCNC(=O)N[C@H](C)[C@@H](O)c1c(Cl)cccc1Cl ZINC000752862044 655847460 /nfs/dbraw/zinc/84/74/60/655847460.db2.gz KNMAZFZBCACUAK-MLGOLLRUSA-N 1 0 392.327 2.683 20 0 GFADRO CC(C)[NH+]1CCN(c2ccc(C(=O)Nn3cc(Br)cn3)cc2)CC1 ZINC000752903575 655847960 /nfs/dbraw/zinc/84/79/60/655847960.db2.gz MDKKLSGPJJEIQG-UHFFFAOYSA-N 1 0 392.301 2.560 20 0 GFADRO C[NH+]1CCC(N(Cc2ccccc2Br)C(=O)CC2OCCO2)CC1 ZINC000753026781 655849551 /nfs/dbraw/zinc/84/95/51/655849551.db2.gz BBELIEJYIZBKNA-UHFFFAOYSA-N 1 0 397.313 2.635 20 0 GFADRO COC(=O)[C@H]1CN(C(=S)Nc2ccc(Cl)c(Cl)c2)CC[N@H+](C)C1 ZINC000840855951 661195968 /nfs/dbraw/zinc/19/59/68/661195968.db2.gz OZLGSPFYBNVSHM-SNVBAGLBSA-N 1 0 376.309 2.727 20 0 GFADRO OC[C@H](C[C@@H](O)c1ccccc1)[NH2+]Cc1cnc2ccc(Br)cn12 ZINC000754079958 655863447 /nfs/dbraw/zinc/86/34/47/655863447.db2.gz MQWKCUJUNCGCQE-DOTOQJQBSA-N 1 0 390.281 2.671 20 0 GFADRO O=C(C[NH2+][C@H](CCO)c1cccs1)N(Cc1ccco1)CC(F)(F)F ZINC000754392909 655867360 /nfs/dbraw/zinc/86/73/60/655867360.db2.gz DRDDVWOVFQSFRJ-CYBMUJFWSA-N 1 0 376.400 2.945 20 0 GFADRO CS(=O)(=O)N1CCC[C@H](C[N@@H+]2CCC[C@H]2COc2ccc(Cl)cc2)C1 ZINC000754638077 655870728 /nfs/dbraw/zinc/87/07/28/655870728.db2.gz IPZAKNHYECZVNI-WBVHZDCISA-N 1 0 386.945 2.855 20 0 GFADRO C[C@H](Cc1cc(Br)ccc1F)NC(=S)NCCC[NH+](C)C ZINC000754690487 655871505 /nfs/dbraw/zinc/87/15/05/655871505.db2.gz AVYYVVKGRWVSPJ-LLVKDONJSA-N 1 0 376.339 2.935 20 0 GFADRO C[C@H]([NH2+]CCCN1CCOC1=O)c1nc(-c2ccc(Br)cc2)no1 ZINC000755157270 655880522 /nfs/dbraw/zinc/88/05/22/655880522.db2.gz LMBUJKFYGQGERR-NSHDSACASA-N 1 0 395.257 2.992 20 0 GFADRO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000755386700 655882783 /nfs/dbraw/zinc/88/27/83/655882783.db2.gz QCCRTBBNEFHEPJ-GFCCVEGCSA-N 1 0 393.281 2.888 20 0 GFADRO Cc1ccc(N2N=C(Br)C[C@@H]2C(=O)NC[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000756041419 655893675 /nfs/dbraw/zinc/89/36/75/655893675.db2.gz LNYHBUJHGXADDJ-GDBMZVCRSA-N 1 0 393.329 2.740 20 0 GFADRO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]CCSCC(C)C ZINC000756042451 655893680 /nfs/dbraw/zinc/89/36/80/655893680.db2.gz UXHFHGPMMWFWMJ-ZDUSSCGKSA-N 1 0 379.979 2.683 20 0 GFADRO CCOC(=O)c1sc([C@@H](C)NC(=S)NC[C@H]2CCC[N@@H+]2CC)nc1C ZINC000756800942 655905350 /nfs/dbraw/zinc/90/53/50/655905350.db2.gz PMGYSIHHCIHQDR-CHWSQXEVSA-N 1 0 384.571 2.638 20 0 GFADRO C[NH+](C)CCN(C1CCCCC1)S(=O)(=O)c1c(Cl)nc2sccn21 ZINC000757354931 655911068 /nfs/dbraw/zinc/91/10/68/655911068.db2.gz DPDGDVMAJJVJRQ-UHFFFAOYSA-N 1 0 390.962 2.934 20 0 GFADRO Cc1cc(C(=O)OCC(=O)NC2CC[NH+](C(C)C)CC2)ccc1Br ZINC000757782716 655916510 /nfs/dbraw/zinc/91/65/10/655916510.db2.gz YTNUEGVEKSUJCY-UHFFFAOYSA-N 1 0 397.313 2.903 20 0 GFADRO C[C@H](CCNC(=O)c1cccnc1I)[NH+]1CCCCC1 ZINC000758649575 655937903 /nfs/dbraw/zinc/93/79/03/655937903.db2.gz ONYGWGZYZPEZMZ-GFCCVEGCSA-N 1 0 387.265 2.681 20 0 GFADRO COCCN(CC[NH+](C)C)C(=O)Nc1cnc(Cl)c(Br)c1C ZINC000760049396 655968009 /nfs/dbraw/zinc/96/80/09/655968009.db2.gz AEBUURGJEUSXKA-UHFFFAOYSA-N 1 0 393.713 2.848 20 0 GFADRO CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)C2SCCS2)CC1 ZINC000760215220 655972726 /nfs/dbraw/zinc/97/27/26/655972726.db2.gz OWOBUBOCWYMGNR-CYBMUJFWSA-N 1 0 383.558 2.951 20 0 GFADRO COc1ccc(Br)cc1CNC(=S)NCC1CC[NH+](C)CC1 ZINC000760478133 655982158 /nfs/dbraw/zinc/98/21/58/655982158.db2.gz PXMLARJWPFUWLU-UHFFFAOYSA-N 1 0 386.359 2.764 20 0 GFADRO C[NH+]1CCC(CNC(=S)NCCOc2ncc(Cl)cc2Cl)CC1 ZINC000760497007 655982708 /nfs/dbraw/zinc/98/27/08/655982708.db2.gz PXMJNTZLQDRECO-UHFFFAOYSA-N 1 0 377.341 2.573 20 0 GFADRO C[NH+]1CCC(CNC(=S)N[C@H]2CCN(c3ccc(F)c(Cl)c3)C2)CC1 ZINC000760503770 655982937 /nfs/dbraw/zinc/98/29/37/655982937.db2.gz RWTROSMLPDZBMX-AWEZNQCLSA-N 1 0 384.952 2.864 20 0 GFADRO COCCC1(C[NH2+]Cc2c(C)nn([C@H]3CCS(=O)(=O)C3)c2Cl)CCC1 ZINC000760700367 655989836 /nfs/dbraw/zinc/98/98/36/655989836.db2.gz HNUBOZYWSCFIEZ-AWEZNQCLSA-N 1 0 389.949 2.501 20 0 GFADRO COCC1([N@H+](C)C[C@H](O)COc2ccc(Cl)cc2Br)CC1 ZINC000761103006 655998458 /nfs/dbraw/zinc/99/84/58/655998458.db2.gz UYCMELKGWZYGIU-LBPRGKRZSA-N 1 0 378.694 2.953 20 0 GFADRO CC[NH+]1CCC(CN2C(=O)CN(Cc3cccc(Br)c3)C2=O)CC1 ZINC000761118321 655999048 /nfs/dbraw/zinc/99/90/48/655999048.db2.gz IHXFOIXZHPQRCV-UHFFFAOYSA-N 1 0 394.313 2.945 20 0 GFADRO CC[C@@H](C)[N@H+](C)CCN1C(=O)N[C@](C)(c2cccc(Br)c2)C1=O ZINC000761208089 656003333 /nfs/dbraw/zinc/00/33/33/656003333.db2.gz WCOJHTPVUFEBGA-SJKOYZFVSA-N 1 0 382.302 2.946 20 0 GFADRO C[C@]1(c2cccc(Br)c2)NC(=O)N([C@H]2CC[N@H+](CC3CC3)C2)C1=O ZINC000761241448 656004648 /nfs/dbraw/zinc/00/46/48/656004648.db2.gz WOQLPKBKCMWEKS-MAUKXSAKSA-N 1 0 392.297 2.700 20 0 GFADRO C[C@@]1(c2cccc(Br)c2)NC(=O)N([C@@H]2CC[N@H+](CC3CC3)C2)C1=O ZINC000761241452 656004696 /nfs/dbraw/zinc/00/46/96/656004696.db2.gz WOQLPKBKCMWEKS-QAPCUYQASA-N 1 0 392.297 2.700 20 0 GFADRO C[C@H](C1=CC[N@H+](C)CC1)N1C(=O)N[C@](C)(c2cccc(Br)c2)C1=O ZINC000762318821 656039195 /nfs/dbraw/zinc/03/91/95/656039195.db2.gz YVYRIGKVIZLLRC-KZULUSFZSA-N 1 0 392.297 2.867 20 0 GFADRO CC(C)(C)OC(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccc(S(C)(=O)=O)s2)C1 ZINC000840951728 661217754 /nfs/dbraw/zinc/21/77/54/661217754.db2.gz IQMAMHMDTNGLCW-QWHCGFSZSA-N 1 0 388.555 2.935 20 0 GFADRO C[C@H]1C[N@H+](CCCNc2ccc(S(=O)(=O)C(F)(F)F)cc2)CCCO1 ZINC000763048480 656069351 /nfs/dbraw/zinc/06/93/51/656069351.db2.gz IFJYVFKGACXTOI-ZDUSSCGKSA-N 1 0 380.432 2.893 20 0 GFADRO C[NH+](C)CCN(Cc1ccccn1)C(=O)N[C@@H]1CC[C@@H]2SCCS[C@H]12 ZINC000763059933 656070124 /nfs/dbraw/zinc/07/01/24/656070124.db2.gz FYTUMIJDJYSNOR-IXDOHACOSA-N 1 0 380.583 2.534 20 0 GFADRO COC(=O)c1cc(C[N@H+](C)C[C@@H](O)c2cccc(Br)c2)cn1C ZINC000840959074 661220035 /nfs/dbraw/zinc/22/00/35/661220035.db2.gz PIYDTVIHAOQFSS-MRXNPFEDSA-N 1 0 381.270 2.740 20 0 GFADRO COC(=O)/C=C1\SCC(=O)N1CCC[N@H+](C)Cc1ccc(F)c(Cl)c1 ZINC000763835767 656094465 /nfs/dbraw/zinc/09/44/65/656094465.db2.gz FUXMJAOQDOBHTB-SXGWCWSVSA-N 1 0 386.876 2.891 20 0 GFADRO Cc1cnc(Br)cc1NC(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000763875437 656095257 /nfs/dbraw/zinc/09/52/57/656095257.db2.gz CZWVNOGGVQWKDM-CYBMUJFWSA-N 1 0 385.306 2.775 20 0 GFADRO COCC[NH+]1CCC(NC(=O)c2nc(Br)sc2C2CC2)CC1 ZINC000764443337 656110616 /nfs/dbraw/zinc/11/06/16/656110616.db2.gz PLKYFMULALGIDX-UHFFFAOYSA-N 1 0 388.331 2.624 20 0 GFADRO CC(C)C[N@@H+]1CCO[C@@H](COC(=O)c2sc(N3CCCC3)nc2Cl)C1 ZINC000764774872 656119310 /nfs/dbraw/zinc/11/93/10/656119310.db2.gz ZLUONSFYXGKOBX-CYBMUJFWSA-N 1 0 387.933 2.910 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)Nc1cc2c(cc1Br)OCCO2 ZINC000841014597 661226980 /nfs/dbraw/zinc/22/69/80/661226980.db2.gz GYSFNBJJRGZMGU-GXFFZTMASA-N 1 0 384.274 2.954 20 0 GFADRO COc1cc(C)c(Br)cc1NC(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000765337785 656140302 /nfs/dbraw/zinc/14/03/02/656140302.db2.gz SXANGKIJQMYEML-OLZOCXBDSA-N 1 0 398.301 2.751 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)Nc3cc4c(cc3Br)OCCO4)C[C@H]21 ZINC000841016655 661228489 /nfs/dbraw/zinc/22/84/89/661228489.db2.gz WDWYTOFKXLSBDD-NQBHXWOUSA-N 1 0 396.285 2.811 20 0 GFADRO C[C@@H]([NH2+]CCNS(=O)(=O)c1cccc(Cl)c1)c1ccc2c(c1)CCO2 ZINC000765400510 656141755 /nfs/dbraw/zinc/14/17/55/656141755.db2.gz GGBFJLKYOGZFKF-CYBMUJFWSA-N 1 0 380.897 2.904 20 0 GFADRO O=S1(=O)CCCN1c1cccc(C[NH2+][C@@H]2CC[C@@H]3SCCS[C@@H]23)c1 ZINC000765806984 656152695 /nfs/dbraw/zinc/15/26/95/656152695.db2.gz DNPOHZZZHSHRFY-IKGGRYGDSA-N 1 0 384.592 2.696 20 0 GFADRO O=C1c2ccc(Br)cc2C(=O)N1CN1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000766067896 656159701 /nfs/dbraw/zinc/15/97/01/656159701.db2.gz GVDUVYPVBSJYCZ-CQSZACIVSA-N 1 0 392.297 2.563 20 0 GFADRO C[C@H](C[C@H]1CCOC1)[NH2+]CCc1ccc(S(=O)(=O)N2CCCCC2)s1 ZINC000766211990 656165449 /nfs/dbraw/zinc/16/54/49/656165449.db2.gz DXCJKCHDRWGKFC-HZPDHXFCSA-N 1 0 386.583 2.870 20 0 GFADRO [NH3+][C@H]1CCCO[C@H]1C1CCN(Cc2nc3ccccn3c2Br)CC1 ZINC000841099780 661232971 /nfs/dbraw/zinc/23/29/71/661232971.db2.gz OUEDLDHWSSDBLG-YOEHRIQHSA-N 1 0 393.329 2.815 20 0 GFADRO C[C@@H](C[NH3+])N(C)C(=O)C(=O)Nc1ccccc1SC[C@@H]1CC1(Cl)Cl ZINC000841174239 661241469 /nfs/dbraw/zinc/24/14/69/661241469.db2.gz TZPNTZKZFMQWBN-QWRGUYRKSA-N 1 0 390.336 2.717 20 0 GFADRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)Nc1cnc(Br)c(Br)c1 ZINC000841142459 661237249 /nfs/dbraw/zinc/23/72/49/661237249.db2.gz PMTWQNXHGHHAOM-HTQZYQBOSA-N 1 0 392.095 2.808 20 0 GFADRO O=C(NC[C@H]1CCC[NH2+]C1)Nc1cnc(Br)c(Br)c1 ZINC000841142442 661237471 /nfs/dbraw/zinc/23/74/71/661237471.db2.gz OYFBQBBMOMEOPK-QMMMGPOBSA-N 1 0 392.095 2.728 20 0 GFADRO CC1(NC(=O)Nc2cnc(Br)c(Br)c2)CC[NH2+]CC1 ZINC000841143315 661237610 /nfs/dbraw/zinc/23/76/10/661237610.db2.gz XZKXXQDYGSEKQG-UHFFFAOYSA-N 1 0 392.095 2.870 20 0 GFADRO C[NH2+]C[C@@H]1CCN(C(=O)Nc2cnc(Br)c(Br)c2)C1 ZINC000841143296 661237625 /nfs/dbraw/zinc/23/76/25/661237625.db2.gz XLJFDBOAFYZWAU-QMMMGPOBSA-N 1 0 392.095 2.680 20 0 GFADRO O=C(NCC1=CC[NH2+]CC1)Nc1cnc(Br)c(Br)c1 ZINC000841142517 661237633 /nfs/dbraw/zinc/23/76/33/661237633.db2.gz QWLNCMBKKRGTLF-UHFFFAOYSA-N 1 0 390.079 2.648 20 0 GFADRO C[NH+](C)[C@H](CNC(=S)NC[C@@H]1CCCO1)c1cccc(C(F)(F)F)c1 ZINC000768786009 656251313 /nfs/dbraw/zinc/25/13/13/656251313.db2.gz QEPJCHDXYOKJHU-LSDHHAIUSA-N 1 0 375.460 2.951 20 0 GFADRO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)Nc1ccc2cc(Br)ccc2c1 ZINC000841189513 661243176 /nfs/dbraw/zinc/24/31/76/661243176.db2.gz HYOPBMLWDVGBRS-INIZCTEOSA-N 1 0 390.281 2.751 20 0 GFADRO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)Nc1ccc2cc(Br)ccc2c1 ZINC000841189515 661243214 /nfs/dbraw/zinc/24/32/14/661243214.db2.gz HYOPBMLWDVGBRS-MRXNPFEDSA-N 1 0 390.281 2.751 20 0 GFADRO OCCCC[NH+]1CCN(Cc2nc(-c3ccc(Br)cc3)c[nH]2)CC1 ZINC000769395159 656273616 /nfs/dbraw/zinc/27/36/16/656273616.db2.gz NJQOXUSEVJBCGU-UHFFFAOYSA-N 1 0 393.329 2.729 20 0 GFADRO [NH3+][C@H]1CCC[C@H](NC(=O)C(=O)Nc2ccc3cc(Br)ccc3c2)C1 ZINC000841225506 661245815 /nfs/dbraw/zinc/24/58/15/661245815.db2.gz ZXQPBXYRCRHWES-GJZGRUSLSA-N 1 0 390.281 2.927 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)c1nccn2c(Br)cnc12)C1CCCCC1 ZINC000769688580 656285744 /nfs/dbraw/zinc/28/57/44/656285744.db2.gz AFJPBWKKBHVGEF-CYBMUJFWSA-N 1 0 394.317 2.732 20 0 GFADRO C[C@@]1(C[NH3+])CCN(C(=O)C(=O)Nc2ccc3cc(Br)ccc3c2)C1 ZINC000841235065 661247021 /nfs/dbraw/zinc/24/70/21/661247021.db2.gz VNYNDTAMGYNVHY-SFHVURJKSA-N 1 0 390.281 2.738 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)c1cccnc1I)c1ccccc1 ZINC000770466055 656319756 /nfs/dbraw/zinc/31/97/56/656319756.db2.gz GFFITDYJXQJVCG-AWEZNQCLSA-N 1 0 395.244 2.719 20 0 GFADRO CC1CC[NH+](CCCNC(=O)c2cccnc2I)CC1 ZINC000770548428 656322558 /nfs/dbraw/zinc/32/25/58/656322558.db2.gz FGWWQOQCYJOMCD-UHFFFAOYSA-N 1 0 387.265 2.538 20 0 GFADRO O=C(NC[C@@H](O)c1cccc(Br)c1)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000841303341 661251698 /nfs/dbraw/zinc/25/16/98/661251698.db2.gz BVRQDSCHUOWKGB-QGZVFWFLSA-N 1 0 390.281 2.950 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CNC(=S)Nc1ccc(OCC(=O)OC)c(Cl)c1 ZINC000771114715 656340487 /nfs/dbraw/zinc/34/04/87/656340487.db2.gz RRZFUJCYFRUAGR-CYBMUJFWSA-N 1 0 385.917 2.663 20 0 GFADRO Cc1nn(CN2CCN(C3CC[NH+](C(C)C)CC3)CC2)c(C)c1Br ZINC000771174397 656342054 /nfs/dbraw/zinc/34/20/54/656342054.db2.gz JWQRZSIOAJHTJZ-UHFFFAOYSA-N 1 0 398.393 2.710 20 0 GFADRO CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H]1Cc1ccc(Br)cc1 ZINC000771795767 656362505 /nfs/dbraw/zinc/36/25/05/656362505.db2.gz JKYWFAQKXWDVJS-SWLSCSKDSA-N 1 0 382.302 2.690 20 0 GFADRO CC[NH+](CC)CCOC(=O)C[C@@H](NC(C)=O)c1ccc(Br)cc1 ZINC000771900783 656365376 /nfs/dbraw/zinc/36/53/76/656365376.db2.gz FEKJKVIQTZZGSC-MRXNPFEDSA-N 1 0 385.302 2.901 20 0 GFADRO COc1nc(Br)ccc1NC(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000772432408 656380266 /nfs/dbraw/zinc/38/02/66/656380266.db2.gz GNAMKOGKNGXAFQ-UHFFFAOYSA-N 1 0 383.290 2.849 20 0 GFADRO CS[C@@H]1CN(c2ccc(S(=O)(=O)C(F)F)cc2)C[C@@H]1[NH+]1CCCC1 ZINC000772581637 656383392 /nfs/dbraw/zinc/38/33/92/656383392.db2.gz WEJSZKRGCZNOMH-LSDHHAIUSA-N 1 0 376.494 2.699 20 0 GFADRO CC[NH+](CC)CCC[C@H](C)NC(=O)c1ccccc1S(=O)(=O)C(F)F ZINC000841384433 661257734 /nfs/dbraw/zinc/25/77/34/661257734.db2.gz ZAYKVVVBMFTALX-ZDUSSCGKSA-N 1 0 376.469 2.923 20 0 GFADRO O=C(c1cc(=O)c2cc(Br)ccc2o1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000841388924 661257898 /nfs/dbraw/zinc/25/78/98/661257898.db2.gz XTWACVBTTOQKPL-ZDUSSCGKSA-N 1 0 391.265 2.866 20 0 GFADRO CN1CCN(S(=O)(=O)c2ccc3nc(Cl)sc3c2)c2c[nH+]ccc21 ZINC000772827655 656391124 /nfs/dbraw/zinc/39/11/24/656391124.db2.gz LKUHOURLTHCPHH-UHFFFAOYSA-N 1 0 380.882 2.990 20 0 GFADRO CC(C)[N@@H+]1CCCN(Cn2c(=O)oc3cc(Br)c(F)cc32)CC1 ZINC000773299917 656408922 /nfs/dbraw/zinc/40/89/22/656408922.db2.gz IAVNVEHYCXBVEU-UHFFFAOYSA-N 1 0 386.265 2.870 20 0 GFADRO C[N@@H+]1CCC[C@@H]2CN(Cn3c(=O)oc4cc(Br)c(F)cc43)CC[C@@H]21 ZINC000773315097 656410914 /nfs/dbraw/zinc/41/09/14/656410914.db2.gz XTCGJSQHBIKNPN-RISCZKNCSA-N 1 0 398.276 2.870 20 0 GFADRO CCN(CCC[NH+](CC)CC)C(=O)c1ccccc1S(=O)(=O)C(F)F ZINC000841426780 661264029 /nfs/dbraw/zinc/26/40/29/661264029.db2.gz MFNOWYUMKOEMDR-UHFFFAOYSA-N 1 0 376.469 2.877 20 0 GFADRO Cc1nc(Br)ccc1NC(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000774060896 656486539 /nfs/dbraw/zinc/48/65/39/656486539.db2.gz KLFNZIPZHAXLRT-UHFFFAOYSA-N 1 0 376.258 2.902 20 0 GFADRO COc1ccc([C@@H](O)C[NH2+]C[C@@H](O)c2ccc(F)c(Br)c2)cc1 ZINC000774610898 656540296 /nfs/dbraw/zinc/54/02/96/656540296.db2.gz LBMOJPWOOWIXPR-DLBZAZTESA-N 1 0 384.245 2.953 20 0 GFADRO Cc1cc(Br)cc(C[NH2+]CCS(=O)(=O)NCC2CCC2)c1 ZINC000774992759 656582120 /nfs/dbraw/zinc/58/21/20/656582120.db2.gz RTVVKGNTYJZUHT-UHFFFAOYSA-N 1 0 375.332 2.567 20 0 GFADRO CN(C)C(=O)[C@H]1CC[C@@H](C[NH2+]Cc2nc3ccc(Br)cc3s2)O1 ZINC000775016536 656587508 /nfs/dbraw/zinc/58/75/08/656587508.db2.gz OCXAPRFDZILZLH-WCQYABFASA-N 1 0 398.326 2.784 20 0 GFADRO CON(C)C(=O)[C@H](CCSC)[NH2+]Cc1cc(C)cc(Br)c1 ZINC000775030351 656588324 /nfs/dbraw/zinc/58/83/24/656588324.db2.gz RAJWPJVGQKWXHR-AWEZNQCLSA-N 1 0 375.332 2.989 20 0 GFADRO O=C1NC2(CCCCC2)C(=O)N1CCC[NH2+][C@@H]1CC[C@H]2SCCS[C@@H]12 ZINC000775370841 656633143 /nfs/dbraw/zinc/63/31/43/656633143.db2.gz JMSFUPFQGQTNAZ-KFWWJZLASA-N 1 0 383.583 2.600 20 0 GFADRO O=S(=O)(c1ccc(C[NH2+][C@@H]2CC[C@@H]3SCCS[C@@H]23)cc1)N1CCCC1 ZINC000775382225 656634369 /nfs/dbraw/zinc/63/43/69/656634369.db2.gz GNNJQVAXSLEXFX-SQNIBIBYSA-N 1 0 398.619 2.940 20 0 GFADRO CC(C)C[C@H](O)C[NH2+][C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000775498131 656643155 /nfs/dbraw/zinc/64/31/55/656643155.db2.gz XEIBKCCHMGTJQJ-GXTWGEPZSA-N 1 0 376.316 2.664 20 0 GFADRO O[C@@H](CN1CCN(c2cc[nH+]cc2)CC1)c1ccc(F)c(Br)c1 ZINC000775614882 656657141 /nfs/dbraw/zinc/65/71/41/656657141.db2.gz DIVSKQFVYNFDFT-KRWDZBQOSA-N 1 0 380.261 2.839 20 0 GFADRO Cc1nc(NC(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)ccc1Br ZINC000775779486 656680342 /nfs/dbraw/zinc/68/03/42/656680342.db2.gz DPJGNERTWQRIDK-CQSZACIVSA-N 1 0 397.317 2.917 20 0 GFADRO Cc1cnc(Br)cc1NC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000776044111 656705226 /nfs/dbraw/zinc/70/52/26/656705226.db2.gz VLTHLNUHZHXPBO-ZDUSSCGKSA-N 1 0 397.317 2.775 20 0 GFADRO CCCCCC[N@H+](C)CC(=O)Nc1ccncc1I ZINC000778508866 656883164 /nfs/dbraw/zinc/88/31/64/656883164.db2.gz OFDNHHWKIJZRKA-UHFFFAOYSA-N 1 0 375.254 2.559 20 0 GFADRO Cc1nn(-c2cccc(Cl)c2)c(Cl)c1CN1CC[N@H+](CCO)[C@H](C)C1 ZINC000779213432 656906481 /nfs/dbraw/zinc/90/64/81/656906481.db2.gz IYNCGVWWQZUPQA-CYBMUJFWSA-N 1 0 383.323 2.986 20 0 GFADRO CC(C)[C@@H]([NH2+]C1CCN(S(=O)(=O)C(F)(F)F)CC1)c1ccc(F)cn1 ZINC000779407409 656924021 /nfs/dbraw/zinc/92/40/21/656924021.db2.gz XMJMYCBCTAGHLI-CQSZACIVSA-N 1 0 383.411 2.821 20 0 GFADRO C[C@@H](CNC(=O)c1cnc2ncc(Br)cc2c1)[NH+]1CCCCC1 ZINC000780417803 657004901 /nfs/dbraw/zinc/00/49/01/657004901.db2.gz XJMVYRIFUPJJBR-LBPRGKRZSA-N 1 0 377.286 2.997 20 0 GFADRO C[C@@H]([NH2+]CCOc1ccc(S(=O)(=O)C(F)(F)F)cc1)[C@@H]1CCCOC1 ZINC000780729316 657026478 /nfs/dbraw/zinc/02/64/78/657026478.db2.gz DBDZQZRAZXFDJK-CHWSQXEVSA-N 1 0 381.416 2.764 20 0 GFADRO C[C@H]1CCC[N@@H+]1CCNS(=O)(=O)c1ccc(Br)cc1Cl ZINC000780868777 657034618 /nfs/dbraw/zinc/03/46/18/657034618.db2.gz YVODRZGDUVAUSL-JTQLQIEISA-N 1 0 381.723 2.865 20 0 GFADRO COc1ccc(C(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)nc1Br ZINC000781933131 657090426 /nfs/dbraw/zinc/09/04/26/657090426.db2.gz FZQYMCAXYLUTNL-AWEZNQCLSA-N 1 0 392.297 2.755 20 0 GFADRO S=C(NCCc1ccc(Cl)cc1Cl)NCC[N@@H+]1CCCOCC1 ZINC000782210816 657116159 /nfs/dbraw/zinc/11/61/59/657116159.db2.gz SXPXLYCVHSWPLS-UHFFFAOYSA-N 1 0 376.353 2.722 20 0 GFADRO CC[NH+](CC)CCCC1CCN(S(=O)(=O)c2cnc(Cl)n2C)CC1 ZINC000782484850 657149863 /nfs/dbraw/zinc/14/98/63/657149863.db2.gz AKBDWSHVWYJBCV-UHFFFAOYSA-N 1 0 376.954 2.596 20 0 GFADRO COC(=O)c1ccc(Cl)c(S(=O)(=O)N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000784722054 657324179 /nfs/dbraw/zinc/32/41/79/657324179.db2.gz VZMOCXHSXBYRMP-CHWSQXEVSA-N 1 0 388.917 2.525 20 0 GFADRO COc1cc(OC)c(CC[NH2+]Cc2cc(Br)nn2C)c(OC)c1 ZINC000785459455 657365926 /nfs/dbraw/zinc/36/59/26/657365926.db2.gz RACITZLECSVALG-UHFFFAOYSA-N 1 0 384.274 2.541 20 0 GFADRO COC(=O)c1ccc(CNC(=O)C2CC[NH+](C(C)C)CC2)c(Br)c1 ZINC000785852949 657390439 /nfs/dbraw/zinc/39/04/39/657390439.db2.gz NCGHOWOOMVWYHF-UHFFFAOYSA-N 1 0 397.313 2.972 20 0 GFADRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)Nc2cccc(Br)n2)C1 ZINC000786149439 657410809 /nfs/dbraw/zinc/41/08/09/657410809.db2.gz KMGHVMVLBFAEFH-ZDUSSCGKSA-N 1 0 385.306 2.809 20 0 GFADRO C[NH+]1CCC(n2ccc(NC(=O)N[C@@H]3CC[C@@H]4SCCS[C@H]34)n2)CC1 ZINC000786699313 657453347 /nfs/dbraw/zinc/45/33/47/657453347.db2.gz MCXYPHQMMNPJOW-IJEWVQPXSA-N 1 0 381.571 2.651 20 0 GFADRO O=S(=O)(NCC[NH2+][C@H]1CCc2ccc(Cl)nc21)c1cccc(Cl)c1 ZINC000787751388 657593652 /nfs/dbraw/zinc/59/36/52/657593652.db2.gz LSQYPJBMLBJJMH-AWEZNQCLSA-N 1 0 386.304 2.944 20 0 GFADRO COc1cc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)cnc1Br ZINC000788133883 657655837 /nfs/dbraw/zinc/65/58/37/657655837.db2.gz GZNKAEOBRYOLRY-HNNXBMFYSA-N 1 0 390.281 2.857 20 0 GFADRO CC[N@@H+]1CCC[C@H](CNS(=O)(=O)c2sc(C(=O)OC)c(Cl)c2C)C1 ZINC000788611307 657752127 /nfs/dbraw/zinc/75/21/27/657752127.db2.gz LAMXBAZUYOKKDX-LLVKDONJSA-N 1 0 394.946 2.507 20 0 GFADRO CCCC[N@H+](C)CCNS(=O)(=O)c1sc(C(=O)OC)c(Cl)c1C ZINC000788625912 657754452 /nfs/dbraw/zinc/75/44/52/657754452.db2.gz JNVRPNYDYGXESM-UHFFFAOYSA-N 1 0 382.935 2.507 20 0 GFADRO CCN(CCC[NH+](CC)CC)S(=O)(=O)c1ccc(Cl)c(C(=O)OC)c1 ZINC000788919173 657797656 /nfs/dbraw/zinc/79/76/56/657797656.db2.gz ZCHHYLRGKBSYNF-UHFFFAOYSA-N 1 0 390.933 2.869 20 0 GFADRO C[NH+]1CCC(NC(=S)N[C@@H](c2cncc(Br)c2)C2CC2)CC1 ZINC000789357280 657841023 /nfs/dbraw/zinc/84/10/23/657841023.db2.gz OBRIWGHANJMVTH-OAHLLOKOSA-N 1 0 383.359 2.854 20 0 GFADRO CCc1[nH]nc(C(=O)N(C)c2ccc(OCC[NH+](C)C)cc2)c1Br ZINC000789942229 657901638 /nfs/dbraw/zinc/90/16/38/657901638.db2.gz OBTSOFDYVNEBLH-UHFFFAOYSA-N 1 0 395.301 2.952 20 0 GFADRO C[C@H]1CCC[N@@H+]1CCNS(=O)(=O)c1cccc(Br)c1Cl ZINC000790292712 657949159 /nfs/dbraw/zinc/94/91/59/657949159.db2.gz QZWHAHONBCBTGZ-JTQLQIEISA-N 1 0 381.723 2.865 20 0 GFADRO O=C1O[C@@]2(CN1CN1Cc3cccc(Br)c3C1)C[NH+]1CCC2CC1 ZINC000790383012 657965167 /nfs/dbraw/zinc/96/51/67/657965167.db2.gz HXRJZTPRHWFBHU-GOSISDBHSA-N 1 0 392.297 2.639 20 0 GFADRO COC(=O)c1c2cnn(C[N@H+](C)[C@@H]3CCSC3)c2ccc1Br ZINC000790441322 657977708 /nfs/dbraw/zinc/97/77/08/657977708.db2.gz ACXXPHXYWIUHCI-SNVBAGLBSA-N 1 0 384.299 2.980 20 0 GFADRO Cc1nn(C)c(C[NH2+]C[C@@H]2CCCN2C(=O)OC(C)(C)C)c1Br ZINC000790470921 657989236 /nfs/dbraw/zinc/98/92/36/657989236.db2.gz NXWOEHHZQJNKMR-LBPRGKRZSA-N 1 0 387.322 2.980 20 0 GFADRO CC[NH+](CC)C[C@@H](C)NS(=O)(=O)c1cc(Br)cc(F)c1OC ZINC000790879651 658039251 /nfs/dbraw/zinc/03/92/51/658039251.db2.gz IZCXSLOCXTVLFV-SNVBAGLBSA-N 1 0 397.310 2.605 20 0 GFADRO Nc1nc(N2CCC[C@H](OC(=O)c3ccc(F)cc3Br)C2)cc[nH+]1 ZINC000791108022 658060060 /nfs/dbraw/zinc/06/00/60/658060060.db2.gz OARRZVNGJKMZKX-NSHDSACASA-N 1 0 395.232 2.786 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)Cc1cccnc1Br)c1cccc(F)c1 ZINC000791299574 658078166 /nfs/dbraw/zinc/07/81/66/658078166.db2.gz BUFMBGGGABAJJD-HNNXBMFYSA-N 1 0 380.261 2.945 20 0 GFADRO CCC(CC)[C@H](CNC(=O)Cc1cccnc1Br)[NH+]1CCOCC1 ZINC000791317485 658079667 /nfs/dbraw/zinc/07/96/67/658079667.db2.gz XMYJTRBMOSGCFG-INIZCTEOSA-N 1 0 398.345 2.640 20 0 GFADRO CC(C)[NH+]1CCN(CCCOC(=O)c2ccc(Br)cc2N)CC1 ZINC000791992558 658215611 /nfs/dbraw/zinc/21/56/11/658215611.db2.gz KPBRYZUCXUEDDL-UHFFFAOYSA-N 1 0 384.318 2.604 20 0 GFADRO COc1ncc([C@@H](C)[NH2+]CCNS(=O)(=O)Cc2ccccc2)cc1Cl ZINC000793521327 658402128 /nfs/dbraw/zinc/40/21/28/658402128.db2.gz KJEFXYRLTAKVBF-CYBMUJFWSA-N 1 0 383.901 2.514 20 0 GFADRO C[N@@H+]1CCC[C@@H]2CN(Cn3c(=O)oc4cccc(Br)c43)CC[C@@H]21 ZINC000794635401 658586302 /nfs/dbraw/zinc/58/63/02/658586302.db2.gz VMKNDQFVDKDRBE-OCCSQVGLSA-N 1 0 380.286 2.731 20 0 GFADRO O=S(=O)(Cc1ccc(Cl)c(F)c1)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000795110990 658675789 /nfs/dbraw/zinc/67/57/89/658675789.db2.gz XYLMUONSIVLZLD-HNNXBMFYSA-N 1 0 390.908 2.542 20 0 GFADRO C[C@H]([NH2+][C@@H](C)[C@H]1OCCc2sccc21)C(=O)Nc1sccc1C(N)=O ZINC000795489104 658824999 /nfs/dbraw/zinc/82/49/99/658824999.db2.gz UUFHEVQYFVMINK-PKFCDNJMSA-N 1 0 379.507 2.528 20 0 GFADRO Cc1cc(Br)cc(C)c1N1CCC[C@@H]([NH2+][C@@H](CO)C2CC2)C1=O ZINC000795990671 658879026 /nfs/dbraw/zinc/87/90/26/658879026.db2.gz AMSUEVKIBHPBAO-CVEARBPZSA-N 1 0 381.314 2.922 20 0 GFADRO C[C@H](C[C@@H](O)c1ccco1)[NH2+]Cc1ncc(I)s1 ZINC000796341556 658913114 /nfs/dbraw/zinc/91/31/14/658913114.db2.gz PVLIWDRMDIKQNA-RKDXNWHRSA-N 1 0 378.235 2.943 20 0 GFADRO CC(C)S(=O)(=O)CCC[NH2+][C@H]1[C@H](C)CCN(C(=O)OC(C)(C)C)[C@@H]1C ZINC000796652783 658929178 /nfs/dbraw/zinc/92/91/78/658929178.db2.gz NLIPVCXQBAIIQQ-OAGGEKHMSA-N 1 0 376.563 2.823 20 0 GFADRO CC(C)C[N@@H+]1CCO[C@@H](COC(=O)c2cn3ccc(Br)cc3n2)C1 ZINC000797015758 658962886 /nfs/dbraw/zinc/96/28/86/658962886.db2.gz GRYZOKDWBUOQDV-CQSZACIVSA-N 1 0 396.285 2.610 20 0 GFADRO CN(C)c1ccc(N2CCC([NH2+]CCn3cc(Br)cn3)CC2)cc1 ZINC000797101889 658979826 /nfs/dbraw/zinc/97/98/26/658979826.db2.gz WPJHWFJUWVZVAW-UHFFFAOYSA-N 1 0 392.345 2.970 20 0 GFADRO CCOC(=O)C(F)(F)[C@@H]1CCC[C@H]([NH2+]CCn2cc(Br)cn2)C1 ZINC000797119220 658983071 /nfs/dbraw/zinc/98/30/71/658983071.db2.gz SNUUXPHIZXTVTR-YPMHNXCESA-N 1 0 394.260 2.992 20 0 GFADRO CC(C)C[N@@H+]1CCO[C@H](COC(=O)C2(c3cncc(Br)c3)CC2)C1 ZINC000798830148 659148372 /nfs/dbraw/zinc/14/83/72/659148372.db2.gz NZTNBQPAAYCGRH-INIZCTEOSA-N 1 0 397.313 2.776 20 0 GFADRO C[N@@H+]1CCN(CCNC(=O)/C=C\c2cc(Br)ccc2F)CC1(C)C ZINC000799745165 659221051 /nfs/dbraw/zinc/22/10/51/659221051.db2.gz JERIKSADLXTYBC-DAXSKMNVSA-N 1 0 398.320 2.744 20 0 GFADRO CC[NH+]1CCC(CCNC(=O)NC[C@H](O)c2cccc(Br)c2)CC1 ZINC000799941848 659247835 /nfs/dbraw/zinc/24/78/35/659247835.db2.gz GFZBGKXQZNHUBG-KRWDZBQOSA-N 1 0 398.345 2.904 20 0 GFADRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)NC[C@H](O)c2cccc(Br)c2)C1 ZINC000799948796 659248388 /nfs/dbraw/zinc/24/83/88/659248388.db2.gz XHWBRSFOHPPFKI-PBHICJAKSA-N 1 0 398.345 2.760 20 0 GFADRO CC(C)(C)OC(=O)Nc1ncc(C[NH2+]C[C@H]2CCCCS2(=O)=O)s1 ZINC000800262543 659297475 /nfs/dbraw/zinc/29/74/75/659297475.db2.gz NOIWNWGZCANNQQ-GFCCVEGCSA-N 1 0 375.516 2.547 20 0 GFADRO CC(C)(C)OC(=O)N1CC(C[NH2+][C@H](CO)c2ccc(Br)cc2)C1 ZINC000800370534 659305060 /nfs/dbraw/zinc/30/50/60/659305060.db2.gz JEANDXXUWCHSFD-OAHLLOKOSA-N 1 0 385.302 2.939 20 0 GFADRO Cc1nn(C)c(Br)c1C(=O)NC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000800886296 659343629 /nfs/dbraw/zinc/34/36/29/659343629.db2.gz CBKRSISYNHRSJO-LBPRGKRZSA-N 1 0 379.302 2.741 20 0 GFADRO C[C@H]1CCC[N@@H+]1CCNS(=O)(=O)c1c(Cl)cccc1Br ZINC000800937208 659354296 /nfs/dbraw/zinc/35/42/96/659354296.db2.gz SMLZRQZCTQCZEZ-JTQLQIEISA-N 1 0 381.723 2.865 20 0 GFADRO CC(C)(C)OC(=O)N1CCN([C@H](C[NH2+][C@H]2CCSC2)C(F)(F)F)CC1 ZINC000800992415 659362300 /nfs/dbraw/zinc/36/23/00/659362300.db2.gz IPGPUSIZFPFKIK-QWHCGFSZSA-N 1 0 383.480 2.565 20 0 GFADRO CC[NH+](CC)Cc1ccc(C(=O)N2CCn3c(Br)cnc3C2)o1 ZINC000801239100 659380407 /nfs/dbraw/zinc/38/04/07/659380407.db2.gz FBLVYLYQAWJFHH-UHFFFAOYSA-N 1 0 381.274 2.736 20 0 GFADRO CN1CCN(C(=O)CC[N@@H+]2CCC[C@H]2Cc2ccc(Br)cc2)CC1 ZINC000801512260 659400823 /nfs/dbraw/zinc/40/08/23/659400823.db2.gz RVLSGKFNTFZELG-SFHVURJKSA-N 1 0 394.357 2.620 20 0 GFADRO CC(C)(CNC(=O)NC[C@@H](O)c1cccc(Br)c1)C[NH+]1CCCC1 ZINC000802303291 659471782 /nfs/dbraw/zinc/47/17/82/659471782.db2.gz CRVVEEZOEXQMCQ-MRXNPFEDSA-N 1 0 398.345 2.904 20 0 GFADRO O=C1c2cccc(Br)c2CN1CN1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000802732744 659500035 /nfs/dbraw/zinc/50/00/35/659500035.db2.gz OYSWBBVRPHIMAD-AWEZNQCLSA-N 1 0 378.314 2.780 20 0 GFADRO CC(C)[C@H](C(=O)OCc1ccc(Br)cc1N1CCOCC1)[NH+](C)C ZINC000802802108 659510017 /nfs/dbraw/zinc/51/00/17/659510017.db2.gz SFYSVJSUOQLQKK-QGZVFWFLSA-N 1 0 399.329 2.915 20 0 GFADRO COc1ccc([C@H](C[NH+](C)C)NC(=O)c2ccc(Br)nc2)cc1 ZINC000803807960 659606345 /nfs/dbraw/zinc/60/63/45/659606345.db2.gz SEBUDKIOEDYWRV-HNNXBMFYSA-N 1 0 378.270 2.885 20 0 GFADRO CC[NH+](CC)CCCOC(=O)c1cc(N)cc(I)c1 ZINC000803849961 659608942 /nfs/dbraw/zinc/60/89/42/659608942.db2.gz AHZPBNVXDVGYRC-UHFFFAOYSA-N 1 0 376.238 2.762 20 0 GFADRO C[N@@H+]1CCCC[C@H]1CCC(=O)OCc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000803856890 659610407 /nfs/dbraw/zinc/61/04/07/659610407.db2.gz BBKKCGKTRPKRRA-AWEZNQCLSA-N 1 0 375.437 2.991 20 0 GFADRO CN(CCN1CC[NH+](Cc2ccccc2)CC1)C(=O)c1scnc1Cl ZINC000804343659 659636449 /nfs/dbraw/zinc/63/64/49/659636449.db2.gz ADPKVUHBDTUEGM-UHFFFAOYSA-N 1 0 378.929 2.686 20 0 GFADRO CC[C@H](C)[NH2+][C@@H](CNS(=O)(=O)c1cnc(Cl)c(F)c1)c1ccco1 ZINC000805099809 659738831 /nfs/dbraw/zinc/73/88/31/659738831.db2.gz MQGPTSZRYUZTCG-GWCFXTLKSA-N 1 0 375.853 2.875 20 0 GFADRO CNC(=O)OC[C@@H]1CCCC[N@@H+]1C[C@@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000805828552 659808150 /nfs/dbraw/zinc/80/81/50/659808150.db2.gz KUVYBCHGFXLNNB-QWHCGFSZSA-N 1 0 391.295 2.944 20 0 GFADRO O=S(=O)(C(F)F)N1CCC(C[NH2+][C@@H]2CCc3nc(Cl)ccc32)CC1 ZINC000806147491 659826323 /nfs/dbraw/zinc/82/63/23/659826323.db2.gz XUTHAJDCQHMBLK-GFCCVEGCSA-N 1 0 379.860 2.576 20 0 GFADRO O[C@H]1c2ccccc2OC[C@@H]1[NH2+]Cc1cc2c(c(Br)c1)OCO2 ZINC000808454262 659894741 /nfs/dbraw/zinc/89/47/41/659894741.db2.gz NWFKQWLHEYLPPN-BBRMVZONSA-N 1 0 378.222 2.762 20 0 GFADRO CN(Cc1nc2ccccn2c1Br)CC(C)(C)C[NH+]1CCOCC1 ZINC000809585112 659932863 /nfs/dbraw/zinc/93/28/63/659932863.db2.gz ADRYEFLXSGNNBI-UHFFFAOYSA-N 1 0 395.345 2.887 20 0 GFADRO CC(C)[C@@](C)(CO)[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000810077528 659959799 /nfs/dbraw/zinc/95/97/99/659959799.db2.gz XODZFOVYUFVVJQ-IUODEOHRSA-N 1 0 380.710 2.839 20 0 GFADRO Cc1ccc(C(=O)O[C@@H]2CCCN(c3cc[nH+]c(N)n3)C2)cc1Br ZINC000810764606 659985009 /nfs/dbraw/zinc/98/50/09/659985009.db2.gz KHYFMQPFJXFCAS-CYBMUJFWSA-N 1 0 391.269 2.956 20 0 GFADRO Cc1nnc(CCNC(=S)NC2CC[NH+](Cc3ccccc3)CC2)s1 ZINC000811702299 660014491 /nfs/dbraw/zinc/01/44/91/660014491.db2.gz ZUBFCEZTVKABAT-UHFFFAOYSA-N 1 0 375.567 2.518 20 0 GFADRO CCCC[N@H+](C)C[C@H](C)NC(=O)NC[C@@H](O)c1cccc(Br)c1 ZINC000811931902 660017987 /nfs/dbraw/zinc/01/79/87/660017987.db2.gz VMEPGJMEZOFMGL-XJKSGUPXSA-N 1 0 386.334 2.902 20 0 GFADRO CSC1(CNC(=O)NC[C@H](O)c2cc(F)cc(Cl)c2)CC[NH+](C)CC1 ZINC000811942807 660018128 /nfs/dbraw/zinc/01/81/28/660018128.db2.gz GUUGFJJVEJUDBC-HNNXBMFYSA-N 1 0 389.924 2.639 20 0 GFADRO CSC1(CNC(=O)NC[C@@H](O)c2cc(F)cc(Cl)c2)CC[NH+](C)CC1 ZINC000811942811 660018161 /nfs/dbraw/zinc/01/81/61/660018161.db2.gz GUUGFJJVEJUDBC-OAHLLOKOSA-N 1 0 389.924 2.639 20 0 GFADRO O=C(c1nc(C2CC2)ncc1Br)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000813803289 660064997 /nfs/dbraw/zinc/06/49/97/660064997.db2.gz DHYQLRUJGFONPG-ZDUSSCGKSA-N 1 0 379.302 2.817 20 0 GFADRO C[C@@H](CCCCNC(=O)OC(C)(C)C)[NH2+][C@@H](C)C1CCS(=O)(=O)CC1 ZINC000813876779 660066337 /nfs/dbraw/zinc/06/63/37/660066337.db2.gz ZQRIDAVMPXILRY-GJZGRUSLSA-N 1 0 376.563 2.873 20 0 GFADRO CNC(=O)CCC[N@H+](C)C[C@@](C)(O)c1ccc(Br)cc1Cl ZINC000815076470 660109724 /nfs/dbraw/zinc/10/97/24/660109724.db2.gz RHCOMFUNJZCTCG-OAHLLOKOSA-N 1 0 377.710 2.768 20 0 GFADRO Cn1cc(Br)c(C(=O)OCC2CC[NH+](Cc3ccco3)CC2)n1 ZINC000815993109 660139389 /nfs/dbraw/zinc/13/93/89/660139389.db2.gz IEAJDRGJGZDXDW-UHFFFAOYSA-N 1 0 382.258 2.845 20 0 GFADRO O=C(C1CC[NH+](C2CC2)CC1)N1CC[C@@H](Oc2cncc(Br)c2)C1 ZINC000816705200 660166011 /nfs/dbraw/zinc/16/60/11/660166011.db2.gz WJHPQWWDBKHZGS-MRXNPFEDSA-N 1 0 394.313 2.698 20 0 GFADRO O=C1CC(F)(F)CN1C[NH2+]C1(c2ccc(Br)cc2)CCOCC1 ZINC000841677323 661308511 /nfs/dbraw/zinc/30/85/11/661308511.db2.gz YXJSVXOUZJCBDC-UHFFFAOYSA-N 1 0 389.240 2.870 20 0 GFADRO Cc1cc(-c2noc(-c3cn(CCCC[NH3+])nn3)n2)ccc1Br ZINC000841822157 661315953 /nfs/dbraw/zinc/31/59/53/661315953.db2.gz BEIPDOCYURKCLT-UHFFFAOYSA-N 1 0 377.246 2.805 20 0 GFADRO COC(=O)N1CCC([NH2+]Cc2ccc(F)cc2I)CC1 ZINC000841858063 661316825 /nfs/dbraw/zinc/31/68/25/661316825.db2.gz SOISSXHXXWCEKI-UHFFFAOYSA-N 1 0 392.212 2.751 20 0 GFADRO COc1cc(Br)ccc1CNC(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000841884002 661317087 /nfs/dbraw/zinc/31/70/87/661317087.db2.gz HSGAIBNALQNINU-QGZVFWFLSA-N 1 0 382.302 2.743 20 0 GFADRO CN(C[C@H](O)c1ccccc1Br)C(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000841947738 661318264 /nfs/dbraw/zinc/31/82/64/661318264.db2.gz HNQYADXHMQBUCE-KCXAZCMYSA-N 1 0 384.318 2.641 20 0 GFADRO C[C@](O)(C[NH2+]Cc1ccc(S(N)(=O)=O)c(Cl)c1)c1cccc(Cl)c1 ZINC000842205029 661327366 /nfs/dbraw/zinc/32/73/66/661327366.db2.gz AOKHWHZJVQBUFW-INIZCTEOSA-N 1 0 389.304 2.638 20 0 GFADRO COc1ccc2nc(Cl)ccc2c1S(=O)(=O)N[C@H]1CC[NH2+]CC1(C)C ZINC000842482625 661341444 /nfs/dbraw/zinc/34/14/44/661341444.db2.gz CUSAAGFCVUYXMB-AWEZNQCLSA-N 1 0 383.901 2.563 20 0 GFADRO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(S(=O)(=O)/C=C\c2ccc(Cl)cc2)CC1 ZINC000842485504 661341759 /nfs/dbraw/zinc/34/17/59/661341759.db2.gz IRGBVVOIYZLZNA-IIEKUHJVSA-N 1 0 384.929 2.859 20 0 GFADRO CN(C1CCC([NH3+])CC1)S(=O)(=O)c1cc(F)c(Br)cc1F ZINC000842737410 661351706 /nfs/dbraw/zinc/35/17/06/661351706.db2.gz JBLMYEFHGQUERC-UHFFFAOYSA-N 1 0 383.258 2.618 20 0 GFADRO C[C@H]([NH2+]C[C@@H](O)c1ccc(Br)cc1)[C@H](O)c1ccc2c(c1)OCO2 ZINC000843085530 661367039 /nfs/dbraw/zinc/36/70/39/661367039.db2.gz CBYJTDJMSPUGFU-POHZPAGDSA-N 1 0 394.265 2.923 20 0 GFADRO Cc1cccc([C@@H](O)C[NH2+]CCS(=O)(=O)c2cccc(Br)c2)c1 ZINC000843086991 661367164 /nfs/dbraw/zinc/36/71/64/661367164.db2.gz IHINBEQNJDWVOZ-KRWDZBQOSA-N 1 0 398.322 2.854 20 0 GFADRO COc1ccc(C[C@@H](CO)C[NH2+]C[C@H](O)c2ccccc2)cc1Br ZINC000843118053 661369874 /nfs/dbraw/zinc/36/98/74/661369874.db2.gz ZTKIBZCOHJZPCJ-QAPCUYQASA-N 1 0 394.309 2.932 20 0 GFADRO OCC1([C@H]([NH2+]C[C@H](O)c2ccccc2Br)[C@@H]2CCCO2)CCC1 ZINC000843119224 661370127 /nfs/dbraw/zinc/37/01/27/661370127.db2.gz RPSGWMNCVQDKEI-YESZJQIVSA-N 1 0 384.314 2.782 20 0 GFADRO Ic1ccc(OCc2nc(CC3CC[NH2+]CC3)no2)cc1 ZINC000843134334 661370599 /nfs/dbraw/zinc/37/05/99/661370599.db2.gz PAGFCNRGUUHEBG-UHFFFAOYSA-N 1 0 399.232 2.795 20 0 GFADRO CC(C)[C@H]([NH3+])c1noc(CCNS(=O)(=O)c2c(Cl)cccc2Cl)n1 ZINC000843149399 661370922 /nfs/dbraw/zinc/37/09/22/661370922.db2.gz DWPKVNISZKLKMF-LBPRGKRZSA-N 1 0 393.296 2.553 20 0 GFADRO CC(=O)N[C@H](Cc1nc([C@@H]([NH3+])C(C)C)no1)c1ccc(Br)cc1 ZINC000843154570 661371047 /nfs/dbraw/zinc/37/10/47/661371047.db2.gz YVDHTUAVSVOIDI-HIFRSBDPSA-N 1 0 381.274 2.908 20 0 GFADRO O=c1[nH]c(Cc2noc(C3CC[NH2+]CC3)n2)nc2ccc(Br)cc12 ZINC000843200759 661372090 /nfs/dbraw/zinc/37/20/90/661372090.db2.gz JIVVWURHIYLPKA-UHFFFAOYSA-N 1 0 390.241 2.539 20 0 GFADRO Clc1cc(Cl)c2nc(Cc3noc(C[C@@H]4CSCC[NH2+]4)n3)cn2c1 ZINC000843208281 661372979 /nfs/dbraw/zinc/37/29/79/661372979.db2.gz SOJPZNXQSWGBOW-LLVKDONJSA-N 1 0 384.292 2.862 20 0 GFADRO [NH3+]CCOc1ccc(NCCS(=O)(=O)c2cccc(Br)c2)cc1 ZINC000843365912 661378793 /nfs/dbraw/zinc/37/87/93/661378793.db2.gz IMRCJHDCNLTQMX-UHFFFAOYSA-N 1 0 399.310 2.672 20 0 GFADRO COC(=O)[C@@H]1C[NH2+]CCCN1Cc1cc2ccc(SC)cc2nc1Cl ZINC000843384611 661378895 /nfs/dbraw/zinc/37/88/95/661378895.db2.gz UXOHYQUSLDPXBQ-INIZCTEOSA-N 1 0 379.913 2.947 20 0 GFADRO COCC[N@H+]1[C@H](C)CN(Cc2ccc(OC)c(O)c2Br)C[C@@H]1C ZINC000843425745 661381278 /nfs/dbraw/zinc/38/12/78/661381278.db2.gz HTLMOQSKRJSVTK-BETUJISGSA-N 1 0 387.318 2.704 20 0 GFADRO CC[NH2+]CC(=O)N1CCC[C@@H]1c1nc(Cc2ccc(Br)cc2)no1 ZINC000843438652 661381699 /nfs/dbraw/zinc/38/16/99/661381699.db2.gz YJKYOPFDZGTCBZ-CQSZACIVSA-N 1 0 393.285 2.696 20 0 GFADRO CC[C@H](CNC(=O)CO[C@H]1CCC[NH2+]C1)Cc1cccc(Br)c1 ZINC000843442669 661381744 /nfs/dbraw/zinc/38/17/44/661381744.db2.gz CCJRZYODBRRPBE-YOEHRIQHSA-N 1 0 383.330 2.903 20 0 GFADRO [NH3+]CCCCCCNC(=O)CCNC(=O)Nc1ccc(Br)cc1 ZINC000843510005 661383690 /nfs/dbraw/zinc/38/36/90/661383690.db2.gz WECJWSANMITTGR-UHFFFAOYSA-N 1 0 385.306 2.596 20 0 GFADRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)c1sccc1S(=O)(=O)C(F)F ZINC000843842426 661394295 /nfs/dbraw/zinc/39/42/95/661394295.db2.gz RNUXTOKQKYFNFV-SNVBAGLBSA-N 1 0 380.482 2.547 20 0 GFADRO CC(C)(C)OC(=O)NCCCCCC[N@@H+]1CCCC[C@H](S(C)(=O)=O)C1 ZINC000844325073 661415100 /nfs/dbraw/zinc/41/51/00/661415100.db2.gz SNVWDJCLIJITSA-INIZCTEOSA-N 1 0 376.563 2.971 20 0 GFADRO CC(C)(C)OC(=O)NCCCCCC[N@@H+]1CCCC[C@@H](S(C)(=O)=O)C1 ZINC000844325075 661415309 /nfs/dbraw/zinc/41/53/09/661415309.db2.gz SNVWDJCLIJITSA-MRXNPFEDSA-N 1 0 376.563 2.971 20 0 GFADRO COc1ccc(Br)cc1C1(c2noc([C@@H](N)CC[NH+](C)C)n2)CC1 ZINC000844924496 661449585 /nfs/dbraw/zinc/44/95/85/661449585.db2.gz RLHUPLGTLXLLFH-ZDUSSCGKSA-N 1 0 395.301 2.872 20 0 GFADRO CN(CC(=O)OC[C@@H]1CC[N@@H+]1C(C)(C)C)C(=O)c1ccc(Br)o1 ZINC000845735491 661494938 /nfs/dbraw/zinc/49/49/38/661494938.db2.gz NHVMLSYBONQYLY-NSHDSACASA-N 1 0 387.274 2.530 20 0 GFADRO C[C@H](NC(=O)c1ccc(Br)s1)C(=O)OC[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000845814826 661498172 /nfs/dbraw/zinc/49/81/72/661498172.db2.gz PDXJZUDYYDFTSB-AXFHLTTASA-N 1 0 389.315 2.512 20 0 GFADRO C[C@@H]1[C@H](COC(=O)Cc2csc(NC(=O)c3cccs3)n2)CC[N@@H+]1C ZINC000845815273 661498753 /nfs/dbraw/zinc/49/87/53/661498753.db2.gz YQVXRWKRCQKYCJ-NEPJUHHUSA-N 1 0 379.507 2.883 20 0 GFADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]CC[C@@]1(C)C[C@@]1(F)Cl ZINC000846039632 661526573 /nfs/dbraw/zinc/52/65/73/661526573.db2.gz VBJHNWDIOUHPSC-UGFHNGPFSA-N 1 0 398.331 2.999 20 0 GFADRO O=C(NCCC1CC[NH2+]CC1)N1CCO[C@@H](c2ccccc2Br)C1 ZINC000846210400 661538442 /nfs/dbraw/zinc/53/84/42/661538442.db2.gz MBHPBZDZTNGXPQ-QGZVFWFLSA-N 1 0 396.329 2.922 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(C(=O)Nc3ccnc(Br)c3)C2)C1 ZINC000846310424 661544650 /nfs/dbraw/zinc/54/46/50/661544650.db2.gz JIWYNKKVDNSYTA-SCRDCRAPSA-N 1 0 383.290 2.594 20 0 GFADRO COCC[NH2+]C1CCN(C(=O)/C=C/c2ccc(C)cc2Br)CC1 ZINC000846686294 661561754 /nfs/dbraw/zinc/56/17/54/661561754.db2.gz DRMQMIZMTYNWLR-AATRIKPKSA-N 1 0 381.314 2.998 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(C(=O)/C=C\c3ccc(Br)o3)C2)C1 ZINC000846690423 661561986 /nfs/dbraw/zinc/56/19/86/661561986.db2.gz QDZCOLMNIUPMCY-WYUJOBKFSA-N 1 0 383.286 2.800 20 0 GFADRO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)NCCC1(C[NH3+])CC1 ZINC000846690979 661561994 /nfs/dbraw/zinc/56/19/94/661561994.db2.gz DILAYDJVLHXVNI-UHFFFAOYSA-N 1 0 379.254 2.723 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)c1nc(F)ccc1Br)Cc1ccccc1 ZINC000847300547 661586863 /nfs/dbraw/zinc/58/68/63/661586863.db2.gz CWXXMUALEHTCGM-ZDUSSCGKSA-N 1 0 380.261 2.886 20 0 GFADRO C[NH+](C)C[C@H]1CN(C(=O)c2nc(F)ccc2Br)c2ccccc2O1 ZINC000847573410 661598330 /nfs/dbraw/zinc/59/83/30/661598330.db2.gz LPSCVGYQKQKQMA-NSHDSACASA-N 1 0 394.244 2.953 20 0 GFADRO CS[C@@H]1CN(C(=O)c2cnc(Cl)c(Br)c2)C[C@H]1[NH+](C)C ZINC000847618503 661601851 /nfs/dbraw/zinc/60/18/51/661601851.db2.gz KKGPRKNWRAIRCW-GHMZBOCLSA-N 1 0 378.723 2.615 20 0 GFADRO C[C@@H]1CN(C(=O)c2nc(Cl)sc2Cl)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000847630692 661602681 /nfs/dbraw/zinc/60/26/81/661602681.db2.gz QPPPXGUPKXSGMB-MNOVXSKESA-N 1 0 377.341 2.548 20 0 GFADRO COCC[NH+]1CCC(OC(=O)[C@H](C)Oc2cccc(Br)c2)CC1 ZINC000847883188 661615036 /nfs/dbraw/zinc/61/50/36/661615036.db2.gz BCKSAVVFLMNIJC-ZDUSSCGKSA-N 1 0 386.286 2.870 20 0 GFADRO O=C(Nc1cccc(C[N@H+]2CC[C@H](O)C2)c1)c1cnc(F)c(Br)c1 ZINC000848107421 661625766 /nfs/dbraw/zinc/62/57/66/661625766.db2.gz CZRWLGRRLKFDCO-AWEZNQCLSA-N 1 0 394.244 2.802 20 0 GFADRO CC(C)[NH+]1CCC(NC(=O)Cn2c(Cl)c(Cl)cc(Cl)c2=O)CC1 ZINC000848441848 661648690 /nfs/dbraw/zinc/64/86/90/661648690.db2.gz XJOBBQXHSYMSAJ-UHFFFAOYSA-N 1 0 380.703 2.798 20 0 GFADRO CCOC(=O)CC[N@H+](Cn1nc(Br)c(=O)c2ccccc21)C(C)C ZINC000848500894 661656446 /nfs/dbraw/zinc/65/64/46/661656446.db2.gz CNPFOHCVUWHCKK-UHFFFAOYSA-N 1 0 396.285 2.780 20 0 GFADRO Cn1c(Cl)ncc1C[NH2+]C[C@@H](CO)Cc1cc(Br)ccc1F ZINC000848555980 661664834 /nfs/dbraw/zinc/66/48/34/661664834.db2.gz ZLJGHAVLEZBSMY-JTQLQIEISA-N 1 0 390.684 2.916 20 0 GFADRO Brc1cc(Cc2noc(CC[NH2+]C3CC3)n2)cc2c1OCCCO2 ZINC000848626401 661668740 /nfs/dbraw/zinc/66/87/40/661668740.db2.gz RFKRHPBEIKENJR-UHFFFAOYSA-N 1 0 394.269 2.879 20 0 GFADRO [NH2+]=C(NCCC1CCS(=O)(=O)CC1)Nc1ccccc1OC(F)(F)F ZINC000849052864 661690434 /nfs/dbraw/zinc/69/04/34/661690434.db2.gz QIYBXIMYMOOSTK-UHFFFAOYSA-N 1 0 379.404 2.736 20 0 GFADRO C[C@@H]1CCCN(C(=[NH2+])NCc2cc(C(F)(F)F)cc(S(C)(=O)=O)c2)C1 ZINC000849002421 661690495 /nfs/dbraw/zinc/69/04/95/661690495.db2.gz DFYBICGHYUWTKN-LLVKDONJSA-N 1 0 377.432 2.865 20 0 GFADRO CCOC(=O)N1CCC(NC(=[NH2+])NCCc2ccccc2Br)CC1 ZINC000849066775 661690852 /nfs/dbraw/zinc/69/08/52/661690852.db2.gz OWTRJFLJYCDTEF-UHFFFAOYSA-N 1 0 397.317 2.726 20 0 GFADRO CC(C)(C)SCC(=O)NCCn1cc([C@@H]([NH3+])c2ccc(Cl)cc2)nn1 ZINC000849140162 661693593 /nfs/dbraw/zinc/69/35/93/661693593.db2.gz RKPJMMGZDUGTAN-INIZCTEOSA-N 1 0 381.933 2.628 20 0 GFADRO C[NH+](C)CCCNC(=S)Nc1ccc(I)cc1F ZINC000849286130 661702881 /nfs/dbraw/zinc/70/28/81/661702881.db2.gz RKSBLJKYWOLPOE-UHFFFAOYSA-N 1 0 381.258 2.668 20 0 GFADRO Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)Oc2ccccc2Br)cn1 ZINC000849490877 661733860 /nfs/dbraw/zinc/73/38/60/661733860.db2.gz QERVAKLEAPGAHJ-UONOGXRCSA-N 1 0 378.270 2.824 20 0 GFADRO C[C@@H]1C[C@H]([NH2+]CCS(=O)(=O)CC(F)(F)F)CCN1Cc1ccccc1 ZINC000850365932 661772912 /nfs/dbraw/zinc/77/29/12/661772912.db2.gz UHJOVZPXZNEQPH-GDBMZVCRSA-N 1 0 378.460 2.606 20 0 GFADRO C[C@@H]([NH2+]CCOCCS(C)(=O)=O)c1ccc(Br)c(Cl)c1 ZINC000850445148 661776452 /nfs/dbraw/zinc/77/64/52/661776452.db2.gz OSYXIQVSYDIYLQ-SNVBAGLBSA-N 1 0 384.723 2.814 20 0 GFADRO Cn1ncc(CCC[NH2+][C@H]2CCc3ccc(I)cc32)n1 ZINC000850472492 661777754 /nfs/dbraw/zinc/77/77/54/661777754.db2.gz ZLFTYJBSLRBZHR-HNNXBMFYSA-N 1 0 382.249 2.629 20 0 GFADRO C[C@H]([NH2+]CC[S@](=O)CC(F)(F)F)c1ccc(N2CCCOC2=O)cc1 ZINC000850495317 661779465 /nfs/dbraw/zinc/77/94/65/661779465.db2.gz ZSXNHBAMXAOVTO-VDBVYFBLSA-N 1 0 378.416 2.995 20 0 GFADRO O=S(=O)(CC[NH2+][C@H](Cc1ccccc1Cl)[C@H]1CCCO1)CC(F)(F)F ZINC000850519242 661780797 /nfs/dbraw/zinc/78/07/97/661780797.db2.gz YLNIFMSPUHAUMK-HUUCEWRRSA-N 1 0 399.862 2.997 20 0 GFADRO Cc1c([C@H](C)[NH2+]CCS(=O)(=O)CC(F)(F)F)cnn1-c1ccccc1 ZINC000850520098 661780927 /nfs/dbraw/zinc/78/09/27/661780927.db2.gz WEGFWCGQUHGJDF-LBPRGKRZSA-N 1 0 375.416 2.808 20 0 GFADRO COc1cc([C@H](C)[NH2+][C@@H]2C[C@H](O)C23CCC3)ccc1S(=O)(=O)C(F)F ZINC000850548062 661781181 /nfs/dbraw/zinc/78/11/81/661781181.db2.gz XYAHVQJGSXQIDS-VQISRLSMSA-N 1 0 375.437 2.646 20 0 GFADRO CCCN1CC[C@@H]([NH2+][C@@H](C)c2ccc(S(=O)(=O)C(F)F)c(OC)c2)C1 ZINC000850555735 661781557 /nfs/dbraw/zinc/78/15/57/661781557.db2.gz PUFTXFNZFKLCHP-GXTWGEPZSA-N 1 0 376.469 2.826 20 0 GFADRO CC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCC[C@@H](C3CC[NH2+]CC3)C2)c1 ZINC000850588681 661782461 /nfs/dbraw/zinc/78/24/61/661782461.db2.gz DGEITFAVCFYNJS-MRXNPFEDSA-N 1 0 384.929 2.943 20 0 GFADRO Cn1c(Cl)cnc1-c1csc(NC(=O)N2CCC[C@]3(CC[NH2+]C3)C2)n1 ZINC000850753719 661790262 /nfs/dbraw/zinc/79/02/62/661790262.db2.gz CCDDTTMUCHXVSZ-MRXNPFEDSA-N 1 0 380.905 2.804 20 0 GFADRO [NH3+]CCc1ccc(CNC(=O)c2sc3c(c2Br)CNC3)cc1 ZINC000851632096 661826973 /nfs/dbraw/zinc/82/69/73/661826973.db2.gz IKOSLEFZVGAZNG-UHFFFAOYSA-N 1 0 380.311 2.545 20 0 GFADRO CC(C)(C)n1ncc(C(=O)Nc2cccc(OCC[NH3+])c2)c1Br ZINC000851631776 661826984 /nfs/dbraw/zinc/82/69/84/661826984.db2.gz HITJLJDDRRZWCH-UHFFFAOYSA-N 1 0 381.274 2.990 20 0 GFADRO [NH3+]C1(CNC(=O)N2CCO[C@H](c3ccccc3Br)C2)CCCC1 ZINC000851671216 661827964 /nfs/dbraw/zinc/82/79/64/661827964.db2.gz IVBYAIMPCAYKJN-HNNXBMFYSA-N 1 0 382.302 2.804 20 0 GFADRO O[C@H](C[C@@H]1CCC[N@@H+]1CCn1cnc(Br)n1)c1ccc(F)cc1 ZINC000851862385 661840082 /nfs/dbraw/zinc/84/00/82/661840082.db2.gz YYFNVGDDDCIWCV-LSDHHAIUSA-N 1 0 383.265 2.768 20 0 GFADRO O=S(=O)(NCC1CC[NH+](CC2CC2)CC1)c1cnc(Cl)c(Cl)c1 ZINC000851879697 661842422 /nfs/dbraw/zinc/84/24/22/661842422.db2.gz OCIPXPAUHSTQRX-UHFFFAOYSA-N 1 0 378.325 2.789 20 0 GFADRO O=S(=O)(NC[C@@H]1CCC[N@H+](CC2CC2)C1)c1cnc(Cl)c(Cl)c1 ZINC000851894976 661844062 /nfs/dbraw/zinc/84/40/62/661844062.db2.gz SIRJPYBVYJFZED-LBPRGKRZSA-N 1 0 378.325 2.789 20 0 GFADRO Brc1ncn(CC[N@H+](CCc2ccccn2)Cc2cccnc2)n1 ZINC000852008636 661849060 /nfs/dbraw/zinc/84/90/60/661849060.db2.gz WMEAXOJCNQQKGE-UHFFFAOYSA-N 1 0 387.285 2.576 20 0 GFADRO NC(=O)[C@](O)(C[N@@H+]1CC[C@@H](Sc2cccc(Cl)c2)C1)c1ccccc1 ZINC000852078517 661851738 /nfs/dbraw/zinc/85/17/38/661851738.db2.gz CXNIRLPVNSNACF-MJGOQNOKSA-N 1 0 376.909 2.880 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)NC[C@@H](O)c1cccc(Br)c1 ZINC000852411534 661863696 /nfs/dbraw/zinc/86/36/96/661863696.db2.gz HBYLWMDVWQQDIQ-LSDHHAIUSA-N 1 0 384.318 2.655 20 0 GFADRO O=C(NCCC[NH+]1CCN(c2ccc(Br)cc2)CC1)C(F)(F)F ZINC000852490947 661865657 /nfs/dbraw/zinc/86/56/57/661865657.db2.gz WKUWECBZVRKLNA-UHFFFAOYSA-N 1 0 394.235 2.640 20 0 GFADRO Cn1cc(C[C@@H]2CCC[C@H]2[NH2+]CCS(=O)(=O)c2ccc(Cl)cc2)cn1 ZINC000852562884 661867076 /nfs/dbraw/zinc/86/70/76/661867076.db2.gz LOZVVLQGKYNMPA-MAUKXSAKSA-N 1 0 381.929 2.848 20 0 GFADRO C[NH+](C)CCC[C@@H]1CN(C[C@H](O)c2ccc(F)c(Br)c2)CCO1 ZINC000852761517 661873602 /nfs/dbraw/zinc/87/36/02/661873602.db2.gz WZQYQHJOSDAQCY-PBHICJAKSA-N 1 0 389.309 2.664 20 0 GFADRO O=C(c1ccc(C(F)(F)Br)nc1)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000852821042 661875278 /nfs/dbraw/zinc/87/52/78/661875278.db2.gz XNEFVJPAQCNBGX-DGCLKSJQSA-N 1 0 388.256 2.988 20 0 GFADRO O=C(Cc1ccc(Br)c(Br)c1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000852833129 661875584 /nfs/dbraw/zinc/87/55/84/661875584.db2.gz KYEKKLYVKUXMDU-MFKMUULPSA-N 1 0 388.103 2.574 20 0 GFADRO [NH3+]C[C@H]1CC(C(=O)N2CCC(COc3cc(Cl)cc(Cl)c3)CC2)=NO1 ZINC000852846593 661875734 /nfs/dbraw/zinc/87/57/34/661875734.db2.gz WWBLHBZBJVWICI-OAHLLOKOSA-N 1 0 386.279 2.714 20 0 GFADRO CC(C)(CNC(=O)[C@H]1CCO[C@H]1C[NH3+])Sc1ccc(Br)cc1 ZINC000852848652 661875780 /nfs/dbraw/zinc/87/57/80/661875780.db2.gz ORUWTJGKSMBAGA-KBPBESRZSA-N 1 0 387.343 2.800 20 0 GFADRO C[C@@]1(CNC(=O)c2cnn(-c3ccccc3)c2Br)CCC[NH2+]C1 ZINC000852876124 661876228 /nfs/dbraw/zinc/87/62/28/661876228.db2.gz WDKMENDWWNPHMY-QGZVFWFLSA-N 1 0 377.286 2.754 20 0 GFADRO Cc1nn(C)c(Br)c1C(=O)N1CC[NH2+]C[C@@H]1c1cccc(Cl)c1 ZINC000852879334 661876353 /nfs/dbraw/zinc/87/63/53/661876353.db2.gz VBNFJSGFROVFDT-CYBMUJFWSA-N 1 0 397.704 2.931 20 0 GFADRO O=C(NCCC[C@H]1CCC[NH2+]1)c1cnn(-c2ccccc2)c1Br ZINC000852882377 661876471 /nfs/dbraw/zinc/87/64/71/661876471.db2.gz FMDPITFUWYCCNI-CYBMUJFWSA-N 1 0 377.286 2.897 20 0 GFADRO O=C(c1cnn(-c2ccccc2)c1Br)N1CCC2(CC[NH2+]2)CC1 ZINC000852893998 661876605 /nfs/dbraw/zinc/87/66/05/661876605.db2.gz RRIWKMJVNKZBPO-UHFFFAOYSA-N 1 0 375.270 2.603 20 0 GFADRO O[C@H]1CC[N@@H+](C2CCN(C(=S)Nc3cccc(Br)c3)CC2)C1 ZINC000853042886 661879512 /nfs/dbraw/zinc/87/95/12/661879512.db2.gz KJKQUOSJPCWHRM-HNNXBMFYSA-N 1 0 384.343 2.677 20 0 GFADRO CCc1c(Cl)nc(CS(C)(=O)=O)nc1NC[C@@H](C(C)C)[NH+]1CCCC1 ZINC000853132670 661883143 /nfs/dbraw/zinc/88/31/43/661883143.db2.gz BDFQJBOTLWMKJV-AWEZNQCLSA-N 1 0 388.965 2.769 20 0 GFADRO Cc1nc(-c2ccc(Br)cc2)nn1C[N@@H+]1C[C@H]2COC[C@@]2(C)C1 ZINC000853565752 661892801 /nfs/dbraw/zinc/89/28/01/661892801.db2.gz JQYCLSHSSDDNCA-WMLDXEAASA-N 1 0 377.286 2.942 20 0 GFADRO C[C@]12CCN(c3cc[nH+]cc3C(N)=O)C[C@H]1C2(Br)Br ZINC000853768352 661899867 /nfs/dbraw/zinc/89/98/67/661899867.db2.gz AVRSOVILOBVQGB-PWSUYJOCSA-N 1 0 389.091 2.513 20 0 GFADRO C[C@@]1(CNC(=O)NCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)CC1(Cl)Cl ZINC000854111195 661914659 /nfs/dbraw/zinc/91/46/59/661914659.db2.gz GQUBIUNMHIENTB-WBVHZDCISA-N 1 0 386.323 2.636 20 0 GFADRO CCOC(=O)[C@H]1NCC[C@H]1[NH2+]CC1(Cc2ccc(Br)cc2)CC1 ZINC000854229283 661919610 /nfs/dbraw/zinc/91/96/10/661919610.db2.gz JXTMPYTWYPXDDX-CVEARBPZSA-N 1 0 381.314 2.655 20 0 GFADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2c(Cl)nc3cc(Cl)ccn32)C1 ZINC000854308372 661923596 /nfs/dbraw/zinc/92/35/96/661923596.db2.gz ZASVWYJGGRCVLB-ZDUSSCGKSA-N 1 0 385.295 2.728 20 0 GFADRO O=C(CC1([NH+]2CCOCC2)CCCC1)NCc1cnc(Br)s1 ZINC000854356334 661928922 /nfs/dbraw/zinc/92/89/22/661928922.db2.gz KJWADLXPDPVWJE-UHFFFAOYSA-N 1 0 388.331 2.557 20 0 GFADRO C[N@@H+]1CCC[C@]2(CCN(C(=O)[C@]3(C)CC3(Br)Br)C2)C1 ZINC000854659627 661946099 /nfs/dbraw/zinc/94/60/99/661946099.db2.gz OSJXPFYLEYEEEV-STQMWFEESA-N 1 0 394.151 2.827 20 0 GFADRO O=C(NCc1cc(Br)no1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000854707160 661949363 /nfs/dbraw/zinc/94/93/63/661949363.db2.gz HJOCXHLVYWWPDD-CQSZACIVSA-N 1 0 378.270 2.966 20 0 GFADRO C[C@@]1(C(=O)NCc2ccc3c[nH+]cn3c2)CC1(Br)Br ZINC000854909014 661960658 /nfs/dbraw/zinc/96/06/58/661960658.db2.gz LYJIAEBIWXKXDC-LBPRGKRZSA-N 1 0 387.075 2.847 20 0 GFADRO CN(CCC[NH+](C)C)CCNC(=O)c1cc2ccc(Br)cc2[nH]1 ZINC000855415917 661991563 /nfs/dbraw/zinc/99/15/63/661991563.db2.gz BMBBBSSAQBYESX-UHFFFAOYSA-N 1 0 381.318 2.544 20 0 GFADRO Cc1ccc(/C=C/C(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)c(Br)c1 ZINC000856253680 662026948 /nfs/dbraw/zinc/02/69/48/662026948.db2.gz DISMOXLFZTZSQZ-LAQIPUCWSA-N 1 0 393.325 2.828 20 0 GFADRO O=C(c1cc2c(cccc2Br)[nH]1)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000856254118 662026980 /nfs/dbraw/zinc/02/69/80/662026980.db2.gz RRDZQJOCQPFCMW-CYBMUJFWSA-N 1 0 392.297 2.602 20 0 GFADRO CCC[N@H+](C)CC(C)(C)NC(=O)COc1ccc(C=O)cc1Br ZINC000856283125 662027652 /nfs/dbraw/zinc/02/76/52/662027652.db2.gz NHPJSKIYMMCOSF-UHFFFAOYSA-N 1 0 385.302 2.877 20 0 GFADRO Cc1cc(Br)ccc1CC(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000856429592 662033373 /nfs/dbraw/zinc/03/33/73/662033373.db2.gz LSPYRLCFICQKFN-KRWDZBQOSA-N 1 0 383.330 2.869 20 0 GFADRO C[NH+](C)CCC[C@H]1CN(C(=O)c2cc(C(F)(F)F)cnc2Cl)CCO1 ZINC000856428713 662033477 /nfs/dbraw/zinc/03/34/77/662033477.db2.gz DAYSBRFJLZHNMD-LBPRGKRZSA-N 1 0 379.810 2.937 20 0 GFADRO CC(C)[C@@H]1CN(C(=O)c2cc(=O)c3cc(Br)ccc3o2)CC[NH2+]1 ZINC000856491113 662036087 /nfs/dbraw/zinc/03/60/87/662036087.db2.gz XZUMYPATPCGXGD-ZDUSSCGKSA-N 1 0 379.254 2.626 20 0 GFADRO COc1cc(C[N@@H+]2CC[C@@H](Nc3cnc(Br)cn3)C2)cc(OC)c1 ZINC000856736458 662040081 /nfs/dbraw/zinc/04/00/81/662040081.db2.gz IBHBZNRHDYIJKT-CYBMUJFWSA-N 1 0 393.285 2.943 20 0 GFADRO C[C@H]([NH2+]C[C@H]1CCN(S(C)(=O)=O)C1)c1ccc(C(F)(F)F)nc1Cl ZINC000856777241 662043715 /nfs/dbraw/zinc/04/37/15/662043715.db2.gz SGBXSQOKLQZRMG-VHSXEESVSA-N 1 0 385.839 2.686 20 0 GFADRO COC(=O)/C=C1/SCC(=O)N1CCC[NH2+][C@@H](C(F)F)C1CCCCC1 ZINC000856823845 662046138 /nfs/dbraw/zinc/04/61/38/662046138.db2.gz UFXMCJOTRCSEGN-HFQYIWAZSA-N 1 0 376.469 2.770 20 0 GFADRO CC(C)[NH+]1CCC(N2CCN(C(=O)NCC[C@@H]3CC3(Cl)Cl)CC2)CC1 ZINC000856890112 662049972 /nfs/dbraw/zinc/04/99/72/662049972.db2.gz RODJJPHWKUNGRT-OAHLLOKOSA-N 1 0 391.387 2.770 20 0 GFADRO C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)NCC[C@H](C)[NH3+])CC1 ZINC000857112290 662063748 /nfs/dbraw/zinc/06/37/48/662063748.db2.gz KJFXOYPEYQDXCJ-UONOGXRCSA-N 1 0 383.334 2.575 20 0 GFADRO O=C(NCCCCC[NH+]1CCCCC1)c1c(Br)nc2n1CCOC2 ZINC000857121779 662064351 /nfs/dbraw/zinc/06/43/51/662064351.db2.gz DUIMDLVVJLVOLL-UHFFFAOYSA-N 1 0 399.333 2.562 20 0 GFADRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)[C@]2(C)CC2(Br)Br)C1 ZINC000857598288 662082552 /nfs/dbraw/zinc/08/25/52/662082552.db2.gz LZZZUSBNSBBASM-LOWVWBTDSA-N 1 0 394.151 2.825 20 0 GFADRO Cn1cc(Br)c(CNC(=O)c2cccc([C@@H]3CCC[N@H+](C)C3)c2)n1 ZINC000857278747 662071709 /nfs/dbraw/zinc/07/17/09/662071709.db2.gz PLQVKUKLZXCXNT-OAHLLOKOSA-N 1 0 391.313 2.922 20 0 GFADRO C[NH+](C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC[C@@H]1CC1(Cl)Cl ZINC000857389677 662078475 /nfs/dbraw/zinc/07/84/75/662078475.db2.gz PWBARGSRONERRB-NEPJUHHUSA-N 1 0 382.332 2.532 20 0 GFADRO CC[C@H](C(=O)N1CCN(CC[NH+](C)C)CC1)c1ccc(Br)cc1 ZINC000858174560 662102949 /nfs/dbraw/zinc/10/29/49/662102949.db2.gz USYXDZOBICUHLE-KRWDZBQOSA-N 1 0 382.346 2.649 20 0 GFADRO COCO[C@H](C)c1cc(F)c(C[NH2+][C@H]2C[C@H](C(N)=O)C2)cc1Br ZINC000858246997 662106171 /nfs/dbraw/zinc/10/61/71/662106171.db2.gz MTJJWCZESJPGQL-CKYFFXLPSA-N 1 0 389.265 2.623 20 0 GFADRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2cccc3c2CCCC3)CC[C@@H]1C(F)(F)F ZINC000858623700 662117108 /nfs/dbraw/zinc/11/71/08/662117108.db2.gz NJEXNNNUCYOBHG-HIFRSBDPSA-N 1 0 376.444 2.713 20 0 GFADRO C[C@H]([NH3+])CN(C)S(=O)(=O)c1ccc(Br)c(Cl)c1Cl ZINC000858640115 662117636 /nfs/dbraw/zinc/11/76/36/662117636.db2.gz ISCYLXJRWBKKFF-LURJTMIESA-N 1 0 376.103 2.724 20 0 GFADRO O=C1Nc2ccc(Br)cc2CC[C@H]1[NH+]1CCC(c2nnc[nH]2)CC1 ZINC000859159199 662141229 /nfs/dbraw/zinc/14/12/29/662141229.db2.gz LVGNGWIYIFYING-OAHLLOKOSA-N 1 0 390.285 2.700 20 0 GFADRO COC1CC(C[N@@H+]2CCC[C@H](C(=O)Nc3ccc(Br)cn3)C2)C1 ZINC000859172218 662142098 /nfs/dbraw/zinc/14/20/98/662142098.db2.gz PXNHPBCLYGSIOE-OWYJLGKBSA-N 1 0 382.302 2.920 20 0 GFADRO C[N@H+](CCNC(=O)c1cc(Br)c2ncc(C=O)n2c1)C1CCCC1 ZINC000859227003 662146292 /nfs/dbraw/zinc/14/62/92/662146292.db2.gz VLPVLZKGDXXIKR-UHFFFAOYSA-N 1 0 393.285 2.514 20 0 GFADRO C[NH+](C)CCOC1CCN(C(=O)c2ccc(SC(F)(F)F)nc2)CC1 ZINC000859352937 662155588 /nfs/dbraw/zinc/15/55/88/662155588.db2.gz VOOJHFQWFPBMMT-UHFFFAOYSA-N 1 0 377.432 2.876 20 0 GFADRO O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)c1cc(O)cc(Br)c1 ZINC000859356322 662156000 /nfs/dbraw/zinc/15/60/00/662156000.db2.gz ODLFXORATVPUBR-INIZCTEOSA-N 1 0 383.286 2.528 20 0 GFADRO O=C(NC1CC[NH+](C[C@H]2CCCO2)CC1)c1cc(O)cc(Br)c1 ZINC000859356323 662156065 /nfs/dbraw/zinc/15/60/65/662156065.db2.gz ODLFXORATVPUBR-MRXNPFEDSA-N 1 0 383.286 2.528 20 0 GFADRO C[NH+](C)C[C@@H]1CN(C(=O)c2cc(Br)cnc2F)c2ccccc2O1 ZINC000860058900 662185317 /nfs/dbraw/zinc/18/53/17/662185317.db2.gz KDCHRHPQGADWIV-GFCCVEGCSA-N 1 0 394.244 2.953 20 0 GFADRO C[NH+](C)CCOCCNC(=O)C(C)(C)[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000860630992 662208036 /nfs/dbraw/zinc/20/80/36/662208036.db2.gz LEUGIMQHFYLOKO-HNNXBMFYSA-N 1 0 377.312 2.747 20 0 GFADRO O=C(NCC[N@H+]1CC[C@@H](O)C1)Nc1ccc2cc(Br)ccc2c1 ZINC000860781472 662215162 /nfs/dbraw/zinc/21/51/62/662215162.db2.gz BHEMWVZTSOVDOH-MRXNPFEDSA-N 1 0 378.270 2.790 20 0 GFADRO COCC[NH+]1CCC(OC(=O)[C@@H]2[C@@H]3Cc4c(cccc4Br)[C@@H]32)CC1 ZINC000860861477 662218506 /nfs/dbraw/zinc/21/85/06/662218506.db2.gz UGIRJPWHQBUFAZ-BPQIPLTHSA-N 1 0 394.309 2.989 20 0 GFADRO C[NH+](C)C[C@H]1CCN(C(=O)C(=O)Nc2cccc(SC(F)(F)F)c2)C1 ZINC000861745994 662257412 /nfs/dbraw/zinc/25/74/12/662257412.db2.gz FAFUSEVUHQIJCI-LLVKDONJSA-N 1 0 375.416 2.647 20 0 GFADRO CN(CC[NH2+]C[C@@H]1CC(F)(F)CN1C(=O)OC(C)(C)C)CC(F)(F)F ZINC000862279979 662279261 /nfs/dbraw/zinc/27/92/61/662279261.db2.gz VHAYEBVDYABJPR-NSHDSACASA-N 1 0 375.382 2.715 20 0 GFADRO C[C@]1(C[NH+]2CCC([C@@H]3OCC[C@H]3NC(=O)C(F)(F)F)CC2)CCCS1 ZINC000862386693 662284121 /nfs/dbraw/zinc/28/41/21/662284121.db2.gz ZOZKLEVKHYQWNK-IJEWVQPXSA-N 1 0 380.476 2.820 20 0 GFADRO C[C@@]1(C[NH+]2CCC(n3nncc3I)CC2)CCCS1 ZINC000862415930 662286624 /nfs/dbraw/zinc/28/66/24/662286624.db2.gz KZQFUYMHIUYEQP-ZDUSSCGKSA-N 1 0 392.310 2.805 20 0 GFADRO C[N@@H+]1CCCC[C@@H](CNC(=O)/C=C/c2ccc(I)o2)C1 ZINC000862790710 662301915 /nfs/dbraw/zinc/30/19/15/662301915.db2.gz UTPBLHXBGMSUKR-WMADIVHISA-N 1 0 388.249 2.746 20 0 GFADRO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CC[C@@H](O)[C@H]1c1ccc(Br)cc1 ZINC000863580305 662338780 /nfs/dbraw/zinc/33/87/80/662338780.db2.gz KSCUHDGVVLVPQH-ZHCAMHROSA-N 1 0 381.314 2.956 20 0 GFADRO C[NH+](C)[C@H]1CCCN(C(=O)c2cc(Br)ncc2Br)C1 ZINC000865128543 662400445 /nfs/dbraw/zinc/40/04/45/662400445.db2.gz PUZZPWGBUXGTKT-VIFPVBQESA-N 1 0 391.107 2.773 20 0 GFADRO CN1C(=O)N(C[C@H]2CC[N@@H+](C3CC3)C2)C(=O)[C@H]1c1ccc(Br)s1 ZINC000865298120 662410637 /nfs/dbraw/zinc/41/06/37/662410637.db2.gz BUKRBUAJJCJXQP-IINYFYTJSA-N 1 0 398.326 2.930 20 0 GFADRO C[C@H](Cc1ccc(Br)cc1)[NH2+]Cc1cn(C[C@@H]2CCCO2)nn1 ZINC000865414523 662419822 /nfs/dbraw/zinc/41/98/22/662419822.db2.gz ABXPBUDRCJDQAX-DYVFJYSZSA-N 1 0 379.302 2.940 20 0 GFADRO Cn1ncc2cc(C[NH2+]C[C@@H](O)COc3cccc(Cl)c3Cl)cnc21 ZINC000865430930 662421245 /nfs/dbraw/zinc/42/12/45/662421245.db2.gz VQBMSMCSFMTEKE-CYBMUJFWSA-N 1 0 381.263 2.805 20 0 GFADRO C[C@H](CNc1nc(-c2ccc(Br)cc2)no1)N1CC[NH+](C)CC1 ZINC000865503956 662425676 /nfs/dbraw/zinc/42/56/76/662425676.db2.gz ZYYHBVUHEFOVKW-GFCCVEGCSA-N 1 0 380.290 2.547 20 0 GFADRO CC(C)(C)OC(=O)Nc1cnc(C[NH2+]CCn2cc(Br)cn2)cn1 ZINC000865566503 662429955 /nfs/dbraw/zinc/42/99/55/662429955.db2.gz JOKZWGIDELGLAU-UHFFFAOYSA-N 1 0 397.277 2.572 20 0 GFADRO COc1ncc(Br)cc1C[NH2+]C[C@H]1CS(=O)(=O)c2ccccc21 ZINC000865582328 662430535 /nfs/dbraw/zinc/43/05/35/662430535.db2.gz GZAIEFZGNLXZDV-LBPRGKRZSA-N 1 0 397.294 2.513 20 0 GFADRO C[C@@](CO)(Cc1ccc(Cl)cc1)[NH2+]Cc1cnc(N2CCOCC2)s1 ZINC000865771469 662442437 /nfs/dbraw/zinc/44/24/37/662442437.db2.gz IVSKHTRUVUURQX-SFHVURJKSA-N 1 0 381.929 2.716 20 0 GFADRO Brc1cc(C[NH2+]C[C@H]2CC3(CO2)CCOCC3)cc2c1OCCO2 ZINC000865781963 662443148 /nfs/dbraw/zinc/44/31/48/662443148.db2.gz VISVMAXFTLXXQF-CQSZACIVSA-N 1 0 398.297 2.896 20 0 GFADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)c2ccc(SC(F)(F)F)o2)CC1 ZINC000865802139 662444278 /nfs/dbraw/zinc/44/42/78/662444278.db2.gz KEPXHQKAFRLOSM-LBPRGKRZSA-N 1 0 379.448 2.895 20 0 GFADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)c2cc3ccnc(Cl)c3s2)CC1 ZINC000865801850 662444306 /nfs/dbraw/zinc/44/43/06/662444306.db2.gz DZLKUTSSRKKTRS-ZDUSSCGKSA-N 1 0 380.945 2.953 20 0 GFADRO C[C@@H](CC[NH+](C)C)NC(=O)c1cc(Br)ncc1Br ZINC000865811577 662444905 /nfs/dbraw/zinc/44/49/05/662444905.db2.gz UYSAOZSURHHWPC-QMMMGPOBSA-N 1 0 379.096 2.677 20 0 GFADRO CN(C)CC[NH+]1CCC(CNC(=O)c2cc3c(ccnc3Cl)s2)CC1 ZINC000865810715 662444973 /nfs/dbraw/zinc/44/49/73/662444973.db2.gz VJXNRNHNBKUZBW-UHFFFAOYSA-N 1 0 380.945 2.953 20 0 GFADRO C[C@H](CC[NH+](C)C)NC(=O)c1cc(Br)ncc1Br ZINC000865811476 662444988 /nfs/dbraw/zinc/44/49/88/662444988.db2.gz UYSAOZSURHHWPC-MRVPVSSYSA-N 1 0 379.096 2.677 20 0 GFADRO CN(C)C(=O)c1ccc(C[NH2+][C@H]2COc3cccc(Br)c3C2)[nH]1 ZINC000865820829 662445567 /nfs/dbraw/zinc/44/55/67/662445567.db2.gz YBQYBSHXTMWUKG-GFCCVEGCSA-N 1 0 378.270 2.572 20 0 GFADRO CN1CC[C@H]([NH+]2CCC(Nc3ccc(C(F)(F)F)c(Cl)n3)CC2)C1=O ZINC000865885921 662449418 /nfs/dbraw/zinc/44/94/18/662449418.db2.gz BWJNCSLSDNDVSZ-LBPRGKRZSA-N 1 0 376.810 2.861 20 0 GFADRO Cc1ccc(Br)c(CS(=O)(=O)N(C)C2CC[NH+](C)CC2)c1 ZINC000866373860 662469314 /nfs/dbraw/zinc/46/93/14/662469314.db2.gz VQFCICCPTLPVBA-UHFFFAOYSA-N 1 0 375.332 2.613 20 0 GFADRO C[C@H]([NH2+]CC[C@H]1CCSC1)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000866402270 662470441 /nfs/dbraw/zinc/47/04/41/662470441.db2.gz IZMLNLPCBZXYKC-HOTGVXAUSA-N 1 0 384.567 2.501 20 0 GFADRO C[NH+](C)CCN(Cc1ccco1)C(=O)c1cc(Br)cn2ccnc12 ZINC000866491233 662476804 /nfs/dbraw/zinc/47/68/04/662476804.db2.gz OHIGXBLCSBDEQT-UHFFFAOYSA-N 1 0 391.269 2.894 20 0 GFADRO CNS(=O)(=O)c1ccc(CC[NH2+][C@@H](C)c2nc3c(s2)CCCC3)cc1 ZINC000866579298 662481470 /nfs/dbraw/zinc/48/14/70/662481470.db2.gz PWRGKHOTHFUPIU-ZDUSSCGKSA-N 1 0 379.551 2.823 20 0 GFADRO C[NH2+]CC1CCN(S(=O)(=O)c2oc3ccccc3c2Br)CC1 ZINC000866739679 662493323 /nfs/dbraw/zinc/49/33/23/662493323.db2.gz FDRGSUXBHCCFAP-UHFFFAOYSA-N 1 0 387.299 2.815 20 0 GFADRO O=S(=O)(c1ccc2ccnc(Cl)c2c1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000866764841 662495809 /nfs/dbraw/zinc/49/58/09/662495809.db2.gz RAPMTYQURZETEZ-HNNXBMFYSA-N 1 0 379.913 2.898 20 0 GFADRO Cc1ccc(Br)c(CS(=O)(=O)N[C@H]2CC[NH2+]CC2(C)C)c1 ZINC000866770182 662496271 /nfs/dbraw/zinc/49/62/71/662496271.db2.gz UFDLXZICODMFMY-AWEZNQCLSA-N 1 0 375.332 2.565 20 0 GFADRO C[C@@H](NS(=O)(=O)Cc1ccc(Cl)cc1Br)C1CC[NH2+]CC1 ZINC000866811300 662500637 /nfs/dbraw/zinc/50/06/37/662500637.db2.gz QNZOSQYVWBREBB-SNVBAGLBSA-N 1 0 395.750 2.910 20 0 GFADRO CC(C)(C)[C@@]1(C[NH3+])CCN(S(=O)(=O)c2cc(F)ccc2Br)C1 ZINC000866815166 662501416 /nfs/dbraw/zinc/50/14/16/662501416.db2.gz LQMXZTNSIDFQIT-OAHLLOKOSA-N 1 0 393.322 2.974 20 0 GFADRO Cc1ccc(Br)c(CS(=O)(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000866871557 662505409 /nfs/dbraw/zinc/50/54/09/662505409.db2.gz PLUNRYVPTPJRRX-TZMCWYRMSA-N 1 0 375.332 2.660 20 0 GFADRO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000867292134 662539566 /nfs/dbraw/zinc/53/95/66/662539566.db2.gz MTYKLQTVQLUNOF-CJNGLKHVSA-N 1 0 384.307 2.504 20 0 GFADRO C[NH+]1CCC2(CCN(S(=O)(=O)c3cc(Cl)cnc3Cl)CC2)CC1 ZINC000867619020 662563216 /nfs/dbraw/zinc/56/32/16/662563216.db2.gz DFUXHEILEBQABN-UHFFFAOYSA-N 1 0 378.325 2.885 20 0 GFADRO C[NH+]1CCC2(CCN(S(=O)(=O)c3ccc(C(F)(F)F)cn3)CC2)CC1 ZINC000867618797 662563258 /nfs/dbraw/zinc/56/32/58/662563258.db2.gz LSNWTOCUFNGQFW-UHFFFAOYSA-N 1 0 377.432 2.597 20 0 GFADRO COc1ccc(S(=O)(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)c(Cl)c1Cl ZINC000867813254 662579522 /nfs/dbraw/zinc/57/95/22/662579522.db2.gz SZESYOCUIKERTD-WDEREUQCSA-N 1 0 379.309 2.717 20 0 GFADRO O=C(NC[C@@H]1CCC[NH2+]1)c1c(F)ccc(I)c1Cl ZINC000867964501 662589799 /nfs/dbraw/zinc/58/97/99/662589799.db2.gz ZYCHEAJYKPNMMD-ZETCQYMHSA-N 1 0 382.604 2.566 20 0 GFADRO [NH3+][C@H](C(=O)NCc1cccc2c1OCCCO2)c1cccc(Br)c1 ZINC000867976252 662590197 /nfs/dbraw/zinc/59/01/97/662590197.db2.gz HKQLSZONCCBQRH-INIZCTEOSA-N 1 0 391.265 2.927 20 0 GFADRO C[C@H](NC(=O)c1ncc(Br)cc1Br)C1CC[NH2+]CC1 ZINC000868014411 662591496 /nfs/dbraw/zinc/59/14/96/662591496.db2.gz MYHWKUXJKNDWJH-QMMMGPOBSA-N 1 0 391.107 2.725 20 0 GFADRO Cc1cc(I)ccc1NC(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000868091033 662594496 /nfs/dbraw/zinc/59/44/96/662594496.db2.gz UPOQMJMNAGXNGC-KGLIPLIRSA-N 1 0 385.249 2.958 20 0 GFADRO COC(=O)c1cc(NC(=O)N2CCC[C@@H]3[NH2+]CC[C@@H]32)c(C)cc1Br ZINC000868158163 662597003 /nfs/dbraw/zinc/59/70/03/662597003.db2.gz JCLCGVUFQXRLEF-ZFWWWQNUSA-N 1 0 396.285 2.902 20 0 GFADRO CC1(C)CC[C@@H](CNC(=O)C(=O)Nc2nc(-c3cccs3)cs2)[NH2+]C1 ZINC000868268072 662599846 /nfs/dbraw/zinc/59/98/46/662599846.db2.gz XHGPFZJKAAQKEB-NSHDSACASA-N 1 0 378.523 2.705 20 0 GFADRO [NH3+]CC12CCC(CC1)N2C(=O)C(=O)Nc1ccc(C(F)(F)F)cc1Cl ZINC000868289530 662600556 /nfs/dbraw/zinc/60/05/56/662600556.db2.gz PFRVGNKONMNZKC-UHFFFAOYSA-N 1 0 375.778 2.780 20 0 GFADRO O=C([C@@H](O)c1cnc[nH]1)N1CCCC[C@@H]1Cc1ccccc1Br ZINC000868593830 662611151 /nfs/dbraw/zinc/61/11/51/662611151.db2.gz AIDGTQNEYWHEAO-CJNGLKHVSA-N 1 0 378.270 2.829 20 0 GFADRO C[N@@H+]1CC[C@H]2CN(C(=O)N[C@@H]3[C@H]4Cc5cc(Br)ccc5[C@@H]34)CC[C@@H]21 ZINC000868910586 662624548 /nfs/dbraw/zinc/62/45/48/662624548.db2.gz VKUPSZKDHAKUFZ-PXALQNAGSA-N 1 0 390.325 2.823 20 0 GFADRO O=C(NCc1ccc(Br)cn1)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000869117933 662630017 /nfs/dbraw/zinc/63/00/17/662630017.db2.gz QJERIRXMCGMBRS-KRWDZBQOSA-N 1 0 389.297 2.918 20 0 GFADRO CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)C2(Cc3ccccc3Br)CC2)C1 ZINC000869777492 662661242 /nfs/dbraw/zinc/66/12/42/662661242.db2.gz IBZNADMPPAMDTM-HNNXBMFYSA-N 1 0 395.341 2.733 20 0 GFADRO CC(=O)N[C@@H](C(=O)OCCC[NH+]1CCCC1)c1cccc(Br)c1 ZINC000869977892 662669885 /nfs/dbraw/zinc/66/98/85/662669885.db2.gz ZIULRLCFBRXABW-MRXNPFEDSA-N 1 0 383.286 2.655 20 0 GFADRO CCC1([NH+](C)C)CCN(C(=O)c2sccc2S(=O)(=O)C(F)F)CC1 ZINC000870572633 662695030 /nfs/dbraw/zinc/69/50/30/662695030.db2.gz WABFOJONQCIYTR-UHFFFAOYSA-N 1 0 380.482 2.691 20 0 GFADRO C[C@H](C[C@@H]1CCCC[N@@H+]1C)OC(=O)c1nccn2c(Br)cnc12 ZINC000870786645 662701686 /nfs/dbraw/zinc/70/16/86/662701686.db2.gz YICRWSYAZLZVEB-NEPJUHHUSA-N 1 0 381.274 2.912 20 0 GFADRO [NH3+][C@H]1CC[C@@H](C(=O)N2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)CC1 ZINC000870866179 662703947 /nfs/dbraw/zinc/70/39/47/662703947.db2.gz UCIURWMDLSCRBK-XBXGTLAGSA-N 1 0 384.307 2.795 20 0 GFADRO [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)NCCSCCOc2cccc(Br)c2)C1 ZINC000870885201 662704786 /nfs/dbraw/zinc/70/47/86/662704786.db2.gz DJTUSEPXPKGRQL-DXCKQFNASA-N 1 0 399.354 2.805 20 0 GFADRO [NH3+][C@@H](C(=O)NC[C@H](CO)Cc1ccc(F)cc1)c1cccc(Br)c1 ZINC000870903480 662707425 /nfs/dbraw/zinc/70/74/25/662707425.db2.gz WHAJYLYATLWOKJ-CXAGYDPISA-N 1 0 395.272 2.555 20 0 GFADRO Cc1cnc(N2CCN(C(=O)[C@H]([NH3+])c3cccc(Br)c3)CC2)s1 ZINC000870925561 662708377 /nfs/dbraw/zinc/70/83/77/662708377.db2.gz KSMLVBGCFMLYOV-CQSZACIVSA-N 1 0 395.326 2.563 20 0 GFADRO [NH3+][C@H]1CC[C@@H](C(=O)NCc2noc(-c3cccc(Br)c3)n2)CC1 ZINC000870931741 662708686 /nfs/dbraw/zinc/70/86/86/662708686.db2.gz LWUXEQPGNBYHKA-GSJFWJNXSA-N 1 0 379.258 2.633 20 0 GFADRO CN1CCN(C(=O)c2cnc(-c3c(Cl)cccc3Cl)s2)[C@@H](C[NH3+])C1 ZINC000870938386 662709133 /nfs/dbraw/zinc/70/91/33/662709133.db2.gz NCAXAENEULOWAS-JTQLQIEISA-N 1 0 385.320 2.832 20 0 GFADRO C[C@H](CCC[NH3+])NC(=O)c1c(F)ccc(I)c1Cl ZINC000870947869 662711103 /nfs/dbraw/zinc/71/11/03/662711103.db2.gz UJLZWVMDLFBDSN-SSDOTTSWSA-N 1 0 384.620 2.941 20 0 GFADRO [NH3+][C@H]1CC[C@H](C(=O)Nc2nc3cc(I)ccc3[nH]2)CC1 ZINC000870956839 662711504 /nfs/dbraw/zinc/71/15/04/662711504.db2.gz LSDBEMDJPSAMLU-CZMCAQCFSA-N 1 0 384.221 2.624 20 0 GFADRO [NH3+][C@H]1C[C@H](CNC(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)c(Cl)c3)C2)C1 ZINC000870969928 662711743 /nfs/dbraw/zinc/71/17/43/662711743.db2.gz WJICWDBBOMNKKY-MRVWCRGKSA-N 1 0 384.307 2.699 20 0 GFADRO CCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000871063883 662714651 /nfs/dbraw/zinc/71/46/51/662714651.db2.gz KOUOFCNAGNXUGB-SMDDNHRTSA-N 1 0 379.306 2.586 20 0 GFADRO Cn1c(SCC(=O)N2CC[N@H+](C)C(C)(C)CC2)nnc1-c1cccs1 ZINC000871153125 662716473 /nfs/dbraw/zinc/71/64/73/662716473.db2.gz HGOORCHGQBMBNK-UHFFFAOYSA-N 1 0 379.555 2.578 20 0 GFADRO Cc1nn(C)c(Br)c1C(=O)N[C@@H]1CC[N@H+](Cc2ccc(C)cc2)C1 ZINC000871188363 662717178 /nfs/dbraw/zinc/71/71/78/662717178.db2.gz OPSLHTWQUNWZIJ-OAHLLOKOSA-N 1 0 391.313 2.804 20 0 GFADRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2ccc(F)c(C(F)F)c2)C[C@@H]1C(F)(F)F ZINC000871813019 662735291 /nfs/dbraw/zinc/73/52/91/662735291.db2.gz NLXSGGAJMKQSGJ-XCBNKYQSSA-N 1 0 376.322 2.521 20 0 GFADRO Cc1ccc(S(=O)(=O)N2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)cc1C(F)(F)F ZINC000871814035 662735494 /nfs/dbraw/zinc/73/54/94/662735494.db2.gz OGLOKWWZKSWMQA-JOYOIKCWSA-N 1 0 390.349 2.772 20 0 GFADRO C[N@@H+]1CCn2nc(N[C@@H]3CCN(c4ccc(Cl)c(Cl)c4)C3=O)cc2C1 ZINC000871925767 662742804 /nfs/dbraw/zinc/74/28/04/662742804.db2.gz BCFLYNAGMIDYLI-OAHLLOKOSA-N 1 0 380.279 2.853 20 0 GFADRO O=S1(=O)CC[C@H](C[NH2+][C@@H](c2cccc(Br)c2)[C@@H]2CCOC2)C1 ZINC000872019598 662753978 /nfs/dbraw/zinc/75/39/78/662753978.db2.gz XEPYQAMXOGFLON-XPKDYRNWSA-N 1 0 388.327 2.551 20 0 GFADRO CS(=O)(=O)CCC[NH2+][C@@H](c1cccc(Br)c1)[C@H]1CCOC1 ZINC000872032033 662754303 /nfs/dbraw/zinc/75/43/03/662754303.db2.gz PGWXCXQAVMQZSF-ZFWWWQNUSA-N 1 0 376.316 2.551 20 0 GFADRO Cn1ncc(I)c1C[NH2+][C@@H]1CCO[C@H](C(C)(C)C)C1 ZINC000872092487 662755833 /nfs/dbraw/zinc/75/58/33/662755833.db2.gz CGXFBYPYNXYDKX-MFKMUULPSA-N 1 0 377.270 2.708 20 0 GFADRO Brc1cccc([C@@H]([NH2+]C2CN(c3ccncn3)C2)[C@@H]2CCOC2)c1 ZINC000872091239 662755842 /nfs/dbraw/zinc/75/58/42/662755842.db2.gz HHVFUZFXNMEHOP-RDTXWAMCSA-N 1 0 389.297 2.795 20 0 GFADRO CN(Cc1cc(Br)c(Cl)c(Br)c1)C[C@@H](O)C[NH3+] ZINC000872142568 662756427 /nfs/dbraw/zinc/75/64/27/662756427.db2.gz AGNNNFOXSNLIGH-QMMMGPOBSA-N 1 0 386.515 2.616 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CN1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000872148129 662756669 /nfs/dbraw/zinc/75/66/69/662756669.db2.gz NQJKUAHVEYOTCH-PWSUYJOCSA-N 1 0 394.235 2.765 20 0 GFADRO CC(C)(O)C[C@H](O)C[NH2+]CC1(c2ccc(Br)cc2)CCOCC1 ZINC000872199949 662757740 /nfs/dbraw/zinc/75/77/40/662757740.db2.gz KZUOLQZWMKSYED-INIZCTEOSA-N 1 0 386.330 2.609 20 0 GFADRO CC(C)(O)C[C@@H](O)C[NH2+]Cc1ccc(Cl)cc1I ZINC000872206914 662757778 /nfs/dbraw/zinc/75/77/78/662757778.db2.gz JEHBGNKBRRMQFC-LLVKDONJSA-N 1 0 383.657 2.556 20 0 GFADRO CCOC(=O)c1cc(C[NH2+]CCC(=O)Nc2cccc(Br)c2)on1 ZINC000872229401 662758399 /nfs/dbraw/zinc/75/83/99/662758399.db2.gz QJZVDZBTVFCCHS-UHFFFAOYSA-N 1 0 396.241 2.732 20 0 GFADRO CC(C)(C)[S@](C)(=O)=NS(=O)(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000872431456 662765703 /nfs/dbraw/zinc/76/57/03/662765703.db2.gz CLDMWGHLGXWMFD-DEOSSOPVSA-N 1 0 387.571 2.513 20 0 GFADRO CC1([NH+]2CCCCC2)CCN(S(=O)(=O)c2ccc(Cl)nc2F)CC1 ZINC000872530373 662775540 /nfs/dbraw/zinc/77/55/40/662775540.db2.gz UAIGGMMSXGCFCW-UHFFFAOYSA-N 1 0 375.897 2.903 20 0 GFADRO Cc1ncc(S(=O)(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@]3(C)C2)s1 ZINC000872597939 662779359 /nfs/dbraw/zinc/77/93/59/662779359.db2.gz VAOYIMXLVQLNQL-FUHWJXTLSA-N 1 0 377.535 2.594 20 0 GFADRO Ic1cnnn1C1CCN(c2cc[nH+]cc2C2CC2)CC1 ZINC000872600344 662779382 /nfs/dbraw/zinc/77/93/82/662779382.db2.gz JKMMUVZCDQHBAF-UHFFFAOYSA-N 1 0 395.248 2.997 20 0 GFADRO OC[C@H]1C[N@@H+]2CCC[C@H]2CN1c1nc(C(F)(F)F)c(Br)s1 ZINC000872757867 662788097 /nfs/dbraw/zinc/78/80/97/662788097.db2.gz NKPVTWQDIKFQGT-JGVFFNPUSA-N 1 0 386.237 2.570 20 0 GFADRO Cn1c2ccccc2c(Br)c1C[NH2+]CC1(CS(C)(=O)=O)CC1 ZINC000873070519 662798660 /nfs/dbraw/zinc/79/86/60/662798660.db2.gz CTMBTSMLNRIYRB-UHFFFAOYSA-N 1 0 385.327 2.855 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)C[C@@H]1C(F)(F)F ZINC000873105230 662800036 /nfs/dbraw/zinc/80/00/36/662800036.db2.gz TZTZIWPKFNPARI-CBAPKCEASA-N 1 0 384.185 2.528 20 0 GFADRO C[S@@](=O)C1(C[NH2+]Cc2cccc(F)c2I)CCC1 ZINC000873120769 662800474 /nfs/dbraw/zinc/80/04/74/662800474.db2.gz ZOIMICPQTPRVQX-GOSISDBHSA-N 1 0 381.254 2.821 20 0 GFADRO COc1ccc(C[C@](C)(CO)[NH2+]Cc2cccnc2Br)cc1OC ZINC000873192529 662803673 /nfs/dbraw/zinc/80/36/73/662803673.db2.gz GOLBGFYDWQLFSF-GOSISDBHSA-N 1 0 395.297 2.945 20 0 GFADRO [NH3+]C[C@@H]1CN(Cc2cc(Br)cc3c2OCC3)C[C@@H]1C(F)(F)F ZINC000873227296 662804192 /nfs/dbraw/zinc/80/41/92/662804192.db2.gz FSEJAUORUQDMLR-YPMHNXCESA-N 1 0 379.220 2.953 20 0 GFADRO CCS(=O)(=O)c1c(Cl)cccc1CN1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000873227950 662804311 /nfs/dbraw/zinc/80/43/11/662804311.db2.gz NGYJRGMDAARUMZ-VXGBXAGGSA-N 1 0 384.851 2.703 20 0 GFADRO C[C@@H](NCc1cccc(-n2cc(C[NH3+])nn2)c1)c1ncc(Br)s1 ZINC000873247366 662804627 /nfs/dbraw/zinc/80/46/27/662804627.db2.gz LNQAFMYNIAPMGZ-SNVBAGLBSA-N 1 0 393.314 2.796 20 0 GFADRO O=C(NC[C@H]1CC2(CO1)CC[NH2+]CC2)Nc1ccc(F)cc1Br ZINC000873303797 662804982 /nfs/dbraw/zinc/80/49/82/662804982.db2.gz KJTBDGMIRHLZRC-GFCCVEGCSA-N 1 0 386.265 2.868 20 0 GFADRO CCOC(=O)c1sc(NC(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)cc1C ZINC000873307202 662805072 /nfs/dbraw/zinc/80/50/72/662805072.db2.gz KBNVZYTXNWNPIK-NXEZZACHSA-N 1 0 379.404 2.834 20 0 GFADRO O=C(NC[C@H]1CC2(CO1)CC[NH2+]CC2)Nc1nc(CC(F)(F)F)cs1 ZINC000873329297 662805651 /nfs/dbraw/zinc/80/56/51/662805651.db2.gz UUOLBMRGRLKNQQ-LLVKDONJSA-N 1 0 378.420 2.528 20 0 GFADRO [NH3+]C[C@@H]1CN(N2CCO[C@@H](c3c(F)cccc3Cl)C2)C[C@H]1C(F)(F)F ZINC000873331656 662805653 /nfs/dbraw/zinc/80/56/53/662805653.db2.gz CDYMNQNBFUAQHW-JTNHKYCSSA-N 1 0 381.801 2.836 20 0 GFADRO C[C@H](CC[NH+](C)C)NC(=O)C(=O)Nc1c(F)cc(Cl)cc1Br ZINC000873696232 662811978 /nfs/dbraw/zinc/81/19/78/662811978.db2.gz OIGCBNPZLQLWFM-MRVPVSSYSA-N 1 0 394.672 2.637 20 0 GFADRO CC(C)[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2cc(Cl)cc(Cl)c2F)C1 ZINC000873695239 662811999 /nfs/dbraw/zinc/81/19/99/662811999.db2.gz INKQKJQIFCBTCT-SNVBAGLBSA-N 1 0 376.259 2.918 20 0 GFADRO CCc1ccc(Br)c(NC(=O)C(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000873831117 662815641 /nfs/dbraw/zinc/81/56/41/662815641.db2.gz SHWQFYFOMJQEGM-JSGCOSHPSA-N 1 0 396.329 2.891 20 0 GFADRO CCn1ncc(C(=O)N2C[C@H]([NH+](C)C)Cc3ccccc32)c1Br ZINC000874450376 662831470 /nfs/dbraw/zinc/83/14/70/662831470.db2.gz YPLJQUZHBGIZBA-CYBMUJFWSA-N 1 0 377.286 2.799 20 0 GFADRO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)c1cc(=O)c2cc(Br)ccc2[nH]1 ZINC000874839046 662838164 /nfs/dbraw/zinc/83/81/64/662838164.db2.gz SULRHFSXIGJNPZ-JKSUJKDBSA-N 1 0 390.281 2.599 20 0 GFADRO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)c1cnn(-c2cccc(Br)c2)c1 ZINC000874840604 662838185 /nfs/dbraw/zinc/83/81/85/662838185.db2.gz PPYABERKOWMEFP-IAGOWNOFSA-N 1 0 389.297 2.944 20 0 GFADRO C[NH+]1CCC(n2cc(NC(=O)N[C@@H]3CC[C@H]4SCCS[C@H]34)cn2)CC1 ZINC000875434983 662845907 /nfs/dbraw/zinc/84/59/07/662845907.db2.gz NRYVHTRJGNISLS-BZUAXINKSA-N 1 0 381.571 2.651 20 0 GFADRO CCOC(=O)Cc1csc(N(CC[NH+](C)C)C(=O)c2sccc2F)n1 ZINC000876316525 662859629 /nfs/dbraw/zinc/85/96/29/662859629.db2.gz LJGCEGAFKIDMEI-UHFFFAOYSA-N 1 0 385.486 2.658 20 0 GFADRO C[C@@]1(Br)C[C@H]1C(=O)Nc1ccccc1C(=O)OC1CC[NH2+]CC1 ZINC000876520115 662862478 /nfs/dbraw/zinc/86/24/78/662862478.db2.gz GHVHJPWTYCASAY-SUMWQHHRSA-N 1 0 381.270 2.707 20 0 GFADRO CNC(=O)c1cc(Cl)ccc1NC(=O)c1csc(C2CC[NH2+]CC2)n1 ZINC000876583357 662863195 /nfs/dbraw/zinc/86/31/95/662863195.db2.gz IOVKXVJRYDEZIN-UHFFFAOYSA-N 1 0 378.885 2.875 20 0 GFADRO O=C(/C=C\[C@@H]1CCC[NH2+]C1)N1CCO[C@@H](c2ccccc2Br)C1 ZINC000876628283 662863764 /nfs/dbraw/zinc/86/37/64/662863764.db2.gz OQWBXFCVHLTEHG-RAVISTAHSA-N 1 0 379.298 2.905 20 0 GFADRO O=C(/C=C\[C@@H]1CCC[NH2+]C1)N1CCO[C@H](c2ccccc2Br)C1 ZINC000876628279 662863769 /nfs/dbraw/zinc/86/37/69/662863769.db2.gz OQWBXFCVHLTEHG-DASIODGOSA-N 1 0 379.298 2.905 20 0 GFADRO O=C(Nc1ccc(CCn2cc(Br)cn2)cc1)[C@H](F)[C@@H]1CC[NH2+]C1 ZINC000876677460 662864647 /nfs/dbraw/zinc/86/46/47/662864647.db2.gz OTWWFJWACLICKL-CZUORRHYSA-N 1 0 395.276 2.774 20 0 GFADRO CCS(=O)(=O)C[C@@H](C)[N@H+](C)C[C@@H]1CCCCN(C(=O)OC(C)(C)C)C1 ZINC000876736093 662865653 /nfs/dbraw/zinc/86/56/53/662865653.db2.gz GAZALNIQUXLZAI-CVEARBPZSA-N 1 0 376.563 2.779 20 0 GFADRO COC(=O)c1ccc(C[N@H+](C)C[C@@H]2CCN(C(C)=O)C2)cc1Br ZINC000876814754 662866940 /nfs/dbraw/zinc/86/69/40/662866940.db2.gz IKAVISSMJBWIQN-AWEZNQCLSA-N 1 0 383.286 2.536 20 0 GFADRO Cc1cnn([C@H]2CCC[NH2+]C2)c1C(=O)Nc1cc(Br)ccc1O ZINC000876827947 662867093 /nfs/dbraw/zinc/86/70/93/662867093.db2.gz IZVQOLHWXBKEHW-LBPRGKRZSA-N 1 0 379.258 2.836 20 0 GFADRO COC(=O)c1ccc(C[NH2+]CCCOC[C@@H]2CCCO2)cc1Br ZINC000876900521 662867865 /nfs/dbraw/zinc/86/78/65/662867865.db2.gz KEWMPYYCZDMHGC-AWEZNQCLSA-N 1 0 386.286 2.911 20 0 GFADRO C[C@]1(Br)C[C@H]1C(=O)N1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000876926561 662868179 /nfs/dbraw/zinc/86/81/79/662868179.db2.gz ZCIMMSOTOUFKAP-KSSFIOAISA-N 1 0 395.345 2.756 20 0 GFADRO COC(=O)c1ccc(C[NH2+]C2CCN(C(=O)C(C)C)CC2)cc1Br ZINC000876926511 662868183 /nfs/dbraw/zinc/86/81/83/662868183.db2.gz XEAGHTLNIRQEBF-UHFFFAOYSA-N 1 0 397.313 2.972 20 0 GFADRO C[C@]1(CCNC(=O)c2nnn(C3CC[NH2+]CC3)c2C(F)F)C[C@@]1(F)Cl ZINC000876945201 662868477 /nfs/dbraw/zinc/86/84/77/662868477.db2.gz VSBYBZKYDGFCPU-GJZGRUSLSA-N 1 0 379.814 2.575 20 0 GFADRO CCS(=O)(=O)CC[NH2+][C@@H]1CCN(C)[C@@H](c2ccc(Br)cc2)C1 ZINC000877005601 662869458 /nfs/dbraw/zinc/86/94/58/662869458.db2.gz IWWLTYHQFPZILK-HZPDHXFCSA-N 1 0 389.359 2.609 20 0 GFADRO NS(=O)(=O)c1cccc(C[NH2+][C@@H]2CCCN(c3ccccc3Cl)C2)c1 ZINC000877057701 662870336 /nfs/dbraw/zinc/87/03/36/662870336.db2.gz LTUAKCDODRUSFY-OAHLLOKOSA-N 1 0 379.913 2.746 20 0 GFADRO COC(=O)c1ccc(C[NH2+]C[C@H](CO)Cc2ccco2)cc1Br ZINC000877093637 662870966 /nfs/dbraw/zinc/87/09/66/662870966.db2.gz TTXCNUPPQQAIOR-CYBMUJFWSA-N 1 0 382.254 2.770 20 0 GFADRO Cc1nn(Cc2cccc(Br)c2)c(C)c1C(=O)N(C)C[C@H](C)[NH3+] ZINC000877100696 662871108 /nfs/dbraw/zinc/87/11/08/662871108.db2.gz AOSGHUWIRKHXDL-NSHDSACASA-N 1 0 379.302 2.730 20 0 GFADRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)c1c(F)ccc(I)c1Cl ZINC000877111385 662871160 /nfs/dbraw/zinc/87/11/60/662871160.db2.gz JYNUONFNGBAWHK-IMTBSYHQSA-N 1 0 382.604 2.564 20 0 GFADRO O=S1(=O)CCC(CC[NH2+]Cc2nc(Cl)ccc2Br)CC1 ZINC000877121835 662871490 /nfs/dbraw/zinc/87/14/90/662871490.db2.gz XLCNXRARLQJEDE-UHFFFAOYSA-N 1 0 381.723 2.802 20 0 GFADRO Cc1nc(C2CC[NH2+]CC2)sc1C(=O)NCCOc1cncc(Cl)c1 ZINC000877144938 662871717 /nfs/dbraw/zinc/87/17/17/662871717.db2.gz ACEHULHEUPPBLR-UHFFFAOYSA-N 1 0 380.901 2.776 20 0 GFADRO [NH3+][C@H]1C[C@@H](CNC(=O)Cc2csc(-c3cccc(Br)c3)n2)C1 ZINC000877242967 662872413 /nfs/dbraw/zinc/87/24/13/662872413.db2.gz KCFMPPNLRPMVJN-GSJFWJNXSA-N 1 0 380.311 2.969 20 0 GFADRO O=C(N[C@@H]1[C@@H]2Cc3ccc(Br)cc3[C@@H]21)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000877261257 662872607 /nfs/dbraw/zinc/87/26/07/662872607.db2.gz KFKNURLDRFIPLX-QVHKTLOISA-N 1 0 389.215 2.745 20 0 GFADRO COC[C@H](NC(=O)[C@@]1(C(F)(F)F)CC[NH2+]C1)c1cccc(Br)c1 ZINC000877263764 662872678 /nfs/dbraw/zinc/87/26/78/662872678.db2.gz YBBKIHMSDUNSKB-GXTWGEPZSA-N 1 0 395.219 2.795 20 0 GFADRO [NH3+]C[C@]1(C(=O)Nc2ccc(Br)c(Br)c2)CCCOC1 ZINC000877264983 662872781 /nfs/dbraw/zinc/87/27/81/662872781.db2.gz DPJXVZHWGRZINB-CYBMUJFWSA-N 1 0 392.091 2.906 20 0 GFADRO O=C(c1cnn(-c2cccc(Br)c2)c1)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000877280174 662872957 /nfs/dbraw/zinc/87/29/57/662872957.db2.gz UHYROOSQAFUKIU-CVEARBPZSA-N 1 0 375.270 2.601 20 0 GFADRO O=C([C@@H]1CCN(c2cc(Cl)ccc2Cl)C1=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000877280384 662873057 /nfs/dbraw/zinc/87/30/57/662873057.db2.gz HEUJZOPGJMADCC-CFVMTHIKSA-N 1 0 382.291 2.699 20 0 GFADRO O=C(CCc1ccccc1Br)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000877337221 662873968 /nfs/dbraw/zinc/87/39/68/662873968.db2.gz RWSKNQSOKPGKBC-HNNXBMFYSA-N 1 0 381.314 2.657 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)c2cc(Br)cc3nc[nH]c32)C[C@@H]1C(F)(F)F ZINC000877353881 662874083 /nfs/dbraw/zinc/87/40/83/662874083.db2.gz VPFQYTAIZHETRS-XCBNKYQSSA-N 1 0 391.191 2.535 20 0 GFADRO Cc1cc(Br)ccc1CC(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000877358538 662874434 /nfs/dbraw/zinc/87/44/34/662874434.db2.gz PIQMCVYDNJQXQM-YPMHNXCESA-N 1 0 379.220 2.896 20 0 GFADRO COc1ccc(SC)c(OC)c1C(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000877360075 662874520 /nfs/dbraw/zinc/87/45/20/662874520.db2.gz VXMPSALNZVCPDI-ZJUUUORDSA-N 1 0 378.416 2.635 20 0 GFADRO COc1ccc(Br)cc1C(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000877363041 662874620 /nfs/dbraw/zinc/87/46/20/662874620.db2.gz AXFMCXDGLBGLGK-GZMMTYOYSA-N 1 0 381.192 2.667 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)CCc2cccc(Br)c2)C[C@H]1C(F)(F)F ZINC000877367579 662874834 /nfs/dbraw/zinc/87/48/34/662874834.db2.gz PBGZRCSUKPTDAQ-WCQYABFASA-N 1 0 379.220 2.977 20 0 GFADRO CCOc1c(Cl)cc(C(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)cc1OC ZINC000877369356 662874900 /nfs/dbraw/zinc/87/49/00/662874900.db2.gz YIUMCXMPYHKCBB-MNOVXSKESA-N 1 0 380.794 2.957 20 0 GFADRO CCOc1c(Br)cc(C(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)cc1OC ZINC000877378391 662875043 /nfs/dbraw/zinc/87/50/43/662875043.db2.gz IMEMDFMAVHTNBF-YVEFUNNKSA-N 1 0 383.286 2.538 20 0 GFADRO Cn1ncc(C(=O)N2CCC[C@H](C[C@H]([NH3+])C3CCCC3)C2)c1Br ZINC000877447054 662876087 /nfs/dbraw/zinc/87/60/87/662876087.db2.gz XFSRUMXMICBFAQ-DOMZBBRYSA-N 1 0 383.334 2.942 20 0 GFADRO COC(=O)c1ccc(C[NH2+][C@@H]2CCN(C(C)(C)C)C2=O)cc1Br ZINC000877603390 662879740 /nfs/dbraw/zinc/87/97/40/662879740.db2.gz LYHSHAQGTLEEHA-CQSZACIVSA-N 1 0 383.286 2.725 20 0 GFADRO CC[C@H](C)[C@H](C[NH+]1CCC(n2nncc2I)CC1)OC ZINC000877631275 662880264 /nfs/dbraw/zinc/88/02/64/662880264.db2.gz OJXXRMZGCZXALW-AAEUAGOBSA-N 1 0 392.285 2.581 20 0 GFADRO CC(C)[C@@H]([NH2+]Cc1cccc(S(N)(=O)=O)c1)[C@H](O)c1ccc(Cl)cc1 ZINC000877639480 662880484 /nfs/dbraw/zinc/88/04/84/662880484.db2.gz LKNVFUOQLLYMAN-QZTJIDSGSA-N 1 0 382.913 2.835 20 0 GFADRO CC(C)[C@@H]([NH2+]Cc1ccc(S(N)(=O)=O)s1)[C@@H](O)c1ccc(Cl)cc1 ZINC000877639159 662880485 /nfs/dbraw/zinc/88/04/85/662880485.db2.gz CIBXGZKMBNIPNU-CVEARBPZSA-N 1 0 388.942 2.897 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(Cc3ccc(Br)cc3N3CCOCC3)CC[C@H]21 ZINC000877740891 662882632 /nfs/dbraw/zinc/88/26/32/662882632.db2.gz KZSSZVWEZAOFCD-SJLPKXTDSA-N 1 0 394.357 2.812 20 0 GFADRO CN1CC[NH+](C2CCN(Cc3cc(Br)cnc3Cl)CC2)CC1 ZINC000877746449 662882765 /nfs/dbraw/zinc/88/27/65/662882765.db2.gz QPMYLOXQTJBOKD-UHFFFAOYSA-N 1 0 387.753 2.709 20 0 GFADRO O[C@@H](CN1CCC[N@H+](Cc2ccccc2)CC1)c1cc(Br)no1 ZINC000877925884 662886214 /nfs/dbraw/zinc/88/62/14/662886214.db2.gz FDDGJEFVAAWWNH-HNNXBMFYSA-N 1 0 380.286 2.678 20 0 GFADRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(C(=O)Cc2c(Br)cnn2C)C1 ZINC000878304194 662893627 /nfs/dbraw/zinc/89/36/27/662893627.db2.gz JUNWAXGCNWGHHY-MCIONIFRSA-N 1 0 383.334 2.589 20 0 GFADRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)Cc2c(Br)cnn2C)C1 ZINC000878304193 662893636 /nfs/dbraw/zinc/89/36/36/662893636.db2.gz JUNWAXGCNWGHHY-HZSPNIEDSA-N 1 0 383.334 2.589 20 0 GFADRO CC(C)([NH2+]C[C@H](O)c1cc(Br)no1)C(=O)NCC1CCCCC1 ZINC000878333488 662894074 /nfs/dbraw/zinc/89/40/74/662894074.db2.gz VTEOOLZDFITVTI-LBPRGKRZSA-N 1 0 388.306 2.535 20 0 GFADRO C[C@@H]([NH2+]C[C@@H](O)c1cc(Br)no1)c1cccc(N2CCOC2=O)c1 ZINC000878358835 662894493 /nfs/dbraw/zinc/89/44/93/662894493.db2.gz WLDASDAXADDNFC-ZWNOBZJWSA-N 1 0 396.241 2.778 20 0 GFADRO CC(C)[C@H]([NH2+]C[C@@H](O)c1cc(Br)no1)c1nnc2ccccn21 ZINC000878376135 662894825 /nfs/dbraw/zinc/89/48/25/662894825.db2.gz WDZVPNLFCJVXMX-YGRLFVJLSA-N 1 0 380.246 2.500 20 0 GFADRO C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[C@@H]1CCNC1=O ZINC000878414910 662895750 /nfs/dbraw/zinc/89/57/50/662895750.db2.gz PYYQWURTHCLAOO-AWEZNQCLSA-N 1 0 386.323 2.800 20 0 GFADRO C[C@H]1CN(C[C@@H](O)c2cc(Br)no2)CC[N@@H+]1Cc1ccccc1 ZINC000878711180 662903556 /nfs/dbraw/zinc/90/35/56/662903556.db2.gz JJUMZHHSIGUUHC-DZGCQCFKSA-N 1 0 380.286 2.677 20 0 GFADRO C[NH+](C)CCn1cc(NC(=O)NCCc2sccc2Br)cn1 ZINC000878848364 662907249 /nfs/dbraw/zinc/90/72/49/662907249.db2.gz PJUCECTYKIJOFO-UHFFFAOYSA-N 1 0 386.319 2.633 20 0 GFADRO Cn1ncc(Br)c1CC(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000878854700 662907388 /nfs/dbraw/zinc/90/73/88/662907388.db2.gz YDMAZBAJODSKEJ-OAHLLOKOSA-N 1 0 391.313 2.506 20 0 GFADRO FC(F)(F)c1cncc(C[N@H+](CCN2CCOCC2)[C@H]2CCSC2)c1 ZINC000878871079 662907811 /nfs/dbraw/zinc/90/78/11/662907811.db2.gz LGOVXTKWMYNUET-INIZCTEOSA-N 1 0 375.460 2.740 20 0 GFADRO CN1CC[NH+](C2CCN(C(=O)Nc3cc(F)ccc3Br)CC2)CC1 ZINC000878922115 662909630 /nfs/dbraw/zinc/90/96/30/662909630.db2.gz NGFQMKZJZFAFOE-UHFFFAOYSA-N 1 0 399.308 2.832 20 0 GFADRO C[N@H+](CCc1ccccc1)[C@@H]1CCN(C[C@H](O)c2cc(Br)no2)C1 ZINC000878935539 662910148 /nfs/dbraw/zinc/91/01/48/662910148.db2.gz CMNWKKJXDIQQNT-CVEARBPZSA-N 1 0 394.313 2.719 20 0 GFADRO O[C@@H](C[N@@H+]1CCC[C@@H](n2ccnn2)CC1)c1ccc(F)c(Br)c1 ZINC000878942406 662910439 /nfs/dbraw/zinc/91/04/39/662910439.db2.gz YABTZZLJQJFILL-CJNGLKHVSA-N 1 0 383.265 2.940 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN([C@@H]3CCN(c4cccc(Br)c4)C3=O)CC[C@H]21 ZINC000879582169 662929977 /nfs/dbraw/zinc/92/99/77/662929977.db2.gz QPRMUTIWAHLROV-KBRIMQKVSA-N 1 0 378.314 2.580 20 0 GFADRO COC[C@H]([NH2+]C[C@H]1CCCS(=O)(=O)C1)c1cccc(Br)c1 ZINC000879663120 662935138 /nfs/dbraw/zinc/93/51/38/662935138.db2.gz BYDZAMZWSUVEAI-DOMZBBRYSA-N 1 0 376.316 2.551 20 0 GFADRO C[C@H](CNC(=O)Nc1cn(C)nc1Br)[N@H+](C)Cc1ccccc1 ZINC000880044951 662946998 /nfs/dbraw/zinc/94/69/98/662946998.db2.gz BIQGXAIELSDYRV-GFCCVEGCSA-N 1 0 380.290 2.825 20 0 GFADRO CN(C(=O)Nc1cn(C)nc1Br)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000880054119 662948144 /nfs/dbraw/zinc/94/81/44/662948144.db2.gz YNYXJZGNIYRWPU-AWEZNQCLSA-N 1 0 392.301 2.921 20 0 GFADRO CN(Cc1ccccc1Br)C(=O)CN1CC[C@H]2[C@@H]1CCC[N@@H+]2C ZINC000880129461 662952010 /nfs/dbraw/zinc/95/20/10/662952010.db2.gz JLYXJCCRJQANRM-IRXDYDNUSA-N 1 0 380.330 2.576 20 0 GFADRO CN(Cc1cc(Br)cs1)C(=O)CN1CC[C@H]2[C@H]1CCC[N@@H+]2C ZINC000880132002 662952081 /nfs/dbraw/zinc/95/20/81/662952081.db2.gz DECRFEBUXRIAGP-LSDHHAIUSA-N 1 0 386.359 2.638 20 0 GFADRO Brc1cc(CN2CCC[C@H]([NH2+]C3CCOCC3)C2)cc2c1OCO2 ZINC000880207946 662954585 /nfs/dbraw/zinc/95/45/85/662954585.db2.gz CYCRIGLQKXUFRH-HNNXBMFYSA-N 1 0 397.313 2.911 20 0 GFADRO COc1cc(Br)ccc1NC(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000880633191 662966237 /nfs/dbraw/zinc/96/62/37/662966237.db2.gz YESRQFHQXWEHPT-ZDUSSCGKSA-N 1 0 398.301 2.644 20 0 GFADRO CCCC[N@H+](C)CCNC(=O)Nc1cc(Br)cc2c1NC(=O)CO2 ZINC000881270081 662986856 /nfs/dbraw/zinc/98/68/56/662986856.db2.gz POARTJSWDOOPAW-UHFFFAOYSA-N 1 0 399.289 2.633 20 0 GFADRO O=C(Cc1ccc(Br)cc1F)N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000881479435 662995463 /nfs/dbraw/zinc/99/54/63/662995463.db2.gz XQKHASFWERAPOS-INIZCTEOSA-N 1 0 399.304 2.890 20 0 GFADRO C[S@@](=O)(=NS(=O)(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1)C1CCCCC1 ZINC000881911542 663009516 /nfs/dbraw/zinc/00/95/16/663009516.db2.gz ILVJTSHVMDANRM-GYCJOSAFSA-N 1 0 391.603 2.612 20 0 GFADRO O=C(NCCC1(O)CC[NH+](Cc2ccccc2)CC1)c1nc(Cl)cs1 ZINC000882380080 663026246 /nfs/dbraw/zinc/02/62/46/663026246.db2.gz IRAOHNAGZOKVMU-UHFFFAOYSA-N 1 0 379.913 2.944 20 0 GFADRO C[N@@H+]1CCCN(CCCNC(=O)OCc2ccc(Br)cc2)CC1 ZINC000882524364 663030291 /nfs/dbraw/zinc/03/02/91/663030291.db2.gz MBYLEFGDQPLKQN-UHFFFAOYSA-N 1 0 384.318 2.703 20 0 GFADRO CN(CCCC[NH+]1CCCCC1)C(=O)c1nccn2c(Br)cnc12 ZINC000882626388 663033932 /nfs/dbraw/zinc/03/39/32/663033932.db2.gz FFPOSWXEBZRKCI-UHFFFAOYSA-N 1 0 394.317 2.830 20 0 GFADRO Cn1nc2c(c1C[NH2+]C[C@H](O)c1ccccc1Br)CSCC2 ZINC000883139873 663050338 /nfs/dbraw/zinc/05/03/38/663050338.db2.gz CAPXTJAQKYOXSV-INIZCTEOSA-N 1 0 382.327 2.795 20 0 GFADRO COC[C@H]([NH2+]C[C@H](O)COc1cccc(Cl)c1Cl)[C@@H]1CCCOC1 ZINC000883176498 663050867 /nfs/dbraw/zinc/05/08/67/663050867.db2.gz DUHVRPVNDCJIIS-IPYPFGDCSA-N 1 0 378.296 2.764 20 0 GFADRO COC[C@@H]([NH2+]CCCNC(=O)c1ccc(Br)cc1)[C@@H]1CCCOC1 ZINC000883183497 663050938 /nfs/dbraw/zinc/05/09/38/663050938.db2.gz CONMZCLTJQSNHR-NVXWUHKLSA-N 1 0 399.329 2.600 20 0 GFADRO COC[C@@H]([NH2+]Cc1cn2cc(Br)cc(C)c2n1)[C@H]1CCCOC1 ZINC000883216330 663051591 /nfs/dbraw/zinc/05/15/91/663051591.db2.gz OJYJWPBWRDUCFA-XJKSGUPXSA-N 1 0 382.302 2.936 20 0 GFADRO C[C@@H]([NH2+]CCc1ccns1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000883247718 663051911 /nfs/dbraw/zinc/05/19/11/663051911.db2.gz TXDAOOHNKVHMOS-MRVPVSSYSA-N 1 0 380.322 2.991 20 0 GFADRO COc1ccc(C[NH2+]CC2(S(=O)(=O)NC(C)(C)C)CC2)c(Cl)c1OC ZINC000883291944 663052515 /nfs/dbraw/zinc/05/25/15/663052515.db2.gz YLASNDJSDQNXNY-UHFFFAOYSA-N 1 0 390.933 2.697 20 0 GFADRO C[C@]1(C[NH2+]Cc2ccc(S(N)(=O)=O)c(Cl)c2)OCCc2ccccc21 ZINC000883339678 663053667 /nfs/dbraw/zinc/05/36/67/663053667.db2.gz YWMPPHZGDNFHIE-GOSISDBHSA-N 1 0 380.897 2.565 20 0 GFADRO C[NH2+]C[C@H]1CCCCN1CC(=O)Nc1c(F)cc(F)cc1Br ZINC000883449464 663055407 /nfs/dbraw/zinc/05/54/07/663055407.db2.gz RWMQTIFZNGYREC-LLVKDONJSA-N 1 0 376.245 2.740 20 0 GFADRO O=C(CN1CC[NH2+]CCC12CCC2)Nc1c(F)cc(F)cc1Br ZINC000883458130 663055481 /nfs/dbraw/zinc/05/54/81/663055481.db2.gz XVHMREICWIDKQN-UHFFFAOYSA-N 1 0 388.256 2.884 20 0 GFADRO CC(C)([NH3+])CCNC(=O)Nc1cnc(Br)c(Br)c1 ZINC000883545913 663056914 /nfs/dbraw/zinc/05/69/14/663056914.db2.gz KQTPEWDOIFXWKP-UHFFFAOYSA-N 1 0 380.084 2.856 20 0 GFADRO Cc1nc(NC(=O)N2CCc3sc(C[NH3+])nc3C2)ccc1Br ZINC000883554853 663057069 /nfs/dbraw/zinc/05/70/69/663057069.db2.gz GZMSNHBQFMGOAD-UHFFFAOYSA-N 1 0 382.287 2.658 20 0 GFADRO C[C@]1(CCNC(=O)N2CCC[C@H]([NH2+]C3CCOCC3)C2)CC1(Cl)Cl ZINC000883729131 663059844 /nfs/dbraw/zinc/05/98/44/663059844.db2.gz JIJGRONEGFGIBJ-HOCLYGCPSA-N 1 0 378.344 2.903 20 0 GFADRO C[C@@H]1CN(C(=O)c2cc(Br)nn2-c2ncccc2Cl)C[C@H](C)[NH2+]1 ZINC000884030366 663063990 /nfs/dbraw/zinc/06/39/90/663063990.db2.gz MZKQWGZDBPGKJF-AOOOYVTPSA-N 1 0 398.692 2.506 20 0 GFADRO C[C@@](C[NH3+])(NC(=O)c1cc(Br)nn1-c1ncccc1Cl)C1CC1 ZINC000884031106 663064127 /nfs/dbraw/zinc/06/41/27/663064127.db2.gz GUWRKBAVARYABW-HNNXBMFYSA-N 1 0 398.692 2.540 20 0 GFADRO CCOC(=O)Cc1csc(NC(=O)[C@@H]([NH3+])c2ccc(Br)cc2)n1 ZINC000884046108 663064192 /nfs/dbraw/zinc/06/41/92/663064192.db2.gz SPNVECDMGJCNFZ-ZDUSSCGKSA-N 1 0 398.282 2.650 20 0 GFADRO COCC[C@@H]([NH3+])C(=O)NCCCCSc1ccccc1Br ZINC000884132466 663065721 /nfs/dbraw/zinc/06/57/21/663065721.db2.gz QHVOGDGZSHVZOQ-CYBMUJFWSA-N 1 0 375.332 2.801 20 0 GFADRO [NH3+][C@@H](C(=O)N1CCCN(c2nccs2)CC1)c1ccc(Br)cc1 ZINC000884200668 663066867 /nfs/dbraw/zinc/06/68/67/663066867.db2.gz HZJFXBUOSLCSGA-CQSZACIVSA-N 1 0 395.326 2.644 20 0 GFADRO [NH3+][C@@H](CC1CC1)C(=O)N[C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000884230680 663067393 /nfs/dbraw/zinc/06/73/93/663067393.db2.gz XOOZYHCVOMRBEU-YPMHNXCESA-N 1 0 376.810 2.576 20 0 GFADRO Cn1ncc(Br)c1CC(=O)N1CC[NH2+]C[C@@H]1c1cccc(Cl)c1 ZINC000884279504 663068002 /nfs/dbraw/zinc/06/80/02/663068002.db2.gz METQGFLUEQQQQP-OAHLLOKOSA-N 1 0 397.704 2.552 20 0 GFADRO C[C@H](NC(=O)[C@H]([NH3+])c1ccc(Br)cc1)[C@H](O)Cc1ccccc1 ZINC000884328475 663068985 /nfs/dbraw/zinc/06/89/85/663068985.db2.gz QTOSNXGZOSFSFW-JCURWCKSSA-N 1 0 377.282 2.557 20 0 GFADRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)c1cc(Br)nn1-c1ncccc1Cl ZINC000884372009 663069746 /nfs/dbraw/zinc/06/97/46/663069746.db2.gz DQHRTGIBISYVKS-RKDXNWHRSA-N 1 0 386.681 2.539 20 0 GFADRO C[C@@H](CNC(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])CC1)c1c(Cl)cccc1Cl ZINC000884602569 663072953 /nfs/dbraw/zinc/07/29/53/663072953.db2.gz ORIMCGKNTYFMKY-AVGNSLFASA-N 1 0 386.323 2.847 20 0 GFADRO [NH3+]CCCCCCNC(=O)C(=O)NCc1ccc(Cl)c(C(F)(F)F)c1 ZINC000884731600 663074065 /nfs/dbraw/zinc/07/40/65/663074065.db2.gz BNRKNYVWAVIXOO-UHFFFAOYSA-N 1 0 379.810 2.610 20 0 GFADRO O=S(=O)(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1c(F)cccc1OC(F)(F)F ZINC000884956736 663079662 /nfs/dbraw/zinc/07/96/62/663079662.db2.gz FGMJVFUQWZHSOR-GHMZBOCLSA-N 1 0 382.379 2.629 20 0 GFADRO Cc1cc(Br)ccc1CS(=O)(=O)N(C)[C@H]1CC[N@@H+](C)C[C@H]1C ZINC000885031578 663083405 /nfs/dbraw/zinc/08/34/05/663083405.db2.gz MFFJNZNCQNZPSO-CJNGLKHVSA-N 1 0 389.359 2.859 20 0 GFADRO O=S(=O)(c1ccns1)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000885202688 663086032 /nfs/dbraw/zinc/08/60/32/663086032.db2.gz FYHABPPYSYUAKX-UHFFFAOYSA-N 1 0 377.535 2.820 20 0 GFADRO O=C(NC[C@@H]1CC[N@@H+]1C1CCOCC1)c1cc(Br)c(F)cc1F ZINC000885883162 663100434 /nfs/dbraw/zinc/10/04/34/663100434.db2.gz PAQSAXAMBSXJCP-NSHDSACASA-N 1 0 389.240 2.710 20 0 GFADRO Cc1ccc(Br)cc1CC(=O)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000885888260 663100476 /nfs/dbraw/zinc/10/04/76/663100476.db2.gz FSMKBAPPHRZKAE-KRWDZBQOSA-N 1 0 381.314 2.670 20 0 GFADRO CO[C@H](C(=O)NC[C@H]1CC[N@@H+]1C1CCOCC1)c1ccccc1Br ZINC000885890347 663100491 /nfs/dbraw/zinc/10/04/91/663100491.db2.gz BLGPXZYYNHJZLF-PBHICJAKSA-N 1 0 397.313 2.506 20 0 GFADRO O=S(=O)(N1CCC(C[NH2+]C/C=C/c2cccc(F)c2)CC1)C(F)(F)F ZINC000885979816 663102311 /nfs/dbraw/zinc/10/23/11/663102311.db2.gz NAUVSEQZAUKCFV-DUXPYHPUSA-N 1 0 380.407 2.990 20 0 GFADRO O=C1NCCC[C@H]1C[NH2+]Cc1cc(Br)c(Br)s1 ZINC000886144648 663103854 /nfs/dbraw/zinc/10/38/54/663103854.db2.gz CTPLDTRKWIRQME-ZETCQYMHSA-N 1 0 382.121 2.889 20 0 GFADRO C[C@@H]1C[C@]2(CC[C@@H](C[NH2+]Cc3cnc4ccc(Br)cn34)O2)CO1 ZINC000886332816 663108485 /nfs/dbraw/zinc/10/84/85/663108485.db2.gz ZFOYNKNYKAGLNV-ISTRZQFTSA-N 1 0 380.286 2.913 20 0 GFADRO COC(=O)c1cc2n(n1)CCC[C@@H]2[NH2+]CCOc1ncc(Cl)cc1Cl ZINC000886551123 663113678 /nfs/dbraw/zinc/11/36/78/663113678.db2.gz BMDFEPGJQNZEBZ-LBPRGKRZSA-N 1 0 385.251 2.875 20 0 GFADRO Cc1csc(C[C@@H]2CCC[N@H+](Cc3nn4c(nc(C)cc4=O)s3)C2)n1 ZINC000886698864 663115758 /nfs/dbraw/zinc/11/57/58/663115758.db2.gz OKYXGWWPLPJSCN-ZDUSSCGKSA-N 1 0 375.523 2.679 20 0 GFADRO COC[C@H]([NH2+][C@H](C)c1ccc(S(=O)(=O)C(F)F)cc1)[C@H]1CCCOC1 ZINC000886787574 663118737 /nfs/dbraw/zinc/11/87/37/663118737.db2.gz YGHNMKNWMQFWTJ-INWMFGNUSA-N 1 0 377.453 2.775 20 0 GFADRO Cc1cc(Cl)cc(C)c1S(=O)(=O)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000886887913 663123464 /nfs/dbraw/zinc/12/34/64/663123464.db2.gz LDHJBSZTHQJHAK-BHYGNILZSA-N 1 0 386.945 2.864 20 0 GFADRO Cc1cc(Cl)cc(C)c1S(=O)(=O)N1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000886886278 663123470 /nfs/dbraw/zinc/12/34/70/663123470.db2.gz BZSSNEXZCXGAJQ-IRXDYDNUSA-N 1 0 386.945 2.864 20 0 GFADRO COC[C@H]([NH2+]C[C@@H](O)COc1ccc(Cl)cc1Cl)[C@H]1CCCOC1 ZINC000886905929 663124302 /nfs/dbraw/zinc/12/43/02/663124302.db2.gz OSJTUNWHILWDIC-BJJXKVORSA-N 1 0 378.296 2.764 20 0 GFADRO COC[C@H]([NH2+]CC(=O)N[C@H](C)c1ccc(Br)cc1)[C@H]1CCCOC1 ZINC000886905987 663124423 /nfs/dbraw/zinc/12/44/23/663124423.db2.gz PWFJKFFYANPBOL-KMFMINBZSA-N 1 0 399.329 2.658 20 0 GFADRO C[C@@]1(C[NH3+])CCN(C(=O)C(=O)Nc2cc(Br)c3ccccc3c2)C1 ZINC000886984049 663127354 /nfs/dbraw/zinc/12/73/54/663127354.db2.gz PRWBXWWWLDDCLX-SFHVURJKSA-N 1 0 390.281 2.738 20 0 GFADRO O=C(NC[C@H]1C[NH2+]CCC1(F)F)C(=O)Nc1cccc(C(F)F)c1Cl ZINC000887035074 663129546 /nfs/dbraw/zinc/12/95/46/663129546.db2.gz FZXIOKDAJAHZAP-MRVPVSSYSA-N 1 0 381.757 2.577 20 0 GFADRO COc1ccc([C@@H]2C[NH2+]CCN2C(=O)c2nc(Br)cs2)cc1 ZINC000887401920 663144294 /nfs/dbraw/zinc/14/42/94/663144294.db2.gz LEZLTHGKLIUWBQ-LBPRGKRZSA-N 1 0 382.283 2.701 20 0 GFADRO Brc1cncc(-c2nc(-c3cn(C[C@H]4CCC[NH2+]4)nn3)cs2)c1 ZINC000887532577 663151207 /nfs/dbraw/zinc/15/12/07/663151207.db2.gz KLFMJEXRLOONNQ-GFCCVEGCSA-N 1 0 391.298 2.978 20 0 GFADRO Brc1cncc(-c2nc(-c3cn([C@H]4CC[NH2+]C4)nn3)cs2)c1 ZINC000887532902 663151281 /nfs/dbraw/zinc/15/12/81/663151281.db2.gz YIKRKVGJOJQHTN-NSHDSACASA-N 1 0 377.271 2.761 20 0 GFADRO CCC1([NH+]2CCC2)CCN(C(=O)Nc2c(Br)c(C)nn2C)CC1 ZINC000888258497 663184817 /nfs/dbraw/zinc/18/48/17/663184817.db2.gz FIWRXTSEZPXVCL-UHFFFAOYSA-N 1 0 384.322 2.973 20 0 GFADRO Cc1cc(Cl)c(NC(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)cc1Br ZINC000888430302 663197619 /nfs/dbraw/zinc/19/76/19/663197619.db2.gz SLJZZZKOOZWDLH-WDEREUQCSA-N 1 0 388.693 2.694 20 0 GFADRO Cc1cc(Cl)c(NC(=O)NC[C@@H]2C[N@@H+](C)CCN2C)cc1Br ZINC000888436462 663198374 /nfs/dbraw/zinc/19/83/74/663198374.db2.gz TYZXLSNVMTZZAV-LLVKDONJSA-N 1 0 389.725 2.778 20 0 GFADRO C[C@@H]1C[C@@H](N(C)C(=O)COCCc2ccc(Br)cc2)CC[N@@H+]1C ZINC000889163524 663233991 /nfs/dbraw/zinc/23/39/91/663233991.db2.gz NCAAYAZKWYINDY-PBHICJAKSA-N 1 0 383.330 2.949 20 0 GFADRO O=C(NCc1ncc(Br)cn1)c1cccc(C[NH+]2CCCC2)c1 ZINC000889719455 663260084 /nfs/dbraw/zinc/26/00/84/663260084.db2.gz AUOHVPBHRJZBCX-UHFFFAOYSA-N 1 0 375.270 2.765 20 0 GFADRO Cc1c(Br)cc(F)cc1C(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000889739719 663261664 /nfs/dbraw/zinc/26/16/64/663261664.db2.gz NMNFVLDXQRRQDZ-HOTGVXAUSA-N 1 0 385.277 2.568 20 0 GFADRO Cc1nc(-c2ccc(C(=O)N3CC[C@@H]4[C@H]3CCC[N@@H+]4CCO)s2)cs1 ZINC000889742632 663261916 /nfs/dbraw/zinc/26/19/16/663261916.db2.gz KEPVWBLAQGUTNF-HUUCEWRRSA-N 1 0 377.535 2.851 20 0 GFADRO O=C(CCc1cc(Br)ccc1F)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000889762839 663264866 /nfs/dbraw/zinc/26/48/66/663264866.db2.gz KXJLHIRTSHBTPZ-IAGOWNOFSA-N 1 0 399.304 2.578 20 0 GFADRO O=C(c1cc2c(cccc2Br)[nH]1)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000889769903 663265146 /nfs/dbraw/zinc/26/51/46/663265146.db2.gz OJFKRJIFBWTZFF-IAGOWNOFSA-N 1 0 392.297 2.602 20 0 GFADRO Cc1cc(CCC(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)ccc1Br ZINC000889770105 663265223 /nfs/dbraw/zinc/26/52/23/663265223.db2.gz XRICKSNHMINZIJ-ZWKOTPCHSA-N 1 0 395.341 2.748 20 0 GFADRO C[C@H](Oc1cccc(Cl)c1Cl)C(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000889775369 663266098 /nfs/dbraw/zinc/26/60/98/663266098.db2.gz MKWFMXQZVPSSQC-NWANDNLSSA-N 1 0 387.307 2.818 20 0 GFADRO O=C(CCOc1cccc(Cl)c1Cl)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000889775235 663266127 /nfs/dbraw/zinc/26/61/27/663266127.db2.gz UUAZGGBFYNWMPP-HUUCEWRRSA-N 1 0 387.307 2.820 20 0 GFADRO CC(C)[NH2+]C1CCN(C(=O)C(=O)Nc2cccc(F)c2Br)CC1 ZINC000890064165 663283122 /nfs/dbraw/zinc/28/31/22/663283122.db2.gz RTRDDCRYKIZIIE-UHFFFAOYSA-N 1 0 386.265 2.516 20 0 GFADRO C[NH+](C)C1(CNC(=O)C(=O)Nc2cc(Br)c3ccccc3c2)CC1 ZINC000890335267 663296203 /nfs/dbraw/zinc/29/62/03/663296203.db2.gz QOISDPJWCRQXTL-UHFFFAOYSA-N 1 0 390.281 2.751 20 0 GFADRO C[NH+](C)Cc1ccc(C(=O)N[C@](C)(CO)c2cccc(Br)c2)cn1 ZINC000890630431 663308261 /nfs/dbraw/zinc/30/82/61/663308261.db2.gz NKELCYINLYLLBI-GOSISDBHSA-N 1 0 392.297 2.543 20 0 GFADRO CC[NH+]1CCC(NC(=O)c2cc(Cl)nc(N(C)C)c2)(C(F)(F)F)CC1 ZINC000891208270 663329844 /nfs/dbraw/zinc/32/98/44/663329844.db2.gz SZKGGGGNUGZRDQ-UHFFFAOYSA-N 1 0 378.826 2.948 20 0 GFADRO C[C@H](Cc1ccc(Br)cc1)NC(=O)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000891378392 663337819 /nfs/dbraw/zinc/33/78/19/663337819.db2.gz QQHIKWJTEYYCMA-YPMHNXCESA-N 1 0 390.272 2.924 20 0 GFADRO COc1cc(CNC(=O)N2CCC[C@@H]3[NH2+]CC[C@@H]32)cc(Br)c1OC ZINC000891466499 663340442 /nfs/dbraw/zinc/34/04/42/663340442.db2.gz XJACSQQOHSXXIB-KBPBESRZSA-N 1 0 398.301 2.502 20 0 GFADRO COc1cc(Br)c(CNC(=O)N[C@@]23CCC[C@@H]2[NH2+]CC3)cc1OC ZINC000891494098 663341279 /nfs/dbraw/zinc/34/12/79/663341279.db2.gz GZESXBCQJARYDL-DOTOQJQBSA-N 1 0 398.301 2.550 20 0 GFADRO CCC1([NH3+])CCN(C(=O)N[C@@H]2CCN(c3ccc(Br)cc3)C2)CC1 ZINC000891506438 663341905 /nfs/dbraw/zinc/34/19/05/663341905.db2.gz GAIGFTZSZXQTKA-OAHLLOKOSA-N 1 0 395.345 2.941 20 0 GFADRO COCCC1(NC(=O)NCc2ccc(Br)cc2C)CC[NH2+]CC1 ZINC000891537413 663343034 /nfs/dbraw/zinc/34/30/34/663343034.db2.gz BYIFYVOALADGFA-UHFFFAOYSA-N 1 0 384.318 2.715 20 0 GFADRO CC(C)OCCCNC(=O)C1CC[NH+](C[C@H]2C[C@]2(C)Br)CC1 ZINC000891614289 663345526 /nfs/dbraw/zinc/34/55/26/663345526.db2.gz LZOVLAMHXHRTGP-WBVHZDCISA-N 1 0 375.351 2.803 20 0 GFADRO C[C@H](CNC(=O)NCc1cc(N)cc[nH+]1)Oc1ccccc1Br ZINC000891647345 663346184 /nfs/dbraw/zinc/34/61/84/663346184.db2.gz TWRHQRXIPAIYMM-LLVKDONJSA-N 1 0 379.258 2.693 20 0 GFADRO COc1ccc([C@H](C)NC(=O)N2CC[C@@H]3C[N@H+](C)C[C@H]32)cc1Br ZINC000891640060 663346293 /nfs/dbraw/zinc/34/62/93/663346293.db2.gz YRADPSKGBOKZRV-NJZAAPMLSA-N 1 0 382.302 2.864 20 0 GFADRO [NH3+][C@H]1C[C@H](CNC(=O)NCCCOc2ncc(C(F)(F)F)cc2Cl)C1 ZINC000891719083 663348477 /nfs/dbraw/zinc/34/84/77/663348477.db2.gz DLQOROBRIRQVSH-HOMQSWHASA-N 1 0 380.798 2.559 20 0 GFADRO CCOc1ccc(Cl)cc1CCNC(=O)NC[C@H]1C[NH2+]CCC1(F)F ZINC000891716165 663348507 /nfs/dbraw/zinc/34/85/07/663348507.db2.gz KQBKWLLZRZPPQE-CYBMUJFWSA-N 1 0 375.847 2.825 20 0 GFADRO CC(=O)Nc1cc(Br)ccc1CN1CCC[C@H]1CN1CCOCC1 ZINC000891747869 663349202 /nfs/dbraw/zinc/34/92/02/663349202.db2.gz MMXKAZISFVLZIB-KRWDZBQOSA-N 1 0 396.329 2.704 20 0 GFADRO C[C@]12C[NH2+]C[C@H]1CN(C(=O)N[C@@H]1CCOc3c(Br)cccc31)C2 ZINC000891883085 663354265 /nfs/dbraw/zinc/35/42/65/663354265.db2.gz ZFANMUWSOTUNHE-FABXCBLPSA-N 1 0 380.286 2.524 20 0 GFADRO [NH3+]C1CCC(NC(=O)NCc2ccn(-c3ccc(Br)cc3)n2)CC1 ZINC000892024996 663359563 /nfs/dbraw/zinc/35/95/63/663359563.db2.gz URNNKVHAPOZHOJ-UHFFFAOYSA-N 1 0 392.301 2.704 20 0 GFADRO C[C@](CO)(NC(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1cccc(Br)c1 ZINC000892069351 663360892 /nfs/dbraw/zinc/36/08/92/663360892.db2.gz ITDXDLCJEAKPQT-XYJFISCASA-N 1 0 396.329 2.583 20 0 GFADRO C[C@H](C[C@H](C)[NH3+])NC(=O)NCc1ccn(-c2ccc(Br)cc2)n1 ZINC000892198265 663365420 /nfs/dbraw/zinc/36/54/20/663365420.db2.gz JQNQCQKHKCRLGP-NWDGAFQWSA-N 1 0 380.290 2.560 20 0 GFADRO C[C@H](C[C@H](C)[NH3+])NC(=O)N(C)C[C@H](O)COc1cc(Cl)cc(Cl)c1 ZINC000892200737 663365825 /nfs/dbraw/zinc/36/58/25/663365825.db2.gz RFGVKNDVOZUFJA-WDMOLILDSA-N 1 0 378.300 2.500 20 0 GFADRO O=C(N[C@H]1[C@@H]2Cc3cc(Br)ccc3[C@@H]21)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000892427831 663373421 /nfs/dbraw/zinc/37/34/21/663373421.db2.gz QQXZFZWIKNBTKY-VUHPKUFZSA-N 1 0 390.325 2.872 20 0 GFADRO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCN(C(=O)NCCSCCC(F)(F)F)C2)C1 ZINC000892541606 663376693 /nfs/dbraw/zinc/37/66/93/663376693.db2.gz CZANOVOAEAANSZ-BFHYXJOUSA-N 1 0 383.480 2.600 20 0 GFADRO O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CCOc2cccc(Br)c2C1 ZINC000892586134 663377959 /nfs/dbraw/zinc/37/79/59/663377959.db2.gz DRKANSXJGZXZEO-BTTYYORXSA-N 1 0 394.313 2.884 20 0 GFADRO O=C(NCc1ccc(Br)cn1)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000892615620 663378674 /nfs/dbraw/zinc/37/86/74/663378674.db2.gz FDKFOSVOMNFDOX-ZIAGYGMSSA-N 1 0 381.318 2.765 20 0 GFADRO O=C(NCc1ccc(Br)cn1)N[C@H]1CCCCC12CC[NH2+]CC2 ZINC000892617267 663378980 /nfs/dbraw/zinc/37/89/80/663378980.db2.gz VJRSODHAKJMMJU-HNNXBMFYSA-N 1 0 381.318 2.956 20 0 GFADRO COc1ccc(CNC(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3C)cc1Br ZINC000892650423 663379802 /nfs/dbraw/zinc/37/98/02/663379802.db2.gz IEJPSITUACFADX-LSDHHAIUSA-N 1 0 382.302 2.836 20 0 GFADRO Cc1ccc(CNC(=O)N2CCC(OCCC[NH3+])CC2)cc1Br ZINC000892693996 663381863 /nfs/dbraw/zinc/38/18/63/663381863.db2.gz AWODUBQVKRBTSC-UHFFFAOYSA-N 1 0 384.318 2.797 20 0 GFADRO C[C@@]1(NC(=O)c2ccc3cncc(Br)c3n2)C[NH+]2CCC1CC2 ZINC000892764010 663384203 /nfs/dbraw/zinc/38/42/03/663384203.db2.gz QLVIJPSXUIVYRR-QGZVFWFLSA-N 1 0 375.270 2.606 20 0 GFADRO Cc1csc(C(=O)N[C@@]2(C)C[NH+]3CCC2CC3)c1I ZINC000892775396 663384385 /nfs/dbraw/zinc/38/43/85/663384385.db2.gz ZYELUJFAWOEKCS-AWEZNQCLSA-N 1 0 390.290 2.875 20 0 GFADRO CN(Cc1ccc(Br)o1)C(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000892814445 663385606 /nfs/dbraw/zinc/38/56/06/663385606.db2.gz PEMVWLOITIGWKA-AWEZNQCLSA-N 1 0 378.270 2.898 20 0 GFADRO Oc1cc(Br)cnc1C[NH2+][C@@H]1CCN(c2ncccc2Cl)C1 ZINC000893139736 663398235 /nfs/dbraw/zinc/39/82/35/663398235.db2.gz OGJXXCYZUOJJNU-LLVKDONJSA-N 1 0 383.677 2.967 20 0 GFADRO COc1nccc(C[NH2+]C[C@@H](O)COc2ccccc2Br)c1F ZINC000893172481 663400369 /nfs/dbraw/zinc/40/03/69/663400369.db2.gz RJJYIEQASVDPMG-GFCCVEGCSA-N 1 0 385.233 2.521 20 0 GFADRO CO[C@H]1C[N@H+](C)[C@](C)(COC(=O)Cc2sc(CC(F)(F)F)nc2C)C1 ZINC000893263299 663404596 /nfs/dbraw/zinc/40/45/96/663404596.db2.gz SDGLDMZQCGFPIF-ABAIWWIYSA-N 1 0 380.432 2.751 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCN(c2ccccc2C(F)(F)F)C1)[C@H]1CCS(=O)(=O)C1 ZINC000893684472 663420038 /nfs/dbraw/zinc/42/00/38/663420038.db2.gz BGFFWTDZNBJVRP-MELADBBJSA-N 1 0 376.444 2.697 20 0 GFADRO CS(=O)(=O)N1CC(C[NH2+][C@H]2CCCC[C@@H]2c2cc(F)c(F)c(F)c2)C1 ZINC000893717467 663422172 /nfs/dbraw/zinc/42/21/72/663422172.db2.gz RCDUDNYKCFQNRI-CJNGLKHVSA-N 1 0 376.444 2.611 20 0 GFADRO CCN(C[C@@H]1CC[N@H+](Cc2c3c(nn2C)CCSC3)C1)CC(F)(F)F ZINC000894087096 663441939 /nfs/dbraw/zinc/44/19/39/663441939.db2.gz VESFSKRJMGXOBM-ZDUSSCGKSA-N 1 0 376.492 2.916 20 0 GFADRO Cn1cc(C[NH2+]CCc2c[nH]c3ccc(F)cc23)c(I)n1 ZINC000894257682 663451343 /nfs/dbraw/zinc/45/13/43/663451343.db2.gz VUXPOKGPWAAOPT-UHFFFAOYSA-N 1 0 398.223 2.977 20 0 GFADRO CC(C)[C@@H]1OCCC[C@@H]1C[NH2+]Cc1c(I)cnn1C ZINC000894316669 663454033 /nfs/dbraw/zinc/45/40/33/663454033.db2.gz NIUHPRGMWAGHML-RISCZKNCSA-N 1 0 377.270 2.566 20 0 GFADRO C[C@@H]1C[C@@H](NCc2nc(Br)nn2C)CC[N@@H+]1Cc1ccccc1 ZINC000894324954 663454733 /nfs/dbraw/zinc/45/47/33/663454733.db2.gz KWXYQYCJUCAHFG-HIFRSBDPSA-N 1 0 378.318 2.720 20 0 GFADRO Cn1cc(C[NH2+]CC2([C@H](O)c3ccccc3)CC2)c(I)n1 ZINC000894355197 663457095 /nfs/dbraw/zinc/45/70/95/663457095.db2.gz TXBCBJILXUUGIK-CQSZACIVSA-N 1 0 397.260 2.628 20 0 GFADRO Cc1nn(C)c(C)c1CCC[NH2+]Cc1sc(N2CCOCC2)nc1Cl ZINC000894371399 663458812 /nfs/dbraw/zinc/45/88/12/663458812.db2.gz AKDRMWFZFNPFIX-UHFFFAOYSA-N 1 0 383.949 2.706 20 0 GFADRO Cn1ncc(I)c1CNc1ccccc1CC[NH+](C)C ZINC000894535504 663467643 /nfs/dbraw/zinc/46/76/43/663467643.db2.gz UWEYBPAVEJWBPN-UHFFFAOYSA-N 1 0 384.265 2.741 20 0 GFADRO COc1ccc(Br)cc1C[C@@H](CO)C[NH2+]Cc1nnc(C)s1 ZINC000894768924 663480658 /nfs/dbraw/zinc/48/06/58/663480658.db2.gz PAWRDLXFEPDEGZ-LLVKDONJSA-N 1 0 386.315 2.558 20 0 GFADRO COc1ccc(Br)cc1C[C@H](CO)C[NH2+]Cc1c(C)ccnc1N ZINC000894927855 663488925 /nfs/dbraw/zinc/48/89/25/663488925.db2.gz KYNVSNBUIRJEMH-ZDUSSCGKSA-N 1 0 394.313 2.684 20 0 GFADRO CC(C)(C)OC(=O)NCC1(O)CC[NH+](C[C@@H]2C[C@]2(C)Br)CC1 ZINC000894957240 663491599 /nfs/dbraw/zinc/49/15/99/663491599.db2.gz DWTZTNOHJNHAFF-WFASDCNBSA-N 1 0 377.323 2.512 20 0 GFADRO CC(=O)Nc1cc(Br)ccc1C[NH2+][C@H]1CCN(CC(F)F)C1 ZINC000894966366 663492477 /nfs/dbraw/zinc/49/24/77/663492477.db2.gz MDKJHKZDMBVBAM-ZDUSSCGKSA-N 1 0 376.245 2.837 20 0 GFADRO O[C@@]1(CC[NH2+]Cc2cc(Br)ccc2Br)CCOC1 ZINC000895150817 663501132 /nfs/dbraw/zinc/50/11/32/663501132.db2.gz CVYRITLVBIFUOU-ZDUSSCGKSA-N 1 0 379.092 2.843 20 0 GFADRO C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)c1nc(F)ccc1Br ZINC000895261328 663505534 /nfs/dbraw/zinc/50/55/34/663505534.db2.gz GPJKOGFZWRPNEF-NSHDSACASA-N 1 0 379.233 2.729 20 0 GFADRO CC1(C)CNC(=O)[C@@H]1[NH2+]Cc1cc(Br)c(Br)s1 ZINC000895323676 663508266 /nfs/dbraw/zinc/50/82/66/663508266.db2.gz FZGIYHFKIQGUSY-QMMMGPOBSA-N 1 0 382.121 2.887 20 0 GFADRO C[C@H](c1ccccc1)[C@H](O)C[NH2+]Cc1sc(N2CCOCC2)nc1Cl ZINC000895340406 663509165 /nfs/dbraw/zinc/50/91/65/663509165.db2.gz RCFXXQCMCITQFG-UKRRQHHQSA-N 1 0 381.929 2.887 20 0 GFADRO C[NH+](C)C1CCC(NC(=O)N[C@](C)(CO)c2cccc(Br)c2)CC1 ZINC000895420127 663513273 /nfs/dbraw/zinc/51/32/73/663513273.db2.gz RHYZEOSWCLOLSF-LEOMRAHMSA-N 1 0 398.345 2.829 20 0 GFADRO Cn1nc(Br)nc1CN1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC000895472991 663516350 /nfs/dbraw/zinc/51/63/50/663516350.db2.gz LTPWBEWKEQTQPC-MAUKXSAKSA-N 1 0 390.329 2.532 20 0 GFADRO C[C@]1(Br)C[C@H]1C[NH+]1CCC(c2nccc(N3CCOCC3)n2)CC1 ZINC000895491924 663517182 /nfs/dbraw/zinc/51/71/82/663517182.db2.gz OJEUGFWQFLIOKL-YJBOKZPZSA-N 1 0 395.345 2.666 20 0 GFADRO OCCOC1(C[NH2+]Cc2ncc(Br)cc2O)CCC(F)(F)CC1 ZINC000895582624 663519577 /nfs/dbraw/zinc/51/95/77/663519577.db2.gz UZNNUDDLEZOJSU-UHFFFAOYSA-N 1 0 395.244 2.596 20 0 GFADRO Cc1ccccc1C[N@H+]1CCCN(C(=O)c2cn(C)nc2Br)CC1 ZINC000895706165 663523955 /nfs/dbraw/zinc/52/39/55/663523955.db2.gz DJLUWRJQNUXYLA-UHFFFAOYSA-N 1 0 391.313 2.839 20 0 GFADRO CCOC(=O)[C@@H]1CC[C@@H]([NH2+]Cc2nc(CSC)n[nH]2)C[C@@H]1C(F)(F)F ZINC000896053068 663539040 /nfs/dbraw/zinc/53/90/40/663539040.db2.gz AJUCUUCHBYUCGC-MXWKQRLJSA-N 1 0 380.436 2.668 20 0 GFADRO Cn1ccc(C2CC[NH+](Cc3cnn4cc(Br)cnc34)CC2)n1 ZINC000896495842 663559465 /nfs/dbraw/zinc/55/94/65/663559465.db2.gz UVBBDSGCWFOGGV-UHFFFAOYSA-N 1 0 375.274 2.605 20 0 GFADRO Cc1cc2c(o1)c(C(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCN1C)ccc2Br ZINC000896545457 663563184 /nfs/dbraw/zinc/56/31/84/663563184.db2.gz MKPJSYMJRYTMCF-LRDDRELGSA-N 1 0 394.313 2.868 20 0 GFADRO C[C@H](NC(=O)C1(c2ccc(Br)cc2)CCC1)[C@H]1C[N@H+](C)CCN1C ZINC000896556954 663563425 /nfs/dbraw/zinc/56/34/25/663563425.db2.gz RXBYLOXWFGGFOB-WMLDXEAASA-N 1 0 394.357 2.621 20 0 GFADRO C[C@H](NC(=O)c1csc(-c2ccc(Cl)s2)n1)[C@H]1C[N@H+](C)CCN1C ZINC000896570493 663565505 /nfs/dbraw/zinc/56/55/05/663565505.db2.gz ZLSGUAPUEDXNJG-CMPLNLGQSA-N 1 0 384.958 2.889 20 0 GFADRO C[C@@H](NC(=O)c1csc(-c2cccc(Cl)c2)n1)[C@@H]1C[N@H+](C)CCN1C ZINC000896576483 663565818 /nfs/dbraw/zinc/56/58/18/663565818.db2.gz HTSFHMZNXRIBMD-WBMJQRKESA-N 1 0 378.929 2.828 20 0 GFADRO C[C@H](NC(=O)CCCOc1ccc(Cl)cc1Cl)[C@@H]1C[N@H+](C)CCN1C ZINC000896579664 663566042 /nfs/dbraw/zinc/56/60/42/663566042.db2.gz IDEQEORBCVMUQQ-BBRMVZONSA-N 1 0 388.339 2.903 20 0 GFADRO O=C(/C=C/C=C(Cl)Cl)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000896623400 663568773 /nfs/dbraw/zinc/56/87/73/663568773.db2.gz DNRVRDFIVAHLCG-ZZXKWVIFSA-N 1 0 388.339 2.702 20 0 GFADRO CO[C@]1(C[NH2+]CCCCc2cccc(C(F)(F)F)c2)CCS(=O)(=O)C1 ZINC000896681523 663571460 /nfs/dbraw/zinc/57/14/60/663571460.db2.gz DVHMKTUIUGQPMG-INIZCTEOSA-N 1 0 379.444 2.821 20 0 GFADRO CC[C@H](NC(=O)C1C[NH+](C2CCOCC2)C1)c1nc(C(F)(F)F)cs1 ZINC000896778783 663575508 /nfs/dbraw/zinc/57/55/08/663575508.db2.gz QMUSCZBNJCLQLH-LBPRGKRZSA-N 1 0 377.432 2.840 20 0 GFADRO FC(F)(F)CN1CCC[C@H]1C[NH2+]Cc1cnn2cc(Br)cnc12 ZINC000896838970 663578857 /nfs/dbraw/zinc/57/88/57/663578857.db2.gz IBQATAZYSGKPLJ-LBPRGKRZSA-N 1 0 392.223 2.608 20 0 GFADRO CCOc1cc(C[NH2+]CC(C)(C)CS(C)(=O)=O)cc(Br)c1O ZINC000896870957 663580188 /nfs/dbraw/zinc/58/01/88/663580188.db2.gz UQDMKBHAMNIMGS-UHFFFAOYSA-N 1 0 394.331 2.714 20 0 GFADRO CCOc1cc(CNC[C@@H](C[NH+](C)C)OCC)cc(Br)c1O ZINC000896879992 663580349 /nfs/dbraw/zinc/58/03/49/663580349.db2.gz KQGPEWKOSMZIGT-ZDUSSCGKSA-N 1 0 375.307 2.610 20 0 GFADRO OCc1cc(N2CCn3c(c(Br)nc3C(F)(F)F)C2)cc[nH+]1 ZINC000897275378 663598110 /nfs/dbraw/zinc/59/81/10/663598110.db2.gz LUDPFISDLRKQNS-UHFFFAOYSA-N 1 0 377.164 2.572 20 0 GFADRO Cc1csc(C[C@@H]2CC[N@H+](Cc3ccc(S(N)(=O)=O)c(Cl)c3)C2)n1 ZINC000897301937 663599706 /nfs/dbraw/zinc/59/97/06/663599706.db2.gz XHYMIGXWDNNNPP-ZDUSSCGKSA-N 1 0 385.942 2.817 20 0 GFADRO C[C@]1(Br)C[C@H]1C[NH+]1CCC(c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000897572155 663611990 /nfs/dbraw/zinc/61/19/90/663611990.db2.gz LUVPFALZQSXDSR-HOCLYGCPSA-N 1 0 387.343 2.687 20 0 GFADRO O=C(Nc1c(O)cc(Br)cc1Cl)C1C[NH+](C2CCOCC2)C1 ZINC000897743670 663618243 /nfs/dbraw/zinc/61/82/43/663618243.db2.gz FDRSGEDKRJSZLE-UHFFFAOYSA-N 1 0 389.677 2.857 20 0 GFADRO COCCO[C@]12CCC[C@@]1([NH2+]Cc1cc(C)c(Br)cn1)CCO2 ZINC000897998498 663629566 /nfs/dbraw/zinc/62/95/66/663629566.db2.gz UCGPOVWWYQYFJF-IAGOWNOFSA-N 1 0 385.302 2.944 20 0 GFADRO C[NH+](C)CCN(C(=O)c1cc2ccc(Br)cc2c(=O)o1)C1CC1 ZINC000898017071 663630381 /nfs/dbraw/zinc/63/03/81/663630381.db2.gz HWOGAUREDHGDMP-UHFFFAOYSA-N 1 0 379.254 2.722 20 0 GFADRO COc1nn(C)cc1C[NH2+][C@@H](C)CC(=O)Nc1ccc(Br)cc1 ZINC000898029001 663630665 /nfs/dbraw/zinc/63/06/65/663630665.db2.gz CFCKDVVXVRNJCK-NSHDSACASA-N 1 0 381.274 2.698 20 0 GFADRO O=C(c1cccc(Br)c1F)N1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000898113702 663634224 /nfs/dbraw/zinc/63/42/24/663634224.db2.gz JSXWREQMXLRTPA-UHFFFAOYSA-N 1 0 385.277 2.555 20 0 GFADRO O=C(COc1cc(Cl)ccc1Cl)N1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000898123568 663634801 /nfs/dbraw/zinc/63/48/01/663634801.db2.gz ZYGHKHRJQHKTIC-UHFFFAOYSA-N 1 0 387.307 2.725 20 0 GFADRO O=c1[nH]ncc(N2CC[C@H]([NH2+]Cc3c[nH]nc3-c3ccsc3)C2)c1Cl ZINC000898367123 663644897 /nfs/dbraw/zinc/64/48/97/663644897.db2.gz MFBVXMPRODWTJV-LBPRGKRZSA-N 1 0 376.873 2.656 20 0 GFADRO O=c1[nH]ncc(N2CC[C@H]([NH2+]Cc3cc4cc(Cl)cnc4o3)C2)c1Cl ZINC000898369295 663645010 /nfs/dbraw/zinc/64/50/10/663645010.db2.gz UWDSEGGJBVDQKM-NSHDSACASA-N 1 0 380.235 2.999 20 0 GFADRO O=C(NCc1ncc(Br)cn1)N1CC[NH+](CC2CCCCC2)CC1 ZINC000898401461 663648932 /nfs/dbraw/zinc/64/89/32/663648932.db2.gz RIDGGFDWUXRNAD-UHFFFAOYSA-N 1 0 396.333 2.647 20 0 GFADRO C[C@H]([NH2+][C@@H](CO)c1ccccc1I)[C@H]1CCCOC1 ZINC000898512592 663653996 /nfs/dbraw/zinc/65/39/96/663653996.db2.gz LFWULWGWWBSJGA-HUBLWGQQSA-N 1 0 375.250 2.729 20 0 GFADRO Cn1ccc(-c2nc(C[NH2+][C@@H]3CCc4ncc(Br)n4C3)cs2)n1 ZINC000898717341 663659928 /nfs/dbraw/zinc/65/99/28/663659928.db2.gz NGYAFOGKTNHLHM-SNVBAGLBSA-N 1 0 393.314 2.607 20 0 GFADRO FC(F)(F)CN1CCC([NH2+][C@H]2CCc3ncc(Br)n3C2)CC1 ZINC000898726057 663661650 /nfs/dbraw/zinc/66/16/50/663661650.db2.gz WSHXTJCCGYAQHP-NSHDSACASA-N 1 0 381.240 2.577 20 0 GFADRO COC(=O)c1sc2c(c1Br)CN(C(=O)[C@@]13CC[N@H+](C1)CCC3)C2 ZINC000898991423 663672185 /nfs/dbraw/zinc/67/21/85/663672185.db2.gz YSOCFRLHHAZQOL-INIZCTEOSA-N 1 0 399.310 2.625 20 0 GFADRO Cc1cc(C(=O)N2CCCN(c3cc[nH+]cc3)CC2)cnc1Br ZINC000899174853 663678627 /nfs/dbraw/zinc/67/86/27/663678627.db2.gz MXZAWBBXRWEISC-UHFFFAOYSA-N 1 0 375.270 2.900 20 0 GFADRO CCC1([NH+]2CCC2)CCN(C(=O)c2nccn3c(Br)cnc23)CC1 ZINC000899558394 663693739 /nfs/dbraw/zinc/69/37/39/663693739.db2.gz JAUYAJMECFTWCM-UHFFFAOYSA-N 1 0 392.301 2.582 20 0 GFADRO [NH3+][C@H](c1cn([C@@H]2CCOc3ccc(Br)cc32)nn1)[C@@H]1CCCO1 ZINC000899739332 663699814 /nfs/dbraw/zinc/69/98/14/663699814.db2.gz JFQYIZFYZJBHKW-VNQPRFMTSA-N 1 0 379.258 2.591 20 0 GFADRO C[N@H+](CC(=O)Nc1cc(Br)ccc1N1CCOCC1)C1CCC1 ZINC000899977850 663705555 /nfs/dbraw/zinc/70/55/55/663705555.db2.gz UJHSMCHQCKPIET-UHFFFAOYSA-N 1 0 382.302 2.709 20 0 GFADRO COc1ccc([C@H](C)NC(=O)c2ccnn2CC[NH+](C)C)cc1Br ZINC000900012100 663706478 /nfs/dbraw/zinc/70/64/78/663706478.db2.gz ABRWKOMFUCPEBC-LBPRGKRZSA-N 1 0 395.301 2.707 20 0 GFADRO COc1c(Br)cc(Cl)cc1NC(=O)C[C@]1(O)CCC[N@H+](C)C1 ZINC000900061030 663707293 /nfs/dbraw/zinc/70/72/93/663707293.db2.gz OCSRDHIPSWYWSY-OAHLLOKOSA-N 1 0 391.693 2.896 20 0 GFADRO CC[NH+](CC)CCC[C@H](C)NC(=O)c1cc2ncc(Br)cn2n1 ZINC000900305549 663712104 /nfs/dbraw/zinc/71/21/04/663712104.db2.gz PABQJIYNPFWCPK-LBPRGKRZSA-N 1 0 382.306 2.732 20 0 GFADRO O=C(N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1nc(Br)cs1 ZINC000900483037 663715332 /nfs/dbraw/zinc/71/53/32/663715332.db2.gz BXCPVGMUTTUWBX-BZNIZROVSA-N 1 0 394.294 2.891 20 0 GFADRO C[N@@H+]1CCCC[C@H]1CCC(=O)NC1(c2ncc(Br)cn2)CCC1 ZINC000900730362 663720412 /nfs/dbraw/zinc/72/04/12/663720412.db2.gz ZFJJPGQNHKEQPS-AWEZNQCLSA-N 1 0 381.318 2.999 20 0 GFADRO CC(C)[NH+]1CCN(CCC(=O)NC[C@H](O)c2ccc(Cl)cc2Cl)CC1 ZINC000901072608 663730022 /nfs/dbraw/zinc/73/00/22/663730022.db2.gz TWPDKEAFKPPMCD-KRWDZBQOSA-N 1 0 388.339 2.559 20 0 GFADRO COC(=O)[C@@H](NC[C@@H]1CC[N@@H+]1C1CCOCC1)c1ccccc1Br ZINC000901623943 663739987 /nfs/dbraw/zinc/73/99/87/663739987.db2.gz LRFQEMSEBIPKJH-YOEHRIQHSA-N 1 0 397.313 2.506 20 0 GFADRO CCn1cnc(C[NH2+]CCCNC(=O)c2cc(OC)ccc2Br)c1 ZINC000902221776 663757244 /nfs/dbraw/zinc/75/72/44/663757244.db2.gz HNVTUHFOOVXYKF-UHFFFAOYSA-N 1 0 395.301 2.584 20 0 GFADRO CC(C)(O)c1ccc(C[NH2+][C@H]2Cc3cc(Br)cnc3NC2=O)cc1 ZINC000902693526 663766271 /nfs/dbraw/zinc/76/62/71/663766271.db2.gz HHCDXKHVAHDZIZ-HNNXBMFYSA-N 1 0 390.281 2.725 20 0 GFADRO C[C@H]([NH2+][C@@H](C)c1cccc(S(=O)(=O)C(F)(F)F)c1)C(=O)NC(C)(C)C ZINC000903083603 663772828 /nfs/dbraw/zinc/77/28/28/663772828.db2.gz KAOVXTRLVOGJPC-QWRGUYRKSA-N 1 0 380.432 2.934 20 0 GFADRO C[C@H]([NH2+]CCN(C)S(=O)(=O)c1cccs1)c1cnn(CC2CCC2)c1 ZINC000903127338 663775105 /nfs/dbraw/zinc/77/51/05/663775105.db2.gz XYDSLNDSZPDJGP-AWEZNQCLSA-N 1 0 382.555 2.716 20 0 GFADRO O=C(NCC[NH2+][C@@H](c1ccccn1)C1CC1)c1ccc(Br)cn1 ZINC000903200489 663778176 /nfs/dbraw/zinc/77/81/76/663778176.db2.gz SIRLKHSQBFHAMJ-MRXNPFEDSA-N 1 0 375.270 2.710 20 0 GFADRO C[C@@H](Cc1c(Cl)cccc1Cl)[NH2+]CCS(=O)(=O)N=S(C)(C)=O ZINC000903229523 663779391 /nfs/dbraw/zinc/77/93/91/663779391.db2.gz IIABRAKVSFMISS-JTQLQIEISA-N 1 0 387.354 2.571 20 0 GFADRO CC[C@H](CSc1ccc(Cl)cc1)[NH2+]CCS(=O)(=O)N=S(C)(C)=O ZINC000903229573 663779550 /nfs/dbraw/zinc/77/95/50/663779550.db2.gz JOITUUMABWNHIQ-CYBMUJFWSA-N 1 0 399.003 2.858 20 0 GFADRO CS(C)(=O)=NS(=O)(=O)CC[NH2+][C@H]1CCCc2c3ccccc3sc21 ZINC000903229906 663779580 /nfs/dbraw/zinc/77/95/80/663779580.db2.gz RMHKOTGHGYSMDQ-AWEZNQCLSA-N 1 0 386.564 2.926 20 0 GFADRO C[C@H]([NH2+]C[C@@H]1CCCC[C@H]1NS(C)(=O)=O)c1cncc(Br)c1 ZINC000903233599 663780127 /nfs/dbraw/zinc/78/01/27/663780127.db2.gz JCFYQHHJZREXKU-SLEUVZQESA-N 1 0 390.347 2.603 20 0 GFADRO CC[C@@](O)(CCC(F)(F)F)C[NH2+][C@@H](C)c1ccc(S(=O)(=O)NC)cc1 ZINC000903257859 663780627 /nfs/dbraw/zinc/78/06/27/663780627.db2.gz YZPCGZHQYZFCLT-SWLSCSKDSA-N 1 0 382.448 2.729 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCCN2CCSC[C@H]12)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000903270275 663780842 /nfs/dbraw/zinc/78/08/42/663780842.db2.gz CKTSTJCOFXLYFJ-APHBMKBZSA-N 1 0 390.521 2.913 20 0 GFADRO C[C@H]([NH2+]Cc1cnn(CCF)c1)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000903274584 663780857 /nfs/dbraw/zinc/78/08/57/663780857.db2.gz OLWIAFNZWMGNQQ-NSHDSACASA-N 1 0 379.379 2.997 20 0 GFADRO CO[C@]1(C[NH2+][C@@H](C)c2cc(Cl)ccc2OC(F)F)CCS(=O)(=O)C1 ZINC000903368473 663783167 /nfs/dbraw/zinc/78/31/67/663783167.db2.gz NRYYJSSAUHGJEK-BONVTDFDSA-N 1 0 383.844 2.796 20 0 GFADRO CO[C@]1(C[NH2+][C@H](C)c2cc(Cl)ccc2OC(F)F)CCS(=O)(=O)C1 ZINC000903368472 663783245 /nfs/dbraw/zinc/78/32/45/663783245.db2.gz NRYYJSSAUHGJEK-BMIGLBTASA-N 1 0 383.844 2.796 20 0 GFADRO COc1ccc([C@@H](C)[NH2+][C@@H]2CCN(c3cc(=O)[nH]cn3)C2)cc1Br ZINC000903398089 663783682 /nfs/dbraw/zinc/78/36/82/663783682.db2.gz QSSGZCKRNRYRKJ-DGCLKSJQSA-N 1 0 393.285 2.883 20 0 GFADRO COC(=O)C1CC2(C1)C[C@@H]([NH2+][C@@H](C)c1csc(Cl)c1)CCS2(=O)=O ZINC000903451347 663785032 /nfs/dbraw/zinc/78/50/32/663785032.db2.gz FYPXBLJBBLADTA-LIVMXXEYSA-N 1 0 391.942 2.951 20 0 GFADRO COC(=O)C1CC2(C1)C[C@@H]([NH2+][C@H](C)c1ccc(Cl)s1)CCS2(=O)=O ZINC000903451872 663785035 /nfs/dbraw/zinc/78/50/35/663785035.db2.gz IRZOUYIURIQDQB-ZWRZFFQRSA-N 1 0 391.942 2.951 20 0 GFADRO Cc1nc(CN2C[C@H]3CC[C@@H](C2)N3C2CC[NH2+]CC2)sc1Br ZINC000903506034 663785970 /nfs/dbraw/zinc/78/59/70/663785970.db2.gz MVQZEDYURCMROW-OKILXGFUSA-N 1 0 385.375 2.615 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2S(=O)(=O)c2cc3ccccc3s2)C1 ZINC000903507689 663785982 /nfs/dbraw/zinc/78/59/82/663785982.db2.gz IMDDFCLDUSEZFS-PMPSAXMXSA-N 1 0 380.535 2.951 20 0 GFADRO O=S(=O)(c1cc2ccccc2s1)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000903514483 663786399 /nfs/dbraw/zinc/78/63/99/663786399.db2.gz JAHVGKIKIAIGQJ-MRXNPFEDSA-N 1 0 380.535 2.681 20 0 GFADRO C[C@]1(CS(=O)(=O)N2CCC(C[NH3+])(c3ccccc3)CC2)CC1(Cl)Cl ZINC000903530444 663787433 /nfs/dbraw/zinc/78/74/33/663787433.db2.gz DKTZIAPGOAHHFM-OAHLLOKOSA-N 1 0 391.364 2.893 20 0 GFADRO [NH3+][C@H]1CN(CC(=O)Nc2ccc(Br)cc2)CC[C@@H]1C(F)(F)F ZINC000903535272 663787604 /nfs/dbraw/zinc/78/76/04/663787604.db2.gz WYUZHNNXOFJUKM-RYUDHWBXSA-N 1 0 380.208 2.599 20 0 GFADRO O=S(=O)(Cc1cc(Cl)cc(Cl)c1)N[C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903544623 663788026 /nfs/dbraw/zinc/78/80/26/663788026.db2.gz BXEXCDHJJRQMAF-HNNXBMFYSA-N 1 0 393.336 2.572 20 0 GFADRO Cc1cc(Br)c(S(=O)(=O)NC2(C3CC[NH2+]CC3)CC2)s1 ZINC000903556522 663788545 /nfs/dbraw/zinc/78/85/45/663788545.db2.gz CKDJNEHEFGPPMI-UHFFFAOYSA-N 1 0 379.345 2.630 20 0 GFADRO Cc1cc(Br)ccc1CS(=O)(=O)N1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903557016 663788572 /nfs/dbraw/zinc/78/85/72/663788572.db2.gz KMRDCYKZLMDWNL-CHWSQXEVSA-N 1 0 375.332 2.504 20 0 GFADRO O=S(=O)(N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1cccc(Cl)c1 ZINC000903573469 663789503 /nfs/dbraw/zinc/78/95/03/663789503.db2.gz IVCGMWNVIHJDKC-AEFFLSMTSA-N 1 0 378.881 2.874 20 0 GFADRO Cc1csc(-c2ccc(S(=O)(=O)N3C[C@@H](C(F)(F)F)[C@H]([NH3+])C3)cc2)n1 ZINC000903573096 663789504 /nfs/dbraw/zinc/78/95/04/663789504.db2.gz QKLXLGRTWRBDTA-CHWSQXEVSA-N 1 0 391.440 2.629 20 0 GFADRO [NH3+][C@@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC[C@H]1C(F)(F)F ZINC000903576978 663789647 /nfs/dbraw/zinc/78/96/47/663789647.db2.gz BDOPHFICFPUQFV-GHMZBOCLSA-N 1 0 376.322 2.606 20 0 GFADRO O=S(=O)(N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccccc1Cl ZINC000903573872 663789654 /nfs/dbraw/zinc/78/96/54/663789654.db2.gz MGSFAQGQTLCSMK-QAPCUYQASA-N 1 0 378.881 2.874 20 0 GFADRO Cc1nc2ccc(S(=O)(=O)N3CC[C@H](C(F)(F)F)[C@H]([NH3+])C3)cc2s1 ZINC000903579298 663790052 /nfs/dbraw/zinc/79/00/52/663790052.db2.gz NEEGTDUPRNARDD-WDEREUQCSA-N 1 0 379.429 2.505 20 0 GFADRO Cc1c(C[C@H](C[NH3+])CN(C)Cc2cc(Br)ccc2F)cnn1C ZINC000903904775 663810641 /nfs/dbraw/zinc/81/06/41/663810641.db2.gz ZZSQOPGKTNPWLV-CYBMUJFWSA-N 1 0 383.309 2.880 20 0 GFADRO CN(Cc1cnnn1[C@@H]1CCC[NH2+]C1)Cc1cc(Br)ccc1F ZINC000903902744 663810653 /nfs/dbraw/zinc/81/06/53/663810653.db2.gz AXNQKSGBGUMPSX-CQSZACIVSA-N 1 0 382.281 2.736 20 0 GFADRO Cc1c(C[C@@H](C[NH3+])CN2CCOc3ccc(Br)cc32)cnn1C ZINC000903915078 663811423 /nfs/dbraw/zinc/81/14/23/663811423.db2.gz XYXDMTJGWQWTHK-ZDUSSCGKSA-N 1 0 379.302 2.507 20 0 GFADRO Cc1c(C[C@@H](C[NH3+])CN2Cc3ccc(C)c(Br)c3C2)cnn1C ZINC000903932515 663812546 /nfs/dbraw/zinc/81/25/46/663812546.db2.gz DCKWKUYTYZOSKF-AWEZNQCLSA-N 1 0 377.330 2.933 20 0 GFADRO [NH3+]Cc1nc2c(s1)CCN(Cc1cn(-c3ccc(F)c(Cl)c3)nn1)C2 ZINC000903941967 663813039 /nfs/dbraw/zinc/81/30/39/663813039.db2.gz IGQJFWYISCJENS-UHFFFAOYSA-N 1 0 378.864 2.533 20 0 GFADRO CCC1([NH3+])CCN(Cc2ccc(Br)cc2N2CCOCC2)CC1 ZINC000903946575 663813700 /nfs/dbraw/zinc/81/37/00/663813700.db2.gz WCSVWGBZWDUDDI-UHFFFAOYSA-N 1 0 382.346 2.989 20 0 GFADRO Ic1ccccc1CN[C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903973232 663814218 /nfs/dbraw/zinc/81/42/18/663814218.db2.gz BYZBHWIYQWSRQF-CQSZACIVSA-N 1 0 386.277 2.540 20 0 GFADRO C[NH2+][C@@H](C)Cc1noc(-c2nnn(-c3ccccc3Br)c2C)n1 ZINC000904076735 663823082 /nfs/dbraw/zinc/82/30/82/663823082.db2.gz HARYXOKEFWITRS-VIFPVBQESA-N 1 0 377.246 2.539 20 0 GFADRO Cc1cc(I)ccc1NC(=O)N1CC[C@H]2CC[C@]21C[NH3+] ZINC000904274002 663829599 /nfs/dbraw/zinc/82/95/99/663829599.db2.gz HTIJUBIFZOBPHM-ABAIWWIYSA-N 1 0 385.249 2.945 20 0 GFADRO O=C(Nc1ccc(F)c(Br)c1)N1CC[NH2+]CCC12CCOCC2 ZINC000904360238 663831339 /nfs/dbraw/zinc/83/13/39/663831339.db2.gz YIRNAFFUIMRHMO-UHFFFAOYSA-N 1 0 386.265 2.965 20 0 GFADRO Cn1cc(NC(=O)N2CCCC[C@H]2C2(C[NH3+])CCC2)cc(Br)c1=O ZINC000904373865 663831772 /nfs/dbraw/zinc/83/17/72/663831772.db2.gz KZIXYCCDVUJUGR-AWEZNQCLSA-N 1 0 397.317 2.663 20 0 GFADRO COCC[C@@H]1C[NH2+]CCN1C(=O)Nc1ccc(Cl)cc1Br ZINC000904378702 663832001 /nfs/dbraw/zinc/83/20/01/663832001.db2.gz JDPKQYOEFXKVIO-LLVKDONJSA-N 1 0 376.682 2.945 20 0 GFADRO COc1cc(C)c(Br)cc1NC(=O)N(C)C1(C[NH3+])CCOCC1 ZINC000904420357 663833408 /nfs/dbraw/zinc/83/34/08/663833408.db2.gz LSVLQXCOFGIINA-UHFFFAOYSA-N 1 0 386.290 2.738 20 0 GFADRO [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)Nc1ccc3nccnc3c1Br)C2 ZINC000904472484 663835313 /nfs/dbraw/zinc/83/53/13/663835313.db2.gz JVABZXHEWALFPX-AXFHLTTASA-N 1 0 376.258 2.736 20 0 GFADRO O=C(Nc1ccn(-c2ccc(Br)cc2)n1)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000904484354 663835989 /nfs/dbraw/zinc/83/59/89/663835989.db2.gz OWXUHGPVEZYMSU-IACUBPJLSA-N 1 0 376.258 2.649 20 0 GFADRO COCC[C@H]1C[NH2+]CCN1C(=O)Nc1ccc(F)c(Br)c1F ZINC000904527401 663836917 /nfs/dbraw/zinc/83/69/17/663836917.db2.gz PJLRBIILUPYCLG-VIFPVBQESA-N 1 0 378.217 2.570 20 0 GFADRO COCCOc1ccc(NC(=O)N[C@]23CCC[C@H]2[NH2+]CC3)cc1Br ZINC000904547139 663837252 /nfs/dbraw/zinc/83/72/52/663837252.db2.gz CAPZRHDDZUSTND-WBVHZDCISA-N 1 0 398.301 2.880 20 0 GFADRO COCCOc1ccc(NC(=O)N[C@H]2C[NH2+]CC2(C)C)cc1Br ZINC000904549849 663837452 /nfs/dbraw/zinc/83/74/52/663837452.db2.gz XNYLPUNXUPIKRX-AWEZNQCLSA-N 1 0 386.290 2.594 20 0 GFADRO COCCOc1ccc(NC(=O)N2CCCC[C@@H]2C[NH3+])cc1Br ZINC000904549921 663837488 /nfs/dbraw/zinc/83/74/88/663837488.db2.gz ZBSWDNBCVLPFQD-CYBMUJFWSA-N 1 0 386.290 2.819 20 0 GFADRO N[C@H](c1nc([C@H]2CCCOC2)no1)c1ccccc1I ZINC000904695318 663841256 /nfs/dbraw/zinc/84/12/56/663841256.db2.gz NOZIMZGBTWUADR-CABZTGNLSA-N 1 0 385.205 2.616 20 0 GFADRO CC(C)(C)[C@H]([NH3+])Cc1nc(CC(=O)Nc2ccccc2Br)no1 ZINC000904691176 663841263 /nfs/dbraw/zinc/84/12/63/663841263.db2.gz WZJBHOKKPGPPDI-GFCCVEGCSA-N 1 0 381.274 2.929 20 0 GFADRO Brc1cccc(-c2nc(-c3noc([C@@H]4C[C@@H]5CC[C@H]4[NH2+]5)n3)n[nH]2)c1 ZINC000904712135 663841746 /nfs/dbraw/zinc/84/17/46/663841746.db2.gz JGUJHNCCGYRQEO-QJPTWQEYSA-N 1 0 387.241 2.892 20 0 GFADRO CC(C)(C)NS(=O)(=O)C1([C@@H](O)C[NH2+]CCc2ccc(Cl)s2)CCC1 ZINC000905050936 663850757 /nfs/dbraw/zinc/85/07/57/663850757.db2.gz SUOJCDGHHZHKEA-ZDUSSCGKSA-N 1 0 394.990 2.535 20 0 GFADRO Cn1ccc(N2CCC[C@@H]([NH2+]C[C@@H](O)c3ccc(Cl)c(Cl)c3)C2=O)n1 ZINC000905139946 663854899 /nfs/dbraw/zinc/85/48/99/663854899.db2.gz UQLSXDHEFQFNTK-HUUCEWRRSA-N 1 0 383.279 2.546 20 0 GFADRO CCS(=O)(=O)c1ccc(C[NH2+]C[C@](C)(O)C(F)(F)C(F)(F)F)s1 ZINC000905242340 663862225 /nfs/dbraw/zinc/86/22/25/663862225.db2.gz IJKKROORGFOOSY-JTQLQIEISA-N 1 0 381.388 2.580 20 0 GFADRO COC(=O)c1cc(Br)cc(-c2nc(CC3CC[NH2+]CC3)no2)c1 ZINC000905309359 663865290 /nfs/dbraw/zinc/86/52/90/663865290.db2.gz IZDFXLPQRSTWJO-UHFFFAOYSA-N 1 0 380.242 2.828 20 0 GFADRO O=S(=O)(CC1CC[NH2+]CC1)N1CCC[C@@H]1c1ccc(Br)cc1 ZINC000905334273 663866159 /nfs/dbraw/zinc/86/61/59/663866159.db2.gz OXLIYNRNLNQATL-MRXNPFEDSA-N 1 0 387.343 2.915 20 0 GFADRO O=S(=O)(CC1CC[NH2+]CC1)NCc1ccc(Br)cc1Cl ZINC000905336236 663866169 /nfs/dbraw/zinc/86/61/69/663866169.db2.gz XRGUSZGTDXKSJM-UHFFFAOYSA-N 1 0 381.723 2.522 20 0 GFADRO O=S(=O)(CC1CC[NH2+]CC1)N1CCC[C@@H]1c1cccc(Br)c1 ZINC000905335201 663866208 /nfs/dbraw/zinc/86/62/08/663866208.db2.gz YCMJIRKRWQJTMN-MRXNPFEDSA-N 1 0 387.343 2.915 20 0 GFADRO OC[C@@H](C[C@H](O)c1ccccc1)[NH2+]C[C@H](O)c1ccc(Br)cc1 ZINC000905364535 663867567 /nfs/dbraw/zinc/86/75/67/663867567.db2.gz DIUAIRSSHXZCIF-SQNIBIBYSA-N 1 0 380.282 2.557 20 0 GFADRO O[C@H](CC[C@@H](O)c1ccccc1)C[NH2+]C[C@H](O)c1cccc(Br)c1 ZINC000905370499 663867910 /nfs/dbraw/zinc/86/79/10/663867910.db2.gz FAZLGUQWMRDRKX-QRVBRYPASA-N 1 0 394.309 2.947 20 0 GFADRO O[C@H](C[NH2+][C@@H]1CCCCc2cc(Br)ccc21)C1(O)CCOCC1 ZINC000905382849 663868479 /nfs/dbraw/zinc/86/84/79/663868479.db2.gz RUECJXOUDWMGJJ-IAGOWNOFSA-N 1 0 384.314 2.709 20 0 GFADRO CC(C)(C)NS(=O)(=O)C1([C@H](O)C[NH2+]CC(C)(C)CC(F)(F)F)CCC1 ZINC000905387150 663868875 /nfs/dbraw/zinc/86/88/75/663868875.db2.gz STFFSISQYQDBNK-GFCCVEGCSA-N 1 0 388.496 2.556 20 0 GFADRO C[C@H](OC[C@@H](O)C[NH2+]C[C@H](O)C(F)(F)C(F)(F)F)c1ccc(Cl)cc1 ZINC000905446736 663871687 /nfs/dbraw/zinc/87/16/87/663871687.db2.gz LBNBIHNHHKQCPO-XDTLVQLUSA-N 1 0 391.764 2.927 20 0 GFADRO CCOC(=O)C1CCC(O)(C[C@H](O)C[NH2+]Cc2cscc2Cl)CC1 ZINC000905457706 663872222 /nfs/dbraw/zinc/87/22/22/663872222.db2.gz GCYADQFAOFDXGU-TVIZTDCDSA-N 1 0 375.918 2.727 20 0 GFADRO COC(=O)C1CC2(C1)C[C@@H]([NH2+]C[C@@H](O)c1cccc(Br)c1)CCO2 ZINC000905488114 663873920 /nfs/dbraw/zinc/87/39/20/663873920.db2.gz BEACGUJWGLKEIS-ZWEVUMDMSA-N 1 0 398.297 2.573 20 0 GFADRO O[C@H](C[NH2+]Cc1cc(Br)c2ccccc2c1)CC1(O)CCOCC1 ZINC000905517069 663875416 /nfs/dbraw/zinc/87/54/16/663875416.db2.gz QFFQZAUCZBWCKZ-INIZCTEOSA-N 1 0 394.309 2.984 20 0 GFADRO CC(C)O[C@]1(C[NH2+]C[C@H](O)COc2c(Cl)cccc2Cl)CCOC1 ZINC000905556903 663878216 /nfs/dbraw/zinc/87/82/16/663878216.db2.gz KPBZOKXWTKKRDJ-GUYCJALGSA-N 1 0 378.296 2.907 20 0 GFADRO O[C@@H](C[NH2+]C[C@H]1CCN1C1CCOCC1)COc1ccc(Cl)cc1Cl ZINC000905623946 663882285 /nfs/dbraw/zinc/88/22/85/663882285.db2.gz JQHMZZYKVYIFEL-CVEARBPZSA-N 1 0 389.323 2.576 20 0 GFADRO COC(=O)[C@@H]1C[C@@H]2C[C@H]([NH2+]C[C@H](O)c3ccc(F)c(Br)c3)[C@@H]2C1 ZINC000905653372 663884083 /nfs/dbraw/zinc/88/40/83/663884083.db2.gz JLYPOTLXZKYWML-ZQGUGBBBSA-N 1 0 386.261 2.799 20 0 GFADRO C[N@H+](Cc1cn(C[C@@H](O)COc2cccc(Br)c2)nn1)C(C)(C)C ZINC000905812141 663893396 /nfs/dbraw/zinc/89/33/96/663893396.db2.gz BRQBQVUCWAPXNZ-OAHLLOKOSA-N 1 0 397.317 2.711 20 0 GFADRO Cc1cccc([C@@H](O)C[NH+]2CCC(NS(=O)(=O)c3cccs3)CC2)c1 ZINC000905898878 663899531 /nfs/dbraw/zinc/89/95/31/663899531.db2.gz QTRWPWSMDFCTBY-KRWDZBQOSA-N 1 0 380.535 2.533 20 0 GFADRO CNC(=O)COc1cccc(C[NH2+]C[C@H](O)c2ccc(Cl)c(Cl)c2)c1 ZINC000905915025 663900643 /nfs/dbraw/zinc/90/06/43/663900643.db2.gz KUBYMMWUNFKYNR-KRWDZBQOSA-N 1 0 383.275 2.941 20 0 GFADRO O=C(NCC[NH+]1CCCCCC1)c1cc(Br)cn(C2CC2)c1=O ZINC000906073060 663921834 /nfs/dbraw/zinc/92/18/34/663921834.db2.gz OFMBIYJALJAHSQ-UHFFFAOYSA-N 1 0 382.302 2.552 20 0 GFADRO CN(C(=O)COC1CC[NH+](C)CC1)c1nc2cc(Br)ccc2o1 ZINC000906080991 663923401 /nfs/dbraw/zinc/92/34/01/663923401.db2.gz ZCTAJWPKDXQEQO-UHFFFAOYSA-N 1 0 382.258 2.664 20 0 GFADRO C[C@H](CNC(=O)c1cc(Br)cn(C2CC2)c1=O)[N@@H+]1CCC[C@H](C)C1 ZINC000906166819 663929986 /nfs/dbraw/zinc/92/99/86/663929986.db2.gz AOUFNTUGORDXFV-QWHCGFSZSA-N 1 0 396.329 2.796 20 0 GFADRO COc1ccc(CCC(=O)N(C)c2cc(C[NH3+])ccn2)c(Br)c1 ZINC000906226770 663932933 /nfs/dbraw/zinc/93/29/33/663932933.db2.gz KGQGKJWNCKCUFK-UHFFFAOYSA-N 1 0 378.270 2.907 20 0 GFADRO CCC[NH+]1CCC(CNC(=O)c2nscc2I)CC1 ZINC000906476513 663951520 /nfs/dbraw/zinc/95/15/20/663951520.db2.gz UPHHFOUAZUNTJG-UHFFFAOYSA-N 1 0 393.294 2.600 20 0 GFADRO CCC[NH+](CCC)CCCNC(=O)c1nscc1I ZINC000906543160 663956751 /nfs/dbraw/zinc/95/67/51/663956751.db2.gz GPMTUGUZRHELQI-UHFFFAOYSA-N 1 0 395.310 2.990 20 0 GFADRO Cc1cc(C(=O)N2CCC[C@H](C[NH3+])C2)nn1-c1ccccc1Br ZINC000906627849 663961723 /nfs/dbraw/zinc/96/17/23/663961723.db2.gz PHSVWLISMRYVKO-CYBMUJFWSA-N 1 0 377.286 2.754 20 0 GFADRO CC(C)n1cc(Br)c(C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)n1 ZINC000906672550 663964411 /nfs/dbraw/zinc/96/44/11/663964411.db2.gz DEAOZYCHJAVBBX-AWEZNQCLSA-N 1 0 399.333 2.600 20 0 GFADRO C[NH+](C)CCN(C(=O)c1cc(Br)cn(C2CC2)c1=O)C1CCCC1 ZINC000906672971 663964470 /nfs/dbraw/zinc/96/44/70/663964470.db2.gz JELSSYSYPMQOKE-UHFFFAOYSA-N 1 0 396.329 2.892 20 0 GFADRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)c1nscc1I ZINC000906686750 663965151 /nfs/dbraw/zinc/96/51/51/663965151.db2.gz TWNVJKAIEWRGCP-SNVBAGLBSA-N 1 0 393.294 2.742 20 0 GFADRO [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(=O)Nc1cc(Cl)ccc1C(F)(F)F)C2 ZINC000906751753 663968320 /nfs/dbraw/zinc/96/83/20/663968320.db2.gz CZNPHKVLCQZEOI-GDPRMGEGSA-N 1 0 375.778 2.636 20 0 GFADRO C[C@H]1C[C@@H](N(C)C(=O)C(F)(F)c2ncccc2Br)CC[N@@H+]1C ZINC000906790597 663971098 /nfs/dbraw/zinc/97/10/98/663971098.db2.gz KARCMSSXSZFOEA-QWRGUYRKSA-N 1 0 376.245 2.877 20 0 GFADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2cnnn2-c2cc(Cl)ccc2Cl)C1 ZINC000906848401 663976520 /nfs/dbraw/zinc/97/65/20/663976520.db2.gz XUMHXTGWFDXFKO-LBPRGKRZSA-N 1 0 382.295 2.988 20 0 GFADRO CCO[C@@H](CC[NH+](C)C)CNC(=O)Cc1sc(C)cc1Br ZINC000906943392 663984679 /nfs/dbraw/zinc/98/46/79/663984679.db2.gz ZFBOTXFCIHUQSZ-LBPRGKRZSA-N 1 0 377.348 2.835 20 0 GFADRO COc1ncccc1S(=O)(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000906988644 663989289 /nfs/dbraw/zinc/98/92/89/663989289.db2.gz ZLNRHEYPMHCAAS-XJKSGUPXSA-N 1 0 381.523 2.513 20 0 GFADRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2cccn3ncc(Br)c23)C1 ZINC000907065562 663998854 /nfs/dbraw/zinc/99/88/54/663998854.db2.gz QFHYWSRSLPIRKG-SWLSCSKDSA-N 1 0 377.286 2.653 20 0 GFADRO CC(C)Oc1ccc(Br)cc1NC(=O)C1CN(C)CC[N@H+](C)C1 ZINC000907075215 664000094 /nfs/dbraw/zinc/00/00/94/664000094.db2.gz YJNVNAXWLKLSEV-UHFFFAOYSA-N 1 0 384.318 2.668 20 0 GFADRO Cc1cc(NC(=O)CCCN2CC[NH+](C(C)C)CC2)cnc1Br ZINC000907314110 664022509 /nfs/dbraw/zinc/02/25/09/664022509.db2.gz QTHBJWJGUBBKTD-UHFFFAOYSA-N 1 0 383.334 2.897 20 0 GFADRO Cc1ccc(C[N@H+]2CC[C@H](CN(C)S(=O)(=O)CC[C@H]3CCCO3)C2)s1 ZINC000907344176 664026061 /nfs/dbraw/zinc/02/60/61/664026061.db2.gz CQHCEBRLEDEQEH-IAGOWNOFSA-N 1 0 386.583 2.709 20 0 GFADRO C[N@@H+]1CCC[C@](O)(CC(=O)Nc2nnc(Cc3ccc(Cl)cc3)s2)C1 ZINC000907551077 664045466 /nfs/dbraw/zinc/04/54/66/664045466.db2.gz ZBKMQTSOVRIMOR-KRWDZBQOSA-N 1 0 380.901 2.568 20 0 GFADRO Cc1ccc(Br)c(CS(=O)(=O)N2CCC23CC[NH+](C)CC3)c1 ZINC000907857072 664066321 /nfs/dbraw/zinc/06/63/21/664066321.db2.gz JFCSNDHSWPRQOX-UHFFFAOYSA-N 1 0 387.343 2.757 20 0 GFADRO O=C(NCc1ccc(I)c(Cl)c1)C12CC[NH+](CC1)C2 ZINC000908020641 664077624 /nfs/dbraw/zinc/07/76/24/664077624.db2.gz MFIFXUMOTPGIJR-UHFFFAOYSA-N 1 0 390.652 2.657 20 0 GFADRO C[N@@H+]1CCC[C@@](O)(CC(=O)Nc2cccc3cc(Br)cnc32)C1 ZINC000908126018 664085668 /nfs/dbraw/zinc/08/56/68/664085668.db2.gz VADRLNYMNWEENO-QGZVFWFLSA-N 1 0 378.270 2.783 20 0 GFADRO CCn1c(Br)ncc1C(=O)N(C)CCC[N@H+](C)Cc1ccncc1 ZINC000908238625 664093722 /nfs/dbraw/zinc/09/37/22/664093722.db2.gz PNUOARMTZXOZPX-UHFFFAOYSA-N 1 0 394.317 2.655 20 0 GFADRO CCCC[N@H+](C)C[C@@H](C)NC(=O)c1cc(Br)cn(C2CC2)c1=O ZINC000908259128 664095243 /nfs/dbraw/zinc/09/52/43/664095243.db2.gz SZMDFQPOMNBMIR-GFCCVEGCSA-N 1 0 384.318 2.796 20 0 GFADRO COC(=O)c1nc(C(=O)NC[C@@H](c2ccc(SC)cc2)[NH+](C)C)cs1 ZINC000908458773 664108371 /nfs/dbraw/zinc/10/83/71/664108371.db2.gz WURGMTQQWCAFJO-AWEZNQCLSA-N 1 0 379.507 2.684 20 0 GFADRO CC(C)[NH2+]C1(CO)CCN(C(=O)[C@@H]2C[C@H]2c2ccc(Br)cc2)CC1 ZINC000908606829 664117473 /nfs/dbraw/zinc/11/74/73/664117473.db2.gz QVWGHFCHCLZTML-DLBZAZTESA-N 1 0 395.341 2.904 20 0 GFADRO CC(C)[NH2+]C1(CO)CCN(C(=O)[C@@H](C)c2cccc(Br)c2)CC1 ZINC000908610481 664117767 /nfs/dbraw/zinc/11/77/67/664117767.db2.gz ZJHSDXBETDLRAX-AWEZNQCLSA-N 1 0 383.330 2.904 20 0 GFADRO C[N@@H+]1CCC[C@@](O)(CC(=O)N[C@H]2CCc3c2ccc(F)c3Br)C1 ZINC000909047450 664142705 /nfs/dbraw/zinc/14/27/05/664142705.db2.gz GWSVOGLDCPYXLL-WMLDXEAASA-N 1 0 385.277 2.539 20 0 GFADRO Cc1c(Br)cncc1C(=O)N1CCC(C[N@@H+](CCO)C(C)C)CC1 ZINC000910874710 664230738 /nfs/dbraw/zinc/23/07/38/664230738.db2.gz DAWLBFHXCYPGLK-UHFFFAOYSA-N 1 0 398.345 2.707 20 0 GFADRO CC[C@H](NC(=O)C(=O)N[C@@H]1Cc2ccccc2[C@H]1[NH3+])c1ccc(Cl)s1 ZINC000911036734 664233787 /nfs/dbraw/zinc/23/37/87/664233787.db2.gz YVAFHLZEEZDQBT-WOSRLPQWSA-N 1 0 377.897 2.710 20 0 GFADRO C[C@H](CNC(=O)C(=O)N1CC[C@@H](C[NH3+])[C@H](C)C1)c1c(Cl)cccc1Cl ZINC000911187187 664238029 /nfs/dbraw/zinc/23/80/29/664238029.db2.gz NEZGULTZEBNWSI-UPJWGTAASA-N 1 0 386.323 2.656 20 0 GFADRO C[C@H](C(=O)N1CCc2[nH]cnc2[C@H]1c1ccc(Br)cc1)[NH+](C)C ZINC000911250510 664240105 /nfs/dbraw/zinc/24/01/05/664240105.db2.gz QEYSXRWZFUHUMI-BDJLRTHQSA-N 1 0 377.286 2.596 20 0 GFADRO C[C@H](NC(=O)c1cc(Br)c(Br)[nH]1)[C@H]1CCC[NH2+]C1 ZINC000911726731 664254287 /nfs/dbraw/zinc/25/42/87/664254287.db2.gz VEFJNNRAJMMUOP-YUMQZZPRSA-N 1 0 379.096 2.658 20 0 GFADRO C[NH2+]C[C@H]1CCN(C(=O)c2c(Cl)ccc(I)c2F)C1 ZINC000911775794 664256407 /nfs/dbraw/zinc/25/64/07/664256407.db2.gz WNSMNIDSGHSNBH-MRVPVSSYSA-N 1 0 396.631 2.765 20 0 GFADRO [NH3+]CC1(NC(=O)c2ccc(Cn3cc(Br)cn3)s2)CCCC1 ZINC000911800807 664256638 /nfs/dbraw/zinc/25/66/38/664256638.db2.gz UJDBHOSJUIFPCG-UHFFFAOYSA-N 1 0 383.315 2.757 20 0 GFADRO CN(C(=O)C[C@H]1c2cc(Br)ccc2NC1=O)C1CCC([NH3+])CC1 ZINC000911866065 664259653 /nfs/dbraw/zinc/25/96/53/664259653.db2.gz ZMOBFYLCRXEAJO-YIZWMMSDSA-N 1 0 380.286 2.603 20 0 GFADRO O=C(Nc1ccc(I)cc1)c1cnc(C2CC[NH2+]CC2)o1 ZINC000911926350 664262165 /nfs/dbraw/zinc/26/21/65/664262165.db2.gz WDVVGIMVUZHEQC-UHFFFAOYSA-N 1 0 397.216 2.999 20 0 GFADRO C[NH+]1CCC(N(CCO)C(=O)c2cc(Cl)cc(F)c2Br)CC1 ZINC000911943295 664263247 /nfs/dbraw/zinc/26/32/47/664263247.db2.gz LIEOWEQHWLRMHS-UHFFFAOYSA-N 1 0 393.684 2.770 20 0 GFADRO CS[C@H]1CN(c2ccc(-c3nnc(Br)o3)cc2)C[C@@H]1[NH+](C)C ZINC000912008442 664265816 /nfs/dbraw/zinc/26/58/16/664265816.db2.gz WRPVYFXVVMPCPA-STQMWFEESA-N 1 0 383.315 2.981 20 0 GFADRO CC[N@H+]1[C@H](C)CN(C(=O)c2cc(Br)cn(C3CC3)c2=O)C[C@@H]1C ZINC000912026997 664267148 /nfs/dbraw/zinc/26/71/48/664267148.db2.gz MKUOMCHKEUQODV-TXEJJXNPSA-N 1 0 382.302 2.500 20 0 GFADRO CC(C)c1cccc(NC(=O)c2cc(Br)cn(CC[NH3+])c2=O)c1 ZINC000912055546 664268661 /nfs/dbraw/zinc/26/86/61/664268661.db2.gz TWEGYNYRSGRTGS-UHFFFAOYSA-N 1 0 378.270 2.945 20 0 GFADRO OCC[N@@H+]1CCC[C@H]2[C@H]1CCN2c1ccc(-c2nnc(Br)o2)cc1 ZINC000912352291 664283053 /nfs/dbraw/zinc/28/30/53/664283053.db2.gz YEDOKMJXZAVDHN-CABCVRRESA-N 1 0 393.285 2.535 20 0 GFADRO COc1cccc2c1CC[C@@]2([NH3+])C(=O)NCc1ccc(Br)s1 ZINC000912495924 664290532 /nfs/dbraw/zinc/29/05/32/664290532.db2.gz PLPFTNLSHJEGPG-INIZCTEOSA-N 1 0 381.295 2.936 20 0 GFADRO CCN(C(=O)c1cc(Br)cn(CC[NH3+])c1=O)c1cccc(C)c1C ZINC000912497205 664290921 /nfs/dbraw/zinc/29/09/21/664290921.db2.gz BRNRKSYSGUJUMA-UHFFFAOYSA-N 1 0 392.297 2.853 20 0 GFADRO CC(C)Nc1cc(Br)ccc1NC(=O)C1CN(C)CC[N@H+](C)C1 ZINC000912512372 664291206 /nfs/dbraw/zinc/29/12/06/664291206.db2.gz GOLDMVJYISXBIE-UHFFFAOYSA-N 1 0 383.334 2.701 20 0 GFADRO Cc1c2ccc(C(F)(F)F)nc2sc1C(=O)N(C)CC[N@H+](C)CCO ZINC000912609854 664294747 /nfs/dbraw/zinc/29/47/47/664294747.db2.gz PIHOEFOMRIPDOA-UHFFFAOYSA-N 1 0 375.416 2.620 20 0 GFADRO Cn1ccnc1[C@@H](NC(=O)C[C@H]1CC[N@H+](C)C1)c1ccc(Br)cc1 ZINC000912678661 664297056 /nfs/dbraw/zinc/29/70/56/664297056.db2.gz LULHHWZIXYYKOQ-DYVFJYSZSA-N 1 0 391.313 2.730 20 0 GFADRO Cc1nc2ccc(Br)cn2c1C(=O)N1CCC([NH+]2CCC2)CC1 ZINC000912873494 664307129 /nfs/dbraw/zinc/30/71/29/664307129.db2.gz OCVXBBMQUBHMSS-UHFFFAOYSA-N 1 0 377.286 2.716 20 0 GFADRO C[C@@H]1CN(C(C)(C)C[NH2+]C[C@@H](O)c2cccc(Br)c2)C[C@@H](C)O1 ZINC000913116965 664325441 /nfs/dbraw/zinc/32/54/41/664325441.db2.gz ROLHGDWEZNVBHH-CKEIUWERSA-N 1 0 385.346 2.960 20 0 GFADRO O=C(NC12CC[NH+](CC1)C2)c1c(F)ccc(I)c1Cl ZINC000913637860 664347127 /nfs/dbraw/zinc/34/71/27/664347127.db2.gz MXKNYVKVKSUXDK-UHFFFAOYSA-N 1 0 394.615 2.662 20 0 GFADRO CC(C)C[NH+]1CCC(NC(=O)NCC2(n3cc(Br)cn3)CC2)CC1 ZINC000913990264 664370845 /nfs/dbraw/zinc/37/08/45/664370845.db2.gz DWRQLUHNUHXSCF-UHFFFAOYSA-N 1 0 398.349 2.554 20 0 GFADRO CN(CC1CC[NH+](C)CC1)S(=O)(=O)Cc1cccc(F)c1Br ZINC000914062625 664373780 /nfs/dbraw/zinc/37/37/80/664373780.db2.gz GKFQVXQTCJADBN-UHFFFAOYSA-N 1 0 393.322 2.692 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)NCc1cnc(Br)cn1)C1CCCCC1 ZINC000914072792 664374376 /nfs/dbraw/zinc/37/43/76/664374376.db2.gz YCFMWNRBEHCERE-CQSZACIVSA-N 1 0 384.322 2.549 20 0 GFADRO Cn1nc(C(F)(F)F)cc1CNC(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000914074176 664374616 /nfs/dbraw/zinc/37/46/16/664374616.db2.gz ZHQQQRRXJGYKJA-GFCCVEGCSA-N 1 0 375.420 2.603 20 0 GFADRO C[C@H](C[NH+]1CCCCC1)NC(=O)NC1(c2ncc(Br)cn2)CCC1 ZINC000914081358 664375218 /nfs/dbraw/zinc/37/52/18/664375218.db2.gz UWJCUGMAZSQALW-CYBMUJFWSA-N 1 0 396.333 2.792 20 0 GFADRO C[C@H]1CCC[N@H+](CCCCNC(=O)NCc2cnc(Br)cn2)C1 ZINC000914099815 664376485 /nfs/dbraw/zinc/37/64/85/664376485.db2.gz KNVFWDOGEDHIPW-ZDUSSCGKSA-N 1 0 384.322 2.550 20 0 GFADRO CC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)Cc2ccsc2Br)C1 ZINC000914204983 664385408 /nfs/dbraw/zinc/38/54/08/664385408.db2.gz DHMKVABDWXDTMV-NSHDSACASA-N 1 0 381.361 2.614 20 0 GFADRO C[NH+](C)CCN(Cc1cccs1)S(=O)(=O)c1occc1Br ZINC000914234446 664388989 /nfs/dbraw/zinc/38/89/89/664388989.db2.gz RFGHHDCLBXXASI-UHFFFAOYSA-N 1 0 393.328 2.856 20 0 GFADRO C[C@H]1CCC[C@](CNC(=O)N(C)Cc2ncc(Br)cn2)([NH+](C)C)C1 ZINC000914313750 664398097 /nfs/dbraw/zinc/39/80/97/664398097.db2.gz FJPNNACCNGAOFB-GUYCJALGSA-N 1 0 398.349 2.891 20 0 GFADRO CN(Cc1ncc(Br)cn1)C(=O)NCC[N@H+](C)Cc1ccccc1 ZINC000914333109 664400636 /nfs/dbraw/zinc/40/06/36/664400636.db2.gz QGFQSLYOFMNSCE-UHFFFAOYSA-N 1 0 392.301 2.513 20 0 GFADRO C[NH+](C)[C@H]1CCCN(S(=O)(=O)Cc2cccc(F)c2Br)CC1 ZINC000914984996 664418694 /nfs/dbraw/zinc/41/86/94/664418694.db2.gz YJAMLLNIKBDWCM-ZDUSSCGKSA-N 1 0 393.322 2.834 20 0 GFADRO C[NH+](C)[C@H]1CCCN(S(=O)(=O)Cc2ccc(F)cc2Br)CC1 ZINC000914985072 664418707 /nfs/dbraw/zinc/41/87/07/664418707.db2.gz ZZUNBPWUBHQSSF-AWEZNQCLSA-N 1 0 393.322 2.834 20 0 GFADRO Cc1ccc([C@@H](CNC(=O)NCc2cnc(Br)cn2)[NH+](C)C)cc1 ZINC000915073374 664420469 /nfs/dbraw/zinc/42/04/69/664420469.db2.gz QOUBYVFVIMYJKS-OAHLLOKOSA-N 1 0 392.301 2.650 20 0 GFADRO CC(C)[N@H+](C)CCCNC(=O)/C=C\c1ccc(I)o1 ZINC000915173786 664422721 /nfs/dbraw/zinc/42/27/21/664422721.db2.gz PWMXHWWDOAMHBA-VURMDHGXSA-N 1 0 376.238 2.744 20 0 GFADRO COc1ccc([C@H](O)C[NH2+]C[C@H](O)COc2cccc(Br)c2)cc1 ZINC000915227371 664424564 /nfs/dbraw/zinc/42/45/64/664424564.db2.gz SXGJBMKVDQZPTH-MAUKXSAKSA-N 1 0 396.281 2.521 20 0 GFADRO CC(C)n1cc(Br)c(C(=O)N2CCN(c3cc[nH+]cc3)[C@H](C)C2)n1 ZINC000915257347 664425486 /nfs/dbraw/zinc/42/54/86/664425486.db2.gz JZWUQYSUMDGUMB-CYBMUJFWSA-N 1 0 392.301 2.972 20 0 GFADRO O=C(COc1ccc(Br)cc1)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000915625375 664436010 /nfs/dbraw/zinc/43/60/10/664436010.db2.gz KCDOKCROAKEFPQ-QGZVFWFLSA-N 1 0 397.313 2.588 20 0 GFADRO O=S(=O)(c1cscc1C(F)F)N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000916292622 664456184 /nfs/dbraw/zinc/45/61/84/664456184.db2.gz SANGCNSTEYRFPP-UHFFFAOYSA-N 1 0 380.482 2.561 20 0 GFADRO Cc1cccc2cc(S(=O)(=O)N3CCC(CO)([NH2+]C(C)C)CC3)sc21 ZINC000917545927 664485942 /nfs/dbraw/zinc/48/59/42/664485942.db2.gz WISVUWKUFVHMMH-UHFFFAOYSA-N 1 0 382.551 2.723 20 0 GFADRO CC(C)[NH2+]C1(CO)CCN(S(=O)(=O)c2cc(C(C)C)ccc2Cl)CC1 ZINC000917544409 664486023 /nfs/dbraw/zinc/48/60/23/664486023.db2.gz IPQDAQUUPSCJDK-UHFFFAOYSA-N 1 0 388.961 2.977 20 0 GFADRO C[C@@H]1C[C@@H](C)C[NH+](CCCNS(=O)(=O)c2c(Cl)nc3ccccn32)C1 ZINC000917651623 664487766 /nfs/dbraw/zinc/48/77/66/664487766.db2.gz CSPSTUNKNGIGQJ-ZIAGYGMSSA-N 1 0 384.933 2.634 20 0 GFADRO Cc1cc(Br)cc(C)c1S(=O)(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000919725658 664517305 /nfs/dbraw/zinc/51/73/05/664517305.db2.gz CCTQKXIZMMYDGA-CABCVRRESA-N 1 0 387.343 2.971 20 0 GFADRO CN(CCOc1ccc(Br)cc1)C(=S)NC1CC[NH+](C)CC1 ZINC000920307368 664524793 /nfs/dbraw/zinc/52/47/93/664524793.db2.gz IYTZCNNQOVSESI-UHFFFAOYSA-N 1 0 386.359 2.728 20 0 GFADRO O=c1n2ccccc2nn1CN1CCC[C@@H]1Cc1ccc(Br)cc1 ZINC000920758224 664530609 /nfs/dbraw/zinc/53/06/09/664530609.db2.gz NPMBDUGNELIGHI-MRXNPFEDSA-N 1 0 387.281 2.923 20 0 GFADRO COCC[NH+]1CCC(NC(=O)/C=C/c2ccc(C)cc2Br)CC1 ZINC000920775440 664531304 /nfs/dbraw/zinc/53/13/04/664531304.db2.gz QVWCJYAPDMXAOJ-AATRIKPKSA-N 1 0 381.314 2.998 20 0 GFADRO CC1([NH+]2CCCC2)CCC(NS(=O)(=O)c2c[nH]nc2C(F)(F)F)CC1 ZINC000921282224 664540210 /nfs/dbraw/zinc/54/02/10/664540210.db2.gz XMRPLSUUZXUDOI-UHFFFAOYSA-N 1 0 380.436 2.504 20 0 GFADRO C[C@@H]1CN([C@@H](C[NH2+]Cc2nc(Br)c[nH]2)c2cccs2)CCO1 ZINC000921702339 664562195 /nfs/dbraw/zinc/56/21/95/664562195.db2.gz LNXLBKXIZXLCJU-NEPJUHHUSA-N 1 0 385.331 2.785 20 0 GFADRO CC1([NH+]2CCC2)CCC(NS(=O)(=O)c2c(Cl)nc3sccn32)CC1 ZINC000921722798 664564386 /nfs/dbraw/zinc/56/43/86/664564386.db2.gz RWLBSWKAONDOOW-UHFFFAOYSA-N 1 0 388.946 2.735 20 0 GFADRO CCn1c(C[NH2+]C[C@@H](C)C[C@H](C)O)nc(Br)c1Br ZINC000921769406 664567495 /nfs/dbraw/zinc/56/74/95/664567495.db2.gz JPCPQIWWFFHQNM-IUCAKERBSA-N 1 0 383.128 2.925 20 0 GFADRO COc1cc(CN2CC[C@@H]([NH2+]Cc3nc(Br)c[nH]3)C2)cc(OC)c1 ZINC000921830819 664571249 /nfs/dbraw/zinc/57/12/49/664571249.db2.gz NNPUSCGSOGLVRM-CYBMUJFWSA-N 1 0 395.301 2.554 20 0 GFADRO Cc1cc(C[NH2+]C[C@H]2CCCS2(=O)=O)c(C)cc1I ZINC000921864514 664574145 /nfs/dbraw/zinc/57/41/45/664574145.db2.gz UQKGBDDQZMANMT-CYBMUJFWSA-N 1 0 393.290 2.575 20 0 GFADRO C[C@H](NC(=O)NCc1cnc(Br)cn1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000921877050 664574602 /nfs/dbraw/zinc/57/46/02/664574602.db2.gz BLQGDPLPHOXXRF-QWHCGFSZSA-N 1 0 396.333 2.691 20 0 GFADRO CCn1c(C[NH2+][C@H](COC)C2CC2)nc(Br)c1Br ZINC000921922578 664576867 /nfs/dbraw/zinc/57/68/67/664576867.db2.gz SLUPCZVZPWOCJC-SECBINFHSA-N 1 0 381.112 2.943 20 0 GFADRO Cc1cc(Br)cn2cc(CC[NH2+]Cc3cnn(CCF)c3)nc12 ZINC000921990218 664580569 /nfs/dbraw/zinc/58/05/69/664580569.db2.gz NFNCJETZMJRZDC-UHFFFAOYSA-N 1 0 380.265 2.904 20 0 GFADRO Cc1cc(CNCc2nnnn2CC2CC2)c(C)cc1I ZINC000922008017 664581101 /nfs/dbraw/zinc/58/11/01/664581101.db2.gz ZPDFZERQIUZTPB-UHFFFAOYSA-N 1 0 397.264 2.594 20 0 GFADRO CCn1c(C[NH2+]C[C@H]2CC[C@@H](O)C2)nc(Br)c1Br ZINC000922044310 664582572 /nfs/dbraw/zinc/58/25/72/664582572.db2.gz NAFMVUDZNVDJJZ-DTWKUNHWSA-N 1 0 381.112 2.679 20 0 GFADRO OC[C@@H](C[NH2+]Cc1nc(Br)c[nH]1)Cc1cc(F)c(F)c(F)c1 ZINC000922063161 664583623 /nfs/dbraw/zinc/58/36/23/664583623.db2.gz DSDSDCSLOHFMGC-SECBINFHSA-N 1 0 378.192 2.530 20 0 GFADRO CN(C)C(=O)c1cccc(C[NH2+]CCCCn2cc(Br)cn2)c1 ZINC000922075832 664584380 /nfs/dbraw/zinc/58/43/80/664584380.db2.gz DONBQFONXYFDNY-UHFFFAOYSA-N 1 0 379.302 2.917 20 0 GFADRO Cc1ccc(Br)cc1CNC(=O)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000922122354 664586870 /nfs/dbraw/zinc/58/68/70/664586870.db2.gz ZJSJDNQLXSFSBO-QGZVFWFLSA-N 1 0 396.329 2.810 20 0 GFADRO CCn1nncc1CNc1cc(Br)ccc1N(C)CC[NH+](C)C ZINC000922206407 664590160 /nfs/dbraw/zinc/59/01/60/664590160.db2.gz POHZWQCUFSTGGW-UHFFFAOYSA-N 1 0 381.322 2.670 20 0 GFADRO Cc1cnc(Cl)c(C[NH2+]CCNC(=O)c2ccc(Br)cn2)c1 ZINC000922238301 664591202 /nfs/dbraw/zinc/59/12/02/664591202.db2.gz SCOAZFJESJOTTQ-UHFFFAOYSA-N 1 0 383.677 2.721 20 0 GFADRO CN(CCCC[NH+]1CCCCC1)C(=O)c1cc2ncc(Br)cn2n1 ZINC000922335581 664595366 /nfs/dbraw/zinc/59/53/66/664595366.db2.gz RQYVNNMEUQICLM-UHFFFAOYSA-N 1 0 394.317 2.830 20 0 GFADRO Cn1nccc1[C@@H]1[C@@H]([NH2+]Cc2cccc(Br)c2)CCC(=O)N1C ZINC000922406308 664600040 /nfs/dbraw/zinc/60/00/40/664600040.db2.gz JHSGJYFFSDPNAF-YOEHRIQHSA-N 1 0 377.286 2.634 20 0 GFADRO CSC1(CNC(=O)NC[C@@H]2CCC[C@@H](C(F)(F)F)O2)CC[NH+](C)CC1 ZINC000922530277 664605949 /nfs/dbraw/zinc/60/59/49/664605949.db2.gz WSJQLPULGDKOIQ-STQMWFEESA-N 1 0 383.480 2.613 20 0 GFADRO OC1(C2(C[NH2+]Cc3ccc(I)s3)CC2)CCOCC1 ZINC000922593907 664607655 /nfs/dbraw/zinc/60/76/55/664607655.db2.gz QPYIFNRULUFYCA-UHFFFAOYSA-N 1 0 393.290 2.764 20 0 GFADRO CO[C@@]1(C[NH2+]C/C(C)=C\c2cccc(C(F)(F)F)c2)CCS(=O)(=O)C1 ZINC000922617613 664608508 /nfs/dbraw/zinc/60/85/08/664608508.db2.gz RNBOLCCOIKWLPS-LPDYGMJQSA-N 1 0 377.428 2.902 20 0 GFADRO COc1ccc(C[NH2+]CC2(O)CCC3(CC2)OCCO3)cc1Br ZINC000922621534 664608722 /nfs/dbraw/zinc/60/87/22/664608722.db2.gz DPCPAZAGLCQCPY-UHFFFAOYSA-N 1 0 386.286 2.596 20 0 GFADRO COc1ccc(Br)c(C[NH2+]CC2(O)CCC3(CC2)OCCO3)c1 ZINC000922622631 664608846 /nfs/dbraw/zinc/60/88/46/664608846.db2.gz BCYKCFOGSABMMN-UHFFFAOYSA-N 1 0 386.286 2.596 20 0 GFADRO CS(=O)(=O)c1ccccc1CC[NH2+]Cc1ncc(Br)s1 ZINC000922681243 664610669 /nfs/dbraw/zinc/61/06/69/664610669.db2.gz ZNSGFXDKRCSLRR-UHFFFAOYSA-N 1 0 375.313 2.641 20 0 GFADRO Cc1cc(CC[NH2+]Cc2cc(Br)c3c(c2)OCCCO3)nn1C ZINC000922690700 664610780 /nfs/dbraw/zinc/61/07/80/664610780.db2.gz ZHKOJIJQWUPPMN-UHFFFAOYSA-N 1 0 380.286 2.985 20 0 GFADRO NS(=O)(=O)c1cc(C[NH2+]C[C@@H]2CCC[C@@H](C(F)(F)F)O2)ccc1Cl ZINC000922694561 664611006 /nfs/dbraw/zinc/61/10/06/664611006.db2.gz DEOONVMHJGSARU-GWCFXTLKSA-N 1 0 386.823 2.577 20 0 GFADRO O=C(N[C@@H]1CCO[C@H](c2cccs2)C1)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000922756583 664613555 /nfs/dbraw/zinc/61/35/55/664613555.db2.gz LZYAKZCQKIXKTB-UGUYLWEFSA-N 1 0 381.567 2.847 20 0 GFADRO Cc1cc(COC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)cnc1Br ZINC000922847254 664616349 /nfs/dbraw/zinc/61/63/49/664616349.db2.gz YDGKATLUEFAGDQ-CVEARBPZSA-N 1 0 397.313 2.943 20 0 GFADRO Cc1ccc(Br)c(CNC(=O)NC[C@H]2CC[N@@H+]2C2CCOCC2)c1 ZINC000922888145 664617725 /nfs/dbraw/zinc/61/77/25/664617725.db2.gz KDNJQSKFTPLYSW-MRXNPFEDSA-N 1 0 396.329 2.810 20 0 GFADRO Cn1nccc1[C@H](O)C[NH2+]Cc1cc(Br)ccc1OC(F)F ZINC000922974541 664620280 /nfs/dbraw/zinc/62/02/80/664620280.db2.gz XFWYXADTYLGGNR-GFCCVEGCSA-N 1 0 376.201 2.607 20 0 GFADRO CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C[NH2+]Cc2ccc(S(C)(=O)=O)s2)C1 ZINC000922968502 664620340 /nfs/dbraw/zinc/62/03/40/664620340.db2.gz MJHKUUYJLIAYII-QWHCGFSZSA-N 1 0 388.555 2.935 20 0 GFADRO Cc1cc(Br)cc(C[NH2+]C[C@@H](O)c2ccnn2C)c1OC(F)F ZINC000922975143 664620433 /nfs/dbraw/zinc/62/04/33/664620433.db2.gz WFFKWKBLZYZSOM-CYBMUJFWSA-N 1 0 390.228 2.916 20 0 GFADRO O[C@@H]1C[C@H]([NH2+]Cc2nc(-c3ccc(Br)cc3)c[nH]2)C12CCOCC2 ZINC000923017503 664621178 /nfs/dbraw/zinc/62/11/78/664621178.db2.gz BJRQEHNXCNFBFB-JKSUJKDBSA-N 1 0 392.297 2.859 20 0 GFADRO C[NH+](C)CCn1cc(C(=O)Nc2c[nH]c3ccc(Br)cc23)cn1 ZINC000923159126 664623240 /nfs/dbraw/zinc/62/32/40/664623240.db2.gz NVEICRFIBANMLE-UHFFFAOYSA-N 1 0 376.258 2.941 20 0 GFADRO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)c1cc(Br)cc2c1OCCO2 ZINC000923258731 664626787 /nfs/dbraw/zinc/62/67/87/664626787.db2.gz DVFFKAXRNTZMFB-QWHCGFSZSA-N 1 0 381.270 2.529 20 0 GFADRO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1CCO[C@H]1c1cncc(Br)c1 ZINC000923260659 664626898 /nfs/dbraw/zinc/62/68/98/664626898.db2.gz UFZWJZTWNWBAIM-HZMVEIRTSA-N 1 0 394.313 2.617 20 0 GFADRO C[NH+](C)C[C@@H](NC(=O)NCCO[C@H]1CCOC1)c1ccc(Cl)c(Cl)c1 ZINC000923449399 664630806 /nfs/dbraw/zinc/63/08/06/664630806.db2.gz NZDGGWLGTWODTE-XJKSGUPXSA-N 1 0 390.311 2.701 20 0 GFADRO C[NH+](C)C[C@H](NC(=O)NCCO[C@@H]1CCOC1)c1ccc(Cl)c(Cl)c1 ZINC000923449397 664630824 /nfs/dbraw/zinc/63/08/24/664630824.db2.gz NZDGGWLGTWODTE-CJNGLKHVSA-N 1 0 390.311 2.701 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)C[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923454219 664630888 /nfs/dbraw/zinc/63/08/88/664630888.db2.gz FZFVTGGCOPTAKP-HNNXBMFYSA-N 1 0 396.329 2.526 20 0 GFADRO O[C@@H](COc1ccc(Cl)cc1Br)CN1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000923458225 664630916 /nfs/dbraw/zinc/63/09/16/664630916.db2.gz NQULBFWBEBCZLS-NJZAAPMLSA-N 1 0 389.721 2.526 20 0 GFADRO C[NH+](C)CCN(Cc1ccccc1)C(=O)NCc1cnc(Br)cn1 ZINC000923526688 664632551 /nfs/dbraw/zinc/63/25/51/664632551.db2.gz SFGBZCKRQUZIJB-UHFFFAOYSA-N 1 0 392.301 2.513 20 0 GFADRO CC(C)[N@H+](C)CC1CCN(C(=O)NCc2cnc(Br)cn2)CC1 ZINC000923530158 664632786 /nfs/dbraw/zinc/63/27/86/664632786.db2.gz WLEZZQOWVKQKSE-UHFFFAOYSA-N 1 0 384.322 2.501 20 0 GFADRO O=C(CN1CC[C@]2(C1)CCCC[NH2+]2)Nc1c(F)cc(F)cc1Br ZINC000923537502 664633274 /nfs/dbraw/zinc/63/32/74/664633274.db2.gz CQJNUZVAJGPRLW-INIZCTEOSA-N 1 0 388.256 2.884 20 0 GFADRO [NH3+]CC[C@H]1CN(Cc2nnnn2-c2ccccc2Br)c2ccccc21 ZINC000923557425 664634088 /nfs/dbraw/zinc/63/40/88/664634088.db2.gz NRXTUXWUMRZFJI-ZDUSSCGKSA-N 1 0 399.296 2.877 20 0 GFADRO O=S(=O)(c1cnc(-c2ccccc2)s1)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000923635817 664634920 /nfs/dbraw/zinc/63/49/20/664634920.db2.gz HWGZPBHZONQFHU-INIZCTEOSA-N 1 0 377.535 2.963 20 0 GFADRO [NH3+]C[C@H]1CC2(CO1)CCN(S(=O)(=O)c1cc(Cl)ccc1Cl)CC2 ZINC000923687721 664635824 /nfs/dbraw/zinc/63/58/24/664635824.db2.gz ZSRSEOHEGPAZNL-GFCCVEGCSA-N 1 0 379.309 2.512 20 0 GFADRO Brc1cnc2c(c1)[C@@H]([NH2+]Cc1ccc(-n3cncn3)nc1)CCC2 ZINC000924679446 664659487 /nfs/dbraw/zinc/65/94/87/664659487.db2.gz JOKRGFMLVVCYIJ-HNNXBMFYSA-N 1 0 385.269 2.987 20 0 GFADRO CC(C)NS(=O)(=O)Cc1ccc(C[NH2+][C@H](C)C2(Br)CC2)cc1 ZINC000924780526 664661628 /nfs/dbraw/zinc/66/16/28/664661628.db2.gz GYOWJRFLDMTWNK-CYBMUJFWSA-N 1 0 389.359 2.920 20 0 GFADRO C[C@@H](NCc1cccnc1N1CC[NH+](C)CC1)c1cccc(Br)n1 ZINC000924806862 664662105 /nfs/dbraw/zinc/66/21/05/664662105.db2.gz FYLBZDQYGOAFFP-CQSZACIVSA-N 1 0 390.329 2.842 20 0 GFADRO C[C@H](C[C@@H]1CCC(=O)N1)[NH2+][C@H](C)c1cc2c(cc1Br)OCCO2 ZINC000924822869 664662352 /nfs/dbraw/zinc/66/23/52/664662352.db2.gz YHJNHULRSBZVGO-UTUOFQBUSA-N 1 0 383.286 2.928 20 0 GFADRO O=C(N[C@H]1CCC[N@@H+]2CCSC[C@H]12)N1CCC2(CC1)C(F)(F)C2(F)F ZINC000925167858 664667895 /nfs/dbraw/zinc/66/78/95/664667895.db2.gz RMRIROZKOMDRHQ-NWDGAFQWSA-N 1 0 381.439 2.642 20 0 GFADRO O=C1NCC2(CCOCC2)[C@H]1[NH2+]CCOc1c(Cl)cc(Cl)cc1Cl ZINC000925229342 664669119 /nfs/dbraw/zinc/66/91/19/664669119.db2.gz NABHJSDKWUNAPD-AWEZNQCLSA-N 1 0 393.698 2.910 20 0 GFADRO CC(C)(C)OC(=O)N[C@H]1C[C@H]2COC[C@@H](C1)[C@@H]2[NH2+]C[C@H]1CSCCS1 ZINC000925241514 664669206 /nfs/dbraw/zinc/66/92/06/664669206.db2.gz ICLKYQUVKOFZLW-XFIYOXNOSA-N 1 0 388.599 2.743 20 0 GFADRO C[C@H](CCS(C)(=O)=O)[NH2+][C@H]1C[C@@H](NC(=O)OC(C)(C)C)CC(C)(C)C1 ZINC000925276566 664669588 /nfs/dbraw/zinc/66/95/88/664669588.db2.gz OTRCZSJEBXQELO-QLFBSQMISA-N 1 0 376.563 2.871 20 0 GFADRO CC[N@@H+]1CC[C@H](N2C(=O)CN([C@@H](C)c3cccc(Br)c3)C2=O)C1 ZINC000925315654 664670551 /nfs/dbraw/zinc/67/05/51/664670551.db2.gz CVZAGTSMZUFJKN-WFASDCNBSA-N 1 0 380.286 2.869 20 0 GFADRO O=S(=O)(C(F)F)N1CCC(C[NH2+][C@@H]2CCc3c2nccc3Cl)CC1 ZINC000925395806 664671981 /nfs/dbraw/zinc/67/19/81/664671981.db2.gz HKMIIMRCTGTKGL-CYBMUJFWSA-N 1 0 379.860 2.576 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CC[NH2+][C@@H](C)C[C@@H]1CCC(=O)N1 ZINC000925405645 664672024 /nfs/dbraw/zinc/67/20/24/664672024.db2.gz PTTGWGFRTWRVBD-JSGCOSHPSA-N 1 0 382.302 2.733 20 0 GFADRO O=C1[C@H]([NH2+][C@H]2CCCc3ncc(Br)cc32)CCN1C1CCOCC1 ZINC000925489457 664672691 /nfs/dbraw/zinc/67/26/91/664672691.db2.gz ZAGSZSXXYOVWFQ-DLBZAZTESA-N 1 0 394.313 2.591 20 0 GFADRO C[C@H]([NH3+])[C@H](NC[C@@H](O)COc1ccccc1Br)c1ccccc1 ZINC000925585032 664673384 /nfs/dbraw/zinc/67/33/84/664673384.db2.gz RKLGFUUEMVHVQD-JOQOYGCGSA-N 1 0 379.298 2.867 20 0 GFADRO Cc1cc(Br)cn2cc(CCN[C@@H]3[C@H]4C[C@H]5C[NH2+][C@H]3[C@H]5C4)nc12 ZINC000925648201 664673746 /nfs/dbraw/zinc/67/37/46/664673746.db2.gz QMRVPTDQXNZJGF-XBJNOIPFSA-N 1 0 375.314 2.534 20 0 GFADRO C[C@H](N[C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2)c1ccc(Br)cc1OCCCO ZINC000925674855 664673957 /nfs/dbraw/zinc/67/39/57/664673957.db2.gz DEVWNADSOTUHEB-FBPKJDBXSA-N 1 0 395.341 2.857 20 0 GFADRO CC(C)[C@H]([NH2+]CC[C@H]1CNCCS1(=O)=O)c1cccc(C(F)(F)F)c1 ZINC000925801409 664675051 /nfs/dbraw/zinc/67/50/51/664675051.db2.gz WUFBODXXQZOWCT-HOTGVXAUSA-N 1 0 378.460 2.769 20 0 GFADRO [NH3+][C@@H]1CN(C(=O)Nc2cc3c(cc2Cl)OCCCO3)C[C@H]1C(F)(F)F ZINC000925928715 664677523 /nfs/dbraw/zinc/67/75/23/664677523.db2.gz FGLQINYOZOKDJM-PSASIEDQSA-N 1 0 379.766 2.855 20 0 GFADRO O=C(Nc1nnc(-c2ccsc2)s1)N[C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000925969663 664678400 /nfs/dbraw/zinc/67/84/00/664678400.db2.gz QCXCXTKBZSQFAJ-LBPRGKRZSA-N 1 0 379.511 2.547 20 0 GFADRO [NH3+]C[C@H]1CC2(CO1)CCN(C(=O)Nc1ccc(Br)c(F)c1)CC2 ZINC000926045646 664679780 /nfs/dbraw/zinc/67/97/80/664679780.db2.gz IMVGZEBQXDTCAS-GFCCVEGCSA-N 1 0 386.265 2.950 20 0 GFADRO O=C(Nc1ccc2cc(Br)ccc2c1)N1CCNCC[NH2+]CC1 ZINC000926071648 664680675 /nfs/dbraw/zinc/68/06/75/664680675.db2.gz NRFKGZCYDOBENJ-UHFFFAOYSA-N 1 0 377.286 2.629 20 0 GFADRO Cc1nc(Br)ccc1NC(=O)N1CC[C@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000926082204 664681305 /nfs/dbraw/zinc/68/13/05/664681305.db2.gz FSEPKXVZAHLJJD-DTWKUNHWSA-N 1 0 381.196 2.896 20 0 GFADRO [NH3+]CC[C@H]1CCN(C(=O)Nc2ccnn2Cc2ccc(Br)cc2)C1 ZINC000926099155 664681723 /nfs/dbraw/zinc/68/17/23/664681723.db2.gz REAUUUHDNQZTOA-AWEZNQCLSA-N 1 0 392.301 2.897 20 0 GFADRO [NH3+]C1CCN(CCNC(=O)Nc2nc3c(cccc3Br)s2)CC1 ZINC000926115666 664682168 /nfs/dbraw/zinc/68/21/68/664682168.db2.gz MKEKHFFVILXNEZ-UHFFFAOYSA-N 1 0 398.330 2.603 20 0 GFADRO CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NC(=O)c1ccc(C(F)(F)F)s1)C2 ZINC000926149414 664682953 /nfs/dbraw/zinc/68/29/53/664682953.db2.gz AQJHRTKVCJYMCW-MMYVAXCBSA-N 1 0 376.444 2.976 20 0 GFADRO Cc1cccc(Br)c1C(=O)N[C@@H]1C[C@@]2(C[N@@H+](C)[C@@H]2C(C)C)C[C@H]1O ZINC000926149542 664683130 /nfs/dbraw/zinc/68/31/30/664683130.db2.gz CHTVIJXPVVIJTK-LFEHRJTNSA-N 1 0 395.341 2.967 20 0 GFADRO Cc1cc(Br)ccc1C(=O)N[C@@H]1C[C@]2(C[N@@H+](C)[C@@H]2C(C)C)C[C@H]1O ZINC000926177467 664684113 /nfs/dbraw/zinc/68/41/13/664684113.db2.gz LJUUHBYLTYDAAA-YWTNHNAXSA-N 1 0 395.341 2.967 20 0 GFADRO Cc1cc(Br)oc1C(=O)N[C@@H]1C[C@]2(C[N@@H+](C)[C@@H]2C(C)C)C[C@H]1O ZINC000926185574 664684344 /nfs/dbraw/zinc/68/43/44/664684344.db2.gz ZHYJQJARWSWWDU-GADXADSLSA-N 1 0 385.302 2.560 20 0 GFADRO CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NC(=O)c3cc(Br)oc3C)C2)[C@@H]1C(C)C ZINC000926235500 664684972 /nfs/dbraw/zinc/68/49/72/664684972.db2.gz VUEPWYRHDLWWJK-AHEZYBDSSA-N 1 0 399.329 2.950 20 0 GFADRO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NC(=O)CC[C@@H]3CC3(Cl)Cl)C2)[C@@H]1C(C)C ZINC000926243114 664685107 /nfs/dbraw/zinc/68/51/07/664685107.db2.gz JLEDWVYHDICHJL-VJDWVQAOSA-N 1 0 377.356 2.946 20 0 GFADRO C[C@@H](CCCC(F)(F)F)[NH2+][C@@H](C)c1ccc(S(=O)(=O)CC(N)=O)cc1 ZINC000926279551 664686050 /nfs/dbraw/zinc/68/60/50/664686050.db2.gz OOWYJTODTIBCFN-RYUDHWBXSA-N 1 0 380.432 2.717 20 0 GFADRO C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)C(=O)N1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000926306374 664687554 /nfs/dbraw/zinc/68/75/54/664687554.db2.gz GJBRMKVXAFZUGI-JHJVBQTASA-N 1 0 386.323 2.956 20 0 GFADRO Cc1noc(C)c1[C@H](C)[NH2+]CCNS(=O)(=O)c1ccc(Cl)cc1F ZINC000926357544 664688623 /nfs/dbraw/zinc/68/86/23/664688623.db2.gz PRCCQWPXINJQDU-VIFPVBQESA-N 1 0 375.853 2.713 20 0 GFADRO C[C@H](C[C@@H]1CCC(=O)N1)[NH2+][C@@H](C)c1ccc(Br)cc1OCCCO ZINC000926467048 664690165 /nfs/dbraw/zinc/69/01/65/664690165.db2.gz LRBSXLHQYPNLJV-IPYPFGDCSA-N 1 0 399.329 2.918 20 0 GFADRO C[C@H]([NH2+]C[C@@H](OC1CCCC1)C(F)(F)F)C1CCN(S(C)(=O)=O)CC1 ZINC000926688537 664695454 /nfs/dbraw/zinc/69/54/54/664695454.db2.gz FTXQXBYGIJLDLJ-SWLSCSKDSA-N 1 0 386.480 2.526 20 0 GFADRO O=C1NCC2(CCOCC2)[C@H]1[NH2+][C@@H]1CSCc2ccc(Br)cc21 ZINC000926700075 664695609 /nfs/dbraw/zinc/69/56/09/664695609.db2.gz NCYJFISDLPQODT-CABCVRRESA-N 1 0 397.338 2.622 20 0 GFADRO CN(C)S(=O)(=O)Cc1ccc(C[NH2+][C@@H]2CCc3c2nccc3Cl)cc1 ZINC000926883262 664698480 /nfs/dbraw/zinc/69/84/80/664698480.db2.gz MVHOTSFONPFAKG-QGZVFWFLSA-N 1 0 379.913 2.904 20 0 GFADRO CNS(=O)(=O)c1cccc([C@H](C)[NH2+]CC[C@H]2CC[C@H](C(F)(F)F)O2)c1 ZINC000926911557 664699010 /nfs/dbraw/zinc/69/90/10/664699010.db2.gz MYXZFSQXDPLKIW-NJZAAPMLSA-N 1 0 380.432 2.745 20 0 GFADRO COc1cc([C@@H](C)[NH2+]CCc2nc3c(s2)CCC3)ccc1S(C)(=O)=O ZINC000926933201 664699228 /nfs/dbraw/zinc/69/92/28/664699228.db2.gz FCJUQMBJHDLPDK-GFCCVEGCSA-N 1 0 380.535 2.937 20 0 GFADRO CC(C)(C[NH2+][C@H]1CCCc2ncc(Br)cc21)CS(C)(=O)=O ZINC000926949213 664699332 /nfs/dbraw/zinc/69/93/32/664699332.db2.gz JEVSVMBEHIWBRB-AWEZNQCLSA-N 1 0 375.332 2.882 20 0 GFADRO CS(=O)(=O)C[C@H](O)C[NH2+][C@H](c1ccc(Br)cc1Cl)C1CC1 ZINC000927027318 664702346 /nfs/dbraw/zinc/70/23/46/664702346.db2.gz TZJKWTHTTQVSQA-RISCZKNCSA-N 1 0 396.734 2.549 20 0 GFADRO CC[C@@H]([NH2+]C[C@H](O)c1ccnn1C)c1ccc(I)cc1 ZINC000927132313 664704965 /nfs/dbraw/zinc/70/49/65/664704965.db2.gz LIWXCARFJLEKOL-HIFRSBDPSA-N 1 0 385.249 2.799 20 0 GFADRO C[C@H]([NH2+][C@H]1CCc2nnn(C)c2C1)c1ccc(I)cc1 ZINC000927144989 664705160 /nfs/dbraw/zinc/70/51/60/664705160.db2.gz HSIOVIXCIQTNRI-GWCFXTLKSA-N 1 0 382.249 2.628 20 0 GFADRO Cn1nnc2c1C[C@H]([NH2+][C@H](c1ccc(Br)cc1)[C@@H]1CCCO1)CC2 ZINC000927147430 664705211 /nfs/dbraw/zinc/70/52/11/664705211.db2.gz SBVKEIYXFPWASA-FHLIZLRMSA-N 1 0 391.313 2.945 20 0 GFADRO O=C([C@@H]1CC[C@@H]2CCCC[N@@H+]21)N1CCC[C@@H]1c1ncc(Br)cn1 ZINC000928358770 664730146 /nfs/dbraw/zinc/73/01/46/664730146.db2.gz UKKFEKLJPCWZHA-ZNMIVQPWSA-N 1 0 379.302 2.920 20 0 GFADRO CCOc1cc(Br)c(CC(=O)NC[C@@H]2CC[N@@H+]2C)cc1OCC ZINC000928568592 664735113 /nfs/dbraw/zinc/73/51/13/664735113.db2.gz PCWJKFPDAVDYLN-ZDUSSCGKSA-N 1 0 385.302 2.609 20 0 GFADRO Cc1ccc(Br)nc1C(=O)N[C@H](CC[NH+](C)C)c1cccnc1 ZINC000928835129 664740639 /nfs/dbraw/zinc/74/06/39/664740639.db2.gz WYFXNYTWVVKYIH-CQSZACIVSA-N 1 0 377.286 2.970 20 0 GFADRO C[C@H](CC(=O)N[C@@H](CC[NH+](C)C)c1cccnc1)n1cc(Br)cn1 ZINC000928831935 664740661 /nfs/dbraw/zinc/74/06/61/664740661.db2.gz PMCMSUAIVLNUTH-CJNGLKHVSA-N 1 0 394.317 2.801 20 0 GFADRO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)C1(n2cc(Br)cn2)CC1 ZINC000929342676 664750723 /nfs/dbraw/zinc/75/07/23/664750723.db2.gz HAFNQFPRMVVLBS-CQSZACIVSA-N 1 0 393.285 2.681 20 0 GFADRO CCC[NH+]1CCC(NC(=O)C[C@H]2C(=O)Nc3c2cccc3Br)CC1 ZINC000929407524 664751805 /nfs/dbraw/zinc/75/18/05/664751805.db2.gz INUIYCMAQZNNOD-CQSZACIVSA-N 1 0 394.313 2.866 20 0 GFADRO CCC[NH+]1CCC(NC(=O)C[C@H]2C(=O)Nc3ccc(Br)cc32)CC1 ZINC000929408119 664751817 /nfs/dbraw/zinc/75/18/17/664751817.db2.gz OMNPATUFKFMMRT-OAHLLOKOSA-N 1 0 394.313 2.866 20 0 GFADRO CCC[NH+]1CCC(NC(=O)[C@@](C)(O)c2ccc(F)c(Br)c2)CC1 ZINC000929407211 664751818 /nfs/dbraw/zinc/75/18/18/664751818.db2.gz BSMATUDTOFBHTJ-KRWDZBQOSA-N 1 0 387.293 2.786 20 0 GFADRO CC(C)[NH+]1CCC(NC(=O)C[C@@H]2C(=O)Nc3ccc(Br)cc32)CC1 ZINC000929436988 664752484 /nfs/dbraw/zinc/75/24/84/664752484.db2.gz ZTSJAQMZQOAHSS-HNNXBMFYSA-N 1 0 394.313 2.864 20 0 GFADRO CC(C)[NH+]1CCC(NC(=O)C[C@H]2C(=O)Nc3ccc(Br)cc32)CC1 ZINC000929436990 664752499 /nfs/dbraw/zinc/75/24/99/664752499.db2.gz ZTSJAQMZQOAHSS-OAHLLOKOSA-N 1 0 394.313 2.864 20 0 GFADRO COc1ccc(NC(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)c(Br)c1 ZINC000930140778 664763161 /nfs/dbraw/zinc/76/31/61/664763161.db2.gz FXKGLPYWTSUTBZ-HOTGVXAUSA-N 1 0 398.301 2.521 20 0 GFADRO CC(C)(C)NS(=O)(=O)C1([C@H](O)C[NH2+][C@@H](c2cccs2)C2CC2)CCC1 ZINC000930187016 664764232 /nfs/dbraw/zinc/76/42/32/664764232.db2.gz AIBPLVPXQZSBHH-HZPDHXFCSA-N 1 0 386.583 2.790 20 0 GFADRO C[C@H]([NH2+]Cc1ccc(Br)nc1N)c1ccc2c(c1)CC(=O)N2C ZINC000930214999 664764709 /nfs/dbraw/zinc/76/47/09/664764709.db2.gz DKEZYNCAGGYYOV-JTQLQIEISA-N 1 0 375.270 2.796 20 0 GFADRO CC[NH+]1CCN(CCCNC(=O)c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000930219334 664764793 /nfs/dbraw/zinc/76/47/93/664764793.db2.gz XXQCASGIQWXZHJ-UHFFFAOYSA-N 1 0 378.826 2.511 20 0 GFADRO Cn1cc(C2=NC[C@@H](C[NH2+][C@H](CCO)c3ccc(Cl)c(Cl)c3)O2)cn1 ZINC000930458787 664771070 /nfs/dbraw/zinc/77/10/70/664771070.db2.gz YVLFDSZFENDHRD-CZUORRHYSA-N 1 0 383.279 2.586 20 0 GFADRO Cc1nnc(CC[NH2+][C@@H](C)c2ccc(Br)cc2OCCCO)o1 ZINC000930533030 664772545 /nfs/dbraw/zinc/77/25/45/664772545.db2.gz ZSRGUNNPWIPCGL-NSHDSACASA-N 1 0 384.274 2.795 20 0 GFADRO Cc1ccc([C@H](CNC(=O)c2cc(=O)[nH]cc2Br)[NH+](C)C)cc1 ZINC000930914377 664780752 /nfs/dbraw/zinc/78/07/52/664780752.db2.gz UOKIAXXAODRLMY-HNNXBMFYSA-N 1 0 378.270 2.891 20 0 GFADRO CC(C)[N@@H+]1CC[C@H](CNC(=O)c2cc(Br)c3nccnc3c2)C1 ZINC000930946377 664781761 /nfs/dbraw/zinc/78/17/61/664781761.db2.gz XYJYVOYGHLKDDQ-GFCCVEGCSA-N 1 0 377.286 2.852 20 0 GFADRO CN1CCN(C(=O)Nc2cccc(Cl)c2Br)CC[N@H+](C)CC1 ZINC000931077675 664784761 /nfs/dbraw/zinc/78/47/61/664784761.db2.gz DAKLGMRKXOWCFA-UHFFFAOYSA-N 1 0 389.725 2.814 20 0 GFADRO CN(Cc1ccccc1Br)C(=O)CN1CCC(C)([NH+](C)C)CC1 ZINC000931348158 664792321 /nfs/dbraw/zinc/79/23/21/664792321.db2.gz GRBFFZMZXTVOAV-UHFFFAOYSA-N 1 0 382.346 2.824 20 0 GFADRO CSC1(CNC(=O)Nc2c(C(F)(F)F)c(C)nn2C)CC[NH+](C)CC1 ZINC000931362946 664792594 /nfs/dbraw/zinc/79/25/94/664792594.db2.gz JLPWQCGESAKGQB-UHFFFAOYSA-N 1 0 379.452 2.696 20 0 GFADRO C[N@@H+](C[C@@H](O)COc1cc(Cl)cc(Cl)c1)C[C@@H](O)CCC1(O)CCC1 ZINC000931381289 664793221 /nfs/dbraw/zinc/79/32/21/664793221.db2.gz YHIZRMLTPDZBRO-JKSUJKDBSA-N 1 0 392.323 2.721 20 0 GFADRO CNC(=O)c1cccc(NC(=O)N2CCC23CC[NH+](C)CC3)c1Br ZINC000931406940 664794146 /nfs/dbraw/zinc/79/41/46/664794146.db2.gz TYDRZFNKMOPRRT-UHFFFAOYSA-N 1 0 395.301 2.511 20 0 GFADRO O=C(N[C@@H](c1nccs1)C(F)(F)F)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000931558372 664798829 /nfs/dbraw/zinc/79/88/29/664798829.db2.gz UDDJGEWIZBVOHD-MXWKQRLJSA-N 1 0 380.461 2.626 20 0 GFADRO Cc1ncc(Br)cc1NC(=O)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000931643557 664801354 /nfs/dbraw/zinc/80/13/54/664801354.db2.gz QSNAWGDYWVZGQL-AWEZNQCLSA-N 1 0 383.290 2.527 20 0 GFADRO C[NH+](C)C[C@H]1CCCN1C(=O)c1cnn(Cc2ccccc2)c1Br ZINC000931661814 664802033 /nfs/dbraw/zinc/80/20/33/664802033.db2.gz HLJFOBYLUFVEFH-OAHLLOKOSA-N 1 0 391.313 2.860 20 0 GFADRO CC[NH+]1CCC(NC(=O)CN2CCc3ccc(Br)c(F)c3C2)CC1 ZINC000932015933 664808913 /nfs/dbraw/zinc/80/89/13/664808913.db2.gz WJXFQGYZQZNUHH-UHFFFAOYSA-N 1 0 398.320 2.547 20 0 GFADRO C[C@@]1([C@@H]2CCC[N@H+](CC(=O)Nc3ccc(Br)cc3)C2)COC(=O)N1 ZINC000932025169 664809046 /nfs/dbraw/zinc/80/90/46/664809046.db2.gz XFNYOZFMDYNYOI-PXAZEXFGSA-N 1 0 396.285 2.598 20 0 GFADRO O=C(Nc1cccc(F)c1Br)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000932420666 664822089 /nfs/dbraw/zinc/82/20/89/664822089.db2.gz DUSXIXKBOIQIBM-KBPBESRZSA-N 1 0 386.265 2.651 20 0 GFADRO Cc1[nH]nc(Br)c1C(=O)N(Cc1ccco1)C1CC[NH+](C)CC1 ZINC000932693411 664832036 /nfs/dbraw/zinc/83/20/36/664832036.db2.gz MEMIIJSTBFGITB-UHFFFAOYSA-N 1 0 381.274 2.810 20 0 GFADRO COc1cc(Br)cc(C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC000932696305 664832211 /nfs/dbraw/zinc/83/22/11/664832211.db2.gz DUJFYCWOXQNMRT-INIZCTEOSA-N 1 0 397.313 2.831 20 0 GFADRO Cc1ncc(NC(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)c(C)c1Br ZINC000932769187 664836225 /nfs/dbraw/zinc/83/62/25/664836225.db2.gz VJCNKXWDKAOQMG-CQSZACIVSA-N 1 0 397.317 2.836 20 0 GFADRO Cc1ncc(NC(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)c(C)c1Br ZINC000932781779 664838001 /nfs/dbraw/zinc/83/80/01/664838001.db2.gz MKFIXZDWXFUAOX-CQSZACIVSA-N 1 0 397.317 2.647 20 0 GFADRO O=C1N[C@@H](C2CC[NH+](C[C@@H](O)COc3c(Cl)cccc3Cl)CC2)CO1 ZINC000932784390 664838334 /nfs/dbraw/zinc/83/83/34/664838334.db2.gz JNQUNRXZCRMONT-IUODEOHRSA-N 1 0 389.279 2.554 20 0 GFADRO O[C@]1(c2ccc(Br)cc2)CCC[N@H+](CCOC2CCOCC2)C1 ZINC000932814124 664839647 /nfs/dbraw/zinc/83/96/47/664839647.db2.gz DVHUPDTUHUHEMA-GOSISDBHSA-N 1 0 384.314 2.928 20 0 GFADRO CCn1nnc(C)c1C[N@@H+]1CCC[C@@](O)(c2ccc(Br)cc2)C1 ZINC000932816072 664840183 /nfs/dbraw/zinc/84/01/83/664840183.db2.gz SKBDNCLYZBZGFI-KRWDZBQOSA-N 1 0 379.302 2.853 20 0 GFADRO O=C1NC[C@H](O)CC12CC[NH+](Cc1ccc(Cl)cc1Br)CC2 ZINC000932831939 664841445 /nfs/dbraw/zinc/84/14/45/664841445.db2.gz VEMGGNVBBLQSSD-CYBMUJFWSA-N 1 0 387.705 2.566 20 0 GFADRO O=C1NC[C@@H](O)CC12CC[NH+](Cc1cc(Br)ccc1Cl)CC2 ZINC000932840714 664841459 /nfs/dbraw/zinc/84/14/59/664841459.db2.gz GFCLLQYZCBBHBY-ZDUSSCGKSA-N 1 0 387.705 2.566 20 0 GFADRO COc1ncc(NC(=O)N2CC[C@@H]([NH+]3CCCC3)C2)c(C)c1Br ZINC000932941999 664843579 /nfs/dbraw/zinc/84/35/79/664843579.db2.gz CAJWDWDNOMGPPW-GFCCVEGCSA-N 1 0 383.290 2.863 20 0 GFADRO Cc1ccc(Br)c2[nH]c(C(=O)NCCC[NH+]3CCC(O)CC3)cc21 ZINC000933133688 664850579 /nfs/dbraw/zinc/85/05/79/664850579.db2.gz IGSQSCLGOJRNHO-UHFFFAOYSA-N 1 0 394.313 2.815 20 0 GFADRO O=C(C/C=C\c1ccc(Br)cc1)NCCC[NH+]1CCC(O)CC1 ZINC000933133795 664850603 /nfs/dbraw/zinc/85/06/03/664850603.db2.gz INQHANPCLPPJHX-IWQZZHSRSA-N 1 0 381.314 2.815 20 0 GFADRO Cc1ccc2[nH]c(C(=O)N[C@@H](C)[C@@H]3C[N@H+](C)CCN3C)cc2c1Br ZINC000933387444 664861502 /nfs/dbraw/zinc/86/15/02/664861502.db2.gz OJKXNGRQVADJIQ-LRDDRELGSA-N 1 0 393.329 2.603 20 0 GFADRO C[C@H]1C[C@@H](N(C)C(=O)c2cc(Br)c3nccnc3c2)CC[N@@H+]1C ZINC000933440214 664864391 /nfs/dbraw/zinc/86/43/91/664864391.db2.gz BSCGJMRFLUPTPB-AAEUAGOBSA-N 1 0 377.286 2.947 20 0 GFADRO C[C@](CO)(Cc1ccc(F)cc1)[NH2+]CC(=O)Nc1ccc(Br)cn1 ZINC000933440580 664864445 /nfs/dbraw/zinc/86/44/45/664864445.db2.gz GCAGYFUISZBODW-QGZVFWFLSA-N 1 0 396.260 2.505 20 0 GFADRO NS(=O)(=O)c1ccc(C2CC[NH+](CCSc3ccncc3)CC2)cc1 ZINC000933550711 664868914 /nfs/dbraw/zinc/86/89/14/664868914.db2.gz VONRLURDTCGWAJ-UHFFFAOYSA-N 1 0 377.535 2.701 20 0 GFADRO O=C(CC[N@@H+]1CCOC[C@H]1C[C@@H]1CCOC1)Nc1ccccc1Br ZINC000933664448 664871821 /nfs/dbraw/zinc/87/18/21/664871821.db2.gz CLMFIOMKWJGCLA-LSDHHAIUSA-N 1 0 397.313 2.905 20 0 GFADRO CC[NH+](CC)C[C@@H]1CCN(C(=O)c2cnn3cccc(Br)c23)C1 ZINC000933770595 664877672 /nfs/dbraw/zinc/87/76/72/664877672.db2.gz LXCNZEHWBADUPN-ZDUSSCGKSA-N 1 0 379.302 2.901 20 0 GFADRO CCOC(=O)C1([C@@H](C)[NH2+]Cc2ncc(Br)cc2F)CCOCC1 ZINC000933876246 664879571 /nfs/dbraw/zinc/87/95/71/664879571.db2.gz IGXCXFOKCSPDJE-LLVKDONJSA-N 1 0 389.265 2.821 20 0 GFADRO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)c2cnn3cccc(Br)c23)C1 ZINC000933943433 664882487 /nfs/dbraw/zinc/88/24/87/664882487.db2.gz FJBMUBHASCCZRH-CQSZACIVSA-N 1 0 391.313 2.901 20 0 GFADRO CCOC(=O)[C@@H]1[C@H](C)C[C@H](C)[N@H+](C[C@@H](O)P(=O)(OCC)OCC)[C@H]1C ZINC000934166219 664891362 /nfs/dbraw/zinc/89/13/62/664891362.db2.gz NCQQIUFPWSYKBW-OLMNGRFOSA-N 1 0 379.434 2.869 20 0 GFADRO O=C(CC[N@H+]1CC[C@H]2[C@H]1CCCN2CCO)Nc1cc(Cl)ccc1Cl ZINC000934264766 664895655 /nfs/dbraw/zinc/89/56/55/664895655.db2.gz PEXYTSQREUEAAK-SJORKVTESA-N 1 0 386.323 2.853 20 0 GFADRO Cc1cc(C(=O)NCCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cnc1Br ZINC000934307791 664898124 /nfs/dbraw/zinc/89/81/24/664898124.db2.gz DLVFAJMUNDHTDC-OKILXGFUSA-N 1 0 384.318 2.772 20 0 GFADRO CN(C)[C@@H](CNC(=O)Nc1c(Br)cnn1C1CC1)c1ccco1 ZINC000934378313 664904778 /nfs/dbraw/zinc/90/47/78/664904778.db2.gz TYKOZPKJCBAMJU-LBPRGKRZSA-N 1 0 382.262 2.998 20 0 GFADRO C[C@](O)(C[NH2+][C@@H]1CCOC12CCOCC2)c1ccc(Br)cc1F ZINC000934404042 664905945 /nfs/dbraw/zinc/90/59/45/664905945.db2.gz XMDOTAQBVFCYSR-CVEARBPZSA-N 1 0 388.277 2.723 20 0 GFADRO O[C@H](C[NH2+][C@@H]1CCOC12CCOCC2)COc1ccc(Cl)cc1Cl ZINC000934410556 664906113 /nfs/dbraw/zinc/90/61/13/664906113.db2.gz RLNAEIBRCDECLP-CZUORRHYSA-N 1 0 376.280 2.661 20 0 GFADRO O[C@H](C[NH2+][C@H]1CCOC12CCOCC2)COc1ccc(Cl)c(Cl)c1 ZINC000934411421 664906528 /nfs/dbraw/zinc/90/65/28/664906528.db2.gz YYFNIYKKTZWLPB-WBMJQRKESA-N 1 0 376.280 2.661 20 0 GFADRO C[C@@](CO)([NH2+]Cc1ccc(S(C)(=O)=O)cc1)c1cccc(Br)c1 ZINC000934496633 664908854 /nfs/dbraw/zinc/90/88/54/664908854.db2.gz XNGBAYBQUVGQNC-KRWDZBQOSA-N 1 0 398.322 2.850 20 0 GFADRO CSCC(C)(C)[NH2+]CC(=O)Nc1ccccc1I ZINC000934676171 664914572 /nfs/dbraw/zinc/91/45/72/664914572.db2.gz SZTNFUCBBKZHEI-UHFFFAOYSA-N 1 0 378.279 2.961 20 0 GFADRO CCc1ccc(Br)cc1C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000934723308 664915544 /nfs/dbraw/zinc/91/55/44/664915544.db2.gz BMBAIRJINYGISX-INIZCTEOSA-N 1 0 381.314 2.995 20 0 GFADRO OC[C@H]([NH2+]C[C@H](O)Cc1ccccc1)c1ccccc1I ZINC000934826893 664924591 /nfs/dbraw/zinc/92/45/91/664924591.db2.gz HMPHNZARXCPIBZ-PBHICJAKSA-N 1 0 397.256 2.518 20 0 GFADRO OC[C@@H]([NH2+]CCCCCn1cccn1)c1ccccc1I ZINC000934830441 664926484 /nfs/dbraw/zinc/92/64/84/664926484.db2.gz ZJJIMMVZVQARHT-MRXNPFEDSA-N 1 0 399.276 2.981 20 0 GFADRO O=C(NCCCC[N@H+]1CCC[C@H]1CO)c1ncc(C(F)(F)F)cc1Cl ZINC000934954242 664931601 /nfs/dbraw/zinc/93/16/01/664931601.db2.gz OLMPLKCWJYCLST-LBPRGKRZSA-N 1 0 379.810 2.721 20 0 GFADRO C[C@H](NC(=O)COC1CC[NH+](C)CC1)[C@@H](O)c1c(Cl)cccc1Cl ZINC000934957207 664931830 /nfs/dbraw/zinc/93/18/30/664931830.db2.gz KDSNCIAFCDPROK-APPDUMDISA-N 1 0 375.296 2.642 20 0 GFADRO C[N@H+](CCCO)C1CCN(C(=O)c2cnc(CCC(F)(F)F)s2)CC1 ZINC000935106266 664940064 /nfs/dbraw/zinc/94/00/64/664940064.db2.gz FHNLLJGYXPXZMF-UHFFFAOYSA-N 1 0 379.448 2.557 20 0 GFADRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)c1cnn2cccc(Br)c12 ZINC000935150664 664942915 /nfs/dbraw/zinc/94/29/15/664942915.db2.gz FQTDTXIJHCUHKU-LBPRGKRZSA-N 1 0 379.302 2.899 20 0 GFADRO COc1cc(Br)ccc1CCCNC(=O)COC1CC[NH+](C)CC1 ZINC000935350309 664955810 /nfs/dbraw/zinc/95/58/10/664955810.db2.gz DVXWKPPMAXGCGC-UHFFFAOYSA-N 1 0 399.329 2.617 20 0 GFADRO CC1=CC[N@H+](CCNC(=O)C[C@H]2C(=O)Nc3ccc(Br)cc32)CC1 ZINC000935395544 664958883 /nfs/dbraw/zinc/95/88/83/664958883.db2.gz KNAMHFPYZPRAHG-OAHLLOKOSA-N 1 0 392.297 2.643 20 0 GFADRO C[NH+](C)[C@H]1CCCN(C(=O)C[C@@H]2C(=O)Nc3ccc(Br)cc32)CC1 ZINC000935652361 664978103 /nfs/dbraw/zinc/97/81/03/664978103.db2.gz NXEBCBYLMNNDHX-ZFWWWQNUSA-N 1 0 394.313 2.818 20 0 GFADRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1ccc2c(Br)cnn2c1 ZINC000935940659 665000298 /nfs/dbraw/zinc/00/02/98/665000298.db2.gz PHBRIUNSCUDKNH-TZMCWYRMSA-N 1 0 377.286 2.796 20 0 GFADRO C[C@@H]1CCN(c2ncnc3cccc(I)c32)[C@@H](C[NH3+])C1 ZINC000957128491 665013234 /nfs/dbraw/zinc/01/32/34/665013234.db2.gz WBFGRQREDNIWCS-GHMZBOCLSA-N 1 0 382.249 2.798 20 0 GFADRO O=C([C@@H]1C[C@H]2CC[C@@H]1O2)N1CC[C@@H]([NH2+]Cc2ccccc2Br)C1 ZINC000970034915 665014887 /nfs/dbraw/zinc/01/48/87/665014887.db2.gz ZWGRQHQKFYPJHB-ANQUJSFKSA-N 1 0 379.298 2.707 20 0 GFADRO O=C([C@@H]1C[C@H]2CC[C@@H]1O2)N1CC[C@@H]([NH2+]Cc2cccc(Br)c2)C1 ZINC000970033031 665014953 /nfs/dbraw/zinc/01/49/53/665014953.db2.gz CWVBDMAQLIFJTN-VQHPVUNQSA-N 1 0 379.298 2.707 20 0 GFADRO C[C@@H]1[C@H](C(=O)NC[C@H]2CC[C@@H](NC(=O)c3sccc3Cl)C2)CC[N@@H+]1C ZINC000981466536 665018196 /nfs/dbraw/zinc/01/81/96/665018196.db2.gz GQBPJXWAMFNAJF-XJFOESAGSA-N 1 0 383.945 2.756 20 0 GFADRO C[NH+]1CCC(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2cscc2Cl)C3)CC1 ZINC000997468161 665036401 /nfs/dbraw/zinc/03/64/01/665036401.db2.gz QTSBYAKCDYLNQN-KCXAZCMYSA-N 1 0 381.929 2.605 20 0 GFADRO C[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)c2csc(Cl)c2)CC1 ZINC000997888909 665037878 /nfs/dbraw/zinc/03/78/78/665037878.db2.gz XLHDYNMYRHKDQG-ILXRZTDVSA-N 1 0 381.929 2.605 20 0 GFADRO C[C@@H]1CCC[N@@H+]1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccc(Cl)s1 ZINC001000460997 665046618 /nfs/dbraw/zinc/04/66/18/665046618.db2.gz SXGJNPGDUVAKGA-MQYQWHSLSA-N 1 0 381.929 2.748 20 0 GFADRO C[C@@H]1[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2cc(Cl)cs2)CC[N@@H+]1C ZINC001003134815 665058878 /nfs/dbraw/zinc/05/88/78/665058878.db2.gz YSGWUMLVCLXSGL-GZENYHORSA-N 1 0 381.929 2.603 20 0 GFADRO O=C([C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)N1CCC[C@@H](C[NH2+]Cc2cnc(Cl)s2)C1 ZINC001024068808 665074267 /nfs/dbraw/zinc/07/42/67/665074267.db2.gz XQIRAPWDCVNAHG-JWTRZGPZSA-N 1 0 381.929 2.548 20 0 GFADRO Cn1ncc(Br)c1C[NH2+][C@H]1C[C@H](NC(=O)OC(C)(C)C)C1(C)C ZINC000397868814 677411933 /nfs/dbraw/zinc/41/19/33/677411933.db2.gz DYBRCYQULAYRDU-STQMWFEESA-N 1 0 387.322 2.964 20 0 GFADRO C[C@H](C(=O)Nc1cccc(Br)c1)N1CCC([N@H+](C)CCCO)CC1 ZINC000115547543 677395345 /nfs/dbraw/zinc/39/53/45/677395345.db2.gz VAGFXTZRXFMYBA-CQSZACIVSA-N 1 0 398.345 2.555 20 0 GFADRO C[NH2+]CCN(C)C(=O)c1ccccc1N(C)C(=O)c1ccc(Br)o1 ZINC000120396754 677395874 /nfs/dbraw/zinc/39/58/74/677395874.db2.gz YAEBEKZRHPQIOQ-UHFFFAOYSA-N 1 0 394.269 2.610 20 0 GFADRO CCN1CC[NH+](CCCCNC(=O)c2cc(Br)ccc2OC)CC1 ZINC000120464520 677396124 /nfs/dbraw/zinc/39/61/24/677396124.db2.gz SANKTMVGEDNDQP-UHFFFAOYSA-N 1 0 398.345 2.605 20 0 GFADRO COC[C@H](C)NC(=S)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000138798309 677401118 /nfs/dbraw/zinc/40/11/18/677401118.db2.gz GNRUMRZEYNTYDE-ZDUSSCGKSA-N 1 0 388.375 2.722 20 0 GFADRO C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1NC(=O)c1ccc(S(=O)(=O)c2ccccc2)s1 ZINC000579581612 677673432 /nfs/dbraw/zinc/67/34/32/677673432.db2.gz KYSNZARRTJHWBJ-IIYDPXPESA-N 1 0 378.519 2.697 20 0 GFADRO FC(F)(c1ccc(-c2cc(Cl)ncn2)cc1)N1CC[C@@H]2[NH2+]CCO[C@H]2C1 ZINC001164389025 718822582 /nfs/dbraw/zinc/82/25/82/718822582.db2.gz GHTXJLLXFOPJRN-HOCLYGCPSA-N 1 0 380.826 2.909 20 0 GFADRO FC(F)(Oc1ccc2nc(Cl)c(Cl)nc2c1)N1CCOCC12C[NH2+]C2 ZINC001164407210 718860156 /nfs/dbraw/zinc/86/01/56/718860156.db2.gz XSCNKCDEWLRATR-UHFFFAOYSA-N 1 0 391.205 2.540 20 0 GFADRO FC(F)(c1cnc(Cl)c(Cl)c1)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001164414942 718884783 /nfs/dbraw/zinc/88/47/83/718884783.db2.gz BFVYZBIJPYVVNT-UHFFFAOYSA-N 1 0 389.237 2.624 20 0 GFADRO CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN([C@@H](F)c1ccnc(Cl)c1)C2 ZINC001164434810 718969113 /nfs/dbraw/zinc/96/91/13/718969113.db2.gz VSUDHSWGVWXEEO-YUELXQCFSA-N 1 0 395.784 2.720 20 0 GFADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@H]3C[C@@H](C2)[C@H](C(=O)OCC)N3)nc1 ZINC001164615491 719004109 /nfs/dbraw/zinc/00/41/09/719004109.db2.gz HBLSAIVSHYDEIX-QEUVDIPISA-N 1 0 386.540 2.748 20 0 GFADRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(F)(F)c1ccc(Cl)nc1Cl ZINC001164620287 719012228 /nfs/dbraw/zinc/01/22/28/719012228.db2.gz YEHOVKNWPDQLLN-INTQDDNPSA-N 1 0 380.222 2.663 20 0 GFADRO CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@@H]2N1C(F)(F)c1ccnc(Cl)c1Cl ZINC001164617117 719012883 /nfs/dbraw/zinc/01/28/83/719012883.db2.gz MIDGEXFJIIBVLX-MIMYLULJSA-N 1 0 380.222 2.663 20 0 GFADRO CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@@H]2N1C(F)(F)c1ccc2cnc(Cl)nc2c1 ZINC001164614670 719015593 /nfs/dbraw/zinc/01/55/93/719015593.db2.gz GBDNIOPNSNQHLI-UGFHNGPFSA-N 1 0 396.825 2.558 20 0 GFADRO CON(C)C(=O)c1cccnc1N1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001164628135 719090425 /nfs/dbraw/zinc/09/04/25/719090425.db2.gz MCNFDUGRKSBSCC-UYAOXDASSA-N 1 0 380.492 2.816 20 0 GFADRO NC(=O)c1cc(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)nc(C2CC2)n1 ZINC001164622576 719113824 /nfs/dbraw/zinc/11/38/24/719113824.db2.gz CDHOGGGNFOUBGT-HKUYNNGSSA-N 1 0 377.492 2.554 20 0 GFADRO [NH3+]C1([C@@H]2CN(C(F)(F)c3nc(Cl)cc(N4CCCC4)n3)C[C@@H]2CF)CC1 ZINC001164630402 719115952 /nfs/dbraw/zinc/11/59/52/719115952.db2.gz VZWCSVYVNQVTPS-NWDGAFQWSA-N 1 0 389.853 2.788 20 0 GFADRO COC(=O)c1cnc(Cl)c(C(F)(F)N2C[C@H](CF)[C@@H](C3([NH3+])CC3)C2)c1 ZINC001164622562 719121293 /nfs/dbraw/zinc/12/12/93/719121293.db2.gz PJNPBYIKESSWFG-JQWIXIFHSA-N 1 0 377.794 2.580 20 0 GFADRO Cc1sc2nc(-c3cccnc3)nc(N3C[C@H]4OCC[N@@H+](C)[C@H]4C3)c2c1C ZINC001164669255 719440881 /nfs/dbraw/zinc/44/08/81/719440881.db2.gz LKGWGFJHOUBZKS-JKSUJKDBSA-N 1 0 381.505 2.889 20 0 GFADRO CCN(CC)Cc1nc2sc(C)c(C)c2c(N2C[C@H]3OCC[N@H+](C)[C@H]3C2)n1 ZINC001164673192 719443117 /nfs/dbraw/zinc/44/31/17/719443117.db2.gz STRVFGMHRVVJBD-JKSUJKDBSA-N 1 0 389.569 2.669 20 0 GFADRO C[N@@H+]1CCO[C@H]2CN(c3ncnc4cc(OCc5ccccc5)ccc43)C[C@H]21 ZINC001164669452 719478399 /nfs/dbraw/zinc/47/83/99/719478399.db2.gz UYVWOXMBDPCASQ-RTWAWAEBSA-N 1 0 376.460 2.728 20 0 GFADRO CC(C)c1noc(-c2ccnc(-n3nc(CN(C)C(C)C)c4c3C[NH2+]CC4)c2)n1 ZINC001164679470 719645750 /nfs/dbraw/zinc/64/57/50/719645750.db2.gz BOQXWGMSOKZUTP-UHFFFAOYSA-N 1 0 395.511 2.927 20 0 GFADRO COC(=O)c1cncnc1N1CCC2(CCC[N@@H+]2Cc2csc(C)n2)CC1 ZINC001164691981 719808946 /nfs/dbraw/zinc/80/89/46/719808946.db2.gz DGIKXZCTNYZTNJ-UHFFFAOYSA-N 1 0 387.509 2.663 20 0 GFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ncc(C)c(NCC3CC3)n1)C2 ZINC001164806401 720066662 /nfs/dbraw/zinc/06/66/62/720066662.db2.gz CBXUKAHJECFEQX-DENIHFKCSA-N 1 0 385.556 2.792 20 0 GFADRO CCOC(=O)/C=C\c1cccnc1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COC ZINC001164815793 720074998 /nfs/dbraw/zinc/07/49/98/720074998.db2.gz ZQHZXJYTLUEACO-GMJYNUCRSA-N 1 0 399.535 2.843 20 0 GFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cc(C(=O)OC)cc(Cl)n1)C2 ZINC001164815392 720076971 /nfs/dbraw/zinc/07/69/71/720076971.db2.gz YXIMBMVFWYGZCU-UZLBHIALSA-N 1 0 393.915 2.706 20 0 GFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cc(Cl)cc(C(=O)OC)n1)C2 ZINC001164814281 720087394 /nfs/dbraw/zinc/08/73/94/720087394.db2.gz WKPMYCKKFHVIMH-MGPUTAFESA-N 1 0 393.915 2.706 20 0 GFADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(C)cc(C)n1)CC2 ZINC001164711219 720094085 /nfs/dbraw/zinc/09/40/85/720094085.db2.gz PRCVLZHECIEVAS-HXUWFJFHSA-N 1 0 381.524 2.996 20 0 GFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ncc3ccc(OC)cc3n1)C2 ZINC001164807998 720097383 /nfs/dbraw/zinc/09/73/83/720097383.db2.gz GZNJECIPAJUZIY-AVRDEDQJSA-N 1 0 382.508 2.823 20 0 GFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(Cl)nc3cnccc31)C2 ZINC001164811446 720098680 /nfs/dbraw/zinc/09/86/80/720098680.db2.gz OKIXTOXXOKTUKI-QRWLVFNGSA-N 1 0 387.915 2.863 20 0 GFADRO Cc1nc2ccccc2c(N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164826718 720304265 /nfs/dbraw/zinc/30/42/65/720304265.db2.gz WHOVKECXXUBHJP-RTWAWAEBSA-N 1 0 393.535 2.850 20 0 GFADRO COc1cc(Cl)ncc1N1CC[C@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164819656 720310471 /nfs/dbraw/zinc/31/04/71/720310471.db2.gz FPCBUWFTGHNLFG-CVEARBPZSA-N 1 0 392.931 2.655 20 0 GFADRO Cc1nc(N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)ccc1Cl ZINC001164819614 720311822 /nfs/dbraw/zinc/31/18/22/720311822.db2.gz FBVIQGPAQJOQIK-ROUUACIJSA-N 1 0 376.932 2.955 20 0 GFADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2ncnc3c(F)cccc32)CC1 ZINC001164824591 720313712 /nfs/dbraw/zinc/31/37/12/720313712.db2.gz SAERYMCJSPSDBO-MOPGFXCFSA-N 1 0 397.498 2.680 20 0 GFADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2ccc3ncccc3n2)CC1 ZINC001164819216 720314356 /nfs/dbraw/zinc/31/43/56/720314356.db2.gz CYDBENWBVGYGJV-UXHICEINSA-N 1 0 379.508 2.541 20 0 GFADRO Cc1nc(N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc2ccccc12 ZINC001164819991 720314365 /nfs/dbraw/zinc/31/43/65/720314365.db2.gz FWTZGRSZNPUVGK-SFTDATJTSA-N 1 0 393.535 2.850 20 0 GFADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2cc3ccccc3nn2)CC1 ZINC001164831946 720320552 /nfs/dbraw/zinc/32/05/52/720320552.db2.gz SINZWUAPXSJHCF-WOJBJXKFSA-N 1 0 379.508 2.541 20 0 GFADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2nccc3ncsc32)CC1 ZINC001164825428 720331118 /nfs/dbraw/zinc/33/11/18/720331118.db2.gz DVASBLXVRCCTRN-SJORKVTESA-N 1 0 385.537 2.603 20 0 GFADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2ncc(F)c3cc[nH]c32)CC1 ZINC001164829441 720331869 /nfs/dbraw/zinc/33/18/69/720331869.db2.gz MAEQKCJFMCXOBL-ROUUACIJSA-N 1 0 385.487 2.614 20 0 GFADRO CCOC(=O)c1cnc(C2CC2)nc1N1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164728300 720383641 /nfs/dbraw/zinc/38/36/41/720383641.db2.gz SVOHFFVKCJAJEA-OALUTQOASA-N 1 0 393.491 2.779 20 0 GFADRO Cc1nc(CO[C@@H]2CN(c3cc(C[NH+](C)C)ccn3)[C@@H]3CCCO[C@H]23)cs1 ZINC001164821852 720392072 /nfs/dbraw/zinc/39/20/72/720392072.db2.gz JQJBDFHKFKRUDN-GGPKGHCWSA-N 1 0 388.537 2.861 20 0 GFADRO COc1nc(-c2ccccc2)nc(N2CC[C@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)n1 ZINC001164722477 720401275 /nfs/dbraw/zinc/40/12/75/720401275.db2.gz CSBGKZHEWNMCBF-RBUKOAKNSA-N 1 0 388.475 2.795 20 0 GFADRO Fc1cccc(-c2ncnc(N3CC[C@@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)n2)c1 ZINC001164730151 720451585 /nfs/dbraw/zinc/45/15/85/720451585.db2.gz IAYRZFDLWYQPKF-RTBURBONSA-N 1 0 376.439 2.926 20 0 GFADRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(C(F)(F)c2cc(C3CC3)nnc2Cl)C1 ZINC001164732904 720525786 /nfs/dbraw/zinc/52/57/86/720525786.db2.gz HHAGOSIJLGQJHL-GFCCVEGCSA-N 1 0 396.873 2.947 20 0 GFADRO Cc1cc(-c2cccc(F)c2)nnc1N1Cc2nccn2C[C@H](C[NH+](C)C)C1 ZINC001164736245 720532338 /nfs/dbraw/zinc/53/23/38/720532338.db2.gz WOWIRMDSOLRLIJ-INIZCTEOSA-N 1 0 380.471 2.986 20 0 GFADRO FC(F)(c1cc(Cl)ncn1)N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001164732629 720549914 /nfs/dbraw/zinc/54/99/14/720549914.db2.gz ARKPHIUWFGSXON-UHFFFAOYSA-N 1 0 382.846 2.530 20 0 GFADRO Cc1cc2ncnc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cccn5)[N@H+]4C(C)C)C3)c2[nH]1 ZINC001164834044 720558995 /nfs/dbraw/zinc/55/89/95/720558995.db2.gz CJRPTKSGCJAXBZ-YQVWRLOYSA-N 1 0 379.512 2.841 20 0 GFADRO Nc1cc(C(F)(F)N2CCc3ncc(C[NH+]4CCCC4)n3CC2)cnc1Cl ZINC001164737008 720578090 /nfs/dbraw/zinc/57/80/90/720578090.db2.gz YFINIBUQDOHCNM-UHFFFAOYSA-N 1 0 396.873 2.717 20 0 GFADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3nccc(C(F)F)n3)CC[C@@H]21 ZINC001164835554 720584903 /nfs/dbraw/zinc/58/49/03/720584903.db2.gz BEMRRJWAOVRSAF-ZOBUZTSGSA-N 1 0 376.455 2.989 20 0 GFADRO CSc1cc(N2CCc3ncc(C[NH+]4CCCC4)n3CC2)nc(SC)n1 ZINC001164747127 720595349 /nfs/dbraw/zinc/59/53/49/720595349.db2.gz ZHINVGNOWBZCFI-UHFFFAOYSA-N 1 0 390.582 2.775 20 0 GFADRO CN(C)c1cncc(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC001164838125 720666741 /nfs/dbraw/zinc/66/67/41/720666741.db2.gz FXUAJBLUFDUNMZ-IBGZPJMESA-N 1 0 381.524 2.803 20 0 GFADRO Cc1ccc2nc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)c(Cl)nc2c1 ZINC001164737807 720684395 /nfs/dbraw/zinc/68/43/95/720684395.db2.gz GYYCXCUCURVHQV-GJZGRUSLSA-N 1 0 396.882 2.724 20 0 GFADRO Cc1c[nH]c2nc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)ccc12 ZINC001164741261 720820886 /nfs/dbraw/zinc/82/08/86/720820886.db2.gz MTFCSZLSLUNGBV-NLWGTHIKSA-N 1 0 391.523 2.842 20 0 GFADRO COCC[N@@H+]1CCO[C@@H]2CN(c3nc(Cl)nc4c(C)cccc43)CC[C@@H]2C1 ZINC001164850107 720847826 /nfs/dbraw/zinc/84/78/26/720847826.db2.gz DFJRXZLIJLEFCB-NVXWUHKLSA-N 1 0 390.915 2.765 20 0 GFADRO COCC[N@@H+]1CCO[C@@H]2CN(c3ncnc4c3ccn4C3CCCC3)CC[C@H]2C1 ZINC001164859546 720858815 /nfs/dbraw/zinc/85/88/15/720858815.db2.gz UHNVTHDMNKITEG-FXAWDEMLSA-N 1 0 399.539 2.720 20 0 GFADRO c1cnc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc1 ZINC001164747215 720866630 /nfs/dbraw/zinc/86/66/30/720866630.db2.gz AOAFMFJDWVBFAD-IFMALSPDSA-N 1 0 379.508 2.627 20 0 GFADRO CCc1nc(Cl)c(N2CC[C@H]3C[N@H+](CCOC)CCO[C@@H]3C2)c(Cl)n1 ZINC001164852826 720879841 /nfs/dbraw/zinc/87/98/41/720879841.db2.gz AAARSAGQVMCKNB-QWHCGFSZSA-N 1 0 389.327 2.519 20 0 GFADRO Nc1cccnc1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164749969 720880228 /nfs/dbraw/zinc/88/02/28/720880228.db2.gz IEVBPFMBSIOIIZ-OFNKIYASSA-N 1 0 393.535 2.814 20 0 GFADRO COCC[N@@H+]1CCO[C@@H]2CN(c3cc(C)nc(-c4cccs4)n3)CC[C@H]2C1 ZINC001164858593 720881316 /nfs/dbraw/zinc/88/13/16/720881316.db2.gz LHXXNHJDEKEMFE-DLBZAZTESA-N 1 0 388.537 2.687 20 0 GFADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1cc(Cl)nc(N(C)C)n1)[C@@H]2C ZINC001164862410 720919404 /nfs/dbraw/zinc/91/94/04/720919404.db2.gz VUNKRKAAHSJCHP-CYBMUJFWSA-N 1 0 377.924 2.814 20 0 GFADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1ncnc3c1[C@H](C)CC(=O)N3)[C@@H]2C ZINC001164860502 720964247 /nfs/dbraw/zinc/96/42/47/720964247.db2.gz QFMVILJERPBHNS-ZIAGYGMSSA-N 1 0 383.500 2.540 20 0 GFADRO COC(=O)c1nc(Cl)cc(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@H]2C)n1 ZINC001164857282 721012702 /nfs/dbraw/zinc/01/27/02/721012702.db2.gz CFPGOKNPANTROB-GFCCVEGCSA-N 1 0 392.891 2.535 20 0 GFADRO Cc1cccc(CN2C(=O)C[C@@H]3[C@@H]2CCN3c2ccc(C[NH+]3CCCC3)cn2)n1 ZINC001164771703 721054358 /nfs/dbraw/zinc/05/43/58/721054358.db2.gz NOMAQFQORUKQDW-LEWJYISDSA-N 1 0 391.519 2.761 20 0 GFADRO Cc1c[nH]c2nc(Cl)nc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)c12 ZINC001164867131 721070727 /nfs/dbraw/zinc/07/07/27/721070727.db2.gz IKYOPGVSCNCNLB-CVEARBPZSA-N 1 0 398.898 2.794 20 0 GFADRO Cc1c[nH]c2nc(Cl)nc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)c12 ZINC001164867133 721071910 /nfs/dbraw/zinc/07/19/10/721071910.db2.gz IKYOPGVSCNCNLB-HZPDHXFCSA-N 1 0 398.898 2.794 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(C(F)(F)c4cccnc4Cl)C[C@H]3C2)cn1 ZINC001164770983 721075118 /nfs/dbraw/zinc/07/51/18/721075118.db2.gz QRUHUVIPSSBQEF-HUUCEWRRSA-N 1 0 381.858 2.972 20 0 GFADRO CSc1cnc(Cl)nc1N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164864494 721094855 /nfs/dbraw/zinc/09/48/55/721094855.db2.gz GCJNWDVAYIDBAM-LSDHHAIUSA-N 1 0 391.928 2.727 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(C(F)(F)Oc4cccnc4Cl)C[C@@H]3C2)cn1 ZINC001164766518 721096806 /nfs/dbraw/zinc/09/68/06/721096806.db2.gz KSCZVPWCKSRECH-CABCVRRESA-N 1 0 397.857 2.852 20 0 GFADRO Fc1cccc2ncnc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)c12 ZINC001164865579 721097211 /nfs/dbraw/zinc/09/72/11/721097211.db2.gz NDQKLAYGSMGMRG-IAGOWNOFSA-N 1 0 379.439 2.644 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4cnc5cc(Cl)ccc5n4)C[C@@H]3C2)cn1 ZINC001164772246 721110161 /nfs/dbraw/zinc/11/01/61/721110161.db2.gz USGFLMWXUUACEN-CVEARBPZSA-N 1 0 382.899 2.975 20 0 GFADRO CCc1c(Cl)nnc(N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@H]3C2)c1CC ZINC001164765619 721138218 /nfs/dbraw/zinc/13/82/18/721138218.db2.gz JQSQVNOWEXPXJF-HOTGVXAUSA-N 1 0 388.947 2.947 20 0 GFADRO Cc1ccc(-c2ccc(N3C[C@@H]4C[N@H+](Cc5cnn(C)c5)CC[C@@H]4C3)nn2)o1 ZINC001164772428 721217367 /nfs/dbraw/zinc/21/73/67/721217367.db2.gz UTBSRDCNHGHZKT-MSOLQXFVSA-N 1 0 378.480 2.737 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4cncc(N5CCCCCC5)n4)C[C@H]3C2)cn1 ZINC001164761367 721223521 /nfs/dbraw/zinc/22/35/21/721223521.db2.gz AYTRYKREODCJHL-WOJBJXKFSA-N 1 0 395.555 2.549 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4cncc(OCC5CCCC5)n4)C[C@@H]3C2)cn1 ZINC001164760706 721239017 /nfs/dbraw/zinc/23/90/17/721239017.db2.gz GFCOOFOYFJZXQL-PMACEKPBSA-N 1 0 396.539 2.737 20 0 GFADRO Cc1cccc2ccnc(N3CCC4(CC3)COCC[N@@H+](CC(=O)N(C)C)C4)c12 ZINC001164878608 721289547 /nfs/dbraw/zinc/28/95/47/721289547.db2.gz RLUKIWBZVFRQFI-UHFFFAOYSA-N 1 0 396.535 2.550 20 0 GFADRO Cc1nc(Cl)c(N2CC[C@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)nc1C ZINC001164883481 721412909 /nfs/dbraw/zinc/41/29/09/721412909.db2.gz ABXMZWQXQUUWNG-XLIONFOSSA-N 1 0 393.963 2.512 20 0 GFADRO CCCc1cc(N2CC[C@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)nc(C)n1 ZINC001164883633 721422622 /nfs/dbraw/zinc/42/26/22/721422622.db2.gz BKRXVLQONWTTNK-IRLDBZIGSA-N 1 0 387.572 2.503 20 0 GFADRO C[N@H+](Cc1ccc(N2C[C@H]3COC[C@]3(COc3ncccc3F)C2)nc1)C1CC1 ZINC001164792732 721488367 /nfs/dbraw/zinc/48/83/67/721488367.db2.gz LELJJRHQSKWRNB-JTSKRJEESA-N 1 0 398.482 2.742 20 0 GFADRO COc1cnnc(Cl)c1N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164907117 721531688 /nfs/dbraw/zinc/53/16/88/721531688.db2.gz MATONMKOHWALDO-DZGCQCFKSA-N 1 0 378.835 2.620 20 0 GFADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ncc(Cl)cc3C(N)=O)C[C@H]21 ZINC001165026365 721802651 /nfs/dbraw/zinc/80/26/51/721802651.db2.gz QZESLTBIJGMPCJ-GDIGMMSISA-N 1 0 399.926 2.966 20 0 GFADRO CCOC(=O)c1ccc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)nn1 ZINC001165022239 721804578 /nfs/dbraw/zinc/80/45/78/721804578.db2.gz IJAXAUFJQVLTON-HQRMLTQVSA-N 1 0 395.507 2.785 20 0 GFADRO CNC(=O)c1ccnc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001165024172 721818965 /nfs/dbraw/zinc/81/89/65/721818965.db2.gz JLNRWMQMINAWJZ-SXLOBPIMSA-N 1 0 379.508 2.573 20 0 GFADRO C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2c1nc2cc(F)c(F)cc2nc1Cl ZINC001164925184 721859378 /nfs/dbraw/zinc/85/93/78/721859378.db2.gz DLHIHKMBFVUQSV-HOTGVXAUSA-N 1 0 381.858 2.776 20 0 GFADRO FC(F)[C@@](F)(COc1cncc(Cl)n1)N1CC[NH+](C2CCCC2)CC1 ZINC001165032353 721860660 /nfs/dbraw/zinc/86/06/60/721860660.db2.gz REKXJXWYMWPXHE-MRXNPFEDSA-N 1 0 378.826 3.000 20 0 GFADRO COc1cccc2c1nc(Cl)nc2N1CC[C@@H]2[C@@H]1CC[N@@H+]2CCN(C)C ZINC001164926943 721862641 /nfs/dbraw/zinc/86/26/41/721862641.db2.gz TVFFYVQJFURTMK-CABCVRRESA-N 1 0 375.904 2.506 20 0 GFADRO CCOc1cc2ncnc(N3CC[C@@H]4[C@@H]3CC[N@@H+]4CCN(C)C)c2cc1OCC ZINC001164926043 721863636 /nfs/dbraw/zinc/86/36/36/721863636.db2.gz QGYPOAAUIOUHCO-MOPGFXCFSA-N 1 0 399.539 2.642 20 0 GFADRO C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2C(F)(F)c1cc2cc[nH]c2c(Cl)n1 ZINC001164922680 721874892 /nfs/dbraw/zinc/87/48/92/721874892.db2.gz HQYNZOJVWDTLSS-KBPBESRZSA-N 1 0 383.874 2.976 20 0 GFADRO CN(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCN2c1nc(Cl)nc2c(Cl)nccc21 ZINC001164928597 721877004 /nfs/dbraw/zinc/87/70/04/721877004.db2.gz ZALZCLKRFHKTCL-CHWSQXEVSA-N 1 0 381.311 2.546 20 0 GFADRO CN(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCN2c1nc(-c2ccccn2)nc2ccccc21 ZINC001164933564 721878390 /nfs/dbraw/zinc/87/83/90/721878390.db2.gz MUUGVSDRAISBCC-SFTDATJTSA-N 1 0 388.519 2.906 20 0 GFADRO Cc1ccc(S(=O)(=O)n2ccc3c2ncnc3N2CCC[C@@H]([NH+](C)C)C2)cc1 ZINC001165034527 721886800 /nfs/dbraw/zinc/88/68/00/721886800.db2.gz HCRMVUNPCODIFG-MRXNPFEDSA-N 1 0 399.520 2.507 20 0 GFADRO COC(=O)/C=C/c1ccc(NC(=O)C(C)(C)C)c(N2CCC[C@H]([NH+](C)C)C2)n1 ZINC001165035809 721894028 /nfs/dbraw/zinc/89/40/28/721894028.db2.gz OYBJDDDBVQXFTQ-TYZQSYOASA-N 1 0 388.512 2.783 20 0 GFADRO CCOC(=O)c1c2ccccn2c2ncnc(N3CCC(C[NH+](C)C)CC3)c12 ZINC001165042853 721942079 /nfs/dbraw/zinc/94/20/79/721942079.db2.gz RCHUCLGRPKBLGD-UHFFFAOYSA-N 1 0 381.480 2.837 20 0 GFADRO Clc1ncc(N2CCOCC2)c(N2CCCC[C@@H]2CC[NH+]2CCCC2)n1 ZINC001165050082 721971060 /nfs/dbraw/zinc/97/10/60/721971060.db2.gz ZWIQRFQGNLITIP-MRXNPFEDSA-N 1 0 379.936 2.811 20 0 GFADRO O=S(=O)(c1cccnc1N1CCCC[C@H]1CC[NH+]1CCCC1)N1CCCC1 ZINC001165047984 721973110 /nfs/dbraw/zinc/97/31/10/721973110.db2.gz HYLIEYIBFHRMRB-SFHVURJKSA-N 1 0 392.569 2.711 20 0 GFADRO COc1cccc(-c2ccc(N3CC[NH+](CCc4ccccn4)CC3)nn2)c1 ZINC001165055719 722017627 /nfs/dbraw/zinc/01/76/27/722017627.db2.gz TXMHLEIAZXYOGE-UHFFFAOYSA-N 1 0 375.476 2.912 20 0 GFADRO c1ccc2c(c1)ncnc2N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164978348 722102070 /nfs/dbraw/zinc/10/20/70/722102070.db2.gz GSXHYJJMHNDOFI-NQIIRXRSSA-N 1 0 375.476 2.752 20 0 GFADRO Clc1ccc2nc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)[nH]c2n1 ZINC001164978877 722135254 /nfs/dbraw/zinc/13/52/54/722135254.db2.gz KFPUSJDQFTXKLT-WBVHZDCISA-N 1 0 398.898 2.734 20 0 GFADRO NC(=O)c1cnc(Cl)nc1N1CCC[C@]2(CC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001164993219 722195961 /nfs/dbraw/zinc/19/59/61/722195961.db2.gz CTSNBAGGCHQRMX-IBGZPJMESA-N 1 0 389.862 2.613 20 0 GFADRO Fc1cccc(C[N@@H+]2CC[C@@]23CCCN(c2ccnc(N4CCOCC4)n2)C3)c1 ZINC001164994457 722203829 /nfs/dbraw/zinc/20/38/29/722203829.db2.gz HHFAKWRYCMQFEA-JOCHJYFZSA-N 1 0 397.498 2.697 20 0 GFADRO C[NH+](C)CCOCc1ncn2c1CN(c1cc(-c3cccs3)ncn1)CCC2 ZINC001165004006 722256684 /nfs/dbraw/zinc/25/66/84/722256684.db2.gz KXPYPMURWSCVLC-UHFFFAOYSA-N 1 0 398.536 2.890 20 0 GFADRO Cc1ccc(-c2ccc(N3CCCn4cnc(COCC[NH+](C)C)c4C3)nn2)o1 ZINC001165003443 722257247 /nfs/dbraw/zinc/25/72/47/722257247.db2.gz DGOHGJBYUDPUGX-UHFFFAOYSA-N 1 0 396.495 2.730 20 0 GFADRO Cc1[nH+]c(N2CC[C@]3(C2)CN(c2cccc(F)c2)C(=O)CN3C)cc2[nH]ccc21 ZINC001165006890 722267176 /nfs/dbraw/zinc/26/71/76/722267176.db2.gz NIEIOXJKVIARDX-QFIPXVFZSA-N 1 0 393.466 2.938 20 0 GFADRO CC1(C)C[NH2+]CC[C@H]1NS(=O)(=O)c1c(Cl)cccc1Br ZINC000390256273 563522960 /nfs/dbraw/zinc/52/29/60/563522960.db2.gz UVNGYESZUZNPQA-LLVKDONJSA-N 1 0 381.723 2.769 20 0 GFADRO C[C@@H]1C[C@H]([NH3+])CN1C(=O)Nc1nnc(-c2cccc(Br)c2)s1 ZINC000632933608 532651549 /nfs/dbraw/zinc/65/15/49/532651549.db2.gz BTDJMBRTACSYHW-KCJUWKMLSA-N 1 0 382.287 2.921 20 0 GFADRO COc1ccc(CCNC(=O)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)cc1OC ZINC000047660965 205111687 /nfs/dbraw/zinc/11/16/87/205111687.db2.gz VEJRPCIHRDJHAX-IRXDYDNUSA-N 1 0 377.529 2.914 20 0 GFADRO C[C@@H]1C[C@H](C)N(C(=O)c2csc(I)c2)C[C@H]1C[NH3+] ZINC000397247871 563531995 /nfs/dbraw/zinc/53/19/95/563531995.db2.gz BLGJPYVFSRBXAK-WCABBAIRSA-N 1 0 378.279 2.798 20 0 GFADRO CC[C@H]1CN(C(=O)c2ccc(F)cc2I)CC[C@H]1[NH3+] ZINC000234095592 553066917 /nfs/dbraw/zinc/06/69/17/553066917.db2.gz BSRZGGYIPLXMAH-TVQRCGJNSA-N 1 0 376.213 2.630 20 0 GFADRO C[C@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2F)[C@@H]1CC[NH3+] ZINC000405248959 563539002 /nfs/dbraw/zinc/53/90/02/563539002.db2.gz ISUISEWZNFDSHS-GXFFZTMASA-N 1 0 379.295 2.726 20 0 GFADRO Cc1cc(Br)ccc1C[NH2+][C@@H]1CCCC[C@@H]1NS(C)(=O)=O ZINC000331208547 563540553 /nfs/dbraw/zinc/54/05/53/563540553.db2.gz ZSCZBPJLSRXKLP-CABCVRRESA-N 1 0 375.332 2.708 20 0 GFADRO COCCN(CC[NH+](C)C)C(=O)Cc1cc(Cl)ccc1Br ZINC000433743910 563619270 /nfs/dbraw/zinc/61/92/70/563619270.db2.gz DMGCBXOENHCQHZ-UHFFFAOYSA-N 1 0 377.710 2.682 20 0 GFADRO C[C@@H](CNC(=O)c1ccc2cc(I)ccc2n1)[NH+](C)C ZINC000412395124 563656449 /nfs/dbraw/zinc/65/64/49/563656449.db2.gz RJHYFMHGQYLQMI-JTQLQIEISA-N 1 0 383.233 2.519 20 0 GFADRO O=C(NCC[N@@H+]1CCCOCC1)NCc1cc(Cl)cc(Br)c1 ZINC000413576991 563697956 /nfs/dbraw/zinc/69/79/56/563697956.db2.gz XCWSPGQDWPCJQL-UHFFFAOYSA-N 1 0 390.709 2.624 20 0 GFADRO [NH3+][C@H]1CCC[C@@]12CCN(C(=O)Cc1cccc(I)c1)C2 ZINC000364273653 563748428 /nfs/dbraw/zinc/74/84/28/563748428.db2.gz WRDQJKILTXMIRD-HOCLYGCPSA-N 1 0 384.261 2.564 20 0 GFADRO CN1CC[NH+](CCCCNc2ncnc3ccc(Br)cc32)CC1 ZINC000022028576 551116744 /nfs/dbraw/zinc/11/67/44/551116744.db2.gz ZBLVZXWHZZRBMF-UHFFFAOYSA-N 1 0 378.318 2.832 20 0 GFADRO C[C@@H](NC(=O)c1cccs1)C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000032762327 551131949 /nfs/dbraw/zinc/13/19/49/551131949.db2.gz DXTNDSUUNDDLGN-KGLIPLIRSA-N 1 0 377.535 2.881 20 0 GFADRO CCCC[NH+]1CCC(NS(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000040437753 551134203 /nfs/dbraw/zinc/13/42/03/551134203.db2.gz GPHHADJQTPEZCW-UHFFFAOYSA-N 1 0 375.332 2.992 20 0 GFADRO Cc1ccc(Br)cc1S(=O)(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000040435912 551134462 /nfs/dbraw/zinc/13/44/62/551134462.db2.gz MCDPHHUFIRLMAF-CYBMUJFWSA-N 1 0 375.332 2.910 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000042056031 551137563 /nfs/dbraw/zinc/13/75/63/551137563.db2.gz IHBWLAJXFSRQDT-LSDHHAIUSA-N 1 0 394.313 2.747 20 0 GFADRO CCN1CC[NH+](CCCCNC(=O)c2ccc(F)cc2Br)CC1 ZINC000042594275 551139781 /nfs/dbraw/zinc/13/97/81/551139781.db2.gz UZZPTUBWSKHEOT-UHFFFAOYSA-N 1 0 386.309 2.736 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)N1CCN(Cc2cccs2)CC1)c1ccsc1 ZINC000045658556 551147208 /nfs/dbraw/zinc/14/72/08/551147208.db2.gz GYBLORIDEYFTKI-QGZVFWFLSA-N 1 0 378.567 2.940 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)NC[C@@H]1CCN(CC(F)(F)F)C1)c1ccsc1 ZINC000046346149 551150176 /nfs/dbraw/zinc/15/01/76/551150176.db2.gz JBVJXNCVFXBKLV-GXTWGEPZSA-N 1 0 378.464 2.534 20 0 GFADRO CCOc1cc(Br)c(CC(=O)NC[C@@H](C)[NH+](C)C)cc1OCC ZINC000046273196 551150194 /nfs/dbraw/zinc/15/01/94/551150194.db2.gz YOWOLVUBKCHWEV-GFCCVEGCSA-N 1 0 387.318 2.855 20 0 GFADRO Cc1csc(N2CC[NH+](CCC(=O)NCc3ccccc3Cl)CC2)n1 ZINC000047891768 551154051 /nfs/dbraw/zinc/15/40/51/551154051.db2.gz ZBEZZFYHBMZDMD-UHFFFAOYSA-N 1 0 378.929 2.933 20 0 GFADRO CCCNC(=O)[C@@H]1CCC[N@H+](Cc2cc3c(cc2Br)OCCO3)C1 ZINC000051002333 551161400 /nfs/dbraw/zinc/16/14/00/551161400.db2.gz SLIAAGAKABDKSM-CYBMUJFWSA-N 1 0 397.313 2.959 20 0 GFADRO CCCNC(=O)[C@H]1CCC[N@H+](C[C@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000050993799 551161608 /nfs/dbraw/zinc/16/16/08/551161608.db2.gz PERHZZCXCCEERP-ZFWWWQNUSA-N 1 0 389.323 2.971 20 0 GFADRO O=C(CC[NH+]1CCN(c2ccccn2)CC1)Nc1ccccc1Br ZINC000051214168 551162563 /nfs/dbraw/zinc/16/25/63/551162563.db2.gz IBPXUGOCTDOZRO-UHFFFAOYSA-N 1 0 389.297 2.995 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)c1[nH]nc(-c2ccccc2)c1Br ZINC000057555041 551180808 /nfs/dbraw/zinc/18/08/08/551180808.db2.gz ZVQKRZGJMCVDKX-GFCCVEGCSA-N 1 0 375.270 2.806 20 0 GFADRO C[NH+](C)Cc1cccc(NC(=O)C(=O)NCc2sccc2Br)c1 ZINC000060748488 551183751 /nfs/dbraw/zinc/18/37/51/551183751.db2.gz OJWNZMVSMCQNMO-UHFFFAOYSA-N 1 0 396.310 2.827 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)C1CC1 ZINC000065088355 551185708 /nfs/dbraw/zinc/18/57/08/551185708.db2.gz LYKLOLUOYORLEM-BBRMVZONSA-N 1 0 384.307 2.803 20 0 GFADRO C[NH+]1CCN(c2cc(C(=O)NCc3cccc(Br)c3)ccn2)CC1 ZINC000068423000 551191956 /nfs/dbraw/zinc/19/19/56/551191956.db2.gz VDYNATQDRXMTRD-UHFFFAOYSA-N 1 0 389.297 2.526 20 0 GFADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)Nc1ccc(Br)cc1Cl ZINC000106581312 551200753 /nfs/dbraw/zinc/20/07/53/551200753.db2.gz GRONIRZSEJLBPS-LLVKDONJSA-N 1 0 389.725 2.860 20 0 GFADRO O=C(CC[NH+]1CCC(C2OCCO2)CC1)Nc1ccc(Br)cc1 ZINC000110436062 551204450 /nfs/dbraw/zinc/20/44/50/551204450.db2.gz KMOKIFNFCAREGC-UHFFFAOYSA-N 1 0 383.286 2.863 20 0 GFADRO C[C@@H](C(=O)Nc1ccc(Br)cc1)[N@@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000116324126 551211952 /nfs/dbraw/zinc/21/19/52/551211952.db2.gz RWUIQAQMTUATGZ-STQMWFEESA-N 1 0 377.286 2.999 20 0 GFADRO C[C@H]1C[C@H](N(C)C(=O)c2c(F)cccc2I)CC[N@@H+]1C ZINC000119140557 551214936 /nfs/dbraw/zinc/21/49/36/551214936.db2.gz KYNCAVQMNZZFHN-WDEREUQCSA-N 1 0 390.240 2.985 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)CCn1cc(Br)ccc1=O ZINC000120923618 551222573 /nfs/dbraw/zinc/22/25/73/551222573.db2.gz KXXXNFPZCCAIPQ-OAHLLOKOSA-N 1 0 398.345 2.772 20 0 GFADRO C[NH+](C)CCN(C(=O)c1cncc(I)c1)C1CCCC1 ZINC000121008466 551225157 /nfs/dbraw/zinc/22/51/57/551225157.db2.gz FXJNGTPFCDLHKX-UHFFFAOYSA-N 1 0 387.265 2.633 20 0 GFADRO CC[NH+](CC)C[C@@H]1CCN(S(=O)(=O)Cc2ccc(Br)cc2)C1 ZINC000121075629 551226683 /nfs/dbraw/zinc/22/66/83/551226683.db2.gz UTMBRYMPOPSYJY-HNNXBMFYSA-N 1 0 389.359 2.943 20 0 GFADRO Cc1cccc(NC(=O)C(=O)NC[C@@H]2CC[N@@H+](CC(C)C)C2)c1Br ZINC000121145203 551228103 /nfs/dbraw/zinc/22/81/03/551228103.db2.gz HIQFJLDLFAXTJH-AWEZNQCLSA-N 1 0 396.329 2.790 20 0 GFADRO C[C@@H]1OCC[C@@H]1[NH2+]CC(C)(C)S(=O)(=O)c1ccc(Br)cc1 ZINC000121247997 551230580 /nfs/dbraw/zinc/23/05/80/551230580.db2.gz YXVLVTIDJODECV-FZMZJTMJSA-N 1 0 376.316 2.768 20 0 GFADRO C[C@H](NS(=O)(=O)Cc1ccc(Br)cc1)C(C)(C)C[NH+](C)C ZINC000121383130 551233105 /nfs/dbraw/zinc/23/31/05/551233105.db2.gz UYHHHCJMNHTZEU-LBPRGKRZSA-N 1 0 377.348 2.845 20 0 GFADRO C[C@@H](CNS(=O)(=O)c1sccc1Br)[N@@H+]1CCC[C@H](C)C1 ZINC000121392347 551233778 /nfs/dbraw/zinc/23/37/78/551233778.db2.gz XMVCNRYLEJJQEV-QWRGUYRKSA-N 1 0 381.361 2.909 20 0 GFADRO O=C(C1CC1)N1CCC[N@@H+](C[C@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000121416125 551234489 /nfs/dbraw/zinc/23/44/89/551234489.db2.gz RUDVADGCBWCMRJ-AWEZNQCLSA-N 1 0 387.307 2.677 20 0 GFADRO C[NH+](C)CCCn1c(=O)c2c(nc1SCCCO)sc1c2CCCC1 ZINC000121572371 551237221 /nfs/dbraw/zinc/23/72/21/551237221.db2.gz HITLOPDRUNJEKV-UHFFFAOYSA-N 1 0 381.567 2.763 20 0 GFADRO C[C@@H]1CCC[N@@H+]1C1CCN(C(=O)C(=O)Nc2cccc(Br)c2)CC1 ZINC000121734304 551241294 /nfs/dbraw/zinc/24/12/94/551241294.db2.gz XZTWOFFDZPVPMO-CYBMUJFWSA-N 1 0 394.313 2.863 20 0 GFADRO CC[NH+]1CCN([C@@H](C)CNC(=O)CCc2cccc(Br)c2)CC1 ZINC000121785180 551242786 /nfs/dbraw/zinc/24/27/86/551242786.db2.gz XLKXEBORWVULPB-HNNXBMFYSA-N 1 0 382.346 2.524 20 0 GFADRO O=C(NC[C@H]1CCCN(C(=O)c2cc(Cl)sc2Cl)C1)[C@@H]1CCC[NH2+]1 ZINC000122058808 551293628 /nfs/dbraw/zinc/29/36/28/551293628.db2.gz RPLFGJCTCMQIRV-PWSUYJOCSA-N 1 0 390.336 2.775 20 0 GFADRO Cc1cccc(C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)c1Br ZINC000122482144 551298353 /nfs/dbraw/zinc/29/83/53/551298353.db2.gz KYXSJFQUUKLQOR-AWEZNQCLSA-N 1 0 381.314 2.988 20 0 GFADRO O=C(NCC[NH+]1CCCCC1)Nc1cc(Br)cnc1-n1cccn1 ZINC000122540483 551299805 /nfs/dbraw/zinc/29/98/05/551299805.db2.gz AJYFFTSAAXFCPL-UHFFFAOYSA-N 1 0 393.289 2.637 20 0 GFADRO COCC[NH+]1CCC(NC(=O)N[C@@H](C)Cc2ccccc2Br)CC1 ZINC000123112619 551303170 /nfs/dbraw/zinc/30/31/70/551303170.db2.gz ODGQSURTYJFEBZ-AWEZNQCLSA-N 1 0 398.345 2.790 20 0 GFADRO Cc1cc(S(=O)(=O)N[C@@H]2CC[NH2+]C3(CCC3)C2)sc1Br ZINC000123627919 551307839 /nfs/dbraw/zinc/30/78/39/551307839.db2.gz ISCFUJWUHJMLHO-SNVBAGLBSA-N 1 0 379.345 2.772 20 0 GFADRO COc1ccc(C(=O)NCC[NH+]2CCCCC2)c(I)c1 ZINC000123883686 551309724 /nfs/dbraw/zinc/30/97/24/551309724.db2.gz NPGPQVPVVZIPEL-UHFFFAOYSA-N 1 0 388.249 2.516 20 0 GFADRO C[NH+](C)CCN1CCC(NC(=O)NCCc2cc(Cl)cc(Cl)c2)CC1 ZINC000124565020 551315862 /nfs/dbraw/zinc/31/58/62/551315862.db2.gz SRACQNHVRGYVSZ-UHFFFAOYSA-N 1 0 387.355 2.861 20 0 GFADRO [NH3+]C[C@@H]1CCCN1S(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000124747687 551317752 /nfs/dbraw/zinc/31/77/52/551317752.db2.gz BFNOGZAAGQUECU-JTQLQIEISA-N 1 0 376.322 2.836 20 0 GFADRO COc1ccc(Br)c(S(=O)(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)c1 ZINC000126095633 551325634 /nfs/dbraw/zinc/32/56/34/551325634.db2.gz OBMRHCDRYAFMJU-NSHDSACASA-N 1 0 393.347 2.712 20 0 GFADRO COCCC[NH+]1CCC(NC(=O)[C@H]2COc3ccc(Br)cc32)CC1 ZINC000126927528 551334746 /nfs/dbraw/zinc/33/47/46/551334746.db2.gz HHTDGPNUOSAKPU-INIZCTEOSA-N 1 0 397.313 2.542 20 0 GFADRO O=C(Nc1ccc(Br)nc1)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000127240486 551338650 /nfs/dbraw/zinc/33/86/50/551338650.db2.gz SKJWMUVAWMAUJM-GJZGRUSLSA-N 1 0 397.317 2.734 20 0 GFADRO Cc1cc(Br)cc(C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000127674303 551343133 /nfs/dbraw/zinc/34/31/33/551343133.db2.gz JGBNCMIOXAYWOG-OAHLLOKOSA-N 1 0 381.314 2.942 20 0 GFADRO CC(C)C[C@H](NC(=O)Cc1ccc(Cl)c(Cl)c1)C(=O)NCC[NH+](C)C ZINC000127998063 551345670 /nfs/dbraw/zinc/34/56/70/551345670.db2.gz VPWQTIGOQUKEBO-INIZCTEOSA-N 1 0 388.339 2.745 20 0 GFADRO CCn1cc(C[NH2+]Cc2ccc(Br)cc2N2CCOCC2)cn1 ZINC000128325826 551349145 /nfs/dbraw/zinc/34/91/45/551349145.db2.gz XVMQEUBHHVHAEO-UHFFFAOYSA-N 1 0 379.302 2.792 20 0 GFADRO COC(=O)[C@@H](c1cc(Cl)cc(Cl)c1)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000128798107 551352820 /nfs/dbraw/zinc/35/28/20/551352820.db2.gz VICOFFMAPYUPBN-CXAGYDPISA-N 1 0 387.307 2.862 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)C(=O)NCCC1CC[NH+](C)CC1 ZINC000128993993 551354599 /nfs/dbraw/zinc/35/45/99/551354599.db2.gz DSUMQCLRSSJSAD-UHFFFAOYSA-N 1 0 382.302 2.544 20 0 GFADRO O=C(NCC1([NH+]2CCCCC2)CCOCC1)c1cccnc1Br ZINC000128999949 551354819 /nfs/dbraw/zinc/35/48/19/551354819.db2.gz HEWRHLLDCSKIHZ-UHFFFAOYSA-N 1 0 382.302 2.609 20 0 GFADRO C[N@H+](CCNC(=O)c1ccc(Br)cc1-n1cncn1)C1CCCC1 ZINC000130388254 551364449 /nfs/dbraw/zinc/36/44/49/551364449.db2.gz IZRSJQYEQGLPGL-UHFFFAOYSA-N 1 0 392.301 2.634 20 0 GFADRO O[C@H](C[NH2+]Cc1ccc2c(c1)OCCO2)COc1ccccc1Br ZINC000131030540 551371628 /nfs/dbraw/zinc/37/16/28/551371628.db2.gz RHQKVKVVDDXJCQ-CQSZACIVSA-N 1 0 394.265 2.750 20 0 GFADRO C[C@@H](Cn1cccn1)[NH2+]CCC(=O)N(C)Cc1ccccc1Br ZINC000138463813 551391395 /nfs/dbraw/zinc/39/13/95/551391395.db2.gz CDWJPKNNJZFFOA-AWEZNQCLSA-N 1 0 379.302 2.672 20 0 GFADRO COCC[NH+]1CCC(NC(=O)[C@@H](C)Oc2ccc(C)cc2Br)CC1 ZINC000141362169 551394088 /nfs/dbraw/zinc/39/40/88/551394088.db2.gz DGYCICMIUGGJDN-CQSZACIVSA-N 1 0 399.329 2.752 20 0 GFADRO COCC[NH+]1CCC(NC(=O)CCCOc2cccc(Br)c2)CC1 ZINC000141505771 551394117 /nfs/dbraw/zinc/39/41/17/551394117.db2.gz HKDJCVUMZMXIQU-UHFFFAOYSA-N 1 0 399.329 2.835 20 0 GFADRO CCN(CC)S(=O)(=O)c1cc(NC(=O)[C@@H]([NH3+])CC(C)C)ccc1Cl ZINC000150702337 551400216 /nfs/dbraw/zinc/40/02/16/551400216.db2.gz UAEOPEBLDNVSEL-AWEZNQCLSA-N 1 0 375.922 2.682 20 0 GFADRO CS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000150846465 551402500 /nfs/dbraw/zinc/40/25/00/551402500.db2.gz BTZQUZUEQVSIQB-AWEZNQCLSA-N 1 0 384.929 2.834 20 0 GFADRO CCO[C@H](CC[NH+](C)C)CNS(=O)(=O)c1ccc(C)c(C(F)(F)F)c1 ZINC000150872769 551402861 /nfs/dbraw/zinc/40/28/61/551402861.db2.gz VPSSXBZZPUOQSX-CYBMUJFWSA-N 1 0 382.448 2.649 20 0 GFADRO CS[C@@H](C)C(=O)NCc1cc(C(F)(F)F)ccc1N1CC[NH+](C)CC1 ZINC000150875728 551403062 /nfs/dbraw/zinc/40/30/62/551403062.db2.gz HZVSZXNAGWWPAS-LBPRGKRZSA-N 1 0 375.460 2.825 20 0 GFADRO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CCSCCCO ZINC000151179720 551408581 /nfs/dbraw/zinc/40/85/81/551408581.db2.gz MGROQYPJFHUTGT-GFCCVEGCSA-N 1 0 375.332 2.871 20 0 GFADRO C[NH+](C)C1(CNS(=O)(=O)Cc2cc(Cl)cc(Cl)c2)CCOCC1 ZINC000151234141 551409442 /nfs/dbraw/zinc/40/94/42/551409442.db2.gz ROJHICPZUZWBDF-UHFFFAOYSA-N 1 0 381.325 2.524 20 0 GFADRO O=S(=O)(C1CC1)N1CCC([NH2+]Cc2ccc(Br)s2)CC1 ZINC000151276038 551410459 /nfs/dbraw/zinc/41/04/59/551410459.db2.gz DMWDWAKDNCNVGB-UHFFFAOYSA-N 1 0 379.345 2.557 20 0 GFADRO Cc1ccc(NC(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)c(Br)n1 ZINC000151548874 551415838 /nfs/dbraw/zinc/41/58/38/551415838.db2.gz RMMMFDAYLXHJHD-CYBMUJFWSA-N 1 0 397.317 2.775 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000151869915 551422311 /nfs/dbraw/zinc/42/23/11/551422311.db2.gz YDNSKFIHXJWAFG-GXTWGEPZSA-N 1 0 394.313 2.746 20 0 GFADRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+][C@H](C)c2ccc([S@@](C)=O)cc2)cc1 ZINC000151910001 551423091 /nfs/dbraw/zinc/42/30/91/551423091.db2.gz KPUMAXAIDSNYLE-CDEUHXGRSA-N 1 0 380.535 2.744 20 0 GFADRO CNC(=O)CN1CCC([NH2+][C@H](C)[C@@H](C)Oc2ccc(Cl)cc2Cl)CC1 ZINC000151991103 551424494 /nfs/dbraw/zinc/42/44/94/551424494.db2.gz XRWVZWHAIOULHX-CHWSQXEVSA-N 1 0 388.339 2.949 20 0 GFADRO O=C(NCC[C@@H]1CCC[NH2+]C1)c1cnn(-c2cccc(Br)c2)c1 ZINC000152651501 551437324 /nfs/dbraw/zinc/43/73/24/551437324.db2.gz GHFBCYBIVWXJRK-ZDUSSCGKSA-N 1 0 377.286 2.754 20 0 GFADRO C[N@@H+]1CC[C@H]2[C@H](CCCN2S(=O)(=O)c2ccc(F)c(Br)c2)C1 ZINC000152852861 551441368 /nfs/dbraw/zinc/44/13/68/551441368.db2.gz CLUSQVFZLQMSPW-ABAIWWIYSA-N 1 0 391.306 2.693 20 0 GFADRO C[N@@H+]1CC[C@H]2[C@H](CCCN2S(=O)(=O)c2ccc(OC(F)(F)F)cc2)C1 ZINC000152875863 551441646 /nfs/dbraw/zinc/44/16/46/551441646.db2.gz CEJWJINJLKYKFU-DOMZBBRYSA-N 1 0 378.416 2.690 20 0 GFADRO C[C@@H](CNC(=O)C(=O)Nc1ccc(Br)c(Cl)c1)[N@H+](C)C1CC1 ZINC000153276938 551449377 /nfs/dbraw/zinc/44/93/77/551449377.db2.gz BMBUQDRNLLYLAP-VIFPVBQESA-N 1 0 388.693 2.640 20 0 GFADRO C[N@H+](CC(=O)N1CCN(Cc2c(F)cccc2Cl)CC1)[C@H]1CCSC1 ZINC000153338340 551450481 /nfs/dbraw/zinc/45/04/81/551450481.db2.gz PGXPJEBMPXEQMF-AWEZNQCLSA-N 1 0 385.936 2.561 20 0 GFADRO Cc1c(C(=O)N2C[C@@H](C)[NH2+][C@H](C)C2)cnn1-c1ccc(Br)cc1 ZINC000153639132 551457238 /nfs/dbraw/zinc/45/72/38/551457238.db2.gz KYYNLVSEKCTZBL-VXGBXAGGSA-N 1 0 377.286 2.766 20 0 GFADRO C[C@@H](CS(C)(=O)=O)N(Cc1cc(Br)cc2c1OCC2)C1CC1 ZINC000153903489 551462620 /nfs/dbraw/zinc/46/26/20/551462620.db2.gz SCEPBBAEWFPJDJ-NSHDSACASA-N 1 0 388.327 2.782 20 0 GFADRO CCN(Cc1cc(Br)cc2c1OCC2)[C@H](C)CS(C)(=O)=O ZINC000153903093 551462632 /nfs/dbraw/zinc/46/26/32/551462632.db2.gz ABTLIYCLRDVAEB-LLVKDONJSA-N 1 0 376.316 2.639 20 0 GFADRO C[N@H+](CCCO)C1CCN(Cc2cc(Br)cc3c2OCC3)CC1 ZINC000153904375 551462782 /nfs/dbraw/zinc/46/27/82/551462782.db2.gz MXWXMLXZFMIYJH-UHFFFAOYSA-N 1 0 383.330 2.663 20 0 GFADRO CCO[C@@H](CC[NH+](C)C)CNC(=O)Cc1cc(Br)ccc1F ZINC000154062867 551466309 /nfs/dbraw/zinc/46/63/09/551466309.db2.gz GAXPSYLVDCLCPJ-AWEZNQCLSA-N 1 0 375.282 2.604 20 0 GFADRO Cc1ccc(Br)c(C(=O)NC[C@@H](C(C)C)[NH+]2CCN(C)CC2)c1 ZINC000154620789 551479550 /nfs/dbraw/zinc/47/95/50/551479550.db2.gz MJFHBBVJMUDJBP-KRWDZBQOSA-N 1 0 382.346 2.759 20 0 GFADRO CN1CCC(CNC(=O)c2cccc(Br)n2)([NH+]2CCCCC2)CC1 ZINC000155221207 551495042 /nfs/dbraw/zinc/49/50/42/551495042.db2.gz FAMIMAAWVCJATQ-UHFFFAOYSA-N 1 0 395.345 2.524 20 0 GFADRO O=S(=O)(c1cc(F)ccc1Br)N1CCN(C2CCCC2)CC1 ZINC000155244960 551495346 /nfs/dbraw/zinc/49/53/46/551495346.db2.gz ZOUWWWJIKHEXRF-UHFFFAOYSA-N 1 0 391.306 2.837 20 0 GFADRO O=C(NC[C@H](O)c1ccc(Cl)cc1Cl)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC000155317608 551497146 /nfs/dbraw/zinc/49/71/46/551497146.db2.gz MUJGSFPESZAKNO-SJORKVTESA-N 1 0 387.307 2.786 20 0 GFADRO [NH3+]CC1(C(=O)NCCc2ccc(I)s2)CCCC1 ZINC000155381620 551498649 /nfs/dbraw/zinc/49/86/49/551498649.db2.gz YOKMTTOVCIUNGM-UHFFFAOYSA-N 1 0 378.279 2.531 20 0 GFADRO C[C@@H]1C[N@@H+](C)C[C@H](C)N1C(=O)CCNC(=O)Nc1ccc(Br)cc1 ZINC000155568093 551502362 /nfs/dbraw/zinc/50/23/62/551502362.db2.gz IPNNGXCEHRJEEX-BETUJISGSA-N 1 0 397.317 2.512 20 0 GFADRO C[C@H]1C[C@@H](NC(=O)c2c(F)cccc2I)C[N@@H+]1C1CC1 ZINC000155863673 551510005 /nfs/dbraw/zinc/51/00/05/551510005.db2.gz VOSVFEDYIMANGQ-VHSXEESVSA-N 1 0 388.224 2.785 20 0 GFADRO CN(Cc1ccc(Br)cc1)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000156238675 551518438 /nfs/dbraw/zinc/51/84/38/551518438.db2.gz DEOMOVCJCFXCHU-UHFFFAOYSA-N 1 0 380.290 2.871 20 0 GFADRO CC[NH+](CC)[C@H](C)CNS(=O)(=O)c1c2ccccc2sc1C(=O)OC ZINC000156456990 551523597 /nfs/dbraw/zinc/52/35/97/551523597.db2.gz VMKPKLFZUZMDBL-GFCCVEGCSA-N 1 0 384.523 2.697 20 0 GFADRO CC(=O)N1CC[C@@H](C[N@@H+](C)[C@@H](C)C(=O)Nc2ccc(C)cc2Br)C1 ZINC000156508908 551524084 /nfs/dbraw/zinc/52/40/84/551524084.db2.gz PQDGLIRUHPSSQA-ZFWWWQNUSA-N 1 0 396.329 2.885 20 0 GFADRO CC[NH+](CC)CCSCC(=O)NCc1ccc(O)c(Br)c1 ZINC000156550369 551524607 /nfs/dbraw/zinc/52/46/07/551524607.db2.gz YAFVWMQMEAOQLH-UHFFFAOYSA-N 1 0 375.332 2.846 20 0 GFADRO CCS(=O)(=O)N(C)CCC[NH2+][C@H]1CCc2cc(Br)ccc21 ZINC000156881214 551529848 /nfs/dbraw/zinc/52/98/48/551529848.db2.gz RYQUUFYOCXUORX-HNNXBMFYSA-N 1 0 375.332 2.698 20 0 GFADRO CCS(=O)(=O)N(C)CCC[NH2+][C@H]1CCc2c1cc(Br)cc2F ZINC000156883638 551530137 /nfs/dbraw/zinc/53/01/37/551530137.db2.gz DDDREBCKOVIAMG-HNNXBMFYSA-N 1 0 393.322 2.837 20 0 GFADRO CCOc1c(Br)cc(C[NH2+][C@H](C)CC(N)=O)cc1Br ZINC000157407073 551537643 /nfs/dbraw/zinc/53/76/43/551537643.db2.gz PANNOKMHGOFWOR-MRVPVSSYSA-N 1 0 394.107 2.964 20 0 GFADRO [NH3+][C@H]1CCCN(C(=O)c2ccc(NC(=O)c3ccc(Br)o3)cc2)C1 ZINC000157842588 551543171 /nfs/dbraw/zinc/54/31/71/551543171.db2.gz PYSMEFOOUNWINS-LBPRGKRZSA-N 1 0 392.253 2.858 20 0 GFADRO CC[N@H+](CC(C)(C)O)[C@@H](C)C(=O)Nc1cccc(I)c1 ZINC000158141760 551547471 /nfs/dbraw/zinc/54/74/71/551547471.db2.gz AEHBAOBZWAMACS-NSHDSACASA-N 1 0 390.265 2.711 20 0 GFADRO CN(CC[NH2+]Cc1cc(-c2ccccc2)n[nH]1)S(=O)(=O)c1cccs1 ZINC000158350570 551550598 /nfs/dbraw/zinc/55/05/98/551550598.db2.gz DXSFPWWXAGROQG-UHFFFAOYSA-N 1 0 376.507 2.549 20 0 GFADRO CN(CC[NH2+]Cc1c[nH]nc1-c1ccccc1)S(=O)(=O)c1cccs1 ZINC000158362073 551550620 /nfs/dbraw/zinc/55/06/20/551550620.db2.gz ZQXOPSASSBKTFN-UHFFFAOYSA-N 1 0 376.507 2.549 20 0 GFADRO CN(Cc1ccccc1Br)C(=O)CN1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158728861 551555568 /nfs/dbraw/zinc/55/55/68/551555568.db2.gz FZUAHYGXWUTSNK-AEFFLSMTSA-N 1 0 394.357 2.824 20 0 GFADRO C[C@@H](Cc1ccc(Br)cc1)C(=O)NCCCC[N@@H+]1CCC[C@@H]1CO ZINC000158702645 551555588 /nfs/dbraw/zinc/55/55/88/551555588.db2.gz WWENZWPGOSOIIF-MAUKXSAKSA-N 1 0 397.357 2.981 20 0 GFADRO COC(=O)c1cc(Cl)ccc1S(=O)(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000158839587 551557535 /nfs/dbraw/zinc/55/75/35/551557535.db2.gz YXPREJCGPWYQCV-HNNXBMFYSA-N 1 0 390.933 2.771 20 0 GFADRO C[NH2+]C[C@@H]1CCCN(C(=O)c2cnc(Sc3nccn3C)c(Cl)c2)C1 ZINC000158977154 551559372 /nfs/dbraw/zinc/55/93/72/551559372.db2.gz BWKAHHRJQAEKCJ-LBPRGKRZSA-N 1 0 379.917 2.691 20 0 GFADRO C[C@@H](CNC(=O)c1cncc(I)c1)[N@@H+]1CCC[C@H](C)C1 ZINC000159156568 551561433 /nfs/dbraw/zinc/56/14/33/551561433.db2.gz GWLVMTMWVZQMQE-RYUDHWBXSA-N 1 0 387.265 2.536 20 0 GFADRO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)C[NH2+][C@@H](CCO)C(C)C ZINC000161909899 551600633 /nfs/dbraw/zinc/60/06/33/551600633.db2.gz QPQWMAVSQCCSBS-ZDUSSCGKSA-N 1 0 377.268 2.715 20 0 GFADRO Cc1cc(C(=O)N[C@H]2CCC[C@H]([NH3+])C2)nn1-c1ccc(Br)cc1 ZINC000162086946 551602994 /nfs/dbraw/zinc/60/29/94/551602994.db2.gz HSWWOQWOUCPMRW-KBPBESRZSA-N 1 0 377.286 2.943 20 0 GFADRO COC1(C(=O)NCCOc2c(Cl)cc(Cl)cc2Cl)CC[NH2+]CC1 ZINC000162118561 551603550 /nfs/dbraw/zinc/60/35/50/551603550.db2.gz ARPHNHZRMGQLGD-UHFFFAOYSA-N 1 0 381.687 2.910 20 0 GFADRO C[C@@H](Cn1cc(Br)cn1)[NH2+]C1CCN(Cc2ccccn2)CC1 ZINC000162247410 551605150 /nfs/dbraw/zinc/60/51/50/551605150.db2.gz BLRPMECBJCYLEX-AWEZNQCLSA-N 1 0 378.318 2.683 20 0 GFADRO C[C@H](Oc1cccc(Br)c1)C(=O)N1CCC(OCCC[NH3+])CC1 ZINC000162227081 551605203 /nfs/dbraw/zinc/60/52/03/551605203.db2.gz MJDRMPUCLDCEOL-ZDUSSCGKSA-N 1 0 385.302 2.573 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H](NC(=O)c2ccc(I)c(Cl)c2)C1 ZINC000162275763 551606043 /nfs/dbraw/zinc/60/60/43/551606043.db2.gz LQPLBTJZWSUNSC-NXEZZACHSA-N 1 0 378.641 2.944 20 0 GFADRO CN(CC1CC[NH+](C)CC1)S(=O)(=O)c1cc(F)c(Br)cc1F ZINC000162466444 551608455 /nfs/dbraw/zinc/60/84/55/551608455.db2.gz KMWPBGLSGUKZLJ-UHFFFAOYSA-N 1 0 397.285 2.690 20 0 GFADRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)S(=O)(=O)c1cc(F)c(Br)cc1F ZINC000162705889 551612213 /nfs/dbraw/zinc/61/22/13/551612213.db2.gz ITMMXPRUYNIROY-RNCFNFMXSA-N 1 0 397.285 2.688 20 0 GFADRO Cc1ccc(Br)c(NC(=O)C(=O)N(CC[NH+](C)C)CC(C)C)c1 ZINC000162808345 551613069 /nfs/dbraw/zinc/61/30/69/551613069.db2.gz ODSJHOODLRQLRP-UHFFFAOYSA-N 1 0 384.318 2.742 20 0 GFADRO CCCN(C(=O)c1cc(=O)c2cc(Br)ccc2[nH]1)C1CC[NH2+]CC1 ZINC000163284034 551618145 /nfs/dbraw/zinc/61/81/45/551618145.db2.gz NZOOEPPYAADZAA-UHFFFAOYSA-N 1 0 392.297 2.895 20 0 GFADRO CCCN(C(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1)C1CC[NH2+]CC1 ZINC000163359381 551618988 /nfs/dbraw/zinc/61/89/88/551618988.db2.gz HKPUTAMPMVILOK-UHFFFAOYSA-N 1 0 378.416 2.584 20 0 GFADRO NC(=O)CC[C@@H]1CCC[N@H+](CCC(=O)Nc2ccccc2Br)C1 ZINC000170733185 551638895 /nfs/dbraw/zinc/63/88/95/551638895.db2.gz FJBUUDQGYJGIOP-ZDUSSCGKSA-N 1 0 382.302 2.755 20 0 GFADRO Cc1c2cc(Br)ccc2oc1C(=O)N1CCN(CC[NH+](C)C)CC1 ZINC000170841956 551641031 /nfs/dbraw/zinc/64/10/31/551641031.db2.gz PBWJUTVBECGPIE-UHFFFAOYSA-N 1 0 394.313 2.823 20 0 GFADRO CCn1cc(Br)cc1C(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000170953532 551644323 /nfs/dbraw/zinc/64/43/23/551644323.db2.gz NCVDZWYIPOZRSV-MRXNPFEDSA-N 1 0 397.361 2.513 20 0 GFADRO C[C@@H](NC(=O)CN1CC[NH+](CC(C)(C)O)CC1)c1ccc(Cl)c(Cl)c1 ZINC000171153907 551648299 /nfs/dbraw/zinc/64/82/99/551648299.db2.gz VYWJPLICCHLYNG-CYBMUJFWSA-N 1 0 388.339 2.559 20 0 GFADRO CC(=O)Nc1cc(F)c(S(=O)(=O)NCCC[NH+]2CCCCC2)cc1Cl ZINC000171628785 551659501 /nfs/dbraw/zinc/65/95/01/551659501.db2.gz SIWJFNZTMYUHNJ-UHFFFAOYSA-N 1 0 391.896 2.592 20 0 GFADRO O=C(NCCC[NH+]1CCC(O)CC1)[C@@H]1C[C@@H]1c1ccc(Br)cc1 ZINC000172312869 551676036 /nfs/dbraw/zinc/67/60/36/551676036.db2.gz WKFTZGOTHKBJQE-IAGOWNOFSA-N 1 0 381.314 2.516 20 0 GFADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCc2cccc(Br)c2C1 ZINC000172477269 551679975 /nfs/dbraw/zinc/67/99/75/551679975.db2.gz XTXLOKBNHHQQRO-OAHLLOKOSA-N 1 0 396.329 2.628 20 0 GFADRO C[C@@H](C(=O)NCC(C)(C)N1CCOCC1)c1ccc(Br)s1 ZINC000173083925 551694943 /nfs/dbraw/zinc/69/49/43/551694943.db2.gz RBQIXEGTUYMQQT-LLVKDONJSA-N 1 0 375.332 2.841 20 0 GFADRO C[NH+]1CCC(CCNS(=O)(=O)c2cc(Br)c(F)cc2F)CC1 ZINC000173089427 551695355 /nfs/dbraw/zinc/69/53/55/551695355.db2.gz GFRAOGUROUMGCT-UHFFFAOYSA-N 1 0 397.285 2.738 20 0 GFADRO C[C@H]1C[C@@H](NC(=O)C(=O)Nc2ccc(Br)cc2Cl)CC[N@@H+]1C ZINC000442156498 563768449 /nfs/dbraw/zinc/76/84/49/563768449.db2.gz XCNHVQAHHRFYBC-ONGXEEELSA-N 1 0 388.693 2.640 20 0 GFADRO COc1cc(I)ccc1NC(=O)NCC[C@H]1CCC[NH2+]1 ZINC000415767706 563795642 /nfs/dbraw/zinc/79/56/42/563795642.db2.gz BBPMCLDKYSWLHO-LLVKDONJSA-N 1 0 389.237 2.563 20 0 GFADRO O=S(=O)(c1ccc(F)c(Br)c1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000173197033 552079055 /nfs/dbraw/zinc/07/90/55/552079055.db2.gz IGFCBLINDNJKCO-LBPRGKRZSA-N 1 0 391.306 2.837 20 0 GFADRO O=S(=O)(c1ccc(F)c(Br)c1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000173197017 552079232 /nfs/dbraw/zinc/07/92/32/552079232.db2.gz IGFCBLINDNJKCO-GFCCVEGCSA-N 1 0 391.306 2.837 20 0 GFADRO Cc1ccc(S(=O)(=O)N(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)c(Br)c1 ZINC000173242929 552080496 /nfs/dbraw/zinc/08/04/96/552080496.db2.gz WSDLBWPDRNJWRE-JSGCOSHPSA-N 1 0 375.332 2.718 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2ccccc2OC(F)(F)F)[C@H](C)C1 ZINC000173255566 552081206 /nfs/dbraw/zinc/08/12/06/552081206.db2.gz LQROXMDOHVLUGR-CHWSQXEVSA-N 1 0 380.432 2.936 20 0 GFADRO CC[NH+](CC)C[C@H]1CCN(C(=O)C(=O)Nc2ccc(Br)c(C)c2)C1 ZINC000173607619 552088837 /nfs/dbraw/zinc/08/88/37/552088837.db2.gz UXYBMHACKXEAOA-CQSZACIVSA-N 1 0 396.329 2.886 20 0 GFADRO Cc1ccc(S(=O)(=O)N2CCC(OCC[NH+]3CCCC3)CC2)c(Cl)c1 ZINC000173853331 552094269 /nfs/dbraw/zinc/09/42/69/552094269.db2.gz ZULMHEHCDOVEIX-UHFFFAOYSA-N 1 0 386.945 2.914 20 0 GFADRO CC[C@@H](CO)[NH+]1CCN(Cc2ncc(-c3ccc(Br)cc3)o2)CC1 ZINC000174129156 552099637 /nfs/dbraw/zinc/09/96/37/552099637.db2.gz UBYQSYNDVYMHAS-INIZCTEOSA-N 1 0 394.313 2.993 20 0 GFADRO CC[NH+](CC)[C@@H]1CCN(C(=O)c2ccc(I)c(F)c2)C1 ZINC000174146175 552100547 /nfs/dbraw/zinc/10/05/47/552100547.db2.gz NONXUJAJGHFZPL-GFCCVEGCSA-N 1 0 390.240 2.987 20 0 GFADRO O=C(CCc1cc(Br)cs1)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000174177175 552101189 /nfs/dbraw/zinc/10/11/89/552101189.db2.gz HQJQJVGOTUZTNY-ZDUSSCGKSA-N 1 0 387.343 2.624 20 0 GFADRO O=C(CSc1nc2ccccc2s1)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000174195354 552101705 /nfs/dbraw/zinc/10/17/05/552101705.db2.gz DGYKXCGSXVNWHG-CQSZACIVSA-N 1 0 377.535 2.569 20 0 GFADRO C[NH+](C)C1CCN(CCNC(=O)Nc2ccc(Br)cc2F)CC1 ZINC000175072045 552115406 /nfs/dbraw/zinc/11/54/06/552115406.db2.gz KIVZLSZJAUWCSV-UHFFFAOYSA-N 1 0 387.297 2.736 20 0 GFADRO CCOc1cc(Br)c(CC(=O)N2CC[NH2+]C(C)(C)C2)cc1OCC ZINC000175431203 552121870 /nfs/dbraw/zinc/12/18/70/552121870.db2.gz WENXYGPFBAXJAP-UHFFFAOYSA-N 1 0 399.329 2.999 20 0 GFADRO CC(C)OCC[NH+]1CCC(NS(=O)(=O)c2ccc(F)c(Cl)c2)CC1 ZINC000175451126 552122093 /nfs/dbraw/zinc/12/20/93/552122093.db2.gz ABRWKSHAFWKUKJ-UHFFFAOYSA-N 1 0 378.897 2.647 20 0 GFADRO C[C@H](CNC(=O)NC[C@H]1CCC[N@H+](C)C1)Oc1ccccc1Br ZINC000175748728 552128066 /nfs/dbraw/zinc/12/80/66/552128066.db2.gz LLOLVEJRTDWCQX-ZIAGYGMSSA-N 1 0 384.318 2.857 20 0 GFADRO [NH3+]CC[C@H](NC(=O)N1CCc2cc(Br)cc(F)c2C1)C(F)(F)F ZINC000416024866 563802597 /nfs/dbraw/zinc/80/25/97/563802597.db2.gz GLBZMYKFSQXVPO-LBPRGKRZSA-N 1 0 398.198 2.936 20 0 GFADRO CC[C@H](Cc1ccccc1Br)C(=O)NCCC[NH+]1CCC(O)CC1 ZINC000176626060 552142281 /nfs/dbraw/zinc/14/22/81/552142281.db2.gz OPVOTKYEEHBUKV-OAHLLOKOSA-N 1 0 397.357 2.981 20 0 GFADRO C[N@@H+](Cc1ccccc1Br)C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000176623831 552142618 /nfs/dbraw/zinc/14/26/18/552142618.db2.gz BUWGUOBZFKGEAP-CYBMUJFWSA-N 1 0 375.332 2.553 20 0 GFADRO O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)c1c(F)cccc1Br ZINC000176786918 552145863 /nfs/dbraw/zinc/14/58/63/552145863.db2.gz GQECPNJGLVCVIA-GFCCVEGCSA-N 1 0 385.277 2.819 20 0 GFADRO C[C@H]1C[C@H](NC(=O)c2ccc(I)c(F)c2)C[N@@H+]1C1CC1 ZINC000177147182 552150384 /nfs/dbraw/zinc/15/03/84/552150384.db2.gz CNIJDBQPVSZOIW-ONGXEEELSA-N 1 0 388.224 2.785 20 0 GFADRO O=C(Cn1cc(Br)ccc1=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000177236555 552152246 /nfs/dbraw/zinc/15/22/46/552152246.db2.gz KQMTYLUDGLYCRP-UHFFFAOYSA-N 1 0 396.329 2.524 20 0 GFADRO C[C@@H](Cn1cc(Br)cn1)[NH2+]C1CCN(C(=O)c2ccccc2)CC1 ZINC000177855324 552159865 /nfs/dbraw/zinc/15/98/65/552159865.db2.gz CJPHHTLJBCOOEP-AWEZNQCLSA-N 1 0 391.313 2.929 20 0 GFADRO C[C@H](CC(=O)N1CCN(c2ccc(Br)cn2)CC1)C1CC[NH2+]CC1 ZINC000178694876 552173601 /nfs/dbraw/zinc/17/36/01/552173601.db2.gz PWBXFRZYALRZJG-CQSZACIVSA-N 1 0 395.345 2.519 20 0 GFADRO C[C@@H](C(=O)Nc1ccc(Cl)c(Cl)c1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000178828735 552176773 /nfs/dbraw/zinc/17/67/73/552176773.db2.gz WEGAXNARDTUFGT-KBPBESRZSA-N 1 0 386.323 2.975 20 0 GFADRO C[C@@H]([NH3+])C1CCN(C(=O)c2ccc(I)c(F)c2)CC1 ZINC000178861476 552177780 /nfs/dbraw/zinc/17/77/80/552177780.db2.gz LELORAOJZKDBSI-SECBINFHSA-N 1 0 376.213 2.630 20 0 GFADRO Cc1ccc(C(=O)N2CCC(C[NH+]3CCN(C)CC3)CC2)c(Br)c1 ZINC000179010116 552182157 /nfs/dbraw/zinc/18/21/57/552182157.db2.gz IMSTZIZUUPDDNF-UHFFFAOYSA-N 1 0 394.357 2.857 20 0 GFADRO CCc1c(C(=O)N(C)[C@@H]2CC[NH2+]C2)cnn1-c1ccc(Br)cc1 ZINC000179090604 552184024 /nfs/dbraw/zinc/18/40/24/552184024.db2.gz PLHXHJLSZXHUQN-CQSZACIVSA-N 1 0 377.286 2.631 20 0 GFADRO C[NH2+]C1CCN(C(=O)[C@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000179133200 552184897 /nfs/dbraw/zinc/18/48/97/552184897.db2.gz DAGOFTAOSMIXFG-MRXNPFEDSA-N 1 0 384.307 2.808 20 0 GFADRO COCC[C@](C)(O)C[NH2+]Cc1cn(-c2ccc(Br)cc2)nc1C ZINC000179307341 552189526 /nfs/dbraw/zinc/18/95/26/552189526.db2.gz BYQSPPOFBVXGMP-KRWDZBQOSA-N 1 0 382.302 2.820 20 0 GFADRO O=C(NC1CC[NH+](Cc2cccnc2)CC1)c1ccc(Br)c(O)c1 ZINC000179331409 552190028 /nfs/dbraw/zinc/19/00/28/552190028.db2.gz IYCBNYMVGFICHS-UHFFFAOYSA-N 1 0 390.281 2.944 20 0 GFADRO C[NH+](C)C[C@@H]1CCCCN1C(=O)c1cc(I)ccc1O ZINC000179479891 552194418 /nfs/dbraw/zinc/19/44/18/552194418.db2.gz GOTQLCNRWLDTCV-LBPRGKRZSA-N 1 0 388.249 2.553 20 0 GFADRO CN(C)C(=O)C1CC[NH+](Cc2cnn(-c3ccc(Br)cc3)c2)CC1 ZINC000179685644 552200229 /nfs/dbraw/zinc/20/02/29/552200229.db2.gz CEADXPPDGYTJPG-UHFFFAOYSA-N 1 0 391.313 2.935 20 0 GFADRO O=C(C[NH2+][C@@H](CCCO)c1ccccc1)Nc1ccc(Br)cn1 ZINC000179733069 552201479 /nfs/dbraw/zinc/20/14/79/552201479.db2.gz YFSDNFNCADKEHR-HNNXBMFYSA-N 1 0 378.270 2.886 20 0 GFADRO C[N@H+](CCCO)C1CCN(C(=O)/C=C/c2ccc(Br)cc2)CC1 ZINC000179763636 552202641 /nfs/dbraw/zinc/20/26/41/552202641.db2.gz JVPWQUBRPQQBCE-VMPITWQZSA-N 1 0 381.314 2.768 20 0 GFADRO C[C@@H]([NH2+]CCS(=O)(=O)c1cccc(Br)c1)C1CCOCC1 ZINC000179843671 552204995 /nfs/dbraw/zinc/20/49/95/552204995.db2.gz GVSRFEQVZMHOMD-GFCCVEGCSA-N 1 0 376.316 2.628 20 0 GFADRO C[C@H]([NH2+]CC1CCN(S(C)(=O)=O)CC1)c1nc2ccc(Cl)cc2n1C ZINC000180075653 552211955 /nfs/dbraw/zinc/21/19/55/552211955.db2.gz ZFXREPSDQCYGSQ-LBPRGKRZSA-N 1 0 384.933 2.549 20 0 GFADRO CCn1ccnc1[C@@H](NC[C@H](C)O)c1ccc(I)cc1 ZINC000180156208 552215439 /nfs/dbraw/zinc/21/54/39/552215439.db2.gz NGTKGCYWPLJJEL-FZMZJTMJSA-N 1 0 385.249 2.567 20 0 GFADRO CCn1ccnc1[C@@H](NCC(C)(C)O)c1ccc(I)cc1 ZINC000180165160 552215718 /nfs/dbraw/zinc/21/57/18/552215718.db2.gz AXHOZXLYHRQCHF-AWEZNQCLSA-N 1 0 399.276 2.958 20 0 GFADRO O[C@@]1(C[NH2+]C2CCN(Cc3ccccc3Br)CC2)CCSC1 ZINC000180268284 552219585 /nfs/dbraw/zinc/21/95/85/552219585.db2.gz ZOKHGXJJYUFEAZ-QGZVFWFLSA-N 1 0 385.371 2.871 20 0 GFADRO CCC[N@@H+]1CC[C@@H](CNC(=O)NCCNc2cccc(Br)c2)C1 ZINC000180305613 552222291 /nfs/dbraw/zinc/22/22/91/552222291.db2.gz RKFIZXPPMXPFOP-AWEZNQCLSA-N 1 0 383.334 2.892 20 0 GFADRO Cc1cc(C[N@@H+](C)C2CCN(S(C)(=O)=O)CC2)ccc1Br ZINC000180626863 552231790 /nfs/dbraw/zinc/23/17/90/552231790.db2.gz LGFGRYYEQSDOOQ-UHFFFAOYSA-N 1 0 375.332 2.613 20 0 GFADRO C[C@@H](Cn1cc(Br)cn1)[NH2+]CCCC(=O)N1Cc2ccccc2C1 ZINC000180753994 552235051 /nfs/dbraw/zinc/23/50/51/552235051.db2.gz AXIUMKUDDHEFOO-AWEZNQCLSA-N 1 0 391.313 2.946 20 0 GFADRO CCOC(=O)CNC(=O)C1CC[NH+](Cc2ccc(C)cc2Br)CC1 ZINC000180771358 552235559 /nfs/dbraw/zinc/23/55/59/552235559.db2.gz WBERJJFTIHBZCJ-UHFFFAOYSA-N 1 0 397.313 2.649 20 0 GFADRO Cc1cc([C@@H](C)[NH2+]C2CCN(S(=O)(=O)c3cnn(C)c3)CC2)c(C)s1 ZINC000181108590 552246940 /nfs/dbraw/zinc/24/69/40/552246940.db2.gz NXWYSRASUAUKJY-CYBMUJFWSA-N 1 0 382.555 2.602 20 0 GFADRO Cc1cc([C@H](C)[NH2+]C2CCN(S(=O)(=O)c3cnn(C)c3)CC2)c(C)s1 ZINC000181108607 552247024 /nfs/dbraw/zinc/24/70/24/552247024.db2.gz NXWYSRASUAUKJY-ZDUSSCGKSA-N 1 0 382.555 2.602 20 0 GFADRO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@@H]1CC(=O)N(C2CC2)C1 ZINC000181218888 552250242 /nfs/dbraw/zinc/25/02/42/552250242.db2.gz UECXJLJGPXRBFU-BXUZGUMPSA-N 1 0 380.286 2.519 20 0 GFADRO CC1(CNC(=O)[C@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)CC[NH2+]CC1 ZINC000181274989 552252006 /nfs/dbraw/zinc/25/20/06/552252006.db2.gz XBBGCFZJUHGDKG-CYBMUJFWSA-N 1 0 384.307 2.852 20 0 GFADRO CCOc1c(Br)cc(C(=O)NCC2(C)CC[NH2+]CC2)cc1OC ZINC000181290282 552252216 /nfs/dbraw/zinc/25/22/16/552252216.db2.gz PPOZOYSNDHIUTB-UHFFFAOYSA-N 1 0 385.302 2.976 20 0 GFADRO COC(=O)CS(=O)(=O)Cc1ccc(C[NH2+][C@H](C)c2sccc2C)cc1 ZINC000181317160 552252924 /nfs/dbraw/zinc/25/29/24/552252924.db2.gz YIKCMAYWADCOJC-CQSZACIVSA-N 1 0 381.519 2.995 20 0 GFADRO C[C@@H]([NH2+]CC(=O)Nc1cccc(I)c1)c1cccnc1 ZINC000181405956 552255739 /nfs/dbraw/zinc/25/57/39/552255739.db2.gz PNJWRYSBXNPJRL-LLVKDONJSA-N 1 0 381.217 2.976 20 0 GFADRO COc1ccc([C@H](C)[NH2+]CCN(C)S(=O)(=O)c2cccs2)cc1OC ZINC000181499389 552258290 /nfs/dbraw/zinc/25/82/90/552258290.db2.gz CREWHRMIULGIAS-ZDUSSCGKSA-N 1 0 384.523 2.737 20 0 GFADRO COc1cc([C@@H](C)[NH2+]C[C@@H]2CCN(S(C)(=O)=O)C2)ccc1SC(F)F ZINC000181681748 552265238 /nfs/dbraw/zinc/26/52/38/552265238.db2.gz FRSAMRRBJTWLAX-NEPJUHHUSA-N 1 0 394.509 2.942 20 0 GFADRO Cc1oncc1C[N@@H+]1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000181751104 552267157 /nfs/dbraw/zinc/26/71/57/552267157.db2.gz ABCRALNLAMYFCK-GFCCVEGCSA-N 1 0 379.258 2.991 20 0 GFADRO C[C@H]([NH2+][C@@H](CC(N)=O)C1CCOCC1)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000181955827 552271693 /nfs/dbraw/zinc/27/16/93/552271693.db2.gz UKNDFMOPENGBGA-BONVTDFDSA-N 1 0 388.295 2.581 20 0 GFADRO NC(=O)C[C@@H]([NH2+]C[C@H](O)COc1cccc(Br)c1)C1CCCCC1 ZINC000182027502 552273215 /nfs/dbraw/zinc/27/32/15/552273215.db2.gz IDHFDULFAQHLBW-DOTOQJQBSA-N 1 0 399.329 2.603 20 0 GFADRO CC[C@H]([NH2+]CC(=O)Nc1ccccc1I)[C@H]1CCCO1 ZINC000182316805 552281004 /nfs/dbraw/zinc/28/10/04/552281004.db2.gz INBLBPMOAJLBHH-GXTWGEPZSA-N 1 0 388.249 2.777 20 0 GFADRO COC(=O)c1cc(NC(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)ccc1Br ZINC000182627084 552288941 /nfs/dbraw/zinc/28/89/41/552288941.db2.gz NMCKKTOSBTZSFV-WCQYABFASA-N 1 0 396.285 2.936 20 0 GFADRO COC(=O)c1ccc(C[NH2+]C[C@@H](O)COc2ccccc2Br)cc1 ZINC000182649989 552289604 /nfs/dbraw/zinc/28/96/04/552289604.db2.gz OFEQUAIWJBWMIW-OAHLLOKOSA-N 1 0 394.265 2.765 20 0 GFADRO CC[C@@H]([NH2+]CCc1ccc(S(=O)(=O)N(CC)CC)s1)c1nccn1C ZINC000182815990 552294064 /nfs/dbraw/zinc/29/40/64/552294064.db2.gz ATOWQNJPPYXHCF-OAHLLOKOSA-N 1 0 384.571 2.796 20 0 GFADRO COc1ccc(Br)c(C(=O)NCCC[NH2+][C@@H](C)c2nccn2C)c1 ZINC000182926237 552296310 /nfs/dbraw/zinc/29/63/10/552296310.db2.gz DXZDZARTYUYVPQ-LBPRGKRZSA-N 1 0 395.301 2.662 20 0 GFADRO C[C@@H](CCNC(=O)c1cncc(I)c1)[NH+]1CCCCC1 ZINC000183113653 552300721 /nfs/dbraw/zinc/30/07/21/552300721.db2.gz SBXOXDHKAOQGGB-LBPRGKRZSA-N 1 0 387.265 2.681 20 0 GFADRO COc1ccc(C(=O)N2CCC[N@@H+](C3CCCC3)CC2)nc1Br ZINC000183178782 552302138 /nfs/dbraw/zinc/30/21/38/552302138.db2.gz RRTMCESEFSOPPR-UHFFFAOYSA-N 1 0 382.302 2.943 20 0 GFADRO OC[C@H]([NH2+]C[C@H](O)COc1ccc(F)cc1)c1cccc(Br)c1 ZINC000183884395 552321508 /nfs/dbraw/zinc/32/15/08/552321508.db2.gz BIZNKUZPKVEKTJ-RDJZCZTQSA-N 1 0 384.245 2.651 20 0 GFADRO Cc1cccc(OC[C@H](O)C[NH2+][C@@H](CO)c2cccc(Br)c2)c1 ZINC000183892940 552321850 /nfs/dbraw/zinc/32/18/50/552321850.db2.gz DYRGYZJPKLEZQZ-AEFFLSMTSA-N 1 0 380.282 2.820 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)N[C@@H](C)CC[NH+]1CCN(C)CC1 ZINC000183964291 552324559 /nfs/dbraw/zinc/32/45/59/552324559.db2.gz CNXIUSQEADANQS-AWEZNQCLSA-N 1 0 383.334 2.905 20 0 GFADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)CCc1ccc(Br)cc1 ZINC000184333061 552332680 /nfs/dbraw/zinc/33/26/80/552332680.db2.gz OBOMIBSINYXRAV-HNNXBMFYSA-N 1 0 382.346 2.524 20 0 GFADRO C[C@@H]([NH2+][C@@H](C)c1cc2ccccc2s1)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000184351685 552333506 /nfs/dbraw/zinc/33/35/06/552333506.db2.gz HTJZIGFZDVNDLD-GZBFAFLISA-N 1 0 380.535 2.586 20 0 GFADRO COCC[N@H+](C)CCCNC(=O)Nc1cc(Br)c(C)cc1OC ZINC000184552419 552338796 /nfs/dbraw/zinc/33/87/96/552338796.db2.gz VCQGXHPCPIUTFU-UHFFFAOYSA-N 1 0 388.306 2.856 20 0 GFADRO O=S(=O)(c1sccc1Br)N1CCC[C@@H]2C[NH2+]CCC[C@H]21 ZINC000366487215 563810381 /nfs/dbraw/zinc/81/03/81/563810381.db2.gz SNVKCHUQCNXDRK-ZYHUDNBSSA-N 1 0 379.345 2.663 20 0 GFADRO NC(=O)[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000184797918 552344641 /nfs/dbraw/zinc/34/46/41/552344641.db2.gz AWJHJUYHHYNYLR-ZYHUDNBSSA-N 1 0 377.794 2.931 20 0 GFADRO Brc1ccc2[nH]c(CN3CCC(C[NH+]4CCOCC4)CC3)nc2c1 ZINC000184948763 552349049 /nfs/dbraw/zinc/34/90/49/552349049.db2.gz KDYWVAKBFYTHGT-UHFFFAOYSA-N 1 0 393.329 2.870 20 0 GFADRO Cc1cccc(NC(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)c1Br ZINC000185488547 552364486 /nfs/dbraw/zinc/36/44/86/552364486.db2.gz VAZWVPHWRMGGNT-CQSZACIVSA-N 1 0 382.302 2.944 20 0 GFADRO Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)[NH2+]CC(=O)N(C)c1nccs1 ZINC000185633756 552367658 /nfs/dbraw/zinc/36/76/58/552367658.db2.gz UBAKFQVVMKYCGV-SECBINFHSA-N 1 0 375.420 2.832 20 0 GFADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)NCCc1cc(Cl)cc(Cl)c1 ZINC000185624452 552367708 /nfs/dbraw/zinc/36/77/08/552367708.db2.gz LEWXMGXMDPWFCB-CQSZACIVSA-N 1 0 387.355 2.861 20 0 GFADRO C[NH+](C)CC(=O)N1CCN(Cc2nc(-c3ccccc3Cl)cs2)CC1 ZINC000186659031 552394346 /nfs/dbraw/zinc/39/43/46/552394346.db2.gz SFEHUPUYQSDYSC-UHFFFAOYSA-N 1 0 378.929 2.669 20 0 GFADRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)[C@@H]1C[C@@H]1c1ccc(Br)cc1 ZINC000186908946 552401203 /nfs/dbraw/zinc/40/12/03/552401203.db2.gz YYEFRPGVZAYRFE-KBRIMQKVSA-N 1 0 395.341 2.856 20 0 GFADRO O=C(NCCCC[N@H+]1CCC[C@@H]1CO)c1c[nH]nc1-c1ccc(Cl)s1 ZINC000186942070 552402209 /nfs/dbraw/zinc/40/22/09/552402209.db2.gz BVBHVRDZUGITKU-GFCCVEGCSA-N 1 0 382.917 2.758 20 0 GFADRO CC(C)[C@@H](C[NH2+][C@H](C)c1ncc(Br)cc1F)N1CCN(C)CC1 ZINC000186981526 552402893 /nfs/dbraw/zinc/40/28/93/552402893.db2.gz ZHKWVVIRMPAVNM-CZUORRHYSA-N 1 0 387.341 2.906 20 0 GFADRO CCOC(=O)N1CCC([NH2+]Cc2cccc(Cl)c2S(=O)(=O)CC)CC1 ZINC000187112186 552406490 /nfs/dbraw/zinc/40/64/90/552406490.db2.gz ZVBDMLJTOVIORT-UHFFFAOYSA-N 1 0 388.917 2.844 20 0 GFADRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)NOCc1ccc(F)cc1Br ZINC000187494672 552417225 /nfs/dbraw/zinc/41/72/25/552417225.db2.gz CUJSRPQJLWFJKT-NSHDSACASA-N 1 0 386.265 2.803 20 0 GFADRO Cc1cc(Br)cc(S(=O)(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c1 ZINC000187523826 552417525 /nfs/dbraw/zinc/41/75/25/552417525.db2.gz CHIYFFHVJSBJCA-CJNGLKHVSA-N 1 0 387.343 2.862 20 0 GFADRO CC[NH+](CC)CCn1c(=O)c2ccccc2nc1SC[C@H](O)CSC ZINC000187761527 552423789 /nfs/dbraw/zinc/42/37/89/552423789.db2.gz FPDWEVIKHGCFIK-CQSZACIVSA-N 1 0 381.567 2.554 20 0 GFADRO COc1cc(Br)ccc1CNC(=O)N(C)[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000187852604 552426721 /nfs/dbraw/zinc/42/67/21/552426721.db2.gz HQCWFELJBNIISG-WFASDCNBSA-N 1 0 384.318 2.939 20 0 GFADRO O=C(NCC1([NH+]2CCSCC2)CCCC1)C(=O)Nc1ccsc1Cl ZINC000187930508 552428384 /nfs/dbraw/zinc/42/83/84/552428384.db2.gz MQYDZRAMAZMLAB-UHFFFAOYSA-N 1 0 387.958 2.818 20 0 GFADRO COc1ccc(Br)cc1S(=O)(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000187940138 552428787 /nfs/dbraw/zinc/42/87/87/552428787.db2.gz XBCDWKBKNASKOP-UHFFFAOYSA-N 1 0 391.331 2.563 20 0 GFADRO Cc1cc(S(=O)(=O)N2CCCC[C@H](N3CC[NH+](C)CC3)C2)sc1Cl ZINC000188146960 552436991 /nfs/dbraw/zinc/43/69/91/552436991.db2.gz OYBHHCNHYPICRX-AWEZNQCLSA-N 1 0 391.990 2.501 20 0 GFADRO CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)Nc1nc(-c2cccs2)cs1 ZINC000188209896 552439229 /nfs/dbraw/zinc/43/92/29/552439229.db2.gz AIQQQFVAOMQFID-UHFFFAOYSA-N 1 0 378.523 2.753 20 0 GFADRO C[C@@H](Cc1ccc(Br)cc1)[NH2+][C@@H]1CCN(c2cnn(C)c2)C1=O ZINC000188285696 552441197 /nfs/dbraw/zinc/44/11/97/552441197.db2.gz GWCSQAGRSJXQJP-BLLLJJGKSA-N 1 0 377.286 2.509 20 0 GFADRO C[C@H]1CN(C(=O)CCc2cc(Br)cs2)CC[N@@H+]1CC(C)(C)O ZINC000188717124 552453267 /nfs/dbraw/zinc/45/32/67/552453267.db2.gz UCORWNXJOUREKM-LBPRGKRZSA-N 1 0 389.359 2.747 20 0 GFADRO C[NH+](C)C[C@](C)(O)CNC(=O)C1(c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000188882667 552457610 /nfs/dbraw/zinc/45/76/10/552457610.db2.gz DCMWYMVKVMHHDV-OAHLLOKOSA-N 1 0 378.822 2.819 20 0 GFADRO Fc1cc(Br)cc(OCC[N@@H+]2CCC[C@@H]2CN2CCOCC2)c1 ZINC000189041439 552461503 /nfs/dbraw/zinc/46/15/03/552461503.db2.gz KYCNQNTYEXZNIG-MRXNPFEDSA-N 1 0 387.293 2.764 20 0 GFADRO O=C(NCCC[NH+]1CCCC1)C1CCN(C(=O)c2csc(Cl)c2)CC1 ZINC000189091306 552463067 /nfs/dbraw/zinc/46/30/67/552463067.db2.gz FVSIISVJYBDKPZ-UHFFFAOYSA-N 1 0 383.945 2.856 20 0 GFADRO Cc1ccc(Br)c(S(=O)(=O)N[C@@H](C)C[NH+]2CCCCC2)c1 ZINC000189126034 552463590 /nfs/dbraw/zinc/46/35/90/552463590.db2.gz PGPFVGTXINMGQP-ZDUSSCGKSA-N 1 0 375.332 2.910 20 0 GFADRO O=C(NCC1([NH+]2CCCCC2)CCOCC1)c1csc(C(F)(F)F)n1 ZINC000189371094 552469783 /nfs/dbraw/zinc/46/97/83/552469783.db2.gz QJCJBLCJUBOMAJ-UHFFFAOYSA-N 1 0 377.432 2.927 20 0 GFADRO CC1CC[NH+](CCCNC(=O)Nc2ccc(Cl)c(S(C)(=O)=O)c2)CC1 ZINC000189880744 552481660 /nfs/dbraw/zinc/48/16/60/552481660.db2.gz ZWOLUNHTGKDSOT-UHFFFAOYSA-N 1 0 387.933 2.987 20 0 GFADRO CCO[C@H]1C[C@](CO)([NH2+]CC(=O)Nc2ccc(Br)cc2)C1(C)C ZINC000189967236 552483742 /nfs/dbraw/zinc/48/37/42/552483742.db2.gz VKKYREZJJXTFPE-WMLDXEAASA-N 1 0 385.302 2.543 20 0 GFADRO O=C(Nc1ccc(F)c(Br)c1)C(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000190012138 552484747 /nfs/dbraw/zinc/48/47/47/552484747.db2.gz ANOVRYRNPKWQGD-ZDUSSCGKSA-N 1 0 398.276 2.614 20 0 GFADRO O=S(=O)(c1ccc(CC(F)(F)F)cc1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000190001113 552484780 /nfs/dbraw/zinc/48/47/80/552484780.db2.gz GGNKYMFQFLSVOE-OAHLLOKOSA-N 1 0 376.444 2.898 20 0 GFADRO O=C(NCCCC[NH+]1CCOCC1)C1(c2ccccc2Br)CC1 ZINC000190292029 552491849 /nfs/dbraw/zinc/49/18/49/552491849.db2.gz RZHMVSTXVPXQQY-UHFFFAOYSA-N 1 0 381.314 2.709 20 0 GFADRO CCN1CCN(C(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc(Br)cc2OC)CC1 ZINC000190446169 552496363 /nfs/dbraw/zinc/49/63/63/552496363.db2.gz HQZHGNBJRZYHOX-UONOGXRCSA-N 1 0 398.345 2.661 20 0 GFADRO Cc1nnsc1C(=O)NC1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000190531711 552499638 /nfs/dbraw/zinc/49/96/38/552499638.db2.gz GNEUDUVJKCOBRA-UHFFFAOYSA-N 1 0 380.901 2.773 20 0 GFADRO CN1CCN(C(=O)CC[NH2+][C@@H](c2ccc(Br)s2)C2CC2)CC1 ZINC000190598848 552502895 /nfs/dbraw/zinc/50/28/95/552502895.db2.gz ZEHWQWCHVDBCKY-MRXNPFEDSA-N 1 0 386.359 2.715 20 0 GFADRO CCS(=O)(=O)N1CC(C[NH2+][C@@H](C)c2ccc(SCC(F)F)cc2)C1 ZINC000190667676 552505282 /nfs/dbraw/zinc/50/52/82/552505282.db2.gz AXVRSPJTMOLBFO-LBPRGKRZSA-N 1 0 378.510 2.976 20 0 GFADRO CCS(=O)(=O)N1CC(C[NH2+][C@H](C)c2cc(Cl)ccc2OC(F)F)C1 ZINC000190678262 552505875 /nfs/dbraw/zinc/50/58/75/552505875.db2.gz AMQAZYXWDVOYDY-SNVBAGLBSA-N 1 0 382.860 2.874 20 0 GFADRO CCS(=O)(=O)N1CC(C[NH2+][C@H](C)CCc2cccc(C(F)(F)F)c2)C1 ZINC000190684866 552506016 /nfs/dbraw/zinc/50/60/16/552506016.db2.gz ZHMVNIPXUJJWDM-CYBMUJFWSA-N 1 0 378.460 2.898 20 0 GFADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)CCc1ccncn1 ZINC000191212738 552521741 /nfs/dbraw/zinc/52/17/41/552521741.db2.gz NUFADRFKRIXIIV-UHFFFAOYSA-N 1 0 391.313 2.762 20 0 GFADRO CCOc1cc(Br)c(CC(=O)N2CCC[C@@H]([NH3+])C2)cc1OCC ZINC000191324480 552524712 /nfs/dbraw/zinc/52/47/12/552524712.db2.gz GWRLGDHCBZLDHP-CYBMUJFWSA-N 1 0 385.302 2.739 20 0 GFADRO C[NH+]1CCN(CCNC(=O)C(C)(C)COc2cc(Cl)cc(Cl)c2)CC1 ZINC000191574737 552531887 /nfs/dbraw/zinc/53/18/87/552531887.db2.gz GIAIXZSJRLCHBB-UHFFFAOYSA-N 1 0 388.339 2.762 20 0 GFADRO Cc1csc(C(=O)N2CC[C@@H](C[NH+](C)C)C2)c1I ZINC000191651979 552533894 /nfs/dbraw/zinc/53/38/94/552533894.db2.gz XTHYSCJJMCVWFR-JTQLQIEISA-N 1 0 378.279 2.685 20 0 GFADRO C[NH+](C)C[C@H]1CCN(C(=O)c2nc(Br)ccc2Br)C1 ZINC000191794576 552538482 /nfs/dbraw/zinc/53/84/82/552538482.db2.gz CTDJKUYQEHKGHC-SECBINFHSA-N 1 0 391.107 2.630 20 0 GFADRO O=S(=O)(CCO)c1ccc(C[NH2+]Cc2cc(Br)cs2)cc1 ZINC000191848725 552539907 /nfs/dbraw/zinc/53/99/07/552539907.db2.gz MDMYQXIWPAPBHQ-UHFFFAOYSA-N 1 0 390.324 2.566 20 0 GFADRO COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000191914091 552542092 /nfs/dbraw/zinc/54/20/92/552542092.db2.gz MIVUMHPSIBFPEI-LLVKDONJSA-N 1 0 388.295 2.931 20 0 GFADRO CC[NH+]1CCC(N(c2ccccc2)S(=O)(=O)c2ncn(C)c2Cl)CC1 ZINC000191977000 552544786 /nfs/dbraw/zinc/54/47/86/552544786.db2.gz NKBJWZMMKBQEBQ-UHFFFAOYSA-N 1 0 382.917 2.753 20 0 GFADRO COC(=O)[C@@H](c1ccc(Cl)c(Cl)c1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000192059867 552548375 /nfs/dbraw/zinc/54/83/75/552548375.db2.gz UJZFUHNNBZPTCJ-SUMWQHHRSA-N 1 0 387.307 2.862 20 0 GFADRO CC(C)[N@@H+](CCc1nccs1)CCN(Cc1ccccc1)S(C)(=O)=O ZINC000192129327 552552503 /nfs/dbraw/zinc/55/25/03/552552503.db2.gz HSMWFWVKZFSEED-UHFFFAOYSA-N 1 0 381.567 2.858 20 0 GFADRO CN1C(=O)C[C@H]([NH2+]CC(=O)NCc2cccs2)[C@H]1c1ccc(Cl)cc1 ZINC000192150686 552553573 /nfs/dbraw/zinc/55/35/73/552553573.db2.gz RAKWXAAOGURJMF-MAUKXSAKSA-N 1 0 377.897 2.579 20 0 GFADRO Cn1nc(Br)cc1C(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1 ZINC000192309835 552559359 /nfs/dbraw/zinc/55/93/59/552559359.db2.gz LXRMHNIULQMRQY-UHFFFAOYSA-N 1 0 383.265 2.526 20 0 GFADRO C[NH+](C)CCN(Cc1cccc(O)c1)C(=O)c1ncc(Br)s1 ZINC000192435462 552564132 /nfs/dbraw/zinc/56/41/32/552564132.db2.gz UKNSZMJYGZGOAO-UHFFFAOYSA-N 1 0 384.299 2.815 20 0 GFADRO C[N@H+]1C[C@H]2CN(C(=O)CCOc3ccc(Cl)cc3Br)C[C@H]2C1 ZINC000192540407 552566190 /nfs/dbraw/zinc/56/61/90/552566190.db2.gz MHZRKTHVLPSZPJ-TXEJJXNPSA-N 1 0 387.705 2.891 20 0 GFADRO COc1ccc(Br)c(C(=O)NCCC[NH2+][C@H]2CCOC[C@H]2C)c1 ZINC000192537928 552566362 /nfs/dbraw/zinc/56/63/62/552566362.db2.gz NISWYIVZSTXDII-WBMJQRKESA-N 1 0 385.302 2.592 20 0 GFADRO CC[N@H+](CCNS(=O)(=O)c1cc(Br)c(C)cc1OC)C(C)C ZINC000444179596 563823481 /nfs/dbraw/zinc/82/34/81/563823481.db2.gz ZPWQXACPHAZGAV-UHFFFAOYSA-N 1 0 393.347 2.775 20 0 GFADRO C[C@H]([NH2+]CCN1CCOC[C@H]1C)c1cc2c(cc1Br)OCCO2 ZINC000192780811 552973560 /nfs/dbraw/zinc/97/35/60/552973560.db2.gz ZCMZVVDVKFDGFB-OLZOCXBDSA-N 1 0 385.302 2.592 20 0 GFADRO CCN(CCC[NH+](C)C)S(=O)(=O)c1cc(F)c(Br)cc1OC ZINC000192942747 552978574 /nfs/dbraw/zinc/97/85/74/552978574.db2.gz AFDUOANAKXQKHV-UHFFFAOYSA-N 1 0 397.310 2.559 20 0 GFADRO Cc1cc(F)c(Br)cc1S(=O)(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000193271536 552988254 /nfs/dbraw/zinc/98/82/54/552988254.db2.gz TWWSGMUPNVFIQO-NSHDSACASA-N 1 0 379.295 2.565 20 0 GFADRO Cc1cc(F)c(Br)cc1S(=O)(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000193283873 552989018 /nfs/dbraw/zinc/98/90/18/552989018.db2.gz BTIBCVOBODRUPS-GHMZBOCLSA-N 1 0 379.295 2.645 20 0 GFADRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2ncccc2Br)[C@H](C)C1 ZINC000193280462 552989215 /nfs/dbraw/zinc/98/92/15/552989215.db2.gz SXARORLWNWYJPZ-UKRRQHHQSA-N 1 0 384.318 2.711 20 0 GFADRO CC(C)([NH3+])CNS(=O)(=O)c1cc(Br)c(Cl)cc1Cl ZINC000193296207 552989384 /nfs/dbraw/zinc/98/93/84/552989384.db2.gz RRNMRBGCTBSBLS-UHFFFAOYSA-N 1 0 376.103 2.772 20 0 GFADRO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000193321817 552990001 /nfs/dbraw/zinc/99/00/01/552990001.db2.gz TYQHGRHGYKHBPZ-WFASDCNBSA-N 1 0 390.933 2.550 20 0 GFADRO Cc1c(C(=O)N[C@H]2CCC[NH2+][C@H]2C)cnn1-c1cccc(Br)c1 ZINC000193648193 552999369 /nfs/dbraw/zinc/99/93/69/552999369.db2.gz ZKSQVGKRXXPFLV-ZBEGNZNMSA-N 1 0 377.286 2.814 20 0 GFADRO O=S(=O)(NC1CC[NH+](CC2CC2)CC1)c1ccc(F)cc1Br ZINC000193907604 553006324 /nfs/dbraw/zinc/00/63/24/553006324.db2.gz XYOGHJVUGPWZIP-UHFFFAOYSA-N 1 0 391.306 2.741 20 0 GFADRO O=C(NCc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccoc1Br ZINC000193898610 553006530 /nfs/dbraw/zinc/00/65/30/553006530.db2.gz WEXNCHUIHOIVTC-AWEZNQCLSA-N 1 0 379.254 2.539 20 0 GFADRO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@H](C)CN1CCCC1=O ZINC000194067163 553010955 /nfs/dbraw/zinc/01/09/55/553010955.db2.gz JZZLAGLPQNEGIG-CHWSQXEVSA-N 1 0 382.302 2.767 20 0 GFADRO COCC[N@H+](C)CCCNC(=O)Nc1ccc(Br)c(C)c1F ZINC000194212009 553014820 /nfs/dbraw/zinc/01/48/20/553014820.db2.gz JNNUCBYWHDWLNT-UHFFFAOYSA-N 1 0 376.270 2.986 20 0 GFADRO [NH3+]CCc1nc(C(=O)NCCCc2ccc(Br)cc2F)cs1 ZINC000194807152 553030338 /nfs/dbraw/zinc/03/03/38/553030338.db2.gz ZHLFGLHTSOLDRT-UHFFFAOYSA-N 1 0 386.290 2.909 20 0 GFADRO C[NH+]1CCN(c2ncccc2CNC(=O)c2cc(Br)cs2)CC1 ZINC000195052834 553036798 /nfs/dbraw/zinc/03/67/98/553036798.db2.gz MZUZMSXEOLXERU-UHFFFAOYSA-N 1 0 395.326 2.587 20 0 GFADRO CC(=O)NCc1ccc(-c2nc(NC(=O)[C@@H]3CCCC[NH2+]3)sc2C)s1 ZINC000195246329 553042633 /nfs/dbraw/zinc/04/26/33/553042633.db2.gz SQBWZHOSXAFXCV-ZDUSSCGKSA-N 1 0 378.523 2.897 20 0 GFADRO C[C@]1(CNC(=O)c2ccc(F)cc2I)CCC[NH2+]C1 ZINC000230067651 553064272 /nfs/dbraw/zinc/06/42/72/553064272.db2.gz VBLVSMIYEWOSGS-AWEZNQCLSA-N 1 0 376.213 2.550 20 0 GFADRO [NH3+][C@@H]1CCC[C@H]2CN(S(=O)(=O)c3ccc(Br)cc3Cl)C[C@H]21 ZINC000228541844 553063853 /nfs/dbraw/zinc/06/38/53/553063853.db2.gz XKHUCXBRCZRJHG-UFGOTCBOSA-N 1 0 393.734 2.850 20 0 GFADRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)c1ccc(I)c(Cl)c1 ZINC000228768966 553063902 /nfs/dbraw/zinc/06/39/02/553063902.db2.gz VQANAOOUWJAWPR-DTWKUNHWSA-N 1 0 378.641 2.754 20 0 GFADRO CC1CC[NH+](CCNS(=O)(=O)c2ccc(Br)c(F)c2)CC1 ZINC000230598561 553065268 /nfs/dbraw/zinc/06/52/68/553065268.db2.gz LWYJEOCJFFPNBN-UHFFFAOYSA-N 1 0 379.295 2.598 20 0 GFADRO CCOc1c(Br)cc(C[NH2+][C@@H](CO)COC)cc1Br ZINC000233772079 553067255 /nfs/dbraw/zinc/06/72/55/553067255.db2.gz XYUZEAPCUWDBIT-JTQLQIEISA-N 1 0 397.107 2.707 20 0 GFADRO C[C@H]1C[C@H](NS(=O)(=O)c2ccc(Cl)c(Br)c2)CC[N@@H+]1C ZINC000235668660 553068700 /nfs/dbraw/zinc/06/87/00/553068700.db2.gz QGGMZGKRDMRBJM-VHSXEESVSA-N 1 0 381.723 2.864 20 0 GFADRO CC(C)C[C@@](C)(C[NH3+])NC(=O)COc1ccc(I)cc1 ZINC000236668558 553070248 /nfs/dbraw/zinc/07/02/48/553070248.db2.gz WESBRPCZTHPYIK-HNNXBMFYSA-N 1 0 390.265 2.550 20 0 GFADRO O=C(NC[C@H]1CCC[NH2+]C1)C1(c2ccc(Br)cc2)CCOCC1 ZINC000236676996 553070300 /nfs/dbraw/zinc/07/03/00/553070300.db2.gz GYHAIJCIRJYMJA-AWEZNQCLSA-N 1 0 381.314 2.613 20 0 GFADRO CC(C)C[C@@](C)(C[NH3+])NC(=O)c1cc(=O)c2cc(Br)ccc2[nH]1 ZINC000236700251 553070752 /nfs/dbraw/zinc/07/07/52/553070752.db2.gz XCEZTRQBIOFCJL-KRWDZBQOSA-N 1 0 380.286 2.784 20 0 GFADRO CCCC[C@H](C[NH3+])NS(=O)(=O)c1cc(Br)c(C)cc1OC ZINC000236745071 553070929 /nfs/dbraw/zinc/07/09/29/553070929.db2.gz YGJIQYOTCWOUHC-LLVKDONJSA-N 1 0 379.320 2.562 20 0 GFADRO CC(C)c1ccc([C@@H]([NH3+])CNC(=O)Cn2cc(Br)ccc2=O)cc1 ZINC000236721460 553071174 /nfs/dbraw/zinc/07/11/74/553071174.db2.gz UPDDWBJDHOCYHD-INIZCTEOSA-N 1 0 392.297 2.550 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000236828259 553071528 /nfs/dbraw/zinc/07/15/28/553071528.db2.gz LQRLRZAMOZDHFI-QLFBSQMISA-N 1 0 384.567 2.560 20 0 GFADRO CCC(CC)(C[NH3+])NC(=O)c1cc(S(=O)(=O)NC(C)(C)C)ccc1Cl ZINC000236786947 553071782 /nfs/dbraw/zinc/07/17/82/553071782.db2.gz KKBZCRFYAMGSJH-UHFFFAOYSA-N 1 0 389.949 2.664 20 0 GFADRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)c1cc(=O)c2cc(Br)ccc2[nH]1 ZINC000236780629 553071800 /nfs/dbraw/zinc/07/18/00/553071800.db2.gz WRKKYUGSPNXXPO-ZDUSSCGKSA-N 1 0 380.286 2.736 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)N1CCCC[C@@H]1C[NH3+] ZINC000236827727 553071823 /nfs/dbraw/zinc/07/18/23/553071823.db2.gz DNKRJJXYYRZFHG-HUUCEWRRSA-N 1 0 384.567 2.691 20 0 GFADRO COc1ccc(Br)cc1C(=O)CCC(=O)NC1(C[NH3+])CCCC1 ZINC000237110245 553075013 /nfs/dbraw/zinc/07/50/13/553075013.db2.gz VWXGECHNSVTHQM-UHFFFAOYSA-N 1 0 383.286 2.808 20 0 GFADRO COc1cc(C[NH2+]C[C@@H]2CCCOC2)cc(I)c1OC ZINC000237243610 553076034 /nfs/dbraw/zinc/07/60/34/553076034.db2.gz KRQOBZNZXQDQIS-NSHDSACASA-N 1 0 391.249 2.825 20 0 GFADRO COc1cc(C[NH2+]C[C@H]2CCCOC2)cc(I)c1OC ZINC000237279121 553076422 /nfs/dbraw/zinc/07/64/22/553076422.db2.gz KRQOBZNZXQDQIS-LLVKDONJSA-N 1 0 391.249 2.825 20 0 GFADRO C[C@@H](NC(=O)[C@@]1(C)CCC[NH2+]C1)c1cc2c(cc1Br)OCCO2 ZINC000237399404 553076987 /nfs/dbraw/zinc/07/69/87/553076987.db2.gz IQHNJWZTRVLUFE-DIFFPNOSSA-N 1 0 383.286 2.787 20 0 GFADRO C[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2CC(=O)N(c3cc(Cl)cc(Cl)c3)C2)C1 ZINC000237342398 553077178 /nfs/dbraw/zinc/07/71/78/553077178.db2.gz MDMZATFQMAIVKE-CHWSQXEVSA-N 1 0 384.307 2.804 20 0 GFADRO Cc1c(C(=O)N2C[C@@H](C)[NH2+]C[C@@H]2C)cnn1-c1cccc(Br)c1 ZINC000237382254 553077255 /nfs/dbraw/zinc/07/72/55/553077255.db2.gz QPRKOGPZUDWKAL-NEPJUHHUSA-N 1 0 377.286 2.766 20 0 GFADRO C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)C2CC[NH2+]CC2)CC1 ZINC000237415233 553077651 /nfs/dbraw/zinc/07/76/51/553077651.db2.gz ATFXHPFVWPZLRN-CQSZACIVSA-N 1 0 380.330 2.654 20 0 GFADRO C[C@@H]1CN(C(=O)CCC[S@](=O)c2ccc(Br)cc2)[C@@H](C)C[NH2+]1 ZINC000237407869 553077714 /nfs/dbraw/zinc/07/77/14/553077714.db2.gz XVRNEZFTDUXBNY-IFMYKAFSSA-N 1 0 387.343 2.546 20 0 GFADRO C[C@@H](CC(=O)NCC(=O)Nc1ccc(Br)cc1)[C@@H]1CCC[NH2+]C1 ZINC000237404387 553077737 /nfs/dbraw/zinc/07/77/37/553077737.db2.gz IKGPFYXZDQXPDC-QWHCGFSZSA-N 1 0 382.302 2.530 20 0 GFADRO Cc1nn(Cc2cccc(Br)c2)c(C)c1C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000237530735 553078909 /nfs/dbraw/zinc/07/89/09/553078909.db2.gz WYQOHVNZMLHLQR-LBPRGKRZSA-N 1 0 391.313 2.745 20 0 GFADRO Cc1nc(CCC(=O)N2CC[C@H]([NH3+])C2)oc1-c1ccc(Br)cc1 ZINC000237624837 553080039 /nfs/dbraw/zinc/08/00/39/553080039.db2.gz QNDSGDYUKSPRMC-AWEZNQCLSA-N 1 0 378.270 2.905 20 0 GFADRO C[C@H](CC(=O)NCCC(=O)Nc1ccc(Br)cc1)[C@@H]1CCC[NH2+]C1 ZINC000237615494 553080125 /nfs/dbraw/zinc/08/01/25/553080125.db2.gz OIWRALSFSWPUPG-ZIAGYGMSSA-N 1 0 396.329 2.920 20 0 GFADRO C[C@]1(C(=O)Nc2ccc(CCn3cc(Br)cn3)cc2)CC[NH2+]C1 ZINC000237607152 553080161 /nfs/dbraw/zinc/08/01/61/553080161.db2.gz FDTKKFLWJAXVIK-KRWDZBQOSA-N 1 0 377.286 2.826 20 0 GFADRO Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)NCCN1CC[NH2+]CC1 ZINC000237678681 553080629 /nfs/dbraw/zinc/08/06/29/553080629.db2.gz BSADGTHLGFMKBS-UHFFFAOYSA-N 1 0 383.279 2.592 20 0 GFADRO Cc1nn(-c2ccc(C(=O)N3CCC[NH2+]CC3)cc2)c(C)c1Br ZINC000237658132 553080701 /nfs/dbraw/zinc/08/07/01/553080701.db2.gz CLDWOIDBFLXZDU-UHFFFAOYSA-N 1 0 377.286 2.687 20 0 GFADRO O=C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cc(F)c(F)cc1I ZINC000237698711 553080713 /nfs/dbraw/zinc/08/07/13/553080713.db2.gz HAGOAWVKVYHFKY-JVHMLUBASA-N 1 0 392.187 2.582 20 0 GFADRO [NH3+]CC1CCN(C(=O)[C@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000237807898 553082237 /nfs/dbraw/zinc/08/22/37/553082237.db2.gz VVSVUQYOMRQKOR-MRXNPFEDSA-N 1 0 384.307 2.795 20 0 GFADRO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)N[C@H]1CCC[C@@H]1C[NH3+] ZINC000237847781 553082792 /nfs/dbraw/zinc/08/27/92/553082792.db2.gz GNPNIOBMNRPSIY-MFKMUULPSA-N 1 0 379.254 2.721 20 0 GFADRO Cc1c(C(=O)N[C@](C)(C[NH3+])C2CC2)cnn1-c1cccc(Br)c1 ZINC000237852028 553082953 /nfs/dbraw/zinc/08/29/53/553082953.db2.gz MPOPSMDZGYBDKW-QGZVFWFLSA-N 1 0 377.286 2.800 20 0 GFADRO [NH3+][C@@H]1CCCCCC[C@H]1C(=O)N1CCN(c2ccc(Br)cn2)CC1 ZINC000237886592 553083633 /nfs/dbraw/zinc/08/36/33/553083633.db2.gz ARPGDPSUAMDUSS-HZPDHXFCSA-N 1 0 395.345 2.790 20 0 GFADRO [NH3+][C@@H](CNC(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1)C1CC1 ZINC000238013574 553084946 /nfs/dbraw/zinc/08/49/46/553084946.db2.gz SGBJNKKQUZIXDC-BBRMVZONSA-N 1 0 384.307 2.699 20 0 GFADRO O[C@@H](C[NH2+]Cc1nc(-c2cccc(Br)c2)c[nH]1)C1CCOCC1 ZINC000238080051 553085761 /nfs/dbraw/zinc/08/57/61/553085761.db2.gz MAPCLHUHCQPVQM-INIZCTEOSA-N 1 0 380.286 2.716 20 0 GFADRO COc1ccc(Br)cc1[C@H]1CCC[N@@H+]1C[C@@H](O)Cn1cccn1 ZINC000245200368 553089212 /nfs/dbraw/zinc/08/92/12/553089212.db2.gz ZWVXUISJDAOVMX-GDBMZVCRSA-N 1 0 380.286 2.852 20 0 GFADRO C[C@H](C(=O)Nc1cccc(Br)c1)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000245427436 553089869 /nfs/dbraw/zinc/08/98/69/553089869.db2.gz MAKMYWRVEMLDRD-RNCFNFMXSA-N 1 0 381.192 2.775 20 0 GFADRO C[C@@H](C(=O)Nc1ccc(Br)cc1)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000245440899 553090539 /nfs/dbraw/zinc/09/05/39/553090539.db2.gz UZETYDDPJULFIE-ZANVPECISA-N 1 0 381.192 2.775 20 0 GFADRO CC[NH+](CC)C[C@@H]1CCN([C@@H](C(N)=O)c2ccc(Br)cc2F)C1 ZINC000245459602 553090565 /nfs/dbraw/zinc/09/05/65/553090565.db2.gz VKFKUQICDBKXRB-BLLLJJGKSA-N 1 0 386.309 2.778 20 0 GFADRO CC(C)n1cnc(S(=O)(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)c1 ZINC000245517913 553091468 /nfs/dbraw/zinc/09/14/68/553091468.db2.gz AIBHFVYNNOBLGE-WMLDXEAASA-N 1 0 382.555 2.887 20 0 GFADRO CC1(C)[C@H]([NH2+]C[C@H](O)COc2ccccc2Br)[C@@H]2CCCO[C@H]21 ZINC000245846053 553097888 /nfs/dbraw/zinc/09/78/88/553097888.db2.gz FOEBGTNCDDXBEV-WRFANHODSA-N 1 0 384.314 2.982 20 0 GFADRO C[C@H](C(=O)Nc1ccc(I)cc1)N(C)C[C@H]1CCCO1 ZINC000246080422 553102245 /nfs/dbraw/zinc/10/22/45/553102245.db2.gz FGXAPJWRYNHYRV-BXUZGUMPSA-N 1 0 388.249 2.729 20 0 GFADRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@H]1CSCCS1 ZINC000246232676 553104258 /nfs/dbraw/zinc/10/42/58/553104258.db2.gz MVGRTRGRBUBDOV-ROUUACIJSA-N 1 0 379.595 2.999 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H](C(=O)NC[C@@H]2CCN(c3cccc(Br)c3)C2)C1 ZINC000246221765 553104606 /nfs/dbraw/zinc/10/46/06/553104606.db2.gz GUCPJMQFXPLEAB-SQWLQELKSA-N 1 0 380.330 2.909 20 0 GFADRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)S(=O)(=O)c1cc(Br)c(F)cc1F ZINC000246243003 553105093 /nfs/dbraw/zinc/10/50/93/553105093.db2.gz RVMQJCZFFWZURV-TVQRCGJNSA-N 1 0 397.285 2.688 20 0 GFADRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)S(=O)(=O)c1ccc(OC(F)F)c(Cl)c1 ZINC000246257928 553105164 /nfs/dbraw/zinc/10/51/64/553105164.db2.gz TZKUPRJXJWHTDM-GXFFZTMASA-N 1 0 382.860 2.902 20 0 GFADRO O[C@@H](CN1CCOCC1)C[N@@H+]1CCC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000246332652 553106592 /nfs/dbraw/zinc/10/65/92/553106592.db2.gz DQAYKNGXUWEYJV-GOEBONIOSA-N 1 0 389.323 2.530 20 0 GFADRO CC(=O)N1CC[C@H](C[N@@H+](C)[C@H](C)C(=O)Nc2ccccc2Br)C1 ZINC000246453672 553107885 /nfs/dbraw/zinc/10/78/85/553107885.db2.gz IZMCELHOILYVTQ-TZMCWYRMSA-N 1 0 382.302 2.576 20 0 GFADRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2csc(I)c2)C1 ZINC000246551095 553109261 /nfs/dbraw/zinc/10/92/61/553109261.db2.gz GWAWKKKMTDDNFG-CMPLNLGQSA-N 1 0 390.290 2.909 20 0 GFADRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CNC(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000246894721 553115046 /nfs/dbraw/zinc/11/50/46/553115046.db2.gz JFLQWYDHLUHBRX-BBRMVZONSA-N 1 0 384.307 2.666 20 0 GFADRO C[N@H+](C[C@H](O)COC[C@H]1CCCO1)CC1(c2ccc(Br)cc2)CC1 ZINC000247043913 553117888 /nfs/dbraw/zinc/11/78/88/553117888.db2.gz RSTXXMVGPAMZOQ-ZWKOTPCHSA-N 1 0 398.341 2.969 20 0 GFADRO C[N@H+](C[C@@H](O)COC[C@H]1CCCO1)CC1(c2ccc(Br)cc2)CC1 ZINC000247043892 553117981 /nfs/dbraw/zinc/11/79/81/553117981.db2.gz RSTXXMVGPAMZOQ-QZTJIDSGSA-N 1 0 398.341 2.969 20 0 GFADRO CC(=O)N1CC[C@H](C[N@@H+](C)CC(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)C1 ZINC000247041701 553118081 /nfs/dbraw/zinc/11/80/81/553118081.db2.gz VBBQQOVYJUUOCH-GXTWGEPZSA-N 1 0 386.323 2.971 20 0 GFADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)COc3ccc(C=O)cc3Br)CC[C@H]21 ZINC000248010057 553127171 /nfs/dbraw/zinc/12/71/71/553127171.db2.gz LEXCAJBCRRDNOO-GDBMZVCRSA-N 1 0 395.297 2.583 20 0 GFADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CCc2cccc(Br)c2)C1 ZINC000248215539 553128418 /nfs/dbraw/zinc/12/84/18/553128418.db2.gz GCUTXMOWUROGLL-KRWDZBQOSA-N 1 0 383.330 2.855 20 0 GFADRO O[C@H](COc1ccccc1C(F)(F)F)C[N@@H+]1CCS[C@H]2COCC[C@H]21 ZINC000248456025 553130096 /nfs/dbraw/zinc/13/00/96/553130096.db2.gz LHHRBQRHWNKTSL-BJJXKVORSA-N 1 0 377.428 2.651 20 0 GFADRO Cc1c(C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cnn1-c1cccc(Br)c1 ZINC000248578782 553130988 /nfs/dbraw/zinc/13/09/88/553130988.db2.gz DZQJXEBETMAGPA-ZLIFDBKOSA-N 1 0 389.297 2.753 20 0 GFADRO CN(C[C@H](O)C(F)(F)F)C(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000248667483 553133254 /nfs/dbraw/zinc/13/32/54/553133254.db2.gz XAWCMQVRZLTCFJ-XBFCOCLRSA-N 1 0 379.448 2.696 20 0 GFADRO C[C@H](CC(=O)Nc1cccc(Br)c1)[N@H+](C)[C@H](C)C[S@@](C)=O ZINC000248885130 553136902 /nfs/dbraw/zinc/13/69/02/553136902.db2.gz PZURYRQDGCKPFF-JWCBKOKGSA-N 1 0 375.332 2.865 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(Br)c(C)c2)[C@@H](C)C1 ZINC000249245989 553141055 /nfs/dbraw/zinc/14/10/55/553141055.db2.gz XFGMZSFDALHMQX-BBRMVZONSA-N 1 0 396.329 2.885 20 0 GFADRO C[C@H]1CN(C[C@@H](O)COc2ccc(Cl)cc2Cl)CC[N@@H+]1CC(C)(C)O ZINC000249320975 553142227 /nfs/dbraw/zinc/14/22/27/553142227.db2.gz GDRNZZQGMHSFKW-DZGCQCFKSA-N 1 0 391.339 2.510 20 0 GFADRO [NH3+][C@@H]1CC[C@H]2CN(S(=O)(=O)c3cc(Cl)ccc3OCCC3CC3)C[C@H]12 ZINC000249428491 553142677 /nfs/dbraw/zinc/14/26/77/553142677.db2.gz DSPOKILGKFUCLX-CWRNSKLLSA-N 1 0 384.929 2.877 20 0 GFADRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000249400558 553143081 /nfs/dbraw/zinc/14/30/81/553143081.db2.gz SMNIVEPCQFXYGZ-ZIAGYGMSSA-N 1 0 391.339 2.510 20 0 GFADRO C[C@@H](NC(=O)CN1CC[N@@H+](C[C@H](C)O)C[C@H]1C)c1ccc(Cl)cc1Cl ZINC000249521909 553144399 /nfs/dbraw/zinc/14/43/99/553144399.db2.gz VWESDAMPWLLYTI-HZSPNIEDSA-N 1 0 388.339 2.558 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCN(c2cc(Cl)ccc2Cl)C1=O ZINC000249732775 553145664 /nfs/dbraw/zinc/14/56/64/553145664.db2.gz BMXQAEYOYWRCFX-UONOGXRCSA-N 1 0 384.307 2.947 20 0 GFADRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2S(=O)(=O)Cc2ccccc2C(F)(F)F)C1 ZINC000252657209 553150487 /nfs/dbraw/zinc/15/04/87/553150487.db2.gz MKWYVLNOTQZWFD-BBRMVZONSA-N 1 0 376.444 2.951 20 0 GFADRO O=C(CN1CC[NH+](CC/C=C\c2ccc(Br)cc2)CC1)NC1CC1 ZINC000255359753 553152159 /nfs/dbraw/zinc/15/21/59/553152159.db2.gz LDNLCHFSQYNKGJ-IWQZZHSRSA-N 1 0 392.341 2.749 20 0 GFADRO C[NH2+]CCC(=O)Nc1ccc(Br)c(I)c1 ZINC000261538423 553153314 /nfs/dbraw/zinc/15/33/14/553153314.db2.gz YAZXFQLXVBVGBD-UHFFFAOYSA-N 1 0 383.027 2.602 20 0 GFADRO COC(=O)C[C@@H](NC(=O)[C@@H]1CCC[C@@H]1C[NH3+])c1ccc(Br)cc1 ZINC000261616512 553154098 /nfs/dbraw/zinc/15/40/98/553154098.db2.gz AHKLXZFWDRQTKL-BPLDGKMQSA-N 1 0 383.286 2.545 20 0 GFADRO O=C(c1cc(Cl)ccc1I)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261627440 553154561 /nfs/dbraw/zinc/15/45/61/553154561.db2.gz VLGLSGVPUWISSL-NXEZZACHSA-N 1 0 390.652 2.626 20 0 GFADRO O=C(NC[C@H]1CCCN(Cc2ccc(Br)c(F)c2)C1)[C@H]1CCC[NH2+]1 ZINC000261647101 553155296 /nfs/dbraw/zinc/15/52/96/553155296.db2.gz JFEONVGHMKRNHH-RHSMWYFYSA-N 1 0 398.320 2.668 20 0 GFADRO CC(C)n1cc(Br)cc1C(=O)Nc1ccc(N2CC[NH2+]CC2)cn1 ZINC000261756833 553157784 /nfs/dbraw/zinc/15/77/84/553157784.db2.gz VKXXHEGSEDIARO-UHFFFAOYSA-N 1 0 392.301 2.888 20 0 GFADRO COc1cccc(CCNC(=O)[C@](C)([NH3+])c2ccc(Br)cc2)c1 ZINC000261754853 553157837 /nfs/dbraw/zinc/15/78/37/553157837.db2.gz NCJZMXDHIJIKKY-GOSISDBHSA-N 1 0 377.282 2.991 20 0 GFADRO Cc1ccc(C[NH+]2CCC(c3nnc4n3CCNC4)CC2)cc1Br ZINC000261786274 553159065 /nfs/dbraw/zinc/15/90/65/553159065.db2.gz QLSIIDAFJXTUAM-UHFFFAOYSA-N 1 0 390.329 2.832 20 0 GFADRO COC(=O)C[C@@H](NC(=O)[C@@H]1CCC[C@@H]1C[NH3+])c1cccc(Br)c1 ZINC000261795366 553159165 /nfs/dbraw/zinc/15/91/65/553159165.db2.gz QOFFHPSUDXNISB-BPLDGKMQSA-N 1 0 383.286 2.545 20 0 GFADRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)c1nn(-c2ccc(F)cc2)cc1Br ZINC000261818696 553160506 /nfs/dbraw/zinc/16/05/06/553160506.db2.gz NIGYFYMWVYJLSX-QWRGUYRKSA-N 1 0 381.249 2.583 20 0 GFADRO C[C@@]([NH3+])(C(=O)N1CCC[C@H](c2ncc[nH]2)C1)c1ccc(Br)cc1 ZINC000261843453 553161008 /nfs/dbraw/zinc/16/10/08/553161008.db2.gz VCUSZGSXGWJRCK-SJCJKPOMSA-N 1 0 377.286 2.752 20 0 GFADRO COc1ccc(I)c(NC(=O)[C@@H]2CC23CC[NH2+]CC3)c1 ZINC000261882221 553161507 /nfs/dbraw/zinc/16/15/07/553161507.db2.gz AKYOUFZWQMTNOY-NSHDSACASA-N 1 0 386.233 2.628 20 0 GFADRO Cc1cc(F)c(Br)cc1S(=O)(=O)N1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000261885887 553161892 /nfs/dbraw/zinc/16/18/92/553161892.db2.gz UVSDCZPWGSXUKV-GXFFZTMASA-N 1 0 379.295 2.787 20 0 GFADRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)[C@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 ZINC000261895899 553162134 /nfs/dbraw/zinc/16/21/34/553162134.db2.gz VYANGFYTVBFDLK-XHBSWPGZSA-N 1 0 384.307 2.794 20 0 GFADRO COc1ccc(OC)c(CNC(=O)[C@@](C)([NH3+])c2ccc(Br)cc2)c1 ZINC000261887421 553162254 /nfs/dbraw/zinc/16/22/54/553162254.db2.gz ZXCFDRMJDNSXSU-SFHVURJKSA-N 1 0 393.281 2.957 20 0 GFADRO O=C(c1ccc(I)c(F)c1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000261929582 553162705 /nfs/dbraw/zinc/16/27/05/553162705.db2.gz ZUFBMRJGCYRDGR-TXEJJXNPSA-N 1 0 388.224 2.502 20 0 GFADRO O=C(CCNC(=O)c1ccsc1)N1CC[NH2+]C[C@H]1c1cccc(Cl)c1 ZINC000261938656 553162725 /nfs/dbraw/zinc/16/27/25/553162725.db2.gz JECRTARQOPXGGF-INIZCTEOSA-N 1 0 377.897 2.695 20 0 GFADRO CN(Cc1ccccc1Br)C(=O)[C@]1([NH3+])[C@H]2CCCO[C@H]2C1(C)C ZINC000261919560 553162933 /nfs/dbraw/zinc/16/29/33/553162933.db2.gz RJELQKVXCYSMGN-JCKWVBRZSA-N 1 0 381.314 2.940 20 0 GFADRO O=C(CCSc1ccc(Cl)cc1)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000261940402 553163103 /nfs/dbraw/zinc/16/31/03/553163103.db2.gz JIJJNGFJJWZODP-CQSZACIVSA-N 1 0 395.878 2.775 20 0 GFADRO Cc1c(C(=O)N2C[C@H](C[NH3+])C[C@@H]2C)cnn1-c1cccc(Br)c1 ZINC000262012060 553164004 /nfs/dbraw/zinc/16/40/04/553164004.db2.gz QUSWNEDTSBBNHA-AAEUAGOBSA-N 1 0 377.286 2.753 20 0 GFADRO Cc1c(C(=O)N2C[C@@H](C[NH3+])C[C@H]2C)cnn1-c1cccc(Br)c1 ZINC000262012065 553164474 /nfs/dbraw/zinc/16/44/74/553164474.db2.gz QUSWNEDTSBBNHA-DGCLKSJQSA-N 1 0 377.286 2.753 20 0 GFADRO COc1ccc(CNC(=O)[C@@](C)([NH3+])c2ccc(Br)cc2)cc1OC ZINC000262019364 553164847 /nfs/dbraw/zinc/16/48/47/553164847.db2.gz YMLAFZRFIGZSOS-SFHVURJKSA-N 1 0 393.281 2.957 20 0 GFADRO C[NH2+]CC1CCN(S(=O)(=O)c2cccc(Br)c2Cl)CC1 ZINC000262081185 553165113 /nfs/dbraw/zinc/16/51/13/553165113.db2.gz QMQDVSPFPYYRAN-UHFFFAOYSA-N 1 0 381.723 2.723 20 0 GFADRO C[C@]1(C[NH3+])CCN(C(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)C1 ZINC000262113252 553165785 /nfs/dbraw/zinc/16/57/85/553165785.db2.gz VUPLKYXQCPJELY-MAUKXSAKSA-N 1 0 384.307 2.795 20 0 GFADRO C[C@]1(C[NH3+])CCN(C(=O)c2cc(I)ccc2Cl)C1 ZINC000262114989 553165922 /nfs/dbraw/zinc/16/59/22/553165922.db2.gz VWXPFEDAEKKSHV-CYBMUJFWSA-N 1 0 378.641 2.756 20 0 GFADRO C[C@H](Sc1cc(Cl)ccc1Cl)C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000262130631 553166313 /nfs/dbraw/zinc/16/63/13/553166313.db2.gz WTBNKIYFCDVKFX-JSGCOSHPSA-N 1 0 388.364 2.980 20 0 GFADRO [NH3+]CCCCNC(=O)c1ccc(NC(=O)c2ccc(Br)o2)cc1 ZINC000262172700 553166801 /nfs/dbraw/zinc/16/68/01/553166801.db2.gz DJZFHXOICRMBIK-UHFFFAOYSA-N 1 0 380.242 2.763 20 0 GFADRO COC(=O)C[C@H](NC(=O)[C@@H]1CCC[C@H]([NH3+])C1)c1ccc(Br)cc1 ZINC000262254511 553168087 /nfs/dbraw/zinc/16/80/87/553168087.db2.gz DXTCYGXLLNYFEV-SNPRPXQTSA-N 1 0 383.286 2.687 20 0 GFADRO Cc1cc(C(=O)Nc2nc(C3CC[NH2+]CC3)nn2C)ccc1Br ZINC000262332254 553169044 /nfs/dbraw/zinc/16/90/44/553169044.db2.gz FAUWNMZULASAQN-UHFFFAOYSA-N 1 0 378.274 2.605 20 0 GFADRO CN(C(=O)c1ccc(I)cc1Cl)C1CC[NH2+]CC1 ZINC000262478263 553171441 /nfs/dbraw/zinc/17/14/41/553171441.db2.gz QNZRMAWAJXKMQM-UHFFFAOYSA-N 1 0 378.641 2.769 20 0 GFADRO O=C(CCOc1ccc(Cl)cc1Br)NCC[C@H]1CC[NH2+]C1 ZINC000262582355 553172301 /nfs/dbraw/zinc/17/23/01/553172301.db2.gz MSVYIRLFKKQEPO-LLVKDONJSA-N 1 0 375.694 2.987 20 0 GFADRO C[NH2+][C@@H](C(=O)N(C)CC1(c2ccc(Br)cc2)CC1)c1cnn(C)c1 ZINC000262562863 553172323 /nfs/dbraw/zinc/17/23/23/553172323.db2.gz QZRSITANSKRHJW-MRXNPFEDSA-N 1 0 391.313 2.633 20 0 GFADRO CCc1c(C(=O)NCC[C@H]2CC[NH2+]C2)cnn1-c1ccc(Br)cc1 ZINC000262577162 553172373 /nfs/dbraw/zinc/17/23/73/553172373.db2.gz JZBVXUVYPDXCCR-CYBMUJFWSA-N 1 0 391.313 2.927 20 0 GFADRO C[NH2+][C@@H](C(=O)N1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1)c1cnn(C)c1 ZINC000262554152 553172405 /nfs/dbraw/zinc/17/24/05/553172405.db2.gz PEURQKHHPUUGBO-XJKSGUPXSA-N 1 0 383.279 2.667 20 0 GFADRO O=C(c1cc(=O)[nH]c2c(Br)cccc12)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262658560 553173566 /nfs/dbraw/zinc/17/35/66/553173566.db2.gz XYXDKAPYYNBVSK-MNOVXSKESA-N 1 0 376.254 2.669 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000262767496 553175159 /nfs/dbraw/zinc/17/51/59/553175159.db2.gz SPYPHFVUEQOXBE-RCBQFDQVSA-N 1 0 394.313 2.530 20 0 GFADRO [NH3+]C[C@H]1CCCC[C@H]1NS(=O)(=O)c1cccc(Cl)c1Br ZINC000262753989 553175203 /nfs/dbraw/zinc/17/52/03/553175203.db2.gz HFCKDSLESOMURG-MWLCHTKSSA-N 1 0 381.723 2.898 20 0 GFADRO C[C@@H]1C[NH2+]CC[C@@H]1NS(=O)(=O)c1ccc2cc(Br)ccc2c1 ZINC000262786206 553175628 /nfs/dbraw/zinc/17/56/28/553175628.db2.gz QIVJEIWJIFTTFF-BZNIZROVSA-N 1 0 383.311 2.879 20 0 GFADRO Cc1c(C(=O)N2CC[NH2+][C@@H](C)[C@@H]2C)cnn1-c1cccc(Br)c1 ZINC000262804207 553176127 /nfs/dbraw/zinc/17/61/27/553176127.db2.gz PQBPBDBOXGUMJD-RYUDHWBXSA-N 1 0 377.286 2.766 20 0 GFADRO C[C@@H]1C[C@@H](NS(=O)(=O)c2c(Cl)cc(F)cc2Br)CC[NH2+]1 ZINC000262799225 553176221 /nfs/dbraw/zinc/17/62/21/553176221.db2.gz QJGCTCGJXOQHKN-APPZFPTMSA-N 1 0 385.686 2.660 20 0 GFADRO C[C@@H]1C[C@@H](NS(=O)(=O)c2cc(Cl)c(Br)cc2F)CC[NH2+]1 ZINC000262811752 553176426 /nfs/dbraw/zinc/17/64/26/553176426.db2.gz YGMGPCMWWFMGHM-SFYZADRCSA-N 1 0 385.686 2.660 20 0 GFADRO C[C@H]([NH3+])C1CCN(S(=O)(=O)c2ccc(Cl)cc2Br)CC1 ZINC000262800839 553176490 /nfs/dbraw/zinc/17/64/90/553176490.db2.gz VJARHABMSYKGSM-VIFPVBQESA-N 1 0 381.723 2.850 20 0 GFADRO C[C@H]1C[C@H](NC(=O)c2ccc(I)cc2Cl)CC[NH2+]1 ZINC000262839272 553176927 /nfs/dbraw/zinc/17/69/27/553176927.db2.gz IROHIDAMLLEQJO-WCBMZHEXSA-N 1 0 378.641 2.815 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)[C@@H]1CCCC[C@@]1(C)[NH3+] ZINC000262907624 553178432 /nfs/dbraw/zinc/17/84/32/553178432.db2.gz FGBFWVXAWJLCHE-SUMWQHHRSA-N 1 0 382.302 2.720 20 0 GFADRO C[C@@H](CNC(=O)c1csc(-c2cccc(Cl)c2)n1)N1CC[NH+](C)CC1 ZINC000263813209 553193955 /nfs/dbraw/zinc/19/39/55/553193955.db2.gz XGUQANGZZGDULM-ZDUSSCGKSA-N 1 0 378.929 2.829 20 0 GFADRO CC(=O)NC1CCC([NH2+]Cc2ccc(F)cc2I)CC1 ZINC000417880420 563890340 /nfs/dbraw/zinc/89/03/40/563890340.db2.gz CFNMSLPGOBKXTR-UHFFFAOYSA-N 1 0 390.240 2.967 20 0 GFADRO C[C@H](CCO)CC[NH2+][C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000453231639 564450010 /nfs/dbraw/zinc/45/00/10/564450010.db2.gz IQBXMSVCFRCXOR-SMDDNHRTSA-N 1 0 376.316 2.666 20 0 GFADRO O=S(=O)(Cc1ccc(Cl)cc1Br)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000515844042 564488721 /nfs/dbraw/zinc/48/87/21/564488721.db2.gz KWKUKCJMLBBEKL-QMTHXVAHSA-N 1 0 393.734 2.616 20 0 GFADRO CC[C@H](C)[C@H]([NH3+])C(=O)NCc1cc(Cl)ccc1I ZINC000595938775 565499664 /nfs/dbraw/zinc/49/96/64/565499664.db2.gz SHLALDKIPALYTE-UFBFGSQYSA-N 1 0 380.657 2.934 20 0 GFADRO C[C@H]1CC2(CN1S(=O)(=O)c1ccc(F)c(Br)c1)CC[NH2+]CC2 ZINC000424393100 563377698 /nfs/dbraw/zinc/37/76/98/563377698.db2.gz QWCIQSDDTOSADX-NSHDSACASA-N 1 0 391.306 2.741 20 0 GFADRO C[C@@H](CNC(=O)c1cc(Cl)ccc1I)C[NH+](C)C ZINC000310857807 563434656 /nfs/dbraw/zinc/43/46/56/563434656.db2.gz NGUHULGJLJDTGX-VIFPVBQESA-N 1 0 380.657 2.872 20 0 GFADRO COCCOC1(C[NH2+]Cc2cccc(F)c2Br)CCOCC1 ZINC000294689979 563213082 /nfs/dbraw/zinc/21/30/82/563213082.db2.gz CERBIGIAJDCWDV-UHFFFAOYSA-N 1 0 376.266 2.890 20 0 GFADRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)NCCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000418229642 563213932 /nfs/dbraw/zinc/21/39/32/563213932.db2.gz HRKADJDTAWDMKO-INIZCTEOSA-N 1 0 389.949 2.519 20 0 GFADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)c1cc(Cl)c(F)cc1Br ZINC000294735203 563214465 /nfs/dbraw/zinc/21/44/65/563214465.db2.gz WBXMNTWHIYVGAP-SNVBAGLBSA-N 1 0 392.700 2.607 20 0 GFADRO Cc1cc(N2CC[C@@H]([NH2+][C@@H]3CCc4sc(Br)cc43)C2=O)n(C)n1 ZINC000294723053 563214514 /nfs/dbraw/zinc/21/45/14/563214514.db2.gz KEIKYFGRAWGNHX-VXGBXAGGSA-N 1 0 395.326 2.935 20 0 GFADRO O=C(NCc1nc2c(cccc2Br)[nH]1)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000418270836 563215029 /nfs/dbraw/zinc/21/50/29/563215029.db2.gz SIOWJGMGMOAWPL-SDDRHHMPSA-N 1 0 392.301 2.513 20 0 GFADRO Cc1cc(CNC(=O)N2C[C@@H](C[NH3+])C3(C2)CCOCC3)ccc1Br ZINC000418278244 563215672 /nfs/dbraw/zinc/21/56/72/563215672.db2.gz IUAVTFXUWVYASS-OAHLLOKOSA-N 1 0 396.329 2.654 20 0 GFADRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)NCc1nc2c(cccc2Br)[nH]1 ZINC000418275180 563215686 /nfs/dbraw/zinc/21/56/86/563215686.db2.gz YSTBLGKPSMYAAE-JQWIXIFHSA-N 1 0 380.290 2.642 20 0 GFADRO O=C(NCCC[NH2+]C1CC1)N1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000418300109 563215797 /nfs/dbraw/zinc/21/57/97/563215797.db2.gz MKQAMHCVVSMUPS-INIZCTEOSA-N 1 0 382.302 2.674 20 0 GFADRO COCCN(Cc1cc(Br)cs1)C(=O)NCCC[NH2+]C1CC1 ZINC000418297978 563215837 /nfs/dbraw/zinc/21/58/37/563215837.db2.gz IOKMISQGWRZSCP-UHFFFAOYSA-N 1 0 390.347 2.811 20 0 GFADRO COc1cccc(CS(=O)(=O)NC[C@H]2CC[N@H+](C)[C@H]2c2cccs2)c1 ZINC000369541369 563216356 /nfs/dbraw/zinc/21/63/56/563216356.db2.gz UFUNTEQXGZTXAR-CRAIPNDOSA-N 1 0 380.535 2.869 20 0 GFADRO [NH3+]C[C@@H](NC(=O)N1CCC(n2cc(Br)cn2)CC1)C1CCCCC1 ZINC000418382822 563216354 /nfs/dbraw/zinc/21/63/54/563216354.db2.gz NEGPHFGQFLCODR-MRXNPFEDSA-N 1 0 398.349 2.900 20 0 GFADRO [NH3+]C1CCC(NC(=O)N2CCN(Cc3ccc(Br)cc3)CC2)CC1 ZINC000418388397 563216495 /nfs/dbraw/zinc/21/64/95/563216495.db2.gz QABBMEHHORRJRH-UHFFFAOYSA-N 1 0 395.345 2.546 20 0 GFADRO O=C(N[C@H]1CC[NH2+]C1)N1CCN(c2ccc(C(F)(F)F)cc2Cl)CC1 ZINC000418394061 563216890 /nfs/dbraw/zinc/21/68/90/563216890.db2.gz XJDUAHJUDVWQDE-LBPRGKRZSA-N 1 0 376.810 2.552 20 0 GFADRO COCCOC1(C[NH2+]Cc2c(F)cccc2Br)CCOCC1 ZINC000294780633 563217035 /nfs/dbraw/zinc/21/70/35/563217035.db2.gz LBKVHKGCZFDKLD-UHFFFAOYSA-N 1 0 376.266 2.890 20 0 GFADRO Oc1ccc(Br)c(C[NH2+]C[C@@H]2C[C@H](F)CN2c2cccnn2)c1 ZINC000369548596 563217217 /nfs/dbraw/zinc/21/72/17/563217217.db2.gz VZNJKAPKUVWGDC-STQMWFEESA-N 1 0 381.249 2.651 20 0 GFADRO CC(C)([NH3+])CNC(=O)N1CCC(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000418410835 563217401 /nfs/dbraw/zinc/21/74/01/563217401.db2.gz CZVWEJYKXVREHL-UHFFFAOYSA-N 1 0 397.317 2.547 20 0 GFADRO O=C(c1ccn([C@H]2CCC[NH2+]C2)n1)N1CCO[C@@H](c2ccc(Cl)s2)C1 ZINC000369580216 563218365 /nfs/dbraw/zinc/21/83/65/563218365.db2.gz YBVYUIIJZSLAOY-GXTWGEPZSA-N 1 0 380.901 2.736 20 0 GFADRO [NH3+][C@H](CNC(=O)N1CCO[C@@H](c2cc(F)c(Cl)cc2Cl)C1)C1CC1 ZINC000418497231 563218741 /nfs/dbraw/zinc/21/87/41/563218741.db2.gz JTKAQGYLJSQXQG-HUUCEWRRSA-N 1 0 376.259 2.953 20 0 GFADRO COc1ccc(Br)c(CN(C)C(=O)NCC2(C)CC[NH2+]CC2)c1 ZINC000418519077 563219572 /nfs/dbraw/zinc/21/95/72/563219572.db2.gz NSMUAZMOCAMWHT-UHFFFAOYSA-N 1 0 384.318 2.989 20 0 GFADRO COCCN(Cc1ccc(Br)s1)C(=O)NCC1([NH3+])CCC1 ZINC000418531495 563219653 /nfs/dbraw/zinc/21/96/53/563219653.db2.gz XLJJONWVBIDRJO-UHFFFAOYSA-N 1 0 376.320 2.550 20 0 GFADRO C[C@H]1CN(Cc2ccccc2)CCN1C(=O)c1nn(C)cc1Br ZINC000294890557 563220270 /nfs/dbraw/zinc/22/02/70/563220270.db2.gz DYPZZLBBGZIKKH-ZDUSSCGKSA-N 1 0 377.286 2.529 20 0 GFADRO O=C(NC[C@H](O)c1ccc(Cl)cc1Cl)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000369658341 563220448 /nfs/dbraw/zinc/22/04/48/563220448.db2.gz WKTVJVZMIXCYRJ-WBMJQRKESA-N 1 0 383.279 2.578 20 0 GFADRO CC[NH2+][C@H](C)CNC(=O)N1CCO[C@H](c2ccc(F)c(Br)c2)C1 ZINC000418595801 563220612 /nfs/dbraw/zinc/22/06/12/563220612.db2.gz XCTNGCWSEIESOL-ABAIWWIYSA-N 1 0 388.281 2.669 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)NC(C)(C)COc2ncc(Cl)cc2Cl)CC[NH2+]1 ZINC000418591632 563220826 /nfs/dbraw/zinc/22/08/26/563220826.db2.gz CQBHPPJYCZEDKV-PWSUYJOCSA-N 1 0 375.300 2.986 20 0 GFADRO CO[C@H](C[NH3+])CC(=O)N1CCCC[C@H]1C(=O)Nc1cc(Cl)ccc1Cl ZINC000369663400 563221035 /nfs/dbraw/zinc/22/10/35/563221035.db2.gz LFBJDDLIDUGACS-WFASDCNBSA-N 1 0 388.295 2.677 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)N2CCO[C@@H](c3cccc(Br)c3)C2)CC[NH2+]1 ZINC000418609692 563221338 /nfs/dbraw/zinc/22/13/38/563221338.db2.gz SOAYQLYQVFTXMJ-UHOFOFEASA-N 1 0 382.302 2.673 20 0 GFADRO CC1(C)CCC[NH2+][C@@H]1CNC(=O)N[C@@H](CCO)c1ccccc1Br ZINC000418631498 563221683 /nfs/dbraw/zinc/22/16/83/563221683.db2.gz BDDXDDVMJPHSCJ-JKSUJKDBSA-N 1 0 398.345 2.950 20 0 GFADRO C[C@@H](NC(=O)N1CCN([C@@H](C)c2ccc(Br)cc2)CC1)[C@H](C)[NH3+] ZINC000418687997 563222193 /nfs/dbraw/zinc/22/21/93/563222193.db2.gz ANSAJDACPBCXQP-MJBXVCDLSA-N 1 0 383.334 2.573 20 0 GFADRO Cc1c(Br)cc(C(=O)N2CC[NH+](C3CCCCC3)CC2)c(=O)n1C ZINC000277707077 563222152 /nfs/dbraw/zinc/22/21/52/563222152.db2.gz GWKXKVVDOXXYKF-UHFFFAOYSA-N 1 0 396.329 2.547 20 0 GFADRO C[C@@H](CCCC[NH3+])NC(=O)N1CCN(c2cccc(Br)c2)CC1 ZINC000418664479 563222277 /nfs/dbraw/zinc/22/22/77/563222277.db2.gz AXKICTLNJVHPSG-AWEZNQCLSA-N 1 0 383.334 2.798 20 0 GFADRO C[C@@H](CCCC[NH3+])NC(=O)N1CCN(Cc2ccc(Br)cc2)CC1 ZINC000418672018 563222284 /nfs/dbraw/zinc/22/22/84/563222284.db2.gz LTJMBLOAHYTLBN-HNNXBMFYSA-N 1 0 397.361 2.794 20 0 GFADRO CC[C@@H]([NH3+])CNC(=O)N1CCC[C@H]1c1ccc(I)cc1 ZINC000418712125 563222805 /nfs/dbraw/zinc/22/28/05/563222805.db2.gz WWVNQJKMEQXEGL-KGLIPLIRSA-N 1 0 387.265 2.875 20 0 GFADRO CC[C@@H]([NH3+])CNC(=O)N1CCN([C@@H](C)c2ccc(Br)cc2)CC1 ZINC000418715005 563223005 /nfs/dbraw/zinc/22/30/05/563223005.db2.gz QPXSVSYUTKTGSN-XJKSGUPXSA-N 1 0 383.334 2.575 20 0 GFADRO CCC(O)(CC)C[NH2+]Cc1cc(Br)ccc1O[C@H](C)C(=O)NC ZINC000294968976 563223824 /nfs/dbraw/zinc/22/38/24/563223824.db2.gz GGNOSOJOXAKOPJ-GFCCVEGCSA-N 1 0 387.318 2.603 20 0 GFADRO COc1cc(Br)c(C(=O)N2CC[C@H]3CC[N@H+](C)C[C@@H]32)cc1OC ZINC000294974248 563224009 /nfs/dbraw/zinc/22/40/09/563224009.db2.gz LGKQBIHHMGKQAF-RISCZKNCSA-N 1 0 383.286 2.633 20 0 GFADRO CC(C)[C@@](C)(NC(=O)NC[C@H]1C[NH2+]CCO1)c1ccc(Br)cc1 ZINC000418755160 563224309 /nfs/dbraw/zinc/22/43/09/563224309.db2.gz BQLFUTZIPZWRBX-NVXWUHKLSA-N 1 0 384.318 2.608 20 0 GFADRO [NH3+]C1(CNC(=O)C(=O)N[C@H](c2cccs2)c2ccc(Cl)cc2)CCC1 ZINC000418758475 563224459 /nfs/dbraw/zinc/22/44/59/563224459.db2.gz GTORIJPXWSEAOQ-HNNXBMFYSA-N 1 0 377.897 2.605 20 0 GFADRO Cc1cc([C@@H]2CCCN2C(=O)NC[C@@H]2C[NH2+]CCN2C)ccc1Br ZINC000418765906 563225251 /nfs/dbraw/zinc/22/52/51/563225251.db2.gz PIEVJVYUVJPULA-RDJZCZTQSA-N 1 0 395.345 2.508 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000418821094 563226595 /nfs/dbraw/zinc/22/65/95/563226595.db2.gz UUHLBNATBDEREL-CEFQPYBMSA-N 1 0 384.307 2.694 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2C[C@H]2c2ccc(Cl)cc2Cl)C1 ZINC000418816387 563226680 /nfs/dbraw/zinc/22/66/80/563226680.db2.gz KZVQTVAEVUJJTI-FJXFWJLJSA-N 1 0 384.307 2.551 20 0 GFADRO C[C@H](NC(=O)C(=O)NC[C@@]1(C)CCC[NH2+]C1)c1cc(F)c(Cl)cc1Cl ZINC000418826239 563226775 /nfs/dbraw/zinc/22/67/75/563226775.db2.gz AYDHWDHUAILGRO-BTDLBPIBSA-N 1 0 390.286 2.816 20 0 GFADRO C[C@H](NC(=O)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1)c1cc(F)c(Cl)cc1Cl ZINC000418847931 563227110 /nfs/dbraw/zinc/22/71/10/563227110.db2.gz KFFWRYBRBUMBII-AEJSXWLSSA-N 1 0 376.259 2.696 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N[C@H]2C[C@H](c3ccc(Cl)c(Cl)c3)C2)C1 ZINC000418897327 563229359 /nfs/dbraw/zinc/22/93/59/563229359.db2.gz XALNLXOTNGMRJF-GHYVTOPFSA-N 1 0 384.307 2.551 20 0 GFADRO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@H]1CCCN(CCCO)C1 ZINC000295127908 563230187 /nfs/dbraw/zinc/23/01/87/563230187.db2.gz OEAZZIAYCNTZNY-PBHICJAKSA-N 1 0 398.345 2.603 20 0 GFADRO Cn1cc([C@H](NC(=O)NC[C@H](c2cccs2)[NH+](C)C)C(F)(F)F)cn1 ZINC000277878827 563230208 /nfs/dbraw/zinc/23/02/08/563230208.db2.gz BIKDASFOCMBLNL-YPMHNXCESA-N 1 0 375.420 2.687 20 0 GFADRO OCCCN1CCC[C@@H]([NH2+]Cc2ccc(Br)c3cccnc23)C1 ZINC000295141988 563230631 /nfs/dbraw/zinc/23/06/31/563230631.db2.gz PYSBYDUWFYFXFQ-OAHLLOKOSA-N 1 0 378.314 2.934 20 0 GFADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[N@@H+]1CC[C@](C)(COC)C1 ZINC000295141938 563230638 /nfs/dbraw/zinc/23/06/38/563230638.db2.gz PYBMEIOLIDVPKF-ACJLOTCBSA-N 1 0 399.329 2.821 20 0 GFADRO OC[C@H](C[NH+]1CCCCC1)Nc1nc(C(F)(F)F)c(Br)s1 ZINC000418962097 563231686 /nfs/dbraw/zinc/23/16/86/563231686.db2.gz KSMRDZIHITVYOH-QMMMGPOBSA-N 1 0 388.253 3.183 20 0 GFADRO OCCC[N@@H+]1CCC[C@H]1CNc1nc(C(F)(F)F)c(Br)s1 ZINC000418959278 563231777 /nfs/dbraw/zinc/23/17/77/563231777.db2.gz ZCBHCBMFNIJYIA-QMMMGPOBSA-N 1 0 388.253 3.183 20 0 GFADRO O=C1NC2(CCSCC2)C(=O)N1C[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000277914251 563232035 /nfs/dbraw/zinc/23/20/35/563232035.db2.gz QALLQNRNJAATQV-AWEZNQCLSA-N 1 0 379.551 2.778 20 0 GFADRO C[C@@H](NC(=O)C(=O)NCCCc1ccc(Cl)cc1Cl)[C@H]1CCC[NH2+]C1 ZINC000419043241 563232448 /nfs/dbraw/zinc/23/24/48/563232448.db2.gz QXTOYSKFMYFBKR-OCCSQVGLSA-N 1 0 386.323 2.547 20 0 GFADRO C[C@]1(CNC(=O)C(=O)N[C@H]2CCc3c2ccc(Cl)c3Cl)CCC[NH2+]C1 ZINC000419105627 563233709 /nfs/dbraw/zinc/23/37/09/563233709.db2.gz UVZCOMOPDQBCGA-KSSFIOAISA-N 1 0 384.307 2.603 20 0 GFADRO [NH3+][C@H]1CCCN(C(=O)C(=O)N[C@@H](c2ccsc2)c2ccc(Cl)cc2)C1 ZINC000419123590 563234056 /nfs/dbraw/zinc/23/40/56/563234056.db2.gz HFDDBSGFNXRFDX-JKSUJKDBSA-N 1 0 377.897 2.557 20 0 GFADRO C[NH+](C)CCN(Cc1ccccc1)C(=O)Cc1cc[nH]c(=O)c1Br ZINC000277955446 563234357 /nfs/dbraw/zinc/23/43/57/563234357.db2.gz HJQFIRXLCQPDSL-UHFFFAOYSA-N 1 0 392.297 2.683 20 0 GFADRO Cc1ccc(Br)cc1CNC(=O)C(=O)NCC1([NH3+])CCCCCC1 ZINC000419164742 563234657 /nfs/dbraw/zinc/23/46/57/563234657.db2.gz MKRKHVONFYDLEK-UHFFFAOYSA-N 1 0 396.329 2.542 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CCSc3ccc(Cl)cc32)C1 ZINC000419222073 563235550 /nfs/dbraw/zinc/23/55/50/563235550.db2.gz WJHIYTRZJVPZHB-YWPYICTPSA-N 1 0 381.929 2.579 20 0 GFADRO C[C@H](NC(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1cccc(Cl)c1Cl ZINC000419237363 563235590 /nfs/dbraw/zinc/23/55/90/563235590.db2.gz CATMWDPCGZCGNF-WUHRBBMRSA-N 1 0 384.307 2.675 20 0 GFADRO COCCC[N@@H+]1CCCN(Cc2nnc(-c3ccc(Br)o3)o2)CC1 ZINC000370168657 563235798 /nfs/dbraw/zinc/23/57/98/563235798.db2.gz GWBRVYNXCKXXMO-UHFFFAOYSA-N 1 0 399.289 2.636 20 0 GFADRO COc1cc(C(F)(F)F)cc(S(=O)(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000295224324 563237064 /nfs/dbraw/zinc/23/70/64/563237064.db2.gz NOKLHMUCEZHIJO-AAEUAGOBSA-N 1 0 380.432 2.817 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)c1ccoc1Br ZINC000278075416 563238860 /nfs/dbraw/zinc/23/88/60/563238860.db2.gz OMGQMRZKKLHMCT-GOEBONIOSA-N 1 0 393.281 2.655 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)c1ccoc1Br ZINC000278075407 563238874 /nfs/dbraw/zinc/23/88/74/563238874.db2.gz OMGQMRZKKLHMCT-GDBMZVCRSA-N 1 0 393.281 2.655 20 0 GFADRO C[C@H](CNS(=O)(=O)C[C@H]1CCCC1(F)F)N1CCc2sccc2C1 ZINC000295259947 563239240 /nfs/dbraw/zinc/23/92/40/563239240.db2.gz XZJQZKNJAUVPOX-TZMCWYRMSA-N 1 0 378.510 2.850 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)C(=O)NCC(C)(C)c2ccc(Cl)c(Cl)c2)CC[NH2+]1 ZINC000419365414 563239511 /nfs/dbraw/zinc/23/95/11/563239511.db2.gz UCCDEFZUSQEMKR-YPMHNXCESA-N 1 0 386.323 2.644 20 0 GFADRO C[C@@H](Oc1ccc(F)cc1Br)C(=O)N[C@@H]1CCc2[nH]cnc2C1 ZINC000370340891 563239983 /nfs/dbraw/zinc/23/99/83/563239983.db2.gz MNGDUBKAPDIXPG-MWLCHTKSSA-N 1 0 382.233 2.752 20 0 GFADRO C[NH2+]C[C@H]1CCCN(C(=O)C(=O)NC[C@@H](C)c2c(Cl)cccc2Cl)C1 ZINC000419521976 563240941 /nfs/dbraw/zinc/24/09/41/563240941.db2.gz SUFOANGGCSIMTE-CHWSQXEVSA-N 1 0 386.323 2.671 20 0 GFADRO Cc1nc2ccc(Br)cn2c1C(=O)N1CC[N@@H+](C2CC2)C[C@@H](C)C1 ZINC000295305337 563240980 /nfs/dbraw/zinc/24/09/80/563240980.db2.gz JSZIQDDHARGDRO-GFCCVEGCSA-N 1 0 391.313 2.962 20 0 GFADRO C[C@@H](CNC(=O)C(=O)NC[C@@]1(C)CCC[NH2+]C1)c1c(Cl)cccc1Cl ZINC000419510464 563241332 /nfs/dbraw/zinc/24/13/32/563241332.db2.gz BIUXKEOBMZPTDO-SGTLLEGYSA-N 1 0 386.323 2.719 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]C[C@@H]1CCO[C@@H](C)C1 ZINC000295400001 563245116 /nfs/dbraw/zinc/24/51/16/563245116.db2.gz MBKNDWKOTNPHFR-MELADBBJSA-N 1 0 399.329 2.867 20 0 GFADRO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NCC(C)(C)c1c(Cl)cccc1Cl ZINC000419699636 563246617 /nfs/dbraw/zinc/24/66/17/563246617.db2.gz WTPPGHHUEBXMSG-LBPRGKRZSA-N 1 0 386.323 2.598 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)NCC(C)(C)c2c(Cl)cccc2Cl)C1 ZINC000419698153 563246720 /nfs/dbraw/zinc/24/67/20/563246720.db2.gz SCAYFJGUQAXYIU-RYUDHWBXSA-N 1 0 386.323 2.583 20 0 GFADRO Cc1c2cc(Cl)ccc2sc1CNC(=O)C(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000419698897 563246782 /nfs/dbraw/zinc/24/67/82/563246782.db2.gz ASRYOCYOUQYGDK-YGRLFVJLSA-N 1 0 379.913 2.594 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)C(=O)NCC(C)(C)c2c(Cl)cccc2Cl)CC[NH2+]1 ZINC000419699598 563246798 /nfs/dbraw/zinc/24/67/98/563246798.db2.gz WPPDAVLWYZZQLM-VXGBXAGGSA-N 1 0 386.323 2.644 20 0 GFADRO Cc1c2cc(Cl)ccc2sc1CNC(=O)C(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000419704650 563246935 /nfs/dbraw/zinc/24/69/35/563246935.db2.gz HVXMFCCFPOJXMU-YGRLFVJLSA-N 1 0 379.913 2.594 20 0 GFADRO Cc1c(CNC(=O)C(=O)N2C[C@@H](C[NH3+])C[C@H]2C)sc2ccc(Cl)cc12 ZINC000419708979 563247236 /nfs/dbraw/zinc/24/72/36/563247236.db2.gz MNAOACKBBOHOJN-ZYHUDNBSSA-N 1 0 379.913 2.675 20 0 GFADRO O=C(N[C@H]1CCC[N@@H+](CCCO)C1)c1cc(Cl)c(F)cc1Br ZINC000295472595 563249498 /nfs/dbraw/zinc/24/94/98/563249498.db2.gz NMDQDNKKMUJPHR-JTQLQIEISA-N 1 0 393.684 2.818 20 0 GFADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)COc1ccccc1Br ZINC000278319725 563250046 /nfs/dbraw/zinc/25/00/46/563250046.db2.gz ACDZNGWGZHCVCC-AWEZNQCLSA-N 1 0 397.313 2.540 20 0 GFADRO CCC[C@H](O)[C@H](CO)[NH2+]Cc1cc(Br)cc(Br)c1 ZINC000419807261 563251026 /nfs/dbraw/zinc/25/10/26/563251026.db2.gz FOOPTJQCXNTHDJ-STQMWFEESA-N 1 0 381.108 2.823 20 0 GFADRO CC[NH+]1CCN(Cc2ccc(NCc3c(Br)cnn3C)cc2)CC1 ZINC000278375976 563252225 /nfs/dbraw/zinc/25/22/25/563252225.db2.gz KZDXBSOQKDPIIZ-UHFFFAOYSA-N 1 0 392.345 2.932 20 0 GFADRO O=C(Cc1ccc(Br)cc1)NC[C@H]1CCC[C@H]1[NH+]1CCOCC1 ZINC000370757743 563253980 /nfs/dbraw/zinc/25/39/80/563253980.db2.gz IMNCKHDGTZBBSO-NVXWUHKLSA-N 1 0 381.314 2.609 20 0 GFADRO C[C@H]1C[N@H+](CCCNC(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)CCCO1 ZINC000278441073 563255959 /nfs/dbraw/zinc/25/59/59/563255959.db2.gz SUEJAHDVUYIYGO-LBPRGKRZSA-N 1 0 388.295 2.549 20 0 GFADRO CN(C(=O)c1ccc(F)cc1Br)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000370832866 563257149 /nfs/dbraw/zinc/25/71/49/563257149.db2.gz ZNAZIVKPBOPCOT-OAHLLOKOSA-N 1 0 398.320 2.829 20 0 GFADRO CN(C(=O)c1ccc(Br)cc1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000370831082 563257638 /nfs/dbraw/zinc/25/76/38/563257638.db2.gz RWNMARSHWWRXCW-QGZVFWFLSA-N 1 0 380.330 2.690 20 0 GFADRO Cc1cc(Br)ccc1C(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000370830535 563257718 /nfs/dbraw/zinc/25/77/18/563257718.db2.gz NQFPSCZKKRSMOL-QGZVFWFLSA-N 1 0 394.357 2.998 20 0 GFADRO CC(C)NS(=O)(=O)[C@@H]1CCN(Cc2ccc(OCC(F)(F)F)cc2)C1 ZINC000370856414 563258231 /nfs/dbraw/zinc/25/82/31/563258231.db2.gz NTXPPMMWVPXFPL-OAHLLOKOSA-N 1 0 380.432 2.530 20 0 GFADRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)N(Cc1ccc(Cl)c(Cl)c1)C1CC1 ZINC000420117252 563258816 /nfs/dbraw/zinc/25/88/16/563258816.db2.gz HSOHQEHDTOELLP-ZBEGNZNMSA-N 1 0 384.307 2.599 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)CC[NH2+]1 ZINC000420140907 563258850 /nfs/dbraw/zinc/25/88/50/563258850.db2.gz ZAKFHCKPRDSCKB-PVXIVEMSSA-N 1 0 384.307 2.914 20 0 GFADRO CC(C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000420183695 563259804 /nfs/dbraw/zinc/25/98/04/563259804.db2.gz AATSOCLDKABYIJ-GXTWGEPZSA-N 1 0 386.323 2.974 20 0 GFADRO Cn1cc([C@H]2[C@@H](CNC(=O)c3ccc(Br)o3)CCC[N@@H+]2C)cn1 ZINC000370922787 563259871 /nfs/dbraw/zinc/25/98/71/563259871.db2.gz LXUQVKXBEBHMBW-IAQYHMDHSA-N 1 0 381.274 2.589 20 0 GFADRO Cn1cc([C@@H]2[C@H](CNC(=O)c3ccc(Cl)nc3Cl)CCC[N@@H+]2C)cn1 ZINC000370911660 563259936 /nfs/dbraw/zinc/25/99/36/563259936.db2.gz NZHPIJRZYQHWQK-NHYWBVRUSA-N 1 0 382.295 2.935 20 0 GFADRO C[C@@H](c1ccncc1)[NH+]1CCC(NCc2c(Br)cnn2C)CC1 ZINC000278524222 563260274 /nfs/dbraw/zinc/26/02/74/563260274.db2.gz QQAZEERZTNENRK-ZDUSSCGKSA-N 1 0 378.318 2.893 20 0 GFADRO Cn1cc([C@H]2[C@@H](CNC(=O)c3ccccc3Br)CCC[N@@H+]2C)cn1 ZINC000370928852 563260751 /nfs/dbraw/zinc/26/07/51/563260751.db2.gz QKYAOUBZMLMRAX-CXAGYDPISA-N 1 0 391.313 2.996 20 0 GFADRO C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420408943 563262606 /nfs/dbraw/zinc/26/26/06/563262606.db2.gz QDMCCJQEQJEFDZ-YCPHGPKFSA-N 1 0 382.346 2.713 20 0 GFADRO CN(C[C@H](O)C[NH3+])[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)c1ccccc1 ZINC000420354608 563262937 /nfs/dbraw/zinc/26/29/37/563262937.db2.gz OXGKFQVBGKDUOX-SJORKVTESA-N 1 0 382.291 2.925 20 0 GFADRO C[C@@H](CNC(=O)c1cc(Cl)cc(Br)c1F)N1CC[NH+](C)CC1 ZINC000278621848 563263600 /nfs/dbraw/zinc/26/36/00/563263600.db2.gz PCHZQABCJWJVTC-JTQLQIEISA-N 1 0 392.700 2.607 20 0 GFADRO CN(C1CC[NH+](C2CCOCC2)CC1)S(=O)(=O)c1cc(F)cc(Cl)c1 ZINC000371052152 563263619 /nfs/dbraw/zinc/26/36/19/563263619.db2.gz CZMRWPMTCCFVPA-UHFFFAOYSA-N 1 0 390.908 2.743 20 0 GFADRO O=S(=O)(c1ccc(Br)cc1F)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420462990 563264384 /nfs/dbraw/zinc/26/43/84/563264384.db2.gz NMQKEMYCPSCLHQ-FZMZJTMJSA-N 1 0 391.306 2.741 20 0 GFADRO CCOc1ccc(S(=O)(=O)N[C@@H]2CC[NH2+]CC2(C)C)cc1Br ZINC000420465454 563264523 /nfs/dbraw/zinc/26/45/23/563264523.db2.gz QFZXDZCKFZKSFL-CQSZACIVSA-N 1 0 391.331 2.514 20 0 GFADRO O=S(=O)(c1cc(F)ccc1Br)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420470263 563264955 /nfs/dbraw/zinc/26/49/55/563264955.db2.gz WOPBSYJTZIBHAI-FZMZJTMJSA-N 1 0 391.306 2.741 20 0 GFADRO COC(=O)c1sc(S(=O)(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c(C)c1Cl ZINC000278668813 563265613 /nfs/dbraw/zinc/26/56/13/563265613.db2.gz FRUCLMQUNRUIHS-ONGXEEELSA-N 1 0 394.946 2.600 20 0 GFADRO C[C@H]1CCN(S(=O)(=O)c2cc(Br)ccc2Cl)C[C@H]1C[NH3+] ZINC000420480795 563265830 /nfs/dbraw/zinc/26/58/30/563265830.db2.gz PMMUWWHETCGEFV-VHSXEESVSA-N 1 0 381.723 2.708 20 0 GFADRO [NH3+][C@@H]1CN(S(=O)(=O)c2c(Cl)ccc(F)c2F)C[C@H]1c1ccccc1F ZINC000420474819 563265914 /nfs/dbraw/zinc/26/59/14/563265914.db2.gz YXIXKICXJLKEQS-IINYFYTJSA-N 1 0 390.814 2.873 20 0 GFADRO C[C@H]1CCN(S(=O)(=O)c2cc(Br)sc2Cl)C[C@H]1C[NH3+] ZINC000420484734 563265928 /nfs/dbraw/zinc/26/59/28/563265928.db2.gz YNJNZSKQWDGYMO-JGVFFNPUSA-N 1 0 387.752 2.769 20 0 GFADRO COc1cc(Br)c(C(=O)N[C@H](C)C2=CC[N@H+](C)CC2)cc1OC ZINC000295877551 563266188 /nfs/dbraw/zinc/26/61/88/563266188.db2.gz ZNKMALAGXHICNL-LLVKDONJSA-N 1 0 383.286 2.847 20 0 GFADRO C[N@@H+]1C[C@@H]2CN(S(=O)(=O)c3cncc(Cl)c3)C[C@@H]2[C@H]1c1ccccc1 ZINC000371371496 563274964 /nfs/dbraw/zinc/27/49/64/563274964.db2.gz SEMYLGSLWMJVNT-FHLIZLRMSA-N 1 0 377.897 2.658 20 0 GFADRO COC(=O)C1CC[NH+](CCCNC(=O)Cc2cccc(Cl)c2Cl)CC1 ZINC000278936076 563276614 /nfs/dbraw/zinc/27/66/14/563276614.db2.gz DXHNENALAFTRJK-UHFFFAOYSA-N 1 0 387.307 2.927 20 0 GFADRO C[C@H](Cc1cccc(Br)c1)NC(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000278980206 563278785 /nfs/dbraw/zinc/27/87/85/563278785.db2.gz JWQNCEVQQBZSIN-DGCLKSJQSA-N 1 0 377.286 2.610 20 0 GFADRO C[N@@H+]1CCCC12CCN(C(=O)c1ccc(I)cc1)CC2 ZINC000371492127 563279137 /nfs/dbraw/zinc/27/91/37/563279137.db2.gz BEDYIGKDVAMVNF-UHFFFAOYSA-N 1 0 384.261 2.992 20 0 GFADRO C[N@@H+]1CC[C@@]2(CCN(S(=O)(=O)c3cc(Cl)ccc3OC(F)F)C2)C1 ZINC000420725163 563279417 /nfs/dbraw/zinc/27/94/17/563279417.db2.gz MCZFUWCCWWTRMS-OAHLLOKOSA-N 1 0 380.844 2.658 20 0 GFADRO Cc1nn(C)c(C[NH2+]CC(C)(C)NC(=O)OC(C)(C)C)c1Br ZINC000279038224 563281234 /nfs/dbraw/zinc/28/12/34/563281234.db2.gz CJCKBHDGUVXDJF-UHFFFAOYSA-N 1 0 375.311 2.884 20 0 GFADRO Cc1nn(C)c(C[NH2+]CCCC(=O)N2CCc3ccccc32)c1Br ZINC000279036463 563281278 /nfs/dbraw/zinc/28/12/78/563281278.db2.gz CBAMEROORUTXBS-UHFFFAOYSA-N 1 0 391.313 2.950 20 0 GFADRO C[NH+](C)C1CCC(NS(=O)(=O)c2ccc(Br)c(F)c2)CC1 ZINC000420745339 563282226 /nfs/dbraw/zinc/28/22/26/563282226.db2.gz MDUJSBWTGBNWIF-UHFFFAOYSA-N 1 0 379.295 2.739 20 0 GFADRO COc1ccc([C@@H](C)NC(=O)c2cc([C@@H]3CC[NH2+]C3)n[nH]2)cc1Br ZINC000279080648 563283189 /nfs/dbraw/zinc/28/31/89/563283189.db2.gz VBIRCNCNASVZQD-ZYHUDNBSSA-N 1 0 393.285 2.749 20 0 GFADRO CN(C[C@@H]1CCC[N@@H+]1C)S(=O)(=O)c1cc(Br)sc1Cl ZINC000420759938 563284224 /nfs/dbraw/zinc/28/42/24/563284224.db2.gz FCPHUPCCLOQVMY-QMMMGPOBSA-N 1 0 387.752 2.879 20 0 GFADRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)N[C@H]1CCN(c2ccccc2Br)C1 ZINC000420787151 563285410 /nfs/dbraw/zinc/28/54/10/563285410.db2.gz JLYFIEPJXPISIJ-GJZGRUSLSA-N 1 0 395.345 2.763 20 0 GFADRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)N[C@@H]1COc2cc(F)c(Br)cc21 ZINC000420860912 563288587 /nfs/dbraw/zinc/28/85/87/563288587.db2.gz IYCLQHUTCRXTOL-IINYFYTJSA-N 1 0 386.265 2.757 20 0 GFADRO Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)[NH2+]C[C@@]1(O)CCS(=O)(=O)C1 ZINC000296558720 563292156 /nfs/dbraw/zinc/29/21/56/563292156.db2.gz SCDJIHLUPNNYHC-UGSOOPFHSA-N 1 0 380.535 2.627 20 0 GFADRO CSc1nsc(NC(=O)N2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)n1 ZINC000371973129 563292936 /nfs/dbraw/zinc/29/29/36/563292936.db2.gz OCVJUDJOXFTBTN-VXGBXAGGSA-N 1 0 385.559 2.613 20 0 GFADRO COCCC[N@@H+]1CCCN(C(=O)Cc2ccc(Br)c(F)c2)CC1 ZINC000372138379 563297314 /nfs/dbraw/zinc/29/73/14/563297314.db2.gz OGZZVKBBQNSLQF-UHFFFAOYSA-N 1 0 387.293 2.702 20 0 GFADRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)Nc1nnc2ccc(Br)cn21 ZINC000296736133 563299066 /nfs/dbraw/zinc/29/90/66/563299066.db2.gz HAJHPBUPGAKCIL-DGCLKSJQSA-N 1 0 393.289 2.582 20 0 GFADRO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H](C(N)=O)c2cccc(Br)c2)C[C@H]1C ZINC000279645454 563304592 /nfs/dbraw/zinc/30/45/92/563304592.db2.gz JTEFTNHPFVWMEL-MSQAHXEGSA-N 1 0 397.313 2.933 20 0 GFADRO C[NH+](C)C1CCC(NC(=O)C(=O)Nc2ccc(F)c(Br)c2)CC1 ZINC000421290600 563305937 /nfs/dbraw/zinc/30/59/37/563305937.db2.gz VCEFAPAKCXOSKA-UHFFFAOYSA-N 1 0 386.265 2.516 20 0 GFADRO C[N@@H+]1CCC[C@H](CNC(=O)NC[C@](C)(O)C(F)(F)F)[C@H]1c1cccs1 ZINC000372478203 563307952 /nfs/dbraw/zinc/30/79/52/563307952.db2.gz OWUIFTNYLJUBOW-ZLDLUXBVSA-N 1 0 379.448 2.744 20 0 GFADRO CS[C@@H]1CN(C(=O)N[C@@H](c2nc(C)cs2)C(F)(F)F)C[C@@H]1[NH+](C)C ZINC000296928627 563308897 /nfs/dbraw/zinc/30/88/97/563308897.db2.gz ISLBXCJEFTZERF-AXFHLTTASA-N 1 0 382.477 2.742 20 0 GFADRO CC(C)(O)C[N@@H+]1CCCN(C(=O)c2c[nH]c3cccc(Br)c32)CC1 ZINC000372545038 563310122 /nfs/dbraw/zinc/31/01/22/563310122.db2.gz HSULOQWXRVXFAN-UHFFFAOYSA-N 1 0 394.313 2.849 20 0 GFADRO COc1cc(Br)c(C[N@@H+]2CC[C@@]3(C2)CCCN(C)C3=O)cc1OC ZINC000372557301 563311377 /nfs/dbraw/zinc/31/13/77/563311377.db2.gz MIWKWVZDBFSDCS-GOSISDBHSA-N 1 0 397.313 2.911 20 0 GFADRO Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH2+]CC1(S(C)(=O)=O)CC1 ZINC000279866598 563313318 /nfs/dbraw/zinc/31/33/18/563313318.db2.gz SWBOKPPMRANOEJ-UHFFFAOYSA-N 1 0 381.929 2.868 20 0 GFADRO C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]CC1(S(C)(=O)=O)CCC1 ZINC000279871556 563313538 /nfs/dbraw/zinc/31/35/38/563313538.db2.gz TZEYPBRDZYSBKY-CQSZACIVSA-N 1 0 386.945 2.634 20 0 GFADRO CC[C@H](C)[NH+]1CCN(C(=O)C[C@@](O)(c2nc(C)cs2)C(F)(F)F)CC1 ZINC000297053062 563314097 /nfs/dbraw/zinc/31/40/97/563314097.db2.gz UGODDTXUMDMPNJ-SWLSCSKDSA-N 1 0 379.448 2.534 20 0 GFADRO C[C@H]([NH2+]C[C@H]1CCC[C@@]12NC(=O)N(C)C2=O)c1ccc(Br)cc1F ZINC000372708462 563314774 /nfs/dbraw/zinc/31/47/74/563314774.db2.gz ZBEIVIRPRQHMAZ-WVQJBOLRSA-N 1 0 398.276 2.959 20 0 GFADRO COCCC[NH+]1CCC(NC(=O)N[C@H](c2nccs2)C(F)(F)F)CC1 ZINC000297116476 563315971 /nfs/dbraw/zinc/31/59/71/563315971.db2.gz XOAMUVWFLBWCGP-GFCCVEGCSA-N 1 0 380.436 2.547 20 0 GFADRO CC[C@@H](NC(=O)NCC1CC[NH+](Cc2cccs2)CC1)[C@@H](O)C(F)F ZINC000297163850 563318116 /nfs/dbraw/zinc/31/81/16/563318116.db2.gz JNBFQQNQVKQHES-HUUCEWRRSA-N 1 0 375.485 2.664 20 0 GFADRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)NCc3ccc(O)c(Br)c3)C2)C1 ZINC000297223851 563320491 /nfs/dbraw/zinc/32/04/91/563320491.db2.gz HROXUWADQYQKQY-QGZVFWFLSA-N 1 0 382.302 2.782 20 0 GFADRO C[C@H](N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000280071919 563320889 /nfs/dbraw/zinc/32/08/89/563320889.db2.gz LBBORQVECRPRQV-GARJFASQSA-N 1 0 392.352 2.917 20 0 GFADRO Cc1cc(C[C@@H](C)[NH2+][C@@H](C)c2cc(S(N)(=O)=O)c(Cl)cc2Cl)[nH]n1 ZINC000280081074 563321734 /nfs/dbraw/zinc/32/17/34/563321734.db2.gz LUBAGYVTCBXGHW-SCZZXKLOSA-N 1 0 391.324 2.954 20 0 GFADRO C[NH+](C)CCn1nccc1NC(=O)NCCc1ccc(Br)cc1 ZINC000297438512 563326091 /nfs/dbraw/zinc/32/60/91/563326091.db2.gz POJHBPCEIOEPQG-UHFFFAOYSA-N 1 0 380.290 2.571 20 0 GFADRO O=C(Nc1ccc(F)cc1Br)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000373079602 563327471 /nfs/dbraw/zinc/32/74/71/563327471.db2.gz XXPDBIIGBKCRTF-CABCVRRESA-N 1 0 386.265 2.651 20 0 GFADRO CCOc1cc(C[N@@H+]2CC[C@@H](C(=O)N3CCCC3)C2)cc(Br)c1O ZINC000297493053 563327570 /nfs/dbraw/zinc/32/75/70/563327570.db2.gz UGBSWTZVRNDXCT-CQSZACIVSA-N 1 0 397.313 2.998 20 0 GFADRO CC[NH+]1CCC(N2CCCN(C(=O)COc3ccsc3Cl)CC2)CC1 ZINC000422021553 563328156 /nfs/dbraw/zinc/32/81/56/563328156.db2.gz NTWROVRUXWYXCC-UHFFFAOYSA-N 1 0 385.961 2.799 20 0 GFADRO O=C(Nc1ccc(I)cc1)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000373087751 563328535 /nfs/dbraw/zinc/32/85/35/563328535.db2.gz NPSOTXNAANKCAH-AWEZNQCLSA-N 1 0 385.249 2.993 20 0 GFADRO C[C@@H]1OCC[C@@]12C[N@H+](CCC(=O)Nc1ccccc1Br)CCO2 ZINC000280248559 563328867 /nfs/dbraw/zinc/32/88/67/563328867.db2.gz BVIJTCCVJVLVBI-SUMWQHHRSA-N 1 0 383.286 2.658 20 0 GFADRO CN(C[C@H](O)c1ccccc1Br)C(=O)NCCC1CC[NH+](C)CC1 ZINC000297569023 563329991 /nfs/dbraw/zinc/32/99/91/563329991.db2.gz HBOHXMLFTJMOJE-KRWDZBQOSA-N 1 0 398.345 2.856 20 0 GFADRO COC(=O)c1ccc(CNC(=O)N(CC[NH+](C)C)Cc2ccsc2)s1 ZINC000422259668 563335075 /nfs/dbraw/zinc/33/50/75/563335075.db2.gz ZCSGTWYATFHZJB-UHFFFAOYSA-N 1 0 381.523 2.870 20 0 GFADRO CCOc1cc(C[NH2+]C[C@H](CO)[C@@H]2CCOC2)cc(Br)c1OC ZINC000280399201 563335617 /nfs/dbraw/zinc/33/56/17/563335617.db2.gz XPMLYAXXGANUOG-ZIAGYGMSSA-N 1 0 388.302 2.591 20 0 GFADRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)C3(c4ccc(Br)cc4)CCOCC3)C[C@@H]12 ZINC000373398198 563336618 /nfs/dbraw/zinc/33/66/18/563336618.db2.gz IMCPNUCLGFWVDD-KBRIMQKVSA-N 1 0 393.325 2.693 20 0 GFADRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)C3(c4ccc(Br)cc4)CCOCC3)C[C@@H]12 ZINC000373398196 563336899 /nfs/dbraw/zinc/33/68/99/563336899.db2.gz IMCPNUCLGFWVDD-IAOVAPTHSA-N 1 0 393.325 2.693 20 0 GFADRO COc1ccc(C[NH2+][C@@H](C)c2ccc(Br)c(S(N)(=O)=O)c2)cc1 ZINC000280445925 563338032 /nfs/dbraw/zinc/33/80/32/563338032.db2.gz CIFYCCHNTHOXGR-NSHDSACASA-N 1 0 399.310 2.956 20 0 GFADRO C[NH+](C)C/C=C/C(=O)N[C@@H](CO)c1ccc(Br)cc1C(F)(F)F ZINC000280457513 563338494 /nfs/dbraw/zinc/33/84/94/563338494.db2.gz IGQFJFUIMUZIEQ-OOPCZODUSA-N 1 0 395.219 2.735 20 0 GFADRO Fc1cnccc1-c1nnc(C[NH2+]C2CCN(c3nccs3)CC2)s1 ZINC000373470602 563339194 /nfs/dbraw/zinc/33/91/94/563339194.db2.gz SJCJDRPUZJUODA-UHFFFAOYSA-N 1 0 376.486 2.954 20 0 GFADRO C[C@H]([NH2+]C1CC(N2CCC(C(F)(F)F)CC2)C1)C1CCS(=O)(=O)CC1 ZINC000373481475 563339302 /nfs/dbraw/zinc/33/93/02/563339302.db2.gz DZCUJOOZGXDHMQ-JQRITLKVSA-N 1 0 382.492 2.595 20 0 GFADRO C[C@@H](Cn1cc(Br)cn1)[NH2+]C[C@@H]1CC(=O)N(C)[C@H]1c1ccccc1 ZINC000373478440 563339571 /nfs/dbraw/zinc/33/95/71/563339571.db2.gz GHCBJYSQBNPVEH-YEWWUXTCSA-N 1 0 391.313 2.843 20 0 GFADRO CCC[C@@H](CCO)C[NH2+][C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000280541769 563342582 /nfs/dbraw/zinc/34/25/82/563342582.db2.gz HZYCEMZMNXFDQW-RYUDHWBXSA-N 1 0 393.347 2.546 20 0 GFADRO O=S(=O)(c1cc(Cl)c(Br)cc1F)N1CCC2(CC[NH2+]2)CC1 ZINC000422555719 563342932 /nfs/dbraw/zinc/34/29/32/563342932.db2.gz QWMHUSQUXCNIQY-UHFFFAOYSA-N 1 0 397.697 2.758 20 0 GFADRO COc1cc(C(F)(F)F)cc(S(=O)(=O)N2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)c1 ZINC000422556798 563343261 /nfs/dbraw/zinc/34/32/61/563343261.db2.gz UOANORAUGIFQFN-UTUOFQBUSA-N 1 0 380.432 2.708 20 0 GFADRO CCS(=O)(=O)c1ccc(C[NH2+][C@H](C)Cn2cc(Br)cn2)s1 ZINC000280588397 563344534 /nfs/dbraw/zinc/34/45/34/563344534.db2.gz NAKLJSUPWFIKJY-SNVBAGLBSA-N 1 0 392.344 2.679 20 0 GFADRO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)[C@H]1CCN(CC(F)(F)F)C1 ZINC000280589061 563345023 /nfs/dbraw/zinc/34/50/23/563345023.db2.gz DTCNILKQNIPZQK-UONOGXRCSA-N 1 0 375.460 2.885 20 0 GFADRO CN(C)CC[N@H+](C)CCCN(C)C(=O)Nc1cc(Cl)c(N)c(Cl)c1 ZINC000298212307 563347740 /nfs/dbraw/zinc/34/77/40/563347740.db2.gz ZGKPDQBBTVAWSX-UHFFFAOYSA-N 1 0 376.332 2.923 20 0 GFADRO Cc1ccc(Br)c(NC(=O)C(=O)NC2CC([NH+]3CCCCC3)C2)c1 ZINC000373730067 563348555 /nfs/dbraw/zinc/34/85/55/563348555.db2.gz OKEUEAUCBCVMSJ-UHFFFAOYSA-N 1 0 394.313 2.829 20 0 GFADRO C[C@H](NCC(C)(C)S(=O)(=O)c1ccc(Br)cc1)[C@@H]1CCC[NH2+]1 ZINC000422759586 563349377 /nfs/dbraw/zinc/34/93/77/563349377.db2.gz LBSDRWGICUCENT-WFASDCNBSA-N 1 0 389.359 2.732 20 0 GFADRO C[C@H](C[C@H]1COCCN1)[NH2+]CC1(c2ccc(Br)cc2)CCOCC1 ZINC000422884410 563350174 /nfs/dbraw/zinc/35/01/74/563350174.db2.gz WULOCDPMHPMSDJ-QAPCUYQASA-N 1 0 397.357 2.854 20 0 GFADRO CN(Cc1ccc(Br)cc1)C(=O)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000422929119 563350836 /nfs/dbraw/zinc/35/08/36/563350836.db2.gz OHZBQOCRZOKIJO-INIZCTEOSA-N 1 0 377.286 2.842 20 0 GFADRO C[C@H](C[C@@H]1COCCN1)[NH2+]C[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000422933087 563350895 /nfs/dbraw/zinc/35/08/95/563350895.db2.gz BGBZVGWYDLWTGY-HLLBOEOZSA-N 1 0 382.346 2.632 20 0 GFADRO CCN(CC)S(=O)(=O)c1ccc(CN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)s1 ZINC000422943255 563351495 /nfs/dbraw/zinc/35/14/95/563351495.db2.gz XTOSYHJCYVQJIP-BRWVUGGUSA-N 1 0 385.599 2.789 20 0 GFADRO Cn1cnnc1Sc1ccc(NC(=O)[C@]23CCC[C@@H]2C[NH2+]C3)cc1Cl ZINC000280721151 563351663 /nfs/dbraw/zinc/35/16/63/563351663.db2.gz FUFZTRZDSMLLOH-DIFFPNOSSA-N 1 0 377.901 2.948 20 0 GFADRO C[NH+](C)CCCNC(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000298350082 563352080 /nfs/dbraw/zinc/35/20/80/563352080.db2.gz TYNJGPNIIOLUHH-AWEZNQCLSA-N 1 0 386.323 2.914 20 0 GFADRO C[NH2+]CCC1CCN(C(=O)C(=O)N(C)Cc2cccc(Cl)c2Cl)CC1 ZINC000422994841 563352260 /nfs/dbraw/zinc/35/22/60/563352260.db2.gz IQZRQRMQFFJFDD-UHFFFAOYSA-N 1 0 386.323 2.800 20 0 GFADRO CC(C)N(Cc1cc(Br)ccc1F)C(=O)c1cn(CCC[NH3+])nn1 ZINC000423000602 563352489 /nfs/dbraw/zinc/35/24/89/563352489.db2.gz VSCZUATVLDCJGM-UHFFFAOYSA-N 1 0 398.280 2.579 20 0 GFADRO C[C@@H]1CC[NH2+][C@H](C(=O)N2CCN(C(=O)c3cc(Cl)cc(Cl)c3)CC2)C1 ZINC000422980364 563352580 /nfs/dbraw/zinc/35/25/80/563352580.db2.gz LRQGIYIPIBSJMP-WBMJQRKESA-N 1 0 384.307 2.666 20 0 GFADRO COC(=O)C[C@H](NC(=O)[C@@H]1CCC[NH2+][C@@H]1C)c1ccc(Br)cc1 ZINC000423014232 563353274 /nfs/dbraw/zinc/35/32/74/563353274.db2.gz OMJSJBYGOBCCOW-DFBGVHRSSA-N 1 0 383.286 2.558 20 0 GFADRO C[C@@H]1CN(C(=O)C(=O)N(Cc2cccs2)Cc2cccs2)C[C@H](C)[NH2+]1 ZINC000423012258 563353488 /nfs/dbraw/zinc/35/34/88/563353488.db2.gz CPQNJDFOTLAFOH-OKILXGFUSA-N 1 0 377.535 2.547 20 0 GFADRO CC[NH+]1CCN([C@H]2CCN(Cc3c(F)ccc(Br)c3F)C2)CC1 ZINC000280782071 563353907 /nfs/dbraw/zinc/35/39/07/563353907.db2.gz BFLCNIJNBJRADN-ZDUSSCGKSA-N 1 0 388.300 2.939 20 0 GFADRO [NH3+]CCCn1cc(C(=O)N[C@@H](c2ccc(Br)cc2)C2CCC2)nn1 ZINC000423051515 563354082 /nfs/dbraw/zinc/35/40/82/563354082.db2.gz NQRAOUJFNZLQOT-MRXNPFEDSA-N 1 0 392.301 2.661 20 0 GFADRO CN(C)C(=O)CC[NH2+][C@@H](CO)c1ccc(Br)cc1C(F)(F)F ZINC000280776255 563354262 /nfs/dbraw/zinc/35/42/62/563354262.db2.gz PPEUODJHEKOOHB-LBPRGKRZSA-N 1 0 383.208 2.569 20 0 GFADRO CC1(C)CCC[NH2+][C@@H]1C(=O)NC[C@@H](O)COc1cccc(Cl)c1Cl ZINC000423079218 563354792 /nfs/dbraw/zinc/35/47/92/563354792.db2.gz XTEBLZCWCCJWPE-IAQYHMDHSA-N 1 0 375.296 2.628 20 0 GFADRO [NH3+]CCCCn1cc(C(=O)NCCCOc2ccc(Cl)cc2Cl)nn1 ZINC000423080360 563354836 /nfs/dbraw/zinc/35/48/36/563354836.db2.gz ADDLLZSBNIBWGY-UHFFFAOYSA-N 1 0 386.283 2.523 20 0 GFADRO CC(C)[N@H+](C)CCCNC(=O)Cc1csc(NC(=O)c2cccs2)n1 ZINC000298410979 563354914 /nfs/dbraw/zinc/35/49/14/563354914.db2.gz NPVZUFLGLMTEOD-UHFFFAOYSA-N 1 0 380.539 2.846 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)[C@H]1[NH2+]CCCC1(C)C ZINC000423107888 563355119 /nfs/dbraw/zinc/35/51/19/563355119.db2.gz LMOYWDRSNKUUKN-MRXNPFEDSA-N 1 0 396.329 2.981 20 0 GFADRO CN(Cc1c(Cl)cccc1Cl)C(=O)C(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000423104841 563355711 /nfs/dbraw/zinc/35/57/11/563355711.db2.gz QGOFANLAOAWLSW-GOSISDBHSA-N 1 0 384.307 2.554 20 0 GFADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)C2(c3cccc(Br)c3)CC(=O)C2)C1 ZINC000280829431 563355911 /nfs/dbraw/zinc/35/59/11/563355911.db2.gz SSJVIKSMROCPMN-AWEZNQCLSA-N 1 0 393.325 2.850 20 0 GFADRO CCOC(=O)[C@H]1NCC[C@H]1[NH2+]CC1(c2ccc(Br)s2)CCC1 ZINC000423113126 563356345 /nfs/dbraw/zinc/35/63/45/563356345.db2.gz YMGDLMXPNSETKY-RISCZKNCSA-N 1 0 387.343 2.816 20 0 GFADRO CCCS(=O)(=O)Nc1cc(NC(=O)[C@H](C(C)C)[C@H](C)[NH3+])c(F)cc1F ZINC000423126492 563356358 /nfs/dbraw/zinc/35/63/58/563356358.db2.gz IVXRMHKIBANTMX-ZUZCIYMTSA-N 1 0 377.457 2.674 20 0 GFADRO CC1(C)CCC[NH2+][C@@H]1C(=O)NCc1nnc(-c2ccc(Br)cc2)[nH]1 ZINC000423137292 563357200 /nfs/dbraw/zinc/35/72/00/563357200.db2.gz QOPVXPQQCRKLAR-CQSZACIVSA-N 1 0 392.301 2.629 20 0 GFADRO CCOC(=O)c1sc2ccsc2c1CNC(=O)COC1CC[NH2+]CC1 ZINC000423172645 563357875 /nfs/dbraw/zinc/35/78/75/563357875.db2.gz UOBLFMKCRWMMJO-UHFFFAOYSA-N 1 0 382.507 2.524 20 0 GFADRO COc1ccc(Br)cc1C[C@@H](CO)CN[C@H](C)[C@H]1CCCC[NH2+]1 ZINC000423161691 563357888 /nfs/dbraw/zinc/35/78/88/563357888.db2.gz OCKQVIVGUOYHPS-CKEIUWERSA-N 1 0 385.346 2.729 20 0 GFADRO CC(C)[C@H]([NH2+]CCC(=O)Nc1cccc(Br)c1)c1nncn1C ZINC000298520010 563358342 /nfs/dbraw/zinc/35/83/42/563358342.db2.gz LHZAOCPSDVIYMO-HNNXBMFYSA-N 1 0 380.290 2.893 20 0 GFADRO O=C(CC[N@@H+]1CCC[C@H](c2nc(=O)[nH][nH]2)C1)Nc1cc(Cl)ccc1Cl ZINC000298542926 563358664 /nfs/dbraw/zinc/35/86/64/563358664.db2.gz NHWAFPRZTRPIGH-JTQLQIEISA-N 1 0 384.267 2.613 20 0 GFADRO Cn1cc(Br)c(C(=O)N2C[C@@H]3CCC[N@@H+]3Cc3ccccc32)n1 ZINC000298539865 563358731 /nfs/dbraw/zinc/35/87/31/563358731.db2.gz JTZKGNDGBQFQSJ-ZDUSSCGKSA-N 1 0 375.270 2.807 20 0 GFADRO CCn1ccnc1[C@H](N[C@H]1CC[NH2+]C1)c1ccc(I)cc1 ZINC000423219078 563359457 /nfs/dbraw/zinc/35/94/57/563359457.db2.gz VUOHBQFTMYWLOZ-LSDHHAIUSA-N 1 0 396.276 2.549 20 0 GFADRO CC[C@H](Cc1ccccc1Br)NC(=O)c1cn(CCCC[NH3+])nn1 ZINC000423282735 563359572 /nfs/dbraw/zinc/35/95/72/563359572.db2.gz WWIIRUNZPXKSMQ-CQSZACIVSA-N 1 0 394.317 2.531 20 0 GFADRO O[C@H](COc1cc(Cl)ccc1Cl)C[N@@H+]1CCC[C@@H]1[C@@H]1COCC[C@@H]1O ZINC000374075290 563360638 /nfs/dbraw/zinc/36/06/38/563360638.db2.gz RUZVMIHGTKWREI-DIECFANBSA-N 1 0 390.307 2.595 20 0 GFADRO C[C@@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH2+]C[C@@H]1CNCCO1 ZINC000423571295 563362039 /nfs/dbraw/zinc/36/20/39/563362039.db2.gz NOVGUZOZSIODOK-JQWIXIFHSA-N 1 0 379.810 2.654 20 0 GFADRO [NH3+]C1CCN(C(=O)C(=O)N2CCC(c3ccc(Cl)cc3Cl)CC2)CC1 ZINC000423649431 563362806 /nfs/dbraw/zinc/36/28/06/563362806.db2.gz SNWAWUBYYKTYPZ-UHFFFAOYSA-N 1 0 384.307 2.649 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C(=O)N[C@@H]1CC[NH2+]C1(C)C ZINC000423704333 563363624 /nfs/dbraw/zinc/36/36/24/563363624.db2.gz DZDIQHPMYUFONQ-OAHLLOKOSA-N 1 0 377.286 2.814 20 0 GFADRO C[NH+](C)CC1(NC(=O)c2ncc(Br)cc2Br)CCC1 ZINC000281011924 563363767 /nfs/dbraw/zinc/36/37/67/563363767.db2.gz FMOISYMDXOIOJA-UHFFFAOYSA-N 1 0 391.107 2.821 20 0 GFADRO CN(C[C@H](O)c1cccc(Br)c1)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000298684733 563364030 /nfs/dbraw/zinc/36/40/30/563364030.db2.gz UUFNGQRWZXGROV-HMQMGEFJSA-N 1 0 396.329 2.749 20 0 GFADRO COCC[C@@H](NC(=O)COC1CC[NH2+]CC1)c1ccc(Cl)c(Cl)c1 ZINC000423930933 563364343 /nfs/dbraw/zinc/36/43/43/563364343.db2.gz LRRVCCUELJFRMJ-MRXNPFEDSA-N 1 0 375.296 2.956 20 0 GFADRO COC[C@]1(C(=O)N(C)Cc2ccc(Br)cc2Cl)CC[NH2+]C1 ZINC000423878267 563364369 /nfs/dbraw/zinc/36/43/69/563364369.db2.gz PSKQTHHDFFTDOF-HNNXBMFYSA-N 1 0 375.694 2.687 20 0 GFADRO CN(C(=O)c1ccc(Cl)c(I)c1)[C@@H](C[NH3+])C1CC1 ZINC000423953722 563365869 /nfs/dbraw/zinc/36/58/69/563365869.db2.gz QYMDGBUHLLWVFA-LBPRGKRZSA-N 1 0 378.641 2.754 20 0 GFADRO CN(CC[NH3+])C(=O)c1cnn(-c2ncc(Cl)cc2Cl)c1C(F)(F)F ZINC000424014413 563367143 /nfs/dbraw/zinc/36/71/43/563367143.db2.gz ZWFYRTITMZBKAV-UHFFFAOYSA-N 1 0 382.173 2.624 20 0 GFADRO COc1cc(C(=O)N2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)cc(OC)c1Br ZINC000424051405 563368634 /nfs/dbraw/zinc/36/86/34/563368634.db2.gz JMRMGXAERYJREE-GVXVVHGQSA-N 1 0 385.302 2.912 20 0 GFADRO COc1cc([C@H](C)[NH2+][C@@H](CO)CC2CCC2)ccc1S(=O)(=O)C(F)F ZINC000281230204 563370364 /nfs/dbraw/zinc/37/03/64/563370364.db2.gz UQHBWROIHNPDBE-SMDDNHRTSA-N 1 0 377.453 2.893 20 0 GFADRO O=C(CC[N@@H+]1CCC[C@@H](c2nnc[nH]2)C1)Nc1ccccc1Br ZINC000374528318 563375008 /nfs/dbraw/zinc/37/50/08/563375008.db2.gz BFDOLTKWRDHSAQ-GFCCVEGCSA-N 1 0 378.274 2.775 20 0 GFADRO O=C1N[C@H]2CCN(Cc3nc(-c4ccc(Br)cc4)c[nH]3)C[C@@H]2CO1 ZINC000281395643 563375836 /nfs/dbraw/zinc/37/58/36/563375836.db2.gz XEJNAPZCMKCYFB-OCCSQVGLSA-N 1 0 391.269 2.770 20 0 GFADRO C[C@H](Cn1cc(Br)cn1)[NH2+]CCNC(=O)CCCc1ccccc1 ZINC000424316337 563376161 /nfs/dbraw/zinc/37/61/61/563376161.db2.gz DCEKNLWXZDXIIJ-OAHLLOKOSA-N 1 0 393.329 2.763 20 0 GFADRO Cc1sc2ncnc(SCC(=O)N3C[C@@H]4CCC[C@@H]([NH3+])[C@H]4C3)c2c1C ZINC000374606156 563377162 /nfs/dbraw/zinc/37/71/62/563377162.db2.gz RKTJBSIPPZBLBG-MELADBBJSA-N 1 0 376.551 2.986 20 0 GFADRO COc1cc(C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc(OC)c1Br ZINC000374611662 563377469 /nfs/dbraw/zinc/37/74/69/563377469.db2.gz KBEFOMXGXDMDBK-CYZMBNFOSA-N 1 0 383.286 2.666 20 0 GFADRO Cn1ccnc1[C@@](O)(C[NH2+]Cc1ccc(Br)s1)C(F)(F)F ZINC000299309462 563381627 /nfs/dbraw/zinc/38/16/27/563381627.db2.gz DQKHNHOVWABRGB-NSHDSACASA-N 1 0 384.221 2.784 20 0 GFADRO O=C(Cc1noc2ccc(Br)cc21)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000424599204 563383052 /nfs/dbraw/zinc/38/30/52/563383052.db2.gz WBOMAJGTIBTIET-HIFRSBDPSA-N 1 0 378.270 2.876 20 0 GFADRO COc1ncc(C(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)cc1Br ZINC000424658550 563385428 /nfs/dbraw/zinc/38/54/28/563385428.db2.gz GSGZHYWPFOWDBB-CQSZACIVSA-N 1 0 382.302 2.943 20 0 GFADRO Cc1cc(Br)cn2c(CN3CCC[C@H]3C(=O)NC3CC3)cnc12 ZINC000374946087 563386371 /nfs/dbraw/zinc/38/63/71/563386371.db2.gz NOAXTQPAWHDBRG-HNNXBMFYSA-N 1 0 377.286 2.648 20 0 GFADRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)Cc1noc2ccc(Br)cc21 ZINC000424677733 563386601 /nfs/dbraw/zinc/38/66/01/563386601.db2.gz APDQCIAHJJUGBZ-ABAIWWIYSA-N 1 0 380.286 2.931 20 0 GFADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)c3cnn(-c4ccc(Br)cc4)c3)C[C@H]21 ZINC000375014284 563388174 /nfs/dbraw/zinc/38/81/74/563388174.db2.gz AQBSKCUDTWYCFX-CXAGYDPISA-N 1 0 389.297 2.801 20 0 GFADRO COc1ncc(C(=O)N(CC[NH+](C)C)Cc2ccco2)cc1Br ZINC000424721431 563388381 /nfs/dbraw/zinc/38/83/81/563388381.db2.gz VVVLWTYXQOLTPH-UHFFFAOYSA-N 1 0 382.258 2.650 20 0 GFADRO OCCOC1(C[NH2+]Cc2ccc(Br)c3cccnc23)CCOCC1 ZINC000281835465 563388600 /nfs/dbraw/zinc/38/86/00/563388600.db2.gz AGFCMQOUOBZMAB-UHFFFAOYSA-N 1 0 395.297 2.645 20 0 GFADRO C[N@@H+]1CCN(CCNC(=O)c2c[nH]nc2-c2ccc(Cl)s2)CC1(C)C ZINC000281883727 563389055 /nfs/dbraw/zinc/38/90/55/563389055.db2.gz XMKISBWMZSEGIR-UHFFFAOYSA-N 1 0 381.933 2.547 20 0 GFADRO O=C(NC1CC[NH+](Cc2ccccn2)CC1)N1CCC=C(Br)C1 ZINC000281885286 563389188 /nfs/dbraw/zinc/38/91/88/563389188.db2.gz PQYHRPIOTAJATP-UHFFFAOYSA-N 1 0 379.302 2.740 20 0 GFADRO CC(C)[NH+]1CCC(O)(CNC(=O)c2cn3cc(Cl)cc(Cl)c3n2)CC1 ZINC000281884533 563389212 /nfs/dbraw/zinc/38/92/12/563389212.db2.gz GLXPSUIQCMPEND-UHFFFAOYSA-N 1 0 385.295 2.606 20 0 GFADRO Cc1sc(C(=O)Nc2ccc(=O)n(CC[NH+](C)C)c2)cc1Br ZINC000424766956 563390862 /nfs/dbraw/zinc/39/08/62/563390862.db2.gz KOUFAAGZMHXNOK-UHFFFAOYSA-N 1 0 384.299 2.795 20 0 GFADRO C[N@@H+]1CCCC12CCN(C(=O)c1cc3c(c(Br)c1)OCO3)CC2 ZINC000375209384 563394838 /nfs/dbraw/zinc/39/48/38/563394838.db2.gz VPJPRKYNHWCEEY-UHFFFAOYSA-N 1 0 381.270 2.878 20 0 GFADRO CC[C@H](C(=O)NCc1cc(Cl)cc(I)c1)[NH+](C)C ZINC000424880859 563395982 /nfs/dbraw/zinc/39/59/82/563395982.db2.gz BKCKKAROHOGWDG-GFCCVEGCSA-N 1 0 380.657 2.901 20 0 GFADRO C[C@H](c1cccc(Br)c1)N1CCN(CC[N@@H+]2CCCOCC2)CC1 ZINC000375338523 563400734 /nfs/dbraw/zinc/40/07/34/563400734.db2.gz RPRSPQDCTWDWTN-QGZVFWFLSA-N 1 0 396.373 2.850 20 0 GFADRO C[N@@H+]1C[C@@H]2CCCN(C(=O)C3(c4cccc(Br)c4)CC(=O)C3)[C@@H]2C1 ZINC000425066183 563402780 /nfs/dbraw/zinc/40/27/80/563402780.db2.gz NNJAPEGUCDMFNL-SUMWQHHRSA-N 1 0 391.309 2.602 20 0 GFADRO CNS(=O)(=O)c1ccc(NC[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)nc1 ZINC000301421477 563402926 /nfs/dbraw/zinc/40/29/26/563402926.db2.gz NRNGGTZQMUKUDO-CXAGYDPISA-N 1 0 380.539 2.546 20 0 GFADRO Cc1ccc(S(=O)(=O)NCC[NH2+]Cc2ccc(-c3cnn(C)c3)s2)s1 ZINC000282262510 563404374 /nfs/dbraw/zinc/40/43/74/563404374.db2.gz NWSMQQYLDCWTIR-UHFFFAOYSA-N 1 0 396.563 2.587 20 0 GFADRO Cc1cc(C(=O)Nc2cc(Br)ccc2N(C)CC[NH+](C)C)on1 ZINC000425096520 563404408 /nfs/dbraw/zinc/40/44/08/563404408.db2.gz FNBYLSYWGFGJEF-UHFFFAOYSA-N 1 0 381.274 2.996 20 0 GFADRO CN(CC[NH+](C)C)c1ccc(Br)cc1NC(=O)C[C@](C)(O)C1CC1 ZINC000425099749 563404778 /nfs/dbraw/zinc/40/47/78/563404778.db2.gz RBHYPOCYQSXXJK-SFHVURJKSA-N 1 0 398.345 2.937 20 0 GFADRO Cn1ccnc1[C@H]1CCCN1C(=O)c1cc(I)ccc1O ZINC000375458100 563405902 /nfs/dbraw/zinc/40/59/02/563405902.db2.gz OCUPQTPCJSORRI-GFCCVEGCSA-N 1 0 397.216 2.708 20 0 GFADRO CC(C)Oc1cc(Br)ccc1C(=O)N1CCC[N@@H+]([C@H](C)CO)CC1 ZINC000375486122 563407384 /nfs/dbraw/zinc/40/73/84/563407384.db2.gz RZVGEWKAPAVRDZ-CQSZACIVSA-N 1 0 399.329 2.765 20 0 GFADRO C[NH+](C)CCCOC1CCN(S(=O)(=O)CCc2ccc(Cl)cc2)CC1 ZINC000425168616 563407356 /nfs/dbraw/zinc/40/73/56/563407356.db2.gz LXUQEDMDBOHORR-UHFFFAOYSA-N 1 0 388.961 2.645 20 0 GFADRO CS(=O)(=O)c1cccc(Cl)c1C[NH2+]C1CCN(c2nccs2)CC1 ZINC000282359925 563408517 /nfs/dbraw/zinc/40/85/17/563408517.db2.gz WCKXSFNXNDMWAV-UHFFFAOYSA-N 1 0 385.942 2.959 20 0 GFADRO O=C(COc1ccccc1)N1CC[C@H]([NH2+]Cc2cncc(Br)c2)C1 ZINC000282427175 563410684 /nfs/dbraw/zinc/41/06/84/563410684.db2.gz CCHVDLVIVADSNX-INIZCTEOSA-N 1 0 390.281 2.614 20 0 GFADRO CSc1nc2ncnc(N3CCN(C4=NCC(C)(C)S4)CC3)c2s1 ZINC000301753461 563411616 /nfs/dbraw/zinc/41/16/16/563411616.db2.gz WAKRARJLFDWKTE-UHFFFAOYSA-N 1 0 380.568 2.812 20 0 GFADRO O=C(N[C@@H]1COc2cc(F)c(Br)cc21)NC1CC[NH+](C2CC2)CC1 ZINC000282445221 563412100 /nfs/dbraw/zinc/41/21/00/563412100.db2.gz GETCLFDBKVBRGL-OAHLLOKOSA-N 1 0 398.276 2.948 20 0 GFADRO COc1cc2[nH+]ccc(NCC3(C(N)=O)CCCC3)c2cc1Br ZINC000425221741 563412910 /nfs/dbraw/zinc/41/29/10/563412910.db2.gz FWHPGVNYSYFJEC-UHFFFAOYSA-N 1 0 378.270 2.885 20 0 GFADRO COc1cc2[nH+]ccc(N[C@H](CO)C3CCOCC3)c2cc1Br ZINC000425259444 563415846 /nfs/dbraw/zinc/41/58/46/563415846.db2.gz LXFVDXQANURZBW-MRXNPFEDSA-N 1 0 381.270 2.627 20 0 GFADRO CCOc1ccccc1C[NH2+]C[C@@H]1CCN(S(=O)(=O)c2cccs2)C1 ZINC000375744191 563417163 /nfs/dbraw/zinc/41/71/63/563417163.db2.gz MOZJALBXGUDPIU-HNNXBMFYSA-N 1 0 380.535 2.947 20 0 GFADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)C3(c4cncc(Br)c4)CC3)CC[C@@H]21 ZINC000282640187 563419285 /nfs/dbraw/zinc/41/92/85/563419285.db2.gz GWHAIXKKIYJXLG-CJNGLKHVSA-N 1 0 378.314 2.818 20 0 GFADRO O=C1CC[C@@H]([NH2+]Cc2cc(Br)c3c(c2)OCCCO3)C2(CCC2)N1 ZINC000282669323 563420242 /nfs/dbraw/zinc/42/02/42/563420242.db2.gz JICNFFSAJQFUIS-OAHLLOKOSA-N 1 0 395.297 2.901 20 0 GFADRO CN(C)S(=O)(=O)c1ccc(C[NH2+][C@@H]2CCN(C)[C@@H]2c2ccccc2)s1 ZINC000425444493 563422783 /nfs/dbraw/zinc/42/27/83/563422783.db2.gz NURXEQLIOACZAI-SJLPKXTDSA-N 1 0 379.551 2.533 20 0 GFADRO O=C1C[C@]2(CC[N@@H+](Cc3ncc(-c4ccccc4Br)o3)C2)CN1 ZINC000375903938 563422784 /nfs/dbraw/zinc/42/27/84/563422784.db2.gz IFSSPGCQDLTYDN-QGZVFWFLSA-N 1 0 376.254 2.816 20 0 GFADRO CCC[N@@H+]1CC[C@@H](CNC(=O)NC[C@@H](O)c2cccc(Br)c2)C1 ZINC000282780998 563424156 /nfs/dbraw/zinc/42/41/56/563424156.db2.gz FXOUQHQDXQSYAY-XJKSGUPXSA-N 1 0 384.318 2.514 20 0 GFADRO C[C@@H]1CC[NH2+][C@@H](C)[C@H]1NC(=O)C1CCN(C(=O)c2ccc(Cl)s2)CC1 ZINC000375938553 563424208 /nfs/dbraw/zinc/42/42/08/563424208.db2.gz SOZDEAZHVLHDID-WQGACYEGSA-N 1 0 383.945 2.756 20 0 GFADRO COC(=O)[C@@H]1C[N@H+](CCCn2ccnc2)C[C@H]1c1ccc(Br)cc1 ZINC000425506075 563425501 /nfs/dbraw/zinc/42/55/01/563425501.db2.gz CRKCFLIVSWTRGN-DLBZAZTESA-N 1 0 392.297 2.924 20 0 GFADRO COCC(C)(C)[NH+]1CCN([C@H](C)C(=O)Nc2ccccc2Br)CC1 ZINC000425507296 563425665 /nfs/dbraw/zinc/42/56/65/563425665.db2.gz MDMXNLMDCVPVJU-CQSZACIVSA-N 1 0 398.345 2.819 20 0 GFADRO [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NS(=O)(=O)c1sccc1Br ZINC000376046840 563427873 /nfs/dbraw/zinc/42/78/73/563427873.db2.gz KKANOYGWHIIAGC-GJYTXDDASA-N 1 0 379.345 2.695 20 0 GFADRO O=S(=O)(c1ccc(OC(F)F)c(F)c1)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000376122946 563430733 /nfs/dbraw/zinc/43/07/33/563430733.db2.gz NKGYTBZHQLTFDU-BXUZGUMPSA-N 1 0 378.416 2.580 20 0 GFADRO C[C@@H](N[C@H](C[NH+](C)C)c1ccc(Cl)cc1)c1cccc(S(N)(=O)=O)c1 ZINC000282951966 563431098 /nfs/dbraw/zinc/43/10/98/563431098.db2.gz CAPNEDPCQVQLDW-FZKQIMNGSA-N 1 0 381.929 2.941 20 0 GFADRO CC[NH+]1CCN(CCCNC(=O)c2c(C)c(C)sc2Br)CC1 ZINC000282998750 563432314 /nfs/dbraw/zinc/43/23/14/563432314.db2.gz LYYHVCKOYZSLGL-UHFFFAOYSA-N 1 0 388.375 2.885 20 0 GFADRO C[C@H]1C[N@H+](Cc2ccccc2)CCN1c1ncc(I)cn1 ZINC000307592798 563433565 /nfs/dbraw/zinc/43/35/65/563433565.db2.gz FZNSTAZMRREVED-ZDUSSCGKSA-N 1 0 394.260 2.792 20 0 GFADRO C[NH+](C)CC(C)(C)CNC(=O)C(=O)Nc1cccc(Br)c1Cl ZINC000283123749 563435827 /nfs/dbraw/zinc/43/58/27/563435827.db2.gz CABPLVMGRWMMSI-UHFFFAOYSA-N 1 0 390.709 2.745 20 0 GFADRO COC(=O)C[C@@H](NC(=O)C[C@@H]1CCC[NH2+]CC1)c1ccc(Br)cc1 ZINC000376333672 563438103 /nfs/dbraw/zinc/43/81/03/563438103.db2.gz NSKNGJWYPNBJNK-CZUORRHYSA-N 1 0 397.313 2.949 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)cc1Br ZINC000425816650 563438583 /nfs/dbraw/zinc/43/85/83/563438583.db2.gz GGYQODGXMINMIS-XJKSGUPXSA-N 1 0 394.313 2.557 20 0 GFADRO CCN1CC[C@H](NS(=O)(=O)CCCCF)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000376344575 563438784 /nfs/dbraw/zinc/43/87/84/563438784.db2.gz SFBQMADKVFKRQH-GOEBONIOSA-N 1 0 382.423 2.908 20 0 GFADRO O=S(=O)(c1ccc(F)cc1Br)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000314768512 563440261 /nfs/dbraw/zinc/44/02/61/563440261.db2.gz RUTAAIGOPJEMBY-RISCZKNCSA-N 1 0 391.306 2.741 20 0 GFADRO C[NH+]1CCN([C@H]2CCCCN(c3nc(C(Cl)(Cl)Cl)ns3)C2)CC1 ZINC000376405239 563441167 /nfs/dbraw/zinc/44/11/67/563441167.db2.gz COQSJHAELXDEEF-NSHDSACASA-N 1 0 398.791 2.971 20 0 GFADRO CC[N@H+](CCNC(=O)NCc1nnc(C(C)(C)C)s1)CCC(F)(F)F ZINC000425979627 563441221 /nfs/dbraw/zinc/44/12/21/563441221.db2.gz UFBUMUGDNATCHW-UHFFFAOYSA-N 1 0 381.468 2.909 20 0 GFADRO Cc1cc(NC(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)cc(C)c1Br ZINC000426105405 563443444 /nfs/dbraw/zinc/44/34/44/563443444.db2.gz UULAISQWLYRFQK-GJZGRUSLSA-N 1 0 394.313 2.747 20 0 GFADRO Cc1cc(NC(=O)C(=O)N[C@H]2CCC[N@H+](C)[C@@H]2C)cc(C)c1Br ZINC000426175843 563445830 /nfs/dbraw/zinc/44/58/30/563445830.db2.gz JQXCZNOPZPTAKF-OCCSQVGLSA-N 1 0 382.302 2.603 20 0 GFADRO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)N1CCOc2ccc(Br)cc2C1 ZINC000283558628 563448021 /nfs/dbraw/zinc/44/80/21/563448021.db2.gz INVAXEQOMXUTEX-CYBMUJFWSA-N 1 0 394.313 2.837 20 0 GFADRO O=C(N[C@H]1CCN(c2ccccc2Br)C1)[C@H]1CCC[N@@H+]1C1CC1 ZINC000426310385 563448437 /nfs/dbraw/zinc/44/84/37/563448437.db2.gz KIDPNTGPGNUKHF-SUMWQHHRSA-N 1 0 378.314 2.771 20 0 GFADRO CCC[NH+]1CCC(NC(=O)C(=O)Nc2cc(C)c(Br)c(C)c2)CC1 ZINC000426305350 563448490 /nfs/dbraw/zinc/44/84/90/563448490.db2.gz CCZXRISHQRDMPP-UHFFFAOYSA-N 1 0 396.329 2.995 20 0 GFADRO O=C(NCCCN1CC[NH2+]CC1)c1ccc2cc(Br)ccc2c1 ZINC000322673461 563450161 /nfs/dbraw/zinc/45/01/61/563450161.db2.gz FCXOHPVQINHFJK-UHFFFAOYSA-N 1 0 376.298 2.627 20 0 GFADRO Cc1sc(Br)cc1S(=O)(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000322839174 563450687 /nfs/dbraw/zinc/45/06/87/563450687.db2.gz JFAGOAIDQOKFJG-FGWVZKOKSA-N 1 0 379.345 2.723 20 0 GFADRO CC(C)[NH+]1CCN(C(=O)N[C@H]2CCN(c3cccc(Br)c3)C2)CC1 ZINC000426441245 563450882 /nfs/dbraw/zinc/45/08/82/563450882.db2.gz WQSUCOJFUZJPHO-INIZCTEOSA-N 1 0 395.345 2.763 20 0 GFADRO O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000326729143 563455750 /nfs/dbraw/zinc/45/57/50/563455750.db2.gz DQUPPXPKHULRTG-DOMZBBRYSA-N 1 0 378.416 2.738 20 0 GFADRO [NH3+]C[C@@H]1Cc2ccccc2N(S(=O)(=O)c2ccc(F)cc2Br)C1 ZINC000328498461 563461003 /nfs/dbraw/zinc/46/10/03/563461003.db2.gz RVNBDFNBVDOOJI-NSHDSACASA-N 1 0 399.285 2.915 20 0 GFADRO O=C(NCCCn1cc(Br)cn1)N1CCC[C@H]([NH+]2CCCCC2)C1 ZINC000377058641 563461948 /nfs/dbraw/zinc/46/19/48/563461948.db2.gz WXWLVCZDKPQCHT-INIZCTEOSA-N 1 0 398.349 2.696 20 0 GFADRO [NH3+]C[C@@H]1CCN(C(=O)[C@@H]2CCCN2c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000377126338 563464125 /nfs/dbraw/zinc/46/41/25/563464125.db2.gz KFBJBPOXTMVGQM-GWCFXTLKSA-N 1 0 376.810 2.530 20 0 GFADRO COc1cc(C[NH2+]CCC2(O)CCC2)cc(I)c1OC ZINC000284201894 563467691 /nfs/dbraw/zinc/46/76/91/563467691.db2.gz ZABQGXWGQSBUES-UHFFFAOYSA-N 1 0 391.249 2.703 20 0 GFADRO Cc1c2cc(Br)cc(C)c2oc1C(=O)NC[C@](C)(O)C[NH+](C)C ZINC000427655888 563471424 /nfs/dbraw/zinc/47/14/24/563471424.db2.gz UFKMSHCGBHPTRP-KRWDZBQOSA-N 1 0 383.286 2.855 20 0 GFADRO COC(=O)c1cn(CC[NH2+][C@@H](c2ccc(Br)s2)C2CC2)nn1 ZINC000284395974 563472788 /nfs/dbraw/zinc/47/27/88/563472788.db2.gz PKZYDHFPGKISGR-CYBMUJFWSA-N 1 0 385.287 2.630 20 0 GFADRO Clc1cc(Cl)c2c(c1)C=C(CN1CCO[C@@H](Cn3cncn3)C1)CO2 ZINC000329195805 563474709 /nfs/dbraw/zinc/47/47/09/563474709.db2.gz ULECENGGMXDKGS-OAHLLOKOSA-N 1 0 381.263 2.762 20 0 GFADRO COc1ccc(Br)cc1CNC(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000377474455 563476962 /nfs/dbraw/zinc/47/69/62/563476962.db2.gz BLVBJTQJWBLPCC-HUUCEWRRSA-N 1 0 382.302 2.884 20 0 GFADRO C[NH+](C)CCN1CCCN(C(=O)[C@@H]2C[C@H]2c2cccc(Br)c2)CC1 ZINC000377538082 563478296 /nfs/dbraw/zinc/47/82/96/563478296.db2.gz RWLANVANVDSMTH-ZWKOTPCHSA-N 1 0 394.357 2.649 20 0 GFADRO O=S(=O)(c1cccs1)N1CCC([NH2+]C[C@H]2COc3ccccc32)CC1 ZINC000377566868 563479041 /nfs/dbraw/zinc/47/90/41/563479041.db2.gz VPZYQFDRJOXISR-AWEZNQCLSA-N 1 0 378.519 2.667 20 0 GFADRO OC[C@@H]1C[C@H](O)C[N@@H+]1[C@H](Cc1ccccn1)c1ccc(Br)cc1 ZINC000377614622 563481046 /nfs/dbraw/zinc/48/10/46/563481046.db2.gz JFSCYUJICQYQRS-OKZBNKHCSA-N 1 0 377.282 2.555 20 0 GFADRO O=C1NC[C@@H]2C[N@H+](Cc3ncc(-c4ccccc4Br)o3)CC[C@H]12 ZINC000377642335 563481351 /nfs/dbraw/zinc/48/13/51/563481351.db2.gz AYGDCHMIRPLQFU-NEPJUHHUSA-N 1 0 376.254 2.672 20 0 GFADRO O=C(c1ccc(Oc2ccncc2)c(Cl)c1)N1CCCS(=O)(=O)CC1 ZINC000377670607 563482623 /nfs/dbraw/zinc/48/26/23/563482623.db2.gz RFZQUCYCDWOTCM-UHFFFAOYSA-N 1 0 380.853 2.788 20 0 GFADRO Cc1noc(C)c1S(=O)(=O)NC[C@@H]1CC[N@@H+](C)[C@H]1c1cccc(Cl)c1 ZINC000377741791 563484667 /nfs/dbraw/zinc/48/46/67/563484667.db2.gz KFUGMURKWVRBQA-HOCLYGCPSA-N 1 0 383.901 2.916 20 0 GFADRO C[C@H]([NH2+][C@@H]1CC(=O)N(C)[C@H]1c1ccnn1C)c1cccc(Br)c1 ZINC000284716947 563487580 /nfs/dbraw/zinc/48/75/80/563487580.db2.gz CDANNOKHQVHKTO-FABXCBLPSA-N 1 0 377.286 2.805 20 0 GFADRO NC(=O)c1ncc(Br)cc1N1CCCN(Cc2cscn2)CC1 ZINC000329965734 563492668 /nfs/dbraw/zinc/49/26/68/563492668.db2.gz VGHAPDNJNUOIDE-UHFFFAOYSA-N 1 0 396.314 2.896 20 0 GFADRO Cc1[nH]nc2ncc(C[NH2+]C[C@@H](CO)Cc3ccccc3Br)cc12 ZINC000428534254 563494441 /nfs/dbraw/zinc/49/44/41/563494441.db2.gz FVKWJGQTRBQRHH-AWEZNQCLSA-N 1 0 389.297 2.970 20 0 GFADRO Cn1cncc1CNC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000378051282 563494460 /nfs/dbraw/zinc/49/44/60/563494460.db2.gz RAYACEDXHDAQGE-BLLLJJGKSA-N 1 0 381.263 2.563 20 0 GFADRO CC(C)(C)n1cc(C[NH2+]C[C@@H](CO)Cc2cccc(Br)c2)nn1 ZINC000428545052 563495505 /nfs/dbraw/zinc/49/55/05/563495505.db2.gz JYDIWXSTOKGXJF-AWEZNQCLSA-N 1 0 381.318 2.736 20 0 GFADRO O=C(c1cc2c(c(Br)c1)OCO2)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000378225429 563499232 /nfs/dbraw/zinc/49/92/32/563499232.db2.gz JXBRQCOUAOLCOV-FZMZJTMJSA-N 1 0 381.270 2.782 20 0 GFADRO Cc1nnc(COCC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)s1 ZINC000285030279 563499321 /nfs/dbraw/zinc/49/93/21/563499321.db2.gz BHJXBOUEQDUERS-UHFFFAOYSA-N 1 0 378.523 2.551 20 0 GFADRO OC[C@@H]1CCC[N@@H+]1C[C@@H]1CCCN1Cc1cnc2ccc(Br)cn12 ZINC000378330586 563503033 /nfs/dbraw/zinc/50/30/33/563503033.db2.gz BLXIROYLWXMQDK-HOTGVXAUSA-N 1 0 393.329 2.518 20 0 GFADRO Cc1cc(Br)oc1C(=O)N1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000378371768 563504557 /nfs/dbraw/zinc/50/45/57/563504557.db2.gz SBECEGNIYLCIDG-ZDUSSCGKSA-N 1 0 384.318 2.591 20 0 GFADRO C[NH+](C)CCN1CCCN(C(=O)C[C@H](O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000378402034 563505120 /nfs/dbraw/zinc/50/51/20/563505120.db2.gz VSISPRDGMYYJPO-KRWDZBQOSA-N 1 0 388.339 2.513 20 0 GFADRO C[C@@H](NC(=O)c1cc(=O)[nH]c2ccc(Br)cc21)[C@H]1CCC[NH2+]C1 ZINC000429008474 563507211 /nfs/dbraw/zinc/50/72/11/563507211.db2.gz NNAXZRANPSYPJQ-MNOVXSKESA-N 1 0 378.270 2.821 20 0 GFADRO COc1ccc(Br)cc1S(=O)(=O)NCC[N@@H+]1CCCC[C@H]1C ZINC000330496446 563508032 /nfs/dbraw/zinc/50/80/32/563508032.db2.gz YBDFADCKLMEXEG-GFCCVEGCSA-N 1 0 391.331 2.610 20 0 GFADRO O=C(COc1c(Cl)cccc1Cl)Nc1ccc(N2CC[NH2+]CC2)cn1 ZINC000429036667 563508422 /nfs/dbraw/zinc/50/84/22/563508422.db2.gz UBCPFHMMFWKEHU-UHFFFAOYSA-N 1 0 381.263 2.816 20 0 GFADRO C[N@@H+]1CC[C@H]2CCN(C(=O)c3csc(I)c3)[C@H]2C1 ZINC000378489974 563508943 /nfs/dbraw/zinc/50/89/43/563508943.db2.gz BYMCSZBPEHEYLA-ONGXEEELSA-N 1 0 376.263 2.519 20 0 GFADRO Cc1cc(Br)cn2cc(CC[NH2+][C@@H](C)C(C)(C)n3cncn3)nc12 ZINC000285243016 563510535 /nfs/dbraw/zinc/51/05/35/563510535.db2.gz PRXHYNMVPBKZBW-ZDUSSCGKSA-N 1 0 391.317 2.953 20 0 GFADRO CCOc1cc(Br)c(CC(=O)N2CC[C@@H]([NH3+])[C@@H](C)C2)cc1OCC ZINC000429156454 563510651 /nfs/dbraw/zinc/51/06/51/563510651.db2.gz FHOOUWWBJWLLPE-SWLSCSKDSA-N 1 0 399.329 2.985 20 0 GFADRO C[C@H](NC(=O)N1CCC(n2cc(Br)cn2)CC1)C1=CC[N@H+](C)CC1 ZINC000378562169 563511642 /nfs/dbraw/zinc/51/16/42/563511642.db2.gz DZGWGNIMMRKXFT-ZDUSSCGKSA-N 1 0 396.333 2.643 20 0 GFADRO COCC[C@H](Cc1cccc(Br)c1)C(=O)N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000429177792 563511816 /nfs/dbraw/zinc/51/18/16/563511816.db2.gz CVNNZCHEBPHHJR-UNEWFSDZSA-N 1 0 383.330 2.840 20 0 GFADRO CCCNC(=O)NC(=O)C[NH2+]C(C)(C)Cc1ccc(Br)c(C)c1 ZINC000429225905 563512243 /nfs/dbraw/zinc/51/22/43/563512243.db2.gz IHUREKAZMMFFKZ-UHFFFAOYSA-N 1 0 384.318 2.904 20 0 GFADRO CC[NH+]1CCC(N(C(=O)c2ccc(OC)c(Br)n2)C2CC2)CC1 ZINC000378613171 563512258 /nfs/dbraw/zinc/51/22/58/563512258.db2.gz WMLAXHGAPAAGDY-UHFFFAOYSA-N 1 0 382.302 2.942 20 0 GFADRO O=S(=O)(CC[NH2+][C@H]1Cc2cccc(O)c2C1)c1cccc(Br)c1 ZINC000429262966 563513168 /nfs/dbraw/zinc/51/31/68/563513168.db2.gz WSNCGVDLKSJPKC-AWEZNQCLSA-N 1 0 396.306 2.685 20 0 GFADRO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)CN1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000330603430 563513257 /nfs/dbraw/zinc/51/32/57/563513257.db2.gz XJMKCPMSPNVXAQ-QWRGUYRKSA-N 1 0 388.295 2.743 20 0 GFADRO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)CN1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000330603428 563513377 /nfs/dbraw/zinc/51/33/77/563513377.db2.gz XJMKCPMSPNVXAQ-GHMZBOCLSA-N 1 0 388.295 2.743 20 0 GFADRO Brc1ccc(CN2CC[NH+]([C@@H]3CCOC3)CC2)c2ncccc12 ZINC000378648784 563513811 /nfs/dbraw/zinc/51/38/11/563513811.db2.gz JGEUJDRIFBHUTI-OAHLLOKOSA-N 1 0 376.298 2.904 20 0 GFADRO CCS(=O)(=O)NCC[NH2+][C@@H]1c2cc(Br)ccc2CC1(C)C ZINC000429310183 563513990 /nfs/dbraw/zinc/51/39/90/563513990.db2.gz SZDRZQZXHJUCDU-CQSZACIVSA-N 1 0 375.332 2.601 20 0 GFADRO O=S(=O)(c1c(Cl)cccc1Br)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000386336057 563518543 /nfs/dbraw/zinc/51/85/43/563518543.db2.gz ISTWKQKMPONALW-PHIMTYICSA-N 1 0 393.734 2.723 20 0 GFADRO COc1cc(C)c(Br)cc1C(=O)NCC1([NH+](C)C)CCOCC1 ZINC000285398140 563518910 /nfs/dbraw/zinc/51/89/10/563518910.db2.gz FAPZNHZNSHORLO-UHFFFAOYSA-N 1 0 385.302 2.607 20 0 GFADRO O=C(C[C@H]1C[NH2+]CCO1)Nc1nc(-c2ccc(Br)cc2)cs1 ZINC000429737841 563520905 /nfs/dbraw/zinc/52/09/05/563520905.db2.gz MXMHZPNVJWZQIL-LBPRGKRZSA-N 1 0 382.283 2.890 20 0 GFADRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1S(=O)(=O)c1sccc1Br ZINC000285449267 563521594 /nfs/dbraw/zinc/52/15/94/563521594.db2.gz YIQBMDVFMFLTOW-WDEREUQCSA-N 1 0 379.345 2.758 20 0 GFADRO O=C(NC[C@@H]1C[NH2+]CCCO1)c1ccc(Br)c(C(F)(F)F)c1 ZINC000389728111 563521995 /nfs/dbraw/zinc/52/19/95/563521995.db2.gz QARQCSQHHMWLNW-JTQLQIEISA-N 1 0 381.192 2.576 20 0 GFADRO CC(C)[C@@H](CNS(=O)(=O)c1cc(Cl)ccc1Cl)N1CC[NH+](C)CC1 ZINC000330812334 563522239 /nfs/dbraw/zinc/52/22/39/563522239.db2.gz PBNLRPOUOWZJMK-OAHLLOKOSA-N 1 0 394.368 2.544 20 0 GFADRO CC(=O)Nc1ccc(S(=O)(=O)N2CCC(CC[NH+](C)C)CC2)cc1Cl ZINC000330853599 563523736 /nfs/dbraw/zinc/52/37/36/563523736.db2.gz OJDZLTHLZAISPH-UHFFFAOYSA-N 1 0 387.933 2.651 20 0 GFADRO C[C@@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH2+][C@H]1CC(=O)N(C)C1 ZINC000285532541 563525214 /nfs/dbraw/zinc/52/52/14/563525214.db2.gz SKHNXBQAWNAUEY-ONGXEEELSA-N 1 0 377.794 2.896 20 0 GFADRO N#Cc1ccccc1OC[C@H](O)C[NH2+]CCc1ccc(Br)cc1 ZINC000391796886 563525564 /nfs/dbraw/zinc/52/55/64/563525564.db2.gz DCJQYWOXISMYMR-QGZVFWFLSA-N 1 0 375.266 2.893 20 0 GFADRO C[C@@](CO)([NH2+]CC(=O)NCc1ccccc1)c1ccc(Br)cc1 ZINC000285575025 563527072 /nfs/dbraw/zinc/52/70/72/563527072.db2.gz WMVIAWNLWDJOIU-SFHVURJKSA-N 1 0 377.282 2.563 20 0 GFADRO CC(=O)N[C@H](CC(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(Br)cc1 ZINC000330917531 563527550 /nfs/dbraw/zinc/52/75/50/563527550.db2.gz WHZPKXJNMJIPGM-JCURWCKSSA-N 1 0 396.329 2.615 20 0 GFADRO C[C@@H]([NH2+]CC1(S(C)(=O)=O)CCCC1)c1cc(Br)ncc1F ZINC000285584601 563528092 /nfs/dbraw/zinc/52/80/92/563528092.db2.gz HMBVGKJMQOIOFC-SNVBAGLBSA-N 1 0 379.295 2.991 20 0 GFADRO CS(=O)(=O)C1(C[NH2+]Cc2cc3c(c(Br)c2)OCO3)CCCC1 ZINC000285613861 563528771 /nfs/dbraw/zinc/52/87/71/563528771.db2.gz XPFAUDUEECLKGB-UHFFFAOYSA-N 1 0 390.299 2.625 20 0 GFADRO [NH3+]CCCN(Cc1ccccc1)S(=O)(=O)c1cccc(Br)c1 ZINC000393949053 563529162 /nfs/dbraw/zinc/52/91/62/563529162.db2.gz UEEQPBRZYOUYHG-UHFFFAOYSA-N 1 0 383.311 2.989 20 0 GFADRO CC[C@H]1C[C@@H](C)C[N@@H+]1CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000330960763 563529280 /nfs/dbraw/zinc/52/92/80/563529280.db2.gz XRUDRQWEDSZVIT-OCCSQVGLSA-N 1 0 387.933 2.649 20 0 GFADRO OCCC[NH2+]Cc1cc(I)c(Br)cc1F ZINC000393645196 563529602 /nfs/dbraw/zinc/52/96/02/563529602.db2.gz GAOSSWAMGNYERP-UHFFFAOYSA-N 1 0 388.018 2.665 20 0 GFADRO O=S1(=O)CCC[C@@H]1C[NH2+]Cc1cc(Br)cc(Br)c1 ZINC000394582991 563530164 /nfs/dbraw/zinc/53/01/64/563530164.db2.gz VIIHHXUWARICSK-GFCCVEGCSA-N 1 0 397.132 2.878 20 0 GFADRO O=C(NCC1(c2ccc(Br)cc2)CCCCC1)[C@@H]1C[NH2+]CCO1 ZINC000429991728 563530744 /nfs/dbraw/zinc/53/07/44/563530744.db2.gz PLNKLZHVCUEKMS-INIZCTEOSA-N 1 0 381.314 2.756 20 0 GFADRO C[C@H](NC(=O)CN1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C)c1ccc(Br)cc1 ZINC000397308388 563531583 /nfs/dbraw/zinc/53/15/83/563531583.db2.gz HVBVPXFEHCIHPD-FQLMCAECSA-N 1 0 382.346 2.932 20 0 GFADRO CS(=O)(=O)N[C@@H]1CCC[C@@H]1C[NH2+]Cc1cc(Cl)ccc1OCC1CC1 ZINC000430025495 563531575 /nfs/dbraw/zinc/53/15/75/563531575.db2.gz JIXIOSMNTVEQNT-RHSMWYFYSA-N 1 0 386.945 2.936 20 0 GFADRO C[C@@H]1C[C@H](C)N(S(=O)(=O)c2ccc(Br)cc2F)C[C@H]1C[NH3+] ZINC000397335076 563531871 /nfs/dbraw/zinc/53/18/71/563531871.db2.gz XZZXJORSNQBGAJ-OUAUKWLOSA-N 1 0 379.295 2.582 20 0 GFADRO CCN(C(=O)[C@@H]1C[NH2+]CCO1)[C@H]1CCSc2ccc(Br)cc21 ZINC000430107364 563533315 /nfs/dbraw/zinc/53/33/15/563533315.db2.gz SVMIVCCCPSJBND-KBPBESRZSA-N 1 0 385.327 2.823 20 0 GFADRO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NC[C@@H](CO)Cc1cccc(Br)c1 ZINC000430120842 563533949 /nfs/dbraw/zinc/53/39/49/563533949.db2.gz KRTHBNRQVULCFQ-LZWOXQAQSA-N 1 0 383.330 2.589 20 0 GFADRO C[C@@H]([NH2+][C@@H]1CCN(S(C)(=O)=O)C1)c1cc2cc(Br)ccc2o1 ZINC000400102163 563534287 /nfs/dbraw/zinc/53/42/87/563534287.db2.gz BAVGICYPAQXACF-ZWNOBZJWSA-N 1 0 387.299 2.880 20 0 GFADRO C[NH+](C)[C@H]1CCC[C@H](NS(=O)(=O)c2ccc(OCC(F)(F)F)cc2)C1 ZINC000331100899 563535063 /nfs/dbraw/zinc/53/50/63/563535063.db2.gz FTZFFGKEQMDTIB-STQMWFEESA-N 1 0 380.432 2.779 20 0 GFADRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1cc(Br)c2c(c1)OCCO2 ZINC000285778875 563536854 /nfs/dbraw/zinc/53/68/54/563536854.db2.gz LOBAYVXDQLLPNN-GXTWGEPZSA-N 1 0 395.297 2.919 20 0 GFADRO C[C@@]1(CO)CCC[C@H]1[NH2+]CC(=O)Nc1c(F)cc(F)cc1Br ZINC000331144907 563537022 /nfs/dbraw/zinc/53/70/22/563537022.db2.gz GUYKLIZMZMWDDQ-DOMZBBRYSA-N 1 0 377.229 2.807 20 0 GFADRO CC[C@H](C(=O)NC[C@@H](CO)Cc1ccccc1Br)[NH+](CC)CC ZINC000430177918 563537823 /nfs/dbraw/zinc/53/78/23/563537823.db2.gz KWPCDLNULAHSPP-WMLDXEAASA-N 1 0 385.346 2.837 20 0 GFADRO Cc1ccc(S(=O)(=O)N2CCC[C@@H](C)[C@@H]2CC[NH3+])c(Br)c1 ZINC000405235584 563538729 /nfs/dbraw/zinc/53/87/29/563538729.db2.gz DIVHJSNGZYFTIH-OCCSQVGLSA-N 1 0 375.332 2.896 20 0 GFADRO CNC(=O)[C@]1(C)CC[N@H+](CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000430286514 563540146 /nfs/dbraw/zinc/54/01/46/563540146.db2.gz UOIANTQMTDJPCK-OAHLLOKOSA-N 1 0 377.794 2.755 20 0 GFADRO COCC[C@@]1(C(=O)NCc2ccc(Br)cc2Cl)CC[NH2+]C1 ZINC000430284330 563540551 /nfs/dbraw/zinc/54/05/51/563540551.db2.gz LVDXDABVOUSLGV-HNNXBMFYSA-N 1 0 375.694 2.735 20 0 GFADRO C[NH+](C)[C@H]1CCCN(C(=O)c2ccc(I)c(O)c2)CC1 ZINC000430426945 563543247 /nfs/dbraw/zinc/54/32/47/563543247.db2.gz NETSPFOLESQGPX-LBPRGKRZSA-N 1 0 388.249 2.553 20 0 GFADRO COC(=O)c1csc([C@@H](C)[NH2+]CCN(C)S(=O)(=O)c2cccs2)c1 ZINC000286037750 563546316 /nfs/dbraw/zinc/54/63/16/563546316.db2.gz JNLRYNKKEOAUBD-LLVKDONJSA-N 1 0 388.536 2.568 20 0 GFADRO COc1cc(Cl)c(S(=O)(=O)NCC[N@@H+]2CCCC[C@@H]2C)cc1OC ZINC000331341462 563546364 /nfs/dbraw/zinc/54/63/64/563546364.db2.gz XVGGSMIPYUXRSB-LBPRGKRZSA-N 1 0 376.906 2.510 20 0 GFADRO C[C@H](C(=O)NC[C@H]1CCCC[N@@H+]1CCO)c1ccc(Br)s1 ZINC000331344045 563546551 /nfs/dbraw/zinc/54/65/51/563546551.db2.gz UMKDWYMYKSDVFT-NWDGAFQWSA-N 1 0 375.332 2.577 20 0 GFADRO C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)c1cc(F)c(F)cc1I ZINC000286053807 563547192 /nfs/dbraw/zinc/54/71/92/563547192.db2.gz LLGIOXJCULBFHL-OTPXZMOZSA-N 1 0 394.203 2.686 20 0 GFADRO CC[NH+]1CCN(CCNc2ccc(Br)c(C(F)(F)F)n2)CC1 ZINC000286070662 563547731 /nfs/dbraw/zinc/54/77/31/563547731.db2.gz JCSAHCOUZYUBHU-UHFFFAOYSA-N 1 0 381.240 2.912 20 0 GFADRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)c2nc3ccc(Br)cn3n2)C1 ZINC000331434387 563549205 /nfs/dbraw/zinc/54/92/05/563549205.db2.gz QULIUPBPUGCNTG-STQMWFEESA-N 1 0 394.317 2.590 20 0 GFADRO COC(=O)c1sccc1S(=O)(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000331552480 563552794 /nfs/dbraw/zinc/55/27/94/563552794.db2.gz PMKXIQRGGFWODP-AWEZNQCLSA-N 1 0 386.539 2.610 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S(=O)(=O)CC[NH2+][C@@H]1CCC[C@@H]1CC ZINC000286283113 563554980 /nfs/dbraw/zinc/55/49/80/563554980.db2.gz UQVNTHYVQSZLDN-JKSUJKDBSA-N 1 0 387.567 2.812 20 0 GFADRO C[C@@H]1CC[NH2+][C@@H](C)[C@H]1NC(=O)Cc1csc(NC(=O)c2cccs2)n1 ZINC000286315687 563555691 /nfs/dbraw/zinc/55/56/91/563555691.db2.gz YEWVQVKETIGBPC-ZETOZRRWSA-N 1 0 378.523 2.502 20 0 GFADRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)Nc1cc(Br)cnc1-n1cccn1 ZINC000408444298 563556280 /nfs/dbraw/zinc/55/62/80/563556280.db2.gz RXEHEDQGHAXAIN-VXGBXAGGSA-N 1 0 393.289 2.586 20 0 GFADRO CC(C)Oc1cc(Br)cc(C(=O)NC[C@](C)(O)CC[NH+](C)C)c1 ZINC000431393443 563559725 /nfs/dbraw/zinc/55/97/25/563559725.db2.gz UBOKXJZEXAEPKG-QGZVFWFLSA-N 1 0 387.318 2.669 20 0 GFADRO CC(C)[NH2+]C1CCN(C(=O)C(=O)N[C@@H](C)c2ccc(Br)cc2)CC1 ZINC000286491305 563562005 /nfs/dbraw/zinc/56/20/05/563562005.db2.gz MNFWWTNOGYQASE-ZDUSSCGKSA-N 1 0 396.329 2.615 20 0 GFADRO CC(=O)Nc1ccc(S(=O)(=O)N2CC[C@H]([NH+]3CCCC3)[C@H]2C)cc1Cl ZINC000286538891 563564493 /nfs/dbraw/zinc/56/44/93/563564493.db2.gz BYRIOIHPHCIXII-PXAZEXFGSA-N 1 0 385.917 2.546 20 0 GFADRO COCCN(CC[NH+](C)C)C(=O)c1cn(-c2ccc(Cl)c(Cl)c2)cn1 ZINC000431646796 563566290 /nfs/dbraw/zinc/56/62/90/563566290.db2.gz YQZYWNSQHPKAGM-UHFFFAOYSA-N 1 0 385.295 2.829 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccn(-c2ccc(Br)cc2)n1 ZINC000431677230 563566305 /nfs/dbraw/zinc/56/63/05/563566305.db2.gz UNDYSPZWCHVTPA-HNNXBMFYSA-N 1 0 377.286 2.849 20 0 GFADRO C[C@@H](NC(=O)c1ccc(Br)cc1)C(=O)N1CCC[C@@H]([NH+](C)C)CC1 ZINC000331994983 563570343 /nfs/dbraw/zinc/57/03/43/563570343.db2.gz NATUUYSPJLTPSS-CZUORRHYSA-N 1 0 396.329 2.510 20 0 GFADRO C[C@H](NC(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1)c1ncc(Br)cn1 ZINC000431986202 563572673 /nfs/dbraw/zinc/57/26/73/563572673.db2.gz KQKPOFNBFWWXPY-WFASDCNBSA-N 1 0 396.333 2.864 20 0 GFADRO CS[C@H]1CN(C(=O)[C@H](C)Oc2ccc(Br)cc2)C[C@@H]1[NH+](C)C ZINC000409886663 563573440 /nfs/dbraw/zinc/57/34/40/563573440.db2.gz KWBADXPABDFMRN-CQDKDKBSSA-N 1 0 387.343 2.720 20 0 GFADRO C[C@H](CO)[N@@H+]1CCCN(C(=O)C(C)(C)c2ccccc2Br)CC1 ZINC000409973553 563576529 /nfs/dbraw/zinc/57/65/29/563576529.db2.gz GIDWSFMTELASSR-CQSZACIVSA-N 1 0 383.330 2.642 20 0 GFADRO CC[C@@H](Cc1ccccc1Br)C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000286852045 563577731 /nfs/dbraw/zinc/57/77/31/563577731.db2.gz XAMPWTSZLBEFPH-RDJZCZTQSA-N 1 0 394.357 2.524 20 0 GFADRO C[C@@H]1C[C@@H](C)[C@H](C(=O)Nc2cc(Br)ccc2N2CC[NH+](C)CC2)O1 ZINC000409995200 563577968 /nfs/dbraw/zinc/57/79/68/563577968.db2.gz WREPIRHRIJDICB-PBFPGSCMSA-N 1 0 396.329 2.953 20 0 GFADRO NC(=O)[C@@H]1CCCN(C(=O)C[NH2+][C@@H]2CCOc3c(Br)cccc32)C1 ZINC000332132812 563578311 /nfs/dbraw/zinc/57/83/11/563578311.db2.gz IJRSVWWGXZFIOO-BXUZGUMPSA-N 1 0 396.285 2.636 20 0 GFADRO CSc1cc2c(cc1NC(=O)N1C[C@H](SC)[C@@H]([NH+](C)C)C1)OCCO2 ZINC000332141534 563578856 /nfs/dbraw/zinc/57/88/56/563578856.db2.gz JJIDSSJXOSXLCH-LRDDRELGSA-N 1 0 383.539 2.689 20 0 GFADRO COC(=O)c1cc(S(=O)(=O)NC2CC[NH+](C3CCCCC3)CC2)cs1 ZINC000332160775 563580582 /nfs/dbraw/zinc/58/05/82/563580582.db2.gz QOYGBYMVVHNPBO-UHFFFAOYSA-N 1 0 386.539 2.610 20 0 GFADRO O=C(NCC[N@@H+]1CCCOCC1)Nc1cccc2cc(Br)cnc21 ZINC000286950961 563580978 /nfs/dbraw/zinc/58/09/78/563580978.db2.gz APWPOVRJIGRPAM-UHFFFAOYSA-N 1 0 393.285 2.841 20 0 GFADRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)Nc3ccccc3I)C[C@H]21 ZINC000332221881 563584627 /nfs/dbraw/zinc/58/46/27/563584627.db2.gz MBJSRADISSRKTI-DMDPSCGWSA-N 1 0 385.249 2.882 20 0 GFADRO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)N1CCC(n2cc(Br)cn2)CC1 ZINC000332287516 563590267 /nfs/dbraw/zinc/59/02/67/563590267.db2.gz IVSDFBPLAWHRED-DOMZBBRYSA-N 1 0 384.322 2.510 20 0 GFADRO CN1CC[C@H]([NH+]2CCC(NC(=O)c3cc(F)c(Cl)cc3Cl)CC2)C1=O ZINC000332297158 563591064 /nfs/dbraw/zinc/59/10/64/563591064.db2.gz KTSVMJOWILBCAM-HNNXBMFYSA-N 1 0 388.270 2.557 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)N1CC[C@@H](C(F)(F)F)[C@H](CO)C1)c1ccsc1 ZINC000287302254 563595858 /nfs/dbraw/zinc/59/58/58/563595858.db2.gz WHPJFGHSILQSER-BFHYXJOUSA-N 1 0 379.448 2.553 20 0 GFADRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2nn(C)cc2Br)C1 ZINC000432882157 563595903 /nfs/dbraw/zinc/59/59/03/563595903.db2.gz WQSBQEQLAKKISM-JSGCOSHPSA-N 1 0 377.286 2.748 20 0 GFADRO CNC(=O)c1cccc(NC(=O)NC[C@@H](C)C[NH+]2CCCC2)c1Br ZINC000287325074 563597042 /nfs/dbraw/zinc/59/70/42/563597042.db2.gz HQMIWTSJFIKRIY-GFCCVEGCSA-N 1 0 397.317 2.662 20 0 GFADRO CNC(=O)c1cccc(NC(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1Br ZINC000287369286 563598732 /nfs/dbraw/zinc/59/87/32/563598732.db2.gz KNCNUYXDNPTLAH-NWDGAFQWSA-N 1 0 397.317 2.755 20 0 GFADRO OCC[NH+]1CCN(c2cc(C3CC3)nc3c(Br)cccc23)CC1 ZINC000433030912 563601206 /nfs/dbraw/zinc/60/12/06/563601206.db2.gz XNDVUNFAXPHBPX-UHFFFAOYSA-N 1 0 376.298 2.989 20 0 GFADRO C[N@H+](CCOc1ccc(S(N)(=O)=O)cc1)[C@@H]1CCc2ccc(Cl)cc21 ZINC000433054383 563601670 /nfs/dbraw/zinc/60/16/70/563601670.db2.gz SKOVGWQUQOXMNC-GOSISDBHSA-N 1 0 380.897 2.986 20 0 GFADRO C[N@H+](CCOc1ccc(S(N)(=O)=O)cc1)[C@@H]1CCc2c1cccc2Cl ZINC000433059170 563602131 /nfs/dbraw/zinc/60/21/31/563602131.db2.gz MPTJMRGEHZJJGX-GOSISDBHSA-N 1 0 380.897 2.986 20 0 GFADRO Cc1c([C@@H](C)[NH2+]CC(C)(C)OCCO)nnn1-c1cccc(Br)c1 ZINC000287459588 563602402 /nfs/dbraw/zinc/60/24/02/563602402.db2.gz VQUFZCLTTMDPCK-GFCCVEGCSA-N 1 0 397.317 2.776 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC000332559941 563603904 /nfs/dbraw/zinc/60/39/04/563603904.db2.gz OHECMWQEDJYXGO-BETUJISGSA-N 1 0 382.302 2.685 20 0 GFADRO CC(C)[C@H](C[NH3+])C(=O)NCC1(c2ccc(Br)cc2)CCOCC1 ZINC000433122460 563604047 /nfs/dbraw/zinc/60/40/47/563604047.db2.gz VYZBTYDWOGNORP-INIZCTEOSA-N 1 0 383.330 2.844 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)CC[N@@H+]1C ZINC000332550353 563604306 /nfs/dbraw/zinc/60/43/06/563604306.db2.gz PFAIPPRDQPZOOY-OCCSQVGLSA-N 1 0 386.327 2.703 20 0 GFADRO C[C@H]([NH3+])C1CCN(C(=O)Nc2ccc3nccnc3c2Br)CC1 ZINC000332578574 563605001 /nfs/dbraw/zinc/60/50/01/563605001.db2.gz DUDRAAZQTXMNOL-JTQLQIEISA-N 1 0 378.274 2.983 20 0 GFADRO CC(C)[C@@H]1CN(C(=O)C[C@H]2Sc3ccc(Cl)cc3NC2=O)CC[N@@H+]1C ZINC000332580732 563605433 /nfs/dbraw/zinc/60/54/33/563605433.db2.gz FZALQYXBKJECDX-GOEBONIOSA-N 1 0 381.929 2.942 20 0 GFADRO Cc1cc(Br)ccc1CC(=O)NC[C@H](O)C[NH+]1CCC(C)CC1 ZINC000332585608 563605852 /nfs/dbraw/zinc/60/58/52/563605852.db2.gz BVBBDNGPHUZUBF-KRWDZBQOSA-N 1 0 383.330 2.509 20 0 GFADRO C[C@@H]1CN(c2ccc(Cl)c(F)c2)CC[N@@H+]1C[C@@H](O)COCC(F)(F)F ZINC000433204499 563606668 /nfs/dbraw/zinc/60/66/68/563606668.db2.gz HNSJLSFVUMKQJV-DGCLKSJQSA-N 1 0 384.801 2.929 20 0 GFADRO C[C@@H]1CN(C(=O)C(=O)N2CCc3cc(Cl)c(Cl)cc3[C@H]2C)CC[C@H]1[NH3+] ZINC000332634115 563608996 /nfs/dbraw/zinc/60/89/96/563608996.db2.gz VJRQOAIKDSECON-GLKRBJQHSA-N 1 0 384.307 2.635 20 0 GFADRO COC[C@H](C)OC[C@H](O)C[N@@H+]1CC[C@H](Cc2ccc(Br)cc2)C1 ZINC000433296615 563609002 /nfs/dbraw/zinc/60/90/02/563609002.db2.gz IUXXNUOYVHIDFL-YXJHDRRASA-N 1 0 386.330 2.726 20 0 GFADRO C[C@@H]1CCN(C(=O)N[C@H]2CCN(c3ccccc3Br)C2)C[C@H]1C[NH3+] ZINC000332666138 563610701 /nfs/dbraw/zinc/61/07/01/563610701.db2.gz LWVZUDGNNOIAOS-KFWWJZLASA-N 1 0 395.345 2.654 20 0 GFADRO C[NH+](C)CCN(Cc1cccs1)S(=O)(=O)c1cccnc1C(F)(F)F ZINC000287630421 563611238 /nfs/dbraw/zinc/61/12/38/563611238.db2.gz BJZYYJRXRQUGKI-UHFFFAOYSA-N 1 0 393.456 2.914 20 0 GFADRO O=C(N[C@@H]1CCSc2ccc(Cl)cc21)c1ncn([C@@H]2CCC[NH2+]C2)n1 ZINC000433407273 563612053 /nfs/dbraw/zinc/61/20/53/563612053.db2.gz AQPKWBOPKUHKIV-TZMCWYRMSA-N 1 0 377.901 2.823 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000287650792 563612161 /nfs/dbraw/zinc/61/21/61/563612161.db2.gz AWDWGIDDSQOVKR-YIONKMFJSA-N 1 0 394.313 2.780 20 0 GFADRO CC(C)CNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CCOc2c(Br)cccc21 ZINC000332706386 563612629 /nfs/dbraw/zinc/61/26/29/563612629.db2.gz KGSSOQCJMIZTAD-SMDDNHRTSA-N 1 0 398.301 2.733 20 0 GFADRO CSc1cc(NC(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)ccc1Cl ZINC000411312525 563614897 /nfs/dbraw/zinc/61/48/97/563614897.db2.gz UTIRFCVUWOHVBP-WFASDCNBSA-N 1 0 381.929 2.943 20 0 GFADRO O=C(CC[N@H+]1CCSC[C@@H]1CO)N[C@H](c1cccs1)c1ccccc1 ZINC000411421323 563618521 /nfs/dbraw/zinc/61/85/21/563618521.db2.gz INLJCLNDJFAROT-LPHOPBHVSA-N 1 0 376.547 2.754 20 0 GFADRO CSc1cc(NC(=O)C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)ccc1Cl ZINC000411424933 563619061 /nfs/dbraw/zinc/61/90/61/563619061.db2.gz LKAYIWMBINDSRV-SWLSCSKDSA-N 1 0 381.929 2.943 20 0 GFADRO O=C1C[C@H]2CC[C@@H](CN1)[N@H+]2Cc1ccnc(-c2ccc(Br)cc2)n1 ZINC000333070932 563619282 /nfs/dbraw/zinc/61/92/82/563619282.db2.gz KHLCYKVDYYSORZ-CVEARBPZSA-N 1 0 387.281 2.759 20 0 GFADRO CC1(C)C[NH2+][C@H]1C1CCN(C(=O)Nc2nnc(-c3ccsc3)s2)CC1 ZINC000333078283 563619571 /nfs/dbraw/zinc/61/95/71/563619571.db2.gz AGHIJLIAVHQNIV-ZDUSSCGKSA-N 1 0 377.539 3.509 20 0 GFADRO NC(=O)C[C@H]([NH2+]Cc1cccc(Br)c1Cl)C1CCOCC1 ZINC000411513089 563621870 /nfs/dbraw/zinc/62/18/70/563621870.db2.gz CNARJLLZIFOBGK-ZDUSSCGKSA-N 1 0 375.694 2.863 20 0 GFADRO CSc1ccc(OC[C@H](O)CN2C[C@@H]([NH+]3CCCC3)[C@@H](SC)C2)cc1 ZINC000411528241 563622196 /nfs/dbraw/zinc/62/21/96/563622196.db2.gz RPRXAKSIVHNIEE-LZQZEXGQSA-N 1 0 382.595 2.660 20 0 GFADRO O=C(C[NH2+][C@H](c1cc(F)cc(Br)c1)C1CC1)NC[C@@H]1CCCO1 ZINC000411559071 563623849 /nfs/dbraw/zinc/62/38/49/563623849.db2.gz NCGFTLXSBXIKOJ-RDJZCZTQSA-N 1 0 385.277 2.924 20 0 GFADRO CSc1ccc(OC[C@H](O)CN2CCSC[C@H]2c2cnn(C)c2)cc1 ZINC000411624641 563626164 /nfs/dbraw/zinc/62/61/64/563626164.db2.gz JTBOJKDHBHQZHD-QAPCUYQASA-N 1 0 379.551 2.672 20 0 GFADRO [NH3+][C@H]1CCCO[C@H]1C1CCN(C(=O)c2cc(Br)ccc2O)CC1 ZINC000333262563 563626321 /nfs/dbraw/zinc/62/63/21/563626321.db2.gz JBQLYOGHIVNFKY-HOCLYGCPSA-N 1 0 383.286 2.513 20 0 GFADRO Cn1cc(Br)cc1C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000434160876 563626659 /nfs/dbraw/zinc/62/66/59/563626659.db2.gz SQTQFQLUGUBWKO-UHFFFAOYSA-N 1 0 398.345 2.800 20 0 GFADRO [NH3+][C@@H]1CCO[C@H](C2CCN(C(=O)Cc3cccc(Br)c3)CC2)C1 ZINC000333287438 563627555 /nfs/dbraw/zinc/62/75/55/563627555.db2.gz NRRJOYKEPKQYIW-SJORKVTESA-N 1 0 381.314 2.737 20 0 GFADRO O=C(CCOc1ccc(Cl)cc1Cl)NC[C@H](O)C[NH+]1CCCCC1 ZINC000434417653 563630845 /nfs/dbraw/zinc/63/08/45/563630845.db2.gz WLTIPZCZXXISFS-AWEZNQCLSA-N 1 0 375.296 2.725 20 0 GFADRO C[N@H+](CCCOc1c(Br)cccc1Br)CCC(N)=O ZINC000411725844 563631474 /nfs/dbraw/zinc/63/14/74/563631474.db2.gz ORMMSFNVXXZCHL-UHFFFAOYSA-N 1 0 394.107 2.788 20 0 GFADRO CCCN(CC[NH+]1CCCCC1)C(=O)C(=O)Nc1cncc(Br)c1 ZINC000288150802 563631511 /nfs/dbraw/zinc/63/15/11/563631511.db2.gz PIJPJWXVJTUJIQ-UHFFFAOYSA-N 1 0 397.317 2.507 20 0 GFADRO CCN(Cc1ccc(Cl)s1)C(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000288213578 563634063 /nfs/dbraw/zinc/63/40/63/563634063.db2.gz UCSBNGRJOIZRRC-AGUYFDCRSA-N 1 0 383.945 2.882 20 0 GFADRO O=C(NCc1cc2cc(Br)ccc2[nH]1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000333480141 563634079 /nfs/dbraw/zinc/63/40/79/563634079.db2.gz BIZASPHDNUVVDI-XHDPSFHLSA-N 1 0 377.286 2.824 20 0 GFADRO C[NH+](C)CCCOc1cnccc1CNS(=O)(=O)c1ccc(Cl)s1 ZINC000288273985 563636448 /nfs/dbraw/zinc/63/64/48/563636448.db2.gz DPUCNLMTGPFYFS-UHFFFAOYSA-N 1 0 389.930 2.606 20 0 GFADRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)N[C@H]3CCN(c4ccc(Cl)cc4Cl)C3)C[C@H]12 ZINC000333628421 563637183 /nfs/dbraw/zinc/63/71/83/563637183.db2.gz SLMKQEHGKLSSKJ-AOLWHUPESA-N 1 0 383.323 2.951 20 0 GFADRO [NH3+][C@H]1CCCO[C@H]1C1CCN(S(=O)(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000333636672 563637315 /nfs/dbraw/zinc/63/73/15/563637315.db2.gz HLFPYIIVKZYSLK-HOCLYGCPSA-N 1 0 393.336 2.900 20 0 GFADRO C[C@@H]1[C@H](NS(=O)(=O)Cc2ccc(Cl)nc2)CC[N@@H+]1Cc1ccccc1 ZINC000288299887 563637437 /nfs/dbraw/zinc/63/74/37/563637437.db2.gz GRSVILFKDSCDLM-RHSMWYFYSA-N 1 0 379.913 2.817 20 0 GFADRO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(S(=O)(=O)Cc2ccc(Cl)c(F)c2)CC1 ZINC000333686957 563639355 /nfs/dbraw/zinc/63/93/55/563639355.db2.gz PIVXQXALRYQPPL-IAGOWNOFSA-N 1 0 390.908 2.527 20 0 GFADRO COCCOCc1ccc(C[NH2+]CCCn2cc(Br)cn2)cc1 ZINC000288359453 563639427 /nfs/dbraw/zinc/63/94/27/563639427.db2.gz CVGIUSADWDXXKU-UHFFFAOYSA-N 1 0 382.302 2.989 20 0 GFADRO [NH3+][C@H]1CCO[C@H](C2CCN(S(=O)(=O)c3ccc(Cl)cc3Cl)CC2)C1 ZINC000333740969 563640671 /nfs/dbraw/zinc/64/06/71/563640671.db2.gz XPQNJUWTDCFNEL-ZFWWWQNUSA-N 1 0 393.336 2.900 20 0 GFADRO CCOCCOc1ccc(Br)cc1C[NH2+]CC(C)(C)OCCO ZINC000288408878 563642093 /nfs/dbraw/zinc/64/20/93/563642093.db2.gz IPLJIQKIGJWECL-UHFFFAOYSA-N 1 0 390.318 2.742 20 0 GFADRO [NH3+][C@H]1CCCO[C@@H]1C1CCN(C(=O)c2c(F)cccc2Br)CC1 ZINC000333849516 563643628 /nfs/dbraw/zinc/64/36/28/563643628.db2.gz PTIWQQMDQYXBEF-GOEBONIOSA-N 1 0 385.277 2.947 20 0 GFADRO C[C@H](CNS(=O)(=O)c1cc(F)ccc1Br)[N@@H+]1CCC[C@@H](C)C1 ZINC000435214367 563645420 /nfs/dbraw/zinc/64/54/20/563645420.db2.gz DYLZQZBNWKQMDP-VXGBXAGGSA-N 1 0 393.322 2.987 20 0 GFADRO C[C@@H](CNS(=O)(=O)c1cc(F)ccc1Br)C[NH+]1CCCCC1 ZINC000435224849 563645845 /nfs/dbraw/zinc/64/58/45/563645845.db2.gz DZFPMVCJYGBTBQ-LBPRGKRZSA-N 1 0 393.322 2.989 20 0 GFADRO Cc1nc(S(=O)(=O)N(CCCc2ccccc2)CC[NH+](C)C)sc1C ZINC000435225456 563645958 /nfs/dbraw/zinc/64/59/58/563645958.db2.gz HKNIOVRAZHYEHD-UHFFFAOYSA-N 1 0 381.567 2.945 20 0 GFADRO [NH3+][C@H]1CCCO[C@@H]1C1CCN(C(=O)NCc2ccccc2Br)CC1 ZINC000333941242 563646380 /nfs/dbraw/zinc/64/63/80/563646380.db2.gz OVPCSSUZUNRKLD-DLBZAZTESA-N 1 0 396.329 2.877 20 0 GFADRO COC(=O)[C@@H]1CSCC[N@H+](CCc2nc(-c3cccc(Cl)c3)no2)C1 ZINC000412069676 563646514 /nfs/dbraw/zinc/64/65/14/563646514.db2.gz HQZVMIJCQIUIGN-ZDUSSCGKSA-N 1 0 381.885 2.771 20 0 GFADRO O=C([C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000435244395 563646723 /nfs/dbraw/zinc/64/67/23/563646723.db2.gz DMWRBTYJKBHHTR-KBPBESRZSA-N 1 0 382.291 2.699 20 0 GFADRO O=C(c1nc2ccc(Br)cn2n1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000333951989 563647122 /nfs/dbraw/zinc/64/71/22/563647122.db2.gz ZNOJJVZQMNKPJO-UHFFFAOYSA-N 1 0 392.301 2.582 20 0 GFADRO O=C(N[C@@H]1CCOc2ccc(Br)cc21)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000333949914 563647192 /nfs/dbraw/zinc/64/71/92/563647192.db2.gz XQZXSBJYTCTYKB-TUKIKUTGSA-N 1 0 380.286 2.666 20 0 GFADRO CNc1cc(I)ccc1C(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000412126073 563648688 /nfs/dbraw/zinc/64/86/88/563648688.db2.gz DVBBWNHVCZISIX-JQWIXIFHSA-N 1 0 387.265 2.545 20 0 GFADRO [NH3+]C[C@H]1CN(Cc2cc(Br)ccc2OCc2ccccn2)CCO1 ZINC000435388975 563648792 /nfs/dbraw/zinc/64/87/92/563648792.db2.gz IOFAODWTTBMQRI-KRWDZBQOSA-N 1 0 392.297 2.583 20 0 GFADRO CCOC(=O)COc1c(Br)cc(C)cc1CN1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000435373013 563649026 /nfs/dbraw/zinc/64/90/26/563649026.db2.gz CSDWDTUCYMEGNR-KGLIPLIRSA-N 1 0 399.329 2.869 20 0 GFADRO C[C@H]1c2c(Cl)cc(Cl)cc2CCN1C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000435417045 563649690 /nfs/dbraw/zinc/64/96/90/563649690.db2.gz QWEVJIFIVLQHGR-SWLSCSKDSA-N 1 0 385.339 2.868 20 0 GFADRO Cc1cnn(C)c1C(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000412218025 563651011 /nfs/dbraw/zinc/65/10/11/563651011.db2.gz YXLLTLODQDLBNF-UHFFFAOYSA-N 1 0 379.302 2.695 20 0 GFADRO Cc1c(Br)cc(C(=O)N[C@@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)c(=O)n1C ZINC000334051484 563651145 /nfs/dbraw/zinc/65/11/45/563651145.db2.gz QFDVTPYAPVLXIE-XQQFMLRXSA-N 1 0 398.345 2.552 20 0 GFADRO COCCN(Cc1scnc1C)C(=O)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000412288793 563652425 /nfs/dbraw/zinc/65/24/25/563652425.db2.gz MDGGHVRPKVPATQ-MRXNPFEDSA-N 1 0 383.583 2.644 20 0 GFADRO C[C@@H](O)C[N@@H+]1CCN(C(=O)N[C@H](C)c2ccc(Br)cc2)C[C@H]1C ZINC000334103525 563652989 /nfs/dbraw/zinc/65/29/89/563652989.db2.gz NAAWJSXPBCVQOA-MGPQQGTHSA-N 1 0 384.318 2.607 20 0 GFADRO O=C(Nc1n[nH]cc1Br)[C@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F ZINC000412338697 563654570 /nfs/dbraw/zinc/65/45/70/563654570.db2.gz NYKBRVMEVRXRGF-GFCCVEGCSA-N 1 0 399.239 3.268 20 0 GFADRO O=C(N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1cc[nH]c(=O)c1Br ZINC000435614612 563654809 /nfs/dbraw/zinc/65/48/09/563654809.db2.gz MXXVHJPQJCKABI-CQSZACIVSA-N 1 0 390.281 2.944 20 0 GFADRO C[C@@H](CNC(=O)c1nnn(-c2ccc(Br)cc2)c1C1CC1)[NH+](C)C ZINC000412388529 563655596 /nfs/dbraw/zinc/65/55/96/563655596.db2.gz PYTOIQSIGZPDKN-NSHDSACASA-N 1 0 392.301 2.587 20 0 GFADRO C[C@@H](CNC(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1)[NH+](C)C ZINC000412388521 563655763 /nfs/dbraw/zinc/65/57/63/563655763.db2.gz PJFIYNMVDUNPJK-JSGCOSHPSA-N 1 0 386.323 2.912 20 0 GFADRO C[N@H+](CCn1cc(Br)cn1)C[C@@H]1CN(c2ccccc2)C(=O)O1 ZINC000288752308 563655936 /nfs/dbraw/zinc/65/59/36/563655936.db2.gz IDZMIRWSKILYKR-OAHLLOKOSA-N 1 0 379.258 2.603 20 0 GFADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)N[C@@H](C)c1ccc(Br)s1 ZINC000435963112 563661394 /nfs/dbraw/zinc/66/13/94/563661394.db2.gz BKEMSRBOLWHWSU-NEPJUHHUSA-N 1 0 389.363 2.507 20 0 GFADRO CN(C)C(=O)NCC[N@H+](C)Cc1ccc(I)c(Cl)c1 ZINC000436099264 563664171 /nfs/dbraw/zinc/66/41/71/563664171.db2.gz LKJLBTBTLXNPON-UHFFFAOYSA-N 1 0 395.672 2.648 20 0 GFADRO O=C(c1ccc(C2SCCCS2)cc1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000289168070 563670420 /nfs/dbraw/zinc/67/04/20/563670420.db2.gz HMVLVRXOGINTDD-KRWDZBQOSA-N 1 0 377.579 2.675 20 0 GFADRO Clc1cc(CC[NH2+]Cc2cnc(C3OCCO3)s2)cc2c1OCCO2 ZINC000289208318 563671729 /nfs/dbraw/zinc/67/17/29/563671729.db2.gz IIQJFHYPMMUPTA-UHFFFAOYSA-N 1 0 382.869 2.945 20 0 GFADRO CCN1CCN(C(=O)[C@@H](C)SCc2nnc(-c3ccccc3)s2)CC1 ZINC000289400859 563673919 /nfs/dbraw/zinc/67/39/19/563673919.db2.gz NGASLJHTARCKEF-CQSZACIVSA-N 1 0 376.551 2.991 20 0 GFADRO C[C@@H](O)c1ncc(CN(C)CCCOc2ccc(S(C)(=O)=O)cc2)s1 ZINC000289465923 563675107 /nfs/dbraw/zinc/67/51/07/563675107.db2.gz YQTUFGJRICHNAY-CYBMUJFWSA-N 1 0 384.523 2.501 20 0 GFADRO O=c1nc([C@H]2CCC[N@@H+](Cc3cc(Br)cc4cccnc43)C2)[nH][nH]1 ZINC000289504482 563676614 /nfs/dbraw/zinc/67/66/14/563676614.db2.gz UKWKAFBPUGSXJY-LBPRGKRZSA-N 1 0 388.269 2.788 20 0 GFADRO COC(=O)C1=NOC2(C1)CC[NH+](Cc1cc(OC)ccc1Br)CC2 ZINC000289577321 563679540 /nfs/dbraw/zinc/67/95/40/563679540.db2.gz QXLUIOOKIAOMGW-UHFFFAOYSA-N 1 0 397.269 2.742 20 0 GFADRO NS(=O)(=O)c1ccc2c(c1)[C@H]([NH2+]C[C@@H](O)c1ccc(Cl)cc1)CCC2 ZINC000289757771 563685728 /nfs/dbraw/zinc/68/57/28/563685728.db2.gz MWCCYXMTVUMMRX-QZTJIDSGSA-N 1 0 380.897 2.688 20 0 GFADRO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]C[C@@]2(C)OCCc3sccc32)c1 ZINC000289763658 563685906 /nfs/dbraw/zinc/68/59/06/563685906.db2.gz LUMWXPULTLWSOW-FZKQIMNGSA-N 1 0 380.535 2.795 20 0 GFADRO NC(=O)NC(=O)OCCC[NH2+][C@@H](c1cc(Cl)ccc1Cl)[C@@H]1CCOC1 ZINC000359996870 563690294 /nfs/dbraw/zinc/69/02/94/563690294.db2.gz SFJFCSQNEQEXSY-QMTHXVAHSA-N 1 0 390.267 2.856 20 0 GFADRO COc1cc(C[NH2+]C[C@@H]2CCCN2c2cccnn2)c(Br)cc1O ZINC000360091181 563691509 /nfs/dbraw/zinc/69/15/09/563691509.db2.gz AUJAKHDVYOZWIJ-ZDUSSCGKSA-N 1 0 393.285 2.712 20 0 GFADRO COc1ccc(Br)cc1CN1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000360694022 563694392 /nfs/dbraw/zinc/69/43/92/563694392.db2.gz VLVVFXNHHKMCRB-QAPCUYQASA-N 1 0 396.373 2.916 20 0 GFADRO O=C1C[C@H]([C@@H]2CCCC[N@H+]2Cc2cnc3ccc(Br)cn23)CN1 ZINC000360810039 563695387 /nfs/dbraw/zinc/69/53/87/563695387.db2.gz NQRIBEDIHCWCML-WFASDCNBSA-N 1 0 377.286 2.587 20 0 GFADRO COc1ccc([C@@H]([NH2+]C[C@H]2CN(C)CCN2C)C(C)C)c(Br)c1 ZINC000290019414 563695409 /nfs/dbraw/zinc/69/54/09/563695409.db2.gz ZWVNFPDSULOCDN-KSSFIOAISA-N 1 0 384.362 2.990 20 0 GFADRO O=C(CN1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1)Nc1ccccc1Br ZINC000360973334 563695843 /nfs/dbraw/zinc/69/58/43/563695843.db2.gz SZKIQIRIZHKTSD-JKIFEVAISA-N 1 0 378.314 2.804 20 0 GFADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1cc2cc(Br)ccc2o1 ZINC000360939239 563696241 /nfs/dbraw/zinc/69/62/41/563696241.db2.gz BTHURKVCJHNBSJ-KBPBESRZSA-N 1 0 379.254 2.788 20 0 GFADRO C[N@@H+]1CC[C@H](CNS(=O)(=O)CC2CCOCC2)[C@H]1c1cccc(Cl)c1 ZINC000361035190 563696444 /nfs/dbraw/zinc/69/64/44/563696444.db2.gz YRDSXAINTVLBPT-SJLPKXTDSA-N 1 0 386.945 2.679 20 0 GFADRO Nc1ncccc1C[N@@H+]1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000290094081 563697899 /nfs/dbraw/zinc/69/78/99/563697899.db2.gz RMRRBJNMHYAFLZ-CYBMUJFWSA-N 1 0 390.285 2.672 20 0 GFADRO Cc1ccc(-n2nc(Br)cc2C(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000290134115 563699338 /nfs/dbraw/zinc/69/93/38/563699338.db2.gz MAJNIVLLFTWWOS-KBPBESRZSA-N 1 0 389.297 2.625 20 0 GFADRO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NC1CCN(Cc2ccc(Br)cc2)CC1 ZINC000290142748 563699487 /nfs/dbraw/zinc/69/94/87/563699487.db2.gz MPDXNBKSFKDQSK-ROUUACIJSA-N 1 0 394.357 2.918 20 0 GFADRO CC(C)S(=O)(=O)CC[NH2+][C@@H](C)CC(=O)Nc1ccc(Br)cc1 ZINC000290194051 563700609 /nfs/dbraw/zinc/70/06/09/563700609.db2.gz GEOUTDUWPQBYDA-LBPRGKRZSA-N 1 0 391.331 2.579 20 0 GFADRO Cc1cc(S(=O)(=O)N2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)c(Cl)cc1F ZINC000362162516 563704283 /nfs/dbraw/zinc/70/42/83/563704283.db2.gz PLHMDMLMYUEAIM-APHBMKBZSA-N 1 0 390.908 2.660 20 0 GFADRO O=C(C[C@@H](O)c1cc(Cl)cc(Cl)c1)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000362272565 563705041 /nfs/dbraw/zinc/70/50/41/563705041.db2.gz GULQMDWNVHPFRJ-IAGOWNOFSA-N 1 0 387.307 2.786 20 0 GFADRO Cc1ccc(CC(=O)N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)cc1Br ZINC000438363945 563705046 /nfs/dbraw/zinc/70/50/46/563705046.db2.gz IOTFMSACDBWVEC-AWEZNQCLSA-N 1 0 383.330 2.604 20 0 GFADRO O=C(CCNc1ncc(C(F)(F)F)cc1Cl)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000290357060 563706105 /nfs/dbraw/zinc/70/61/05/563706105.db2.gz JGURDOBPCRFZDR-MNOVXSKESA-N 1 0 376.810 2.624 20 0 GFADRO O=C(CCC(=O)c1cc(Cl)sc1Cl)N[C@@H](CO)C[NH+]1CCCCC1 ZINC000413814892 563706811 /nfs/dbraw/zinc/70/68/11/563706811.db2.gz JAJHCLVFSGUAFI-LLVKDONJSA-N 1 0 393.336 2.981 20 0 GFADRO CN(C)C(=O)[C@@H]1CCC[C@H]([NH2+]Cc2nc3ccccn3c2Br)C1 ZINC000290359295 563707058 /nfs/dbraw/zinc/70/70/58/563707058.db2.gz MQOAENCIHFANOZ-OLZOCXBDSA-N 1 0 379.302 2.833 20 0 GFADRO CN(C)C(=O)[C@H]1CCC[C@H]([NH2+]Cc2nc3ccccn3c2Br)C1 ZINC000290359298 563707158 /nfs/dbraw/zinc/70/71/58/563707158.db2.gz MQOAENCIHFANOZ-STQMWFEESA-N 1 0 379.302 2.833 20 0 GFADRO CC(C)([NH2+]C[C@H]1CCCN(S(C)(=O)=O)C1)c1ccc(Br)cc1 ZINC000438671911 563708672 /nfs/dbraw/zinc/70/86/72/563708672.db2.gz OZWIIJZVPDGLKK-CYBMUJFWSA-N 1 0 389.359 2.945 20 0 GFADRO CCN(CC(=O)NC(C)C)C(=O)C[NH2+]C(C)(C)c1ccc(Br)cc1 ZINC000438662710 563708910 /nfs/dbraw/zinc/70/89/10/563708910.db2.gz AWCJMXZDZBCSGX-UHFFFAOYSA-N 1 0 398.345 2.647 20 0 GFADRO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]Cc1nccn1CC(F)(F)F ZINC000414084434 563718070 /nfs/dbraw/zinc/71/80/70/563718070.db2.gz XGKILJXUINRWFT-JTQLQIEISA-N 1 0 393.207 2.548 20 0 GFADRO O[C@H](COc1ccc(Br)cc1)C[N@@H+]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000439140265 563718034 /nfs/dbraw/zinc/71/80/34/563718034.db2.gz HOCHWTWPEJYWHR-VYDXJSESSA-N 1 0 384.314 2.937 20 0 GFADRO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]CCN1CCc2ccccc2C1 ZINC000414078220 563718262 /nfs/dbraw/zinc/71/82/62/563718262.db2.gz ZSCNQZLDGQAUOB-HNNXBMFYSA-N 1 0 390.325 2.647 20 0 GFADRO Cc1nn(C)c(C)c1CCC[NH2+][C@@H](C)Cn1cc(Br)ccc1=O ZINC000414096329 563718997 /nfs/dbraw/zinc/71/89/97/563718997.db2.gz IMPBRCICAVETKL-LBPRGKRZSA-N 1 0 381.318 2.572 20 0 GFADRO CO[C@@H](C[NH2+][C@H](C)Cn1cc(Br)ccc1=O)Cc1ccccc1 ZINC000414136245 563720151 /nfs/dbraw/zinc/72/01/51/563720151.db2.gz IURCHWXDMFQHOI-RHSMWYFYSA-N 1 0 379.298 2.847 20 0 GFADRO C[C@@H]([NH2+]CCCNS(=O)(=O)c1ccccc1Br)[C@@H]1C[C@H]1C ZINC000414138363 563720548 /nfs/dbraw/zinc/72/05/48/563720548.db2.gz GRVQUHNQZJRJJN-JHJVBQTASA-N 1 0 375.332 2.752 20 0 GFADRO C[NH+](C)CCN1CCCN(C(=O)c2ccc(C3SCCS3)cc2)CC1 ZINC000363343456 563720776 /nfs/dbraw/zinc/72/07/76/563720776.db2.gz UIIXMXRQFKXOMR-UHFFFAOYSA-N 1 0 379.595 2.875 20 0 GFADRO COc1ccc(C[C@@H](CO)C[NH2+][C@H](C)c2ccn(C)n2)cc1Br ZINC000414154376 563720981 /nfs/dbraw/zinc/72/09/81/563720981.db2.gz TVMNJVKXAHQKTI-TZMCWYRMSA-N 1 0 382.302 2.693 20 0 GFADRO COc1ncc(C[NH2+][C@@H](C)Cn2cc(Br)ccc2=O)cc1Cl ZINC000414148074 563721321 /nfs/dbraw/zinc/72/13/21/563721321.db2.gz NCMIINFCMZAWQW-JTQLQIEISA-N 1 0 386.677 2.846 20 0 GFADRO CCCC(=O)N1CCC[N@H+](C[C@@H](O)COc2cccc(Br)c2)CC1 ZINC000363431899 563722837 /nfs/dbraw/zinc/72/28/37/563722837.db2.gz AQFJOPBXJLPPLK-MRXNPFEDSA-N 1 0 399.329 2.523 20 0 GFADRO CN(C(=O)c1ccc(Br)cn1)C1CC[NH+](C2CCOCC2)CC1 ZINC000363461413 563723416 /nfs/dbraw/zinc/72/34/16/563723416.db2.gz QCDIXTQSNIQTBK-UHFFFAOYSA-N 1 0 382.302 2.560 20 0 GFADRO C[C@]1([NH2+]C[C@@H](O)COc2cc(F)cc(Br)c2)CCO[C@@H]1C1CC1 ZINC000439435320 563724326 /nfs/dbraw/zinc/72/43/26/563724326.db2.gz GMSSXCMRUOIULQ-OIISXLGYSA-N 1 0 388.277 2.875 20 0 GFADRO Cc1ccc([C@@H]2CSCCN2C[C@@H](O)c2ccc(S(C)(=O)=O)cc2)o1 ZINC000363505763 563724493 /nfs/dbraw/zinc/72/44/93/563724493.db2.gz AFCHKLKILMHYFT-DLBZAZTESA-N 1 0 381.519 2.815 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+][C@@H]2CCc3ccccc32)cc1Br ZINC000414280632 563724829 /nfs/dbraw/zinc/72/48/29/563724829.db2.gz LNSNNZLUOUUJPI-OAHLLOKOSA-N 1 0 381.295 2.874 20 0 GFADRO CCNC(=O)C(C)(C)C[NH2+]Cc1c(Br)cncc1Br ZINC000290914192 563726268 /nfs/dbraw/zinc/72/62/68/563726268.db2.gz PRRWBMGSIWJJQR-UHFFFAOYSA-N 1 0 393.123 2.859 20 0 GFADRO CNc1snc(C)c1C(=O)N[C@H]1CC[N@H+](Cc2cnc(C)s2)C[C@H]1C ZINC000363550353 563726137 /nfs/dbraw/zinc/72/61/37/563726137.db2.gz AHQHUMJHQKDGHK-YGRLFVJLSA-N 1 0 379.555 2.899 20 0 GFADRO OCCCSCC[NH2+]Cc1c(Br)cncc1Br ZINC000290931356 563726197 /nfs/dbraw/zinc/72/61/97/563726197.db2.gz SANKKBJSUKVLQF-UHFFFAOYSA-N 1 0 384.137 2.812 20 0 GFADRO NC(=O)c1cn(CCCC[NH2+][C@H](c2ccc(Br)cc2)C2CC2)nn1 ZINC000414347737 563728155 /nfs/dbraw/zinc/72/81/55/563728155.db2.gz HWPAGMNLNGJQOE-INIZCTEOSA-N 1 0 392.301 2.661 20 0 GFADRO Cc1cc(Br)c(F)cc1NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000439597544 563728902 /nfs/dbraw/zinc/72/89/02/563728902.db2.gz QYWULPFQRPWSHT-LBPRGKRZSA-N 1 0 398.276 2.530 20 0 GFADRO NC(=O)[C@H](N[C@@H]1CC[N@H+](CC2CCCC2)C1)c1ccc(Br)cc1 ZINC000439647858 563729640 /nfs/dbraw/zinc/72/96/40/563729640.db2.gz MKLVYZVJMLDEIU-IAGOWNOFSA-N 1 0 380.330 2.830 20 0 GFADRO C[C@H](C(=O)Nc1cc(Cl)ccc1Cl)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000363733840 563731641 /nfs/dbraw/zinc/73/16/41/563731641.db2.gz TXKJIFORLHWARC-CSMYWGQOSA-N 1 0 386.323 2.851 20 0 GFADRO Cc1ccc(Br)cc1CNC(=O)NC[C@H](O)C[NH+]1CCC(C)CC1 ZINC000439805608 563732068 /nfs/dbraw/zinc/73/20/68/563732068.db2.gz CFCTZAGCLAZWPY-KRWDZBQOSA-N 1 0 398.345 2.650 20 0 GFADRO COC(=O)c1cc(C[NH2+][C@@H](CO)c2cccc(Br)c2)n(C)c1C ZINC000291173627 563733689 /nfs/dbraw/zinc/73/36/89/563733689.db2.gz KCUCNCVCFFXPGK-INIZCTEOSA-N 1 0 381.270 2.706 20 0 GFADRO CS(=O)(=O)Cc1cccc(C[NH2+]C2CCN(CCC(F)(F)F)CC2)c1 ZINC000291190957 563734073 /nfs/dbraw/zinc/73/40/73/563734073.db2.gz PEFUMNUVSXTACI-UHFFFAOYSA-N 1 0 378.460 2.738 20 0 GFADRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C[C@@H]1Sc2ccc(Cl)cc2NC1=O ZINC000363846712 563734801 /nfs/dbraw/zinc/73/48/01/563734801.db2.gz MYDMGYFQVQNTPF-OOVXXXAESA-N 1 0 379.913 2.742 20 0 GFADRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NS(=O)(=O)c1cc2c(cc1Cl)OCCO2 ZINC000440070906 563735336 /nfs/dbraw/zinc/73/53/36/563735336.db2.gz KXGVPEMGHVGRFJ-CHWSQXEVSA-N 1 0 388.917 2.510 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1cc(Br)c2c(c1)OCCO2 ZINC000364044709 563740520 /nfs/dbraw/zinc/74/05/20/563740520.db2.gz YRTCTBFSGCKWKZ-OLZOCXBDSA-N 1 0 381.270 2.577 20 0 GFADRO CC(C)(C)O[C@@H]1C[C@H]([NH2+]Cc2ccc(S(C)(=O)=O)s2)[C@@H]1n1cccn1 ZINC000414463441 563741089 /nfs/dbraw/zinc/74/10/89/563741089.db2.gz RPGVTPYCLPWYEX-LZWOXQAQSA-N 1 0 383.539 2.635 20 0 GFADRO O=C(c1cc(F)ccc1I)N1CCC[N@@H+](C2CC2)CC1 ZINC000364057937 563741417 /nfs/dbraw/zinc/74/14/17/563741417.db2.gz UKJUDPOLIGVBFR-UHFFFAOYSA-N 1 0 388.224 2.741 20 0 GFADRO C[NH+]1CCC(CCNC(=O)[C@H]2CCCN2C(=O)c2ccc(Cl)s2)CC1 ZINC000364052216 563741589 /nfs/dbraw/zinc/74/15/89/563741589.db2.gz NPQZTFNDRGMXQI-CQSZACIVSA-N 1 0 383.945 2.854 20 0 GFADRO CCCC[C@H](C[NH3+])NS(=O)(=O)c1cc(Br)sc1Cl ZINC000440425090 563742279 /nfs/dbraw/zinc/74/22/79/563742279.db2.gz UPEDWRDQBAQHOL-SSDOTTSWSA-N 1 0 375.741 2.960 20 0 GFADRO CS(=O)(=O)c1cc(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c(Cl)cc1Cl ZINC000364079342 563742529 /nfs/dbraw/zinc/74/25/29/563742529.db2.gz SWLFSMMUFBJOAS-GHMZBOCLSA-N 1 0 391.320 2.754 20 0 GFADRO CCc1ncc(C[NH2+]C[C@H](CO)Cc2ccc(OC)c(Br)c2)cn1 ZINC000414471040 563742684 /nfs/dbraw/zinc/74/26/84/563742684.db2.gz QDPWZRRNDKNBJS-CQSZACIVSA-N 1 0 394.313 2.751 20 0 GFADRO CCCOc1c(Br)cc(C[NH2+]C[C@@H]2CNC(=O)C2)cc1OCC ZINC000414487056 563744553 /nfs/dbraw/zinc/74/45/53/563744553.db2.gz RTBVQVCPWZRHTF-CYBMUJFWSA-N 1 0 385.302 2.862 20 0 GFADRO O=C(Nc1nccn1Cc1ccc(Br)cc1)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000364215344 563746300 /nfs/dbraw/zinc/74/63/00/563746300.db2.gz OZGZJCXPDZVFTB-WMLDXEAASA-N 1 0 375.270 2.632 20 0 GFADRO COc1cc(CNC(=O)CC2CC[NH+](C)CC2)cc(Br)c1OC ZINC000291530415 563746636 /nfs/dbraw/zinc/74/66/36/563746636.db2.gz NGZDUZSLNWHDFJ-UHFFFAOYSA-N 1 0 385.302 2.814 20 0 GFADRO COc1ccc(I)c(NC(=O)CC2CC[NH+](C)CC2)c1 ZINC000291545791 563747308 /nfs/dbraw/zinc/74/73/08/563747308.db2.gz PMLJWOUNWYHKQO-UHFFFAOYSA-N 1 0 388.249 2.970 20 0 GFADRO CN(CC1CCN(c2cc[nH+]cc2)CC1)S(=O)(=O)CCc1cccs1 ZINC000364254136 563747612 /nfs/dbraw/zinc/74/76/12/563747612.db2.gz HMHSDLWTNJNSEQ-UHFFFAOYSA-N 1 0 379.551 2.864 20 0 GFADRO O=S(=O)(c1cc(Cl)c(Br)cc1F)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000440739535 563748859 /nfs/dbraw/zinc/74/88/59/563748859.db2.gz BJPAKDFYEOKXDU-ZDUSSCGKSA-N 1 0 397.697 2.616 20 0 GFADRO O=C(Nc1ccccc1I)N1CCC2(C1)CC[NH2+]CC2 ZINC000414663865 563749368 /nfs/dbraw/zinc/74/93/68/563749368.db2.gz SACPJFBZCVRBGP-UHFFFAOYSA-N 1 0 385.249 2.899 20 0 GFADRO C[C@@H]1CCCN(S(=O)(=O)c2cc(Cl)ccc2Br)[C@H]1C[NH3+] ZINC000440757346 563749411 /nfs/dbraw/zinc/74/94/11/563749411.db2.gz STCSDMBNJLMPDN-SKDRFNHKSA-N 1 0 381.723 2.850 20 0 GFADRO COc1cc(Br)cc(S(=O)(=O)NCc2ccc([C@@H](C)[NH3+])cc2)c1 ZINC000440761344 563749646 /nfs/dbraw/zinc/74/96/46/563749646.db2.gz PGJHKFTVDGUMEA-LLVKDONJSA-N 1 0 399.310 2.956 20 0 GFADRO O=C(Nc1cccc(I)c1)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000414688646 563750424 /nfs/dbraw/zinc/75/04/24/563750424.db2.gz DLSGXKVKOQVBAJ-UONOGXRCSA-N 1 0 385.249 2.801 20 0 GFADRO C[C@@H]1CCN(C(=O)Nc2nnc(SCc3ccccc3)s2)[C@H](C[NH3+])C1 ZINC000414716535 563751021 /nfs/dbraw/zinc/75/10/21/563751021.db2.gz YJPOALVATSRGDP-OCCSQVGLSA-N 1 0 377.539 3.422 20 0 GFADRO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)Nc1nnc(SCc2ccccc2)s1 ZINC000414707616 563751025 /nfs/dbraw/zinc/75/10/25/563751025.db2.gz MVYXMXYBZBJSJW-UONOGXRCSA-N 1 0 377.539 3.469 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CCN(S(=O)(=O)c2cc(Cl)c(Br)cc2F)C1 ZINC000440829624 563751113 /nfs/dbraw/zinc/75/11/13/563751113.db2.gz FGDPRGDFRCFHIN-HTQZYQBOSA-N 1 0 385.686 2.599 20 0 GFADRO COc1cc(C)c(Br)cc1S(=O)(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000440830198 563751133 /nfs/dbraw/zinc/75/11/33/563751133.db2.gz XLLRIDHZSOBVJO-GFCCVEGCSA-N 1 0 391.331 2.516 20 0 GFADRO COc1ccc([C@H]2CC[NH2+]C[C@@H]2NS(=O)(=O)c2cc(C)c(C)s2)cc1 ZINC000440840568 563751752 /nfs/dbraw/zinc/75/17/52/563751752.db2.gz ACWMLEWRSGOJKT-SJORKVTESA-N 1 0 380.535 2.798 20 0 GFADRO Cc1cc(Br)ccc1S(=O)(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000440837392 563751813 /nfs/dbraw/zinc/75/18/13/563751813.db2.gz XLRAHKUSSMVNMZ-OAHLLOKOSA-N 1 0 387.343 2.910 20 0 GFADRO C[C@H]([NH3+])c1ccc(NC(=O)C(=O)N(C)Cc2ccc(Br)o2)cc1 ZINC000414732752 563752180 /nfs/dbraw/zinc/75/21/80/563752180.db2.gz UTUDWKLMDVKKDB-JTQLQIEISA-N 1 0 380.242 2.659 20 0 GFADRO Cc1cc(S(=O)(=O)N2CCC3(C2)CC[NH2+]CC3)c(C)cc1Br ZINC000440849183 563752271 /nfs/dbraw/zinc/75/22/71/563752271.db2.gz QRUDFLFYIZVASU-UHFFFAOYSA-N 1 0 387.343 2.830 20 0 GFADRO Cc1ccc(S(=O)(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)cc1Br ZINC000440860100 563752458 /nfs/dbraw/zinc/75/24/58/563752458.db2.gz JUOIWEXKYVNXSP-MRXNPFEDSA-N 1 0 387.343 2.910 20 0 GFADRO Brc1cc(C[NH2+]CCCNCc2cccnc2)cc2c1OCO2 ZINC000414875786 563753615 /nfs/dbraw/zinc/75/36/15/563753615.db2.gz JSYPVCQFMJFHTL-UHFFFAOYSA-N 1 0 378.270 2.842 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c(Br)c1 ZINC000440943020 563753767 /nfs/dbraw/zinc/75/37/67/563753767.db2.gz HEAVCSSTZFJWGZ-ZIAGYGMSSA-N 1 0 396.329 2.946 20 0 GFADRO C[C@H](CCCC[NH3+])NC(=O)Nc1cc(Br)ccc1N1CCOCC1 ZINC000414920907 563754396 /nfs/dbraw/zinc/75/43/96/563754396.db2.gz AOGIQLHXVFZPEZ-CYBMUJFWSA-N 1 0 399.333 2.925 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)Nc2cc(Br)ccc2N2CCOCC2)CC[NH2+]1 ZINC000414937287 563754719 /nfs/dbraw/zinc/75/47/19/563754719.db2.gz XAXAVBVYALUFRK-TZMCWYRMSA-N 1 0 397.317 2.548 20 0 GFADRO O=C(NC[C@@H]1C[NH2+]CCO1)Nc1ccc(Br)cc1C(F)(F)F ZINC000414970991 563755004 /nfs/dbraw/zinc/75/50/04/563755004.db2.gz IEGHVOXSUKADLN-VIFPVBQESA-N 1 0 382.180 2.578 20 0 GFADRO C[C@H](COc1ccc2cc(Br)ccc2c1)[NH2+]C[C@@H]1CNCCN1C ZINC000414968868 563755203 /nfs/dbraw/zinc/75/52/03/563755203.db2.gz DGKLYPFGRIZAHH-KDOFPFPSSA-N 1 0 392.341 2.863 20 0 GFADRO NC(=O)N1CCC([NH2+][C@H]2CCCN(c3ccc(Cl)cc3Cl)C2=O)CC1 ZINC000364521396 563756101 /nfs/dbraw/zinc/75/61/01/563756101.db2.gz YCFPJHRYOQVGTL-AWEZNQCLSA-N 1 0 385.295 2.622 20 0 GFADRO C[C@@H](CC(=O)Nc1cccc(Br)c1)N[C@@H]1C[NH2+]CCC1(F)F ZINC000415008859 563756848 /nfs/dbraw/zinc/75/68/48/563756848.db2.gz WQLBTHFFCJOTPK-GXFFZTMASA-N 1 0 376.245 2.753 20 0 GFADRO COc1cc(CN[C@@H]2CCCC[NH2+]C2)cc(I)c1OC ZINC000415067935 563757699 /nfs/dbraw/zinc/75/76/99/563757699.db2.gz LSBFSFWOPAWOOT-GFCCVEGCSA-N 1 0 390.265 2.540 20 0 GFADRO COc1ccc(I)c(NC(=O)NC2(C)CC[NH2+]CC2)c1 ZINC000415066662 563757989 /nfs/dbraw/zinc/75/79/89/563757989.db2.gz BBNPCJWOUDDWDC-UHFFFAOYSA-N 1 0 389.237 2.563 20 0 GFADRO CN(CC[C@H]1CCCC[N@@H+]1C)C[C@@H](O)COc1ccc(Br)cc1 ZINC000441348554 563758143 /nfs/dbraw/zinc/75/81/43/563758143.db2.gz CNBBOUKKHOFVAH-IAGOWNOFSA-N 1 0 385.346 2.995 20 0 GFADRO CC[C@@H]1C[C@H](C[NH2+]CCNS(=O)(=O)c2ccc(Cl)cc2F)CCO1 ZINC000441342165 563758376 /nfs/dbraw/zinc/75/83/76/563758376.db2.gz RFYXBBQUCZENMN-TZMCWYRMSA-N 1 0 378.897 2.552 20 0 GFADRO COc1ccc(I)c(NC(=O)N2C[C@H](C[NH3+])C[C@@H]2C)c1 ZINC000415079439 563758765 /nfs/dbraw/zinc/75/87/65/563758765.db2.gz XFCHWSZBRQUQJK-UWVGGRQHSA-N 1 0 389.237 2.501 20 0 GFADRO C[C@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH2+]C[C@@H]1CNCCO1 ZINC000415091888 563758887 /nfs/dbraw/zinc/75/88/87/563758887.db2.gz DIJCSMNCEWZAFT-PWSUYJOCSA-N 1 0 379.810 2.654 20 0 GFADRO CO[C@H]1CC[N@H+](CC(=O)N(C)CCOc2ccc(Br)cc2)[C@H](C)C1 ZINC000441366305 563759116 /nfs/dbraw/zinc/75/91/16/563759116.db2.gz NBLNWUDYKXXMME-PBHICJAKSA-N 1 0 399.329 2.786 20 0 GFADRO CC[NH2+][C@H](C)CNC(=O)Nc1cc(F)c(I)c(F)c1 ZINC000415117747 563759509 /nfs/dbraw/zinc/75/95/09/563759509.db2.gz JBMHRIZCENGAPO-SSDOTTSWSA-N 1 0 383.180 2.689 20 0 GFADRO CCCOc1c(Br)cc(CN2CCCO[C@@H](C[NH3+])C2)cc1OC ZINC000415112815 563759776 /nfs/dbraw/zinc/75/97/76/563759776.db2.gz QWGVQIKJQMKGCN-AWEZNQCLSA-N 1 0 387.318 2.796 20 0 GFADRO COc1ccc(S(=O)(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)c(Cl)c1Cl ZINC000291819153 563759968 /nfs/dbraw/zinc/75/99/68/563759968.db2.gz DXBNAAOYZLGHTG-OAHLLOKOSA-N 1 0 379.309 2.718 20 0 GFADRO CC(C)N(C)C(=O)c1ccc(Cl)c(NC(=O)N[C@H](CC[NH3+])C(F)F)c1 ZINC000415142977 563761056 /nfs/dbraw/zinc/76/10/56/563761056.db2.gz BGCWDYLIDBFZCB-GFCCVEGCSA-N 1 0 376.835 2.924 20 0 GFADRO CC1(C)CN(C(=O)Nc2cc(Br)ccc2-n2cccn2)CC[NH2+]1 ZINC000415172530 563761842 /nfs/dbraw/zinc/76/18/42/563761842.db2.gz ZLHKXSQORXJTPV-UHFFFAOYSA-N 1 0 378.274 2.851 20 0 GFADRO Cc1ccc(SCC(F)(F)F)c(NC(=O)NCCN2CC[NH2+]CC2)c1 ZINC000415198485 563762532 /nfs/dbraw/zinc/76/25/32/563762532.db2.gz XEFLMEWMBBUGPV-UHFFFAOYSA-N 1 0 376.448 2.676 20 0 GFADRO CC1(C)[C@@H]2OCCC[C@H]2[C@]1([NH3+])C(=O)N1CCc2cc(Br)ccc21 ZINC000364728564 563762695 /nfs/dbraw/zinc/76/26/95/563762695.db2.gz BPPUWCKMVHVERP-SIIHOXLZSA-N 1 0 379.298 2.871 20 0 GFADRO C[C@@H]([NH3+])[C@H](C)NC(=O)Nc1ccc(CCn2cc(Br)cn2)cc1 ZINC000415219610 563763207 /nfs/dbraw/zinc/76/32/07/563763207.db2.gz YFFXGTOWHLDCFF-NEPJUHHUSA-N 1 0 380.290 2.746 20 0 GFADRO O=C(NCC[C@H]1CCC[NH2+]1)Nc1ccc(F)cc1I ZINC000415255077 563763998 /nfs/dbraw/zinc/76/39/98/563763998.db2.gz UPQBNNVBHWMIJK-SNVBAGLBSA-N 1 0 377.201 2.694 20 0 GFADRO CC1(C)[NH2+]CC[C@H]1NC(=O)Nc1ccc(F)cc1I ZINC000415255384 563764266 /nfs/dbraw/zinc/76/42/66/563764266.db2.gz VDRPATXGNYNJQU-LLVKDONJSA-N 1 0 377.201 2.692 20 0 GFADRO CCOc1cc(Br)ccc1NC(=O)C(=O)NCC1([NH3+])CCCCC1 ZINC000415284379 563765260 /nfs/dbraw/zinc/76/52/60/563765260.db2.gz VWZXCYZCHZETDQ-UHFFFAOYSA-N 1 0 398.301 2.564 20 0 GFADRO C[NH2+]C[C@H]1CCCN(C(=O)C(=O)Nc2nc(-c3ccc(C)s3)cs2)C1 ZINC000415278683 563765318 /nfs/dbraw/zinc/76/53/18/563765318.db2.gz GKVNYYDHBIIVBU-GFCCVEGCSA-N 1 0 378.523 2.577 20 0 GFADRO C[NH2+]C[C@H]1CCCN(C(=O)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000415284537 563765440 /nfs/dbraw/zinc/76/54/40/563765440.db2.gz PWDGCTCIEVPPFZ-SNVBAGLBSA-N 1 0 377.794 2.755 20 0 GFADRO O=C(Nc1cc(Cl)c(Cl)cc1Cl)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000441955735 563766382 /nfs/dbraw/zinc/76/63/82/563766382.db2.gz MCFAWPJRLVNAPQ-QMMMGPOBSA-N 1 0 376.671 2.938 20 0 GFADRO [NH3+]CC1CCN(C(=O)C(=O)Nc2cccc(Cl)c2SCC(F)F)CC1 ZINC000415308475 563766889 /nfs/dbraw/zinc/76/68/89/563766889.db2.gz XPCAKPVLOXFAED-UHFFFAOYSA-N 1 0 391.871 2.833 20 0 GFADRO CC(C)(CC(N)=O)[NH2+]CC(=O)N1CCc2sccc2[C@@H]1c1cccs1 ZINC000364881940 563767271 /nfs/dbraw/zinc/76/72/71/563767271.db2.gz OWDIGVAUSXBAKC-QGZVFWFLSA-N 1 0 377.535 2.527 20 0 GFADRO COC(=O)c1cc(Br)ccc1NC(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000415325031 563767383 /nfs/dbraw/zinc/76/73/83/563767383.db2.gz FMNDJGJIJXYRPW-NSHDSACASA-N 1 0 384.274 2.828 20 0 GFADRO C[C@@H](CO)[N@@H+]1CCCN(Cc2coc(-c3ccc(Br)cc3)n2)CC1 ZINC000364900000 563767979 /nfs/dbraw/zinc/76/79/79/563767979.db2.gz XXLAWTGHFQZKFI-AWEZNQCLSA-N 1 0 394.313 2.993 20 0 GFADRO C[C@H]1C[C@@H](NC(=O)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)CC[N@@H+]1C ZINC000442143491 563768325 /nfs/dbraw/zinc/76/83/25/563768325.db2.gz GYLJYTWJUZQDTO-ONGXEEELSA-N 1 0 377.794 2.896 20 0 GFADRO C[C@@](C[NH3+])(NC(=O)Nc1cnn(-c2ccccc2Br)c1)C1CC1 ZINC000415351446 563769459 /nfs/dbraw/zinc/76/94/59/563769459.db2.gz IAMWPMCTRYJBNP-INIZCTEOSA-N 1 0 378.274 2.884 20 0 GFADRO C[C@@H]1CN(C(=O)Nc2cnn(-c3ccccc3Br)c2)[C@@H](C)C[NH2+]1 ZINC000415351207 563769554 /nfs/dbraw/zinc/76/95/54/563769554.db2.gz HUSSEASNSFLMHH-NEPJUHHUSA-N 1 0 378.274 2.849 20 0 GFADRO O=C(NC[C@@H]1CCC[NH2+]C1)Nc1cnn(-c2ccccc2Br)c1 ZINC000415358403 563770233 /nfs/dbraw/zinc/77/02/33/563770233.db2.gz UACLOTNQADSDGN-GFCCVEGCSA-N 1 0 378.274 2.756 20 0 GFADRO C[C@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]CCn1cc(Br)cn1 ZINC000364958431 563770354 /nfs/dbraw/zinc/77/03/54/563770354.db2.gz ZGMTWBHOFRRPMU-YOEHRIQHSA-N 1 0 378.318 2.541 20 0 GFADRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)Nc1cccc(F)c1I ZINC000415364253 563770588 /nfs/dbraw/zinc/77/05/88/563770588.db2.gz RTDLXAYJGDBXAG-GZMMTYOYSA-N 1 0 377.201 2.550 20 0 GFADRO COC(=O)c1cc(Br)cc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c1 ZINC000292025766 563770590 /nfs/dbraw/zinc/77/05/90/563770590.db2.gz ZWBSFLMSTHMUOT-BLLLJJGKSA-N 1 0 395.297 2.792 20 0 GFADRO O=C(Nc1cccc(F)c1I)N[C@@H]1C[NH2+]CCC1(F)F ZINC000415363113 563770725 /nfs/dbraw/zinc/77/07/25/563770725.db2.gz QFROHJSZAQFANO-SECBINFHSA-N 1 0 399.154 2.549 20 0 GFADRO O=C(Nc1cccc(F)c1I)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000415367419 563771365 /nfs/dbraw/zinc/77/13/65/563771365.db2.gz YEFUQIHQUKIRNY-NXEZZACHSA-N 1 0 389.212 2.504 20 0 GFADRO CC[C@H](C)Sc1ccc(NC(=O)C(=O)NCC[NH2+]C)c(C(F)(F)F)c1 ZINC000415365815 563771398 /nfs/dbraw/zinc/77/13/98/563771398.db2.gz WPRAEZTVYJBSHW-JTQLQIEISA-N 1 0 377.432 2.870 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000415387015 563772054 /nfs/dbraw/zinc/77/20/54/563772054.db2.gz PWGBSRLDNPLEAN-LBPRGKRZSA-N 1 0 382.302 2.590 20 0 GFADRO COc1ccc(C(=O)N[C@H](C)CCCC[NH3+])c(I)c1 ZINC000292057646 563772170 /nfs/dbraw/zinc/77/21/70/563772170.db2.gz JVIOTPGIUUCVMX-SNVBAGLBSA-N 1 0 376.238 2.547 20 0 GFADRO C[C@H](CCCC[NH3+])NC(=O)c1ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c1 ZINC000292068569 563772797 /nfs/dbraw/zinc/77/27/97/563772797.db2.gz KWBCJETZBRFYQX-GFCCVEGCSA-N 1 0 389.949 2.664 20 0 GFADRO O=C(NCC[C@H]1CCC[NH2+]C1)C(=O)Nc1ccc(Cl)cc1Br ZINC000415407342 563773137 /nfs/dbraw/zinc/77/31/37/563773137.db2.gz PNBAISNZDBZVLS-SNVBAGLBSA-N 1 0 388.693 2.547 20 0 GFADRO COC(=O)c1cc(NC(=O)NC[C@H]2CCC[C@H]([NH3+])C2)ccc1Br ZINC000415412479 563773610 /nfs/dbraw/zinc/77/36/10/563773610.db2.gz XKYIOFAHLIDYSD-QWRGUYRKSA-N 1 0 384.274 2.875 20 0 GFADRO O=C(NCC[C@H]1CC[NH2+]C1)C(=O)Nc1ccc(-c2ccc(Cl)s2)nc1 ZINC000415414125 563773644 /nfs/dbraw/zinc/77/36/44/563773644.db2.gz ZGWSHQJKEJSFRW-LLVKDONJSA-N 1 0 378.885 2.518 20 0 GFADRO C[C@H]([NH2+][C@H](CO)c1ccc(Br)cc1)C(=O)NCc1cccs1 ZINC000292116876 563774802 /nfs/dbraw/zinc/77/48/02/563774802.db2.gz HQJUSVIMBMIRQM-XHDPSFHLSA-N 1 0 383.311 2.839 20 0 GFADRO Cc1ccc(NC(=O)C(=O)N[C@H](C[NH3+])C2CCCCC2)c(Br)c1 ZINC000415425487 563774972 /nfs/dbraw/zinc/77/49/72/563774972.db2.gz LCFHDWCMMCSLDM-OAHLLOKOSA-N 1 0 382.302 2.720 20 0 GFADRO C[C@@H]1CCN(C(=O)Nc2ccc(S(C)(=O)=O)c(C(F)F)c2)[C@@H](C[NH3+])C1 ZINC000415425153 563775130 /nfs/dbraw/zinc/77/51/30/563775130.db2.gz BYOYAQPQOMGUPL-ZYHUDNBSSA-N 1 0 375.441 2.619 20 0 GFADRO C[C@@H]([NH2+][C@@H](CO)c1ccc(Br)cc1)C(=O)NCCc1cccs1 ZINC000292128762 563775477 /nfs/dbraw/zinc/77/54/77/563775477.db2.gz IMXIMJOUNMVCET-WBMJQRKESA-N 1 0 397.338 2.881 20 0 GFADRO CC(C)[C@@H](CNC(=O)[C@@H](C)c1cccc(Br)c1)[NH+]1CCN(C)CC1 ZINC000292144562 563775970 /nfs/dbraw/zinc/77/59/70/563775970.db2.gz OYTJWIHIJSVRJO-MAUKXSAKSA-N 1 0 396.373 2.941 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)Nc2ccc(Cl)cc2Br)C1 ZINC000415447753 563776213 /nfs/dbraw/zinc/77/62/13/563776213.db2.gz QESDROLHYHGOJS-ZJUUUORDSA-N 1 0 388.693 2.627 20 0 GFADRO C[C@@H](C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1)c1cccc(Br)c1 ZINC000292186938 563777261 /nfs/dbraw/zinc/77/72/61/563777261.db2.gz QOGYGBMIKJTINN-HUUCEWRRSA-N 1 0 381.314 2.733 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCN(C(=O)Nc2nnc(-c3cccc(Br)c3)s2)C1 ZINC000415492123 563778791 /nfs/dbraw/zinc/77/87/91/563778791.db2.gz AMYPVIZSYQKOSU-ONGXEEELSA-N 1 0 396.314 3.169 20 0 GFADRO COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000365278960 563779281 /nfs/dbraw/zinc/77/92/81/563779281.db2.gz XJPPZWNJYUHTOY-GHMZBOCLSA-N 1 0 386.279 2.684 20 0 GFADRO CCCN(C(=O)C(=O)Nc1cc(C)c(Br)c(C)c1)C1CC[NH2+]CC1 ZINC000415506710 563780243 /nfs/dbraw/zinc/78/02/43/563780243.db2.gz LFSZFZVYFUZYGA-UHFFFAOYSA-N 1 0 396.329 2.995 20 0 GFADRO CCCN(C(=O)C(=O)Nc1ccc(F)c(Br)c1)C1CC[NH2+]CC1 ZINC000415508005 563780283 /nfs/dbraw/zinc/78/02/83/563780283.db2.gz WWJAXIPHDNURRF-UHFFFAOYSA-N 1 0 386.265 2.517 20 0 GFADRO CCCN(C(=O)C(=O)Nc1nc(-c2cccs2)cs1)C1CC[NH2+]CC1 ZINC000415508498 563780462 /nfs/dbraw/zinc/78/04/62/563780462.db2.gz XXFGKTKTSVJZEP-UHFFFAOYSA-N 1 0 378.523 2.801 20 0 GFADRO Cc1c(C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)cnn1-c1cccc(Br)c1 ZINC000365363283 563780633 /nfs/dbraw/zinc/78/06/33/563780633.db2.gz YJVRINOIABENOK-SUMWQHHRSA-N 1 0 389.297 2.767 20 0 GFADRO Cc1csc(Sc2ccc(NC(=O)C(=O)NC[C@H](C)C[NH3+])cc2Cl)n1 ZINC000415511910 563780742 /nfs/dbraw/zinc/78/07/42/563780742.db2.gz RHWAFFVGPOTMGB-SECBINFHSA-N 1 0 398.941 2.906 20 0 GFADRO CSc1ccc(Cl)cc1NC(=O)C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000415512962 563780821 /nfs/dbraw/zinc/78/08/21/563780821.db2.gz DARUSZQASCYMOS-CQSZACIVSA-N 1 0 381.929 2.991 20 0 GFADRO [NH3+]CC[C@@H](NC(=O)Nc1nnc(-c2c(F)cccc2Cl)s1)C(F)F ZINC000415511348 563780902 /nfs/dbraw/zinc/78/09/02/563780902.db2.gz OJJMXVJDSNIRCA-MRVPVSSYSA-N 1 0 379.795 3.102 20 0 GFADRO C[C@@H]1C[N@@H+](C2CCN(C(=O)Cc3ccc(Br)cc3)CC2)CCO1 ZINC000365356303 563781072 /nfs/dbraw/zinc/78/10/72/563781072.db2.gz GXRZDIZOGVCQGL-CQSZACIVSA-N 1 0 381.314 2.703 20 0 GFADRO CC[NH2+][C@H](C)CNC(=O)Nc1ccnn1Cc1ccc(Br)cc1 ZINC000415520755 563781393 /nfs/dbraw/zinc/78/13/93/563781393.db2.gz BHABHQUNOBSVSS-GFCCVEGCSA-N 1 0 380.290 2.813 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)Nc2ccnn2Cc2ccccc2Br)C1 ZINC000415523875 563781823 /nfs/dbraw/zinc/78/18/23/563781823.db2.gz RMFITSJTJDWLNU-CHWSQXEVSA-N 1 0 392.301 2.895 20 0 GFADRO C[C@](C[NH3+])(NC(=O)Nc1ccnn1Cc1cccc(Br)c1)C1CC1 ZINC000415525391 563781852 /nfs/dbraw/zinc/78/18/52/563781852.db2.gz GDDLOGXXWXIJPS-QGZVFWFLSA-N 1 0 392.301 2.943 20 0 GFADRO CC1(C)[NH2+]CC[C@H]1NC(=O)Nc1ccnn1Cc1ccc(Br)cc1 ZINC000415524283 563782075 /nfs/dbraw/zinc/78/20/75/563782075.db2.gz HDYIZAAETGUCME-CQSZACIVSA-N 1 0 392.301 2.956 20 0 GFADRO CC[NH+]1CCC(N(C2CC2)S(=O)(=O)c2c(Cl)nc3ccccn32)CC1 ZINC000365404642 563782496 /nfs/dbraw/zinc/78/24/96/563782496.db2.gz SJTXIHQSRXPDIA-UHFFFAOYSA-N 1 0 382.917 2.625 20 0 GFADRO C[NH2+]C[C@@H]1CCN(C(=O)Nc2ccnn2Cc2ccc(Br)cc2)C1 ZINC000415534110 563783117 /nfs/dbraw/zinc/78/31/17/563783117.db2.gz UYWZOZVXZBPUFA-AWEZNQCLSA-N 1 0 392.301 2.767 20 0 GFADRO CO[C@H]1CCN(C(=O)Nc2cc(Br)c(F)cc2F)[C@H](C[NH3+])C1 ZINC000415554552 563784204 /nfs/dbraw/zinc/78/42/04/563784204.db2.gz HFCXYGODEGNRJB-IUCAKERBSA-N 1 0 378.217 2.697 20 0 GFADRO C[NH2+]CCC1CCN(C(=O)C(=O)Nc2ccc(C)cc2Br)CC1 ZINC000415557058 563784479 /nfs/dbraw/zinc/78/44/79/563784479.db2.gz WBEREUOSSBBCQS-UHFFFAOYSA-N 1 0 382.302 2.544 20 0 GFADRO [NH3+]C1(CNC(=O)C(=O)Nc2ccc(Br)c(Cl)c2Cl)CCC1 ZINC000415557382 563784658 /nfs/dbraw/zinc/78/46/58/563784658.db2.gz HUFDQMHOLKOQSK-UHFFFAOYSA-N 1 0 395.084 2.692 20 0 GFADRO COC[C@]1(CNC(=O)Nc2cc(F)cc(F)c2Br)CCC[NH2+]1 ZINC000415567485 563784697 /nfs/dbraw/zinc/78/46/97/563784697.db2.gz QGWDRBOSRLCSCT-CQSZACIVSA-N 1 0 378.217 2.617 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)C(=O)Nc2cccc(Cl)c2SCC(F)F)C1 ZINC000415565482 563784711 /nfs/dbraw/zinc/78/47/11/563784711.db2.gz IKONDMFHZRHYTE-ZJUUUORDSA-N 1 0 391.871 2.831 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)Nc2cnn(-c3ccc(Cl)cc3Cl)c2)CCCO1 ZINC000415576536 563785079 /nfs/dbraw/zinc/78/50/79/563785079.db2.gz WBZMPMSHFGGNFY-CYBMUJFWSA-N 1 0 384.267 2.761 20 0 GFADRO COc1c(Cl)cc(NC(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc1Cl ZINC000415577517 563785090 /nfs/dbraw/zinc/78/50/90/563785090.db2.gz HHHDVBOJRNXLLF-CHIMOYNISA-N 1 0 386.279 2.526 20 0 GFADRO C[C@@]1(CNC(=O)C(=O)Nc2cccc(Cl)c2Br)CCC[NH2+]C1 ZINC000415584515 563785827 /nfs/dbraw/zinc/78/58/27/563785827.db2.gz SUFNNOLJRSZMBM-OAHLLOKOSA-N 1 0 388.693 2.547 20 0 GFADRO C[NH2+][C@@H]1CCCN(C(=O)Nc2cc(Br)c(F)c(C(=O)OC)c2)C1 ZINC000415603514 563786783 /nfs/dbraw/zinc/78/67/83/563786783.db2.gz DIGMZVQWYYYBIQ-SECBINFHSA-N 1 0 388.237 2.591 20 0 GFADRO COC(=O)c1c(Br)ccc(NC(=O)N[C@H]2CC[NH2+]C[C@H]2C)c1C ZINC000415602649 563786792 /nfs/dbraw/zinc/78/67/92/563786792.db2.gz SEPNJXXZHLDRES-SKDRFNHKSA-N 1 0 384.274 2.664 20 0 GFADRO COC(=O)c1c(C)c(NC(=O)N2CC[C@@](C)(C[NH3+])C2)ccc1Br ZINC000415601063 563786968 /nfs/dbraw/zinc/78/69/68/563786968.db2.gz PHSWCABUFDAHRN-INIZCTEOSA-N 1 0 384.274 2.747 20 0 GFADRO CN1CCO[C@H]([C@@H](NC(=O)NC[C@H]2CCSC2)c2ccc(Cl)cc2)C1 ZINC000365551917 563786974 /nfs/dbraw/zinc/78/69/74/563786974.db2.gz FFTNDCVQUGKKPX-COXVUDFISA-N 1 0 383.945 2.764 20 0 GFADRO CC(C)n1cc(Br)cc1C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000365584226 563787693 /nfs/dbraw/zinc/78/76/93/563787693.db2.gz KWGWJIKYUYZNTN-OAHLLOKOSA-N 1 0 397.361 2.730 20 0 GFADRO COC(=O)c1cccc(NC(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)c1Br ZINC000415616549 563788053 /nfs/dbraw/zinc/78/80/53/563788053.db2.gz UCSOPRQUTMOXOI-GHMZBOCLSA-N 1 0 384.274 2.875 20 0 GFADRO C[C@H](CC[NH3+])NC(=O)Nc1cc(Br)cc(C(=O)N2CCCC2)c1 ZINC000415636896 563789437 /nfs/dbraw/zinc/78/94/37/563789437.db2.gz LVZDPQZDMCAYFN-LLVKDONJSA-N 1 0 383.290 2.544 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C[N@@H+]1CC[C@@H]2C(=O)NC[C@@H]2C1 ZINC000365655047 563789854 /nfs/dbraw/zinc/78/98/54/563789854.db2.gz UBUHHWYELVHMGF-DYVFJYSZSA-N 1 0 389.297 2.511 20 0 GFADRO CC(C)[C@@H]([NH3+])CNC(=O)Nc1cc(Br)cc(C(=O)N2CCCC2)c1 ZINC000415644446 563789879 /nfs/dbraw/zinc/78/98/79/563789879.db2.gz ZMWVCFCHOFZGKS-HNNXBMFYSA-N 1 0 397.317 2.790 20 0 GFADRO Cc1cc(Br)cc(Cl)c1NC(=O)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000415639924 563790152 /nfs/dbraw/zinc/79/01/52/563790152.db2.gz DEYBQPQSNKNWLM-GHMZBOCLSA-N 1 0 388.693 2.736 20 0 GFADRO O=C(NCCCN1CC[NH2+]CC1)Nc1ccc(-c2ccc(Cl)s2)nc1 ZINC000415694824 563791423 /nfs/dbraw/zinc/79/14/23/563791423.db2.gz VYHVRGAIXVBPRO-UHFFFAOYSA-N 1 0 379.917 2.880 20 0 GFADRO Cc1cc(Cl)cc(NC(=O)C(=O)N2CC[C@@](C)(C[NH3+])C2)c1Br ZINC000415694358 563791534 /nfs/dbraw/zinc/79/15/34/563791534.db2.gz QXYWLYKRGZBRAN-HNNXBMFYSA-N 1 0 388.693 2.547 20 0 GFADRO CNC(=O)c1cccc(NC(=O)NCC2([NH3+])CCCCCC2)c1Br ZINC000415707074 563791967 /nfs/dbraw/zinc/79/19/67/563791967.db2.gz LVXZXPAGAGXOLO-UHFFFAOYSA-N 1 0 397.317 2.982 20 0 GFADRO Cc1cc(I)cc(NC(=O)N[C@H](CC[NH3+])C(F)F)c1 ZINC000415708389 563792680 /nfs/dbraw/zinc/79/26/80/563792680.db2.gz LIXFQMJFNUMKCJ-SNVBAGLBSA-N 1 0 383.180 2.704 20 0 GFADRO O=C(NCCCN1CC[NH2+]CC1)Nc1cc(F)c(Br)c(Cl)c1 ZINC000415714346 563793317 /nfs/dbraw/zinc/79/33/17/563793317.db2.gz YAJCMYHGQAPHDH-UHFFFAOYSA-N 1 0 393.688 2.658 20 0 GFADRO CO[C@@H]1CCN(C(=O)Nc2cccc3cc(Br)cnc32)[C@@H](C[NH3+])C1 ZINC000415735701 563793974 /nfs/dbraw/zinc/79/39/74/563793974.db2.gz ZLBDBGHEMHODLG-ZIAGYGMSSA-N 1 0 393.285 2.967 20 0 GFADRO CCSc1cccc(Br)c1NC(=O)NC[C@H]1C[NH2+]CCN1C ZINC000415758634 563795135 /nfs/dbraw/zinc/79/51/35/563795135.db2.gz HTIHHOHFMGSLPE-LLVKDONJSA-N 1 0 387.347 2.586 20 0 GFADRO [NH3+][C@H]1CCCN(C(=O)Nc2cc(Cl)ccc2I)C1 ZINC000415760224 563795262 /nfs/dbraw/zinc/79/52/62/563795262.db2.gz RUZBFIBXUQWBRC-VIFPVBQESA-N 1 0 379.629 2.900 20 0 GFADRO Cn1ncc(CCC[NH2+]Cc2nc(-c3ccc(Br)cc3)c[nH]2)n1 ZINC000292825824 563796474 /nfs/dbraw/zinc/79/64/74/563796474.db2.gz AFXBWJRMCXXOOI-UHFFFAOYSA-N 1 0 375.274 2.690 20 0 GFADRO CO[C@@H]1CCN(C(=O)Nc2cccc3c(Br)ccnc23)[C@H](C[NH3+])C1 ZINC000415794297 563796825 /nfs/dbraw/zinc/79/68/25/563796825.db2.gz VRGXFFOXIVMEMP-NWDGAFQWSA-N 1 0 393.285 2.967 20 0 GFADRO [NH3+]C[C@H](NC(=O)C(=O)Nc1cccc(Br)c1Cl)C1CCCC1 ZINC000415822021 563798175 /nfs/dbraw/zinc/79/81/75/563798175.db2.gz JTXKCXIUCIUGFW-LBPRGKRZSA-N 1 0 388.693 2.675 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000415825452 563798332 /nfs/dbraw/zinc/79/83/32/563798332.db2.gz ZUQPWSYGVZYZIE-CQSZACIVSA-N 1 0 382.302 2.638 20 0 GFADRO [NH3+]CCCNC(=O)Nc1cnn(Cc2ccc(Br)cc2Cl)c1 ZINC000415825932 563798806 /nfs/dbraw/zinc/79/88/06/563798806.db2.gz ZJVSDBUWQCIVRO-UHFFFAOYSA-N 1 0 386.681 2.818 20 0 GFADRO O[C@@H](COc1cc(Cl)ccc1Cl)CN1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000366092356 563799330 /nfs/dbraw/zinc/79/93/30/563799330.db2.gz DRPSKPYNJBWFDO-HUUCEWRRSA-N 1 0 391.364 2.856 20 0 GFADRO O=C(Nc1ccc2c(c1)C[NH2+]CC2)N[C@H](CO)c1ccc(Br)cc1 ZINC000415890365 563800578 /nfs/dbraw/zinc/80/05/78/563800578.db2.gz DKDCGIYGTNBINW-QGZVFWFLSA-N 1 0 390.281 2.950 20 0 GFADRO CC(C)n1cc(Br)cc1C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000366201896 563801187 /nfs/dbraw/zinc/80/11/87/563801187.db2.gz MZNVMRDPGUQSKP-HNNXBMFYSA-N 1 0 384.318 2.815 20 0 GFADRO [NH3+]Cc1ccc(NC(=O)N2CCC(n3cc(Br)cn3)CC2)cc1 ZINC000415980575 563801350 /nfs/dbraw/zinc/80/13/50/563801350.db2.gz STKGTFXZRGMHKS-UHFFFAOYSA-N 1 0 378.274 2.973 20 0 GFADRO C[C@H](Cc1ccc(Br)cc1)NC(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000415997300 563801588 /nfs/dbraw/zinc/80/15/88/563801588.db2.gz RLGSHNJSDXHWQJ-SKDRFNHKSA-N 1 0 382.224 2.959 20 0 GFADRO [NH3+]CC[C@@H](NC(=O)N1CCc2c(Br)cccc2C1)C(F)(F)F ZINC000415998817 563802077 /nfs/dbraw/zinc/80/20/77/563802077.db2.gz VBNWIRPKMYEUIW-GFCCVEGCSA-N 1 0 380.208 2.797 20 0 GFADRO COc1ccc(CNC(=O)N[C@H](CC[NH3+])C(F)(F)F)cc1Br ZINC000416004860 563802082 /nfs/dbraw/zinc/80/20/82/563802082.db2.gz IZMSKTJAQIMSRI-LLVKDONJSA-N 1 0 384.196 2.537 20 0 GFADRO C[C@@H]([NH2+]C[C@H]1CCCN(S(C)(=O)=O)C1)c1ccc(Br)s1 ZINC000443347096 563802180 /nfs/dbraw/zinc/80/21/80/563802180.db2.gz QWMAMEOIKFRPHF-GHMZBOCLSA-N 1 0 381.361 2.833 20 0 GFADRO C[C@H](CNC(=O)N[C@@H](CC[NH3+])C(F)(F)F)Oc1ccc(Br)cc1 ZINC000416016719 563802568 /nfs/dbraw/zinc/80/25/68/563802568.db2.gz XMGOPXGFLNDQOQ-SKDRFNHKSA-N 1 0 398.223 2.795 20 0 GFADRO CC[C@](C)(COc1ncccc1Cl)NC(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000416029337 563802935 /nfs/dbraw/zinc/80/29/35/563802935.db2.gz LEMBNMIEGMMWSK-BXUZGUMPSA-N 1 0 382.814 2.861 20 0 GFADRO O=C(NC[C@@H]1CSCCS1)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000366299820 563804698 /nfs/dbraw/zinc/80/46/98/563804698.db2.gz CUHWEIWOKVAVCG-JXQTWKCFSA-N 1 0 397.532 2.940 20 0 GFADRO CC[N@@H+]1CC[C@H](CNC(=O)C2(c3cc(Br)ccc3OC)CC2)C1 ZINC000416127027 563805824 /nfs/dbraw/zinc/80/58/24/563805824.db2.gz CJUWPZYWIGAGLP-CYBMUJFWSA-N 1 0 381.314 2.947 20 0 GFADRO COCC[N@H+](C)CCCNC(=O)Cc1cc(Cl)c(Br)cc1F ZINC000416127335 563806054 /nfs/dbraw/zinc/80/60/54/563806054.db2.gz FJQYKLKEYMHWCB-UHFFFAOYSA-N 1 0 395.700 2.869 20 0 GFADRO COc1ccc(Br)cc1C1(C(=O)NC[C@@H](C2CC2)[NH+](C)C)CC1 ZINC000416135184 563806579 /nfs/dbraw/zinc/80/65/79/563806579.db2.gz QERFWASJHKMECX-HNNXBMFYSA-N 1 0 381.314 2.946 20 0 GFADRO COCCC[N@H+](C)CCNC(=O)Cc1cc(Cl)c(Br)cc1F ZINC000416157148 563807731 /nfs/dbraw/zinc/80/77/31/563807731.db2.gz QMXCYGXVNSDAAC-UHFFFAOYSA-N 1 0 395.700 2.869 20 0 GFADRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1nn(C)cc1Br ZINC000293311439 563808122 /nfs/dbraw/zinc/80/81/22/563808122.db2.gz ITBNUKCXQKYZGV-BBRMVZONSA-N 1 0 391.313 2.823 20 0 GFADRO CC[C@H](N[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000366457072 563808774 /nfs/dbraw/zinc/80/87/74/563808774.db2.gz GTXSSEHRAIJBRC-ZOBUZTSGSA-N 1 0 385.961 2.916 20 0 GFADRO O=S(=O)(c1ccc(F)cc1Br)N1CCC[C@@H]2C[NH2+]CCC[C@H]21 ZINC000366484925 563809720 /nfs/dbraw/zinc/80/97/20/563809720.db2.gz RRGWHAJIAJRDMR-BXUZGUMPSA-N 1 0 391.306 2.741 20 0 GFADRO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)CCOc1cccc(Cl)c1Cl ZINC000416296207 563814290 /nfs/dbraw/zinc/81/42/90/563814290.db2.gz NLOLOLSRJPNDKE-STQMWFEESA-N 1 0 375.296 2.676 20 0 GFADRO C[NH+](C)C1(CNC(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000416305115 563815602 /nfs/dbraw/zinc/81/56/02/563815602.db2.gz WGKPIXFZYRTVNL-HNNXBMFYSA-N 1 0 384.307 2.808 20 0 GFADRO C[C@@H]1CCC[N@@H+]1C1CCN([C@@H](C(N)=O)c2ccc(Br)cc2)CC1 ZINC000366620164 563816129 /nfs/dbraw/zinc/81/61/29/563816129.db2.gz NAINERYSPINNIZ-CXAGYDPISA-N 1 0 380.330 2.924 20 0 GFADRO O=S(=O)(CCN1CC[C@@H]([C@H]2CCOC2)C1)c1cccc(Br)c1 ZINC000366658387 563816913 /nfs/dbraw/zinc/81/69/13/563816913.db2.gz SUVFWNSURNDWCN-KGLIPLIRSA-N 1 0 388.327 2.581 20 0 GFADRO CCOC1CC(O)(C[NH2+]Cc2cn(-c3ccc(Br)cc3)nc2C)C1 ZINC000444007866 563817756 /nfs/dbraw/zinc/81/77/56/563817756.db2.gz CQCYZIKZWNZYEX-UHFFFAOYSA-N 1 0 394.313 2.963 20 0 GFADRO CCOC(=O)c1cc(Cl)cc(S(=O)(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000293602704 563820410 /nfs/dbraw/zinc/82/04/10/563820410.db2.gz XYCIQTPSDWMFBY-IUODEOHRSA-N 1 0 388.917 2.620 20 0 GFADRO CCC[NH+]1CCC(CNS(=O)(=O)c2cccc(Cl)c2C(=O)OC)CC1 ZINC000416382171 563820435 /nfs/dbraw/zinc/82/04/35/563820435.db2.gz IWVKKDOVENLWDA-UHFFFAOYSA-N 1 0 388.917 2.527 20 0 GFADRO CC[C@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1cc(Cl)c(OC)cc1OC ZINC000416384754 563821399 /nfs/dbraw/zinc/82/13/99/563821399.db2.gz FGVRDKHXSOSXEG-ZDUSSCGKSA-N 1 0 390.933 2.900 20 0 GFADRO Cc1cccc(Cl)c1S(=O)(=O)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000416388427 563821848 /nfs/dbraw/zinc/82/18/48/563821848.db2.gz VTUDPDXQJOJZBL-UHFFFAOYSA-N 1 0 386.945 2.771 20 0 GFADRO CCOC(=O)C[C@H](NC(=O)[C@H]1C[C@]12CC[NH2+]C2)c1ccc(Br)cc1 ZINC000444134202 563822481 /nfs/dbraw/zinc/82/24/81/563822481.db2.gz XQAYYEUXCPDIBD-VKJFTORMSA-N 1 0 395.297 2.559 20 0 GFADRO CCO[C@@H]1C[C@@]([NH3+])(C(=O)NCc2cc(OC)ccc2Br)C1(C)C ZINC000444143018 563822669 /nfs/dbraw/zinc/82/26/69/563822669.db2.gz QEHJUTVWXPZTTE-RHSMWYFYSA-N 1 0 385.302 2.606 20 0 GFADRO C[C@@H](Cn1cc(Br)cn1)[NH2+]Cc1cccc(N2CCOCC2)c1 ZINC000293750292 563822956 /nfs/dbraw/zinc/82/29/56/563822956.db2.gz QGEZEIBUPABAOP-AWEZNQCLSA-N 1 0 379.302 2.661 20 0 GFADRO Cc1cc(S(=O)(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)c(F)cc1Br ZINC000416408155 563823678 /nfs/dbraw/zinc/82/36/78/563823678.db2.gz OFQQKAWEQJBQAV-WDEREUQCSA-N 1 0 379.295 2.658 20 0 GFADRO C[C@H](NC(=O)[C@@H]1C[C@@]12CC[NH2+]C2)c1nc(-c2ccc(Br)cc2)no1 ZINC000444201223 563824108 /nfs/dbraw/zinc/82/41/08/563824108.db2.gz DIOJUKNSLYSCIB-SIMVJXQJSA-N 1 0 391.269 2.676 20 0 GFADRO C[NH+]1CCC(CNC(=O)N[C@@H]2CCOc3c(Br)cccc32)CC1 ZINC000367111795 563831236 /nfs/dbraw/zinc/83/12/36/563831236.db2.gz BOHFLTDBOHJMLX-OAHLLOKOSA-N 1 0 382.302 2.914 20 0 GFADRO C[C@]([NH3+])(C(=O)NCCCNc1ccccn1)c1ccc(Br)cc1 ZINC000294110840 563831651 /nfs/dbraw/zinc/83/16/51/563831651.db2.gz OKWWKWMMPDXPDE-QGZVFWFLSA-N 1 0 377.286 2.636 20 0 GFADRO C[C@H]1CN(C(=O)c2c[nH]nc2-c2ccc(Cl)s2)CC[N@@H+]1CC(C)(C)O ZINC000444551981 563833317 /nfs/dbraw/zinc/83/33/17/563833317.db2.gz OPXNVCSTRRTGSW-NSHDSACASA-N 1 0 382.917 2.709 20 0 GFADRO C[C@H]([NH2+]CC(=O)NCC(=O)OC(C)(C)C)c1ccc(Br)s1 ZINC000444774155 563836812 /nfs/dbraw/zinc/83/68/12/563836812.db2.gz VKCYPHQCNPKGPZ-VIFPVBQESA-N 1 0 377.304 2.619 20 0 GFADRO COc1cc(OC)c(S(=O)(=O)N2C[C@H]([NH+]3CCCC3)C[C@H]2C)cc1Cl ZINC000416488801 563837303 /nfs/dbraw/zinc/83/73/03/563837303.db2.gz PPRXFYDFLILHDH-CHWSQXEVSA-N 1 0 388.917 2.605 20 0 GFADRO COc1cc(OC)c(S(=O)(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1Cl ZINC000416491203 563837974 /nfs/dbraw/zinc/83/79/74/563837974.db2.gz YJPYGGLLHPAXCG-FUNVUKJBSA-N 1 0 388.917 2.603 20 0 GFADRO COc1cc(Br)c(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1OC ZINC000294341594 563838918 /nfs/dbraw/zinc/83/89/18/563838918.db2.gz FMIKTOBGJIUHTM-KBPBESRZSA-N 1 0 383.286 2.823 20 0 GFADRO C[C@H](NC(=O)Nc1ccn(CC[NH+](C)C)n1)c1ccc(Br)s1 ZINC000444870175 563838961 /nfs/dbraw/zinc/83/89/61/563838961.db2.gz JDNWFTDMODVEPR-JTQLQIEISA-N 1 0 386.319 3.151 20 0 GFADRO CC(C)[NH+]1CCC(NC(=O)c2cccnc2-n2cc(Br)cn2)CC1 ZINC000294350389 563839531 /nfs/dbraw/zinc/83/95/31/563839531.db2.gz JDJDWUDNRPOVRR-UHFFFAOYSA-N 1 0 392.301 2.632 20 0 GFADRO Cc1ccc(S(=O)(=O)NCCCC[N@@H+](C)C2CC2)cc1Br ZINC000416505768 563840154 /nfs/dbraw/zinc/84/01/54/563840154.db2.gz FNUOATXISVUTOI-UHFFFAOYSA-N 1 0 375.332 2.910 20 0 GFADRO Cc1cc(S(=O)(=O)NCCCC[N@@H+](C)C2CC2)ccc1Br ZINC000416501408 563840229 /nfs/dbraw/zinc/84/02/29/563840229.db2.gz LGYSOZKULUSNLS-UHFFFAOYSA-N 1 0 375.332 2.910 20 0 GFADRO Cc1ccc(NC(=O)c2cnn(C)c2I)c(C[NH+](C)C)c1 ZINC000294439407 563842205 /nfs/dbraw/zinc/84/22/05/563842205.db2.gz VDQGFLVWSXVYMF-UHFFFAOYSA-N 1 0 398.248 2.647 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1CN1CCCO[C@H](C)C1 ZINC000294592171 563847688 /nfs/dbraw/zinc/84/76/88/563847688.db2.gz AAVHQTVAYHPHKJ-OLZOCXBDSA-N 1 0 385.302 2.573 20 0 GFADRO Cc1cccc(S(=O)(=O)NCC[C@@H]2CCC[N@@H+](C)C2)c1Br ZINC000416562303 563849366 /nfs/dbraw/zinc/84/93/66/563849366.db2.gz VYEWLOYZPDOODX-ZDUSSCGKSA-N 1 0 375.332 2.768 20 0 GFADRO FC(F)(F)[C@H](C[NH2+]C1CCN(Cc2cccs2)CC1)N1CCOCC1 ZINC000367712392 563852829 /nfs/dbraw/zinc/85/28/29/563852829.db2.gz JMYYODDEFMCZGQ-INIZCTEOSA-N 1 0 377.476 2.565 20 0 GFADRO CC(=O)N1CC[C@@H]([NH2+]CCn2cc(Br)cn2)c2ccccc2C1 ZINC000367704748 563852862 /nfs/dbraw/zinc/85/28/62/563852862.db2.gz GARCGJUCWIFFRN-QGZVFWFLSA-N 1 0 377.286 2.729 20 0 GFADRO CN1CC[NH+](C[C@@H]2CCCN(C[C@@H](O)c3ccc(Cl)cc3Cl)C2)CC1 ZINC000367767404 563854666 /nfs/dbraw/zinc/85/46/66/563854666.db2.gz LMARCDUPVZVADO-HNAYVOBHSA-N 1 0 386.367 2.986 20 0 GFADRO C[NH+](C)C1(CNC(=O)NCCC(=O)Nc2ccc(Br)cc2)CCC1 ZINC000445857681 563854728 /nfs/dbraw/zinc/85/47/28/563854728.db2.gz ORZRXHZYOXFGEY-UHFFFAOYSA-N 1 0 397.317 2.561 20 0 GFADRO O=C(C[NH+]1CCC(Cn2cc(Br)cn2)CC1)NC(C1CC1)C1CC1 ZINC000367789032 563855294 /nfs/dbraw/zinc/85/52/94/563855294.db2.gz BIPHDUMOLJYKKM-UHFFFAOYSA-N 1 0 395.345 2.662 20 0 GFADRO O=S(=O)(N[C@@H]1CC12CC[NH2+]CC2)c1c(Cl)cccc1Br ZINC000367831479 563857291 /nfs/dbraw/zinc/85/72/91/563857291.db2.gz IBXJJNISOSZERI-LLVKDONJSA-N 1 0 379.707 2.523 20 0 GFADRO C[C@H](N[C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@H]1C)c1ncc(Br)cn1 ZINC000367864213 563857768 /nfs/dbraw/zinc/85/77/68/563857768.db2.gz JTZJENGTVSXAPM-BFJAYTPKSA-N 1 0 383.334 2.779 20 0 GFADRO C[C@H](N[C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@@H]1C)c1ncc(Br)cn1 ZINC000367864216 563857785 /nfs/dbraw/zinc/85/77/85/563857785.db2.gz JTZJENGTVSXAPM-WMHQRMGPSA-N 1 0 383.334 2.779 20 0 GFADRO CSc1ccc([C@H](C)N2CCC([NH2+][C@H]3CCS(=O)(=O)C3)CC2)cc1F ZINC000368046157 563862750 /nfs/dbraw/zinc/86/27/50/563862750.db2.gz YYQWOJIMWPIXTQ-BBRMVZONSA-N 1 0 386.558 2.850 20 0 GFADRO O=C(N[C@@H]1CCSc2ccc(Cl)cc21)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000416923640 563862977 /nfs/dbraw/zinc/86/29/77/563862977.db2.gz WHOXSCTURZCWDD-GDBMZVCRSA-N 1 0 380.945 2.566 20 0 GFADRO COCCn1cc2c(n1)[C@H]([NH2+][C@@H](C)Cn1cc(Br)cn1)CCC2 ZINC000368187203 563866145 /nfs/dbraw/zinc/86/61/45/563866145.db2.gz DLAWRZIZTMCVTI-SWLSCSKDSA-N 1 0 382.306 2.544 20 0 GFADRO [NH3+]CCCOC1CCN(C(=O)NCc2cc(Br)ccc2F)CC1 ZINC000417062186 563866960 /nfs/dbraw/zinc/86/69/60/563866960.db2.gz GUKQUTWVJLIGHC-UHFFFAOYSA-N 1 0 388.281 2.628 20 0 GFADRO CO[C@@H]1CCN(C(=O)N[C@@H](C)Cc2ccc(Br)cc2)[C@H](C[NH3+])C1 ZINC000417097961 563867985 /nfs/dbraw/zinc/86/79/85/563867985.db2.gz FCPSFTBWQDGZKH-VBNZEHGJSA-N 1 0 384.318 2.528 20 0 GFADRO COc1ccc(Br)c(CNC(=O)N2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000417144319 563868983 /nfs/dbraw/zinc/86/89/83/563868983.db2.gz VHDVHARUUGVEQU-QGZVFWFLSA-N 1 0 382.302 2.743 20 0 GFADRO C[C@H](CC(=O)N(C)C)[NH2+]Cc1ccc(Cl)cc1I ZINC000446847289 563869199 /nfs/dbraw/zinc/86/91/99/563869199.db2.gz KXBFEBHLXYRREU-SECBINFHSA-N 1 0 380.657 2.901 20 0 GFADRO C[N@@H+]1CC[C@]2(CCN(C(=O)Nc3ccccc3I)C2)C1 ZINC000368387740 563869826 /nfs/dbraw/zinc/86/98/26/563869826.db2.gz MASHWGDLRASPAG-HNNXBMFYSA-N 1 0 385.249 2.851 20 0 GFADRO [NH3+][C@@H](CNC(=O)NCC1(c2cccc(Br)c2)CCOCC1)C1CC1 ZINC000417176187 563870512 /nfs/dbraw/zinc/87/05/12/563870512.db2.gz KDWYGLKVEJNFIT-INIZCTEOSA-N 1 0 396.329 2.534 20 0 GFADRO CN(C(=O)NCC1(c2cccc(Br)c2)CCOCC1)C1CC([NH3+])C1 ZINC000417177200 563870584 /nfs/dbraw/zinc/87/05/84/563870584.db2.gz LKLLQUNSOWDWPI-UHFFFAOYSA-N 1 0 396.329 2.628 20 0 GFADRO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(C(=O)c2c(Cl)cc(F)cc2Cl)CC1 ZINC000368438956 563870590 /nfs/dbraw/zinc/87/05/90/563870590.db2.gz PIKKLPFXKHRRNS-AWEZNQCLSA-N 1 0 388.270 2.687 20 0 GFADRO C[C@H](NC(=O)NCCC[NH2+]C1CC1)c1cc2c(cc1Br)OCCO2 ZINC000417177235 563870642 /nfs/dbraw/zinc/87/06/42/563870642.db2.gz LPSFLAFANUVLAB-NSHDSACASA-N 1 0 398.301 2.723 20 0 GFADRO C[C@H](NC(=O)N[C@H]1CCC[C@@H]([NH3+])C1)c1cc2c(cc1Br)OCCO2 ZINC000417189266 563871954 /nfs/dbraw/zinc/87/19/54/563871954.db2.gz YLAUNNZMWCXHNP-TUAOUCFPSA-N 1 0 398.301 2.850 20 0 GFADRO CCCN(C(=O)NCc1cn2cc(Br)ccc2n1)C1CC[NH2+]CC1 ZINC000417216206 563873814 /nfs/dbraw/zinc/87/38/14/563873814.db2.gz JHTNIZBIJXFZNT-UHFFFAOYSA-N 1 0 394.317 2.770 20 0 GFADRO [NH3+]CC[C@@H]1CCCN(C(=O)NCCC(=O)Nc2ccc(Br)cc2)C1 ZINC000417229234 563874794 /nfs/dbraw/zinc/87/47/94/563874794.db2.gz SUBJPSRZPBRBIS-ZDUSSCGKSA-N 1 0 397.317 2.548 20 0 GFADRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)NC[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000417268614 563875909 /nfs/dbraw/zinc/87/59/09/563875909.db2.gz ZQMICGPGRZBHHQ-ILXRZTDVSA-N 1 0 395.345 2.654 20 0 GFADRO COC[C@@H](C)OC[C@@H](O)C[N@H+](Cc1cc(Br)ccc1F)C1CC1 ZINC000447176188 563876442 /nfs/dbraw/zinc/87/64/42/563876442.db2.gz JPJCDRWSGRPFGA-WBMJQRKESA-N 1 0 390.293 2.965 20 0 GFADRO COC[C@H](C)OC[C@H](O)C[N@H+](Cc1cc(Br)ccc1F)C1CC1 ZINC000447176185 563876488 /nfs/dbraw/zinc/87/64/88/563876488.db2.gz JPJCDRWSGRPFGA-BLLLJJGKSA-N 1 0 390.293 2.965 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)NCCOc3ccc(Br)cc3)C[C@H]21 ZINC000417318828 563878261 /nfs/dbraw/zinc/87/82/61/563878261.db2.gz MLBUWAWIZYLLAM-DAXOMENPSA-N 1 0 382.302 2.597 20 0 GFADRO COCC1(CNC(=O)N[C@H](C)c2ccc(Br)cc2)CC[NH2+]CC1 ZINC000417311968 563878360 /nfs/dbraw/zinc/87/83/60/563878360.db2.gz MVDAKKOXZSPAOR-CYBMUJFWSA-N 1 0 384.318 2.826 20 0 GFADRO C[C@@H](NC(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1)c1cc(Cl)ccc1Cl ZINC000417367565 563878532 /nfs/dbraw/zinc/87/85/32/563878532.db2.gz NYWFEEUOLSZVTO-NEPJUHHUSA-N 1 0 387.311 2.551 20 0 GFADRO CC(C)(CNC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1cccc(Br)c1 ZINC000417418300 563879595 /nfs/dbraw/zinc/87/95/95/563879595.db2.gz BBHHVLYPASQUOK-ZIAGYGMSSA-N 1 0 380.330 2.978 20 0 GFADRO COC[C@@H](C)OC[C@H](O)C[N@@H+]1CCCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000447297985 563879698 /nfs/dbraw/zinc/87/96/98/563879698.db2.gz ZZSYVOFVIKXHIQ-GDBMZVCRSA-N 1 0 391.339 2.918 20 0 GFADRO C[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000417422938 563880041 /nfs/dbraw/zinc/88/00/41/563880041.db2.gz LZTGGIBZKXWABS-CZUORRHYSA-N 1 0 385.339 2.614 20 0 GFADRO C[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000417429489 563880234 /nfs/dbraw/zinc/88/02/34/563880234.db2.gz VNNUYKPSXMLQBN-CZUORRHYSA-N 1 0 385.339 2.614 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H](NC(=O)N[C@H]2CCN(c3ccc(Br)cc3)C2)C1 ZINC000417475421 563880452 /nfs/dbraw/zinc/88/04/52/563880452.db2.gz AXURQHUEYHNULG-KFWWJZLASA-N 1 0 381.318 2.597 20 0 GFADRO COc1ccc(CNC(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1Br ZINC000368869795 563880766 /nfs/dbraw/zinc/88/07/66/563880766.db2.gz TWBNUBPDHLMMCJ-KGLIPLIRSA-N 1 0 382.302 2.884 20 0 GFADRO CCCC(=O)N1CSC[C@@H]1C(=O)NC1CC[NH+](Cc2cccs2)CC1 ZINC000368926593 563882291 /nfs/dbraw/zinc/88/22/91/563882291.db2.gz ILPYNNRXNYHWRA-MRXNPFEDSA-N 1 0 381.567 2.530 20 0 GFADRO CC[C@@H](Cc1ccccc1Br)C(=O)N1CCC[N@@H+]([C@@H](C)CO)CC1 ZINC000368971469 563882593 /nfs/dbraw/zinc/88/25/93/563882593.db2.gz BRXYOPMFGGHJPK-HOTGVXAUSA-N 1 0 397.357 2.933 20 0 GFADRO CC[C@@H](CO)[NH+]1CCN(C(=O)Nc2cc(C)c(Br)c(F)c2)CC1 ZINC000417553527 563882734 /nfs/dbraw/zinc/88/27/34/563882734.db2.gz USIBWBNDRKMYHN-ZDUSSCGKSA-N 1 0 388.281 2.817 20 0 GFADRO COC(=O)c1cc(Br)cc(NC(=O)N2CCC[N@H+](C)CC2)c1C ZINC000417565789 563883168 /nfs/dbraw/zinc/88/31/68/563883168.db2.gz LKGQNUYGIJXSKS-UHFFFAOYSA-N 1 0 384.274 2.714 20 0 GFADRO C[C@H](CO)[N@@H+]1CCCN(CC(=O)Nc2cc(Cl)c(Cl)cc2Cl)CC1 ZINC000368975104 563883457 /nfs/dbraw/zinc/88/34/57/563883457.db2.gz SVRNORHSVSWVRA-LLVKDONJSA-N 1 0 394.730 2.974 20 0 GFADRO Clc1ccc(Cl)c([C@H](NCc2nnc3n2CCOC3)[C@H]2CCOC2)c1 ZINC000368989712 563883549 /nfs/dbraw/zinc/88/35/49/563883549.db2.gz KCQHTORCDVPXGB-APPDUMDISA-N 1 0 383.279 2.983 20 0 GFADRO C[C@@H]([NH2+]CC1(N2CCOCC2)CC1)c1ccc(I)cc1 ZINC000447602910 563883679 /nfs/dbraw/zinc/88/36/79/563883679.db2.gz WEJPBZIGTDHMLR-CYBMUJFWSA-N 1 0 386.277 2.807 20 0 GFADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000369044387 563885393 /nfs/dbraw/zinc/88/53/93/563885393.db2.gz LYQKKGVDHFKMKG-VXGBXAGGSA-N 1 0 375.803 2.926 20 0 GFADRO [NH3+]CCCOC1CCN(C(=O)NCc2ccc(Br)c(F)c2)CC1 ZINC000417609384 563886258 /nfs/dbraw/zinc/88/62/58/563886258.db2.gz KNECOICBCBNCGV-UHFFFAOYSA-N 1 0 388.281 2.628 20 0 GFADRO O=S(=O)(c1ccc(OC(F)F)c(F)c1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000447821501 563887116 /nfs/dbraw/zinc/88/71/16/563887116.db2.gz LUQXNWSXKDURFJ-LBPRGKRZSA-N 1 0 378.416 2.676 20 0 GFADRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)NCCOc1ncc(C(F)(F)F)cc1Cl ZINC000417736942 563887899 /nfs/dbraw/zinc/88/78/99/563887899.db2.gz NCTMGKQJFSONNJ-ZJUUUORDSA-N 1 0 380.798 2.511 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)NCC2(c3ccc(Br)cc3)CCCC2)CCO1 ZINC000417730560 563888137 /nfs/dbraw/zinc/88/81/37/563888137.db2.gz QZTRXRIDUIZYRT-MRXNPFEDSA-N 1 0 396.329 2.630 20 0 GFADRO C[C@H](CNC(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1)Oc1ccc(Br)cc1 ZINC000417772216 563888585 /nfs/dbraw/zinc/88/85/85/563888585.db2.gz HMCSWKCUIUEYQQ-MCIONIFRSA-N 1 0 384.318 2.843 20 0 GFADRO O=C(CC[NH2+]Cc1ccc(F)cc1I)N1CCCCC1 ZINC000417882006 563890243 /nfs/dbraw/zinc/89/02/43/563890243.db2.gz QZGBHNWPQFLQBV-UHFFFAOYSA-N 1 0 390.240 2.923 20 0 GFADRO Cc1sc([C@@H](C)NC(=O)N(CC[NH3+])CCO)nc1-c1ccc(Cl)cc1 ZINC000417871797 563890270 /nfs/dbraw/zinc/89/02/70/563890270.db2.gz MLLOBNXDPYKEAP-LLVKDONJSA-N 1 0 382.917 2.796 20 0 GFADRO C[C@@H](NC(=O)N(C)[C@@H](C)C[NH3+])c1nc(-c2ccc(Br)cc2)no1 ZINC000417882318 563890362 /nfs/dbraw/zinc/89/03/62/563890362.db2.gz DQLWISNIEIEATL-VHSXEESVSA-N 1 0 382.262 2.549 20 0 GFADRO C[C@H](Cc1ccc(F)c(Br)c1)NC(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000417896700 563890929 /nfs/dbraw/zinc/89/09/29/563890929.db2.gz HXYYCMVDOMGJFX-PVXIVEMSSA-N 1 0 384.293 2.913 20 0 GFADRO CC[C@H](Cc1ccccc1Br)NC(=O)N1CC[C@H](OC)C[C@H]1C[NH3+] ZINC000417901303 563891700 /nfs/dbraw/zinc/89/17/00/563891700.db2.gz VKROBYCYJZFXHY-PMPSAXMXSA-N 1 0 398.345 2.918 20 0 GFADRO C[C@H](CO[C@H]1CCOC1)[NH2+]Cc1ccc(F)cc1I ZINC000417924451 563892218 /nfs/dbraw/zinc/89/22/18/563892218.db2.gz AKBFHCMDOWENNS-MFKMUULPSA-N 1 0 379.213 2.714 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+][C@@H](CO)[C@@H]1CCCO1 ZINC000447975319 563892498 /nfs/dbraw/zinc/89/24/98/563892498.db2.gz HAGLMQROZBTZTK-IRXDYDNUSA-N 1 0 380.286 2.573 20 0 GFADRO NC(=O)C1(C[NH2+]Cc2ccc(F)cc2I)CCCC1 ZINC000417962872 563892703 /nfs/dbraw/zinc/89/27/03/563892703.db2.gz HEBALGCCJYGYOA-UHFFFAOYSA-N 1 0 376.213 2.566 20 0 GFADRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)NCCCOc1ncc(C(F)(F)F)cc1Cl ZINC000417965139 563893045 /nfs/dbraw/zinc/89/30/45/563893045.db2.gz RDQFSGGLQITOPA-CABZTGNLSA-N 1 0 380.798 2.654 20 0 GFADRO CC[NH+](CC)[C@H](C)CNC(=O)Nc1ccnn1-c1ccc(Br)cn1 ZINC000448123895 563894170 /nfs/dbraw/zinc/89/41/70/563894170.db2.gz VKDMSDYJPVUJJK-GFCCVEGCSA-N 1 0 395.305 2.882 20 0 GFADRO COc1cc(Br)ccc1CCCNC(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000417997347 563894420 /nfs/dbraw/zinc/89/44/20/563894420.db2.gz FSSCHVFVXNVKPU-INIZCTEOSA-N 1 0 396.329 2.926 20 0 GFADRO CO[C@@H](c1ccc(Br)cc1)[C@H](C)NC(=O)NCCC[NH2+]C1CC1 ZINC000418000047 563894520 /nfs/dbraw/zinc/89/45/20/563894520.db2.gz WAAJRSJOIWKAGT-BLLLJJGKSA-N 1 0 384.318 2.966 20 0 GFADRO [NH3+][C@H]1CCN(C(=O)NCCOc2c(Cl)cc(Br)cc2Cl)C1 ZINC000418003928 563894543 /nfs/dbraw/zinc/89/45/43/563894543.db2.gz NLJRALXJZCPVFB-VIFPVBQESA-N 1 0 397.100 2.877 20 0 GFADRO C[NH2+][C@@H]1CCCN(C(=O)N[C@@H](C)[C@@H](OC)c2ccc(Br)cc2)C1 ZINC000418000091 563894670 /nfs/dbraw/zinc/89/46/70/563894670.db2.gz WIQAPUGXFQOFJG-APHBMKBZSA-N 1 0 384.318 2.919 20 0 GFADRO COc1cc(Br)ccc1CCCNC(=O)N1CC[NH2+][C@@H](C)[C@H]1C ZINC000418007858 563894935 /nfs/dbraw/zinc/89/49/35/563894935.db2.gz ROHUMXMKNVHDDB-QWHCGFSZSA-N 1 0 384.318 2.782 20 0 GFADRO COCC[N@@H+]1CC[C@H](NC(=O)NCC(C)(C)c2ccccc2Br)C1 ZINC000448216144 563895047 /nfs/dbraw/zinc/89/50/47/563895047.db2.gz ZWMQGJLGXYYDHT-AWEZNQCLSA-N 1 0 398.345 2.747 20 0 GFADRO COc1cc(Br)ccc1CCCNC(=O)N1CCC(C[NH3+])CC1 ZINC000418012328 563895189 /nfs/dbraw/zinc/89/51/89/563895189.db2.gz XUTMIKZDRZQENI-UHFFFAOYSA-N 1 0 384.318 2.771 20 0 GFADRO COCCN(Cc1ccc(F)cc1I)[C@H]1CCOC1 ZINC000418022304 563895431 /nfs/dbraw/zinc/89/54/31/563895431.db2.gz AUSOBUSVMXWFFM-ZDUSSCGKSA-N 1 0 379.213 2.668 20 0 GFADRO Cc1cc(Br)cn2cc(CNC(=O)NC[C@H]3CCC[C@H]([NH3+])C3)nc12 ZINC000418016975 563895452 /nfs/dbraw/zinc/89/54/52/563895452.db2.gz GJZJBDOQFUKREI-JSGCOSHPSA-N 1 0 394.317 2.722 20 0 GFADRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)N[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C1 ZINC000418016069 563895485 /nfs/dbraw/zinc/89/54/85/563895485.db2.gz ZPMQWGPPHWXGRR-UEKVPHQBSA-N 1 0 385.295 2.525 20 0 GFADRO COc1cc(Br)ccc1CCCNC(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000418013800 563895549 /nfs/dbraw/zinc/89/55/49/563895549.db2.gz ZSFRHLWFFKWODA-IUODEOHRSA-N 1 0 384.318 2.830 20 0 GFADRO Cc1cc(Br)cn2cc(CNC(=O)N3CCC[C@@H]([C@H](C)[NH3+])C3)nc12 ZINC000418027764 563896127 /nfs/dbraw/zinc/89/61/27/563896127.db2.gz XJUOQLVVHAXLDX-QWHCGFSZSA-N 1 0 394.317 2.674 20 0 GFADRO CO[C@@H]1CCN(C(=O)N[C@@H](C)c2ccc(Br)s2)[C@H](C[NH3+])C1 ZINC000418059339 563896842 /nfs/dbraw/zinc/89/68/42/563896842.db2.gz NJMIGSMUBWQBKN-GARJFASQSA-N 1 0 376.320 2.719 20 0 GFADRO C[C@@H](C[NH3+])NC(=O)N[C@H](Cc1ccccn1)c1ccc(Br)cc1 ZINC000418066491 563897260 /nfs/dbraw/zinc/89/72/60/563897260.db2.gz NPTNEZSYPMXROP-BLLLJJGKSA-N 1 0 377.286 2.774 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)NCCc2c[nH]c3cc(Cl)cc(Cl)c23)CCCO1 ZINC000418063258 563897371 /nfs/dbraw/zinc/89/73/71/563897371.db2.gz HPENBGUTUXWLLY-CYBMUJFWSA-N 1 0 385.295 2.776 20 0 GFADRO O=C(N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000418080651 563897785 /nfs/dbraw/zinc/89/77/85/563897785.db2.gz MQDZFCIGVYFZHB-JGGQBBKZSA-N 1 0 383.323 2.966 20 0 GFADRO CCCC[C@@H](C[NH3+])NC(=O)N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000418084364 563898199 /nfs/dbraw/zinc/89/81/99/563898199.db2.gz VGQJPPOFAKUKRX-GXTWGEPZSA-N 1 0 387.311 2.915 20 0 GFADRO [NH3+]CC[C@@H](NC(=O)N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1)C(F)F ZINC000418082619 563898244 /nfs/dbraw/zinc/89/82/44/563898244.db2.gz QSAMHUHTGCLNNH-CMPLNLGQSA-N 1 0 381.254 2.854 20 0 GFADRO [NH3+]CC[C@@H](NC(=O)N[C@H]1CSc2ccc(Br)cc21)C(F)F ZINC000418106007 563899032 /nfs/dbraw/zinc/89/90/32/563899032.db2.gz WOMGNECSFWWFFJ-ZJUUUORDSA-N 1 0 380.258 2.878 20 0 GFADRO O=C(NCCCCn1cc(Br)cn1)N1CCC2(CC[NH2+]CC2)CC1 ZINC000418113055 563899532 /nfs/dbraw/zinc/89/95/32/563899532.db2.gz ZMNWWUMEXGUKLY-UHFFFAOYSA-N 1 0 398.349 2.601 20 0 GFADRO O=C(N[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000418143837 563899859 /nfs/dbraw/zinc/89/98/59/563899859.db2.gz JDUMQRAQPFJNLD-JLJPHGGASA-N 1 0 383.323 2.538 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc(I)cc1F ZINC000448707121 563900262 /nfs/dbraw/zinc/90/02/62/563900262.db2.gz CCGCWJCYUBYLFK-ZIAGYGMSSA-N 1 0 388.224 2.787 20 0 GFADRO COc1cc(Br)ccc1CNC(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000418153971 563900298 /nfs/dbraw/zinc/90/02/98/563900298.db2.gz VILCTZNVJYSHJI-QEJZJMRPSA-N 1 0 382.302 2.727 20 0 GFADRO COc1cc(Br)c(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1OC ZINC000448727022 563900554 /nfs/dbraw/zinc/90/05/54/563900554.db2.gz VZICYBUQPFBBEN-VXGBXAGGSA-N 1 0 383.286 2.823 20 0 GFADRO C[C@@H](NC(=O)NCc1cc(F)c(F)cc1Br)[C@H]1CCC[NH2+]C1 ZINC000418184682 563900698 /nfs/dbraw/zinc/90/06/98/563900698.db2.gz REYWODHFMLZRAT-ZJUUUORDSA-N 1 0 376.245 2.915 20 0 GFADRO CC[N@@H+]1CCCN(C(=O)c2ccccc2-n2cc(Br)cn2)CC1 ZINC000448940740 563903587 /nfs/dbraw/zinc/90/35/87/563903587.db2.gz ISKOZDLIZFAYNX-UHFFFAOYSA-N 1 0 377.286 2.803 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[N@H+](C)C[C@H]1CCC[C@@H]1O ZINC000449044362 563906024 /nfs/dbraw/zinc/90/60/24/563906024.db2.gz DIUJYXQHRNSPHL-ZENOOKHLSA-N 1 0 399.329 2.555 20 0 GFADRO Cc1cc(Br)c(C[NH2+][C@@H]2CCCN(S(C)(=O)=O)C2)cc1Cl ZINC000449097162 563906908 /nfs/dbraw/zinc/90/69/08/563906908.db2.gz BWZUDWNRRZYBLQ-GFCCVEGCSA-N 1 0 395.750 2.925 20 0 GFADRO C[C@H](C[NH2+]Cc1nccn1CC(F)(F)F)c1ccc(S(C)(=O)=O)cc1 ZINC000449115836 563906987 /nfs/dbraw/zinc/90/69/87/563906987.db2.gz JFLJHFPAQXNMBL-GFCCVEGCSA-N 1 0 375.416 2.742 20 0 GFADRO C[C@H](C[NH2+]CCCNC(=O)c1cccs1)c1ccc(S(C)(=O)=O)cc1 ZINC000449141914 563907572 /nfs/dbraw/zinc/90/75/72/563907572.db2.gz ROGFMJWEVXDZHT-CQSZACIVSA-N 1 0 380.535 2.665 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1CN[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000449173960 563907845 /nfs/dbraw/zinc/90/78/45/563907845.db2.gz OPMOMWONBMEUFE-XEZPLFJOSA-N 1 0 398.345 2.535 20 0 GFADRO CS(=O)(=O)N[C@H]1CCC[C@@H]1C[NH2+]Cc1cnc(-c2ccccc2F)s1 ZINC000449223959 563908264 /nfs/dbraw/zinc/90/82/64/563908264.db2.gz PQMDANAZVWCXTJ-WBMJQRKESA-N 1 0 383.514 2.757 20 0 GFADRO C[N@H+](CC[S@](=O)c1ccccc1)C[C@@H]1C[C@H](F)CN1Cc1nccs1 ZINC000470819237 564178393 /nfs/dbraw/zinc/17/83/93/564178393.db2.gz DEEDXGGVYIAHKO-NWLBTCKQSA-N 1 0 381.542 2.795 20 0 GFADRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+][C@@H](C)CC(=O)Nc1ccc(Br)cc1 ZINC000537943315 564178615 /nfs/dbraw/zinc/17/86/15/564178615.db2.gz JQGRLNMALKCNPY-NILFDRSVSA-N 1 0 382.302 2.671 20 0 GFADRO C[C@@H]([NH2+]CCS(=O)(=O)NC(C)(C)C)c1ccc(F)c(Br)c1 ZINC000537939766 564178736 /nfs/dbraw/zinc/17/87/36/564178736.db2.gz DOTJUDRQCHYQGW-SNVBAGLBSA-N 1 0 381.311 2.957 20 0 GFADRO C[C@@H]([NH2+][C@H](CO)c1ccc(Br)cc1)c1ccc(-n2cnnn2)cc1 ZINC000537960367 564178804 /nfs/dbraw/zinc/17/88/04/564178804.db2.gz SPFHARITGGSAOY-SJKOYZFVSA-N 1 0 388.269 2.809 20 0 GFADRO COC(=O)COC[C@H](C)[NH2+][C@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O ZINC000449281305 564178854 /nfs/dbraw/zinc/17/88/54/564178854.db2.gz YZEPDDGUKJTQIJ-FZMZJTMJSA-N 1 0 389.279 2.657 20 0 GFADRO CO[C@@]1(C)CCC[N@H+](C[C@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000470906345 564179785 /nfs/dbraw/zinc/17/97/85/564179785.db2.gz MPSAOGWDUQPHJR-HOCLYGCPSA-N 1 0 376.266 2.829 20 0 GFADRO Cn1cc(C[NH2+]CCn2cc(Br)cn2)c(-c2ccc(F)cc2)n1 ZINC000449323752 564181017 /nfs/dbraw/zinc/18/10/17/564181017.db2.gz WSPNACPCFMNYQA-UHFFFAOYSA-N 1 0 378.249 2.975 20 0 GFADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)Cc2ccc(Cl)cc2Cl)CC1 ZINC000505375938 564181156 /nfs/dbraw/zinc/18/11/56/564181156.db2.gz WXCLNYJHXXJPBF-UHFFFAOYSA-N 1 0 386.323 2.549 20 0 GFADRO C[N@H+](Cc1ccnc2c(Br)cccc12)[C@@H]1CCN2CCO[C@H]1C2 ZINC000449361892 564181804 /nfs/dbraw/zinc/18/18/04/564181804.db2.gz JRGHCEJXEARUCE-SJORKVTESA-N 1 0 376.298 2.902 20 0 GFADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)Cc2cc(Cl)ccc2Cl)CC1 ZINC000505406919 564181873 /nfs/dbraw/zinc/18/18/73/564181873.db2.gz AOTPYGVAMLLLEX-UHFFFAOYSA-N 1 0 386.323 2.549 20 0 GFADRO C[C@H]1CN(Cc2cn(-c3ccccc3Br)nn2)CC[N@@H+](C2CC2)C1 ZINC000449347014 564182224 /nfs/dbraw/zinc/18/22/24/564182224.db2.gz PRMKPQPYJLIOKM-AWEZNQCLSA-N 1 0 390.329 2.946 20 0 GFADRO C[C@@H]1C[C@H]([NH2+]CCn2cc(Br)ccc2=O)CN1Cc1ccccc1 ZINC000449373730 564182333 /nfs/dbraw/zinc/18/23/33/564182333.db2.gz CLJPFQOSSZSWIA-QAPCUYQASA-N 1 0 390.325 2.863 20 0 GFADRO OCCC[N@@H+]1CCC[C@H]1CNCc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000449386995 564182875 /nfs/dbraw/zinc/18/28/75/564182875.db2.gz KGQJQXNMQDKZHV-INIZCTEOSA-N 1 0 393.329 2.776 20 0 GFADRO COC[C@@](C)(O)CC[NH2+]C1CCN(Cc2ccccc2Br)CC1 ZINC000449384113 564183301 /nfs/dbraw/zinc/18/33/01/564183301.db2.gz MGSJCCVSPAAUTK-SFHVURJKSA-N 1 0 385.346 2.791 20 0 GFADRO C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]C[C@@H]1CCCN1CCCO ZINC000449390422 564185061 /nfs/dbraw/zinc/18/50/61/564185061.db2.gz WATFZBXNBIRKTF-YOEHRIQHSA-N 1 0 398.345 2.603 20 0 GFADRO C[NH+](C)C1CN(C(=O)Cc2csc(-c3cccc(Br)c3)n2)C1 ZINC000538219302 564185290 /nfs/dbraw/zinc/18/52/90/564185290.db2.gz IKSSRSXHHAVFPZ-UHFFFAOYSA-N 1 0 380.311 2.888 20 0 GFADRO CC[C@@H]1[C@@H](CO)CC[N@@H+]1Cc1cc(Br)ccc1O[C@H](C)C(=O)NC ZINC000449419007 564185402 /nfs/dbraw/zinc/18/54/02/564185402.db2.gz GJOSQBCCFSXXRD-XJKCOSOUSA-N 1 0 399.329 2.555 20 0 GFADRO COc1ccc(C[N@@H+]2C[C@H](O)C[C@H]2[C@@H]2CCCOC2)c(Br)c1O ZINC000449431488 564185748 /nfs/dbraw/zinc/18/57/48/564185748.db2.gz DLCQVXSYVHXPFW-MCIONIFRSA-N 1 0 386.286 2.525 20 0 GFADRO COc1cc(C[N@H+](C)CC(C)(C)CO)cc(I)c1OC ZINC000449415385 564186098 /nfs/dbraw/zinc/18/60/98/564186098.db2.gz OBSKZURCQYFFOP-UHFFFAOYSA-N 1 0 393.265 2.759 20 0 GFADRO CC[C@@H]1[C@H](CO)CC[N@@H+]1Cc1ccc(Br)cc1N1CCOCC1 ZINC000449430998 564186122 /nfs/dbraw/zinc/18/61/22/564186122.db2.gz WYYLIOAABDKLKD-DOTOQJQBSA-N 1 0 383.330 2.879 20 0 GFADRO COC(=O)c1ccc(C[N@@H+]2C[C@H](O)C[C@H]2[C@H]2CCCOC2)c(Br)c1 ZINC000449432401 564186869 /nfs/dbraw/zinc/18/68/69/564186869.db2.gz HIEWBEOTWBDLEK-UXLLHSPISA-N 1 0 398.297 2.598 20 0 GFADRO CN(C)C(=O)C1([NH2+]Cc2cnc3ccc(Br)cn23)CCCCC1 ZINC000449456596 564186884 /nfs/dbraw/zinc/18/68/84/564186884.db2.gz DKPRRWIDABZWRG-UHFFFAOYSA-N 1 0 379.302 2.978 20 0 GFADRO C[NH+]1CCC2(CCCN2C(=O)[C@@H]2Cc3cc(Br)ccc3O2)CC1 ZINC000471152781 564187099 /nfs/dbraw/zinc/18/70/99/564187099.db2.gz BXNDPBSOWQBROH-INIZCTEOSA-N 1 0 379.298 2.839 20 0 GFADRO CN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)CC[NH2+][C@@H]2CCC2(C)C)c1 ZINC000563367465 564188464 /nfs/dbraw/zinc/18/84/64/564188464.db2.gz OUGQKXGENXNJCA-OAHLLOKOSA-N 1 0 387.933 2.697 20 0 GFADRO CS[C@@H]1CN(CC(=O)N2CC[C@@H](C)Sc3ccccc32)C[C@@H]1[NH+](C)C ZINC000538376436 564189183 /nfs/dbraw/zinc/18/91/83/564189183.db2.gz GLFDFMCTQCWZTN-UWWQBHOKSA-N 1 0 379.595 2.881 20 0 GFADRO CN(CCc1cccc(Br)c1)C(=O)c1ccn(CC[NH+](C)C)n1 ZINC000563394051 564189606 /nfs/dbraw/zinc/18/96/06/564189606.db2.gz ATEGXUMGSLXNSV-UHFFFAOYSA-N 1 0 379.302 2.522 20 0 GFADRO O=C(CC[NH2+]C1CC1)Nc1cc(-c2cc(Br)ccc2Cl)[nH]n1 ZINC000563413521 564190334 /nfs/dbraw/zinc/19/03/34/564190334.db2.gz BFGBUDOLHZCBPM-UHFFFAOYSA-N 1 0 383.677 3.573 20 0 GFADRO CCOc1cc(Br)c(CC(=O)N2C[C@H](C)[NH2+]C[C@H]2C)cc1OCC ZINC000505823517 564191001 /nfs/dbraw/zinc/19/10/01/564191001.db2.gz FFFPUKYIVBOXSK-QWHCGFSZSA-N 1 0 399.329 2.998 20 0 GFADRO NC(=O)c1ccc(C[NH2+]C[C@@H](CO)Cc2cc(Br)ccc2F)cc1 ZINC000449599970 564191144 /nfs/dbraw/zinc/19/11/44/564191144.db2.gz MVQUNFOZUZXBFS-ZDUSSCGKSA-N 1 0 395.272 2.628 20 0 GFADRO COCCN1CCC([NH2+]C[C@@H](CO)Cc2ccc(C)c(Br)c2)CC1 ZINC000449601380 564192012 /nfs/dbraw/zinc/19/20/12/564192012.db2.gz RJDUHPKIMBDILK-KRWDZBQOSA-N 1 0 399.373 2.609 20 0 GFADRO COc1ccc(C[C@@H](CO)C[NH2+]Cc2ccncc2F)cc1Br ZINC000449605872 564193378 /nfs/dbraw/zinc/19/33/78/564193378.db2.gz ZXXCGFJMRAEGKX-CYBMUJFWSA-N 1 0 383.261 2.933 20 0 GFADRO CC[NH+](CC)[C@H](C)CNC(=O)c1cc(I)ccc1F ZINC000471348231 564193674 /nfs/dbraw/zinc/19/36/74/564193674.db2.gz JQMCKVZFUAXWOK-SNVBAGLBSA-N 1 0 378.229 2.890 20 0 GFADRO CCc1nocc1C[NH2+]C[C@H](CO)Cc1cc(Br)ccc1OC ZINC000449677808 564194109 /nfs/dbraw/zinc/19/41/09/564194109.db2.gz CPXIRZJTPSTBEH-GFCCVEGCSA-N 1 0 383.286 2.949 20 0 GFADRO CC(C)[N@H+](C)CC1CCN(C(=O)C(=O)N(C)Cc2ccc(Cl)s2)CC1 ZINC000563516349 564194287 /nfs/dbraw/zinc/19/42/87/564194287.db2.gz YNXKKTHNHOXEAX-UHFFFAOYSA-N 1 0 385.961 2.939 20 0 GFADRO O=C(CC[NH2+][C@H]1CCO[C@@]2(CCOC2)C1)Nc1cccc(Br)c1 ZINC000563528720 564195003 /nfs/dbraw/zinc/19/50/03/564195003.db2.gz BVGWINCZDFJKRM-RDJZCZTQSA-N 1 0 383.286 2.705 20 0 GFADRO CO[C@](C)(C[NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1)C1CC1 ZINC000563530611 564195239 /nfs/dbraw/zinc/19/52/39/564195239.db2.gz OYJOBBQHVIYFER-GDBMZVCRSA-N 1 0 376.266 2.733 20 0 GFADRO C[NH+](C)C1(CNC(=O)[C@H]2C[C@H]2c2cccc(Br)c2)CCOCC1 ZINC000506023499 564195282 /nfs/dbraw/zinc/19/52/82/564195282.db2.gz YXHIRUFEVWQOCY-HOTGVXAUSA-N 1 0 381.314 2.780 20 0 GFADRO C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)N1CC[N@H+](C)C(C)(C)C1 ZINC000563545506 564196584 /nfs/dbraw/zinc/19/65/84/564196584.db2.gz OYGQVOIEHYWVJB-AWEZNQCLSA-N 1 0 382.346 2.822 20 0 GFADRO Cc1cc(Br)ccc1CN1CC[NH+]([C@H]2CCNC(=O)CC2)CC1 ZINC000449697260 564197015 /nfs/dbraw/zinc/19/70/15/564197015.db2.gz LHCZEEFHSLUANU-QGZVFWFLSA-N 1 0 380.330 2.544 20 0 GFADRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)c2ccc(Br)cc2)C1 ZINC000471557699 564197507 /nfs/dbraw/zinc/19/75/07/564197507.db2.gz CQWIMWWHBGYGLK-INIZCTEOSA-N 1 0 397.313 2.591 20 0 GFADRO C[C@H](c1ccc(Br)cc1)N1CC[NH+]([C@H]2CCNC(=O)CC2)CC1 ZINC000449703271 564197850 /nfs/dbraw/zinc/19/78/50/564197850.db2.gz UDOYTZHPXHLGGG-RHSMWYFYSA-N 1 0 380.330 2.796 20 0 GFADRO C[C@@H](Oc1ccc(F)cc1Br)C(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000449714472 564198154 /nfs/dbraw/zinc/19/81/54/564198154.db2.gz CEPKCVUXZDXJNR-HQJQHLMTSA-N 1 0 387.171 2.751 20 0 GFADRO [NH3+]CC[C@@H](NC(=O)c1ccn(-c2cccc(Br)c2)n1)C(F)(F)F ZINC000449717582 564198565 /nfs/dbraw/zinc/19/85/65/564198565.db2.gz IJUUWUAABUFPRC-GFCCVEGCSA-N 1 0 391.191 2.644 20 0 GFADRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)COc2ccc(Br)cc2)C1 ZINC000471563050 564198765 /nfs/dbraw/zinc/19/87/65/564198765.db2.gz MEMQYRQDQFJGSA-KRWDZBQOSA-N 1 0 399.329 2.787 20 0 GFADRO CSc1ccc(C[N@H+](C)CCOc2ccc(S(N)(=O)=O)cc2F)cc1 ZINC000449754154 564200823 /nfs/dbraw/zinc/20/08/23/564200823.db2.gz KXRVXPVBZBWQIV-UHFFFAOYSA-N 1 0 384.498 2.706 20 0 GFADRO Cc1cc(Br)ccc1C[N@@H+]1CCC[C@@](O)(C(=O)N2CCCC2)C1 ZINC000449764297 564201081 /nfs/dbraw/zinc/20/10/81/564201081.db2.gz AKBWUQGDOSUISW-SFHVURJKSA-N 1 0 381.314 2.707 20 0 GFADRO CC[C@@H](Cc1ccccc1Br)NC(=O)NCCOCC[NH+](C)C ZINC000471653742 564201733 /nfs/dbraw/zinc/20/17/33/564201733.db2.gz PDVAFRCHYTVUCA-HNNXBMFYSA-N 1 0 386.334 2.648 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[N@@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000563713635 564203845 /nfs/dbraw/zinc/20/38/45/564203845.db2.gz NDHQWPSIDVPUEL-ZENOOKHLSA-N 1 0 397.313 2.573 20 0 GFADRO CC(C)[N@H+](C)C[C@H](C)NC(=O)C(=O)Nc1cc(F)c(Br)cc1F ZINC000563752569 564205568 /nfs/dbraw/zinc/20/55/68/564205568.db2.gz AOJHMJWECBDOQE-VIFPVBQESA-N 1 0 392.244 2.511 20 0 GFADRO COc1ccc(SCCC(=O)N2C[C@@H](SC)[C@H]([NH+](C)C)C2)cc1OC ZINC000539025413 564207410 /nfs/dbraw/zinc/20/74/10/564207410.db2.gz JATDSBOYDTWSAJ-RHSMWYFYSA-N 1 0 384.567 2.690 20 0 GFADRO Cc1cc(Br)ccc1S(=O)(=O)N1CCN(C)c2cc[nH+]cc21 ZINC000471934591 564208008 /nfs/dbraw/zinc/20/80/08/564208008.db2.gz CEXBMIQFOIMNCN-UHFFFAOYSA-N 1 0 382.283 2.798 20 0 GFADRO CC1=CC[N@H+](CCNC(=O)[C@@H](C)NC(=O)c2cccc(Cl)c2Cl)CC1 ZINC000506654508 564208193 /nfs/dbraw/zinc/20/81/93/564208193.db2.gz PFASMOAUIHZNGA-CYBMUJFWSA-N 1 0 384.307 2.880 20 0 GFADRO Cc1ccsc1[C@@H](CO)[NH2+][C@@H](C)c1cccc(N2CCCS2(=O)=O)c1 ZINC000539120113 564210347 /nfs/dbraw/zinc/21/03/47/564210347.db2.gz LSFPEZVVWHBELH-WMLDXEAASA-N 1 0 380.535 2.981 20 0 GFADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)c1ccc(Cl)c(Br)c1 ZINC000472121930 564213698 /nfs/dbraw/zinc/21/36/98/564213698.db2.gz JGPNKSJLDSDKSA-GFCCVEGCSA-N 1 0 388.737 2.858 20 0 GFADRO O=C(NC[C@H]1C[NH2+]CCCO1)N[C@@H](c1ccc(Br)cc1)C1CCC1 ZINC000563944895 564214003 /nfs/dbraw/zinc/21/40/03/564214003.db2.gz DLMNMVQPNBUXMF-IAGOWNOFSA-N 1 0 396.329 2.968 20 0 GFADRO CN(Cc1ccc(OC(F)F)c(Br)c1)C[C@H]1CCS(=O)(=O)C1 ZINC000539383295 564217750 /nfs/dbraw/zinc/21/77/50/564217750.db2.gz FFBYNIWWJOWKAF-LLVKDONJSA-N 1 0 398.269 2.917 20 0 GFADRO [NH3+]Cc1cc(C(=O)N2CCN(Cc3cc(Br)ccc3F)CC2)co1 ZINC000564081645 564219403 /nfs/dbraw/zinc/21/94/03/564219403.db2.gz GTHKJBOBWTWRNN-UHFFFAOYSA-N 1 0 396.260 2.598 20 0 GFADRO CN(CCC[NH+](C)C)C(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1 ZINC000539416848 564219486 /nfs/dbraw/zinc/21/94/86/564219486.db2.gz ZEJAOHFRODGGMS-UHFFFAOYSA-N 1 0 386.945 2.837 20 0 GFADRO C[N@H+]1CC=C(CNC(=O)[C@H]2CC(=O)N(c3cc(Cl)cc(Cl)c3)C2)CC1 ZINC000539441114 564220259 /nfs/dbraw/zinc/22/02/59/564220259.db2.gz XOSDMDRYMSFBDG-ZDUSSCGKSA-N 1 0 382.291 2.724 20 0 GFADRO C/C(=C/c1cccc(C(F)(F)F)c1)C[NH2+]C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000564114435 564221299 /nfs/dbraw/zinc/22/12/99/564221299.db2.gz AQUNLYLMEQJKGI-JEMSNHSXSA-N 1 0 376.444 2.980 20 0 GFADRO CCN(CC)S(=O)(=O)c1ccc(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)s1 ZINC000539500020 564221423 /nfs/dbraw/zinc/22/14/23/564221423.db2.gz OJNCJAFZHDJBFP-OIISXLGYSA-N 1 0 384.567 2.826 20 0 GFADRO C[C@H]([NH2+][C@H]1CSC[C@@H]1C)C(=O)Nc1cccc(I)c1 ZINC000507248227 564223503 /nfs/dbraw/zinc/22/35/03/564223503.db2.gz TYXPOVZHPYTWBE-KWBADKCTSA-N 1 0 390.290 2.959 20 0 GFADRO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1cc2c(Br)cccc2cn1 ZINC000450246579 564223456 /nfs/dbraw/zinc/22/34/56/564223456.db2.gz UZBLNLBLKPBFEF-AWEZNQCLSA-N 1 0 392.297 2.574 20 0 GFADRO Cc1ccc(Br)cc1CC(=O)NCCCC[N@@H+]1CCC[C@@H]1CO ZINC000450246244 564223516 /nfs/dbraw/zinc/22/35/16/564223516.db2.gz UHXCPKCFMYSTSG-QGZVFWFLSA-N 1 0 383.330 2.653 20 0 GFADRO CC(C)[NH+]1CCC(O)(CNC(=O)c2cc(Cl)ccc2OC(F)F)CC1 ZINC000472457206 564223841 /nfs/dbraw/zinc/22/38/41/564223841.db2.gz UZSJUGWOTZVRJL-UHFFFAOYSA-N 1 0 376.831 2.907 20 0 GFADRO C[C@H]([NH2+]C[C@H]1CCCCN1S(C)(=O)=O)c1ccc(Br)cc1 ZINC000507268906 564224363 /nfs/dbraw/zinc/22/43/63/564224363.db2.gz UVSUMGUVVKGGHM-SWLSCSKDSA-N 1 0 375.332 2.914 20 0 GFADRO [NH3+]CC1(NS(=O)(=O)Cc2cc(Cl)ccc2Br)CCCC1 ZINC000564210058 564224950 /nfs/dbraw/zinc/22/49/50/564224950.db2.gz PYQJLWGVGMFCTE-UHFFFAOYSA-N 1 0 381.723 2.793 20 0 GFADRO C[C@H](O)C[N@@H+]1CCN(c2ncc(Br)cc2C(F)(F)F)C[C@@H]1C ZINC000450316311 564226542 /nfs/dbraw/zinc/22/65/42/564226542.db2.gz YVWFCKCVQOSTKY-UWVGGRQHSA-N 1 0 382.224 2.754 20 0 GFADRO Cc1cc(Br)ccc1S(=O)(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000472568681 564227260 /nfs/dbraw/zinc/22/72/60/564227260.db2.gz GPQMYUGDBSXLAQ-KGLIPLIRSA-N 1 0 375.332 2.909 20 0 GFADRO CNS(=O)(=O)[C@H]1CCC[N@H+](CCSc2ccnc3cc(Cl)ccc32)C1 ZINC000539808599 564228647 /nfs/dbraw/zinc/22/86/47/564228647.db2.gz GFMJEJWBEVUIOB-AWEZNQCLSA-N 1 0 399.969 2.994 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)C(=O)N[C@H](c1nccn1C)C1CC1 ZINC000507448602 564228767 /nfs/dbraw/zinc/22/87/67/564228767.db2.gz KPVAXUSJFJKORV-AWEZNQCLSA-N 1 0 391.269 2.697 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cccc(Br)c1[O-] ZINC000539840894 564230064 /nfs/dbraw/zinc/23/00/64/564230064.db2.gz LBALTRNPQGFSKS-CQSZACIVSA-N 1 0 398.345 2.643 20 0 GFADRO C[NH+](C)CCn1ccc(NC(=O)c2cc(Cl)c3cc(Cl)ccc3n2)n1 ZINC000564493782 564235622 /nfs/dbraw/zinc/23/56/22/564235622.db2.gz ARZVFBLXIKXRSO-UHFFFAOYSA-N 1 0 378.263 3.552 20 0 GFADRO Cc1c(Br)cccc1NC(=O)C(=O)N1C[C@H]([NH+]2CCCC2)C[C@@H]1C ZINC000507639712 564236405 /nfs/dbraw/zinc/23/64/05/564236405.db2.gz GHMBKOLNTDUQKB-GXTWGEPZSA-N 1 0 394.313 2.781 20 0 GFADRO C[N@@H+]1CCO[C@H]2CCN(c3ncc(Br)cc3C(F)(F)F)C[C@H]21 ZINC000450511759 564236781 /nfs/dbraw/zinc/23/67/81/564236781.db2.gz RGGDVTLIXIJIDY-NEPJUHHUSA-N 1 0 380.208 2.772 20 0 GFADRO Cc1cc(NC(=O)C(=O)N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)ccc1Br ZINC000507661994 564238007 /nfs/dbraw/zinc/23/80/07/564238007.db2.gz VSJDQUUSMWTCPU-DZGCQCFKSA-N 1 0 394.313 2.781 20 0 GFADRO C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)c1ccccc1-n1cc(Br)cn1 ZINC000450559513 564238370 /nfs/dbraw/zinc/23/83/70/564238370.db2.gz FTMGLFAZEZRJMF-STQMWFEESA-N 1 0 377.286 2.799 20 0 GFADRO COCc1cnc(C[NH2+]CCCNC(=O)c2cccc(Br)c2)s1 ZINC000540071679 564239250 /nfs/dbraw/zinc/23/92/50/564239250.db2.gz UVBDYCHKDHJXFT-UHFFFAOYSA-N 1 0 398.326 2.962 20 0 GFADRO O=S(=O)(Cc1cc(Cl)ccc1Br)N[C@@H]1CCCC[NH2+]C1 ZINC000564571466 564239864 /nfs/dbraw/zinc/23/98/64/564239864.db2.gz RSKUKDOVMACERB-GFCCVEGCSA-N 1 0 381.723 2.664 20 0 GFADRO C[C@@H]([NH2+][C@H]1CCCN(S(C)(=O)=O)C1)c1ccc(Br)c(F)c1 ZINC000540174253 564240588 /nfs/dbraw/zinc/24/05/88/564240588.db2.gz OPCSMBRCHPPRHV-PWSUYJOCSA-N 1 0 379.295 2.663 20 0 GFADRO Cc1noc(CC[NH2+][C@H](C)c2nnn(-c3cccc(Br)c3)c2C)n1 ZINC000540174558 564241152 /nfs/dbraw/zinc/24/11/52/564241152.db2.gz LJNYXRNANWOGQT-SNVBAGLBSA-N 1 0 391.273 2.923 20 0 GFADRO CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+][C@@H](CO)CC(F)(F)F)cc1 ZINC000540154392 564241220 /nfs/dbraw/zinc/24/12/20/564241220.db2.gz YRPAEDAHXAYLAR-TZMCWYRMSA-N 1 0 382.448 2.681 20 0 GFADRO CCC[N@H+](CC)CCNC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000473168144 564241295 /nfs/dbraw/zinc/24/12/95/564241295.db2.gz SXQBSGBCTANYSG-UHFFFAOYSA-N 1 0 388.343 2.952 20 0 GFADRO CS(=O)(=O)N1CCC[C@H]([NH2+][C@@H]2CCc3ccc(OC(F)(F)F)cc32)C1 ZINC000540193432 564242187 /nfs/dbraw/zinc/24/21/87/564242187.db2.gz HTMYZWBZBODTMZ-SWLSCSKDSA-N 1 0 378.416 2.586 20 0 GFADRO CCCC[N@H+](C)C[C@H](C)NC(=O)C(=O)Nc1nc(C)c(C(F)(F)F)s1 ZINC000564684071 564244572 /nfs/dbraw/zinc/24/45/72/564244572.db2.gz BUMFDQZQARJECP-VIFPVBQESA-N 1 0 380.436 2.645 20 0 GFADRO OCC[C@@H]([NH2+]C[C@@H](O)COc1ccc(Br)cc1)c1ccccc1 ZINC000540332664 564245121 /nfs/dbraw/zinc/24/51/21/564245121.db2.gz PUEWYADXSYIBPV-SJLPKXTDSA-N 1 0 380.282 2.902 20 0 GFADRO COC[C@]1(C(=O)Nc2nnc(SCc3ccc(F)cc3)s2)CC[NH2+]C1 ZINC000564824894 564250749 /nfs/dbraw/zinc/25/07/49/564250749.db2.gz MRLQPJUVSJUVOD-INIZCTEOSA-N 1 0 382.486 2.534 20 0 GFADRO C[C@@H]([NH2+]C[C@H]1CS(=O)(=O)CCO1)c1cc2cc(Br)ccc2o1 ZINC000540609409 564252536 /nfs/dbraw/zinc/25/25/36/564252536.db2.gz SEAKECSAWBUXLT-MFKMUULPSA-N 1 0 388.283 2.660 20 0 GFADRO CCOCC[C@@H](O)C[NH2+]C1CCN(Cc2ccc(Br)cc2)CC1 ZINC000564855703 564252665 /nfs/dbraw/zinc/25/26/65/564252665.db2.gz YZPXMAVRKMIQOB-GOSISDBHSA-N 1 0 385.346 2.791 20 0 GFADRO C[C@H](c1ccccc1)[C@H](O)C[NH2+]CCNC(=O)c1cccc(Br)c1 ZINC000564849231 564252735 /nfs/dbraw/zinc/25/27/35/564252735.db2.gz RTBTXOPOPHPTEW-RDTXWAMCSA-N 1 0 391.309 2.933 20 0 GFADRO Cn1ncc(N2CC[NH+](C(C)(C)CC(C)(C)C)CC2)c(Br)c1=O ZINC000450878664 564253207 /nfs/dbraw/zinc/25/32/07/564253207.db2.gz MSGJEYUEXNHHBK-UHFFFAOYSA-N 1 0 385.350 2.880 20 0 GFADRO CCS(=O)(=O)c1cccc(C[NH2+]C[C@@H](O)COc2ccccc2Cl)c1 ZINC000564865216 564253746 /nfs/dbraw/zinc/25/37/46/564253746.db2.gz WWQXZSAWCWYPFP-OAHLLOKOSA-N 1 0 383.897 2.663 20 0 GFADRO CC[NH+](CC)CCNC(=O)NCc1ccc(I)c(C)c1 ZINC000540700767 564254977 /nfs/dbraw/zinc/25/49/77/564254977.db2.gz YEEQFZJSDGFJCR-UHFFFAOYSA-N 1 0 389.281 2.741 20 0 GFADRO CC(=O)NCC[N@@H+](Cc1ccc(Cl)cc1Cl)C[C@H]1CCNC(=O)CC1 ZINC000450927266 564255778 /nfs/dbraw/zinc/25/57/78/564255778.db2.gz ORGOGTIALBWPCP-CQSZACIVSA-N 1 0 386.323 2.848 20 0 GFADRO C[NH+](C)C[C@@H]1CCCN1C(=O)CNC(=O)c1sc2ccccc2c1Cl ZINC000473929807 564257680 /nfs/dbraw/zinc/25/76/80/564257680.db2.gz FYTPOCVINMIGMA-LBPRGKRZSA-N 1 0 379.913 2.837 20 0 GFADRO Cc1ccc(S(=O)(=O)N[C@H](C)C[NH+]2CCCCC2)cc1Br ZINC000473955112 564259676 /nfs/dbraw/zinc/25/96/76/564259676.db2.gz ZRQKGAGNDMPJSH-CYBMUJFWSA-N 1 0 375.332 2.910 20 0 GFADRO CCCC[C@H](C[NH3+])NS(=O)(=O)c1cc(Cl)c(OCCOC)c(Cl)c1 ZINC000564959776 564260365 /nfs/dbraw/zinc/26/03/65/564260365.db2.gz POCZOCQJJSUHJG-LLVKDONJSA-N 1 0 399.340 2.814 20 0 GFADRO COC(=O)C[C@@](C)([NH2+]C[C@H]1CCNC(=O)CC1)c1ccc(Br)cc1 ZINC000450990932 564260416 /nfs/dbraw/zinc/26/04/16/564260416.db2.gz VPQXONHKFGIJCN-FZKQIMNGSA-N 1 0 397.313 2.733 20 0 GFADRO CC[NH+]1CCC(N(C)S(=O)(=O)c2cc(OC)ccc2Br)CC1 ZINC000474058704 564262285 /nfs/dbraw/zinc/26/22/85/564262285.db2.gz ZKLBHQZSAZNPQV-UHFFFAOYSA-N 1 0 391.331 2.563 20 0 GFADRO OC[C@H]([NH2+]C[C@H](O)COCc1cccs1)c1ccc(C(F)(F)F)cc1 ZINC000541022787 564262869 /nfs/dbraw/zinc/26/28/69/564262869.db2.gz FUPDTTNULGAECX-HOCLYGCPSA-N 1 0 375.412 2.968 20 0 GFADRO CC(C)[NH2+]C1CCN(c2nnc(-c3cc(Br)cn3C)n2C)CC1 ZINC000508431298 564263579 /nfs/dbraw/zinc/26/35/79/564263579.db2.gz BOAIBKNSPAMRMV-UHFFFAOYSA-N 1 0 381.322 2.550 20 0 GFADRO CCC[C@H](C)[C@H](CO)[NH2+]CCS(=O)(=O)c1cccc(Br)c1 ZINC000565046897 564264003 /nfs/dbraw/zinc/26/40/03/564264003.db2.gz GQNAALLZEKDOAN-WFASDCNBSA-N 1 0 378.332 2.610 20 0 GFADRO CCC[C@H]([NH2+]C(C)C)C(=O)NC[C@@H](CO)Cc1ccccc1Br ZINC000508578202 564266826 /nfs/dbraw/zinc/26/68/26/564266826.db2.gz OMMHSFMNKABCFU-YOEHRIQHSA-N 1 0 385.346 2.883 20 0 GFADRO C[C@@H]([NH2+]C[C@H]1CCNC(=O)CC1)c1ccc(Br)cc1OCCCO ZINC000451047624 564267320 /nfs/dbraw/zinc/26/73/20/564267320.db2.gz CQKUQQTVHNQERB-ZIAGYGMSSA-N 1 0 399.329 2.777 20 0 GFADRO CCCC[N@H+](C)C[C@H](C)NC(=O)C(=O)Nc1cccc(C)c1Br ZINC000565138603 564267966 /nfs/dbraw/zinc/26/79/66/564267966.db2.gz CXVMNMYNPBTWSK-ZDUSSCGKSA-N 1 0 384.318 2.933 20 0 GFADRO O=C(N[C@H]1COc2cc(F)c(Br)cc21)N1CC[NH+](C2CCC2)CC1 ZINC000508664064 564269211 /nfs/dbraw/zinc/26/92/11/564269211.db2.gz NAJWJAYACQGKAD-HNNXBMFYSA-N 1 0 398.276 2.901 20 0 GFADRO Fc1ccc(CC2([NH2+]C[C@H]3COCCO3)CCOCC2)c(Br)c1 ZINC000451067484 564270150 /nfs/dbraw/zinc/27/01/50/564270150.db2.gz FWKHRHCBFDHFLD-HNNXBMFYSA-N 1 0 388.277 2.685 20 0 GFADRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)COc1c(Cl)cccc1Cl ZINC000474211578 564270622 /nfs/dbraw/zinc/27/06/22/564270622.db2.gz VRTNCNNWCKOFPN-GFCCVEGCSA-N 1 0 375.296 2.676 20 0 GFADRO C[C@@H]1CCN(C(=O)c2cnc(Sc3nccn3C)c(Cl)c2)C[C@H]1C[NH3+] ZINC000565303705 564274797 /nfs/dbraw/zinc/27/47/97/564274797.db2.gz XQOABDQBJNXWJH-DGCLKSJQSA-N 1 0 379.917 2.677 20 0 GFADRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)Nc1ccc(I)cc1F ZINC000565314358 564275822 /nfs/dbraw/zinc/27/58/22/564275822.db2.gz KEWIKSGUYPAEBE-PRHODGIISA-N 1 0 377.201 2.550 20 0 GFADRO CCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cc(Cl)c(OC)c(Cl)c1 ZINC000509018094 564278588 /nfs/dbraw/zinc/27/85/88/564278588.db2.gz UUJCQFXLHDLBDT-LBPRGKRZSA-N 1 0 388.295 2.931 20 0 GFADRO CCOC[C@@H](C)CS(=O)(=O)N(CC[NH+](C)C)Cc1cccc(Cl)c1 ZINC000451132854 564278912 /nfs/dbraw/zinc/27/89/12/564278912.db2.gz XXFGNBWOHGERAI-OAHLLOKOSA-N 1 0 376.950 2.706 20 0 GFADRO CC(C)COC[C@H](O)C[NH2+]Cc1c(F)ccc(I)c1F ZINC000474602764 564282186 /nfs/dbraw/zinc/28/21/86/564282186.db2.gz DAOHCRBHHBMCBR-SNVBAGLBSA-N 1 0 399.219 2.693 20 0 GFADRO Cc1cc(Br)cn2c(CN3CCC(OCC[NH+](C)C)CC3)cnc12 ZINC000541537426 564282397 /nfs/dbraw/zinc/28/23/97/564282397.db2.gz HHLKIEOOYUPZEF-UHFFFAOYSA-N 1 0 395.345 2.948 20 0 GFADRO COCC1(S(=O)(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)CC1 ZINC000451171230 564282645 /nfs/dbraw/zinc/28/26/45/564282645.db2.gz MXDOPUBRRRAPKI-UHFFFAOYSA-N 1 0 386.945 2.650 20 0 GFADRO CC[NH+](CC)CCOCCNC(=O)N[C@H](C)c1ccc(Br)cn1 ZINC000474636027 564284058 /nfs/dbraw/zinc/28/40/58/564284058.db2.gz PJNNCAAYXAHZGB-CYBMUJFWSA-N 1 0 387.322 2.563 20 0 GFADRO CC[C@H]([NH2+]CCS(=O)(=O)c1ccc(Br)cc1)[C@H]1CCCO1 ZINC000541632942 564284845 /nfs/dbraw/zinc/28/48/45/564284845.db2.gz OMANMODIWHKGTQ-LSDHHAIUSA-N 1 0 376.316 2.770 20 0 GFADRO CN(CCC[NH+]1CCCC1)S(=O)(=O)c1cc(F)c(Br)cc1F ZINC000541761125 564287817 /nfs/dbraw/zinc/28/78/17/564287817.db2.gz YGHWSUWKMMSINE-UHFFFAOYSA-N 1 0 397.285 2.834 20 0 GFADRO Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@H]2[NH2+]C[C@](C)(O)C(F)(F)F)cc1 ZINC000541777711 564289155 /nfs/dbraw/zinc/28/91/55/564289155.db2.gz JQOHDHZNAXGMRA-OAGGEKHMSA-N 1 0 379.444 2.983 20 0 GFADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)c1c[nH]c2ccc(Br)cc12 ZINC000474782281 564289614 /nfs/dbraw/zinc/28/96/14/564289614.db2.gz CLZLBACNDVKLEO-CYBMUJFWSA-N 1 0 393.329 2.686 20 0 GFADRO C[C@H](C(=O)Nc1cccc(I)c1)[N@H+](C)CC(C)(C)CO ZINC000451245243 564290844 /nfs/dbraw/zinc/29/08/44/564290844.db2.gz OSVFNOSGVAVYOU-LLVKDONJSA-N 1 0 390.265 2.569 20 0 GFADRO CC(C)OCC[NH+]1CCC(NC(=O)c2[nH]nc(C3CC3)c2Br)CC1 ZINC000474874874 564291685 /nfs/dbraw/zinc/29/16/85/564291685.db2.gz QJZTXWUGGIXJAG-UHFFFAOYSA-N 1 0 399.333 2.669 20 0 GFADRO C[C@@H](CCc1ccc(I)cc1)[NH2+][C@H]1CC(=O)N(C2CC2)C1 ZINC000474871666 564291877 /nfs/dbraw/zinc/29/18/77/564291877.db2.gz YVLQTZIHGCDLOA-WFASDCNBSA-N 1 0 398.288 2.965 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CN(C)S(=O)(=O)Cc1ccc(Br)c(F)c1 ZINC000451270479 564294322 /nfs/dbraw/zinc/29/43/22/564294322.db2.gz SCCXQOHLNWLFPO-CYBMUJFWSA-N 1 0 393.322 2.834 20 0 GFADRO CC(C)[C@H]1C[C@@H]([NH2+]CCNS(=O)(=O)c2ccc(F)cc2Cl)CCO1 ZINC000509411531 564297495 /nfs/dbraw/zinc/29/74/95/564297495.db2.gz UQTLYXOQDGZBLY-DZGCQCFKSA-N 1 0 378.897 2.551 20 0 GFADRO Cn1cc(CN2C[C@@H](F)C[C@H]2C[NH2+]Cc2cc(Br)cs2)cn1 ZINC000475049601 564298492 /nfs/dbraw/zinc/29/84/92/564298492.db2.gz SIYGWUUGPAQOTF-KBPBESRZSA-N 1 0 387.322 2.946 20 0 GFADRO C[C@@H](CNC(=O)c1cn(Cc2ccc(Cl)cc2Cl)nn1)[NH+]1CCCC1 ZINC000565877014 564299754 /nfs/dbraw/zinc/29/97/54/564299754.db2.gz JMKYHDALBZVFFP-LBPRGKRZSA-N 1 0 382.295 2.847 20 0 GFADRO CCN(C)C(=O)[C@@H]([NH2+]CC(=O)Nc1ccc(Br)cc1C)C(C)C ZINC000451317922 564300077 /nfs/dbraw/zinc/30/00/77/564300077.db2.gz XBKZOTBLVSHGAS-INIZCTEOSA-N 1 0 384.318 2.789 20 0 GFADRO CCN(CCC[NH2+][C@@H](C)c1ccc(S(=O)(=O)NC)cc1)CC(F)(F)F ZINC000475133249 564300704 /nfs/dbraw/zinc/30/07/04/564300704.db2.gz YUNZFSDFGLXXCQ-ZDUSSCGKSA-N 1 0 381.464 2.520 20 0 GFADRO NC(=O)CC1([NH2+]Cc2cc(Br)cc(Br)c2N)CCC1 ZINC000475106182 564300749 /nfs/dbraw/zinc/30/07/49/564300749.db2.gz FIVSBKFOYNFPGL-UHFFFAOYSA-N 1 0 391.107 2.682 20 0 GFADRO Cc1cc(F)c(Br)cc1NC(=O)C(=O)NCC[N@H+]1CC=C(C)CC1 ZINC000475198692 564302880 /nfs/dbraw/zinc/30/28/80/564302880.db2.gz XWYNCZPZJZMDHJ-UHFFFAOYSA-N 1 0 398.276 2.603 20 0 GFADRO C[C@H](Cc1ccc(F)c(Br)c1)NC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC000542166380 564303449 /nfs/dbraw/zinc/30/34/49/564303449.db2.gz RLIOPNIYHHQRJJ-CHWSQXEVSA-N 1 0 387.293 2.604 20 0 GFADRO CS[C@H]1CN(S(=O)(=O)c2cccc3c(Cl)ccnc32)C[C@@H]1[NH+](C)C ZINC000451356814 564304453 /nfs/dbraw/zinc/30/44/53/564304453.db2.gz XOAIXKQQYUEYTQ-KBPBESRZSA-N 1 0 385.942 2.554 20 0 GFADRO CCOCC[C@H](O)C[NH2+]Cc1ccc(Cl)cc1I ZINC000566005351 564306037 /nfs/dbraw/zinc/30/60/37/564306037.db2.gz FIEBDFHTUVGWMP-LBPRGKRZSA-N 1 0 383.657 2.822 20 0 GFADRO COC(=O)[C@@H]1CC[N@H+](C[C@@H](O)COc2ccc(Cl)cc2Cl)C[C@@H]1C ZINC000475400967 564307446 /nfs/dbraw/zinc/30/74/46/564307446.db2.gz PSKYWRRVLALSLE-IACUBPJLSA-N 1 0 376.280 2.864 20 0 GFADRO [NH3+]Cc1cn([C@H]2CCCN(C(=O)CCSc3ccc(Cl)cc3)C2)nn1 ZINC000566093263 564308391 /nfs/dbraw/zinc/30/83/91/564308391.db2.gz IDOLDVFNRZNMOB-HNNXBMFYSA-N 1 0 379.917 2.736 20 0 GFADRO C[C@H](Cc1cccc(Br)c1)NC(=O)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000566091252 564308419 /nfs/dbraw/zinc/30/84/19/564308419.db2.gz MZAUECVFSIMQGL-CXAGYDPISA-N 1 0 391.313 2.931 20 0 GFADRO C[C@@H](Cc1cccc(Br)c1)NC(=O)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000566091254 564308583 /nfs/dbraw/zinc/30/85/83/564308583.db2.gz MZAUECVFSIMQGL-GUYCJALGSA-N 1 0 391.313 2.931 20 0 GFADRO O=C(c1cc(F)ccc1Br)N1CC[C@H](OCC[NH+]2CCCC2)C1 ZINC000475452232 564308899 /nfs/dbraw/zinc/30/88/99/564308899.db2.gz MHVJOPQAUJLFCK-AWEZNQCLSA-N 1 0 385.277 2.915 20 0 GFADRO O=C(NC1(c2c(Cl)cccc2Cl)CC1)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000566094559 564309446 /nfs/dbraw/zinc/30/94/46/564309446.db2.gz CGLLVBGZHJQHGD-NSHDSACASA-N 1 0 380.279 2.929 20 0 GFADRO C[C@H](Oc1ccc(F)cc1Br)C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000566102098 564309569 /nfs/dbraw/zinc/30/95/69/564309569.db2.gz LRZGXVKBSCLXCH-SJCJKPOMSA-N 1 0 385.277 2.958 20 0 GFADRO CC[NH+](CC)[C@@H](CNS(=O)(=O)CCOC)c1ccc(C(F)(F)F)cc1 ZINC000509791726 564313391 /nfs/dbraw/zinc/31/33/91/564313391.db2.gz TUTLOYZGIXVOML-HNNXBMFYSA-N 1 0 382.448 2.654 20 0 GFADRO Cc1cc(NC(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)ccc1Br ZINC000509794098 564313882 /nfs/dbraw/zinc/31/38/82/564313882.db2.gz PUSFFDXLEIMGCS-XJKSGUPXSA-N 1 0 394.313 2.781 20 0 GFADRO [NH3+][C@H](CC1CCCCC1)C(=O)NCc1nc2cc(Br)cnc2[nH]1 ZINC000566181110 564315057 /nfs/dbraw/zinc/31/50/57/564315057.db2.gz WXGJDKNKJWJJPK-GFCCVEGCSA-N 1 0 380.290 2.634 20 0 GFADRO O=C(CSCC1CC[NH2+]CC1)NCc1cccc(OCC(F)(F)F)c1 ZINC000566185090 564315242 /nfs/dbraw/zinc/31/52/42/564315242.db2.gz VZUFQXDILSURQU-UHFFFAOYSA-N 1 0 376.444 2.977 20 0 GFADRO C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]C[C@H]1CCCCS1(=O)=O ZINC000542483912 564315568 /nfs/dbraw/zinc/31/55/68/564315568.db2.gz UYVXERFTCXCKDB-GDBMZVCRSA-N 1 0 386.945 2.634 20 0 GFADRO CCC[C@@H]1C[NH2+]CCN1C(=O)Cc1csc(NC(=O)c2cccs2)n1 ZINC000566206484 564316471 /nfs/dbraw/zinc/31/64/71/564316471.db2.gz BUNCTRBTSKCKLE-CYBMUJFWSA-N 1 0 378.523 2.600 20 0 GFADRO CC[NH+](CC)CCO[C@@H]1CCN(S(=O)(=O)CCc2cccc(Cl)c2)C1 ZINC000509907540 564317472 /nfs/dbraw/zinc/31/74/72/564317472.db2.gz GBUHFVYUMDIFHO-GOSISDBHSA-N 1 0 388.961 2.645 20 0 GFADRO Cc1cc(S(=O)(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)sc1Br ZINC000566224362 564318024 /nfs/dbraw/zinc/31/80/24/564318024.db2.gz LKNJFLRFMAKWOL-RYUDHWBXSA-N 1 0 393.372 2.829 20 0 GFADRO C[NH+]1CCN(Cc2ccc(NC(=O)[C@]3(C)CCCO3)cc2Br)CC1 ZINC000475751339 564318050 /nfs/dbraw/zinc/31/80/50/564318050.db2.gz XNPBOTAPFRCMKG-SFHVURJKSA-N 1 0 396.329 2.704 20 0 GFADRO Brc1ccc(CN2CC[C@]3(C2)CCC[NH2+]C3)c(N2CCOCC2)c1 ZINC000566230282 564318464 /nfs/dbraw/zinc/31/84/64/564318464.db2.gz YAPHHFYURYKYQR-LJQANCHMSA-N 1 0 394.357 2.861 20 0 GFADRO COC[C@H](C)CC(=O)Nc1ccc(CN2CC[NH+](C)CC2)c(Br)c1 ZINC000475752375 564318420 /nfs/dbraw/zinc/31/84/20/564318420.db2.gz PIGVKZSFOXXGSO-CQSZACIVSA-N 1 0 398.345 2.808 20 0 GFADRO Cc1nc(-c2ccc(S(=O)(=O)N3CC[C@]4(C3)CCC[NH2+]C4)s2)cs1 ZINC000566228300 564318533 /nfs/dbraw/zinc/31/85/33/564318533.db2.gz FYMJMTFIVLTFSA-MRXNPFEDSA-N 1 0 383.564 2.944 20 0 GFADRO CC[N@@H+]1CCC[C@H](CNC(=O)c2cc(=O)c3cc(Br)ccc3[nH]2)C1 ZINC000542652259 564320311 /nfs/dbraw/zinc/32/03/11/564320311.db2.gz DSSNLVIYFVWWPZ-GFCCVEGCSA-N 1 0 392.297 2.752 20 0 GFADRO C[C@H](C[NH2+][C@H](Cc1ccccc1)C(N)=O)Oc1ccccc1Br ZINC000542730441 564323215 /nfs/dbraw/zinc/32/32/15/564323215.db2.gz XMZAPLIMFOWXNN-CZUORRHYSA-N 1 0 377.282 2.903 20 0 GFADRO COCC[NH2+]C1CCN(C(=O)Nc2ccc(OC)cc2Br)CC1 ZINC000566366263 564324970 /nfs/dbraw/zinc/32/49/70/564324970.db2.gz SJKPLNYZCJWNGJ-UHFFFAOYSA-N 1 0 386.290 2.690 20 0 GFADRO CO[C@@H]1CCN(CCS(=O)(=O)c2cccc(Br)c2)CC1(C)C ZINC000451561127 564325543 /nfs/dbraw/zinc/32/55/43/564325543.db2.gz HQZWELYQGPBZQM-OAHLLOKOSA-N 1 0 390.343 2.970 20 0 GFADRO CSc1cccc(S(=O)(=O)N2CCC(CC[NH+]3CCOCC3)CC2)c1 ZINC000510114085 564326182 /nfs/dbraw/zinc/32/61/82/564326182.db2.gz SYNTYKRORZVABL-UHFFFAOYSA-N 1 0 384.567 2.532 20 0 GFADRO CSC1(CNS(=O)(=O)C2CCC(C(F)(F)F)CC2)CC[NH+](C)CC1 ZINC000451576021 564327460 /nfs/dbraw/zinc/32/74/60/564327460.db2.gz ZFRKRUCESALJMS-UHFFFAOYSA-N 1 0 388.521 2.854 20 0 GFADRO C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N[C@@H](C)C1=CC[N@H+](C)CC1 ZINC000542826071 564327435 /nfs/dbraw/zinc/32/74/35/564327435.db2.gz KTNKNUICEVPYEU-RYUDHWBXSA-N 1 0 384.307 2.878 20 0 GFADRO C[C@@H](NC(=O)NCc1n[nH]cc1Br)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000542829469 564327957 /nfs/dbraw/zinc/32/79/57/564327957.db2.gz PEZDMLKMOUVTKO-VXGBXAGGSA-N 1 0 384.322 2.624 20 0 GFADRO COc1ccc(S(=O)(=O)N2CC3CCC2(C[NH3+])CC3)c(Cl)c1Cl ZINC000566479738 564328986 /nfs/dbraw/zinc/32/89/86/564328986.db2.gz BBWMRRQNMPXPJA-UHFFFAOYSA-N 1 0 379.309 2.894 20 0 GFADRO O=C(NCc1nnc(C2CC[NH2+]CC2)[nH]1)NCc1cccc(Cl)c1Cl ZINC000566507602 564330929 /nfs/dbraw/zinc/33/09/29/564330929.db2.gz ITGDGRYDMCCRCR-UHFFFAOYSA-N 1 0 383.283 2.578 20 0 GFADRO CC(C)[NH2+]CCCNC(=O)C(=O)N(Cc1cccc(Br)c1)C(C)C ZINC000566552039 564331188 /nfs/dbraw/zinc/33/11/88/564331188.db2.gz ZOBOPHSAGZVXJR-UHFFFAOYSA-N 1 0 398.345 2.690 20 0 GFADRO Cc1ccc(Br)c(S(=O)(=O)N[C@@H](c2nccn2C)C2CC2)c1 ZINC000510440786 564333156 /nfs/dbraw/zinc/33/31/56/564333156.db2.gz DMMQZYNUXNZXHA-CQSZACIVSA-N 1 0 384.299 2.921 20 0 GFADRO CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000510445356 564333767 /nfs/dbraw/zinc/33/37/67/564333767.db2.gz QBNCADOROQMIRV-CQSZACIVSA-N 1 0 386.323 2.752 20 0 GFADRO O=S(=O)(CC[NH2+]CC1(N2CCSCC2)CCCCC1)c1ccccc1 ZINC000566615192 564334274 /nfs/dbraw/zinc/33/42/74/564334274.db2.gz HCPHJWXUVURJAQ-UHFFFAOYSA-N 1 0 382.595 2.802 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(C(=O)NCCc3c[nH]c4cccc(Br)c34)C[C@@H]21 ZINC000566606178 564334620 /nfs/dbraw/zinc/33/46/20/564334620.db2.gz ROIZJCQYGISOHK-CJNGLKHVSA-N 1 0 391.313 2.818 20 0 GFADRO O=C(Nc1ccn(-c2ccc(Cl)cc2Cl)n1)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000566608566 564334645 /nfs/dbraw/zinc/33/46/45/564334645.db2.gz UKOYZJXRXIDHHA-RYUDHWBXSA-N 1 0 380.279 3.252 20 0 GFADRO O=C(c1ncccc1Br)N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000476338437 564335791 /nfs/dbraw/zinc/33/57/91/564335791.db2.gz ZMPUZNAXRNAREA-AWEZNQCLSA-N 1 0 382.302 2.561 20 0 GFADRO Cc1ccccc1[C@H]([C@H](C)NC(=O)Cn1cc(Br)cn1)[NH+](C)C ZINC000510527371 564337588 /nfs/dbraw/zinc/33/75/88/564337588.db2.gz XIBQVDGNCXETCX-GUYCJALGSA-N 1 0 379.302 2.762 20 0 GFADRO OCC1(C[NH2+]C[C@H](O)COc2ccc(Br)cc2)CC2(CCC2)C1 ZINC000566678707 564338144 /nfs/dbraw/zinc/33/81/44/564338144.db2.gz IYXQHMLJAWUIMC-HNNXBMFYSA-N 1 0 384.314 2.721 20 0 GFADRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1S(=O)(=O)c1cc(Br)ccc1F ZINC000510554957 564338752 /nfs/dbraw/zinc/33/87/52/564338752.db2.gz SPCFAWJFAVSBHO-YPMHNXCESA-N 1 0 391.306 2.836 20 0 GFADRO COc1ccc(Br)c(CNC(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)c1 ZINC000510568125 564339546 /nfs/dbraw/zinc/33/95/46/564339546.db2.gz CRUFIPQRZBTHBM-LBPRGKRZSA-N 1 0 382.302 2.907 20 0 GFADRO O=S(=O)(CC[NH2+][C@@H]1COc2ccccc2C1)c1cccc(Br)c1 ZINC000566733641 564340271 /nfs/dbraw/zinc/34/02/71/564340271.db2.gz XBZKVHYHKBRJBP-HNNXBMFYSA-N 1 0 396.306 2.816 20 0 GFADRO O=C(C[NH2+]CC1CC1)N(CCn1ccnc1)Cc1ccccc1Br ZINC000566736509 564341435 /nfs/dbraw/zinc/34/14/35/564341435.db2.gz CTDCBKRNIDNSOR-UHFFFAOYSA-N 1 0 391.313 2.674 20 0 GFADRO CC[NH+](CC)CCO[C@H]1CCN(S(=O)(=O)c2ccc(C(F)F)cc2)C1 ZINC000566744870 564341445 /nfs/dbraw/zinc/34/14/45/564341445.db2.gz XLUBNHGWTAUHFX-HNNXBMFYSA-N 1 0 376.469 2.746 20 0 GFADRO Cc1cc(NC(=O)CC[NH2+]CC2(c3cccc(Br)c3)CC2)no1 ZINC000566792333 564344072 /nfs/dbraw/zinc/34/40/72/564344072.db2.gz SGUCMHAOSIWXGC-UHFFFAOYSA-N 1 0 378.270 3.396 20 0 GFADRO C[C@H](CNS(=O)(=O)c1ccc(Cl)cc1Br)[N@H+](C)C1CC1 ZINC000543247124 564344852 /nfs/dbraw/zinc/34/48/52/564344852.db2.gz ULRIXLSOEOSXCD-SECBINFHSA-N 1 0 381.723 2.864 20 0 GFADRO C[C@H](NC(=O)C1=Cc2cc(Br)ccc2OC1)C1=CC[N@H+](C)CC1 ZINC000510772113 564346391 /nfs/dbraw/zinc/34/63/91/564346391.db2.gz BZZJCVHUQGTJHA-LBPRGKRZSA-N 1 0 377.282 2.992 20 0 GFADRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)[C@H](c1ccc(Br)cc1)N1CCCC1 ZINC000566854765 564346723 /nfs/dbraw/zinc/34/67/23/564346723.db2.gz LTKKWQPMUIEHCZ-COXVUDFISA-N 1 0 380.330 2.700 20 0 GFADRO O=C(NCCc1c[nH]c2ccc(Br)cc12)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000543377876 564347678 /nfs/dbraw/zinc/34/76/78/564347678.db2.gz QMURXKMACLEZQQ-OAHLLOKOSA-N 1 0 391.313 2.963 20 0 GFADRO C[C@@H]1CN(S(=O)(=O)Cc2ccc(Cl)cc2Br)CC[C@@H]1[NH3+] ZINC000566914349 564349815 /nfs/dbraw/zinc/34/98/15/564349815.db2.gz LVDNXAVPQKNSQJ-RNCFNFMXSA-N 1 0 381.723 2.601 20 0 GFADRO CCCC[N@H+](C)C[C@H](C)NS(=O)(=O)c1cc(OC)ccc1Br ZINC000566937078 564350610 /nfs/dbraw/zinc/35/06/10/564350610.db2.gz LGMYIXCLVXVPLQ-LBPRGKRZSA-N 1 0 393.347 2.856 20 0 GFADRO CC(C)n1cc([C@@H](C)[NH2+]CCNS(=O)(=O)c2ccc(F)cc2Cl)cn1 ZINC000510998912 564352853 /nfs/dbraw/zinc/35/28/53/564352853.db2.gz LTRVOZVGHWGDPT-GFCCVEGCSA-N 1 0 388.896 2.886 20 0 GFADRO CCO[C@H]1C[C@@H]([NH2+]CCNS(=O)(=O)c2ccc(F)cc2Cl)C12CCC2 ZINC000511038513 564354822 /nfs/dbraw/zinc/35/48/22/564354822.db2.gz RKUZFMYKTVRLTF-CVEARBPZSA-N 1 0 390.908 2.695 20 0 GFADRO CCS(=O)(=O)N1CCC(C[NH2+]Cc2cc(Cl)c(OC)c(OC)c2)CC1 ZINC000543643465 564357092 /nfs/dbraw/zinc/35/70/92/564357092.db2.gz WVSXYIWBPSLTFH-UHFFFAOYSA-N 1 0 390.933 2.509 20 0 GFADRO CC[NH+](CC)CCOCCNC(=O)NCc1cc(F)ccc1Br ZINC000543637809 564357439 /nfs/dbraw/zinc/35/74/39/564357439.db2.gz KEAAKNMGNUKEOJ-UHFFFAOYSA-N 1 0 390.297 2.746 20 0 GFADRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)Cc1ccc(Br)s1 ZINC000511118386 564357771 /nfs/dbraw/zinc/35/77/71/564357771.db2.gz CACLAIQVHLFRRR-LBPRGKRZSA-N 1 0 375.332 2.622 20 0 GFADRO Cc1ccc(-c2csc(CN3CCC[C@H](S(=O)(=O)N(C)C)C3)n2)cc1 ZINC000511121948 564358797 /nfs/dbraw/zinc/35/87/97/564358797.db2.gz GMEQMYIDYSPVCD-INIZCTEOSA-N 1 0 379.551 2.974 20 0 GFADRO O[C@H](COc1cc(Cl)ccc1Cl)C[N@@H+]1CC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000451882488 564362204 /nfs/dbraw/zinc/36/22/04/564362204.db2.gz CEGYEEMBHXKCLK-CHIMOYNISA-N 1 0 388.213 2.978 20 0 GFADRO O=S(=O)(CC[NH+]1CCCC1)N1CCC(c2nc3c(s2)CCCC3)CC1 ZINC000567263454 564364118 /nfs/dbraw/zinc/36/41/18/564364118.db2.gz OHOZHOZSVMEQAL-UHFFFAOYSA-N 1 0 383.583 2.627 20 0 GFADRO C[C@H]1CCC[N@H+](CCNC(=O)N[C@H](CCO)c2ccccc2Br)C1 ZINC000543820300 564364988 /nfs/dbraw/zinc/36/49/88/564364988.db2.gz XDMLPCRSXZKQRV-WMLDXEAASA-N 1 0 398.345 2.904 20 0 GFADRO CC(C)[N@@H+]1CCC[C@H](NS(=O)(=O)Cc2ccc(Br)cc2)C1 ZINC000477125906 564365282 /nfs/dbraw/zinc/36/52/82/564365282.db2.gz JHMCTCFHDQRKQK-HNNXBMFYSA-N 1 0 375.332 2.741 20 0 GFADRO Cc1c(Br)cccc1CN1CC[NH+]([C@H]2CCNC(=O)CC2)CC1 ZINC000451919335 564367409 /nfs/dbraw/zinc/36/74/09/564367409.db2.gz RQQOEXHKCYDMID-MRXNPFEDSA-N 1 0 380.330 2.544 20 0 GFADRO CCCN(CC[NH+]1CCCC1)S(=O)(=O)c1ccc(Br)cc1 ZINC000511348715 564368941 /nfs/dbraw/zinc/36/89/41/564368941.db2.gz YLEGKPZOKVKHQZ-UHFFFAOYSA-N 1 0 375.332 2.946 20 0 GFADRO CN(C(=O)c1ccc(F)c(I)c1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000477230577 564369944 /nfs/dbraw/zinc/36/99/44/564369944.db2.gz VYKBEAJATXVVBL-LBPRGKRZSA-N 1 0 388.224 2.739 20 0 GFADRO COCCNC(=O)[C@H]1CC[C@H](C)[N@H+](Cc2cc(Br)cs2)C1 ZINC000511502288 564374776 /nfs/dbraw/zinc/37/47/76/564374776.db2.gz BVSHLYXIBGMDFT-RYUDHWBXSA-N 1 0 375.332 2.874 20 0 GFADRO C[C@@H]1C[C@@H](C)CN(C(=O)C[NH2+][C@](C)(CO)c2ccc(Br)cc2)C1 ZINC000511547723 564375468 /nfs/dbraw/zinc/37/54/68/564375468.db2.gz VKCQDEQRSAIUSQ-HBUWYVDXSA-N 1 0 383.330 2.751 20 0 GFADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@H]1COc2cc(F)ccc2C1 ZINC000567522283 564375737 /nfs/dbraw/zinc/37/57/37/564375737.db2.gz LEPQCYCBYJVGFV-IAQYHMDHSA-N 1 0 381.245 2.732 20 0 GFADRO C[C@](CO)([NH2+]CCC(=O)Nc1cccnc1)c1ccc(Br)cc1 ZINC000511585478 564376613 /nfs/dbraw/zinc/37/66/13/564376613.db2.gz BWRYDHDVCDQXRG-QGZVFWFLSA-N 1 0 378.270 2.670 20 0 GFADRO [NH3+]CC[C@@H]1CCCCN1C(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000567672087 564382051 /nfs/dbraw/zinc/38/20/51/564382051.db2.gz AYMAPAVPUOFBKJ-KBPBESRZSA-N 1 0 394.313 2.532 20 0 GFADRO O=C(C[C@@H]1COCC[NH2+]1)NCC1(c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000567674993 564382432 /nfs/dbraw/zinc/38/24/32/564382432.db2.gz VIIRPPCWLITOLV-GFCCVEGCSA-N 1 0 376.806 2.885 20 0 GFADRO O=C(NCC[N@H+]1CC=CCC1)[C@@H](c1ccc(Br)cc1)N1CCCC1 ZINC000477641919 564383284 /nfs/dbraw/zinc/38/32/84/564383284.db2.gz YGNPKNLUUDWPHC-GOSISDBHSA-N 1 0 392.341 2.964 20 0 GFADRO CCc1nc(NC(=O)C[N@H+](C)C2CCN(CC(F)(F)F)CC2)sc1C ZINC000452029182 564384503 /nfs/dbraw/zinc/38/45/03/564384503.db2.gz DAHHMRACRPRVQH-UHFFFAOYSA-N 1 0 378.464 2.911 20 0 GFADRO CC[N@@H+]1CCC[C@H](CNC(=O)c2cccc(F)c2I)C1 ZINC000544553322 564388357 /nfs/dbraw/zinc/38/83/57/564388357.db2.gz CIMKFXUZJOPEFM-LLVKDONJSA-N 1 0 390.240 2.892 20 0 GFADRO Cc1ccc(Br)c(S(=O)(=O)N(C)CCC[NH+]2CCCC2)c1 ZINC000544598319 564389628 /nfs/dbraw/zinc/38/96/28/564389628.db2.gz NUOJYLQOIYBCCD-UHFFFAOYSA-N 1 0 375.332 2.864 20 0 GFADRO CN(Cc1ccccc1Br)C(=O)C[NH2+]C(C)(C)CN1CCCC1 ZINC000452091408 564390801 /nfs/dbraw/zinc/39/08/01/564390801.db2.gz STNFLCWBFWKCSA-UHFFFAOYSA-N 1 0 382.346 2.872 20 0 GFADRO C[C@H](c1ccccc1Br)[N@@H+]1CCC[C@@](O)(C(=O)N2CCCC2)C1 ZINC000452093148 564390934 /nfs/dbraw/zinc/39/09/34/564390934.db2.gz IMBSTMREGZAQNM-KDOFPFPSSA-N 1 0 381.314 2.959 20 0 GFADRO O=C(CC[C@@H]1CC[NH2+]C1)N1CCN(Cc2cc(Br)ccc2F)CC1 ZINC000567823153 564390955 /nfs/dbraw/zinc/39/09/55/564390955.db2.gz KKWWKHHHBDNVNZ-CQSZACIVSA-N 1 0 398.320 2.622 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H](CNC(=O)[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C1 ZINC000567845160 564391404 /nfs/dbraw/zinc/39/14/04/564391404.db2.gz MQNCBMVNKBSQKI-YRGRVCCFSA-N 1 0 384.307 2.980 20 0 GFADRO O=S(=O)(NCCC[C@H]1CCC[NH2+]1)c1ccc(Cl)c(Br)c1 ZINC000567862057 564392383 /nfs/dbraw/zinc/39/23/83/564392383.db2.gz IUNGXZGMEXXZHG-SNVBAGLBSA-N 1 0 381.723 2.913 20 0 GFADRO O=S(=O)(N[C@H]1CCCN(Cc2ccc(F)cc2Cl)C1)[C@@H]1CCCOC1 ZINC000544660592 564392725 /nfs/dbraw/zinc/39/27/25/564392725.db2.gz JIRJBOUPBKTXHQ-JKSUJKDBSA-N 1 0 390.908 2.542 20 0 GFADRO CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N[C@@H](CC[NH3+])C(F)F ZINC000567849352 564393057 /nfs/dbraw/zinc/39/30/57/564393057.db2.gz WABOTQWEOVNEMW-KBPBESRZSA-N 1 0 375.847 2.583 20 0 GFADRO CC(C)[N@@H+]1CC[C@@H](N(C)S(=O)(=O)Cc2ccc(Br)c(F)c2)C1 ZINC000452109628 564393763 /nfs/dbraw/zinc/39/37/63/564393763.db2.gz YSRPUQUAGUBCFH-CYBMUJFWSA-N 1 0 393.322 2.833 20 0 GFADRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C[C@@H](O)COc1ccc(Br)cc1 ZINC000512215447 564394474 /nfs/dbraw/zinc/39/44/74/564394474.db2.gz VSOQPFPSXAHYBZ-DJIMGWMZSA-N 1 0 383.330 2.747 20 0 GFADRO C[N@@H+]1CC[C@@H]2CCN(Cc3cn(-c4ccccc4Br)nn3)[C@@H]2C1 ZINC000567883998 564394750 /nfs/dbraw/zinc/39/47/50/564394750.db2.gz RJTXQTTWGRYBTB-CXAGYDPISA-N 1 0 376.302 2.556 20 0 GFADRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)Cc3ccc(C)cc3Br)[C@H]2C1 ZINC000452138698 564396171 /nfs/dbraw/zinc/39/61/71/564396171.db2.gz GZOKUBRYUCQGQA-DLBZAZTESA-N 1 0 381.314 2.622 20 0 GFADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCc3cc(Br)ccc32)C1 ZINC000567945512 564397601 /nfs/dbraw/zinc/39/76/01/564397601.db2.gz VFSVHARHJPHUFE-FUHWJXTLSA-N 1 0 395.341 2.952 20 0 GFADRO C[N@@H+]1CCCC[C@H]1CCC(=O)NCCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000452169126 564398447 /nfs/dbraw/zinc/39/84/47/564398447.db2.gz NPCGMRWMGRDZBB-INIZCTEOSA-N 1 0 386.945 2.885 20 0 GFADRO C[C@@H]1C[C@@H](N2CCOCC2)C[N@@H+]1C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000512450255 564402282 /nfs/dbraw/zinc/40/22/82/564402282.db2.gz QEOUJQDTKXXGDX-RBSFLKMASA-N 1 0 389.323 2.528 20 0 GFADRO COCC[NH2+]C1CCN(C(=O)Nc2cc(F)cc(Br)c2F)CC1 ZINC000568072565 564403758 /nfs/dbraw/zinc/40/37/58/564403758.db2.gz GPIAUHXXHHWZNI-UHFFFAOYSA-N 1 0 392.244 2.960 20 0 GFADRO O=C(NC[C@@H]1CCC[N@H+]1CCCO)[C@@H]1C[C@@H]1c1cccc(Br)c1 ZINC000452351594 564407730 /nfs/dbraw/zinc/40/77/30/564407730.db2.gz QGZPKGRNHSKOKE-GVDBMIGSSA-N 1 0 381.314 2.516 20 0 GFADRO O=C(N[C@@H]1CCC[N@@H+](CCCO)C1)[C@H]1C[C@@H]1c1cccc(Br)c1 ZINC000452372870 564410200 /nfs/dbraw/zinc/41/02/00/564410200.db2.gz FAQLJWPIBBZYFB-ZACQAIPSSA-N 1 0 381.314 2.516 20 0 GFADRO COC1(C(F)(F)F)CCN(C(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)CC1 ZINC000568228283 564410288 /nfs/dbraw/zinc/41/02/88/564410288.db2.gz URDKLVNXLKRRQE-CQSZACIVSA-N 1 0 380.476 2.774 20 0 GFADRO COc1cc(Br)ccc1[C@H](C)NC(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000568232865 564410377 /nfs/dbraw/zinc/41/03/77/564410377.db2.gz ONGYFYVQOFGATI-YNEHKIRRSA-N 1 0 382.302 2.770 20 0 GFADRO O=C(NC[C@H]1CCCC[N@H+]1CCO)c1ccc(Cl)cc1Br ZINC000452384365 564411104 /nfs/dbraw/zinc/41/11/04/564411104.db2.gz BTDHCSNMAIUWMC-GFCCVEGCSA-N 1 0 375.694 2.679 20 0 GFADRO O=C(NC[C@@H]1CCCC[N@H+]1CCO)c1ccc(Br)c(Cl)c1F ZINC000452380702 564411138 /nfs/dbraw/zinc/41/11/38/564411138.db2.gz UDKPGYVBYMWCIU-JTQLQIEISA-N 1 0 393.684 2.818 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)c2cccnc2Oc2ccc(Cl)cc2Cl)CCO1 ZINC000478711043 564412617 /nfs/dbraw/zinc/41/26/17/564412617.db2.gz CWPSTOSUFJPGGM-GFCCVEGCSA-N 1 0 382.247 2.980 20 0 GFADRO CS(=O)(=O)N[C@@H]1CCCC[C@H]1C[NH2+]Cc1ccc(OC(F)F)c(F)c1 ZINC000512850068 564413629 /nfs/dbraw/zinc/41/36/29/564413629.db2.gz HSMYRMXEJNFQOL-GXTWGEPZSA-N 1 0 380.432 2.625 20 0 GFADRO CS(=O)(=O)N[C@@H]1CCCC[C@@H]1C[NH2+]Cc1ccc(OC(F)F)c(F)c1 ZINC000512850071 564413761 /nfs/dbraw/zinc/41/37/61/564413761.db2.gz HSMYRMXEJNFQOL-TZMCWYRMSA-N 1 0 380.432 2.625 20 0 GFADRO CS(=O)(=O)N[C@H]1CCCC[C@@H]1C[NH2+]Cc1ccc(OC(F)F)c(F)c1 ZINC000512850070 564414073 /nfs/dbraw/zinc/41/40/73/564414073.db2.gz HSMYRMXEJNFQOL-OCCSQVGLSA-N 1 0 380.432 2.625 20 0 GFADRO CS(=O)(=O)N[C@@H]1CCCC[C@H]1C[NH2+]Cc1ccc(Br)cc1 ZINC000512869069 564414787 /nfs/dbraw/zinc/41/47/87/564414787.db2.gz MWAIBALGHBJRJV-DZGCQCFKSA-N 1 0 375.332 2.647 20 0 GFADRO CC(C)[C@@H]1CN(Cc2cn(-c3ccccc3Br)nn2)CC[N@@H+]1C ZINC000568338148 564414984 /nfs/dbraw/zinc/41/49/84/564414984.db2.gz TWEASUFQULROPK-KRWDZBQOSA-N 1 0 378.318 2.802 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CC[NH2+]C[C@@H](O)CCOC(C)C ZINC000568382035 564416782 /nfs/dbraw/zinc/41/67/82/564416782.db2.gz KCKLXIJWSFARFI-HNNXBMFYSA-N 1 0 387.318 2.852 20 0 GFADRO O=C(NCCCn1cc(Br)cn1)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000568435460 564418346 /nfs/dbraw/zinc/41/83/46/564418346.db2.gz SRGKATOUGSZAFU-CQSZACIVSA-N 1 0 383.334 2.807 20 0 GFADRO COC(=O)c1cn(CC[NH2+][C@H]2CC(C)(C)c3ccc(Br)cc32)nn1 ZINC000568421398 564418361 /nfs/dbraw/zinc/41/83/61/564418361.db2.gz AXCLACVVARNFHK-AWEZNQCLSA-N 1 0 393.285 2.839 20 0 GFADRO Cc1ccc(Br)c(S(=O)(=O)NCC[NH2+][C@@H]2CCC[C@@H]2C)c1 ZINC000513041139 564418637 /nfs/dbraw/zinc/41/86/37/564418637.db2.gz NDCCQEVAWHMNMN-GXTWGEPZSA-N 1 0 375.332 2.814 20 0 GFADRO CCc1nnc(NC(=O)[C@H](C)[C@H](C)[NH2+]Cc2cc(C(F)(F)F)n[nH]2)s1 ZINC000513094375 564419639 /nfs/dbraw/zinc/41/96/39/564419639.db2.gz ICBDRGLKIGUATF-SFYZADRCSA-N 1 0 376.408 2.595 20 0 GFADRO Cc1nnc([C@@H](C)NC(=O)NCC2([NH+]3CCSCC3)CCCCC2)s1 ZINC000545400073 564421906 /nfs/dbraw/zinc/42/19/06/564421906.db2.gz IURQRJMTUSWZJU-CYBMUJFWSA-N 1 0 383.587 2.958 20 0 GFADRO COC(=O)C[C@](C)([NH2+]CC(=O)N1CCCCC1)c1ccc(Br)cc1 ZINC000513165352 564422662 /nfs/dbraw/zinc/42/26/62/564422662.db2.gz IBDGTFFECBRXRI-SFHVURJKSA-N 1 0 397.313 2.830 20 0 GFADRO C[C@H]1C[C@H](NC(=O)C(=O)Nc2ccc(Cl)cc2Br)CC[N@@H+]1C ZINC000479035686 564423491 /nfs/dbraw/zinc/42/34/91/564423491.db2.gz SIFGBRQLVSZIAP-GXSJLCMTSA-N 1 0 388.693 2.640 20 0 GFADRO Cc1c(Br)cccc1CC(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000479077679 564423814 /nfs/dbraw/zinc/42/38/14/564423814.db2.gz LREKZZOETOJSOO-UHFFFAOYSA-N 1 0 383.330 2.869 20 0 GFADRO Cc1nc(-c2ccc(I)cc2)nn1CC[C@@H]1CC[NH2+]C1 ZINC000568617890 564426770 /nfs/dbraw/zinc/42/67/70/564426770.db2.gz DHFIIZOQDKVIID-LBPRGKRZSA-N 1 0 382.249 2.858 20 0 GFADRO COC(=O)c1cn([C@H]2CC[N@H+](CCCc3ccccc3Br)C2)nn1 ZINC000545521258 564427305 /nfs/dbraw/zinc/42/73/05/564427305.db2.gz QFTRQIKOZPXONB-AWEZNQCLSA-N 1 0 393.285 2.707 20 0 GFADRO O=C(Nc1cc(Cl)ccc1Cl)[C@@H]1CCCCN1CCN1CC[NH2+]CC1 ZINC000568630362 564427594 /nfs/dbraw/zinc/42/75/94/564427594.db2.gz IOXNVZSKYRXSQB-KRWDZBQOSA-N 1 0 385.339 2.692 20 0 GFADRO O=S(=O)(c1ccc(C[NH2+][C@H](C2CC2)C2CCCC2)s1)N1CCOCC1 ZINC000568717058 564431503 /nfs/dbraw/zinc/43/15/03/564431503.db2.gz FOWSSLFFRHARQB-SFHVURJKSA-N 1 0 384.567 2.827 20 0 GFADRO Cc1cc(Br)cc(Cl)c1C(=O)NC[C@H]1CCCC[N@@H+]1CCO ZINC000452799334 564431963 /nfs/dbraw/zinc/43/19/63/564431963.db2.gz QAAZUVSJSHBENS-CYBMUJFWSA-N 1 0 389.721 2.988 20 0 GFADRO C[C@@]1(C[NH2+]C[C@H](O)COc2ccc(Cl)cc2Br)CCOC1 ZINC000568741437 564432367 /nfs/dbraw/zinc/43/23/67/564432367.db2.gz UTCWZLZQVATNIR-WFASDCNBSA-N 1 0 378.694 2.858 20 0 GFADRO CC[C@@H](NC(=O)NC[C@H]1C[NH2+]CCCO1)c1cc(F)cc(Br)c1 ZINC000568731019 564432523 /nfs/dbraw/zinc/43/25/23/564432523.db2.gz GSSFDKWTDWRTOC-HUUCEWRRSA-N 1 0 388.281 2.717 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2ccc(NC(C)=O)c(Cl)c2)C[C@@H]1C ZINC000479237359 564432911 /nfs/dbraw/zinc/43/29/11/564432911.db2.gz HEQSNHCSWGDLQL-JSGCOSHPSA-N 1 0 387.933 2.792 20 0 GFADRO Cc1cc(NC(=O)CNC(=O)C[C@H]2CCCC[C@@H]2[NH3+])ccc1Br ZINC000568745276 564433603 /nfs/dbraw/zinc/43/36/03/564433603.db2.gz UZJGMQQKQRKDRY-DOMZBBRYSA-N 1 0 382.302 2.720 20 0 GFADRO CN(c1ncnc2cccc(I)c21)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000545864667 564434615 /nfs/dbraw/zinc/43/46/15/564434615.db2.gz FWHDQJVCQHFATO-LBPRGKRZSA-N 1 0 394.260 2.907 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)NCc2cc(Br)cc3c2OCC3)CC[N@@H+]1C ZINC000545901019 564436437 /nfs/dbraw/zinc/43/64/37/564436437.db2.gz FXRTWPNHWAFUHT-IAQYHMDHSA-N 1 0 382.302 2.666 20 0 GFADRO C[C@H]([NH2+]C[C@H](O)COc1ccc2c(c1)OCO2)c1ccc(Br)cn1 ZINC000479355133 564437287 /nfs/dbraw/zinc/43/72/87/564437287.db2.gz DBZWMQZPLDPQHX-AAEUAGOBSA-N 1 0 395.253 2.663 20 0 GFADRO CC[N@@H+]1CC[C@@H](CN[C@@H](C)c2cc(S(N)(=O)=O)c(Cl)cc2Cl)C1 ZINC000479364954 564437670 /nfs/dbraw/zinc/43/76/70/564437670.db2.gz SJYKHUUGMVSKEH-QWRGUYRKSA-N 1 0 380.341 2.633 20 0 GFADRO C[C@@H]1CCc2ccc(Br)cc2[C@H]([NH2+]CC(=O)N2CCOCC2)C1 ZINC000479410016 564439138 /nfs/dbraw/zinc/43/91/38/564439138.db2.gz GEPUMXTUAYBCNK-CXAGYDPISA-N 1 0 381.314 2.911 20 0 GFADRO CS(=O)(=O)N1CC[C@@H](C[N@H+](Cc2cccc(Br)c2)C2CC2)C1 ZINC000513894037 564441805 /nfs/dbraw/zinc/44/18/05/564441805.db2.gz FMLZDRRDXIYSQF-AWEZNQCLSA-N 1 0 387.343 2.695 20 0 GFADRO C[C@@H](c1ccccc1Br)[N@H+](C)C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000513897079 564442276 /nfs/dbraw/zinc/44/22/76/564442276.db2.gz KCWCHPMQIDMNGH-QWHCGFSZSA-N 1 0 375.332 2.723 20 0 GFADRO CCN(CC)[C@H](C)C[NH2+][C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000479491556 564442494 /nfs/dbraw/zinc/44/24/94/564442494.db2.gz SRXXPINFXRDHNT-DOMZBBRYSA-N 1 0 389.359 2.988 20 0 GFADRO O=S(=O)(NCCCCC[NH+]1CCCCC1)c1ccc(Br)o1 ZINC000546074085 564443811 /nfs/dbraw/zinc/44/38/11/564443811.db2.gz IAXSLSQQZUZIHI-UHFFFAOYSA-N 1 0 379.320 2.977 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3nn(-c4ccc(F)cc4)cc3Br)C[C@@H]21 ZINC000453036979 564444068 /nfs/dbraw/zinc/44/40/68/564444068.db2.gz OLEADMAWUBNXJT-ABAIWWIYSA-N 1 0 393.260 2.550 20 0 GFADRO C[N@H+](C[C@@H](O)COc1ccc(Cl)cc1Br)CC1(O)CCC1 ZINC000546094724 564444946 /nfs/dbraw/zinc/44/49/46/564444946.db2.gz UAZGYRBCSMLVFS-GFCCVEGCSA-N 1 0 378.694 2.689 20 0 GFADRO COC(=O)[C@@H](Sc1nnnn1CC[NH+](C)C)c1cccc(Cl)c1Cl ZINC000514104306 564445540 /nfs/dbraw/zinc/44/55/40/564445540.db2.gz JEBKEYAHXUGZOM-LBPRGKRZSA-N 1 0 390.296 2.548 20 0 GFADRO CC(=O)N1CCN(CC[NH2+][C@H]2CCCCc3ccc(Br)cc32)CC1 ZINC000453060256 564445886 /nfs/dbraw/zinc/44/58/86/564445886.db2.gz NZANSKKQRAOMFD-IBGZPJMESA-N 1 0 394.357 2.970 20 0 GFADRO COc1ccc(Br)c(C(=O)NCCC[NH2+][C@@H](C)c2ccncn2)c1 ZINC000453103975 564446824 /nfs/dbraw/zinc/44/68/24/564446824.db2.gz BQGOTKNPBHSWGO-LBPRGKRZSA-N 1 0 393.285 2.718 20 0 GFADRO O=C(c1cnn([C@H]2CCC[NH2+]C2)c1)N1CCc2c(Br)cccc2C1 ZINC000569093358 564448697 /nfs/dbraw/zinc/44/86/97/564448697.db2.gz KKZVCQXYWGSXAF-HNNXBMFYSA-N 1 0 389.297 2.769 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)CCc2ccc(Br)cc2)CC12CCOCC2 ZINC000569119441 564450012 /nfs/dbraw/zinc/45/00/12/564450012.db2.gz NPZWJTFGWOZANC-OAHLLOKOSA-N 1 0 381.314 2.596 20 0 GFADRO CCN(C)C(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(F)c(I)c1 ZINC000453224802 564450147 /nfs/dbraw/zinc/45/01/47/564450147.db2.gz XBGNMUHVQRQFRN-VHSXEESVSA-N 1 0 378.229 2.948 20 0 GFADRO Brc1ccccc1C[C@@H]([NH2+]Cc1nnnn1CC1CC1)C1CC1 ZINC000453190911 564450180 /nfs/dbraw/zinc/45/01/80/564450180.db2.gz DLKOOMJJYBDCNF-MRXNPFEDSA-N 1 0 376.302 2.957 20 0 GFADRO O=C(CCNC(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1)Nc1cc(Cl)cc(Cl)c1 ZINC000514591510 564450591 /nfs/dbraw/zinc/45/05/91/564450591.db2.gz GDCAREOJRVNNFJ-IAQYHMDHSA-N 1 0 385.295 2.715 20 0 GFADRO COc1cc2c(cc1OC)[C@H]([NH2+]CCn1cc(Br)ccc1=O)CC2 ZINC000453248324 564451137 /nfs/dbraw/zinc/45/11/37/564451137.db2.gz LDOWZQHUSUXQOY-OAHLLOKOSA-N 1 0 393.281 2.905 20 0 GFADRO C[C@@H]([NH2+][C@@H]1CCCN(CCCO)C1)c1ccc(I)cc1 ZINC000453253128 564451213 /nfs/dbraw/zinc/45/12/13/564451213.db2.gz CNDFPKLHZAAJKW-CZUORRHYSA-N 1 0 388.293 2.789 20 0 GFADRO COc1ccc(Cl)cc1[C@@H](CC(C)C)[NH2+]C[C@@]1(O)CCS(=O)(=O)C1 ZINC000453271701 564451267 /nfs/dbraw/zinc/45/12/67/564451267.db2.gz HCPLHXCLEXCUQP-WBVHZDCISA-N 1 0 375.918 2.575 20 0 GFADRO C[C@H](CCCO)C[NH2+][C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000453272150 564451684 /nfs/dbraw/zinc/45/16/84/564451684.db2.gz HRTDAJDHRQTVBK-BXUZGUMPSA-N 1 0 376.316 2.666 20 0 GFADRO CC[C@@H](CNS(C)(=O)=O)[NH2+][C@@H](Cc1cccnc1)c1cccc(Cl)c1 ZINC000453279585 564451777 /nfs/dbraw/zinc/45/17/77/564451777.db2.gz IZVJIBLCLCLEJZ-ROUUACIJSA-N 1 0 381.929 2.936 20 0 GFADRO C[C@@H]([NH2+]C[C@H]1CCCCN1CCO)c1ccccc1I ZINC000453276345 564451865 /nfs/dbraw/zinc/45/18/65/564451865.db2.gz XQULYNZKVBWJPI-ZIAGYGMSSA-N 1 0 388.293 2.789 20 0 GFADRO Cc1c(Br)ccc(C(=O)N(C)CCC[N@@H+](C)CCN(C)C)c1F ZINC000569169386 564451895 /nfs/dbraw/zinc/45/18/95/564451895.db2.gz LRLAJCMERMDHNE-UHFFFAOYSA-N 1 0 388.325 2.852 20 0 GFADRO CC[C@H](CNS(C)(=O)=O)[NH2+][C@H]1CCCc2c(Br)cccc21 ZINC000453285022 564452125 /nfs/dbraw/zinc/45/21/25/564452125.db2.gz NXPDRAVBVXGTSK-ABAIWWIYSA-N 1 0 375.332 2.744 20 0 GFADRO C[C@@H]([NH2+]C[C@H](CO)Cc1ccc(F)c(Br)c1)c1ccc(=O)[nH]n1 ZINC000453341282 564453981 /nfs/dbraw/zinc/45/39/81/564453981.db2.gz CTTSNUQZAVJISA-ZYHUDNBSSA-N 1 0 384.249 2.586 20 0 GFADRO CO[C@@H]([C@@H](C)[NH2+][C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1)C1CC1 ZINC000453351462 564454121 /nfs/dbraw/zinc/45/41/21/564454121.db2.gz HEFZVONTSIIMRG-WMFXKJRFSA-N 1 0 391.331 2.561 20 0 GFADRO CC[C@H](Cn1cncn1)[NH2+]C[C@@H](CO)Cc1ccc(C)c(Br)c1 ZINC000453358889 564454663 /nfs/dbraw/zinc/45/46/63/564454663.db2.gz JALRPHMCNULZMY-JKSUJKDBSA-N 1 0 381.318 2.568 20 0 GFADRO Cc1c(Br)cccc1C[C@H](CO)C[NH2+][C@@H](C)C(C)(C)n1cncn1 ZINC000453378870 564455791 /nfs/dbraw/zinc/45/57/91/564455791.db2.gz QFPMELOTGVUMEG-GJZGRUSLSA-N 1 0 395.345 2.913 20 0 GFADRO CC[NH+]1CCC(CNC(=O)NCc2nc(C)c(Br)s2)CC1 ZINC000569310926 564458284 /nfs/dbraw/zinc/45/82/84/564458284.db2.gz OOCHFKRQBQZBFB-UHFFFAOYSA-N 1 0 375.336 2.745 20 0 GFADRO CC[NH+]1CCC(NC(=O)C(=O)Nc2cc(Cl)cc(Br)c2)CC1 ZINC000453579271 564458244 /nfs/dbraw/zinc/45/82/44/564458244.db2.gz JEGDRQIPGZAUPU-UHFFFAOYSA-N 1 0 388.693 2.642 20 0 GFADRO Cc1cc(Br)c(C[NH2+][C@H]2CCC[C@@H]2CNS(C)(=O)=O)s1 ZINC000453571646 564458636 /nfs/dbraw/zinc/45/86/36/564458636.db2.gz DUWPVMTZEJEHQW-PWSUYJOCSA-N 1 0 381.361 2.627 20 0 GFADRO Cn1cc([C@@H]2CN(C(=O)Nc3ccc(Cl)cc3Br)C[C@H]2[NH3+])cn1 ZINC000514825266 564459305 /nfs/dbraw/zinc/45/93/05/564459305.db2.gz PGFABGHWQJBOLR-WCQYABFASA-N 1 0 398.692 2.795 20 0 GFADRO CC[NH+](CC)[C@@H](C)CNC(=O)C(=O)Nc1c(C)ccc(F)c1Br ZINC000453587842 564459575 /nfs/dbraw/zinc/45/95/75/564459575.db2.gz CFFDUCQGLGKYBG-NSHDSACASA-N 1 0 388.281 2.682 20 0 GFADRO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1cc(Cl)cc(Br)c1 ZINC000453641532 564461081 /nfs/dbraw/zinc/46/10/81/564461081.db2.gz IULOWGVDKKBPJB-SNVBAGLBSA-N 1 0 390.709 2.888 20 0 GFADRO O[C@H](C[NH2+]Cc1ccsc1Br)COc1ccc2c(c1)OCO2 ZINC000514932532 564462641 /nfs/dbraw/zinc/46/26/41/564462641.db2.gz KUMTWMNCISWMJG-LLVKDONJSA-N 1 0 386.267 2.769 20 0 GFADRO CC[N@@H+]1CC[C@H](CN[C@@H]2CCS(=O)(=O)c3ccc(Br)cc32)C1 ZINC000480227106 564465222 /nfs/dbraw/zinc/46/52/22/564465222.db2.gz MWYPGZSMNZAVFY-IUODEOHRSA-N 1 0 387.343 2.599 20 0 GFADRO CC(C)[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000569517122 564466529 /nfs/dbraw/zinc/46/65/29/564466529.db2.gz PIWANLHHXWEOOT-UONOGXRCSA-N 1 0 396.329 2.647 20 0 GFADRO COc1ccc(Br)cc1CC(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000480279025 564466926 /nfs/dbraw/zinc/46/69/26/564466926.db2.gz AZZUGCJHYHLNSF-INIZCTEOSA-N 1 0 387.343 2.554 20 0 GFADRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)[C@H]1CCc2cc(Br)ccc21 ZINC000515062037 564467499 /nfs/dbraw/zinc/46/74/99/564467499.db2.gz NNDZHJIZVPALID-DYVFJYSZSA-N 1 0 395.341 2.783 20 0 GFADRO CC(=O)Nc1ccc(S[C@H](C)C(=O)NC[C@@]2([NH+](C)C)CCSC2)cc1 ZINC000480280351 564467688 /nfs/dbraw/zinc/46/76/88/564467688.db2.gz UDJRVEWATOGJTH-ACJLOTCBSA-N 1 0 381.567 2.679 20 0 GFADRO O=S(=O)(c1ccc(Br)o1)N1CCC(C[NH+]2CCCCC2)CC1 ZINC000546799071 564468973 /nfs/dbraw/zinc/46/89/73/564468973.db2.gz KAAIDHINQKFLNC-UHFFFAOYSA-N 1 0 391.331 2.929 20 0 GFADRO Cc1cc(Cl)cc(NC(=O)C(=O)NC[C@@H](C)C[NH+](C)C)c1Br ZINC000453750238 564469731 /nfs/dbraw/zinc/46/97/31/564469731.db2.gz ATZBEKGCZZIZOQ-SECBINFHSA-N 1 0 390.709 2.663 20 0 GFADRO CCOC(=O)c1sc2nc(CSCC3CC[NH2+]CC3)nc(N)c2c1C ZINC000569719591 564475918 /nfs/dbraw/zinc/47/59/18/564475918.db2.gz FLBWNTKLVOKYDE-UHFFFAOYSA-N 1 0 380.539 2.991 20 0 GFADRO COc1ccc(Br)c(CC(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000569808070 564479376 /nfs/dbraw/zinc/47/93/76/564479376.db2.gz GZKVGWXBPOYOLU-UONOGXRCSA-N 1 0 381.314 2.848 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]1C1CCN(S(=O)(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000569844535 564481170 /nfs/dbraw/zinc/48/11/70/564481170.db2.gz FJMXCJNRCQYSEY-CABCVRRESA-N 1 0 379.309 2.510 20 0 GFADRO C[C@@H]([NH2+]C[C@H](O)CN1C[C@@H](C)O[C@@H](C)C1)c1ccc(Br)s1 ZINC000569894054 564483050 /nfs/dbraw/zinc/48/30/50/564483050.db2.gz NTWWTBXGKLOYFY-XQHKEYJVSA-N 1 0 377.348 2.631 20 0 GFADRO C[NH+](C)[C@]1(CNc2ncnc3cc(F)c(Br)cc32)CCSC1 ZINC000547290507 564483185 /nfs/dbraw/zinc/48/31/85/564483185.db2.gz SRSMBFDHHHACEI-HNNXBMFYSA-N 1 0 385.306 3.381 20 0 GFADRO CCc1ncc(S(=O)(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC000547304484 564483588 /nfs/dbraw/zinc/48/35/88/564483588.db2.gz COHFBNHWTUXUDY-INIZCTEOSA-N 1 0 379.551 2.848 20 0 GFADRO Ic1cccc2ncnc(N3CC[C@@H]([NH+]4CC=CC4)C3)c12 ZINC000547290302 564483731 /nfs/dbraw/zinc/48/37/31/564483731.db2.gz MFNZADLAEJPLGV-GFCCVEGCSA-N 1 0 392.244 2.685 20 0 GFADRO CC[NH+](CC)C[C@H](C)NS(=O)(=O)c1cc(Cl)ccc1O[C@H](C)COC ZINC000480716036 564484316 /nfs/dbraw/zinc/48/43/16/564484316.db2.gz WARAUJZWPNHUEF-UONOGXRCSA-N 1 0 392.949 2.762 20 0 GFADRO [NH3+]C[C@H]1CC[C@@H](NC(=O)Nc2ccc(I)cc2F)C1 ZINC000515673464 564484827 /nfs/dbraw/zinc/48/48/27/564484827.db2.gz ZPMABWDOYBHUPS-WCBMZHEXSA-N 1 0 377.201 2.679 20 0 GFADRO O=S(=O)(NCC[NH2+][C@@H]1CCC[C@@H]([C@H]2CCOC2)C1)c1cccc(Cl)c1 ZINC000547333671 564485308 /nfs/dbraw/zinc/48/53/08/564485308.db2.gz CLMMNALITPVVAI-HLLBOEOZSA-N 1 0 386.945 2.803 20 0 GFADRO CC(C)(CNS(=O)(=O)c1cccc(Br)c1)C[NH+]1CCCC1 ZINC000480755838 564486689 /nfs/dbraw/zinc/48/66/89/564486689.db2.gz NSHXPTXSVQEDPJ-UHFFFAOYSA-N 1 0 375.332 2.849 20 0 GFADRO [NH3+]CC[C@@H](NC(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl)C(F)F ZINC000570043525 564489211 /nfs/dbraw/zinc/48/92/11/564489211.db2.gz OYGMERBBNKKXRY-OLZOCXBDSA-N 1 0 394.249 2.697 20 0 GFADRO Cc1cc(Br)cc(C)c1S(=O)(=O)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000480836101 564489832 /nfs/dbraw/zinc/48/98/32/564489832.db2.gz GMIDUOBGBUNIHU-SWLSCSKDSA-N 1 0 387.343 2.827 20 0 GFADRO C[N@@H+]1CCC[C@@H]2CN(S(=O)(=O)c3ccc(F)c(Br)c3)CC[C@H]21 ZINC000480844465 564490807 /nfs/dbraw/zinc/49/08/07/564490807.db2.gz OKDAFOYUNHDLNW-IAQYHMDHSA-N 1 0 391.306 2.693 20 0 GFADRO [NH3+][C@@H](CC(F)F)C(=O)NC1(c2cccc(Br)c2)CCOCC1 ZINC000570093608 564491700 /nfs/dbraw/zinc/49/17/00/564491700.db2.gz WXMOBOYOTDBNFL-LBPRGKRZSA-N 1 0 377.229 2.554 20 0 GFADRO CN1CCN(c2cc[nH+]cc2NC(=O)c2cc(F)cc(Br)c2)CC1 ZINC000516207950 564497094 /nfs/dbraw/zinc/49/70/94/564497094.db2.gz LPWLRBIMNJJQCM-UHFFFAOYSA-N 1 0 393.260 2.987 20 0 GFADRO Cc1c(Br)cccc1NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C(C)C)C1 ZINC000454105544 564497965 /nfs/dbraw/zinc/49/79/65/564497965.db2.gz QGCMEWBWGASIAG-ZDUSSCGKSA-N 1 0 382.302 2.637 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)NCCCC[N@@H+](C)C1CC1 ZINC000454101258 564498131 /nfs/dbraw/zinc/49/81/31/564498131.db2.gz TYTSVNOBNHMVGF-UHFFFAOYSA-N 1 0 396.329 2.995 20 0 GFADRO O=C(NC[C@H]1C[NH2+]CCO1)c1ccccc1Oc1cccc(Br)c1 ZINC000516273973 564498556 /nfs/dbraw/zinc/49/85/56/564498556.db2.gz JFSCPMBOYQSIFC-OAHLLOKOSA-N 1 0 391.265 2.960 20 0 GFADRO Cn1cc2c(n1)CCC[C@@H]2[NH2+]C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000516277419 564498864 /nfs/dbraw/zinc/49/88/64/564498864.db2.gz FCFAJIUVSFAWFC-BBRMVZONSA-N 1 0 398.276 2.729 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C(C)C)C2)cc1Br ZINC000454112550 564498914 /nfs/dbraw/zinc/49/89/14/564498914.db2.gz VOLLWJAQYSHWMO-CQSZACIVSA-N 1 0 396.329 2.946 20 0 GFADRO Cc1cc(Br)ccc1S(=O)(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000570279079 564499116 /nfs/dbraw/zinc/49/91/16/564499116.db2.gz DSOUXDYUPROBPS-ZIAGYGMSSA-N 1 0 387.343 2.768 20 0 GFADRO Cc1ccc(Br)c(S(=O)(=O)NCC[NH2+][C@H](C)C2CCC2)c1 ZINC000516481624 564502630 /nfs/dbraw/zinc/50/26/30/564502630.db2.gz HTTKQIRKAZBVDI-GFCCVEGCSA-N 1 0 375.332 2.814 20 0 GFADRO C[C@@H](NC(=O)NCCCN1CCOCC1)c1ccc(Br)cc1F ZINC000516521020 564504074 /nfs/dbraw/zinc/50/40/74/564504074.db2.gz WOZREKLFWQDHIQ-GFCCVEGCSA-N 1 0 388.281 2.671 20 0 GFADRO C[NH+](C)[C@@]1(CNC(=O)CCOc2cccc(Br)c2)CCSC1 ZINC000481205115 564505288 /nfs/dbraw/zinc/50/52/88/564505288.db2.gz QMVGQJBHPVBJCM-MRXNPFEDSA-N 1 0 387.343 2.772 20 0 GFADRO C[NH+](C)Cc1ccc(CNC(=O)c2ccc(I)cn2)cc1 ZINC000454339558 564506467 /nfs/dbraw/zinc/50/64/67/564506467.db2.gz IXWLDDAHHDSGKU-UHFFFAOYSA-N 1 0 395.244 2.678 20 0 GFADRO C[C@@H]1CN(c2ncnc3cc(F)c(Br)cc32)CC[N@@H+]1CC(C)(C)O ZINC000547709050 564507628 /nfs/dbraw/zinc/50/76/28/564507628.db2.gz LICCUBBPTYGHIH-LLVKDONJSA-N 1 0 397.292 2.813 20 0 GFADRO COCC[N@H+](C)CCNC(=O)N1CC[C@H](c2cccc(Br)c2)C1 ZINC000454449622 564510884 /nfs/dbraw/zinc/51/08/84/564510884.db2.gz XZPLYINRIKBHOI-HNNXBMFYSA-N 1 0 384.318 2.526 20 0 GFADRO CC(C)c1n[nH]c(C(=O)N2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)c1Br ZINC000516760068 564510954 /nfs/dbraw/zinc/51/09/54/564510954.db2.gz QDRSFXNSGUOSQB-MLGOLLRUSA-N 1 0 399.333 2.654 20 0 GFADRO CN(C1C[C@H]2CC[C@@H](C1)[NH2+]2)S(=O)(=O)c1cc(Cl)ccc1OC(F)F ZINC000516866515 564514057 /nfs/dbraw/zinc/51/40/57/564514057.db2.gz BYMROAWSCZCPAC-FOSCPWQOSA-N 1 0 380.844 2.845 20 0 GFADRO C[C@H](C(=O)N(C)CCn1cc(Br)cn1)[N@@H+]1CCc2ccccc2C1 ZINC000516899802 564514923 /nfs/dbraw/zinc/51/49/23/564514923.db2.gz WPYCLZLTSKREKL-CQSZACIVSA-N 1 0 391.313 2.551 20 0 GFADRO CN(C(=O)c1ccc(Cl)c(NS(C)(=O)=O)c1)C(C)(C)C[NH+]1CCCC1 ZINC000570665280 564516329 /nfs/dbraw/zinc/51/63/29/564516329.db2.gz HLAZKSLMBQCFSB-UHFFFAOYSA-N 1 0 387.933 2.658 20 0 GFADRO O=C(Nc1cc(Cl)cc(Cl)c1)[C@@H]1CCCN1C(=O)NC[C@H]1CCC[NH2+]1 ZINC000516916671 564516350 /nfs/dbraw/zinc/51/63/50/564516350.db2.gz HYOZVNGHZVEOQD-HIFRSBDPSA-N 1 0 385.295 2.858 20 0 GFADRO O[C@@H](C[NH2+]CC1CCN(CC(F)(F)F)CC1)COc1ccc(Cl)cc1 ZINC000570711629 564517928 /nfs/dbraw/zinc/51/79/28/564517928.db2.gz YVGHBNVJBBQVBM-HNNXBMFYSA-N 1 0 380.838 2.944 20 0 GFADRO C[C@H](Cc1ccccc1C(F)(F)F)[NH2+]C[C@H]1CCC[C@H]1NS(C)(=O)=O ZINC000481674523 564518525 /nfs/dbraw/zinc/51/85/25/564518525.db2.gz UXJVAUGHVCHHQZ-XNRPHZJLSA-N 1 0 378.460 2.944 20 0 GFADRO C[C@H](Cc1ccccc1C(F)(F)F)[NH2+]C[C@@H]1CCC[C@@H]1NS(C)(=O)=O ZINC000481674518 564519225 /nfs/dbraw/zinc/51/92/25/564519225.db2.gz UXJVAUGHVCHHQZ-INWMFGNUSA-N 1 0 378.460 2.944 20 0 GFADRO Cc1nc(CNC(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)sc1Br ZINC000454709074 564520199 /nfs/dbraw/zinc/52/01/99/564520199.db2.gz GTGQQQUQSLLDJS-QWRGUYRKSA-N 1 0 375.336 2.886 20 0 GFADRO CCOCC(C)(C)C[NH2+]C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000570795272 564521670 /nfs/dbraw/zinc/52/16/70/564521670.db2.gz VADMXYNOCKQVET-AWEZNQCLSA-N 1 0 378.282 2.980 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000517139238 564524908 /nfs/dbraw/zinc/52/49/08/564524908.db2.gz CWBKTCSPYRNHAK-NWDGAFQWSA-N 1 0 385.306 2.511 20 0 GFADRO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)Nc1cc(Br)cn(C)c1=O ZINC000454913761 564527749 /nfs/dbraw/zinc/52/77/49/564527749.db2.gz MFULLSSHBIGTBX-AWEZNQCLSA-N 1 0 399.333 2.780 20 0 GFADRO CN(C)CC[N@H+](C)CCCNC(=O)Nc1cc(F)ccc1Br ZINC000454935893 564528515 /nfs/dbraw/zinc/52/85/15/564528515.db2.gz AXLVDDLOIXVNFO-UHFFFAOYSA-N 1 0 375.286 2.593 20 0 GFADRO [NH3+][C@@H]1CCC[C@H](CNS(=O)(=O)c2cc(Br)ccc2Cl)C1 ZINC000570964233 564529509 /nfs/dbraw/zinc/52/95/09/564529509.db2.gz IPRHCSJTPZDVQS-GXSJLCMTSA-N 1 0 381.723 2.898 20 0 GFADRO COc1ccc(C[NH2+]CCC(=O)Nc2ccc(Br)cc2)c(OC)n1 ZINC000570956564 564529783 /nfs/dbraw/zinc/52/97/83/564529783.db2.gz XCGUXKUSKZNSPS-UHFFFAOYSA-N 1 0 394.269 2.980 20 0 GFADRO CCc1nnc(CNC(=O)NCC2([NH+]3CCSCC3)CCCCC2)s1 ZINC000517269203 564530075 /nfs/dbraw/zinc/53/00/75/564530075.db2.gz FEKUBZZXVBDHNM-UHFFFAOYSA-N 1 0 383.587 2.651 20 0 GFADRO CSC1(CNC(=O)NCc2ccnc(C(F)(F)F)c2)CC[NH+](C)CC1 ZINC000454965383 564530195 /nfs/dbraw/zinc/53/01/95/564530195.db2.gz DIPXWPRODRRVKY-UHFFFAOYSA-N 1 0 376.448 2.727 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)NC[C@H]1CCC[N@@H+]1CCCO ZINC000454999621 564531579 /nfs/dbraw/zinc/53/15/79/564531579.db2.gz QQGXUJKKRNXOFX-OAHLLOKOSA-N 1 0 384.318 2.980 20 0 GFADRO O=C(c1ccc(I)cn1)N1CCC([NH+]2CCCCC2)CC1 ZINC000455000312 564532106 /nfs/dbraw/zinc/53/21/06/564532106.db2.gz KGEJTVGQIMJYNK-UHFFFAOYSA-N 1 0 399.276 2.777 20 0 GFADRO CN(C(=O)c1cnc(Sc2nccn2C)c(Cl)c1)[C@@H]1CCC[NH2+]CC1 ZINC000517378075 564533134 /nfs/dbraw/zinc/53/31/34/564533134.db2.gz ODIDNLAUQMETNP-CYBMUJFWSA-N 1 0 379.917 2.834 20 0 GFADRO C[N@@H+]1CCC[C@@H](CNC(=O)NCCC(=O)Nc2cc(Cl)cc(Cl)c2)C1 ZINC000571043220 564533580 /nfs/dbraw/zinc/53/35/80/564533580.db2.gz SYCXPFDSSXIXRG-LBPRGKRZSA-N 1 0 387.311 2.963 20 0 GFADRO O=C(Nc1ccn(-c2ccc(Cl)cc2Cl)n1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000571146304 564537902 /nfs/dbraw/zinc/53/79/02/564537902.db2.gz IDQSEZJAGBQTJL-FZMZJTMJSA-N 1 0 380.279 3.395 20 0 GFADRO C[C@@H](c1ccc(Br)cc1)N1CC[NH+](CC[C@@H]2CCNC2=O)CC1 ZINC000571222609 564541575 /nfs/dbraw/zinc/54/15/75/564541575.db2.gz UDYZQZIXLWFNJY-HOCLYGCPSA-N 1 0 380.330 2.654 20 0 GFADRO CN1CCC[C@H](C[NH2+][C@@H]2CCS(=O)(=O)c3ccc(Br)cc32)C1 ZINC000571227485 564541800 /nfs/dbraw/zinc/54/18/00/564541800.db2.gz ZMJZVQDXRHUYDF-IUODEOHRSA-N 1 0 387.343 2.599 20 0 GFADRO C[C@H]1CN(CCO)CCN1C(=O)Nc1cccc(Cl)c1Br ZINC000455252030 564544582 /nfs/dbraw/zinc/54/45/82/564544582.db2.gz KIUYJFGPNWYIOF-JTQLQIEISA-N 1 0 376.682 2.633 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+][C@H]1CCCS(=O)(=O)C1 ZINC000482727365 564549120 /nfs/dbraw/zinc/54/91/20/564549120.db2.gz WRKNLKJRMXTTMP-HNNXBMFYSA-N 1 0 398.326 2.610 20 0 GFADRO COc1ccc(C[NH2+]C[C@@H](O)COc2ccc(Br)cc2)cc1O ZINC000571433053 564551194 /nfs/dbraw/zinc/55/11/94/564551194.db2.gz PAKPTOKKRFBIMO-CQSZACIVSA-N 1 0 382.254 2.693 20 0 GFADRO CN(CCCN1CC[NH+](C)CC1)C(=O)[C@H]1C[C@H]1c1ccc(Br)cc1 ZINC000518355692 564551458 /nfs/dbraw/zinc/55/14/58/564551458.db2.gz UNRXCADTUJBQAK-ROUUACIJSA-N 1 0 394.357 2.649 20 0 GFADRO COCC[NH2+]C1CCN(Cc2ccc(OC)c(OC)c2Br)CC1 ZINC000571451892 564551849 /nfs/dbraw/zinc/55/18/49/564551849.db2.gz CFFPXJFRXGNCQP-UHFFFAOYSA-N 1 0 387.318 2.667 20 0 GFADRO COCCN(Cc1ccc(Br)s1)C(=O)NC[C@H](C)[NH+](C)C ZINC000455428832 564553544 /nfs/dbraw/zinc/55/35/44/564553544.db2.gz IIGGBOXGOLRWKW-NSHDSACASA-N 1 0 378.336 2.619 20 0 GFADRO O=C(Nc1ccc(I)cc1F)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000571539620 564556025 /nfs/dbraw/zinc/55/60/25/564556025.db2.gz ZZDGXODTTCFNBT-CABZTGNLSA-N 1 0 389.212 2.646 20 0 GFADRO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N(CCO)Cc1ccc(Br)s1 ZINC000483003509 564556304 /nfs/dbraw/zinc/55/63/04/564556304.db2.gz HAZCMMDGJIZEHG-TXEJJXNPSA-N 1 0 375.332 2.704 20 0 GFADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000455549728 564557768 /nfs/dbraw/zinc/55/77/68/564557768.db2.gz GLFAJIRMNUMDOS-ZENOOKHLSA-N 1 0 384.307 2.553 20 0 GFADRO O=C(c1ccc(I)cn1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000455557285 564557923 /nfs/dbraw/zinc/55/79/23/564557923.db2.gz RQHYWPBDNFLZDG-CQSZACIVSA-N 1 0 399.276 2.777 20 0 GFADRO Cn1cc(C(C)(C)[NH2+][C@@H]2CCN(c3cccc(Br)c3)C2=O)cn1 ZINC000571600563 564558046 /nfs/dbraw/zinc/55/80/46/564558046.db2.gz LWTQNUVXCKZMNC-OAHLLOKOSA-N 1 0 377.286 2.813 20 0 GFADRO COCC[N@@H+]1CC[C@@H](NC(=O)c2cnn(-c3ccc(Cl)cc3Cl)c2)C1 ZINC000518605503 564558307 /nfs/dbraw/zinc/55/83/07/564558307.db2.gz IZFYIJNTGQWXII-CQSZACIVSA-N 1 0 383.279 2.630 20 0 GFADRO C[NH+](C)CC1CCN(Cc2cn(-c3ccccc3Br)nn2)CC1 ZINC000518629411 564558697 /nfs/dbraw/zinc/55/86/97/564558697.db2.gz DJCXSJNZXIFLPB-UHFFFAOYSA-N 1 0 378.318 2.803 20 0 GFADRO C[NH+](C)C[C@@H]1CCCCN1C(=O)c1ccc(I)cc1F ZINC000518686564 564559705 /nfs/dbraw/zinc/55/97/05/564559705.db2.gz BADLMWACWVCPNT-LBPRGKRZSA-N 1 0 390.240 2.987 20 0 GFADRO C[C@H]1C[C@H](NC(=O)Nc2ccn(-c3ccc(Br)cc3)n2)CC[N@@H+]1C ZINC000455635949 564561354 /nfs/dbraw/zinc/56/13/54/564561354.db2.gz XLODEQCZRGLMNK-GXTWGEPZSA-N 1 0 392.301 3.239 20 0 GFADRO CN(CC(C)(C)C[NH3+])S(=O)(=O)Cc1cc(Cl)ccc1Br ZINC000571799556 564567178 /nfs/dbraw/zinc/56/71/78/564567178.db2.gz IPSGBBDLTMBEAQ-UHFFFAOYSA-N 1 0 383.739 2.849 20 0 GFADRO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)Nc1cccc(Br)c1 ZINC000519001041 564567264 /nfs/dbraw/zinc/56/72/64/564567264.db2.gz NSTTZGRTJIREEY-CYBMUJFWSA-N 1 0 382.302 2.624 20 0 GFADRO Oc1ccc(CC[NH2+]C[C@@H](O)COc2cc(F)cc(Br)c2)cc1 ZINC000519141620 564570667 /nfs/dbraw/zinc/57/06/67/564570667.db2.gz OHJPPHLSKSSIKR-MRXNPFEDSA-N 1 0 384.245 2.866 20 0 GFADRO COc1ccc(NC(=O)NCCN2CCC([NH+](C)C)CC2)c(Br)c1 ZINC000483614254 564570901 /nfs/dbraw/zinc/57/09/01/564570901.db2.gz IPLMWWRMIHPLCV-UHFFFAOYSA-N 1 0 399.333 2.605 20 0 GFADRO CC[N@@H+]1CC[C@H](CNC(=O)Nc2ccc(Br)c(C(=O)OC)c2)C1 ZINC000548737297 564571800 /nfs/dbraw/zinc/57/18/00/564571800.db2.gz DIQFDCZGVOALBP-LLVKDONJSA-N 1 0 384.274 2.699 20 0 GFADRO Cc1ncc(Br)cc1NC(=O)NCCCC[N@@H+]1CCC[C@H]1CO ZINC000455806543 564572424 /nfs/dbraw/zinc/57/24/24/564572424.db2.gz RQJUHNXTSFSRSQ-AWEZNQCLSA-N 1 0 385.306 2.511 20 0 GFADRO C[N@@H+]1CCC[C@H](CNC(=O)N[C@@H]2CCOc3c(Br)cccc32)C1 ZINC000548761101 564572738 /nfs/dbraw/zinc/57/27/38/564572738.db2.gz RNKXDHRQPQUBQI-IUODEOHRSA-N 1 0 382.302 2.914 20 0 GFADRO O[C@@H](COC[C@@H]1CCCO1)C[N@H+](Cc1cccc(Br)c1)C1CC1 ZINC000519276066 564573503 /nfs/dbraw/zinc/57/35/03/564573503.db2.gz MZQXCRQPFXZKCP-MSOLQXFVSA-N 1 0 384.314 2.970 20 0 GFADRO COc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)c(Cl)c1 ZINC000571954454 564573607 /nfs/dbraw/zinc/57/36/07/564573607.db2.gz ROPPDWWTGOLTDJ-OAHLLOKOSA-N 1 0 382.913 2.800 20 0 GFADRO O=S1(=O)CC[C@@H]([NH2+][C@@H](CO)C2CCCC2)c2cc(Br)ccc21 ZINC000571963741 564574332 /nfs/dbraw/zinc/57/43/32/564574332.db2.gz SJTLLQQCVBDTSS-CABCVRRESA-N 1 0 388.327 2.808 20 0 GFADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)NCCC(C)(C)O ZINC000483790660 564574789 /nfs/dbraw/zinc/57/47/89/564574789.db2.gz JXHNBFYWVMZFBB-UHFFFAOYSA-N 1 0 386.334 2.683 20 0 GFADRO C[NH+](C)[C@]1(CNC(=O)[C@]2(Cc3cccc(Cl)c3)CCOC2)CCSC1 ZINC000455862173 564576100 /nfs/dbraw/zinc/57/61/00/564576100.db2.gz KXNBEEMQZRXTRL-OALUTQOASA-N 1 0 382.957 2.843 20 0 GFADRO Cc1csc(C(=O)N2CCC[C@]3(CC[NH2+]C3)C2)c1I ZINC000571998476 564577231 /nfs/dbraw/zinc/57/72/31/564577231.db2.gz KUVWTCILPVWZOT-CQSZACIVSA-N 1 0 390.290 2.877 20 0 GFADRO OCC1(C[NH2+]C[C@@H](O)COc2cccc(Br)c2)CC2(CCC2)C1 ZINC000572038766 564578900 /nfs/dbraw/zinc/57/89/00/564578900.db2.gz IXBBPOGCRSWYBG-OAHLLOKOSA-N 1 0 384.314 2.721 20 0 GFADRO COc1ccc(NC(=O)N[C@H](C)C[C@@H](C)[NH3+])c(I)c1 ZINC000572038695 564578966 /nfs/dbraw/zinc/57/89/66/564578966.db2.gz NDVVZVWPFHSIBO-RKDXNWHRSA-N 1 0 377.226 2.547 20 0 GFADRO OCC1(C[NH2+]C[C@H](O)COc2cccc(Br)c2)CC2(CCC2)C1 ZINC000572038765 564579281 /nfs/dbraw/zinc/57/92/81/564579281.db2.gz IXBBPOGCRSWYBG-HNNXBMFYSA-N 1 0 384.314 2.721 20 0 GFADRO COc1cc(I)ccc1NC(=O)N1CCC[C@H](C[NH3+])C1 ZINC000519528285 564579685 /nfs/dbraw/zinc/57/96/85/564579685.db2.gz GCBWSFWSIBWKCX-SNVBAGLBSA-N 1 0 389.237 2.502 20 0 GFADRO CS(=O)(=O)c1ccc(C[NH2+]C[C@H](O)Cc2ccc(C(F)(F)F)cc2)s1 ZINC000519536274 564579834 /nfs/dbraw/zinc/57/98/34/564579834.db2.gz JLWXXXCECQKFLL-CYBMUJFWSA-N 1 0 393.452 2.864 20 0 GFADRO CN(Cc1ccc(F)cc1Br)C(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000519548180 564580782 /nfs/dbraw/zinc/58/07/82/564580782.db2.gz XMTQLWDHEVJERC-JTQLQIEISA-N 1 0 381.249 2.660 20 0 GFADRO COC(=O)[C@H](c1ccc(Cl)c(Cl)c1)N1CCC[N@@H+]([C@@H](C)CO)CC1 ZINC000484024521 564581048 /nfs/dbraw/zinc/58/10/48/564581048.db2.gz JDAGZFUWSLIPEG-LRDDRELGSA-N 1 0 375.296 2.596 20 0 GFADRO Cc1ncc2c(n1)CC[C@H]([NH2+]C[C@@H](O)COc1c(Cl)cccc1Cl)C2 ZINC000519540853 564581003 /nfs/dbraw/zinc/58/10/03/564581003.db2.gz NJYARYOGHFGHAO-UONOGXRCSA-N 1 0 382.291 2.979 20 0 GFADRO O[C@H](C[NH2+]CC1=CCOCC1)COc1ccc(Cl)cc1Br ZINC000572114243 564581652 /nfs/dbraw/zinc/58/16/52/564581652.db2.gz KAQHJMCNORBUGY-CYBMUJFWSA-N 1 0 376.678 2.779 20 0 GFADRO O=C(N[C@@H](c1ccsc1)c1ccc(Cl)cc1)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000484106999 564582452 /nfs/dbraw/zinc/58/24/52/564582452.db2.gz YMCOCWWSEVDBED-ZWKOTPCHSA-N 1 0 375.925 2.997 20 0 GFADRO [NH3+]CCC1CCN(C(=O)CCNC(=O)Nc2ccc(Br)cc2)CC1 ZINC000572173257 564583621 /nfs/dbraw/zinc/58/36/21/564583621.db2.gz RNRQZUFRYFUOQA-UHFFFAOYSA-N 1 0 397.317 2.548 20 0 GFADRO COCC[NH2+]C1CCN(C(=O)NCC(F)(F)c2ccc(Cl)cc2)CC1 ZINC000519600638 564583616 /nfs/dbraw/zinc/58/36/16/564583616.db2.gz HIPNQDCKKMTUKH-UHFFFAOYSA-N 1 0 375.847 2.842 20 0 GFADRO CN(C(=O)NCc1nc2c(cccc2Br)[nH]1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000572263894 564587248 /nfs/dbraw/zinc/58/72/48/564587248.db2.gz AGPWRZBJBYIMPG-FOSCPWQOSA-N 1 0 392.301 2.750 20 0 GFADRO C[C@@H](C[NH+](C)C)NC(=O)NC[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000484364557 564587427 /nfs/dbraw/zinc/58/74/27/564587427.db2.gz FFPIMDUZIGHKKS-KBPBESRZSA-N 1 0 383.334 2.525 20 0 GFADRO C[C@H]1CN(S(=O)(=O)c2ccc3ccccc3c2Br)[C@@H](C)C[NH2+]1 ZINC000572284852 564587820 /nfs/dbraw/zinc/58/78/20/564587820.db2.gz HPFPUFNUMRENES-RYUDHWBXSA-N 1 0 383.311 2.973 20 0 GFADRO C[C@H]1C[C@@H](NC(=O)N2CCOc3ccc(Br)cc3C2)C[N@@H+]1C1CC1 ZINC000549225540 564589089 /nfs/dbraw/zinc/58/90/89/564589089.db2.gz AUESTEAADHRLDD-SWLSCSKDSA-N 1 0 394.313 2.978 20 0 GFADRO C[NH+](C)C[C@H](NC(=O)CCNC(=O)c1cccs1)c1ccc(Cl)cc1 ZINC000549239487 564589857 /nfs/dbraw/zinc/58/98/57/564589857.db2.gz DJRFZZHIESROBD-HNNXBMFYSA-N 1 0 379.913 2.941 20 0 GFADRO CC[C@@H]1C[N@H+](C)CCN1c1ncnc2ccc(I)cc21 ZINC000549264678 564590621 /nfs/dbraw/zinc/59/06/21/564590621.db2.gz LUMPWYJAPFRCPZ-GFCCVEGCSA-N 1 0 382.249 2.765 20 0 GFADRO C[NH2+]Cc1ccc(NC(=O)N[C@H]2C[C@H](C)S(=O)(=O)c3sccc32)cc1 ZINC000572377254 564592209 /nfs/dbraw/zinc/59/22/09/564592209.db2.gz VPDXUUWZXPYHOA-NHYWBVRUSA-N 1 0 379.507 2.896 20 0 GFADRO CS[C@@H]1CN(CC(=O)N(CC(C)C)CC(F)(F)F)C[C@H]1[NH+]1CCCC1 ZINC000484621537 564593002 /nfs/dbraw/zinc/59/30/02/564593002.db2.gz OXJYNXZUEAUVGI-HUUCEWRRSA-N 1 0 381.508 2.545 20 0 GFADRO O=C(Nc1ccc(Br)cc1)C(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000484677394 564594628 /nfs/dbraw/zinc/59/46/28/564594628.db2.gz ZIXBZGHOIXMCHQ-UHFFFAOYSA-N 1 0 394.313 2.865 20 0 GFADRO CN1CCO[C@H]([C@H](NC(=O)N[C@@H]2CSC2(C)C)c2ccc(Cl)cc2)C1 ZINC000549545438 564597970 /nfs/dbraw/zinc/59/79/70/564597970.db2.gz TZJDBKLMVKARGH-ARFHVFGLSA-N 1 0 383.945 2.905 20 0 GFADRO O=C(CCNC(=O)[C@H]1CCC[NH2+]1)Nc1cccc(Cl)c1SCC(F)F ZINC000572524520 564598818 /nfs/dbraw/zinc/59/88/18/564598818.db2.gz VXIJMZNAXIJFJZ-GFCCVEGCSA-N 1 0 391.871 2.894 20 0 GFADRO Cc1ccc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1I ZINC000456319490 564600819 /nfs/dbraw/zinc/60/08/19/564600819.db2.gz LBDZGJGJZXZWRO-AGUYFDCRSA-N 1 0 384.261 2.955 20 0 GFADRO C[C@@H]1C[C@H](C(=O)Nc2cc(Br)ccc2N2CC[N@H+](C)C[C@@H]2C)CO1 ZINC000456354936 564601529 /nfs/dbraw/zinc/60/15/29/564601529.db2.gz BPXRJCOZKZVPFX-MJBXVCDLSA-N 1 0 396.329 2.953 20 0 GFADRO CC(C)[C@H](O)C(=O)Nc1cc(Br)ccc1N1CC[N@H+](C)C[C@H]1C ZINC000456375499 564603428 /nfs/dbraw/zinc/60/34/28/564603428.db2.gz QTMAMRCRSFFWLM-WBMJQRKESA-N 1 0 384.318 2.545 20 0 GFADRO CO[C@H]1CCN(Cc2ccnc(-c3ccc(Br)cc3)n2)[C@@H](C[NH3+])C1 ZINC000520407887 564603738 /nfs/dbraw/zinc/60/37/38/564603738.db2.gz WZIAKJCSMFYAPD-SJORKVTESA-N 1 0 391.313 2.844 20 0 GFADRO Cc1cc(F)c(Br)cc1S(=O)(=O)N[C@H](C)C[N@@H+](C)C(C)C ZINC000572651776 564604215 /nfs/dbraw/zinc/60/42/15/564604215.db2.gz SCDALDNUVWQCFD-LLVKDONJSA-N 1 0 381.311 2.904 20 0 GFADRO CC[C@@H](C)[N@H+](C)CCNS(=O)(=O)c1cc(Br)c(F)cc1OC ZINC000520429077 564604396 /nfs/dbraw/zinc/60/43/96/564604396.db2.gz IWPGIBYFKFIMEQ-SNVBAGLBSA-N 1 0 397.310 2.605 20 0 GFADRO C[C@@H]1C[N@H+](C)CCN1c1ccc(Br)cc1NC(=O)C1CCOCC1 ZINC000456378549 564604728 /nfs/dbraw/zinc/60/47/28/564604728.db2.gz VJRJAQGVXQIPEL-CYBMUJFWSA-N 1 0 396.329 2.955 20 0 GFADRO Cc1cccc(NC(=O)C(=O)NC2CC([NH+]3CCCCC3)C2)c1Br ZINC000485012794 564604914 /nfs/dbraw/zinc/60/49/14/564604914.db2.gz ASBWJYSMOGIGFC-UHFFFAOYSA-N 1 0 394.313 2.829 20 0 GFADRO Cc1cc(Br)ccc1CC(=O)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000485078751 564605703 /nfs/dbraw/zinc/60/57/03/564605703.db2.gz MZRWTDVLKFJZNH-UHFFFAOYSA-N 1 0 394.357 2.540 20 0 GFADRO [NH3+][C@H]1CCC[C@@H](CNC(=O)c2ccc(F)cc2I)C1 ZINC000520567496 564608628 /nfs/dbraw/zinc/60/86/28/564608628.db2.gz JPRZRDRCSUCFMC-KOLCDFICSA-N 1 0 376.213 2.678 20 0 GFADRO C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)N[C@H](C)c1ccc(Br)cc1 ZINC000520618904 564609187 /nfs/dbraw/zinc/60/91/87/564609187.db2.gz AHVDHUQXLFQEKY-ZIAGYGMSSA-N 1 0 396.329 2.617 20 0 GFADRO Cc1ccc(C[C@H](CO)CNC(=O)[C@@H](C(C)C)[NH+](C)C)cc1Br ZINC000456480965 564609829 /nfs/dbraw/zinc/60/98/29/564609829.db2.gz DSIMTBJBYVEFKL-DOTOQJQBSA-N 1 0 385.346 2.611 20 0 GFADRO CN(C[C@@H]1CCC[N@H+](C)C1)S(=O)(=O)c1c(F)cccc1OC(F)(F)F ZINC000572789943 564610320 /nfs/dbraw/zinc/61/03/20/564610320.db2.gz FFFPNEJZXAJRDH-LLVKDONJSA-N 1 0 384.395 2.687 20 0 GFADRO C[C@@H]1CN(C[C@@H](O)C[N@H+](Cc2cccc(Br)c2)C2CC2)C[C@@H](C)O1 ZINC000520694986 564610448 /nfs/dbraw/zinc/61/04/48/564610448.db2.gz JESVHOCDSIBIOG-SPYBWZPUSA-N 1 0 397.357 2.884 20 0 GFADRO CC[NH+]1CCC(CNS(=O)(=O)c2ccc(OCC(F)(F)F)cc2)CC1 ZINC000572815947 564611050 /nfs/dbraw/zinc/61/10/50/564611050.db2.gz JVUGGKKLQFDFKJ-UHFFFAOYSA-N 1 0 380.432 2.638 20 0 GFADRO O=C(CC[NH2+][C@H](CCO)C1CCOCC1)Nc1cccc(Br)c1 ZINC000520754584 564612194 /nfs/dbraw/zinc/61/21/94/564612194.db2.gz HIEISOILBFDMOF-MRXNPFEDSA-N 1 0 385.302 2.545 20 0 GFADRO Cc1ccc(C[C@H](CO)CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1Br ZINC000456492733 564612488 /nfs/dbraw/zinc/61/24/88/564612488.db2.gz MMECUWDSTPOFES-XIRDDKMYSA-N 1 0 397.357 2.755 20 0 GFADRO CC[NH+]1CCN(c2ccc(CNCc3ncc(CSC)s3)cn2)CC1 ZINC000550096594 564614761 /nfs/dbraw/zinc/61/47/61/564614761.db2.gz IMAJENDHLBRPHE-UHFFFAOYSA-N 1 0 377.583 2.833 20 0 GFADRO OC[C@]1([C@@H]([NH2+]C[C@@H](O)COc2cc(Cl)ccc2Cl)C2CC2)CCCO1 ZINC000550141234 564615283 /nfs/dbraw/zinc/61/52/83/564615283.db2.gz QUAUVPDNKYWYRJ-JLSDUUJJSA-N 1 0 390.307 2.643 20 0 GFADRO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)[C@H]1CC(=O)Nc2ccc(Br)cc21 ZINC000485506293 564617755 /nfs/dbraw/zinc/61/77/55/564617755.db2.gz OOHVDYAJAVBVAZ-HOCLYGCPSA-N 1 0 394.313 2.674 20 0 GFADRO COc1ccc(COC[C@H](O)C[NH2+]Cc2ccc(O)c(Br)c2)cc1 ZINC000572993116 564618279 /nfs/dbraw/zinc/61/82/79/564618279.db2.gz OEGOLGVKLIJCPN-OAHLLOKOSA-N 1 0 396.281 2.831 20 0 GFADRO CC(C)C[NH+]1CCC(NC(=O)C(=O)NCc2ccc(Cl)cc2Cl)CC1 ZINC000550302613 564619708 /nfs/dbraw/zinc/61/97/08/564619708.db2.gz ZSIRZCVXQYQVQS-UHFFFAOYSA-N 1 0 386.323 2.846 20 0 GFADRO NC(=O)C[C@@H]([NH2+]Cc1cccc(I)c1)c1ccccc1 ZINC000550295646 564620057 /nfs/dbraw/zinc/62/00/57/564620057.db2.gz DTXRWNKAKDYZAV-OAHLLOKOSA-N 1 0 380.229 2.998 20 0 GFADRO COCCO[C@@H]1COCC[C@@H]1[NH2+]Cc1ccc(Br)c2cccnc12 ZINC000485690681 564622864 /nfs/dbraw/zinc/62/28/64/564622864.db2.gz WKALYIFMUQSDOL-DLBZAZTESA-N 1 0 395.297 2.907 20 0 GFADRO CC[C@@H](NC(=O)CN1CC[NH+](CC)CC1)c1cc(F)cc(Br)c1 ZINC000485685634 564623062 /nfs/dbraw/zinc/62/30/62/564623062.db2.gz UIMBHFHHLVAWLK-MRXNPFEDSA-N 1 0 386.309 2.793 20 0 GFADRO CO[C@@H]1CCN(Cc2cc3c(cc2Br)OCCCO3)[C@@H](C[NH3+])C1 ZINC000573121570 564623701 /nfs/dbraw/zinc/62/37/01/564623701.db2.gz KQOGCQIJLHXHGN-ZIAGYGMSSA-N 1 0 385.302 2.549 20 0 GFADRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)NCc2cccc(Cl)c2Cl)C1 ZINC000550418816 564624213 /nfs/dbraw/zinc/62/42/13/564624213.db2.gz MEAJGEGAJDCMNX-CYBMUJFWSA-N 1 0 386.323 2.846 20 0 GFADRO COCCO[C@H]1COCC[C@@H]1[NH2+]CC1=Cc2cc(Br)ccc2OC1 ZINC000485721907 564624450 /nfs/dbraw/zinc/62/44/50/564624450.db2.gz BQBLPQBVPRJTQH-WMZOPIPTSA-N 1 0 398.297 2.635 20 0 GFADRO CCn1nc(C)c(CNc2cc(N3CCOCC3)c(Br)c[nH+]2)c1C ZINC000573175380 564626055 /nfs/dbraw/zinc/62/60/55/564626055.db2.gz PGDLWRWTIRUICY-UHFFFAOYSA-N 1 0 394.317 3.126 20 0 GFADRO O=C(NCCCOc1ccc(Cl)cc1Cl)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000485808606 564626144 /nfs/dbraw/zinc/62/61/44/564626144.db2.gz BNTRLSHPRAGWDR-LLVKDONJSA-N 1 0 383.279 2.992 20 0 GFADRO CC(C)[N@H+](C)C[C@H](C)NC(=O)NCC(=O)Nc1cc(Cl)ccc1Cl ZINC000573194749 564627107 /nfs/dbraw/zinc/62/71/07/564627107.db2.gz DDYYCAVDABYKQQ-NSHDSACASA-N 1 0 375.300 2.960 20 0 GFADRO C[C@@H]([NH3+])[C@H](C)NS(=O)(=O)c1csc(-c2cccc(Br)c2)n1 ZINC000573205820 564628414 /nfs/dbraw/zinc/62/84/14/564628414.db2.gz CPVSTQYDLBMTMW-BDAKNGLRSA-N 1 0 390.328 2.587 20 0 GFADRO CCC[C@H](C(=O)NC[C@H](CO)Cc1ccc(F)c(Br)c1)[NH+](C)C ZINC000456718315 564628397 /nfs/dbraw/zinc/62/83/97/564628397.db2.gz MDUZVHUPCGZYQE-CZUORRHYSA-N 1 0 389.309 2.586 20 0 GFADRO C[C@H](NC(=O)CN(C)[C@@H](C)C(=O)NC(C)(C)C)c1ccc(Br)cc1 ZINC000485882202 564629208 /nfs/dbraw/zinc/62/92/08/564629208.db2.gz PFCAOMJMKAKNAG-STQMWFEESA-N 1 0 398.345 2.861 20 0 GFADRO COCCCN(C1CC[NH+](C)CC1)S(=O)(=O)Cc1cc(Cl)ccc1F ZINC000573291276 564630931 /nfs/dbraw/zinc/63/09/31/564630931.db2.gz KJABSTPZMIEVST-UHFFFAOYSA-N 1 0 392.924 2.742 20 0 GFADRO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NC[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000485927896 564631789 /nfs/dbraw/zinc/63/17/89/564631789.db2.gz ARMQTMNSIFHUJB-CKEIUWERSA-N 1 0 380.330 2.589 20 0 GFADRO C[NH+]1CCC(N(C[C@@H](O)CC(C)(C)C)S(=O)(=O)CCC(C)(C)C)CC1 ZINC000550823064 564632232 /nfs/dbraw/zinc/63/22/32/564632232.db2.gz LVDFIUPLNJUNHR-KRWDZBQOSA-N 1 0 376.607 2.946 20 0 GFADRO CC[N@H+](C)Cc1cccc(CNS(=O)(=O)c2cncc(Br)c2)c1 ZINC000521639125 564632386 /nfs/dbraw/zinc/63/23/86/564632386.db2.gz YJYDJGTVRKYGJX-UHFFFAOYSA-N 1 0 398.326 2.774 20 0 GFADRO C[N@@H+]1CCC[C@@H](CNC(=O)c2ccn(-c3ccc(Br)cc3)n2)C1 ZINC000550849086 564633563 /nfs/dbraw/zinc/63/35/63/564633563.db2.gz XKUQDDBNRYEYKN-ZDUSSCGKSA-N 1 0 377.286 2.706 20 0 GFADRO O=C(NCCCC[NH+]1CCOCC1)N[C@H]1C[C@H]1c1cccc(Br)c1 ZINC000521684222 564634434 /nfs/dbraw/zinc/63/44/34/564634434.db2.gz SAZXVTHDACAWKV-IRXDYDNUSA-N 1 0 396.329 2.717 20 0 GFADRO C[NH+](C)Cc1ccccc1C(=O)NCC(=O)Nc1ccc(Br)cc1 ZINC000485993457 564634530 /nfs/dbraw/zinc/63/45/30/564634530.db2.gz JUBAAVSKTFTOSU-UHFFFAOYSA-N 1 0 390.281 2.879 20 0 GFADRO CC[NH+]1CCN(CC(C)(C)NC(=O)Cc2ccc(C)cc2Br)CC1 ZINC000456878438 564636909 /nfs/dbraw/zinc/63/69/09/564636909.db2.gz JHDUMHDMJMEUMH-UHFFFAOYSA-N 1 0 396.373 2.832 20 0 GFADRO O=S(=O)(CCC(F)(F)F)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000551147804 564639075 /nfs/dbraw/zinc/63/90/75/564639075.db2.gz LGTMMLDFRFDHST-UHFFFAOYSA-N 1 0 378.460 2.909 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)N1CCO[C@@]2(CCSC2)C1)c1ccc(Cl)cc1 ZINC000573485147 564640076 /nfs/dbraw/zinc/64/00/76/564640076.db2.gz ZSCUMRCTLOCCEX-AEFFLSMTSA-N 1 0 383.945 2.860 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)N1CCO[C@]2(CCSC2)C1)c1ccc(Cl)cc1 ZINC000573485154 564640722 /nfs/dbraw/zinc/64/07/22/564640722.db2.gz ZSCUMRCTLOCCEX-SJLPKXTDSA-N 1 0 383.945 2.860 20 0 GFADRO COC(=O)c1cc(C[NH2+]C[C@@H](O)COc2ccc(Br)cc2)oc1C ZINC000573476506 564640744 /nfs/dbraw/zinc/64/07/44/564640744.db2.gz LUYKOTJUNZLBDF-CYBMUJFWSA-N 1 0 398.253 2.667 20 0 GFADRO CC[C@@H](NC(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1)c1ccc(Cl)s1 ZINC000551219298 564642609 /nfs/dbraw/zinc/64/26/09/564642609.db2.gz UPJCDFLMSAZSLE-BDJLRTHQSA-N 1 0 389.974 2.522 20 0 GFADRO CCCc1ccc(Cl)c(S(=O)(=O)NCC2(O)CC[NH+](C(C)C)CC2)c1 ZINC000551215199 564643079 /nfs/dbraw/zinc/64/30/79/564643079.db2.gz PAASENKRDNAHCR-UHFFFAOYSA-N 1 0 388.961 2.806 20 0 GFADRO CN(C(=O)NCCC1=CC[NH2+]CC1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000573584162 564645381 /nfs/dbraw/zinc/64/53/81/564645381.db2.gz WXSPDQVOOBDNDB-IRXDYDNUSA-N 1 0 384.307 2.903 20 0 GFADRO CSC1(CNS(=O)(=O)N2CCC3(CCCCC3)CC2)CC[NH+](C)CC1 ZINC000573611189 564646129 /nfs/dbraw/zinc/64/61/29/564646129.db2.gz XMLDCMVWJKPADJ-UHFFFAOYSA-N 1 0 389.631 2.695 20 0 GFADRO Cc1cc(NC(=O)C(=O)NC[C@@H]2CC[N@@H+](C(C)C)C2)cc(C)c1Br ZINC000573633618 564647003 /nfs/dbraw/zinc/64/70/03/564647003.db2.gz MZZJZRRWILRJEW-AWEZNQCLSA-N 1 0 396.329 2.851 20 0 GFADRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)c2cnc3ccc(Br)cc3c2O)C1 ZINC000457112281 564647358 /nfs/dbraw/zinc/64/73/58/564647358.db2.gz IVYBTIMWLLPRTM-ZDUSSCGKSA-N 1 0 392.297 2.845 20 0 GFADRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)COc2ccsc2Cl)CC1 ZINC000551519244 564653304 /nfs/dbraw/zinc/65/33/04/564653304.db2.gz BTQUHOMBSKSPMC-GASCZTMLSA-N 1 0 385.961 2.797 20 0 GFADRO CCCc1ccc(Cl)c(S(=O)(=O)NCCCCN2CC[NH+](C)CC2)c1 ZINC000551519231 564653730 /nfs/dbraw/zinc/65/37/30/564653730.db2.gz VTVHAKPSAMVBIK-UHFFFAOYSA-N 1 0 387.977 2.598 20 0 GFADRO C[NH+](C)CCOC1CCN(Cc2cccc(I)c2)CC1 ZINC000551556685 564654618 /nfs/dbraw/zinc/65/46/18/564654618.db2.gz SHMUHXDKCCBIOV-UHFFFAOYSA-N 1 0 388.293 2.834 20 0 GFADRO C[C@H]([NH2+]CC1(O)CCS(=O)(=O)CC1)c1ccc(SCC(F)(F)F)cc1 ZINC000551563305 564655115 /nfs/dbraw/zinc/65/51/15/564655115.db2.gz FNRKSCCLUNKUTL-LBPRGKRZSA-N 1 0 397.484 2.931 20 0 GFADRO O=C(NCC[C@H]1CCC[NH2+]C1)NCc1cc(Br)cc2c1OCC2 ZINC000573820396 564656174 /nfs/dbraw/zinc/65/61/74/564656174.db2.gz NXSMPYYXSICRKA-GFCCVEGCSA-N 1 0 382.302 2.573 20 0 GFADRO CSCC[C@@H](NC(=O)c1ccccc1Cl)C(=O)N1CCC[C@@H]([NH3+])[C@H]1C ZINC000457356222 564657899 /nfs/dbraw/zinc/65/78/99/564657899.db2.gz CLWKVCVOJPZFHM-DAXOMENPSA-N 1 0 383.945 2.530 20 0 GFADRO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(Br)cc2)CC[N@@H+](C2CCC2)C1 ZINC000551626310 564657963 /nfs/dbraw/zinc/65/79/63/564657963.db2.gz IWMKUCYMHFBRAJ-ZDUSSCGKSA-N 1 0 394.313 2.720 20 0 GFADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCc2ccc(Br)cc2C1 ZINC000551656931 564658903 /nfs/dbraw/zinc/65/89/03/564658903.db2.gz XNRSDSHVSBFEDS-KRWDZBQOSA-N 1 0 396.329 2.628 20 0 GFADRO COC[C@]1(CNC(=O)[C@@H](C)Sc2ccc(Br)cc2)CCC[NH2+]1 ZINC000573913625 564659721 /nfs/dbraw/zinc/65/97/21/564659721.db2.gz BOWNMVFHDDYADK-MLGOLLRUSA-N 1 0 387.343 2.815 20 0 GFADRO O=C(c1n[nH]c2ccc(Br)cc21)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000573918105 564659839 /nfs/dbraw/zinc/65/98/39/564659839.db2.gz NNODPGLHQJWTGW-RYUDHWBXSA-N 1 0 377.286 2.787 20 0 GFADRO Ic1cccc(OCCC[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000573920306 564659891 /nfs/dbraw/zinc/65/98/91/564659891.db2.gz KRLVUFNYGVXXAE-UONOGXRCSA-N 1 0 386.277 2.601 20 0 GFADRO C[C@H]1C[C@H]1[N@@H+]1CCN(C(=O)C(=O)Nc2ccc(Br)cc2)C[C@@H](C)C1 ZINC000551693492 564660839 /nfs/dbraw/zinc/66/08/39/564660839.db2.gz WWYKUZFCTXVHGH-HEHGZKQESA-N 1 0 394.313 2.576 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)N2CCN(c3cccc(Br)c3)CC2)CC[N@@H+]1C ZINC000573941228 564660961 /nfs/dbraw/zinc/66/09/61/564660961.db2.gz XGFUOZQPYFACRK-ZBFHGGJFSA-N 1 0 395.345 2.763 20 0 GFADRO O=C(c1cc([C@@H]2CC[NH2+]C2)n[nH]1)N1CCc2c(Br)ccc(F)c2C1 ZINC000573962641 564661823 /nfs/dbraw/zinc/66/18/23/564661823.db2.gz GDNWFHBPEOXMFY-SNVBAGLBSA-N 1 0 393.260 2.587 20 0 GFADRO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NC1CCN(Cc2ccc(Br)cc2)CC1 ZINC000486677168 564661984 /nfs/dbraw/zinc/66/19/84/564661984.db2.gz OLDINTKANLWNFN-KDOFPFPSSA-N 1 0 394.357 2.727 20 0 GFADRO Cc1cc(S(=O)(=O)N2CC[C@H]3CC[N@@H+](C)C[C@@H]32)c(C)cc1Br ZINC000486696680 564663317 /nfs/dbraw/zinc/66/33/17/564663317.db2.gz MVPVEYBJVINMBE-HIFRSBDPSA-N 1 0 387.343 2.781 20 0 GFADRO C[C@H](NC(=O)NCCC[N@@H+]1CCCC[C@@H]1C)c1ncc(Br)cn1 ZINC000457497524 564663601 /nfs/dbraw/zinc/66/36/01/564663601.db2.gz FOBWHWLJNFEEJD-STQMWFEESA-N 1 0 384.322 2.864 20 0 GFADRO Cn1nccc1[C@@H]1OCC[C@H]1C[NH2+]Cc1cn2cc(Br)ccc2n1 ZINC000486701803 564664178 /nfs/dbraw/zinc/66/41/78/564664178.db2.gz RELZAMUKHQYMLP-YVEFUNNKSA-N 1 0 390.285 2.698 20 0 GFADRO C[C@H](NC(=O)N[C@H](C[NH+](C)C)c1ccccc1)c1ncc(Br)cn1 ZINC000457526679 564664714 /nfs/dbraw/zinc/66/47/14/564664714.db2.gz KEYJWNHEYJRCOR-SWLSCSKDSA-N 1 0 392.301 2.902 20 0 GFADRO C[NH+]1CCC(CNC(=O)c2cn(Cc3ccc(Cl)cc3Cl)nn2)CC1 ZINC000457541761 564665360 /nfs/dbraw/zinc/66/53/60/564665360.db2.gz SVVLEKVTLOUGNQ-UHFFFAOYSA-N 1 0 382.295 2.705 20 0 GFADRO CC[N@@H+]1CCCN(C(=O)c2cn(Cc3ccc(Cl)cc3Cl)nn2)CC1 ZINC000457580439 564666128 /nfs/dbraw/zinc/66/61/28/564666128.db2.gz OQCYVIUEXBVCAF-UHFFFAOYSA-N 1 0 382.295 2.801 20 0 GFADRO CCC[NH+]1CCC(CNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1 ZINC000574067781 564667251 /nfs/dbraw/zinc/66/72/51/564667251.db2.gz ACCLTMOSCNMWBN-UHFFFAOYSA-N 1 0 380.432 2.986 20 0 GFADRO CC1CC[NH+](C[C@@H]2CCCN(C(=O)NCc3n[nH]cc3Br)C2)CC1 ZINC000523431010 564667458 /nfs/dbraw/zinc/66/74/58/564667458.db2.gz RTFVRKYOPWAHGN-AWEZNQCLSA-N 1 0 398.349 2.826 20 0 GFADRO CC[NH2+]CCCNC(=O)Nc1cc(Br)cnc1OCC(F)(F)F ZINC000574139567 564669648 /nfs/dbraw/zinc/66/96/48/564669648.db2.gz NAOILWOOICZBCS-UHFFFAOYSA-N 1 0 399.211 2.906 20 0 GFADRO CCOC(=O)C[C@H](NC(=O)[C@@H]1C[N@H+](C)C[C@H]1C)c1cccc(Br)c1 ZINC000487028956 564673850 /nfs/dbraw/zinc/67/38/50/564673850.db2.gz ZQMKAVBESNNERS-WQVCFCJDSA-N 1 0 397.313 2.757 20 0 GFADRO COCC1([NH2+][C@@H](C)CC(=O)Nc2cccc(Br)c2)CCOCC1 ZINC000552075339 564676500 /nfs/dbraw/zinc/67/65/00/564676500.db2.gz UIJTYNSBKGYVLE-ZDUSSCGKSA-N 1 0 385.302 2.951 20 0 GFADRO COCC[N@@H+]1CC[C@@H](NC(=O)NCc2ccc(-c3csc(C)n3)s2)C1 ZINC000524137731 564677015 /nfs/dbraw/zinc/67/70/15/564677015.db2.gz JMAZHFKSJBFQHH-CYBMUJFWSA-N 1 0 380.539 2.700 20 0 GFADRO O=C([C@H]1CCCC[N@H+]1CCOc1cccc(Br)c1)N1CCOCC1 ZINC000524177351 564677998 /nfs/dbraw/zinc/67/79/98/564677998.db2.gz ZCXFLLROQQACOH-QGZVFWFLSA-N 1 0 397.313 2.541 20 0 GFADRO CN(C)c1ccccc1C[NH2+]C[C@@H]1CCN(S(=O)(=O)c2cccs2)C1 ZINC000552173593 564680307 /nfs/dbraw/zinc/68/03/07/564680307.db2.gz IXFUXGCMPYRVPY-HNNXBMFYSA-N 1 0 379.551 2.615 20 0 GFADRO Cn1ncc(Br)c1CNCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000487308506 564682964 /nfs/dbraw/zinc/68/29/64/564682964.db2.gz UBBQSOSDXZOUJO-UHFFFAOYSA-N 1 0 393.329 2.947 20 0 GFADRO C[C@H](Cc1cccc(Br)c1)NC(=O)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000457992999 564683195 /nfs/dbraw/zinc/68/31/95/564683195.db2.gz KGZZFSYQLQIYCB-RHSMWYFYSA-N 1 0 398.345 2.526 20 0 GFADRO O=C(N[C@@H](c1ccc(Br)cc1)C1CCC1)N1CCOC2(C[NH2+]C2)C1 ZINC000574665748 564683809 /nfs/dbraw/zinc/68/38/09/564683809.db2.gz VOQYTTICLGLHAG-MRXNPFEDSA-N 1 0 394.313 2.674 20 0 GFADRO CCNC(=O)[C@@H]([NH2+][C@@H](C)CC(=O)Nc1cccc(Br)c1)C(C)C ZINC000552314167 564685606 /nfs/dbraw/zinc/68/56/06/564685606.db2.gz IZVZEWAFDVVODP-LRDDRELGSA-N 1 0 384.318 2.917 20 0 GFADRO Cc1nc(S(=O)(=O)[N-]C[C@@H](C)N2CCCC[C@H]2C)sc1Br ZINC000574711682 564685702 /nfs/dbraw/zinc/68/57/02/564685702.db2.gz FXQBSWAJWLBAGD-NXEZZACHSA-N 1 0 396.376 2.755 20 0 GFADRO O=C([C@@H]1CCC[N@@H+]1C1CCOCC1)N1CCc2ccc(Br)cc2C1 ZINC000552328188 564686093 /nfs/dbraw/zinc/68/60/93/564686093.db2.gz PPFOCDGMKXCLFP-SFHVURJKSA-N 1 0 393.325 2.977 20 0 GFADRO C[N@@H+]1CCCC[C@@H]1CCC(=O)NCCNC(=O)c1ccc(Br)cc1 ZINC000487564900 564691443 /nfs/dbraw/zinc/69/14/43/564691443.db2.gz KOKQBOLGBHMRMT-MRXNPFEDSA-N 1 0 396.329 2.560 20 0 GFADRO C[C@@H]([NH3+])c1ccc(C(=O)N2CCN(c3ccc(Br)cn3)CC2)cc1 ZINC000575043102 564691708 /nfs/dbraw/zinc/69/17/08/564691708.db2.gz ICCWDZTXOFWZSD-CYBMUJFWSA-N 1 0 389.297 2.826 20 0 GFADRO COc1cc(I)c(Cl)cc1C(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000575125511 564692491 /nfs/dbraw/zinc/69/24/91/564692491.db2.gz GZMFZPUXGJRDFB-JGVFFNPUSA-N 1 0 396.656 2.809 20 0 GFADRO CCn1c(SCC(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)nnc1-c1cccs1 ZINC000525106366 564692995 /nfs/dbraw/zinc/69/29/95/564692995.db2.gz OMCLCBGIWYROKL-STQMWFEESA-N 1 0 379.555 2.718 20 0 GFADRO Cc1cc(C)c(C[NH2+]C[C@@H](O)COc2cccc(Br)c2)c(=O)[nH]1 ZINC000552497353 564693282 /nfs/dbraw/zinc/69/32/82/564693282.db2.gz HMDXCQORBOTSRP-CQSZACIVSA-N 1 0 381.270 2.696 20 0 GFADRO O=C(NCc1cc(Br)cs1)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000525177659 564694197 /nfs/dbraw/zinc/69/41/97/564694197.db2.gz KLOWSKXJOKBNDX-QGZVFWFLSA-N 1 0 395.322 2.764 20 0 GFADRO C[NH+](C)CCOc1cnccc1CNC(=O)Cc1cscc1Br ZINC000552578334 564696012 /nfs/dbraw/zinc/69/60/12/564696012.db2.gz FFEAKKFBKFXOOR-UHFFFAOYSA-N 1 0 398.326 2.705 20 0 GFADRO COc1ccc(NC(=O)CC[N@H+](C)CCn2cc(Br)cn2)cc1 ZINC000575503784 564700453 /nfs/dbraw/zinc/70/04/53/564700453.db2.gz DYRYGEWQWXTCHM-UHFFFAOYSA-N 1 0 381.274 2.615 20 0 GFADRO CC(C)[C@H]1CN(C[C@H](O)COc2cc(F)cc(Br)c2)CC[N@@H+]1C ZINC000487969748 564700534 /nfs/dbraw/zinc/70/05/34/564700534.db2.gz INIASQNBFKMPAE-DOTOQJQBSA-N 1 0 389.309 2.600 20 0 GFADRO COCC[C@H](Cc1cccc(Br)c1)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000525477068 564701948 /nfs/dbraw/zinc/70/19/48/564701948.db2.gz SYVDXMUVKYISQJ-WBVHZDCISA-N 1 0 395.341 2.997 20 0 GFADRO O=S(=O)(c1ccc(F)c(Br)c1)N1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000576016562 564704790 /nfs/dbraw/zinc/70/47/90/564704790.db2.gz FNWCQJTVHFRAKS-HUUCEWRRSA-N 1 0 391.306 2.883 20 0 GFADRO Cn1nnc2cc(C[N@H+](CCO)Cc3cccc(Br)c3)ccc21 ZINC000488198174 564706313 /nfs/dbraw/zinc/70/63/13/564706313.db2.gz ILAKWLONGCVKLO-UHFFFAOYSA-N 1 0 375.270 2.725 20 0 GFADRO OCC[N@@H+](Cc1cccc(Br)c1)C[C@@H](O)COCc1ccccc1 ZINC000488226316 564707398 /nfs/dbraw/zinc/70/73/98/564707398.db2.gz FBWCAINJZCASAF-LJQANCHMSA-N 1 0 394.309 2.821 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)c2ccc(-n3cc(Br)cn3)cc2)CC[N@@H+]1C ZINC000525766146 564708464 /nfs/dbraw/zinc/70/84/64/564708464.db2.gz UKHVWDOLDINEPY-IUODEOHRSA-N 1 0 377.286 2.847 20 0 GFADRO C[NH2+][C@H]1CCCN(C(=O)[C@H](c2ccc(Br)cc2)N2CCCC2)C1 ZINC000576225559 564708687 /nfs/dbraw/zinc/70/86/87/564708687.db2.gz TUJJKEPLCLLNSD-IRXDYDNUSA-N 1 0 380.330 2.796 20 0 GFADRO C[C@H]1CC[N@H+](CCNC(=O)c2cnn(-c3cccc(Br)c3)c2)C1 ZINC000525804931 564709326 /nfs/dbraw/zinc/70/93/26/564709326.db2.gz XHSBLQICATTWIF-ZDUSSCGKSA-N 1 0 377.286 2.706 20 0 GFADRO C[C@H]1CC2(CN1S(=O)(=O)c1cc(F)ccc1OC(F)F)CC[NH2+]CC2 ZINC000576269968 564709878 /nfs/dbraw/zinc/70/98/78/564709878.db2.gz IFKRBXWLYLIWPH-NSHDSACASA-N 1 0 378.416 2.580 20 0 GFADRO CC[NH+](CC)CCS(=O)(=O)NCCc1cc(Cl)ccc1Br ZINC000576268212 564710158 /nfs/dbraw/zinc/71/01/58/564710158.db2.gz LBAAWVCUTYFXHL-UHFFFAOYSA-N 1 0 397.766 2.906 20 0 GFADRO C[NH+](C)CCOCCNC(=O)N1CC[C@H](Cc2ccc(Br)cc2)C1 ZINC000458681193 564711604 /nfs/dbraw/zinc/71/16/04/564711604.db2.gz BOFQFOXBERIGNQ-MRXNPFEDSA-N 1 0 398.345 2.601 20 0 GFADRO C[NH+](C)CCOCCNC(=O)N1CC[C@H](c2cccc(Br)c2)C1 ZINC000458685310 564711817 /nfs/dbraw/zinc/71/18/17/564711817.db2.gz FLRGVIUXXOBKEH-HNNXBMFYSA-N 1 0 384.318 2.526 20 0 GFADRO C[C@@H]1CCNC(=O)[C@H]1[NH2+]CC(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000576302642 564711951 /nfs/dbraw/zinc/71/19/51/564711951.db2.gz SWCFFPIIOAIGQI-JGFGOQIWSA-N 1 0 384.307 2.771 20 0 GFADRO Cc1cc2cc(C(=O)NC[C@@]3(O)C[NH+]4CCC3CC4)oc2c(Br)c1 ZINC000576307040 564712178 /nfs/dbraw/zinc/71/21/78/564712178.db2.gz XMGIZEUSXGWOLQ-GOSISDBHSA-N 1 0 393.281 2.690 20 0 GFADRO O=C(NCC[C@H]1CCC[NH2+]C1)N[C@H](c1cncc(Br)c1)C1CC1 ZINC000576451076 564713512 /nfs/dbraw/zinc/71/35/12/564713512.db2.gz NFFCDJGJZINDPB-WBMJQRKESA-N 1 0 381.318 2.984 20 0 GFADRO O[C@H](C[NH2+][C@@H](c1cccc(Br)c1)C1CCOCC1)[C@H]1CCOC1 ZINC000525973337 564714885 /nfs/dbraw/zinc/71/48/85/564714885.db2.gz QVZFPXTXYKQXKV-CGTJXYLNSA-N 1 0 384.314 2.904 20 0 GFADRO O=C(COc1ccccc1Br)NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000576508466 564715041 /nfs/dbraw/zinc/71/50/41/564715041.db2.gz FLHRLVMXADSGLW-INIZCTEOSA-N 1 0 375.266 2.831 20 0 GFADRO C[C@@H]1CN(C(=O)NCC(F)(F)c2ccc(Cl)cc2)C[C@H](C)[N@H+]1CCO ZINC000458744436 564716101 /nfs/dbraw/zinc/71/61/01/564716101.db2.gz DBAHSMRMMTUBJD-BETUJISGSA-N 1 0 375.847 2.528 20 0 GFADRO C[N@@H+]1CCC[C@]2(CCN(C(=O)NCCCCn3cc(Br)cn3)C2)C1 ZINC000458748012 564716220 /nfs/dbraw/zinc/71/62/20/564716220.db2.gz RNMYUEDYQVIEJT-KRWDZBQOSA-N 1 0 398.349 2.553 20 0 GFADRO Cc1cc(S(=O)(=O)NCC2([NH+](C)C)CCC2)c(C)cc1Br ZINC000526085398 564719539 /nfs/dbraw/zinc/71/95/39/564719539.db2.gz UXUCSLSKTAXCEW-UHFFFAOYSA-N 1 0 375.332 2.829 20 0 GFADRO CO[C@@H]1CCN(C(=O)c2cc(Cl)cc(Br)c2F)[C@H](C[NH3+])C1 ZINC000576815890 564720066 /nfs/dbraw/zinc/72/00/66/564720066.db2.gz YVHINQCRTJEQJI-VHSXEESVSA-N 1 0 379.657 2.820 20 0 GFADRO CCC[N@H+](CC)[C@H](C)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000488758087 564720139 /nfs/dbraw/zinc/72/01/39/564720139.db2.gz HDWNSYYUGMBHNI-GFCCVEGCSA-N 1 0 375.922 2.649 20 0 GFADRO O=C(N[C@@H]1C[C@H]1C1CC[NH2+]CC1)c1ccc(-n2cc(Br)cn2)cc1 ZINC000576941664 564721338 /nfs/dbraw/zinc/72/13/38/564721338.db2.gz NWXAZZJFVZLSDI-DLBZAZTESA-N 1 0 389.297 2.753 20 0 GFADRO CSc1ccc([C@H](CNC(=O)N(C)C[C@@H](O)C(F)(F)F)[NH+](C)C)cc1 ZINC000458905211 564723093 /nfs/dbraw/zinc/72/30/93/564723093.db2.gz VGGCOQRUZKSYCR-UONOGXRCSA-N 1 0 379.448 2.576 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1cc(Br)cc2cccnc21 ZINC000553497617 564723175 /nfs/dbraw/zinc/72/31/75/564723175.db2.gz BVPUIAMVNKGEEI-AWEZNQCLSA-N 1 0 398.326 2.760 20 0 GFADRO Cc1nc(CNC(=O)N2CCC[N@@H+](C(C)C)CC2)sc1Br ZINC000458919807 564723946 /nfs/dbraw/zinc/72/39/46/564723946.db2.gz FGFIOKNWYLVRFD-UHFFFAOYSA-N 1 0 375.336 2.840 20 0 GFADRO Cc1nc2ccc(Br)cn2c1C(=O)NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000526990501 564725568 /nfs/dbraw/zinc/72/55/68/564725568.db2.gz HEBBTHTXEPOOCM-ZDUSSCGKSA-N 1 0 379.302 2.865 20 0 GFADRO C[N@H+](Cc1cc(=O)n2cc(Br)ccc2n1)[C@@H](CO)CC(C)(C)C ZINC000577149267 564726565 /nfs/dbraw/zinc/72/65/65/564726565.db2.gz JLLUMOUABOEACF-CQSZACIVSA-N 1 0 382.302 2.686 20 0 GFADRO Cc1ccccc1[C@@H](CO)[NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000527128615 564731691 /nfs/dbraw/zinc/73/16/91/564731691.db2.gz HGOBJUIDQCOLTJ-CRAIPNDOSA-N 1 0 398.272 2.960 20 0 GFADRO C[C@@H](c1ccccc1Br)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000489202477 564732365 /nfs/dbraw/zinc/73/23/65/564732365.db2.gz ZZZPSYQQYIKYGR-HNNXBMFYSA-N 1 0 380.330 2.750 20 0 GFADRO O=C(N[C@H]1CC[N@@H+](C2CC2)C1)N1CCc2cc(Br)cc(F)c2C1 ZINC000527223874 564734340 /nfs/dbraw/zinc/73/43/40/564734340.db2.gz GQKDVACXEZYMOU-ZDUSSCGKSA-N 1 0 382.277 2.893 20 0 GFADRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)NCc2cn3cc(Br)ccc3n2)C1 ZINC000489314245 564734873 /nfs/dbraw/zinc/73/48/73/564734873.db2.gz AWKAYWYAUNHORW-ZFWWWQNUSA-N 1 0 394.317 2.769 20 0 GFADRO O=C(NCC[C@@H]1CC[NH2+]C1)NC[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000577354677 564735441 /nfs/dbraw/zinc/73/54/41/564735441.db2.gz FXKLQGCDXNYEFV-LSDHHAIUSA-N 1 0 395.345 2.574 20 0 GFADRO CC[NH+]1CCN([C@H](C)CNS(=O)(=O)c2c(Cl)ccc(C)c2Cl)CC1 ZINC000527291197 564737184 /nfs/dbraw/zinc/73/71/84/564737184.db2.gz FSAYMQPIPGNLSO-CYBMUJFWSA-N 1 0 394.368 2.606 20 0 GFADRO C[N@@H+]1CCC[C@@H](CCNC(=O)N[C@H](CCO)c2ccccc2Br)C1 ZINC000459293942 564738335 /nfs/dbraw/zinc/73/83/35/564738335.db2.gz INILXDMJRSDRGY-WMLDXEAASA-N 1 0 398.345 2.904 20 0 GFADRO C[N@H+](CCn1cc(Cl)cn1)[C@@H]1CCCN(CCn2cc(Cl)cn2)CC1 ZINC000459375627 564740850 /nfs/dbraw/zinc/74/08/50/564740850.db2.gz NGSHHJBBRNLRCS-QGZVFWFLSA-N 1 0 385.343 2.873 20 0 GFADRO CN(C)C(=O)CC[NH+]1CCN(Cc2cc(Cl)cc(Br)c2)CC1 ZINC000459360288 564741417 /nfs/dbraw/zinc/74/14/17/564741417.db2.gz HBVADQQVBVGJNN-UHFFFAOYSA-N 1 0 388.737 2.698 20 0 GFADRO CCn1nccc1CCN(CC(=O)OC)Cc1cccc(Br)c1 ZINC000578145654 564741421 /nfs/dbraw/zinc/74/14/21/564741421.db2.gz HASOMUXHJCGBPZ-UHFFFAOYSA-N 1 0 380.286 2.883 20 0 GFADRO CC1(NC(=O)NCCNc2ncc(C(F)(F)F)cc2Cl)CC[NH2+]CC1 ZINC000578171761 564742176 /nfs/dbraw/zinc/74/21/76/564742176.db2.gz XJGZHXMQQHHYBM-UHFFFAOYSA-N 1 0 379.814 2.607 20 0 GFADRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(S(=O)(=O)N(CC)CC)cc2)[C@H]1SC ZINC000459385290 564742284 /nfs/dbraw/zinc/74/22/84/564742284.db2.gz XFPQCTDSGNOXHY-RCCFBDPRSA-N 1 0 386.583 2.716 20 0 GFADRO CCCS(=O)(=O)N1CCC([NH2+]Cc2cc(Cl)c(O)c(OCC)c2)CC1 ZINC000459383302 564742530 /nfs/dbraw/zinc/74/25/30/564742530.db2.gz XLEIQRZCBLZBJD-UHFFFAOYSA-N 1 0 390.933 2.738 20 0 GFADRO C[NH+]1CCC([C@H]2CCN(S(=O)(=O)c3c(Cl)ccc(F)c3F)C2)CC1 ZINC000553872908 564742642 /nfs/dbraw/zinc/74/26/42/564742642.db2.gz XKLZGHXURYKLIQ-LBPRGKRZSA-N 1 0 378.872 2.971 20 0 GFADRO C[NH+]1CCN(c2cc(CNCc3cccc(O)c3Br)ccn2)CC1 ZINC000459381860 564742832 /nfs/dbraw/zinc/74/28/32/564742832.db2.gz VPSDSEBJUXJSBX-UHFFFAOYSA-N 1 0 391.313 2.591 20 0 GFADRO CCOc1cc(C[NH2+]CCNS(=O)(=O)c2ccccc2)cc(Cl)c1O ZINC000459386682 564742909 /nfs/dbraw/zinc/74/29/09/564742909.db2.gz LWGRPCLFUPZQPC-UHFFFAOYSA-N 1 0 384.885 2.512 20 0 GFADRO COc1ccc(CCC(=O)N2CC[C@]3(C2)CCC[NH2+]C3)cc1Br ZINC000578349960 564743051 /nfs/dbraw/zinc/74/30/51/564743051.db2.gz YROJXKWXPCYLGF-GOSISDBHSA-N 1 0 381.314 2.992 20 0 GFADRO CNc1cc(N2CCC[C@H]2C[NH2+]Cc2cccc(O)c2Br)ncn1 ZINC000459406567 564743364 /nfs/dbraw/zinc/74/33/64/564743364.db2.gz UKGGJMUWOWUNDM-ZDUSSCGKSA-N 1 0 392.301 2.745 20 0 GFADRO O=C(NCC[NH2+]Cc1cnc(C2CC2)nc1)c1cccc(Br)c1 ZINC000459413497 564744191 /nfs/dbraw/zinc/74/41/91/564744191.db2.gz MXIZXDSHDTYJFA-UHFFFAOYSA-N 1 0 375.270 2.636 20 0 GFADRO O=C(CC[NH2+]C[C@@H](CO)Cc1cccnc1)Nc1ccc(Br)cc1 ZINC000579354377 564747486 /nfs/dbraw/zinc/74/74/86/564747486.db2.gz VTBHCPHHTYOHRB-HNNXBMFYSA-N 1 0 392.297 2.614 20 0 GFADRO CC[NH+]1CCC(NC(=O)CN2CCc3ccc(F)c(Br)c3C2)CC1 ZINC000527621011 564751329 /nfs/dbraw/zinc/75/13/29/564751329.db2.gz DXTGSSWNSHZIEF-UHFFFAOYSA-N 1 0 398.320 2.547 20 0 GFADRO CN(C)[C@@H](C(=O)N1CCc2ccc(F)c(Br)c2C1)c1cncn1C ZINC000527628798 564751724 /nfs/dbraw/zinc/75/17/24/564751724.db2.gz RSBKFHHLHGFSBT-MRXNPFEDSA-N 1 0 395.276 2.509 20 0 GFADRO O=C([C@@H]1CCn2ccnc2C1)N1CCc2ccc(F)c(Br)c2C1 ZINC000527628262 564752240 /nfs/dbraw/zinc/75/22/40/564752240.db2.gz NBMAJIVFKGNEOJ-GFCCVEGCSA-N 1 0 378.245 2.932 20 0 GFADRO CCO[C@H]1C[C@@H]([NH2+]Cc2cc(Br)ccc2O[C@@H](C)C(=O)NC)C1 ZINC000459642133 564753658 /nfs/dbraw/zinc/75/36/58/564753658.db2.gz ZLORLLXTXKIARH-TUKIKUTGSA-N 1 0 385.302 2.620 20 0 GFADRO C[C@@]1(CNC(=O)c2ccc(I)c(F)c2)CCC[NH2+]C1 ZINC000580304122 564755225 /nfs/dbraw/zinc/75/52/25/564755225.db2.gz YTFXVGJYRYLXAY-CQSZACIVSA-N 1 0 376.213 2.550 20 0 GFADRO Cn1nccc1N1CCC[C@@H]([NH2+]Cc2ncc(Cl)cc2Br)C1 ZINC000527701689 564756108 /nfs/dbraw/zinc/75/61/08/564756108.db2.gz WEYYWLWLCILTLP-GFCCVEGCSA-N 1 0 384.709 2.990 20 0 GFADRO Brc1ccc(-c2nc(CN3CCN([C@H]4CC[NH2+]C4)CC3)co2)cc1 ZINC000489881419 564756606 /nfs/dbraw/zinc/75/66/06/564756606.db2.gz FQQHRCAQXDLHRB-KRWDZBQOSA-N 1 0 391.313 2.584 20 0 GFADRO C[C@H](Oc1ccccc1Br)C(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000489966187 564758064 /nfs/dbraw/zinc/75/80/64/564758064.db2.gz OSJNQDGZUOJKTQ-AWEZNQCLSA-N 1 0 399.329 2.786 20 0 GFADRO CC[C@@H]1CC[C@H]1[NH2+]C[C@H](O)COc1ccc(I)cc1 ZINC000554361328 564758341 /nfs/dbraw/zinc/75/83/41/564758341.db2.gz URNGTWBBJAPHAO-OSAQELSMSA-N 1 0 375.250 2.809 20 0 GFADRO Cc1csc(-c2cccc(S(=O)(=O)N3CCC[C@@]4(CC[NH2+]C4)C3)c2)n1 ZINC000489976553 564758340 /nfs/dbraw/zinc/75/83/40/564758340.db2.gz HWGZSEIODRTLMU-SFHVURJKSA-N 1 0 377.535 2.883 20 0 GFADRO O=S(=O)(c1ccc(Br)cc1Cl)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000489991882 564759397 /nfs/dbraw/zinc/75/93/97/564759397.db2.gz WPNFLGXWHMGZHK-CQSZACIVSA-N 1 0 393.734 2.867 20 0 GFADRO O[C@@H](C[NH2+]Cc1cc(Br)cc(Br)c1)[C@H]1CCCO1 ZINC000527756028 564759701 /nfs/dbraw/zinc/75/97/01/564759701.db2.gz JBZGKPXKPMSJGZ-QWHCGFSZSA-N 1 0 379.092 2.841 20 0 GFADRO CO[C@@H]1C[C@H]([NH2+]CC(=O)N(C)Cc2ccccc2Br)C12CCC2 ZINC000459748063 564759689 /nfs/dbraw/zinc/75/96/89/564759689.db2.gz JOTJIYMKLWVWDC-JKSUJKDBSA-N 1 0 381.314 2.955 20 0 GFADRO O[C@@H](C[NH2+]C1CCN(Cc2ccccc2Br)CC1)[C@@H]1CCCO1 ZINC000527759330 564759872 /nfs/dbraw/zinc/75/98/72/564759872.db2.gz SVIYIAZIKCBXRC-ROUUACIJSA-N 1 0 383.330 2.543 20 0 GFADRO Cc1cc(S(=O)(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)sc1Br ZINC000490014992 564760470 /nfs/dbraw/zinc/76/04/70/564760470.db2.gz RYVGQTZBAZVEGJ-ZDUSSCGKSA-N 1 0 379.345 2.583 20 0 GFADRO OC[C@@]1([NH2+]Cc2cc(Br)cc3c2OCC3)COc2ccccc2C1 ZINC000527769918 564760554 /nfs/dbraw/zinc/76/05/54/564760554.db2.gz SQGTTXPEKOJPPG-LJQANCHMSA-N 1 0 390.277 2.840 20 0 GFADRO COc1ccc(C[NH2+][C@]2(CO)COc3ccccc3C2)cc1Br ZINC000527768234 564760783 /nfs/dbraw/zinc/76/07/83/564760783.db2.gz JEDICGVSBFBGIE-GOSISDBHSA-N 1 0 378.266 2.914 20 0 GFADRO C[C@H]([NH2+]C[C@H](O)COc1ccc(Cl)cc1Br)c1ccn(C)n1 ZINC000459772667 564760955 /nfs/dbraw/zinc/76/09/55/564760955.db2.gz BYOCUUHXDDYRCL-JQWIXIFHSA-N 1 0 388.693 2.927 20 0 GFADRO O=S(=O)(C[C@@H](O)C[NH2+][C@H]1CCc2cc(F)c(Cl)cc21)c1cccs1 ZINC000527874449 564763136 /nfs/dbraw/zinc/76/31/36/564763136.db2.gz CWCOFLCMUSNOPU-NHYWBVRUSA-N 1 0 389.901 2.952 20 0 GFADRO CC(C)[C@H](C(=O)N1CCN(Cc2ccc(Br)cc2)CC1)[C@H](C)[NH3+] ZINC000580556348 564763916 /nfs/dbraw/zinc/76/39/16/564763916.db2.gz MMETWBSSQVTDBK-YOEHRIQHSA-N 1 0 382.346 2.713 20 0 GFADRO NC(=O)[C@H]1CCCN1CCC[NH2+]Cc1cc2cc(Br)ccc2o1 ZINC000580571586 564764727 /nfs/dbraw/zinc/76/47/27/564764727.db2.gz AVUQXCNNLODHKP-OAHLLOKOSA-N 1 0 380.286 2.625 20 0 GFADRO C[C@H]([NH2+]C[C@@H](n1cccn1)C(F)(F)F)c1cccc(NS(C)(=O)=O)c1 ZINC000527938125 564765331 /nfs/dbraw/zinc/76/53/31/564765331.db2.gz JLKKWDQOERWMCY-SMDDNHRTSA-N 1 0 376.404 2.709 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)C(=O)N(C)Cc1c(Cl)cccc1Cl ZINC000459961020 564766023 /nfs/dbraw/zinc/76/60/23/564766023.db2.gz NHOPMOSVEJGODL-CYBMUJFWSA-N 1 0 386.323 2.895 20 0 GFADRO Cc1nc2c(cc(OC[C@H](O)CN3CC[NH+](C)CC3)c3ccsc32)s1 ZINC000580628949 564767000 /nfs/dbraw/zinc/76/70/00/564767000.db2.gz WAHPIMXKPBLZKH-CYBMUJFWSA-N 1 0 377.535 2.807 20 0 GFADRO CC(C)[C@H]1C[NH2+]CCN1S(=O)(=O)c1ccc(Br)cc1Cl ZINC000528046540 564768053 /nfs/dbraw/zinc/76/80/53/564768053.db2.gz FSQHUSKIIKIJRQ-GFCCVEGCSA-N 1 0 381.723 2.721 20 0 GFADRO O=C1N=NCN1C1CC[NH+](CCOc2cc(F)cc(Br)c2)CC1 ZINC000554852073 564774890 /nfs/dbraw/zinc/77/48/90/564774890.db2.gz QSXDDLCMAUZLHR-UHFFFAOYSA-N 1 0 385.237 2.601 20 0 GFADRO C[N@@H+]1CCCN(C(=O)c2ccccc2NC(=O)[C@@H]2C[C@]2(C)Br)CC1 ZINC000528333836 564777621 /nfs/dbraw/zinc/77/76/21/564777621.db2.gz CUJXVIKZUQUBKS-KSSFIOAISA-N 1 0 394.313 2.576 20 0 GFADRO Cc1cc(I)cc(NC(=O)NCCNc2cc[nH+]cc2)c1 ZINC000490563904 564777600 /nfs/dbraw/zinc/77/76/00/564777600.db2.gz GFOIFJOQVRWOAQ-UHFFFAOYSA-N 1 0 396.232 2.650 20 0 GFADRO CN(Cc1ccc(F)cc1Br)C(=O)c1ccn(CC[NH+](C)C)n1 ZINC000580903577 564778566 /nfs/dbraw/zinc/77/85/66/564778566.db2.gz VASUXPNYRCJPRS-UHFFFAOYSA-N 1 0 383.265 2.619 20 0 GFADRO Cn1cc(C(=O)NC[C@@]2([NH+](C)C)CCSC2)c(-c2ccc(Cl)s2)n1 ZINC000580986686 564782123 /nfs/dbraw/zinc/78/21/23/564782123.db2.gz VJCYGAUYBORSIR-INIZCTEOSA-N 1 0 384.958 2.969 20 0 GFADRO Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)N1CCCC12CC[NH+](C)CC2 ZINC000555075863 564783036 /nfs/dbraw/zinc/78/30/36/564783036.db2.gz UNUUNSLWMUOGMF-UHFFFAOYSA-N 1 0 378.826 2.951 20 0 GFADRO O=C(N[C@@H]1CCOc2c(Br)cccc21)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000581001565 564783142 /nfs/dbraw/zinc/78/31/42/564783142.db2.gz MGCNPRSUOYEUAU-KCPJHIHWSA-N 1 0 380.286 2.666 20 0 GFADRO C[N@H+](CCNC(=O)NC[C@H]1CCN(c2ccc(Br)cc2)C1)C1CC1 ZINC000490921734 564783466 /nfs/dbraw/zinc/78/34/66/564783466.db2.gz MBFWFVPGZKJYNA-CQSZACIVSA-N 1 0 395.345 2.669 20 0 GFADRO CCCN(CC[NH+](CC)CC)S(=O)(=O)c1cc(OC)c(OC)cc1F ZINC000460912237 564783825 /nfs/dbraw/zinc/78/38/25/564783825.db2.gz WLSKOKSKTYPKOM-UHFFFAOYSA-N 1 0 376.494 2.585 20 0 GFADRO COCc1nc(CNC(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)cs1 ZINC000555176066 564785597 /nfs/dbraw/zinc/78/55/97/564785597.db2.gz ADJPIPIYADFQEE-AWEZNQCLSA-N 1 0 380.539 2.987 20 0 GFADRO CC[NH+](CC)CCN(Cc1cccs1)C(=O)NCCN1CCSCC1 ZINC000491088835 564786155 /nfs/dbraw/zinc/78/61/55/564786155.db2.gz CMKIUEGZLQRBMH-UHFFFAOYSA-N 1 0 384.615 2.650 20 0 GFADRO CCN(CC)C(=O)[C@@H]1CCCN1Cc1cc(O)c(OC)cc1Br ZINC000491094562 564786473 /nfs/dbraw/zinc/78/64/73/564786473.db2.gz WTZDEADMHOPRRB-AWEZNQCLSA-N 1 0 385.302 2.996 20 0 GFADRO CC(C)(C)[C@H](O)C[C@@H](CO)[NH2+]Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000581086862 564786601 /nfs/dbraw/zinc/78/66/01/564786601.db2.gz AUDOKUNUHPDIRA-DOTOQJQBSA-N 1 0 396.329 2.882 20 0 GFADRO O=S(=O)(NC[C@H]1CC[N@@H+]1C1CCCCC1)c1cccnc1C(F)(F)F ZINC000528472567 564787646 /nfs/dbraw/zinc/78/76/46/564787646.db2.gz FIZJEMNUGXHVFK-CYBMUJFWSA-N 1 0 377.432 2.786 20 0 GFADRO Cc1cc(C)c(Br)c(C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)c1 ZINC000461012911 564788425 /nfs/dbraw/zinc/78/84/25/564788425.db2.gz CLXYPOTTYKGVMC-HNNXBMFYSA-N 1 0 381.314 2.860 20 0 GFADRO C[C@@H](CCO)CC[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000581131495 564789271 /nfs/dbraw/zinc/78/92/71/564789271.db2.gz JOEVOPNAXRMRAH-DGCLKSJQSA-N 1 0 380.710 2.840 20 0 GFADRO C[C@@H](Oc1cccc(Br)c1)C(=O)N(CC[NH+](C)C)C[C@H]1CCCO1 ZINC000461116925 564791006 /nfs/dbraw/zinc/79/10/06/564791006.db2.gz ZDRXRXWPFZGFBF-RHSMWYFYSA-N 1 0 399.329 2.786 20 0 GFADRO CS(=O)(=O)N1CC[C@H]([NH2+][C@H]2CCCOc3c(Cl)c(Cl)ccc32)C1 ZINC000581255636 564793964 /nfs/dbraw/zinc/79/39/64/564793964.db2.gz LFZCPEKREPYKDM-GWCFXTLKSA-N 1 0 379.309 2.831 20 0 GFADRO Cc1cc(Br)cc2c1[C@@H]([NH2+]CCS(=O)(=O)NC(C)C)CC2 ZINC000492088713 564798793 /nfs/dbraw/zinc/79/87/93/564798793.db2.gz WQVQDIZHYSETNX-AWEZNQCLSA-N 1 0 375.332 2.662 20 0 GFADRO C[N@@H+]1CCC[C@]2(CCN([C@@H](C(N)=O)c3ccc(Br)cc3F)C2)C1 ZINC000555597549 564798965 /nfs/dbraw/zinc/79/89/65/564798965.db2.gz JVPRWBSQRMYCSP-WBVHZDCISA-N 1 0 384.293 2.532 20 0 GFADRO CN(C)S(=O)(=O)CCC[N@@H+]1CCC[C@H]1c1ccc(Br)cc1 ZINC000492195230 564799709 /nfs/dbraw/zinc/79/97/09/564799709.db2.gz NPCSSTJHJNWOIL-HNNXBMFYSA-N 1 0 375.332 2.868 20 0 GFADRO O=C(NC[C@@H]1COCC[NH2+]1)Nc1ccc(Br)c(Cl)c1Cl ZINC000528689845 564800708 /nfs/dbraw/zinc/80/07/08/564800708.db2.gz QHKFTTSJOBKVNA-SSDOTTSWSA-N 1 0 383.073 2.866 20 0 GFADRO COc1cc(Br)cc(S(=O)(=O)N[C@@H]2C[C@H](C)n3ccnc32)c1 ZINC000581470186 564803592 /nfs/dbraw/zinc/80/35/92/564803592.db2.gz OQXUVRIWRJEWIZ-TVQRCGJNSA-N 1 0 386.271 2.639 20 0 GFADRO O=C([C@@H]1C[C@H]1c1csc(Br)c1)N1CC[NH+](C2CCOCC2)CC1 ZINC000528761100 564803756 /nfs/dbraw/zinc/80/37/56/564803756.db2.gz XWQHLMVGENDPCF-LSDHHAIUSA-N 1 0 399.354 2.937 20 0 GFADRO OC[C@@H]1CCC[N@H+](C[C@H](O)COc2ccc(Cl)cc2Br)CC1 ZINC000555751967 564803865 /nfs/dbraw/zinc/80/38/65/564803865.db2.gz TYARGGWVTRZPJU-OCCSQVGLSA-N 1 0 392.721 2.937 20 0 GFADRO O[C@@H](C[NH2+]C[C@H]1COc2ccccc2O1)COc1cccc(Br)c1 ZINC000555889517 564808077 /nfs/dbraw/zinc/80/80/77/564808077.db2.gz VIZNHNPBNDBHAQ-HOCLYGCPSA-N 1 0 394.265 2.618 20 0 GFADRO COc1ccc([C@@H]([NH2+]Cc2cc(Cl)cc(S(N)(=O)=O)c2)C2CC2)cn1 ZINC000528848328 564808244 /nfs/dbraw/zinc/80/82/44/564808244.db2.gz AWYCJAYLTFWNHT-KRWDZBQOSA-N 1 0 381.885 2.632 20 0 GFADRO CCC[NH+]1CCC(N(C)C(=O)C(=O)NCc2cccc(Cl)c2Cl)CC1 ZINC000555940242 564808505 /nfs/dbraw/zinc/80/85/05/564808505.db2.gz NHZJITHAAGGGDY-UHFFFAOYSA-N 1 0 386.323 2.942 20 0 GFADRO Cc1csc(-c2cccc(S(=O)(=O)N[C@@H]3C[C@H]3C3CC[NH2+]CC3)c2)n1 ZINC000461901455 564808663 /nfs/dbraw/zinc/80/86/63/564808663.db2.gz IXTJOUGPDQLWEQ-DLBZAZTESA-N 1 0 377.535 2.785 20 0 GFADRO COC(=O)[C@H](NC(=O)C1CC[NH+](C(C)C)CC1)c1ccc(Br)cc1 ZINC000461977389 564810028 /nfs/dbraw/zinc/81/00/28/564810028.db2.gz AMASJLJHRHTXTJ-MRXNPFEDSA-N 1 0 397.313 2.900 20 0 GFADRO CC1CC[NH+](CCNC(=O)C(=O)N(C)Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000556064395 564811256 /nfs/dbraw/zinc/81/12/56/564811256.db2.gz YWFLQYBJYWDHBL-UHFFFAOYSA-N 1 0 386.323 2.800 20 0 GFADRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NS(=O)(=O)c1cccc(Cl)c1Br ZINC000493850978 564811297 /nfs/dbraw/zinc/81/12/97/564811297.db2.gz WKGJJUBKNCPGCW-JOYOIKCWSA-N 1 0 393.734 2.864 20 0 GFADRO C[C@@H]1CC[C@H]([N@H+](CCO)CC(=O)N(C)Cc2cc(Br)cs2)C1 ZINC000556072691 564812426 /nfs/dbraw/zinc/81/24/26/564812426.db2.gz OVBWZXDQMUXWSP-OCCSQVGLSA-N 1 0 389.359 2.952 20 0 GFADRO Cc1[nH]c(=O)c(Br)cc1C(=O)N[C@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000581682682 564813827 /nfs/dbraw/zinc/81/38/27/564813827.db2.gz GNIBLNMMUGFATD-HOCLYGCPSA-N 1 0 390.281 2.686 20 0 GFADRO CN1CCC[C@@H]1C[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000581721709 564815593 /nfs/dbraw/zinc/81/55/93/564815593.db2.gz MFMSVWQSBBTIOR-CHWSQXEVSA-N 1 0 377.710 2.526 20 0 GFADRO CN1CCC[C@@H]1C[NH2+]C[C@H](O)COc1ccc(Cl)cc1Br ZINC000581721710 564816187 /nfs/dbraw/zinc/81/61/87/564816187.db2.gz MFMSVWQSBBTIOR-OLZOCXBDSA-N 1 0 377.710 2.526 20 0 GFADRO C[C@H]([NH2+][C@@]1(C)CCO[C@@H]1C)C(=O)Nc1cccc(I)c1 ZINC000494236579 564820255 /nfs/dbraw/zinc/82/02/55/564820255.db2.gz FBSBSAQKXCBPOT-RWSFTLGLSA-N 1 0 388.249 2.775 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@@H](NS(=O)(=O)CCc2ccccc2Br)C1 ZINC000462110072 564820547 /nfs/dbraw/zinc/82/05/47/564820547.db2.gz GQFZBSBTBVHLOR-HUUCEWRRSA-N 1 0 389.359 2.784 20 0 GFADRO COC1CC[NH+](C(C)(C)CNS(=O)(=O)c2cc(Cl)ccc2F)CC1 ZINC000556363929 564820884 /nfs/dbraw/zinc/82/08/84/564820884.db2.gz PVOXNGHIGHBHQD-UHFFFAOYSA-N 1 0 378.897 2.647 20 0 GFADRO COC(=O)c1cc(Br)cc(C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000462145418 564824037 /nfs/dbraw/zinc/82/40/37/564824037.db2.gz GJAYJPGNEJOINT-ZDUSSCGKSA-N 1 0 395.297 2.794 20 0 GFADRO CCC[NH+](CCC)CCCNS(=O)(=O)c1ccc(Br)cn1 ZINC000462169124 564825430 /nfs/dbraw/zinc/82/54/30/564825430.db2.gz ZPNRBWSZLURCLR-UHFFFAOYSA-N 1 0 378.336 2.635 20 0 GFADRO C[C@H]1CN(C(=O)C(=O)Nc2cccc(Br)c2)CC[N@@H+](C2CCC2)C1 ZINC000556436830 564826259 /nfs/dbraw/zinc/82/62/59/564826259.db2.gz ROACSMBHWWXKJE-CYBMUJFWSA-N 1 0 394.313 2.720 20 0 GFADRO C[C@@H]1C[C@@H]1[N@@H+]1CCN(C(=O)c2nc(C3CC3)ncc2Br)C[C@@H](C)C1 ZINC000494387282 564827659 /nfs/dbraw/zinc/82/76/59/564827659.db2.gz RLPGBJHTDOGXNK-ZOWXZIJZSA-N 1 0 393.329 2.919 20 0 GFADRO Cc1sc(CNC(=O)NC[C@H]2COCC[NH2+]2)nc1-c1ccc(Cl)cc1 ZINC000529300691 564828160 /nfs/dbraw/zinc/82/81/60/564828160.db2.gz WTBGAPRNHQGPHN-AWEZNQCLSA-N 1 0 380.901 2.560 20 0 GFADRO O=S(=O)(Cc1ccccc1Cl)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000556503292 564828874 /nfs/dbraw/zinc/82/88/74/564828874.db2.gz SVHMBDKZZAOYSD-UHFFFAOYSA-N 1 0 386.945 2.604 20 0 GFADRO CCNC(=O)C[C@@H]1CCCC[N@@H+]1C[C@H](O)COc1ccc(Br)cc1 ZINC000556517407 564828888 /nfs/dbraw/zinc/82/88/88/564828888.db2.gz BJYSIRXPYMZRMV-HOTGVXAUSA-N 1 0 399.329 2.570 20 0 GFADRO CC(C)[C@H]1C[NH2+]CCN1C(=O)NCc1cc(F)c(F)cc1Br ZINC000529329727 564829096 /nfs/dbraw/zinc/82/90/96/564829096.db2.gz ZPBAPXDXUJGKQT-CQSZACIVSA-N 1 0 376.245 2.867 20 0 GFADRO O[C@H](COc1cc(F)cc(Br)c1)C[N@@H+]1CCC[C@@H]1[C@H]1CCCO1 ZINC000556522372 564829246 /nfs/dbraw/zinc/82/92/46/564829246.db2.gz ZTOBVNKULLTRFC-USXIJHARSA-N 1 0 388.277 2.971 20 0 GFADRO C[N@@H+]1CC[C@@H]2OCCN(C(=O)[C@@H]3C[C@H]3c3csc(Br)c3)[C@H]2C1 ZINC000529326555 564829390 /nfs/dbraw/zinc/82/93/90/564829390.db2.gz YPEZOUOOEXSMOQ-CRWXNKLISA-N 1 0 385.327 2.546 20 0 GFADRO CC1(C)Cc2c(cccc2Br)[C@@H]1NC(=O)NC1(C[NH3+])CCOCC1 ZINC000529327357 564829501 /nfs/dbraw/zinc/82/95/01/564829501.db2.gz QTGSLHFFOKPOGL-HNNXBMFYSA-N 1 0 396.329 2.880 20 0 GFADRO CCS(=O)(=O)N1CC(C[NH2+][C@H]2CCc3cc(Br)cc(C)c32)C1 ZINC000494448701 564830225 /nfs/dbraw/zinc/83/02/25/564830225.db2.gz WQZZQAXWIZQYKN-HNNXBMFYSA-N 1 0 387.343 2.616 20 0 GFADRO COc1cc(Br)ccc1CCCNC(=O)C[C@H]1CSCC[NH2+]1 ZINC000582116974 564831446 /nfs/dbraw/zinc/83/14/46/564831446.db2.gz ZOPFCRWBGONHQX-AWEZNQCLSA-N 1 0 387.343 2.602 20 0 GFADRO CC[N@@H+]1C[C@@H](C)N(C(=O)Nc2cccc(C(=O)NC)c2Br)C[C@@H]1C ZINC000494504236 564832127 /nfs/dbraw/zinc/83/21/27/564832127.db2.gz QIASAQZYVUSBPV-NWDGAFQWSA-N 1 0 397.317 2.755 20 0 GFADRO [NH3+]CC[C@@H]1CCCN(C(=O)NCc2ccc(Br)c(F)c2F)C1 ZINC000529370001 564832378 /nfs/dbraw/zinc/83/23/78/564832378.db2.gz LQQUUWOTJRLBTQ-JTQLQIEISA-N 1 0 376.245 2.998 20 0 GFADRO Cn1ccnc1Sc1ncc(C(=O)N[C@H](CC[NH3+])C(F)(F)F)cc1Cl ZINC000582180900 564834163 /nfs/dbraw/zinc/83/41/63/564834163.db2.gz VNQOTNDWUMHYEC-SNVBAGLBSA-N 1 0 393.822 2.629 20 0 GFADRO O[C@H](C[NH2+]CCCOc1ccc(Cl)cc1Cl)COC1CCOCC1 ZINC000582176436 564834405 /nfs/dbraw/zinc/83/44/05/564834405.db2.gz UCGIHIZKFFUWFT-CQSZACIVSA-N 1 0 378.296 2.908 20 0 GFADRO COC(=O)[C@@H](c1ccc(Cl)cc1Cl)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000494703954 564837307 /nfs/dbraw/zinc/83/73/07/564837307.db2.gz RXYXSOQTXADCTH-SUMWQHHRSA-N 1 0 387.307 2.862 20 0 GFADRO [NH3+]CC[C@@H]1CCCN(S(=O)(=O)Cc2cc(Cl)ccc2Br)C1 ZINC000582300903 564839916 /nfs/dbraw/zinc/83/99/16/564839916.db2.gz JIOGTCOKBCOKOJ-NSHDSACASA-N 1 0 395.750 2.993 20 0 GFADRO Ic1cnc(C[NH2+]CCc2ccc3c(c2)OCO3)s1 ZINC000556813757 564842345 /nfs/dbraw/zinc/84/23/45/564842345.db2.gz SZXNBTGCQYTKCM-UHFFFAOYSA-N 1 0 388.230 2.809 20 0 GFADRO COCC[C@H](Cc1cccc(Br)c1)C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000494879875 564842698 /nfs/dbraw/zinc/84/26/98/564842698.db2.gz RABYHEAVWHTXSY-RYRKJORJSA-N 1 0 395.341 2.855 20 0 GFADRO C[C@H](CNC(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1)[N@H+](C)C1CC1 ZINC000494878731 564843178 /nfs/dbraw/zinc/84/31/78/564843178.db2.gz MUSYUNYWRPKIHZ-UKRRQHHQSA-N 1 0 395.345 2.810 20 0 GFADRO COCCC[N@H+](CCn1ccc2cc(Cl)ccc21)[C@H]1CCS(=O)(=O)C1 ZINC000582388784 564843379 /nfs/dbraw/zinc/84/33/79/564843379.db2.gz CALKJSRHKROTAG-KRWDZBQOSA-N 1 0 384.929 2.820 20 0 GFADRO Cc1cn2c(n1)[C@@H](C[NH2+][C@H](C)Cn1cc(Br)ccc1=O)CCC2 ZINC000556876246 564844705 /nfs/dbraw/zinc/84/47/05/564844705.db2.gz KZVFNBUKZFRNRF-TZMCWYRMSA-N 1 0 379.302 2.671 20 0 GFADRO Cc1ccc(Br)cc1S(=O)(=O)N(C)CCC1CC[NH2+]CC1 ZINC000582415382 564845369 /nfs/dbraw/zinc/84/53/69/564845369.db2.gz RDIWHRRKMCQZML-UHFFFAOYSA-N 1 0 375.332 2.768 20 0 GFADRO Cc1[nH]c(=O)c(Br)cc1C(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000556899325 564845580 /nfs/dbraw/zinc/84/55/80/564845580.db2.gz BSLXWIRCHPISPQ-CYBMUJFWSA-N 1 0 382.302 2.662 20 0 GFADRO CCCC[N@H+](C)CCNC(=O)N(CCO)Cc1cc(Br)cs1 ZINC000494992595 564845823 /nfs/dbraw/zinc/84/58/23/564845823.db2.gz AHUUMFPLPJUDJS-UHFFFAOYSA-N 1 0 392.363 2.746 20 0 GFADRO COC(=O)c1cccc(NC(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1Br ZINC000495007221 564846151 /nfs/dbraw/zinc/84/61/51/564846151.db2.gz OIEQNVNGVYUGQB-WDEREUQCSA-N 1 0 384.274 2.840 20 0 GFADRO COC[C@H](C)[C@@H](C)C(=O)NCCc1cn2cc(Br)cc(C)c2n1 ZINC000462553663 564847394 /nfs/dbraw/zinc/84/73/94/564847394.db2.gz PZWZDVPUIKZEKJ-QWHCGFSZSA-N 1 0 382.302 2.983 20 0 GFADRO O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)[C@H](Oc1ccccc1Br)c1ccccc1 ZINC000495106529 564848754 /nfs/dbraw/zinc/84/87/54/564848754.db2.gz WFXVTOWCLODAMP-IDCJVQTKSA-N 1 0 387.277 2.903 20 0 GFADRO O=C(Cc1csc(-c2cc(Br)cs2)n1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000495174778 564850549 /nfs/dbraw/zinc/85/05/49/564850549.db2.gz NMIYNFYJLGLGCA-IWIIMEHWSA-N 1 0 384.324 2.511 20 0 GFADRO Cc1nn(C)c(NC(=O)N[C@H]2CC[NH2+]C2)c1-c1ccc(Br)cc1 ZINC000582556466 564852192 /nfs/dbraw/zinc/85/21/92/564852192.db2.gz FPCGTFHKQOZAFY-ZDUSSCGKSA-N 1 0 378.274 2.641 20 0 GFADRO CNS(=O)(=O)CCC[NH2+][C@@H](CC1CC1)c1cc(F)cc(Br)c1 ZINC000495253949 564852624 /nfs/dbraw/zinc/85/26/24/564852624.db2.gz XAVUIRHSJGCAJG-HNNXBMFYSA-N 1 0 393.322 2.958 20 0 GFADRO Cc1cc(S(=O)(=O)N2CC[C@H]([NH+]3CCCC3)C2)c(F)cc1Br ZINC000557080343 564853215 /nfs/dbraw/zinc/85/32/15/564853215.db2.gz UKRBKACQIOUJCG-LBPRGKRZSA-N 1 0 391.306 2.755 20 0 GFADRO CSc1ncc(C(=O)N2C[C@H](SC)[C@@H]([NH+](C)C)C2)n1-c1ccccc1 ZINC000495551438 564855813 /nfs/dbraw/zinc/85/58/13/564855813.db2.gz ZNNOLZCECYVCMV-HOTGVXAUSA-N 1 0 376.551 2.712 20 0 GFADRO C[NH+](C)CCCCNS(=O)(=O)c1cccc(NC(=O)c2ccsc2)c1 ZINC000557173944 564856898 /nfs/dbraw/zinc/85/68/98/564856898.db2.gz OZSWTPSDGBYFOF-UHFFFAOYSA-N 1 0 381.523 2.621 20 0 GFADRO C[C@@H]1[C@H](NC(=O)NCc2cc(Br)cc3c2OCC3)CCC[N@@H+]1C ZINC000462713930 564856950 /nfs/dbraw/zinc/85/69/50/564856950.db2.gz JIKWHSDHCHPQOX-IAQYHMDHSA-N 1 0 382.302 2.666 20 0 GFADRO O=C(C[NH2+]Cc1cnc2ccc(Br)cn12)Nc1cccc(F)c1 ZINC000462763751 564857825 /nfs/dbraw/zinc/85/78/25/564857825.db2.gz FDFCMGDWTXGNQL-UHFFFAOYSA-N 1 0 377.217 2.964 20 0 GFADRO C[C@@H]1[C@H](C)[N@H+](C)CCN1Cc1noc(Cc2ccc(Br)cc2)n1 ZINC000557181660 564857807 /nfs/dbraw/zinc/85/78/07/564857807.db2.gz WGRKGQWRYVAZJD-QWHCGFSZSA-N 1 0 379.302 2.947 20 0 GFADRO CCOCC[C@@H](O)C[NH2+][C@H]1CCCN(c2ccc(Br)c(C)c2)C1=O ZINC000582721358 564858769 /nfs/dbraw/zinc/85/87/69/564858769.db2.gz DDDPQGBIOSMNIO-WBVHZDCISA-N 1 0 399.329 2.630 20 0 GFADRO C[NH+](C)C[C@H](NC(=O)c1ccoc1CC(N)=O)c1ccc(Cl)c(Cl)c1 ZINC000530034386 564860390 /nfs/dbraw/zinc/86/03/90/564860390.db2.gz VVOOHAAUOZDYPA-AWEZNQCLSA-N 1 0 384.263 2.647 20 0 GFADRO O=C(CCC1CC[NH2+]CC1)N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000582843497 564864533 /nfs/dbraw/zinc/86/45/33/564864533.db2.gz HYTBWOLFDJXEMF-INIZCTEOSA-N 1 0 384.307 2.995 20 0 GFADRO CC[N@H+](C)C[C@@H](O)CSc1nnc(-c2cccs2)n1C[C@H]1CCCO1 ZINC000582857273 564865486 /nfs/dbraw/zinc/86/54/86/564865486.db2.gz YVZWMRZOJHMQFS-ZIAGYGMSSA-N 1 0 382.555 2.590 20 0 GFADRO COc1ccc(Br)cc1C(=O)CCC(=O)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000582885892 564866418 /nfs/dbraw/zinc/86/64/18/564866418.db2.gz JJPGRRBBFFTDMD-SWLSCSKDSA-N 1 0 395.297 2.631 20 0 GFADRO O=C(NCc1cc(Br)cc2c1OCC2)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000463014481 564867141 /nfs/dbraw/zinc/86/71/41/564867141.db2.gz WKJILBCTQLYCPP-HOTGVXAUSA-N 1 0 394.313 2.810 20 0 GFADRO O[C@@H](C[NH2+]C1CCN(Cc2cccc(Br)c2)CC1)C(F)(F)F ZINC000582900939 564867418 /nfs/dbraw/zinc/86/74/18/564867418.db2.gz WFGYWFZUIBEYKN-AWEZNQCLSA-N 1 0 381.236 2.926 20 0 GFADRO C[NH+](C)CCN1CCN(C(=O)CSc2cc(Cl)ccc2Cl)CC1 ZINC000497498250 564869449 /nfs/dbraw/zinc/86/94/49/564869449.db2.gz DDILKCDGZNDDMP-UHFFFAOYSA-N 1 0 376.353 2.791 20 0 GFADRO Brc1cnc(C2CC2)nc1N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530175303 564869552 /nfs/dbraw/zinc/86/95/52/564869552.db2.gz QQBVTGGCEMCLBY-CQSZACIVSA-N 1 0 381.318 2.711 20 0 GFADRO CN1C(=O)c2ccccc2[C@H]1C[NH2+]C[C@@H](O)c1ccccc1Br ZINC000530240924 564872612 /nfs/dbraw/zinc/87/26/12/564872612.db2.gz BYKAIQWZYZKZFF-IAGOWNOFSA-N 1 0 375.266 2.899 20 0 GFADRO C[N@@H+]1CCCN(C(=O)CSCc2ccc(Br)cc2F)CC1 ZINC000497792581 564876673 /nfs/dbraw/zinc/87/66/73/564876673.db2.gz GRVWKBZEGVEDKP-UHFFFAOYSA-N 1 0 375.307 2.986 20 0 GFADRO C[C@@H]([NH2+]CC(=O)N1CCCCC1)c1ccc(Br)cc1OCCCO ZINC000463360430 564877473 /nfs/dbraw/zinc/87/74/73/564877473.db2.gz ILNZTZRELCOZGO-CQSZACIVSA-N 1 0 399.329 2.873 20 0 GFADRO O=C(C[NH2+][C@@H]1CCCC[C@H]1N1CCOCC1)Nc1ccc(Br)cc1 ZINC000530419667 564880166 /nfs/dbraw/zinc/88/01/66/564880166.db2.gz LBXAKVJNSWKHRG-IAGOWNOFSA-N 1 0 396.329 2.621 20 0 GFADRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1S(=O)(=O)c1cc(Br)ccc1F ZINC000557854684 564882480 /nfs/dbraw/zinc/88/24/80/564882480.db2.gz ZLUPIORXTJOYQX-SMDDNHRTSA-N 1 0 391.306 2.836 20 0 GFADRO O=S(=O)(c1ccc(Cl)s1)N1CCC[N@@H+](C[C@@H]2CCCC[C@@H]2O)CC1 ZINC000583247351 564882830 /nfs/dbraw/zinc/88/28/30/564882830.db2.gz FDYJUFFQWGLASB-KBPBESRZSA-N 1 0 392.974 2.649 20 0 GFADRO C[C@]1(C[NH2+]C[C@H](O)COc2cccc(Br)c2)CCO[C@H]1C1CC1 ZINC000583317869 564886621 /nfs/dbraw/zinc/88/66/21/564886621.db2.gz CXRXVBHWQSLMCN-RYQLBKOJSA-N 1 0 384.314 2.984 20 0 GFADRO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000583367445 564888407 /nfs/dbraw/zinc/88/84/07/564888407.db2.gz IHOWWXPOHXUDLW-CQSZACIVSA-N 1 0 384.307 2.649 20 0 GFADRO O[C@@H](C[NH2+][C@@H]1CCN(c2ncccc2Cl)C1)COc1ccc(Cl)cc1 ZINC000583376602 564888415 /nfs/dbraw/zinc/88/84/15/564888415.db2.gz WGUYPPIEORPHMI-CABCVRRESA-N 1 0 382.291 2.997 20 0 GFADRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2nc(-c3cccs3)cs2)C1 ZINC000530606255 564888567 /nfs/dbraw/zinc/88/85/67/564888567.db2.gz JQPKVRVZHSUTGK-LBPRGKRZSA-N 1 0 378.523 2.657 20 0 GFADRO O=C(c1c(Cl)cccc1I)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000463755408 564889282 /nfs/dbraw/zinc/88/92/82/564889282.db2.gz MBWDCSSYNAOZMB-JTQLQIEISA-N 1 0 390.652 2.865 20 0 GFADRO [NH3+][C@H](CC(F)F)C(=O)Nc1ccc(CCn2cc(Br)cn2)cc1 ZINC000498197378 564891196 /nfs/dbraw/zinc/89/11/96/564891196.db2.gz YRAUFHMYEYKMCI-CYBMUJFWSA-N 1 0 387.228 2.809 20 0 GFADRO CCN(CC)C(=O)COc1ccc(NC(=O)[C@H]([NH3+])CC(F)F)cc1Cl ZINC000498205884 564891658 /nfs/dbraw/zinc/89/16/58/564891658.db2.gz XOUCTYWCSXAUQF-GFCCVEGCSA-N 1 0 377.819 2.508 20 0 GFADRO COCCO[C@@H]1COCC[C@@H]1[NH2+][C@H](C)Cc1ccc(F)cc1Br ZINC000558110690 564893114 /nfs/dbraw/zinc/89/31/14/564893114.db2.gz BPISOQIZYRWXOU-OAUYIBNBSA-N 1 0 390.293 2.929 20 0 GFADRO CC[NH+]1CCN(CCNC(=O)CCCc2ccc(Br)s2)CC1 ZINC000498278510 564894411 /nfs/dbraw/zinc/89/44/11/564894411.db2.gz XFKHBGBMOSUFNH-UHFFFAOYSA-N 1 0 388.375 2.587 20 0 GFADRO O=C(NCCCn1cc(Br)cn1)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000498285286 564894442 /nfs/dbraw/zinc/89/44/42/564894442.db2.gz MKPZNFGQVFMMAV-MRXNPFEDSA-N 1 0 398.349 2.599 20 0 GFADRO CC(C)(O)C[N@H+](C[C@H](O)COc1cc(Cl)ccc1Cl)C1CCOCC1 ZINC000530938880 564897966 /nfs/dbraw/zinc/89/79/66/564897966.db2.gz JKLFFUMIUDPCCO-HNNXBMFYSA-N 1 0 392.323 2.985 20 0 GFADRO Cn1cc(C[C@@H]2CC[N@H+](Cc3cc4c(c(Br)c3)OCO4)C2)cn1 ZINC000531104935 564901479 /nfs/dbraw/zinc/90/14/79/564901479.db2.gz VMNRVDSIGSGUCC-LBPRGKRZSA-N 1 0 378.270 2.976 20 0 GFADRO COc1cc(C[NH2+]Cc2ccn(C)c2)cc(I)c1OC ZINC000531117433 564902103 /nfs/dbraw/zinc/90/21/03/564902103.db2.gz NVERIBOWCARILD-UHFFFAOYSA-N 1 0 386.233 2.937 20 0 GFADRO C[C@@H]1CC[N@H+](C)CCN1C(=O)[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000498705644 564905900 /nfs/dbraw/zinc/90/59/00/564905900.db2.gz ITLZVORXPISJFR-TZMCWYRMSA-N 1 0 384.307 2.899 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)[C@@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1)C1CC1 ZINC000498700985 564906168 /nfs/dbraw/zinc/90/61/68/564906168.db2.gz IGEKAPKIDSRURR-WBMJQRKESA-N 1 0 384.307 2.803 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)CCNC(=O)c1ccsc1)c1ccc(Cl)cc1 ZINC000531307321 564906729 /nfs/dbraw/zinc/90/67/29/564906729.db2.gz WTCDWTVPDSFVMD-MRXNPFEDSA-N 1 0 379.913 2.941 20 0 GFADRO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CNC(=O)c1ccc(Cl)cc1Cl ZINC000531396529 564909373 /nfs/dbraw/zinc/90/93/73/564909373.db2.gz SNEOSGSSKXWWIT-ZIAGYGMSSA-N 1 0 384.307 2.808 20 0 GFADRO CSC1(CNC(=O)N2CCC[C@@H](OCC(F)(F)F)C2)CC[NH+](C)CC1 ZINC000558618642 564910011 /nfs/dbraw/zinc/91/00/11/564910011.db2.gz YVGJSGISYXVYOU-CYBMUJFWSA-N 1 0 383.480 2.567 20 0 GFADRO Cc1cc(CCC(=O)NCCCC[NH+]2CCN(C)CC2)ccc1Br ZINC000531430609 564910600 /nfs/dbraw/zinc/91/06/00/564910600.db2.gz JLIODBWLVLHMLO-UHFFFAOYSA-N 1 0 396.373 2.834 20 0 GFADRO C[NH+](C)[C@H]1CCCN(C(=O)c2cccc(F)c2I)CC1 ZINC000558694516 564911492 /nfs/dbraw/zinc/91/14/92/564911492.db2.gz RQYCCHLHLAXGRW-NSHDSACASA-N 1 0 390.240 2.987 20 0 GFADRO Cc1nc(C)c(NC(=O)C(=O)NC[C@@H](c2ccc(Cl)cc2)[NH+](C)C)s1 ZINC000531544700 564912956 /nfs/dbraw/zinc/91/29/56/564912956.db2.gz KESCQQXEKJEVIV-AWEZNQCLSA-N 1 0 380.901 2.771 20 0 GFADRO CC[N@@H+]1C[C@H](C)N(CC(=O)N(C)Cc2cc(Br)cs2)C[C@H]1C ZINC000498913556 564913217 /nfs/dbraw/zinc/91/32/17/564913217.db2.gz ACTFSDULISSNNL-OLZOCXBDSA-N 1 0 388.375 2.884 20 0 GFADRO C[C@H]1C[C@H](NC(=O)NCc2n[nH]cc2Br)C[N@@H+]1Cc1ccccc1 ZINC000531550190 564913658 /nfs/dbraw/zinc/91/36/58/564913658.db2.gz VTFFDBBTKPYPID-JSGCOSHPSA-N 1 0 392.301 2.634 20 0 GFADRO CCC[NH+]1CCN(c2nnc(-c3cc(Br)cn3C)n2CC)CC1 ZINC000558853356 564916979 /nfs/dbraw/zinc/91/69/79/564916979.db2.gz AMLSTZFPDHGOKV-UHFFFAOYSA-N 1 0 381.322 2.598 20 0 GFADRO C[C@H]1[C@@H](NC(=O)c2ccn(-c3ccc(Br)cc3)n2)CCC[N@@H+]1C ZINC000499122139 564918293 /nfs/dbraw/zinc/91/82/93/564918293.db2.gz QZFYOQREUGDWST-WFASDCNBSA-N 1 0 377.286 2.847 20 0 GFADRO CN(C(=O)c1cccc(F)c1I)[C@H]1CCC[N@H+](C)C1 ZINC000533076890 564953889 /nfs/dbraw/zinc/95/38/89/564953889.db2.gz OWNKGHOFBCLHIB-JTQLQIEISA-N 1 0 376.213 2.597 20 0 GFADRO C[C@H](c1ccccc1)[C@@H](O)C[NH2+]C[C@H](O)COc1ccccc1Br ZINC000584053190 564919062 /nfs/dbraw/zinc/91/90/62/564919062.db2.gz BMZLDNTXUFNFMK-HFTRVMKXSA-N 1 0 394.309 2.943 20 0 GFADRO Cc1cc(C[NH2+][C@H](Cc2ccccc2)C(N)=O)ccc1I ZINC000499211668 564920505 /nfs/dbraw/zinc/92/05/05/564920505.db2.gz IERLWNJUFCBQJK-MRXNPFEDSA-N 1 0 394.256 2.786 20 0 GFADRO C[N@@H+]1CCC[C@]2(CCN(S(=O)(=O)Cc3ccccc3C(F)(F)F)C2)C1 ZINC000559133267 564923879 /nfs/dbraw/zinc/92/38/79/564923879.db2.gz SMCRZCCGYUAKBG-INIZCTEOSA-N 1 0 376.444 2.953 20 0 GFADRO CCN(CC)C(=O)C[C@@H](C)[NH2+]CCCNC(=O)c1cccc(Br)c1 ZINC000531961812 564926007 /nfs/dbraw/zinc/92/60/07/564926007.db2.gz OFTDGSGQXABGPZ-CQSZACIVSA-N 1 0 398.345 2.806 20 0 GFADRO CCc1nocc1C[NH2+]CCCNC(=O)c1cc(OC)ccc1Br ZINC000559266217 564928557 /nfs/dbraw/zinc/92/85/57/564928557.db2.gz YEBRBOHKAHKARM-UHFFFAOYSA-N 1 0 396.285 2.918 20 0 GFADRO Cc1[nH]nc2ncc(C[NH2+]CCCS(=O)(=O)c3ccc(Cl)cc3)cc12 ZINC000559359048 564931345 /nfs/dbraw/zinc/93/13/45/564931345.db2.gz OBIZYMMZEZHOBG-UHFFFAOYSA-N 1 0 378.885 2.873 20 0 GFADRO C[C@H](NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ncc(Br)cn1 ZINC000559377216 564932246 /nfs/dbraw/zinc/93/22/46/564932246.db2.gz OOSJMSNJAXDOPO-HLVVYCRESA-N 1 0 382.306 2.615 20 0 GFADRO CS(=O)(=O)CC1(C[NH2+]C2(Cc3ccc(F)cc3Cl)CCOCC2)CC1 ZINC000559410964 564933076 /nfs/dbraw/zinc/93/30/76/564933076.db2.gz ZFRRGARWDCSNIK-UHFFFAOYSA-N 1 0 389.920 2.985 20 0 GFADRO C[C@H]1C[C@@H](NC(=O)C(=O)Nc2ccc(Cl)c(Br)c2)CC[N@@H+]1C ZINC000532297198 564933896 /nfs/dbraw/zinc/93/38/96/564933896.db2.gz GGOCWDBLCHWQIA-ONGXEEELSA-N 1 0 388.693 2.640 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)N[C@H]2CCN(c3ccc(Br)cc3)C2)CC[N@@H+]1C ZINC000465929110 564933834 /nfs/dbraw/zinc/93/38/34/564933834.db2.gz HGOVUKWIODWYIC-KBMXLJTQSA-N 1 0 395.345 2.810 20 0 GFADRO COc1cc(C[C@H](CO)C[NH2+]Cc2cncc(Br)c2)cc(OC)c1 ZINC000466370552 564939210 /nfs/dbraw/zinc/93/92/10/564939210.db2.gz PQRAJQAJRZOTAN-HNNXBMFYSA-N 1 0 395.297 2.802 20 0 GFADRO Cn1nc(-c2ccc(Cl)s2)cc1NC(=O)NCCNc1cc[nH+]cc1 ZINC000500009148 564942592 /nfs/dbraw/zinc/94/25/92/564942592.db2.gz ZETAJSMXBSHWBV-UHFFFAOYSA-N 1 0 376.873 2.853 20 0 GFADRO CC(C)CNC(=O)NC(=O)C[NH2+]C(C)(C)Cc1ccc(Br)cc1 ZINC000532716523 564943138 /nfs/dbraw/zinc/94/31/38/564943138.db2.gz ZTBRJWBMKYXFIA-UHFFFAOYSA-N 1 0 384.318 2.842 20 0 GFADRO C[C@H](CNC(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C)Oc1ccc(Br)cc1 ZINC000466550391 564943396 /nfs/dbraw/zinc/94/33/96/564943396.db2.gz JBIYNOSVCFRGSV-PBFPGSCMSA-N 1 0 396.329 2.998 20 0 GFADRO Oc1ccc2c(c1)C[N@H+](C[C@H](O)COc1ccc(Br)cc1)CC2 ZINC000532730365 564943540 /nfs/dbraw/zinc/94/35/40/564943540.db2.gz QQQMNKFCRTYRCE-KRWDZBQOSA-N 1 0 378.266 2.953 20 0 GFADRO CN(C(=O)c1cccc(F)c1I)[C@H]1C[NH+]2CCC1CC2 ZINC000532754266 564944104 /nfs/dbraw/zinc/94/41/04/564944104.db2.gz ITNULKVQIGUYTM-ZDUSSCGKSA-N 1 0 388.224 2.597 20 0 GFADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)Nc1cc(Br)cc(OC)c1 ZINC000500077962 564944504 /nfs/dbraw/zinc/94/45/04/564944504.db2.gz BHLAGFYLMKRAQC-CQSZACIVSA-N 1 0 386.290 2.690 20 0 GFADRO C[C@@H]1CN(C(=O)Nc2cc(Cl)c(Cl)cn2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000466661551 564944764 /nfs/dbraw/zinc/94/47/64/564944764.db2.gz SGUGPYZQCFAEBY-IUODEOHRSA-N 1 0 386.327 2.878 20 0 GFADRO NS(=O)(=O)CCC[NH+]1CCC(F)(c2ccccc2OC(F)(F)F)CC1 ZINC000500132638 564946251 /nfs/dbraw/zinc/94/62/51/564946251.db2.gz NRTLPMPYAKJENF-UHFFFAOYSA-N 1 0 384.395 2.524 20 0 GFADRO CC[C@H]1CCC[N@@H+]1CCC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1Cl ZINC000532965291 564951063 /nfs/dbraw/zinc/95/10/63/564951063.db2.gz IVYDKBUDVSSVBO-ZDUSSCGKSA-N 1 0 387.933 2.793 20 0 GFADRO C[C@@H]1CCNC(=O)[C@H]1[NH2+]Cc1ccc(I)cc1Cl ZINC000500376046 564951923 /nfs/dbraw/zinc/95/19/23/564951923.db2.gz KDDKKXWJKHOOCS-PELKAZGASA-N 1 0 378.641 2.559 20 0 GFADRO C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000467019817 564952451 /nfs/dbraw/zinc/95/24/51/564952451.db2.gz DEQXAFQVWLVEPD-PGUXBMHVSA-N 1 0 384.307 2.711 20 0 GFADRO CCC(=O)N[C@@H]1CCC[N@H+](C[C@@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000500468494 564954607 /nfs/dbraw/zinc/95/46/07/564954607.db2.gz CPRJWNYUAPYCJF-CHWSQXEVSA-N 1 0 375.296 2.724 20 0 GFADRO CCN(CCC[NH+](C)C)C(=O)C(=O)Nc1cc(C)c(Br)cc1F ZINC000500453770 564954637 /nfs/dbraw/zinc/95/46/37/564954637.db2.gz CDQXRRXXIKPQMA-UHFFFAOYSA-N 1 0 388.281 2.635 20 0 GFADRO COC(=O)c1ccc(C[N@@H+]2CCC[C@H](Cn3ccnn3)C2)c(Br)c1 ZINC000560260930 564955243 /nfs/dbraw/zinc/95/52/43/564955243.db2.gz FAQLCGGBSKQZLQ-ZDUSSCGKSA-N 1 0 393.285 2.739 20 0 GFADRO C[NH+](C)C[C@](C)(O)CNC(=O)c1[nH]c2ccc(Br)cc2c1Cl ZINC000533111042 564955467 /nfs/dbraw/zinc/95/54/67/564955467.db2.gz PQLIBTYOYJRXDN-OAHLLOKOSA-N 1 0 388.693 2.626 20 0 GFADRO Cc1cc(Br)ccc1C[NH2+][C@@H]1CCC[C@@H]1CNS(C)(=O)=O ZINC000500542780 564956900 /nfs/dbraw/zinc/95/69/00/564956900.db2.gz ASBDKVRNDIQNNE-UKRRQHHQSA-N 1 0 375.332 2.565 20 0 GFADRO C[N@H+](CC[C@@H]1CCCO1)CC(=O)Nc1ccc(I)cc1 ZINC000467135417 564957140 /nfs/dbraw/zinc/95/71/40/564957140.db2.gz ATOOGORJABWFAU-AWEZNQCLSA-N 1 0 388.249 2.731 20 0 GFADRO CCOc1c(Cl)cc(C[NH2+][C@H]2CCC[C@@H]2CNS(C)(=O)=O)cc1OC ZINC000500571361 564957147 /nfs/dbraw/zinc/95/71/47/564957147.db2.gz OKMHOVDJAKOGBH-HIFRSBDPSA-N 1 0 390.933 2.555 20 0 GFADRO CSc1ncc(Cl)c(C(=O)N2CC[C@@H](OCC[NH+]3CCCCC3)C2)n1 ZINC000533183550 564957859 /nfs/dbraw/zinc/95/78/59/564957859.db2.gz WVBWUNHZHRSGJP-CYBMUJFWSA-N 1 0 384.933 2.569 20 0 GFADRO C[N@H+](CC(=O)N1CCOC[C@H]1c1nc2ccccc2s1)[C@H]1CCSC1 ZINC000500673909 564960094 /nfs/dbraw/zinc/96/00/94/564960094.db2.gz AFWCWXVEVWLUFB-ZFWWWQNUSA-N 1 0 377.535 2.634 20 0 GFADRO C[C@H]1CC[N@H+](CCNC(=O)c2cc(I)c(F)cc2F)C1 ZINC000533405162 564962106 /nfs/dbraw/zinc/96/21/06/564962106.db2.gz VQBWKBFEGSORTJ-VIFPVBQESA-N 1 0 394.203 2.641 20 0 GFADRO C[C@@H](CNC(=O)c1cc(I)c(F)cc1F)[NH+]1CCCC1 ZINC000533404163 564962215 /nfs/dbraw/zinc/96/22/15/564962215.db2.gz KAGAGOJZRCABCL-VIFPVBQESA-N 1 0 394.203 2.784 20 0 GFADRO Brc1cc(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cnc1N1CCOCC1 ZINC000467442853 564963180 /nfs/dbraw/zinc/96/31/80/564963180.db2.gz IHUPNDUTWRVPQG-HIFRSBDPSA-N 1 0 381.318 2.719 20 0 GFADRO CC(C)[N@@H+]1CC[C@H](CNC(=O)c2cccc(F)c2I)C1 ZINC000533541256 564965069 /nfs/dbraw/zinc/96/50/69/564965069.db2.gz XLCZXLCZHJOTMS-LLVKDONJSA-N 1 0 390.240 2.890 20 0 GFADRO CN(C(=O)c1cccc(F)c1I)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000533528304 564965283 /nfs/dbraw/zinc/96/52/83/564965283.db2.gz VGNBVYMWDQFNDU-NSHDSACASA-N 1 0 388.224 2.739 20 0 GFADRO C[N@@H+]1CCC[C@@H](CNC(=O)c2cc(Br)cnc2OCC2CC2)C1 ZINC000560493821 564965582 /nfs/dbraw/zinc/96/55/82/564965582.db2.gz XRJJLOLWMWBREX-ZDUSSCGKSA-N 1 0 382.302 2.705 20 0 GFADRO O=C(Nc1cccc(C[N@H+]2CC[C@@H](O)C2)c1)c1cncc(Br)c1 ZINC000560676960 564971519 /nfs/dbraw/zinc/97/15/19/564971519.db2.gz STBCIOZTSSYNSU-MRXNPFEDSA-N 1 0 376.254 2.663 20 0 GFADRO C[NH+](C)CCCC1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cn2)CC1 ZINC000501164598 564972916 /nfs/dbraw/zinc/97/29/16/564972916.db2.gz ORTVHFKHUNQFSA-UHFFFAOYSA-N 1 0 379.448 2.843 20 0 GFADRO C[N@H+](CC1CC1)C[C@H]1CCN(S(=O)(=O)c2sccc2Br)C1 ZINC000467797223 564973594 /nfs/dbraw/zinc/97/35/94/564973594.db2.gz IARIUSYZZRQUMI-GFCCVEGCSA-N 1 0 393.372 2.863 20 0 GFADRO C[NH+]1CCN(c2ccc(Br)cc2NC(=O)[C@@H]2CCCCO2)CC1 ZINC000501229233 564974175 /nfs/dbraw/zinc/97/41/75/564974175.db2.gz SBWXOCWXIPDOHE-INIZCTEOSA-N 1 0 382.302 2.709 20 0 GFADRO CCc1n[nH]c(C(=O)NC[C@H](C)[N@@H+]2CCc3ccccc3C2)c1Br ZINC000468255773 564981251 /nfs/dbraw/zinc/98/12/51/564981251.db2.gz AFGPFGHCOLCQHD-LBPRGKRZSA-N 1 0 391.313 2.911 20 0 GFADRO CS[C@H]1CN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)C[C@@H]1[NH+](C)C ZINC000534172432 564981408 /nfs/dbraw/zinc/98/14/08/564981408.db2.gz ZIXMBCCYUFSLRA-KBPBESRZSA-N 1 0 383.366 2.801 20 0 GFADRO COC(=O)CN1CCC([NH2+][C@@H](C)[C@@H](OC)c2ccc(Br)cc2)CC1 ZINC000468510675 564984940 /nfs/dbraw/zinc/98/49/40/564984940.db2.gz NJDUFVGSBDPDNM-SCLBCKFNSA-N 1 0 399.329 2.752 20 0 GFADRO O=C(NCc1cc(Br)cc2c1OCC2)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000561185909 564986856 /nfs/dbraw/zinc/98/68/56/564986856.db2.gz MEMPYIDNFLWHMP-GOSISDBHSA-N 1 0 394.313 2.669 20 0 GFADRO COc1cc(C[N@H+](C)C2CCOCC2)cc(I)c1OC ZINC000534345690 564986918 /nfs/dbraw/zinc/98/69/18/564986918.db2.gz LQAIPZKOQUJBJH-UHFFFAOYSA-N 1 0 391.249 2.919 20 0 GFADRO CS[C@H]1CN(C(=O)c2nn(-c3ccccc3Cl)cc2C)C[C@@H]1[NH+](C)C ZINC000501867257 564987302 /nfs/dbraw/zinc/98/73/02/564987302.db2.gz NXZWZDJRFSJAQT-HOTGVXAUSA-N 1 0 378.929 2.952 20 0 GFADRO CS[C@@H]1CN(C(=O)c2nn(-c3ccccc3Cl)cc2C)C[C@@H]1[NH+](C)C ZINC000501867259 564987370 /nfs/dbraw/zinc/98/73/70/564987370.db2.gz NXZWZDJRFSJAQT-JKSUJKDBSA-N 1 0 378.929 2.952 20 0 GFADRO Cc1csc(C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)c1I ZINC000468607828 564987925 /nfs/dbraw/zinc/98/79/25/564987925.db2.gz DIQWGYKIWUQCQS-SECBINFHSA-N 1 0 376.263 2.628 20 0 GFADRO O=C(NCCCc1ccc(Br)cc1F)NCCNc1cc[nH+]cc1 ZINC000534525890 564990774 /nfs/dbraw/zinc/99/07/74/564990774.db2.gz LXQPMTDFWYPRGJ-UHFFFAOYSA-N 1 0 395.276 2.749 20 0 GFADRO COC(=O)c1sc2nc(C)nc(N3C[C@@H](SC)[C@@H]([NH+](C)C)C3)c2c1C ZINC000502142813 564992647 /nfs/dbraw/zinc/99/26/47/564992647.db2.gz NHBUEISOVGZRNM-NWDGAFQWSA-N 1 0 380.539 2.577 20 0 GFADRO CC[NH+]1CCC(CNC(=O)c2cc(=O)c3cc(Br)ccc3[nH]2)CC1 ZINC000561493540 564996935 /nfs/dbraw/zinc/99/69/35/564996935.db2.gz CYEQINXZKARGGC-UHFFFAOYSA-N 1 0 392.297 2.752 20 0 GFADRO CCn1cc(S(=O)(=O)N(CC[NH+](C)C)Cc2cccc(Cl)c2)nc1C ZINC000502422073 564997783 /nfs/dbraw/zinc/99/77/83/564997783.db2.gz UPFVOVXKFPRWQA-UHFFFAOYSA-N 1 0 384.933 2.617 20 0 GFADRO C[C@@H]1C[C@@H](N(C)S(=O)(=O)Cc2ccccc2Br)CC[N@@H+]1C ZINC000561518730 564998544 /nfs/dbraw/zinc/99/85/44/564998544.db2.gz BGDALRWTKTVFJT-OCCSQVGLSA-N 1 0 375.332 2.693 20 0 GFADRO COC1CC[NH+](C2(CNC(=O)c3cc(Br)cn3C)CCCC2)CC1 ZINC000502474346 564999679 /nfs/dbraw/zinc/99/96/79/564999679.db2.gz GDIJSOWYZORCLS-UHFFFAOYSA-N 1 0 398.345 2.941 20 0 GFADRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1S(=O)(=O)Cc1ccccc1Br ZINC000561543678 565000603 /nfs/dbraw/zinc/00/06/03/565000603.db2.gz NSAOLDCLVLSGIR-UKRRQHHQSA-N 1 0 387.343 2.838 20 0 GFADRO C[C@@H](C[NH+](C)C)NS(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCCCO1 ZINC000561547371 565001097 /nfs/dbraw/zinc/00/10/97/565001097.db2.gz QFAIWIHWYBATCL-DZGCQCFKSA-N 1 0 390.933 2.516 20 0 GFADRO C[NH+]1CCN(c2ccc(Br)cc2NC(=O)[C@@H]2[C@H]3CCCO[C@H]32)CC1 ZINC000502546625 565001243 /nfs/dbraw/zinc/00/12/43/565001243.db2.gz PNZQRBZHKMGKCY-KBRIMQKVSA-N 1 0 394.313 2.564 20 0 GFADRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1S(=O)(=O)N(C)Cc1c(F)cccc1Cl ZINC000561552539 565001334 /nfs/dbraw/zinc/00/13/34/565001334.db2.gz WDPCBSMHJFDRID-CXAGYDPISA-N 1 0 389.924 2.714 20 0 GFADRO O=C(NC1CC[NH+](CC2CCCC2)CC1)c1cc[nH]c(=O)c1Br ZINC000468982274 565001728 /nfs/dbraw/zinc/00/17/28/565001728.db2.gz OZZAALITHJYJGU-UHFFFAOYSA-N 1 0 382.302 2.934 20 0 GFADRO CCN(CC[NH+]1CCCCCC1)S(=O)(=O)c1cccnc1C(F)(F)F ZINC000561564096 565002947 /nfs/dbraw/zinc/00/29/47/565002947.db2.gz IMPGRUXSIHGZHL-UHFFFAOYSA-N 1 0 379.448 2.987 20 0 GFADRO CCC[NH+]1CCC(CNS(=O)(=O)c2cccc(Br)c2)CC1 ZINC000502691193 565003627 /nfs/dbraw/zinc/00/36/27/565003627.db2.gz PMFBCHYRDWGMOY-UHFFFAOYSA-N 1 0 375.332 2.849 20 0 GFADRO C[C@H]1CC[N@H+](C)CCN1C(=O)c1cn(-c2ccc(Br)cc2)cn1 ZINC000535157974 565006298 /nfs/dbraw/zinc/00/62/98/565006298.db2.gz SAUVJBFHDBJPMR-ZDUSSCGKSA-N 1 0 377.286 2.801 20 0 GFADRO CC(C)[C@@H](Oc1ccccc1Br)C(=O)NCCNc1cc[nH+]cc1 ZINC000535258071 565008704 /nfs/dbraw/zinc/00/87/04/565008704.db2.gz MFCHKURYQDRHAP-QGZVFWFLSA-N 1 0 392.297 2.898 20 0 GFADRO CC[NH+](CC)CCSCC(=O)N[C@H]1CC(=O)N(c2ccccc2Cl)C1 ZINC000469203757 565009148 /nfs/dbraw/zinc/00/91/48/565009148.db2.gz HVVJJLGXZXWZLU-AWEZNQCLSA-N 1 0 383.945 2.637 20 0 GFADRO C[C@H]1CC[N@H+](C)CCN1C(=O)N[C@H]1CCN(c2ccccc2Br)C1 ZINC000502981457 565010141 /nfs/dbraw/zinc/01/01/41/565010141.db2.gz JHBHPLUABKPMAM-GJZGRUSLSA-N 1 0 395.345 2.763 20 0 GFADRO CC(=O)NCC[N@@H+](Cc1ccc(Br)s1)CC1CCOCC1 ZINC000503194177 565012878 /nfs/dbraw/zinc/01/28/78/565012878.db2.gz MCKASMBQWIODHK-UHFFFAOYSA-N 1 0 375.332 2.875 20 0 GFADRO CC[C@@H]1C[N@H+](C[C@H](O)COc2ccc(Cl)cc2Br)C[C@H]1O ZINC000535575057 565016146 /nfs/dbraw/zinc/01/61/46/565016146.db2.gz MBBRFTFWICBWHY-SCDSUCTJSA-N 1 0 378.694 2.545 20 0 GFADRO O=S1(=O)CCCN1[C@H]1CCC[N@@H+](CCn2ccc3cc(Cl)ccc32)C1 ZINC000562068120 565017149 /nfs/dbraw/zinc/01/71/49/565017149.db2.gz IKWYORWELPRWBT-KRWDZBQOSA-N 1 0 381.929 2.795 20 0 GFADRO Cc1ccc(Br)c(NC(=O)C(=O)NC[C@@H]2CC[N@@H+](C(C)C)C2)c1 ZINC000535626272 565017285 /nfs/dbraw/zinc/01/72/85/565017285.db2.gz IZTXIDMWDIVFED-ZDUSSCGKSA-N 1 0 382.302 2.543 20 0 GFADRO CS[C@H]1CN(CC(=O)Nc2ccc(Br)c(C)c2)C[C@@H]1[NH+](C)C ZINC000535666304 565017990 /nfs/dbraw/zinc/01/79/90/565017990.db2.gz RFIIATDGOKVIOV-GJZGRUSLSA-N 1 0 386.359 2.673 20 0 GFADRO CC[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2CC(=O)Nc3ccc(Br)cc32)C1 ZINC000469477663 565018330 /nfs/dbraw/zinc/01/83/30/565018330.db2.gz IVGOWOXPCSXNCA-DOMZBBRYSA-N 1 0 394.313 2.675 20 0 GFADRO CNS(=O)(=O)CCC[NH+]1CCC(c2ccc(Br)cc2)CC1 ZINC000503380389 565018583 /nfs/dbraw/zinc/01/85/83/565018583.db2.gz UMEODGVKCQCYEZ-UHFFFAOYSA-N 1 0 375.332 2.568 20 0 GFADRO Cc1nc(SCC(=O)Nc2ccc(CN(C)C)c(Br)c2)n[nH]1 ZINC000469493698 565018855 /nfs/dbraw/zinc/01/88/55/565018855.db2.gz JHLXKDJXEFVMTR-UHFFFAOYSA-N 1 0 384.303 2.668 20 0 GFADRO CC[NH+](CC)[C@H]1CCN(C(=O)[C@H]2CC(=O)Nc3ccc(Br)cc32)C1 ZINC000469502080 565019383 /nfs/dbraw/zinc/01/93/83/565019383.db2.gz SRGJCRQMRIYMDO-ZFWWWQNUSA-N 1 0 394.313 2.818 20 0 GFADRO CCC[N@H+](CC)CCNC(=O)[C@H]1CC(=O)Nc2ccc(Br)cc21 ZINC000469547039 565019944 /nfs/dbraw/zinc/01/99/44/565019944.db2.gz LEBCXRFCOOKSNO-AWEZNQCLSA-N 1 0 382.302 2.723 20 0 GFADRO CC(C)[N@@H+]1CCO[C@H](C(=O)NCCCOc2ccc(Cl)cc2Cl)C1 ZINC000469626257 565023155 /nfs/dbraw/zinc/02/31/55/565023155.db2.gz XDGCYKSCRCNIDL-INIZCTEOSA-N 1 0 375.296 2.988 20 0 GFADRO O=C(NCCC[NH+]1CCCC1)c1cn(-c2ccc(Br)cc2)cn1 ZINC000535904703 565024454 /nfs/dbraw/zinc/02/44/54/565024454.db2.gz HBGJFGJTHJEGOC-UHFFFAOYSA-N 1 0 377.286 2.851 20 0 GFADRO C[C@H](NC(=O)NCC1(C[NH+](C)C)CCCC1)c1ncc(Br)cn1 ZINC000562401741 565028390 /nfs/dbraw/zinc/02/83/90/565028390.db2.gz XARRGPFCDZCSNB-LBPRGKRZSA-N 1 0 384.322 2.721 20 0 GFADRO Cc1csc(C(=O)N[C@@H]2CCC[N@H+](C)[C@H]2C)c1I ZINC000469821464 565028686 /nfs/dbraw/zinc/02/86/86/565028686.db2.gz NWUNSVAWXOBPFT-VHSXEESVSA-N 1 0 378.279 2.874 20 0 GFADRO Cc1c(Cl)cccc1NC(=O)CNC(=O)C[N@@H+]1CCSC(C)(C)CC1 ZINC000562450659 565029493 /nfs/dbraw/zinc/02/94/93/565029493.db2.gz HDQGZWFBJCBOOU-UHFFFAOYSA-N 1 0 383.945 2.921 20 0 GFADRO COC(=O)[C@]1(C)CC[N@@H+]([C@H](C)C(=O)Nc2ccc(Br)c(C)c2)C1 ZINC000470012193 565035567 /nfs/dbraw/zinc/03/55/67/565035567.db2.gz FJEAOJUAPFCGNA-SJKOYZFVSA-N 1 0 383.286 2.970 20 0 GFADRO CCCOc1ccc(Br)cc1CN1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000470024117 565035628 /nfs/dbraw/zinc/03/56/28/565035628.db2.gz INHPZFVHWWVFRD-AWEZNQCLSA-N 1 0 398.345 2.525 20 0 GFADRO CC(C)[NH+](CCN(C)C(=O)CNC(=O)c1cccc(Br)c1)C(C)C ZINC000504122271 565035824 /nfs/dbraw/zinc/03/58/24/565035824.db2.gz IOMNZJICJMFJEJ-UHFFFAOYSA-N 1 0 398.345 2.756 20 0 GFADRO C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N1CCC[N@@H+]([C@H](C)CO)CC1 ZINC000470063711 565036418 /nfs/dbraw/zinc/03/64/18/565036418.db2.gz AAJLUVHPSRQNPT-CHWSQXEVSA-N 1 0 375.296 2.676 20 0 GFADRO C[C@H](CO)[N@@H+]1CCCN(C(=O)c2ccc(Cl)c(Br)c2)CC1 ZINC000470060299 565036443 /nfs/dbraw/zinc/03/64/43/565036443.db2.gz YERRJJRMUDMSEF-LLVKDONJSA-N 1 0 375.694 2.631 20 0 GFADRO C[C@H](CO)[N@@H+]1CCCN(C(=O)COc2cc(Cl)c(Cl)cc2Cl)CC1 ZINC000470086491 565038224 /nfs/dbraw/zinc/03/82/24/565038224.db2.gz IODZEPSOIRXHNP-LLVKDONJSA-N 1 0 395.714 2.941 20 0 GFADRO C[N@@H+]1CCC[C@@H](CCNC(=O)C[C@H]2Sc3ccc(Cl)cc3NC2=O)C1 ZINC000562660843 565038452 /nfs/dbraw/zinc/03/84/52/565038452.db2.gz RBVRWXBDKBISNY-BLLLJJGKSA-N 1 0 381.929 2.991 20 0 GFADRO CC1(C)CCC[N@H+](CCNC(=O)c2cncc(I)c2)C1 ZINC000470277779 565042482 /nfs/dbraw/zinc/04/24/82/565042482.db2.gz MKEHWYRPKBWXHS-UHFFFAOYSA-N 1 0 387.265 2.538 20 0 GFADRO C[N@H+](CCNC(=O)N[C@@H](CO)c1ccc(Br)cc1)C1CCCC1 ZINC000504673285 565042755 /nfs/dbraw/zinc/04/27/55/565042755.db2.gz LCJVVSYKMXVJDK-INIZCTEOSA-N 1 0 384.318 2.656 20 0 GFADRO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)c1nn(C)cc1Br)[NH+](C)C ZINC000504991722 565047985 /nfs/dbraw/zinc/04/79/85/565047985.db2.gz NUWKHJGFLAIJFP-MLGOLLRUSA-N 1 0 379.302 2.912 20 0 GFADRO C[C@@H]([NH2+]CCS(=O)(=O)NC[C@@H]1CCCCO1)c1cc2c(s1)CCCC2 ZINC000536864868 565048251 /nfs/dbraw/zinc/04/82/51/565048251.db2.gz QSAVMPOOCMAYSO-ZBFHGGJFSA-N 1 0 386.583 2.766 20 0 GFADRO Cc1nc(-c2ccccc2F)sc1[C@H](C)[NH2+]C[C@H]1CS(=O)(=O)CCO1 ZINC000536841943 565048278 /nfs/dbraw/zinc/04/82/78/565048278.db2.gz ZIKWYMREBRNGRY-AAEUAGOBSA-N 1 0 384.498 2.722 20 0 GFADRO C[C@H]([NH2+][C@H]1CCN(c2cnn(C)c2)C1=O)c1ccc(Br)c(F)c1 ZINC000536857384 565048442 /nfs/dbraw/zinc/04/84/42/565048442.db2.gz KPQBXYSZYVBLGR-BONVTDFDSA-N 1 0 381.249 2.778 20 0 GFADRO CC[NH+](CC)CC(=O)N[C@@](C)(CC(=O)OC)c1ccc(Br)cc1 ZINC000505107096 565048569 /nfs/dbraw/zinc/04/85/69/565048569.db2.gz GNUGJMQNEGOPAV-KRWDZBQOSA-N 1 0 385.302 2.685 20 0 GFADRO CO[C@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)NC[C@H]1CCC[N@@H+]1C ZINC000536924211 565049887 /nfs/dbraw/zinc/04/98/87/565049887.db2.gz DILYHNLQOMGVGK-WQVCFCJDSA-N 1 0 384.318 2.919 20 0 GFADRO C[C@H]1CSc2ccc(Br)cc2[C@H]1NC(=O)CCOC1C[NH2+]C1 ZINC000562971637 565050191 /nfs/dbraw/zinc/05/01/91/565050191.db2.gz VVZXTGDTWPKSKU-QFYYESIMSA-N 1 0 385.327 2.727 20 0 GFADRO Cc1csc(C(=O)N2CC[C@]3(C2)CCC[NH2+]C3)c1I ZINC000562979227 565050694 /nfs/dbraw/zinc/05/06/94/565050694.db2.gz WWXVYKIZJZZZNK-CQSZACIVSA-N 1 0 390.290 2.877 20 0 GFADRO CC(C)OCC[C@H](O)C[NH2+][C@@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000563003463 565051471 /nfs/dbraw/zinc/05/14/71/565051471.db2.gz UELIHLQYQYSVMX-DZGCQCFKSA-N 1 0 375.296 2.864 20 0 GFADRO COc1ncc(C(=O)N[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)cc1Br ZINC000563009102 565051973 /nfs/dbraw/zinc/05/19/73/565051973.db2.gz BOTSZTQWGJOMQE-ZBFHGGJFSA-N 1 0 390.281 2.680 20 0 GFADRO COCC[N@@H+]1CC[C@H](NC(=O)NCc2cc(Cl)ccc2Br)C1 ZINC000563036979 565052577 /nfs/dbraw/zinc/05/25/77/565052577.db2.gz SYBDQHHZOMGPPF-ZDUSSCGKSA-N 1 0 390.709 2.622 20 0 GFADRO C[NH2+][C@H](C(=O)N1CCC(c2ccc(Br)cc2)CC1)c1cnn(C)c1 ZINC000563097933 565055293 /nfs/dbraw/zinc/05/52/93/565055293.db2.gz JDUARMYEVWEJBD-KRWDZBQOSA-N 1 0 391.313 2.849 20 0 GFADRO CCC[NH+]1CCC(NS(=O)(=O)Cc2ccc(Br)cc2)CC1 ZINC000470759954 565055639 /nfs/dbraw/zinc/05/56/39/565055639.db2.gz LSDRAVMUGZZDCN-UHFFFAOYSA-N 1 0 375.332 2.743 20 0 GFADRO C[C@H]1C[C@@H](NC(=O)Nc2ccc(S(C)(=O)=O)c(C(F)F)c2)CC[N@@H+]1C ZINC000537228957 565055831 /nfs/dbraw/zinc/05/58/31/565055831.db2.gz FZFDIANHYNNUNR-JQWIXIFHSA-N 1 0 375.441 2.632 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000563107175 565055967 /nfs/dbraw/zinc/05/59/67/565055967.db2.gz ACYQXDMCIRQPGW-BZNIZROVSA-N 1 0 377.286 2.671 20 0 GFADRO [NH3+]C[C@H]1CCCN(S(=O)(=O)c2ccc3ccccc3c2Br)C1 ZINC000563119619 565056381 /nfs/dbraw/zinc/05/63/81/565056381.db2.gz WZOKTNSHJLHCJA-GFCCVEGCSA-N 1 0 383.311 2.962 20 0 GFADRO C[C@@H]([NH3+])C[C@H](C)NS(=O)(=O)c1cc(C(F)(F)F)ccc1Br ZINC000563124543 565056419 /nfs/dbraw/zinc/05/64/19/565056419.db2.gz GJHYDFSIFDQDMM-SFYZADRCSA-N 1 0 389.237 2.872 20 0 GFADRO CC(C)[N@@H+]1CC[C@H](CNC(=O)N[C@H](CO)c2cccc(Br)c2)C1 ZINC000537608234 565060279 /nfs/dbraw/zinc/06/02/79/565060279.db2.gz AGPBTIVRQJXYNO-CZUORRHYSA-N 1 0 384.318 2.512 20 0 GFADRO CC[NH+](CC)CC[C@H](CO)NC(=O)c1cccc(Br)c1Cl ZINC000537718262 565062100 /nfs/dbraw/zinc/06/21/00/565062100.db2.gz GUPAMEWBZCGWJC-LLVKDONJSA-N 1 0 377.710 2.925 20 0 GFADRO C[C@@H]1[NH2+]CC[C@H]1C(=O)NC1CCN(Cc2ccc(Br)cc2)CC1 ZINC000584349439 565077292 /nfs/dbraw/zinc/07/72/92/565077292.db2.gz VBZITOXPZLVCOO-SUMWQHHRSA-N 1 0 380.330 2.528 20 0 GFADRO CC[NH+](CC)CC[C@@H](CO)NC(=O)Cc1c[nH]c2cccc(Br)c12 ZINC000584377192 565078463 /nfs/dbraw/zinc/07/84/63/565078463.db2.gz DEMUGFLDNILBSY-AWEZNQCLSA-N 1 0 396.329 2.682 20 0 GFADRO Cc1c(F)c(Br)ccc1C(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C ZINC000613764858 565079724 /nfs/dbraw/zinc/07/97/24/565079724.db2.gz DTGQSHWUUGWBIP-NSHDSACASA-N 1 0 387.293 2.814 20 0 GFADRO CN(CC1([NH+](C)C)CCC1)C(=O)c1cc(Br)cc2c1OCCO2 ZINC000613800393 565081289 /nfs/dbraw/zinc/08/12/89/565081289.db2.gz YJEJMBYHZGJXBD-UHFFFAOYSA-N 1 0 383.286 2.777 20 0 GFADRO O=C(N[C@H]1C[C@@H]([NH+]2CCCC2)C1)c1cnnn1-c1c(Cl)cccc1Cl ZINC000636102390 565090201 /nfs/dbraw/zinc/09/02/01/565090201.db2.gz VNTLHPPGKIMGDX-TXEJJXNPSA-N 1 0 380.279 2.931 20 0 GFADRO CC[NH+]1CCC(CNC(=O)C(=O)N(C)Cc2c(Cl)cccc2Cl)CC1 ZINC000584670139 565090390 /nfs/dbraw/zinc/09/03/90/565090390.db2.gz MLMUBXVGOKDTTB-UHFFFAOYSA-N 1 0 386.323 2.800 20 0 GFADRO O=C(C[C@H]1CCCS1(=O)=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000636122093 565091827 /nfs/dbraw/zinc/09/18/27/565091827.db2.gz BTBZPWBANYEUQC-QGZVFWFLSA-N 1 0 382.551 2.780 20 0 GFADRO C[N@@H+]1CCC[C@H](CCNC(=O)c2cc(=O)c3cc(Br)ccc3[nH]2)C1 ZINC000584705340 565093569 /nfs/dbraw/zinc/09/35/69/565093569.db2.gz JXEKJGKZZSSMKK-GFCCVEGCSA-N 1 0 392.297 2.752 20 0 GFADRO O=C1NCCC[C@@H]1C[NH2+]Cc1ccc(OC(F)(F)F)c(Br)c1 ZINC000657282068 565096136 /nfs/dbraw/zinc/09/61/36/565096136.db2.gz DRUDQMISDLNFDT-SNVBAGLBSA-N 1 0 381.192 2.964 20 0 GFADRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)c1cc(Br)cc2[nH]c(=O)[nH]c21 ZINC000614209888 565101030 /nfs/dbraw/zinc/10/10/30/565101030.db2.gz UEOUKVBDOOGXDN-ZDUSSCGKSA-N 1 0 395.301 2.881 20 0 GFADRO CC1(C)C[NH2+]CC[C@H]1NCc1csc(-c2ccc(S(C)(=O)=O)cc2)n1 ZINC000584843231 565102015 /nfs/dbraw/zinc/10/20/15/565102015.db2.gz MWDNTMULMZMAIM-MRXNPFEDSA-N 1 0 379.551 2.691 20 0 GFADRO C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)NCC12CCC[NH+]1CCC2 ZINC000614227679 565102409 /nfs/dbraw/zinc/10/24/09/565102409.db2.gz CCOMKLOHQQVBIM-GFCCVEGCSA-N 1 0 384.307 2.856 20 0 GFADRO OC[C@@H](C[NH2+]Cc1cn(C2CCC2)nn1)Cc1cc(Br)ccc1F ZINC000657483833 565103338 /nfs/dbraw/zinc/10/33/38/565103338.db2.gz PDYHXTWXPPIEOP-GFCCVEGCSA-N 1 0 397.292 2.846 20 0 GFADRO C[NH+](C)CCOc1ccccc1C(=O)NCc1ccncc1Br ZINC000636311845 565105967 /nfs/dbraw/zinc/10/59/67/565105967.db2.gz GYLYFTWLHGTKOQ-UHFFFAOYSA-N 1 0 378.270 2.715 20 0 GFADRO CO[C@H](C[NH2+]Cc1nc(-c2ccc(Br)cc2)c[nH]1)[C@H]1CCOC1 ZINC000657540957 565107377 /nfs/dbraw/zinc/10/73/77/565107377.db2.gz IQJWAVXHVUEHNR-XJKSGUPXSA-N 1 0 380.286 2.980 20 0 GFADRO CC[C@@H]1C[N@H+](C)CCCN1C(=O)c1c2ccc(Br)cc2nn1C ZINC000614330697 565107696 /nfs/dbraw/zinc/10/76/96/565107696.db2.gz MNOIKZPFQJEFQT-CYBMUJFWSA-N 1 0 379.302 2.892 20 0 GFADRO COc1cc(F)cc(C[NH2+]CCNC(=O)c2ccc(Br)cn2)c1 ZINC000657564363 565109108 /nfs/dbraw/zinc/10/91/08/565109108.db2.gz RUBMRNDWRXZRCR-UHFFFAOYSA-N 1 0 382.233 2.511 20 0 GFADRO COc1ccc(C[NH2+][C@H](CO)[C@@H]2CCC[C@H](OC)C2)c(Br)c1O ZINC000657576249 565109768 /nfs/dbraw/zinc/10/97/68/565109768.db2.gz JHJQRQKHPOWGBP-KWCYVHTRSA-N 1 0 388.302 2.819 20 0 GFADRO CC(C)[C@@H](NC(=O)c1ccccc1Br)C(=O)NCC(C)(C)[NH+](C)C ZINC000636422948 565112020 /nfs/dbraw/zinc/11/20/20/565112020.db2.gz MAWOKJRQYOJBRC-OAHLLOKOSA-N 1 0 398.345 2.660 20 0 GFADRO O=C(Cc1sccc1Br)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000614452236 565113438 /nfs/dbraw/zinc/11/34/38/565113438.db2.gz VMURBZBKEKMHCV-ZDUSSCGKSA-N 1 0 387.343 2.766 20 0 GFADRO C[C@@H]1CC[C@H]([NH2+]Cc2cnn(-c3ccc(Br)cc3)c2)CS1(=O)=O ZINC000657639388 565115948 /nfs/dbraw/zinc/11/59/48/565115948.db2.gz SCEQUDGHFKAJED-DOMZBBRYSA-N 1 0 398.326 2.690 20 0 GFADRO Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000685630882 565117773 /nfs/dbraw/zinc/11/77/73/565117773.db2.gz HOWJYYCPZJGRAC-LBPRGKRZSA-N 1 0 378.826 2.951 20 0 GFADRO COC[C@]1(C[NH2+][C@@H](C)Cn2cc(Br)cn2)OCCc2ccccc21 ZINC000685655670 565118897 /nfs/dbraw/zinc/11/88/97/565118897.db2.gz KHXFJLYJRIBQKB-KSSFIOAISA-N 1 0 394.313 2.738 20 0 GFADRO O=C(CCn1cc(Br)cn1)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000614579465 565121117 /nfs/dbraw/zinc/12/11/17/565121117.db2.gz CHKPUBJKWJXPLM-QGZVFWFLSA-N 1 0 391.313 2.989 20 0 GFADRO COc1ccc(C[NH2+]CC(C)(C)[C@@]2(O)CCCOC2)c(Br)c1O ZINC000657764171 565127225 /nfs/dbraw/zinc/12/72/25/565127225.db2.gz DJNKRBPBTNRHQM-QGZVFWFLSA-N 1 0 388.302 2.821 20 0 GFADRO Cc1cc(Br)cnc1NC(=O)c1ccnc(OCC[NH+](C)C)c1 ZINC000637026058 565134423 /nfs/dbraw/zinc/13/44/23/565134423.db2.gz ZPXZKTFZRPOHLN-UHFFFAOYSA-N 1 0 379.258 2.740 20 0 GFADRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1cc(Br)cc2c1OCCO2 ZINC000614834187 565134805 /nfs/dbraw/zinc/13/48/05/565134805.db2.gz IGEXUELGQCAGPM-DOMZBBRYSA-N 1 0 395.297 2.919 20 0 GFADRO C[C@H]([NH2+][C@H]1CCN(c2ccccc2C(N)=O)C1)c1cncc(Br)c1 ZINC000657880306 565135088 /nfs/dbraw/zinc/13/50/88/565135088.db2.gz WATLBCKFIPLVGE-WFASDCNBSA-N 1 0 389.297 2.873 20 0 GFADRO C[C@H](CNS(=O)(=O)c1cc2c(cc1Cl)OCCO2)[N@@H+]1CCCC[C@@H]1C ZINC000588678245 565136926 /nfs/dbraw/zinc/13/69/26/565136926.db2.gz NLVDTLXTSYPTQX-QWHCGFSZSA-N 1 0 388.917 2.652 20 0 GFADRO CCC[NH+]1CCC(NC(=O)CSc2nnc(-c3cccs3)n2C)CC1 ZINC000588705286 565138394 /nfs/dbraw/zinc/13/83/94/565138394.db2.gz KVWSXNICVSSGJP-UHFFFAOYSA-N 1 0 379.555 2.626 20 0 GFADRO CSc1ccc([C@H](CNC(=O)N[C@H](C)[C@H](O)C(F)(F)F)[NH+](C)C)cc1 ZINC000637175412 565143629 /nfs/dbraw/zinc/14/36/29/565143629.db2.gz FPBAQEFWJJQCID-SWHYSGLUSA-N 1 0 379.448 2.622 20 0 GFADRO O=S(=O)(NCC[NH2+][C@H]1COC2(CCC2)C1)c1cccc(Cl)c1Cl ZINC000658009455 565145146 /nfs/dbraw/zinc/14/51/46/565145146.db2.gz CSZMPHYHRAVNHB-LLVKDONJSA-N 1 0 379.309 2.573 20 0 GFADRO CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](Oc2cncc(Br)c2)C1 ZINC000615128181 565147512 /nfs/dbraw/zinc/14/75/12/565147512.db2.gz VPBGQHYLUSJJME-HOCLYGCPSA-N 1 0 382.302 2.698 20 0 GFADRO CCO[C@H]1C[C@H]([NH2+]CCNC(=O)c2ccc(Br)cn2)C12CCC2 ZINC000658092253 565148694 /nfs/dbraw/zinc/14/86/94/565148694.db2.gz LEDTYPCGYLTPJG-GJZGRUSLSA-N 1 0 382.302 2.511 20 0 GFADRO Cc1nc(C)c([C@@H](C)[NH2+]CCNC(=O)c2ccc(Br)cn2)s1 ZINC000658091660 565149298 /nfs/dbraw/zinc/14/92/98/565149298.db2.gz HJNLREFGWWKBEV-SECBINFHSA-N 1 0 383.315 2.998 20 0 GFADRO O=C(NCC[NH2+][C@H]1Cc2ccc(Cl)cc2C1)c1ccc(Br)cn1 ZINC000658091971 565149397 /nfs/dbraw/zinc/14/93/97/565149397.db2.gz KGLDSBRDHQXPCR-HNNXBMFYSA-N 1 0 394.700 2.984 20 0 GFADRO COc1ccccc1C[C@H](C)[NH2+]CCNC(=O)c1ccc(Br)cn1 ZINC000658091983 565149616 /nfs/dbraw/zinc/14/96/16/565149616.db2.gz KIHYHZGSRZFMOY-ZDUSSCGKSA-N 1 0 392.297 2.803 20 0 GFADRO COc1cccc(OC)c1C[NH2+][C@@H](C)Cn1cc(Br)ccc1=O ZINC000658118993 565150853 /nfs/dbraw/zinc/15/08/53/565150853.db2.gz LRJMAXARJYRWAO-LBPRGKRZSA-N 1 0 381.270 2.806 20 0 GFADRO C[C@H]([NH2+]C[C@@H](OC1CCCC1)C(F)(F)F)c1ccc(S(N)(=O)=O)cc1 ZINC000658125438 565151407 /nfs/dbraw/zinc/15/14/07/565151407.db2.gz SZQZEKSKUKDGRI-XHDPSFHLSA-N 1 0 380.432 2.875 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)C(=O)Nc1cc(Br)ccc1F ZINC000658124027 565151816 /nfs/dbraw/zinc/15/18/16/565151816.db2.gz OOEKMQQTVQXEBW-NSHDSACASA-N 1 0 386.265 2.516 20 0 GFADRO OCCO[C@]1(C[NH2+][C@H](c2ccc(Br)cc2F)C2CC2)CCOC1 ZINC000658143277 565153683 /nfs/dbraw/zinc/15/36/83/565153683.db2.gz HBDDCZYRKCMFPX-IRXDYDNUSA-N 1 0 388.277 2.797 20 0 GFADRO C[N@@H+]1CCC[C@@H]1[C@H]1COCCN1C(=O)CCc1cc(Br)ccc1F ZINC000615271898 565155089 /nfs/dbraw/zinc/15/50/89/565155089.db2.gz ZLYLQYPSAOJUGE-IAGOWNOFSA-N 1 0 399.304 2.842 20 0 GFADRO O=S1(=O)CC[C@H]([NH2+][C@H]2C[C@H](O)C23CCC3)c2cc(Br)ccc21 ZINC000658253991 565156170 /nfs/dbraw/zinc/15/61/70/565156170.db2.gz WZRTVEFNCYJJKH-QEJZJMRPSA-N 1 0 386.311 2.561 20 0 GFADRO C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1ccn(-c2ccc(Br)cc2)n1 ZINC000615302806 565156433 /nfs/dbraw/zinc/15/64/33/565156433.db2.gz OQDMNQIELPCGTP-LRDDRELGSA-N 1 0 377.286 2.799 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)c(Br)c1 ZINC000658263436 565156990 /nfs/dbraw/zinc/15/69/90/565156990.db2.gz IVZPSHGORAURMC-CYBMUJFWSA-N 1 0 396.329 2.993 20 0 GFADRO COC(=O)[C@@H](NC(=O)C[NH2+]C(C)(C)c1ccc(Br)cc1)C(C)C ZINC000589255451 565157651 /nfs/dbraw/zinc/15/76/51/565157651.db2.gz BRBCMFIWCHTPEE-HNNXBMFYSA-N 1 0 385.302 2.588 20 0 GFADRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)c3ccc(Br)c(F)c3C)[C@H]2C1 ZINC000615349919 565158370 /nfs/dbraw/zinc/15/83/70/565158370.db2.gz RZPBBALUSZDMNX-LSDHHAIUSA-N 1 0 385.277 2.832 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CCCCN1S(=O)(=O)c1cc(Cl)cc(Br)c1 ZINC000658362938 565161988 /nfs/dbraw/zinc/16/19/88/565161988.db2.gz IQVCDXDDUYOSNG-NOZJJQNGSA-N 1 0 381.723 2.993 20 0 GFADRO CC(C)c1ccc([C@H]([NH3+])CNS(=O)(=O)c2ncccc2Br)cc1 ZINC000658366775 565162168 /nfs/dbraw/zinc/16/21/68/565162168.db2.gz GPTWUVZTAPOXMW-OAHLLOKOSA-N 1 0 398.326 2.946 20 0 GFADRO [NH3+]CC[C@H]1CCCN(S(=O)(=O)c2cc(Cl)ccc2OC(F)(F)F)C1 ZINC000658378521 565164841 /nfs/dbraw/zinc/16/48/41/565164841.db2.gz SAVHNIAWSBPSPS-SNVBAGLBSA-N 1 0 386.823 2.988 20 0 GFADRO O=S(=O)(NCCC[C@@H]1CCC[NH2+]1)c1cc(Cl)cc(Br)c1 ZINC000658381095 565164921 /nfs/dbraw/zinc/16/49/21/565164921.db2.gz SXWNVJQHVOAPBO-LBPRGKRZSA-N 1 0 381.723 2.913 20 0 GFADRO O=S(=O)(NCCC[C@H]1CCC[NH2+]1)c1cc(Cl)cc(Br)c1 ZINC000658381094 565165015 /nfs/dbraw/zinc/16/50/15/565165015.db2.gz SXWNVJQHVOAPBO-GFCCVEGCSA-N 1 0 381.723 2.913 20 0 GFADRO O=S(=O)(c1cnccc1C(F)(F)F)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000658385250 565165798 /nfs/dbraw/zinc/16/57/98/565165798.db2.gz APXAEOHHSWJAHB-ZDUSSCGKSA-N 1 0 377.432 2.501 20 0 GFADRO O=S(=O)(c1ccc(C(F)(F)F)nc1)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000658387225 565167117 /nfs/dbraw/zinc/16/71/17/565167117.db2.gz MABHKLGQPRHHKS-CYBMUJFWSA-N 1 0 377.432 2.501 20 0 GFADRO Cc1cc(Br)c(S(=O)(=O)N[C@H]2CC[NH2+]C3(CCC3)C2)s1 ZINC000658402824 565168119 /nfs/dbraw/zinc/16/81/19/565168119.db2.gz VBXWZRMWZJZLAD-JTQLQIEISA-N 1 0 379.345 2.772 20 0 GFADRO O=C(NCC[C@@H]1CCC[NH2+]C1)N1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000637770996 565171584 /nfs/dbraw/zinc/17/15/84/565171584.db2.gz PLPDRLVVJUZWRG-WMLDXEAASA-N 1 0 396.329 2.922 20 0 GFADRO Cc1ccc(CNC(=O)N2CCC([N@H+](C)CCCO)CC2)cc1Br ZINC000637774962 565173115 /nfs/dbraw/zinc/17/31/15/565173115.db2.gz NHNNSXNUHBDBOF-UHFFFAOYSA-N 1 0 398.345 2.746 20 0 GFADRO COc1ccc(C[N@H+](C)Cc2ccc(S(N)(=O)=O)c(Cl)c2)cc1OC ZINC000637853612 565173878 /nfs/dbraw/zinc/17/38/78/565173878.db2.gz QCXLCBYSLLCHMD-UHFFFAOYSA-N 1 0 384.885 2.637 20 0 GFADRO CCC([NH3+])(CC)CNC(=O)[C@H]1CCC(=O)N1Cc1ccc(Br)cc1 ZINC000637858531 565174434 /nfs/dbraw/zinc/17/44/34/565174434.db2.gz HICUQLGSBLFIAW-OAHLLOKOSA-N 1 0 396.329 2.574 20 0 GFADRO [NH3+]CCCOC1CCN(C(=O)[C@@H]2[C@@H]3Cc4cc(Br)ccc4[C@@H]32)CC1 ZINC000637864238 565174611 /nfs/dbraw/zinc/17/46/11/565174611.db2.gz JTFTVNSAAAVGRY-FGTMMUONSA-N 1 0 393.325 2.691 20 0 GFADRO CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)C1=CC[C@H]([NH3+])C1 ZINC000637882762 565175357 /nfs/dbraw/zinc/17/53/57/565175357.db2.gz YGIWJMZQUDVIHY-JTQLQIEISA-N 1 0 375.778 2.803 20 0 GFADRO O=C(Nc1cccc(Br)c1)c1nnn([C@@H]2CC[NH2+]C2)c1C(F)F ZINC000637869924 565175902 /nfs/dbraw/zinc/17/59/02/565175902.db2.gz TUKUFDYGZBWOAZ-SNVBAGLBSA-N 1 0 386.200 2.765 20 0 GFADRO CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)[C@@]1(C[NH3+])CCCOC1 ZINC000637898402 565176212 /nfs/dbraw/zinc/17/62/12/565176212.db2.gz PEDZAFASCMYPSZ-QGZVFWFLSA-N 1 0 388.295 2.536 20 0 GFADRO C[N@@H+]1C[C@H]2CCN(C(=O)c3ccc(Cl)c(I)c3)[C@H]2C1 ZINC000590046633 565176465 /nfs/dbraw/zinc/17/64/65/565176465.db2.gz LDRTWXRASFLSFV-MFKMUULPSA-N 1 0 390.652 2.721 20 0 GFADRO C[N@@H+]1C[C@@H]2CCN(C(=O)CSCc3ccc(Br)cc3F)[C@@H]2C1 ZINC000590044658 565176748 /nfs/dbraw/zinc/17/67/48/565176748.db2.gz KUQJXYKPKVOEEG-XHDPSFHLSA-N 1 0 387.318 2.984 20 0 GFADRO [NH3+]Cc1ncc(C(=O)N[C@@H](c2ccc(Br)cc2)C2CCC2)cn1 ZINC000637939998 565177069 /nfs/dbraw/zinc/17/70/69/565177069.db2.gz WUBQCSXYWWEBAY-MRXNPFEDSA-N 1 0 375.270 2.969 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NCc2ccc(Cl)c(Cl)c2)[C@H](C)C1 ZINC000658616438 565177801 /nfs/dbraw/zinc/17/78/01/565177801.db2.gz RSOWEQBUERQWDA-WBMJQRKESA-N 1 0 386.323 2.798 20 0 GFADRO CC[NH2+][C@H](C)C(=O)N1CCC(C(=O)Nc2ccccc2Br)CC1 ZINC000637972559 565178980 /nfs/dbraw/zinc/17/89/80/565178980.db2.gz ATNBIAHVMFKLPU-GFCCVEGCSA-N 1 0 382.302 2.624 20 0 GFADRO CC[NH2+][C@H](C)C(=O)N1CCC(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000637968847 565179189 /nfs/dbraw/zinc/17/91/89/565179189.db2.gz HNIOYCBTCHQWJF-GFCCVEGCSA-N 1 0 382.302 2.624 20 0 GFADRO COc1cc(CNC(=O)c2oc(C[NH3+])cc2C)cc(Br)c1OC ZINC000637971190 565179273 /nfs/dbraw/zinc/17/92/73/565179273.db2.gz XKQAHMQIPHSSMS-UHFFFAOYSA-N 1 0 383.242 2.756 20 0 GFADRO COc1ccc([C@@H]2CC[N@H+](Cc3ccc(S(N)(=O)=O)c(Cl)c3)C2)cc1 ZINC000637997770 565180416 /nfs/dbraw/zinc/18/04/16/565180416.db2.gz WKLGHGYSOMSRSB-OAHLLOKOSA-N 1 0 380.897 2.986 20 0 GFADRO O=C(N[C@@H]1CCC[NH2+]C1)N1CCc2[nH]c3ccc(Br)cc3c2C1 ZINC000638006797 565181656 /nfs/dbraw/zinc/18/16/56/565181656.db2.gz JPAFLUAVNHCCAU-GFCCVEGCSA-N 1 0 377.286 2.750 20 0 GFADRO O=C(NC1CC[NH+](C2CCC2)CC1)c1cc(Br)cc2[nH]c(=O)[nH]c21 ZINC000616004178 565182813 /nfs/dbraw/zinc/18/28/13/565182813.db2.gz VQAJQYRIFHGBPP-UHFFFAOYSA-N 1 0 393.285 2.778 20 0 GFADRO Cc1[nH][nH]c(=NC(=O)[C@@H]2CCC[N@H+](CCc3ccccc3)C2)c1Br ZINC000616009669 565184388 /nfs/dbraw/zinc/18/43/88/565184388.db2.gz YRGUXXKCUPMHBT-OAHLLOKOSA-N 1 0 391.313 2.796 20 0 GFADRO [NH3+][C@@H]1CCO[C@@H]1C(=O)Nc1ccc(Oc2cccc(Br)c2)nc1 ZINC000638094104 565185262 /nfs/dbraw/zinc/18/52/62/565185262.db2.gz YQQSNAOMJDRGDJ-HIFRSBDPSA-N 1 0 378.226 2.691 20 0 GFADRO O=C(c1cc(Br)cc2nc[nH]c21)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000638140645 565185852 /nfs/dbraw/zinc/18/58/52/565185852.db2.gz AIISILFDPHCYBL-FZMZJTMJSA-N 1 0 377.286 2.930 20 0 GFADRO O=C(c1cc(Br)cc2nc[nH]c21)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000638140646 565185992 /nfs/dbraw/zinc/18/59/92/565185992.db2.gz AIISILFDPHCYBL-RISCZKNCSA-N 1 0 377.286 2.930 20 0 GFADRO NS(=O)(=O)c1ccc(C[N@H+](CCCO)[C@@H]2CCCc3ccccc32)s1 ZINC000638128433 565186654 /nfs/dbraw/zinc/18/66/54/565186654.db2.gz SZHHTFQSKWNDBX-QGZVFWFLSA-N 1 0 380.535 2.658 20 0 GFADRO COc1ccc(Br)c(CNC(=O)NC2CC[NH+](C3CC3)CC2)c1 ZINC000616054278 565187392 /nfs/dbraw/zinc/18/73/92/565187392.db2.gz AHMJRZXHBJCZDP-UHFFFAOYSA-N 1 0 382.302 2.884 20 0 GFADRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)c3ccc4cncc(Br)c4n3)C[C@@H]21 ZINC000638164294 565187904 /nfs/dbraw/zinc/18/79/04/565187904.db2.gz KKPOFSSDNGAQQV-SGMGOOAPSA-N 1 0 375.270 2.592 20 0 GFADRO Cc1cc(Br)c(C(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)cc1Br ZINC000638248570 565190129 /nfs/dbraw/zinc/19/01/29/565190129.db2.gz QNDCOQKUDYMHMG-IUCAKERBSA-N 1 0 394.082 2.950 20 0 GFADRO CCSc1ccc(CC(=O)NC[C@@H]2C[NH2+]CCCO2)c(Br)c1 ZINC000638267822 565190338 /nfs/dbraw/zinc/19/03/38/565190338.db2.gz VHJBKHOQLMZXBR-ZDUSSCGKSA-N 1 0 387.343 2.598 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+]C[C@@H](c2ccccc2Cl)N2CCCC2)s1 ZINC000638298934 565191242 /nfs/dbraw/zinc/19/12/42/565191242.db2.gz VKPXUBPNNJUUFP-INIZCTEOSA-N 1 0 399.969 2.976 20 0 GFADRO [NH3+]C[C@]1(C(=O)NCCc2cc(Cl)ccc2Br)CCCOC1 ZINC000638309870 565191644 /nfs/dbraw/zinc/19/16/44/565191644.db2.gz QDHXGDWHTOXBAG-OAHLLOKOSA-N 1 0 375.694 2.517 20 0 GFADRO COc1cc(C(=O)N2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)ccc1Br ZINC000638345618 565192205 /nfs/dbraw/zinc/19/22/05/565192205.db2.gz XBGVLWLNPUVLOE-GDBMZVCRSA-N 1 0 397.313 2.816 20 0 GFADRO CCSc1ccc(CC(=O)N2CCCO[C@@H](C[NH3+])C2)c(Br)c1 ZINC000638343836 565192339 /nfs/dbraw/zinc/19/23/39/565192339.db2.gz MJOKPCJAFUGSOF-ZDUSSCGKSA-N 1 0 387.343 2.680 20 0 GFADRO CO[C@H](C[NH2+]Cc1nnc2c(Cl)cc(C(F)(F)F)cn12)[C@@H]1CCOC1 ZINC000638344295 565192265 /nfs/dbraw/zinc/19/22/65/565192265.db2.gz TWSPJNOSKOBKIM-BXKDBHETSA-N 1 0 378.782 2.543 20 0 GFADRO Cn1cc([C@@H]2CN(C(=O)c3cccc4c(Br)cccc34)C[C@H]2[NH3+])cn1 ZINC000638366848 565193804 /nfs/dbraw/zinc/19/38/04/565193804.db2.gz QVPSUERNCXFQNJ-FUHWJXTLSA-N 1 0 399.292 2.903 20 0 GFADRO COC1(C(=O)N2CC[C@@H](Sc3ccc(Br)cc3)C2)CC[NH2+]CC1 ZINC000638471946 565197798 /nfs/dbraw/zinc/19/77/98/565197798.db2.gz CFFWUJNNYRZUMY-OAHLLOKOSA-N 1 0 399.354 2.911 20 0 GFADRO CSc1nsc(NC(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)n1 ZINC000659000357 565197958 /nfs/dbraw/zinc/19/79/58/565197958.db2.gz RAMTYNKLBWRVBW-BXKDBHETSA-N 1 0 385.465 2.805 20 0 GFADRO COc1ccc(Br)cc1C(=O)CCC(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000638501093 565199208 /nfs/dbraw/zinc/19/92/08/565199208.db2.gz YNKNHOGARKLXKW-MRXNPFEDSA-N 1 0 395.297 2.821 20 0 GFADRO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)Nc1cc(Cl)c(Br)cc1C ZINC000659078534 565200512 /nfs/dbraw/zinc/20/05/12/565200512.db2.gz TURURVFVFCPGKX-JTQLQIEISA-N 1 0 388.693 2.560 20 0 GFADRO NS(=O)(=O)c1ccc(CN[C@H](C[NH+]2CCCCC2)c2ccccc2)s1 ZINC000638514243 565200613 /nfs/dbraw/zinc/20/06/13/565200613.db2.gz QVOJZOAUBXHILE-QGZVFWFLSA-N 1 0 379.551 2.712 20 0 GFADRO C[NH2+][C@H]1CCCN(C(=O)C(=O)Nc2cc(Cl)c(Br)cc2C)C1 ZINC000659079362 565200805 /nfs/dbraw/zinc/20/08/05/565200805.db2.gz SNJCHTZCGXLMAT-JTQLQIEISA-N 1 0 388.693 2.560 20 0 GFADRO COc1ccc(Br)c(C(=O)NCCC[NH2+]CCC[C@@H]2CCO2)c1 ZINC000638523513 565200893 /nfs/dbraw/zinc/20/08/93/565200893.db2.gz HUKRPFKANGAVOA-CYBMUJFWSA-N 1 0 385.302 2.736 20 0 GFADRO CC(C)c1cc(Br)ccc1NC(=O)C(=O)NCC1([NH3+])CCCC1 ZINC000659098181 565201556 /nfs/dbraw/zinc/20/15/56/565201556.db2.gz FAGYYGZVEHEQEC-UHFFFAOYSA-N 1 0 382.302 2.899 20 0 GFADRO COc1ncc(Br)cc1CNC(=O)C[C@H]1[NH2+]Cc2ccccc21 ZINC000638560082 565203099 /nfs/dbraw/zinc/20/30/99/565203099.db2.gz IPZAWVFVMWECLK-OAHLLOKOSA-N 1 0 376.254 2.704 20 0 GFADRO COC1(C(=O)N2CC3(CCC3)c3cc(Br)ccc32)CC[NH2+]CC1 ZINC000638599158 565203780 /nfs/dbraw/zinc/20/37/80/565203780.db2.gz YZCGKQDKTOYMTD-UHFFFAOYSA-N 1 0 379.298 2.986 20 0 GFADRO CN(CCOCC[NH3+])C(=O)c1csc(-c2cc(Br)cs2)n1 ZINC000638676060 565207063 /nfs/dbraw/zinc/20/70/63/565207063.db2.gz OSMPKHVZRDLJMZ-UHFFFAOYSA-N 1 0 390.328 2.681 20 0 GFADRO O=C(NCCc1ccc(Cl)cc1Cl)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000590844869 565207263 /nfs/dbraw/zinc/20/72/63/565207263.db2.gz DJRPEQLCWNSRAR-IRXDYDNUSA-N 1 0 386.323 2.777 20 0 GFADRO C[C@H]1C[C@H](NCc2ccc(S(N)(=O)=O)s2)CC[N@@H+]1Cc1ccccc1 ZINC000638720895 565208130 /nfs/dbraw/zinc/20/81/30/565208130.db2.gz LASFBOFDWMSQGT-GOEBONIOSA-N 1 0 379.551 2.538 20 0 GFADRO COc1cc(C(=O)N2CCC(CO[C@@H]3CC[NH2+]C3)CC2)ccc1Br ZINC000638786839 565211557 /nfs/dbraw/zinc/21/15/57/565211557.db2.gz RIYYEEPSJVJDON-OAHLLOKOSA-N 1 0 397.313 2.688 20 0 GFADRO O=C(NCc1ccc2c(c1)C[NH2+]C2)c1cc(Br)cc2c1OCCO2 ZINC000659303430 565211743 /nfs/dbraw/zinc/21/17/43/565211743.db2.gz HGLGBKAVBZIIOD-UHFFFAOYSA-N 1 0 389.249 2.754 20 0 GFADRO O=C(c1cc(Br)cc(N2CCCC2)c1)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000659314912 565213033 /nfs/dbraw/zinc/21/30/33/565213033.db2.gz MSJBEZUYFKVVCN-SUMWQHHRSA-N 1 0 378.314 2.873 20 0 GFADRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)c1sc2c(c1Br)CNC2 ZINC000659318323 565213250 /nfs/dbraw/zinc/21/32/50/565213250.db2.gz DKKPPYQNWXEJFR-JTQLQIEISA-N 1 0 386.359 2.916 20 0 GFADRO CS(=O)(=O)C1(C(=O)Nc2nc(C3CCCCCC3)cs2)CC[NH2+]CC1 ZINC000638824565 565213401 /nfs/dbraw/zinc/21/34/01/565213401.db2.gz HAWVMALLUULLGE-UHFFFAOYSA-N 1 0 385.555 2.686 20 0 GFADRO O=C(N[C@H]1C[NH2+]CC[C@H]1c1cccc(F)c1)c1nscc1Br ZINC000659351428 565213991 /nfs/dbraw/zinc/21/39/91/565213991.db2.gz FHHKREPBDSYOFG-AAEUAGOBSA-N 1 0 384.274 2.920 20 0 GFADRO CCO[C@@H]1C[C@]([NH3+])(C(=O)N[C@@H]2[C@@H]3Cc4c(cccc4Br)[C@@H]32)C1(C)C ZINC000638831527 565214397 /nfs/dbraw/zinc/21/43/97/565214397.db2.gz MANUCHWTSUEUNP-YLUTUWDDSA-N 1 0 393.325 2.736 20 0 GFADRO O=C(C[C@@H]1CC[NH2+]C1)N1CC2(CCOCC2)c2ccc(Br)cc21 ZINC000638842085 565214644 /nfs/dbraw/zinc/21/46/44/565214644.db2.gz LIWZYLNTLZWFHH-ZDUSSCGKSA-N 1 0 379.298 2.844 20 0 GFADRO [NH3+][C@@H]1CN(C(=O)c2ccc(Br)cc2Br)CC[C@H]1F ZINC000659386632 565216017 /nfs/dbraw/zinc/21/60/17/565216017.db2.gz DPACCGRPMIVROP-GHMZBOCLSA-N 1 0 380.055 2.723 20 0 GFADRO C[C@H](Cc1cc(Br)ccc1F)NC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000659474567 565217581 /nfs/dbraw/zinc/21/75/81/565217581.db2.gz UQFCNSSDNXGQHL-OWYVNGRQSA-N 1 0 376.245 2.600 20 0 GFADRO CC(C)[C@H]([NH3+])CCNC(=O)NCc1cnn(-c2ccc(Br)cc2)c1 ZINC000659486197 565218295 /nfs/dbraw/zinc/21/82/95/565218295.db2.gz AKAFEJITPYPESC-MRXNPFEDSA-N 1 0 394.317 2.807 20 0 GFADRO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)c1nn(-c2cccc(Br)c2)c2c1CCC2 ZINC000638936484 565218354 /nfs/dbraw/zinc/21/83/54/565218354.db2.gz PUIIMHWLYLYLMS-DGCLKSJQSA-N 1 0 389.297 2.685 20 0 GFADRO Cc1ccc(CNC(=O)c2cn([C@H]3CCC[NH2+]CC3)nn2)cc1Br ZINC000639036013 565221590 /nfs/dbraw/zinc/22/15/90/565221590.db2.gz LZQBKQVJJCOCEJ-AWEZNQCLSA-N 1 0 392.301 2.594 20 0 GFADRO COC(=O)c1cc(NC(=O)N[C@@H](C[NH3+])CC(C)C)c(Br)cc1F ZINC000591287355 565221939 /nfs/dbraw/zinc/22/19/39/565221939.db2.gz QNHXKZZTAALOCF-SECBINFHSA-N 1 0 390.253 2.870 20 0 GFADRO COC(=O)c1cc(NC(=O)N2CC[C@@](C)(C[NH3+])C2)c(Br)cc1F ZINC000591287341 565221983 /nfs/dbraw/zinc/22/19/83/565221983.db2.gz PEWOKUZCWGWKEP-HNNXBMFYSA-N 1 0 388.237 2.577 20 0 GFADRO CO[C@]1(C[NH2+][C@@H]2CCN(C)[C@@H](c3ccc(Br)cc3)C2)CCOC1 ZINC000639050298 565222109 /nfs/dbraw/zinc/22/21/09/565222109.db2.gz HLGCBFPZNASKGV-KURKYZTESA-N 1 0 383.330 2.980 20 0 GFADRO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N[C@@H](C)c1cc(F)c(Cl)cc1Cl ZINC000659673775 565222274 /nfs/dbraw/zinc/22/22/74/565222274.db2.gz HGDQSERRMOLYLQ-LKFCYVNXSA-N 1 0 378.275 2.799 20 0 GFADRO C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCSc3ccc(Cl)cc32)[C@H](C[NH3+])C1 ZINC000659690985 565222332 /nfs/dbraw/zinc/22/23/32/565222332.db2.gz LYZOSHKFPHHZRS-OSAQELSMSA-N 1 0 381.929 2.579 20 0 GFADRO COC(=O)c1cc(NC(=O)N[C@H]2CCC[NH2+]CC2)cc(Br)c1F ZINC000591302042 565222623 /nfs/dbraw/zinc/22/26/23/565222623.db2.gz GBBXVGJEZULOHP-VIFPVBQESA-N 1 0 388.237 2.638 20 0 GFADRO COC(=O)c1cc(NC(=O)N2CCC(C)([NH3+])CC2)cc(Br)c1F ZINC000591302060 565222692 /nfs/dbraw/zinc/22/26/92/565222692.db2.gz VHFQAXJZDIPJOD-UHFFFAOYSA-N 1 0 388.237 2.720 20 0 GFADRO COCCO[C@H]1COCC[C@@H]1[NH2+]Cc1nc2cc(Br)ccc2o1 ZINC000639061723 565222974 /nfs/dbraw/zinc/22/29/74/565222974.db2.gz QAYOMUWWAQEQNZ-WFASDCNBSA-N 1 0 385.258 2.500 20 0 GFADRO CCn1c(C[NH2+]C[C@@H](OC)[C@@H]2CCOC2)nc2cc(Br)ccc21 ZINC000639103501 565224480 /nfs/dbraw/zinc/22/44/80/565224480.db2.gz PJXGWRHDSYNQMO-MLGOLLRUSA-N 1 0 382.302 2.960 20 0 GFADRO CO[C@@H](C[NH+]1CCN(Cc2ccc(Br)s2)CC1)[C@H]1CCOC1 ZINC000659832530 565225035 /nfs/dbraw/zinc/22/50/35/565225035.db2.gz UTADDEVTNGOGNA-ZFWWWQNUSA-N 1 0 389.359 2.680 20 0 GFADRO O=S(=O)(NC1CC[NH+](CCOCc2ccccc2)CC1)c1cccs1 ZINC000659817085 565225244 /nfs/dbraw/zinc/22/52/44/565225244.db2.gz AILCSPAYGOZVPX-UHFFFAOYSA-N 1 0 380.535 2.708 20 0 GFADRO O=C(CN1CC[NH+](CC2CC2)CC1)c1c[nH]c2ncc(Br)cc12 ZINC000659847938 565226716 /nfs/dbraw/zinc/22/67/16/565226716.db2.gz TUMVGPITXUBIQI-UHFFFAOYSA-N 1 0 377.286 2.536 20 0 GFADRO CC[NH+](CC)CCN(CCOC)S(=O)(=O)c1ccccc1C(F)(F)F ZINC000591398173 565228622 /nfs/dbraw/zinc/22/86/22/565228622.db2.gz MUJDJFYZZWMSLN-UHFFFAOYSA-N 1 0 382.448 2.684 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCCN(c2ncnc3ccc(I)cc32)C1 ZINC000591428637 565229884 /nfs/dbraw/zinc/22/98/84/565229884.db2.gz YGVUGIQGSZKGOV-QWRGUYRKSA-N 1 0 382.249 2.798 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CCCN(c2ncnc3ccc(I)cc32)C1 ZINC000591428636 565230008 /nfs/dbraw/zinc/23/00/08/565230008.db2.gz YGVUGIQGSZKGOV-MNOVXSKESA-N 1 0 382.249 2.798 20 0 GFADRO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)c1c[nH]c2ncc(Br)cc12 ZINC000659927391 565231962 /nfs/dbraw/zinc/23/19/62/565231962.db2.gz JEQDCMBXQBGFNW-WCQYABFASA-N 1 0 377.286 2.677 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)c2cc(Br)c3c(c2)OCCO3)C1 ZINC000617350795 565233725 /nfs/dbraw/zinc/23/37/25/565233725.db2.gz CKSCZQGHOCHSNX-LBPRGKRZSA-N 1 0 383.286 2.823 20 0 GFADRO COc1nsc(C[NH2+][C@@H](C2CC2)C2(CO)CCOCC2)c1Br ZINC000639211114 565233876 /nfs/dbraw/zinc/23/38/76/565233876.db2.gz MPBUQSDKMFWLMS-ZDUSSCGKSA-N 1 0 391.331 2.572 20 0 GFADRO C[C@@](CO)([NH2+]Cc1ccc(S(N)(=O)=O)cc1)c1cc(Cl)cc(Cl)c1 ZINC000639237707 565235179 /nfs/dbraw/zinc/23/51/79/565235179.db2.gz LZUIMTIWRJEFLP-INIZCTEOSA-N 1 0 389.304 2.638 20 0 GFADRO Cn1nccc1[C@@H](CO)[NH2+][C@H]1CCN(C)[C@@H](c2ccc(Br)cc2)C1 ZINC000639257402 565235714 /nfs/dbraw/zinc/23/57/14/565235714.db2.gz NDWVTGOKQNPBMP-LZLYRXPVSA-N 1 0 393.329 2.641 20 0 GFADRO CC[N@H+](C)C[C@@H]1CCN(CC(=O)c2c[nH]c3ncc(Br)cc23)C1 ZINC000659989913 565236424 /nfs/dbraw/zinc/23/64/24/565236424.db2.gz WDVBJDSADNGTIR-LBPRGKRZSA-N 1 0 379.302 2.782 20 0 GFADRO Nc1c(Br)cc(Br)cc1C[NH2+]CC[C@@H](O)C(F)F ZINC000639378818 565242391 /nfs/dbraw/zinc/24/23/91/565242391.db2.gz XAKOPWKJEPNOAP-SECBINFHSA-N 1 0 388.050 2.900 20 0 GFADRO Cc1c(Br)scc1C(=O)N[C@@H](C)CN(C)CCC[NH+](C)C ZINC000617507113 565244267 /nfs/dbraw/zinc/24/42/67/565244267.db2.gz IRBFFYKZYTVEIE-NSHDSACASA-N 1 0 376.364 2.821 20 0 GFADRO CCN(C(=O)CNC(=O)c1sc2ccccc2c1Cl)[C@@H]1CC[N@H+](C)C1 ZINC000617560773 565247190 /nfs/dbraw/zinc/24/71/90/565247190.db2.gz XJOKFVWBEYDWKL-GFCCVEGCSA-N 1 0 379.913 2.837 20 0 GFADRO C[C@H](c1ccc(Br)cc1)N1CC[NH+](C[C@@H]2CCc3ncnn32)CC1 ZINC000639498272 565248600 /nfs/dbraw/zinc/24/86/00/565248600.db2.gz SBTXMHVBNJENEB-PBHICJAKSA-N 1 0 390.329 2.907 20 0 GFADRO C[C@H]([NH2+]Cc1c(Br)cnn1C)C1CCN(CC(F)(F)F)CC1 ZINC000639629705 565252332 /nfs/dbraw/zinc/25/23/32/565252332.db2.gz PFWSHHQKJFVLSR-JTQLQIEISA-N 1 0 383.256 2.935 20 0 GFADRO Cc1ncc(CNC(=O)CC[N@@H+]2CC[C@@H](O)[C@H]2c2ccc(Cl)cc2)s1 ZINC000639677948 565254884 /nfs/dbraw/zinc/25/48/84/565254884.db2.gz LWDMQZVYZRHKJV-SJLPKXTDSA-N 1 0 379.913 2.919 20 0 GFADRO CC1(C)CCC[N@@H+]1CCNC(=O)Nc1ccc(NS(C)(=O)=O)c(Cl)c1 ZINC000639702349 565255078 /nfs/dbraw/zinc/25/50/78/565255078.db2.gz QMBYCMMQVCBDRC-UHFFFAOYSA-N 1 0 388.921 2.707 20 0 GFADRO CN(CCC[NH+](C)C)CCNC(=O)c1cc(Br)ccc1Cl ZINC000617768933 565258791 /nfs/dbraw/zinc/25/87/91/565258791.db2.gz ZXLWMNAOZYBTSN-UHFFFAOYSA-N 1 0 376.726 2.716 20 0 GFADRO C[C@H](C[NH+]1CCOCC1)C(=O)N1CCN(c2ccc(Cl)cc2Cl)CC1 ZINC000617790654 565259455 /nfs/dbraw/zinc/25/94/55/565259455.db2.gz ZFCIEDYYSXOVTJ-CQSZACIVSA-N 1 0 386.323 2.610 20 0 GFADRO Cc1csc(=O)n1CC[N@@H+]1CC[C@@H](Oc2cncc(Br)c2)C1 ZINC000639772186 565260636 /nfs/dbraw/zinc/26/06/36/565260636.db2.gz IGARNIKPYTXVGX-CYBMUJFWSA-N 1 0 384.299 2.529 20 0 GFADRO CC[N@@H+]1C[C@@H](C)N(CC(=O)c2c[nH]c3ncc(Br)cc23)C[C@H]1C ZINC000660156025 565260880 /nfs/dbraw/zinc/26/08/80/565260880.db2.gz POICMQBEADSHDX-VXGBXAGGSA-N 1 0 379.302 2.923 20 0 GFADRO C[NH+](C)C[C@@H]1COC2(CCCC2)CN1S(=O)(=O)Cc1cccc(Cl)c1 ZINC000660150377 565260983 /nfs/dbraw/zinc/26/09/83/565260983.db2.gz JBYBOUZYNJEYQK-QGZVFWFLSA-N 1 0 386.945 2.745 20 0 GFADRO COC(=O)[C@@H]1C[C@H](O)C[N@H+](CCSc2ccnc3cc(Cl)ccc32)C1 ZINC000592203952 565261782 /nfs/dbraw/zinc/26/17/82/565261782.db2.gz IBUVCRHFFIMVEI-OCCSQVGLSA-N 1 0 380.897 2.836 20 0 GFADRO C[C@@H]1[C@@H](c2ccc(Br)cc2)OCC[N@@H+]1C[C@@H]1CCc2ncnn21 ZINC000639800657 565262132 /nfs/dbraw/zinc/26/21/32/565262132.db2.gz MGAHKNUHKNYRMQ-PVUWLOKVSA-N 1 0 377.286 2.990 20 0 GFADRO CCOC(=O)c1cn(C[C@H]2CC[NH2+]C2)c2cc(Br)ccc2c1=O ZINC000592160459 565262549 /nfs/dbraw/zinc/26/25/49/565262549.db2.gz KLXSYEGDPZQDRU-NSHDSACASA-N 1 0 379.254 2.550 20 0 GFADRO O=S(=O)(NC[C@@H]1CCC[N@H+](CC2CC2)C1)c1ncccc1C(F)(F)F ZINC000660177894 565263971 /nfs/dbraw/zinc/26/39/71/565263971.db2.gz BVDOKYBSRDVEPH-ZDUSSCGKSA-N 1 0 377.432 2.501 20 0 GFADRO CCN(C(=O)c1cc(=O)c2cc(Br)ccc2[nH]1)[C@@H]1CC[N@H+](CC)C1 ZINC000617927708 565268193 /nfs/dbraw/zinc/26/81/93/565268193.db2.gz BDYYVTWULZIMTD-CYBMUJFWSA-N 1 0 392.297 2.847 20 0 GFADRO C[C@@H]1CC[C@@](CO)([N@H+](C)CC(=O)c2c[nH]c3ncc(Br)cc23)C1 ZINC000660335817 565271274 /nfs/dbraw/zinc/27/12/74/565271274.db2.gz KMQYCDSZLGQUON-PIGZYNQJSA-N 1 0 380.286 2.991 20 0 GFADRO CS[C@H]1CN(C(=O)c2ncc(Br)s2)C[C@@H]1[NH+]1CCCC1 ZINC000618020657 565271627 /nfs/dbraw/zinc/27/16/27/565271627.db2.gz SMIUJIJYHMDBQA-UWVGGRQHSA-N 1 0 376.345 2.557 20 0 GFADRO CS(=O)(=O)c1ccc(OCCN2CCC(Cc3nccs3)CC2)cc1 ZINC000639984420 565271848 /nfs/dbraw/zinc/27/18/48/565271848.db2.gz LPAPXQGZCPRZJH-UHFFFAOYSA-N 1 0 380.535 2.880 20 0 GFADRO C[C@@H]([NH2+]CCCc1ncn(C)n1)c1ccc(F)c(I)c1 ZINC000592394687 565273915 /nfs/dbraw/zinc/27/39/15/565273915.db2.gz QXKMNHDUUBCMHH-SNVBAGLBSA-N 1 0 388.228 2.842 20 0 GFADRO CC[C@]1(O)CCCN(Cc2csc(-c3ccc(S(C)(=O)=O)cc3)n2)C1 ZINC000640033085 565274905 /nfs/dbraw/zinc/27/49/05/565274905.db2.gz NVCVQDRRRIRFHA-SFHVURJKSA-N 1 0 380.535 2.951 20 0 GFADRO CC[NH+](CC)CCN(Cc1ccc(Cl)cc1)C(=O)[C@H](C)CS(C)(=O)=O ZINC000618173890 565276200 /nfs/dbraw/zinc/27/62/00/565276200.db2.gz CXCLGPXLEBFVCN-OAHLLOKOSA-N 1 0 388.961 2.691 20 0 GFADRO C[C@H](C(=O)Nc1ccc(Br)cc1)N1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000640052410 565277610 /nfs/dbraw/zinc/27/76/10/565277610.db2.gz AOJCIQUTTONUNR-GBIKHYSHSA-N 1 0 395.219 2.879 20 0 GFADRO COc1cc(NC(=O)c2cnn3c2[C@H](C[NH3+])CCC3)ccc1Br ZINC000592488467 565278621 /nfs/dbraw/zinc/27/86/21/565278621.db2.gz POUUGBFIHPIPNF-JTQLQIEISA-N 1 0 379.258 2.743 20 0 GFADRO Cc1cc(I)ccc1NC(=O)COC1CCC([NH3+])CC1 ZINC000592476630 565278950 /nfs/dbraw/zinc/27/89/50/565278950.db2.gz LIKZIFDBWBARFU-UHFFFAOYSA-N 1 0 388.249 2.825 20 0 GFADRO [NH3+]C[C@H]1CCCn2ncc(C(=O)NCc3ccc(Br)c(F)c3)c21 ZINC000592510559 565279591 /nfs/dbraw/zinc/27/95/91/565279591.db2.gz JUGSYZGBFKYGKB-LLVKDONJSA-N 1 0 381.249 2.551 20 0 GFADRO Cc1nn(-c2ccc(C(=O)N(C)CC3C[NH+](C)C3)cc2)c(C)c1Br ZINC000618195717 565279914 /nfs/dbraw/zinc/27/99/14/565279914.db2.gz VGOJBZJCUIRPDK-UHFFFAOYSA-N 1 0 391.313 2.885 20 0 GFADRO Cc1nn(C)c(NC(=O)NC[C@H](c2ccccc2)[NH+](C)C)c1Br ZINC000640161453 565280791 /nfs/dbraw/zinc/28/07/91/565280791.db2.gz CKCOBZMKTPASEX-CYBMUJFWSA-N 1 0 380.290 2.915 20 0 GFADRO CN(C[C@H]1CCCN(Cc2cccc(F)c2OC(F)F)C1)S(C)(=O)=O ZINC000660535619 565281089 /nfs/dbraw/zinc/28/10/89/565281089.db2.gz YCLNOHYLHFVPQB-GFCCVEGCSA-N 1 0 380.432 2.531 20 0 GFADRO CN(CC1C[NH+](C)C1)C(=O)NCc1cc(Br)ccc1OC(F)F ZINC000660521080 565281594 /nfs/dbraw/zinc/28/15/94/565281594.db2.gz PSLGFYJONBPNPY-UHFFFAOYSA-N 1 0 392.244 2.754 20 0 GFADRO COc1ncc(Br)cc1CN1CCC([N@@H+]2CCOC[C@H]2C)CC1 ZINC000660589262 565284255 /nfs/dbraw/zinc/28/42/55/565284255.db2.gz FNDAEOSVOBFANN-CYBMUJFWSA-N 1 0 384.318 2.538 20 0 GFADRO CSc1ccc([C@H](CNC(=O)Nc2csc(C(N)=O)c2)[NH+](C)C)cc1 ZINC000640183126 565285282 /nfs/dbraw/zinc/28/52/82/565285282.db2.gz FUAKSDWIQKATBU-AWEZNQCLSA-N 1 0 378.523 2.993 20 0 GFADRO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)Cc1csc2ccc(Cl)cc12 ZINC000618307143 565285808 /nfs/dbraw/zinc/28/58/08/565285808.db2.gz YCLIGKYMBAORHB-UHFFFAOYSA-N 1 0 381.929 2.576 20 0 GFADRO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 ZINC000618305786 565286054 /nfs/dbraw/zinc/28/60/54/565286054.db2.gz HIKZVAHUKPYQIS-HZPDHXFCSA-N 1 0 386.323 2.575 20 0 GFADRO O=C(NCCCC[N@H+]1CCC[C@@H]1CO)Nc1cscc1Br ZINC000640191519 565286933 /nfs/dbraw/zinc/28/69/33/565286933.db2.gz KMZBNQCIDWQMSZ-LLVKDONJSA-N 1 0 376.320 2.869 20 0 GFADRO CC[C@@H](Cc1ccc(Br)cc1)NC(=O)N[C@@H]1CC[N@H+](CCOC)C1 ZINC000660706769 565291122 /nfs/dbraw/zinc/29/11/22/565291122.db2.gz WMEIPMGZJMFOQR-DLBZAZTESA-N 1 0 398.345 2.790 20 0 GFADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1CC[C@H]1c1ccc(Br)cc1 ZINC000660853954 565296707 /nfs/dbraw/zinc/29/67/07/565296707.db2.gz KWEBGCIFGNHJQA-PBHICJAKSA-N 1 0 395.345 2.541 20 0 GFADRO O=C(N[C@H]1CC[N@@H+](C2CC2)C1)c1ccn(-c2cccc(Br)c2)n1 ZINC000592851677 565301041 /nfs/dbraw/zinc/30/10/41/565301041.db2.gz SCMBPDVPYQZDID-ZDUSSCGKSA-N 1 0 375.270 2.601 20 0 GFADRO CCn1ccnc1[C@H](C)NC(=O)Nc1nnc(C(F)(F)C(F)(F)F)s1 ZINC000640386334 565306064 /nfs/dbraw/zinc/30/60/64/565306064.db2.gz FVBLYZKVBLLWQT-LURJTMIESA-N 1 0 384.334 3.291 20 0 GFADRO C[N@H+](C[C@H](O)COc1ccc(Br)cc1)[C@@H](CO)Cc1ccccc1 ZINC000661096539 565306253 /nfs/dbraw/zinc/30/62/53/565306253.db2.gz FLRPYKMIFKCIQP-MSOLQXFVSA-N 1 0 394.309 2.724 20 0 GFADRO O=C(Cc1cc[nH]c(=O)c1Br)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000618669692 565310655 /nfs/dbraw/zinc/31/06/55/565310655.db2.gz KOEVJBCRNYWXPI-CYBMUJFWSA-N 1 0 382.302 2.615 20 0 GFADRO O=C(Cc1cc[nH]c(=O)c1Br)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000618669693 565310700 /nfs/dbraw/zinc/31/07/00/565310700.db2.gz KOEVJBCRNYWXPI-ZDUSSCGKSA-N 1 0 382.302 2.615 20 0 GFADRO COC[C@H]([NH2+]C[C@@H](O)COc1ccc(Cl)cc1Cl)C1CCOCC1 ZINC000661160857 565311301 /nfs/dbraw/zinc/31/13/01/565311301.db2.gz ONIYPJFTUNHLKQ-ZBFHGGJFSA-N 1 0 378.296 2.764 20 0 GFADRO COC(=O)[C@@H]1C[N@H+](CC(=O)Nc2ccc(Br)cc2)C[C@H]1C1CC1 ZINC000593132342 565315674 /nfs/dbraw/zinc/31/56/74/565315674.db2.gz UAQVFNHEANBILI-LSDHHAIUSA-N 1 0 381.270 2.519 20 0 GFADRO C[N@H+](CC(=O)N1CCOC[C@H]1c1cccc(Br)c1)[C@H]1CCSC1 ZINC000618773542 565316565 /nfs/dbraw/zinc/31/65/65/565316565.db2.gz MMCUUUILOWRZAD-HOTGVXAUSA-N 1 0 399.354 2.786 20 0 GFADRO O[C@@H](COC1CCOCC1)C[NH+]1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000661377947 565320981 /nfs/dbraw/zinc/32/09/81/565320981.db2.gz XJFLRBASTQZRMF-OAHLLOKOSA-N 1 0 389.323 2.672 20 0 GFADRO C[C@@H](NCC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)c1cscn1 ZINC000661419724 565322589 /nfs/dbraw/zinc/32/25/89/565322589.db2.gz PTOUTXDKKLICLA-CQSZACIVSA-N 1 0 376.551 2.981 20 0 GFADRO C[C@H](CO)[C@H]1CCCC[N@@H+]1C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000661445639 565323998 /nfs/dbraw/zinc/32/39/98/565323998.db2.gz ORWVYCHLNDYJRS-SRCQZFHVSA-N 1 0 390.293 2.811 20 0 GFADRO C[C@H](C(=O)Nc1ccc(Br)cc1)n1cc(C2CC[NH2+]CC2)nn1 ZINC000640801898 565328488 /nfs/dbraw/zinc/32/84/88/565328488.db2.gz ZQMVNXKCTFPUDG-LLVKDONJSA-N 1 0 378.274 2.707 20 0 GFADRO COCC[C@H]([NH3+])Cc1cn([C@H](C)C(=O)Nc2cc(Cl)ccc2Cl)nn1 ZINC000640803002 565329185 /nfs/dbraw/zinc/32/91/85/565329185.db2.gz UZOKZYIHLZAHSN-PWSUYJOCSA-N 1 0 386.283 2.691 20 0 GFADRO CCC[N@H+](C)[C@H](CNC(=O)N1C[C@@H]2C[C@H]1C[S@@]2=O)c1ccc(Cl)cc1 ZINC000593404855 565330515 /nfs/dbraw/zinc/33/05/15/565330515.db2.gz WIDRDTMMTFUNML-ZVUFPHILSA-N 1 0 383.945 2.638 20 0 GFADRO Clc1ccc(OCCn2cc(C[C@@H]3CC[NH2+]C3)nn2)c(Br)c1 ZINC000640859339 565332789 /nfs/dbraw/zinc/33/27/89/565332789.db2.gz MJQYVEKMTJLKMM-NSHDSACASA-N 1 0 385.693 2.925 20 0 GFADRO C[NH2+]C(C)(C)c1cn(Cc2nc(-c3cccc(Br)c3)no2)nn1 ZINC000640877489 565333686 /nfs/dbraw/zinc/33/36/86/565333686.db2.gz FVXMSINTFHWCOK-UHFFFAOYSA-N 1 0 377.246 2.593 20 0 GFADRO C[C@H](C(=O)NC(C)(C)C)n1cc([C@@H]([NH3+])c2ccc(Br)cc2)nn1 ZINC000640882938 565334098 /nfs/dbraw/zinc/33/40/98/565334098.db2.gz WLBWXFRTRYHTCC-YGRLFVJLSA-N 1 0 380.290 2.564 20 0 GFADRO CC[NH2+]Cc1ccn(Cc2cn(Cc3cc(Br)ccc3F)nn2)n1 ZINC000640935338 565338890 /nfs/dbraw/zinc/33/88/90/565338890.db2.gz MYKMAGJROKSSOD-UHFFFAOYSA-N 1 0 393.264 2.582 20 0 GFADRO COc1ccc(Cn2cc(C[C@H]3CCC[NH2+]C3)nn2)c(Br)c1OC ZINC000640988957 565339817 /nfs/dbraw/zinc/33/98/17/565339817.db2.gz FVPUBRFMDWMHEO-GFCCVEGCSA-N 1 0 395.301 2.648 20 0 GFADRO [NH3+][C@H](c1cn(CCOCC(F)(F)F)nn1)c1ccc(Br)cc1 ZINC000640985075 565339947 /nfs/dbraw/zinc/33/99/47/565339947.db2.gz DQFLZOYXAZJODG-LBPRGKRZSA-N 1 0 379.180 2.668 20 0 GFADRO Cc1sc(NC(=O)Cn2cc(CC[NH3+])nn2)nc1-c1ccc(Cl)cc1 ZINC000640962049 565340122 /nfs/dbraw/zinc/34/01/22/565340122.db2.gz NMOHUKGCAADXEB-UHFFFAOYSA-N 1 0 376.873 2.503 20 0 GFADRO C[NH+](C)CCc1cn(Cc2coc(-c3ccc(Br)cc3)n2)nn1 ZINC000641000061 565341021 /nfs/dbraw/zinc/34/10/21/565341021.db2.gz RHJSGQJLUWNFRZ-UHFFFAOYSA-N 1 0 376.258 2.848 20 0 GFADRO Brc1ccc(-c2nc(Cn3cc(C[C@H]4CC[NH2+]C4)nn3)co2)cc1 ZINC000641000085 565341193 /nfs/dbraw/zinc/34/11/93/565341193.db2.gz SHUCXNUPZSXZEF-GFCCVEGCSA-N 1 0 388.269 2.896 20 0 GFADRO CC(C)[C@H]([NH3+])c1cn(Cc2nc(-c3cc(Br)cs3)no2)nn1 ZINC000640993808 565341321 /nfs/dbraw/zinc/34/13/21/565341321.db2.gz HVZJVBDXSHPDBM-LBPRGKRZSA-N 1 0 383.275 2.856 20 0 GFADRO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)N[C@H](CO)c1cccc(Br)c1 ZINC000661902435 565341961 /nfs/dbraw/zinc/34/19/61/565341961.db2.gz SKGQRIBSPSXFNG-WMLDXEAASA-N 1 0 398.345 2.902 20 0 GFADRO CC(C)(COc1ncc(Cl)cc1Cl)NC(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000641035226 565342262 /nfs/dbraw/zinc/34/22/62/565342262.db2.gz ZQJFKQSWAXYHMA-GFCCVEGCSA-N 1 0 375.300 2.987 20 0 GFADRO CCc1nnc([C@@H](C)n2cc([C@@H]([NH3+])c3ccc(Br)cc3)nn2)o1 ZINC000641033586 565342364 /nfs/dbraw/zinc/34/23/64/565342364.db2.gz OJPOWACIZLQEHQ-OTYXRUKQSA-N 1 0 377.246 2.643 20 0 GFADRO CC(C)[C@@H]([NH3+])c1cn(Cc2nc(Cc3cccc(Br)c3)no2)nn1 ZINC000641044332 565343766 /nfs/dbraw/zinc/34/37/66/565343766.db2.gz YYFMSUVOCKRHRD-MRXNPFEDSA-N 1 0 391.273 2.719 20 0 GFADRO CCC[N@@H+]1CC[C@@H](NC(=O)NCCC(=O)Nc2ccc(Br)cc2)C1 ZINC000661954357 565344139 /nfs/dbraw/zinc/34/41/39/565344139.db2.gz KKMSJBDSGPLIFP-OAHLLOKOSA-N 1 0 397.317 2.561 20 0 GFADRO CC(C)N(C)C(=O)[C@H](C)n1cc([C@@H]([NH3+])c2ccc(Br)cc2)nn1 ZINC000641126211 565347989 /nfs/dbraw/zinc/34/79/89/565347989.db2.gz JPVGQINJLAYLSO-NHYWBVRUSA-N 1 0 380.290 2.517 20 0 GFADRO [NH3+][C@H](c1cn(Cc2nc3cc(Br)ccc3o2)nn1)C1CCOCC1 ZINC000641131431 565349463 /nfs/dbraw/zinc/34/94/63/565349463.db2.gz ZYFIUYDTSNYYGB-INIZCTEOSA-N 1 0 392.257 2.657 20 0 GFADRO CC(C)NC(=O)[C@@H]1CCC[N@H+](C[C@@H](O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000662112312 565350262 /nfs/dbraw/zinc/35/02/62/565350262.db2.gz DCVGNEJORDONMU-ZIAGYGMSSA-N 1 0 389.323 2.970 20 0 GFADRO O[C@@H]1CC[N@@H+](C2CCN(Cc3nc4cc(Br)ccc4o3)CC2)C1 ZINC000662152392 565351738 /nfs/dbraw/zinc/35/17/38/565351738.db2.gz TYOOGTSJIIGFOF-CQSZACIVSA-N 1 0 380.286 2.621 20 0 GFADRO C[C@@H](CCc1ccc(I)cc1)[NH2+]CC[C@]1(O)CCOC1 ZINC000593670946 565355183 /nfs/dbraw/zinc/35/51/83/565355183.db2.gz MWPYFCUGGXXOCN-BBRMVZONSA-N 1 0 389.277 2.743 20 0 GFADRO O[C@@]1(CC[NH2+]Cc2c(F)ccc(I)c2F)CCCOC1 ZINC000593687543 565356309 /nfs/dbraw/zinc/35/63/09/565356309.db2.gz IAOUMEIDDXDKMI-CQSZACIVSA-N 1 0 397.203 2.591 20 0 GFADRO CC[C@H]([NH2+]CC[C@@]1(O)CCOC1)c1ccc(I)cc1 ZINC000593716419 565358420 /nfs/dbraw/zinc/35/84/20/565358420.db2.gz BSVWJDOIWZTEEK-LSDHHAIUSA-N 1 0 375.250 2.873 20 0 GFADRO C[NH+](C)CCC[C@@H]1CN(C[C@@H](O)COc2ccc(Cl)cc2Cl)CCO1 ZINC000662320810 565360455 /nfs/dbraw/zinc/36/04/55/565360455.db2.gz WPYKNWULKNWQRH-HZPDHXFCSA-N 1 0 391.339 2.776 20 0 GFADRO C[NH+](C)C1CC(NC(=O)CCC[S@@](=O)c2ccc(Br)cc2)C1 ZINC000619879693 565360516 /nfs/dbraw/zinc/36/05/16/565360516.db2.gz RRKVHJRCUROVHC-DVUMAKGASA-N 1 0 387.343 2.546 20 0 GFADRO CN(C)S(=O)(=O)c1cc(NC(=O)C[N@H+](C)C[C@H]2CC2(C)C)ccc1Cl ZINC000662344849 565362131 /nfs/dbraw/zinc/36/21/31/565362131.db2.gz FNPLAINXHUSWLP-GFCCVEGCSA-N 1 0 387.933 2.507 20 0 GFADRO CN[C@@H](C(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1)c1cccc(Cl)c1Cl ZINC000662352553 565362222 /nfs/dbraw/zinc/36/22/22/565362222.db2.gz XFQBOGZSXURQSP-CXAGYDPISA-N 1 0 388.339 2.727 20 0 GFADRO CN(CC[NH+]1CCCCC1)C(=O)c1ccc(F)cc1I ZINC000593882827 565365882 /nfs/dbraw/zinc/36/58/82/565365882.db2.gz JUTHAVDPCLLVQD-UHFFFAOYSA-N 1 0 390.240 2.988 20 0 GFADRO O=C(NC[C@@H](O)COc1cccc(Cl)c1Cl)c1cccc2c1C[NH2+]C2 ZINC000662409567 565366305 /nfs/dbraw/zinc/36/63/05/565366305.db2.gz BOZPZPSJEQCING-GFCCVEGCSA-N 1 0 381.259 2.766 20 0 GFADRO CC(C)C[C@H](C[NH3+])CC(=O)NCCCNC(=O)c1ccc(Br)cc1 ZINC000662437114 565367356 /nfs/dbraw/zinc/36/73/56/565367356.db2.gz KIQQSKTWZRNYRM-AWEZNQCLSA-N 1 0 398.345 2.696 20 0 GFADRO O=C(NCCOc1ccc(Br)cc1)c1cc2c(s1)CC[NH2+]C2 ZINC000662420045 565368013 /nfs/dbraw/zinc/36/80/13/565368013.db2.gz PYOQFYQIMNEGRZ-UHFFFAOYSA-N 1 0 381.295 2.965 20 0 GFADRO [NH3+]CC1(CCNC(=O)CCC[S@@](=O)c2ccc(Br)cc2)CC1 ZINC000593927046 565368765 /nfs/dbraw/zinc/36/87/65/565368765.db2.gz SYZIYCZOMUSHKB-JOCHJYFZSA-N 1 0 387.343 2.582 20 0 GFADRO CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662446079 565368856 /nfs/dbraw/zinc/36/88/56/565368856.db2.gz VSFRSCLHUKTZIR-AWEZNQCLSA-N 1 0 398.212 2.932 20 0 GFADRO CC(C)OC[C@H]([NH3+])C(=O)N1CCO[C@H](c2cc(F)c(Cl)cc2Cl)C1 ZINC000662450019 565368983 /nfs/dbraw/zinc/36/89/83/565368983.db2.gz ZEDBQURUZNYDPQ-GJZGRUSLSA-N 1 0 379.259 2.785 20 0 GFADRO O=C(c1cn([C@H]2CCC[NH2+]CC2)nn1)N1CCc2cc(Br)ccc21 ZINC000662468300 565370298 /nfs/dbraw/zinc/37/02/98/565370298.db2.gz CFJYUSPMEYRHKI-AWEZNQCLSA-N 1 0 390.285 2.558 20 0 GFADRO CCCCN(CCCC)S(=O)(=O)NCC(C)(C)[NH+]1CCC(OC)CC1 ZINC000594033841 565373008 /nfs/dbraw/zinc/37/30/08/565373008.db2.gz SHUAZEVSEIBQRP-UHFFFAOYSA-N 1 0 377.595 2.612 20 0 GFADRO O=C(c1sc2c(c1Br)CNC2)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000662522121 565374932 /nfs/dbraw/zinc/37/49/32/565374932.db2.gz KDGMFVJTWMVLOT-VXGBXAGGSA-N 1 0 398.370 2.966 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)[C@H](N)c1ccccc1Br)c1ccccc1 ZINC000662522584 565375155 /nfs/dbraw/zinc/37/51/55/565375155.db2.gz AUQDMSZQRLKQKO-IAGOWNOFSA-N 1 0 376.298 2.868 20 0 GFADRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)Nc2ccc(F)cc2I)C1 ZINC000594073347 565375450 /nfs/dbraw/zinc/37/54/50/565375450.db2.gz RWNWARLDKXPKKM-JGZJWPJOSA-N 1 0 391.228 2.892 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)C1([NH2+]C2CC2)CCC1 ZINC000662548688 565376021 /nfs/dbraw/zinc/37/60/21/565376021.db2.gz UWDRCWYSWKKUQW-UHFFFAOYSA-N 1 0 394.313 2.877 20 0 GFADRO C[C@H]1CC2(CN1C(=O)c1sc3c(c1Br)CNC3)CC[NH2+]CC2 ZINC000662580944 565377869 /nfs/dbraw/zinc/37/78/69/565377869.db2.gz VFTLRPQTSRKHIC-JTQLQIEISA-N 1 0 384.343 2.718 20 0 GFADRO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(C(=O)Cc2ccc(Br)cc2F)CC1 ZINC000662576067 565378336 /nfs/dbraw/zinc/37/83/36/565378336.db2.gz VVCXZMSKOMJSKF-SJLPKXTDSA-N 1 0 399.304 2.876 20 0 GFADRO CCOc1cc(Br)c(CC(=O)N(C)CC(C)(C)[NH3+])cc1OCC ZINC000662612262 565379291 /nfs/dbraw/zinc/37/92/91/565379291.db2.gz WTNQZAMZNRMJJN-UHFFFAOYSA-N 1 0 387.318 2.985 20 0 GFADRO O=C(c1cc([C@@H]2CC[NH2+]C2)n[nH]1)N1CCc2sc(Br)cc2C1 ZINC000662687363 565381810 /nfs/dbraw/zinc/38/18/10/565381810.db2.gz AOWFXIBSIIYAEY-SECBINFHSA-N 1 0 381.299 2.509 20 0 GFADRO COCC[C@@H](Cc1cccc(Br)c1)C(=O)N1CC2CC1(C[NH3+])C2 ZINC000662678733 565381854 /nfs/dbraw/zinc/38/18/54/565381854.db2.gz HUNYNHWFPQOVQM-CSLYMUCUSA-N 1 0 381.314 2.594 20 0 GFADRO Cc1c(Br)cccc1NC(=O)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000594361339 565382027 /nfs/dbraw/zinc/38/20/27/565382027.db2.gz AHNFKUKOQLTTMI-CQSZACIVSA-N 1 0 394.313 2.783 20 0 GFADRO COCC[C@@H](Cc1cccc(Br)c1)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000662717749 565382750 /nfs/dbraw/zinc/38/27/50/565382750.db2.gz FESBAYLLWXYZKL-CSLYMUCUSA-N 1 0 381.314 2.513 20 0 GFADRO O=C(N[C@H]1CCN(c2ccccc2Br)C1)C1([NH2+]C2CC2)CCC1 ZINC000662730281 565383099 /nfs/dbraw/zinc/38/30/99/565383099.db2.gz XMCYWFDHTYVESD-AWEZNQCLSA-N 1 0 378.314 2.819 20 0 GFADRO COC(=O)C[C@H](NC(=O)[C@@H]1C[C@@]12CCC[NH2+]C2)c1ccc(Br)cc1 ZINC000594429984 565383983 /nfs/dbraw/zinc/38/39/83/565383983.db2.gz XEVOGLACLDPVLC-RLFYNMQTSA-N 1 0 395.297 2.559 20 0 GFADRO CC(C)(C)n1cc(Br)c(C(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)n1 ZINC000662786262 565384329 /nfs/dbraw/zinc/38/43/29/565384329.db2.gz VVNIQAUOWUAJCA-OLZOCXBDSA-N 1 0 383.334 2.862 20 0 GFADRO O=C(N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662801688 565385357 /nfs/dbraw/zinc/38/53/57/565385357.db2.gz DYZUCGJCPILOCM-BMIGLBTASA-N 1 0 379.785 2.716 20 0 GFADRO O=C(N1CCO[C@H](c2c(F)cccc2Cl)C1)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662823407 565387103 /nfs/dbraw/zinc/38/71/03/565387103.db2.gz HVCAEXNWRJSJRJ-SWLSCSKDSA-N 1 0 380.769 2.921 20 0 GFADRO Cc1c(C[NH3+])c(NC(=O)c2cc(Br)cc(N3CCCC3)c2)nn1C ZINC000662835268 565387574 /nfs/dbraw/zinc/38/75/74/565387574.db2.gz HPIOGLROAMQMNK-UHFFFAOYSA-N 1 0 392.301 2.802 20 0 GFADRO C[NH2+]C[C@H](C)NC(=O)c1cnn(-c2ncc(Cl)cc2Cl)c1C(F)(F)F ZINC000662960000 565391116 /nfs/dbraw/zinc/39/11/16/565391116.db2.gz KLSOGAMCILOHRS-ZETCQYMHSA-N 1 0 396.200 2.931 20 0 GFADRO C[C@@H]([NH2+][C@@H]1CCc2c(nnn2C)C1)c1ccc(I)cc1 ZINC000594522728 565398328 /nfs/dbraw/zinc/39/83/28/565398328.db2.gz RUMWMBFWVHLIDB-ZWNOBZJWSA-N 1 0 382.249 2.628 20 0 GFADRO CC[C@@H]1CN(C(=O)c2ccc(-n3cc(Br)cn3)cc2)C[C@H](C)[NH2+]1 ZINC000620906503 565400694 /nfs/dbraw/zinc/40/06/94/565400694.db2.gz ZWMFPHSQAWZBLQ-SWLSCSKDSA-N 1 0 377.286 2.847 20 0 GFADRO O=C(NC[C@@H]1C[NH2+]CCO1)N1CCCC[C@@H]1Cc1ccccc1Br ZINC000642013771 565404327 /nfs/dbraw/zinc/40/43/27/565404327.db2.gz DTLWJACXYLRKIF-CVEARBPZSA-N 1 0 396.329 2.544 20 0 GFADRO Ic1ccc(Cn2cc(CC[NH+]3CCCCC3)nn2)cc1 ZINC000594656811 565404445 /nfs/dbraw/zinc/40/44/45/565404445.db2.gz FDNFURVVYQCUOA-UHFFFAOYSA-N 1 0 396.276 2.959 20 0 GFADRO C[C@@H]1CCN(c2ncnc3ccc(I)cc32)[C@H](C[NH3+])C1 ZINC000594697990 565408290 /nfs/dbraw/zinc/40/82/90/565408290.db2.gz FLBGFLWQHYWPOB-PWSUYJOCSA-N 1 0 382.249 2.798 20 0 GFADRO C[C@@H](NC1CC[NH+]([C@@H]2CCOC2)CC1)C(=O)Nc1ccc(Br)cc1 ZINC000663303884 565411863 /nfs/dbraw/zinc/41/18/63/565411863.db2.gz KZJIFGPGNIIXDG-CXAGYDPISA-N 1 0 396.329 2.619 20 0 GFADRO COC(=O)c1ccc(CNc2cc(N(C)C)c(Br)c[nH+]2)cc1F ZINC000594735721 565412711 /nfs/dbraw/zinc/41/27/11/565412711.db2.gz OKNXZFWIFCBPTH-UHFFFAOYSA-N 1 0 382.233 3.448 20 0 GFADRO Brc1ccccc1Cc1nnn(Cc2cccc3c2CC[NH2+]C3)n1 ZINC000663380040 565416087 /nfs/dbraw/zinc/41/60/87/565416087.db2.gz RDWSZERXWJRBTR-UHFFFAOYSA-N 1 0 384.281 2.720 20 0 GFADRO O=S(=O)(N[C@H]1CC[N@H+](CC2CC2)C1)c1ccc(OC(F)F)c(Cl)c1 ZINC000594769551 565418153 /nfs/dbraw/zinc/41/81/53/565418153.db2.gz JKOOUINEGICKIY-NSHDSACASA-N 1 0 380.844 2.704 20 0 GFADRO O=C(N[C@@H]1CCC[NH2+]CC1)C(=O)N(Cc1ccc(Cl)c(Cl)c1)C1CC1 ZINC000642981587 565419796 /nfs/dbraw/zinc/41/97/96/565419796.db2.gz AADCZSQRKSTZLZ-CYBMUJFWSA-N 1 0 384.307 2.743 20 0 GFADRO O=C(N[C@H]1CCC[NH2+]CC1)C(=O)N(Cc1ccc(Cl)c(Cl)c1)C1CC1 ZINC000642981588 565419807 /nfs/dbraw/zinc/41/98/07/565419807.db2.gz AADCZSQRKSTZLZ-ZDUSSCGKSA-N 1 0 384.307 2.743 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)NCC[NH+]1CCCCCC1 ZINC000643011782 565421028 /nfs/dbraw/zinc/42/10/28/565421028.db2.gz SHOIOLXNOAWCQR-UHFFFAOYSA-N 1 0 396.329 2.997 20 0 GFADRO CN(Cc1ccc(Cl)s1)C(=O)CN1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000643083071 565421148 /nfs/dbraw/zinc/42/11/48/565421148.db2.gz QABIMLNVDYDQMR-HOCLYGCPSA-N 1 0 385.961 2.578 20 0 GFADRO CS(=O)(=O)NCCC[NH2+][C@H]1CCCSc2ccc(Br)cc21 ZINC000663438954 565421515 /nfs/dbraw/zinc/42/15/15/565421515.db2.gz XAVWETXETCAQDG-ZDUSSCGKSA-N 1 0 393.372 2.905 20 0 GFADRO C[C@@H](C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1)c1cccc(Br)c1 ZINC000643229814 565426703 /nfs/dbraw/zinc/42/67/03/565426703.db2.gz RSZZPXSJWTYYGG-CXAGYDPISA-N 1 0 381.314 2.922 20 0 GFADRO COC(=O)c1scc(C)c1S(=O)(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000594854247 565430601 /nfs/dbraw/zinc/43/06/01/565430601.db2.gz GXNCYZSINDATHV-ZDUSSCGKSA-N 1 0 386.539 2.528 20 0 GFADRO C[NH+](C)CCC[C@H]1CN(C(=O)NCc2csc(Br)c2)CCO1 ZINC000663705349 565431504 /nfs/dbraw/zinc/43/15/04/565431504.db2.gz QLKFOZXDDHIBBC-ZDUSSCGKSA-N 1 0 390.347 2.763 20 0 GFADRO O=C(NCc1ccc(Cl)s1)NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000663697644 565431698 /nfs/dbraw/zinc/43/16/98/565431698.db2.gz ZLFPIDSSVMSXDS-OAHLLOKOSA-N 1 0 379.913 2.968 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)CC[C@H]1CCC[NH2+]C1 ZINC000621631106 565434196 /nfs/dbraw/zinc/43/41/96/565434196.db2.gz UMLUMUXRFYZLOU-CQSZACIVSA-N 1 0 396.329 2.982 20 0 GFADRO O=C(c1cc2c(cc1Br)OCO2)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000621659708 565435907 /nfs/dbraw/zinc/43/59/07/565435907.db2.gz PUWGXRCPZUDYOD-VXGBXAGGSA-N 1 0 381.270 2.640 20 0 GFADRO [NH3+][C@]12CCC[C@H]1CN(C(=O)CNC(=O)c1sc3ccccc3c1Cl)C2 ZINC000621682278 565437268 /nfs/dbraw/zinc/43/72/68/565437268.db2.gz CMQAGGFISKCHEW-VOJFVSQTSA-N 1 0 377.897 2.624 20 0 GFADRO CS(=O)(=O)CC1(CC[NH2+]Cc2ccc(I)cc2)CC1 ZINC000594954004 565437362 /nfs/dbraw/zinc/43/73/62/565437362.db2.gz VTTNTRFEMMCIDJ-UHFFFAOYSA-N 1 0 393.290 2.596 20 0 GFADRO COCCOCCC[NH2+][C@@H]1CCc2ccc(I)cc21 ZINC000595004306 565441448 /nfs/dbraw/zinc/44/14/48/565441448.db2.gz OTGKOQHLYRYFKR-OAHLLOKOSA-N 1 0 375.250 2.921 20 0 GFADRO [NH3+]CC[C@H](NC(=O)NCC(F)(F)c1ccc(Br)cc1)C(F)F ZINC000621848679 565444407 /nfs/dbraw/zinc/44/44/07/565444407.db2.gz DWHGKFYAKWXARW-JTQLQIEISA-N 1 0 386.187 2.823 20 0 GFADRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NCC(F)(F)c1ccc(Br)cc1 ZINC000621847643 565444445 /nfs/dbraw/zinc/44/44/45/565444445.db2.gz GWPHXIOTFMMHTA-ZWNOBZJWSA-N 1 0 376.245 2.838 20 0 GFADRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)NCC(F)(F)c1ccc(Br)cc1 ZINC000621851109 565444785 /nfs/dbraw/zinc/44/47/85/565444785.db2.gz LVYJCYURGJWLDD-MNOVXSKESA-N 1 0 376.245 2.920 20 0 GFADRO CC(C)[NH2+]C1(CO)CCN(c2ncnc3ccc(Br)cc32)CC1 ZINC000663958942 565445378 /nfs/dbraw/zinc/44/53/78/565445378.db2.gz YZZGNVBWYIZUEF-UHFFFAOYSA-N 1 0 379.302 2.722 20 0 GFADRO CC(C)(C[NH2+][C@H]1CCc2ccc(I)cc21)OCCO ZINC000595053197 565445674 /nfs/dbraw/zinc/44/56/74/565445674.db2.gz WVWGRAGPKCVGGP-AWEZNQCLSA-N 1 0 375.250 2.656 20 0 GFADRO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2cc3c(cc2Br)OCO3)C1 ZINC000621891031 565447562 /nfs/dbraw/zinc/44/75/62/565447562.db2.gz RHKJISFASVHHNZ-GFCCVEGCSA-N 1 0 383.286 2.982 20 0 GFADRO OCC1([NH2+]CC2CC2)CCN(c2ncnc3cc(Br)sc32)CC1 ZINC000663988368 565448150 /nfs/dbraw/zinc/44/81/50/565448150.db2.gz FLILEZJHJZKVHH-UHFFFAOYSA-N 1 0 397.342 2.785 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)c2cc(Br)c[nH]c2=O)C[N@@H+]1Cc1ccccc1 ZINC000621911020 565448615 /nfs/dbraw/zinc/44/86/15/565448615.db2.gz QNJTWUSMGRLBCP-DOMZBBRYSA-N 1 0 390.281 2.943 20 0 GFADRO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)c1cc(Br)c[nH]c1=O ZINC000621942275 565450654 /nfs/dbraw/zinc/45/06/54/565450654.db2.gz QKKZOKJDAHDLLL-UHFFFAOYSA-N 1 0 391.269 2.591 20 0 GFADRO C[NH+]1CCC(CC(=O)NCc2nnc(-c3ccc(Br)cc3)[nH]2)CC1 ZINC000643970856 565453081 /nfs/dbraw/zinc/45/30/81/565453081.db2.gz XYMHKUOJMXOOFA-UHFFFAOYSA-N 1 0 392.301 2.582 20 0 GFADRO O=C(N[C@H]1CC[N@@H+](C2CC2)C1)N1CCOC[C@@H]1c1ccc(Br)cc1 ZINC000664131126 565453715 /nfs/dbraw/zinc/45/37/15/565453715.db2.gz YFVNOFAZICWUIA-DOTOQJQBSA-N 1 0 394.313 2.769 20 0 GFADRO C[C@@H](C(=O)NCCCN1CCC[N@H+](C)CC1)c1cccc(Br)c1 ZINC000643985234 565453896 /nfs/dbraw/zinc/45/38/96/565453896.db2.gz MRNYNMKRAKRZEV-OAHLLOKOSA-N 1 0 382.346 2.696 20 0 GFADRO O=C(Nc1ccnn1Cc1ccc(Br)cc1)[C@@H]1C[NH2+]CCC1(F)F ZINC000643992350 565454412 /nfs/dbraw/zinc/45/44/12/565454412.db2.gz BVJLPZCSMINAMM-ZDUSSCGKSA-N 1 0 399.239 2.877 20 0 GFADRO COc1ccc(Br)cc1CN(C)C(=O)[C@H]1C[NH2+]CCC1(F)F ZINC000644008552 565454999 /nfs/dbraw/zinc/45/49/99/565454999.db2.gz DLEYGJQXDKQFCK-GFCCVEGCSA-N 1 0 377.229 2.661 20 0 GFADRO C[C@@H](CNC(=O)[C@H]1C[NH2+]CCC1(F)F)Oc1cccc(Br)c1 ZINC000644042931 565456193 /nfs/dbraw/zinc/45/61/93/565456193.db2.gz BQPQMXZSIVJHPW-GXFFZTMASA-N 1 0 377.229 2.577 20 0 GFADRO C[C@H]1CCCN(C(=O)c2ncc(Br)cc2Br)[C@@H]1C[NH3+] ZINC000644063551 565456420 /nfs/dbraw/zinc/45/64/20/565456420.db2.gz HXQJHKYTSDGKCR-GZMMTYOYSA-N 1 0 391.107 2.806 20 0 GFADRO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)Nc1ccc(I)cc1F ZINC000595234212 565456746 /nfs/dbraw/zinc/45/67/46/565456746.db2.gz GNEKNGVGMURALO-WPRPVWTQSA-N 1 0 395.191 2.594 20 0 GFADRO O=C(Nc1nccn1Cc1ccc(Br)cc1)[C@H]1C[NH2+]CCC1(F)F ZINC000644078008 565457295 /nfs/dbraw/zinc/45/72/95/565457295.db2.gz SOQBJINMTFZHMA-CYBMUJFWSA-N 1 0 399.239 2.877 20 0 GFADRO O=C(Nc1nccn1Cc1ccc(Br)cc1)[C@@H]1C[NH2+]CCC1(F)F ZINC000644078009 565457997 /nfs/dbraw/zinc/45/79/97/565457997.db2.gz SOQBJINMTFZHMA-ZDUSSCGKSA-N 1 0 399.239 2.877 20 0 GFADRO CCOC(=O)c1c(NC(=O)N2CC3CC2(C[NH3+])C3)sc2c1CCSC2 ZINC000595242533 565458335 /nfs/dbraw/zinc/45/83/35/565458335.db2.gz KSLWGKICGJHVGC-UHFFFAOYSA-N 1 0 381.523 2.669 20 0 GFADRO COc1ccc(Br)cc1CC(=O)NC[C@H]([NH3+])c1ccccc1OC ZINC000644091550 565459511 /nfs/dbraw/zinc/45/95/11/565459511.db2.gz XRYKFMSSALPQSH-HNNXBMFYSA-N 1 0 393.281 2.825 20 0 GFADRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1cc2c(cc1Br)OCO2 ZINC000622052488 565459630 /nfs/dbraw/zinc/45/96/30/565459630.db2.gz QJVKUZTVIDXYMK-RISCZKNCSA-N 1 0 381.270 2.877 20 0 GFADRO [NH3+][C@H]1CCC[C@H](CNC(=O)c2ncc(Br)cc2Br)C1 ZINC000644136414 565459982 /nfs/dbraw/zinc/45/99/82/565459982.db2.gz XIVGZTBZVOLQFT-WPRPVWTQSA-N 1 0 391.107 2.854 20 0 GFADRO CCc1ccc([C@H]2C[NH2+]CCN2C(=O)CCn2cc(Br)cn2)cc1 ZINC000644131459 565460011 /nfs/dbraw/zinc/46/00/11/565460011.db2.gz HHQJYNKJOWRNFK-QGZVFWFLSA-N 1 0 391.313 2.771 20 0 GFADRO COc1cc(Br)ccc1[C@@H](C)NC(=O)[C@@H]1C[NH2+]CCC1(F)F ZINC000644151235 565461625 /nfs/dbraw/zinc/46/16/25/565461625.db2.gz FETIMYYOMFITHG-SKDRFNHKSA-N 1 0 377.229 2.880 20 0 GFADRO [NH3+]C1(CNC(=O)c2cc(F)c(F)cc2I)CCCC1 ZINC000595942446 565500768 /nfs/dbraw/zinc/50/07/68/565500768.db2.gz XQVLUNHSUQOATE-UHFFFAOYSA-N 1 0 380.176 2.571 20 0 GFADRO CC[NH+]1CCN([C@@H]2CCN(Cc3ncc(Br)cc3Cl)C2)CC1 ZINC000595314608 565462859 /nfs/dbraw/zinc/46/28/59/565462859.db2.gz UJVNDZWDDBQTQA-CQSZACIVSA-N 1 0 387.753 2.709 20 0 GFADRO CCOC(=O)c1c(C)n[nH]c1CN[C@](C)(CO)c1ccc(Br)cc1 ZINC000595492792 565479097 /nfs/dbraw/zinc/47/90/97/565479097.db2.gz MVCUSHNOLSTZKN-QGZVFWFLSA-N 1 0 396.285 2.655 20 0 GFADRO O=C(NCCCCc1ccc(Cl)s1)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000664848995 565482356 /nfs/dbraw/zinc/48/23/56/565482356.db2.gz ZULSFYQSFCPPGV-OAHLLOKOSA-N 1 0 385.961 2.965 20 0 GFADRO O[C@H](C[NH2+][C@@H]1CCN(c2ccccn2)C1)COc1c(Cl)cccc1Cl ZINC000644608527 565484325 /nfs/dbraw/zinc/48/43/25/565484325.db2.gz WIRWHNKOAGQAAC-ZIAGYGMSSA-N 1 0 382.291 2.997 20 0 GFADRO [NH3+]C[C@H]1c2ccccc2CCN1C(=O)c1nc(C2CC2)ncc1Br ZINC000623066300 565492687 /nfs/dbraw/zinc/49/26/87/565492687.db2.gz DMKHEFJXHHAHSD-HNNXBMFYSA-N 1 0 387.281 2.815 20 0 GFADRO COC(=O)[C@@H](c1cccc(Cl)c1Cl)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000595864646 565495257 /nfs/dbraw/zinc/49/52/57/565495257.db2.gz VCKCPLPHYZFYFA-CXAGYDPISA-N 1 0 387.307 2.739 20 0 GFADRO CN(CC[NH+](C)C)c1ccc(Br)cc1NC(=O)c1ccc(=O)[nH]c1 ZINC000644834612 565496534 /nfs/dbraw/zinc/49/65/34/565496534.db2.gz BESVDVFAQSZZCA-UHFFFAOYSA-N 1 0 393.285 2.800 20 0 GFADRO Cc1c(C(=O)N2CC[C@H]3C[N@@H+](C)C[C@H]32)cnn1-c1ccc(Br)cc1 ZINC000644813024 565497042 /nfs/dbraw/zinc/49/70/42/565497042.db2.gz FGVRULISSXKORJ-SUMWQHHRSA-N 1 0 389.297 2.719 20 0 GFADRO CSCC[C@H]([NH3+])C(=O)NCc1cc(Cl)ccc1I ZINC000595938061 565500167 /nfs/dbraw/zinc/50/01/67/565500167.db2.gz KWKYMUKSPGKICJ-NSHDSACASA-N 1 0 398.697 2.641 20 0 GFADRO COc1cc2[nH+]ccc(N3CCC(CO)(OC)CC3)c2cc1Br ZINC000644876909 565500368 /nfs/dbraw/zinc/50/03/68/565500368.db2.gz UZVICMUGTYUSNZ-UHFFFAOYSA-N 1 0 381.270 2.984 20 0 GFADRO CN(CC(C)(C)[NH3+])C(=O)CCCOc1ccc(I)cc1 ZINC000595943247 565500937 /nfs/dbraw/zinc/50/09/37/565500937.db2.gz IBMFTUGUPCMETG-UHFFFAOYSA-N 1 0 390.265 2.646 20 0 GFADRO COC(=O)CC[C@@H]([NH3+])C(=O)N[C@H]1CCCCc2cc(Br)ccc21 ZINC000595947850 565501485 /nfs/dbraw/zinc/50/14/85/565501485.db2.gz INMDCQPRGSJVRU-CABCVRRESA-N 1 0 383.286 2.613 20 0 GFADRO CCC[NH+]1CCC(NC(=O)[C@@H]2CCO[C@H]2c2cncc(Br)c2)CC1 ZINC000665464852 565501893 /nfs/dbraw/zinc/50/18/93/565501893.db2.gz LTXHPRIHZYYCHO-SJORKVTESA-N 1 0 396.329 2.912 20 0 GFADRO C[NH2+][C@@H](CC(C)(C)C)C(=O)N[C@@H](C(=O)OC)c1ccccc1Br ZINC000595969038 565502746 /nfs/dbraw/zinc/50/27/46/565502746.db2.gz BHAIFEYJLGXVCK-UONOGXRCSA-N 1 0 385.302 2.804 20 0 GFADRO C[C@H]1CC[NH2+][C@H](C(=O)NCc2cc(Cl)ccc2I)C1 ZINC000595963386 565502792 /nfs/dbraw/zinc/50/27/92/565502792.db2.gz QIFNUSITMYGZNG-ZANVPECISA-N 1 0 392.668 2.949 20 0 GFADRO CCN(CCC[NH2+]Cc1cccc(F)c1OCC(F)(F)F)S(C)(=O)=O ZINC000623370645 565505266 /nfs/dbraw/zinc/50/52/66/565505266.db2.gz UOUTUMUZXKMYOH-UHFFFAOYSA-N 1 0 386.411 2.528 20 0 GFADRO CCOC(=O)[C@]1(C)CCC[C@@H]1[NH2+][C@H](C(N)=O)c1cccc(Br)c1 ZINC000596051078 565511083 /nfs/dbraw/zinc/51/10/83/565511083.db2.gz LLVVQZOFQOTPFU-GRDNDAEWSA-N 1 0 383.286 2.687 20 0 GFADRO C[N@@H+]1CCC[C@]2(CCN(S(=O)(=O)c3ccc(C(F)(F)F)c(F)c3)C2)C1 ZINC000645092945 565512399 /nfs/dbraw/zinc/51/23/99/565512399.db2.gz RALOWXGDQVMXFS-HNNXBMFYSA-N 1 0 380.407 2.951 20 0 GFADRO C[C@H]([NH2+]Cc1nn(C)cc1Br)C1CCN(CC(F)(F)F)CC1 ZINC000645142169 565514588 /nfs/dbraw/zinc/51/45/88/565514588.db2.gz LXUAQMZHCRDEJJ-JTQLQIEISA-N 1 0 383.256 2.935 20 0 GFADRO CCC(=O)N[C@@H]1CCC[N@H+](C[C@H](O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000623511114 565515646 /nfs/dbraw/zinc/51/56/46/565515646.db2.gz CXCRNGAUMSOZMV-OLZOCXBDSA-N 1 0 375.296 2.724 20 0 GFADRO COc1cc(C(=O)N2CCN(c3cc[nH+]cc3)CC2)ccc1Br ZINC000623533615 565516639 /nfs/dbraw/zinc/51/66/39/565516639.db2.gz IMPZPBJYDHFEMU-UHFFFAOYSA-N 1 0 376.254 2.815 20 0 GFADRO COc1ccc(CNC(=O)NC[C@H]2CCCC[N@H+](C)C2)cc1Br ZINC000623544876 565518262 /nfs/dbraw/zinc/51/82/62/565518262.db2.gz OPWBCOHFEQJQFG-CQSZACIVSA-N 1 0 384.318 2.989 20 0 GFADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@H](CO)[C@H](C)c1ccccc1 ZINC000666100308 565522951 /nfs/dbraw/zinc/52/29/51/565522951.db2.gz DEEYTEKCJLORAA-CKEIUWERSA-N 1 0 379.298 2.754 20 0 GFADRO Cc1cc(Br)cc(C[NH2+]C[C@H]2COCCN2C)c1OC(F)F ZINC000623712767 565526354 /nfs/dbraw/zinc/52/63/54/565526354.db2.gz KWLFOSUAWZFXOQ-ZDUSSCGKSA-N 1 0 379.245 2.779 20 0 GFADRO CCCOc1c(Br)cc(C[NH2+][C@@H]2CCOC[C@H]2O)cc1OCC ZINC000623764716 565528996 /nfs/dbraw/zinc/52/89/96/565528996.db2.gz JDMYZRNBHJLETM-HUUCEWRRSA-N 1 0 388.302 2.876 20 0 GFADRO CN(CC[NH2+]Cc1cc(Br)c2c(c1)OCCCO2)CC(F)F ZINC000623830874 565531730 /nfs/dbraw/zinc/53/17/30/565531730.db2.gz GKTKUZZBHOJJSE-UHFFFAOYSA-N 1 0 379.245 2.897 20 0 GFADRO Cc1ccc(Br)cc1[C@H](C)[NH2+]C1CCN(S(C)(=O)=O)CC1 ZINC000623859332 565533134 /nfs/dbraw/zinc/53/31/34/565533134.db2.gz KCRSAIYZQWRGCS-LBPRGKRZSA-N 1 0 375.332 2.832 20 0 GFADRO COc1cc(Br)ccc1CNC(=O)NC[C@H]1CCCC[N@H+](C)C1 ZINC000623907782 565535158 /nfs/dbraw/zinc/53/51/58/565535158.db2.gz DITOEFMCGJKTGY-CYBMUJFWSA-N 1 0 384.318 2.989 20 0 GFADRO O=S1(=O)CCC(O)(C[NH2+][C@@H]2CCCc3c4cc(Cl)ccc4[nH]c32)CC1 ZINC000623896934 565535382 /nfs/dbraw/zinc/53/53/82/565535382.db2.gz CUZSPEJHXLPXQA-MRXNPFEDSA-N 1 0 382.913 2.728 20 0 GFADRO CC(C)(C)[N@@H+]1C[C@@H](C(=O)N2CCOC[C@H]2C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000645534583 565536155 /nfs/dbraw/zinc/53/61/55/565536155.db2.gz AEHNCMZLWOISEY-MXWKQRLJSA-N 1 0 376.341 2.685 20 0 GFADRO CCC[C@@H](C[NH2+][C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1)OCC ZINC000624051270 565539553 /nfs/dbraw/zinc/53/95/53/565539553.db2.gz YABVKFZOEWUNIA-AAEUAGOBSA-N 1 0 393.347 2.952 20 0 GFADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@@H](n1cccn1)C(F)(F)F ZINC000624044289 565540230 /nfs/dbraw/zinc/54/02/30/565540230.db2.gz MGIJSLFQTHDHJX-ZYHUDNBSSA-N 1 0 393.207 2.589 20 0 GFADRO CCOC(=O)C[C@H](NC(=O)NC[C@H](c1ccsc1)[NH+](C)C)C(F)(F)F ZINC000597023356 565548482 /nfs/dbraw/zinc/54/84/82/565548482.db2.gz SFBABVAMZNCBFE-NEPJUHHUSA-N 1 0 381.420 2.534 20 0 GFADRO Cn1cc(Br)c(=O)c(NC(=O)N2CC[NH+](C3CCCCC3)CC2)c1 ZINC000666693577 565549833 /nfs/dbraw/zinc/54/98/33/565549833.db2.gz WCBJEBHKQHSBDI-UHFFFAOYSA-N 1 0 397.317 2.630 20 0 GFADRO CC[NH+]1CCC(N2CCCN(c3ncc(Br)cc3F)CC2)CC1 ZINC000624288204 565550174 /nfs/dbraw/zinc/55/01/74/565550174.db2.gz BXOISJRHVFEZHI-UHFFFAOYSA-N 1 0 385.325 2.980 20 0 GFADRO O[C@H]1CCN(CC[NH2+][C@H](c2cccc(Br)c2)C2CCOCC2)C1 ZINC000624338073 565551419 /nfs/dbraw/zinc/55/14/19/565551419.db2.gz STGVDYMWTWQTQL-ROUUACIJSA-N 1 0 383.330 2.573 20 0 GFADRO COC(=O)C1(C[NH2+]Cc2cc(Cl)ccc2I)CC1 ZINC000597086424 565551939 /nfs/dbraw/zinc/55/19/39/565551939.db2.gz PGIKFMKOGFLTMO-UHFFFAOYSA-N 1 0 379.625 2.987 20 0 GFADRO Cc1cc(Br)c(F)cc1S(=O)(=O)N1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000624352097 565552426 /nfs/dbraw/zinc/55/24/26/565552426.db2.gz ICFMNYFTHUPORI-GXFFZTMASA-N 1 0 379.295 2.787 20 0 GFADRO O=S(=O)(Cc1ccc(Br)cc1Cl)N[C@H]1CC[NH2+]C12CCC2 ZINC000624379296 565553738 /nfs/dbraw/zinc/55/37/38/565553738.db2.gz IDWLLWNTJBMGSS-ZDUSSCGKSA-N 1 0 393.734 2.807 20 0 GFADRO [NH3+]C[C@H]1CN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC[C@H]1C(F)(F)F ZINC000624389504 565554665 /nfs/dbraw/zinc/55/46/65/565554665.db2.gz CJKHPXRNMWEGEJ-GOEBONIOSA-N 1 0 376.444 2.713 20 0 GFADRO CCCOc1ccc(S(=O)(=O)N2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1 ZINC000624390569 565554839 /nfs/dbraw/zinc/55/48/39/565554839.db2.gz DNPYMMKXUGBLSO-WFASDCNBSA-N 1 0 380.432 2.623 20 0 GFADRO CCCOc1ccc(Br)cc1S(=O)(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000624404348 565555940 /nfs/dbraw/zinc/55/59/40/565555940.db2.gz NRSKVZSXLSDPRP-AAEUAGOBSA-N 1 0 391.331 2.657 20 0 GFADRO Cc1ccc(Br)c(NC(=O)C(=O)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)c1 ZINC000645819763 565565101 /nfs/dbraw/zinc/56/51/01/565565101.db2.gz WDAJXEZVDURGKJ-SFHVURJKSA-N 1 0 394.313 2.640 20 0 GFADRO Cc1cc(NC(=O)C(=O)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)ccc1Br ZINC000645819998 565565250 /nfs/dbraw/zinc/56/52/50/565565250.db2.gz CWEQSOBBULZYMT-SFHVURJKSA-N 1 0 394.313 2.640 20 0 GFADRO C[C@H]([NH2+]C1CC1)C(=O)N1CCC(C(=O)Nc2cccc(Br)c2)CC1 ZINC000645841713 565567683 /nfs/dbraw/zinc/56/76/83/565567683.db2.gz FFHOHQGUSXAMQP-LBPRGKRZSA-N 1 0 394.313 2.767 20 0 GFADRO C[NH+](C)C1(C(=O)N2CC[C@H](Cc3cccc(I)c3)C2)CC1 ZINC000597712249 565572128 /nfs/dbraw/zinc/57/21/28/565572128.db2.gz MPIAASMMRZHZKB-CQSZACIVSA-N 1 0 398.288 2.776 20 0 GFADRO CN1CCOC[C@H]1CNC(=O)N(Cc1cccc(Br)c1)CC1CC1 ZINC000624727955 565573251 /nfs/dbraw/zinc/57/32/51/565573251.db2.gz CCGVRADVGITLDC-QGZVFWFLSA-N 1 0 396.329 2.701 20 0 GFADRO C[NH+](C)CCC[C@H]1CN(C(=O)Nc2nc(CC(F)(F)F)cs2)CCO1 ZINC000667158704 565573318 /nfs/dbraw/zinc/57/33/18/565573318.db2.gz GKTRHYMITSNTEO-LBPRGKRZSA-N 1 0 380.436 2.822 20 0 GFADRO C[C@H]([NH3+])[C@H]1CN(C(=O)Nc2cc(Br)ccc2N2CCCC2)CCO1 ZINC000667225148 565578029 /nfs/dbraw/zinc/57/80/29/565578029.db2.gz QTJUWLIKBMOSCH-BLLLJJGKSA-N 1 0 397.317 2.629 20 0 GFADRO O=C(NC[C@@H]1CCCC[NH2+]1)C(=O)Nc1ccc(Br)c2ccccc12 ZINC000667262385 565579994 /nfs/dbraw/zinc/57/99/94/565579994.db2.gz BSFWCRKJRJMITI-LBPRGKRZSA-N 1 0 390.281 2.799 20 0 GFADRO C[N@@H+]1CC[C@@H](C(=O)NCc2cc(Cl)ccc2I)C1 ZINC000597899028 565580883 /nfs/dbraw/zinc/58/08/83/565580883.db2.gz WBCGHOPHKWUFPG-SECBINFHSA-N 1 0 378.641 2.513 20 0 GFADRO C[NH+]1CCN(c2ccc(Br)cc2NC(=O)Cc2cscn2)CC1 ZINC000667350374 565582240 /nfs/dbraw/zinc/58/22/40/565582240.db2.gz FBECYZKUQQITAZ-UHFFFAOYSA-N 1 0 395.326 2.839 20 0 GFADRO C[N@H+](CCC(C)(C)C)CC(=O)NCC(=O)Nc1ccccc1Br ZINC000646028240 565582360 /nfs/dbraw/zinc/58/23/60/565582360.db2.gz WLUPAOASGMWQCF-UHFFFAOYSA-N 1 0 384.318 2.872 20 0 GFADRO COCCOc1ccc(Br)cc1NC(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000667339962 565582358 /nfs/dbraw/zinc/58/23/58/565582358.db2.gz QFRMYKLSGNRLCS-ZDUSSCGKSA-N 1 0 386.290 2.738 20 0 GFADRO CC[NH+](CC)CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[C@@H]1CC(=O)N1 ZINC000667430222 565586509 /nfs/dbraw/zinc/58/65/09/565586509.db2.gz HYKZBLRQTXOTBN-AWEZNQCLSA-N 1 0 386.323 2.942 20 0 GFADRO C[C@H](C(=O)Nc1ccccc1Br)N1CCOC2(CC[NH+](C)CC2)C1 ZINC000646103223 565586799 /nfs/dbraw/zinc/58/67/99/565586799.db2.gz KHGNXHYSBTYZJL-CQSZACIVSA-N 1 0 396.329 2.573 20 0 GFADRO COc1cc(NC(=O)NC[C@@H](C)[NH3+])c(Br)cc1Br ZINC000667472610 565588934 /nfs/dbraw/zinc/58/89/34/565588934.db2.gz NMBBKEDKSYAWDO-ZCFIWIBFSA-N 1 0 381.068 2.689 20 0 GFADRO CCN(C(=O)c1cc(I)ccc1O)[C@@H]1CC[N@H+](CC)C1 ZINC000598038406 565589408 /nfs/dbraw/zinc/58/94/08/565589408.db2.gz CMLBTNPUAPXTJG-GFCCVEGCSA-N 1 0 388.249 2.553 20 0 GFADRO COc1cccc(OC(F)(F)F)c1S(=O)(=O)N(C)CCCC[NH+](C)C ZINC000625042458 565592924 /nfs/dbraw/zinc/59/29/24/565592924.db2.gz JKVGQUWVCGNESP-UHFFFAOYSA-N 1 0 384.420 2.556 20 0 GFADRO O=C(Nc1cc(C(F)(F)F)ccc1Cl)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000667538367 565593149 /nfs/dbraw/zinc/59/31/49/565593149.db2.gz CDGNCEMKLGTDOE-TVQRCGJNSA-N 1 0 375.778 2.508 20 0 GFADRO O=C(Nc1cnn(-c2ccccc2Br)c1)[C@@H]1CC12CC[NH2+]CC2 ZINC000646270936 565593226 /nfs/dbraw/zinc/59/32/26/565593226.db2.gz YWOFHGJTBYUKIE-ZDUSSCGKSA-N 1 0 375.270 2.963 20 0 GFADRO CC[C@H]1CN(C(=O)C(=O)Nc2cc(Cl)ccc2Br)CC[C@H]1[NH3+] ZINC000667550445 565594497 /nfs/dbraw/zinc/59/44/97/565594497.db2.gz MIBVUNRVMWHMJU-JOYOIKCWSA-N 1 0 388.693 2.627 20 0 GFADRO CC1(CNC(=O)Nc2ccc3nccnc3c2Br)CC[NH2+]CC1 ZINC000667590745 565595219 /nfs/dbraw/zinc/59/52/19/565595219.db2.gz ZIEVWMQSCAKHLC-UHFFFAOYSA-N 1 0 378.274 2.904 20 0 GFADRO C[C@H]([NH3+])[C@H]1CN(C(=O)Nc2nc3c(cccc3Br)s2)CCO1 ZINC000667595268 565595678 /nfs/dbraw/zinc/59/56/78/565595678.db2.gz SZQNTKOITCEPJB-WCBMZHEXSA-N 1 0 385.287 2.639 20 0 GFADRO CN(CC1C[NH+](C)C1)C(=O)c1ccc(Cl)c(I)c1 ZINC000598162528 565596763 /nfs/dbraw/zinc/59/67/63/565596763.db2.gz JEPPGJQZIOHRSZ-UHFFFAOYSA-N 1 0 378.641 2.578 20 0 GFADRO O=C([C@@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000646337576 565597811 /nfs/dbraw/zinc/59/78/11/565597811.db2.gz HGOVRQGJXXIACP-HWWQOWPSSA-N 1 0 382.291 2.557 20 0 GFADRO O=C(Nc1ccn(-c2ccc(Br)cc2)n1)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000667639579 565598376 /nfs/dbraw/zinc/59/83/76/565598376.db2.gz XCBBQALFDLLWNJ-WFASDCNBSA-N 1 0 390.285 2.851 20 0 GFADRO CC(C)[C@@H](NC(=O)c1ccccc1Br)C(=O)NC[C@@H](C)C[NH+](C)C ZINC000646373237 565600927 /nfs/dbraw/zinc/60/09/27/565600927.db2.gz CVRRLGKJMPEUTE-CZUORRHYSA-N 1 0 398.345 2.517 20 0 GFADRO CN1CC[NH+](CC2CN(C(=O)[C@@H]3C[C@H]3c3cc(Cl)cc(Cl)c3)C2)CC1 ZINC000646460791 565604134 /nfs/dbraw/zinc/60/41/34/565604134.db2.gz LDSHRALOXONIHX-ZWKOTPCHSA-N 1 0 382.335 2.803 20 0 GFADRO O=C(NCCOc1ncc(Cl)cc1Cl)Nc1cnc2c(c1)C[NH2+]CC2 ZINC000667799344 565606715 /nfs/dbraw/zinc/60/67/15/565606715.db2.gz SPKQSLMQHSHWKU-UHFFFAOYSA-N 1 0 382.251 2.630 20 0 GFADRO Cn1ccnc1[C@H]1CC[N@@H+]([C@H]2CCc3cc(Br)ccc3NC2=O)C1 ZINC000625265907 565613693 /nfs/dbraw/zinc/61/36/93/565613693.db2.gz KPQQBCDADBGDBH-BBRMVZONSA-N 1 0 389.297 2.925 20 0 GFADRO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCN(c2cc(Cl)ccc2Cl)C1=O ZINC000646779239 565619107 /nfs/dbraw/zinc/61/91/07/565619107.db2.gz OBXBNVQXVPTELS-CORIIIEPSA-N 1 0 384.307 2.980 20 0 GFADRO Cc1cc(C)c(C(=O)N[C@H](C)CN2CC[NH+](C)CC2)c(C)c1Br ZINC000625334957 565619995 /nfs/dbraw/zinc/61/99/95/565619995.db2.gz QSIGBDXTYSKBKV-CQSZACIVSA-N 1 0 382.346 2.740 20 0 GFADRO O=C(Nc1nc(N2CC[NH2+]CC2)n[nH]1)c1sc2cccc(Cl)c2c1Cl ZINC000646800889 565620486 /nfs/dbraw/zinc/62/04/86/565620486.db2.gz FRNXUZMKUIGHAK-UHFFFAOYSA-N 1 0 397.291 2.988 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CN(C(=O)CCc2nc3cc(Br)ccc3s2)CCO1 ZINC000646841462 565621877 /nfs/dbraw/zinc/62/18/77/565621877.db2.gz XOHWNLMHUMTTEA-ZWNOBZJWSA-N 1 0 398.326 2.566 20 0 GFADRO O=S(=O)(NC[C@H]1CC[N@@H+]1C1CCCCC1)c1ncccc1C(F)(F)F ZINC000625368470 565622918 /nfs/dbraw/zinc/62/29/18/565622918.db2.gz WGXAQPHBRBBDEJ-CYBMUJFWSA-N 1 0 377.432 2.786 20 0 GFADRO CN(C(=O)c1c2ccc(Br)cc2nn1C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000646873362 565624261 /nfs/dbraw/zinc/62/42/61/565624261.db2.gz VRZFFGMKBIFKTH-FUNVUKJBSA-N 1 0 377.286 2.691 20 0 GFADRO COCC[N@@H+]1CC[C@H](NC(=O)Nc2ccc(F)c(Br)c2F)C1 ZINC000668044157 565624681 /nfs/dbraw/zinc/62/46/81/565624681.db2.gz JAMXAZIZAGFMNZ-VIFPVBQESA-N 1 0 378.217 2.570 20 0 GFADRO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C1 ZINC000646917948 565625246 /nfs/dbraw/zinc/62/52/46/565625246.db2.gz KDHDHRLGBIICHA-RBOXIYTFSA-N 1 0 382.291 2.509 20 0 GFADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)c1cc2cc(Br)sc2[nH]1 ZINC000646960016 565630156 /nfs/dbraw/zinc/63/01/56/565630156.db2.gz PHSPHWIBUQQODU-NSHDSACASA-N 1 0 399.358 2.748 20 0 GFADRO C[N@@H+]1CCCC[C@H](CNS(=O)(=O)Cc2cccc(Br)c2)C1 ZINC000625424719 565630195 /nfs/dbraw/zinc/63/01/95/565630195.db2.gz KCYMRJSJZBPJIB-CQSZACIVSA-N 1 0 375.332 2.600 20 0 GFADRO COc1ccc(CCC(=O)NCCN2CCOCC2(C)C)c(Br)c1 ZINC000668170243 565630956 /nfs/dbraw/zinc/63/09/56/565630956.db2.gz IPONIIDPWSGLOO-UHFFFAOYSA-N 1 0 399.329 2.617 20 0 GFADRO COCCN(Cc1ccc(-c2scnc2C)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000668170674 565631242 /nfs/dbraw/zinc/63/12/42/565631242.db2.gz WWLPOSUYABYALL-QGZVFWFLSA-N 1 0 380.535 2.754 20 0 GFADRO CC1([NH3+])CCN(C(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000646995619 565631389 /nfs/dbraw/zinc/63/13/89/565631389.db2.gz FOAYERIVDZAPJZ-HNNXBMFYSA-N 1 0 384.307 2.938 20 0 GFADRO CC[C@@H]1CN(C(=O)[C@H]2CC(=O)N(c3cc(Cl)cc(Cl)c3)C2)CC[C@H]1[NH3+] ZINC000647010705 565632034 /nfs/dbraw/zinc/63/20/34/565632034.db2.gz VOQRCJOWIZQWHK-BFQNTYOBSA-N 1 0 384.307 2.932 20 0 GFADRO CC[C@H]1CN(C(=O)c2cc(=O)[nH]c3c(Br)cccc23)CC[C@@H]1[NH3+] ZINC000647007665 565632210 /nfs/dbraw/zinc/63/22/10/565632210.db2.gz FLBCVBMJNPBOOU-HZMBPMFUSA-N 1 0 378.270 2.902 20 0 GFADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)c1cc2cc(Br)ccc2s1 ZINC000625476831 565632415 /nfs/dbraw/zinc/63/24/15/565632415.db2.gz PLDNPLHOLUCVLA-CYBMUJFWSA-N 1 0 382.327 2.639 20 0 GFADRO CC[C@@H]1CN(C(=O)[C@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)CC[C@@H]1[NH3+] ZINC000647012265 565632505 /nfs/dbraw/zinc/63/25/05/565632505.db2.gz QUIAUGWOYULYGC-KYOSRNDESA-N 1 0 384.307 2.932 20 0 GFADRO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)c1ccc(Br)cc1Br ZINC000647036019 565633267 /nfs/dbraw/zinc/63/32/67/565633267.db2.gz NXPNHRNBUGLBQR-UWVGGRQHSA-N 1 0 394.082 2.984 20 0 GFADRO [NH3+]CC[C@@H]1CCCN(C(=O)CNC(=O)c2sc3ccccc3c2Cl)C1 ZINC000647026691 565633352 /nfs/dbraw/zinc/63/33/52/565633352.db2.gz FLPXNJSSIPMLAJ-LBPRGKRZSA-N 1 0 379.913 2.872 20 0 GFADRO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)[C@@H](C)Cc1ccc(F)c(Br)c1 ZINC000647035931 565633578 /nfs/dbraw/zinc/63/35/78/565633578.db2.gz JJYMZJYPUWSGRG-DRZSPHRISA-N 1 0 375.257 2.925 20 0 GFADRO [NH3+]C[C@H]1CC[C@H](CNC(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CC2)CC1 ZINC000647047093 565634655 /nfs/dbraw/zinc/63/46/55/565634655.db2.gz GLBTXIUDEFYVKP-HDJSIYSDSA-N 1 0 384.929 2.528 20 0 GFADRO [NH3+][C@@H]1CCO[C@@H](C2CCN(C(=O)c3ccc(Br)c(O)c3)CC2)C1 ZINC000647089798 565636565 /nfs/dbraw/zinc/63/65/65/565636565.db2.gz SOBBJKHOZUGHKI-CZUORRHYSA-N 1 0 383.286 2.513 20 0 GFADRO C[C@@H](CC(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1)n1cc(Br)cn1 ZINC000647091659 565636779 /nfs/dbraw/zinc/63/67/79/565636779.db2.gz ZIIMVIRXKLPHIR-HZUKXOBISA-N 1 0 395.276 2.689 20 0 GFADRO C[S@](=O)[C@H]1CCC[C@@H](NC(=O)[C@@H]2C[N@@H+](C(C)(C)C)C[C@H]2C(F)(F)F)C1 ZINC000598751862 565639573 /nfs/dbraw/zinc/63/95/73/565639573.db2.gz HUVHAJIKRUIRRE-PQDNESRCSA-N 1 0 382.492 2.701 20 0 GFADRO O=S1(=O)CC[C@@H](C[NH2+]Cc2cc(OC(F)F)ccc2Br)C1 ZINC000647169435 565642675 /nfs/dbraw/zinc/64/26/75/565642675.db2.gz MPCBWJVUFNNPIC-VIFPVBQESA-N 1 0 384.242 2.575 20 0 GFADRO COc1ncncc1C[NH2+]C[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000647174742 565644513 /nfs/dbraw/zinc/64/45/13/565644513.db2.gz LHBMAZFFPZUVJC-ZDUSSCGKSA-N 1 0 377.286 2.864 20 0 GFADRO C[NH+](C)CCn1ccc(NCc2cc(OC(F)F)ccc2Br)n1 ZINC000647191107 565646299 /nfs/dbraw/zinc/64/62/99/565646299.db2.gz CRELFHIJWRYNMS-UHFFFAOYSA-N 1 0 389.244 3.421 20 0 GFADRO OC[C@@H](C[NH2+]Cc1cc(OC(F)F)ccc1Br)[C@H]1CCOC1 ZINC000647208608 565646415 /nfs/dbraw/zinc/64/64/15/565646415.db2.gz XWPRBWAGSFKKMZ-CMPLNLGQSA-N 1 0 380.229 2.785 20 0 GFADRO COCC[N@@H+]1CC[C@@H](NC(=O)c2cc(-c3ccc(Br)cc3)no2)C1 ZINC000668435884 565647638 /nfs/dbraw/zinc/64/76/38/565647638.db2.gz QTPXWXAFIJPKCB-CQSZACIVSA-N 1 0 394.269 2.555 20 0 GFADRO Brc1cc(C[N@@H+]2CC[C@H](Cn3ccnn3)C2)cc2c1OCCCO2 ZINC000668451002 565647721 /nfs/dbraw/zinc/64/77/21/565647721.db2.gz CZWWAIOYEWLANZ-ZDUSSCGKSA-N 1 0 393.285 2.724 20 0 GFADRO OCCO[C@@]1(C[NH2+]C2CC(c3ccc(Br)cc3F)C2)CCOC1 ZINC000668490855 565649969 /nfs/dbraw/zinc/64/99/69/565649969.db2.gz ZOCLJDZUMWPWDY-MKTAYPAQSA-N 1 0 388.277 2.592 20 0 GFADRO O=S(=O)(Cc1ccc(Cl)cc1Br)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000647264761 565650327 /nfs/dbraw/zinc/65/03/27/565650327.db2.gz QTAAMLNWVOHMGY-QMTHXVAHSA-N 1 0 393.734 2.616 20 0 GFADRO Cc1cc(C[NH2+]C[C@@H](O)COc2ccc(I)cc2)ccn1 ZINC000598960234 565651418 /nfs/dbraw/zinc/65/14/18/565651418.db2.gz CMOJSNZWMSSZKX-OAHLLOKOSA-N 1 0 398.244 2.524 20 0 GFADRO CCOc1ccc(S(=O)(=O)N2CC[C@@H]([NH3+])[C@H](CC)C2)cc1Br ZINC000647268765 565652022 /nfs/dbraw/zinc/65/20/22/565652022.db2.gz HGQQDLAURZPLFE-BXUZGUMPSA-N 1 0 391.331 2.596 20 0 GFADRO [NH3+][C@H]1C[C@@H](NS(=O)(=O)c2ccc(-c3ccc(Br)cc3)cc2)C1 ZINC000647272154 565653316 /nfs/dbraw/zinc/65/33/16/565653316.db2.gz AVMGAKIQGHIYJM-GASCZTMLSA-N 1 0 381.295 2.884 20 0 GFADRO CN(C)C(=O)CN(CC[NH+](C)C)Cc1ccc(Br)cc1Cl ZINC000668558704 565654214 /nfs/dbraw/zinc/65/42/14/565654214.db2.gz PECDDSBZMXJTHK-UHFFFAOYSA-N 1 0 376.726 2.554 20 0 GFADRO O=S(=O)(c1cccc(Br)c1)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647306817 565655394 /nfs/dbraw/zinc/65/53/94/565655394.db2.gz JYJCOCHIFVGIRN-UONOGXRCSA-N 1 0 387.343 2.849 20 0 GFADRO CS(=O)(=O)[C@@H]1CCC[C@@H]([NH2+][C@@H]2Cc3ccccc3O[C@H]2C(F)(F)F)C1 ZINC000625744665 565656880 /nfs/dbraw/zinc/65/68/80/565656880.db2.gz PRRSAJIZLIWEJR-IXYNUQLISA-N 1 0 377.428 2.866 20 0 GFADRO COC[C@H](C)OC[C@@H](O)C[NH2+][C@@H](C)c1cc(F)c(Br)cc1F ZINC000625749902 565657275 /nfs/dbraw/zinc/65/72/75/565657275.db2.gz AVMDMYBSZDDPIB-DCAQKATOSA-N 1 0 382.245 2.790 20 0 GFADRO OC[C@]1([NH2+]Cc2cn3cccnc3n2)CCc2cc(Br)ccc2C1 ZINC000625794268 565659580 /nfs/dbraw/zinc/65/95/80/565659580.db2.gz FWFVXYKUYIPEFF-SFHVURJKSA-N 1 0 387.281 2.501 20 0 GFADRO COc1cc(Br)ccc1[C@@H]1CCC[N@@H+]1C[C@@H](O)Cn1cccn1 ZINC000625791549 565659776 /nfs/dbraw/zinc/65/97/76/565659776.db2.gz GGONLOPZHKIZTK-ZBFHGGJFSA-N 1 0 380.286 2.852 20 0 GFADRO O=S(=O)(CC[NH2+]C[C@H](CO)c1ccccc1)c1cccc(Br)c1 ZINC000647524499 565662636 /nfs/dbraw/zinc/66/26/36/565662636.db2.gz PKBDCEJVVBOYKE-OAHLLOKOSA-N 1 0 398.322 2.589 20 0 GFADRO CC[C@H]([NH2+]C[C@@H](O)COc1cccc(C(F)(F)F)c1)[C@@H](O)C(F)(F)F ZINC000647529432 565662749 /nfs/dbraw/zinc/66/27/49/565662749.db2.gz COUONEJRVMVODE-KGYLQXTDSA-N 1 0 375.309 2.737 20 0 GFADRO CCC(CC)[C@H](O)C[NH2+]C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000647523839 565662896 /nfs/dbraw/zinc/66/28/96/565662896.db2.gz MSWGDUGJIGOZPN-GOEBONIOSA-N 1 0 378.282 2.715 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000625870081 565663527 /nfs/dbraw/zinc/66/35/27/565663527.db2.gz CUNGRPPPDZPRSJ-AWEZNQCLSA-N 1 0 382.302 2.734 20 0 GFADRO CC(=O)N[C@@H](CC(=O)N[C@@H]1CCC[C@H]1[NH+](C)C)c1ccc(Br)cc1 ZINC000647616893 565666637 /nfs/dbraw/zinc/66/66/37/565666637.db2.gz BGMNXBDYNLPJSQ-IXDOHACOSA-N 1 0 396.329 2.615 20 0 GFADRO C[NH+](C)[C@]1(CNC(=O)[C@@H]2[C@@H]3Cc4c(cccc4Br)[C@@H]32)CCSC1 ZINC000625984888 565668200 /nfs/dbraw/zinc/66/82/00/565668200.db2.gz TUNBVWDLEUFXRN-VUNQQRPYSA-N 1 0 395.366 2.888 20 0 GFADRO NS(=O)(=O)NC1CC[NH+](CCCCc2ccc(Cl)c(Cl)c2)CC1 ZINC000626035268 565670509 /nfs/dbraw/zinc/67/05/09/565670509.db2.gz JAQWCKTVVDSFKP-UHFFFAOYSA-N 1 0 380.341 2.574 20 0 GFADRO COCC[N@H+](C)C[C@@H](O)CN1CCC[C@@H]1c1ccc(Br)cc1C ZINC000626010254 565671216 /nfs/dbraw/zinc/67/12/16/565671216.db2.gz MAIHGBSPYCYYMS-SJLPKXTDSA-N 1 0 385.346 2.834 20 0 GFADRO COCC[N@H+](C)C[C@H](O)CN1CCC[C@H]1c1ccc(Br)cc1C ZINC000626010255 565671396 /nfs/dbraw/zinc/67/13/96/565671396.db2.gz MAIHGBSPYCYYMS-WMZOPIPTSA-N 1 0 385.346 2.834 20 0 GFADRO O=C(c1cc(Cl)cc(F)c1Br)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000647707666 565671621 /nfs/dbraw/zinc/67/16/21/565671621.db2.gz BIKYDGINOOHQRT-WDEREUQCSA-N 1 0 391.668 2.523 20 0 GFADRO C[C@H]1C[C@@H](c2ccc(Br)cc2)C[N@@H+]1CCC(=O)N1CCOCC1 ZINC000626040105 565672899 /nfs/dbraw/zinc/67/28/99/565672899.db2.gz XHJLWEQAAXVVMR-GOEBONIOSA-N 1 0 381.314 2.876 20 0 GFADRO C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000599400400 565676021 /nfs/dbraw/zinc/67/60/21/565676021.db2.gz NIBKAXSWKKIPJB-RHSMWYFYSA-N 1 0 380.330 2.876 20 0 GFADRO CC[C@@H](C(=O)N1CC[C@@H](Oc2cncc(Br)c2)C1)[NH+](CC)CC ZINC000647792756 565677194 /nfs/dbraw/zinc/67/71/94/565677194.db2.gz WEMJLZLUHRTROL-ZBFHGGJFSA-N 1 0 384.318 2.944 20 0 GFADRO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)Cc1csc(NC(=O)c2cccs2)n1 ZINC000647832262 565679273 /nfs/dbraw/zinc/67/92/73/565679273.db2.gz XBTIRZOIVWCQQU-YPMHNXCESA-N 1 0 378.523 2.550 20 0 GFADRO CC(=O)NC[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1ccccc1Br ZINC000626157657 565679622 /nfs/dbraw/zinc/67/96/22/565679622.db2.gz YUGMOUSTWNWETG-AWEZNQCLSA-N 1 0 382.302 2.768 20 0 GFADRO CNS(=O)(=O)C[C@H]1CCC[N@H+](CCCc2ccc(C(F)(F)F)cc2)C1 ZINC000626167780 565680999 /nfs/dbraw/zinc/68/09/99/565680999.db2.gz CLNMLQTWRZGQLZ-HNNXBMFYSA-N 1 0 378.460 2.899 20 0 GFADRO C[NH2+]C[C@@H]1C[C@H](F)CN1Cc1nc(Cc2cccc(Br)c2)no1 ZINC000647959313 565684722 /nfs/dbraw/zinc/68/47/22/565684722.db2.gz KHZMPIAHLCBTEN-KBPBESRZSA-N 1 0 383.265 2.555 20 0 GFADRO Nc1n[nH]c(C2CC[NH+](Cc3cc(Br)cc4cccnc43)CC2)n1 ZINC000647932310 565684743 /nfs/dbraw/zinc/68/47/43/565684743.db2.gz XSHUMDHZCLLYBN-UHFFFAOYSA-N 1 0 387.285 3.077 20 0 GFADRO COC1(C(=O)NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)CC[NH2+]CC1 ZINC000647975514 565685965 /nfs/dbraw/zinc/68/59/65/565685965.db2.gz BGAXITIWXVDKNX-NXEZZACHSA-N 1 0 376.341 2.781 20 0 GFADRO C[C@@H](NC(=O)N[C@@H]1CCC[NH2+]CC1)c1cc2c(cc1Br)OCCO2 ZINC000669399096 565686761 /nfs/dbraw/zinc/68/67/61/565686761.db2.gz ZAUYRNOBGMBZHZ-VXGBXAGGSA-N 1 0 398.301 2.723 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CN(C(=O)NCCCOc2ccc(Cl)cc2Cl)CCO1 ZINC000669422865 565688490 /nfs/dbraw/zinc/68/84/90/565688490.db2.gz VLHYLVJTVBXBAT-IAQYHMDHSA-N 1 0 376.284 2.520 20 0 GFADRO O=C(NCC1(c2cccc(Br)c2)CC1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000669484661 565690363 /nfs/dbraw/zinc/69/03/63/565690363.db2.gz ILROVVFNMMQQCJ-XJKSGUPXSA-N 1 0 378.314 2.874 20 0 GFADRO CC1([NH3+])CCN(C(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CCCC2)CC1 ZINC000648120692 565691530 /nfs/dbraw/zinc/69/15/30/565691530.db2.gz MHWPTSRQESGUNP-UHFFFAOYSA-N 1 0 384.929 2.766 20 0 GFADRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)NCCc3c[nH]c4ccc(Br)cc34)C[C@H]12 ZINC000669557329 565692560 /nfs/dbraw/zinc/69/25/60/565692560.db2.gz NMQZPDARLKWXKT-VBNZEHGJSA-N 1 0 391.313 2.852 20 0 GFADRO [NH3+]CC[C@@H](NC(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1)C(F)F ZINC000648145895 565692664 /nfs/dbraw/zinc/69/26/64/565692664.db2.gz WLLNNJAVEQDGSV-CYBMUJFWSA-N 1 0 394.871 2.525 20 0 GFADRO COC(=O)c1cc(Br)ccc1NC(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000599603442 565692855 /nfs/dbraw/zinc/69/28/55/565692855.db2.gz WNNWMJNZYXERTB-CYBMUJFWSA-N 1 0 382.258 2.642 20 0 GFADRO O=C(N[C@@H]1C[C@H]1C1CC[NH2+]CC1)N[C@H]1CCOc2c(Br)cccc21 ZINC000669580674 565693172 /nfs/dbraw/zinc/69/31/72/565693172.db2.gz WOYDCBVLNLATII-CWRNSKLLSA-N 1 0 394.313 2.960 20 0 GFADRO CCc1ccccc1[C@@H]([NH3+])CNC(=O)N[C@@H](C)c1ncc(Br)cn1 ZINC000669591172 565694195 /nfs/dbraw/zinc/69/41/95/565694195.db2.gz ZELXQZJBPNGJGO-NHYWBVRUSA-N 1 0 392.301 2.862 20 0 GFADRO CCCN(C(=O)N[C@H]1COc2cc(F)c(Br)cc21)[C@H]1CC[NH2+]C1 ZINC000669581099 565694213 /nfs/dbraw/zinc/69/42/13/565694213.db2.gz MBKPSWJXPZPIFZ-HZMBPMFUSA-N 1 0 386.265 2.805 20 0 GFADRO O=C(CCNC(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1)Nc1cc(Cl)cc(Cl)c1 ZINC000669592146 565694275 /nfs/dbraw/zinc/69/42/75/565694275.db2.gz CXSFEZICCGPOQZ-XHDPSFHLSA-N 1 0 385.295 2.715 20 0 GFADRO Cc1cc(Br)cc(C)c1N1CCC[C@H](NC(=O)NC/C=C/C[NH3+])C1 ZINC000669584753 565694549 /nfs/dbraw/zinc/69/45/49/565694549.db2.gz WNBOFDZVQRIWAY-CWDCEQMOSA-N 1 0 395.345 2.849 20 0 GFADRO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)N[C@@H]1COc2cc(F)c(Br)cc21 ZINC000669649681 565696624 /nfs/dbraw/zinc/69/66/24/565696624.db2.gz MCFRRDRRORYBFP-IAQYHMDHSA-N 1 0 398.276 2.805 20 0 GFADRO O[C@@H](COc1cc(F)cc(Br)c1)C[NH+]1CC(C2CCOCC2)C1 ZINC000669665742 565698190 /nfs/dbraw/zinc/69/81/90/565698190.db2.gz UCZIHZCMVPZATJ-MRXNPFEDSA-N 1 0 388.277 2.686 20 0 GFADRO CS(=O)(=O)[C@H]1CCCN(Cc2cnn(Cc3ccccc3Cl)c2)CC1 ZINC000669716933 565700697 /nfs/dbraw/zinc/70/06/97/565700697.db2.gz ZBMRTGSQQSJZNN-KRWDZBQOSA-N 1 0 381.929 2.984 20 0 GFADRO C[C@@H]1C[C@@H](N(C)C(=O)c2c3ccc(Br)cc3nn2C)CC[N@@H+]1C ZINC000648299718 565701842 /nfs/dbraw/zinc/70/18/42/565701842.db2.gz YLSVGYHAJFEPQZ-YPMHNXCESA-N 1 0 379.302 2.891 20 0 GFADRO CC(C)[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000669907108 565706842 /nfs/dbraw/zinc/70/68/42/565706842.db2.gz PTCIBQNQPIJLJK-PVXIVEMSSA-N 1 0 383.945 2.755 20 0 GFADRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCC[C@@H]1c1ccc(I)cc1 ZINC000599938750 565707056 /nfs/dbraw/zinc/70/70/56/565707056.db2.gz PPBWNEDUESHGOW-NILFDRSVSA-N 1 0 399.276 2.888 20 0 GFADRO CCN(C(=O)Cc1ccccc1I)C1CC[NH+](C)CC1 ZINC000599986173 565709416 /nfs/dbraw/zinc/70/94/16/565709416.db2.gz PGNNJUHALCMGBQ-UHFFFAOYSA-N 1 0 386.277 2.776 20 0 GFADRO CCC([NH3+])(CC)CNC(=O)C(=O)Nc1ccc(SC)c(Br)c1 ZINC000626833286 565711692 /nfs/dbraw/zinc/71/16/92/565711692.db2.gz XKRFXPGKYKNNJI-UHFFFAOYSA-N 1 0 388.331 2.743 20 0 GFADRO Cc1ccc(Cl)cc1NC(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000626861282 565712971 /nfs/dbraw/zinc/71/29/71/565712971.db2.gz NEYHNRKPRWZIOH-ZYHUDNBSSA-N 1 0 377.794 2.573 20 0 GFADRO C[C@H]1CC[C@@H](NC(=O)C(=O)Nc2ccc(-c3ccc(Cl)s3)nc2)C[NH2+]1 ZINC000626891656 565714467 /nfs/dbraw/zinc/71/44/67/565714467.db2.gz AQUNBUGSGZCKDA-WDEREUQCSA-N 1 0 378.885 2.659 20 0 GFADRO C[C@H](NC(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1)c1cc2c(cc1Br)OCCO2 ZINC000626943379 565715988 /nfs/dbraw/zinc/71/59/88/565715988.db2.gz CYLQFHKREBWWNK-GRYCIOLGSA-N 1 0 398.301 2.721 20 0 GFADRO Cc1ccc(S(=O)(=O)NCC[NH2+]Cc2cc3cc(Cl)cnc3o2)s1 ZINC000648484466 565716197 /nfs/dbraw/zinc/71/61/97/565716197.db2.gz BNGCOWNCIWUJCK-UHFFFAOYSA-N 1 0 385.898 2.919 20 0 GFADRO CC(C)c1nc(CCNC(=O)N2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)cs1 ZINC000626967344 565717023 /nfs/dbraw/zinc/71/70/23/565717023.db2.gz XAQDPGGNYYHHNB-WCQYABFASA-N 1 0 378.464 2.978 20 0 GFADRO Cc1csc(CCCCNC(=O)N2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)n1 ZINC000626965696 565717052 /nfs/dbraw/zinc/71/70/52/565717052.db2.gz KXAVXPPUKZPSPS-CHWSQXEVSA-N 1 0 378.464 2.943 20 0 GFADRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NCCC(=O)Nc1ccc(Br)cc1C ZINC000626965287 565717074 /nfs/dbraw/zinc/71/70/74/565717074.db2.gz YWESUKRHOBWDLO-DZGCQCFKSA-N 1 0 397.317 2.526 20 0 GFADRO C[C@@H](CNC(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)Oc1ccccc1Br ZINC000626993168 565717758 /nfs/dbraw/zinc/71/77/58/565717758.db2.gz CRFASWGKWBWCLL-DOPJRALCSA-N 1 0 396.329 2.857 20 0 GFADRO C[NH2+]CCOCCN(C)C(=O)NCc1cnc(-c2ccc(Cl)cc2)s1 ZINC000627032065 565720561 /nfs/dbraw/zinc/72/05/61/565720561.db2.gz HVHOLVWRWZNFOV-UHFFFAOYSA-N 1 0 382.917 2.841 20 0 GFADRO COCC[C@H](NC(=O)NC1(C[NH3+])CCOCC1)c1ccc(Cl)c(Cl)c1 ZINC000627032168 565720591 /nfs/dbraw/zinc/72/05/91/565720591.db2.gz NKEGVMQQRKKUMM-HNNXBMFYSA-N 1 0 390.311 2.878 20 0 GFADRO COc1ncc(Br)cc1CNC(=O)NCC[NH2+]C1CCCCCC1 ZINC000627081444 565720946 /nfs/dbraw/zinc/72/09/46/565720946.db2.gz YMHWBXYUPIBKJH-UHFFFAOYSA-N 1 0 399.333 2.964 20 0 GFADRO C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)NCc1cc(F)c(F)cc1Br)C2 ZINC000627037130 565721048 /nfs/dbraw/zinc/72/10/48/565721048.db2.gz ZUBKTXDVOJRMFN-IYBDPMFKSA-N 1 0 388.256 2.868 20 0 GFADRO O=C(c1cc(F)ccc1Br)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000670392977 565721320 /nfs/dbraw/zinc/72/13/20/565721320.db2.gz MSJYVLZMPADPTI-AWEZNQCLSA-N 1 0 385.277 2.915 20 0 GFADRO O=C(CCCc1cc(Cl)sc1Cl)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000670406790 565721710 /nfs/dbraw/zinc/72/17/10/565721710.db2.gz CSRBZZUEGOMQPT-CYBMUJFWSA-N 1 0 376.353 2.884 20 0 GFADRO Cc1c2cc(Br)ccc2oc1C(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000670409201 565722502 /nfs/dbraw/zinc/72/25/02/565722502.db2.gz HGGVDMVHRASXLR-CQSZACIVSA-N 1 0 392.297 2.623 20 0 GFADRO C[N@@H+]1CCCC[C@@H](CNC(=O)c2cccc(F)c2I)C1 ZINC000600314749 565723353 /nfs/dbraw/zinc/72/33/53/565723353.db2.gz PFAGOIUSBJZOTE-NSHDSACASA-N 1 0 390.240 2.892 20 0 GFADRO C[N@@H+]1CCCC[C@@H](CNC(=O)c2ccc(I)cc2F)C1 ZINC000600312401 565723480 /nfs/dbraw/zinc/72/34/80/565723480.db2.gz GSVUSUCEKRIHPI-NSHDSACASA-N 1 0 390.240 2.892 20 0 GFADRO Cn1nc2cc(Br)ccc2c1C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000648744023 565725603 /nfs/dbraw/zinc/72/56/03/565725603.db2.gz GSWJZLUKXYHTKU-LLVKDONJSA-N 1 0 377.286 2.550 20 0 GFADRO C[N@H+](CCNC(=O)C(=O)NCCc1ccc(Cl)cc1Cl)C1CCCC1 ZINC000670496472 565726292 /nfs/dbraw/zinc/72/62/92/565726292.db2.gz QEAMBLVRZURYHZ-UHFFFAOYSA-N 1 0 386.323 2.643 20 0 GFADRO C[C@@H]1CC[C@H](NC(=O)N2CCO[C@H](c3cccc(Br)c3)C2)C[NH2+]1 ZINC000627194121 565726471 /nfs/dbraw/zinc/72/64/71/565726471.db2.gz CBVWDTUFHFPZHT-KCXAZCMYSA-N 1 0 382.302 2.673 20 0 GFADRO [NH3+]CCCOCCNC(=O)N1CCCC[C@@H]1Cc1ccccc1Br ZINC000627220985 565726707 /nfs/dbraw/zinc/72/67/07/565726707.db2.gz WHNVJURANDZLJE-MRXNPFEDSA-N 1 0 398.345 2.921 20 0 GFADRO [NH3+]CCCOCCNC(=O)N1CCO[C@@H](c2cc(F)c(Cl)cc2Cl)C1 ZINC000627213699 565726727 /nfs/dbraw/zinc/72/67/27/565726727.db2.gz OKJAMLGMLDAZBA-OAHLLOKOSA-N 1 0 394.274 2.581 20 0 GFADRO C[C@@H]1CC[C@H](NC(=O)N2CCOC[C@@H]2c2ccc(Br)cc2)C[NH2+]1 ZINC000627209987 565726811 /nfs/dbraw/zinc/72/68/11/565726811.db2.gz JUFLTTMYZGETQM-UHOFOFEASA-N 1 0 382.302 2.673 20 0 GFADRO C[C@@H](CC(=O)N1CCC(C[NH+]2CCCC2)CC1)n1cc(Br)cn1 ZINC000648781890 565728260 /nfs/dbraw/zinc/72/82/60/565728260.db2.gz CEQOVBYZCCWCGF-AWEZNQCLSA-N 1 0 383.334 2.931 20 0 GFADRO O=C(CCCOc1ccc(Cl)cc1Cl)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000627251346 565728745 /nfs/dbraw/zinc/72/87/45/565728745.db2.gz HAKREERQSRAZLB-HUUCEWRRSA-N 1 0 387.307 2.820 20 0 GFADRO Cn1nc2cc(Br)ccc2c1C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000648793111 565729349 /nfs/dbraw/zinc/72/93/49/565729349.db2.gz KUBMREPZSMZGAH-CYBMUJFWSA-N 1 0 391.313 2.894 20 0 GFADRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)c1c2ccc(Br)cc2nn1C ZINC000648786030 565729583 /nfs/dbraw/zinc/72/95/83/565729583.db2.gz NUGDKZKAGDVQRO-GFCCVEGCSA-N 1 0 379.302 2.750 20 0 GFADRO O=C(c1cc(Cl)c(Br)cc1F)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000627269382 565730281 /nfs/dbraw/zinc/73/02/81/565730281.db2.gz RKQZAGZADOLVOE-NXEZZACHSA-N 1 0 391.668 2.523 20 0 GFADRO O=C(c1cc2ccc(Br)cc2s1)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000627269518 565730406 /nfs/dbraw/zinc/73/04/06/565730406.db2.gz TZOBEMQJYJFAML-UONOGXRCSA-N 1 0 395.322 2.945 20 0 GFADRO C[C@H]1C[C@@H](NC(=O)c2c3ccc(Br)cc3nn2C)C[N@@H+]1C1CC1 ZINC000648818726 565732644 /nfs/dbraw/zinc/73/26/44/565732644.db2.gz IBKYZYUWPLWRMT-CMPLNLGQSA-N 1 0 377.286 2.691 20 0 GFADRO CCN(CC[NH3+])C(=O)C(=O)NC[C@@H](Cc1ccc(Cl)cc1Cl)C(C)C ZINC000627294672 565732960 /nfs/dbraw/zinc/73/29/60/565732960.db2.gz GYSOEDXVOJXWQB-CQSZACIVSA-N 1 0 388.339 2.732 20 0 GFADRO C[C@@H](NC(=O)C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1)c1ccsc1 ZINC000670625614 565735253 /nfs/dbraw/zinc/73/52/53/565735253.db2.gz NYEPUKGVBGQGCT-UKRRQHHQSA-N 1 0 377.535 2.940 20 0 GFADRO C[C@H]1CC[C@H](NC(=O)C(=O)N(Cc2ccc(Cl)c(Cl)c2)C2CC2)C[NH2+]1 ZINC000627484422 565737474 /nfs/dbraw/zinc/73/74/74/565737474.db2.gz YDYOTCXSXJZUCS-AAEUAGOBSA-N 1 0 384.307 2.741 20 0 GFADRO O=C(N[C@H](CO)C[NH+]1CCCCC1)c1cc2c(cncc2Br)s1 ZINC000648899792 565738354 /nfs/dbraw/zinc/73/83/54/565738354.db2.gz ZZRQFMKCUJOFHZ-NSHDSACASA-N 1 0 398.326 2.635 20 0 GFADRO COCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@H]2c2ccc(Br)cc2)C1 ZINC000648917681 565739782 /nfs/dbraw/zinc/73/97/82/565739782.db2.gz QAIRVQNKZFMWLA-YESZJQIVSA-N 1 0 381.314 2.780 20 0 GFADRO O=C(N[C@@H]1CCC[N@@H+](CCCO)C1)c1ccc(OC(F)(F)F)c(Cl)c1 ZINC000627575462 565741945 /nfs/dbraw/zinc/74/19/45/565741945.db2.gz SZHNGORPQSZIRI-GFCCVEGCSA-N 1 0 380.794 2.815 20 0 GFADRO C[C@H](NC(=O)C(=O)N1CC[C@H]2CC[N@H+](C)C[C@H]21)c1cc(Cl)ccc1Cl ZINC000670927313 565745309 /nfs/dbraw/zinc/74/53/09/565745309.db2.gz ZSIGWQPDJBXYKK-HWWQOWPSSA-N 1 0 384.307 2.723 20 0 GFADRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)c1ccc(C(F)(F)F)cc1Cl ZINC000649072887 565746026 /nfs/dbraw/zinc/74/60/26/565746026.db2.gz KSTPAXVKNBWTKN-JTQLQIEISA-N 1 0 377.794 2.551 20 0 GFADRO C[N@@H+]1C[C@@H](CNC(=O)c2c[nH]c(=O)c(Br)c2)[C@H](c2ccccc2)C1 ZINC000649101831 565748681 /nfs/dbraw/zinc/74/86/81/565748681.db2.gz JBGRISVFANDVAF-CABCVRRESA-N 1 0 390.281 2.625 20 0 GFADRO O=C(CN1CCC[C@@H]([NH+]2CCOCC2)CC1)Nc1ccc(Br)cc1 ZINC000670985803 565749859 /nfs/dbraw/zinc/74/98/59/565749859.db2.gz JPGWLDWTUHVQBS-QGZVFWFLSA-N 1 0 396.329 2.574 20 0 GFADRO O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000649140690 565750769 /nfs/dbraw/zinc/75/07/69/565750769.db2.gz LNJTVTSUHGNWNK-OKZBNKHCSA-N 1 0 393.325 2.922 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)NC[C@H]1CCCC[N@@H+](C)C1 ZINC000627828542 565754534 /nfs/dbraw/zinc/75/45/34/565754534.db2.gz DQDOXCBUHXLMPW-CQSZACIVSA-N 1 0 396.329 2.853 20 0 GFADRO CC(C)([NH3+])CCC(=O)N[C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000649344580 565758531 /nfs/dbraw/zinc/75/85/31/565758531.db2.gz DYBWJBMVRHQAPE-NSHDSACASA-N 1 0 378.826 2.966 20 0 GFADRO C[N@@H+]1CCCC[C@H]1C(=O)NCc1nnc2c(Cl)cc(C(F)(F)F)cn12 ZINC000600937154 565759587 /nfs/dbraw/zinc/75/95/87/565759587.db2.gz NSPIJBFKOLHHME-NSHDSACASA-N 1 0 375.782 2.502 20 0 GFADRO O=C(CC[NH+]1CCC(Cn2cnnc2)CC1)Nc1cccc(Br)c1 ZINC000649785935 565777550 /nfs/dbraw/zinc/77/75/50/565777550.db2.gz YIFZHSFAGIYTHW-UHFFFAOYSA-N 1 0 392.301 2.781 20 0 GFADRO C[C@@H](C(=O)Nc1ccc(Br)cc1)[NH+]1CCC(Cn2cnnc2)CC1 ZINC000649786520 565777971 /nfs/dbraw/zinc/77/79/71/565777971.db2.gz PHCNGUXGJNTKFL-ZDUSSCGKSA-N 1 0 392.301 2.780 20 0 GFADRO C[C@@H](O)CC[N@H+](C)Cc1cc(Cl)cc(Cl)c1OCCN1CCOCC1 ZINC000628178617 565778055 /nfs/dbraw/zinc/77/80/55/565778055.db2.gz VTCFELFKDHIHJU-CQSZACIVSA-N 1 0 391.339 2.907 20 0 GFADRO CC[C@@H](C[NH+]1CCCC1)NS(=O)(=O)Cc1ccc(Br)c(F)c1 ZINC000649830298 565780662 /nfs/dbraw/zinc/78/06/62/565780662.db2.gz OMCXAIQWLLDMFR-ZDUSSCGKSA-N 1 0 393.322 2.882 20 0 GFADRO COc1ccc(Br)c(C(=O)NCCC[NH2+]Cc2oc(C)nc2C)c1 ZINC000628211787 565780894 /nfs/dbraw/zinc/78/08/94/565780894.db2.gz PGMZLUGACPRGBE-UHFFFAOYSA-N 1 0 396.285 2.972 20 0 GFADRO CC(=O)c1cc(Br)ccc1OCC(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000671707249 565782959 /nfs/dbraw/zinc/78/29/59/565782959.db2.gz SXPXQCBYCXWPKH-HNNXBMFYSA-N 1 0 395.297 2.631 20 0 GFADRO C[C@@H](NC(=O)CCCS(=O)(=O)c1ccc(Cl)cc1)C1CC[NH+](C)CC1 ZINC000671723332 565784342 /nfs/dbraw/zinc/78/43/42/565784342.db2.gz NAGGWIGLEAMBMK-CQSZACIVSA-N 1 0 386.945 2.740 20 0 GFADRO C[N@H+](Cc1ccc(Br)c(Br)c1)[C@]1(CO)CCOC1 ZINC000628367077 565786566 /nfs/dbraw/zinc/78/65/66/565786566.db2.gz LFAMRFXQRIILMR-ZDUSSCGKSA-N 1 0 379.092 2.795 20 0 GFADRO CN1C[C@@H]([N@H+](C)Cc2cc(Br)c3c(c2)OCCCO3)CCC1=O ZINC000628368429 565786657 /nfs/dbraw/zinc/78/66/57/565786657.db2.gz GGDCKKOQDKYZHD-ZDUSSCGKSA-N 1 0 383.286 2.663 20 0 GFADRO CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N[C@@H](C)c1ccc(Br)cc1 ZINC000671818602 565787253 /nfs/dbraw/zinc/78/72/53/565787253.db2.gz LZRZXHKIBLQQJI-XJKSGUPXSA-N 1 0 396.329 2.617 20 0 GFADRO O=c1cc(C[N@H+]2CCC[C@@H]2[C@H]2CCC[C@H]2O)nc2ccc(Br)cn12 ZINC000649927487 565787547 /nfs/dbraw/zinc/78/75/47/565787547.db2.gz HWAWXZXPXPFWIK-BZUAXINKSA-N 1 0 392.297 2.582 20 0 GFADRO CCOC(=O)c1c(NC(=O)N2C[C@@H](C[NH3+])[C@H](C)C2)sc2c1CCSC2 ZINC000601558350 565791660 /nfs/dbraw/zinc/79/16/60/565791660.db2.gz CXXTUDUJRZACGR-GHMZBOCLSA-N 1 0 383.539 2.773 20 0 GFADRO O=C(Nc1cc(Cl)ccc1I)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000601567831 565792361 /nfs/dbraw/zinc/79/23/61/565792361.db2.gz WEUSHHRBWFMMHN-IUCAKERBSA-N 1 0 377.613 2.523 20 0 GFADRO C[C@@H]1C[N@H+](C)[C@H](C)[C@@H](C)N1C(=O)c1cc(Br)c2c(c1)OCCO2 ZINC000650149246 565799181 /nfs/dbraw/zinc/79/91/81/565799181.db2.gz AGYYMFFLFGRFSZ-IJLUTSLNSA-N 1 0 383.286 2.773 20 0 GFADRO C[C@@H]1C[N@H+](C)[C@H](C)[C@H](C)N1C(=O)c1cnc2ncc(Br)cc2c1 ZINC000650155301 565800076 /nfs/dbraw/zinc/80/00/76/565800076.db2.gz YBZYGGSCLZNXIN-UTUOFQBUSA-N 1 0 377.286 2.945 20 0 GFADRO Cc1nc2ccc(Br)cn2c1C(=O)N1[C@H](C)C[N@H+](C)[C@@H](C)[C@@H]1C ZINC000650154861 565801088 /nfs/dbraw/zinc/80/10/88/565801088.db2.gz RDOWPJOFHYOGIQ-WXHSDQCUSA-N 1 0 379.302 2.958 20 0 GFADRO CCOC(=O)[C@@H](Cc1cc(Cl)cc(Cl)c1)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000602118232 565823191 /nfs/dbraw/zinc/82/31/91/565823191.db2.gz IMGUODRBBJVOEG-BLLLJJGKSA-N 1 0 387.307 2.926 20 0 GFADRO CC[N@H+](CCNC(=O)N1C[C@H](C(F)(F)F)OC[C@H]1C)CCC(F)(F)F ZINC000673042758 565825016 /nfs/dbraw/zinc/82/50/16/565825016.db2.gz RWCLPLKZZBWGJO-GHMZBOCLSA-N 1 0 379.345 2.622 20 0 GFADRO O=C(c1csc(-c2ccc(Cl)cc2)n1)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000673511464 565837866 /nfs/dbraw/zinc/83/78/66/565837866.db2.gz ACHRLMGIDTXGGY-LSDHHAIUSA-N 1 0 377.897 2.745 20 0 GFADRO Cc1cc(Br)ccc1SCC(=O)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000673515295 565838548 /nfs/dbraw/zinc/83/85/48/565838548.db2.gz QUQBSGIGMZOAAH-CABCVRRESA-N 1 0 399.354 2.517 20 0 GFADRO Cc1cc(Br)cc2cc(C(=O)N[C@@H](CO)C[NH+]3CCCC3)oc21 ZINC000673529756 565839028 /nfs/dbraw/zinc/83/90/28/565839028.db2.gz BRFWDMWOXDDTLX-CQSZACIVSA-N 1 0 381.270 2.690 20 0 GFADRO CC(C)Oc1cc(C(=O)N2CCN(CC[NH+](C)C)CC2)ccc1Br ZINC000651027505 565841680 /nfs/dbraw/zinc/84/16/80/565841680.db2.gz JSIQULDVBCUQQC-UHFFFAOYSA-N 1 0 398.345 2.556 20 0 GFADRO CC(C)[C@@H](C(=O)Nc1nnc2ccc(Br)cn21)[NH+]1CCCCC1 ZINC000651043282 565843417 /nfs/dbraw/zinc/84/34/17/565843417.db2.gz PGURTXBHCAEMPR-AWEZNQCLSA-N 1 0 380.290 2.941 20 0 GFADRO C[N@@H+]1CCC[C@@H](NC(=O)Nc2cc(Br)ccc2-n2cccn2)C1 ZINC000673762771 565845291 /nfs/dbraw/zinc/84/52/91/565845291.db2.gz WQIKLKBSTRNJIY-CYBMUJFWSA-N 1 0 378.274 2.851 20 0 GFADRO CCSCC[C@H](C)N(C)C(=O)c1nnn(C2CC[NH2+]CC2)c1C(F)F ZINC000602460051 565849819 /nfs/dbraw/zinc/84/98/19/565849819.db2.gz AHBUULJGJJNPKE-NSHDSACASA-N 1 0 375.489 2.744 20 0 GFADRO CN(C)S(=O)(=O)N1CCCC[C@H]1C[NH2+]Cc1ccc(Cl)c(Cl)c1 ZINC000673869469 565851183 /nfs/dbraw/zinc/85/11/83/565851183.db2.gz FMPCOIWLRHGLCE-ZDUSSCGKSA-N 1 0 380.341 2.744 20 0 GFADRO O=C(CCC1C[NH2+]C1)NCc1cc(Cl)ccc1I ZINC000602517675 565852525 /nfs/dbraw/zinc/85/25/25/565852525.db2.gz DBWUVFRRIMUCKT-UHFFFAOYSA-N 1 0 378.641 2.560 20 0 GFADRO CC(C)(CO)[NH+]1CCN(CCOc2ccc(Cl)cc2Br)CC1 ZINC000673897161 565852871 /nfs/dbraw/zinc/85/28/71/565852871.db2.gz OVIMZCBRBFFCJD-UHFFFAOYSA-N 1 0 391.737 2.870 20 0 GFADRO O=C(N[C@@H]1CC[NH2+]C12CCC2)c1cc(Cl)ccc1I ZINC000602534376 565853660 /nfs/dbraw/zinc/85/36/60/565853660.db2.gz UKGIFHMSTRLDAM-GFCCVEGCSA-N 1 0 390.652 2.959 20 0 GFADRO [NH3+][C@H]1CC[C@H](NC(=O)CCC[S@@](=O)c2ccc(Br)cc2)CC1 ZINC000602604020 565857386 /nfs/dbraw/zinc/85/73/86/565857386.db2.gz GQFXXOSGYAALNB-XDEPDNQISA-N 1 0 387.343 2.723 20 0 GFADRO CC(C)(C[NH2+]Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1)S(C)(=O)=O ZINC000674045555 565857853 /nfs/dbraw/zinc/85/78/53/565857853.db2.gz ZEAOWKMOIRSRQY-UHFFFAOYSA-N 1 0 375.416 2.804 20 0 GFADRO CN(CC(=O)N1CC[NH2+]CC1)Cc1coc(-c2cc(Cl)cc(Cl)c2)n1 ZINC000629508130 565858207 /nfs/dbraw/zinc/85/82/07/565858207.db2.gz OAGKHQFGDGVGDT-UHFFFAOYSA-N 1 0 383.279 2.512 20 0 GFADRO CCN(CC[NH3+])CC(=O)Nc1ccc(Oc2ccc(Br)cc2)nc1 ZINC000629558283 565859158 /nfs/dbraw/zinc/85/91/58/565859158.db2.gz WBOBVZWOAOHZST-UHFFFAOYSA-N 1 0 393.285 2.856 20 0 GFADRO Cn1ncc(C(F)(F)F)c1C[NH2+]C[C@@H](O)COCc1ccc(Cl)cc1 ZINC000629587739 565860640 /nfs/dbraw/zinc/86/06/40/565860640.db2.gz SQJWDSKDHSETRR-CYBMUJFWSA-N 1 0 377.794 2.760 20 0 GFADRO Cc1ccc(Cl)c(OC[C@H](O)C[NH2+]C[C@H](n2cccn2)C(F)(F)F)c1 ZINC000629599072 565862950 /nfs/dbraw/zinc/86/29/50/565862950.db2.gz MXEQTOAVEMACOV-DOMZBBRYSA-N 1 0 377.794 2.978 20 0 GFADRO O[C@H](C[NH2+]CC/C=C\c1ccc(Br)cc1)COC1CCOCC1 ZINC000629599633 565862980 /nfs/dbraw/zinc/86/29/80/565862980.db2.gz ONMWDKUILGDWKK-YKUAXSNGSA-N 1 0 384.314 2.999 20 0 GFADRO COc1ccc(Br)cc1C[C@H](CO)C[NH2+][C@@H](C)c1c[nH]nc1C ZINC000651466800 565864731 /nfs/dbraw/zinc/86/47/31/565864731.db2.gz TWPOOMQGJZLQIW-AAEUAGOBSA-N 1 0 382.302 2.991 20 0 GFADRO C[C@@H](C(=O)N1CCC(C(=O)Nc2cccc(Br)c2)CC1)[NH+](C)C ZINC000674288232 565866065 /nfs/dbraw/zinc/86/60/65/565866065.db2.gz SYIHSBDYJFFXLV-LBPRGKRZSA-N 1 0 382.302 2.576 20 0 GFADRO CC[C@H](C[NH+]1CCCC1)NS(=O)(=O)c1ccc(F)cc1Br ZINC000674345207 565869795 /nfs/dbraw/zinc/86/97/95/565869795.db2.gz MMZSIMFJAOIREM-GFCCVEGCSA-N 1 0 379.295 2.741 20 0 GFADRO O=C(Nc1cc(Cl)c(Cl)c(Cl)c1)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000651583135 565874835 /nfs/dbraw/zinc/87/48/35/565874835.db2.gz XIJQVIRVMMTZHA-QMMMGPOBSA-N 1 0 376.671 2.938 20 0 GFADRO Cc1cc(Br)c(C[NH2+]C[C@H]2CCC[C@]23NC(=O)N(C)C3=O)s1 ZINC000651584014 565876331 /nfs/dbraw/zinc/87/63/31/565876331.db2.gz SPNAAPJQMNBXLU-BMIGLBTASA-N 1 0 386.315 2.629 20 0 GFADRO C[NH2+]C1(CNC(=O)c2cc(C)n(-c3ccc(Br)cc3)n2)CCC1 ZINC000630000189 565879676 /nfs/dbraw/zinc/87/96/76/565879676.db2.gz GTWPDHXUJCQDFQ-UHFFFAOYSA-N 1 0 377.286 2.815 20 0 GFADRO O[C@H](C[N@@H+]1CC[C@H](Cc2ccc(Br)cc2)C1)CC1(O)CCOCC1 ZINC000630046410 565880731 /nfs/dbraw/zinc/88/07/31/565880731.db2.gz LVWVEDPYTXSCJP-AEFFLSMTSA-N 1 0 398.341 2.606 20 0 GFADRO CO[C@H](CS(=O)(=O)NC[C@H](C[NH+](C)C)c1ccc(Cl)cc1)C(C)C ZINC000651764847 565891141 /nfs/dbraw/zinc/89/11/41/565891141.db2.gz QKSLTVDSABZUGC-NVXWUHKLSA-N 1 0 376.950 2.576 20 0 GFADRO CC(C)C[N@H+](C)CCCNS(=O)(=O)Cc1ccccc1Br ZINC000651768541 565892775 /nfs/dbraw/zinc/89/27/75/565892775.db2.gz RJSNMRUQHDWAAV-UHFFFAOYSA-N 1 0 377.348 2.846 20 0 GFADRO Cc1c(Cl)cc(F)c(NC(=O)C(=O)NCCC[N@@H+](C)CC(C)C)c1F ZINC000651901073 565902659 /nfs/dbraw/zinc/90/26/59/565902659.db2.gz ULYVWPLJZOFSDA-UHFFFAOYSA-N 1 0 375.847 2.959 20 0 GFADRO Cc1cc(Br)cc(NC(=O)C(=O)NCCC[N@@H+](C)CC(C)C)c1 ZINC000651900359 565903073 /nfs/dbraw/zinc/90/30/73/565903073.db2.gz OCEJEMGSSAVMHK-UHFFFAOYSA-N 1 0 384.318 2.790 20 0 GFADRO CC[C@H](CCc1ccc(Br)cc1)[NH2+][C@H]1CCN(S(C)(=O)=O)C1 ZINC000651921710 565904093 /nfs/dbraw/zinc/90/40/93/565904093.db2.gz UWPOPMWVGYIYSQ-CVEARBPZSA-N 1 0 389.359 2.784 20 0 GFADRO C[NH+](C)C[C@H]1CN(S(=O)(=O)Cc2ccccc2Cl)c2ccccc2O1 ZINC000675469216 565904956 /nfs/dbraw/zinc/90/49/56/565904956.db2.gz IBJLYAMIYUOHSS-HNNXBMFYSA-N 1 0 380.897 2.999 20 0 GFADRO Cc1c(Br)csc1C(=O)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000630592203 565910784 /nfs/dbraw/zinc/91/07/84/565910784.db2.gz KYGRGPXTNOIXKE-UHFFFAOYSA-N 1 0 386.359 2.673 20 0 GFADRO CCN1C[C@H](C[NH2+][C@H](C)CC(=O)Nc2cccc(Br)c2)CC1=O ZINC000652016439 565911671 /nfs/dbraw/zinc/91/16/71/565911671.db2.gz ZVKBGQMQGUUXNT-OLZOCXBDSA-N 1 0 382.302 2.624 20 0 GFADRO CCN1C[C@@H](C[NH2+][C@H](C)CC(=O)Nc2ccc(Br)cc2)CC1=O ZINC000652015882 565912113 /nfs/dbraw/zinc/91/21/13/565912113.db2.gz OAFFBXTZQXZAMT-CHWSQXEVSA-N 1 0 382.302 2.624 20 0 GFADRO C[C@@H]1CN(C(C)(C)CNC(=O)c2c(F)cncc2Br)C[C@H](C)O1 ZINC000630626859 565912089 /nfs/dbraw/zinc/91/20/89/565912089.db2.gz WDXVTEHLTKGAJB-PHIMTYICSA-N 1 0 388.281 2.601 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]CCC1(CO)CCC1 ZINC000652037058 565913187 /nfs/dbraw/zinc/91/31/87/565913187.db2.gz DSCHAZGMKJTIDE-ZDUSSCGKSA-N 1 0 399.329 2.605 20 0 GFADRO C[N@@H+]1CCCN(CCCNC(=O)c2[nH]c3ccccc3c2Br)CC1 ZINC000603812269 565915490 /nfs/dbraw/zinc/91/54/90/565915490.db2.gz MHMUSXGRZQPXFB-UHFFFAOYSA-N 1 0 393.329 2.688 20 0 GFADRO CN1CCN(c2cc[nH+]cc2NC(=O)Cc2ccc(Br)s2)CC1 ZINC000603829660 565916564 /nfs/dbraw/zinc/91/65/64/565916564.db2.gz FQZATZQKJOXGOT-UHFFFAOYSA-N 1 0 395.326 2.839 20 0 GFADRO O=C(NCCC1CC[NH2+]CC1)N1CCN(c2cccc(Br)c2)CC1 ZINC000652321197 565922331 /nfs/dbraw/zinc/92/23/31/565922331.db2.gz YLEUOTZFDYMXOW-UHFFFAOYSA-N 1 0 395.345 2.670 20 0 GFADRO C[C@H](CNC(=O)Nc1cc(Br)cnc1OCC(F)(F)F)[NH+](C)C ZINC000604101853 565923361 /nfs/dbraw/zinc/92/33/61/565923361.db2.gz SGSRSFSFOVVSNL-MRVPVSSYSA-N 1 0 399.211 2.857 20 0 GFADRO Cc1cccc(S(=O)(=O)N2CCC[C@@H](C)[C@H]2CC[NH3+])c1Br ZINC000652377206 565925625 /nfs/dbraw/zinc/92/56/25/565925625.db2.gz ABECTJVGOXKPFW-DGCLKSJQSA-N 1 0 375.332 2.896 20 0 GFADRO COc1ccc(S(=O)(=O)N2CCC[C@H](C)[C@H]2CC[NH3+])c(Br)c1 ZINC000652377692 565926430 /nfs/dbraw/zinc/92/64/30/565926430.db2.gz NCBITXMIUUDXFJ-SMDDNHRTSA-N 1 0 391.331 2.596 20 0 GFADRO [NH3+]CC1(CCNS(=O)(=O)Cc2cc(Cl)ccc2Br)CC1 ZINC000652378410 565926564 /nfs/dbraw/zinc/92/65/64/565926564.db2.gz KEKXNUXOJSXZLR-UHFFFAOYSA-N 1 0 381.723 2.651 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2S(=O)(=O)C[C@@H]2CCCCC2(F)F)C1 ZINC000652383509 565927610 /nfs/dbraw/zinc/92/76/10/565927610.db2.gz XWTJIQJEJQOKTD-FZKCQIBNSA-N 1 0 380.501 2.503 20 0 GFADRO CC(C)C[N@H+](C)CCCNC(=O)C(=O)N(C)Cc1ccc(Br)cc1 ZINC000652389917 565927762 /nfs/dbraw/zinc/92/77/62/565927762.db2.gz OFVJVNARMYGTOK-UHFFFAOYSA-N 1 0 398.345 2.502 20 0 GFADRO COc1cc(NC(=O)NCCC2CC[NH2+]CC2)cc(OC)c1Br ZINC000652592289 565934713 /nfs/dbraw/zinc/93/47/13/565934713.db2.gz NJPWIRCPJOYUPD-UHFFFAOYSA-N 1 0 386.290 2.978 20 0 GFADRO [NH3+]CC1(CCNC(=O)Nc2ccnn2Cc2cccc(Br)c2)CC1 ZINC000652596826 565934925 /nfs/dbraw/zinc/93/49/25/565934925.db2.gz LVZTWSYHJKYJPN-UHFFFAOYSA-N 1 0 392.301 2.944 20 0 GFADRO Cc1cc(S(=O)(=O)NCC[NH2+][C@H]2CCN(c3ccccc3)C2)c(C)s1 ZINC000676418858 565937382 /nfs/dbraw/zinc/93/73/82/565937382.db2.gz RHGCOAVWHPKUBT-INIZCTEOSA-N 1 0 379.551 2.512 20 0 GFADRO C[C@H](C[NH2+]Cc1cn(C[C@@H]2CCOC2)nn1)Oc1ccccc1Br ZINC000631081895 565938240 /nfs/dbraw/zinc/93/82/40/565938240.db2.gz BNDUTGAKUXOWBX-KGLIPLIRSA-N 1 0 395.301 2.634 20 0 GFADRO C[C@H](C[NH2+]Cc1ccc(Cl)c(S(N)(=O)=O)c1)N(C)Cc1ccccc1 ZINC000631068640 565938558 /nfs/dbraw/zinc/93/85/58/565938558.db2.gz FSRSQMPWNWAZDQ-CQSZACIVSA-N 1 0 381.929 2.598 20 0 GFADRO C[C@@H](NCc1ccc(Cl)c(S(N)(=O)=O)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000631109529 565941228 /nfs/dbraw/zinc/94/12/28/565941228.db2.gz FTHWFKPCDFUQOA-HIFRSBDPSA-N 1 0 385.961 2.730 20 0 GFADRO O=C(CCn1cc(Br)cn1)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000676507449 565941511 /nfs/dbraw/zinc/94/15/11/565941511.db2.gz UASFKQSWIPLHQA-CJNGLKHVSA-N 1 0 381.318 2.511 20 0 GFADRO C[C@H](CN(C)Cc1ccccc1)[NH2+]Cc1ccc(Cl)c(S(N)(=O)=O)c1 ZINC000631107788 565941680 /nfs/dbraw/zinc/94/16/80/565941680.db2.gz GQZDAFMTNAUSMZ-CQSZACIVSA-N 1 0 381.929 2.598 20 0 GFADRO COc1cc(C[NH2+][C@@H](CCO)C2CCOCC2)c(F)cc1Br ZINC000631111477 565941812 /nfs/dbraw/zinc/94/18/12/565941812.db2.gz KQEKOGJHQLASQI-HNNXBMFYSA-N 1 0 376.266 2.864 20 0 GFADRO CO[C@H](c1ccc(F)cc1)[C@@H](C)[NH2+]Cc1ccc(Cl)c(S(N)(=O)=O)c1 ZINC000631106369 565942030 /nfs/dbraw/zinc/94/20/30/565942030.db2.gz SDFLJVWPGHOYHX-DIFFPNOSSA-N 1 0 386.876 2.992 20 0 GFADRO O=S(=O)(NCC[NH2+]Cc1ccc(C(F)F)nc1)c1ccc(F)cc1Cl ZINC000631129425 565942731 /nfs/dbraw/zinc/94/27/31/565942731.db2.gz MFHMLGGDGDLLPY-UHFFFAOYSA-N 1 0 393.818 2.880 20 0 GFADRO NS(=O)(=O)c1cc(C[NH2+]CCc2cccc(C(F)(F)F)n2)ccc1Cl ZINC000631143803 565944514 /nfs/dbraw/zinc/94/45/14/565944514.db2.gz WGSDMYCABVFGGZ-UHFFFAOYSA-N 1 0 393.818 2.734 20 0 GFADRO COCCc1ccc(OC[C@H](O)C[NH2+]Cc2ccncc2Br)cc1 ZINC000631171562 565945784 /nfs/dbraw/zinc/94/57/84/565945784.db2.gz JYYDXESJZUWKHA-MRXNPFEDSA-N 1 0 395.297 2.563 20 0 GFADRO O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)c1cc(F)c(F)cc1Br ZINC000676757994 565946548 /nfs/dbraw/zinc/94/65/48/565946548.db2.gz RNBFPUXYNXHCPW-LLVKDONJSA-N 1 0 389.240 2.710 20 0 GFADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)c2scc(Br)c2C)CC1 ZINC000631275180 565952254 /nfs/dbraw/zinc/95/22/54/565952254.db2.gz BODAKGDLLCNXHH-LBPRGKRZSA-N 1 0 388.375 2.822 20 0 GFADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)c1cc(=O)c2cc(Br)ccc2[nH]1 ZINC000605522729 565952665 /nfs/dbraw/zinc/95/26/65/565952665.db2.gz PZRMENKVAKQRCX-ZDUSSCGKSA-N 1 0 392.297 2.895 20 0 GFADRO CCN1CC[NH+](CCCCNC(=O)c2scc(Br)c2C)CC1 ZINC000631273497 565952703 /nfs/dbraw/zinc/95/27/03/565952703.db2.gz PGKYZJOSRREQRB-UHFFFAOYSA-N 1 0 388.375 2.967 20 0 GFADRO C[NH+](C)Cc1cc(CNC(=O)COc2ccc(Br)cn2)ccc1F ZINC000631321658 565953228 /nfs/dbraw/zinc/95/32/28/565953228.db2.gz LLXQAEYUAHDYQI-UHFFFAOYSA-N 1 0 396.260 2.740 20 0 GFADRO COc1cc(Br)c(CNC(=O)[C@H]2CC[C@@H](C3CC3)[NH2+]2)cc1OC ZINC000653085583 565954304 /nfs/dbraw/zinc/95/43/04/565954304.db2.gz QNJNDLNMAQSMOH-UONOGXRCSA-N 1 0 383.286 2.613 20 0 GFADRO CN1CC[NH+](CC2CN(c3ncc(Br)cc3C(F)(F)F)C2)CC1 ZINC000631335536 565954583 /nfs/dbraw/zinc/95/45/83/565954583.db2.gz AIZCUPISDHLWLR-UHFFFAOYSA-N 1 0 393.251 2.547 20 0 GFADRO C[NH+](C)CC[C@H](N)C(=O)N[C@@H](c1ccccc1)c1ccc(Br)cc1 ZINC000653079164 565954568 /nfs/dbraw/zinc/95/45/68/565954568.db2.gz VELALAPEOSWKLM-ROUUACIJSA-N 1 0 390.325 2.934 20 0 GFADRO O=S(=O)(NCC[NH2+]C[C@H]1CCOc2ccccc21)c1ccc(Cl)s1 ZINC000676905534 565954834 /nfs/dbraw/zinc/95/48/34/565954834.db2.gz WKOAZXAFCPMBAJ-GFCCVEGCSA-N 1 0 386.926 2.836 20 0 GFADRO C[NH+](C)CC[C@H](N)C(=O)N1CCC(OCc2ccc(Cl)c(Cl)c2)CC1 ZINC000653098614 565955161 /nfs/dbraw/zinc/95/51/61/565955161.db2.gz SKOVAUXCKXIFCC-KRWDZBQOSA-N 1 0 388.339 2.780 20 0 GFADRO [NH3+]CC[C@@H](NC(=O)[C@H]1CCOc2ccc(Br)cc21)C(F)(F)F ZINC000653147573 565956124 /nfs/dbraw/zinc/95/61/24/565956124.db2.gz QNYAXUAQIVIDQO-JOYOIKCWSA-N 1 0 381.192 2.711 20 0 GFADRO O=C(NCc1nc(-c2cccc(Br)c2)no1)[C@@H]1CCC[NH2+]CC1 ZINC000653160831 565956136 /nfs/dbraw/zinc/95/61/36/565956136.db2.gz YFORDJXOACSDOE-LLVKDONJSA-N 1 0 379.258 2.505 20 0 GFADRO [NH3+]CC[C@H](NC(=O)[C@@H]1CCOc2ccc(Br)cc21)C(F)(F)F ZINC000653147574 565956538 /nfs/dbraw/zinc/95/65/38/565956538.db2.gz QNYAXUAQIVIDQO-SKDRFNHKSA-N 1 0 381.192 2.711 20 0 GFADRO [NH3+][C@@H]1CCC[C@H]1CC(=O)N1CCN(Cc2ccc(Br)cc2)CC1 ZINC000653168056 565957268 /nfs/dbraw/zinc/95/72/68/565957268.db2.gz NKDHPTZKCRWZBE-DOTOQJQBSA-N 1 0 380.330 2.611 20 0 GFADRO COCC[N@@H+]1CC[C@@H](NC(=O)NCc2c(C)cc(Br)cc2C)C1 ZINC000605881305 565957579 /nfs/dbraw/zinc/95/75/79/565957579.db2.gz MNPXGKOYAVRFFK-OAHLLOKOSA-N 1 0 384.318 2.586 20 0 GFADRO COCC1(C(=O)N2CCN(c3cc(Cl)ccc3Cl)CC2)CC[NH2+]CC1 ZINC000653198747 565959406 /nfs/dbraw/zinc/95/94/06/565959406.db2.gz LEQPBNVLLVJEEU-UHFFFAOYSA-N 1 0 386.323 2.658 20 0 GFADRO C[C@H]1CCCN(C(=O)c2cc(=O)c3cc(Br)ccc3[nH]2)[C@H]1CC[NH3+] ZINC000653238238 565959781 /nfs/dbraw/zinc/95/97/81/565959781.db2.gz NEXQUVAWYALCBT-ZBEGNZNMSA-N 1 0 392.297 2.880 20 0 GFADRO CCO[C@@H]1CN(C(=O)Cc2csc(-c3ccccc3Cl)n2)C[C@H]1C[NH3+] ZINC000653247035 565960147 /nfs/dbraw/zinc/96/01/47/565960147.db2.gz IYIIQKRXODLUGD-MLGOLLRUSA-N 1 0 379.913 2.828 20 0 GFADRO CCO[C@@H]1CN(C(=O)CCCc2ccc(Br)s2)C[C@H]1C[NH3+] ZINC000653245241 565960622 /nfs/dbraw/zinc/96/06/22/565960622.db2.gz SRBLREMAQGEVHL-DGCLKSJQSA-N 1 0 375.332 2.656 20 0 GFADRO O=C(NCCC1CC[NH2+]CC1)c1ccn(-c2cccc(Br)c2)n1 ZINC000653271409 565961458 /nfs/dbraw/zinc/96/14/58/565961458.db2.gz XIHTVFTUEYKUKR-UHFFFAOYSA-N 1 0 377.286 2.754 20 0 GFADRO Cc1ccc(NC(=O)CCn2cc(Br)cn2)c(OCC[NH+](C)C)c1 ZINC000606327318 565962092 /nfs/dbraw/zinc/96/20/92/565962092.db2.gz SBMHXEWKGXDGEF-UHFFFAOYSA-N 1 0 395.301 2.923 20 0 GFADRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)c2c(F)cncc2Br)C1 ZINC000631600237 565963373 /nfs/dbraw/zinc/96/33/73/565963373.db2.gz OXGDCVWXXLUGQM-LBPRGKRZSA-N 1 0 388.281 2.556 20 0 GFADRO C[C@H](NC(=O)NCCOc1ccc(Br)cc1)C1CC[NH+](C)CC1 ZINC000606660335 565968411 /nfs/dbraw/zinc/96/84/11/565968411.db2.gz DPMAWSMLCQASTN-ZDUSSCGKSA-N 1 0 384.318 2.857 20 0 GFADRO Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)[NH2+][C@@H](C(C)C)[C@H](O)C(F)(F)F ZINC000631716174 565969884 /nfs/dbraw/zinc/96/98/84/565969884.db2.gz JJAMYVFLIXUONU-CQDKDKBSSA-N 1 0 382.448 2.549 20 0 GFADRO [NH3+]C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)c1c(Cl)cccc1Cl)C2=O ZINC000653548203 565971715 /nfs/dbraw/zinc/97/17/15/565971715.db2.gz RCLNMBPVCLWVQA-QGHHPUGFSA-N 1 0 384.263 2.616 20 0 GFADRO O=C(Nc1cc(C(F)(F)F)ccc1Cl)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000607059252 565976592 /nfs/dbraw/zinc/97/65/92/565976592.db2.gz FWJWRNBJFZBNCL-SNVBAGLBSA-N 1 0 375.778 2.650 20 0 GFADRO CN(CCCC[NH+](C)C)C(=O)[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000607052103 565976655 /nfs/dbraw/zinc/97/66/55/565976655.db2.gz MCQMNCSHLVPCSQ-MRXNPFEDSA-N 1 0 396.329 2.602 20 0 GFADRO C[C@H](c1ccc(Cl)c(Cl)c1)N(C)S(=O)(=O)N(C)C1CC[NH2+]CC1 ZINC000631914984 565982469 /nfs/dbraw/zinc/98/24/69/565982469.db2.gz AKJQMYOIJDJCLF-LLVKDONJSA-N 1 0 380.341 2.915 20 0 GFADRO COCC[N@@H+]1CC[C@@H](NC(=O)NCC2(c3ccccc3Br)CC2)C1 ZINC000607379170 565984215 /nfs/dbraw/zinc/98/42/15/565984215.db2.gz OLLNCLHTEKZMAY-CQSZACIVSA-N 1 0 396.329 2.501 20 0 GFADRO C[C@H](c1nnc(-c2ccc(Cl)c(Cl)c2)o1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000653827369 565984269 /nfs/dbraw/zinc/98/42/69/565984269.db2.gz XSMNHAAGTHYKSM-KGYLQXTDSA-N 1 0 383.279 2.855 20 0 GFADRO C[C@@H]1CCCN(S(=O)(=O)Cc2ncsc2Br)[C@@H]1CCC[NH3+] ZINC000631951247 565985805 /nfs/dbraw/zinc/98/58/05/565985805.db2.gz CUFVKPGRLMDQTA-ZYHUDNBSSA-N 1 0 396.376 2.575 20 0 GFADRO Cc1nc(-c2cccs2)c(CC(=O)N2C[C@@H](C)N(CCO)[C@@H](C)C2)s1 ZINC000653883925 565986579 /nfs/dbraw/zinc/98/65/79/565986579.db2.gz PMHGXXMDMUKXDV-BETUJISGSA-N 1 0 379.551 2.636 20 0 GFADRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1cc(=O)c2cc(Br)ccc2[nH]1 ZINC000607660130 565987362 /nfs/dbraw/zinc/98/73/62/565987362.db2.gz PXDLHIFLHAMZFU-ZBEGNZNMSA-N 1 0 392.297 2.703 20 0 GFADRO Cc1nc(-c2ccc(S(=O)(=O)N3CCC[C@@H]4C[NH2+]CC[C@H]43)s2)cs1 ZINC000631995047 565989555 /nfs/dbraw/zinc/98/95/55/565989555.db2.gz XEOFUNJYFSRDEG-TZMCWYRMSA-N 1 0 383.564 2.943 20 0 GFADRO O=C(COc1ccc(Br)cn1)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000632012622 565990592 /nfs/dbraw/zinc/99/05/92/565990592.db2.gz VCMSFFZUZMJMLW-CZUORRHYSA-N 1 0 394.313 2.698 20 0 GFADRO COc1ccc(Br)cc1CC(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000607883495 565991268 /nfs/dbraw/zinc/99/12/68/565991268.db2.gz CZAMYBKURIRNLH-UHFFFAOYSA-N 1 0 390.281 2.744 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)c(C)c1CN1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000678343284 566008376 /nfs/dbraw/zinc/00/83/76/566008376.db2.gz OZYQXARKVLAZLC-GJZGRUSLSA-N 1 0 375.314 2.903 20 0 GFADRO O=C(Nc1ccc(Br)c(F)c1)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000608328552 566010859 /nfs/dbraw/zinc/01/08/59/566010859.db2.gz BKUMRAWHJXNRDF-GJZGRUSLSA-N 1 0 386.265 2.651 20 0 GFADRO CCn1cnnc1CC[NH2+]C1CCN(Cc2ccccc2Br)CC1 ZINC000678621217 566014905 /nfs/dbraw/zinc/01/49/05/566014905.db2.gz CPRYUCMPOKKSLA-UHFFFAOYSA-N 1 0 392.345 2.857 20 0 GFADRO O[C@H](COc1ccc(Cl)c(Cl)c1)C[N@@H+]1CCC[C@@H]1CN1CCOCC1 ZINC000608501543 566015317 /nfs/dbraw/zinc/01/53/17/566015317.db2.gz DTVKGQXNPTWCQI-CABCVRRESA-N 1 0 389.323 2.530 20 0 GFADRO CC(C)[C@H]([NH2+]C[C@@H](O)COc1ccc(Cl)c(Cl)c1)C(=O)N1CCCC1 ZINC000678778663 566020993 /nfs/dbraw/zinc/02/09/93/566020993.db2.gz ZDPSVAUWIOVGMM-DYVFJYSZSA-N 1 0 389.323 2.970 20 0 GFADRO CN(Cc1cc(Br)cn1C)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000654729556 566021064 /nfs/dbraw/zinc/02/10/64/566021064.db2.gz HBSRURXSWSPHEU-HOTGVXAUSA-N 1 0 383.334 2.946 20 0 GFADRO C[C@@H]1CN(CC[NH2+][C@H](c2ccc(Br)cc2)[C@@H]2CCCO2)CCO1 ZINC000679339799 566038396 /nfs/dbraw/zinc/03/83/96/566038396.db2.gz OYHINWLVRQMLAW-FHLIZLRMSA-N 1 0 383.330 2.980 20 0 GFADRO CSc1cc(Br)ccc1C(=O)NC[C@H]1CCC[N@@H+]1CCCO ZINC000655120494 566041388 /nfs/dbraw/zinc/04/13/88/566041388.db2.gz INYOXUZEOUIZKX-CYBMUJFWSA-N 1 0 387.343 2.748 20 0 GFADRO C[C@H](NC(=O)CCn1cc(Br)cn1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000679664794 566049517 /nfs/dbraw/zinc/04/95/17/566049517.db2.gz ITZODLFVJABRAM-KBPBESRZSA-N 1 0 383.334 2.805 20 0 GFADRO CCC(C)(C)[NH+]1CCN(C(=O)c2cc(Br)cnc2N(C)C)CC1 ZINC000655271753 566049794 /nfs/dbraw/zinc/04/97/94/566049794.db2.gz HEOYJBNGYVJDJK-UHFFFAOYSA-N 1 0 383.334 2.857 20 0 GFADRO Cc1c2cc(Br)ccc2sc1C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000655294463 566051084 /nfs/dbraw/zinc/05/10/84/566051084.db2.gz ZRADSBNUMUHMJL-QWHCGFSZSA-N 1 0 395.322 2.863 20 0 GFADRO C[C@@H](NC(=O)N[C@H](CCO)c1ccccc1Br)C1CC[NH+](C)CC1 ZINC000679781298 566052508 /nfs/dbraw/zinc/05/25/08/566052508.db2.gz QSFBWUCVWLAYSX-CXAGYDPISA-N 1 0 398.345 2.902 20 0 GFADRO CO[C@@H](C(=O)NCCC[NH2+]Cc1cccnc1)c1ccccc1Br ZINC000655412241 566056049 /nfs/dbraw/zinc/05/60/49/566056049.db2.gz PFLJMRPXRWIUPU-QGZVFWFLSA-N 1 0 392.297 2.828 20 0 GFADRO Cc1c(Br)cccc1CS(=O)(=O)NCC(C)(C)C[NH+](C)C ZINC000655462141 566057086 /nfs/dbraw/zinc/05/70/86/566057086.db2.gz KHEJKBSNJYYBAD-UHFFFAOYSA-N 1 0 377.348 2.765 20 0 GFADRO COc1cc(Br)ccc1CCCNC(=O)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC000655471627 566058330 /nfs/dbraw/zinc/05/83/30/566058330.db2.gz KXSHQQBJHRELLV-CRAIPNDOSA-N 1 0 381.314 2.896 20 0 GFADRO [NH3+]C[C@@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1)C(F)(F)F ZINC000655508430 566060789 /nfs/dbraw/zinc/06/07/89/566060789.db2.gz FJIYIPQXUKBBPQ-NWDGAFQWSA-N 1 0 398.212 2.604 20 0 GFADRO Cc1csc(-c2ccc(S(=O)(=O)N[C@@H]3CC[N@H+](CC4CC4)C3)cc2)n1 ZINC000655503143 566061047 /nfs/dbraw/zinc/06/10/47/566061047.db2.gz LFHLQJRXJKOWFN-MRXNPFEDSA-N 1 0 377.535 2.881 20 0 GFADRO CCc1nc(C(=O)N[C@H](C[NH3+])C(F)(F)F)nn1-c1c(Cl)cccc1Cl ZINC000655511403 566062039 /nfs/dbraw/zinc/06/20/39/566062039.db2.gz CWSKGDDONBFLFR-SECBINFHSA-N 1 0 396.200 2.756 20 0 GFADRO COCC[C@@H](Cc1cccc(Br)c1)C(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000655513019 566063022 /nfs/dbraw/zinc/06/30/22/566063022.db2.gz NVFZDPZVAUWTBT-WCQYABFASA-N 1 0 397.235 2.650 20 0 GFADRO C[NH+](C)CC[C@H](N)C(=O)N1CCN(c2cc(Cl)c(Cl)c(Cl)c2)CC1 ZINC000655525842 566064265 /nfs/dbraw/zinc/06/42/65/566064265.db2.gz UKXNDIXKHMKPGC-AWEZNQCLSA-N 1 0 393.746 2.574 20 0 GFADRO Cc1c(Br)cccc1CS(=O)(=O)NC1(C[NH+](C)C)CCC1 ZINC000655581684 566069769 /nfs/dbraw/zinc/06/97/69/566069769.db2.gz BOSDATWWZATNPI-UHFFFAOYSA-N 1 0 375.332 2.661 20 0 GFADRO CN(CCC[NH+]1CCCC1)C(=O)c1ccc2cncc(Br)c2n1 ZINC000632845673 566071079 /nfs/dbraw/zinc/07/10/79/566071079.db2.gz PCZKNOGONURXMN-UHFFFAOYSA-N 1 0 377.286 2.950 20 0 GFADRO Cc1cc(Br)cn2cc(CCNC(=O)[C@H]3CCCC[N@H+]3C)nc12 ZINC000680459351 566072071 /nfs/dbraw/zinc/07/20/71/566072071.db2.gz PSYUSCAHNHKXGX-OAHLLOKOSA-N 1 0 379.302 2.548 20 0 GFADRO C[N@@H+]1CCC[C@H](NC(=O)NC(C)(C)COc2ncc(Cl)cc2Cl)C1 ZINC000680498943 566073213 /nfs/dbraw/zinc/07/32/13/566073213.db2.gz CUXZFMPJCSIGAG-LBPRGKRZSA-N 1 0 375.300 2.939 20 0 GFADRO CNC(=O)c1cccc(NC(=O)N2CCCCC[C@@H]([NH3+])C2)c1Br ZINC000632945054 566076711 /nfs/dbraw/zinc/07/67/11/566076711.db2.gz AQNUDDFOYCXRLQ-LLVKDONJSA-N 1 0 383.290 2.544 20 0 GFADRO COC(=O)c1cc(NC(=O)N[C@H](C)CC[NH+](C)C)c(Br)cc1F ZINC000610328289 566077440 /nfs/dbraw/zinc/07/74/40/566077440.db2.gz UTUIPJXKYZFSKY-SECBINFHSA-N 1 0 390.253 2.837 20 0 GFADRO C[N@@H+]1CC[C@](O)(CNC(=O)C2(c3ccc(Br)cc3)CCCCC2)C1 ZINC000680828815 566082631 /nfs/dbraw/zinc/08/26/31/566082631.db2.gz ZFTQSHDUEXYHHD-SFHVURJKSA-N 1 0 395.341 2.834 20 0 GFADRO C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)CS1 ZINC000655701483 566083020 /nfs/dbraw/zinc/08/30/20/566083020.db2.gz FWSMVZRAIZZQFF-OIISXLGYSA-N 1 0 384.567 2.518 20 0 GFADRO C[N@@H+]1CC[C@@](O)(CNC(=O)C2(c3ccc(Br)cc3)CCCCC2)C1 ZINC000680828814 566083231 /nfs/dbraw/zinc/08/32/31/566083231.db2.gz ZFTQSHDUEXYHHD-GOSISDBHSA-N 1 0 395.341 2.834 20 0 GFADRO Brc1cc(C[NH2+]C2CCN([C@@H]3CCOC3)CC2)cc2c1OCCO2 ZINC000655701159 566083261 /nfs/dbraw/zinc/08/32/61/566083261.db2.gz ACEUONUQDMJRLY-OAHLLOKOSA-N 1 0 397.313 2.563 20 0 GFADRO CN1CC[NH+]([C@H]2CC[C@@H](NC(=O)Cc3ccccc3Br)CC2)CC1 ZINC000680840974 566084174 /nfs/dbraw/zinc/08/41/74/566084174.db2.gz IUIDNIZDEPDMLZ-CALCHBBNSA-N 1 0 394.357 2.666 20 0 GFADRO CN1CC[NH+]([C@H]2CC[C@@H](NC(=O)Cc3cccc(Br)c3)CC2)CC1 ZINC000680842119 566084287 /nfs/dbraw/zinc/08/42/87/566084287.db2.gz WFOILOKBAUQGHP-HDICACEKSA-N 1 0 394.357 2.666 20 0 GFADRO Cc1nn(-c2ccccc2Br)cc1C[NH2+]C[C@]1(O)CCSC1 ZINC000655744919 566085938 /nfs/dbraw/zinc/08/59/38/566085938.db2.gz XKLJVYQLNMFWJR-MRXNPFEDSA-N 1 0 382.327 2.901 20 0 GFADRO CN(CCc1cccc(Br)c1)C(=O)c1cnn(CC[NH+](C)C)c1 ZINC000633159405 566087812 /nfs/dbraw/zinc/08/78/12/566087812.db2.gz DKLCZEJWFDQCKX-UHFFFAOYSA-N 1 0 379.302 2.522 20 0 GFADRO COc1ccc(Br)cc1C[C@H](CO)C[NH2+][C@@H]1CCCn2ccnc21 ZINC000655773694 566088202 /nfs/dbraw/zinc/08/82/02/566088202.db2.gz CSSDIHBVKYAXQN-XJKSGUPXSA-N 1 0 394.313 2.930 20 0 GFADRO C[C@H](c1ccccc1)[C@@H](CO)[NH2+]C[C@H](O)COc1cccc(Br)c1 ZINC000680990178 566090503 /nfs/dbraw/zinc/09/05/03/566090503.db2.gz ILOCJKCEBYKPGV-DKSSEZFCSA-N 1 0 394.309 2.943 20 0 GFADRO Cn1nnc2c1CC[C@H]([NH2+]Cc1ccc(OC(F)F)c(Br)c1)C2 ZINC000655841381 566091378 /nfs/dbraw/zinc/09/13/78/566091378.db2.gz BWLZJLSTUAQTRT-JTQLQIEISA-N 1 0 387.228 2.826 20 0 GFADRO [NH3+]C[C@@H](NC(=O)NCC1(c2cccc(Br)c2)CC1)C(F)(F)F ZINC000655917258 566094768 /nfs/dbraw/zinc/09/47/68/566094768.db2.gz OELMELXMGFJMOD-LLVKDONJSA-N 1 0 380.208 2.670 20 0 GFADRO [NH3+]C[C@@H](NC(=O)N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1)C(F)(F)F ZINC000655915373 566094882 /nfs/dbraw/zinc/09/48/82/566094882.db2.gz MYVQCPQITZDRTG-VXGBXAGGSA-N 1 0 386.201 2.966 20 0 GFADRO [NH3+]C[C@@H](NC(=O)N1CCC(C(=O)c2ccc(Cl)cc2)CC1)C(F)(F)F ZINC000655911026 566095209 /nfs/dbraw/zinc/09/52/09/566095209.db2.gz GQBIDMXVQRQFNC-CYBMUJFWSA-N 1 0 377.794 2.834 20 0 GFADRO [NH3+]C[C@H](NC(=O)NCC1(c2ccccc2Br)CC1)C(F)(F)F ZINC000655920141 566095662 /nfs/dbraw/zinc/09/56/62/566095662.db2.gz SJLZBVJWZMSAQI-NSHDSACASA-N 1 0 380.208 2.670 20 0 GFADRO [NH3+]C[C@@H](NC(=O)NCC1(c2ccc(Cl)cc2)CCOCC1)C(F)(F)F ZINC000655915644 566095877 /nfs/dbraw/zinc/09/58/77/566095877.db2.gz WXWHLDUNBTWWMC-CYBMUJFWSA-N 1 0 379.810 2.577 20 0 GFADRO Cc1cc(Br)cc2c1CN(C(=O)N[C@@H](C[NH3+])C(F)(F)F)CC2 ZINC000655923920 566096534 /nfs/dbraw/zinc/09/65/34/566096534.db2.gz YMSWAWMMZQEEKN-LBPRGKRZSA-N 1 0 380.208 2.715 20 0 GFADRO Cc1c(Cl)cccc1N1CCCN(C(=O)N[C@H](C[NH3+])C(F)(F)F)CC1 ZINC000655930142 566096991 /nfs/dbraw/zinc/09/69/91/566096991.db2.gz JZWFCMBHGGUJOG-CQSZACIVSA-N 1 0 378.826 2.760 20 0 GFADRO Cc1c(Br)cccc1CS(=O)(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000655951354 566098727 /nfs/dbraw/zinc/09/87/27/566098727.db2.gz UUDVDUBJCXHFGN-CQSZACIVSA-N 1 0 375.332 2.709 20 0 GFADRO CC[C@@H](NC[C@@H](O)C[NH+]1CCCC1)c1ccc(I)cc1 ZINC000610803918 566100587 /nfs/dbraw/zinc/10/05/87/566100587.db2.gz DWFXZQNDJVLDSP-HZPDHXFCSA-N 1 0 388.293 2.789 20 0 GFADRO C[C@H]([NH3+])C1CCN(C(=O)C(=O)NCCCc2c(Cl)cccc2Cl)CC1 ZINC000656030846 566102060 /nfs/dbraw/zinc/10/20/60/566102060.db2.gz YWDDJUWPTYDNEQ-LBPRGKRZSA-N 1 0 386.323 2.628 20 0 GFADRO CC[N@@H+]1CCCN(C(=O)C(=O)NCCCc2c(Cl)cccc2Cl)CC1 ZINC000656062296 566102436 /nfs/dbraw/zinc/10/24/36/566102436.db2.gz DNDJZLZEUIZJSE-UHFFFAOYSA-N 1 0 386.323 2.596 20 0 GFADRO O=C(N[C@@H]1CCc2c1ccc(F)c2Br)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000633649890 566112443 /nfs/dbraw/zinc/11/24/43/566112443.db2.gz MPKSQLNNLLUTHQ-COLVAYQJSA-N 1 0 382.277 2.969 20 0 GFADRO COc1cc(C[NH2+][C@@H](CO)CC2CC2)cc(I)c1OC ZINC000611108260 566115282 /nfs/dbraw/zinc/11/52/82/566115282.db2.gz RLBJPPWFVSRWBY-GFCCVEGCSA-N 1 0 391.249 2.559 20 0 GFADRO Cc1nn(-c2cccc(Br)c2)cc1C[N@@H+]1CC[C@](C)(C(N)=O)C1 ZINC000656259159 566119183 /nfs/dbraw/zinc/11/91/83/566119183.db2.gz YLCBBEUAVRVGEH-KRWDZBQOSA-N 1 0 377.286 2.641 20 0 GFADRO Cc1nn(-c2ccccc2Br)cc1C[NH2+]CCN1CCCOCC1 ZINC000656261526 566121083 /nfs/dbraw/zinc/12/10/83/566121083.db2.gz KFWVWZAGSNENAQ-UHFFFAOYSA-N 1 0 393.329 2.755 20 0 GFADRO NC(=O)c1ccccc1N1CC[C@H]([NH2+]Cc2cccc(O)c2Br)C1 ZINC000656499132 566129004 /nfs/dbraw/zinc/12/90/04/566129004.db2.gz QNCKEMBYIJDRLU-ZDUSSCGKSA-N 1 0 390.281 2.622 20 0 GFADRO Cc1[nH]c(=O)c(Br)cc1C(=O)Nc1cnn(C2CC[NH+](C)CC2)c1 ZINC000634096435 566143600 /nfs/dbraw/zinc/14/36/00/566143600.db2.gz TZIHIMHGUXGPKY-UHFFFAOYSA-N 1 0 394.273 2.574 20 0 GFADRO Cc1ccc(Br)c(NC(=O)C(=O)N[C@@H](C)C2CC[NH+](C)CC2)c1 ZINC000682193222 566146519 /nfs/dbraw/zinc/14/65/19/566146519.db2.gz RCMRKLWVTNPVAA-LBPRGKRZSA-N 1 0 382.302 2.543 20 0 GFADRO Cc1ccc(NC(=O)C(=O)N[C@@H](C)C2CC[NH+](C)CC2)cc1Br ZINC000682192994 566146651 /nfs/dbraw/zinc/14/66/51/566146651.db2.gz QEUJBBGBLKPCTK-LBPRGKRZSA-N 1 0 382.302 2.543 20 0 GFADRO C[C@@H](C[NH+]1CCCCC1)NS(=O)(=O)Cc1ccc(OC(F)(F)F)cc1 ZINC000682256241 566147881 /nfs/dbraw/zinc/14/78/81/566147881.db2.gz NQULDRLHGZAHFU-ZDUSSCGKSA-N 1 0 380.432 2.879 20 0 GFADRO Cc1ccc(Br)cc1CNC(=O)NCC(C)(C)N1CC[NH+](C)CC1 ZINC000682232151 566147909 /nfs/dbraw/zinc/14/79/09/566147909.db2.gz BHZYFQDMSIQPMU-UHFFFAOYSA-N 1 0 397.361 2.583 20 0 GFADRO CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)Nc1cccc(C)c1Br ZINC000682275309 566148844 /nfs/dbraw/zinc/14/88/44/566148844.db2.gz ZGXSFVMSYHQCEX-CYBMUJFWSA-N 1 0 382.302 2.687 20 0 GFADRO Cc1c(F)c(Br)ccc1C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000612015280 566149277 /nfs/dbraw/zinc/14/92/77/566149277.db2.gz SAZQJSUZQJRMLN-ZDUSSCGKSA-N 1 0 385.277 2.691 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)C(=O)N1CCC[C@H]([NH2+]C(C)C)C1 ZINC000682352025 566150402 /nfs/dbraw/zinc/15/04/02/566150402.db2.gz ILNHWQYLWKHHFJ-AWEZNQCLSA-N 1 0 382.302 2.685 20 0 GFADRO C[NH2+]CCCC(=O)NC1CCN(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000634299413 566151104 /nfs/dbraw/zinc/15/11/04/566151104.db2.gz QQYVUKYKEJZVQE-UHFFFAOYSA-N 1 0 397.317 2.561 20 0 GFADRO Cc1cccc(C[N@@H+]2CC[C@@H](NC(=O)c3cc(Br)c[nH]c3=O)C2)c1 ZINC000634275321 566151364 /nfs/dbraw/zinc/15/13/64/566151364.db2.gz MYDFZWSXLVZJOW-OAHLLOKOSA-N 1 0 390.281 2.862 20 0 GFADRO Cc1cccc(NC(=O)C(=O)N2CCC[C@@H]([NH2+]C(C)C)C2)c1Br ZINC000682355496 566151665 /nfs/dbraw/zinc/15/16/65/566151665.db2.gz MBJMIXPTBALNPX-CYBMUJFWSA-N 1 0 382.302 2.685 20 0 GFADRO COC1CC[NH+](CCNC(=O)Nc2cc(Br)c(F)cc2F)CC1 ZINC000682420962 566152962 /nfs/dbraw/zinc/15/29/62/566152962.db2.gz NCCNQGVJQRUTGD-UHFFFAOYSA-N 1 0 392.244 2.960 20 0 GFADRO CS(=O)(=O)CC1(CC[NH2+]C[C@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000656706242 566155950 /nfs/dbraw/zinc/15/59/50/566155950.db2.gz WYORRDQSQFBABO-LBPRGKRZSA-N 1 0 396.336 2.538 20 0 GFADRO C[C@H](NC(=O)C1([NH+](C)C)CC1)c1nc(-c2ccc(Br)cc2)no1 ZINC000612401292 566160373 /nfs/dbraw/zinc/16/03/73/566160373.db2.gz SUHNRBSUSJRLIJ-JTQLQIEISA-N 1 0 379.258 2.771 20 0 GFADRO CS(=O)(=O)CC1(CC[NH2+]C[C@H](O)COc2cc(Cl)cc(Cl)c2)CC1 ZINC000634649743 566163075 /nfs/dbraw/zinc/16/30/75/566163075.db2.gz UBORINACDDTFBG-AWEZNQCLSA-N 1 0 396.336 2.538 20 0 GFADRO CC(C)[C@H](C[NH2+][C@H](C(N)=O)c1ccc(Br)cc1)c1ccnn1C ZINC000682613027 566166266 /nfs/dbraw/zinc/16/62/66/566166266.db2.gz GWZMMRMQFAEMNT-HOCLYGCPSA-N 1 0 379.302 2.738 20 0 GFADRO O[C@@H](C[NH2+]CC/C=C\c1ccc(Br)cc1)CC1(O)CCOCC1 ZINC000634722192 566172692 /nfs/dbraw/zinc/17/26/92/566172692.db2.gz LDTVJWQGUOLNMS-YKUAXSNGSA-N 1 0 384.314 2.735 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2C(=O)Cc1ccc(Br)cc1F ZINC000612751363 566172840 /nfs/dbraw/zinc/17/28/40/566172840.db2.gz FOGAEAVGDNLOLJ-PVAVHDDUSA-N 1 0 399.304 2.841 20 0 GFADRO O[C@H](C[NH2+]C[C@@H](n1cncn1)C(F)(F)F)COc1cc(Cl)cc(Cl)c1 ZINC000634725663 566172909 /nfs/dbraw/zinc/17/29/09/566172909.db2.gz ADFPXIAEWKKKAG-DGCLKSJQSA-N 1 0 399.200 2.718 20 0 GFADRO C[C@H]1CCC[N@H+](CCNS(=O)(=O)Cc2cc(F)ccc2Br)C1 ZINC000656877321 566173594 /nfs/dbraw/zinc/17/35/94/566173594.db2.gz MPADDDCOXDTQDE-LBPRGKRZSA-N 1 0 393.322 2.740 20 0 GFADRO Cc1ccc(C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)c(C)c1Br ZINC000682900672 566175857 /nfs/dbraw/zinc/17/58/57/566175857.db2.gz IZFYLIMSTXJSSJ-INIZCTEOSA-N 1 0 394.357 2.918 20 0 GFADRO Cc1ccc(C(=O)N[C@H](C)CC[NH+]2CCN(C)CC2)c(C)c1Br ZINC000682935243 566177997 /nfs/dbraw/zinc/17/79/97/566177997.db2.gz YBZCJNGHHLUHTN-CQSZACIVSA-N 1 0 382.346 2.822 20 0 GFADRO Cc1ccc(C(=O)N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)c(C)c1Br ZINC000682938603 566178374 /nfs/dbraw/zinc/17/83/74/566178374.db2.gz JKPNGOUZFLAAOG-ZDUSSCGKSA-N 1 0 383.330 2.983 20 0 GFADRO Cc1ccc(C(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)c(C)c1Br ZINC000682938602 566178651 /nfs/dbraw/zinc/17/86/51/566178651.db2.gz JKPNGOUZFLAAOG-CYBMUJFWSA-N 1 0 383.330 2.983 20 0 GFADRO C[NH+]1CCC(n2cc(NS(=O)(=O)CCc3ccc(Cl)cc3)cn2)CC1 ZINC000634795141 566179493 /nfs/dbraw/zinc/17/94/93/566179493.db2.gz JGOKMXKTXFMADJ-UHFFFAOYSA-N 1 0 382.917 2.788 20 0 GFADRO C[NH+](C)C[C@@H]1CCN(S(=O)(=O)c2cc(Cl)cc(Br)c2)C1 ZINC000656905587 566180073 /nfs/dbraw/zinc/18/00/73/566180073.db2.gz YRAQKBRRLWJRMP-JTQLQIEISA-N 1 0 381.723 2.675 20 0 GFADRO C[C@@H](CNC(=O)N[C@@H]1CC12CC[NH2+]CC2)Oc1cccc(Br)c1 ZINC000612978451 566181327 /nfs/dbraw/zinc/18/13/27/566181327.db2.gz XTKQNQKELVDFBV-SWLSCSKDSA-N 1 0 382.302 2.658 20 0 GFADRO COCC[NH+]1CCC(NC(=O)NCc2ccc(C)c(Br)c2)CC1 ZINC000634880816 566182974 /nfs/dbraw/zinc/18/29/74/566182974.db2.gz VQWVLMWUMFCXPG-UHFFFAOYSA-N 1 0 384.318 2.668 20 0 GFADRO O=S1(=O)CCC[C@@H]([NH2+][C@@H]2CCN(c3cccc(Br)c3)C2)CC1 ZINC000634978686 566187289 /nfs/dbraw/zinc/18/72/89/566187289.db2.gz JMBUNFLIPDOBBR-HUUCEWRRSA-N 1 0 387.343 2.585 20 0 GFADRO CCC(=O)N1CCC([NH2+]C[C@H](CO)Cc2ccccc2Br)CC1 ZINC000683206095 566188771 /nfs/dbraw/zinc/18/87/71/566188771.db2.gz MEXIKVYWEFZNLX-CQSZACIVSA-N 1 0 383.330 2.591 20 0 GFADRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2cscc2Cl)[C@H](C)C1 ZINC000635056416 566191543 /nfs/dbraw/zinc/19/15/43/566191543.db2.gz PRJUBFMASCYVCK-TZMCWYRMSA-N 1 0 387.933 2.593 20 0 GFADRO C[N@@H+]1CC[C@@H]2CCN(S(=O)(=O)c3cc(Cl)cc(Br)c3)[C@H]2C1 ZINC000656953296 566191908 /nfs/dbraw/zinc/19/19/08/566191908.db2.gz JVUPMBBCNSHZFT-YGRLFVJLSA-N 1 0 393.734 2.817 20 0 GFADRO C[NH+]1CCC(C)(CNC(=O)c2cc(Br)cc3c2OCCO3)CC1 ZINC000613350412 566195269 /nfs/dbraw/zinc/19/52/69/566195269.db2.gz HUCZBHMPSAVQRZ-UHFFFAOYSA-N 1 0 383.286 2.682 20 0 GFADRO Brc1cc2c(cc1CN1CCC[N@H+](C[C@H]3CCCO3)CC1)OCO2 ZINC000613422709 566197887 /nfs/dbraw/zinc/19/78/87/566197887.db2.gz JBRAGRLNMJRHFD-OAHLLOKOSA-N 1 0 397.313 2.865 20 0 GFADRO Clc1ccc(-n2cc(C[NH2+]CC3(N4CCOCC4)CC3)nn2)c(Cl)c1 ZINC000683436789 566199804 /nfs/dbraw/zinc/19/98/04/566199804.db2.gz XQAKYQVXZVYANK-UHFFFAOYSA-N 1 0 382.295 2.529 20 0 GFADRO CC(C)C[C@@H](C[NH+]1CCCC1)NS(=O)(=O)c1ncccc1Br ZINC000656998845 566203640 /nfs/dbraw/zinc/20/36/40/566203640.db2.gz FKGMNUJTNYLAHG-ZDUSSCGKSA-N 1 0 390.347 2.633 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@@H]1CNS(=O)(=O)Cc1ccc(Br)c(F)c1 ZINC000657036119 566210259 /nfs/dbraw/zinc/21/02/59/566210259.db2.gz ZNQIQPNLIGLUSD-GFCCVEGCSA-N 1 0 393.322 2.880 20 0 GFADRO C[NH+](C)CC1(C(=O)NC[C@H]2CCN(c3cccc(Br)c3)C2)CC1 ZINC000635419229 566212132 /nfs/dbraw/zinc/21/21/32/566212132.db2.gz OQBPLYZAYCMIJO-CQSZACIVSA-N 1 0 380.330 2.733 20 0 GFADRO O=S(=O)(NCC[NH2+]Cc1ccc2cnccc2c1)c1cccc(Cl)c1 ZINC000683766948 566213614 /nfs/dbraw/zinc/21/36/14/566213614.db2.gz ACXKGFIMWRUQIM-UHFFFAOYSA-N 1 0 375.881 2.956 20 0 GFADRO Cc1sc(Br)cc1S(=O)(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000657063590 566215631 /nfs/dbraw/zinc/21/56/31/566215631.db2.gz ZQXGQFIYGCPDFJ-JTQLQIEISA-N 1 0 381.361 2.970 20 0 GFADRO C[NH+](C)CC1(C(=O)NCC2(c3ccc(Br)cc3)CCOCC2)CC1 ZINC000635471068 566215925 /nfs/dbraw/zinc/21/59/25/566215925.db2.gz GGQSOFITMZJHOY-UHFFFAOYSA-N 1 0 395.341 2.955 20 0 GFADRO COc1cc(Br)cc(S(=O)(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)c1 ZINC000657061706 566216184 /nfs/dbraw/zinc/21/61/84/566216184.db2.gz OJPGVVJJUXHOHV-GFCCVEGCSA-N 1 0 391.331 2.609 20 0 GFADRO Cc1c(Br)ccc(C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)c1F ZINC000684055019 566223666 /nfs/dbraw/zinc/22/36/66/566223666.db2.gz VYAVJGFLKISPSJ-ZDUSSCGKSA-N 1 0 385.277 2.880 20 0 GFADRO CC[NH+](CC)CCCN(Cc1ccc(Cl)cc1)S(=O)(=O)[C@H]1CCOC1 ZINC000657121943 566225934 /nfs/dbraw/zinc/22/59/34/566225934.db2.gz CPBJWVJRQLCOJE-SFHVURJKSA-N 1 0 388.961 2.993 20 0 GFADRO Cc1nc(CS(=O)(=O)N2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)cs1 ZINC000684101870 566226785 /nfs/dbraw/zinc/22/67/85/566226785.db2.gz HFCKNKUBPNOOBN-HNNXBMFYSA-N 1 0 379.551 2.878 20 0 GFADRO O=C(c1c[nH]c2ncc(Br)cc12)N1CCN(c2cc[nH+]cc2)CC1 ZINC000684252661 566231102 /nfs/dbraw/zinc/23/11/02/566231102.db2.gz KLIHHNULPCORCF-UHFFFAOYSA-N 1 0 386.253 2.683 20 0 GFADRO C[N@@H+]1CCC[C@@H](CNC(=O)N2CCOc3c(Br)cccc3C2)C1 ZINC000684262773 566231905 /nfs/dbraw/zinc/23/19/05/566231905.db2.gz YECBJVHDLOXJGM-ZDUSSCGKSA-N 1 0 382.302 2.695 20 0 GFADRO C[C@H]1C[C@H](NC(=O)N2CCOc3c(Br)cccc3C2)CC[N@@H+]1C ZINC000684269171 566232028 /nfs/dbraw/zinc/23/20/28/566232028.db2.gz ZJWUANAJKWUIQE-GXTWGEPZSA-N 1 0 382.302 2.836 20 0 GFADRO CC[C@H](C[NH+]1CCCC1)NC(=O)NCCCCn1cc(Br)cn1 ZINC000684273513 566232092 /nfs/dbraw/zinc/23/20/92/566232092.db2.gz MOKDCXVNEHHAFQ-OAHLLOKOSA-N 1 0 386.338 2.599 20 0 GFADRO CC(C)[C@@H]([NH2+]Cc1cscc1Cl)C(=O)N(C)Cc1nnc2n1CCC2 ZINC000684413104 566235457 /nfs/dbraw/zinc/23/54/57/566235457.db2.gz PIUMVTYIDICVAU-MRXNPFEDSA-N 1 0 381.933 2.712 20 0 GFADRO OCCC[N@H+](CCOc1ccc(-c2nn[nH]n2)cc1)[C@H]1CCc2ccccc21 ZINC000738394001 598897962 /nfs/dbraw/zinc/89/79/62/598897962.db2.gz NMLLCASGFPOBDF-FQEVSTJZSA-N 1 0 379.464 2.617 20 0 GFADRO CCOc1ccccc1C[N@H+](C)CCC(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000736653740 598945839 /nfs/dbraw/zinc/94/58/39/598945839.db2.gz MIMIOIFQGNSBLJ-UHFFFAOYSA-N 1 0 380.452 2.726 20 0 GFADRO C[C@@H](CNc1c2ccccc2nnc1-c1nn[nH]n1)[N@@H+]1CCc2ccccc2C1 ZINC000736027094 598957406 /nfs/dbraw/zinc/95/74/06/598957406.db2.gz XDLHYMRBOZBKSX-AWEZNQCLSA-N 1 0 386.463 2.669 20 0 GFADRO O=C(NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)Nc1cccc(-c2nn[nH]n2)c1 ZINC000738050107 598963192 /nfs/dbraw/zinc/96/31/92/598963192.db2.gz NSEWQWJJEIJMIC-SFHVURJKSA-N 1 0 377.452 2.653 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(c2c3ccccc3nnc2-c2nn[nH]n2)C1 ZINC000736269348 598968832 /nfs/dbraw/zinc/96/88/32/598968832.db2.gz WFSFTHGENBKYPW-HZPDHXFCSA-N 1 0 392.511 2.901 20 0 GFADRO COc1ccccc1C[N@H+](CCOc1ccc(-c2nn[nH]n2)cc1OC)C1CC1 ZINC000737150045 598983111 /nfs/dbraw/zinc/98/31/11/598983111.db2.gz KWCNCIPAVVZVDO-UHFFFAOYSA-N 1 0 395.463 2.927 20 0 GFADRO COc1cc(-c2nn[nH]n2)ccc1OCC[N@@H+](Cc1ccco1)C[C@@H]1CCCO1 ZINC000737032346 598984739 /nfs/dbraw/zinc/98/47/39/598984739.db2.gz JUIZQWJVMQNQIR-KRWDZBQOSA-N 1 0 399.451 2.528 20 0 GFADRO CCO[C@@H]1C[C@@H]([N@H+](C)CCC(=O)Nc2ccccc2-c2nn[nH]n2)C12CCCC2 ZINC000736608750 598994574 /nfs/dbraw/zinc/99/45/74/598994574.db2.gz DDXCMFIKPPARBT-QZTJIDSGSA-N 1 0 398.511 2.865 20 0 GFADRO COc1ccc([C@@H]2[C@H](COC(=O)c3cccc(-c4nn[nH]n4)c3)CC[N@@H+]2C)cc1 ZINC000737073764 599028274 /nfs/dbraw/zinc/02/82/74/599028274.db2.gz BOGLVHWOHIZYMP-PKOBYXMFSA-N 1 0 393.447 2.725 20 0 GFADRO COc1ccc([C@@H]2[C@@H](COC(=O)c3cccc(-c4nn[nH]n4)c3)CC[N@@H+]2C)cc1 ZINC000737073757 599028621 /nfs/dbraw/zinc/02/86/21/599028621.db2.gz BOGLVHWOHIZYMP-IEBWSBKVSA-N 1 0 393.447 2.725 20 0 GFADRO C[C@H](CC[NH+](C)C)NC(=O)c1cccc(COc2cccc(-c3nn[nH]n3)c2)c1 ZINC000735986749 599032157 /nfs/dbraw/zinc/03/21/57/599032157.db2.gz PVIVPHLWYHSLBJ-OAHLLOKOSA-N 1 0 394.479 2.516 20 0 GFADRO C[C@@H]1C[C@H](Nc2c(-c3nn[nH]n3)cnc3c(F)ccc(Cl)c32)CC[N@@H+]1C ZINC000820666801 599036438 /nfs/dbraw/zinc/03/64/38/599036438.db2.gz KEYJBRLVYKRUHV-NXEZZACHSA-N 1 0 375.839 2.524 20 0 GFADRO COC1CCC([N@H+](C)CCC(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)CC1 ZINC000736960292 599080457 /nfs/dbraw/zinc/08/04/57/599080457.db2.gz DBMYOYSRANMMOV-UHFFFAOYSA-N 1 0 392.891 2.738 20 0 GFADRO C[C@H]1C[C@@H](NC(=O)c2cccc(Nc3ccc(-c4nn[nH]n4)cc3)c2)CC[N@@H+]1C ZINC000736231716 599106445 /nfs/dbraw/zinc/10/64/45/599106445.db2.gz CIBFTDXXQALNLE-LIRRHRJNSA-N 1 0 391.479 2.823 20 0 GFADRO C[C@@H](c1ccc(-c2nn[nH]n2)cc1)[N@H+](C)C[C@H]1CN(c2ccccc2)C(=O)O1 ZINC000736194585 599130445 /nfs/dbraw/zinc/13/04/45/599130445.db2.gz BIBURXCIQNZPTE-KSSFIOAISA-N 1 0 378.436 2.885 20 0 GFADRO CCc1ccc([C@H]2CCCC[N@@H+]2C[C@@H](O)COc2ccc(-c3nn[nH]n3)cc2)o1 ZINC000736688184 599138766 /nfs/dbraw/zinc/13/87/66/599138766.db2.gz UUNQEAJMHHEIMS-VQIMIIECSA-N 1 0 397.479 2.989 20 0 GFADRO O=C(C[NH+]1CCc2ccccc2CC1)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000737882994 599175908 /nfs/dbraw/zinc/17/59/08/599175908.db2.gz BFZNLAAOOMJYHR-UHFFFAOYSA-N 1 0 382.855 2.559 20 0 GFADRO O=C(NCc1cc(-c2nn[nH]n2)ccc1F)c1cccc(C[NH+]2CCCC2)c1 ZINC000823242362 599177974 /nfs/dbraw/zinc/17/79/74/599177974.db2.gz WDBNVPIVUGRFHG-UHFFFAOYSA-N 1 0 380.427 2.532 20 0 GFADRO C[C@@H]1CCN(C(=O)c2sccc2-c2nn[nH]n2)CC[N@@H+]1Cc1ccccc1 ZINC000820716806 599217172 /nfs/dbraw/zinc/21/71/72/599217172.db2.gz LLDULZTUGMHAIQ-CQSZACIVSA-N 1 0 382.493 2.665 20 0 GFADRO CC(C)[NH+](CCNc1c(-c2nn[nH]n2)cnc2c(F)ccc(F)c21)C(C)C ZINC000735860857 599254550 /nfs/dbraw/zinc/25/45/50/599254550.db2.gz QCDDQVASGMLRMN-UHFFFAOYSA-N 1 0 375.427 2.646 20 0 GFADRO Cc1cc(F)cc2c1ncc(-c1nn[nH]n1)c2NCCC[N@H+]1CCCC[C@@H]1C ZINC000737263029 599259107 /nfs/dbraw/zinc/25/91/07/599259107.db2.gz JENLQFGRRJCAJW-AWEZNQCLSA-N 1 0 383.475 2.961 20 0 GFADRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(CCCOc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000736237361 599271342 /nfs/dbraw/zinc/27/13/42/599271342.db2.gz QANAPYIZNWJVDY-LMMKCTJWSA-N 1 0 384.528 2.973 20 0 GFADRO COc1ccc(OCC[NH+]2CCC(Oc3cccc(-c4nn[nH]n4)c3)CC2)cc1 ZINC000737111369 598250707 /nfs/dbraw/zinc/25/07/07/598250707.db2.gz LMGGUTQPFKAJIF-UHFFFAOYSA-N 1 0 395.463 2.798 20 0 GFADRO O=C(Nc1cccc(F)c1)C1CC[NH+](Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000738182030 598251813 /nfs/dbraw/zinc/25/18/13/598251813.db2.gz DKOTXTBUEWVUNY-UHFFFAOYSA-N 1 0 380.427 2.857 20 0 GFADRO Cc1oc(NC(=O)C[N@@H+]2CC[C@@H](c3ccccc3C)C2)c(-c2nn[nH]n2)c1C ZINC000737420236 598255010 /nfs/dbraw/zinc/25/50/10/598255010.db2.gz DNRQYIZRYLTBND-OAHLLOKOSA-N 1 0 380.452 2.813 20 0 GFADRO C[C@@H](NC(=O)N1CCC[C@H]1C[NH+]1CCCCC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000736114542 598268115 /nfs/dbraw/zinc/26/81/15/598268115.db2.gz UOYMWNTWLMUPDP-QAPCUYQASA-N 1 0 383.500 2.588 20 0 GFADRO CC(C)CN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000735830117 598270919 /nfs/dbraw/zinc/27/09/19/598270919.db2.gz DRPSSPXDRAXKCW-OAHLLOKOSA-N 1 0 385.516 2.517 20 0 GFADRO CC(C)(C)n1cc(-c2nn[nH]n2)cc1NC(=O)NCCC[NH+]1CCCCCC1 ZINC000735661669 598276351 /nfs/dbraw/zinc/27/63/51/598276351.db2.gz WNDRBFKDXUTIEO-UHFFFAOYSA-N 1 0 388.520 2.811 20 0 GFADRO c1cc(C[NH2+][C@H]2CCN(C3CC3)C2)cc(OCc2cccc(-c3nn[nH]n3)c2)c1 ZINC000738409414 598286384 /nfs/dbraw/zinc/28/63/84/598286384.db2.gz AUKKLUVABHPVSE-IBGZPJMESA-N 1 0 390.491 2.772 20 0 GFADRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+](C)CC(C)(C)C)c1-c1nn[nH]n1 ZINC000737203903 598396095 /nfs/dbraw/zinc/39/60/95/598396095.db2.gz WMRGKSLOVONMHM-UHFFFAOYSA-N 1 0 399.499 2.843 20 0 GFADRO C[N@H+](CCNC(=O)c1ccc(Oc2cccc(F)c2-c2nn[nH]n2)cc1)C1CC1 ZINC000736801458 598399925 /nfs/dbraw/zinc/39/99/25/598399925.db2.gz WATUXBWNMYPLOU-UHFFFAOYSA-N 1 0 396.426 2.622 20 0 GFADRO CC(C)C[NH+]1CCC(NC(=O)N(Cc2ccc(-c3nn[nH]n3)cc2)C(C)C)CC1 ZINC000735830050 598427240 /nfs/dbraw/zinc/42/72/40/598427240.db2.gz AWEVQEZANIJNQG-UHFFFAOYSA-N 1 0 399.543 2.907 20 0 GFADRO COc1ccc([C@H]([NH2+]CC(=O)Nc2cccc(-c3nn[nH]n3)c2)C(C)C)cc1 ZINC000737073273 598431374 /nfs/dbraw/zinc/43/13/74/598431374.db2.gz AQRWYXKHDDYHCL-LJQANCHMSA-N 1 0 380.452 2.801 20 0 GFADRO CCCOc1cccc(C[NH2+]C2CCN(c3ccc(-c4nn[nH]n4)cn3)CC2)c1 ZINC000736493119 598466620 /nfs/dbraw/zinc/46/66/20/598466620.db2.gz RYLGMCRUVZIQKH-UHFFFAOYSA-N 1 0 393.495 2.809 20 0 GFADRO CC(C)(C)c1ccc(S(=O)(=O)CC[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000735652961 598471228 /nfs/dbraw/zinc/47/12/28/598471228.db2.gz ZLXHKHFZEPNGAS-UHFFFAOYSA-N 1 0 399.520 2.728 20 0 GFADRO COc1ccc(C2([NH2+]CCOc3cccc(-c4nn[nH]n4)c3)CCOCC2)cc1 ZINC000737076800 598486893 /nfs/dbraw/zinc/48/68/93/598486893.db2.gz QBDQCNMVLKYPPC-UHFFFAOYSA-N 1 0 395.463 2.550 20 0 GFADRO O[C@@H](c1ccc(F)cc1)C1CC[NH+](CCOc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000738383476 598507840 /nfs/dbraw/zinc/50/78/40/598507840.db2.gz CBPOJBPBQFQVDS-FQEVSTJZSA-N 1 0 397.454 2.830 20 0 GFADRO C[C@H]([NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1ccc(Cl)cc1Cl ZINC000736135262 598516897 /nfs/dbraw/zinc/51/68/97/598516897.db2.gz OMURZHGBSQPNBC-VHSXEESVSA-N 1 0 393.282 2.763 20 0 GFADRO CC(C)(C)C[C@@H]([NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1ccccc1 ZINC000735593542 598521496 /nfs/dbraw/zinc/52/14/96/598521496.db2.gz JPCITIKPVORSDB-WMLDXEAASA-N 1 0 380.500 2.872 20 0 GFADRO Cc1cc(N2CCC[C@@H]([NH+](C)C)C2)n2c3ccccc3nc2c1-c1nn[nH]n1 ZINC000737271164 598521608 /nfs/dbraw/zinc/52/16/08/598521608.db2.gz JXDAHTXDSVPCCD-CQSZACIVSA-N 1 0 376.468 2.506 20 0 GFADRO FC(F)(F)c1cc(NC2CC[NH+](C[C@H]3CCCO3)CC2)ccc1-c1nn[nH]n1 ZINC000737633249 598575509 /nfs/dbraw/zinc/57/55/09/598575509.db2.gz PLWVRLAHTVVGAY-CQSZACIVSA-N 1 0 396.417 2.941 20 0 GFADRO O=C(NCc1ccc(-c2nn[nH]n2)cc1)NC[C@@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000738101761 598582550 /nfs/dbraw/zinc/58/25/50/598582550.db2.gz LQCJDYXTGBSJJO-IBGZPJMESA-N 1 0 397.527 2.711 20 0 GFADRO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)Nc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC000736225713 598625520 /nfs/dbraw/zinc/62/55/20/598625520.db2.gz RQSHRMLJUNQEMY-STQMWFEESA-N 1 0 389.479 2.884 20 0 GFADRO CC[NH+](CC)[C@@H](CNC(=O)Nc1ccc(F)c(-c2nn[nH]n2)c1)CC(C)C ZINC000736534453 598630480 /nfs/dbraw/zinc/63/04/80/598630480.db2.gz OPIXKSITYIVMPN-CQSZACIVSA-N 1 0 377.468 2.884 20 0 GFADRO c1ccc(CC[N@@H+]2CC[C@@H](CNc3nc4c(cc3-c3nn[nH]n3)CCC4)C2)cc1 ZINC000738427586 598675352 /nfs/dbraw/zinc/67/53/52/598675352.db2.gz JKMIVHYHFBOCDZ-KRWDZBQOSA-N 1 0 389.507 2.727 20 0 GFADRO CC(C)(C)OC(=O)NC[C@H]1CCC[N@H+](Cc2ccc(F)cc2-c2nn[nH]n2)C1 ZINC000735636499 598681359 /nfs/dbraw/zinc/68/13/59/598681359.db2.gz XFKHBLQLXUWHAD-CYBMUJFWSA-N 1 0 390.463 2.743 20 0 GFADRO O=C(NC1CC[NH+](Cc2ccc(F)cc2-c2nn[nH]n2)CC1)c1ccc(F)cc1 ZINC000738024379 598681591 /nfs/dbraw/zinc/68/15/91/598681591.db2.gz KYBKOKZKIWSECL-UHFFFAOYSA-N 1 0 398.417 2.539 20 0 GFADRO CC[NH+](CC)[C@@H](CNC(=O)CSc1ccc(-c2nn[nH]n2)cc1)CC(C)C ZINC000736535855 598699728 /nfs/dbraw/zinc/69/97/28/598699728.db2.gz ZPHWLSJRIVPCLA-MRXNPFEDSA-N 1 0 390.557 2.832 20 0 GFADRO C[C@@H](CNC(=O)N(C)Cc1ccc(-c2nn[nH]n2)cc1)[N@H+](C)Cc1ccccc1 ZINC000736017982 598716103 /nfs/dbraw/zinc/71/61/03/598716103.db2.gz UDDBMOHKUFNJNJ-INIZCTEOSA-N 1 0 393.495 2.529 20 0 GFADRO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N(C)Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000736402938 598716813 /nfs/dbraw/zinc/71/68/13/598716813.db2.gz QPMVBUBATCCRMC-INIZCTEOSA-N 1 0 399.543 2.909 20 0 GFADRO CC[NH+](CC)[C@@H](C)CNC(=O)c1ccc(Oc2ccc(-c3nn[nH]n3)cn2)cc1 ZINC000736533719 598718205 /nfs/dbraw/zinc/71/82/05/598718205.db2.gz JOFARCBDTFLPTD-AWEZNQCLSA-N 1 0 395.467 2.514 20 0 GFADRO CC(C)[N@H+](CC(=O)Nc1ccc(F)cc1)Cc1ccc(F)cc1-c1nn[nH]n1 ZINC000735859531 598766599 /nfs/dbraw/zinc/76/65/99/598766599.db2.gz VLZDAGQMFHVZOF-UHFFFAOYSA-N 1 0 386.406 2.994 20 0 GFADRO C[C@@H]1C[N@H+](CCC(=O)Nc2sc3c(c2-c2nn[nH]n2)CCCC3)CCS1 ZINC000736284874 598767535 /nfs/dbraw/zinc/76/75/35/598767535.db2.gz HHHSCKMTXYJOJB-LLVKDONJSA-N 1 0 392.554 2.573 20 0 GFADRO CC[C@H](C)[C@@H](O)C[NH2+]Cc1cccc(OCc2cccc(-c3nn[nH]n3)c2)c1 ZINC000736328315 598778199 /nfs/dbraw/zinc/77/81/99/598778199.db2.gz HDPGLXTUPPTRDK-YWZLYKJASA-N 1 0 381.480 2.942 20 0 GFADRO C[C@H]1CCCC[N@@H+]1CCNC(=O)Nc1ccc(-c2nn[nH]n2)c(C(F)(F)F)c1 ZINC000820704051 599293920 /nfs/dbraw/zinc/29/39/20/599293920.db2.gz LNCVSKHQAQTUPE-NSHDSACASA-N 1 0 397.405 2.881 20 0 GFADRO Cc1oc(NC(=O)C[NH2+][C@@H](c2ncccc2C)C(C)C)c(-c2nn[nH]n2)c1C ZINC000737436485 599355945 /nfs/dbraw/zinc/35/59/45/599355945.db2.gz TVCJTYQLIOQZQK-MRXNPFEDSA-N 1 0 383.456 2.705 20 0 GFADRO O[C@H](C[N@H+](CCOc1ccccc1-c1nn[nH]n1)C1CC1)c1ccc(F)cc1 ZINC000738379578 599358554 /nfs/dbraw/zinc/35/85/54/599358554.db2.gz BNORPKKYVIXSNG-GOSISDBHSA-N 1 0 383.427 2.583 20 0 GFADRO C[NH+](C)[C@H](CNc1ccc(Br)cc1-c1nn[nH]n1)c1ccco1 ZINC000736760058 599362259 /nfs/dbraw/zinc/36/22/59/599362259.db2.gz OXIDDOAVSKAXCJ-CYBMUJFWSA-N 1 0 377.246 2.937 20 0 GFADRO C[C@@H]([NH2+][C@@H](C)C(=O)N[C@@H]1CCOc2ccccc21)c1cccc(-c2nn[nH]n2)c1 ZINC000820412164 599390994 /nfs/dbraw/zinc/39/09/94/599390994.db2.gz KPJMWKXMUPCAAB-QWQRMKEZSA-N 1 0 392.463 2.546 20 0 GFADRO c1ccc2c(c1)nc(NCC1([NH+]3CCOCC3)CCCCC1)cc2-c1nn[nH]n1 ZINC000738432024 599396283 /nfs/dbraw/zinc/39/62/83/599396283.db2.gz CLRIIRXCYQVJBC-UHFFFAOYSA-N 1 0 393.495 2.862 20 0 GFADRO C[C@H](NC(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1cccc(-c2nn[nH]n2)c1 ZINC000820649912 599417554 /nfs/dbraw/zinc/41/75/54/599417554.db2.gz PCZOSGIHQYNLIN-OAGGEKHMSA-N 1 0 385.516 2.595 20 0 GFADRO Cc1ccc(CC[N@@H+]2CCCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)cc1 ZINC000737337899 599445875 /nfs/dbraw/zinc/44/58/75/599445875.db2.gz LAVBEEHESXFAFI-UHFFFAOYSA-N 1 0 376.508 2.926 20 0 GFADRO O=C(C[N@H+]1CC[C@H](Cc2ccc(F)cc2)C1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000737876516 599478211 /nfs/dbraw/zinc/47/82/11/599478211.db2.gz REZKZHCXMNWOGO-OAHLLOKOSA-N 1 0 380.427 2.509 20 0 GFADRO Cc1oc(NC(=O)C[N@@H+]2CC[C@@H](Cc3ccc(F)cc3)C2)c(-c2nn[nH]n2)c1C ZINC000737551042 599478750 /nfs/dbraw/zinc/47/87/50/599478750.db2.gz CSGIOFDSLZBWIA-HNNXBMFYSA-N 1 0 398.442 2.719 20 0 GFADRO O[C@H](COc1ccc(-c2nn[nH]n2)cc1)C[N@@H+]1CCCCC[C@H]1c1ccco1 ZINC000738384957 599480019 /nfs/dbraw/zinc/48/00/19/599480019.db2.gz GWGHEDCVBTYAOQ-WMZOPIPTSA-N 1 0 383.452 2.817 20 0 GFADRO CC(C)COc1cccc(C[NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)c1 ZINC000735843909 599486069 /nfs/dbraw/zinc/48/60/69/599486069.db2.gz DOYMTXFWIUDQJE-UHFFFAOYSA-N 1 0 377.452 2.839 20 0 GFADRO COc1ccc(C(C)(C)C[NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)cc1 ZINC000737073114 599489083 /nfs/dbraw/zinc/48/90/83/599489083.db2.gz PNQUKXMBHKIWEZ-UHFFFAOYSA-N 1 0 377.452 2.590 20 0 GFADRO C[C@H]1CN(c2ccc(Cl)cc2-c2nn[nH]n2)CC[N@@H+]1C[C@@H](O)c1ccccc1 ZINC000820776412 599530596 /nfs/dbraw/zinc/53/05/96/599530596.db2.gz LZKYVVDRAAYDCJ-IFXJQAMLSA-N 1 0 398.898 2.764 20 0 GFADRO C[C@H]1CN(c2ccc(Cl)cc2-c2nn[nH]n2)CC[N@@H+]1C[C@H](O)c1ccccc1 ZINC000820776417 599530698 /nfs/dbraw/zinc/53/06/98/599530698.db2.gz LZKYVVDRAAYDCJ-LIRRHRJNSA-N 1 0 398.898 2.764 20 0 GFADRO C[C@@H](C(=O)N(CC[NH+](C)C)Cc1cccc(-c2nn[nH]n2)c1)c1ccsc1 ZINC000735514124 599546038 /nfs/dbraw/zinc/54/60/38/599546038.db2.gz QCBZRBQQJIRORK-CQSZACIVSA-N 1 0 384.509 2.622 20 0 GFADRO CC[C@@H]1CCCC[N@@H+]1CCNc1c(-c2nn[nH]n2)cnc2c(F)ccc(F)c21 ZINC000820982050 599554579 /nfs/dbraw/zinc/55/45/79/599554579.db2.gz ZORHRSDNJNRQBI-GFCCVEGCSA-N 1 0 387.438 2.791 20 0 GFADRO C[N@@H+]1CCC[C@H](CNC(=O)c2cccc(Nc3ccc(-c4nn[nH]n4)cc3)c2)C1 ZINC000736858165 599569876 /nfs/dbraw/zinc/56/98/76/599569876.db2.gz QMCGSPGRHWNXNP-OAHLLOKOSA-N 1 0 391.479 2.682 20 0 GFADRO C[NH+](C)C[C@H]1CCN(C(=O)c2cccc(Nc3ccc(-c4nn[nH]n4)cc3)c2)C1 ZINC000736760767 599570078 /nfs/dbraw/zinc/57/00/78/599570078.db2.gz CHGUAHFMDWKWSI-OAHLLOKOSA-N 1 0 391.479 2.634 20 0 GFADRO C[C@H](C[NH+]1CCN(c2ccccc2)CC1)Nc1ccc(Cl)c(-c2nn[nH]n2)n1 ZINC000820260301 599576322 /nfs/dbraw/zinc/57/63/22/599576322.db2.gz GYHXZPBCONVOMZ-CQSZACIVSA-N 1 0 398.902 2.538 20 0 GFADRO C[C@H]1c2c(F)cccc2CC[N@H+]1CCC(=O)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000736301236 599591619 /nfs/dbraw/zinc/59/16/19/599591619.db2.gz MZISVJPQINWDQD-ZDUSSCGKSA-N 1 0 380.427 2.954 20 0 GFADRO CC(C)[C@@H]1C[N@H+](CCC(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)CCS1 ZINC000820043949 599643963 /nfs/dbraw/zinc/64/39/63/599643963.db2.gz DIDISYOKRQVVDZ-HNNXBMFYSA-N 1 0 394.932 2.922 20 0 GFADRO CC[C@@H]1C[N@H+](CCC(=O)Nc2sc3c(c2-c2nn[nH]n2)CCC3)CCS1 ZINC000820994594 599645671 /nfs/dbraw/zinc/64/56/71/599645671.db2.gz IZUFXDOCJIOOGN-LLVKDONJSA-N 1 0 392.554 2.573 20 0 GFADRO CC(C)Oc1ccc(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1-c1nn[nH]n1 ZINC000820166358 607426239 /nfs/dbraw/zinc/42/62/39/607426239.db2.gz WPXNEQTXHMYEFK-MQVJKMGUSA-N 1 0 399.499 2.791 20 0 GFADRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)NC1(c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000824875723 607453375 /nfs/dbraw/zinc/45/33/75/607453375.db2.gz OCEKCBFSCMOCBY-BZUAXINKSA-N 1 0 397.527 2.521 20 0 GFADRO C[C@@H]([C@H]1Cc2ccccc2O1)[N@H+](C)CCC(=O)Nc1sccc1-c1nn[nH]n1 ZINC000824377778 607472240 /nfs/dbraw/zinc/47/22/40/607472240.db2.gz MZERXNOXDIIVCP-BLLLJJGKSA-N 1 0 398.492 2.581 20 0 GFADRO C[C@H]([C@@H]1Cc2ccccc2O1)[N@H+](C)CCC(=O)Nc1ccccc1-c1nn[nH]n1 ZINC000824377282 607472733 /nfs/dbraw/zinc/47/27/33/607472733.db2.gz AQOQIOAHEXGPKI-KUHUBIRLSA-N 1 0 392.463 2.519 20 0 GFADRO Fc1cc(-c2nn[nH]n2)ccc1C[NH2+]CCC1CCN(CC(F)(F)F)CC1 ZINC000822740746 607486943 /nfs/dbraw/zinc/48/69/43/607486943.db2.gz NLTDGOKYEWRZLL-UHFFFAOYSA-N 1 0 386.397 2.760 20 0 GFADRO c1ccc(C[N@H+]2CCC[C@]3(CCN(Cc4ccnc(-c5nn[nH]n5)c4)C3)C2)cc1 ZINC000826521259 607511893 /nfs/dbraw/zinc/51/18/93/607511893.db2.gz GISVZDJKUPTNKU-QFIPXVFZSA-N 1 0 389.507 2.750 20 0 GFADRO CCN(C[C@@H]1CC[N@H+](Cc2ccc(OC)c(-c3nn[nH]n3)c2)C1)CC(F)(F)F ZINC000825417184 607509395 /nfs/dbraw/zinc/50/93/95/607509395.db2.gz PDRWIUFYSLEGBS-AWEZNQCLSA-N 1 0 398.433 2.581 20 0 GFADRO CC[N@H+](CC(=O)Nc1ccc(OCc2cccc(-c3nn[nH]n3)c2)cc1)C1CC1 ZINC000825395984 607570434 /nfs/dbraw/zinc/57/04/34/607570434.db2.gz YTIDQTIRKOQEDV-UHFFFAOYSA-N 1 0 392.463 2.869 20 0 GFADRO C[C@@H]1C[NH+](Cc2ccc(C[NH2+]C[C@H]3CCCN(C(=O)[O-])C3)cc2)C[C@@H](C)O1 ZINC000739186319 603265152 /nfs/dbraw/zinc/26/51/52/603265152.db2.gz DVAKMOSSWSUJFQ-MBOZVWFJSA-N 1 0 375.513 2.775 20 0 GFADRO Cc1cc(-c2nn[nH]n2)ccc1C(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000826246716 607658512 /nfs/dbraw/zinc/65/85/12/607658512.db2.gz JZHWGPDPDUEADY-IBGZPJMESA-N 1 0 376.464 2.742 20 0 GFADRO O=C([O-])CCC[NH+]1CCC([NH2+]CCc2coc(-c3ccc(F)cc3)n2)CC1 ZINC000833772860 605225510 /nfs/dbraw/zinc/22/55/10/605225510.db2.gz CXSUWQDGOSSWJY-UHFFFAOYSA-N 1 0 375.444 2.942 20 0 GFADRO O=C([O-])NC[C@@H]1CCCC[C@H]1[NH2+]CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000834224487 605611513 /nfs/dbraw/zinc/61/15/13/605611513.db2.gz YKGWIQQTZYXJIZ-PWRODBHTSA-N 1 0 389.540 2.848 20 0 GFADRO O=C([O-])N[C@@H]1C[C@@H]([NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)c2ccccc21 ZINC000834157108 605915956 /nfs/dbraw/zinc/91/59/56/605915956.db2.gz FYOVSHZCYVFUCM-IOMROCGXSA-N 1 0 381.476 2.797 20 0 GFADRO CCOc1ccc(-c2nn[nH]n2)cc1NC(=O)NCCC[NH+](C(C)C)C(C)C ZINC000821412525 606059375 /nfs/dbraw/zinc/05/93/75/606059375.db2.gz NPBMCAHMNBGFNY-UHFFFAOYSA-N 1 0 389.504 2.896 20 0 GFADRO Cc1nc2ccccn2c1C[N@@H+]1CCCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000822461886 606101217 /nfs/dbraw/zinc/10/12/17/606101217.db2.gz BBPPXLVATYZYMW-UHFFFAOYSA-N 1 0 388.479 2.535 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)Nc1ccc(-c2nn[nH]n2)c(C(F)(F)F)c1 ZINC000821254183 606120181 /nfs/dbraw/zinc/12/01/81/606120181.db2.gz KAZLEHXAXLFKSV-GFCCVEGCSA-N 1 0 397.405 2.834 20 0 GFADRO O=C(CCc1ccc(-c2nn[nH]n2)cc1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000822978163 606125486 /nfs/dbraw/zinc/12/54/86/606125486.db2.gz DPHQXHMWKIBVMV-UHFFFAOYSA-N 1 0 382.512 2.713 20 0 GFADRO C[C@@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000820722589 606153866 /nfs/dbraw/zinc/15/38/66/606153866.db2.gz KGXGWNFBKJCACQ-MRXNPFEDSA-N 1 0 391.479 2.995 20 0 GFADRO CC[C@@H](C)[C@H]1CCCC[N@@H+]1CCS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000820859607 606189589 /nfs/dbraw/zinc/18/95/89/606189589.db2.gz GCXNXTYFJFGYCN-RHSMWYFYSA-N 1 0 377.514 2.541 20 0 GFADRO FC(F)Oc1ccccc1N1CC[C@H]([NH2+]Cc2cc(-c3nn[nH]n3)cs2)C1 ZINC000822736827 606220718 /nfs/dbraw/zinc/22/07/18/606220718.db2.gz KWDRNLPUFINEAX-LBPRGKRZSA-N 1 0 392.435 2.898 20 0 GFADRO C[C@H]([NH2+]CCS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)c1cccc(Cl)c1 ZINC000820427587 606307706 /nfs/dbraw/zinc/30/77/06/606307706.db2.gz UAYMLAARIGNILY-LBPRGKRZSA-N 1 0 391.884 2.645 20 0 GFADRO C[C@@H]1[C@@H](c2ccccc2)CC[N@@H+]1[C@H]1CCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000820643571 606337745 /nfs/dbraw/zinc/33/77/45/606337745.db2.gz XCQXTHXRKYLBLE-XPGWFJOJSA-N 1 0 388.475 2.850 20 0 GFADRO O=C(NCc1ccco1)c1cccc(C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)c1 ZINC000823261701 606411958 /nfs/dbraw/zinc/41/19/58/606411958.db2.gz QTMIQFLPJZHYRA-UHFFFAOYSA-N 1 0 394.460 2.741 20 0 GFADRO O[C@@H]([C@H](Cc1ccccc1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1)C(F)(F)F ZINC000823673752 606421212 /nfs/dbraw/zinc/42/12/12/606421212.db2.gz NKLJIQRTUXMVCG-JSGCOSHPSA-N 1 0 383.399 2.552 20 0 GFADRO CC[C@H](C[NH2+]Cc1cnc2ccc(-c3nn[nH]n3)cn12)Oc1ccccc1F ZINC000820907460 606427247 /nfs/dbraw/zinc/42/72/47/606427247.db2.gz CXQKKHBLDZNNCK-OAHLLOKOSA-N 1 0 381.415 2.601 20 0 GFADRO Cc1nnc(N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c(-c2nn[nH]n2)c1C ZINC000822515899 606471362 /nfs/dbraw/zinc/47/13/62/606471362.db2.gz RFJZWJVJGNYCCV-CXAGYDPISA-N 1 0 378.484 2.596 20 0 GFADRO FC(F)Oc1cc(-c2nn[nH]n2)ccc1CN1CCC[N@@H+](C2CCCC2)CC1 ZINC000822733371 606499878 /nfs/dbraw/zinc/49/98/78/606499878.db2.gz ZPBYFNOJOBYIFV-UHFFFAOYSA-N 1 0 392.454 2.918 20 0 GFADRO O=C(Cc1cccc(-c2nn[nH]n2)c1)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000823088484 606531860 /nfs/dbraw/zinc/53/18/60/606531860.db2.gz YPZYCAZUQVXBBR-UHFFFAOYSA-N 1 0 382.512 2.524 20 0 GFADRO OCC1CC[NH+](Cc2ccccc2NCc2ccc(-c3nn[nH]n3)s2)CC1 ZINC000823713052 606657857 /nfs/dbraw/zinc/65/78/57/606657857.db2.gz COFYYLIIQKYPFA-UHFFFAOYSA-N 1 0 384.509 2.745 20 0 GFADRO O=C(NC1CCC([NH+]2CCCCC2)CC1)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000823144563 606686129 /nfs/dbraw/zinc/68/61/29/606686129.db2.gz IRNAYLUUWCUKRI-UHFFFAOYSA-N 1 0 390.438 2.672 20 0 GFADRO Cc1cccc(C(=O)N(CC[NH+](C)C)Cc2cccc(-c3nn[nH]n3)c2)c1F ZINC000822284318 606714225 /nfs/dbraw/zinc/71/42/25/606714225.db2.gz ONNVTVUEEDBVQT-UHFFFAOYSA-N 1 0 382.443 2.518 20 0 GFADRO C[C@]1(c2ccccc2)CC[N@H+](CCC(=O)Nc2sccc2-c2nn[nH]n2)C1 ZINC000820635260 606718232 /nfs/dbraw/zinc/71/82/32/606718232.db2.gz LHCWAIZDZIXDST-IBGZPJMESA-N 1 0 382.493 2.920 20 0 GFADRO CC(C)Oc1ccc(-c2nn[nH]n2)cc1NC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000820151703 606832800 /nfs/dbraw/zinc/83/28/00/606832800.db2.gz NCKJFVOWWXFMBV-BBRMVZONSA-N 1 0 387.488 2.504 20 0 GFADRO CC(C)[C@H]([NH2+]C[C@H](O)c1ccc(-c2nn[nH]n2)cc1)c1ccc2c(c1)OCCO2 ZINC000820026131 606848085 /nfs/dbraw/zinc/84/80/85/606848085.db2.gz IEQXBGLPNBTRQF-PXNSSMCTSA-N 1 0 395.463 2.658 20 0 GFADRO COc1ccc(C2CC[NH+](C[C@@H](O)c3ccc(-c4nn[nH]n4)cc3)CC2)cc1 ZINC000821787471 606861689 /nfs/dbraw/zinc/86/16/89/606861689.db2.gz ULTYVVMEZROHNP-HXUWFJFHSA-N 1 0 379.464 2.788 20 0 GFADRO C[N@H+](CCCOc1cccc(-c2nn[nH]n2)c1)Cc1ccc2c(c1)OCCO2 ZINC000821600685 606883200 /nfs/dbraw/zinc/88/32/00/606883200.db2.gz YMZSWCMGVSKXRF-UHFFFAOYSA-N 1 0 381.436 2.539 20 0 GFADRO COc1ccccc1C[C@H]1CCC[N@@H+]1C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821890033 606889910 /nfs/dbraw/zinc/88/99/10/606889910.db2.gz JDJOQXDWXJHYHJ-RTBURBONSA-N 1 0 379.464 2.616 20 0 GFADRO CC(C)[C@H]1c2ccccc2CC[N@H+]1CC(=O)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000820050678 606916152 /nfs/dbraw/zinc/91/61/52/606916152.db2.gz FACQJPIDMJFSJT-NRFANRHFSA-N 1 0 390.491 2.738 20 0 GFADRO COC(=O)[C@@H](C)[C@H]([NH2+]CCCOc1cccc(-c2nn[nH]n2)c1)c1ccccc1 ZINC000821638941 606930122 /nfs/dbraw/zinc/93/01/22/606930122.db2.gz LRCSVBMSWIGFHT-KXBFYZLASA-N 1 0 395.463 2.776 20 0 GFADRO CC[NH+](CC)CCO[C@@H]1CCN(c2ccc(C(F)(F)F)cc2-c2nn[nH]n2)C1 ZINC000821189831 606941199 /nfs/dbraw/zinc/94/11/99/606941199.db2.gz VIBOTFLNUHECSZ-CQSZACIVSA-N 1 0 398.433 2.823 20 0 GFADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)N(Cc1ccc(-c2nn[nH]n2)cc1)C(C)C ZINC000820903168 606987069 /nfs/dbraw/zinc/98/70/69/606987069.db2.gz RLASCKBMFPZIGR-SFHVURJKSA-N 1 0 385.516 2.661 20 0 GFADRO COc1ccc([C@@H](C)[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)cc1Cn1cccn1 ZINC000821778141 606999558 /nfs/dbraw/zinc/99/95/58/606999558.db2.gz VLCQPZGYHBFNGJ-OAHLLOKOSA-N 1 0 389.463 2.971 20 0 GFADRO Fc1ccc2c(c1)CC[C@H]2[NH2+]C1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1 ZINC000822786583 607046774 /nfs/dbraw/zinc/04/67/74/607046774.db2.gz MWVOWWLMSXJKPL-GOSISDBHSA-N 1 0 379.443 2.647 20 0 GFADRO Clc1ccc2c(c1)C[C@H]([NH2+]C1CCN(c3ccc(-c4nn[nH]n4)cn3)CC1)C2 ZINC000822582169 607049061 /nfs/dbraw/zinc/04/90/61/607049061.db2.gz RWPCRMTXHSQTPM-GOSISDBHSA-N 1 0 395.898 2.641 20 0 GFADRO Fc1ccc(CC[NH+]2CCC(NCc3ccc(-c4nn[nH]n4)cc3F)CC2)cc1 ZINC000822766450 607058333 /nfs/dbraw/zinc/05/83/33/607058333.db2.gz JKASNWDANGNNCR-UHFFFAOYSA-N 1 0 398.461 2.942 20 0 GFADRO Cc1cccc(NC(=O)[C@H]2CCC[N@H+](Cc3cc(F)ccc3-c3nn[nH]n3)C2)n1 ZINC000822324114 607058696 /nfs/dbraw/zinc/05/86/96/607058696.db2.gz VVLSMUXIBFFILH-AWEZNQCLSA-N 1 0 395.442 2.560 20 0 GFADRO O=C(Nc1ccc(OCC[NH+]2CCCCC2)cc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823350224 607165503 /nfs/dbraw/zinc/16/55/03/607165503.db2.gz FAOFKCCROMRYIS-UHFFFAOYSA-N 1 0 392.463 2.984 20 0 GFADRO O=C(NCCC[NH2+]C1CCCCC1)Nc1ccc(-c2nn[nH]n2)cc1Cl ZINC000823192231 607201257 /nfs/dbraw/zinc/20/12/57/607201257.db2.gz UDBDMPIJUNOORB-UHFFFAOYSA-N 1 0 377.880 2.954 20 0 GFADRO Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)COc1ccccc1-c1nn[nH]n1 ZINC000822237195 607228625 /nfs/dbraw/zinc/22/86/25/607228625.db2.gz JHILTFZGTCLTPI-UHFFFAOYSA-N 1 0 392.463 2.788 20 0 GFADRO CC[N@@H+]1CCN(C(=O)c2cccc(Nc3ccc(-c4nn[nH]n4)cc3)c2)C[C@H]1C ZINC000825458225 607825544 /nfs/dbraw/zinc/82/55/44/607825544.db2.gz ARFPIWKVNPRJEN-OAHLLOKOSA-N 1 0 391.479 2.777 20 0 GFADRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2c(Cl)cc(-c3nn[nH]n3)cc2Cl)C1 ZINC000825391036 607834994 /nfs/dbraw/zinc/83/49/94/607834994.db2.gz SPSPJJZVVCQFDP-SNVBAGLBSA-N 1 0 383.283 2.587 20 0 GFADRO C[NH+](C)CCN(Cc1cccc(C(F)(F)F)c1)c1cccc(-c2nn[nH]n2)n1 ZINC000825865635 607902001 /nfs/dbraw/zinc/90/20/01/607902001.db2.gz IYWYOHGURCUJON-UHFFFAOYSA-N 1 0 391.401 2.849 20 0 GFADRO c1nc2ccccc2n1C[C@@H]1CCC[N@H+]1CCOc1cccc(-c2nn[nH]n2)c1 ZINC000826517577 607959071 /nfs/dbraw/zinc/95/90/71/607959071.db2.gz IGGBDKMACVLDOT-KRWDZBQOSA-N 1 0 389.463 2.760 20 0 GFADRO CC(C)N1CC[NH+](C2CCN(c3cc(Cl)ccc3-c3nn[nH]n3)CC2)CC1 ZINC000824301161 608017637 /nfs/dbraw/zinc/01/76/37/608017637.db2.gz RWXFZRKVPWMHRK-UHFFFAOYSA-N 1 0 389.935 2.515 20 0 GFADRO CC(C)N1CC[NH+](C2CCN(c3ccc(Cl)cc3-c3nn[nH]n3)CC2)CC1 ZINC000824300298 608017785 /nfs/dbraw/zinc/01/77/85/608017785.db2.gz FAIGTBITYXZZMH-UHFFFAOYSA-N 1 0 389.935 2.515 20 0 GFADRO C[NH2+]CCCc1[nH]nc(NC(=O)C[C@@H](c2ccccc2)C(C)C)c1-c1nn[nH]n1 ZINC000826077152 608021820 /nfs/dbraw/zinc/02/18/20/608021820.db2.gz BLGICGJGMHEKOS-OAHLLOKOSA-N 1 0 396.499 2.510 20 0 GFADRO CC[C@H](CC(=O)Nc1n[nH]c(CCC[NH2+]C)c1-c1nn[nH]n1)c1ccc(C)cc1 ZINC000825081148 608021973 /nfs/dbraw/zinc/02/19/73/608021973.db2.gz GTNZDOSFYMLBLK-CQSZACIVSA-N 1 0 396.499 2.573 20 0 GFADRO C[N@H+](CCCc1[nH]nc(N)c1-c1nn[nH]n1)Cc1cc(Cl)ccc1Cl ZINC000825933922 608034519 /nfs/dbraw/zinc/03/45/19/608034519.db2.gz IUCFMDQKVOXMES-UHFFFAOYSA-N 1 0 381.271 2.543 20 0 GFADRO Fc1cccc(C[N@H+](CCn2ccnc2)Cc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000826376505 608088886 /nfs/dbraw/zinc/08/88/86/608088886.db2.gz GUJDZVABRJPZGJ-UHFFFAOYSA-N 1 0 377.427 2.905 20 0 GFADRO Cc1cc(C)cc([C@@H]2CC[N@H+](CC(=O)Nc3ccc(-c4nn[nH]n4)cc3)C2)c1 ZINC000826264457 608128431 /nfs/dbraw/zinc/12/84/31/608128431.db2.gz PDACXTJDVHHHCE-QGZVFWFLSA-N 1 0 376.464 2.912 20 0 GFADRO C[C@]1([NH2+]Cc2ccc(-c3nn[nH]n3)cc2Br)CCO[C@@H]1C1CC1 ZINC000824838303 608133024 /nfs/dbraw/zinc/13/30/24/608133024.db2.gz NSWWIPIXMYCPKW-ZBFHGGJFSA-N 1 0 378.274 2.676 20 0 GFADRO O=C(N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12)c1cc(-c2nn[nH]n2)cs1 ZINC000826429734 608135004 /nfs/dbraw/zinc/13/50/04/608135004.db2.gz LRQBURRALFQHBB-DJIMGWMZSA-N 1 0 394.504 2.569 20 0 GFADRO Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)n1C[N@H+]1CC[C@@H](C)C2(CCC2)C1 ZINC000826334596 608151238 /nfs/dbraw/zinc/15/12/38/608151238.db2.gz BEFPLMKPGLBOHV-CQSZACIVSA-N 1 0 378.484 2.903 20 0 GFADRO NC(=NOCc1cccc(-c2nn[nH]n2)c1)c1ccccc1C[NH+]1CCCCC1 ZINC000826389282 608152760 /nfs/dbraw/zinc/15/27/60/608152760.db2.gz UOAVBGXDSDBALX-UHFFFAOYSA-N 1 0 391.479 2.899 20 0 GFADRO O=C([C@@H]1CC12CC[NH+](Cc1ccc(-c3nn[nH]n3)cc1F)CC2)N1CCCCC1 ZINC000826398547 608212415 /nfs/dbraw/zinc/21/24/15/608212415.db2.gz ZCLMTSTUWIWXLF-KRWDZBQOSA-N 1 0 398.486 2.620 20 0 GFADRO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]CCOc1ccc(-c2nn[nH]n2)cc1 ZINC000824985572 608281377 /nfs/dbraw/zinc/28/13/77/608281377.db2.gz XNFWVCPFPZXCMN-DYESRHJHSA-N 1 0 392.507 2.746 20 0 GFADRO C[C@H](NC(=O)N1CCC(CCC[NH+](C)C)CC1)c1cccc(-c2nn[nH]n2)c1 ZINC000824490912 608332905 /nfs/dbraw/zinc/33/29/05/608332905.db2.gz RAPGALRFBFVHJX-HNNXBMFYSA-N 1 0 385.516 2.691 20 0 GFADRO COc1cc(-c2nn[nH]n2)ccc1C[N@H+](C)[C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000826167727 608354449 /nfs/dbraw/zinc/35/44/49/608354449.db2.gz OWEUOFPWQMUAMD-AWEZNQCLSA-N 1 0 390.451 2.649 20 0 GFADRO COc1cc(-c2nn[nH]n2)ccc1C[N@@H+]1CC[C@](O)(Cc2cccc(Cl)c2)C1 ZINC000826168504 608379255 /nfs/dbraw/zinc/37/92/55/608379255.db2.gz POMQEXVLJJKDMM-FQEVSTJZSA-N 1 0 399.882 2.708 20 0 GFADRO COc1ccc([C@](C)(O)[C@H]2CCC[N@@H+]2Cc2cccc(-c3nn[nH]n3)c2F)cc1 ZINC000826188068 608418633 /nfs/dbraw/zinc/41/86/33/608418633.db2.gz MVFMDXGNNIFANN-NQIIRXRSSA-N 1 0 397.454 2.887 20 0 GFADRO Cc1ccc([C@@H](C)[NH2+]CCS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)cc1C ZINC000826282857 608443018 /nfs/dbraw/zinc/44/30/18/608443018.db2.gz DLGHEGMMIRTZKC-OAHLLOKOSA-N 1 0 385.493 2.608 20 0 GFADRO C[C@H]([NH2+]CC(=O)Nc1ccc(-c2nn[nH]n2)cc1)c1ccc(OC(F)F)cc1 ZINC000824562885 608445714 /nfs/dbraw/zinc/44/57/14/608445714.db2.gz KOBCQIXHAJYCFX-NSHDSACASA-N 1 0 388.378 2.757 20 0 GFADRO COc1cc([C@@H](C)[NH2+]Cc2ccc(F)cc2-c2nn[nH]n2)cc(OC)c1OC ZINC000826177351 608449299 /nfs/dbraw/zinc/44/92/99/608449299.db2.gz FGWFCRZBBJAKQI-LLVKDONJSA-N 1 0 387.415 2.882 20 0 GFADRO c1ccc2c(c1)OC[C@@H](C[N@H+]1CC=C(c3ccc(-c4nn[nH]n4)cc3)CC1)O2 ZINC000823868160 608461225 /nfs/dbraw/zinc/46/12/25/608461225.db2.gz PBQPKZJAFOTSCK-GOSISDBHSA-N 1 0 375.432 2.796 20 0 GFADRO C[C@H]([NH2+]CC(=O)N1CCSc2ccccc21)c1ccc(-c2nn[nH]n2)cc1 ZINC000824554909 608461919 /nfs/dbraw/zinc/46/19/19/608461919.db2.gz SOOHAIXWFRSANE-ZDUSSCGKSA-N 1 0 380.477 2.656 20 0 GFADRO COc1ccc(Cl)cc1NC(=O)C[NH2+][C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000826208439 608464399 /nfs/dbraw/zinc/46/43/99/608464399.db2.gz KOFIFPVDGQVWCV-LLVKDONJSA-N 1 0 386.843 2.818 20 0 GFADRO COc1cc(-c2nn[nH]n2)ccc1C[NH2+][C@H](C)c1ccc(N2CCOC2=O)cc1 ZINC000826169702 608475463 /nfs/dbraw/zinc/47/54/63/608475463.db2.gz BHYZTZUOBIDQJS-CYBMUJFWSA-N 1 0 394.435 2.683 20 0 GFADRO COc1ccc(-c2nn[nH]n2)cc1C[NH2+][C@H](C)c1cccc(N2CCCC2=O)c1 ZINC000826184318 608476379 /nfs/dbraw/zinc/47/63/79/608476379.db2.gz SIMGLLSBUGFXQE-CQSZACIVSA-N 1 0 392.463 2.853 20 0 GFADRO C[C@H]([NH2+]C[C@@H](O)COc1ccc(-c2nn[nH]n2)cc1)C(C)(C)c1ccccc1 ZINC000824572027 608476873 /nfs/dbraw/zinc/47/68/73/608476873.db2.gz SEYBUJMCAHBSJR-MAUKXSAKSA-N 1 0 381.480 2.562 20 0 GFADRO C[C@H]([NH2+]CC(=O)N(Cc1ccccc1)C1CC1)c1cccc(-c2nn[nH]n2)c1 ZINC000824553525 608480263 /nfs/dbraw/zinc/48/02/63/608480263.db2.gz CCSFKGVYWUILEE-HNNXBMFYSA-N 1 0 376.464 2.709 20 0 GFADRO C[C@H]([NH2+]CC(=O)N1CCSc2ccccc21)c1cccc(-c2nn[nH]n2)c1 ZINC000824553628 608484287 /nfs/dbraw/zinc/48/42/87/608484287.db2.gz DUTATEVVBRCCEE-ZDUSSCGKSA-N 1 0 380.477 2.656 20 0 GFADRO C[NH+](C)Cc1cccc(C(=O)N2CC=C(c3ccc(-c4nn[nH]n4)cc3)CC2)c1 ZINC000825870116 608488533 /nfs/dbraw/zinc/48/85/33/608488533.db2.gz AFNLJLHATVKCCW-UHFFFAOYSA-N 1 0 388.475 2.858 20 0 GFADRO C[C@H]([NH2+]CC(=O)N1c2ccccc2CC[C@H]1C)c1cccc(-c2nn[nH]n2)c1 ZINC000824553789 608489290 /nfs/dbraw/zinc/48/92/90/608489290.db2.gz IATSZRMNVKZUHJ-CABCVRRESA-N 1 0 376.464 2.885 20 0 GFADRO CCOC(=O)N[C@@H](C[NH2+][C@@H]1CCCc2cc(-c3nn[nH]n3)ccc21)CC(C)C ZINC000825523460 608498444 /nfs/dbraw/zinc/49/84/44/608498444.db2.gz QHUHYVVQSQMBTF-SJLPKXTDSA-N 1 0 386.500 2.995 20 0 GFADRO COc1ccc(OC)c([C@@H](O)C[NH2+][C@H]2CCCc3cc(-c4nn[nH]n4)ccc32)c1 ZINC000826210916 608498970 /nfs/dbraw/zinc/49/89/70/608498970.db2.gz JFBBXRLTMJCDNA-OALUTQOASA-N 1 0 395.463 2.585 20 0 GFADRO CN(C(=O)CC[NH2+][C@@H]1CCCc2cc(-c3nn[nH]n3)ccc21)c1ccccc1 ZINC000825817740 608505089 /nfs/dbraw/zinc/50/50/89/608505089.db2.gz NYSARMIYUFDPRA-LJQANCHMSA-N 1 0 376.464 2.887 20 0 GFADRO C[C@@H]([NH2+][C@H]1CCCc2cc(-c3nn[nH]n3)ccc21)C(=O)NCc1ccccc1 ZINC000824547658 608505288 /nfs/dbraw/zinc/50/52/88/608505288.db2.gz REGPDCBEKLGFLP-KUHUBIRLSA-N 1 0 376.464 2.539 20 0 GFADRO O=C(CC[NH2+][C@H]1CCCc2cc(-c3nn[nH]n3)ccc21)NCc1ccccc1 ZINC000826407489 608507946 /nfs/dbraw/zinc/50/79/46/608507946.db2.gz ORKYHFCPDHRILC-IBGZPJMESA-N 1 0 376.464 2.540 20 0 GFADRO CC(C)COc1ccc(C[NH+]2CCN(c3ncccc3-c3nn[nH]n3)CC2)cc1 ZINC000824272322 608508689 /nfs/dbraw/zinc/50/86/89/608508689.db2.gz WAZYBCIRIDGJGD-UHFFFAOYSA-N 1 0 393.495 2.619 20 0 GFADRO FC(F)(F)Cn1cc(C[NH2+][C@@H]2CCCc3cc(-c4nn[nH]n4)ccc32)cn1 ZINC000826367656 608518118 /nfs/dbraw/zinc/51/81/18/608518118.db2.gz IXNDUVIIWZMACU-OAHLLOKOSA-N 1 0 377.374 2.793 20 0 GFADRO CC(C)c1nc2n(n1)C[C@H]([NH2+][C@H]1CCCc3cc(-c4nn[nH]n4)ccc31)CC2 ZINC000824364995 608519481 /nfs/dbraw/zinc/51/94/81/608519481.db2.gz XSDXZBMXABICKS-WBVHZDCISA-N 1 0 378.484 2.564 20 0 GFADRO COC[C@H]([NH2+]CCOc1ccc(-c2nn[nH]n2)cc1)c1ccc(F)c(F)c1 ZINC000826150882 608521375 /nfs/dbraw/zinc/52/13/75/608521375.db2.gz NTJSVCXYGMPHBN-KRWDZBQOSA-N 1 0 375.379 2.501 20 0 GFADRO O=C(C[NH2+]C1(c2cccc(-c3nn[nH]n3)c2)CC1)N(Cc1ccccc1)C1CC1 ZINC000826412439 608528403 /nfs/dbraw/zinc/52/84/03/608528403.db2.gz NZUNLLICWMMPCK-UHFFFAOYSA-N 1 0 388.475 2.637 20 0 GFADRO Cc1cc(C)n2c(C[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C(C)C)cnc2n1 ZINC000826265530 608532891 /nfs/dbraw/zinc/53/28/91/608532891.db2.gz CUNQYIULETYNTM-UHFFFAOYSA-N 1 0 376.468 2.937 20 0 GFADRO C[C@H]([NH2+]C[C@H](O)COc1ccc(-c2nn[nH]n2)cc1)c1ccc(F)cc1Cl ZINC000824572409 608534642 /nfs/dbraw/zinc/53/46/42/608534642.db2.gz URHJEKPELNAPIG-FZMZJTMJSA-N 1 0 391.834 2.750 20 0 GFADRO C[C@@H]([NH2+]CCOc1cccc(-c2nn[nH]n2)c1)c1ccc(-n2cccn2)cc1 ZINC000824599432 608550682 /nfs/dbraw/zinc/55/06/82/608550682.db2.gz ORHWWXBGOIKFKI-OAHLLOKOSA-N 1 0 375.436 2.782 20 0 GFADRO O[C@H](C[NH2+][C@H](C[C@H]1CCOC1)c1ccccc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000826502440 608553040 /nfs/dbraw/zinc/55/30/40/608553040.db2.gz CRNCQTHTIZMOGN-CDHQVMDDSA-N 1 0 379.464 2.658 20 0 GFADRO Cc1nc(C)c(C[NH2+]C2CCC(Oc3ccc(-c4nn[nH]n4)cn3)CC2)s1 ZINC000826324333 608570575 /nfs/dbraw/zinc/57/05/75/608570575.db2.gz MPIPPOMLVQUBAW-UHFFFAOYSA-N 1 0 385.497 2.815 20 0 GFADRO CC1(C)CCc2ccccc2[C@@H]1[NH2+]C[C@@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000824807179 608579589 /nfs/dbraw/zinc/57/95/89/608579589.db2.gz FXNTWMLOSRIVPL-XLIONFOSSA-N 1 0 393.491 2.910 20 0 GFADRO CC(C)(C)OC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)s1 ZINC000824109085 608638019 /nfs/dbraw/zinc/63/80/19/608638019.db2.gz MUGGSVLBWSTLJB-LBPRGKRZSA-N 1 0 378.502 2.807 20 0 GFADRO c1ccc(-c2nn[nH]n2)c(COc2cccc(CN3CC[N@@H+]4CCC[C@H]4C3)c2)c1 ZINC000826516090 608693104 /nfs/dbraw/zinc/69/31/04/608693104.db2.gz WNVMKPJVWVBAPZ-IBGZPJMESA-N 1 0 390.491 2.726 20 0 GFADRO CCC[N@H+](Cc1cnc2ccc(-c3nn[nH]n3)cn12)[C@@H]1C[C@@H](OCC)C1(C)C ZINC000825322613 608718822 /nfs/dbraw/zinc/71/88/22/608718822.db2.gz FVWOJTYWJRHLBJ-IAGOWNOFSA-N 1 0 383.500 2.930 20 0 GFADRO CCO[C@@H]1C[C@@H]([N@H+](C)Cc2cnc3ccc(-c4nn[nH]n4)cn23)C12CCCC2 ZINC000825581880 608720221 /nfs/dbraw/zinc/72/02/21/608720221.db2.gz FOEUXDKUKOEURK-IAGOWNOFSA-N 1 0 381.484 2.684 20 0 GFADRO C[C@@H]([NH2+]C1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1)c1ccccc1N(C)C ZINC000824553874 608755846 /nfs/dbraw/zinc/75/58/46/608755846.db2.gz JOZHBEBRYKUDSP-OAHLLOKOSA-N 1 0 392.511 2.647 20 0 GFADRO O=C(Cc1cccc(-c2nn[nH]n2)c1)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000826423545 608765154 /nfs/dbraw/zinc/76/51/54/608765154.db2.gz UOKYXHHHAYCNBS-UHFFFAOYSA-N 1 0 376.464 2.686 20 0 GFADRO CC[C@@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CC[N@@H+]1Cc1ccc(-c2nn[nH]n2)o1 ZINC000825060813 608839677 /nfs/dbraw/zinc/83/96/77/608839677.db2.gz TUAXQYXLTVJACZ-BEFAXECRSA-N 1 0 395.511 2.896 20 0 GFADRO CCC1(CC)[C@H]([NH2+][C@H](C)C(=O)Nc2ccccc2-c2nn[nH]n2)[C@@H](C)[C@H]1OC ZINC000825165085 608885468 /nfs/dbraw/zinc/88/54/68/608885468.db2.gz RTORLDVJOQLPJF-BQGCOEIASA-N 1 0 386.500 2.623 20 0 GFADRO C[C@@H]([NH2+]C1CCN(Cc2ccncc2)CC1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824553290 609133110 /nfs/dbraw/zinc/13/31/10/609133110.db2.gz BBRIUTJUXAPZET-CQSZACIVSA-N 1 0 381.459 2.716 20 0 GFADRO C[C@H](C(=O)Nc1ccccc1-c1nn[nH]n1)[N@@H+]1CC[C@@H](COc2ccccc2)C1 ZINC000824046472 609147286 /nfs/dbraw/zinc/14/72/86/609147286.db2.gz SJDVZNYPKAYXJM-HZPDHXFCSA-N 1 0 392.463 2.595 20 0 GFADRO C[C@H]1CC[C@H](C(F)(F)F)C[N@@H+]1CCC(=O)Nc1sccc1-c1nn[nH]n1 ZINC000824906721 609148843 /nfs/dbraw/zinc/14/88/43/609148843.db2.gz DGXSGYXICFMWPZ-UWVGGRQHSA-N 1 0 388.419 2.920 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCN(c2ncccc2Cl)C1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824555848 609149523 /nfs/dbraw/zinc/14/95/23/609149523.db2.gz YIDOLIKKAOKVDS-WCQYABFASA-N 1 0 387.850 2.984 20 0 GFADRO C[C@@H]([NH2+][C@H](C)c1ccc(-c2nn[nH]n2)c(F)c1)c1ccc(-n2ccnn2)cc1 ZINC000824532858 609154361 /nfs/dbraw/zinc/15/43/61/609154361.db2.gz XHKQYZVZSMJXME-CHWSQXEVSA-N 1 0 378.415 2.998 20 0 GFADRO C[C@@H]([NH2+][C@@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O)c1ccnc(Cl)c1 ZINC000824546065 609169083 /nfs/dbraw/zinc/16/90/83/609169083.db2.gz GQJOMWHXAXXMEL-MLGOLLRUSA-N 1 0 397.870 2.761 20 0 GFADRO CC[C@H](Cc1ccccc1)[NH2+][C@@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000825127584 609169351 /nfs/dbraw/zinc/16/93/51/609169351.db2.gz NUCNKGSMVAAEIH-UYAOXDASSA-N 1 0 390.491 2.973 20 0 GFADRO C[N@H+](CCCNC(=O)c1ccc(Cl)c(-c2nn[nH]n2)c1)Cc1ccccc1 ZINC000825918253 609286880 /nfs/dbraw/zinc/28/68/80/609286880.db2.gz CJKHRBTYCKVPAC-UHFFFAOYSA-N 1 0 384.871 2.772 20 0 GFADRO C[C@H](NC(=O)N(C)Cc1cccc(-c2nn[nH]n2)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000824492056 609317423 /nfs/dbraw/zinc/31/74/23/609317423.db2.gz XETPNJRXMKLBDS-YJBOKZPZSA-N 1 0 397.527 2.661 20 0 GFADRO CCc1cc(N2CCC[C@@H]([NH2+][C@@H](C)c3ccc(-c4nn[nH]n4)cc3F)C2)ncn1 ZINC000825700808 609341579 /nfs/dbraw/zinc/34/15/79/609341579.db2.gz UDYLRSKYZIYYCZ-XJKSGUPXSA-N 1 0 396.474 2.678 20 0 GFADRO C[C@@H]([NH2+]C[C@@H](C)CNC(=O)OC(C)(C)C)c1ccc(-c2nn[nH]n2)cc1F ZINC000824420375 609343358 /nfs/dbraw/zinc/34/33/58/609343358.db2.gz IRLKIISIKYONPP-VXGBXAGGSA-N 1 0 378.452 2.817 20 0 GFADRO Cc1ccsc1CC[NH2+]Cc1cn(C)nc1-c1ccc(-c2nn[nH]n2)cc1 ZINC000826316154 609344939 /nfs/dbraw/zinc/34/49/39/609344939.db2.gz FBNJZNMHXAXVCG-UHFFFAOYSA-N 1 0 379.493 2.969 20 0 GFADRO C[C@@H]([NH2+]C[C@@H](NC(=O)OC(C)(C)C)C1CC1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824570258 609345190 /nfs/dbraw/zinc/34/51/90/609345190.db2.gz MORLDWFETDZTRE-BDJLRTHQSA-N 1 0 390.463 2.960 20 0 GFADRO Brc1cc(-c2nn[nH]n2)ccc1C[NH+]1CCC(c2cn[nH]c2)CC1 ZINC000823821746 609357980 /nfs/dbraw/zinc/35/79/80/609357980.db2.gz ZFZORDSLDYSFGR-UHFFFAOYSA-N 1 0 388.273 2.732 20 0 GFADRO CN(CC[C@@H]1CCCC[N@@H+]1C)Cc1ccc(-c2nn[nH]n2)cc1Br ZINC000825918229 609361938 /nfs/dbraw/zinc/36/19/38/609361938.db2.gz BLQNMKHJOKUFLI-HNNXBMFYSA-N 1 0 393.333 2.935 20 0 GFADRO Brc1cc(-c2nn[nH]n2)ccc1C[N@@H+]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000823821484 609365347 /nfs/dbraw/zinc/36/53/47/609365347.db2.gz URZSBJLZOZVZRR-UKRRQHHQSA-N 1 0 392.301 2.878 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O)c1ccc(F)c(F)c1 ZINC000824548406 609412784 /nfs/dbraw/zinc/41/27/84/609412784.db2.gz XDILGIQOCLBFRU-KPZWWZAWSA-N 1 0 398.417 2.991 20 0 GFADRO Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCCN(c3ccc(-c4nn[nH]n4)cc3)C1=O)CC2 ZINC000826294427 609414829 /nfs/dbraw/zinc/41/48/29/609414829.db2.gz QXWRIFWGMWAGKS-WOJBJXKFSA-N 1 0 388.475 2.948 20 0 GFADRO OC[C@H]([NH2+]Cc1ccc(F)cc1-c1nn[nH]n1)c1cccc(Br)c1 ZINC000826508696 609428118 /nfs/dbraw/zinc/42/81/18/609428118.db2.gz ZJBWQYNCNVCAOZ-HNNXBMFYSA-N 1 0 392.232 2.592 20 0 GFADRO C[NH+]1CCC(C)(CNC(=S)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)CC1 ZINC000826022628 609508697 /nfs/dbraw/zinc/50/86/97/609508697.db2.gz PQBYVSCYYNARAN-UHFFFAOYSA-N 1 0 379.921 2.538 20 0 GFADRO Cc1c(Cl)cnc(NCC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)c1-c1nn[nH]n1 ZINC000826239491 609526318 /nfs/dbraw/zinc/52/63/18/609526318.db2.gz JDGBMHZLRQYNFF-GHMZBOCLSA-N 1 0 379.896 2.523 20 0 GFADRO c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H](Nc4ccc(-c5nn[nH]n5)cn4)[C@H]3C2)cc1 ZINC000826521608 609595830 /nfs/dbraw/zinc/59/58/30/609595830.db2.gz SBANAEKWTRJPKA-GBESFXJTSA-N 1 0 375.480 2.974 20 0 GFADRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)Nc2nnc(SCC)s2)[C@H](C)C1 ZINC000522465109 650625086 /nfs/dbraw/zinc/62/50/86/650625086.db2.gz HGVLSVBQBAOKQB-CHWSQXEVSA-N 1 0 387.575 2.909 20 0 GFADRO C[C@@H](NC(=O)Nc1cc2ccc(Br)cn2n1)C1=CC[N@H+](C)CC1 ZINC000482237127 650663213 /nfs/dbraw/zinc/66/32/13/650663213.db2.gz IJEDEICBSKRHQZ-LLVKDONJSA-N 1 0 378.274 2.869 20 0 GFADRO COC(=O)/C=C1/SCC(=O)N1CCC[N@@H+]1CCC[C@@H](CC(F)(F)F)C1 ZINC000817281633 660188972 /nfs/dbraw/zinc/18/89/72/660188972.db2.gz NNEFWGDKXOCSPT-ACLQVGRQSA-N 1 0 380.432 2.631 20 0 GFADRO COc1nc(C)c(Br)cc1C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000486224029 650709208 /nfs/dbraw/zinc/70/92/08/650709208.db2.gz KMESNMSVHVNOIH-UHFFFAOYSA-N 1 0 388.225 2.994 20 0 GFADRO C[NH+](C)[C@@H](CNc1ncnc2cccc(I)c21)C1CC1 ZINC000543413395 650910625 /nfs/dbraw/zinc/91/06/25/650910625.db2.gz JXTXXNJKXQVJOI-ZDUSSCGKSA-N 1 0 382.249 2.987 20 0 GFADRO O=C(NC[C@@H](O)c1c(Cl)cccc1Cl)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000817948239 660212478 /nfs/dbraw/zinc/21/24/78/660212478.db2.gz GZHOVDMWWHKSQR-SWLSCSKDSA-N 1 0 383.279 2.578 20 0 GFADRO COc1cc([C@H](C)N[C@@H](C)[C@@H]2CCC[NH2+]C2)ccc1S(=O)(=O)C(F)F ZINC000817946592 660212479 /nfs/dbraw/zinc/21/24/79/660212479.db2.gz AEHFENOGIFSADK-SGMGOOAPSA-N 1 0 376.469 2.730 20 0 GFADRO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000818008558 660213433 /nfs/dbraw/zinc/21/34/33/660213433.db2.gz ICFAJMIUEJFWHF-ZYHUDNBSSA-N 1 0 393.281 2.921 20 0 GFADRO COc1ccc(Br)c(CC(=O)NCc2ccc(CC[NH3+])cc2)c1 ZINC000818534417 660228159 /nfs/dbraw/zinc/22/81/59/660228159.db2.gz DOYVHGZYAHMJKR-UHFFFAOYSA-N 1 0 377.282 2.818 20 0 GFADRO CC(C)C[C@H](C[NH3+])NC(=O)c1ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c1 ZINC000818554968 660228523 /nfs/dbraw/zinc/22/85/23/660228523.db2.gz FGDYXEYRTFDFPB-CYBMUJFWSA-N 1 0 389.949 2.520 20 0 GFADRO O=CN1CCC([NH2+]Cc2cc(Cl)cc(I)c2)CC1 ZINC000818344817 660224027 /nfs/dbraw/zinc/22/40/27/660224027.db2.gz HACHZJSPCXKNCW-UHFFFAOYSA-N 1 0 378.641 2.655 20 0 GFADRO C[C@H]1CC2(CN1S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)CC[NH2+]CC2 ZINC000818429822 660225732 /nfs/dbraw/zinc/22/57/32/660225732.db2.gz GRYXLBMVGAPFHR-QMMMGPOBSA-N 1 0 384.370 2.535 20 0 GFADRO [NH3+]CCCCCCCn1c(=O)c(Br)cn(Cc2ccccc2)c1=O ZINC000818619648 660230318 /nfs/dbraw/zinc/23/03/18/660230318.db2.gz HOUVARXBELVWHD-UHFFFAOYSA-N 1 0 394.313 2.730 20 0 GFADRO C[C@@](O)(C[NH2+]CCc1nnc2n1CCC2)c1ccc(Br)cc1Cl ZINC000818967197 660239031 /nfs/dbraw/zinc/23/90/31/660239031.db2.gz ZDIYJUJMXCWTPA-MRXNPFEDSA-N 1 0 399.720 2.680 20 0 GFADRO COCCOc1ccc(C[NH2+]C[C@H](O)c2ccc(Br)cc2)cn1 ZINC000818962099 660238071 /nfs/dbraw/zinc/23/80/71/660238071.db2.gz YJOQISXJBOSYCN-INIZCTEOSA-N 1 0 381.270 2.693 20 0 GFADRO O=C1C[C@@H]([NH2+]C[C@H](O)c2ccccc2Br)CN1c1ccccc1 ZINC000818979573 660241033 /nfs/dbraw/zinc/24/10/33/660241033.db2.gz QGJXEFDPPGTCTI-DYVFJYSZSA-N 1 0 375.266 2.878 20 0 GFADRO C[C@@](O)(C[NH2+]CCOC[C@@H]1CCCO1)c1ccc(Br)cc1F ZINC000819073515 660245490 /nfs/dbraw/zinc/24/54/90/660245490.db2.gz NGQZSBJBCLNHRS-XJKSGUPXSA-N 1 0 376.266 2.581 20 0 GFADRO Cc1ccc([C@@H](O)C[NH2+]CCNC(=O)c2cccc(Br)c2)cc1 ZINC000818990420 660242180 /nfs/dbraw/zinc/24/21/80/660242180.db2.gz XHLSSVWODMRLMS-KRWDZBQOSA-N 1 0 377.282 2.811 20 0 GFADRO CC(=O)NC1CCC([NH2+]C[C@@](C)(O)c2ccc(Br)cc2F)CC1 ZINC000818997551 660242691 /nfs/dbraw/zinc/24/26/91/660242691.db2.gz FAVAHMOBEQTURP-MQBCKMQZSA-N 1 0 387.293 2.833 20 0 GFADRO CCS(=O)(=O)CC[NH2+]C[C@H](O)COc1cc(C)c(Cl)cc1C(C)C ZINC000819012645 660243234 /nfs/dbraw/zinc/24/32/34/660243234.db2.gz HIMXNUIZNHXFMX-AWEZNQCLSA-N 1 0 377.934 2.536 20 0 GFADRO CC(C)(C)[S@](=O)CC[NH2+]CCC(=O)Nc1ccc(Br)cc1 ZINC000819055155 660244776 /nfs/dbraw/zinc/24/47/76/660244776.db2.gz CTPPMROTSZFXAK-OAQYLSRUSA-N 1 0 375.332 2.915 20 0 GFADRO CS(=O)(=O)[C@@H]1CCC[C@@H]([NH2+]C[C@H](O)c2ccc(F)c(Br)c2)C1 ZINC000819093984 660246228 /nfs/dbraw/zinc/24/62/28/660246228.db2.gz DPTKRWZNIITQDK-JMSVASOKSA-N 1 0 394.306 2.567 20 0 GFADRO CC(C)OCCN1CCC([NH2+]C[C@@H](O)c2cccc(Br)c2)CC1 ZINC000819129026 660247457 /nfs/dbraw/zinc/24/74/57/660247457.db2.gz XJANWJPNNFRLGC-GOSISDBHSA-N 1 0 385.346 2.962 20 0 GFADRO C[C@](O)(C[NH2+]CCCO[C@@H]1CCOC1)c1ccc(Br)cc1F ZINC000819150896 660248172 /nfs/dbraw/zinc/24/81/72/660248172.db2.gz SZOQCTWMAYCWDU-CJNGLKHVSA-N 1 0 376.266 2.581 20 0 GFADRO CCc1n[nH]c(=O)c(C[NH2+]C[C@H](O)c2cccc(Br)c2)c1CC ZINC000819162243 660248347 /nfs/dbraw/zinc/24/83/47/660248347.db2.gz GHOKLJVXONAQTH-INIZCTEOSA-N 1 0 380.286 2.893 20 0 GFADRO O=C(C1CCCC1)N1CC[C@@H]([NH2+]C[C@@H](O)c2ccc(Br)cc2)C1 ZINC000819163247 660248400 /nfs/dbraw/zinc/24/84/00/660248400.db2.gz IBDFNRUJIQOXEH-IAGOWNOFSA-N 1 0 381.314 2.863 20 0 GFADRO O=C(C1CCCC1)N1CC[C@H]([NH2+]C[C@H](O)c2ccccc2Br)C1 ZINC000819164108 660248640 /nfs/dbraw/zinc/24/86/40/660248640.db2.gz OWJUTLQVJYYACT-YOEHRIQHSA-N 1 0 381.314 2.863 20 0 GFADRO Cc1cc(S(=O)(=O)NCC[NH2+]C[C@H](O)c2cccc(Cl)c2)c(C)s1 ZINC000819179509 660248985 /nfs/dbraw/zinc/24/89/85/660248985.db2.gz COIMZZCEMNOQBI-HNNXBMFYSA-N 1 0 388.942 2.620 20 0 GFADRO CS(=O)(=O)c1ccc([C@@H](O)C[NH2+]CCOCc2ccc(Cl)cc2)cc1 ZINC000819191310 660249579 /nfs/dbraw/zinc/24/95/79/660249579.db2.gz WYPITICPEGBFJY-SFHVURJKSA-N 1 0 383.897 2.583 20 0 GFADRO CN(C)S(=O)(=O)c1cccc(C[NH2+]C[C@@H](O)c2ccc(Cl)c(F)c2)c1 ZINC000819219194 660250620 /nfs/dbraw/zinc/25/06/20/660250620.db2.gz OGDWLGKNLNKMGN-QGZVFWFLSA-N 1 0 386.876 2.553 20 0 GFADRO Cc1cc(N2CCC[C@@H]([NH2+]C[C@H](O)c3cccc(Br)c3)C2)n(C)n1 ZINC000819266078 660252723 /nfs/dbraw/zinc/25/27/23/660252723.db2.gz LPCFFHFXJLRMGU-SJORKVTESA-N 1 0 393.329 2.783 20 0 GFADRO COc1ccc(OC)c([C@@H](O)C[NH2+]CCCCn2cc(Br)cn2)c1 ZINC000819274563 660253326 /nfs/dbraw/zinc/25/33/26/660253326.db2.gz LCUWXAJMCCNPGO-INIZCTEOSA-N 1 0 398.301 2.766 20 0 GFADRO C[S@](=O)C1(C[NH2+]C[C@](C)(O)c2ccc(Br)cc2Cl)CC1 ZINC000819286789 660253781 /nfs/dbraw/zinc/25/37/81/660253781.db2.gz JSBDESSYFZOYGM-RBZFPXEDSA-N 1 0 380.735 2.811 20 0 GFADRO CCO[C@@H]1C[C@H]([NH2+]C[C@H](O)c2ccccc2Br)[C@H]1n1cccn1 ZINC000819334423 660255292 /nfs/dbraw/zinc/25/52/92/660255292.db2.gz XYAVNHIXJBZZAF-MWDXBVQZSA-N 1 0 380.286 2.687 20 0 GFADRO CCO[C@@H]1C[C@H]([NH2+]C[C@@H](O)c2ccccc2Br)[C@@H]1n1cccn1 ZINC000819334421 660255309 /nfs/dbraw/zinc/25/53/09/660255309.db2.gz XYAVNHIXJBZZAF-HZMVEIRTSA-N 1 0 380.286 2.687 20 0 GFADRO COC[C@](C)(O)CC[NH2+]C[C@](C)(O)c1ccc(Br)cc1Cl ZINC000819339740 660255743 /nfs/dbraw/zinc/25/57/43/660255743.db2.gz OWJCLWJDJUUMHH-CABCVRRESA-N 1 0 380.710 2.687 20 0 GFADRO CCOC(=O)N1CC[C@@H]([NH2+]C[C@@](C)(O)c2ccc(Br)cc2F)C1 ZINC000819239330 660251433 /nfs/dbraw/zinc/25/14/33/660251433.db2.gz RRMMVKYOVKGQCO-MLGOLLRUSA-N 1 0 389.265 2.616 20 0 GFADRO CCOC(=O)N1CC[C@H]([NH2+]CCC(=O)Nc2cccc(Br)c2)C1 ZINC000819238166 660251440 /nfs/dbraw/zinc/25/14/40/660251440.db2.gz BPRMPAMENWIYKB-AWEZNQCLSA-N 1 0 384.274 2.598 20 0 GFADRO CCOC(=O)N1CC[C@@H]([NH2+]C[C@H](O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000819239889 660251470 /nfs/dbraw/zinc/25/14/70/660251470.db2.gz WUJUXYNRNMZOKE-NEPJUHHUSA-N 1 0 377.268 2.554 20 0 GFADRO O[C@H](C[NH2+]Cc1cccc(N2CCOCC2)n1)c1cccc(Br)c1 ZINC000819243359 660251571 /nfs/dbraw/zinc/25/15/71/660251571.db2.gz VIJYFLWBTUBSBI-QGZVFWFLSA-N 1 0 392.297 2.504 20 0 GFADRO Cc1cc(N2CCC([NH2+]C[C@H](O)c3cccc(Br)c3)CC2)n[nH]1 ZINC000819253675 660252142 /nfs/dbraw/zinc/25/21/42/660252142.db2.gz IOTFVSALKSMEEG-INIZCTEOSA-N 1 0 379.302 2.773 20 0 GFADRO C[C@@H]1CN(C(=O)c2cnn3cccc(Br)c23)CC[N@@H+](C2CC2)C1 ZINC000820874967 660309058 /nfs/dbraw/zinc/30/90/58/660309058.db2.gz VHYGMZASNUIYDE-LBPRGKRZSA-N 1 0 377.286 2.653 20 0 GFADRO C[N@@H+]1CC[C@@H](NC(=O)c2cc(N)nc(Br)c2)[C@@H]1c1ccccc1 ZINC000821365656 660323219 /nfs/dbraw/zinc/32/32/19/660323219.db2.gz NHXYZKUOYHPNKK-CJNGLKHVSA-N 1 0 375.270 2.602 20 0 GFADRO C[NH+]1CCC(OCC(=O)N[C@@H]2CCc3c2ccc(F)c3Br)CC1 ZINC000821736586 660332296 /nfs/dbraw/zinc/33/22/96/660332296.db2.gz HIWDGXOOAMJKQP-OAHLLOKOSA-N 1 0 385.277 2.803 20 0 GFADRO C[C@@](O)(C(=O)NC1CC[NH+](C2CCC2)CC1)c1ccc(F)c(Br)c1 ZINC000821891377 660336497 /nfs/dbraw/zinc/33/64/97/660336497.db2.gz BVYFUEFGEDBQDE-SFHVURJKSA-N 1 0 399.304 2.929 20 0 GFADRO CC[N@@H+]1CCCN(C(=O)C[C@H]2C(=O)Nc3ccc(Br)cc32)[C@@H](C)C1 ZINC000822569693 660348116 /nfs/dbraw/zinc/34/81/16/660348116.db2.gz WNDYDMLFGPNNES-SWLSCSKDSA-N 1 0 394.313 2.818 20 0 GFADRO CC[N@@H+]1CCCN(C(=O)c2cc3cc(Br)cnc3n2C)[C@H](C)C1 ZINC000822569158 660348145 /nfs/dbraw/zinc/34/81/45/660348145.db2.gz PODVJWLAYQESLL-GFCCVEGCSA-N 1 0 379.302 2.892 20 0 GFADRO COc1cc(/C=C\C(=O)NC[C@@H](C2CC2)[NH+](C)C)cc(Br)c1O ZINC000822629417 660350346 /nfs/dbraw/zinc/35/03/46/660350346.db2.gz MUZOAPRPRSYTCX-ZBKLQPJUSA-N 1 0 383.286 2.633 20 0 GFADRO C[C@@H]([NH3+])CCc1nc(Cc2cccc(F)c2I)no1 ZINC000822980752 660359339 /nfs/dbraw/zinc/35/93/39/660359339.db2.gz MUWAFFKSZWCIFM-MRVPVSSYSA-N 1 0 375.185 2.684 20 0 GFADRO CC[NH+](CC)CCC[C@H](C)NC(=O)c1csc(I)n1 ZINC000823018174 660359930 /nfs/dbraw/zinc/35/99/30/660359930.db2.gz VBWAMAPWQWJLDO-JTQLQIEISA-N 1 0 395.310 2.988 20 0 GFADRO CC[C@H]1[NH2+]CC[C@@H]1c1nc(CC(=O)Nc2ccccc2Br)no1 ZINC000823075327 660361159 /nfs/dbraw/zinc/36/11/59/660361159.db2.gz PSXSXRAXNGEEIQ-CMPLNLGQSA-N 1 0 379.258 2.869 20 0 GFADRO C[N@H+](C[C@H](O)CNC(=O)OC(C)(C)C)C[C@H](O)c1ccc(Cl)cc1Cl ZINC000823205827 660365108 /nfs/dbraw/zinc/36/51/08/660365108.db2.gz ZKSLXHWLKIHNNH-DOMZBBRYSA-N 1 0 393.311 2.844 20 0 GFADRO CC(C)(Cc1cccc(Br)c1)c1noc(C[C@@H]2COCC[NH2+]2)n1 ZINC000823263608 660366572 /nfs/dbraw/zinc/36/65/72/660366572.db2.gz KRENVZUTGQASOV-CQSZACIVSA-N 1 0 380.286 2.883 20 0 GFADRO CCCN(C(=O)c1cc2cc(Br)cnc2n1C)[C@@H]1CC[N@H+](C)C1 ZINC000823500098 660373883 /nfs/dbraw/zinc/37/38/83/660373883.db2.gz UQRHGTNVKLFLPW-CQSZACIVSA-N 1 0 379.302 2.892 20 0 GFADRO Cc1c(Br)nccc1NC(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000823571219 660375201 /nfs/dbraw/zinc/37/52/01/660375201.db2.gz BDOXHOGESGRFCY-CYBMUJFWSA-N 1 0 385.306 2.727 20 0 GFADRO C[NH+]1CCC2(CC1)CN(C(=O)c1cc(F)cc(Br)c1F)CCO2 ZINC000823672740 660377794 /nfs/dbraw/zinc/37/77/94/660377794.db2.gz DXEBBGDEWVUSFN-UHFFFAOYSA-N 1 0 389.240 2.664 20 0 GFADRO Brc1cccc2c(C[NH2+]C[C@H]3CN4CCC[C@@H]4CO3)ccnc12 ZINC000823825558 660380939 /nfs/dbraw/zinc/38/09/39/660380939.db2.gz SVCDOZKQQMUJJY-CABCVRRESA-N 1 0 376.298 2.950 20 0 GFADRO COC(=O)c1nn(-c2ccc(Cl)c(Cl)c2)cc1C[NH2+][C@@H](CO)C1CC1 ZINC000823881871 660382427 /nfs/dbraw/zinc/38/24/27/660382427.db2.gz DUIZJGCTKDUWSJ-HNNXBMFYSA-N 1 0 384.263 2.826 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]C[C@H]1CCC=CO1 ZINC000824231134 660387660 /nfs/dbraw/zinc/38/76/60/660387660.db2.gz HZGCFADSZCZZPF-SWLSCSKDSA-N 1 0 383.286 2.745 20 0 GFADRO Cc1cc(C(=O)NCC2CC[NH+](C3CCOCC3)CC2)oc1Br ZINC000824691944 660399449 /nfs/dbraw/zinc/39/94/49/660399449.db2.gz XBRKIABZXZNYHH-UHFFFAOYSA-N 1 0 385.302 2.971 20 0 GFADRO Cc1ccc(Br)c(C(=O)NCC2CC[NH+](C3CCOCC3)CC2)n1 ZINC000824692053 660399455 /nfs/dbraw/zinc/39/94/55/660399455.db2.gz ZYFRKIKXDGNMBY-UHFFFAOYSA-N 1 0 396.329 2.773 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)C[C@H]1C(=O)Nc2ccc(Br)cc21 ZINC000824658685 660399004 /nfs/dbraw/zinc/39/90/04/660399004.db2.gz NWSPNPAKNLOAGG-TZMCWYRMSA-N 1 0 394.313 2.864 20 0 GFADRO CS(=O)(=O)c1ccc(C[NH2+]C[C@H](O)c2ccccc2Br)cc1 ZINC000825338981 660421550 /nfs/dbraw/zinc/42/15/50/660421550.db2.gz XOZRNMSHENXLGA-INIZCTEOSA-N 1 0 384.295 2.676 20 0 GFADRO C[C@@H](CS(=O)(=O)c1ccccc1)[NH2+]C[C@@H](O)c1ccccc1Br ZINC000825342810 660421975 /nfs/dbraw/zinc/42/19/75/660421975.db2.gz HBXLSLPKGCSTPX-SUMWQHHRSA-N 1 0 398.322 2.935 20 0 GFADRO C[C@H]1CCC[C@](CNC(=O)c2c(Br)nc3n2CCC3)([NH+](C)C)C1 ZINC000825384771 660424397 /nfs/dbraw/zinc/42/43/97/660424397.db2.gz VFLNVAZXXWOHEE-SJCJKPOMSA-N 1 0 383.334 2.832 20 0 GFADRO CC[N@H+](C)Cc1cccc(CNC(=O)c2c(Br)nc3n2CCC3)c1 ZINC000825389167 660424814 /nfs/dbraw/zinc/42/48/14/660424814.db2.gz JZSWRMNTCFEPIM-UHFFFAOYSA-N 1 0 391.313 2.974 20 0 GFADRO Cn1nc(C(=O)NC[C@@H]2CCC[N@@H+]2CC2CCCCC2)cc1Br ZINC000825781809 660442395 /nfs/dbraw/zinc/44/23/95/660442395.db2.gz JHTNDIYZEXBSPC-AWEZNQCLSA-N 1 0 383.334 2.957 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)c2cc(Br)n(C)n2)C1 ZINC000825831298 660443331 /nfs/dbraw/zinc/44/33/31/660443331.db2.gz VKHFWGXUKJBUQU-ZIAGYGMSSA-N 1 0 383.334 2.909 20 0 GFADRO Cn1nc(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)cc1Br ZINC000825849169 660443646 /nfs/dbraw/zinc/44/36/46/660443646.db2.gz GGFLIRJWPNBNAN-AWEZNQCLSA-N 1 0 377.286 2.577 20 0 GFADRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)c1cc(Cl)nc(C(F)(F)F)c1 ZINC000826545084 660456560 /nfs/dbraw/zinc/45/65/60/660456560.db2.gz WQVSTKNXFDBCFV-LBPRGKRZSA-N 1 0 379.810 2.937 20 0 GFADRO Cc1c(Br)ccc(F)c1C(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000826564975 660457169 /nfs/dbraw/zinc/45/71/69/660457169.db2.gz SORSTEJWMLCVME-CYBMUJFWSA-N 1 0 385.277 2.568 20 0 GFADRO CC(C)OC[C@H](O)C[N@@H+]1CC[C@@]2(C)[C@@H](C1)C2(Br)Br ZINC000852335668 661861026 /nfs/dbraw/zinc/86/10/26/661861026.db2.gz JYEGNKMPEODDNB-UTUOFQBUSA-N 1 0 385.140 2.600 20 0 GFADRO C[N@H+](CCNC(=O)c1c(Br)nc2n1CCC2)Cc1ccc(F)cc1 ZINC000826656998 660460408 /nfs/dbraw/zinc/46/04/08/660460408.db2.gz BGVLWOKRPGIJKO-UHFFFAOYSA-N 1 0 395.276 2.593 20 0 GFADRO C[C@@]1(C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)CC1(Br)Br ZINC000826809977 660465417 /nfs/dbraw/zinc/46/54/17/660465417.db2.gz NSZQVPNQEFFJHL-AAEUAGOBSA-N 1 0 394.151 2.969 20 0 GFADRO Cn1nc(C(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)cc1Br ZINC000826890518 660470352 /nfs/dbraw/zinc/47/03/52/660470352.db2.gz RKGWAMOODRIYJQ-UHFFFAOYSA-N 1 0 391.313 2.919 20 0 GFADRO COc1ccc(CCC(=O)N2CC[C@H]3[C@H](CC[N@@H+]3C)C2)cc1Br ZINC000827344174 660490381 /nfs/dbraw/zinc/49/03/81/660490381.db2.gz CQOLBDFMZDBAEB-ZBFHGGJFSA-N 1 0 381.314 2.943 20 0 GFADRO COc1cc(Br)ccc1CCC(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000827286426 660487963 /nfs/dbraw/zinc/48/79/63/660487963.db2.gz GVACORQUPYWDOZ-GOEBONIOSA-N 1 0 381.314 2.943 20 0 GFADRO C[C@@H](C(=O)N1CCC([NH+]2CCN(C)CC2)CC1)c1cccc(Br)c1 ZINC000827435777 660495111 /nfs/dbraw/zinc/49/51/11/660495111.db2.gz WHMRZRZEJNLHIB-OAHLLOKOSA-N 1 0 394.357 2.791 20 0 GFADRO C[NH+]1C[C@@]2(C)CN(C(=O)c3cc(Br)c4nccnc4c3)C[C@]2(C)C1 ZINC000827598812 660504013 /nfs/dbraw/zinc/50/40/13/660504013.db2.gz USUWMMWGGBUIQN-ROUUACIJSA-N 1 0 389.297 2.806 20 0 GFADRO Cc1[nH]nc(Br)c1C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000827842389 660518962 /nfs/dbraw/zinc/51/89/62/660518962.db2.gz QMEGDBYIBIUCBU-IUODEOHRSA-N 1 0 391.313 2.979 20 0 GFADRO C[C@@H]([NH3+])CN(C)S(=O)(=O)c1cc(Br)c(Cl)cc1Cl ZINC000858640506 662117544 /nfs/dbraw/zinc/11/75/44/662117544.db2.gz OIEDPXNAUMEXSL-ZCFIWIBFSA-N 1 0 376.103 2.724 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc4ccc(Br)cc4c(=O)o3)CC[C@H]21 ZINC000828511076 660553195 /nfs/dbraw/zinc/55/31/95/660553195.db2.gz KVGVSAILHZCPQQ-IUODEOHRSA-N 1 0 391.265 2.722 20 0 GFADRO CC(C)CN(CC1CC[NH+](C)CC1)C(=O)c1ccc(Br)[nH]c1=O ZINC000828607738 660559310 /nfs/dbraw/zinc/55/93/10/660559310.db2.gz DGVWPUAUYPCDEW-UHFFFAOYSA-N 1 0 384.318 2.990 20 0 GFADRO CN(CC[NH+]1CC2(C1)CCOCC2)C(=O)Cc1ccc(F)c(Br)c1 ZINC000829279804 660587441 /nfs/dbraw/zinc/58/74/41/660587441.db2.gz BBWYRVGTPFJNQU-UHFFFAOYSA-N 1 0 399.304 2.702 20 0 GFADRO C[N@@H+]1C[C@H](C(=O)NCc2ncc(Br)s2)[C@@H](c2ccccc2)C1 ZINC000829528392 660595673 /nfs/dbraw/zinc/59/56/73/660595673.db2.gz IGQZKWZLYFNEGP-OLZOCXBDSA-N 1 0 380.311 2.867 20 0 GFADRO O=C(NCc1ncc(Br)s1)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000829545245 660599285 /nfs/dbraw/zinc/59/92/85/660599285.db2.gz MCRUYMRNFUNMDL-ZDUSSCGKSA-N 1 0 395.326 2.829 20 0 GFADRO COCC[N@H+]1[C@H](C)CN(Cc2cn3cc(Br)ccc3n2)C[C@@H]1C ZINC000830048782 660632043 /nfs/dbraw/zinc/63/20/43/660632043.db2.gz HANHXMZGJMKBLD-OKILXGFUSA-N 1 0 381.318 2.638 20 0 GFADRO O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)c1cc(Cl)nc(C(F)(F)F)c1 ZINC000830155519 660638986 /nfs/dbraw/zinc/63/89/86/660638986.db2.gz LQEKEKDHSNZYDG-LBPRGKRZSA-N 1 0 377.794 2.737 20 0 GFADRO CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1([NH3+])C(=O)NC[C@@H](O)c1c(Cl)cccc1Cl ZINC000830284619 660646788 /nfs/dbraw/zinc/64/67/88/660646788.db2.gz JWNSASWDLGWRNW-TWMQIHISSA-N 1 0 387.307 2.676 20 0 GFADRO O=C([C@H]1CCCC[N@@H+]1C1CCCC1)N1CCn2c(Br)cnc2C1 ZINC000830467513 660658592 /nfs/dbraw/zinc/65/85/92/660658592.db2.gz OKOFAYYTWMROLV-CQSZACIVSA-N 1 0 381.318 2.785 20 0 GFADRO CN(C)C(=O)O[C@H]1CC[N@H+](CCC(=O)Nc2cccc(Br)c2)C1 ZINC000830509168 660659989 /nfs/dbraw/zinc/65/99/89/660659989.db2.gz CZXWDQASDJOUEZ-AWEZNQCLSA-N 1 0 384.274 2.550 20 0 GFADRO Cc1c(Br)cccc1CCNC(=O)CCN1CC[NH+](C(C)C)CC1 ZINC000830556224 660663604 /nfs/dbraw/zinc/66/36/04/660663604.db2.gz CISOTRVLSDYNMH-UHFFFAOYSA-N 1 0 396.373 2.832 20 0 GFADRO COC[C@H]([NH2+]Cc1cccc(I)c1)[C@H]1CCCOC1 ZINC000886357182 663108758 /nfs/dbraw/zinc/10/87/58/663108758.db2.gz CFQJESVYWLXSJV-ZFWWWQNUSA-N 1 0 375.250 2.822 20 0 GFADRO O=C(Nn1cc(Br)cn1)[C@@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000830907441 660685724 /nfs/dbraw/zinc/68/57/24/660685724.db2.gz RRFVDTHTHDBJIT-OAHLLOKOSA-N 1 0 377.286 2.670 20 0 GFADRO [NH3+]CCCCCCNC(=O)N[C@H]1CCN(c2ccccc2Br)C1 ZINC000831127091 660697748 /nfs/dbraw/zinc/69/77/48/660697748.db2.gz BBLQYUSZCSLQNS-AWEZNQCLSA-N 1 0 383.334 2.846 20 0 GFADRO CN(C)c1cc[nH+]c(NC(=O)[C@]2(C)CC2(Br)Br)c1 ZINC000832032718 660748103 /nfs/dbraw/zinc/74/81/03/660748103.db2.gz IWFUZYCIEWAGKK-NSHDSACASA-N 1 0 377.080 2.982 20 0 GFADRO CS[C@H]1CN(C(=O)c2sc(Br)nc2C)C[C@@H]1[NH+]1CCCC1 ZINC000832131478 660756587 /nfs/dbraw/zinc/75/65/87/660756587.db2.gz MGTJYGGSLMLYIG-QWRGUYRKSA-N 1 0 390.372 2.866 20 0 GFADRO COC(=O)[C@@H]1CN(C(=O)CCCCC[NH3+])C[C@H]1c1ccc(Br)cc1 ZINC000832192620 660762332 /nfs/dbraw/zinc/76/23/32/660762332.db2.gz VEZMNGGHCPJIJW-JKSUJKDBSA-N 1 0 397.313 2.683 20 0 GFADRO CCC[C@H](C)NS(=O)(=O)c1cc(C(=O)NCCC[NH3+])c(Cl)cc1Cl ZINC000832235898 660766223 /nfs/dbraw/zinc/76/62/23/660766223.db2.gz KNIIDVBAXGSHBZ-JTQLQIEISA-N 1 0 396.340 2.539 20 0 GFADRO CC[C@@H]1C[C@@H]([NH2+][C@@H](CO)c2ccccc2I)CCO1 ZINC000898511215 663653239 /nfs/dbraw/zinc/65/32/39/663653239.db2.gz AUNNJWUAXNVGFX-ZOWXZIJZSA-N 1 0 375.250 2.872 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CN(C(=O)c2ccc(-c3ccccc3Br)n2C)CCO1 ZINC000834317455 660814311 /nfs/dbraw/zinc/81/43/11/660814311.db2.gz VGGZHHMFOPLVHN-SJKOYZFVSA-N 1 0 392.297 2.643 20 0 GFADRO C[C@H](CN1CCCC1=O)[NH2+]C[C@@](C)(O)c1ccc(Br)cc1Cl ZINC000834362627 660816299 /nfs/dbraw/zinc/81/62/99/660816299.db2.gz GIFMOQCWDWLAEU-BDJLRTHQSA-N 1 0 389.721 2.911 20 0 GFADRO C[C@](O)(C[NH2+]CCC(=O)N1CCCCC1)c1ccc(Br)cc1F ZINC000834362493 660816316 /nfs/dbraw/zinc/81/63/16/660816316.db2.gz CCEWNJWRLRZGFK-KRWDZBQOSA-N 1 0 387.293 2.788 20 0 GFADRO C[C@H](NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1nc(Br)cs1 ZINC000834509095 660822941 /nfs/dbraw/zinc/82/29/41/660822941.db2.gz WGNGHPCYUVGESK-SWLSCSKDSA-N 1 0 396.354 2.975 20 0 GFADRO C[C@@H](CCCC[NH3+])NC(=O)Cc1csc(NC(=O)Cc2cccs2)n1 ZINC000834791302 660833107 /nfs/dbraw/zinc/83/31/07/660833107.db2.gz GTUWHIQSWQIDNP-LBPRGKRZSA-N 1 0 380.539 2.562 20 0 GFADRO CC1([NH+]2CCC2)CCC(NC(=O)CS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000834804431 660833496 /nfs/dbraw/zinc/83/34/96/660833496.db2.gz RRJOCCPVHSPNHO-UHFFFAOYSA-N 1 0 384.929 2.637 20 0 GFADRO CC[C@@H]([NH2+]CCS(=O)(=O)C1CCOCC1)c1ccccc1OC(F)F ZINC000834887829 660837123 /nfs/dbraw/zinc/83/71/23/660837123.db2.gz WVHOGMMFNBKRER-OAHLLOKOSA-N 1 0 377.453 2.923 20 0 GFADRO O=S(=O)(CC[NH2+][C@@H]1CCc2sc(Br)cc21)C1CCOCC1 ZINC000834891214 660837318 /nfs/dbraw/zinc/83/73/18/660837318.db2.gz RHEQQAKKFJHUBL-GFCCVEGCSA-N 1 0 394.356 2.681 20 0 GFADRO C[C@@H]([NH2+]C1CCN(S(=O)(=O)C2CC2)CC1)c1nc(Br)cs1 ZINC000834676168 660829514 /nfs/dbraw/zinc/82/95/14/660829514.db2.gz PMQPXRNAXNSOHW-SECBINFHSA-N 1 0 394.360 2.513 20 0 GFADRO O=C(NC/C=C\c1ccc(Br)cc1)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000836282118 660898202 /nfs/dbraw/zinc/89/82/02/660898202.db2.gz KIJRAEWSNREMRW-YWOMLXPBSA-N 1 0 394.313 2.625 20 0 GFADRO C[C@@H](CNC(=O)NC[C@H](O)c1ccccc1Br)[NH+]1CCC(C)CC1 ZINC000836350487 660901062 /nfs/dbraw/zinc/90/10/62/660901062.db2.gz WVQRYLMJJOKPIX-YOEHRIQHSA-N 1 0 398.345 2.902 20 0 GFADRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)NC[C@H](O)c2ccccc2Br)C1 ZINC000836359708 660901566 /nfs/dbraw/zinc/90/15/66/660901566.db2.gz YSAPGNKUYVLGAC-PBHICJAKSA-N 1 0 398.345 2.760 20 0 GFADRO Cc1c(Br)nccc1NC(=O)NC(C)(C)CC[NH+]1CCN(C)CC1 ZINC000836679697 660927387 /nfs/dbraw/zinc/92/73/87/660927387.db2.gz JKDSBTWEFBUJGJ-UHFFFAOYSA-N 1 0 398.349 2.690 20 0 GFADRO Cc1cc(Br)nc(NC(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)c1 ZINC000836760462 660939307 /nfs/dbraw/zinc/93/93/07/660939307.db2.gz NUXJFEZCQWPQEJ-ZDUSSCGKSA-N 1 0 385.306 2.727 20 0 GFADRO O[C@H](C[NH2+]Cc1ccccc1)COc1ccc(I)cc1 ZINC000005773499 654449347 /nfs/dbraw/zinc/44/93/47/654449347.db2.gz FAXBUTCVHPCILP-OAHLLOKOSA-N 1 0 383.229 2.821 20 0 GFADRO COc1cc(Br)c([C@@H]2NC(=[NH2+])Nc3nc4ccccc4n32)cc1O ZINC000007126770 654463719 /nfs/dbraw/zinc/46/37/19/654463719.db2.gz BLWWLNBOTJEFLT-CQSZACIVSA-N 1 0 388.225 2.609 20 0 GFADRO COc1ccc(C(=O)N2CCN(c3cc[nH+]cc3)CC2)cc1Br ZINC000008122684 654479323 /nfs/dbraw/zinc/47/93/23/654479323.db2.gz LRFHOADGAJLBRW-UHFFFAOYSA-N 1 0 376.254 2.815 20 0 GFADRO CCCNc1nnc(SCC(=O)NC[C@H](c2ccccc2)[NH+](C)C)s1 ZINC000025317110 654548508 /nfs/dbraw/zinc/54/85/08/654548508.db2.gz SUNZYBKDEYHZCJ-CQSZACIVSA-N 1 0 379.555 2.871 20 0 GFADRO C[C@@H](NC(=O)NCCCC[NH+]1CCN(C)CC1)c1ccc(Br)cc1 ZINC000031151980 654592067 /nfs/dbraw/zinc/59/20/67/654592067.db2.gz XCGDMIVQCMHKRS-OAHLLOKOSA-N 1 0 397.361 2.837 20 0 GFADRO C[C@@H](CNS(=O)(=O)c1ccccc1Br)[N@@H+]1CCCC[C@H]1C ZINC000032440964 654603243 /nfs/dbraw/zinc/60/32/43/654603243.db2.gz CILHVZDSEGJQBK-OLZOCXBDSA-N 1 0 375.332 2.990 20 0 GFADRO CC[C@@H]([NH2+]C1CCN(S(C)(=O)=O)CC1)c1cccc(Br)c1 ZINC000037270392 654614642 /nfs/dbraw/zinc/61/46/42/654614642.db2.gz WNKQHRWBJMQUKT-OAHLLOKOSA-N 1 0 375.332 2.914 20 0 GFADRO O=C(c1cccc(I)c1)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037917263 654616245 /nfs/dbraw/zinc/61/62/45/654616245.db2.gz VWNRHUOZTWDOAE-ZFWWWQNUSA-N 1 0 384.261 2.895 20 0 GFADRO O=S(=O)(c1ccc(Br)s1)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037917514 654616323 /nfs/dbraw/zinc/61/63/23/654616323.db2.gz CYWIJCRWBJUUGE-MNOVXSKESA-N 1 0 379.345 2.663 20 0 GFADRO CSc1nc2ccc(NC(=O)C(=O)NC[C@H](C)[NH+]3CCCC3)cc2s1 ZINC000041597839 654627598 /nfs/dbraw/zinc/62/75/98/654627598.db2.gz FFCXGBBBIKQMFF-NSHDSACASA-N 1 0 378.523 2.557 20 0 GFADRO C[C@H]1C[NH+](CCCNC(=O)NCc2cc(Br)cs2)C[C@H](C)O1 ZINC000045455084 654668489 /nfs/dbraw/zinc/66/84/89/654668489.db2.gz SDGKLVYTJHBZKL-RYUDHWBXSA-N 1 0 390.347 2.809 20 0 GFADRO O=C(c1c(Br)nc2n1CCCC2)N1CC[NH+](C2CCCC2)CC1 ZINC000837331885 660987127 /nfs/dbraw/zinc/98/71/27/660987127.db2.gz XKCJOQSOSPQTAA-UHFFFAOYSA-N 1 0 381.318 2.682 20 0 GFADRO C[C@@H]1CCC[N@H+](CCNC(=O)c2ccc(F)cc2I)C1 ZINC000047147588 654690816 /nfs/dbraw/zinc/69/08/16/654690816.db2.gz PDQVCNKGTASUHN-LLVKDONJSA-N 1 0 390.240 2.892 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(-n2cc(Br)cn2)cc1 ZINC000047431170 654694567 /nfs/dbraw/zinc/69/45/67/654694567.db2.gz QVQNYUOIJPAJLI-INIZCTEOSA-N 1 0 377.286 2.849 20 0 GFADRO COc1cccc([C@H](CNC(=O)CSc2nncs2)[NH+]2CCCC2)c1 ZINC000048168696 654703019 /nfs/dbraw/zinc/70/30/19/654703019.db2.gz JAAVWMNRAVWFMR-HNNXBMFYSA-N 1 0 378.523 2.592 20 0 GFADRO C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000048237934 654703956 /nfs/dbraw/zinc/70/39/56/654703956.db2.gz SMNXFQRFJOYRFK-TUKIKUTGSA-N 1 0 384.307 2.855 20 0 GFADRO O=C(NC[C@@H](O)C(F)(F)F)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000048741047 654712556 /nfs/dbraw/zinc/71/25/56/654712556.db2.gz ICRKMYVEKJSYRL-CQSZACIVSA-N 1 0 379.810 2.527 20 0 GFADRO Cc1cc(NC(=O)C(=O)NC2CC[NH+](C(C)C)CC2)ccc1Br ZINC000048772994 654712942 /nfs/dbraw/zinc/71/29/42/654712942.db2.gz QVJNEYDYNDQZGO-UHFFFAOYSA-N 1 0 382.302 2.685 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000121963581 654725923 /nfs/dbraw/zinc/72/59/23/654725923.db2.gz NMBJXELDZKZXOP-CZUORRHYSA-N 1 0 394.313 2.639 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)C1CCN(C(=O)c2ccc(Cl)s2)CC1 ZINC000121968841 654726501 /nfs/dbraw/zinc/72/65/01/654726501.db2.gz UTBDJJVNTHINGB-OCCSQVGLSA-N 1 0 383.945 2.982 20 0 GFADRO O=C(Nc1ccn(-c2cc[nH+]cc2)n1)c1c(Br)nc2n1CCCC2 ZINC000837418472 660995248 /nfs/dbraw/zinc/99/52/48/660995248.db2.gz FZLYCTLZZPZWIJ-UHFFFAOYSA-N 1 0 387.241 2.815 20 0 GFADRO Cc1sc(Br)cc1S(=O)(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000122296607 654732765 /nfs/dbraw/zinc/73/27/65/654732765.db2.gz HFICWJXEPRSHCP-LBPRGKRZSA-N 1 0 393.372 2.972 20 0 GFADRO C[N@@H+]1CCC[C@H]2CN(S(=O)(=O)c3ccc(OC(F)(F)F)cc3)CC[C@@H]21 ZINC000122325209 654733900 /nfs/dbraw/zinc/73/39/00/654733900.db2.gz ZEMZBUNFBNXUDQ-WFASDCNBSA-N 1 0 378.416 2.690 20 0 GFADRO CN(Cc1c(F)cccc1Cl)S(=O)(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000122349885 654734973 /nfs/dbraw/zinc/73/49/73/654734973.db2.gz KGOHPAWAZVSHNT-GUYCJALGSA-N 1 0 389.924 2.572 20 0 GFADRO Cc1sc(Br)cc1S(=O)(=O)NC[C@@H](C)[NH+]1CCCCC1 ZINC000122412331 654735941 /nfs/dbraw/zinc/73/59/41/654735941.db2.gz VVGNDKCLKQLTEU-SNVBAGLBSA-N 1 0 381.361 2.972 20 0 GFADRO [NH3+][C@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2C(F)(F)F)C1 ZINC000122443963 654737209 /nfs/dbraw/zinc/73/72/09/654737209.db2.gz CREQUHDZOZIRIQ-VIFPVBQESA-N 1 0 387.221 2.580 20 0 GFADRO CC[NH+](CC)CCCNC(=O)C(=O)Nc1cc(F)c(Br)cc1F ZINC000122444912 654737382 /nfs/dbraw/zinc/73/73/82/654737382.db2.gz QMYNYULWZOMWBQ-UHFFFAOYSA-N 1 0 392.244 2.514 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)N1CCN(Cc2cccs2)CC1)c1cccs1 ZINC000053529838 654748564 /nfs/dbraw/zinc/74/85/64/654748564.db2.gz MMWUTKMVYDGAHC-INIZCTEOSA-N 1 0 378.567 2.940 20 0 GFADRO CC[NH+]1CCC(NC(=O)[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)CC1 ZINC000053793156 654750140 /nfs/dbraw/zinc/75/01/40/654750140.db2.gz VCTWUQJIXUMHQD-AWEZNQCLSA-N 1 0 384.307 2.947 20 0 GFADRO CCC(=O)N[C@@H](CCSC)C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000054060897 654755506 /nfs/dbraw/zinc/75/55/06/654755506.db2.gz TXDGUISZQRPGEK-GJZGRUSLSA-N 1 0 383.583 2.649 20 0 GFADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)Cc2ccc(F)c(Br)c2)C1 ZINC000054129170 654756806 /nfs/dbraw/zinc/75/68/06/654756806.db2.gz OMVUGEULMXQCGW-CQSZACIVSA-N 1 0 387.293 2.604 20 0 GFADRO Cc1ccc(NC(=O)C(=O)N[C@@H](C)C[NH+]2CCCCC2)cc1Br ZINC000123956054 654766801 /nfs/dbraw/zinc/76/68/01/654766801.db2.gz LOFXPSMFCNSBCE-ZDUSSCGKSA-N 1 0 382.302 2.687 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000123959357 654767191 /nfs/dbraw/zinc/76/71/91/654767191.db2.gz WKSMNGYWBNIIPZ-AWEZNQCLSA-N 1 0 396.329 2.995 20 0 GFADRO COc1ccc(CNC(=O)N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cc1Br ZINC000123998117 654768280 /nfs/dbraw/zinc/76/82/80/654768280.db2.gz ZYNAORUAQBBWBY-YPMHNXCESA-N 1 0 382.302 2.882 20 0 GFADRO O=C(NC1CC[NH+](C2CC2)CC1)[C@H]1CCCN1C(=O)c1ccc(Cl)s1 ZINC000055165996 654769999 /nfs/dbraw/zinc/76/99/99/654769999.db2.gz KYICVMGQMZTRDD-CQSZACIVSA-N 1 0 381.929 2.749 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(F)c(I)c1 ZINC000124500001 654776489 /nfs/dbraw/zinc/77/64/89/654776489.db2.gz OGUMAVIRGAEYBN-NSHDSACASA-N 1 0 376.213 2.644 20 0 GFADRO CN1CC[NH+](CCCCNC(=O)c2cc3c(cccc3Br)[nH]2)CC1 ZINC000124549186 654778303 /nfs/dbraw/zinc/77/83/03/654778303.db2.gz WBNHWHYMPMXELM-UHFFFAOYSA-N 1 0 393.329 2.688 20 0 GFADRO CCN(CCC[NH+]1CCCC1)C(=O)c1c(Br)nc2n1CCCC2 ZINC000837575890 661005709 /nfs/dbraw/zinc/00/57/09/661005709.db2.gz BPICUFVFMNVEPZ-UHFFFAOYSA-N 1 0 383.334 2.930 20 0 GFADRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1c(Br)nc2n1CCCC2 ZINC000837653905 661009804 /nfs/dbraw/zinc/00/98/04/661009804.db2.gz QTVUYORAZHLUQF-OLZOCXBDSA-N 1 0 381.318 2.681 20 0 GFADRO O=c1cc(C[N@H+]2CC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)[nH]c2ccnn21 ZINC000126156434 654809274 /nfs/dbraw/zinc/80/92/74/654809274.db2.gz HOIPYIWQJBGSGW-ZDUSSCGKSA-N 1 0 379.247 2.983 20 0 GFADRO CCCN(C(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000126229869 654810713 /nfs/dbraw/zinc/81/07/13/654810713.db2.gz POBPCDSWNCKZTO-GRDNDAEWSA-N 1 0 386.945 2.805 20 0 GFADRO CCC(=O)N1CC[C@H]([NH2+][C@H](C)CC(=O)Nc2ccc(Br)cc2)C1 ZINC000126663130 654818265 /nfs/dbraw/zinc/81/82/65/654818265.db2.gz NZHMTLYLKVGNKI-DOMZBBRYSA-N 1 0 382.302 2.767 20 0 GFADRO O=C(Nc1cncc(Br)c1)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000126803254 654821030 /nfs/dbraw/zinc/82/10/30/654821030.db2.gz CVIPGKIXOMKFQQ-HZPDHXFCSA-N 1 0 397.317 2.734 20 0 GFADRO C[NH+](C)C1CCN(C(=O)c2cnn(-c3ccc(Br)cc3)c2)CC1 ZINC000058863074 654823632 /nfs/dbraw/zinc/82/36/32/654823632.db2.gz QKKSZSXKZASTAI-UHFFFAOYSA-N 1 0 377.286 2.801 20 0 GFADRO O=C(NCC1CC1)[C@H]1CCC[N@@H+](C[C@H](O)c2cccc(Br)c2)C1 ZINC000127190844 654825904 /nfs/dbraw/zinc/82/59/04/654825904.db2.gz IZBPNCWTLWJPNZ-RDJZCZTQSA-N 1 0 381.314 2.721 20 0 GFADRO C[C@H](CCS(C)(=O)=O)[NH2+][C@@H](C)CC(=O)Nc1ccc(Br)cc1 ZINC000127397418 654828865 /nfs/dbraw/zinc/82/88/65/654828865.db2.gz YUANZIKSNOVUCX-NEPJUHHUSA-N 1 0 391.331 2.579 20 0 GFADRO O=C(c1cc(Br)c2c(c1)OCCO2)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000128145917 654841822 /nfs/dbraw/zinc/84/18/22/654841822.db2.gz DEHNTODNNFSVII-CYBMUJFWSA-N 1 0 395.297 2.778 20 0 GFADRO O=C(C1CC[NH+](CCOc2ccc(Cl)cc2Cl)CC1)N1CCOCC1 ZINC000061778433 654842588 /nfs/dbraw/zinc/84/25/88/654842588.db2.gz VSNVKKLWCRAKAD-UHFFFAOYSA-N 1 0 387.307 2.943 20 0 GFADRO C[C@@H]1C[NH+](CCCNC(=O)c2cc(F)c(F)cc2Br)C[C@@H](C)O1 ZINC000128638343 654849302 /nfs/dbraw/zinc/84/93/02/654849302.db2.gz GDXLBOJXDFDNOQ-GHMZBOCLSA-N 1 0 391.256 2.956 20 0 GFADRO COc1cccc(OC)c1OC[C@H](O)C[NH2+]Cc1ccccc1Br ZINC000063525326 654854060 /nfs/dbraw/zinc/85/40/60/654854060.db2.gz PJCHIHWELXQZFZ-CQSZACIVSA-N 1 0 396.281 2.996 20 0 GFADRO COCC[N@H+]1[C@H](C)CN([C@@H](C)C(=O)Nc2cccc(Br)c2)C[C@@H]1C ZINC000129006785 654854132 /nfs/dbraw/zinc/85/41/32/654854132.db2.gz RDOIYXDJGOLVFW-ZNMIVQPWSA-N 1 0 398.345 2.817 20 0 GFADRO CN1CC[NH+](CCCCNC(=O)CCOc2ccc(Cl)c(Cl)c2)CC1 ZINC000063783584 654857950 /nfs/dbraw/zinc/85/79/50/654857950.db2.gz GOQKKBTYCPRDRE-UHFFFAOYSA-N 1 0 388.339 2.906 20 0 GFADRO CS(=O)(=O)c1cc(C(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)ccc1Cl ZINC000266159864 654859909 /nfs/dbraw/zinc/85/99/09/654859909.db2.gz OWLUSYVGKSKYQD-AWEZNQCLSA-N 1 0 384.929 2.692 20 0 GFADRO C=CCOc1c(Br)cc(C[NH2+]CC(=O)N(CC)CC)cc1OC ZINC000064411586 654868573 /nfs/dbraw/zinc/86/85/73/654868573.db2.gz UXSFASGGCSELQP-UHFFFAOYSA-N 1 0 385.302 2.981 20 0 GFADRO O=C(NCCCC[N@H+]1CCC[C@@H]1CO)Nc1nnc(-c2ccsc2)s1 ZINC000266440315 654879313 /nfs/dbraw/zinc/87/93/13/654879313.db2.gz OSYYUFIADZCLDM-CYBMUJFWSA-N 1 0 381.527 2.625 20 0 GFADRO Cc1cc(C[NH+](C)C)cc(NC(=O)c2cc(S(N)(=O)=O)ccc2Cl)c1 ZINC000130227276 654884618 /nfs/dbraw/zinc/88/46/18/654884618.db2.gz VLFKMMCEOQAAFB-UHFFFAOYSA-N 1 0 381.885 2.610 20 0 GFADRO CC(C)C[N@H+](C)CC(=O)N1CCN(Cc2ccc(Br)s2)CC1 ZINC000065961024 654891499 /nfs/dbraw/zinc/89/14/99/654891499.db2.gz GKVCJAXFDGJVAZ-UHFFFAOYSA-N 1 0 388.375 2.743 20 0 GFADRO CC[N@H+](C)CCNS(=O)(=O)c1ccc(Br)cc1C(F)(F)F ZINC000130915401 654893549 /nfs/dbraw/zinc/89/35/49/654893549.db2.gz OISVACULLJHINE-UHFFFAOYSA-N 1 0 389.237 2.698 20 0 GFADRO O=C(/C=C/c1cc(Br)cs1)N1CC[NH+](C2CCOCC2)CC1 ZINC000266975690 654901892 /nfs/dbraw/zinc/90/18/92/654901892.db2.gz VTYNTGVCBWLZMA-OWOJBTEDSA-N 1 0 385.327 2.847 20 0 GFADRO C[C@@H](Oc1ccccc1Br)C(=O)NCCCC[N@@H+]1CCC[C@@H]1CO ZINC000131387364 654904920 /nfs/dbraw/zinc/90/49/20/654904920.db2.gz YACIZVWRUZCRIU-HUUCEWRRSA-N 1 0 399.329 2.570 20 0 GFADRO OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1Nc1ncc(Br)cn1 ZINC000267018572 654905043 /nfs/dbraw/zinc/90/50/43/654905043.db2.gz JKDWVQUABSEKMY-GOEBONIOSA-N 1 0 377.286 2.534 20 0 GFADRO C[C@@H]1CCC[C@@H](C)[NH+]1CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000066531880 654905362 /nfs/dbraw/zinc/90/53/62/654905362.db2.gz TZNPMDZXQOXHDX-CHWSQXEVSA-N 1 0 387.933 2.792 20 0 GFADRO CCCC(=O)N1CSC[C@H]1C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000066602465 654909025 /nfs/dbraw/zinc/90/90/25/654909025.db2.gz HRXXWRVCXIJAIP-CABCVRRESA-N 1 0 381.567 2.703 20 0 GFADRO CC[N@H+](CC(=O)NCCC(=O)Nc1cc(Br)ccc1C)C1CC1 ZINC000131753805 654916760 /nfs/dbraw/zinc/91/67/60/654916760.db2.gz KHBCSXUJPJOOMQ-UHFFFAOYSA-N 1 0 382.302 2.687 20 0 GFADRO C[C@H](CC(N)=O)[NH2+][C@@H](c1ccc(Cl)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000267204446 654917261 /nfs/dbraw/zinc/91/72/61/654917261.db2.gz GFRYMUQEDPTVFJ-XIKOKIGWSA-N 1 0 380.897 2.686 20 0 GFADRO C[N@H+](CCNC(=O)[C@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl)C1CC1 ZINC000066924219 654921660 /nfs/dbraw/zinc/92/16/60/654921660.db2.gz PUMILXYVQUSAEW-MRXNPFEDSA-N 1 0 384.307 2.808 20 0 GFADRO COc1cc(Br)c(OCC[N@H+](C)[C@H](C)CO)cc1Br ZINC000132039284 654925702 /nfs/dbraw/zinc/92/57/02/654925702.db2.gz DRTGDILWESPWHJ-SECBINFHSA-N 1 0 397.107 2.912 20 0 GFADRO COc1ccc(CN2CC[NH+](C[C@H]3CCOC3)CC2)c(Br)c1OC ZINC000267436835 654928494 /nfs/dbraw/zinc/92/84/94/654928494.db2.gz OWECJGOCILZPNI-CQSZACIVSA-N 1 0 399.329 2.620 20 0 GFADRO COc1ccc(CN2CC[NH+](C[C@@H]3CCOC3)CC2)c(Br)c1OC ZINC000267436832 654928558 /nfs/dbraw/zinc/92/85/58/654928558.db2.gz OWECJGOCILZPNI-AWEZNQCLSA-N 1 0 399.329 2.620 20 0 GFADRO OC[C@@H]1CC[N@H+](Cc2coc(-c3ccc(I)cc3)n2)C1 ZINC000132347946 654934721 /nfs/dbraw/zinc/93/47/21/654934721.db2.gz BFKFEOGUFSKEDZ-LLVKDONJSA-N 1 0 384.217 2.760 20 0 GFADRO CCOCCC[N@@H+]1CC[C@@H](NS(=O)(=O)c2c(F)cccc2Cl)[C@H](C)C1 ZINC000132428493 654937599 /nfs/dbraw/zinc/93/75/99/654937599.db2.gz MCMKLVWVDXFIPR-CZUORRHYSA-N 1 0 392.924 2.894 20 0 GFADRO Cc1ccc(NC(=O)C(=O)N[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)c(Br)c1 ZINC000067398109 654937688 /nfs/dbraw/zinc/93/76/88/654937688.db2.gz MZCDHKWMYCIWHH-KBPBESRZSA-N 1 0 396.329 2.933 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)NC[C@H](O)C[NH+]1CCC(C)CC1 ZINC000067545023 654940733 /nfs/dbraw/zinc/94/07/33/654940733.db2.gz YADWQZUVLIYLDT-HNNXBMFYSA-N 1 0 384.318 2.972 20 0 GFADRO CN(C)C(=O)c1ccc(C[NH2+]Cc2cc(Br)c3c(c2)OCCO3)[nH]1 ZINC000267672881 654941222 /nfs/dbraw/zinc/94/12/22/654941222.db2.gz ZOLWXWIZFFKTNO-UHFFFAOYSA-N 1 0 394.269 2.540 20 0 GFADRO O=S(=O)(CC[NH2+]Cc1cc(Cl)c2c(c1)OCCO2)c1ccc(F)cc1 ZINC000132563352 654941934 /nfs/dbraw/zinc/94/19/34/654941934.db2.gz FLEQTSBVUBSNLB-UHFFFAOYSA-N 1 0 385.844 2.814 20 0 GFADRO CN1C[C@@H](C(=O)N(CCC[NH+](C)C)Cc2ccc(Cl)c(Cl)c2)CC1=O ZINC000067873058 654947039 /nfs/dbraw/zinc/94/70/39/654947039.db2.gz SJOFMBPJKQTDEC-AWEZNQCLSA-N 1 0 386.323 2.752 20 0 GFADRO CC[NH+](CC)CCSCC(=O)NCCc1nc(-c2ccncc2)cs1 ZINC000267859711 654949302 /nfs/dbraw/zinc/94/93/02/654949302.db2.gz GFNNDBLTHYMGER-UHFFFAOYSA-N 1 0 378.567 2.939 20 0 GFADRO Cc1ccc(NC(=O)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)cc1Br ZINC000133242448 654957794 /nfs/dbraw/zinc/95/77/94/654957794.db2.gz HOWVIGPSLVMVQI-LBPRGKRZSA-N 1 0 384.318 2.789 20 0 GFADRO O=C(NCc1cc2c(c(Br)c1)OCO2)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000068364943 654960769 /nfs/dbraw/zinc/96/07/69/654960769.db2.gz FJSIEINIVZKPLD-UONOGXRCSA-N 1 0 396.285 2.604 20 0 GFADRO CC(C)CN(CC[NH+](C)C)C(=O)c1cc(Br)c2c(c1)OCCO2 ZINC000133363704 654961878 /nfs/dbraw/zinc/96/18/78/654961878.db2.gz UHNNBDHVZJJKMK-UHFFFAOYSA-N 1 0 385.302 2.880 20 0 GFADRO C[NH+](C)[C@@H]1CCCN(C(=O)c2ccc(-n3cc(Br)cn3)cc2)C1 ZINC000068487063 654963892 /nfs/dbraw/zinc/96/38/92/654963892.db2.gz HGQJGFRNYXKAJF-MRXNPFEDSA-N 1 0 377.286 2.801 20 0 GFADRO CN(Cc1cc(Br)cn1C)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000268251011 654964812 /nfs/dbraw/zinc/96/48/12/654964812.db2.gz JAXTYGASPCBYGD-GOOCMWNKSA-N 1 0 383.334 2.944 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1c(F)cccc1I ZINC000268344940 654967643 /nfs/dbraw/zinc/96/76/43/654967643.db2.gz IFKTWJPLZGHYFA-OLZOCXBDSA-N 1 0 388.224 2.787 20 0 GFADRO O=C(CN1CCC(C[NH+]2CCOCC2)CC1)Nc1cccc(Cl)c1Cl ZINC000069029878 654971409 /nfs/dbraw/zinc/97/14/09/654971409.db2.gz TYSDUUQTHXUAPX-UHFFFAOYSA-N 1 0 386.323 2.976 20 0 GFADRO CC(C)Sc1ccccc1NC(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000268468166 654973232 /nfs/dbraw/zinc/97/32/32/654973232.db2.gz QMKUAVVRWFWKPO-SFHVURJKSA-N 1 0 381.567 2.679 20 0 GFADRO CC[N@@H+]1CCC[C@H](CNC(=O)C[C@H]2Sc3ccc(Cl)cc3NC2=O)C1 ZINC000069143629 654974745 /nfs/dbraw/zinc/97/47/45/654974745.db2.gz HWZCGVXRKALVSJ-MLGOLLRUSA-N 1 0 381.929 2.991 20 0 GFADRO Cc1cc(C(=O)NC[C@@H](C(C)C)[NH+]2CCN(C)CC2)c(Br)s1 ZINC000268503073 654975365 /nfs/dbraw/zinc/97/53/65/654975365.db2.gz PKDBSJSCJDXAOY-AWEZNQCLSA-N 1 0 388.375 2.821 20 0 GFADRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1cc(I)ccc1F ZINC000268531034 654976691 /nfs/dbraw/zinc/97/66/91/654976691.db2.gz PZXUHAIHGWAGDQ-HZMBPMFUSA-N 1 0 390.240 2.843 20 0 GFADRO O=C(NCc1cccc(Br)c1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000069443939 654981590 /nfs/dbraw/zinc/98/15/90/654981590.db2.gz ZZXJQLGJBWFRQD-UHFFFAOYSA-N 1 0 396.329 2.703 20 0 GFADRO O=C(COc1ccc(Cl)cc1Cl)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000069709955 654985561 /nfs/dbraw/zinc/98/55/61/654985561.db2.gz YEIFVKSPDVJJRW-CQSZACIVSA-N 1 0 387.307 2.943 20 0 GFADRO O=C(/C=C/c1ccc(Br)o1)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000069741647 654985719 /nfs/dbraw/zinc/98/57/19/654985719.db2.gz BRQVRIOQJDTCOG-YVZNUBBCSA-N 1 0 383.286 2.626 20 0 GFADRO COC[C@](C)(O)C[NH2+]Cc1cc(Br)ccc1OCc1ccccn1 ZINC000069911997 654989036 /nfs/dbraw/zinc/98/90/36/654989036.db2.gz JOIVDXRBJKARGK-GOSISDBHSA-N 1 0 395.297 2.910 20 0 GFADRO NC(=O)[C@@H]1CCCN1CCC[NH2+][C@@H]1CCc2c1cc(Br)cc2F ZINC000268934957 654991844 /nfs/dbraw/zinc/99/18/44/654991844.db2.gz RLEAWCQVQNZYLJ-CVEARBPZSA-N 1 0 384.293 2.505 20 0 GFADRO O=C(Nc1nc(C(F)(F)F)cs1)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000268941943 654992163 /nfs/dbraw/zinc/99/21/63/654992163.db2.gz GBGMLFZQTLYEAX-MNOVXSKESA-N 1 0 378.420 2.661 20 0 GFADRO C[C@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2Cl)[C@@H]1C[NH3+] ZINC000070177350 654992366 /nfs/dbraw/zinc/99/23/66/654992366.db2.gz VMAAWGFVCOICPM-JOYOIKCWSA-N 1 0 381.723 2.850 20 0 GFADRO C[C@@H]([NH2+]C1CCN(S(=O)(=O)C(F)(F)F)CC1)c1ccc2c(c1)COC2 ZINC000269001989 654994743 /nfs/dbraw/zinc/99/47/43/654994743.db2.gz JUVJXDHCGDRMBC-LLVKDONJSA-N 1 0 378.416 2.681 20 0 GFADRO O=C(NCc1ccc(Br)cc1)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000269014122 654995182 /nfs/dbraw/zinc/99/51/82/654995182.db2.gz MQPCZIBMICDYBW-DLBZAZTESA-N 1 0 396.329 2.626 20 0 GFADRO CCC[C@@H]([NH3+])C(=O)N1CCC(C(=O)Nc2cccc(Br)c2)CC1 ZINC000269047805 654996100 /nfs/dbraw/zinc/99/61/00/654996100.db2.gz HFRLWAPNUVHACM-OAHLLOKOSA-N 1 0 382.302 2.754 20 0 GFADRO C[NH2+][C@H]1CCN(C(=O)[C@H]2CCCN(C(=O)c3ccc(Cl)c(Cl)c3)C2)C1 ZINC000269124378 654998727 /nfs/dbraw/zinc/99/87/27/654998727.db2.gz LHCCKAWQODWFFQ-KBPBESRZSA-N 1 0 384.307 2.666 20 0 GFADRO C[C@@H]1CN(C(=O)[C@H](c2ccc(Cl)cc2Cl)N2CCOCC2)CC[C@H]1[NH3+] ZINC000269188797 655001111 /nfs/dbraw/zinc/00/11/11/655001111.db2.gz GTRPHEWACPLUTQ-JLZZUVOBSA-N 1 0 386.323 2.562 20 0 GFADRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)c1cc(F)ccc1I ZINC000269242589 655002537 /nfs/dbraw/zinc/00/25/37/655002537.db2.gz CXAKIZLNRMKQKM-ZANVPECISA-N 1 0 376.213 2.678 20 0 GFADRO C[NH+](C)Cc1ccc(CNS(=O)(=O)c2c(F)cc(F)cc2F)cc1F ZINC000134899752 655005731 /nfs/dbraw/zinc/00/57/31/655005731.db2.gz WKASEZQDDIHLIZ-UHFFFAOYSA-N 1 0 376.375 2.783 20 0 GFADRO COc1ccc(NC(=O)CC[N@H+](CCS(C)(=O)=O)C(C)(C)C)cc1Cl ZINC000269337263 655006053 /nfs/dbraw/zinc/00/60/53/655006053.db2.gz UNLNMFGVUMAGPU-UHFFFAOYSA-N 1 0 390.933 2.822 20 0 GFADRO Cn1cc(NC(=O)NC[C@@H](c2ccsc2)[NH+](C)C)cc(Br)c1=O ZINC000269386696 655007924 /nfs/dbraw/zinc/00/79/24/655007924.db2.gz JVQRXCUXBDUYPB-ZDUSSCGKSA-N 1 0 399.314 2.634 20 0 GFADRO C[NH+](C)[C@H]1CCN(c2ccc(NC(=O)c3cncc(Br)c3)nc2)C1 ZINC000269429820 655009181 /nfs/dbraw/zinc/00/91/81/655009181.db2.gz NUWNWFMNFVPBHV-HNNXBMFYSA-N 1 0 390.285 2.632 20 0 GFADRO C[NH+](C)[C@H]1CCN(c2ccc(NC(=O)c3ccncc3Br)nc2)C1 ZINC000269446078 655009783 /nfs/dbraw/zinc/00/97/83/655009783.db2.gz RWWMSJYDRVSKHO-ZDUSSCGKSA-N 1 0 390.285 2.632 20 0 GFADRO O=C(Nc1ccc(Br)cn1)[C@@H]1CCC[N@H+](CC2=CCCOC2)C1 ZINC000091842339 655010407 /nfs/dbraw/zinc/01/04/07/655010407.db2.gz VASHZHIMSQMUMP-CQSZACIVSA-N 1 0 380.286 2.841 20 0 GFADRO CN(C[C@@H](O)c1ccccc1Br)C(=O)NCCCC[N@H+](C)C1CC1 ZINC000838734498 661055568 /nfs/dbraw/zinc/05/55/68/661055568.db2.gz SPWYMNMHCQGUCX-QGZVFWFLSA-N 1 0 398.345 2.998 20 0 GFADRO Cc1ncsc1C[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2ccc(C)cc2)C1 ZINC000092964416 655016278 /nfs/dbraw/zinc/01/62/78/655016278.db2.gz SWIOAHLGBKZHLH-INIZCTEOSA-N 1 0 379.551 2.950 20 0 GFADRO CN(Cc1ccccc1Br)C(=O)C[N@@H+]1CCS[C@@H]2COCC[C@@H]21 ZINC000135546109 655020181 /nfs/dbraw/zinc/02/01/81/655020181.db2.gz QZHDKXHTHFWHCL-JKSUJKDBSA-N 1 0 399.354 2.614 20 0 GFADRO COc1sc(CN2CC[NH+](C[C@@H]3CCOC3)CC2)cc1Br ZINC000093817499 655021203 /nfs/dbraw/zinc/02/12/03/655021203.db2.gz MBZOCZPIEXGDSO-LBPRGKRZSA-N 1 0 375.332 2.673 20 0 GFADRO Brc1ccc2c(c1)C=C(CN1CC[NH+](C[C@@H]3CCOC3)CC1)CO2 ZINC000093817889 655021408 /nfs/dbraw/zinc/02/14/08/655021408.db2.gz ZSPFIEATDHEDKC-HNNXBMFYSA-N 1 0 393.325 2.879 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)c1cnn2cc(Br)cnc12 ZINC000093971241 655025720 /nfs/dbraw/zinc/02/57/20/655025720.db2.gz LCXLHIDOQHOOBM-CYBMUJFWSA-N 1 0 394.317 2.876 20 0 GFADRO C[C@H]1CCC[C@](CNC(=O)c2cnn3cc(Br)cnc23)([NH+](C)C)C1 ZINC000094036038 655026596 /nfs/dbraw/zinc/02/65/96/655026596.db2.gz MTSIWJPTKUQFEM-SJCJKPOMSA-N 1 0 394.317 2.732 20 0 GFADRO CSCC[C@H](CO)NC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000136575998 655033445 /nfs/dbraw/zinc/03/34/45/655033445.db2.gz SRSWNOIWSDOOMZ-QGZVFWFLSA-N 1 0 385.961 2.718 20 0 GFADRO CCOc1c(Br)cc(Cl)cc1NC(=O)C[C@@H]1C[NH2+]CCO1 ZINC000097698788 655037486 /nfs/dbraw/zinc/03/74/86/655037486.db2.gz OJDCTIARJJVQAC-SNVBAGLBSA-N 1 0 377.666 2.818 20 0 GFADRO O=S(=O)(NC1CC[NH+](CCc2ccncc2)CC1)c1cccc(Cl)c1 ZINC000101578117 655045087 /nfs/dbraw/zinc/04/50/87/655045087.db2.gz OGCJHOYTZJLPIO-UHFFFAOYSA-N 1 0 379.913 2.720 20 0 GFADRO CC[NH+]1CCC(NC(=O)[C@]23CCC(=O)N2c2cc(Cl)ccc2S3)CC1 ZINC000101686927 655046058 /nfs/dbraw/zinc/04/60/58/655046058.db2.gz FTXVMCWJEREYGI-GOSISDBHSA-N 1 0 379.913 2.869 20 0 GFADRO CC[N@@H+]1CCCN(C(=O)[C@@]23CCC(=O)N2c2cc(Cl)ccc2S3)CC1 ZINC000101694916 655046091 /nfs/dbraw/zinc/04/60/91/655046091.db2.gz BQUPIIVELKPYNR-SFHVURJKSA-N 1 0 379.913 2.823 20 0 GFADRO CC[N@H+](C)CCNC(=O)c1c(C)nn(-c2ccc(Br)cc2)c1C ZINC000101694128 655046145 /nfs/dbraw/zinc/04/61/45/655046145.db2.gz SOEJIDZJSBAVCR-UHFFFAOYSA-N 1 0 379.302 2.933 20 0 GFADRO COc1ccc(CNC(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)cc1Br ZINC000101983011 655049397 /nfs/dbraw/zinc/04/93/97/655049397.db2.gz ZOHLMYMXYSLLRI-ZDUSSCGKSA-N 1 0 382.302 2.741 20 0 GFADRO C[C@H](Cc1ccc(Br)cc1)C(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000270918568 655060250 /nfs/dbraw/zinc/06/02/50/655060250.db2.gz UHIVUAJGZVFIGL-OAHLLOKOSA-N 1 0 397.357 2.933 20 0 GFADRO CCC[C@@H]1CN(C[C@@H](O)c2ccc(Br)cc2)CC[N@@H+]1CCOC ZINC000271076037 655065931 /nfs/dbraw/zinc/06/59/31/655065931.db2.gz WXYLYUGFJIDQTP-QZTJIDSGSA-N 1 0 385.346 2.915 20 0 GFADRO C[NH+]1CCC(CCNC(=O)NCc2cn3cc(Br)ccc3n2)CC1 ZINC000103309313 655070801 /nfs/dbraw/zinc/07/08/01/655070801.db2.gz XZTQPIJCTQLBBU-UHFFFAOYSA-N 1 0 394.317 2.628 20 0 GFADRO Cn1cc(C(=O)NCC2CC[NH+](Cc3ccccc3Br)CC2)cn1 ZINC000104091933 655078761 /nfs/dbraw/zinc/07/87/61/655078761.db2.gz ZRWVGXJTAWMXSR-UHFFFAOYSA-N 1 0 391.313 2.825 20 0 GFADRO COc1cc[nH+]c(N2CCN(C(=O)c3ccc(Br)s3)CC2)c1 ZINC000104515999 655081751 /nfs/dbraw/zinc/08/17/51/655081751.db2.gz MAYWBEZNWWXIAI-UHFFFAOYSA-N 1 0 382.283 2.877 20 0 GFADRO NC(=O)[C@H](c1ccc(Br)cc1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000104694763 655084404 /nfs/dbraw/zinc/08/44/04/655084404.db2.gz NAEJGXJRMVQQKU-KRWDZBQOSA-N 1 0 380.330 2.783 20 0 GFADRO COc1ccc2c(c1)[C@H]([NH2+]C[C@@H](O)CS(=O)(=O)c1cccs1)CCC2 ZINC000271535619 655084522 /nfs/dbraw/zinc/08/45/22/655084522.db2.gz RWGDSECGDIYGKR-RHSMWYFYSA-N 1 0 381.519 2.559 20 0 GFADRO COCCN(CC[NH+](C)C)C(=O)N[C@H](C)Cc1ccc(Br)cc1 ZINC000105156261 655089265 /nfs/dbraw/zinc/08/92/65/655089265.db2.gz GLPXVJUMKHVKJN-CQSZACIVSA-N 1 0 386.334 2.600 20 0 GFADRO C[NH+](C)[C@H]1CCCN(C(=O)N[C@H]2CCN(c3ccc(Br)cc3)C2)C1 ZINC000105243446 655089756 /nfs/dbraw/zinc/08/97/56/655089756.db2.gz IRWATIIZSJAYAA-RDJZCZTQSA-N 1 0 395.345 2.763 20 0 GFADRO C[NH+](C)C[C@@H](Cc1ccccc1)N[C@H](C(N)=O)c1ccc(Br)cc1 ZINC000105401615 655092657 /nfs/dbraw/zinc/09/26/57/655092657.db2.gz UXPXOMLPSJFGJZ-MSOLQXFVSA-N 1 0 390.325 2.738 20 0 GFADRO C[C@H]([NH2+]C[C@H](c1cccs1)N1CCCC1)c1cccc(S(N)(=O)=O)c1 ZINC000271833488 655096333 /nfs/dbraw/zinc/09/63/33/655096333.db2.gz JQELGNNAHOHYCD-WMLDXEAASA-N 1 0 379.551 2.883 20 0 GFADRO COc1c(Cl)cc(Cl)cc1C[NH2+][C@H]1CCO[C@]2(CCS(=O)(=O)C2)C1 ZINC000271984066 655099966 /nfs/dbraw/zinc/09/99/66/655099966.db2.gz KCNLUDFXLRATDM-XJKSGUPXSA-N 1 0 394.320 2.828 20 0 GFADRO CC(C)C[C@@](C)(C[NH3+])NC(=O)c1ccc(F)cc1I ZINC000157533982 655101083 /nfs/dbraw/zinc/10/10/83/655101083.db2.gz OJWCEXYKPCDOQW-AWEZNQCLSA-N 1 0 378.229 2.924 20 0 GFADRO CC[C@@H]1CN([C@@H](C)C(=O)Nc2cccc(Br)c2)CC[N@@H+]1C[C@@H](C)O ZINC000106103243 655102689 /nfs/dbraw/zinc/10/26/89/655102689.db2.gz FXFLREBAURKDFV-JKIFEVAISA-N 1 0 398.345 2.553 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CCCC2)C1 ZINC000272166298 655104779 /nfs/dbraw/zinc/10/47/79/655104779.db2.gz BFTOAZLIGXYPTJ-UONOGXRCSA-N 1 0 384.929 2.622 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)c2ccc(Cl)c(I)c2)C1 ZINC000272324712 655108992 /nfs/dbraw/zinc/10/89/92/655108992.db2.gz UOIWUPXPDHBLFL-SCZZXKLOSA-N 1 0 378.641 2.754 20 0 GFADRO Cc1sc(Br)cc1S(=O)(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000158784555 655109193 /nfs/dbraw/zinc/10/91/93/655109193.db2.gz NABSCFRSYIYHLJ-GHMZBOCLSA-N 1 0 379.345 2.724 20 0 GFADRO O=C(c1cnn(-c2cccc(Br)c2)c1)N1CC[NH+](CC2CC2)CC1 ZINC000106747024 655110492 /nfs/dbraw/zinc/11/04/92/655110492.db2.gz QZIRALGJQUYAPQ-UHFFFAOYSA-N 1 0 389.297 2.803 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)c1ccn(-c2cccc(Br)c2)n1)C1CC1 ZINC000106747312 655110506 /nfs/dbraw/zinc/11/05/06/655110506.db2.gz WWNHEMGVVXIDOX-MRXNPFEDSA-N 1 0 377.286 2.705 20 0 GFADRO CC[C@H](C)[N@H+](C)CCNC(=O)Nc1ccncc1I ZINC000272382357 655110791 /nfs/dbraw/zinc/11/07/91/655110791.db2.gz UNNKVJXTVXOSTG-JTQLQIEISA-N 1 0 376.242 2.538 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cnn(-c2cccc(Br)c2)c1 ZINC000106902905 655114212 /nfs/dbraw/zinc/11/42/12/655114212.db2.gz YCFRRGPZUGTGLX-MRXNPFEDSA-N 1 0 377.286 2.849 20 0 GFADRO C[N@@H+]1CC[C@H]2CCN(C(=O)c3cn(-c4ccc(Br)cc4)cn3)[C@@H]2C1 ZINC000272491212 655114870 /nfs/dbraw/zinc/11/48/70/655114870.db2.gz NBOJYAIUDDGQSQ-SUMWQHHRSA-N 1 0 389.297 2.801 20 0 GFADRO CC[NH+]1CCN([C@H]2CCN(Cc3ccc(OC)c(Br)c3)C2)CC1 ZINC000107370907 655120373 /nfs/dbraw/zinc/12/03/73/655120373.db2.gz PMOLOJOQFFCXGP-INIZCTEOSA-N 1 0 382.346 2.670 20 0 GFADRO COc1ccc([C@H](C)[NH2+]CC2CCN(S(=O)(=O)C(F)F)CC2)cc1C ZINC000272902410 655124699 /nfs/dbraw/zinc/12/46/99/655124699.db2.gz KMFHMFRRYBKZDF-ZDUSSCGKSA-N 1 0 376.469 2.919 20 0 GFADRO NS(=O)(=O)c1ccc(CC[N@@H+]2CCc3c(Br)cccc3C2)cc1 ZINC000107910997 655126296 /nfs/dbraw/zinc/12/62/96/655126296.db2.gz CHWWPXGHMMLUGW-UHFFFAOYSA-N 1 0 395.322 2.697 20 0 GFADRO CN(C(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1)C1CCC([NH3+])CC1 ZINC000161415453 655127002 /nfs/dbraw/zinc/12/70/02/655127002.db2.gz NUAZJMZCNJXNCI-HSBZDZAISA-N 1 0 394.313 2.530 20 0 GFADRO C[C@@]1(CNC(=O)c2cc(F)c(F)cc2I)CCC[NH2+]C1 ZINC000273018230 655127876 /nfs/dbraw/zinc/12/78/76/655127876.db2.gz PZAOFKSEVUXQIH-CQSZACIVSA-N 1 0 394.203 2.689 20 0 GFADRO CC[N@H+](CC(=O)NCCc1cn2cc(Br)cc(C)c2n1)C1CC1 ZINC000273421954 655142874 /nfs/dbraw/zinc/14/28/74/655142874.db2.gz RLTOJAHNVDLMGP-UHFFFAOYSA-N 1 0 379.302 2.548 20 0 GFADRO C[NH+](C)C1(CNC(=O)C(=O)Nc2cc(Cl)c(N)c(Cl)c2)CCCCC1 ZINC000839456074 661085130 /nfs/dbraw/zinc/08/51/30/661085130.db2.gz ULGRTQCKFDMNHW-UHFFFAOYSA-N 1 0 387.311 2.895 20 0 GFADRO COc1ccc(Br)c(NC(=O)N2C[C@@H](SC)[C@H]([NH+](C)C)C2)c1 ZINC000273734365 655156383 /nfs/dbraw/zinc/15/63/83/655156383.db2.gz RCAPFWGKPBHIKG-ZIAGYGMSSA-N 1 0 388.331 2.967 20 0 GFADRO C[C@@H]1C[C@H](N(C)S(=O)(=O)N(C)Cc2c(F)cccc2Cl)CC[N@@H+]1C ZINC000173275954 655166597 /nfs/dbraw/zinc/16/65/97/655166597.db2.gz HOQKJNVRRUCOFY-CHWSQXEVSA-N 1 0 377.913 2.570 20 0 GFADRO O=C1CCCN1[C@H]1CCC[N@@H+](C[C@@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000111294616 655167973 /nfs/dbraw/zinc/16/79/73/655167973.db2.gz WMCDOGYEBHQSKS-LSDHHAIUSA-N 1 0 387.307 2.820 20 0 GFADRO CN(C)CC[NH+]1CCC(CNC(=O)c2ccc(F)c(Br)c2)CC1 ZINC000173409572 655170739 /nfs/dbraw/zinc/17/07/39/655170739.db2.gz WJMIDEIREQCKAR-UHFFFAOYSA-N 1 0 386.309 2.592 20 0 GFADRO C[C@@H](CN1CCOCC1)[NH2+]Cc1nc(-c2cccc(Br)c2)c[nH]1 ZINC000111383273 655172210 /nfs/dbraw/zinc/17/22/10/655172210.db2.gz OCHNFKSRFYRMOO-ZDUSSCGKSA-N 1 0 379.302 2.650 20 0 GFADRO COC(=O)CC[N@H+](Cn1ncc2c1cccc2Br)C1CCOCC1 ZINC000173534329 655174064 /nfs/dbraw/zinc/17/40/64/655174064.db2.gz UXWYSDOVSPMOHN-UHFFFAOYSA-N 1 0 396.285 2.800 20 0 GFADRO Cc1cc(Br)cn2cc(CNC(=O)N3CCC[C@@H]([NH+](C)C)C3)nc12 ZINC000274129089 655174582 /nfs/dbraw/zinc/17/45/82/655174582.db2.gz CDZHWAUPBUHIBI-OAHLLOKOSA-N 1 0 394.317 2.641 20 0 GFADRO CC[NH+](CC)C[C@H]1CCN(C(=O)c2cc(S(=O)(=O)CC)ccc2Cl)C1 ZINC000173593183 655175351 /nfs/dbraw/zinc/17/53/51/655175351.db2.gz DJPNCKQPEXYCOD-CQSZACIVSA-N 1 0 386.945 2.938 20 0 GFADRO CC(C)[NH+](CCCNC(=O)c1ccc(S(=O)(=O)C(F)F)cc1)C(C)C ZINC000173612520 655175744 /nfs/dbraw/zinc/17/57/44/655175744.db2.gz VVJQNINSWLVFKI-UHFFFAOYSA-N 1 0 376.469 2.922 20 0 GFADRO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)Nc2ccc(C)c(Br)c2)C1 ZINC000173709646 655176988 /nfs/dbraw/zinc/17/69/88/655176988.db2.gz SLGBHJBEMOXQQM-CQSZACIVSA-N 1 0 382.302 2.639 20 0 GFADRO Cn1ccc(N2CCC[C@@H]([N@H+](C)CCc3ccc(Br)cc3)C2=O)n1 ZINC000173708370 655177085 /nfs/dbraw/zinc/17/70/85/655177085.db2.gz OPIXZJOCGACDDX-MRXNPFEDSA-N 1 0 391.313 2.853 20 0 GFADRO C[C@H](CNC(=O)N[C@@H]1CCN(c2ccccc2Br)C1)[N@H+](C)C1CC1 ZINC000111856763 655178350 /nfs/dbraw/zinc/17/83/50/655178350.db2.gz AXHVVOQJIXJLKM-ZIAGYGMSSA-N 1 0 395.345 2.810 20 0 GFADRO C[NH+](C)[C@H]1CCCN(C(=O)N[C@H]2CCN(c3ccccc3Br)C2)C1 ZINC000111896774 655178790 /nfs/dbraw/zinc/17/87/90/655178790.db2.gz SLADOLCNMGDKFB-GJZGRUSLSA-N 1 0 395.345 2.763 20 0 GFADRO C[NH+](C)CCn1ccc(NC(=O)NCc2ccc(F)cc2Br)n1 ZINC000173935075 655186689 /nfs/dbraw/zinc/18/66/89/655186689.db2.gz SYWAWYWMGWPTQN-UHFFFAOYSA-N 1 0 384.253 2.668 20 0 GFADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cnc(-c4ccsc4)s3)C2)CC1 ZINC000112294648 655187045 /nfs/dbraw/zinc/18/70/45/655187045.db2.gz QDSRGRPUMKWAOZ-OAHLLOKOSA-N 1 0 376.551 2.724 20 0 GFADRO CC(C)c1nccn1CCC(=O)NCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000174223206 655193817 /nfs/dbraw/zinc/19/38/17/655193817.db2.gz IOFCNNQSALDTIK-UHFFFAOYSA-N 1 0 383.901 2.640 20 0 GFADRO CC[NH+]1CCN([C@H](C)CNC(=O)c2cc3ccc(Br)cc3[nH]2)CC1 ZINC000112916826 655199481 /nfs/dbraw/zinc/19/94/81/655199481.db2.gz ASWAHTYBQTWCQA-CYBMUJFWSA-N 1 0 393.329 2.686 20 0 GFADRO CC[N@H+](CCNC(=O)[C@@H]1CSCN1C(=O)c1ccc(Cl)cc1)C(C)C ZINC000112928169 655200103 /nfs/dbraw/zinc/20/01/03/655200103.db2.gz RHUMJVRGCITSSM-INIZCTEOSA-N 1 0 383.945 2.702 20 0 GFADRO CN(C)c1ncc(Br)cc1C(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000113012418 655201566 /nfs/dbraw/zinc/20/15/66/655201566.db2.gz LBPGVBXOCFWJEA-INIZCTEOSA-N 1 0 391.313 2.943 20 0 GFADRO COC(=O)c1ccc(C[N@H+](C)C[C@@H](O)c2ccc(Br)cc2)nc1 ZINC000839681780 661099636 /nfs/dbraw/zinc/09/96/36/661099636.db2.gz VEFGKFXEIXWTSE-MRXNPFEDSA-N 1 0 379.254 2.796 20 0 GFADRO C[C@@](O)(CNC(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)C(F)(F)F ZINC000274926021 655207387 /nfs/dbraw/zinc/20/73/87/655207387.db2.gz KFVUNAMPGLJRML-SWLSCSKDSA-N 1 0 379.448 2.573 20 0 GFADRO CCS(=O)(=O)C[C@H](C)[NH2+]Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000113350611 655208196 /nfs/dbraw/zinc/20/81/96/655208196.db2.gz ORNAEHGRINKGCB-LBPRGKRZSA-N 1 0 375.416 2.804 20 0 GFADRO O=S(=O)(C1CCOCC1)N1CCC([NH2+]Cc2cc(F)cc(Cl)c2)CC1 ZINC000274961321 655209199 /nfs/dbraw/zinc/20/91/99/655209199.db2.gz GOTZSWVRSJUDKF-UHFFFAOYSA-N 1 0 390.908 2.542 20 0 GFADRO CCOC[C@H](O)C[NH+]1CCN([C@@H](CC)c2ccc(Br)cc2)CC1 ZINC000113502591 655211312 /nfs/dbraw/zinc/21/13/12/655211312.db2.gz IDRFLLCVZIBOIR-MSOLQXFVSA-N 1 0 385.346 2.915 20 0 GFADRO CS[C@@H]1CN(C[C@@H](O)c2cccc(Br)c2)C[C@H]1[NH+]1CCCC1 ZINC000275093223 655216426 /nfs/dbraw/zinc/21/64/26/655216426.db2.gz PKZSFXWYVDABFI-BRWVUGGUSA-N 1 0 385.371 2.994 20 0 GFADRO Cc1c(Br)cccc1S(=O)(=O)N(C)CC1CC[NH+](C)CC1 ZINC000175270609 655217303 /nfs/dbraw/zinc/21/73/03/655217303.db2.gz BPPHIRROUFCOJQ-UHFFFAOYSA-N 1 0 375.332 2.720 20 0 GFADRO O=C(CC[N@H+]1CC[C@H](C(=O)NCC(F)(F)F)C1)Nc1cccc(Cl)c1 ZINC000275109679 655217342 /nfs/dbraw/zinc/21/73/42/655217342.db2.gz MWZNGSXKFYORSQ-NSHDSACASA-N 1 0 377.794 2.669 20 0 GFADRO O=C(CC[N@H+]1CC[C@@H](C(=O)NCC(F)(F)F)C1)Nc1cccc(Cl)c1 ZINC000275109676 655217519 /nfs/dbraw/zinc/21/75/19/655217519.db2.gz MWZNGSXKFYORSQ-LLVKDONJSA-N 1 0 377.794 2.669 20 0 GFADRO CC[N@@H+]1CCCC[C@@H]1CNS(=O)(=O)c1cc(OC)ccc1Br ZINC000175281222 655217778 /nfs/dbraw/zinc/21/77/78/655217778.db2.gz SLGVHEWWQFFNRC-GFCCVEGCSA-N 1 0 391.331 2.610 20 0 GFADRO C[NH+](C)C[C@@H]1CCN(S(=O)(=O)c2ccc(Br)cc2Cl)C1 ZINC000114210747 655218504 /nfs/dbraw/zinc/21/85/04/655218504.db2.gz NLNZAYCYLBHQFS-JTQLQIEISA-N 1 0 381.723 2.675 20 0 GFADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)c2sc(C)cc2OC(F)F)CC1 ZINC000114380385 655223043 /nfs/dbraw/zinc/22/30/43/655223043.db2.gz PYOCONUGMWWIBF-LBPRGKRZSA-N 1 0 375.485 2.661 20 0 GFADRO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NCc1ccc(F)cc1Br ZINC000175627979 655224196 /nfs/dbraw/zinc/22/41/96/655224196.db2.gz WZGVLWRCKYOSEI-INIZCTEOSA-N 1 0 387.293 2.998 20 0 GFADRO CCC[N@@H+]1CCCN(CC(=O)N(C)Cc2cc(Br)cs2)CC1 ZINC000114463251 655224626 /nfs/dbraw/zinc/22/46/26/655224626.db2.gz VSEOYHKQCGXHFN-UHFFFAOYSA-N 1 0 388.375 2.887 20 0 GFADRO C[C@H]1C[C@H](N(C)CCS(=O)(=O)c2cccc(Br)c2)CC[N@@H+]1C ZINC000175716609 655225741 /nfs/dbraw/zinc/22/57/41/655225741.db2.gz VYPZPPQSTZDQPI-DZGCQCFKSA-N 1 0 389.359 2.637 20 0 GFADRO C[C@@H]1C[C@H](N(C)CCS(=O)(=O)c2cccc(Br)c2)CC[N@@H+]1C ZINC000175716592 655225852 /nfs/dbraw/zinc/22/58/52/655225852.db2.gz VYPZPPQSTZDQPI-UKRRQHHQSA-N 1 0 389.359 2.637 20 0 GFADRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2cncc(Br)c2)[C@H](C)C1 ZINC000115274191 655233701 /nfs/dbraw/zinc/23/37/01/655233701.db2.gz LSHVTEWDXHWOTK-CZUORRHYSA-N 1 0 384.318 2.711 20 0 GFADRO O=C(Nc1c(F)cccc1Br)C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000176077938 655234405 /nfs/dbraw/zinc/23/44/05/655234405.db2.gz UTBASZAHGOFHQI-UHFFFAOYSA-N 1 0 398.276 2.614 20 0 GFADRO C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000115432719 655237278 /nfs/dbraw/zinc/23/72/78/655237278.db2.gz LLOAEMKTGTZSSZ-OLZOCXBDSA-N 1 0 386.323 2.912 20 0 GFADRO Cc1cc(CCC(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)ccc1Br ZINC000176180405 655238662 /nfs/dbraw/zinc/23/86/62/655238662.db2.gz VXNLJSDXGQVHTE-KRWDZBQOSA-N 1 0 395.341 2.871 20 0 GFADRO Cn1cncc1[C@H]1C[C@H]([NH2+]Cc2cnc3ccc(Br)cn23)CCO1 ZINC000275620703 655244260 /nfs/dbraw/zinc/24/42/60/655244260.db2.gz ROIGYDIGYZWJHG-CZUORRHYSA-N 1 0 390.285 2.840 20 0 GFADRO CCN(C[C@@H]1CC[N@H+](CC(=O)N(C)Cc2cccs2)C1)CC(F)(F)F ZINC000176409903 655244398 /nfs/dbraw/zinc/24/43/98/655244398.db2.gz WECCUZDRXRWOKQ-AWEZNQCLSA-N 1 0 377.476 2.913 20 0 GFADRO CCN(C[C@@H]1CC[N@@H+]([C@@H](C)C(=O)NCc2cccs2)C1)CC(F)(F)F ZINC000176416330 655244593 /nfs/dbraw/zinc/24/45/93/655244593.db2.gz NQHLRQPILVXFKR-KBPBESRZSA-N 1 0 377.476 2.959 20 0 GFADRO CC[N@@H+]1CCCC[C@H]1CNC(=O)c1cc(=O)[nH]c2c(Br)cccc12 ZINC000176445440 655245690 /nfs/dbraw/zinc/24/56/90/655245690.db2.gz RWOSHNPDDFYJBF-LBPRGKRZSA-N 1 0 392.297 2.895 20 0 GFADRO Cc1sc(Br)nc1C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000839745726 661104281 /nfs/dbraw/zinc/10/42/81/661104281.db2.gz DBZCRBIJFZIHCE-UHFFFAOYSA-N 1 0 384.303 2.930 20 0 GFADRO Cc1csc([C@@](O)(CC(=O)N(C)CC2([NH+](C)C)CCC2)C(F)(F)F)n1 ZINC000275871217 655254261 /nfs/dbraw/zinc/25/42/61/655254261.db2.gz NFPJCGCZTQLFHE-HNNXBMFYSA-N 1 0 379.448 2.534 20 0 GFADRO COCCOC1CC[NH+](CC(=O)NCCc2cccc(Cl)c2Cl)CC1 ZINC000116885417 655255386 /nfs/dbraw/zinc/25/53/86/655255386.db2.gz AOPROQBSKKRNTB-UHFFFAOYSA-N 1 0 389.323 2.780 20 0 GFADRO C[N@H+](CCO)C1CCN(C(=O)Nc2cc(Br)c(F)cc2F)CC1 ZINC000276057848 655260558 /nfs/dbraw/zinc/26/05/58/655260558.db2.gz JTLVVDRDJLWFDP-UHFFFAOYSA-N 1 0 392.244 2.648 20 0 GFADRO CCOCC[N@@H+]1CCN(C(=O)Nc2ccncc2Br)C[C@@H]1CC ZINC000276115831 655263104 /nfs/dbraw/zinc/26/31/04/655263104.db2.gz MKOSDJXAHYMQNA-ZDUSSCGKSA-N 1 0 385.306 2.809 20 0 GFADRO COc1c(Cl)cc(NC(=O)C(=O)N(C)[C@H]2CC[N@H+](C)C[C@@H]2C)cc1Cl ZINC000276139287 655264228 /nfs/dbraw/zinc/26/42/28/655264228.db2.gz UKSAUOGCPNHBFR-HZMBPMFUSA-N 1 0 388.295 2.739 20 0 GFADRO CC[NH+](CC)CCNC(=O)c1nn(-c2ccc(F)cc2)cc1Br ZINC000117741464 655267338 /nfs/dbraw/zinc/26/73/38/655267338.db2.gz PMFLBLONKQFQDQ-UHFFFAOYSA-N 1 0 383.265 2.846 20 0 GFADRO CC[NH+]1CCC(NC(=O)c2nn(-c3ccc(F)cc3)cc2Br)CC1 ZINC000117746344 655267705 /nfs/dbraw/zinc/26/77/05/655267705.db2.gz CESWPAAOLZYIRA-UHFFFAOYSA-N 1 0 395.276 2.988 20 0 GFADRO CC[N@H+](CCNC(=O)c1nn(-c2ccc(F)cc2)cc1Br)C1CC1 ZINC000117786819 655267904 /nfs/dbraw/zinc/26/79/04/655267904.db2.gz AAJNNNYQMZGKBP-UHFFFAOYSA-N 1 0 395.276 2.988 20 0 GFADRO C[NH+](C)C[C@@H]1CCN(S(=O)(=O)c2cc(Br)ccc2Cl)C1 ZINC000117923652 655269790 /nfs/dbraw/zinc/26/97/90/655269790.db2.gz YVNNQBMCXYHMCL-JTQLQIEISA-N 1 0 381.723 2.675 20 0 GFADRO CC[N@H+](C)CCNC(=O)C(=O)Nc1ccc(Sc2nc(C)cs2)cc1 ZINC000118108213 655271890 /nfs/dbraw/zinc/27/18/90/655271890.db2.gz NNJZBOVZFACTAI-UHFFFAOYSA-N 1 0 378.523 2.609 20 0 GFADRO CCS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC(CC[NH+](C)C)CC2)c1 ZINC000118342370 655275008 /nfs/dbraw/zinc/27/50/08/655275008.db2.gz VXKJHWDBWXGKBC-UHFFFAOYSA-N 1 0 386.945 2.938 20 0 GFADRO CCN(CCC[NH+]1CCCC1)C(=O)c1cc(I)c[nH]1 ZINC000276424952 655275334 /nfs/dbraw/zinc/27/53/34/655275334.db2.gz JPCWAXXHTOOIHH-UHFFFAOYSA-N 1 0 375.254 2.567 20 0 GFADRO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CCCO[C@@H]1CCOC1 ZINC000119030840 655287240 /nfs/dbraw/zinc/28/72/40/655287240.db2.gz OQAKCXRRIHZQSZ-CZUORRHYSA-N 1 0 385.302 2.951 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH2+]CCc1nnc[nH]1 ZINC000119044530 655287765 /nfs/dbraw/zinc/28/77/65/655287765.db2.gz NEWVHUYFWSWKFI-UHFFFAOYSA-N 1 0 375.274 2.702 20 0 GFADRO COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000276865962 655290834 /nfs/dbraw/zinc/29/08/34/655290834.db2.gz XSFOWEYCCKVSGA-TZMCWYRMSA-N 1 0 386.279 2.684 20 0 GFADRO CC(C)S(=O)(=O)CCC[NH2+][C@@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000276923255 655293374 /nfs/dbraw/zinc/29/33/74/655293374.db2.gz LHQQERATFUQHPD-NVXWUHKLSA-N 1 0 390.908 2.554 20 0 GFADRO C[C@@H]([NH2+]C[C@H]1CCn2ncc(C(N)=O)c2C1)c1ccc(Br)s1 ZINC000276942973 655294492 /nfs/dbraw/zinc/29/44/92/655294492.db2.gz NQYOKMCAFYPNSX-ZJUUUORDSA-N 1 0 383.315 2.719 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000178005943 655295087 /nfs/dbraw/zinc/29/50/87/655295087.db2.gz ZXYYPMRMPBZRGM-ZIAGYGMSSA-N 1 0 382.302 2.685 20 0 GFADRO C[C@H]([NH2+]Cc1ccccc1CS(=O)(=O)N1CCOCC1)c1ccsc1 ZINC000178010985 655295383 /nfs/dbraw/zinc/29/53/83/655295383.db2.gz BOUWEIKJLLWWRQ-HNNXBMFYSA-N 1 0 380.535 2.761 20 0 GFADRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)CNC(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000119297663 655297375 /nfs/dbraw/zinc/29/73/75/655297375.db2.gz UVGASICDCHKMSZ-ZDUSSCGKSA-N 1 0 386.323 2.817 20 0 GFADRO O=S(=O)(N1CCC(C[NH2+][C@@H]2CCc3ccccc3C2)CC1)C(F)(F)F ZINC000178107286 655297843 /nfs/dbraw/zinc/29/78/43/655297843.db2.gz WBIUVAVCUUCPMD-MRXNPFEDSA-N 1 0 376.444 2.695 20 0 GFADRO C[NH+](C)Cc1ccc(C(=O)NCc2ccc(S(C)(=O)=O)c(Cl)c2)cc1 ZINC000277035503 655299690 /nfs/dbraw/zinc/29/96/90/655299690.db2.gz FWBSLZCSGSADPG-UHFFFAOYSA-N 1 0 380.897 2.735 20 0 GFADRO COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)N1CCC[C@@H]([NH+](C)C)CC1 ZINC000277050153 655300335 /nfs/dbraw/zinc/30/03/35/655300335.db2.gz FXYPHFXWLRSOTM-LLVKDONJSA-N 1 0 388.295 2.883 20 0 GFADRO CN(C(=O)c1cc(F)c(F)cc1I)[C@H]1CCC[N@H+](C)C1 ZINC000119383601 655301984 /nfs/dbraw/zinc/30/19/84/655301984.db2.gz CSNIJFXVVVPUQB-VIFPVBQESA-N 1 0 394.203 2.736 20 0 GFADRO O=C(NCc1ccc(O)c(Br)c1)NC1CC[NH+](CC2CC2)CC1 ZINC000178533324 655304353 /nfs/dbraw/zinc/30/43/53/655304353.db2.gz AXMTUSGJANSOMW-UHFFFAOYSA-N 1 0 382.302 2.828 20 0 GFADRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2n[nH]c3ccc(Br)cc32)C1 ZINC000178535548 655304378 /nfs/dbraw/zinc/30/43/78/655304378.db2.gz SZHLETBOMHWLGI-ABAIWWIYSA-N 1 0 377.286 2.882 20 0 GFADRO [NH3+]C[C@@H]1CCN(C(=O)Cc2csc(-c3cccc(Br)c3)n2)C1 ZINC000178578919 655304992 /nfs/dbraw/zinc/30/49/92/655304992.db2.gz RSQCCUIIACEXBY-NSHDSACASA-N 1 0 380.311 2.922 20 0 GFADRO C[C@@H]([NH2+]CCc1ccc(S(N)(=O)=O)cc1)c1cccc(Br)c1 ZINC000119681649 655310847 /nfs/dbraw/zinc/31/08/47/655310847.db2.gz CNGYAOMRERLXHE-GFCCVEGCSA-N 1 0 383.311 2.990 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(C)c(Br)c2)[C@H](C)C1 ZINC000119737639 655313103 /nfs/dbraw/zinc/31/31/03/655313103.db2.gz QCXLWNOVPDVTBX-CJNGLKHVSA-N 1 0 396.329 2.885 20 0 GFADRO CCOC1CC(O)(C[NH2+]Cc2ncc(Br)cc2Br)C1 ZINC000277468453 655321176 /nfs/dbraw/zinc/32/11/76/655321176.db2.gz BYFQRGIOOGZQOC-UHFFFAOYSA-N 1 0 394.107 2.626 20 0 GFADRO CC[NH+](CC)CCCNC(=O)C[C@@H](NC(C)=O)c1ccc(Br)cc1 ZINC000119774595 655314827 /nfs/dbraw/zinc/31/48/27/655314827.db2.gz XIIPAFGWBARIBE-QGZVFWFLSA-N 1 0 398.345 2.865 20 0 GFADRO CC(=O)N(C)C1CC[NH+](C[C@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000119810016 655316370 /nfs/dbraw/zinc/31/63/70/655316370.db2.gz SDJNWTUVLKORBM-HNNXBMFYSA-N 1 0 375.296 2.676 20 0 GFADRO C[C@@H]1COCC[C@@H]1[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000277404139 655317410 /nfs/dbraw/zinc/31/74/10/655317410.db2.gz JFURUYSHFWMLEH-QKCSRTOESA-N 1 0 378.694 2.857 20 0 GFADRO CC(=O)N(C)C1CC[NH+](C[C@@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000119861303 655318701 /nfs/dbraw/zinc/31/87/01/655318701.db2.gz SJPBQXWFUKWLIK-CQSZACIVSA-N 1 0 375.296 2.676 20 0 GFADRO C[C@H](CC(=O)N(C)C)[NH2+][C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000119905383 655320693 /nfs/dbraw/zinc/32/06/93/655320693.db2.gz PCPDATGTYVNPAR-ZYHUDNBSSA-N 1 0 378.826 2.789 20 0 GFADRO CC[NH+](CC)[C@@H]1CCN(S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2Cl)C1 ZINC000180051465 655321433 /nfs/dbraw/zinc/32/14/33/655321433.db2.gz GKEOVJCCCGSDQD-GFCCVEGCSA-N 1 0 375.878 2.661 20 0 GFADRO C[C@@H]([NH2+]C[C@H](O)c1cc2ccccc2s1)c1ccc(S(N)(=O)=O)cc1 ZINC000180152448 655322867 /nfs/dbraw/zinc/32/28/67/655322867.db2.gz CWTPCSUBXHAEBS-WBMJQRKESA-N 1 0 376.503 2.933 20 0 GFADRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)NC2CCC(C[NH+](C)C)CC2)c1 ZINC000180192806 655323559 /nfs/dbraw/zinc/32/35/59/655323559.db2.gz SFSWJJVZEKXAGZ-UHFFFAOYSA-N 1 0 389.905 2.955 20 0 GFADRO CCOCC[C@H](O)C[NH+]1CCC(C(=O)Nc2cccc(Br)c2)CC1 ZINC000277513396 655323892 /nfs/dbraw/zinc/32/38/92/655323892.db2.gz NHWNZGYMOQIKJQ-KRWDZBQOSA-N 1 0 399.329 2.887 20 0 GFADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)Nc1cccc(Br)n1 ZINC000278906640 655326745 /nfs/dbraw/zinc/32/67/45/655326745.db2.gz SFPGWDOORAXDDD-GFCCVEGCSA-N 1 0 383.290 2.561 20 0 GFADRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)NCCCCn2cc(Br)cn2)C1 ZINC000279423584 655327820 /nfs/dbraw/zinc/32/78/20/655327820.db2.gz CYKKOPGPNKNLRO-CABCVRRESA-N 1 0 386.338 2.598 20 0 GFADRO COc1ccc([C@H](C)[NH2+]CC(=O)N[C@@H](C(C)=O)C(C)C)cc1Br ZINC000120155551 655329531 /nfs/dbraw/zinc/32/95/31/655329531.db2.gz WGWDXLVQJKWWQZ-APPDUMDISA-N 1 0 385.302 2.838 20 0 GFADRO O=C(c1cccnc1Br)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000180745552 655329852 /nfs/dbraw/zinc/32/98/52/655329852.db2.gz CMVAIBGMAITBPV-UHFFFAOYSA-N 1 0 396.329 2.809 20 0 GFADRO C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)NCC[S@](=O)C(C)(C)C ZINC000120197044 655330859 /nfs/dbraw/zinc/33/08/59/655330859.db2.gz IHXWKRAERIAMME-RUZDIDTESA-N 1 0 387.977 2.960 20 0 GFADRO O=S(=O)(CC[NH2+]Cc1ccc(SC(F)F)cc1)NC[C@@H]1CCCCO1 ZINC000180938480 655331521 /nfs/dbraw/zinc/33/15/21/655331521.db2.gz DBXPBVVNCMJJAY-AWEZNQCLSA-N 1 0 394.509 2.579 20 0 GFADRO C[C@H]([NH2+]C1Cc2ccccc2C1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000281028330 655331975 /nfs/dbraw/zinc/33/19/75/655331975.db2.gz FSECRXNTKNRELB-NSHDSACASA-N 1 0 395.322 2.915 20 0 GFADRO C[C@H](C[NH2+]CC1=Cc2cc(Br)ccc2OC1)CN1CCOCC1 ZINC000120277001 655333734 /nfs/dbraw/zinc/33/37/34/655333734.db2.gz BHSOZUPMMJPIDK-CQSZACIVSA-N 1 0 381.314 2.783 20 0 GFADRO C[C@H]1C[C@H](N(C)S(=O)(=O)c2cccc(Br)c2F)CC[N@@H+]1C ZINC000281783143 655337055 /nfs/dbraw/zinc/33/70/55/655337055.db2.gz GSSRRSNDJBWWNV-WDEREUQCSA-N 1 0 379.295 2.691 20 0 GFADRO C[C@H]1C[C@H](NC(=O)c2ccc(F)c(I)c2)C[N@@H+]1C1CC1 ZINC000120557267 655338972 /nfs/dbraw/zinc/33/89/72/655338972.db2.gz TUKVCRFXRWZXNH-ONGXEEELSA-N 1 0 388.224 2.785 20 0 GFADRO CN(C[C@@H]1CCC[N@H+](C)C1)S(=O)(=O)Cc1ccc(Br)cc1 ZINC000120643075 655341092 /nfs/dbraw/zinc/34/10/92/655341092.db2.gz ORQFMRULJNPOPM-CQSZACIVSA-N 1 0 375.332 2.553 20 0 GFADRO O[C@@H](COc1ccc(Br)cc1)CN1CCC[C@H]([NH+]2CCCC2)C1 ZINC000120688624 655342458 /nfs/dbraw/zinc/34/24/58/655342458.db2.gz KNIURGFVNRHWOO-DLBZAZTESA-N 1 0 383.330 2.749 20 0 GFADRO C[C@@H](O)c1ncc(C[NH2+]C[C@@H](O)COc2cccc(C(F)(F)F)c2)s1 ZINC000289274472 655345233 /nfs/dbraw/zinc/34/52/33/655345233.db2.gz NVVIGUBSTJTESX-ZYHUDNBSSA-N 1 0 376.400 2.745 20 0 GFADRO CC[C@@H](Cc1cccc(Br)c1)C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000289291285 655345565 /nfs/dbraw/zinc/34/55/65/655345565.db2.gz RDYDIHVCEBXQQJ-WMZOPIPTSA-N 1 0 394.357 2.524 20 0 GFADRO Cc1nn(-c2ccc(F)cc2)c(Cl)c1C[NH2+]CC1CCS(=O)(=O)CC1 ZINC000120895849 655346202 /nfs/dbraw/zinc/34/62/02/655346202.db2.gz RZLRYRQGHPMNLJ-UHFFFAOYSA-N 1 0 385.892 2.888 20 0 GFADRO CCCS(=O)(=O)CC[NH2+][C@]1(CNC(=O)OC(C)(C)C)CCCC[C@H]1C ZINC000121273115 655348996 /nfs/dbraw/zinc/34/89/96/655348996.db2.gz LFPNBZUPEBCRLM-QAPCUYQASA-N 1 0 376.563 2.874 20 0 GFADRO CC(C)[C@H]1C[N@H+](C)CCN1Cn1nc2ccc(Br)cn2c1=S ZINC000840005353 661123897 /nfs/dbraw/zinc/12/38/97/661123897.db2.gz BYKLPFZZMATAHH-CYBMUJFWSA-N 1 0 384.347 2.857 20 0 GFADRO CSCC[C@@H]1NC(=S)N([C@@H](C[N@H+](C)Cc2ccccc2)C(C)C)C1=O ZINC000183884313 655354317 /nfs/dbraw/zinc/35/43/17/655354317.db2.gz JDVAGXWDJWKBTK-IRXDYDNUSA-N 1 0 379.595 2.981 20 0 GFADRO CC(=O)c1cc(S(=O)(=O)NCC(C)(C)C[NH+](C)C)ccc1Br ZINC000184095710 655355196 /nfs/dbraw/zinc/35/51/96/655355196.db2.gz KRVPBEHZRZTRNI-UHFFFAOYSA-N 1 0 391.331 2.518 20 0 GFADRO Cc1cc(CC(C)(C)C(=O)NCCN2CC[NH+](C)CC2)ccc1Br ZINC000292852421 655355299 /nfs/dbraw/zinc/35/52/99/655355299.db2.gz WFNKSQHZYBEQPD-UHFFFAOYSA-N 1 0 396.373 2.690 20 0 GFADRO O[C@@H](C[NH2+][C@H]1CCOc2c(Br)cccc21)COCC(F)(F)F ZINC000292911099 655356876 /nfs/dbraw/zinc/35/68/76/655356876.db2.gz KTLYYUPWSDETRF-CABZTGNLSA-N 1 0 384.192 2.802 20 0 GFADRO CC(C)O[C@@H]1C[C@@H]([NH2+]CC2CCN(S(=O)(=O)C(F)(F)F)CC2)C1(C)C ZINC000185224283 655363269 /nfs/dbraw/zinc/36/32/69/655363269.db2.gz JFKAODKPGTVMJT-ZIAGYGMSSA-N 1 0 386.480 2.730 20 0 GFADRO CCOC(=O)N1CC[C@H]([NH2+]Cc2cc(Br)c3c(c2)OCCO3)C1 ZINC000185782197 655366313 /nfs/dbraw/zinc/36/63/13/655366313.db2.gz PZTIBSAWQGOPDX-LBPRGKRZSA-N 1 0 385.258 2.541 20 0 GFADRO CCS(=O)(=O)c1ccc(Cl)c(C(=O)NCC2(C[NH+](C)C)CCCC2)c1 ZINC000186197794 655368348 /nfs/dbraw/zinc/36/83/48/655368348.db2.gz RZCKYHHSCMCEEY-UHFFFAOYSA-N 1 0 386.945 2.985 20 0 GFADRO COc1cc(I)ccc1NC(=O)NC1CC[NH+](C)CC1 ZINC000297400159 655370274 /nfs/dbraw/zinc/37/02/74/655370274.db2.gz MLIUATAWOLKTCW-UHFFFAOYSA-N 1 0 389.237 2.516 20 0 GFADRO O=C(NCCc1cccc(Br)c1)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC000297406197 655370567 /nfs/dbraw/zinc/37/05/67/655370567.db2.gz OWAHSUPTQQMSLL-KRWDZBQOSA-N 1 0 381.314 2.751 20 0 GFADRO C[N@@H+]1CCC[C@]2(CCN(C(=O)NCCc3nc(C(F)(F)F)cs3)C2)C1 ZINC000297998195 655371726 /nfs/dbraw/zinc/37/17/26/655371726.db2.gz PNLYFWQRMWGJFU-HNNXBMFYSA-N 1 0 376.448 2.832 20 0 GFADRO Cn1ccnc1[C@@](O)(C[NH2+]Cc1ccc(F)c(Br)c1)C(F)(F)F ZINC000299364537 655374884 /nfs/dbraw/zinc/37/48/84/655374884.db2.gz WJOKPCNYHJTBTO-ZDUSSCGKSA-N 1 0 396.182 2.861 20 0 GFADRO NS(=O)(=O)c1cc(C(=O)Nc2cccc(C[NH+]3CCCCC3)c2)cs1 ZINC000299477931 655376604 /nfs/dbraw/zinc/37/66/04/655376604.db2.gz JDBXURQZDGQCBD-UHFFFAOYSA-N 1 0 379.507 2.634 20 0 GFADRO Cc1ccc(I)c(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)c1 ZINC000299626533 655377454 /nfs/dbraw/zinc/37/74/54/655377454.db2.gz FVDPUQIFWSLVGD-GJZGRUSLSA-N 1 0 384.261 2.956 20 0 GFADRO CCN(CCC[NH+](C)C)C(=O)/C=C/c1cc(Br)c(O)c(OC)c1 ZINC000188918627 655382867 /nfs/dbraw/zinc/38/28/67/655382867.db2.gz LAAVPYLIVDHHFS-BQYQJAHWSA-N 1 0 385.302 2.977 20 0 GFADRO O=C(NC[C@@H]1CCCN(Cc2cccc(F)c2Br)C1)[C@@H]1CCC[NH2+]1 ZINC000325233172 655384528 /nfs/dbraw/zinc/38/45/28/655384528.db2.gz FONHCNXMFBPLTE-BBRMVZONSA-N 1 0 398.320 2.668 20 0 GFADRO O=c1c(Br)nn(C[N@@H+]2CCC[C@]3(CCOC3)C2)c2ccccc12 ZINC000840142415 661140092 /nfs/dbraw/zinc/14/00/92/661140092.db2.gz FFMSGEATNRXPFE-KRWDZBQOSA-N 1 0 378.270 2.619 20 0 GFADRO O=C1N[C@H](c2ccc(Br)cc2)C(=O)N1[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000349377713 655389825 /nfs/dbraw/zinc/38/98/25/655389825.db2.gz VOYUDKBQLPPLQF-QLFBSQMISA-N 1 0 378.270 2.669 20 0 GFADRO CCCC[N@H+](C)CCN1C(=O)N[C@@H](c2ccc(OC)c(Br)c2)C1=O ZINC000349393881 655390131 /nfs/dbraw/zinc/39/01/31/655390131.db2.gz UTHLDGQAHIDIFP-HNNXBMFYSA-N 1 0 398.301 2.783 20 0 GFADRO O=C(CCNc1ncc(C(F)(F)F)cc1Cl)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000365241101 655392624 /nfs/dbraw/zinc/39/26/24/655392624.db2.gz AIIJZZZSIPTZLV-ZWNOBZJWSA-N 1 0 376.810 2.766 20 0 GFADRO C[N@@H+]1CC[C@H](CSc2nnc(COc3c(Cl)cccc3Cl)n2N)C1 ZINC000191042496 655396703 /nfs/dbraw/zinc/39/67/03/655396703.db2.gz PEXUYRAFLHCMGH-JTQLQIEISA-N 1 0 388.324 2.922 20 0 GFADRO CN1CC[C@H]([NH2+]C[C@H](O)COCC(F)(F)F)[C@H]1c1ccc(Cl)c(F)c1 ZINC000366589539 655400273 /nfs/dbraw/zinc/40/02/73/655400273.db2.gz FPNJRRIOJGGHDB-TUKIKUTGSA-N 1 0 384.801 2.754 20 0 GFADRO COC(=O)CC[N@H+](Cc1cc(C#N)ccc1Br)C1CCOCC1 ZINC000191801995 655400570 /nfs/dbraw/zinc/40/05/70/655400570.db2.gz PFWABJWRXRJNDW-UHFFFAOYSA-N 1 0 381.270 2.865 20 0 GFADRO CC[N@H+](C)C[C@@H]1CCN(Cn2c(=O)oc3cc(F)c(Br)cc32)C1 ZINC000192161058 655403102 /nfs/dbraw/zinc/40/31/02/655403102.db2.gz WIBWTFZCZMGULG-NSHDSACASA-N 1 0 386.265 2.727 20 0 GFADRO CCOc1ccc(Br)cc1CN(C(=O)N[C@H]1CC[NH2+]C1)C1CC1 ZINC000418346722 655405724 /nfs/dbraw/zinc/40/57/24/655405724.db2.gz CNJSEJOOQXYEOR-AWEZNQCLSA-N 1 0 382.302 2.884 20 0 GFADRO O=C(NCCC[NH+]1CCCCC1)Nc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000192676546 655406538 /nfs/dbraw/zinc/40/65/38/655406538.db2.gz YFEXKRYSHHIDBW-UHFFFAOYSA-N 1 0 375.441 2.680 20 0 GFADRO C[C@H](NC(=O)N1C[C@H](C)[N@H+](CCO)C[C@H]1C)c1ccc(Br)s1 ZINC000419496032 655406858 /nfs/dbraw/zinc/40/68/58/655406858.db2.gz SWSCJIRVQWSGLB-TUAOUCFPSA-N 1 0 390.347 2.668 20 0 GFADRO COc1cc(/C=C/C(=O)N2CC[NH+](CC(C)C)CC2)cc(Br)c1O ZINC000193200112 655408756 /nfs/dbraw/zinc/40/87/56/655408756.db2.gz DTRHHTVYKQOXKZ-SNAWJCMRSA-N 1 0 397.313 2.977 20 0 GFADRO CCOC(=O)COc1c(Br)cc(C)cc1C[NH2+][C@H](CC)[C@@H](C)O ZINC000449546750 655410098 /nfs/dbraw/zinc/41/00/98/655410098.db2.gz WICRBJLILRXAJG-IUODEOHRSA-N 1 0 388.302 2.948 20 0 GFADRO COc1cc(C[NH2+][C@@H](C)C2(S(C)(=O)=O)CC2)ccc1OCC(F)(F)F ZINC000512895753 655418022 /nfs/dbraw/zinc/41/80/22/655418022.db2.gz QWFDISBMJZGQJG-NSHDSACASA-N 1 0 381.416 2.692 20 0 GFADRO O[C@@H](COc1cc(F)cc(Br)c1)C[N@@H+]1CC[C@@H](O)CC12CCC2 ZINC000517913017 655419047 /nfs/dbraw/zinc/41/90/47/655419047.db2.gz VRSXZQNXGRGEOG-HUUCEWRRSA-N 1 0 388.277 2.707 20 0 GFADRO O[C@@H](COc1cc(F)cc(Br)c1)C[N@@H+]1CC[C@H](O)CC12CCC2 ZINC000517913018 655419113 /nfs/dbraw/zinc/41/91/13/655419113.db2.gz VRSXZQNXGRGEOG-LSDHHAIUSA-N 1 0 388.277 2.707 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)c3ccc(-n4cc(Br)cn4)cc3)C[C@H]21 ZINC000517922069 655419210 /nfs/dbraw/zinc/41/92/10/655419210.db2.gz DTJKZWAFDWPTBZ-KBRIMQKVSA-N 1 0 389.297 2.834 20 0 GFADRO COC[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc(I)c1)C(C)C ZINC000541596143 655421301 /nfs/dbraw/zinc/42/13/01/655421301.db2.gz ITRBXTPQWRTQRU-SMDDNHRTSA-N 1 0 390.265 2.879 20 0 GFADRO CCS(=O)(=O)CC[NH2+]Cc1cc(Br)c(Br)s1 ZINC000233825697 655424277 /nfs/dbraw/zinc/42/42/77/655424277.db2.gz DIOMEKSTMPGLKZ-UHFFFAOYSA-N 1 0 391.150 2.797 20 0 GFADRO C[C@H]1CN(C(=O)NCCNc2ncc(C(F)(F)F)cc2Cl)CC[C@@H]1[NH3+] ZINC000566057832 655424396 /nfs/dbraw/zinc/42/43/96/655424396.db2.gz ZHHDDOIKVYFMPG-CABZTGNLSA-N 1 0 379.814 2.544 20 0 GFADRO COc1ccc(Br)cc1C(=O)CCC(=O)NC[C@H]1CCC[NH2+]C1 ZINC000237111022 655425713 /nfs/dbraw/zinc/42/57/13/655425713.db2.gz CWIATMFTZSKTGK-LBPRGKRZSA-N 1 0 383.286 2.536 20 0 GFADRO COC(=O)c1cc(S(=O)(=O)N2CCC[C@@H](C)[C@@H]2C[NH3+])c(Cl)cc1Cl ZINC000237192851 655425853 /nfs/dbraw/zinc/42/58/53/655425853.db2.gz ZMEXTUIBXHSWMO-RNCFNFMXSA-N 1 0 395.308 2.528 20 0 GFADRO [NH3+]C1(C(=O)N2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)CCCCC1 ZINC000237890115 655426731 /nfs/dbraw/zinc/42/67/31/655426731.db2.gz KMMURWNTOIABEO-UHFFFAOYSA-N 1 0 384.307 2.939 20 0 GFADRO Cc1cc(NC(=O)C(=O)NC[C@@H](C)[NH+]2CCCC2)cc(C)c1Br ZINC000574266475 655427546 /nfs/dbraw/zinc/42/75/46/655427546.db2.gz USBPCFJQFAMPFN-CYBMUJFWSA-N 1 0 382.302 2.605 20 0 GFADRO O=C([C@@H](c1ccc(Br)cc1)N1CCCC1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000574274199 655427722 /nfs/dbraw/zinc/42/77/22/655427722.db2.gz NYBZOQMQCSMHHK-MJGOQNOKSA-N 1 0 392.341 2.798 20 0 GFADRO CC(C)CN(Cc1ccccc1Br)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000574787233 655430777 /nfs/dbraw/zinc/43/07/77/655430777.db2.gz RKBFJSLUTQHDQN-MRXNPFEDSA-N 1 0 398.345 2.995 20 0 GFADRO O[C@H](C[NH2+]CC[C@@H]1CCOC1)COc1ccc(Cl)cc1Br ZINC000575054104 655434723 /nfs/dbraw/zinc/43/47/23/655434723.db2.gz LUHZXNJGBJTUET-DGCLKSJQSA-N 1 0 378.694 2.858 20 0 GFADRO CCC[C@@H]1C[NH2+]CCN1Cc1nc(Cc2cccc(Br)c2)no1 ZINC000575181582 655436949 /nfs/dbraw/zinc/43/69/49/655436949.db2.gz NYBBHKDOMVFECM-OAHLLOKOSA-N 1 0 379.302 2.997 20 0 GFADRO CC[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000575799798 655437348 /nfs/dbraw/zinc/43/73/48/655437348.db2.gz VDHFTFPFONDDDH-CVEARBPZSA-N 1 0 384.307 2.666 20 0 GFADRO CC[C@H]1[NH2+]CC[C@H]1C(=O)N1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000575799800 655437359 /nfs/dbraw/zinc/43/73/59/655437359.db2.gz VDHFTFPFONDDDH-HZPDHXFCSA-N 1 0 384.307 2.666 20 0 GFADRO CCn1cc([C@@H]2NC(=O)CC[C@H]2[NH2+][C@H](C)c2ccc(Br)cn2)cn1 ZINC000575924037 655440146 /nfs/dbraw/zinc/44/01/46/655440146.db2.gz TYEFHQZNRCYRQX-JGFGOQIWSA-N 1 0 392.301 2.731 20 0 GFADRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)/C=C\c1ccc(I)o1 ZINC000255726407 655440362 /nfs/dbraw/zinc/44/03/62/655440362.db2.gz JKJQUYWKFWTWSB-XYLWRLHESA-N 1 0 388.249 2.698 20 0 GFADRO O=C(CN1CCN([C@H]2CC[NH2+]C2)CC1)Nc1c(Cl)cc(Cl)cc1Cl ZINC000261647010 655441515 /nfs/dbraw/zinc/44/15/15/655441515.db2.gz JDTRANCTTIFQKN-LBPRGKRZSA-N 1 0 391.730 2.565 20 0 GFADRO C[C@H]([NH3+])C[C@H](C)NC(=O)CCC[S@@](=O)c1ccc(Br)cc1 ZINC000576169864 655444959 /nfs/dbraw/zinc/44/49/59/655444959.db2.gz UWXPEFDDHAYKOT-QSRBQVKKSA-N 1 0 375.332 2.579 20 0 GFADRO CC(C)(C[NH3+])NC(=O)c1cc(I)cc(C(F)(F)F)c1 ZINC000262512283 655446071 /nfs/dbraw/zinc/44/60/71/655446071.db2.gz OZAOAGGQUUHOTF-UHFFFAOYSA-N 1 0 386.155 2.777 20 0 GFADRO C[C@H]1C[NH2+]CC[C@@H]1NS(=O)(=O)c1cc(Cl)c(Br)cc1F ZINC000262756972 655447011 /nfs/dbraw/zinc/44/70/11/655447011.db2.gz IEHPPLVCYFSLRQ-CPCISQLKSA-N 1 0 385.686 2.518 20 0 GFADRO Brc1cc2c(s1)CC[C@H]2NCc1nnc(C2CC[NH2+]CC2)[nH]1 ZINC000576628276 655449960 /nfs/dbraw/zinc/44/99/60/655449960.db2.gz SVPKDPGLXPWRGC-LLVKDONJSA-N 1 0 382.331 2.873 20 0 GFADRO Cc1cc(S(=O)(=O)N2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)c(Cl)cc1F ZINC000576733337 655451868 /nfs/dbraw/zinc/45/18/68/655451868.db2.gz QNONPEFSILSNAO-DOTOQJQBSA-N 1 0 390.908 2.695 20 0 GFADRO CCc1nn(C)c(OC)c1C[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Cl ZINC000576864251 655453371 /nfs/dbraw/zinc/45/33/71/655453371.db2.gz QRJQVXHCGJMFAV-GFCCVEGCSA-N 1 0 388.295 2.827 20 0 GFADRO CC[NH+]1C[C@H](C)N(C(=O)c2ccc(I)c(O)c2)[C@@H](C)C1 ZINC000576957733 655455455 /nfs/dbraw/zinc/45/54/55/655455455.db2.gz RLPYJONWEGDBSZ-QWRGUYRKSA-N 1 0 388.249 2.552 20 0 GFADRO OC[C@@H](C[NH2+]C[C@H](O)COc1ccc(Cl)cc1)Cc1ccncc1Cl ZINC000577396600 655458682 /nfs/dbraw/zinc/45/86/82/655458682.db2.gz WEYYCLNRMCZWKM-CJNGLKHVSA-N 1 0 385.291 2.569 20 0 GFADRO CSC1(CNC(=O)Nc2ccc3c(c2)NC(=O)CS3)CC[NH+](C)CC1 ZINC000577563826 655461942 /nfs/dbraw/zinc/46/19/42/655461942.db2.gz FPYIMHWVHRBABJ-UHFFFAOYSA-N 1 0 380.539 2.680 20 0 GFADRO O=S(=O)(CCC[NH2+]C[C@H](O)COc1ccccc1)c1ccc(Cl)cc1 ZINC000577622719 655463239 /nfs/dbraw/zinc/46/32/39/655463239.db2.gz OZDVQFVEMOVTQP-INIZCTEOSA-N 1 0 383.897 2.533 20 0 GFADRO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)CC(=O)N(C)CC(F)(F)F)C2)s1 ZINC000577638871 655463494 /nfs/dbraw/zinc/46/34/94/655463494.db2.gz CVXUEZIOIQFFJG-AWEZNQCLSA-N 1 0 377.476 2.831 20 0 GFADRO C[C@@H]1CCN(Cc2csc(-c3ccc(S(C)(=O)=O)cc3)n2)C[C@@H]1C[NH3+] ZINC000577638195 655463545 /nfs/dbraw/zinc/46/35/45/655463545.db2.gz PSOBRDTZBZUIIA-HIFRSBDPSA-N 1 0 379.551 2.630 20 0 GFADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000264436726 655463670 /nfs/dbraw/zinc/46/36/70/655463670.db2.gz BIONYACTEYXWRA-LZWOXQAQSA-N 1 0 384.307 2.553 20 0 GFADRO CCn1c(=O)c2c(nc1SC[C@H](O)C[N@H+](C)CC)sc1c2CCCC1 ZINC000577650566 655463863 /nfs/dbraw/zinc/46/38/63/655463863.db2.gz YMEGWQWRFIEUGR-GFCCVEGCSA-N 1 0 381.567 2.761 20 0 GFADRO Cc1c2cc(Br)ccc2oc1C(=O)N[C@@H](C)CN1CC[NH+](C)CC1 ZINC000264482822 655464681 /nfs/dbraw/zinc/46/46/81/655464681.db2.gz WPYPGAHIRCVKIQ-LBPRGKRZSA-N 1 0 394.313 2.869 20 0 GFADRO NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)c1[nH]c2ccc(Cl)cc2c1Cl ZINC000264554049 655466007 /nfs/dbraw/zinc/46/60/07/655466007.db2.gz PMARJDZZBIJJGI-CYBMUJFWSA-N 1 0 383.279 2.544 20 0 GFADRO CCOc1cc(C[NH2+][C@@H]2CCN(CCOC)C2)cc(Br)c1OC ZINC000264551595 655466051 /nfs/dbraw/zinc/46/60/51/655466051.db2.gz CXQDXNVYFJKWHP-CQSZACIVSA-N 1 0 387.318 2.667 20 0 GFADRO C[C@@H](CNC(=O)N1CCC(CC[NH3+])CC1)Oc1cccc(Br)c1 ZINC000577759423 655466617 /nfs/dbraw/zinc/46/66/17/655466617.db2.gz GUKXPSGSNUMNJK-ZDUSSCGKSA-N 1 0 384.318 2.987 20 0 GFADRO COCC[N@@H+]1CC[C@H](NC(=O)Nc2c(C)cc(Br)cc2OC)C1 ZINC000264612046 655467211 /nfs/dbraw/zinc/46/72/11/655467211.db2.gz PVEZQXUFNSJXED-ZDUSSCGKSA-N 1 0 386.290 2.608 20 0 GFADRO CCS(=O)(=O)N1CCC(C[NH2+][C@H]2CCc3cc(F)c(F)c(F)c32)CC1 ZINC000577822746 655467821 /nfs/dbraw/zinc/46/78/21/655467821.db2.gz HEDWYHQBRGUAIJ-AWEZNQCLSA-N 1 0 376.444 2.743 20 0 GFADRO C[C@@H]([NH2+][C@@H]1CCCN(S(=O)(=O)N(C)C)C1)c1cccc(Cl)c1Cl ZINC000577903994 655469148 /nfs/dbraw/zinc/46/91/48/655469148.db2.gz ZCROMEVHYMDQQE-VXGBXAGGSA-N 1 0 380.341 2.915 20 0 GFADRO CS(=O)(=O)N[C@H]1CCCC[C@H]1[NH2+]Cc1cc(F)c(C(F)(F)F)cc1F ZINC000578255296 655475073 /nfs/dbraw/zinc/47/50/73/655475073.db2.gz OZDWWSNDUPSKOI-KGLIPLIRSA-N 1 0 386.386 2.934 20 0 GFADRO O=C(COC1CC[NH2+]CC1)Nc1ccnn1Cc1cccc(Cl)c1Cl ZINC000578314000 655476460 /nfs/dbraw/zinc/47/64/60/655476460.db2.gz PHFJGKHGAKYNRZ-UHFFFAOYSA-N 1 0 383.279 2.945 20 0 GFADRO Cc1cc(C(C)(C)[NH2+]CC2(O)CCS(=O)(=O)CC2)ccc1Br ZINC000578403580 655478006 /nfs/dbraw/zinc/47/80/06/655478006.db2.gz LOZMDXKYPRMIOU-UHFFFAOYSA-N 1 0 390.343 2.522 20 0 GFADRO C[C@@H]1CN(C(=O)c2ccc(-n3cc(Br)cn3)cc2)C[C@H](C)[N@H+]1C ZINC000578569721 655481989 /nfs/dbraw/zinc/48/19/89/655481989.db2.gz QQYBLRSNSDVLFP-BETUJISGSA-N 1 0 377.286 2.799 20 0 GFADRO COc1cc2[nH+]ccc(N3CCN(C(=O)N(C)C)CC3)c2cc1Br ZINC000578643546 655483701 /nfs/dbraw/zinc/48/37/01/655483701.db2.gz GVERGUKXUHBCDT-UHFFFAOYSA-N 1 0 393.285 2.810 20 0 GFADRO C[NH2+]C[C@H]1CCN(C(=O)Nc2ccc(I)cc2F)C1 ZINC000578669110 655484310 /nfs/dbraw/zinc/48/43/10/655484310.db2.gz AZFCEXZXJHECOD-SECBINFHSA-N 1 0 377.201 2.504 20 0 GFADRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)c1ccc(-n2cc(Br)cn2)cc1 ZINC000578755969 655486450 /nfs/dbraw/zinc/48/64/50/655486450.db2.gz QLBLBSYCOFAUJT-INIZCTEOSA-N 1 0 377.286 2.801 20 0 GFADRO Cc1cc(S(=O)(=O)NC[C@@]2(C)CCC[NH2+]C2)c(F)cc1Br ZINC000578867113 655488193 /nfs/dbraw/zinc/48/81/93/655488193.db2.gz IRJMSJSLRPLCJH-AWEZNQCLSA-N 1 0 379.295 2.565 20 0 GFADRO [NH3+][C@@H]1CN(S(=O)(=O)C[C@@H]2CCCC2(F)F)CC[C@H]1c1ccc(F)cc1 ZINC000579006088 655491510 /nfs/dbraw/zinc/49/15/10/655491510.db2.gz LBFSMEZLGRHJIW-CWRNSKLLSA-N 1 0 376.444 2.708 20 0 GFADRO C[NH+](C)CCNC(=O)c1cccc(CNc2ccc(Br)cn2)c1 ZINC000265850904 655491948 /nfs/dbraw/zinc/49/19/48/655491948.db2.gz VHDWMXWLWVMDSI-UHFFFAOYSA-N 1 0 377.286 2.748 20 0 GFADRO Ic1cccnc1NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000265862250 655492164 /nfs/dbraw/zinc/49/21/64/655492164.db2.gz SLNAFIFBCMMSDA-GFCCVEGCSA-N 1 0 387.265 2.599 20 0 GFADRO COc1ccc(C[NH2+][C@@H]2CCC[C@@H](S(C)(=O)=O)C2)cc1Br ZINC000265876100 655492423 /nfs/dbraw/zinc/49/24/23/655492423.db2.gz NJOSCDUJGWHTJQ-CHWSQXEVSA-N 1 0 376.316 2.903 20 0 GFADRO Cc1cc(C(C)(C)[NH2+]CCCS(=O)(=O)N(C)C)ccc1Br ZINC000579061775 655492602 /nfs/dbraw/zinc/49/26/02/655492602.db2.gz XCXHZZMSDJHGIT-UHFFFAOYSA-N 1 0 377.348 2.864 20 0 GFADRO Cc1cccc(I)c1C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000579110699 655494093 /nfs/dbraw/zinc/49/40/93/655494093.db2.gz YTHFPBSAILXIKS-INIZCTEOSA-N 1 0 384.261 2.815 20 0 GFADRO CC[C@H]([NH2+][C@H]1CCS(=O)(=O)c2ccc(Br)cc21)C(C)(C)O ZINC000579247992 655496672 /nfs/dbraw/zinc/49/66/72/655496672.db2.gz VMLXYSIRUXEWIV-JSGCOSHPSA-N 1 0 376.316 2.807 20 0 GFADRO C[C@@H](CNC(=O)N(C)C[C@@H](O)c1cccc(Br)c1)C[NH+]1CCCC1 ZINC000840259029 661150146 /nfs/dbraw/zinc/15/01/46/661150146.db2.gz BEDIIXQQRPTFJY-WMLDXEAASA-N 1 0 398.345 2.856 20 0 GFADRO OC[C@@H]([NH2+]C1CCN(Cc2ccccc2Br)CC1)C1CCOCC1 ZINC000579396829 655498875 /nfs/dbraw/zinc/49/88/75/655498875.db2.gz PGWUKLPEJUBYJS-LJQANCHMSA-N 1 0 397.357 2.791 20 0 GFADRO C[C@@H](CNC(=O)[C@@H](c1ccc(Cl)cc1Cl)N1CCOCC1)C[NH+](C)C ZINC000579505521 655500483 /nfs/dbraw/zinc/50/04/83/655500483.db2.gz IVZWHXOPHZHESH-SUMWQHHRSA-N 1 0 388.339 2.681 20 0 GFADRO C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]C[C@@H]1CC(=O)N(C2CC2)C1 ZINC000579722339 655503163 /nfs/dbraw/zinc/50/31/63/655503163.db2.gz INQGBDIHRMMUQD-STQMWFEESA-N 1 0 394.313 2.767 20 0 GFADRO CC(C)([NH3+])c1nocc1C(=O)N[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000579859531 655505114 /nfs/dbraw/zinc/50/51/14/655505114.db2.gz WGZUVXKZTUMKJD-LBPRGKRZSA-N 1 0 393.285 2.640 20 0 GFADRO C[C@@H]([NH3+])C[C@H](C)NC(=O)N1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000580070894 655507817 /nfs/dbraw/zinc/50/78/17/655507817.db2.gz FDOKMVIIQNYVMJ-NEPJUHHUSA-N 1 0 387.311 2.587 20 0 GFADRO C[C@H]1CC[N@H+](CCNC(=O)C2(c3ccc(I)cc3)CC2)C1 ZINC000580098125 655508452 /nfs/dbraw/zinc/50/84/52/655508452.db2.gz QQQDRTUQTRJTMO-ZDUSSCGKSA-N 1 0 398.288 2.781 20 0 GFADRO CS[C@H]1CN(C(=O)c2cncc(Br)c2C)C[C@H]1[NH+]1CCCC1 ZINC000597511261 655521090 /nfs/dbraw/zinc/52/10/90/655521090.db2.gz XVOOFOXCFOEZIA-CABCVRRESA-N 1 0 384.343 2.804 20 0 GFADRO CO[C@@](C)(C[NH2+]Cc1cc(Br)nn1C)COCc1ccccc1 ZINC000702785069 655521840 /nfs/dbraw/zinc/52/18/40/655521840.db2.gz ATPSPFFYBXDEOV-KRWDZBQOSA-N 1 0 382.302 2.894 20 0 GFADRO C[C@]12C[NH2+]C[C@H]1CN(Cc1ncc(Br)cc1Br)C2 ZINC000703566232 655522010 /nfs/dbraw/zinc/52/20/10/655522010.db2.gz IROJQYZIVWDTCN-TVQRCGJNSA-N 1 0 375.108 2.648 20 0 GFADRO Cn1cc(C[NH2+]CCC2(CNC(=O)OC(C)(C)C)CC2)c(Br)n1 ZINC000712420112 655522719 /nfs/dbraw/zinc/52/27/19/655522719.db2.gz OCIHSOPWGMPSIL-UHFFFAOYSA-N 1 0 387.322 2.967 20 0 GFADRO O=C(NCCC1(O)CC[NH+](Cc2ccccc2)CC1)c1csc(Cl)n1 ZINC000717996479 655523972 /nfs/dbraw/zinc/52/39/72/655523972.db2.gz STNBAAQFBAIJIL-UHFFFAOYSA-N 1 0 379.913 2.944 20 0 GFADRO COc1nsc(C[NH2+][C@H]2CCCN3CCSC[C@H]23)c1Br ZINC000720494194 655524535 /nfs/dbraw/zinc/52/45/35/655524535.db2.gz HXXGRARBAIQBEW-VHSXEESVSA-N 1 0 378.361 2.584 20 0 GFADRO CC(C)[C@@H](C[NH+](C)C)NC(=O)c1cccc(F)c1I ZINC000721661650 655524886 /nfs/dbraw/zinc/52/48/86/655524886.db2.gz GGJLRSOTWABKFZ-GFCCVEGCSA-N 1 0 378.229 2.746 20 0 GFADRO CN1C[C@H](CC[NH2+]Cc2cc(Cl)ccc2I)CC1=O ZINC000723368444 655525364 /nfs/dbraw/zinc/52/53/64/655525364.db2.gz LAGGFPKYOGZYEO-SNVBAGLBSA-N 1 0 392.668 2.903 20 0 GFADRO O=S(=O)(CC1CC[NH2+]CC1)NCc1cc(Br)ccc1Cl ZINC000722372318 655525368 /nfs/dbraw/zinc/52/53/68/655525368.db2.gz QRTXGYJHNUZBBL-UHFFFAOYSA-N 1 0 381.723 2.522 20 0 GFADRO Brc1cncc(Br)c1C[NH2+]C[C@H]1C[C@@H]2COC[C@@H]2O1 ZINC000724565330 655525666 /nfs/dbraw/zinc/52/56/66/655525666.db2.gz BRUWJJVMJUXPJG-KKFJDGPESA-N 1 0 392.091 2.500 20 0 GFADRO C[C@H]([NH2+]CC(C)(C)CS(C)(=O)=O)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000723883515 655525673 /nfs/dbraw/zinc/52/56/73/655525673.db2.gz RJDHYHMOBQQVFY-AWEZNQCLSA-N 1 0 376.563 2.682 20 0 GFADRO CCn1cc(Br)cc1C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000726801256 655538537 /nfs/dbraw/zinc/53/85/37/655538537.db2.gz FQHGKPUYXUNNBS-OAHLLOKOSA-N 1 0 384.318 2.644 20 0 GFADRO Cc1c(Br)cccc1NC(=O)C(=O)NC[C@H](C)[NH+]1CCCCC1 ZINC000727038423 655540884 /nfs/dbraw/zinc/54/08/84/655540884.db2.gz POPIFLPHHYMCJH-LBPRGKRZSA-N 1 0 382.302 2.687 20 0 GFADRO C[NH+](C)CC(C)(C)CNC(=S)N1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000727066672 655541121 /nfs/dbraw/zinc/54/11/21/655541121.db2.gz NPEQSLMZJJQEJV-UHFFFAOYSA-N 1 0 383.005 2.920 20 0 GFADRO COc1cc(CNC(=S)NCC(C)(C)C[NH+](C)C)ccc1OC(F)F ZINC000727072371 655541280 /nfs/dbraw/zinc/54/12/80/655541280.db2.gz NDAPPYGTWVXOSJ-UHFFFAOYSA-N 1 0 375.485 2.849 20 0 GFADRO Cn1cnnc1Sc1ccc(NC(=S)NCC(C)(C)C[NH+](C)C)cc1 ZINC000727073389 655541409 /nfs/dbraw/zinc/54/14/09/655541409.db2.gz ZABBPOOPHCKCQT-UHFFFAOYSA-N 1 0 378.571 2.841 20 0 GFADRO COc1ccc(CNC(=S)NCC(C)(C)C[NH+](C)C)cc1OC(F)F ZINC000727074962 655541458 /nfs/dbraw/zinc/54/14/58/655541458.db2.gz UYKRYOJHLBLWTG-UHFFFAOYSA-N 1 0 375.485 2.849 20 0 GFADRO C[NH+](C)CC(C)(C)CNC(=S)NCCc1cc(Cl)c2c(c1)OCCO2 ZINC000727073510 655541466 /nfs/dbraw/zinc/54/14/66/655541466.db2.gz NZHWUSQXKHZWSU-UHFFFAOYSA-N 1 0 385.961 2.706 20 0 GFADRO O=S(=O)(/C=C\c1ccc(Br)cc1)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000727452801 655545619 /nfs/dbraw/zinc/54/56/19/655545619.db2.gz OZVHUEKBIAWSAE-ORVLFJDJSA-N 1 0 385.327 2.966 20 0 GFADRO Cc1ccc(C)n1CC[NH+]1CCN(C(=S)NCCc2cccs2)CC1 ZINC000727691333 655548477 /nfs/dbraw/zinc/54/84/77/655548477.db2.gz REKFWWCBULZYJS-UHFFFAOYSA-N 1 0 376.595 2.901 20 0 GFADRO Cc1ccc(/C=C\C(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c(Br)c1 ZINC000730083122 655571584 /nfs/dbraw/zinc/57/15/84/655571584.db2.gz CIBJLSNNTGTEND-JKCVZHOFSA-N 1 0 393.325 2.828 20 0 GFADRO COC(=O)/C=C1\SCC(=O)N1CCC[N@H+](C)[C@H](C)c1sc(C)nc1C ZINC000730264697 655573015 /nfs/dbraw/zinc/57/30/15/655573015.db2.gz LLQWTFJYPBSNJU-CDCQXCROSA-N 1 0 383.539 2.733 20 0 GFADRO COC1CC[NH+](C(C)(C)CNS(=O)(=O)c2ccc(Cl)nc2Cl)CC1 ZINC000730815180 655578512 /nfs/dbraw/zinc/57/85/12/655578512.db2.gz LAGMRIFXJSFWLB-UHFFFAOYSA-N 1 0 396.340 2.556 20 0 GFADRO O=C(NCCCc1cccc(Br)c1)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000731220866 655582624 /nfs/dbraw/zinc/58/26/24/655582624.db2.gz WHEWLXRHNNBDFC-SJORKVTESA-N 1 0 396.329 2.544 20 0 GFADRO CN1CCC([N@@H+]2CC[C@H](NC(=S)Nc3cccc(Br)c3)C2)CC1 ZINC000732722307 655600814 /nfs/dbraw/zinc/60/08/14/655600814.db2.gz ZGLUDMWMGYRWMN-HNNXBMFYSA-N 1 0 397.386 2.904 20 0 GFADRO Cc1ccc(/C=C/C(=O)NCC2([NH+](C)C)CCOCC2)c(Br)c1 ZINC000733868189 655621993 /nfs/dbraw/zinc/62/19/93/655621993.db2.gz VRAYXORGFSVXPL-VOTSOKGWSA-N 1 0 381.314 2.998 20 0 GFADRO CC(C)C[C@@H](CNC(=O)c1cn(-c2ccccc2Br)nn1)[NH+](C)C ZINC000733973824 655624738 /nfs/dbraw/zinc/62/47/38/655624738.db2.gz XVGFSPYEDDWIAV-ZDUSSCGKSA-N 1 0 394.317 2.736 20 0 GFADRO O=C(NCc1cccc(Br)c1)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000734274134 655628759 /nfs/dbraw/zinc/62/87/59/655628759.db2.gz RJWXJIDBYHSINF-QGZVFWFLSA-N 1 0 396.329 2.892 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CNC(=S)NCc1nc(-c2cccc(Cl)c2)no1 ZINC000734310375 655629009 /nfs/dbraw/zinc/62/90/09/655629009.db2.gz LQOJFSAIXAQNEX-AWEZNQCLSA-N 1 0 379.917 2.838 20 0 GFADRO S=c1n(CN2CCC[C@H]2C[NH+]2CCCC2)nnn1-c1ccc(Cl)cc1 ZINC000738108883 655685557 /nfs/dbraw/zinc/68/55/57/655685557.db2.gz SZCUSMIXZOZRHB-INIZCTEOSA-N 1 0 378.933 2.969 20 0 GFADRO CC(C)Oc1nn(CN2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)c(=S)s1 ZINC000738170146 655686480 /nfs/dbraw/zinc/68/64/80/655686480.db2.gz NCXNWODCDUEGLY-HNNXBMFYSA-N 1 0 385.603 2.521 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)C(=O)CN2C(=S)N=NC2c2cccs2)C[C@H]1C ZINC000740841486 655699756 /nfs/dbraw/zinc/69/97/56/655699756.db2.gz RNUDVZKOWODDHD-OLZOCXBDSA-N 1 0 379.555 2.627 20 0 GFADRO C[C@@H]1C[C@H](C)[N@H+](CN2C(=O)N[C@](C)(c3ccccc3Br)C2=O)C1 ZINC000740857940 655699897 /nfs/dbraw/zinc/69/98/97/655699897.db2.gz BNNLOTWKFPLBDQ-BWACUDIHSA-N 1 0 380.286 2.904 20 0 GFADRO S=c1snc(-c2ccccc2)n1CN1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000742161344 655710524 /nfs/dbraw/zinc/71/05/24/655710524.db2.gz GYVQFKRIDHZRAK-OAHLLOKOSA-N 1 0 376.551 2.953 20 0 GFADRO CC[NH+](CC)[C@H]1CCN(C(=O)/C=C/c2ccc(I)o2)C1 ZINC000742902002 655723390 /nfs/dbraw/zinc/72/33/90/655723390.db2.gz UQKWCILLOYEQGQ-WMADIVHISA-N 1 0 388.249 2.840 20 0 GFADRO CC[NH+](CC)[C@H]1CCN(C(=O)c2cn(-c3ccccc3Br)nn2)C1 ZINC000742902298 655723413 /nfs/dbraw/zinc/72/34/13/655723413.db2.gz ZMHADFNUUBDUIH-ZDUSSCGKSA-N 1 0 392.301 2.586 20 0 GFADRO O=C(Nc1cccc(Cl)c1SC(F)F)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000743919299 655732762 /nfs/dbraw/zinc/73/27/62/655732762.db2.gz FGPLJVWMJRFBDB-SECBINFHSA-N 1 0 389.855 2.946 20 0 GFADRO COc1ccc([C@H](C)[NH2+]CC2CCN(S(=O)(=O)C(F)F)CC2)c(C)c1 ZINC000840729700 661179912 /nfs/dbraw/zinc/17/99/12/661179912.db2.gz QCNQKPNSROJFPA-ZDUSSCGKSA-N 1 0 376.469 2.919 20 0 GFADRO CC[C@@](C)([NH2+]CCCN1C(=O)CS/C1=C/C(=O)OC)c1nc(C)cs1 ZINC000744424232 655740036 /nfs/dbraw/zinc/74/00/36/655740036.db2.gz IZHYSBJBARIIEB-RKCSUWQLSA-N 1 0 383.539 2.646 20 0 GFADRO C[C@H]([NH2+]Cc1cnc(N2CCOCC2)s1)[C@H](O)c1c(F)cccc1Cl ZINC000744446513 655740272 /nfs/dbraw/zinc/74/02/72/655740272.db2.gz AHAVKZSTNGNOGY-ZBEGNZNMSA-N 1 0 385.892 2.984 20 0 GFADRO CC(C)[NH+]1CCC(NC(=O)COC(=O)CSc2ccc(Cl)cc2)CC1 ZINC000744494120 655741118 /nfs/dbraw/zinc/74/11/18/655741118.db2.gz JUQVDODZQLGBOV-UHFFFAOYSA-N 1 0 384.929 2.964 20 0 GFADRO OCCC[N@@H+]1CCC[C@@H]1CNC(=S)NCCSc1ccc(Cl)cc1 ZINC000840776883 661187073 /nfs/dbraw/zinc/18/70/73/661187073.db2.gz PDHANJQPAGJNDZ-OAHLLOKOSA-N 1 0 388.002 2.743 20 0 GFADRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)CN2C(=S)N=NC2c2cccs2)C1 ZINC000745997366 655757287 /nfs/dbraw/zinc/75/72/87/655757287.db2.gz PZJYFIDVQMDDOH-CYBMUJFWSA-N 1 0 379.555 2.532 20 0 GFADRO CCO[C@H](CC[NH2+]Cc1c(C)nn([C@@H]2CCS(=O)(=O)C2)c1Cl)C(C)C ZINC000746052885 655757943 /nfs/dbraw/zinc/75/79/43/655757943.db2.gz BGKRDACTKTUVNG-GDBMZVCRSA-N 1 0 391.965 2.745 20 0 GFADRO O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)c1ccc(C(F)(F)F)nc1Cl ZINC000746220360 655759058 /nfs/dbraw/zinc/75/90/58/655759058.db2.gz ULPUZCAJYWVXGH-NSHDSACASA-N 1 0 377.794 2.737 20 0 GFADRO CC(C)Oc1cc(Br)cc(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)c1 ZINC000746595460 655764374 /nfs/dbraw/zinc/76/43/74/655764374.db2.gz PLEMNWVMRDDLGU-DOTOQJQBSA-N 1 0 397.313 2.829 20 0 GFADRO CC[NH+](CC)CCO[C@@H]1CCN(c2ccccc2S(=O)(=O)C(F)F)C1 ZINC000747228364 655774356 /nfs/dbraw/zinc/77/43/56/655774356.db2.gz UMNFAPXNZGFRCM-CQSZACIVSA-N 1 0 376.469 2.620 20 0 GFADRO O=C(CCSc1ccccc1Br)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000747237590 655774792 /nfs/dbraw/zinc/77/47/92/655774792.db2.gz WBVXEKDLWRBKPR-ZIAGYGMSSA-N 1 0 399.354 2.911 20 0 GFADRO CCC[N@H+](CC)CCNS(=O)(=O)c1cc(Br)cc(F)c1OC ZINC000747285521 655776358 /nfs/dbraw/zinc/77/63/58/655776358.db2.gz MNKIKJIKAWCXJR-UHFFFAOYSA-N 1 0 397.310 2.607 20 0 GFADRO CC(=O)N1CSC[C@@H]1C(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000747371855 655778005 /nfs/dbraw/zinc/77/80/05/655778005.db2.gz AFJQGKFWANWHSF-IAGOWNOFSA-N 1 0 381.929 2.515 20 0 GFADRO CCc1c(Cl)nc(CS(C)(=O)=O)nc1N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000749095765 655800009 /nfs/dbraw/zinc/80/00/09/655800009.db2.gz ANMFNIYBVFUEPC-ZDUSSCGKSA-N 1 0 388.965 2.548 20 0 GFADRO O=S(=O)(c1ccccc1)N1CCC(C[NH2+]Cc2ccc(Cl)nc2)CC1 ZINC000751502168 655830135 /nfs/dbraw/zinc/83/01/35/655830135.db2.gz XVQYAVIRSOSZQW-UHFFFAOYSA-N 1 0 379.913 2.926 20 0 GFADRO CN(C)C(=O)c1ccc(C[NH2+]C[C@H](O)c2ccccc2Br)cc1 ZINC000751569154 655830979 /nfs/dbraw/zinc/83/09/79/655830979.db2.gz AFMSTLVRNCEQSG-KRWDZBQOSA-N 1 0 377.282 2.974 20 0 GFADRO O[C@H](CN1CCC[N@H+](C[C@@H]2CCCO2)CC1)c1ccccc1Br ZINC000751959251 655836809 /nfs/dbraw/zinc/83/68/09/655836809.db2.gz ULYNTHLSAROIAZ-MAUKXSAKSA-N 1 0 383.330 2.669 20 0 GFADRO COC(=O)CC[N@H+](C[C@H](O)c1ccccc1Br)C[C@H]1CCCO1 ZINC000751989421 655837989 /nfs/dbraw/zinc/83/79/89/655837989.db2.gz FJPIZPGKTZDTRQ-CJNGLKHVSA-N 1 0 386.286 2.527 20 0 GFADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)N1CCc2cc(Cl)cc(Cl)c2C1 ZINC000752370502 655842687 /nfs/dbraw/zinc/84/26/87/655842687.db2.gz OGEWRLWJJDJRMP-CABCVRRESA-N 1 0 384.307 2.924 20 0 GFADRO CC[C@@H](CNC(=O)NC[C@H]1CSCCS1)[N@@H+]1CCc2ccccc2C1 ZINC000752868491 655847517 /nfs/dbraw/zinc/84/75/17/655847517.db2.gz RUDKKZRHIOSWGK-ROUUACIJSA-N 1 0 379.595 2.971 20 0 GFADRO CCS(=O)(=O)NCCC[N@@H+](Cc1ccccc1)C[C@@H](O)c1cccs1 ZINC000753160754 655851032 /nfs/dbraw/zinc/85/10/32/655851032.db2.gz KZTZSVFBDJDMGK-QGZVFWFLSA-N 1 0 382.551 2.613 20 0 GFADRO Cc1cc(Br)ncc1NC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000754454572 655868003 /nfs/dbraw/zinc/86/80/03/655868003.db2.gz FHYNDSFVMKMMRD-ZDUSSCGKSA-N 1 0 385.306 2.631 20 0 GFADRO CCCNC(=O)C1([NH2+]CCS(=O)(=O)c2ccc(Cl)cc2)CCCCC1 ZINC000754665859 655871027 /nfs/dbraw/zinc/87/10/27/655871027.db2.gz LGVJBMRPKZKUMH-UHFFFAOYSA-N 1 0 386.945 2.932 20 0 GFADRO CCN(CC(=O)NCc1cccs1)C(=O)C[NH2+][C@H](C)c1ccc(C)s1 ZINC000754672087 655871135 /nfs/dbraw/zinc/87/11/35/655871135.db2.gz TYJVNMDYFFKCTL-CQSZACIVSA-N 1 0 379.551 2.934 20 0 GFADRO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000755386703 655882801 /nfs/dbraw/zinc/88/28/01/655882801.db2.gz QCCRTBBNEFHEPJ-LBPRGKRZSA-N 1 0 393.281 2.888 20 0 GFADRO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)NCC[N@H+]1CC[C@@H](C)C1 ZINC000755430266 655883149 /nfs/dbraw/zinc/88/31/49/655883149.db2.gz WRQPJEBBMLYLNK-LLVKDONJSA-N 1 0 393.281 2.936 20 0 GFADRO O=c1c(Br)nn(C[N@@H+]2CCC[C@H]3COCC[C@H]32)c2ccccc12 ZINC000755755060 655888479 /nfs/dbraw/zinc/88/84/79/655888479.db2.gz XLKSZIWPCMZZSX-GXTWGEPZSA-N 1 0 378.270 2.617 20 0 GFADRO O=c1c(Br)nn(C[N@@H+]2CCC[C@@H]([C@H]3CCOC3)C2)c2ccccc12 ZINC000755754356 655888499 /nfs/dbraw/zinc/88/84/99/655888499.db2.gz WSDCNQZRYCOPKZ-KGLIPLIRSA-N 1 0 392.297 2.865 20 0 GFADRO COC(=O)c1cc(S(=O)(=O)NC[C@@H](C)[N@@H+]2CCCC[C@@H]2C)ccc1Cl ZINC000757485115 655912215 /nfs/dbraw/zinc/91/22/15/655912215.db2.gz GSHOXBPJCKRSCJ-QWHCGFSZSA-N 1 0 388.917 2.668 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2ccc(Cl)c(C(=O)OC)c2)C[C@H]1C ZINC000757496816 655912739 /nfs/dbraw/zinc/91/27/39/655912739.db2.gz SUYSORPAHAASOG-OLZOCXBDSA-N 1 0 388.917 2.620 20 0 GFADRO CC[C@H](Cc1ccccc1Br)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000758158450 655924512 /nfs/dbraw/zinc/92/45/12/655924512.db2.gz XHXICZXEXFMXOE-OIISXLGYSA-N 1 0 395.341 2.997 20 0 GFADRO CCOC(=O)N1CCC([NH2+]C[C@@H](CO)Cc2ccc(Br)cc2)CC1 ZINC000758526470 655934964 /nfs/dbraw/zinc/93/49/64/655934964.db2.gz SNSLXEHRGKHHLV-HNNXBMFYSA-N 1 0 399.329 2.811 20 0 GFADRO OC[C@H](C[NH2+]C1CCC2(CC1)OCCO2)Cc1ccc(Br)cc1 ZINC000760030466 655967737 /nfs/dbraw/zinc/96/77/37/655967737.db2.gz CEPQMNVWJJZEST-HNNXBMFYSA-N 1 0 384.314 2.875 20 0 GFADRO CN(C(=O)c1cnn(-c2ccccc2)c1Br)[C@H]1CCC[N@H+](C)C1 ZINC000760314174 655975546 /nfs/dbraw/zinc/97/55/46/655975546.db2.gz IGHVGYMUKIJSCM-AWEZNQCLSA-N 1 0 377.286 2.801 20 0 GFADRO C[NH+](C)C[C@@H]1CCN(C(=O)c2cnn(-c3ccccc3)c2Br)C1 ZINC000760451764 655981350 /nfs/dbraw/zinc/98/13/50/655981350.db2.gz XBNLMQKMLUJLNU-ZDUSSCGKSA-N 1 0 377.286 2.659 20 0 GFADRO Cc1cc(C[NH2+]CC2CCN(S(=O)(=O)C(F)(F)F)CC2)cnc1Cl ZINC000760676345 655989228 /nfs/dbraw/zinc/98/92/28/655989228.db2.gz ZIIJOOIXKIYVIA-UHFFFAOYSA-N 1 0 385.839 2.695 20 0 GFADRO C[N@H+](CC(=O)NCC[C@@H](O)c1ccc(Cl)c(Cl)c1)[C@H]1CCSC1 ZINC000760689391 655989548 /nfs/dbraw/zinc/98/95/48/655989548.db2.gz CXYIKOCGWWCSTJ-SWLSCSKDSA-N 1 0 377.337 2.970 20 0 GFADRO C[C@@H]1C[C@H](N2C(=O)CN(Cc3cccc(Br)c3)C2=O)CC[N@@H+]1C ZINC000761283244 656007678 /nfs/dbraw/zinc/00/76/78/656007678.db2.gz RVLVELFRKICJPH-IUODEOHRSA-N 1 0 380.286 2.696 20 0 GFADRO C[C@@H](C1=CC[N@H+](C)CC1)N1C(=O)N[C@@](C)(c2cccc(Br)c2)C1=O ZINC000762318824 656038993 /nfs/dbraw/zinc/03/89/93/656038993.db2.gz YVYRIGKVIZLLRC-SGTLLEGYSA-N 1 0 392.297 2.867 20 0 GFADRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)N[C@@H]2CC[C@@H]3SCCS[C@H]23)C1 ZINC000762621918 656051886 /nfs/dbraw/zinc/05/18/86/656051886.db2.gz ANZRZNQPRUYZGV-WCXIOVBPSA-N 1 0 387.615 2.508 20 0 GFADRO CS(=O)(=O)c1ccc(C[NH2+]C[C@@H](O)c2ccccc2Br)s1 ZINC000840953072 661218207 /nfs/dbraw/zinc/21/82/07/661218207.db2.gz LZGLVKKRAZVHLF-CYBMUJFWSA-N 1 0 390.324 2.737 20 0 GFADRO Cc1sc(Cl)nc1C(=O)NCc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000762840681 656060366 /nfs/dbraw/zinc/06/03/66/656060366.db2.gz HLLYVVUPAUDGJG-UHFFFAOYSA-N 1 0 378.929 2.782 20 0 GFADRO CC1(C)C[NH2+]CC[C@H]1NC(=O)Nc1cc2c(cc1Br)OCCO2 ZINC000841014481 661227400 /nfs/dbraw/zinc/22/74/00/661227400.db2.gz FMFWJLGVOXRFSF-CQSZACIVSA-N 1 0 384.274 2.730 20 0 GFADRO O=C(NCCC[C@@H]1CCC[NH2+]1)Nc1cc2c(cc1Br)OCCO2 ZINC000841015073 661228156 /nfs/dbraw/zinc/22/81/56/661228156.db2.gz KAANBXHJWWYLEL-NSHDSACASA-N 1 0 384.274 2.874 20 0 GFADRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NS(=O)(=O)/C=C/c1ccc(Br)cc1 ZINC000765207446 656137060 /nfs/dbraw/zinc/13/70/60/656137060.db2.gz HOTANBFZMHAILF-KEVMOQNWSA-N 1 0 385.327 2.822 20 0 GFADRO C[C@@H]([NH2+][C@@H]1CCN(CC(F)(F)F)C1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000765506256 656144515 /nfs/dbraw/zinc/14/45/15/656144515.db2.gz ZJOKXCJSOFSHHW-ZYHUDNBSSA-N 1 0 386.386 2.970 20 0 GFADRO CC[NH+](CC)C[C@H]1CCN(CN2C(=O)c3ccc(Br)cc3C2=O)C1 ZINC000766096268 656161409 /nfs/dbraw/zinc/16/14/09/656161409.db2.gz VUOFEMPZBUYXBG-CYBMUJFWSA-N 1 0 394.313 2.666 20 0 GFADRO CC[N@@H+]1C[C@H](C)N(C(=O)CCN2C(=S)N=NC2c2cccs2)C[C@@H]1C ZINC000766249751 656166448 /nfs/dbraw/zinc/16/64/48/656166448.db2.gz PJRHHOUSXWNXNA-STQMWFEESA-N 1 0 379.555 2.627 20 0 GFADRO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(Cc2nc3ccccn3c2Br)CC1 ZINC000841099778 661232932 /nfs/dbraw/zinc/23/29/32/661232932.db2.gz OUEDLDHWSSDBLG-RHSMWYFYSA-N 1 0 393.329 2.815 20 0 GFADRO C[C@H]1C[C@@H](NC(=O)Nc2cnc(Br)c(Br)c2)CC[NH2+]1 ZINC000841141764 661236915 /nfs/dbraw/zinc/23/69/15/661236915.db2.gz KIROUTFOEVFSGA-YUMQZZPRSA-N 1 0 392.095 2.869 20 0 GFADRO C[C@H]1CN(C(=O)Nc2cnc(Br)c(Br)c2)CC[C@H]1[NH3+] ZINC000841141225 661236971 /nfs/dbraw/zinc/23/69/71/661236971.db2.gz HDHXWKHOEJPCSV-OIBJUYFYSA-N 1 0 392.095 2.808 20 0 GFADRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)Nc1cnc(Br)c(Br)c1 ZINC000841142462 661237740 /nfs/dbraw/zinc/23/77/40/661237740.db2.gz PMTWQNXHGHHAOM-YUMQZZPRSA-N 1 0 392.095 2.808 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)Nc2ccccc2SC(F)(F)F)C1 ZINC000841178892 661241770 /nfs/dbraw/zinc/24/17/70/661241770.db2.gz IMBHZQCWTKKBCG-MNOVXSKESA-N 1 0 375.416 2.823 20 0 GFADRO Cc1c(C[N@@H+]2CCCC[C@@H]2CNS(C)(=O)=O)sc2nc(C)nc(C)c12 ZINC000768342097 656237529 /nfs/dbraw/zinc/23/75/29/656237529.db2.gz OGOINENSYCHHLI-CQSZACIVSA-N 1 0 382.555 2.520 20 0 GFADRO O=S(=O)(/C=C\c1cccc(Cl)c1)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000768831095 656253520 /nfs/dbraw/zinc/25/35/20/656253520.db2.gz GNZJXPFWWQXHBA-XSZJWBAASA-N 1 0 384.929 2.874 20 0 GFADRO CCOc1ccc(NC(=O)C(=O)N(C)C2CCC([NH3+])CC2)cc1Br ZINC000841188722 661243037 /nfs/dbraw/zinc/24/30/37/661243037.db2.gz MUFWUOVCMRVMAX-UHFFFAOYSA-N 1 0 398.301 2.515 20 0 GFADRO C[C@H](CCC1CC1)[NH2+][C@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000769418995 656275597 /nfs/dbraw/zinc/27/55/97/656275597.db2.gz XIQQMFFUKDAIFJ-ZIAGYGMSSA-N 1 0 388.555 2.642 20 0 GFADRO C[N@H+](CCCNC(=O)c1nccn2c(Br)cnc12)C1CCCCC1 ZINC000769664301 656284981 /nfs/dbraw/zinc/28/49/81/656284981.db2.gz MUPVVRCGDFTPAA-UHFFFAOYSA-N 1 0 394.317 2.876 20 0 GFADRO C[C@H]1C[C@H](NC(=O)C(=O)Nc2ccc3cc(Br)ccc3c2)CC[NH2+]1 ZINC000841230242 661246276 /nfs/dbraw/zinc/24/62/76/661246276.db2.gz NJNOKUWNWQOHAR-MEDUHNTESA-N 1 0 390.281 2.798 20 0 GFADRO O=C(Nc1ccc2nccnc2c1Br)N1CCC2(C1)CC[NH2+]CC2 ZINC000841239844 661247897 /nfs/dbraw/zinc/24/78/97/661247897.db2.gz YURUEHHNSNDTPM-UHFFFAOYSA-N 1 0 390.285 3.000 20 0 GFADRO O=C(Nc1cccc(Cl)c1SC(F)F)C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000841248687 661248913 /nfs/dbraw/zinc/24/89/13/661248913.db2.gz FOOAQNFSIHIFAE-MWLCHTKSSA-N 1 0 389.855 2.804 20 0 GFADRO O=C(c1cccnc1I)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000770498898 656321128 /nfs/dbraw/zinc/32/11/28/656321128.db2.gz IJZSZUFFJZXRFR-ZDUSSCGKSA-N 1 0 399.276 2.634 20 0 GFADRO C[C@@H](CNC(=O)c1cccnc1I)[N@@H+]1CCC[C@H](C)C1 ZINC000770553768 656323003 /nfs/dbraw/zinc/32/30/03/656323003.db2.gz ZFAUWTXGAHVXJA-RYUDHWBXSA-N 1 0 387.265 2.536 20 0 GFADRO C[NH+](C)C[C@H]1CCN(C(=O)c2cc(=O)c3cc(Br)ccc3o2)C1 ZINC000841396202 661259810 /nfs/dbraw/zinc/25/98/10/661259810.db2.gz NZMYPDBNRJNCKQ-LLVKDONJSA-N 1 0 379.254 2.579 20 0 GFADRO CS[C@H]1CN(c2ccc(S(=O)(=O)C(F)F)cc2)C[C@@H]1[NH+]1CCCC1 ZINC000772581635 656383455 /nfs/dbraw/zinc/38/34/55/656383455.db2.gz WEJSZKRGCZNOMH-GJZGRUSLSA-N 1 0 376.494 2.699 20 0 GFADRO CS[C@@H]1CN(C(=O)C[C@@H](O)c2cc(Cl)cc(Cl)c2)C[C@H]1[NH+](C)C ZINC000772847306 656391826 /nfs/dbraw/zinc/39/18/26/656391826.db2.gz RQMUTFYFZXBDDB-RBSFLKMASA-N 1 0 377.337 2.921 20 0 GFADRO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)CCSc1nc2ccccc2s1 ZINC000841452858 661267169 /nfs/dbraw/zinc/26/71/69/661267169.db2.gz FMCNQHLYTAUMHZ-UONOGXRCSA-N 1 0 379.551 2.692 20 0 GFADRO O=C(NC[C@@H]1CC1(Cl)Cl)C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000774811576 656558954 /nfs/dbraw/zinc/55/89/54/656558954.db2.gz OBQADEOXAPGDRA-AWEZNQCLSA-N 1 0 390.355 2.601 20 0 GFADRO Cc1cc(Br)cc(C[NH2+][C@@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)c1 ZINC000775003593 656584294 /nfs/dbraw/zinc/58/42/94/656584294.db2.gz XHIZKKJXIXQHEV-MLGOLLRUSA-N 1 0 377.286 2.775 20 0 GFADRO CC[NH+](CC)[C@H](CNC(=O)C(=O)NC[C@@H]1CC1(Cl)Cl)c1ccsc1 ZINC000775152985 656604271 /nfs/dbraw/zinc/60/42/71/656604271.db2.gz QAENYRFICAZGRT-QWHCGFSZSA-N 1 0 392.352 2.557 20 0 GFADRO Fc1ccc(N2CCN(CC[NH2+][C@@H]3CC[C@H]4SCCS[C@H]34)CC2)cc1 ZINC000775361874 656632402 /nfs/dbraw/zinc/63/24/02/656632402.db2.gz DJDFMANHALVCPQ-GUDVDZBRSA-N 1 0 381.586 2.917 20 0 GFADRO COc1ccc(CN2CC[C@H]([NH2+][C@@H]3CC[C@H]4SCCS[C@@H]34)C2=O)cc1 ZINC000775409501 656638220 /nfs/dbraw/zinc/63/82/20/656638220.db2.gz NCWJSXYKKKCSID-XDNAFOTISA-N 1 0 378.563 2.765 20 0 GFADRO CC1(O)CCC([NH2+][C@H]2CCS(=O)(=O)c3ccc(Br)cc32)CC1 ZINC000775512088 656645858 /nfs/dbraw/zinc/64/58/58/656645858.db2.gz LJRHRKGYQZYISM-UGWHAMFMSA-N 1 0 388.327 2.951 20 0 GFADRO CC[NH+](CC)CCN(CCOC)C(=O)Nc1cc(Br)ncc1C ZINC000776047759 656707150 /nfs/dbraw/zinc/70/71/50/656707150.db2.gz CALUNUPYVCAQDF-UHFFFAOYSA-N 1 0 387.322 2.975 20 0 GFADRO Cc1cnc(Br)cc1NC(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000776057081 656709436 /nfs/dbraw/zinc/70/94/36/656709436.db2.gz SHBZCGLFEAOWJC-UHFFFAOYSA-N 1 0 397.317 2.919 20 0 GFADRO COC(=O)N1CCC([C@@H](C)[NH2+]C[C@@H](O)c2ccc(Br)cc2)CC1 ZINC000776808389 656796534 /nfs/dbraw/zinc/79/65/34/656796534.db2.gz QMBMDIGZYBTUFL-MLGOLLRUSA-N 1 0 385.302 2.939 20 0 GFADRO OCCCC[NH+]1CCN(Cc2ccc(Br)c3cccnc23)CC1 ZINC000779013910 656897459 /nfs/dbraw/zinc/89/74/59/656897459.db2.gz HYFBOSNEZRNFSZ-UHFFFAOYSA-N 1 0 378.314 2.887 20 0 GFADRO CCS(=O)(=O)CC[NH2+][C@@H](c1ccc(Br)cc1)[C@@H]1CCCO1 ZINC000779051555 656898117 /nfs/dbraw/zinc/89/81/17/656898117.db2.gz DQHRGMMQJSPWMQ-GJZGRUSLSA-N 1 0 376.316 2.694 20 0 GFADRO CS[C@@H]1CN(C(=O)Nc2ccc(N3CCSCC3)cc2)C[C@H]1[NH+](C)C ZINC000779354627 656921445 /nfs/dbraw/zinc/92/14/45/656921445.db2.gz JRKAPYRZMASMQU-IAGOWNOFSA-N 1 0 380.583 2.749 20 0 GFADRO CCOC(=O)C(F)(F)[C@H]1CCC[C@@H]([NH2+]CCC2CCS(=O)(=O)CC2)C1 ZINC000779415277 656925175 /nfs/dbraw/zinc/92/51/75/656925175.db2.gz JXHPHWFIWFLHQX-LSDHHAIUSA-N 1 0 381.485 2.548 20 0 GFADRO COc1ccc(C(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)nc1Br ZINC000781943041 657091675 /nfs/dbraw/zinc/09/16/75/657091675.db2.gz JLMIHJVGZZGCPS-BETUJISGSA-N 1 0 384.318 2.951 20 0 GFADRO C[NH+]1CCC(NC(=S)N2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)CC1 ZINC000782211559 657116290 /nfs/dbraw/zinc/11/62/90/657116290.db2.gz DCMGGRLFXOWPEU-ZDUSSCGKSA-N 1 0 375.464 2.508 20 0 GFADRO COc1cc([C@H](C)[NH2+]CC2(N(C)C)CCC2)ccc1S(=O)(=O)C(F)F ZINC000783315496 657220843 /nfs/dbraw/zinc/22/08/43/657220843.db2.gz XLSNWEBLQPSZMB-LBPRGKRZSA-N 1 0 376.469 2.826 20 0 GFADRO O=S(=O)(N1CCC([NH2+]CCCCOc2ccccc2)CC1)C(F)(F)F ZINC000783649345 657250073 /nfs/dbraw/zinc/25/00/73/657250073.db2.gz AMTMZJUTGGJTJC-UHFFFAOYSA-N 1 0 380.432 2.749 20 0 GFADRO C[NH+]1CCN(C(C)(C)CNC(=S)Nc2ccc(Br)cc2)CC1 ZINC000783723151 657254814 /nfs/dbraw/zinc/25/48/14/657254814.db2.gz CRSZZNVSAWEELQ-UHFFFAOYSA-N 1 0 385.375 2.762 20 0 GFADRO C[NH+]1CCC(NC(=S)Nc2ccc(CN3CCOCC3)c(Cl)c2)CC1 ZINC000783766740 657259737 /nfs/dbraw/zinc/25/97/37/657259737.db2.gz INQAYCVVRUVJCT-UHFFFAOYSA-N 1 0 382.961 2.553 20 0 GFADRO C[C@@H]1CCC[N@@H+]1CCNC(=O)CNC(=O)c1sc2ccccc2c1Cl ZINC000783918642 657274130 /nfs/dbraw/zinc/27/41/30/657274130.db2.gz RZYODGBTZBJAON-GFCCVEGCSA-N 1 0 379.913 2.885 20 0 GFADRO CCC[N@@H+]1CCC[C@H]1C(=O)NCc1ccc(C(=O)OC)cc1Br ZINC000785628391 657379203 /nfs/dbraw/zinc/37/92/03/657379203.db2.gz MPUVSMCKULJWFK-HNNXBMFYSA-N 1 0 383.286 2.726 20 0 GFADRO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)c1cnn(C)c1Br)[NH+](C)C ZINC000785855936 657390736 /nfs/dbraw/zinc/39/07/36/657390736.db2.gz KOOSMSIXXGPGIP-IUODEOHRSA-N 1 0 379.302 2.912 20 0 GFADRO C[NH+](C)CCc1ccc(CNC(=O)N[C@@H]2CC[C@H]3SCCS[C@@H]23)cc1 ZINC000786137620 657409413 /nfs/dbraw/zinc/40/94/13/657409413.db2.gz ZWJAYORMLZSAOP-KURKYZTESA-N 1 0 379.595 2.970 20 0 GFADRO C[NH+]1CCC(n2ccc(NC(=O)N[C@@H]3CC[C@H]4SCCS[C@@H]34)n2)CC1 ZINC000786699310 657453444 /nfs/dbraw/zinc/45/34/44/657453444.db2.gz MCXYPHQMMNPJOW-FMKPAKJESA-N 1 0 381.571 2.651 20 0 GFADRO Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C[NH2+]CCC1CS(=O)(=O)C1 ZINC000786823703 657469820 /nfs/dbraw/zinc/46/98/20/657469820.db2.gz CZDRRFOGNIPYMB-UHFFFAOYSA-N 1 0 385.892 2.557 20 0 GFADRO CC(C)(C)OC(=O)NC[C@H]1CCC[C@H]1[NH2+]Cc1ccc(S(C)(=O)=O)s1 ZINC000786958965 657496316 /nfs/dbraw/zinc/49/63/16/657496316.db2.gz OQLZYKARUJNFBY-TZMCWYRMSA-N 1 0 388.555 2.935 20 0 GFADRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(Br)nn2C)[C@@H]1Oc1ccccc1 ZINC000787276142 657537452 /nfs/dbraw/zinc/53/74/52/657537452.db2.gz PXAACWVIQCLUDO-INMHGKMJSA-N 1 0 380.286 2.897 20 0 GFADRO CC[N@H+](CC(=O)Nc1ccc(N2CCN(C)CC2)c(Br)c1)C1CC1 ZINC000787670194 657584152 /nfs/dbraw/zinc/58/41/52/657584152.db2.gz LUWWPZVPYMONPU-UHFFFAOYSA-N 1 0 395.345 2.624 20 0 GFADRO O=C(Nc1cccc(Cl)c1SC(F)F)C(=O)N1CC[NH+]2CCC1CC2 ZINC000787919215 657621854 /nfs/dbraw/zinc/62/18/54/657621854.db2.gz BTTLQLMBNDVSKC-UHFFFAOYSA-N 1 0 389.855 2.900 20 0 GFADRO C[NH+](C)CCN(C(=O)c1ccnc(Cl)c1I)C1CC1 ZINC000788150843 657660890 /nfs/dbraw/zinc/66/08/90/657660890.db2.gz YHBKKDPRXRQIRE-UHFFFAOYSA-N 1 0 393.656 2.506 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)c2cc(Br)n[nH]2)CC[N@@H+]1Cc1ccccc1 ZINC000788303941 657693413 /nfs/dbraw/zinc/69/34/13/657693413.db2.gz HGTRWMSHJHVOHI-OCCSQVGLSA-N 1 0 377.286 2.955 20 0 GFADRO CC(C)N(CCC[NH2+][C@H]1CCC[C@H](S(C)(=O)=O)C1)C(=O)OC(C)(C)C ZINC000788594005 657749166 /nfs/dbraw/zinc/74/91/66/657749166.db2.gz KDXKSKOMZCLGKY-HOTGVXAUSA-N 1 0 376.563 2.967 20 0 GFADRO Cc1cc(C)cc([C@H](O)C[NH2+][C@@H](C)Cn2cc(Br)ccc2=O)c1 ZINC000788818556 657787355 /nfs/dbraw/zinc/78/73/55/657787355.db2.gz PWENOFGAALOEFU-WMLDXEAASA-N 1 0 379.298 2.939 20 0 GFADRO COC(=O)c1cc(S(=O)(=O)N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)ccc1Cl ZINC000788914232 657797050 /nfs/dbraw/zinc/79/70/50/657797050.db2.gz VBMICIUBOMBKGZ-CHWSQXEVSA-N 1 0 388.917 2.525 20 0 GFADRO COc1nc(Br)ccc1NC(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000789394988 657848957 /nfs/dbraw/zinc/84/89/57/657848957.db2.gz ZNSVWHCJQVYGGH-GFCCVEGCSA-N 1 0 383.290 2.945 20 0 GFADRO C[NH+](C)Cc1ccc(S(=O)(=O)NC[C@@H](O)c2c(F)cccc2Cl)cc1 ZINC000790028294 657913933 /nfs/dbraw/zinc/91/39/33/657913933.db2.gz ZXOVUTUOYCGWQH-MRXNPFEDSA-N 1 0 386.876 2.553 20 0 GFADRO COC(=O)c1c2cnn(C[N@@H+]3CCC[C@H]3C[C@@H](C)O)c2ccc1Br ZINC000790442773 657979281 /nfs/dbraw/zinc/97/92/81/657979281.db2.gz PTXXQOPKILZDHG-NEPJUHHUSA-N 1 0 396.285 2.778 20 0 GFADRO C[C@H]1C[C@@H](NC(=O)c2nc(Br)ccc2Br)CC[N@@H+]1C ZINC000790675267 658011516 /nfs/dbraw/zinc/01/15/16/658011516.db2.gz VXDCMQMIZIUKMO-IUCAKERBSA-N 1 0 391.107 2.819 20 0 GFADRO O=C(Cc1cccnc1Br)NCC1([NH+]2CCCCC2)CCOCC1 ZINC000791358440 658086196 /nfs/dbraw/zinc/08/61/96/658086196.db2.gz FIDKDRIXENRGLL-UHFFFAOYSA-N 1 0 396.329 2.538 20 0 GFADRO Cc1cc(Br)c(N)c(C(=O)OCCCN2CC[NH+](C(C)C)CC2)c1 ZINC000791912729 658203256 /nfs/dbraw/zinc/20/32/56/658203256.db2.gz RUUMJNOEOOPPQX-UHFFFAOYSA-N 1 0 398.345 2.913 20 0 GFADRO CC(C)[NH+]1CCN(CCCOC(=O)[C@@H](O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000792015847 658221424 /nfs/dbraw/zinc/22/14/24/658221424.db2.gz IZTUWBCPVXXARE-KRWDZBQOSA-N 1 0 389.323 2.986 20 0 GFADRO COC(=O)[C@@H]1CC[C@H]([NH2+]Cc2ccc(Br)cc2N2CCOCC2)C1 ZINC000792201962 658250210 /nfs/dbraw/zinc/25/02/10/658250210.db2.gz MFUYTTDGWXRQOH-CJNGLKHVSA-N 1 0 397.313 2.717 20 0 GFADRO CCS(=O)(=O)CC[NH2+][C@@H](C)CCc1ccc(I)cc1 ZINC000792957538 658334522 /nfs/dbraw/zinc/33/45/22/658334522.db2.gz SATZBNRFMWVYSB-LBPRGKRZSA-N 1 0 395.306 2.637 20 0 GFADRO CC(C)(C)OC(=O)NCC[C@@H](O)C[NH2+]Cc1cc(Br)cs1 ZINC000792957016 658334529 /nfs/dbraw/zinc/33/45/29/658334529.db2.gz AZGDZLINALVPQN-LLVKDONJSA-N 1 0 379.320 2.876 20 0 GFADRO CC(C)(C)OC(=O)NCC[C@@H](O)C[NH2+]Cc1ccc(Br)s1 ZINC000792961108 658336315 /nfs/dbraw/zinc/33/63/15/658336315.db2.gz ZJFWVQXLWFLBNV-SNVBAGLBSA-N 1 0 379.320 2.876 20 0 GFADRO Cc1nc(SC(F)F)sc1CC(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000793495207 658399734 /nfs/dbraw/zinc/39/97/34/658399734.db2.gz HKBFKFOVKAPHGU-UHFFFAOYSA-N 1 0 393.525 2.878 20 0 GFADRO COC(=O)[C@@H](Cc1ccccc1)[C@H](C)[NH2+]Cc1cc(Br)nn1C ZINC000793607448 658414773 /nfs/dbraw/zinc/41/47/73/658414773.db2.gz DRNGFZTUYKHIDE-WFASDCNBSA-N 1 0 380.286 2.693 20 0 GFADRO CN1CC[C@]2(CC[N@H+](Cn3ccc(=O)c4cccc(Br)c43)C2)C1 ZINC000793769333 658435078 /nfs/dbraw/zinc/43/50/78/658435078.db2.gz UERRFKDNFDPHLJ-SFHVURJKSA-N 1 0 376.298 2.749 20 0 GFADRO Cc1ccc(C(=O)Nc2cccc(C[N@@H+]3CC[C@@H](O)C3)c2)c(Br)n1 ZINC000794562796 658562384 /nfs/dbraw/zinc/56/23/84/658562384.db2.gz AYTHXWQFFWPOKQ-OAHLLOKOSA-N 1 0 390.281 2.971 20 0 GFADRO CCc1ccc(N2CCN(C(=S)NC3CC[NH+](C)CC3)CC2)cc1Cl ZINC000795106085 658674394 /nfs/dbraw/zinc/67/43/94/658674394.db2.gz GQLAWBMHTPMVTK-UHFFFAOYSA-N 1 0 380.989 2.993 20 0 GFADRO O=C1c2c(cccc2Br)CN1CN1CC[C@H]([NH+]2CCCCC2)C1 ZINC000795422270 658816668 /nfs/dbraw/zinc/81/66/68/658816668.db2.gz HYXUEPZLPMJIJX-HNNXBMFYSA-N 1 0 378.314 2.923 20 0 GFADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1CNc1[nH+]ccn1CC(C)C ZINC000795805603 658853100 /nfs/dbraw/zinc/85/31/00/658853100.db2.gz KIMNRDDSVGOEKF-CYBMUJFWSA-N 1 0 385.921 2.669 20 0 GFADRO COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)NCC[N@@H+]1CCC[C@H]1C ZINC000795946362 658875922 /nfs/dbraw/zinc/87/59/22/658875922.db2.gz ZIBIOSADBPCVGW-SNVBAGLBSA-N 1 0 395.308 2.543 20 0 GFADRO Cc1nn(-c2ccccn2)c(Cl)c1C[NH2+]CCC1CCS(=O)(=O)CC1 ZINC000796346007 658913671 /nfs/dbraw/zinc/91/36/71/658913671.db2.gz PCJSSZMFTCDXMK-UHFFFAOYSA-N 1 0 382.917 2.534 20 0 GFADRO COC(=O)C[C@@](C)([NH2+]CC[C@@H]1CCOC1=O)c1ccc(Br)cc1 ZINC000796498814 658920694 /nfs/dbraw/zinc/92/06/94/658920694.db2.gz YDTBRCNCNVCAAN-SJKOYZFVSA-N 1 0 384.270 2.770 20 0 GFADRO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1COCC[C@H]1[NH2+]C[C@@H]1CSCCS1 ZINC000796791981 658939280 /nfs/dbraw/zinc/93/92/80/658939280.db2.gz FCNRYGVPAVOXDR-LJISPDSOSA-N 1 0 376.588 2.743 20 0 GFADRO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1COCC[C@H]1[NH2+]C[C@H]1CSCCS1 ZINC000796791987 658939489 /nfs/dbraw/zinc/93/94/89/658939489.db2.gz FCNRYGVPAVOXDR-ZQDZILKHSA-N 1 0 376.588 2.743 20 0 GFADRO Cc1cc([C@@H](C)[NH2+]CCNS(=O)(=O)c2cccc(Cl)c2Cl)n(C)n1 ZINC000797036045 658966607 /nfs/dbraw/zinc/96/66/07/658966607.db2.gz HZVNGEMWBSDJTI-LLVKDONJSA-N 1 0 391.324 2.664 20 0 GFADRO CCOC(=O)C(F)(F)[C@@H]1CC[C@H]([NH2+]CCn2cc(Br)cn2)C1 ZINC000797117685 658982997 /nfs/dbraw/zinc/98/29/97/658982997.db2.gz MTDCWZCXMWYBHT-PWSUYJOCSA-N 1 0 380.233 2.602 20 0 GFADRO Cc1nc(CS(=O)(=O)NC[C@]2(C)CC[N@H+](Cc3ccccc3)C2)cs1 ZINC000798458103 659108248 /nfs/dbraw/zinc/10/82/48/659108248.db2.gz BLHOLENJVQVYRW-SFHVURJKSA-N 1 0 379.551 2.783 20 0 GFADRO O=S(=O)(CC[NH2+][C@H](c1ccc(Cl)cc1)C1CCCC1)N1CCOCC1 ZINC000798930621 659158234 /nfs/dbraw/zinc/15/82/34/659158234.db2.gz VOJNZINYQJKNMM-SFHVURJKSA-N 1 0 386.945 2.823 20 0 GFADRO CN(CCC[NH+]1CCCC1)C(=O)COc1ccc(C=O)cc1Br ZINC000799026204 659160460 /nfs/dbraw/zinc/16/04/60/659160460.db2.gz NRLGJYOKBYIPIE-UHFFFAOYSA-N 1 0 383.286 2.585 20 0 GFADRO O=c1cc(C[N@@H+]2CC[C@@H](c3ccccn3)C2)nc2ccc(Br)cn12 ZINC000799192290 659172565 /nfs/dbraw/zinc/17/25/65/659172565.db2.gz AKSZINPCUCDZID-CYBMUJFWSA-N 1 0 385.265 2.842 20 0 GFADRO C[C@H](NC(=O)NC[C@H](O)c1cccc(Br)c1)C(C)(C)C[NH+](C)C ZINC000799945873 659248641 /nfs/dbraw/zinc/24/86/41/659248641.db2.gz XRBLFRDTBUEXCB-WFASDCNBSA-N 1 0 386.334 2.758 20 0 GFADRO CC[NH+](CC)CCCOC(=O)c1c(Cl)ccc(S(=O)(=O)NC)c1Cl ZINC000800179226 659286797 /nfs/dbraw/zinc/28/67/97/659286797.db2.gz MDEVUXAYJHLSKK-UHFFFAOYSA-N 1 0 397.324 2.790 20 0 GFADRO O[C@@H](C[NH2+]Cc1ccc(-n2cncn2)c(F)c1)c1cccc(Br)c1 ZINC000800290036 659298966 /nfs/dbraw/zinc/29/89/66/659298966.db2.gz WFKDKIOXLIDYQP-KRWDZBQOSA-N 1 0 391.244 2.992 20 0 GFADRO CC[C@](O)(C(=O)N1C[C@@H]([NH+]2CCCC2)[C@@H](SC)C1)c1cccc(Cl)c1 ZINC000800533937 659315312 /nfs/dbraw/zinc/31/53/12/659315312.db2.gz FYJCWPPFKXAJSD-ZIFCJYIRSA-N 1 0 382.957 2.976 20 0 GFADRO O=C(COC(=O)C1CC[NH+](C2CC2)CC1)Nc1ccc(Br)cc1 ZINC000801873959 659432020 /nfs/dbraw/zinc/43/20/20/659432020.db2.gz CMMKKSJAGFYRGD-UHFFFAOYSA-N 1 0 381.270 2.805 20 0 GFADRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2ccc([Si](C)(C)C)cc2)cc1 ZINC000801937551 659435846 /nfs/dbraw/zinc/43/58/46/659435846.db2.gz PPFHIELKTJAZNJ-HNNXBMFYSA-N 1 0 376.598 2.991 20 0 GFADRO CCCC1N=NC(=S)N1CC(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000802378840 659481438 /nfs/dbraw/zinc/48/14/38/659481438.db2.gz DJFVCZNHCSRGIK-CQSZACIVSA-N 1 0 381.933 2.592 20 0 GFADRO COc1ccc([C@H](C[NH+](C)C)NC(=O)Cc2cccnc2Br)cc1 ZINC000803807758 659606487 /nfs/dbraw/zinc/60/64/87/659606487.db2.gz PGSCZNDAHVGJOQ-INIZCTEOSA-N 1 0 392.297 2.814 20 0 GFADRO CC[C@@H](C)[NH2+][C@H](CNS(=O)(=O)c1cnc(Cl)c(F)c1)c1ccco1 ZINC000805099812 659739098 /nfs/dbraw/zinc/73/90/98/659739098.db2.gz MQGPTSZRYUZTCG-ZWNOBZJWSA-N 1 0 375.853 2.875 20 0 GFADRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)[C@@H]1Cc2cc(Br)ccc2O1 ZINC000805334204 659767068 /nfs/dbraw/zinc/76/70/68/659767068.db2.gz WAMOKSCPYULIHO-VMGRFDJRSA-N 1 0 379.298 2.838 20 0 GFADRO CC[C@H](C)[NH2+][C@@H](CNC(=O)c1c(C)nn(C)c1Br)c1ccco1 ZINC000807681367 659862047 /nfs/dbraw/zinc/86/20/47/659862047.db2.gz IQDCBKAFQDHTIB-JQWIXIFHSA-N 1 0 383.290 2.943 20 0 GFADRO CC[C@H](C)[NH2+][C@H](CNC(=O)c1c(C)nn(C)c1Br)c1ccco1 ZINC000807681366 659862122 /nfs/dbraw/zinc/86/21/22/659862122.db2.gz IQDCBKAFQDHTIB-CMPLNLGQSA-N 1 0 383.290 2.943 20 0 GFADRO FC(F)(F)CN1CCC(CC[NH2+]Cc2cnc(C3OCCO3)s2)CC1 ZINC000809625578 659934142 /nfs/dbraw/zinc/93/41/42/659934142.db2.gz KYCYCUPAZFNLRI-UHFFFAOYSA-N 1 0 379.448 2.943 20 0 GFADRO CCC[N@H+](CC)C[C@H](C)NS(=O)(=O)c1ccc(Cl)c(C(=O)OC)c1 ZINC000810120751 659963198 /nfs/dbraw/zinc/96/31/98/659963198.db2.gz PJWYDDBCYSSGHV-LBPRGKRZSA-N 1 0 376.906 2.525 20 0 GFADRO CNS(=O)(=O)Cc1ccc(C[NH2+][C@@H](C)c2ccc(Br)nc2)cc1 ZINC000810211961 659966729 /nfs/dbraw/zinc/96/67/29/659966729.db2.gz YKSBRHXIQNOLBU-LBPRGKRZSA-N 1 0 398.326 2.744 20 0 GFADRO COc1ccc(C[C@](C)(O)C[NH2+][C@@H]2CC[C@@H]3SCCS[C@@H]23)cc1OC ZINC000810255718 659967970 /nfs/dbraw/zinc/96/79/70/659967970.db2.gz OJKYXOHAFBBAPM-FCLVOEFKSA-N 1 0 383.579 2.967 20 0 GFADRO Nc1nc(N2CCC[C@@H](OC(=O)c3ccc(Br)c(F)c3)C2)cc[nH+]1 ZINC000810770022 659985385 /nfs/dbraw/zinc/98/53/85/659985385.db2.gz HDCIKIZOVRPSRB-LLVKDONJSA-N 1 0 395.232 2.786 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)N[C@H](CO)c2ccc(Br)cc2)C1 ZINC000810935469 659990730 /nfs/dbraw/zinc/99/07/30/659990730.db2.gz LRZXSJHFOJUQCM-RHSMWYFYSA-N 1 0 387.293 2.811 20 0 GFADRO C[C@H](Sc1nc2ccccc2s1)C(=O)NCCC[N@H+](C)CCN(C)C ZINC000811543085 660011690 /nfs/dbraw/zinc/01/16/90/660011690.db2.gz PXZWNIJHUVHCPN-AWEZNQCLSA-N 1 0 380.583 2.777 20 0 GFADRO CCCC[N@H+](C)C[C@H](C)NC(=O)CCN1C(=S)N=NC1c1cccs1 ZINC000811584112 660013005 /nfs/dbraw/zinc/01/30/05/660013005.db2.gz YALBMMYQBCJBIR-ZDUSSCGKSA-N 1 0 381.571 2.922 20 0 GFADRO CC(C)(C)OC(=O)NC[C@](C)(O)C[NH2+]Cc1ccc(F)cc1Br ZINC000811814188 660015848 /nfs/dbraw/zinc/01/58/48/660015848.db2.gz SESFKLXRTFYFRC-MRXNPFEDSA-N 1 0 391.281 2.954 20 0 GFADRO CSC1(CNC(=O)NC[C@](C)(O)c2cccc(Cl)c2)CC[NH+](C)CC1 ZINC000811941039 660017994 /nfs/dbraw/zinc/01/79/94/660017994.db2.gz ZKHXIOLPGAEGGW-KRWDZBQOSA-N 1 0 385.961 2.674 20 0 GFADRO CCN(C[C@@H](C)OC)Cn1c2ccc(I)cc2oc1=O ZINC000812302780 660023045 /nfs/dbraw/zinc/02/30/45/660023045.db2.gz YMQWEWPOIXECBA-SNVBAGLBSA-N 1 0 390.221 2.513 20 0 GFADRO COC(=O)c1cc(Br)cc(C(=O)NC[C@@H](C)[NH+]2CCCCC2)c1 ZINC000812478740 660027503 /nfs/dbraw/zinc/02/75/03/660027503.db2.gz VOAGUFKMFOMZEJ-GFCCVEGCSA-N 1 0 383.286 2.840 20 0 GFADRO COC(=O)CCC[NH+]1CCC(Nc2ccc(Br)nc2OC)CC1 ZINC000812758069 660034394 /nfs/dbraw/zinc/03/43/94/660034394.db2.gz BKXBOMATEAANKA-UHFFFAOYSA-N 1 0 386.290 2.682 20 0 GFADRO Cn1cc(CC(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)c(Cl)n1 ZINC000814407833 660080879 /nfs/dbraw/zinc/08/08/79/660080879.db2.gz LJAOEHOSKWURFQ-UHFFFAOYSA-N 1 0 378.929 2.846 20 0 GFADRO C[N@H+](CCN1CCCC1=O)C[C@@](C)(O)c1ccc(Br)cc1Cl ZINC000815048297 660107087 /nfs/dbraw/zinc/10/70/87/660107087.db2.gz OYGAARPVSCLONU-MRXNPFEDSA-N 1 0 389.721 2.864 20 0 GFADRO COCCS(=O)(=O)CCC[NH2+][C@@H](C)c1ccc(F)c(Br)c1 ZINC000815147017 660114335 /nfs/dbraw/zinc/11/43/35/660114335.db2.gz OQQYYCQTWKHELQ-NSHDSACASA-N 1 0 382.295 2.690 20 0 GFADRO CS(=O)(=O)CC1CCC([NH2+]C[C@H](O)c2cccc(C(F)(F)F)c2)CC1 ZINC000815592517 660126059 /nfs/dbraw/zinc/12/60/59/660126059.db2.gz KLHQDERPQJIYDV-MOQPWLNLSA-N 1 0 379.444 2.932 20 0 GFADRO CCCN(CC[NH2+]C1CCC(CS(C)(=O)=O)CC1)C(=O)OC(C)(C)C ZINC000815597789 660126287 /nfs/dbraw/zinc/12/62/87/660126287.db2.gz GLVRJFFBCVQOBW-UHFFFAOYSA-N 1 0 376.563 2.827 20 0 GFADRO O=C(NC1CC([NH+]2CCCCC2)C1)c1cn2c(Br)cnc2s1 ZINC000816547312 660160909 /nfs/dbraw/zinc/16/09/09/660160909.db2.gz RZNSSLWNLHZDMM-UHFFFAOYSA-N 1 0 383.315 2.905 20 0 GFADRO O=C(Nc1nc(Br)ccc1O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000816952927 660174239 /nfs/dbraw/zinc/17/42/39/660174239.db2.gz VOOQGVKJPLMBQV-NSHDSACASA-N 1 0 386.315 2.706 20 0 GFADRO O=C1[C@H]([NH2+]Cc2cc(Cl)cc(Br)c2)CCN1C1CCOCC1 ZINC000842167393 661325994 /nfs/dbraw/zinc/32/59/94/661325994.db2.gz QGJYLGDBAJEEJE-OAHLLOKOSA-N 1 0 387.705 2.972 20 0 GFADRO O=C1CCc2cc(Cl)c(S(=O)(=O)N3CCCC[C@@H]3[C@H]3CC[NH2+]C3)cc21 ZINC000842482489 661341412 /nfs/dbraw/zinc/34/14/12/661341412.db2.gz TWCUJAZBJWOWDE-XJKSGUPXSA-N 1 0 382.913 2.622 20 0 GFADRO [NH3+][C@@H]1CN(S(=O)(=O)c2cnc(Cl)c(Cl)c2)C[C@H]1c1ccccc1F ZINC000842485467 661341765 /nfs/dbraw/zinc/34/17/65/661341765.db2.gz UZEIJKBBGFLJJT-SMDDNHRTSA-N 1 0 390.267 2.643 20 0 GFADRO C[NH2+]C[C@H](C)c1noc([C@H](C)N2C(=O)c3ccc(Br)cc3C2=O)n1 ZINC000842580693 661344390 /nfs/dbraw/zinc/34/43/90/661344390.db2.gz PTCAFWWFKJFIHP-IUCAKERBSA-N 1 0 393.241 2.512 20 0 GFADRO C[NH2+]C[C@H](C)c1noc([C@@H]2CC(=O)N(c3ccc(Br)c(C)c3)C2)n1 ZINC000842581699 661344392 /nfs/dbraw/zinc/34/43/92/661344392.db2.gz YUXRDANTBUGMLF-NWDGAFQWSA-N 1 0 393.285 2.984 20 0 GFADRO COc1ccc(-c2nc([C@@H]([NH3+])CC(C)C)no2)nc1I ZINC000842586260 661344638 /nfs/dbraw/zinc/34/46/38/661344638.db2.gz OISJDHZCZIMIMN-QMMMGPOBSA-N 1 0 388.209 2.791 20 0 GFADRO Clc1ncc(Br)cc1C[NH2+]C[C@H]1COC2(CCOCC2)O1 ZINC000842699270 661349787 /nfs/dbraw/zinc/34/97/87/661349787.db2.gz PFYNWWKTEGQIET-LBPRGKRZSA-N 1 0 377.666 2.509 20 0 GFADRO COc1ccc2nc(Cl)ccc2c1S(=O)(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000842722515 661350963 /nfs/dbraw/zinc/35/09/63/661350963.db2.gz QPVLERUSVFAWAU-NWDGAFQWSA-N 1 0 383.901 2.645 20 0 GFADRO CN(C1CCC([NH3+])CC1)S(=O)(=O)c1ccc(Cl)cc1Br ZINC000842736589 661351671 /nfs/dbraw/zinc/35/16/71/661351671.db2.gz BNPSTGRUZFHYNV-UHFFFAOYSA-N 1 0 381.723 2.993 20 0 GFADRO CC(C)[N@@H+]1CCC[C@@H](COC(=O)c2cccc(S(=O)(=O)C(F)F)c2)C1 ZINC000842828241 661356583 /nfs/dbraw/zinc/35/65/83/661356583.db2.gz FVAGXVNTCTUKAG-CYBMUJFWSA-N 1 0 375.437 2.960 20 0 GFADRO COCCCOc1ccc(Cl)cc1S(=O)(=O)N1CCCC[C@H]1CC[NH3+] ZINC000842859097 661357252 /nfs/dbraw/zinc/35/72/52/661357252.db2.gz CPQGLWAEBDXYED-HNNXBMFYSA-N 1 0 390.933 2.647 20 0 GFADRO O=S(=O)(c1ccc(Cl)nc1Cl)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000842871457 661358082 /nfs/dbraw/zinc/35/80/82/661358082.db2.gz BJSCAFYQJWCJFV-VXGBXAGGSA-N 1 0 378.325 2.789 20 0 GFADRO CC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000842876199 661358558 /nfs/dbraw/zinc/35/85/58/661358558.db2.gz RIKWIKYSFUXQLT-HOTGVXAUSA-N 1 0 384.929 2.943 20 0 GFADRO COc1ccc2nc(Cl)ccc2c1S(=O)(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000842893975 661359315 /nfs/dbraw/zinc/35/93/15/661359315.db2.gz DVCGSACOAFMEOM-GFCCVEGCSA-N 1 0 383.901 2.707 20 0 GFADRO [NH3+]CCCCCCNC(=O)C(=O)Nc1cc2ccccc2nc1Br ZINC000843053235 661365524 /nfs/dbraw/zinc/36/55/24/661365524.db2.gz ZKBJDECMPFSERI-UHFFFAOYSA-N 1 0 393.285 2.571 20 0 GFADRO COc1cc(OC)cc([C@H](O)C[NH2+]C[C@@H](O)c2ccc(Br)cc2)c1 ZINC000843065467 661366016 /nfs/dbraw/zinc/36/60/16/661366016.db2.gz FQUZMQVUAJHDDV-QZTJIDSGSA-N 1 0 396.281 2.823 20 0 GFADRO COc1cc(OC)cc([C@H](O)C[NH2+]C[C@H](O)c2cccc(Br)c2)c1 ZINC000843071085 661366434 /nfs/dbraw/zinc/36/64/34/661366434.db2.gz YLKZXQNVNHAIAU-ZWKOTPCHSA-N 1 0 396.281 2.823 20 0 GFADRO COc1ccc([C@@H](CO)C[NH2+]C[C@H](O)c2ccccc2Br)cc1 ZINC000843098134 661367883 /nfs/dbraw/zinc/36/78/83/661367883.db2.gz VBWTXYOSEDXZTI-KDOFPFPSSA-N 1 0 380.282 2.857 20 0 GFADRO C[C@@](O)(C[NH2+][C@@H](CCO)C1CCOCC1)c1ccc(Br)cc1F ZINC000843108884 661368340 /nfs/dbraw/zinc/36/83/40/661368340.db2.gz QKKNOZCHQDBRSE-DLBZAZTESA-N 1 0 390.293 2.563 20 0 GFADRO C[C@@](O)(C[NH2+]Cc1cccc(CO)n1)c1ccc(Br)cc1Cl ZINC000843111622 661368732 /nfs/dbraw/zinc/36/87/32/661368732.db2.gz HOJAHUWAOSCJCL-MRXNPFEDSA-N 1 0 385.689 2.987 20 0 GFADRO Cc1ccc([C@H](O)C[NH2+]C[C@H](O)COc2ccc(Br)cc2)cc1 ZINC000843112917 661368997 /nfs/dbraw/zinc/36/89/97/661368997.db2.gz XJRIOEIITAWSEM-FUHWJXTLSA-N 1 0 380.282 2.820 20 0 GFADRO CN(Cc1ccccc1)C[C@H](O)C[NH2+]C[C@@H](O)c1cccc(Br)c1 ZINC000843113290 661369006 /nfs/dbraw/zinc/36/90/06/661369006.db2.gz REPMXDGXLUGQAW-RTBURBONSA-N 1 0 393.325 2.565 20 0 GFADRO O=S(=O)(c1ccc(-c2nc(CC3CC[NH2+]CC3)no2)cc1)C(F)(F)F ZINC000843132497 661370422 /nfs/dbraw/zinc/37/04/22/661370422.db2.gz BFZWWSXXQIGVAW-UHFFFAOYSA-N 1 0 375.372 2.572 20 0 GFADRO CC(C)[C@H]([NH3+])c1noc([C@H](C)N2C(=O)c3ccc(Br)cc3C2=O)n1 ZINC000843151813 661371160 /nfs/dbraw/zinc/37/11/60/661371160.db2.gz PYOZLRIWONBKOH-UFBFGSQYSA-N 1 0 393.241 2.845 20 0 GFADRO F[C@@]1(c2nc(Cc3cc(Br)c4c(c3)OCCCO4)no2)CC[NH2+]C1 ZINC000843203721 661372477 /nfs/dbraw/zinc/37/24/77/661372477.db2.gz XESGNSDPQOMRDC-INIZCTEOSA-N 1 0 398.232 2.742 20 0 GFADRO COc1nc(-c2noc(CC[C@@H]([NH3+])c3ccccc3)n2)ncc1Br ZINC000843212338 661373196 /nfs/dbraw/zinc/37/31/96/661373196.db2.gz GCZSKHORZHVFPF-GFCCVEGCSA-N 1 0 390.241 2.930 20 0 GFADRO O=C(NCc1noc([C@@H]2CC23CC[NH2+]CC3)n1)c1ccc(Br)cc1 ZINC000843230011 661374544 /nfs/dbraw/zinc/37/45/44/661374544.db2.gz HHNFALPWYBTHOO-ZDUSSCGKSA-N 1 0 391.269 2.619 20 0 GFADRO C[C@@H](NC(=O)C(=O)NCCCCCC[NH3+])c1cc(F)c(Cl)cc1Cl ZINC000843260445 661374733 /nfs/dbraw/zinc/37/47/33/661374733.db2.gz YALDHDDENFIZCM-SNVBAGLBSA-N 1 0 378.275 2.945 20 0 GFADRO Cc1cc(NC(=O)CO[C@H]2CCC[NH2+]C2)n(-c2cccc(Br)c2)n1 ZINC000843389184 661378977 /nfs/dbraw/zinc/37/89/77/661378977.db2.gz LSDXJFQCABHGTO-HNNXBMFYSA-N 1 0 393.285 2.650 20 0 GFADRO O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)Nc1cccc(Cl)c1SC(F)F ZINC000843419140 661380879 /nfs/dbraw/zinc/38/08/79/661380879.db2.gz CZZAHKSJVOTDNO-NSHDSACASA-N 1 0 377.844 2.852 20 0 GFADRO O=C(COc1ccc(F)cc1Br)Nc1cnn(C2CC[NH2+]CC2)c1 ZINC000843455271 661382123 /nfs/dbraw/zinc/38/21/23/661382123.db2.gz AHOPEFVUADWHQC-UHFFFAOYSA-N 1 0 397.248 2.727 20 0 GFADRO C[C@@H](NC(=O)c1ccccc1N(C)C(=O)c1ccc(Br)o1)[C@H](C)[NH3+] ZINC000843487462 661383112 /nfs/dbraw/zinc/38/31/12/661383112.db2.gz PZYJIVWOXMACSX-WDEREUQCSA-N 1 0 394.269 2.784 20 0 GFADRO COC[C@@]1(C)CC[N@H+](CN2CC(c3ccc(Br)cc3)=CC2=O)C1 ZINC000844710392 661436422 /nfs/dbraw/zinc/43/64/22/661436422.db2.gz ZCOZONRSHYGKPZ-SFHVURJKSA-N 1 0 379.298 2.991 20 0 GFADRO Brc1cnn(CN2CCO[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000844733549 661437554 /nfs/dbraw/zinc/43/75/54/661437554.db2.gz YWIHHXPRPAUDFL-ROUUACIJSA-N 1 0 391.313 2.578 20 0 GFADRO C[NH+]1CCN(CCCOc2ccc(NC(=O)[C@@H]3CC3(Cl)Cl)cc2)CC1 ZINC000844849881 661444718 /nfs/dbraw/zinc/44/47/18/661444718.db2.gz LIBLSFZAJLRADR-INIZCTEOSA-N 1 0 386.323 2.835 20 0 GFADRO O=C(NCCC[C@H]1CC1(Cl)Cl)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000844976671 661451970 /nfs/dbraw/zinc/45/19/70/661451970.db2.gz LWFHARHXBPTTKP-ZFWWWQNUSA-N 1 0 378.344 2.903 20 0 GFADRO C[C@]1(CCNC(=O)N2CCC(CC[NH+]3CCOCC3)CC2)C[C@]1(F)Cl ZINC000845403083 661469292 /nfs/dbraw/zinc/46/92/92/661469292.db2.gz UYYIXAJHZOPFGC-ZWKOTPCHSA-N 1 0 375.916 2.835 20 0 GFADRO C[C@@]1(CCNC(=O)N2CCC(OCC[NH+]3CCCC3)CC2)C[C@@]1(F)Cl ZINC000845410129 661469435 /nfs/dbraw/zinc/46/94/35/661469435.db2.gz LDWOKEPJFIFWSW-MSOLQXFVSA-N 1 0 375.916 2.978 20 0 GFADRO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)NCCC[C@@H]2CC2(Cl)Cl)CC1 ZINC000845668689 661486862 /nfs/dbraw/zinc/48/68/62/661486862.db2.gz YNDCFMFFWJJVKM-CVEARBPZSA-N 1 0 391.387 2.772 20 0 GFADRO C[C@@H]1[C@H](COC(=O)CSc2nncn2-c2cccc(Cl)c2)CC[N@@H+]1C ZINC000845811169 661498207 /nfs/dbraw/zinc/49/82/07/661498207.db2.gz PXDDBNBLIRMWAS-OLZOCXBDSA-N 1 0 380.901 2.896 20 0 GFADRO C[C@@]1(CC[NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)C[C@]1(F)Cl ZINC000846069542 661529436 /nfs/dbraw/zinc/52/94/36/661529436.db2.gz FEHXVWNYQXVONU-CHWSQXEVSA-N 1 0 399.713 2.891 20 0 GFADRO CN(CC[NH+]1CCCCC1)C(=O)COc1ccc(C=O)cc1Br ZINC000846614215 661559600 /nfs/dbraw/zinc/55/96/00/661559600.db2.gz MMWACTSZGDAMAJ-UHFFFAOYSA-N 1 0 383.286 2.585 20 0 GFADRO Cc1cc(C(=O)NOC2CC[NH+](C)CC2)nn1-c1ccc(Br)cc1 ZINC000846648312 661560748 /nfs/dbraw/zinc/56/07/48/661560748.db2.gz WDMACZPCLDOBTI-UHFFFAOYSA-N 1 0 393.285 2.699 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)NCC[C@@]1(C)C[C@]1(F)Cl ZINC000846722694 661562545 /nfs/dbraw/zinc/56/25/45/661562545.db2.gz UUYHQUCJGAYQMT-FHLIZLRMSA-N 1 0 375.916 2.578 20 0 GFADRO C[NH+](C)C1(CNC(=O)C(=O)NCC[C@@]2(C)C[C@]2(F)Cl)CCCCCC1 ZINC000846724043 661562851 /nfs/dbraw/zinc/56/28/51/661562851.db2.gz PWYTZNCOKLYKPE-FUHWJXTLSA-N 1 0 375.916 2.578 20 0 GFADRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)NCC[C@@]1(C)C[C@@]1(F)Cl ZINC000846727314 661563214 /nfs/dbraw/zinc/56/32/14/661563214.db2.gz SKDDSWKZRZIDBU-JLSDUUJJSA-N 1 0 375.916 2.578 20 0 GFADRO CC1(C)C(=O)N[C@@H]1C1CC[NH+](C[C@@H](O)c2ccccc2Br)CC1 ZINC000846930943 661570964 /nfs/dbraw/zinc/57/09/64/661570964.db2.gz WDOGXTAWZSNYLG-HZPDHXFCSA-N 1 0 381.314 2.719 20 0 GFADRO C[C@H](CNC(=O)c1ccc(Cl)nc1C(F)(F)F)N1C[C@@H](C)O[C@@H](C)C1 ZINC000847177818 661579678 /nfs/dbraw/zinc/57/96/78/661579678.db2.gz LAADWFOOOVEJJA-MXWKQRLJSA-N 1 0 379.810 2.981 20 0 GFADRO Cc1cc(Br)nc(NC(=O)N2CCC[C@H]([NH+]3CCOCC3)CC2)c1 ZINC000847194039 661581286 /nfs/dbraw/zinc/58/12/86/661581286.db2.gz SBXQKJMUEKLZTR-AWEZNQCLSA-N 1 0 397.317 2.871 20 0 GFADRO Cc1nc(Cl)c(Cl)cc1C(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000847630342 661602382 /nfs/dbraw/zinc/60/23/82/661602382.db2.gz GUHYOZRKHZTRBC-BLLLJJGKSA-N 1 0 385.339 2.795 20 0 GFADRO C[N@@H+]1CC[C@@H](CCOC(=O)Cc2cc3c(cc2Br)OCCO3)C1 ZINC000847821174 661611914 /nfs/dbraw/zinc/61/19/14/661611914.db2.gz AQQVEVSVTMWUPP-LBPRGKRZSA-N 1 0 384.270 2.648 20 0 GFADRO O=C(Nc1cccc(C[N@H+]2CC[C@H](O)C2)c1)c1nc(F)ccc1Br ZINC000848107914 661625573 /nfs/dbraw/zinc/62/55/73/661625573.db2.gz URQBXHYRLVBCEK-ZDUSSCGKSA-N 1 0 394.244 2.802 20 0 GFADRO O=C([C@@H]1C[C@@]12CCC[NH2+]C2)N1CCO[C@H](c2ccccc2Br)C1 ZINC000848398250 661645851 /nfs/dbraw/zinc/64/58/51/661645851.db2.gz RYVBGTSBEOYYTR-QILLFSRXSA-N 1 0 379.298 2.739 20 0 GFADRO Cc1nn(-c2cccc(Br)c2)cc1C[NH2+]C[C@H](O)C(F)(F)F ZINC000848528902 661661632 /nfs/dbraw/zinc/66/16/32/661661632.db2.gz JLVIFSFTCRJPCL-ZDUSSCGKSA-N 1 0 378.192 2.956 20 0 GFADRO Cn1c(Cl)ncc1C[NH2+]C[C@@H](CO)Cc1ccc(F)c(Br)c1 ZINC000848555257 661664043 /nfs/dbraw/zinc/66/40/43/661664043.db2.gz NFSGZUMXZYBGFS-NSHDSACASA-N 1 0 390.684 2.916 20 0 GFADRO COc1ccc(CCNC(=[NH2+])NC[C@H](O)c2cccc(Br)c2)cc1 ZINC000848986893 661690011 /nfs/dbraw/zinc/69/00/11/661690011.db2.gz JQNDXOLMPKKZDU-KRWDZBQOSA-N 1 0 392.297 2.848 20 0 GFADRO [NH2+]=C(NCCc1ccccc1)NC[C@H](CO)Cc1ccccc1Br ZINC000849103997 661691912 /nfs/dbraw/zinc/69/19/12/661691912.db2.gz IUZLNPHQAAELFR-MRXNPFEDSA-N 1 0 390.325 2.957 20 0 GFADRO COC[C@H](CC[NH2+]C[C@](C)(O)c1ccc(Br)cc1Cl)OC ZINC000849327490 661706219 /nfs/dbraw/zinc/70/62/19/661706219.db2.gz NCNYPFIKGPBDHY-WFASDCNBSA-N 1 0 380.710 2.951 20 0 GFADRO O=C1N[C@@H](c2ccccc2Br)C(=O)N1C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000849351153 661708211 /nfs/dbraw/zinc/70/82/11/661708211.db2.gz CLLLVJABMXYJET-NHYWBVRUSA-N 1 0 378.270 2.526 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@@H](N2C(=O)N[C@@H](c3ccccc3Br)C2=O)C1 ZINC000849356010 661709352 /nfs/dbraw/zinc/70/93/52/661709352.db2.gz PXSWXRPOLBCJER-JMSVASOKSA-N 1 0 380.286 2.915 20 0 GFADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@H]2C(=O)Nc2cc(Cl)c(N)c(Cl)c2)cn1 ZINC000849486425 661733260 /nfs/dbraw/zinc/73/32/60/661733260.db2.gz KNHSWDFDACFXEK-OLZOCXBDSA-N 1 0 382.295 2.983 20 0 GFADRO Cn1cc([C@H]2C[N@H+](C)CC[C@H]2C(=O)Nc2ccccc2Br)cn1 ZINC000849480757 661733523 /nfs/dbraw/zinc/73/35/23/661733523.db2.gz GGVSFQYRJQBVDM-ZIAGYGMSSA-N 1 0 377.286 2.857 20 0 GFADRO Cn1cc([C@H]2C[N@H+](C)CC[C@H]2C(=O)NCc2cccc(Br)c2)cn1 ZINC000849497096 661733722 /nfs/dbraw/zinc/73/37/22/661733722.db2.gz MVJRUUGHMCXMPP-IAGOWNOFSA-N 1 0 391.313 2.534 20 0 GFADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@H]2C(=O)NCc2ccc(Br)cc2)cn1 ZINC000849504873 661734204 /nfs/dbraw/zinc/73/42/04/661734204.db2.gz FOHRXKXLTFCQRT-SJORKVTESA-N 1 0 391.313 2.534 20 0 GFADRO Cc1nc(Br)ccc1NC(=O)[C@H]1CC[N@@H+](C)C[C@H]1c1cnn(C)c1 ZINC000849574036 661734608 /nfs/dbraw/zinc/73/46/08/661734608.db2.gz VOZGBZKFMSTEKS-KBPBESRZSA-N 1 0 392.301 2.560 20 0 GFADRO CC(C)[NH+]1CCC(NC(=O)COc2cc(Br)ccc2C=O)CC1 ZINC000849993937 661760852 /nfs/dbraw/zinc/76/08/52/661760852.db2.gz NGNUMMUJXLTQTA-UHFFFAOYSA-N 1 0 383.286 2.629 20 0 GFADRO C[C@@H]([NH2+]Cc1cc(C(F)(F)F)nn1C)c1ccc(NS(C)(=O)=O)cc1 ZINC000850065150 661764257 /nfs/dbraw/zinc/76/42/57/661764257.db2.gz BQFJQCXSQADDGV-SNVBAGLBSA-N 1 0 376.404 2.661 20 0 GFADRO COc1sc(C[NH2+]CCS(=O)(=O)CC(F)(F)F)cc1Br ZINC000850364350 661772255 /nfs/dbraw/zinc/77/22/55/661772255.db2.gz BTTWPBUGIYBNOS-UHFFFAOYSA-N 1 0 396.250 2.586 20 0 GFADRO CS[C@H](CO)[C@H](C)[NH2+][C@H]1CCN(C(=O)C(F)(F)F)Cc2ccccc21 ZINC000850435953 661776139 /nfs/dbraw/zinc/77/61/39/661776139.db2.gz GNXUKRUWKUYJMZ-TUKIKUTGSA-N 1 0 376.444 2.724 20 0 GFADRO C[C@H]([NH2+]CC[S@](=O)CC(F)(F)F)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000850490732 661778433 /nfs/dbraw/zinc/77/84/33/661778433.db2.gz FZYNFSVHLWWKJF-KLVQOETNSA-N 1 0 393.399 2.645 20 0 GFADRO CN1CCO[C@H]([C@H]([NH2+]CC[S@@](=O)CC(F)(F)F)c2ccc(Cl)cc2)C1 ZINC000850497428 661779622 /nfs/dbraw/zinc/77/96/22/661779622.db2.gz USKVPFKNJVIUDH-SKHRDNQBSA-N 1 0 398.878 2.612 20 0 GFADRO C[C@@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]CCS(=O)(=O)CC(F)(F)F ZINC000850518755 661780578 /nfs/dbraw/zinc/78/05/78/661780578.db2.gz DKVDYHZSZPNNFL-JTQLQIEISA-N 1 0 386.823 2.624 20 0 GFADRO CCCN1CC[C@H]([NH2+][C@@H](C)c2ccc(S(=O)(=O)C(F)F)c(OC)c2)C1 ZINC000850555738 661781590 /nfs/dbraw/zinc/78/15/90/661781590.db2.gz PUFTXFNZFKLCHP-JSGCOSHPSA-N 1 0 376.469 2.826 20 0 GFADRO CN1CCN(Cc2ccccc2)[C@H](C[NH2+][C@@H]2CC[C@H]3SCCS[C@H]23)C1 ZINC000850576085 661781794 /nfs/dbraw/zinc/78/17/94/661781794.db2.gz HGLULEZOXGMSNC-UAFMIMERSA-N 1 0 377.623 2.772 20 0 GFADRO O=S(=O)(c1c(Cl)ccnc1Cl)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000850589222 661782449 /nfs/dbraw/zinc/78/24/49/661782449.db2.gz JWPOYLFYZKZRJJ-GFCCVEGCSA-N 1 0 378.325 2.789 20 0 GFADRO CN(CC(F)(F)Br)C(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000850764977 661790729 /nfs/dbraw/zinc/79/07/29/661790729.db2.gz SKIFAMPHBYKTNR-LBPRGKRZSA-N 1 0 378.217 2.799 20 0 GFADRO [NH3+]C[C@H](NC(=O)c1cccc(S(=O)(=O)C(F)(F)F)c1)C1CCCCC1 ZINC000851633607 661826940 /nfs/dbraw/zinc/82/69/40/661826940.db2.gz ORGYDGSLFXAIFE-AWEZNQCLSA-N 1 0 378.416 2.618 20 0 GFADRO C[C@]1(C(=O)Nc2cccc(OCC[NH3+])c2)CC1(Br)Br ZINC000851632206 661826963 /nfs/dbraw/zinc/82/69/63/661826963.db2.gz NPLGWPOYMFCUCW-GFCCVEGCSA-N 1 0 392.091 2.859 20 0 GFADRO C[C@@]1(C(=O)N2C[C@@H]([NH3+])Cc3ccccc32)CC1(Br)Br ZINC000851640639 661827463 /nfs/dbraw/zinc/82/74/63/661827463.db2.gz AFOOHIOPZQPVAL-GWCFXTLKSA-N 1 0 388.103 2.799 20 0 GFADRO O=C(N[C@@H]1CC[C@H]2SCCS[C@H]12)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000851658605 661827736 /nfs/dbraw/zinc/82/77/36/661827736.db2.gz HGVPXILYPAZFRY-DUQPFJRNSA-N 1 0 377.579 2.811 20 0 GFADRO COc1cccc(C[N@H+](CCn2cnc(Br)n2)C[C@H]2CCCO2)c1 ZINC000851734740 661829579 /nfs/dbraw/zinc/82/95/79/661829579.db2.gz MEPCBIUGNUUYSL-MRXNPFEDSA-N 1 0 395.301 2.730 20 0 GFADRO NS(=O)(=O)c1cc(C[N@@H+]2CCC[C@@H]2Cc2ccc(Br)cc2)co1 ZINC000851735996 661829781 /nfs/dbraw/zinc/82/97/81/661829781.db2.gz FLZNRNHSQKRUGW-OAHLLOKOSA-N 1 0 399.310 2.897 20 0 GFADRO CCOP(=O)(OCC)[C@H](O)C[NH+]1CCN(c2cccc(F)c2F)CC1 ZINC000851773229 661831378 /nfs/dbraw/zinc/83/13/78/661831378.db2.gz ROXPBSKWYPLDFM-HNNXBMFYSA-N 1 0 378.356 2.671 20 0 GFADRO C[C@@H]1CN=C(N2CC[NH+](CC[C@H]3Sc4ccccc4NC3=O)CC2)S1 ZINC000851852531 661839062 /nfs/dbraw/zinc/83/90/62/661839062.db2.gz NXDNNXFOZIOSCU-CZUORRHYSA-N 1 0 376.551 2.598 20 0 GFADRO CC[C@@H]1Oc2cc([C@H](C)[NH2+]CCn3cnc(Br)n3)ccc2NC1=O ZINC000851904422 661845531 /nfs/dbraw/zinc/84/55/31/661845531.db2.gz WLQSPKHUBGJXBQ-GWCFXTLKSA-N 1 0 394.273 2.501 20 0 GFADRO CCOP(=O)(OCC)[C@H](O)C[NH+]1CCC([C@](C)(O)C(F)(F)F)CC1 ZINC000851942816 661846709 /nfs/dbraw/zinc/84/67/09/661846709.db2.gz VNGVNAJPZNBFHF-STQMWFEESA-N 1 0 377.340 2.596 20 0 GFADRO COC(=O)N1CCC[C@@H]([C@H](C)[NH2+]Cc2cc(Br)cnc2OC)C1 ZINC000851950432 661846858 /nfs/dbraw/zinc/84/68/58/661846858.db2.gz PBEUNKARIAKLLR-NWDGAFQWSA-N 1 0 386.290 2.809 20 0 GFADRO CC1(C)OC[C@@H](CC[N@@H+]2CCCN(c3nnc(C(F)(F)F)s3)CC2)O1 ZINC000851973711 661847560 /nfs/dbraw/zinc/84/75/60/661847560.db2.gz IIZWOFGKOVEYSM-LLVKDONJSA-N 1 0 380.436 2.611 20 0 GFADRO Fc1ccc(C[N@H+](CCn2cnc(Br)n2)C2CCOCC2)cc1 ZINC000851984252 661848023 /nfs/dbraw/zinc/84/80/23/661848023.db2.gz IWYOOZIODKGYHP-UHFFFAOYSA-N 1 0 383.265 2.861 20 0 GFADRO C[N@H+](C[C@H](O)c1cccc(Br)c1)[C@@H]1C[C@@H]2CCCC[C@H]2NC1=O ZINC000852171714 661855678 /nfs/dbraw/zinc/85/56/78/661855678.db2.gz LPNGHBBDLXAQCC-DXEWXGHRSA-N 1 0 381.314 2.862 20 0 GFADRO C[C@](O)(C[N@@H+]1CC[C@@H](Cn2ccnn2)C1)c1ccc(Br)cc1Cl ZINC000852314483 661860214 /nfs/dbraw/zinc/86/02/14/661860214.db2.gz UACWRGDTSNMWHR-WBMJQRKESA-N 1 0 399.720 2.924 20 0 GFADRO Ic1cnnn1C1CC[NH+](CCCc2ccncc2)CC1 ZINC000852532797 661866546 /nfs/dbraw/zinc/86/65/46/661866546.db2.gz PYKQZGRFJARLIH-UHFFFAOYSA-N 1 0 397.264 2.547 20 0 GFADRO COC(=O)NC1CC[NH+](C[C@@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000852770305 661874207 /nfs/dbraw/zinc/87/42/07/661874207.db2.gz JZCNOAKPZSWDPT-GFCCVEGCSA-N 1 0 377.268 2.554 20 0 GFADRO Cc1nc(-c2ccc(CCNC(=O)[C@H]3[NH2+]CC34CCOCC4)s2)cs1 ZINC000852777735 661874340 /nfs/dbraw/zinc/87/43/40/661874340.db2.gz WCISUJFQASBDIJ-MRXNPFEDSA-N 1 0 377.535 2.607 20 0 GFADRO CCCN(C(=O)c1cnn(-c2ccccc2)c1Br)[C@H]1CC[NH2+]C1 ZINC000852796808 661874508 /nfs/dbraw/zinc/87/45/08/661874508.db2.gz YCUXEKGEPRPMIK-AWEZNQCLSA-N 1 0 377.286 2.849 20 0 GFADRO O=C(NC[C@H](O)c1ccc(Cl)cc1Cl)c1cc(C2CC[NH2+]CC2)no1 ZINC000852807643 661874923 /nfs/dbraw/zinc/87/49/23/661874923.db2.gz WZKDBMWQXBRDCH-HNNXBMFYSA-N 1 0 384.263 2.912 20 0 GFADRO O=C(C=C1CC[NH2+]CC1)NC[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000852862024 661875894 /nfs/dbraw/zinc/87/58/94/661875894.db2.gz QGHTWKQHENPGCT-OAHLLOKOSA-N 1 0 378.314 2.701 20 0 GFADRO C[C@H](NC(=O)C=C1CC[NH2+]CC1)c1nc(-c2ccc(Br)cc2)no1 ZINC000852854096 661875945 /nfs/dbraw/zinc/87/59/45/661875945.db2.gz ZEUMDRWHIIEQHH-NSHDSACASA-N 1 0 391.269 2.986 20 0 GFADRO CN(C[C@@H](O)C[NH2+]C[C@H](O)c1ccc(Cl)c(Cl)c1)C(=O)OC(C)(C)C ZINC000853115980 661882690 /nfs/dbraw/zinc/88/26/90/661882690.db2.gz FWMBAJJYJVIILM-WFASDCNBSA-N 1 0 393.311 2.844 20 0 GFADRO O[C@@H](C[NH2+][C@@H]1C[C@@H](N2CCOCC2)C12CCC2)c1cccc(Br)c1 ZINC000853115325 661882736 /nfs/dbraw/zinc/88/27/36/661882736.db2.gz WQSGLMYMAAZBHX-RCCFBDPRSA-N 1 0 395.341 2.716 20 0 GFADRO CN(CC(=O)O[C@H](C[NH+](C)C)c1cc(F)c(F)c(F)c1)[C@H]1CCSC1 ZINC000853214188 661885116 /nfs/dbraw/zinc/88/51/16/661885116.db2.gz XTTPJOGAZIKVDO-SWLSCSKDSA-N 1 0 376.444 2.687 20 0 GFADRO O=C(N1CCC[C@H]([C@H]2CCCC[N@@H+]2Cn2cc[nH]c2=S)C1)C(F)(F)F ZINC000853547603 661891968 /nfs/dbraw/zinc/89/19/68/661891968.db2.gz VMUNFRQMQBXGEE-QWHCGFSZSA-N 1 0 376.448 2.785 20 0 GFADRO Cn1nc(Br)c2c1ncnc2NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000853999262 661910809 /nfs/dbraw/zinc/91/08/09/661910809.db2.gz IVLWXDJJSFFKRD-LBPRGKRZSA-N 1 0 379.306 2.660 20 0 GFADRO Brc1csc(Cc2noc(-c3c[nH]nc3[C@H]3CC[NH2+]C3)n2)c1 ZINC000854155007 661916818 /nfs/dbraw/zinc/91/68/18/661916818.db2.gz NUNUOTQFVPBHQR-QMMMGPOBSA-N 1 0 380.271 2.951 20 0 GFADRO CN(C[C@@H](O)c1ccccc1Br)C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000854313647 661924251 /nfs/dbraw/zinc/92/42/51/661924251.db2.gz ZKKPEDGUYWLOER-XJKSGUPXSA-N 1 0 398.345 2.997 20 0 GFADRO CN(C[C@@H](O)c1ccccc1Br)C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000854313645 661924498 /nfs/dbraw/zinc/92/44/98/661924498.db2.gz ZKKPEDGUYWLOER-CZUORRHYSA-N 1 0 398.345 2.997 20 0 GFADRO Cc1sc(Br)nc1C(=O)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000854329762 661924701 /nfs/dbraw/zinc/92/47/01/661924701.db2.gz CMUXMUODGWMFCF-GFCCVEGCSA-N 1 0 388.331 2.541 20 0 GFADRO C[NH+](C)CCOc1ccc(/C=C\C(=O)NCc2cc(Br)no2)cc1 ZINC000854706829 661949079 /nfs/dbraw/zinc/94/90/79/661949079.db2.gz WAJUTMQBPRAPDW-YVMONPNESA-N 1 0 394.269 2.707 20 0 GFADRO CC[C@@H](C)[NH+]1CCN(C(=O)[C@]2(C)CC2(Br)Br)CC1 ZINC000854850912 661957112 /nfs/dbraw/zinc/95/71/12/661957112.db2.gz PDFFPIDZWFMQGX-PWSUYJOCSA-N 1 0 382.140 2.825 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)[C@@]1(C)CC1(Br)Br ZINC000855162255 661974244 /nfs/dbraw/zinc/97/42/44/661974244.db2.gz IEASNJODYOUOQU-BXKDBHETSA-N 1 0 382.140 2.872 20 0 GFADRO Cc1[nH]c(=S)sc1CC(=O)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000855527766 661996763 /nfs/dbraw/zinc/99/67/63/661996763.db2.gz QVISKMYDBZQDQR-UHFFFAOYSA-N 1 0 376.551 2.706 20 0 GFADRO CCN(C[C@H]1CC[N@H+](CCS(=O)(=O)C2CCCCC2)C1)CC(F)(F)F ZINC000856727449 662038967 /nfs/dbraw/zinc/03/89/67/662038967.db2.gz NHIJQWUOKLHBCL-OAHLLOKOSA-N 1 0 384.508 2.940 20 0 GFADRO CC(C)[NH2+][C@@H]1CCCN(C(=O)c2cccc(S(=O)(=O)C(F)(F)F)c2)C1 ZINC000857089723 662063304 /nfs/dbraw/zinc/06/33/04/662063304.db2.gz CBCIQSLORLYUBH-CYBMUJFWSA-N 1 0 378.416 2.583 20 0 GFADRO CC[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)NCC[C@H](C)[NH3+])CC1 ZINC000857112742 662063791 /nfs/dbraw/zinc/06/37/91/662063791.db2.gz HRAYUGILBCTQMH-YOEHRIQHSA-N 1 0 397.361 2.965 20 0 GFADRO CCCN(CC[NH+]1CCCCC1)C(=O)c1c(Br)nc2n1CCOC2 ZINC000857256344 662070552 /nfs/dbraw/zinc/07/05/52/662070552.db2.gz IUZVXKAGFXBBBY-UHFFFAOYSA-N 1 0 399.333 2.514 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)CCN2C(=S)N=NC2c2cccs2)C1 ZINC000857302479 662072333 /nfs/dbraw/zinc/07/23/33/662072333.db2.gz SFVAGDOKVBEKHP-LBPRGKRZSA-N 1 0 379.555 2.674 20 0 GFADRO O=C(NCC1CC[NH+](CC2CC2)CC1)c1cccnc1I ZINC000857341303 662075207 /nfs/dbraw/zinc/07/52/07/662075207.db2.gz WINABKLDSVJFBU-UHFFFAOYSA-N 1 0 399.276 2.538 20 0 GFADRO C[C@H]([NH2+]Cc1cn(C)nc1Br)[C@@H](c1ccccc1)N1CCOCC1 ZINC000858086155 662098036 /nfs/dbraw/zinc/09/80/36/662098036.db2.gz CDARVSUMFUDIHG-YOEHRIQHSA-N 1 0 393.329 2.734 20 0 GFADRO COc1cc(C[NH2+]CCS(=O)(=O)CC(F)(F)F)cc(C(F)(F)F)c1 ZINC000858188420 662104074 /nfs/dbraw/zinc/10/40/74/662104074.db2.gz DJSCSHDYNTVXLZ-UHFFFAOYSA-N 1 0 379.322 2.781 20 0 GFADRO [NH3+]C[C@H]1CN(S(=O)(=O)c2c(Cl)ccnc2Cl)CC[C@H]1C(F)(F)F ZINC000858622820 662116773 /nfs/dbraw/zinc/11/67/73/662116773.db2.gz AHHOUPAFZYYYFY-JGVFFNPUSA-N 1 0 392.230 2.536 20 0 GFADRO C[NH+]1CCN(c2cc(-c3noc([C@H]4C[C@@]4(C)Br)n3)ccn2)CC1 ZINC000858798396 662123606 /nfs/dbraw/zinc/12/36/06/662123606.db2.gz VRTFXOGQBWDDLX-MLGOLLRUSA-N 1 0 378.274 2.524 20 0 GFADRO O=C(NC[C@H](O)c1cccc(Br)c1)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000858872198 662125370 /nfs/dbraw/zinc/12/53/70/662125370.db2.gz RBCBSKKFAOPVPB-IRXDYDNUSA-N 1 0 396.329 2.799 20 0 GFADRO CC[NH+](CC)CCCNS(=O)(=O)c1ccc(NC(=O)OC)c(Cl)c1 ZINC000858876237 662125632 /nfs/dbraw/zinc/12/56/32/662125632.db2.gz UKQIKLUHWCWINC-UHFFFAOYSA-N 1 0 377.894 2.529 20 0 GFADRO COC(=O)Nc1ccc(S(=O)(=O)NC[C@H](C)C[NH+]2CCCC2)cc1Cl ZINC000858909544 662127170 /nfs/dbraw/zinc/12/71/70/662127170.db2.gz DVDAVEYTKQQPHD-LBPRGKRZSA-N 1 0 389.905 2.529 20 0 GFADRO CC[N@@H+]1CCCC[C@H]1CNS(=O)(=O)c1ccc(NC(=O)OC)c(Cl)c1 ZINC000858971767 662129915 /nfs/dbraw/zinc/12/99/15/662129915.db2.gz GCWRKNXDEGIMEJ-LBPRGKRZSA-N 1 0 389.905 2.671 20 0 GFADRO C[NH+](C)C1CCN(CCNC(=O)OCc2ccc(Br)cc2)CC1 ZINC000859050397 662134017 /nfs/dbraw/zinc/13/40/17/662134017.db2.gz KQBSHTDISBFOJV-UHFFFAOYSA-N 1 0 384.318 2.701 20 0 GFADRO COCCC[NH+]1CCC(NC(=O)c2ccc(SC(F)(F)F)nc2)CC1 ZINC000859114284 662138379 /nfs/dbraw/zinc/13/83/79/662138379.db2.gz CHRSWRLKKOHQEK-UHFFFAOYSA-N 1 0 377.432 2.924 20 0 GFADRO C[C@@H](CNC(=O)/C=C\c1csc(C(F)(F)F)c1)C[NH+]1CCN(C)CC1 ZINC000859361947 662156606 /nfs/dbraw/zinc/15/66/06/662156606.db2.gz UHRLRHXYUDYMFB-SCOBNMCVSA-N 1 0 375.460 2.780 20 0 GFADRO CCOP(=O)(OCC)[C@H](O)C[N@@H+]1CC[C@H](C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000859610327 662169391 /nfs/dbraw/zinc/16/93/91/662169391.db2.gz HEYYQOWTQUDCEZ-KKUMJFAQSA-N 1 0 379.434 2.871 20 0 GFADRO C[C@@H]1CC[C@H](NC(=O)Nc2cnc(Br)c(Br)c2)C[NH2+]1 ZINC000859660771 662171475 /nfs/dbraw/zinc/17/14/75/662171475.db2.gz STPRVGCGFSAFKF-SFYZADRCSA-N 1 0 392.095 2.869 20 0 GFADRO COc1ccc(Br)cc1CC(=O)OC[C@@]1(C)C[C@H](OC)C[N@@H+]1C ZINC000861347525 662241437 /nfs/dbraw/zinc/24/14/37/662241437.db2.gz PKSJTTDZIXSSDP-WMLDXEAASA-N 1 0 386.286 2.653 20 0 GFADRO CO[C@H]1C[N@H+](C)[C@](C)(COC(=O)c2c(C)nc3ccc(Br)cn32)C1 ZINC000861350755 662241776 /nfs/dbraw/zinc/24/17/76/662241776.db2.gz FPIJVPQPZYZMBM-DYVFJYSZSA-N 1 0 396.285 2.671 20 0 GFADRO CO[C@@H]1C[N@H+](C)[C@](C)(COC(=O)[C@@H]2CCOc3ccc(Br)cc32)C1 ZINC000861356698 662242318 /nfs/dbraw/zinc/24/23/18/662242318.db2.gz NWZYZZDUHBCKCH-IYOUNJFTSA-N 1 0 398.297 2.968 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cccc(SC(F)(F)F)c1 ZINC000861750058 662257430 /nfs/dbraw/zinc/25/74/30/662257430.db2.gz DHXMOYFXCHSYPF-LBPRGKRZSA-N 1 0 375.416 2.838 20 0 GFADRO CSc1ccc(/C=C\C(=O)NCC(=O)NCC[NH+]2CCCCCC2)s1 ZINC000861820871 662259788 /nfs/dbraw/zinc/25/97/88/662259788.db2.gz SIMPBKVLPRUVJR-VURMDHGXSA-N 1 0 381.567 2.592 20 0 GFADRO O=C1NC2(CO1)CC[NH+](Cc1c[nH]nc1-c1ccc(Br)s1)CC2 ZINC000862319341 662279686 /nfs/dbraw/zinc/27/96/86/662279686.db2.gz BRGHCRKMLVSJRD-UHFFFAOYSA-N 1 0 397.298 2.975 20 0 GFADRO CCOC(=O)[C@](C)(C[NH2+]Cc1cn(C)nc1Br)c1ccccc1 ZINC000862338145 662281663 /nfs/dbraw/zinc/28/16/63/662281663.db2.gz KQGDAXKHBNCSEO-QGZVFWFLSA-N 1 0 380.286 2.793 20 0 GFADRO COC(=O)C1=CC[C@H]([NH2+]Cc2cnn(-c3ccc(Br)cc3)c2)C1 ZINC000862465794 662288523 /nfs/dbraw/zinc/28/85/23/662288523.db2.gz UPNCVBKPRYMJLJ-HNNXBMFYSA-N 1 0 376.254 2.986 20 0 GFADRO CCOC(=O)C1=CC[C@@H]([NH2+]Cc2cc(Br)c3c(c2)OCCO3)C1 ZINC000862487690 662289025 /nfs/dbraw/zinc/28/90/25/662289025.db2.gz UTPUQXUMDLUSSC-CYBMUJFWSA-N 1 0 382.254 2.962 20 0 GFADRO CC(C)(C)OC(=O)N1CC(F)(F)C[C@@H]1C[N@@H+]1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC000862527224 662289817 /nfs/dbraw/zinc/28/98/17/662289817.db2.gz MIIBNIDYIDKHIW-VKALNGJKSA-N 1 0 378.485 2.617 20 0 GFADRO Cc1nc(Br)sc1C(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000862958596 662306540 /nfs/dbraw/zinc/30/65/40/662306540.db2.gz IEIVLMCZCMHEBI-UHFFFAOYSA-N 1 0 388.331 2.541 20 0 GFADRO O=C(NC[C@@H]1CC[N@@H+]1C1CCCC1)[C@H]1Cc2cc(Br)ccc2O1 ZINC000863033711 662309015 /nfs/dbraw/zinc/30/90/15/662309015.db2.gz XPUPYQSFVKJKSW-DOTOQJQBSA-N 1 0 379.298 2.886 20 0 GFADRO CC(C)(C[NH2+]C[C@@H](O)c1ccc(F)c(Br)c1)C(=O)N1CCCC1 ZINC000863583058 662339601 /nfs/dbraw/zinc/33/96/01/662339601.db2.gz MFNUEGVDPCMUJD-OAHLLOKOSA-N 1 0 387.293 2.860 20 0 GFADRO [NH3+][C@@H]1CC=C(c2nc(Cc3nc4ccc(Br)cc4c(=O)[nH]3)no2)C1 ZINC000863667628 662342781 /nfs/dbraw/zinc/34/27/81/662342781.db2.gz JWCUVWDPPGFXTE-SNVBAGLBSA-N 1 0 388.225 2.576 20 0 GFADRO C[N@H+](CC(=O)NC[C@@H]1CCN(c2ccc(Br)cc2)C1)C1CCC1 ZINC000863859959 662349200 /nfs/dbraw/zinc/34/92/00/662349200.db2.gz DBGQGRBQUPBHTL-AWEZNQCLSA-N 1 0 380.330 2.876 20 0 GFADRO C[NH+](C)CCOc1cc(NC(=O)c2cc(Br)cnc2F)ccn1 ZINC000863902471 662349563 /nfs/dbraw/zinc/34/95/63/662349563.db2.gz PWKQZVFVRKLFRJ-UHFFFAOYSA-N 1 0 383.221 2.571 20 0 GFADRO C[NH2+]C1(CNC(=O)c2cc(Br)nn2-c2ccc(C)cc2)CCC1 ZINC000863922672 662349834 /nfs/dbraw/zinc/34/98/34/662349834.db2.gz XTIPXAZHCIWXET-UHFFFAOYSA-N 1 0 377.286 2.815 20 0 GFADRO O[C@H](C[N@@H+]1CCC[C@H]1Cc1ccc(Br)cc1)CC1(O)CCOCC1 ZINC000863968656 662351566 /nfs/dbraw/zinc/35/15/66/662351566.db2.gz LNGMJKGUEISVHM-ROUUACIJSA-N 1 0 398.341 2.749 20 0 GFADRO CCC[NH+]1CCC(NC(=O)[C@H](NC(C)=O)c2cccc(Br)c2)CC1 ZINC000864578966 662380388 /nfs/dbraw/zinc/38/03/88/662380388.db2.gz QCBUGBRRVFTBBQ-QGZVFWFLSA-N 1 0 396.329 2.617 20 0 GFADRO C[C@H](CNC(=O)c1cc(Br)ncc1Br)[N@H+](C)C1CC1 ZINC000865142567 662401046 /nfs/dbraw/zinc/40/10/46/662401046.db2.gz HXZZRWVECHVETG-MRVPVSSYSA-N 1 0 391.107 2.819 20 0 GFADRO COCC[N@@H+]1CCC[C@H](NC(=O)[C@H]2[C@@H]3c4cc(Br)ccc4C[C@H]23)C1 ZINC000865195362 662403836 /nfs/dbraw/zinc/40/38/36/662403836.db2.gz JAHVJHBPOJMYCK-DZJNRPSUSA-N 1 0 393.325 2.562 20 0 GFADRO COc1ncc(Br)cc1C[NH2+]CCc1cccc(C(=O)N(C)C)c1 ZINC000865475929 662423730 /nfs/dbraw/zinc/42/37/30/662423730.db2.gz RFFGNRKJDYVXMO-UHFFFAOYSA-N 1 0 392.297 2.887 20 0 GFADRO COCC[C@H](C[NH2+][C@@H]1CC[C@H]2SCCS[C@@H]12)NC(=O)OC(C)(C)C ZINC000865512787 662426009 /nfs/dbraw/zinc/42/60/09/662426009.db2.gz DYEJIKLPALLLMX-TUVASFSCSA-N 1 0 376.588 2.885 20 0 GFADRO C[C@](O)(C[NH2+]Cc1ccc(Cl)c(S(N)(=O)=O)c1)c1cccc(Cl)c1 ZINC000865529766 662427223 /nfs/dbraw/zinc/42/72/23/662427223.db2.gz QKQBELRVAUDCAU-INIZCTEOSA-N 1 0 389.304 2.638 20 0 GFADRO COc1ncc(Br)cc1C[NH2+]CCOCC(F)(F)C(F)F ZINC000865544475 662428060 /nfs/dbraw/zinc/42/80/60/662428060.db2.gz UDDURKDBWQEVAR-UHFFFAOYSA-N 1 0 375.160 2.859 20 0 GFADRO COc1ncc(Br)cc1C[NH2+][C@@H]1CCCN(c2cc(C)nn2C)C1 ZINC000865544940 662428233 /nfs/dbraw/zinc/42/82/33/662428233.db2.gz MISUCKSPMKONKT-OAHLLOKOSA-N 1 0 394.317 2.653 20 0 GFADRO Cc1ccnc(C[NH2+]C2CCC(CS(C)(=O)=O)CC2)c1Br ZINC000865584003 662430544 /nfs/dbraw/zinc/43/05/44/662430544.db2.gz ZXSSDLJDMKVFMA-UHFFFAOYSA-N 1 0 375.332 2.846 20 0 GFADRO CCCn1cc(C[NH2+]C[C@@H](CO)Cc2ccc(F)c(Br)c2)nn1 ZINC000865592827 662431045 /nfs/dbraw/zinc/43/10/45/662431045.db2.gz BZFMZUAWYXRLLE-ZDUSSCGKSA-N 1 0 385.281 2.531 20 0 GFADRO O=C1OC[C@@]2(C[NH2+]Cc3cc4cc(Br)ccc4o3)COCCN12 ZINC000865769801 662442359 /nfs/dbraw/zinc/44/23/59/662442359.db2.gz DJTQIYNCKVKWSW-MRXNPFEDSA-N 1 0 381.226 2.506 20 0 GFADRO CCCC[N@H+](C)CC1CCN(C(=O)Cn2ccc(Br)cc2=O)CC1 ZINC000865791533 662443835 /nfs/dbraw/zinc/44/38/35/662443835.db2.gz CGQBJCIJAZOZTI-UHFFFAOYSA-N 1 0 398.345 2.581 20 0 GFADRO Brc1ccc2c(c1)[C@H]1[C@H]([NH2+]Cc3cn(C[C@@H]4CCOC4)nn3)[C@H]1C2 ZINC000865835512 662446592 /nfs/dbraw/zinc/44/65/92/662446592.db2.gz SUUWJKJIENBKDS-ZUHTVMMCSA-N 1 0 389.297 2.505 20 0 GFADRO CC[C@H](C[C@@H](C)O)[NH2+]Cc1cc(Br)ccc1O[C@H](C)C(=O)NC ZINC000865874169 662448970 /nfs/dbraw/zinc/44/89/70/662448970.db2.gz TZYHAYJSBFNEMQ-LALPHHSUSA-N 1 0 387.318 2.602 20 0 GFADRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)c3cc4c(ccnc4Cl)s3)CC2)C1 ZINC000865896162 662449832 /nfs/dbraw/zinc/44/98/32/662449832.db2.gz BFRNIGOLOJEUCS-CYBMUJFWSA-N 1 0 378.929 2.802 20 0 GFADRO C[C@@H]1CCc2ccc(F)cc2[C@@H]1[NH2+]C[C@@H](O)CS(=O)(=O)c1cccs1 ZINC000866310042 662467765 /nfs/dbraw/zinc/46/77/65/662467765.db2.gz SHXYXOVRALEHJX-CDHAZOANSA-N 1 0 383.510 2.935 20 0 GFADRO O=C(c1cc(F)c(Br)cc1F)N1CC[NH+](C2CCOCC2)CC1 ZINC000866321889 662467976 /nfs/dbraw/zinc/46/79/76/662467976.db2.gz UBVDOZOUXXSUHY-UHFFFAOYSA-N 1 0 389.240 2.664 20 0 GFADRO COC1CC[NH+](CCNC(=O)[C@@H]2[C@@H]3Cc4ccc(Br)cc4[C@@H]32)CC1 ZINC000866415765 662471384 /nfs/dbraw/zinc/47/13/84/662471384.db2.gz DQGPLELECWSVNN-FGTMMUONSA-N 1 0 393.325 2.562 20 0 GFADRO O=C1OC[C@]2(C[NH2+][C@H](c3ccc(Br)cc3)C3CC3)COCCN12 ZINC000866524917 662479011 /nfs/dbraw/zinc/47/90/11/662479011.db2.gz NMFWCQBYSYKTCS-RDJZCZTQSA-N 1 0 381.270 2.711 20 0 GFADRO C[C@@H]([NH2+][C@H]1COc2cccc(Br)c2C1)C1CCS(=O)(=O)CC1 ZINC000866594303 662482738 /nfs/dbraw/zinc/48/27/38/662482738.db2.gz CGEDTQUPCWZZPG-DGCLKSJQSA-N 1 0 388.327 2.556 20 0 GFADRO C[C@H](NC(=O)c1cnn(CC[NH+](C)C)c1)[C@@H](O)c1c(Cl)cccc1Cl ZINC000866789888 662498929 /nfs/dbraw/zinc/49/89/29/662498929.db2.gz OSOSNLVXWAECEI-MEDUHNTESA-N 1 0 385.295 2.603 20 0 GFADRO O=S(=O)(c1oc2ccccc2c1Br)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000866821835 662502122 /nfs/dbraw/zinc/50/21/22/662502122.db2.gz AXLPRQAHMUEZNN-RYUDHWBXSA-N 1 0 385.283 2.710 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2cc3nc(Cl)ncc3s2)[C@H](C)C1 ZINC000866864872 662504637 /nfs/dbraw/zinc/50/46/37/662504637.db2.gz YKSVZUAAAXMUOJ-PWSUYJOCSA-N 1 0 388.946 2.696 20 0 GFADRO CC(C)n1ncc(C(=O)N2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)c1Br ZINC000866864941 662504813 /nfs/dbraw/zinc/50/48/13/662504813.db2.gz DWFUDWPIFZEVSU-BPLDGKMQSA-N 1 0 399.333 2.550 20 0 GFADRO C[NH+](C)C[C@@](C)(O)CNC(=O)c1cnc(-c2ccccc2Br)s1 ZINC000866920854 662508717 /nfs/dbraw/zinc/50/87/17/662508717.db2.gz HVUPLCPWVNKCEV-INIZCTEOSA-N 1 0 398.326 2.615 20 0 GFADRO C[C@]1(CS(=O)(=O)NCC2CCN(c3cc[nH+]cc3)CC2)CC1(Cl)Cl ZINC000867051867 662519387 /nfs/dbraw/zinc/51/93/87/662519387.db2.gz GXHIMAOKPKJGCW-OAHLLOKOSA-N 1 0 392.352 2.801 20 0 GFADRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)c1cc(Br)cn2ccnc12 ZINC000867093487 662522281 /nfs/dbraw/zinc/52/22/81/662522281.db2.gz PZQRIQFOBATQHO-GFCCVEGCSA-N 1 0 379.302 2.899 20 0 GFADRO O=S(=O)(/C=C/c1ccc(Cl)cc1)N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000867400253 662547487 /nfs/dbraw/zinc/54/74/87/662547487.db2.gz XBXVHMQGQWLKJG-OVCLIPMQSA-N 1 0 384.929 2.827 20 0 GFADRO O=S(=O)(/C=C\c1ccc(Cl)cc1)N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000867400252 662547548 /nfs/dbraw/zinc/54/75/48/662547548.db2.gz XBXVHMQGQWLKJG-NVNXTCNLSA-N 1 0 384.929 2.827 20 0 GFADRO C[NH+]1CCC2(CCN(S(=O)(=O)c3ccc(Cl)nc3Cl)CC2)CC1 ZINC000867618480 662563242 /nfs/dbraw/zinc/56/32/42/662563242.db2.gz GIHYSZKJPXMYKR-UHFFFAOYSA-N 1 0 378.325 2.885 20 0 GFADRO Cc1ccc(C[N@@H+]2CC[C@@H](NS(=O)(=O)Cc3ccc(Cl)nc3)C2)cc1 ZINC000867688476 662567526 /nfs/dbraw/zinc/56/75/26/662567526.db2.gz FLAMNTPWKJYLTC-QGZVFWFLSA-N 1 0 379.913 2.737 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(S(=O)(=O)c3c(Cl)cccc3Br)CC[C@@H]21 ZINC000867809497 662578435 /nfs/dbraw/zinc/57/84/35/662578435.db2.gz RYEGAUQFRJQEFH-MFKMUULPSA-N 1 0 393.734 2.817 20 0 GFADRO C[N@@H+]1CC[C@H]2CN(S(=O)(=O)c3cc4ccc(Cl)nc4cc3F)CC[C@H]21 ZINC000867811562 662579163 /nfs/dbraw/zinc/57/91/63/662579163.db2.gz CXEQCPSBQGOOIC-SWLSCSKDSA-N 1 0 383.876 2.742 20 0 GFADRO C[C@H]1CN(C2CCOCC2)CCN1C(=O)C(=O)c1cc(Cl)cc(Cl)c1 ZINC000867877362 662584726 /nfs/dbraw/zinc/58/47/26/662584726.db2.gz CNPNBVIAFPOJDM-LBPRGKRZSA-N 1 0 385.291 2.888 20 0 GFADRO CC(C)(C)c1nnc(CNC(=O)[C@H]([NH3+])c2cccc(Br)c2)s1 ZINC000867965937 662589801 /nfs/dbraw/zinc/58/98/01/662589801.db2.gz JMDOXMAISNLYEL-GFCCVEGCSA-N 1 0 383.315 2.914 20 0 GFADRO COCC1(CNC(=O)Cc2ccc(Br)cc2Cl)CC[NH2+]CC1 ZINC000867970974 662590086 /nfs/dbraw/zinc/59/00/86/662590086.db2.gz LNIGCRHMDOMIFG-UHFFFAOYSA-N 1 0 389.721 2.777 20 0 GFADRO C[C@@H](NC(=O)c1ccn(-c2cccc(Br)c2)n1)C1CC[NH2+]CC1 ZINC000868002911 662591099 /nfs/dbraw/zinc/59/10/99/662591099.db2.gz IHMKSDOCMDLOTD-GFCCVEGCSA-N 1 0 377.286 2.753 20 0 GFADRO Cc1csc(C(=O)N[C@H](C)C2CC[NH2+]CC2)c1I ZINC000868007842 662591221 /nfs/dbraw/zinc/59/12/21/662591221.db2.gz UXIWKJJYRRDINY-SECBINFHSA-N 1 0 378.279 2.779 20 0 GFADRO Cc1c(Br)c[nH]c(=O)c1C(=O)N1CCCC2(CC[NH+](C)CC2)C1 ZINC000868018110 662591643 /nfs/dbraw/zinc/59/16/43/662591643.db2.gz UKRPTYONZGAVCT-UHFFFAOYSA-N 1 0 382.302 2.806 20 0 GFADRO COCCC1(NC(=O)[C@@H](C)c2ccc(Br)s2)CC[NH2+]CC1 ZINC000868041313 662592205 /nfs/dbraw/zinc/59/22/05/662592205.db2.gz RRSJGGSOHAMXRN-NSHDSACASA-N 1 0 375.332 2.889 20 0 GFADRO [NH3+]C[C@H]1CC[C@H](NC(=O)C(=O)Nc2ccccc2SC(F)(F)F)CC1 ZINC000868287850 662600538 /nfs/dbraw/zinc/60/05/38/662600538.db2.gz MXBMVLZADCYSFU-XYPYZODXSA-N 1 0 375.416 2.871 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000868306792 662601503 /nfs/dbraw/zinc/60/15/03/662601503.db2.gz CBESKJCPSZYHQR-SHHSBJBSSA-N 1 0 394.313 2.597 20 0 GFADRO C[C@@H](CNC(=O)NCc1ncc(Br)s1)[NH+]1CCC(C)CC1 ZINC000868367415 662603353 /nfs/dbraw/zinc/60/33/53/662603353.db2.gz MCPDVCWHNRPMNZ-NSHDSACASA-N 1 0 375.336 2.825 20 0 GFADRO C[NH+]1CCC2(CC1)CN(C(=O)c1cc(Br)n[nH]1)Cc1ccccc12 ZINC000870184890 662677750 /nfs/dbraw/zinc/67/77/50/662677750.db2.gz GXMMQLZXIGQVOA-UHFFFAOYSA-N 1 0 389.297 2.792 20 0 GFADRO O=C(CCCC[NH+]1CCCC1)N1CC(O)(c2cccc(Br)c2)C1 ZINC000870233428 662679593 /nfs/dbraw/zinc/67/95/93/662679593.db2.gz ABMZBNYPKMBCGM-UHFFFAOYSA-N 1 0 381.314 2.745 20 0 GFADRO O=C(c1cc(Br)cn2ccnc12)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000870852483 662703433 /nfs/dbraw/zinc/70/34/33/662703433.db2.gz GQFMCLNTHAEPIV-DOMZBBRYSA-N 1 0 377.286 2.701 20 0 GFADRO O=C(c1csc(C2CC[NH2+]CC2)n1)N1CCN(Cc2cccs2)CC1 ZINC000870855145 662703534 /nfs/dbraw/zinc/70/35/34/662703534.db2.gz CNMXTRLGKHZGGL-UHFFFAOYSA-N 1 0 376.551 2.630 20 0 GFADRO COC(=O)C[C@@H](NC(=O)c1csc(C2CC[NH2+]CC2)n1)c1cccs1 ZINC000870860413 662703773 /nfs/dbraw/zinc/70/37/73/662703773.db2.gz FLROODIBCGWHRT-GFCCVEGCSA-N 1 0 379.507 2.706 20 0 GFADRO [NH3+][C@H]1CC[C@H](C(=O)NCc2nnc3c(Cl)cc(C(F)(F)F)cn23)CC1 ZINC000870867733 662703926 /nfs/dbraw/zinc/70/39/26/662703926.db2.gz KHTWDXFCTDIUKS-CZMCAQCFSA-N 1 0 375.782 2.535 20 0 GFADRO C[C@H](NC(=O)CCC12CC(C1)C[NH2+]2)c1cc2c(cc1Br)OCCO2 ZINC000870870221 662703936 /nfs/dbraw/zinc/70/39/36/662703936.db2.gz ITJQZURJJLOVBR-OMTHAAKESA-N 1 0 395.297 2.930 20 0 GFADRO O=C(c1cc(Br)cn2ccnc12)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000870914234 662707871 /nfs/dbraw/zinc/70/78/71/662707871.db2.gz LVHKHQDSGOYHLN-ZDUSSCGKSA-N 1 0 377.286 2.559 20 0 GFADRO [NH3+][C@H](C(=O)N1CC[C@@H](OCc2ccncc2)C1)c1cccc(Br)c1 ZINC000870930339 662708673 /nfs/dbraw/zinc/70/86/73/662708673.db2.gz NEOQYMYSBVLFDW-SJORKVTESA-N 1 0 390.281 2.662 20 0 GFADRO O=C(CC[NH2+]CC1CC1)NCc1noc(-c2cccc(Br)c2)n1 ZINC000870931336 662708774 /nfs/dbraw/zinc/70/87/74/662708774.db2.gz DPOXWMQNDXSYFD-UHFFFAOYSA-N 1 0 379.258 2.505 20 0 GFADRO [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)N2CCC(Oc3cccc(Br)c3)CC2)C1 ZINC000870928323 662708796 /nfs/dbraw/zinc/70/87/96/662708796.db2.gz IMSJJANGVHUHCS-WPKBUWHJSA-N 1 0 379.298 2.946 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)c2ccc(OC(F)(F)F)cc2Br)CCCO1 ZINC000870945269 662710322 /nfs/dbraw/zinc/71/03/22/662710322.db2.gz ICVHLJHKQOIQDT-JTQLQIEISA-N 1 0 397.191 2.538 20 0 GFADRO CCn1c(-c2cc(Br)cn2C)nnc1N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000871064210 662714689 /nfs/dbraw/zinc/71/46/89/662714689.db2.gz VTYOOGZAYLMLLR-JSGCOSHPSA-N 1 0 393.333 2.596 20 0 GFADRO NC(=NOCc1scnc1Cl)c1ccccc1C[NH+]1CCC(O)CC1 ZINC000871730050 662732356 /nfs/dbraw/zinc/73/23/56/662732356.db2.gz NSPUKIYJFUZMAI-UHFFFAOYSA-N 1 0 380.901 2.800 20 0 GFADRO COC(=O)c1sc(S(=O)(=O)N(C)CCCCCC[NH3+])c(C)c1Cl ZINC000871824366 662735994 /nfs/dbraw/zinc/73/59/94/662735994.db2.gz ZYOGVJVLNOBGAC-UHFFFAOYSA-N 1 0 382.935 2.636 20 0 GFADRO NC(=O)[C@@H]([NH2+]C[C@@H]1CCC12CCOCC2)c1ccc(Br)cc1F ZINC000871920034 662741707 /nfs/dbraw/zinc/74/17/07/662741707.db2.gz BQTYFVBWHCJOIQ-NHYWBVRUSA-N 1 0 385.277 2.911 20 0 GFADRO O=S(=O)(N1CCC(C[NH2+][C@H]2CCOC3(CCCC3)C2)CC1)C(F)(F)F ZINC000872036855 662754482 /nfs/dbraw/zinc/75/44/82/662754482.db2.gz VZGZVCRJSMHOFM-AWEZNQCLSA-N 1 0 384.464 2.629 20 0 GFADRO CCS(=O)(=O)C[C@H](C)[NH2+][C@H](c1cccc(Br)c1)[C@@H]1CCOC1 ZINC000872046218 662754644 /nfs/dbraw/zinc/75/46/44/662754644.db2.gz VMRPWERUEWPDQS-JGGQBBKZSA-N 1 0 390.343 2.940 20 0 GFADRO Cn1cnc(CCC[NH2+][C@H](c2cccc(Br)c2)[C@@H]2CCOC2)n1 ZINC000872080626 662755412 /nfs/dbraw/zinc/75/54/12/662755412.db2.gz BCXGXNHNLYIGKL-RHSMWYFYSA-N 1 0 379.302 2.878 20 0 GFADRO CCN1C[C@H](C[NH2+][C@@H](c2cccc(Br)c2)[C@@H]2CCOC2)CC1=O ZINC000872084912 662755564 /nfs/dbraw/zinc/75/55/64/662755564.db2.gz VJXRKHYFFOITQY-JOQOYGCGSA-N 1 0 381.314 2.985 20 0 GFADRO O=S(=O)(CC[NH2+][C@@H](c1cccc(Br)c1)[C@@H]1CCOC1)C1CC1 ZINC000872081564 662755610 /nfs/dbraw/zinc/75/56/10/662755610.db2.gz ZPWQRYSUHADHBI-CJNGLKHVSA-N 1 0 388.327 2.694 20 0 GFADRO [NH3+]C[C@H]1CN(CCC(=O)Nc2ccccc2Br)C[C@@H]1C(F)(F)F ZINC000872148038 662756607 /nfs/dbraw/zinc/75/66/07/662756607.db2.gz HFEFTDFDZCQNOZ-QWRGUYRKSA-N 1 0 394.235 2.847 20 0 GFADRO COC(=O)[C@H](c1ccccc1Br)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000872148858 662756616 /nfs/dbraw/zinc/75/66/16/662756616.db2.gz IHQVYXJGNKWFMC-XWIASGKRSA-N 1 0 395.219 2.732 20 0 GFADRO [NH3+]C[C@@H]1CN([C@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)C[C@H]1C(F)(F)F ZINC000872152360 662757052 /nfs/dbraw/zinc/75/70/52/662757052.db2.gz QCSCOBSLMSLTCE-UDZFHETQSA-N 1 0 379.785 2.653 20 0 GFADRO CN(CCCCCC[NH3+])CCS(=O)(=O)c1cccc(Br)c1 ZINC000872155882 662757247 /nfs/dbraw/zinc/75/72/47/662757247.db2.gz ZNQUBBCCUVMRDG-UHFFFAOYSA-N 1 0 377.348 2.674 20 0 GFADRO O[C@@H](C[NH2+][C@@H]1CCOc2c(Cl)c(Cl)ccc21)CC1(O)CCOCC1 ZINC000872206973 662757801 /nfs/dbraw/zinc/75/78/01/662757801.db2.gz FPWLBPPEPFFHDA-BXUZGUMPSA-N 1 0 376.280 2.699 20 0 GFADRO O[C@H](C[NH2+]C[C@H](n1cncn1)C(F)(F)F)c1ccc(F)c(Br)c1 ZINC000872220231 662758249 /nfs/dbraw/zinc/75/82/49/662758249.db2.gz LRSBPACYYOKNTM-NEPJUHHUSA-N 1 0 397.170 2.606 20 0 GFADRO O[C@H](C[NH2+]C[C@@H]1C[C@H]1C1CCOCC1)COc1cccc(Br)c1 ZINC000872231767 662758661 /nfs/dbraw/zinc/75/86/61/662758661.db2.gz RIBZZQMHKSGGSU-LESCRADOSA-N 1 0 384.314 2.841 20 0 GFADRO C[C@@H]([NH2+]C[C@@H](O)COc1ccc(Cl)cc1Br)c1ccnn1C ZINC000872238421 662758817 /nfs/dbraw/zinc/75/88/17/662758817.db2.gz HKBLIQAOKDVEJK-ZYHUDNBSSA-N 1 0 388.693 2.927 20 0 GFADRO Cn1ncc(I)c1C[NH2+]C[C@@H](O)c1ccc(Cl)cc1 ZINC000872242861 662758983 /nfs/dbraw/zinc/75/89/83/662758983.db2.gz QGKVUGWZXLIRCQ-CYBMUJFWSA-N 1 0 391.640 2.501 20 0 GFADRO C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)c1cnn(-c3ccccc3)c1Br)C2 ZINC000872263553 662759310 /nfs/dbraw/zinc/75/93/10/662759310.db2.gz GYASGGLEJJERQE-HDICACEKSA-N 1 0 389.297 2.706 20 0 GFADRO CC1(C)CC[NH2+]CCN1C(=O)c1ccn(-c2cccc(Br)c2)n1 ZINC000872295158 662759984 /nfs/dbraw/zinc/75/99/84/662759984.db2.gz OTWOLCOWMMISSA-UHFFFAOYSA-N 1 0 377.286 2.849 20 0 GFADRO COCC[NH+](CCOC)C1CCN(c2nc(Cl)nc3sccc32)CC1 ZINC000872546437 662776413 /nfs/dbraw/zinc/77/64/13/662776413.db2.gz YODGYDVIJANVJT-UHFFFAOYSA-N 1 0 384.933 2.908 20 0 GFADRO COc1ccc(S(=O)(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3C)c(Cl)c1Cl ZINC000872662342 662784243 /nfs/dbraw/zinc/78/42/43/662784243.db2.gz DNZQQVXIGWTDAF-MNOVXSKESA-N 1 0 379.309 2.859 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)Nc2cccc(Cl)c2Cl)C[C@@H]1C(F)(F)F ZINC000873103122 662799847 /nfs/dbraw/zinc/79/98/47/662799847.db2.gz CSJKGZMVBSJLEP-SFYZADRCSA-N 1 0 384.185 2.528 20 0 GFADRO CSc1ccc(NC(=O)C(=O)N2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)cc1Cl ZINC000873104743 662799985 /nfs/dbraw/zinc/79/99/85/662799985.db2.gz PKBUQWWHHDOZOS-WCBMZHEXSA-N 1 0 395.834 2.596 20 0 GFADRO COC(=O)c1ccc(NC(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)cc1Cl ZINC000873309966 662805118 /nfs/dbraw/zinc/80/51/18/662805118.db2.gz ROMQMULAJWFHIG-LDYMZIIASA-N 1 0 379.766 2.728 20 0 GFADRO Cc1nc(Br)ccc1NC(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000873315815 662805300 /nfs/dbraw/zinc/80/53/00/662805300.db2.gz WOSVOTSGSRZASP-RKDXNWHRSA-N 1 0 381.196 2.753 20 0 GFADRO Cc1nc(Br)ccc1NC(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000873315814 662805321 /nfs/dbraw/zinc/80/53/21/662805321.db2.gz WOSVOTSGSRZASP-IUCAKERBSA-N 1 0 381.196 2.753 20 0 GFADRO COc1cc(NC(=O)N[C@@]23CCC[C@H]2[NH2+]CC3)cc(OC)c1Br ZINC000873315209 662805333 /nfs/dbraw/zinc/80/53/33/662805333.db2.gz OUKKMAQJTXJNFP-CZUORRHYSA-N 1 0 384.274 2.872 20 0 GFADRO C[C@]12C[NH2+]C[C@H]1CN(C(=O)Nc1cc(C(F)(F)F)cc(Br)n1)C2 ZINC000873325375 662805483 /nfs/dbraw/zinc/80/54/83/662805483.db2.gz RPLXBRUIHQXHRE-TVQRCGJNSA-N 1 0 393.207 2.936 20 0 GFADRO Cc1ncc(Br)cc1NC(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000873326563 662805546 /nfs/dbraw/zinc/80/55/46/662805546.db2.gz BVMZKLQKFPRWGW-WPRPVWTQSA-N 1 0 381.196 2.753 20 0 GFADRO [NH3+]C[C@@H]1CN(N2CCO[C@H](c3c(F)cccc3Cl)C2)C[C@@H]1C(F)(F)F ZINC000873331658 662805656 /nfs/dbraw/zinc/80/56/56/662805656.db2.gz CDYMNQNBFUAQHW-SUNKGSAMSA-N 1 0 381.801 2.836 20 0 GFADRO COc1ccccc1[C@H]1CSCCCN1C(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000873333106 662805709 /nfs/dbraw/zinc/80/57/09/662805709.db2.gz OWTXRKOXLRFOMU-OCCSQVGLSA-N 1 0 377.432 2.774 20 0 GFADRO CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2cc(Cl)cc(Cl)c2F)C1 ZINC000873739646 662812957 /nfs/dbraw/zinc/81/29/57/662812957.db2.gz KONYCMQFURZHLZ-SNVBAGLBSA-N 1 0 376.259 2.871 20 0 GFADRO CCc1ccc(Br)c(NC(=O)C(=O)NC2CCC([NH+](C)C)CC2)c1 ZINC000873925414 662818762 /nfs/dbraw/zinc/81/87/62/662818762.db2.gz UCXDUXIIQOJWQK-UHFFFAOYSA-N 1 0 396.329 2.939 20 0 GFADRO CC[NH+](CC)CCOc1ccc(CNC(=O)C2(Br)CC2)cc1OC ZINC000874321781 662828995 /nfs/dbraw/zinc/82/89/95/662828995.db2.gz RLZDZIGQALDMAF-UHFFFAOYSA-N 1 0 399.329 2.960 20 0 GFADRO C[NH+]1CCC(N(Cc2ccco2)C(=O)c2cc(N)nc(Br)c2)CC1 ZINC000874466802 662831750 /nfs/dbraw/zinc/83/17/50/662831750.db2.gz VISSWPJJXJRGEC-UHFFFAOYSA-N 1 0 393.285 2.756 20 0 GFADRO Cc1c(I)cccc1C(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2C ZINC000874839528 662838103 /nfs/dbraw/zinc/83/81/03/662838103.db2.gz WOUCIPVGXCSBKM-CABCVRRESA-N 1 0 384.261 2.908 20 0 GFADRO Cc1c(I)cccc1C(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2C ZINC000874839531 662838118 /nfs/dbraw/zinc/83/81/18/662838118.db2.gz WOUCIPVGXCSBKM-LSDHHAIUSA-N 1 0 384.261 2.908 20 0 GFADRO C[N@@H+]1CCC[C@H]2[C@H]1CCN2C(=O)c1cnn(-c2ccc(Br)cc2)c1 ZINC000874843603 662838347 /nfs/dbraw/zinc/83/83/47/662838347.db2.gz NZCRBTKZAIUILR-SJORKVTESA-N 1 0 389.297 2.944 20 0 GFADRO CC[NH+](CC)[C@H](CNC(=O)C(=O)NCC[C@H]1CCSC1)c1ccsc1 ZINC000875056750 662841351 /nfs/dbraw/zinc/84/13/51/662841351.db2.gz GSXNQHKKWJCGHV-GOEBONIOSA-N 1 0 383.583 2.507 20 0 GFADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@H]2C(=O)OCc2ccccc2Br)cn1 ZINC000875435274 662846052 /nfs/dbraw/zinc/84/60/52/662846052.db2.gz UFTNUYCMNAWHGD-CVEARBPZSA-N 1 0 392.297 2.961 20 0 GFADRO COCCN(CC1CC[NH+](C)CC1)C(=O)c1cc(F)c(Cl)nc1Cl ZINC000876164471 662856112 /nfs/dbraw/zinc/85/61/12/662856112.db2.gz LZELNKDVEWAPOC-UHFFFAOYSA-N 1 0 378.275 2.958 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCc2ncc(Br)s2)C[C@@H]1C ZINC000876285463 662858925 /nfs/dbraw/zinc/85/89/25/662858925.db2.gz CJHSRSIQTBDZMV-WDEREUQCSA-N 1 0 375.336 2.920 20 0 GFADRO C[NH+](C)C1(C)CCC(NC(=O)CS(=O)(=O)Cc2ccc(Cl)s2)CC1 ZINC000876330441 662859913 /nfs/dbraw/zinc/85/99/13/662859913.db2.gz BFBDVGZAFDCNKB-UHFFFAOYSA-N 1 0 392.974 2.695 20 0 GFADRO O=C(Nc1cc(Cl)cc(Cl)c1)[C@@H]1CCCN1C(=O)[C@H](F)[C@@H]1CC[NH2+]C1 ZINC000876602519 662863277 /nfs/dbraw/zinc/86/32/77/662863277.db2.gz QZJZVDFUTSJJBW-WKPIXPDZSA-N 1 0 388.270 2.871 20 0 GFADRO O=C(/C=C\[C@H]1CCC[NH2+]C1)Nc1ncn(Cc2cccc(Br)c2)n1 ZINC000876632535 662863776 /nfs/dbraw/zinc/86/37/76/662863776.db2.gz VUGUXFIYIPHUEO-FMFIFOJESA-N 1 0 390.285 2.583 20 0 GFADRO COc1cc(CNC(=O)/C=C/[C@H]2CCC[NH2+]C2)cc(Br)c1OC ZINC000876637551 662864036 /nfs/dbraw/zinc/86/40/36/662864036.db2.gz ODIXIYAVZGFDHM-BTDICHCPSA-N 1 0 383.286 2.638 20 0 GFADRO O=C(/C=C\[C@@H]1CCC[NH2+]C1)NC[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000876732611 662865523 /nfs/dbraw/zinc/86/55/23/662865523.db2.gz AWUKTMXOLLQIOS-JRYHNUQDSA-N 1 0 392.341 2.947 20 0 GFADRO CSC(C)(C)CC[NH+]1CCC(N(CC(F)(F)F)S(C)(=O)=O)CC1 ZINC000876736678 662865684 /nfs/dbraw/zinc/86/56/84/662865684.db2.gz MWGFYEANOHQUOX-UHFFFAOYSA-N 1 0 376.510 2.806 20 0 GFADRO CC[N@@H+](Cc1ccc(S(N)(=O)=O)c(Cl)c1)C[C@H](O)c1ccc(C)cc1 ZINC000876764657 662866028 /nfs/dbraw/zinc/86/60/28/662866028.db2.gz POSIXUCYUROQPI-KRWDZBQOSA-N 1 0 382.913 2.851 20 0 GFADRO Cn1ncc2cc(C[N@H+](C)[C@@H](CO)c3cccc(Br)c3)cnc21 ZINC000876783405 662866412 /nfs/dbraw/zinc/86/64/12/662866412.db2.gz AVTDFVZELGGTML-INIZCTEOSA-N 1 0 375.270 2.896 20 0 GFADRO CC(C)[NH+]1CCC(N2CCN(Cc3cccnc3Br)CC2)CC1 ZINC000876792760 662866510 /nfs/dbraw/zinc/86/65/10/662866510.db2.gz ZLGPXNUVXZXEHP-UHFFFAOYSA-N 1 0 381.362 2.835 20 0 GFADRO NS(=O)(=O)c1ccc(C[N@@H+]2CCCCC[C@@H]2C[C@@H](O)c2cccs2)o1 ZINC000876804445 662866727 /nfs/dbraw/zinc/86/67/27/662866727.db2.gz QJZBMUQSDYXLAT-UKRRQHHQSA-N 1 0 384.523 2.857 20 0 GFADRO Cn1ncc(C[NH3+])c1C(=O)N1CCC(c2cccc(Br)c2)CC1 ZINC000876895995 662867814 /nfs/dbraw/zinc/86/78/14/662867814.db2.gz ROUAARURCRXWHD-UHFFFAOYSA-N 1 0 377.286 2.661 20 0 GFADRO CC(C)n1ncc(C(=O)N2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)c1Br ZINC000876918477 662868006 /nfs/dbraw/zinc/86/80/06/662868006.db2.gz IMWQJAUANQVKPG-CABCVRRESA-N 1 0 399.333 2.585 20 0 GFADRO Nc1cc(C(=O)Nc2nc(C3CC[NH2+]CC3)cs2)cc(Br)n1 ZINC000876915815 662868018 /nfs/dbraw/zinc/86/80/18/662868018.db2.gz CNNBNXUQTHXCIB-UHFFFAOYSA-N 1 0 382.287 2.602 20 0 GFADRO CC(C)n1ncc(C(=O)N2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)c1Br ZINC000876921098 662868135 /nfs/dbraw/zinc/86/81/35/662868135.db2.gz KDOOKDGDHMDOTO-UKRRQHHQSA-N 1 0 399.333 2.585 20 0 GFADRO COC(=O)c1ccc(C[NH2+][C@H]2CCc3nc(C)ncc3C2)cc1Br ZINC000876926404 662868236 /nfs/dbraw/zinc/86/82/36/662868236.db2.gz TXOIXASLZYZUAN-AWEZNQCLSA-N 1 0 390.281 2.981 20 0 GFADRO O=C(Nc1ccc([C@H]2C[NH2+]CCO2)cc1)c1cc(Br)cnc1F ZINC000876968385 662868826 /nfs/dbraw/zinc/86/88/26/662868826.db2.gz HGUDDYYAAWOOEG-CQSZACIVSA-N 1 0 380.217 2.896 20 0 GFADRO NS(=O)(=O)c1cccc(C[NH2+]C[C@@H]2CCN(c3ccc(Cl)cc3)C2)c1 ZINC000876991271 662869316 /nfs/dbraw/zinc/86/93/16/662869316.db2.gz WNQBQSMCCBDDHG-HNNXBMFYSA-N 1 0 379.913 2.604 20 0 GFADRO C[C@@H](NC(=O)c1[nH]nc2c1C[NH2+]CC2)c1cc(F)c(Br)cc1F ZINC000876999915 662869453 /nfs/dbraw/zinc/86/94/53/662869453.db2.gz HOYZZYCJWOXVGW-SSDOTTSWSA-N 1 0 385.212 2.587 20 0 GFADRO CCO[P@](C)(=O)CC[C@H](C)[NH2+][C@@H](C)c1cccc(S(=O)(=O)NC)c1 ZINC000877003408 662869474 /nfs/dbraw/zinc/86/94/74/662869474.db2.gz TYIGOWWQMPMNHX-QIPPXTIRSA-N 1 0 376.459 2.968 20 0 GFADRO C[C@H](NC(=O)CO[C@H]1CCC[NH2+]C1)c1cc(F)c(Br)cc1F ZINC000877000029 662869498 /nfs/dbraw/zinc/86/94/98/662869498.db2.gz IPYANWCAHPNOPB-UWVGGRQHSA-N 1 0 377.229 2.673 20 0 GFADRO C[NH2+]CCOCCNC(=O)c1c(C)nn(Cc2ccccc2Cl)c1Cl ZINC000877024572 662869774 /nfs/dbraw/zinc/86/97/74/662869774.db2.gz IHPRBFUSFVMRPR-UHFFFAOYSA-N 1 0 385.295 2.512 20 0 GFADRO Cn1ncc(C[NH3+])c1C(=O)N1CC2(CCC2)c2cc(Br)ccc21 ZINC000877031781 662869901 /nfs/dbraw/zinc/86/99/01/662869901.db2.gz BEUKBJWEBRUQOC-UHFFFAOYSA-N 1 0 375.270 2.723 20 0 GFADRO COc1nsc(CNC2CC[NH+](C[C@@H]3CCCO3)CC2)c1Br ZINC000877030494 662869968 /nfs/dbraw/zinc/86/99/68/662869968.db2.gz DQBHEPQOOAVPHB-LBPRGKRZSA-N 1 0 390.347 2.647 20 0 GFADRO [NH3+]CCCOCCNC(=O)c1cnc(-c2ccccc2Br)s1 ZINC000877053549 662870347 /nfs/dbraw/zinc/87/03/47/662870347.db2.gz QYZOXNGSPIKUQN-UHFFFAOYSA-N 1 0 384.299 2.668 20 0 GFADRO Cc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)N(C)CCOCC[NH3+] ZINC000877058349 662870386 /nfs/dbraw/zinc/87/03/86/662870386.db2.gz GTZWTUVHRCPXLS-UHFFFAOYSA-N 1 0 385.295 2.594 20 0 GFADRO C[C@@H](C[NH2+]CC1CCS(=O)(=O)CC1)Oc1ccccc1Br ZINC000877083123 662870884 /nfs/dbraw/zinc/87/08/84/662870884.db2.gz IGFJIDZSCQPPAX-LBPRGKRZSA-N 1 0 376.316 2.631 20 0 GFADRO O=S(=O)(N1CCC([NH2+]Cc2cc3c(ccnc3Cl)o2)CC1)C(F)(F)F ZINC000877107715 662871113 /nfs/dbraw/zinc/87/11/13/662871113.db2.gz DCLJFJQKCBKJEZ-UHFFFAOYSA-N 1 0 397.806 2.885 20 0 GFADRO O=C(/C=C\c1ccc(Br)o1)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000877114675 662871210 /nfs/dbraw/zinc/87/12/10/662871210.db2.gz XREQWYJCSXTJHC-NSRYLSIASA-N 1 0 383.286 2.672 20 0 GFADRO CCO[P@@](C)(=O)CC[C@@H](C)[NH2+]CCNS(=O)(=O)c1cc(C)sc1C ZINC000877117013 662871288 /nfs/dbraw/zinc/87/12/88/662871288.db2.gz GHCIJYQREVEHIH-VERVWZFWSA-N 1 0 396.515 2.956 20 0 GFADRO COC(=O)c1ccc(C[NH2+][C@H]2CCN(c3ccccn3)C2)cc1Br ZINC000877121344 662871479 /nfs/dbraw/zinc/87/14/79/662871479.db2.gz ORLXISBVAGHXRQ-AWEZNQCLSA-N 1 0 390.281 2.999 20 0 GFADRO O=C(CCN1CCOCC1)Nc1cccc(C[NH2+]C[C@@H]2CC2(Cl)Cl)c1 ZINC000877145061 662871659 /nfs/dbraw/zinc/87/16/59/662871659.db2.gz BPIHEKJKEKZUGT-HNNXBMFYSA-N 1 0 386.323 2.631 20 0 GFADRO [NH3+]CC12CCC(CC1)N2C(=O)CNC(=O)c1sc2ccccc2c1Cl ZINC000877187764 662872067 /nfs/dbraw/zinc/87/20/67/662872067.db2.gz GSIPWANZQBQJPT-UHFFFAOYSA-N 1 0 377.897 2.767 20 0 GFADRO [NH3+][C@H](C(=O)NCc1cccc2c1CCOC2)c1cccc(Br)c1 ZINC000877202744 662872175 /nfs/dbraw/zinc/87/21/75/662872175.db2.gz FSBMKBORUCMQGD-KRWDZBQOSA-N 1 0 375.266 2.838 20 0 GFADRO O=C([C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000877280920 662873097 /nfs/dbraw/zinc/87/30/97/662873097.db2.gz JUZVEDLOMCFJFL-WQVCFCJDSA-N 1 0 382.291 2.699 20 0 GFADRO O=C(NC[C@H]1CC2(CO1)CC[NH2+]CC2)c1cc2ccc(Br)cc2[nH]1 ZINC000877329782 662873770 /nfs/dbraw/zinc/87/37/70/662873770.db2.gz YAIUUJHYKYBZIM-CQSZACIVSA-N 1 0 392.297 2.819 20 0 GFADRO COC(=O)c1cc(C[NH2+]C(C)(C)[C@H](O)c2ccc(Br)cc2)on1 ZINC000877359250 662874432 /nfs/dbraw/zinc/87/44/32/662874432.db2.gz GLYZHVIGNLHITR-CQSZACIVSA-N 1 0 383.242 2.826 20 0 GFADRO C[C@H](Oc1ccccc1Br)C(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000877367253 662874836 /nfs/dbraw/zinc/87/48/36/662874836.db2.gz ZYWDHZPFQMCZKV-HBNTYKKESA-N 1 0 395.219 2.812 20 0 GFADRO C[C@]12C[NH2+]C[C@H]1CN(C(=O)c1cc(-c3ccc(Br)cc3)no1)C2 ZINC000877372326 662874936 /nfs/dbraw/zinc/87/49/36/662874936.db2.gz CDZMMHQSHZFRDD-YVEFUNNKSA-N 1 0 376.254 2.786 20 0 GFADRO CCOc1c(Cl)cc(C(=O)N2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1OC ZINC000877369357 662874943 /nfs/dbraw/zinc/87/49/43/662874943.db2.gz YIUMCXMPYHKCBB-QWRGUYRKSA-N 1 0 380.794 2.957 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)COc2ccc(F)cc2Br)C[C@H]1C(F)(F)F ZINC000877369127 662874959 /nfs/dbraw/zinc/87/49/59/662874959.db2.gz XSKYNRNTUIHSQC-PSASIEDQSA-N 1 0 399.182 2.563 20 0 GFADRO [NH3+][C@@H](C(=O)N1CCO[C@H](C(F)(F)F)CC1)c1cccc(Br)c1 ZINC000877383208 662875132 /nfs/dbraw/zinc/87/51/32/662875132.db2.gz XBRUPHGUJQUJBV-NWDGAFQWSA-N 1 0 381.192 2.629 20 0 GFADRO O=C(N[C@H]1CCCCC12CC[NH2+]CC2)c1cc(I)c[nH]1 ZINC000877405100 662875640 /nfs/dbraw/zinc/87/56/40/662875640.db2.gz HXCOQQXDMRZXQN-ZDUSSCGKSA-N 1 0 387.265 2.662 20 0 GFADRO COC(=O)c1ccc(C[NH2+]C[C@H]2CCCN(C(C)=O)C2)cc1Br ZINC000877491209 662877060 /nfs/dbraw/zinc/87/70/60/662877060.db2.gz OICMXUFOWMHCPO-CQSZACIVSA-N 1 0 383.286 2.584 20 0 GFADRO CC(C)(C)OC(=O)NC/C=C/C[NH2+]Cc1cnn2cc(Br)cnc12 ZINC000877490579 662877096 /nfs/dbraw/zinc/87/70/96/662877096.db2.gz ZLNOUFXUWHHXKN-SNAWJCMRSA-N 1 0 396.289 2.662 20 0 GFADRO COC(=O)c1ccc(C[N@@H+]2CC[C@H](c3nccn3C)C2)cc1Br ZINC000877528520 662878188 /nfs/dbraw/zinc/87/81/88/662878188.db2.gz CWFZSBLPGJUMET-ZDUSSCGKSA-N 1 0 378.270 2.959 20 0 GFADRO CCO[P@](C)(=O)CC[C@H](C)[NH2+]C[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000877577199 662879350 /nfs/dbraw/zinc/87/93/50/662879350.db2.gz BUVAEQMCNOSJQJ-AYNSBQOLSA-N 1 0 378.450 2.935 20 0 GFADRO CCNS(=O)(=O)c1cccc(C[NH2+][C@H](C)CC[P@](C)(=O)OCC)c1 ZINC000877584738 662879425 /nfs/dbraw/zinc/87/94/25/662879425.db2.gz XOLMSGSMVLNNSY-QKFKETGDSA-N 1 0 376.459 2.797 20 0 GFADRO COCCN(Cc1nc2ccccn2c1Br)CC1CC[NH+](C)CC1 ZINC000877663777 662881186 /nfs/dbraw/zinc/88/11/86/662881186.db2.gz AJNDSZRZZPRBBA-UHFFFAOYSA-N 1 0 395.345 2.887 20 0 GFADRO C[N@@H+]1CC[C@H]2CN(Cc3ccc(Br)cc3N3CCOCC3)CC[C@H]21 ZINC000877740889 662882663 /nfs/dbraw/zinc/88/26/63/662882663.db2.gz KZSSZVWEZAOFCD-FUHWJXTLSA-N 1 0 394.357 2.812 20 0 GFADRO CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+][C@H]2COc3cccc(Br)c3C2)C1 ZINC000877758456 662882949 /nfs/dbraw/zinc/88/29/49/662882949.db2.gz BWCUVYDLKHVDQU-YNEHKIRRSA-N 1 0 388.327 2.698 20 0 GFADRO CCCN(CC(=O)NC1CC[NH+](C)CC1)Cc1ccccc1Br ZINC000878008301 662888091 /nfs/dbraw/zinc/88/80/91/662888091.db2.gz ZFELJZXWDHGYTQ-UHFFFAOYSA-N 1 0 382.346 2.872 20 0 GFADRO NC(=O)c1ccc(CC[NH+]2CCC(n3cc(Br)cn3)CC2)cc1 ZINC000878091908 662889674 /nfs/dbraw/zinc/88/96/74/662889674.db2.gz KYVVCNJEYBOZCX-UHFFFAOYSA-N 1 0 377.286 2.624 20 0 GFADRO CC(C)(Cc1ccc(Br)cc1)[NH2+]C[C@H](O)CC1(O)CCOCC1 ZINC000878245111 662892407 /nfs/dbraw/zinc/89/24/07/662892407.db2.gz WOKUYFTZGCGBOH-MRXNPFEDSA-N 1 0 386.330 2.652 20 0 GFADRO C[C@H]1CN(C[C@H](O)c2ccc(Cl)c(Cl)c2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000878324875 662893927 /nfs/dbraw/zinc/89/39/27/662893927.db2.gz PMJHKYMZDBSTFR-JVPBZIDWSA-N 1 0 386.367 2.985 20 0 GFADRO OCC[C@H]([NH2+]C[C@@H](O)C[C@H](O)c1ccccc1)c1ccccc1Br ZINC000878395638 662895248 /nfs/dbraw/zinc/89/52/48/662895248.db2.gz GBZCWPAALZCWBQ-SNRMKQJTSA-N 1 0 394.309 2.947 20 0 GFADRO OC[C@H]([NH2+]C[C@@H](O)c1cc(Br)no1)c1ccc(C(F)(F)F)cc1 ZINC000878397202 662895400 /nfs/dbraw/zinc/89/54/00/662895400.db2.gz OTZYHGJNSQCRDV-WDEREUQCSA-N 1 0 395.175 2.813 20 0 GFADRO OC[C@H]([NH2+]C[C@H](O)C[C@H](O)c1ccccc1)c1cccc(Br)c1 ZINC000878397995 662895419 /nfs/dbraw/zinc/89/54/19/662895419.db2.gz UJBQMAJMKIVWBY-SQNIBIBYSA-N 1 0 380.282 2.557 20 0 GFADRO CS[C@H]1CN(C[C@@H](O)c2ccc(Br)cc2)C[C@@H]1[NH+]1CCCC1 ZINC000878429135 662896220 /nfs/dbraw/zinc/89/62/20/662896220.db2.gz AYINUNKLBSPKEA-BBWFWOEESA-N 1 0 385.371 2.994 20 0 GFADRO OCC1([C@@H]([NH2+]C[C@H](O)c2cc(Br)no2)c2ccccc2)CCC1 ZINC000878649648 662901603 /nfs/dbraw/zinc/90/16/03/662901603.db2.gz BMIMYBZFKAFZOD-BBRMVZONSA-N 1 0 381.270 2.964 20 0 GFADRO COCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(OC(F)F)c(Br)c2)C1 ZINC000878775158 662904871 /nfs/dbraw/zinc/90/48/71/662904871.db2.gz YMGXAGUIFIKYAI-LLVKDONJSA-N 1 0 393.228 2.501 20 0 GFADRO Brc1cncc(O[C@H]2CC[N@H+](C[C@@H]3CC4(CO3)CCOCC4)C2)c1 ZINC000878875785 662907959 /nfs/dbraw/zinc/90/79/59/662907959.db2.gz FUTXWQTXRVQMQB-RDJZCZTQSA-N 1 0 397.313 2.883 20 0 GFADRO C[C@H]([NH2+]C[C@@H](O)CC1(O)CCOCC1)c1ccc(C(F)(F)F)nc1Cl ZINC000879018858 662913425 /nfs/dbraw/zinc/91/34/25/662913425.db2.gz ZPOPJUQQJWPURB-QWRGUYRKSA-N 1 0 382.810 2.697 20 0 GFADRO OCC1(C[C@H](O)C[N@@H+]2CC[C@@H](O)[C@H]2c2ccc(Br)cc2)CCCC1 ZINC000879064062 662915323 /nfs/dbraw/zinc/91/53/23/662915323.db2.gz YCPPSSWNXQVIPD-RCCFBDPRSA-N 1 0 398.341 2.861 20 0 GFADRO CN(C[C@H](O)C[N@H+](C)Cc1cncc(Br)c1)C(=O)OC(C)(C)C ZINC000879081540 662915794 /nfs/dbraw/zinc/91/57/94/662915794.db2.gz KUUZKCONVULIEL-CQSZACIVSA-N 1 0 388.306 2.504 20 0 GFADRO Cc1nc(Br)ccc1NC(=O)N1CCC([NH2+]C2CCOCC2)CC1 ZINC000879099520 662916444 /nfs/dbraw/zinc/91/64/44/662916444.db2.gz NQYGOPTWQXWKDT-UHFFFAOYSA-N 1 0 397.317 2.917 20 0 GFADRO C[NH+]1CCC(n2cc(NC(=O)Nc3cccc(Br)n3)cn2)CC1 ZINC000879203439 662920492 /nfs/dbraw/zinc/92/04/92/662920492.db2.gz NMXZTKLKICPNQI-UHFFFAOYSA-N 1 0 379.262 2.951 20 0 GFADRO CCOP(=O)(OCC)[C@H](O)C[N@@H+]1C[C@@H](NC(=O)OC(C)(C)C)C[C@H]1C ZINC000879225108 662920922 /nfs/dbraw/zinc/92/09/22/662920922.db2.gz WUTCEPSYTUDTIS-RDBSUJKOSA-N 1 0 380.422 2.558 20 0 GFADRO CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)Nc2cc(F)cc(Br)c2F)C1 ZINC000879401809 662925437 /nfs/dbraw/zinc/92/54/37/662925437.db2.gz AOURJCVSJKKAQS-JTQLQIEISA-N 1 0 392.244 2.694 20 0 GFADRO C[C@@H]1CCC[N@@H+]1CCNC(=O)c1cc(Br)ncc1Br ZINC000879537314 662928631 /nfs/dbraw/zinc/92/86/31/662928631.db2.gz XUEWZOCUNFNFGD-SECBINFHSA-N 1 0 391.107 2.821 20 0 GFADRO C[C@@H](C[N@@H+]1CC[C@](CNC(=O)OC(C)(C)C)(C(C)(C)C)C1)S(C)(=O)=O ZINC000879652667 662934247 /nfs/dbraw/zinc/93/42/47/662934247.db2.gz CCGIZRKFOXNCPM-KBXCAEBGSA-N 1 0 376.563 2.682 20 0 GFADRO COCC[N@H+](C[C@H](O)COc1c(Cl)cccc1Cl)C1CCOCC1 ZINC000879707047 662937573 /nfs/dbraw/zinc/93/75/73/662937573.db2.gz YOMIGZIXMWIWOX-AWEZNQCLSA-N 1 0 378.296 2.861 20 0 GFADRO CN(Cc1cc(Br)cs1)C(=O)CN1CC[C@H]2[C@@H]1CCC[N@@H+]2C ZINC000880132000 662952148 /nfs/dbraw/zinc/95/21/48/662952148.db2.gz DECRFEBUXRIAGP-GJZGRUSLSA-N 1 0 386.359 2.638 20 0 GFADRO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2CC(=O)Nc1c(F)cc(F)cc1Br ZINC000880133938 662952308 /nfs/dbraw/zinc/95/23/08/662952308.db2.gz JREKYOGJOLVXAV-ZIAGYGMSSA-N 1 0 388.256 2.834 20 0 GFADRO OCC1(C[C@H](O)C[NH2+][C@@]2(c3ccc(Br)cc3)C[C@@H](O)C2)CCCC1 ZINC000880221308 662955450 /nfs/dbraw/zinc/95/54/50/662955450.db2.gz DFVVVWGDQSBWEZ-JENIJYKNSA-N 1 0 398.341 2.692 20 0 GFADRO CO[C@H]1COCC[C@@H]1[N@H+](C)CCC(=O)Nc1ccc(Br)cc1F ZINC000880424896 662959580 /nfs/dbraw/zinc/95/95/80/662959580.db2.gz KSIAVULNJOAXAO-GJZGRUSLSA-N 1 0 389.265 2.653 20 0 GFADRO CO[C@@H]1COCC[C@@H]1[N@H+](C)CC(=O)N(C)Cc1ccc(Cl)c(Cl)c1 ZINC000880426918 662959825 /nfs/dbraw/zinc/95/98/25/662959825.db2.gz YSPMAJAWWMMISQ-JKSUJKDBSA-N 1 0 375.296 2.688 20 0 GFADRO O=C(CC[NH+]1CCC2(CC1)COCCO2)Nc1ccccc1Br ZINC000880543482 662961988 /nfs/dbraw/zinc/96/19/88/662961988.db2.gz NWKBLMDHXCJUIS-UHFFFAOYSA-N 1 0 383.286 2.659 20 0 GFADRO CN(C)Cc1cc(NC(=O)NC[C@H](O)c2cccc(Br)c2)ccn1 ZINC000880612152 662964063 /nfs/dbraw/zinc/96/40/63/662964063.db2.gz DXUNJOURWUMZJU-INIZCTEOSA-N 1 0 393.285 2.761 20 0 GFADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)Nc1cc(C(C)=O)ccc1Br ZINC000880805158 662972694 /nfs/dbraw/zinc/97/26/94/662972694.db2.gz FTAHYLWODHNRBC-AWEZNQCLSA-N 1 0 398.301 2.884 20 0 GFADRO C[C@@H](CNC(=O)Nc1cccc(F)c1Br)C[NH+]1CCN(C)CC1 ZINC000881140708 662983139 /nfs/dbraw/zinc/98/31/39/662983139.db2.gz HXSLBJIRPINMBZ-LBPRGKRZSA-N 1 0 387.297 2.593 20 0 GFADRO C[C@@H]1CN(C(=O)c2cc(Br)cnc2F)CCN1c1cc[nH+]cc1 ZINC000881629902 662998557 /nfs/dbraw/zinc/99/85/57/662998557.db2.gz KOFMPANBPMECTM-LLVKDONJSA-N 1 0 379.233 2.729 20 0 GFADRO Cc1ccc(C(=O)N2CCN(c3cc[nH+]cc3)[C@@H](C)C2)c(Br)n1 ZINC000881633352 662998559 /nfs/dbraw/zinc/99/85/59/662998559.db2.gz UZVDHKZGHSNZME-ZDUSSCGKSA-N 1 0 375.270 2.898 20 0 GFADRO C[S@@](=O)(=NS(=O)(=O)N1CCC([NH+]2CCCCC2)CC1)C1CCCCC1 ZINC000881795882 663003554 /nfs/dbraw/zinc/00/35/54/663003554.db2.gz PGUPGVVXHNXJMT-DEOSSOPVSA-N 1 0 391.603 2.612 20 0 GFADRO C[C@H](CNc1ccc2nnc(Br)n2n1)[N@@H+]1CCc2sccc2C1 ZINC000881796352 663003721 /nfs/dbraw/zinc/00/37/21/663003721.db2.gz XDUKADNCXAEKHE-SNVBAGLBSA-N 1 0 393.314 2.807 20 0 GFADRO C[NH+](C)C[C@@H]1CN(S(=O)(=O)CC[C@@H]2CC2(Cl)Cl)c2ccccc2O1 ZINC000881992969 663012699 /nfs/dbraw/zinc/01/26/99/663012699.db2.gz WQLUTIDQVGBSCC-CHWSQXEVSA-N 1 0 393.336 2.729 20 0 GFADRO Brc1nnc2ccc(NC[C@@H]3CC[N@H+](Cc4ccccc4)C3)nn12 ZINC000882284325 663023454 /nfs/dbraw/zinc/02/34/54/663023454.db2.gz RDEORAIZUOILIN-AWEZNQCLSA-N 1 0 387.285 2.821 20 0 GFADRO C[C@]1(Br)C[C@H]1C(=O)NCCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000882384913 663026336 /nfs/dbraw/zinc/02/63/36/663026336.db2.gz VUSMLMJPCGZAQD-WMZOPIPTSA-N 1 0 395.341 2.693 20 0 GFADRO C[NH+](C)C1(C)CCC(NS(=O)(=O)N=[S@@](C)(=O)C2CCCCC2)CC1 ZINC000882497973 663029155 /nfs/dbraw/zinc/02/91/55/663029155.db2.gz PFTXBLTZHZYUES-DWFFKFSKSA-N 1 0 379.592 2.514 20 0 GFADRO CC1([NH+]2CCC2)CCN(C(=O)c2ccccc2I)CC1 ZINC000882499743 663029309 /nfs/dbraw/zinc/02/93/09/663029309.db2.gz SMOXQBHKAGGVRF-UHFFFAOYSA-N 1 0 384.261 2.992 20 0 GFADRO COc1cc(Cl)c(S(=O)(=O)N2CCC(C)([NH+]3CCC3)CC2)cc1OC ZINC000882768190 663041030 /nfs/dbraw/zinc/04/10/30/663041030.db2.gz UJIZILMISACGMK-UHFFFAOYSA-N 1 0 388.917 2.606 20 0 GFADRO COCO[C@@H](C)c1cc(F)c(C[NH2+]CCN(C)OC)cc1Br ZINC000883171300 663050898 /nfs/dbraw/zinc/05/08/98/663050898.db2.gz UWTMDYRATWYUGI-NSHDSACASA-N 1 0 379.270 2.853 20 0 GFADRO COC[C@@H]([NH2+]CCc1cn2cc(Br)cc(C)c2n1)[C@@H]1CCCOC1 ZINC000883216079 663051542 /nfs/dbraw/zinc/05/15/42/663051542.db2.gz KVYFKJUORIBUGM-RHSMWYFYSA-N 1 0 396.329 2.979 20 0 GFADRO C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]CC[C@@H]1CCCS1(=O)=O ZINC000883306287 663053244 /nfs/dbraw/zinc/05/32/44/663053244.db2.gz RQWCENXTQKMQTK-ZBFHGGJFSA-N 1 0 386.945 2.634 20 0 GFADRO CC(C)(C)OC(=O)NC1CCC([NH2+]C[C@H](O)C(F)(F)C(F)(F)F)CC1 ZINC000883361058 663053824 /nfs/dbraw/zinc/05/38/24/663053824.db2.gz SKXNZYMBZJEKMW-ILDUYXDCSA-N 1 0 376.366 2.970 20 0 GFADRO [NH3+]CCN(CC(F)(F)F)S(=O)(=O)c1cccc(Cl)c1Br ZINC000883471809 663055618 /nfs/dbraw/zinc/05/56/18/663055618.db2.gz ZPGZTNXADARIMF-UHFFFAOYSA-N 1 0 395.628 2.614 20 0 GFADRO Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N1CCc2sc(C[NH3+])nc2C1 ZINC000883481123 663055915 /nfs/dbraw/zinc/05/59/15/663055915.db2.gz XYYDROGZXMXUNK-UHFFFAOYSA-N 1 0 391.440 2.676 20 0 GFADRO CCC1([NH3+])CCN(S(=O)(=O)c2cc(Cl)ccc2Br)CC1 ZINC000883483394 663056036 /nfs/dbraw/zinc/05/60/36/663056036.db2.gz DUGBGEOZOWDLRW-UHFFFAOYSA-N 1 0 381.723 2.995 20 0 GFADRO COC(=O)c1cc(Cl)ccc1NC(=O)N1CCc2sc(C[NH3+])nc2C1 ZINC000883549863 663056878 /nfs/dbraw/zinc/05/68/78/663056878.db2.gz YRIZJLSMICGOHA-UHFFFAOYSA-N 1 0 380.857 2.632 20 0 GFADRO CCCN(CC(=O)Nc1ccc(Cl)cc1Cl)C(=O)[C@@H]([NH3+])CCOC ZINC000884053915 663064158 /nfs/dbraw/zinc/06/41/58/663064158.db2.gz LEYRUOBEEUFLJS-ZDUSSCGKSA-N 1 0 376.284 2.534 20 0 GFADRO CC(C)(C)C(=O)N1CCC(NC(=O)[C@@H]([NH3+])c2ccc(Br)cc2)CC1 ZINC000884070459 663064565 /nfs/dbraw/zinc/06/45/65/663064565.db2.gz MLYIBFFLWGJQLL-HNNXBMFYSA-N 1 0 396.329 2.602 20 0 GFADRO C[C@H](c1cccs1)N(Cc1ccccc1)C(=O)[C@@H]([NH3+])CCS(C)(=O)=O ZINC000884088476 663064820 /nfs/dbraw/zinc/06/48/20/663064820.db2.gz KRNMIYJMJKUBDP-ZBFHGGJFSA-N 1 0 380.535 2.600 20 0 GFADRO C[C@H](NC(=O)[C@H]([NH3+])CC1CC1)c1nc(-c2ccc(Br)cc2)no1 ZINC000884173722 663066517 /nfs/dbraw/zinc/06/65/17/663066517.db2.gz CJYKLLWBPRAHBX-TVQRCGJNSA-N 1 0 379.258 2.804 20 0 GFADRO CC1(C)[C@@H]([NH3+])C[C@@H]1NC(=O)CCc1nc(-c2cc(Br)cs2)no1 ZINC000884352568 663069445 /nfs/dbraw/zinc/06/94/45/663069445.db2.gz KSXHGUDAQHVKKI-QWRGUYRKSA-N 1 0 399.314 2.735 20 0 GFADRO [NH3+][C@H](C(=O)NC[C@@H]1Cc2ccccc2CO1)c1ccc(Br)cc1 ZINC000884428642 663070599 /nfs/dbraw/zinc/07/05/99/663070599.db2.gz IYARANNJNIHGHS-IRXDYDNUSA-N 1 0 375.266 2.707 20 0 GFADRO [NH3+][C@H](C(=O)N1CCc2nc(C3CC3)ncc2C1)c1ccc(Br)cc1 ZINC000884436943 663070771 /nfs/dbraw/zinc/07/07/71/663070771.db2.gz SJNRGRGTBYMEGE-INIZCTEOSA-N 1 0 387.281 2.701 20 0 GFADRO CCC1([NH3+])CCN(C(=O)C(=O)N[C@H]2CCSc3ccc(Cl)cc32)CC1 ZINC000884523107 663072109 /nfs/dbraw/zinc/07/21/09/663072109.db2.gz QFLIYYJXPPRFAJ-AWEZNQCLSA-N 1 0 381.929 2.723 20 0 GFADRO C[C@H](CNC(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])CC1)c1c(Cl)cccc1Cl ZINC000884602570 663072948 /nfs/dbraw/zinc/07/29/48/663072948.db2.gz ORIMCGKNTYFMKY-JHJVBQTASA-N 1 0 386.323 2.847 20 0 GFADRO O=S(=O)(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1c(F)cccc1OC(F)(F)F ZINC000884956737 663079567 /nfs/dbraw/zinc/07/95/67/663079567.db2.gz FGMJVFUQWZHSOR-MNOVXSKESA-N 1 0 382.379 2.629 20 0 GFADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1cc(F)ccc1OC(F)F ZINC000885460191 663091025 /nfs/dbraw/zinc/09/10/25/663091025.db2.gz UZPLZKWULBZTEH-OLZOCXBDSA-N 1 0 378.416 2.674 20 0 GFADRO C[C@H]1CN(c2cc[nH+]cc2)CCN1S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000885844878 663099162 /nfs/dbraw/zinc/09/91/62/663099162.db2.gz CQNRBANMLANILJ-NSHDSACASA-N 1 0 387.292 2.683 20 0 GFADRO O=C(CSc1nc2ccccc2s1)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000885858806 663099405 /nfs/dbraw/zinc/09/94/05/663099405.db2.gz RCKQEUJAXSYVJW-AWEZNQCLSA-N 1 0 377.535 2.758 20 0 GFADRO Cc1c(Br)ccc(F)c1C(=O)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000885896236 663100877 /nfs/dbraw/zinc/10/08/77/663100877.db2.gz XKQAYZOLAFXHDT-ZDUSSCGKSA-N 1 0 385.277 2.880 20 0 GFADRO COc1ccc(C[NH2+]C[C@@H](O)Cc2ccccc2F)c(Br)c1O ZINC000886234671 663105465 /nfs/dbraw/zinc/10/54/65/663105465.db2.gz SLMXGJDHVHSVRS-ZDUSSCGKSA-N 1 0 384.245 2.996 20 0 GFADRO CCOc1c(Br)cc(C[NH2+][C@H]2CC[C@@H](O)[C@@H](O)CC2)cc1OC ZINC000886257547 663106342 /nfs/dbraw/zinc/10/63/42/663106342.db2.gz DFNQHXGTTAEPCI-YOWGUQMCSA-N 1 0 388.302 2.610 20 0 GFADRO Cc1nn(C)c(C[NH2+]CC[C@@H]2CCC3(CCOCC3)CO2)c1Br ZINC000886299264 663107769 /nfs/dbraw/zinc/10/77/69/663107769.db2.gz UORRQBSXNYLCDS-AWEZNQCLSA-N 1 0 386.334 2.947 20 0 GFADRO COC[C@H]([NH2+]Cc1ccc(I)cc1)[C@H]1CCCOC1 ZINC000886357614 663108805 /nfs/dbraw/zinc/10/88/05/663108805.db2.gz JJJULDDEIRPJHQ-ZFWWWQNUSA-N 1 0 375.250 2.822 20 0 GFADRO CC(C)C[C@H]1C[N@H+](C)CCN1C(=O)c1cc(Br)cn(C2CC2)c1=O ZINC000886602036 663114512 /nfs/dbraw/zinc/11/45/12/663114512.db2.gz IEXWPAMSFCCGFH-HNNXBMFYSA-N 1 0 396.329 2.748 20 0 GFADRO CN(Cc1cc(Br)cs1)C(=O)C[N@@H+]1CC[C@@]2(CO)CCC[C@@H]12 ZINC000886628227 663114943 /nfs/dbraw/zinc/11/49/43/663114943.db2.gz JUMAMQVRQUGHER-GDBMZVCRSA-N 1 0 387.343 2.706 20 0 GFADRO OCCOCC1(O)CC[NH+](Cc2cccc3c(Br)cccc23)CC1 ZINC000886749484 663117049 /nfs/dbraw/zinc/11/70/49/663117049.db2.gz UHAJJCPHIDVCSD-UHFFFAOYSA-N 1 0 394.309 2.938 20 0 GFADRO Cc1cc(Br)ccc1CS(=O)(=O)N[C@@H]1CC[NH2+]CC1(C)C ZINC000886886597 663123467 /nfs/dbraw/zinc/12/34/67/663123467.db2.gz MKRLCBMTEGYWSH-CQSZACIVSA-N 1 0 375.332 2.565 20 0 GFADRO Cc1cc(Cl)cc(C)c1S(=O)(=O)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000886887915 663123477 /nfs/dbraw/zinc/12/34/77/663123477.db2.gz LDHJBSZTHQJHAK-USXIJHARSA-N 1 0 386.945 2.864 20 0 GFADRO Cc1nc(-c2ccc(S(=O)(=O)NC[C@H]3C[NH2+]CCC3(F)F)s2)cs1 ZINC000886896945 663124057 /nfs/dbraw/zinc/12/40/57/663124057.db2.gz ZRUQKHAFJGPMDY-SNVBAGLBSA-N 1 0 393.506 2.703 20 0 GFADRO COC[C@H]([NH2+]C[C@H](O)COc1cc(Cl)cc(Cl)c1)[C@H]1CCCOC1 ZINC000886916398 663124981 /nfs/dbraw/zinc/12/49/81/663124981.db2.gz UKRNNIGRQMBHSY-NUTKFTJISA-N 1 0 378.296 2.764 20 0 GFADRO COc1cc(Br)cc(NC(=O)NC[C@H]2C[NH2+]CCC2(F)F)c1 ZINC000886938100 663125315 /nfs/dbraw/zinc/12/53/15/663125315.db2.gz DZPJZJDVSIFRSO-SECBINFHSA-N 1 0 378.217 2.824 20 0 GFADRO CCN(C(=O)C(=O)Nc1cc(Br)c2ccccc2c1)[C@@H]1CC[NH2+]C1 ZINC000887007899 663128662 /nfs/dbraw/zinc/12/86/62/663128662.db2.gz VHGLUGFTZMPRLH-CQSZACIVSA-N 1 0 390.281 2.751 20 0 GFADRO COc1cccc([C@@H]2C[NH2+]CCN2C(=O)c2ncc(Br)s2)c1 ZINC000887403761 663144351 /nfs/dbraw/zinc/14/43/51/663144351.db2.gz HSECTXBYWWWASQ-LBPRGKRZSA-N 1 0 382.283 2.701 20 0 GFADRO O=C(c1nc(C2CC2)ncc1Br)N1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000887406096 663144576 /nfs/dbraw/zinc/14/45/76/663144576.db2.gz ZRLYIPPIXQRGBZ-KRWDZBQOSA-N 1 0 379.302 2.722 20 0 GFADRO Cc1sc(Cc2ncc(Cl)n2C)nc1-c1cn(C2CC[NH2+]CC2)nn1 ZINC000887428319 663146156 /nfs/dbraw/zinc/14/61/56/663146156.db2.gz ZARHXQFXNXLBEW-UHFFFAOYSA-N 1 0 377.905 2.612 20 0 GFADRO C[C@@H](Cc1nc(-c2cn([C@H]3CCC[NH2+]C3)nn2)cs1)n1cc(Cl)cn1 ZINC000887446598 663146785 /nfs/dbraw/zinc/14/67/85/663146785.db2.gz GMEYVYBCARRYRF-AAEUAGOBSA-N 1 0 377.905 2.980 20 0 GFADRO Fc1cccc(Cl)c1-c1nc(-c2cn(C[C@@H]3C[NH2+]CCO3)nn2)cs1 ZINC000887519467 663150766 /nfs/dbraw/zinc/15/07/66/663150766.db2.gz VMCXNRPXZFZEHB-JTQLQIEISA-N 1 0 379.848 2.850 20 0 GFADRO CC[C@@H](Cc1ccccc1Br)C(=O)N1CCN(C)CC[N@H+](C)CC1 ZINC000888989762 663228472 /nfs/dbraw/zinc/22/84/72/663228472.db2.gz YKWPAYHXUYYTFK-INIZCTEOSA-N 1 0 396.373 2.724 20 0 GFADRO CN1CCN(C(=O)Cc2csc(-c3ccc(Cl)s3)n2)CC[N@H+](C)CC1 ZINC000888994166 663229042 /nfs/dbraw/zinc/22/90/42/663229042.db2.gz XBBCBKSMLKWHEM-UHFFFAOYSA-N 1 0 398.985 2.773 20 0 GFADRO O=C(CCCc1ccccc1Br)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000889761533 663264654 /nfs/dbraw/zinc/26/46/54/663264654.db2.gz GSKJXVSMZYWEGC-ZWKOTPCHSA-N 1 0 395.341 2.829 20 0 GFADRO O=C(CCOc1cccc(Cl)c1Cl)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000889775234 663265898 /nfs/dbraw/zinc/26/58/98/663265898.db2.gz UUAZGGBFYNWMPP-GJZGRUSLSA-N 1 0 387.307 2.820 20 0 GFADRO O=C(c1c[nH]c2ccc(Br)cc12)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000889779003 663266313 /nfs/dbraw/zinc/26/63/13/663266313.db2.gz CBULBBVZYSCWDH-SJORKVTESA-N 1 0 392.297 2.602 20 0 GFADRO COC(=O)CN(Cc1cccc(Br)c1)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000890162547 663286921 /nfs/dbraw/zinc/28/69/21/663286921.db2.gz NWBZHZHVSYTPCJ-ZFWWWQNUSA-N 1 0 397.313 2.681 20 0 GFADRO O=C(NC[C@H]1CC[N@@H+]1C1CCCC1)C(=O)Nc1cccc(F)c1Br ZINC000890406959 663299377 /nfs/dbraw/zinc/29/93/77/663299377.db2.gz LIOMOAALXVBDPN-GFCCVEGCSA-N 1 0 398.276 2.660 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)NCc2ccc(Br)cc2)C[C@H]1C(F)(F)F ZINC000891527811 663342254 /nfs/dbraw/zinc/34/22/54/663342254.db2.gz LQKOQHZRRUXDHP-ZYHUDNBSSA-N 1 0 380.208 2.728 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)NCCc2ccc(Br)cc2)C[C@H]1C(F)(F)F ZINC000891568045 663344078 /nfs/dbraw/zinc/34/40/78/663344078.db2.gz IHEQZNYWOPWBRI-WCQYABFASA-N 1 0 394.235 2.770 20 0 GFADRO Cc1cccc(C)c1N(C[C@@H](C)[NH+](C)C)C(=O)c1c(Br)nnn1C ZINC000891570487 663344152 /nfs/dbraw/zinc/34/41/52/663344152.db2.gz SMOLXXCSSKYINK-CYBMUJFWSA-N 1 0 394.317 2.791 20 0 GFADRO COc1ccc([C@H](C)NC(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)cc1Br ZINC000891638789 663345946 /nfs/dbraw/zinc/34/59/46/663345946.db2.gz PFPZBMDRPOWEAK-FPMFFAJLSA-N 1 0 382.302 2.722 20 0 GFADRO CC(C)([NH3+])CCNC(=O)NC1CCN(Cc2ccc(Br)cc2)CC1 ZINC000891681854 663346898 /nfs/dbraw/zinc/34/68/98/663346898.db2.gz OXQWPQHLRSIOMB-UHFFFAOYSA-N 1 0 397.361 2.840 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)NCCOCc2ccc(Cl)cc2)C[C@@H]1C(F)(F)F ZINC000891713166 663348227 /nfs/dbraw/zinc/34/82/27/663348227.db2.gz ZRSSVRPBBORWEH-JSGCOSHPSA-N 1 0 379.810 2.635 20 0 GFADRO C[NH+](C)[C@@H](CNc1nc(N)nc(C(F)(F)C(F)(F)F)n1)c1ccsc1 ZINC000891729838 663349019 /nfs/dbraw/zinc/34/90/19/663349019.db2.gz WSBFPMCJOZXSMV-QMMMGPOBSA-N 1 0 382.362 2.884 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)NCCSCc2ccnc(Cl)c2)C[C@H]1C(F)(F)F ZINC000891778664 663350060 /nfs/dbraw/zinc/35/00/60/663350060.db2.gz JHEJOFNOEUJORT-VXGBXAGGSA-N 1 0 396.866 2.747 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)NCc2cc(Cl)cc3c2OCC3)C[C@H]1C(F)(F)F ZINC000891781536 663350401 /nfs/dbraw/zinc/35/04/01/663350401.db2.gz BEVJORHFPSDGGJ-WCQYABFASA-N 1 0 377.794 2.554 20 0 GFADRO C[C@]12C[NH2+]C[C@H]1CN(C(=O)NCc1cc3cc(Br)ccc3[nH]1)C2 ZINC000891801327 663350939 /nfs/dbraw/zinc/35/09/39/663350939.db2.gz BWVRPFCSXLSDGD-YVEFUNNKSA-N 1 0 377.286 2.681 20 0 GFADRO CCCOC[C@@H](Cc1cccc(Br)c1)NC(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000891813341 663351570 /nfs/dbraw/zinc/35/15/70/663351570.db2.gz YQOLYTXFAXLLSI-DJIMGWMZSA-N 1 0 398.345 2.823 20 0 GFADRO CCN(C(=O)NCc1nc2cc(Br)ccc2n1CC)[C@@H]1CC[NH2+]C1 ZINC000891851287 663352890 /nfs/dbraw/zinc/35/28/90/663352890.db2.gz JRSWINFKLNVVGP-CYBMUJFWSA-N 1 0 394.317 2.712 20 0 GFADRO Brc1cnc(N2CCC(C[NH+]3CCOCC3)CC2)c2ncccc12 ZINC000891860921 663353182 /nfs/dbraw/zinc/35/31/82/663353182.db2.gz LBBDFYGJORAVKY-UHFFFAOYSA-N 1 0 391.313 2.941 20 0 GFADRO COC[C@H](NC(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1)c1cccc(Cl)c1 ZINC000891900763 663354663 /nfs/dbraw/zinc/35/46/63/663354663.db2.gz BGJSBODRLKHQOE-XBFCOCLRSA-N 1 0 379.810 2.806 20 0 GFADRO CC(C)(C)n1nc(Br)c2c1ncnc2N1CC[NH+](C2CC2)CC1 ZINC000892075925 663361200 /nfs/dbraw/zinc/36/12/00/663361200.db2.gz QCRCJFXHQZVTLK-UHFFFAOYSA-N 1 0 379.306 2.628 20 0 GFADRO CC(C)[N@H+](CCS(C)(=O)=O)C[C@]1(C)CCCN(C(=O)OC(C)(C)C)C1 ZINC000892125504 663362726 /nfs/dbraw/zinc/36/27/26/663362726.db2.gz XPAWXTUXBUDCOT-SFHVURJKSA-N 1 0 376.563 2.779 20 0 GFADRO [NH3+][C@H](CCNC(=O)N1CCSC[C@@H]1c1nccs1)Cc1ccccc1 ZINC000892406453 663372305 /nfs/dbraw/zinc/37/23/05/663372305.db2.gz ZNOVJIAPBQEPGF-HZPDHXFCSA-N 1 0 376.551 2.903 20 0 GFADRO [NH3+]CC12CCC(CC1)N2C(=O)N[C@@H]1[C@H]2Cc3cc(Br)ccc3[C@@H]12 ZINC000892427163 663373428 /nfs/dbraw/zinc/37/34/28/663373428.db2.gz LHTNUBQHHWYPHE-WULDTXAISA-N 1 0 376.298 2.753 20 0 GFADRO COC[C@@H](NC(=O)N1C2CCC1(C[NH3+])CC2)c1cccc(Br)c1 ZINC000892454499 663374249 /nfs/dbraw/zinc/37/42/49/663374249.db2.gz URXNBOCQNHTRIB-ISXOHVOVSA-N 1 0 382.302 2.802 20 0 GFADRO CC1(C)C[NH2+]CC[C@@H](NC(=O)N[C@H](CO)c2ccc(Br)cc2)C1 ZINC000892478370 663374913 /nfs/dbraw/zinc/37/49/13/663374913.db2.gz LEVZCDUBHHZBKP-HUUCEWRRSA-N 1 0 384.318 2.560 20 0 GFADRO O=C(NCc1ccc(C(F)(F)F)s1)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000892699758 663382235 /nfs/dbraw/zinc/38/22/35/663382235.db2.gz INMOKELRDJMVTG-LLVKDONJSA-N 1 0 377.432 2.725 20 0 GFADRO COc1cc(Br)c(C(=O)N[C@]2(C)C[NH+]3CCC2CC3)cc1OC ZINC000892772452 663384420 /nfs/dbraw/zinc/38/44/20/663384420.db2.gz ZOYKNVCCGDKRDS-QGZVFWFLSA-N 1 0 383.286 2.680 20 0 GFADRO CN(Cc1nc(C(F)(F)F)cs1)C(=O)N1CCc2sc(C[NH3+])nc2C1 ZINC000892880601 663388146 /nfs/dbraw/zinc/38/81/46/663388146.db2.gz HYVZUYMIOAVEOI-UHFFFAOYSA-N 1 0 391.444 2.687 20 0 GFADRO CC(C)(C)OC(=O)Nc1ccsc1C[NH2+]CC(C)(C)NS(C)(=O)=O ZINC000892880794 663388188 /nfs/dbraw/zinc/38/81/88/663388188.db2.gz JNLRUILQCJLDPT-UHFFFAOYSA-N 1 0 377.532 2.513 20 0 GFADRO Cc1nc(Br)sc1C(=O)N1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000893446262 663411860 /nfs/dbraw/zinc/41/18/60/663411860.db2.gz DSOPTVRFQLFPPQ-JTQLQIEISA-N 1 0 381.299 2.960 20 0 GFADRO CC(=O)Nc1cc(Br)ccc1C[NH2+]CCCCCS(C)(=O)=O ZINC000893685506 663420091 /nfs/dbraw/zinc/42/00/91/663420091.db2.gz OULRQPWXFVCYIT-UHFFFAOYSA-N 1 0 391.331 2.712 20 0 GFADRO COc1cc(Br)ccc1[C@H](C)[NH2+][C@H](C)[C@@H]1CCS(=O)(=O)C1 ZINC000893945421 663432944 /nfs/dbraw/zinc/43/29/44/663432944.db2.gz IOVWREHGKYZGDH-GRYCIOLGSA-N 1 0 376.316 2.932 20 0 GFADRO Cc1ncoc1C[N@@H+]1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000893961923 663433644 /nfs/dbraw/zinc/43/36/44/663433644.db2.gz GUTIXQFCAMQLFK-LBPRGKRZSA-N 1 0 379.258 2.991 20 0 GFADRO Cn1ncc(I)c1C[NH2+]CCCn1cnc2ccccc21 ZINC000894152142 663445726 /nfs/dbraw/zinc/44/57/26/663445726.db2.gz GIDIYLFZGQAQSS-UHFFFAOYSA-N 1 0 395.248 2.554 20 0 GFADRO Cc1nn(-c2ccccc2)cc1CCC[NH2+]Cc1nc(Br)nn1C ZINC000894199973 663448166 /nfs/dbraw/zinc/44/81/66/663448166.db2.gz NUGDQHWZXMKLMV-UHFFFAOYSA-N 1 0 389.301 2.794 20 0 GFADRO Cn1nc(Br)nc1CNC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000894209184 663448751 /nfs/dbraw/zinc/44/87/51/663448751.db2.gz POWRNFRNLVTQIE-LBPRGKRZSA-N 1 0 384.347 2.641 20 0 GFADRO Cc1ccc([C@@H](CNCc2nc(Br)nn2C)[NH+]2CCCC2)cc1 ZINC000894211802 663449135 /nfs/dbraw/zinc/44/91/35/663449135.db2.gz UFYQHZRIABINHY-OAHLLOKOSA-N 1 0 378.318 2.813 20 0 GFADRO COC(=O)[C@@H]1[C@@H](C[NH2+]Cc2cc(Br)c(OC)c(OC)c2)C1(F)F ZINC000894244264 663450834 /nfs/dbraw/zinc/45/08/34/663450834.db2.gz WJLIRNRJKOSKJN-SKDRFNHKSA-N 1 0 394.212 2.610 20 0 GFADRO CCc1[nH]c(C[NH2+][C@@H](CO)c2cccc(Br)c2)cc1C(=O)OC ZINC000894329877 663455047 /nfs/dbraw/zinc/45/50/47/663455047.db2.gz LLXCBDPEMSMSTD-INIZCTEOSA-N 1 0 381.270 2.949 20 0 GFADRO Cn1cc(C[NH2+]CCCCC(=O)OC(C)(C)C)c(I)n1 ZINC000894373333 663458694 /nfs/dbraw/zinc/45/86/94/663458694.db2.gz SMDDBJDBYAQIOF-UHFFFAOYSA-N 1 0 393.269 2.626 20 0 GFADRO Oc1cc(Br)cnc1C[NH2+]Cc1cccc(N2CCOCC2)c1 ZINC000894610642 663472011 /nfs/dbraw/zinc/47/20/11/663472011.db2.gz MBQFTRVQKZFNKK-UHFFFAOYSA-N 1 0 378.270 2.676 20 0 GFADRO CC(C)(C)OC(=O)N1CCCO[C@H](C[NH2+]C[C@@H]2C[C@]2(C)Br)C1 ZINC000894769460 663480655 /nfs/dbraw/zinc/48/06/55/663480655.db2.gz MRDQTJRSOKLYLM-ZENOOKHLSA-N 1 0 377.323 2.776 20 0 GFADRO C[C@@H]([NH2+]C1CCN(Cc2ccccc2Br)CC1)C1N=NC(=O)N1C ZINC000895177848 663501973 /nfs/dbraw/zinc/50/19/73/663501973.db2.gz SLBILACRTRCXJJ-GFCCVEGCSA-N 1 0 394.317 2.598 20 0 GFADRO CCOC(=O)c1ncc(Br)c(N2CC[NH2+]C3(CCCCC3)C2)n1 ZINC000895252882 663505252 /nfs/dbraw/zinc/50/52/52/663505252.db2.gz IMRSSZJJVVZUNU-UHFFFAOYSA-N 1 0 383.290 2.528 20 0 GFADRO C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)c1cnc(F)c(Br)c1 ZINC000895264517 663505838 /nfs/dbraw/zinc/50/58/38/663505838.db2.gz BVUPADAERKKIBC-LLVKDONJSA-N 1 0 379.233 2.729 20 0 GFADRO Cn1ncc(I)c1C[NH2+][C@H]1CCC[C@@H]1Cc1ccccn1 ZINC000895277820 663506588 /nfs/dbraw/zinc/50/65/88/663506588.db2.gz CEVHSDUCPSBAJI-DOMZBBRYSA-N 1 0 396.276 2.921 20 0 GFADRO Cn1cc(C[NH2+]CCc2nsc3ccccc32)c(I)n1 ZINC000895337891 663508822 /nfs/dbraw/zinc/50/88/22/663508822.db2.gz ZOOZSTICTDKSIV-UHFFFAOYSA-N 1 0 398.273 2.967 20 0 GFADRO CCOC(=O)[C@@]1(C)CCC[C@@H]1[NH2+]Cc1sc(N2CCOCC2)nc1Cl ZINC000895339933 663508932 /nfs/dbraw/zinc/50/89/32/663508932.db2.gz DAYOJHSZZQCNKZ-GUYCJALGSA-N 1 0 387.933 2.845 20 0 GFADRO CC(=O)Nc1cc(Br)ccc1C[NH2+]C1CCN([C@@H]2CCOC2)CC1 ZINC000895435553 663513830 /nfs/dbraw/zinc/51/38/30/663513830.db2.gz IKZDYXFKQVTRCP-QGZVFWFLSA-N 1 0 396.329 2.750 20 0 GFADRO Cn1nc(Br)nc1C[NH2+][C@@H]1[C@H]2Cc3cc(Br)ccc3[C@@H]12 ZINC000895440947 663514020 /nfs/dbraw/zinc/51/40/20/663514020.db2.gz WDUVYRBSZKAGLL-CYZMBNFOSA-N 1 0 398.102 2.768 20 0 GFADRO CC(C)(C)OC(=O)[C@H]1C[C@@H]([NH2+]Cc2sc(N3CCOCC3)nc2Cl)C1 ZINC000895456975 663514989 /nfs/dbraw/zinc/51/49/89/663514989.db2.gz KBBIEBBSKFCTGX-TXEJJXNPSA-N 1 0 387.933 2.843 20 0 GFADRO CC[C@@H](Cc1ccc(Br)cc1)[NH2+][C@@H]1C(=O)NCC12CCOCC2 ZINC000895765999 663526766 /nfs/dbraw/zinc/52/67/66/663526766.db2.gz QPGGLQVDRCDXRD-JKSUJKDBSA-N 1 0 381.314 2.655 20 0 GFADRO Oc1cc(Br)cnc1C[NH2+]Cc1ccnc(N2CCSCC2)c1 ZINC000895768534 663527031 /nfs/dbraw/zinc/52/70/31/663527031.db2.gz DYKOKDCOJXLPJD-UHFFFAOYSA-N 1 0 395.326 2.788 20 0 GFADRO O=C(COCCc1ccc(Br)cc1)NC1CC[NH+](CC2CC2)CC1 ZINC000895788420 663527836 /nfs/dbraw/zinc/52/78/36/663527836.db2.gz UIIWBNGNEFNMDR-UHFFFAOYSA-N 1 0 395.341 2.999 20 0 GFADRO F[C@@H]1CC2(CC[C@H]1[NH2+][C@@H]1COc3cccc(Br)c3C1)OCCO2 ZINC000895855036 663530589 /nfs/dbraw/zinc/53/05/89/663530589.db2.gz JAZMJICRESPQIT-NILFDRSVSA-N 1 0 386.261 2.976 20 0 GFADRO CN(C)S(=O)(=O)C1(C[NH2+]Cc2sccc2NC(=O)OC(C)(C)C)CC1 ZINC000896054878 663539305 /nfs/dbraw/zinc/53/93/05/663539305.db2.gz IKJRPAGQUVAKEN-UHFFFAOYSA-N 1 0 389.543 2.609 20 0 GFADRO FC(F)(F)[C@@H]1CC[C@H](C[NH2+]Cc2sc(N3CCOCC3)nc2Cl)O1 ZINC000896280626 663548795 /nfs/dbraw/zinc/54/87/95/663548795.db2.gz PAXVKWVRGXACEM-KOLCDFICSA-N 1 0 385.839 2.833 20 0 GFADRO CC(C)(C)OC(=O)NC1CCN(CC[NH2+]C[C@@H]2C[C@]2(C)Br)CC1 ZINC000896344846 663552152 /nfs/dbraw/zinc/55/21/52/663552152.db2.gz PKNNDJBUNNDZDR-GUYCJALGSA-N 1 0 390.366 2.739 20 0 GFADRO C[C@H](NC(=O)c1ccc2ccc(Br)cc2c1)[C@H]1C[N@H+](C)CCN1C ZINC000896525963 663560518 /nfs/dbraw/zinc/56/05/18/663560518.db2.gz CJLCNWWTOUHKMG-SCLBCKFNSA-N 1 0 390.325 2.966 20 0 GFADRO C[C@@H](NC(=O)c1cc(Br)ccc1C1CC1)[C@@H]1C[N@H+](C)CCN1C ZINC000896531268 663561165 /nfs/dbraw/zinc/56/11/65/663561165.db2.gz ZAFRYCBIBDVBGY-PXAZEXFGSA-N 1 0 380.330 2.691 20 0 GFADRO C[C@@H](NC(=O)[C@H](C)Sc1nc2ccccc2s1)[C@@H]1C[N@H+](C)CCN1C ZINC000896551530 663563778 /nfs/dbraw/zinc/56/37/78/663563778.db2.gz DUAXXMGMQCVKMD-IPYPFGDCSA-N 1 0 378.567 2.527 20 0 GFADRO C[C@H](NC(=O)c1csc(-c2ccccc2Cl)n1)[C@@H]1C[N@H+](C)CCN1C ZINC000896564354 663564075 /nfs/dbraw/zinc/56/40/75/663564075.db2.gz PQYNIVDQXVLOPN-LRDDRELGSA-N 1 0 378.929 2.828 20 0 GFADRO COc1cc(Br)cc(CNC(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3C)c1 ZINC000896649311 663569385 /nfs/dbraw/zinc/56/93/85/663569385.db2.gz HFZUBNOMDZJBSW-CVEARBPZSA-N 1 0 382.302 2.836 20 0 GFADRO CO[C@]1(C[NH2+][C@@H](C)COc2ccc(Cl)c(Cl)c2)CCS(=O)(=O)C1 ZINC000896682243 663571344 /nfs/dbraw/zinc/57/13/44/663571344.db2.gz JXPUSHHVTRNFMO-NHYWBVRUSA-N 1 0 382.309 2.554 20 0 GFADRO Cc1[nH+]cc2n1C[C@@H](c1nc([C@H](C)n3cc(Br)cn3)no1)CC2 ZINC000896700294 663572379 /nfs/dbraw/zinc/57/23/79/663572379.db2.gz FAILZSWITYNSFL-ONGXEEELSA-N 1 0 377.246 2.873 20 0 GFADRO O[C@@H]1CCOC2(CC[NH+](Cc3cc(Br)cc4c3OCC4)CC2)C1 ZINC000897260519 663597168 /nfs/dbraw/zinc/59/71/68/663597168.db2.gz FBDKGYBOXKAFQL-MRXNPFEDSA-N 1 0 382.298 2.890 20 0 GFADRO C[C@@H](C[NH2+]C1CCN(S(C)(=O)=O)CC1)c1ccc(Br)cc1 ZINC000897471062 663606896 /nfs/dbraw/zinc/60/68/96/663606896.db2.gz JZUZREIYTFENMU-LBPRGKRZSA-N 1 0 375.332 2.566 20 0 GFADRO OCCOC1(C[NH2+][C@H]2CCO[C@H](C(F)(F)F)C2)CCC(C(F)F)CC1 ZINC000897541480 663609578 /nfs/dbraw/zinc/60/95/78/663609578.db2.gz SKOZIBHFFLQOBZ-FMPXUHTOSA-N 1 0 375.378 2.889 20 0 GFADRO CC(C)(C)OC(=O)N1C[C@H]([NH2+]Cc2ccc(S(C)(=O)=O)s2)C(C)(C)C1 ZINC000897552912 663609962 /nfs/dbraw/zinc/60/99/62/663609962.db2.gz XXQJTBZZJUZEQP-ZDUSSCGKSA-N 1 0 388.555 2.887 20 0 GFADRO C[N@@H+]1CCCC[C@H](CNC(=O)N2CCC[C@@H]2c2ncc(Br)cn2)C1 ZINC000897561904 663610994 /nfs/dbraw/zinc/61/09/94/663610994.db2.gz KVXXSNCVKSUDMV-UKRRQHHQSA-N 1 0 396.333 2.818 20 0 GFADRO C[C@@]1(Br)C[C@H]1C[NH+]1CCC(c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000897572154 663611886 /nfs/dbraw/zinc/61/18/86/663611886.db2.gz LUVPFALZQSXDSR-GOEBONIOSA-N 1 0 387.343 2.687 20 0 GFADRO CCO[P@](C)(=O)CC[C@H](C)[NH2+]C[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1 ZINC000897695686 663616117 /nfs/dbraw/zinc/61/61/17/663616117.db2.gz OUJSWZRIQYSQEQ-LIHGKODYSA-N 1 0 378.450 2.671 20 0 GFADRO CC(C)(C)OC(=O)N1CC[C@](O)(C[NH2+]Cc2c(Cl)cncc2Cl)C1 ZINC000897695393 663616160 /nfs/dbraw/zinc/61/61/60/663616160.db2.gz HGOIIESUCCRVNB-INIZCTEOSA-N 1 0 376.284 2.850 20 0 GFADRO C[NH+](C)Cc1cc(CNC(=O)C(=O)NCc2cscc2Cl)ccc1F ZINC000897716545 663617004 /nfs/dbraw/zinc/61/70/04/663617004.db2.gz FYCTXXZXLUBXDD-UHFFFAOYSA-N 1 0 383.876 2.535 20 0 GFADRO CCOC(=O)C1([C@@H](C)[NH2+]Cc2nccc(C)c2Br)CCOCC1 ZINC000897737791 663617886 /nfs/dbraw/zinc/61/78/86/663617886.db2.gz UPCPMSMEIQKZDA-CYBMUJFWSA-N 1 0 385.302 2.991 20 0 GFADRO O=C(N[C@H](CCO)c1ccc(Cl)c(Cl)c1)C1C[NH+](C2CCOCC2)C1 ZINC000897738436 663617923 /nfs/dbraw/zinc/61/79/23/663617923.db2.gz BHBLEXZYENLFLD-QGZVFWFLSA-N 1 0 387.307 2.644 20 0 GFADRO C[NH+](C)CCN(C(=O)c1cc(Br)cnc1Br)C1CC1 ZINC000898017225 663630303 /nfs/dbraw/zinc/63/03/03/663630303.db2.gz JMEPXJFFKOXEBN-UHFFFAOYSA-N 1 0 391.107 2.773 20 0 GFADRO C[C@@H](Cc1ccc(F)cc1Br)[NH2+][C@H]1CCN(c2cc(=O)[nH]cn2)C1 ZINC000898152666 663635976 /nfs/dbraw/zinc/63/59/76/663635976.db2.gz NBAPUPQLTDFXCO-FZMZJTMJSA-N 1 0 395.276 2.883 20 0 GFADRO COC(=O)c1cc(C[NH2+][C@](C)(CO)c2cccc(Br)c2)[nH]c1C ZINC000898168646 663636527 /nfs/dbraw/zinc/63/65/27/663636527.db2.gz LSLOQCFPWHCBCL-QGZVFWFLSA-N 1 0 381.270 2.870 20 0 GFADRO COC(=O)C1(CCCC[NH2+]Cc2ccc(Cl)c(S(N)(=O)=O)c2)CCC1 ZINC000898412393 663648927 /nfs/dbraw/zinc/64/89/27/663648927.db2.gz PMMDQVKMZCKOPD-UHFFFAOYSA-N 1 0 388.917 2.591 20 0 GFADRO O=C(c1cc(Br)ncc1Br)N1CC([NH+]2CCCC2)C1 ZINC000898598970 663657599 /nfs/dbraw/zinc/65/75/99/663657599.db2.gz XWCSYICTFPDZBS-UHFFFAOYSA-N 1 0 389.091 2.527 20 0 GFADRO O=C(Cc1cccc(Br)c1)NC1CC[NH+](C2CCOCC2)CC1 ZINC000898630584 663658341 /nfs/dbraw/zinc/65/83/41/663658341.db2.gz HRYZUOBCRXYRRZ-UHFFFAOYSA-N 1 0 381.314 2.751 20 0 GFADRO FC(F)(F)Cn1ccnc1C[NH2+][C@@H]1CCc2ncc(Br)n2C1 ZINC000898723896 663661007 /nfs/dbraw/zinc/66/10/07/663661007.db2.gz JGCUTLWHLFSKTF-SECBINFHSA-N 1 0 378.196 2.509 20 0 GFADRO C[C@@H](CC(=O)N(C)c1ccccc1)[NH2+][C@H]1CCc2ncc(Br)n2C1 ZINC000898724214 663661298 /nfs/dbraw/zinc/66/12/98/663661298.db2.gz MBDIDOHBXOLNPA-KBPBESRZSA-N 1 0 391.313 2.992 20 0 GFADRO COc1cc(OC)c(OC)cc1C[NH2+][C@@H]1CCc2ncc(Br)n2C1 ZINC000898726426 663661666 /nfs/dbraw/zinc/66/16/66/663661666.db2.gz IRZLOMSSRVUBAN-GFCCVEGCSA-N 1 0 396.285 2.776 20 0 GFADRO Brc1cnc2n1C[C@H]([NH2+]C1CCN(c3ccccn3)CC1)CC2 ZINC000898725233 663661700 /nfs/dbraw/zinc/66/17/00/663661700.db2.gz RYOWQRLQZSCNQU-CQSZACIVSA-N 1 0 376.302 2.614 20 0 GFADRO COc1cc(C[NH2+][C@H]2CCc3ncc(Br)n3C2)cc2c1OCCO2 ZINC000898726716 663661845 /nfs/dbraw/zinc/66/18/45/663661845.db2.gz LWCUOJCTKLZNGB-LBPRGKRZSA-N 1 0 394.269 2.530 20 0 GFADRO O=C(N[C@H]1CC[N@@H+](C2CCCCC2)C1)c1nn2c(c1Br)CCC2 ZINC000898782471 663663989 /nfs/dbraw/zinc/66/39/89/663663989.db2.gz JEWIVBFFNDOHGH-LBPRGKRZSA-N 1 0 381.318 2.729 20 0 GFADRO Cc1ccc2c(c1Br)CN(C(=O)C1C[NH+](C3CCOCC3)C1)C2 ZINC000898987292 663671910 /nfs/dbraw/zinc/67/19/10/663671910.db2.gz WGXOBIBRHSHNPG-UHFFFAOYSA-N 1 0 379.298 2.711 20 0 GFADRO Cc1[nH]c(=S)sc1CC(=O)Nc1ccc(NC2=[NH+]CCN2)c(Cl)c1 ZINC000899050615 663673378 /nfs/dbraw/zinc/67/33/78/663673378.db2.gz OPGDXRHTYJZONZ-UHFFFAOYSA-N 1 0 381.914 2.946 20 0 GFADRO Cn1cc(NC(=S)N(CC[NH+](C)C)Cc2ccc(Br)cc2)cn1 ZINC000899459862 663689063 /nfs/dbraw/zinc/68/90/63/663689063.db2.gz KRPOFHOIAYLHDV-UHFFFAOYSA-N 1 0 396.358 2.943 20 0 GFADRO CCC1([NH+]2CCC2)CCN(C(=O)c2cnn3cc(Br)cnc23)CC1 ZINC000899558408 663693743 /nfs/dbraw/zinc/69/37/43/663693743.db2.gz JPLPTOOUSQZTTL-UHFFFAOYSA-N 1 0 392.301 2.582 20 0 GFADRO Cc1ccc(Br)c(C(=O)N2CCC[C@H]([NH2+]C3CCOCC3)C2)n1 ZINC000899927443 663702767 /nfs/dbraw/zinc/70/27/67/663702767.db2.gz QNNIDMYKMLKBID-AWEZNQCLSA-N 1 0 382.302 2.526 20 0 GFADRO CC1(C)CC(NC(=O)CNC(=O)c2cnc(Cl)c(Cl)c2)CC(C)(C)[NH2+]1 ZINC000900065692 663707489 /nfs/dbraw/zinc/70/74/89/663707489.db2.gz LOZVGQZVRCLTOA-UHFFFAOYSA-N 1 0 387.311 2.544 20 0 GFADRO CC(C)[NH+]1CCN(CCC(=O)NC2(c3ccc(Br)cc3)CC2)CC1 ZINC000900283512 663711561 /nfs/dbraw/zinc/71/15/61/663711561.db2.gz GYKOTIQCYCHPHF-UHFFFAOYSA-N 1 0 394.357 2.971 20 0 GFADRO C[NH+](C)CCn1nccc1C(=O)N[C@@H]1CCc2c1cccc2Br ZINC000900541149 663716581 /nfs/dbraw/zinc/71/65/81/663716581.db2.gz BODFNKCSSLPULL-OAHLLOKOSA-N 1 0 377.286 2.625 20 0 GFADRO O=C([C@@H]1CC[C@@H]2CCCC[N@@H+]21)N1CCC(n2cc(Br)cn2)CC1 ZINC000900645545 663718744 /nfs/dbraw/zinc/71/87/44/663718744.db2.gz SFRYAAPXBBMWEB-HOCLYGCPSA-N 1 0 381.318 2.826 20 0 GFADRO Cc1ccc(F)c(Br)c1C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000900674611 663719448 /nfs/dbraw/zinc/71/94/48/663719448.db2.gz KWIQUQOCDLWZTJ-CYBMUJFWSA-N 1 0 398.320 2.795 20 0 GFADRO CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2CCc3ncc(Br)n3C2)o1 ZINC000900935182 663727184 /nfs/dbraw/zinc/72/71/84/663727184.db2.gz VLKXRYJEEJYVFS-GFCCVEGCSA-N 1 0 395.301 2.825 20 0 GFADRO COc1ccccc1NC(=O)[C@H](C)[NH2+][C@H]1CCc2ncc(Br)n2C1 ZINC000901726764 663743554 /nfs/dbraw/zinc/74/35/54/663743554.db2.gz ARMSPZNMBSJBHW-RYUDHWBXSA-N 1 0 393.285 2.586 20 0 GFADRO C[C@H]([NH2+][C@H]1CCc2ncc(Br)n2C1)C(=O)Nc1c(F)cccc1F ZINC000901728389 663743803 /nfs/dbraw/zinc/74/38/03/663743803.db2.gz MHRBJWIBUMPDSY-UWVGGRQHSA-N 1 0 399.239 2.855 20 0 GFADRO OCC[N@@H+]1CCC[C@H]2[C@@H]1CCN2Cn1nc(-c2ccccc2)sc1=S ZINC000902645406 663765046 /nfs/dbraw/zinc/76/50/46/663765046.db2.gz UNWMKFMPJVZNLN-HOTGVXAUSA-N 1 0 376.551 2.830 20 0 GFADRO C[C@@H]([NH2+]CCn1cc(Br)ccc1=O)[C@H]1COc2ccccc2C1 ZINC000903003621 663770689 /nfs/dbraw/zinc/77/06/89/663770689.db2.gz XCXAPXZSWIFMMJ-UKRRQHHQSA-N 1 0 377.282 2.840 20 0 GFADRO C[NH+]1CCN(c2ccccc2NS(=O)(=O)C[C@]2(C)CC2(Cl)Cl)CC1 ZINC000903085515 663772724 /nfs/dbraw/zinc/77/27/24/663772724.db2.gz XAABZXZXEBEDNC-HNNXBMFYSA-N 1 0 392.352 2.764 20 0 GFADRO C[C@@H]([NH2+]CCCO[C@@H]1CCOC1)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000903109396 663773979 /nfs/dbraw/zinc/77/39/79/663773979.db2.gz FKMVGCUUSRPPEW-TZMCWYRMSA-N 1 0 381.416 2.826 20 0 GFADRO C[C@H]([NH2+]C[C@@H]1CC[C@H](C(F)(F)F)O1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000903181936 663777366 /nfs/dbraw/zinc/77/73/66/663777366.db2.gz YNWSNTMFAKNRRP-CORIIIEPSA-N 1 0 380.432 2.697 20 0 GFADRO COc1cccc(NC(=O)C[C@H](C)[NH2+]Cc2cn(C)nc2Br)c1 ZINC000903188999 663777638 /nfs/dbraw/zinc/77/76/38/663777638.db2.gz MBVYSLXHWZADFO-NSHDSACASA-N 1 0 381.274 2.698 20 0 GFADRO O=S(=O)(/C=C\c1cccc(Br)c1)N1CCC([NH+]2CCC2)CC1 ZINC000903202584 663778216 /nfs/dbraw/zinc/77/82/16/663778216.db2.gz DXFVKOLSSJFZPF-GHXNOFRVSA-N 1 0 385.327 2.920 20 0 GFADRO C[C@@H]([NH2+][C@@H](C)c1cccc(S(=O)(=O)C(F)(F)F)c1)[C@H](O)C(F)(F)F ZINC000903214393 663778841 /nfs/dbraw/zinc/77/88/41/663778841.db2.gz ZSRZQVLNLVDLCS-RNSXUZJQSA-N 1 0 379.322 2.942 20 0 GFADRO Cc1cc(CC[NH2+][C@@H](C)c2cccc(S(=O)(=O)C(F)(F)F)c2)nn1C ZINC000903224598 663778975 /nfs/dbraw/zinc/77/89/75/663778975.db2.gz YVNZTKZOECNHNL-LBPRGKRZSA-N 1 0 375.416 2.915 20 0 GFADRO CO[C@@]1(C[NH2+][C@H]2CCCc3c4cc(Cl)ccc4[nH]c32)CCS(=O)(=O)C1 ZINC000903362327 663782592 /nfs/dbraw/zinc/78/25/92/663782592.db2.gz DNEYMILGYROIFE-FUHWJXTLSA-N 1 0 382.913 2.992 20 0 GFADRO Cc1cc(Br)cc2c1[C@@H]([NH2+]CCCn1ccc(=O)[nH]c1=O)CC2 ZINC000903428273 663784426 /nfs/dbraw/zinc/78/44/26/663784426.db2.gz FQFHKABAWKLMIE-AWEZNQCLSA-N 1 0 378.270 2.687 20 0 GFADRO O=c1ccn(CCC[NH2+][C@@H]2CCCOc3cc(Br)ccc32)c(=O)[nH]1 ZINC000903433161 663784580 /nfs/dbraw/zinc/78/45/80/663784580.db2.gz VMRYYWSSJCVYRS-CQSZACIVSA-N 1 0 394.269 2.605 20 0 GFADRO O=c1ccn(CCC[NH2+][C@@H]2CCCc3c(Br)cccc32)c(=O)[nH]1 ZINC000903431891 663784586 /nfs/dbraw/zinc/78/45/86/663784586.db2.gz CGDUXQAYRGABDN-OAHLLOKOSA-N 1 0 378.270 2.769 20 0 GFADRO C[C@@H]([NH2+][C@@H]1CCN(c2cn[nH]c(=O)c2Cl)C1)c1cccc(Br)n1 ZINC000903434071 663784725 /nfs/dbraw/zinc/78/47/25/663784725.db2.gz IPJDUPHSVWJRLE-NXEZZACHSA-N 1 0 398.692 2.923 20 0 GFADRO C[C@@H]([NH2+][C@H]1CCc2ncc(Br)n2C1)C1(NC(=O)OC(C)(C)C)CC1 ZINC000903480107 663785514 /nfs/dbraw/zinc/78/55/14/663785514.db2.gz NZHPENWISAHEBC-NEPJUHHUSA-N 1 0 399.333 2.996 20 0 GFADRO O=S(=O)(Cc1cccc(Cl)c1Br)NC[C@@H]1CCC[NH2+]C1 ZINC000903511410 663786115 /nfs/dbraw/zinc/78/61/15/663786115.db2.gz RYVIIFKZPBQOOT-SNVBAGLBSA-N 1 0 381.723 2.522 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCN(S(=O)(=O)Cc2cccc(Cl)c2Br)C1 ZINC000903518109 663786713 /nfs/dbraw/zinc/78/67/13/663786713.db2.gz MMWSDUZPBABMIV-UWVGGRQHSA-N 1 0 381.723 2.601 20 0 GFADRO C[C@@H]1CN(S(=O)(=O)c2c[nH]c3cc(Br)ccc32)C[C@H]1CC[NH3+] ZINC000903516861 663786729 /nfs/dbraw/zinc/78/67/29/663786729.db2.gz DACBDUQWIBAEEN-GHMZBOCLSA-N 1 0 386.315 2.536 20 0 GFADRO COC(=O)c1c(Cl)cccc1S(=O)(=O)N1CCC(C(C)(C)C[NH3+])CC1 ZINC000903523009 663787100 /nfs/dbraw/zinc/78/71/00/663787100.db2.gz OBYIZBHVEMVOEG-UHFFFAOYSA-N 1 0 388.917 2.512 20 0 GFADRO [NH3+]CC1([C@@H]2CCCCN2S(=O)(=O)c2c(Cl)nc3sccn32)CCC1 ZINC000903546464 663788197 /nfs/dbraw/zinc/78/81/97/663788197.db2.gz KCUWCRSMAXQMAB-NSHDSACASA-N 1 0 388.946 2.721 20 0 GFADRO [NH3+]CC1([C@H]2CCCCN2S(=O)(=O)c2occc2Br)CCC1 ZINC000903547235 663788264 /nfs/dbraw/zinc/78/82/64/663788264.db2.gz SMYGUVTYDFZDCI-GFCCVEGCSA-N 1 0 377.304 2.714 20 0 GFADRO O=S(=O)(NC1(C2CC[NH2+]CC2)CC1)c1cccc(Br)c1Cl ZINC000903557984 663788640 /nfs/dbraw/zinc/78/86/40/663788640.db2.gz KYDYQTXEMLRVEJ-UHFFFAOYSA-N 1 0 393.734 2.913 20 0 GFADRO [NH3+]C[C@]12CC[C@H]1CCN2S(=O)(=O)c1cc(Br)sc1Cl ZINC000903588083 663790665 /nfs/dbraw/zinc/79/06/65/663790665.db2.gz DLPLGACCHSHPAB-WRWORJQWSA-N 1 0 385.736 2.666 20 0 GFADRO [NH3+]C[C@@]12CC[C@H]1CCN2S(=O)(=O)c1ccc(Cl)cc1Br ZINC000903590586 663790795 /nfs/dbraw/zinc/79/07/95/663790795.db2.gz WZRIWDQQVCNCQU-ZANVPECISA-N 1 0 379.707 2.604 20 0 GFADRO Fc1ccc([C@@H]2CN(C[C@H]3C[C@@]4(CC[NH2+]C4)CO3)CCO2)cc1Br ZINC000903757389 663805908 /nfs/dbraw/zinc/80/59/08/663805908.db2.gz ZIACBDNHWPALPS-FHLIZLRMSA-N 1 0 399.304 2.730 20 0 GFADRO Cc1cc(Br)ccc1CN(C)Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903910352 663810894 /nfs/dbraw/zinc/81/08/94/663810894.db2.gz LREOYYXUTAPENM-INIZCTEOSA-N 1 0 378.318 2.906 20 0 GFADRO Brc1ccc([C@@H]2CCCN2Cc2cnnn2[C@H]2CCC[NH2+]C2)nc1 ZINC000903929921 663812284 /nfs/dbraw/zinc/81/22/84/663812284.db2.gz OBRXOXZHBZXKTL-YOEHRIQHSA-N 1 0 391.317 2.697 20 0 GFADRO Fc1c(Br)ccc2c1CN(Cc1cnnn1[C@@H]1CCC[NH2+]C1)CC2 ZINC000903985952 663815503 /nfs/dbraw/zinc/81/55/03/663815503.db2.gz CZQNMBVRRXCWRC-CYBMUJFWSA-N 1 0 394.292 2.663 20 0 GFADRO C[N@@H+]1CC[C@@H](Cc2nc(-c3n[nH]c(-c4cccc(Br)c4)n3)no2)C1 ZINC000904068632 663822334 /nfs/dbraw/zinc/82/23/34/663822334.db2.gz BWAIDHNTVJHBSS-JTQLQIEISA-N 1 0 389.257 2.778 20 0 GFADRO [NH3+]C[C@@]12CC[C@H]1CCN2C(=O)Nc1cc(Br)ccc1-n1cccn1 ZINC000904337059 663830714 /nfs/dbraw/zinc/83/07/14/663830714.db2.gz ZMWVNFAWNMEHJI-SJCJKPOMSA-N 1 0 390.285 2.980 20 0 GFADRO [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)Nc1cc(Br)ccc1-n1cccn1)C2 ZINC000904336090 663830761 /nfs/dbraw/zinc/83/07/61/663830761.db2.gz MUFSLOAMLBRSNF-UBHSHLNASA-N 1 0 390.285 2.978 20 0 GFADRO O=C(Nc1cc(Br)ccc1-n1cccn1)N1CCC[C@]12CC[NH2+]C2 ZINC000904335675 663830771 /nfs/dbraw/zinc/83/07/71/663830771.db2.gz IXQBCFCZNIJRST-QGZVFWFLSA-N 1 0 390.285 2.995 20 0 GFADRO COC[C@H]1C[NH2+]CCN1C(=O)Nc1cc(Br)c(F)cc1Cl ZINC000904368529 663831779 /nfs/dbraw/zinc/83/17/79/663831779.db2.gz SQJVALHTEDRIHN-MRVPVSSYSA-N 1 0 380.645 2.694 20 0 GFADRO O=C(Nc1ccc2nccnc2c1Br)N1CCC[C@]12CC[NH2+]C2 ZINC000904474515 663835660 /nfs/dbraw/zinc/83/56/60/663835660.db2.gz ZPINMVLVPIWPSV-MRXNPFEDSA-N 1 0 376.258 2.752 20 0 GFADRO COC[C@H]1C[NH2+]CCN1C(=O)Nc1cc(OC)c(Br)cc1Cl ZINC000904526884 663836681 /nfs/dbraw/zinc/83/66/81/663836681.db2.gz IUROEOZGFCCNFR-SECBINFHSA-N 1 0 392.681 2.563 20 0 GFADRO COCCOc1ccc(NC(=O)N[C@H]2CC[NH2+]C23CCC3)cc1Br ZINC000904547152 663837308 /nfs/dbraw/zinc/83/73/08/663837308.db2.gz CJCOXLCYZIDAHV-HNNXBMFYSA-N 1 0 398.301 2.880 20 0 GFADRO COCCOc1ccc(NC(=O)NCC[C@H]2CC[NH2+]C2)cc1Br ZINC000904550202 663837785 /nfs/dbraw/zinc/83/77/85/663837785.db2.gz CVRIHLMXFIUILP-GFCCVEGCSA-N 1 0 386.290 2.595 20 0 GFADRO COCCOc1ccc(NC(=O)N[C@@H]2CC[C@H](C[NH3+])C2)cc1Br ZINC000904550966 663837907 /nfs/dbraw/zinc/83/79/07/663837907.db2.gz INMSVNKXBUSPIB-NWDGAFQWSA-N 1 0 386.290 2.723 20 0 GFADRO COCCOc1ccc(NC(=O)N[C@@H]2C[NH2+]CC[C@H]2C)cc1Br ZINC000904552801 663838203 /nfs/dbraw/zinc/83/82/03/663838203.db2.gz YYHDCFXEHXZDKU-BXUZGUMPSA-N 1 0 386.290 2.594 20 0 GFADRO COc1ccc(Br)cc1-c1noc(C2([C@H](C)[NH3+])CCOCC2)n1 ZINC000904665191 663839705 /nfs/dbraw/zinc/83/97/05/663839705.db2.gz JZADJSVWAHSHEA-JTQLQIEISA-N 1 0 382.258 2.903 20 0 GFADRO C[C@@H]1C[C@H](c2nc(CNC(=O)c3ccc(Br)cc3)no2)CC[NH2+]1 ZINC000904713580 663842091 /nfs/dbraw/zinc/84/20/91/663842091.db2.gz NSWSZXPSUMDKMY-ZYHUDNBSSA-N 1 0 379.258 2.618 20 0 GFADRO CCN(CC)S(=O)(=O)c1ccc(C[NH2+]C[C@](O)(CC)C(F)(F)F)cc1 ZINC000905027577 663849895 /nfs/dbraw/zinc/84/98/95/663849895.db2.gz PTXDXYGGGQENRE-OAHLLOKOSA-N 1 0 382.448 2.510 20 0 GFADRO CNS(=O)(=O)c1cccc(C[NH2+]C[C@@H](O)c2ccc(Cl)c(Cl)c2)c1 ZINC000905034547 663850277 /nfs/dbraw/zinc/85/02/77/663850277.db2.gz KOWGFTVADHYSMB-MRXNPFEDSA-N 1 0 389.304 2.725 20 0 GFADRO C[NH+](C)CCCNC(=O)c1c(Cl)ccc(I)c1F ZINC000905049915 663850768 /nfs/dbraw/zinc/85/07/68/663850768.db2.gz GKFXSMVKODBANL-UHFFFAOYSA-N 1 0 384.620 2.765 20 0 GFADRO CN(CCc1ccccn1)C(=O)C[NH2+]C[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC000905089089 663852235 /nfs/dbraw/zinc/85/22/35/663852235.db2.gz MJSWVXYIDAZNQG-QGZVFWFLSA-N 1 0 382.291 2.713 20 0 GFADRO CSC[C@@H](C)[NH2+]C[C@H](O)c1ccc2c(c1)CN(C(=O)C(F)(F)F)CC2 ZINC000905128606 663854149 /nfs/dbraw/zinc/85/41/49/663854149.db2.gz SPHYIOPBPRBVNP-ABAIWWIYSA-N 1 0 376.444 2.508 20 0 GFADRO Cc1cc(Br)cn2cc(CC[NH2+]C[C@H](O)CCC3(O)CCC3)nc12 ZINC000905207722 663858446 /nfs/dbraw/zinc/85/84/46/663858446.db2.gz IKBVDGDVLUFQAQ-MRXNPFEDSA-N 1 0 396.329 2.593 20 0 GFADRO COCCOC1(C[NH2+]C[C@H](O)c2ccc(Cl)c(Cl)c2)CCOCC1 ZINC000905271286 663863346 /nfs/dbraw/zinc/86/33/46/663863346.db2.gz AAQPOILWXQMDGL-INIZCTEOSA-N 1 0 378.296 2.829 20 0 GFADRO CC(C)(C)OC(=O)NC[C@H](O)C[NH2+]C[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC000905349243 663867052 /nfs/dbraw/zinc/86/70/52/663867052.db2.gz HLBLDRHIIYSQSP-RISCZKNCSA-N 1 0 379.284 2.502 20 0 GFADRO C[C@@H](NS(=O)(=O)CC1CC[NH2+]CC1)c1cc(F)c(Br)cc1F ZINC000905363140 663867558 /nfs/dbraw/zinc/86/75/58/663867558.db2.gz ZPLHBSQHWGDIBM-SECBINFHSA-N 1 0 397.285 2.707 20 0 GFADRO O[C@@H](C[NH2+][C@H]1CCCCc2cc(Br)ccc21)C1(O)CCOCC1 ZINC000905382851 663868565 /nfs/dbraw/zinc/86/85/65/663868565.db2.gz RUECJXOUDWMGJJ-IRXDYDNUSA-N 1 0 384.314 2.709 20 0 GFADRO O[C@H](C[NH2+][C@@H]1CCCCc2cc(Br)ccc21)C[C@@]1(O)CCOC1 ZINC000905385138 663868921 /nfs/dbraw/zinc/86/89/21/663868921.db2.gz XFMAJBQEQFIPFO-JQHSSLGASA-N 1 0 384.314 2.709 20 0 GFADRO O=S(=O)(CC[NH2+]CCc1ccns1)c1cccc(Br)c1 ZINC000905417550 663870528 /nfs/dbraw/zinc/87/05/28/663870528.db2.gz NHLFVEZDFSARQW-UHFFFAOYSA-N 1 0 375.313 2.512 20 0 GFADRO CO[C@@]1(C[NH2+]C[C@@](C)(O)c2ccc(Br)cc2F)CCSC1 ZINC000905546130 663877750 /nfs/dbraw/zinc/87/77/50/663877750.db2.gz IIFVLBUYEMPXEF-HUUCEWRRSA-N 1 0 378.307 2.907 20 0 GFADRO CS(=O)(=O)c1ccccc1CC[NH2+]C[C@H](O)c1cccc(Br)c1 ZINC000905557410 663878295 /nfs/dbraw/zinc/87/82/95/663878295.db2.gz VSNFBYFBZNZSFB-INIZCTEOSA-N 1 0 398.322 2.718 20 0 GFADRO CC(C)O[C@]1(C[NH2+]C[C@@H](O)c2ccc(F)c(Br)c2)CCOC1 ZINC000905555130 663878318 /nfs/dbraw/zinc/87/83/18/663878318.db2.gz FIWUYYPXTIEYCJ-CVEARBPZSA-N 1 0 376.266 2.795 20 0 GFADRO O[C@H](C[NH2+]C[C@@H]1C=C[C@H]2C[C@@H]1CO2)COc1cc(F)cc(Br)c1 ZINC000905568405 663878927 /nfs/dbraw/zinc/87/89/27/663878927.db2.gz KNHLKZUBXPMRLL-OJDYBEQGSA-N 1 0 386.261 2.509 20 0 GFADRO C[NH+](C)CCCNC(=S)NNc1cccc(OC(F)F)c1Br ZINC000905597409 663880482 /nfs/dbraw/zinc/88/04/82/663880482.db2.gz VGFYKLNTYJDVBE-UHFFFAOYSA-N 1 0 397.289 2.793 20 0 GFADRO O[C@@H](C[NH2+]C[C@H]1CCN1C1CCOCC1)COc1cc(Cl)ccc1Cl ZINC000905621994 663882239 /nfs/dbraw/zinc/88/22/39/663882239.db2.gz FQAAZGCXGBXXHQ-CVEARBPZSA-N 1 0 389.323 2.576 20 0 GFADRO CO[C@]1(CNC(=S)NC2CC[NH+](Cc3ccccc3)CC2)CCSC1 ZINC000905646523 663883461 /nfs/dbraw/zinc/88/34/61/663883461.db2.gz GONPGZWCISJUPI-IBGZPJMESA-N 1 0 379.595 2.637 20 0 GFADRO Cn1cc([C@@]2(C[NH2+]C[C@@H](O)c3cccc(Br)c3)CCCO2)cn1 ZINC000905688043 663886359 /nfs/dbraw/zinc/88/63/59/663886359.db2.gz SKWFJCRGXPWQHP-SJORKVTESA-N 1 0 380.286 2.512 20 0 GFADRO Cc1ncccc1CC[NH2+]C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000905701285 663887643 /nfs/dbraw/zinc/88/76/43/663887643.db2.gz ZUTMJRUOPWLIBN-INIZCTEOSA-N 1 0 383.261 2.864 20 0 GFADRO COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@H](O)COc2ccc(Br)cc2)C1 ZINC000905709884 663888151 /nfs/dbraw/zinc/88/81/51/663888151.db2.gz POFCIPGRJZBEIA-SNPRPXQTSA-N 1 0 386.286 2.510 20 0 GFADRO OCC1(C[C@@H](O)C[NH2+]C[C@H](O)COc2cccc(Cl)c2Cl)CCCC1 ZINC000905918333 663900899 /nfs/dbraw/zinc/90/08/99/663900899.db2.gz GSSVATSNQIYIKB-KGLIPLIRSA-N 1 0 392.323 2.626 20 0 GFADRO CC[C@](O)(C[NH+]1CCC(C(=O)NCCc2cccs2)CC1)C(F)(F)F ZINC000905923008 663901310 /nfs/dbraw/zinc/90/13/10/663901310.db2.gz RWFZXHAUVVQSSL-INIZCTEOSA-N 1 0 378.460 2.822 20 0 GFADRO CC1CC[NH+](Cc2ccc(NS(=O)(=O)N=S3(=O)CCCC3)cc2)CC1 ZINC000906062159 663917400 /nfs/dbraw/zinc/91/74/00/663917400.db2.gz NNNXWXPVNTXPEO-UHFFFAOYSA-N 1 0 385.555 2.837 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(NS(=O)(=O)N=S2(=O)CCCC2)cc1 ZINC000906063152 663917716 /nfs/dbraw/zinc/91/77/16/663917716.db2.gz VZGQYPGYNYWJPX-OAHLLOKOSA-N 1 0 385.555 2.980 20 0 GFADRO CO[C@H](C(=O)N(C)CC1CC[NH+](C)CC1)c1ccc(Br)s1 ZINC000906569015 663958846 /nfs/dbraw/zinc/95/88/46/663958846.db2.gz JRDZYWHHOOMFSB-AWEZNQCLSA-N 1 0 375.332 2.998 20 0 GFADRO CC[N@@H+]1CCCC[C@H]1CNC(=O)c1cc(Br)cn(C2CC2)c1=O ZINC000906644427 663962604 /nfs/dbraw/zinc/96/26/04/663962604.db2.gz NTKXLXRWKIDUGG-AWEZNQCLSA-N 1 0 382.302 2.550 20 0 GFADRO CC(C)([NH3+])c1ccc(NC(=O)C(=O)NCc2sccc2Br)cc1 ZINC000906648292 663962917 /nfs/dbraw/zinc/96/29/17/663962917.db2.gz ITGVHYIHCWPTQE-UHFFFAOYSA-N 1 0 396.310 2.959 20 0 GFADRO C[C@@H](CC[NH+](C)C)NC(=O)c1ccc(Cn2cc(Br)cn2)s1 ZINC000906678317 663964671 /nfs/dbraw/zinc/96/46/71/663964671.db2.gz GVSAVUZQIVGAGN-NSHDSACASA-N 1 0 385.331 2.825 20 0 GFADRO Cc1ccc(-c2csc(NC(=O)C(=O)NC[C@@H]3CCCCC[NH2+]3)n2)s1 ZINC000906739682 663968093 /nfs/dbraw/zinc/96/80/93/663968093.db2.gz OPUSGIFBDRZSFS-LBPRGKRZSA-N 1 0 378.523 2.767 20 0 GFADRO C[C@H]1C[C@H](N(C)C(=O)c2cnnn2-c2ccccc2Br)CC[N@@H+]1C ZINC000906793777 663971441 /nfs/dbraw/zinc/97/14/41/663971441.db2.gz SFMBZFNJOCIHMD-QWHCGFSZSA-N 1 0 392.301 2.585 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(Br)cn(C3CC3)c2=O)[C@H](C)C1 ZINC000906793729 663971619 /nfs/dbraw/zinc/97/16/19/663971619.db2.gz REDJOYHTPQLMLX-MLGOLLRUSA-N 1 0 396.329 2.748 20 0 GFADRO Cc1c(C(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)nnn1-c1ccccc1Br ZINC000906797945 663971906 /nfs/dbraw/zinc/97/19/06/663971906.db2.gz MOVXDFBANOQIMN-WCQYABFASA-N 1 0 392.301 2.551 20 0 GFADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2cccn3ncc(Br)c23)C1 ZINC000906843838 663975975 /nfs/dbraw/zinc/97/59/75/663975975.db2.gz HDZVQOAONUBTBH-ZDUSSCGKSA-N 1 0 379.302 2.901 20 0 GFADRO CC[N@H+](C)C[C@H]1CCN(C(=O)[C@H](OC)c2ccc(Br)s2)C1 ZINC000906848347 663976346 /nfs/dbraw/zinc/97/63/46/663976346.db2.gz WLPFMIUUAJNKNQ-BXUZGUMPSA-N 1 0 375.332 2.998 20 0 GFADRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)c2cc(Br)cn(C3CC3)c2=O)C1 ZINC000906967283 663987163 /nfs/dbraw/zinc/98/71/63/663987163.db2.gz QYMOXKXFIHWGSE-ZDUSSCGKSA-N 1 0 396.329 2.653 20 0 GFADRO O=S(=O)(Cc1cc(Cl)ccc1F)NC1CC[NH+](C2CCOCC2)CC1 ZINC000907329936 664024220 /nfs/dbraw/zinc/02/42/20/664024220.db2.gz ZYZZAPITGFWHNS-UHFFFAOYSA-N 1 0 390.908 2.542 20 0 GFADRO Cc1ccc(C[N@H+]2CC[C@H](CN(C)S(=O)(=O)c3ccc(N)cc3)C2)s1 ZINC000907347598 664026880 /nfs/dbraw/zinc/02/68/80/664026880.db2.gz TXRIKIGMUCWFLN-OAHLLOKOSA-N 1 0 379.551 2.781 20 0 GFADRO O=C(N1CCC(Oc2cccc(Br)c2)CC1)C12CC[NH+](CC1)C2 ZINC000907372081 664030019 /nfs/dbraw/zinc/03/00/19/664030019.db2.gz POHVRUBXWSOZHX-UHFFFAOYSA-N 1 0 379.298 2.915 20 0 GFADRO COC(=O)c1cc(S(=O)(=O)N(C)CCCC[NH+]2CCCCC2)oc1Cl ZINC000907395303 664031034 /nfs/dbraw/zinc/03/10/34/664031034.db2.gz PLCVCSDNKAFOPB-UHFFFAOYSA-N 1 0 392.905 2.606 20 0 GFADRO CC(C)[N@@H+]1CCC[C@@H](NC(=O)C(F)(F)c2ncccc2Br)C1 ZINC000907432676 664034242 /nfs/dbraw/zinc/03/42/42/664034242.db2.gz OXYVUBVTKASVLX-LLVKDONJSA-N 1 0 376.245 2.925 20 0 GFADRO CC(C)[N@@H+]1CCC[C@H](NC(=O)C(F)(F)c2ncccc2Br)C1 ZINC000907432677 664034336 /nfs/dbraw/zinc/03/43/36/664034336.db2.gz OXYVUBVTKASVLX-NSHDSACASA-N 1 0 376.245 2.925 20 0 GFADRO CC(C)[NH+]1CCN(CCCC(=O)N[C@H](C)c2ccc(Br)cn2)CC1 ZINC000907893787 664069320 /nfs/dbraw/zinc/06/93/20/664069320.db2.gz KKFXGNLPXAJGSI-OAHLLOKOSA-N 1 0 397.361 2.828 20 0 GFADRO CC(C)n1cc(Br)c(C(=O)N2CCC[C@H]([NH+]3CCOCC3)CC2)n1 ZINC000907992935 664075937 /nfs/dbraw/zinc/07/59/37/664075937.db2.gz XWBUIGKHEAUVJV-AWEZNQCLSA-N 1 0 399.333 2.553 20 0 GFADRO C/C=C\[C@@H](O)C(=O)N(Cc1ccccc1Br)C1CC[NH+](C)CC1 ZINC000908262205 664095875 /nfs/dbraw/zinc/09/58/75/664095875.db2.gz SSEDJIGFAMGRPA-GPCFVJJQSA-N 1 0 381.314 2.809 20 0 GFADRO CC(C)[NH+]1CCN(CCCC(=O)N[C@@H](c2nccs2)C(F)(F)F)CC1 ZINC000908427666 664105667 /nfs/dbraw/zinc/10/56/67/664105667.db2.gz LZKGHXZCJAEVFO-AWEZNQCLSA-N 1 0 378.464 2.669 20 0 GFADRO Cc1csc(C(=O)N2CCC(CO)([NH2+]C(C)C)CC2)c1Br ZINC000908600672 664116681 /nfs/dbraw/zinc/11/66/81/664116681.db2.gz NOQQWZXMLLGUPA-UHFFFAOYSA-N 1 0 375.332 2.784 20 0 GFADRO O=C(Nc1cccc(O)c1Br)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000908712230 664122967 /nfs/dbraw/zinc/12/29/67/664122967.db2.gz GEUPAVVCYSYYRR-SFHVURJKSA-N 1 0 391.265 2.730 20 0 GFADRO CC[NH+]1CCN(CC(=O)N[C@@H](C)c2nc3cc(Cl)c(Cl)cc3[nH]2)CC1 ZINC000908862541 664131606 /nfs/dbraw/zinc/13/16/06/664131606.db2.gz OFTSESGVCKTEIM-NSHDSACASA-N 1 0 384.311 2.684 20 0 GFADRO CC[C@H](C)[NH+]1CCN(C(=O)c2cc(Br)cn(C3CC3)c2=O)CC1 ZINC000909261111 664150522 /nfs/dbraw/zinc/15/05/22/664150522.db2.gz GWOUPOPAMWNBCN-LBPRGKRZSA-N 1 0 382.302 2.502 20 0 GFADRO C[C@@H](NC(=O)C(=O)NC[C@]12CCC[C@H]1[NH2+]CC2)c1cccc(Cl)c1Cl ZINC000911127744 664235874 /nfs/dbraw/zinc/23/58/74/664235874.db2.gz YIMFVZWAGVSWEL-YRILPIOLSA-N 1 0 384.307 2.819 20 0 GFADRO [NH3+][C@@H]1CC[C@H](CNC(=O)C(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000911487567 664246537 /nfs/dbraw/zinc/24/65/37/664246537.db2.gz VLGDQOBAGSQVGF-GHJWDPDVSA-N 1 0 384.307 2.901 20 0 GFADRO C[C@@H]1CCCN(C(=O)c2ccc(Cn3cc(Br)cn3)s2)[C@H]1C[NH3+] ZINC000911828244 664257690 /nfs/dbraw/zinc/25/76/90/664257690.db2.gz YYBLDPLRSMXDGY-RISCZKNCSA-N 1 0 397.342 2.955 20 0 GFADRO CC(C)[C@](C)(C[NH3+])NC(=O)c1ccc(Cn2cc(Br)cn2)s1 ZINC000911832994 664257735 /nfs/dbraw/zinc/25/77/35/664257735.db2.gz QVCUNJKQUFQKJJ-HNNXBMFYSA-N 1 0 385.331 2.859 20 0 GFADRO CC[C@@H](C(=O)N(CCO)C1CC[NH+](C)CC1)c1ccc(Br)cc1 ZINC000911932526 664262401 /nfs/dbraw/zinc/26/24/01/664262401.db2.gz RBZJMOLDEUTTFV-QGZVFWFLSA-N 1 0 383.330 2.858 20 0 GFADRO C[C@H](Oc1cc(Cl)cc(Cl)c1)C(=O)N(CCO)C1CC[NH+](C)CC1 ZINC000911937684 664262916 /nfs/dbraw/zinc/26/29/16/664262916.db2.gz ZZJWBEULWZAUTP-LBPRGKRZSA-N 1 0 375.296 2.676 20 0 GFADRO C[C@H]1[NH2+]CCn2c(C(=O)NCC(=O)Nc3cc(Cl)ccc3Cl)ccc21 ZINC000912029320 664267100 /nfs/dbraw/zinc/26/71/00/664267100.db2.gz MKIWJQZYEMCSDF-SNVBAGLBSA-N 1 0 381.263 2.828 20 0 GFADRO C[N@@H+]1CCN(C(=O)c2cc(Br)cn(C3CC3)c2=O)C[C@@H]1C(C)(C)C ZINC000912027612 664267167 /nfs/dbraw/zinc/26/71/67/664267167.db2.gz SDXNEEYPIXQOAI-OAHLLOKOSA-N 1 0 396.329 2.748 20 0 GFADRO CCN(C(=O)c1ccc(Cn2cc(Br)cn2)s1)[C@H]1CC[N@H+](C)C1 ZINC000912307031 664281668 /nfs/dbraw/zinc/28/16/68/664281668.db2.gz NLXNKYNHHGHDMX-ZDUSSCGKSA-N 1 0 397.342 2.922 20 0 GFADRO O=C(Nc1ccc(Br)c2ncccc12)C1C[NH+]([C@H]2CCOC2)C1 ZINC000912513194 664291477 /nfs/dbraw/zinc/29/14/77/664291477.db2.gz OQZSPVRQLPPRRD-LBPRGKRZSA-N 1 0 376.254 2.657 20 0 GFADRO CC(C)C[NH2+]C1(CO)CCN(C(=O)[C@@H](O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000912587728 664293917 /nfs/dbraw/zinc/29/39/17/664293917.db2.gz XGBRSBANDMPKKV-INIZCTEOSA-N 1 0 389.323 2.626 20 0 GFADRO COc1cc(Br)ccc1C(=O)N1CCC(CO)([NH2+]CC(C)C)CC1 ZINC000912591043 664294166 /nfs/dbraw/zinc/29/41/66/664294166.db2.gz KCIHMAZNYZIDPN-UHFFFAOYSA-N 1 0 399.329 2.670 20 0 GFADRO COc1ccc(C(=O)N2CCC(CO)([NH2+]CC(C)C)CC2)cc1Br ZINC000912594768 664294389 /nfs/dbraw/zinc/29/43/89/664294389.db2.gz JCQNVLRUKQJGFC-UHFFFAOYSA-N 1 0 399.329 2.670 20 0 GFADRO C[C@@]1(C(=O)N2CCC([NH+]3CCC3)CC2)CC1(Br)Br ZINC000912871307 664306791 /nfs/dbraw/zinc/30/67/91/664306791.db2.gz QWHQAHGIQDHKCO-LBPRGKRZSA-N 1 0 380.124 2.579 20 0 GFADRO Cc1ccc(I)cc1C(=O)N1CCC([NH+]2CCC2)CC1 ZINC000912877269 664306993 /nfs/dbraw/zinc/30/69/93/664306993.db2.gz XOKAAHAZSOIOSW-UHFFFAOYSA-N 1 0 384.261 2.910 20 0 GFADRO O=C(CCCS(=O)(=O)c1ccc(Cl)cc1)N1CCC([NH+]2CCC2)CC1 ZINC000912874142 664307037 /nfs/dbraw/zinc/30/70/37/664307037.db2.gz ZBFLVOUYFKKRCA-UHFFFAOYSA-N 1 0 384.929 2.591 20 0 GFADRO O=C(Nc1n[nH]cc1I)c1cccc(C[NH+]2CCCC2)c1 ZINC000912889172 664308776 /nfs/dbraw/zinc/30/87/76/664308776.db2.gz WLEPQNJSUBOJFO-UHFFFAOYSA-N 1 0 396.232 2.862 20 0 GFADRO O=C(c1cn(-c2ccc(Br)cc2)cn1)N1CC[C@H]([NH+]2CCC2)C1 ZINC000912914121 664309703 /nfs/dbraw/zinc/30/97/03/664309703.db2.gz VZFUXGICGVKVFD-HNNXBMFYSA-N 1 0 375.270 2.555 20 0 GFADRO O=C(c1cc(=O)[nH]c2ccc(Br)cc21)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000912916779 664309969 /nfs/dbraw/zinc/30/99/69/664309969.db2.gz SFPMHSUZQZBHMF-GFCCVEGCSA-N 1 0 376.254 2.623 20 0 GFADRO O=C([C@H]1CCN(c2cc(Cl)ccc2Cl)C1=O)N1CC[C@H]([NH+]2CCC2)C1 ZINC000912918449 664310126 /nfs/dbraw/zinc/31/01/26/664310126.db2.gz FDAKZISGLKZWRE-UONOGXRCSA-N 1 0 382.291 2.653 20 0 GFADRO CC(C)n1cc(Br)c(C(=O)N2CCC(C)([NH+]3CCOCC3)CC2)n1 ZINC000913151725 664326487 /nfs/dbraw/zinc/32/64/87/664326487.db2.gz FFONUANZIAVHLO-UHFFFAOYSA-N 1 0 399.333 2.553 20 0 GFADRO C[C@@H]1C[C@H](c2ccc(Br)cc2)CN1C(=O)[C@]1(C)C[C@@H](O)C[N@@H+]1C ZINC000913173327 664327732 /nfs/dbraw/zinc/32/77/32/664327732.db2.gz AAQAPCGSBFMHMV-YUFPNPJJSA-N 1 0 381.314 2.609 20 0 GFADRO C[NH+]1C[C@]2(C)CN(C(=O)Cc3noc4ccc(Br)cc43)C[C@@]2(C)C1 ZINC000913273385 664330635 /nfs/dbraw/zinc/33/06/35/664330635.db2.gz FDTPXBMOZZBYKK-QZTJIDSGSA-N 1 0 392.297 2.933 20 0 GFADRO Cn1nc2cc(Br)ccc2c1C(=O)N1CCC(C)([NH+](C)C)CC1 ZINC000913390125 664334740 /nfs/dbraw/zinc/33/47/40/664334740.db2.gz QZAGQUSYOAFGML-UHFFFAOYSA-N 1 0 379.302 2.892 20 0 GFADRO C[NH+](C)C1(C)CCN(C(=O)c2ccc(S(=O)(=O)C(F)(F)F)cc2)CC1 ZINC000913399825 664334934 /nfs/dbraw/zinc/33/49/34/664334934.db2.gz KNYXACWOMGJRBK-UHFFFAOYSA-N 1 0 378.416 2.536 20 0 GFADRO C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CNC(=O)c1sc2ccccc2c1Cl ZINC000913538993 664343096 /nfs/dbraw/zinc/34/30/96/664343096.db2.gz ZAURFYXFMOEZCP-TXEJJXNPSA-N 1 0 377.897 2.590 20 0 GFADRO O=C(NC12CC[NH+](CC1)C2)[C@@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl ZINC000913627285 664346721 /nfs/dbraw/zinc/34/67/21/664346721.db2.gz DNEUZOSQHMKCNF-HNNXBMFYSA-N 1 0 382.291 2.562 20 0 GFADRO Cc1sc(Br)c(C(=O)N2CCC(O)(C[NH+](C)C)CC2)c1C ZINC000913676752 664348895 /nfs/dbraw/zinc/34/88/95/664348895.db2.gz JXUBBOLYCSPEQK-UHFFFAOYSA-N 1 0 375.332 2.656 20 0 GFADRO C[NH+](C)CC1(O)CCN(C(=O)c2cc(F)c(Br)cc2Cl)CC1 ZINC000913677992 664349317 /nfs/dbraw/zinc/34/93/17/664349317.db2.gz NFZRDAOVRWFIQD-UHFFFAOYSA-N 1 0 393.684 2.770 20 0 GFADRO Cc1cc(C)c(CC(=O)N2CCC(O)(C[NH+](C)C)CC2)c(C)c1Br ZINC000913683323 664350003 /nfs/dbraw/zinc/35/00/03/664350003.db2.gz YCPQOPWGYYSNIZ-UHFFFAOYSA-N 1 0 397.357 2.832 20 0 GFADRO C[NH+](C)CC1(O)CCN(C(=O)c2cc(Br)ccc2Cl)CC1 ZINC000913683043 664350044 /nfs/dbraw/zinc/35/00/44/664350044.db2.gz JYZHLTPOLMPAMJ-UHFFFAOYSA-N 1 0 375.694 2.631 20 0 GFADRO CC1CC[NH+](CCCCNC(=O)NCc2cnc(Br)cn2)CC1 ZINC000914097410 664376463 /nfs/dbraw/zinc/37/64/63/664376463.db2.gz WBSVDQZNPXIMAP-UHFFFAOYSA-N 1 0 384.322 2.550 20 0 GFADRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)S(=O)(=O)Cc1ccsc1Br ZINC000914178394 664383373 /nfs/dbraw/zinc/38/33/73/664383373.db2.gz KQZOXVKBFLBZAM-JQWIXIFHSA-N 1 0 381.361 2.612 20 0 GFADRO CC[NH+](CC)CC1CCN(S(=O)(=O)c2occc2Br)CC1 ZINC000914179778 664383654 /nfs/dbraw/zinc/38/36/54/664383654.db2.gz VCEXIQDQSGZESJ-UHFFFAOYSA-N 1 0 379.320 2.785 20 0 GFADRO COc1ccc(Br)c(S(=O)(=O)N(C)CCCC[NH+](C)C)c1F ZINC000914225060 664387652 /nfs/dbraw/zinc/38/76/52/664387652.db2.gz AOMHDJNEIPDOHL-UHFFFAOYSA-N 1 0 397.310 2.559 20 0 GFADRO C[C@@H]1CCC[C@@](CNC(=O)NCc2cnc(Br)cn2)([NH+](C)C)C1 ZINC000914313903 664398090 /nfs/dbraw/zinc/39/80/90/664398090.db2.gz IIQZDGMVMJEHCG-MLGOLLRUSA-N 1 0 384.322 2.549 20 0 GFADRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N(C)Cc2ncc(Br)cn2)C1 ZINC000914335001 664400547 /nfs/dbraw/zinc/40/05/47/664400547.db2.gz ILBMNQQTLOAIRX-CYBMUJFWSA-N 1 0 398.349 2.891 20 0 GFADRO CN1CC[N@H+](CCCNC(=O)CSC(F)(F)F)[C@@H](c2ccccc2)C1 ZINC000915068587 664420524 /nfs/dbraw/zinc/42/05/24/664420524.db2.gz UJXLTKXDMJTPGI-OAHLLOKOSA-N 1 0 375.460 2.734 20 0 GFADRO O=S(=O)(/C=C\c1ccc(Cl)cc1)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000915354546 664428840 /nfs/dbraw/zinc/42/88/40/664428840.db2.gz IJDYQBDWSHHFCQ-DVNIYVAHSA-N 1 0 384.929 2.827 20 0 GFADRO CCC(CC)[C@H](CNS(=O)(=O)c1cc(C(=O)OC)ccc1Cl)[NH+](C)C ZINC000915354643 664428907 /nfs/dbraw/zinc/42/89/07/664428907.db2.gz QXTBOGAMOBASAI-HNNXBMFYSA-N 1 0 390.933 2.771 20 0 GFADRO CCC(CC)[C@@H](CNS(=O)(=O)c1cc(C(=O)OC)ccc1Cl)[NH+](C)C ZINC000915354644 664428913 /nfs/dbraw/zinc/42/89/13/664428913.db2.gz QXTBOGAMOBASAI-OAHLLOKOSA-N 1 0 390.933 2.771 20 0 GFADRO CC[C@H](CO)[NH2+][C@@H](C)C(=O)Nc1ccc(Br)cc1Br ZINC000915875546 664443515 /nfs/dbraw/zinc/44/35/15/664443515.db2.gz QDCHQYDFPCHBQP-WCBMZHEXSA-N 1 0 394.107 2.899 20 0 GFADRO CC[N@H+](CCNC(=O)N1CCCC[C@H]1c1ncc(Br)cn1)C1CC1 ZINC000916116644 664450713 /nfs/dbraw/zinc/45/07/13/664450713.db2.gz AYCIMWWBXDIIHN-HNNXBMFYSA-N 1 0 396.333 2.960 20 0 GFADRO COc1cc(C[NH2+]C[C@@H](O)c2cccc(Br)c2)ccc1OCCO ZINC000917015458 664475237 /nfs/dbraw/zinc/47/52/37/664475237.db2.gz UBBAQKPTYSSIGD-MRXNPFEDSA-N 1 0 396.281 2.652 20 0 GFADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)N1CCC[C@@]1(C)Cc1cc(Cl)cs1 ZINC000917972788 664493801 /nfs/dbraw/zinc/49/38/01/664493801.db2.gz RHTYAKYRVRAPOG-YJBOKZPZSA-N 1 0 384.977 2.754 20 0 GFADRO Cc1ccc(/C=C/C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)c(Br)c1 ZINC000918698990 664502949 /nfs/dbraw/zinc/50/29/49/664502949.db2.gz LTRFPAGXULVPHY-FYCOFBDGSA-N 1 0 394.357 2.770 20 0 GFADRO Nc1cc[nH+]c2c1CN(S(=O)(=O)c1ccc(F)cc1C(F)(F)F)CC2 ZINC000918900312 664506324 /nfs/dbraw/zinc/50/63/24/664506324.db2.gz PUFAXJWHYXSWFO-UHFFFAOYSA-N 1 0 375.347 2.569 20 0 GFADRO O=C(NCCc1ccc(Br)cc1)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000919191214 664509130 /nfs/dbraw/zinc/50/91/30/664509130.db2.gz DBELSCBDLUKMFN-QGZVFWFLSA-N 1 0 396.329 2.544 20 0 GFADRO Cn1cc(CNC(=O)NCCCCC[NH+]2CCCCC2)c(Br)n1 ZINC000919650826 664516107 /nfs/dbraw/zinc/51/61/07/664516107.db2.gz DEJNILIBUCIGSE-UHFFFAOYSA-N 1 0 386.338 2.638 20 0 GFADRO CN(Cc1cscc1Br)S(=O)(=O)C[C@@]12CC[N@H+](C1)CCC2 ZINC000919752633 664517427 /nfs/dbraw/zinc/51/74/27/664517427.db2.gz RQOCQZRIQTUUPQ-AWEZNQCLSA-N 1 0 393.372 2.758 20 0 GFADRO CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NS(=O)(=O)c3c(C)csc3C)C2)[C@@H]1C(C)C ZINC000920308931 664524813 /nfs/dbraw/zinc/52/48/13/664524813.db2.gz GFWJETUEMJHNKD-XYVMCAHJSA-N 1 0 386.583 2.513 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)N2CCC[C@@H]2c2ncc(Br)cn2)CC[N@@H+]1C ZINC000920406034 664525898 /nfs/dbraw/zinc/52/58/98/664525898.db2.gz XBOQIWQBPFLYAV-KWCYVHTRSA-N 1 0 382.306 2.568 20 0 GFADRO COCC[N@@H+]1CCCN(C(=O)CCSc2nc3ccccc3s2)CC1 ZINC000920743886 664530324 /nfs/dbraw/zinc/53/03/24/664530324.db2.gz IWVGTFSYXGWNOF-UHFFFAOYSA-N 1 0 379.551 2.959 20 0 GFADRO CN(Cc1ncc(Br)cn1)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000921323376 664541612 /nfs/dbraw/zinc/54/16/12/664541612.db2.gz GXDPPAKRXHSUBY-UHFFFAOYSA-N 1 0 396.333 2.788 20 0 GFADRO C[C@H]1C[C@H](NC(=O)NC2(c3ncc(Br)cn3)CCC2)C[N@@H+]1C1CC1 ZINC000921384752 664545195 /nfs/dbraw/zinc/54/51/95/664545195.db2.gz WTFSGOCVAQKFCC-AAEUAGOBSA-N 1 0 394.317 2.543 20 0 GFADRO CC[N@H+]1C[C@H](NC(=O)N2CCCC[C@H]2c2ncc(Br)cn2)[C@@H](C)C1 ZINC000921406071 664547402 /nfs/dbraw/zinc/54/74/02/664547402.db2.gz BYDFNEMJAHIIHV-QEJZJMRPSA-N 1 0 396.333 2.816 20 0 GFADRO Clc1ccc([C@H](C[NH2+]Cc2nc(Br)c[nH]2)N2CCOCC2)cc1 ZINC000921618368 664558006 /nfs/dbraw/zinc/55/80/06/664558006.db2.gz IDKCCNAPBUIWEP-AWEZNQCLSA-N 1 0 399.720 2.989 20 0 GFADRO CCn1c(C[NH2+][C@@H]2CCCC[C@H]2O)nc(Br)c1Br ZINC000922013479 664581203 /nfs/dbraw/zinc/58/12/03/664581203.db2.gz ADNIBVHWDUFHHC-RKDXNWHRSA-N 1 0 381.112 2.821 20 0 GFADRO CCn1c(C[NH2+][C@H]2CCOC[C@@H]2C)nc(Br)c1Br ZINC000922064454 664583521 /nfs/dbraw/zinc/58/35/21/664583521.db2.gz PEGNPCXECTZFTN-IUCAKERBSA-N 1 0 381.112 2.943 20 0 GFADRO Cc1ccc(Br)cc1CNC(=O)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000922122351 664586830 /nfs/dbraw/zinc/58/68/30/664586830.db2.gz ZJSJDNQLXSFSBO-KRWDZBQOSA-N 1 0 396.329 2.810 20 0 GFADRO CCn1c(CNC(=O)NCC2([NH+](C)C)CC2)nc2cc(Br)ccc21 ZINC000922180840 664589083 /nfs/dbraw/zinc/58/90/83/664589083.db2.gz HWAIYXPNYAYOAI-UHFFFAOYSA-N 1 0 394.317 2.712 20 0 GFADRO Cn1nccc1[C@@H]1[C@@H]([NH2+]Cc2ccc(F)cc2Br)CCC(=O)N1C ZINC000922405569 664600104 /nfs/dbraw/zinc/60/01/04/664600104.db2.gz UCPZGZVUKLDGED-YOEHRIQHSA-N 1 0 395.276 2.773 20 0 GFADRO Cc1nn2c(C[NH2+]CC3CCC(S(C)(=O)=O)CC3)c(C(C)C)nc2s1 ZINC000922417341 664600759 /nfs/dbraw/zinc/60/07/59/664600759.db2.gz BOSYYHYILIYNJZ-UHFFFAOYSA-N 1 0 384.571 2.916 20 0 GFADRO CN1C[C@@H](CC[NH2+]Cc2c(F)ccc(I)c2F)CC1=O ZINC000922486253 664603509 /nfs/dbraw/zinc/60/35/09/664603509.db2.gz HNMNBIVJNNISPJ-VIFPVBQESA-N 1 0 394.203 2.527 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+][C@@H]1CCO[C@H]1C1CC1 ZINC000922516887 664605427 /nfs/dbraw/zinc/60/54/27/664605427.db2.gz AUZXRGZEJUFBER-CXMBCZLWSA-N 1 0 397.313 2.620 20 0 GFADRO OC[C@@H](CCc1ccccc1)[NH2+]Cc1ncc(I)s1 ZINC000922545502 664606385 /nfs/dbraw/zinc/60/63/85/664606385.db2.gz ANUGHZROKCTATI-GFCCVEGCSA-N 1 0 388.274 2.831 20 0 GFADRO FC(F)Oc1ccc(C[NH2+]C[C@H]2C[C@@H]3COC[C@@H]3O2)cc1Br ZINC000922724397 664612044 /nfs/dbraw/zinc/61/20/44/664612044.db2.gz BRKILUVFLJEWNR-GYSYKLTISA-N 1 0 378.213 2.944 20 0 GFADRO COc1nsc(C[NH2+]C[C@@H]2CCC3(CCOCC3)O2)c1Br ZINC000922807087 664615050 /nfs/dbraw/zinc/61/50/50/664615050.db2.gz AEXJHTKHYCUYAE-JTQLQIEISA-N 1 0 377.304 2.732 20 0 GFADRO CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]C[C@@H]1CCC2(CCOCC2)O1 ZINC000922809131 664615338 /nfs/dbraw/zinc/61/53/38/664615338.db2.gz ZBVAJTDHGADWQI-HNNXBMFYSA-N 1 0 387.929 2.951 20 0 GFADRO Cc1cc(Br)cn2c(C[NH2+]C3C[C@H]4CC[C@@H](C3)S4(=O)=O)cnc12 ZINC000922848921 664616331 /nfs/dbraw/zinc/61/63/31/664616331.db2.gz NKOBRWSJTCGGFC-LQDVMPOASA-N 1 0 398.326 2.603 20 0 GFADRO O=C(Cc1ccc(Br)s1)N1CCC([NH2+]C2CCOCC2)CC1 ZINC000922868384 664617032 /nfs/dbraw/zinc/61/70/32/664617032.db2.gz PNNNSQJMMJGDPI-UHFFFAOYSA-N 1 0 387.343 2.813 20 0 GFADRO Cn1nnc2c1C[C@@H]([NH2+]Cc1c[nH]nc1-c1ccc(Br)s1)CC2 ZINC000922991544 664620475 /nfs/dbraw/zinc/62/04/75/664620475.db2.gz IUAAYTATCLOHJZ-JTQLQIEISA-N 1 0 393.314 2.676 20 0 GFADRO Cn1nnc2c1C[C@H]([NH2+]CC1=Cc3cc(Br)ccc3OC1)CC2 ZINC000922993521 664620655 /nfs/dbraw/zinc/62/06/55/664620655.db2.gz LKJRCVCLMTZMKB-CQSZACIVSA-N 1 0 375.270 2.501 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)NC2(c3ncc(Br)cn3)CCC2)C1 ZINC000923192076 664624028 /nfs/dbraw/zinc/62/40/28/664624028.db2.gz IEIQPQRVLCQJNA-ZDUSSCGKSA-N 1 0 396.333 2.790 20 0 GFADRO C[NH+](C)CCc1ccc(C(=O)NCC(=O)c2ccc(Br)cn2)cc1 ZINC000923256870 664626658 /nfs/dbraw/zinc/62/66/58/664626658.db2.gz NDFKYSGVOSOWDP-UHFFFAOYSA-N 1 0 390.281 2.561 20 0 GFADRO Fc1cc([C@H]2CN(C[C@@H]3CC4(C[NH2+]C4)CO3)CCO2)c(Cl)cc1Cl ZINC000923311797 664627997 /nfs/dbraw/zinc/62/79/97/664627997.db2.gz XCCWKHDLMINXSP-MEDUHNTESA-N 1 0 375.271 2.884 20 0 GFADRO Clc1cccnc1CN1CC[NH2+]CCN(Cc2ncccc2Cl)CC1 ZINC000923394095 664629519 /nfs/dbraw/zinc/62/95/19/664629519.db2.gz DFVHLUGTBIOFFY-UHFFFAOYSA-N 1 0 380.323 2.691 20 0 GFADRO C[C@@H]1C[NH2+][C@@H](C)[C@H](C)N1CC(=O)Nc1c(F)cc(F)cc1Br ZINC000923446202 664630701 /nfs/dbraw/zinc/63/07/01/664630701.db2.gz XNUPFQXAPSZLGX-UTLUCORTSA-N 1 0 376.245 2.737 20 0 GFADRO [NH3+][C@]1(CO)CCCN(Cc2csc(-c3cccc(Br)c3)n2)C1 ZINC000923478951 664631123 /nfs/dbraw/zinc/63/11/23/664631123.db2.gz UREZTDKHNOOSIE-MRXNPFEDSA-N 1 0 382.327 2.858 20 0 GFADRO O=C(NCc1ccsc1C(F)(F)F)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000923503411 664631481 /nfs/dbraw/zinc/63/14/81/664631481.db2.gz KVXQPEHBRVDSIB-CYBMUJFWSA-N 1 0 377.432 2.819 20 0 GFADRO [NH3+]CC[C@H]1Cc2ccccc2N(S(=O)(=O)c2onc(C3CC3)c2Cl)C1 ZINC000923744464 664637520 /nfs/dbraw/zinc/63/75/20/664637520.db2.gz HSIQRMPVXGDUFF-NSHDSACASA-N 1 0 381.885 2.922 20 0 GFADRO Ic1cccc(-c2noc([C@H]3C[N@@H+]4CCC[C@@H]4CO3)n2)c1 ZINC000923809437 664638286 /nfs/dbraw/zinc/63/82/86/664638286.db2.gz WYBMIKFQWUJVCU-CHWSQXEVSA-N 1 0 397.216 2.877 20 0 GFADRO O=C(CC[NH2+][C@H]1CCOC12CCOCC2)Nc1ccc(Br)cc1 ZINC000924889879 664663609 /nfs/dbraw/zinc/66/36/09/664663609.db2.gz NNQYMMZHBLYVMA-HNNXBMFYSA-N 1 0 383.286 2.705 20 0 GFADRO C[C@@H]([NH2+]CCOc1ccc(S(C)(=O)=O)cc1)c1cccc(Br)n1 ZINC000924986170 664664810 /nfs/dbraw/zinc/66/48/10/664664810.db2.gz LAKVUVIKECFCGW-GFCCVEGCSA-N 1 0 399.310 2.977 20 0 GFADRO COc1ccc(Br)c(C(=O)NCCC[NH2+][C@@H](C)c2nonc2C)c1 ZINC000925014577 664665196 /nfs/dbraw/zinc/66/51/96/664665196.db2.gz HDEPRIOTRLUJFR-JTQLQIEISA-N 1 0 397.273 2.620 20 0 GFADRO C[C@H]([NH2+]CCC(=O)N(C)Cc1ccccc1Br)c1ccnnc1 ZINC000925029358 664665392 /nfs/dbraw/zinc/66/53/92/664665392.db2.gz QYFJHQDKLCBYRF-ZDUSSCGKSA-N 1 0 377.286 2.938 20 0 GFADRO CSC[C@@H]1NC(=O)N([C@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)C1=O ZINC000925022266 664665441 /nfs/dbraw/zinc/66/54/41/664665441.db2.gz FJVHGVIGNQQCEY-QWHCGFSZSA-N 1 0 376.309 2.880 20 0 GFADRO CN1CC[N@H+](C)C[C@H]1CN[C@@H](c1ccc(Br)cc1)c1cccnc1 ZINC000925029961 664665496 /nfs/dbraw/zinc/66/54/96/664665496.db2.gz GNQIFXLHDYBXBX-MOPGFXCFSA-N 1 0 389.341 2.769 20 0 GFADRO C[C@@H]([NH2+]CC1CCN(S(=O)(=O)C(F)(F)F)CC1)c1cc(O)cc(F)c1 ZINC000925036192 664665820 /nfs/dbraw/zinc/66/58/20/664665820.db2.gz AZGMUMXUFKFJMG-SNVBAGLBSA-N 1 0 384.395 2.744 20 0 GFADRO O=S(=O)(N1CCC(C[NH2+][C@@H]2CCc3c2nccc3Cl)CC1)C(F)(F)F ZINC000925039797 664665823 /nfs/dbraw/zinc/66/58/23/664665823.db2.gz IAJJWCUFMOFXSP-CYBMUJFWSA-N 1 0 397.850 2.874 20 0 GFADRO C[C@@H]([NH2+][C@@H]1CCN(CCN2CCOCC2)C1)c1csc(C(F)(F)F)c1 ZINC000925078262 664666377 /nfs/dbraw/zinc/66/63/77/664666377.db2.gz GRPXVKLOBDBTRN-UKRRQHHQSA-N 1 0 377.476 2.824 20 0 GFADRO CN(Cc1ccc(Br)o1)C(=O)N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000925144825 664667272 /nfs/dbraw/zinc/66/72/72/664667272.db2.gz QRZYPYRXWLVUHY-QWHCGFSZSA-N 1 0 388.331 2.763 20 0 GFADRO O=C(N[C@@H]1CCC[N@@H+]2CCSC[C@H]12)N1C[C@@H]2CCC[C@]2(C(F)(F)F)C1 ZINC000925170937 664667822 /nfs/dbraw/zinc/66/78/22/664667822.db2.gz OMGWEYKIZWYHCR-NHIYQJMISA-N 1 0 377.476 2.940 20 0 GFADRO CN(C[C@@H]1OCCc2sccc21)C(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000925169859 664667911 /nfs/dbraw/zinc/66/79/11/664667911.db2.gz LQPIPTPCUCWHMU-PMPSAXMXSA-N 1 0 381.567 2.583 20 0 GFADRO C[C@@H](c1cccc(Br)c1)N1CC(=O)N(C[C@@H]2CCC[N@@H+]2C)C1=O ZINC000925288793 664669941 /nfs/dbraw/zinc/66/99/41/664669941.db2.gz NAYYPQUZFOHNIA-WFASDCNBSA-N 1 0 380.286 2.869 20 0 GFADRO CNc1cc(N2CCC[C@H]2C[NH2+][C@@H](C)c2cccc(Br)n2)ncn1 ZINC000925368676 664671142 /nfs/dbraw/zinc/67/11/42/664671142.db2.gz DOCAHRYXBLMMBD-STQMWFEESA-N 1 0 391.317 2.995 20 0 GFADRO O[C@H](C[NH2+][C@@H](C1CC1)C1CCOCC1)COc1ccccc1Br ZINC000925544467 664673023 /nfs/dbraw/zinc/67/30/23/664673023.db2.gz RWAROMZFKSIFPO-QAPCUYQASA-N 1 0 384.314 2.984 20 0 GFADRO Brc1ccc([C@@H](Cc2ccccn2)N[C@H]2C[NH2+]CCOC2)cc1 ZINC000925649363 664673735 /nfs/dbraw/zinc/67/37/35/664673735.db2.gz JEQOENUXZINUFF-ZWKOTPCHSA-N 1 0 376.298 2.706 20 0 GFADRO Cn1cc(CN[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c(Br)n1 ZINC000925806471 664675030 /nfs/dbraw/zinc/67/50/30/664675030.db2.gz QFDUWUDIPQQFDE-WMLDXEAASA-N 1 0 377.286 2.528 20 0 GFADRO COC(=O)c1cc(NC(=O)N2CC[C@H](C(F)(F)F)[C@H]([NH3+])C2)ccc1Cl ZINC000925945559 664677957 /nfs/dbraw/zinc/67/79/57/664677957.db2.gz XDWKWDRQHZJIHK-CMPLNLGQSA-N 1 0 379.766 2.870 20 0 GFADRO COc1cc(Br)c(NC(=O)NCC[C@@H]2C[NH2+]C[C@H]2C)cc1OC ZINC000925972857 664678476 /nfs/dbraw/zinc/67/84/76/664678476.db2.gz KHNRVMXBVNIUNI-GHMZBOCLSA-N 1 0 386.290 2.833 20 0 GFADRO Cc1cc(Br)ncc1NC(=O)N1CC[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000926057595 664680294 /nfs/dbraw/zinc/68/02/94/664680294.db2.gz YWQVBQQBTGURPZ-RKDXNWHRSA-N 1 0 381.196 2.896 20 0 GFADRO CCOC(=O)c1c(NC(=O)N2C[C@@H]([NH3+])C(C)(C)C2)sc2c1CCSC2 ZINC000926078775 664680935 /nfs/dbraw/zinc/68/09/35/664680935.db2.gz BPBGFORQMZQFMW-GFCCVEGCSA-N 1 0 383.539 2.915 20 0 GFADRO Cc1nc(Br)ccc1NC(=O)N1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000926083885 664681245 /nfs/dbraw/zinc/68/12/45/664681245.db2.gz UCGLRWRVGCWCPR-GFCCVEGCSA-N 1 0 383.290 2.514 20 0 GFADRO O=C(Nc1ccncc1Br)N1CCC([C@@H]2CCC[NH2+]CC2)CC1 ZINC000926082773 664681274 /nfs/dbraw/zinc/68/12/74/664681274.db2.gz IBEPEFSLBSPQKC-CYBMUJFWSA-N 1 0 381.318 2.900 20 0 GFADRO Cc1nc(NC(=O)N2CC[C@@H](C(F)(F)F)[C@H]([NH3+])C2)ccc1Br ZINC000926091704 664681421 /nfs/dbraw/zinc/68/14/21/664681421.db2.gz QOFMPWPJQWDKGG-PSASIEDQSA-N 1 0 381.196 2.896 20 0 GFADRO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(C(=O)Nc1cc(C)cc(Br)c1)C2 ZINC000926097322 664681583 /nfs/dbraw/zinc/68/15/83/664681583.db2.gz LDVFYEZMRGZVHA-PPHDSNJXSA-N 1 0 396.285 2.502 20 0 GFADRO O=C(NC[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)Nc1cc(Cl)c(F)c(Cl)c1 ZINC000926104426 664681802 /nfs/dbraw/zinc/68/18/02/664681802.db2.gz KFIKNWBISNYRNF-SNVBAGLBSA-N 1 0 390.242 2.939 20 0 GFADRO [NH3+][C@]1(CO)CCCN(C(=O)N[C@@H](c2ccc(F)c(Cl)c2)C(F)(F)F)C1 ZINC000926107879 664681954 /nfs/dbraw/zinc/68/19/54/664681954.db2.gz WHHLSFHGDYIZAD-GXTWGEPZSA-N 1 0 383.773 2.578 20 0 GFADRO [NH3+][C@@]1(CO)CCCN(C(=O)Nc2cc(F)c(Br)cc2Cl)C1 ZINC000926110377 664681966 /nfs/dbraw/zinc/68/19/66/664681966.db2.gz VLFSSMAZQNIYCP-ZDUSSCGKSA-N 1 0 380.645 2.559 20 0 GFADRO [NH3+][C@@H]1CN(C(=O)N[C@@H](c2nccs2)C(F)(F)F)CC[C@H]1C(F)(F)F ZINC000926127321 664682366 /nfs/dbraw/zinc/68/23/66/664682366.db2.gz WYZFLBZOCACSLT-PRJMDXOYSA-N 1 0 376.326 2.668 20 0 GFADRO COc1cc(I)ccc1NC(=O)N1CC[C@@H](CC[NH3+])C1 ZINC000926134181 664682500 /nfs/dbraw/zinc/68/25/00/664682500.db2.gz RYGQLKUAKWHOPV-SNVBAGLBSA-N 1 0 389.237 2.502 20 0 GFADRO CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NC(=O)c1cc(Cl)c(N)c(Cl)c1)C2 ZINC000926138984 664682806 /nfs/dbraw/zinc/68/28/06/664682806.db2.gz XEFXPYWASDWYOI-AHEZYBDSSA-N 1 0 386.323 2.785 20 0 GFADRO Cc1ccc(C(=O)N[C@@H]2C[C@@]3(C[N@@H+](C)[C@H]3C(C)C)C[C@H]2O)cc1Br ZINC000926166163 664683596 /nfs/dbraw/zinc/68/35/96/664683596.db2.gz HVGGNLZDVOKLTN-VXNCWWDNSA-N 1 0 395.341 2.967 20 0 GFADRO Cc1cc(Br)c(Cl)cc1NC(=O)N1CCC[C@@]([NH3+])(CO)C1 ZINC000926173031 664683964 /nfs/dbraw/zinc/68/39/64/664683964.db2.gz IBLDSZOMEYCOBD-AWEZNQCLSA-N 1 0 376.682 2.728 20 0 GFADRO C[N@@H+]1CC[C@@](O)(CN[C@H](c2ccc(Br)cc2)c2cccnc2)C1 ZINC000926172262 664683977 /nfs/dbraw/zinc/68/39/77/664683977.db2.gz CJVMLNIGHOOMBS-QZTJIDSGSA-N 1 0 376.298 2.590 20 0 GFADRO CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NC(=O)c1ccc(Br)cc1)C2 ZINC000926192853 664684587 /nfs/dbraw/zinc/68/45/87/664684587.db2.gz KODRKWXCAOXASI-XLMAVXFVSA-N 1 0 381.314 2.659 20 0 GFADRO O=S(=O)(NCCC[NH2+][C@@H](C1CC1)[C@@H]1CCCOC1)c1ccccc1Cl ZINC000926353703 664688418 /nfs/dbraw/zinc/68/84/18/664688418.db2.gz LQYOMOFDDUCERW-QAPCUYQASA-N 1 0 386.945 2.803 20 0 GFADRO COC[C@H](C[NH2+][C@@H](C)C1CCN(S(C)(=O)=O)CC1)c1ccc(Cl)cc1 ZINC000926520561 664691325 /nfs/dbraw/zinc/69/13/25/664691325.db2.gz RJDFWYKVHKIILU-YOEHRIQHSA-N 1 0 388.961 2.720 20 0 GFADRO Cc1c(Br)cccc1C[C@H](CO)C[NH2+][C@@H]1CCOC12CCOCC2 ZINC000926543433 664692143 /nfs/dbraw/zinc/69/21/43/664692143.db2.gz LVNIAMMXRXOJBA-MAUKXSAKSA-N 1 0 398.341 2.836 20 0 GFADRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]CC[S@](=O)CC(F)(F)F)C12CCC2 ZINC000926685620 664695263 /nfs/dbraw/zinc/69/52/63/664695263.db2.gz YLKRKALLBHYVNW-VDBVYFBLSA-N 1 0 384.464 2.819 20 0 GFADRO O=C(NCC[NH2+][C@@H]1CCc2c1nccc2Cl)c1ccc(Br)cn1 ZINC000926683367 664695274 /nfs/dbraw/zinc/69/52/74/664695274.db2.gz NEWVKDJLEPBCKO-CYBMUJFWSA-N 1 0 395.688 2.899 20 0 GFADRO O=C1NCC2(CCOCC2)[C@@H]1[NH2+][C@H]1CSCc2ccc(Br)cc21 ZINC000926700078 664695614 /nfs/dbraw/zinc/69/56/14/664695614.db2.gz NCYJFISDLPQODT-LSDHHAIUSA-N 1 0 397.338 2.622 20 0 GFADRO O=C1NCC2(CCOCC2)[C@@H]1[NH2+]CC/C=C\c1ccc(Br)cc1 ZINC000926744226 664696124 /nfs/dbraw/zinc/69/61/24/664696124.db2.gz DIVYKXYOLCELMG-SSCKWRJFSA-N 1 0 379.298 2.737 20 0 GFADRO CN1CC[C@H]([NH2+]C[C@H](O)[C@H]2CCCO2)C[C@H]1c1ccc(Br)cc1 ZINC000926748980 664696160 /nfs/dbraw/zinc/69/61/60/664696160.db2.gz JIFOSHZVQOLRTK-XLAORIBOSA-N 1 0 383.330 2.714 20 0 GFADRO O=C1NCCN1CC[NH2+][C@@H](c1ccc(Br)cc1)c1cccnc1 ZINC000926874565 664698202 /nfs/dbraw/zinc/69/82/02/664698202.db2.gz VITDLQPHUBSSSO-INIZCTEOSA-N 1 0 375.270 2.548 20 0 GFADRO C[C@H](C[C@H]1CCC(=O)N1)[NH2+]Cc1ccn(-c2ccc(Br)cc2)n1 ZINC000926874447 664698224 /nfs/dbraw/zinc/69/82/24/664698224.db2.gz TYAOIRYXUWMDCK-TZMCWYRMSA-N 1 0 377.286 2.782 20 0 GFADRO CN1CC[C@H]([NH2+]C[C@@H]2C[C@@H]3COC[C@@H]3O2)C[C@H]1c1ccc(Br)cc1 ZINC000926940881 664699350 /nfs/dbraw/zinc/69/93/50/664699350.db2.gz ASVYTAMWUUUJBC-RFZNHBKKSA-N 1 0 395.341 2.978 20 0 GFADRO COC(=O)c1cncc([C@H](C)[NH2+]CC2(n3cc(Br)cn3)CC2)c1 ZINC000927005073 664702010 /nfs/dbraw/zinc/70/20/10/664702010.db2.gz HZIPPQXCTWWAAD-NSHDSACASA-N 1 0 379.258 2.667 20 0 GFADRO CCO[C@H]1C[C@H]([NH2+]CC2(n3cc(Br)cn3)CC2)C12CCOCC2 ZINC000927003754 664702034 /nfs/dbraw/zinc/70/20/34/664702034.db2.gz BZSRSYWAHLXXGT-GJZGRUSLSA-N 1 0 384.318 2.699 20 0 GFADRO C[C@H]([NH2+]C[C@H](O)CS(C)(=O)=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000927025696 664702448 /nfs/dbraw/zinc/70/24/48/664702448.db2.gz GXFOGIRVJQKOIF-UFBFGSQYSA-N 1 0 393.349 2.780 20 0 GFADRO CS(=O)(=O)C[C@@H](O)C[NH2+][C@H](Cc1ccc(F)cc1)c1ccccc1Cl ZINC000927034758 664702528 /nfs/dbraw/zinc/70/25/28/664702528.db2.gz XIKTVMIMCNUJLI-MAUKXSAKSA-N 1 0 385.888 2.758 20 0 GFADRO CN1CC[C@H]([NH2+]CCO[C@H]2CCOC2)C[C@@H]1c1ccc(Br)cc1 ZINC000927082332 664703155 /nfs/dbraw/zinc/70/31/55/664703155.db2.gz DSXFXUUBBWSTJM-OKZBNKHCSA-N 1 0 383.330 2.980 20 0 GFADRO COCCC[C@@H]([NH2+]C[C@@H](O)c1ccnn1C)c1ccc(Br)cc1 ZINC000927128750 664704917 /nfs/dbraw/zinc/70/49/17/664704917.db2.gz FGKOTYGUSKSTAC-NVXWUHKLSA-N 1 0 382.302 2.974 20 0 GFADRO C[C@H](CCc1ccc(I)cc1)[NH2+]C[C@@H](O)c1ccnn1C ZINC000927133577 664705141 /nfs/dbraw/zinc/70/51/41/664705141.db2.gz ZRTKFWPXQPMXPC-MLGOLLRUSA-N 1 0 399.276 2.669 20 0 GFADRO Cn1nnc2c1C[C@H]([NH2+][C@@H]1CCCOc3c(Br)cccc31)CC2 ZINC000927152757 664705204 /nfs/dbraw/zinc/70/52/04/664705204.db2.gz VOCVNGVMZLAWFA-BXUZGUMPSA-N 1 0 377.286 2.938 20 0 GFADRO O=C(NC[C@H]1CC[N@@H+]1C1CCOCC1)Nc1ccc(Br)cc1F ZINC000927645629 664713362 /nfs/dbraw/zinc/71/33/62/664713362.db2.gz NZXWHBGTLMUJPK-CYBMUJFWSA-N 1 0 386.265 2.963 20 0 GFADRO Cc1c(NC(=O)C(=O)NCC[C@H](C)[NH3+])cc(Br)cc1C(F)(F)F ZINC000927793878 664716005 /nfs/dbraw/zinc/71/60/05/664716005.db2.gz HQCCNYCHKWPZJR-ZETCQYMHSA-N 1 0 396.207 2.568 20 0 GFADRO C[NH2+]CCN(C(=O)C(=O)Nc1cc(F)c(Br)cc1Cl)C(C)C ZINC000927865368 664716891 /nfs/dbraw/zinc/71/68/91/664716891.db2.gz RTNQQOLVQBMDJJ-UHFFFAOYSA-N 1 0 394.672 2.637 20 0 GFADRO C[C@H]1CN(C(=O)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)CC[C@@H]1C[NH3+] ZINC000927894259 664717494 /nfs/dbraw/zinc/71/74/94/664717494.db2.gz SUVOYSXSKBCFGJ-VHSXEESVSA-N 1 0 377.794 2.741 20 0 GFADRO O=C(Cc1csc(CCC(F)(F)F)n1)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000928099563 664723197 /nfs/dbraw/zinc/72/31/97/664723197.db2.gz DLRKXNNATARNFF-OLZOCXBDSA-N 1 0 393.500 2.877 20 0 GFADRO CC(C)(C)NS(=O)(=O)C1([C@H](O)C[N@@H+]2CCC[C@H]2c2cccs2)CCC1 ZINC000929130599 664746814 /nfs/dbraw/zinc/74/68/14/664746814.db2.gz CGHQPNHQXAZVNZ-GOEBONIOSA-N 1 0 386.583 2.887 20 0 GFADRO Cc1cc(NC(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)ccc1Br ZINC000929172862 664747583 /nfs/dbraw/zinc/74/75/83/664747583.db2.gz KTNODIALPYFAHY-JKSUJKDBSA-N 1 0 382.302 2.820 20 0 GFADRO CC(C)(C)OC(=O)NC[C@H]1CC[N@H+](C[C@](C)(O)C(F)(F)C(F)(F)F)C1 ZINC000929461344 664752777 /nfs/dbraw/zinc/75/27/77/664752777.db2.gz HYXXVAOJMZDOIH-MFKMUULPSA-N 1 0 376.366 2.782 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)C1(n2cc(Br)cn2)CC1)c1cccc(F)c1 ZINC000929467620 664752945 /nfs/dbraw/zinc/75/29/45/664752945.db2.gz OIUXPZPZPRCRSG-OAHLLOKOSA-N 1 0 395.276 2.693 20 0 GFADRO COc1cccc([C@@H](CNC(=O)c2c(C)[nH]nc2Br)[NH+](C)C)c1 ZINC000929468752 664752956 /nfs/dbraw/zinc/75/29/56/664752956.db2.gz YZMPTHSVURKWPX-CYBMUJFWSA-N 1 0 381.274 2.522 20 0 GFADRO CC[N@H+](C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C)[C@H](C)CS(=O)(=O)CC ZINC000929641674 664755571 /nfs/dbraw/zinc/75/55/71/664755571.db2.gz TVVVTGCDMLFECE-BZUAXINKSA-N 1 0 376.563 2.635 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000929771244 664757500 /nfs/dbraw/zinc/75/75/00/664757500.db2.gz MTIKYNAEPZJVKA-CVEARBPZSA-N 1 0 382.302 2.820 20 0 GFADRO COc1ccc(Br)c(NC(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)c1 ZINC000930075171 664762134 /nfs/dbraw/zinc/76/21/34/664762134.db2.gz BRXKFOLNACWTCD-JKSUJKDBSA-N 1 0 398.301 2.521 20 0 GFADRO CCO[C@H](CNC(=O)Nc1cccc(Br)c1COC)C[NH+](C)C ZINC000930087858 664762641 /nfs/dbraw/zinc/76/26/41/664762641.db2.gz XUTQYQOLHUOPQH-GFCCVEGCSA-N 1 0 388.306 2.684 20 0 GFADRO COc1ccc(NC(=O)NC[C@@H]2CC[N@@H+]2C2CCOCC2)c(Br)c1 ZINC000930141002 664763325 /nfs/dbraw/zinc/76/33/25/664763325.db2.gz NDKKGWRFDPPEGR-ZDUSSCGKSA-N 1 0 398.301 2.833 20 0 GFADRO Cc1[nH]nc(Br)c1C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000930202532 664764446 /nfs/dbraw/zinc/76/44/46/664764446.db2.gz XBOYNNMGLJAEAO-UHFFFAOYSA-N 1 0 391.313 2.918 20 0 GFADRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)c1cc(Br)c2nccnc2c1 ZINC000930367700 664768385 /nfs/dbraw/zinc/76/83/85/664768385.db2.gz FIQMJNJBFOMZAB-NSHDSACASA-N 1 0 375.270 2.606 20 0 GFADRO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)Nc2nnc(CC(F)(F)F)s2)C1 ZINC000930427645 664770268 /nfs/dbraw/zinc/77/02/68/664770268.db2.gz YQCOEWACELSVLX-NSHDSACASA-N 1 0 377.436 2.839 20 0 GFADRO Cc1ccc(NC(=O)N[C@H]2CCC[N@@H+]3CCSC[C@@H]23)c(Br)n1 ZINC000930462664 664771170 /nfs/dbraw/zinc/77/11/70/664771170.db2.gz NHSDGQXSLFDXKC-AAEUAGOBSA-N 1 0 385.331 2.854 20 0 GFADRO CC[NH+]1CCC(CNC(=O)[C@](C)(O)c2ccc(F)c(Br)c2)CC1 ZINC000930590802 664773920 /nfs/dbraw/zinc/77/39/20/664773920.db2.gz VNORGILJCYYDRZ-QGZVFWFLSA-N 1 0 387.293 2.644 20 0 GFADRO C[C@@H]1C[N@@H+](CCCCOc2ccc(Br)cc2)C[C@H](C)N1CCO ZINC000930644041 664775249 /nfs/dbraw/zinc/77/52/49/664775249.db2.gz HZSZVNWZFCFBHF-IYBDPMFKSA-N 1 0 385.346 2.995 20 0 GFADRO Clc1cccc(N2CC[NH+](C3CCN(Cc4nncs4)CC3)CC2)c1 ZINC000930679672 664775820 /nfs/dbraw/zinc/77/58/20/664775820.db2.gz IMJHPMZUGUSKEE-UHFFFAOYSA-N 1 0 377.945 2.978 20 0 GFADRO C[C@@H]1CC[C@H](C(N)=O)[C@H](C)[N@@H+]1Cc1nnc(-c2ccccc2Br)o1 ZINC000930917609 664780884 /nfs/dbraw/zinc/78/08/84/664780884.db2.gz XKWSOCNGFBSELV-WOPDTQHZSA-N 1 0 393.285 2.973 20 0 GFADRO C[C@@H]1CC[C@@H](C(N)=O)[C@@H](C)[N@@H+]1Cc1nnc(-c2ccccc2Br)o1 ZINC000930917607 664780894 /nfs/dbraw/zinc/78/08/94/664780894.db2.gz XKWSOCNGFBSELV-IJLUTSLNSA-N 1 0 393.285 2.973 20 0 GFADRO C[C@@H]1CC[C@H](C(N)=O)[C@H](C)[N@@H+]1Cc1nnc(-c2ccc(Br)o2)o1 ZINC000930917379 664780972 /nfs/dbraw/zinc/78/09/72/664780972.db2.gz WCEUETDLINGKME-UTLUCORTSA-N 1 0 383.246 2.566 20 0 GFADRO C[C@@H]1CC[C@@H](C(N)=O)[C@@H](C)[N@@H+]1Cc1nc(-c2cccc(Br)c2)no1 ZINC000930914803 664780991 /nfs/dbraw/zinc/78/09/91/664780991.db2.gz JFNQJMFBXLASAC-JTNHKYCSSA-N 1 0 393.285 2.973 20 0 GFADRO CC(C)[N@@H+]1CC[C@H](CNC(=O)C[C@H]2C(=O)Nc3c2cccc3Br)C1 ZINC000930945815 664781673 /nfs/dbraw/zinc/78/16/73/664781673.db2.gz PTOYPZMICNNWFP-TZMCWYRMSA-N 1 0 394.313 2.721 20 0 GFADRO CC(=O)NCCCCC[NH2+][C@]1(CO)CCc2cc(Br)ccc2C1 ZINC000931175357 664787496 /nfs/dbraw/zinc/78/74/96/664787496.db2.gz JOUKBRLSMLNRGA-GOSISDBHSA-N 1 0 383.330 2.565 20 0 GFADRO O=C(c1ccc2c(Br)cnn2c1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000931190421 664788061 /nfs/dbraw/zinc/78/80/61/664788061.db2.gz SGDSAFGXRNGHJS-CQSZACIVSA-N 1 0 377.286 2.797 20 0 GFADRO Cc1cc(Br)ccc1[C@@H]1CCC[N@@H+]1C[C@@H](O)C1(O)CCOCC1 ZINC000931260924 664789569 /nfs/dbraw/zinc/78/95/69/664789569.db2.gz HPVYLDZHAAIPBD-DLBZAZTESA-N 1 0 384.314 2.797 20 0 GFADRO CCn1ncc(NC(=O)N[C@H]2CCC[N@@H+]3CCSC[C@@H]23)c1C(F)(F)F ZINC000931264067 664789778 /nfs/dbraw/zinc/78/97/78/664789778.db2.gz ZEFJSMLJXUZRRD-JQWIXIFHSA-N 1 0 377.436 2.623 20 0 GFADRO C[NH+]1CCC(OCC(=O)Nc2ccc(N3CCSCC3)c(Cl)c2)CC1 ZINC000931286341 664790661 /nfs/dbraw/zinc/79/06/61/664790661.db2.gz XPVYQSUUVBCWOD-UHFFFAOYSA-N 1 0 383.945 2.943 20 0 GFADRO C[C@H](NC(=O)CN1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1)c1ccc(Br)cc1 ZINC000931302643 664790883 /nfs/dbraw/zinc/79/08/83/664790883.db2.gz AXZNQICBHYLPDI-JVPBZIDWSA-N 1 0 394.357 2.900 20 0 GFADRO Brc1ncn(CC[N@@H+]2CCC[C@@H](c3c[nH]c4ncccc34)C2)n1 ZINC000931375381 664792920 /nfs/dbraw/zinc/79/29/20/664792920.db2.gz IZMHNCAPVRKVNE-GFCCVEGCSA-N 1 0 375.274 2.797 20 0 GFADRO COC(=O)c1cc(NC(=O)N[C@@H]2CC[N@H+](C)[C@H]2C)c(C)cc1Br ZINC000931408197 664794346 /nfs/dbraw/zinc/79/43/46/664794346.db2.gz ZCBADKODUCAADO-GXFFZTMASA-N 1 0 384.274 2.758 20 0 GFADRO C[NH+]1CCC(CNC(=O)c2cc(Br)cnc2Br)CC1 ZINC000931433107 664794704 /nfs/dbraw/zinc/79/47/04/664794704.db2.gz PNIGZHSKERNFNY-UHFFFAOYSA-N 1 0 391.107 2.678 20 0 GFADRO C[C@@H](NC(=O)CN1C[C@@H]2CC[N@H+](C)C[C@@H]2C1)c1ccc(Br)cc1 ZINC000931429360 664794736 /nfs/dbraw/zinc/79/47/36/664794736.db2.gz FURYTWKNXQDHEX-VNQPRFMTSA-N 1 0 380.330 2.510 20 0 GFADRO CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)Nc1cc(Br)nn1C ZINC000931520115 664797371 /nfs/dbraw/zinc/79/73/71/664797371.db2.gz TWOGBFZREJQOSG-UHFFFAOYSA-N 1 0 380.290 2.908 20 0 GFADRO CCOC(=O)c1nc(NC(=O)N[C@@H](C)CC[NH+](C)C)sc1C(F)(F)F ZINC000931597066 664800546 /nfs/dbraw/zinc/80/05/46/664800546.db2.gz QDWGAGMLKFMJMX-QMMMGPOBSA-N 1 0 382.408 2.800 20 0 GFADRO Cc1nc([C@H]2CCN([C@@H]3CCc4cc(Br)ccc4NC3=O)C2)no1 ZINC000931934620 664807452 /nfs/dbraw/zinc/80/74/52/664807452.db2.gz BKKJWQCKGZIXJN-SWLSCSKDSA-N 1 0 391.269 2.883 20 0 GFADRO CC(C)c1ncc(Br)c(C(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)n1 ZINC000932034851 664809280 /nfs/dbraw/zinc/80/92/80/664809280.db2.gz QRDQQRYEYSPOIY-ZDUSSCGKSA-N 1 0 399.333 2.545 20 0 GFADRO C[N@@H+]1CCC[C@H](CNC(=O)c2cnn(Cc3ccccc3)c2Br)C1 ZINC000932312942 664819408 /nfs/dbraw/zinc/81/94/08/664819408.db2.gz QOCJHHRVPLEMRR-OAHLLOKOSA-N 1 0 391.313 2.766 20 0 GFADRO CS(=O)(=O)N1CCC[C@H](C[N@H+](Cc2nc3ccccc3s2)C2CC2)C1 ZINC000932401972 664821330 /nfs/dbraw/zinc/82/13/30/664821330.db2.gz YLPHHMPVHPZNQK-CQSZACIVSA-N 1 0 379.551 2.932 20 0 GFADRO C[NH+](C)CCCOc1cccc(NC(=O)c2ncc(Br)cn2)c1 ZINC000932546844 664825207 /nfs/dbraw/zinc/82/52/07/664825207.db2.gz ZRFDBLNBOQMKSH-UHFFFAOYSA-N 1 0 379.258 2.822 20 0 GFADRO CC(C)S(=O)(=O)CCC[N@@H+]1CC[C@H](CNC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000932706023 664832387 /nfs/dbraw/zinc/83/23/87/664832387.db2.gz UXJXRKIHATVGPP-HZPDHXFCSA-N 1 0 376.563 2.682 20 0 GFADRO C[NH+](C)CCCCNC(=O)c1cc(Br)cnc1Br ZINC000932709203 664832440 /nfs/dbraw/zinc/83/24/40/664832440.db2.gz YNPXHERXOCZJKT-UHFFFAOYSA-N 1 0 379.096 2.678 20 0 GFADRO C[N@@H+]1CCCN(CCCNC(=O)C/C=C/c2ccc(Br)cc2)CC1 ZINC000932724529 664833633 /nfs/dbraw/zinc/83/36/33/664833633.db2.gz FBMHFRDIOQXLSZ-GORDUTHDSA-N 1 0 394.357 2.996 20 0 GFADRO O=C1NCCC2(CC[NH+](C[C@H](O)COc3ccc(Cl)c(Cl)c3)CC2)O1 ZINC000932767268 664836045 /nfs/dbraw/zinc/83/60/45/664836045.db2.gz OFXZGLOLCDWMML-LBPRGKRZSA-N 1 0 389.279 2.698 20 0 GFADRO C[C@](O)(C[C@@H](O)C[N@@H+]1CCC[C@](O)(c2ccc(Br)cc2)C1)C1CC1 ZINC000932813619 664839677 /nfs/dbraw/zinc/83/96/77/664839677.db2.gz ADXXQCRAKFKIOI-CEXWTWQISA-N 1 0 398.341 2.645 20 0 GFADRO C[NH+](C)C1(CNC(=O)c2cc(Br)cnc2C2CC2)CCOCC1 ZINC000932824800 664840716 /nfs/dbraw/zinc/84/07/16/664840716.db2.gz PKUJSAFPPYNIHC-UHFFFAOYSA-N 1 0 382.302 2.562 20 0 GFADRO O=C1NC[C@H](O)CC12CC[NH+](Cc1cccc(Cl)c1Br)CC2 ZINC000932831201 664841319 /nfs/dbraw/zinc/84/13/19/664841319.db2.gz ICJVZJTYZKXXPQ-GFCCVEGCSA-N 1 0 387.705 2.566 20 0 GFADRO COc1ncc(NC(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)c(C)c1Br ZINC000932950453 664844723 /nfs/dbraw/zinc/84/47/23/664844723.db2.gz TVQKRWKSKADFDB-GFCCVEGCSA-N 1 0 381.274 2.639 20 0 GFADRO Cc1cnn(CCCCC[N@@H+]2CCn3ncc(I)c3C2)c1 ZINC000933113381 664849950 /nfs/dbraw/zinc/84/99/50/664849950.db2.gz DOBYBWUOLDLIFR-UHFFFAOYSA-N 1 0 399.280 2.679 20 0 GFADRO CN(CCCC[NH+](C)C)C(=O)C[C@@H]1C(=O)Nc2ccc(Br)cc21 ZINC000933215160 664852895 /nfs/dbraw/zinc/85/28/95/664852895.db2.gz ZMPJDQRULOTKEG-AWEZNQCLSA-N 1 0 382.302 2.675 20 0 GFADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)Nc1c(F)ccc(Br)c1F ZINC000933286420 664854348 /nfs/dbraw/zinc/85/43/48/664854348.db2.gz BLCBTOHCTPCXKI-UWVGGRQHSA-N 1 0 390.228 2.712 20 0 GFADRO C[C@](CO)(Cc1ccc(Br)cc1)[NH2+]CC(=O)NCc1cccs1 ZINC000933436691 664864042 /nfs/dbraw/zinc/86/40/42/664864042.db2.gz FXQKAPLMYNRWLO-QGZVFWFLSA-N 1 0 397.338 2.710 20 0 GFADRO C[C@@H]1C[C@H](N(C)C(=O)c2cc(Br)c3nccnc3c2)CC[N@@H+]1C ZINC000933440216 664864509 /nfs/dbraw/zinc/86/45/09/664864509.db2.gz BSCGJMRFLUPTPB-DGCLKSJQSA-N 1 0 377.286 2.947 20 0 GFADRO Cc1csc2nc(C[NH2+][C@](C)(CO)Cc3ccc(Cl)cc3)cc(=O)n12 ZINC000933447859 664865093 /nfs/dbraw/zinc/86/50/93/664865093.db2.gz GYHWHPGNGYHOGZ-SFHVURJKSA-N 1 0 377.897 2.801 20 0 GFADRO COc1ccc(C[C@](C)(CO)[NH2+]Cc2ccnc(Br)c2)cc1OC ZINC000933450317 664865197 /nfs/dbraw/zinc/86/51/97/664865197.db2.gz SARNWFNOSFQOAW-GOSISDBHSA-N 1 0 395.297 2.945 20 0 GFADRO C[C@H](C(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(I)cc1 ZINC000933490669 664866948 /nfs/dbraw/zinc/86/69/48/664866948.db2.gz CQHPMGCFLXTUAM-SLEUVZQESA-N 1 0 386.277 2.994 20 0 GFADRO O=C(CC[N@@H+]1CCOC[C@H]1C[C@H]1CCOC1)Nc1ccccc1Br ZINC000933664447 664871718 /nfs/dbraw/zinc/87/17/18/664871718.db2.gz CLMFIOMKWJGCLA-HUUCEWRRSA-N 1 0 397.313 2.905 20 0 GFADRO Cc1[nH]nc(Br)c1C(=O)N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC000933692628 664873384 /nfs/dbraw/zinc/87/33/84/664873384.db2.gz BAEWBWXSRMXYCJ-CQSZACIVSA-N 1 0 377.286 2.827 20 0 GFADRO NC(=O)[C@]12CCC[C@H]1C[N@H+](Cc1nc(-c3cccc(Br)c3)no1)C2 ZINC000933761150 664877325 /nfs/dbraw/zinc/87/73/25/664877325.db2.gz FLTGNDQFXODKBT-SJCJKPOMSA-N 1 0 391.269 2.587 20 0 GFADRO CC[NH+](CC)C[C@H]1CCN(C(=O)c2nc(Br)c3ccccn32)C1 ZINC000933772101 664877639 /nfs/dbraw/zinc/87/76/39/664877639.db2.gz MSMTXCRJJLCUFH-CYBMUJFWSA-N 1 0 379.302 2.901 20 0 GFADRO CCOC(=O)C1([C@H](C)[NH2+]Cc2ncc(Br)s2)CCOCC1 ZINC000933875807 664879539 /nfs/dbraw/zinc/87/95/39/664879539.db2.gz FJBWFQZZJSENAJ-JTQLQIEISA-N 1 0 377.304 2.744 20 0 GFADRO Cc1ccc(Br)c(C(=O)NC2CC[NH+](CCOC(C)C)CC2)n1 ZINC000934042122 664888514 /nfs/dbraw/zinc/88/85/14/664888514.db2.gz UBKMFHMPFGFBJP-UHFFFAOYSA-N 1 0 384.318 2.772 20 0 GFADRO O=C(c1cc(F)cc(Br)c1F)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000934222324 664892809 /nfs/dbraw/zinc/89/28/09/664892809.db2.gz KEBVYCDOEFRXEC-LLVKDONJSA-N 1 0 389.240 2.522 20 0 GFADRO C[C@@H](Cc1cccnc1)[NH2+]CCS(=O)(=O)c1ccc(Br)cc1 ZINC000934240372 664893222 /nfs/dbraw/zinc/89/32/22/664893222.db2.gz WDKAMOZUTNHFQX-ZDUSSCGKSA-N 1 0 383.311 2.839 20 0 GFADRO O=C(CC[N@H+]1CC[C@H]2[C@@H]1CCCN2CCO)Nc1c(Cl)cccc1Cl ZINC000934265800 664895666 /nfs/dbraw/zinc/89/56/66/664895666.db2.gz WKJGGECICWCLIJ-HOTGVXAUSA-N 1 0 386.323 2.853 20 0 GFADRO O=S(=O)(c1ccc(CN2CC[C@H](Cc3nccs3)C2)o1)N1CCCC1 ZINC000934332268 664899731 /nfs/dbraw/zinc/89/97/31/664899731.db2.gz FEDVYDZZRZPBBR-CQSZACIVSA-N 1 0 381.523 2.585 20 0 GFADRO O=S(=O)(CC[NH2+][C@@H]1CCOC12CCCC2)c1cccc(Br)c1 ZINC000934397371 664905248 /nfs/dbraw/zinc/90/52/48/664905248.db2.gz XIKJJGMJLIFJNB-OAHLLOKOSA-N 1 0 388.327 2.914 20 0 GFADRO CS(=O)(=O)N1CC[C@@H](C[NH+]2CCC(C(=O)c3ccccc3Cl)CC2)C1 ZINC000934417910 664906712 /nfs/dbraw/zinc/90/67/12/664906712.db2.gz NJCYYQOTRFYFPS-AWEZNQCLSA-N 1 0 384.929 2.516 20 0 GFADRO Cc1[nH]nc(Br)c1C(=O)N[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000934571618 664911942 /nfs/dbraw/zinc/91/19/42/664911942.db2.gz XIDDHBDZAOLIAD-FZMZJTMJSA-N 1 0 377.286 2.873 20 0 GFADRO Cc1nccn1CCCC[NH2+][C@@H](CO)c1ccccc1I ZINC000934827140 664924942 /nfs/dbraw/zinc/92/49/42/664924942.db2.gz OCUUASVLUUTVFR-INIZCTEOSA-N 1 0 399.276 2.900 20 0 GFADRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3nc(Br)c4ccccn43)CC[C@@H]21 ZINC000934890320 664928398 /nfs/dbraw/zinc/92/83/98/664928398.db2.gz MSJISYQNBPIFGA-STQMWFEESA-N 1 0 377.286 2.653 20 0 GFADRO C[C@@H]1C[N@@H+](C)C[C@H](C)N1C(=O)c1cc2ccc(Br)cc2c(=O)o1 ZINC000935089589 664939156 /nfs/dbraw/zinc/93/91/56/664939156.db2.gz KSIKERFWHNIXHJ-PHIMTYICSA-N 1 0 379.254 2.720 20 0 GFADRO C[N@H+]1CC=C(CNC(=O)c2cc3ccc(Br)cc3c(=O)o2)CC1 ZINC000935247615 664948355 /nfs/dbraw/zinc/94/83/55/664948355.db2.gz ORSQLQYGNRQCRP-UHFFFAOYSA-N 1 0 377.238 2.547 20 0 GFADRO C[C@H]1C[N@H+](CCCNC(=O)c2ncc(C(F)(F)F)cc2Cl)CCCO1 ZINC000935660034 664979408 /nfs/dbraw/zinc/97/94/08/664979408.db2.gz ZQXOTGCMHTWGNA-NSHDSACASA-N 1 0 379.810 2.985 20 0 GFADRO C[NH+](C)C[C@]1(O)CCCN(C(=O)C/C=C\c2ccc(Br)cc2)C1 ZINC000935679978 664980841 /nfs/dbraw/zinc/98/08/41/664980841.db2.gz NUEITWCNGWCRCJ-LKIHTYOGSA-N 1 0 381.314 2.768 20 0 GFADRO CC[C@H]1C[N@H+](C)CCCN1C(=O)C[C@@H]1C(=O)Nc2ccc(Br)cc21 ZINC000935778803 664988041 /nfs/dbraw/zinc/98/80/41/664988041.db2.gz WJEVBFVDCLZPEG-ZFWWWQNUSA-N 1 0 394.313 2.818 20 0 GFADRO Cc1ccc(Br)c2[nH]c(C(=O)N3CC[C@@H]([N@@H+]4CC[C@H](O)C4)C3)cc21 ZINC000935985804 665002718 /nfs/dbraw/zinc/00/27/18/665002718.db2.gz QWNCCSYFAKSENN-OLZOCXBDSA-N 1 0 392.297 2.520 20 0 GFADRO C[C@@H]1[C@H](C(=O)NC[C@H]2CC[C@@H](NC(=O)c3csc(Cl)c3)C2)CC[N@@H+]1C ZINC000981467080 665018092 /nfs/dbraw/zinc/01/80/92/665018092.db2.gz OXNBFKDNTANAEH-AYRXBEOTSA-N 1 0 383.945 2.756 20 0 GFADRO CC[C@@H]1[C@@H](C(=O)N2CC[C@H](NC(=O)c3cscc3Cl)[C@H]2C)CC[N@@H+]1C ZINC000988584334 665020816 /nfs/dbraw/zinc/02/08/16/665020816.db2.gz MVSVUOBGLWRSEZ-GUYJKWIASA-N 1 0 383.945 2.851 20 0 GFADRO C[C@@H]1[C@H](C(=O)N2C[C@@H](CNC(=O)c3ccsc3Cl)[C@H](C)C2)CC[N@@H+]1C ZINC000994000660 665022481 /nfs/dbraw/zinc/02/24/81/665022481.db2.gz JQUJVFQAKZIAMF-AAVRWANBSA-N 1 0 383.945 2.566 20 0 GFADRO Cc1csc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H]2CCC[N@H+]2C)c1Cl ZINC000996748714 665033739 /nfs/dbraw/zinc/03/37/39/665033739.db2.gz ZVUQZHDLPOLBPD-ZOBORPQBSA-N 1 0 381.929 2.666 20 0 GFADRO C[C@@H]1CCC[N@@H+]1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cscc1Cl ZINC001000461619 665046709 /nfs/dbraw/zinc/04/67/09/665046709.db2.gz WTEVHZXPUPWHIT-MPTQWLOMSA-N 1 0 381.929 2.748 20 0 GFADRO C[N@@H+]1CC[C@H](CC(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cc(Cl)cs2)C3)C1 ZINC001002613672 665055589 /nfs/dbraw/zinc/05/55/89/665055589.db2.gz LZADNMCQLFNWHS-NGFQHRJXSA-N 1 0 381.929 2.605 20 0 GFADRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2csc(Br)c2)C1)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001022453147 665073922 /nfs/dbraw/zinc/07/39/22/665073922.db2.gz YMSDUVSRKNAFTP-YECZKKJWSA-N 1 0 397.338 2.671 20 0 GFADRO C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1[NH2+]Cc1c(Br)cnn1C ZINC000389777853 677408483 /nfs/dbraw/zinc/40/84/83/677408483.db2.gz BTJKFBHMOPCMOI-WCQYABFASA-N 1 0 387.322 2.918 20 0 GFADRO COc1ccc(CNC(=O)N(C)[C@H]2CC[N@H+](C)C[C@@H]2C)cc1Br ZINC000120463100 677396113 /nfs/dbraw/zinc/39/61/13/677396113.db2.gz WWHLHVWRIXREDA-WFASDCNBSA-N 1 0 384.318 2.939 20 0 GFADRO C[C@H](CC(=O)NC[C@H](C)N1CC[NH+](C)CC1)c1ccc(Br)cc1 ZINC000120483412 677396574 /nfs/dbraw/zinc/39/65/74/677396574.db2.gz NKENOICTQIRKCO-CABCVRRESA-N 1 0 382.346 2.695 20 0 GFADRO O=C1[C@@H]([NH2+][C@H](CCO)c2ccc(Cl)c(Cl)c2)CCN1C1CCOCC1 ZINC000375743073 677405195 /nfs/dbraw/zinc/40/51/95/677405195.db2.gz MWZIEGSDIIYEKJ-SJORKVTESA-N 1 0 387.307 2.786 20 0 GFADRO Cn1cc(Br)c(C[NH2+][C@@H]2CCC[C@@H]2CNC(=O)OC(C)(C)C)n1 ZINC000393338533 677410492 /nfs/dbraw/zinc/41/04/92/677410492.db2.gz PAECNRTVRNCJCI-DGCLKSJQSA-N 1 0 387.322 2.966 20 0 GFADRO CC(=O)Nc1ccc(C[NH2+]C[C@@H](O)COc2cccc(Br)c2)cc1 ZINC000579583049 677673454 /nfs/dbraw/zinc/67/34/54/677673454.db2.gz ZOOLWUOEMPUKGE-QGZVFWFLSA-N 1 0 393.281 2.937 20 0 GFADRO CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+]C[C@@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000579824616 677673545 /nfs/dbraw/zinc/67/35/45/677673545.db2.gz OPXGCLNYKLXPNQ-BFHYXJOUSA-N 1 0 396.336 2.679 20 0 GFADRO COC(=O)c1cc(C[N@H+](CCO)Cc2cccc(Br)c2)cn1C ZINC000580244619 677673936 /nfs/dbraw/zinc/67/39/36/677673936.db2.gz NOOLHZOFQXEXBQ-UHFFFAOYSA-N 1 0 381.270 2.569 20 0 GFADRO Fc1ccc(-c2nc(Cl)cc(N3CCN4CC[NH2+]C[C@@H]4C3)n2)cc1Cl ZINC001164400028 718842766 /nfs/dbraw/zinc/84/27/66/718842766.db2.gz NTPFHYHPCPBKKU-GFCCVEGCSA-N 1 0 382.270 2.683 20 0 GFADRO FC(F)(c1cnc(Cl)c(Cl)c1)N1CCCO[C@@]2(C[NH2+]CCOC2)C1 ZINC001164420471 718912568 /nfs/dbraw/zinc/91/25/68/718912568.db2.gz JGNRABUUKWPISE-AWEZNQCLSA-N 1 0 382.238 2.519 20 0 GFADRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(F)(F)Sc1ccc(Cl)nc1 ZINC001164618885 719018964 /nfs/dbraw/zinc/01/89/64/719018964.db2.gz ULWOVNBJCBEYPX-ZMLRMANQSA-N 1 0 377.844 2.603 20 0 GFADRO CCOC(=O)Cc1ccc(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)nn1 ZINC001164629004 719088809 /nfs/dbraw/zinc/08/88/09/719088809.db2.gz PSPAWFHHRSAGBT-UYAOXDASSA-N 1 0 380.492 2.683 20 0 GFADRO C[N@@H+]1CCO[C@@H]2CN(c3ncnc4cc(OCc5ccccc5)ccc43)C[C@@H]21 ZINC001164669449 719478750 /nfs/dbraw/zinc/47/87/50/719478750.db2.gz UYVWOXMBDPCASQ-LEWJYISDSA-N 1 0 376.460 2.728 20 0 GFADRO CC(C)N(C)Cc1nn(-c2cncc(OCC3CCCC3)n2)c2c1CC[NH2+]C2 ZINC001164683275 719649793 /nfs/dbraw/zinc/64/97/93/719649793.db2.gz UYMRAIMZSQNYKT-UHFFFAOYSA-N 1 0 384.528 2.717 20 0 GFADRO CNC(=O)C[N@@H+]1CCCC12CCN(C(F)(F)c1nc(Cl)ccc1F)CC2 ZINC001164684286 719719139 /nfs/dbraw/zinc/71/91/39/719719139.db2.gz GDOHJYFZQXETGS-UHFFFAOYSA-N 1 0 390.837 2.600 20 0 GFADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1nc(C(C)(C)C)nc(Cl)c1C)CC2 ZINC001164689553 719739659 /nfs/dbraw/zinc/73/96/59/719739659.db2.gz HQFBBCMZQMJIAO-UHFFFAOYSA-N 1 0 393.963 2.917 20 0 GFADRO c1csc(C[N@@H+]2CCOC3(CCN(c4cncc(-n5ccnc5)n4)CC3)C2)c1 ZINC001164697741 719895246 /nfs/dbraw/zinc/89/52/46/719895246.db2.gz PBBJIMBCZDESDE-UHFFFAOYSA-N 1 0 396.520 2.595 20 0 GFADRO CC(C)(c1ccnc(Cl)c1)[N@@H+]1C[C@@H]2COC[C@@H](C(=O)N3CCCCO3)[C@H]2C1 ZINC001164703063 719924725 /nfs/dbraw/zinc/92/47/25/719924725.db2.gz ILTODZIOZREVKO-HYVNUMGLSA-N 1 0 393.915 2.719 20 0 GFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ncnc3c(OC)cccc31)C2 ZINC001164809819 720087761 /nfs/dbraw/zinc/08/77/61/720087761.db2.gz KRAIRCCWSFXOEL-VGOFRKELSA-N 1 0 382.508 2.823 20 0 GFADRO CCOC(=O)c1cnc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COC)c(C)c1 ZINC001164814841 720093919 /nfs/dbraw/zinc/09/39/19/720093919.db2.gz XGJRAJHISOMOFX-DENIHFKCSA-N 1 0 387.524 2.751 20 0 GFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1c(C)nc(Cl)nc1OC)C2 ZINC001164807377 720116217 /nfs/dbraw/zinc/11/62/17/720116217.db2.gz CDJXTYBLPAJITI-BEFAXECRSA-N 1 0 380.920 2.632 20 0 GFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1cnnc(Cl)c1)C2 ZINC001164811603 720117610 /nfs/dbraw/zinc/11/76/10/720117610.db2.gz MUDJDACWBQMYIE-RDJZCZTQSA-N 1 0 386.874 2.860 20 0 GFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(C(=O)OC)ccc1Cl)C2 ZINC001164815850 720124764 /nfs/dbraw/zinc/12/47/64/720124764.db2.gz WKSCBTWGVUYRFB-MGPUTAFESA-N 1 0 393.915 2.706 20 0 GFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc3ccccc3c(OC)n1)C2 ZINC001164815528 720129258 /nfs/dbraw/zinc/12/92/58/720129258.db2.gz WGKHBIYQAZQXMD-VGSWGCGISA-N 1 0 382.508 2.823 20 0 GFADRO CCOC(=O)/C=C/c1ccc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COC)nc1 ZINC001164811084 720139347 /nfs/dbraw/zinc/13/93/47/720139347.db2.gz LGYWCNWPAASJDG-ZJKMDRDDSA-N 1 0 399.535 2.843 20 0 GFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cc(-c3nc(C)no3)ccn1)C2 ZINC001164819035 720174316 /nfs/dbraw/zinc/17/43/16/720174316.db2.gz VPELYFYOWTYXNT-RXVVDRJESA-N 1 0 383.496 2.625 20 0 GFADRO Cc1ccc2nc(N3CCCn4c(=O)cc(C[N@@H+](C)C(C)C)nc4C3)ncc2c1 ZINC001164814792 720225160 /nfs/dbraw/zinc/22/51/60/720225160.db2.gz ZFFQEGYMBIKMCW-UHFFFAOYSA-N 1 0 392.507 2.745 20 0 GFADRO Cc1nc(Cl)nc(N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c1C ZINC001164817857 720285736 /nfs/dbraw/zinc/28/57/36/720285736.db2.gz GGKZIOTVBXICFI-SJORKVTESA-N 1 0 391.947 2.658 20 0 GFADRO Cc1csc2ncnc(N3CC[C@@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)c12 ZINC001164817482 720288736 /nfs/dbraw/zinc/28/87/36/720288736.db2.gz DBTKKHIBGFQNOU-DLBZAZTESA-N 1 0 399.564 2.911 20 0 GFADRO Cc1cc(N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)ncc1Cl ZINC001164822069 720306241 /nfs/dbraw/zinc/30/62/41/720306241.db2.gz MMKZPFFHQLHHIN-MSOLQXFVSA-N 1 0 376.932 2.955 20 0 GFADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2ccc3ncccc3n2)CC1 ZINC001164819221 720314223 /nfs/dbraw/zinc/31/42/23/720314223.db2.gz CYDBENWBVGYGJV-VQTJNVASSA-N 1 0 379.508 2.541 20 0 GFADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2nccc3scnc32)CC1 ZINC001164833934 720321636 /nfs/dbraw/zinc/32/16/36/720321636.db2.gz YARWFPXBTGMKLR-CVEARBPZSA-N 1 0 385.537 2.603 20 0 GFADRO Cc1nc(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc(C)c1Cl ZINC001164823345 720324806 /nfs/dbraw/zinc/32/48/06/720324806.db2.gz ASIBROZSZFOYPW-DLBZAZTESA-N 1 0 391.947 2.658 20 0 GFADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2nccc3cnccc32)CC1 ZINC001164832902 720327442 /nfs/dbraw/zinc/32/74/42/720327442.db2.gz URSIMPPPIWPSQA-WOJBJXKFSA-N 1 0 379.508 2.541 20 0 GFADRO COC(=O)c1ccc2cnc(N3CC[C@@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)nc2c1 ZINC001164721609 720346124 /nfs/dbraw/zinc/34/61/24/720346124.db2.gz CLWORMQVFWSWGH-UXHICEINSA-N 1 0 389.459 2.665 20 0 GFADRO CCc1cc(Cl)nc(N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164822770 720350871 /nfs/dbraw/zinc/35/08/71/720350871.db2.gz FFSCYYOHZZOOCC-IAGOWNOFSA-N 1 0 391.947 2.604 20 0 GFADRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(C(F)(F)c2cc(Cl)nc(Cl)n2)C1 ZINC001164732229 720506725 /nfs/dbraw/zinc/50/67/25/720506725.db2.gz TXZADMRJKXOMPS-SNVBAGLBSA-N 1 0 391.253 2.723 20 0 GFADRO C[NH+](C)C[C@H]1Cn2ccnc2CN(c2ncccc2C(=O)NC2CCCCC2)C1 ZINC001164732723 720507080 /nfs/dbraw/zinc/50/70/80/720507080.db2.gz VYDXQPDXABRESP-KRWDZBQOSA-N 1 0 396.539 2.539 20 0 GFADRO Cc1nc(-c2ccccn2)nc(N2Cc3nccn3C[C@@H](C[NH+](C)C)C2)c1C ZINC001164735232 720529037 /nfs/dbraw/zinc/52/90/37/720529037.db2.gz WSNWAEWAAOXOTN-QGZVFWFLSA-N 1 0 377.496 2.550 20 0 GFADRO Cc1cc2ncnc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cccn5)[N@H+]4C(C)C)C3)c2[nH]1 ZINC001164834046 720559847 /nfs/dbraw/zinc/55/98/47/720559847.db2.gz CJRPTKSGCJAXBZ-ZIFCJYIRSA-N 1 0 379.512 2.841 20 0 GFADRO F[C@@H](Oc1ccc(Cl)nc1)N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001164727067 720565291 /nfs/dbraw/zinc/56/52/91/720565291.db2.gz AYPLMVSKMYZBPQ-GOSISDBHSA-N 1 0 379.867 2.718 20 0 GFADRO CC(C)[N@H+]1[C@@H]2CCN(c3c(F)nc(F)nc3Cl)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164841494 720593450 /nfs/dbraw/zinc/59/34/50/720593450.db2.gz SIQLQIHZMLGTIW-HZSPNIEDSA-N 1 0 396.873 2.983 20 0 GFADRO CC(C)[N@H+]1[C@@H]2CCN(c3cc(-c4nnco4)ccn3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164837791 720618082 /nfs/dbraw/zinc/61/80/82/720618082.db2.gz JMJZXZIAKAUQNI-CEXWTWQISA-N 1 0 393.495 2.706 20 0 GFADRO CC(C)[N@H+]1[C@@H]2CCN(c3nccnc3OC3CCC3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164839466 720632127 /nfs/dbraw/zinc/63/21/27/720632127.db2.gz NJYAOODIYMTQGJ-CMKODMSKSA-N 1 0 396.539 2.982 20 0 GFADRO CSc1cc(Cl)cnc1N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001164741098 720749633 /nfs/dbraw/zinc/74/96/33/720749633.db2.gz MCMFNTXEDBCGEW-UONOGXRCSA-N 1 0 377.901 2.589 20 0 GFADRO Cc1c[nH]c2nc(Cl)cc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)c12 ZINC001164741007 720752373 /nfs/dbraw/zinc/75/23/73/720752373.db2.gz LWCIJKMSWIJIRS-KGLIPLIRSA-N 1 0 384.871 2.657 20 0 GFADRO c1ncn(C[C@H]2C[C@@H]3CN(c4ccc5ncccc5n4)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164739815 720825011 /nfs/dbraw/zinc/82/50/11/720825011.db2.gz IWMSGYJHVMAUTA-DBXWQHBBSA-N 1 0 389.507 2.601 20 0 GFADRO c1ncn(C[C@@H]2C[C@H]3CN(c4ccc5ncccc5n4)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164739814 720825137 /nfs/dbraw/zinc/82/51/37/720825137.db2.gz IWMSGYJHVMAUTA-BBTUJRGHSA-N 1 0 389.507 2.601 20 0 GFADRO CC(C)c1nccc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164746929 720832399 /nfs/dbraw/zinc/83/23/99/720832399.db2.gz ZQYONBDYEIWGMF-CEXWTWQISA-N 1 0 381.528 2.571 20 0 GFADRO c1ncn(C[C@@H]2C[C@@H]3CN(c4cc(C5CC5)ccn4)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164740029 720833257 /nfs/dbraw/zinc/83/32/57/720833257.db2.gz BOYGIKYPRYLGFE-QHAWAJNXSA-N 1 0 378.524 2.930 20 0 GFADRO COCC[N@@H+]1CCO[C@H]2CN(C(F)(F)c3cc(Cl)ncc3F)CC[C@H]2C1 ZINC001164853013 720854330 /nfs/dbraw/zinc/85/43/30/720854330.db2.gz GAUXFEJCPUMIFW-WFASDCNBSA-N 1 0 393.837 2.593 20 0 GFADRO COCC[N@@H+]1CCO[C@H]2CN(C(F)(F)c3cc(C)cc(Cl)n3)CC[C@@H]2C1 ZINC001164862180 720861551 /nfs/dbraw/zinc/86/15/51/720861551.db2.gz ZKEZMIUJPLSURX-CABCVRRESA-N 1 0 389.874 2.762 20 0 GFADRO COCC[N@@H+]1CCO[C@H]2CN(c3ncccc3OCc3ccccc3)CC[C@@H]2C1 ZINC001164860047 720873376 /nfs/dbraw/zinc/87/33/76/720873376.db2.gz NZZUMWVUCPPKEJ-IRLDBZIGSA-N 1 0 397.519 2.834 20 0 GFADRO COCC[N@@H+]1CCO[C@H]2CN(c3nc(CC(C)C)nc(Cl)c3C)CC[C@H]2C1 ZINC001164853860 720886506 /nfs/dbraw/zinc/88/65/06/720886506.db2.gz DCIWVQMQIMIDOR-IRXDYDNUSA-N 1 0 396.963 2.810 20 0 GFADRO CCOC(=O)Cc1cccnc1N1CCn2c(C[N@H+](C)C(C)C)cnc2[C@H]1C ZINC001164862246 720935376 /nfs/dbraw/zinc/93/53/76/720935376.db2.gz VGNPMODOQXTLGM-MRXNPFEDSA-N 1 0 385.512 2.805 20 0 GFADRO CN(C)C(=O)NC[C@@H]1OC[C@@H]2CC[N@@H+](C(C)(C)c3ccnc(Cl)c3)C[C@H]21 ZINC001164757585 721001278 /nfs/dbraw/zinc/00/12/78/721001278.db2.gz PHSOSWBJRGSCKD-IMJJTQAJSA-N 1 0 380.920 2.578 20 0 GFADRO CCCNC(=O)c1ccc(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@@H]2C)nc1 ZINC001164861956 721005996 /nfs/dbraw/zinc/00/59/96/721005996.db2.gz RWPMGZBISGCNFD-INIZCTEOSA-N 1 0 384.528 2.839 20 0 GFADRO CC(C)[N@H+](C)Cc1cnc2n1CCN([C@@H](F)Oc1cncc(Cl)n1)[C@H]2C ZINC001164864383 721016178 /nfs/dbraw/zinc/01/61/78/721016178.db2.gz XMFVYSSIERYCRK-YVEFUNNKSA-N 1 0 382.871 2.875 20 0 GFADRO Cc1csc2ncnc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)c12 ZINC001164870038 721043239 /nfs/dbraw/zinc/04/32/39/721043239.db2.gz VIYNQBQJSQSQHS-DLBZAZTESA-N 1 0 381.505 2.874 20 0 GFADRO COc1nc2ccccc2nc1N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164866822 721064369 /nfs/dbraw/zinc/06/43/69/721064369.db2.gz FZCRHWQNDCSBEN-MSOLQXFVSA-N 1 0 391.475 2.513 20 0 GFADRO Cc1c[nH]c2nc(Cl)nc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)c12 ZINC001164867135 721071335 /nfs/dbraw/zinc/07/13/35/721071335.db2.gz IKYOPGVSCNCNLB-JKSUJKDBSA-N 1 0 398.898 2.794 20 0 GFADRO Clc1nc2cccnc2nc1N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164865492 721085744 /nfs/dbraw/zinc/08/57/44/721085744.db2.gz LTJCUPPRWFCXEF-HZPDHXFCSA-N 1 0 396.882 2.553 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4nnc(Cl)c5ccccc54)C[C@H]3C2)cn1 ZINC001164765328 721085952 /nfs/dbraw/zinc/08/59/52/721085952.db2.gz IYTPONSRAFLKMS-JKSUJKDBSA-N 1 0 382.899 2.975 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4nccc5c(Cl)ccnc54)C[C@@H]3C2)cn1 ZINC001164772051 721088883 /nfs/dbraw/zinc/08/88/83/721088883.db2.gz SYZQUNPTPJBILX-HOTGVXAUSA-N 1 0 382.899 2.975 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4nnc(Cl)c5c4CCCC5)C[C@H]3C2)cn1 ZINC001164762146 721119120 /nfs/dbraw/zinc/11/91/20/721119120.db2.gz CDCCLSLZWIAAGZ-HZPDHXFCSA-N 1 0 386.931 2.701 20 0 GFADRO FC(F)(c1nccnc1Cl)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164873624 721129348 /nfs/dbraw/zinc/12/93/48/721129348.db2.gz JITUMOWQKPZCBV-GJZGRUSLSA-N 1 0 395.841 2.550 20 0 GFADRO Cc1nnc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)c2ccccc12 ZINC001164879062 721139061 /nfs/dbraw/zinc/13/90/61/721139061.db2.gz RPAFZASWVLGJMV-OALUTQOASA-N 1 0 375.476 2.813 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4ncc5cc(Cl)ccc5n4)C[C@H]3C2)cn1 ZINC001164761735 721143119 /nfs/dbraw/zinc/14/31/19/721143119.db2.gz BALNPLBTSNEUND-NVXWUHKLSA-N 1 0 382.899 2.975 20 0 GFADRO Cc1cc2cccnc2c(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164876434 721171747 /nfs/dbraw/zinc/17/17/47/721171747.db2.gz MJLABILMSUAZMG-WOJBJXKFSA-N 1 0 375.476 2.813 20 0 GFADRO Cc1cc(N2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@H]3C2)nc(-c2ccncc2)n1 ZINC001164767592 721192386 /nfs/dbraw/zinc/19/23/86/721192386.db2.gz KCXAWKYMJMSKHE-PMACEKPBSA-N 1 0 389.507 2.539 20 0 GFADRO CCN1C(C)=N[C@@]2(CC[C@H]3CN(c4ccc(C[NH+]5CCCC5)cn4)C[C@H]32)C1=O ZINC001164874741 721231891 /nfs/dbraw/zinc/23/18/91/721231891.db2.gz SYXPEPPMSVQJFD-NNMXDRDESA-N 1 0 381.524 2.543 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4cncc(-c5ccc(F)cc5)n4)C[C@H]3C2)cn1 ZINC001164769699 721236201 /nfs/dbraw/zinc/23/62/01/721236201.db2.gz ZEAWFLVLCVCBKY-RTBURBONSA-N 1 0 392.482 2.975 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4nccc5c6c([nH]c54)CCC6)C[C@@H]3C2)cn1 ZINC001164766186 721237032 /nfs/dbraw/zinc/23/70/32/721237032.db2.gz STTMIUYUKNIYBN-IRXDYDNUSA-N 1 0 376.508 2.743 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4nc5c(nc4Cl)CCCC5)C[C@@H]3C2)cn1 ZINC001164766566 721243419 /nfs/dbraw/zinc/24/34/19/721243419.db2.gz UWMFMSUGFJYPJE-CVEARBPZSA-N 1 0 386.931 2.701 20 0 GFADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@H]3OCCN(c4cnccn4)[C@H]3C2)nc1 ZINC001164763742 721266149 /nfs/dbraw/zinc/26/61/49/721266149.db2.gz FWUPNDVQDZYMAA-HSALFYBXSA-N 1 0 394.523 2.513 20 0 GFADRO Cc1ccc2nc(N3CC[C@]4(C3)CCC[C@@H](C[NH+]3CCN(C)CC3)O4)ncc2c1 ZINC001164885118 721415827 /nfs/dbraw/zinc/41/58/27/721415827.db2.gz FPQRVIUEVARCGA-REWPJTCUSA-N 1 0 395.551 2.704 20 0 GFADRO Cc1cccc2ncnc(N3CC[C@@]4(C3)CCC[C@@H](C[NH+]3CCN(C)CC3)O4)c12 ZINC001164891410 721415840 /nfs/dbraw/zinc/41/58/40/721415840.db2.gz VZNQJFFJSOMIDV-WMZHIEFXSA-N 1 0 395.551 2.704 20 0 GFADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(Cl)ncn1)CC2 ZINC001164784328 721447952 /nfs/dbraw/zinc/44/79/52/721447952.db2.gz DSZPBIHZLDPXMO-QGZVFWFLSA-N 1 0 394.947 2.864 20 0 GFADRO CC(C)(c1ccnc(Cl)c1)[N@@H+]1C[C@H]2COC[C@@]2(CC(=O)NCC2CC2)C1 ZINC001164899665 721484995 /nfs/dbraw/zinc/48/49/95/721484995.db2.gz ZSLIPZMYGRKEHM-OXJNMPFZSA-N 1 0 377.916 2.835 20 0 GFADRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1cc3c(nn1)CCOC3)CC2 ZINC001164797042 721502715 /nfs/dbraw/zinc/50/27/15/721502715.db2.gz XWEUSNZYYZLTBT-UHFFFAOYSA-N 1 0 379.508 2.825 20 0 GFADRO Cc1cc(N2CCCC2)nc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)n1 ZINC001164900475 721508096 /nfs/dbraw/zinc/50/80/96/721508096.db2.gz REXGVWFTCCKXCC-QUCCMNQESA-N 1 0 397.498 2.866 20 0 GFADRO CCN(C)c1cc(C)nc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)n1 ZINC001164900539 721508189 /nfs/dbraw/zinc/50/81/89/721508189.db2.gz SAZUTEGSWFJLCG-HKUYNNGSSA-N 1 0 385.487 2.722 20 0 GFADRO Fc1cccc(O[C@@H]2C[C@@H]3CN(c4ccc(N5CCCCC5)nn4)CC[N@@H+]3C2)c1 ZINC001164899745 721509420 /nfs/dbraw/zinc/50/94/20/721509420.db2.gz MBVDSVVMJJUWOM-UYAOXDASSA-N 1 0 397.498 2.948 20 0 GFADRO Fc1cccc(O[C@H]2C[C@H]3CN(c4cncc(N5CCCCC5)n4)CC[N@@H+]3C2)c1 ZINC001164902652 721545663 /nfs/dbraw/zinc/54/56/63/721545663.db2.gz AUSHPFJKQXAWMY-ICSRJNTNSA-N 1 0 397.498 2.948 20 0 GFADRO CCOC(=O)c1cccc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)n1 ZINC001164803818 721545826 /nfs/dbraw/zinc/54/58/26/721545826.db2.gz JIJMGHQNPUDCGM-IRFCIJBXSA-N 1 0 396.491 2.522 20 0 GFADRO Cc1noc(-c2ccnc(N3CC[N@@H+]4C[C@H](Oc5cccc(F)c5)C[C@H]4C3)c2)n1 ZINC001164903087 721556473 /nfs/dbraw/zinc/55/64/73/721556473.db2.gz AFJSXMLWNPCWHZ-PKOBYXMFSA-N 1 0 395.438 2.921 20 0 GFADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nccc3cnccc32)[C@@H]2CCCO[C@H]12 ZINC001164798107 721565730 /nfs/dbraw/zinc/56/57/30/721565730.db2.gz ABBOECFFIOHRCI-NJYVYQBISA-N 1 0 375.476 2.893 20 0 GFADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3CN(CCOC)C(=O)[C@@H]3C2)nc1 ZINC001164900901 721576282 /nfs/dbraw/zinc/57/62/82/721576282.db2.gz AXCNMEPHCPRFRM-XUVXKRRUSA-N 1 0 386.540 2.560 20 0 GFADRO Cc1nc(CN2CCOC[C@]3(CN(c4ccc(C)c(C)[nH+]4)CCO3)C2)cs1 ZINC001164924838 721826444 /nfs/dbraw/zinc/82/64/44/721826444.db2.gz PFXHLAFLMPYTMO-HXUWFJFHSA-N 1 0 388.537 2.571 20 0 GFADRO Cc1cc(C(N)=O)cc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)n1 ZINC001165024518 721830191 /nfs/dbraw/zinc/83/01/91/721830191.db2.gz KJFKXWREQUKXOQ-VDGAXYAQSA-N 1 0 379.508 2.621 20 0 GFADRO C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2C(F)(F)c1nc(Cl)cc(Cl)n1 ZINC001164931812 721851116 /nfs/dbraw/zinc/85/11/16/721851116.db2.gz WKKXPXBICYLVTQ-MNOVXSKESA-N 1 0 380.270 2.543 20 0 GFADRO CN(C)CC[N@@H+]1CC[C@H]2[C@H]1CCN2c1nc(-c2ccncc2)nc2sccc21 ZINC001164934421 721886277 /nfs/dbraw/zinc/88/62/77/721886277.db2.gz RNGHVTCCZNUHNE-MSOLQXFVSA-N 1 0 394.548 2.968 20 0 GFADRO COc1cc2nc(Cl)nc(N3CC[NH+](C[C@@H]4CCCO4)CC3)c2cc1OC ZINC001165039307 721906576 /nfs/dbraw/zinc/90/65/76/721906576.db2.gz RDPQBCFUQYDVSD-ZDUSSCGKSA-N 1 0 392.887 2.601 20 0 GFADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4cncc(N(C)C)n4)CC3)C2)cc1 ZINC001164940363 721921825 /nfs/dbraw/zinc/92/18/25/721921825.db2.gz ZRPNDZIGFYRPGZ-UHFFFAOYSA-N 1 0 381.524 2.722 20 0 GFADRO CC1CCN(c2ccc(N3CC[NH+](CCOc4ccccc4)CC3)nn2)CC1 ZINC001165044995 721959957 /nfs/dbraw/zinc/95/99/57/721959957.db2.gz RRHZWAVTPFKSIM-UHFFFAOYSA-N 1 0 381.524 2.914 20 0 GFADRO CC[NH+](CC)C1CCN(c2nc3ccsc3c(N3CCOCC3)n2)CC1 ZINC001165051175 722000946 /nfs/dbraw/zinc/00/09/46/722000946.db2.gz DBFABHUQFQSGRU-UHFFFAOYSA-N 1 0 375.542 2.839 20 0 GFADRO COC(=O)c1ccc2cc(N3CC[NH+](CCc4ccccn4)CC3)ncc2c1 ZINC001165055055 722016793 /nfs/dbraw/zinc/01/67/93/722016793.db2.gz BDMLIQRFCUACAW-UHFFFAOYSA-N 1 0 376.460 2.781 20 0 GFADRO CNC(=O)c1nc(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)ccc1Cl ZINC001164956207 722019153 /nfs/dbraw/zinc/01/91/53/722019153.db2.gz YCFLWCGVBYMUIW-UHFFFAOYSA-N 1 0 399.926 2.982 20 0 GFADRO CCOC(=O)c1cnc(Cl)c(C)c1N1C[C@@H]2C[N@@H+](CC3CC3)C[C@H](C1)O2 ZINC001164967258 722072653 /nfs/dbraw/zinc/07/26/53/722072653.db2.gz LFXAERPMBLDWJR-GASCZTMLSA-N 1 0 379.888 2.520 20 0 GFADRO Clc1cnc(Cl)c(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164983098 722112947 /nfs/dbraw/zinc/11/29/47/722112947.db2.gz YFHUXZYKTWCVHL-LSDHHAIUSA-N 1 0 394.306 2.906 20 0 GFADRO Clc1nnc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c2occc21 ZINC001164977047 722129976 /nfs/dbraw/zinc/12/99/76/722129976.db2.gz IDQNXDPGIFOXOL-DOTOQJQBSA-N 1 0 399.882 2.999 20 0 GFADRO Cc1cc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)nc(C2CC2)n1 ZINC001164983325 722147029 /nfs/dbraw/zinc/14/70/29/722147029.db2.gz UDKRMKKRCCUUIB-VQTJNVASSA-N 1 0 379.508 2.785 20 0 GFADRO CC(C)COc1nccnc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164978873 722150561 /nfs/dbraw/zinc/15/05/61/722150561.db2.gz KDZUQQDSLPQACN-WOJBJXKFSA-N 1 0 397.523 2.634 20 0 GFADRO CCc1cc(CC)nc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164974610 722155395 /nfs/dbraw/zinc/15/53/95/722155395.db2.gz OHSWBQZQHLIFDY-RXVVDRJESA-N 1 0 381.524 2.724 20 0 GFADRO C[C@H]1C(=O)Nc2ncnc(N3CCC[C@@]4(CC[N@@H+]4Cc4cccc(F)c4)C3)c21 ZINC001164995447 722201770 /nfs/dbraw/zinc/20/17/70/722201770.db2.gz NSRDWMSIPORXGN-SPLOXXLWSA-N 1 0 381.455 2.916 20 0 GFADRO Cc1nc2ccccc2c(N2CCCn3cnc(COCC[NH+](C)C)c3C2)n1 ZINC001164999593 722251776 /nfs/dbraw/zinc/25/17/76/722251776.db2.gz DIIHPFZKUUTDNU-UHFFFAOYSA-N 1 0 380.496 2.623 20 0 GFADRO Cc1c([C@H]2[C@H](C[NH2+]Cc3nc4c(s3)C[C@@H](C)CC4)CC(=O)N2C)cnn1C ZINC000328640149 203766300 /nfs/dbraw/zinc/76/63/00/203766300.db2.gz XFIJWVDOSHEPAO-TVSHIAKJSA-N 1 0 387.553 2.619 20 0 GFADRO O=C(N[C@@H]1CC[NH2+]C12CCCC2)c1csc(I)c1 ZINC000401374315 563535240 /nfs/dbraw/zinc/53/52/40/563535240.db2.gz GXJCPPJLGQXOLR-SNVBAGLBSA-N 1 0 376.263 2.757 20 0 GFADRO C[C@@H]1CCCN(CC(=O)Nc2c(F)cc(F)cc2Br)[C@@H]1C[NH3+] ZINC000430556615 563545051 /nfs/dbraw/zinc/54/50/51/563545051.db2.gz LCAKLOKRDKWMGY-NOZJJQNGSA-N 1 0 376.245 2.725 20 0 GFADRO COc1ccc(C(=O)N[C@H](C)C[N@H+](C)C(C)C)c(I)c1 ZINC000290892266 563724676 /nfs/dbraw/zinc/72/46/76/563724676.db2.gz FYJOPMXMVRQISH-LLVKDONJSA-N 1 0 390.265 2.758 20 0 GFADRO COc1ccc(Br)cc1C[NH2+]CC1(CS(C)(=O)=O)CCC1 ZINC000414552647 563746637 /nfs/dbraw/zinc/74/66/37/563746637.db2.gz DLMXDIFNJNGEOC-UHFFFAOYSA-N 1 0 376.316 2.762 20 0 GFADRO CNC(=O)c1ccc(C[NH2+]C[C@@H](O)COc2cc(Cl)ccc2Cl)cc1 ZINC000028920280 551124992 /nfs/dbraw/zinc/12/49/92/551124992.db2.gz MBGQITNCHKPADB-OAHLLOKOSA-N 1 0 383.275 2.883 20 0 GFADRO CC(C)C[N@H+](CC(=O)NCC(=O)Nc1ccccc1Br)C(C)C ZINC000029724271 551127081 /nfs/dbraw/zinc/12/70/81/551127081.db2.gz ITCLZRWIWPRYTG-UHFFFAOYSA-N 1 0 384.318 2.870 20 0 GFADRO O=C(CCNC(=O)c1cccs1)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000032761616 551131726 /nfs/dbraw/zinc/13/17/26/551131726.db2.gz DIGSUEVXPIXASR-AWEZNQCLSA-N 1 0 377.535 2.883 20 0 GFADRO C[NH+](C)CC(C)(C)CNC(=O)CCNC(=O)Nc1ccc(Br)cc1 ZINC000042567947 551139472 /nfs/dbraw/zinc/13/94/72/551139472.db2.gz NQXNKLFJXRPTLF-UHFFFAOYSA-N 1 0 399.333 2.665 20 0 GFADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N(C)Cc2ccc(Br)o2)C1 ZINC000043821107 551142747 /nfs/dbraw/zinc/14/27/47/551142747.db2.gz GFUQDPMACFGCLE-CQSZACIVSA-N 1 0 388.306 2.540 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)N1CCN(Cc2ccsc2)CC1)c1ccsc1 ZINC000045658415 551147419 /nfs/dbraw/zinc/14/74/19/551147419.db2.gz LAPHNGUHRXRWDN-QGZVFWFLSA-N 1 0 378.567 2.940 20 0 GFADRO CCN(CC)C(=O)C[N@@H+]1CCCN(Cc2ccc(Br)cc2)CC1 ZINC000046531229 551151191 /nfs/dbraw/zinc/15/11/91/551151191.db2.gz MTSKLAHZBNHHCS-UHFFFAOYSA-N 1 0 382.346 2.825 20 0 GFADRO O=C(c1cccc(I)c1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000048551273 551156975 /nfs/dbraw/zinc/15/69/75/551156975.db2.gz YQZVAKAAZBZBEO-OAHLLOKOSA-N 1 0 384.261 2.992 20 0 GFADRO C[NH+]1CCN(c2cc(CNC(=O)NCc3ccc(Cl)s3)ccn2)CC1 ZINC000048871624 551157670 /nfs/dbraw/zinc/15/76/70/551157670.db2.gz OQEWTAFJCUXRCS-UHFFFAOYSA-N 1 0 379.917 2.548 20 0 GFADRO NC(=O)C1CC[NH+](CC(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)CC1 ZINC000051186156 551162493 /nfs/dbraw/zinc/16/24/93/551162493.db2.gz QTFHYGXXKISDJH-INIZCTEOSA-N 1 0 384.307 2.854 20 0 GFADRO CC(C)[NH+]1CCC(NC(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CC2)CC1 ZINC000053134001 551165769 /nfs/dbraw/zinc/16/57/69/551165769.db2.gz KIUAGWFOHQXJNM-UHFFFAOYSA-N 1 0 384.929 2.635 20 0 GFADRO C[NH+](C)C[C@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1Br ZINC000055295445 551172700 /nfs/dbraw/zinc/17/27/00/551172700.db2.gz ILHXWLJSMYXSLP-HNNXBMFYSA-N 1 0 397.338 2.900 20 0 GFADRO CC[NH+]1CCC(CNC(=O)c2ccc(F)cc2I)CC1 ZINC000057001587 551179193 /nfs/dbraw/zinc/17/91/93/551179193.db2.gz QWHNXMSNAWMEMU-UHFFFAOYSA-N 1 0 390.240 2.892 20 0 GFADRO C[NH+]1CCN(c2ncccc2CNC(=O)NCc2ccc(Cl)s2)CC1 ZINC000066891838 551187773 /nfs/dbraw/zinc/18/77/73/551187773.db2.gz KRVXTQQLGCVKQU-UHFFFAOYSA-N 1 0 379.917 2.548 20 0 GFADRO C[N@@H+](Cc1ccc(Cl)s1)C[C@H](O)Cn1c(=O)onc1-c1ccccc1 ZINC000067427754 551189019 /nfs/dbraw/zinc/18/90/19/551189019.db2.gz APHSLNHEVGRVRP-ZDUSSCGKSA-N 1 0 379.869 2.711 20 0 GFADRO CC[N@H+](CCc1nccs1)Cc1cc(Cl)c(OCC(N)=O)c(OC)c1 ZINC000093764500 551195707 /nfs/dbraw/zinc/19/57/07/551195707.db2.gz OIJNGZLHOGBBAF-UHFFFAOYSA-N 1 0 383.901 2.734 20 0 GFADRO CN(c1ccc(NC(=O)CSc2nncs2)cc1)C1CC[NH+](C)CC1 ZINC000097207901 551196084 /nfs/dbraw/zinc/19/60/84/551196084.db2.gz VXZBTZQIXCEBIX-UHFFFAOYSA-N 1 0 377.539 2.799 20 0 GFADRO CC[N@@H+]1CCCC[C@@H]1C(=O)NCc1cc(Br)c(OC)c(OC)c1 ZINC000104352858 551198356 /nfs/dbraw/zinc/19/83/56/551198356.db2.gz RPGGAOCRRNCWNS-CQSZACIVSA-N 1 0 385.302 2.957 20 0 GFADRO CC(C)C(=O)N1CCC[N@H+](CCC(=O)Nc2ccccc2Br)CC1 ZINC000112648646 551206592 /nfs/dbraw/zinc/20/65/92/551206592.db2.gz HBXYSTDIRUTRLF-UHFFFAOYSA-N 1 0 396.329 2.968 20 0 GFADRO COCC[N@@H+]1CCC[C@H]1CNS(=O)(=O)Cc1c(Cl)cccc1Cl ZINC000113288147 551207764 /nfs/dbraw/zinc/20/77/64/551207764.db2.gz IWHJZADYUNRXGB-LBPRGKRZSA-N 1 0 381.325 2.524 20 0 GFADRO C[N@@H+]1CCC[C@@H]1CCN1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000120399819 551221119 /nfs/dbraw/zinc/22/11/19/551221119.db2.gz SJWZURHTLOJXST-QGZVFWFLSA-N 1 0 380.330 2.691 20 0 GFADRO COc1cc(C(=O)N(C)[C@H]2CC[N@H+](C)C[C@H]2C)cc(OC)c1Br ZINC000120790694 551222122 /nfs/dbraw/zinc/22/21/22/551222122.db2.gz DWODQHOMAOTMLW-YPMHNXCESA-N 1 0 385.302 2.879 20 0 GFADRO CC[NH+](CC)CCCNC(=O)[C@@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000120987707 551224322 /nfs/dbraw/zinc/22/43/22/551224322.db2.gz KTNZYPIURWTCQK-CQSZACIVSA-N 1 0 396.329 2.650 20 0 GFADRO CCN(CCC[NH2+][C@@H](C)c1ccc(OC)c(Br)c1)S(C)(=O)=O ZINC000121557975 551236738 /nfs/dbraw/zinc/23/67/38/551236738.db2.gz QJEQZMSEULROBP-LBPRGKRZSA-N 1 0 393.347 2.780 20 0 GFADRO C[C@H](CNC(=O)[C@H](C)Oc1ccc(Cl)c(Cl)c1)C[NH+]1CCN(C)CC1 ZINC000121771398 551242275 /nfs/dbraw/zinc/24/22/75/551242275.db2.gz DSZSLVVJSXOUSJ-KGLIPLIRSA-N 1 0 388.339 2.760 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)c1cnn(-c2cccc(Br)c2)c1 ZINC000121853174 551244328 /nfs/dbraw/zinc/24/43/28/551244328.db2.gz QBRZFKVBDLTRJN-MLGOLLRUSA-N 1 0 377.286 2.977 20 0 GFADRO O=C(NCc1ccccc1C[N@H+]1CCC[C@H]1CO)c1cc(Br)c[nH]1 ZINC000121878643 551244931 /nfs/dbraw/zinc/24/49/31/551244931.db2.gz JXUAQGNBCLOCQW-INIZCTEOSA-N 1 0 392.297 2.664 20 0 GFADRO O=C(NC[C@@H]1CCCN(C(=O)c2cc(Cl)sc2Cl)C1)[C@@H]1CCC[NH2+]1 ZINC000122059039 551293553 /nfs/dbraw/zinc/29/35/53/551293553.db2.gz RPLFGJCTCMQIRV-JQWIXIFHSA-N 1 0 390.336 2.775 20 0 GFADRO Cc1ccc(NC(=O)C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)cc1Br ZINC000122089376 551294628 /nfs/dbraw/zinc/29/46/28/551294628.db2.gz JSHIOHVJAFRDCH-BBRMVZONSA-N 1 0 394.313 2.639 20 0 GFADRO CC[NH+]1CCN([C@@H]2CCN(CC(=O)Nc3ccc(Cl)cc3Cl)C2)CC1 ZINC000122735053 551301659 /nfs/dbraw/zinc/30/16/59/551301659.db2.gz VFJQYOCZYDEGGO-OAHLLOKOSA-N 1 0 385.339 2.644 20 0 GFADRO C[C@@H]1C[C@@H](N(C)C(=O)c2ccc(S(=O)(=O)C(F)(F)F)cc2)CC[N@@H+]1C ZINC000123320581 551305025 /nfs/dbraw/zinc/30/50/25/551305025.db2.gz AMADUGJXLWKRMC-YPMHNXCESA-N 1 0 378.416 2.535 20 0 GFADRO O=C(c1cc(F)c(F)cc1Br)N1CC[NH+](C2CCOCC2)CC1 ZINC000123852430 551309078 /nfs/dbraw/zinc/30/90/78/551309078.db2.gz OVYKHIVXRBKAGJ-UHFFFAOYSA-N 1 0 389.240 2.664 20 0 GFADRO Cc1cc(N2CCC[C@H]([NH2+][C@@H](C)CC(=O)N(C)C)C2=O)ccc1Br ZINC000124113524 551310468 /nfs/dbraw/zinc/31/04/68/551310468.db2.gz NAFLKNGZHAANPY-BBRMVZONSA-N 1 0 396.329 2.709 20 0 GFADRO O=C(c1cnccn1)N1CCC([NH2+]Cc2ccc(Br)cc2)CC1 ZINC000124649067 551316212 /nfs/dbraw/zinc/31/62/12/551316212.db2.gz PKGROESKBRHOCY-UHFFFAOYSA-N 1 0 375.270 2.634 20 0 GFADRO C[NH+](C)Cc1ccnc(NC(=O)Cc2ccccc2I)c1 ZINC000125698268 551322969 /nfs/dbraw/zinc/32/29/69/551322969.db2.gz ZBQAZVWUKXVOKK-UHFFFAOYSA-N 1 0 395.244 2.929 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)C(=O)Nc1ccc(C(F)(F)F)cc1Cl)C1CC1 ZINC000126324801 551328671 /nfs/dbraw/zinc/32/86/71/551328671.db2.gz PPAZOVDKGFSGSY-CYBMUJFWSA-N 1 0 377.794 2.754 20 0 GFADRO CN(C)S(=O)(=O)CCC[N@@H+]1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000126412582 551329568 /nfs/dbraw/zinc/32/95/68/551329568.db2.gz LPUUKKWTSSWPNW-CYBMUJFWSA-N 1 0 381.325 2.728 20 0 GFADRO O=C(NC[C@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1)c1cccc(Br)c1 ZINC000127133677 551337302 /nfs/dbraw/zinc/33/73/02/551337302.db2.gz JSXIDVYCCOMUBH-QZTJIDSGSA-N 1 0 389.293 2.814 20 0 GFADRO CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+]CC[S@](=O)C(C)(C)C)cc1 ZINC000127297561 551339782 /nfs/dbraw/zinc/33/97/82/551339782.db2.gz CSSGJUGLZHMJJF-IZHWHUGBSA-N 1 0 388.599 2.915 20 0 GFADRO C[NH+]1CCN(c2ccc(Cl)cc2NC(=O)CSc2nncs2)CC1 ZINC000127315546 551340149 /nfs/dbraw/zinc/34/01/49/551340149.db2.gz YCNHZAWBEAERHT-UHFFFAOYSA-N 1 0 383.930 2.674 20 0 GFADRO O=C(c1ccc(I)cc1)N1CCC([NH2+]CC2CC2)CC1 ZINC000127500889 551341600 /nfs/dbraw/zinc/34/16/00/551341600.db2.gz DCGVRIWEUYDHGC-UHFFFAOYSA-N 1 0 384.261 2.895 20 0 GFADRO CCCCN(C(=O)C[NH2+][C@H](C)c1cccc(Cl)c1)[C@H]1CCS(=O)(=O)C1 ZINC000128485520 551349433 /nfs/dbraw/zinc/34/94/33/551349433.db2.gz LEPOYUXWJKYUBH-PBHICJAKSA-N 1 0 386.945 2.806 20 0 GFADRO C[C@H](C[N@@H+]1CCCN(CC(=O)N(C)C)CC1)c1cccc(Br)c1 ZINC000129415443 551357153 /nfs/dbraw/zinc/35/71/53/551357153.db2.gz WPAVGLBXQJTPQS-OAHLLOKOSA-N 1 0 382.346 2.649 20 0 GFADRO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]C[C@@H](O)COCC1CC1 ZINC000129997635 551360863 /nfs/dbraw/zinc/36/08/63/551360863.db2.gz GQSFQPFWLCMWDT-MLGOLLRUSA-N 1 0 385.302 2.543 20 0 GFADRO COc1ccc(CC[NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)cc1S(N)(=O)=O ZINC000130321757 551363111 /nfs/dbraw/zinc/36/31/11/551363111.db2.gz MWBKDZBKZWGSKR-CHWSQXEVSA-N 1 0 380.432 2.596 20 0 GFADRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NS(=O)(=O)c1ccccc1OC(F)F ZINC000130477579 551365381 /nfs/dbraw/zinc/36/53/81/551365381.db2.gz OQPFONGTWAGJGS-MGPQQGTHSA-N 1 0 376.469 2.933 20 0 GFADRO C[NH+](C)CCNC(=O)c1cnn(-c2ncc(Cl)cc2Cl)c1C(F)(F)F ZINC000130716380 551368455 /nfs/dbraw/zinc/36/84/55/551368455.db2.gz YMHOBJUVFASSFF-UHFFFAOYSA-N 1 0 396.200 2.884 20 0 GFADRO CS(=O)(=O)N1CCC[C@@H](C[NH2+]C2(c3ccc(Br)cc3)CC2)C1 ZINC000131254089 551373321 /nfs/dbraw/zinc/37/33/21/551373321.db2.gz KNMFAJZMOONMHV-ZDUSSCGKSA-N 1 0 387.343 2.699 20 0 GFADRO Cc1c(Br)cccc1NC(=O)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000133168122 551382565 /nfs/dbraw/zinc/38/25/65/551382565.db2.gz JPFQNZKCNZVMDD-GFCCVEGCSA-N 1 0 384.318 2.789 20 0 GFADRO CO[C@H]1CCN(Cc2ncc(Br)cc2Br)[C@H](C[NH3+])C1 ZINC000135331423 551387169 /nfs/dbraw/zinc/38/71/69/551387169.db2.gz CQEQULJBDIKMRC-QWRGUYRKSA-N 1 0 393.123 2.545 20 0 GFADRO O=C(c1ccc(Br)c(F)c1)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000147895151 551398232 /nfs/dbraw/zinc/39/82/32/551398232.db2.gz GCWDJLQVYAJCBX-CQSZACIVSA-N 1 0 385.277 2.915 20 0 GFADRO COC1(C(=O)Nc2nc3ccc(OC(F)(F)F)cc3s2)CC[NH2+]CC1 ZINC000150796966 551401377 /nfs/dbraw/zinc/40/13/77/551401377.db2.gz STTHYHBJQNPNJB-UHFFFAOYSA-N 1 0 375.372 2.902 20 0 GFADRO CCO[C@@H](CC[NH+](C)C)CNS(=O)(=O)c1ccc(OC)c(Cl)c1Cl ZINC000150868543 551403155 /nfs/dbraw/zinc/40/31/55/551403155.db2.gz RFAHZOPTFMMTQT-NSHDSACASA-N 1 0 399.340 2.637 20 0 GFADRO COc1ccc(Br)cc1C(=O)CCC(=O)N(C)[C@@H]1CCC[N@H+](C)C1 ZINC000151145820 551408222 /nfs/dbraw/zinc/40/82/22/551408222.db2.gz UZIDDUVRWHBUJN-CQSZACIVSA-N 1 0 397.313 2.973 20 0 GFADRO C[C@H](Cn1cc(Br)cn1)[NH2+]Cc1ccccc1CN1CCCC1=O ZINC000151417279 551413445 /nfs/dbraw/zinc/41/34/45/551413445.db2.gz BQKXMBNYXJXCPZ-CQSZACIVSA-N 1 0 391.313 2.946 20 0 GFADRO C[C@@H](C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1)N1CCSCC1 ZINC000151848758 551422539 /nfs/dbraw/zinc/42/25/39/551422539.db2.gz CMBXVYBFBJPXLC-INIZCTEOSA-N 1 0 379.595 2.654 20 0 GFADRO C[C@H](C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1)N1CCSCC1 ZINC000151848844 551422554 /nfs/dbraw/zinc/42/25/54/551422554.db2.gz CMBXVYBFBJPXLC-MRXNPFEDSA-N 1 0 379.595 2.654 20 0 GFADRO CSCC[C@@H]([NH3+])C(=O)Nc1nc(-c2ccc(NC(C)=O)cc2F)cs1 ZINC000151967836 551423980 /nfs/dbraw/zinc/42/39/80/551423980.db2.gz SCGYXJJNYMANGP-CYBMUJFWSA-N 1 0 382.486 2.927 20 0 GFADRO CC(C)[NH2+]C1CCN(C(=O)Nc2ccc(NS(C)(=O)=O)c(Cl)c2)CC1 ZINC000152173203 551427848 /nfs/dbraw/zinc/42/78/48/551427848.db2.gz QHTDXJADORVNHT-UHFFFAOYSA-N 1 0 388.921 2.706 20 0 GFADRO COCCC[N@H+](C)CCNC(=O)Cc1c(C)[nH]c2ccc(Br)cc21 ZINC000152387533 551432076 /nfs/dbraw/zinc/43/20/76/551432076.db2.gz XJAHRHKMPVLMEH-UHFFFAOYSA-N 1 0 396.329 2.866 20 0 GFADRO COc1ccc(OCCN(C)[C@@H](C(N)=O)c2ccc(Br)cc2)cc1 ZINC000152658242 551437350 /nfs/dbraw/zinc/43/73/50/551437350.db2.gz PVHLWRIJHACZOO-QGZVFWFLSA-N 1 0 393.281 2.995 20 0 GFADRO CCCN(CC[NH+](C)C)C(=O)c1ccc(F)c(I)c1 ZINC000152668891 551437625 /nfs/dbraw/zinc/43/76/25/551437625.db2.gz FEYIAXULPDWERY-UHFFFAOYSA-N 1 0 378.229 2.844 20 0 GFADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)Nc1ccc(Cl)cc1Br ZINC000152859805 551441021 /nfs/dbraw/zinc/44/10/21/551441021.db2.gz CNRUJGJZRXBYDE-LLVKDONJSA-N 1 0 389.725 2.860 20 0 GFADRO O=C(NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1cc(Br)ccc1O ZINC000152927334 551443273 /nfs/dbraw/zinc/44/32/73/551443273.db2.gz PNKXNYFTVAFRFY-DOTOQJQBSA-N 1 0 397.313 2.652 20 0 GFADRO CCC[NH+]1CCC(N(C)C(=O)CNC(=O)c2cccc(Br)c2)CC1 ZINC000153193674 551448073 /nfs/dbraw/zinc/44/80/73/551448073.db2.gz UQWGRYCYVMQGSK-UHFFFAOYSA-N 1 0 396.329 2.512 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000153562034 551455353 /nfs/dbraw/zinc/45/53/53/551455353.db2.gz CBCIMPDTUGPQHY-QLFBSQMISA-N 1 0 384.567 2.560 20 0 GFADRO C[NH+](C)CCN(Cc1cccc(O)c1)C(=O)c1ccc(Br)cn1 ZINC000153593893 551456066 /nfs/dbraw/zinc/45/60/66/551456066.db2.gz WDBWEIQXXRZSFS-UHFFFAOYSA-N 1 0 378.270 2.754 20 0 GFADRO C[C@@H](Cn1cc(Br)cn1)[NH2+]C[C@@H](c1cccs1)N1CCOCC1 ZINC000153691455 551458507 /nfs/dbraw/zinc/45/85/07/551458507.db2.gz KACIVFWOBSTXNA-ZFWWWQNUSA-N 1 0 399.358 2.759 20 0 GFADRO Brc1cc2c(c(CN3CCC(C[NH+]4CCOCC4)CC3)c1)OCC2 ZINC000153740811 551459473 /nfs/dbraw/zinc/45/94/73/551459473.db2.gz JQEPMDSRHXAXJW-UHFFFAOYSA-N 1 0 395.341 2.928 20 0 GFADRO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)CCn1cc(Br)ccc1=O ZINC000154074404 551466816 /nfs/dbraw/zinc/46/68/16/551466816.db2.gz BOQSBTGITYHHBR-MRXNPFEDSA-N 1 0 398.345 2.628 20 0 GFADRO Cc1cc(C(=O)N2CC[C@@H]([NH3+])C[C@H]2C)nn1-c1ccc(Br)cc1 ZINC000154277541 551470786 /nfs/dbraw/zinc/47/07/86/551470786.db2.gz HXVRHEZSPWPWMT-BXUZGUMPSA-N 1 0 377.286 2.895 20 0 GFADRO Cc1ccc(Br)c(NC(=O)C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)c1 ZINC000154341213 551472679 /nfs/dbraw/zinc/47/26/79/551472679.db2.gz PBHRTRYAZDGHPU-CHWSQXEVSA-N 1 0 382.302 2.685 20 0 GFADRO C[N@H+](CC(=O)NCC1(c2cccc(Cl)c2)CCOCC1)[C@H]1CCSC1 ZINC000154864819 551484550 /nfs/dbraw/zinc/48/45/50/551484550.db2.gz UVAYGCSKGZHGAZ-KRWDZBQOSA-N 1 0 382.957 2.942 20 0 GFADRO C[C@@H](NC(=O)c1cc(=O)c2cc(Br)ccc2[nH]1)C(C)(C)C[NH+](C)C ZINC000155044337 551489815 /nfs/dbraw/zinc/48/98/15/551489815.db2.gz FQBFCHWYIKKQBP-LLVKDONJSA-N 1 0 394.313 2.997 20 0 GFADRO COc1ccc(Br)cc1CC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000155203642 551494163 /nfs/dbraw/zinc/49/41/63/551494163.db2.gz DOAJXRZUBLUIIP-BBRMVZONSA-N 1 0 381.314 2.943 20 0 GFADRO O=C(CC[NH2+]Cc1cc(Br)cc2c1OCC2)NCc1cccnc1 ZINC000155608143 551504206 /nfs/dbraw/zinc/50/42/06/551504206.db2.gz AZERIOISRNHSEV-UHFFFAOYSA-N 1 0 390.281 2.575 20 0 GFADRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)Nc1cc(F)c(F)cc1I ZINC000415225052 563762963 /nfs/dbraw/zinc/76/29/63/563762963.db2.gz BKFJSNKVYHFMMW-MADCSZMMSA-N 1 0 395.191 2.689 20 0 GFADRO CC(=O)N1CC[C@H](C[N@H+](C)C[C@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000156761814 551527803 /nfs/dbraw/zinc/52/78/03/551527803.db2.gz QEFRKQBKTXRAGL-HIFRSBDPSA-N 1 0 375.296 2.533 20 0 GFADRO CC(=O)N1CC[C@@H](C[N@H+](C)CCC(=O)Nc2ccccc2Br)C1 ZINC000156809033 551528585 /nfs/dbraw/zinc/52/85/85/551528585.db2.gz MJENMPMJVWMTMP-AWEZNQCLSA-N 1 0 382.302 2.578 20 0 GFADRO CCC[NH+]1CCC(N(C)S(=O)(=O)c2ccc(Cl)c(C(=O)OC)c2)CC1 ZINC000156811764 551528689 /nfs/dbraw/zinc/52/86/89/551528689.db2.gz RRGSKJDESMEDPY-UHFFFAOYSA-N 1 0 388.917 2.622 20 0 GFADRO CC[NH+](CC)[C@H](C)CNC(=O)NCC(=O)Nc1cc(Br)ccc1C ZINC000157234616 551535626 /nfs/dbraw/zinc/53/56/26/551535626.db2.gz XORYXBAZJXBRST-CYBMUJFWSA-N 1 0 399.333 2.726 20 0 GFADRO O=C(CN1CCC[C@@H]([NH+]2CCCC2)CC1)Nc1ccc(Br)cn1 ZINC000157407971 551537339 /nfs/dbraw/zinc/53/73/39/551537339.db2.gz VSKWPUVVNDPLJZ-OAHLLOKOSA-N 1 0 381.318 2.733 20 0 GFADRO C[N@H+](CCCO)C1CCN(c2ccnc3cc(Br)cnc32)CC1 ZINC000157590523 551540087 /nfs/dbraw/zinc/54/00/87/551540087.db2.gz XRTHUDFVFDJSCD-UHFFFAOYSA-N 1 0 379.302 2.675 20 0 GFADRO C[C@@H]1CN(C[C@H](O)C[NH2+]C2(c3ccc(Br)cc3)CCC2)C[C@H](C)O1 ZINC000157826070 551543340 /nfs/dbraw/zinc/54/33/40/551543340.db2.gz DEFACDYKZKYNON-RVKKMQEKSA-N 1 0 397.357 2.888 20 0 GFADRO CC[N@@H+]1CC[C@H](CNC(=O)c2cc(I)cc(C)c2C)C1 ZINC000158272436 551549675 /nfs/dbraw/zinc/54/96/75/551549675.db2.gz RUPWQWLQOWDVJH-CYBMUJFWSA-N 1 0 386.277 2.980 20 0 GFADRO CN(CC[NH2+]Cc1cc(F)cc2cccnc21)S(=O)(=O)c1cccs1 ZINC000158350079 551550369 /nfs/dbraw/zinc/55/03/69/551550369.db2.gz NMJUWCSCZGPZFP-UHFFFAOYSA-N 1 0 379.482 2.846 20 0 GFADRO CCCNC(=O)C[NH2+][C@H]1CCCOc2ccc(I)cc21 ZINC000158332510 551550645 /nfs/dbraw/zinc/55/06/45/551550645.db2.gz GHDHNYKFRZSHKA-ZDUSSCGKSA-N 1 0 388.249 2.621 20 0 GFADRO O=C(c1cc(=O)[nH]c2ccc(Br)cc21)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000158565375 551553688 /nfs/dbraw/zinc/55/36/88/551553688.db2.gz SZXHHUJYGAGLIU-QGZVFWFLSA-N 1 0 376.254 2.529 20 0 GFADRO CC[NH+](CC)Cc1cccc(CNC(=O)c2csc(S(C)(=O)=O)c2)c1 ZINC000159287426 551563061 /nfs/dbraw/zinc/56/30/61/551563061.db2.gz WUQSVKBAZQVWJB-UHFFFAOYSA-N 1 0 380.535 2.923 20 0 GFADRO CO[C@]1(C[NH2+]Cc2ncc(Br)cc2Br)CCOC1 ZINC000160101268 551575244 /nfs/dbraw/zinc/57/52/44/551575244.db2.gz AOUOKLFTGDZYOI-LBPRGKRZSA-N 1 0 380.080 2.502 20 0 GFADRO O=C(Nc1ccc(CCn2cc(Br)cn2)cc1)[C@@H]1CCC[NH2+]C1 ZINC000161801390 551598951 /nfs/dbraw/zinc/59/89/51/551598951.db2.gz MBXLUDXXPMGRCG-CQSZACIVSA-N 1 0 377.286 2.826 20 0 GFADRO CC[NH2+]CC1CCN(S(=O)(=O)c2ccc(Br)cc2F)CC1 ZINC000161929467 551600437 /nfs/dbraw/zinc/60/04/37/551600437.db2.gz WTUFVPYNEVDXDI-UHFFFAOYSA-N 1 0 379.295 2.598 20 0 GFADRO COc1ccc(OC)c(CC[NH2+][C@H](C(N)=O)c2cccc(Br)c2)c1 ZINC000161984607 551601653 /nfs/dbraw/zinc/60/16/53/551601653.db2.gz NNZQBTKNSXNZOI-KRWDZBQOSA-N 1 0 393.281 2.825 20 0 GFADRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)c2ccccc2I)C1 ZINC000162143342 551604384 /nfs/dbraw/zinc/60/43/84/551604384.db2.gz TWYAWIFFZLNYHY-ZDUSSCGKSA-N 1 0 386.277 2.999 20 0 GFADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@H](C)c3ccc(Br)cc3)C2)CC1 ZINC000162183850 551604829 /nfs/dbraw/zinc/60/48/29/551604829.db2.gz LPULERVFQBKVEM-CRAIPNDOSA-N 1 0 394.357 2.791 20 0 GFADRO CN1CCN(C(=O)Cc2csc(-c3ccc(Cl)cc3Cl)n2)[C@@H](C[NH3+])C1 ZINC000162562430 551609434 /nfs/dbraw/zinc/60/94/34/551609434.db2.gz VXBBTBRQRSKKBO-ZDUSSCGKSA-N 1 0 399.347 2.761 20 0 GFADRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)c2csc(S(C)(=O)=O)c2)C1 ZINC000162821339 551613056 /nfs/dbraw/zinc/61/30/56/551613056.db2.gz UNPWQPKTSBLWPV-GJZGRUSLSA-N 1 0 384.567 2.878 20 0 GFADRO C[C@@H](C(=O)N(C)C)[NH+]1CCC(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000163210109 551617782 /nfs/dbraw/zinc/61/77/82/551617782.db2.gz HPKOOQPSZREMFJ-LBPRGKRZSA-N 1 0 382.302 2.576 20 0 GFADRO COCCN1CCC[C@@H]1C[NH2+][C@@H](C)CC(=O)Nc1cccc(Br)c1 ZINC000163277457 551618487 /nfs/dbraw/zinc/61/84/87/551618487.db2.gz IWFVFZAZTTZKOE-WMLDXEAASA-N 1 0 398.345 2.867 20 0 GFADRO CN(CC1CCN(c2cc[nH+]cc2)CC1)S(=O)(=O)c1ccc(Cl)nc1 ZINC000165938453 551630428 /nfs/dbraw/zinc/63/04/28/551630428.db2.gz LHKGKUCSSKWURD-UHFFFAOYSA-N 1 0 380.901 2.667 20 0 GFADRO CC[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)[C@@H]2CC[NH2+]C2)CC1 ZINC000167616833 551633666 /nfs/dbraw/zinc/63/36/66/551633666.db2.gz VULWCCGIBVXDEO-WBVHZDCISA-N 1 0 380.330 2.654 20 0 GFADRO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]C2CCN(c3cccs3)CC2)c1 ZINC000168441663 551634588 /nfs/dbraw/zinc/63/45/88/551634588.db2.gz LSGYLDWUWBADSC-CQSZACIVSA-N 1 0 379.551 2.976 20 0 GFADRO NC(=O)CC[C@H]1CCC[N@H+](C[C@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000170734881 551638853 /nfs/dbraw/zinc/63/88/53/551638853.db2.gz YYECPIDHPHGYJI-OLZOCXBDSA-N 1 0 375.296 2.711 20 0 GFADRO COCCC[NH+]1CCC(NC(=O)Cc2ccc(F)c(Br)c2)CC1 ZINC000171122599 551647866 /nfs/dbraw/zinc/64/78/66/551647866.db2.gz VHHQFAMWXAXIAW-UHFFFAOYSA-N 1 0 387.293 2.748 20 0 GFADRO CCN(Cc1cc(Br)ccc1F)C(=O)NCC[N@H+](C)CCOC ZINC000171211026 551649561 /nfs/dbraw/zinc/64/95/61/551649561.db2.gz JSEYGZWFPQDRJI-UHFFFAOYSA-N 1 0 390.297 2.698 20 0 GFADRO COCCC[NH+]1CCC(NC(=O)NCc2ccccc2Br)CC1 ZINC000171203257 551649769 /nfs/dbraw/zinc/64/97/69/551649769.db2.gz DZPUEAKNPZFBNW-UHFFFAOYSA-N 1 0 384.318 2.749 20 0 GFADRO CCn1cc(Br)cc1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cn1 ZINC000171257446 551651378 /nfs/dbraw/zinc/65/13/78/551651378.db2.gz SFQXXUVNNFQWOJ-UHFFFAOYSA-N 1 0 392.301 2.670 20 0 GFADRO CC[N@@H+]1CC[C@H](CNC(=O)[C@@]23CCC(=O)N2c2cc(Cl)ccc2S3)C1 ZINC000171317624 551652659 /nfs/dbraw/zinc/65/26/59/551652659.db2.gz NXFMLLPDNQRTIV-XIKOKIGWSA-N 1 0 379.913 2.727 20 0 GFADRO O=C(NC1CC[NH+](Cc2ccncc2)CC1)c1ccc(Br)cn1 ZINC000171384568 551654426 /nfs/dbraw/zinc/65/44/26/551654426.db2.gz PVIFZZYBMLPZEE-UHFFFAOYSA-N 1 0 375.270 2.634 20 0 GFADRO O=S(=O)(NC1CC[NH+](CC2CC2)CC1)c1ccc(F)cc1C(F)(F)F ZINC000171420854 551655384 /nfs/dbraw/zinc/65/53/84/551655384.db2.gz YMKDQZIQICTDRC-UHFFFAOYSA-N 1 0 380.407 2.997 20 0 GFADRO CCOc1c(Br)cc(C(=O)N2CC[C@@H](C[NH+](C)C)C2)cc1OC ZINC000172169485 551671891 /nfs/dbraw/zinc/67/18/91/551671891.db2.gz CUKZDSQSVUKQCU-LBPRGKRZSA-N 1 0 385.302 2.880 20 0 GFADRO C[C@H](NC(=O)NCC1([NH+](C)C)CCOCC1)c1ccc(Br)cc1 ZINC000172219719 551673671 /nfs/dbraw/zinc/67/36/71/551673671.db2.gz HTEVMLDQMUBGID-ZDUSSCGKSA-N 1 0 384.318 2.920 20 0 GFADRO Brc1cc(CN2CC[NH+](CC3CCOCC3)CC2)cc2c1OCO2 ZINC000172423170 551678954 /nfs/dbraw/zinc/67/89/54/551678954.db2.gz BHONVENUCGBPDH-UHFFFAOYSA-N 1 0 397.313 2.722 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc3c(c(Br)c2)OCO3)[C@H](C)C1 ZINC000172611465 551682979 /nfs/dbraw/zinc/68/29/79/551682979.db2.gz QWMFEOGPUCXVGW-RISCZKNCSA-N 1 0 383.286 2.980 20 0 GFADRO COc1cc(I)ccc1NC(=O)N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000415771593 563795640 /nfs/dbraw/zinc/79/56/40/563795640.db2.gz IBFLSHSFEXCZNC-VHSXEESVSA-N 1 0 389.237 2.501 20 0 GFADRO CC[NH+]1CCN(CCCNC(=O)/C=C/c2cc(Br)cs2)CC1 ZINC000173474969 552086147 /nfs/dbraw/zinc/08/61/47/552086147.db2.gz KYXBRBTZFSSEGX-SNAWJCMRSA-N 1 0 386.359 2.668 20 0 GFADRO O=C(COc1cc(Cl)cc(Cl)c1)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000173599178 552088761 /nfs/dbraw/zinc/08/87/61/552088761.db2.gz VGMLGMPZSVSAEM-CYBMUJFWSA-N 1 0 387.307 2.989 20 0 GFADRO NC(=O)[C@@H](c1ccc(Br)cc1F)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000173598956 552088995 /nfs/dbraw/zinc/08/89/95/552088995.db2.gz JFSJXINNULSHKY-CXAGYDPISA-N 1 0 398.320 2.922 20 0 GFADRO CC[NH+](CC)C[C@@H]1CCN(C(=O)C(=O)Nc2cc(Br)ccc2C)C1 ZINC000173612768 552089412 /nfs/dbraw/zinc/08/94/12/552089412.db2.gz YBBURVWGALELLH-AWEZNQCLSA-N 1 0 396.329 2.886 20 0 GFADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)CNC(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000173816826 552092724 /nfs/dbraw/zinc/09/27/24/552092724.db2.gz KOORXICHZCMBJF-ZDUSSCGKSA-N 1 0 386.323 2.914 20 0 GFADRO CCC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2cccc(Br)c2)C1 ZINC000173953845 552095815 /nfs/dbraw/zinc/09/58/15/552095815.db2.gz QLQCJEABZZLEOU-ZDUSSCGKSA-N 1 0 375.332 2.802 20 0 GFADRO CC(C)OCC[NH+]1CCN(C[C@@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000173960818 552096007 /nfs/dbraw/zinc/09/60/07/552096007.db2.gz HKUOOHXLSGSTRH-MRXNPFEDSA-N 1 0 391.339 2.776 20 0 GFADRO CC[NH+](CC)CCSCC(=O)c1cc(C)n([C@@H]2CCS(=O)(=O)C2)c1C ZINC000174026922 552097003 /nfs/dbraw/zinc/09/70/03/552097003.db2.gz WHBPONVRTGVHIM-MRXNPFEDSA-N 1 0 386.583 2.722 20 0 GFADRO O[C@H](COc1cc(Cl)ccc1Cl)C[N@@H+]1CCC[C@@H]1CN1CCOCC1 ZINC000174021443 552097116 /nfs/dbraw/zinc/09/71/16/552097116.db2.gz QFQIQBHTVQVVGR-CVEARBPZSA-N 1 0 389.323 2.530 20 0 GFADRO O=C(NCCOc1cccc(Br)c1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000174194275 552101704 /nfs/dbraw/zinc/10/17/04/552101704.db2.gz MABJYJHVLOUZLZ-HNNXBMFYSA-N 1 0 396.329 2.955 20 0 GFADRO CCS[C@H]1CC[C@@H]([N@H+](C)CC(=O)N2CCN(Cc3cccs3)CC2)C1 ZINC000174342547 552103014 /nfs/dbraw/zinc/10/30/14/552103014.db2.gz FLRHPANWOPFYRY-SJORKVTESA-N 1 0 381.611 2.998 20 0 GFADRO C[C@H](CCNC(=O)c1c[nH]c(=O)c(Br)c1)[N@H+](C)Cc1ccccc1 ZINC000174410300 552103526 /nfs/dbraw/zinc/10/35/26/552103526.db2.gz KWWGAXAMTTZOFJ-CYBMUJFWSA-N 1 0 392.297 2.778 20 0 GFADRO COc1ccc(Br)cc1CNC(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000174457909 552104467 /nfs/dbraw/zinc/10/44/67/552104467.db2.gz QBFSGZXMDMZXQG-HNNXBMFYSA-N 1 0 380.286 2.613 20 0 GFADRO CC[N@H+](C)C[C@H]1CCN(C(=O)C[C@H]2Sc3ccc(Cl)cc3NC2=O)C1 ZINC000174487694 552105161 /nfs/dbraw/zinc/10/51/61/552105161.db2.gz IFQAYCIRQGREOB-MLGOLLRUSA-N 1 0 381.929 2.943 20 0 GFADRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)NCc1ccc(Br)cc1 ZINC000174781622 552109712 /nfs/dbraw/zinc/10/97/12/552109712.db2.gz PAKPTMDZERXMPP-MRXNPFEDSA-N 1 0 384.318 2.701 20 0 GFADRO CNC(=O)CC1CC[NH+](CC(=O)N(C)Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000175008174 552113492 /nfs/dbraw/zinc/11/34/92/552113492.db2.gz CTYSXFUKNSWWMM-UHFFFAOYSA-N 1 0 386.323 2.800 20 0 GFADRO CC(C)OCC[NH+]1CCC(NS(=O)(=O)c2ccc(Cl)cc2F)CC1 ZINC000175451645 552122167 /nfs/dbraw/zinc/12/21/67/552122167.db2.gz YHAQJUQOPYOIPZ-UHFFFAOYSA-N 1 0 378.897 2.647 20 0 GFADRO O=C(NCC[NH+]1CCCCC1)c1cc(=O)[nH]c2c(Br)cccc12 ZINC000175512290 552123317 /nfs/dbraw/zinc/12/33/17/552123317.db2.gz OFAITZJPOMNWME-UHFFFAOYSA-N 1 0 378.270 2.506 20 0 GFADRO C[S@@](=O)c1ccc(NC(=O)NCC2([NH+]3CCSCC3)CCCC2)cc1 ZINC000175732443 552127936 /nfs/dbraw/zinc/12/79/36/552127936.db2.gz RTLLWITVLZKFRP-RUZDIDTESA-N 1 0 381.567 2.907 20 0 GFADRO C[C@H](Oc1ccccc1Br)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000175858594 552130131 /nfs/dbraw/zinc/13/01/31/552130131.db2.gz CEOMWDRYMKMNOM-AWEZNQCLSA-N 1 0 397.313 2.540 20 0 GFADRO Cc1c(Br)cccc1NC(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000175941953 552132512 /nfs/dbraw/zinc/13/25/12/552132512.db2.gz HCWSLRTZKUGNDU-ZDUSSCGKSA-N 1 0 383.334 2.763 20 0 GFADRO CCn1cc(Br)cc1C(=O)N1CCCC[C@@H]([NH+]2CCN(C)CC2)C1 ZINC000175998402 552133747 /nfs/dbraw/zinc/13/37/47/552133747.db2.gz UIPZVKRTKLWIAW-MRXNPFEDSA-N 1 0 397.361 2.513 20 0 GFADRO CN1CCN(S(=O)(=O)c2cc(C(F)(F)F)ccc2F)c2c[nH+]ccc21 ZINC000176978327 552148111 /nfs/dbraw/zinc/14/81/11/552148111.db2.gz IGYCFKAMLQQQSN-UHFFFAOYSA-N 1 0 375.347 2.885 20 0 GFADRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1cc(=O)[nH]c2c(Br)cccc12 ZINC000177010756 552149248 /nfs/dbraw/zinc/14/92/48/552149248.db2.gz IDQWMYOKAYPASP-ABAIWWIYSA-N 1 0 392.297 2.703 20 0 GFADRO C[NH+](C)C1CCN(CCNC(=O)c2[nH]c3ccccc3c2Br)CC1 ZINC000177150776 552150602 /nfs/dbraw/zinc/15/06/02/552150602.db2.gz NBXPXKSTWNLTPM-UHFFFAOYSA-N 1 0 393.329 2.686 20 0 GFADRO CCC[NH+](CCC)CCCNC(=O)Nc1cc(Br)cn(C)c1=O ZINC000177976719 552162063 /nfs/dbraw/zinc/16/20/63/552162063.db2.gz NKTTZGJUZCKXBW-UHFFFAOYSA-N 1 0 387.322 2.781 20 0 GFADRO Cn1ncc2c1ncnc2N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000178076032 552163944 /nfs/dbraw/zinc/16/39/44/552163944.db2.gz OPECVRQTSPLTLM-UHFFFAOYSA-N 1 0 389.301 2.694 20 0 GFADRO CNS(=O)(=O)c1csc(C(=O)Nc2ccc(C[NH+]3CCCC3)cc2)c1 ZINC000178102183 552164052 /nfs/dbraw/zinc/16/40/52/552164052.db2.gz GDWPYLMOUFOAOS-UHFFFAOYSA-N 1 0 379.507 2.504 20 0 GFADRO C[C@H](Oc1cc(Cl)cc(Cl)c1)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000178104594 552164409 /nfs/dbraw/zinc/16/44/09/552164409.db2.gz RSOPPJXXRUIONI-UONOGXRCSA-N 1 0 387.307 2.941 20 0 GFADRO C[C@H](Cn1cc(Br)cn1)[NH2+][C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000178323613 552169008 /nfs/dbraw/zinc/16/90/08/552169008.db2.gz OSDGJJIHZSETHT-OLZOCXBDSA-N 1 0 375.274 2.966 20 0 GFADRO O=C(Cc1csc(-c2cc(Br)cs2)n1)N1CCC[NH2+]CC1 ZINC000178361120 552169704 /nfs/dbraw/zinc/16/97/04/552169704.db2.gz GDTYSBQTTPWHCO-UHFFFAOYSA-N 1 0 386.340 2.999 20 0 GFADRO COC(=O)c1ccc(Cl)cc1S(=O)(=O)NCC[NH+](C(C)C)C(C)C ZINC000178498779 552171310 /nfs/dbraw/zinc/17/13/10/552171310.db2.gz CAFDHLYWEZGWAV-UHFFFAOYSA-N 1 0 376.906 2.524 20 0 GFADRO [NH3+]C[C@@H](C(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1)c1ccccc1 ZINC000178687755 552173720 /nfs/dbraw/zinc/17/37/20/552173720.db2.gz QNIGOGYYBAWLHR-OAHLLOKOSA-N 1 0 379.291 2.780 20 0 GFADRO CCCN(C(=O)c1nnn(-c2cccc(Br)c2)c1C)[C@@H]1CC[NH2+]C1 ZINC000178892188 552178954 /nfs/dbraw/zinc/17/89/54/552178954.db2.gz BILLTAGVIBYUMW-OAHLLOKOSA-N 1 0 392.301 2.552 20 0 GFADRO CCCN(C(=O)c1cc(F)c(F)cc1I)[C@H]1CC[NH2+]C1 ZINC000178894827 552178969 /nfs/dbraw/zinc/17/89/69/552178969.db2.gz ZWSHHERVSHWWBW-VIFPVBQESA-N 1 0 394.203 2.784 20 0 GFADRO Cc1ccc(C(=O)N2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)c(Br)c1 ZINC000179058863 552183434 /nfs/dbraw/zinc/18/34/34/552183434.db2.gz AYERGQOPBKDMPJ-INIZCTEOSA-N 1 0 394.357 3.000 20 0 GFADRO COC(=O)C[C@H]1CCC[N@@H+]1CC(=O)N[C@@H](C)c1ccc(Br)cc1 ZINC000179124737 552184839 /nfs/dbraw/zinc/18/48/39/552184839.db2.gz KIWJUMYGSWIPMA-SWLSCSKDSA-N 1 0 383.286 2.654 20 0 GFADRO COCCO[C@@H]1CCC[N@H+](C[C@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000179335908 552190197 /nfs/dbraw/zinc/19/01/97/552190197.db2.gz XECNWZZESHAYMQ-UONOGXRCSA-N 1 0 378.296 2.861 20 0 GFADRO CC[C@H](CO)[NH+]1CCN(C(=O)C[C@@H](C)c2ccc(Br)cc2)CC1 ZINC000179402995 552192231 /nfs/dbraw/zinc/19/22/31/552192231.db2.gz LPXNDOLZOXBJPF-RHSMWYFYSA-N 1 0 383.330 2.858 20 0 GFADRO C[C@H]1C[N@@H+](C2CCN(C(=O)COc3ccccc3Br)CC2)CCO1 ZINC000179524839 552195447 /nfs/dbraw/zinc/19/54/47/552195447.db2.gz XOJWGSAEQVDRLM-AWEZNQCLSA-N 1 0 397.313 2.540 20 0 GFADRO Brc1ccc2ncc(CN3CC[NH+](CC4CCOCC4)CC3)n2c1 ZINC000179624238 552198082 /nfs/dbraw/zinc/19/80/82/552198082.db2.gz JWILQKBRNCTVDO-UHFFFAOYSA-N 1 0 393.329 2.641 20 0 GFADRO Cc1cc(Br)ccc1CC(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000180145571 552215030 /nfs/dbraw/zinc/21/50/30/552215030.db2.gz RUKSWQJHDJMZDD-GASCZTMLSA-N 1 0 383.330 2.916 20 0 GFADRO Cc1c([C@@H](C)[NH2+]CCS(=O)(=O)NC(C)C)cnn1-c1cccc(Cl)c1 ZINC000180466397 552227047 /nfs/dbraw/zinc/22/70/47/552227047.db2.gz GBZVJPSUAWDMLJ-CYBMUJFWSA-N 1 0 384.933 2.813 20 0 GFADRO Cc1ccc(-c2ncc(C[N@@H+](C)C3CCN(S(C)(=O)=O)CC3)s2)cc1 ZINC000180631375 552231742 /nfs/dbraw/zinc/23/17/42/552231742.db2.gz DRDBLWKPFPRRCC-UHFFFAOYSA-N 1 0 379.551 2.974 20 0 GFADRO CC(=O)N1CC[C@H](C[N@@H+](C)Cc2cc(Br)c3c(c2)OCCCO3)C1 ZINC000180823005 552236773 /nfs/dbraw/zinc/23/67/73/552236773.db2.gz VSBJOUUJJCVHMR-CQSZACIVSA-N 1 0 397.313 2.911 20 0 GFADRO C[C@@H]([NH2+][C@@H]1CC(=O)N(CCN2CCOCC2)C1)c1cc(Cl)ccc1Cl ZINC000181038444 552243697 /nfs/dbraw/zinc/24/36/97/552243697.db2.gz SKALNTXNICUAJJ-UKRRQHHQSA-N 1 0 386.323 2.577 20 0 GFADRO C[C@@H]([NH2+][C@H]1CC(=O)N(CCN2CCOCC2)C1)c1ccc(Cl)cc1Cl ZINC000181033079 552243866 /nfs/dbraw/zinc/24/38/66/552243866.db2.gz QJTKCVKBQGSASP-HIFRSBDPSA-N 1 0 386.323 2.577 20 0 GFADRO CS(=O)(=O)CCOCC[NH2+][C@@H]1CCCOc2c(Cl)c(Cl)ccc21 ZINC000181149063 552248340 /nfs/dbraw/zinc/24/83/40/552248340.db2.gz DDERMZQAEBFWCH-CYBMUJFWSA-N 1 0 382.309 2.858 20 0 GFADRO Brc1ccc(-c2nnc(CN[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)[nH]2)cc1 ZINC000181275864 552251893 /nfs/dbraw/zinc/25/18/93/552251893.db2.gz RYAZPIJVOGQNLM-HUUCEWRRSA-N 1 0 376.302 2.951 20 0 GFADRO CC1(CNC(=O)[C@@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)CC[NH2+]CC1 ZINC000181274977 552252036 /nfs/dbraw/zinc/25/20/36/552252036.db2.gz XBBGCFZJUHGDKG-ZDUSSCGKSA-N 1 0 384.307 2.852 20 0 GFADRO CN(CC[NH2+][C@H]1CSCCc2ccccc21)S(=O)(=O)c1cccs1 ZINC000181504134 552258917 /nfs/dbraw/zinc/25/89/17/552258917.db2.gz SMMGZTBQFVKXMP-INIZCTEOSA-N 1 0 382.576 2.989 20 0 GFADRO CCS(=O)(=O)N(C)CCC[NH2+][C@@H](C)c1ccc(OC)cc1Br ZINC000181507815 552259090 /nfs/dbraw/zinc/25/90/90/552259090.db2.gz MAQYEXNIVXYIAS-LBPRGKRZSA-N 1 0 393.347 2.780 20 0 GFADRO O=C([C@H]1CCC[N@@H+](CCCc2ccccc2Br)C1)N1CCOCC1 ZINC000181522671 552259511 /nfs/dbraw/zinc/25/95/11/552259511.db2.gz PSTFAJFBTPWDJM-KRWDZBQOSA-N 1 0 395.341 2.953 20 0 GFADRO C[C@@H](COc1ccc2cc(Br)ccc2c1)[NH2+]CC1(CO)COC1 ZINC000181542749 552260696 /nfs/dbraw/zinc/26/06/96/552260696.db2.gz HKKASXUPAHKCSL-ZDUSSCGKSA-N 1 0 380.282 2.968 20 0 GFADRO C[N@@H+]1CCCN(C(=O)Nc2cnc(Br)c(Br)c2)CC1 ZINC000181624584 552262991 /nfs/dbraw/zinc/26/29/91/552262991.db2.gz UVVFJFJOGCBSQC-UHFFFAOYSA-N 1 0 392.095 2.776 20 0 GFADRO Cc1ccc2c(c1)OCCC[C@H]2[NH2+]C[C@@H](O)CS(=O)(=O)c1cccs1 ZINC000181639313 552263314 /nfs/dbraw/zinc/26/33/14/552263314.db2.gz XVRFIFIFPPNKIZ-GDBMZVCRSA-N 1 0 381.519 2.695 20 0 GFADRO O=S(=O)(Cc1ccc(Cl)cc1Cl)NCCCC[N@H+]1CCC[C@H]1CO ZINC000181653268 552264399 /nfs/dbraw/zinc/26/43/99/552264399.db2.gz YUWAQNNSDOJLKH-HNNXBMFYSA-N 1 0 395.352 2.650 20 0 GFADRO COCc1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1ccc(OC)cc1Br)CC2 ZINC000182012413 552272827 /nfs/dbraw/zinc/27/28/27/552272827.db2.gz BUEZZZOXBJIMFK-NWDGAFQWSA-N 1 0 395.301 2.861 20 0 GFADRO CCO[C@@H]1C[C@@H]([NH2+]C[C@H](O)CS(=O)(=O)c2cccs2)C12CCCCC2 ZINC000182062470 552274548 /nfs/dbraw/zinc/27/45/48/552274548.db2.gz DLGQHPFZSBNSRQ-ARFHVFGLSA-N 1 0 387.567 2.600 20 0 GFADRO O=S(=O)(C[C@H](O)C[NH2+][C@@H]1CCCOc2cc(F)ccc21)c1cccs1 ZINC000182164569 552277137 /nfs/dbraw/zinc/27/71/37/552277137.db2.gz NMHDUIMDLMFEPW-UKRRQHHQSA-N 1 0 385.482 2.525 20 0 GFADRO CCOC(=O)COc1c(Br)cc(C)cc1C[NH2+][C@@H]1CCCOC1 ZINC000182276871 552280244 /nfs/dbraw/zinc/28/02/44/552280244.db2.gz COYILWWKKBCKRG-CQSZACIVSA-N 1 0 386.286 2.968 20 0 GFADRO Cc1cc(NC(=O)NC[C@@H](C(C)C)[NH+]2CCN(C)CC2)cnc1Br ZINC000182423842 552283776 /nfs/dbraw/zinc/28/37/76/552283776.db2.gz KOPUSGVVBWGHTA-HNNXBMFYSA-N 1 0 398.349 2.546 20 0 GFADRO CS(=O)(=O)[C@H]1CCCC[C@@H]1[NH2+]C[C@H](O)COc1cccc(Cl)c1Cl ZINC000182608704 552288945 /nfs/dbraw/zinc/28/89/45/552288945.db2.gz RYGRNHQGWMBRLI-WHOFXGATSA-N 1 0 396.336 2.679 20 0 GFADRO CS(=O)(=O)[C@@H]1CCCC[C@@H]1[NH2+]CCOc1cccc(Br)c1 ZINC000182653697 552290003 /nfs/dbraw/zinc/29/00/03/552290003.db2.gz QJBYFWXIRQASPD-LSDHHAIUSA-N 1 0 376.316 2.773 20 0 GFADRO CC[C@@H]([NH2+]Cc1cc(C(=O)OC)sc1C)c1cccc(S(N)(=O)=O)c1 ZINC000183032037 552298978 /nfs/dbraw/zinc/29/89/78/552298978.db2.gz XCRUUKHJPBVQFK-OAHLLOKOSA-N 1 0 382.507 2.731 20 0 GFADRO CCS(=O)(=O)C[C@@H](C)[NH2+][C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000183113613 552300877 /nfs/dbraw/zinc/30/08/77/552300877.db2.gz PDCHYEVEHIZANX-PWSUYJOCSA-N 1 0 399.866 2.745 20 0 GFADRO Cc1[nH]cc(C(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)c(=O)c1Br ZINC000183213237 552303359 /nfs/dbraw/zinc/30/33/59/552303359.db2.gz ZHIJXIOQDDQINL-CYBMUJFWSA-N 1 0 382.302 2.949 20 0 GFADRO Cc1c([C@@H](C)[NH2+]CCS(=O)(=O)c2cccc(Br)c2)cnn1C ZINC000183326401 552306033 /nfs/dbraw/zinc/30/60/33/552306033.db2.gz GPXFAIXINAYJRJ-LLVKDONJSA-N 1 0 386.315 2.616 20 0 GFADRO CC(C)(C[NH2+]Cc1cn(-c2ccc(Cl)c(Cl)c2)nn1)N1CCOCC1 ZINC000183394758 552307929 /nfs/dbraw/zinc/30/79/29/552307929.db2.gz FBILBBSHYGDDEO-UHFFFAOYSA-N 1 0 384.311 2.775 20 0 GFADRO CN(CCC[NH+](C)C)C(=O)Nc1cccc(F)c1I ZINC000183398704 552308030 /nfs/dbraw/zinc/30/80/30/552308030.db2.gz GKVZTEAWUVHONN-UHFFFAOYSA-N 1 0 379.217 2.846 20 0 GFADRO CNc1nnc(CC(=O)Nc2cc(C[NH+]3CCSCC3)ccc2C)s1 ZINC000183484587 552310720 /nfs/dbraw/zinc/31/07/20/552310720.db2.gz FTYBIBKAXWTNGE-UHFFFAOYSA-N 1 0 377.539 2.618 20 0 GFADRO Fc1ccc(CC[NH2+]Cc2cn(Cc3cccnc3)nn2)cc1Br ZINC000183560659 552313669 /nfs/dbraw/zinc/31/36/69/552313669.db2.gz KZWCJZOSVNEGKT-UHFFFAOYSA-N 1 0 390.260 2.955 20 0 GFADRO FC(F)(F)c1ccnc(NCC[NH2+]Cc2cncc(Br)c2)n1 ZINC000183715070 552317312 /nfs/dbraw/zinc/31/73/12/552317312.db2.gz HKLJDUFGHMMGGR-UHFFFAOYSA-N 1 0 376.180 2.855 20 0 GFADRO COCC[N@@H+]1CCC[C@H]1CNCc1cn(-c2ccc(Cl)c(Cl)c2)nn1 ZINC000183719869 552317646 /nfs/dbraw/zinc/31/76/46/552317646.db2.gz OYVOKHPNSVILAS-HNNXBMFYSA-N 1 0 384.311 2.775 20 0 GFADRO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]Cc1nnc2ccccn21 ZINC000183800421 552319863 /nfs/dbraw/zinc/31/98/63/552319863.db2.gz SAHMRIUFWWWHHW-GFCCVEGCSA-N 1 0 388.269 2.999 20 0 GFADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)c1cc2cc(Br)ccc2[nH]1 ZINC000184078391 552326723 /nfs/dbraw/zinc/32/67/23/552326723.db2.gz JYBBBGQMDJPGSK-CYBMUJFWSA-N 1 0 393.329 2.686 20 0 GFADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)c1c[nH]c2cccc(Br)c12 ZINC000184068531 552326979 /nfs/dbraw/zinc/32/69/79/552326979.db2.gz BMKNYSROWAONFG-CYBMUJFWSA-N 1 0 393.329 2.686 20 0 GFADRO CN1CC[NH+](CCC(C)(C)NC(=O)c2ccc(Br)c(F)c2)CC1 ZINC000184199724 552329030 /nfs/dbraw/zinc/32/90/30/552329030.db2.gz BNBCSGFFCFOEEL-UHFFFAOYSA-N 1 0 386.309 2.734 20 0 GFADRO Brc1cc2c(c(CN3CCN(CC[NH+]4CCCC4)CC3)c1)OCC2 ZINC000184831332 552345432 /nfs/dbraw/zinc/34/54/32/552345432.db2.gz KMDSIISRQBTXEG-UHFFFAOYSA-N 1 0 394.357 2.597 20 0 GFADRO CN(CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)Cc1ccc(Br)o1 ZINC000184935623 552348378 /nfs/dbraw/zinc/34/83/78/552348378.db2.gz XUCPJYALKFOCCW-MRXNPFEDSA-N 1 0 394.313 2.893 20 0 GFADRO Cc1ccc(S(=O)(=O)C[C@@H](C)[NH2+]C[C@@H]2CCN(CC(F)(F)F)C2)cc1 ZINC000185059264 552352246 /nfs/dbraw/zinc/35/22/46/552352246.db2.gz ONZSNTXGSJAHQY-CABCVRRESA-N 1 0 378.460 2.631 20 0 GFADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)NCCc1ccc(Cl)cc1Cl ZINC000185447995 552364160 /nfs/dbraw/zinc/36/41/60/552364160.db2.gz DCRQADSFBDYTGL-AWEZNQCLSA-N 1 0 387.355 2.861 20 0 GFADRO CC[NH+](CC)[C@@H]1CCN(S(=O)(=O)c2cc(Br)cc(OC)c2)C1 ZINC000185862708 552372678 /nfs/dbraw/zinc/37/26/78/552372678.db2.gz APVUOJDLAUVVQK-CYBMUJFWSA-N 1 0 391.331 2.563 20 0 GFADRO CN(CC[N@H+](C)C1CC1)Cc1nc(Cc2cccc(Br)c2)no1 ZINC000186779422 552397784 /nfs/dbraw/zinc/39/77/84/552397784.db2.gz PQWXKUURMJJZJI-UHFFFAOYSA-N 1 0 379.302 2.949 20 0 GFADRO Cc1c(C(=O)N[C@H]2C[NH2+]CC[C@H]2C)cnn1-c1cccc(Br)c1 ZINC000186881365 552400246 /nfs/dbraw/zinc/40/02/46/552400246.db2.gz ZIVNVHDJAQZYHV-BZNIZROVSA-N 1 0 377.286 2.671 20 0 GFADRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)CCOc1cccc(Br)c1 ZINC000186965999 552403214 /nfs/dbraw/zinc/40/32/14/552403214.db2.gz VPKOXZIRYLSBQN-AWEZNQCLSA-N 1 0 399.329 2.522 20 0 GFADRO COc1cnccc1[C@@H](C)[NH2+]C[C@H](O)COc1cccc(Br)c1 ZINC000187079428 552406117 /nfs/dbraw/zinc/40/61/17/552406117.db2.gz HUTIPZRMAPKSAM-OCCSQVGLSA-N 1 0 381.270 2.943 20 0 GFADRO CCO[C@H]1C[C@]([NH3+])(C(=O)NCCc2ccc(Br)s2)C1(C)C ZINC000187296092 552411657 /nfs/dbraw/zinc/41/16/57/552411657.db2.gz MFEWFZCWEZSFSP-NHYWBVRUSA-N 1 0 375.332 2.702 20 0 GFADRO COC(=O)C[C@@H](NC(=O)c1coc(C[NH3+])c1)c1ccc(Br)cc1 ZINC000187396298 552414350 /nfs/dbraw/zinc/41/43/50/552414350.db2.gz KDUOSXYMSXANJN-CQSZACIVSA-N 1 0 381.226 2.535 20 0 GFADRO CCO[C@H]1C[C@@]([NH3+])(C(=O)NCCc2ccc(F)c(Br)c2)C1(C)C ZINC000187470766 552416406 /nfs/dbraw/zinc/41/64/06/552416406.db2.gz AXNZECGSNNXNNQ-WMLDXEAASA-N 1 0 387.293 2.779 20 0 GFADRO C[N@H+](CCCO)C1CCN(S(=O)(=O)c2ccc(Cl)c(F)c2Cl)CC1 ZINC000188040414 552432075 /nfs/dbraw/zinc/43/20/75/552432075.db2.gz ZAQLPOKXROOBJE-UHFFFAOYSA-N 1 0 399.315 2.600 20 0 GFADRO CN(CC1([NH+](C)C)CCC1)C(=O)CSc1nnc(-c2cccs2)n1C ZINC000188063351 552433755 /nfs/dbraw/zinc/43/37/55/552433755.db2.gz LHZOFVLDXKQUNG-UHFFFAOYSA-N 1 0 379.555 2.578 20 0 GFADRO Cc1cc(C2CC[NH+](CCCC(=O)NC(N)=O)CC2)ccc1Br ZINC000188196807 552438480 /nfs/dbraw/zinc/43/84/80/552438480.db2.gz RPBPPAGWHVWPTK-UHFFFAOYSA-N 1 0 382.302 2.912 20 0 GFADRO Cc1cc(C2CC[NH+](CCCN3C(=O)CNC3=O)CC2)ccc1Br ZINC000188200032 552438544 /nfs/dbraw/zinc/43/85/44/552438544.db2.gz LJQSCUHCCJQLOO-UHFFFAOYSA-N 1 0 394.313 2.879 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)C(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000188214053 552439325 /nfs/dbraw/zinc/43/93/25/552439325.db2.gz ZXBCZFOOYADFNA-UHFFFAOYSA-N 1 0 382.302 2.639 20 0 GFADRO CC[NH+]1CCN(CCCNC(=O)c2c[nH]nc2-c2ccc(Cl)s2)CC1 ZINC000188234001 552440100 /nfs/dbraw/zinc/44/01/00/552440100.db2.gz KCNRUDVYFSBKLA-UHFFFAOYSA-N 1 0 381.933 2.549 20 0 GFADRO Cc1cc(NC(=O)C(=O)N(C)CC2([NH+](C)C)CCC2)ccc1Br ZINC000188245242 552440140 /nfs/dbraw/zinc/44/01/40/552440140.db2.gz ZRIVEGAAYLGCHH-UHFFFAOYSA-N 1 0 382.302 2.639 20 0 GFADRO C[C@]1(c2ccccc2)CC[C@@H]([NH2+]C[C@H](O)CS(=O)(=O)c2cccs2)C1 ZINC000188264931 552440779 /nfs/dbraw/zinc/44/07/79/552440779.db2.gz DZSPMKOVUBHYHZ-AOIWGVFYSA-N 1 0 379.547 2.983 20 0 GFADRO C[C@H](Cc1ccc(Br)cc1)[NH2+][C@@H]1CCCN(c2ccn(C)n2)C1=O ZINC000188298048 552441518 /nfs/dbraw/zinc/44/15/18/552441518.db2.gz GUZGOTFSLWCQDW-CZUORRHYSA-N 1 0 391.313 2.899 20 0 GFADRO Cc1c(C(=O)N2CC[NH+]3CCC2CC3)cnn1-c1ccc(Br)cc1 ZINC000188622472 552450333 /nfs/dbraw/zinc/45/03/33/552450333.db2.gz UPVMTMDOUQVHEV-UHFFFAOYSA-N 1 0 389.297 2.863 20 0 GFADRO COc1cc(Cl)c(Cl)cc1C(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000188619756 552450350 /nfs/dbraw/zinc/45/03/50/552450350.db2.gz OWKBCTJQIGHLRW-LLVKDONJSA-N 1 0 375.296 2.919 20 0 GFADRO Brc1ccc(C[NH2+]CCCn2ccnc2)c(N2CCOCC2)c1 ZINC000188687016 552451909 /nfs/dbraw/zinc/45/19/09/552451909.db2.gz SNFXZMFEXGDHAZ-UHFFFAOYSA-N 1 0 379.302 2.662 20 0 GFADRO Cc1cc(C(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)c(C)cc1Br ZINC000188722533 552453162 /nfs/dbraw/zinc/45/31/62/552453162.db2.gz YXMRNFHGAAJZGQ-CQSZACIVSA-N 1 0 383.330 2.983 20 0 GFADRO O[C@@H]1CCC[C@@H](C[NH2+]Cc2ccc(Br)cc2N2CCOCC2)C1 ZINC000188744152 552454052 /nfs/dbraw/zinc/45/40/52/552454052.db2.gz AUNJEECSHIEYDC-RHSMWYFYSA-N 1 0 383.330 2.926 20 0 GFADRO COCC[NH+]1CCC(NC(=O)Nc2cc(Br)c(F)cc2F)CC1 ZINC000189139195 552463950 /nfs/dbraw/zinc/46/39/50/552463950.db2.gz KRTXCXVUMDABBO-UHFFFAOYSA-N 1 0 392.244 2.960 20 0 GFADRO Fc1cc(Br)cc(OCC[N@@H+]2CCC[C@@H](Cn3ccnn3)C2)c1 ZINC000189264972 552466854 /nfs/dbraw/zinc/46/68/54/552466854.db2.gz DEVJBLOPOSXGRZ-CYBMUJFWSA-N 1 0 383.265 2.971 20 0 GFADRO O=C(NCC[N@@H+]1CCCOCC1)c1cc2c(cc(Br)cc2F)[nH]1 ZINC000189388939 552470320 /nfs/dbraw/zinc/47/03/20/552470320.db2.gz WOIPRMQMOZNQNK-UHFFFAOYSA-N 1 0 384.249 2.522 20 0 GFADRO O=C(CCCCOc1ccc(Br)cc1)NCC[N@@H+]1CCCOCC1 ZINC000189457892 552471818 /nfs/dbraw/zinc/47/18/18/552471818.db2.gz GITZKLLLVSPTSY-UHFFFAOYSA-N 1 0 399.329 2.837 20 0 GFADRO CC(C)OCC[NH+]1CCC(NC(=O)c2ncc(Br)s2)CC1 ZINC000189471675 552472430 /nfs/dbraw/zinc/47/24/30/552472430.db2.gz YDKXXKDLRAZNRB-UHFFFAOYSA-N 1 0 376.320 2.525 20 0 GFADRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C[C@H](O)COc1cc(Cl)ccc1Cl ZINC000189470629 552472610 /nfs/dbraw/zinc/47/26/10/552472610.db2.gz QYTJOSNPGKVFRS-HIFRSBDPSA-N 1 0 391.339 2.510 20 0 GFADRO C[C@@H](O)C[N@@H+]1CCN(Cc2ccc(Br)c3cccnc23)[C@H](C)C1 ZINC000189543554 552474207 /nfs/dbraw/zinc/47/42/07/552474207.db2.gz KQSONZSKYCVOOV-ZIAGYGMSSA-N 1 0 378.314 2.884 20 0 GFADRO CN(Cc1cccc(Br)c1OC[C@H]1CCCO1)C(=O)C[NH+](C)C ZINC000189580997 552475264 /nfs/dbraw/zinc/47/52/64/552475264.db2.gz AURHITCNUYDYTQ-CQSZACIVSA-N 1 0 385.302 2.527 20 0 GFADRO Cc1cc(F)c(Br)cc1S(=O)(=O)N(C)C1CC[NH+](C)CC1 ZINC000189783364 552479747 /nfs/dbraw/zinc/47/97/47/552479747.db2.gz SHVPYITXMCIIFD-UHFFFAOYSA-N 1 0 379.295 2.611 20 0 GFADRO C[C@H](CNC(=O)Nc1ccc(Cl)c(S(C)(=O)=O)c1)N1CCC(C)CC1 ZINC000189877996 552481595 /nfs/dbraw/zinc/48/15/95/552481595.db2.gz KQIOGNJDTDCPJM-CYBMUJFWSA-N 1 0 387.933 2.985 20 0 GFADRO Cc1cc(F)c(Br)cc1S(=O)(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000189958220 552483852 /nfs/dbraw/zinc/48/38/52/552483852.db2.gz NJHRNKXNWFLXBV-NSHDSACASA-N 1 0 379.295 2.517 20 0 GFADRO CCO[C@H]1C[C@](CO)([NH2+]CC(=O)Nc2ccc(C)cc2Br)C1(C)C ZINC000190020276 552485574 /nfs/dbraw/zinc/48/55/74/552485574.db2.gz HCINIYCGJMLZNQ-MAUKXSAKSA-N 1 0 399.329 2.852 20 0 GFADRO O=C(c1c[nH]nc1-c1ccc(Cl)s1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000190112768 552487601 /nfs/dbraw/zinc/48/76/01/552487601.db2.gz XHVIRMYLIGRDFA-LBPRGKRZSA-N 1 0 380.901 2.586 20 0 GFADRO C[C@H]1CSCC[N@H+](CC(=O)Nc2cccc(I)c2)C1 ZINC000190451177 552497218 /nfs/dbraw/zinc/49/72/18/552497218.db2.gz SLXVKYZEXFSYCW-LLVKDONJSA-N 1 0 390.290 2.915 20 0 GFADRO C[NH+]1CCC(CCNC(=O)C(=O)Nc2cc(Cl)c(F)c(Cl)c2)CC1 ZINC000190522995 552499907 /nfs/dbraw/zinc/49/99/07/552499907.db2.gz JDTBISOZMPNYJL-UHFFFAOYSA-N 1 0 376.259 2.919 20 0 GFADRO Cc1cc(NC(=O)C(=O)N2CCC([NH2+]C(C)C)CC2)cc(C)c1Br ZINC000190687926 552505797 /nfs/dbraw/zinc/50/57/97/552505797.db2.gz KZYFYWIJMFPXRX-UHFFFAOYSA-N 1 0 396.329 2.993 20 0 GFADRO CC[C@@H]([NH2+]CC1CN(S(=O)(=O)CC)C1)c1cccc(Br)c1 ZINC000190676481 552505804 /nfs/dbraw/zinc/50/58/04/552505804.db2.gz FIGGRBBWCOIGFS-OAHLLOKOSA-N 1 0 375.332 2.771 20 0 GFADRO CCCN(CCC[NH+](C)C)C(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000191004982 552516195 /nfs/dbraw/zinc/51/61/95/552516195.db2.gz RMTOUWMMADDMCI-UHFFFAOYSA-N 1 0 377.457 2.879 20 0 GFADRO C[NH+]1CCN(Cc2ccc(NC(=O)c3cccnc3)cc2Br)CC1 ZINC000191084471 552518540 /nfs/dbraw/zinc/51/85/40/552518540.db2.gz VIUQPUHRVLKEIQ-UHFFFAOYSA-N 1 0 389.297 2.844 20 0 GFADRO CCOC(=O)c1csc([C@H]2CCCN2CCCNC(=O)C(F)(F)F)n1 ZINC000191459891 552529205 /nfs/dbraw/zinc/52/92/05/552529205.db2.gz NFCIFWYMJHLEMN-LLVKDONJSA-N 1 0 379.404 2.525 20 0 GFADRO O=C(NCC1CC[NH+](CCO)CC1)Nc1cccc(Cl)c1Br ZINC000191710982 552535697 /nfs/dbraw/zinc/53/56/97/552535697.db2.gz USPIOKZWJQCSES-UHFFFAOYSA-N 1 0 390.709 2.928 20 0 GFADRO Cc1cc(F)c(Br)cc1NC(=O)C(=O)NCC(C)(C)C[NH+](C)C ZINC000191968646 552544287 /nfs/dbraw/zinc/54/42/87/552544287.db2.gz OSYHESXAZQBBFU-UHFFFAOYSA-N 1 0 388.281 2.539 20 0 GFADRO CCC[N@H+](CC)CCNC(=O)C(=O)Nc1cc(Cl)c(Cl)cc1OC ZINC000192069360 552548989 /nfs/dbraw/zinc/54/89/89/552548989.db2.gz XINCWCGPHKWYAK-UHFFFAOYSA-N 1 0 376.284 2.789 20 0 GFADRO O=C1[C@H](N2CC[C@H]([NH+]3CCCC3)C2)CCN1c1cccc(Br)c1 ZINC000192072539 552549129 /nfs/dbraw/zinc/54/91/29/552549129.db2.gz QJKNEIOSVMBDON-DLBZAZTESA-N 1 0 378.314 2.725 20 0 GFADRO O=C(NCCCC[N@H+]1CCC[C@H]1CO)c1cc(Br)c(F)cc1F ZINC000192180390 552554494 /nfs/dbraw/zinc/55/44/94/552554494.db2.gz FHENRUVUNKUPCJ-NSHDSACASA-N 1 0 391.256 2.694 20 0 GFADRO COC(=O)c1cccc(NC(=O)N2CC[NH+](C(C)C)CC2)c1Br ZINC000192423584 552563147 /nfs/dbraw/zinc/56/31/47/552563147.db2.gz ZBCZDGZCAYRPOR-UHFFFAOYSA-N 1 0 384.274 2.794 20 0 GFADRO COc1cccc2c1CC[C@H]([NH2+]CCN(C)S(=O)(=O)c1cccs1)C2 ZINC000192445903 552564141 /nfs/dbraw/zinc/56/41/41/552564141.db2.gz XGKRDWMCEXEBHS-HNNXBMFYSA-N 1 0 380.535 2.524 20 0 GFADRO C[N@H+]1C[C@H]2CN(C(=O)CSc3nnc(-c4ccc(Cl)cc4)o3)C[C@H]2C1 ZINC000192532433 552566401 /nfs/dbraw/zinc/56/64/01/552566401.db2.gz CIOQUMNXOUYKBD-BETUJISGSA-N 1 0 378.885 2.502 20 0 GFADRO COc1cc(Cl)c(S(=O)(=O)N2CCC([NH+]3CCCC3)CC2)cc1OC ZINC000192808945 552973774 /nfs/dbraw/zinc/97/37/74/552973774.db2.gz WDCZNUCWHWMOQO-UHFFFAOYSA-N 1 0 388.917 2.606 20 0 GFADRO CC[NH+](CC)CCCNC(=O)C(=O)Nc1cc2c(cc1Br)CCC2 ZINC000192811528 552974667 /nfs/dbraw/zinc/97/46/67/552974667.db2.gz NIVATOXSINGJDZ-UHFFFAOYSA-N 1 0 396.329 2.724 20 0 GFADRO O=C(NCCc1cc(Br)ccc1F)[C@H]1COCCN1C1CCCC1 ZINC000192915782 552977812 /nfs/dbraw/zinc/97/78/12/552977812.db2.gz FJSJHVFHUOHIOC-QGZVFWFLSA-N 1 0 399.304 2.890 20 0 GFADRO O=S(=O)(c1ccc(C[NH2+]Cc2sccc2Cl)cc1)N1CCOCC1 ZINC000192983249 552979838 /nfs/dbraw/zinc/97/98/38/552979838.db2.gz CFVDLNKVZUWEOF-UHFFFAOYSA-N 1 0 386.926 2.712 20 0 GFADRO CC(=O)Nc1cc(F)c(S(=O)(=O)N[C@]2(C[NH3+])CCCC[C@H]2C)cc1Cl ZINC000193039463 552981245 /nfs/dbraw/zinc/98/12/45/552981245.db2.gz VQURRBXXNSGECQ-HWPZZCPQSA-N 1 0 391.896 2.623 20 0 GFADRO CCC([NH3+])(CC)CNS(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC000193299089 552989644 /nfs/dbraw/zinc/98/96/44/552989644.db2.gz OIHGTCHVJWDSKR-ZDUSSCGKSA-N 1 0 390.933 2.551 20 0 GFADRO C[C@H](C(=O)Nc1cccc(Cl)c1)S(=O)(=O)Cc1cn2ccccc2n1 ZINC000193313463 552989974 /nfs/dbraw/zinc/98/99/74/552989974.db2.gz IRDWWTIEQLNCSR-GFCCVEGCSA-N 1 0 377.853 2.930 20 0 GFADRO COc1cc(Cl)c(S(=O)(=O)N[C@@]2(C[NH3+])CCCC[C@H]2C)cc1OC ZINC000193319412 552990223 /nfs/dbraw/zinc/99/02/23/552990223.db2.gz JAVCSNACOLYSNU-BDJLRTHQSA-N 1 0 376.906 2.543 20 0 GFADRO C[C@H]1CCNC(=O)[C@H]1[NH2+]Cc1ccnc(-c2ccc(Br)cc2)n1 ZINC000193586446 552997676 /nfs/dbraw/zinc/99/76/76/552997676.db2.gz TWAMXMQDBLWXST-NHYWBVRUSA-N 1 0 375.270 2.520 20 0 GFADRO CCCOc1c(Br)cc(C[NH2+][C@H]2C(=O)NCC[C@@H]2C)cc1OC ZINC000193682677 552999787 /nfs/dbraw/zinc/99/97/87/552999787.db2.gz DGUHVCRVRCAFKT-XHDPSFHLSA-N 1 0 385.302 2.861 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000193705315 553000778 /nfs/dbraw/zinc/00/07/78/553000778.db2.gz POZQXETWVNJKAR-UHFFFAOYSA-N 1 0 394.313 2.687 20 0 GFADRO C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@@H](C)CN1CCCC1=O ZINC000194067115 553010951 /nfs/dbraw/zinc/01/09/51/553010951.db2.gz JZZLAGLPQNEGIG-STQMWFEESA-N 1 0 382.302 2.767 20 0 GFADRO CC[NH+](CC)CCC[C@@H](C)NC(=O)CNC(=O)c1ccc(Br)cc1 ZINC000194128411 553012310 /nfs/dbraw/zinc/01/23/10/553012310.db2.gz NUHWUUZAKZAYKP-CQSZACIVSA-N 1 0 398.345 2.806 20 0 GFADRO C[C@H](CNC(=O)NCC(=O)Nc1cc(Cl)ccc1Cl)C[NH+]1CCCC1 ZINC000194246976 553015392 /nfs/dbraw/zinc/01/53/92/553015392.db2.gz BJUXEVSMJCTXPM-GFCCVEGCSA-N 1 0 387.311 2.963 20 0 GFADRO Cc1cnc(N2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c(Br)c1 ZINC000194325200 553017818 /nfs/dbraw/zinc/01/78/18/553017818.db2.gz YRLHNDIBJBGVLW-XYPWUTKMSA-N 1 0 379.346 2.900 20 0 GFADRO C=Cn1cc(C[NH2+][C@@H]2CCN(c3ccc(Br)c(C)c3)C2=O)cn1 ZINC000194419111 553020195 /nfs/dbraw/zinc/02/01/95/553020195.db2.gz XFWVZJOMSDVVQV-MRXNPFEDSA-N 1 0 375.270 2.950 20 0 GFADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@@H]3Cc4cc(Br)ccc4O3)CC[C@@H]21 ZINC000194467933 553021220 /nfs/dbraw/zinc/02/12/20/553021220.db2.gz DWCKIMKQXLVCOA-PVUWLOKVSA-N 1 0 379.298 2.695 20 0 GFADRO CCOCCOc1ccc(Br)cc1CN1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000194536464 553023576 /nfs/dbraw/zinc/02/35/76/553023576.db2.gz QOKJHZUARGGCTP-IYBDPMFKSA-N 1 0 383.330 2.858 20 0 GFADRO Cc1ccc(S(=O)(=O)Nc2cc(C(N)=O)ccc2C[NH+](C)C)cc1Cl ZINC000194591641 553024724 /nfs/dbraw/zinc/02/47/24/553024724.db2.gz RNBJCBRRKFLFPV-UHFFFAOYSA-N 1 0 381.885 2.610 20 0 GFADRO CC(C)[NH+]1CCC(NC(=O)Cc2cc3c(cc2Br)OCCO3)CC1 ZINC000194818216 553031124 /nfs/dbraw/zinc/03/11/24/553031124.db2.gz JXYJAKNIUWPRAM-UHFFFAOYSA-N 1 0 397.313 2.752 20 0 GFADRO COc1ccc(Br)cc1CNC(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000194977985 553034791 /nfs/dbraw/zinc/03/47/91/553034791.db2.gz YFVHXPPYPOCTIC-LBPRGKRZSA-N 1 0 382.302 2.741 20 0 GFADRO OCCCSCC[NH2+]Cc1ncc(Br)cc1Br ZINC000229603250 553064606 /nfs/dbraw/zinc/06/46/06/553064606.db2.gz INGDLXVMAKWDTD-UHFFFAOYSA-N 1 0 384.137 2.812 20 0 GFADRO Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)NCCCN1CC[NH2+]CC1 ZINC000195121864 553038825 /nfs/dbraw/zinc/03/88/25/553038825.db2.gz QRQNHRLGVQQXRV-UHFFFAOYSA-N 1 0 378.929 2.797 20 0 GFADRO CN1CC[NH+](CC2CCN(C(=O)c3cc(Br)cs3)CC2)CC1 ZINC000195330253 553045696 /nfs/dbraw/zinc/04/56/96/553045696.db2.gz QGLYIVIQPIIOJT-UHFFFAOYSA-N 1 0 386.359 2.610 20 0 GFADRO CC(C)[C@H]([NH3+])CCN(C)C(=O)c1ccc(F)cc1I ZINC000226292393 553061518 /nfs/dbraw/zinc/06/15/18/553061518.db2.gz HSRDIVFODTYCSD-CYBMUJFWSA-N 1 0 378.229 2.876 20 0 GFADRO C[N@@H+]1CCC[C@@H](NC(=O)c2ccc(I)c(Cl)c2)C1 ZINC000226789963 553061851 /nfs/dbraw/zinc/06/18/51/553061851.db2.gz QBEXJXDJSRCWFL-SNVBAGLBSA-N 1 0 378.641 2.769 20 0 GFADRO C[C@@H]1CN(C(=O)c2cc(Cl)ccc2I)[C@H](C)C[NH2+]1 ZINC000227355292 553062605 /nfs/dbraw/zinc/06/26/05/553062605.db2.gz JKUVMSQGKKUXBB-RKDXNWHRSA-N 1 0 378.641 2.767 20 0 GFADRO C[C@H](Sc1ccccc1Cl)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000229071987 553063681 /nfs/dbraw/zinc/06/36/81/553063681.db2.gz RUNFFLXNDFCJMZ-UONOGXRCSA-N 1 0 383.945 2.524 20 0 GFADRO C[C@@H](C[NH+]1CCCCC1)NC(=O)c1ccc(I)c(O)c1 ZINC000230888814 553065498 /nfs/dbraw/zinc/06/54/98/553065498.db2.gz RSILRURSXKVBFE-NSHDSACASA-N 1 0 388.249 2.601 20 0 GFADRO CC[C@@H]([NH3+])CNC(=O)c1cc(Br)ccc1I ZINC000233891275 553066979 /nfs/dbraw/zinc/06/69/79/553066979.db2.gz YRTGJEWSBYBGQN-MRVPVSSYSA-N 1 0 397.054 2.521 20 0 GFADRO Brc1cccc(-c2nc(C[NH2+]CCN3CCOCC3)cs2)c1 ZINC000236581700 553069052 /nfs/dbraw/zinc/06/90/52/553069052.db2.gz CPPBAOAZMFJEAP-UHFFFAOYSA-N 1 0 382.327 2.994 20 0 GFADRO O=C(Nc1cc(Br)ccc1N1CCOCC1)[C@@H]1CC12CC[NH2+]CC2 ZINC000236607808 553069912 /nfs/dbraw/zinc/06/99/12/553069912.db2.gz DOWJXNYWJFTSGG-AWEZNQCLSA-N 1 0 394.313 2.614 20 0 GFADRO CCC(CC)(C[NH3+])NC(=O)c1cc(F)c(F)cc1I ZINC000236786192 553071458 /nfs/dbraw/zinc/07/14/58/553071458.db2.gz NZBNQESZXXTUQS-UHFFFAOYSA-N 1 0 382.192 2.817 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000236828912 553071574 /nfs/dbraw/zinc/07/15/74/553071574.db2.gz TWUUWGNZMHWHPB-CABCVRRESA-N 1 0 384.567 2.609 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)N1CCC([NH2+]C)CC1 ZINC000236824900 553071756 /nfs/dbraw/zinc/07/17/56/553071756.db2.gz XXIDRLIGCIOTKK-AWEZNQCLSA-N 1 0 384.567 2.561 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)N[C@@](C)(C[NH3+])C1CC1 ZINC000236829754 553072035 /nfs/dbraw/zinc/07/20/35/553072035.db2.gz KQNJCHCBOCHPLJ-ACJLOTCBSA-N 1 0 384.567 2.595 20 0 GFADRO CCOc1ccc(S(=O)(=O)NCC[C@H]2CCC[NH2+]C2)cc1Br ZINC000236864274 553072279 /nfs/dbraw/zinc/07/22/79/553072279.db2.gz XFTNYKOXSXLNOE-GFCCVEGCSA-N 1 0 391.331 2.516 20 0 GFADRO CCOc1cc(Br)c(CC(=O)N[C@@H]2CCC[NH2+]C2)cc1OCC ZINC000236879744 553073085 /nfs/dbraw/zinc/07/30/85/553073085.db2.gz ZCJAKCNVFXWUQX-CYBMUJFWSA-N 1 0 385.302 2.657 20 0 GFADRO CCN(CC)S(=O)(=O)c1cc(NC(=O)CC2CC[NH2+]CC2)ccc1Cl ZINC000236974801 553073609 /nfs/dbraw/zinc/07/36/09/553073609.db2.gz SFWFYEJBYXBBOC-UHFFFAOYSA-N 1 0 387.933 2.699 20 0 GFADRO COc1c(C[NH2+][C@@H]2CCN(c3ccc(Br)cc3)C2)c(C)nn1C ZINC000237209477 553076072 /nfs/dbraw/zinc/07/60/72/553076072.db2.gz OOQCYIADIDHHSV-CQSZACIVSA-N 1 0 379.302 2.868 20 0 GFADRO COc1cc(C[NH2+]C2CCN(c3ncccn3)CC2)cc(Br)c1O ZINC000237365119 553077302 /nfs/dbraw/zinc/07/73/02/553077302.db2.gz GALYRTQPBBXIQV-UHFFFAOYSA-N 1 0 393.285 2.712 20 0 GFADRO C[C@H](NC(=O)C1(C[NH3+])CCCC1)c1cc2c(cc1Br)OCCO2 ZINC000237545198 553078805 /nfs/dbraw/zinc/07/88/05/553078805.db2.gz OBNIEMLZUJKAGT-NSHDSACASA-N 1 0 383.286 2.917 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)c1ccc(S(=O)(=O)c2ccccc2)s1 ZINC000237562687 553079320 /nfs/dbraw/zinc/07/93/20/553079320.db2.gz DCHNDVRIXQTHOK-DZGCQCFKSA-N 1 0 378.519 2.923 20 0 GFADRO C[C@]1(C(=O)NC[C@@H]2CCN(c3cccc(Br)c3)C2)CCC[NH2+]C1 ZINC000237563677 553079379 /nfs/dbraw/zinc/07/93/79/553079379.db2.gz PJFXMUHGGMEBBR-KSSFIOAISA-N 1 0 380.330 2.781 20 0 GFADRO C[C@H](Oc1ccc(Cl)cc1Br)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000237622889 553080115 /nfs/dbraw/zinc/08/01/15/553080115.db2.gz BRCYTWJKWSPCEP-WDEREUQCSA-N 1 0 375.694 2.986 20 0 GFADRO O=C([C@@H]1Cc2ccccc2C[NH2+]1)N1CCN(Cc2ccc(Cl)s2)CC1 ZINC000237688467 553080364 /nfs/dbraw/zinc/08/03/64/553080364.db2.gz PSLORAQXZWHDOS-KRWDZBQOSA-N 1 0 375.925 2.760 20 0 GFADRO O=S(=O)(NCC[C@H]1CCC[NH2+]C1)c1ccc(Br)c(Cl)c1 ZINC000237713968 553081139 /nfs/dbraw/zinc/08/11/39/553081139.db2.gz ZIZJXXUZYSTQBE-SNVBAGLBSA-N 1 0 381.723 2.771 20 0 GFADRO O=C(NC[C@H]1CCC[NH2+]C1)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1 ZINC000237775444 553081906 /nfs/dbraw/zinc/08/19/06/553081906.db2.gz STETUUKLFFKUCU-AWEZNQCLSA-N 1 0 384.929 2.542 20 0 GFADRO [NH3+]CC1CCN(C(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000237804456 553082254 /nfs/dbraw/zinc/08/22/54/553082254.db2.gz WDVCZXXDNQNBKP-INIZCTEOSA-N 1 0 384.307 2.795 20 0 GFADRO Cc1c(C(=O)N[C@H]2CCCC[C@H]2C[NH3+])nnn1-c1cccc(Br)c1 ZINC000237845892 553082738 /nfs/dbraw/zinc/08/27/38/553082738.db2.gz RBTMKFMFJGJCSM-WFASDCNBSA-N 1 0 392.301 2.586 20 0 GFADRO [NH3+]C[C@H](NC(=O)Cc1csc(-c2cccc(Br)c2)n1)C1CC1 ZINC000237880693 553083252 /nfs/dbraw/zinc/08/32/52/553083252.db2.gz IGIXABRNOOUZEO-AWEZNQCLSA-N 1 0 380.311 2.969 20 0 GFADRO [NH3+][C@@H]1CCC[C@H](C(=O)N2CCN(C(=O)c3cc(Cl)cc(Cl)c3)CC2)C1 ZINC000237891574 553083513 /nfs/dbraw/zinc/08/35/13/553083513.db2.gz GTBYWFUCYNIXBK-BLLLJJGKSA-N 1 0 384.307 2.795 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H](C(=O)N2CCN(C(=O)c3cc(Cl)cc(Cl)c3)CC2)C1 ZINC000237861554 553083643 /nfs/dbraw/zinc/08/36/43/553083643.db2.gz GTBYWFUCYNIXBK-MLGOLLRUSA-N 1 0 384.307 2.795 20 0 GFADRO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)c1cc(=O)c2cc(Br)ccc2[nH]1 ZINC000237924732 553084100 /nfs/dbraw/zinc/08/41/00/553084100.db2.gz FYGPDTSTWVZSQJ-GXFFZTMASA-N 1 0 378.270 2.538 20 0 GFADRO [NH3+][C@@H]1CC[C@@H](C(=O)N[C@@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)C1 ZINC000237945250 553084108 /nfs/dbraw/zinc/08/41/08/553084108.db2.gz ZHPPGSONIRGGCT-YUSALJHKSA-N 1 0 376.810 2.576 20 0 GFADRO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000237921253 553084159 /nfs/dbraw/zinc/08/41/59/553084159.db2.gz NQLJSMIVEMKDDA-DETPVDSQSA-N 1 0 384.307 2.980 20 0 GFADRO [NH3+]C[C@@H]1CCCN1C(=O)c1nn(-c2cccc(Br)c2)c2c1CCC2 ZINC000237978755 553084569 /nfs/dbraw/zinc/08/45/69/553084569.db2.gz RRTKZYVACOOQEX-AWEZNQCLSA-N 1 0 389.297 2.687 20 0 GFADRO [NH3+]C[C@@H](NC(=O)CCNC(=O)c1ccc(Br)cc1)C1CCCCC1 ZINC000238057388 553085846 /nfs/dbraw/zinc/08/58/46/553085846.db2.gz CUNFQGQFQMOXQS-MRXNPFEDSA-N 1 0 396.329 2.593 20 0 GFADRO C[C@H](C(=O)NCCNC(=O)c1cccc(Br)c1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000245203758 553089320 /nfs/dbraw/zinc/08/93/20/553089320.db2.gz JPAAFOVRYBGSIQ-HZSPNIEDSA-N 1 0 396.329 2.556 20 0 GFADRO CC[C@@H](C)[N@H+](C)CCNC(=O)[C@H]1CCN(c2ccccc2Br)C1=O ZINC000245392312 553089361 /nfs/dbraw/zinc/08/93/61/553089361.db2.gz ASFFSHLBJMGCMQ-ZIAGYGMSSA-N 1 0 396.329 2.649 20 0 GFADRO C[C@H](NC(=O)CN(C)[C@@H]1CCCC[C@H]1S(C)(=O)=O)c1ccc(Cl)cc1 ZINC000245426536 553090298 /nfs/dbraw/zinc/09/02/98/553090298.db2.gz LKCWCRGZBABWAW-IAOVAPTHSA-N 1 0 386.945 2.805 20 0 GFADRO CC[C@@H]1CN(C(=O)Nc2cc(F)ccc2Br)CC[N@@H+]1C[C@H](C)O ZINC000245604846 553093500 /nfs/dbraw/zinc/09/35/00/553093500.db2.gz QOLJXSWBGLCVKO-WCQYABFASA-N 1 0 388.281 2.897 20 0 GFADRO O=C(NCC[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2)c1ccc(Br)cc1 ZINC000245634058 553094278 /nfs/dbraw/zinc/09/42/78/553094278.db2.gz UVSWHFCKALFZRF-ARFHVFGLSA-N 1 0 379.298 2.726 20 0 GFADRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)c2csc(S(C)(=O)=O)c2)C1 ZINC000245779042 553097119 /nfs/dbraw/zinc/09/71/19/553097119.db2.gz UNPWQPKTSBLWPV-LSDHHAIUSA-N 1 0 384.567 2.878 20 0 GFADRO CCO[C@@H]1C[C@@H]([NH2+]C[C@@H](O)CS(=O)(=O)c2cccs2)C12CCCCC2 ZINC000245840512 553097879 /nfs/dbraw/zinc/09/78/79/553097879.db2.gz DLGQHPFZSBNSRQ-BZUAXINKSA-N 1 0 387.567 2.600 20 0 GFADRO COc1ccc([C@H](C)[NH2+]C[C@H]2CC[C@@H](C(=O)N(C)C)O2)cc1Br ZINC000245986040 553100271 /nfs/dbraw/zinc/10/02/71/553100271.db2.gz CBSVZJSFQORMMY-GHJWDPDVSA-N 1 0 385.302 2.744 20 0 GFADRO CN(C)C(=O)[C@@H]1CC[C@H](C[NH2+][C@H]2CCCOc3c(Br)cccc32)O1 ZINC000245986261 553100536 /nfs/dbraw/zinc/10/05/36/553100536.db2.gz CFDWUUYQNGGRKJ-KCXAZCMYSA-N 1 0 397.313 2.888 20 0 GFADRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)NCCNc2ncc(Cl)cc2Cl)C1 ZINC000246019367 553100880 /nfs/dbraw/zinc/10/08/80/553100880.db2.gz USZXFFYCXWKBTN-WFASDCNBSA-N 1 0 386.327 2.926 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2cc(Br)ccc2F)[C@@H](C)C1 ZINC000246032923 553101203 /nfs/dbraw/zinc/10/12/03/553101203.db2.gz ALFVBICQJIJLGP-SMDDNHRTSA-N 1 0 393.322 2.939 20 0 GFADRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)NCCOc1ccc(Br)cc1 ZINC000246162313 553103587 /nfs/dbraw/zinc/10/35/87/553103587.db2.gz FDMHYTPMDPMQKS-XJKSGUPXSA-N 1 0 384.318 2.810 20 0 GFADRO CC[C@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccc(Cl)c(S(=O)(=O)N(C)C)c2)C1 ZINC000246307110 553105730 /nfs/dbraw/zinc/10/57/30/553105730.db2.gz VXMAJYYCBIGLKT-OLZOCXBDSA-N 1 0 387.933 2.649 20 0 GFADRO OC[C@@H]1c2ccccc2CC[N@H+]1C[C@@H](O)COc1ccc(Br)cc1 ZINC000246293748 553105958 /nfs/dbraw/zinc/10/59/58/553105958.db2.gz BDWRUYVVUJMSQY-VQIMIIECSA-N 1 0 392.293 2.781 20 0 GFADRO C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+]1CC[C@@]2(CCOC2)C1 ZINC000246796340 553113504 /nfs/dbraw/zinc/11/35/04/553113504.db2.gz CWTJXDXMWOLHSC-RDTXWAMCSA-N 1 0 381.314 2.908 20 0 GFADRO C[C@H](C(=O)Nc1cccc(Br)c1)[N@@H+]1CC[C@@H](c2cnn(C)c2)C1 ZINC000246858078 553114164 /nfs/dbraw/zinc/11/41/64/553114164.db2.gz DTRTYJNBIXFRBS-CHWSQXEVSA-N 1 0 377.286 2.999 20 0 GFADRO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)c1ccc(Br)cn1 ZINC000247222040 553119910 /nfs/dbraw/zinc/11/99/10/553119910.db2.gz NFGQNOISWMJLDE-XJKSGUPXSA-N 1 0 389.297 2.880 20 0 GFADRO C[N@@H+]1CCC[C@H](CNC(=O)NCC[S@](=O)C(C)(C)C)[C@@H]1c1cccs1 ZINC000247375606 553122083 /nfs/dbraw/zinc/12/20/83/553122083.db2.gz DWVBMAQCGFKKCV-ZCBSFCEKSA-N 1 0 385.599 2.977 20 0 GFADRO CC[C@H](C)C[N@H+](C)[C@H](C)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000247578067 553123995 /nfs/dbraw/zinc/12/39/95/553123995.db2.gz KVJGCHOBQQDBGH-QWHCGFSZSA-N 1 0 389.949 2.895 20 0 GFADRO C[N@@H+]1CC[C@@H](NC(=O)c2cc(I)c[nH]2)[C@H]1c1ccccc1 ZINC000247961335 553127038 /nfs/dbraw/zinc/12/70/38/553127038.db2.gz CSYPGVQDEMSGRC-UKRRQHHQSA-N 1 0 395.244 2.795 20 0 GFADRO C[N@H+](CCCO)C1CCN(C(=O)[C@H]2C[C@H]2c2cccc(Br)c2)CC1 ZINC000248133067 553127963 /nfs/dbraw/zinc/12/79/63/553127963.db2.gz WVZQQZRDSRQFDF-ROUUACIJSA-N 1 0 395.341 2.858 20 0 GFADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)COc2cc(Cl)cc(Cl)c2)C1 ZINC000248207308 553128363 /nfs/dbraw/zinc/12/83/63/553128363.db2.gz BPCWIGVPTGHBAT-INIZCTEOSA-N 1 0 375.296 2.845 20 0 GFADRO C[C@H](O)C[N@@H+]1CCN(C(=O)Cc2csc(-c3ccc(Cl)s3)n2)[C@@H](C)C1 ZINC000248655244 553132255 /nfs/dbraw/zinc/13/22/55/553132255.db2.gz QHNXPDOIAYUCLS-RYUDHWBXSA-N 1 0 399.969 2.981 20 0 GFADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)Cc3ccc(I)cc3)CC[C@H]21 ZINC000249013003 553137783 /nfs/dbraw/zinc/13/77/83/553137783.db2.gz JUSOAYGYQHPQKI-GDBMZVCRSA-N 1 0 398.288 2.776 20 0 GFADRO COC(=O)c1cccc(NC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)c1Br ZINC000249093714 553138898 /nfs/dbraw/zinc/13/88/98/553138898.db2.gz TVUIGJTWJBCJJM-NEPJUHHUSA-N 1 0 396.285 2.936 20 0 GFADRO Cc1ccc(Br)c(NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000249237012 553141126 /nfs/dbraw/zinc/14/11/26/553141126.db2.gz WFMVMUJIGPVVGS-QWHCGFSZSA-N 1 0 382.302 2.637 20 0 GFADRO C[C@H](O)C[N@@H+]1CCN(Cc2coc(-c3ccc(Br)cc3)n2)[C@H](C)C1 ZINC000249289264 553141356 /nfs/dbraw/zinc/14/13/56/553141356.db2.gz PCVHKKHBEKUBEY-KGLIPLIRSA-N 1 0 394.313 2.991 20 0 GFADRO C[C@H]1CN(C[C@@H](O)COc2cc(Cl)ccc2Cl)CC[N@@H+]1CC(C)(C)O ZINC000249389144 553142373 /nfs/dbraw/zinc/14/23/73/553142373.db2.gz QKIPTONVISLMST-DZGCQCFKSA-N 1 0 391.339 2.510 20 0 GFADRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)[C@H]1C[C@H]1c1ccc(Br)cc1 ZINC000249430412 553142657 /nfs/dbraw/zinc/14/26/57/553142657.db2.gz YYEFRPGVZAYRFE-COXVUDFISA-N 1 0 395.341 2.856 20 0 GFADRO OC[C@@H]1CCC[N@H+](C[C@@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000250641843 553148030 /nfs/dbraw/zinc/14/80/30/553148030.db2.gz VAEGWZNPUZQCSC-DGCLKSJQSA-N 1 0 378.694 2.547 20 0 GFADRO Cc1ccc(S(=O)(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c(Br)c1 ZINC000252466237 553149696 /nfs/dbraw/zinc/14/96/96/553149696.db2.gz WAYDVMFUWULMNA-STQMWFEESA-N 1 0 375.332 2.861 20 0 GFADRO O=C(c1cc(Br)sc1Br)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261584696 553153291 /nfs/dbraw/zinc/15/32/91/553153291.db2.gz SNOAIEIIUGWESV-SFYZADRCSA-N 1 0 394.132 2.955 20 0 GFADRO C[C@H](NC(=O)c1cccs1)C(=O)N1CC[NH2+]C[C@H]1c1cccc(Cl)c1 ZINC000261602518 553154127 /nfs/dbraw/zinc/15/41/27/553154127.db2.gz ACIQQJXMAHVRAD-WFASDCNBSA-N 1 0 377.897 2.693 20 0 GFADRO C[C@]([NH3+])(C(=O)N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C)c1ccc(Br)cc1 ZINC000261693201 553156678 /nfs/dbraw/zinc/15/66/78/553156678.db2.gz HTSUSEMHMXZKHL-JTOWHCCKSA-N 1 0 381.314 2.943 20 0 GFADRO COC(=O)C[C@H](NC(=O)C[C@@H]1CCC[C@H]1[NH3+])c1ccc(Br)cc1 ZINC000261724941 553157501 /nfs/dbraw/zinc/15/75/01/553157501.db2.gz KNABYLCXJDBGHP-CFVMTHIKSA-N 1 0 383.286 2.687 20 0 GFADRO C[NH2+][C@H](C)CNC(=O)c1cccc(NC(=O)c2ccc(Br)o2)c1 ZINC000261781209 553159236 /nfs/dbraw/zinc/15/92/36/553159236.db2.gz QAZSQVONNUQUQK-SNVBAGLBSA-N 1 0 380.242 2.632 20 0 GFADRO CC1(C)[C@@H]2OCCC[C@H]2[C@]1([NH3+])C(=O)NCc1cc(F)ccc1Br ZINC000261814984 553159875 /nfs/dbraw/zinc/15/98/75/553159875.db2.gz GVIFNRRVDJBPCT-MRRJBJDNSA-N 1 0 385.277 2.737 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCCN(Cc2ccc(Br)cc2N2CCOCC2)C1 ZINC000261796068 553159905 /nfs/dbraw/zinc/15/99/05/553159905.db2.gz GOXGTVPYCUKEBU-GJZGRUSLSA-N 1 0 382.346 2.845 20 0 GFADRO [NH3+][C@@H]1CCC[C@H]1CC(=O)NC[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000261839130 553160369 /nfs/dbraw/zinc/16/03/69/553160369.db2.gz UTTYJPLFXBXDIG-GRDNDAEWSA-N 1 0 380.330 2.909 20 0 GFADRO Cc1noc(C)c1C[C@@H](C)NC(=O)[C@@](C)([NH3+])c1ccc(Br)cc1 ZINC000261837358 553160474 /nfs/dbraw/zinc/16/04/74/553160474.db2.gz UQLFBHLPIYHCDI-QGHHPUGFSA-N 1 0 380.286 2.975 20 0 GFADRO C[NH2+][C@@H](C)Cc1noc([C@H]2CCN(c3ccccc3Br)C2=O)n1 ZINC000261830903 553160658 /nfs/dbraw/zinc/16/06/58/553160658.db2.gz RDYMDQBACNGQHC-WDEREUQCSA-N 1 0 379.258 2.503 20 0 GFADRO O=C(N[C@@H]1CCc2cc(Br)ccc21)C1(n2cccn2)CC[NH2+]CC1 ZINC000261848540 553160913 /nfs/dbraw/zinc/16/09/13/553160913.db2.gz AZWFYNDELOHZAX-MRXNPFEDSA-N 1 0 389.297 2.528 20 0 GFADRO Cc1ccc(S(=O)(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)c(Br)c1 ZINC000261849973 553160979 /nfs/dbraw/zinc/16/09/79/553160979.db2.gz DJANLFHQTTZRTO-OAHLLOKOSA-N 1 0 387.343 2.910 20 0 GFADRO Cc1cccc(C(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)c1I ZINC000261851493 553161283 /nfs/dbraw/zinc/16/12/83/553161283.db2.gz QLXWWVIVCAZDAB-BETUJISGSA-N 1 0 384.261 2.671 20 0 GFADRO CS(=O)(=O)c1cc(-c2nc(C3([NH3+])CCCC3)no2)ccc1Br ZINC000261874348 553161813 /nfs/dbraw/zinc/16/18/13/553161813.db2.gz VODWBCLGHLXMKS-UHFFFAOYSA-N 1 0 386.271 2.631 20 0 GFADRO CN(Cc1ccc(Br)cc1)C(=O)[C@]1([NH3+])[C@H]2CCCO[C@H]2C1(C)C ZINC000261943380 553162755 /nfs/dbraw/zinc/16/27/55/553162755.db2.gz VBQZYEMAIILPRI-HDMKZQKVSA-N 1 0 381.314 2.940 20 0 GFADRO O=C(CN1CCC[NH2+]CC1)Nc1ccc(Br)c(C(F)(F)F)c1 ZINC000261988308 553164204 /nfs/dbraw/zinc/16/42/04/553164204.db2.gz SQNNCYJCLHKOMR-UHFFFAOYSA-N 1 0 380.208 2.702 20 0 GFADRO C[C@]1(C[NH3+])CCN(C(=O)c2ccc(Cl)c(I)c2)C1 ZINC000261950526 553163624 /nfs/dbraw/zinc/16/36/24/553163624.db2.gz KAQIISDZOCDMKP-CYBMUJFWSA-N 1 0 378.641 2.756 20 0 GFADRO Cn1ccnc1[C@@H]1C[NH2+]CCN1Cc1ccc(Br)c2cccnc12 ZINC000261997188 553164183 /nfs/dbraw/zinc/16/41/83/553164183.db2.gz KXFJXOLKQUFSKW-INIZCTEOSA-N 1 0 386.297 2.877 20 0 GFADRO [NH3+]CCN(CCc1ccccc1)S(=O)(=O)c1sccc1Br ZINC000262023720 553164819 /nfs/dbraw/zinc/16/48/19/553164819.db2.gz NKELGAJTFMDCHU-UHFFFAOYSA-N 1 0 389.340 2.703 20 0 GFADRO Cc1ccc(Br)cc1S(=O)(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000262088938 553165824 /nfs/dbraw/zinc/16/58/24/553165824.db2.gz HVVRKMNGGOEBJM-UHFFFAOYSA-N 1 0 387.343 2.910 20 0 GFADRO C[C@]1(C[NH3+])CCN(C(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CCCC2)C1 ZINC000262103149 553165893 /nfs/dbraw/zinc/16/58/93/553165893.db2.gz VCIRUINEHGYNKO-QGZVFWFLSA-N 1 0 384.929 2.624 20 0 GFADRO CCOC(=O)c1cc2cc(S(=O)(=O)N(C)CC(C)(C)C[NH3+])ccc2s1 ZINC000262105733 553166061 /nfs/dbraw/zinc/16/60/61/553166061.db2.gz UCOKUUFCEYRNJJ-UHFFFAOYSA-N 1 0 384.523 2.683 20 0 GFADRO CC(C)c1n[nH]c(C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)c1Br ZINC000262196393 553167648 /nfs/dbraw/zinc/16/76/48/553167648.db2.gz KCBMQHBZVPTJDT-QWHCGFSZSA-N 1 0 377.286 2.863 20 0 GFADRO COc1ccc([C@H](NC(=O)C2C[NH2+]C2)c2ccccc2)cc1Br ZINC000262247913 553167857 /nfs/dbraw/zinc/16/78/57/553167857.db2.gz PCMUFUAJYJBUTN-QGZVFWFLSA-N 1 0 375.266 2.883 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000262260492 553168160 /nfs/dbraw/zinc/16/81/60/553168160.db2.gz UMBPWYVETAEUKW-MAZHCROVSA-N 1 0 394.313 2.733 20 0 GFADRO Cn1nc(C2CC[NH2+]CC2)nc1NC(=O)CCc1cccc(Br)c1 ZINC000262334741 553169265 /nfs/dbraw/zinc/16/92/65/553169265.db2.gz FJBNLAVDBHMNJP-UHFFFAOYSA-N 1 0 392.301 2.616 20 0 GFADRO O=C(N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1)c1cncc(Br)c1 ZINC000262517309 553171807 /nfs/dbraw/zinc/17/18/07/553171807.db2.gz NEGRYNJHEVHWRG-BBRMVZONSA-N 1 0 396.235 2.998 20 0 GFADRO O=C(Cc1csc(-c2cccc(Br)c2)n1)NC1CC[NH2+]CC1 ZINC000262523225 553171843 /nfs/dbraw/zinc/17/18/43/553171843.db2.gz YTTWTCSQLGQDMB-UHFFFAOYSA-N 1 0 380.311 2.983 20 0 GFADRO O=C(Nc1cccc(I)c1)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000262706122 553174163 /nfs/dbraw/zinc/17/41/63/553174163.db2.gz BNKUKFWBCNAPMP-ZDUSSCGKSA-N 1 0 396.232 2.665 20 0 GFADRO C[C@H]1[NH2+]CCN(S(=O)(=O)c2cc(Cl)c(Br)cc2F)[C@@H]1C ZINC000262764661 553175229 /nfs/dbraw/zinc/17/52/29/553175229.db2.gz KJSXXNDDXZGNNE-HTQZYQBOSA-N 1 0 385.686 2.613 20 0 GFADRO C[C@H]1[NH2+]CCN(C(=O)c2nn(-c3ccc(F)cc3)cc2Br)[C@H]1C ZINC000262757314 553175254 /nfs/dbraw/zinc/17/52/54/553175254.db2.gz HTAKAKJWJJGGPI-MNOVXSKESA-N 1 0 381.249 2.596 20 0 GFADRO CCCC[C@H](C[NH3+])NS(=O)(=O)c1cc(Cl)ccc1O[C@H](C)COC ZINC000262787547 553175736 /nfs/dbraw/zinc/17/57/36/553175736.db2.gz QVBVKUUTVNMZGI-TZMCWYRMSA-N 1 0 378.922 2.550 20 0 GFADRO C[C@H]1C[C@@H](NS(=O)(=O)c2cc(Cl)c(Br)cc2F)CC[NH2+]1 ZINC000262811754 553176180 /nfs/dbraw/zinc/17/61/80/553176180.db2.gz YGMGPCMWWFMGHM-YUMQZZPRSA-N 1 0 385.686 2.660 20 0 GFADRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)CCc1nc(-c2cc(Br)cs2)no1 ZINC000262840803 553176814 /nfs/dbraw/zinc/17/68/14/553176814.db2.gz RIAQLLZWZUQROH-GXSJLCMTSA-N 1 0 399.314 2.607 20 0 GFADRO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000262869939 553177808 /nfs/dbraw/zinc/17/78/08/553177808.db2.gz UXIXBKDQWUEFLZ-NOZJJQNGSA-N 1 0 379.254 2.592 20 0 GFADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)Cc1c(Cl)cccc1Cl ZINC000263642122 553189842 /nfs/dbraw/zinc/18/98/42/553189842.db2.gz AXWGWXLOCKIFKW-MRXNPFEDSA-N 1 0 386.323 2.595 20 0 GFADRO CN(Cc1cccc(Br)c1)C(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000263721234 553192224 /nfs/dbraw/zinc/19/22/24/553192224.db2.gz PVLFOAYZJVCFSH-UHFFFAOYSA-N 1 0 397.361 2.617 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)N[C@H](C)CCC[NH3+] ZINC000417365032 563878614 /nfs/dbraw/zinc/87/86/14/563878614.db2.gz IEZFVVACQMHBKM-GFCCVEGCSA-N 1 0 385.306 2.513 20 0 GFADRO C[C@H](C[NH2+]Cc1nn(C)cc1I)CC1CCOCC1 ZINC000449605411 564192065 /nfs/dbraw/zinc/19/20/65/564192065.db2.gz NCDBRTMFABYMRS-NSHDSACASA-N 1 0 377.270 2.567 20 0 GFADRO C[C@H]([NH2+]C[C@@H]1CCCCN1S(C)(=O)=O)c1ccccc1Br ZINC000507274886 564224320 /nfs/dbraw/zinc/22/43/20/564224320.db2.gz ADXOLWGQTUFLOP-STQMWFEESA-N 1 0 375.332 2.914 20 0 GFADRO O=S(=O)(c1ccc(Cl)cc1Br)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000541386589 564277123 /nfs/dbraw/zinc/27/71/23/564277123.db2.gz QHRAUQFEBJUZBK-LBPRGKRZSA-N 1 0 393.734 2.961 20 0 GFADRO CCOC[C@@H](O)C[N@@H+]1CC[C@@H](Cc2cccc(I)c2)C1 ZINC000451195727 564285091 /nfs/dbraw/zinc/28/50/91/564285091.db2.gz UZTKEXQKWZOIIC-HOCLYGCPSA-N 1 0 389.277 2.553 20 0 GFADRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1cc(I)ccc1F ZINC000474920609 564292937 /nfs/dbraw/zinc/29/29/37/564292937.db2.gz DOFJOYTXDPDYBW-YMTOWFKASA-N 1 0 388.224 2.643 20 0 GFADRO Cc1ccc(I)cc1C(=O)N(C)[C@H]1C[NH+]2CCC1CC2 ZINC000477239224 564370687 /nfs/dbraw/zinc/37/06/87/564370687.db2.gz ILXUEDAJIVQFRE-HNNXBMFYSA-N 1 0 384.261 2.766 20 0 GFADRO CS(=O)(=O)N1CC[C@@H]([NH2+][C@H]2CCSc3ccc(Br)cc32)C1 ZINC000568043471 564402490 /nfs/dbraw/zinc/40/24/90/564402490.db2.gz KCBQOLWKHZRELR-YPMHNXCESA-N 1 0 391.356 2.610 20 0 GFADRO Cc1ccc(Br)c(S(=O)(=O)NCC[NH2+]C[C@@H]2CC=CCC2)c1 ZINC000513106631 564421122 /nfs/dbraw/zinc/42/11/22/564421122.db2.gz OYITXSREOUHCGB-CQSZACIVSA-N 1 0 387.343 2.982 20 0 GFADRO COc1cc(Br)cc(S(=O)(=O)NCC[N@@H+]2CCCC[C@@H]2C)c1 ZINC000546177411 564448381 /nfs/dbraw/zinc/44/83/81/564448381.db2.gz OLTBKZGXZRMMOB-LBPRGKRZSA-N 1 0 391.331 2.610 20 0 GFADRO COCCOCC[NH2+][C@H](CO)c1ccc(Br)cc1C(F)(F)F ZINC000280536482 563341973 /nfs/dbraw/zinc/34/19/73/563341973.db2.gz PIVAZJXQHUEAMY-CYBMUJFWSA-N 1 0 386.208 2.754 20 0 GFADRO COc1cc(I)ccc1NC(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000424412353 563378952 /nfs/dbraw/zinc/37/89/52/563378952.db2.gz AINQOMVYTRHNJX-GHMZBOCLSA-N 1 0 389.237 2.691 20 0 GFADRO Cc1c(Br)cc(C(=O)NCCCC[N@H+]2CCCC[C@@H]2C)c(=O)n1C ZINC000277550311 563212783 /nfs/dbraw/zinc/21/27/83/563212783.db2.gz XPITYVJAEARAJA-ZDUSSCGKSA-N 1 0 398.345 2.841 20 0 GFADRO O=C(NCCc1ccc(Br)cc1Cl)N[C@@H]1C[NH2+]CCC1(F)F ZINC000418225990 563213829 /nfs/dbraw/zinc/21/38/29/563213829.db2.gz APKZQVTXDKXDGK-GFCCVEGCSA-N 1 0 396.663 2.941 20 0 GFADRO CCC[C@H]1C[NH2+]CCN1C(=O)NCc1nc2c(cccc2Br)[nH]1 ZINC000418266096 563214610 /nfs/dbraw/zinc/21/46/10/563214610.db2.gz MJJOHNWKQNUABJ-NSHDSACASA-N 1 0 380.290 2.609 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)NCc3nc4c(cccc4Br)[nH]3)C[C@H]21 ZINC000418262785 563215055 /nfs/dbraw/zinc/21/50/55/563215055.db2.gz ITIRCRNPLZGUKK-NQBHXWOUSA-N 1 0 392.301 2.594 20 0 GFADRO C[NH2+]C[C@H](C)CNC(=O)N1CCN([C@@H](C)c2ccc(Br)cc2)CC1 ZINC000418359567 563216645 /nfs/dbraw/zinc/21/66/45/563216645.db2.gz ALTQKTHADFXETO-GJZGRUSLSA-N 1 0 397.361 2.693 20 0 GFADRO C[NH2+]C[C@H](C)CNC(=O)N1CCO[C@H](c2ccc(Br)cc2)[C@@H]1C ZINC000418392921 563216909 /nfs/dbraw/zinc/21/69/09/563216909.db2.gz QHEBNHPXALBFRE-XEZPLFJOSA-N 1 0 384.318 2.776 20 0 GFADRO Cc1ccc(-n2nc(Br)cc2C(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)cc1 ZINC000277628317 563217387 /nfs/dbraw/zinc/21/73/87/563217387.db2.gz RGLWUQQXIDFNCU-GXTWGEPZSA-N 1 0 377.286 2.671 20 0 GFADRO [NH3+][C@@H](CNC(=O)N[C@H](CCO)c1ccccc1Br)c1ccccc1 ZINC000418432592 563217701 /nfs/dbraw/zinc/21/77/01/563217701.db2.gz SOAACAWLVMLEBU-DLBZAZTESA-N 1 0 392.297 2.872 20 0 GFADRO O=C(Cc1cscc1Br)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000294854332 563219076 /nfs/dbraw/zinc/21/90/76/563219076.db2.gz BMNUBPUQLCMVHS-LBPRGKRZSA-N 1 0 387.343 2.670 20 0 GFADRO C[C@H](CC[NH3+])NC(=O)N(CCc1ccc(Cl)cc1)C[C@@H](O)C(F)(F)F ZINC000418533181 563219330 /nfs/dbraw/zinc/21/93/30/563219330.db2.gz UZTCZMUYUHGYOD-BXUZGUMPSA-N 1 0 381.826 2.555 20 0 GFADRO COC(=O)C1CCN(C(=O)C[NH2+][C@@H](C)c2ccc(Br)cc2)CC1 ZINC000277666253 563219920 /nfs/dbraw/zinc/21/99/20/563219920.db2.gz FHLWIFZTMZSWRV-LBPRGKRZSA-N 1 0 383.286 2.511 20 0 GFADRO C[NH+](C)C[C@@H]1CCN(C(=O)c2ccn(-c3ccc(Br)cc3)n2)C1 ZINC000294903316 563220675 /nfs/dbraw/zinc/22/06/75/563220675.db2.gz WAHAGLXOLFIEEA-ZDUSSCGKSA-N 1 0 377.286 2.659 20 0 GFADRO CC(C)(COc1ncccc1Br)NC(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000418583720 563220880 /nfs/dbraw/zinc/22/08/80/563220880.db2.gz NVIJDBZVBBBXLV-RYUDHWBXSA-N 1 0 385.306 2.571 20 0 GFADRO O[C@@H](Cc1ccccc1)CN1CCC(O)(c2scnc2Br)CC1 ZINC000369705051 563221967 /nfs/dbraw/zinc/22/19/67/563221967.db2.gz UOYYVCBZPYQFEO-AWEZNQCLSA-N 1 0 397.338 2.793 20 0 GFADRO O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC000294934490 563222047 /nfs/dbraw/zinc/22/20/47/563222047.db2.gz LCTLHXAVKHNUFH-YVEFUNNKSA-N 1 0 387.307 2.644 20 0 GFADRO C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)N[C@@H](C)CCC[NH3+])CC1 ZINC000418704059 563222534 /nfs/dbraw/zinc/22/25/34/563222534.db2.gz MSTAFGWJYNGBPU-LSDHHAIUSA-N 1 0 397.361 2.965 20 0 GFADRO CC[C@H](c1ccc(Br)cc1)N1CCN(C(=O)N[C@H](C)[C@@H](C)[NH3+])CC1 ZINC000418703828 563222962 /nfs/dbraw/zinc/22/29/62/563222962.db2.gz QXWUUIFNJGKZLN-CKEIUWERSA-N 1 0 397.361 2.963 20 0 GFADRO Cn1ncc(Br)c1C(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000294952734 563223214 /nfs/dbraw/zinc/22/32/14/563223214.db2.gz VZLHVCYNHQQVJZ-OAHLLOKOSA-N 1 0 391.313 2.967 20 0 GFADRO [NH3+][C@H]1CCC[C@@H](CNC(=O)N2CCN(c3cccc(Br)c3)CC2)C1 ZINC000418717410 563223366 /nfs/dbraw/zinc/22/33/66/563223366.db2.gz JLJHMQMYWIZOHS-ZBFHGGJFSA-N 1 0 395.345 2.798 20 0 GFADRO CN(C(=O)N[C@H](CC[NH3+])C(F)F)[C@H]1CCOc2ccc(Br)cc21 ZINC000418739305 563223710 /nfs/dbraw/zinc/22/37/10/563223710.db2.gz MLYAMWKWJMBONB-NEPJUHHUSA-N 1 0 392.244 2.897 20 0 GFADRO [NH3+][C@@H]1CCC[C@H](CNC(=O)N2CCC(n3cc(Br)cn3)CC2)C1 ZINC000418739811 563223740 /nfs/dbraw/zinc/22/37/40/563223740.db2.gz NFHZCDPZLCWBPX-GXTWGEPZSA-N 1 0 384.322 2.510 20 0 GFADRO CSc1ccc([C@@H](CNC(=O)Cn2c(C)c(C)sc2=O)[NH+](C)C)cc1 ZINC000294977088 563224736 /nfs/dbraw/zinc/22/47/36/563224736.db2.gz TXOKOACVSJZHOY-MRXNPFEDSA-N 1 0 379.551 2.668 20 0 GFADRO O=C(NCCC[C@H]1CCC[NH2+]1)N1CCOc2ccc(Br)cc2C1 ZINC000418765016 563225031 /nfs/dbraw/zinc/22/50/31/563225031.db2.gz JNDJPBBMIGRJPE-OAHLLOKOSA-N 1 0 382.302 2.885 20 0 GFADRO Cc1cc([C@H]2CCCN2C(=O)NC[C@H]2C[NH2+]CCO2)ccc1Br ZINC000418766224 563225207 /nfs/dbraw/zinc/22/52/07/563225207.db2.gz MTJPIEWHQOJSOJ-GDBMZVCRSA-N 1 0 382.302 2.592 20 0 GFADRO [NH3+]C[C@H]1CCCN1C(=O)C(=O)N[C@H](c1cccs1)c1ccc(Cl)cc1 ZINC000418771988 563225302 /nfs/dbraw/zinc/22/53/02/563225302.db2.gz YSJMLBDZVSWSSN-ZBFHGGJFSA-N 1 0 377.897 2.557 20 0 GFADRO Cn1cc([C@@H]2C[N@H+](Cc3cncc(Br)c3)CC23CCOCC3)cn1 ZINC000295031315 563226110 /nfs/dbraw/zinc/22/61/10/563226110.db2.gz NYDGDUDRRKKIKX-KRWDZBQOSA-N 1 0 391.313 2.974 20 0 GFADRO C[C@H](NC(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1)c1ccc(Cl)cc1Cl ZINC000418828860 563226609 /nfs/dbraw/zinc/22/66/09/563226609.db2.gz IHOFVBKIEQXXSW-KFYUAXIPSA-N 1 0 384.307 2.756 20 0 GFADRO CCCN(C(=O)C(=O)N[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl)[C@@H]1CC[NH2+]C1 ZINC000418823428 563226770 /nfs/dbraw/zinc/22/67/70/563226770.db2.gz YCKQOEYPFJWIQB-IVMMDQJWSA-N 1 0 384.307 2.566 20 0 GFADRO C[NH+](C)CCN1CCC(NC(=O)N2CCSC[C@H]2c2cccs2)CC1 ZINC000369891393 563227041 /nfs/dbraw/zinc/22/70/41/563227041.db2.gz HHQAYBWNPPZSKJ-INIZCTEOSA-N 1 0 382.599 2.574 20 0 GFADRO COCC[NH+]1CCC(NC(=O)N2CCO[C@H](c3ccc(Cl)s3)C2)CC1 ZINC000369871234 563227107 /nfs/dbraw/zinc/22/71/07/563227107.db2.gz JVCQFEQRKZAALR-AWEZNQCLSA-N 1 0 387.933 2.595 20 0 GFADRO C[C@H](NC(=O)C(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1)c1cc(F)c(Cl)cc1Cl ZINC000418850094 563227532 /nfs/dbraw/zinc/22/75/32/563227532.db2.gz NQBNGDNKTJMUIH-VWYCJHECSA-N 1 0 390.286 2.753 20 0 GFADRO O=S1(=O)CC[C@H]([NH2+]C2CCN(CCSc3ccc(Cl)cc3)CC2)C1 ZINC000369907036 563227791 /nfs/dbraw/zinc/22/77/91/563227791.db2.gz UXSYVUXJSGOMHX-INIZCTEOSA-N 1 0 388.986 2.673 20 0 GFADRO O=S(=O)(c1cccc2c(Cl)ccnc21)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000295066099 563227881 /nfs/dbraw/zinc/22/78/81/563227881.db2.gz ACLSKHJYQIBPFE-CQSZACIVSA-N 1 0 379.913 2.995 20 0 GFADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc(OC)c(OC)cc2Br)C1 ZINC000295133976 563230288 /nfs/dbraw/zinc/23/02/88/563230288.db2.gz IIRDPIDTKQVPLZ-LBPRGKRZSA-N 1 0 385.302 2.880 20 0 GFADRO CC(C)[C@H]([NH3+])CNC(=O)C(=O)N[C@@H](c1ccc(Br)cc1)C1CCC1 ZINC000418949682 563231856 /nfs/dbraw/zinc/23/18/56/563231856.db2.gz RYIRIJCIFFGGDK-HZPDHXFCSA-N 1 0 396.329 2.506 20 0 GFADRO CC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2cc(OC)cc(C(F)(F)F)c2)C1 ZINC000295155150 563231931 /nfs/dbraw/zinc/23/19/31/563231931.db2.gz DQDZPKXGTYFGGW-LBPRGKRZSA-N 1 0 380.432 2.676 20 0 GFADRO CCC([NH3+])(CC)CNC(=O)C(=O)N[C@H](C)CCc1ccc(Br)cc1 ZINC000419019077 563232747 /nfs/dbraw/zinc/23/27/47/563232747.db2.gz IVWFSKTZQBPQLR-CYBMUJFWSA-N 1 0 398.345 2.520 20 0 GFADRO [NH3+]CC[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CCc3c2ccc(Cl)c3Cl)C1 ZINC000419091374 563233216 /nfs/dbraw/zinc/23/32/16/563233216.db2.gz GLYSVPZHEIVSMF-NHYWBVRUSA-N 1 0 384.307 2.684 20 0 GFADRO O=c1c2cccc(I)c2ncn1CCC[NH+]1CCCCC1 ZINC000419107347 563233744 /nfs/dbraw/zinc/23/37/44/563233744.db2.gz FECFEYIETXDLRQ-UHFFFAOYSA-N 1 0 397.260 2.877 20 0 GFADRO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N[C@@H]1CCc2c1ccc(Cl)c2Cl ZINC000419101917 563233981 /nfs/dbraw/zinc/23/39/81/563233981.db2.gz QUDPFFNBJYKNIV-HUUCEWRRSA-N 1 0 386.323 2.929 20 0 GFADRO C[N@H+](Cc1cc(-c2ccccc2Cl)on1)C1CCN(S(C)(=O)=O)CC1 ZINC000419229791 563235357 /nfs/dbraw/zinc/23/53/57/563235357.db2.gz IARHWUUBCSGZBQ-UHFFFAOYSA-N 1 0 383.901 2.851 20 0 GFADRO C[N@H+](Cc1cc(Br)c2c(c1)OCCCO2)[C@@H]1CCN2CCO[C@H]1C2 ZINC000295202829 563235633 /nfs/dbraw/zinc/23/56/33/563235633.db2.gz YXUOMEUSTFXBIX-WBVHZDCISA-N 1 0 397.313 2.515 20 0 GFADRO [NH3+][C@@H](CNC(=O)[C@H]1CCCN1C(=O)c1ccc(Cl)s1)c1ccccc1 ZINC000370193403 563236044 /nfs/dbraw/zinc/23/60/44/563236044.db2.gz JYYZJQCWBCEPHK-UONOGXRCSA-N 1 0 377.897 2.822 20 0 GFADRO COc1cc(C(F)(F)F)cc(S(=O)(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000295214616 563236074 /nfs/dbraw/zinc/23/60/74/563236074.db2.gz AIIPNPBNVRAYTE-YHWZYXNKSA-N 1 0 378.416 2.618 20 0 GFADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+]CCCCCOC ZINC000295243542 563237752 /nfs/dbraw/zinc/23/77/52/563237752.db2.gz SVSWJOAOYOJOTO-CYBMUJFWSA-N 1 0 387.318 2.869 20 0 GFADRO Cc1cc(N2CCC(NC(=O)c3ccc(Br)cc3O)CC2)ncn1 ZINC000370268824 563238560 /nfs/dbraw/zinc/23/85/60/563238560.db2.gz NCEDIWATPWMJGS-UHFFFAOYSA-N 1 0 391.269 2.652 20 0 GFADRO O=C(NC[C@H]1CSCCS1)NC1CC[NH+](Cc2ccccc2F)CC1 ZINC000370324173 563240612 /nfs/dbraw/zinc/24/06/12/563240612.db2.gz VHAOTNRYJDKMPY-INIZCTEOSA-N 1 0 383.558 2.938 20 0 GFADRO O=C(N[C@H]1CCC[N@@H+](CCCO)C1)c1cc(Br)ccc1Cl ZINC000295291955 563240655 /nfs/dbraw/zinc/24/06/55/563240655.db2.gz AMHUIFRHMVYPMD-LBPRGKRZSA-N 1 0 375.694 2.679 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)NC[C@@H](C)c1c(Cl)cccc1Cl ZINC000419517942 563241307 /nfs/dbraw/zinc/24/13/07/563241307.db2.gz MZDBOGTVWITVNF-TYNCELHUSA-N 1 0 386.323 2.941 20 0 GFADRO C[C@H](CNC(=O)C(=O)N[C@@H](C[NH3+])C1CCCC1)c1c(Cl)cccc1Cl ZINC000419522972 563241594 /nfs/dbraw/zinc/24/15/94/563241594.db2.gz VLCRAZVBDIGMFS-ABAIWWIYSA-N 1 0 386.323 2.847 20 0 GFADRO Cc1cc(NC(=O)[C@@H](C)N(C)C[C@H](O)c2ccccc2Br)on1 ZINC000295322232 563241733 /nfs/dbraw/zinc/24/17/33/563241733.db2.gz MDOXKDAOPFSDAC-RISCZKNCSA-N 1 0 382.258 2.738 20 0 GFADRO CC1(C)OCC[C@H]1[NH2+]Cc1nnnn1-c1ccc(Cl)cc1C(F)(F)F ZINC000295312646 563242026 /nfs/dbraw/zinc/24/20/26/563242026.db2.gz VUHVDBKHMQIKQI-GFCCVEGCSA-N 1 0 375.782 2.992 20 0 GFADRO C[C@@H](Cc1c(Cl)cccc1Cl)NC(=O)C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000419581767 563242360 /nfs/dbraw/zinc/24/23/60/563242360.db2.gz BUOVIWKRVQGBFR-KPZWWZAWSA-N 1 0 386.323 2.547 20 0 GFADRO COC(=O)c1ccc(C[N@H+](C)C[C@H](O)c2ccccc2Br)nc1 ZINC000295345071 563243012 /nfs/dbraw/zinc/24/30/12/563243012.db2.gz NSVQJQPEGKVBJP-INIZCTEOSA-N 1 0 379.254 2.796 20 0 GFADRO Cc1nc(NC(=O)N2CCC[C@@H]2C[N@@H+]2CCC[C@@H]2CO)ccc1Br ZINC000370419249 563243322 /nfs/dbraw/zinc/24/33/22/563243322.db2.gz UETJKRWFXNBGHN-ZIAGYGMSSA-N 1 0 397.317 2.606 20 0 GFADRO CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)c3ccc(Br)cc3F)C2)CC1 ZINC000370425413 563243459 /nfs/dbraw/zinc/24/34/59/563243459.db2.gz SLEKKGSKVANIRO-OAHLLOKOSA-N 1 0 398.320 2.829 20 0 GFADRO CC[NH2+]CCNC(=O)C(=O)N[C@H](C)c1ccc(-c2ccc(Cl)cc2)s1 ZINC000419617467 563243967 /nfs/dbraw/zinc/24/39/67/563243967.db2.gz VJZDHZASMAEUNZ-GFCCVEGCSA-N 1 0 379.913 2.971 20 0 GFADRO O=C(NCc1cc(Cl)sc1Cl)C(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000419631232 563244155 /nfs/dbraw/zinc/24/41/55/563244155.db2.gz OAPKPVLDIYAMPR-UHFFFAOYSA-N 1 0 384.288 2.591 20 0 GFADRO CC[NH2+]CC1CCN(C(=O)C(=O)NCc2cc(Cl)sc2Cl)CC1 ZINC000419643174 563244637 /nfs/dbraw/zinc/24/46/37/563244637.db2.gz WVOQISUKZUALEM-UHFFFAOYSA-N 1 0 378.325 2.519 20 0 GFADRO C[C@H](CC(F)(F)F)[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000419680848 563245188 /nfs/dbraw/zinc/24/51/88/563245188.db2.gz HSWLYUQPMLOBPB-SSDOTTSWSA-N 1 0 375.210 2.527 20 0 GFADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)Cc2cc[nH]c(=O)c2Br)C1 ZINC000278253675 563246713 /nfs/dbraw/zinc/24/67/13/563246713.db2.gz ZDTSMIPPCBRANT-OKILXGFUSA-N 1 0 398.345 2.967 20 0 GFADRO CN(C)[C@H](C[NH2+]C1CCN(S(=O)(=O)c2cccs2)CC1)c1cccs1 ZINC000370573406 563248700 /nfs/dbraw/zinc/24/87/00/563248700.db2.gz DSZRBJQPQPOLHT-OAHLLOKOSA-N 1 0 399.607 2.855 20 0 GFADRO CC[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)N1C[C@H](C[NH3+])C[C@@H]1C ZINC000419745950 563249133 /nfs/dbraw/zinc/24/91/33/563249133.db2.gz BFXMRHKCYPKWCT-SLEUVZQESA-N 1 0 386.323 2.626 20 0 GFADRO COc1ccc(Br)c(C(=O)NCCC[NH2+]C[C@@H]2CCSC2)c1 ZINC000278343939 563250973 /nfs/dbraw/zinc/25/09/73/563250973.db2.gz HBLXBIYZEIIVLT-LBPRGKRZSA-N 1 0 387.343 2.920 20 0 GFADRO Brc1cncnc1Sc1nnc(C2CC[NH2+]CC2)n1C1CC1 ZINC000370654890 563251415 /nfs/dbraw/zinc/25/14/15/563251415.db2.gz YOFWZRLGOSQYOF-UHFFFAOYSA-N 1 0 381.303 2.784 20 0 GFADRO C[C@@H](C[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1)CC(F)(F)F ZINC000419825208 563251818 /nfs/dbraw/zinc/25/18/18/563251818.db2.gz UZYBDIPVTDVMQE-MRVPVSSYSA-N 1 0 389.237 2.775 20 0 GFADRO O=C(NC[C@H]1CCC[NH2+]C1)C(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000419877606 563252534 /nfs/dbraw/zinc/25/25/34/563252534.db2.gz FVWVHUCAHCZHIM-LRDDRELGSA-N 1 0 384.307 2.773 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H](NC(=O)C(=O)N(Cc2ccc(Cl)c(Cl)c2)C2CC2)C1 ZINC000419900770 563252561 /nfs/dbraw/zinc/25/25/61/563252561.db2.gz SYNULQWLEAITAE-CHWSQXEVSA-N 1 0 384.307 2.871 20 0 GFADRO C[C@@H]1c2cc(Cl)c(Cl)cc2CCN1C(=O)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000419948698 563253781 /nfs/dbraw/zinc/25/37/81/563253781.db2.gz KMUKGHBOQRLJCW-DGCLKSJQSA-N 1 0 384.307 2.697 20 0 GFADRO C[NH+](C)CC[C@](C)(O)CNC(=O)CCc1cc(Cl)ccc1Br ZINC000420012223 563256066 /nfs/dbraw/zinc/25/60/66/563256066.db2.gz IQJMEPMVQCCZQX-INIZCTEOSA-N 1 0 391.737 2.854 20 0 GFADRO CN(C(=O)c1csc(Br)c1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000370829847 563257098 /nfs/dbraw/zinc/25/70/98/563257098.db2.gz JNEASALDHCCIQW-CQSZACIVSA-N 1 0 386.359 2.751 20 0 GFADRO C[NH+](C)CC[C@](C)(O)CNC(=O)CCCc1ccc(Br)s1 ZINC000420044971 563257320 /nfs/dbraw/zinc/25/73/20/563257320.db2.gz QIMPQWWZIFOQOL-HNNXBMFYSA-N 1 0 377.348 2.652 20 0 GFADRO Cc1cc(Br)oc1C(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000370836837 563257677 /nfs/dbraw/zinc/25/76/77/563257677.db2.gz BQZJWHWDMVFAPJ-CQSZACIVSA-N 1 0 384.318 2.591 20 0 GFADRO Cc1cc(Br)c(C[NH2+]C[C@@H]2CCN(S(C)(=O)=O)C2)cc1Cl ZINC000295705542 563258611 /nfs/dbraw/zinc/25/86/11/563258611.db2.gz MOZIAGXVPNEEJP-NSHDSACASA-N 1 0 395.750 2.782 20 0 GFADRO C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)C(=O)NCCC1=CC[NH2+]CC1 ZINC000420160012 563258631 /nfs/dbraw/zinc/25/86/31/563258631.db2.gz DCRWQLJLYFUOTI-GFCCVEGCSA-N 1 0 384.307 2.939 20 0 GFADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NCc1ccc(Br)cc1 ZINC000278516612 563260234 /nfs/dbraw/zinc/26/02/34/563260234.db2.gz XJQUSUPDOWENPI-AWEZNQCLSA-N 1 0 396.329 2.844 20 0 GFADRO Brc1ccc(-c2nc(CN3CC[C@@H](N4CC[NH2+]CC4)C3)co2)cc1 ZINC000420347530 563262115 /nfs/dbraw/zinc/26/21/15/563262115.db2.gz HDXIMDMGHAVXHD-QGZVFWFLSA-N 1 0 391.313 2.584 20 0 GFADRO C[C@H](NC(=O)CN1CCC[C@@]2(CC[NH2+]C2)C1)c1ccc(Br)cc1 ZINC000420374375 563262819 /nfs/dbraw/zinc/26/28/19/563262819.db2.gz NRFBPPAZFXSJHP-KSSFIOAISA-N 1 0 380.330 2.702 20 0 GFADRO C[NH+](C)C1(CNC(=O)N[C@H]2COc3c2ccc(Cl)c3Cl)CCOCC1 ZINC000371057511 563263544 /nfs/dbraw/zinc/26/35/44/563263544.db2.gz WIKCNNDQGZIGOY-ZDUSSCGKSA-N 1 0 388.295 2.837 20 0 GFADRO [NH3+]CCC[C@@H](NS(=O)(=O)c1ccc(Br)cn1)c1ccccc1 ZINC000420461077 563264626 /nfs/dbraw/zinc/26/46/26/563264626.db2.gz LQZMBKKYQWZIAG-CQSZACIVSA-N 1 0 384.299 2.603 20 0 GFADRO O=S(=O)(c1ccc(F)cc1C(F)(F)F)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420471143 563265357 /nfs/dbraw/zinc/26/53/57/563265357.db2.gz XWZNODSXCRPCQF-FZMZJTMJSA-N 1 0 380.407 2.997 20 0 GFADRO C[C@H]1CN(C(=O)c2ccc(F)cc2Br)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000371216639 563269002 /nfs/dbraw/zinc/26/90/02/563269002.db2.gz AMKROZQMEDSRKS-GUYCJALGSA-N 1 0 398.320 2.686 20 0 GFADRO CN(C)c1ncc(Br)cc1C(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000371233653 563269156 /nfs/dbraw/zinc/26/91/56/563269156.db2.gz ZRUWUKQEGJPLEF-DOMZBBRYSA-N 1 0 381.318 2.514 20 0 GFADRO O=C(NC[C@@H]1CCC[C@H]1[NH+]1CCOCC1)[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000371268366 563269743 /nfs/dbraw/zinc/26/97/43/563269743.db2.gz JNXIUGXWAPAKJH-JCURWCKSSA-N 1 0 387.307 2.644 20 0 GFADRO CC(C)C(=O)NCCCNC(=O)C1CC[NH+](Cc2ccc(Cl)s2)CC1 ZINC000371267292 563270038 /nfs/dbraw/zinc/27/00/38/563270038.db2.gz AOVOUIXWYYKNRS-UHFFFAOYSA-N 1 0 385.961 2.892 20 0 GFADRO O=S(=O)(NC[C@H]1CC[N@@H+](C2CC2)C1)c1cc(Cl)ccc1OC(F)F ZINC000420659589 563270620 /nfs/dbraw/zinc/27/06/20/563270620.db2.gz WNVCLIQXFADDJQ-SNVBAGLBSA-N 1 0 380.844 2.704 20 0 GFADRO Cn1ncc(Br)c1CNC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000278796324 563270577 /nfs/dbraw/zinc/27/05/77/563270577.db2.gz RCCNWNSPRIQXSB-INIZCTEOSA-N 1 0 393.329 2.563 20 0 GFADRO Cc1ccc(F)c(C(=O)Nc2ccc(=O)n(CC[NH+](C)C)c2)c1Br ZINC000278812162 563271577 /nfs/dbraw/zinc/27/15/77/563271577.db2.gz SHPCRMXUOCKIIG-UHFFFAOYSA-N 1 0 396.260 2.872 20 0 GFADRO O=S(=O)(CC[NH2+][C@H]1CCCc2nc(Cl)ccc21)NCc1ccccc1 ZINC000296057301 563272753 /nfs/dbraw/zinc/27/27/53/563272753.db2.gz RLEDYGZHGMSBLP-INIZCTEOSA-N 1 0 379.913 2.822 20 0 GFADRO C[N@H+]1CC=C(CNC(=O)N[C@H]2CCN(c3cccc(Br)c3)C2)CC1 ZINC000278866740 563274380 /nfs/dbraw/zinc/27/43/80/563274380.db2.gz FJNHJHCJUIYUCO-INIZCTEOSA-N 1 0 393.329 2.589 20 0 GFADRO CN(CCC[NH+]1CCCC1)C(=O)c1cccnc1-n1cc(Br)cn1 ZINC000296095821 563274690 /nfs/dbraw/zinc/27/46/90/563274690.db2.gz GAFIFFLSDJGYAF-UHFFFAOYSA-N 1 0 392.301 2.588 20 0 GFADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)c1cc(F)ccc1Br ZINC000278891313 563274952 /nfs/dbraw/zinc/27/49/52/563274952.db2.gz QIUGCNQHAJUSCW-LBPRGKRZSA-N 1 0 385.277 2.914 20 0 GFADRO CC[C@H](NC(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1cccs1)[C@H](O)C(F)(F)F ZINC000371384052 563276033 /nfs/dbraw/zinc/27/60/33/563276033.db2.gz IGCHPIBLQOFYMQ-VTPLQMEGSA-N 1 0 379.448 2.742 20 0 GFADRO Cc1sc(Br)nc1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cn1 ZINC000278938161 563276672 /nfs/dbraw/zinc/27/66/72/563276672.db2.gz UGSXDGDIUSCLAU-UHFFFAOYSA-N 1 0 396.314 2.613 20 0 GFADRO C[C@H](NC(=O)[C@H](C)[N@@H+]1CC[C@]2(CNC(=O)C2)C1)c1ccc(Cl)cc1Cl ZINC000278930015 563277014 /nfs/dbraw/zinc/27/70/14/563277014.db2.gz SNXDGGKYPCJNMH-PZROIBLQSA-N 1 0 384.307 2.771 20 0 GFADRO CC[C@H](C)[NH+]1CCN(CC(=O)N(C)Cc2ccccc2Br)CC1 ZINC000296184122 563277175 /nfs/dbraw/zinc/27/71/75/563277175.db2.gz UOQCMNHPLRKHOE-HNNXBMFYSA-N 1 0 382.346 2.824 20 0 GFADRO O=C(CC[NH2+][C@H](c1cc(Cl)ccc1Cl)[C@H]1CCOC1)N1CCOCC1 ZINC000371480544 563278370 /nfs/dbraw/zinc/27/83/70/563278370.db2.gz PARCHPIWVGRTNG-UGSOOPFHSA-N 1 0 387.307 2.910 20 0 GFADRO C[N@H+](C[C@@H](O)c1cccc(Br)c1)C[C@H]1CCCN1c1cccnn1 ZINC000371550244 563281407 /nfs/dbraw/zinc/28/14/07/563281407.db2.gz GODSIJUAUDGOMV-IAGOWNOFSA-N 1 0 391.313 2.873 20 0 GFADRO Cc1nn(C)c(C[NH2+]C[C@@H]2CC(=O)N(Cc3ccccc3)C2)c1Br ZINC000279101240 563283827 /nfs/dbraw/zinc/28/38/27/563283827.db2.gz JISIXJLIVSCESY-HNNXBMFYSA-N 1 0 391.313 2.629 20 0 GFADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC000296369281 563285077 /nfs/dbraw/zinc/28/50/77/563285077.db2.gz SNNMOWGYNVCVPQ-PXAZEXFGSA-N 1 0 387.307 2.739 20 0 GFADRO C[C@H]([NH2+]CCN1C(=O)CNC1=O)c1nc(-c2ccc(F)c(Cl)c2)cs1 ZINC000371822173 563288946 /nfs/dbraw/zinc/28/89/46/563288946.db2.gz HSMJKCOSFQOZNB-VIFPVBQESA-N 1 0 382.848 2.805 20 0 GFADRO CC[C@@H]1CCC[C@H]1[NH2+]CC(=O)NCC(=O)Nc1ccccc1Br ZINC000279245929 563289317 /nfs/dbraw/zinc/28/93/17/563289317.db2.gz KQNLMIBBWZTYMB-TZMCWYRMSA-N 1 0 382.302 2.672 20 0 GFADRO O=C(Cc1cccc(I)c1)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000371932979 563291624 /nfs/dbraw/zinc/29/16/24/563291624.db2.gz FMGUYDLUMILTOJ-CABCVRRESA-N 1 0 384.261 2.577 20 0 GFADRO COc1nccc(C[NH2+]C[C@H]2CCN(c3ccc(Br)cc3)C2)n1 ZINC000296580117 563292722 /nfs/dbraw/zinc/29/27/22/563292722.db2.gz WTSOTXLKCNRWEV-CYBMUJFWSA-N 1 0 377.286 2.864 20 0 GFADRO CNC(=O)[C@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)C1 ZINC000420980532 563292982 /nfs/dbraw/zinc/29/29/82/563292982.db2.gz UVPDSEPYRMZKCH-ZJUUUORDSA-N 1 0 377.794 2.754 20 0 GFADRO CN(C)C(=O)O[C@@H]1CC[N@H+](CCC(=O)Nc2ccccc2Br)C1 ZINC000296583001 563293454 /nfs/dbraw/zinc/29/34/54/563293454.db2.gz DYXDOYGRKLMWRK-GFCCVEGCSA-N 1 0 384.274 2.550 20 0 GFADRO C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)N(C)C[C@H]1CCC[N@@H+]1C ZINC000420994013 563293450 /nfs/dbraw/zinc/29/34/50/563293450.db2.gz BQVSXRHVTSGZES-RHSMWYFYSA-N 1 0 382.346 2.822 20 0 GFADRO CC[C@H](C)[C@@H](C[NH2+][C@H](C)c1ccc(Br)c(S(N)(=O)=O)c1)OC ZINC000296595220 563293616 /nfs/dbraw/zinc/29/36/16/563293616.db2.gz VGBZCXZSTIIAQZ-MISXGVKJSA-N 1 0 393.347 2.808 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)C[N@H+](C)C[C@@H]1CCNC(=O)CC1 ZINC000296625876 563295029 /nfs/dbraw/zinc/29/50/29/563295029.db2.gz VJTHIARUJMMBCD-ZDUSSCGKSA-N 1 0 382.302 2.544 20 0 GFADRO Cc1nc(CC[NH2+]C2CCN(S(=O)(=O)c3cccs3)CC2)sc1C ZINC000372059689 563295010 /nfs/dbraw/zinc/29/50/10/563295010.db2.gz KAOAGZOVZWDGCB-UHFFFAOYSA-N 1 0 385.580 2.807 20 0 GFADRO C[C@H](NC(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(Br)cn1 ZINC000279606494 563302882 /nfs/dbraw/zinc/30/28/82/563302882.db2.gz IYLJLWSTGZDCLZ-MJBXVCDLSA-N 1 0 399.333 2.704 20 0 GFADRO CCOc1ccnc(N2CCCN(Cc3cnc(Br)s3)CC2)n1 ZINC000296827594 563303673 /nfs/dbraw/zinc/30/36/73/563303673.db2.gz RJJXUAZNXUSPSG-UHFFFAOYSA-N 1 0 398.330 2.807 20 0 GFADRO Cc1ccc(C[NH2+][C@@H](C)CC(=O)Nc2ccc(Br)cc2)c(=O)n1C ZINC000279634771 563304194 /nfs/dbraw/zinc/30/41/94/563304194.db2.gz ZPOWSSIPDGXNOZ-LBPRGKRZSA-N 1 0 392.297 2.963 20 0 GFADRO CC(C)[NH+]1CCC(O)(CNC(=O)NCc2cc(F)c(Cl)cc2F)CC1 ZINC000279653757 563304724 /nfs/dbraw/zinc/30/47/24/563304724.db2.gz BTTCBOXKXLYVDF-UHFFFAOYSA-N 1 0 375.847 2.653 20 0 GFADRO COCCOC[C@H](O)C[NH+]1CCC(OCc2ccc(Cl)c(Cl)c2)CC1 ZINC000296855164 563304838 /nfs/dbraw/zinc/30/48/38/563304838.db2.gz UOXDSXYPQOXLCN-OAHLLOKOSA-N 1 0 392.323 2.998 20 0 GFADRO O=C(Cc1cccc(I)c1)N1CCCC2(CC[NH2+]CC2)C1 ZINC000372431425 563306483 /nfs/dbraw/zinc/30/64/83/563306483.db2.gz MPVSLMBHBBOZHT-UHFFFAOYSA-N 1 0 398.288 2.826 20 0 GFADRO Brc1cnc(C[NH2+][C@H]2CCc3c[nH]nc3C2)c(Br)c1 ZINC000372478680 563307962 /nfs/dbraw/zinc/30/79/62/563307962.db2.gz VNEXVXUWGZCAKQ-JTQLQIEISA-N 1 0 386.091 2.977 20 0 GFADRO CN1CCC[C@]2(CC[N@H+](C[C@H](O)c3ccc(F)c(Br)c3)C2)C1=O ZINC000372549337 563310612 /nfs/dbraw/zinc/31/06/12/563310612.db2.gz YXFYXGDBGZDKTE-DOTOQJQBSA-N 1 0 385.277 2.566 20 0 GFADRO CS(=O)(=O)c1ccc(C(=O)NC[C@H]2CCC[N@@H+]2CC2CCCCC2)s1 ZINC000421458348 563311582 /nfs/dbraw/zinc/31/15/82/563311582.db2.gz LJJRHBBJRNCZPN-OAHLLOKOSA-N 1 0 384.567 2.926 20 0 GFADRO Cc1ccc(NC(=O)c2ccc(S(C)(=O)=O)s2)c(OCC[NH+](C)C)c1 ZINC000421471155 563312597 /nfs/dbraw/zinc/31/25/97/563312597.db2.gz IVIOVAWISMIDBF-UHFFFAOYSA-N 1 0 382.507 2.653 20 0 GFADRO CC(C)[NH+]1CCN([C@H]2CCN(C(=O)[C@@H]3SCCc4sccc43)C2)CC1 ZINC000372743287 563316105 /nfs/dbraw/zinc/31/61/05/563316105.db2.gz VTAAEZOLDMIVEO-MAUKXSAKSA-N 1 0 379.595 2.705 20 0 GFADRO CCOC(=O)Cc1cnc(NC(=O)NC[C@H](c2ccsc2)[NH+](C)C)s1 ZINC000297111690 563316141 /nfs/dbraw/zinc/31/61/41/563316141.db2.gz CPAQOLVQQIOXKL-CYBMUJFWSA-N 1 0 382.511 2.735 20 0 GFADRO CN(C(=O)C[C@H]1CSCC[NH2+]1)[C@H](c1ccc(Cl)cc1)c1ncccn1 ZINC000372769954 563316578 /nfs/dbraw/zinc/31/65/78/563316578.db2.gz QILLXVPTSVYJQU-DOTOQJQBSA-N 1 0 376.913 2.773 20 0 GFADRO O=C(c1ccc(Oc2cccc(Cl)c2Cl)nn1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000279959239 563316568 /nfs/dbraw/zinc/31/65/68/563316568.db2.gz INGXWJUHQLAWAN-PHIMTYICSA-N 1 0 379.247 2.867 20 0 GFADRO CCS(=O)(=O)CCCCC[NH+]1CCC(n2cc(Br)cn2)CC1 ZINC000372756101 563316753 /nfs/dbraw/zinc/31/67/53/563316753.db2.gz JJHYXCZTNLYFAX-UHFFFAOYSA-N 1 0 392.363 2.888 20 0 GFADRO C[C@@H]([NH2+]CCCCn1cc(Br)cn1)c1ccc(-n2cnnn2)cc1 ZINC000279992217 563317682 /nfs/dbraw/zinc/31/76/82/563317682.db2.gz FJJFQEOOHQJWJL-CYBMUJFWSA-N 1 0 390.289 2.752 20 0 GFADRO Cc1nc2ccc(Br)cn2c1C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000279994036 563317874 /nfs/dbraw/zinc/31/78/74/563317874.db2.gz SFXXRCJRALXZOM-LBPRGKRZSA-N 1 0 377.286 2.619 20 0 GFADRO O=C(NCc1ccc(O)c(Br)c1)NC1CC[NH+](C2CCC2)CC1 ZINC000297169699 563318328 /nfs/dbraw/zinc/31/83/28/563318328.db2.gz VHJBRCICAJFURB-UHFFFAOYSA-N 1 0 382.302 2.971 20 0 GFADRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)c1ccccc1-n1cc(Br)cn1 ZINC000421711080 563319298 /nfs/dbraw/zinc/31/92/98/563319298.db2.gz NQOQKYWWRWOAHY-CQSZACIVSA-N 1 0 377.286 2.801 20 0 GFADRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)c1cn(Cc2ccc(Cl)cc2Cl)nn1 ZINC000421708753 563319788 /nfs/dbraw/zinc/31/97/88/563319788.db2.gz ATFARVOEQZNKQK-CQSZACIVSA-N 1 0 382.295 2.799 20 0 GFADRO Cc1cc(Br)cn2cc(CNC(=O)C3CC[NH+](C4CC4)CC3)nc12 ZINC000280066903 563320827 /nfs/dbraw/zinc/32/08/27/563320827.db2.gz BLHNGPKRXKUHLG-UHFFFAOYSA-N 1 0 391.313 2.896 20 0 GFADRO O=C([C@@H]1CCN(c2cc(Cl)ccc2Cl)C1=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000372958714 563323456 /nfs/dbraw/zinc/32/34/56/563323456.db2.gz PHTPWGUGWJFAAY-ZLDLUXBVSA-N 1 0 382.291 2.557 20 0 GFADRO Cc1cc(C)c(C(=O)N2CC[C@@H](C[NH+](C)C)C2)cc1I ZINC000280129508 563323612 /nfs/dbraw/zinc/32/36/12/563323612.db2.gz MLAXLXDNNATOGL-ZDUSSCGKSA-N 1 0 386.277 2.932 20 0 GFADRO C[C@H]([NH2+]CC1(CC(N)=O)CC1)c1ccc(F)c(I)c1 ZINC000421895407 563323846 /nfs/dbraw/zinc/32/38/46/563323846.db2.gz YMORZNFJIVCKBI-VIFPVBQESA-N 1 0 376.213 2.737 20 0 GFADRO C[C@H]1[C@H](NC(=O)c2ccc(S(C)(=O)=O)s2)CCN1Cc1ccccc1 ZINC000421910746 563323897 /nfs/dbraw/zinc/32/38/97/563323897.db2.gz QJDNTBYPCMGBFX-DZGCQCFKSA-N 1 0 378.519 2.544 20 0 GFADRO Cc1nc2ccc(Br)cn2c1C(=O)N1CC[C@@H]2CC[N@@H+](C)[C@H]2C1 ZINC000372986329 563324828 /nfs/dbraw/zinc/32/48/28/563324828.db2.gz ZNGCJUHSRKWGGX-JSGCOSHPSA-N 1 0 377.286 2.571 20 0 GFADRO O=C(Nc1ccc(OC(F)F)c(Cl)c1)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000297393623 563325836 /nfs/dbraw/zinc/32/58/36/563325836.db2.gz HKXNSYKDDBVIQB-LBPRGKRZSA-N 1 0 377.819 2.910 20 0 GFADRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)[C@H]1CCN(c2cc(Cl)ccc2Cl)C1=O ZINC000422018686 563328171 /nfs/dbraw/zinc/32/81/71/563328171.db2.gz JIMGPEPGDZDOEV-UONOGXRCSA-N 1 0 384.307 2.899 20 0 GFADRO O=C(Nc1ccc(Cl)cn1)C(=O)NC1CC[NH+](Cc2ccsc2)CC1 ZINC000373155174 563330208 /nfs/dbraw/zinc/33/02/08/563330208.db2.gz YCZKLUVWUPGZBX-UHFFFAOYSA-N 1 0 378.885 2.516 20 0 GFADRO COC(=O)c1cc(NC(=O)N2CC[C@@H]3CC[N@H+](C)[C@@H]3C2)ccc1Br ZINC000373183799 563331468 /nfs/dbraw/zinc/33/14/68/563331468.db2.gz AAHUZFIUJRAYGQ-XHDPSFHLSA-N 1 0 396.285 2.794 20 0 GFADRO CSc1ccc([C@@H](CNC(=O)NC[C@](C)(O)C(F)(F)F)[NH+](C)C)cc1 ZINC000297634506 563331525 /nfs/dbraw/zinc/33/15/25/563331525.db2.gz YPUFXLBLIPFFRJ-HIFRSBDPSA-N 1 0 379.448 2.624 20 0 GFADRO C[NH+](C)CCOCCNC(=O)N1CCC[C@H]1Cc1ccccc1Br ZINC000422185080 563332871 /nfs/dbraw/zinc/33/28/71/563332871.db2.gz PEMQJCDIPFILAF-INIZCTEOSA-N 1 0 398.345 2.744 20 0 GFADRO C[NH+]1CCC(n2ccc(NC(=O)c3ccc(Br)c(F)c3)n2)CC1 ZINC000373294161 563334169 /nfs/dbraw/zinc/33/41/69/563334169.db2.gz WWMPAJYLCFSAAQ-UHFFFAOYSA-N 1 0 381.249 3.304 20 0 GFADRO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000297788711 563335858 /nfs/dbraw/zinc/33/58/58/563335858.db2.gz JGGIMCHBGSQPOB-SFHVURJKSA-N 1 0 384.307 2.506 20 0 GFADRO Cc1cc(Br)ccc1C(=O)N1CCC([NH2+]C2(CO)CCC2)CC1 ZINC000373396183 563336961 /nfs/dbraw/zinc/33/69/61/563336961.db2.gz XTHUHYBXGRPZHS-UHFFFAOYSA-N 1 0 381.314 2.867 20 0 GFADRO CC[C@H]([NH2+]C[C@@](C)(O)C(F)(F)F)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000280439086 563337541 /nfs/dbraw/zinc/33/75/41/563337541.db2.gz CMBIFVXIWPGRTH-WCQYABFASA-N 1 0 388.839 2.602 20 0 GFADRO Cc1nc2ccc(Br)cn2c1C(=O)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000373473698 563339161 /nfs/dbraw/zinc/33/91/61/563339161.db2.gz JETVNGODQPPPIC-AWEZNQCLSA-N 1 0 377.286 2.716 20 0 GFADRO CCS(=O)(=O)c1ccc(CNC(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)s1 ZINC000280494170 563339860 /nfs/dbraw/zinc/33/98/60/563339860.db2.gz VXFFNPZINYWEDP-AWEZNQCLSA-N 1 0 387.571 2.558 20 0 GFADRO CN(Cc1ccc(Cl)s1)C(=O)C(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000297936634 563340367 /nfs/dbraw/zinc/34/03/67/563340367.db2.gz VDFRXCJWSDCDOL-AWEZNQCLSA-N 1 0 383.945 2.550 20 0 GFADRO Cc1nn(C)c2ncc(C[NH2+]CCCCn3cc(Br)cn3)cc12 ZINC000280513763 563341292 /nfs/dbraw/zinc/34/12/92/563341292.db2.gz HAVBAJHGSHRDID-UHFFFAOYSA-N 1 0 377.290 2.806 20 0 GFADRO C[C@@H]1CN(C(=O)NCCc2nc(C(F)(F)F)cs2)CC[N@@H+](C2CC2)C1 ZINC000298024093 563342261 /nfs/dbraw/zinc/34/22/61/563342261.db2.gz RRTYABOOESQGFC-NSHDSACASA-N 1 0 376.448 2.830 20 0 GFADRO C[C@@H]1C[C@@H](C)N(S(=O)(=O)c2cc(F)c(Br)cc2F)C[C@@H]1C[NH3+] ZINC000422553762 563342781 /nfs/dbraw/zinc/34/27/81/563342781.db2.gz KOFMBGIROAREOM-BBBLOLIVSA-N 1 0 397.285 2.721 20 0 GFADRO C[C@@H]1C[C@H](C)N(S(=O)(=O)c2cccc(Br)c2F)C[C@H]1C[NH3+] ZINC000422555871 563342872 /nfs/dbraw/zinc/34/28/72/563342872.db2.gz REWFFDSUGVVYLY-OUAUKWLOSA-N 1 0 379.295 2.582 20 0 GFADRO CCCc1cc(C(=O)N(CCC[NH+](C)C)[C@@H]2CCS(=O)(=O)C2)sc1C ZINC000298163273 563346245 /nfs/dbraw/zinc/34/62/45/563346245.db2.gz NTRDBBNXSKBNQS-MRXNPFEDSA-N 1 0 386.583 2.590 20 0 GFADRO C[N@H+](CCCO)C1CCN(S(=O)(=O)c2c(Cl)cc(F)cc2Cl)CC1 ZINC000280662698 563348552 /nfs/dbraw/zinc/34/85/52/563348552.db2.gz XNRHQWIUJGBDLB-UHFFFAOYSA-N 1 0 399.315 2.600 20 0 GFADRO CCOC(=O)[C@@H]1NCC[C@H]1[NH2+]CC1(c2ccc(Br)cc2)CCC1 ZINC000422742050 563348899 /nfs/dbraw/zinc/34/88/99/563348899.db2.gz QZCQBRYKXHMCNF-HZPDHXFCSA-N 1 0 381.314 2.754 20 0 GFADRO CCN(CC)S(=O)(=O)c1cc(NC(=O)[C@H](C(C)C)[C@H](C)[NH3+])ccc1Cl ZINC000422922520 563350512 /nfs/dbraw/zinc/35/05/12/563350512.db2.gz TUCAHTINCMTTHZ-BLLLJJGKSA-N 1 0 389.949 2.928 20 0 GFADRO O=C(Nc1ccc(I)cc1)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000422906809 563350702 /nfs/dbraw/zinc/35/07/02/563350702.db2.gz KLFQAFVZDYYYEU-AWEZNQCLSA-N 1 0 396.232 2.665 20 0 GFADRO CCN(CC)S(=O)(=O)c1cc(NC(=O)[C@H]2C[C@H](C)CC[NH2+]2)ccc1Cl ZINC000422922965 563350739 /nfs/dbraw/zinc/35/07/39/563350739.db2.gz UUWKGSOPEFRRGR-IUODEOHRSA-N 1 0 387.933 2.697 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)[C@H](C(C)C)[C@@H](C)[NH3+] ZINC000422930645 563350824 /nfs/dbraw/zinc/35/08/24/563350824.db2.gz VIUFGEJUVLDFLJ-MLGOLLRUSA-N 1 0 384.318 2.774 20 0 GFADRO C[NH2+]CCC1CCN(C(=O)C(=O)N(C)Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000422998764 563352238 /nfs/dbraw/zinc/35/22/38/563352238.db2.gz DFXAQVCRQBILBU-UHFFFAOYSA-N 1 0 386.323 2.800 20 0 GFADRO CN(Cc1ccc(Cl)s1)C(=O)C(=O)N1CCC([C@H]2[NH2+]CC2(C)C)CC1 ZINC000423020626 563353317 /nfs/dbraw/zinc/35/33/17/563353317.db2.gz CGFZXZSICDAOKJ-OAHLLOKOSA-N 1 0 383.945 2.597 20 0 GFADRO C[C@H](C[C@H]1COCCN1)[NH2+]CCCOc1ncc(C(F)(F)F)cc1Cl ZINC000423015087 563353371 /nfs/dbraw/zinc/35/33/71/563353371.db2.gz QJYNSXCRTMHBPR-YPMHNXCESA-N 1 0 381.826 2.879 20 0 GFADRO C[C@@H]([NH2+][C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1)c1cccnc1 ZINC000280785576 563353673 /nfs/dbraw/zinc/35/36/73/563353673.db2.gz SOCBXKNFKGCJNA-WDEREUQCSA-N 1 0 384.299 2.903 20 0 GFADRO CN(C[C@H](O)c1cccc(Br)c1)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000298398960 563353836 /nfs/dbraw/zinc/35/38/36/563353836.db2.gz VPVHNOMHZNXMOO-GUYCJALGSA-N 1 0 396.329 2.608 20 0 GFADRO CC(C)[C@H](CNC(=O)Nc1cccc(Br)c1)[NH+]1CCN(C)CC1 ZINC000298423906 563354795 /nfs/dbraw/zinc/35/47/95/563354795.db2.gz WOHZICJPIITNBY-INIZCTEOSA-N 1 0 383.334 2.843 20 0 GFADRO C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000423085981 563354846 /nfs/dbraw/zinc/35/48/46/563354846.db2.gz LCKFLXAXMYGEAZ-HSMVNMDESA-N 1 0 384.307 2.723 20 0 GFADRO Cc1cc(Br)cc(C)c1N1CCC[C@H](N[C@@H](C)C2C[NH2+]C2)C1=O ZINC000423102938 563355252 /nfs/dbraw/zinc/35/52/52/563355252.db2.gz FQONFFRPIFLGSH-BBRMVZONSA-N 1 0 380.330 2.759 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1cnn(-c2ccc(Br)cc2)c1 ZINC000373929397 563355624 /nfs/dbraw/zinc/35/56/24/563355624.db2.gz OQJSTHOICUDOQS-WBVHZDCISA-N 1 0 389.297 2.991 20 0 GFADRO C[C@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000423109549 563355721 /nfs/dbraw/zinc/35/57/21/563355721.db2.gz HQAQOKNHJRQMAF-MRVWCRGKSA-N 1 0 384.307 2.581 20 0 GFADRO C[C@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000423110730 563355950 /nfs/dbraw/zinc/35/59/50/563355950.db2.gz ILJKODHVJUPLHT-FFSVYQOJSA-N 1 0 384.307 2.723 20 0 GFADRO CCOC(=O)[C@@H]1NCC[C@@H]1[NH2+]CC1(c2ccc(Br)s2)CCC1 ZINC000423113127 563356270 /nfs/dbraw/zinc/35/62/70/563356270.db2.gz YMGDLMXPNSETKY-SMDDNHRTSA-N 1 0 387.343 2.816 20 0 GFADRO Cc1c([C@@H](C)NC[C@@H]2CCC[NH2+]C2)nnn1-c1cccc(Br)c1 ZINC000423207035 563358541 /nfs/dbraw/zinc/35/85/41/563358541.db2.gz GKPVUKBJPVCCMT-TZMCWYRMSA-N 1 0 378.318 2.988 20 0 GFADRO CCn1ccnc1[C@@H](N[C@@H]1CC[NH2+]C1)c1ccc(I)cc1 ZINC000423219075 563358680 /nfs/dbraw/zinc/35/86/80/563358680.db2.gz VUOHBQFTMYWLOZ-CABCVRRESA-N 1 0 396.276 2.549 20 0 GFADRO Fc1ccc([C@@H](NCCN2CC[NH2+]CC2)c2ccc(Br)o2)cc1 ZINC000423209788 563358707 /nfs/dbraw/zinc/35/87/07/563358707.db2.gz VQFMQSRKHVGPPI-QGZVFWFLSA-N 1 0 382.277 2.765 20 0 GFADRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N1CCc2c(Cl)c(Cl)ccc2C1 ZINC000423237218 563359394 /nfs/dbraw/zinc/35/93/94/563359394.db2.gz PRAQSHVRKFROHD-HNNXBMFYSA-N 1 0 386.323 2.710 20 0 GFADRO CCn1ccnc1[C@H](NCC(C)(C)[NH3+])c1ccc(I)cc1 ZINC000423286342 563359662 /nfs/dbraw/zinc/35/96/62/563359662.db2.gz GQGLDFHFERFOAV-CQSZACIVSA-N 1 0 398.292 2.924 20 0 GFADRO Cc1c([C@H](C)N[C@H]2CC[NH2+]C[C@@H]2C)nnn1-c1cccc(Br)c1 ZINC000423361362 563360682 /nfs/dbraw/zinc/36/06/82/563360682.db2.gz AFIBQRIIWBXUFC-MKBNYLNASA-N 1 0 378.318 2.987 20 0 GFADRO O=C(CC[N@@H+]1CCS[C@H]2COCC[C@H]21)Nc1ccccc1Br ZINC000298596707 563361342 /nfs/dbraw/zinc/36/13/42/563361342.db2.gz KWFSZYKFZXQFGA-CABCVRRESA-N 1 0 385.327 2.984 20 0 GFADRO [NH3+][C@@H]1C[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1ccc(Cl)c(Br)c1 ZINC000374087284 563361417 /nfs/dbraw/zinc/36/14/17/563361417.db2.gz BPVUHSCHPIQSRC-OWUUHHOZSA-N 1 0 379.707 2.745 20 0 GFADRO Brc1cccc([C@@H](NC[C@@H]2C[NH2+]CCCO2)C2CCOCC2)c1 ZINC000423489209 563361389 /nfs/dbraw/zinc/36/13/89/563361389.db2.gz FOQRAWICUCPNNE-ROUUACIJSA-N 1 0 383.330 2.885 20 0 GFADRO C[C@H]1c2cc(Cl)cc(Cl)c2CCN1C(=O)C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000423545128 563361930 /nfs/dbraw/zinc/36/19/30/563361930.db2.gz OTZSATIRBYQBLC-VOJFVSQTSA-N 1 0 384.307 2.636 20 0 GFADRO C[NH2+]C[C@H]1CCN(C(=O)C(=O)N2CCc3cc(Cl)cc(Cl)c3[C@H]2C)C1 ZINC000423547379 563362183 /nfs/dbraw/zinc/36/21/83/563362183.db2.gz GBCCOWATCNVGMB-VXGBXAGGSA-N 1 0 384.307 2.507 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)N(C)[C@@H](C)c2ccccc2Br)C1 ZINC000423564524 563362189 /nfs/dbraw/zinc/36/21/89/563362189.db2.gz OXNWLWGSHDFQFB-IHRRRGAJSA-N 1 0 396.329 2.554 20 0 GFADRO C[C@H](NC[C@@H]1C[NH2+]CCO1)c1ccc(Br)cc1Br ZINC000423529431 563362223 /nfs/dbraw/zinc/36/22/23/563362223.db2.gz VMQBYMJHMIAVRN-ONGXEEELSA-N 1 0 378.108 2.851 20 0 GFADRO Cc1nccnc1N1CCN(C[C@H](O)c2ccc(F)c(Br)c2)CC1 ZINC000374126811 563362583 /nfs/dbraw/zinc/36/25/83/563362583.db2.gz RPWRSQYFZRLNCZ-INIZCTEOSA-N 1 0 395.276 2.542 20 0 GFADRO [NH3+]C[C@H]1CCN(C(=O)C(=O)N2CCC(c3cccc(Cl)c3Cl)CC2)C1 ZINC000423645488 563362789 /nfs/dbraw/zinc/36/27/89/563362789.db2.gz YSSCRXBITDKFNO-GFCCVEGCSA-N 1 0 384.307 2.507 20 0 GFADRO [NH3+]C[C@@H]1CCN(C(=O)C(=O)N2CCC(c3ccc(Cl)cc3Cl)CC2)C1 ZINC000423646840 563362810 /nfs/dbraw/zinc/36/28/10/563362810.db2.gz ZTJBQMJMFWUXMZ-LBPRGKRZSA-N 1 0 384.307 2.507 20 0 GFADRO Cc1cc(N2CC[C@H](NC(=O)[C@H](C(C)C)[C@@H](C)[NH3+])C2=O)ccc1Br ZINC000423845721 563364166 /nfs/dbraw/zinc/36/41/66/563364166.db2.gz OMQGHZMNLXQRJH-UHOFOFEASA-N 1 0 396.329 2.598 20 0 GFADRO O=C(CSCc1cccc(Cl)c1)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000423944000 563364948 /nfs/dbraw/zinc/36/49/48/563364948.db2.gz DQMWAPKTEIJEGN-UHFFFAOYSA-N 1 0 381.973 2.906 20 0 GFADRO O=C(NC[C@H]1C[NH2+]CCO1)C1(c2cccc(Br)c2)CCCCC1 ZINC000423993986 563366244 /nfs/dbraw/zinc/36/62/44/563366244.db2.gz RMJFAEATBLUSFE-MRXNPFEDSA-N 1 0 381.314 2.756 20 0 GFADRO O=C([C@@H]1COc2ccc(Br)cc21)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000423981485 563366448 /nfs/dbraw/zinc/36/64/48/563366448.db2.gz TVDBCCDDAZLRLI-DAXOMENPSA-N 1 0 379.298 2.916 20 0 GFADRO O=C(Nc1ccccc1OCCN1CC[NH2+]CC1)c1coc(Br)c1 ZINC000424002748 563367331 /nfs/dbraw/zinc/36/73/31/563367331.db2.gz OOHNJROFJJIFIT-UHFFFAOYSA-N 1 0 394.269 2.578 20 0 GFADRO C[C@H]1CN(C(=O)c2csc(Br)c2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000374288503 563367415 /nfs/dbraw/zinc/36/74/15/563367415.db2.gz PWWDFDCFTVJMAA-JSGCOSHPSA-N 1 0 386.359 2.609 20 0 GFADRO CC(C)c1n[nH]c(C(=O)N2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)c1Br ZINC000374410582 563371224 /nfs/dbraw/zinc/37/12/24/563371224.db2.gz HYLRLJKNCRFGRO-FRRDWIJNSA-N 1 0 399.333 2.619 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2C(=O)c1cc(F)cc(Br)c1 ZINC000374412169 563371336 /nfs/dbraw/zinc/37/13/36/563371336.db2.gz QHIVWPJSWKJWNZ-OWCLPIDISA-N 1 0 385.277 2.912 20 0 GFADRO CCOc1cc(Br)ccc1NC(=O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000424131489 563371797 /nfs/dbraw/zinc/37/17/97/563371797.db2.gz WCQKYLWTAGEHQS-LBPRGKRZSA-N 1 0 394.273 2.616 20 0 GFADRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N(C)C[C@@H](O)c1cccc(Br)c1 ZINC000299067857 563374434 /nfs/dbraw/zinc/37/44/34/563374434.db2.gz VGWMPTBYTQVRBR-OAUYIBNBSA-N 1 0 396.329 2.607 20 0 GFADRO COC(=O)c1cc(C[NH+]2CCC(CNC(=O)C(F)(F)F)CC2)c(C)s1 ZINC000281377386 563375409 /nfs/dbraw/zinc/37/54/09/563375409.db2.gz OWGBMAHOFVVIJD-UHFFFAOYSA-N 1 0 378.416 2.734 20 0 GFADRO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]C[C@H]1CCN(C)C(=O)C1 ZINC000424332229 563375928 /nfs/dbraw/zinc/37/59/28/563375928.db2.gz UVOBBYQPVCYZLX-OLZOCXBDSA-N 1 0 382.302 2.624 20 0 GFADRO CO[C@H]1C[C@H]2C[C@H]([NH2+]CCCNS(=O)(=O)c3ccccc3Cl)C[C@H]2C1 ZINC000424345134 563376283 /nfs/dbraw/zinc/37/62/83/563376283.db2.gz HNQCBQYKKCFHLA-PLAPLOCASA-N 1 0 386.945 2.802 20 0 GFADRO C[C@@H]1CC2(CN1S(=O)(=O)c1cc(Br)ccc1F)CC[NH2+]CC2 ZINC000424391674 563378093 /nfs/dbraw/zinc/37/80/93/563378093.db2.gz NFRJVKZQHXXWSR-LLVKDONJSA-N 1 0 391.306 2.741 20 0 GFADRO Cc1cccc(S(=O)(=O)N2CC3(C[C@H]2C)CC[NH2+]CC3)c1Br ZINC000424388418 563378125 /nfs/dbraw/zinc/37/81/25/563378125.db2.gz HATKCHBXCCYBQI-CYBMUJFWSA-N 1 0 387.343 2.910 20 0 GFADRO Cn1c(CN2CCC(Cn3cc(Br)cn3)CC2)nnc1C1CCC1 ZINC000374649980 563378768 /nfs/dbraw/zinc/37/87/68/563378768.db2.gz VHPCUJAKLGKHQZ-UHFFFAOYSA-N 1 0 393.333 2.954 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C[C@H]3Sc4ccc(Cl)cc4NC3=O)C[C@H]21 ZINC000374646663 563378974 /nfs/dbraw/zinc/37/89/74/563378974.db2.gz QUPDDWYWCVHOJH-XNIJJKJLSA-N 1 0 379.913 2.729 20 0 GFADRO CC[NH+](CC)CCSCC(=O)NCc1ccncc1OCC(F)(F)F ZINC000281528896 563379211 /nfs/dbraw/zinc/37/92/11/563379211.db2.gz JDBHTFKRXYIYJC-UHFFFAOYSA-N 1 0 379.448 2.714 20 0 GFADRO CS(=O)(=O)N1CC[C@@H](C[N@@H+]2CCC[C@H]2c2ccc(Br)cc2)C1 ZINC000374772875 563382056 /nfs/dbraw/zinc/38/20/56/563382056.db2.gz ALDQJAIQDVOWTM-BBRMVZONSA-N 1 0 387.343 2.868 20 0 GFADRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)C(=O)Nc1cc(Cl)c(N)c(Cl)c1 ZINC000299337628 563382262 /nfs/dbraw/zinc/38/22/62/563382262.db2.gz OQJGANSTBBNNKX-YGRLFVJLSA-N 1 0 385.295 2.599 20 0 GFADRO Cc1sc(Br)c(C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)c1C ZINC000281655172 563382318 /nfs/dbraw/zinc/38/23/18/563382318.db2.gz BXYKXPXNYHEWGY-UHFFFAOYSA-N 1 0 388.375 2.883 20 0 GFADRO COCC[NH+]1CCC(NC(=O)c2c(C)ccc(Br)c2OC)CC1 ZINC000424618648 563384310 /nfs/dbraw/zinc/38/43/10/563384310.db2.gz MRFCCULCUGHOGB-UHFFFAOYSA-N 1 0 385.302 2.607 20 0 GFADRO COc1ncc(C(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)cc1Br ZINC000424649851 563385529 /nfs/dbraw/zinc/38/55/29/563385529.db2.gz XMHCOUSCYVMTPA-CQSZACIVSA-N 1 0 382.302 2.943 20 0 GFADRO CC(=O)N[C@@H]1CCCN(C(=O)C[NH2+]C2(c3ccc(Cl)c(Cl)c3)CC2)C1 ZINC000299655118 563387636 /nfs/dbraw/zinc/38/76/36/563387636.db2.gz UIRIFAPPVNPOBH-CQSZACIVSA-N 1 0 384.307 2.699 20 0 GFADRO Cc1nn(C)c(CN2CCC[C@H](CNC(=O)c3ccco3)C2)c1Br ZINC000375028207 563387913 /nfs/dbraw/zinc/38/79/13/563387913.db2.gz VUFLUHQBAGRMID-CYBMUJFWSA-N 1 0 395.301 2.726 20 0 GFADRO CC(C)(CNC(=O)C(=O)Nc1cc(Cl)c(N)c(Cl)c1)C[NH+]1CCCC1 ZINC000299683448 563389167 /nfs/dbraw/zinc/38/91/67/563389167.db2.gz NFLQMARYFZQPAS-UHFFFAOYSA-N 1 0 387.311 2.752 20 0 GFADRO O=S(=O)(Cc1cccc(Br)c1)N1CCC([NH+]2CCCC2)CC1 ZINC000375079555 563389371 /nfs/dbraw/zinc/38/93/71/563389371.db2.gz GTBQAIULHGPDAI-UHFFFAOYSA-N 1 0 387.343 2.839 20 0 GFADRO CC(=O)c1cc(S(=O)(=O)N2CCC[C@H]2c2ncc[nH]2)ccc1Br ZINC000375197670 563394857 /nfs/dbraw/zinc/39/48/57/563394857.db2.gz PAWSIZUDKLRNBB-AWEZNQCLSA-N 1 0 398.282 2.901 20 0 GFADRO Cn1ncc(N2CCC[C@@H](C[NH+]3CCCCCC3)C2)c(Br)c1=O ZINC000301266752 563398607 /nfs/dbraw/zinc/39/86/07/563398607.db2.gz WOCFBISHMDGAOO-AWEZNQCLSA-N 1 0 383.334 2.635 20 0 GFADRO O=C(Cc1ccc(F)cc1Br)N1CCC[N@@H+](C2CCOCC2)CC1 ZINC000375342066 563400526 /nfs/dbraw/zinc/40/05/26/563400526.db2.gz RJQLSDLRQYSAIO-UHFFFAOYSA-N 1 0 399.304 2.844 20 0 GFADRO COc1cc(Br)ccc1CCC(=O)N1CCC[C@H]2C[N@H+](C)C[C@H]21 ZINC000425070720 563403412 /nfs/dbraw/zinc/40/34/12/563403412.db2.gz XCHRLIAXBKFQRT-GOEBONIOSA-N 1 0 381.314 2.943 20 0 GFADRO Cc1cn2c(n1)CC[C@@H]([NH2+][C@H]1CCN(c3cccc(Br)c3)C1=O)C2 ZINC000375411884 563404063 /nfs/dbraw/zinc/40/40/63/563404063.db2.gz AEIFTEQGUXMPLX-ZBFHGGJFSA-N 1 0 389.297 2.664 20 0 GFADRO CN(CC[NH+](C)C)c1ccc(Br)cc1NC(=O)[C@H]1C[C@]12CCOC2 ZINC000425098886 563404466 /nfs/dbraw/zinc/40/44/66/563404466.db2.gz MWYCAMRHNBPZGY-KDOFPFPSSA-N 1 0 396.329 2.812 20 0 GFADRO Cc1cc(C(=O)Nc2cc(Br)ccc2N(C)CC[NH+](C)C)n[nH]1 ZINC000425100806 563404764 /nfs/dbraw/zinc/40/47/64/563404764.db2.gz WAMYFXPZICBTFJ-UHFFFAOYSA-N 1 0 380.290 2.731 20 0 GFADRO CCn1c(CC[NH3+])nnc1Sc1ncnc2ccc(Br)cc21 ZINC000301539185 563406852 /nfs/dbraw/zinc/40/68/52/563406852.db2.gz JPXCFXJWPAXVPO-UHFFFAOYSA-N 1 0 379.287 2.656 20 0 GFADRO C[C@H](CC(=O)N1CCC[N@@H+]([C@@H](C)CO)CC1)c1ccc(Br)cc1 ZINC000375495500 563407090 /nfs/dbraw/zinc/40/70/90/563407090.db2.gz NQXYANFGLNXCPL-CABCVRRESA-N 1 0 383.330 2.858 20 0 GFADRO Cc1ncc(CN2CC[C@@H]([NH2+]CC(=O)NCc3cccs3)[C@H](C)C2)s1 ZINC000375510872 563407763 /nfs/dbraw/zinc/40/77/63/563407763.db2.gz DXAKAYOMAFLMOV-CXAGYDPISA-N 1 0 378.567 2.629 20 0 GFADRO OC[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1Nc1ncc(Br)cn1 ZINC000301738135 563411753 /nfs/dbraw/zinc/41/17/53/563411753.db2.gz WAQHSIXIKKIIDG-GOEBONIOSA-N 1 0 377.286 2.534 20 0 GFADRO Cc1cccc(S(=O)(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)c1Br ZINC000375608966 563411794 /nfs/dbraw/zinc/41/17/94/563411794.db2.gz VGKTYDUTHCVOLG-CQSZACIVSA-N 1 0 387.343 2.910 20 0 GFADRO COc1cc2[nH+]ccc(N[C@H]3CCN(C(C)C)C3=O)c2cc1Br ZINC000425229440 563413644 /nfs/dbraw/zinc/41/36/44/563413644.db2.gz QHWDOLYBRGVMJD-AWEZNQCLSA-N 1 0 378.270 2.849 20 0 GFADRO COc1cc2[nH+]ccc(NC[C@@H]3CCN(C)C(=O)C3)c2cc1Br ZINC000425269174 563416157 /nfs/dbraw/zinc/41/61/57/563416157.db2.gz SAJAGYPDMIVPMS-LLVKDONJSA-N 1 0 378.270 2.708 20 0 GFADRO COc1cc2[nH+]ccc(NC[C@H]3CCCN(C(N)=O)C3)c2cc1Br ZINC000425267219 563416255 /nfs/dbraw/zinc/41/62/55/563416255.db2.gz KZGCPSNDDUEJSM-LLVKDONJSA-N 1 0 393.285 2.630 20 0 GFADRO CN(C)C(=O)CN1CCC([NH2+][C@@H]2CCc3ccc(Br)cc32)CC1 ZINC000282598060 563417298 /nfs/dbraw/zinc/41/72/98/563417298.db2.gz JNRHQHLUHZKYPX-QGZVFWFLSA-N 1 0 380.330 2.579 20 0 GFADRO C[NH+](C)[C@H]1CCCN(S(=O)(=O)c2cc(Br)cnc2Cl)CC1 ZINC000375946690 563425037 /nfs/dbraw/zinc/42/50/37/563425037.db2.gz JXCBYEMKZWGITF-NSHDSACASA-N 1 0 396.738 2.602 20 0 GFADRO COCC(C)(C)[NH+]1CCN(C[C@@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000425517526 563426486 /nfs/dbraw/zinc/42/64/86/563426486.db2.gz UMOLVSFCMRZPOJ-CQSZACIVSA-N 1 0 391.339 2.776 20 0 GFADRO Cc1nn(C)c(C[NH2+]C[C@@H]2CC(=O)N(C)[C@H]2c2ccccc2)c1Br ZINC000376019149 563427151 /nfs/dbraw/zinc/42/71/51/563427151.db2.gz NIGOWKQLCQFDDC-KSSFIOAISA-N 1 0 391.313 2.800 20 0 GFADRO Cc1sc(Br)c(C(=O)NCCCC[NH+]2CCOCC2)c1C ZINC000282896180 563429136 /nfs/dbraw/zinc/42/91/36/563429136.db2.gz BOPUREZJCCGUCX-UHFFFAOYSA-N 1 0 375.332 2.970 20 0 GFADRO C[C@H](C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000302801234 563430435 /nfs/dbraw/zinc/43/04/35/563430435.db2.gz YHFFNYAXVVVRTA-CHWSQXEVSA-N 1 0 387.933 2.649 20 0 GFADRO O=S(=O)(Cc1ccccc1C(F)(F)F)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000376129524 563430726 /nfs/dbraw/zinc/43/07/26/563430726.db2.gz LIMWRGXSJNYCJF-CZUORRHYSA-N 1 0 376.444 2.999 20 0 GFADRO CC[N@H+](CCNC(=O)C(=O)Nc1cc(Cl)ccc1OC(F)F)C(C)C ZINC000425746795 563434991 /nfs/dbraw/zinc/43/49/91/563434991.db2.gz SDSMLIGHZQZCGL-UHFFFAOYSA-N 1 0 377.819 2.726 20 0 GFADRO COc1cc(Br)c(CNC(=O)C[C@@H]2CCC[NH2+]CC2)cc1OC ZINC000376335474 563438160 /nfs/dbraw/zinc/43/81/60/563438160.db2.gz SQYQBWSOXMHZAM-GFCCVEGCSA-N 1 0 385.302 2.862 20 0 GFADRO COCC[N@H+](C)CCCNC(=O)c1cc(Cl)cc(F)c1Br ZINC000283280476 563440648 /nfs/dbraw/zinc/44/06/48/563440648.db2.gz BOHFSVZSGNJZDX-UHFFFAOYSA-N 1 0 381.673 2.940 20 0 GFADRO C[C@@H]([NH2+]CC1CC(F)(F)C1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000425935502 563440922 /nfs/dbraw/zinc/44/09/22/563440922.db2.gz DPYDRSXGMJOWRF-MRVPVSSYSA-N 1 0 383.258 2.792 20 0 GFADRO CCOc1ccc(Br)cc1S(=O)(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000316301340 563441711 /nfs/dbraw/zinc/44/17/11/563441711.db2.gz LTJRJUZZHFQJQB-NSHDSACASA-N 1 0 391.331 2.596 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)N[C@@H]2CCN(c3cccc(Br)c3)C2)CC[N@@H+]1C ZINC000426065585 563442824 /nfs/dbraw/zinc/44/28/24/563442824.db2.gz BTNCEWWUHLPTCZ-VNQPRFMTSA-N 1 0 395.345 2.810 20 0 GFADRO O=C(NCC(F)(F)F)[C@H]1CC[N@H+](CCOc2ccccc2Br)C1 ZINC000426104484 563443410 /nfs/dbraw/zinc/44/34/10/563443410.db2.gz QRPGTHZXKPPFFK-NSHDSACASA-N 1 0 395.219 2.828 20 0 GFADRO Cc1cc(NC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc(C)c1Br ZINC000426107838 563443526 /nfs/dbraw/zinc/44/35/26/563443526.db2.gz BVMSTWJIZHFCRI-UKRRQHHQSA-N 1 0 394.313 2.747 20 0 GFADRO Cc1cc(N2CCC[C@H]([N@H+]3CC[C@H](O)[C@H](C)C3)C2=O)ccc1Br ZINC000426135624 563444652 /nfs/dbraw/zinc/44/46/52/563444652.db2.gz HFDUUAKGRAGHFA-COXVUDFISA-N 1 0 381.314 2.956 20 0 GFADRO CC[N@H+](C)C[C@@H]1CCN(c2c(Br)cccc2S(C)(=O)=O)C1 ZINC000283421297 563444841 /nfs/dbraw/zinc/44/48/41/563444841.db2.gz AUZRAAHWKIPZFV-LBPRGKRZSA-N 1 0 375.332 2.631 20 0 GFADRO O=C(NCc1ccc(Cl)cc1Cl)C(=O)N1CCC(n2ccnc2)CC1 ZINC000283486543 563445886 /nfs/dbraw/zinc/44/58/86/563445886.db2.gz YGPAJZJIAKGQAL-UHFFFAOYSA-N 1 0 381.263 2.670 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CN(C(=O)c2ccc(Br)cc2C(F)(F)F)CCO1 ZINC000320173405 563446132 /nfs/dbraw/zinc/44/61/32/563446132.db2.gz JYORKEPYTFSSRM-PRHODGIISA-N 1 0 381.192 2.656 20 0 GFADRO [NH3+]C[C@@H]1CCCC[C@]12NC(=O)N(Cc1ccc(Br)cc1F)C2=O ZINC000321128028 563448003 /nfs/dbraw/zinc/44/80/03/563448003.db2.gz CWOLNTUPNXTPPU-ZBEGNZNMSA-N 1 0 384.249 2.528 20 0 GFADRO CC(C)C[C@H](C[NH3+])CC(=O)N1CCN(c2ccc(Br)cn2)CC1 ZINC000322000331 563449241 /nfs/dbraw/zinc/44/92/41/563449241.db2.gz GSCVJPQDLMQRGQ-AWEZNQCLSA-N 1 0 383.334 2.504 20 0 GFADRO O[C@@H](C[NH2+]Cc1cc(Br)cc2c1OCC2)COCc1ccco1 ZINC000322280191 563449396 /nfs/dbraw/zinc/44/93/96/563449396.db2.gz PMELCXQCXHTFPZ-HNNXBMFYSA-N 1 0 382.254 2.644 20 0 GFADRO C[C@@H]1CC[N@H+](C)CCN1C(=O)N[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000426426832 563449872 /nfs/dbraw/zinc/44/98/72/563449872.db2.gz JPPZGVIDQUBWEA-ZBFHGGJFSA-N 1 0 395.345 2.763 20 0 GFADRO CC[N@@H+]1CCCN(C(=O)Nc2ccc3nccnc3c2Br)CC1 ZINC000376730118 563452110 /nfs/dbraw/zinc/45/21/10/563452110.db2.gz RKCQHPMRGOFYDC-UHFFFAOYSA-N 1 0 378.274 2.952 20 0 GFADRO CN(Cc1ccccc1Br)C(=O)CN1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000324230963 563452164 /nfs/dbraw/zinc/45/21/64/563452164.db2.gz VBUMYXQRRCFRKJ-WMZOPIPTSA-N 1 0 394.357 2.872 20 0 GFADRO O=c1cc(CN2CCCC[C@H]2[C@@H]2CCC[NH2+]2)nc2ccc(Br)cn12 ZINC000324817565 563453054 /nfs/dbraw/zinc/45/30/54/563453054.db2.gz VDUIETRNWLTABD-HOTGVXAUSA-N 1 0 391.313 2.564 20 0 GFADRO O=C1C[C@H]([N@@H+]2CC[C@]3(C2)CCCOC3)C(=O)N1c1ccc(Br)cc1 ZINC000376757985 563453655 /nfs/dbraw/zinc/45/36/55/563453655.db2.gz KDLCVXMRZDYWAM-YJBOKZPZSA-N 1 0 393.281 2.584 20 0 GFADRO O=C(C[C@H]1CCC[NH2+]CC1)NCc1nnc(-c2ccc(Br)cc2)[nH]1 ZINC000376895339 563457561 /nfs/dbraw/zinc/45/75/61/563457561.db2.gz KNLUVDPGRZAYBS-LBPRGKRZSA-N 1 0 392.301 2.630 20 0 GFADRO O=S(=O)(c1ccccc1OC(F)(F)F)N1CCCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000327741375 563459578 /nfs/dbraw/zinc/45/95/78/563459578.db2.gz NYGXGPRQKAGVIO-OLZOCXBDSA-N 1 0 378.416 2.880 20 0 GFADRO Cc1csc(-c2cccc(S(=O)(=O)N3CCN(CC4CC4)CC3)c2)n1 ZINC000328687366 563463363 /nfs/dbraw/zinc/46/33/63/563463363.db2.gz ZAWAMPCFWHKIKQ-UHFFFAOYSA-N 1 0 377.535 2.835 20 0 GFADRO Cc1ccsc1S(=O)(=O)N1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000427282002 563464614 /nfs/dbraw/zinc/46/46/14/563464614.db2.gz RZYRSAJYZIHRIV-HZPDHXFCSA-N 1 0 386.583 2.957 20 0 GFADRO Ic1cnc(CNC2CC([NH+]3CCCCC3)C2)s1 ZINC000377157442 563465632 /nfs/dbraw/zinc/46/56/32/563465632.db2.gz KMIGLRNQHGUJOC-UHFFFAOYSA-N 1 0 377.295 2.854 20 0 GFADRO O=C(C[C@@H]1CC[NH2+]C1)N1CCC(C(=O)Nc2cccc(Br)c2)CC1 ZINC000427379623 563466777 /nfs/dbraw/zinc/46/67/77/563466777.db2.gz LQBKSGOVQFUMPO-ZDUSSCGKSA-N 1 0 394.313 2.626 20 0 GFADRO Brc1ccc(-c2nnc(CN3CCCC[C@@H]3Cn3ccnn3)o2)o1 ZINC000377283089 563469330 /nfs/dbraw/zinc/46/93/30/563469330.db2.gz MFYRNAHFWHBHNR-LLVKDONJSA-N 1 0 393.245 2.738 20 0 GFADRO C[C@@H]([NH2+]C1CCN(Cc2cccs2)CC1)c1cccc(S(N)(=O)=O)c1 ZINC000377342968 563471888 /nfs/dbraw/zinc/47/18/88/563471888.db2.gz CFTCCPDIHRJWNX-CQSZACIVSA-N 1 0 379.551 2.711 20 0 GFADRO CC(=O)NC1CCC([NH2+]CCCNC(=O)c2ccc(Br)cc2)CC1 ZINC000427689546 563471995 /nfs/dbraw/zinc/47/19/95/563471995.db2.gz ITURVHXPWRXSLF-UHFFFAOYSA-N 1 0 396.329 2.606 20 0 GFADRO CC(=O)NC1CCC([NH2+]CC(=O)Nc2ccc(Br)cc2C)CC1 ZINC000427719003 563473204 /nfs/dbraw/zinc/47/32/04/563473204.db2.gz NWLCVEFYHZNCHK-UHFFFAOYSA-N 1 0 382.302 2.733 20 0 GFADRO CCOc1ccc(Br)cc1NC(=O)N1CC[C@H]2OCCN(C)[C@@H]2C1 ZINC000284476047 563476421 /nfs/dbraw/zinc/47/64/21/563476421.db2.gz AMVMZWOBZSEXDF-GDBMZVCRSA-N 1 0 398.301 2.785 20 0 GFADRO CCOc1ccc(S(=O)(=O)N[C@H](C)CCCC[NH3+])cc1Br ZINC000427951303 563479141 /nfs/dbraw/zinc/47/91/41/563479141.db2.gz OIVAMQWMDGXZEW-LLVKDONJSA-N 1 0 379.320 2.644 20 0 GFADRO CC(C)N(Cc1cccs1)C(=O)C(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000284634952 563483509 /nfs/dbraw/zinc/48/35/09/563483509.db2.gz ZBRJOGFZQDNWIQ-OAHLLOKOSA-N 1 0 379.551 2.966 20 0 GFADRO CO[C@H]1C[C@@H](CN(C)C(=O)c2cc(Br)cc(Cl)c2[O-])[N@H+](C)C1 ZINC000284635655 563483528 /nfs/dbraw/zinc/48/35/28/563483528.db2.gz DAVAQOYIKISTFG-QWRGUYRKSA-N 1 0 391.693 2.599 20 0 GFADRO O=C([C@@H]1C[C@H]1C1CC[NH2+]CC1)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000377740001 563485025 /nfs/dbraw/zinc/48/50/25/563485025.db2.gz BPEXXOLEHKKGBO-LSDHHAIUSA-N 1 0 383.323 2.673 20 0 GFADRO O=Cc1ccc(OCC(=O)N2CCC([NH+]3CCCC3)CC2)c(Br)c1 ZINC000377865011 563489520 /nfs/dbraw/zinc/48/95/20/563489520.db2.gz HLEAQLHONCYILT-UHFFFAOYSA-N 1 0 395.297 2.727 20 0 GFADRO C[C@@H]1CN(C(=O)C[NH2+][C@H](c2cncc(Br)c2)C2CC2)C[C@H](C)O1 ZINC000284822121 563491286 /nfs/dbraw/zinc/49/12/86/563491286.db2.gz PXKCOTHYOJKPGB-JKDFXYPNSA-N 1 0 382.302 2.521 20 0 GFADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCCC2 ZINC000428465799 563493256 /nfs/dbraw/zinc/49/32/56/563493256.db2.gz XSYKRRUEVKJCPD-WNOSKKOXSA-N 1 0 381.314 2.937 20 0 GFADRO C[C@H](C(=O)Nc1cccc(Br)c1)N1CCC(c2nnc[nH]2)CC1 ZINC000378051496 563494718 /nfs/dbraw/zinc/49/47/18/563494718.db2.gz BOHWBGQINBYYEB-LLVKDONJSA-N 1 0 378.274 2.774 20 0 GFADRO C[C@@H]([NH2+][C@H](c1cncc(Br)c1)C1CC1)C(=O)NC(=O)NC(C)(C)C ZINC000284921961 563495470 /nfs/dbraw/zinc/49/54/70/563495470.db2.gz VURRWCLBAFSLPN-YGRLFVJLSA-N 1 0 397.317 2.898 20 0 GFADRO CC(C)(C)n1cc(C[NH2+]C[C@H](CO)Cc2cccc(Br)c2)nn1 ZINC000428545053 563495712 /nfs/dbraw/zinc/49/57/12/563495712.db2.gz JYDIWXSTOKGXJF-CQSZACIVSA-N 1 0 381.318 2.736 20 0 GFADRO Brc1cc(C[NH2+][C@@H]2CCc3c[nH]nc3C2)cc2c1OCCCO2 ZINC000378103594 563496464 /nfs/dbraw/zinc/49/64/64/563496464.db2.gz NXCVPPYUWSVEQR-CYBMUJFWSA-N 1 0 378.270 2.981 20 0 GFADRO C[C@H](NC(=O)[C@@H]1C[N@H+](C)C[C@H]1C)c1ccc(Br)cc1OCCCO ZINC000428604323 563497400 /nfs/dbraw/zinc/49/74/00/563497400.db2.gz XBMPRDYVVZICKH-DVOMOZLQSA-N 1 0 399.329 2.585 20 0 GFADRO Cc1cccc(S(=O)(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c1Br ZINC000378223293 563499235 /nfs/dbraw/zinc/49/92/35/563499235.db2.gz IQANAJUAXFMPNE-KBPBESRZSA-N 1 0 387.343 2.910 20 0 GFADRO Cc1cccc(C(=O)NC[C@@H]2CCC[C@@H]2[NH+]2CCOCC2)c1Br ZINC000378273083 563501036 /nfs/dbraw/zinc/50/10/36/563501036.db2.gz QMCAUCKWQACEFB-HOCLYGCPSA-N 1 0 381.314 2.988 20 0 GFADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(c2nc3cc(Cl)cc(Cl)c3o2)CC1 ZINC000330325545 563501374 /nfs/dbraw/zinc/50/13/74/563501374.db2.gz JJLHCNMFJJZQRH-AWEZNQCLSA-N 1 0 383.279 2.877 20 0 GFADRO Cc1cc(Br)ccc1S(=O)(=O)N1CCC[C@H]([NH+](C)C)CC1 ZINC000428859223 563503765 /nfs/dbraw/zinc/50/37/65/563503765.db2.gz ZAVMDJMGHACXKG-AWEZNQCLSA-N 1 0 375.332 2.862 20 0 GFADRO Cc1ccc(Br)c(C(=O)N2CCN(C3CC[NH+](C)CC3)[C@H](C)C2)c1 ZINC000378373996 563504155 /nfs/dbraw/zinc/50/41/55/563504155.db2.gz XFRAQJBJQRJZEM-OAHLLOKOSA-N 1 0 394.357 2.998 20 0 GFADRO O=C(COc1cc(Cl)ccc1Cl)Nc1ccc(N2CC[NH2+]CC2)cn1 ZINC000429036669 563508575 /nfs/dbraw/zinc/50/85/75/563508575.db2.gz UBGKJWCDQHPBQC-UHFFFAOYSA-N 1 0 381.263 2.816 20 0 GFADRO C[C@@H]1C[C@@H]1[N@@H+]1CCN([C@H](C(N)=O)c2ccc(Br)cc2F)C[C@@H](C)C1 ZINC000429026899 563508730 /nfs/dbraw/zinc/50/87/30/563508730.db2.gz ALHAKYNMEZXKLS-LZDSYCOUSA-N 1 0 398.320 2.777 20 0 GFADRO O=C(C[NH2+][C@H](c1cc(Cl)ccc1Cl)[C@@H]1CCOC1)NC1CCOCC1 ZINC000378496676 563509421 /nfs/dbraw/zinc/50/94/21/563509421.db2.gz LUPFRNINLFIPRT-XIKOKIGWSA-N 1 0 387.307 2.956 20 0 GFADRO CC[NH2+]CCNC(=O)c1ccc(OCc2cc(C)no2)c(Br)c1 ZINC000429078770 563509540 /nfs/dbraw/zinc/50/95/40/563509540.db2.gz ODWBYELRENOFOY-UHFFFAOYSA-N 1 0 382.258 2.664 20 0 GFADRO C[C@@H]1CCCN(C(=O)[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)[C@H]1C[NH3+] ZINC000429169817 563510814 /nfs/dbraw/zinc/51/08/14/563510814.db2.gz VLRAZYZLGPLINV-FFSVYQOJSA-N 1 0 384.307 2.932 20 0 GFADRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+][C@@H](C)C(=O)Nc1ccc(Br)c(C)c1 ZINC000330596721 563512679 /nfs/dbraw/zinc/51/26/79/563512679.db2.gz YLMJLZCOWIRODZ-NJZAAPMLSA-N 1 0 382.302 2.589 20 0 GFADRO CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@H]1c2cccc(Br)c2CC1(C)C ZINC000429402239 563516299 /nfs/dbraw/zinc/51/62/99/563516299.db2.gz CFHBYRATLXBILY-YGRLFVJLSA-N 1 0 382.302 2.896 20 0 GFADRO C[C@@H]1CC[N@H+](C[C@@H](O)COc2ccc(Cl)cc2Br)C[C@H]1O ZINC000330668323 563516778 /nfs/dbraw/zinc/51/67/78/563516778.db2.gz XWTPWFDBCGRKAM-MPKXVKKWSA-N 1 0 378.694 2.545 20 0 GFADRO CC(C)[C@H](NCC(=O)N(C)Cc1ccccc1Br)c1nncn1C ZINC000285375357 563517274 /nfs/dbraw/zinc/51/72/74/563517274.db2.gz MVCWYXCIIBRINC-INIZCTEOSA-N 1 0 394.317 2.523 20 0 GFADRO C[NH+](C)[C@@H]1[C@H]2CN(C(=O)c3ccc(I)c(Cl)c3)C[C@H]21 ZINC000385001234 563517842 /nfs/dbraw/zinc/51/78/42/563517842.db2.gz VYQQJEGWHCYELY-IWIIMEHWSA-N 1 0 390.652 2.577 20 0 GFADRO CS(=O)(=O)NCC1CC[NH+](Cc2cc(-c3ccc(Cl)cc3)no2)CC1 ZINC000285386882 563518001 /nfs/dbraw/zinc/51/80/01/563518001.db2.gz HAUZNPUDWUNVRE-UHFFFAOYSA-N 1 0 383.901 2.756 20 0 GFADRO CSc1cc(Br)ccc1C[NH2+]C1CCC2(CC1)NC(=O)NC2=O ZINC000285398893 563518738 /nfs/dbraw/zinc/51/87/38/563518738.db2.gz DXUFYZWPTACTLL-UHFFFAOYSA-N 1 0 398.326 2.781 20 0 GFADRO CC[C@@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000429769090 563522842 /nfs/dbraw/zinc/52/28/42/563522842.db2.gz DKLYIQOHSQZLBU-DOMZBBRYSA-N 1 0 387.933 2.697 20 0 GFADRO C[C@@H](CNS(=O)(=O)c1cncc(Br)c1)[N@H+](C)Cc1ccccc1 ZINC000390810009 563523277 /nfs/dbraw/zinc/52/32/77/563523277.db2.gz RONUEXCTKRVUSP-ZDUSSCGKSA-N 1 0 398.326 2.643 20 0 GFADRO O[C@@H](COCc1ccccc1Cl)C[N@@H+]1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000285551848 563526555 /nfs/dbraw/zinc/52/65/55/563526555.db2.gz MIMQKUBLXVKDKU-ZBFHGGJFSA-N 1 0 381.822 2.997 20 0 GFADRO C[C@@H]1[C@H]([NH2+]Cc2cc(Br)cc(Br)c2)CCS1(=O)=O ZINC000394594670 563530356 /nfs/dbraw/zinc/53/03/56/563530356.db2.gz ZFUKOTARSPNUFZ-PRHODGIISA-N 1 0 397.132 2.877 20 0 GFADRO COCC[NH2+]CC(=O)Nc1nc(C)c(Cc2cccc(Br)c2)s1 ZINC000429981571 563530807 /nfs/dbraw/zinc/53/08/07/563530807.db2.gz YQNDLAIRBIHWBN-UHFFFAOYSA-N 1 0 398.326 2.979 20 0 GFADRO COc1ccc(Br)c(S(=O)(=O)NCC2([NH+](C)C)CCCC2)c1 ZINC000331021042 563531650 /nfs/dbraw/zinc/53/16/50/563531650.db2.gz KAOHEACXSJPPJN-UHFFFAOYSA-N 1 0 391.331 2.610 20 0 GFADRO COc1ccc(Br)cc1S(=O)(=O)N[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000331044438 563533206 /nfs/dbraw/zinc/53/32/06/563533206.db2.gz SQFCUVRMYZIJRO-ZDUSSCGKSA-N 1 0 391.331 2.609 20 0 GFADRO CN(C(=O)C[C@@H]1C[NH2+]CCO1)[C@@H]1CCSc2ccc(Br)cc21 ZINC000430104452 563533368 /nfs/dbraw/zinc/53/33/68/563533368.db2.gz JDKHBHIWPBEJML-TZMCWYRMSA-N 1 0 385.327 2.823 20 0 GFADRO CC(C)n1cc(Br)cc1C(=O)NC[C@H](O)C[NH+]1CCC(C)CC1 ZINC000331083870 563534506 /nfs/dbraw/zinc/53/45/06/563534506.db2.gz YYHPSVMSMIQNAT-HNNXBMFYSA-N 1 0 386.334 2.654 20 0 GFADRO C[NH+](C)C[C@@H]1CCCCN1S(=O)(=O)c1ccc(Br)cc1F ZINC000405073965 563537845 /nfs/dbraw/zinc/53/78/45/563537845.db2.gz HJPKHRUOTBMNOX-LBPRGKRZSA-N 1 0 379.295 2.693 20 0 GFADRO CC[C@@H](C(=O)NC[C@H](CO)Cc1ccccc1Br)[NH+](CC)CC ZINC000430177915 563537993 /nfs/dbraw/zinc/53/79/93/563537993.db2.gz KWPCDLNULAHSPP-PBHICJAKSA-N 1 0 385.346 2.837 20 0 GFADRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)c1cn2ccc(Br)cc2n1 ZINC000285832722 563538817 /nfs/dbraw/zinc/53/88/17/563538817.db2.gz ONNZTQGIFWRUEK-LBPRGKRZSA-N 1 0 379.302 2.899 20 0 GFADRO O=C(CC[N@H+]1CCC[C@@H]1c1ccc(Br)c(F)c1)N1CCOCC1 ZINC000430218699 563538945 /nfs/dbraw/zinc/53/89/45/563538945.db2.gz NPCLLIQFCMHWSX-MRXNPFEDSA-N 1 0 385.277 2.974 20 0 GFADRO CN1C[C@H]([NH2+]Cc2cc(Cl)ccc2I)CCC1=O ZINC000405465533 563539251 /nfs/dbraw/zinc/53/92/51/563539251.db2.gz SQJWDIMDJAEYLO-LLVKDONJSA-N 1 0 378.641 2.655 20 0 GFADRO Cc1cc([C@H]2CCC[N@@H+]2C[C@H](O)CN2CCOCC2)ccc1Br ZINC000430230348 563539614 /nfs/dbraw/zinc/53/96/14/563539614.db2.gz YCPKJMFUPYCKBM-SJLPKXTDSA-N 1 0 383.330 2.588 20 0 GFADRO CS[C@@H]1CN(C(=O)c2cc(Br)c(F)cc2F)C[C@H]1[NH+](C)C ZINC000430265436 563539794 /nfs/dbraw/zinc/53/97/94/563539794.db2.gz FBFKOOOOUGAMIJ-CHWSQXEVSA-N 1 0 379.270 2.845 20 0 GFADRO Cc1cc(Br)c(S(=O)(=O)NC[C@H]2[NH2+]CCCC2(C)C)s1 ZINC000430383466 563543021 /nfs/dbraw/zinc/54/30/21/563543021.db2.gz CUQHIISFPJQYPC-LLVKDONJSA-N 1 0 381.361 2.876 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CCCCN1CC(=O)Nc1c(F)cc(F)cc1Br ZINC000430647370 563546819 /nfs/dbraw/zinc/54/68/19/563546819.db2.gz XTJCBIOZJMQZBE-NOZJJQNGSA-N 1 0 376.245 2.868 20 0 GFADRO CC(=O)N1CC[N@H+](CCC(=O)Nc2ccccc2Br)C(C)(C)C1 ZINC000331361785 563547351 /nfs/dbraw/zinc/54/73/51/563547351.db2.gz ZNCSQBQRRMQUGA-UHFFFAOYSA-N 1 0 382.302 2.720 20 0 GFADRO C[N@H+](CCNC(=O)c1cnc2c(Cl)cc(Br)cc2c1O)C1CC1 ZINC000430660261 563547619 /nfs/dbraw/zinc/54/76/19/563547619.db2.gz CNWZPLBEGIVVRF-UHFFFAOYSA-N 1 0 398.688 2.768 20 0 GFADRO C[C@H]([NH2+][C@@H](C)[C@H]1CCCOC1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430738562 563548162 /nfs/dbraw/zinc/54/81/62/563548162.db2.gz FIZBRVNEQAWTPB-GVXVVHGQSA-N 1 0 391.331 2.562 20 0 GFADRO C[NH2+]C[C@@H]1CCN(CC(=O)Nc2ccc(Br)c(C(F)(F)F)c2)C1 ZINC000430959068 563550749 /nfs/dbraw/zinc/55/07/49/563550749.db2.gz VYMMWJJJNJMVHS-JTQLQIEISA-N 1 0 394.235 2.948 20 0 GFADRO [NH3+]C[C@H]1CCN(CC(=O)Nc2ccc(Br)c(C(F)(F)F)c2)C1 ZINC000430954051 563550816 /nfs/dbraw/zinc/55/08/16/563550816.db2.gz DGKOCCUCTWYAOA-SECBINFHSA-N 1 0 380.208 2.687 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCCN(CC(=O)Nc2c(F)cc(F)cc2Br)C1 ZINC000430962186 563550875 /nfs/dbraw/zinc/55/08/75/563550875.db2.gz GJCFNVXXCIOSST-UWVGGRQHSA-N 1 0 376.245 2.725 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCCN(CC(=O)Nc2c(F)cc(F)cc2Br)C1 ZINC000430962187 563551031 /nfs/dbraw/zinc/55/10/31/563551031.db2.gz GJCFNVXXCIOSST-VHSXEESVSA-N 1 0 376.245 2.725 20 0 GFADRO Cc1cc(C(=O)NC[C@H]2CCC[N@H+]2C)nn1-c1ccc(Br)cc1 ZINC000431029826 563552172 /nfs/dbraw/zinc/55/21/72/563552172.db2.gz GZRRSYIEPYTYRH-OAHLLOKOSA-N 1 0 377.286 2.767 20 0 GFADRO Cc1[nH]c(=O)c(Br)cc1C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000286273889 563554267 /nfs/dbraw/zinc/55/42/67/563554267.db2.gz CBIFEFKVPQTLHR-CYBMUJFWSA-N 1 0 382.302 2.949 20 0 GFADRO O=C(NCCC[NH+]1CCCCC1)c1cc(Br)c2c(c1)OCCO2 ZINC000331608685 563555213 /nfs/dbraw/zinc/55/52/13/563555213.db2.gz PSAQCWXZTNXEOX-UHFFFAOYSA-N 1 0 383.286 2.826 20 0 GFADRO O=S(=O)(C(F)F)N1CCC(C[NH2+]C/C=C/c2ccc(F)c(F)c2)CC1 ZINC000286435678 563559932 /nfs/dbraw/zinc/55/99/32/563559932.db2.gz JCPFQWYFNLDFMA-OWOJBTEDSA-N 1 0 380.407 2.832 20 0 GFADRO C[NH+](C)CC[C@@](C)(O)CNC(=O)c1ccn(-c2ccc(Cl)c(Cl)c2)n1 ZINC000431394331 563560397 /nfs/dbraw/zinc/56/03/97/563560397.db2.gz YAVKHMXDKFNXFU-QGZVFWFLSA-N 1 0 385.295 2.612 20 0 GFADRO CCCN(C)[C@@H](CNC(=O)C1(S(C)(=O)=O)CCC1)c1ccc(Cl)cc1 ZINC000286462331 563561074 /nfs/dbraw/zinc/56/10/74/563561074.db2.gz TWQDCMPAZUUXIV-INIZCTEOSA-N 1 0 386.945 2.806 20 0 GFADRO Ic1cnc(C[NH2+][C@@H]2CCO[C@]3(CCSC3)C2)s1 ZINC000286480728 563561479 /nfs/dbraw/zinc/56/14/79/563561479.db2.gz LGZKIJNKMDIBIP-BXKDBHETSA-N 1 0 396.319 2.892 20 0 GFADRO CO[C@@H]1[C@H]2C[C@H]3C[N@H+](Cc4nnc(-c5ccc(Br)o5)o4)[C@H]1[C@H]3C2 ZINC000286494681 563562668 /nfs/dbraw/zinc/56/26/68/563562668.db2.gz MBBRXDOMUNZLEJ-SRLMGOEHSA-N 1 0 380.242 2.947 20 0 GFADRO Cc1ncc(Br)cc1NC(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000331912153 563566865 /nfs/dbraw/zinc/56/68/65/563566865.db2.gz IFYVNRCOJBIAAI-JKSUJKDBSA-N 1 0 397.317 2.652 20 0 GFADRO O=C(CCCOc1cccc(Cl)c1Cl)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000286654513 563569399 /nfs/dbraw/zinc/56/93/99/563569399.db2.gz CPUPREPUIPKRKB-CQSZACIVSA-N 1 0 386.323 2.659 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)NCC[N@H+]2CCC[C@@H](C)C2)c(Br)c1 ZINC000431948816 563572388 /nfs/dbraw/zinc/57/23/88/563572388.db2.gz AUPBGWGSHREWTN-GFCCVEGCSA-N 1 0 396.329 2.853 20 0 GFADRO Cc1nn(C)c(C)c1[C@H]1[C@H]([NH2+]Cc2cccc(Br)c2)CC(=O)N1C ZINC000332056884 563573788 /nfs/dbraw/zinc/57/37/88/563573788.db2.gz ZJAUMSGZLMXGKK-CRAIPNDOSA-N 1 0 391.313 2.861 20 0 GFADRO CN(Cc1cc(Br)cs1)C(=O)C[NH2+][C@@H]1CCC[C@]1(C)CO ZINC000332276423 563589589 /nfs/dbraw/zinc/58/95/89/563589589.db2.gz DIQHKJAQMOBGRT-UKRRQHHQSA-N 1 0 375.332 2.610 20 0 GFADRO CC[NH+](CC)CCN(CCOC)C(=O)c1nc(C)sc1Br ZINC000410462393 563591219 /nfs/dbraw/zinc/59/12/19/563591219.db2.gz WNBKHOGKCGYGED-UHFFFAOYSA-N 1 0 378.336 2.644 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)Nc2cc(F)c(Br)cc2Cl)CCCO1 ZINC000332332597 563593743 /nfs/dbraw/zinc/59/37/43/563593743.db2.gz RAQCUXUARUMDBD-QMMMGPOBSA-N 1 0 380.645 2.823 20 0 GFADRO C[C@@H](C[NH+](C)C)NC(=O)Nc1ccc(CCn2cc(Br)cn2)cc1 ZINC000287295132 563595670 /nfs/dbraw/zinc/59/56/70/563595670.db2.gz WDYCYCVTIXAEIS-ZDUSSCGKSA-N 1 0 394.317 2.960 20 0 GFADRO C[C@@H]1C[NH+](CC2CCN(Cc3nn(C)cc3Br)CC2)C[C@@H](C)O1 ZINC000432941144 563597535 /nfs/dbraw/zinc/59/75/35/563597535.db2.gz UHTKNFVWCPZQDB-ZIAGYGMSSA-N 1 0 385.350 2.504 20 0 GFADRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)N1CCc2cc(Cl)c(Cl)cc2[C@@H]1C ZINC000332491691 563601708 /nfs/dbraw/zinc/60/17/08/563601708.db2.gz OXYIWMBCBAXMHC-OHUAYANFSA-N 1 0 384.307 2.553 20 0 GFADRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)N1CCc2c(Cl)cc(Cl)cc2[C@H]1C ZINC000332512987 563602571 /nfs/dbraw/zinc/60/25/71/563602571.db2.gz VONAMMMPOYLNMX-GLKRBJQHSA-N 1 0 384.307 2.553 20 0 GFADRO C[C@H](C(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1)c1ccc(Br)s1 ZINC000332549745 563603995 /nfs/dbraw/zinc/60/39/95/563603995.db2.gz JCMSOKQJJSVEDB-QWHCGFSZSA-N 1 0 389.359 2.823 20 0 GFADRO CC(C)[C@@H](C[NH3+])C(=O)N[C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000433128771 563604330 /nfs/dbraw/zinc/60/43/30/563604330.db2.gz BOPBSSPETLDGTM-VXGBXAGGSA-N 1 0 378.826 2.680 20 0 GFADRO C[C@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH2+]Cc1cnnn1C ZINC000287499863 563604557 /nfs/dbraw/zinc/60/45/57/563604557.db2.gz YJEOKCBZRHDBLY-SECBINFHSA-N 1 0 375.782 2.994 20 0 GFADRO COC[C@H]([NH2+]Cc1cc(Br)c2c(c1)OCCCO2)[C@@H]1CCCO1 ZINC000433198124 563605414 /nfs/dbraw/zinc/60/54/14/563605414.db2.gz DPKFUJYNTOXNHX-GJZGRUSLSA-N 1 0 386.286 2.894 20 0 GFADRO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1c(F)cccc1Br ZINC000332585074 563605753 /nfs/dbraw/zinc/60/57/53/563605753.db2.gz JLRDFXRIETWYRT-VXGBXAGGSA-N 1 0 398.276 2.612 20 0 GFADRO CC(C)[C@@H]1CN(C(=O)C[C@@H]2Sc3ccc(Cl)cc3NC2=O)CC[N@@H+]1C ZINC000332580733 563605939 /nfs/dbraw/zinc/60/59/39/563605939.db2.gz FZALQYXBKJECDX-HOCLYGCPSA-N 1 0 381.929 2.942 20 0 GFADRO CCS(=O)(=O)NCCC[N@@H+]1CC[C@@H](Cc2ccc(Br)cc2)C1 ZINC000433286700 563608027 /nfs/dbraw/zinc/60/80/27/563608027.db2.gz JZXOZAHCSDFASS-HNNXBMFYSA-N 1 0 389.359 2.643 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)CC[N@@H+]1C ZINC000332627214 563608256 /nfs/dbraw/zinc/60/82/56/563608256.db2.gz GEULUTAKYHLDTH-MBNYWOFBSA-N 1 0 384.307 2.945 20 0 GFADRO C[C@H](C(=O)NC[C@@H]1CCCO1)[N@@H+]1CC[C@@H](Cc2ccc(Br)cc2)C1 ZINC000433292743 563608443 /nfs/dbraw/zinc/60/84/43/563608443.db2.gz ACXHZOVMAOSHPU-HFTRVMKXSA-N 1 0 395.341 2.997 20 0 GFADRO O=C(CC[N@H+]1CC[C@H](Cc2ccc(Br)cc2)C1)N1CCOCC1 ZINC000433315413 563609159 /nfs/dbraw/zinc/60/91/59/563609159.db2.gz YIVYYHISBNFNPD-MRXNPFEDSA-N 1 0 381.314 2.562 20 0 GFADRO CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@H](Cc2ccc(Br)cc2)C1 ZINC000433322738 563609175 /nfs/dbraw/zinc/60/91/75/563609175.db2.gz RRWCTBDDMIEWDA-GXTWGEPZSA-N 1 0 382.302 2.548 20 0 GFADRO CC[N@@H+]1CCC[C@@H](NC(=O)c2nnn(-c3cccc(Br)c3)c2C)C1 ZINC000332646722 563609722 /nfs/dbraw/zinc/60/97/22/563609722.db2.gz HLAVXBGISZZADP-CQSZACIVSA-N 1 0 392.301 2.552 20 0 GFADRO O=C(c1ncn([C@@H]2CCC[NH2+]C2)n1)N1CCc2cc(Cl)cc(Cl)c2C1 ZINC000433400623 563611584 /nfs/dbraw/zinc/61/15/84/563611584.db2.gz OIIVIBLZUCPWMP-CYBMUJFWSA-N 1 0 380.279 2.708 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)N[C@@H]2COc3cc(F)c(Br)cc32)C[N@@H+]1C1CC1 ZINC000332693127 563611849 /nfs/dbraw/zinc/61/18/49/563611849.db2.gz MJTGGBLQJPGRJY-IQMDTDKHSA-N 1 0 398.276 2.946 20 0 GFADRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)S(=O)(=O)c1c(F)cccc1OC(F)(F)F ZINC000287719114 563615226 /nfs/dbraw/zinc/61/52/26/563615226.db2.gz GKACNXNDDQLONC-ZYHUDNBSSA-N 1 0 384.395 2.685 20 0 GFADRO O=C(N[C@H]1CCc2[nH]cnc2C1)N[C@H]1CCOc2ccc(Br)cc21 ZINC000332856777 563615454 /nfs/dbraw/zinc/61/54/54/563615454.db2.gz NXQSVYPXTKOSED-AAEUAGOBSA-N 1 0 391.269 2.853 20 0 GFADRO CS[C@H]1C[N@H+](CCC(=O)Nc2ccccc2Br)C[C@H]1N(C)C ZINC000411432369 563618798 /nfs/dbraw/zinc/61/87/98/563618798.db2.gz YUYFAIBULUECHK-CABCVRRESA-N 1 0 386.359 2.755 20 0 GFADRO C[NH+](C)C1(CNC(=O)C(=O)N[C@@H]2CCSc3ccc(Cl)cc32)CCC1 ZINC000287831867 563619368 /nfs/dbraw/zinc/61/93/68/563619368.db2.gz QBAMQFANZBOFMA-CQSZACIVSA-N 1 0 381.929 2.594 20 0 GFADRO C[N@H+](CCC(=O)Nc1ccc(Br)cc1F)C[C@@H](O)C(F)(F)F ZINC000411449186 563619489 /nfs/dbraw/zinc/61/94/89/563619489.db2.gz RZZMWBORRNKIHJ-LLVKDONJSA-N 1 0 387.171 2.772 20 0 GFADRO C[C@@H]([NH2+]CCC(=O)NC(=O)NCC(F)(F)F)c1ccc(Br)cc1 ZINC000411441728 563619781 /nfs/dbraw/zinc/61/97/81/563619781.db2.gz VHCJNGJGQFQPNC-SECBINFHSA-N 1 0 396.207 2.878 20 0 GFADRO COc1cc(Br)c(NC(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)cc1OC ZINC000333117171 563621554 /nfs/dbraw/zinc/62/15/54/563621554.db2.gz HOZDVZIXNXXXLV-QWRGUYRKSA-N 1 0 384.274 2.540 20 0 GFADRO Cc1nc(NC(=O)N2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)ccc1Br ZINC000333156214 563622506 /nfs/dbraw/zinc/62/25/06/563622506.db2.gz NBWTZTBWXLDZEX-GDBMZVCRSA-N 1 0 397.317 2.903 20 0 GFADRO COc1cc(Br)c(C[NH2+][C@H]2CCCO[C@@H]2c2cnn(C)c2)cc1O ZINC000433953158 563623947 /nfs/dbraw/zinc/62/39/47/563623947.db2.gz IZVIQVUDUFJAQB-WMLDXEAASA-N 1 0 396.285 2.907 20 0 GFADRO [NH3+][C@H]1CCO[C@H](C2CCN(Cc3cnc4ccc(Br)cn34)CC2)C1 ZINC000333201650 563624166 /nfs/dbraw/zinc/62/41/66/563624166.db2.gz XYOHGCIPWPDACA-RDJZCZTQSA-N 1 0 393.329 2.815 20 0 GFADRO C[NH+](C)C[C@@H](NC(=O)c1cnc(C2OCCO2)s1)c1ccc(Cl)cc1 ZINC000287967344 563624494 /nfs/dbraw/zinc/62/44/94/563624494.db2.gz VLAIYUGGQPECTH-CYBMUJFWSA-N 1 0 381.885 2.875 20 0 GFADRO [NH3+][C@H]1CCO[C@@H](C2CCN(C(=O)Cc3ccc(Br)c(F)c3)CC2)C1 ZINC000333254420 563626200 /nfs/dbraw/zinc/62/62/00/563626200.db2.gz HOPBTXGATDMVNV-WMLDXEAASA-N 1 0 399.304 2.876 20 0 GFADRO C[NH+](C)CCOc1cccc(CNC(=O)c2ncsc2Br)c1 ZINC000288046508 563626805 /nfs/dbraw/zinc/62/68/05/563626805.db2.gz OTVFDLOKEQKJBH-UHFFFAOYSA-N 1 0 384.299 2.776 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(C(=O)Nc3cnn(-c4ccccc4Br)c3)C[C@@H]21 ZINC000333305844 563627357 /nfs/dbraw/zinc/62/73/57/563627357.db2.gz CSMAXDUUVCWULB-WBMJQRKESA-N 1 0 390.285 2.803 20 0 GFADRO CC(C)c1cnc(NC(=O)C(=O)N(CC[NH+](C)C)Cc2ccsc2)s1 ZINC000411697441 563630035 /nfs/dbraw/zinc/63/00/35/563630035.db2.gz SIKZEZHFZDMWMC-UHFFFAOYSA-N 1 0 380.539 2.857 20 0 GFADRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)Nc3ccc4nccnc4c3Br)C[C@H]12 ZINC000333377611 563630326 /nfs/dbraw/zinc/63/03/26/563630326.db2.gz VVBAJSBMCAXHAK-OUAUKWLOSA-N 1 0 376.258 2.593 20 0 GFADRO CSc1ccc(OC[C@H](O)C[N@@H+]2CC[C@H](C(F)(F)F)[C@H](CO)C2)cc1 ZINC000411716201 563630849 /nfs/dbraw/zinc/63/08/49/563630849.db2.gz FIIFZSJTALDEMD-ZENOOKHLSA-N 1 0 379.444 2.641 20 0 GFADRO CCS(=O)(=O)c1ccc([C@H](C)[NH2+]CC(=O)N(C)Cc2cccs2)cc1 ZINC000411764397 563633562 /nfs/dbraw/zinc/63/35/62/563633562.db2.gz FJWZAEBRDDNDKR-AWEZNQCLSA-N 1 0 380.535 2.851 20 0 GFADRO C[C@H](NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C)C[C@@H]1C)c1cccc(Cl)c1Cl ZINC000288211969 563633865 /nfs/dbraw/zinc/63/38/65/563633865.db2.gz OWMFSQNHSRUUCO-HUBLWGQQSA-N 1 0 386.323 2.969 20 0 GFADRO O=C(c1cc(F)c(Cl)cc1Cl)N1CC[NH+]([C@H]2CCNC(=O)CC2)CC1 ZINC000333563947 563636006 /nfs/dbraw/zinc/63/60/06/563636006.db2.gz WXKJLLVVOIXGIC-LLVKDONJSA-N 1 0 388.270 2.559 20 0 GFADRO C[NH+](C)CCN(Cc1cccs1)S(=O)(=O)c1cnc(Cl)c(F)c1 ZINC000288296119 563637036 /nfs/dbraw/zinc/63/70/36/563637036.db2.gz VSEYOXODVCNJRC-UHFFFAOYSA-N 1 0 377.894 2.688 20 0 GFADRO [NH3+][C@@H]1CCCO[C@H]1C1CCN(S(=O)(=O)c2cc(Cl)sc2Cl)CC1 ZINC000333633648 563637312 /nfs/dbraw/zinc/63/73/12/563637312.db2.gz HBHZAFVMCSBUJX-MFKMUULPSA-N 1 0 399.365 2.962 20 0 GFADRO C[C@H]1[C@H](NS(=O)(=O)Cc2ccc(Cl)nc2)CC[N@@H+]1Cc1ccccc1 ZINC000288299889 563637481 /nfs/dbraw/zinc/63/74/81/563637481.db2.gz GRSVILFKDSCDLM-WMLDXEAASA-N 1 0 379.913 2.817 20 0 GFADRO Cc1cc(S(=O)(=O)N2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)sc1Cl ZINC000333670423 563638598 /nfs/dbraw/zinc/63/85/98/563638598.db2.gz MZGAQGPNNDLCRM-QWHCGFSZSA-N 1 0 378.947 2.617 20 0 GFADRO C[C@@H]1CN(C(=O)NCc2cc(F)c(Cl)cc2F)CC[N@@H+]1CC(C)(C)O ZINC000434866322 563640053 /nfs/dbraw/zinc/64/00/53/563640053.db2.gz CBTDXTGNHKTYKD-LLVKDONJSA-N 1 0 375.847 2.605 20 0 GFADRO [NH3+][C@@H]1CCO[C@@H](C2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)C1 ZINC000333697937 563640054 /nfs/dbraw/zinc/64/00/54/563640054.db2.gz QKJKAWALSHLJMQ-UKRRQHHQSA-N 1 0 393.336 2.900 20 0 GFADRO COC[C@@H]1C[C@H](O)C[N@@H+]1[C@@H](C)C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl ZINC000411904870 563640262 /nfs/dbraw/zinc/64/02/62/563640262.db2.gz AQDHELJIKCUJPU-IMIFBBOLSA-N 1 0 375.296 2.641 20 0 GFADRO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(C(=O)NCc2cccc(Br)c2)CC1 ZINC000333730077 563640424 /nfs/dbraw/zinc/64/04/24/563640424.db2.gz HQRIZCBZEBHAEB-IAGOWNOFSA-N 1 0 396.329 2.877 20 0 GFADRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)N[C@@H](c3cncc(Br)c3)C3CC3)C[C@H]12 ZINC000333720825 563640653 /nfs/dbraw/zinc/64/06/53/563640653.db2.gz GOMBXGSSVHVBCG-MSQAHXEGSA-N 1 0 379.302 2.674 20 0 GFADRO [NH3+][C@@H]1CCO[C@H](C2CCN(S(=O)(=O)Cc3ccc(Cl)c(F)c3)CC2)C1 ZINC000333733799 563640661 /nfs/dbraw/zinc/64/06/61/563640661.db2.gz WOTKBACWVSNRDF-PBHICJAKSA-N 1 0 390.908 2.527 20 0 GFADRO C[C@@H](CN1CCOCC1)[N@H+](C)CC1=Cc2cc(Br)ccc2OC1 ZINC000435041575 563641384 /nfs/dbraw/zinc/64/13/84/563641384.db2.gz PZOPWAGQWWKOEA-AWEZNQCLSA-N 1 0 381.314 2.877 20 0 GFADRO O=C([C@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1)N1CCC2(CC[NH2+]2)CC1 ZINC000333788241 563641765 /nfs/dbraw/zinc/64/17/65/563641765.db2.gz FTHFLVPLQDKUKY-LBPRGKRZSA-N 1 0 382.291 2.701 20 0 GFADRO Cc1cc(Br)cn2c(C[N@@H+](C)[C@H](C)CN3CCOCC3)cnc12 ZINC000435057321 563642437 /nfs/dbraw/zinc/64/24/37/563642437.db2.gz JZIPFVYTKGSARO-CQSZACIVSA-N 1 0 381.318 2.558 20 0 GFADRO OC[C@@H]([NH2+]Cc1cccc(Br)c1OC(F)F)[C@H]1CCCOC1 ZINC000411981353 563643313 /nfs/dbraw/zinc/64/33/13/563643313.db2.gz AFLUFYYCJDUDIF-WCQYABFASA-N 1 0 380.229 2.928 20 0 GFADRO O=C(NC1CC[NH2+]CC1)N1CCC[C@H](Nc2cccc(Br)c2)C1 ZINC000333825226 563643311 /nfs/dbraw/zinc/64/33/11/563643311.db2.gz RRLKVSLCBQQGLC-INIZCTEOSA-N 1 0 381.318 2.787 20 0 GFADRO C[C@@H]1[C@@H](NC(=O)c2cc(Br)nn2C)CC[N@@H+]1Cc1ccccc1 ZINC000288444722 563643337 /nfs/dbraw/zinc/64/33/37/563643337.db2.gz YRNSFVJUOUYVHZ-OCCSQVGLSA-N 1 0 377.286 2.575 20 0 GFADRO C[C@H]1[C@@H](NC(=O)c2cc(Br)nn2C)CC[N@@H+]1Cc1ccccc1 ZINC000288444719 563643477 /nfs/dbraw/zinc/64/34/77/563643477.db2.gz YRNSFVJUOUYVHZ-JSGCOSHPSA-N 1 0 377.286 2.575 20 0 GFADRO C[C@H]1[C@H](NC(=O)c2cc(Br)nn2C)CC[N@@H+]1Cc1ccccc1 ZINC000288444716 563643676 /nfs/dbraw/zinc/64/36/76/563643676.db2.gz YRNSFVJUOUYVHZ-GXTWGEPZSA-N 1 0 377.286 2.575 20 0 GFADRO C[C@@H](CNC(=O)Nc1cc(Br)cn(C)c1=O)[N@@H+]1CCCC[C@H]1C ZINC000435175830 563643715 /nfs/dbraw/zinc/64/37/15/563643715.db2.gz FTMHECDPZXZXFA-NEPJUHHUSA-N 1 0 385.306 2.532 20 0 GFADRO OC[C@@H]([NH2+]Cc1ncc(-c2ccccc2Br)o1)[C@H]1CCCOC1 ZINC000412000819 563643960 /nfs/dbraw/zinc/64/39/60/563643960.db2.gz ZLOIRNJVWNSXRI-SWLSCSKDSA-N 1 0 381.270 2.981 20 0 GFADRO C[NH+](C)C[C@H]1CCCN1S(=O)(=O)c1cc(Br)sc1Cl ZINC000435209884 563644489 /nfs/dbraw/zinc/64/44/89/563644489.db2.gz FGNQQAYVQRIRIX-MRVPVSSYSA-N 1 0 387.752 2.879 20 0 GFADRO CN(C(=O)NCc1cc(Br)c2c(c1)OCCO2)[C@H]1CCC[NH2+]CC1 ZINC000333896118 563644638 /nfs/dbraw/zinc/64/46/38/563644638.db2.gz AQWRNZPGFXYBJY-ZDUSSCGKSA-N 1 0 398.301 2.504 20 0 GFADRO COCCOc1ccc(Cl)cc1C(=O)Nc1nc2c(s1)C[C@@H]([NH3+])CC2 ZINC000288493611 563645646 /nfs/dbraw/zinc/64/56/46/563645646.db2.gz ATVVFFPTWRVEJD-NSHDSACASA-N 1 0 381.885 2.890 20 0 GFADRO O=C(c1ccc(Cl)s1)N1CCC(C(=O)N(C2CC2)[C@H]2CC[NH2+]C2)CC1 ZINC000435243864 563646506 /nfs/dbraw/zinc/64/65/06/563646506.db2.gz ASMQTMHHUZNJSZ-AWEZNQCLSA-N 1 0 381.929 2.607 20 0 GFADRO O=C(c1ccc(Cl)s1)N1CCC(C(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)CC1 ZINC000435243866 563646522 /nfs/dbraw/zinc/64/65/22/563646522.db2.gz ASMQTMHHUZNJSZ-CQSZACIVSA-N 1 0 381.929 2.607 20 0 GFADRO CC(C)[N@H+](C[C@@H](O)COc1ccc(Cl)cc1Cl)C[C@H]1CCC(=O)N1 ZINC000412076798 563647061 /nfs/dbraw/zinc/64/70/61/563647061.db2.gz LEOOSCSBDHABFA-ZIAGYGMSSA-N 1 0 375.296 2.722 20 0 GFADRO COC(=O)c1ccc(Br)cc1C[N@H+](C[C@H]1CCC(=O)N1)C(C)C ZINC000412087828 563647713 /nfs/dbraw/zinc/64/77/13/563647713.db2.gz RWJKQGRNMVBWGQ-CQSZACIVSA-N 1 0 383.286 2.725 20 0 GFADRO CNC(=O)c1cccc(NC(=O)C2CC[NH+](C3CC3)CC2)c1Br ZINC000288682364 563653490 /nfs/dbraw/zinc/65/34/90/563653490.db2.gz BZTSHWGPDHQCRW-UHFFFAOYSA-N 1 0 380.286 2.622 20 0 GFADRO O=C(c1ccc(I)cn1)N1CCC[N@H+](CC2CCC2)CC1 ZINC000412310035 563653553 /nfs/dbraw/zinc/65/35/53/563653553.db2.gz DAHUFQNIKHQRJB-UHFFFAOYSA-N 1 0 399.276 2.634 20 0 GFADRO C[C@@H](CNC(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1)[NH+](C)C ZINC000412388520 563655880 /nfs/dbraw/zinc/65/58/80/563655880.db2.gz PJFIYNMVDUNPJK-GXTWGEPZSA-N 1 0 386.323 2.912 20 0 GFADRO COc1ccccc1CCNC(=O)C[NH2+]Cc1cccc(Br)c1 ZINC000435731196 563657524 /nfs/dbraw/zinc/65/75/24/563657524.db2.gz KASNERPUQCCYRR-UHFFFAOYSA-N 1 0 377.282 2.906 20 0 GFADRO Cc1ncsc1CN(CC(=O)NCc1ccc(Cl)s1)C[C@H]1CC[NH2+]C1 ZINC000435738512 563657817 /nfs/dbraw/zinc/65/78/17/563657817.db2.gz RTLADAFWOWGMFN-ZDUSSCGKSA-N 1 0 398.985 2.894 20 0 GFADRO COC(=O)CC[C@@H]([NH3+])C(=O)Nc1ncc(Cc2ccc(C)c(Cl)c2)s1 ZINC000288860979 563659781 /nfs/dbraw/zinc/65/97/81/563659781.db2.gz XTTCUUIPMNKBBB-CQSZACIVSA-N 1 0 381.885 2.915 20 0 GFADRO C[S@@](=O)c1ccc(CC(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)cc1 ZINC000436071321 563663425 /nfs/dbraw/zinc/66/34/25/563663425.db2.gz PFVDAWMOODQGOI-SSOJOUAXSA-N 1 0 376.547 2.981 20 0 GFADRO C[S@](=O)c1ccc(CC(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)cc1 ZINC000436071320 563663585 /nfs/dbraw/zinc/66/35/85/563663585.db2.gz PFVDAWMOODQGOI-NSYGIPOTSA-N 1 0 376.547 2.981 20 0 GFADRO O=C(c1ccc(C2SCCCS2)cc1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000289168073 563670203 /nfs/dbraw/zinc/67/02/03/563670203.db2.gz HMVLVRXOGINTDD-QGZVFWFLSA-N 1 0 377.579 2.675 20 0 GFADRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)c2cc(Br)ccc2O)C1 ZINC000436858748 563682368 /nfs/dbraw/zinc/68/23/68/563682368.db2.gz VKVMZJPMAZHTPF-CQSZACIVSA-N 1 0 385.302 2.728 20 0 GFADRO Brc1c(C[NH2+]C2CCN(c3cccnn3)CC2)nc2ccccn21 ZINC000289791895 563686611 /nfs/dbraw/zinc/68/66/11/563686611.db2.gz RXBHEZXRIPXERJ-UHFFFAOYSA-N 1 0 387.285 2.645 20 0 GFADRO Brc1ccn2cc(C[NH2+][C@@H]3CCCN(c4ncccn4)C3)nc2c1 ZINC000289825513 563687895 /nfs/dbraw/zinc/68/78/95/563687895.db2.gz JKVOYEZNGCEJIL-CQSZACIVSA-N 1 0 387.285 2.645 20 0 GFADRO COc1ccc([C@@H](NC(=O)[C@@H](C[NH3+])OC)c2ccccc2)cc1Br ZINC000289845065 563688810 /nfs/dbraw/zinc/68/88/10/563688810.db2.gz FKRGFUQNHXGLLZ-SJORKVTESA-N 1 0 393.281 2.637 20 0 GFADRO O=C(c1ccc(C2SCCS2)cc1)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000360585312 563693648 /nfs/dbraw/zinc/69/36/48/563693648.db2.gz RCVAWZUKODUKIX-IAGOWNOFSA-N 1 0 378.563 2.836 20 0 GFADRO CN(C)[C@@H](C[NH2+][C@@H]1CCCc2ccc(S(N)(=O)=O)cc21)c1cccs1 ZINC000290011146 563694274 /nfs/dbraw/zinc/69/42/74/563694274.db2.gz ZLOFFNWCWZDRAY-SJORKVTESA-N 1 0 379.551 2.665 20 0 GFADRO O=C(NCc1sccc1Br)NC[C@H]1CN2CCCC[C@@H]2CO1 ZINC000360735717 563694492 /nfs/dbraw/zinc/69/44/92/563694492.db2.gz DQTCOTGNBOHKQR-NEPJUHHUSA-N 1 0 388.331 2.563 20 0 GFADRO O=C1CCCN1C[C@H](O)C[NH2+][C@H](c1cc(Cl)ccc1Cl)[C@H]1CCOC1 ZINC000360808736 563695470 /nfs/dbraw/zinc/69/54/70/563695470.db2.gz FVZMAMJPQQUWNT-WRSAYESZSA-N 1 0 387.307 2.644 20 0 GFADRO C[C@H](C[NH2+]Cc1cn(-c2ccccc2Br)nn1)Cn1ccnc1 ZINC000290017054 563695388 /nfs/dbraw/zinc/69/53/88/563695388.db2.gz UWMNTBSBKKCGGJ-CYBMUJFWSA-N 1 0 375.274 2.652 20 0 GFADRO O=C(C[N@@H+]1CCS[C@H]2CCCC[C@@H]21)N1CCN(Cc2ccsc2)CC1 ZINC000437507303 563696159 /nfs/dbraw/zinc/69/61/59/563696159.db2.gz LULHOFUACDCAES-ROUUACIJSA-N 1 0 379.595 2.752 20 0 GFADRO COc1cc([C@@H](C)[NH2+][C@H](CO)C2CCCC2)ccc1S(=O)(=O)C(F)F ZINC000290071921 563697484 /nfs/dbraw/zinc/69/74/84/563697484.db2.gz GDSGCPDWCHHZAX-BXUZGUMPSA-N 1 0 377.453 2.893 20 0 GFADRO O=S(=O)(c1sccc1Br)N1C[C@H]2[C@H](C1)C[N@@H+]1CCCC[C@@H]21 ZINC000361476089 563700203 /nfs/dbraw/zinc/70/02/03/563700203.db2.gz ABUDBNNACJOCRP-GVXVVHGQSA-N 1 0 391.356 2.615 20 0 GFADRO O=C(c1cccc(I)c1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000290176185 563700733 /nfs/dbraw/zinc/70/07/33/563700733.db2.gz PEZPMRSFMYEKGT-AWEZNQCLSA-N 1 0 384.261 2.753 20 0 GFADRO O=S1(=O)CCC[C@H](C[NH2+]CC2=Cc3cc(Br)ccc3OC2)C1 ZINC000290198596 563700747 /nfs/dbraw/zinc/70/07/47/563700747.db2.gz UNGIQKBGGMYRPK-GFCCVEGCSA-N 1 0 386.311 2.639 20 0 GFADRO COc1ccc(Cl)cc1C[C@H]1CCC[N@H+](CCN2CCCS2(=O)=O)C1 ZINC000438078202 563701393 /nfs/dbraw/zinc/70/13/93/563701393.db2.gz WVEVNRPWCIVGOM-OAHLLOKOSA-N 1 0 386.945 2.639 20 0 GFADRO Brc1c(CNC2CC[NH+](C[C@H]3CCOC3)CC2)nc2ccccn21 ZINC000290208356 563701506 /nfs/dbraw/zinc/70/15/06/563701506.db2.gz DPEKDVBHBUTRBG-CQSZACIVSA-N 1 0 393.329 2.687 20 0 GFADRO C[C@@H](C(=O)N(C)[C@@H](C(N)=O)c1cccc(Br)c1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000413666894 563701793 /nfs/dbraw/zinc/70/17/93/563701793.db2.gz HQZUBHIWSNEJOE-RSUWNVLCSA-N 1 0 396.329 2.695 20 0 GFADRO O=C(c1cc(Br)c2c(c1)OCCO2)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000290224056 563702146 /nfs/dbraw/zinc/70/21/46/563702146.db2.gz TZPAGDGUTQEYIW-CYBMUJFWSA-N 1 0 395.297 2.682 20 0 GFADRO C[C@@H](C[NH2+][C@H]1CCN(c2ccn(C)n2)C1=O)c1cccc(Br)c1 ZINC000362035408 563702627 /nfs/dbraw/zinc/70/26/27/563702627.db2.gz ZZLRZWNVROLYFL-WFASDCNBSA-N 1 0 377.286 2.681 20 0 GFADRO C[C@@H]([NH2+][C@@H](CO)C1CCCC1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000290268726 563703075 /nfs/dbraw/zinc/70/30/75/563703075.db2.gz VYJLOALOAMUDBF-OTYXRUKQSA-N 1 0 381.325 2.843 20 0 GFADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc(I)c(F)c3)C[C@@H]21 ZINC000362474371 563708005 /nfs/dbraw/zinc/70/80/05/563708005.db2.gz RZBPQKQOQBWVEM-YGRLFVJLSA-N 1 0 388.224 2.597 20 0 GFADRO O=C(Nc1cnc2c(c1)C[NH2+]CC2)c1cc(=O)[nH]c2ccc(Br)cc21 ZINC000362636513 563708013 /nfs/dbraw/zinc/70/80/13/563708013.db2.gz FGSBDFYGZKDRAQ-UHFFFAOYSA-N 1 0 399.248 2.996 20 0 GFADRO O[C@H](C[NH2+]C1(c2ccc(Br)cc2)CCCC1)CN1CCOCC1 ZINC000438754708 563709694 /nfs/dbraw/zinc/70/96/94/563709694.db2.gz JYDBPQXGPOKTCB-QGZVFWFLSA-N 1 0 383.330 2.501 20 0 GFADRO CC[NH+](CC)[C@H](C)CNC(=O)C1(c2cccc(Br)c2)CC(=O)C1 ZINC000438765375 563710263 /nfs/dbraw/zinc/71/02/63/563710263.db2.gz NYDWWVDMKQLMKC-CYBMUJFWSA-N 1 0 381.314 2.896 20 0 GFADRO CN1C(=O)N[C@@]2(CCC[C@H]2C[NH2+]Cc2cnc(-c3cccs3)s2)C1=O ZINC000362840730 563710545 /nfs/dbraw/zinc/71/05/45/563710545.db2.gz QVCWIGOLEOJABE-APPDUMDISA-N 1 0 376.507 2.682 20 0 GFADRO O=C(C[C@@H]1Sc2ccc(Cl)cc2NC1=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000363020823 563712213 /nfs/dbraw/zinc/71/22/13/563712213.db2.gz VPGPSLMNAQEBMB-WWGRRREGSA-N 1 0 379.913 2.886 20 0 GFADRO O=C(Nc1ccc(Br)cc1F)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000363070694 563713506 /nfs/dbraw/zinc/71/35/06/563713506.db2.gz VPVQDFOEAJQPFP-LSDHHAIUSA-N 1 0 386.265 2.651 20 0 GFADRO O=C(Nc1ccc(Br)cc1F)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000363070691 563713607 /nfs/dbraw/zinc/71/36/07/563713607.db2.gz VPVQDFOEAJQPFP-CABCVRRESA-N 1 0 386.265 2.651 20 0 GFADRO O=C(C[N@H+]1CCC[C@@H]1Cc1ccc(Br)cc1)NC1CCOCC1 ZINC000363093850 563714026 /nfs/dbraw/zinc/71/40/26/563714026.db2.gz LWVDFGMAWLZSQN-QGZVFWFLSA-N 1 0 381.314 2.751 20 0 GFADRO C[C@H](c1ncc(Br)cn1)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000438990184 563714594 /nfs/dbraw/zinc/71/45/94/563714594.db2.gz XEXIKXBKRXFWSS-OWCLPIDISA-N 1 0 396.377 2.791 20 0 GFADRO CCCC[N@H+](C)C[C@@H](C)NC(=O)c1cc(Cn2cc(Br)cn2)on1 ZINC000290681129 563717555 /nfs/dbraw/zinc/71/75/55/563717555.db2.gz UBDVZQLDNBFRGX-GFCCVEGCSA-N 1 0 398.305 2.532 20 0 GFADRO CS(=O)(=O)c1cccc(Cl)c1C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000439173641 563718410 /nfs/dbraw/zinc/71/84/10/563718410.db2.gz XEYMUSNZQSMXQO-CQSZACIVSA-N 1 0 384.929 2.834 20 0 GFADRO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+][C@H]1COc2ccc(F)cc2C1 ZINC000414133847 563720510 /nfs/dbraw/zinc/72/05/10/563720510.db2.gz DCHLHSMYWXZPOP-XHDPSFHLSA-N 1 0 381.245 2.732 20 0 GFADRO O[C@H](COc1ccccc1F)C[NH+]1CCC(n2cc(Br)cn2)CC1 ZINC000363397394 563721348 /nfs/dbraw/zinc/72/13/48/563721348.db2.gz NSMFDIMQLPMMHE-HNNXBMFYSA-N 1 0 398.276 2.862 20 0 GFADRO COC(=O)CC1([NH2+]Cc2ccc(Cl)cc2Cl)CCS(=O)(=O)CC1 ZINC000439264535 563721531 /nfs/dbraw/zinc/72/15/31/563721531.db2.gz YMQYRAGWYJUYIT-UHFFFAOYSA-N 1 0 380.293 2.594 20 0 GFADRO COC(=O)CC1([NH2+]Cc2ccc(SC(C)C)cc2)CCS(=O)(=O)CC1 ZINC000439256022 563721647 /nfs/dbraw/zinc/72/16/47/563721647.db2.gz GZBZGNWRPZNJIE-UHFFFAOYSA-N 1 0 385.551 2.787 20 0 GFADRO C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]CCC(C)(C)S(C)(=O)=O ZINC000414258491 563723823 /nfs/dbraw/zinc/72/38/23/563723823.db2.gz MBNZQCLVTQFWAK-CQSZACIVSA-N 1 0 388.961 2.880 20 0 GFADRO C[C@H]([NH2+]C[C@H]1C[C@@H](C)O[C@@H]1C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000414261778 563724123 /nfs/dbraw/zinc/72/41/23/563724123.db2.gz OELQPMZISRPRAX-LSCVPOLPSA-N 1 0 391.331 2.561 20 0 GFADRO CC(C)[C@H](CNCc1ccc(S(N)(=O)=O)c(Cl)c1)[NH+]1CCC(C)CC1 ZINC000414279152 563724858 /nfs/dbraw/zinc/72/48/58/563724858.db2.gz YLZKUHHLQOIELY-KRWDZBQOSA-N 1 0 387.977 2.834 20 0 GFADRO C[N@H+](C[C@@H](O)COc1cc(F)cc(Br)c1)[C@H](CO)c1ccccc1 ZINC000439433995 563724859 /nfs/dbraw/zinc/72/48/59/563724859.db2.gz ASHRZXDNMAZNCS-SJLPKXTDSA-N 1 0 398.272 2.993 20 0 GFADRO CC[C@@H]([NH2+]CCCCn1cc(C(N)=O)nn1)c1ccccc1Br ZINC000414347276 563728634 /nfs/dbraw/zinc/72/86/34/563728634.db2.gz HHDASGSIUKMTAQ-CQSZACIVSA-N 1 0 380.290 2.661 20 0 GFADRO COC(=O)CCCN1CCC([NH2+][C@@H](C)c2ccc(Br)cn2)CC1 ZINC000291025066 563729952 /nfs/dbraw/zinc/72/99/52/563729952.db2.gz HSJGZPVQNJXOSR-ZDUSSCGKSA-N 1 0 384.318 2.912 20 0 GFADRO CS(=O)(=O)c1ccc(C[NH2+]CCOc2cccc(C(F)(F)F)n2)s1 ZINC000414370535 563730271 /nfs/dbraw/zinc/73/02/71/563730271.db2.gz WTOGICSGGZVCIU-UHFFFAOYSA-N 1 0 380.413 2.734 20 0 GFADRO CCN(C[C@H]1CCN(Cc2ccc(S(C)(=O)=O)s2)C1)CC(F)(F)F ZINC000414416161 563735542 /nfs/dbraw/zinc/73/55/42/563735542.db2.gz VVECDHBGFWFHEF-GFCCVEGCSA-N 1 0 384.489 2.858 20 0 GFADRO COC(=O)c1ccc(S(=O)(=O)N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)c(Cl)c1 ZINC000440100496 563736468 /nfs/dbraw/zinc/73/64/68/563736468.db2.gz RPOQSZXEARSYFN-QWHCGFSZSA-N 1 0 388.917 2.525 20 0 GFADRO C[C@H]([NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1)c1csc(-c2ccccc2F)n1 ZINC000291266483 563737160 /nfs/dbraw/zinc/73/71/60/563737160.db2.gz QJITURNPARBRDQ-STQMWFEESA-N 1 0 383.514 2.881 20 0 GFADRO O=S(=O)(c1cc(F)cc(Cl)c1)N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000414465067 563741968 /nfs/dbraw/zinc/74/19/68/563741968.db2.gz QXQKWXPRHWZGFS-MRXNPFEDSA-N 1 0 390.908 2.745 20 0 GFADRO COc1ccc(Br)cc1S(=O)(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000440430993 563742165 /nfs/dbraw/zinc/74/21/65/563742165.db2.gz VSGALVBPBGMRFE-NSHDSACASA-N 1 0 399.310 2.956 20 0 GFADRO CC1(c2ccc(Br)cc2)CC[NH+](CCN2C(=O)CCC2=O)CC1 ZINC000440495974 563743151 /nfs/dbraw/zinc/74/31/51/563743151.db2.gz MXNAGGZLFXLCSW-UHFFFAOYSA-N 1 0 379.298 2.952 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S(=O)(=O)CC[NH2+][C@@H](C)[C@H](C)CC ZINC000440525982 563744006 /nfs/dbraw/zinc/74/40/06/563744006.db2.gz WGTAISAPJHKHFU-CABCVRRESA-N 1 0 375.556 2.668 20 0 GFADRO CCCOc1c(Br)cc(C[NH2+]C[C@H]2CNC(=O)C2)cc1OCC ZINC000414487058 563744269 /nfs/dbraw/zinc/74/42/69/563744269.db2.gz RTBVQVCPWZRHTF-ZDUSSCGKSA-N 1 0 385.302 2.862 20 0 GFADRO CC(C)(O)C[N@@H+]1CCCN(C(=O)[C@H]2C[C@@H]2c2cccc(Br)c2)CC1 ZINC000364157914 563744806 /nfs/dbraw/zinc/74/48/06/563744806.db2.gz BFYVIVVOYAYQFW-SJORKVTESA-N 1 0 395.341 2.858 20 0 GFADRO COc1sc(C[NH2+]CC2(CS(C)(=O)=O)CCC2)cc1Br ZINC000414551319 563745754 /nfs/dbraw/zinc/74/57/54/563745754.db2.gz FHGKXSBEBYJYSP-UHFFFAOYSA-N 1 0 382.345 2.824 20 0 GFADRO CCS(=O)(=O)CCC[NH2+]Cc1ccc(OC(F)F)c(Br)c1 ZINC000414545059 563746167 /nfs/dbraw/zinc/74/61/67/563746167.db2.gz PYJYGTZOCHWSAS-UHFFFAOYSA-N 1 0 386.258 2.965 20 0 GFADRO Brc1cc(CN2CCOC3(CCOCC3)CC2)cc2c1OCCO2 ZINC000364237698 563746926 /nfs/dbraw/zinc/74/69/26/563746926.db2.gz ORUPWQVTOWJKDN-UHFFFAOYSA-N 1 0 398.297 2.992 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+][C@@H]1CCC[C@H](CO)C1 ZINC000414571138 563747153 /nfs/dbraw/zinc/74/71/53/563747153.db2.gz KBKCYELFHWYUCS-HEHGZKQESA-N 1 0 399.329 2.603 20 0 GFADRO C[NH2+]C[C@H]1CCCN(S(=O)(=O)c2cc(Cl)ccc2Br)C1 ZINC000440742979 563748934 /nfs/dbraw/zinc/74/89/34/563748934.db2.gz WEXKJZBBDPGRBM-SNVBAGLBSA-N 1 0 381.723 2.723 20 0 GFADRO [NH3+]CC[C@H]1CCCN(S(=O)(=O)c2cc(Cl)c(Br)cc2F)C1 ZINC000440804575 563750568 /nfs/dbraw/zinc/75/05/68/563750568.db2.gz CNMDVJVPRVZYPQ-SECBINFHSA-N 1 0 399.713 2.991 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)Nc1nnc(SCc2ccccc2)s1 ZINC000414698290 563750738 /nfs/dbraw/zinc/75/07/38/563750738.db2.gz CWCNZCNKACIMHN-JSGCOSHPSA-N 1 0 377.539 3.564 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000414725336 563750898 /nfs/dbraw/zinc/75/08/98/563750898.db2.gz VYKFQUHPJKJLJQ-CQSZACIVSA-N 1 0 397.317 2.609 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)Nc2nnc(SCc3ccccc3)s2)C1 ZINC000414713785 563751175 /nfs/dbraw/zinc/75/11/75/563751175.db2.gz UIWBXJWDARTHLP-OCCSQVGLSA-N 1 0 377.539 3.422 20 0 GFADRO C[NH2+]CCC1CCN(S(=O)(=O)c2ccc(Br)cc2C)CC1 ZINC000440843155 563751875 /nfs/dbraw/zinc/75/18/75/563751875.db2.gz KHVNULPBYSVRLA-UHFFFAOYSA-N 1 0 375.332 2.768 20 0 GFADRO C[NH2+]Cc1ccc(NC(=O)C(=O)N(C)Cc2csc(Br)c2)cc1 ZINC000414742963 563752068 /nfs/dbraw/zinc/75/20/68/563752068.db2.gz GTKDFDANLPZIRI-UHFFFAOYSA-N 1 0 396.310 2.827 20 0 GFADRO [NH3+]C[C@@H]1CCN(C(=O)Nc2ccc(I)cc2Cl)C1 ZINC000414785912 563752817 /nfs/dbraw/zinc/75/28/17/563752817.db2.gz ADMYPXLCKKKTHE-QMMMGPOBSA-N 1 0 379.629 2.757 20 0 GFADRO C[NH2+]CCNCc1cc(I)c(Br)cc1F ZINC000414839032 563753509 /nfs/dbraw/zinc/75/35/09/563753509.db2.gz ZVWFXSLYEXNLNL-UHFFFAOYSA-N 1 0 387.034 2.502 20 0 GFADRO CC(C)C[C@@H](C[NH3+])NC(=O)Nc1cc(Br)ccc1N1CCOCC1 ZINC000414925973 563754699 /nfs/dbraw/zinc/75/46/99/563754699.db2.gz JLTLDIAITGWHGV-AWEZNQCLSA-N 1 0 399.333 2.781 20 0 GFADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@H](C)c3cccc(Br)c3)C2)CC1 ZINC000291721141 563755601 /nfs/dbraw/zinc/75/56/01/563755601.db2.gz PUGLWRVEAYGAPE-CRAIPNDOSA-N 1 0 394.357 2.791 20 0 GFADRO C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+]1CC[C@H](n2cccn2)C1 ZINC000291724384 563755816 /nfs/dbraw/zinc/75/58/16/563755816.db2.gz JFSSNTUSFQREJV-YOEHRIQHSA-N 1 0 391.313 2.940 20 0 GFADRO C[NH2+]CCN(C)C(=O)Nc1ccc(=O)n(Cc2ccc(Cl)c(Cl)c2)c1 ZINC000415057206 563757598 /nfs/dbraw/zinc/75/75/98/563757598.db2.gz RKKBTTPZCJABIP-UHFFFAOYSA-N 1 0 383.279 2.887 20 0 GFADRO C[C@H]1CCNC(=O)[C@H]1[NH2+]Cc1ccc(OC(F)(F)F)c(Br)c1 ZINC000441333374 563758061 /nfs/dbraw/zinc/75/80/61/563758061.db2.gz SHAICYHONVILLB-UFBFGSQYSA-N 1 0 381.192 2.962 20 0 GFADRO COc1ccc(C[NH2+]CCNS(=O)(=O)c2ccc(Cl)cc2F)cc1F ZINC000441345841 563758238 /nfs/dbraw/zinc/75/82/38/563758238.db2.gz INTCVTBVJWVNGY-UHFFFAOYSA-N 1 0 390.839 2.695 20 0 GFADRO C[C@H]([NH2+]CCNS(=O)(=O)c1ccc(Cl)cc1F)c1cncc(F)c1 ZINC000441344269 563758304 /nfs/dbraw/zinc/75/83/04/563758304.db2.gz DHNVTLKESRWZCW-JTQLQIEISA-N 1 0 375.828 2.642 20 0 GFADRO COc1ccc(I)c(NC(=O)N2CC[C@](C)(C[NH3+])C2)c1 ZINC000415076611 563758775 /nfs/dbraw/zinc/75/87/75/563758775.db2.gz RYNLBAJOZBTDIN-CQSZACIVSA-N 1 0 389.237 2.502 20 0 GFADRO [NH3+]C[C@H]1CN(Cc2ccc(OC(F)(F)F)c(Br)c2)CCCO1 ZINC000415106585 563759440 /nfs/dbraw/zinc/75/94/40/563759440.db2.gz JTQWIBJBOXRXNQ-NSHDSACASA-N 1 0 383.208 2.897 20 0 GFADRO C[C@@H]1CN(C(=O)Nc2cc(Br)ccc2-n2cccn2)[C@@H](C)C[NH2+]1 ZINC000415160414 563761182 /nfs/dbraw/zinc/76/11/82/563761182.db2.gz LGOPVIXGXGXDAR-NEPJUHHUSA-N 1 0 378.274 2.849 20 0 GFADRO C[C@H]1CN(C(=O)Nc2cc(Br)ccc2-n2cccn2)[C@@H](C)C[NH2+]1 ZINC000415160416 563761304 /nfs/dbraw/zinc/76/13/04/563761304.db2.gz LGOPVIXGXGXDAR-RYUDHWBXSA-N 1 0 378.274 2.849 20 0 GFADRO C[C@H]1CN(S(=O)(=O)c2ccc(Cl)nc2Cl)CC[N@@H+](C2CCC2)C1 ZINC000291870412 563762443 /nfs/dbraw/zinc/76/24/43/563762443.db2.gz JSNAPNHXZMLMBG-LLVKDONJSA-N 1 0 378.325 2.883 20 0 GFADRO C[C@H]([NH3+])CCNC(=O)Nc1ccc(CCn2cc(Br)cn2)cc1 ZINC000415215216 563762816 /nfs/dbraw/zinc/76/28/16/563762816.db2.gz RPUYNWQAQIERFG-LBPRGKRZSA-N 1 0 380.290 2.747 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)Nc2cc(F)c(F)cc2I)C1 ZINC000415237422 563763183 /nfs/dbraw/zinc/76/31/83/563763183.db2.gz ILRKHWYKBSWPHJ-JGVFFNPUSA-N 1 0 395.191 2.770 20 0 GFADRO CN(C(=O)c1ccc(NC(=O)[C@@H]2CC2(Cl)Cl)cc1)[C@H]1CCC[N@H+](C)C1 ZINC000364794860 563763907 /nfs/dbraw/zinc/76/39/07/563763907.db2.gz NHWMRBPIYJQWTO-GJZGRUSLSA-N 1 0 384.307 2.985 20 0 GFADRO O=C(Nc1ccc(Cl)c(C(=O)NCc2cccs2)c1)N[C@H]1CC[NH2+]C1 ZINC000415254978 563764220 /nfs/dbraw/zinc/76/42/20/563764220.db2.gz LCTNOTDRAWJMBD-LBPRGKRZSA-N 1 0 378.885 2.815 20 0 GFADRO [NH3+][C@H]1CCCN(C(=O)Nc2ccc(Cl)cc2I)C1 ZINC000415284101 563765651 /nfs/dbraw/zinc/76/56/51/563765651.db2.gz OJEVEQHWTLIGTD-VIFPVBQESA-N 1 0 379.629 2.900 20 0 GFADRO [NH3+]C[C@H]1CCN(C(=O)Nc2ccc(Cl)cc2I)C1 ZINC000415282251 563765656 /nfs/dbraw/zinc/76/56/56/563765656.db2.gz KCDRMYJEZFJLNZ-MRVPVSSYSA-N 1 0 379.629 2.757 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000415293314 563766121 /nfs/dbraw/zinc/76/61/21/563766121.db2.gz LZUHUTYTCBJHGG-OAHLLOKOSA-N 1 0 381.318 2.523 20 0 GFADRO [NH3+]C1(CNC(=O)C(=O)Nc2ccc(Br)cc2F)CCCCCC1 ZINC000415315911 563766664 /nfs/dbraw/zinc/76/66/64/563766664.db2.gz MPQPKXWTXOVMEA-UHFFFAOYSA-N 1 0 386.265 2.695 20 0 GFADRO CN(C(=O)C(=O)Nc1cccc(Cl)c1SCC(F)F)C1CC[NH2+]CC1 ZINC000415316209 563766675 /nfs/dbraw/zinc/76/66/75/563766675.db2.gz AJRWALXTHBJULO-UHFFFAOYSA-N 1 0 391.871 2.846 20 0 GFADRO CCOC(=O)c1c(NC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)sc2c1CCCS2 ZINC000415334217 563767381 /nfs/dbraw/zinc/76/73/81/563767381.db2.gz JZOQJRKPANJJJD-PWSUYJOCSA-N 1 0 381.523 2.789 20 0 GFADRO CCOC(=O)c1c(NC(=O)N2C[C@H](C[NH3+])C[C@H]2C)sc2c1CCSC2 ZINC000415335286 563767382 /nfs/dbraw/zinc/76/73/82/563767382.db2.gz LDIAAZJYKOOJBN-MNOVXSKESA-N 1 0 383.539 2.915 20 0 GFADRO O=C(NC[C@H]1CCC[NH2+]C1)C(=O)Nc1ccc(Br)c2ccccc12 ZINC000415333242 563767394 /nfs/dbraw/zinc/76/73/94/563767394.db2.gz OITPWKQMHNMQOM-LBPRGKRZSA-N 1 0 390.281 2.657 20 0 GFADRO O=C(NC[C@@H]1CCC[NH2+]C1)C(=O)Nc1cccc(Cl)c1SCC(F)F ZINC000415332727 563767525 /nfs/dbraw/zinc/76/75/25/563767525.db2.gz NXPAEIYVEZLIBY-SNVBAGLBSA-N 1 0 391.871 2.752 20 0 GFADRO C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1NC(=O)Nc1cccc(Br)n1 ZINC000364890958 563768016 /nfs/dbraw/zinc/76/80/16/563768016.db2.gz XOFMPMNRVCAEOJ-RDBSUJKOSA-N 1 0 397.317 2.855 20 0 GFADRO COC(=O)c1cc(Br)ccc1NC(=O)N[C@H]1CC[NH2+]CC1(C)C ZINC000415338307 563768090 /nfs/dbraw/zinc/76/80/90/563768090.db2.gz WFOXKZFPVDTGNA-ZDUSSCGKSA-N 1 0 384.274 2.745 20 0 GFADRO CO[C@@H]1CCN(C(=O)Nc2cc(F)c(Br)cc2F)[C@H](C[NH3+])C1 ZINC000415347331 563768793 /nfs/dbraw/zinc/76/87/93/563768793.db2.gz CXWSRDYJJHVQRY-DTWKUNHWSA-N 1 0 378.217 2.697 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N[C@@H](C)[C@H]2CCC[NH2+]C2)c(Br)c1 ZINC000415346040 563768900 /nfs/dbraw/zinc/76/89/00/563768900.db2.gz BFGGAYBVOYOLFI-STQMWFEESA-N 1 0 382.302 2.509 20 0 GFADRO CC(C)Oc1cc(Br)cc(NC(=O)C(=O)NC2CCC([NH3+])CC2)c1 ZINC000415352383 563769344 /nfs/dbraw/zinc/76/93/44/563769344.db2.gz KMYXUEKHYZNIPQ-UHFFFAOYSA-N 1 0 398.301 2.561 20 0 GFADRO C[C@H](NC(=O)C(=O)Nc1ccc(Br)c(Cl)c1)[C@@H]1CCC[NH2+]C1 ZINC000415357114 563770112 /nfs/dbraw/zinc/77/01/12/563770112.db2.gz VYVBTZZKURKGAI-VHSXEESVSA-N 1 0 388.693 2.545 20 0 GFADRO Cn1cc([C@@H]2[C@@H](CNC(=O)c3cc(Cl)cc(Cl)n3)CCC[N@@H+]2C)cn1 ZINC000364961065 563770534 /nfs/dbraw/zinc/77/05/34/563770534.db2.gz OABVAPNXXFCBPU-BZNIZROVSA-N 1 0 382.295 2.935 20 0 GFADRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)Nc2cccc(F)c2I)C1 ZINC000415359845 563770664 /nfs/dbraw/zinc/77/06/64/563770664.db2.gz LCJSEWXKEWNKRD-RKDXNWHRSA-N 1 0 377.201 2.679 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)Nc2ccc(C(F)(F)F)cc2Br)CCO1 ZINC000415362412 563770688 /nfs/dbraw/zinc/77/06/88/563770688.db2.gz VNDDRUMBULKTGA-VIFPVBQESA-N 1 0 382.180 2.659 20 0 GFADRO COc1cc(S(=O)(=O)NC[C@@H]2CC[N@H+](C)[C@H]2c2cccs2)ccc1F ZINC000364988882 563771049 /nfs/dbraw/zinc/77/10/49/563771049.db2.gz GUGOLXOMHWDQJL-YVEFUNNKSA-N 1 0 384.498 2.867 20 0 GFADRO C[C@@H]([NH3+])C1CCN(C(=O)C(=O)Nc2cccc(Cl)c2Br)CC1 ZINC000415379699 563771250 /nfs/dbraw/zinc/77/12/50/563771250.db2.gz FOSMRJPVCWCSFH-SECBINFHSA-N 1 0 388.693 2.627 20 0 GFADRO O=C(Nc1cccc(F)c1I)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000415367421 563771265 /nfs/dbraw/zinc/77/12/65/563771265.db2.gz YEFUQIHQUKIRNY-VHSXEESVSA-N 1 0 389.212 2.504 20 0 GFADRO CCCN(C(=O)C(=O)Nc1cc(Cl)ccc1C(F)(F)F)[C@H]1CC[NH2+]C1 ZINC000415392694 563771740 /nfs/dbraw/zinc/77/17/40/563771740.db2.gz NVWNKXAWHCIOKB-NSHDSACASA-N 1 0 377.794 2.898 20 0 GFADRO Cc1cc(F)c(NC(=O)N2C[C@H](C)[NH2+]C[C@H]2C)c(I)c1 ZINC000415388057 563772032 /nfs/dbraw/zinc/77/20/32/563772032.db2.gz HOMVJGLYTNPQJG-VHSXEESVSA-N 1 0 391.228 2.953 20 0 GFADRO C[NH2+]C[C@H]1CCN(C(=O)C(=O)Nc2ccc(Br)cc2C(C)C)C1 ZINC000415390329 563772122 /nfs/dbraw/zinc/77/21/22/563772122.db2.gz GCTIWEQCWZTVNV-GFCCVEGCSA-N 1 0 382.302 2.579 20 0 GFADRO COc1cc(Br)cc(NC(=O)N2CCC(OCCC[NH3+])CC2)c1 ZINC000415398943 563772505 /nfs/dbraw/zinc/77/25/05/563772505.db2.gz RDRWLSKNXBDVQG-UHFFFAOYSA-N 1 0 386.290 2.819 20 0 GFADRO Cc1cc(F)c(NC(=O)NC[C@@H]([NH3+])C(C)C)c(I)c1 ZINC000415396747 563772668 /nfs/dbraw/zinc/77/26/68/563772668.db2.gz UXNZQVIVUMSYQD-LLVKDONJSA-N 1 0 379.217 2.844 20 0 GFADRO O=C(NCC[C@@H]1CCC[NH2+]C1)C(=O)Nc1cc(Cl)cc(Br)c1 ZINC000415406976 563773102 /nfs/dbraw/zinc/77/31/02/563773102.db2.gz FFEQDLUITQMIMT-JTQLQIEISA-N 1 0 388.693 2.547 20 0 GFADRO Cc1cc(F)c(NC(=O)N(C)C2CC[NH2+]CC2)c(I)c1 ZINC000415407362 563773108 /nfs/dbraw/zinc/77/31/08/563773108.db2.gz QNTQLYCFAULGDQ-UHFFFAOYSA-N 1 0 391.228 2.954 20 0 GFADRO COC(=O)c1cc(NC(=O)N(C2CC2)[C@H]2CC[NH2+]C2)ccc1Br ZINC000415413990 563773604 /nfs/dbraw/zinc/77/36/04/563773604.db2.gz ZJBZUTXNGWSZOG-LBPRGKRZSA-N 1 0 382.258 2.594 20 0 GFADRO COC(=O)c1cc(NC(=O)N2CCCC[C@@H]2[C@H](C)[NH3+])ccc1Br ZINC000415409411 563773677 /nfs/dbraw/zinc/77/36/77/563773677.db2.gz STLIYBBBPVFVSD-IINYFYTJSA-N 1 0 384.274 2.969 20 0 GFADRO COc1cc(NC(=O)N2C[C@@H](C)[C@](C)(C[NH3+])C2)cc(OC)c1Br ZINC000415409522 563773830 /nfs/dbraw/zinc/77/38/30/563773830.db2.gz IOQCRIXOFJDZRQ-QLJPJBMISA-N 1 0 386.290 2.915 20 0 GFADRO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)Nc1ccc(Cl)c(Br)c1 ZINC000415421108 563774181 /nfs/dbraw/zinc/77/41/81/563774181.db2.gz BVVVGZOOFRTIDL-JTQLQIEISA-N 1 0 376.682 2.531 20 0 GFADRO OC[C@H]1CCCC[N@H+](Cc2ccc(Br)cc2N2CCOCC2)C1 ZINC000365123695 563774796 /nfs/dbraw/zinc/77/47/96/563774796.db2.gz HVYOTLRGHGEAGU-HNNXBMFYSA-N 1 0 383.330 2.880 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)Nc2ccc(Br)cc2Cl)C1 ZINC000415428605 563775007 /nfs/dbraw/zinc/77/50/07/563775007.db2.gz CYKIXIAGGOSIOL-ZJUUUORDSA-N 1 0 388.693 2.627 20 0 GFADRO CC(=O)N[C@@H](CC(=O)N1CCC[C@@H](CC[NH3+])C1)c1ccc(Br)cc1 ZINC000442607563 563775019 /nfs/dbraw/zinc/77/50/19/563775019.db2.gz SLOQQJIAXMLAMK-YOEHRIQHSA-N 1 0 396.329 2.604 20 0 GFADRO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(-c3ccc(Cl)s3)nc2)CC[C@@H]1[NH3+] ZINC000415434169 563775703 /nfs/dbraw/zinc/77/57/03/563775703.db2.gz AWBNHKDVZXLBEU-PWSUYJOCSA-N 1 0 378.885 2.598 20 0 GFADRO CCOCCOc1ccc(Br)cc1NC(=O)N1CC[C@H](C[NH3+])C1 ZINC000415440006 563776161 /nfs/dbraw/zinc/77/61/61/563776161.db2.gz FBJBIJVGSFQSPC-GFCCVEGCSA-N 1 0 386.290 2.677 20 0 GFADRO C[N@@H+]1CC[C@]2(CCN(Cc3noc(Cc4ccc(Br)cc4)n3)C2)C1 ZINC000292164553 563776644 /nfs/dbraw/zinc/77/66/44/563776644.db2.gz OXADKFDHKIOZFH-SFHVURJKSA-N 1 0 391.313 2.951 20 0 GFADRO CC(C)(C)[C@@H](C[NH3+])NC(=O)Nc1cc(Br)cnc1-n1cccn1 ZINC000415477177 563778213 /nfs/dbraw/zinc/77/82/13/563778213.db2.gz DPZUJOBXBLLMOY-GFCCVEGCSA-N 1 0 381.278 2.525 20 0 GFADRO CC[NH2+]CC1CCN(C(=O)C(=O)Nc2ccc(Br)c(C)c2)CC1 ZINC000415475615 563778291 /nfs/dbraw/zinc/77/82/91/563778291.db2.gz IVOCMJAGJMXXGR-UHFFFAOYSA-N 1 0 382.302 2.544 20 0 GFADRO Cc1cc(Br)c(F)cc1NC(=O)C(=O)N(C)CC[C@@H]([NH3+])C(C)C ZINC000415482998 563778383 /nfs/dbraw/zinc/77/83/83/563778383.db2.gz GBDCWJWGAXXTOR-CYBMUJFWSA-N 1 0 388.281 2.667 20 0 GFADRO C[C@H]1CCN(C(=O)Nc2cc(Br)cnc2-n2cccn2)[C@H](C[NH3+])C1 ZINC000415494268 563779047 /nfs/dbraw/zinc/77/90/47/563779047.db2.gz ZBGWAOICHSFYBF-AAEUAGOBSA-N 1 0 393.289 2.621 20 0 GFADRO Cc1ccccc1C[N@H+]1CCCN(C(=O)c2cc(Br)nn2C)CC1 ZINC000365266817 563779422 /nfs/dbraw/zinc/77/94/22/563779422.db2.gz ODJLQURWEIXJGS-UHFFFAOYSA-N 1 0 391.313 2.839 20 0 GFADRO CN(CCS(=O)(=O)c1cc(Cl)ccc1Cl)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442785452 563779447 /nfs/dbraw/zinc/77/94/47/563779447.db2.gz XQCDLKBFVXPXDE-PBWFPOADSA-N 1 0 377.337 2.982 20 0 GFADRO O=C(Nc1cc(Cl)cc(C(F)(F)F)c1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000415506831 563780235 /nfs/dbraw/zinc/78/02/35/563780235.db2.gz MBIHYVAOAKIFTO-AWEZNQCLSA-N 1 0 376.810 2.870 20 0 GFADRO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)Nc1cc(Cl)cc(Br)c1 ZINC000415504082 563780325 /nfs/dbraw/zinc/78/03/25/563780325.db2.gz OURWSMWDHAAOPB-CYBMUJFWSA-N 1 0 390.709 2.873 20 0 GFADRO Cc1ccc(I)cc1NC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000415504701 563780383 /nfs/dbraw/zinc/78/03/83/563780383.db2.gz HEJCFSQSRCAZQJ-BETUJISGSA-N 1 0 385.249 2.958 20 0 GFADRO [NH3+]CC[C@H](NC(=O)Nc1nnc(-c2c(F)cccc2Cl)s1)C(F)F ZINC000415511349 563780861 /nfs/dbraw/zinc/78/08/61/563780861.db2.gz OJJMXVJDSNIRCA-QMMMGPOBSA-N 1 0 379.795 3.102 20 0 GFADRO Cc1cc(Br)cc(Cl)c1NC(=O)C(=O)N1C[C@H](C[NH3+])C[C@H]1C ZINC000415514120 563780981 /nfs/dbraw/zinc/78/09/81/563780981.db2.gz BLKAUJTZSRKTFL-ZJUUUORDSA-N 1 0 388.693 2.545 20 0 GFADRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)Nc1ccnn1Cc1cccc(Br)c1 ZINC000415526669 563782622 /nfs/dbraw/zinc/78/26/22/563782622.db2.gz JFBVQFOVMTZPHV-TZMCWYRMSA-N 1 0 392.301 2.895 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)Nc2ccnn2Cc2cccc(Br)c2)C1 ZINC000415526723 563782698 /nfs/dbraw/zinc/78/26/98/563782698.db2.gz KGXCCWBPDFZMOD-TZMCWYRMSA-N 1 0 392.301 2.895 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000415531995 563783198 /nfs/dbraw/zinc/78/31/98/563783198.db2.gz ZBLLEVRVRZEGJB-INIZCTEOSA-N 1 0 394.313 2.687 20 0 GFADRO [NH3+]C[C@H]1CCN(C(=O)Nc2ccnn2Cc2ccc(Br)cc2)C1 ZINC000415530448 563783358 /nfs/dbraw/zinc/78/33/58/563783358.db2.gz OKQGKGDLVHVAPV-CYBMUJFWSA-N 1 0 378.274 2.506 20 0 GFADRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)Nc1cccnc1-c1ccc(Cl)s1 ZINC000415542111 563784024 /nfs/dbraw/zinc/78/40/24/563784024.db2.gz PKOAOGJGZVEMLF-QWRGUYRKSA-N 1 0 378.885 2.598 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000415548676 563784051 /nfs/dbraw/zinc/78/40/51/563784051.db2.gz FOWPTZCPECRKJR-UHFFFAOYSA-N 1 0 394.313 2.607 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)Nc2ccc(-c3ccc(Cl)s3)nc2)C1 ZINC000415560443 563784453 /nfs/dbraw/zinc/78/44/53/563784453.db2.gz FRXOEABPBJUTHA-QWRGUYRKSA-N 1 0 378.885 2.598 20 0 GFADRO C[N@@H+]1CC[C@@]2(CCN(C(=O)c3ccc(F)c(I)c3)C2)C1 ZINC000292395749 563784780 /nfs/dbraw/zinc/78/47/80/563784780.db2.gz YKCWHQGRIMUNLK-OAHLLOKOSA-N 1 0 388.224 2.598 20 0 GFADRO COc1c(Cl)cc(NC(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc1Cl ZINC000415577523 563785011 /nfs/dbraw/zinc/78/50/11/563785011.db2.gz HHHDVBOJRNXLLF-PXWWUCIGSA-N 1 0 386.279 2.526 20 0 GFADRO C[C@@]1(CNC(=O)C(=O)Nc2cc(Cl)ccc2C(F)(F)F)CCC[NH2+]C1 ZINC000415577841 563785124 /nfs/dbraw/zinc/78/51/24/563785124.db2.gz YRFFMUYPPVLRFK-OAHLLOKOSA-N 1 0 377.794 2.803 20 0 GFADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1cc(Cl)cc(Br)c1F ZINC000365523355 563786163 /nfs/dbraw/zinc/78/61/63/563786163.db2.gz QYYQFFHYZSDVHR-MNOVXSKESA-N 1 0 391.668 2.835 20 0 GFADRO COc1ccc(NC(=O)N[C@H]2CC[NH2+]C2(C)C)c(I)c1 ZINC000415600805 563786868 /nfs/dbraw/zinc/78/68/68/563786868.db2.gz UBMHDENTNCUXTR-LBPRGKRZSA-N 1 0 389.237 2.562 20 0 GFADRO O=C(CCNc1ncc(C(F)(F)F)cc1Cl)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000292454497 563786932 /nfs/dbraw/zinc/78/69/32/563786932.db2.gz LDFHNWVTWRGRNL-GWCFXTLKSA-N 1 0 376.810 2.766 20 0 GFADRO COC(=O)c1c(C)c(NC(=O)N[C@@](C)(C[NH3+])C2CC2)ccc1Br ZINC000415600349 563786941 /nfs/dbraw/zinc/78/69/41/563786941.db2.gz NVLGDHWQAXQQRQ-INIZCTEOSA-N 1 0 384.274 2.793 20 0 GFADRO COc1ccc(NC(=O)N[C@@H](C[NH3+])CC(C)C)c(I)c1 ZINC000415600122 563787084 /nfs/dbraw/zinc/78/70/84/563787084.db2.gz SGSVXMKEDALGOG-SNVBAGLBSA-N 1 0 391.253 2.795 20 0 GFADRO COC(=O)c1cccc(NC(=O)N2CC[C@H](C)[C@H](C[NH3+])C2)c1Br ZINC000415617774 563788343 /nfs/dbraw/zinc/78/83/43/563788343.db2.gz VYGAHFQHFUKKFQ-WDEREUQCSA-N 1 0 384.274 2.684 20 0 GFADRO COC(=O)c1cc(F)c(Br)cc1NC(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000415630315 563788625 /nfs/dbraw/zinc/78/86/25/563788625.db2.gz FHHUGMIWYHSHRP-IUCAKERBSA-N 1 0 388.237 2.624 20 0 GFADRO COC(=O)c1cc(F)c(Br)cc1NC(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000415631637 563788760 /nfs/dbraw/zinc/78/87/60/563788760.db2.gz MNXDVOWCFMRNCE-RKDXNWHRSA-N 1 0 388.237 2.637 20 0 GFADRO CCCC[C@@H](C[NH3+])NC(=O)Nc1ccnn1-c1ccc(Br)cn1 ZINC000415630089 563788783 /nfs/dbraw/zinc/78/87/83/563788783.db2.gz CBLXNQHMURBNIO-LBPRGKRZSA-N 1 0 381.278 2.669 20 0 GFADRO CSC[C@@H]1CCC[N@H+](CC(=O)N(C)CC(=O)Nc2ccccc2Cl)C1 ZINC000292543551 563789613 /nfs/dbraw/zinc/78/96/13/563789613.db2.gz YAEVQWWIKLBANV-CQSZACIVSA-N 1 0 383.945 2.812 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H](NC(=O)C(=O)Nc2cc(F)ccc2SCC(F)F)C1 ZINC000415646731 563790074 /nfs/dbraw/zinc/79/00/74/563790074.db2.gz NCTKDHMEGWBAPN-GHMZBOCLSA-N 1 0 375.416 2.508 20 0 GFADRO COC(=O)c1cc(NC(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)c(C)cc1Br ZINC000415707089 563792057 /nfs/dbraw/zinc/79/20/57/563792057.db2.gz LWOIBMKBZDNOCR-BXUZGUMPSA-N 1 0 396.285 2.760 20 0 GFADRO Cc1cc(I)cc(NC(=O)N(C2CC2)[C@H]2CC[NH2+]C2)c1 ZINC000415717195 563793333 /nfs/dbraw/zinc/79/33/33/563793333.db2.gz XUJLIZXNFLRMIN-AWEZNQCLSA-N 1 0 385.249 2.958 20 0 GFADRO CCOc1cc(Br)c(F)cc1NC(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000415749211 563793993 /nfs/dbraw/zinc/79/39/93/563793993.db2.gz QRSDEQIBXWEHKY-JTQLQIEISA-N 1 0 390.253 2.568 20 0 GFADRO C[C@]1(CNC(=O)Nc2ccn(-c3ccc(Br)cc3)n2)CCC[NH2+]C1 ZINC000415752018 563794259 /nfs/dbraw/zinc/79/42/59/563794259.db2.gz COAHEQFGVMEXSL-KRWDZBQOSA-N 1 0 392.301 3.146 20 0 GFADRO C[C@H]1CCN(C(=O)Nc2ccn(-c3ccc(Br)cc3)n2)[C@@H](C[NH3+])C1 ZINC000415753444 563794316 /nfs/dbraw/zinc/79/43/16/563794316.db2.gz GQXPEFIDCWTJCT-SWLSCSKDSA-N 1 0 392.301 3.226 20 0 GFADRO CN(Cc1ccccc1S(N)(=O)=O)C[C@H](O)c1ccc(Cl)cc1Cl ZINC000292737297 563794637 /nfs/dbraw/zinc/79/46/37/563794637.db2.gz NABLTDZZYKHSIM-HNNXBMFYSA-N 1 0 389.304 2.806 20 0 GFADRO CC(C)(CCC[NH3+])NC(=O)C(=O)Nc1cc(F)ccc1SCC(F)F ZINC000415753557 563794759 /nfs/dbraw/zinc/79/47/59/563794759.db2.gz CWYRVIHARLBHCO-UHFFFAOYSA-N 1 0 377.432 2.755 20 0 GFADRO O=C(Cc1cscc1Br)N1CC[NH+](CC2CCOCC2)CC1 ZINC000292773849 563795317 /nfs/dbraw/zinc/79/53/17/563795317.db2.gz QFFSYPDEMUVEMR-UHFFFAOYSA-N 1 0 387.343 2.624 20 0 GFADRO O=C(Nc1ccc(C(F)(F)F)cc1Cl)C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000415774484 563796141 /nfs/dbraw/zinc/79/61/41/563796141.db2.gz YLFNTDXGYVEWMV-JOYOIKCWSA-N 1 0 375.778 2.508 20 0 GFADRO COc1cc(I)ccc1NC(=O)N[C@@H](C)CCCC[NH3+] ZINC000415776577 563796261 /nfs/dbraw/zinc/79/62/61/563796261.db2.gz XGJCXTKDULPPOC-JTQLQIEISA-N 1 0 391.253 2.939 20 0 GFADRO CC[C@H]([NH3+])CNC(=O)C(=O)Nc1ccc(Sc2nc(C)cs2)cc1C ZINC000415780127 563796370 /nfs/dbraw/zinc/79/63/70/563796370.db2.gz CCGOUEXGNZCKMU-LBPRGKRZSA-N 1 0 378.523 2.703 20 0 GFADRO [NH3+][C@H]1CCC[C@H](CNC(=O)C(=O)Nc2ccc(Br)c(Cl)c2)C1 ZINC000415798042 563797005 /nfs/dbraw/zinc/79/70/05/563797005.db2.gz AXVIYEUHCOUGCV-UWVGGRQHSA-N 1 0 388.693 2.675 20 0 GFADRO Cc1nc(NC(=O)N(CC[NH3+])CCO)sc1Cc1ccc(Cl)cc1F ZINC000415798933 563797024 /nfs/dbraw/zinc/79/70/24/563797024.db2.gz BVCUXOZBZJPNNG-UHFFFAOYSA-N 1 0 386.880 2.620 20 0 GFADRO Cc1nc(NC(=O)N(C)C[C@H](O)C[NH3+])sc1Cc1ccc(Cl)cc1F ZINC000415801852 563797069 /nfs/dbraw/zinc/79/70/69/563797069.db2.gz FWHMEWXYEXEGDQ-GFCCVEGCSA-N 1 0 386.880 2.618 20 0 GFADRO CNC(=O)[C@@H]1CCC[N@H+](C[C@](C)(O)c2ccc(Br)cc2Cl)C1 ZINC000292964609 563797604 /nfs/dbraw/zinc/79/76/04/563797604.db2.gz CZXSOGOCEKTJER-BZNIZROVSA-N 1 0 389.721 2.768 20 0 GFADRO Cc1ccc(NC(=O)C(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1Br ZINC000415825123 563798122 /nfs/dbraw/zinc/79/81/22/563798122.db2.gz XREPDLRKAKVXBS-UONOGXRCSA-N 1 0 394.313 2.544 20 0 GFADRO O=C(Nc1cc(Cl)c(F)c(Cl)c1)C(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000415815257 563798439 /nfs/dbraw/zinc/79/84/39/563798439.db2.gz FSOLUUWMATVFEQ-WDEREUQCSA-N 1 0 388.270 2.919 20 0 GFADRO Cc1ccc(NC(=O)C(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c(Br)c1 ZINC000415816432 563798450 /nfs/dbraw/zinc/79/84/50/563798450.db2.gz HAAYIJYMSBFZJZ-KGLIPLIRSA-N 1 0 394.313 2.544 20 0 GFADRO O[C@H](COc1cc(Cl)ccc1Cl)CN1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000366092354 563798792 /nfs/dbraw/zinc/79/87/92/563798792.db2.gz DRPSKPYNJBWFDO-CABCVRRESA-N 1 0 391.364 2.856 20 0 GFADRO C[C@@H](C[NH2+][C@@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)c(Cl)c1)CS(C)(=O)=O ZINC000366122537 563799891 /nfs/dbraw/zinc/79/98/91/563799891.db2.gz IONJXUMACTZHIC-JJMVLAAESA-N 1 0 393.336 2.536 20 0 GFADRO O=C(NCCC1=CC[NH2+]CC1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000415877019 563800224 /nfs/dbraw/zinc/80/02/24/563800224.db2.gz JMQFKJUVUDUKEF-UHFFFAOYSA-N 1 0 375.778 2.723 20 0 GFADRO O=C(NCCCCn1cc(Br)cn1)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000415892710 563800290 /nfs/dbraw/zinc/80/02/90/563800290.db2.gz JCJXFZPJRRHKMS-UHFFFAOYSA-N 1 0 392.301 2.893 20 0 GFADRO [NH3+]Cc1ccc(NC(=O)N(CCO)Cc2cc(Br)cs2)cc1 ZINC000415945278 563801290 /nfs/dbraw/zinc/80/12/90/563801290.db2.gz CMQNLDQWFFJDRT-UHFFFAOYSA-N 1 0 384.299 2.996 20 0 GFADRO [NH3+]CC[C@@H](NC(=O)N1CCN(c2ccc(F)cc2Cl)CC1)C(F)(F)F ZINC000415992141 563801660 /nfs/dbraw/zinc/80/16/60/563801660.db2.gz ATBOIFNDHDXIHV-CYBMUJFWSA-N 1 0 382.789 2.590 20 0 GFADRO C[C@@](CO)(NC(=O)N[C@H](CC[NH3+])C(F)(F)F)c1cc(Cl)cc(Cl)c1 ZINC000415990607 563801931 /nfs/dbraw/zinc/80/19/31/563801931.db2.gz DCGFBUMCDFPTMG-YPMHNXCESA-N 1 0 388.217 2.780 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(Br)cc2)C[C@@H]1C ZINC000443377940 563803025 /nfs/dbraw/zinc/80/30/25/563803025.db2.gz ZXOOZOCTOPDZSP-SWLSCSKDSA-N 1 0 382.302 2.719 20 0 GFADRO [NH3+]CC[C@@H](NC(=O)N[C@@H]1C[C@H]1c1ccc(Br)s1)C(F)(F)F ZINC000416051515 563804697 /nfs/dbraw/zinc/80/46/97/563804697.db2.gz SZBWFXBETOGXBE-ZXFLCMHBSA-N 1 0 386.237 2.945 20 0 GFADRO C[N@@H+](Cc1ccc(OCC(F)(F)F)cc1)C[C@H](O)COCC(F)(F)F ZINC000293283164 563806554 /nfs/dbraw/zinc/80/65/54/563806554.db2.gz JUNOMYDSRVZGCU-LBPRGKRZSA-N 1 0 375.309 2.999 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)[C@H]2CCCN(c3ccc(Br)cn3)C2)C1 ZINC000366413916 563807756 /nfs/dbraw/zinc/80/77/56/563807756.db2.gz KXJACECFPCFHJW-KKUMJFAQSA-N 1 0 395.345 2.646 20 0 GFADRO O=C(c1cc(-c2ccc(Br)cc2)n[nH]1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000293392647 563810951 /nfs/dbraw/zinc/81/09/51/563810951.db2.gz MANMDXSFXDZUHJ-GXTWGEPZSA-N 1 0 375.270 2.663 20 0 GFADRO O=C(Cc1ccc(Br)c(F)c1)N1CC[C@@H](OCC[NH+]2CCCC2)C1 ZINC000443807702 563812428 /nfs/dbraw/zinc/81/24/28/563812428.db2.gz PWHBDGVSIJSOTH-OAHLLOKOSA-N 1 0 399.304 2.844 20 0 GFADRO O=C(N[C@H]1CC12CC[NH2+]CC2)c1[nH]nc(-c2ccccc2)c1Br ZINC000366566274 563814319 /nfs/dbraw/zinc/81/43/19/563814319.db2.gz KWLJJUXMVBEVQM-LBPRGKRZSA-N 1 0 375.270 2.711 20 0 GFADRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1nc(C2CC2)ncc1Br ZINC000366572459 563814369 /nfs/dbraw/zinc/81/43/69/563814369.db2.gz SCTTVRIVHDSADZ-AAEUAGOBSA-N 1 0 379.302 2.815 20 0 GFADRO COC1CC[NH+](C2(CNS(=O)(=O)CCc3cccs3)CCCC2)CC1 ZINC000443903856 563814823 /nfs/dbraw/zinc/81/48/23/563814823.db2.gz FKWAMNQTORCDPX-UHFFFAOYSA-N 1 0 386.583 2.634 20 0 GFADRO C[C@@H](CO)[N@@H+]1CCCN(C(=O)Nc2cc(F)cc(Br)c2F)CC1 ZINC000366746888 563818729 /nfs/dbraw/zinc/81/87/29/563818729.db2.gz SEKWWAHTXLQADO-JTQLQIEISA-N 1 0 392.244 2.648 20 0 GFADRO COC(=O)c1c(Cl)cccc1S(=O)(=O)NC[C@@H](C)[NH+]1CCC(C)CC1 ZINC000416386224 563821274 /nfs/dbraw/zinc/82/12/74/563821274.db2.gz IMAZAQQSZAKDQA-CYBMUJFWSA-N 1 0 388.917 2.525 20 0 GFADRO C[C@H](NC(=O)N1CCO[C@H](C[NH+](C)C)C1)c1ccc(Br)s1 ZINC000444115792 563822166 /nfs/dbraw/zinc/82/21/66/563822166.db2.gz UNPWNWOQDNVWNK-WDEREUQCSA-N 1 0 376.320 2.544 20 0 GFADRO CCOC(=O)C[C@H](NC(=O)c1coc(C[NH3+])c1)c1ccc(Br)cc1 ZINC000444130261 563822461 /nfs/dbraw/zinc/82/24/61/563822461.db2.gz PZMCVFVXLCJWMY-HNNXBMFYSA-N 1 0 395.253 2.925 20 0 GFADRO O=C(c1csc(I)c1)N1CCC[C@@H]2C[NH2+]CCC[C@@H]21 ZINC000366877805 563822902 /nfs/dbraw/zinc/82/29/02/563822902.db2.gz ZZGCLQJVNOJTFG-PWSUYJOCSA-N 1 0 390.290 2.957 20 0 GFADRO C[C@]12CCN(C(=O)NC3CC[NH+](C[C@@H]4CCOC4)CC3)C[C@H]1C2(Cl)Cl ZINC000367081262 563830362 /nfs/dbraw/zinc/83/03/62/563830362.db2.gz RGGCBBMJSCOECM-LXZKKBNFSA-N 1 0 390.355 2.713 20 0 GFADRO COC(=O)c1c(Cl)cccc1S(=O)(=O)N[C@@H](C)C[NH+]1CCCCCC1 ZINC000416463609 563832316 /nfs/dbraw/zinc/83/23/16/563832316.db2.gz DDPWCPYWPNDWPZ-ZDUSSCGKSA-N 1 0 388.917 2.669 20 0 GFADRO CCOC1CC(C[NH+]2CCC(NS(=O)(=O)c3ccc(Cl)cc3)CC2)C1 ZINC000367138994 563832479 /nfs/dbraw/zinc/83/24/79/563832479.db2.gz UPSNFPPQFNULJK-UHFFFAOYSA-N 1 0 386.945 2.898 20 0 GFADRO COC(=O)c1c(Cl)cccc1S(=O)(=O)N[C@@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000416469286 563833553 /nfs/dbraw/zinc/83/35/53/563833553.db2.gz DCELDPVZDFPVQY-STQMWFEESA-N 1 0 388.917 2.525 20 0 GFADRO Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)N1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000294221103 563834635 /nfs/dbraw/zinc/83/46/35/563834635.db2.gz RCFNGRLTPYXXIU-HNNXBMFYSA-N 1 0 378.826 2.808 20 0 GFADRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1Cc1ccc(I)cc1 ZINC000444674284 563834805 /nfs/dbraw/zinc/83/48/05/563834805.db2.gz OSPRKIKRTCPMTF-CYBMUJFWSA-N 1 0 388.293 2.568 20 0 GFADRO Cc1cc(Br)ccc1C[N@@H+](C)C[C@@H](O)CN1C[C@@H](C)O[C@@H](C)C1 ZINC000444691674 563834886 /nfs/dbraw/zinc/83/48/86/563834886.db2.gz AIVJDISSOMXXES-RVKKMQEKSA-N 1 0 385.346 2.659 20 0 GFADRO CNC(=O)[C@]1(C)CC[N@H+](C[C@@](C)(O)c2ccc(Br)cc2Cl)C1 ZINC000294239495 563835411 /nfs/dbraw/zinc/83/54/11/563835411.db2.gz TZAYTLXURMTMOF-HZPDHXFCSA-N 1 0 389.721 2.768 20 0 GFADRO C[N@@H+]1CCC[C@]2(CCN(C(=O)c3cccc(I)c3)C2)C1 ZINC000294262842 563836219 /nfs/dbraw/zinc/83/62/19/563836219.db2.gz TVEJUXSIZPGSRL-INIZCTEOSA-N 1 0 384.261 2.849 20 0 GFADRO C[C@H](NC(=O)C[N@H+](CCO)C1CCOCC1)c1ccc(Cl)cc1Cl ZINC000444772418 563836423 /nfs/dbraw/zinc/83/64/23/563836423.db2.gz AEKDOMCYPAQONN-LBPRGKRZSA-N 1 0 375.296 2.644 20 0 GFADRO COc1cc(Br)c(C(=O)NCC[NH+]2CCC(C)CC2)cc1OC ZINC000294273083 563836809 /nfs/dbraw/zinc/83/68/09/563836809.db2.gz AOUOLKHCOMBXCJ-UHFFFAOYSA-N 1 0 385.302 2.928 20 0 GFADRO C[N@@H+]1CC[C@@H](CNS(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 ZINC000416492849 563838708 /nfs/dbraw/zinc/83/87/08/563838708.db2.gz BLPLICPHXKVTQH-VIFPVBQESA-N 1 0 390.349 2.954 20 0 GFADRO Cc1cc(Br)cc(S(=O)(=O)NCCCC[N@@H+](C)C2CC2)c1 ZINC000416508411 563840965 /nfs/dbraw/zinc/84/09/65/563840965.db2.gz RNEVBUJOWHYOIK-UHFFFAOYSA-N 1 0 375.332 2.910 20 0 GFADRO Cn1cc(Br)c(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)n1 ZINC000294412854 563841714 /nfs/dbraw/zinc/84/17/14/563841714.db2.gz TVOVYCUSCFVMAO-AWEZNQCLSA-N 1 0 377.286 2.577 20 0 GFADRO O=C(Nc1cnc2c(c1)C[NH2+]CC2)c1cnn(-c2cccc(Br)c2)c1 ZINC000367376063 563842177 /nfs/dbraw/zinc/84/21/77/563842177.db2.gz APVVVDNHIXMQJH-UHFFFAOYSA-N 1 0 398.264 2.928 20 0 GFADRO Cc1ccc(Br)c(S(=O)(=O)NCC2CC[NH+](C3CC3)CC2)c1 ZINC000445067583 563842341 /nfs/dbraw/zinc/84/23/41/563842341.db2.gz QDYZSXUMXWIABJ-UHFFFAOYSA-N 1 0 387.343 2.910 20 0 GFADRO O=C1CC[C@@H]([NH2+]Cc2nc(-c3ccc(Br)cc3)c[nH]2)[C@@H](C2CC2)N1 ZINC000367423778 563844400 /nfs/dbraw/zinc/84/44/00/563844400.db2.gz NFPUYPIYYFNYJY-RDTXWAMCSA-N 1 0 389.297 2.986 20 0 GFADRO O=C(C[NH2+][C@H](c1cncc(Br)c1)C1CC1)N1CCOC[C@H]1C1CC1 ZINC000367452881 563845051 /nfs/dbraw/zinc/84/50/51/563845051.db2.gz WVFYLQQBZZUNNR-WMZOPIPTSA-N 1 0 394.313 2.522 20 0 GFADRO O=C1C[C@@H]([C@H]2CCCC[N@H+]2Cc2cc(Br)c3c(c2)OCCO3)CN1 ZINC000367543157 563847668 /nfs/dbraw/zinc/84/76/68/563847668.db2.gz YHPUTXIJQXATKN-UKRRQHHQSA-N 1 0 395.297 2.711 20 0 GFADRO CSCC[C@@H](O)C(=O)N(CC[NH+](C)C)Cc1ccc(C(F)(F)F)cc1 ZINC000294593105 563847727 /nfs/dbraw/zinc/84/77/27/563847727.db2.gz CGYFUTYZAOHHAB-OAHLLOKOSA-N 1 0 378.460 2.710 20 0 GFADRO O=C(c1cn2ccc(Br)cc2n1)N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000367613399 563850118 /nfs/dbraw/zinc/85/01/18/563850118.db2.gz CKWBCQWALMVOLY-JGGQBBKZSA-N 1 0 389.297 2.653 20 0 GFADRO CC(=O)N1CC[C@H]([NH2+]CCn2cc(Br)cn2)c2ccccc2C1 ZINC000367704746 563852814 /nfs/dbraw/zinc/85/28/14/563852814.db2.gz GARCGJUCWIFFRN-KRWDZBQOSA-N 1 0 377.286 2.729 20 0 GFADRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2Cc2ncc(I)s2)C1 ZINC000367710153 563852995 /nfs/dbraw/zinc/85/29/95/563852995.db2.gz YORNUUOUTDTHJN-WDEREUQCSA-N 1 0 377.295 2.664 20 0 GFADRO COc1ccc(CN2C[C@@H]3CCS(=O)(=O)[C@@H]3C2)cc1SC(F)(F)F ZINC000367736369 563853441 /nfs/dbraw/zinc/85/34/41/563853441.db2.gz FSNOIOPNIUYXBB-SMDDNHRTSA-N 1 0 381.441 2.926 20 0 GFADRO O=C(NC1CC1)N[C@@H]1CC[N@@H+](CCOc2cc(F)cc(Br)c2)C1 ZINC000445794098 563854230 /nfs/dbraw/zinc/85/42/30/563854230.db2.gz MWGYSSAGIVZUAZ-CQSZACIVSA-N 1 0 386.265 2.503 20 0 GFADRO COC[C@@](C)(CC(=O)OC)[NH2+]CCOc1cc(F)cc(Br)c1 ZINC000445819168 563854347 /nfs/dbraw/zinc/85/43/47/563854347.db2.gz ODYGJZLCKGOHHY-OAHLLOKOSA-N 1 0 378.238 2.525 20 0 GFADRO Cc1nc(Cl)ccc1S(=O)(=O)N1C[C@H](C[NH+](C)C)Oc2ccccc21 ZINC000367778389 563855611 /nfs/dbraw/zinc/85/56/11/563855611.db2.gz VBAHABHSBBFSQB-ZDUSSCGKSA-N 1 0 381.885 2.561 20 0 GFADRO C[C@@H](CNC(=O)[C@@H]1CC(=O)Nc2ccc(Br)cc21)C[NH+]1CCCC1 ZINC000446102394 563858740 /nfs/dbraw/zinc/85/87/40/563858740.db2.gz FQUAJKZDMYKQRO-SWLSCSKDSA-N 1 0 394.313 2.723 20 0 GFADRO CNS(=O)(=O)C1CC[NH+](CCSc2ccnc3cc(Cl)ccc32)CC1 ZINC000367928986 563859545 /nfs/dbraw/zinc/85/95/45/563859545.db2.gz LABMGKOTYLJIFE-UHFFFAOYSA-N 1 0 399.969 2.994 20 0 GFADRO C[C@H](Cc1ccc(F)cc1Br)[NH2+][C@H]1CCN(C2CCOCC2)C1=O ZINC000367962200 563861010 /nfs/dbraw/zinc/86/10/10/563861010.db2.gz LBEWDJGUZLANRF-PXAZEXFGSA-N 1 0 399.304 2.889 20 0 GFADRO CCN1CCc2nc([N-]S(=O)(=O)c3cccnc3C(F)(F)F)sc2C1 ZINC000367992561 563861491 /nfs/dbraw/zinc/86/14/91/563861491.db2.gz DDVYMISMVNLLJY-UHFFFAOYSA-N 1 0 392.428 2.736 20 0 GFADRO Brc1c(CNC[C@@H]2CCC[C@@H]2[NH+]2CCOCC2)nc2ccccn21 ZINC000368025592 563861989 /nfs/dbraw/zinc/86/19/89/563861989.db2.gz XJBLUGMMMBBQNP-HOCLYGCPSA-N 1 0 393.329 2.687 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)NCCc2ccc(Cl)cc2Cl)CC12CCOCC2 ZINC000416807236 563862018 /nfs/dbraw/zinc/86/20/18/563862018.db2.gz FIOSPKDVHWCXRX-AWEZNQCLSA-N 1 0 386.323 2.933 20 0 GFADRO Cc1cccc(S(=O)(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)c1Br ZINC000368109708 563863887 /nfs/dbraw/zinc/86/38/87/563863887.db2.gz PFNNEIHAGXCHGW-CQSZACIVSA-N 1 0 387.343 2.768 20 0 GFADRO O=C(c1nn(-c2ccc(F)cc2)cc1Br)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000368169691 563865611 /nfs/dbraw/zinc/86/56/11/563865611.db2.gz ZCWDQTQCQPEMAE-IAQYHMDHSA-N 1 0 393.260 2.598 20 0 GFADRO CN(C)S(=O)(=O)n1ccnc1C[NH2+][C@@H]1CCC[C@H]1c1ccc(Cl)cc1 ZINC000368226054 563866560 /nfs/dbraw/zinc/86/65/60/563866560.db2.gz JRXWIOXKRSXHKR-JKSUJKDBSA-N 1 0 382.917 2.617 20 0 GFADRO Cc1cc(NC(=O)C(=O)N(C)CC[NH+](C(C)C)C(C)C)ncc1Br ZINC000446698692 563867533 /nfs/dbraw/zinc/86/75/33/563867533.db2.gz YMXQGCYJPPEMAY-UHFFFAOYSA-N 1 0 399.333 2.668 20 0 GFADRO O=S(=O)(c1cc(Br)cc2c1OCC2)N1CCC[C@@H]1c1ncc[nH]1 ZINC000368285881 563867931 /nfs/dbraw/zinc/86/79/31/563867931.db2.gz RDNYOGAWWXYERM-GFCCVEGCSA-N 1 0 398.282 2.633 20 0 GFADRO C[C@@H](NC(=O)N1C[C@@H](C)[NH2+]C[C@H]1C)c1cc2c(cc1Br)OCCO2 ZINC000417174676 563870626 /nfs/dbraw/zinc/87/06/26/563870626.db2.gz ITRMUUMJNPWUKN-IJLUTSLNSA-N 1 0 398.301 2.673 20 0 GFADRO CC(C)[C@](C)(C[NH3+])NC(=O)[C@@H]1CCCN(c2ccc(Br)cn2)C1 ZINC000368561380 563873876 /nfs/dbraw/zinc/87/38/76/563873876.db2.gz JYFBMCBIBLCITR-DYVFJYSZSA-N 1 0 383.334 2.550 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)NCCC(=O)Nc2ccc(Br)cc2)C1 ZINC000417225960 563874005 /nfs/dbraw/zinc/87/40/05/563874005.db2.gz OIWLYFUDRXMCJU-QWHCGFSZSA-N 1 0 397.317 2.547 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)NCCC(=O)Nc2ccc(Br)cc2)C1 ZINC000417225953 563874332 /nfs/dbraw/zinc/87/43/32/563874332.db2.gz OIWLYFUDRXMCJU-CHWSQXEVSA-N 1 0 397.317 2.547 20 0 GFADRO [NH3+]C[C@H]1CCCC[C@H]1NC(=O)NCCC(=O)Nc1ccc(Br)cc1 ZINC000417225335 563874359 /nfs/dbraw/zinc/87/43/59/563874359.db2.gz NRDGZBIONDGCDF-IUODEOHRSA-N 1 0 397.317 2.594 20 0 GFADRO CCC([NH3+])(CC)CNC(=O)NCCC(=O)Nc1ccc(Br)cc1 ZINC000417230716 563874568 /nfs/dbraw/zinc/87/45/68/563874568.db2.gz WNVZNZWZZHDPOC-UHFFFAOYSA-N 1 0 385.306 2.594 20 0 GFADRO C[N@@H+]1CC[C@H]2CCN(C(=O)c3cc(=O)[nH]c4ccc(Br)cc43)C[C@@H]21 ZINC000368592421 563874613 /nfs/dbraw/zinc/87/46/13/563874613.db2.gz NXEWUFLRLOXTAP-ZBEGNZNMSA-N 1 0 390.281 2.869 20 0 GFADRO [NH3+]CC[C@H](NC(=O)N[C@@H]1CCOc2ccc(Br)cc21)C(F)F ZINC000417235910 563874806 /nfs/dbraw/zinc/87/48/06/563874806.db2.gz CQBWVDBOCSZCRW-MNOVXSKESA-N 1 0 378.217 2.554 20 0 GFADRO COC(=O)[C@](C)(C[NH2+][C@H](C)Cn1cc(Br)cn1)c1ccc(F)cc1 ZINC000447096634 563874783 /nfs/dbraw/zinc/87/47/83/563874783.db2.gz IUANXJQUCSTUEB-SJKOYZFVSA-N 1 0 398.276 2.894 20 0 GFADRO Cc1cccc(C(=O)N2CC[C@H]3CC[N@@H+](C)[C@H]3C2)c1I ZINC000368597395 563875302 /nfs/dbraw/zinc/87/53/02/563875302.db2.gz XHKVYSYSNLNNOX-OCCSQVGLSA-N 1 0 384.261 2.766 20 0 GFADRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)c3ccc(I)c(F)c3)C[C@H]21 ZINC000368615019 563875844 /nfs/dbraw/zinc/87/58/44/563875844.db2.gz SQUFQRQEIHRQIF-MISXGVKJSA-N 1 0 388.224 2.630 20 0 GFADRO CN(C(=O)NC[C@@H]1CCN(c2cccc(Br)c2)C1)C1CC[NH2+]CC1 ZINC000417263865 563875811 /nfs/dbraw/zinc/87/58/11/563875811.db2.gz RABJWDBJKQYKJO-AWEZNQCLSA-N 1 0 395.345 2.669 20 0 GFADRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)NC[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000417268617 563875939 /nfs/dbraw/zinc/87/59/39/563875939.db2.gz ZQMICGPGRZBHHQ-RBSFLKMASA-N 1 0 395.345 2.654 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)c3ccc(I)c(F)c3)C[C@@H]21 ZINC000368615021 563876015 /nfs/dbraw/zinc/87/60/15/563876015.db2.gz SQUFQRQEIHRQIF-UHIISALHSA-N 1 0 388.224 2.630 20 0 GFADRO COc1cc(C)c(Br)cc1S(=O)(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000447250167 563877990 /nfs/dbraw/zinc/87/79/90/563877990.db2.gz PXYSTYXJOHQDSF-ZDUSSCGKSA-N 1 0 391.331 2.562 20 0 GFADRO C[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000417422939 563880285 /nfs/dbraw/zinc/88/02/85/563880285.db2.gz LZTGGIBZKXWABS-XJKSGUPXSA-N 1 0 385.339 2.614 20 0 GFADRO C[C@@H](COCC(F)(F)F)NC(=O)NC1CC[NH+](Cc2cccs2)CC1 ZINC000368877518 563880444 /nfs/dbraw/zinc/88/04/44/563880444.db2.gz QKTOORJYHHJESH-LBPRGKRZSA-N 1 0 379.448 2.979 20 0 GFADRO O=C(N[C@@H]1CCN(c2ccc(Br)cc2)C1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000417477680 563880478 /nfs/dbraw/zinc/88/04/78/563880478.db2.gz GWJSXJDKKPIQCE-RHSMWYFYSA-N 1 0 393.329 2.564 20 0 GFADRO C[NH2+]C[C@@H]1CCCN(C(=O)N[C@H]2CCN(c3ccc(Br)cc3)C2)C1 ZINC000417475483 563880609 /nfs/dbraw/zinc/88/06/09/563880609.db2.gz BGSIAMGKBKNZFL-HOCLYGCPSA-N 1 0 395.345 2.669 20 0 GFADRO COc1cc(Br)c(C[N@@H+]2CC[C@@]3(C2)CCCN(C)C3=O)cc1O ZINC000368924964 563882078 /nfs/dbraw/zinc/88/20/78/563882078.db2.gz OYSFSBUJAIXMKM-QGZVFWFLSA-N 1 0 383.286 2.608 20 0 GFADRO CN1CC[NH+](C[C@@H]2CCCN(C(=O)c3sccc3Br)C2)CC1 ZINC000368978245 563883422 /nfs/dbraw/zinc/88/34/22/563883422.db2.gz BLONEWWIIQTZGJ-ZDUSSCGKSA-N 1 0 386.359 2.610 20 0 GFADRO Cc1ccc(Br)cc1OCC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000447796738 563886514 /nfs/dbraw/zinc/88/65/14/563886514.db2.gz YDYKJVMGBBKSTJ-INIZCTEOSA-N 1 0 399.329 2.609 20 0 GFADRO O=C(N[C@@H]1CCc2c1ccc(Cl)c2Cl)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000417709728 563887301 /nfs/dbraw/zinc/88/73/01/563887301.db2.gz UBIGNLDIFBJMQZ-MLGOLLRUSA-N 1 0 383.323 2.670 20 0 GFADRO CC[C@H](CNC(=O)NC[C@H]1C[NH2+]CCCO1)Cc1cccc(Br)c1 ZINC000417714786 563887351 /nfs/dbraw/zinc/88/73/51/563887351.db2.gz CPOQPJGWAKOBLR-WMLDXEAASA-N 1 0 398.345 2.696 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2cc(OC)c(OC)cc2Cl)C[C@@H]1C ZINC000447868268 563888825 /nfs/dbraw/zinc/88/88/25/563888825.db2.gz IUSDLFZLGXVDAQ-STQMWFEESA-N 1 0 390.933 2.851 20 0 GFADRO C[C@H](CNC(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1)Oc1ccccc1Br ZINC000417818497 563889715 /nfs/dbraw/zinc/88/97/15/563889715.db2.gz FNKKBKTZINWHHD-MGPQQGTHSA-N 1 0 384.318 2.904 20 0 GFADRO C[N@@H+]1CC[C@H]2[C@H](CCCN2S(=O)(=O)c2ccc(OC(F)F)c(F)c2)C1 ZINC000447877793 563890065 /nfs/dbraw/zinc/89/00/65/563890065.db2.gz IWPOXQCRVJECTJ-RISCZKNCSA-N 1 0 378.416 2.532 20 0 GFADRO C[C@H](CCC[NH3+])NC(=O)N[C@@H](C)c1nc(-c2ccc(Br)cc2)no1 ZINC000417878349 563890423 /nfs/dbraw/zinc/89/04/23/563890423.db2.gz AQJMUOHERTYFEG-MNOVXSKESA-N 1 0 396.289 2.987 20 0 GFADRO C[C@H](Cc1ccc(F)c(Br)c1)NC(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000417891301 563890786 /nfs/dbraw/zinc/89/07/86/563890786.db2.gz BSZQIVHHXFUZMW-KWCYVHTRSA-N 1 0 384.293 2.770 20 0 GFADRO Cn1c(Cl)cnc1CN1CCC[N@H+](C[C@H](O)c2ccc(Cl)cc2)CC1 ZINC000369281056 563890946 /nfs/dbraw/zinc/89/09/46/563890946.db2.gz AWUQHHBVCDMODZ-INIZCTEOSA-N 1 0 383.323 2.968 20 0 GFADRO C[NH2+]C[C@@H](C)CNC(=O)NC1CCN(Cc2ccc(Br)cc2)CC1 ZINC000417891382 563891014 /nfs/dbraw/zinc/89/10/14/563891014.db2.gz OZNJAGMBYJYSMJ-CQSZACIVSA-N 1 0 397.361 2.568 20 0 GFADRO COc1ccccc1[C@@H](C[NH2+]Cc1c(Br)c(C)nn1C)N(C)C ZINC000447933661 563891373 /nfs/dbraw/zinc/89/13/73/563891373.db2.gz UTAZMXARIXSOCP-CQSZACIVSA-N 1 0 381.318 2.892 20 0 GFADRO CN1CCC([N@@H+]2CC[C@@H](NC(=O)COc3ccc(Cl)c(Cl)c3)C2)CC1 ZINC000369275440 563891402 /nfs/dbraw/zinc/89/14/02/563891402.db2.gz XPKFOVBZMNIOJY-CYBMUJFWSA-N 1 0 386.323 2.657 20 0 GFADRO C[C@H](NC(=O)N(C)C1CC([NH3+])C1)c1nc(-c2ccc(Br)cc2)no1 ZINC000417903047 563891601 /nfs/dbraw/zinc/89/16/01/563891601.db2.gz YRZNEZFJIFJEGU-ALXWSUNGSA-N 1 0 394.273 2.691 20 0 GFADRO C[C@H](Cc1ccc(F)c(Br)c1)NC(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000417901348 563891615 /nfs/dbraw/zinc/89/16/15/563891615.db2.gz NKBIXNAYKFCFEW-BNOWGMLFSA-N 1 0 384.293 2.770 20 0 GFADRO COc1cc(Cl)c(S(=O)(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)cc1OC ZINC000447945313 563891815 /nfs/dbraw/zinc/89/18/15/563891815.db2.gz VZKYIQUYPVQXFI-INIZCTEOSA-N 1 0 390.933 2.756 20 0 GFADRO C[C@H](Cc1cc(Br)ccc1F)NC(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000417940031 563892131 /nfs/dbraw/zinc/89/21/31/563892131.db2.gz KWLXWHMXPJAPCH-BZPMIXESSA-N 1 0 384.293 2.770 20 0 GFADRO C[C@H](C[NH3+])CNC(=O)NCCOc1ccc(Br)cc1C(F)(F)F ZINC000417960391 563893198 /nfs/dbraw/zinc/89/31/98/563893198.db2.gz XLVCLOOWAKWBBO-SECBINFHSA-N 1 0 398.223 2.741 20 0 GFADRO CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)N1C[C@@H](C)[NH2+]C[C@H]1C ZINC000417976749 563893352 /nfs/dbraw/zinc/89/33/52/563893352.db2.gz FODHMKBYKPNVKP-FOCJUVANSA-N 1 0 384.318 2.917 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)NCc2cc(Cl)sc2Cl)CC12CCOCC2 ZINC000417975457 563893804 /nfs/dbraw/zinc/89/38/04/563893804.db2.gz XPLVCNDMGKGNJU-LLVKDONJSA-N 1 0 378.325 2.952 20 0 GFADRO CC1(NC(=O)NCCc2c[nH]c3ccc(Br)cc23)CC[NH2+]CC1 ZINC000417998277 563894136 /nfs/dbraw/zinc/89/41/36/563894136.db2.gz GXLXPZUSRYJXNN-UHFFFAOYSA-N 1 0 379.302 2.914 20 0 GFADRO O=C(NCCc1c[nH]c2ccc(Br)cc12)NCC[C@@H]1CC[NH2+]C1 ZINC000418004205 563894637 /nfs/dbraw/zinc/89/46/37/563894637.db2.gz NTSPDAVKTYBAKY-LBPRGKRZSA-N 1 0 379.302 2.772 20 0 GFADRO CO[C@@H](c1ccc(Br)cc1)[C@H](C)NC(=O)N(C)C1CC[NH2+]CC1 ZINC000418006232 563894908 /nfs/dbraw/zinc/89/49/08/563894908.db2.gz ZNQRREDDHZAMRJ-BLLLJJGKSA-N 1 0 384.318 2.919 20 0 GFADRO Cc1cc(Br)cn2cc(CNC(=O)N[C@H](C[NH3+])C3CCCC3)nc12 ZINC000418022004 563895496 /nfs/dbraw/zinc/89/54/96/563895496.db2.gz QKUMTRVTQUUDKK-OAHLLOKOSA-N 1 0 394.317 2.722 20 0 GFADRO CO[C@@H]1CCN(C(=O)NCc2cc3cc(Br)ccc3[nH]2)[C@@H](C[NH3+])C1 ZINC000418023602 563895981 /nfs/dbraw/zinc/89/59/81/563895981.db2.gz CDIKERGZTCRSFE-HUUCEWRRSA-N 1 0 395.301 2.578 20 0 GFADRO CCCOC[C@@H](Cc1cccc(Br)c1)NC(=O)NC[C@@H]([NH3+])CC ZINC000418029277 563896141 /nfs/dbraw/zinc/89/61/41/563896141.db2.gz LGSCVFVHXHUIPO-JKSUJKDBSA-N 1 0 386.334 2.823 20 0 GFADRO CCCOC[C@H](Cc1cccc(Br)c1)NC(=O)N(C)C1CC([NH3+])C1 ZINC000418034326 563896397 /nfs/dbraw/zinc/89/63/97/563896397.db2.gz SQIHWIJNHBCWEB-CGZBRXJRSA-N 1 0 398.345 2.918 20 0 GFADRO O=C1CC[C@@H]([NH2+]Cc2ccc(F)cc2I)[C@@H](C2CC2)N1 ZINC000418049477 563896852 /nfs/dbraw/zinc/89/68/52/563896852.db2.gz XTCGFPFFJWJWJO-UKRRQHHQSA-N 1 0 388.224 2.577 20 0 GFADRO OC[C@H](C[NH2+]Cc1ccc(F)cc1I)c1cccnc1 ZINC000418054794 563896956 /nfs/dbraw/zinc/89/69/56/563896956.db2.gz ARZQNKSEXRFGIA-ZDUSSCGKSA-N 1 0 386.208 2.691 20 0 GFADRO CCn1c(CNC(=O)N[C@H](C)CCC[NH3+])nc2cc(Br)ccc21 ZINC000418070060 563897327 /nfs/dbraw/zinc/89/73/27/563897327.db2.gz TWHRSNHYZWQIMY-LLVKDONJSA-N 1 0 382.306 2.745 20 0 GFADRO O=C(N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000418077771 563897742 /nfs/dbraw/zinc/89/77/42/563897742.db2.gz IOYDHRNYPINNKS-VNHYZAJKSA-N 1 0 383.323 2.823 20 0 GFADRO CC(C)C[C@H](C[NH3+])NC(=O)N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000418077758 563897791 /nfs/dbraw/zinc/89/77/91/563897791.db2.gz ILQNOQDJZQBYJD-OCCSQVGLSA-N 1 0 387.311 2.771 20 0 GFADRO O=C(NCCC[NH2+]C1CC1)N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000418083886 563898126 /nfs/dbraw/zinc/89/81/26/563898126.db2.gz UCHBHNHBKNQAGB-AWEZNQCLSA-N 1 0 385.295 2.540 20 0 GFADRO [NH3+]CC[C@H](NC(=O)N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1)C(F)F ZINC000418082621 563898150 /nfs/dbraw/zinc/89/81/50/563898150.db2.gz QSAMHUHTGCLNNH-PWSUYJOCSA-N 1 0 381.254 2.854 20 0 GFADRO C[C@@H](CCCC[NH3+])NC(=O)NCc1cnn(-c2ccc(Br)cc2)c1 ZINC000418088715 563898232 /nfs/dbraw/zinc/89/82/32/563898232.db2.gz KWYMZZRUCBOSTJ-ZDUSSCGKSA-N 1 0 394.317 2.952 20 0 GFADRO [NH3+]C[C@@H](NC(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1)C1CCCC1 ZINC000418090033 563898643 /nfs/dbraw/zinc/89/86/43/563898643.db2.gz CDRVNJDVLVPNCY-NVXWUHKLSA-N 1 0 395.345 2.845 20 0 GFADRO O=C(N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000418105445 563898956 /nfs/dbraw/zinc/89/89/56/563898956.db2.gz BAEUAZOOIGNJFP-NFFDBFGFSA-N 1 0 382.277 2.695 20 0 GFADRO CN(CC(C)(C)C[NH3+])C(=O)N[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000418097739 563899076 /nfs/dbraw/zinc/89/90/76/563899076.db2.gz LHTOQWKDABFJPD-AWEZNQCLSA-N 1 0 383.334 2.654 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)CNC(=O)Nc1cccc(Cl)c1)c1ccsc1 ZINC000448671100 563899524 /nfs/dbraw/zinc/89/95/24/563899524.db2.gz NHYFMJDHBSDDDC-HNNXBMFYSA-N 1 0 380.901 2.942 20 0 GFADRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc(I)cc1F ZINC000448707120 563900266 /nfs/dbraw/zinc/90/02/66/563900266.db2.gz CCGCWJCYUBYLFK-UONOGXRCSA-N 1 0 388.224 2.787 20 0 GFADRO CO[C@@H]1CCN(C(=O)N[C@H](C)c2ccc(Br)cc2F)[C@H](C[NH3+])C1 ZINC000418178149 563900843 /nfs/dbraw/zinc/90/08/43/563900843.db2.gz FDOCFEGVEVKXDD-KGYLQXTDSA-N 1 0 388.281 2.797 20 0 GFADRO CCS(=O)(=O)N1CCC([NH2+]Cc2cnc(-c3ccccc3F)s2)CC1 ZINC000449078897 563906416 /nfs/dbraw/zinc/90/64/16/563906416.db2.gz WPGGXCOOPUFVBJ-UHFFFAOYSA-N 1 0 383.514 2.853 20 0 GFADRO CS(=O)(=O)N1CCC([NH2+][C@H]2CCc3c2ccc(F)c3Br)CC1 ZINC000449072396 563906517 /nfs/dbraw/zinc/90/65/17/563906517.db2.gz JZLMUZWYRVEGNA-AWEZNQCLSA-N 1 0 391.306 2.589 20 0 GFADRO CC[C@@H](C[NH2+]Cc1cn(CC(=O)OC)nn1)Cc1cccc(Br)c1 ZINC000449162818 563907325 /nfs/dbraw/zinc/90/73/25/563907325.db2.gz UEIKABHSILCMLZ-CYBMUJFWSA-N 1 0 395.301 2.572 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1CN[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000449173959 563907901 /nfs/dbraw/zinc/90/79/01/563907901.db2.gz OPMOMWONBMEUFE-WWGRRREGSA-N 1 0 398.345 2.535 20 0 GFADRO O=S(=O)(C[C@@H](O)C[NH2+]C1CCC(OC2CCCC2)CC1)c1cccs1 ZINC000449195752 563907950 /nfs/dbraw/zinc/90/79/50/563907950.db2.gz VRBWRLYBGNIATR-CKDBGZEDSA-N 1 0 387.567 2.743 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]C[C@@H]1CCC[C@H]1OC ZINC000449212289 563908222 /nfs/dbraw/zinc/90/82/22/563908222.db2.gz ZQVFIIIQOQVEOS-HEHGZKQESA-N 1 0 399.329 2.867 20 0 GFADRO Cc1cc(Br)c(C[NH2+]C[C@H]2CCCN2S(C)(=O)=O)cc1Cl ZINC000449213595 563908328 /nfs/dbraw/zinc/90/83/28/563908328.db2.gz KJYSEJIETDBTKT-GFCCVEGCSA-N 1 0 395.750 2.925 20 0 GFADRO CC[C@H](CCc1ccc(Br)cc1)[NH2+]C[C@H]1CS(=O)(=O)CCO1 ZINC000537951729 564178193 /nfs/dbraw/zinc/17/81/93/564178193.db2.gz AEPSSQCMKLIDTI-CVEARBPZSA-N 1 0 390.343 2.564 20 0 GFADRO C[NH+]1CCC(n2ccc(NCc3ccc(I)cc3)n2)CC1 ZINC000449291377 564179329 /nfs/dbraw/zinc/17/93/29/564179329.db2.gz KXBMTSIECIBMML-UHFFFAOYSA-N 1 0 396.276 3.367 20 0 GFADRO O=S(=O)(C1CC1)N1CCC[C@@H]([NH2+]Cc2cccc(F)c2Br)C1 ZINC000449320238 564180557 /nfs/dbraw/zinc/18/05/57/564180557.db2.gz NAHRARGUTNJMQG-GFCCVEGCSA-N 1 0 391.306 2.634 20 0 GFADRO C[C@@H]1[C@H](C(F)(F)F)CC[N@@H+]1CCOc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000470946956 564181201 /nfs/dbraw/zinc/18/12/01/564181201.db2.gz HTKDJTDCLSDEQM-IUODEOHRSA-N 1 0 380.432 2.588 20 0 GFADRO O=C(Nc1cccc(C(=O)NCC[NH+]2CCC2)c1)c1ccc(Br)o1 ZINC000505399120 564181860 /nfs/dbraw/zinc/18/18/60/564181860.db2.gz DDHWYEMBCPVYCL-UHFFFAOYSA-N 1 0 392.253 2.730 20 0 GFADRO CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)NCC[NH+]1CCC1 ZINC000505430723 564182840 /nfs/dbraw/zinc/18/28/40/564182840.db2.gz HIEAFXTYBCDGRN-INIZCTEOSA-N 1 0 386.323 2.960 20 0 GFADRO O=c1ccc(Br)cn1CC[NH2+]Cc1ccc(Br)o1 ZINC000449381312 564183158 /nfs/dbraw/zinc/18/31/58/564183158.db2.gz YDMMPHKMDIKKTA-UHFFFAOYSA-N 1 0 376.048 2.756 20 0 GFADRO CSC[C@H]([NH2+][C@H]1CCN(S(C)(=O)=O)C1)c1ccc(C(F)(F)F)cc1 ZINC000563263030 564183373 /nfs/dbraw/zinc/18/33/73/564183373.db2.gz CQKOEOBUCCXTPJ-KBPBESRZSA-N 1 0 382.473 2.733 20 0 GFADRO COc1cccc2c1CC[C@H]([NH2+]CCn1cc(Br)ccc1=O)C2 ZINC000449376925 564183420 /nfs/dbraw/zinc/18/34/20/564183420.db2.gz NHJGSUMQWOMIPM-HNNXBMFYSA-N 1 0 377.282 2.767 20 0 GFADRO Cc1cc(S(=O)(=O)N2CCC(CC[NH3+])CC2)c(C)cc1Br ZINC000563275145 564183487 /nfs/dbraw/zinc/18/34/87/564183487.db2.gz HFPMCSDRWZNQGV-UHFFFAOYSA-N 1 0 375.332 2.815 20 0 GFADRO C[NH+]1CCC([C@@H]2CCN(C(=O)[C@@H]3Cc4cc(Br)ccc4O3)C2)CC1 ZINC000471054554 564183667 /nfs/dbraw/zinc/18/36/67/564183667.db2.gz YOMTWPUSWZACGO-KDOFPFPSSA-N 1 0 393.325 2.943 20 0 GFADRO C[C@@H](Oc1ccc(Cl)c(Cl)c1)C(=O)NCCN1CCOC(C)(C)C1 ZINC000505483557 564183979 /nfs/dbraw/zinc/18/39/79/564183979.db2.gz KBSUKHFJDKPNOS-GFCCVEGCSA-N 1 0 375.296 2.988 20 0 GFADRO CCC(CC)[C@H]([NH2+]CC(=O)N(CC)[C@@H]1CCS(=O)(=O)C1)c1cccs1 ZINC000538177500 564184438 /nfs/dbraw/zinc/18/44/38/564184438.db2.gz WYWKKLCJDBYNNJ-QAPCUYQASA-N 1 0 386.583 2.851 20 0 GFADRO OCCN1CCCC[C@@H]1C[NH2+]Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000449392329 564184997 /nfs/dbraw/zinc/18/49/97/564184997.db2.gz JTAWOGXNBHEXPE-GOSISDBHSA-N 1 0 393.329 2.571 20 0 GFADRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3Cc4cc(Br)ccc4O3)C2)C1 ZINC000505502612 564185086 /nfs/dbraw/zinc/18/50/86/564185086.db2.gz FBZIAKOGSPGUJL-SJLPKXTDSA-N 1 0 379.298 2.697 20 0 GFADRO CC(C)(O)C(C)(C)[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000505562219 564185485 /nfs/dbraw/zinc/18/54/85/564185485.db2.gz QAMMGUPMTCOXFF-LLVKDONJSA-N 1 0 380.710 2.981 20 0 GFADRO Cc1cc(Cl)ccc1C[N@@H+](C)CCN(C)c1ccc(S(N)(=O)=O)cc1 ZINC000449422772 564185850 /nfs/dbraw/zinc/18/58/50/564185850.db2.gz FIZOGEPTUVAAEG-UHFFFAOYSA-N 1 0 381.929 2.864 20 0 GFADRO Cc1c(Br)cc(C[NH2+][C@H]2CCCNC2=O)cc1Br ZINC000449435952 564186861 /nfs/dbraw/zinc/18/68/61/564186861.db2.gz GEZDSJIRMSLELK-LBPRGKRZSA-N 1 0 376.092 2.888 20 0 GFADRO Cc1cc(Br)cc(C)c1CNC(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000471177191 564187944 /nfs/dbraw/zinc/18/79/44/564187944.db2.gz MHNLNSXTZDWICP-UHFFFAOYSA-N 1 0 398.345 2.664 20 0 GFADRO COc1ccc(Br)cc1C(=O)CCC(=O)N(C)CCC[NH+](C)C ZINC000538315895 564187932 /nfs/dbraw/zinc/18/79/32/564187932.db2.gz NDYRQLVKRLLCIR-UHFFFAOYSA-N 1 0 385.302 2.831 20 0 GFADRO OC[C@H]([C@@H]([NH2+]Cc1ncc(I)s1)C1CC1)C1CC1 ZINC000449508163 564189176 /nfs/dbraw/zinc/18/91/76/564189176.db2.gz MWUXQKKJMOLSMH-GWCFXTLKSA-N 1 0 378.279 2.634 20 0 GFADRO O=C(c1cc(I)ccc1Cl)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000471278448 564191242 /nfs/dbraw/zinc/19/12/42/564191242.db2.gz SILVMXPSIJDNFN-NSHDSACASA-N 1 0 390.652 2.865 20 0 GFADRO COCCN1CC[C@H]([NH2+]Cc2cccc(Br)c2OC(F)F)C1 ZINC000538533706 564193221 /nfs/dbraw/zinc/19/32/21/564193221.db2.gz UIYZZIGWOQIUNB-LBPRGKRZSA-N 1 0 379.245 2.861 20 0 GFADRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)Cn2cc(Br)cn2)C1 ZINC000505925665 564193561 /nfs/dbraw/zinc/19/35/61/564193561.db2.gz WCOFFADBHGYRFI-GJZGRUSLSA-N 1 0 383.334 2.759 20 0 GFADRO COc1cc(NC(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)cc(OC)c1Br ZINC000563480514 564193607 /nfs/dbraw/zinc/19/36/07/564193607.db2.gz DRQQYVCYFVGBBC-MNOVXSKESA-N 1 0 384.274 2.540 20 0 GFADRO C[C@H](Cn1cc(Br)cn1)[NH2+][C@@H](C)C(=O)N1c2ccccc2C[C@@H]1C ZINC000449645284 564193602 /nfs/dbraw/zinc/19/36/02/564193602.db2.gz JEUQJLCICQQKHT-RDBSUJKOSA-N 1 0 391.313 2.990 20 0 GFADRO C[C@H](NC(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2)c1ccc(Br)cn1 ZINC000563502050 564194625 /nfs/dbraw/zinc/19/46/25/564194625.db2.gz CMHMCIQXVIBKPG-GWCFXTLKSA-N 1 0 390.285 2.938 20 0 GFADRO CN1CCC([NH2+]C[C@@H](O)COc2ccc(Cl)cc2Br)CC1 ZINC000563529288 564194996 /nfs/dbraw/zinc/19/49/96/564194996.db2.gz YHQIUSMUNNSYES-CYBMUJFWSA-N 1 0 377.710 2.526 20 0 GFADRO C[NH+](C)C1(CNC(=O)C2(c3ccc(I)cc3)CC2)CCC1 ZINC000506024780 564195241 /nfs/dbraw/zinc/19/52/41/564195241.db2.gz NTEDIBBPLDFJKL-UHFFFAOYSA-N 1 0 398.288 2.923 20 0 GFADRO COc1c(C[NH2+]C[C@H](CO)Cc2cccc(Br)c2C)c(C)nn1C ZINC000449680158 564195801 /nfs/dbraw/zinc/19/58/01/564195801.db2.gz GDVRUKPLOVKBAN-CQSZACIVSA-N 1 0 396.329 2.749 20 0 GFADRO CC(=O)N[C@H](CC(=O)N[C@@H]1CC[NH2+]CC1(C)C)c1ccc(Br)cc1 ZINC000449699948 564197163 /nfs/dbraw/zinc/19/71/63/564197163.db2.gz RUFQZXUMMDGXOA-HZPDHXFCSA-N 1 0 396.329 2.521 20 0 GFADRO CC1(C)C[NH2+]CC[C@H]1NC(=O)C1CCN(C(=O)c2ccc(Cl)s2)CC1 ZINC000449701485 564197801 /nfs/dbraw/zinc/19/78/01/564197801.db2.gz WUXIYCBQOJRBOE-CQSZACIVSA-N 1 0 383.945 2.758 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000449717150 564197806 /nfs/dbraw/zinc/19/78/06/564197806.db2.gz DKZKDHFTUTUILC-ILXRZTDVSA-N 1 0 384.567 2.595 20 0 GFADRO Cc1cc(C)n(-c2ccc(Cl)c(C(=O)N[C@H](CC[NH3+])C(F)(F)F)n2)n1 ZINC000449717902 564198744 /nfs/dbraw/zinc/19/87/44/564198744.db2.gz IYFZXFBWSZNVLL-LLVKDONJSA-N 1 0 375.782 2.547 20 0 GFADRO [NH3+]C[C@H]1CC[C@H](NC(=O)C2(c3ccc(Br)cc3)CCOCC2)C1 ZINC000449719481 564198783 /nfs/dbraw/zinc/19/87/83/564198783.db2.gz QVECJPGHSVQUBT-BBRMVZONSA-N 1 0 381.314 2.741 20 0 GFADRO CC(C)(O)C[N@H+](Cc1cnc2ccc(Br)cn12)C1CCOCC1 ZINC000538736114 564199284 /nfs/dbraw/zinc/19/92/84/564199284.db2.gz APQSJXPFKONBEU-UHFFFAOYSA-N 1 0 382.302 2.849 20 0 GFADRO CCN(CC)C(=O)CCC[NH2+]Cc1ccc(C(=O)OC)cc1Br ZINC000563640028 564200202 /nfs/dbraw/zinc/20/02/02/564200202.db2.gz CCTQGBIEMDLADO-UHFFFAOYSA-N 1 0 385.302 2.974 20 0 GFADRO C[C@@H](CC[NH+](C)C)NS(=O)(=O)c1cc(Cl)c(Br)cc1F ZINC000471615472 564200820 /nfs/dbraw/zinc/20/08/20/564200820.db2.gz UAGSJSVNIYWVGX-QMMMGPOBSA-N 1 0 387.702 2.860 20 0 GFADRO C[NH+](C)CCOCCNC(=O)N1CCC[C@@H]1c1ccc(Br)cc1 ZINC000471651729 564201163 /nfs/dbraw/zinc/20/11/63/564201163.db2.gz ACKMANJPLGNOED-MRXNPFEDSA-N 1 0 384.318 2.874 20 0 GFADRO CN1CC[C@@H](NC(=O)c2csc(CC[NH3+])n2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000563713485 564203033 /nfs/dbraw/zinc/20/30/33/564203033.db2.gz MUFDIGQOWFWQGP-CJNGLKHVSA-N 1 0 382.892 2.612 20 0 GFADRO CS[C@H](C)CNC(=O)NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000506467123 564203183 /nfs/dbraw/zinc/20/31/83/564203183.db2.gz DYFOBVOJRKEBKI-OAHLLOKOSA-N 1 0 384.977 2.903 20 0 GFADRO CC[NH+]1CCC(NS(=O)(=O)c2c(Cl)cc(Cl)cc2C(=O)OC)CC1 ZINC000506548860 564204578 /nfs/dbraw/zinc/20/45/78/564204578.db2.gz XNHQBLXBALHTCN-UHFFFAOYSA-N 1 0 395.308 2.543 20 0 GFADRO Cc1ccc(CC(=O)NC[C@H](O)C[NH+]2CCC(C)CC2)c(Br)c1 ZINC000449847515 564205701 /nfs/dbraw/zinc/20/57/01/564205701.db2.gz BASGQBATRFEGBW-INIZCTEOSA-N 1 0 383.330 2.509 20 0 GFADRO CC1CC[NH+](C[C@H](O)CNC(=O)[C@@H]2C[C@H]2c2ccc(Br)cc2)CC1 ZINC000449855159 564206003 /nfs/dbraw/zinc/20/60/03/564206003.db2.gz ZIQXGXBGQDFRRP-FGTMMUONSA-N 1 0 395.341 2.762 20 0 GFADRO COc1ccc(CC[NH2+][C@@H]2CCc3c2cccc3Cl)cc1S(N)(=O)=O ZINC000539048572 564208863 /nfs/dbraw/zinc/20/88/63/564208863.db2.gz PAFZNEJHGCPHLK-MRXNPFEDSA-N 1 0 380.897 2.816 20 0 GFADRO C[C@H]([NH2+]C[C@H]1CCN(S(C)(=O)=O)C1)c1ccc(Br)c(F)c1 ZINC000539046145 564208950 /nfs/dbraw/zinc/20/89/50/564208950.db2.gz VZLQTYQYFUKBKT-WDEREUQCSA-N 1 0 379.295 2.520 20 0 GFADRO Cc1[nH]c(=O)c(Br)cc1C(=O)N[C@H](C)C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000506775116 564212079 /nfs/dbraw/zinc/21/20/79/564212079.db2.gz VWEUQRHXWRSTBY-IJLUTSLNSA-N 1 0 384.318 2.954 20 0 GFADRO C[C@@H]1CC[N@H+](C)CCN1C(=O)c1cc(F)c(F)cc1I ZINC000472087963 564212499 /nfs/dbraw/zinc/21/24/99/564212499.db2.gz KHOLBHISSSCNPB-SECBINFHSA-N 1 0 394.203 2.736 20 0 GFADRO COC1CC[NH+](C(C)(C)CNS(=O)(=O)c2cc(C)c(F)cc2Cl)CC1 ZINC000472103358 564212918 /nfs/dbraw/zinc/21/29/18/564212918.db2.gz DGGQYAUQKKGFOJ-UHFFFAOYSA-N 1 0 392.924 2.955 20 0 GFADRO Cc1cc(C)c(Br)c(C(=O)N[C@H](C)CC[NH+]2CCN(C)CC2)c1 ZINC000472119323 564213625 /nfs/dbraw/zinc/21/36/25/564213625.db2.gz CYXVWDBCYSOBNP-OAHLLOKOSA-N 1 0 382.346 2.822 20 0 GFADRO CC[NH+](CC)[C@H]1CCN(C(=O)c2cccnc2-n2cc(Br)cn2)C1 ZINC000450041294 564214414 /nfs/dbraw/zinc/21/44/14/564214414.db2.gz RGKVGAIBJYWULV-AWEZNQCLSA-N 1 0 392.301 2.586 20 0 GFADRO CCO[C@@H](CC[NH+](C)C)CNC(=O)CCc1cccc(F)c1Br ZINC000450080531 564216191 /nfs/dbraw/zinc/21/61/91/564216191.db2.gz DOFWAZHEPIYSFE-AWEZNQCLSA-N 1 0 389.309 2.994 20 0 GFADRO CCC[C@@H]1C[NH2+]CCN1C(=O)c1cc(F)c(F)cc1I ZINC000564084864 564219320 /nfs/dbraw/zinc/21/93/20/564219320.db2.gz XSOQVTPBBWFWIW-SECBINFHSA-N 1 0 394.203 2.784 20 0 GFADRO CCC[C@H]1C[NH2+]CCN1C(=O)c1cc(F)c(F)cc1I ZINC000564084891 564219371 /nfs/dbraw/zinc/21/93/71/564219371.db2.gz XSOQVTPBBWFWIW-VIFPVBQESA-N 1 0 394.203 2.784 20 0 GFADRO O=C(NCCC[NH+]1CCCC1)[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000507158399 564219886 /nfs/dbraw/zinc/21/98/86/564219886.db2.gz DOZZQZQFQOAGMA-CQSZACIVSA-N 1 0 384.307 2.948 20 0 GFADRO CC(C)[NH+]1CCC(O)(CNC(=O)[C@H](C)c2ccc(Br)s2)CC1 ZINC000472434824 564222425 /nfs/dbraw/zinc/22/24/25/564222425.db2.gz CZVWHHSSSASTIE-GFCCVEGCSA-N 1 0 389.359 2.966 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)Nc1ccncc1Br)Cc1ccccc1 ZINC000507261095 564224189 /nfs/dbraw/zinc/22/41/89/564224189.db2.gz QVHIGVMGDQOHGU-CQSZACIVSA-N 1 0 377.286 2.560 20 0 GFADRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1cc2c(Br)cccc2cn1 ZINC000450246582 564224204 /nfs/dbraw/zinc/22/42/04/564224204.db2.gz UZBLNLBLKPBFEF-CQSZACIVSA-N 1 0 392.297 2.574 20 0 GFADRO C[NH+](C)[C@H]1CCN(c2nc(C(F)(F)F)ccc2I)C1 ZINC000450306832 564225762 /nfs/dbraw/zinc/22/57/62/564225762.db2.gz DXWSWUWQNQZEMU-QMMMGPOBSA-N 1 0 385.171 2.845 20 0 GFADRO CC[C@H]1CN(c2ncnc3cc(Br)ccc32)CC[N@@H+]1CCOC ZINC000450311021 564226514 /nfs/dbraw/zinc/22/65/14/564226514.db2.gz GIWMDASUZLGZPA-AWEZNQCLSA-N 1 0 379.302 2.939 20 0 GFADRO C[C@@H](O)C[N@H+](C)C1CCN(c2ncnc3cc(Br)ccc32)CC1 ZINC000450314389 564226741 /nfs/dbraw/zinc/22/67/41/564226741.db2.gz BZHPKRKPJWCLAA-GFCCVEGCSA-N 1 0 379.302 2.674 20 0 GFADRO Cc1ccc(NC(=O)C(=O)N[C@H](c2nccn2C)C2CC2)c(Br)c1 ZINC000507389488 564227607 /nfs/dbraw/zinc/22/76/07/564227607.db2.gz BTHAFMGCGQJYLM-AWEZNQCLSA-N 1 0 391.269 2.697 20 0 GFADRO Cc1sc(Br)c(C(=O)N2CCN(Cc3ncc[nH]3)CC2)c1C ZINC000507387772 564227921 /nfs/dbraw/zinc/22/79/21/564227921.db2.gz CHKJABKDAVYZCH-UHFFFAOYSA-N 1 0 383.315 2.809 20 0 GFADRO Cc1cc(Br)cn2cc(CN[C@@H]3CCOC[C@@H]3[C@@H]3CCC[NH2+]3)nc12 ZINC000564320771 564228478 /nfs/dbraw/zinc/22/84/78/564228478.db2.gz OSSLYSTVWYMDRY-IXDOHACOSA-N 1 0 393.329 2.652 20 0 GFADRO Cc1ccn2cc(CNC(=O)c3cn4ccc(Br)cc4n3)nc2c1 ZINC000507441838 564229227 /nfs/dbraw/zinc/22/92/27/564229227.db2.gz MWZDPLFFWVMAKX-UHFFFAOYSA-N 1 0 384.237 2.983 20 0 GFADRO Cc1nc2sccn2c(=O)c1CC[NH2+][C@H](CO)c1cccc(Cl)c1F ZINC000564354439 564229617 /nfs/dbraw/zinc/22/96/17/564229617.db2.gz KNSNFCRWHNIBJP-CQSZACIVSA-N 1 0 381.860 2.723 20 0 GFADRO CC[NH+](CC)C[C@@H]1CCN(S(=O)(=O)Cc2cccc(Br)c2)C1 ZINC000564355633 564230967 /nfs/dbraw/zinc/23/09/67/564230967.db2.gz IWDZZGSNFAISAE-HNNXBMFYSA-N 1 0 389.359 2.943 20 0 GFADRO CC(=O)N1CCN(CC[NH2+][C@@H]2CCCc3ccc(Br)cc32)CC1 ZINC000539968000 564234698 /nfs/dbraw/zinc/23/46/98/564234698.db2.gz YGCZTWOESYEELI-GOSISDBHSA-N 1 0 380.330 2.580 20 0 GFADRO Cc1cc(Br)ccc1C(=O)N1CCC([NH2+]C[C@@H](O)C(F)F)CC1 ZINC000564502338 564235507 /nfs/dbraw/zinc/23/55/07/564235507.db2.gz BNTDUAXWSNBREI-CQSZACIVSA-N 1 0 391.256 2.578 20 0 GFADRO Cc1ccc(NC(=O)C(=O)N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)cc1Br ZINC000507637181 564236353 /nfs/dbraw/zinc/23/63/53/564236353.db2.gz AZUZJWCUOZJUGC-HIFRSBDPSA-N 1 0 394.313 2.781 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)C(=O)N1C[C@H]([NH+]2CCCC2)C[C@@H]1C ZINC000507631651 564236393 /nfs/dbraw/zinc/23/63/93/564236393.db2.gz NSBIIRVACPBLIK-DZGCQCFKSA-N 1 0 394.313 2.781 20 0 GFADRO C[N@@H+]1CCO[C@@H]2CCN(c3ncc(Br)cc3C(F)(F)F)C[C@H]21 ZINC000450511762 564236611 /nfs/dbraw/zinc/23/66/11/564236611.db2.gz RGGDVTLIXIJIDY-VXGBXAGGSA-N 1 0 380.208 2.772 20 0 GFADRO C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)c1ccc(-n2cc(Br)cn2)cc1 ZINC000540017670 564237079 /nfs/dbraw/zinc/23/70/79/564237079.db2.gz BZBZXJRTOVHXJB-STQMWFEESA-N 1 0 377.286 2.799 20 0 GFADRO C[NH+](C)C1CCN(CCNC(=O)NCc2cc(Cl)sc2Cl)CC1 ZINC000540011390 564237370 /nfs/dbraw/zinc/23/73/70/564237370.db2.gz ROHIBYMUIUGHBR-UHFFFAOYSA-N 1 0 379.357 2.880 20 0 GFADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)NC(C)(C)Cc1ccc(Cl)cc1Cl ZINC000472989133 564238166 /nfs/dbraw/zinc/23/81/66/564238166.db2.gz WLNNALHMNGUPEE-OAHLLOKOSA-N 1 0 387.355 2.860 20 0 GFADRO O=C([C@@H]1C[C@]12CCc1cc(Br)ccc12)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000564568428 564239703 /nfs/dbraw/zinc/23/97/03/564239703.db2.gz RSQUAGKRNBPMHL-BDFQZXNOSA-N 1 0 375.310 2.721 20 0 GFADRO COCCC[C@H]([NH2+]C[C@@H](C)S(C)(=O)=O)c1ccc(Br)cc1 ZINC000540140946 564239897 /nfs/dbraw/zinc/23/98/97/564239897.db2.gz BLLISNWFKSKXMB-DOMZBBRYSA-N 1 0 378.332 2.940 20 0 GFADRO CCOC(=O)c1nn(C)cc1C[NH2+]C[C@H](C)Oc1cccc(Br)c1 ZINC000473123387 564239904 /nfs/dbraw/zinc/23/99/04/564239904.db2.gz YIVBIUYFEOVKCI-LBPRGKRZSA-N 1 0 396.285 2.916 20 0 GFADRO CN(CC[N@H+](C)C1CC1)C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000473111832 564240124 /nfs/dbraw/zinc/24/01/24/564240124.db2.gz KFEMHIVNHDJVNQ-CQSZACIVSA-N 1 0 391.737 2.868 20 0 GFADRO CNS(=O)(=O)c1cccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2sccc2C)c1 ZINC000540170472 564240803 /nfs/dbraw/zinc/24/08/03/564240803.db2.gz YTOKNFRSLXIRKC-QWHCGFSZSA-N 1 0 381.523 2.642 20 0 GFADRO COCCOC[C@H](O)C[NH+]1CCC(C)(c2cccc(Br)c2)CC1 ZINC000450643077 564242908 /nfs/dbraw/zinc/24/29/08/564242908.db2.gz DFIJYPKUASOBMM-QGZVFWFLSA-N 1 0 386.330 2.827 20 0 GFADRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)Nc1cc(F)c(Br)cc1C ZINC000473274046 564243814 /nfs/dbraw/zinc/24/38/14/564243814.db2.gz RWPNDRSBPZCXLQ-LLVKDONJSA-N 1 0 388.281 2.682 20 0 GFADRO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)Nc2ccccc2Br)C1 ZINC000473327752 564244657 /nfs/dbraw/zinc/24/46/57/564244657.db2.gz QNHTZBUPLFGBPK-AWEZNQCLSA-N 1 0 394.313 2.578 20 0 GFADRO CCCNC(=O)C[C@@H](C(N)=O)[N@H+](CCC)Cc1cc(Br)ccc1C ZINC000450714350 564244871 /nfs/dbraw/zinc/24/48/71/564244871.db2.gz VUXFWFDFRDUZJX-INIZCTEOSA-N 1 0 398.345 2.740 20 0 GFADRO COC(=O)CN(C)C(=O)CC[NH2+][C@H](c1ccc(Br)cc1)C1CCC1 ZINC000540378145 564247208 /nfs/dbraw/zinc/24/72/08/564247208.db2.gz DFPRVFPODNQRAE-SFHVURJKSA-N 1 0 397.313 2.901 20 0 GFADRO Cn1nc(C(F)(F)F)cc1C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000564775235 564247800 /nfs/dbraw/zinc/24/78/00/564247800.db2.gz CCPVHPRMVNRPMA-UHFFFAOYSA-N 1 0 376.448 2.530 20 0 GFADRO COC(=O)CC[N@@H+]1CCN(CCOc2c(Cl)cccc2Cl)[C@H](C)C1 ZINC000540422833 564247827 /nfs/dbraw/zinc/24/78/27/564247827.db2.gz XVQQAZORFMDUAK-CYBMUJFWSA-N 1 0 375.296 2.941 20 0 GFADRO C[C@@H]([NH2+]CCS(=O)(=O)c1ccc(Br)cc1)C1CCOCC1 ZINC000540460067 564248568 /nfs/dbraw/zinc/24/85/68/564248568.db2.gz BWZRCVYYFISKCZ-GFCCVEGCSA-N 1 0 376.316 2.628 20 0 GFADRO COC(=O)c1ccc(S(=O)(=O)NCC[N@H+](C)C2CCCCC2)c(Cl)c1 ZINC000508036861 564250934 /nfs/dbraw/zinc/25/09/34/564250934.db2.gz HTVDPDXTCFJKNO-UHFFFAOYSA-N 1 0 388.917 2.669 20 0 GFADRO COCC[N@@H+](Cc1cc(Br)cs1)C[C@H]1CCNC(=O)CC1 ZINC000450845657 564251314 /nfs/dbraw/zinc/25/13/14/564251314.db2.gz KORAFSNXYBSUMN-GFCCVEGCSA-N 1 0 375.332 2.875 20 0 GFADRO CC(C)(CO)CCC[NH2+]C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000564854648 564252292 /nfs/dbraw/zinc/25/22/92/564252292.db2.gz RGPXQJSXJKPOMJ-AWEZNQCLSA-N 1 0 378.282 2.716 20 0 GFADRO CO[C@@H](CC[NH2+]C[C@H](O)COc1cccc(Br)c1)C(F)(F)F ZINC000564862993 564253556 /nfs/dbraw/zinc/25/35/56/564253556.db2.gz DYPKPSVWMATLQU-AAEUAGOBSA-N 1 0 386.208 2.746 20 0 GFADRO CC(C)[NH+]1CCC(O)(CNS(=O)(=O)c2ccc(Cl)c(F)c2Cl)CC1 ZINC000473865081 564255519 /nfs/dbraw/zinc/25/55/19/564255519.db2.gz VOUKRSXMWJAKSC-UHFFFAOYSA-N 1 0 399.315 2.646 20 0 GFADRO CC(C)[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000564941270 564258184 /nfs/dbraw/zinc/25/81/84/564258184.db2.gz LPKYRZVDTJLBPH-XJKSGUPXSA-N 1 0 379.913 2.972 20 0 GFADRO COc1cc(C(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)cc(Br)c1OC ZINC000564933664 564258300 /nfs/dbraw/zinc/25/83/00/564258300.db2.gz MZLUJUWZZMUROO-KRWDZBQOSA-N 1 0 383.286 2.682 20 0 GFADRO Cc1cc(C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)cc(Cl)c1Br ZINC000564933095 564258450 /nfs/dbraw/zinc/25/84/50/564258450.db2.gz UJUHNWSWXIOGFC-CYBMUJFWSA-N 1 0 386.721 2.531 20 0 GFADRO COC(=O)c1ccc(S(=O)(=O)N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)cc1Cl ZINC000473952203 564259501 /nfs/dbraw/zinc/25/95/01/564259501.db2.gz QASXHXKUSLSVJN-QWHCGFSZSA-N 1 0 388.917 2.525 20 0 GFADRO [NH3+]C[C@H]1c2ccccc2CCN1S(=O)(=O)c1cc(Br)ccc1F ZINC000564963188 564260122 /nfs/dbraw/zinc/26/01/22/564260122.db2.gz JKIHPTJSRHRCKE-HNNXBMFYSA-N 1 0 399.285 2.835 20 0 GFADRO COc1ccc(CNC(=O)CCN(C)c2cc[nH+]cc2)cc1Br ZINC000540926582 564260288 /nfs/dbraw/zinc/26/02/88/564260288.db2.gz JGYMEXKZKKCBPO-UHFFFAOYSA-N 1 0 378.270 2.995 20 0 GFADRO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)Nc1c(-c2ccc(Br)cc2)ncn1C ZINC000508396681 564262370 /nfs/dbraw/zinc/26/23/70/564262370.db2.gz ILRRMCHAJYAQGP-FZMZJTMJSA-N 1 0 377.286 2.986 20 0 GFADRO C[C@@H]1CC[NH2+][C@@H](C(=O)NC[C@@H]2CCN(c3ccc(Br)cc3)C2)C1 ZINC000565028763 564263158 /nfs/dbraw/zinc/26/31/58/564263158.db2.gz PMMONIIAQVNAKC-JKIFEVAISA-N 1 0 380.330 2.780 20 0 GFADRO CCC[C@@H](C)[C@H](CO)[NH2+]CCS(=O)(=O)c1cccc(Br)c1 ZINC000565046889 564263632 /nfs/dbraw/zinc/26/36/32/564263632.db2.gz GQNAALLZEKDOAN-DOMZBBRYSA-N 1 0 378.332 2.610 20 0 GFADRO C[C@@](CO)([NH2+]C[C@@H](O)COc1cc(Cl)ccc1Cl)c1cccc(O)c1 ZINC000451035984 564266341 /nfs/dbraw/zinc/26/63/41/564266341.db2.gz HGGCPRFEXLYFHN-QAPCUYQASA-N 1 0 386.275 2.936 20 0 GFADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)Cc1cscc1Br ZINC000508609926 564267858 /nfs/dbraw/zinc/26/78/58/564267858.db2.gz TYFWSQYSZMJFCU-LBPRGKRZSA-N 1 0 387.343 2.765 20 0 GFADRO C[NH+](C)C1(CNS(=O)(=O)Cc2ccc(Br)c(F)c2)CCCC1 ZINC000451051660 564268022 /nfs/dbraw/zinc/26/80/22/564268022.db2.gz VRBCLDIHWDUYIY-UHFFFAOYSA-N 1 0 393.322 2.882 20 0 GFADRO CCC[N@H+](CC(=O)Nc1ccc(I)cc1)CC(C)(C)O ZINC000474184378 564268623 /nfs/dbraw/zinc/26/86/23/564268623.db2.gz KZEYWNPONDSXIB-UHFFFAOYSA-N 1 0 390.265 2.713 20 0 GFADRO CN(C(=O)CCC[S@@](=O)c1ccc(Br)cc1)C1(C[NH3+])CCC1 ZINC000565157805 564268854 /nfs/dbraw/zinc/26/88/54/564268854.db2.gz SGOCJWONRAADER-JOCHJYFZSA-N 1 0 387.343 2.677 20 0 GFADRO CS(=O)(=O)N(CC(F)(F)F)C1CC[NH+](CCCc2ccsc2)CC1 ZINC000541174812 564269046 /nfs/dbraw/zinc/26/90/46/564269046.db2.gz HNHRPXJTSZLXBG-UHFFFAOYSA-N 1 0 384.489 2.969 20 0 GFADRO C[C@@H](NS(=O)(=O)c1cccc(Br)c1F)C(C)(C)C[NH+](C)C ZINC000541211645 564269774 /nfs/dbraw/zinc/26/97/74/564269774.db2.gz CEPDGTPPRCUDRV-SNVBAGLBSA-N 1 0 381.311 2.843 20 0 GFADRO C[NH+](C)CCn1ccc(C(=O)N2CC[C@H](c3cccc(Br)c3)C2)n1 ZINC000565212571 564271062 /nfs/dbraw/zinc/27/10/62/564271062.db2.gz JFVOCJQOJCRPNK-HNNXBMFYSA-N 1 0 391.313 2.837 20 0 GFADRO C[NH+](C)CCn1ccc(C(=O)N2CC[C@@H](c3cccc(Br)c3)C2)n1 ZINC000565212572 564271121 /nfs/dbraw/zinc/27/11/21/564271121.db2.gz JFVOCJQOJCRPNK-OAHLLOKOSA-N 1 0 391.313 2.837 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)C[NH2+][C@@H](C1CC1)[C@]1(CO)CCCO1 ZINC000565260413 564272829 /nfs/dbraw/zinc/27/28/29/564272829.db2.gz WFYQVGFGMXNPIC-ZWKOTPCHSA-N 1 0 397.313 2.606 20 0 GFADRO C[C@@H](CC[NH2+]Cc1ccc(Br)cc1N1CCOCC1)[S@](C)=O ZINC000474356650 564275779 /nfs/dbraw/zinc/27/57/79/564275779.db2.gz RHXAOQLSKFVYFL-XMHCIUCPSA-N 1 0 389.359 2.532 20 0 GFADRO COCCN(C)C[C@@H](O)C[NH2+][C@H](c1ccc(Br)cc1)C1CCC1 ZINC000565370282 564277984 /nfs/dbraw/zinc/27/79/84/564277984.db2.gz PFRSRKXGSBAERB-ROUUACIJSA-N 1 0 385.346 2.819 20 0 GFADRO C[C@@H]([NH2+]C[C@H](CO)Cc1ccc(Br)cc1)C(C)(C)n1cncn1 ZINC000565378278 564278055 /nfs/dbraw/zinc/27/80/55/564278055.db2.gz RARAJGBGVSWBNV-UKRRQHHQSA-N 1 0 381.318 2.605 20 0 GFADRO [NH3+]CC12CCC(CC1)CN2S(=O)(=O)c1ccc(Br)c(Cl)c1 ZINC000565434913 564280590 /nfs/dbraw/zinc/28/05/90/564280590.db2.gz WRYYEHTUTNQRGS-UHFFFAOYSA-N 1 0 393.734 2.995 20 0 GFADRO COC(=O)C(C)(C)CC[NH2+]CCCNC(=O)c1cccc(Br)c1 ZINC000474624387 564283620 /nfs/dbraw/zinc/28/36/20/564283620.db2.gz WLPUNNDLOIRIFD-UHFFFAOYSA-N 1 0 385.302 2.748 20 0 GFADRO CCOC[C@H](O)C[N@@H+]1CC[C@@H](Cc2cccc(I)c2)C1 ZINC000451195726 564285665 /nfs/dbraw/zinc/28/56/65/564285665.db2.gz UZTKEXQKWZOIIC-GOEBONIOSA-N 1 0 389.277 2.553 20 0 GFADRO C[C@@H]([NH2+]CCS(=O)(=O)N1CCSCC1)[C@H](C)c1ccc(Cl)cc1 ZINC000474717573 564287034 /nfs/dbraw/zinc/28/70/34/564287034.db2.gz YBMSHAWNXJINAF-UONOGXRCSA-N 1 0 376.975 2.800 20 0 GFADRO CC[N@@H+]1CCC[C@@H](CNC(=O)c2cc(I)ccc2F)C1 ZINC000541720859 564287085 /nfs/dbraw/zinc/28/70/85/564287085.db2.gz CTKAPBILWDYPAK-NSHDSACASA-N 1 0 390.240 2.892 20 0 GFADRO CN(CCC[NH+]1CCCC1)S(=O)(=O)N(C)Cc1c(F)cccc1Cl ZINC000541761778 564287808 /nfs/dbraw/zinc/28/78/08/564287808.db2.gz YQVNSDWTKIVJAP-UHFFFAOYSA-N 1 0 377.913 2.573 20 0 GFADRO CS[C@@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2C)C[C@@H]1[NH+](C)C ZINC000509222044 564288727 /nfs/dbraw/zinc/28/87/27/564288727.db2.gz FUZMTKKTIDSSMS-QWHCGFSZSA-N 1 0 382.473 2.680 20 0 GFADRO CN(C)C(=O)NCC[N@H+](C)Cc1ccc(Br)c(Br)c1 ZINC000541774787 564289181 /nfs/dbraw/zinc/28/91/81/564289181.db2.gz KQDNLQVLWKUWKB-UHFFFAOYSA-N 1 0 393.123 2.915 20 0 GFADRO CC(=O)N1CC[C@@H]([NH2+][C@@H](C)CCc2ccc(I)cc2)C1 ZINC000474797892 564289229 /nfs/dbraw/zinc/28/92/29/564289229.db2.gz AWBKFEXGIRKAKG-BLLLJJGKSA-N 1 0 386.277 2.823 20 0 GFADRO C[C@@H](CCc1ccc(I)cc1)[NH2+][C@H]1CCCN(C)C1=O ZINC000474800658 564289378 /nfs/dbraw/zinc/28/93/78/564289378.db2.gz URURDZFQDVQULY-WFASDCNBSA-N 1 0 386.277 2.823 20 0 GFADRO C[C@H](CCc1ccc(I)cc1)[NH2+]C[C@H](O)[C@H]1CCOC1 ZINC000474798801 564289574 /nfs/dbraw/zinc/28/95/74/564289574.db2.gz AGPYXMSQULUGIE-INWMFGNUSA-N 1 0 389.277 2.599 20 0 GFADRO C[C@@H]([NH2+][C@@H]1CCC1(C)C)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000565664164 564289790 /nfs/dbraw/zinc/28/97/90/564289790.db2.gz FUENZRLQGSXLFN-IAQYHMDHSA-N 1 0 387.933 2.696 20 0 GFADRO Cc1nc2ccc(Br)cn2c1C(=O)NCC[N@H+]1CCC[C@@H](C)C1 ZINC000474908870 564293033 /nfs/dbraw/zinc/29/30/33/564293033.db2.gz PGCVKSUWZCKQEB-GFCCVEGCSA-N 1 0 379.302 2.867 20 0 GFADRO Cc1ccccc1[C@H]([C@H](C)NC(=O)c1c(Br)cnn1C)[NH+](C)C ZINC000451262545 564293312 /nfs/dbraw/zinc/29/33/12/564293312.db2.gz GSWAHSUKYJBZDN-WFASDCNBSA-N 1 0 379.302 2.912 20 0 GFADRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)C(=O)N(C)Cc2ccc(Cl)s2)C1 ZINC000565730486 564293333 /nfs/dbraw/zinc/29/33/33/564293333.db2.gz OMVPVRVCIFNIIR-KBPBESRZSA-N 1 0 385.961 2.844 20 0 GFADRO C[C@H]([NH2+]C[C@]1(N2CCOCC2)CCSC1)c1ccc(Br)cn1 ZINC000565750582 564294233 /nfs/dbraw/zinc/29/42/33/564294233.db2.gz VDFJOXDZFVRCJQ-XJKSGUPXSA-N 1 0 386.359 2.703 20 0 GFADRO CCC[NH+]1CCC(N(C)c2nnc(-c3cc(Br)c[nH]3)n2C)CC1 ZINC000565742591 564294287 /nfs/dbraw/zinc/29/42/87/564294287.db2.gz CTVJEDAZTXUQPL-UHFFFAOYSA-N 1 0 381.322 2.883 20 0 GFADRO C[C@H](CO)[N@@H+]1CCCN(C(=O)c2c(Cl)cc(F)cc2Br)CC1 ZINC000451279510 564295009 /nfs/dbraw/zinc/29/50/09/564295009.db2.gz XIXDBTGQGMYDIU-SNVBAGLBSA-N 1 0 393.684 2.770 20 0 GFADRO Cc1cc(C)c(C(=O)NC[C@H](C2CC2)[NH+](C)C)cc1I ZINC000474953795 564295493 /nfs/dbraw/zinc/29/54/93/564295493.db2.gz MTKFTDRPFRPMIV-OAHLLOKOSA-N 1 0 386.277 2.978 20 0 GFADRO C[NH+](C)CCCOC1CCN(S(=O)(=O)C[C@@H]2CCCCC2(F)F)CC1 ZINC000451283621 564295500 /nfs/dbraw/zinc/29/55/00/564295500.db2.gz IEFGVMMSTXTFCH-HNNXBMFYSA-N 1 0 382.517 2.574 20 0 GFADRO Cc1nc2ccc(Br)cn2c1C(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000474971137 564296332 /nfs/dbraw/zinc/29/63/32/564296332.db2.gz GBPPVSBAZCWYMI-LBPRGKRZSA-N 1 0 379.302 2.867 20 0 GFADRO CC(C)C[C@]1(C)CCC[N@@H+]1CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl ZINC000451291452 564296974 /nfs/dbraw/zinc/29/69/74/564296974.db2.gz OUPHYVQPPYJCGN-KRWDZBQOSA-N 1 0 387.933 2.827 20 0 GFADRO O[C@H](COc1c(Cl)cccc1Cl)C[N@@H+]1C[C@H](O)C[C@@H]1[C@@H]1CCCOC1 ZINC000451294649 564297491 /nfs/dbraw/zinc/29/74/91/564297491.db2.gz CNFMFIXILLUPCC-VWPFQQQWSA-N 1 0 390.307 2.595 20 0 GFADRO O=S(=O)(NCC[NH2+][C@H]1CCc2ccccc2C1)c1ccc(F)cc1Cl ZINC000509410684 564297623 /nfs/dbraw/zinc/29/76/23/564297623.db2.gz NWJQXUIZZKQJIW-INIZCTEOSA-N 1 0 382.888 2.905 20 0 GFADRO Cc1ccccc1[C@H](CO)[NH2+]C[C@@H](O)COc1ccc(Br)cc1 ZINC000541980731 564297837 /nfs/dbraw/zinc/29/78/37/564297837.db2.gz KTMVFYPKAOPKID-QAPCUYQASA-N 1 0 380.282 2.820 20 0 GFADRO O[C@@H]1C[C@H]([C@@H]2CCCOC2)[N@H+](Cc2nc3cc(Br)ccc3[nH]2)C1 ZINC000451309472 564298560 /nfs/dbraw/zinc/29/85/60/564298560.db2.gz WTEUPONDFJUDCL-AXAPSJFSSA-N 1 0 380.286 2.687 20 0 GFADRO Cc1nc(CN2C[C@@H](F)C[C@H]2C[NH2+]Cc2ccc([S@](C)=O)cc2)cs1 ZINC000475042546 564298648 /nfs/dbraw/zinc/29/86/48/564298648.db2.gz MYLLSBAYFAIQDQ-RTNKVPBISA-N 1 0 381.542 2.891 20 0 GFADRO C[N@@H+]1CC[C@@H]2CCN(Cc3ccc(Br)cc3N3CCOCC3)[C@H]2C1 ZINC000475103804 564300554 /nfs/dbraw/zinc/30/05/54/564300554.db2.gz NKLSKJHYLRRKOE-BEFAXECRSA-N 1 0 394.357 2.812 20 0 GFADRO COCC[N@@H+]1CC[C@@H](NC(=O)c2cc3cc(C)cc(Br)c3o2)C1 ZINC000542081891 564300671 /nfs/dbraw/zinc/30/06/71/564300671.db2.gz JMVLPFDRGPHKHY-CYBMUJFWSA-N 1 0 381.270 2.954 20 0 GFADRO C[NH+](C)[C@H]1CCC[C@H](NS(=O)(=O)c2cccc(Br)c2F)C1 ZINC000542141687 564302035 /nfs/dbraw/zinc/30/20/35/564302035.db2.gz RPYJMSFWSCYATE-QWRGUYRKSA-N 1 0 379.295 2.739 20 0 GFADRO Cc1[nH+]ccc(NCCNS(=O)(=O)c2ccc(F)cc2Cl)c1Cl ZINC000509510722 564302267 /nfs/dbraw/zinc/30/22/67/564302267.db2.gz LEIUDPWPFJIQFW-UHFFFAOYSA-N 1 0 378.256 2.648 20 0 GFADRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1Nc1ncc(S(N)(=O)=O)s1 ZINC000509514596 564302598 /nfs/dbraw/zinc/30/25/98/564302598.db2.gz FVNFUFACSTVNHM-CQSZACIVSA-N 1 0 380.539 2.503 20 0 GFADRO CS(=O)(=O)c1ccc(C[NH2+]Cc2ccc(Cl)cc2-n2cncn2)s1 ZINC000475204603 564302834 /nfs/dbraw/zinc/30/28/34/564302834.db2.gz HPCZFYDEUMVBFC-UHFFFAOYSA-N 1 0 382.898 2.676 20 0 GFADRO CC(C)[C@@H]([NH2+]Cc1cc(Cl)cs1)C(=O)N(C)Cc1nnc2n1CCC2 ZINC000475331983 564305977 /nfs/dbraw/zinc/30/59/77/564305977.db2.gz LXNDUGQFXSJRGM-MRXNPFEDSA-N 1 0 381.933 2.712 20 0 GFADRO C[NH+](C)CCn1ccc(C(=O)NCC2(c3ccccc3Br)CC2)n1 ZINC000566018917 564306349 /nfs/dbraw/zinc/30/63/49/564306349.db2.gz SPEKQKAWAUUYQC-UHFFFAOYSA-N 1 0 391.313 2.669 20 0 GFADRO COC1CC[NH+](C(C)(C)CNS(=O)(=O)c2ccc(C(F)F)cc2)CC1 ZINC000566026787 564307019 /nfs/dbraw/zinc/30/70/19/564307019.db2.gz GUJJRMAILVEGRC-UHFFFAOYSA-N 1 0 376.469 2.792 20 0 GFADRO C[C@H](CNS(=O)(=O)c1ccc(OCC(F)F)cc1)[NH+]1CCC(C)CC1 ZINC000542254347 564307900 /nfs/dbraw/zinc/30/79/00/564307900.db2.gz RZHYAPKCJDGYTC-CQSZACIVSA-N 1 0 376.469 2.729 20 0 GFADRO COc1cncc(S(=O)(=O)NC[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)c1 ZINC000542314624 564309392 /nfs/dbraw/zinc/30/93/92/564309392.db2.gz SSTQUYCLVNACHN-CXAGYDPISA-N 1 0 381.523 2.513 20 0 GFADRO COC[C@]1(CNC(=O)c2ccn(-c3ccc(Cl)c(Cl)c3)n2)CCC[NH2+]1 ZINC000566102351 564309524 /nfs/dbraw/zinc/30/95/24/564309524.db2.gz JRPQNUOJCPXEFM-QGZVFWFLSA-N 1 0 383.279 2.678 20 0 GFADRO COc1cc(C[NH2+][C@]2(C)CCO[C@@H]2C)cc(I)c1OC ZINC000542313897 564309609 /nfs/dbraw/zinc/30/96/09/564309609.db2.gz IHWIEJFVZNRKPW-MEBBXXQBSA-N 1 0 391.249 2.966 20 0 GFADRO Cc1cc(Br)cn2c(C[NH2+]C[C@H](CO)Cc3ccco3)cnc12 ZINC000542312834 564309623 /nfs/dbraw/zinc/30/96/23/564309623.db2.gz GTKNTILFRJTYNR-CYBMUJFWSA-N 1 0 378.270 2.939 20 0 GFADRO CN(C)C(=O)C1([NH2+]C[C@@H](O)COc2ccc(Br)cc2)CCCCC1 ZINC000451405539 564310167 /nfs/dbraw/zinc/31/01/67/564310167.db2.gz PJVCUUSQRWUYRL-OAHLLOKOSA-N 1 0 399.329 2.570 20 0 GFADRO CN(C)C(=O)C1([NH2+]CC(=O)Nc2ccc(Br)cc2)CCCCC1 ZINC000451408812 564310437 /nfs/dbraw/zinc/31/04/37/564310437.db2.gz ZRYLQAKJOVNKFD-UHFFFAOYSA-N 1 0 382.302 2.768 20 0 GFADRO C[N@H+](C[C@H](O)CNc1cccc(Oc2ncc(Br)cn2)c1)C1CC1 ZINC000566129057 564311670 /nfs/dbraw/zinc/31/16/70/564311670.db2.gz UYTUXROWSAQMRG-OAHLLOKOSA-N 1 0 393.285 2.898 20 0 GFADRO O=C1[C@@H]([NH2+]C[C@H](O)Cc2ccccc2)CCN1c1cccc(Br)c1 ZINC000566124385 564311718 /nfs/dbraw/zinc/31/17/18/564311718.db2.gz JUJNHPIONVFOPS-MSOLQXFVSA-N 1 0 389.293 2.748 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1ccc(Br)cc1F ZINC000475573397 564312312 /nfs/dbraw/zinc/31/23/12/564312312.db2.gz SGZLIGSBLAFCNU-LLVKDONJSA-N 1 0 379.295 2.741 20 0 GFADRO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@@H](C)c1cc2c(cc1Br)OCCO2 ZINC000566171288 564313382 /nfs/dbraw/zinc/31/33/82/564313382.db2.gz FGQBYPFVBDFOMA-MJVIPROJSA-N 1 0 383.286 2.786 20 0 GFADRO Cc1ncsc1CCS(=O)(=O)N[C@@H](C)[C@H](c1ccccc1C)[NH+](C)C ZINC000451453666 564314997 /nfs/dbraw/zinc/31/49/97/564314997.db2.gz OGWSBSYNWQYUQE-MAUKXSAKSA-N 1 0 381.567 2.913 20 0 GFADRO C[NH+](C)C1(CNS(=O)(=O)c2ccc(Cl)cc2Br)CCC1 ZINC000542485451 564315359 /nfs/dbraw/zinc/31/53/59/564315359.db2.gz BJXKUMZGHJXACR-UHFFFAOYSA-N 1 0 381.723 2.865 20 0 GFADRO Cc1cc([C@H](C)[NH2+]CC(=O)N(CC(C)C)[C@H]2CCS(=O)(=O)C2)c(C)s1 ZINC000542509442 564316244 /nfs/dbraw/zinc/31/62/44/564316244.db2.gz BIROKZONAPMKFC-HOCLYGCPSA-N 1 0 386.583 2.687 20 0 GFADRO C[C@@H]([NH3+])[C@@H](C)NC(=O)c1nn(-c2ccc(Br)cc2)c2c1CCCC2 ZINC000566214443 564317283 /nfs/dbraw/zinc/31/72/83/564317283.db2.gz JEMGOSIDUGJJQA-VXGBXAGGSA-N 1 0 391.313 2.979 20 0 GFADRO C[NH+](C)C[C@H]1CCN(Cc2ncc(Br)cc2Br)C1 ZINC000542518341 564317378 /nfs/dbraw/zinc/31/73/78/564317378.db2.gz ZIHLHPVIXULALR-SNVBAGLBSA-N 1 0 377.124 2.990 20 0 GFADRO CO[C@]1(C)C[C@@H]([NH2+]Cc2nnnn2-c2ccccc2Br)C1(C)C ZINC000451481960 564317818 /nfs/dbraw/zinc/31/78/18/564317818.db2.gz BWAVHSNCAHHYBB-CZUORRHYSA-N 1 0 380.290 2.718 20 0 GFADRO CC[C@@H]1C[N@H+](C)CCCN1S(=O)(=O)Cc1ccc(Br)c(F)c1 ZINC000451506199 564320816 /nfs/dbraw/zinc/32/08/16/564320816.db2.gz UMEZAKRIJXZJEN-CYBMUJFWSA-N 1 0 393.322 2.834 20 0 GFADRO CC(C)c1cc(Br)ccc1NC(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000566294409 564321880 /nfs/dbraw/zinc/32/18/80/564321880.db2.gz ZFVHTXQKTDYZQJ-OAHLLOKOSA-N 1 0 382.302 2.769 20 0 GFADRO C[C@H]1C[C@H](NC(=O)NC(C)(C)COc2ncccc2Br)CC[N@@H+]1C ZINC000542748824 564323637 /nfs/dbraw/zinc/32/36/37/564323637.db2.gz UPPWYIWPWHRBPO-QWHCGFSZSA-N 1 0 399.333 2.783 20 0 GFADRO Cc1cc(Br)cn2cc(CNC(=O)NC[C@H]3CCC[N@@H+](C)C3)nc12 ZINC000542771073 564325968 /nfs/dbraw/zinc/32/59/68/564325968.db2.gz XXSXGTJUXKWEMB-CYBMUJFWSA-N 1 0 394.317 2.546 20 0 GFADRO O=C1NC2(CCCC2)C(=O)N1CCC[NH2+]Cc1cscc1Br ZINC000510212928 564328326 /nfs/dbraw/zinc/32/83/26/564328326.db2.gz ZCMVNEGWLPNTMV-UHFFFAOYSA-N 1 0 386.315 2.855 20 0 GFADRO CC[NH+](CC)C[C@@H](C)NC(=O)N[C@@H](CCO)c1ccccc1Br ZINC000542895964 564330701 /nfs/dbraw/zinc/33/07/01/564330701.db2.gz POSQYKSZWGJYQS-CJNGLKHVSA-N 1 0 386.334 2.902 20 0 GFADRO CC(C)[C@@H](CO)[C@H]([NH2+]Cc1nnnn1-c1ccccc1Br)C(C)C ZINC000451613991 564331194 /nfs/dbraw/zinc/33/11/94/564331194.db2.gz ODGCEVXITKLRSR-CXAGYDPISA-N 1 0 396.333 2.804 20 0 GFADRO Cc1nc2ccc(Br)cn2c1C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000476303814 564334038 /nfs/dbraw/zinc/33/40/38/564334038.db2.gz GIUUWCIDZLZQCJ-IINYFYTJSA-N 1 0 377.286 2.618 20 0 GFADRO Cc1nc2ccc(Br)cn2c1C(=O)N[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000476303819 564334114 /nfs/dbraw/zinc/33/41/14/564334114.db2.gz GIUUWCIDZLZQCJ-YGRLFVJLSA-N 1 0 377.286 2.618 20 0 GFADRO COc1cc(C[NH2+][C@@H](C)C[C@H](C)O)cc(I)c1OC ZINC000543060501 564336519 /nfs/dbraw/zinc/33/65/19/564336519.db2.gz IYEWTYCWCJPASP-UWVGGRQHSA-N 1 0 379.238 2.557 20 0 GFADRO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)Cn1cc(Br)cn1)[NH+](C)C ZINC000510527369 564337653 /nfs/dbraw/zinc/33/76/53/564337653.db2.gz XIBQVDGNCXETCX-CXAGYDPISA-N 1 0 379.302 2.762 20 0 GFADRO C[C@@H]1CN(C[C@@H](O)C[NH2+]Cc2cc(Cl)cc(Br)c2)C[C@H](C)O1 ZINC000566673965 564338542 /nfs/dbraw/zinc/33/85/42/564338542.db2.gz JTEVDXYEKJYHNH-OZVIIMIRSA-N 1 0 391.737 2.662 20 0 GFADRO CS(=O)(=O)NCC[NH2+]C1(c2ccccc2Br)CCCCC1 ZINC000451690291 564340051 /nfs/dbraw/zinc/34/00/51/564340051.db2.gz NZTKKDPUIXBUEU-UHFFFAOYSA-N 1 0 375.332 2.747 20 0 GFADRO C[C@@H](NS(=O)(=O)CC[NH+]1CCCC1)c1ccc(Br)cc1F ZINC000510684886 564344282 /nfs/dbraw/zinc/34/42/82/564344282.db2.gz UGSXUTKNHKQEOO-LLVKDONJSA-N 1 0 379.295 2.664 20 0 GFADRO CN(CCC[NH+](C)C)C(=O)N[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000566848991 564346010 /nfs/dbraw/zinc/34/60/10/564346010.db2.gz GFYBZGPRGKRXSR-HNNXBMFYSA-N 1 0 383.334 2.621 20 0 GFADRO O=C(N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1)N[C@@H]1C[NH2+]CCC1(F)F ZINC000566904706 564348620 /nfs/dbraw/zinc/34/86/20/564348620.db2.gz OSLNPONRLQVOQH-ZWKOPEQDSA-N 1 0 392.219 2.741 20 0 GFADRO COc1cc[nH+]c(N2CCN(C(=O)Cc3ccc(Br)s3)CC2)c1 ZINC000510864789 564348884 /nfs/dbraw/zinc/34/88/84/564348884.db2.gz UVFIHVKIPKVGFK-UHFFFAOYSA-N 1 0 396.310 2.806 20 0 GFADRO CN(CC1([NH+](C)C)CCC1)S(=O)(=O)c1cccc(Br)c1F ZINC000543415430 564350296 /nfs/dbraw/zinc/35/02/96/564350296.db2.gz VMSWVRORFZWNCZ-UHFFFAOYSA-N 1 0 379.295 2.693 20 0 GFADRO CCC(C)(C)[NH2+][C@H](C)C(=O)NCC(=O)Nc1ccc(Br)cc1C ZINC000543417199 564350381 /nfs/dbraw/zinc/35/03/81/564350381.db2.gz PAAHZKMBTGZZLB-GFCCVEGCSA-N 1 0 384.318 2.979 20 0 GFADRO CCC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1cc(OC)c(OC)cc1Cl ZINC000510985675 564352531 /nfs/dbraw/zinc/35/25/31/564352531.db2.gz QUCGUWKKBOQMGY-LBPRGKRZSA-N 1 0 376.906 2.510 20 0 GFADRO CC[NH+](CC)CCOCCNC(=O)c1cn(C)nc1-c1ccc(Cl)s1 ZINC000476746486 564353052 /nfs/dbraw/zinc/35/30/52/564353052.db2.gz MVWOKQJOFZAIEE-UHFFFAOYSA-N 1 0 384.933 2.890 20 0 GFADRO CS(=O)(=O)NCC[NH2+][C@H](Cc1ccccc1)c1nc2ccccc2s1 ZINC000451812629 564354228 /nfs/dbraw/zinc/35/42/28/564354228.db2.gz CRBAKWKMJYFOFT-MRXNPFEDSA-N 1 0 375.519 2.719 20 0 GFADRO CC[NH+](CC)CCOCCNC(=O)Cc1cc(F)ccc1Br ZINC000543610869 564355168 /nfs/dbraw/zinc/35/51/68/564355168.db2.gz XZMYKXSZXPHIFJ-UHFFFAOYSA-N 1 0 375.282 2.605 20 0 GFADRO CS(=O)(=O)N1CC[C@@H]([NH2+][C@@H]2CCc3c2cc(Cl)cc3Br)C1 ZINC000567054542 564355253 /nfs/dbraw/zinc/35/52/53/564355253.db2.gz SBIYTPBPRLDGEK-QMTHXVAHSA-N 1 0 393.734 2.713 20 0 GFADRO CS(=O)(=O)N1CC[C@H]([NH2+][C@H]2CCc3c2cc(Cl)cc3Br)C1 ZINC000567054540 564355529 /nfs/dbraw/zinc/35/55/29/564355529.db2.gz SBIYTPBPRLDGEK-HZMBPMFUSA-N 1 0 393.734 2.713 20 0 GFADRO C[C@H](O)C[N@@H+]1CCN(C(=O)CCOc2cccc(Cl)c2Cl)[C@@H](C)C1 ZINC000476847627 564355619 /nfs/dbraw/zinc/35/56/19/564355619.db2.gz KZGOICGCFYFKJU-STQMWFEESA-N 1 0 375.296 2.676 20 0 GFADRO O=C(NCc1nc(-c2cccc(Br)c2)no1)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000567109110 564358539 /nfs/dbraw/zinc/35/85/39/564358539.db2.gz UGKQSFFZJSEKRD-SJKOYZFVSA-N 1 0 391.269 2.505 20 0 GFADRO CN(C[C@@H]1CCC[N@H+](CCOc2ccc(Cl)cc2Cl)C1)S(C)(=O)=O ZINC000511142418 564359681 /nfs/dbraw/zinc/35/96/81/564359681.db2.gz OGIFTDXEGPASIX-ZDUSSCGKSA-N 1 0 395.352 2.976 20 0 GFADRO Cc1cc(CCCC(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)c(C)s1 ZINC000511256603 564364647 /nfs/dbraw/zinc/36/46/47/564364647.db2.gz AUCOQIPSCDPZGE-OAHLLOKOSA-N 1 0 377.476 2.640 20 0 GFADRO CCN1CCN(S(=O)(=O)c2cc(Br)ccc2Cl)[C@@H](C)C1 ZINC000511270674 564364699 /nfs/dbraw/zinc/36/46/99/564364699.db2.gz JGVOOWBTFAXMJV-JTQLQIEISA-N 1 0 381.723 2.817 20 0 GFADRO CS[C@H]1CN(S(=O)(=O)c2cccc(C(F)(F)F)c2)C[C@H]1[NH+]1CCCC1 ZINC000477138792 564366421 /nfs/dbraw/zinc/36/64/21/564366421.db2.gz HQXLEQQXLXVFLP-CABCVRRESA-N 1 0 394.484 2.906 20 0 GFADRO O=C1CC[C@@H]([NH+]2CCN(CCOc3cc(Cl)ccc3Cl)CC2)CCN1 ZINC000451915304 564366513 /nfs/dbraw/zinc/36/65/13/564366513.db2.gz HPCIJSLHTBXATJ-OAHLLOKOSA-N 1 0 386.323 2.659 20 0 GFADRO CS[C@@H]1CN(S(=O)(=O)c2ccccc2C(F)(F)F)C[C@H]1[NH+]1CCCC1 ZINC000477143354 564367340 /nfs/dbraw/zinc/36/73/40/564367340.db2.gz JAJZOPLFSLLCPA-ZIAGYGMSSA-N 1 0 394.484 2.906 20 0 GFADRO O=C1CC[C@@H]([NH+]2CCN(CCCc3ccccc3Br)CC2)CCN1 ZINC000451919639 564367635 /nfs/dbraw/zinc/36/76/35/564367635.db2.gz SQXXXFKLWQQTRI-QGZVFWFLSA-N 1 0 394.357 2.668 20 0 GFADRO CC(C)(CO)[C@H]([NH2+]Cc1cc(Cl)cc(S(N)(=O)=O)c1)c1ccccc1 ZINC000567356839 564367799 /nfs/dbraw/zinc/36/77/99/564367799.db2.gz YOVOTNSEGUXSLD-QGZVFWFLSA-N 1 0 382.913 2.837 20 0 GFADRO [NH3+][C@H]1CCC[C@H](CNC(=O)c2ccc(I)c(F)c2)C1 ZINC000567377190 564368831 /nfs/dbraw/zinc/36/88/31/564368831.db2.gz ZVNYYTXBRMVAHJ-ONGXEEELSA-N 1 0 376.213 2.678 20 0 GFADRO COC[C@@]1(CO)CC[N@H+](CC(=O)N[C@@H](C)c2ccc(Cl)c(Cl)c2)C1 ZINC000451930599 564369517 /nfs/dbraw/zinc/36/95/17/564369517.db2.gz QZSWOMWEDZFHIZ-SJCJKPOMSA-N 1 0 375.296 2.501 20 0 GFADRO COc1cc(C)c(Br)cc1C(=O)N(CC[NH+](C)C)C[C@H]1CCCO1 ZINC000511380042 564369708 /nfs/dbraw/zinc/36/97/08/564369708.db2.gz GTRWUVVGVJWEDI-CQSZACIVSA-N 1 0 399.329 2.949 20 0 GFADRO C[N@H+](Cc1ccccc1)[C@H](CNC(=O)Cn1cc(Br)cn1)C1CC1 ZINC000477234740 564369771 /nfs/dbraw/zinc/36/97/71/564369771.db2.gz RYPVDKBAANCUSQ-QGZVFWFLSA-N 1 0 391.313 2.672 20 0 GFADRO COC[C@@]1(CO)CCN(Cc2ncc(-c3cccc(Br)c3)o2)C1 ZINC000451940041 564370607 /nfs/dbraw/zinc/37/06/07/564370607.db2.gz ZXMVRBMAEAYEDP-KRWDZBQOSA-N 1 0 381.270 2.935 20 0 GFADRO Cc1ccc(I)cc1C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000477326437 564373577 /nfs/dbraw/zinc/37/35/77/564373577.db2.gz UMXUXTQIMRMASU-CABCVRRESA-N 1 0 384.261 2.956 20 0 GFADRO C[C@H](CC[NH3+])NC(=O)c1cccn1-c1cccc(I)c1 ZINC000477360192 564373891 /nfs/dbraw/zinc/37/38/91/564373891.db2.gz NPZMELMFLMCNGB-LLVKDONJSA-N 1 0 383.233 2.549 20 0 GFADRO C[C@@](CO)([NH2+]C[C@H](O)COc1ccccc1F)c1ccc(Br)cc1 ZINC000511548225 564375612 /nfs/dbraw/zinc/37/56/12/564375612.db2.gz XLSKCZWZWVHPSV-YJBOKZPZSA-N 1 0 398.272 2.825 20 0 GFADRO Cc1ccccc1OC[C@H](O)C[NH2+][C@](C)(CO)c1ccc(Br)cc1 ZINC000511607220 564377419 /nfs/dbraw/zinc/37/74/19/564377419.db2.gz TYVHRDXRXRABTP-IEBWSBKVSA-N 1 0 394.309 2.995 20 0 GFADRO O=C(NCC[C@H]1CCC[NH2+]C1)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000567572509 564377482 /nfs/dbraw/zinc/37/74/82/564377482.db2.gz BVURRDGPFAGVSK-CYBMUJFWSA-N 1 0 386.327 2.610 20 0 GFADRO Ic1cnc(C[NH2+]C[C@H]2CCCCN2C2CC2)s1 ZINC000511764129 564381281 /nfs/dbraw/zinc/38/12/81/564381281.db2.gz CJMWKXFATSVVQX-LLVKDONJSA-N 1 0 377.295 2.854 20 0 GFADRO CCO[C@@H]1CCC[C@H]1[NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000452020169 564382970 /nfs/dbraw/zinc/38/29/70/564382970.db2.gz SVPFMNRDIRIUKK-FVQBIDKESA-N 1 0 376.266 2.875 20 0 GFADRO Cn1c(=O)oc2cc(C[NH2+][C@H](CO)c3ccc(Br)cc3)ccc21 ZINC000511863039 564384258 /nfs/dbraw/zinc/38/42/58/564384258.db2.gz YDSTXICYBBLKAN-CQSZACIVSA-N 1 0 377.238 2.717 20 0 GFADRO CCc1cnccc1C[NH2+]CCS(=O)(=O)c1cccc(Br)c1 ZINC000567710264 564384475 /nfs/dbraw/zinc/38/44/75/564384475.db2.gz HUZDINIFZWXVFO-UHFFFAOYSA-N 1 0 383.311 2.970 20 0 GFADRO C[C@H](O)[C@H](C)[NH2+]C[C@H]1CCCN1Cc1ccc(I)cc1 ZINC000567700616 564384596 /nfs/dbraw/zinc/38/45/96/564384596.db2.gz NBVQYTIUSRWDPI-HEHGZKQESA-N 1 0 388.293 2.615 20 0 GFADRO Ic1ccc2c(c1)[C@@H]([NH2+]CCCn1ccnn1)CCCO2 ZINC000544373816 564384805 /nfs/dbraw/zinc/38/48/05/564384805.db2.gz SRRDSDFTQQIYLA-AWEZNQCLSA-N 1 0 398.248 2.776 20 0 GFADRO C[C@H](Oc1ccc(Cl)cc1Br)C(=O)NCCNc1cc[nH+]cc1 ZINC000512006351 564388625 /nfs/dbraw/zinc/38/86/25/564388625.db2.gz FWEXFLOHWLWOTG-NSHDSACASA-N 1 0 398.688 2.915 20 0 GFADRO CC1(C)CCC[N@@H+]1CCNS(=O)(=O)c1cc(F)ccc1Br ZINC000452095550 564390309 /nfs/dbraw/zinc/39/03/09/564390309.db2.gz YRQNFJSZZSFBKV-UHFFFAOYSA-N 1 0 379.295 2.741 20 0 GFADRO C[C@H](Cn1cc(Br)cn1)[NH2+]C[C@H](CO)Cc1ccc(F)c(F)c1 ZINC000477930986 564390452 /nfs/dbraw/zinc/39/04/52/564390452.db2.gz BWOWASVBQNFPOF-DGCLKSJQSA-N 1 0 388.256 2.753 20 0 GFADRO Ic1cnc(CNC2CC[NH+](C3CCC3)CC2)s1 ZINC000512098569 564391500 /nfs/dbraw/zinc/39/15/00/564391500.db2.gz IEGLRLZPYITMBD-UHFFFAOYSA-N 1 0 377.295 2.854 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)NCC1CC[NH+](CCO)CC1 ZINC000477958810 564391925 /nfs/dbraw/zinc/39/19/25/564391925.db2.gz AHTODOWKCCLDCS-UHFFFAOYSA-N 1 0 384.318 2.837 20 0 GFADRO CC(C)[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2ccc(Br)c(F)c2)C1 ZINC000452098235 564392103 /nfs/dbraw/zinc/39/21/03/564392103.db2.gz AMYWTKDYCAQEQL-LLVKDONJSA-N 1 0 379.295 2.691 20 0 GFADRO CC(C)[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2cccc(OC(F)(F)F)c2F)C1 ZINC000452105281 564392604 /nfs/dbraw/zinc/39/26/04/564392604.db2.gz NPBVOWIJWJSWQG-NSHDSACASA-N 1 0 384.395 2.828 20 0 GFADRO O=S1(=O)C[C@H](C[NH2+]Cc2cccc(Br)c2)Oc2ccccc21 ZINC000567853154 564392780 /nfs/dbraw/zinc/39/27/80/564392780.db2.gz YWLTZKHYDWEQDB-AWEZNQCLSA-N 1 0 382.279 2.774 20 0 GFADRO C[NH2+]CC1CCN(S(=O)(=O)c2cc(C)c(Br)cc2F)CC1 ZINC000567850652 564392890 /nfs/dbraw/zinc/39/28/90/564392890.db2.gz YZTPSGYIGSYEKB-UHFFFAOYSA-N 1 0 379.295 2.517 20 0 GFADRO COc1cc(C(F)(F)F)cc(S(=O)(=O)N(C)[C@H]2CC[N@@H+](C(C)C)C2)c1 ZINC000452101351 564392908 /nfs/dbraw/zinc/39/29/08/564392908.db2.gz GGIQWAXUSYNWRX-ZDUSSCGKSA-N 1 0 380.432 2.817 20 0 GFADRO C[C@H]1CN(C(=O)NCCOc2ccc3cc(Br)ccc3c2)C[C@H]1[NH3+] ZINC000567871270 564393973 /nfs/dbraw/zinc/39/39/73/564393973.db2.gz FTJODFFBOAFZMY-YVEFUNNKSA-N 1 0 392.297 2.970 20 0 GFADRO CC(C)[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2cc(Br)ccc2F)C1 ZINC000452109375 564394167 /nfs/dbraw/zinc/39/41/67/564394167.db2.gz YATNWEIFTGYSQP-GFCCVEGCSA-N 1 0 379.295 2.691 20 0 GFADRO OCCC[C@@H]1CC[N@H+](C[C@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000452131767 564394929 /nfs/dbraw/zinc/39/49/29/564394929.db2.gz PNLXDKMUWYOEMJ-OCCSQVGLSA-N 1 0 392.721 2.937 20 0 GFADRO CCC[C@H]([NH2+]C(C)C)C(=O)N[C@H](CO)c1ccc(Br)c(F)c1 ZINC000452123227 564395364 /nfs/dbraw/zinc/39/53/64/564395364.db2.gz MKFAABMMRHKKDH-LSDHHAIUSA-N 1 0 375.282 2.905 20 0 GFADRO CC[NH+]1CCN([C@@H](C)CNC(=O)[C@H]2CCc3cc(Br)ccc32)CC1 ZINC000567938948 564397029 /nfs/dbraw/zinc/39/70/29/564397029.db2.gz MLOSEVVNHJHKBE-KSSFIOAISA-N 1 0 394.357 2.621 20 0 GFADRO CC[NH+](CC)CCNC(=O)[C@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000478246743 564397473 /nfs/dbraw/zinc/39/74/73/564397473.db2.gz AYCVRDFGAVJZSL-GUYCJALGSA-N 1 0 386.323 2.971 20 0 GFADRO OCC1([NH2+]C[C@@H](O)COc2ccc(Cl)cc2Cl)Cc2ccccc2C1 ZINC000512333889 564398156 /nfs/dbraw/zinc/39/81/56/564398156.db2.gz YFXKIMPKQZIDGQ-MRXNPFEDSA-N 1 0 382.287 2.853 20 0 GFADRO COCC[NH2+]C1CCN(CC(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)CC1 ZINC000568051692 564402452 /nfs/dbraw/zinc/40/24/52/564402452.db2.gz YZZPGGOHLYPPJV-ZDUSSCGKSA-N 1 0 388.339 2.871 20 0 GFADRO CCCC[N@H+](C)C[C@H](C)NS(=O)(=O)c1ccc(Br)c(OC)c1 ZINC000568056607 564402982 /nfs/dbraw/zinc/40/29/82/564402982.db2.gz ZCBUAJFIPUESNY-LBPRGKRZSA-N 1 0 393.347 2.856 20 0 GFADRO CCC(CC)(C[NH3+])NS(=O)(=O)c1cc(Cl)c(OCCOC)c(Cl)c1 ZINC000568086997 564404437 /nfs/dbraw/zinc/40/44/37/564404437.db2.gz IGJGMGJADMENKE-UHFFFAOYSA-N 1 0 399.340 2.814 20 0 GFADRO C[N@@H+]1CCC[C@]2(CCN(S(=O)(=O)c3ccc(Br)s3)C2)C1 ZINC000568113968 564405194 /nfs/dbraw/zinc/40/51/94/564405194.db2.gz FDLUNYWSGKBZLR-ZDUSSCGKSA-N 1 0 379.345 2.617 20 0 GFADRO CCN(Cc1ccccc1Br)C(=O)c1ccn(CC[NH+](C)C)n1 ZINC000568186588 564408458 /nfs/dbraw/zinc/40/84/58/564408458.db2.gz FYIUFEMTNZBDGE-UHFFFAOYSA-N 1 0 379.302 2.870 20 0 GFADRO O=C(Cc1cc(Cl)ccc1Br)NC[C@@H]1CCC[N@H+]1CCCO ZINC000452360758 564408834 /nfs/dbraw/zinc/40/88/34/564408834.db2.gz JCGKGOMYDXKJMZ-AWEZNQCLSA-N 1 0 389.721 2.608 20 0 GFADRO O=C(CCC(=O)c1cc(Cl)sc1Cl)NC[C@@H]1CCCC[N@H+]1CCO ZINC000452392202 564412503 /nfs/dbraw/zinc/41/25/03/564412503.db2.gz QVBIBBUQYYXEGL-NSHDSACASA-N 1 0 393.336 2.981 20 0 GFADRO C[C@H]([NH2+]Cc1cnn(-c2ccc(Br)cc2)c1)C1(S(C)(=O)=O)CC1 ZINC000512850861 564413479 /nfs/dbraw/zinc/41/34/79/564413479.db2.gz LQABCCLHSSBABW-LBPRGKRZSA-N 1 0 398.326 2.690 20 0 GFADRO COCC[NH+](CCOC)C1CCN(Cc2nc(C(F)(F)F)cs2)CC1 ZINC000512845789 564413731 /nfs/dbraw/zinc/41/37/31/564413731.db2.gz VECCNHYBECFICV-UHFFFAOYSA-N 1 0 381.464 2.721 20 0 GFADRO O=S(=O)(NCCC[NH2+]Cc1cccc(O)c1)c1ccccc1Br ZINC000512860908 564414483 /nfs/dbraw/zinc/41/44/83/564414483.db2.gz LFFXKXWNFACILT-UHFFFAOYSA-N 1 0 399.310 2.613 20 0 GFADRO C[C@H]1CC[C@H]([NH2+]CCCNS(=O)(=O)c2ccccc2Br)C1 ZINC000512880061 564415218 /nfs/dbraw/zinc/41/52/18/564415218.db2.gz OKGGQMBWWXQEPC-STQMWFEESA-N 1 0 375.332 2.896 20 0 GFADRO Cc1[nH]c(=O)c(Br)cc1C(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000512921188 564415853 /nfs/dbraw/zinc/41/58/53/564415853.db2.gz KSJQNTNDRAZPAW-UHFFFAOYSA-N 1 0 396.260 2.989 20 0 GFADRO CO[C@H]1CCN(C(=O)c2ccn(-c3ccc(Cl)c(Cl)c3)n2)[C@H](C[NH3+])C1 ZINC000568381279 564416512 /nfs/dbraw/zinc/41/65/12/564416512.db2.gz AAHWRKNCVRVGKU-STQMWFEESA-N 1 0 383.279 2.757 20 0 GFADRO C[C@@]1(CNC(=O)c2cc(=O)[nH]c3c(Br)cccc23)CCC[NH2+]C1 ZINC000568390081 564416748 /nfs/dbraw/zinc/41/67/48/564416748.db2.gz RSEZWVMDJBVMFR-QGZVFWFLSA-N 1 0 378.270 2.822 20 0 GFADRO CS(=O)(=O)N1CCCC[C@H]1C[NH2+]Cc1c[nH]nc1-c1cccc(Cl)c1 ZINC000512992104 564416876 /nfs/dbraw/zinc/41/68/76/564416876.db2.gz IYQGQGDIONJFOD-INIZCTEOSA-N 1 0 382.917 2.634 20 0 GFADRO NC(=O)[C@@H]([NH2+]CC[C@H]1COc2ccccc2O1)c1cccc(Br)c1 ZINC000478881279 564417315 /nfs/dbraw/zinc/41/73/15/564417315.db2.gz CTEOTEYLMXCEGS-YOEHRIQHSA-N 1 0 391.265 2.795 20 0 GFADRO Cc1ccc(Br)c(S(=O)(=O)NCC[NH2+][C@H]2CCC[C@@H]2C)c1 ZINC000513041142 564418671 /nfs/dbraw/zinc/41/86/71/564418671.db2.gz NDCCQEVAWHMNMN-JSGCOSHPSA-N 1 0 375.332 2.814 20 0 GFADRO Cc1ccc(Br)c(S(=O)(=O)NCC[NH2+][C@H]2CCCSC2)c1 ZINC000513100522 564419929 /nfs/dbraw/zinc/41/99/29/564419929.db2.gz KPIUNCLQTMFHKR-LBPRGKRZSA-N 1 0 393.372 2.521 20 0 GFADRO C[C@H](NS(=O)(=O)c1ccc(Br)o1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000545369361 564420616 /nfs/dbraw/zinc/42/06/16/564420616.db2.gz CCBOTAPTMZCZBD-RYUDHWBXSA-N 1 0 391.331 2.973 20 0 GFADRO Cc1ccc(Br)c(S(=O)(=O)NCC[NH2+]Cc2cccs2)c1 ZINC000513105768 564421243 /nfs/dbraw/zinc/42/12/43/564421243.db2.gz BHEUMKWIIGPATJ-UHFFFAOYSA-N 1 0 389.340 2.887 20 0 GFADRO CCC[N@H+](CC)CCNC(=O)C(=O)Nc1ccc(Br)cc1CC ZINC000479009810 564421357 /nfs/dbraw/zinc/42/13/57/564421357.db2.gz CMMWRIPGUOOAOS-UHFFFAOYSA-N 1 0 384.318 2.798 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)C(=O)NCC[N@@H+](C)[C@H](C)CC ZINC000479012999 564421488 /nfs/dbraw/zinc/42/14/88/564421488.db2.gz BLKLBLOHYONFSQ-GFCCVEGCSA-N 1 0 384.318 2.797 20 0 GFADRO CS(=O)(=O)N1CCC[C@H]([NH2+][C@H]2CCCc3cc(Br)ccc32)C1 ZINC000479075724 564424200 /nfs/dbraw/zinc/42/42/00/564424200.db2.gz YBLZYTYMFYJFTO-HOCLYGCPSA-N 1 0 387.343 2.840 20 0 GFADRO O=C(Nc1ncc(Cc2ccccc2Cl)s1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000479072998 564424364 /nfs/dbraw/zinc/42/43/64/564424364.db2.gz WKBIZUBFMORWER-MRXNPFEDSA-N 1 0 376.913 2.716 20 0 GFADRO NC(=O)[C@H]1CCCN1CCC[NH2+][C@H]1CCCc2cc(Br)ccc21 ZINC000479080104 564424906 /nfs/dbraw/zinc/42/49/06/564424906.db2.gz NOUJCEJDDPVROB-DLBZAZTESA-N 1 0 380.330 2.756 20 0 GFADRO CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+]C2CC(N3CCC(C(F)(F)F)CC3)C2)C1 ZINC000513347230 564427760 /nfs/dbraw/zinc/42/77/60/564427760.db2.gz GPLCBJNGFPGLHR-SLTXQBBLSA-N 1 0 382.492 2.737 20 0 GFADRO CC[C@@H](C(=O)NCc1nn(C)cc1Br)[N@H+](C)Cc1ccccc1 ZINC000452769057 564431067 /nfs/dbraw/zinc/43/10/67/564431067.db2.gz WUNALVNIJBCJPR-INIZCTEOSA-N 1 0 379.302 2.709 20 0 GFADRO O=C(NC[C@@H]1CCCC[N@H+]1CCO)c1[nH]c2ccccc2c1Br ZINC000452802550 564432454 /nfs/dbraw/zinc/43/24/54/564432454.db2.gz VHXDCXJZVDNMQA-LBPRGKRZSA-N 1 0 380.286 2.507 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)C(=O)NCC[N@@H+]1CCCC[C@@H]1C ZINC000479278847 564434609 /nfs/dbraw/zinc/43/46/09/564434609.db2.gz GNBKKNFSCPBFAW-ZDUSSCGKSA-N 1 0 396.329 2.941 20 0 GFADRO C[C@@H](Cc1ccc(Br)cc1)[NH2+]C1CCN(CCC(=O)N(C)C)CC1 ZINC000479272601 564434954 /nfs/dbraw/zinc/43/49/54/564434954.db2.gz RFLGICUUCAKQDL-HNNXBMFYSA-N 1 0 396.373 2.912 20 0 GFADRO O=C(NC[C@H]1CCCC[N@H+]1CCO)Nc1ccc(Br)c(C2CC2)n1 ZINC000568843312 564437156 /nfs/dbraw/zinc/43/71/56/564437156.db2.gz DQQMFURDMAPTRM-CYBMUJFWSA-N 1 0 397.317 2.690 20 0 GFADRO Cc1cc(C)c(S(N)(=O)=O)cc1[C@@H](C)[NH2+]CCOc1ccc(Cl)cn1 ZINC000479395037 564438776 /nfs/dbraw/zinc/43/87/76/564438776.db2.gz RZTNECKOVCAWCP-CYBMUJFWSA-N 1 0 383.901 2.729 20 0 GFADRO CC(C)[N@H+](CCC(=O)N1CCN(C)CC1)Cc1ccc(Br)cc1 ZINC000513897743 564442303 /nfs/dbraw/zinc/44/23/03/564442303.db2.gz WUKFCLJEGBKYKB-UHFFFAOYSA-N 1 0 382.346 2.824 20 0 GFADRO CC[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)N1CCC[C@H](C[NH3+])C1 ZINC000568967318 564442423 /nfs/dbraw/zinc/44/24/23/564442423.db2.gz RDGMWXXSJDRXPG-DOMZBBRYSA-N 1 0 386.323 2.628 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S(=O)(=O)CC[NH2+][C@@H](C)CC(C)C ZINC000568975796 564443521 /nfs/dbraw/zinc/44/35/21/564443521.db2.gz MFCBRIQQFVERDG-HNNXBMFYSA-N 1 0 375.556 2.668 20 0 GFADRO Brc1ccc(N2CC[NH+](CCCO[C@@H]3CCCCO3)CC2)nc1 ZINC000513962841 564443880 /nfs/dbraw/zinc/44/38/80/564443880.db2.gz GPOLGWXPNSEZSZ-QGZVFWFLSA-N 1 0 384.318 2.899 20 0 GFADRO COCC[NH2+]C1CCN(C(=O)[C@H](C)Oc2ccc(Cl)c(Cl)c2)CC1 ZINC000568996118 564444159 /nfs/dbraw/zinc/44/41/59/564444159.db2.gz WSRQUSRSIBUZTJ-LBPRGKRZSA-N 1 0 375.296 2.988 20 0 GFADRO Cc1cc(C[NH2+]CCN2C(=O)NC3(CCCC3)C2=O)sc1Br ZINC000479596535 564444466 /nfs/dbraw/zinc/44/44/66/564444466.db2.gz XPAZHTBKALLRPX-UHFFFAOYSA-N 1 0 386.315 2.773 20 0 GFADRO COCC[C@@H](Cc1cccc(Br)c1)C(=O)N[C@H](CC[NH3+])C(F)F ZINC000568999840 564444587 /nfs/dbraw/zinc/44/45/87/564444587.db2.gz VETMQUNFKVAMQV-GXTWGEPZSA-N 1 0 393.272 2.743 20 0 GFADRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)c1ccc(Cl)c(NS(C)(=O)=O)c1 ZINC000479618216 564445293 /nfs/dbraw/zinc/44/52/93/564445293.db2.gz HWOLYHUNTMWFBD-LBPRGKRZSA-N 1 0 387.933 2.514 20 0 GFADRO COC1([C@@H](C)[NH2+]C[C@H](O)COc2cccc(Cl)c2Cl)CCOCC1 ZINC000453073158 564445781 /nfs/dbraw/zinc/44/57/81/564445781.db2.gz QIPJZOLDRPLKLJ-OLZOCXBDSA-N 1 0 378.296 2.907 20 0 GFADRO COC1([C@@H](C)[NH2+]C[C@@H](O)COc2cccc(Cl)c2Cl)CCOCC1 ZINC000453073148 564445786 /nfs/dbraw/zinc/44/57/86/564445786.db2.gz QIPJZOLDRPLKLJ-CHWSQXEVSA-N 1 0 378.296 2.907 20 0 GFADRO C[C@H]([NH2+]C[C@H](O)C1CCOCC1)c1ccc(F)c(I)c1 ZINC000453133295 564447740 /nfs/dbraw/zinc/44/77/40/564447740.db2.gz AUFCWYQPVFXISO-BONVTDFDSA-N 1 0 393.240 2.868 20 0 GFADRO C[C@@H]([NH2+]C[C@]1(CCO)CCOC1)c1ccc(F)c(I)c1 ZINC000453129857 564447837 /nfs/dbraw/zinc/44/78/37/564447837.db2.gz BJUPHXHGPXXGSU-ABAIWWIYSA-N 1 0 393.240 2.870 20 0 GFADRO COc1ccc2c(c1)C[C@@H]([NH2+]CC(=O)Nc1cccc(Br)c1)CO2 ZINC000453192639 564450105 /nfs/dbraw/zinc/45/01/05/564450105.db2.gz CEXSPCRIKFWDQQ-OAHLLOKOSA-N 1 0 391.265 2.990 20 0 GFADRO CN(Cc1ccc(Br)cc1Cl)C(=O)NCCOCC[NH+](C)C ZINC000479784387 564450262 /nfs/dbraw/zinc/45/02/62/564450262.db2.gz YHYINFPRQLTEHI-UHFFFAOYSA-N 1 0 392.725 2.822 20 0 GFADRO CC[C@@H](COCC(F)(F)F)[NH2+][C@@H](C)c1cc(S(N)(=O)=O)c(C)cc1C ZINC000453258134 564450488 /nfs/dbraw/zinc/45/04/88/564450488.db2.gz ODLNRRQPBYNPAM-STQMWFEESA-N 1 0 382.448 2.959 20 0 GFADRO COCCN1CCC([NH2+]CCc2cn3cc(Br)cc(C)c3n2)CC1 ZINC000546226043 564450561 /nfs/dbraw/zinc/45/05/61/564450561.db2.gz WYMKSYFLMMJTDE-UHFFFAOYSA-N 1 0 395.345 2.648 20 0 GFADRO CO[C@@H]1COCC[C@@H]1C[NH2+][C@@H](C)c1ccccc1I ZINC000453297880 564452913 /nfs/dbraw/zinc/45/29/13/564452913.db2.gz SICIZONWBWFUCS-YWPYICTPSA-N 1 0 375.250 2.993 20 0 GFADRO CC[C@H](CNS(C)(=O)=O)[NH2+][C@H]1CCSc2ccc(Br)cc21 ZINC000453295448 564452961 /nfs/dbraw/zinc/45/29/61/564452961.db2.gz YBFUJDJYUOILQK-YPMHNXCESA-N 1 0 393.372 2.903 20 0 GFADRO C[C@@H]1CC2(CN1C(=O)c1n[nH]c3ccc(Br)cc31)CC[NH2+]CC2 ZINC000514667383 564453422 /nfs/dbraw/zinc/45/34/22/564453422.db2.gz CRBIGTFDYLUSBF-LLVKDONJSA-N 1 0 377.286 2.930 20 0 GFADRO C[C@H]1[NH2+]CC[C@@H]1C(=O)N(C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000569216754 564453621 /nfs/dbraw/zinc/45/36/21/564453621.db2.gz VUOXRIDFRGTGAK-KOLCDFICSA-N 1 0 377.794 2.754 20 0 GFADRO C[C@@H]([NH2+]C[C@@H](CO)Cc1ccc(F)c(Br)c1)c1ccc(=O)[nH]n1 ZINC000453341281 564454066 /nfs/dbraw/zinc/45/40/66/564454066.db2.gz CTTSNUQZAVJISA-PWSUYJOCSA-N 1 0 384.249 2.586 20 0 GFADRO C[C@@H]1CC[S@](=O)CCN1C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000514706803 564454873 /nfs/dbraw/zinc/45/48/73/564454873.db2.gz ONOWVEAMAIHPOP-RKPUJPDHSA-N 1 0 383.583 2.513 20 0 GFADRO C[C@H](Cc1cnn(C)c1)[NH2+][C@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000453357197 564454906 /nfs/dbraw/zinc/45/49/06/564454906.db2.gz RXAUZBSNQZJMPH-NXEZZACHSA-N 1 0 391.324 2.656 20 0 GFADRO CC[NH+](CC)CCCNC(=O)C1CCN(c2cc(Br)ccn2)CC1 ZINC000480084701 564459804 /nfs/dbraw/zinc/45/98/04/564459804.db2.gz KQIUWQKDSYZTNR-UHFFFAOYSA-N 1 0 397.361 2.909 20 0 GFADRO O=C1[C@@H]([NH2+]CC2=Cc3cc(Br)ccc3OC2)C[C@@H]2CCCCN12 ZINC000453616515 564460184 /nfs/dbraw/zinc/46/01/84/564460184.db2.gz GFPCXUJOUHSBNX-HOTGVXAUSA-N 1 0 377.282 2.968 20 0 GFADRO CC(C)[C@H](CCO)[NH2+][C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000480168339 564462336 /nfs/dbraw/zinc/46/23/36/564462336.db2.gz KOEHDTXLXANBKD-KBPBESRZSA-N 1 0 376.316 2.664 20 0 GFADRO C[C@@H](Cn1ccnc1)[NH2+][C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000480228115 564465277 /nfs/dbraw/zinc/46/52/77/564465277.db2.gz RLMMFOFDBGIMBO-FZMZJTMJSA-N 1 0 384.299 2.542 20 0 GFADRO Cc1ncc(Br)cc1NC(=O)C(=O)N(C)CC[NH+](C(C)C)C(C)C ZINC000453701566 564466259 /nfs/dbraw/zinc/46/62/59/564466259.db2.gz NZCKYMYTMBKUMV-UHFFFAOYSA-N 1 0 399.333 2.668 20 0 GFADRO O=S1(=O)CC[C@@H]([NH2+]C[C@@H]2CCN(C3CC3)C2)c2cc(Br)ccc21 ZINC000480272018 564466681 /nfs/dbraw/zinc/46/66/81/564466681.db2.gz BJJWYJDAOCFPLD-BLLLJJGKSA-N 1 0 399.354 2.742 20 0 GFADRO COc1ccc(-c2ncc(C(=O)NC[C@]3([NH+](C)C)CCSC3)s2)cc1 ZINC000480279028 564467278 /nfs/dbraw/zinc/46/72/78/564467278.db2.gz BAXGDMJWENLVQR-GOSISDBHSA-N 1 0 377.535 2.986 20 0 GFADRO C[C@@H](Oc1cccc(Br)c1)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000480290278 564467875 /nfs/dbraw/zinc/46/78/75/564467875.db2.gz XMNOIFKRPIDGTD-MLGOLLRUSA-N 1 0 387.343 2.770 20 0 GFADRO CC(C)(C)[N@@H+]1C[C@@H](C(=O)N2CCS[C@@H]3COCC[C@@H]32)[C@H](C(F)(F)F)C1 ZINC000480373688 564470389 /nfs/dbraw/zinc/47/03/89/564470389.db2.gz FEGUDYLGUAPCFX-YIYPIFLZSA-N 1 0 380.476 2.628 20 0 GFADRO CC[C@H](Cc1ccccc1Br)C(=O)N1CC[C@H](OC)C[C@@H]1C[NH3+] ZINC000515234030 564473546 /nfs/dbraw/zinc/47/35/46/564473546.db2.gz UGHOBEPDADJVOD-BMFZPTHFSA-N 1 0 383.330 2.983 20 0 GFADRO C[C@H](NCCc1ccc(S(=O)(=O)N2CCCCC2)s1)[C@@H]1CCCC[NH2+]1 ZINC000569684609 564474065 /nfs/dbraw/zinc/47/40/65/564474065.db2.gz MYMQAWUCGLZKNJ-RDJZCZTQSA-N 1 0 385.599 2.585 20 0 GFADRO C[C@H](NC(=O)N1CC[C@@H]([NH+]2CCCC2)[C@@H]1C)c1ncc(Br)cn1 ZINC000515297118 564474118 /nfs/dbraw/zinc/47/41/18/564474118.db2.gz HTAFQAGDNIGLNY-SGMGOOAPSA-N 1 0 382.306 2.568 20 0 GFADRO NC(=O)c1ncc(Br)cc1NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000480502906 564475647 /nfs/dbraw/zinc/47/56/47/564475647.db2.gz BFNFXPDZLJHOTL-AWEZNQCLSA-N 1 0 389.297 2.877 20 0 GFADRO COC(=O)c1cn([C@H]2CC[N@H+](C[C@H](C)c3cccc(Br)c3)C2)nn1 ZINC000546972598 564475788 /nfs/dbraw/zinc/47/57/88/564475788.db2.gz NHDFLSDISJIFMG-WFASDCNBSA-N 1 0 393.285 2.878 20 0 GFADRO CCSc1nnc(NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)s1 ZINC000569736164 564476154 /nfs/dbraw/zinc/47/61/54/564476154.db2.gz QQSGROXIFIPLCU-JSGCOSHPSA-N 1 0 377.539 3.435 20 0 GFADRO Cn1ccnc1Sc1ncc(C(=O)NCC2(C)CC[NH2+]CC2)cc1Cl ZINC000515351019 564476566 /nfs/dbraw/zinc/47/65/66/564476566.db2.gz AXFWNZKTSZLBON-UHFFFAOYSA-N 1 0 379.917 2.739 20 0 GFADRO CSc1ccc(N(C)S(=O)(=O)c2c(C)nn(CC[NH+](C)C)c2C)cc1 ZINC000480633868 564479754 /nfs/dbraw/zinc/47/97/54/564479754.db2.gz HDRDBIUIFPFOJA-UHFFFAOYSA-N 1 0 382.555 2.609 20 0 GFADRO O=C(NCC[NH2+]Cc1cn2ccc(Br)cc2n1)c1ccccc1F ZINC000515559013 564481821 /nfs/dbraw/zinc/48/18/21/564481821.db2.gz HFPBZEIBXLRQFH-UHFFFAOYSA-N 1 0 391.244 2.756 20 0 GFADRO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(S(=O)(=O)Cc2cc(Cl)ccc2F)CC1 ZINC000515622795 564484086 /nfs/dbraw/zinc/48/40/86/564484086.db2.gz GDCHDADMGCPLBA-IAGOWNOFSA-N 1 0 390.908 2.527 20 0 GFADRO C[N@@H+]1CC[C@@H](C(=O)NCc2cc(Br)ccc2Br)C1 ZINC000547501136 564491031 /nfs/dbraw/zinc/49/10/31/564491031.db2.gz QMSKRVCXBKFJFE-SECBINFHSA-N 1 0 376.092 2.780 20 0 GFADRO Cc1cc(S(=O)(=O)N2CCC[C@@H]([C@H](C)[NH3+])C2)c(F)cc1Br ZINC000516063184 564492248 /nfs/dbraw/zinc/49/22/48/564492248.db2.gz PFZRMMGMNBETBX-WDEREUQCSA-N 1 0 379.295 2.645 20 0 GFADRO Cc1cc(S(=O)(=O)N[C@H]2C[N@H+](C3CC3)C[C@H]2C)c(C)cc1Br ZINC000480868151 564492268 /nfs/dbraw/zinc/49/22/68/564492268.db2.gz HXKXSDGZUIJOSC-DOMZBBRYSA-N 1 0 387.343 2.827 20 0 GFADRO O[C@H](C[NH2+]Cc1ccc(I)c(Cl)c1)C(F)(F)F ZINC000516175518 564495081 /nfs/dbraw/zinc/49/50/81/564495081.db2.gz FMUSOVHVMFCXHI-SECBINFHSA-N 1 0 379.547 2.957 20 0 GFADRO COC[C@@]1(CNC(=O)N2CC[C@H](c3cccc(Br)c3)C2)CCC[NH2+]1 ZINC000570188352 564495096 /nfs/dbraw/zinc/49/50/96/564495096.db2.gz CYOAUVMPDOFTNY-YJBOKZPZSA-N 1 0 396.329 2.717 20 0 GFADRO COC[C@@]1(CNC(=O)N2CC[C@@H](c3cccc(Br)c3)C2)CCC[NH2+]1 ZINC000570188351 564495320 /nfs/dbraw/zinc/49/53/20/564495320.db2.gz CYOAUVMPDOFTNY-QAPCUYQASA-N 1 0 396.329 2.717 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)NCCCC[N@@H+](C)C2CC2)cc1Br ZINC000454101937 564497665 /nfs/dbraw/zinc/49/76/65/564497665.db2.gz LFYIIOMCBRYCCO-UHFFFAOYSA-N 1 0 396.329 2.995 20 0 GFADRO COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000454098578 564497923 /nfs/dbraw/zinc/49/79/23/564497923.db2.gz NJVSAPNYIZALQJ-LLVKDONJSA-N 1 0 388.295 2.882 20 0 GFADRO C[N@H+](CCCCNC(=O)C(=O)Nc1ccc(Br)c(F)c1)C1CC1 ZINC000454107952 564497950 /nfs/dbraw/zinc/49/79/50/564497950.db2.gz PYTRGFSOUWUULR-UHFFFAOYSA-N 1 0 386.265 2.517 20 0 GFADRO C[C@@]1(C[NH3+])CCN(S(=O)(=O)Cc2ccc(Cl)cc2Br)C1 ZINC000570279871 564499190 /nfs/dbraw/zinc/49/91/90/564499190.db2.gz PLPYGIDHQQIOLX-ZDUSSCGKSA-N 1 0 381.723 2.603 20 0 GFADRO O=S(=O)(c1ccc(C(F)(F)F)cn1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000480994518 564499619 /nfs/dbraw/zinc/49/96/19/564499619.db2.gz ZNWDDKRTHBGLDS-CYBMUJFWSA-N 1 0 377.432 2.597 20 0 GFADRO COc1ccc(Br)cc1CNC(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000570382247 564503889 /nfs/dbraw/zinc/50/38/89/564503889.db2.gz LNIWBFURMIIIIM-TYNCELHUSA-N 1 0 382.302 2.645 20 0 GFADRO O=S(=O)(c1ccc(Cl)cc1Br)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000516570587 564506062 /nfs/dbraw/zinc/50/60/62/564506062.db2.gz UZIHQEUSQIMCEP-CQSZACIVSA-N 1 0 393.734 2.867 20 0 GFADRO C[C@H]1C[C@H]([NH3+])CCN1S(=O)(=O)Cc1cc(Cl)ccc1Br ZINC000570461816 564507077 /nfs/dbraw/zinc/50/70/77/564507077.db2.gz VRWSLIZLDWTHTH-JOYOIKCWSA-N 1 0 381.723 2.744 20 0 GFADRO C[NH+](C)[C@@]1(CNC(=O)NCc2csc(Br)c2)CCSC1 ZINC000481284178 564509142 /nfs/dbraw/zinc/50/91/42/564509142.db2.gz UXAKTDFHDWIRCH-CYBMUJFWSA-N 1 0 378.361 2.747 20 0 GFADRO C[NH+](C)[C@]1(CNC(=O)NCCc2ccccc2Br)CCSC1 ZINC000481279467 564509250 /nfs/dbraw/zinc/50/92/50/564509250.db2.gz BRRDZCVUEYDGSQ-INIZCTEOSA-N 1 0 386.359 2.728 20 0 GFADRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)CNC(=O)c1ccc(Cl)cc1Cl ZINC000547749129 564509581 /nfs/dbraw/zinc/50/95/81/564509581.db2.gz WTQZPODMXBGEQE-HNNXBMFYSA-N 1 0 386.323 2.960 20 0 GFADRO C[C@H]([NH3+])C[C@H](C)NC(=O)N1CCN(C(=O)c2cccc(Cl)c2Cl)CC1 ZINC000570512488 564509615 /nfs/dbraw/zinc/50/96/15/564509615.db2.gz JWTGAXOZIJCBRT-RYUDHWBXSA-N 1 0 387.311 2.587 20 0 GFADRO C[C@@H]1[NH2+]CC[C@H]1C(=O)NCc1ccc(I)c(Cl)c1 ZINC000516767938 564511646 /nfs/dbraw/zinc/51/16/46/564511646.db2.gz CDGUTLPAFCBWDG-WCBMZHEXSA-N 1 0 378.641 2.559 20 0 GFADRO CC(C)[C@@H](CNC(=O)CSc1nncs1)[N@@H+]1CCc2ccccc2C1 ZINC000516843061 564513513 /nfs/dbraw/zinc/51/35/13/564513513.db2.gz YJMYVJVSXUUJHB-MRXNPFEDSA-N 1 0 376.551 2.829 20 0 GFADRO Cc1c(Br)cccc1CNC(=O)N(C)CCC[N@@H+](C)CCN(C)C ZINC000570643275 564515668 /nfs/dbraw/zinc/51/56/68/564515668.db2.gz RLNOYAFYKIVMCV-UHFFFAOYSA-N 1 0 399.377 2.782 20 0 GFADRO C[C@H](CN1CCCCC1)[NH2+]C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000570675713 564516034 /nfs/dbraw/zinc/51/60/34/564516034.db2.gz SQEFDRLACPVYSG-CJNGLKHVSA-N 1 0 389.309 2.792 20 0 GFADRO [NH3+][C@@H]1CCCC[C@@H]1CC(=O)NCc1cc(Br)c2c(c1)OCCO2 ZINC000516924252 564517272 /nfs/dbraw/zinc/51/72/72/564517272.db2.gz IOMCJADMXRKKAR-TZMCWYRMSA-N 1 0 383.286 2.744 20 0 GFADRO CN(Cc1ccccc1Br)C(=O)CC[NH2+]C[C@@H](O)CC(F)(F)F ZINC000570710912 564518352 /nfs/dbraw/zinc/51/83/52/564518352.db2.gz NUEDVEVWNCNLFU-LBPRGKRZSA-N 1 0 397.235 2.701 20 0 GFADRO C[C@H](CNC(=O)c1ccc(I)cn1)[N@@H+]1CCCC[C@@H]1C ZINC000454709496 564519494 /nfs/dbraw/zinc/51/94/94/564519494.db2.gz IAGUJGKNMOYVJG-NWDGAFQWSA-N 1 0 387.265 2.679 20 0 GFADRO O=C(CC[NH2+][C@@H](c1cc(F)cc(Br)c1)C1CC1)N1CCOCC1 ZINC000481732551 564521222 /nfs/dbraw/zinc/52/12/22/564521222.db2.gz XMXOISGNPVOOJB-QGZVFWFLSA-N 1 0 385.277 2.878 20 0 GFADRO O=S1(=O)CCCN1CC[NH2+][C@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000481746995 564521468 /nfs/dbraw/zinc/52/14/68/564521468.db2.gz GWYNDVCHQTXUNC-HNNXBMFYSA-N 1 0 391.306 2.664 20 0 GFADRO CCN(CCC[NH+](C)C)C(=O)C(=O)Nc1cccc(Br)c1Cl ZINC000570856716 564524027 /nfs/dbraw/zinc/52/40/27/564524027.db2.gz YWSZQDYMVVJBRX-UHFFFAOYSA-N 1 0 390.709 2.841 20 0 GFADRO C[N@H+](CCCCNC(=O)Nc1ccc(NS(C)(=O)=O)c(Cl)c1)C1CC1 ZINC000454850267 564524160 /nfs/dbraw/zinc/52/41/60/564524160.db2.gz HDDNCYCNYRTTHB-UHFFFAOYSA-N 1 0 388.921 2.707 20 0 GFADRO CC[C@@H](Cc1ccccc1Br)[N@H+](C)CCNS(=O)(=O)CC ZINC000481843164 564525248 /nfs/dbraw/zinc/52/52/48/564525248.db2.gz TVCUDTHLGPDYLT-AWEZNQCLSA-N 1 0 377.348 2.641 20 0 GFADRO C[C@@H](Cc1ccccc1C(F)(F)F)[NH2+]CCS(=O)(=O)N1CCSCC1 ZINC000481930041 564528039 /nfs/dbraw/zinc/52/80/39/564528039.db2.gz YQCUHNKMEHKIOW-ZDUSSCGKSA-N 1 0 396.500 2.605 20 0 GFADRO CC[C@H](N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000481920326 564528253 /nfs/dbraw/zinc/52/82/53/564528253.db2.gz UWMHDOCAZUDFJU-GVDBMIGSSA-N 1 0 385.961 2.916 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H](CNS(=O)(=O)c2cccc(Br)c2Cl)C1 ZINC000517235403 564528956 /nfs/dbraw/zinc/52/89/56/564528956.db2.gz KJQKDAWXLFAHFI-NXEZZACHSA-N 1 0 381.723 2.898 20 0 GFADRO CC[NH+](CC)C[C@@H](C)Nc1cnn(-c2ccccn2)c(=O)c1Br ZINC000517248250 564529000 /nfs/dbraw/zinc/52/90/00/564529000.db2.gz DSMATBKGFGVIBD-GFCCVEGCSA-N 1 0 380.290 2.532 20 0 GFADRO C[C@H]1C[C@H](C[NH3+])CN1S(=O)(=O)Cc1ccc(Cl)cc1Br ZINC000517235193 564529153 /nfs/dbraw/zinc/52/91/53/564529153.db2.gz FYZBPKJLYANVCG-VHSXEESVSA-N 1 0 381.723 2.601 20 0 GFADRO Cc1nc(CSc2ccc(C(=O)NC[C@@H]3C[NH2+]CCCO3)cc2)cs1 ZINC000517369904 564532028 /nfs/dbraw/zinc/53/20/28/564532028.db2.gz PJXNYPOZWKBSBW-INIZCTEOSA-N 1 0 377.535 2.852 20 0 GFADRO C[C@H](NC(=O)NCC[N@@H+]1CCCOCC1)c1ccc(F)c(Br)c1 ZINC000455003293 564532159 /nfs/dbraw/zinc/53/21/59/564532159.db2.gz NYRMGEVJWGJVNC-LBPRGKRZSA-N 1 0 388.281 2.671 20 0 GFADRO O=S1(=O)CC[C@H]([NH2+][C@H]2CCc3c[nH]nc3C2)c2cc(Br)ccc21 ZINC000548154471 564532740 /nfs/dbraw/zinc/53/27/40/564532740.db2.gz HVOLVTGCCDKJKZ-JSGCOSHPSA-N 1 0 396.310 2.538 20 0 GFADRO CN(C)C(=O)C[C@H]([NH2+]CC(=O)NCc1ccc(Cl)s1)c1ccccc1 ZINC000571073100 564534334 /nfs/dbraw/zinc/53/43/34/564534334.db2.gz WHIUSHHECVWFOW-HNNXBMFYSA-N 1 0 379.913 2.827 20 0 GFADRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)COc2ccccc2Br)C1 ZINC000482177056 564536501 /nfs/dbraw/zinc/53/65/01/564536501.db2.gz FPONUPPSWYQPKZ-OAHLLOKOSA-N 1 0 399.329 2.787 20 0 GFADRO Cc1cc(CCC(=O)NCCC[N@@H+](C)CCN(C)C)ccc1Br ZINC000571202152 564539830 /nfs/dbraw/zinc/53/98/30/564539830.db2.gz UPKGSSSSHIJINT-UHFFFAOYSA-N 1 0 384.362 2.690 20 0 GFADRO COCCN(CC[NH+](C)C)C(=O)Nc1cc(Br)cc2nc(C)oc21 ZINC000455170991 564540531 /nfs/dbraw/zinc/54/05/31/564540531.db2.gz UPPFCVLJGINMHP-UHFFFAOYSA-N 1 0 399.289 2.941 20 0 GFADRO C[C@@H](CNC(=O)Nc1ccnn1Cc1ccccc1Br)[NH+](C)C ZINC000455195398 564541809 /nfs/dbraw/zinc/54/18/09/564541809.db2.gz FEYDSOXWBZYVSW-LBPRGKRZSA-N 1 0 380.290 2.766 20 0 GFADRO Cc1nc(CNC(=O)N(C)CC2CC[NH+](C)CC2)sc1Br ZINC000455223892 564543227 /nfs/dbraw/zinc/54/32/27/564543227.db2.gz DCMNZHNSMISNQP-UHFFFAOYSA-N 1 0 375.336 2.697 20 0 GFADRO Cc1[nH]c(=O)sc1S(=O)(=O)NCC[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC000482504804 564543564 /nfs/dbraw/zinc/54/35/64/564543564.db2.gz FDOUXXKOSLDHJJ-UHFFFAOYSA-N 1 0 383.539 2.523 20 0 GFADRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)CCc1ccc(Br)cc1 ZINC000482510523 564544676 /nfs/dbraw/zinc/54/46/76/564544676.db2.gz RDRLWDHWWIWBEH-QGZVFWFLSA-N 1 0 383.330 2.951 20 0 GFADRO CC[NH+]1CCN(CC(C)(C)NC(=O)Nc2ncc(C(F)(F)F)s2)CC1 ZINC000455242425 564544837 /nfs/dbraw/zinc/54/48/37/564544837.db2.gz LDXHUKLQUAOZSK-UHFFFAOYSA-N 1 0 379.452 2.700 20 0 GFADRO COc1cc(F)cc(C[NH2+][C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)c1 ZINC000518080460 564545842 /nfs/dbraw/zinc/54/58/42/564545842.db2.gz HTDDVFRFHLLMHC-OAHLLOKOSA-N 1 0 384.498 2.839 20 0 GFADRO CCN(CC)S(=O)(=O)CC[NH2+][C@@H](C)c1ccc(OCC(F)(F)F)cc1 ZINC000482624628 564546310 /nfs/dbraw/zinc/54/63/10/564546310.db2.gz AGZCPIIWTLOBTJ-ZDUSSCGKSA-N 1 0 382.448 2.950 20 0 GFADRO O[C@@H]([C@H]1CCCN1Cc1cn2ccc(Br)cc2n1)C(F)(F)F ZINC000518152966 564547026 /nfs/dbraw/zinc/54/70/26/564547026.db2.gz TZAMBNVSDKNLNE-YPMHNXCESA-N 1 0 378.192 2.984 20 0 GFADRO C[C@@H]1COCCN1CC[NH2+]Cc1cc(Br)ccc1OC(F)F ZINC000518275795 564549559 /nfs/dbraw/zinc/54/95/59/564549559.db2.gz PWTNANUQVZPOGC-LLVKDONJSA-N 1 0 379.245 2.861 20 0 GFADRO C[C@H](CCCCO)[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000571403612 564549968 /nfs/dbraw/zinc/54/99/68/564549968.db2.gz MFHZQIBDYOSGMK-DGCLKSJQSA-N 1 0 380.710 2.983 20 0 GFADRO CC(C)[NH2+]CCCNC(=O)c1nn(-c2ccc(F)cc2)cc1Br ZINC000518371788 564551168 /nfs/dbraw/zinc/55/11/68/564551168.db2.gz JOUOPUJUUOFPCF-UHFFFAOYSA-N 1 0 383.265 2.892 20 0 GFADRO Cc1nc(NC(=O)[C@H]2C[NH2+]Cc3ccccc32)ccc1I ZINC000571439819 564552033 /nfs/dbraw/zinc/55/20/33/564552033.db2.gz TWXDSVJPKNCKRY-ZDUSSCGKSA-N 1 0 393.228 2.820 20 0 GFADRO C[C@H]1CN(CCO)CCN1C(=O)Nc1cc(F)c(Br)c(Cl)c1 ZINC000455426992 564553873 /nfs/dbraw/zinc/55/38/73/564553873.db2.gz FCGVRQVYIFHSNG-VIFPVBQESA-N 1 0 394.672 2.772 20 0 GFADRO O=S(=O)(c1ccc(F)c(Br)c1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000571523576 564555739 /nfs/dbraw/zinc/55/57/39/564555739.db2.gz MSYGRQMDMWBPNO-LBPRGKRZSA-N 1 0 391.306 2.598 20 0 GFADRO Cc1csc(C(=O)N2CCC[C@@H]([C@H](C)[NH3+])C2)c1I ZINC000571558353 564556836 /nfs/dbraw/zinc/55/68/36/564556836.db2.gz VZFUXOQBVRGIHQ-VHSXEESVSA-N 1 0 378.279 2.861 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)Cc2ncc(I)s2)[C@H](C)C1 ZINC000518617437 564557593 /nfs/dbraw/zinc/55/75/93/564557593.db2.gz PBGWGAQSGOUHDS-GHMZBOCLSA-N 1 0 379.311 2.910 20 0 GFADRO CCCC[C@@](C)([NH2+]CCN1C(=O)CNC1=O)c1cccc(Br)c1 ZINC000483061827 564557962 /nfs/dbraw/zinc/55/79/62/564557962.db2.gz SJRCKWKZNIAKHJ-QGZVFWFLSA-N 1 0 382.302 2.996 20 0 GFADRO COc1nc(N2CC[NH+](CC3(OC)CCCCC3)CC2)ncc1Br ZINC000483295977 564563911 /nfs/dbraw/zinc/56/39/11/564563911.db2.gz QMRAUWXYOINTNL-UHFFFAOYSA-N 1 0 399.333 2.719 20 0 GFADRO CC(C)[NH2+]CCCNC(=O)N1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000518941618 564565267 /nfs/dbraw/zinc/56/52/67/564565267.db2.gz OFBAGTKBZZPTJG-MRXNPFEDSA-N 1 0 384.318 2.920 20 0 GFADRO CCCOC[C@H](Cc1cccc(Br)c1)NC(=O)NCC[NH+]1CCC1 ZINC000483380324 564566428 /nfs/dbraw/zinc/56/64/28/564566428.db2.gz UKLMDOFAGXPBAP-KRWDZBQOSA-N 1 0 398.345 2.792 20 0 GFADRO C[C@@H](c1ccccc1Br)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000483488408 564568963 /nfs/dbraw/zinc/56/89/63/564568963.db2.gz YBHRDFXZDCZOAA-WMLDXEAASA-N 1 0 380.330 2.749 20 0 GFADRO O=C(NCCCC[NH+]1CCN(c2ncccn2)CC1)c1ccc(Cl)s1 ZINC000519122656 564570077 /nfs/dbraw/zinc/57/00/77/564570077.db2.gz QRIOCVBXHMXSMV-UHFFFAOYSA-N 1 0 379.917 2.524 20 0 GFADRO OC[C@@H]([NH2+]Cc1ccc(OC(F)F)c(Br)c1)C1CCOCC1 ZINC000571915332 564572786 /nfs/dbraw/zinc/57/27/86/564572786.db2.gz ZBVMKKUYPTUURN-CYBMUJFWSA-N 1 0 380.229 2.928 20 0 GFADRO CO[C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000483693453 564572853 /nfs/dbraw/zinc/57/28/53/564572853.db2.gz ATDOVAGBLXQFMS-NUEKZKHPSA-N 1 0 376.266 2.875 20 0 GFADRO C[N@H+](CCc1cccc(Br)c1)CC(=O)NC(=O)NC1CCCC1 ZINC000519252808 564572980 /nfs/dbraw/zinc/57/29/80/564572980.db2.gz LMKWEHYSEOWKTE-UHFFFAOYSA-N 1 0 382.302 2.692 20 0 GFADRO C[C@H](CNC(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1)Oc1ccccc1Br ZINC000483791498 564574880 /nfs/dbraw/zinc/57/48/80/564574880.db2.gz SXWCEQHXDJWRIG-MJBXVCDLSA-N 1 0 384.318 2.998 20 0 GFADRO C[N@@H+]1CC[C@@H](C(=O)NC2(Cc3ccc(F)cc3Br)CCOCC2)C1 ZINC000548811272 564575704 /nfs/dbraw/zinc/57/57/04/564575704.db2.gz AQKAMPGWZGVTIL-CQSZACIVSA-N 1 0 399.304 2.748 20 0 GFADRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)c1ccc(Cl)c(NS(C)(=O)=O)c1 ZINC000519359459 564576185 /nfs/dbraw/zinc/57/61/85/564576185.db2.gz WZMASEIGLWLAHZ-CHWSQXEVSA-N 1 0 387.933 2.704 20 0 GFADRO CC(C)[NH+]1CCC(NC(=O)NCC(=O)Nc2cccc(Br)c2)CC1 ZINC000483875714 564576321 /nfs/dbraw/zinc/57/63/21/564576321.db2.gz HAOBIOKRPJJKBM-UHFFFAOYSA-N 1 0 397.317 2.560 20 0 GFADRO CC[N@H+](CCNC(=O)C(=O)Nc1cccc(Cl)c1Br)C(C)C ZINC000483897483 564577248 /nfs/dbraw/zinc/57/72/48/564577248.db2.gz LGIUOOZQFHMDST-UHFFFAOYSA-N 1 0 390.709 2.888 20 0 GFADRO O=C(NCc1cnc(-c2ccc(Cl)cc2)s1)NC[C@@H]1C[NH2+]CCCO1 ZINC000572015467 564577393 /nfs/dbraw/zinc/57/73/93/564577393.db2.gz MNPHYNYKXCAIFS-AWEZNQCLSA-N 1 0 380.901 2.641 20 0 GFADRO C[NH+](C)CCOCCNC(=O)Nc1cccc2c(Br)ccnc12 ZINC000455868323 564577964 /nfs/dbraw/zinc/57/79/64/564577964.db2.gz CGLFHHGYIRXAHF-UHFFFAOYSA-N 1 0 381.274 2.697 20 0 GFADRO CCCSc1nsc(NC(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)n1 ZINC000548881984 564580352 /nfs/dbraw/zinc/58/03/52/564580352.db2.gz AIJSOLJYHQKCRW-ZDUSSCGKSA-N 1 0 385.559 2.616 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)[C@H]2CCCN2C(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000484087299 564581511 /nfs/dbraw/zinc/58/15/11/564581511.db2.gz HOFUXXCNAGDBRP-NORZTCDRSA-N 1 0 384.307 2.794 20 0 GFADRO CC[N@H+](CCC1CCN(c2nc(C)c(S(N)(=O)=O)s2)CC1)CC(C)C ZINC000548988220 564582913 /nfs/dbraw/zinc/58/29/13/564582913.db2.gz XHOZAZWHGNDTAQ-UHFFFAOYSA-N 1 0 388.603 2.683 20 0 GFADRO O=C(CCC1CC[NH2+]CC1)NCc1noc(-c2cccc(Br)c2)n1 ZINC000572155842 564583587 /nfs/dbraw/zinc/58/35/87/564583587.db2.gz VLKRAQNKFVVZGV-UHFFFAOYSA-N 1 0 393.285 2.895 20 0 GFADRO COc1cc(OC)c(NC(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1Br ZINC000519630597 564584238 /nfs/dbraw/zinc/58/42/38/564584238.db2.gz VSVSCFHHABZQNQ-IJLUTSLNSA-N 1 0 398.301 2.976 20 0 GFADRO CNC(=O)Cc1noc(CN[C@](C)(c2ccc(Br)cc2)C(C)C)n1 ZINC000484335958 564586655 /nfs/dbraw/zinc/58/66/55/564586655.db2.gz YZRNSCMUXGJOII-KRWDZBQOSA-N 1 0 395.301 2.782 20 0 GFADRO C[C@@H](Cc1ccc(F)c(Br)c1)C(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000519718523 564588105 /nfs/dbraw/zinc/58/81/05/564588105.db2.gz ZPPKSEPWDCMNNM-ZANVPECISA-N 1 0 379.220 2.880 20 0 GFADRO CC1(C)CC[N@H+](CC(=O)NCc2nc(-c3cccc(Br)c3)no2)C1 ZINC000572302681 564588763 /nfs/dbraw/zinc/58/87/63/564588763.db2.gz MIMYXRUCBUJWHB-UHFFFAOYSA-N 1 0 393.285 2.847 20 0 GFADRO C[C@@H]1C[N@H+](C)CCN1c1ccc(Br)cc1NC(=O)c1cc[nH]n1 ZINC000519806206 564591448 /nfs/dbraw/zinc/59/14/48/564591448.db2.gz INYNGYUEQSNSDS-LLVKDONJSA-N 1 0 378.274 2.565 20 0 GFADRO C[NH+](C)CCCC(C)(C)NC(=O)c1cc2c(cc1Br)NC(=O)CO2 ZINC000456177582 564591913 /nfs/dbraw/zinc/59/19/13/564591913.db2.gz YLWHISYFDISSKP-UHFFFAOYSA-N 1 0 398.301 2.630 20 0 GFADRO CCO[C@@H]1COCC[C@@H]1[NH2+][C@@H](C)C(=O)Nc1ccc(C)cc1Br ZINC000484654739 564593590 /nfs/dbraw/zinc/59/35/90/564593590.db2.gz ROVNVDKORGNCQU-VBNZEHGJSA-N 1 0 385.302 2.868 20 0 GFADRO CCO[C@@H]1COCC[C@H]1[NH2+]CC(=O)N[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000484639936 564593649 /nfs/dbraw/zinc/59/36/49/564593649.db2.gz GTWPDRDOIGVTSR-HFBAOOFYSA-N 1 0 375.296 2.954 20 0 GFADRO C[C@@H]1CN(C(=O)Cc2cc(Cl)ccc2Br)C[C@H](C)[N@H+]1CCO ZINC000456205091 564594460 /nfs/dbraw/zinc/59/44/60/564594460.db2.gz BCHSJAOCZGYYQR-TXEJJXNPSA-N 1 0 389.721 2.559 20 0 GFADRO O=C(NC[C@H]1C[NH2+]CCCO1)N1CCC[C@@H]1c1ccc(Br)s1 ZINC000572586742 564600412 /nfs/dbraw/zinc/60/04/12/564600412.db2.gz MFHQHTOWDMYICY-VXGBXAGGSA-N 1 0 388.331 2.736 20 0 GFADRO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)Nc1ccc(-c2ccc(Cl)s2)nc1 ZINC000549609324 564600434 /nfs/dbraw/zinc/60/04/34/564600434.db2.gz JNJZTNZVXWZTFF-NSHDSACASA-N 1 0 380.901 2.858 20 0 GFADRO C[C@H](CN1CCCCC1)[NH2+]CCS(=O)(=O)c1cccc(Br)c1 ZINC000572595118 564601482 /nfs/dbraw/zinc/60/14/82/564601482.db2.gz UFTAXIXVJQGCOQ-CQSZACIVSA-N 1 0 389.359 2.687 20 0 GFADRO COC[C@H](C)C(=O)Nc1cc(Br)ccc1N1CC[N@H+](C)C[C@H]1C ZINC000456379585 564604605 /nfs/dbraw/zinc/60/46/05/564604605.db2.gz VPCPHPQBSYEIMU-QWHCGFSZSA-N 1 0 384.318 2.810 20 0 GFADRO O=C(NCC[C@H]1CCC[NH2+]1)N1CCO[C@H](c2cccc(Br)c2)C1 ZINC000572739916 564608023 /nfs/dbraw/zinc/60/80/23/564608023.db2.gz QIJJUJFITRJDRD-CVEARBPZSA-N 1 0 382.302 2.674 20 0 GFADRO O=C(NCC1CC[NH2+]CC1)Nc1ccc(I)cc1F ZINC000572737325 564608259 /nfs/dbraw/zinc/60/82/59/564608259.db2.gz XERXTRDGMRGAQX-UHFFFAOYSA-N 1 0 377.201 2.551 20 0 GFADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)c1cc(Br)cc2ccccc21 ZINC000520717680 564611108 /nfs/dbraw/zinc/61/11/08/564611108.db2.gz KRAKLBAUUGOUJC-AWEZNQCLSA-N 1 0 390.325 2.968 20 0 GFADRO C[C@H](CNC(=O)N[C@@H](C)c1ncc(Br)cn1)[N@@H+]1CCCC[C@@H]1C ZINC000572819426 564611871 /nfs/dbraw/zinc/61/18/71/564611871.db2.gz YLKUTJUQLGOPOY-XQQFMLRXSA-N 1 0 384.322 2.862 20 0 GFADRO COC[C@]1(CNC(=O)CCCCOc2ccc(Br)cc2)CCC[NH2+]1 ZINC000572833713 564612196 /nfs/dbraw/zinc/61/21/96/564612196.db2.gz GKMVOZRUASTQST-GOSISDBHSA-N 1 0 399.329 2.883 20 0 GFADRO O=C(Nc1ccc(F)cc1Br)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000520781406 564612751 /nfs/dbraw/zinc/61/27/51/564612751.db2.gz ORQSBEFTRMNISS-ZDUSSCGKSA-N 1 0 398.276 2.614 20 0 GFADRO O=S(=O)(c1ccc2ccccc2c1Br)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000572841820 564613065 /nfs/dbraw/zinc/61/30/65/564613065.db2.gz FEUDKQSIFGDOPC-KBPBESRZSA-N 1 0 395.322 2.832 20 0 GFADRO CCC[C@@H](C(=O)NC[C@H](CO)Cc1cc(Br)ccc1F)[NH+](C)C ZINC000456497209 564613566 /nfs/dbraw/zinc/61/35/66/564613566.db2.gz YQCPNVKLOYJMEW-WBMJQRKESA-N 1 0 389.309 2.586 20 0 GFADRO CSc1ccc(OC[C@H](O)C[NH2+]Cc2cn(C)nc2C(F)(F)F)cc1 ZINC000520798160 564614171 /nfs/dbraw/zinc/61/41/71/564614171.db2.gz PWFKQGJDSPAVCO-GFCCVEGCSA-N 1 0 375.416 2.690 20 0 GFADRO O=C(NCc1cc(Br)cc2c1OCC2)C1CC[NH+](C2CC2)CC1 ZINC000572902484 564615402 /nfs/dbraw/zinc/61/54/02/564615402.db2.gz DLLCQQWSLIBBCT-UHFFFAOYSA-N 1 0 379.298 2.875 20 0 GFADRO C[NH+](C)[C@@]1(CNC(=O)Cc2ccc(F)cc2Br)CCSC1 ZINC000485462235 564616053 /nfs/dbraw/zinc/61/60/53/564616053.db2.gz INIKTGCTCWMQKP-OAHLLOKOSA-N 1 0 375.307 2.684 20 0 GFADRO C[NH+](C)CCOC1CCN(C(=O)Cc2ccc(F)cc2Br)CC1 ZINC000485475023 564616518 /nfs/dbraw/zinc/61/65/18/564616518.db2.gz MACOUIFMAZTDCC-UHFFFAOYSA-N 1 0 387.293 2.700 20 0 GFADRO CO[C@H]1CCN(C(=O)CCCc2ccc(Br)s2)[C@@H](C[NH3+])C1 ZINC000572952343 564616632 /nfs/dbraw/zinc/61/66/32/564616632.db2.gz HNUZQLMHHMNBBK-NEPJUHHUSA-N 1 0 375.332 2.798 20 0 GFADRO Brc1cccc(-c2noc(-c3cn(C[C@@H]4CCC[NH2+]4)nn3)n2)c1 ZINC000572955301 564617193 /nfs/dbraw/zinc/61/71/93/564617193.db2.gz VWKAPRGHERAVGU-LBPRGKRZSA-N 1 0 375.230 2.510 20 0 GFADRO CC[C@@H](C)[NH+]1CCN(C(=O)[C@H](C)NC(=O)c2ccc(Br)cc2)CC1 ZINC000456563145 564617285 /nfs/dbraw/zinc/61/72/85/564617285.db2.gz WIYJQOWKTGLSRH-KGLIPLIRSA-N 1 0 396.329 2.510 20 0 GFADRO CCN(CC)S(=O)(=O)c1cc(NC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)ccc1Cl ZINC000485546410 564619476 /nfs/dbraw/zinc/61/94/76/564619476.db2.gz NVBMLHVXNKNACS-GXTWGEPZSA-N 1 0 387.933 2.507 20 0 GFADRO C[C@@H](CNC(=O)C(=O)NCc1ccc(Cl)cc1Cl)C[NH+]1CCCCC1 ZINC000550303202 564619867 /nfs/dbraw/zinc/61/98/67/564619867.db2.gz SBQXUAIAWJFZDK-ZDUSSCGKSA-N 1 0 386.323 2.848 20 0 GFADRO CCc1sc(C(=O)NC[C@@H]2CCC[N@@H+]2CCOC)cc1Br ZINC000550313950 564619915 /nfs/dbraw/zinc/61/99/15/564619915.db2.gz QRNURPQTHMCNDR-NSHDSACASA-N 1 0 375.332 2.914 20 0 GFADRO CC1CC[NH+](C[C@@H]2CCCN(C(=O)c3nn(C)cc3Br)C2)CC1 ZINC000550304030 564620196 /nfs/dbraw/zinc/62/01/96/564620196.db2.gz QSIJJJNUWCLIAO-AWEZNQCLSA-N 1 0 383.334 2.767 20 0 GFADRO O=C(C[N@H+]1CCCC[C@@H]1[C@@H]1CCC[C@H]1O)Nc1ccc(Br)cn1 ZINC000573060095 564621045 /nfs/dbraw/zinc/62/10/45/564621045.db2.gz NLKSEJAYYMXSPO-RRFJBIMHSA-N 1 0 382.302 2.798 20 0 GFADRO COCCN1CC[C@H]([NH2+]Cc2cc(Br)ccc2OC(F)F)C1 ZINC000521337926 564624888 /nfs/dbraw/zinc/62/48/88/564624888.db2.gz QCTBZOIMRXDMLC-ZDUSSCGKSA-N 1 0 379.245 2.861 20 0 GFADRO Cc1nc2cc(Cl)c(NC(=O)C(=O)NC[C@@H](C)[NH+]3CCCC3)cc2s1 ZINC000521387290 564626195 /nfs/dbraw/zinc/62/61/95/564626195.db2.gz WSPUWJMSJAZOLT-SNVBAGLBSA-N 1 0 380.901 2.797 20 0 GFADRO C[C@]1(F)C[NH2+]CCN(Cc2ncc(Br)cc2Br)C1 ZINC000573206889 564628017 /nfs/dbraw/zinc/62/80/17/564628017.db2.gz SBZAEHJUIOCJMG-LBPRGKRZSA-N 1 0 381.087 2.740 20 0 GFADRO CC[NH+](CC)CCN(CCOC)C(=O)c1ccc(OC)c(Br)c1 ZINC000521487571 564628842 /nfs/dbraw/zinc/62/88/42/564628842.db2.gz VSIVZCKGAQGCAD-UHFFFAOYSA-N 1 0 387.318 2.888 20 0 GFADRO Cc1nnc2n1C[C@@H](C[NH2+]CCC(=O)Nc1ccc(Br)cc1)CC2 ZINC000573234056 564629334 /nfs/dbraw/zinc/62/93/34/564629334.db2.gz BIUWBYABYTZWBM-CYBMUJFWSA-N 1 0 392.301 2.530 20 0 GFADRO Cc1nnc2n1C[C@H](C[NH2+]CCC(=O)Nc1ccc(Br)cc1)CC2 ZINC000573234057 564629422 /nfs/dbraw/zinc/62/94/22/564629422.db2.gz BIUWBYABYTZWBM-ZDUSSCGKSA-N 1 0 392.301 2.530 20 0 GFADRO [NH3+][C@@H]1CCc2ncc(NC(=O)NCc3cccc(Br)c3)cc2C1 ZINC000521585792 564631438 /nfs/dbraw/zinc/63/14/38/564631438.db2.gz XAUAWFWFIFPMJZ-CQSZACIVSA-N 1 0 375.270 2.982 20 0 GFADRO Cc1c(Br)cccc1C[C@H](CO)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC000456736596 564631781 /nfs/dbraw/zinc/63/17/81/564631781.db2.gz XDZNCGKWHJZCDM-WMLDXEAASA-N 1 0 385.346 2.611 20 0 GFADRO O=C(CN1CCC(CO)([NH2+]CC2CC2)CC1)Nc1cccc(Cl)c1Cl ZINC000573376477 564635881 /nfs/dbraw/zinc/63/58/81/564635881.db2.gz SBUVNSFOCRMRIU-UHFFFAOYSA-N 1 0 386.323 2.758 20 0 GFADRO CC[NH+]1CCN(CC(C)(C)NC(=O)c2cc(Br)cn2C(C)C)CC1 ZINC000456876801 564636516 /nfs/dbraw/zinc/63/65/16/564636516.db2.gz BFWJHSYUWGQWLO-UHFFFAOYSA-N 1 0 399.377 2.977 20 0 GFADRO CC[NH+]1CCN(CC(C)(C)NC(=O)c2cccc(Br)c2F)CC1 ZINC000456887365 564637303 /nfs/dbraw/zinc/63/73/03/564637303.db2.gz VMHMLNRVFGJLTH-UHFFFAOYSA-N 1 0 386.309 2.734 20 0 GFADRO COc1ccc(I)c(NC(=O)N2CCC[C@@H](C[NH3+])C2)c1 ZINC000573426212 564637740 /nfs/dbraw/zinc/63/77/40/564637740.db2.gz IXCHGHNYQUHISM-JTQLQIEISA-N 1 0 389.237 2.502 20 0 GFADRO FC(F)(F)c1ccc(Br)c(C[NH2+][C@H]2CCc3nnnn3CC2)c1 ZINC000573435326 564637816 /nfs/dbraw/zinc/63/78/16/564637816.db2.gz MDTHXFSEDNFLPL-NSHDSACASA-N 1 0 390.207 2.949 20 0 GFADRO CC[NH+]1CCN(CC(C)(C)NC(=O)COc2ccc(Cl)cc2Cl)CC1 ZINC000456897833 564637960 /nfs/dbraw/zinc/63/79/60/564637960.db2.gz KMWLGMGMTQXUAQ-UHFFFAOYSA-N 1 0 388.339 2.905 20 0 GFADRO CC[NH+]1CCN(CC(C)(C)NC(=O)Cc2cccc(Br)c2)CC1 ZINC000456904787 564639010 /nfs/dbraw/zinc/63/90/10/564639010.db2.gz SPUSLAQCXZMZHT-UHFFFAOYSA-N 1 0 382.346 2.524 20 0 GFADRO C[C@H](NC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1cccc(Cl)c1Cl ZINC000551139636 564639226 /nfs/dbraw/zinc/63/92/26/564639226.db2.gz FDLWHJCLQBMKQV-NILFDRSVSA-N 1 0 384.307 2.914 20 0 GFADRO CN(Cc1c(Cl)cccc1Cl)C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000551138004 564639277 /nfs/dbraw/zinc/63/92/77/564639277.db2.gz HUPKPSQRBLWJNH-CVEARBPZSA-N 1 0 384.307 2.695 20 0 GFADRO COc1cc(Br)c(C[NH2+][C@@H](C2CC2)[C@@]2(CO)CCCO2)cc1O ZINC000573467400 564639428 /nfs/dbraw/zinc/63/94/28/564639428.db2.gz WVDZBZNNHQSSDR-IRXDYDNUSA-N 1 0 386.286 2.573 20 0 GFADRO O=S1(=O)CCCN1CC[NH2+][C@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000521988220 564640784 /nfs/dbraw/zinc/64/07/84/564640784.db2.gz KXLKKCYNILKCAN-HOTGVXAUSA-N 1 0 376.444 2.967 20 0 GFADRO CC[N@@H+]1CCCC[C@@H]1CNS(=O)(=O)N(C)Cc1c(F)cccc1Cl ZINC000522053540 564643434 /nfs/dbraw/zinc/64/34/34/564643434.db2.gz AGZFAPIBWXUPCD-CYBMUJFWSA-N 1 0 377.913 2.620 20 0 GFADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)c1cc(Br)cc2ccccc21 ZINC000522065891 564643509 /nfs/dbraw/zinc/64/35/09/564643509.db2.gz FYZIBPSLMQWUSL-HNNXBMFYSA-N 1 0 376.298 2.578 20 0 GFADRO CC(C)(C[NH+]1CCCC1)NC(=O)Cc1cc2c(cc1Br)OCCO2 ZINC000457042315 564644161 /nfs/dbraw/zinc/64/41/61/564644161.db2.gz VZVJDRZJKSCKTM-UHFFFAOYSA-N 1 0 397.313 2.753 20 0 GFADRO CC(C)(C[NH+]1CCCC1)NC(=O)[C@@H]1CC(=O)Nc2ccc(Br)cc21 ZINC000457053187 564644930 /nfs/dbraw/zinc/64/49/30/564644930.db2.gz OXBYTFFQUKOFRR-CQSZACIVSA-N 1 0 394.313 2.866 20 0 GFADRO CN(C(=O)NCCC1=CC[NH2+]CC1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000573584159 564645367 /nfs/dbraw/zinc/64/53/67/564645367.db2.gz WXSPDQVOOBDNDB-DLBZAZTESA-N 1 0 384.307 2.903 20 0 GFADRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)CCCS(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000457094058 564646768 /nfs/dbraw/zinc/64/67/68/564646768.db2.gz OOQLHBIGXNZJCF-MRXNPFEDSA-N 1 0 386.945 2.835 20 0 GFADRO COc1cc(C[NH2+]C[C@]2(C)CCOC2)cc(I)c1OC ZINC000522212628 564647426 /nfs/dbraw/zinc/64/74/26/564647426.db2.gz AAHXHKIKDAQJBR-HNNXBMFYSA-N 1 0 391.249 2.825 20 0 GFADRO Cc1c(Br)cccc1CNC(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000573623732 564647357 /nfs/dbraw/zinc/64/73/57/564647357.db2.gz ORXDFYCOEGRHNF-UHFFFAOYSA-N 1 0 396.329 2.764 20 0 GFADRO COc1ccc([C@H](C)[NH2+]C[C@@H]2CCCCN2S(=O)(=O)N(C)C)cc1Cl ZINC000573642843 564648064 /nfs/dbraw/zinc/64/80/64/564648064.db2.gz ZPRARZDKQQWJOR-ZFWWWQNUSA-N 1 0 389.949 2.660 20 0 GFADRO OCC1([NH2+]Cc2cc(Br)c3c(c2)OCCO3)Cc2ccccc2C1 ZINC000573671065 564648696 /nfs/dbraw/zinc/64/86/96/564648696.db2.gz VGAHAAYIQGFNLQ-UHFFFAOYSA-N 1 0 390.277 2.840 20 0 GFADRO Cc1cc(Br)cc(NC(=O)NC[C@H](O)C[NH+]2CCC(C)CC2)c1 ZINC000486322950 564648810 /nfs/dbraw/zinc/64/88/10/564648810.db2.gz ILRPVAWDOWYWAX-INIZCTEOSA-N 1 0 384.318 2.972 20 0 GFADRO COCC[C@H]([NH2+]CCCS(=O)(=O)N(C)C)c1ccc(Cl)c(Cl)c1 ZINC000551422403 564649123 /nfs/dbraw/zinc/64/91/23/564649123.db2.gz DOUJHWXCXCEGDH-HNNXBMFYSA-N 1 0 383.341 2.942 20 0 GFADRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)c2cc(F)ccc2I)C1 ZINC000457132350 564649476 /nfs/dbraw/zinc/64/94/76/564649476.db2.gz URSAVVUNWYAKRE-LBPRGKRZSA-N 1 0 390.240 2.985 20 0 GFADRO C[N@H+](CCCCNC(=O)c1ccc(I)c(O)c1)C1CC1 ZINC000457167996 564650126 /nfs/dbraw/zinc/65/01/26/564650126.db2.gz MWULQIWSCCFSAF-UHFFFAOYSA-N 1 0 388.249 2.601 20 0 GFADRO CC[N@@H+]1C[C@H](C)N(C(=O)[C@H]2CC(=O)Nc3ccc(Br)cc32)C[C@@H]1C ZINC000486451713 564652182 /nfs/dbraw/zinc/65/21/82/564652182.db2.gz ORSAYKMIKWWXQE-HUBLWGQQSA-N 1 0 394.313 2.816 20 0 GFADRO CCCc1ccc(Cl)c(S(=O)(=O)N2CCN(C3CCOCC3)CC2)c1 ZINC000551512798 564652164 /nfs/dbraw/zinc/65/21/64/564652164.db2.gz JPLINICZIVQUQT-UHFFFAOYSA-N 1 0 386.945 2.778 20 0 GFADRO COc1ccc([C@H](C[NH+](C)C)NC(=O)c2cncc(Br)c2)cc1 ZINC000551534688 564653624 /nfs/dbraw/zinc/65/36/24/564653624.db2.gz RKFCCFDVZIMWQK-INIZCTEOSA-N 1 0 378.270 2.885 20 0 GFADRO C[NH+](C)CCOc1ccc(NC(=O)c2ccc(S(C)(=O)=O)o2)cc1Cl ZINC000522646150 564653785 /nfs/dbraw/zinc/65/37/85/564653785.db2.gz BNOQQUHWZDQELJ-UHFFFAOYSA-N 1 0 386.857 2.529 20 0 GFADRO Brc1c[nH]c(-c2nnc(N3CC[NH+](CC4CC4)CC3)n2C2CC2)c1 ZINC000573810894 564655415 /nfs/dbraw/zinc/65/54/15/564655415.db2.gz UYTMTAZERSSETD-UHFFFAOYSA-N 1 0 391.317 2.903 20 0 GFADRO CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)Nc1c(C)cc(Br)cc1C ZINC000522791794 564656701 /nfs/dbraw/zinc/65/67/01/564656701.db2.gz VLDOHRONSBQKJK-HNNXBMFYSA-N 1 0 396.329 2.995 20 0 GFADRO Cc1nc(C(F)(F)F)sc1C(=O)N1CC[C@@H](OCC[NH+]2CCCC2)C1 ZINC000486672349 564661889 /nfs/dbraw/zinc/66/18/89/564661889.db2.gz CMXHKLOJVZWVND-GFCCVEGCSA-N 1 0 377.432 2.797 20 0 GFADRO COCCSCCC[NH+]1CCN(Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000486684033 564663154 /nfs/dbraw/zinc/66/31/54/564663154.db2.gz AYFDBHXGKYTVTN-UHFFFAOYSA-N 1 0 382.961 2.875 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCC(=O)N[C@@H]1C1CC1)c1ccc(I)cc1 ZINC000551811505 564664485 /nfs/dbraw/zinc/66/44/85/564664485.db2.gz DFBZRWRCNUWBKJ-DRZCJDIDSA-N 1 0 384.261 2.999 20 0 GFADRO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)Nc1nccn1Cc1ccc(Br)cc1 ZINC000486724852 564664758 /nfs/dbraw/zinc/66/47/58/564664758.db2.gz XAUWJBBJEUQDCT-DOMZBBRYSA-N 1 0 377.286 2.830 20 0 GFADRO Cc1nn(C)c(CN2CC[N@H+](C)[C@@H](Cc3ccccc3)C2)c1Br ZINC000551834662 564665190 /nfs/dbraw/zinc/66/51/90/564665190.db2.gz VYGPZHUOPMDMPW-INIZCTEOSA-N 1 0 377.330 2.850 20 0 GFADRO CN(C[C@H]1CC[N@H+](C)C1)C(=O)c1cn(Cc2ccc(Cl)cc2Cl)nn1 ZINC000457540522 564665699 /nfs/dbraw/zinc/66/56/99/564665699.db2.gz OMQSSRNEWFIXNL-LBPRGKRZSA-N 1 0 382.295 2.657 20 0 GFADRO CS[C@@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)c(C)c2)C[C@@H]1[NH+](C)C ZINC000574121352 564668751 /nfs/dbraw/zinc/66/87/51/564668751.db2.gz DCSYPZIQPBDCFY-UONOGXRCSA-N 1 0 382.473 2.680 20 0 GFADRO COCC[N@H+](C)CCCNC(=O)NCc1c(C)cc(Br)cc1C ZINC000523539396 564669165 /nfs/dbraw/zinc/66/91/65/564669165.db2.gz XMRMRZQIYULLGC-UHFFFAOYSA-N 1 0 386.334 2.833 20 0 GFADRO C[NH+]1CCC(n2ccc(NC(=O)c3cccc(F)c3Br)n2)CC1 ZINC000551956375 564670591 /nfs/dbraw/zinc/67/05/91/564670591.db2.gz QTVFXCHSWXFQGX-UHFFFAOYSA-N 1 0 381.249 3.304 20 0 GFADRO C[NH+](C)CCOCCNC(=O)Nc1cccc2cc(Br)cnc21 ZINC000486930207 564670780 /nfs/dbraw/zinc/67/07/80/564670780.db2.gz DDBNLAIGUFJHIP-UHFFFAOYSA-N 1 0 381.274 2.697 20 0 GFADRO O=C(CC[NH2+]C1CC1)N[C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000574170838 564670901 /nfs/dbraw/zinc/67/09/01/564670901.db2.gz JGKXAKGKHIBQCE-GFCCVEGCSA-N 1 0 376.810 2.591 20 0 GFADRO O=C(NCc1nc2c(cccc2Br)[nH]1)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000457775960 564671960 /nfs/dbraw/zinc/67/19/60/564671960.db2.gz AHSVQYBCWQQMGA-NWDGAFQWSA-N 1 0 392.301 2.751 20 0 GFADRO CC[NH+]1CCC(NC(=O)c2cnc(Sc3nccn3C)c(Cl)c2)CC1 ZINC000523784592 564672758 /nfs/dbraw/zinc/67/27/58/564672758.db2.gz OVASYFLOHRYGPZ-UHFFFAOYSA-N 1 0 379.917 2.834 20 0 GFADRO O=C(NC[C@@]1(O)C[NH+]2CCC1CC2)c1csc(-c2ccc(Cl)cc2)n1 ZINC000552026521 564674196 /nfs/dbraw/zinc/67/41/96/564674196.db2.gz SIOLUHWVDFNZOG-GOSISDBHSA-N 1 0 377.897 2.650 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH2+]C[C@H](O)[C@@H]1CCOC1 ZINC000524065240 564676185 /nfs/dbraw/zinc/67/61/85/564676185.db2.gz MWBHQAUAQPOELP-KDOFPFPSSA-N 1 0 394.313 2.739 20 0 GFADRO Cc1ccc(Br)cc1S(=O)(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000487123058 564676572 /nfs/dbraw/zinc/67/65/72/564676572.db2.gz VYNMIRKJTZHWNA-KBPBESRZSA-N 1 0 375.332 2.909 20 0 GFADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)c3c(O)cnc4c(Br)cccc43)[C@@H]2C1 ZINC000487175569 564678516 /nfs/dbraw/zinc/67/85/16/564678516.db2.gz ZWVZPHXVYFUGFP-BXUZGUMPSA-N 1 0 390.281 2.869 20 0 GFADRO Cc1ccc(C[NH2+]Cc2cnn(-c3ccc(Br)cc3)c2)c(=O)n1C ZINC000487166602 564678615 /nfs/dbraw/zinc/67/86/15/564678615.db2.gz PJLVDYRAXSHLRQ-UHFFFAOYSA-N 1 0 387.281 2.932 20 0 GFADRO C[C@H]1[NH2+]CC[C@@H]1C(=O)NCc1cc(Cl)cc(I)c1 ZINC000574568822 564679890 /nfs/dbraw/zinc/67/98/90/564679890.db2.gz DNJAVKUBNIKLSE-PELKAZGASA-N 1 0 378.641 2.559 20 0 GFADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](C)Oc1cc(Cl)cc(Cl)c1 ZINC000524351428 564681294 /nfs/dbraw/zinc/68/12/94/564681294.db2.gz ZZPDMZJUEIDQDV-IUODEOHRSA-N 1 0 375.296 2.988 20 0 GFADRO CC[N@H+](Cc1ccc(C(=O)Nc2nn(C)cc2Br)cc1)C1CC1 ZINC000574640110 564682423 /nfs/dbraw/zinc/68/24/23/564682423.db2.gz FFIJNKRWZKJADH-UHFFFAOYSA-N 1 0 377.286 3.419 20 0 GFADRO CC[N@@H+]1CCC[C@H](NC(=O)NCc2nc3c(cccc3Br)[nH]2)C1 ZINC000458004095 564683273 /nfs/dbraw/zinc/68/32/73/564683273.db2.gz NXUSXOFWJXJERP-NSHDSACASA-N 1 0 380.290 2.609 20 0 GFADRO C[C@]1(C[NH2+]C[C@H](O)COc2ccc(Br)cc2)CCO[C@@H]1C1CC1 ZINC000574686394 564684642 /nfs/dbraw/zinc/68/46/42/564684642.db2.gz RSRZZMHNEIPRKG-CGTJXYLNSA-N 1 0 384.314 2.984 20 0 GFADRO C[C@H]([NH2+]Cc1ccc(C[S@](C)=O)cc1)c1cccc(NS(C)(=O)=O)c1 ZINC000552298136 564685739 /nfs/dbraw/zinc/68/57/39/564685739.db2.gz SHRIUJRDGLYEHR-BSEYFRJRSA-N 1 0 380.535 2.787 20 0 GFADRO C[C@H]1CN(C(=O)c2cscc2Br)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000552404974 564689883 /nfs/dbraw/zinc/68/98/83/564689883.db2.gz UOMGJWBBAFTVCJ-SWLSCSKDSA-N 1 0 386.359 2.609 20 0 GFADRO OC[C@@]1([C@@H]([NH2+]Cc2cc(Br)c3c(c2)OCCO3)C2CC2)CCCO1 ZINC000552425432 564690766 /nfs/dbraw/zinc/69/07/66/564690766.db2.gz ULYFQGBPDVFVOB-ZWKOTPCHSA-N 1 0 398.297 2.630 20 0 GFADRO COc1cc(C[N@@H+]2CCC[C@]3(CCSC3)C2)cc(Cl)c1OCC(N)=O ZINC000575131304 564692865 /nfs/dbraw/zinc/69/28/65/564692865.db2.gz KLMUFDPWFWKGDA-SFHVURJKSA-N 1 0 384.929 2.932 20 0 GFADRO C[NH+](C)CCN(Cc1ccsc1)C(=O)C1CCN(CC(F)(F)F)CC1 ZINC000458200534 564693316 /nfs/dbraw/zinc/69/33/16/564693316.db2.gz KYNGMDCXPZWNIR-UHFFFAOYSA-N 1 0 377.476 2.913 20 0 GFADRO O=C(Nc1cccc(C[N@H+]2CC[C@@H](O)C2)c1)c1ccncc1Br ZINC000552515882 564694017 /nfs/dbraw/zinc/69/40/17/564694017.db2.gz BRJTWQZIWIWLDM-CQSZACIVSA-N 1 0 376.254 2.663 20 0 GFADRO C[C@@H]1C[C@@H](C)C[NH+](CCCNS(=O)(=O)c2c[nH]c3nccc(Cl)c23)C1 ZINC000487673747 564694094 /nfs/dbraw/zinc/69/40/94/564694094.db2.gz NANYIVDBQHSXKC-CHWSQXEVSA-N 1 0 384.933 2.863 20 0 GFADRO CCCC[N@H+](C)CCNC(=O)C(=O)N[C@@H](C)Cc1ccc(Cl)cc1Cl ZINC000552523199 564694147 /nfs/dbraw/zinc/69/41/47/564694147.db2.gz AQNSMJRGOFCGQY-ZDUSSCGKSA-N 1 0 388.339 2.889 20 0 GFADRO C[NH+](C)CCN(Cc1ccsc1)C(=O)c1cc[nH]c(=O)c1Br ZINC000458228204 564694328 /nfs/dbraw/zinc/69/43/28/564694328.db2.gz SDVUKZFIKCQLGI-UHFFFAOYSA-N 1 0 384.299 2.815 20 0 GFADRO C[NH+](C)CCN(Cc1ccsc1)C(=O)[C@@H]1CCCN(CC(F)(F)F)C1 ZINC000458209307 564694720 /nfs/dbraw/zinc/69/47/20/564694720.db2.gz YDXOFXSHOLBIDU-OAHLLOKOSA-N 1 0 377.476 2.913 20 0 GFADRO C[NH+]1CCC(CC(=O)N(CCO)Cc2ccc(Br)s2)CC1 ZINC000487693932 564695030 /nfs/dbraw/zinc/69/50/30/564695030.db2.gz SXUNHTFNKQMYKI-UHFFFAOYSA-N 1 0 375.332 2.563 20 0 GFADRO O=C(CC[NH2+][C@@H]1CCCN(CC(F)(F)F)C1=O)Nc1cccc(Cl)c1 ZINC000575248711 564695251 /nfs/dbraw/zinc/69/52/51/564695251.db2.gz QFSNPWMHSSTUCT-CYBMUJFWSA-N 1 0 377.794 2.812 20 0 GFADRO C[N@@H+]1CCC[C@H](CCNC(=O)Cc2ccc(I)cc2)C1 ZINC000458238034 564695322 /nfs/dbraw/zinc/69/53/22/564695322.db2.gz ZJGHTJAUCJDPAO-CQSZACIVSA-N 1 0 386.277 2.682 20 0 GFADRO Cc1cc(Cl)ccc1S(=O)(=O)NCC[NH2+]Cc1ccc2[nH]cnc2c1 ZINC000575238241 564695866 /nfs/dbraw/zinc/69/58/66/564695866.db2.gz WTFBVXDLXJHUEV-UHFFFAOYSA-N 1 0 378.885 2.593 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NC[C@H](C)c1c(Cl)cccc1Cl ZINC000552861343 564703632 /nfs/dbraw/zinc/70/36/32/564703632.db2.gz SPMXRKBWZVUPCV-STQMWFEESA-N 1 0 386.323 2.814 20 0 GFADRO CCOC(=O)CNC(=O)C1CC[NH+](CCc2cc(Cl)ccc2Cl)CC1 ZINC000488115098 564704564 /nfs/dbraw/zinc/70/45/64/564704564.db2.gz VBFTVKOCICRURF-UHFFFAOYSA-N 1 0 387.307 2.927 20 0 GFADRO OCC[N@@H+](Cc1cccc(Br)c1)C[C@@H](O)COc1ccccc1 ZINC000488162666 564705613 /nfs/dbraw/zinc/70/56/13/564705613.db2.gz NJDQRXAZBDSBNU-QGZVFWFLSA-N 1 0 380.282 2.683 20 0 GFADRO COc1ccc(Br)cc1C(=O)CCC(=O)NCC[N@@H+]1CC[C@H](C)C1 ZINC000525804459 564709506 /nfs/dbraw/zinc/70/95/06/564709506.db2.gz XOUAMSYHGNYQAH-ZDUSSCGKSA-N 1 0 397.313 2.879 20 0 GFADRO CCCOC[C@@H](Cc1cccc(Br)c1)NC(=O)N(C)CCC[NH3+] ZINC000576254204 564710318 /nfs/dbraw/zinc/71/03/18/564710318.db2.gz JPTVJUJHTAYDTA-MRXNPFEDSA-N 1 0 386.334 2.777 20 0 GFADRO C[C@@H](NC(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1)c1ccc(Br)s1 ZINC000458672809 564711582 /nfs/dbraw/zinc/71/15/82/564711582.db2.gz DBRYOSWJXCPXMH-GRYCIOLGSA-N 1 0 390.347 2.668 20 0 GFADRO C[NH+](C)C1(CNC(=O)Cc2ccc(I)cc2)CCCC1 ZINC000488497918 564712589 /nfs/dbraw/zinc/71/25/89/564712589.db2.gz MEZQHLGTEAROCO-UHFFFAOYSA-N 1 0 386.277 2.824 20 0 GFADRO CC(C)n1c(-c2cc(Br)c[nH]2)nnc1N1CC[N@@H+]2CCC[C@H]2C1 ZINC000576351700 564712742 /nfs/dbraw/zinc/71/27/42/564712742.db2.gz LAHDBYUEJNANRE-ZDUSSCGKSA-N 1 0 379.306 2.901 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C(=O)NC[C@H](C)C[NH+](C)C ZINC000553229032 564712707 /nfs/dbraw/zinc/71/27/07/564712707.db2.gz ZZGQYRDDZHEGKN-LBPRGKRZSA-N 1 0 379.302 2.871 20 0 GFADRO CC[C@H](C)[N@H+](C)CCNC(=O)N[C@@H](CO)c1ccc(Br)c(F)c1 ZINC000488642715 564716402 /nfs/dbraw/zinc/71/64/02/564716402.db2.gz KNTZBJLYCYULNO-NHYWBVRUSA-N 1 0 390.297 2.651 20 0 GFADRO CCC[N@H+](CC)[C@@H](C)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000488758092 564719913 /nfs/dbraw/zinc/71/99/13/564719913.db2.gz HDWNSYYUGMBHNI-LBPRGKRZSA-N 1 0 375.922 2.649 20 0 GFADRO Cc1nccc(NC(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)c1Br ZINC000526097446 564719867 /nfs/dbraw/zinc/71/98/67/564719867.db2.gz CNBSJQGYLOPXMI-OAHLLOKOSA-N 1 0 391.313 2.869 20 0 GFADRO CO[C@@H]1[C@H](C)[C@@H]([NH2+]CCS(=O)(=O)c2ccc(Br)cc2)C1(C)C ZINC000553421752 564719900 /nfs/dbraw/zinc/71/99/00/564719900.db2.gz AXQUIPRDQHBGAQ-KCPJHIHWSA-N 1 0 390.343 2.872 20 0 GFADRO Cc1ccc(CCC[NH2+][C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)cn1 ZINC000576833110 564720991 /nfs/dbraw/zinc/72/09/91/564720991.db2.gz CYZVMURIAHZAOZ-QGZVFWFLSA-N 1 0 379.551 2.827 20 0 GFADRO COCCN(Cc1ccc(Br)s1)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC000577003126 564722404 /nfs/dbraw/zinc/72/24/04/564722404.db2.gz PFRLKMMBAKBARN-LBPRGKRZSA-N 1 0 375.332 2.827 20 0 GFADRO Cc1nc(CNC(=O)N2CC[N@@H+](C3CC3)C[C@H](C)C2)sc1Br ZINC000458919626 564724122 /nfs/dbraw/zinc/72/41/22/564724122.db2.gz DTZUPDVYXQOGFY-JTQLQIEISA-N 1 0 387.347 2.840 20 0 GFADRO CCN(CC[NH+]1CCCCCC1)S(=O)(=O)c1ccc(C(F)(F)F)cn1 ZINC000553552285 564725855 /nfs/dbraw/zinc/72/58/55/564725855.db2.gz ZWKFQNHUZNQJRL-UHFFFAOYSA-N 1 0 379.448 2.987 20 0 GFADRO Brc1cncnc1NCCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000577132587 564726034 /nfs/dbraw/zinc/72/60/34/564726034.db2.gz XOAOLGODEGUQFL-UHFFFAOYSA-N 1 0 391.313 3.368 20 0 GFADRO C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)N[C@@H](C)C[C@H](C)[NH3+])CC1 ZINC000577175490 564728315 /nfs/dbraw/zinc/72/83/15/564728315.db2.gz AEKQMMFNVITMPK-SOUVJXGZSA-N 1 0 397.361 2.963 20 0 GFADRO Cc1csc(C(=O)NCC[N@H+]2CC[C@H](C)C2)c1I ZINC000527046016 564728452 /nfs/dbraw/zinc/72/84/52/564728452.db2.gz RUHFCPPQYOILDB-VIFPVBQESA-N 1 0 378.279 2.733 20 0 GFADRO COCC[N@@H+]1CC[C@H](NC(=O)N2CC[C@@H](Sc3cccc(Cl)c3)C2)C1 ZINC000489164307 564731280 /nfs/dbraw/zinc/73/12/80/564731280.db2.gz CMAUMQNPRGJGCB-DOTOQJQBSA-N 1 0 383.945 2.937 20 0 GFADRO CNC(=O)c1ccc(C[NH2+]CCC(=O)Nc2cccc(Br)c2)cc1 ZINC000577323725 564734124 /nfs/dbraw/zinc/73/41/24/564734124.db2.gz KZAORPPOTKYZGJ-UHFFFAOYSA-N 1 0 390.281 2.927 20 0 GFADRO CC[C@@H]1CN(C(=O)NCc2ccc(Br)c(C)c2)CC[N@@H+]1C[C@@H](C)O ZINC000459172220 564734094 /nfs/dbraw/zinc/73/40/94/564734094.db2.gz JCKZILDHKOJEIV-GDBMZVCRSA-N 1 0 398.345 2.744 20 0 GFADRO CC(C)[C@H]1CN(C(=O)c2cc(I)ccc2F)CC[N@@H+]1C ZINC000489302173 564734905 /nfs/dbraw/zinc/73/49/05/564734905.db2.gz CIPODZBRDDLTSU-CQSZACIVSA-N 1 0 390.240 2.843 20 0 GFADRO O=C(CN1CCC([C@H]2CC[NH2+]C2)CC1)Nc1ccc(Br)cc1F ZINC000577512524 564735852 /nfs/dbraw/zinc/73/58/52/564735852.db2.gz BITVGACRSCOWQJ-ZDUSSCGKSA-N 1 0 384.293 2.848 20 0 GFADRO C[C@H]1C[C@H]1[N@@H+]1CCN(C(=O)c2[nH]nc(C3CC3)c2Br)C[C@@H](C)C1 ZINC000553785058 564736137 /nfs/dbraw/zinc/73/61/37/564736137.db2.gz SYYRPPCBZUJOTP-GMXVVIOVSA-N 1 0 381.318 2.852 20 0 GFADRO C[NH+](C)[C@@H]1CCCN(C(=O)NCc2nc3c(cccc3Br)[nH]2)C1 ZINC000459217547 564736694 /nfs/dbraw/zinc/73/66/94/564736694.db2.gz QAAPXWNYHCFMLM-LLVKDONJSA-N 1 0 380.290 2.561 20 0 GFADRO C[C@]1(CNC(=O)c2cnn(-c3ccc(Br)cc3)c2)CCC[NH2+]C1 ZINC000577601526 564736930 /nfs/dbraw/zinc/73/69/30/564736930.db2.gz RQPWQMIKWLSQEQ-KRWDZBQOSA-N 1 0 377.286 2.754 20 0 GFADRO CN(C(=O)NCC1=CC[NH2+]CC1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000577593312 564737426 /nfs/dbraw/zinc/73/74/26/564737426.db2.gz TTZFVLWVVAUREJ-OAHLLOKOSA-N 1 0 380.286 2.834 20 0 GFADRO C[N@@H+]1CCC[C@H](CCNC(=O)N2CCN(Cc3ccc(Cl)s3)CC2)C1 ZINC000459268603 564738768 /nfs/dbraw/zinc/73/87/68/564738768.db2.gz SGVSZROLRACUGD-OAHLLOKOSA-N 1 0 384.977 2.961 20 0 GFADRO Cn1cc(N2CC[C@H]([NH2+][C@@H]3CCCc4cc(Br)ccc43)C2=O)cn1 ZINC000527316263 564739210 /nfs/dbraw/zinc/73/92/10/564739210.db2.gz DDDVDINPLINFPA-SJORKVTESA-N 1 0 389.297 2.955 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)Cc2ccccc2Br)[C@H](C)C1 ZINC000553842128 564739475 /nfs/dbraw/zinc/73/94/75/564739475.db2.gz RAZVGUAGBNGAFB-CZUORRHYSA-N 1 0 389.359 2.941 20 0 GFADRO CS[C@@H]1CN(S(=O)(=O)Cc2cc(Cl)ccc2F)C[C@H]1[NH+]1CCCC1 ZINC000527327204 564740094 /nfs/dbraw/zinc/74/00/94/564740094.db2.gz OOHODNMZAMMRPG-HZPDHXFCSA-N 1 0 392.949 2.821 20 0 GFADRO CC(C)[N@@H+]1CCC[C@H](NS(=O)(=O)Cc2ccccc2Br)C1 ZINC000553853107 564740343 /nfs/dbraw/zinc/74/03/43/564740343.db2.gz OXDXAEBTTVSWBD-AWEZNQCLSA-N 1 0 375.332 2.741 20 0 GFADRO CC(C)[N@@H+]1CCC[C@@H](NS(=O)(=O)Cc2ccccc2Br)C1 ZINC000553853110 564740555 /nfs/dbraw/zinc/74/05/55/564740555.db2.gz OXDXAEBTTVSWBD-CQSZACIVSA-N 1 0 375.332 2.741 20 0 GFADRO COCC[N@H+](C[C@H](O)COc1cc(Cl)ccc1Cl)[C@H]1CCO[C@H]1C ZINC000489500489 564741988 /nfs/dbraw/zinc/74/19/88/564741988.db2.gz UWZURGKBZARLJL-NOLJZWGESA-N 1 0 378.296 2.859 20 0 GFADRO COCC[N@H+](C[C@H](O)COc1cc(Cl)ccc1Cl)[C@@H]1CCO[C@H]1C ZINC000489500486 564742091 /nfs/dbraw/zinc/74/20/91/564742091.db2.gz UWZURGKBZARLJL-DUVNUKRYSA-N 1 0 378.296 2.859 20 0 GFADRO CCO[C@@H]1C[C@H]([NH2+]C[C@H](O)COc2ccc(C(F)(F)F)cc2)[C@H]1SC ZINC000459399494 564742232 /nfs/dbraw/zinc/74/22/32/564742232.db2.gz VACINPDCHRKIPL-ARLBYUKCSA-N 1 0 379.444 2.944 20 0 GFADRO CCS(=O)(=O)N1CCN(Cc2cnc(-c3ccc(C)cc3)s2)[C@H](C)C1 ZINC000578175694 564742212 /nfs/dbraw/zinc/74/22/12/564742212.db2.gz TVJKIFIGRYZDAL-OAHLLOKOSA-N 1 0 379.551 2.974 20 0 GFADRO CC(C)[NH2+]CCCNC(=O)C(=O)Nc1cccnc1-c1ccc(Cl)s1 ZINC000578167782 564742351 /nfs/dbraw/zinc/74/23/51/564742351.db2.gz IVEOVWRBXCPAFL-UHFFFAOYSA-N 1 0 380.901 2.906 20 0 GFADRO C[NH+]1CCN(c2ncccc2CNCc2cccc(O)c2Br)CC1 ZINC000459388904 564742647 /nfs/dbraw/zinc/74/26/47/564742647.db2.gz MKOBIOVJRSWBRR-UHFFFAOYSA-N 1 0 391.313 2.591 20 0 GFADRO CC[C@@H]1Cc2c(Br)cccc2CN1CCN1C(=O)N[C@H](C)C1=O ZINC000459432577 564745082 /nfs/dbraw/zinc/74/50/82/564745082.db2.gz SAULUPCHORACAY-DGCLKSJQSA-N 1 0 380.286 2.526 20 0 GFADRO Cc1cc2c(o1)c(C(=O)NC[C@@]1(O)C[NH+]3CCC1CC3)ccc2Br ZINC000579256796 564746448 /nfs/dbraw/zinc/74/64/48/564746448.db2.gz GNBHULXDHBDOOY-GOSISDBHSA-N 1 0 393.281 2.690 20 0 GFADRO CO[C@@H]1CCN(C(=O)c2cc3sc(N4CCCC4)nc3s2)[C@@H](C[NH3+])C1 ZINC000579343002 564747444 /nfs/dbraw/zinc/74/74/44/564747444.db2.gz DHJYYEOWAZTJSW-VXGBXAGGSA-N 1 0 380.539 2.536 20 0 GFADRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1cccc(I)c1 ZINC000579629078 564749661 /nfs/dbraw/zinc/74/96/61/564749661.db2.gz RCOBPVSYQSSALL-IUODEOHRSA-N 1 0 384.261 2.990 20 0 GFADRO CCn1nncc1CN(CCc1ccc(Cl)cc1)C[C@H](O)C(F)(F)F ZINC000459540953 564749719 /nfs/dbraw/zinc/74/97/19/564749719.db2.gz VXQQZJXQVDPNLB-HNNXBMFYSA-N 1 0 376.810 2.919 20 0 GFADRO NS(=O)(=O)c1ccc(NC[C@H]2CCCC[N@@H+]2C2CC2)cc1C(F)(F)F ZINC000579667701 564751492 /nfs/dbraw/zinc/75/14/92/564751492.db2.gz NWFZUGXXWTXFKO-CYBMUJFWSA-N 1 0 377.432 2.782 20 0 GFADRO CC(C)C[N@@H+]1CCO[C@H](CNCc2ncc(Cl)cc2Br)C1 ZINC000527632210 564752413 /nfs/dbraw/zinc/75/24/13/564752413.db2.gz QZPHVSOZFKAUEM-CYBMUJFWSA-N 1 0 376.726 2.944 20 0 GFADRO C[C@H](CCc1ccc(I)cc1)[NH2+]CC(C)(C)OCCO ZINC000489797324 564752749 /nfs/dbraw/zinc/75/27/49/564752749.db2.gz QWVXJTMCXKMGFD-CYBMUJFWSA-N 1 0 391.293 2.989 20 0 GFADRO FC(F)Oc1ccc(Br)cc1CN1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000489798103 564753578 /nfs/dbraw/zinc/75/35/78/564753578.db2.gz WGXGZAXPRMLFBL-CQSZACIVSA-N 1 0 390.272 2.530 20 0 GFADRO Cc1csc(C(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)c1I ZINC000580304587 564755121 /nfs/dbraw/zinc/75/51/21/564755121.db2.gz LRWSJWJLPCVCSV-ZJUUUORDSA-N 1 0 378.279 2.908 20 0 GFADRO O[C@@H](C[NH2+]CCC1(O)CCC1)COc1ccc(Cl)cc1Br ZINC000580306187 564755328 /nfs/dbraw/zinc/75/53/28/564755328.db2.gz CHCDEJAVNAXCEB-LBPRGKRZSA-N 1 0 378.694 2.737 20 0 GFADRO CC1CCC([NH+]2CCN(C(=O)NCc3nn(C)cc3Br)CC2)CC1 ZINC000580401176 564756297 /nfs/dbraw/zinc/75/62/97/564756297.db2.gz UOZOFVWRSMNGDM-UHFFFAOYSA-N 1 0 398.349 2.589 20 0 GFADRO Brc1ccc(-c2n[nH]cc2C[NH2+]CC2(N3CCOCC3)CC2)s1 ZINC000527701074 564756384 /nfs/dbraw/zinc/75/63/84/564756384.db2.gz RSSUFJXNJDBMTA-UHFFFAOYSA-N 1 0 397.342 2.855 20 0 GFADRO OC[C@@H](C[NH2+]C1CCN(C2CC2)CC1)Cc1cc(F)cc(Br)c1 ZINC000459690838 564756972 /nfs/dbraw/zinc/75/69/72/564756972.db2.gz FRVIGYSGFOJUEF-CQSZACIVSA-N 1 0 385.321 2.956 20 0 GFADRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NC(C)(C)COc1ncc(Cl)cc1Cl ZINC000580413441 564757136 /nfs/dbraw/zinc/75/71/36/564757136.db2.gz YPKIFESESJSQRS-ZWNOBZJWSA-N 1 0 375.300 2.843 20 0 GFADRO CC(C)[C@H](CO)C[NH2+][C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000580416114 564757454 /nfs/dbraw/zinc/75/74/54/564757454.db2.gz XJWIJAMJMMGNHP-FZMZJTMJSA-N 1 0 376.316 2.522 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)c(C)c1C[N@@H+]1CCC[C@@](O)(CO)C1 ZINC000459697445 564757886 /nfs/dbraw/zinc/75/78/86/564757886.db2.gz DSQKYRLHDJQVKA-SFHVURJKSA-N 1 0 394.313 2.571 20 0 GFADRO O=S(=O)(c1ccc(Br)c(Cl)c1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000489968296 564758243 /nfs/dbraw/zinc/75/82/43/564758243.db2.gz XAVXVNXYGXLLFP-AWEZNQCLSA-N 1 0 393.734 2.867 20 0 GFADRO O=C(C[NH2+]C1(CO)CCSCC1)N[C@H](c1cccs1)c1ccccc1 ZINC000459721494 564758776 /nfs/dbraw/zinc/75/87/76/564758776.db2.gz YNUFZBXUFYVKLK-SFHVURJKSA-N 1 0 376.547 2.801 20 0 GFADRO COc1ccncc1CNC(=O)COc1ccc(Br)cc1C(C)=O ZINC000554368015 564758793 /nfs/dbraw/zinc/75/87/93/564758793.db2.gz YLCQHBIGURBUSI-UHFFFAOYSA-N 1 0 393.237 2.751 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]CC[C@H]1CCCOC1 ZINC000527735560 564758853 /nfs/dbraw/zinc/75/88/53/564758853.db2.gz DQUIEBPYRCTPAS-UONOGXRCSA-N 1 0 399.329 2.869 20 0 GFADRO O=S(=O)(c1ccc(F)cc1)N1CCC[N@H+](C[C@@H]2CCC(F)(F)C2)CC1 ZINC000580458274 564759143 /nfs/dbraw/zinc/75/91/43/564759143.db2.gz JGFFFLHDACKYON-CQSZACIVSA-N 1 0 376.444 2.958 20 0 GFADRO O[C@H](C[NH2+]Cc1ccc(OC(F)(F)F)c(Br)c1)[C@@H]1CCCO1 ZINC000527753998 564759317 /nfs/dbraw/zinc/75/93/17/564759317.db2.gz CCNLPKQGXIIFTK-YPMHNXCESA-N 1 0 384.192 2.977 20 0 GFADRO O[C@H](C[NH2+]Cc1cc(Br)cc(Br)c1)[C@H]1CCCO1 ZINC000527756026 564759449 /nfs/dbraw/zinc/75/94/49/564759449.db2.gz JBZGKPXKPMSJGZ-CHWSQXEVSA-N 1 0 379.092 2.841 20 0 GFADRO O[C@@H](C[NH2+]Cc1ccc(Br)c(Br)c1)[C@@H]1CCCO1 ZINC000527758081 564759467 /nfs/dbraw/zinc/75/94/67/564759467.db2.gz MBFMGDMVPYJHAD-STQMWFEESA-N 1 0 379.092 2.841 20 0 GFADRO C[C@@H]([NH2+]C[C@@H](O)COc1ccc(Cl)cc1Br)c1ccn(C)n1 ZINC000459772671 564761084 /nfs/dbraw/zinc/76/10/84/564761084.db2.gz BYOCUUHXDDYRCL-ZYHUDNBSSA-N 1 0 388.693 2.927 20 0 GFADRO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)N1CCC(C[NH+](C)C)CC1 ZINC000459849045 564762638 /nfs/dbraw/zinc/76/26/38/564762638.db2.gz FLWWZSKIMFZTQV-UHFFFAOYSA-N 1 0 386.323 2.752 20 0 GFADRO C[C@@H]([NH2+]C[C@H]1CCN(S(C)(=O)=O)C1)c1cc(F)c(Br)cc1F ZINC000527874177 564763377 /nfs/dbraw/zinc/76/33/77/564763377.db2.gz BHUJCQCLSFNYDM-NXEZZACHSA-N 1 0 397.285 2.659 20 0 GFADRO C[N@H+](CCNC(=O)NCCCn1cc(Br)cn1)C1CCCCC1 ZINC000490220360 564766482 /nfs/dbraw/zinc/76/64/82/564766482.db2.gz CXTQKGOTEGMHLB-UHFFFAOYSA-N 1 0 386.338 2.599 20 0 GFADRO C[N@@H+]1CC[C@H]2CCN(C(=O)C3=Cc4cc(Br)ccc4OC3)[C@@H]2C1 ZINC000490226433 564766599 /nfs/dbraw/zinc/76/65/99/564766599.db2.gz BDQFKVOJICRBOQ-BLLLJJGKSA-N 1 0 377.282 2.778 20 0 GFADRO O=C([C@H](c1ccc(Br)cc1)N1CCCC1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000580644781 564767885 /nfs/dbraw/zinc/76/78/85/564767885.db2.gz SUJNWISBHYLJDH-NJAFHUGGSA-N 1 0 392.341 2.796 20 0 GFADRO O=S(=O)(c1cccc(Cl)c1Cl)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000528059596 564769151 /nfs/dbraw/zinc/76/91/51/564769151.db2.gz FQTANOQLMBFSSQ-ZDUSSCGKSA-N 1 0 393.336 2.773 20 0 GFADRO Oc1cc(C[NH2+]C[C@@]2(N3CCOCC3)CCSC2)cc(C(F)(F)F)c1 ZINC000580679616 564769347 /nfs/dbraw/zinc/76/93/47/564769347.db2.gz GQHJYLPWVSZAIR-INIZCTEOSA-N 1 0 376.444 2.709 20 0 GFADRO O=C(N[C@H](CO)C[NH+]1CCCCC1)c1cc2ccc(Br)cc2[nH]1 ZINC000554682331 564770065 /nfs/dbraw/zinc/77/00/65/564770065.db2.gz XYIXCHCPDLOBGR-AWEZNQCLSA-N 1 0 380.286 2.507 20 0 GFADRO C[N@@H+]1CCCN(c2ccc(-c3noc([C@@H]4C[C@@]4(C)Br)n3)cn2)CC1 ZINC000528123512 564770900 /nfs/dbraw/zinc/77/09/00/564770900.db2.gz YUZSDRHWRRGYDQ-SUMWQHHRSA-N 1 0 392.301 2.914 20 0 GFADRO CCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CC[NH+](CC)CC1 ZINC000460168562 564771244 /nfs/dbraw/zinc/77/12/44/564771244.db2.gz PHDSNXCQPPUWKZ-UHFFFAOYSA-N 1 0 394.317 2.878 20 0 GFADRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)NCc1ccc(Br)c(F)c1F ZINC000528254538 564774401 /nfs/dbraw/zinc/77/44/01/564774401.db2.gz DIBVTGMRDMEIPK-NSHDSACASA-N 1 0 376.245 2.963 20 0 GFADRO C[C@H]1c2cc(Cl)cc(Cl)c2CCN1C(=O)C(=O)N1CCC[C@H](C[NH3+])C1 ZINC000581005972 564783823 /nfs/dbraw/zinc/78/38/23/564783823.db2.gz KUDQYZCUDDTJNP-NWDGAFQWSA-N 1 0 384.307 2.636 20 0 GFADRO CCn1nc(C)c(C[NH2+]C[C@H](O)COc2ccc(Br)cc2)c1C ZINC000581006979 564784183 /nfs/dbraw/zinc/78/41/83/564784183.db2.gz ZFSDOZXSCOJNSR-HNNXBMFYSA-N 1 0 382.302 2.812 20 0 GFADRO Cc1c(C(=O)N[C@H](C)C[N@H+](C)C(C)C)nnn1-c1cccc(Br)c1 ZINC000461023555 564788156 /nfs/dbraw/zinc/78/81/56/564788156.db2.gz AGFFQVYXBIMDNW-GFCCVEGCSA-N 1 0 394.317 2.797 20 0 GFADRO O=c1cc(C[NH+]2CCC(c3ncc[nH]3)CC2)nc2ccc(Br)cn12 ZINC000555288416 564788848 /nfs/dbraw/zinc/78/88/48/564788848.db2.gz ZWIRMMIXWRFYTC-UHFFFAOYSA-N 1 0 388.269 2.560 20 0 GFADRO O=C(CCOc1ccc(Cl)c(Cl)c1)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000461192038 564791425 /nfs/dbraw/zinc/79/14/25/564791425.db2.gz KIXHFCKDSCACAO-AWEZNQCLSA-N 1 0 387.307 2.943 20 0 GFADRO CC(C)[C@@H](CNC(=O)c1sc2ncccc2c1Cl)N1CC[NH+](C)CC1 ZINC000528557584 564794873 /nfs/dbraw/zinc/79/48/73/564794873.db2.gz UOFOPIXLIQYNKL-CQSZACIVSA-N 1 0 380.945 2.952 20 0 GFADRO C[C@@H]([NH2+]Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CC(F)(F)F)CC1 ZINC000555474421 564795056 /nfs/dbraw/zinc/79/50/56/564795056.db2.gz TUQZBGCGZAVJHI-CYBMUJFWSA-N 1 0 378.460 2.843 20 0 GFADRO CC[NH+](CC)CCCNc1ncnc2ccc(I)cc21 ZINC000461460866 564797770 /nfs/dbraw/zinc/79/77/70/564797770.db2.gz OPXICQDORPJHKG-UHFFFAOYSA-N 1 0 384.265 3.378 20 0 GFADRO C[C@H]1CCCC[N@@H+]1CCC(=O)N(C)CC(=O)Nc1ccc(Br)cn1 ZINC000555559141 564797828 /nfs/dbraw/zinc/79/78/28/564797828.db2.gz ILVVGCGNCRSHSH-ZDUSSCGKSA-N 1 0 397.317 2.506 20 0 GFADRO CSC1(CNC(=O)N[C@H](CO)c2cccc(Cl)c2F)CC[NH+](C)CC1 ZINC000581402908 564800768 /nfs/dbraw/zinc/80/07/68/564800768.db2.gz QUFRRXBSZXNJGM-CQSZACIVSA-N 1 0 389.924 2.639 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)Nc2cc(Cl)c(Br)cc2F)CCCO1 ZINC000528695924 564801933 /nfs/dbraw/zinc/80/19/33/564801933.db2.gz FJOMIMHWXWZOFC-MRVPVSSYSA-N 1 0 380.645 2.823 20 0 GFADRO C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[NH2+]CC(=O)Nc1ccccc1I ZINC000528760229 564803605 /nfs/dbraw/zinc/80/36/05/564803605.db2.gz XGZBHUHCLDOPNH-JNIYBQFBSA-N 1 0 388.249 2.631 20 0 GFADRO C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1[NH2+]CC(=O)N(C)Cc1cc(Br)cs1 ZINC000528754417 564803624 /nfs/dbraw/zinc/80/36/24/564803624.db2.gz DFJKJEXXBPYAPK-ZVXAKGHKSA-N 1 0 375.332 2.871 20 0 GFADRO C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000528761499 564803814 /nfs/dbraw/zinc/80/38/14/564803814.db2.gz YWWGILUDQSHHHL-YFNQRXEKSA-N 1 0 376.266 2.729 20 0 GFADRO C[C@@H]1CCCc2nc(S(=O)(=O)N(CC[NH+](C)C)Cc3cccs3)cn21 ZINC000581477269 564804595 /nfs/dbraw/zinc/80/45/95/564804595.db2.gz JOHBJJJFHAOHSD-CQSZACIVSA-N 1 0 382.555 2.594 20 0 GFADRO O=C(CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[S@]2=O)Nc1ccccc1Br ZINC000528787334 564804945 /nfs/dbraw/zinc/80/49/45/564804945.db2.gz ZNNLNPCLXOZTAZ-IFMYKAFSSA-N 1 0 385.327 2.763 20 0 GFADRO COC(=O)c1cc(Br)cc(C(=O)N[C@H](C)C[NH+]2CCCCC2)c1 ZINC000461896237 564807438 /nfs/dbraw/zinc/80/74/38/564807438.db2.gz UIIVZEBWAKYINP-GFCCVEGCSA-N 1 0 383.286 2.840 20 0 GFADRO CN([C@H](C[NH3+])C1CC1)S(=O)(=O)c1c(Cl)cc(F)cc1Br ZINC000461901833 564808336 /nfs/dbraw/zinc/80/83/36/564808336.db2.gz PWNAOOTUCLCNHZ-LLVKDONJSA-N 1 0 385.686 2.599 20 0 GFADRO O=C(N[C@@H]1CCOC2(CCSCC2)C1)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000581557896 564808310 /nfs/dbraw/zinc/80/83/10/564808310.db2.gz YOVQTDQXWMMPKO-SJORKVTESA-N 1 0 384.611 2.765 20 0 GFADRO O=C(NC[C@H]1C[NH2+]CCCO1)Nc1cc(C(F)(F)F)ccc1Br ZINC000581596142 564809334 /nfs/dbraw/zinc/80/93/34/564809334.db2.gz YTUGMAJWFOTORF-SNVBAGLBSA-N 1 0 396.207 2.968 20 0 GFADRO COc1cc(Br)c(C[NH2+][C@H]2CCOC3(CCOCC3)C2)cc1O ZINC000493688512 564809592 /nfs/dbraw/zinc/80/95/92/564809592.db2.gz OJQADOUNYZERIJ-ZDUSSCGKSA-N 1 0 386.286 2.981 20 0 GFADRO C[C@H]1CN(C(=O)c2ccsc2C(F)(F)F)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000528934486 564810075 /nfs/dbraw/zinc/81/00/75/564810075.db2.gz WZJKUKQRJBCURW-JSGCOSHPSA-N 1 0 375.460 2.865 20 0 GFADRO C[C@H]1C[C@H](NS(=O)(=O)c2cccc(Cl)c2Br)CC[N@@H+]1C ZINC000493899624 564813016 /nfs/dbraw/zinc/81/30/16/564813016.db2.gz GDLPNTDYXFYXRU-VHSXEESVSA-N 1 0 381.723 2.864 20 0 GFADRO Cc1[nH]c(=O)c(Br)cc1C(=O)N[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000581682683 564813975 /nfs/dbraw/zinc/81/39/75/564813975.db2.gz GNIBLNMMUGFATD-ZBFHGGJFSA-N 1 0 390.281 2.686 20 0 GFADRO O[C@@H]1C[C@H]([C@@H]2CCCOC2)[N@H+](Cc2cc(Br)c3c(c2)OCCO3)C1 ZINC000556180208 564814408 /nfs/dbraw/zinc/81/44/08/564814408.db2.gz PFTJFNNVWBRPDW-IIAWOOMASA-N 1 0 398.297 2.582 20 0 GFADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@H](c1ccccc1)N(C)C ZINC000556234209 564814869 /nfs/dbraw/zinc/81/48/69/564814869.db2.gz WEKOKTNZRFEENH-RHSMWYFYSA-N 1 0 378.314 2.892 20 0 GFADRO C[NH+](C)C1(CNC(=O)[C@H]2CCc3cc(Br)ccc32)CCOCC1 ZINC000581727470 564816087 /nfs/dbraw/zinc/81/60/87/564816087.db2.gz DFAPILSTLBXAJH-INIZCTEOSA-N 1 0 381.314 2.706 20 0 GFADRO COCC[N@@H+]1CC[C@H](NC(=O)Nc2nc3c(cccc3Br)s2)C1 ZINC000494056628 564816242 /nfs/dbraw/zinc/81/62/42/564816242.db2.gz QGDROUAMYKNNLU-JTQLQIEISA-N 1 0 399.314 2.901 20 0 GFADRO O=C(NCCOc1ccc(Br)cc1)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000581776852 564817818 /nfs/dbraw/zinc/81/78/18/564817818.db2.gz YKSQHMHDOGSTBD-LSDHHAIUSA-N 1 0 396.329 2.859 20 0 GFADRO CC(C)[N@H+](C)CCNC(=O)[C@@H](c1ccc(Cl)cc1Cl)N1CCOCC1 ZINC000462090199 564817842 /nfs/dbraw/zinc/81/78/42/564817842.db2.gz DDCCJZHJOVCBHR-QGZVFWFLSA-N 1 0 388.339 2.823 20 0 GFADRO CC[NH+](CC)[C@H]1CCN(S(=O)(=O)CCc2ccccc2Br)C1 ZINC000462105712 564819510 /nfs/dbraw/zinc/81/95/10/564819510.db2.gz UYVFRRCFWLNMQN-HNNXBMFYSA-N 1 0 389.359 2.738 20 0 GFADRO C[N@@H+](Cc1ccc(Br)c(F)c1)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000494245602 564819987 /nfs/dbraw/zinc/81/99/87/564819987.db2.gz SSPPIIWTXMLZTF-ZDUSSCGKSA-N 1 0 393.322 2.692 20 0 GFADRO CC(C)c1ccc(Cl)c(S(=O)(=O)NCCN2CC[N@H+](C)C(C)(C)C2)c1 ZINC000556392501 564823488 /nfs/dbraw/zinc/82/34/88/564823488.db2.gz MILSYPOXXOQWLL-UHFFFAOYSA-N 1 0 387.977 2.768 20 0 GFADRO Cc1c(Br)cc(C[NH2+]CC2(CO)COC2)cc1Br ZINC000556416528 564825230 /nfs/dbraw/zinc/82/52/30/564825230.db2.gz STNMOUGJOZMDTD-UHFFFAOYSA-N 1 0 379.092 2.619 20 0 GFADRO O=C(NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1c(Cl)cncc1Cl ZINC000556421477 564825240 /nfs/dbraw/zinc/82/52/40/564825240.db2.gz WOQSHONNHGXIQI-SFHVURJKSA-N 1 0 380.275 2.755 20 0 GFADRO Cc1cccc(CNC(=O)[C@]2([NH3+])[C@@H]3CCCO[C@H]3C2(C)C)c1Br ZINC000582001908 564826309 /nfs/dbraw/zinc/82/63/09/564826309.db2.gz SCNFHNYBAWFQAZ-DDUZABMNSA-N 1 0 381.314 2.906 20 0 GFADRO CNC(=O)c1cccc(NC(=O)N2CC[N@H+](C)[C@H](C(C)C)C2)c1Br ZINC000494362659 564826787 /nfs/dbraw/zinc/82/67/87/564826787.db2.gz BXHJPQLAHDTBFA-AWEZNQCLSA-N 1 0 397.317 2.613 20 0 GFADRO Cn1nccc1[C@H]1CCC[C@H]([NH2+]CCn2cc(Br)ccc2=O)C1 ZINC000556454307 564826963 /nfs/dbraw/zinc/82/69/63/564826963.db2.gz WAIVLBGNWDCGLA-ZFWWWQNUSA-N 1 0 379.302 2.660 20 0 GFADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)NCc2cccc(Cl)c2Cl)C1 ZINC000582016707 564827832 /nfs/dbraw/zinc/82/78/32/564827832.db2.gz JBJIRWPXIVBLOX-ZDUSSCGKSA-N 1 0 386.323 2.800 20 0 GFADRO CCSc1nnc(NC(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)s1 ZINC000462240287 564828510 /nfs/dbraw/zinc/82/85/10/564828510.db2.gz WFNSILHVMRKYPY-GXTWGEPZSA-N 1 0 377.539 3.292 20 0 GFADRO CC[C@H](NC(=O)c1ccn(CC[NH+](C)C)n1)c1nc(C(F)(F)F)cs1 ZINC000582071146 564829634 /nfs/dbraw/zinc/82/96/34/564829634.db2.gz JCCWEIOFFRBCAP-JTQLQIEISA-N 1 0 375.420 2.801 20 0 GFADRO O=C(N[C@@H]1CC[NH2+]C12CCC2)N1CCc2c(F)ccc(Br)c2C1 ZINC000529348868 564830402 /nfs/dbraw/zinc/83/04/02/564830402.db2.gz FKVASJRLJBQERD-OAHLLOKOSA-N 1 0 382.277 2.941 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCO[C@H]1C1CC1)C(=O)N(C)Cc1ccc(Br)cc1 ZINC000494466788 564831700 /nfs/dbraw/zinc/83/17/00/564831700.db2.gz PVLIRFDTIBAEKD-VUCTXSBTSA-N 1 0 381.314 2.953 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)NCc3cc(F)c(Br)cc3F)C[C@@H]21 ZINC000529370551 564831852 /nfs/dbraw/zinc/83/18/52/564831852.db2.gz QEZJCUKUNMUOIW-BPYAMOTFSA-N 1 0 388.256 2.996 20 0 GFADRO CN(C)CC[N@H+](C)CCCN(C)C(=O)c1cn2cc(Cl)cc(Cl)c2n1 ZINC000582146841 564832379 /nfs/dbraw/zinc/83/23/79/564832379.db2.gz LFKBQOGAKRYXGY-UHFFFAOYSA-N 1 0 386.327 2.597 20 0 GFADRO CC[N@H+](CCNC(=O)Nc1cn(C)nc1C(F)(F)F)CCC(F)(F)F ZINC000494585384 564833979 /nfs/dbraw/zinc/83/39/79/564833979.db2.gz YADVJOGRSVVXDE-UHFFFAOYSA-N 1 0 375.317 2.835 20 0 GFADRO C[C@]1(C(=O)NCc2noc(-c3cccc(Br)c3)n2)CCC[NH2+]C1 ZINC000582181916 564834468 /nfs/dbraw/zinc/83/44/68/564834468.db2.gz BDTRKALJVSNQNK-INIZCTEOSA-N 1 0 379.258 2.505 20 0 GFADRO O=C(NC[C@@H]1CCCC[N@H+]1CCO)[C@@H]1C[C@H]1c1csc(Br)c1 ZINC000529440618 564835889 /nfs/dbraw/zinc/83/58/89/564835889.db2.gz CIAKUZAEROTUCJ-MELADBBJSA-N 1 0 387.343 2.577 20 0 GFADRO Cc1ccsc1[C@@H](CO)[NH2+]CC(=O)N(Cc1ccco1)CC(F)(F)F ZINC000494629500 564836082 /nfs/dbraw/zinc/83/60/82/564836082.db2.gz HNGSLGMTTHMTQR-CYBMUJFWSA-N 1 0 376.400 2.864 20 0 GFADRO Cc1ccsc1[C@@H](CO)[NH2+]C[C@@H](O)COc1ccc(Br)cc1 ZINC000494651183 564836567 /nfs/dbraw/zinc/83/65/67/564836567.db2.gz AQQHUYSLVLNMGD-UKRRQHHQSA-N 1 0 386.311 2.882 20 0 GFADRO C[C@H]1CN(C2CC2)C[C@@H]1[NH2+]CCC(=O)N(C)Cc1ccccc1Br ZINC000494680269 564836847 /nfs/dbraw/zinc/83/68/47/564836847.db2.gz MYDXNGITEWBAPS-KSSFIOAISA-N 1 0 394.357 2.870 20 0 GFADRO [NH3+][C@H]1CCC[C@H](CNS(=O)(=O)c2cc(Br)sc2Cl)C1 ZINC000582300856 564839700 /nfs/dbraw/zinc/83/97/00/564839700.db2.gz GQDFCLNTTQARBJ-YUMQZZPRSA-N 1 0 387.752 2.960 20 0 GFADRO Cc1ccc(S(=O)(=O)NCC2([NH+](C)C)CCCC2)cc1Br ZINC000462438457 564839735 /nfs/dbraw/zinc/83/97/35/564839735.db2.gz WPTHXUGUBXICGH-UHFFFAOYSA-N 1 0 375.332 2.910 20 0 GFADRO Cc1ccc(S(=O)(=O)NCC[N@H+]2CCC[C@H](C)C2)cc1Br ZINC000462443297 564839791 /nfs/dbraw/zinc/83/97/91/564839791.db2.gz XHWCAYWGYPUGON-LBPRGKRZSA-N 1 0 375.332 2.768 20 0 GFADRO O=C([O-])[C@@H]1C[N@H+](CCCn2ccnc2)C[C@H]1c1ccc(Br)cc1 ZINC000582307033 564840158 /nfs/dbraw/zinc/84/01/58/564840158.db2.gz RHKFDRJTPLOOQP-JKSUJKDBSA-N 1 0 378.270 2.836 20 0 GFADRO Cn1ccnc1[C@H]1CC[N@@H+]([C@@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000582309004 564840879 /nfs/dbraw/zinc/84/08/79/564840879.db2.gz HMGXCFOIISTREO-XJKSGUPXSA-N 1 0 389.297 2.777 20 0 GFADRO C[N@@H+]1CCN(C(=O)[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)CC1(C)C ZINC000556803504 564841002 /nfs/dbraw/zinc/84/10/02/564841002.db2.gz XJKHNVMFRIMNMH-ZDUSSCGKSA-N 1 0 384.307 2.899 20 0 GFADRO COCCN(Cc1cc(Br)cs1)C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000494832390 564841827 /nfs/dbraw/zinc/84/18/27/564841827.db2.gz AXPMJCUKXGWRIM-CYBMUJFWSA-N 1 0 390.347 2.763 20 0 GFADRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1Cc1ncc(Cl)cc1Br ZINC000529552270 564842051 /nfs/dbraw/zinc/84/20/51/564842051.db2.gz MNLDBWGUFBNZSE-LLVKDONJSA-N 1 0 376.726 2.775 20 0 GFADRO O=C(NC[C@H]1C[NH2+]CCCO1)Nc1ccc(Cl)cc1OCC(F)(F)F ZINC000582348189 564842413 /nfs/dbraw/zinc/84/24/13/564842413.db2.gz RGMVFBILUHVQSG-LLVKDONJSA-N 1 0 381.782 2.781 20 0 GFADRO COc1ccc(C[NH2+][C@H]2CCC[C@@H](S(C)(=O)=O)C2)c(Br)c1 ZINC000556837283 564843028 /nfs/dbraw/zinc/84/30/28/564843028.db2.gz BTYXEOHGDOXBOZ-GXTWGEPZSA-N 1 0 376.316 2.903 20 0 GFADRO C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)CC[NH2+]C2CC2)CC1 ZINC000582370399 564843657 /nfs/dbraw/zinc/84/36/57/564843657.db2.gz OMMSNJYQYDCONT-CQSZACIVSA-N 1 0 380.330 2.796 20 0 GFADRO CO[C@@H]1CCN(C(=O)c2cc(C)c(Br)c(Cl)c2)[C@H](C[NH3+])C1 ZINC000582415090 564845496 /nfs/dbraw/zinc/84/54/96/564845496.db2.gz YHMXVGDPBAYMEI-NWDGAFQWSA-N 1 0 375.694 2.989 20 0 GFADRO CC1(C)Cc2c(cccc2Br)[C@H]1NC(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000582410420 564845514 /nfs/dbraw/zinc/84/55/14/564845514.db2.gz FDOYDFQFTTVYEE-BLLLJJGKSA-N 1 0 396.329 2.750 20 0 GFADRO C[C@H](C(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C)c1cccc(Br)c1 ZINC000462543784 564846353 /nfs/dbraw/zinc/84/63/53/564846353.db2.gz LPASSAFCJPFYSP-KGLIPLIRSA-N 1 0 383.330 2.856 20 0 GFADRO C[C@@H](C(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C)c1cccc(Br)c1 ZINC000462543786 564846374 /nfs/dbraw/zinc/84/63/74/564846374.db2.gz LPASSAFCJPFYSP-ZIAGYGMSSA-N 1 0 383.330 2.856 20 0 GFADRO Cc1cc(Cl)ccc1S(=O)(=O)NCC[NH2+][C@H]1CCCC12CCOCC2 ZINC000556921048 564846718 /nfs/dbraw/zinc/84/67/18/564846718.db2.gz LZQIMUGXDMABFU-KRWDZBQOSA-N 1 0 386.945 2.866 20 0 GFADRO C[C@H](C(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1)c1cccc(Br)c1 ZINC000462550326 564847400 /nfs/dbraw/zinc/84/74/00/564847400.db2.gz KHZWRFRYZODMAO-KGLIPLIRSA-N 1 0 383.330 2.856 20 0 GFADRO Cc1c(S(=O)(=O)NC[C@H]2CCC[C@H]([NH3+])C2)cnn1-c1ccc(Cl)cc1 ZINC000582487546 564849284 /nfs/dbraw/zinc/84/92/84/564849284.db2.gz ZRBAPRBSFCYWGW-ZFWWWQNUSA-N 1 0 382.917 2.630 20 0 GFADRO O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)[C@@H](Oc1ccc(Br)cc1)c1ccccc1 ZINC000495145010 564849656 /nfs/dbraw/zinc/84/96/56/564849656.db2.gz DPAXTLSSIXZQKZ-MLHJIOFPSA-N 1 0 387.277 2.903 20 0 GFADRO COc1cc(C)c(Br)cc1C(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000557010894 564851031 /nfs/dbraw/zinc/85/10/31/564851031.db2.gz ZSZKTENJYIZWMC-ZDUSSCGKSA-N 1 0 399.329 2.683 20 0 GFADRO C[C@H](c1ccc(Br)cc1)N1CCN(C[C@H](O)C[N@H+](C)C2CC2)CC1 ZINC000582574532 564852885 /nfs/dbraw/zinc/85/28/85/564852885.db2.gz GYOUPWOAADCJLR-DNVCBOLYSA-N 1 0 396.373 2.583 20 0 GFADRO C[C@@H](c1ccc(Br)cc1)N1CCN(C[C@H](O)C[N@H+](C)C2CC2)CC1 ZINC000582574534 564853012 /nfs/dbraw/zinc/85/30/12/564853012.db2.gz GYOUPWOAADCJLR-HNAYVOBHSA-N 1 0 396.373 2.583 20 0 GFADRO CCOc1cc(C[NH2+][C@@H]2CC(=O)N3CCCC[C@H]23)cc(Br)c1O ZINC000582591708 564853855 /nfs/dbraw/zinc/85/38/55/564853855.db2.gz GHKYGEXQBFEMAY-ZIAGYGMSSA-N 1 0 383.286 2.796 20 0 GFADRO C[C@@H]([NH2+]CCNc1cccc(Br)c1)c1cccc(S(N)(=O)=O)c1 ZINC000495421379 564853811 /nfs/dbraw/zinc/85/38/11/564853811.db2.gz QDTHJTDKLNMTRW-GFCCVEGCSA-N 1 0 398.326 2.859 20 0 GFADRO Cc1cc(Br)cn2cc(CC[NH2+]C[C@@](C)(O)C(F)(F)F)nc12 ZINC000582602140 564854070 /nfs/dbraw/zinc/85/40/70/564854070.db2.gz KZSCFYXOYHNSQY-CYBMUJFWSA-N 1 0 380.208 2.851 20 0 GFADRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1cc2c(c(Br)c1)OCO2 ZINC000557115818 564854283 /nfs/dbraw/zinc/85/42/83/564854283.db2.gz CVARWWJFQGXLKS-DGCLKSJQSA-N 1 0 381.270 2.877 20 0 GFADRO CS[C@H]1CN(C(=O)C2=Cc3cc(Br)ccc3OC2)C[C@@H]1[NH+](C)C ZINC000495711745 564856765 /nfs/dbraw/zinc/85/67/65/564856765.db2.gz HEPBQGFZUSIPDC-HOCLYGCPSA-N 1 0 397.338 2.729 20 0 GFADRO CS[C@@H]1CN(C(=O)Cc2cc(Br)ccc2F)C[C@@H]1[NH+](C)C ZINC000495725641 564857218 /nfs/dbraw/zinc/85/72/18/564857218.db2.gz BOWMJZOJJONJGP-UONOGXRCSA-N 1 0 375.307 2.635 20 0 GFADRO C[C@@H]1[C@H](C)N(Cc2noc(Cc3ccc(Br)cc3)n2)CC[N@H+]1C ZINC000557181659 564857786 /nfs/dbraw/zinc/85/77/86/564857786.db2.gz WGRKGQWRYVAZJD-OLZOCXBDSA-N 1 0 379.302 2.947 20 0 GFADRO C[C@@H](CNc1ncnc2ccc(I)cc21)[N@H+](C)C1CC1 ZINC000462813160 564859185 /nfs/dbraw/zinc/85/91/85/564859185.db2.gz QHSVCOJWBWMJPP-JTQLQIEISA-N 1 0 382.249 3.129 20 0 GFADRO CO[C@@H]1CCC[C@H]1C[NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000582720850 564859121 /nfs/dbraw/zinc/85/91/21/564859121.db2.gz JXTKRPFZUHDONS-SGIREYDYSA-N 1 0 376.266 2.733 20 0 GFADRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](Nc2cnn(C)c(=O)c2Br)C1 ZINC000496770936 564861018 /nfs/dbraw/zinc/86/10/18/564861018.db2.gz OAVBXPVOVWERGO-JSGCOSHPSA-N 1 0 377.286 2.790 20 0 GFADRO O=C(CCOc1ccc(Br)cc1F)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000462880390 564861513 /nfs/dbraw/zinc/86/15/13/564861513.db2.gz WXQHMOPMDCGCPF-DZGCQCFKSA-N 1 0 385.277 2.861 20 0 GFADRO Cn1ncc(NCc2ccccc2C[NH+]2CCCC2)c(Br)c1=O ZINC000496707129 564861659 /nfs/dbraw/zinc/86/16/59/564861659.db2.gz MQXCEPASHCNDTO-UHFFFAOYSA-N 1 0 377.286 2.751 20 0 GFADRO O=C(COc1ccc(Br)cc1Cl)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000462891975 564862360 /nfs/dbraw/zinc/86/23/60/564862360.db2.gz BNMQMDVWMASQEI-GXTWGEPZSA-N 1 0 387.705 2.986 20 0 GFADRO C[C@H](CC(=O)N(C)C)[NH2+][C@@H](C)c1ccc(Br)cc1OCCCO ZINC000462947260 564863838 /nfs/dbraw/zinc/86/38/38/564863838.db2.gz QUIGHHDQGVCDRJ-OLZOCXBDSA-N 1 0 387.318 2.728 20 0 GFADRO C[C@H]1C[N@H+](C)C[C@@H]1c1nc(COc2ccc(I)cc2)no1 ZINC000463057135 564868204 /nfs/dbraw/zinc/86/82/04/564868204.db2.gz VPMSUMAUDYJVSH-GWCFXTLKSA-N 1 0 399.232 2.918 20 0 GFADRO Cc1nc(NC(=O)C[C@@H](C)[C@H]2CCC[NH2+]C2)ccc1I ZINC000463140697 564870725 /nfs/dbraw/zinc/87/07/25/564870725.db2.gz HMYJAIILLQRNJB-PWSUYJOCSA-N 1 0 387.265 2.959 20 0 GFADRO CCC[C@@H](C(=O)N[C@H]1CCN(c2ccc(Br)c(C)c2)C1=O)[NH+](C)C ZINC000463173028 564871846 /nfs/dbraw/zinc/87/18/46/564871846.db2.gz VKXCUCFTWYDYBD-HOTGVXAUSA-N 1 0 396.329 2.709 20 0 GFADRO OC[C@H](C[NH2+]C1CCN(CC(F)F)CC1)Cc1ccc(Br)cc1 ZINC000463250500 564873878 /nfs/dbraw/zinc/87/38/78/564873878.db2.gz MHWGGDYRDFZGSH-AWEZNQCLSA-N 1 0 391.300 2.919 20 0 GFADRO CC[N@H+](C)C[C@H]1CCN(C(=O)NCc2cc(Br)cc3c2OCC3)C1 ZINC000463255116 564874634 /nfs/dbraw/zinc/87/46/34/564874634.db2.gz BGHDJIMAUJREFX-CYBMUJFWSA-N 1 0 396.329 2.867 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)N1CCC(F)(F)[C@H](CO)C1)c1ccc(Cl)cc1 ZINC000583118025 564876500 /nfs/dbraw/zinc/87/65/00/564876500.db2.gz PMNIYIZRNYTGPR-DZGCQCFKSA-N 1 0 375.847 2.602 20 0 GFADRO C[C@H](CNS(=O)(=O)Cc1ccccc1Br)[N@@H+]1CCC[C@H](C)C1 ZINC000557797765 564877056 /nfs/dbraw/zinc/87/70/56/564877056.db2.gz ZHOAWRAVSAEBNZ-UONOGXRCSA-N 1 0 389.359 2.989 20 0 GFADRO COC(=O)[C@@H](CC(C)C)NC(=O)C[N@H+](C)CCc1cccc(Br)c1 ZINC000463418704 564880218 /nfs/dbraw/zinc/88/02/18/564880218.db2.gz RLQXKXXXVIXGSH-MRXNPFEDSA-N 1 0 399.329 2.627 20 0 GFADRO C[C@H]1CN(C(=O)c2c(Cl)cccc2S(C)(=O)=O)CCN(C2CCC2)C1 ZINC000557840468 564880939 /nfs/dbraw/zinc/88/09/39/564880939.db2.gz ZSKJJNNZBDZDNA-CYBMUJFWSA-N 1 0 384.929 2.690 20 0 GFADRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1S(=O)(=O)c1cccc(Br)c1F ZINC000557852325 564881382 /nfs/dbraw/zinc/88/13/82/564881382.db2.gz DYEJVSYIHQYQES-AAEUAGOBSA-N 1 0 391.306 2.836 20 0 GFADRO C[NH+]1CCC(NC(=O)c2c(Cl)cccc2I)CC1 ZINC000463520601 564883678 /nfs/dbraw/zinc/88/36/78/564883678.db2.gz DPHKYQYTBBSWBB-UHFFFAOYSA-N 1 0 378.641 2.769 20 0 GFADRO OC1(C[NH2+]CC2(c3cccc(Br)c3)CCOCC2)CCOCC1 ZINC000583300595 564885497 /nfs/dbraw/zinc/88/54/97/564885497.db2.gz LMSNXPGWGRYCHG-UHFFFAOYSA-N 1 0 384.314 2.628 20 0 GFADRO CC[C@H](C(=O)NCc1cc(Br)c2c(c1)OCCO2)[NH+](CC)CC ZINC000530571489 564887988 /nfs/dbraw/zinc/88/79/88/564887988.db2.gz YEHNDAGRTMBROI-CQSZACIVSA-N 1 0 385.302 2.957 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)CCNC(=O)c1cccs1)c1ccc(Cl)cc1 ZINC000530589459 564888169 /nfs/dbraw/zinc/88/81/69/564888169.db2.gz ONRWCXVQAKDYNH-OAHLLOKOSA-N 1 0 379.913 2.941 20 0 GFADRO CC(C)[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2nc(-c3cccs3)cs2)C1 ZINC000530606254 564888562 /nfs/dbraw/zinc/88/85/62/564888562.db2.gz JQPKVRVZHSUTGK-GFCCVEGCSA-N 1 0 378.523 2.657 20 0 GFADRO COc1nc(C)c(Br)cc1C(=O)N1CC[N@@H+]([C@@H]2C[C@H]2C)C[C@@H](C)C1 ZINC000558020473 564888690 /nfs/dbraw/zinc/88/86/90/564888690.db2.gz AZFRJMYAFMCSMX-XHBSWPGZSA-N 1 0 396.329 2.963 20 0 GFADRO C[NH+](C)Cc1ccnc(NC(=O)CNC(=O)c2ccc(Cl)cc2Cl)c1 ZINC000530658904 564891038 /nfs/dbraw/zinc/89/10/38/564891038.db2.gz UXCLEZOBIIWDLU-UHFFFAOYSA-N 1 0 381.263 2.819 20 0 GFADRO CCc1sc(C(=O)NC2(CCO)CC[NH+](C)CC2)cc1Br ZINC000498197985 564891132 /nfs/dbraw/zinc/89/11/32/564891132.db2.gz FHWMZFIDFUNZRB-UHFFFAOYSA-N 1 0 375.332 2.650 20 0 GFADRO C[C@]1([NH3+])CCCC[C@@H]1C(=O)NCCCNC(=O)c1ccc(Br)cc1 ZINC000498207143 564891802 /nfs/dbraw/zinc/89/18/02/564891802.db2.gz ALRNXGWIQUMHKL-QAPCUYQASA-N 1 0 396.329 2.593 20 0 GFADRO COC(=O)CN(CCc1ccc(Cl)cc1Cl)C(=O)C[C@H]1CCC[NH2+]C1 ZINC000583451391 564892321 /nfs/dbraw/zinc/89/23/21/564892321.db2.gz SYMJDIZASQUHGA-CYBMUJFWSA-N 1 0 387.307 2.927 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)C2=Cc3cc(Br)ccc3OC2)C[N@@H+]1C1CC1 ZINC000530767242 564894375 /nfs/dbraw/zinc/89/43/75/564894375.db2.gz GXPMHUOJLPIGNV-ABAIWWIYSA-N 1 0 377.282 2.966 20 0 GFADRO CC(=O)NCC[C@@H]1CCC[N@H+](Cc2cc3c(cc2Br)OCO3)C1 ZINC000558152992 564894652 /nfs/dbraw/zinc/89/46/52/564894652.db2.gz UPCGYGSURKZHIZ-ZDUSSCGKSA-N 1 0 383.286 2.916 20 0 GFADRO CC(C)(CNS(=O)(=O)c1ccc(OCC(F)F)cc1)[NH+]1CCCCC1 ZINC000558156303 564894891 /nfs/dbraw/zinc/89/48/91/564894891.db2.gz FWKSNVZKLMBOMR-UHFFFAOYSA-N 1 0 376.469 2.873 20 0 GFADRO Cc1cc(N2CCC[C@H]([NH2+][C@H]3CN(C)C[C@@H]3C)C2=O)ccc1Br ZINC000464074542 564895223 /nfs/dbraw/zinc/89/52/23/564895223.db2.gz VJJWFIDZPLIQGL-JQFCIGGWSA-N 1 0 380.330 2.793 20 0 GFADRO C[N@H+](CCC(=O)NC(=O)NCC(F)(F)F)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000558181722 564895590 /nfs/dbraw/zinc/89/55/90/564895590.db2.gz LQLHWALIDNMIRT-AOOOYVTPSA-N 1 0 377.329 2.818 20 0 GFADRO CCC[C@H]1CN(S(=O)(=O)c2c(F)cccc2Cl)CCN1CCOC ZINC000464203262 564898590 /nfs/dbraw/zinc/89/85/90/564898590.db2.gz AZFJSHARDLMTFK-ZDUSSCGKSA-N 1 0 378.897 2.601 20 0 GFADRO CC[N@@H+]1C[C@@H](C)N(C(=O)c2csc(I)c2)C[C@@H]1C ZINC000498554916 564901827 /nfs/dbraw/zinc/90/18/27/564901827.db2.gz IWPBXSBDSYFMIO-VHSXEESVSA-N 1 0 378.279 2.907 20 0 GFADRO CC[N@@H+]1C[C@H](C)N(C(=O)c2ccc(I)c(F)c2)C[C@H]1C ZINC000498556749 564902111 /nfs/dbraw/zinc/90/21/11/564902111.db2.gz RDGUPMZWBKFSBY-MNOVXSKESA-N 1 0 390.240 2.985 20 0 GFADRO CC[NH+](CC)CCS(=O)(=O)N[C@H]1C[C@H]1c1cccc(Br)c1 ZINC000558472940 564902238 /nfs/dbraw/zinc/90/22/38/564902238.db2.gz RTLSGYWMDFEIBT-GJZGRUSLSA-N 1 0 375.332 2.566 20 0 GFADRO CC[N@@H+]1C[C@H](C)N(C(=O)c2cc(F)ccc2I)C[C@H]1C ZINC000498573467 564902648 /nfs/dbraw/zinc/90/26/48/564902648.db2.gz UIMHWQSQVBBDGX-MNOVXSKESA-N 1 0 390.240 2.985 20 0 GFADRO CC[C@@H]1CC[N@@H+]([C@@H]2CC(=O)N(c3ccc(I)cc3)C2=O)C1 ZINC000531264892 564905723 /nfs/dbraw/zinc/90/57/23/564905723.db2.gz VGCKWSPXLFIYKC-BXUZGUMPSA-N 1 0 398.244 2.655 20 0 GFADRO CC(=O)N[C@H](CC(=O)N1CC[N@@H+](C)CC[C@@H]1C)c1ccc(Br)cc1 ZINC000498734978 564907081 /nfs/dbraw/zinc/90/70/81/564907081.db2.gz CBXXDVFVAHITKP-SUMWQHHRSA-N 1 0 396.329 2.569 20 0 GFADRO C[N@@H+]1CCC[C@H](CNC(=O)N[C@H]2COc3cc(F)c(Br)cc32)C1 ZINC000558580451 564907206 /nfs/dbraw/zinc/90/72/06/564907206.db2.gz IOMJXNXZNBBAAG-YGRLFVJLSA-N 1 0 386.265 2.663 20 0 GFADRO CC[NH+]1CCN([C@@H](C)CNC(=O)[C@@H](C)c2cccc(Br)c2)CC1 ZINC000464551914 564910112 /nfs/dbraw/zinc/91/01/12/564910112.db2.gz CYLOZUXDMLXUTD-GJZGRUSLSA-N 1 0 382.346 2.695 20 0 GFADRO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]CC[C@H]1COc2ccccc2O1 ZINC000583918836 564912791 /nfs/dbraw/zinc/91/27/91/564912791.db2.gz TUIJKGGTOHHDPC-ZFWWWQNUSA-N 1 0 393.281 2.819 20 0 GFADRO CC[NH+](CC)[C@H](CNS(=O)(=O)c1ccc(C(=O)OC)s1)CC(C)C ZINC000531583601 564914487 /nfs/dbraw/zinc/91/44/87/564914487.db2.gz DWDWJQMUBSCSLU-ZDUSSCGKSA-N 1 0 376.544 2.570 20 0 GFADRO CNC(=O)[C@H](C)C[N@H+](C)[C@H]1CCCN(c2ccc(Br)c(C)c2)C1=O ZINC000464686670 564915564 /nfs/dbraw/zinc/91/55/64/564915564.db2.gz IKBKOHLLCJJPIR-CJNGLKHVSA-N 1 0 396.329 2.567 20 0 GFADRO C[NH+](C)C[C@@H]1CCCCN1C(=O)c1cc(I)ccc1F ZINC000531628460 564916201 /nfs/dbraw/zinc/91/62/01/564916201.db2.gz MUBMXQSLKXTVOF-LBPRGKRZSA-N 1 0 390.240 2.987 20 0 GFADRO CCC[N@H+](CC)CCNC(=O)C(=O)Nc1cc(C)c(Br)cc1F ZINC000499061982 564916646 /nfs/dbraw/zinc/91/66/46/564916646.db2.gz DVMNGNMCTDUBLB-UHFFFAOYSA-N 1 0 388.281 2.683 20 0 GFADRO O=C(NC[C@@H]1CCN(c2cccc(Br)c2)C1)[C@@H]1CCCCC[NH2+]1 ZINC000584055852 564919077 /nfs/dbraw/zinc/91/90/77/564919077.db2.gz SQVWJVQCAIYMON-YOEHRIQHSA-N 1 0 380.330 2.924 20 0 GFADRO [NH3+][C@H]1CCCC[C@@H]1CC(=O)Nc1ncn(Cc2cccc(Br)c2)n1 ZINC000584113746 564921741 /nfs/dbraw/zinc/92/17/41/564921741.db2.gz GPMCJVBRNMCMRH-HIFRSBDPSA-N 1 0 392.301 2.935 20 0 GFADRO CC(C)C[N@@H+]1CC[C@H](CNc2ccc(S(N)(=O)=O)cc2C(F)(F)F)C1 ZINC000465054796 564922491 /nfs/dbraw/zinc/92/24/91/564922491.db2.gz FQGAVPMIUJZGQT-GFCCVEGCSA-N 1 0 379.448 2.743 20 0 GFADRO O=C(c1cc(I)ccc1F)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000531888903 564924155 /nfs/dbraw/zinc/92/41/55/564924155.db2.gz OGFAEKAYBMCZCC-LBPRGKRZSA-N 1 0 388.224 2.741 20 0 GFADRO NC(=O)c1ncc(Br)cc1N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000584198030 564924876 /nfs/dbraw/zinc/92/48/76/564924876.db2.gz PGKSUNSSQZMXQG-AWEZNQCLSA-N 1 0 375.270 2.629 20 0 GFADRO C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CCN1CCSCC1 ZINC000531973697 564925749 /nfs/dbraw/zinc/92/57/49/564925749.db2.gz VRERWJFUUKZHOP-ZDUSSCGKSA-N 1 0 386.359 2.805 20 0 GFADRO COCCN(CC[NH+](C)C)Cc1nc(-c2cccc(Br)c2)c[nH]1 ZINC000584259430 564928033 /nfs/dbraw/zinc/92/80/33/564928033.db2.gz MQLHSOFBZMXDQQ-UHFFFAOYSA-N 1 0 381.318 2.849 20 0 GFADRO Cc1ccc(C(=O)N2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)cc1Br ZINC000532088561 564929135 /nfs/dbraw/zinc/92/91/35/564929135.db2.gz LIPPYKMCUCJTCA-QGZVFWFLSA-N 1 0 394.357 2.998 20 0 GFADRO CC[NH+](CC)[C@H]1CCN(C(=O)NCc2cn3cc(Br)ccc3n2)C1 ZINC000465706044 564931315 /nfs/dbraw/zinc/93/13/15/564931315.db2.gz VGHNRHOSLRIUAW-HNNXBMFYSA-N 1 0 394.317 2.723 20 0 GFADRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)NCCc1ccccc1Br ZINC000465815028 564931898 /nfs/dbraw/zinc/93/18/98/564931898.db2.gz NGBSWBKRAUDAMZ-MRXNPFEDSA-N 1 0 398.345 2.744 20 0 GFADRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)NCCc1ccccc1Br ZINC000465815026 564932031 /nfs/dbraw/zinc/93/20/31/564932031.db2.gz NGBSWBKRAUDAMZ-INIZCTEOSA-N 1 0 398.345 2.744 20 0 GFADRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)NCc1cccc(Cl)c1Cl ZINC000559631128 564937171 /nfs/dbraw/zinc/93/71/71/564937171.db2.gz GIAYCKMWBOECLS-LBPRGKRZSA-N 1 0 386.323 2.798 20 0 GFADRO C[C@@H](CNC(=O)N1CC[N@H+](C)CC[C@H]1C)Oc1cccc(Br)c1 ZINC000466304936 564937413 /nfs/dbraw/zinc/93/74/13/564937413.db2.gz DWWXXULXENILBU-KGLIPLIRSA-N 1 0 384.318 2.952 20 0 GFADRO C[C@@H](CNC(=O)N1CC[N@H+](C)CC[C@@H]1C)Oc1cccc(Br)c1 ZINC000466304935 564937761 /nfs/dbraw/zinc/93/77/61/564937761.db2.gz DWWXXULXENILBU-KBPBESRZSA-N 1 0 384.318 2.952 20 0 GFADRO C[C@H]([NH2+]C[C@@H](CO)Cc1ccccc1Br)C(C)(C)n1cncn1 ZINC000559901414 564941156 /nfs/dbraw/zinc/94/11/56/564941156.db2.gz TYJSKSGMKQZHAP-KBPBESRZSA-N 1 0 381.318 2.605 20 0 GFADRO C[C@H]1CC[N@H+](C)CCN1C(=O)Nc1ccnn1-c1ccc(Br)cn1 ZINC000500199867 564947589 /nfs/dbraw/zinc/94/75/89/564947589.db2.gz OBFSJSPWFYYFMA-LBPRGKRZSA-N 1 0 393.289 2.588 20 0 GFADRO COc1cc(C[NH2+]C2CCN(C(=O)C3CC3)CC2)c(Br)cc1O ZINC000500281801 564949756 /nfs/dbraw/zinc/94/97/56/564949756.db2.gz YZXPTCKREOUALD-UHFFFAOYSA-N 1 0 383.286 2.654 20 0 GFADRO C[NH+](C)[C@@H]1CCN(c2ccc(NC(=O)COc3ccsc3Cl)nc2)C1 ZINC000560108771 564950206 /nfs/dbraw/zinc/95/02/06/564950206.db2.gz ZOXOJBCCBRMQAY-CYBMUJFWSA-N 1 0 380.901 2.954 20 0 GFADRO C/C(=C/c1ccccc1C(F)(F)F)C[NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000500426749 564953029 /nfs/dbraw/zinc/95/30/29/564953029.db2.gz ZBGGOTSVGLDUJJ-XXYUJHKVSA-N 1 0 376.444 2.980 20 0 GFADRO C[C@H](Oc1ccc(F)cc1Br)C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000467029127 564953565 /nfs/dbraw/zinc/95/35/65/564953565.db2.gz PUYKIMHIPREKMZ-PGUXBMHVSA-N 1 0 385.277 2.954 20 0 GFADRO C[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)NCC1([NH+](C)C)CCC1 ZINC000500462169 564954658 /nfs/dbraw/zinc/95/46/58/564954658.db2.gz MBYHSHFQOVXTBN-GFCCVEGCSA-N 1 0 386.323 2.641 20 0 GFADRO Cc1c(Br)cc(C[N@@H+](C)CC(C)(CO)CO)cc1Br ZINC000560262107 564955406 /nfs/dbraw/zinc/95/54/06/564955406.db2.gz JNOCAPNGBREOBF-UHFFFAOYSA-N 1 0 395.135 2.943 20 0 GFADRO O=S(=O)(Cc1ccc(Br)c(F)c1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000560271786 564955618 /nfs/dbraw/zinc/95/56/18/564955618.db2.gz JJGYCUUKXFRZFO-ZDUSSCGKSA-N 1 0 391.306 2.588 20 0 GFADRO CS(=O)(=O)NC[C@@H]1CCC[C@@H]1[NH2+]Cc1cc(Cl)ccc1OCC1CC1 ZINC000500507022 564956104 /nfs/dbraw/zinc/95/61/04/564956104.db2.gz GTPUWDKDNVNCOV-YOEHRIQHSA-N 1 0 386.945 2.936 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000467092505 564956330 /nfs/dbraw/zinc/95/63/30/564956330.db2.gz NWEYXRFXQVFHRI-IUODEOHRSA-N 1 0 394.313 2.603 20 0 GFADRO CS(=O)(=O)NC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(Cl)cc1Br ZINC000500550560 564957073 /nfs/dbraw/zinc/95/70/73/564957073.db2.gz ZOSIGICBSQEWJN-FZMZJTMJSA-N 1 0 395.750 2.910 20 0 GFADRO C[N@H+](CCC(=O)Nc1c(Cl)cccc1Cl)C[C@H]1CCS(=O)(=O)C1 ZINC000533291787 564960200 /nfs/dbraw/zinc/96/02/00/564960200.db2.gz FWVPYDBNLGOMNN-LLVKDONJSA-N 1 0 379.309 2.689 20 0 GFADRO O=C(C[N@@H+](Cc1cccc(Br)c1)C1CCOCC1)NCC1CC1 ZINC000467291823 564960274 /nfs/dbraw/zinc/96/02/74/564960274.db2.gz PKXJBOQCGLXAEL-UHFFFAOYSA-N 1 0 381.314 2.956 20 0 GFADRO CCC[N@H+](C)C[C@@H]1CCN(Cc2cc(=O)n3cc(Br)ccc3n2)C1 ZINC000533310129 564960616 /nfs/dbraw/zinc/96/06/16/564960616.db2.gz IIPLVQGMLCRKCP-AWEZNQCLSA-N 1 0 393.329 2.621 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)c1cc(Br)cnc1OCC1CC1 ZINC000560444208 564961707 /nfs/dbraw/zinc/96/17/07/564961707.db2.gz ROSWXSKUUPYEHU-CYBMUJFWSA-N 1 0 380.286 2.599 20 0 GFADRO COCC[C@H](CO)[NH2+][C@H](C)CCc1ccc(I)cc1 ZINC000467445361 564963654 /nfs/dbraw/zinc/96/36/54/564963654.db2.gz AGGLWWRSNNAVLT-IUODEOHRSA-N 1 0 377.266 2.599 20 0 GFADRO CCOc1c(Cl)cc(NC(=O)C(=O)N2CCC[C@@H]([NH+](C)C)C2)cc1Cl ZINC000467594280 564968167 /nfs/dbraw/zinc/96/81/67/564968167.db2.gz LXVHITUZERFDGT-GFCCVEGCSA-N 1 0 388.295 2.883 20 0 GFADRO CC[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)N[C@H](C)CC[NH+](C)C ZINC000560670393 564971552 /nfs/dbraw/zinc/97/15/52/564971552.db2.gz PCTPRGZHSZZVJG-DOMZBBRYSA-N 1 0 388.339 2.887 20 0 GFADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)Nc1cncnc1 ZINC000467779637 564972767 /nfs/dbraw/zinc/97/27/67/564972767.db2.gz CXJBSHVBEMUNTN-UHFFFAOYSA-N 1 0 378.274 2.835 20 0 GFADRO C[N@H+](CC1CC1)C[C@H]1CCN(S(=O)(=O)c2ccc(Br)cc2)C1 ZINC000467801615 564973403 /nfs/dbraw/zinc/97/34/03/564973403.db2.gz VAUMYSVRQSTYLZ-CQSZACIVSA-N 1 0 387.343 2.802 20 0 GFADRO C[NH+]1CCN(c2ccc(Br)cc2NC(=O)c2cncc(F)c2)CC1 ZINC000501207569 564973892 /nfs/dbraw/zinc/97/38/92/564973892.db2.gz HOGALOTUPLQGSB-UHFFFAOYSA-N 1 0 393.260 2.987 20 0 GFADRO C[C@@H](CC[NH+](C)C)NC(=O)N1CCO[C@@H](c2cccc(Br)c2)C1 ZINC000501409717 564978647 /nfs/dbraw/zinc/97/86/47/564978647.db2.gz SVWRKYOUGQEFQY-XJKSGUPXSA-N 1 0 384.318 2.872 20 0 GFADRO CC[NH+]1CCC(NC(=O)CN2Cc3cc(Br)ccc3C[C@@H]2C)CC1 ZINC000501418960 564978941 /nfs/dbraw/zinc/97/89/41/564978941.db2.gz HQPREULBMUSEDY-AWEZNQCLSA-N 1 0 394.357 2.796 20 0 GFADRO CCc1n[nH]c(C(=O)NCCC[N@@H+]2CCc3ccccc3C2)c1Br ZINC000468249243 564981491 /nfs/dbraw/zinc/98/14/91/564981491.db2.gz DNJSKRYYMZIOPB-UHFFFAOYSA-N 1 0 391.313 2.913 20 0 GFADRO COC[C@]1(CNC(=O)NCc2ccc(-c3csc(C)n3)s2)CCC[NH2+]1 ZINC000561148294 564985642 /nfs/dbraw/zinc/98/56/42/564985642.db2.gz OKGVIYDIQATCAG-QGZVFWFLSA-N 1 0 380.539 2.748 20 0 GFADRO C[C@H](CCc1ccc(Br)cc1)NC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC000502034251 564990366 /nfs/dbraw/zinc/99/03/66/564990366.db2.gz SHPIWCCZYXYBFN-LSDHHAIUSA-N 1 0 383.330 2.855 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCCN(S(=O)(=O)N(C)C)C1)c1cc(Cl)cc(Cl)c1 ZINC000561349635 564992144 /nfs/dbraw/zinc/99/21/44/564992144.db2.gz XSELUZUSVVAZHB-XHDPSFHLSA-N 1 0 380.341 2.915 20 0 GFADRO CC[C@@H](C(=O)Nc1cc(Br)cc(C(=O)N2CCCC2)c1)[NH+](C)C ZINC000468739779 564992184 /nfs/dbraw/zinc/99/21/84/564992184.db2.gz MDKFAVFXHFSLEM-HNNXBMFYSA-N 1 0 382.302 2.964 20 0 GFADRO O=C([C@H]1CC(=O)Nc2ccc(Br)cc21)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000468751265 564992201 /nfs/dbraw/zinc/99/22/01/564992201.db2.gz AAJBNUTXFSXOPE-HIFRSBDPSA-N 1 0 392.297 2.572 20 0 GFADRO O=C([C@@H]1C[N@@H+]2CCN1CCC2)N1CCC[C@H]1c1cc(F)cc(Br)c1 ZINC000468792613 564994677 /nfs/dbraw/zinc/99/46/77/564994677.db2.gz BNHIXAKXVMKYAZ-IRXDYDNUSA-N 1 0 396.304 2.642 20 0 GFADRO CC[C@@H](C)[N@H+](C)CCNC(=O)[C@H]1CC(=O)Nc2ccc(Br)cc21 ZINC000468830214 564995143 /nfs/dbraw/zinc/99/51/43/564995143.db2.gz DCUMCJDMXQUKMI-RISCZKNCSA-N 1 0 382.302 2.721 20 0 GFADRO C[C@H](NC(=O)C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C)c1cccc(Cl)c1Cl ZINC000502299262 564995654 /nfs/dbraw/zinc/99/56/54/564995654.db2.gz WLUJGUKWXQIJKE-ZETOZRRWSA-N 1 0 384.307 2.770 20 0 GFADRO CS(=O)(=O)c1ccc(F)c(C[NH2+]C2CCN(CCC(F)(F)F)CC2)c1 ZINC000502377232 564997000 /nfs/dbraw/zinc/99/70/00/564997000.db2.gz SJYYNZIFYHBZRH-UHFFFAOYSA-N 1 0 382.423 2.736 20 0 GFADRO C[C@@H]([NH2+]C[C@H](O)CS(=O)(=O)c1cccs1)c1cnn(C2CCCC2)c1 ZINC000502385777 564997397 /nfs/dbraw/zinc/99/73/97/564997397.db2.gz FDMZURKMXCVANI-CJNGLKHVSA-N 1 0 383.539 2.545 20 0 GFADRO CC[C@@H]1C[N@H+](CCCOc2cccc(I)c2)C[C@H]1O ZINC000534863383 564997870 /nfs/dbraw/zinc/99/78/70/564997870.db2.gz BDFNJCGHJNGAEI-IUODEOHRSA-N 1 0 375.250 2.763 20 0 GFADRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)[C@@H](C)Cc3ccc(Br)cc3)[C@H]2C1 ZINC000502634670 565002794 /nfs/dbraw/zinc/00/27/94/565002794.db2.gz MPTLWFQJRKSPAT-JCGIZDLHSA-N 1 0 395.341 2.949 20 0 GFADRO CC[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000561608728 565003579 /nfs/dbraw/zinc/00/35/79/565003579.db2.gz HYNOCJUVTVXSAB-GJZGRUSLSA-N 1 0 386.323 2.593 20 0 GFADRO Cc1ccc(C(=O)N2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)c(Br)c1 ZINC000535096673 565004663 /nfs/dbraw/zinc/00/46/63/565004663.db2.gz QHRMVEVHINRMNC-MRXNPFEDSA-N 1 0 394.357 2.998 20 0 GFADRO CC[NH+](CC)CCOC1CCN(S(=O)(=O)c2cc(F)cc(Cl)c2)CC1 ZINC000535142822 565005671 /nfs/dbraw/zinc/00/56/71/565005671.db2.gz PJIXZVNTBQHZMX-UHFFFAOYSA-N 1 0 392.924 2.991 20 0 GFADRO C[NH+](C)CCOc1cccc(CNS(=O)(=O)c2cc(F)cc(Cl)c2)c1 ZINC000535159852 565006598 /nfs/dbraw/zinc/00/65/98/565006598.db2.gz SOTZJRTXZWVWDZ-UHFFFAOYSA-N 1 0 386.876 2.898 20 0 GFADRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]CCOc1ccc(Cl)cc1Br ZINC000502856909 565007509 /nfs/dbraw/zinc/00/75/09/565007509.db2.gz OOQIHBKBJKEUJJ-YPMHNXCESA-N 1 0 375.694 2.986 20 0 GFADRO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)C[NH2+][C@H]1CCC[C@@H]1CCO ZINC000502867397 565007575 /nfs/dbraw/zinc/00/75/75/565007575.db2.gz CVAVXBNTXHPXBS-YGRLFVJLSA-N 1 0 389.279 2.859 20 0 GFADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)NC[C@]1(C)CCOC1 ZINC000502890182 565008382 /nfs/dbraw/zinc/00/83/82/565008382.db2.gz VTOMQFKNAVODMZ-SFHVURJKSA-N 1 0 398.345 2.949 20 0 GFADRO CC[C@@H](C(=O)N[C@@H](CO)c1ccc(Br)c(F)c1)[NH+](CC)CC ZINC000561776899 565009127 /nfs/dbraw/zinc/00/91/27/565009127.db2.gz SOAHNLKLSDBVRS-GJZGRUSLSA-N 1 0 375.282 2.858 20 0 GFADRO C[C@H]1CC[N@H+](C)CCN1C(=O)N[C@@H]1CCN(c2ccccc2Br)C1 ZINC000502981461 565010028 /nfs/dbraw/zinc/01/00/28/565010028.db2.gz JHBHPLUABKPMAM-LSDHHAIUSA-N 1 0 395.345 2.763 20 0 GFADRO COC(=O)[C@]1(C)C[N@H+](CCC(=O)Nc2ccc(Br)cc2)C[C@H]1C ZINC000503205909 565013563 /nfs/dbraw/zinc/01/35/63/565013563.db2.gz PQZWRDDXHTWUQT-SJKOYZFVSA-N 1 0 383.286 2.909 20 0 GFADRO COC(=O)[C@]1(C)C[N@H+](CC(=O)NCCc2cccc(Cl)c2Cl)C[C@H]1C ZINC000503237647 565015266 /nfs/dbraw/zinc/01/52/66/565015266.db2.gz BLFXHEAEEJFYKC-KZULUSFZSA-N 1 0 387.307 2.783 20 0 GFADRO CC[C@@H]1C[N@H+](C[C@@H](O)COc2ccc(Cl)cc2Br)C[C@H]1O ZINC000535575046 565016303 /nfs/dbraw/zinc/01/63/03/565016303.db2.gz MBBRFTFWICBWHY-MPKXVKKWSA-N 1 0 378.694 2.545 20 0 GFADRO CCS[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1cc(S(C)(=O)=O)ccc1F ZINC000469781648 565027389 /nfs/dbraw/zinc/02/73/89/565027389.db2.gz WMLIOQKIYJITSK-GOEBONIOSA-N 1 0 388.530 2.822 20 0 GFADRO O=S(=O)(c1ccc(Cl)s1)N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000469810723 565027729 /nfs/dbraw/zinc/02/77/29/565027729.db2.gz SATWHJRQJOAXJS-CYBMUJFWSA-N 1 0 378.947 2.667 20 0 GFADRO C[NH+](C)CCc1ccc(CNC(=O)c2cc[nH]c(=O)c2Br)cc1 ZINC000469828375 565028862 /nfs/dbraw/zinc/02/88/62/565028862.db2.gz UACFYAUUXSBYII-UHFFFAOYSA-N 1 0 378.270 2.584 20 0 GFADRO COC(=O)[C@H](c1cc(Cl)cc(Cl)c1)N1CCC[N@@H+]([C@H](C)CO)CC1 ZINC000469866387 565030639 /nfs/dbraw/zinc/03/06/39/565030639.db2.gz PWZWTIVXCAWHLS-WBMJQRKESA-N 1 0 375.296 2.596 20 0 GFADRO CCOc1c(Br)cc(CN2CC[C@@H](OC)C[C@@H]2C[NH3+])cc1OC ZINC000469876591 565030978 /nfs/dbraw/zinc/03/09/78/565030978.db2.gz WNTRWMICUXFTKB-ZIAGYGMSSA-N 1 0 387.318 2.795 20 0 GFADRO COC(=O)CC1([NH2+]CCCc2c(F)cccc2Cl)CCS(=O)(=O)CC1 ZINC000562488738 565031563 /nfs/dbraw/zinc/03/15/63/565031563.db2.gz SINSWFJCCKNYIU-UHFFFAOYSA-N 1 0 391.892 2.512 20 0 GFADRO O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)Nc1ccncc1Br ZINC000469903628 565031605 /nfs/dbraw/zinc/03/16/05/565031605.db2.gz DRDUQMNHALCCHY-OAHLLOKOSA-N 1 0 389.297 2.910 20 0 GFADRO C[C@@H](CO)[N@@H+]1CCCN(C(=O)CCOc2ccc(Cl)c(Cl)c2)CC1 ZINC000470041459 565035669 /nfs/dbraw/zinc/03/56/69/565035669.db2.gz BSJJUPDBMIAOBU-ZDUSSCGKSA-N 1 0 375.296 2.677 20 0 GFADRO C[C@@H](Oc1ccc(Cl)c(Cl)c1)C(=O)N1CCC[N@@H+]([C@@H](C)CO)CC1 ZINC000470049627 565036496 /nfs/dbraw/zinc/03/64/96/565036496.db2.gz GGNHBIVEIFSCLD-QWHCGFSZSA-N 1 0 375.296 2.676 20 0 GFADRO C[C@@H]1C[N@H+](CCCNC(=O)COc2c(Cl)cccc2Cl)CCCO1 ZINC000470055502 565036671 /nfs/dbraw/zinc/03/66/71/565036671.db2.gz JURXOXVYEXBCAC-CYBMUJFWSA-N 1 0 375.296 2.989 20 0 GFADRO CC[NH+]1CCC(CNC(=O)c2cc(OC)c(OC)cc2Br)CC1 ZINC000562640181 565037599 /nfs/dbraw/zinc/03/75/99/565037599.db2.gz LGTTVDUWNOKQGW-UHFFFAOYSA-N 1 0 385.302 2.928 20 0 GFADRO CS[C@H]1CN(Cc2nc(-c3cccc(Br)c3)no2)C[C@H]1[NH+](C)C ZINC000536471719 565037731 /nfs/dbraw/zinc/03/77/31/565037731.db2.gz KUNVAEMSTKETCR-KGLIPLIRSA-N 1 0 397.342 2.977 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)NCc2nc3c(cccc3Br)[nH]2)C[N@@H+]1C1CC1 ZINC000562667401 565038098 /nfs/dbraw/zinc/03/80/98/565038098.db2.gz IODLBHHLQVWIGB-MNOVXSKESA-N 1 0 392.301 2.750 20 0 GFADRO CN(C)c1ncc(Br)cc1C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000470164617 565039799 /nfs/dbraw/zinc/03/97/99/565039799.db2.gz VXVKJFGXHNYLPA-AWEZNQCLSA-N 1 0 381.318 2.657 20 0 GFADRO CC(C)[N@H+](C)CC1CCN(C(=O)c2nc3ccc(Br)cn3n2)CC1 ZINC000562735402 565040980 /nfs/dbraw/zinc/04/09/80/565040980.db2.gz VQVFJLYJSWHGRR-UHFFFAOYSA-N 1 0 394.317 2.684 20 0 GFADRO C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+][C@H]1CCC[C@@H]1CNS(C)(=O)=O ZINC000504560539 565041185 /nfs/dbraw/zinc/04/11/85/565041185.db2.gz HLSRNCLEYBRWRL-XPKDYRNWSA-N 1 0 378.460 2.944 20 0 GFADRO CN1CCN(C(=O)Nc2cc(C(F)(F)F)ccc2Br)[C@H](C[NH3+])C1 ZINC000562762603 565042198 /nfs/dbraw/zinc/04/21/98/565042198.db2.gz LEHDTYDEHBQPCA-SNVBAGLBSA-N 1 0 395.223 2.575 20 0 GFADRO CN(C)c1ncc(Br)cc1C(=O)NCC[N@@H+]1CCCC(C)(C)C1 ZINC000470289486 565042511 /nfs/dbraw/zinc/04/25/11/565042511.db2.gz SXSNMZPWFHYLDW-UHFFFAOYSA-N 1 0 383.334 2.762 20 0 GFADRO Cn1cncc1C(=O)N(CC(C)(C)C[NH+](C)C)c1ccc(Br)cn1 ZINC000562764955 565042584 /nfs/dbraw/zinc/04/25/84/565042584.db2.gz OFZSXDSTKOHSHX-UHFFFAOYSA-N 1 0 394.317 2.812 20 0 GFADRO O=C(NCCc1ccc(I)s1)c1ccc2c(c1)C[NH2+]C2 ZINC000470353659 565043683 /nfs/dbraw/zinc/04/36/83/565043683.db2.gz NBFHQRKTTBVFMU-UHFFFAOYSA-N 1 0 398.269 2.928 20 0 GFADRO CN(CCC[NH3+])C(=O)NCc1cc(Br)ccc1Br ZINC000562806266 565043949 /nfs/dbraw/zinc/04/39/49/565043949.db2.gz XGOSFWOWMWTMAK-UHFFFAOYSA-N 1 0 379.096 2.702 20 0 GFADRO O=C(N[C@H](CO)c1ccc(Br)cc1)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000504806597 565044627 /nfs/dbraw/zinc/04/46/27/565044627.db2.gz QRNFIALKLKKQML-NVXWUHKLSA-N 1 0 396.329 2.799 20 0 GFADRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)CC(=O)Nc1cccc(Br)c1 ZINC000536833854 565048479 /nfs/dbraw/zinc/04/84/79/565048479.db2.gz PGZBDDKPGJUETK-GLQYFDAESA-N 1 0 382.302 2.671 20 0 GFADRO O=S(=O)(c1ccc(C[NH2+]C2CC3(C2)CCCCC3)s1)N1CCOCC1 ZINC000562938555 565048546 /nfs/dbraw/zinc/04/85/46/565048546.db2.gz HRNJAQDDZJTTBE-UHFFFAOYSA-N 1 0 384.567 2.972 20 0 GFADRO Cc1cc(S(=O)(=O)N2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)sc1C ZINC000536893838 565049115 /nfs/dbraw/zinc/04/91/15/565049115.db2.gz QBFGHUDXZPDGTO-GJZGRUSLSA-N 1 0 386.583 2.875 20 0 GFADRO O=C(CC[NH2+]CCCS(=O)(=O)c1ccc(Cl)cc1)Nc1cccnc1 ZINC000562998588 565051475 /nfs/dbraw/zinc/05/14/75/565051475.db2.gz MVOKKXUYZDSSSV-UHFFFAOYSA-N 1 0 381.885 2.517 20 0 GFADRO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+]CCC(=O)Nc2cccnc2)c1 ZINC000563006740 565052157 /nfs/dbraw/zinc/05/21/57/565052157.db2.gz BVOIYALHEKWHMQ-UHFFFAOYSA-N 1 0 381.885 2.647 20 0 GFADRO CCCN(CCC[NH+](C)C)C(=O)c1ccc(I)c(O)c1 ZINC000470687083 565052834 /nfs/dbraw/zinc/05/28/34/565052834.db2.gz ARKJVVGMVQWDTQ-UHFFFAOYSA-N 1 0 390.265 2.801 20 0 GFADRO O=C([C@@H]1C[C@]12CCc1cc(Br)ccc12)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000563089184 565055362 /nfs/dbraw/zinc/05/53/62/565055362.db2.gz WTHHCPSMSLPMTF-KUZCPNRJSA-N 1 0 375.310 2.863 20 0 GFADRO C[C@@H]([NH3+])[C@H](C)NC(=O)c1cccn1-c1cccc(I)c1 ZINC000563119057 565056368 /nfs/dbraw/zinc/05/63/68/565056368.db2.gz MRXSWBRHSCOIEZ-MNOVXSKESA-N 1 0 383.233 2.547 20 0 GFADRO C[C@@H](NC(=O)c1cccn1-c1cccc(I)c1)[C@H](C)[NH3+] ZINC000563119059 565056573 /nfs/dbraw/zinc/05/65/73/565056573.db2.gz MRXSWBRHSCOIEZ-WDEREUQCSA-N 1 0 383.233 2.547 20 0 GFADRO COc1cc(C)c(Br)cc1S(=O)(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000563130102 565057013 /nfs/dbraw/zinc/05/70/13/565057013.db2.gz SJPXFUGJLJVSEM-GFCCVEGCSA-N 1 0 391.331 2.577 20 0 GFADRO O=S(=O)(c1ccc2cc(Br)ccc2c1)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000563129378 565057051 /nfs/dbraw/zinc/05/70/51/565057051.db2.gz RVXKNKLRSGLFSO-GJZGRUSLSA-N 1 0 395.322 2.832 20 0 GFADRO OC[C@@H](C[NH2+]C[C@H](O)COc1cc(F)cc(Br)c1)c1ccccc1 ZINC000563142788 565057504 /nfs/dbraw/zinc/05/75/04/565057504.db2.gz PBIBZSLZBXVGQX-PBHICJAKSA-N 1 0 398.272 2.694 20 0 GFADRO O=C(C1=Cc2cc(Br)ccc2OC1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000584345625 565076811 /nfs/dbraw/zinc/07/68/11/565076811.db2.gz HLHINZZKHHVTCV-SFHVURJKSA-N 1 0 377.282 2.827 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)[C@@H]1CCN(c2cc(Cl)ccc2Cl)C1=O ZINC000613659108 565076927 /nfs/dbraw/zinc/07/69/27/565076927.db2.gz GEOWGZQOIMHNOI-NWANDNLSSA-N 1 0 384.307 2.945 20 0 GFADRO CCn1c(CNC(=O)C[C@@H]2CC[N@H+](C)C2)nc2cc(Br)ccc21 ZINC000635848270 565077837 /nfs/dbraw/zinc/07/78/37/565077837.db2.gz BNNSEBVOYHSMJE-LBPRGKRZSA-N 1 0 379.302 2.777 20 0 GFADRO CN(CC1([NH+](C)C)CCC1)C(=O)[C@@H]1CCO[C@H]1c1cncc(Br)c1 ZINC000613800430 565081705 /nfs/dbraw/zinc/08/17/05/565081705.db2.gz YVDAKSCSLSRSEK-CVEARBPZSA-N 1 0 396.329 2.864 20 0 GFADRO C[C@@H](NC(=O)C1(C[NH+](C)C)CC1)c1ccc(Br)cc1OCCCO ZINC000635949745 565083122 /nfs/dbraw/zinc/08/31/22/565083122.db2.gz BLHCLNIBMWEJHS-CYBMUJFWSA-N 1 0 399.329 2.729 20 0 GFADRO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1cc2c(cncc2Br)s1 ZINC000636048198 565088600 /nfs/dbraw/zinc/08/86/00/565088600.db2.gz PWZBZTYVZDIXLZ-NSHDSACASA-N 1 0 398.326 2.635 20 0 GFADRO Cc1[nH]cnc1C(=O)Nc1cc(Br)ccc1N(C)CC[NH+](C)C ZINC000636065765 565089165 /nfs/dbraw/zinc/08/91/65/565089165.db2.gz IOMWZUDNXDELAA-UHFFFAOYSA-N 1 0 380.290 2.731 20 0 GFADRO CS[C@@H]1CN(S(=O)(=O)c2ccc(F)c(Cl)c2)C[C@H]1[NH+]1CCCC1 ZINC000613984306 565089297 /nfs/dbraw/zinc/08/92/97/565089297.db2.gz LFZFDGAEBLMHNI-HUUCEWRRSA-N 1 0 378.922 2.679 20 0 GFADRO O=C(N[C@H]1C[C@@H]([NH+]2CCCC2)C1)c1ccn(-c2cccc(Br)c2)n1 ZINC000636095758 565089993 /nfs/dbraw/zinc/08/99/93/565089993.db2.gz MFRJPYLJNYJMAY-FZNQNYSPSA-N 1 0 389.297 2.991 20 0 GFADRO C[NH+](C)CCN(C(=O)c1cccc(F)c1I)C1CC1 ZINC000584738955 565094902 /nfs/dbraw/zinc/09/49/02/565094902.db2.gz HSSXFGKTFZYZTL-UHFFFAOYSA-N 1 0 376.213 2.597 20 0 GFADRO O=C(c1ccco1)N1CCC([NH2+]Cc2c(F)cncc2Br)CC1 ZINC000657301525 565096174 /nfs/dbraw/zinc/09/61/74/565096174.db2.gz BSCLYOLGVSUQIW-UHFFFAOYSA-N 1 0 382.233 2.971 20 0 GFADRO C[C@H]1CCN(S(=O)(=O)Cc2cc(Cl)ccc2Br)C[C@@H]1C[NH3+] ZINC000584781088 565097485 /nfs/dbraw/zinc/09/74/85/565097485.db2.gz CVIHYQGBKAAEIL-JQWIXIFHSA-N 1 0 395.750 2.849 20 0 GFADRO O=C(NCCC[NH2+]Cc1cn(C2CCC2)nn1)c1cccc(Br)c1 ZINC000657341650 565097633 /nfs/dbraw/zinc/09/76/33/565097633.db2.gz HDWDZGHEQOEUFP-UHFFFAOYSA-N 1 0 392.301 2.675 20 0 GFADRO CN(C)CC[N@H+](C)CCCN(C)C(=O)C1(c2ccc(Br)cc2)CC1 ZINC000685201566 565099834 /nfs/dbraw/zinc/09/98/34/565099834.db2.gz IKBQQKHVYOJWOF-UHFFFAOYSA-N 1 0 396.373 2.823 20 0 GFADRO CC(C)[C@H]([NH2+]CC(=O)Nc1ccccc1Br)[C@H](O)C(F)(F)F ZINC000685413638 565105289 /nfs/dbraw/zinc/10/52/89/565105289.db2.gz ORJRFJGUJZSTKK-STQMWFEESA-N 1 0 383.208 2.925 20 0 GFADRO CO[C@@H](C[NH2+]Cc1nc(-c2ccc(Br)cc2)c[nH]1)[C@H]1CCOC1 ZINC000657540949 565107548 /nfs/dbraw/zinc/10/75/48/565107548.db2.gz IQJWAVXHVUEHNR-BBRMVZONSA-N 1 0 380.286 2.980 20 0 GFADRO CC[C@H]1C[N@H+](C)CCCN1C(=O)c1c2ccc(Br)cc2nn1C ZINC000614330698 565107946 /nfs/dbraw/zinc/10/79/46/565107946.db2.gz MNOIKZPFQJEFQT-ZDUSSCGKSA-N 1 0 379.302 2.892 20 0 GFADRO O=C(NCC[NH2+]Cc1nc2c(s1)CCCC2)c1ccc(Br)cn1 ZINC000657561466 565109278 /nfs/dbraw/zinc/10/92/78/565109278.db2.gz APMLREAVZHEVHR-UHFFFAOYSA-N 1 0 395.326 2.699 20 0 GFADRO CC[NH+](CC)CC[C@@H](CO)NC(=O)c1cc2cc(Br)sc2[nH]1 ZINC000614349393 565109875 /nfs/dbraw/zinc/10/98/75/565109875.db2.gz STNVCJDCCBZALI-NSHDSACASA-N 1 0 388.331 2.815 20 0 GFADRO COc1cc(C[NH2+][C@H](CO)[C@@H]2CCC[C@@H](OC)C2)cc(Br)c1O ZINC000657580337 565109950 /nfs/dbraw/zinc/10/99/50/565109950.db2.gz ZQWMIUCQYDHDLB-UMVBOHGHSA-N 1 0 388.302 2.819 20 0 GFADRO NS(=O)(=O)c1cc(NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)cs1 ZINC000636400707 565110920 /nfs/dbraw/zinc/11/09/20/565110920.db2.gz WBZIUELMFOFWGE-UHFFFAOYSA-N 1 0 379.507 2.634 20 0 GFADRO Cc1nc(C(=O)N2CCC[C@H]([NH+]3CCOCC3)CC2)c(Br)s1 ZINC000614435603 565112057 /nfs/dbraw/zinc/11/20/57/565112057.db2.gz JDKRZFGNISAYTE-LBPRGKRZSA-N 1 0 388.331 2.541 20 0 GFADRO CCOc1ccc(Br)cc1S(=O)(=O)N[C@H](C)C[N@H+](C)C(C)C ZINC000685603670 565114213 /nfs/dbraw/zinc/11/42/13/565114213.db2.gz HOQHWAPLPHPGOI-GFCCVEGCSA-N 1 0 393.347 2.855 20 0 GFADRO CC(C)C[C@H](C[NH2+]Cc1cn2ccc(Br)cc2n1)N1CCOCC1 ZINC000685612647 565115421 /nfs/dbraw/zinc/11/54/21/565115421.db2.gz MBXFBJOVAVGNGQ-QGZVFWFLSA-N 1 0 395.345 2.933 20 0 GFADRO C[NH+](C)C[C@@H](NC(=O)C(=O)NCc1ccoc1)c1ccc(Cl)c(Cl)c1 ZINC000636555320 565115923 /nfs/dbraw/zinc/11/59/23/565115923.db2.gz RDQFANHKQJEMCJ-OAHLLOKOSA-N 1 0 384.263 2.622 20 0 GFADRO CS[C@@H]1CN(S(=O)(=O)c2c(Cl)ccc(F)c2F)C[C@@H]1[NH+]1CCCC1 ZINC000588130588 565127830 /nfs/dbraw/zinc/12/78/30/565127830.db2.gz ZJSNRAZKEMZSAO-QWHCGFSZSA-N 1 0 396.912 2.819 20 0 GFADRO CCc1nnc(CNC(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)s1 ZINC000685932876 565132592 /nfs/dbraw/zinc/13/25/92/565132592.db2.gz ILILBIKJIDXADM-ZDUSSCGKSA-N 1 0 379.555 2.873 20 0 GFADRO CCC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(Br)cc2[nH]c(=O)[nH]c21 ZINC000614793858 565133223 /nfs/dbraw/zinc/13/32/23/565133223.db2.gz MTNPWNAWHZJUBJ-NSHDSACASA-N 1 0 381.274 2.635 20 0 GFADRO CC(C)[C@@H]([NH2+]CC(=O)N1CCN(C)CC1)c1cc(F)cc(Br)c1 ZINC000657856124 565133710 /nfs/dbraw/zinc/13/37/10/565133710.db2.gz LJOLWAVSIRMVGX-QGZVFWFLSA-N 1 0 386.309 2.649 20 0 GFADRO C[C@H](Cn1cncn1)[NH2+]CC1(c2cccc(Br)c2)CCOCC1 ZINC000657851864 565133792 /nfs/dbraw/zinc/13/37/92/565133792.db2.gz IFINGTAJKISKRZ-CQSZACIVSA-N 1 0 379.302 2.767 20 0 GFADRO COC[C@@H](CNC(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1)OC ZINC000637033783 565135189 /nfs/dbraw/zinc/13/51/89/565135189.db2.gz APIXHQVELMCGOA-IUODEOHRSA-N 1 0 378.300 2.557 20 0 GFADRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)C(=O)Nc1cccc(Br)c1F ZINC000657948517 565138932 /nfs/dbraw/zinc/13/89/32/565138932.db2.gz IJQYVRAGFDALRO-NEPJUHHUSA-N 1 0 398.276 2.612 20 0 GFADRO CSc1ccc(Cl)c(NC(=O)C(=O)N2CC[N@@H+](C3CC3)C[C@H](C)C2)c1 ZINC000657977705 565141926 /nfs/dbraw/zinc/14/19/26/565141926.db2.gz ILASEHCKRAWMRV-LBPRGKRZSA-N 1 0 381.929 2.943 20 0 GFADRO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CC[C@H](Oc2cncc(Br)c2)C1 ZINC000615125924 565146380 /nfs/dbraw/zinc/14/63/80/565146380.db2.gz DCHYHBUXVMSKBH-GUTXKFCHSA-N 1 0 382.302 2.697 20 0 GFADRO C[NH+](C)C1CCC(NC(=O)C(=O)Nc2cccc(Br)c2F)CC1 ZINC000658021939 565147178 /nfs/dbraw/zinc/14/71/78/565147178.db2.gz RDZANZYJKAMAID-UHFFFAOYSA-N 1 0 386.265 2.516 20 0 GFADRO CO[C@H](C[NH2+][C@@H](C)CC(=O)Nc1ccc(Br)cc1)[C@H]1CCOC1 ZINC000658074253 565148797 /nfs/dbraw/zinc/14/87/97/565148797.db2.gz SBDZGMSAIXGLDX-HEHGZKQESA-N 1 0 385.302 2.807 20 0 GFADRO O=C(Nc1cccc(Br)c1F)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000658055880 565149010 /nfs/dbraw/zinc/14/90/10/565149010.db2.gz JSCLXVWNLUUSAL-TZMCWYRMSA-N 1 0 398.276 2.660 20 0 GFADRO O=C(Nc1cccc(Br)c1F)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000658055878 565149113 /nfs/dbraw/zinc/14/91/13/565149113.db2.gz JSCLXVWNLUUSAL-OCCSQVGLSA-N 1 0 398.276 2.660 20 0 GFADRO COc1ccc(C[C@H](C)[NH2+]CCNC(=O)c2ccc(Br)cn2)cc1 ZINC000658093051 565149991 /nfs/dbraw/zinc/14/99/91/565149991.db2.gz RXWBDSDXADZKLI-ZDUSSCGKSA-N 1 0 392.297 2.803 20 0 GFADRO C[C@@H](Oc1ccc(Cl)cc1Cl)[C@H](C)[NH2+]C[C@]1(OCCO)CCOC1 ZINC000658147829 565153197 /nfs/dbraw/zinc/15/31/97/565153197.db2.gz HGSKNBSPLOBOFL-OGHNNQOOSA-N 1 0 378.296 2.907 20 0 GFADRO C[C@@H]([NH2+]CCO[C@H]1CC1(F)F)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000658171412 565155069 /nfs/dbraw/zinc/15/50/69/565155069.db2.gz YLXGOAAXLSVACO-KRTXAFLBSA-N 1 0 389.251 2.716 20 0 GFADRO NC(=O)CC[C@H]1CCC[N@H+](C[C@@H](O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000589189263 565155136 /nfs/dbraw/zinc/15/51/36/565155136.db2.gz NAHCOYCLOUFPDO-CHWSQXEVSA-N 1 0 375.296 2.711 20 0 GFADRO CC[C@@H](C)[N@H+](C)CCNC(=O)[C@@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000589180407 565155150 /nfs/dbraw/zinc/15/51/50/565155150.db2.gz DHFCOVWPSALVMH-ZIAGYGMSSA-N 1 0 396.329 2.649 20 0 GFADRO C[NH+](C)C[C@H](NC(=O)NC[C@@]1(O)CCSC1)c1ccc(Cl)c(Cl)c1 ZINC000637472682 565158626 /nfs/dbraw/zinc/15/86/26/565158626.db2.gz HCXDAPMIARIUTG-HOCLYGCPSA-N 1 0 392.352 2.763 20 0 GFADRO O=C(NCc1csc(C(F)(F)F)c1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000637524514 565160325 /nfs/dbraw/zinc/16/03/25/565160325.db2.gz PUILQSFGYQRXPY-LBPRGKRZSA-N 1 0 377.432 2.631 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)C(=O)N(CC)[C@H]1CC[N@H+](C)C1 ZINC000658363206 565161548 /nfs/dbraw/zinc/16/15/48/565161548.db2.gz UUPMKUJWNIEAGF-AWEZNQCLSA-N 1 0 382.302 2.503 20 0 GFADRO CCN(C(=O)C(=O)Nc1cc(Cl)ccc1Br)[C@H]1CC[N@H+](C)C1 ZINC000658361185 565161849 /nfs/dbraw/zinc/16/18/49/565161849.db2.gz KZTIDRVMOMPFSA-NSHDSACASA-N 1 0 388.693 2.594 20 0 GFADRO CCN(C(=O)C(=O)Nc1cc(Cl)cc(Br)c1)[C@@H]1CC[N@H+](C)C1 ZINC000658360620 565161906 /nfs/dbraw/zinc/16/19/06/565161906.db2.gz IFOOFVTXLIKVAH-CYBMUJFWSA-N 1 0 388.693 2.594 20 0 GFADRO CC(C)([NH3+])CNS(=O)(=O)c1cc(Cl)c(Cl)cc1Br ZINC000658370656 565162711 /nfs/dbraw/zinc/16/27/11/565162711.db2.gz SKGXJWSYBWXEMP-UHFFFAOYSA-N 1 0 376.103 2.772 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CCCN(S(=O)(=O)c2cc(Cl)cc(Br)c2)C1 ZINC000658369307 565163081 /nfs/dbraw/zinc/16/30/81/565163081.db2.gz WDBDPOVTWPOKQY-ZJUUUORDSA-N 1 0 381.723 2.850 20 0 GFADRO O=C(NCc1ccsc1C(F)(F)F)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000637594469 565163593 /nfs/dbraw/zinc/16/35/93/565163593.db2.gz IFQUJRCMQVQWKH-OLZOCXBDSA-N 1 0 377.432 2.508 20 0 GFADRO C[C@H](Oc1ccc(Cl)cc1Br)C(=O)N1CC(C[NH+](C)C)C1 ZINC000615512418 565163780 /nfs/dbraw/zinc/16/37/80/565163780.db2.gz PEUVUNMLYPQXJQ-JTQLQIEISA-N 1 0 375.694 2.890 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)c(C)c1C(=O)N1CC(C[NH+](C)C)C1 ZINC000615513462 565164335 /nfs/dbraw/zinc/16/43/35/565164335.db2.gz SSWSULADQWRAGE-UHFFFAOYSA-N 1 0 391.313 2.885 20 0 GFADRO CC[NH+]1CCC(n2nccc2NC(=O)CCn2cc(Br)cn2)CC1 ZINC000589490453 565164922 /nfs/dbraw/zinc/16/49/22/565164922.db2.gz OMBZFMCTDFVWJW-UHFFFAOYSA-N 1 0 395.305 2.528 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(S(=O)(=O)Cc3cc(F)ccc3Cl)C2)C1 ZINC000658383488 565165779 /nfs/dbraw/zinc/16/57/79/565165779.db2.gz IRGJDQXRBAOJQR-MJEQTWJJSA-N 1 0 390.908 2.527 20 0 GFADRO O=S(=O)(c1cnccc1C(F)(F)F)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000658387275 565166950 /nfs/dbraw/zinc/16/69/50/565166950.db2.gz NPSQEVUYZZPDAJ-CYBMUJFWSA-N 1 0 377.432 2.501 20 0 GFADRO COc1cc(OC)c(S(=O)(=O)N2CCC[C@@H](C)[C@H]2CCC[NH3+])cc1Cl ZINC000658400429 565168469 /nfs/dbraw/zinc/16/84/69/565168469.db2.gz YCAXDPKRWYZHDU-TZMCWYRMSA-N 1 0 390.933 2.885 20 0 GFADRO Cc1cc(Br)cc(Cl)c1NC(=O)C(=O)NCC[C@@H](C)[NH+](C)C ZINC000658423414 565169701 /nfs/dbraw/zinc/16/97/01/565169701.db2.gz UVPFPVMDZWOXFY-SNVBAGLBSA-N 1 0 390.709 2.806 20 0 GFADRO Cc1ccc(-c2nc(NC(=O)C(=O)NCC[C@H](C)[NH+](C)C)sc2C)s1 ZINC000658428955 565169719 /nfs/dbraw/zinc/16/97/19/565169719.db2.gz ONYLMZKIWKPGQQ-JTQLQIEISA-N 1 0 380.539 2.883 20 0 GFADRO COC(=O)c1cc(Br)cc(C(=O)N[C@@H](C)C2CC[NH+](C)CC2)c1 ZINC000589795554 565171955 /nfs/dbraw/zinc/17/19/55/565171955.db2.gz HEIQREMRZITINN-NSHDSACASA-N 1 0 383.286 2.696 20 0 GFADRO C[NH2+][C@@H]1CCN(C(=O)c2cc(Br)c(C)cc2Br)C1 ZINC000637803386 565173096 /nfs/dbraw/zinc/17/30/96/565173096.db2.gz YSHPVZSBUUDOHW-SECBINFHSA-N 1 0 376.092 2.954 20 0 GFADRO CCCC[C@@H](C[NH3+])NC(=O)[C@@H]1CCC(=O)N1Cc1ccc(Br)cc1 ZINC000637867287 565174414 /nfs/dbraw/zinc/17/44/14/565174414.db2.gz UGXXJGDFDHZSNJ-HOTGVXAUSA-N 1 0 396.329 2.574 20 0 GFADRO Cc1cc(Br)c(C(=O)N2CC[C@@H](C[NH3+])C2)cc1Br ZINC000637824467 565174711 /nfs/dbraw/zinc/17/47/11/565174711.db2.gz ZRZZRDPFUQMALE-VIFPVBQESA-N 1 0 376.092 2.941 20 0 GFADRO [NH3+]Cc1ncc(C(=O)N[C@H](c2ccc(Br)cc2)C2CCC2)cn1 ZINC000637939997 565177292 /nfs/dbraw/zinc/17/72/92/565177292.db2.gz WUBQCSXYWWEBAY-INIZCTEOSA-N 1 0 375.270 2.969 20 0 GFADRO CC[NH2+][C@@H](C)C(=O)N1CCC(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000637968852 565179110 /nfs/dbraw/zinc/17/91/10/565179110.db2.gz HNIOYCBTCHQWJF-LBPRGKRZSA-N 1 0 382.302 2.624 20 0 GFADRO C[N@@H+](Cc1ccccc1)C[C@@H](N)C(=O)NCc1sccc1Br ZINC000637963316 565179162 /nfs/dbraw/zinc/17/91/62/565179162.db2.gz LXLDGEGSWAVNTK-CQSZACIVSA-N 1 0 382.327 2.586 20 0 GFADRO CC1CC[NH+](CCNC(=O)NCCOc2cccc(Br)c2)CC1 ZINC000615906109 565179378 /nfs/dbraw/zinc/17/93/78/565179378.db2.gz HTXXWDWHCVSXTA-UHFFFAOYSA-N 1 0 384.318 2.859 20 0 GFADRO CC1CCN(C(=[NH2+])NCc2nnc(-c3ccc(Br)cc3)[nH]2)CC1 ZINC000590208946 565179615 /nfs/dbraw/zinc/17/96/15/565179615.db2.gz MSIGOLMGUJENGE-UHFFFAOYSA-N 1 0 377.290 2.990 20 0 GFADRO C[C@@H](CNC(=O)c1cnc(C[NH3+])nc1)Sc1ccc(Br)cc1 ZINC000637989933 565180357 /nfs/dbraw/zinc/18/03/57/565180357.db2.gz BEKOPMYIETVZHY-JTQLQIEISA-N 1 0 381.299 2.608 20 0 GFADRO CC(C)[C@H]([NH3+])CNC(=O)N1CCc2[nH]c3c(cccc3Br)c2C1 ZINC000638061115 565182906 /nfs/dbraw/zinc/18/29/06/565182906.db2.gz BPHLREDMECYHTO-CQSZACIVSA-N 1 0 379.302 2.981 20 0 GFADRO CCC[NH+](CCC)CCCNS(=O)(=O)c1cc2c(cc1Cl)OCCO2 ZINC000590299165 565183257 /nfs/dbraw/zinc/18/32/57/565183257.db2.gz AQHMRMHRKAOASR-UHFFFAOYSA-N 1 0 390.933 2.902 20 0 GFADRO NS(=O)(=O)c1ccc(CN2CC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)o1 ZINC000638155766 565186570 /nfs/dbraw/zinc/18/65/70/565186570.db2.gz YXOKJEOAJGVGPO-LBPRGKRZSA-N 1 0 391.276 2.887 20 0 GFADRO [NH3+][C@H]1CCc2nc(NC(=O)c3cc(Br)cc4[nH]cnc43)sc2C1 ZINC000638235236 565188902 /nfs/dbraw/zinc/18/89/02/565188902.db2.gz SKPVFHYPDDLAAC-QMMMGPOBSA-N 1 0 392.282 2.850 20 0 GFADRO CO[C@@H]1C[NH2+][C@](C)(C(=O)N2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)C1 ZINC000638293679 565191324 /nfs/dbraw/zinc/19/13/24/565191324.db2.gz NIBXRJDYOMILQM-ZETOZRRWSA-N 1 0 377.432 2.635 20 0 GFADRO O=C(c1cc(Br)c2nccn2c1)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000638329848 565192273 /nfs/dbraw/zinc/19/22/73/565192273.db2.gz PTHDVKXXHVHTGH-IUODEOHRSA-N 1 0 377.286 2.701 20 0 GFADRO [NH3+]C[C@@]1(C(=O)N2CCc3[nH]c4ccc(Br)cc4c3C2)CCCOC1 ZINC000638409167 565194704 /nfs/dbraw/zinc/19/47/04/565194704.db2.gz VHNRJPYDDCVKDC-SFHVURJKSA-N 1 0 392.297 2.571 20 0 GFADRO COc1cc(C(=O)N2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)ccc1Br ZINC000638393658 565195634 /nfs/dbraw/zinc/19/56/34/565195634.db2.gz SRYSSHVTJSENNI-FRFSOERESA-N 1 0 397.313 2.959 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+]C[C@H]2CCN(c3ccc(Cl)cc3)C2)s1 ZINC000638456173 565196838 /nfs/dbraw/zinc/19/68/38/565196838.db2.gz IJWFLOGYIRQKIX-GFCCVEGCSA-N 1 0 385.942 2.665 20 0 GFADRO Cc1nccc(NC(=O)N2CCC[C@H](C3CC[NH2+]CC3)C2)c1Br ZINC000659010010 565199245 /nfs/dbraw/zinc/19/92/45/565199245.db2.gz FTIBLDMUCFBDJA-AWEZNQCLSA-N 1 0 381.318 2.818 20 0 GFADRO O=C(NCC12CC(C1)C[NH2+]2)Nc1ccc(-c2ccc(Br)s2)nn1 ZINC000659012188 565199492 /nfs/dbraw/zinc/19/94/92/565199492.db2.gz REXNYHLGZXISCC-UHFFFAOYSA-N 1 0 394.298 2.841 20 0 GFADRO Cc1cc(Br)c(Cl)cc1NC(=O)C(=O)N1CCC(C[NH3+])CC1 ZINC000659074022 565200188 /nfs/dbraw/zinc/20/01/88/565200188.db2.gz FSDPSWBKXRWKKF-UHFFFAOYSA-N 1 0 388.693 2.547 20 0 GFADRO COc1ccc(Br)c(C(=O)NCCC[NH2+]Cc2ncc(C)o2)c1 ZINC000638525323 565200559 /nfs/dbraw/zinc/20/05/59/565200559.db2.gz VJQCZZMFSSAYKK-UHFFFAOYSA-N 1 0 382.258 2.664 20 0 GFADRO CN(CC(C)(C)[NH3+])C(=O)C(=O)Nc1cc(C(F)(F)F)ccc1Br ZINC000659090982 565201452 /nfs/dbraw/zinc/20/14/52/565201452.db2.gz XPOCXMSWXPPFLL-UHFFFAOYSA-N 1 0 396.207 2.602 20 0 GFADRO COc1ncc(C(=O)N2CCCc3cccc(C[NH3+])c32)cc1Br ZINC000638543975 565201907 /nfs/dbraw/zinc/20/19/07/565201907.db2.gz QYLRRFNDDXTPFM-UHFFFAOYSA-N 1 0 376.254 2.904 20 0 GFADRO C[NH+](C)CC[C@@H](N)C(=O)N[C@H]1CCCSc2ccc(Br)cc21 ZINC000638586343 565202822 /nfs/dbraw/zinc/20/28/22/565202822.db2.gz QKTAYTCAQJWEIU-KGLIPLIRSA-N 1 0 386.359 2.771 20 0 GFADRO COc1nsc(C[NH2+][C@@H]2CCC[C@@H](C(=O)N(C)C)C2)c1Br ZINC000638634444 565205264 /nfs/dbraw/zinc/20/52/64/565205264.db2.gz HAIDVQQSTYNEMI-NXEZZACHSA-N 1 0 376.320 2.651 20 0 GFADRO CCC(C)(C)[NH+]1CCN(C(=O)c2cc(Br)cc3[nH]c(=O)[nH]c32)CC1 ZINC000616701330 565206400 /nfs/dbraw/zinc/20/64/00/565206400.db2.gz ACWXBCFRPAKISY-UHFFFAOYSA-N 1 0 395.301 2.977 20 0 GFADRO C[C@@H](C[NH2+]Cc1ccc(S(N)(=O)=O)cc1)Oc1ccccc1Br ZINC000638733559 565208307 /nfs/dbraw/zinc/20/83/07/565208307.db2.gz HUCVMEQSNBPSLN-LBPRGKRZSA-N 1 0 399.310 2.654 20 0 GFADRO COC[C@@H](Cc1ccccc1)[NH2+]Cc1cnn2cc(Br)cnc12 ZINC000638717704 565208468 /nfs/dbraw/zinc/20/84/68/565208468.db2.gz BWAACZJQLNEXRE-MRXNPFEDSA-N 1 0 375.270 2.839 20 0 GFADRO Brc1cnc2c(C[NH2+]CC[C@H]3COc4ccccc4O3)cnn2c1 ZINC000638768701 565209068 /nfs/dbraw/zinc/20/90/68/565209068.db2.gz GPFFKJRMZSJQTD-AWEZNQCLSA-N 1 0 389.253 2.812 20 0 GFADRO CCn1ncnc1C[NH2+]C1CCN(Cc2ccc(Br)cc2)CC1 ZINC000638751752 565209562 /nfs/dbraw/zinc/20/95/62/565209562.db2.gz SNKPENCZHQOPLH-UHFFFAOYSA-N 1 0 378.318 2.815 20 0 GFADRO O=C(c1cc(I)ccc1Cl)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000590899973 565209782 /nfs/dbraw/zinc/20/97/82/565209782.db2.gz DCJGQPWNOCLDEI-NXEZZACHSA-N 1 0 390.652 2.626 20 0 GFADRO CCn1cc(Br)cc1C(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000638779864 565210234 /nfs/dbraw/zinc/21/02/34/565210234.db2.gz WDJNJFOSNHCILR-OAHLLOKOSA-N 1 0 384.318 2.501 20 0 GFADRO O=C(c1c(F)cccc1Br)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000638778931 565210446 /nfs/dbraw/zinc/21/04/46/565210446.db2.gz PDELFUHKFFKJOF-CYBMUJFWSA-N 1 0 385.277 2.819 20 0 GFADRO C[C@H](Cc1cc(Br)ccc1F)[NH2+]Cc1ccc(S(N)(=O)=O)o1 ZINC000638809587 565212153 /nfs/dbraw/zinc/21/21/53/565212153.db2.gz SMZSMMNXNZHXCZ-SECBINFHSA-N 1 0 391.262 2.549 20 0 GFADRO COC(=O)C[C@H](NC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1)c1cccs1 ZINC000591013945 565213355 /nfs/dbraw/zinc/21/33/55/565213355.db2.gz USFPJKGJGKVBSK-CABCVRRESA-N 1 0 382.551 2.686 20 0 GFADRO [NH3+]C1CCC(OCC(=O)N2CCOC[C@@H]2c2cccc(Br)c2)CC1 ZINC000659366567 565215463 /nfs/dbraw/zinc/21/54/63/565215463.db2.gz IMEPCYQVTXTDEL-OFLPRAFFSA-N 1 0 397.313 2.636 20 0 GFADRO O=C([C@H]1C[NH2+]CCC1(F)F)N1CCOC[C@H]1c1cccc(Br)c1 ZINC000659369762 565215784 /nfs/dbraw/zinc/21/57/84/565215784.db2.gz PMTZQUBTRNFBPL-KGLIPLIRSA-N 1 0 389.240 2.594 20 0 GFADRO O=C(c1cc(Br)sc1Br)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638924175 565217675 /nfs/dbraw/zinc/21/76/75/565217675.db2.gz POCKKSLWRKSFKO-KNVOCYPGSA-N 1 0 380.105 2.850 20 0 GFADRO C[C@H]1C[C@@H]([NH3+])CN1C(=O)c1ccc(NC(=O)c2ccc(Br)o2)cc1 ZINC000638935596 565218426 /nfs/dbraw/zinc/21/84/26/565218426.db2.gz ANZVHISYOGINOV-CMPLNLGQSA-N 1 0 392.253 2.856 20 0 GFADRO C[C@H]1C[C@H]([NH3+])CN1C(=O)c1nn(-c2cccc(Br)c2)c2c1CCC2 ZINC000638936483 565218484 /nfs/dbraw/zinc/21/84/84/565218484.db2.gz PUIIMHWLYLYLMS-AAEUAGOBSA-N 1 0 389.297 2.685 20 0 GFADRO [NH3+]C[C@H]1CC[C@H](NC(=O)c2cc(=O)[nH]c3c(Br)cccc23)CC1 ZINC000638948915 565219081 /nfs/dbraw/zinc/21/90/81/565219081.db2.gz UKUBDCBNMKPFDV-XYPYZODXSA-N 1 0 378.270 2.950 20 0 GFADRO O=C(Nc1cc(N2CC[NH2+]CC2)ccn1)c1cc(F)c(F)cc1Br ZINC000638984781 565219730 /nfs/dbraw/zinc/21/97/30/565219730.db2.gz RGALQGQLJUIGBU-UHFFFAOYSA-N 1 0 397.223 2.784 20 0 GFADRO Cc1ccc(C(=O)Nc2cc(N3CC[NH2+]CC3)ccn2)c(Br)c1 ZINC000638983737 565219825 /nfs/dbraw/zinc/21/98/25/565219825.db2.gz DKGBLUNVNSUJII-UHFFFAOYSA-N 1 0 375.270 2.814 20 0 GFADRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N1CCOC[C@@H]1c1ccc(Br)cc1 ZINC000659536847 565220576 /nfs/dbraw/zinc/22/05/76/565220576.db2.gz OTRRVXCSERBQAH-UHOFOFEASA-N 1 0 382.302 2.530 20 0 GFADRO O=C(C[C@H]1Sc2ccc(Cl)cc2NC1=O)N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000639028204 565220825 /nfs/dbraw/zinc/22/08/25/565220825.db2.gz XFHBOGUVRPBGSA-DJSGYFEHSA-N 1 0 379.913 2.743 20 0 GFADRO O=C([C@@H]1[C@@H]2Cc3cc(Br)ccc3[C@@H]21)N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000639018915 565220860 /nfs/dbraw/zinc/22/08/60/565220860.db2.gz ACKZKHDMFAVQSS-XOYXNHQRSA-N 1 0 375.310 2.935 20 0 GFADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)Cc1ccc(I)cc1 ZINC000617107700 565221301 /nfs/dbraw/zinc/22/13/01/565221301.db2.gz ZGNXMXZCBDBGJL-HNNXBMFYSA-N 1 0 386.277 2.824 20 0 GFADRO COC(=O)c1cc(NC(=O)N[C@H]2CC[NH2+]C2(C)C)c(Br)cc1F ZINC000591287212 565221060 /nfs/dbraw/zinc/22/10/60/565221060.db2.gz CSGPIRYIGGOQAM-LBPRGKRZSA-N 1 0 388.237 2.637 20 0 GFADRO [NH3+][C@H]1CC[C@H](NC(=O)c2nn(-c3ccc(F)cc3)cc2Br)CC1 ZINC000639029613 565221857 /nfs/dbraw/zinc/22/18/57/565221857.db2.gz ANUGXUGQVJAYBG-HAQNSBGRSA-N 1 0 381.249 2.774 20 0 GFADRO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N(Cc1ccc(Cl)c(Cl)c1)C1CC1 ZINC000659744326 565222048 /nfs/dbraw/zinc/22/20/48/565222048.db2.gz IZCMVCFHAUZAKG-MRXNPFEDSA-N 1 0 386.323 2.974 20 0 GFADRO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)NCC(C)(C)c1ccc(Cl)c(Cl)c1 ZINC000659695679 565222191 /nfs/dbraw/zinc/22/21/91/565222191.db2.gz CDBKZNIRJKWQQV-OAHLLOKOSA-N 1 0 388.339 2.877 20 0 GFADRO CO[C@@H](C[NH2+]C[C@H](CO)Cc1ccc(Br)cc1)C1CCOCC1 ZINC000639105829 565226284 /nfs/dbraw/zinc/22/62/84/565226284.db2.gz RVDALALBPGPLAX-QAPCUYQASA-N 1 0 386.330 2.631 20 0 GFADRO CNC(=O)CC[C@@H]1CCCCN1Cc1snc(OC)c1Br ZINC000639165665 565230096 /nfs/dbraw/zinc/23/00/96/565230096.db2.gz PIIULBLDZOAZDJ-JTQLQIEISA-N 1 0 376.320 2.795 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+]C2(Cc3ccccc3Br)CC2)cc1 ZINC000639203000 565232080 /nfs/dbraw/zinc/23/20/80/565232080.db2.gz FDUVJPWWYKYYDP-UHFFFAOYSA-N 1 0 395.322 2.961 20 0 GFADRO Cn1c(SCC(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)nnc1-c1cccs1 ZINC000617350837 565234242 /nfs/dbraw/zinc/23/42/42/565234242.db2.gz DKXSAXMFXJACHP-LBPRGKRZSA-N 1 0 379.555 2.625 20 0 GFADRO COc1nsc(C[NH2+][C@H]2CCO[C@H](c3nccn3C)C2)c1Br ZINC000639242742 565234795 /nfs/dbraw/zinc/23/47/95/565234795.db2.gz RXIOSEUHYYILQX-UWVGGRQHSA-N 1 0 387.303 2.658 20 0 GFADRO Cc1ccc(C[C@@H](CO)[NH2+]Cc2cnn3cc(Br)cnc23)cc1C ZINC000639246143 565235378 /nfs/dbraw/zinc/23/53/78/565235378.db2.gz AYOJVPAQJSVTTG-KRWDZBQOSA-N 1 0 389.297 2.802 20 0 GFADRO CN1CC[C@H]([NH2+][C@@H]2CC[C@H](C(N)=O)C2)C[C@@H]1c1ccc(Br)cc1 ZINC000639252480 565236295 /nfs/dbraw/zinc/23/62/95/565236295.db2.gz JDXWTMFJYRZSCT-PQEBFOHHSA-N 1 0 380.330 2.828 20 0 GFADRO COc1ccc(C[C@@H](CO)C[NH2+]Cc2ccc(CO)cc2)cc1Br ZINC000639249873 565236320 /nfs/dbraw/zinc/23/63/20/565236320.db2.gz FNEYMSJLZBOLRB-QGZVFWFLSA-N 1 0 394.309 2.891 20 0 GFADRO O=C(N[C@H]1CC12CC[NH2+]CC2)c1ccc(Cl)c(I)c1 ZINC000591685820 565236480 /nfs/dbraw/zinc/23/64/80/565236480.db2.gz RPVLPQZPWGGOBR-LBPRGKRZSA-N 1 0 390.652 2.817 20 0 GFADRO CC(C)[C@@H]([NH2+]Cc1cnn2cc(Br)cnc12)C1(CO)CC=CC1 ZINC000639285514 565237828 /nfs/dbraw/zinc/23/78/28/565237828.db2.gz HMFIGMQWVCUYNU-OAHLLOKOSA-N 1 0 379.302 2.935 20 0 GFADRO CCC[N@@H+]1CC[C@@H](NS(=O)(=O)Cc2cccc(Br)c2C)C1 ZINC000660028932 565240380 /nfs/dbraw/zinc/24/03/80/565240380.db2.gz YQJVFJMBKGJDTF-CQSZACIVSA-N 1 0 375.332 2.661 20 0 GFADRO C[N@H+](C[C@@H](O)COc1cc(Cl)cc(Cl)c1)C[C@H]1CNc2ccnn2C1 ZINC000639359341 565242751 /nfs/dbraw/zinc/24/27/51/565242751.db2.gz CQJDHJYQXLCVQU-IUODEOHRSA-N 1 0 385.295 2.603 20 0 GFADRO CCN(C(=O)COc1ccc(Br)cc1C(C)=O)[C@H]1CC[N@H+](C)C1 ZINC000617551038 565245528 /nfs/dbraw/zinc/24/55/28/565245528.db2.gz JQHBNLCWSHFHIR-AWEZNQCLSA-N 1 0 383.286 2.583 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CN(C)C[C@H](O)C[C@@](C)(O)C1CC1 ZINC000639447689 565246711 /nfs/dbraw/zinc/24/67/11/565246711.db2.gz OLYBPPGPOIRWBT-CRAIPNDOSA-N 1 0 399.329 2.540 20 0 GFADRO CO[C@H](C)c1noc(CN(C)C[C@@H](O)COc2cc(Cl)cc(Cl)c2)n1 ZINC000639509943 565248613 /nfs/dbraw/zinc/24/86/13/565248613.db2.gz QSFSKIRTKIJLIC-ZWNOBZJWSA-N 1 0 390.267 2.956 20 0 GFADRO O=C(C1CC1)N1CCC[N@@H+](C[C@@H](O)COc2cc(Cl)cc(Cl)c2)CC1 ZINC000639600746 565251202 /nfs/dbraw/zinc/25/12/02/565251202.db2.gz IVEJLZBVFJLREZ-MRXNPFEDSA-N 1 0 387.307 2.677 20 0 GFADRO C[C@H](C[N@H+](C)C[C@H](O)CC1(O)CCOCC1)Oc1ccc(Cl)c(Cl)c1 ZINC000639605024 565252694 /nfs/dbraw/zinc/25/26/94/565252694.db2.gz AGKVQQFHQWIGQJ-ZIAGYGMSSA-N 1 0 392.323 2.985 20 0 GFADRO COCC[N@@H+]1CCC[C@H](NC(=O)[C@H](C)Oc2ccc(Cl)c(Cl)c2)C1 ZINC000592093289 565255302 /nfs/dbraw/zinc/25/53/02/565255302.db2.gz CRQRPZSAILKTHQ-STQMWFEESA-N 1 0 375.296 2.988 20 0 GFADRO COc1ccc(Br)cc1C(=O)CCC(=O)NCC[C@@H](C)[NH+](C)C ZINC000617745023 565256481 /nfs/dbraw/zinc/25/64/81/565256481.db2.gz FCCUUPRTOMGWIU-GFCCVEGCSA-N 1 0 385.302 2.877 20 0 GFADRO C[C@@H](C(=O)NCCN(C)CCC[NH+](C)C)c1ccc(Br)s1 ZINC000617766508 565258699 /nfs/dbraw/zinc/25/86/99/565258699.db2.gz NDRFLGMFSVXCLP-GFCCVEGCSA-N 1 0 376.364 2.614 20 0 GFADRO O=C(CC[N@H+]1CC[C@H](Oc2cncc(Br)c2)C1)N1CCCCC1 ZINC000639773391 565259471 /nfs/dbraw/zinc/25/94/71/565259471.db2.gz OSDXRCJNACBBNA-HNNXBMFYSA-N 1 0 382.302 2.700 20 0 GFADRO Cn1ccnc1[C@@H]([NH2+]CCOc1cccc(Br)c1)C(C)(C)CO ZINC000639774107 565260603 /nfs/dbraw/zinc/26/06/03/565260603.db2.gz JQQTWYZTAPEAKA-OAHLLOKOSA-N 1 0 382.302 2.911 20 0 GFADRO Cn1cc(C2=CCC[N@H+](C[C@@H](O)COc3ccc(Br)cc3)C2)cn1 ZINC000639793515 565262050 /nfs/dbraw/zinc/26/20/50/565262050.db2.gz MFUSWRXXOKKNPN-QGZVFWFLSA-N 1 0 392.297 2.712 20 0 GFADRO CCO[C@@H]1C[C@@H]([NH2+]C[C@@H](O)COc2ccccc2C(F)(F)F)[C@@H]1SC ZINC000592172352 565262419 /nfs/dbraw/zinc/26/24/19/565262419.db2.gz DOTUEHUJTCUSEP-CUBALJKWSA-N 1 0 379.444 2.944 20 0 GFADRO C[C@H]1CN(CC[NH2+]C(C)(C)COc2ncccc2Br)C[C@H](C)O1 ZINC000660164651 565262657 /nfs/dbraw/zinc/26/26/57/565262657.db2.gz QNFQGESQLFKNTJ-KBPBESRZSA-N 1 0 386.334 2.700 20 0 GFADRO CC(C)[C@@H]1CN(S(=O)(=O)c2cccc(Cl)c2Br)CC[NH2+]1 ZINC000660184346 565265025 /nfs/dbraw/zinc/26/50/25/565265025.db2.gz KSJAOHHBUIEWNF-NSHDSACASA-N 1 0 381.723 2.721 20 0 GFADRO CC1([NH3+])CCN(C(=O)CCC[S@@](=O)c2ccc(Br)cc2)CC1 ZINC000592329309 565270214 /nfs/dbraw/zinc/27/02/14/565270214.db2.gz WGCMYEUBBITDHL-JOCHJYFZSA-N 1 0 387.343 2.677 20 0 GFADRO CC[C@@H]1CN(C(=O)c2cc(F)ccc2I)CC[C@@H]1[NH3+] ZINC000592333271 565270311 /nfs/dbraw/zinc/27/03/11/565270311.db2.gz WERWAVZYFVXVGV-RNCFNFMXSA-N 1 0 376.213 2.630 20 0 GFADRO COc1cc(NC(=O)N2CC[C@H]([NH+]3CCCC3)[C@@H]2C)ncc1Br ZINC000639965894 565270846 /nfs/dbraw/zinc/27/08/46/565270846.db2.gz VDPTWVONWDQYKV-AAEUAGOBSA-N 1 0 383.290 2.943 20 0 GFADRO C[C@H]1C[C@H](C)C[NH+](CCN2CCN(c3nnc(C(F)(F)F)s3)CC2)C1 ZINC000660323871 565271448 /nfs/dbraw/zinc/27/14/48/565271448.db2.gz FNDBOTSSPMHNNP-STQMWFEESA-N 1 0 377.480 2.657 20 0 GFADRO Cn1cc(C(=O)NC[C@@H]2CCCN2Cc2cscc2Br)cn1 ZINC000639973743 565272006 /nfs/dbraw/zinc/27/20/06/565272006.db2.gz NNBFGTOQYMCVKM-ZDUSSCGKSA-N 1 0 383.315 2.639 20 0 GFADRO C[N@@H+](Cc1cccc(Br)c1OC[C@@H]1CCCO1)C[C@H]1CNC(=O)C1 ZINC000660380623 565273585 /nfs/dbraw/zinc/27/35/85/565273585.db2.gz MPLJCSGSGKIIPL-HIFRSBDPSA-N 1 0 397.313 2.575 20 0 GFADRO COc1ncc(Br)cc1C[NH2+][C@H]1CCCC[C@@H]1N1CCOCC1 ZINC000660386838 565273646 /nfs/dbraw/zinc/27/36/46/565273646.db2.gz DOQOIMHUJAKOTL-HOTGVXAUSA-N 1 0 384.318 2.586 20 0 GFADRO O=C1C[C@@H](C[N@H+]2CCC[C@@H]2c2nc(-c3ccccc3Br)no2)CN1 ZINC000660382751 565273756 /nfs/dbraw/zinc/27/37/56/565273756.db2.gz UPPPQLDSPBEQGI-BXUZGUMPSA-N 1 0 391.269 2.772 20 0 GFADRO CCC1([NH+](C)C)CCN([C@@H](C(N)=O)c2ccc(Br)cc2F)CC1 ZINC000640016636 565274239 /nfs/dbraw/zinc/27/42/39/565274239.db2.gz ACRJEIZXVUOVPH-OAHLLOKOSA-N 1 0 386.309 2.921 20 0 GFADRO CC[NH+](CC)CCN(Cc1ccc(Cl)cc1)C(=O)CS(=O)(=O)C1CC1 ZINC000618174043 565276580 /nfs/dbraw/zinc/27/65/80/565276580.db2.gz KZYPCHBRLRSSEK-UHFFFAOYSA-N 1 0 386.945 2.588 20 0 GFADRO CN(Cc1ccc(Br)s1)C(=O)c1cnn2c1[C@H](C[NH3+])CCC2 ZINC000592480710 565278829 /nfs/dbraw/zinc/27/88/29/565278829.db2.gz QFYBDNOLVANHSS-JTQLQIEISA-N 1 0 383.315 2.815 20 0 GFADRO CN(CC1C[NH+](C)C1)C(=O)c1cnc2c(Cl)cc(Br)cc2c1O ZINC000618191089 565279616 /nfs/dbraw/zinc/27/96/16/565279616.db2.gz SBWACHOMUNBYRP-UHFFFAOYSA-N 1 0 398.688 2.578 20 0 GFADRO C[C@@H](C[NH3+])CNC(=O)C[C@@H](C)CCc1ccc(I)cc1 ZINC000592538481 565280907 /nfs/dbraw/zinc/28/09/07/565280907.db2.gz XDZUTEANGOEKTL-STQMWFEESA-N 1 0 388.293 2.961 20 0 GFADRO [NH3+]C[C@@H]1CCCn2ncc(C(=O)N[C@H]3COc4c3ccc(Cl)c4Cl)c21 ZINC000592525630 565281005 /nfs/dbraw/zinc/28/10/05/565281005.db2.gz BRAJBAIFTILJAF-ZANVPECISA-N 1 0 381.263 2.890 20 0 GFADRO [NH3+]C[C@@H]1CCCn2ncc(C(=O)N[C@H]3CCc4c3cccc4Br)c21 ZINC000592525738 565281257 /nfs/dbraw/zinc/28/12/57/565281257.db2.gz RTJABAYZSXPVEI-ZBEGNZNMSA-N 1 0 389.297 2.899 20 0 GFADRO O=C(N[C@H]1CC[NH2+]C2(CCC2)C1)c1c(F)cccc1I ZINC000592568692 565282157 /nfs/dbraw/zinc/28/21/57/565282157.db2.gz NKZVZMBZJLLJOS-JTQLQIEISA-N 1 0 388.224 2.835 20 0 GFADRO CO[C@@H]1[C@H]2C[C@H]3C[N@H+](CC(=O)c4c[nH]c5ncc(Br)cc45)[C@H]1[C@H]3C2 ZINC000660541827 565282276 /nfs/dbraw/zinc/28/22/76/565282276.db2.gz XBBAYHOBHIPOTO-YOCWQBDXSA-N 1 0 390.281 2.863 20 0 GFADRO Cc1nn(C)c(NC(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)c1Br ZINC000640165244 565282287 /nfs/dbraw/zinc/28/22/87/565282287.db2.gz IFDMXDCECHABLN-CYBMUJFWSA-N 1 0 384.322 2.687 20 0 GFADRO COc1cccc(SCC[N@@H+]2CCC[C@@H](CNS(=O)(=O)C3CC3)C2)c1 ZINC000660556106 565282641 /nfs/dbraw/zinc/28/26/41/565282641.db2.gz FNMZEVCCPARBLM-HNNXBMFYSA-N 1 0 384.567 2.581 20 0 GFADRO COCC1([NH2+]CC(=O)N(C)Cc2ccc(Cl)c(Cl)c2)CCOCC1 ZINC000660628883 565285723 /nfs/dbraw/zinc/28/57/23/565285723.db2.gz COOKBPCXTWKCCO-UHFFFAOYSA-N 1 0 375.296 2.737 20 0 GFADRO CN(C(=O)Nc1csc(C(N)=O)c1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000640184203 565285767 /nfs/dbraw/zinc/28/57/67/565285767.db2.gz XARLJXBHUXCYOG-UHFFFAOYSA-N 1 0 378.420 2.728 20 0 GFADRO CN1CCC([N@@H+]2CC[C@H](NC(=O)NCc3ccc(Cl)c(Cl)c3)C2)CC1 ZINC000660712119 565291136 /nfs/dbraw/zinc/29/11/36/565291136.db2.gz IYJACXJBIJXPFK-AWEZNQCLSA-N 1 0 385.339 2.961 20 0 GFADRO C[C@H](CCNC(=O)Nc1cc(N2CCOCC2)ccc1Br)[NH+](C)C ZINC000640237793 565292036 /nfs/dbraw/zinc/29/20/36/565292036.db2.gz RYEBOODCGFJLIZ-CYBMUJFWSA-N 1 0 399.333 2.747 20 0 GFADRO OCC1([N@H+](C[C@@H](O)COc2cc(F)cc(Br)c2)C2CC2)CCC1 ZINC000660770457 565292656 /nfs/dbraw/zinc/29/26/56/565292656.db2.gz FWLYKPQQHVXXKU-OAHLLOKOSA-N 1 0 388.277 2.707 20 0 GFADRO CNS(=O)(=O)c1ccc(C[NH2+][C@@H](c2cccs2)C2(CO)CCC2)cc1 ZINC000660756878 565293049 /nfs/dbraw/zinc/29/30/49/565293049.db2.gz AOXILUWYJOTBFU-KRWDZBQOSA-N 1 0 380.535 2.650 20 0 GFADRO CCOC(=O)[C@H](Cc1cc(Cl)cc(Cl)c1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000592775346 565293640 /nfs/dbraw/zinc/29/36/40/565293640.db2.gz AVGHGJPSRPMFCE-LYRGGWFBSA-N 1 0 387.307 2.924 20 0 GFADRO COc1ncc(Br)cc1CN1CCC[C@@H](N2CCCC2=O)CC1 ZINC000660807687 565293820 /nfs/dbraw/zinc/29/38/20/565293820.db2.gz IJQFTDQEEYBWFC-OAHLLOKOSA-N 1 0 382.302 2.830 20 0 GFADRO C[NH+](C)[C@]1(CNC(=O)N[C@@H](CO)c2cccc(Cl)c2Cl)CCSC1 ZINC000660826123 565295502 /nfs/dbraw/zinc/29/55/02/565295502.db2.gz ZKBHFANCOCVPEI-BBRMVZONSA-N 1 0 392.352 2.763 20 0 GFADRO COC[C@@H]([NH2+]CCC(=O)Nc1ccccc1Br)C1CCOCC1 ZINC000661155446 565310536 /nfs/dbraw/zinc/31/05/36/565310536.db2.gz AZZNITULGSJWDI-MRXNPFEDSA-N 1 0 385.302 2.809 20 0 GFADRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)CCn2cc(Br)cn2)C1 ZINC000618685598 565311799 /nfs/dbraw/zinc/31/17/99/565311799.db2.gz BQCJQWGKKYHJEW-ZIAGYGMSSA-N 1 0 385.350 2.908 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)NCc1cc2c(c(Br)c1)OCO2 ZINC000661398745 565322255 /nfs/dbraw/zinc/32/22/55/565322255.db2.gz OTUGNTCQTTVVDC-GFCCVEGCSA-N 1 0 398.301 2.850 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)N[C@H](CO)c1ccc(Br)cc1 ZINC000661404075 565322726 /nfs/dbraw/zinc/32/27/26/565322726.db2.gz SJJGXYVMDXQRIK-HUUCEWRRSA-N 1 0 384.318 2.655 20 0 GFADRO C[C@@H]1CCC[N@H+](C[C@@H](O)COc2cc(F)cc(Br)c2)[C@@H]1CCO ZINC000661490610 565325703 /nfs/dbraw/zinc/32/57/03/565325703.db2.gz FEIMNEBZCJLQPB-SRCQZFHVSA-N 1 0 390.293 2.811 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)N[C@H](CO)c2ccc(Br)cc2)C1 ZINC000661510203 565327099 /nfs/dbraw/zinc/32/70/99/565327099.db2.gz UBZMPJWDIZATCY-LSDHHAIUSA-N 1 0 384.318 2.655 20 0 GFADRO [NH3+][C@H](c1cn(CCOc2ccc(Br)cc2)nn1)C1CCOCC1 ZINC000640790273 565327709 /nfs/dbraw/zinc/32/77/09/565327709.db2.gz OUUOSAHHNZSYQD-INIZCTEOSA-N 1 0 381.274 2.546 20 0 GFADRO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[N@@H+]1CC[C@H]2NC(=O)CC[C@H]2C1 ZINC000661606230 565330562 /nfs/dbraw/zinc/33/05/62/565330562.db2.gz UVZMWVYFYFPPBM-XJKSGUPXSA-N 1 0 384.307 2.552 20 0 GFADRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)CCn2cc(Br)cn2)C1 ZINC000619166709 565330990 /nfs/dbraw/zinc/33/09/90/565330990.db2.gz AFHLQJVBNWRIMD-RHSMWYFYSA-N 1 0 391.313 2.987 20 0 GFADRO COc1cc(Br)c(Cn2cc(C[C@H]3CCC[NH2+]C3)nn2)cc1OC ZINC000640861187 565332707 /nfs/dbraw/zinc/33/27/07/565332707.db2.gz YWICCHCIJWZHPE-GFCCVEGCSA-N 1 0 395.301 2.648 20 0 GFADRO Cn1cc(C[C@@H]2CCC[C@H]2[NH2+][C@H](C(N)=O)c2cccc(Br)c2)cn1 ZINC000661776540 565338180 /nfs/dbraw/zinc/33/81/80/565338180.db2.gz AEMLEOSVQLXSBD-XKQJLSEDSA-N 1 0 391.313 2.710 20 0 GFADRO C[C@H]([NH2+][C@H]1C[C@H](O)C12CCC2)C(=O)N(C)Cc1ccc(Br)cc1 ZINC000661839632 565340039 /nfs/dbraw/zinc/34/00/39/565340039.db2.gz NNFAUWHZDGVQPB-RCBQFDQVSA-N 1 0 381.314 2.689 20 0 GFADRO CN(CCn1cc(Br)cn1)C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000661853076 565341510 /nfs/dbraw/zinc/34/15/10/565341510.db2.gz BCHBDRCLSKUDAU-HNNXBMFYSA-N 1 0 398.349 2.694 20 0 GFADRO CCC[C@@H]([NH3+])c1cn([C@@H]2CCN(c3cccc(Br)c3)C2=O)nn1 ZINC000641104633 565346117 /nfs/dbraw/zinc/34/61/17/565346117.db2.gz JMAWAJCWZNVWBK-UKRRQHHQSA-N 1 0 378.274 2.819 20 0 GFADRO FC(F)Oc1c(Br)cccc1Cn1cc(C[C@H]2CC[NH2+]C2)nn1 ZINC000641122928 565348362 /nfs/dbraw/zinc/34/83/62/565348362.db2.gz NGZVSMJGKPVGLN-SNVBAGLBSA-N 1 0 387.228 2.842 20 0 GFADRO CC(C)N(C)C(=O)[C@@H](C)n1cc([C@@H]([NH3+])c2ccc(Br)cc2)nn1 ZINC000641126208 565348815 /nfs/dbraw/zinc/34/88/15/565348815.db2.gz JPVGQINJLAYLSO-ABAIWWIYSA-N 1 0 380.290 2.517 20 0 GFADRO Cc1nccn1CCCn1cc([C@H]([NH3+])c2ccc(Br)cc2)nn1 ZINC000641150162 565349222 /nfs/dbraw/zinc/34/92/22/565349222.db2.gz XPDZDISNSQUATO-MRXNPFEDSA-N 1 0 375.274 2.684 20 0 GFADRO [NH3+][C@@H](c1cn(Cc2nc3ccc(Br)cc3o2)nn1)C1CCOCC1 ZINC000641129871 565349884 /nfs/dbraw/zinc/34/98/84/565349884.db2.gz GXTCPKFHEHPMNF-MRXNPFEDSA-N 1 0 392.257 2.657 20 0 GFADRO O[C@@H](COc1ccc(Cl)c(Cl)c1)Cn1cc(C[C@H]2CCC[NH2+]C2)nn1 ZINC000641206268 565354499 /nfs/dbraw/zinc/35/44/99/565354499.db2.gz RELXUJWHAOJHEN-TZMCWYRMSA-N 1 0 385.295 2.567 20 0 GFADRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N1CCc2[nH]c3ccc(Br)cc3c2C1 ZINC000641247906 565355549 /nfs/dbraw/zinc/35/55/49/565355549.db2.gz KNVYWPAPCYLYRN-IAQYHMDHSA-N 1 0 391.313 2.996 20 0 GFADRO CN(Cc1cccc2c1CC[NH2+]C2)[C@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000662280759 565358131 /nfs/dbraw/zinc/35/81/31/565358131.db2.gz QDDBSMODABONFK-SFHVURJKSA-N 1 0 376.909 2.946 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CN(Cc2cccc(OCC(F)(F)F)c2Br)CCO1 ZINC000662248112 565358160 /nfs/dbraw/zinc/35/81/60/565358160.db2.gz UBKFAVRPLPERSL-ZWNOBZJWSA-N 1 0 397.235 2.938 20 0 GFADRO Cc1ccc(NC(=O)CN2CCO[C@@H](CCC[NH+](C)C)C2)c(Br)c1 ZINC000662323524 565360811 /nfs/dbraw/zinc/36/08/11/565360811.db2.gz XLDDVVKZOIWZCR-HNNXBMFYSA-N 1 0 398.345 2.739 20 0 GFADRO O=C(c1cc(Br)cc2c1OCCO2)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000662337383 565362362 /nfs/dbraw/zinc/36/23/62/565362362.db2.gz ACVUDAXACLYILA-SWLSCSKDSA-N 1 0 395.297 2.825 20 0 GFADRO C[N@@H+]1CCC[C@@H](NC(=O)N2CCO[C@@H](c3ccc(Br)cc3)C2)C1 ZINC000619937830 565364059 /nfs/dbraw/zinc/36/40/59/565364059.db2.gz MMMJRJRXTSCCLW-HZPDHXFCSA-N 1 0 382.302 2.626 20 0 GFADRO O=C(c1cccc2c1C[NH2+]C2)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000662392184 565364810 /nfs/dbraw/zinc/36/48/10/565364810.db2.gz QABPFJKXPWIIHQ-UHFFFAOYSA-N 1 0 377.275 2.954 20 0 GFADRO [NH3+]CC1(CCNC(=O)c2ccc(Cl)c(I)c2)CC1 ZINC000593914408 565367355 /nfs/dbraw/zinc/36/73/55/565367355.db2.gz KGZBOEZFBWZFKB-UHFFFAOYSA-N 1 0 378.641 2.803 20 0 GFADRO CC(C)OC[C@H]([NH3+])C(=O)NC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000662450871 565368314 /nfs/dbraw/zinc/36/83/14/565368314.db2.gz HPDWNUVDYUPEPU-KRWDZBQOSA-N 1 0 388.339 2.826 20 0 GFADRO [NH3+]C[C@@H]1OCC[C@H]1C(=O)Nc1ncc(Cc2ccc(Br)cc2)s1 ZINC000662457653 565370363 /nfs/dbraw/zinc/37/03/63/565370363.db2.gz CNKNNFXPFSBSTK-KGLIPLIRSA-N 1 0 396.310 2.799 20 0 GFADRO CCOc1c(Cl)cc(CNC(=O)[C@@]2(C(F)(F)F)CC[NH2+]C2)cc1OC ZINC000662502494 565372534 /nfs/dbraw/zinc/37/25/34/565372534.db2.gz MEEABLCKYPEQAX-OAHLLOKOSA-N 1 0 380.794 2.906 20 0 GFADRO O=C(NCCc1cc(Cl)ccc1Br)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC000662505706 565372958 /nfs/dbraw/zinc/37/29/58/565372958.db2.gz ORICKEMLQDBZAV-LLVKDONJSA-N 1 0 397.704 2.875 20 0 GFADRO CC[NH+]1CCN(CCC(=O)Nc2ccc(F)c(Br)c2F)CC1 ZINC000620160378 565373201 /nfs/dbraw/zinc/37/32/01/565373201.db2.gz FGYXCRLPIPOJFM-UHFFFAOYSA-N 1 0 376.245 2.693 20 0 GFADRO CC(C)OC(=O)C[C@H]([NH2+]CC(=O)Nc1ccc(Br)cn1)C(C)C ZINC000594046041 565373364 /nfs/dbraw/zinc/37/33/64/565373364.db2.gz NRXYZUDLXPMNBN-ZDUSSCGKSA-N 1 0 386.290 2.739 20 0 GFADRO C[C@H](NC(=O)[C@H]1[NH2+]CCC1(C)C)c1cc2c(cc1Br)OCCO2 ZINC000662514717 565373714 /nfs/dbraw/zinc/37/37/14/565373714.db2.gz OJYIPKIBFGNNSI-ZUZCIYMTSA-N 1 0 383.286 2.786 20 0 GFADRO COc1ccc(CCC(=O)N2CCC3(CC[NH2+]C3)CC2)c(Br)c1 ZINC000662521145 565373913 /nfs/dbraw/zinc/37/39/13/565373913.db2.gz CIOJAUBGKSUBBT-UHFFFAOYSA-N 1 0 381.314 2.992 20 0 GFADRO CC(C)([NH3+])c1cc(C(=O)N2CCO[C@H](c3ccc(Br)cc3)C2)on1 ZINC000662528832 565374682 /nfs/dbraw/zinc/37/46/82/565374682.db2.gz YBTCBVPPEKXPOZ-AWEZNQCLSA-N 1 0 394.269 2.845 20 0 GFADRO [NH3+][C@@H](CNC(=O)Cc1ccc(Br)c(Br)c1)C1CC1 ZINC000662552331 565377014 /nfs/dbraw/zinc/37/70/14/565377014.db2.gz XMTRIVRYGOAJSK-LBPRGKRZSA-N 1 0 376.092 2.608 20 0 GFADRO CC[C@@H](Cc1ccc(Br)cc1)NC(=O)[C@H](C)N1CCN(C)CC1 ZINC000620338928 565380754 /nfs/dbraw/zinc/38/07/54/565380754.db2.gz AEFSBAINPPOGJT-YOEHRIQHSA-N 1 0 382.346 2.522 20 0 GFADRO CC[C@H](Cc1ccc(Br)cc1)NC(=O)[C@H](C)N1CCN(C)CC1 ZINC000620338927 565381140 /nfs/dbraw/zinc/38/11/40/565381140.db2.gz AEFSBAINPPOGJT-WMLDXEAASA-N 1 0 382.346 2.522 20 0 GFADRO [NH3+]C1(CNC(=O)[C@H](c2ccc(Br)cc2)N2CCCC2)CCCC1 ZINC000662648718 565381249 /nfs/dbraw/zinc/38/12/49/565381249.db2.gz NAWPSTIVTXQFJE-INIZCTEOSA-N 1 0 380.330 2.974 20 0 GFADRO CC1(C)CN(C(=O)c2cn(CCCC[NH3+])nn2)c2cc(Br)ccc21 ZINC000662692250 565381573 /nfs/dbraw/zinc/38/15/73/565381573.db2.gz NFPGWNDTDWYHEI-UHFFFAOYSA-N 1 0 392.301 2.718 20 0 GFADRO O=C(c1sc2c(c1Br)CNC2)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000662698562 565381690 /nfs/dbraw/zinc/38/16/90/565381690.db2.gz SBXLIQAAVNQMEM-NSHDSACASA-N 1 0 384.343 2.814 20 0 GFADRO CO[C@H](C(=O)N1C[C@@H]([NH+](C)C)[C@@H](SC)C1)c1ccccc1Br ZINC000594333106 565382296 /nfs/dbraw/zinc/38/22/96/565382296.db2.gz TUXNDYWMNYAHSO-ILXRZTDVSA-N 1 0 387.343 2.641 20 0 GFADRO Cn1cc(Br)c(C(=O)N2CC[NH2+]C[C@@H]2c2cccc(Cl)c2)n1 ZINC000662774915 565384950 /nfs/dbraw/zinc/38/49/50/565384950.db2.gz UUEGBHRNHLLOJI-CYBMUJFWSA-N 1 0 383.677 2.623 20 0 GFADRO [NH3+]CC[C@H]1CCCN(C(=O)[C@@H]2CCO[C@H]2c2cncc(Br)c2)C1 ZINC000662773760 565384998 /nfs/dbraw/zinc/38/49/98/565384998.db2.gz JRPFAZCBYPAEGL-WQVCFCJDSA-N 1 0 382.302 2.509 20 0 GFADRO CN(C)Cc1ccc(NC(=O)c2cc(C(C)(C)[NH3+])no2)cc1Br ZINC000662797360 565385454 /nfs/dbraw/zinc/38/54/54/565385454.db2.gz YLLUCMZETGXICA-UHFFFAOYSA-N 1 0 381.274 2.945 20 0 GFADRO O=C(N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662801690 565386270 /nfs/dbraw/zinc/38/62/70/565386270.db2.gz DYZUCGJCPILOCM-BONVTDFDSA-N 1 0 379.785 2.716 20 0 GFADRO C[C@@H](C[NH+](C)C)[C@@H]1CCCCN1S(=O)(=O)c1onc(C2CC2)c1Cl ZINC000641623836 565387453 /nfs/dbraw/zinc/38/74/53/565387453.db2.gz KNMMEZJEVHWGKT-AAEUAGOBSA-N 1 0 375.922 2.946 20 0 GFADRO C[C@@H]1[C@@H](c2ccc(Br)cc2)OCCN1C(=O)[C@H]([NH3+])CC(F)F ZINC000662859373 565388738 /nfs/dbraw/zinc/38/87/38/565388738.db2.gz LDKMOLBYFIHJOH-IUPBHXKESA-N 1 0 377.229 2.720 20 0 GFADRO [NH3+]CCc1ccccc1C(=O)N1CCOc2cc(Br)ccc2C1 ZINC000662939197 565390093 /nfs/dbraw/zinc/39/00/93/565390093.db2.gz LKSAVWBKQWNNPS-UHFFFAOYSA-N 1 0 375.266 2.985 20 0 GFADRO C[C@@]([NH3+])(C(=O)N1CCO[C@](C)(C(F)F)C1)c1ccc(Br)cc1 ZINC000663001737 565392630 /nfs/dbraw/zinc/39/26/30/565392630.db2.gz IZZIKCGPLGMNPA-GJZGRUSLSA-N 1 0 377.229 2.506 20 0 GFADRO CN(CCCC[NH+]1CCCCC1)S(=O)(=O)c1ccc2[nH]c(=O)sc2c1 ZINC000641697253 565395351 /nfs/dbraw/zinc/39/53/51/565395351.db2.gz CDDHHQPXTRPJMB-UHFFFAOYSA-N 1 0 383.539 2.889 20 0 GFADRO CN1CC[N@H+](C)C[C@H]1CNCc1cc(Br)sc1Br ZINC000641720169 565396531 /nfs/dbraw/zinc/39/65/31/565396531.db2.gz DNFXTKJMGAWQJZ-SNVBAGLBSA-N 1 0 397.180 2.609 20 0 GFADRO CC(C)[C@H](C[NH2+]Cc1ccc(S(N)(=O)=O)c(Cl)c1)C(=O)OC(C)(C)C ZINC000594519491 565396635 /nfs/dbraw/zinc/39/66/35/565396635.db2.gz RPUKBFRJAFCTQK-ZDUSSCGKSA-N 1 0 390.933 2.691 20 0 GFADRO FC(F)(F)c1cc(C[NH2+][C@@H]2CCCN(CCN3CCOCC3)C2)cs1 ZINC000641787556 565399459 /nfs/dbraw/zinc/39/94/59/565399459.db2.gz VFRBUWXMCLAVNF-OAHLLOKOSA-N 1 0 377.476 2.653 20 0 GFADRO C[NH+](C)C[C@H]1COC2(CCCC2)CN1C(=O)c1ncsc1Br ZINC000620912780 565401207 /nfs/dbraw/zinc/40/12/07/565401207.db2.gz SUHHRSGWVDGINQ-NSHDSACASA-N 1 0 388.331 2.621 20 0 GFADRO CCC[N@H+](CC)C[C@@H](C)NC(=O)N[C@@H](CO)c1ccc(Br)cc1 ZINC000641943380 565402315 /nfs/dbraw/zinc/40/23/15/565402315.db2.gz QMLQAJBQEAFKGC-CJNGLKHVSA-N 1 0 386.334 2.902 20 0 GFADRO O=C(NCC1CC[NH+](CC2CC2)CC1)c1cn2ccc(Br)cc2n1 ZINC000620936665 565402480 /nfs/dbraw/zinc/40/24/80/565402480.db2.gz OWNLLSNGEPHDER-UHFFFAOYSA-N 1 0 391.313 2.949 20 0 GFADRO COc1ccc(Br)c(CC(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)c1 ZINC000620972052 565403024 /nfs/dbraw/zinc/40/30/24/565403024.db2.gz VTRNNPQKSKMIDW-INIZCTEOSA-N 1 0 399.329 2.569 20 0 GFADRO C[NH+](C)CCC[C@@H]1CN(C(=O)c2cc(Br)cc3nc[nH]c32)CCO1 ZINC000620975892 565403101 /nfs/dbraw/zinc/40/31/01/565403101.db2.gz CUUOXXNQOVXDOQ-CYBMUJFWSA-N 1 0 395.301 2.508 20 0 GFADRO COc1ccc(CCC(=O)N[C@H]2CC[N@H+](CC3CC3)C2)cc1Br ZINC000594646795 565403027 /nfs/dbraw/zinc/40/30/27/565403027.db2.gz RKGSASOUBJPYHU-HNNXBMFYSA-N 1 0 381.314 2.991 20 0 GFADRO CCOc1c(Br)cc(C(=O)N2CC[NH2+][C@@H](C(C)C)C2)cc1OC ZINC000621148283 565407887 /nfs/dbraw/zinc/40/78/87/565407887.db2.gz LPLNKQVWDQCKKY-CQSZACIVSA-N 1 0 385.302 2.926 20 0 GFADRO NC(=O)[C@@H]([NH2+]C[C@@H]1CCN1Cc1ccccc1)c1ccc(Br)cc1 ZINC000663312464 565411006 /nfs/dbraw/zinc/41/10/06/565411006.db2.gz XZZZBQHWAMQPAC-ROUUACIJSA-N 1 0 388.309 2.840 20 0 GFADRO C[C@H](NC1CC[NH+]([C@@H]2CCOC2)CC1)C(=O)Nc1cccc(Br)c1 ZINC000663304403 565411662 /nfs/dbraw/zinc/41/16/62/565411662.db2.gz QBQWWGKACFTQON-SUMWQHHRSA-N 1 0 396.329 2.619 20 0 GFADRO C[C@@H](NC1CC[NH+]([C@@H]2CCOC2)CC1)C(=O)Nc1ccccc1Br ZINC000663304412 565411766 /nfs/dbraw/zinc/41/17/66/565411766.db2.gz QGBNIWBMXUFWQS-UKRRQHHQSA-N 1 0 396.329 2.619 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)NCC(C)(C)N1CC[NH+](C)CC1 ZINC000642427356 565412761 /nfs/dbraw/zinc/41/27/61/565412761.db2.gz HQMNUGXKNQSYCW-UHFFFAOYSA-N 1 0 383.334 2.905 20 0 GFADRO C[C@H]([NH2+]C[C@H](O)COc1ccc(Cl)cc1Br)c1nccn1C ZINC000663369682 565414703 /nfs/dbraw/zinc/41/47/03/565414703.db2.gz DZBKTQCLKFMTAE-JQWIXIFHSA-N 1 0 388.693 2.927 20 0 GFADRO CC1(C)OCC[C@@H]1C[NH2+]C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000663370026 565414786 /nfs/dbraw/zinc/41/47/86/565414786.db2.gz ISWPZWIUZICHEA-RISCZKNCSA-N 1 0 376.266 2.733 20 0 GFADRO C[C@H]1C[NH+](C(C)(C)CNc2nnc3ccc(Br)cn32)C[C@H](C)O1 ZINC000663366070 565414863 /nfs/dbraw/zinc/41/48/63/565414863.db2.gz GOSYZFILWGQFFN-RYUDHWBXSA-N 1 0 382.306 2.792 20 0 GFADRO C[C@H](CC[NH+]1CCN(C)CC1)N=c1[nH]c2c(cccc2Br)s1 ZINC000621293265 565415689 /nfs/dbraw/zinc/41/56/89/565415689.db2.gz NLYPLRQPICXVLE-GFCCVEGCSA-N 1 0 383.359 2.919 20 0 GFADRO COc1cc(C[NH2+][C@@H]2CCCC[C@H]2N2CCOCC2)c(Br)cn1 ZINC000621285388 565415959 /nfs/dbraw/zinc/41/59/59/565415959.db2.gz XHTYPXRDWMSWHG-HZPDHXFCSA-N 1 0 384.318 2.586 20 0 GFADRO C[C@H](O)[C@H]([NH2+]C[C@@H](O)COc1ccc(Br)cc1)c1ccccc1 ZINC000663376288 565416093 /nfs/dbraw/zinc/41/60/93/565416093.db2.gz QPIXRXCXRXCBFI-XCRHUMRWSA-N 1 0 380.282 2.901 20 0 GFADRO C[C@@H](CC[NH+]1CCN(C)CC1)N=c1[nH]c2c(cccc2Br)s1 ZINC000621293266 565416132 /nfs/dbraw/zinc/41/61/32/565416132.db2.gz NLYPLRQPICXVLE-LBPRGKRZSA-N 1 0 383.359 2.919 20 0 GFADRO C[C@@H](O)[C@@H]([NH2+]CCS(=O)(=O)c1cccc(Br)c1)c1ccccc1 ZINC000663376429 565416930 /nfs/dbraw/zinc/41/69/30/565416930.db2.gz RFRWBTAPBWOCKH-CXAGYDPISA-N 1 0 398.322 2.935 20 0 GFADRO C[C@H](NC(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1)c1c(Cl)ccc(F)c1Cl ZINC000642719771 565417336 /nfs/dbraw/zinc/41/73/36/565417336.db2.gz CVRZRWSVKRXNGV-OUJBWJOFSA-N 1 0 388.270 2.520 20 0 GFADRO Brc1ccccc1-n1nnnc1CN1CCCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000643061809 565420892 /nfs/dbraw/zinc/42/08/92/565420892.db2.gz XLXIYVUEKRVNNW-ZBFHGGJFSA-N 1 0 391.317 2.531 20 0 GFADRO COC(=O)c1c(Cl)cccc1S(=O)(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000594792356 565422038 /nfs/dbraw/zinc/42/20/38/565422038.db2.gz PUGSAFZORIZMFN-GFCCVEGCSA-N 1 0 388.917 2.525 20 0 GFADRO Cc1nc(C)c(Br)c(N2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)n1 ZINC000663486939 565422636 /nfs/dbraw/zinc/42/26/36/565422636.db2.gz WLWKEPCMPRHKBI-OKILXGFUSA-N 1 0 396.377 2.851 20 0 GFADRO Cn1ncc2c1nc(N1CCC[C@H]1Cc1ccccc1Br)nc2N ZINC000643192945 565423403 /nfs/dbraw/zinc/42/34/03/565423403.db2.gz VUMKKGFQGGYDMP-LBPRGKRZSA-N 1 0 387.285 2.920 20 0 GFADRO C[C@H](C[NH+]1CCN(c2ccccc2)CC1)Nc1cc(Br)cnn1 ZINC000663656725 565430694 /nfs/dbraw/zinc/43/06/94/565430694.db2.gz AZJPIADGWKXMLY-CQSZACIVSA-N 1 0 376.302 2.862 20 0 GFADRO O=S(=O)(c1cc(F)ccc1OC(F)F)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000643426608 565433002 /nfs/dbraw/zinc/43/30/02/565433002.db2.gz MPYVJJSDKAZEJZ-QWHCGFSZSA-N 1 0 378.416 2.722 20 0 GFADRO O=C(CC[C@@H]1CCC[NH2+]C1)NCc1nnc(-c2ccc(Br)cc2)[nH]1 ZINC000621631899 565434068 /nfs/dbraw/zinc/43/40/68/565434068.db2.gz MCQKDJPGCXAJIZ-LBPRGKRZSA-N 1 0 392.301 2.630 20 0 GFADRO O=C(CC[C@@H]1CCC[NH2+]C1)N[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000621645937 565434781 /nfs/dbraw/zinc/43/47/81/565434781.db2.gz NZQKKMQCCFRHTJ-GOEBONIOSA-N 1 0 380.330 2.924 20 0 GFADRO CC[N@H+](C)Cc1cccc(CNC(=O)c2cc(Br)c[nH]c2=O)c1 ZINC000621711879 565438295 /nfs/dbraw/zinc/43/82/95/565438295.db2.gz KLZNIZJGDIZDAJ-UHFFFAOYSA-N 1 0 378.270 2.931 20 0 GFADRO COc1ccc(C[NH2+][C@@H]2CCC[C@H]([S@@](C)=O)C2)c(Br)c1O ZINC000594959013 565438470 /nfs/dbraw/zinc/43/84/70/565438470.db2.gz BZOSHWDAGOLARD-SMDDFHAHSA-N 1 0 376.316 2.943 20 0 GFADRO CCCc1ccc(C[N@H+](C)CCOc2ccc(S(N)(=O)=O)cc2F)s1 ZINC000621730579 565439886 /nfs/dbraw/zinc/43/98/86/565439886.db2.gz PONXPGNKTHJANL-UHFFFAOYSA-N 1 0 386.514 2.998 20 0 GFADRO CC(C)N1CC[C@@H]([NH2+][C@H]2CCc3ccc(I)cc32)C1=O ZINC000595019240 565443801 /nfs/dbraw/zinc/44/38/01/565443801.db2.gz KUSUZFQMVODAKH-LSDHHAIUSA-N 1 0 384.261 2.877 20 0 GFADRO CC[NH+]1CCC(n2nccc2NC(=O)c2cc(Br)c[nH]c2=O)CC1 ZINC000621840111 565444126 /nfs/dbraw/zinc/44/41/26/565444126.db2.gz DDGSXHFEMKSRFJ-UHFFFAOYSA-N 1 0 394.273 2.655 20 0 GFADRO C[C@H]1CN(C(=O)NCC(F)(F)c2ccc(Br)cc2)CC[C@H]1[NH3+] ZINC000621851369 565444633 /nfs/dbraw/zinc/44/46/33/565444633.db2.gz RVPAZSVVAYRAHP-GXFFZTMASA-N 1 0 376.245 2.920 20 0 GFADRO CCOC1CC(O)(C[NH2+][C@H]2CCc3ccc(I)cc32)C1 ZINC000595048963 565445479 /nfs/dbraw/zinc/44/54/79/565445479.db2.gz SZHIJDGAKCWIBP-SIWZUTFBSA-N 1 0 387.261 2.798 20 0 GFADRO CCSC1(C[NH2+][C@H](C)c2cccc(S(=O)(=O)N3CCOCC3)c2)CC1 ZINC000595098901 565448166 /nfs/dbraw/zinc/44/81/66/565448166.db2.gz JJPAZJAOONMOOK-OAHLLOKOSA-N 1 0 384.567 2.644 20 0 GFADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)c1cc(F)c[nH]c1=O ZINC000621921832 565448644 /nfs/dbraw/zinc/44/86/44/565448644.db2.gz CCNUKYZOFCFVHH-UHFFFAOYSA-N 1 0 396.260 2.893 20 0 GFADRO Brc1ccc2nnc(NCC3CC[NH+](C4CCOCC4)CC3)n2c1 ZINC000664153103 565453588 /nfs/dbraw/zinc/45/35/88/565453588.db2.gz MPEQLRMEYNBKGO-UHFFFAOYSA-N 1 0 394.317 2.795 20 0 GFADRO C[C@@H](CNC(=O)[C@@H]1C[NH2+]CCC1(F)F)Oc1ccc(Br)cc1 ZINC000643984130 565454116 /nfs/dbraw/zinc/45/41/16/565454116.db2.gz XSCNFAOGPPGOLJ-GWCFXTLKSA-N 1 0 377.229 2.577 20 0 GFADRO [NH3+][C@@]12CCC[C@H]1CN(S(=O)(=O)c1csc(-c3ccc(Cl)cc3)n1)C2 ZINC000622013872 565455270 /nfs/dbraw/zinc/45/52/70/565455270.db2.gz WRKMOTTWEXIAEL-BLLLJJGKSA-N 1 0 383.926 2.965 20 0 GFADRO CN(CCOc1ccc(Br)cc1)C(=O)[C@@H]1C[NH2+]CCC1(F)F ZINC000644009034 565455383 /nfs/dbraw/zinc/45/53/83/565455383.db2.gz NNMGONGCCLWGBY-ZDUSSCGKSA-N 1 0 377.229 2.531 20 0 GFADRO [NH3+]CC12CC(C1)CN2C(=O)Nc1ccc(I)cc1Cl ZINC000595232827 565457135 /nfs/dbraw/zinc/45/71/35/565457135.db2.gz ZURQWZXLIZQYDW-UHFFFAOYSA-N 1 0 391.640 2.900 20 0 GFADRO COC(=O)c1cc(NC(=O)NCC2([NH3+])CCCC2)c(C)cc1Br ZINC000595231901 565457206 /nfs/dbraw/zinc/45/72/06/565457206.db2.gz HEDPNZJBYBPIRG-UHFFFAOYSA-N 1 0 384.274 2.937 20 0 GFADRO COc1nc(NCC2CC[NH+](Cc3ccncc3)CC2)ncc1Br ZINC000664282690 565458223 /nfs/dbraw/zinc/45/82/23/565458223.db2.gz GVXHMKKDUUJHDO-UHFFFAOYSA-N 1 0 392.301 2.967 20 0 GFADRO CC(C)[C@H](C(=O)Nc1nc2cc(I)ccc2[nH]1)[C@@H](C)[NH3+] ZINC000595259375 565460060 /nfs/dbraw/zinc/46/00/60/565460060.db2.gz LPGJFSJQUJWHOY-PELKAZGASA-N 1 0 386.237 2.725 20 0 GFADRO C[C@H](C(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+])c1c(Cl)cccc1Cl ZINC000644123930 565460044 /nfs/dbraw/zinc/46/00/44/565460044.db2.gz YQPHVAHWIFJQKX-QWHCGFSZSA-N 1 0 386.323 2.943 20 0 GFADRO COCC[C@@H](Cc1cccc(Br)c1)C(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000644143703 565460421 /nfs/dbraw/zinc/46/04/21/565460421.db2.gz CLWIDPUHIFCXIR-RDJZCZTQSA-N 1 0 395.341 2.903 20 0 GFADRO C[C@H](C[NH+]1CCC(C)CC1)Nc1ccc(S(N)(=O)=O)c(C(F)(F)F)c1 ZINC000664455443 565463367 /nfs/dbraw/zinc/46/33/67/565463367.db2.gz BFUXFEVHZKRQOD-GFCCVEGCSA-N 1 0 379.448 2.885 20 0 GFADRO COC(=O)[C@@H](c1ccc(Cl)c(Cl)c1)N(C)C[C@H](O)C[N@H+](C)C(C)C ZINC000595370002 565469714 /nfs/dbraw/zinc/46/97/14/565469714.db2.gz JHDTZLCHLJRAQL-CZUORRHYSA-N 1 0 377.312 2.840 20 0 GFADRO CC[N@H+](CCNC(=O)N1CCO[C@H](CC(F)(F)F)C1)CCC(F)(F)F ZINC000664747166 565476474 /nfs/dbraw/zinc/47/64/74/565476474.db2.gz MVRAHCGEYSCPBQ-LLVKDONJSA-N 1 0 379.345 2.624 20 0 GFADRO O[C@@]1(C(F)(F)F)CC[C@@H]([NH2+]Cc2cn(-c3ccc(F)c(Cl)c3)nn2)C1 ZINC000644428526 565476989 /nfs/dbraw/zinc/47/69/89/565476989.db2.gz XBXBMLQABALSBP-OTYXRUKQSA-N 1 0 378.757 2.995 20 0 GFADRO C[C@H](C[NH2+]C[C@@H](c1ccc(Cl)cc1)N1CCOC(C)(C)C1)S(C)(=O)=O ZINC000644545416 565480303 /nfs/dbraw/zinc/48/03/03/565480303.db2.gz VAHSUKQWMJJYSU-PBHICJAKSA-N 1 0 388.961 2.515 20 0 GFADRO CC(=O)NC1CCC([NH2+]C[C@H](O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000644536511 565480773 /nfs/dbraw/zinc/48/07/73/565480773.db2.gz BCAOHNYXCWPPAL-RUXDESIVSA-N 1 0 375.296 2.770 20 0 GFADRO COc1cccc(C[NH2+]C[C@H](O)COc2cc(F)cc(Br)c2)n1 ZINC000644533222 565480899 /nfs/dbraw/zinc/48/08/99/565480899.db2.gz ZSZNBWOXIBBSIZ-AWEZNQCLSA-N 1 0 385.233 2.521 20 0 GFADRO CN(C)C(=O)[C@@H]1CCC[C@@H]([NH2+]C[C@@H](O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000644567862 565483117 /nfs/dbraw/zinc/48/31/17/565483117.db2.gz RUDMAPOUPWYFFR-MGPQQGTHSA-N 1 0 389.323 2.970 20 0 GFADRO O[C@H](C[NH2+][C@@H]1CCN(c2ccccn2)C1)COc1ccc(Cl)c(Cl)c1 ZINC000644608385 565484034 /nfs/dbraw/zinc/48/40/34/565484034.db2.gz HJKVLWSSESQNBR-ZIAGYGMSSA-N 1 0 382.291 2.997 20 0 GFADRO C[C@H](C[C@@H]1CCOC1)[NH2+]CCS(=O)(=O)c1cccc(Br)c1 ZINC000644593528 565484331 /nfs/dbraw/zinc/48/43/31/565484331.db2.gz DHGHQPNDGPGKLD-OLZOCXBDSA-N 1 0 376.316 2.628 20 0 GFADRO CCCN1C[C@H](C[NH2+]C[C@@H](O)COc2ccc(Cl)c(Cl)c2)CC1=O ZINC000644673260 565489091 /nfs/dbraw/zinc/48/90/91/565489091.db2.gz ACBVUDHURCUKSO-QWHCGFSZSA-N 1 0 375.296 2.581 20 0 GFADRO C[N@@H+]1C[C@H]2CCN(Cc3nc(Cc4cccc(Br)c4)no3)[C@@H]2C1 ZINC000644734081 565490776 /nfs/dbraw/zinc/49/07/76/565490776.db2.gz ZKLMOSAZGUPFEZ-UKRRQHHQSA-N 1 0 377.286 2.559 20 0 GFADRO C[N@@H+]1C[C@@H]2CCN(Cc3nc(Cc4cccc(Br)c4)no3)[C@@H]2C1 ZINC000644734079 565491097 /nfs/dbraw/zinc/49/10/97/565491097.db2.gz ZKLMOSAZGUPFEZ-DZGCQCFKSA-N 1 0 377.286 2.559 20 0 GFADRO [NH3+][C@H]1CCc2ncc(NC(=O)c3nc(C4CC4)ncc3Br)cc2C1 ZINC000623068446 565493095 /nfs/dbraw/zinc/49/30/95/565493095.db2.gz AALGVHDNXVJCKS-NSHDSACASA-N 1 0 388.269 2.580 20 0 GFADRO CS(=O)(=O)c1cccc(Cl)c1C[NH2+]CC1CCN(CC(F)F)CC1 ZINC000623089694 565495236 /nfs/dbraw/zinc/49/52/36/565495236.db2.gz UKXIQJDVEPDKGH-UHFFFAOYSA-N 1 0 380.888 2.810 20 0 GFADRO [NH3+]CC12CC(C1)CN2C(=O)c1ccc(I)c(Cl)c1 ZINC000595943406 565501355 /nfs/dbraw/zinc/50/13/55/565501355.db2.gz ONOFHXMWCQFLGJ-UHFFFAOYSA-N 1 0 376.625 2.508 20 0 GFADRO CCC(CC)(C[NH3+])C(=O)Nc1nc2cc(I)ccc2[nH]1 ZINC000595981146 565503329 /nfs/dbraw/zinc/50/33/29/565503329.db2.gz NIEWXHZAXPKLMJ-UHFFFAOYSA-N 1 0 386.237 2.871 20 0 GFADRO C[C@H](NC(=O)N1CC[C@H]([NH+]2CCCCC2)C1)c1ncc(Br)cn1 ZINC000644969117 565505161 /nfs/dbraw/zinc/50/51/61/565505161.db2.gz AHBXVAWJODBNCC-JSGCOSHPSA-N 1 0 382.306 2.570 20 0 GFADRO COC(=O)c1sc2c(c1Br)CN(C(=O)[C@H]1CC[C@@H](C3CC3)[NH2+]1)C2 ZINC000596007113 565505651 /nfs/dbraw/zinc/50/56/51/565505651.db2.gz ZVZDQDQRHOMFQM-WDEREUQCSA-N 1 0 399.310 2.670 20 0 GFADRO COc1cc(C[NH2+]CCS(=O)(=O)NCC2CCC2)cc(C(F)(F)F)c1 ZINC000623411376 565509649 /nfs/dbraw/zinc/50/96/49/565509649.db2.gz BRKYCZYGCYFMSB-UHFFFAOYSA-N 1 0 380.432 2.523 20 0 GFADRO COc1ncc(Br)cc1CNC(=O)NCC[N@@H+]1CCCC[C@@H]1C ZINC000623461446 565512499 /nfs/dbraw/zinc/51/24/99/565512499.db2.gz LFRXPMZPKXNZIE-LBPRGKRZSA-N 1 0 385.306 2.526 20 0 GFADRO C[C@]([NH3+])(C(=O)NCCCN1CCCCCC1=O)c1ccc(Br)cc1 ZINC000645158745 565514356 /nfs/dbraw/zinc/51/43/56/565514356.db2.gz GGYYUOLMDBTLHO-GOSISDBHSA-N 1 0 396.329 2.532 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)C[C@@H]1CCCC[C@@H]1[NH3+] ZINC000645164499 565514823 /nfs/dbraw/zinc/51/48/23/565514823.db2.gz OKHPETIUWNHIQD-JSGCOSHPSA-N 1 0 382.302 2.720 20 0 GFADRO CC[C@@H](CO)[NH2+]Cc1cc(Cl)cc(Cl)c1OCCN1CCOCC1 ZINC000623502410 565515266 /nfs/dbraw/zinc/51/52/66/565515266.db2.gz IGPFKMRIZDGJBJ-HNNXBMFYSA-N 1 0 377.312 2.565 20 0 GFADRO O=C(Cc1ccc(Br)c(Cl)c1)N[C@H](CO)C[NH+]1CCCCC1 ZINC000665885192 565515627 /nfs/dbraw/zinc/51/56/27/565515627.db2.gz KOGAOVFMSJQQKE-ZDUSSCGKSA-N 1 0 389.721 2.608 20 0 GFADRO C[C@@H]1[C@@H]([NH+](C)C)CCN1c1ncnc2cc(I)sc21 ZINC000596243147 565516920 /nfs/dbraw/zinc/51/69/20/565516920.db2.gz AZBAFRZOBXCVBF-SCZZXKLOSA-N 1 0 388.278 2.825 20 0 GFADRO C[C@H]1C[C@H]([NH2+]Cc2cc(Cl)cc(Cl)c2OCCN2CCOCC2)CO1 ZINC000623558967 565518175 /nfs/dbraw/zinc/51/81/75/565518175.db2.gz ONVRGEUEBILCTO-BBRMVZONSA-N 1 0 389.323 2.971 20 0 GFADRO COc1cc2[nH+]ccc(NCCCc3ncn(C)n3)c2cc1Br ZINC000645320179 565519780 /nfs/dbraw/zinc/51/97/80/565519780.db2.gz JKADBABYYYWKDU-UHFFFAOYSA-N 1 0 376.258 2.601 20 0 GFADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@@H](CO)[C@@H](C)c1ccccc1 ZINC000666100313 565522894 /nfs/dbraw/zinc/52/28/94/565522894.db2.gz DEEYTEKCJLORAA-KEYYUXOJSA-N 1 0 379.298 2.754 20 0 GFADRO CC(C)[C@@H](C[NH2+][C@H](C)Cn1cc(Br)ccc1=O)c1ccnn1C ZINC000666131744 565524705 /nfs/dbraw/zinc/52/47/05/565524705.db2.gz XGBXORXTAFKBOT-UKRRQHHQSA-N 1 0 381.318 2.762 20 0 GFADRO CO[C@@H](CS(=O)(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1)C(C)C ZINC000645445122 565526003 /nfs/dbraw/zinc/52/60/03/565526003.db2.gz NNOKEZHRJROJPL-SFHVURJKSA-N 1 0 388.961 2.895 20 0 GFADRO O=C(Nc1ccc(F)c(Br)c1)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000666226758 565527545 /nfs/dbraw/zinc/52/75/45/565527545.db2.gz RKYKVNOLPYJDBN-ZDUSSCGKSA-N 1 0 386.265 2.963 20 0 GFADRO O[C@@H]1CCN(CC[NH2+]Cc2cnc(-c3ccc(Br)cc3)s2)C1 ZINC000623758930 565528882 /nfs/dbraw/zinc/52/88/82/565528882.db2.gz SPELWIFKUXUBFZ-CQSZACIVSA-N 1 0 382.327 2.729 20 0 GFADRO Fc1cc(Br)ccc1C[NH2+]C[C@H]1CN(Cc2ccncc2)CCO1 ZINC000623780256 565530006 /nfs/dbraw/zinc/53/00/06/565530006.db2.gz FDOFCFLOWOPNMF-KRWDZBQOSA-N 1 0 394.288 2.974 20 0 GFADRO Cc1cc(C[NH2+]C[C@@H]2CN(Cc3ccncc3)CCO2)ncc1Br ZINC000623783404 565530106 /nfs/dbraw/zinc/53/01/06/565530106.db2.gz LKLJOMJBRXYZMV-QGZVFWFLSA-N 1 0 391.313 2.538 20 0 GFADRO CN(CC[N@H+](C)C1CCCCC1)S(=O)(=O)c1ncccc1C(F)(F)F ZINC000645494595 565531835 /nfs/dbraw/zinc/53/18/35/565531835.db2.gz XONLLSSIMFFXGR-UHFFFAOYSA-N 1 0 379.448 2.985 20 0 GFADRO C[C@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+]CC1(C(N)=O)CCOCC1 ZINC000623862402 565532407 /nfs/dbraw/zinc/53/24/07/565532407.db2.gz SNFKRDAJQGFFAD-SNVBAGLBSA-N 1 0 379.810 2.557 20 0 GFADRO O=S(=O)(CCOCC1CCC1)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000645503699 565532480 /nfs/dbraw/zinc/53/24/80/565532480.db2.gz JOSFTUOLOVEZQX-KRWDZBQOSA-N 1 0 386.583 2.696 20 0 GFADRO COc1ncc(Br)cc1CNC(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000623955205 565536481 /nfs/dbraw/zinc/53/64/81/565536481.db2.gz QTSOQEGHWHUUBQ-UHFFFAOYSA-N 1 0 399.333 2.774 20 0 GFADRO CCOCCOC[C@H](O)C[NH2+][C@H](C)c1cc(F)c(Br)cc1F ZINC000623970194 565537887 /nfs/dbraw/zinc/53/78/87/565537887.db2.gz HUNVGIURYARFLC-GHMZBOCLSA-N 1 0 382.245 2.792 20 0 GFADRO C[C@@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH2+][C@H]1C[C@H](C(N)=O)C1 ZINC000624130164 565543598 /nfs/dbraw/zinc/54/35/98/565543598.db2.gz GKEHDIQPFSTYMI-QXEWZRGKSA-N 1 0 377.794 2.929 20 0 GFADRO C[C@H]([NH2+][C@H]1CCN(c2ccc3nncn3n2)C1)c1sccc1Br ZINC000624114890 565544026 /nfs/dbraw/zinc/54/40/26/565544026.db2.gz JNOLVZPYIWHKGI-QWRGUYRKSA-N 1 0 393.314 2.878 20 0 GFADRO Cn1cc(Br)c(C(=O)N2CC[C@@H]([N@H+](C)Cc3ccccc3)C2)n1 ZINC000645636669 565546718 /nfs/dbraw/zinc/54/67/18/565546718.db2.gz ALJSTCOLUPZABS-CQSZACIVSA-N 1 0 377.286 2.529 20 0 GFADRO C[NH+](C)C[C@H]1CCN(C(=O)Nc2ccc(I)cc2F)C1 ZINC000597024602 565548276 /nfs/dbraw/zinc/54/82/76/565548276.db2.gz MDGOJQKQQHHAIP-SNVBAGLBSA-N 1 0 391.228 2.846 20 0 GFADRO Cc1cccc2cc(S(=O)(=O)N[C@@H](C)CCN3CC[NH+](C)CC3)sc21 ZINC000645655872 565548977 /nfs/dbraw/zinc/54/89/77/565548977.db2.gz YYTLWXUVLWXBAC-HNNXBMFYSA-N 1 0 381.567 2.514 20 0 GFADRO COC(=O)c1ccc(C[NH2+]C[C@@H]2CS(=O)(=O)c3ccccc32)cc1Cl ZINC000597134658 565552820 /nfs/dbraw/zinc/55/28/20/565552820.db2.gz JSZZANOKGLRTFV-CYBMUJFWSA-N 1 0 379.865 2.787 20 0 GFADRO [NH3+]C[C@H]1CN(S(=O)(=O)c2ccccc2C(F)(F)F)CC[C@@H]1C(F)(F)F ZINC000624389591 565554758 /nfs/dbraw/zinc/55/47/58/565554758.db2.gz DWJJPGIFSHRDLW-UWVGGRQHSA-N 1 0 390.349 2.853 20 0 GFADRO CCCOc1ccc(S(=O)(=O)N2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1 ZINC000624390566 565554882 /nfs/dbraw/zinc/55/48/82/565554882.db2.gz DNPYMMKXUGBLSO-IUODEOHRSA-N 1 0 380.432 2.623 20 0 GFADRO [NH3+]C[C@@H]1CN(S(=O)(=O)C[C@H]2CCCCC2(F)F)CC[C@H]1C(F)(F)F ZINC000624391844 565554901 /nfs/dbraw/zinc/55/49/01/565554901.db2.gz FDWHZOUDCMRXKJ-IJLUTSLNSA-N 1 0 378.407 2.601 20 0 GFADRO [NH3+]C[C@H]1CN(S(=O)(=O)Cc2ccc(F)c(Cl)c2)CC[C@@H]1C(F)(F)F ZINC000624390989 565554911 /nfs/dbraw/zinc/55/49/11/565554911.db2.gz NTKRMBLGOMNHCQ-QWRGUYRKSA-N 1 0 388.814 2.768 20 0 GFADRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)s2)CC[C@@H]1C(F)(F)F ZINC000624392676 565555743 /nfs/dbraw/zinc/55/57/43/565555743.db2.gz XBLFCJCDSAOSQR-SFYZADRCSA-N 1 0 396.378 2.915 20 0 GFADRO C[C@]12C[NH2+]C[C@@]1(C)CN(S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F)C2 ZINC000624412323 565556702 /nfs/dbraw/zinc/55/67/02/565556702.db2.gz URWSETUSERUBBU-OKILXGFUSA-N 1 0 382.835 2.979 20 0 GFADRO C[N@@H+]1CCC[C@H](NC(=O)NCc2cc(Br)ccc2OC(F)F)C1 ZINC000624415713 565557186 /nfs/dbraw/zinc/55/71/86/565557186.db2.gz UFOZFYMCQZZWPJ-LBPRGKRZSA-N 1 0 392.244 2.944 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)NC[C@@H](n1cccn1)C(F)(F)F)c1cccs1 ZINC000624487339 565559396 /nfs/dbraw/zinc/55/93/96/565559396.db2.gz HDYWXALBXACYBL-WCQYABFASA-N 1 0 375.420 2.650 20 0 GFADRO COc1cccc(OC(F)(F)F)c1C(=O)N1C[C@@H]([NH+](C)C)[C@@H](SC)C1 ZINC000597446267 565561489 /nfs/dbraw/zinc/56/14/89/565561489.db2.gz LYVDVEAWBONPIE-MFKMUULPSA-N 1 0 378.416 2.711 20 0 GFADRO CCC[N@@H+]1CC[C@@H](NC(=O)N[C@H](CCO)c2ccccc2Br)C1 ZINC000666924052 565563883 /nfs/dbraw/zinc/56/38/83/565563883.db2.gz XMRHKILUABVYDP-CZUORRHYSA-N 1 0 384.318 2.656 20 0 GFADRO O=C([C@@H]1C[C@H]1C1CC[NH2+]CC1)N1CCO[C@@H](c2cccc(Br)c2)C1 ZINC000645821876 565565182 /nfs/dbraw/zinc/56/51/82/565565182.db2.gz JPWJJTQCSWISMY-RCCFBDPRSA-N 1 0 393.325 2.985 20 0 GFADRO CN(C(=O)Nc1ccc(=O)n(Cc2ccc(Cl)c(Cl)c2)c1)C1C[NH2+]C1 ZINC000666977398 565565728 /nfs/dbraw/zinc/56/57/28/565565728.db2.gz OVAHKXUMMKXXKY-UHFFFAOYSA-N 1 0 381.263 2.639 20 0 GFADRO C[N@@H+]1CCCC[C@H](CNC(=O)NCC(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000624616872 565565829 /nfs/dbraw/zinc/56/58/29/565565829.db2.gz OVOPJHUBXGQEBU-GFCCVEGCSA-N 1 0 387.311 2.963 20 0 GFADRO COc1ncc(Br)cc1CNC(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000624632048 565568049 /nfs/dbraw/zinc/56/80/49/565568049.db2.gz FREFMBIQGFFGQG-ZDUSSCGKSA-N 1 0 399.333 2.772 20 0 GFADRO C[NH+]1CCC2(CC1)CN(S(=O)(=O)Cc1cc(Cl)cc(Cl)c1)CCO2 ZINC000645856053 565568305 /nfs/dbraw/zinc/56/83/05/565568305.db2.gz HLUYUQXBAJULHQ-UHFFFAOYSA-N 1 0 393.336 2.620 20 0 GFADRO CN1CCOC[C@H]1CNC(=O)N1CCC[C@H]1c1ccc(Br)s1 ZINC000624734510 565573488 /nfs/dbraw/zinc/57/34/88/565573488.db2.gz ZVMRWNKPCWRIFH-NEPJUHHUSA-N 1 0 388.331 2.688 20 0 GFADRO Cc1cc(Br)c(F)cc1S(=O)(=O)NC1CC[NH+](C2CC2)CC1 ZINC000624819908 565578186 /nfs/dbraw/zinc/57/81/86/565578186.db2.gz AYJMCIIQUMWSJH-UHFFFAOYSA-N 1 0 391.306 2.802 20 0 GFADRO O=C(NCC[NH2+]C1CC1)Nc1cccc(Oc2ncc(Br)cn2)c1 ZINC000667236621 565578959 /nfs/dbraw/zinc/57/89/59/565578959.db2.gz VWMMHEKUSZEEEB-UHFFFAOYSA-N 1 0 392.257 2.905 20 0 GFADRO C[N@@H+]1CC[C@H](C(=O)NCc2cc(Cl)ccc2I)C1 ZINC000597899029 565580933 /nfs/dbraw/zinc/58/09/33/565580933.db2.gz WBCGHOPHKWUFPG-VIFPVBQESA-N 1 0 378.641 2.513 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)Cc2cccc(I)c2)C1 ZINC000597921900 565581952 /nfs/dbraw/zinc/58/19/52/565581952.db2.gz HNRIUSXWTKCYBE-CQSZACIVSA-N 1 0 386.277 2.823 20 0 GFADRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NCc1csc(C(F)(F)F)c1 ZINC000624931900 565583910 /nfs/dbraw/zinc/58/39/10/565583910.db2.gz ZSEBFUGXAFYTFH-NSHDSACASA-N 1 0 379.448 2.754 20 0 GFADRO CCC(F)(F)C(C)(C)CS(=O)(=O)N(CC[NH+](C)C)Cc1ccccn1 ZINC000624962023 565585826 /nfs/dbraw/zinc/58/58/26/565585826.db2.gz QNNSTYXALCZITD-UHFFFAOYSA-N 1 0 377.501 2.847 20 0 GFADRO CNC(=O)[C@]1(C(F)(F)F)CC[N@H+](CCOc2ccc(Br)cc2)C1 ZINC000646108826 565586905 /nfs/dbraw/zinc/58/69/05/565586905.db2.gz YSXHPUSNUOXTBZ-AWEZNQCLSA-N 1 0 395.219 2.828 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000646187651 565590386 /nfs/dbraw/zinc/59/03/86/565590386.db2.gz PYEVYTPBBJQUCO-NWDGAFQWSA-N 1 0 385.306 2.511 20 0 GFADRO C[C@H](Sc1ccc(Br)cc1)C(=O)N[C@H](CO)C[NH+]1CCCC1 ZINC000646221214 565591687 /nfs/dbraw/zinc/59/16/87/565591687.db2.gz BQSPWGLLGXHYEU-JSGCOSHPSA-N 1 0 387.343 2.503 20 0 GFADRO C[C@H](NC(=O)COCC[NH3+])c1nc(-c2ccc(Br)cc2)cs1 ZINC000646245853 565591756 /nfs/dbraw/zinc/59/17/56/565591756.db2.gz LAFBZZBEXFFDSB-JTQLQIEISA-N 1 0 384.299 2.725 20 0 GFADRO C[C@@H](Cc1c(Cl)cccc1Cl)NC(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000646273307 565592846 /nfs/dbraw/zinc/59/28/46/565592846.db2.gz PQDRWRAPYBSKSG-NWDGAFQWSA-N 1 0 382.295 2.698 20 0 GFADRO C[NH+](C)CCN(Cc1cccs1)S(=O)(=O)CCc1c(F)cccc1F ZINC000625049974 565592988 /nfs/dbraw/zinc/59/29/88/565592988.db2.gz DDRQCNMGTCOLNV-UHFFFAOYSA-N 1 0 388.505 2.962 20 0 GFADRO O=C(Nc1cc(C(F)(F)F)ccc1Cl)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000667538368 565593564 /nfs/dbraw/zinc/59/35/64/565593564.db2.gz CDGNCEMKLGTDOE-ZANVPECISA-N 1 0 375.778 2.508 20 0 GFADRO C[C@H]1COCC[N@@H+]1C1CCN(C(=O)c2ccc(Br)cc2F)CC1 ZINC000646315830 565596353 /nfs/dbraw/zinc/59/63/53/565596353.db2.gz PFVPFDYTJMOBHP-LBPRGKRZSA-N 1 0 385.277 2.914 20 0 GFADRO CN(CC1C[NH+](C)C1)C(=O)c1ccc(I)cc1Cl ZINC000598165931 565597119 /nfs/dbraw/zinc/59/71/19/565597119.db2.gz ZWMJPQRSMCKYQA-UHFFFAOYSA-N 1 0 378.641 2.578 20 0 GFADRO COCC[C@H](Cc1cccc(Br)c1)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000646336772 565597925 /nfs/dbraw/zinc/59/79/25/565597925.db2.gz DNZWPQRLXCVULG-NUJGCVRESA-N 1 0 395.341 2.855 20 0 GFADRO O=C(Nc1ccn(-c2ccc(Br)cc2)n1)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000667639576 565598309 /nfs/dbraw/zinc/59/83/09/565598309.db2.gz XCBBQALFDLLWNJ-DOMZBBRYSA-N 1 0 390.285 2.851 20 0 GFADRO CCC(=O)N[C@H]1CCCN([C@H]2CCc3cc(Br)ccc3NC2=O)C1 ZINC000625119193 565600167 /nfs/dbraw/zinc/60/01/67/565600167.db2.gz MPKVURYWORLJTP-HOCLYGCPSA-N 1 0 394.313 2.693 20 0 GFADRO C[C@H](CC(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1)n1cc(Br)cn1 ZINC000646379445 565601110 /nfs/dbraw/zinc/60/11/10/565601110.db2.gz QFQNAUXNLUKPMA-RBSFLKMASA-N 1 0 383.334 2.835 20 0 GFADRO CN1CC[NH+](CC2CN(C(=O)[C@@H]3C[C@@H]3c3ccc(Cl)cc3Cl)C2)CC1 ZINC000646458449 565603197 /nfs/dbraw/zinc/60/31/97/565603197.db2.gz YUXHMLQVKMNFPC-IAGOWNOFSA-N 1 0 382.335 2.803 20 0 GFADRO C[C@H](Cc1ccc(Br)cc1)C(=O)N1CCOC[C@H]1[C@@H]1CCC[N@@H+]1C ZINC000646454216 565603972 /nfs/dbraw/zinc/60/39/72/565603972.db2.gz BGURPLSRAOIPQY-JLSDUUJJSA-N 1 0 395.341 2.949 20 0 GFADRO CSc1cc(F)ccc1NC(=O)C(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000646559468 565609173 /nfs/dbraw/zinc/60/91/73/565609173.db2.gz GKBABKACBUFDTH-CYBMUJFWSA-N 1 0 381.498 2.967 20 0 GFADRO CCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(I)cc2F)C1 ZINC000598343916 565610599 /nfs/dbraw/zinc/61/05/99/565610599.db2.gz YJRPWTUQKOEKET-LLVKDONJSA-N 1 0 376.213 2.644 20 0 GFADRO Brc1ccc(C[NH2+][C@@H]2CO[C@@H](C3CC3)C2)c(N2CCOCC2)c1 ZINC000667909187 565612090 /nfs/dbraw/zinc/61/20/90/565612090.db2.gz NSRIOBIYPDPKNA-FUHWJXTLSA-N 1 0 381.314 2.943 20 0 GFADRO CC[NH+]1CCC(N(C)C(=O)c2cc(Br)cc3c2OCCO3)CC1 ZINC000667997880 565617443 /nfs/dbraw/zinc/61/74/43/565617443.db2.gz DWUVQKUEUSDCIT-UHFFFAOYSA-N 1 0 383.286 2.777 20 0 GFADRO CCCN(C(=O)C(=O)Nc1cc(Br)ccc1C)[C@H]1CC[N@H+](C)C1 ZINC000646766744 565617399 /nfs/dbraw/zinc/61/73/99/565617399.db2.gz AGWZUBFKPNSVHU-AWEZNQCLSA-N 1 0 382.302 2.639 20 0 GFADRO CCCN(C(=O)C(=O)Nc1cc(C)cc(Br)c1)[C@H]1CC[N@H+](C)C1 ZINC000646764154 565617767 /nfs/dbraw/zinc/61/77/67/565617767.db2.gz OFFDJQYNWYQRTD-HNNXBMFYSA-N 1 0 382.302 2.639 20 0 GFADRO CN(CCC[NH3+])C(=O)c1ccc(NC(=O)c2ccc(Br)o2)cc1 ZINC000646782311 565618940 /nfs/dbraw/zinc/61/89/40/565618940.db2.gz QFNNOERRRDZOJA-UHFFFAOYSA-N 1 0 380.242 2.715 20 0 GFADRO CCC[N@H+](C)CC(C)(C)NC(=O)c1cncc(I)c1 ZINC000598466781 565620063 /nfs/dbraw/zinc/62/00/63/565620063.db2.gz VAVGLTQIIJCPKP-UHFFFAOYSA-N 1 0 375.254 2.536 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CN(C(=O)CCCCOc2ccc(Br)cc2)CCO1 ZINC000646844843 565622953 /nfs/dbraw/zinc/62/29/53/565622953.db2.gz BQCJYRGPFZOKKQ-CZUORRHYSA-N 1 0 385.302 2.573 20 0 GFADRO Cc1ccc(Br)cc1S(=O)(=O)NC[C@H]1CCCC[N@@H+](C)C1 ZINC000625420710 565628283 /nfs/dbraw/zinc/62/82/83/565628283.db2.gz QBQDBMFUUUCVNT-CYBMUJFWSA-N 1 0 375.332 2.768 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)N1CCC(C)([NH3+])CC1 ZINC000646991643 565631383 /nfs/dbraw/zinc/63/13/83/565631383.db2.gz IYJGKGDHLFBPNO-AWEZNQCLSA-N 1 0 384.567 2.691 20 0 GFADRO CC[C@H]1CN(C(=O)c2cn(-c3ccc(Br)cc3)cn2)CC[C@@H]1[NH3+] ZINC000647013982 565633546 /nfs/dbraw/zinc/63/35/46/565633546.db2.gz RQBAVFLSXUGBRB-WFASDCNBSA-N 1 0 377.286 2.834 20 0 GFADRO [NH3+][C@@]12CCC[C@H]1CN(C(=O)c1cc(Cl)ccc1I)C2 ZINC000598669616 565633721 /nfs/dbraw/zinc/63/37/21/565633721.db2.gz KBUHHAGVUWFIQB-LKFCYVNXSA-N 1 0 390.652 2.898 20 0 GFADRO O=C(CCc1ncc(-c2ccccc2Br)o1)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000647057978 565634215 /nfs/dbraw/zinc/63/42/15/565634215.db2.gz FNEPJBDCCYSEIC-RYUDHWBXSA-N 1 0 396.260 2.853 20 0 GFADRO O=C1Nc2ccc(Br)cc2CC[C@@H]1[N@@H+]1CCC[C@@](O)(C2CC2)C1 ZINC000625537329 565636030 /nfs/dbraw/zinc/63/60/30/565636030.db2.gz QEQCNGQQADOEFX-WMZOPIPTSA-N 1 0 379.298 2.939 20 0 GFADRO C[N@H+](CCNC(=O)c1cc(Br)cc2c1OCCO2)C1CCCC1 ZINC000668314447 565639687 /nfs/dbraw/zinc/63/96/87/565639687.db2.gz OYWWMNLTBHCUOI-UHFFFAOYSA-N 1 0 383.286 2.825 20 0 GFADRO Cc1c(Br)cncc1C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000668317237 565639892 /nfs/dbraw/zinc/63/98/92/565639892.db2.gz GNNHPVMKADFVNJ-UHFFFAOYSA-N 1 0 382.302 2.527 20 0 GFADRO CC(C)(C)NS(=O)(=O)c1cc(-c2nc([C@@H]3CCC[NH2+]3)no2)ccc1Cl ZINC000647154547 565641432 /nfs/dbraw/zinc/64/14/32/565641432.db2.gz CYFBNFGWEPLKGE-LBPRGKRZSA-N 1 0 384.889 2.891 20 0 GFADRO O=C1[C@@H](c2nc([C@@H]3CCC[NH2+]3)no2)CCN1c1ccccc1Br ZINC000647152851 565642084 /nfs/dbraw/zinc/64/20/84/565642084.db2.gz OMVBSBZBXIIDIG-PWSUYJOCSA-N 1 0 377.242 2.777 20 0 GFADRO O=C(NCCc1nc([C@@H]2CCC[NH2+]2)no1)Nc1ccc(Br)cc1 ZINC000647153071 565642111 /nfs/dbraw/zinc/64/21/11/565642111.db2.gz SHFWBHKGUGTKEK-LBPRGKRZSA-N 1 0 380.246 2.621 20 0 GFADRO Cc1cc(Br)c(S(=O)(=O)N(C2CC2)C2CC[NH2+]CC2)s1 ZINC000647190270 565643899 /nfs/dbraw/zinc/64/38/99/565643899.db2.gz QETJRCZDDWIPKY-UHFFFAOYSA-N 1 0 379.345 2.724 20 0 GFADRO CCn1cnnc1CC[NH2+]Cc1cc(OC(F)F)ccc1Br ZINC000647184113 565644680 /nfs/dbraw/zinc/64/46/80/565644680.db2.gz GSLUJANHRWBTGR-UHFFFAOYSA-N 1 0 375.217 2.994 20 0 GFADRO CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@H](C)c2cc(F)c(Cl)cc2Cl)C1 ZINC000668371077 565645035 /nfs/dbraw/zinc/64/50/35/565645035.db2.gz JFXBZWIQQPZGTN-MNOVXSKESA-N 1 0 390.286 2.910 20 0 GFADRO Cc1ccc(S(=O)(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc1Br ZINC000647238401 565648213 /nfs/dbraw/zinc/64/82/13/565648213.db2.gz LYTRRITWASVMHY-BBRMVZONSA-N 1 0 387.343 2.910 20 0 GFADRO O=S(=O)(Cc1ccc(Br)cc1)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000647237552 565648765 /nfs/dbraw/zinc/64/87/65/565648765.db2.gz DSPMRUNKABDALK-GDBMZVCRSA-N 1 0 387.343 2.743 20 0 GFADRO [NH3+][C@H]1CCC[C@@H](NS(=O)(=O)Cc2cc(Cl)ccc2Br)C1 ZINC000647259811 565649550 /nfs/dbraw/zinc/64/95/50/565649550.db2.gz ZBULUGUMKTVZFR-NWDGAFQWSA-N 1 0 381.723 2.792 20 0 GFADRO O=S(=O)(Cc1ccc(Cl)cc1Br)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000647264759 565650338 /nfs/dbraw/zinc/65/03/38/565650338.db2.gz QTAAMLNWVOHMGY-HZMBPMFUSA-N 1 0 393.734 2.616 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H]2CN(S(=O)(=O)c3cc(Cl)ccc3OC(F)F)C[C@H]21 ZINC000647267297 565650933 /nfs/dbraw/zinc/65/09/33/565650933.db2.gz WRVZUDPCTWAJAI-YUSALJHKSA-N 1 0 380.844 2.689 20 0 GFADRO Cc1ncsc1CCS(=O)(=O)N[C@H](C[NH3+])c1ccc2ccccc2c1 ZINC000647269837 565651455 /nfs/dbraw/zinc/65/14/55/565651455.db2.gz AVMUREZTBATXFI-QGZVFWFLSA-N 1 0 375.519 2.767 20 0 GFADRO CC(C)(C)OC(=O)c1ccc(C[NH2+]C[C@@H]2CCC[C@H]2NS(C)(=O)=O)s1 ZINC000598968517 565651539 /nfs/dbraw/zinc/65/15/39/565651539.db2.gz PAQLFJHCEQZENQ-GXTWGEPZSA-N 1 0 388.555 2.511 20 0 GFADRO CC[C@@H]1CN(S(=O)(=O)c2cc(Br)sc2Cl)CC[C@H]1[NH3+] ZINC000647269245 565651580 /nfs/dbraw/zinc/65/15/80/565651580.db2.gz OYPOFOMXAOVPMU-HTQZYQBOSA-N 1 0 387.752 2.912 20 0 GFADRO C[C@@H]1C[NH+](Cc2ccc(Br)cc2N2CCOCC2)C[C@@H](C)C1O ZINC000668554699 565654543 /nfs/dbraw/zinc/65/45/43/565654543.db2.gz RKFGFZNHMXTFRQ-ZIAGYGMSSA-N 1 0 383.330 2.734 20 0 GFADRO COc1cc(C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)ccc1Br ZINC000625719840 565655127 /nfs/dbraw/zinc/65/51/27/565655127.db2.gz HOIGGBGNYSQRPQ-CYBMUJFWSA-N 1 0 397.313 2.688 20 0 GFADRO O=S(=O)(c1cccc(Br)c1)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647306818 565655383 /nfs/dbraw/zinc/65/53/83/565655383.db2.gz JYJCOCHIFVGIRN-ZIAGYGMSSA-N 1 0 387.343 2.849 20 0 GFADRO O=S(=O)(c1ccc(C(F)(F)F)nc1)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647307640 565655443 /nfs/dbraw/zinc/65/54/43/565655443.db2.gz DVZZKCCYEQVFQP-CHWSQXEVSA-N 1 0 377.432 2.501 20 0 GFADRO COCCOC[C@@H](O)C[N@@H+]1CC[C@H](Sc2ccc(Br)cc2)C1 ZINC000625699868 565655708 /nfs/dbraw/zinc/65/57/08/565655708.db2.gz IBCPSDSSJRGIBV-HOCLYGCPSA-N 1 0 390.343 2.639 20 0 GFADRO C[C@@]12COC[C@@H]1C[N@H+](Cc1ccc(Br)cc1N1CCOCC1)C2 ZINC000668596440 565656566 /nfs/dbraw/zinc/65/65/66/565656566.db2.gz HVJDZBRPMDFMLG-MAUKXSAKSA-N 1 0 381.314 2.754 20 0 GFADRO CCc1nc2c(s1)[C@@H]([NH2+]C[C@@H]1CS(=O)(=O)c3ccccc3O1)CCC2 ZINC000647314869 565656751 /nfs/dbraw/zinc/65/67/51/565656751.db2.gz SWVJLLKJFJWXTN-OLZOCXBDSA-N 1 0 378.519 2.907 20 0 GFADRO C[C@H]([NH2+]C[C@H](O)COC1CCOCC1)c1cc(F)c(Br)cc1F ZINC000625750920 565657031 /nfs/dbraw/zinc/65/70/31/565657031.db2.gz DAZXAXGHIDERSF-QWRGUYRKSA-N 1 0 394.256 2.934 20 0 GFADRO OC[C@@H]1CCC2(CCOCC2)C[N@@H+]1Cc1cn2cc(Br)ccc2n1 ZINC000625758620 565657941 /nfs/dbraw/zinc/65/79/41/565657941.db2.gz SQMNBRCFCVAWLB-INIZCTEOSA-N 1 0 394.313 2.850 20 0 GFADRO OC[C@]1([NH2+]CCOCC(F)(F)F)CCc2cc(Br)ccc2C1 ZINC000625795436 565660610 /nfs/dbraw/zinc/66/06/10/565660610.db2.gz VWAMQDFURJNIES-AWEZNQCLSA-N 1 0 382.220 2.837 20 0 GFADRO COc1cc(C[NH2+][C@]2(CO)CCc3cc(Br)ccc3C2)ccn1 ZINC000625796026 565660902 /nfs/dbraw/zinc/66/09/02/565660902.db2.gz CVYFLDLDTCIVOT-GOSISDBHSA-N 1 0 377.282 2.862 20 0 GFADRO C[NH+](C)CCC1CCN(C(=O)c2cc(Br)cc3[nH]c(=O)[nH]c32)CC1 ZINC000668694211 565662007 /nfs/dbraw/zinc/66/20/07/565662007.db2.gz SYWYTBWALSCIRQ-UHFFFAOYSA-N 1 0 395.301 2.835 20 0 GFADRO C[NH2+]CCOCCNC(=O)Nc1ccc(Br)cc1C(F)(F)F ZINC000625850312 565662207 /nfs/dbraw/zinc/66/22/07/565662207.db2.gz FNMMGMRSPFIDKH-UHFFFAOYSA-N 1 0 384.196 2.825 20 0 GFADRO OCc1ccc(C[NH2+]C[C@@H](O)COc2cc(F)cc(Br)c2)cc1 ZINC000647523112 565662544 /nfs/dbraw/zinc/66/25/44/565662544.db2.gz SEMOMPJCWPQCTL-MRXNPFEDSA-N 1 0 384.245 2.610 20 0 GFADRO CCN(C(=O)C(=O)N[C@@H](C)Cc1ccc(Cl)cc1Cl)[C@H]1CC[N@H+](C)C1 ZINC000668721430 565663775 /nfs/dbraw/zinc/66/37/75/565663775.db2.gz LJIJRYWKTLHSBW-WFASDCNBSA-N 1 0 386.323 2.593 20 0 GFADRO C[NH2+]CCOCCN(C)C(=O)Nc1cccc2cc(Br)cnc21 ZINC000625887710 565664396 /nfs/dbraw/zinc/66/43/96/565664396.db2.gz VMFZVQDXZFRALO-UHFFFAOYSA-N 1 0 381.274 2.697 20 0 GFADRO [NH3+]CCCOCCNC(=O)Nc1cc(C(F)(F)F)ccc1Br ZINC000625885204 565664746 /nfs/dbraw/zinc/66/47/46/565664746.db2.gz SPDQCLSDBLMZFE-UHFFFAOYSA-N 1 0 384.196 2.955 20 0 GFADRO CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NC[C@@H](C)c2c(Cl)cccc2Cl)C1 ZINC000668781415 565666455 /nfs/dbraw/zinc/66/64/55/565666455.db2.gz STNHCYSBMXNJMV-CHWSQXEVSA-N 1 0 386.323 2.814 20 0 GFADRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)CCNC(=O)c1ccc(Br)cc1 ZINC000599331591 565671005 /nfs/dbraw/zinc/67/10/05/565671005.db2.gz ZXWIKASXLABAIF-MRXNPFEDSA-N 1 0 396.329 2.560 20 0 GFADRO Cn1cc([C@@H]2CN(c3cc(C(F)(F)F)c(Br)cn3)C[C@H]2[NH3+])cn1 ZINC000647710356 565671954 /nfs/dbraw/zinc/67/19/54/565671954.db2.gz FBFAVBGEOBSEJQ-JOYOIKCWSA-N 1 0 390.207 2.528 20 0 GFADRO C[C@@H]1CN(C(=O)C[NH2+][C@H](CCO)c2cc(Cl)cc(Cl)c2)C[C@H](C)O1 ZINC000626100667 565675587 /nfs/dbraw/zinc/67/55/87/565675587.db2.gz VKLFXLNHAXEHQR-BFQNTYOBSA-N 1 0 375.296 2.642 20 0 GFADRO C[N@@H+]1CCC[C@H]1[C@@H]1COCCN1C(=O)CCOc1ccccc1Br ZINC000647822950 565678545 /nfs/dbraw/zinc/67/85/45/565678545.db2.gz ASGYCUNMBXKOHR-HOTGVXAUSA-N 1 0 397.313 2.540 20 0 GFADRO C[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CC(C[NH+]2CCN(C)CC2)C1 ZINC000647825411 565679372 /nfs/dbraw/zinc/67/93/72/565679372.db2.gz VVOGUHOZKURTIN-CQSZACIVSA-N 1 0 384.351 2.878 20 0 GFADRO CC(=O)NC[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1cccc(Br)c1 ZINC000626157910 565679741 /nfs/dbraw/zinc/67/97/41/565679741.db2.gz DXNYEEVBPVSSII-INIZCTEOSA-N 1 0 382.302 2.768 20 0 GFADRO CN1C2(CCC2)COC[C@@]1(CO)CNC(=O)Nc1cc(Cl)ccc1Cl ZINC000626187324 565682963 /nfs/dbraw/zinc/68/29/63/565682963.db2.gz FOQKTHGGEVUAOZ-KRWDZBQOSA-N 1 0 388.295 2.731 20 0 GFADRO Cc1nn(C)c(NC(=O)NC[C@H](c2cccs2)[NH+](C)C)c1Br ZINC000647985044 565687183 /nfs/dbraw/zinc/68/71/83/565687183.db2.gz ZQDGOVHLWPJNON-SNVBAGLBSA-N 1 0 386.319 2.977 20 0 GFADRO O=C1NCCN(CCCC2CC[NH2+]CC2)[C@H]1c1cccc(Br)c1 ZINC000647990005 565687470 /nfs/dbraw/zinc/68/74/70/565687470.db2.gz PVYXRIVTSSSZAZ-KRWDZBQOSA-N 1 0 380.330 2.702 20 0 GFADRO [NH3+][C@@H](C(=O)N1CCCN(C(=O)c2ccsc2)CC1)c1cccc(Cl)c1 ZINC000648004543 565687572 /nfs/dbraw/zinc/68/75/72/565687572.db2.gz OTQPQJJWKGQAQO-MRXNPFEDSA-N 1 0 377.897 2.776 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CN(C(=O)NCCCOc2ccc(Cl)cc2Cl)CCO1 ZINC000669422866 565687736 /nfs/dbraw/zinc/68/77/36/565687736.db2.gz VLHYLVJTVBXBAT-NHYWBVRUSA-N 1 0 376.284 2.520 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)N1CCC(C)([NH3+])CC1 ZINC000669445202 565689240 /nfs/dbraw/zinc/68/92/40/565689240.db2.gz FBFJDXNFDFVIOE-UHFFFAOYSA-N 1 0 397.317 2.609 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)N[C@H]1CCC[NH2+]CC1 ZINC000669431769 565689442 /nfs/dbraw/zinc/68/94/42/565689442.db2.gz WVTKWVWLQAZZRP-AWEZNQCLSA-N 1 0 397.317 2.527 20 0 GFADRO O=C(NCC1(c2ccccc2Br)CC1)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000669495219 565690348 /nfs/dbraw/zinc/69/03/48/565690348.db2.gz YCRDUZMFSYDRTK-BBRMVZONSA-N 1 0 378.314 2.874 20 0 GFADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3[C@@H]4Cc5c(cccc5Br)[C@@H]43)[C@H]2C1 ZINC000626391981 565690535 /nfs/dbraw/zinc/69/05/35/565690535.db2.gz TYDTYRYCFDJHAX-IERSGTSRSA-N 1 0 375.310 2.887 20 0 GFADRO C[C@H](CNC(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1)Oc1ccc(Br)cc1 ZINC000669506307 565691142 /nfs/dbraw/zinc/69/11/42/565691142.db2.gz MQGVGADISKONJT-XJKCOSOUSA-N 1 0 382.302 2.610 20 0 GFADRO O=C(NCCc1c[nH]c2ccc(Br)cc12)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000669557376 565692230 /nfs/dbraw/zinc/69/22/30/565692230.db2.gz RCCMDHHQEZZKRQ-CJNGLKHVSA-N 1 0 391.313 2.866 20 0 GFADRO Cc1ccc(F)c(C(=O)N2C[C@H](C[NH3+])C3(C2)CCOCC3)c1Br ZINC000648147813 565692261 /nfs/dbraw/zinc/69/22/61/565692261.db2.gz PDQWKKNXUZPOEN-LBPRGKRZSA-N 1 0 385.277 2.724 20 0 GFADRO O=C(N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)N[C@@H]1CCC[NH2+]CC1 ZINC000669553881 565692453 /nfs/dbraw/zinc/69/24/53/565692453.db2.gz KRJJBXQOWPDDHV-ABAIWWIYSA-N 1 0 385.295 2.540 20 0 GFADRO C[C@@H](NC(=O)N[C@@H]1CCC[NH2+]C1)c1nc(-c2ccc(Br)cc2)no1 ZINC000669532702 565692595 /nfs/dbraw/zinc/69/25/95/565692595.db2.gz PJQZXGLQIOXHGQ-ZWNOBZJWSA-N 1 0 394.273 2.611 20 0 GFADRO COc1cc(Br)ccc1CCCNC(=O)N1CCC(C)([NH3+])CC1 ZINC000669557472 565692792 /nfs/dbraw/zinc/69/27/92/565692792.db2.gz MGFTVGBWDNRSNB-UHFFFAOYSA-N 1 0 384.318 2.913 20 0 GFADRO C[C@H](Cc1cc(Br)ccc1F)NC(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000669544209 565692802 /nfs/dbraw/zinc/69/28/02/565692802.db2.gz IRCCSFHNCPYJDX-BFQNTYOBSA-N 1 0 384.293 2.913 20 0 GFADRO [NH3+]C/C=C\CNC(=O)NCc1cc(Br)ccc1Br ZINC000669564783 565693148 /nfs/dbraw/zinc/69/31/48/565693148.db2.gz MHJJKWBKVAECOH-UPHRSURJSA-N 1 0 377.080 2.526 20 0 GFADRO CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)C(=O)c2ccc(Br)cc2)CC1 ZINC000648178432 565693236 /nfs/dbraw/zinc/69/32/36/565693236.db2.gz CWRMKCNJLHYLIH-MRXNPFEDSA-N 1 0 379.298 2.868 20 0 GFADRO O=C(N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000669574164 565693658 /nfs/dbraw/zinc/69/36/58/565693658.db2.gz ZPDARLSKACLOAT-PDUOOLKUSA-N 1 0 382.277 2.838 20 0 GFADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)Nc1cc(Cl)c(F)c(Cl)c1 ZINC000626537358 565697774 /nfs/dbraw/zinc/69/77/74/565697774.db2.gz KMVDYRYHGKJWEE-LBPRGKRZSA-N 1 0 377.247 2.594 20 0 GFADRO CN1C(=O)N[C@]2(CCC[C@@H]2C[NH2+][C@H]2CCc3ccc(Br)cc32)C1=O ZINC000669848659 565704734 /nfs/dbraw/zinc/70/47/34/565704734.db2.gz JXEKXMOEAYNFKJ-MRAWALMUSA-N 1 0 392.297 2.747 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)Nc2cccc(Cl)c2Cl)CC[C@H]1C(F)(F)F ZINC000626860345 565713384 /nfs/dbraw/zinc/71/33/84/565713384.db2.gz DOEYUACQDFDMRT-RKDXNWHRSA-N 1 0 398.212 2.918 20 0 GFADRO Cc1c(Cl)cccc1NC(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000626861316 565714121 /nfs/dbraw/zinc/71/41/21/565714121.db2.gz MJNPTHAURMPMOZ-QWRGUYRKSA-N 1 0 377.794 2.573 20 0 GFADRO [NH3+]CCCOCCNC(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 ZINC000626938803 565716110 /nfs/dbraw/zinc/71/61/10/565716110.db2.gz WNEIWLFULSXPJQ-NXEZZACHSA-N 1 0 379.345 2.561 20 0 GFADRO C[NH2+]CCOCCNC(=O)NCC1(c2ccc(Br)cc2)CCCC1 ZINC000626983406 565717697 /nfs/dbraw/zinc/71/76/97/565717697.db2.gz LMUKWFMZVOHQKP-UHFFFAOYSA-N 1 0 398.345 2.796 20 0 GFADRO O=S(=O)(NCC[NH2+][C@H]1CCOC2(CCC2)C1)c1cccc(Cl)c1Cl ZINC000648581126 565718380 /nfs/dbraw/zinc/71/83/80/565718380.db2.gz XSAAFILVQFLPON-LBPRGKRZSA-N 1 0 393.336 2.963 20 0 GFADRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000627009606 565718810 /nfs/dbraw/zinc/71/88/10/565718810.db2.gz IEXKTZMDURQVIY-ZNMIVQPWSA-N 1 0 385.295 2.538 20 0 GFADRO [NH3+]CCCOCCNC(=O)N[C@H]1CCCN(c2ccc(Cl)cc2Cl)C1 ZINC000627019077 565719757 /nfs/dbraw/zinc/71/97/57/565719757.db2.gz PDMVKOIFTRDKHR-AWEZNQCLSA-N 1 0 389.327 2.627 20 0 GFADRO CCSc1cc(CNC(=O)N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)ccn1 ZINC000627016606 565719783 /nfs/dbraw/zinc/71/97/83/565719783.db2.gz QLCLKZCHZBWXLV-OLZOCXBDSA-N 1 0 376.448 2.862 20 0 GFADRO COc1ccc(Br)c(C(=O)N2CCC[C@H]([NH+]3CCOCC3)CC2)c1 ZINC000670390653 565721550 /nfs/dbraw/zinc/72/15/50/565721550.db2.gz MBHRGJFWULULOL-AWEZNQCLSA-N 1 0 397.313 2.785 20 0 GFADRO O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)N[C@@H]1CCCSc2ccc(Br)cc21 ZINC000627094467 565721788 /nfs/dbraw/zinc/72/17/88/565721788.db2.gz AZMJNCQAJTVMTJ-COMQUAJESA-N 1 0 382.327 2.893 20 0 GFADRO Cc1cc(Br)ccc1[C@@H]1CCCN1C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000627102072 565721805 /nfs/dbraw/zinc/72/18/05/565721805.db2.gz GPIKZSGVIPVBEJ-HOCLYGCPSA-N 1 0 382.302 2.592 20 0 GFADRO [NH3+]C1(CNC(=O)N2CC3(CC3)c3ccc(Br)cc32)CCOCC1 ZINC000627147690 565723296 /nfs/dbraw/zinc/72/32/96/565723296.db2.gz QJUUHQPQCIUYPD-UHFFFAOYSA-N 1 0 380.286 2.518 20 0 GFADRO CC1(C)CN(C(=O)NCC2([NH3+])CCOCC2)c2cc(Br)ccc21 ZINC000627148037 565723914 /nfs/dbraw/zinc/72/39/14/565723914.db2.gz WVJYEOFKPRZDKC-UHFFFAOYSA-N 1 0 382.302 2.764 20 0 GFADRO Cc1cc(CC(C)(C)NC(=O)NCC2([NH3+])CCOCC2)ccc1Br ZINC000627148915 565724005 /nfs/dbraw/zinc/72/40/05/565724005.db2.gz OVUAIJIYEIAXIF-UHFFFAOYSA-N 1 0 398.345 2.886 20 0 GFADRO O=C(NCC1([NH+]2CCSCC2)CCCC1)c1cc2cc[nH]c(=O)c2s1 ZINC000648733321 565725173 /nfs/dbraw/zinc/72/51/73/565725173.db2.gz NEPWYLHKAPKWNQ-UHFFFAOYSA-N 1 0 377.535 2.681 20 0 GFADRO C[NH+](C)C1(CNC(=O)C(=O)NCCc2ccc(Cl)cc2Cl)CCCC1 ZINC000670535551 565728036 /nfs/dbraw/zinc/72/80/36/565728036.db2.gz OFUUUWQAIVDYPZ-UHFFFAOYSA-N 1 0 386.323 2.643 20 0 GFADRO O=C(CCCOc1cccc(Cl)c1Cl)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000627257274 565728540 /nfs/dbraw/zinc/72/85/40/565728540.db2.gz DZUNVJJIEHNHMP-UONOGXRCSA-N 1 0 387.307 2.820 20 0 GFADRO CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N[C@H](C)c1ccc(Br)cc1 ZINC000670571923 565729339 /nfs/dbraw/zinc/72/93/39/565729339.db2.gz LZRZXHKIBLQQJI-CZUORRHYSA-N 1 0 396.329 2.617 20 0 GFADRO CCC(=O)N1CCC([NH2+]C[C@@H](CO)Cc2ccc(C)c(Br)c2)CC1 ZINC000648787010 565729940 /nfs/dbraw/zinc/72/99/40/565729940.db2.gz ADROTEDAEYXTHT-INIZCTEOSA-N 1 0 397.357 2.899 20 0 GFADRO CC(C)Oc1cc(C(=O)N2CC[C@@H]([N@@H+]3CC[C@@H](O)C3)C2)ccc1Br ZINC000627270307 565730320 /nfs/dbraw/zinc/73/03/20/565730320.db2.gz FVWBTCYPUUKQFE-HUUCEWRRSA-N 1 0 397.313 2.517 20 0 GFADRO O=C(c1ccc(Br)c(Cl)c1F)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000627264161 565730417 /nfs/dbraw/zinc/73/04/17/565730417.db2.gz PAVFTTRKVBOJQU-VHSXEESVSA-N 1 0 391.668 2.523 20 0 GFADRO C[C@H](CC[NH+](C)C)NC(=O)C(=O)Nc1cc(Cl)c(Br)cc1F ZINC000627281783 565731468 /nfs/dbraw/zinc/73/14/68/565731468.db2.gz LXUOYXCTNFKNFL-MRVPVSSYSA-N 1 0 394.672 2.637 20 0 GFADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)c1[nH]c2ccc(Br)cc2c1Cl ZINC000600477668 565731783 /nfs/dbraw/zinc/73/17/83/565731783.db2.gz ZFONKKUZNBSIHM-NSHDSACASA-N 1 0 399.720 2.559 20 0 GFADRO COc1cc(C(=O)N2CCC([N@@H+]3CCOC[C@H]3C)CC2)ccc1Br ZINC000627428180 565736555 /nfs/dbraw/zinc/73/65/55/565736555.db2.gz YFAZHLWTDWFITJ-CYBMUJFWSA-N 1 0 397.313 2.783 20 0 GFADRO C[C@@H]1[C@H](C(=O)Nc2cc(Br)cc(C(=O)N3CCCC3)c2)CC[N@@H+]1C ZINC000648885711 565737294 /nfs/dbraw/zinc/73/72/94/565737294.db2.gz NYQNKLDXJBNQJH-MLGOLLRUSA-N 1 0 394.313 2.964 20 0 GFADRO O=C(NCCN1C[C@H]2CC[C@@H](C1)O2)c1cc2c(cncc2Br)s1 ZINC000648921754 565739404 /nfs/dbraw/zinc/73/94/04/565739404.db2.gz JJGQEMZNGWCLLE-PHIMTYICSA-N 1 0 396.310 2.652 20 0 GFADRO CCN(C(=O)CCNC(=O)c1ccc(Br)cc1)C1CC[NH+](C)CC1 ZINC000627621139 565743934 /nfs/dbraw/zinc/74/39/34/565743934.db2.gz FRERLTXDPKYFPE-UHFFFAOYSA-N 1 0 396.329 2.512 20 0 GFADRO CCCN(C(=O)c1cnc2ncc(Br)cc2c1)[C@H]1CC[N@H+](C)C1 ZINC000648996936 565743933 /nfs/dbraw/zinc/74/39/33/565743933.db2.gz FFDVXLHIGOSTPE-HNNXBMFYSA-N 1 0 377.286 2.949 20 0 GFADRO CCN(C(=O)COc1ccc(Br)cc1C(C)=O)C1CC[NH+](C)CC1 ZINC000627616323 565744119 /nfs/dbraw/zinc/74/41/19/565744119.db2.gz KWCQROXMXBNXQT-UHFFFAOYSA-N 1 0 397.313 2.973 20 0 GFADRO CCN(C(=O)c1c2ccc(Br)cc2nn1C)C1CC[NH+](C)CC1 ZINC000627614974 565744195 /nfs/dbraw/zinc/74/41/95/565744195.db2.gz FFXMMQFMZOUKJN-UHFFFAOYSA-N 1 0 379.302 2.892 20 0 GFADRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)c1csc(-c2ccc(Cl)s2)n1 ZINC000649077385 565746215 /nfs/dbraw/zinc/74/62/15/565746215.db2.gz RHAFZWOWZXBTLY-SNVBAGLBSA-N 1 0 398.941 2.717 20 0 GFADRO C[C@H](NC(=O)CN(C)[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(Br)cc1 ZINC000600726083 565747242 /nfs/dbraw/zinc/74/72/42/565747242.db2.gz FBAVSEZULNOTCE-GUYCJALGSA-N 1 0 380.330 2.795 20 0 GFADRO CC[NH+]1CCN(CC(C)(C)NC(=O)c2ccc(Br)c(OC)c2)CC1 ZINC000627689114 565747421 /nfs/dbraw/zinc/74/74/21/565747421.db2.gz MIWPEBMYPCCACU-UHFFFAOYSA-N 1 0 398.345 2.604 20 0 GFADRO C[C@@H](CNS(=O)(=O)Cc1ccc(OC(F)(F)F)cc1)C[NH+]1CCCC1 ZINC000600749145 565747985 /nfs/dbraw/zinc/74/79/85/565747985.db2.gz YUNXGZBPWXOOEQ-ZDUSSCGKSA-N 1 0 380.432 2.737 20 0 GFADRO CC[NH+](CC)[C@@H](CNC(=O)C(=O)N1CCSCC[C@@H]1C)c1ccsc1 ZINC000670969521 565748912 /nfs/dbraw/zinc/74/89/12/565748912.db2.gz DQQKNMVESNTKFD-HOCLYGCPSA-N 1 0 383.583 2.601 20 0 GFADRO CC(C)n1ncc2c1C[C@H]([NH2+][C@@H](C)Cn1cc(Br)ccc1=O)CC2 ZINC000671121511 565752604 /nfs/dbraw/zinc/75/26/04/565752604.db2.gz ZSBAAXPNADVYSU-XJKSGUPXSA-N 1 0 393.329 2.924 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)C(=O)NC[C@@H]1CCCC[N@@H+](C)C1 ZINC000627828491 565755101 /nfs/dbraw/zinc/75/51/01/565755101.db2.gz CJPJJNHMBMJNQP-ZDUSSCGKSA-N 1 0 382.302 2.544 20 0 GFADRO C[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H]3[C@@H]4c5cccc(Br)c5C[C@H]34)[C@@H]2C1 ZINC000627836911 565755916 /nfs/dbraw/zinc/75/59/16/565755916.db2.gz NCDMAFHLRNGFQP-MOSHLBJQSA-N 1 0 375.310 2.887 20 0 GFADRO CC(C)([NH3+])CCC(=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000649277308 565756957 /nfs/dbraw/zinc/75/69/57/565756957.db2.gz UFGWFJFQRBSTFK-UHFFFAOYSA-N 1 0 378.826 2.920 20 0 GFADRO CC[C@H]1CN(Cc2csc(-c3ccc(S(C)(=O)=O)cc3)n2)CC[C@H]1[NH3+] ZINC000649416737 565760200 /nfs/dbraw/zinc/76/02/00/565760200.db2.gz KCWOYPARGDOPFW-SUMWQHHRSA-N 1 0 379.551 2.773 20 0 GFADRO C[C@H](CSc1ccccc1)[N@H+](C)CCOc1ccc(S(N)(=O)=O)cc1 ZINC000649664889 565771249 /nfs/dbraw/zinc/77/12/49/565771249.db2.gz VCDLHTITRONQCC-OAHLLOKOSA-N 1 0 380.535 2.825 20 0 GFADRO O=C(CCc1ccc(Br)cc1F)N1CCC([NH+]2CCOCC2)CC1 ZINC000628126331 565774528 /nfs/dbraw/zinc/77/45/28/565774528.db2.gz LRXDVGXHRQUBLP-UHFFFAOYSA-N 1 0 399.304 2.844 20 0 GFADRO CC[C@@H]1CN(S(C)(=O)=O)CC[C@@H]1[NH2+]CCc1cccc(C(F)(F)F)c1 ZINC000628220283 565779930 /nfs/dbraw/zinc/77/99/30/565779930.db2.gz RHGMNZWNSDPFTJ-ZBFHGGJFSA-N 1 0 378.460 2.898 20 0 GFADRO COCCN(CC[NH+](C)C)Cc1c[nH]nc1-c1ccc(Br)s1 ZINC000628278903 565782078 /nfs/dbraw/zinc/78/20/78/565782078.db2.gz LXRJGEFGUGSCGP-UHFFFAOYSA-N 1 0 387.347 2.911 20 0 GFADRO C[C@@H]1CN(C(=O)c2ccc(C(F)(F)F)s2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000671786627 565785819 /nfs/dbraw/zinc/78/58/19/565785819.db2.gz DPJAJOGGUJABTE-OLZOCXBDSA-N 1 0 375.460 2.865 20 0 GFADRO CCCOc1c(Br)cc(C[N@H+](C)[C@@]2(CO)CCOC2)cc1OC ZINC000628366261 565786148 /nfs/dbraw/zinc/78/61/48/565786148.db2.gz GZPAKJAKPUBAGN-QGZVFWFLSA-N 1 0 388.302 2.830 20 0 GFADRO CCOc1cc(C[N@H+](C)[C@H]2CCC(=O)N(C)C2)cc(Br)c1OC ZINC000628368096 565786614 /nfs/dbraw/zinc/78/66/14/565786614.db2.gz MQUCFUMTLWZQIB-ZDUSSCGKSA-N 1 0 385.302 2.909 20 0 GFADRO CNS(=O)(=O)C[C@@H]1CCC[N@H+](Cc2cnc(-c3ccc(C)cc3)s2)C1 ZINC000628495898 565791249 /nfs/dbraw/zinc/79/12/49/565791249.db2.gz CIHUWTGLWZGHDK-OAHLLOKOSA-N 1 0 379.551 2.880 20 0 GFADRO C[C@@H]1CN(C(=O)Nc2cc(F)c(F)cc2I)C[C@H]1C[NH3+] ZINC000601563275 565792429 /nfs/dbraw/zinc/79/24/29/565792429.db2.gz WSAWMMOZLBMVGA-HTQZYQBOSA-N 1 0 395.191 2.628 20 0 GFADRO Cc1cc(Br)cc(C)c1N1CCC[C@@H](NC(=O)[C@H](C)[NH+](C)C)C1=O ZINC000672303058 565801727 /nfs/dbraw/zinc/80/17/27/565801727.db2.gz QCXLYUXQILTGSU-DZGCQCFKSA-N 1 0 396.329 2.628 20 0 GFADRO O[C@H]([C@H]1CC[N@@H+](C[C@H](O)COc2ccc(Cl)c(Cl)c2)C1)C(F)(F)F ZINC000650202967 565806687 /nfs/dbraw/zinc/80/66/87/565806687.db2.gz NUXKESNBJUPOSC-PKFCDNJMSA-N 1 0 388.213 2.978 20 0 GFADRO O=C(CNC(=O)C1CC[NH+]([C@H]2CCSC2)CC1)c1cccc(F)c1Cl ZINC000628898449 565813835 /nfs/dbraw/zinc/81/38/35/565813835.db2.gz YKTDHWJBWCRRFM-ZDUSSCGKSA-N 1 0 384.904 2.996 20 0 GFADRO O=C1CC[C@H]([NH2+]Cc2ccc(Cl)cc2I)CCN1 ZINC000602015995 565816247 /nfs/dbraw/zinc/81/62/47/565816247.db2.gz CCVJFVGLVNJMJO-NSHDSACASA-N 1 0 378.641 2.703 20 0 GFADRO CSc1ccccc1S(=O)(=O)N1C[C@@H](C[NH+](C)C)Oc2ccccc21 ZINC000672789591 565817353 /nfs/dbraw/zinc/81/73/53/565817353.db2.gz MERPQZJAOKWBFF-CQSZACIVSA-N 1 0 378.519 2.926 20 0 GFADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3cnc4ncc(Br)cc4c3)CC[C@@H]21 ZINC000672885207 565820677 /nfs/dbraw/zinc/82/06/77/565820677.db2.gz ICUFKSLETNXIJH-WBMJQRKESA-N 1 0 389.297 2.949 20 0 GFADRO Cc1cc(C(=O)NC[C@H]2CC[N@@H+](C)C2)c(I)cc1Cl ZINC000602081507 565821849 /nfs/dbraw/zinc/82/18/49/565821849.db2.gz WGKNOVLJGHPCQN-SNVBAGLBSA-N 1 0 392.668 2.935 20 0 GFADRO O=C(N[C@@H]1CCN(c2ccccn2)C1)c1cnc2ncc(Br)cc2c1 ZINC000672906351 565821957 /nfs/dbraw/zinc/82/19/57/565821957.db2.gz FJXRDXMESZWVOH-OAHLLOKOSA-N 1 0 398.264 2.796 20 0 GFADRO COC(=O)[C@@H](c1cccc(Br)c1)N(C)C(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC000602135082 565824463 /nfs/dbraw/zinc/82/44/63/565824463.db2.gz YKKLIJYRFRCGTF-UMVBOHGHSA-N 1 0 392.253 2.648 20 0 GFADRO COC(=O)C[C@@](C)(NC(=O)C[C@@H]1CC[N@H+](C)C1)c1ccc(Br)cc1 ZINC000602146728 565825682 /nfs/dbraw/zinc/82/56/82/565825682.db2.gz CJJJCICSJPVQAJ-SCLBCKFNSA-N 1 0 397.313 2.685 20 0 GFADRO O=C(N[C@H]1C[C@@H]([NH+]2CCCC2)C1)c1cc(F)ccc1I ZINC000602168179 565828129 /nfs/dbraw/zinc/82/81/29/565828129.db2.gz VSPDRJDBBPBOPG-TXEJJXNPSA-N 1 0 388.224 2.787 20 0 GFADRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)Cn2cc(Cl)cn2)CC1 ZINC000673442322 565834885 /nfs/dbraw/zinc/83/48/85/565834885.db2.gz JTUVZMIPUYFSAF-UHFFFAOYSA-N 1 0 382.295 2.971 20 0 GFADRO Cc1cc(C(=O)NC2CC[NH2+]CC2)c(I)cc1Cl ZINC000602421984 565847388 /nfs/dbraw/zinc/84/73/88/565847388.db2.gz RHDUHLPOARUNQY-UHFFFAOYSA-N 1 0 378.641 2.735 20 0 GFADRO COC(=O)C[C@@H](NC(=O)c1oc(C[NH3+])cc1C)c1ccc(Br)cc1 ZINC000602443765 565848743 /nfs/dbraw/zinc/84/87/43/565848743.db2.gz LEYMRHDRMBBTRO-CQSZACIVSA-N 1 0 395.253 2.843 20 0 GFADRO C[N@H+](CCCO)C1CCN(Cc2ccc(I)s2)CC1 ZINC000602469625 565850026 /nfs/dbraw/zinc/85/00/26/565850026.db2.gz VUMNCBVAYBKSBC-UHFFFAOYSA-N 1 0 394.322 2.631 20 0 GFADRO C[S@](=O)C1(C(=O)Nc2nc(/C=C\c3ccccc3)cs2)CC[NH2+]CC1 ZINC000602467350 565850365 /nfs/dbraw/zinc/85/03/65/565850365.db2.gz XGNPCKBNHMZLOA-UTBBOMKLSA-N 1 0 375.519 2.753 20 0 GFADRO [NH3+]C[C@H]1CCCn2ncc(C(=O)NCc3cc(F)c(Br)cc3F)c21 ZINC000602545273 565853840 /nfs/dbraw/zinc/85/38/40/565853840.db2.gz LNULVVNNWPEYAP-SECBINFHSA-N 1 0 399.239 2.690 20 0 GFADRO COC(=O)c1cc(C[NH2+][C@H]2CCN(c3ccccc3Br)C2)on1 ZINC000602547218 565854182 /nfs/dbraw/zinc/85/41/82/565854182.db2.gz LZXJAPCKQCXWIZ-NSHDSACASA-N 1 0 380.242 2.592 20 0 GFADRO Brc1cc2ncnc(NC3CC[NH+](C[C@@H]4CCOC4)CC3)c2s1 ZINC000651319474 565856163 /nfs/dbraw/zinc/85/61/63/565856163.db2.gz DJKZLHBAQWIPGG-NSHDSACASA-N 1 0 397.342 3.367 20 0 GFADRO Cc1sc2nc(CS[C@H](C)C(=O)N3C[C@H]([NH3+])C[C@@H]3C)[nH]c(=O)c2c1C ZINC000602595414 565856335 /nfs/dbraw/zinc/85/63/35/565856335.db2.gz IHYSLVPEBGKTGA-XXILOJSOSA-N 1 0 380.539 2.584 20 0 GFADRO [NH3+]CC1(NC(=O)c2ccc(F)cc2I)CCCCC1 ZINC000602599578 565856481 /nfs/dbraw/zinc/85/64/81/565856481.db2.gz CDQBWWVCOWOPPO-UHFFFAOYSA-N 1 0 376.213 2.822 20 0 GFADRO Ic1ccc(C[NH2+][C@H]2CCO[C@@]3(CCOC3)C2)s1 ZINC000602582165 565856766 /nfs/dbraw/zinc/85/67/66/565856766.db2.gz LXPQCOHDRWVISG-GWCFXTLKSA-N 1 0 379.263 2.780 20 0 GFADRO CCOC(=O)c1cc(C[NH2+]C[C@@H](CO)Cc2cccc(Br)c2)on1 ZINC000602638264 565860049 /nfs/dbraw/zinc/86/00/49/565860049.db2.gz OUNVSDCLBBGEMI-ZDUSSCGKSA-N 1 0 397.269 2.555 20 0 GFADRO COc1ncc(Br)cc1C[NH2+]C[C@H](O)COc1ccc(C)cc1 ZINC000629592751 565861584 /nfs/dbraw/zinc/86/15/84/565861584.db2.gz DOWTXUMNPBKQGU-HNNXBMFYSA-N 1 0 381.270 2.691 20 0 GFADRO COC(=O)c1cc(C[NH2+]CCCS(=O)(=O)c2ccc(Cl)cc2)[nH]c1C ZINC000602674700 565862500 /nfs/dbraw/zinc/86/25/00/565862500.db2.gz ZAFNWVDDXQCBFT-UHFFFAOYSA-N 1 0 384.885 2.717 20 0 GFADRO CC[C@@H](CSC)[N@H+](C)Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000602667324 565862802 /nfs/dbraw/zinc/86/28/02/565862802.db2.gz PWPZTYNONCMQDQ-NSHDSACASA-N 1 0 381.361 2.670 20 0 GFADRO CC(C)(C[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Cl)C(=O)N1CCCC1 ZINC000629604057 565863596 /nfs/dbraw/zinc/86/35/96/565863596.db2.gz WYSYIQUINSMEHO-CQSZACIVSA-N 1 0 389.323 2.971 20 0 GFADRO CC(C)(C[NH2+]C[C@@H](O)COc1ccc(Cl)c(Cl)c1)C(=O)N1CCCC1 ZINC000629604345 565864114 /nfs/dbraw/zinc/86/41/14/565864114.db2.gz ZLJBKNIPVHOYEE-CYBMUJFWSA-N 1 0 389.323 2.971 20 0 GFADRO O[C@@H]1CC[N@@H+](C2CN(c3ccc4c(Br)ccc(Cl)c4n3)C2)C1 ZINC000651451806 565864884 /nfs/dbraw/zinc/86/48/84/565864884.db2.gz VMXGVAHASDPQOW-LLVKDONJSA-N 1 0 382.689 2.906 20 0 GFADRO CCS[C@H](C)c1noc(CN(C)CCC(=O)NCc2cnc(C)s2)n1 ZINC000602788576 565867985 /nfs/dbraw/zinc/86/79/85/565867985.db2.gz UCLRUSQXSGGYGR-LLVKDONJSA-N 1 0 383.543 2.787 20 0 GFADRO COC1CC[NH+](CCNC(=O)N[C@H](C)Cc2ccc(Br)cc2)CC1 ZINC000674328836 565868534 /nfs/dbraw/zinc/86/85/34/565868534.db2.gz RCDZJKHGVMSLGK-CQSZACIVSA-N 1 0 398.345 2.790 20 0 GFADRO CC[C@@H](C[NH+]1CCCC1)NS(=O)(=O)c1cc(Br)ccc1F ZINC000674345825 565869864 /nfs/dbraw/zinc/86/98/64/565869864.db2.gz BXYHHUHADIAFSH-LBPRGKRZSA-N 1 0 379.295 2.741 20 0 GFADRO CC[C@H](C[NH+]1CCCC1)NS(=O)(=O)c1cc(Br)ccc1C ZINC000674345611 565870591 /nfs/dbraw/zinc/87/05/91/565870591.db2.gz XKNBBBBBWKSUJT-CQSZACIVSA-N 1 0 375.332 2.910 20 0 GFADRO CC[C@H](C[NH+]1CCCC1)NS(=O)(=O)c1ccc(Br)c(F)c1 ZINC000674347193 565870699 /nfs/dbraw/zinc/87/06/99/565870699.db2.gz XRJNGWXYLLTCAB-LLVKDONJSA-N 1 0 379.295 2.741 20 0 GFADRO Cc1oc(-c2ccc(Cl)c(Cl)c2)nc1C(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000629916020 565875311 /nfs/dbraw/zinc/87/53/11/565875311.db2.gz QRXJBZWRDFAAQF-LBPRGKRZSA-N 1 0 384.263 2.753 20 0 GFADRO C[N@H+](CC(=O)N1CCN(Cc2ccc(Br)cc2)CC1)C1CCC1 ZINC000629973250 565878375 /nfs/dbraw/zinc/87/83/75/565878375.db2.gz MGNZCSWNKURUIV-UHFFFAOYSA-N 1 0 380.330 2.578 20 0 GFADRO Cc1cc(Br)sc1S(=O)(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000651607274 565879186 /nfs/dbraw/zinc/87/91/86/565879186.db2.gz JCIBIWVPFMGPTB-VXGBXAGGSA-N 1 0 393.372 2.924 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)c2c(F)cncc2Br)CC[C@H]1C(F)(F)F ZINC000630092549 565880615 /nfs/dbraw/zinc/88/06/15/565880615.db2.gz RBWHOSOLFUNETJ-JGVFFNPUSA-N 1 0 384.171 2.583 20 0 GFADRO O[C@@H](C[N@@H+]1CC[C@@H](c2cccc(Br)c2)C1)CC1(O)CCOCC1 ZINC000630048073 565881139 /nfs/dbraw/zinc/88/11/39/565881139.db2.gz YNDQIBMXGLPGEZ-NVXWUHKLSA-N 1 0 384.314 2.531 20 0 GFADRO COC(=O)c1ccc(Cn2cc([C@@H]([NH3+])C(C)(C)C)nn2)c(Br)c1 ZINC000603240054 565891198 /nfs/dbraw/zinc/89/11/98/565891198.db2.gz PUAONWXGGPLZAB-CQSZACIVSA-N 1 0 381.274 2.921 20 0 GFADRO COC(=O)c1ccc(Cn2cc(C[NH2+]C3CCCC3)nn2)c(Br)c1 ZINC000603242816 565891877 /nfs/dbraw/zinc/89/18/77/565891877.db2.gz YADPVWXILZTGAN-UHFFFAOYSA-N 1 0 393.285 2.908 20 0 GFADRO O=C(N[C@H]1CC[N@@H+](C2CC2)C1)N1CCc2c(F)cc(Br)cc2C1 ZINC000675245878 565896363 /nfs/dbraw/zinc/89/63/63/565896363.db2.gz HZWWUXJXALKBIU-ZDUSSCGKSA-N 1 0 382.277 2.893 20 0 GFADRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)c2ncc(I)s2)C1 ZINC000603426530 565904425 /nfs/dbraw/zinc/90/44/25/565904425.db2.gz FUMWKKCGQZXJLZ-SNVBAGLBSA-N 1 0 393.294 2.598 20 0 GFADRO C[NH+](C)C[C@@H]1CN(S(=O)(=O)c2ccc(F)c(Cl)c2)c2ccccc2O1 ZINC000675472693 565905065 /nfs/dbraw/zinc/90/50/65/565905065.db2.gz RCENSKUDASFDSD-GFCCVEGCSA-N 1 0 384.860 2.997 20 0 GFADRO CCC[NH+]1CCC(NC(=O)c2ccc3cncc(Br)c3n2)CC1 ZINC000630544291 565909235 /nfs/dbraw/zinc/90/92/35/565909235.db2.gz UXSPUGVWQCHIST-UHFFFAOYSA-N 1 0 377.286 2.997 20 0 GFADRO C[NH+](C)CCCNC(=O)NC1CCN(Cc2ccc(Br)cc2)CC1 ZINC000675573696 565909530 /nfs/dbraw/zinc/90/95/30/565909530.db2.gz CPKVVOOBKDFGFR-UHFFFAOYSA-N 1 0 397.361 2.664 20 0 GFADRO CN1CC[N@H+](C)C[C@@H]1CNCc1csc(-c2cccc(Br)c2)n1 ZINC000603513853 565910134 /nfs/dbraw/zinc/91/01/34/565910134.db2.gz FRZPNOOOKLBZOO-INIZCTEOSA-N 1 0 395.370 2.908 20 0 GFADRO CN(CCC[NH2+][C@@H]1CCSc2ccc(Br)cc21)S(C)(=O)=O ZINC000675746568 565913990 /nfs/dbraw/zinc/91/39/90/565913990.db2.gz KNJVBBPVRQUCCT-CYBMUJFWSA-N 1 0 393.372 2.857 20 0 GFADRO CC[C@@H](Cc1cccs1)[NH2+]Cc1ccc(S(=O)(=O)NCCOC)cc1 ZINC000675783271 565915130 /nfs/dbraw/zinc/91/51/30/565915130.db2.gz FMQRKSCNHOVGON-INIZCTEOSA-N 1 0 382.551 2.784 20 0 GFADRO C[N@@H+]1CCCN(CCCNC(=O)CCc2ccccc2Br)CC1 ZINC000603812121 565915622 /nfs/dbraw/zinc/91/56/22/565915622.db2.gz HHSYFWSSLPOKHF-UHFFFAOYSA-N 1 0 382.346 2.526 20 0 GFADRO [NH3+]C[C@]12CCC[C@H]1CN(C(=O)NCCc1cc(Br)ccc1F)C2 ZINC000652140063 565916565 /nfs/dbraw/zinc/91/65/65/565916565.db2.gz BXVLHGXNQSFUSL-GUYCJALGSA-N 1 0 384.293 2.901 20 0 GFADRO O=C(Cc1ccc(Br)s1)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000603863196 565916937 /nfs/dbraw/zinc/91/69/37/565916937.db2.gz YRUAXAQAWAUMIL-ZDUSSCGKSA-N 1 0 387.343 2.766 20 0 GFADRO Cc1ccc(Br)c(NC(=O)C(=O)N(C)CC[NH+]2CCCCC2)c1 ZINC000652291335 565922283 /nfs/dbraw/zinc/92/22/83/565922283.db2.gz OQONNUWPCPHUBL-UHFFFAOYSA-N 1 0 382.302 2.640 20 0 GFADRO O=C(c1cc(Br)c2nccn2c1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000630859855 565923924 /nfs/dbraw/zinc/92/39/24/565923924.db2.gz IKGHXZRFMKDTFW-AWEZNQCLSA-N 1 0 377.286 2.797 20 0 GFADRO [NH3+]C[C@]12CCC[C@H]1CN(S(=O)(=O)c1cc(Br)sc1Cl)C2 ZINC000652376475 565925551 /nfs/dbraw/zinc/92/55/51/565925551.db2.gz OXNXNIUCFKZEDO-UFBFGSQYSA-N 1 0 399.763 2.914 20 0 GFADRO [NH3+]CC1(CCNS(=O)(=O)c2cc(Cl)c(Br)cc2F)CC1 ZINC000652378761 565926776 /nfs/dbraw/zinc/92/67/76/565926776.db2.gz BFEFDZPXGLFKKK-UHFFFAOYSA-N 1 0 385.686 2.649 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2S(=O)(=O)c2csc3ccccc32)C1 ZINC000652383408 565927584 /nfs/dbraw/zinc/92/75/84/565927584.db2.gz QIGPYTQOJNYFFY-KBMXLJTQSA-N 1 0 380.535 2.951 20 0 GFADRO COCC[N@@H+]1CCC[C@H](NC(=O)[C@H]2[C@@H]3c4ccc(Br)cc4C[C@H]23)C1 ZINC000630944243 565927842 /nfs/dbraw/zinc/92/78/42/565927842.db2.gz VDPQYOMQOMCBHK-DZJNRPSUSA-N 1 0 393.325 2.562 20 0 GFADRO COCC[N@@H+]1CCC[C@@H](NC(=O)Cc2cc(Cl)ccc2Br)C1 ZINC000676376250 565934646 /nfs/dbraw/zinc/93/46/46/565934646.db2.gz XJNKZCVLWQXKFM-CQSZACIVSA-N 1 0 389.721 2.872 20 0 GFADRO CC[NH+]1CCN([C@H](C)CNCc2ncc(Br)cc2Cl)CC1 ZINC000631042980 565935262 /nfs/dbraw/zinc/93/52/62/565935262.db2.gz YUXLCRXDNVYFBJ-GFCCVEGCSA-N 1 0 375.742 2.613 20 0 GFADRO C[C@H](Cc1ccc(Br)cc1)[NH2+]Cc1cn(C[C@H]2CCOC2)nn1 ZINC000631042349 565935718 /nfs/dbraw/zinc/93/57/18/565935718.db2.gz JCUFESQDIQSBGT-UKRRQHHQSA-N 1 0 379.302 2.798 20 0 GFADRO C[C@H](C[NH2+]Cc1cn(C[C@H]2CCOC2)nn1)Oc1ccc(Br)cc1 ZINC000631080945 565938476 /nfs/dbraw/zinc/93/84/76/565938476.db2.gz CPXDJJIUTDICJU-ZIAGYGMSSA-N 1 0 395.301 2.634 20 0 GFADRO CN(CC[NH+]1CCCCC1)C(=O)CSc1nnc(-c2cccs2)n1C ZINC000652989083 565951187 /nfs/dbraw/zinc/95/11/87/565951187.db2.gz VXKLIASJDDKGGG-UHFFFAOYSA-N 1 0 379.555 2.580 20 0 GFADRO Cc1cc(Br)ccc1C(=O)N1CCC([NH2+][C@H]2CCC[C@@H]2O)CC1 ZINC000631251077 565951281 /nfs/dbraw/zinc/95/12/81/565951281.db2.gz GYPYWBAVFFAEQW-IRXDYDNUSA-N 1 0 381.314 2.865 20 0 GFADRO C[C@H](CNC(=O)c1cccc2c(Br)cccc12)N1CC[NH+](C)CC1 ZINC000631277363 565952315 /nfs/dbraw/zinc/95/23/15/565952315.db2.gz FWINVWCVVXZZRZ-CQSZACIVSA-N 1 0 390.325 2.968 20 0 GFADRO C[C@@H](NC(=O)[C@@H]1CCC[NH2+]CC1)c1cc2c(cc1Br)OCCO2 ZINC000653074588 565952838 /nfs/dbraw/zinc/95/28/38/565952838.db2.gz NYEZGHVKVDNARJ-VXGBXAGGSA-N 1 0 383.286 2.787 20 0 GFADRO CCOc1ccc(Br)cc1CN(C(=O)[C@@H](N)CC[NH+](C)C)C1CC1 ZINC000653086760 565953952 /nfs/dbraw/zinc/95/39/52/565953952.db2.gz ARDIPRDRCIDZAC-INIZCTEOSA-N 1 0 398.345 2.618 20 0 GFADRO C[NH+](C)CC[C@@H](N)C(=O)NCC1(c2ccc(Br)cc2)CCCC1 ZINC000653094825 565955577 /nfs/dbraw/zinc/95/55/77/565955577.db2.gz RPSUIYDITNGJCS-MRXNPFEDSA-N 1 0 382.346 2.656 20 0 GFADRO COc1ccc(Br)cc1C(=O)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000653186578 565957490 /nfs/dbraw/zinc/95/74/90/565957490.db2.gz MHGIECJSFGLXNW-DXCKQFNASA-N 1 0 397.313 2.816 20 0 GFADRO COCC[NH2+]C1CCN(C(=O)C2(c3ccc(Br)cc3)CC2)CC1 ZINC000653180741 565957638 /nfs/dbraw/zinc/95/76/38/565957638.db2.gz PPFXSWIHPANBSP-UHFFFAOYSA-N 1 0 381.314 2.708 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(C(=O)c3ccc(Br)cc3F)C2)C1 ZINC000653191145 565958506 /nfs/dbraw/zinc/95/85/06/565958506.db2.gz SGVJWUYUEOEPGU-GHJWDPDVSA-N 1 0 385.277 2.947 20 0 GFADRO Cc1c(C(=O)NCCC2(C[NH3+])CC2)cnn1-c1ccc(Br)cc1 ZINC000653218204 565959640 /nfs/dbraw/zinc/95/96/40/565959640.db2.gz ZXGPVFHZWORAQZ-UHFFFAOYSA-N 1 0 377.286 2.802 20 0 GFADRO O=C(NCCC1CC[NH2+]CC1)[C@@H]1CCN(c2cc(Cl)ccc2Cl)C1=O ZINC000653270130 565961252 /nfs/dbraw/zinc/96/12/52/565961252.db2.gz FXVBWFCLAHQVTD-AWEZNQCLSA-N 1 0 384.307 2.852 20 0 GFADRO C[NH+](C)[C@@]1(CNC(=O)c2ccc3cncc(Br)c3n2)CCSC1 ZINC000631615532 565963554 /nfs/dbraw/zinc/96/35/54/565963554.db2.gz GJNIBVBAZWEPNC-MRXNPFEDSA-N 1 0 395.326 2.559 20 0 GFADRO O=C(NCc1n[nH]cc1Br)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000606694569 565969874 /nfs/dbraw/zinc/96/98/74/565969874.db2.gz AUDZFNYIZIBANK-UHFFFAOYSA-N 1 0 398.349 2.970 20 0 GFADRO CC1CC[NH+](Cc2ccc(CNS(=O)(=O)c3c[nH]c(=O)s3)cc2)CC1 ZINC000631715472 565969925 /nfs/dbraw/zinc/96/99/25/565969925.db2.gz RWCPCNDPGGMJPL-UHFFFAOYSA-N 1 0 381.523 2.559 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CN1CCC(CO)([NH2+]C(C)C)CC1 ZINC000653728508 565980151 /nfs/dbraw/zinc/98/01/51/565980151.db2.gz UYYXYKCNEGHTLJ-UHFFFAOYSA-N 1 0 398.345 2.521 20 0 GFADRO C[C@H]([NH3+])c1ccc(CNS(=O)(=O)Cc2ncsc2Br)cc1 ZINC000631907308 565982433 /nfs/dbraw/zinc/98/24/33/565982433.db2.gz IFXUMFGBYLEFTB-VIFPVBQESA-N 1 0 390.328 2.545 20 0 GFADRO C[NH+](C)CCn1cc(NCc2cn(-c3ccc(Cl)cc3Cl)nn2)cn1 ZINC000677749555 565983328 /nfs/dbraw/zinc/98/33/28/565983328.db2.gz NFJMYAZRSSGVSH-UHFFFAOYSA-N 1 0 380.283 2.944 20 0 GFADRO Cc1cc(Cl)c(Br)cc1S(=O)(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000631931203 565984779 /nfs/dbraw/zinc/98/47/79/565984779.db2.gz IARCTHLEWDEVSV-NXEZZACHSA-N 1 0 381.723 2.769 20 0 GFADRO Cc1cc(Cl)c(Br)cc1S(=O)(=O)N1CC[C@H]([C@H](C)[NH3+])C1 ZINC000631931204 565984968 /nfs/dbraw/zinc/98/49/68/565984968.db2.gz IARCTHLEWDEVSV-UWVGGRQHSA-N 1 0 381.723 2.769 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)CCNC(=O)Nc2ccc(Br)cc2)CC[N@@H+]1C ZINC000607690170 565987693 /nfs/dbraw/zinc/98/76/93/565987693.db2.gz DYUYJXZVUWIVQK-DOMZBBRYSA-N 1 0 397.317 2.560 20 0 GFADRO O=S(=O)(c1c(Cl)cccc1Br)N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631993673 565989703 /nfs/dbraw/zinc/98/97/03/565989703.db2.gz XDTRTXGFZTXNJN-ZWNOBZJWSA-N 1 0 393.734 2.865 20 0 GFADRO O=S(=O)(c1onc(C2CC2)c1Cl)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000632128025 566001384 /nfs/dbraw/zinc/00/13/84/566001384.db2.gz NYXWFAIDRVGUIG-TZMCWYRMSA-N 1 0 385.917 2.843 20 0 GFADRO C[C@H](CNC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)Oc1ccc(Br)cc1 ZINC000654465386 566011159 /nfs/dbraw/zinc/01/11/59/566011159.db2.gz QXGUACSQIXGWBX-NFAWXSAZSA-N 1 0 384.318 2.856 20 0 GFADRO O=C(Nc1ccn(-c2ccc(Cl)cc2Cl)n1)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000678579630 566013304 /nfs/dbraw/zinc/01/33/04/566013304.db2.gz RXBQAGURGRVMTG-HNNXBMFYSA-N 1 0 380.279 2.508 20 0 GFADRO C[C@@H](Cc1ccc(Br)c(F)c1)[NH2+][C@@H]1CCN(C2CCOCC2)C1=O ZINC000678595315 566013946 /nfs/dbraw/zinc/01/39/46/566013946.db2.gz WLQACHSVNXMQDF-YVEFUNNKSA-N 1 0 399.304 2.889 20 0 GFADRO O=S1(=O)CCCN1CCC[NH2+][C@@H](c1ccc(Br)cc1)C1CC1 ZINC000678689479 566017313 /nfs/dbraw/zinc/01/73/13/566017313.db2.gz ZVJFFCWMBJZVPA-MRXNPFEDSA-N 1 0 387.343 2.915 20 0 GFADRO CC[C@H]([NH2+]CCCN(C)S(C)(=O)=O)c1cc(F)cc(Br)c1 ZINC000678923903 566024559 /nfs/dbraw/zinc/02/45/59/566024559.db2.gz GTYJXLQDPFFEAZ-AWEZNQCLSA-N 1 0 381.311 2.910 20 0 GFADRO CCOc1c(Cl)cc(NC(=O)C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)cc1Cl ZINC000654890464 566028392 /nfs/dbraw/zinc/02/83/92/566028392.db2.gz XEWYHWKYGYXUFX-KLPPZKSPSA-N 1 0 388.295 2.787 20 0 GFADRO O=C(Nc1ccc(F)c(Br)c1)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000654946728 566031180 /nfs/dbraw/zinc/03/11/80/566031180.db2.gz MJJKDYCWJZGGEW-LSDHHAIUSA-N 1 0 398.276 2.660 20 0 GFADRO O=C(Nc1ccc(F)cc1Br)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000654945272 566031385 /nfs/dbraw/zinc/03/13/85/566031385.db2.gz AGBUXPJMUYXXQS-CABCVRRESA-N 1 0 398.276 2.660 20 0 GFADRO COC(=O)C[C@@H](NC(=O)CCCC[NH+](C)C)c1cccc(Br)c1 ZINC000609159365 566032198 /nfs/dbraw/zinc/03/21/98/566032198.db2.gz MDCPRZNWMZKCFC-OAHLLOKOSA-N 1 0 385.302 2.901 20 0 GFADRO O=S(=O)(c1ccc(C(F)(F)F)s1)N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000632451650 566033177 /nfs/dbraw/zinc/03/31/77/566033177.db2.gz WOLDIXDXUZZVGW-UHFFFAOYSA-N 1 0 398.472 2.642 20 0 GFADRO CC[NH+](CC)CC[C@H](CO)NC(=O)[C@@H]1CCOc2ccc(Br)cc21 ZINC000655049824 566037552 /nfs/dbraw/zinc/03/75/52/566037552.db2.gz WQWAZOBBURLOIP-HUUCEWRRSA-N 1 0 399.329 2.524 20 0 GFADRO CS(=O)(=O)CCC[NH2+][C@@H](c1ccc(Br)cc1)[C@@H]1CCCO1 ZINC000679339411 566037612 /nfs/dbraw/zinc/03/76/12/566037612.db2.gz JMMGTUBJPNSPGN-GJZGRUSLSA-N 1 0 376.316 2.694 20 0 GFADRO CSc1cc(Br)ccc1C(=O)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000655121632 566041582 /nfs/dbraw/zinc/04/15/82/566041582.db2.gz JAYQVLGRQGITGT-ZDUSSCGKSA-N 1 0 387.343 2.748 20 0 GFADRO CSc1cc(Br)ccc1C(=O)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000655121631 566041661 /nfs/dbraw/zinc/04/16/61/566041661.db2.gz JAYQVLGRQGITGT-CYBMUJFWSA-N 1 0 387.343 2.748 20 0 GFADRO CCC(C)(C)[NH+]1CCN(C(=O)CNC(=O)c2cccc(Br)c2)CC1 ZINC000655274785 566049750 /nfs/dbraw/zinc/04/97/50/566049750.db2.gz VUBZGWXUICPUFL-UHFFFAOYSA-N 1 0 396.329 2.512 20 0 GFADRO CC1([NH+]2CCCC2)CCN(S(=O)(=O)c2ncccc2C(F)(F)F)CC1 ZINC000632639270 566053362 /nfs/dbraw/zinc/05/33/62/566053362.db2.gz SEVBEBWJTQYEFM-UHFFFAOYSA-N 1 0 377.432 2.739 20 0 GFADRO CNC(=O)[C@@H]1CCC[N@@H+]1CCCC(=O)Nc1c(C)cc(Br)cc1C ZINC000679816007 566053572 /nfs/dbraw/zinc/05/35/72/566053572.db2.gz QWRJDEUUUPAVFJ-HNNXBMFYSA-N 1 0 396.329 2.995 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)CCC[N@H+]1C[C@H](CO)OC[C@@H]1C ZINC000679820210 566054049 /nfs/dbraw/zinc/05/40/49/566054049.db2.gz YTVHWZSHBYQBIW-GOEBONIOSA-N 1 0 399.329 2.866 20 0 GFADRO COc1ccccc1[C@@H](CO)[NH2+]C[C@H](O)COc1cccc(Br)c1 ZINC000679827005 566055519 /nfs/dbraw/zinc/05/55/19/566055519.db2.gz NSRBGIQRCOQLNU-WMLDXEAASA-N 1 0 396.281 2.521 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000655420688 566055755 /nfs/dbraw/zinc/05/57/55/566055755.db2.gz CQVOZQIRQFYNMM-KBXCAEBGSA-N 1 0 394.313 2.544 20 0 GFADRO O=C(NC1(c2cccc(Br)c2)CCOCC1)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000655429904 566055855 /nfs/dbraw/zinc/05/58/55/566055855.db2.gz PZZZNLCPRFDGNB-WMZOPIPTSA-N 1 0 393.325 2.961 20 0 GFADRO O=C([C@@H]1C[C@@]12CCC[NH2+]C2)N1CCO[C@@H](c2cccc(Br)c2)C1 ZINC000655431232 566056540 /nfs/dbraw/zinc/05/65/40/566056540.db2.gz YIHBIKDCBUUTBB-LZLYRXPVSA-N 1 0 379.298 2.739 20 0 GFADRO C[C@H](Oc1ccc(Cl)cc1Br)C(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000655508117 566061154 /nfs/dbraw/zinc/06/11/54/566061154.db2.gz BLCZXAVLTCMLSE-QUBYGPBYSA-N 1 0 389.599 2.876 20 0 GFADRO Cc1c(Br)cccc1CS(=O)(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000655502914 566061168 /nfs/dbraw/zinc/06/11/68/566061168.db2.gz CTKMOLNTPOYUGN-HNNXBMFYSA-N 1 0 387.343 2.661 20 0 GFADRO Cc1cc(S(=O)(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)ccc1Cl ZINC000655539358 566065313 /nfs/dbraw/zinc/06/53/13/566065313.db2.gz QDNZTNLVLVUMQY-MSOLQXFVSA-N 1 0 386.945 2.695 20 0 GFADRO COc1cc(C(=O)N2CCC[C@H]3C[NH2+]CC[C@H]32)cc(OC)c1Br ZINC000632861169 566070853 /nfs/dbraw/zinc/07/08/53/566070853.db2.gz LKRITCKZPXSREZ-WCQYABFASA-N 1 0 383.286 2.680 20 0 GFADRO CN(CCO)Cc1cc(NC(=O)c2n[nH]cc2C(F)(F)F)ccc1Cl ZINC000632843130 566071231 /nfs/dbraw/zinc/07/12/31/566071231.db2.gz HGCFHWZUZREEGR-UHFFFAOYSA-N 1 0 376.766 2.758 20 0 GFADRO C[NH+](C)CC1(CNC(=O)CS(=O)(=O)Cc2ccc(Cl)s2)CCCC1 ZINC000680570341 566076499 /nfs/dbraw/zinc/07/64/99/566076499.db2.gz WKXKBORMGRWPCF-UHFFFAOYSA-N 1 0 392.974 2.555 20 0 GFADRO O=C(Nc1cnc2c(c1)C[NH2+]CC2)N[C@H]1[C@@H]2Cc3cc(Br)ccc3[C@@H]21 ZINC000632950759 566076662 /nfs/dbraw/zinc/07/66/62/566076662.db2.gz NQLKANUSDZIKRG-NJAFHUGGSA-N 1 0 399.292 2.950 20 0 GFADRO O=S(=O)(N[C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccccc1OC(F)(F)F ZINC000655668552 566080487 /nfs/dbraw/zinc/08/04/87/566080487.db2.gz GSIWBTQZPBVNLW-STQMWFEESA-N 1 0 378.416 2.880 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)C(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000633045520 566080901 /nfs/dbraw/zinc/08/09/01/566080901.db2.gz LWAIXFFFZONRRP-CQSZACIVSA-N 1 0 396.329 2.844 20 0 GFADRO Cc1ccc(NC(=O)C(=O)N[C@@H]2CC[NH2+]CC(C)(C)C2)cc1Br ZINC000633047384 566081506 /nfs/dbraw/zinc/08/15/06/566081506.db2.gz NLWKRFRGDYLTRL-CYBMUJFWSA-N 1 0 382.302 2.590 20 0 GFADRO O=S(=O)(N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccc(F)cc1Br ZINC000655669277 566081808 /nfs/dbraw/zinc/08/18/08/566081808.db2.gz OEAILTPDXLSMJH-KGLIPLIRSA-N 1 0 391.306 2.883 20 0 GFADRO C[N@@H+]1CCC[C@@H](CNC(=O)N[C@@H]2[C@H]3Cc4cc(Br)ccc4[C@@H]23)C1 ZINC000633086125 566082501 /nfs/dbraw/zinc/08/25/01/566082501.db2.gz IXBOPFHJTHISHM-IAOMBJDPSA-N 1 0 378.314 2.728 20 0 GFADRO CN1CC[NH+]([C@H]2CC[C@@H](NC(=O)Cc3ccc(Br)cc3)CC2)CC1 ZINC000680841081 566083742 /nfs/dbraw/zinc/08/37/42/566083742.db2.gz LAIKYSJJDQAERX-HDICACEKSA-N 1 0 394.357 2.666 20 0 GFADRO Cc1nn(-c2ccccc2Br)cc1C[NH2+]C[C@H](O)COCC1CC1 ZINC000655723790 566084639 /nfs/dbraw/zinc/08/46/39/566084639.db2.gz PKQHEYOMZJGTHX-INIZCTEOSA-N 1 0 394.313 2.820 20 0 GFADRO CCc1ncc(S(=O)(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)s1 ZINC000680858961 566085137 /nfs/dbraw/zinc/08/51/37/566085137.db2.gz NZKBPUGAIKOBHP-MRXNPFEDSA-N 1 0 379.551 2.896 20 0 GFADRO Cc1nn(-c2cccc(Br)c2)cc1C[NH2+][C@@H]1CC(=O)N(C2CC2)C1 ZINC000655743283 566085492 /nfs/dbraw/zinc/08/54/92/566085492.db2.gz FPLAVXSAKRHRHA-OAHLLOKOSA-N 1 0 389.297 2.796 20 0 GFADRO CCc1nncn1CC[NH2+]Cc1cn(-c2ccccc2Br)nc1C ZINC000655743803 566085792 /nfs/dbraw/zinc/08/57/92/566085792.db2.gz VEOANBMNNIEJOD-UHFFFAOYSA-N 1 0 389.301 2.887 20 0 GFADRO C[NH+](C)CCn1cc(C(=O)N[C@H]2C[C@H](c3ccc(Br)cc3)C2)cn1 ZINC000633155650 566086498 /nfs/dbraw/zinc/08/64/98/566086498.db2.gz GURZOENFYUSKAK-CZIWCDLHSA-N 1 0 391.313 2.883 20 0 GFADRO Cc1nn(-c2cccc(Br)c2)cc1C[NH2+][C@H]1C(=O)NCC[C@H]1C ZINC000655769888 566088817 /nfs/dbraw/zinc/08/88/17/566088817.db2.gz RLAWLNUPCYDRIL-BDJLRTHQSA-N 1 0 377.286 2.557 20 0 GFADRO CCNC(=O)C(C)(C)[NH2+]Cc1cn(-c2ccccc2Br)nc1C ZINC000655792469 566089897 /nfs/dbraw/zinc/08/98/97/566089897.db2.gz JECLKNOZHUZUAD-UHFFFAOYSA-N 1 0 379.302 2.948 20 0 GFADRO COc1cc(C[NH2+]C[C@@](C)(CO)OC)cc(Br)c1OC(F)F ZINC000655809191 566090425 /nfs/dbraw/zinc/09/04/25/566090425.db2.gz SSKIXCQQFZPGBY-AWEZNQCLSA-N 1 0 384.217 2.546 20 0 GFADRO C[C@@H](c1ccccc1)[C@@H](CO)[NH2+]CC(=O)Nc1ccc(Br)cn1 ZINC000680988408 566090705 /nfs/dbraw/zinc/09/07/05/566090705.db2.gz AYDDNJIXZZHTQK-SWLSCSKDSA-N 1 0 378.270 2.537 20 0 GFADRO CCC1([NH+](C)C)CCN(C(=O)N[C@H](C)c2ncc(Br)cn2)CC1 ZINC000633261819 566091924 /nfs/dbraw/zinc/09/19/24/566091924.db2.gz CNZJZWVWNUINED-GFCCVEGCSA-N 1 0 384.322 2.816 20 0 GFADRO O=C(NC[C@H]1CCC[N@H+]1CCCO)c1oc2ccccc2c1Br ZINC000633251373 566092044 /nfs/dbraw/zinc/09/20/44/566092044.db2.gz FAJJCJUVUQTJNZ-GFCCVEGCSA-N 1 0 381.270 2.772 20 0 GFADRO Cn1nnc2c1CC[C@H]([NH2+]Cc1nc(-c3ccc(Br)cc3)c[nH]1)C2 ZINC000655842214 566092790 /nfs/dbraw/zinc/09/27/90/566092790.db2.gz OBXYWJAWPCFRAC-ZDUSSCGKSA-N 1 0 387.285 2.615 20 0 GFADRO CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000655920897 566097140 /nfs/dbraw/zinc/09/71/40/566097140.db2.gz JURFYNSLNDJHND-UWJYBYFXSA-N 1 0 398.223 2.714 20 0 GFADRO C[C@@H](NC(=O)N1CCC[N@@H+](C2CCCC2)CC1)c1ncc(Br)cn1 ZINC000655962178 566098819 /nfs/dbraw/zinc/09/88/19/566098819.db2.gz JGLBSHZMHXQDAN-CYBMUJFWSA-N 1 0 396.333 2.960 20 0 GFADRO Cc1ccc(CCC(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c(Br)c1 ZINC000681260848 566100602 /nfs/dbraw/zinc/10/06/02/566100602.db2.gz BAOZMYHGDGUGLC-MSOLQXFVSA-N 1 0 395.341 2.748 20 0 GFADRO CC[NH+]1CCN(c2ccccc2NS(=O)(=O)Cc2csc(C)n2)CC1 ZINC000681311928 566101052 /nfs/dbraw/zinc/10/10/52/566101052.db2.gz VQHLDDRSWFDAIW-UHFFFAOYSA-N 1 0 380.539 2.535 20 0 GFADRO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)C(=O)NCCCc1c(Cl)cccc1Cl ZINC000656022271 566101459 /nfs/dbraw/zinc/10/14/59/566101459.db2.gz DUMXRZJJBKCIOF-BLLLJJGKSA-N 1 0 386.323 2.676 20 0 GFADRO C[NH+](C)CCNC(=O)c1cccc(CNc2ncc(Br)cc2F)c1 ZINC000681382616 566103343 /nfs/dbraw/zinc/10/33/43/566103343.db2.gz VVIZUVMDCJQVKI-UHFFFAOYSA-N 1 0 395.276 2.887 20 0 GFADRO NS(=O)(=O)c1ccc(N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1C(F)(F)F ZINC000656225144 566114092 /nfs/dbraw/zinc/11/40/92/566114092.db2.gz DQQJFZIAVVESQQ-ZIAGYGMSSA-N 1 0 377.432 2.782 20 0 GFADRO C[NH+](C)CCn1cc(C(=O)N[C@H](CCO)c2cc(Cl)cc(Cl)c2)cn1 ZINC000633695508 566114300 /nfs/dbraw/zinc/11/43/00/566114300.db2.gz QANXUKSTVHESTJ-MRXNPFEDSA-N 1 0 385.295 2.605 20 0 GFADRO C[NH+]1CCC2(CC1)CN(c1ncc3scc(Br)c3n1)CCO2 ZINC000656204265 566114422 /nfs/dbraw/zinc/11/44/22/566114422.db2.gz SNVRMHOOTUMJBV-UHFFFAOYSA-N 1 0 383.315 2.755 20 0 GFADRO COc1cc2[nH+]ccc(N[C@@H]3CCc4c(nnn4C)C3)c2cc1Br ZINC000656220721 566114461 /nfs/dbraw/zinc/11/44/61/566114461.db2.gz VNJOBPLUEKJJBA-SNVBAGLBSA-N 1 0 388.269 2.526 20 0 GFADRO CN1C(=O)NC2(CC[NH+](Cc3oc4ccccc4c3Br)CC2)C1=O ZINC000656261214 566120918 /nfs/dbraw/zinc/12/09/18/566120918.db2.gz FZBQUQAPLNWUCP-UHFFFAOYSA-N 1 0 392.253 2.712 20 0 GFADRO Cc1cc(NC(=O)CNC2CC[NH+]([C@H]3CCOC3)CC2)ccc1Br ZINC000656264745 566121002 /nfs/dbraw/zinc/12/10/02/566121002.db2.gz QSNMLTJYBXYQLK-INIZCTEOSA-N 1 0 396.329 2.539 20 0 GFADRO C[C@H](CNC(=O)C(=O)NCCCc1c(Cl)cccc1Cl)[N@H+](C)C1CC1 ZINC000656309485 566123568 /nfs/dbraw/zinc/12/35/68/566123568.db2.gz MBHDXQQJYCVSEV-GFCCVEGCSA-N 1 0 386.323 2.641 20 0 GFADRO Cc1cc(Br)cc(C(=O)NCCN2CCC([NH+](C)C)CC2)c1C ZINC000611977195 566146983 /nfs/dbraw/zinc/14/69/83/566146983.db2.gz IHKOIOAGBBCYSC-UHFFFAOYSA-N 1 0 382.346 2.822 20 0 GFADRO COc1ccc(C[N@H+](C)C[C@@H](O)COc2cc(F)cc(Br)c2)cn1 ZINC000682219592 566147503 /nfs/dbraw/zinc/14/75/03/566147503.db2.gz SQUDPQVIWQFIDM-OAHLLOKOSA-N 1 0 399.260 2.864 20 0 GFADRO CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)Nc1ccc(Br)c(C)c1 ZINC000682272790 566149528 /nfs/dbraw/zinc/14/95/28/566149528.db2.gz KVRHHOHYBSUDBC-CYBMUJFWSA-N 1 0 382.302 2.687 20 0 GFADRO C[C@@H](C(=O)NC1CCN(C(=O)Nc2ccc(Br)cc2)CC1)[C@H](C)[NH3+] ZINC000634299469 566151498 /nfs/dbraw/zinc/15/14/98/566151498.db2.gz SAODKFDOPAQBSG-NEPJUHHUSA-N 1 0 397.317 2.545 20 0 GFADRO CC(C)[C@@H]([NH3+])C(=O)NC1CCN(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000634299464 566151812 /nfs/dbraw/zinc/15/18/12/566151812.db2.gz RLVBGJBRLBSIAB-OAHLLOKOSA-N 1 0 397.317 2.545 20 0 GFADRO C[NH+](C)CCN(C1CC1)S(=O)(=O)c1cc(Cl)cc(Br)c1 ZINC000656736149 566161611 /nfs/dbraw/zinc/16/16/11/566161611.db2.gz XCMPPQBAUJOVDU-UHFFFAOYSA-N 1 0 381.723 2.817 20 0 GFADRO C[N@H+](CCCCN1C(=O)N[C@@H](c2ccccc2Br)C1=O)C1CC1 ZINC000656818468 566167863 /nfs/dbraw/zinc/16/78/63/566167863.db2.gz VJICPDOXVINQPL-HNNXBMFYSA-N 1 0 380.286 2.916 20 0 GFADRO O[C@@H](C[NH2+]CCc1cc(Cl)ccc1Br)CC1(O)CCOCC1 ZINC000634710066 566170984 /nfs/dbraw/zinc/17/09/84/566170984.db2.gz RWSUKIUBNYPCRT-CQSZACIVSA-N 1 0 392.721 2.527 20 0 GFADRO CNC(=O)C1CCC([NH2+]C[C@H](O)COc2cc(Cl)cc(Cl)c2)CC1 ZINC000634711867 566172064 /nfs/dbraw/zinc/17/20/64/566172064.db2.gz VTCWLVFUVVRVDR-KWCHVYNWSA-N 1 0 375.296 2.628 20 0 GFADRO C[C@](O)(C[C@@H](O)C[NH2+][C@@H](CO)c1ccc(Cl)cc1C(F)(F)F)C1CC1 ZINC000634721159 566172462 /nfs/dbraw/zinc/17/24/62/566172462.db2.gz UPXNKIUJMLNSTL-KCXAZCMYSA-N 1 0 381.822 2.894 20 0 GFADRO CS(=O)(=O)C1(C[NH2+]C[C@H](O)COc2cc(Cl)cc(Cl)c2)CCCC1 ZINC000634714332 566172559 /nfs/dbraw/zinc/17/25/59/566172559.db2.gz JQEAHUBTDLWFAL-AWEZNQCLSA-N 1 0 396.336 2.680 20 0 GFADRO Cn1ncc(Br)c1C[NH2+]C[C@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC000634725787 566173856 /nfs/dbraw/zinc/17/38/56/566173856.db2.gz DBAPCYYGUWQDGL-GFCCVEGCSA-N 1 0 392.219 2.895 20 0 GFADRO C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)C[C@@H]1Sc3ccc(Cl)cc3NC1=O)C2 ZINC000634748709 566173995 /nfs/dbraw/zinc/17/39/95/566173995.db2.gz NJQATZRCZJOLOO-JCGIZDLHSA-N 1 0 379.913 2.601 20 0 GFADRO CCCOC[C@H](Cc1cccc(Br)c1)NC(=O)N[C@]1(C)CC[NH2+]C1 ZINC000612902092 566179075 /nfs/dbraw/zinc/17/90/75/566179075.db2.gz QAGGYEMZFUVIMS-FUHWJXTLSA-N 1 0 398.345 2.838 20 0 GFADRO C[C@H](CNC(=O)N[C@H]1CC12CC[NH2+]CC2)Oc1cccc(Br)c1 ZINC000612978447 566181676 /nfs/dbraw/zinc/18/16/76/566181676.db2.gz XTKQNQKELVDFBV-DOMZBBRYSA-N 1 0 382.302 2.658 20 0 GFADRO CC[NH+](CC)CCO[C@H]1CCN(S(=O)(=O)CCc2ccccc2Cl)C1 ZINC000656925846 566184231 /nfs/dbraw/zinc/18/42/31/566184231.db2.gz YYTUXULEAXIXSN-KRWDZBQOSA-N 1 0 388.961 2.645 20 0 GFADRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)c1cc(Br)cc2[nH]c(=O)[nH]c21 ZINC000613129169 566186049 /nfs/dbraw/zinc/18/60/49/566186049.db2.gz NYIJDELRIUKMEC-JTQLQIEISA-N 1 0 395.301 2.833 20 0 GFADRO C[C@@H](CC(F)(F)F)CS(=O)(=O)N1C[C@H](C[NH+](C)C)Oc2ccccc21 ZINC000656934502 566186439 /nfs/dbraw/zinc/18/64/39/566186439.db2.gz IHJOEDPHTVNAKU-STQMWFEESA-N 1 0 380.432 2.734 20 0 GFADRO Cc1ccc(C[NH2+]Cc2cnc(N3CCN(C)CC3)nc2)cc1Br ZINC000634990559 566188599 /nfs/dbraw/zinc/18/85/99/566188599.db2.gz RNULUISKZSCDAW-UHFFFAOYSA-N 1 0 390.329 2.589 20 0 GFADRO C[NH+](C)CCOc1ccc(CNC(=O)C(=O)Nc2cscc2Cl)cc1 ZINC000635037431 566190574 /nfs/dbraw/zinc/19/05/74/566190574.db2.gz MLWRJABQUCAPMD-UHFFFAOYSA-N 1 0 381.885 2.597 20 0 GFADRO C[NH+](C)[C@H]1CCCN(C(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CC2)CC1 ZINC000683260579 566191025 /nfs/dbraw/zinc/19/10/25/566191025.db2.gz YNXIHSQMWVDPKU-HNNXBMFYSA-N 1 0 384.929 2.589 20 0 GFADRO C[C@@H](NS(=O)(=O)c1ncccc1Br)[C@H](c1ccccc1)[NH+](C)C ZINC000656961041 566194532 /nfs/dbraw/zinc/19/45/32/566194532.db2.gz FHMLMHWDWVZMNP-IUODEOHRSA-N 1 0 398.326 2.814 20 0 GFADRO C[C@@H](CNS(=O)(=O)c1cc(Cl)c(Cl)cc1Br)[NH+](C)C ZINC000657002283 566204230 /nfs/dbraw/zinc/20/42/30/566204230.db2.gz ICPPNTFAWPIIMK-ZETCQYMHSA-N 1 0 390.130 2.984 20 0 GFADRO CC[C@@H]1Cc2c(Br)cccc2C[N@@H+]1C[C@H](O)CO[C@H](C)COC ZINC000683676549 566209405 /nfs/dbraw/zinc/20/94/05/566209405.db2.gz DXWLIALZHYFZOW-BMFZPTHFSA-N 1 0 386.330 2.998 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@H](CNS(=O)(=O)c2ccccc2Br)C1 ZINC000657034416 566210727 /nfs/dbraw/zinc/21/07/27/566210727.db2.gz PUVQQQHIYOSIHV-GFCCVEGCSA-N 1 0 375.332 2.848 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@@H](CNS(=O)(=O)c2ccc(OC(F)F)c(F)c2)C1 ZINC000657034996 566210987 /nfs/dbraw/zinc/21/09/87/566210987.db2.gz VXBRETBLQRCHMO-NSHDSACASA-N 1 0 380.432 2.826 20 0 GFADRO C[N@@H+]1CC[C@@H](CC(=O)NC2(c3ccc(Br)cc3)CCOCC2)C1 ZINC000635408834 566211191 /nfs/dbraw/zinc/21/11/91/566211191.db2.gz UJGVQPFEGAHKKH-AWEZNQCLSA-N 1 0 381.314 2.913 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@@H](NS(=O)(=O)c2ccc(F)c(Br)c2)C1 ZINC000657060950 566214721 /nfs/dbraw/zinc/21/47/21/566214721.db2.gz KGPJAJLAOTYNBZ-SNVBAGLBSA-N 1 0 379.295 2.739 20 0 GFADRO COc1ccc(Br)c2[nH]c(C(=O)N3C[C@@H]4C[N@@H+](C)C[C@@H]4C3)cc21 ZINC000683880199 566217492 /nfs/dbraw/zinc/21/74/92/566217492.db2.gz SLIXWVYWHWBQMW-PHIMTYICSA-N 1 0 378.270 2.573 20 0 GFADRO O=C(N[C@@H](CCO)c1ccccc1Br)C1CC[NH+](C2CC2)CC1 ZINC000683869264 566217669 /nfs/dbraw/zinc/21/76/69/566217669.db2.gz NHFFCFCIBFWXMO-KRWDZBQOSA-N 1 0 381.314 2.863 20 0 GFADRO CC[NH+](CC)CCN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccn(C)n1 ZINC000657122069 566226520 /nfs/dbraw/zinc/22/65/20/566226520.db2.gz GILVEFBBQIHUOB-UHFFFAOYSA-N 1 0 384.933 2.606 20 0 GFADRO CC[NH+](CC)CCS(=O)(=O)N(C)[C@@H](CO)c1cccc(Cl)c1Cl ZINC000657135129 566228429 /nfs/dbraw/zinc/22/84/29/566228429.db2.gz PRKFPRRSGIERQF-AWEZNQCLSA-N 1 0 383.341 2.630 20 0 GFADRO O=C1[C@H]([NH2+]C[C@H]2CNc3ccnn3C2)CCN1c1ccc(Cl)c(Cl)c1 ZINC000684199561 566230503 /nfs/dbraw/zinc/23/05/03/566230503.db2.gz DYULTEGUYHKIEU-XHDPSFHLSA-N 1 0 380.279 2.627 20 0 GFADRO C[C@H]([NH2+][C@H]1CCN(c2ccccc2C(N)=O)C1)c1ccc(Br)cn1 ZINC000684553661 566238294 /nfs/dbraw/zinc/23/82/94/566238294.db2.gz SRKGJBGRZIQNKZ-JSGCOSHPSA-N 1 0 389.297 2.873 20 0 GFADRO CCC[N@H+](C[C@@H]1CCCCO1)Cn1c(C)nnc1-c1cccc(-c2nn[nH]n2)c1 ZINC000736469323 598850669 /nfs/dbraw/zinc/85/06/69/598850669.db2.gz DDRIPKLUYNIJOZ-SFHVURJKSA-N 1 0 396.499 2.672 20 0 GFADRO C[C@@H](NC1(C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)CCOCC1)c1ccccc1 ZINC000736132440 598887096 /nfs/dbraw/zinc/88/70/96/598887096.db2.gz ODEMTKJROMESIY-QGZVFWFLSA-N 1 0 392.507 2.856 20 0 GFADRO Cc1ccccc1C[C@H]1CCC[N@@H+]1CC(=O)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000737425848 598947494 /nfs/dbraw/zinc/94/74/94/598947494.db2.gz FCOFVRCEBOIBIK-LJQANCHMSA-N 1 0 376.464 2.821 20 0 GFADRO Cc1ccccc1C[C@@H]1CCC[N@@H+]1CC(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000737426462 598947626 /nfs/dbraw/zinc/94/76/26/598947626.db2.gz MLTZGMFOPDOLQI-IBGZPJMESA-N 1 0 376.464 2.821 20 0 GFADRO Clc1cccc(-c2noc(CC[NH2+]Cc3ccc(-c4nn[nH]n4)cc3)n2)c1 ZINC000737576643 598963522 /nfs/dbraw/zinc/96/35/22/598963522.db2.gz ZWGXXFROIYCGIY-UHFFFAOYSA-N 1 0 381.827 2.902 20 0 GFADRO COc1cc(-c2nn[nH]n2)ccc1OCC[N@@H+]1CCC[C@@H]1Cc1ccccc1 ZINC000737033238 598980893 /nfs/dbraw/zinc/98/08/93/598980893.db2.gz SJDIIVCREWUUPI-GOSISDBHSA-N 1 0 379.464 2.961 20 0 GFADRO COc1cc(-c2nn[nH]n2)ccc1OCC[N@H+](C)CCCOc1ccccc1 ZINC000737032666 598983587 /nfs/dbraw/zinc/98/35/87/598983587.db2.gz JJJRPGMVANBNPC-UHFFFAOYSA-N 1 0 383.452 2.655 20 0 GFADRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000736288526 599011845 /nfs/dbraw/zinc/01/18/45/599011845.db2.gz IQATVHTYJQPUCE-INIZCTEOSA-N 1 0 391.479 2.995 20 0 GFADRO CC[C@@H](C(=O)OCc1c(-c2nn[nH]n2)c(C)nn1-c1ccccc1)[NH+](CC)CC ZINC000736312513 599018542 /nfs/dbraw/zinc/01/85/42/599018542.db2.gz GZFXWLIAAJHYIU-INIZCTEOSA-N 1 0 397.483 2.524 20 0 GFADRO NC(=O)[C@H]([NH2+]CC(c1ccccc1)c1ccccc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000737729681 599087653 /nfs/dbraw/zinc/08/76/53/599087653.db2.gz BJSUJFFMCALNML-OAQYLSRUSA-N 1 0 398.470 2.815 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)c2cccc(Oc3ccc(-c4nn[nH]n4)cc3)c2)CC[N@@H+]1C ZINC000736231698 599105811 /nfs/dbraw/zinc/10/58/11/599105811.db2.gz CDHODHKPTFRMFD-RHSMWYFYSA-N 1 0 392.463 2.872 20 0 GFADRO Cc1cc(N(C)[C@@H]2CCC[N@H+](C)C2)n2c3ccccc3nc2c1-c1nn[nH]n1 ZINC000737269692 599120987 /nfs/dbraw/zinc/12/09/87/599120987.db2.gz GUXLUYBXSDKZLR-CQSZACIVSA-N 1 0 376.468 2.506 20 0 GFADRO c1ccc(OCCCC[NH+]2CCN(c3ccccc3-c3nn[nH]n3)CC2)cc1 ZINC000738434317 599134177 /nfs/dbraw/zinc/13/41/77/599134177.db2.gz DHNGMCFDTDCEGN-UHFFFAOYSA-N 1 0 378.480 2.848 20 0 GFADRO CC1(C)[C@@H]2C[N@@H+](CC(=O)Nc3sc4c(c3-c3nn[nH]n3)CCCCC4)C[C@@H]21 ZINC000736206045 599146551 /nfs/dbraw/zinc/14/65/51/599146551.db2.gz MCTPJVGBZSPCQI-BETUJISGSA-N 1 0 386.525 2.723 20 0 GFADRO C[C@H]1CN(C(=O)c2cccc(Nc3ccc(-c4nn[nH]n4)cc3)c2)C[C@H]1[NH+](C)C ZINC000820742701 599201078 /nfs/dbraw/zinc/20/10/78/599201078.db2.gz MCHSBOUOCHUJMI-IFXJQAMLSA-N 1 0 391.479 2.632 20 0 GFADRO CCOCC[N@@H+]1CCN(c2ccc(-c3nn[nH]n3)c(C(F)(F)F)c2)C[C@H]1CC ZINC000736623672 599203987 /nfs/dbraw/zinc/20/39/87/599203987.db2.gz LAFVLFSVFDGWRR-CYBMUJFWSA-N 1 0 398.433 2.823 20 0 GFADRO COc1ccccc1[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)N1CCCC1 ZINC000737141669 599210826 /nfs/dbraw/zinc/21/08/26/599210826.db2.gz JCWGLUOSPNVMIE-IBGZPJMESA-N 1 0 378.480 2.802 20 0 GFADRO C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=S)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000736295828 599221666 /nfs/dbraw/zinc/22/16/66/599221666.db2.gz YTHAYMKPKGVWPR-YPMHNXCESA-N 1 0 391.932 2.776 20 0 GFADRO Cc1cc(F)cc2c1ncc(-c1nn[nH]n1)c2NC[C@H](c1ccco1)[NH+](C)C ZINC000737265158 599256596 /nfs/dbraw/zinc/25/65/96/599256596.db2.gz XZTYDOFAJSJTEK-OAHLLOKOSA-N 1 0 381.415 2.592 20 0 GFADRO Cc1cc(N2CCC([NH2+]C3CC3)CC2)n2c3ccccc3nc2c1-c1nn[nH]n1 ZINC000822206913 607302326 /nfs/dbraw/zinc/30/23/26/607302326.db2.gz CULCCQDZORCTTO-UHFFFAOYSA-N 1 0 388.479 2.697 20 0 GFADRO Cc1cc(F)cc2c1ncc(-c1nn[nH]n1)c2N1CCN(c2cc[nH+]cc2)CC1 ZINC000737262464 599259390 /nfs/dbraw/zinc/25/93/90/599259390.db2.gz GWVUWOJZKYDNQX-UHFFFAOYSA-N 1 0 390.426 2.584 20 0 GFADRO c1cc(C[NH+]2CCN(c3cc(-c4nn[nH]n4)nc4ccccc43)CC2)cs1 ZINC000738438088 599263303 /nfs/dbraw/zinc/26/33/03/599263303.db2.gz WDPBMIRPYHZVMX-UHFFFAOYSA-N 1 0 377.477 2.799 20 0 GFADRO c1cc(C[NH+]2CCN(c3c(-c4nn[nH]n4)cnc4ccccc43)CC2)cs1 ZINC000738435888 599263552 /nfs/dbraw/zinc/26/35/52/599263552.db2.gz DMZITLIJBVUILI-UHFFFAOYSA-N 1 0 377.477 2.799 20 0 GFADRO CC(C)C[C@@H](CNc1c(-c2nn[nH]n2)cnc2c(F)ccc(F)c21)[NH+](C)C ZINC000735772400 599263831 /nfs/dbraw/zinc/26/38/31/599263831.db2.gz SMXOWMPBIFQAOS-NSHDSACASA-N 1 0 375.427 2.503 20 0 GFADRO CC[NH+]1CCN(c2ccc(NCc3ccc(OC)c(-c4nn[nH]n4)c3)cc2)CC1 ZINC000821275837 607308863 /nfs/dbraw/zinc/30/88/63/607308863.db2.gz DQPYXAZBMQHEEN-UHFFFAOYSA-N 1 0 393.495 2.629 20 0 GFADRO O=C(CC[NH+]1CCC(Oc2cccc(-c3nn[nH]n3)c2)CC1)Nc1ccccc1 ZINC000737838323 598249522 /nfs/dbraw/zinc/24/95/22/598249522.db2.gz LULOXNJLMUUXOA-UHFFFAOYSA-N 1 0 392.463 2.739 20 0 GFADRO CCC1(C)CC[NH+](CC(=O)Nc2c(-c3nn[nH]n3)cnn2-c2ccccc2)CC1 ZINC000736397386 598254352 /nfs/dbraw/zinc/25/43/52/598254352.db2.gz SOUBNPQJXKPRLE-UHFFFAOYSA-N 1 0 394.483 2.503 20 0 GFADRO Cc1ccccc1[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2cccc(-c3nn[nH]n3)c2)C1 ZINC000737420715 598255407 /nfs/dbraw/zinc/25/54/07/598255407.db2.gz GZSVZQVZQQEUSX-DOTOQJQBSA-N 1 0 376.464 2.992 20 0 GFADRO Clc1cccc([C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)N2CCOCC2)c1 ZINC000737574435 598287794 /nfs/dbraw/zinc/28/77/94/598287794.db2.gz KDAQFCSKZBJBAU-IBGZPJMESA-N 1 0 398.898 2.683 20 0 GFADRO COc1ccc(Cl)cc1N1CC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000737098251 598356395 /nfs/dbraw/zinc/35/63/95/598356395.db2.gz AELZZSFOKKIQCS-INIZCTEOSA-N 1 0 384.871 2.897 20 0 GFADRO COc1ccc(C[NH2+]CCSCc2ccccc2-c2nn[nH]n2)c(OC)c1 ZINC000737092931 598360641 /nfs/dbraw/zinc/36/06/41/598360641.db2.gz RGJOKLCTAXAYRW-UHFFFAOYSA-N 1 0 385.493 2.907 20 0 GFADRO CN(C(=O)c1cc(-c2nn[nH]n2)cs1)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000821573430 607354106 /nfs/dbraw/zinc/35/41/06/607354106.db2.gz PWLKVQCVPQDQFW-UHFFFAOYSA-N 1 0 398.492 2.679 20 0 GFADRO COc1ccc(C[NH2+]CCSCc2ccccc2-c2nn[nH]n2)cc1OC ZINC000737093159 598360869 /nfs/dbraw/zinc/36/08/69/598360869.db2.gz UJECTSCSRLYFFO-UHFFFAOYSA-N 1 0 385.493 2.907 20 0 GFADRO CC1CC[NH+]([C@@H](CNC(=O)c2ccc(-c3nn[nH]n3)cn2)c2cccs2)CC1 ZINC000736279593 598438343 /nfs/dbraw/zinc/43/83/43/598438343.db2.gz ZCYVMWQLBOTYEC-INIZCTEOSA-N 1 0 397.508 2.526 20 0 GFADRO CC(C)[NH+](CCNC(=O)N(Cc1ccc(-c2nn[nH]n2)cc1)C1CC1)C(C)C ZINC000735860452 598475638 /nfs/dbraw/zinc/47/56/38/598475638.db2.gz GZJMQUJKZIXSIG-UHFFFAOYSA-N 1 0 385.516 2.660 20 0 GFADRO C[C@@H](CNC(=O)N(Cc1ccc(-c2nn[nH]n2)cc1)C1CC1)[N@@H+]1CCC[C@H](C)C1 ZINC000736269159 598477658 /nfs/dbraw/zinc/47/76/58/598477658.db2.gz ZJNMGXRTNJNANQ-HOTGVXAUSA-N 1 0 397.527 2.661 20 0 GFADRO CC1(C)CC[C@@H]([NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)c2ccccc21 ZINC000736210213 598530036 /nfs/dbraw/zinc/53/00/36/598530036.db2.gz HFEFGGYHEUXRRS-CXAGYDPISA-N 1 0 378.484 2.507 20 0 GFADRO COCC[N@H+](CCOc1ccc(F)cc1)Cc1ccc(F)cc1-c1nn[nH]n1 ZINC000736994510 598540390 /nfs/dbraw/zinc/54/03/90/598540390.db2.gz JKSPOXAOOCTGSM-UHFFFAOYSA-N 1 0 389.406 2.672 20 0 GFADRO C[C@@H](CC[NH+](C)C)NCc1cccc(OCc2ccccc2-c2nn[nH]n2)c1 ZINC000735986054 598561287 /nfs/dbraw/zinc/56/12/87/598561287.db2.gz KNKCAJLQZZQEFW-INIZCTEOSA-N 1 0 380.496 2.876 20 0 GFADRO O[C@@H]1CCC[C@@H]([NH2+]Cc2cccc(OCc3ccccc3-c3nn[nH]n3)c2)C1 ZINC000738389769 598562767 /nfs/dbraw/zinc/56/27/67/598562767.db2.gz MSQFCMBSVRRKHD-QZTJIDSGSA-N 1 0 379.464 2.839 20 0 GFADRO CC[NH+](CC)CCOc1ccc(C(=O)Nc2ccc(F)c(-c3nn[nH]n3)c2)cc1 ZINC000736531186 598598943 /nfs/dbraw/zinc/59/89/43/598598943.db2.gz SITDQAUDIRHUAV-UHFFFAOYSA-N 1 0 398.442 2.979 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)Nc1ccc(F)c(-c2nn[nH]n2)c1)c1cccc(F)c1 ZINC000736759696 598624208 /nfs/dbraw/zinc/62/42/08/598624208.db2.gz OFZICJSRJWOPFR-INIZCTEOSA-N 1 0 387.394 2.569 20 0 GFADRO O=C(NCCC[N@@H+]1CCc2ccccc2C1)Nc1ccc(F)c(-c2nn[nH]n2)c1 ZINC000738065905 598625335 /nfs/dbraw/zinc/62/53/35/598625335.db2.gz NAVSJENDYDPKOB-UHFFFAOYSA-N 1 0 395.442 2.576 20 0 GFADRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)Nc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC000736205680 598625640 /nfs/dbraw/zinc/62/56/40/598625640.db2.gz XNZNPUIFZQNHRC-XJKSGUPXSA-N 1 0 395.442 2.963 20 0 GFADRO COc1c(C)cnc(C[NH+]2CCC(Oc3ccc(-c4nn[nH]n4)cc3)CC2)c1C ZINC000737025070 598626528 /nfs/dbraw/zinc/62/65/28/598626528.db2.gz KXLMCJZTSKDGNU-UHFFFAOYSA-N 1 0 394.479 2.931 20 0 GFADRO CC[NH+](CC)CCN(CC(C)C)C(=O)CSc1ccc(-c2nn[nH]n2)cc1 ZINC000736530807 598653222 /nfs/dbraw/zinc/65/32/22/598653222.db2.gz MVNFBMSNPZIHBL-UHFFFAOYSA-N 1 0 390.557 2.785 20 0 GFADRO CCN1C[C@@H](C[N@H+](C)Cc2ccc(F)cc2-c2nn[nH]n2)Oc2ccccc21 ZINC000736566309 598678097 /nfs/dbraw/zinc/67/80/97/598678097.db2.gz YRFUHKDHPHQASX-MRXNPFEDSA-N 1 0 382.443 2.725 20 0 GFADRO CCCC[C@@H]([NH2+]Cc1cnc2c(-c3nn[nH]n3)cnn2c1)c1ccc(OC)cc1 ZINC000736439188 598698014 /nfs/dbraw/zinc/69/80/14/598698014.db2.gz RYJUEIJTLDSRQK-GOSISDBHSA-N 1 0 392.467 2.939 20 0 GFADRO CC[N@H+](C)Cc1cccc(CNC(=O)Nc2cc(-c3nn[nH]n3)ccc2C)c1 ZINC000736510025 598729034 /nfs/dbraw/zinc/72/90/34/598729034.db2.gz NZCQOLMVBYYZGU-UHFFFAOYSA-N 1 0 379.468 2.949 20 0 GFADRO O=C(CC[N@@H+]1CCC[C@@H]1c1ccc[nH]1)Nc1sc2c(c1-c1nn[nH]n1)CCC2 ZINC000737845338 598759200 /nfs/dbraw/zinc/75/92/00/598759200.db2.gz ZFBAYKMOIPZMAH-CQSZACIVSA-N 1 0 397.508 2.911 20 0 GFADRO Cc1cc(N2CCC[C@@H](C[NH+](C)C)C2)n2c3ccccc3nc2c1-c1nn[nH]n1 ZINC000737272622 598787868 /nfs/dbraw/zinc/78/78/68/598787868.db2.gz UQCLPBKPAQLCPP-HNNXBMFYSA-N 1 0 390.495 2.754 20 0 GFADRO C[NH+](C)CCOc1ccc(CCNc2c(F)cc(-c3nn[nH]n3)cc2F)cc1 ZINC000736768937 598797587 /nfs/dbraw/zinc/79/75/87/598797587.db2.gz JTZPRZOTHLAETP-UHFFFAOYSA-N 1 0 388.422 2.740 20 0 GFADRO C[C@H](C(=O)Nc1ccccc1-c1nn[nH]n1)N1CCC[C@@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000735564950 598809441 /nfs/dbraw/zinc/80/94/41/598809441.db2.gz ZOIYBHGSQAMAIW-YYIAUSFCSA-N 1 0 397.527 2.531 20 0 GFADRO C[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000736822326 598813236 /nfs/dbraw/zinc/81/32/36/598813236.db2.gz LTLGPQIXMMXTBA-INIZCTEOSA-N 1 0 386.500 2.946 20 0 GFADRO C[C@H](c1ccc(-c2nn[nH]n2)cc1)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000736199238 599311635 /nfs/dbraw/zinc/31/16/35/599311635.db2.gz WQPDPYBWTVHXLU-CQSZACIVSA-N 1 0 398.433 2.514 20 0 GFADRO Cc1cccnc1[C@@H]([NH2+][C@H](C)C(=O)Nc1cccc(-c2nn[nH]n2)c1)C(C)C ZINC000737432552 599355630 /nfs/dbraw/zinc/35/56/30/599355630.db2.gz AQYZIIRZHJRBBB-PBHICJAKSA-N 1 0 379.468 2.884 20 0 GFADRO O=C(OCc1ccc(-c2nn[nH]n2)cc1F)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000738232478 599367635 /nfs/dbraw/zinc/36/76/35/599367635.db2.gz RHCXLWBZNKDSAP-QGZVFWFLSA-N 1 0 395.438 2.961 20 0 GFADRO C[C@H]([NH2+]Cc1cc(F)ccc1N1CCOCC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000820427523 599378289 /nfs/dbraw/zinc/37/82/89/599378289.db2.gz SEFUGDXQXPZVFK-AWEZNQCLSA-N 1 0 382.443 2.693 20 0 GFADRO CCOc1ccccc1NC(=O)[C@@H](C)[NH2+][C@H](C)c1cccc(-c2nn[nH]n2)c1 ZINC000821436916 599388956 /nfs/dbraw/zinc/38/89/56/599388956.db2.gz HNCNFOQXGMSKNT-ZIAGYGMSSA-N 1 0 380.452 2.943 20 0 GFADRO Cc1ccccc1CCNC(=O)[C@H](C)[NH2+][C@H](C)c1cccc(-c2nn[nH]n2)c1 ZINC000822356100 599389180 /nfs/dbraw/zinc/38/91/80/599389180.db2.gz JLQRAUOFBQKIOU-CVEARBPZSA-N 1 0 378.480 2.573 20 0 GFADRO C[C@H]([NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1)C(=O)N(C)Cc1cccc(F)c1 ZINC000820414513 599390184 /nfs/dbraw/zinc/39/01/84/599390184.db2.gz YTMXBQHLRQVFPH-KBPBESRZSA-N 1 0 382.443 2.704 20 0 GFADRO COc1ccc(CCC[NH2+]Cc2ccc(OC)c(-c3nn[nH]n3)c2)cc1OC ZINC000821791026 599416982 /nfs/dbraw/zinc/41/69/82/599416982.db2.gz ZLGLBZFFERBLOL-UHFFFAOYSA-N 1 0 383.452 2.615 20 0 GFADRO COc1cc(C[NH2+]CCOc2ccc(-c3nn[nH]n3)cc2)ccc1OC(C)C ZINC000821717709 599450839 /nfs/dbraw/zinc/45/08/39/599450839.db2.gz VJFXSQDXWGHEQE-UHFFFAOYSA-N 1 0 383.452 2.831 20 0 GFADRO COc1ccc(C[NH2+]CCOc2ccc(-c3nn[nH]n3)cc2)cc1OC(F)F ZINC000821813896 599450922 /nfs/dbraw/zinc/45/09/22/599450922.db2.gz OMDQYTMQZRYGPU-UHFFFAOYSA-N 1 0 391.378 2.645 20 0 GFADRO FC(F)(F)Oc1ccccc1C[NH2+]Cc1cnc2ccc(-c3nn[nH]n3)cn12 ZINC000737625961 599483181 /nfs/dbraw/zinc/48/31/81/599483181.db2.gz DYMBBRFRAJZFGA-UHFFFAOYSA-N 1 0 389.341 2.703 20 0 GFADRO c1nc2ccc(-c3nn[nH]n3)cn2c1C[NH2+]C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000738426632 599487490 /nfs/dbraw/zinc/48/74/90/599487490.db2.gz FVAXFIRGBCGHON-OXQOHEQNSA-N 1 0 389.463 2.772 20 0 GFADRO Fc1ccc(F)c2c1ncc(-c1nn[nH]n1)c2N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000822775378 599545443 /nfs/dbraw/zinc/54/54/43/599545443.db2.gz WYJMTARDFQTVDL-GFCCVEGCSA-N 1 0 385.422 2.758 20 0 GFADRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000821196585 599546516 /nfs/dbraw/zinc/54/65/16/599546516.db2.gz BEBJKDGZIJWYBJ-GOSISDBHSA-N 1 0 390.491 2.851 20 0 GFADRO C[C@H](c1cccnc1)[NH+]1CCN(c2cc(-c3nn[nH]n3)nc3ccccc32)CC1 ZINC000820569991 599559939 /nfs/dbraw/zinc/55/99/39/599559939.db2.gz BPNOHGUBIQCLQK-OAHLLOKOSA-N 1 0 386.463 2.693 20 0 GFADRO CC[NH+]1CCC(NC(=O)c2cccc(Nc3ccc(-c4nn[nH]n4)cc3)c2)CC1 ZINC000736570333 599561969 /nfs/dbraw/zinc/56/19/69/599561969.db2.gz LSDHUOKVTOXLRT-UHFFFAOYSA-N 1 0 391.479 2.824 20 0 GFADRO CN(C)c1cccc(C[NH+]2CCC(Oc3cccc(-c4nn[nH]n4)c3)CC2)c1 ZINC000821591028 599574118 /nfs/dbraw/zinc/57/41/18/599574118.db2.gz QTBXZPKPNZJNJM-UHFFFAOYSA-N 1 0 378.480 2.976 20 0 GFADRO CN(CCOc1ccc(-c2nn[nH]n2)cc1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000821603549 599592733 /nfs/dbraw/zinc/59/27/33/599592733.db2.gz DJCKYLKCBWSNSJ-LJQANCHMSA-N 1 0 392.507 2.699 20 0 GFADRO C[C@@H]1CC[N@H+](C[C@@H](O)COc2ccc(-c3nn[nH]n3)cc2)[C@@H](c2ccco2)C1 ZINC000820723039 599594231 /nfs/dbraw/zinc/59/42/31/599594231.db2.gz UOADFSIROUWWIR-QGPMSJSTSA-N 1 0 383.452 2.673 20 0 GFADRO CN(C)c1cccc([C@@H]2CCC[N@@H+]2CC(=O)Nc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000821589203 599639413 /nfs/dbraw/zinc/63/94/13/599639413.db2.gz CBOXEOSXQPJQDM-IBGZPJMESA-N 1 0 391.479 2.708 20 0 GFADRO CC[C@@H]1C[N@H+](CCC(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)CCS1 ZINC000820994126 599643899 /nfs/dbraw/zinc/64/38/99/599643899.db2.gz DYRJLHPZADDNNK-GFCCVEGCSA-N 1 0 380.905 2.676 20 0 GFADRO C[C@H](NC(=O)N[C@H](C[NH+](C)C)c1ccccc1)c1cccc(-c2nn[nH]n2)c1 ZINC000820349817 599666414 /nfs/dbraw/zinc/66/64/14/599666414.db2.gz IWWNXDNPZJAFRO-KBXCAEBGSA-N 1 0 379.468 2.530 20 0 GFADRO CC[NH+](CC)CCN(CC(C)C)C(=O)NCc1cc(-c2nn[nH]n2)ccc1F ZINC000821189755 599678822 /nfs/dbraw/zinc/67/88/22/599678822.db2.gz SEALFPDNJZDRBF-UHFFFAOYSA-N 1 0 391.495 2.515 20 0 GFADRO CC(C)Oc1ccc(NC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)cc1-c1nn[nH]n1 ZINC000820166384 607429451 /nfs/dbraw/zinc/42/94/51/607429451.db2.gz XMYCUMRPCJGOKX-MRXNPFEDSA-N 1 0 399.499 2.746 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1cc(C(=O)[O-])c(F)cc1F ZINC000737117119 600684570 /nfs/dbraw/zinc/68/45/70/600684570.db2.gz WTVZXTPFFVMGSJ-CYBMUJFWSA-N 1 0 398.454 2.543 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@@H+]1Cc1ccc(F)cc1-c1nn[nH]n1 ZINC000824892663 607474469 /nfs/dbraw/zinc/47/44/69/607474469.db2.gz LLQOSIGRGPIIMX-DOMZBBRYSA-N 1 0 390.463 2.883 20 0 GFADRO Fc1ccc(CN2CCC([NH2+]Cc3ccc(-c4nn[nH]n4)cc3F)CC2)cc1 ZINC000822766960 607474558 /nfs/dbraw/zinc/47/45/58/607474558.db2.gz QWUUJEWAJGIQPO-UHFFFAOYSA-N 1 0 384.434 2.899 20 0 GFADRO O[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)c1ccccc1C(F)(F)F ZINC000823682197 607478309 /nfs/dbraw/zinc/47/83/09/607478309.db2.gz OEHOCJFBTMPREH-HNNXBMFYSA-N 1 0 381.333 2.848 20 0 GFADRO COCc1cccc(C[N@@H+]2CCCN(c3ccccc3-c3nn[nH]n3)CC2)c1 ZINC000826164606 607484745 /nfs/dbraw/zinc/48/47/45/607484745.db2.gz IPMZUUXCIBFSBA-UHFFFAOYSA-N 1 0 378.480 2.725 20 0 GFADRO CC[C@@H]1Oc2cc([C@H](C)[NH2+]Cc3ccc(-c4nn[nH]n4)cc3F)ccc2NC1=O ZINC000821000319 607485685 /nfs/dbraw/zinc/48/56/85/607485685.db2.gz CUZSIFYNZCVUBG-GTNSWQLSSA-N 1 0 396.426 2.966 20 0 GFADRO COc1ccc(CN2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)cc1-c1nn[nH]n1 ZINC000826194591 607501924 /nfs/dbraw/zinc/50/19/24/607501924.db2.gz QHDSPVSJEKAYIS-FUHWJXTLSA-N 1 0 384.528 2.962 20 0 GFADRO C[C@H]1C[C@H](N(C)Cc2ccnc(-c3nn[nH]n3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000824886392 607512664 /nfs/dbraw/zinc/51/26/64/607512664.db2.gz YDIDVDJOXMGNKF-QFBILLFUSA-N 1 0 377.496 2.747 20 0 GFADRO COc1ccc(-c2nn[nH]n2)cc1CN1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000826182921 607522687 /nfs/dbraw/zinc/52/26/87/607522687.db2.gz YGYMKTJUVOESBV-QGZVFWFLSA-N 1 0 384.528 2.819 20 0 GFADRO C[NH+](C)Cc1cccc(C(=O)N[C@@]2(C(=O)[O-])CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000830620565 601777664 /nfs/dbraw/zinc/77/76/64/601777664.db2.gz WJLHZZKWUGODTN-QHCPKHFHSA-N 1 0 395.503 2.597 20 0 GFADRO O=C([O-])N1CCC(CC[NH2+]CC2CC[NH+](C[C@@H](O)c3ccccc3)CC2)CC1 ZINC000740498416 602694645 /nfs/dbraw/zinc/69/46/45/602694645.db2.gz BHBLIPDSHGQJQU-OAQYLSRUSA-N 1 0 389.540 2.802 20 0 GFADRO C[C@H]([NH2+]Cc1ccc(NC(=O)[O-])nc1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000825501096 603548887 /nfs/dbraw/zinc/54/88/87/603548887.db2.gz BPSLSQBXFPEEJC-AWEZNQCLSA-N 1 0 387.459 2.913 20 0 GFADRO CCC(C)(C)c1ccc(C[NH2+]C[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)cc1 ZINC000825043154 607751842 /nfs/dbraw/zinc/75/18/42/607751842.db2.gz FIBDXXJUQKNPNP-HNNXBMFYSA-N 1 0 380.500 2.582 20 0 GFADRO CC1CC[NH+](C2CCC(NC(=O)Cc3cccc(-c4nn[nH]n4)c3)CC2)CC1 ZINC000824953607 607771201 /nfs/dbraw/zinc/77/12/01/607771201.db2.gz GLFNLCPLXOFSQX-UHFFFAOYSA-N 1 0 382.512 2.569 20 0 GFADRO C[C@@H]1[C@@H](Cc2ccccc2)CC[N@@H+]1CC(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000820643242 606112796 /nfs/dbraw/zinc/11/27/96/606112796.db2.gz SLUCXBUKNWNJNM-NVXWUHKLSA-N 1 0 376.464 2.758 20 0 GFADRO CC[NH+](CC)[C@@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)c1ccccc1Cl ZINC000821181397 606246522 /nfs/dbraw/zinc/24/65/22/606246522.db2.gz MQEHFGNEPBOASS-INIZCTEOSA-N 1 0 387.875 2.661 20 0 GFADRO C[NH+]1CCC(NC(=O)c2ccc(Sc3ccccc3-c3nn[nH]n3)cc2)CC1 ZINC000821622208 606248411 /nfs/dbraw/zinc/24/84/11/606248411.db2.gz WJKHRTZYSGUVHA-UHFFFAOYSA-N 1 0 394.504 2.842 20 0 GFADRO C[C@@H]([NH2+]CCS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)c1cccc(Cl)c1 ZINC000820427585 606307598 /nfs/dbraw/zinc/30/75/98/606307598.db2.gz UAYMLAARIGNILY-GFCCVEGCSA-N 1 0 391.884 2.645 20 0 GFADRO CCCCO[C@@H]1C[C@H]([NH2+][C@H]2CCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)C1(C)C ZINC000821072664 606372078 /nfs/dbraw/zinc/37/20/78/606372078.db2.gz VMVKXFCHFIFJBF-OKZBNKHCSA-N 1 0 398.511 2.545 20 0 GFADRO Clc1ccc(-c2noc(CC[NH2+]Cc3ccc(-c4nn[nH]n4)s3)n2)cc1 ZINC000822574823 606418742 /nfs/dbraw/zinc/41/87/42/606418742.db2.gz ZXLWSKIZVXENSV-UHFFFAOYSA-N 1 0 387.856 2.964 20 0 GFADRO Fc1cccc(F)c1CN1CCC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC000822792533 606419045 /nfs/dbraw/zinc/41/90/45/606419045.db2.gz ZXKZUPMTDDMOLW-GFCCVEGCSA-N 1 0 390.463 2.961 20 0 GFADRO Cc1nnc(N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c(-c2nn[nH]n2)c1C ZINC000822515902 606471217 /nfs/dbraw/zinc/47/12/17/606471217.db2.gz RFJZWJVJGNYCCV-DYVFJYSZSA-N 1 0 378.484 2.596 20 0 GFADRO FC(F)Oc1cc(-c2nn[nH]n2)ccc1C[N@@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000822731269 606484728 /nfs/dbraw/zinc/48/47/28/606484728.db2.gz BFKYFIKGQIVKPZ-LBPRGKRZSA-N 1 0 375.383 2.571 20 0 GFADRO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@H]1N2C(=O)Cc1cccc(-c2nn[nH]n2)c1 ZINC000822274981 606498899 /nfs/dbraw/zinc/49/88/99/606498899.db2.gz MKPNSQGAXXQIEP-AZUAARDMSA-N 1 0 388.475 2.552 20 0 GFADRO C[N@H+](CC1CC1)C[C@@H]1CCN(Cc2ccc(-c3nn[nH]n3)cc2OC(F)F)C1 ZINC000821596572 606505645 /nfs/dbraw/zinc/50/56/45/606505645.db2.gz OIXKWIRUMZFIMK-AWEZNQCLSA-N 1 0 392.454 2.632 20 0 GFADRO C[C@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)c1cc(-c2nn[nH]n2)cs1 ZINC000820722813 606545956 /nfs/dbraw/zinc/54/59/56/606545956.db2.gz PEKUZEOQZJVOAU-AWEZNQCLSA-N 1 0 382.493 2.665 20 0 GFADRO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)c1cc(-c2nn[nH]n2)cs1 ZINC000821189543 606551047 /nfs/dbraw/zinc/55/10/47/606551047.db2.gz OLWOQDYHXBPDBH-UHFFFAOYSA-N 1 0 390.435 2.665 20 0 GFADRO O=C(Cc1cccc(-c2nn[nH]n2)c1)NC[C@@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000823098203 606557478 /nfs/dbraw/zinc/55/74/78/606557478.db2.gz LIJFEAREXXDZAW-IBGZPJMESA-N 1 0 382.512 2.570 20 0 GFADRO CN(C(=O)Cc1cccc(-c2nn[nH]n2)c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000821570648 606561772 /nfs/dbraw/zinc/56/17/72/606561772.db2.gz FIPFGSZTFXLEIM-UHFFFAOYSA-N 1 0 390.491 2.532 20 0 GFADRO C[N@@H+]1CCC[C@H](CNC(=O)Cc2cccc(-c3nn[nH]n3)c2)[C@@H]1c1cccs1 ZINC000821623500 606572839 /nfs/dbraw/zinc/57/28/39/606572839.db2.gz MDKCTKZWLKPFTB-VQIMIIECSA-N 1 0 396.520 2.670 20 0 GFADRO C[C@@H]([NH2+][C@@H]1CCN(c2cccc(Cl)c2)C1=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000820418567 606624035 /nfs/dbraw/zinc/62/40/35/606624035.db2.gz BJEWTHXXUMJIRH-SJKOYZFVSA-N 1 0 382.855 2.976 20 0 GFADRO CC(C)CN(CC[NH+](C)C)C(=O)Nc1cc(-c2nn[nH]n2)ccc1OC(C)C ZINC000820087712 606641579 /nfs/dbraw/zinc/64/15/79/606641579.db2.gz XXFYOAYLEDOTSI-UHFFFAOYSA-N 1 0 389.504 2.705 20 0 GFADRO C[C@@H]1CCC[C@@H](C)C1NC(=O)N(CC[NH+](C)C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000820690508 606658737 /nfs/dbraw/zinc/65/87/37/606658737.db2.gz NBYXMJIZURBAOR-HZPDHXFCSA-N 1 0 399.543 2.765 20 0 GFADRO Brc1cccc(N2CC[C@@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)c1 ZINC000819688989 606720622 /nfs/dbraw/zinc/72/06/22/606720622.db2.gz RXZNWTVZXMLTCW-MRXNPFEDSA-N 1 0 399.296 2.998 20 0 GFADRO CCN1C[C@@H](C)[C@@H]([NH2+]Cc2cccc(OCc3ccccc3-c3nn[nH]n3)c2)C1 ZINC000821242583 606733629 /nfs/dbraw/zinc/73/36/29/606733629.db2.gz VJONUUVCLNTENP-IERDGZPVSA-N 1 0 392.507 2.876 20 0 GFADRO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000820759496 606749865 /nfs/dbraw/zinc/74/98/65/606749865.db2.gz LFCGCSZDRMWVNJ-HZPDHXFCSA-N 1 0 390.491 2.753 20 0 GFADRO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)c1cc(-c2nn[nH]n2)cs1 ZINC000820758864 606750336 /nfs/dbraw/zinc/75/03/36/606750336.db2.gz DYJPEHDLHOJSTM-UOIKSKOESA-N 1 0 396.520 2.815 20 0 GFADRO CC(C)(C)[N@H+](CC(=O)NCc1ccc(-c2nn[nH]n2)cc1)Cc1ccccc1 ZINC000819914531 606786314 /nfs/dbraw/zinc/78/63/14/606786314.db2.gz VQDUDYMZYRIAER-UHFFFAOYSA-N 1 0 378.480 2.784 20 0 GFADRO Cc1cc(-c2nn[nH]n2)ccc1Oc1ccc(C(=O)NC[C@H]2CCC[N@H+]2C)cc1 ZINC000822143333 606792835 /nfs/dbraw/zinc/79/28/35/606792835.db2.gz BJDLBOBSTLJPAX-QGZVFWFLSA-N 1 0 392.463 2.791 20 0 GFADRO C[N@H+](Cc1cn2ccccc2c1-c1nn[nH]n1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000821615838 606796776 /nfs/dbraw/zinc/79/67/76/606796776.db2.gz QDGMOCKVCMSRBX-IBGZPJMESA-N 1 0 387.491 2.826 20 0 GFADRO CC[C@H]1CCC[C@@H]1NC(=O)N(CC[NH+](C)C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000820973395 606837586 /nfs/dbraw/zinc/83/75/86/606837586.db2.gz WTNIPOWLOSRZOJ-WMZOPIPTSA-N 1 0 385.516 2.519 20 0 GFADRO Cc1nc([C@@H]2CCC[N@H+](C[C@H](O)c3ccc(-c4nn[nH]n4)cc3)C2)sc1C ZINC000822436827 606859854 /nfs/dbraw/zinc/85/98/54/606859854.db2.gz ROOBREHEZQBNAC-SJORKVTESA-N 1 0 384.509 2.853 20 0 GFADRO Oc1ccc(CCC2CC[NH+](C[C@@H](O)c3ccc(-c4nn[nH]n4)cc3)CC2)cc1 ZINC000823727106 606886468 /nfs/dbraw/zinc/88/64/68/606886468.db2.gz OHELPHCPSZIZAJ-OAQYLSRUSA-N 1 0 393.491 2.951 20 0 GFADRO Cc1ccc([C@@H]2CSCC[N@@H+]2C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000822233895 606899425 /nfs/dbraw/zinc/89/94/25/606899425.db2.gz XLDMCZCHBPAOQE-RBUKOAKNSA-N 1 0 381.505 2.999 20 0 GFADRO Cc1ccccc1[C@@H]1C[N@H+](C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)[C@@H](C)CO1 ZINC000822351752 606903617 /nfs/dbraw/zinc/90/36/17/606903617.db2.gz PWMNTOFYQLSXGY-BEVDRBHNSA-N 1 0 379.464 2.671 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)Nc2ccc(F)cc2-c2nn[nH]n2)C[N@@H+]1Cc1ccccc1 ZINC000820656592 606907610 /nfs/dbraw/zinc/90/76/10/606907610.db2.gz GRZYQPFUNHISDM-CJNGLKHVSA-N 1 0 395.442 2.790 20 0 GFADRO CN(Cc1ccccc1)[C@@H]1CC[N@H+](CCCOc2cccc(-c3nn[nH]n3)c2)C1 ZINC000821614524 606909213 /nfs/dbraw/zinc/90/92/13/606909213.db2.gz JQHHAPFBVIUSPC-HXUWFJFHSA-N 1 0 392.507 2.842 20 0 GFADRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(CCCOc2cccc(-c3nn[nH]n3)c2)C1 ZINC000820686772 606924858 /nfs/dbraw/zinc/92/48/58/606924858.db2.gz ZWPDKKZWGWBVDG-ZIFCJYIRSA-N 1 0 384.528 2.973 20 0 GFADRO CCc1nnc(NC2CC[NH+](CC3CCCC3)CC2)c(-c2nn[nH]n2)c1CC ZINC000821529269 606925616 /nfs/dbraw/zinc/92/56/16/606925616.db2.gz VZWUIQRFHUGIPZ-UHFFFAOYSA-N 1 0 384.532 2.848 20 0 GFADRO C[N@H+](Cc1ccc(F)c(-c2nn[nH]n2)c1)CC(C)(C)CNC(=O)OC(C)(C)C ZINC000821611065 606978593 /nfs/dbraw/zinc/97/85/93/606978593.db2.gz PINFGRONMUGZBX-UHFFFAOYSA-N 1 0 392.479 2.989 20 0 GFADRO NC(=O)[C@@H]([NH2+]CCc1ccc(-c2ccccc2)cc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000822850834 606987786 /nfs/dbraw/zinc/98/77/86/606987786.db2.gz RNFDDDKWHUGAKG-NRFANRHFSA-N 1 0 398.470 2.892 20 0 GFADRO CCCC1(CNC(=O)N(CC[NH+](C)C)Cc2ccc(-c3nn[nH]n3)cc2)CCC1 ZINC000821033401 606988513 /nfs/dbraw/zinc/98/85/13/606988513.db2.gz AIHPGKGVVLUZKJ-UHFFFAOYSA-N 1 0 399.543 2.910 20 0 GFADRO O=C(OCc1ccc(F)c(-c2nn[nH]n2)c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000823421928 607000922 /nfs/dbraw/zinc/00/09/22/607000922.db2.gz KDVZIGITSKETFK-UHFFFAOYSA-N 1 0 395.438 2.961 20 0 GFADRO Cc1cc(F)cc2c1ncc(-c1nn[nH]n1)c2N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000822204064 607031236 /nfs/dbraw/zinc/03/12/36/607031236.db2.gz BXUCJQGGFDMVGB-SUMWQHHRSA-N 1 0 381.459 2.783 20 0 GFADRO COCC[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)Cc1cccc2nsnc21 ZINC000821690578 607068569 /nfs/dbraw/zinc/06/85/69/607068569.db2.gz QUZNJQHNWZZMQX-UHFFFAOYSA-N 1 0 381.465 2.520 20 0 GFADRO O=C(NC[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2-c2nn[nH]n2)C1)c1ccccc1 ZINC000823175255 607072974 /nfs/dbraw/zinc/07/29/74/607072974.db2.gz DBILDNLBPWEEIV-HNNXBMFYSA-N 1 0 394.454 2.648 20 0 GFADRO COc1cc(-c2nn[nH]n2)ccc1OCC[N@@H+]1CCC[C@@H]1c1cccc(C)n1 ZINC000821702345 607074485 /nfs/dbraw/zinc/07/44/85/607074485.db2.gz QHWOETCWKQERFQ-QGZVFWFLSA-N 1 0 380.452 2.795 20 0 GFADRO Cc1ccc2oc(N(CC[NH+](C)C)Cc3ccc(-c4nn[nH]n4)cc3)nc2c1 ZINC000822284718 607114807 /nfs/dbraw/zinc/11/48/07/607114807.db2.gz XNDYAGHFUNJRMX-UHFFFAOYSA-N 1 0 377.452 2.885 20 0 GFADRO CCc1cc(C)c(C(=O)N(CC[NH+](C)C)Cc2cccc(-c3nn[nH]n3)c2)o1 ZINC000821471131 607192622 /nfs/dbraw/zinc/19/26/22/607192622.db2.gz VRKYDHHKKSHVKN-UHFFFAOYSA-N 1 0 382.468 2.535 20 0 GFADRO C[NH+](C)CCN(Cc1ccco1)C(=O)Nc1ccc(-c2nn[nH]n2)cc1Cl ZINC000821585994 607195842 /nfs/dbraw/zinc/19/58/42/607195842.db2.gz FHSPNBOHWOKSFH-UHFFFAOYSA-N 1 0 389.847 2.709 20 0 GFADRO CC(C)(C)[NH+]1CCC(NC(=O)Nc2ccc(-c3nn[nH]n3)cc2Cl)CC1 ZINC000819914227 607197975 /nfs/dbraw/zinc/19/79/75/607197975.db2.gz OTVXCPKYGKGSKF-UHFFFAOYSA-N 1 0 377.880 2.905 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccc(-c3nn[nH]n3)cc2Cl)C[C@@H]1C ZINC000821253975 607203429 /nfs/dbraw/zinc/20/34/29/607203429.db2.gz JXDBYTGQIAZLRR-AAEUAGOBSA-N 1 0 377.880 2.857 20 0 GFADRO CCC[NH+]1CCC(N(C)C(=O)Nc2ccc(-c3nn[nH]n3)cc2Cl)CC1 ZINC000821109203 607204301 /nfs/dbraw/zinc/20/43/01/607204301.db2.gz CLBMXSIJZFVORU-UHFFFAOYSA-N 1 0 377.880 2.858 20 0 GFADRO C[C@H]([NH2+][C@@H](CN1CCCC1=O)c1ccccc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000820413725 607208659 /nfs/dbraw/zinc/20/86/59/607208659.db2.gz UVOHUDKAJCKZEW-KXBFYZLASA-N 1 0 376.464 2.881 20 0 GFADRO CN(C(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccccc1-c1nn[nH]n1 ZINC000825812830 607787108 /nfs/dbraw/zinc/78/71/08/607787108.db2.gz VLDGMJVIVSJSSZ-KRWDZBQOSA-N 1 0 376.464 2.742 20 0 GFADRO c1ccc2c(c1)CC[C@@]21C[N@H+](CCCOc2ccc(-c3nn[nH]n3)cc2)CCO1 ZINC000826523112 607802945 /nfs/dbraw/zinc/80/29/45/607802945.db2.gz BAISCFNGBCWCDX-JOCHJYFZSA-N 1 0 391.475 2.810 20 0 GFADRO CCCCC[C@@H]1CCC[N@@H+]1CCS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000825268634 607829839 /nfs/dbraw/zinc/82/98/39/607829839.db2.gz WVSQNHRTZJXEHO-MRXNPFEDSA-N 1 0 377.514 2.685 20 0 GFADRO CC[C@@H]([NH2+]Cc1ccc(-c2nn[nH]n2)cc1)[C@@H](c1ccc(C)cc1)n1cncn1 ZINC000825142591 607911359 /nfs/dbraw/zinc/91/13/59/607911359.db2.gz SPWFLFAQZMVNHA-WOJBJXKFSA-N 1 0 388.479 2.924 20 0 GFADRO O=C([C@@H]1CCCC[N@@H+]1Cc1ccccc1)N1CCc2ccc(-c3nn[nH]n3)cc21 ZINC000826398652 607946567 /nfs/dbraw/zinc/94/65/67/607946567.db2.gz BDYRRSFCQYXCSB-IBGZPJMESA-N 1 0 388.475 2.811 20 0 GFADRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)c1c(Cl)cc(-c2nn[nH]n2)cc1Cl ZINC000826431955 607964212 /nfs/dbraw/zinc/96/42/12/607964212.db2.gz OOOKBOQCBVMCKH-QWHCGFSZSA-N 1 0 381.267 2.530 20 0 GFADRO O=C(CC[NH+]1CC(Cc2ccc(F)cc2)C1)Nc1cccc(-c2nn[nH]n2)c1 ZINC000826406732 608037390 /nfs/dbraw/zinc/03/73/90/608037390.db2.gz KGYAYNHSSCSECY-UHFFFAOYSA-N 1 0 380.427 2.509 20 0 GFADRO C[C@H]([NH2+]C[C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824576448 608132115 /nfs/dbraw/zinc/13/21/15/608132115.db2.gz AMCFHXBYYJFHES-STQMWFEESA-N 1 0 390.463 2.913 20 0 GFADRO CC(C)(O)C[N@@H+]1CCc2c(cccc2NCc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC000824172666 608134195 /nfs/dbraw/zinc/13/41/95/608134195.db2.gz NJMFIIDTBVGJKN-UHFFFAOYSA-N 1 0 396.470 2.747 20 0 GFADRO O=C(N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)c1cccc(-c2nn[nH]n2)c1 ZINC000826430072 608134872 /nfs/dbraw/zinc/13/48/72/608134872.db2.gz SREAMRWRYSEBKR-SLFFLAALSA-N 1 0 388.475 2.507 20 0 GFADRO CC[N@H+](Cc1ccc(OC)cc1)[C@H](C)C(=O)Nc1ccccc1-c1nn[nH]n1 ZINC000825435320 608153081 /nfs/dbraw/zinc/15/30/81/608153081.db2.gz UCEFVMCELHHHMQ-CQSZACIVSA-N 1 0 380.452 2.724 20 0 GFADRO CC[N@H+](CCc1ccccc1)[C@@H]1CCN(c2sccc2-c2nn[nH]n2)C1=O ZINC000825424425 608153242 /nfs/dbraw/zinc/15/32/42/608153242.db2.gz GSJRZZUIZHZHRZ-MRXNPFEDSA-N 1 0 382.493 2.598 20 0 GFADRO Cc1cccc(C2=CC[N@H+](C[C@@H](O)COc3ccc(-c4nn[nH]n4)cc3)CC2)c1 ZINC000826297893 608209462 /nfs/dbraw/zinc/20/94/62/608209462.db2.gz WFTCCRGODBOURV-HXUWFJFHSA-N 1 0 391.475 2.704 20 0 GFADRO C[C@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000824976051 608266467 /nfs/dbraw/zinc/26/64/67/608266467.db2.gz MFMAVQVQFQROOC-HOTGVXAUSA-N 1 0 391.479 2.993 20 0 GFADRO C[C@H](CCc1ccc2c(c1)OCO2)[NH2+]CCOc1ccc(-c2nn[nH]n2)cc1 ZINC000824406493 608279632 /nfs/dbraw/zinc/27/96/32/608279632.db2.gz LNUUFKHEKVTBIA-CQSZACIVSA-N 1 0 381.436 2.585 20 0 GFADRO Cc1cc[nH+]c(NC[C@@H]2CCN(c3nc4c(cc3-c3nn[nH]n3)CCCC4)C2)c1 ZINC000826313965 608280756 /nfs/dbraw/zinc/28/07/56/608280756.db2.gz ZUNBWGKCOPVZHU-HNNXBMFYSA-N 1 0 390.495 2.782 20 0 GFADRO COc1ccc([C@H](C)[NH2+]CCOc2ccc(-c3nn[nH]n3)cc2)cc1NC(C)=O ZINC000826188227 608281855 /nfs/dbraw/zinc/28/18/55/608281855.db2.gz QUTDIRCURZFKNE-ZDUSSCGKSA-N 1 0 396.451 2.563 20 0 GFADRO COc1ccc(C[NH2+][C@@H](C)C[C@H](C)NC(=O)OC(C)(C)C)cc1-c1nn[nH]n1 ZINC000826201860 608286485 /nfs/dbraw/zinc/28/64/85/608286485.db2.gz GTUJEJTWOYTITE-STQMWFEESA-N 1 0 390.488 2.657 20 0 GFADRO COc1ccc(C[NH2+][C@@H](C)CC(=O)Nc2cccc(C)c2C)cc1-c1nn[nH]n1 ZINC000826201889 608286572 /nfs/dbraw/zinc/28/65/72/608286572.db2.gz HRPWRMFWLVXURZ-AWEZNQCLSA-N 1 0 394.479 2.999 20 0 GFADRO COc1ccc(C[NH2+][C@@H](C)CC(=O)Nc2cccc(C)c2)cc1-c1nn[nH]n1 ZINC000826201770 608286577 /nfs/dbraw/zinc/28/65/77/608286577.db2.gz DHDLZYXTDDBGTC-AWEZNQCLSA-N 1 0 380.452 2.691 20 0 GFADRO CCOC[C@@H]1CCC[N@H+](Cc2c(-c3nn[nH]n3)c(C)nn2-c2ccccc2)C1 ZINC000825589685 608311498 /nfs/dbraw/zinc/31/14/98/608311498.db2.gz ITAGYXPMGXEBRF-MRXNPFEDSA-N 1 0 381.484 2.609 20 0 GFADRO COc1ccc(OC2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3OC)CC2)cc1 ZINC000826210684 608355900 /nfs/dbraw/zinc/35/59/00/608355900.db2.gz AFNNTEXTDAKDCP-UHFFFAOYSA-N 1 0 395.463 2.927 20 0 GFADRO COc1cc(-c2nn[nH]n2)ccc1CN(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000826167700 608366778 /nfs/dbraw/zinc/36/67/78/608366778.db2.gz NTSDSHGHQVNYJL-SFHVURJKSA-N 1 0 392.507 2.829 20 0 GFADRO COc1cc(-c2nn[nH]n2)ccc1C[N@H+](CCc1ccccc1)[C@@H]1CCOC1 ZINC000826168072 608368501 /nfs/dbraw/zinc/36/85/01/608368501.db2.gz BAQCYLHVHHOIAI-LJQANCHMSA-N 1 0 379.464 2.709 20 0 GFADRO C[N@H+](Cc1cccc(-c2nn[nH]n2)c1)[C@@H](CO)c1cccc(Br)c1 ZINC000825977027 608381031 /nfs/dbraw/zinc/38/10/31/608381031.db2.gz WBXGVRCHEPCWCY-INIZCTEOSA-N 1 0 388.269 2.795 20 0 GFADRO C[N@H+](Cc1cccc(-c2nn[nH]n2)c1F)CC(C)(C)CNC(=O)OC(C)(C)C ZINC000825977003 608399137 /nfs/dbraw/zinc/39/91/37/608399137.db2.gz VJFPEMLLFYECRF-UHFFFAOYSA-N 1 0 392.479 2.989 20 0 GFADRO C[C@H]([NH2+]CCCOc1ccc(-c2nn[nH]n2)cc1)c1ccc2c(c1)OCCO2 ZINC000824592320 608425660 /nfs/dbraw/zinc/42/56/60/608425660.db2.gz LTNCEIHJBAWZCR-AWEZNQCLSA-N 1 0 381.436 2.758 20 0 GFADRO CC(C)Oc1ccc([C@H](C)[NH2+]CC(=O)NCc2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000824324121 608437751 /nfs/dbraw/zinc/43/77/51/608437751.db2.gz HEYPHVKACOGQTF-HNNXBMFYSA-N 1 0 394.479 2.621 20 0 GFADRO CC(C)Oc1ccccc1[C@@H](C)[NH2+]CC(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000824334220 608452971 /nfs/dbraw/zinc/45/29/71/608452971.db2.gz SADNGZYWYNRNMQ-CQSZACIVSA-N 1 0 380.452 2.943 20 0 GFADRO CC(C)Oc1cccc([C@H](C)[NH2+]CC(=O)NCc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000824333825 608454125 /nfs/dbraw/zinc/45/41/25/608454125.db2.gz NLWSJZCGQZURJI-HNNXBMFYSA-N 1 0 394.479 2.621 20 0 GFADRO CC(C)Oc1cccc([C@@H](C)[NH2+]C[C@@H](O)COc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000824333210 608454388 /nfs/dbraw/zinc/45/43/88/608454388.db2.gz GPFFTVDPUPYUAL-CRAIPNDOSA-N 1 0 397.479 2.744 20 0 GFADRO C[C@@H]1CN(C(C)(C)C[NH2+][C@@H]2CCCc3cc(-c4nn[nH]n4)ccc32)C[C@@H](C)O1 ZINC000824978796 608498529 /nfs/dbraw/zinc/49/85/29/608498529.db2.gz XNKQKPMEKFPBSN-SPYBWZPUSA-N 1 0 384.528 2.722 20 0 GFADRO O=C(c1ccoc1)N1CCC([NH2+][C@@H]2CCCc3cc(-c4nn[nH]n4)ccc32)CC1 ZINC000826474897 608501114 /nfs/dbraw/zinc/50/11/14/608501114.db2.gz KFKKUGMYLJFVMM-LJQANCHMSA-N 1 0 392.463 2.732 20 0 GFADRO Cc1ccc(C(=O)NCC[NH2+][C@@H]2CCCc3cc(-c4nn[nH]n4)ccc32)cc1 ZINC000826281955 608504172 /nfs/dbraw/zinc/50/41/72/608504172.db2.gz QWMYIPQLKBFBKI-LJQANCHMSA-N 1 0 376.464 2.572 20 0 GFADRO Cc1cccc(OC[C@@H](O)C[NH2+][C@H]2CCCc3cc(-c4nn[nH]n4)ccc32)c1 ZINC000826300155 608504236 /nfs/dbraw/zinc/50/42/36/608504236.db2.gz KTKZYOUHWPNJSF-PXNSSMCTSA-N 1 0 379.464 2.582 20 0 GFADRO c1cc2c(s1)CCN(CC[NH2+][C@H]1CCCc3cc(-c4nn[nH]n4)ccc31)C2 ZINC000826518103 608504839 /nfs/dbraw/zinc/50/48/39/608504839.db2.gz BSQBWPNWYOITOM-SFHVURJKSA-N 1 0 380.521 2.954 20 0 GFADRO O=C(NCC[NH2+][C@H]1CCCc2cc(-c3nn[nH]n3)ccc21)c1ccc(Cl)cc1 ZINC000826437396 608505680 /nfs/dbraw/zinc/50/56/80/608505680.db2.gz JPJFOHJMHMBGLI-SFHVURJKSA-N 1 0 396.882 2.917 20 0 GFADRO Cc1cc(C)cc([C@@H](C)[NH2+]CCS(=O)(=O)c2cccc(-c3nn[nH]n3)c2)c1 ZINC000826264624 608509549 /nfs/dbraw/zinc/50/95/49/608509549.db2.gz URZNTCVFCWLGKY-OAHLLOKOSA-N 1 0 385.493 2.608 20 0 GFADRO OCC1CC[NH+](Cc2cccc(OCc3ccccc3-c3nn[nH]n3)c2)CC1 ZINC000826508775 608515735 /nfs/dbraw/zinc/51/57/35/608515735.db2.gz BEHTXRGVCMYQBR-UHFFFAOYSA-N 1 0 379.464 2.650 20 0 GFADRO O=C(NCC[NH2+][C@H]1CCCc2cc(-c3nn[nH]n3)ccc21)c1c(F)cccc1F ZINC000826437661 608520541 /nfs/dbraw/zinc/52/05/41/608520541.db2.gz WJYQWUDBCUBJQN-KRWDZBQOSA-N 1 0 398.417 2.542 20 0 GFADRO C[C@H]([NH2+]CCC(=O)Nc1sccc1-c1nn[nH]n1)c1ccc(F)cc1F ZINC000826232218 608528267 /nfs/dbraw/zinc/52/82/67/608528267.db2.gz DPOQIVKGOKKKLG-VIFPVBQESA-N 1 0 378.408 2.886 20 0 GFADRO C[C@@H]([NH2+]C[C@H](O)COc1ccc(-c2nn[nH]n2)cc1)c1ccc(F)cc1Cl ZINC000824572410 608534774 /nfs/dbraw/zinc/53/47/74/608534774.db2.gz URHJEKPELNAPIG-RISCZKNCSA-N 1 0 391.834 2.750 20 0 GFADRO Cc1ccc(-c2nn[nH]n2)nc1NCc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000826280521 608543020 /nfs/dbraw/zinc/54/30/20/608543020.db2.gz FIEBSOCEYKIVAE-HZPDHXFCSA-N 1 0 393.495 2.791 20 0 GFADRO COC(=O)C(C)(C)[C@@H]([NH2+]Cc1cc(-c2nn[nH]n2)ccc1OC)c1ccccc1 ZINC000826098778 608555139 /nfs/dbraw/zinc/55/51/39/608555139.db2.gz OENJNNHJEOTHKO-SFHVURJKSA-N 1 0 395.463 2.905 20 0 GFADRO COc1cc(-c2nn[nH]n2)ccc1OCC[NH2+][C@@H](C)c1cccc(F)c1F ZINC000826176242 608561218 /nfs/dbraw/zinc/56/12/18/608561218.db2.gz HNUQIEZJPHHFNO-NSHDSACASA-N 1 0 375.379 2.883 20 0 GFADRO COc1cccc(C[NH2+]C2CCC(Oc3ccc(-c4nn[nH]n4)cn3)CC2)c1 ZINC000826216067 608570061 /nfs/dbraw/zinc/57/00/61/608570061.db2.gz JBNKARLIBZMBDS-UHFFFAOYSA-N 1 0 380.452 2.750 20 0 GFADRO Cn1cnc2cc(C[NH+]3CCC(Oc4ccc(-c5nn[nH]n5)cc4)CC3)ccc21 ZINC000826365236 608583098 /nfs/dbraw/zinc/58/30/98/608583098.db2.gz GHPAMDFPFXKPRV-UHFFFAOYSA-N 1 0 389.463 2.797 20 0 GFADRO c1ccc(-c2nn[nH]n2)c(COc2cccc(CN3CC[N@@H+]4CCC[C@@H]4C3)c2)c1 ZINC000826516091 608692917 /nfs/dbraw/zinc/69/29/17/608692917.db2.gz WNVMKPJVWVBAPZ-LJQANCHMSA-N 1 0 390.491 2.726 20 0 GFADRO C[NH+](C)C[C@@H]1CCN(Cc2cccc(OCc3cccc(-c4nn[nH]n4)c3)c2)C1 ZINC000825860883 608697420 /nfs/dbraw/zinc/69/74/20/608697420.db2.gz ZXZZEUUDVIVNKP-IBGZPJMESA-N 1 0 392.507 2.829 20 0 GFADRO OCC[C@H]1CC[N@H+](Cc2cccc(OCc3ccccc3-c3nn[nH]n3)c2)C1 ZINC000826509561 608706204 /nfs/dbraw/zinc/70/62/04/608706204.db2.gz YVCHQPGFELLRDA-MRXNPFEDSA-N 1 0 379.464 2.650 20 0 GFADRO c1ccc(-c2nn[nH]n2)c(COc2cccc(CN3C[C@@H]4CCC[NH2+][C@@H]4C3)c2)c1 ZINC000826516141 608710302 /nfs/dbraw/zinc/71/03/02/608710302.db2.gz YIVVWMJGIXZEOH-LAUBAEHRSA-N 1 0 390.491 2.630 20 0 GFADRO COCC[N@H+](CCCc1ccccc1OC)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000826158721 609137740 /nfs/dbraw/zinc/13/77/40/609137740.db2.gz ZUNZVCBTIZTUSE-UHFFFAOYSA-N 1 0 381.480 2.957 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCCN(c2ccccc2)C1=O)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824547405 609142201 /nfs/dbraw/zinc/14/22/01/609142201.db2.gz NXMMDJYDVQFVRA-SCLBCKFNSA-N 1 0 380.427 2.852 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824545993 609142359 /nfs/dbraw/zinc/14/23/59/609142359.db2.gz FZKHCEMKIHMNSR-WCQYABFASA-N 1 0 376.436 2.666 20 0 GFADRO C[C@H]([NH2+]Cc1ccnc(OC2CCOCC2)c1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824627321 609142879 /nfs/dbraw/zinc/14/28/79/609142879.db2.gz WYFIJAZEFMKCGK-ZDUSSCGKSA-N 1 0 398.442 2.809 20 0 GFADRO C[C@@H]([NH2+]CCCC(=O)N1Cc2ccccc2C1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824585255 609150746 /nfs/dbraw/zinc/15/07/46/609150746.db2.gz OPLBYENVQCKXSB-CQSZACIVSA-N 1 0 394.454 2.979 20 0 GFADRO C[C@@H]([NH2+][C@@H]1CCCN(c2ccccc2F)C1=O)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824548754 609154303 /nfs/dbraw/zinc/15/43/03/609154303.db2.gz ZHGCFZKFNFEBIB-SJKOYZFVSA-N 1 0 398.417 2.991 20 0 GFADRO C[C@@H](Cc1cccs1)[NH2+][C@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000824457414 609168941 /nfs/dbraw/zinc/16/89/41/609168941.db2.gz LQEWQYUFQHTSFP-GUYCJALGSA-N 1 0 382.493 2.644 20 0 GFADRO CC(C)c1nnc2n1C[C@H]([NH2+][C@H]1CCCc3cc(-c4nn[nH]n4)ccc31)CC2 ZINC000824364500 609184852 /nfs/dbraw/zinc/18/48/52/609184852.db2.gz JBHXYOFKVDTDGI-WBVHZDCISA-N 1 0 378.484 2.564 20 0 GFADRO C[C@H]([NH2+][C@@]1(CO)CCCN(Cc2ccccc2)C1)c1cccc(-c2nn[nH]n2)c1 ZINC000824538338 609235216 /nfs/dbraw/zinc/23/52/16/609235216.db2.gz IAXFKGCQSGBIID-JTSKRJEESA-N 1 0 392.507 2.544 20 0 GFADRO C[C@H]([NH2+]Cc1ccccc1CN1CCOCC1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824627088 609323418 /nfs/dbraw/zinc/32/34/18/609323418.db2.gz UECXHBBJBBBSEC-HNNXBMFYSA-N 1 0 396.470 2.689 20 0 GFADRO Cn1cc(CNc2ccc(C[NH+](C)C)cc2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000825870218 609336988 /nfs/dbraw/zinc/33/69/88/609336988.db2.gz FCKXNGDKGSMHGN-UHFFFAOYSA-N 1 0 388.479 2.941 20 0 GFADRO C[C@@H]([NH2+]CCCNC(=O)c1ccc(F)cc1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824594227 609340900 /nfs/dbraw/zinc/34/09/00/609340900.db2.gz YLXTZXLQXGLAED-GFCCVEGCSA-N 1 0 386.406 2.616 20 0 GFADRO C[C@H]([NH2+]CCc1nnc(-c2ccccc2)o1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824605215 609344041 /nfs/dbraw/zinc/34/40/41/609344041.db2.gz GMNFZQLXQPOAPM-LBPRGKRZSA-N 1 0 379.399 2.949 20 0 GFADRO C[C@@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)cn1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824658422 609347244 /nfs/dbraw/zinc/34/72/44/609347244.db2.gz XAOZOFDFMLMDDV-CZUORRHYSA-N 1 0 396.474 2.714 20 0 GFADRO C[N@@H+]1CCC[C@H]1[C@@H]1CCCN1Cc1ccc(-c2nn[nH]n2)cc1Br ZINC000826033346 609362665 /nfs/dbraw/zinc/36/26/65/609362665.db2.gz ASJTUNYXNSEGRV-HOTGVXAUSA-N 1 0 391.317 2.688 20 0 GFADRO C[C@H]1CC[N@H+](CCC(=O)Nc2sc3c(c2-c2nn[nH]n2)CCCC3)C[C@H]1F ZINC000824954442 609373900 /nfs/dbraw/zinc/37/39/00/609373900.db2.gz JZJDBAKLMYCGHX-WCQYABFASA-N 1 0 392.504 2.816 20 0 GFADRO Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCCN(c3ccc(-c4nn[nH]n4)cc3)C1=O)CC2 ZINC000826294426 609415229 /nfs/dbraw/zinc/41/52/29/609415229.db2.gz QXWRIFWGMWAGKS-VQTJNVASSA-N 1 0 388.475 2.948 20 0 GFADRO Cc1nccn1-c1ccc([C@H](C)[NH2+]C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000826330797 609423918 /nfs/dbraw/zinc/42/39/18/609423918.db2.gz IOTWLBIEFCLELH-XOBRGWDASA-N 1 0 389.463 2.745 20 0 GFADRO C[C@H](CCNC(=O)Nc1cc(-c2nn[nH]n2)cn1C(C)(C)C)[NH+]1CCCCC1 ZINC000824401167 609496800 /nfs/dbraw/zinc/49/68/00/609496800.db2.gz NPYOWEIJJBUTQZ-CQSZACIVSA-N 1 0 388.520 2.809 20 0 GFADRO Cc1[nH+]c2ccccc2c(N2CCN(c3ncccc3-c3nn[nH]n3)CC2)c1C ZINC000826328824 609527840 /nfs/dbraw/zinc/52/78/40/609527840.db2.gz FFTYMUCHDRLPJM-UHFFFAOYSA-N 1 0 386.463 2.753 20 0 GFADRO CC(=O)N[C@@H]1CC[N@H+](C[C@@](C)(O)c2ccc(Br)cc2Cl)C1 ZINC000817281228 660188964 /nfs/dbraw/zinc/18/89/64/660188964.db2.gz RZVQYEGIEIPQRP-IUODEOHRSA-N 1 0 375.694 2.520 20 0 GFADRO CNC(=O)[C@@H]1CC[N@H+](Cn2ccc(-c3ccc(Br)cc3Cl)n2)C1 ZINC000817370586 660192079 /nfs/dbraw/zinc/19/20/79/660192079.db2.gz MCTHYOYKEWHLEL-LLVKDONJSA-N 1 0 397.704 2.991 20 0 GFADRO CC[NH+]1CCC(N2CCCN(C(=O)NC[C@@]3(C)CC3(Cl)Cl)CC2)CC1 ZINC000817785888 660208713 /nfs/dbraw/zinc/20/87/13/660208713.db2.gz OULXFZCWMVVOCV-QGZVFWFLSA-N 1 0 391.387 2.772 20 0 GFADRO [NH3+][C@@H]1CCCCC[C@H]1NCCOc1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000817916523 660211909 /nfs/dbraw/zinc/21/19/09/660211909.db2.gz GYGALLBORQVFSG-HUUCEWRRSA-N 1 0 380.432 2.609 20 0 GFADRO CC(C)(Sc1ccc(Br)cc1)C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000818012361 660213690 /nfs/dbraw/zinc/21/36/90/660213690.db2.gz MYGFHKBKMZZXNY-ZDUSSCGKSA-N 1 0 387.343 2.896 20 0 GFADRO CN(C[C@H](O)C[NH2+]Cc1cc(Br)ccc1F)C(=O)OC(C)(C)C ZINC000818164770 660218135 /nfs/dbraw/zinc/21/81/35/660218135.db2.gz BAQGCQIUEYLNDR-CYBMUJFWSA-N 1 0 391.281 2.906 20 0 GFADRO COc1ccccc1[C@H]([NH3+])CNC(=O)c1sc(N2CCCC2)nc1Cl ZINC000818558925 660228391 /nfs/dbraw/zinc/22/83/91/660228391.db2.gz USGJKMUAKQLCHL-GFCCVEGCSA-N 1 0 380.901 2.835 20 0 GFADRO CCN(CC)S(=O)(=O)c1ccc(C[NH2+]C[C@@H](O)c2ccccc2C)s1 ZINC000818945788 660236265 /nfs/dbraw/zinc/23/62/65/660236265.db2.gz OJQYGCYCHMKQNT-QGZVFWFLSA-N 1 0 382.551 2.910 20 0 GFADRO O[C@@H](C[NH2+]CCc1nnc2n1CCCCC2)c1ccccc1Br ZINC000818946569 660236565 /nfs/dbraw/zinc/23/65/65/660236565.db2.gz RMNSDCAKGHVISJ-HNNXBMFYSA-N 1 0 379.302 2.633 20 0 GFADRO C[C@@](O)(C[NH2+]CCCC(=O)NC1CC1)c1ccc(Br)cc1Cl ZINC000818961404 660237898 /nfs/dbraw/zinc/23/78/98/660237898.db2.gz QOBIKVQRLAMWRB-MRXNPFEDSA-N 1 0 389.721 2.958 20 0 GFADRO COc1cc(NC(=O)CC[NH2+]C[C@H](OC)C(F)(F)F)c(OC)cc1Cl ZINC000819067852 660245278 /nfs/dbraw/zinc/24/52/78/660245278.db2.gz JQOJOHVCIIKOKY-ZDUSSCGKSA-N 1 0 384.782 2.853 20 0 GFADRO C[C@](O)(C[NH2+]CCOC[C@H]1CCCO1)c1ccc(Br)cc1F ZINC000819073513 660245452 /nfs/dbraw/zinc/24/54/52/660245452.db2.gz NGQZSBJBCLNHRS-CJNGLKHVSA-N 1 0 376.266 2.581 20 0 GFADRO CC(C)(C)OC(=O)NCC[C@H](O)C[NH2+]Cc1ccc(Br)c(F)c1 ZINC000818984368 660241325 /nfs/dbraw/zinc/24/13/25/660241325.db2.gz FSYBEWWKGUNESW-LBPRGKRZSA-N 1 0 391.281 2.954 20 0 GFADRO COC(=O)N1CCC[C@H]([NH2+]C[C@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000819004126 660243143 /nfs/dbraw/zinc/24/31/43/660243143.db2.gz WCBMQDSOUGGWJL-STQMWFEESA-N 1 0 377.268 2.554 20 0 GFADRO C[C@](O)(C[NH2+]CCOC[C@@H]1CCOC1)c1ccc(Br)cc1Cl ZINC000819046251 660244378 /nfs/dbraw/zinc/24/43/78/660244378.db2.gz ONVXKOYEEOTZCT-WBMJQRKESA-N 1 0 392.721 2.953 20 0 GFADRO O=C1[C@H]([NH2+]C[C@@H](O)c2cccc(Br)c2)CCN1c1ccccc1 ZINC000819047758 660244549 /nfs/dbraw/zinc/24/45/49/660244549.db2.gz ZMEYQUGXYAALPA-IAGOWNOFSA-N 1 0 375.266 2.878 20 0 GFADRO O=C1[C@H]([NH2+]C[C@H](O)c2cccc(Br)c2)CCN1c1ccccc1 ZINC000819047760 660244553 /nfs/dbraw/zinc/24/45/53/660244553.db2.gz ZMEYQUGXYAALPA-SJORKVTESA-N 1 0 375.266 2.878 20 0 GFADRO COc1cc(NC(=O)CC[NH2+]CC[S@@](=O)C(C)(C)C)c(OC)cc1Cl ZINC000819054718 660244721 /nfs/dbraw/zinc/24/47/21/660244721.db2.gz AVNKMZXQWWLGEP-RUZDIDTESA-N 1 0 390.933 2.823 20 0 GFADRO O[C@@H](C[NH2+]C[C@H]1CCN(CC(F)(F)F)C1)c1cccc(Br)c1 ZINC000818972286 660239447 /nfs/dbraw/zinc/23/94/47/660239447.db2.gz INCFHWZNOQSDLL-RISCZKNCSA-N 1 0 381.236 2.956 20 0 GFADRO COCCOC[C@@H](C)[NH2+]C[C@](C)(O)c1ccc(Br)cc1Cl ZINC000819103219 660246590 /nfs/dbraw/zinc/24/65/90/660246590.db2.gz FEZWUKPHLOTNJQ-ABAIWWIYSA-N 1 0 380.710 2.951 20 0 GFADRO CS(=O)(=O)Cc1ccccc1C[NH2+]C[C@@H](O)c1cccc(Br)c1 ZINC000819134346 660247590 /nfs/dbraw/zinc/24/75/90/660247590.db2.gz FKPYSLZOLDTJNG-QGZVFWFLSA-N 1 0 398.322 2.817 20 0 GFADRO CS(=O)(=O)Cc1ccccc1C[NH2+]C[C@H](O)c1ccc(Br)cc1 ZINC000819134436 660247623 /nfs/dbraw/zinc/24/76/23/660247623.db2.gz HHWBITUCCYNNBN-KRWDZBQOSA-N 1 0 398.322 2.817 20 0 GFADRO CC(C)(C)OC(=O)N1CCC[C@@](O)(C[NH2+]C[C@H]2CSCCS2)CC1 ZINC000819142628 660247823 /nfs/dbraw/zinc/24/78/23/660247823.db2.gz SBNGPHFHKGRDEQ-YOEHRIQHSA-N 1 0 376.588 2.577 20 0 GFADRO O[C@H](C[NH2+][C@H]1CCN(c2ncccc2F)C1)c1cccc(Br)c1 ZINC000819150390 660247974 /nfs/dbraw/zinc/24/79/74/660247974.db2.gz RQGBFBOAOYWWDP-GOEBONIOSA-N 1 0 380.261 2.885 20 0 GFADRO COc1cc(C[NH2+]C[C@@H](O)Cc2ccc(F)cc2)cc(Br)c1O ZINC000819177138 660248708 /nfs/dbraw/zinc/24/87/08/660248708.db2.gz KUWLOAYYKUVOGD-AWEZNQCLSA-N 1 0 384.245 2.996 20 0 GFADRO O=S1(=O)CCCN1c1cccc(C[NH2+]C[C@H](O)c2ccc(Cl)cc2)c1 ZINC000819234143 660251185 /nfs/dbraw/zinc/25/11/85/660251185.db2.gz GTPCVZMCWUDYDW-SFHVURJKSA-N 1 0 380.897 2.703 20 0 GFADRO CN(C[C@@H](O)C[NH2+]CCc1cccc(Br)c1)C(=O)OC(C)(C)C ZINC000819360787 660256841 /nfs/dbraw/zinc/25/68/41/660256841.db2.gz LWCHUCQCKDUMCF-HNNXBMFYSA-N 1 0 387.318 2.809 20 0 GFADRO CC(C)(C)OC(=O)NCC[C@@H](O)C[NH2+]CCc1cccc(Br)c1 ZINC000819360811 660256864 /nfs/dbraw/zinc/25/68/64/660256864.db2.gz MNIONWVCTZTVMX-OAHLLOKOSA-N 1 0 387.318 2.857 20 0 GFADRO C[C@@H]([NH2+]C[C@H](O)CN(C)C(=O)OC(C)(C)C)c1ccc(Br)cn1 ZINC000819277992 660253332 /nfs/dbraw/zinc/25/33/32/660253332.db2.gz JTPRZWWIIQCMQT-YPMHNXCESA-N 1 0 388.306 2.723 20 0 GFADRO CC(C)(C)OC(=O)NC[C@](C)(O)C[NH2+]Cc1ccsc1Br ZINC000819294612 660253969 /nfs/dbraw/zinc/25/39/69/660253969.db2.gz ZZXRJSRBUXUAKG-CQSZACIVSA-N 1 0 379.320 2.876 20 0 GFADRO CCO[C@@H]1C[C@H]([NH2+]C[C@H](O)c2cccc(Br)c2)[C@H]1n1cccn1 ZINC000819332361 660255123 /nfs/dbraw/zinc/25/51/23/660255123.db2.gz BTRLJZWTNJHYFT-MWDXBVQZSA-N 1 0 380.286 2.687 20 0 GFADRO CS(=O)(=O)c1ccccc1C[NH2+]C[C@H](O)c1cccc(Br)c1 ZINC000819368677 660257121 /nfs/dbraw/zinc/25/71/21/660257121.db2.gz PWVUKEDUDUHCJX-HNNXBMFYSA-N 1 0 384.295 2.676 20 0 GFADRO CS(=O)(=O)c1cccc(C[NH2+]C[C@@H](O)c2ccc(Br)cc2)c1 ZINC000819347248 660255918 /nfs/dbraw/zinc/25/59/18/660255918.db2.gz GFIXXCDFXBVOAM-MRXNPFEDSA-N 1 0 384.295 2.676 20 0 GFADRO COC(=O)c1ccc(OC[C@@H](O)C[NH2+]CC[C@@]2(C)CC2(Cl)Cl)cc1 ZINC000819348474 660256175 /nfs/dbraw/zinc/25/61/75/660256175.db2.gz GMOOYRNMCQEAFF-BBRMVZONSA-N 1 0 376.280 2.777 20 0 GFADRO Cn1nccc1[C@@H]1C[C@@H]([NH2+]C[C@@H](O)c2ccc(F)c(Br)c2)CCO1 ZINC000819352692 660256415 /nfs/dbraw/zinc/25/64/15/660256415.db2.gz JHDSSEJDMGZNLE-VUCTXSBTSA-N 1 0 398.276 2.865 20 0 GFADRO COC1([C@@H](C)[NH2+]C[C@@](C)(O)c2ccc(Br)cc2F)CCOCC1 ZINC000819372353 660257351 /nfs/dbraw/zinc/25/73/51/660257351.db2.gz AALWDTYVWLUUTL-MLGOLLRUSA-N 1 0 390.293 2.969 20 0 GFADRO C[C@@H](CNC(=O)c1cc(Br)cnc1Br)C[NH+](C)C ZINC000820247360 660286281 /nfs/dbraw/zinc/28/62/81/660286281.db2.gz OAUYKRKXXKFLRK-QMMMGPOBSA-N 1 0 379.096 2.534 20 0 GFADRO Cn1c(C(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)cc2cc(Br)cnc21 ZINC000820341026 660290072 /nfs/dbraw/zinc/29/00/72/660290072.db2.gz AMHBJYOWORAYPT-QGZVFWFLSA-N 1 0 377.286 2.504 20 0 GFADRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)c3ncc(C(F)(F)F)cc3Cl)[C@H]2C1 ZINC000820592383 660298531 /nfs/dbraw/zinc/29/85/31/660298531.db2.gz CSJGUHFVNUWJBL-QWHCGFSZSA-N 1 0 377.794 2.689 20 0 GFADRO CC(C)[NH+](CCNS(=O)(=O)c1cnc(Cl)c(Br)c1)C(C)C ZINC000820781370 660305503 /nfs/dbraw/zinc/30/55/03/660305503.db2.gz RPIQKCMAKJTWJS-UHFFFAOYSA-N 1 0 398.754 2.895 20 0 GFADRO COc1ccccc1C[N@H+](CCn1cnc(Br)n1)C[C@H]1CCCO1 ZINC000821353731 660322763 /nfs/dbraw/zinc/32/27/63/660322763.db2.gz AGHMPTBTRJTXRV-OAHLLOKOSA-N 1 0 395.301 2.730 20 0 GFADRO Cc1nc(Br)ccc1NC(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000822338174 660343197 /nfs/dbraw/zinc/34/31/97/660343197.db2.gz XWWFRXMVQKDGBJ-ZDUSSCGKSA-N 1 0 385.306 2.727 20 0 GFADRO C[C@H](CNC(=O)c1csc(I)n1)[N@@H+]1CCC[C@@H](C)C1 ZINC000822059521 660339660 /nfs/dbraw/zinc/33/96/60/660339660.db2.gz SZUNJFOKVFRCJH-NXEZZACHSA-N 1 0 393.294 2.598 20 0 GFADRO CC[N@@H+]1CCCN(C(=O)c2cc(Br)c3nccnc3c2)[C@@H](C)C1 ZINC000822569892 660348058 /nfs/dbraw/zinc/34/80/58/660348058.db2.gz YLRXNBLOTXLYLS-LBPRGKRZSA-N 1 0 377.286 2.949 20 0 GFADRO CO[C@@H](C)c1noc(CN2CCC[N@H+](CC[C@@H]3CC3(Cl)Cl)CC2)n1 ZINC000822667994 660351388 /nfs/dbraw/zinc/35/13/88/660351388.db2.gz DSFZBXNVKPCATD-QWHCGFSZSA-N 1 0 377.316 2.869 20 0 GFADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)/C=C\[C@@H]1CCOC1 ZINC000822840618 660355716 /nfs/dbraw/zinc/35/57/16/660355716.db2.gz LSQQNOCKUOUDNW-KQQSKNTNSA-N 1 0 381.314 2.932 20 0 GFADRO CC(C)(C)[NH+]1CCC(NC(=O)c2csc(I)n2)CC1 ZINC000822843171 660355791 /nfs/dbraw/zinc/35/57/91/660355791.db2.gz DHBPVWODJCQIBY-UHFFFAOYSA-N 1 0 393.294 2.740 20 0 GFADRO O=S(=O)(Cc1noc([C@@H]2CCC[NH2+]C2)n1)c1cc(Cl)ccc1Cl ZINC000822900442 660357192 /nfs/dbraw/zinc/35/71/92/660357192.db2.gz GJAMYISBVKBGTD-SECBINFHSA-N 1 0 376.265 2.817 20 0 GFADRO C[C@H](CNC(=O)[C@@]1(C)CC1(Br)Br)[NH+]1CCCCC1 ZINC000822952731 660358823 /nfs/dbraw/zinc/35/88/23/660358823.db2.gz ANSRPYXBDOYFAM-ZYHUDNBSSA-N 1 0 382.140 2.873 20 0 GFADRO COc1nc(-c2noc(C3C[C@H]4CCC[C@@H](C3)C4[NH3+])n2)ncc1Br ZINC000823015463 660359846 /nfs/dbraw/zinc/35/98/46/660359846.db2.gz FFJRBXFJNCBLMU-GJYTXDDASA-N 1 0 394.273 2.919 20 0 GFADRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC000823124120 660362523 /nfs/dbraw/zinc/36/25/23/660362523.db2.gz KJHRUXXCOYICLL-CJNGLKHVSA-N 1 0 375.296 2.596 20 0 GFADRO CCC[NH+]1CCC(N(C)C(=O)c2csc(I)n2)CC1 ZINC000823180974 660364178 /nfs/dbraw/zinc/36/41/78/660364178.db2.gz BJEQFYPVDXYFHO-UHFFFAOYSA-N 1 0 393.294 2.694 20 0 GFADRO COCC(C)(C)[NH+]1CCN(C[C@@H](O)c2ccc(F)c(Br)c2)CC1 ZINC000823457025 660372839 /nfs/dbraw/zinc/37/28/39/660372839.db2.gz WAAMIECWIVXWTD-MRXNPFEDSA-N 1 0 389.309 2.664 20 0 GFADRO CCc1ccc([C@H](CNC(=O)c2cc(Br)n(C)n2)[NH+](C)C)cc1 ZINC000823596554 660375978 /nfs/dbraw/zinc/37/59/78/660375978.db2.gz QITSCTVVWKLXRP-HNNXBMFYSA-N 1 0 379.302 2.778 20 0 GFADRO O=S(=O)(C(F)F)N1CCC(C[NH2+]Cc2cc3cc(Cl)cnc3o2)CC1 ZINC000823871632 660382242 /nfs/dbraw/zinc/38/22/42/660382242.db2.gz KIJLZEGVHZMKJA-UHFFFAOYSA-N 1 0 393.843 2.835 20 0 GFADRO O=C(NCC1CC[NH+](Cc2ccncc2)CC1)c1csc(Br)n1 ZINC000824447860 660392009 /nfs/dbraw/zinc/39/20/09/660392009.db2.gz UBXGPOIIIZGSLU-UHFFFAOYSA-N 1 0 395.326 2.943 20 0 GFADRO O=C1OCCN1C[C@H]1CC[N@@H+](CC2=Cc3cc(Br)ccc3OC2)C1 ZINC000824451358 660392249 /nfs/dbraw/zinc/39/22/49/660392249.db2.gz UQJJQAZIDAIQJI-ZDUSSCGKSA-N 1 0 393.281 2.999 20 0 GFADRO CCOC(=O)C(F)(F)[C@H]1CC[C@@H]([NH2+]C2CCC(CS(C)(=O)=O)CC2)C1 ZINC000824533842 660396252 /nfs/dbraw/zinc/39/62/52/660396252.db2.gz QDPXALCMBGNATR-OOJKYFRXSA-N 1 0 381.485 2.547 20 0 GFADRO C[N@H+](CCCNC(=O)c1c(Br)nc2n1CCC2)C1CCCCC1 ZINC000824615549 660398129 /nfs/dbraw/zinc/39/81/29/660398129.db2.gz IOLPGZLAUDCUMO-UHFFFAOYSA-N 1 0 383.334 2.976 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)C[C@H]1C(=O)Nc2c1cccc2Br ZINC000824659161 660399040 /nfs/dbraw/zinc/39/90/40/660399040.db2.gz ZJHDAKVPPHMQJJ-WCQYABFASA-N 1 0 394.313 2.864 20 0 GFADRO Cc1c2cc(C(=O)NC[C@@H]3C[N@@H+]4CCC[C@H]4CO3)[nH]c2ccc1Br ZINC000824733883 660400193 /nfs/dbraw/zinc/40/01/93/660400193.db2.gz SJBORABYPMFQHR-QWHCGFSZSA-N 1 0 392.297 2.832 20 0 GFADRO Cn1nc(C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1Br ZINC000824936380 660405731 /nfs/dbraw/zinc/40/57/31/660405731.db2.gz XUIDXHCPJCMHLE-AWEZNQCLSA-N 1 0 377.286 2.577 20 0 GFADRO CCn1nc(C)c(C[NH2+]C[C@H](CO)Cc2ccc(C)c(Br)c2)n1 ZINC000825073053 660409585 /nfs/dbraw/zinc/40/95/85/660409585.db2.gz QDAVAODJNYREAJ-OAHLLOKOSA-N 1 0 381.318 2.618 20 0 GFADRO C[NH+](C)CC1(C(=O)Nc2ccc(N3CC[C@H](CO)C3)c(Br)c2)CC1 ZINC000825298416 660419322 /nfs/dbraw/zinc/41/93/22/660419322.db2.gz QBMCUCQCBGCLMM-ZDUSSCGKSA-N 1 0 396.329 2.548 20 0 GFADRO C[C@]1(C(=O)N2CC[C@H]([NH+]3CCCC3)C2)CC1(Br)Br ZINC000825555559 660433039 /nfs/dbraw/zinc/43/30/39/660433039.db2.gz IQKRRHYMNBAIOK-CMPLNLGQSA-N 1 0 380.124 2.579 20 0 GFADRO Cn1nc(C(=O)Nc2ccc(OCCC[NH+](C)C)cc2)cc1Br ZINC000825760572 660440886 /nfs/dbraw/zinc/44/08/86/660440886.db2.gz JCUVLBCVYKIPKI-UHFFFAOYSA-N 1 0 381.274 2.765 20 0 GFADRO Cn1nc(C(=O)Nc2cccc(OCCC[NH+](C)C)c2)cc1Br ZINC000825839312 660443321 /nfs/dbraw/zinc/44/33/21/660443321.db2.gz KTCCIOHAFOYSAW-UHFFFAOYSA-N 1 0 381.274 2.765 20 0 GFADRO C[C@H]1CC[NH2+][C@@H](C(=O)N2CC[C@@]3(C)[C@@H](C2)C3(Br)Br)C1 ZINC000852901962 661876939 /nfs/dbraw/zinc/87/69/39/661876939.db2.gz XPLQNAOGMGOTML-WGBDABJCSA-N 1 0 394.151 2.729 20 0 GFADRO C[N@@H+]1CCCC[C@@H](CNC(=O)C[C@H]2C(=O)Nc3c2cccc3Br)C1 ZINC000827193557 660483130 /nfs/dbraw/zinc/48/31/30/660483130.db2.gz XZWALDSLMVVYBJ-GXTWGEPZSA-N 1 0 394.313 2.723 20 0 GFADRO COc1cc(C(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)cc(OC)c1Br ZINC000827353193 660490990 /nfs/dbraw/zinc/49/09/90/660490990.db2.gz APEAFAZBBLNMJL-DGCLKSJQSA-N 1 0 383.286 2.633 20 0 GFADRO Cn1nc2cc(Br)ccc2c1C(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000827233990 660485699 /nfs/dbraw/zinc/48/56/99/660485699.db2.gz VHBXJZCINUKXDU-XHDPSFHLSA-N 1 0 377.286 2.502 20 0 GFADRO Cc1csc(C(=O)N2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)c1I ZINC000827277215 660487606 /nfs/dbraw/zinc/48/76/06/660487606.db2.gz JAZMGNFEWLYIHP-WDEREUQCSA-N 1 0 390.290 2.827 20 0 GFADRO C[N@@H+]1CC[C@H]2CN(C(=O)c3cnn(-c4ccccc4)c3Br)CC[C@H]21 ZINC000827287498 660487869 /nfs/dbraw/zinc/48/78/69/660487869.db2.gz KXTUNXSTZATKLF-XJKSGUPXSA-N 1 0 389.297 2.801 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc(I)ccc3F)CC[C@@H]21 ZINC000827301924 660488053 /nfs/dbraw/zinc/48/80/53/660488053.db2.gz SCXNXLXSSLHBMO-YGRLFVJLSA-N 1 0 388.224 2.597 20 0 GFADRO C[N@@H+]1CC[C@H]2CN(C(=O)c3c(F)cccc3I)CC[C@H]21 ZINC000827300766 660488218 /nfs/dbraw/zinc/48/82/18/660488218.db2.gz NPKNTWKLOCSZEE-GXFFZTMASA-N 1 0 388.224 2.597 20 0 GFADRO C[NH+](C)CCC1CCN(C(=O)c2csc(I)n2)CC1 ZINC000827549704 660501936 /nfs/dbraw/zinc/50/19/36/660501936.db2.gz SAINDJZUNOMNQX-UHFFFAOYSA-N 1 0 393.294 2.552 20 0 GFADRO CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)C/C=C\c2ccc(Br)cc2)C1 ZINC000827836643 660518627 /nfs/dbraw/zinc/51/86/27/660518627.db2.gz IINWPGNOZNBTNQ-QGZUEGPWSA-N 1 0 381.314 2.814 20 0 GFADRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)c3cc4sccc4nc3Cl)CC2)C1 ZINC000827908797 660522603 /nfs/dbraw/zinc/52/26/03/660522603.db2.gz QMNBTOZSEGHNSW-CYBMUJFWSA-N 1 0 378.929 2.802 20 0 GFADRO C[C@]1(CC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)CC1(Cl)Cl ZINC000827919222 660522988 /nfs/dbraw/zinc/52/29/88/660522988.db2.gz HFICBRPQRXQXTJ-RYRKJORJSA-N 1 0 385.335 2.960 20 0 GFADRO CCN(C(=O)c1cc(Br)n(C)n1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000828474192 660550338 /nfs/dbraw/zinc/55/03/38/660550338.db2.gz DFEYKDCHMWQOHH-OAHLLOKOSA-N 1 0 391.313 2.919 20 0 GFADRO CCC[NH+]1CCC(NS(=O)(=O)c2cnc(Cl)c(Br)c2)CC1 ZINC000829787139 660614079 /nfs/dbraw/zinc/61/40/79/660614079.db2.gz LFCAKRDLTRNOKA-UHFFFAOYSA-N 1 0 396.738 2.650 20 0 GFADRO C[S@@](=O)CC[NH2+]C1(Cc2ccc(F)cc2Br)CCOCC1 ZINC000830022040 660630862 /nfs/dbraw/zinc/63/08/62/660630862.db2.gz BFJFTFOPRYWGDS-OAQYLSRUSA-N 1 0 378.307 2.648 20 0 GFADRO O=C1OCCN1C[C@H]1CC[N@@H+](C[C@@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000830096003 660634523 /nfs/dbraw/zinc/63/45/23/660634523.db2.gz WQPWZBAVHNMZSB-GXTWGEPZSA-N 1 0 389.279 2.507 20 0 GFADRO CC[N@@H+]1CCC[C@H](CNS(=O)(=O)c2cnc(Cl)c(Br)c2)C1 ZINC000830322179 660648320 /nfs/dbraw/zinc/64/83/20/660648320.db2.gz QBFKOTPNIDWOQV-SNVBAGLBSA-N 1 0 396.738 2.508 20 0 GFADRO CCO[C@@H]1C[C@@H]([NH2+]C[C@H](O)COc2cccc(C(F)(F)F)c2)[C@@H]1SC ZINC000830428621 660655901 /nfs/dbraw/zinc/65/59/01/660655901.db2.gz KGHYYOQIRCXGMR-XZDPQHSOSA-N 1 0 379.444 2.944 20 0 GFADRO CN(C)C(=O)O[C@@H]1CCC[N@H+](CCC(=O)Nc2cccc(Br)c2)C1 ZINC000830584459 660665389 /nfs/dbraw/zinc/66/53/89/660665389.db2.gz PAXRPLMIGAVYQL-OAHLLOKOSA-N 1 0 398.301 2.940 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@@H](NS(=O)(=O)c2cnc(Cl)c(Br)c2)C1 ZINC000830791679 660680361 /nfs/dbraw/zinc/68/03/61/660680361.db2.gz XHRNGIKAWLDYGA-NXEZZACHSA-N 1 0 396.738 2.649 20 0 GFADRO C[NH+](C)CC1CCC(NC(=O)c2csc(I)n2)CC1 ZINC000830877386 660684341 /nfs/dbraw/zinc/68/43/41/660684341.db2.gz KDEKOSZOQXRDIR-UHFFFAOYSA-N 1 0 393.294 2.598 20 0 GFADRO CC(C)(COc1ncccc1Br)NC(=O)NCCCCCC[NH3+] ZINC000831274646 660707134 /nfs/dbraw/zinc/70/71/34/660707134.db2.gz LWXYEJBZGWSNIE-UHFFFAOYSA-N 1 0 387.322 2.820 20 0 GFADRO [NH3+][C@@H](CC(=O)NC1CCN(Cc2ccc(Br)cc2)CC1)C1CC1 ZINC000831351077 660708700 /nfs/dbraw/zinc/70/87/00/660708700.db2.gz COFVPCHHGUWFIL-KRWDZBQOSA-N 1 0 380.330 2.657 20 0 GFADRO O=C(N1C[C@H]2CC[N@@H+](C[C@@H](O)c3ccc(Cl)cc3)C[C@@H]2C1)C(F)(F)F ZINC000831572643 660713244 /nfs/dbraw/zinc/71/32/44/660713244.db2.gz WHKMKXNIZIPROS-UMVBOHGHSA-N 1 0 376.806 2.716 20 0 GFADRO CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)[C@@]1(F)CC[NH2+]C1 ZINC000831774239 660726294 /nfs/dbraw/zinc/72/62/94/660726294.db2.gz HFGSVOMZXWHCJR-MRXNPFEDSA-N 1 0 376.259 2.872 20 0 GFADRO O=C(NCCC[NH2+]Cc1cccnc1)c1cc(Br)ncc1Cl ZINC000832362714 660775176 /nfs/dbraw/zinc/77/51/76/660775176.db2.gz HSWJTRRJELCDMC-UHFFFAOYSA-N 1 0 383.677 2.802 20 0 GFADRO COC1CCC([NH2+][C@H](CO)c2ccccc2I)CC1 ZINC000898511275 663653652 /nfs/dbraw/zinc/65/36/52/663653652.db2.gz BITRPKHQZNRXLD-KOHJWAIASA-N 1 0 375.250 2.872 20 0 GFADRO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)c1csc(I)n1 ZINC000834736289 660831549 /nfs/dbraw/zinc/83/15/49/660831549.db2.gz KTOPQNVKPHRBAT-SNVBAGLBSA-N 1 0 393.294 2.598 20 0 GFADRO COc1cc(/C=C\C(=O)NCC23CCC[NH+]2CCC3)cc(Br)c1O ZINC000834755783 660832079 /nfs/dbraw/zinc/83/20/79/660832079.db2.gz XCZKFWQIBICBCF-PLNGDYQASA-N 1 0 395.297 2.921 20 0 GFADRO COC(=O)N1CC([NH2+][C@@H](C)c2ccc(F)c(I)c2)C1 ZINC000834685224 660830085 /nfs/dbraw/zinc/83/00/85/660830085.db2.gz MHTJLJFVKNLQIS-QMMMGPOBSA-N 1 0 378.185 2.532 20 0 GFADRO CN(CC(=O)OCC1C[C@H]2CC[C@@H](C1)[N@H+]2C)C(=O)c1ccc(Br)o1 ZINC000835598577 660866858 /nfs/dbraw/zinc/86/68/58/660866858.db2.gz GBRWERAFQRAZRM-YHWZYXNKSA-N 1 0 399.285 2.530 20 0 GFADRO CSc1nc2ccc(NC(=O)N[C@H]3CCC[N@H+](CCCO)C3)cc2s1 ZINC000836208967 660895262 /nfs/dbraw/zinc/89/52/62/660895262.db2.gz KQORQAYVMVEBHD-ZDUSSCGKSA-N 1 0 380.539 2.987 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)NC[C@H](O)c2ccccc2Br)C1 ZINC000836373973 660902319 /nfs/dbraw/zinc/90/23/19/660902319.db2.gz ISGRDWXBTHTLQM-ZENOOKHLSA-N 1 0 384.318 2.655 20 0 GFADRO C[C@@]1(CNC(=O)N2CCC(CC[NH+]3CCOCC3)CC2)CC1(Cl)Cl ZINC000836594863 660919195 /nfs/dbraw/zinc/91/91/95/660919195.db2.gz WNMPKNIVROMLFI-INIZCTEOSA-N 1 0 378.344 2.714 20 0 GFADRO CC[C@H]([NH2+]CC(=O)Nc1cccc(S(N)(=O)=O)c1)c1ccc(Cl)cc1 ZINC000024253185 654543027 /nfs/dbraw/zinc/54/30/27/654543027.db2.gz CAUCSRISHCZPKW-INIZCTEOSA-N 1 0 381.885 2.667 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)C[C@H]1Sc2ccccc2NC1=O)c1ccsc1 ZINC000025331510 654548519 /nfs/dbraw/zinc/54/85/19/654548519.db2.gz AYMKQANQJQLCRM-GDBMZVCRSA-N 1 0 375.519 2.970 20 0 GFADRO CC(C)[C@@H](NC(=O)c1cccs1)C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000027677150 654565138 /nfs/dbraw/zinc/56/51/38/654565138.db2.gz SPKIFNQOVCNWKK-XJKSGUPXSA-N 1 0 379.551 2.983 20 0 GFADRO CCS(=O)(=O)N1CCC([NH2+][C@H](C)c2sccc2Br)CC1 ZINC000037241313 654614641 /nfs/dbraw/zinc/61/46/41/654614641.db2.gz OGOKLRLUDLJFBR-SNVBAGLBSA-N 1 0 381.361 2.975 20 0 GFADRO CCS(=O)(=O)N1CCC([NH2+][C@H](C)c2ccc(Br)s2)CC1 ZINC000038002145 654616641 /nfs/dbraw/zinc/61/66/41/654616641.db2.gz PCINTVIHXVJWHP-SNVBAGLBSA-N 1 0 381.361 2.975 20 0 GFADRO O=S(=O)(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(Br)cc1Cl ZINC000040740957 654621758 /nfs/dbraw/zinc/62/17/58/654621758.db2.gz MXDQPMFVIRPTQX-ZACCUICWSA-N 1 0 379.707 2.664 20 0 GFADRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)/C=C/c2ccc(I)o2)C1 ZINC000837184308 660975832 /nfs/dbraw/zinc/97/58/32/660975832.db2.gz GDQSCHRKTQELPS-PZBABLGHSA-N 1 0 388.249 2.839 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)C(=O)NC1CC[NH+](CC(C)C)CC1 ZINC000041277737 654625427 /nfs/dbraw/zinc/62/54/27/654625427.db2.gz PLVISVUSYHORCV-UHFFFAOYSA-N 1 0 396.329 2.933 20 0 GFADRO C[C@H]1C[NH+](CCCNC(=O)C(=O)Nc2cccc(Cl)c2Cl)C[C@H](C)O1 ZINC000041275659 654625434 /nfs/dbraw/zinc/62/54/34/654625434.db2.gz ASRFEKZGSKTAKM-RYUDHWBXSA-N 1 0 388.295 2.547 20 0 GFADRO Cc1cc(NC(=O)C(=O)NCC[NH+]2CCC(C)CC2)ccc1Br ZINC000041660397 654629498 /nfs/dbraw/zinc/62/94/98/654629498.db2.gz JWDKJLPZUMHYTB-UHFFFAOYSA-N 1 0 382.302 2.544 20 0 GFADRO Cc1ccc(NC(=O)C(=O)NCC[NH+]2CCC(C)CC2)c(Br)c1 ZINC000041660659 654629605 /nfs/dbraw/zinc/62/96/05/654629605.db2.gz DRMWLBXQJWMPNC-UHFFFAOYSA-N 1 0 382.302 2.544 20 0 GFADRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)C(=O)Nc2ccc(Br)cc2)C1 ZINC000041728946 654630150 /nfs/dbraw/zinc/63/01/50/654630150.db2.gz GFTPVGIMOKPEGV-ZIAGYGMSSA-N 1 0 396.329 2.872 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)c1nc(N2CCCC2)ncc1Cl)c1cccs1 ZINC000042765449 654644146 /nfs/dbraw/zinc/64/41/46/654644146.db2.gz ITMIVMWOUKMWTA-ZDUSSCGKSA-N 1 0 379.917 2.824 20 0 GFADRO Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC000044863096 654664134 /nfs/dbraw/zinc/66/41/34/654664134.db2.gz KNMSZMYRGXJLMC-AWEZNQCLSA-N 1 0 385.892 2.557 20 0 GFADRO COc1cc(C(=O)NCC[N@@H+]2CCC[C@@H](C)C2)cc(OC)c1Br ZINC000046878917 654687079 /nfs/dbraw/zinc/68/70/79/654687079.db2.gz YPRIAYRSMAOCLD-GFCCVEGCSA-N 1 0 385.302 2.928 20 0 GFADRO O=C(Nc1ccccc1I)N1CC[NH+](CC2CC2)CC1 ZINC000047325083 654693417 /nfs/dbraw/zinc/69/34/17/654693417.db2.gz NRBYTKAOTZYFNU-UHFFFAOYSA-N 1 0 385.249 2.851 20 0 GFADRO O=C(Nc1cccc(I)c1)N1CC[NH+](CC2CC2)CC1 ZINC000047337461 654693668 /nfs/dbraw/zinc/69/36/68/654693668.db2.gz SVMAPQVHJRODGG-UHFFFAOYSA-N 1 0 385.249 2.851 20 0 GFADRO CC(C)(C(=O)NCCCC[NH+]1CCOCC1)c1ccc(Br)cc1 ZINC000048284408 654704542 /nfs/dbraw/zinc/70/45/42/654704542.db2.gz ZZDNLLHAJJTOCH-UHFFFAOYSA-N 1 0 383.330 2.955 20 0 GFADRO CC[NH+]1CCC(NC(=O)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000048882717 654713436 /nfs/dbraw/zinc/71/34/36/654713436.db2.gz GPOLUXJECKJBGL-UHFFFAOYSA-N 1 0 377.794 2.898 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C1CCN(C(=O)c2ccc(Cl)s2)CC1 ZINC000121968676 654726518 /nfs/dbraw/zinc/72/65/18/654726518.db2.gz UTBDJJVNTHINGB-JSGCOSHPSA-N 1 0 383.945 2.982 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc(S(=O)(=O)CC)ccc2Cl)[C@H](C)C1 ZINC000122183588 654730761 /nfs/dbraw/zinc/73/07/61/654730761.db2.gz JGPQDRYLHFWPMJ-DYVFJYSZSA-N 1 0 386.945 2.936 20 0 GFADRO O=S(=O)(NCC[NH2+]Cc1cnc(-c2ccccc2)s1)c1cccs1 ZINC000122190936 654731098 /nfs/dbraw/zinc/73/10/98/654731098.db2.gz ZQGDXPSIJCYZKC-UHFFFAOYSA-N 1 0 379.532 2.940 20 0 GFADRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)NCCc2nc(C(F)(F)F)cs2)C1 ZINC000122321156 654733887 /nfs/dbraw/zinc/73/38/87/654733887.db2.gz YTORDVCUDCAJRW-GFCCVEGCSA-N 1 0 378.464 2.982 20 0 GFADRO C[NH+](C)CC(C)(C)CNC(=O)CN1C(=S)N=NC1c1ccc(Cl)cc1 ZINC000052819083 654740062 /nfs/dbraw/zinc/74/00/62/654740062.db2.gz JYDLRCHUTRBOLM-UHFFFAOYSA-N 1 0 381.933 2.591 20 0 GFADRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2c(Br)nc3n2CCCC3)C1 ZINC000837480036 661000637 /nfs/dbraw/zinc/00/06/37/661000637.db2.gz FXUKQEJDLWNQQL-CHWSQXEVSA-N 1 0 381.318 2.538 20 0 GFADRO Cn1cc(C(=O)NCC2([NH+]3CCSCC3)CCCC2)c(C(F)(F)F)n1 ZINC000054004019 654754985 /nfs/dbraw/zinc/75/49/85/654754985.db2.gz DQBYLDMREVCHLT-UHFFFAOYSA-N 1 0 376.448 2.530 20 0 GFADRO C[NH+]1CCC(NC(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000054147766 654757569 /nfs/dbraw/zinc/75/75/69/654757569.db2.gz AKWARBVKPXLQRX-INIZCTEOSA-N 1 0 384.307 2.808 20 0 GFADRO CC[NH+]1CCC(n2nccc2NC(=O)c2cc(Br)cn2C)CC1 ZINC000123504558 654757780 /nfs/dbraw/zinc/75/77/80/654757780.db2.gz XZSIATCZJVLODI-UHFFFAOYSA-N 1 0 380.290 2.893 20 0 GFADRO CC[NH+](CC)CCC[C@H](C)NC(=O)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000054537552 654761755 /nfs/dbraw/zinc/76/17/55/654761755.db2.gz OVKQTSLKHGETPD-ZDUSSCGKSA-N 1 0 376.469 2.923 20 0 GFADRO O=C([C@@H]1CCC[N@@H+](CCOc2c(Cl)cccc2Cl)C1)N1CCOCC1 ZINC000054994015 654767185 /nfs/dbraw/zinc/76/71/85/654767185.db2.gz FNLYYDMVKPWVPG-CQSZACIVSA-N 1 0 387.307 2.943 20 0 GFADRO CCC(=O)N1CCC[N@H+](CCC(=O)Nc2cccc(Br)c2)CC1 ZINC000124018541 654768928 /nfs/dbraw/zinc/76/89/28/654768928.db2.gz VINONNQAAGPIBZ-UHFFFAOYSA-N 1 0 382.302 2.722 20 0 GFADRO C[C@H](Cn1cc(Br)cn1)[NH2+][C@H](CO)Cc1c[nH]c2ccccc12 ZINC000124041532 654769483 /nfs/dbraw/zinc/76/94/83/654769483.db2.gz NTJUUDXGVDJQET-DOMZBBRYSA-N 1 0 377.286 2.709 20 0 GFADRO C[NH+](C)CCCNC(=O)CSc1nnc2c(Cl)cc(C(F)(F)F)cn12 ZINC000124529005 654777492 /nfs/dbraw/zinc/77/74/92/654777492.db2.gz ZOKLSUIBDWLXCW-UHFFFAOYSA-N 1 0 395.838 2.562 20 0 GFADRO O=C(CCOc1ccccc1Br)N1CCN(c2cc[nH+]cc2)CC1 ZINC000056197827 654790239 /nfs/dbraw/zinc/79/02/39/654790239.db2.gz HJVZPSLMFGBOBQ-UHFFFAOYSA-N 1 0 390.281 2.962 20 0 GFADRO C[N@@H+](Cc1cccc(C(N)=O)c1)C[C@H](O)COc1cc(Cl)ccc1Cl ZINC000056514732 654796436 /nfs/dbraw/zinc/79/64/36/654796436.db2.gz NVFBFBZSGJZDBR-HNNXBMFYSA-N 1 0 383.275 2.964 20 0 GFADRO C[NH+](C)C1(CNC(=O)c2ccc(S(=O)(=O)C(F)(F)F)cc2)CCCC1 ZINC000056529418 654796568 /nfs/dbraw/zinc/79/65/68/654796568.db2.gz JTGHCXZXNRSKPH-UHFFFAOYSA-N 1 0 378.416 2.584 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1CCNC(=O)Nc1ccc(NS(C)(=O)=O)c(Cl)c1 ZINC000125796512 654802249 /nfs/dbraw/zinc/80/22/49/654802249.db2.gz AJPSRRVHJDVTQU-GFCCVEGCSA-N 1 0 388.921 2.707 20 0 GFADRO C[C@H](CNC(=O)CSc1nncn1-c1cccc(Cl)c1)[N@H+](C)C1CC1 ZINC000057712089 654808877 /nfs/dbraw/zinc/80/88/77/654808877.db2.gz UIJISRAFLGWQEP-GFCCVEGCSA-N 1 0 379.917 2.612 20 0 GFADRO CCCN(C(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000126230062 654810777 /nfs/dbraw/zinc/81/07/77/654810777.db2.gz POBPCDSWNCKZTO-ZQIUZPCESA-N 1 0 386.945 2.805 20 0 GFADRO Cc1ccc(Br)cc1S(=O)(=O)NCC[N@H+]1CCCC[C@@H]1C ZINC000058561825 654819810 /nfs/dbraw/zinc/81/98/10/654819810.db2.gz OEKLWWBSTAMNEB-ZDUSSCGKSA-N 1 0 375.332 2.910 20 0 GFADRO CC(C)(C[NH2+]CC1=CCCOC1)S(=O)(=O)c1ccc(Br)cc1 ZINC000127403538 654829080 /nfs/dbraw/zinc/82/90/80/654829080.db2.gz VPNRHXXXFBANKT-UHFFFAOYSA-N 1 0 388.327 2.938 20 0 GFADRO C[C@H](NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1ccc(F)c(Br)c1 ZINC000127972733 654839129 /nfs/dbraw/zinc/83/91/29/654839129.db2.gz LXLYDVXFQHJWNH-JSGCOSHPSA-N 1 0 386.309 2.826 20 0 GFADRO O=C(c1cc(Br)c2c(c1)OCCO2)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000128146133 654841731 /nfs/dbraw/zinc/84/17/31/654841731.db2.gz DEHNTODNNFSVII-ZDUSSCGKSA-N 1 0 395.297 2.778 20 0 GFADRO Cc1cc(NC(=O)C(=O)NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)ccc1Br ZINC000062120993 654843813 /nfs/dbraw/zinc/84/38/13/654843813.db2.gz GEZGJVBFXOXKSN-TZMCWYRMSA-N 1 0 396.329 2.933 20 0 GFADRO CCOC(=O)C[C@H](NC(=O)C[C@H]1CC[NH2+]C1)c1ccc(Br)cc1 ZINC000129083518 654855997 /nfs/dbraw/zinc/85/59/97/654855997.db2.gz GNOOAHBQCOKAHF-DOMZBBRYSA-N 1 0 383.286 2.559 20 0 GFADRO CCC[NH+]1CCC(CNC(=O)Cn2c(=S)[nH]nc2-c2cccs2)CC1 ZINC000129150582 654858611 /nfs/dbraw/zinc/85/86/11/654858611.db2.gz AZQLIKCDJSILAT-UHFFFAOYSA-N 1 0 379.555 2.907 20 0 GFADRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)S(=O)(=O)c1ccc(OCC(F)(F)F)cc1 ZINC000266138726 654858933 /nfs/dbraw/zinc/85/89/33/654858933.db2.gz CLBLZISNYDPYQG-SWLSCSKDSA-N 1 0 380.432 2.588 20 0 GFADRO Cc1ccc(S(=O)(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c(Br)c1 ZINC000129176312 654859161 /nfs/dbraw/zinc/85/91/61/654859161.db2.gz GONIQIALNSMXEP-HIFRSBDPSA-N 1 0 387.343 2.862 20 0 GFADRO Cc1ccc(Br)cc1C(=O)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000266165867 654860508 /nfs/dbraw/zinc/86/05/08/654860508.db2.gz UUYDJMOWRYOFGE-UHFFFAOYSA-N 1 0 382.346 2.856 20 0 GFADRO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)c1ccc(F)c(Br)c1 ZINC000266321228 654871776 /nfs/dbraw/zinc/87/17/76/654871776.db2.gz PYTVMEBUGOTGTR-UHFFFAOYSA-N 1 0 386.309 2.686 20 0 GFADRO CC1CCC([NH+]2CCC(N(C)S(=O)(=O)c3ncn(C)c3Cl)CC2)CC1 ZINC000066103379 654894552 /nfs/dbraw/zinc/89/45/52/654894552.db2.gz XRMKPMZIQMANSS-UHFFFAOYSA-N 1 0 388.965 2.737 20 0 GFADRO C[C@H]([NH2+]C[C@@H](c1ccsc1)N(C)C)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000266839043 654895968 /nfs/dbraw/zinc/89/59/68/654895968.db2.gz GIRCATLTZUIDMM-KSSFIOAISA-N 1 0 381.567 2.952 20 0 GFADRO C[C@H]([NH2+]C[C@@H](O)c1cccc(Cl)c1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000266881162 654897437 /nfs/dbraw/zinc/89/74/37/654897437.db2.gz PJCXUMUHTRQJCQ-SCLBCKFNSA-N 1 0 382.913 2.975 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)c(C)c1CNC[C@](C)(O)C[NH+](C)C ZINC000131521616 654909344 /nfs/dbraw/zinc/90/93/44/654909344.db2.gz BNUTYPWSUNUFOK-SFHVURJKSA-N 1 0 395.345 2.654 20 0 GFADRO CC[NH+]1CCC(n2nccc2NC(=O)c2n[nH]c(C)c2Br)CC1 ZINC000066662860 654911859 /nfs/dbraw/zinc/91/18/59/654911859.db2.gz URPDJGAQNUFCLP-UHFFFAOYSA-N 1 0 381.278 2.586 20 0 GFADRO C[NH+](C)[C@@]1(CNC(=O)c2cc(Br)cnc2Cl)CCSC1 ZINC000267127836 654912393 /nfs/dbraw/zinc/91/23/93/654912393.db2.gz RBEILDKZEJOHGU-CYBMUJFWSA-N 1 0 378.723 2.665 20 0 GFADRO [NH3+]C1CCC(NC(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CCCC2)CC1 ZINC000131724756 654915372 /nfs/dbraw/zinc/91/53/72/654915372.db2.gz HWQVSLLMQMXBSN-UHFFFAOYSA-N 1 0 384.929 2.813 20 0 GFADRO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)CCc1ccc(Br)cc1 ZINC000267193558 654916267 /nfs/dbraw/zinc/91/62/67/654916267.db2.gz ZQIVOLJHRIHYDL-UHFFFAOYSA-N 1 0 396.373 2.866 20 0 GFADRO CN(CCCN1CC[NH+](C)CC1)C(=O)c1cc(Cl)cc(Br)c1 ZINC000131780105 654918163 /nfs/dbraw/zinc/91/81/63/654918163.db2.gz DSGVFDQODKXKSI-UHFFFAOYSA-N 1 0 388.737 2.812 20 0 GFADRO C[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(S(=O)(=O)c3ccccc3)s2)C1 ZINC000131865358 654919619 /nfs/dbraw/zinc/91/96/19/654919619.db2.gz PMXHURVFTLGKEK-AWEZNQCLSA-N 1 0 378.519 2.653 20 0 GFADRO CC[N@H+](C)CCNC(=O)CCCOc1ccc(I)cc1 ZINC000066948953 654923322 /nfs/dbraw/zinc/92/33/22/654923322.db2.gz TUFFPRVMMFZBAR-UHFFFAOYSA-N 1 0 390.265 2.518 20 0 GFADRO Cn1cc(Br)cc(NC(=O)NC[C@H](c2ccsc2)[NH+](C)C)c1=O ZINC000267617932 654938495 /nfs/dbraw/zinc/93/84/95/654938495.db2.gz QEUCFBOPDHEMSA-CYBMUJFWSA-N 1 0 399.314 2.634 20 0 GFADRO C[C@H](NC(=O)C[NH+]1CCC2(CNC(=O)C2)CC1)c1ccc(Cl)cc1Cl ZINC000267750664 654944756 /nfs/dbraw/zinc/94/47/56/654944756.db2.gz DQPJIZMIADFYEK-LBPRGKRZSA-N 1 0 384.307 2.773 20 0 GFADRO C[C@@H](NC(=O)C[NH+]1CCC2(CNC(=O)C2)CC1)c1ccc(Cl)cc1Cl ZINC000267750660 654944790 /nfs/dbraw/zinc/94/47/90/654944790.db2.gz DQPJIZMIADFYEK-GFCCVEGCSA-N 1 0 384.307 2.773 20 0 GFADRO C[NH+]1CCN(C[C@@H](NC(=O)c2ccc(Br)o2)c2ccccc2)CC1 ZINC000068024672 654951618 /nfs/dbraw/zinc/95/16/18/654951618.db2.gz KTNTXKNPVRIZFQ-OAHLLOKOSA-N 1 0 392.297 2.761 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)N1CCCN(c2nccs2)CC1)c1ccsc1 ZINC000068364018 654960825 /nfs/dbraw/zinc/96/08/25/654960825.db2.gz LWIRMVFCURVKIQ-OAHLLOKOSA-N 1 0 379.555 2.729 20 0 GFADRO C[C@@H](NC(=O)C(=O)Nc1ccc(F)cc1Br)C(C)(C)C[NH+](C)C ZINC000133409652 654963652 /nfs/dbraw/zinc/96/36/52/654963652.db2.gz BBDYYTJXUPNCGR-SNVBAGLBSA-N 1 0 388.281 2.619 20 0 GFADRO C[NH+](C)CCNC(=O)C1CCN(C(=O)c2cc(F)c(Cl)cc2Cl)CC1 ZINC000068498451 654964430 /nfs/dbraw/zinc/96/44/30/654964430.db2.gz VQAMYHUPYMGRED-UHFFFAOYSA-N 1 0 390.286 2.663 20 0 GFADRO C[C@H](NC(=O)c1ccc(Br)s1)C(=O)OCCCCC[NH+](C)C ZINC000133667472 654969921 /nfs/dbraw/zinc/96/99/21/654969921.db2.gz MIXWPMXOKNTLAM-NSHDSACASA-N 1 0 391.331 2.904 20 0 GFADRO CC[C@](C)([NH2+]CC(=O)N1CCc2sccc2[C@H]1c1cccs1)C(N)=O ZINC000133732280 654972630 /nfs/dbraw/zinc/97/26/30/654972630.db2.gz MXHDLJWBFBEEIP-WMZOPIPTSA-N 1 0 377.535 2.527 20 0 GFADRO CC[NH+]1CCC(NC(=O)c2cc(I)ccc2F)CC1 ZINC000268483134 654974235 /nfs/dbraw/zinc/97/42/35/654974235.db2.gz LUZYOJZTIYHXFV-UHFFFAOYSA-N 1 0 376.213 2.644 20 0 GFADRO CC(C)[NH+]1CCC(O)(CNC(=O)/C=C/c2csc(Br)c2)CC1 ZINC000268496688 654974875 /nfs/dbraw/zinc/97/48/75/654974875.db2.gz TWALUXHRGXQGQD-ONEGZZNKSA-N 1 0 387.343 2.875 20 0 GFADRO CC(C)[NH+]1CCC(O)(CNC(=O)[C@H](C)Oc2ccc(Br)cc2)CC1 ZINC000268518646 654976138 /nfs/dbraw/zinc/97/61/38/654976138.db2.gz ZMKIRSZBOCXVSZ-AWEZNQCLSA-N 1 0 399.329 2.568 20 0 GFADRO C[C@@H]1C[C@@H](N(C)C(=O)c2cc(I)ccc2F)CC[N@@H+]1C ZINC000268547324 654977438 /nfs/dbraw/zinc/97/74/38/654977438.db2.gz VLAQUSFWQWHNFB-PWSUYJOCSA-N 1 0 390.240 2.985 20 0 GFADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)NC[C@@H](O)c1ccccc1Br ZINC000838516726 661048554 /nfs/dbraw/zinc/04/85/54/661048554.db2.gz DIHCPEZVSCWMRC-XJKSGUPXSA-N 1 0 384.318 2.656 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000134153725 654985015 /nfs/dbraw/zinc/98/50/15/654985015.db2.gz GHOZOACDXOKZNU-AWEZNQCLSA-N 1 0 396.329 2.805 20 0 GFADRO COCCC[C@@H](C)[NH2+]CCCNC(=O)c1cc(OC)ccc1Br ZINC000268913567 654990829 /nfs/dbraw/zinc/99/08/29/654990829.db2.gz NFSKWNPUVVJMBY-CYBMUJFWSA-N 1 0 387.318 2.982 20 0 GFADRO CNC(=O)C[C@H](C)[NH2+]CCSCCOc1cccc(Br)c1 ZINC000268949739 654992298 /nfs/dbraw/zinc/99/22/98/654992298.db2.gz UZQSYWWTFUSVDZ-LBPRGKRZSA-N 1 0 375.332 2.675 20 0 GFADRO NC(=O)[C@H]1CCCN1CCC[NH2+][C@@H]1CCCOc2ccc(Br)cc21 ZINC000268945641 654992413 /nfs/dbraw/zinc/99/24/13/654992413.db2.gz UFNQXEBZNXERQX-HZPDHXFCSA-N 1 0 396.329 2.592 20 0 GFADRO C[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2Cl)[C@@H]1C[NH3+] ZINC000070177349 654992339 /nfs/dbraw/zinc/99/23/39/654992339.db2.gz VMAAWGFVCOICPM-BXKDBHETSA-N 1 0 381.723 2.850 20 0 GFADRO C[NH2+]CCC1CCN(S(=O)(=O)c2cc(Br)ccc2C)CC1 ZINC000070189590 654992417 /nfs/dbraw/zinc/99/24/17/654992417.db2.gz AWAZNQJEZIAQIL-UHFFFAOYSA-N 1 0 375.332 2.768 20 0 GFADRO CCOC(=O)CNC(=O)C1CC[NH+]([C@@H](C)c2cccc(Br)c2)CC1 ZINC000134528971 654995537 /nfs/dbraw/zinc/99/55/37/654995537.db2.gz LEDDHFAXXGWGIK-ZDUSSCGKSA-N 1 0 397.313 2.901 20 0 GFADRO CC(C)[C@@H]([NH3+])C(=O)Nc1cc(Cl)c(NC(=O)c2cnccn2)c(Cl)c1 ZINC000269060042 654996619 /nfs/dbraw/zinc/99/66/19/654996619.db2.gz JMZIANNRUDWZQN-CYBMUJFWSA-N 1 0 382.251 2.958 20 0 GFADRO CS[C@H]1CCCC[N@H+](CC(=O)NCC(=O)Nc2cccc(Cl)c2C)C1 ZINC000134596853 654997136 /nfs/dbraw/zinc/99/71/36/654997136.db2.gz YINURRMNQXQBOQ-AWEZNQCLSA-N 1 0 383.945 2.921 20 0 GFADRO CCc1c(C(=O)N2CC[C@@H]([NH2+]C)C2)cnn1-c1ccc(Br)cc1 ZINC000269118723 654998543 /nfs/dbraw/zinc/99/85/43/654998543.db2.gz IXPUMAFVOZSGGF-CYBMUJFWSA-N 1 0 377.286 2.631 20 0 GFADRO COCCCN(CCOc1c(Cl)cccc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000071119907 654999503 /nfs/dbraw/zinc/99/95/03/654999503.db2.gz CLQPEPHXULKUFE-CYBMUJFWSA-N 1 0 396.336 2.898 20 0 GFADRO C[C@@H](NC(=O)c1cc(F)ccc1I)[C@H]1CCC[NH2+]C1 ZINC000269209367 655001680 /nfs/dbraw/zinc/00/16/80/655001680.db2.gz OYSJKOXPMZAHFJ-ZJUUUORDSA-N 1 0 376.213 2.548 20 0 GFADRO CCc1c(NC(=O)C[C@H]2C[NH2+]CCO2)n[nH]c1-c1ccc(Br)cc1 ZINC000269220153 655002013 /nfs/dbraw/zinc/00/20/13/655002013.db2.gz MZGZDFISQWTOHP-ZDUSSCGKSA-N 1 0 393.285 2.719 20 0 GFADRO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)c1cc(F)ccc1I ZINC000269242588 655002722 /nfs/dbraw/zinc/00/27/22/655002722.db2.gz CXAKIZLNRMKQKM-TVQRCGJNSA-N 1 0 376.213 2.678 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)c1cc(Br)c2c(c1)OCCO2 ZINC000078610166 655004984 /nfs/dbraw/zinc/00/49/84/655004984.db2.gz IOGKYTOPRUUDRO-CYBMUJFWSA-N 1 0 395.297 2.967 20 0 GFADRO CN(C(=O)NCC[C@@]1(C)CC1(Cl)Cl)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000838680561 661053859 /nfs/dbraw/zinc/05/38/59/661053859.db2.gz JMCQBSGGUPKNPD-WBVHZDCISA-N 1 0 391.387 2.770 20 0 GFADRO C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1nccnc1N ZINC000079352092 655007668 /nfs/dbraw/zinc/00/76/68/655007668.db2.gz ZSMLKNAIHUCGHX-UHFFFAOYSA-N 1 0 382.295 2.960 20 0 GFADRO Cc1n[nH]cc1C[NH+]1CCC(C(=O)Nc2ccc(Br)cn2)CC1 ZINC000091844000 655010589 /nfs/dbraw/zinc/01/05/89/655010589.db2.gz AYDCPGXGDBMRNG-UHFFFAOYSA-N 1 0 378.274 2.726 20 0 GFADRO O=S(=O)(c1c[nH]c2nccc(Cl)c12)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000093921447 655023844 /nfs/dbraw/zinc/02/38/44/655023844.db2.gz UWKPZIUYEFFLJT-CYBMUJFWSA-N 1 0 382.917 2.713 20 0 GFADRO OC[C@H](C[C@H](O)c1ccccc1)[NH2+]Cc1cc2c(c(Br)c1)OCO2 ZINC000269968575 655029244 /nfs/dbraw/zinc/02/92/44/655029244.db2.gz WVLISEMXUQPTHM-HOCLYGCPSA-N 1 0 394.265 2.752 20 0 GFADRO CSCC[C@H](CO)NC(=O)NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000136360816 655030642 /nfs/dbraw/zinc/03/06/42/655030642.db2.gz BKCCNUWCDVWDGN-CVEARBPZSA-N 1 0 385.599 2.934 20 0 GFADRO C[NH+]1CCC([C@@H]2CCN(S(=O)(=O)c3ccccc3Br)C2)CC1 ZINC000270021305 655031463 /nfs/dbraw/zinc/03/14/63/655031463.db2.gz AJGIUEMUTOKEDD-CQSZACIVSA-N 1 0 387.343 2.802 20 0 GFADRO Cc1c(Br)cccc1C(=O)Nc1ccc(=O)n(CC[NH+](C)C)c1 ZINC000270079301 655033473 /nfs/dbraw/zinc/03/34/73/655033473.db2.gz IJVDNDLRKYCDCQ-UHFFFAOYSA-N 1 0 378.270 2.733 20 0 GFADRO C[C@H]1Cc2cc(S(=O)(=O)N[C@H]3CC[N@@H+](C4CCCC4)C3)cc(Cl)c2O1 ZINC000097590949 655036511 /nfs/dbraw/zinc/03/65/11/655036511.db2.gz BDQNPFDQORFREB-JSGCOSHPSA-N 1 0 384.929 2.959 20 0 GFADRO COc1ccc(Br)c(C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)c1 ZINC000097590536 655036568 /nfs/dbraw/zinc/03/65/68/655036568.db2.gz PFVWFRBCWBFCKS-CYBMUJFWSA-N 1 0 397.313 2.688 20 0 GFADRO Cc1cc(Br)ccc1C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000136947115 655037113 /nfs/dbraw/zinc/03/71/13/655037113.db2.gz JPLQMZYDPMQJBB-CQSZACIVSA-N 1 0 381.314 2.988 20 0 GFADRO C[NH+](C)CCn1cc(NC(=O)COc2ccc(Cl)c(Cl)c2)ccc1=O ZINC000270225926 655037909 /nfs/dbraw/zinc/03/79/09/655037909.db2.gz NHIRLTFRXIRSDC-UHFFFAOYSA-N 1 0 384.263 2.734 20 0 GFADRO Cc1nn(Cc2cccc(Br)c2)c(C)c1C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000137445777 655040261 /nfs/dbraw/zinc/04/02/61/655040261.db2.gz GHOUSNFDRHRLQE-MRXNPFEDSA-N 1 0 391.313 2.778 20 0 GFADRO CCC[N@@H+]1CCC[C@H]1C(=O)NCCCNC(=O)c1cccc(Br)c1 ZINC000101519831 655042045 /nfs/dbraw/zinc/04/20/45/655042045.db2.gz KAKGRSFPTISTIL-INIZCTEOSA-N 1 0 396.329 2.560 20 0 GFADRO C[NH+]1CCC(CNC(=O)[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)CC1 ZINC000101522508 655042264 /nfs/dbraw/zinc/04/22/64/655042264.db2.gz VVGUJMMDNZFDAN-CQSZACIVSA-N 1 0 384.307 2.804 20 0 GFADRO O=C(Nc1ccccc1Br)C1CC[NH+](CCn2cccn2)CC1 ZINC000101916481 655048347 /nfs/dbraw/zinc/04/83/47/655048347.db2.gz NHKDESUENBAJJS-UHFFFAOYSA-N 1 0 377.286 2.996 20 0 GFADRO CC[N@H+](C)CCNC(=O)NCC1(c2ccc(Br)cc2)CCOCC1 ZINC000102004123 655049528 /nfs/dbraw/zinc/04/95/28/655049528.db2.gz JBYDQZSMKWZSJG-UHFFFAOYSA-N 1 0 398.345 2.748 20 0 GFADRO CC[C@](C)(CC(=O)OC)[NH2+]CC(=O)N(C)Cc1cc(Br)cs1 ZINC000151595696 655052901 /nfs/dbraw/zinc/05/29/01/655052901.db2.gz IHBHCMISBPKWJL-OAHLLOKOSA-N 1 0 391.331 2.790 20 0 GFADRO CCOc1cc(C[NH2+][C@H]2CCCN(C(=O)OC)C2)cc(Br)c1O ZINC000838926470 661063614 /nfs/dbraw/zinc/06/36/14/661063614.db2.gz JBRRLNZDTWPIBO-LBPRGKRZSA-N 1 0 387.274 2.874 20 0 GFADRO NC(=O)[C@@H](c1cccc(Br)c1)N1CCC([NH+]2CCCCC2)CC1 ZINC000270803519 655056480 /nfs/dbraw/zinc/05/64/80/655056480.db2.gz UZYOOUQNUUIUDH-QGZVFWFLSA-N 1 0 380.330 2.926 20 0 GFADRO CC(C)[NH+](CCNC(=O)CSc1nnc(-c2cccs2)n1C)C(C)C ZINC000102634128 655056760 /nfs/dbraw/zinc/05/67/60/655056760.db2.gz HCCUKPAQVSTXJA-UHFFFAOYSA-N 1 0 381.571 2.871 20 0 GFADRO Cc1cc(S(=O)(=O)N2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c(C)s1 ZINC000102661240 655057441 /nfs/dbraw/zinc/05/74/41/655057441.db2.gz RGRZOVAIXXSGPA-OKILXGFUSA-N 1 0 386.583 2.875 20 0 GFADRO CC(C)[NH+]1CCN(C2CCN(C(=O)c3occc3Br)CC2)CC1 ZINC000270932586 655060647 /nfs/dbraw/zinc/06/06/47/655060647.db2.gz QHSFTYYQRROSCF-UHFFFAOYSA-N 1 0 384.318 2.673 20 0 GFADRO C[NH+](C)CCNC(=O)c1cc(I)cc(C(F)(F)F)c1 ZINC000102792144 655061014 /nfs/dbraw/zinc/06/10/14/655061014.db2.gz LFFULCNGOWUIBC-UHFFFAOYSA-N 1 0 386.155 2.601 20 0 GFADRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)N[C@H](CO)c2ccc(Br)cc2)C1 ZINC000271143751 655067564 /nfs/dbraw/zinc/06/75/64/655067564.db2.gz OVLSEUPSDNIUNC-RHSMWYFYSA-N 1 0 398.345 2.760 20 0 GFADRO CN(CC[NH+]1CCCC1)C(=O)Cn1c(=S)[nH]nc1-c1ccc(Cl)cc1 ZINC000103204140 655069118 /nfs/dbraw/zinc/06/91/18/655069118.db2.gz YDFLFNULMNXWNC-UHFFFAOYSA-N 1 0 379.917 2.815 20 0 GFADRO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1nccn2c(Br)cnc12 ZINC000271231113 655071755 /nfs/dbraw/zinc/07/17/55/655071755.db2.gz IVAZTGYZONKBEO-GFCCVEGCSA-N 1 0 382.306 2.732 20 0 GFADRO COc1cc[nH+]c(N2CCN(C(=O)NCCc3ccc(Cl)s3)CC2)c1 ZINC000103856712 655076690 /nfs/dbraw/zinc/07/66/90/655076690.db2.gz LEINNWUZTFTZPM-UHFFFAOYSA-N 1 0 380.901 2.879 20 0 GFADRO COc1cccc(NC(=[NH2+])NCCNC(=O)c2ccc(Br)cc2)c1 ZINC000104176715 655079158 /nfs/dbraw/zinc/07/91/58/655079158.db2.gz TZXSBTYVQGOYSB-UHFFFAOYSA-N 1 0 391.269 2.614 20 0 GFADRO CCOc1cc(Br)c(CC(=O)NC[C@H]2CC[N@H+](C)C2)cc1OCC ZINC000104187758 655079495 /nfs/dbraw/zinc/07/94/95/655079495.db2.gz JBAFXQAYSNDQFK-CYBMUJFWSA-N 1 0 399.329 2.857 20 0 GFADRO C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C[C@H]1CSCCS1 ZINC000154965941 655079583 /nfs/dbraw/zinc/07/95/83/655079583.db2.gz VGXDNXZRVSMVNU-AEFFLSMTSA-N 1 0 379.595 2.552 20 0 GFADRO COCc1nc2n(n1)C[C@H]([NH2+][C@H]1CCc3cc(Br)ccc31)CC2 ZINC000271542899 655084883 /nfs/dbraw/zinc/08/48/83/655084883.db2.gz UODFXNBMJZIITB-HIFRSBDPSA-N 1 0 377.286 2.779 20 0 GFADRO CC[N@@H+]1CC[C@@H](CNC(=O)c2ccc(I)c(F)c2)C1 ZINC000105320620 655090540 /nfs/dbraw/zinc/09/05/40/655090540.db2.gz MMCPAXMPSYMMHY-JTQLQIEISA-N 1 0 376.213 2.502 20 0 GFADRO CC(=O)N[C@@H](CC(=O)N1CCC[C@@H]([NH+](C)C)C1)c1ccc(Br)cc1 ZINC000105325198 655090769 /nfs/dbraw/zinc/09/07/69/655090769.db2.gz HRDVFGTZBZMVQU-SJORKVTESA-N 1 0 396.329 2.569 20 0 GFADRO CCCCc1nnc(NC(=O)C[NH2+][C@@H](C)c2ccc([S@@](C)=O)cc2)s1 ZINC000271772643 655094126 /nfs/dbraw/zinc/09/41/26/655094126.db2.gz FNLUCHLMIRWTAK-UOXLDJKESA-N 1 0 380.539 2.907 20 0 GFADRO CCCCc1nnc(NC(=O)C[NH2+][C@@H](C)c2ccc([S@](C)=O)cc2)s1 ZINC000271772646 655094260 /nfs/dbraw/zinc/09/42/60/655094260.db2.gz FNLUCHLMIRWTAK-VDBVYFBLSA-N 1 0 380.539 2.907 20 0 GFADRO O=c1ccn(C[NH+]2CCN(c3ccccn3)CC2)c2c(Br)cccc12 ZINC000105604238 655095828 /nfs/dbraw/zinc/09/58/28/655095828.db2.gz RQQMVWMYDRAMKM-UHFFFAOYSA-N 1 0 399.292 2.939 20 0 GFADRO CC[C@H]([NH2+]C[C@H]1CC[C@H](C(=O)N(C)C)O1)c1cc(Br)ccc1O ZINC000157029442 655097814 /nfs/dbraw/zinc/09/78/14/655097814.db2.gz CADKUMMLZVBJEZ-IVMMDQJWSA-N 1 0 385.302 2.831 20 0 GFADRO C[N@H+]1CC=C(CNC(=O)c2ccc(I)cc2Cl)CC1 ZINC000271921029 655098644 /nfs/dbraw/zinc/09/86/44/655098644.db2.gz SWZGVSWXUYFLBZ-UHFFFAOYSA-N 1 0 390.652 2.936 20 0 GFADRO CS(=O)(=O)[C@@H]1CCC[C@@H]([NH2+][C@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)C1 ZINC000271974098 655099729 /nfs/dbraw/zinc/09/97/29/655099729.db2.gz VCXKJGAHODHKRU-KFNAQCHYSA-N 1 0 388.892 2.530 20 0 GFADRO O=S1(=O)CC[C@@]2(C1)C[C@H]([NH2+]Cc1ccc(Cl)c3cccnc13)CCO2 ZINC000271976618 655099760 /nfs/dbraw/zinc/09/97/60/655099760.db2.gz IRQIITPBCSKDKD-KDOFPFPSSA-N 1 0 380.897 2.714 20 0 GFADRO CCC[NH+]1CCC(CNC(=O)NNC(=O)c2ccccc2Br)CC1 ZINC000157633870 655101580 /nfs/dbraw/zinc/10/15/80/655101580.db2.gz QBJXBJSFYJJEAT-UHFFFAOYSA-N 1 0 397.317 2.515 20 0 GFADRO Cc1c(C(=O)N2CC[C@@H]([C@H](C)[NH3+])C2)cnn1-c1ccc(Br)cc1 ZINC000272180505 655105237 /nfs/dbraw/zinc/10/52/37/655105237.db2.gz DCUOCLBYHQEBOK-WCQYABFASA-N 1 0 377.286 2.753 20 0 GFADRO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000272310165 655108562 /nfs/dbraw/zinc/10/85/62/655108562.db2.gz RRXBDJHXDCGUHQ-GHMZBOCLSA-N 1 0 379.254 2.673 20 0 GFADRO COc1c(O)cccc1C[NH2+]C[C@H](O)COc1ccccc1Br ZINC000272499895 655115059 /nfs/dbraw/zinc/11/50/59/655115059.db2.gz VMMANQIKVAFUCE-ZDUSSCGKSA-N 1 0 382.254 2.693 20 0 GFADRO O=C(Nc1ccc(Br)cc1F)C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000106962648 655115817 /nfs/dbraw/zinc/11/58/17/655115817.db2.gz MXHCPANBEPRMQO-GFCCVEGCSA-N 1 0 398.276 2.660 20 0 GFADRO O=C(NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1)NCC(F)(F)F ZINC000107324554 655119736 /nfs/dbraw/zinc/11/97/36/655119736.db2.gz AWIHRTWVVYFSJJ-UHFFFAOYSA-N 1 0 378.826 2.714 20 0 GFADRO CC[NH+]1CCN([C@H]2CCN(Cc3cn4cc(Cl)cc(Cl)c4n3)C2)CC1 ZINC000107368880 655120222 /nfs/dbraw/zinc/12/02/22/655120222.db2.gz ODEOYLGMFODQCB-INIZCTEOSA-N 1 0 382.339 2.853 20 0 GFADRO C[C@H](C[NH+]1CCCCC1)NC(=O)c1csc(I)c1 ZINC000107553269 655122329 /nfs/dbraw/zinc/12/23/29/655122329.db2.gz RYZQOFPUVNTKNC-SNVBAGLBSA-N 1 0 378.279 2.957 20 0 GFADRO Cc1cc(Br)oc1C(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000272904402 655124906 /nfs/dbraw/zinc/12/49/06/655124906.db2.gz YIHZONIZAHYLAH-OAHLLOKOSA-N 1 0 393.281 2.847 20 0 GFADRO Cc1ccc(-n2nc(Br)cc2C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000161051342 655125560 /nfs/dbraw/zinc/12/55/60/655125560.db2.gz IYACUMLIIHBAEU-OLZOCXBDSA-N 1 0 377.286 2.943 20 0 GFADRO CC(C)OC(=O)N1CCC([NH2+][C@@H](C(N)=O)c2cccc(Br)c2)CC1 ZINC000162119376 655130057 /nfs/dbraw/zinc/13/00/57/655130057.db2.gz LPQWAJRALCSWSX-OAHLLOKOSA-N 1 0 398.301 2.575 20 0 GFADRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1cnn(C)c1Br ZINC000273228868 655135878 /nfs/dbraw/zinc/13/58/78/655135878.db2.gz OFXKJQVYGABKRZ-BBRMVZONSA-N 1 0 391.313 2.823 20 0 GFADRO CC(=O)N1CC[C@H](C[N@@H+](C)Cn2ccc(=O)c3cccc(Br)c32)C1 ZINC000165125010 655139706 /nfs/dbraw/zinc/13/97/06/655139706.db2.gz FQOCSNWBSUOCFF-CQSZACIVSA-N 1 0 392.297 2.522 20 0 GFADRO C[NH+](C)CCCN(C(=O)c1cc(Cl)sc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000273403051 655142339 /nfs/dbraw/zinc/14/23/39/655142339.db2.gz BHWXTDYHJZQDSV-SNVBAGLBSA-N 1 0 399.365 2.636 20 0 GFADRO NC(=O)C1([NH2+]C[C@@H](O)c2ccccc2Br)C2CC3CC(C2)CC1C3 ZINC000839198307 661075869 /nfs/dbraw/zinc/07/58/69/661075869.db2.gz LUYGZPMOHWHLGY-JNOJRNRHSA-N 1 0 393.325 2.752 20 0 GFADRO C[NH+](C)CCOc1cc(-c2noc(-c3cccc(Br)n3)n2)ccn1 ZINC000273850090 655160715 /nfs/dbraw/zinc/16/07/15/655160715.db2.gz GBYSQLPCTOKGHU-UHFFFAOYSA-N 1 0 390.241 2.897 20 0 GFADRO CCC[NH+]1CCC(CNC(=O)COc2ccc(C=O)cc2Br)CC1 ZINC000172943087 655161057 /nfs/dbraw/zinc/16/10/57/655161057.db2.gz HPCOJLMSRDEASQ-UHFFFAOYSA-N 1 0 397.313 2.879 20 0 GFADRO CC(C)OCC[NH+]1CCN(CCC(=O)Nc2ccccc2Br)CC1 ZINC000173170993 655164716 /nfs/dbraw/zinc/16/47/16/655164716.db2.gz YHECPMQUALOGIQ-UHFFFAOYSA-N 1 0 398.345 2.820 20 0 GFADRO O=C(CC[N@@H+]1CC[C@H](NC(=O)NC2CC2)C1)Nc1cc(Cl)ccc1Cl ZINC000273943446 655165400 /nfs/dbraw/zinc/16/54/00/655165400.db2.gz GRYZRFGKAYCEMK-ZDUSSCGKSA-N 1 0 385.295 2.858 20 0 GFADRO C[C@H]1C[C@@H](N(C)S(=O)(=O)c2cc(Br)cnc2Cl)CC[N@@H+]1C ZINC000173272084 655166319 /nfs/dbraw/zinc/16/63/19/655166319.db2.gz JCWXIEUXRZYHFX-ONGXEEELSA-N 1 0 396.738 2.601 20 0 GFADRO CC(=O)Nc1cc(F)c(S(=O)(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1Cl ZINC000173274427 655166570 /nfs/dbraw/zinc/16/65/70/655166570.db2.gz LCQIYQOPCWSLMM-ZYHUDNBSSA-N 1 0 391.896 2.541 20 0 GFADRO C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@H+](C)CCn1cccn1 ZINC000111281096 655167735 /nfs/dbraw/zinc/16/77/35/655167735.db2.gz JABZKJBWXPLNJU-CQSZACIVSA-N 1 0 379.302 2.625 20 0 GFADRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)COc1ccc(C=O)cc1Br ZINC000173320339 655167868 /nfs/dbraw/zinc/16/78/68/655167868.db2.gz FSENEDNEXWUSIL-CQSZACIVSA-N 1 0 383.286 2.631 20 0 GFADRO O=C(CC[N@@H+]1CCC[C@@H](N2CCCC2=O)C1)Nc1ccccc1Br ZINC000111295391 655168320 /nfs/dbraw/zinc/16/83/20/655168320.db2.gz XOXQYFXRFCVEEC-CQSZACIVSA-N 1 0 394.313 2.865 20 0 GFADRO COCCOC[C@@H]1CC[N@H+](Cn2ccc(=O)c3cccc(Br)c32)C1 ZINC000173393088 655169718 /nfs/dbraw/zinc/16/97/18/655169718.db2.gz QGHRFRPJHQLLPK-CQSZACIVSA-N 1 0 395.297 2.706 20 0 GFADRO CC[C@H]1CCC[N@@H+](C(C)(C)CNS(=O)(=O)c2c(C)nn(C)c2Cl)C1 ZINC000111350344 655170162 /nfs/dbraw/zinc/17/01/62/655170162.db2.gz PSSBXETXMOFGHY-ZDUSSCGKSA-N 1 0 376.954 2.561 20 0 GFADRO Ic1ccccc1-c1nc([C@H]2C[N@@H+]3CCC[C@@H]3CO2)no1 ZINC000274064345 655171508 /nfs/dbraw/zinc/17/15/08/655171508.db2.gz RTVJLICJKIMZPM-ZWNOBZJWSA-N 1 0 397.216 2.877 20 0 GFADRO CC[NH+](CC)C[C@H]1CCN(CN2c3ccc(Br)cc3C(=O)C2=O)C1 ZINC000173428371 655171741 /nfs/dbraw/zinc/17/17/41/655171741.db2.gz PRZHTQCPRCGGGN-CYBMUJFWSA-N 1 0 394.313 2.600 20 0 GFADRO Cn1cc(N2CC[C@H]([NH2+][C@@H]3CCc4cc(Br)ccc43)C2=O)cn1 ZINC000111372951 655171918 /nfs/dbraw/zinc/17/19/18/655171918.db2.gz BMWYRZMIUPAWHK-CVEARBPZSA-N 1 0 375.270 2.565 20 0 GFADRO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)c1cnn(C)c1Br ZINC000274107319 655173263 /nfs/dbraw/zinc/17/32/63/655173263.db2.gz UXMHHNYOKMIDJM-ZBFHGGJFSA-N 1 0 389.297 2.939 20 0 GFADRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)Nc1ccc(NS(C)(=O)=O)c(Cl)c1 ZINC000173555636 655174821 /nfs/dbraw/zinc/17/48/21/655174821.db2.gz FUFYEQGIYRWIHN-GFCCVEGCSA-N 1 0 388.921 2.517 20 0 GFADRO C[NH+](C)CC(=O)N1CCC[C@@H]1c1nc(Cc2ccc(Br)cc2)no1 ZINC000111651086 655175399 /nfs/dbraw/zinc/17/53/99/655175399.db2.gz OGYWHMXRWRWWGO-CQSZACIVSA-N 1 0 393.285 2.648 20 0 GFADRO O=C(CCn1cc(Br)ccc1=O)NCCCCC[NH+]1CCCCC1 ZINC000111663980 655175714 /nfs/dbraw/zinc/17/57/14/655175714.db2.gz ZBYFAUHHGBZFCJ-UHFFFAOYSA-N 1 0 398.345 2.773 20 0 GFADRO [NH3+]CC1(CC(=O)NCc2nc3cc(Br)cnc3[nH]2)CCCCC1 ZINC000274192138 655178258 /nfs/dbraw/zinc/17/82/58/655178258.db2.gz FJRJKFIZUUYJBK-UHFFFAOYSA-N 1 0 380.290 2.636 20 0 GFADRO O=C1[C@H]([NH2+]Cc2cncc(Br)c2)CCCN1Cc1ccccn1 ZINC000274232319 655180872 /nfs/dbraw/zinc/18/08/72/655180872.db2.gz FMMHWGMKGQSNCN-MRXNPFEDSA-N 1 0 375.270 2.520 20 0 GFADRO COCCN(CC[NH+](C)C)C(=O)Nc1cnc(Cl)c(Br)c1 ZINC000274325003 655184824 /nfs/dbraw/zinc/18/48/24/655184824.db2.gz DBMLHXNOVDQSPP-UHFFFAOYSA-N 1 0 379.686 2.539 20 0 GFADRO C[NH+](C)CCn1ccc(NC(=O)NCCc2ccc(Br)cc2)n1 ZINC000173912169 655185130 /nfs/dbraw/zinc/18/51/30/655185130.db2.gz QNSFVHDISXVPJR-UHFFFAOYSA-N 1 0 380.290 2.571 20 0 GFADRO O=C(CCC[NH2+]Cc1nc(-c2ccc(Br)cc2)c[nH]1)NC1CC1 ZINC000112371980 655190116 /nfs/dbraw/zinc/19/01/16/655190116.db2.gz SDJCUAIYOMKWHM-UHFFFAOYSA-N 1 0 377.286 2.988 20 0 GFADRO CCC[C@H](O)C[NH2+]Cc1cc(I)c(OC)c(OC)c1 ZINC000112377025 655190531 /nfs/dbraw/zinc/19/05/31/655190531.db2.gz AYWBLSPJAFBCHV-NSHDSACASA-N 1 0 379.238 2.559 20 0 GFADRO COc1ccc(Br)cc1C[N@H+](CCO)CCOCC(F)(F)F ZINC000112412647 655191088 /nfs/dbraw/zinc/19/10/88/655191088.db2.gz TWNGGEMLBBBMMG-UHFFFAOYSA-N 1 0 386.208 2.831 20 0 GFADRO CC(C)C[NH+]1CCN(C(=O)c2csc(I)c2)CC1 ZINC000113424694 655210267 /nfs/dbraw/zinc/21/02/67/655210267.db2.gz RQDDPZJPTVRBNA-UHFFFAOYSA-N 1 0 378.279 2.767 20 0 GFADRO COc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2ncccn2)cc1Br ZINC000112518372 655192750 /nfs/dbraw/zinc/19/27/50/655192750.db2.gz KWTRLUZQOCBQTI-GHMZBOCLSA-N 1 0 379.258 2.926 20 0 GFADRO C[C@H]([NH2+]C[C@@H](O)COc1ccc(Cl)cc1Br)[C@H]1CCOC1 ZINC000274596506 655194087 /nfs/dbraw/zinc/19/40/87/655194087.db2.gz JLGGESJMQZAAHC-GMXVVIOVSA-N 1 0 378.694 2.857 20 0 GFADRO O=C(NCCc1cc(Br)ccc1F)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000174362644 655200320 /nfs/dbraw/zinc/20/03/20/655200320.db2.gz PPUYHDYEDNRETM-OAHLLOKOSA-N 1 0 382.277 2.786 20 0 GFADRO COC[C@H]1CCC[N@H+](CC(=O)Nc2cccc(I)c2)C1 ZINC000112986719 655200815 /nfs/dbraw/zinc/20/08/15/655200815.db2.gz PAUGHZGPBLDZAB-LBPRGKRZSA-N 1 0 388.249 2.588 20 0 GFADRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)NCc1ccccc1Br ZINC000174428229 655202569 /nfs/dbraw/zinc/20/25/69/655202569.db2.gz TUIHRPCRJDCNKQ-HNNXBMFYSA-N 1 0 384.318 2.701 20 0 GFADRO COc1cc(C[NH2+]CC(C)(C)OC)cc(I)c1OC ZINC000174597635 655204677 /nfs/dbraw/zinc/20/46/77/655204677.db2.gz KJSAHCBVFINSMY-UHFFFAOYSA-N 1 0 379.238 2.823 20 0 GFADRO C[C@@H]1[C@H](C)SCC[N@@H+]1CCC(=O)Nc1sc2c(c1C(N)=O)CCCC2 ZINC000839497581 661087652 /nfs/dbraw/zinc/08/76/52/661087652.db2.gz OFZBCNRMPGXVAS-NEPJUHHUSA-N 1 0 381.567 2.880 20 0 GFADRO C[NH+](C)C[C@H]1CCN(C(=O)C2(c3ccc(Br)cc3)CCOCC2)C1 ZINC000113454879 655210717 /nfs/dbraw/zinc/21/07/17/655210717.db2.gz YFJBJTZUYZCLCK-OAHLLOKOSA-N 1 0 395.341 2.907 20 0 GFADRO O[C@H](COCc1cccs1)C[NH+]1CCC(Oc2cncc(Cl)n2)CC1 ZINC000275046290 655213661 /nfs/dbraw/zinc/21/36/61/655213661.db2.gz JAPGENMZHIJXSC-ZDUSSCGKSA-N 1 0 383.901 2.612 20 0 GFADRO C[NH+](C)[C@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2Cl)C1 ZINC000113750805 655214662 /nfs/dbraw/zinc/21/46/62/655214662.db2.gz ZFVVZNPMVDTSFU-NSHDSACASA-N 1 0 381.723 2.817 20 0 GFADRO CC(C)[NH+]1CCC(NC(=O)COc2ccc(Br)cc2C=O)CC1 ZINC000114217850 655218364 /nfs/dbraw/zinc/21/83/64/655218364.db2.gz RFGIPKUJZJNJBO-UHFFFAOYSA-N 1 0 383.286 2.629 20 0 GFADRO COCCOC[C@@H]1CC[N@H+](Cc2nc3ccc(Br)cc3n2C)C1 ZINC000275172070 655220905 /nfs/dbraw/zinc/22/09/05/655220905.db2.gz VPISUVUEYQIMMO-CYBMUJFWSA-N 1 0 382.302 2.821 20 0 GFADRO O=C(NCCc1ccc(Cl)cc1Cl)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000175524301 655222552 /nfs/dbraw/zinc/22/25/52/655222552.db2.gz MBHWPVVJOBOOSJ-CQSZACIVSA-N 1 0 386.323 2.900 20 0 GFADRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(I)cc1)c1cn[nH]c1 ZINC000275229123 655224224 /nfs/dbraw/zinc/22/42/24/655224224.db2.gz VNVZIMINTBJTTK-ZJUUUORDSA-N 1 0 384.221 2.692 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)Cc2nnnn2-c2ccccc2Br)[C@H](C)C1 ZINC000175728291 655226315 /nfs/dbraw/zinc/22/63/15/655226315.db2.gz RQBIVVOZUZWCSW-UKRRQHHQSA-N 1 0 393.333 2.587 20 0 GFADRO O=C(N1CC[NH+](C2CCOCC2)CC1)C1(c2cccc(Br)c2)CC1 ZINC000175842472 655228104 /nfs/dbraw/zinc/22/81/04/655228104.db2.gz WAILTCGGNYDHHH-UHFFFAOYSA-N 1 0 393.325 2.804 20 0 GFADRO CN(C(=O)CNC(=O)c1sc2ccccc2c1Cl)[C@H]1CCC[N@H+](C)C1 ZINC000175839406 655228180 /nfs/dbraw/zinc/22/81/80/655228180.db2.gz RWNGMGQFGOJHHQ-LBPRGKRZSA-N 1 0 379.913 2.837 20 0 GFADRO O=C(c1cc(I)c[nH]1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000115383766 655236610 /nfs/dbraw/zinc/23/66/10/655236610.db2.gz WDDPNPLPPDHHTD-UHFFFAOYSA-N 1 0 387.265 2.567 20 0 GFADRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C[C@H]1Sc2ccc(Cl)cc2NC1=O ZINC000115436210 655237401 /nfs/dbraw/zinc/23/74/01/655237401.db2.gz LCOMIBFCXPCNJO-MLGOLLRUSA-N 1 0 381.929 2.943 20 0 GFADRO CC1(C)C[N@H+](C[C@H](O)COc2ccc(Cl)cc2Br)CC[C@@H]1O ZINC000275507229 655239435 /nfs/dbraw/zinc/23/94/35/655239435.db2.gz SBNOPJOOMHXBCI-WFASDCNBSA-N 1 0 392.721 2.935 20 0 GFADRO CCOCCC[N@@H+]1CC[C@@H](NS(=O)(=O)c2ccc(Cl)cc2F)[C@H](C)C1 ZINC000115592282 655240107 /nfs/dbraw/zinc/24/01/07/655240107.db2.gz AUQXHYPRMMKSPV-CZUORRHYSA-N 1 0 392.924 2.894 20 0 GFADRO Cn1ccnc1CN(C(=O)c1occc1Br)[C@@H]1CC12CC[NH2+]CC2 ZINC000275566810 655242149 /nfs/dbraw/zinc/24/21/49/655242149.db2.gz GCFIERXEXFQPMU-CYBMUJFWSA-N 1 0 393.285 2.560 20 0 GFADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)Nc1cccnc1-c1ccc(Cl)s1 ZINC000275606706 655243790 /nfs/dbraw/zinc/24/37/90/655243790.db2.gz HTCOMPSZRDEHPX-LBPRGKRZSA-N 1 0 379.917 2.831 20 0 GFADRO O=C(NC1(c2ccc(Br)cc2)CC1)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000275646399 655245484 /nfs/dbraw/zinc/24/54/84/655245484.db2.gz NZNHZLKYYOYADC-OAHLLOKOSA-N 1 0 389.297 2.989 20 0 GFADRO CCOc1c(Br)cc(C[NH2+]C[C@]2(O)CCSC2)cc1OC ZINC000176756110 655255183 /nfs/dbraw/zinc/25/51/83/655255183.db2.gz MRYOZCZMMZRQPY-OAHLLOKOSA-N 1 0 376.316 2.814 20 0 GFADRO C[NH+](C)CCn1c(=O)oc2ccc(NC(=O)c3occc3Br)cc21 ZINC000176959611 655263996 /nfs/dbraw/zinc/26/39/96/655263996.db2.gz KMHZOOXQYMVPPN-UHFFFAOYSA-N 1 0 394.225 2.764 20 0 GFADRO COCCOCCOCC[N@H+](C)CCC(=O)Nc1cc(Cl)ccc1Cl ZINC000276153765 655265285 /nfs/dbraw/zinc/26/52/85/655265285.db2.gz GTBZKPHMYNXJKJ-UHFFFAOYSA-N 1 0 393.311 2.933 20 0 GFADRO COc1c(Cl)cc(NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1Cl ZINC000276197433 655266862 /nfs/dbraw/zinc/26/68/62/655266862.db2.gz YVFFZVQZCDXADW-ZYHUDNBSSA-N 1 0 388.295 2.882 20 0 GFADRO CC[NH+](CC)CCNC(=O)C(=O)Nc1ccccc1SCC(F)(F)F ZINC000118094800 655271554 /nfs/dbraw/zinc/27/15/54/655271554.db2.gz UZKJTBJVTZMVCT-UHFFFAOYSA-N 1 0 377.432 2.738 20 0 GFADRO CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)Nc1cc(Br)ccc1C ZINC000118126189 655272010 /nfs/dbraw/zinc/27/20/10/655272010.db2.gz SGJRYHOPEHVPSR-AWEZNQCLSA-N 1 0 382.302 2.687 20 0 GFADRO CC(C)[N@H+](C)CCNC(=O)C(=O)Nc1ccccc1SCC(F)(F)F ZINC000118122131 655272140 /nfs/dbraw/zinc/27/21/40/655272140.db2.gz NPZMEENXYVOQTB-UHFFFAOYSA-N 1 0 377.432 2.736 20 0 GFADRO Cc1nc(CC[N@@H+](C)Cc2ccc(Br)cc2N2CCOCC2)no1 ZINC000276375254 655273310 /nfs/dbraw/zinc/27/33/10/655273310.db2.gz DXGVGRKOQXAORP-UHFFFAOYSA-N 1 0 395.301 2.652 20 0 GFADRO C[C@H](CNC(=O)C(=O)Nc1ccccc1Br)C[NH+]1CCCCC1 ZINC000118895888 655282982 /nfs/dbraw/zinc/28/29/82/655282982.db2.gz HLEQIGMNWRGFKL-CYBMUJFWSA-N 1 0 382.302 2.626 20 0 GFADRO C[N@@H+]1CCC[C@H](CNC(=O)C(=O)Nc2ccccc2SC(F)(F)F)C1 ZINC000118898801 655283242 /nfs/dbraw/zinc/28/32/42/655283242.db2.gz ICEDTUQFIAYXEH-LLVKDONJSA-N 1 0 375.416 2.695 20 0 GFADRO CC(C)(CNC(=O)C(=O)Nc1cccc(Br)c1)C[NH+]1CCCC1 ZINC000276795136 655287852 /nfs/dbraw/zinc/28/78/52/655287852.db2.gz PSMYACKDCWSKCJ-UHFFFAOYSA-N 1 0 382.302 2.626 20 0 GFADRO O=C(NC1CC[NH+](Cc2cccnc2)CC1)c1ccncc1Br ZINC000177815754 655289256 /nfs/dbraw/zinc/28/92/56/655289256.db2.gz XDIYCXUXIZXARW-UHFFFAOYSA-N 1 0 375.270 2.634 20 0 GFADRO C[C@@H]1CCC[N@H+](CCNC(=O)N[C@@H](CO)c2cccc(Br)c2)C1 ZINC000177932680 655292234 /nfs/dbraw/zinc/29/22/34/655292234.db2.gz NZVAOUPCFNHZRC-CJNGLKHVSA-N 1 0 384.318 2.514 20 0 GFADRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)Nc2cc(Br)cn(C)c2=O)C1 ZINC000177964553 655293030 /nfs/dbraw/zinc/29/30/30/655293030.db2.gz RVOXMGMLOAPJKV-GFCCVEGCSA-N 1 0 399.333 2.780 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000178000428 655294705 /nfs/dbraw/zinc/29/47/05/655294705.db2.gz WRVKOCAAVQMBPH-UONOGXRCSA-N 1 0 382.302 2.685 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000178006241 655295142 /nfs/dbraw/zinc/29/51/42/655295142.db2.gz LKZPEONJGPTZAA-HUUCEWRRSA-N 1 0 396.329 2.993 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(Br)c(F)c2)C1 ZINC000178009105 655295173 /nfs/dbraw/zinc/29/51/73/655295173.db2.gz SCIATOLOTMVMGX-ZYHUDNBSSA-N 1 0 386.265 2.516 20 0 GFADRO CNC(=O)c1ccc(C[NH2+]C[C@@H](CO)Cc2ccccc2Br)cc1 ZINC000276958016 655295215 /nfs/dbraw/zinc/29/52/15/655295215.db2.gz CUVTXBAXZBVLBV-HNNXBMFYSA-N 1 0 391.309 2.750 20 0 GFADRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)C(=O)Nc2cc(Br)ccc2F)C1 ZINC000178009877 655295396 /nfs/dbraw/zinc/29/53/96/655295396.db2.gz AFRSFFXPCMODFJ-RYUDHWBXSA-N 1 0 386.265 2.516 20 0 GFADRO O=C(c1ccc(C2SCCS2)cc1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000178108674 655297970 /nfs/dbraw/zinc/29/79/70/655297970.db2.gz LIIAUGYWNXWADH-HNNXBMFYSA-N 1 0 378.563 2.960 20 0 GFADRO CS(=O)(=O)c1ccc(C[NH2+]C2CCN(c3ccccn3)CC2)cc1Cl ZINC000277063354 655301094 /nfs/dbraw/zinc/30/10/94/655301094.db2.gz IEAQRCCRLAWZSR-UHFFFAOYSA-N 1 0 379.913 2.897 20 0 GFADRO CS(=O)(=O)[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CSCCN1Cc1ccccc1 ZINC000277063586 655301103 /nfs/dbraw/zinc/30/11/03/655301103.db2.gz IFOYOMFDCWOSAU-GBESFXJTSA-N 1 0 382.595 2.549 20 0 GFADRO C[NH+](C)CCN(Cc1ccco1)S(=O)(=O)c1ccc(Br)cc1 ZINC000119371192 655301257 /nfs/dbraw/zinc/30/12/57/655301257.db2.gz UVZFINHNUFVBRH-UHFFFAOYSA-N 1 0 387.299 2.795 20 0 GFADRO C[C@@H]([NH2+]CCSC(F)(F)F)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000178417809 655303485 /nfs/dbraw/zinc/30/34/85/655303485.db2.gz SJWRZPQNKDYAQB-GFCCVEGCSA-N 1 0 398.472 2.611 20 0 GFADRO Cc1cc(NC(=O)C(=O)NCC2(C)CC[NH+](C)CC2)cc(C)c1Br ZINC000277133685 655304966 /nfs/dbraw/zinc/30/49/66/655304966.db2.gz ZGVSRCDQHVIUPJ-UHFFFAOYSA-N 1 0 396.329 2.853 20 0 GFADRO O=C(CCc1ncc(-c2ccccc2Br)o1)NC[C@@H]1CCC[NH2+]1 ZINC000178740629 655308619 /nfs/dbraw/zinc/30/86/19/655308619.db2.gz YATWEOLQAWIZNH-LBPRGKRZSA-N 1 0 378.270 2.905 20 0 GFADRO COC(=O)c1c(Br)ccc(NC(=O)N2CC[C@H]([NH+](C)C)C2)c1C ZINC000277249621 655309691 /nfs/dbraw/zinc/30/96/91/655309691.db2.gz PWHGQFSFUNUJKQ-NSHDSACASA-N 1 0 384.274 2.712 20 0 GFADRO C[C@@H]([NH2+]CCc1ccc(S(N)(=O)=O)cc1)c1ccccc1Br ZINC000119685119 655311038 /nfs/dbraw/zinc/31/10/38/655311038.db2.gz GMAUHZMWWDEAHO-GFCCVEGCSA-N 1 0 383.311 2.990 20 0 GFADRO C[NH+](C)CC1CCC(NC(=O)COc2ccc(C=O)cc2Br)CC1 ZINC000119781539 655315032 /nfs/dbraw/zinc/31/50/32/655315032.db2.gz QFJWNHYOQXHUST-UHFFFAOYSA-N 1 0 397.313 2.877 20 0 GFADRO CC(=O)N[C@@H](CC(=O)N1CC[NH+](C(C)C)CC1)c1ccc(Br)cc1 ZINC000119797964 655315630 /nfs/dbraw/zinc/31/56/30/655315630.db2.gz CGWQCSAOXILEEC-KRWDZBQOSA-N 1 0 396.329 2.569 20 0 GFADRO Cc1[nH]cc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c(=O)c1Br ZINC000119798883 655315845 /nfs/dbraw/zinc/31/58/45/655315845.db2.gz CMWTWPTXHGXKAK-SWLSCSKDSA-N 1 0 394.313 2.947 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2cccc(Br)c2)[C@H](C)C1 ZINC000119829392 655317206 /nfs/dbraw/zinc/31/72/06/655317206.db2.gz PMCZTYOHGSYHST-IUODEOHRSA-N 1 0 382.302 2.576 20 0 GFADRO CC[NH+](CC)[C@H]1CCN(S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2Cl)C1 ZINC000180051483 655321342 /nfs/dbraw/zinc/32/13/42/655321342.db2.gz GKEOVJCCCGSDQD-LBPRGKRZSA-N 1 0 375.878 2.661 20 0 GFADRO CSC[C@H](O)C[NH2+][C@@H](CO)c1ccc(Br)cc1C(F)(F)F ZINC000280745783 655330045 /nfs/dbraw/zinc/33/00/45/655330045.db2.gz MXCOMAQERWZDEN-SKDRFNHKSA-N 1 0 388.249 2.815 20 0 GFADRO CCC[C@H](CC)[NH2+][C@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000180452161 655326842 /nfs/dbraw/zinc/32/68/42/655326842.db2.gz MFPMAAUREQOMRR-HIFRSBDPSA-N 1 0 376.544 2.642 20 0 GFADRO CC(C)C[NH+]1CCN(Cn2nc3ccc(Br)cn3c2=S)CC1 ZINC000839952188 661120071 /nfs/dbraw/zinc/12/00/71/661120071.db2.gz AIQHHYVVGXQASJ-UHFFFAOYSA-N 1 0 384.347 2.859 20 0 GFADRO CC[C@H]([NH2+]C[C@H](O)c1ccc(C)o1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000280761099 655330740 /nfs/dbraw/zinc/33/07/40/655330740.db2.gz FLCBJISUFVRFOA-GJZGRUSLSA-N 1 0 386.901 2.924 20 0 GFADRO CC[C@H]1CN(C(=O)Nc2cc(Br)ccc2F)CC[N@@H+]1C[C@@H](C)O ZINC000120552198 655338766 /nfs/dbraw/zinc/33/87/66/655338766.db2.gz AQKIZMNSSAHIEE-YPMHNXCESA-N 1 0 388.281 2.897 20 0 GFADRO CN(CN1CC[C@@H](c2cccc(Br)c2)C1=O)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000839995852 661122664 /nfs/dbraw/zinc/12/26/64/661122664.db2.gz KLHBMQUMZCMIFQ-ROUUACIJSA-N 1 0 392.341 2.891 20 0 GFADRO COc1ccc(CCC(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)cc1Br ZINC000289292661 655345815 /nfs/dbraw/zinc/34/58/15/655345815.db2.gz RFPXTJVQSOTDMB-SFHVURJKSA-N 1 0 381.314 2.992 20 0 GFADRO CCOc1cc(CN2CC[NH+](CCOC)CC2)cc(Br)c1OC ZINC000120894222 655346270 /nfs/dbraw/zinc/34/62/70/655346270.db2.gz WPWCNMHEYONXDR-UHFFFAOYSA-N 1 0 387.318 2.620 20 0 GFADRO Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)N1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC000291061689 655350012 /nfs/dbraw/zinc/35/00/12/655350012.db2.gz NECVQLCGJHHIEH-PWSUYJOCSA-N 1 0 378.826 2.949 20 0 GFADRO COc1cc(C[N@H+](C)C[C@@H](O)COCC(F)(F)F)c(SC)cc1OC ZINC000292520663 655351857 /nfs/dbraw/zinc/35/18/57/655351857.db2.gz DVZALQRIHSASSM-GFCCVEGCSA-N 1 0 383.432 2.797 20 0 GFADRO Cc1nc2sccn2c(=O)c1CC[NH2+][C@H](C)[C@@H]1OCCc2sccc21 ZINC000292524073 655352041 /nfs/dbraw/zinc/35/20/41/655352041.db2.gz WLQCNNCTXLZEPW-WBMJQRKESA-N 1 0 375.519 2.961 20 0 GFADRO CC[N@H+](C)C[C@H]1CCN(CN2CC[C@@H](c3cccc(Br)c3)C2=O)C1 ZINC000840017647 661124515 /nfs/dbraw/zinc/12/45/15/661124515.db2.gz ZHMWMACJVLYKPJ-QAPCUYQASA-N 1 0 394.357 2.996 20 0 GFADRO CN(C)CC[N@H+](C)CCCNC(=O)c1[nH]c2ccccc2c1Br ZINC000292843646 655355080 /nfs/dbraw/zinc/35/50/80/655355080.db2.gz CLGMCSGQCKBNRQ-UHFFFAOYSA-N 1 0 381.318 2.544 20 0 GFADRO C[NH+](C)CC(C)(C)CNS(=O)(=O)/C=C/c1cccc(Br)c1 ZINC000184094602 655355141 /nfs/dbraw/zinc/35/51/41/655355141.db2.gz TYQJEQNKXAYEPR-CMDGGOBGSA-N 1 0 375.332 2.927 20 0 GFADRO C[C@@H](C[N@@H+]1CCC[C@H](n2cc(CO)nn2)C1)c1cccc(Br)c1 ZINC000293770236 655361769 /nfs/dbraw/zinc/36/17/69/655361769.db2.gz YNBSPWBYVGKGDM-GUYCJALGSA-N 1 0 379.302 2.974 20 0 GFADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)Nc1ccnnc1 ZINC000297317270 655369711 /nfs/dbraw/zinc/36/97/11/655369711.db2.gz CWKJQBDPINELMY-UHFFFAOYSA-N 1 0 378.274 2.835 20 0 GFADRO COC(=O)/C=C1\SCC(=O)N1CCC[NH+]1CCC(c2ccsc2)CC1 ZINC000186941314 655372058 /nfs/dbraw/zinc/37/20/58/655372058.db2.gz ZXKIZJUFNZLEDA-BOPFTXTBSA-N 1 0 380.535 2.907 20 0 GFADRO CC[NH+]1CCC(NC(=O)C(=O)Nc2cccc(C3SCCS3)c2)CC1 ZINC000298614838 655373555 /nfs/dbraw/zinc/37/35/55/655373555.db2.gz XFQVJCOJSCKVGS-UHFFFAOYSA-N 1 0 379.551 2.704 20 0 GFADRO Cc1csc([C@](O)(CC(=O)NCC[N@H+]2CCCC[C@@H]2C)C(F)(F)F)n1 ZINC000299384088 655375351 /nfs/dbraw/zinc/37/53/51/655375351.db2.gz OEUVFNXNDHSNKR-SWLSCSKDSA-N 1 0 379.448 2.582 20 0 GFADRO O[C@@H](C[NH2+]CCn1cc(Br)cn1)c1cccc(Br)c1 ZINC000311770379 655379555 /nfs/dbraw/zinc/37/95/55/655379555.db2.gz JINGRSUWJOCOOF-ZDUSSCGKSA-N 1 0 389.091 2.731 20 0 GFADRO O=S(=O)(NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1cccnc1Cl ZINC000310955552 655379284 /nfs/dbraw/zinc/37/92/84/655379284.db2.gz AQSCWPVAAMSDDU-MRXNPFEDSA-N 1 0 379.913 2.926 20 0 GFADRO C[C@H](CCc1ccc(Br)cc1)NC(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC000188431556 655379778 /nfs/dbraw/zinc/37/97/78/655379778.db2.gz LAGSRLOKXNCBNC-LLVKDONJSA-N 1 0 377.286 2.569 20 0 GFADRO C[N@@H+]1CCC[C@@]2(CCN(Cn3c(=O)oc4cc(Br)c(F)cc43)C2)C1 ZINC000840087459 661130875 /nfs/dbraw/zinc/13/08/75/661130875.db2.gz SORUHGWUVSOLJG-QGZVFWFLSA-N 1 0 398.276 2.871 20 0 GFADRO COc1c(Br)cc(Cl)cc1S(=O)(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000320638103 655382221 /nfs/dbraw/zinc/38/22/21/655382221.db2.gz DBCXMEHYSTTWHJ-YUMQZZPRSA-N 1 0 385.711 2.515 20 0 GFADRO O=C1N[C@@H](c2ccc(Br)cc2)C(=O)N1CCC[NH+]1CCCCC1 ZINC000349190325 655388536 /nfs/dbraw/zinc/38/85/36/655388536.db2.gz OETMJOZNVWRXPR-HNNXBMFYSA-N 1 0 380.286 2.918 20 0 GFADRO C[C@@H](c1cccc(Br)c1)N1CC(=O)N(C2CC[NH+](C)CC2)C1=O ZINC000349269094 655388925 /nfs/dbraw/zinc/38/89/25/655388925.db2.gz RYARUQZOTLUMLK-LBPRGKRZSA-N 1 0 380.286 2.869 20 0 GFADRO C[NH+]1CCC(n2ccc(NC(=O)c3cc(Br)ncc3Cl)n2)CC1 ZINC000365926404 655396974 /nfs/dbraw/zinc/39/69/74/655396974.db2.gz CLGNGWFESJPDDH-UHFFFAOYSA-N 1 0 398.692 3.213 20 0 GFADRO Fc1ccc(I)c(F)c1CN1CC[C@@]2(CCC[NH2+]2)C1 ZINC000415145828 655403526 /nfs/dbraw/zinc/40/35/26/655403526.db2.gz XWAKOOZUQWOPFN-AWEZNQCLSA-N 1 0 378.204 2.897 20 0 GFADRO COCCN(Cc1cc(Br)cs1)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000418347158 655405776 /nfs/dbraw/zinc/40/57/76/655405776.db2.gz VJOIMYABGVKGRW-LBPRGKRZSA-N 1 0 390.347 2.668 20 0 GFADRO C[C@@H](NC(=O)N1C[C@@H](C)[N@H+](CCO)C[C@@H]1C)c1ccc(Br)s1 ZINC000419496019 655406839 /nfs/dbraw/zinc/40/68/39/655406839.db2.gz SWSCJIRVQWSGLB-GRYCIOLGSA-N 1 0 390.347 2.668 20 0 GFADRO C[C@@H](NC(=O)N1C[C@H](C)[N@H+](CCO)C[C@@H]1C)c1ccc(Br)s1 ZINC000419496027 655406915 /nfs/dbraw/zinc/40/69/15/655406915.db2.gz SWSCJIRVQWSGLB-SDDRHHMPSA-N 1 0 390.347 2.668 20 0 GFADRO O=C(N1CC[C@@]2(CCC[NH2+]2)C1)C1(c2ccc(Br)cc2)CCOCC1 ZINC000424022311 655407914 /nfs/dbraw/zinc/40/79/14/655407914.db2.gz CVCNYILXIRGBAE-SFHVURJKSA-N 1 0 393.325 2.852 20 0 GFADRO Cn1ccnc1[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Br)cc2)C1 ZINC000443983615 655409791 /nfs/dbraw/zinc/40/97/91/655409791.db2.gz WDZMISCWRWWYDH-CQSZACIVSA-N 1 0 398.326 2.892 20 0 GFADRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)c1ccc(OC(F)(F)Cl)cc1 ZINC000194886181 655417996 /nfs/dbraw/zinc/41/79/96/655417996.db2.gz GLRNPWRVWTZAMY-GFCCVEGCSA-N 1 0 376.831 2.772 20 0 GFADRO Cc1nc(C)c(S(=O)(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)s1 ZINC000530956486 655420814 /nfs/dbraw/zinc/42/08/14/655420814.db2.gz DRYSWXFPLLIBDJ-KRWDZBQOSA-N 1 0 379.551 2.603 20 0 GFADRO C[NH+]1CCN(c2ccccc2NC(=O)c2cccc(Br)n2)CC1 ZINC000200433478 655421100 /nfs/dbraw/zinc/42/11/00/655421100.db2.gz ULKFTKJPRYWTKM-UHFFFAOYSA-N 1 0 375.270 2.848 20 0 GFADRO CC[NH+](CC)CC[C@H](CO)Nc1ncc(Br)c(OC(C)(C)C)n1 ZINC000554685738 655422700 /nfs/dbraw/zinc/42/27/00/655422700.db2.gz QACBTCQVFKEPOX-GFCCVEGCSA-N 1 0 389.338 2.921 20 0 GFADRO C[C@H]1OCC[C@]1(O)C[NH2+]Cc1cc(Br)c(Br)s1 ZINC000227127172 655422739 /nfs/dbraw/zinc/42/27/39/655422739.db2.gz OPOPNPBQHLCVDB-HQJQHLMTSA-N 1 0 385.121 2.903 20 0 GFADRO C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000560655594 655423607 /nfs/dbraw/zinc/42/36/07/655423607.db2.gz OHBSLEOTFLUBOO-YPMHNXCESA-N 1 0 384.307 2.866 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NCc1nc2c(cccc2Br)[nH]1 ZINC000562675739 655424024 /nfs/dbraw/zinc/42/40/24/655424024.db2.gz SUCBUHOPRFBDRY-LBPRGKRZSA-N 1 0 394.317 2.951 20 0 GFADRO C[NH+]1CCC(N(CCO)C(=O)c2ccc(Cl)cc2Br)CC1 ZINC000234338017 655424262 /nfs/dbraw/zinc/42/42/62/655424262.db2.gz SDGDAKSZXMAVJW-UHFFFAOYSA-N 1 0 375.694 2.631 20 0 GFADRO CC(C)C[C@](C)(C[NH3+])NC(=O)[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000236701217 655424770 /nfs/dbraw/zinc/42/47/70/655424770.db2.gz MJOAEHGTKADVSR-CRAIPNDOSA-N 1 0 396.329 2.682 20 0 GFADRO COC[C@@H](C)OC[C@@H](O)C[NH2+]CC1(c2ccccc2Br)CCC1 ZINC000574151615 655425551 /nfs/dbraw/zinc/42/55/51/655425551.db2.gz PMCVPSSTBGJSKZ-CABCVRRESA-N 1 0 386.330 2.873 20 0 GFADRO C#CCOc1ccc(Br)cc1C[NH2+]C[C@@H]1CCCN1CCOC ZINC000237093580 655425645 /nfs/dbraw/zinc/42/56/45/655425645.db2.gz VQPZQMWQKQYZDC-KRWDZBQOSA-N 1 0 381.314 2.662 20 0 GFADRO COc1ccc(C(=O)N(C)CC[C@@H]([NH3+])C(C)C)c(I)c1 ZINC000237164747 655425859 /nfs/dbraw/zinc/42/58/59/655425859.db2.gz LHHVJTJXPULAMU-CQSZACIVSA-N 1 0 390.265 2.745 20 0 GFADRO C[NH2+]CCN(C)C(=O)c1cc(I)cc(C(F)(F)F)c1 ZINC000237331411 655426085 /nfs/dbraw/zinc/42/60/85/655426085.db2.gz RWJFESVWJUTWFO-UHFFFAOYSA-N 1 0 386.155 2.601 20 0 GFADRO C[C@H](C[NH3+])N(C)C(=O)c1cc(I)cc(C(F)(F)F)c1 ZINC000237632570 655426355 /nfs/dbraw/zinc/42/63/55/655426355.db2.gz BGBOATDUVORGTK-SSDOTTSWSA-N 1 0 386.155 2.729 20 0 GFADRO CC[C@@H]1C[N@H+](C)CCN1C(=O)Cc1csc(NC(=O)c2cccs2)n1 ZINC000574234134 655426875 /nfs/dbraw/zinc/42/68/75/655426875.db2.gz ZJOVRGVIRHGXHH-CYBMUJFWSA-N 1 0 378.523 2.552 20 0 GFADRO O=C(NC[C@H](O)COc1cccc(Cl)c1Cl)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000238008691 655426974 /nfs/dbraw/zinc/42/69/74/655426974.db2.gz LGPQYQKCBCGDGO-JURCDPSOSA-N 1 0 387.307 2.770 20 0 GFADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)C[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000246097768 655428974 /nfs/dbraw/zinc/42/89/74/655428974.db2.gz AMDYNNWTDGUBRU-HZPDHXFCSA-N 1 0 375.296 2.644 20 0 GFADRO O[C@@H](COc1cc(Cl)ccc1Cl)C[N@@H+]1CCC[C@@H](C2OCCO2)C1 ZINC000246116394 655429211 /nfs/dbraw/zinc/42/92/11/655429211.db2.gz MQSFIDDVMYKBOS-TZMCWYRMSA-N 1 0 376.280 2.818 20 0 GFADRO C[N@@H+]1CCC[C@H]2CN(CN3C(=O)c4cc(Cl)c(Cl)cc4C3=O)CC[C@H]21 ZINC000246974578 655430923 /nfs/dbraw/zinc/43/09/23/655430923.db2.gz JHROAKDWWFZJLX-MEDUHNTESA-N 1 0 382.291 2.963 20 0 GFADRO C[C@@H]1CN(C(=O)Nc2ccc(I)cc2F)C[C@@]1(C)C[NH3+] ZINC000574824495 655431420 /nfs/dbraw/zinc/43/14/20/655431420.db2.gz XRMCXSZTKAGNDK-YMTOWFKASA-N 1 0 391.228 2.879 20 0 GFADRO CCC[N@H+](CC)C[C@H](C)NS(=O)(=O)c1cc(Cl)ccc1C(=O)OC ZINC000574946140 655433481 /nfs/dbraw/zinc/43/34/81/655433481.db2.gz RTXAVTIQKLHZFU-LBPRGKRZSA-N 1 0 376.906 2.525 20 0 GFADRO Cc1cc(NC(=O)C(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)cc(C)c1Br ZINC000575077916 655435126 /nfs/dbraw/zinc/43/51/26/655435126.db2.gz WEKSRKQAJHPTJG-GOSISDBHSA-N 1 0 394.313 2.559 20 0 GFADRO CN(C)S(=O)(=O)N1CCC[C@@H]([NH2+][C@@H]2CCSc3c(Cl)cccc32)C1 ZINC000575111904 655435823 /nfs/dbraw/zinc/43/58/23/655435823.db2.gz QGODJNIJVHNCMV-IUODEOHRSA-N 1 0 389.974 2.737 20 0 GFADRO Cc1cc(OC[C@@H](O)C[NH2+][C@H](C)CS(C)(=O)=O)c(C(C)C)cc1Cl ZINC000575861603 655438643 /nfs/dbraw/zinc/43/86/43/655438643.db2.gz CGIZGXXGMBBOHZ-KGLIPLIRSA-N 1 0 377.934 2.534 20 0 GFADRO C[NH+]1CCC(N(Cc2ccccc2Br)C(=O)c2ccncn2)CC1 ZINC000575915870 655439872 /nfs/dbraw/zinc/43/98/72/655439872.db2.gz BKCGGQHOLTZQGF-UHFFFAOYSA-N 1 0 389.297 2.976 20 0 GFADRO CN(Cc1ccccc1Br)C(=O)CN(CC[NH3+])Cc1ccccc1 ZINC000261542511 655441323 /nfs/dbraw/zinc/44/13/23/655441323.db2.gz OZHOVQDLXGNAOC-UHFFFAOYSA-N 1 0 390.325 2.868 20 0 GFADRO CC(C)[N@H+](C)C[C@@H](C)NC(=O)C(=O)Nc1cc2c(cc1Br)CCC2 ZINC000576035650 655442307 /nfs/dbraw/zinc/44/23/07/655442307.db2.gz PUVSQXHBJNHWMD-GFCCVEGCSA-N 1 0 396.329 2.721 20 0 GFADRO O=C(NCC1C[NH2+]C1)[C@H](Oc1cccc(Br)c1)c1ccccc1 ZINC000262006324 655443344 /nfs/dbraw/zinc/44/33/44/655443344.db2.gz IKXGZHFSHKKVLJ-QGZVFWFLSA-N 1 0 375.266 2.905 20 0 GFADRO C[C@H]1C[NH2+]CC[C@H]1NS(=O)(=O)c1cc(Cl)c(Br)cc1F ZINC000262756979 655446984 /nfs/dbraw/zinc/44/69/84/655446984.db2.gz IEHPPLVCYFSLRQ-WRWORJQWSA-N 1 0 385.686 2.518 20 0 GFADRO Cc1ccccc1C[C@@H](CO)[NH2+][C@@H](C)Cn1cc(Br)ccc1=O ZINC000576850861 655453058 /nfs/dbraw/zinc/45/30/58/655453058.db2.gz XRGLMAHRKBIBMC-YOEHRIQHSA-N 1 0 379.298 2.501 20 0 GFADRO Cc1ccccc1C[C@@H](CO)[NH2+][C@H](C)Cn1cc(Br)ccc1=O ZINC000576850856 655453087 /nfs/dbraw/zinc/45/30/87/655453087.db2.gz XRGLMAHRKBIBMC-PBHICJAKSA-N 1 0 379.298 2.501 20 0 GFADRO CC[C@H]1[NH2+]CC[C@@H]1C(=O)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000576870440 655453506 /nfs/dbraw/zinc/45/35/06/655453506.db2.gz XFDWFFKHHPRXLN-GOEBONIOSA-N 1 0 384.307 2.666 20 0 GFADRO C[NH+](C)[C@@]1(CNC(=O)Cc2noc3ccc(Br)cc32)CCSC1 ZINC000577054933 655456745 /nfs/dbraw/zinc/45/67/45/655456745.db2.gz HAEQCALTJAASCT-MRXNPFEDSA-N 1 0 398.326 2.686 20 0 GFADRO CN(CC1(c2ccc(Br)cc2)CC1)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000577368185 655457874 /nfs/dbraw/zinc/45/78/74/655457874.db2.gz FTYDDWXYAOARGF-MRXNPFEDSA-N 1 0 396.329 2.501 20 0 GFADRO C[C@@H]1CC[NH2+][C@@H](C)[C@H]1NC(=O)c1[nH]nc(-c2ccccc2)c1Br ZINC000577374620 655458083 /nfs/dbraw/zinc/45/80/83/655458083.db2.gz DGYUMSPMHWOEKQ-SUNKGSAMSA-N 1 0 377.286 2.956 20 0 GFADRO [NH3+]C[C@H]1CC[C@@H](NS(=O)(=O)Cc2cc(Cl)ccc2Br)C1 ZINC000577373428 655458176 /nfs/dbraw/zinc/45/81/76/655458176.db2.gz QRGCFOAVDRFKKY-JOYOIKCWSA-N 1 0 381.723 2.649 20 0 GFADRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)CCSc2cccc(Cl)c2)C1 ZINC000577421554 655459292 /nfs/dbraw/zinc/45/92/92/655459292.db2.gz UYOFVFNVRGKEQT-CQSZACIVSA-N 1 0 383.945 2.526 20 0 GFADRO CN(C)S(=O)(=O)N1CCCC[C@H]1C[NH2+][C@@H]1CCSc2ccc(F)cc21 ZINC000577437648 655459464 /nfs/dbraw/zinc/45/94/64/655459464.db2.gz AMCCBUBHCXHINB-GOEBONIOSA-N 1 0 387.546 2.613 20 0 GFADRO O=S(=O)(NC[C@H]1CCCC[N@@H+]1C1CC1)c1ccc(OC(F)(F)F)cc1 ZINC000577454186 655459951 /nfs/dbraw/zinc/45/99/51/655459951.db2.gz OPBVXVQXJMTZRA-CYBMUJFWSA-N 1 0 378.416 2.880 20 0 GFADRO CC[NH+]1CCN([C@H]2CCN(C(=O)COc3ccc(Cl)cc3Cl)C2)CC1 ZINC000264371607 655462040 /nfs/dbraw/zinc/46/20/40/655462040.db2.gz FAOXVYJVEPACIH-HNNXBMFYSA-N 1 0 386.323 2.611 20 0 GFADRO CN(CC[C@H]1CCCC[N@@H+]1C)Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000577581020 655462516 /nfs/dbraw/zinc/46/25/16/655462516.db2.gz UBMYRYHNHIGMMS-MRXNPFEDSA-N 1 0 393.329 2.763 20 0 GFADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)CCCSc1ccc(Cl)cc1 ZINC000264433481 655463571 /nfs/dbraw/zinc/46/35/71/655463571.db2.gz AWTSZQYOWVYXPF-INIZCTEOSA-N 1 0 383.945 2.668 20 0 GFADRO CCN1CC[NH+](CCCCNC(=O)Cc2ccccc2Br)CC1 ZINC000264463350 655464361 /nfs/dbraw/zinc/46/43/61/655464361.db2.gz YWLUPJHVFHOHDK-UHFFFAOYSA-N 1 0 382.346 2.526 20 0 GFADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)CCCOc1cccc(Cl)c1Cl ZINC000264493282 655464961 /nfs/dbraw/zinc/46/49/61/655464961.db2.gz YLNBNLUSVMIYAW-AWEZNQCLSA-N 1 0 388.339 2.905 20 0 GFADRO COC(=O)[C@]1(C)CCC[N@H+](Cn2ccc(=O)c3cccc(Br)c32)C1 ZINC000840184527 661144821 /nfs/dbraw/zinc/14/48/21/661144821.db2.gz LMOWZFZUODJWCY-GOSISDBHSA-N 1 0 393.281 2.997 20 0 GFADRO [NH3+][C@H]1CCCC[C@@H]1CC(=O)NCCCNC(=O)c1ccc(Br)cc1 ZINC000577746570 655466374 /nfs/dbraw/zinc/46/63/74/655466374.db2.gz XLUYEAVBAGNFNJ-ZBFHGGJFSA-N 1 0 396.329 2.593 20 0 GFADRO Cc1cc(CS(=O)(=O)NC[C@H](c2cccs2)[NH+]2CCC(C)CC2)no1 ZINC000264624362 655467359 /nfs/dbraw/zinc/46/73/59/655467359.db2.gz PDORMJYFLVZHFJ-MRXNPFEDSA-N 1 0 383.539 2.937 20 0 GFADRO CC1CC[NH+](CCNCc2cn(-c3ccccc3Br)nn2)CC1 ZINC000577802698 655467446 /nfs/dbraw/zinc/46/74/46/655467446.db2.gz IBUZGYSIULIEII-UHFFFAOYSA-N 1 0 378.318 2.851 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)c2c[nH]c3cccc(Br)c23)CC12CCOCC2 ZINC000577859549 655468694 /nfs/dbraw/zinc/46/86/94/655468694.db2.gz GFOPSODLMPOKCW-LBPRGKRZSA-N 1 0 392.297 2.758 20 0 GFADRO COCCN1CC[C@@H]([NH2+]Cc2nc(-c3cccc(Br)c3)c[nH]2)C1 ZINC000264769343 655470100 /nfs/dbraw/zinc/47/01/00/655470100.db2.gz QWSUSTYBJOBKPM-OAHLLOKOSA-N 1 0 379.302 2.650 20 0 GFADRO O=C(N[C@@H]1C[C@H]1C1CC[NH2+]CC1)c1cn(-c2ccc(Br)cc2)cn1 ZINC000577951878 655470177 /nfs/dbraw/zinc/47/01/77/655470177.db2.gz BFBRPKPMQQADOS-JKSUJKDBSA-N 1 0 389.297 2.753 20 0 GFADRO CCNC(=O)CCCC(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000264787652 655470468 /nfs/dbraw/zinc/47/04/68/655470468.db2.gz QTTPAPZUNGURBE-UHFFFAOYSA-N 1 0 398.345 2.646 20 0 GFADRO CC(C)N(Cc1cccc(Br)c1)C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000264795443 655470696 /nfs/dbraw/zinc/47/06/96/655470696.db2.gz SKJLTIBPXLWBMN-QGZVFWFLSA-N 1 0 397.361 2.615 20 0 GFADRO C[C@H]([NH2+]C[C@H]1CS(=O)(=O)c2ccccc2O1)c1cncc(Br)c1 ZINC000578084253 655472197 /nfs/dbraw/zinc/47/21/97/655472197.db2.gz UJOHZDFQJJTKRK-FZMZJTMJSA-N 1 0 397.294 2.730 20 0 GFADRO O=C(CCOC1C[NH2+]C1)NCCCCSc1ccccc1Br ZINC000578314801 655476517 /nfs/dbraw/zinc/47/65/17/655476517.db2.gz SMEGJUHUEDAWAO-UHFFFAOYSA-N 1 0 387.343 2.816 20 0 GFADRO O=C(Nc1cnn(-c2ncc(Cl)cc2Cl)c1)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000578422991 655478579 /nfs/dbraw/zinc/47/85/79/655478579.db2.gz TYOPYDXYTZDKLF-MNOVXSKESA-N 1 0 381.267 2.647 20 0 GFADRO CCOCCC[N@@H+]1CC[C@H](NS(=O)(=O)Cc2ccccc2Cl)[C@@H](C)C1 ZINC000265251218 655479706 /nfs/dbraw/zinc/47/97/06/655479706.db2.gz WHPGJOOVVWWMBO-YJBOKZPZSA-N 1 0 388.961 2.896 20 0 GFADRO O=C(c1cc(I)c[nH]1)N1CCC([NH+]2CCCCC2)CC1 ZINC000265263506 655479973 /nfs/dbraw/zinc/47/99/73/655479973.db2.gz UXIRADHWCAAEDY-UHFFFAOYSA-N 1 0 387.265 2.710 20 0 GFADRO O[C@@H](C[NH2+]C1CCN(Cc2ccc(Br)cc2)CC1)C(F)(F)F ZINC000578740540 655486037 /nfs/dbraw/zinc/48/60/37/655486037.db2.gz MCCZHFJHLJWWAL-AWEZNQCLSA-N 1 0 381.236 2.926 20 0 GFADRO O=C(CC[N@@H+]1CCC[C@@H](N2CCOCC2)C1)Nc1ccc(Br)cc1 ZINC000578784136 655487037 /nfs/dbraw/zinc/48/70/37/655487037.db2.gz BHDXXGTYLOCJCF-QGZVFWFLSA-N 1 0 396.329 2.574 20 0 GFADRO C[NH+](C)C/C=C/C(=O)NCC1(c2ccc(Br)cc2)CCOCC1 ZINC000265659782 655488445 /nfs/dbraw/zinc/48/84/45/655488445.db2.gz QNZGPHOVVQKLEP-ONEGZZNKSA-N 1 0 381.314 2.731 20 0 GFADRO COCC[N@H+](C)C[C@@H](O)CN1CCC[C@H]1c1ccc(Br)c(C)c1 ZINC000578903499 655488942 /nfs/dbraw/zinc/48/89/42/655488942.db2.gz KKSUSERIJCBOBI-AEFFLSMTSA-N 1 0 385.346 2.834 20 0 GFADRO O=C(N[C@@H]1C[C@H]1C1CC[NH2+]CC1)N1CCOc2ccc(Br)cc2C1 ZINC000578971111 655490511 /nfs/dbraw/zinc/49/05/11/655490511.db2.gz RWXMHCDNMOQLMM-JKSUJKDBSA-N 1 0 394.313 2.741 20 0 GFADRO CN(C[C@H](O)c1cccc(Br)c1)C(=O)NCCC[NH+]1CCCC1 ZINC000840244825 661149310 /nfs/dbraw/zinc/14/93/10/661149310.db2.gz MIPOUIYTDPPEFB-INIZCTEOSA-N 1 0 384.318 2.610 20 0 GFADRO O=C(c1cnn(-c2ccc(Br)cc2)c1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000579110626 655494077 /nfs/dbraw/zinc/49/40/77/655494077.db2.gz TZLJSUIHOHITGJ-SFHVURJKSA-N 1 0 389.297 2.851 20 0 GFADRO O=S(=O)(c1cc(Cl)ccc1Br)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000579307239 655497447 /nfs/dbraw/zinc/49/74/47/655497447.db2.gz AMJLUSPZJVXSCL-LBPRGKRZSA-N 1 0 393.734 2.961 20 0 GFADRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)N(C)Cc1c(Cl)cccc1Cl ZINC000579405726 655498980 /nfs/dbraw/zinc/49/89/80/655498980.db2.gz LTJNXGFUMJBSFS-BDJLRTHQSA-N 1 0 384.307 2.551 20 0 GFADRO Cc1cc(Br)cc2c1[C@H]([NH2+]CCNC(=O)c1cnccn1)CC2 ZINC000579425663 655499429 /nfs/dbraw/zinc/49/94/29/655499429.db2.gz DYVZPWZVKNUJHU-CQSZACIVSA-N 1 0 375.270 2.554 20 0 GFADRO O=C(CNC(=O)c1sc2ccccc2c1Cl)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000580071229 655507844 /nfs/dbraw/zinc/50/78/44/655507844.db2.gz PZOOPKHVSHEBPA-TXEJJXNPSA-N 1 0 377.897 2.637 20 0 GFADRO CCC[NH2+][C@H](C)C(=O)N1C[C@H](C(=O)OC)[C@@H](c2ccc(Br)cc2)C1 ZINC000580071375 655507943 /nfs/dbraw/zinc/50/79/43/655507943.db2.gz TULGSPLDLVOXOC-WQVCFCJDSA-N 1 0 397.313 2.552 20 0 GFADRO CC(C)C[C@H]([NH3+])c1noc(-c2cc3c(cc2Br)NC(=O)CO3)n1 ZINC000580191531 655509674 /nfs/dbraw/zinc/50/96/74/655509674.db2.gz KRFASVZFTAFTCW-JTQLQIEISA-N 1 0 381.230 2.876 20 0 GFADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)N(C)C[C@H](O)c1cccc(Br)c1 ZINC000840322634 661154205 /nfs/dbraw/zinc/15/42/05/661154205.db2.gz YICREIICSZMFHD-IRXDYDNUSA-N 1 0 398.345 2.998 20 0 GFADRO CC[NH+](CC)CCN(Cc1ccc(Cl)cc1)C(=O)N[C@@H](C)C[S@@](C)=O ZINC000596554673 655516707 /nfs/dbraw/zinc/51/67/07/655516707.db2.gz GITOZELGVVWQJD-ODCWNRFASA-N 1 0 387.977 2.960 20 0 GFADRO O=S(=O)(N[C@@]12CCC[C@@H]1[NH2+]CC2)c1c(Cl)cccc1Br ZINC000711639349 655522494 /nfs/dbraw/zinc/52/24/94/655522494.db2.gz KKFCFPSEZQMZFI-WCQYABFASA-N 1 0 379.707 2.665 20 0 GFADRO C[C@@H]1[C@@H](NC(=O)c2cc(Cl)ccc2I)CC[N@@H+]1C ZINC000719383986 655524402 /nfs/dbraw/zinc/52/44/02/655524402.db2.gz AQUOSCUJQRNFND-PELKAZGASA-N 1 0 378.641 2.767 20 0 GFADRO CC(C)(C[NH2+][C@@H]1CCCC[C@@H]1CNC(=O)OC(C)(C)C)CS(C)(=O)=O ZINC000723848554 655525562 /nfs/dbraw/zinc/52/55/62/655525562.db2.gz WWJTURPPGKKODZ-HUUCEWRRSA-N 1 0 376.563 2.730 20 0 GFADRO COCC[N@H+](C)CCNC(=O)N1CCC[C@H]1Cc1ccc(Br)cc1 ZINC000727033301 655540761 /nfs/dbraw/zinc/54/07/61/655540761.db2.gz QEQVWAQTJUSOQZ-KRWDZBQOSA-N 1 0 398.345 2.744 20 0 GFADRO COCC[N@@H+]1CCC[C@@H]1CNC(=S)Nc1ccc(OC(F)(F)F)cc1 ZINC000727703091 655548837 /nfs/dbraw/zinc/54/88/37/655548837.db2.gz KUGDJHMMUXJXGK-CYBMUJFWSA-N 1 0 377.432 2.982 20 0 GFADRO CC(C)C[N@H+](C)CN1C(=O)N[C@](C)(c2ccc(F)cc2Br)C1=O ZINC000727822033 655549848 /nfs/dbraw/zinc/54/98/48/655549848.db2.gz CXCUTWQWBVKVBR-MRXNPFEDSA-N 1 0 386.265 2.901 20 0 GFADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)/C=C/c1ccc(C)cc1Br ZINC000727864830 655550283 /nfs/dbraw/zinc/55/02/83/655550283.db2.gz CILVLUFAIZTAIC-KXPUMZMLSA-N 1 0 381.314 2.998 20 0 GFADRO O[C@H](COc1c(Cl)cccc1Cl)C[N@@H+]1CCCC[C@H]1C1OCCO1 ZINC000728173234 655553554 /nfs/dbraw/zinc/55/35/54/655553554.db2.gz BWXLYYCSLOZVNC-WFASDCNBSA-N 1 0 376.280 2.961 20 0 GFADRO CC[N@H+](CCNS(=O)(=O)c1c(OC)ccc2nc(Cl)ccc21)C1CC1 ZINC000728294321 655554254 /nfs/dbraw/zinc/55/42/54/655554254.db2.gz AFVVEGROCPDABM-UHFFFAOYSA-N 1 0 383.901 2.659 20 0 GFADRO O=C(/C=C/c1ccc(Br)o1)NCC1([NH+]2CCCC2)CCOCC1 ZINC000729441221 655564666 /nfs/dbraw/zinc/56/46/66/655564666.db2.gz QDAXLLZIPNUMDM-GQCTYLIASA-N 1 0 383.286 2.817 20 0 GFADRO C[C@H](Cc1ccc(Br)cc1)NC(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000729497281 655565250 /nfs/dbraw/zinc/56/52/50/655565250.db2.gz QDBUYXRBSJNNQG-KBRIMQKVSA-N 1 0 396.329 2.543 20 0 GFADRO O=C(NCCOc1cccc(Cl)c1Cl)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000729498571 655565574 /nfs/dbraw/zinc/56/55/74/655565574.db2.gz RGOGPBQRUPQAJX-OLZOCXBDSA-N 1 0 388.295 2.535 20 0 GFADRO Cc1cc(Br)cc(C)c1CNC(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000729500378 655565636 /nfs/dbraw/zinc/56/56/36/655565636.db2.gz XMEXATHPHZLQNB-JKSUJKDBSA-N 1 0 396.329 2.728 20 0 GFADRO Cc1nc(C(C)(C)[NH2+]Cn2ccc(=O)c3cccc(Br)c32)no1 ZINC000729848728 655569197 /nfs/dbraw/zinc/56/91/97/655569197.db2.gz KVYUEQSNVCYMKS-UHFFFAOYSA-N 1 0 377.242 2.938 20 0 GFADRO CC(C)C(=O)N1CC[NH+](Cn2ccc(=O)c3cccc(Br)c32)CC1 ZINC000729847132 655569211 /nfs/dbraw/zinc/56/92/11/655569211.db2.gz JQBMSGQDKRPXEO-UHFFFAOYSA-N 1 0 392.297 2.522 20 0 GFADRO C[NH+](C)CCNC(=S)N1CCO[C@@H](c2cc(F)c(Cl)cc2Cl)C1 ZINC000730155693 655571905 /nfs/dbraw/zinc/57/19/05/655571905.db2.gz NQHQSWIXODCAST-CQSZACIVSA-N 1 0 380.316 2.942 20 0 GFADRO COC(=O)/C=C1\SCC(=O)N1CCC[N@H+](C)[C@@H](C)c1sc(C)nc1C ZINC000730264704 655572987 /nfs/dbraw/zinc/57/29/87/655572987.db2.gz LLQWTFJYPBSNJU-ZENNRRHLSA-N 1 0 383.539 2.733 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CNC(=S)NC[C@H](O)c1cccc(C(F)(F)F)c1 ZINC000730734760 655577608 /nfs/dbraw/zinc/57/76/08/655577608.db2.gz OVFXBGXEYVIIDW-GJZGRUSLSA-N 1 0 375.460 2.687 20 0 GFADRO O=S(=O)(/C=C\c1ccc(Br)cc1)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000731038622 655580959 /nfs/dbraw/zinc/58/09/59/655580959.db2.gz IGCSBBCAMZIEQS-YHWKNFMLSA-N 1 0 385.327 2.824 20 0 GFADRO CCNS(=O)(=O)CC[NH2+]Cc1ccc(-c2ccc(Br)cc2)o1 ZINC000731677844 655585651 /nfs/dbraw/zinc/58/56/51/655585651.db2.gz YYTKLMLGFULPOG-UHFFFAOYSA-N 1 0 387.299 2.738 20 0 GFADRO CC(C)[C@H](C[NH+](C)C)NC(=O)[C@@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000733168289 655608715 /nfs/dbraw/zinc/60/87/15/655608715.db2.gz SKJGDVLXBQNBNQ-HIFRSBDPSA-N 1 0 396.329 2.504 20 0 GFADRO CO[C@@H](CNC(=O)N(CC[NH+](C)C)Cc1cccc(Cl)c1)C(F)(F)F ZINC000733662343 655618898 /nfs/dbraw/zinc/61/88/98/655618898.db2.gz ZZUBZZTWDVRJLI-AWEZNQCLSA-N 1 0 381.826 2.991 20 0 GFADRO O=S(=O)(NC1CC[NH+](C[C@H]2CCCO2)CC1)c1c(Cl)cccc1Cl ZINC000734244057 655628525 /nfs/dbraw/zinc/62/85/25/655628525.db2.gz QCRSCYGYXUEIDU-CYBMUJFWSA-N 1 0 393.336 2.915 20 0 GFADRO O=C(/C=C\c1ccc(Br)o1)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000736233620 655660414 /nfs/dbraw/zinc/66/04/14/655660414.db2.gz ZXOGDRRUGLSOKN-QDOCKXBDSA-N 1 0 383.286 2.672 20 0 GFADRO C[C@@H]1CCC[N@@H+]1CCNC(=O)C(=O)Nc1ccc(C(F)(F)F)cc1Cl ZINC000743980341 655733438 /nfs/dbraw/zinc/73/34/38/655733438.db2.gz YZZQKJYLWVKROJ-SNVBAGLBSA-N 1 0 377.794 2.898 20 0 GFADRO OCCCC[NH+]1CCN(Cc2nnc(-c3c(Cl)cccc3Cl)o2)CC1 ZINC000746488576 655762422 /nfs/dbraw/zinc/76/24/22/655762422.db2.gz LCZRBPLBTIIQHL-UHFFFAOYSA-N 1 0 385.295 2.934 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1ccc(Cl)nc1)c1ccc(Cl)cc1 ZINC000746810844 655767371 /nfs/dbraw/zinc/76/73/71/655767371.db2.gz CXCOLAYQEVKHJF-AWEZNQCLSA-N 1 0 381.263 2.746 20 0 GFADRO Cc1cc(Br)ncc1NC(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000749410054 655804620 /nfs/dbraw/zinc/80/46/20/655804620.db2.gz LSRAICWRNMGCCK-SFHVURJKSA-N 1 0 390.281 2.728 20 0 GFADRO C[NH+](C)Cc1ccc(NC(=O)CNC(=O)c2ccc(Br)o2)cc1F ZINC000749582197 655805983 /nfs/dbraw/zinc/80/59/83/655805983.db2.gz MBKOIXMRERWLOA-UHFFFAOYSA-N 1 0 398.232 2.611 20 0 GFADRO C[NH+]1CCC(NC(=S)N2CCO[C@@H](c3ccccc3Br)C2)CC1 ZINC000751018830 655820309 /nfs/dbraw/zinc/82/03/09/655820309.db2.gz BNNDJFVAGXGCIF-MRXNPFEDSA-N 1 0 398.370 2.791 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CNC(=S)NCCC(=O)Nc1cccc(Cl)c1C ZINC000751014482 655820319 /nfs/dbraw/zinc/82/03/19/655820319.db2.gz NQOZFEVLAVUZCL-CQSZACIVSA-N 1 0 382.961 2.925 20 0 GFADRO COC(=O)c1ccc(OCC[NH2+]C[C@@H](O)c2ccccc2Br)cc1 ZINC000751572367 655831125 /nfs/dbraw/zinc/83/11/25/655831125.db2.gz BHFVFQJNOVHDAO-QGZVFWFLSA-N 1 0 394.265 2.938 20 0 GFADRO C[C@H]1C[N@H+](CN2C(=O)N[C@@](C)(c3ccc(F)cc3Br)C2=O)C[C@H]1C ZINC000751928670 655836259 /nfs/dbraw/zinc/83/62/59/655836259.db2.gz NTOKJYXDYPEURI-RVPKQNPDSA-N 1 0 398.276 2.901 20 0 GFADRO COCC[N@H+](C)CCCNC(=O)N[C@@H](C)[C@H](O)c1c(Cl)cccc1Cl ZINC000752862040 655847440 /nfs/dbraw/zinc/84/74/40/655847440.db2.gz KNMAZFZBCACUAK-LRDDRELGSA-N 1 0 392.327 2.683 20 0 GFADRO O=C(NC[C@H]1CSCCS1)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000752951573 655848712 /nfs/dbraw/zinc/84/87/12/655848712.db2.gz FGLSJHFWINWZOA-HNNXBMFYSA-N 1 0 389.656 2.886 20 0 GFADRO COC1CC[NH+](C2(CNC(=O)NC[C@@H]3CSCCS3)CCCC2)CC1 ZINC000752954407 655848715 /nfs/dbraw/zinc/84/87/15/655848715.db2.gz KXGDKQITYNZKCI-MRXNPFEDSA-N 1 0 387.615 2.558 20 0 GFADRO C[NH+]1CCC(NC(=S)N2CCC[C@H]2c2ccc(Br)cn2)CC1 ZINC000840840139 661194950 /nfs/dbraw/zinc/19/49/50/661194950.db2.gz GDVJLQLRMCDLHA-HNNXBMFYSA-N 1 0 383.359 2.950 20 0 GFADRO Cc1cc2ncn(C[C@@H](O)C[NH2+]Cc3ccc(Br)cn3)c2cc1C ZINC000754342225 655866645 /nfs/dbraw/zinc/86/66/45/655866645.db2.gz QGHNNXGSUXLSRK-INIZCTEOSA-N 1 0 389.297 2.961 20 0 GFADRO CN1CC[C@H](NC(=S)NC2CC[NH+](C)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000754693167 655871549 /nfs/dbraw/zinc/87/15/49/655871549.db2.gz UAMUQXBEGOGFKJ-DLBZAZTESA-N 1 0 384.952 2.783 20 0 GFADRO C[NH+]1CCC([C@@H]2CCN(Cn3nnn(Cc4cccs4)c3=S)C2)CC1 ZINC000755779070 655888952 /nfs/dbraw/zinc/88/89/52/655888952.db2.gz HXRFURIMQBJDKC-OAHLLOKOSA-N 1 0 378.571 2.540 20 0 GFADRO CC[N@H+](CCNC(=O)N[C@@H]1CC[C@@H]2SCCS[C@@H]12)CCC(F)(F)F ZINC000755780231 655888976 /nfs/dbraw/zinc/88/89/76/655888976.db2.gz PSDNHLZOOQBALB-AGIUHOORSA-N 1 0 385.521 2.940 20 0 GFADRO O=S1(=O)CCC(C[NH2+]Cc2c(-c3ccccc3)nc3sccn23)CC1 ZINC000755851507 655889976 /nfs/dbraw/zinc/88/99/76/655889976.db2.gz KLILXWKCLBKTNP-UHFFFAOYSA-N 1 0 375.519 2.977 20 0 GFADRO Cc1ccc(N2N=C(Br)C[C@@H]2C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000756097313 655894751 /nfs/dbraw/zinc/89/47/51/655894751.db2.gz KLRSBLWFSUXUIO-CZUORRHYSA-N 1 0 391.313 2.635 20 0 GFADRO CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CC(Br)=NN2c2ccc(C)cc2)C1 ZINC000756099648 655894863 /nfs/dbraw/zinc/89/48/63/655894863.db2.gz QMMRZLVAQYDINF-HOCLYGCPSA-N 1 0 393.329 2.740 20 0 GFADRO COC(=O)c1cc(S(=O)(=O)NCC[N@H+]2[C@H](C)CCC[C@@H]2C)ccc1Cl ZINC000757489984 655912409 /nfs/dbraw/zinc/91/24/09/655912409.db2.gz DLHHTLKCDFLYHA-BETUJISGSA-N 1 0 388.917 2.668 20 0 GFADRO COC(=O)c1cc(S(=O)(=O)NCC[N@H+](C)C2CCCCC2)ccc1Cl ZINC000757491764 655912416 /nfs/dbraw/zinc/91/24/16/655912416.db2.gz PFGVZUZJQZVWBF-UHFFFAOYSA-N 1 0 388.917 2.669 20 0 GFADRO CC(C)(C)OC(=O)N1CC[C@H](CC[NH2+]Cc2ccc(S(C)(=O)=O)s2)C1 ZINC000840895728 661202569 /nfs/dbraw/zinc/20/25/69/661202569.db2.gz ULSGZSRAHQFDJU-ZDUSSCGKSA-N 1 0 388.555 2.888 20 0 GFADRO O=C(c1cccnc1I)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000758108333 655923052 /nfs/dbraw/zinc/92/30/52/655923052.db2.gz FXJQPZDGBXFAGS-ZDUSSCGKSA-N 1 0 399.276 2.777 20 0 GFADRO O=CN1CCC([NH2+]C2CCN(Cc3cccc(Br)c3)CC2)CC1 ZINC000840898025 661203982 /nfs/dbraw/zinc/20/39/82/661203982.db2.gz WWFLJEJUSIGMRZ-UHFFFAOYSA-N 1 0 380.330 2.624 20 0 GFADRO CN(C)c1ncc(C[NH2+]C[C@@](O)(c2ccc(Cl)cc2)C(F)(F)F)n1C ZINC000840906536 661204585 /nfs/dbraw/zinc/20/45/85/661204585.db2.gz ZLSFGNYWYXPEHT-OAHLLOKOSA-N 1 0 376.810 2.679 20 0 GFADRO C[C@H](CNC(=O)c1ccc(Br)cc1-n1cncn1)[NH+]1CCCCC1 ZINC000758583385 655936482 /nfs/dbraw/zinc/93/64/82/655936482.db2.gz UPVFZZOYOCBMQX-CYBMUJFWSA-N 1 0 392.301 2.634 20 0 GFADRO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)c1cnn(-c2ccccc2)c1Br ZINC000760254407 655973747 /nfs/dbraw/zinc/97/37/47/655973747.db2.gz DYUMLBQEHBOLDG-CQSZACIVSA-N 1 0 389.297 2.849 20 0 GFADRO Cn1ncc(C(=O)N2CC[C@H]([N@H+](C)Cc3ccccc3)C2)c1Br ZINC000760327170 655976265 /nfs/dbraw/zinc/97/62/65/655976265.db2.gz ORSHZPXPJNHOOE-AWEZNQCLSA-N 1 0 377.286 2.529 20 0 GFADRO C[NH+](C)CC1(CNC(=O)c2cccnc2I)CCCC1 ZINC000760449108 655981400 /nfs/dbraw/zinc/98/14/00/655981400.db2.gz AJACJUNDCQJETH-UHFFFAOYSA-N 1 0 387.265 2.538 20 0 GFADRO C[NH+]1CCC(CNC(=S)NC[C@H](O)c2ccccc2C(F)(F)F)CC1 ZINC000760474968 655981976 /nfs/dbraw/zinc/98/19/76/655981976.db2.gz FRWIAELCQCBTAM-HNNXBMFYSA-N 1 0 375.460 2.545 20 0 GFADRO O=C(CCCC[NH+]1CCCC1)NC[C@@H](CO)Cc1ccccc1Br ZINC000760573972 655985560 /nfs/dbraw/zinc/98/55/60/655985560.db2.gz CZKXSAVYTCRNDQ-INIZCTEOSA-N 1 0 397.357 2.982 20 0 GFADRO C[C@@H](CN1C(=O)N[C@@](C)(c2cccc(Br)c2)C1=O)C[NH+]1CCCC1 ZINC000761102791 655998269 /nfs/dbraw/zinc/99/82/69/655998269.db2.gz ZOSDUGJEKVUEDV-ACJLOTCBSA-N 1 0 394.313 2.948 20 0 GFADRO CCN(C(=O)c1cnn(C)c1Br)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000761177548 656002309 /nfs/dbraw/zinc/00/23/09/656002309.db2.gz NHCAWBUEGBVVOF-HNNXBMFYSA-N 1 0 391.313 2.919 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@H](N2C(=O)N[C@H](c3ccc(Br)cc3)C2=O)C1 ZINC000761321486 656011540 /nfs/dbraw/zinc/01/15/40/656011540.db2.gz QUZMIVGWJZUYJI-QLFBSQMISA-N 1 0 380.286 2.915 20 0 GFADRO C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1[NH2+]Cc1ccc(S(C)(=O)=O)s1 ZINC000840942233 661213795 /nfs/dbraw/zinc/21/37/95/661213795.db2.gz WGCSXIAHHCZXTD-GXTWGEPZSA-N 1 0 388.555 2.887 20 0 GFADRO Cc1cc(S(=O)(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cnc1Cl ZINC000761940147 656025625 /nfs/dbraw/zinc/02/56/25/656025625.db2.gz MAYXGXLUXPAZSG-MRXNPFEDSA-N 1 0 379.913 2.938 20 0 GFADRO C[C@H]1C[N@H+](CCCNCc2ccccc2I)CCCO1 ZINC000762483023 656043890 /nfs/dbraw/zinc/04/38/90/656043890.db2.gz VNIINERUMQKHFO-AWEZNQCLSA-N 1 0 388.293 2.882 20 0 GFADRO O=C(NCC[N@@H+]1CCc2ccccc2C1)N[C@@H]1CC[C@H]2SCCS[C@H]12 ZINC000762532515 656047061 /nfs/dbraw/zinc/04/70/61/656047061.db2.gz FIPWCHYUUOIFKS-KZNAEPCWSA-N 1 0 377.579 2.724 20 0 GFADRO CC1=CC[N@H+](CCNC(=O)/C=C\c2ccc(I)o2)CC1 ZINC000762707879 656056724 /nfs/dbraw/zinc/05/67/24/656056724.db2.gz UCGIUAORCHBVNS-HYXAFXHYSA-N 1 0 386.233 2.666 20 0 GFADRO Cc1sc(Cl)nc1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000762902021 656063286 /nfs/dbraw/zinc/06/32/86/656063286.db2.gz UPJBNLILTJVRDZ-CABCVRRESA-N 1 0 379.913 2.718 20 0 GFADRO Cc1nn(-c2ccccn2)c(Cl)c1C[NH2+]CC1(CS(C)(=O)=O)CCC1 ZINC000840974937 661223152 /nfs/dbraw/zinc/22/31/52/661223152.db2.gz KBAIZLBTLHCIGB-UHFFFAOYSA-N 1 0 382.917 2.534 20 0 GFADRO CC(C)[C@@H](C[NH+](C)C)NC(=O)c1ccc(F)c(I)c1 ZINC000763386429 656081890 /nfs/dbraw/zinc/08/18/90/656081890.db2.gz LFWGNSIQPOCVKS-CYBMUJFWSA-N 1 0 378.229 2.746 20 0 GFADRO O=S1(=O)CCCN1c1ccc(C[NH2+][C@@H]2CC[C@H]3SCCS[C@H]23)cc1 ZINC000763561231 656086001 /nfs/dbraw/zinc/08/60/01/656086001.db2.gz GIPAYCPRUNECPR-BRWVUGGUSA-N 1 0 384.592 2.696 20 0 GFADRO COc1ccc(C(=O)NCC[N@@H+]2CCC[C@H]2C)cc1I ZINC000763763207 656092530 /nfs/dbraw/zinc/09/25/30/656092530.db2.gz DPUMVHGECFWFDT-LLVKDONJSA-N 1 0 388.249 2.514 20 0 GFADRO O=C([C@H](O)c1cc(Cl)cc(Cl)c1)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000764923953 656123535 /nfs/dbraw/zinc/12/35/35/656123535.db2.gz WMAMZNIGLWGRRX-DLBZAZTESA-N 1 0 387.307 2.740 20 0 GFADRO COCCOC[C@H](C)[NH2+][C@@H]1CCN(c2ccc(Br)c(C)c2)C1=O ZINC000764940997 656124000 /nfs/dbraw/zinc/12/40/00/656124000.db2.gz RXSDTUCCLBHRSS-XJKSGUPXSA-N 1 0 385.302 2.504 20 0 GFADRO C[N@@H+]1CCC[C@@H]2CN(Cn3c4ccc(Br)cc4oc3=O)CC[C@H]21 ZINC000765106911 656132023 /nfs/dbraw/zinc/13/20/23/656132023.db2.gz PURAWBOZPYGYEU-TZMCWYRMSA-N 1 0 380.286 2.731 20 0 GFADRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NS(=O)(=O)/C=C\c1ccccc1Br ZINC000765209809 656137304 /nfs/dbraw/zinc/13/73/04/656137304.db2.gz VJGGKHRJGLGGKT-ICIPHMPKSA-N 1 0 385.327 2.822 20 0 GFADRO C[NH+](C)CCNC(=S)N1CCN(CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000765519717 656144692 /nfs/dbraw/zinc/14/46/92/656144692.db2.gz PTVDDXMGSPOPLM-UHFFFAOYSA-N 1 0 389.396 2.590 20 0 GFADRO CC(C)(C)SCCNC(=O)C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000841030957 661229512 /nfs/dbraw/zinc/22/95/12/661229512.db2.gz PZFYXNFWSUFJSO-UHFFFAOYSA-N 1 0 377.432 2.751 20 0 GFADRO COc1cc([C@H](C)[NH2+]CC2(O)CCS(=O)(=O)CC2)ccc1SC(F)F ZINC000766144054 656163011 /nfs/dbraw/zinc/16/30/11/656163011.db2.gz KBMGHFBAIZRSHV-NSHDSACASA-N 1 0 395.493 2.600 20 0 GFADRO COc1cc([C@H](C)N[C@H]2CC[N@H+](C)[C@H](C)C2)ccc1S(=O)(=O)C(F)F ZINC000766166801 656163399 /nfs/dbraw/zinc/16/33/99/656163399.db2.gz UETOMYAMDVRFEK-DYEKYZERSA-N 1 0 376.469 2.825 20 0 GFADRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)Nc2ccc(Br)nc2)C1 ZINC000766163727 656163477 /nfs/dbraw/zinc/16/34/77/656163477.db2.gz JVQBBRIHVMPRCA-CQSZACIVSA-N 1 0 385.306 2.809 20 0 GFADRO CC[C@@H]([NH2+]C[C@@H](O)c1cnn(C)c1)c1ccc(I)cc1 ZINC000766186951 656164400 /nfs/dbraw/zinc/16/44/00/656164400.db2.gz ZGNJZHGBWYKCHS-HUUCEWRRSA-N 1 0 385.249 2.799 20 0 GFADRO CC[N@@H+]1C[C@@H](C)N(C(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)C[C@@H]1C ZINC000766310726 656168360 /nfs/dbraw/zinc/16/83/60/656168360.db2.gz KZHOJEPLAXXTSS-NWDGAFQWSA-N 1 0 375.441 2.629 20 0 GFADRO COc1cc(C)ccc1[C@H](C)[NH2+]C1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000766561980 656175873 /nfs/dbraw/zinc/17/58/73/656175873.db2.gz GJYINXCVTOTWLW-LBPRGKRZSA-N 1 0 380.432 2.968 20 0 GFADRO CCC[NH2+]CCNC(=O)Nc1cnc(Br)c(Br)c1 ZINC000841142426 661237455 /nfs/dbraw/zinc/23/74/55/661237455.db2.gz OIIIWJZQIUVNSR-UHFFFAOYSA-N 1 0 380.084 2.728 20 0 GFADRO CC1([NH3+])CCN(C(=O)Nc2cnc(Br)c(Br)c2)CC1 ZINC000841142480 661237555 /nfs/dbraw/zinc/23/75/55/661237555.db2.gz QFPXPARNZTUDMP-UHFFFAOYSA-N 1 0 392.095 2.952 20 0 GFADRO COc1cc(S(=O)(=O)NCCCC[NH+]2CCC(C)CC2)cnc1Cl ZINC000767704994 656215734 /nfs/dbraw/zinc/21/57/34/656215734.db2.gz HIPQFFWKKMXQGK-UHFFFAOYSA-N 1 0 375.922 2.534 20 0 GFADRO CN(C(=O)C(=O)Nc1ccc2cc(Br)ccc2c1)C1CC[NH2+]CC1 ZINC000841155436 661239452 /nfs/dbraw/zinc/23/94/52/661239452.db2.gz XLPOYCCTTZPPLF-UHFFFAOYSA-N 1 0 390.281 2.751 20 0 GFADRO Cc1nc(Br)sc1C(=O)N1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000841158648 661239768 /nfs/dbraw/zinc/23/97/68/661239768.db2.gz XBJUVWJMCDGGCW-QJPTWQEYSA-N 1 0 388.331 2.538 20 0 GFADRO CN(C(=O)Nc1cc(Br)cnc1-n1cccn1)C1CCC([NH3+])CC1 ZINC000841186748 661242477 /nfs/dbraw/zinc/24/24/77/661242477.db2.gz LYPSMFYIHJDRJW-UHFFFAOYSA-N 1 0 393.289 2.763 20 0 GFADRO CC1(C)CN(C(=O)C(=O)Nc2cccc(Cl)c2SC(F)F)CC[NH2+]1 ZINC000841265882 661250323 /nfs/dbraw/zinc/25/03/23/661250323.db2.gz QARZBOQPIDBFCJ-UHFFFAOYSA-N 1 0 377.844 2.804 20 0 GFADRO CN(C(=O)C(=O)Nc1ccc(Br)c(Cl)c1)C1CCC([NH3+])CC1 ZINC000841188239 661243021 /nfs/dbraw/zinc/24/30/21/661243021.db2.gz HTFUZSKJNKNYRQ-UHFFFAOYSA-N 1 0 388.693 2.769 20 0 GFADRO O=C(Nc1cccc(Cl)c1SC(F)F)C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000841248688 661249049 /nfs/dbraw/zinc/24/90/49/661249049.db2.gz FOOAQNFSIHIFAE-ONGXEEELSA-N 1 0 389.855 2.804 20 0 GFADRO O=C(OCC[NH+]1CCCCC1)c1ccc(N2CCCS2(=O)=O)cc1Cl ZINC000770376561 656317545 /nfs/dbraw/zinc/31/75/45/656317545.db2.gz XXVOXNSUNHZOMS-UHFFFAOYSA-N 1 0 386.901 2.523 20 0 GFADRO CCC[NH+]1CCC(CNC(=O)c2cccnc2I)CC1 ZINC000770484960 656320482 /nfs/dbraw/zinc/32/04/82/656320482.db2.gz VZDPGOQXBHROAR-UHFFFAOYSA-N 1 0 387.265 2.538 20 0 GFADRO C[C@H](CNC(=O)c1cccnc1I)[N@@H+]1CCC[C@H](C)C1 ZINC000770553767 656323148 /nfs/dbraw/zinc/32/31/48/656323148.db2.gz ZFAUWTXGAHVXJA-NWDGAFQWSA-N 1 0 387.265 2.536 20 0 GFADRO [NH3+]CC[C@@H](NC(=O)NCC[C@H](O)c1ccc(Cl)c(Cl)c1)C(F)(F)F ZINC000841333662 661252542 /nfs/dbraw/zinc/25/25/42/661252542.db2.gz OXNVPEYOSXMILE-NWDGAFQWSA-N 1 0 388.217 2.996 20 0 GFADRO CC(C)[C@@H](C[NH+](C)C)NC(=O)c1cc(=O)c2cc(Br)ccc2o1 ZINC000841397164 661259908 /nfs/dbraw/zinc/25/99/08/661259908.db2.gz WTYFZTVUQNAYQY-CYBMUJFWSA-N 1 0 381.270 2.872 20 0 GFADRO COCC[N@@H+]1CCC[C@@H](NC(=O)C[C@@H](O)c2cc(Cl)cc(Cl)c2)C1 ZINC000772661216 656385125 /nfs/dbraw/zinc/38/51/25/656385125.db2.gz QACFHPNZJSNCBP-HZPDHXFCSA-N 1 0 375.296 2.644 20 0 GFADRO C=CC(=O)NCCC(=O)N(CCC[NH+](C)C)Cc1ccc(Cl)c(Cl)c1 ZINC000772784780 656389566 /nfs/dbraw/zinc/38/95/66/656389566.db2.gz ZMFBULVQYRTPAT-UHFFFAOYSA-N 1 0 386.323 2.966 20 0 GFADRO CCNS(=O)(=O)CC[NH2+][C@@H]1CCc2c1cc(Br)cc2Cl ZINC000772978258 656396059 /nfs/dbraw/zinc/39/60/59/656396059.db2.gz MAXSNPGQRCGFLP-CYBMUJFWSA-N 1 0 381.723 2.619 20 0 GFADRO COc1ccc(CC[C@@H](C)[NH2+]CCNS(=O)(=O)c2ccc(C)s2)cc1 ZINC000773073469 656398779 /nfs/dbraw/zinc/39/87/79/656398779.db2.gz DDASUCZPRPOTLU-CQSZACIVSA-N 1 0 382.551 2.954 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCO[C@@]2(CCOC2)C1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000773151007 656401544 /nfs/dbraw/zinc/40/15/44/656401544.db2.gz PFIKMOZWCBQFCG-QEORTHHSSA-N 1 0 375.437 2.672 20 0 GFADRO CCOC(=O)[C@@]1(C(C)C)CCN(Cn2nc(NCCOC)sc2=S)C1 ZINC000773324264 656411813 /nfs/dbraw/zinc/41/18/13/656411813.db2.gz ASCQSOVTCZOCGZ-INIZCTEOSA-N 1 0 388.559 2.601 20 0 GFADRO CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)C1SCCCS1 ZINC000841408832 661261820 /nfs/dbraw/zinc/26/18/20/661261820.db2.gz ZQAJWZNEFHBZSA-UHFFFAOYSA-N 1 0 385.643 2.837 20 0 GFADRO C[NH+](C)[C@]1(CNC(=O)N2CC=C(c3ccc(Cl)nc3)CC2)CCSC1 ZINC000773606350 656461962 /nfs/dbraw/zinc/46/19/62/656461962.db2.gz JUNPOLLAKCAZEQ-SFHVURJKSA-N 1 0 380.945 2.971 20 0 GFADRO CC[C@H]1Cc2c(Br)cccc2C[N@@H+]1CCCOC(=O)NC(N)=O ZINC000773923665 656478406 /nfs/dbraw/zinc/47/84/06/656478406.db2.gz IZKLIDSLHHPGSR-LBPRGKRZSA-N 1 0 384.274 2.781 20 0 GFADRO O=S(=O)(CC[NH2+][C@H](c1ccc(Cl)c(Cl)c1)C1CC1)N1CCOCC1 ZINC000774428083 656527563 /nfs/dbraw/zinc/52/75/63/656527563.db2.gz BYXQEPSOOVYLNY-INIZCTEOSA-N 1 0 393.336 2.696 20 0 GFADRO O=S1(=O)CC[C@@H](C[NH2+]Cc2nc3ccc(Br)cc3s2)C1 ZINC000774951453 656574893 /nfs/dbraw/zinc/57/48/93/656574893.db2.gz SBCMKJOTLJPHOQ-VIFPVBQESA-N 1 0 375.313 2.583 20 0 GFADRO Cc1cc(Br)cc(C[NH2+]C2CCN(CCC(=O)N(C)C)CC2)c1 ZINC000774991695 656582203 /nfs/dbraw/zinc/58/22/03/656582203.db2.gz JFLRKIWXBOAHIU-UHFFFAOYSA-N 1 0 382.346 2.790 20 0 GFADRO Cc1cc(Br)cc(C[NH2+]C[C@H]2CCC[C@H]2NS(C)(=O)=O)c1 ZINC000775004517 656584979 /nfs/dbraw/zinc/58/49/79/656584979.db2.gz OYZDRZCRYDJVQL-UKRRQHHQSA-N 1 0 375.332 2.565 20 0 GFADRO C[C@@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)C[C@H](O)c1ccc(F)cc1Cl ZINC000775566166 656650284 /nfs/dbraw/zinc/65/02/84/656650284.db2.gz UFSBBNBQDQLDNR-GTNSWQLSSA-N 1 0 386.876 2.853 20 0 GFADRO O=C([C@@H]1CCC[N@@H+](C[C@@H](O)c2ccc(F)c(Br)c2)C1)N1CCCC1 ZINC000775602075 656654025 /nfs/dbraw/zinc/65/40/25/656654025.db2.gz LQCMKZXZDISRAT-RHSMWYFYSA-N 1 0 399.304 2.956 20 0 GFADRO COCC[N@@H+]1CC[C@H](NC(=O)Nc2nnc(-c3cccc(Cl)c3)s2)C1 ZINC000775820116 656683030 /nfs/dbraw/zinc/68/30/30/656683030.db2.gz NRQJQIIICVJGPF-ZDUSSCGKSA-N 1 0 381.889 2.701 20 0 GFADRO Cc1cnc(Br)cc1NC(=O)NCCCC[N@@H+]1CCC[C@H]1CO ZINC000776052361 656708635 /nfs/dbraw/zinc/70/86/35/656708635.db2.gz ITFVXRMPIMXVBM-ZDUSSCGKSA-N 1 0 385.306 2.511 20 0 GFADRO Cc1nn2c(C[NH2+][C@H](C)c3cccc(NS(C)(=O)=O)c3)c(C)nc2s1 ZINC000776068440 656710297 /nfs/dbraw/zinc/71/02/97/656710297.db2.gz ASJDYUMZWSNCNK-SNVBAGLBSA-N 1 0 379.511 2.630 20 0 GFADRO COC(=O)N1CCC([NH2+][C@H]2CCN(c3ccc(Br)cc3)C2)CC1 ZINC000776689452 656782997 /nfs/dbraw/zinc/78/29/97/656782997.db2.gz XUMQFJMVLSEYOD-HNNXBMFYSA-N 1 0 382.302 2.848 20 0 GFADRO COC(=O)N1CCC([C@H](C)[NH2+]C[C@@H](O)c2ccc(Br)cc2)CC1 ZINC000776808385 656796443 /nfs/dbraw/zinc/79/64/43/656796443.db2.gz QMBMDIGZYBTUFL-BLLLJJGKSA-N 1 0 385.302 2.939 20 0 GFADRO COC(=O)C1=C(C)O[C@H](C[N@H+](C)[C@H](CO)c2cccc(Br)c2)C1 ZINC000778223615 656870365 /nfs/dbraw/zinc/87/03/65/656870365.db2.gz MBPCXZLEMFMXHR-GOEBONIOSA-N 1 0 384.270 2.650 20 0 GFADRO Cc1ccc(/C=C\C(=O)N2CC[NH+](C(C)(C)CO)CC2)c(Br)c1 ZINC000778942822 656896398 /nfs/dbraw/zinc/89/63/98/656896398.db2.gz MAISTDIKVXYQEF-SREVYHEPSA-N 1 0 381.314 2.686 20 0 GFADRO Cc1nn(-c2cccc(Cl)c2)c(Cl)c1CN1CC[N@H+](CCO)[C@@H](C)C1 ZINC000779213435 656906578 /nfs/dbraw/zinc/90/65/78/656906578.db2.gz IYNCGVWWQZUPQA-ZDUSSCGKSA-N 1 0 383.323 2.986 20 0 GFADRO COc1ccc(Br)cc1CONC(=[NH2+])[C@H]1CN(C(C)C)CCO1 ZINC000779652393 656935887 /nfs/dbraw/zinc/93/58/87/656935887.db2.gz OVXSUSKDTRYCSY-OAHLLOKOSA-N 1 0 386.290 2.565 20 0 GFADRO CC1(C)CN(C(=S)NCCc2ccc(Cl)cc2Cl)CC[N@@H+]1CCO ZINC000780225480 656992027 /nfs/dbraw/zinc/99/20/27/656992027.db2.gz OSPQWLKFSRDRCG-UHFFFAOYSA-N 1 0 390.380 2.799 20 0 GFADRO C[NH+]1CCC(C)(CNC(=O)/C=C/c2ccc(I)o2)CC1 ZINC000780741608 657026428 /nfs/dbraw/zinc/02/64/28/657026428.db2.gz FGXQNEQQRCMWND-GQCTYLIASA-N 1 0 388.249 2.746 20 0 GFADRO C[N@@H+]1CCCC[C@@H]1CCOC(=O)c1cc2c(cc1Br)NC(=O)CO2 ZINC000782405370 657139919 /nfs/dbraw/zinc/13/99/19/657139919.db2.gz QFEJKOCTPIPUID-LLVKDONJSA-N 1 0 397.269 2.811 20 0 GFADRO C[C@H]1CN(Cc2ccccc2I)CC[N@@H+]1CC(C)(C)O ZINC000783723934 657254359 /nfs/dbraw/zinc/25/43/59/657254359.db2.gz RUKIXMLSNIGPPE-ZDUSSCGKSA-N 1 0 388.293 2.568 20 0 GFADRO CSc1nc2ccc(NC(=O)C(=O)N(C)CC[NH+]3CCCC3)cc2s1 ZINC000783980367 657279680 /nfs/dbraw/zinc/27/96/80/657279680.db2.gz SMJCJNWSHRBUDD-UHFFFAOYSA-N 1 0 378.523 2.511 20 0 GFADRO C[NH+]1CCC(CNC(=S)NCCN2CCc3c(Cl)cccc3C2)CC1 ZINC000785475579 657367032 /nfs/dbraw/zinc/36/70/32/657367032.db2.gz OUMICAFTHYHFRL-UHFFFAOYSA-N 1 0 380.989 2.504 20 0 GFADRO Cc1nn(Cc2c(Cl)cccc2Cl)c(Cl)c1C[NH2+]C[C@@H](O)CO ZINC000785981215 657398790 /nfs/dbraw/zinc/39/87/90/657398790.db2.gz PVQOJFWKFMIBBB-SNVBAGLBSA-N 1 0 378.687 2.643 20 0 GFADRO CCc1ccc([C@H](CNC(=O)c2ncc(Br)cn2)[NH+](C)C)cc1 ZINC000786997649 657503009 /nfs/dbraw/zinc/50/30/09/657503009.db2.gz FOYRUVRRYJNTPV-HNNXBMFYSA-N 1 0 377.286 2.834 20 0 GFADRO O=S(=O)(NCC[NH2+][C@@H]1CCc2ccc(Cl)nc21)c1cccc(Cl)c1 ZINC000787751389 657593869 /nfs/dbraw/zinc/59/38/69/657593869.db2.gz LSQYPJBMLBJJMH-CQSZACIVSA-N 1 0 386.304 2.944 20 0 GFADRO COc1cc(C(=O)NCC[N@H+](C)Cc2ccccc2)cnc1Br ZINC000788176408 657666994 /nfs/dbraw/zinc/66/69/94/657666994.db2.gz WSMWVHBKBXAMPE-UHFFFAOYSA-N 1 0 378.270 2.715 20 0 GFADRO COc1cc(C(=O)N2CC[NH+](C3CCCCC3)CC2)cnc1Br ZINC000788233487 657680335 /nfs/dbraw/zinc/68/03/35/657680335.db2.gz VZRVZJMUVTXTHQ-UHFFFAOYSA-N 1 0 382.302 2.943 20 0 GFADRO O=C(c1cc(Br)n[nH]1)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000788297608 657692407 /nfs/dbraw/zinc/69/24/07/657692407.db2.gz ZNWYLVYBBLLPAB-UHFFFAOYSA-N 1 0 391.313 2.953 20 0 GFADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@H](C)[C@H](O)c1cccc(F)c1 ZINC000788666791 657768005 /nfs/dbraw/zinc/76/80/05/657768005.db2.gz SSWBWVGIFWKXFE-QFSBIZTOSA-N 1 0 383.261 2.850 20 0 GFADRO C[NH+](C)Cc1ccc(S(=O)(=O)NC[C@](C)(O)c2ccccc2Cl)cc1 ZINC000788669935 657769005 /nfs/dbraw/zinc/76/90/05/657769005.db2.gz QHTRPSFFQFTMNT-SFHVURJKSA-N 1 0 382.913 2.588 20 0 GFADRO C[NH+](C)CCNC(=S)N[C@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O ZINC000788685480 657773685 /nfs/dbraw/zinc/77/36/85/657773685.db2.gz MUQFGQRNSKIVBT-ZDUSSCGKSA-N 1 0 389.352 2.515 20 0 GFADRO CCS(=O)(=O)CCCCC[N@@H+]1CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000789349048 657840186 /nfs/dbraw/zinc/84/01/86/657840186.db2.gz ZRMFFUILYZFCAD-JKSUJKDBSA-N 1 0 376.563 2.827 20 0 GFADRO COc1nc(Br)ccc1NC(=O)N1CCCC12CC[NH+](C)CC2 ZINC000789377587 657844141 /nfs/dbraw/zinc/84/41/41/657844141.db2.gz AVSQJKUSJGDTAA-UHFFFAOYSA-N 1 0 383.290 2.945 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)c1nc(Br)ccc1Br)C1CC1 ZINC000790364183 657959649 /nfs/dbraw/zinc/95/96/49/657959649.db2.gz BSFNOPLNOAKGMT-SNVBAGLBSA-N 1 0 391.107 2.677 20 0 GFADRO Cc1nn(C)c(C[NH2+]C[C@@H](C)CNC(=O)OC(C)(C)C)c1Br ZINC000790477558 657990035 /nfs/dbraw/zinc/99/00/35/657990035.db2.gz FPECEBSUKOGTBD-SNVBAGLBSA-N 1 0 375.311 2.741 20 0 GFADRO CC[NH+](CC)C[C@@H](C)NS(=O)(=O)c1c(OC)ccc2nc(Cl)ccc21 ZINC000790880903 658040114 /nfs/dbraw/zinc/04/01/14/658040114.db2.gz SPWFJFUXCROBFG-GFCCVEGCSA-N 1 0 385.917 2.905 20 0 GFADRO O=C(Cc1cccnc1Br)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000791317586 658079863 /nfs/dbraw/zinc/07/98/63/658079863.db2.gz YNFTVVXSMPJTEY-UHFFFAOYSA-N 1 0 388.309 2.951 20 0 GFADRO O=C(NC1CC[NH+](Cc2ccncc2)CC1)c1nc(Br)ccc1F ZINC000792064332 658227044 /nfs/dbraw/zinc/22/70/44/658227044.db2.gz XCGLEOCUYPXLMR-UHFFFAOYSA-N 1 0 393.260 2.773 20 0 GFADRO O=C(NOCCC(F)(F)F)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000792185332 658247020 /nfs/dbraw/zinc/24/70/20/658247020.db2.gz GSJOVTSFCNOODH-UHFFFAOYSA-N 1 0 377.329 2.975 20 0 GFADRO COc1ccc([C@H](C[NH+](C)C)NC(=O)c2[nH]nc(C)c2Br)cc1 ZINC000793514281 658402865 /nfs/dbraw/zinc/40/28/65/658402865.db2.gz BWVQPFZYPUCOSC-ZDUSSCGKSA-N 1 0 381.274 2.522 20 0 GFADRO COC(=O)c1ccc(C[NH2+][C@H]2CCCN(C(=O)OC)C2)c(Br)c1 ZINC000793583770 658411478 /nfs/dbraw/zinc/41/14/78/658411478.db2.gz ICICNBMZFBPSCC-ZDUSSCGKSA-N 1 0 385.258 2.556 20 0 GFADRO O=C(Nc1cccc(C[N@H+]2CC[C@H](O)C2)c1)c1nc(Br)cs1 ZINC000794588814 658569999 /nfs/dbraw/zinc/56/99/99/658569999.db2.gz XCSILRGMZSXRPP-LBPRGKRZSA-N 1 0 382.283 2.725 20 0 GFADRO CCS[C@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1ccccc1S(=O)(=O)C(F)F ZINC000794605925 658575910 /nfs/dbraw/zinc/57/59/10/658575910.db2.gz UDSOPJJJBLQHDS-AAEUAGOBSA-N 1 0 392.493 2.885 20 0 GFADRO O=c1oc2cccc(Br)c2n1CN1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000794631572 658583791 /nfs/dbraw/zinc/58/37/91/658583791.db2.gz GPASRFALOQLZJT-ZDUSSCGKSA-N 1 0 380.286 2.732 20 0 GFADRO C[C@@H]([NH2+][C@@H](C)Cc1cnccn1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000794807600 658616836 /nfs/dbraw/zinc/61/68/36/658616836.db2.gz ZQGKGTNNLJILJB-VHSXEESVSA-N 1 0 389.308 2.713 20 0 GFADRO CC[NH+]1CCN(c2ccc(C(=O)OCc3cc(Br)no3)cc2)CC1 ZINC000795428727 658817328 /nfs/dbraw/zinc/81/73/28/658817328.db2.gz BAZZKPDNITVPQL-UHFFFAOYSA-N 1 0 394.269 2.936 20 0 GFADRO CC[C@@H]([NH2+]C[C@H](OC)C(F)(F)F)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000795811530 658853968 /nfs/dbraw/zinc/85/39/68/658853968.db2.gz NHRUQPWJRHOXLO-YPMHNXCESA-N 1 0 388.839 2.866 20 0 GFADRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F ZINC000796110760 658892868 /nfs/dbraw/zinc/89/28/68/658892868.db2.gz BPRKVFHWMYIOOB-RKDXNWHRSA-N 1 0 384.370 2.629 20 0 GFADRO Cc1nn(-c2ccccn2)c(Cl)c1C[NH2+][C@H]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000796310601 658912091 /nfs/dbraw/zinc/91/20/91/658912091.db2.gz BBSCBOWSIBKXPF-UONOGXRCSA-N 1 0 382.917 2.675 20 0 GFADRO CCCCn1nc(C)c(C[NH2+]C[C@H]2CCCCN2S(C)(=O)=O)c1Cl ZINC000796513127 658921116 /nfs/dbraw/zinc/92/11/16/658921116.db2.gz LWIALWXJTJXNNX-CQSZACIVSA-N 1 0 376.954 2.549 20 0 GFADRO O=C(NCCC[NH2+][C@H]1CCCc2n[nH]cc21)c1ccc(Br)cc1 ZINC000796748516 658936631 /nfs/dbraw/zinc/93/66/31/658936631.db2.gz XYZYAERBTSDIPM-HNNXBMFYSA-N 1 0 377.286 2.959 20 0 GFADRO CCOC(=O)C(F)(F)[C@@H]1CC[C@@H]([NH2+]CCn2cc(Br)cn2)C1 ZINC000797117687 658983502 /nfs/dbraw/zinc/98/35/02/658983502.db2.gz MTDCWZCXMWYBHT-ZYHUDNBSSA-N 1 0 380.233 2.602 20 0 GFADRO C[C@H](CNS(=O)(=O)c1cccc(Br)c1F)[NH+]1CCCCC1 ZINC000798429697 659103580 /nfs/dbraw/zinc/10/35/80/659103580.db2.gz IUQXURVCNIVZOV-LLVKDONJSA-N 1 0 379.295 2.741 20 0 GFADRO CN(CCC[NH+]1CCCC1)C(=O)/C=C\c1ccc(I)o1 ZINC000799026570 659161051 /nfs/dbraw/zinc/16/10/51/659161051.db2.gz UOCKGWVINQTWGB-VURMDHGXSA-N 1 0 388.249 2.842 20 0 GFADRO CON(C)C(=O)CC[NH+]1CCC(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000799132608 659167480 /nfs/dbraw/zinc/16/74/80/659167480.db2.gz OKSNBYVUDBNUGM-UHFFFAOYSA-N 1 0 398.301 2.510 20 0 GFADRO CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N2CCC=C(Br)C2)cc1 ZINC000799839053 659235834 /nfs/dbraw/zinc/23/58/34/659235834.db2.gz ZUNKOYKVPJGMEJ-UHFFFAOYSA-N 1 0 394.313 2.978 20 0 GFADRO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)NC[C@H](O)c1cccc(Br)c1 ZINC000799985518 659254522 /nfs/dbraw/zinc/25/45/22/659254522.db2.gz ZAVYGUMLVNLGRV-JKSUJKDBSA-N 1 0 398.345 2.902 20 0 GFADRO CC[NH+](CC)CCCOC(=O)c1sccc1S(=O)(=O)N1CCCCC1 ZINC000800104725 659270735 /nfs/dbraw/zinc/27/07/35/659270735.db2.gz GBTCPNXOZMQXQA-UHFFFAOYSA-N 1 0 388.555 2.811 20 0 GFADRO CCC[NH+]1CCC(CNC(=O)NC[C@H](O)c2cccc(Br)c2)CC1 ZINC000800702633 659327684 /nfs/dbraw/zinc/32/76/84/659327684.db2.gz JOHTUULICYVOPV-KRWDZBQOSA-N 1 0 398.345 2.904 20 0 GFADRO Cc1nn(C)c(Br)c1C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000800940538 659355515 /nfs/dbraw/zinc/35/55/15/659355515.db2.gz TURVXEAYGRJZGK-IUODEOHRSA-N 1 0 391.313 2.741 20 0 GFADRO CC[NH+]1CCC(n2nccc2NC(=O)c2c(C)nn(C)c2Br)CC1 ZINC000801148617 659371507 /nfs/dbraw/zinc/37/15/07/659371507.db2.gz JRCBIFOUFSHSGB-UHFFFAOYSA-N 1 0 395.305 2.597 20 0 GFADRO Cc1cc(C)n2c(C[NH2+]C[C@@H](O)c3cccc(Br)c3)cnc2n1 ZINC000801733679 659420425 /nfs/dbraw/zinc/42/04/25/659420425.db2.gz VRHVSRVYTDEGLD-MRXNPFEDSA-N 1 0 375.270 2.932 20 0 GFADRO CCN1CC[C@H]([NH2+]CCS(=O)(=O)C(C)C)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000801955788 659436322 /nfs/dbraw/zinc/43/63/22/659436322.db2.gz RKMJPUHTGNEAPQ-RDJZCZTQSA-N 1 0 378.460 2.652 20 0 GFADRO Cc1nn(C)c(Br)c1C(=O)O[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000802076249 659442407 /nfs/dbraw/zinc/44/24/07/659442407.db2.gz XQPVQAVWLPXEAI-CQSZACIVSA-N 1 0 378.270 2.922 20 0 GFADRO CS[C@H]1CN(C(=O)c2cnn(Cc3ccccc3)c2Cl)C[C@@H]1[NH+](C)C ZINC000802896286 659523998 /nfs/dbraw/zinc/52/39/98/659523998.db2.gz OQLNZKZATUXUTA-HOTGVXAUSA-N 1 0 378.929 2.702 20 0 GFADRO C[C@]12CCN(C(=O)[C@@]3(O)CC[N@H+](Cc4ccccc4)C3)C[C@H]1C2(Cl)Cl ZINC000803547843 659588527 /nfs/dbraw/zinc/58/85/27/659588527.db2.gz FFWQAMHMHXQNTQ-BPQIPLTHSA-N 1 0 383.319 2.666 20 0 GFADRO COc1ccc(Br)c(C(=O)OC[C@@H]2C[N@H+](CC(C)C)CCO2)c1 ZINC000803688843 659596855 /nfs/dbraw/zinc/59/68/55/659596855.db2.gz CUDKHCXCDBVRRY-AWEZNQCLSA-N 1 0 386.286 2.971 20 0 GFADRO Nc1cc(I)cc(C(=O)OCCC[NH+]2CCCCC2)c1 ZINC000803849958 659608818 /nfs/dbraw/zinc/60/88/18/659608818.db2.gz AFAXUIXAYJVREZ-UHFFFAOYSA-N 1 0 388.249 2.906 20 0 GFADRO CC[N@@H+]1CCN(C(=O)/C=C/c2cc(Br)c(O)c(OC)c2)[C@@H](C)C1 ZINC000804380323 659640211 /nfs/dbraw/zinc/64/02/11/659640211.db2.gz HOBONXGZKRYDDA-FYJFLYSWSA-N 1 0 383.286 2.729 20 0 GFADRO OCCCC[NH+]1CCN(c2ccc(Br)c(C(F)(F)F)n2)CC1 ZINC000804502578 659652106 /nfs/dbraw/zinc/65/21/06/659652106.db2.gz VJCBZIZKWDTPQF-UHFFFAOYSA-N 1 0 382.224 2.757 20 0 GFADRO Cc1nc(Cl)ccc1S(=O)(=O)N1CC[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC000805018741 659717715 /nfs/dbraw/zinc/71/77/15/659717715.db2.gz TZOUTVWXZOIUPJ-INIZCTEOSA-N 1 0 379.913 2.938 20 0 GFADRO Cc1nc(Cl)ccc1S(=O)(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000805053559 659728284 /nfs/dbraw/zinc/72/82/84/659728284.db2.gz COYYVZUNVBYPAO-UHFFFAOYSA-N 1 0 380.901 2.633 20 0 GFADRO CNC(=O)OC[C@@H]1CCCC[N@@H+]1C[C@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000805828553 659808230 /nfs/dbraw/zinc/80/82/30/659808230.db2.gz KUVYBCHGFXLNNB-STQMWFEESA-N 1 0 391.295 2.944 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CNC(=S)NC[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC000806594045 659836722 /nfs/dbraw/zinc/83/67/22/659836722.db2.gz MKFTXCADKHUPKY-LSDHHAIUSA-N 1 0 375.460 2.687 20 0 GFADRO CCOC(=O)C(F)(F)[C@H]1CCC[C@@H]([NH2+][C@@H](CCSC)C(=O)N(C)C)C1 ZINC000806663031 659839405 /nfs/dbraw/zinc/83/94/05/659839405.db2.gz SBEHRKIIZASXQV-MJBXVCDLSA-N 1 0 380.501 2.543 20 0 GFADRO Cc1cc(NC(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c(F)cc1Br ZINC000806812483 659842171 /nfs/dbraw/zinc/84/21/71/659842171.db2.gz HXSQURHNMVJCTF-NEPJUHHUSA-N 1 0 386.265 2.881 20 0 GFADRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1Cn1c2ccc(Br)cc2oc1=O ZINC000808189869 659880807 /nfs/dbraw/zinc/88/08/07/659880807.db2.gz BPFGHDQSPNVGTR-TZMCWYRMSA-N 1 0 380.286 2.873 20 0 GFADRO Cc1cc(S(=O)(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)cnc1Cl ZINC000808326445 659888697 /nfs/dbraw/zinc/88/86/97/659888697.db2.gz OVEQCRYJTAXYTO-YOEHRIQHSA-N 1 0 379.913 2.985 20 0 GFADRO Cn1nc(Br)cc1C[NH2+][C@@H]1CCCN(C(=O)CCC(F)(F)F)C1 ZINC000808423334 659893725 /nfs/dbraw/zinc/89/37/25/659893725.db2.gz YOAMXYLLPQCISF-SNVBAGLBSA-N 1 0 397.239 2.606 20 0 GFADRO CC(C)S(=O)(=O)CC[NH2+][C@H](C)CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000808726558 659903573 /nfs/dbraw/zinc/90/35/73/659903573.db2.gz GVOQUYPLBZJXLE-GFCCVEGCSA-N 1 0 380.432 2.835 20 0 GFADRO Cc1cc(Br)cc(C[N@@H+]2CCC[C@H]2C[C@]2(C)NC(=O)NC2=O)c1 ZINC000809704392 659936864 /nfs/dbraw/zinc/93/68/64/659936864.db2.gz BPGCEIKAAHCYMK-YOEHRIQHSA-N 1 0 380.286 2.710 20 0 GFADRO CCC[N@H+](CC)C[C@H](C)NC(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000810147745 659964593 /nfs/dbraw/zinc/96/45/93/659964593.db2.gz QQLUHGGIOGRZPF-LBPRGKRZSA-N 1 0 377.457 2.925 20 0 GFADRO CC(C)C[C@@H](C[NH2+]CC1(S(C)(=O)=O)CCCC1)NC(=O)OC(C)(C)C ZINC000811506143 660010917 /nfs/dbraw/zinc/01/09/17/660010917.db2.gz NNCRDRFOMJQKTM-HNNXBMFYSA-N 1 0 376.563 2.873 20 0 GFADRO CSC1(CNC(=O)NC[C@H](O)c2ccc(Cl)c(F)c2)CC[NH+](C)CC1 ZINC000811945267 660018118 /nfs/dbraw/zinc/01/81/18/660018118.db2.gz ZUBDJQARMGSMRX-HNNXBMFYSA-N 1 0 389.924 2.639 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)N1CC(O)(c2ccc(Cl)cc2)C1)c1ccsc1 ZINC000812003014 660018896 /nfs/dbraw/zinc/01/88/96/660018896.db2.gz YNFVSHOVYJWUSN-INIZCTEOSA-N 1 0 379.913 2.917 20 0 GFADRO COC(=O)/C(C)=C\C[NH2+][C@H](C)c1ccc(Br)cc1OCCCO ZINC000812885136 660036159 /nfs/dbraw/zinc/03/61/59/660036159.db2.gz LEBBTOHLDPCDLP-FFXRNRBCSA-N 1 0 386.286 2.980 20 0 GFADRO Cc1cnc(Br)c(NC(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)c1 ZINC000813003322 660039693 /nfs/dbraw/zinc/03/96/93/660039693.db2.gz MLZOCDKXLZTJBX-ZDUSSCGKSA-N 1 0 385.306 2.727 20 0 GFADRO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)c2nc(C3CC3)ncc2Br)C1 ZINC000813813927 660065229 /nfs/dbraw/zinc/06/52/29/660065229.db2.gz BRVXDULDQUNMJM-CYBMUJFWSA-N 1 0 393.329 2.920 20 0 GFADRO Cc1cc2cc(S(=O)(=O)N[C@H]3CC[N@H+](CC4CC4)C3)ccc2nc1Cl ZINC000815014037 660101385 /nfs/dbraw/zinc/10/13/85/660101385.db2.gz GILRLGMPJCTCLB-HNNXBMFYSA-N 1 0 379.913 2.959 20 0 GFADRO COc1cc2c(cc1Cl)C[N@H+](CCc1ccc(S(N)(=O)=O)cc1)CC2 ZINC000815262977 660118730 /nfs/dbraw/zinc/11/87/30/660118730.db2.gz JCJVXNJXTYZVHG-UHFFFAOYSA-N 1 0 380.897 2.597 20 0 GFADRO O=C(c1cn2c(Br)cnc2s1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000815508678 660124303 /nfs/dbraw/zinc/12/43/03/660124303.db2.gz DIGFMEKCIPXRFB-NSHDSACASA-N 1 0 383.315 2.859 20 0 GFADRO C[NH+]1CCC2(CCCN2C(=O)c2cn3c(Br)cnc3s2)CC1 ZINC000815911243 660135436 /nfs/dbraw/zinc/13/54/36/660135436.db2.gz WFOLWIVBLUXIRN-UHFFFAOYSA-N 1 0 383.315 2.859 20 0 GFADRO CCOc1c(Br)cc(C(=O)NOC2CC[NH+](C)CC2)cc1OC ZINC000816533407 660160398 /nfs/dbraw/zinc/16/03/98/660160398.db2.gz VBPPZYDEBFVVKT-UHFFFAOYSA-N 1 0 387.274 2.612 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)c1coc(Sc2ncccn2)n1)c1cccs1 ZINC000816815840 660169442 /nfs/dbraw/zinc/16/94/42/660169442.db2.gz FFKRLWMRSYFHLQ-GFCCVEGCSA-N 1 0 375.479 2.710 20 0 GFADRO C[NH+]1CCN(c2ncccc2CNC(=O)c2snc(Cl)c2Cl)CC1 ZINC000816906601 660172185 /nfs/dbraw/zinc/17/21/85/660172185.db2.gz OSRMVAKCNSNXCT-UHFFFAOYSA-N 1 0 386.308 2.527 20 0 GFADRO COc1cc(NC(=O)NC[C@H]2CC2(Cl)Cl)ccc1OCC[NH+](C)C ZINC000841822972 661315927 /nfs/dbraw/zinc/31/59/27/661315927.db2.gz RVGOTTXIMYMJQA-LLVKDONJSA-N 1 0 376.284 2.951 20 0 GFADRO Cc1ccc(-c2noc(-c3cn(CCCC[NH3+])nn3)n2)cc1Br ZINC000841826574 661316225 /nfs/dbraw/zinc/31/62/25/661316225.db2.gz GEFCFEJMZHLQQJ-UHFFFAOYSA-N 1 0 377.246 2.805 20 0 GFADRO [NH3+]C1(CNC(=O)NC[C@H](O)c2cccc(Br)c2)CCCCCC1 ZINC000841916981 661317817 /nfs/dbraw/zinc/31/78/17/661317817.db2.gz YUTUZSCTDGDZGO-HNNXBMFYSA-N 1 0 384.318 2.833 20 0 GFADRO O=C(NCC[C@@H]1CC[NH2+]C1)N1CCO[C@@H](c2ccccc2Br)C1 ZINC000841937838 661317977 /nfs/dbraw/zinc/31/79/77/661317977.db2.gz CNWJLHJAKRXJSD-XJKSGUPXSA-N 1 0 382.302 2.532 20 0 GFADRO CC(C)[NH2+]CCCNC(=O)N1CCO[C@H](c2ccccc2Br)C1 ZINC000841934545 661318061 /nfs/dbraw/zinc/31/80/61/661318061.db2.gz ZOMWHJFBIYXEAB-INIZCTEOSA-N 1 0 384.318 2.920 20 0 GFADRO CC(C)[C@H]([NH3+])CNC(=O)N1CCC[C@H]([C@@H](O)c2ccc(Br)cc2)C1 ZINC000841944575 661318165 /nfs/dbraw/zinc/31/81/65/661318165.db2.gz LRKNJWZWEVZENK-UAGQMJEPSA-N 1 0 398.345 2.887 20 0 GFADRO CN(C(=O)C(=O)N[C@H]1CCSc2ccc(Cl)cc21)C1CCC([NH3+])CC1 ZINC000842153880 661325794 /nfs/dbraw/zinc/32/57/94/661325794.db2.gz WUZJYLSMUMFINH-PIMMBPRGSA-N 1 0 381.929 2.721 20 0 GFADRO CCCC[N@H+](C)CCNC(=O)C(=O)Nc1cnc(Cl)c(C(F)(F)F)c1 ZINC000842203644 661327136 /nfs/dbraw/zinc/32/71/36/661327136.db2.gz VIMSYDZBBNOPBO-UHFFFAOYSA-N 1 0 380.798 2.540 20 0 GFADRO O=C(CN1C(=S)N=NC1c1cccs1)NCCC[NH2+]C1CCCCC1 ZINC000842233912 661329348 /nfs/dbraw/zinc/32/93/48/661329348.db2.gz JKIVUGVUPOVPKI-UHFFFAOYSA-N 1 0 379.555 2.724 20 0 GFADRO C[NH2+]C[C@@H](C)c1noc([C@@H]2CC(=O)N(c3ccccc3Br)C2)n1 ZINC000842579171 661344138 /nfs/dbraw/zinc/34/41/38/661344138.db2.gz LVHHFSHQIJEMMU-GHMZBOCLSA-N 1 0 379.258 2.676 20 0 GFADRO O=c1ccn(C[N@@H+]2CCO[C@@]3(CCSC3)C2)c2c(Br)cccc12 ZINC000842619368 661345607 /nfs/dbraw/zinc/34/56/07/661345607.db2.gz GNYYDYUFISVUOH-KRWDZBQOSA-N 1 0 395.322 2.929 20 0 GFADRO Cc1cccc(S(=O)(=O)NCc2ccc(CC[NH3+])cc2)c1Br ZINC000842701454 661349902 /nfs/dbraw/zinc/34/99/02/661349902.db2.gz ICGSBPHMHZETQC-UHFFFAOYSA-N 1 0 383.311 2.737 20 0 GFADRO CN(C1CCC([NH3+])CC1)S(=O)(=O)c1cccc(Br)c1Cl ZINC000842737098 661351714 /nfs/dbraw/zinc/35/17/14/661351714.db2.gz HEUVPRVBVCCDBH-UHFFFAOYSA-N 1 0 381.723 2.993 20 0 GFADRO COc1c(F)cc(Br)cc1S(=O)(=O)N(C)CC[C@H]([NH3+])C(C)C ZINC000842738547 661351887 /nfs/dbraw/zinc/35/18/87/661351887.db2.gz MXPAAVKNAXZBBF-LBPRGKRZSA-N 1 0 397.310 2.591 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H]2CN(S(=O)(=O)/C=C\c3ccc(Br)cc3)C[C@@H]21 ZINC000842793719 661354566 /nfs/dbraw/zinc/35/45/66/661354566.db2.gz MYWHVSQFISSYQJ-IRRSPPCTSA-N 1 0 385.327 2.809 20 0 GFADRO O=S(=O)(/C=C\c1ccccc1Br)N1CCC2(CC[NH2+]C2)CC1 ZINC000842871083 661358086 /nfs/dbraw/zinc/35/80/86/661358086.db2.gz KVLCDHYOCCDEFA-XGICHPGQSA-N 1 0 385.327 2.825 20 0 GFADRO Cc1cccc(OC[C@H](O)C[NH2+]C[C@H](O)c2ccccc2Br)c1 ZINC000843070573 661366400 /nfs/dbraw/zinc/36/64/00/661366400.db2.gz VOSVFPVOBMAGMM-KDOFPFPSSA-N 1 0 380.282 2.820 20 0 GFADRO O[C@@H](C[NH2+]C[C@H](O)COc1ccccc1F)c1ccccc1Br ZINC000843094396 661367768 /nfs/dbraw/zinc/36/77/68/661367768.db2.gz JOYBCYWJNKBZOV-LRDDRELGSA-N 1 0 384.245 2.651 20 0 GFADRO Cc1ccc([C@H](O)C[NH2+]C[C@H](O)COc2cccc(Br)c2)cc1 ZINC000843110968 661368514 /nfs/dbraw/zinc/36/85/14/661368514.db2.gz ILUMHIXNKZXBPO-FUHWJXTLSA-N 1 0 380.282 2.820 20 0 GFADRO OC[C@H](C[C@@H](O)c1ccccc1)[NH2+]C[C@@H](O)c1ccccc1Br ZINC000843109587 661368589 /nfs/dbraw/zinc/36/85/89/661368589.db2.gz YVZOZTYTHRDYGG-BMGDILEWSA-N 1 0 380.282 2.557 20 0 GFADRO CN(Cc1ccccc1)C[C@@H](O)C[NH2+]C[C@@H](O)c1cccc(Br)c1 ZINC000843113289 661368968 /nfs/dbraw/zinc/36/89/68/661368968.db2.gz REPMXDGXLUGQAW-RBUKOAKNSA-N 1 0 393.325 2.565 20 0 GFADRO COc1ccc(Br)cc1C[C@@H](CO)C[NH2+]C[C@H](O)c1ccccc1 ZINC000843115586 661369410 /nfs/dbraw/zinc/36/94/10/661369410.db2.gz HEMYDHYHCWOSSW-KDOFPFPSSA-N 1 0 394.309 2.932 20 0 GFADRO Ic1cccc(OCc2nc(C3CC[NH2+]CC3)no2)c1 ZINC000843139659 661370898 /nfs/dbraw/zinc/37/08/98/661370898.db2.gz UEVUQOCUMAEQJT-UHFFFAOYSA-N 1 0 385.205 2.720 20 0 GFADRO COc1cc(Br)c(Cc2noc(CC[C@H]3CC[NH2+]C3)n2)cc1OC ZINC000843196945 661371611 /nfs/dbraw/zinc/37/16/11/661371611.db2.gz IQYNYONDWGRFBE-NSHDSACASA-N 1 0 396.285 2.982 20 0 GFADRO [NH3+]C1(Cc2nc(Cc3cc(Br)c4c(c3)OCCO4)no2)CCC1 ZINC000843202459 661372315 /nfs/dbraw/zinc/37/23/15/661372315.db2.gz FIZLAAUDOKQIRB-UHFFFAOYSA-N 1 0 380.242 2.618 20 0 GFADRO COc1ccc(Cc2noc([C@@]3(F)CC[NH2+]C3)n2)c(Br)c1OC ZINC000843203924 661372445 /nfs/dbraw/zinc/37/24/45/661372445.db2.gz YIVORHHUGDXQPG-OAHLLOKOSA-N 1 0 386.221 2.598 20 0 GFADRO CC(C)(C[NH3+])c1nc(Cc2cccc(F)c2I)no1 ZINC000843210895 661373054 /nfs/dbraw/zinc/37/30/54/661373054.db2.gz ZVCXAVQXXFJBKW-UHFFFAOYSA-N 1 0 375.185 2.640 20 0 GFADRO COc1ccc(Br)cc1C1(c2noc([C@@H]3C[NH2+]CCO3)n2)CC1 ZINC000843241004 661374395 /nfs/dbraw/zinc/37/43/95/661374395.db2.gz HMNPFQYGJNDYLJ-ZDUSSCGKSA-N 1 0 380.242 2.582 20 0 GFADRO O=C(CO[C@@H]1CCC[NH2+]C1)Nc1ccnn1Cc1cccc(Cl)c1Cl ZINC000843371084 661378872 /nfs/dbraw/zinc/37/88/72/661378872.db2.gz HWUGIJYCZKZVQR-CYBMUJFWSA-N 1 0 383.279 2.945 20 0 GFADRO O=C(CO[C@@H]1CCC[NH2+]C1)NCC1(c2cccc(Br)c2)CCC1 ZINC000843397978 661379692 /nfs/dbraw/zinc/37/96/92/661379692.db2.gz VGAIYMOBLYTDPI-MRXNPFEDSA-N 1 0 381.314 2.756 20 0 GFADRO O=C(CO[C@H]1CCC[NH2+]C1)NCc1cc(Cl)cc(Cl)c1OC(F)F ZINC000843447097 661381706 /nfs/dbraw/zinc/38/17/06/661381706.db2.gz AWKCTTHFNXFZQL-NSHDSACASA-N 1 0 383.222 2.980 20 0 GFADRO CCc1ccc([C@@H]2C[NH2+]CCN2C(=O)c2[nH]nc(C)c2Br)cc1 ZINC000843472387 661382720 /nfs/dbraw/zinc/38/27/20/661382720.db2.gz HIZPUMJCTMPJFI-AWEZNQCLSA-N 1 0 377.286 2.830 20 0 GFADRO CCOC(=O)Nc1ccc(Br)cc1NC(=O)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000843491837 661383403 /nfs/dbraw/zinc/38/34/03/661383403.db2.gz MYOZCWTXVSTFOF-MEDUHNTESA-N 1 0 382.258 2.956 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)Oc2cc(C(N)=O)ccc2Br)C1 ZINC000843730846 661390770 /nfs/dbraw/zinc/39/07/70/661390770.db2.gz IVCOHECTRTZWIH-INIZCTEOSA-N 1 0 387.249 2.666 20 0 GFADRO COCCN1[C@H](C)CN(C(=O)c2sc(N3CCCC3)nc2Cl)C[C@@H]1C ZINC000844018743 661400274 /nfs/dbraw/zinc/40/02/74/661400274.db2.gz YDURRLIXPLTJAW-BETUJISGSA-N 1 0 386.949 2.578 20 0 GFADRO Cc1cc(Br)ccc1CC(=O)N1CCOC2(CC[NH+](C)CC2)C1 ZINC000844094130 661404290 /nfs/dbraw/zinc/40/42/90/661404290.db2.gz KXQLDFQLQKPTAY-UHFFFAOYSA-N 1 0 381.314 2.623 20 0 GFADRO CC[NH2+]CC(=O)N1CCN(c2ccc(Br)cc2C(F)(F)F)CC1 ZINC000844180106 661408818 /nfs/dbraw/zinc/40/88/18/661408818.db2.gz BZDRADBILDHRBH-UHFFFAOYSA-N 1 0 394.235 2.726 20 0 GFADRO [NH3+][C@@H](C(=O)N1CCN(Cc2ccc(Cl)nc2)CC1)c1cccc(Cl)c1 ZINC000844186721 661409140 /nfs/dbraw/zinc/40/91/40/661409140.db2.gz QVNULSHRUWJWDB-QGZVFWFLSA-N 1 0 379.291 2.733 20 0 GFADRO O=C1O[C@H](C[NH2+][C@@H](CO)c2ccc(Cl)cc2C(F)(F)F)CN1C1CC1 ZINC000844324281 661415353 /nfs/dbraw/zinc/41/53/53/661415353.db2.gz GVOHXWYQHWQFJK-RISCZKNCSA-N 1 0 378.778 2.965 20 0 GFADRO C[NH+](C)CCN1CCN(Cn2c(-c3ccccc3)csc2=S)CC1=O ZINC000844714490 661436777 /nfs/dbraw/zinc/43/67/77/661436777.db2.gz OHXGKYJYGCFRDX-UHFFFAOYSA-N 1 0 376.551 2.609 20 0 GFADRO Brc1cnn(CN2CCO[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000844733548 661437618 /nfs/dbraw/zinc/43/76/18/661437618.db2.gz YWIHHXPRPAUDFL-QZTJIDSGSA-N 1 0 391.313 2.578 20 0 GFADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)NCCC[C@@H]2CC2(Cl)Cl)CC1 ZINC000845011343 661453100 /nfs/dbraw/zinc/45/31/00/661453100.db2.gz OSVFYXCWAGXCMA-LSDHHAIUSA-N 1 0 379.376 2.533 20 0 GFADRO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)c2snc(Cl)c2Cl)CC1 ZINC000845453736 661471209 /nfs/dbraw/zinc/47/12/09/661471209.db2.gz AVNFWQIAFZPOPY-NSHDSACASA-N 1 0 377.341 2.692 20 0 GFADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@H](C)[C@](C)(O)c1ccccc1 ZINC000846187326 661537343 /nfs/dbraw/zinc/53/73/43/661537343.db2.gz KKQWTRKUWLHPNY-LBTNJELSSA-N 1 0 379.298 2.885 20 0 GFADRO COc1cc([C@@H](C)[NH2+]CCC2(CO)CCC2)ccc1S(=O)(=O)C(F)F ZINC000846209621 661538467 /nfs/dbraw/zinc/53/84/67/661538467.db2.gz GDDVXHXUYRGASK-GFCCVEGCSA-N 1 0 377.453 2.895 20 0 GFADRO C[N@H+](CCCNC(=O)C(=O)NCC[C@@]1(C)C[C@]1(F)Cl)C1CCCCC1 ZINC000846722137 661562473 /nfs/dbraw/zinc/56/24/73/661562473.db2.gz RRQLCCYWKPDBRK-ZWKOTPCHSA-N 1 0 375.916 2.578 20 0 GFADRO C[NH+](C)CC(=O)N1CCN(Cc2cc3cc(Cl)ccc3nc2Cl)CC1 ZINC000846769530 661565457 /nfs/dbraw/zinc/56/54/57/661565457.db2.gz MMMXBFHLXDJYGB-UHFFFAOYSA-N 1 0 381.307 2.747 20 0 GFADRO C[C@H]1COCC[N@@H+]1C1CCN(Cc2c(Cl)n(C)nc2C(F)(F)F)CC1 ZINC000846913791 661570108 /nfs/dbraw/zinc/57/01/08/661570108.db2.gz USLUWDROQMKHPO-NSHDSACASA-N 1 0 380.842 2.777 20 0 GFADRO O=C(Nc1cccc(Br)n1)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000847166296 661578410 /nfs/dbraw/zinc/57/84/10/661578410.db2.gz BSCIFZNLUQBUES-CYBMUJFWSA-N 1 0 383.290 2.563 20 0 GFADRO C[N@H+](CCNC(=O)c1ccccc1S(=O)(=O)C(F)(F)F)C1CCCC1 ZINC000847447975 661593185 /nfs/dbraw/zinc/59/31/85/661593185.db2.gz WUNPVXUNEHOIRH-UHFFFAOYSA-N 1 0 378.416 2.584 20 0 GFADRO CN1CC[NH+](CC2CCN(C(=O)c3nc(Cl)sc3Cl)CC2)CC1 ZINC000847477896 661593933 /nfs/dbraw/zinc/59/39/33/661593933.db2.gz GHSFGKYHVUKGOI-UHFFFAOYSA-N 1 0 377.341 2.550 20 0 GFADRO Cc1nc(Cl)c(Cl)cc1C(=O)N[C@@H](CC(C)C)C(=O)NCC[NH+](C)C ZINC000847618046 661601899 /nfs/dbraw/zinc/60/18/99/661601899.db2.gz GDVWCBIERVDHMM-AWEZNQCLSA-N 1 0 389.327 2.519 20 0 GFADRO C[NH+](C)CCNS(=O)(=O)c1cccc(NC(=O)CCC[Si](C)(C)C)c1 ZINC000847738878 661608371 /nfs/dbraw/zinc/60/83/71/661608371.db2.gz AYCKIAYDPUAMPQ-UHFFFAOYSA-N 1 0 385.606 2.583 20 0 GFADRO C[C@@H](COC(=O)Cc1ccc(S(=O)(=O)C(F)F)cc1)[NH+]1CCCCC1 ZINC000847964317 661618612 /nfs/dbraw/zinc/61/86/12/661618612.db2.gz YRCNGEZBFFRGKA-ZDUSSCGKSA-N 1 0 375.437 2.643 20 0 GFADRO Cc1ccc(N2N=C(Br)C[C@H]2C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)cc1 ZINC000848293565 661639357 /nfs/dbraw/zinc/63/93/57/661639357.db2.gz QTRNUFWRDWYFBV-IMJJTQAJSA-N 1 0 393.329 2.739 20 0 GFADRO COc1cc(C[NH2+]C2CCN([C@H]3CCOC3)CC2)cc(Br)c1O ZINC000848525101 661661401 /nfs/dbraw/zinc/66/14/01/661661401.db2.gz NLIQKAQFVWDGPQ-AWEZNQCLSA-N 1 0 385.302 2.506 20 0 GFADRO COC[C@@H](CC(C)(C)C)[NH2+]Cc1c(C)nn([C@@H]2CCS(=O)(=O)C2)c1Cl ZINC000848566892 661665381 /nfs/dbraw/zinc/66/53/81/661665381.db2.gz LNBUAKXCXWHSAI-ZIAGYGMSSA-N 1 0 391.965 2.745 20 0 GFADRO Cc1c(Br)cccc1CS(=O)(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000848600255 661666993 /nfs/dbraw/zinc/66/69/93/661666993.db2.gz MSFODSXXWSDXPG-UHFFFAOYSA-N 1 0 387.343 2.663 20 0 GFADRO [NH3+]C[C@@H](NC(=O)C(=O)Nc1cccc(Cl)c1SC(F)F)C(F)(F)F ZINC000848602897 661667670 /nfs/dbraw/zinc/66/76/70/661667670.db2.gz JYNHOQAPTPEZNB-SSDOTTSWSA-N 1 0 391.749 2.599 20 0 GFADRO Cc1ccc(-n2c(Cl)c(CN[C@@H](C[NH3+])C(F)(F)F)nc2N(C)C)cc1 ZINC000848714046 661677848 /nfs/dbraw/zinc/67/78/48/661677848.db2.gz DJMCBVQGCBFEND-ZDUSSCGKSA-N 1 0 375.826 2.879 20 0 GFADRO [NH2+]=C(NCCNS(=O)(=O)c1ccc(Cl)s1)Nc1cc(F)ccc1F ZINC000849081010 661690802 /nfs/dbraw/zinc/69/08/02/661690802.db2.gz CAVNUBREIZPEIC-UHFFFAOYSA-N 1 0 394.856 2.594 20 0 GFADRO CCOCCCNC(=[NH2+])NCc1nc(-c2cccc(Br)c2)no1 ZINC000849110682 661692369 /nfs/dbraw/zinc/69/23/69/661692369.db2.gz OMAZAEDSKOECAS-UHFFFAOYSA-N 1 0 382.262 2.540 20 0 GFADRO Nc1ncc(C[NH+]2CCC([C@H]3CCCN(C(=O)C(F)(F)F)C3)CC2)s1 ZINC000849352944 661708890 /nfs/dbraw/zinc/70/88/90/661708890.db2.gz SZYAAYDHKSPFOP-LBPRGKRZSA-N 1 0 376.448 2.738 20 0 GFADRO O=S(=O)(N[C@@H]1CC[N@@H+](C2CCCCC2)C1)c1ccc(Br)o1 ZINC000849461578 661730373 /nfs/dbraw/zinc/73/03/73/661730373.db2.gz SYGMKKBBDBRIRS-LLVKDONJSA-N 1 0 377.304 2.727 20 0 GFADRO Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)NCc2cccc(Br)c2)cn1 ZINC000849497094 661733850 /nfs/dbraw/zinc/73/38/50/661733850.db2.gz MVJRUUGHMCXMPP-DLBZAZTESA-N 1 0 391.313 2.534 20 0 GFADRO CC(C)[N@@H+]1CC[C@@H](C(=O)NCc2cnc(Cl)s2)[C@H](c2cnn(C)c2)C1 ZINC000849585385 661734843 /nfs/dbraw/zinc/73/48/43/661734843.db2.gz LNQWMYROKDSQHA-CABCVRRESA-N 1 0 381.933 2.660 20 0 GFADRO C[C@H](CNC(=O)C(=O)Nc1cccc(Br)c1F)[NH+]1CCCCC1 ZINC000850353584 661771566 /nfs/dbraw/zinc/77/15/66/661771566.db2.gz HRWNCMYPFPQZHU-LLVKDONJSA-N 1 0 386.265 2.517 20 0 GFADRO Cn1ncc(CCC[NH2+][C@@H]2CCc3ccc(I)cc32)n1 ZINC000850472494 661777736 /nfs/dbraw/zinc/77/77/36/661777736.db2.gz ZLFTYJBSLRBZHR-OAHLLOKOSA-N 1 0 382.249 2.629 20 0 GFADRO O=CN1CCC([NH2+]Cc2cc(Cl)ccc2I)CC1 ZINC000850489952 661778482 /nfs/dbraw/zinc/77/84/82/661778482.db2.gz YVBKZVGQTPTTRK-UHFFFAOYSA-N 1 0 378.641 2.655 20 0 GFADRO COc1cc([C@@H](C)[NH2+]C[C@H](CO)CC2CC2)ccc1S(=O)(=O)C(F)F ZINC000850544727 661781218 /nfs/dbraw/zinc/78/12/18/661781218.db2.gz JCVJOFMAQTUONV-DGCLKSJQSA-N 1 0 377.453 2.751 20 0 GFADRO COc1cc([C@@H](C)[NH2+]C[C@@H](CO)CC2CC2)ccc1S(=O)(=O)C(F)F ZINC000850544729 661781256 /nfs/dbraw/zinc/78/12/56/661781256.db2.gz JCVJOFMAQTUONV-YPMHNXCESA-N 1 0 377.453 2.751 20 0 GFADRO O=S(=O)(c1ccc(Cl)nc1Cl)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000850588572 661782436 /nfs/dbraw/zinc/78/24/36/661782436.db2.gz AOANVRBAZJTGDC-LBPRGKRZSA-N 1 0 378.325 2.789 20 0 GFADRO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)Nc1cc(Cl)c(N)c(Cl)c1 ZINC000850666428 661784974 /nfs/dbraw/zinc/78/49/74/661784974.db2.gz KBKPCBNQJXXWRQ-LLVKDONJSA-N 1 0 387.311 2.751 20 0 GFADRO [NH3+]CC12CC(C1)CN2C(=O)Nc1cc(C(F)(F)F)cc(Br)n1 ZINC000850743484 661790026 /nfs/dbraw/zinc/79/00/26/661790026.db2.gz ZMAUKWOPYNJJPI-UHFFFAOYSA-N 1 0 379.180 2.818 20 0 GFADRO CC(C)(C)n1ncc(C(=O)NCc2ccc3c(c2)C[NH2+]C3)c1Br ZINC000851634458 661826981 /nfs/dbraw/zinc/82/69/81/661826981.db2.gz HCXGYYCFVRXFAM-UHFFFAOYSA-N 1 0 377.286 2.934 20 0 GFADRO CC(C)(C)n1ncc(C(=O)NCc2ccc(C[NH3+])cc2F)c1Br ZINC000851640668 661827475 /nfs/dbraw/zinc/82/74/75/661827475.db2.gz BDSDIPARRMNQQU-UHFFFAOYSA-N 1 0 383.265 2.928 20 0 GFADRO C[C@@H](CCC[NH3+])NC(=O)N1CC[C@@]2(C)[C@@H](C1)C2(Br)Br ZINC000851667561 661828019 /nfs/dbraw/zinc/82/80/19/661828019.db2.gz PAEXHTDGBXNPON-UMNHJUIQSA-N 1 0 397.155 2.651 20 0 GFADRO CCOP(=O)(OCC)[C@H](O)C[N@@H+]1CCN(C(=O)OC(C)(C)C)C[C@@H]1C ZINC000851766410 661831034 /nfs/dbraw/zinc/83/10/34/661831034.db2.gz BRQVWQCGENVJNI-KBPBESRZSA-N 1 0 380.422 2.512 20 0 GFADRO CCOP(=O)(OCC)[C@@H](O)C[NH+]1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000851803585 661833017 /nfs/dbraw/zinc/83/30/17/661833017.db2.gz SISGPKAMPPKVJC-DLBZAZTESA-N 1 0 379.434 2.621 20 0 GFADRO CCOP(=O)(OCC)[C@H](O)C[N@@H+]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000851848031 661838643 /nfs/dbraw/zinc/83/86/43/661838643.db2.gz ITYGXYNGEOKXLY-KGLIPLIRSA-N 1 0 380.422 2.512 20 0 GFADRO C[C@]12CCN(C(=O)CCCCC[NH3+])C[C@H]1C2(Br)Br ZINC000852901517 661876800 /nfs/dbraw/zinc/87/68/00/661876800.db2.gz JWFXYUUWKYJVAF-PWSUYJOCSA-N 1 0 382.140 2.860 20 0 GFADRO COC(=O)[C@H]1C[N@@H+](CCC(OC)OC)C[C@@H]1c1ccc(Br)cc1 ZINC000852190859 661856045 /nfs/dbraw/zinc/85/60/45/661856045.db2.gz QTOMPWFVMWARCC-CABCVRRESA-N 1 0 386.286 2.647 20 0 GFADRO CCOP(=O)(OCC)[C@H](O)C[N@@H+]1CC[C@H](C)[C@H](C(=O)OC(C)(C)C)C1 ZINC000852203587 661856375 /nfs/dbraw/zinc/85/63/75/661856375.db2.gz FKAOHVIMANRRAY-ZNMIVQPWSA-N 1 0 379.434 2.871 20 0 GFADRO CCOP(=O)(OCC)[C@H](O)C[NH+]1CCN(c2c(F)cccc2F)CC1 ZINC000852205193 661856420 /nfs/dbraw/zinc/85/64/20/661856420.db2.gz WABOHWXRDSLXIW-HNNXBMFYSA-N 1 0 378.356 2.671 20 0 GFADRO CC(C)(C)OC(=O)CCC1CC[NH+](CCn2cnc(Br)n2)CC1 ZINC000852486266 661865666 /nfs/dbraw/zinc/86/56/66/661865666.db2.gz PGTWBIUZCQXKQQ-UHFFFAOYSA-N 1 0 387.322 2.875 20 0 GFADRO C[N@H+](C[C@@H]1COCCO1)C[C@@](C)(O)c1ccc(Br)cc1Cl ZINC000852498713 661865845 /nfs/dbraw/zinc/86/58/45/661865845.db2.gz PCHPYDGPAZDVJV-IUODEOHRSA-N 1 0 378.694 2.657 20 0 GFADRO C[C@](O)(C[N@@H+]1CC[C@@H](CN2CCCC2=O)C1)c1ccc(Br)cc1F ZINC000852678047 661870963 /nfs/dbraw/zinc/87/09/63/661870963.db2.gz AQXHBZDBMGIJHR-ACJLOTCBSA-N 1 0 399.304 2.740 20 0 GFADRO C[C@@H](NC(=O)c1cnn(-c2ccccc2)c1Br)[C@H]1CCC[NH2+]C1 ZINC000852794132 661874562 /nfs/dbraw/zinc/87/45/62/661874562.db2.gz MAQGUZATRPJRSY-OLZOCXBDSA-N 1 0 377.286 2.753 20 0 GFADRO Cc1sc(NC(=O)C2=NO[C@@H](C[NH3+])C2)nc1-c1ccc(Br)cc1 ZINC000852802378 661874714 /nfs/dbraw/zinc/87/47/14/661874714.db2.gz NTUUDYUNZACONZ-LLVKDONJSA-N 1 0 395.282 2.923 20 0 GFADRO CCCCOCCN(C(=O)C1=NO[C@@H](C[NH3+])C1)c1ccc(Br)cc1 ZINC000852842723 661875749 /nfs/dbraw/zinc/87/57/49/661875749.db2.gz GRGJFDLAXIEFCV-OAHLLOKOSA-N 1 0 398.301 2.702 20 0 GFADRO C[C@]1(C(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)CC1(Br)Br ZINC000852882745 661876523 /nfs/dbraw/zinc/87/65/23/661876523.db2.gz PKECAYYFVHYEFH-NTZNESFSSA-N 1 0 394.151 2.731 20 0 GFADRO Cc1nn(C)c(Br)c1C(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H]([NH3+])C1 ZINC000852892252 661876671 /nfs/dbraw/zinc/87/66/71/661876671.db2.gz JCRSZEXWKSZKIJ-KGLIPLIRSA-N 1 0 395.276 2.587 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CC[NH2+]C[C@@H](O)c1ccccn1 ZINC000853098580 661882354 /nfs/dbraw/zinc/88/23/54/661882354.db2.gz NYJYZOJMTWOHNF-MRXNPFEDSA-N 1 0 378.270 2.804 20 0 GFADRO Cc1ccc(C[C@@H](CO)C[NH2+]C[C@@H](O)c2ccccn2)cc1Br ZINC000853110735 661882669 /nfs/dbraw/zinc/88/26/69/661882669.db2.gz KINCMXFLNFUQOA-CRAIPNDOSA-N 1 0 379.298 2.627 20 0 GFADRO O[C@H](C[NH2+]C[C@@H](O)c1cc(F)c(F)c(F)c1)COc1ccc(Cl)cc1 ZINC000853132214 661883169 /nfs/dbraw/zinc/88/31/69/661883169.db2.gz PNOSKRQFCNIAQF-MLGOLLRUSA-N 1 0 375.774 2.820 20 0 GFADRO Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1CN1CCOC2(C[NH2+]C2)C1 ZINC000853249994 661886072 /nfs/dbraw/zinc/88/60/72/661886072.db2.gz XOSDWTVRSJUFAO-UHFFFAOYSA-N 1 0 381.307 2.721 20 0 GFADRO O[C@@H]1CC[N@H+](Cc2ccccc2CNc2ncnc(F)c2Br)C1 ZINC000853474936 661889733 /nfs/dbraw/zinc/88/97/33/661889733.db2.gz UKIFVSGDQOSXAJ-CYBMUJFWSA-N 1 0 381.249 2.557 20 0 GFADRO CCOC(=O)c1cn(CCC[NH+]2CCCCC2)nc1I ZINC000853707128 661897714 /nfs/dbraw/zinc/89/77/14/661897714.db2.gz CPOGNFOPSHTBEF-UHFFFAOYSA-N 1 0 391.253 2.540 20 0 GFADRO Cn1nc(Br)c2c1ncnc2N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000853851537 661904024 /nfs/dbraw/zinc/90/40/24/661904024.db2.gz VFGKQKNSCJIDKH-NSHDSACASA-N 1 0 379.306 2.945 20 0 GFADRO CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@]1(C)CC1(Br)Br ZINC000854443380 661934316 /nfs/dbraw/zinc/93/43/16/661934316.db2.gz WRXKOIDAWQHYJP-CMPLNLGQSA-N 1 0 382.140 2.873 20 0 GFADRO CC(C)Oc1ccc([C@H](CNC(=O)c2cc(Br)n[nH]2)[NH+](C)C)cc1 ZINC000854473772 661935481 /nfs/dbraw/zinc/93/54/81/661935481.db2.gz DEZXJWWLKQMOHV-HNNXBMFYSA-N 1 0 395.301 2.992 20 0 GFADRO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1cc(=O)c2cc(Br)ccc2o1 ZINC000854651460 661945655 /nfs/dbraw/zinc/94/56/55/661945655.db2.gz KGLZUHWMQFPZML-MFKMUULPSA-N 1 0 379.254 2.720 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)COc2ccc(C=O)cc2Br)C1 ZINC000855161779 661974052 /nfs/dbraw/zinc/97/40/52/661974052.db2.gz RJOGFZRGZTUTQI-CQSZACIVSA-N 1 0 397.313 2.877 20 0 GFADRO Cc1csc([C@](O)(CC(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)C(F)(F)F)n1 ZINC000855166941 661974712 /nfs/dbraw/zinc/97/47/12/661974712.db2.gz TTXROZOWXBMKJP-XHDPSFHLSA-N 1 0 379.448 2.581 20 0 GFADRO C[NH+](C)Cc1c2ccccc2oc1C(=O)NCC[S@](=O)CC(F)(F)F ZINC000855274295 661980957 /nfs/dbraw/zinc/98/09/57/661980957.db2.gz UESMAIVIOSOYNA-VWLOTQADSA-N 1 0 376.400 2.535 20 0 GFADRO CCN(C(=O)/C=C/c1cc(Br)c(O)c(OC)c1)[C@H]1CC[N@H+](C)C1 ZINC000855362544 661988372 /nfs/dbraw/zinc/98/83/72/661988372.db2.gz OCJUJMQVMKTALD-GFUIURDCSA-N 1 0 383.286 2.729 20 0 GFADRO C[NH+](C)CCC[C@H]1CN(C(=O)c2cc(C(F)(F)F)cc(Cl)n2)CCO1 ZINC000856429608 662033622 /nfs/dbraw/zinc/03/36/22/662033622.db2.gz HKZGIYAUZGVPAJ-LBPRGKRZSA-N 1 0 379.810 2.937 20 0 GFADRO O=C(NC[C@@H]1CCC[N@H+](CC2CC2)C1)c1c(Br)nc2n1CCCC2 ZINC000856475939 662035427 /nfs/dbraw/zinc/03/54/27/662035427.db2.gz HFYCSSVFYREKIE-AWEZNQCLSA-N 1 0 395.345 2.834 20 0 GFADRO COC(=O)N1CCC([C@H](C)[NH2+]Cc2cc(OC)ncc2Br)CC1 ZINC000856735962 662039945 /nfs/dbraw/zinc/03/99/45/662039945.db2.gz JFSXGDRMPACHPK-NSHDSACASA-N 1 0 386.290 2.809 20 0 GFADRO C[C@H]([NH3+])CCNC(=O)N[C@@H](CO)c1ccc(Br)cc1C(F)(F)F ZINC000857109245 662063773 /nfs/dbraw/zinc/06/37/73/662063773.db2.gz UZEGKPOMOQQPOA-UFBFGSQYSA-N 1 0 398.223 2.538 20 0 GFADRO O=S(=O)(Cc1noc(CC[C@H]2CCC[NH2+]C2)n1)Cc1ccc(Cl)cc1 ZINC000857253021 662070516 /nfs/dbraw/zinc/07/05/16/662070516.db2.gz KGMHBGJQJMQXFL-CYBMUJFWSA-N 1 0 383.901 2.770 20 0 GFADRO O=C(Nc1ccc(Br)cc1)N1CCC([NH2+]C[C@@H](O)C2CC2)CC1 ZINC000857772078 662090329 /nfs/dbraw/zinc/09/03/29/662090329.db2.gz VZGCILMRCBVLPB-MRXNPFEDSA-N 1 0 382.302 2.806 20 0 GFADRO CC(=O)CSCC(=O)N1C[C@@H]([NH+](C)C)CCc2cc(Br)ccc21 ZINC000857880926 662093384 /nfs/dbraw/zinc/09/33/84/662093384.db2.gz PIYRZPCCCFTTII-HNNXBMFYSA-N 1 0 399.354 2.981 20 0 GFADRO CCn1nncc1C(=O)N1C[C@H]([NH+](C)C)CCc2cc(Br)ccc21 ZINC000857881197 662093388 /nfs/dbraw/zinc/09/33/88/662093388.db2.gz RXYRTQPEOUUVPG-CQSZACIVSA-N 1 0 392.301 2.584 20 0 GFADRO C[NH+](C)[C@@H]1CCc2cc(Br)ccc2N(C(=O)c2ccncn2)C1 ZINC000857880730 662093396 /nfs/dbraw/zinc/09/33/96/662093396.db2.gz MSYSMVKYGWUCBX-CQSZACIVSA-N 1 0 375.270 2.762 20 0 GFADRO COCCCOCC(=O)N1C[C@@H]([NH+](C)C)CCc2cc(Br)ccc21 ZINC000857880850 662093405 /nfs/dbraw/zinc/09/34/05/662093405.db2.gz NBIPOYMIQKKFRR-INIZCTEOSA-N 1 0 399.329 2.712 20 0 GFADRO COC(=O)CCC(=O)N1C[C@@H]([NH+](C)C)CCc2cc(Br)ccc21 ZINC000857882310 662093624 /nfs/dbraw/zinc/09/36/24/662093624.db2.gz IOPKDIMGEZQKAZ-AWEZNQCLSA-N 1 0 383.286 2.612 20 0 GFADRO C[NH+](C)[C@H]1CCc2cc(Br)ccc2N(C(=O)Cn2cccn2)C1 ZINC000857882400 662093659 /nfs/dbraw/zinc/09/36/59/662093659.db2.gz JTDQTBFUKBGLRW-HNNXBMFYSA-N 1 0 377.286 2.555 20 0 GFADRO Cn1cc(C[NH2+]C[C@@H](O)c2ccc(OC(F)(F)F)cc2)c(Br)n1 ZINC000858116215 662099424 /nfs/dbraw/zinc/09/94/24/662099424.db2.gz JMVXMEXWVZBNLB-GFCCVEGCSA-N 1 0 394.191 2.904 20 0 GFADRO COc1cc(C[NH2+]C2CCN(S(=O)(=O)C(F)(F)F)CC2)ccc1Cl ZINC000858149869 662101360 /nfs/dbraw/zinc/10/13/60/662101360.db2.gz YGQUKSPPWXKXHC-UHFFFAOYSA-N 1 0 386.823 2.752 20 0 GFADRO COc1ccc(Br)cc1C[C@H](CO)C[NH2+]Cc1ccnc(F)c1 ZINC000858173746 662102944 /nfs/dbraw/zinc/10/29/44/662102944.db2.gz IAORFTAYHPEUGI-ZDUSSCGKSA-N 1 0 383.261 2.933 20 0 GFADRO COCO[C@@H](C)c1cc(F)c(C[NH2+][C@H]2C[C@@H](C(N)=O)C2)cc1Br ZINC000858184593 662103601 /nfs/dbraw/zinc/10/36/01/662103601.db2.gz MTJJWCZESJPGQL-JBLDHEPKSA-N 1 0 389.265 2.623 20 0 GFADRO Cc1cc(C[NH2+][C@@H]2CCCC[C@H]2NS(C)(=O)=O)c(Br)cc1F ZINC000858252597 662106256 /nfs/dbraw/zinc/10/62/56/662106256.db2.gz LYMQFVBQFQSPIX-HUUCEWRRSA-N 1 0 393.322 2.847 20 0 GFADRO COc1ncc(Br)cc1CNC(=O)NC[C@H](C)[NH+]1CCCCC1 ZINC000858277267 662107090 /nfs/dbraw/zinc/10/70/90/662107090.db2.gz KCYSXYKHCOIRNA-LBPRGKRZSA-N 1 0 385.306 2.526 20 0 GFADRO O=C(Nc1ccc(Br)cn1)C1CCN(c2cc[nH+]c(CO)c2)CC1 ZINC000858356537 662109493 /nfs/dbraw/zinc/10/94/93/662109493.db2.gz YYEUDGRRWJSWDV-UHFFFAOYSA-N 1 0 391.269 2.587 20 0 GFADRO C[C@@H]([NH2+]CCOc1ccc(S(=O)(=O)C(F)(F)F)cc1)[C@H]1CCCCO1 ZINC000858385075 662110359 /nfs/dbraw/zinc/11/03/59/662110359.db2.gz ZPXUOMSGEKHGSA-IUODEOHRSA-N 1 0 381.416 2.906 20 0 GFADRO COC(=O)Nc1ccc(S(=O)(=O)N(C)CC[C@@H]([NH3+])C(C)C)cc1Cl ZINC000858608021 662116047 /nfs/dbraw/zinc/11/60/47/662116047.db2.gz LAJSQTQLKOZJDI-CYBMUJFWSA-N 1 0 377.894 2.512 20 0 GFADRO C[NH+]1CCN(c2cc(-c3noc([C@@H]4C[C@]4(C)Br)n3)ccn2)CC1 ZINC000858798394 662123765 /nfs/dbraw/zinc/12/37/65/662123765.db2.gz VRTFXOGQBWDDLX-LRDDRELGSA-N 1 0 378.274 2.524 20 0 GFADRO O=C(NC[C@@H](O)c1ccccc1Br)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000858872674 662125333 /nfs/dbraw/zinc/12/53/33/662125333.db2.gz ZXVYTBMKRGWSRQ-RHSMWYFYSA-N 1 0 396.329 2.799 20 0 GFADRO O=C(NC[C@@H](O)c1cccc(Br)c1)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000858872194 662125449 /nfs/dbraw/zinc/12/54/49/662125449.db2.gz RBCBSKKFAOPVPB-DLBZAZTESA-N 1 0 396.329 2.799 20 0 GFADRO O=S(=O)(NC[C@H]1CC[N@@H+]1C1CCCCC1)c1cncc(Br)c1 ZINC000859276661 662149274 /nfs/dbraw/zinc/14/92/74/662149274.db2.gz MHPQKUNCVZJPLC-CQSZACIVSA-N 1 0 388.331 2.529 20 0 GFADRO CC(C)[C@H]1C[N@H+](Cc2ccccc2)CCN1CCn1cnc(Br)n1 ZINC000859480377 662164361 /nfs/dbraw/zinc/16/43/61/662164361.db2.gz ZGALZVMTPUXHFN-QGZVFWFLSA-N 1 0 392.345 2.883 20 0 GFADRO OC[C@@]1([NH2+]Cc2cnc(Cl)cn2)CCc2cc(Br)ccc2C1 ZINC000859575199 662168256 /nfs/dbraw/zinc/16/82/56/662168256.db2.gz ZZIDZIUJUWQGEN-MRXNPFEDSA-N 1 0 382.689 2.902 20 0 GFADRO CC1(C)OC[C@@H](CC[NH2+][C@@]2(CO)CCc3cc(Br)ccc3C2)O1 ZINC000859573718 662168261 /nfs/dbraw/zinc/16/82/61/662168261.db2.gz BIIRQEHOSLCLBS-AEFFLSMTSA-N 1 0 384.314 2.800 20 0 GFADRO CCOP(=O)(OCC)[C@H](O)C[N@@H+]1CC[C@@H](C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000859610329 662169431 /nfs/dbraw/zinc/16/94/31/662169431.db2.gz HEYYQOWTQUDCEZ-ZNMIVQPWSA-N 1 0 379.434 2.871 20 0 GFADRO CC(C)OCC[NH+]1CCC(NC(=O)c2cc(Br)cc(C=O)c2)CC1 ZINC000859825918 662175915 /nfs/dbraw/zinc/17/59/15/662175915.db2.gz RFWIVNUDSWPBMU-UHFFFAOYSA-N 1 0 397.313 2.881 20 0 GFADRO C[C@H]([NH2+]CCC(=O)Nc1sc2c(c1C(N)=O)CCCC2)c1ccns1 ZINC000860054454 662185121 /nfs/dbraw/zinc/18/51/21/662185121.db2.gz KVYDZCKDNSJIGB-JTQLQIEISA-N 1 0 378.523 2.862 20 0 GFADRO O=C(C[N@@H+]1C[C@@H]2COC(=O)[C@@H]2C1)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000860160288 662191594 /nfs/dbraw/zinc/19/15/94/662191594.db2.gz OYYIZGZKTRDPKP-IOASZLSFSA-N 1 0 383.275 2.762 20 0 GFADRO CC(C)(O)C[N@@H+]1CCc2c(cccc2NC(=O)[C@H]2C[C@]2(C)Br)C1 ZINC000860760460 662213598 /nfs/dbraw/zinc/21/35/98/662213598.db2.gz LOGPDOJLNWPGGD-KDOFPFPSSA-N 1 0 381.314 2.928 20 0 GFADRO CC[C@H](C(=O)N1CC[N@H+](C[C@@H](C)O)C[C@@H]1C)c1ccc(Br)cc1 ZINC000860975457 662222574 /nfs/dbraw/zinc/22/25/74/662222574.db2.gz AXITVIJZBIDTFZ-VBQJREDUSA-N 1 0 383.330 2.856 20 0 GFADRO CO[C@@H]1C[N@H+](C)[C@@](C)(COC(=O)c2ccc(I)cc2)C1 ZINC000861339141 662241370 /nfs/dbraw/zinc/24/13/70/662241370.db2.gz PRIXBCYTISEHJE-DZGCQCFKSA-N 1 0 389.233 2.557 20 0 GFADRO CC[C@H](C(=O)N[C@H]1CCC[N@H+](CCCO)C1)c1ccc(Br)cc1 ZINC000861863536 662261758 /nfs/dbraw/zinc/26/17/58/662261758.db2.gz RKKYFRWJCZKJCX-IRXDYDNUSA-N 1 0 383.330 2.906 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)c1cc(Br)c2ncc(C=O)n2c1 ZINC000862153807 662271106 /nfs/dbraw/zinc/27/11/06/662271106.db2.gz BAJYWEWJWJZYIL-LBPRGKRZSA-N 1 0 393.285 2.512 20 0 GFADRO C[C@H]([NH2+][C@@H]1CC[C@@H]2SCCS[C@H]12)[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000862291987 662279221 /nfs/dbraw/zinc/27/92/21/662279221.db2.gz STYSMUHYYOHTSW-CQJMVSDSSA-N 1 0 388.599 2.980 20 0 GFADRO COC(=O)C1=CC[C@@H]([NH2+]Cc2ccc(Br)cc2N2CCOCC2)C1 ZINC000862465784 662288554 /nfs/dbraw/zinc/28/85/54/662288554.db2.gz LHMSJTXWSMTKBD-MRXNPFEDSA-N 1 0 395.297 2.637 20 0 GFADRO COC(=O)c1ncn(C[N@@H+]2C[C@H](c3ccc(Br)cc3)C[C@@H]2C)n1 ZINC000863323976 662320632 /nfs/dbraw/zinc/32/06/32/662320632.db2.gz WRUHNYJKDLUQLC-WCQYABFASA-N 1 0 379.258 2.663 20 0 GFADRO Cc1ccc(CN2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)cc1Br ZINC000863642553 662342175 /nfs/dbraw/zinc/34/21/75/662342175.db2.gz RYIVQYYJKYQLQX-SJORKVTESA-N 1 0 394.313 2.515 20 0 GFADRO F[C@@H](c1nc(Cc2cc3c(cc2Br)OCO3)no1)[C@@H]1CC[NH2+]C1 ZINC000863666777 662342741 /nfs/dbraw/zinc/34/27/41/662342741.db2.gz HLJWCUXTQAVACA-XLKFXECMSA-N 1 0 384.205 2.772 20 0 GFADRO O=S(=O)(Cc1noc([C@@H](F)[C@@H]2CC[NH2+]C2)n1)c1cc(Cl)ccc1Cl ZINC000863665994 662342871 /nfs/dbraw/zinc/34/28/71/662342871.db2.gz SHESONLMPJNDFK-OQPBUACISA-N 1 0 394.255 2.970 20 0 GFADRO C[C@]1(Cc2noc(-c3nnn([C@@H]4CC[NH2+]C4)c3C(F)F)n2)CC1(Cl)Cl ZINC000863678369 662343880 /nfs/dbraw/zinc/34/38/80/662343880.db2.gz SUAAESLBCRIUFD-UHLUBPPHSA-N 1 0 393.225 2.927 20 0 GFADRO C[C@@H](c1ccc(-c2ccc(S(N)(=O)=O)c(Cl)c2)cc1)N1CC[NH2+]CC1 ZINC000863979877 662351765 /nfs/dbraw/zinc/35/17/65/662351765.db2.gz VRYCFVJYCXKRJS-ZDUSSCGKSA-N 1 0 379.913 2.621 20 0 GFADRO CSc1cc(C(=O)N2CCC(O)(C[NH+](C)C)CC2)ccc1Br ZINC000864076435 662353796 /nfs/dbraw/zinc/35/37/96/662353796.db2.gz UAWDRHGNJHOGLC-UHFFFAOYSA-N 1 0 387.343 2.700 20 0 GFADRO C[C@@H]1C[C@@H](N2C(=O)[C@H](c3ccc(Br)s3)N(C)C2=O)CC[N@@H+]1C ZINC000865301785 662410981 /nfs/dbraw/zinc/41/09/81/662410981.db2.gz MOVKMMOZOSLRGT-NRUUGDAUSA-N 1 0 386.315 2.928 20 0 GFADRO CN1C(=O)N(CC2([NH+](C)C)CCC2)C(=O)[C@@H]1c1ccc(Br)s1 ZINC000865303706 662411478 /nfs/dbraw/zinc/41/14/78/662411478.db2.gz LOIHKTZBZVHBEQ-LBPRGKRZSA-N 1 0 386.315 2.930 20 0 GFADRO NC(=O)[C@H](C[NH2+]Cc1cccnc1Br)Cc1ccccc1Cl ZINC000865522198 662426603 /nfs/dbraw/zinc/42/66/03/662426603.db2.gz NQDIEKYMSBSCOG-ZDUSSCGKSA-N 1 0 382.689 2.931 20 0 GFADRO CC(C)(C)OC(=O)N[C@H](C[NH2+][C@@H]1CCN(CC(F)F)C1)CC(F)(F)F ZINC000865605489 662431783 /nfs/dbraw/zinc/43/17/83/662431783.db2.gz BMOUTIFTJCNVAG-MNOVXSKESA-N 1 0 375.382 2.761 20 0 GFADRO CC(C)(C)OC(=O)COCC[NH2+]Cc1cc(Br)cnc1Cl ZINC000865684245 662436306 /nfs/dbraw/zinc/43/63/06/662436306.db2.gz RYWFPXRBRRDFRO-UHFFFAOYSA-N 1 0 379.682 2.945 20 0 GFADRO Brc1ccc(C[NH2+][C@H]2[C@@H]3OC[C@@H]4C[C@H]2C[C@@H]43)c(N2CCOCC2)c1 ZINC000865697132 662437095 /nfs/dbraw/zinc/43/70/95/662437095.db2.gz VQDCWNHQCSTJJS-LVGQOLGVSA-N 1 0 393.325 2.799 20 0 GFADRO C[NH+](C)CCCCNC(=O)c1cc(Br)ncc1Br ZINC000865798237 662444137 /nfs/dbraw/zinc/44/41/37/662444137.db2.gz UBUIPFSEFCSPHK-UHFFFAOYSA-N 1 0 379.096 2.678 20 0 GFADRO COCCCn1nccc1C[NH2+][C@@](C)(CO)Cc1ccc(Br)cc1 ZINC000865714643 662438402 /nfs/dbraw/zinc/43/84/02/662438402.db2.gz AJOFBXSCUURTPZ-GOSISDBHSA-N 1 0 396.329 2.765 20 0 GFADRO O=C1CNC(=O)N1Cc1ccc(C[NH2+]Cc2cc(Br)cs2)cc1 ZINC000865773835 662442348 /nfs/dbraw/zinc/44/23/48/662442348.db2.gz ZWPBDBOXDNAUKW-UHFFFAOYSA-N 1 0 394.294 2.852 20 0 GFADRO COCC[C@@H](C[NH2+]Cc1ccc(Br)cn1)NC(=O)OC(C)(C)C ZINC000865810650 662444948 /nfs/dbraw/zinc/44/49/48/662444948.db2.gz SQERMKPJPOFIED-AWEZNQCLSA-N 1 0 388.306 2.864 20 0 GFADRO COCCCn1nccc1C[NH2+][C@H]1COc2cccc(Br)c2C1 ZINC000865820145 662445458 /nfs/dbraw/zinc/44/54/58/662445458.db2.gz AIZSXDBVKWFMPG-CYBMUJFWSA-N 1 0 380.286 2.775 20 0 GFADRO CC(=O)N[C@H](C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)c1cccc(Br)c1 ZINC000866058857 662458993 /nfs/dbraw/zinc/45/89/93/662458993.db2.gz GZBRZRSEGMXKBA-WBMJQRKESA-N 1 0 398.345 2.719 20 0 GFADRO CS(=O)(=O)CCOCC[NH2+][C@H](c1cccc(Br)c1)C1CCC1 ZINC000866301654 662467422 /nfs/dbraw/zinc/46/74/22/662467422.db2.gz QICKNYNFJNQKDW-INIZCTEOSA-N 1 0 390.343 2.941 20 0 GFADRO Cc1cc(Br)cc2c1[C@@H]([NH2+]C[C@]13COC(=O)N1CCOC3)CC2 ZINC000866521336 662478715 /nfs/dbraw/zinc/47/87/15/662478715.db2.gz LOUYKYQPNSUOHJ-YOEHRIQHSA-N 1 0 381.270 2.556 20 0 GFADRO CC[C@H](C[C@@H](C)O)[NH2+][C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000866632843 662486219 /nfs/dbraw/zinc/48/62/19/662486219.db2.gz CIHKISPPZKBAQK-QKCSRTOESA-N 1 0 376.316 2.807 20 0 GFADRO O=C(NCCCC[N@H+]1CCC[C@@H]1CO)c1cc(F)c(Br)cc1F ZINC000866783793 662498233 /nfs/dbraw/zinc/49/82/33/662498233.db2.gz VSKRXOIHGAZXPG-LLVKDONJSA-N 1 0 391.256 2.694 20 0 GFADRO [NH3+][C@H]1C[C@@H](CNS(=O)(=O)c2ccc(Br)c(Cl)c2Cl)C1 ZINC000866806504 662500300 /nfs/dbraw/zinc/50/03/00/662500300.db2.gz NJDZQVMMIMJXKH-KNVOCYPGSA-N 1 0 388.114 2.772 20 0 GFADRO Cc1cc(Br)sc1S(=O)(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000866809082 662500460 /nfs/dbraw/zinc/50/04/60/662500460.db2.gz FGHFSYSLSGKGKV-JGPRNRPPSA-N 1 0 379.345 2.628 20 0 GFADRO CC(C)(C)[C@@]1(C[NH3+])CCN(S(=O)(=O)c2sccc2Br)C1 ZINC000866816494 662501490 /nfs/dbraw/zinc/50/14/90/662501490.db2.gz YKDPDTKZALWCDW-CYBMUJFWSA-N 1 0 381.361 2.896 20 0 GFADRO COC(=O)c1ccc(S(=O)(=O)N2CC[C@](C[NH3+])(C(C)(C)C)C2)c(Cl)c1 ZINC000866816073 662501545 /nfs/dbraw/zinc/50/15/45/662501545.db2.gz WJJSTUGJTLUHSB-QGZVFWFLSA-N 1 0 388.917 2.512 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2cc3nc(Cl)ncc3s2)[C@@H](C)C1 ZINC000866864866 662504665 /nfs/dbraw/zinc/50/46/65/662504665.db2.gz YKSVZUAAAXMUOJ-CMPLNLGQSA-N 1 0 388.946 2.696 20 0 GFADRO CC[NH+](CC)C[C@@H]1CCN(S(=O)(=O)c2cc3nc(Cl)ncc3s2)C1 ZINC000866891446 662506592 /nfs/dbraw/zinc/50/65/92/662506592.db2.gz DQXPESFTSOGBKW-NSHDSACASA-N 1 0 388.946 2.697 20 0 GFADRO C[N@@H+]1CC[C@]2(CCN(S(=O)(=O)c3oc4ccccc4c3Br)C2)C1 ZINC000867300699 662540110 /nfs/dbraw/zinc/54/01/10/662540110.db2.gz RQTBTIRYKBXRLD-INIZCTEOSA-N 1 0 399.310 2.912 20 0 GFADRO CN(CC[N@H+](C)C1CC1)C(=O)c1cc(Br)ncc1Br ZINC000867475552 662552606 /nfs/dbraw/zinc/55/26/06/662552606.db2.gz GTMFNZFJHTZTTN-UHFFFAOYSA-N 1 0 391.107 2.773 20 0 GFADRO Cc1cc(S(=O)(=O)N2CC[C@H]3[C@@H](CC[N@H+]3C)C2)sc1Br ZINC000867812449 662579169 /nfs/dbraw/zinc/57/91/69/662579169.db2.gz JVSRQIFSRODLRT-QWRGUYRKSA-N 1 0 379.345 2.534 20 0 GFADRO COCCC1(NC(=O)[C@@H](C)Oc2ccc(C)cc2Br)CC[NH2+]CC1 ZINC000868042640 662592226 /nfs/dbraw/zinc/59/22/26/662592226.db2.gz RGDBSMORFYMMCL-CQSZACIVSA-N 1 0 399.329 2.800 20 0 GFADRO [NH3+][C@@H](C(=O)Nc1nnc([C@@H]2CCCO2)s1)c1cccc(Br)c1 ZINC000868050163 662592592 /nfs/dbraw/zinc/59/25/92/662592592.db2.gz FSFWLQCGACBNED-WDEREUQCSA-N 1 0 383.271 2.791 20 0 GFADRO C[N@@H+]1CCN(CCNC(=O)/C=C\c2ccsc2C(F)(F)F)CC1(C)C ZINC000868056353 662592963 /nfs/dbraw/zinc/59/29/63/662592963.db2.gz SBTRDMYDGDJSDB-PLNGDYQASA-N 1 0 375.460 2.922 20 0 GFADRO C[C@H]1C[C@H]([NH3+])CN1C(=O)Nc1cnc(Br)c(Br)c1 ZINC000868131272 662595475 /nfs/dbraw/zinc/59/54/75/662595475.db2.gz CCLPPJRHOUTKHX-BQBZGAKWSA-N 1 0 378.068 2.560 20 0 GFADRO COCCOc1ccc(Br)cc1NC(=O)N1C2CCC1(C[NH3+])CC2 ZINC000868144000 662596256 /nfs/dbraw/zinc/59/62/56/662596256.db2.gz DIDAXOHJRSANBT-UHFFFAOYSA-N 1 0 398.301 2.962 20 0 GFADRO COCCC1(NC(=O)Nc2nc(-c3sccc3C)ns2)CC[NH2+]CC1 ZINC000868148196 662596450 /nfs/dbraw/zinc/59/64/50/662596450.db2.gz AVXLTBLFJCHJCL-UHFFFAOYSA-N 1 0 381.527 2.855 20 0 GFADRO [NH3+][C@H]1C[C@@H](CNC(=O)Nc2ccnn2Cc2ccccc2Br)C1 ZINC000868151159 662596513 /nfs/dbraw/zinc/59/65/13/662596513.db2.gz QXZQCGCULWVKFA-BJHJDKERSA-N 1 0 378.274 2.553 20 0 GFADRO CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)Nc2ccc(Cl)c(S(C)(=O)=O)c2)C1 ZINC000868151637 662596601 /nfs/dbraw/zinc/59/66/01/662596601.db2.gz JKUDIPRLAZMJIQ-KRWDZBQOSA-N 1 0 387.933 2.972 20 0 GFADRO [NH3+][C@H]1C[C@H](CNC(=O)Nc2cc(Br)cc(C(=O)N3CCCC3)c2)C1 ZINC000868155371 662596809 /nfs/dbraw/zinc/59/68/09/662596809.db2.gz NEXWCHNPJBHLQL-YEORSEQZSA-N 1 0 395.301 2.544 20 0 GFADRO Cc1cc(I)cc(NC(=O)N2CCC[C@H]3[NH2+]CC[C@H]32)c1 ZINC000868157455 662597005 /nfs/dbraw/zinc/59/70/05/662597005.db2.gz DXPFLLQZYMTPAY-ZIAGYGMSSA-N 1 0 385.249 2.958 20 0 GFADRO CC(C)(C)[C@@]1(C[NH3+])CCN(C(=O)C(=O)Nc2cccc(Br)c2)C1 ZINC000868310442 662601557 /nfs/dbraw/zinc/60/15/57/662601557.db2.gz TZPDAEVBDQGROH-QGZVFWFLSA-N 1 0 382.302 2.611 20 0 GFADRO C[C@H](CNC(=O)NCc1ncc(Br)s1)[NH+]1CCC(C)CC1 ZINC000868367414 662603328 /nfs/dbraw/zinc/60/33/28/662603328.db2.gz MCPDVCWHNRPMNZ-LLVKDONJSA-N 1 0 375.336 2.825 20 0 GFADRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)c3cc(Br)cn4ccnc34)C2)C1 ZINC000868572397 662610120 /nfs/dbraw/zinc/61/01/20/662610120.db2.gz RRSCWFHHCLPPFQ-QGZVFWFLSA-N 1 0 377.286 2.655 20 0 GFADRO C[NH+]1CCC2(CC1)CN(C(=O)NCC1SCCS1)Cc1ccccc12 ZINC000868787365 662619000 /nfs/dbraw/zinc/61/90/00/662619000.db2.gz WFTOHYNLJUNDNW-UHFFFAOYSA-N 1 0 377.579 2.981 20 0 GFADRO C/C(=C\c1ccc(Br)o1)C(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000869299298 662640595 /nfs/dbraw/zinc/64/05/95/662640595.db2.gz PHBLMRPHQMZKRX-WONIAPNHSA-N 1 0 383.286 2.503 20 0 GFADRO CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)c2nc3ccccc3cc2Br)C1 ZINC000869778159 662661248 /nfs/dbraw/zinc/66/12/48/662661248.db2.gz ZGPWXFTTXJJKMT-ZDUSSCGKSA-N 1 0 392.297 2.572 20 0 GFADRO [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)NC[C@@H]2CCN(c3cccc(Br)c3)C2)C1 ZINC000870873691 662704132 /nfs/dbraw/zinc/70/41/32/662704132.db2.gz REDJDCAIXFGNOJ-FHKFTOANSA-N 1 0 378.314 2.519 20 0 GFADRO CC(C)[C@@H](C(=O)Nc1ccc(N2CC[C@@H](CO)C2)c(Br)c1)[NH+](C)C ZINC000870889590 662706117 /nfs/dbraw/zinc/70/61/17/662706117.db2.gz MPEZIJYKKNPFDC-DYVFJYSZSA-N 1 0 398.345 2.792 20 0 GFADRO [NH3+][C@H](C(=O)N1CCC([C@H](O)C(F)(F)F)CC1)c1cccc(Br)c1 ZINC000870906992 662707591 /nfs/dbraw/zinc/70/75/91/662707591.db2.gz NMVLOXLQDBYPRX-STQMWFEESA-N 1 0 395.219 2.611 20 0 GFADRO O=C(c1cc(Br)cn2ccnc12)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000870914702 662708093 /nfs/dbraw/zinc/70/80/93/662708093.db2.gz RCAQDZDUJHBVRO-OLZOCXBDSA-N 1 0 377.286 2.559 20 0 GFADRO COc1cc(I)ccc1C(=O)N1CCC(CC[NH3+])CC1 ZINC000870950168 662711249 /nfs/dbraw/zinc/71/12/49/662711249.db2.gz DZSQNEAGAFQRFT-UHFFFAOYSA-N 1 0 388.249 2.501 20 0 GFADRO O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1csc(I)c1 ZINC000870975066 662711868 /nfs/dbraw/zinc/71/18/68/662711868.db2.gz PMVZMMALSGDQIU-GUDFOSOFSA-N 1 0 376.263 2.613 20 0 GFADRO Cc1nn(Cc2cccc(Br)c2)c(C)c1C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000870971504 662711873 /nfs/dbraw/zinc/71/18/73/662711873.db2.gz CCFHFQFOAMDHQU-KOMQPUFPSA-N 1 0 391.313 2.778 20 0 GFADRO [NH3+]CC[C@H]1CCCCN1S(=O)(=O)c1cc2c(cc1Cl)CCCC(=O)N2 ZINC000871806505 662734694 /nfs/dbraw/zinc/73/46/94/662734694.db2.gz CHYFFZQAGVWKFT-CYBMUJFWSA-N 1 0 385.917 2.507 20 0 GFADRO [NH3+]C[C@H]1CN(S(=O)(=O)c2cc(Cl)sc2Cl)C[C@@H]1C(F)(F)F ZINC000871810619 662734969 /nfs/dbraw/zinc/73/49/69/662734969.db2.gz IUKZHMGBCDIGMQ-WDSKDSINSA-N 1 0 383.244 2.813 20 0 GFADRO CC[NH+](CC)[C@H](CN1C(=O)N[C@@H](Cc2cncs2)C1=O)c1ccsc1 ZINC000871891100 662739978 /nfs/dbraw/zinc/73/99/78/662739978.db2.gz KJUUDABEAYIITO-LSDHHAIUSA-N 1 0 378.523 2.751 20 0 GFADRO COC[C@H]([NH2+][C@@H](Cc1ccccc1)C(N)=O)c1cccc(Br)c1 ZINC000871924600 662742623 /nfs/dbraw/zinc/74/26/23/662742623.db2.gz LWBYOCLLCNOANV-IRXDYDNUSA-N 1 0 377.282 2.823 20 0 GFADRO CCO[C@H]1C[C@@H](O)C12CC[NH+](C[C@@H](O)c1ccc(Br)cc1)CC2 ZINC000871978352 662748612 /nfs/dbraw/zinc/74/86/12/662748612.db2.gz ZQIDASHBXZQTRC-ZACQAIPSSA-N 1 0 384.314 2.734 20 0 GFADRO COCCN1CC[C@H]([NH2+][C@@H](c2cccc(Br)c2)[C@@H]2CCOC2)C1 ZINC000872036678 662754493 /nfs/dbraw/zinc/75/44/93/662754493.db2.gz VEAAQSPMNBFUGJ-NJAFHUGGSA-N 1 0 383.330 2.837 20 0 GFADRO O=S(=O)(N1CCC(C[NH2+][C@@H]2CCOC3(CCCC3)C2)CC1)C(F)(F)F ZINC000872036856 662754497 /nfs/dbraw/zinc/75/44/97/662754497.db2.gz VZGZVCRJSMHOFM-CQSZACIVSA-N 1 0 384.464 2.629 20 0 GFADRO O=C1C[C@H]([NH2+][C@H](c2cccc(Br)c2)[C@@H]2CCOC2)CN1C1CC1 ZINC000872050403 662754894 /nfs/dbraw/zinc/75/48/94/662754894.db2.gz ZWKRZCMKIZUNIW-QIIPPGSGSA-N 1 0 379.298 2.880 20 0 GFADRO [NH3+]C[C@@H]1CN([C@H]2CCN(c3ccc(Cl)cc3F)C2=O)C[C@H]1C(F)(F)F ZINC000872150541 662756800 /nfs/dbraw/zinc/75/68/00/662756800.db2.gz WWXJGKRSAZGAOD-UDZFHETQSA-N 1 0 379.785 2.653 20 0 GFADRO CC[C@@H]1c2ccsc2CCN1C(=O)CN1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000872151824 662756983 /nfs/dbraw/zinc/75/69/83/662756983.db2.gz XWLKDZOWMMMXPF-MRVWCRGKSA-N 1 0 375.460 2.653 20 0 GFADRO [NH3+]C[C@@H]1CN([C@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)C[C@@H]1C(F)(F)F ZINC000872152359 662756991 /nfs/dbraw/zinc/75/69/91/662756991.db2.gz QCSCOBSLMSLTCE-PUYPPJJSSA-N 1 0 379.785 2.653 20 0 GFADRO CC(C)(C)S(=O)(=O)CC[NH2+]C[C@@H](O)COc1cc(Cl)cc(Cl)c1 ZINC000872201835 662757818 /nfs/dbraw/zinc/75/78/18/662757818.db2.gz JMIMLCLEYISUIJ-CYBMUJFWSA-N 1 0 384.325 2.536 20 0 GFADRO CC(C)(O)C[C@@H](O)C[NH2+]Cc1ccc(I)c(Cl)c1 ZINC000872207772 662758095 /nfs/dbraw/zinc/75/80/95/662758095.db2.gz BVFMTFAINGUPDN-SNVBAGLBSA-N 1 0 383.657 2.556 20 0 GFADRO C[C@H](NS(=O)(=O)c1ccc(C[NH+](C)C)cc1)c1ccncc1Br ZINC000872632928 662781572 /nfs/dbraw/zinc/78/15/72/662781572.db2.gz CJCSEFCURRNOGA-LBPRGKRZSA-N 1 0 398.326 2.945 20 0 GFADRO O=C1OCC[C@H]1CCC[NH2+]Cc1cccc(F)c1I ZINC000873159753 662802076 /nfs/dbraw/zinc/80/20/76/662802076.db2.gz WRWCOUKJSKQXSA-SNVBAGLBSA-N 1 0 377.197 2.863 20 0 GFADRO [NH3+]C[C@H]1CN(Cc2cc(Br)c3c(c2)OCCO3)C[C@@H]1C(F)(F)F ZINC000873227856 662804238 /nfs/dbraw/zinc/80/42/38/662804238.db2.gz OAVLLMXXBLDBDY-QWRGUYRKSA-N 1 0 395.219 2.789 20 0 GFADRO [NH3+]C[C@H]1CN(Cc2cn(-c3ccc(F)c(Cl)c3)nn2)C[C@@H]1C(F)(F)F ZINC000873228932 662804295 /nfs/dbraw/zinc/80/42/95/662804295.db2.gz WNEQDJSUTSPOMJ-CABZTGNLSA-N 1 0 377.773 2.629 20 0 GFADRO COc1cc(NC(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)c(OC)cc1Cl ZINC000873300389 662804998 /nfs/dbraw/zinc/80/49/98/662804998.db2.gz VDYORCPLVAINRD-RKDXNWHRSA-N 1 0 381.782 2.958 20 0 GFADRO O=C(NC[C@H]1CC2(CO1)CC[NH2+]CC2)Nc1nnc(-c2ccsc2)s1 ZINC000873305754 662805089 /nfs/dbraw/zinc/80/50/89/662805089.db2.gz YECXTIIQFKIJKB-GFCCVEGCSA-N 1 0 379.511 2.547 20 0 GFADRO Cc1ccc(NC(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)c(Br)n1 ZINC000873312664 662805213 /nfs/dbraw/zinc/80/52/13/662805213.db2.gz DHAGQTFJMVHJDZ-BDAKNGLRSA-N 1 0 381.196 2.753 20 0 GFADRO COC(=O)c1c(Br)ccc(NC(=O)N[C@]23CCC[C@H]2[NH2+]CC3)c1C ZINC000873324501 662805478 /nfs/dbraw/zinc/80/54/78/662805478.db2.gz SOHNIRJNVVRWPI-DYVFJYSZSA-N 1 0 396.285 2.950 20 0 GFADRO COc1cc(NC(=O)N2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)cc(OC)c1Cl ZINC000873329662 662805648 /nfs/dbraw/zinc/80/56/48/662805648.db2.gz AVTDORDPUYKAPF-WCBMZHEXSA-N 1 0 381.782 2.958 20 0 GFADRO CCc1ccc(Br)c(NC(=O)C(=O)NCC2(C)CC[NH+](C)CC2)c1 ZINC000873796494 662814411 /nfs/dbraw/zinc/81/44/11/662814411.db2.gz UTFRXLWPRFFLCT-UHFFFAOYSA-N 1 0 396.329 2.798 20 0 GFADRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)Nc1cc(Cl)cc(Cl)c1F ZINC000873831522 662815661 /nfs/dbraw/zinc/81/56/61/662815661.db2.gz VUMLKNCVMONSMU-RNCFNFMXSA-N 1 0 376.259 2.870 20 0 GFADRO CCn1ncc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)c1Br ZINC000873856457 662816424 /nfs/dbraw/zinc/81/64/24/662816424.db2.gz JCDHTHMFHLAETB-AWEZNQCLSA-N 1 0 377.286 2.670 20 0 GFADRO C[N@@H+]1CCC[C@H]2[C@H]1CCN2C(=O)c1cc(=O)c2cc(Br)ccc2[nH]1 ZINC000874839043 662838129 /nfs/dbraw/zinc/83/81/29/662838129.db2.gz SULRHFSXIGJNPZ-CVEARBPZSA-N 1 0 390.281 2.599 20 0 GFADRO C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2C ZINC000874844379 662838286 /nfs/dbraw/zinc/83/82/86/662838286.db2.gz SXFGKAIOEBRHHW-NILFDRSVSA-N 1 0 384.307 2.807 20 0 GFADRO Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)Oc2cc(F)ccc2Br)cn1 ZINC000875471321 662846620 /nfs/dbraw/zinc/84/66/20/662846620.db2.gz YTPYMWSKNHEHPN-UONOGXRCSA-N 1 0 396.260 2.963 20 0 GFADRO CN(CC[NH+]1CC2(C1)CCOCC2)C(=O)NCC[C@]1(C)CC1(Cl)Cl ZINC000875643779 662849557 /nfs/dbraw/zinc/84/95/57/662849557.db2.gz YJWXNHWAPTVSBH-OAHLLOKOSA-N 1 0 378.344 2.714 20 0 GFADRO C[NH+](C)C[C@@H](NC(=O)N1CCC2(C1)OCCO2)c1ccc(Cl)c(Cl)c1 ZINC000875870926 662853216 /nfs/dbraw/zinc/85/32/16/662853216.db2.gz FXBGABOUNGNORV-OAHLLOKOSA-N 1 0 388.295 2.755 20 0 GFADRO CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NCc1c(Br)cnn1C ZINC000875986769 662854509 /nfs/dbraw/zinc/85/45/09/662854509.db2.gz UWFWFSKMRMYZBN-UHFFFAOYSA-N 1 0 394.317 2.586 20 0 GFADRO COC[C@@H](NC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1)c1cccc(Br)c1 ZINC000876232926 662857616 /nfs/dbraw/zinc/85/76/16/662857616.db2.gz UFNGBMYMBCDDFF-IAGOWNOFSA-N 1 0 394.313 2.792 20 0 GFADRO C[C@H](NC(=O)/C=C\[C@H]1CCC[NH2+]C1)c1cc2c(cc1Br)OCCO2 ZINC000876607761 662863453 /nfs/dbraw/zinc/86/34/53/662863453.db2.gz ZFQYRQOXMGCYIU-OEFFGFFESA-N 1 0 395.297 2.953 20 0 GFADRO O=C(CC[NH2+]CC1CC1)NC1(c2cccc(Br)c2)CCOCC1 ZINC000876615880 662863510 /nfs/dbraw/zinc/86/35/10/662863510.db2.gz NVPPVNIYMFAESS-UHFFFAOYSA-N 1 0 381.314 2.961 20 0 GFADRO COC(=O)c1ccc(CN2CCC(OCC[NH+](C)C)CC2)cc1Br ZINC000876720780 662865356 /nfs/dbraw/zinc/86/53/56/662865356.db2.gz ITYXOOJWVJZUMD-UHFFFAOYSA-N 1 0 399.329 2.778 20 0 GFADRO COCCOC[C@H]1CC[N@H+](Cc2ccc(C(=O)OC)c(Br)c2)C1 ZINC000876774614 662866103 /nfs/dbraw/zinc/86/61/03/662866103.db2.gz BDISZUMSNXVMCD-AWEZNQCLSA-N 1 0 386.286 2.721 20 0 GFADRO Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)Nc1cc(Br)ccc1O ZINC000876827946 662867079 /nfs/dbraw/zinc/86/70/79/662867079.db2.gz IZVQOLHWXBKEHW-GFCCVEGCSA-N 1 0 379.258 2.836 20 0 GFADRO CC(C)n1ncc(C(=O)N2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)c1Br ZINC000876921096 662868162 /nfs/dbraw/zinc/86/81/62/662868162.db2.gz KDOOKDGDHMDOTO-DZGCQCFKSA-N 1 0 399.333 2.585 20 0 GFADRO COc1cnc(F)c(C[NH2+]CCNC(=O)c2ccc(Br)cc2)c1 ZINC000876957890 662868631 /nfs/dbraw/zinc/86/86/31/662868631.db2.gz KMJTXHJFZXFJCV-UHFFFAOYSA-N 1 0 382.233 2.511 20 0 GFADRO C[C@@H]1[C@@H](c2ccc(Br)cc2)OCCN1C(=O)[C@@H](F)[C@H]1CC[NH2+]C1 ZINC000876963839 662868741 /nfs/dbraw/zinc/86/87/41/662868741.db2.gz ZQLBXWDANYAXSP-XTBFLFJDSA-N 1 0 385.277 2.685 20 0 GFADRO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)[C@@H]2C[C@@]2(C)Br)cc1F ZINC000876966500 662868903 /nfs/dbraw/zinc/86/89/03/662868903.db2.gz RYWHWVXDYQCMBX-MYLCLEHYSA-N 1 0 385.277 2.570 20 0 GFADRO COC(=O)c1sc2c(c1Br)CN(C(=O)[C@@H]1C[C@@H]([NH3+])C1(C)C)C2 ZINC000876981503 662869193 /nfs/dbraw/zinc/86/91/93/662869193.db2.gz RFOUPKLTYZOCFF-WCBMZHEXSA-N 1 0 387.299 2.513 20 0 GFADRO COC(=O)c1sc2c(c1Br)CN(C(=O)[C@@H]1C[C@H]([NH3+])C1(C)C)C2 ZINC000876981504 662869206 /nfs/dbraw/zinc/86/92/06/662869206.db2.gz RFOUPKLTYZOCFF-WPRPVWTQSA-N 1 0 387.299 2.513 20 0 GFADRO C[C@@H]([NH3+])CN(C)C(=O)c1cc(I)cc(C(F)(F)F)c1 ZINC000877099290 662871090 /nfs/dbraw/zinc/87/10/90/662871090.db2.gz JRENLFKCUYTVFL-SSDOTTSWSA-N 1 0 386.155 2.729 20 0 GFADRO C[C@@H]([NH3+])CN(C)C(=O)c1nn(-c2cccc(Br)c2)c2c1CCC2 ZINC000877101920 662871096 /nfs/dbraw/zinc/87/10/96/662871096.db2.gz UUTQZLUTFUDXFB-LLVKDONJSA-N 1 0 377.286 2.543 20 0 GFADRO [NH3+]Cc1ccc2c(c1)N(C(=O)c1sc(N3CCCC3)nc1Cl)CCO2 ZINC000877121659 662871488 /nfs/dbraw/zinc/87/14/88/662871488.db2.gz YNFVBAGRDFJSBU-UHFFFAOYSA-N 1 0 378.885 2.895 20 0 GFADRO C[NH2+]CCc1ccccc1C(=O)N[C@H]1COc2cccc(Br)c2C1 ZINC000877259364 662872620 /nfs/dbraw/zinc/87/26/20/662872620.db2.gz GFRMYELSGVTKNB-CQSZACIVSA-N 1 0 389.293 2.945 20 0 GFADRO O=C(C[C@H]1C[NH2+]CCO1)Nc1ccc(Br)c(Br)c1 ZINC000877265075 662872828 /nfs/dbraw/zinc/87/28/28/662872828.db2.gz GMSLRTVQWRLIBI-VIFPVBQESA-N 1 0 378.064 2.529 20 0 GFADRO O=C(c1ccc(Cl)c(I)c1)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000877281738 662873174 /nfs/dbraw/zinc/87/31/74/662873174.db2.gz ALMIJADGSDYYRU-QWHCGFSZSA-N 1 0 390.652 2.911 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)Cc2csc(CCC(F)(F)F)n2)C[C@@H]1C(F)(F)F ZINC000877356538 662874297 /nfs/dbraw/zinc/87/42/97/662874297.db2.gz SHMWGBRYOWLYOE-SCZZXKLOSA-N 1 0 389.365 2.776 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)c2cc(F)c(F)cc2Br)C[C@H]1C(F)(F)F ZINC000877361490 662874535 /nfs/dbraw/zinc/87/45/35/662874535.db2.gz UROFZCIBYXZPKO-HTRCEHHLSA-N 1 0 387.146 2.937 20 0 GFADRO O=C(N[C@@H]1CCCCC12CC[NH2+]CC2)c1cnn2cc(Br)cnc12 ZINC000877405279 662875634 /nfs/dbraw/zinc/87/56/34/662875634.db2.gz GLFLKGMGSMNPIC-CQSZACIVSA-N 1 0 392.301 2.534 20 0 GFADRO O=C(N[C@@H]1CCCCC12CC[NH2+]CC2)c1cc(I)c[nH]1 ZINC000877405099 662875635 /nfs/dbraw/zinc/87/56/35/662875635.db2.gz HXCOQQXDMRZXQN-CYBMUJFWSA-N 1 0 387.265 2.662 20 0 GFADRO COC(=O)c1ccc(CNCCC[N@@H+]2CCCO[C@H](C)C2)cc1Br ZINC000877477830 662876769 /nfs/dbraw/zinc/87/67/69/662876769.db2.gz IAZJFRZHIPRYLP-CQSZACIVSA-N 1 0 399.329 2.826 20 0 GFADRO O=S(=O)(NCCC[NH2+]Cc1nc(Cl)cs1)c1ccccc1Cl ZINC000877495365 662877173 /nfs/dbraw/zinc/87/71/73/662877173.db2.gz ADWVXMABNOIGGH-UHFFFAOYSA-N 1 0 380.322 2.908 20 0 GFADRO CCc1ccc([C@H](O)C[NH2+]Cc2cnn3cc(Br)cnc23)cc1 ZINC000877513996 662877696 /nfs/dbraw/zinc/87/76/96/662877696.db2.gz FYPGGQHXOYXGDE-MRXNPFEDSA-N 1 0 375.270 2.877 20 0 GFADRO Cc1ccnc(CN(C)[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)c1Br ZINC000877527313 662878092 /nfs/dbraw/zinc/87/80/92/662878092.db2.gz YNWLNUIQCVSNFI-INIZCTEOSA-N 1 0 381.362 2.753 20 0 GFADRO O[C@@H](CC[NH2+]Cc1cn(C[C@H]2CCCO2)nn1)c1ccc(Cl)c(Cl)c1 ZINC000877529045 662878235 /nfs/dbraw/zinc/87/82/35/662878235.db2.gz RDEYSHFRZJFMKW-PBHICJAKSA-N 1 0 385.295 2.977 20 0 GFADRO COC(=O)c1ccc(C[N@H+](C[C@H]2CCC(=O)N2)C(C)C)cc1Br ZINC000877591533 662879595 /nfs/dbraw/zinc/87/95/95/662879595.db2.gz FFOHSZYZCGWPMX-CYBMUJFWSA-N 1 0 383.286 2.725 20 0 GFADRO CS(=O)(=O)CC1(CC[NH2+]Cc2nc(Cl)ccc2Br)CC1 ZINC000877619993 662880074 /nfs/dbraw/zinc/88/00/74/662880074.db2.gz APWMHCXOXBHHCI-UHFFFAOYSA-N 1 0 381.723 2.802 20 0 GFADRO O=[S@](CC[NH2+]Cc1ccc(I)s1)CC(F)(F)F ZINC000877623062 662880145 /nfs/dbraw/zinc/88/01/45/662880145.db2.gz WZEJMGUUSWNODO-QGZVFWFLSA-N 1 0 397.225 2.753 20 0 GFADRO COCC[N@@H+](Cc1cc(Br)cnc1OC)CC1CC[NH+](C)CC1 ZINC000877663800 662881206 /nfs/dbraw/zinc/88/12/06/662881206.db2.gz ATJSHRFPZLXFIQ-UHFFFAOYSA-N 1 0 386.334 2.643 20 0 GFADRO CS(=O)(=O)[C@H]1CCC[C@H]([NH2+]Cc2nc(C(F)(F)F)n3c2CCCC3)C1 ZINC000877732888 662882561 /nfs/dbraw/zinc/88/25/61/662882561.db2.gz OZHNFMAPGKTNLG-RYUDHWBXSA-N 1 0 379.448 2.684 20 0 GFADRO OC[C@H]1C[N@H+](Cc2cnc(-c3ccc(Br)cc3)s2)C[C@H]1CO ZINC000877764463 662883218 /nfs/dbraw/zinc/88/32/18/662883218.db2.gz CREPKLHTPLQOHZ-BETUJISGSA-N 1 0 383.311 2.605 20 0 GFADRO Cc1ccccc1C[NH+]1CCN(C[C@H](O)c2cc(Br)no2)CC1 ZINC000877895908 662885483 /nfs/dbraw/zinc/88/54/83/662885483.db2.gz YYZWNVNRHZFWEU-HNNXBMFYSA-N 1 0 380.286 2.597 20 0 GFADRO CC[N@H+](C[C@H](O)c1cc(Br)no1)C[C@H]1COc2ccccc2O1 ZINC000877905669 662885612 /nfs/dbraw/zinc/88/56/12/662885612.db2.gz ANAOKRIPALFSTD-RYUDHWBXSA-N 1 0 383.242 2.632 20 0 GFADRO O=C(C1CC[NH+](CCc2ccccc2Br)CC1)N1CCOCC1 ZINC000877944742 662886656 /nfs/dbraw/zinc/88/66/56/662886656.db2.gz SPFVEJAWXUOMAH-UHFFFAOYSA-N 1 0 381.314 2.562 20 0 GFADRO O[C@H](C[C@@H](O)c1ccccc1)C[NH+]1CCC(n2cc(Br)cn2)CC1 ZINC000878091746 662889719 /nfs/dbraw/zinc/88/97/19/662889719.db2.gz IWEUNHIEUYJPRA-QZTJIDSGSA-N 1 0 394.313 2.767 20 0 GFADRO OC[C@H](C1CC1)[N@@H+](Cc1ccccc1)C[C@H](O)c1cc(Br)no1 ZINC000878298077 662893501 /nfs/dbraw/zinc/89/35/01/662893501.db2.gz GCISPGFKQGLZDM-CABCVRRESA-N 1 0 381.270 2.744 20 0 GFADRO Cc1nc(CN(C)CC[N@H+](C)C2CCN(C)CC2)sc1Br ZINC000878311173 662893690 /nfs/dbraw/zinc/89/36/90/662893690.db2.gz CMJXQRJIVDGJRD-UHFFFAOYSA-N 1 0 375.380 2.672 20 0 GFADRO CC(C)(C)S(=O)(=O)CCC[NH2+][C@H](CO)c1cccc(Br)c1 ZINC000878397044 662895380 /nfs/dbraw/zinc/89/53/80/662895380.db2.gz MSMVLNVUEKBAMO-CQSZACIVSA-N 1 0 378.332 2.676 20 0 GFADRO C[NH+]1CCC(NC(=O)CN2CCC[C@@H]2c2cc(F)cc(Br)c2)CC1 ZINC000878438728 662896462 /nfs/dbraw/zinc/89/64/62/662896462.db2.gz MFJRCNUKUOCOPG-QGZVFWFLSA-N 1 0 398.320 2.936 20 0 GFADRO CC(C)(O)C[C@H](O)C[N@H+](Cc1cccc(Br)c1)C1CCOCC1 ZINC000878491322 662897458 /nfs/dbraw/zinc/89/74/58/662897458.db2.gz YPMKJRNZUSNNHA-KRWDZBQOSA-N 1 0 386.330 2.952 20 0 GFADRO CC(C)[N@H+](C[C@@H](O)COc1ccccc1)C[C@H](O)c1cc(Br)no1 ZINC000878519091 662897933 /nfs/dbraw/zinc/89/79/33/662897933.db2.gz AMSLNEQMNNVDHS-HIFRSBDPSA-N 1 0 399.285 2.621 20 0 GFADRO Cc1noc(C[C@@H]([NH2+]C[C@H](O)c2cc(Br)no2)c2ccccc2)n1 ZINC000878511856 662897943 /nfs/dbraw/zinc/89/79/43/662897943.db2.gz HWQYRZBIRBTLGU-OLZOCXBDSA-N 1 0 393.241 2.736 20 0 GFADRO C[C@@](CO)([NH2+]C[C@@H]1CCC2(CCOCC2)O1)c1ccc(Br)cc1 ZINC000878603687 662899984 /nfs/dbraw/zinc/89/99/84/662899984.db2.gz GILBOUSOIRWHJJ-IRXDYDNUSA-N 1 0 384.314 2.974 20 0 GFADRO OC[C@@H]([NH2+]C[C@H](O)CC1(O)CCCCC1)c1ccc(Br)c(F)c1 ZINC000878645045 662901533 /nfs/dbraw/zinc/90/15/33/662901533.db2.gz GPSUGYPRYXXYBK-CZUORRHYSA-N 1 0 390.293 2.657 20 0 GFADRO C[C@]12CC[N@H+](C[C@@H]3CCc4ncnn43)C[C@H]1C2(Br)Br ZINC000878889092 662908627 /nfs/dbraw/zinc/90/86/27/662908627.db2.gz YFUAEHJHNJANPS-UMNHJUIQSA-N 1 0 390.123 2.593 20 0 GFADRO Cn1cc(Br)cc(NC(=O)NC2CCC(C)([NH+](C)C)CC2)c1=O ZINC000878892863 662908743 /nfs/dbraw/zinc/90/87/43/662908743.db2.gz FGSBWURPTRWJSK-UHFFFAOYSA-N 1 0 385.306 2.532 20 0 GFADRO CC(C)([NH2+]CC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl)[C@H]1CCCCO1 ZINC000879406211 662925447 /nfs/dbraw/zinc/92/54/47/662925447.db2.gz DLFYRPLXZJCIDV-OAHLLOKOSA-N 1 0 388.917 2.619 20 0 GFADRO C[C@H]1CN(C(=O)Nc2ccnc(Br)c2)CCN1c1cc[nH+]cc1 ZINC000879668505 662935742 /nfs/dbraw/zinc/93/57/42/662935742.db2.gz SDPILZMRHFUOCM-LBPRGKRZSA-N 1 0 376.258 2.982 20 0 GFADRO CN(Cc1cscc1Br)C(=O)Nc1ccnn1CC[NH+](C)C ZINC000879672329 662935926 /nfs/dbraw/zinc/93/59/26/662935926.db2.gz MYMRUQSCSSKCEA-UHFFFAOYSA-N 1 0 386.319 2.933 20 0 GFADRO CSC1(CNC(=O)Nc2ccccc2N=S(C)(C)=O)CC[NH+](C)CC1 ZINC000879807225 662939872 /nfs/dbraw/zinc/93/98/72/662939872.db2.gz NMMKIKFRFLRJCN-UHFFFAOYSA-N 1 0 384.571 2.995 20 0 GFADRO Cn1cc(NC(=O)NC2CC[NH+](CC3CCCC3)CC2)c(Br)n1 ZINC000880043415 662946830 /nfs/dbraw/zinc/94/68/30/662946830.db2.gz OGHCERQUUDMOGG-UHFFFAOYSA-N 1 0 384.322 2.959 20 0 GFADRO Cn1cc(NC(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)c(Br)n1 ZINC000880047132 662947155 /nfs/dbraw/zinc/94/71/55/662947155.db2.gz IJLMVGJVZRNQHZ-CQSZACIVSA-N 1 0 392.301 2.969 20 0 GFADRO C[C@H](NC(=O)CN1CC[C@H]2[C@H]1CCC[N@@H+]2C)c1ccc(Br)cc1 ZINC000880129067 662952110 /nfs/dbraw/zinc/95/21/10/662952110.db2.gz CJHDOKLWVFQEFH-RRQGHBQHSA-N 1 0 380.330 2.795 20 0 GFADRO Brc1cc(CN2CCC[C@@H]([NH2+]C3CCOCC3)C2)cc2c1OCO2 ZINC000880207947 662954516 /nfs/dbraw/zinc/95/45/16/662954516.db2.gz CYCRIGLQKXUFRH-OAHLLOKOSA-N 1 0 397.313 2.911 20 0 GFADRO O=c1cc(C[N@@H+]2CC[C@@H](c3nccs3)C2)nc2ccc(Br)cn12 ZINC000880316315 662957839 /nfs/dbraw/zinc/95/78/39/662957839.db2.gz BUVICWQXSOTWMI-LLVKDONJSA-N 1 0 391.294 2.903 20 0 GFADRO CC(=O)N1C[C@@H]2C[N@H+]([C@@H]3CCN(c4ccc(Cl)c(Cl)c4)C3=O)C[C@@H]2C1 ZINC000880311463 662957902 /nfs/dbraw/zinc/95/79/02/662957902.db2.gz HLTMNELLRGVGLG-IIYDPXPESA-N 1 0 382.291 2.509 20 0 GFADRO NC(=O)c1ccc(NC(=O)CC[N@@H+]2CC[C@@H](c3nccs3)C2)cc1Cl ZINC000880319142 662957914 /nfs/dbraw/zinc/95/79/14/662957914.db2.gz BIBXBHJOLCKCFF-LLVKDONJSA-N 1 0 378.885 2.714 20 0 GFADRO CC1([NH+]2CCC2)CCN([C@H](C(N)=O)c2ccc(Br)cc2F)CC1 ZINC000880474734 662960532 /nfs/dbraw/zinc/96/05/32/662960532.db2.gz LFHLHJSESQZUIC-HNNXBMFYSA-N 1 0 384.293 2.675 20 0 GFADRO O[C@H](COc1cc(Cl)ccc1Cl)C[N@@H+]1C[C@@H](O)CC2(CCOCC2)C1 ZINC000880588641 662963454 /nfs/dbraw/zinc/96/34/54/662963454.db2.gz FTKQDLXIYWMECN-GJZGRUSLSA-N 1 0 390.307 2.597 20 0 GFADRO O[C@H](COc1ccc(Cl)c(Cl)c1)C[N@@H+]1C[C@H](O)CC2(CCOCC2)C1 ZINC000880588897 662963557 /nfs/dbraw/zinc/96/35/57/662963557.db2.gz YKOVHSUQRDMXOL-KGLIPLIRSA-N 1 0 390.307 2.597 20 0 GFADRO COc1cc(Br)ccc1NC(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000880630806 662965497 /nfs/dbraw/zinc/96/54/97/662965497.db2.gz KBLOSGSMOGIGCN-CABCVRRESA-N 1 0 398.301 2.521 20 0 GFADRO COc1cc(Br)ccc1NC(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000880630807 662965541 /nfs/dbraw/zinc/96/55/41/662965541.db2.gz KBLOSGSMOGIGCN-GJZGRUSLSA-N 1 0 398.301 2.521 20 0 GFADRO C[N@@H+]1CC[C@H]2CN(C(=O)Nc3c4c(ccc3Br)OCC4)CC[C@@H]21 ZINC000880798297 662969960 /nfs/dbraw/zinc/96/99/60/662969960.db2.gz QPHBSAFJDGJIDG-FZMZJTMJSA-N 1 0 380.286 2.942 20 0 GFADRO CC1([NH+]2CCCC2)CCN(C(=O)c2cccnc2I)CC1 ZINC000881105046 662981844 /nfs/dbraw/zinc/98/18/44/662981844.db2.gz DQIMAXVKCUVOSS-UHFFFAOYSA-N 1 0 399.276 2.777 20 0 GFADRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)Nc1cccc(F)c1Br ZINC000881138496 662982598 /nfs/dbraw/zinc/98/25/98/662982598.db2.gz LWDKIDLEQUEMHS-NSHDSACASA-N 1 0 388.281 2.897 20 0 GFADRO C[N@@H+]1CCN(CCNC(=O)Nc2cccc(F)c2Br)CC1(C)C ZINC000881139258 662982770 /nfs/dbraw/zinc/98/27/70/662982770.db2.gz XZEHQJNRZBFLIS-UHFFFAOYSA-N 1 0 387.297 2.736 20 0 GFADRO Cc1c(Br)cncc1C(=O)N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000881476159 662995557 /nfs/dbraw/zinc/99/55/57/662995557.db2.gz AZTHLNIJLKXIHY-CQSZACIVSA-N 1 0 382.302 2.526 20 0 GFADRO CC[NH+](CC)[C@H](CNc1ccc2nnc(Br)n2n1)c1ccco1 ZINC000881856122 663006339 /nfs/dbraw/zinc/00/63/39/663006339.db2.gz DNFKOOPLMDECBD-LLVKDONJSA-N 1 0 379.262 2.975 20 0 GFADRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)S(=O)(=O)c1cnc(Cl)cc1C(F)(F)F ZINC000881933246 663010246 /nfs/dbraw/zinc/01/02/46/663010246.db2.gz PUIUHSRSZMCEDX-ONGXEEELSA-N 1 0 385.839 2.715 20 0 GFADRO C[C@H](C[NH+](C)C)[C@@H]1CCCCN1S(=O)(=O)c1c(Cl)nc2sccn21 ZINC000882431103 663027548 /nfs/dbraw/zinc/02/75/48/663027548.db2.gz IVXZEPVRANVFHL-NEPJUHHUSA-N 1 0 390.962 2.790 20 0 GFADRO CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(Br)nn1-c1ncccc1Cl ZINC000882497960 663029146 /nfs/dbraw/zinc/02/91/46/663029146.db2.gz OKLNKLTYOAJVKV-SNVBAGLBSA-N 1 0 398.692 2.507 20 0 GFADRO CN(CCCC[NH+]1CCCCC1)C(=O)c1c(Br)nc2n1CCOC2 ZINC000882625778 663033964 /nfs/dbraw/zinc/03/39/64/663033964.db2.gz PHYUGHXQGWLLJE-UHFFFAOYSA-N 1 0 399.333 2.514 20 0 GFADRO CC1([NH+]2CCC2)CCN(S(=O)(=O)Cc2cccc(Br)c2)CC1 ZINC000882768013 663041048 /nfs/dbraw/zinc/04/10/48/663041048.db2.gz MHTCNNUSCZZKCL-UHFFFAOYSA-N 1 0 387.343 2.839 20 0 GFADRO Cn1cc([C@H](O)C[NH2+]Cc2cc(Br)sc2Br)cn1 ZINC000883018708 663046861 /nfs/dbraw/zinc/04/68/61/663046861.db2.gz MSGSAKSHUSCVTO-SECBINFHSA-N 1 0 395.120 2.830 20 0 GFADRO COCO[C@H](C)c1cc(F)c(C[NH2+]CCN(C)OC)cc1Br ZINC000883171299 663050883 /nfs/dbraw/zinc/05/08/83/663050883.db2.gz UWTMDYRATWYUGI-LLVKDONJSA-N 1 0 379.270 2.853 20 0 GFADRO COC[C@H]([NH2+]C[C@H](CO)Cc1ccc(Br)cc1)[C@H]1CCCOC1 ZINC000883219564 663051538 /nfs/dbraw/zinc/05/15/38/663051538.db2.gz VWEOOHJXQDXESO-RYRKJORJSA-N 1 0 386.330 2.631 20 0 GFADRO CC[C@H](Cc1ccc(Cl)cc1Cl)[NH2+]Cc1nnc2c(=O)n(C)ccn12 ZINC000883332917 663053558 /nfs/dbraw/zinc/05/35/58/663053558.db2.gz GYHIRGQJZJEGDN-CYBMUJFWSA-N 1 0 380.279 2.846 20 0 GFADRO COc1ncc(Br)cc1C[NH2+]C[C@@H](O)C(F)(F)C(F)(F)F ZINC000883368621 663054111 /nfs/dbraw/zinc/05/41/11/663054111.db2.gz VKQKIERFFPZRML-MRVPVSSYSA-N 1 0 379.123 2.501 20 0 GFADRO [NH3+]CCN(Cc1nc(-c2cc(Br)cs2)no1)CC(F)(F)F ZINC000883445213 663055206 /nfs/dbraw/zinc/05/52/06/663055206.db2.gz NHEUJKZLCLIUIW-UHFFFAOYSA-N 1 0 385.209 2.884 20 0 GFADRO Cc1cc(Br)c(Cl)cc1S(=O)(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000883466215 663055502 /nfs/dbraw/zinc/05/55/02/663055502.db2.gz IIMXNOUNLVCULT-NXEZZACHSA-N 1 0 381.723 2.769 20 0 GFADRO CCC1([NH3+])CCN(S(=O)(=O)c2cc(Cl)ccc2O[C@@H](C)COC)CC1 ZINC000883483440 663056068 /nfs/dbraw/zinc/05/60/68/663056068.db2.gz HAUWGFPXGDNJNW-ZDUSSCGKSA-N 1 0 390.933 2.646 20 0 GFADRO CCC1([NH3+])CCN(S(=O)(=O)c2c3ccccc3sc2C(=O)OC)CC1 ZINC000883483847 663056169 /nfs/dbraw/zinc/05/61/69/663056169.db2.gz WBIBYRKVWQNIIT-UHFFFAOYSA-N 1 0 382.507 2.580 20 0 GFADRO C[NH2+]C[C@H]1CCCCN1C(=O)Nc1cc2c(cc1Br)OCCO2 ZINC000883524161 663056640 /nfs/dbraw/zinc/05/66/40/663056640.db2.gz PRRSFYNOGGHXKI-LLVKDONJSA-N 1 0 384.274 2.826 20 0 GFADRO Cc1csc([C@@H](NC(=O)N2CCc3sc(C[NH3+])nc3C2)C(F)(F)F)n1 ZINC000883567260 663057292 /nfs/dbraw/zinc/05/72/92/663057292.db2.gz SVNSMNREGZURCA-LLVKDONJSA-N 1 0 391.444 2.738 20 0 GFADRO CCC1([NH3+])CCN(C(=O)C(=O)Nc2ccc3nc(SC)sc3c2)CC1 ZINC000883629383 663058374 /nfs/dbraw/zinc/05/83/74/663058374.db2.gz SOGGIDAVMOJOEF-UHFFFAOYSA-N 1 0 378.523 2.687 20 0 GFADRO O=C(NCCC[C@H]1CC1(Cl)Cl)N1CCC([NH2+]C2CCOCC2)CC1 ZINC000883765520 663060354 /nfs/dbraw/zinc/06/03/54/663060354.db2.gz YDKMNCIEUWOQMU-ZDUSSCGKSA-N 1 0 378.344 2.903 20 0 GFADRO O=C(NCCSCCC(F)(F)F)N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000883803456 663061095 /nfs/dbraw/zinc/06/10/95/663061095.db2.gz GBDOAOUOTSUEDJ-CQSZACIVSA-N 1 0 383.480 2.615 20 0 GFADRO [NH3+][C@H](C(=O)NC[C@H](CO)Cc1ccc(F)cc1)c1ccc(Br)cc1 ZINC000884080040 663064634 /nfs/dbraw/zinc/06/46/34/663064634.db2.gz IYBLYZWTTUSQCN-DYVFJYSZSA-N 1 0 395.272 2.555 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)c2cc(Br)nn2-c2ncccc2Cl)CC[NH2+]1 ZINC000884273098 663067911 /nfs/dbraw/zinc/06/79/11/663067911.db2.gz JLCZLLCEXOCSMC-NXEZZACHSA-N 1 0 398.692 2.554 20 0 GFADRO [NH3+][C@H](C(=O)N1CCC([C@@H](O)C(F)(F)F)CC1)c1ccc(Br)cc1 ZINC000884378567 663069747 /nfs/dbraw/zinc/06/97/47/663069747.db2.gz WOXNPDORCZZBLC-QWHCGFSZSA-N 1 0 395.219 2.611 20 0 GFADRO Cc1csc(C[C@H]2CCCN(CN3C(=O)C[C@@]4(CCSC4)C3=O)C2)n1 ZINC000884473414 663071162 /nfs/dbraw/zinc/07/11/62/663071162.db2.gz WJPBQHIXUSSRNE-RDTXWAMCSA-N 1 0 379.551 2.546 20 0 GFADRO Cc1cnc(Cl)c(S(=O)(=O)N(Cc2ccco2)C2CC[NH+](C)CC2)c1 ZINC000884908612 663078099 /nfs/dbraw/zinc/07/80/99/663078099.db2.gz WLNANODPSSQQJX-UHFFFAOYSA-N 1 0 383.901 2.922 20 0 GFADRO O=S(=O)(/C=C\c1ccccc1Br)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000884950187 663079177 /nfs/dbraw/zinc/07/91/77/663079177.db2.gz LXZPFPPKUBGJPV-TYJMOYENSA-N 1 0 385.327 2.966 20 0 GFADRO COc1ccc(S(=O)(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)c(Cl)c1Cl ZINC000884953168 663079341 /nfs/dbraw/zinc/07/93/41/663079341.db2.gz UYPPBUDVHXXXIY-QWRGUYRKSA-N 1 0 379.309 2.907 20 0 GFADRO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000885010437 663083006 /nfs/dbraw/zinc/08/30/06/663083006.db2.gz OOVFEQQZXMHNOX-BTTYYORXSA-N 1 0 384.307 2.599 20 0 GFADRO C[NH+](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(F)c(O)cc1Cl ZINC000885680523 663094820 /nfs/dbraw/zinc/09/48/20/663094820.db2.gz TUCQLUCIPMJVAT-LBPRGKRZSA-N 1 0 375.828 2.578 20 0 GFADRO C[C@@H]1CN(c2cc[nH+]cc2)CCN1S(=O)(=O)C[C@@]1(C)CC1(Cl)Cl ZINC000885847851 663099098 /nfs/dbraw/zinc/09/90/98/663099098.db2.gz LPSBKHNICJITRZ-TZMCWYRMSA-N 1 0 378.325 2.506 20 0 GFADRO O=C(NC[C@H]1CC[N@@H+]1C1CCOCC1)[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000885888748 663100546 /nfs/dbraw/zinc/10/05/46/663100546.db2.gz PITLGNFMKZIJJT-FGTMMUONSA-N 1 0 393.325 2.922 20 0 GFADRO Cc1cc(Br)c(CC(=O)NC[C@H]2CC[N@@H+]2C2CCOCC2)s1 ZINC000885895799 663100832 /nfs/dbraw/zinc/10/08/32/663100832.db2.gz NOQLOFFLEWVILP-CYBMUJFWSA-N 1 0 387.343 2.731 20 0 GFADRO OC[C@@H](C[C@H]1CCCO1)[NH2+]Cc1nc(-c2cccc(Br)c2)c[nH]1 ZINC000886229047 663105345 /nfs/dbraw/zinc/10/53/45/663105345.db2.gz KGQKWHDRXBEHAH-HUUCEWRRSA-N 1 0 380.286 2.859 20 0 GFADRO O[C@@H]1CC[C@H]([NH2+]C2CCN(Cc3ccccc3Br)CC2)CC[C@@H]1O ZINC000886260218 663106350 /nfs/dbraw/zinc/10/63/50/663106350.db2.gz RKXYLUKBYKRPHU-IDHPPYADSA-N 1 0 397.357 2.668 20 0 GFADRO C[C@H]([NH2+][C@H](CO)C[C@@H]1CCCO1)c1ccc(I)cc1 ZINC000886666627 663115298 /nfs/dbraw/zinc/11/52/98/663115298.db2.gz WRWZWPDLCSBUFI-CQDKDKBSSA-N 1 0 375.250 2.872 20 0 GFADRO CCC1([NH+]2CCC2)CCN(CC(=O)Nc2ccc(Br)cn2)CC1 ZINC000886712555 663116120 /nfs/dbraw/zinc/11/61/20/663116120.db2.gz GQNZUXPFEKVCJR-UHFFFAOYSA-N 1 0 381.318 2.733 20 0 GFADRO OC[C@@]1(C(F)(F)F)CC[N@H+](C[C@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000886793318 663118924 /nfs/dbraw/zinc/11/89/24/663118924.db2.gz HAMLNOUNXNMRQR-IINYFYTJSA-N 1 0 388.213 2.980 20 0 GFADRO CC(C)[NH+]1CCC(C(=O)NC2(c3ncc(Br)cn3)CCC2)CC1 ZINC000886838846 663121629 /nfs/dbraw/zinc/12/16/29/663121629.db2.gz LDUAAKJOWLXDRR-UHFFFAOYSA-N 1 0 381.318 2.855 20 0 GFADRO COC[C@H]([NH2+]Cc1ccc(OC)c(OC)c1Br)[C@H]1CCCOC1 ZINC000886908617 663124427 /nfs/dbraw/zinc/12/44/27/663124427.db2.gz WCNMGTHUYQLGIG-KBPBESRZSA-N 1 0 388.302 2.998 20 0 GFADRO COC[C@H]([NH2+]C[C@@](C)(O)c1ccc(Br)cc1F)[C@H]1CCCOC1 ZINC000886915628 663124968 /nfs/dbraw/zinc/12/49/68/663124968.db2.gz HGNUPTPKTRNYDS-AFAVFJNCSA-N 1 0 390.293 2.827 20 0 GFADRO [NH3+][C@H]1CCCN(Cc2cn(Cc3ccc(Br)c(Cl)c3)nn2)C1 ZINC000887445039 663146697 /nfs/dbraw/zinc/14/66/97/663146697.db2.gz WWGGIQWLEPEGNK-LBPRGKRZSA-N 1 0 384.709 2.665 20 0 GFADRO [NH3+][C@H]1CCCN(Cc2cn(Cc3cc(Cl)ccc3Br)nn2)C1 ZINC000887446825 663146817 /nfs/dbraw/zinc/14/68/17/663146817.db2.gz LHDXNNHIVCUOKX-ZDUSSCGKSA-N 1 0 384.709 2.665 20 0 GFADRO Fc1cccc(Cl)c1-c1nc(-c2cn(C[C@H]3C[NH2+]CCO3)nn2)cs1 ZINC000887519468 663150790 /nfs/dbraw/zinc/15/07/90/663150790.db2.gz VMCXNRPXZFZEHB-SNVBAGLBSA-N 1 0 379.848 2.850 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)c1nn2c(c1Br)CCC2)c1ccccc1 ZINC000887650935 663156491 /nfs/dbraw/zinc/15/64/91/663156491.db2.gz VXSIYZMXZYGXQC-AWEZNQCLSA-N 1 0 377.286 2.625 20 0 GFADRO C[N@H+](CCCNC(=O)c1nn2c(c1Br)CCC2)Cc1ccccc1 ZINC000887775942 663161070 /nfs/dbraw/zinc/16/10/70/663161070.db2.gz OCIPOUGJXGXMPE-UHFFFAOYSA-N 1 0 391.313 2.844 20 0 GFADRO C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000887935283 663170885 /nfs/dbraw/zinc/17/08/85/663170885.db2.gz PJNUWAVLALQLNO-OAVHHTNSSA-N 1 0 384.307 2.522 20 0 GFADRO Cc1cc(Cl)c(NC(=O)NCC[N@@H+]2CC[C@@H](O)C2)cc1Br ZINC000888430169 663197523 /nfs/dbraw/zinc/19/75/23/663197523.db2.gz OYYSSKDJZBQFKO-SNVBAGLBSA-N 1 0 376.682 2.599 20 0 GFADRO Cc1c(Br)cncc1NC(=O)[C@H]1CC[N@@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000888902688 663224483 /nfs/dbraw/zinc/22/44/83/663224483.db2.gz ZUILQBNYDZONIB-UONOGXRCSA-N 1 0 392.301 2.560 20 0 GFADRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cn(C)nc1Br ZINC000889293204 663239834 /nfs/dbraw/zinc/23/98/34/663239834.db2.gz HUELYRNXHIAVBF-OAHLLOKOSA-N 1 0 391.313 2.777 20 0 GFADRO C[C@H]1C[C@@H](NC(=O)c2cn(C)nc2Br)CC[N@@H+]1Cc1ccccc1 ZINC000889401649 663243728 /nfs/dbraw/zinc/24/37/28/663243728.db2.gz ONCCKDVALAOJDX-ZFWWWQNUSA-N 1 0 391.313 2.966 20 0 GFADRO O=C(c1c(Cl)cccc1Br)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000889750960 663262729 /nfs/dbraw/zinc/26/27/29/663262729.db2.gz RCIKRFOIMYMPIX-UONOGXRCSA-N 1 0 387.705 2.774 20 0 GFADRO O=C(c1cc(Br)ccc1Cl)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000889780628 663266289 /nfs/dbraw/zinc/26/62/89/663266289.db2.gz KVGIGRRJOIWOCG-GJZGRUSLSA-N 1 0 387.705 2.774 20 0 GFADRO O=C(Cc1ccc(I)cc1)N1CCC([NH2+]C2CCC2)CC1 ZINC000889828155 663270825 /nfs/dbraw/zinc/27/08/25/663270825.db2.gz VXMNAWNFJZNGCQ-UHFFFAOYSA-N 1 0 398.288 2.967 20 0 GFADRO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)c1cn(C)nc1Br)[NH+](C)C ZINC000890125985 663284898 /nfs/dbraw/zinc/28/48/98/663284898.db2.gz NPIOWCPTOGFRFW-IUODEOHRSA-N 1 0 379.302 2.912 20 0 GFADRO Cc1ccccc1[C@H]([C@H](C)NC(=O)c1cn(C)nc1Br)[NH+](C)C ZINC000890125987 663284948 /nfs/dbraw/zinc/28/49/48/663284948.db2.gz NPIOWCPTOGFRFW-WFASDCNBSA-N 1 0 379.302 2.912 20 0 GFADRO O=C(NCCc1ccc(F)c(Br)c1)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000891397525 663338313 /nfs/dbraw/zinc/33/83/13/663338313.db2.gz WCEPBWIFXHAATE-NSHDSACASA-N 1 0 394.235 2.675 20 0 GFADRO C[C@@H](Cc1cccc(Br)c1)NC(=O)NC[C@H]1C[NH2+]CCC1(F)F ZINC000891438442 663339630 /nfs/dbraw/zinc/33/96/30/663339630.db2.gz SDZLXHWCYMVXRH-WCQYABFASA-N 1 0 390.272 2.924 20 0 GFADRO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)NCc1cc(Br)ccc1OC(F)F ZINC000891471590 663340345 /nfs/dbraw/zinc/34/03/45/663340345.db2.gz JICUBBHBPRZFSI-LDYMZIIASA-N 1 0 378.217 2.682 20 0 GFADRO Nc1cc[nH+]c(CNC(=O)N[C@H]2CCN(c3ccc(Br)cc3)C2)c1 ZINC000891506750 663341886 /nfs/dbraw/zinc/34/18/86/663341886.db2.gz LDMZZQGAEPLMJP-AWEZNQCLSA-N 1 0 390.285 2.504 20 0 GFADRO [NH3+]Cc1nc2c(s1)CCN(C(=O)NCCOCc1ccc(Cl)cc1)C2 ZINC000891711514 663348220 /nfs/dbraw/zinc/34/82/20/663348220.db2.gz LFNMKSFDLRZXGR-UHFFFAOYSA-N 1 0 380.901 2.540 20 0 GFADRO C[C@](CO)(NC(=O)NC1CC[NH+](C2CC2)CC1)c1cccc(Br)c1 ZINC000891710049 663348292 /nfs/dbraw/zinc/34/82/92/663348292.db2.gz FSDRJUIFNUUGFM-GOSISDBHSA-N 1 0 396.329 2.583 20 0 GFADRO Nc1cc[nH+]c(CNC(=O)N[C@@H]2CCOc3c(Br)cccc32)c1 ZINC000891881091 663354042 /nfs/dbraw/zinc/35/40/42/663354042.db2.gz BFTBKTHHLAMONY-CQSZACIVSA-N 1 0 377.242 2.749 20 0 GFADRO COC[C@H](CNC(=O)NC[C@H]1C[NH2+]CCC1(F)F)c1ccc(Cl)cc1 ZINC000891935369 663355820 /nfs/dbraw/zinc/35/58/20/663355820.db2.gz GVLGZEAOFWBGGW-UONOGXRCSA-N 1 0 375.847 2.614 20 0 GFADRO Cc1ncc(CC(=O)Nc2cc(Br)ccc2N(C)CC[NH+](C)C)o1 ZINC000891986541 663357581 /nfs/dbraw/zinc/35/75/81/663357581.db2.gz SKDLLMKKHBLKBK-UHFFFAOYSA-N 1 0 395.301 2.925 20 0 GFADRO CN(C[C@H](O)COc1cc(Cl)cc(Cl)c1)C(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000892170962 663364302 /nfs/dbraw/zinc/36/43/02/663364302.db2.gz UUMDDNJAXYRZGU-GLQYFDAESA-N 1 0 390.311 2.502 20 0 GFADRO Cc1ccc([C@@H](CNC(=O)NCc2ncc(Br)cn2)[NH+](C)C)cc1 ZINC000892409307 663372536 /nfs/dbraw/zinc/37/25/36/663372536.db2.gz BLJFGVGHRHMTKL-OAHLLOKOSA-N 1 0 392.301 2.650 20 0 GFADRO [NH3+][C@H]1C[C@H](CNC(=O)N2CC3(CCOCC3)c3ccc(Br)cc32)C1 ZINC000892564714 663377463 /nfs/dbraw/zinc/37/74/63/663377463.db2.gz CYVHXVGYCMZGDT-MQMHXKEQSA-N 1 0 394.313 2.764 20 0 GFADRO COC[C@@H](NC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cccc(Br)c1 ZINC000892584910 663377880 /nfs/dbraw/zinc/37/78/80/663377880.db2.gz QTJUTCGCDZRQTF-VJUNAUMWSA-N 1 0 396.329 2.966 20 0 GFADRO [NH3+]C[C@@H]1c2ccccc2CCN1C(=O)NCc1ccc(Br)cn1 ZINC000892615264 663378725 /nfs/dbraw/zinc/37/87/25/663378725.db2.gz BULROMVNOYKAPT-MRXNPFEDSA-N 1 0 375.270 2.612 20 0 GFADRO C[C@@]1(Br)C[C@@H]1C[NH2+]Cc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000892770966 663384034 /nfs/dbraw/zinc/38/40/34/663384034.db2.gz PDNPZPBJQRORDB-GDBMZVCRSA-N 1 0 387.343 2.734 20 0 GFADRO C[C@@]1(NC(=O)c2c(F)cccc2I)C[NH+]2CCC1CC2 ZINC000892780878 663384397 /nfs/dbraw/zinc/38/43/97/663384397.db2.gz VUFVJLWCLSJRTI-OAHLLOKOSA-N 1 0 388.224 2.644 20 0 GFADRO CC(C)NS(=O)(=O)Cc1ccc(C[NH2+]C[C@H]2C[C@]2(C)Br)cc1 ZINC000892930382 663390111 /nfs/dbraw/zinc/39/01/11/663390111.db2.gz VPEQGEDMUPEAIT-CVEARBPZSA-N 1 0 389.359 2.778 20 0 GFADRO Cc1ncc(I)c(N2CC[C@H](C3CC[NH+](C)CC3)C2)n1 ZINC000892984987 663392017 /nfs/dbraw/zinc/39/20/17/663392017.db2.gz ZZSSEGAVDTXDFY-ZDUSSCGKSA-N 1 0 386.281 2.558 20 0 GFADRO Cn1ncc(C[NH2+]C[C@H](O)COc2ccccc2Br)c1C1CC1 ZINC000893171849 663399950 /nfs/dbraw/zinc/39/99/50/663399950.db2.gz KCPRVLRUXJLEIU-AWEZNQCLSA-N 1 0 380.286 2.590 20 0 GFADRO Cn1nc(Br)nc1CN1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000893994946 663435905 /nfs/dbraw/zinc/43/59/05/663435905.db2.gz FWIBYLZFAWOTIM-UHFFFAOYSA-N 1 0 392.345 2.922 20 0 GFADRO CCN(C[C@H]1CC[N@H+](Cc2c3c(nn2C)CCSC3)C1)CC(F)(F)F ZINC000894087095 663442018 /nfs/dbraw/zinc/44/20/18/663442018.db2.gz VESFSKRJMGXOBM-CYBMUJFWSA-N 1 0 376.492 2.916 20 0 GFADRO CC[N@H+](CCC1CCN(Cc2nc(Br)nn2C)CC1)CC1CC1 ZINC000894137076 663444967 /nfs/dbraw/zinc/44/49/67/663444967.db2.gz JVXWMMATHUYCLV-UHFFFAOYSA-N 1 0 384.366 2.912 20 0 GFADRO Clc1nc(N2CCOCC2)sc1C[NH2+]C[C@H]1COc2ccccc2O1 ZINC000894161922 663446069 /nfs/dbraw/zinc/44/60/69/663446069.db2.gz YLJZPQKELVCCRE-LBPRGKRZSA-N 1 0 381.885 2.563 20 0 GFADRO CCOCc1ccccc1CNCc1cn(C)nc1I ZINC000894165724 663446343 /nfs/dbraw/zinc/44/63/43/663446343.db2.gz SLKOLOASXQQKFM-UHFFFAOYSA-N 1 0 385.249 2.851 20 0 GFADRO FC(F)(F)CN1CC[C@@H](C[NH2+]Cc2sc(N3CCOCC3)nc2Cl)C1 ZINC000894189770 663447687 /nfs/dbraw/zinc/44/76/87/663447687.db2.gz DPCRLJBFVSVULQ-NSHDSACASA-N 1 0 398.882 2.607 20 0 GFADRO C[C@H]1C[C@H](NCc2nc(Br)nn2C)CC[N@@H+]1Cc1ccccc1 ZINC000894324951 663454612 /nfs/dbraw/zinc/45/46/12/663454612.db2.gz KWXYQYCJUCAHFG-DZGCQCFKSA-N 1 0 378.318 2.720 20 0 GFADRO CC(C)[NH+](CCCNCc1c(I)cnn1C)C(C)C ZINC000894324859 663454737 /nfs/dbraw/zinc/45/47/37/663454737.db2.gz CKTWJZCJQZKUPE-UHFFFAOYSA-N 1 0 378.302 2.623 20 0 GFADRO Cn1ncc(I)c1C[NH2+]CCc1cc2ccccc2[nH]1 ZINC000894358532 663457354 /nfs/dbraw/zinc/45/73/54/663457354.db2.gz HGAKHLQTRHLKKZ-UHFFFAOYSA-N 1 0 380.233 2.838 20 0 GFADRO Cn1cc(C[NH2+][C@H]2CCO[C@@H](C(C)(C)C)C2)c(I)n1 ZINC000894367023 663458253 /nfs/dbraw/zinc/45/82/53/663458253.db2.gz QOSZYGLRAKSCGQ-NWDGAFQWSA-N 1 0 377.270 2.708 20 0 GFADRO CC1([C@H]2CCC[N@H+](Cc3sc(N4CCOCC4)nc3Cl)C2)OCCO1 ZINC000894450364 663462306 /nfs/dbraw/zinc/46/23/06/663462306.db2.gz ZMPVWQAAXBJDPX-ZDUSSCGKSA-N 1 0 387.933 2.608 20 0 GFADRO COC(=O)c1cnc(C[NH2+]C[C@H](CO)Cc2ccccc2Br)s1 ZINC000894562572 663468646 /nfs/dbraw/zinc/46/86/46/663468646.db2.gz RZNLGJHBHBOTOL-LLVKDONJSA-N 1 0 399.310 2.633 20 0 GFADRO O=S(=O)(CCC[NH2+][C@@H]1CCC2(C[C@@H]1F)OCCO2)c1ccc(Cl)cc1 ZINC000894651223 663474660 /nfs/dbraw/zinc/47/46/60/663474660.db2.gz PGDWZNSNANVIIC-JKSUJKDBSA-N 1 0 391.892 2.727 20 0 GFADRO COC(=O)c1cc(C[NH2+]C2CCN(C(=O)c3cc(Cl)c[nH]3)CC2)cs1 ZINC000894752097 663479673 /nfs/dbraw/zinc/47/96/73/663479673.db2.gz HKKUDDDRFXPIMZ-UHFFFAOYSA-N 1 0 381.885 2.911 20 0 GFADRO CNC(=O)CC[C@H]1CCCC[N@@H+]1Cc1sc(N2CCOCC2)nc1Cl ZINC000894754486 663479681 /nfs/dbraw/zinc/47/96/81/663479681.db2.gz DGCIOBZSHVDSLP-CYBMUJFWSA-N 1 0 386.949 2.514 20 0 GFADRO O=C1CC[C@@H]([NH+]2CCN(Cc3cc4ccnc(Cl)c4s3)CC2)CCN1 ZINC000894930804 663489077 /nfs/dbraw/zinc/48/90/77/663489077.db2.gz WBPHVGYKXYVJBC-CQSZACIVSA-N 1 0 378.929 2.736 20 0 GFADRO C[NH+](C)CC1(O)CCN(c2ccc(Br)c(C(F)(F)F)n2)CC1 ZINC000894957078 663491545 /nfs/dbraw/zinc/49/15/45/663491545.db2.gz UVYLSHPLOJUULY-UHFFFAOYSA-N 1 0 382.224 2.756 20 0 GFADRO Cn1ncc(I)c1C[N@@H+]1CCSC2(CCC2)CC1 ZINC000894986536 663493589 /nfs/dbraw/zinc/49/35/89/663493589.db2.gz OQULHBOSEJXQKR-UHFFFAOYSA-N 1 0 377.295 2.886 20 0 GFADRO NC(=O)[C@@H]1C[N@H+](Cc2cnc3ccc(Br)cn23)C[C@H]1c1ccccc1 ZINC000895005873 663494709 /nfs/dbraw/zinc/49/47/09/663494709.db2.gz AYWSUVDVNDTYRY-DLBZAZTESA-N 1 0 399.292 2.798 20 0 GFADRO C[N@@H+]1CC[C@H]2CN(c3ncnc4c3c(Br)nn4C(C)(C)C)CC[C@@H]21 ZINC000895021602 663495736 /nfs/dbraw/zinc/49/57/36/663495736.db2.gz HLFADCOYLZZTNU-RYUDHWBXSA-N 1 0 393.333 2.874 20 0 GFADRO Cn1cc(C[NH2+]C[C@H]2CC23CCSCC3)c(I)n1 ZINC000895028996 663496323 /nfs/dbraw/zinc/49/63/23/663496323.db2.gz BYBLJVUEZOWLPI-LLVKDONJSA-N 1 0 377.295 2.648 20 0 GFADRO Cn1cc(C[NH2+][C@@H]2[C@@H]3Cc4cc(F)ccc4[C@@H]32)c(I)n1 ZINC000895341800 663509183 /nfs/dbraw/zinc/50/91/83/663509183.db2.gz FZMRKDFLMJIGAP-HZSPNIEDSA-N 1 0 383.208 2.592 20 0 GFADRO Cn1ncc(I)c1CNC[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000895391154 663511366 /nfs/dbraw/zinc/51/13/66/663511366.db2.gz UDZBFRLVTMBDGV-ZDUSSCGKSA-N 1 0 388.297 2.521 20 0 GFADRO O=C(OCc1ccccc1)N1CC[C@H]([NH2+]Cc2cnc(Br)cn2)C1 ZINC000895407649 663512179 /nfs/dbraw/zinc/51/21/79/663512179.db2.gz WGCUBDVGOVRQNU-AWEZNQCLSA-N 1 0 391.269 2.740 20 0 GFADRO COc1cc(Br)c(C[NH+]2CCC3(CC2)COCCO3)c(OC)c1 ZINC000895695857 663523804 /nfs/dbraw/zinc/52/38/04/663523804.db2.gz IIENNUYRZASNOC-UHFFFAOYSA-N 1 0 386.286 2.848 20 0 GFADRO C[C@@H]1CCC[C@](CNC(=O)c2nn3c(c2Br)CCC3)([NH+](C)C)C1 ZINC000895834992 663529374 /nfs/dbraw/zinc/52/93/74/663529374.db2.gz VORAQQLOPNGDHA-PXAZEXFGSA-N 1 0 383.334 2.832 20 0 GFADRO COC[C@H]([NH2+][C@H](C)[C@@H]1CCS(=O)(=O)C1)c1cccc(Br)c1 ZINC000895852474 663530321 /nfs/dbraw/zinc/53/03/21/663530321.db2.gz FYZITZZOWDLRFY-KYOSRNDESA-N 1 0 376.316 2.549 20 0 GFADRO O=C(Nc1ccc(N2CCSCC2)c(Cl)c1)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000896021458 663537988 /nfs/dbraw/zinc/53/79/88/663537988.db2.gz ALJHFGSHEVGXJH-OAHLLOKOSA-N 1 0 381.929 2.552 20 0 GFADRO CC(=O)Nc1cc(Br)ccc1C[NH2+][C@@H]1CC(=O)N(CC2CC2)C1 ZINC000896036458 663538363 /nfs/dbraw/zinc/53/83/63/663538363.db2.gz RFVMKORYKRHYGC-OAHLLOKOSA-N 1 0 380.286 2.508 20 0 GFADRO O=C(NCc1ccc(C(F)(F)F)s1)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000896294754 663549703 /nfs/dbraw/zinc/54/97/03/663549703.db2.gz VBCMUDRUMCWIMQ-QWHCGFSZSA-N 1 0 377.432 2.508 20 0 GFADRO Brc1cc(C[N@@H+]2CC[C@H](C3OCCO3)C2)cc2c1OCCCO2 ZINC000896384511 663554745 /nfs/dbraw/zinc/55/47/45/663554745.db2.gz MBLDRMRFYMFJAW-ZDUSSCGKSA-N 1 0 384.270 2.805 20 0 GFADRO Brc1c(C[NH2+][C@@H]2CCCN3CCSC[C@@H]23)nc2ccccn21 ZINC000896432918 663557264 /nfs/dbraw/zinc/55/72/64/663557264.db2.gz SSMMMGRPCUPXSA-OCCSQVGLSA-N 1 0 381.343 2.766 20 0 GFADRO O=C(COCCc1ccc(Br)cc1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000896519938 663560433 /nfs/dbraw/zinc/56/04/33/663560433.db2.gz AECQZGWPYRVGGS-QGZVFWFLSA-N 1 0 395.341 2.953 20 0 GFADRO C[C@@H](NC(=O)c1cnc(-c2cccc(Cl)c2)s1)[C@@H]1C[N@H+](C)CCN1C ZINC000896534924 663562202 /nfs/dbraw/zinc/56/22/02/663562202.db2.gz XDFHNZPUESAWTL-DOMZBBRYSA-N 1 0 378.929 2.828 20 0 GFADRO Cc1cc(Br)c(C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCN2C)cc1Cl ZINC000896540606 663562700 /nfs/dbraw/zinc/56/27/00/663562700.db2.gz GBXGHFJNUUDSEJ-IAQYHMDHSA-N 1 0 388.737 2.775 20 0 GFADRO C[C@H](Sc1nc2ccccc2s1)C(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCN1C ZINC000896551531 663563467 /nfs/dbraw/zinc/56/34/67/663563467.db2.gz DUAXXMGMQCVKMD-KCQAQPDRSA-N 1 0 378.567 2.527 20 0 GFADRO C[C@H](NC(=O)Cc1csc(-c2ccc(Cl)s2)n1)[C@H]1C[N@H+](C)CCN1C ZINC000896565997 663564403 /nfs/dbraw/zinc/56/44/03/663564403.db2.gz AWADBELKQLRPPV-WCQYABFASA-N 1 0 398.985 2.818 20 0 GFADRO C[C@H](NC(=O)c1cc2cc(Br)ccc2o1)[C@@H]1C[N@H+](C)CCN1C ZINC000896570107 663564995 /nfs/dbraw/zinc/56/49/95/663564995.db2.gz JOSJIRWAEWULBS-FZMZJTMJSA-N 1 0 380.286 2.559 20 0 GFADRO Cc1c2cc(Br)ccc2oc1C(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCN1C ZINC000896580717 663565996 /nfs/dbraw/zinc/56/59/96/663565996.db2.gz FACLBMXNYJLYQY-WFASDCNBSA-N 1 0 394.313 2.868 20 0 GFADRO COC(=O)c1ccc(C[NH2+]CC2(C3(O)CCOCC3)CC2)c(Br)c1 ZINC000896628619 663568682 /nfs/dbraw/zinc/56/86/82/663568682.db2.gz PZQPQSPPXKXRPQ-UHFFFAOYSA-N 1 0 398.297 2.647 20 0 GFADRO FC(F)(F)CN1CCC[C@H]1C[NH2+]Cc1sc(N2CCOCC2)nc1Cl ZINC000896838052 663578853 /nfs/dbraw/zinc/57/88/53/663578853.db2.gz APXPJZKDVBOJHE-NSHDSACASA-N 1 0 398.882 2.749 20 0 GFADRO O=C(CCCc1ccc(Br)cc1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000896857145 663579552 /nfs/dbraw/zinc/57/95/52/663579552.db2.gz SSBRJZFEUYPZBD-KRWDZBQOSA-N 1 0 395.341 2.953 20 0 GFADRO CN1CCN(c2nccc(-c3ccc(Br)cc3)n2)CC[N@H+](C)CC1 ZINC000897094190 663591599 /nfs/dbraw/zinc/59/15/99/663591599.db2.gz LBSSPBHLJITHEG-UHFFFAOYSA-N 1 0 390.329 2.590 20 0 GFADRO O=C(C1C[NH+](C2CCOCC2)C1)N1CCc2sc(Br)cc2C1 ZINC000897087684 663591611 /nfs/dbraw/zinc/59/16/11/663591611.db2.gz QITUSZCJJBISBD-UHFFFAOYSA-N 1 0 385.327 2.506 20 0 GFADRO OCC[N@@H+]1CCC[C@@H]2[C@@H]1CCN2c1nnc(Cc2ccc(Cl)cc2)s1 ZINC000897222638 663595477 /nfs/dbraw/zinc/59/54/77/663595477.db2.gz WKLGSTXILFMCPP-JKSUJKDBSA-N 1 0 378.929 2.818 20 0 GFADRO Cc1csc(C[C@H]2CC[N@H+](Cc3ccc(S(N)(=O)=O)c(Cl)c3)C2)n1 ZINC000897301935 663599512 /nfs/dbraw/zinc/59/95/12/663599512.db2.gz XHYMIGXWDNNNPP-CYBMUJFWSA-N 1 0 385.942 2.817 20 0 GFADRO Cn1nccc1[C@H](O)C[NH2+]Cc1cc(Br)ccc1Br ZINC000897301265 663599627 /nfs/dbraw/zinc/59/96/27/663599627.db2.gz FDLNKHXGZLVLLU-CYBMUJFWSA-N 1 0 389.091 2.768 20 0 GFADRO Cn1ncc(I)c1C[NH2+]CC(C)(C)C1CCOCC1 ZINC000897442113 663606284 /nfs/dbraw/zinc/60/62/84/663606284.db2.gz QXRKPJPHVHHREC-UHFFFAOYSA-N 1 0 377.270 2.567 20 0 GFADRO Cn1cc(C[NH2+]CC[C@@H]2CCC(C)(C)CO2)c(I)n1 ZINC000897474342 663607049 /nfs/dbraw/zinc/60/70/49/663607049.db2.gz RAGGQMGTCWENDI-LBPRGKRZSA-N 1 0 377.270 2.710 20 0 GFADRO CN(C[C@@H](O)c1cccc(Br)c1)C(=O)NC[C@H]1CCCC[N@H+](C)C1 ZINC000897557914 663610381 /nfs/dbraw/zinc/61/03/81/663610381.db2.gz SRVGQUBWBDSOPG-RHSMWYFYSA-N 1 0 398.345 2.856 20 0 GFADRO C[NH+](C)[C@H]1CCCN(C(=O)COCCc2ccc(Br)cc2)CC1 ZINC000897569309 663611577 /nfs/dbraw/zinc/61/15/77/663611577.db2.gz FXTHVHJYSALKDX-KRWDZBQOSA-N 1 0 383.330 2.951 20 0 GFADRO Cn1nc(-c2ccc(Cl)s2)cc1NC(=O)C1C[NH+](C2CCOCC2)C1 ZINC000897593856 663612737 /nfs/dbraw/zinc/61/27/37/663612737.db2.gz KALUALGNBKKDBR-UHFFFAOYSA-N 1 0 380.901 2.851 20 0 GFADRO O=CN1CCC([NH2+]Cc2ccc(Br)c(Br)c2)CC1 ZINC000897763479 663619630 /nfs/dbraw/zinc/61/96/30/663619630.db2.gz OCRDHUYBJIMBNO-UHFFFAOYSA-N 1 0 376.092 2.922 20 0 GFADRO C[C@H](CCc1cccnc1)[NH2+][C@H]1Cc2cc(Br)cnc2NC1=O ZINC000897978512 663628368 /nfs/dbraw/zinc/62/83/68/663628368.db2.gz QUCHAEQKLBTLEA-ABAIWWIYSA-N 1 0 375.270 2.713 20 0 GFADRO Cn1cc([C@]2(C[NH2+]Cc3cccc(I)c3)CCCO2)cn1 ZINC000898053970 663631508 /nfs/dbraw/zinc/63/15/08/663631508.db2.gz NADBERPOLJUHDT-MRXNPFEDSA-N 1 0 397.260 2.820 20 0 GFADRO Cc1cc(Br)cn2c(C[NH2+][C@@H]3CCOC34CCOCC4)cnc12 ZINC000898114711 663634194 /nfs/dbraw/zinc/63/41/94/663634194.db2.gz AHQZFBUAYPOTNI-OAHLLOKOSA-N 1 0 380.286 2.833 20 0 GFADRO C[C@H](C[NH2+][C@H]1CCN(c2cc(=O)[nH]cn2)C1)c1cccc(Br)c1 ZINC000898156901 663636264 /nfs/dbraw/zinc/63/62/64/663636264.db2.gz ZYIRNMDAZOOVAU-DOMZBBRYSA-N 1 0 377.286 2.917 20 0 GFADRO COC(=O)c1ccc(C[NH2+][C@](C)(CO)c2cccc(Br)c2)n1C ZINC000898168312 663636566 /nfs/dbraw/zinc/63/65/66/663636566.db2.gz AHXYSSGQUAHWIX-QGZVFWFLSA-N 1 0 381.270 2.572 20 0 GFADRO CCN(CC)c1ncc(C[NH2+]Cc2cccc(N(C)S(C)(=O)=O)c2)s1 ZINC000898287556 663642163 /nfs/dbraw/zinc/64/21/63/663642163.db2.gz YBKSHEWPTYBKLI-UHFFFAOYSA-N 1 0 382.555 2.675 20 0 GFADRO COc1cc(C[NH2+][C@@H]2CCN(c3cn[nH]c(=O)c3Cl)C2)c(Cl)cc1O ZINC000898372891 663645296 /nfs/dbraw/zinc/64/52/96/663645296.db2.gz ZRWRRPJZEHIAJK-SNVBAGLBSA-N 1 0 385.251 2.572 20 0 GFADRO COC(=O)C1CC2(C1)C[C@H]([NH2+]Cc1ccc(Cl)cc1C)CCS2(=O)=O ZINC000898486092 663652134 /nfs/dbraw/zinc/65/21/34/663652134.db2.gz AXTJNMUTCROAAT-BFHRDPOASA-N 1 0 385.913 2.637 20 0 GFADRO OC[C@H]([NH2+][C@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21)c1ccccc1I ZINC000898511177 663653429 /nfs/dbraw/zinc/65/34/29/663653429.db2.gz ACXIWHYFBNRANJ-RUMMTXRXSA-N 1 0 399.272 2.728 20 0 GFADRO C[C@@H](CCn1cccn1)[NH2+][C@@H](CO)c1ccccc1I ZINC000898511976 663653909 /nfs/dbraw/zinc/65/39/09/663653909.db2.gz GMKYHKYIOMTMJB-WFASDCNBSA-N 1 0 385.249 2.590 20 0 GFADRO OC[C@H](NC1CC[NH+](C2CC2)CC1)c1ccccc1I ZINC000898513269 663654259 /nfs/dbraw/zinc/65/42/59/663654259.db2.gz SETHEYXBTSTZPN-INIZCTEOSA-N 1 0 386.277 2.541 20 0 GFADRO CC1(C)CC[N@H+](CCNC(=O)N2CCC(n3cc(Br)cn3)CC2)C1 ZINC000898596101 663657613 /nfs/dbraw/zinc/65/76/13/663657613.db2.gz PPELRMOCYWYQHU-UHFFFAOYSA-N 1 0 398.349 2.724 20 0 GFADRO Cc1nc(C(=O)N2CC([NH+]3CCCC3)C2)nn1-c1c(Cl)cccc1Cl ZINC000898610332 663657769 /nfs/dbraw/zinc/65/77/69/663657769.db2.gz KCVDLACRHFFGIJ-UHFFFAOYSA-N 1 0 380.279 2.803 20 0 GFADRO O=C(COc1ccc(Br)cc1)NC1CC[NH+](C2CCOCC2)CC1 ZINC000898626784 663658314 /nfs/dbraw/zinc/65/83/14/663658314.db2.gz OIBICPOUCGPMNP-UHFFFAOYSA-N 1 0 397.313 2.588 20 0 GFADRO COCCOCc1ccc(C[NH2+][C@H]2CCc3ncc(Br)n3C2)cc1 ZINC000898719606 663660257 /nfs/dbraw/zinc/66/02/57/663660257.db2.gz GKNKZAUGXCGYFR-INIZCTEOSA-N 1 0 394.313 2.913 20 0 GFADRO O=C(CCCc1ccc(Br)cc1)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000898985698 663671672 /nfs/dbraw/zinc/67/16/72/663671672.db2.gz YGUWUGUEYBECHI-SFHVURJKSA-N 1 0 395.341 2.829 20 0 GFADRO C[NH+](C)CCCCC(=O)NCc1ccn(-c2ccc(Br)cc2)n1 ZINC000899459954 663689097 /nfs/dbraw/zinc/68/90/97/663689097.db2.gz RVAXLNHKPHSJCB-UHFFFAOYSA-N 1 0 379.302 2.983 20 0 GFADRO COc1cc(Br)cc(CNC(=S)NCC2CC[NH+](C)CC2)c1 ZINC000899556058 663693669 /nfs/dbraw/zinc/69/36/69/663693669.db2.gz ZNXYOSUUUUHKCO-UHFFFAOYSA-N 1 0 386.359 2.764 20 0 GFADRO CCC1([NH+]2CCC2)CCN(C(=O)c2cc(Br)c(=O)[nH]c2C)CC1 ZINC000899556586 663693687 /nfs/dbraw/zinc/69/36/87/663693687.db2.gz DSTRXSPCRNXQJX-UHFFFAOYSA-N 1 0 382.302 2.949 20 0 GFADRO C[N@H+](CCO)CCNC(=O)c1sc2cc(Br)ccc2c1Cl ZINC000899733998 663699499 /nfs/dbraw/zinc/69/94/99/663699499.db2.gz PZSYVESUDGEOML-UHFFFAOYSA-N 1 0 391.718 2.971 20 0 GFADRO [NH3+]C1CCN(CCc2cn(-c3ccc(Cl)c(Br)c3)nn2)CC1 ZINC000899746844 663700019 /nfs/dbraw/zinc/70/00/19/663700019.db2.gz MAJRJXGXPKFNGW-UHFFFAOYSA-N 1 0 384.709 2.649 20 0 GFADRO Cc1[nH]c(=O)c(Br)cc1C(=O)N1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000899809190 663700855 /nfs/dbraw/zinc/70/08/55/663700855.db2.gz LLGOROQBIRPPLK-LLVKDONJSA-N 1 0 391.269 2.604 20 0 GFADRO C[N@@H+]1CCC[C@@](O)(CC(=O)Nc2ccc(N3CCSCC3)c(Cl)c2)C1 ZINC000900458933 663714868 /nfs/dbraw/zinc/71/48/68/663714868.db2.gz AXQHVASKWGRQAB-GOSISDBHSA-N 1 0 383.945 2.679 20 0 GFADRO Cc1ccc(F)c(Br)c1C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000900674614 663719472 /nfs/dbraw/zinc/71/94/72/663719472.db2.gz KWIQUQOCDLWZTJ-ZDUSSCGKSA-N 1 0 398.320 2.795 20 0 GFADRO O=C(NC1CC[NH+](C2CCCC2)CC1)c1cc2ncc(Br)cn2n1 ZINC000900955582 663727570 /nfs/dbraw/zinc/72/75/70/663727570.db2.gz PXEGJGHSZWOUAP-UHFFFAOYSA-N 1 0 392.301 2.629 20 0 GFADRO CCn1c(Br)ncc1C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000901160481 663731405 /nfs/dbraw/zinc/73/14/05/663731405.db2.gz XCIQSNCATVFDPI-JSGCOSHPSA-N 1 0 381.318 2.754 20 0 GFADRO C[C@@H]([NH2+][C@H]1CCc2ncc(Br)n2C1)C(=O)Nc1ccc(Cl)cn1 ZINC000901728953 663743984 /nfs/dbraw/zinc/74/39/84/663743984.db2.gz QDIAEAJEBVBUOY-KOLCDFICSA-N 1 0 398.692 2.626 20 0 GFADRO CC(C)[NH+]1CCC(NC(=O)COc2ccc(Br)c(C=O)c2)CC1 ZINC000902296779 663758640 /nfs/dbraw/zinc/75/86/40/663758640.db2.gz JFSUWEFRCRYVKT-UHFFFAOYSA-N 1 0 383.286 2.629 20 0 GFADRO CC1([NH+]2CCC2)CCC(NC(=O)c2nc3ccc(Br)cn3n2)CC1 ZINC000902974295 663770166 /nfs/dbraw/zinc/77/01/66/663770166.db2.gz CZNDKSADNBXHEF-UHFFFAOYSA-N 1 0 392.301 2.629 20 0 GFADRO CC(=O)N1CCC([NH2+][C@@H](C)c2cccc(S(=O)(=O)C(F)(F)F)c2)CC1 ZINC000903057807 663772353 /nfs/dbraw/zinc/77/23/53/663772353.db2.gz FMXZSYSWAGIXJK-NSHDSACASA-N 1 0 378.416 2.642 20 0 GFADRO CCC(=O)N1CC[C@@H]([NH2+][C@H](C)c2cccc(S(=O)(=O)C(F)(F)F)c2)C1 ZINC000903112903 663774219 /nfs/dbraw/zinc/77/42/19/663774219.db2.gz KLJYRWIPBDHXQV-DGCLKSJQSA-N 1 0 378.416 2.642 20 0 GFADRO CO[C@@H]1COCC[C@H]1C[NH2+][C@@H](C)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000903179823 663777170 /nfs/dbraw/zinc/77/71/70/663777170.db2.gz UFFIAWOGDMRKCS-CORIIIEPSA-N 1 0 381.416 2.682 20 0 GFADRO COc1cc([C@H](C)[NH2+]C[C@@H]2CC[C@@H](C(F)(F)F)O2)ccc1S(C)(=O)=O ZINC000903180635 663777242 /nfs/dbraw/zinc/77/72/42/663777242.db2.gz GOKLDQHAGYQMAZ-WBIUFABUSA-N 1 0 381.416 2.859 20 0 GFADRO CC[C@@H]([NH2+]C[C@@]1(OC)CCSC1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000903314332 663781281 /nfs/dbraw/zinc/78/12/81/663781281.db2.gz LXYVLWLOJXBJNH-ZBFHGGJFSA-N 1 0 392.974 2.811 20 0 GFADRO C[C@H]([NH2+]CC1(O)CCC2(CC1)OCCO2)c1ncc(Br)s1 ZINC000903374973 663783425 /nfs/dbraw/zinc/78/34/25/663783425.db2.gz PNJZJRGOLSBEGX-JTQLQIEISA-N 1 0 377.304 2.604 20 0 GFADRO O=c1cc(N2CC[C@H]([NH2+][C@@H]3CCc4ccc(Br)cc43)C2)nc[nH]1 ZINC000903400162 663783922 /nfs/dbraw/zinc/78/39/22/663783922.db2.gz RYCQRJJIVWPDCS-DZGCQCFKSA-N 1 0 375.270 2.801 20 0 GFADRO C[C@@H]([NH2+][C@H]1CCN(c2cn[nH]c(=O)c2Cl)C1)c1ccc(Br)nc1 ZINC000903434253 663784721 /nfs/dbraw/zinc/78/47/21/663784721.db2.gz KWZBOEQCCITKKV-KOLCDFICSA-N 1 0 398.692 2.923 20 0 GFADRO C[C@H]([NH2+][C@H]1CCN(c2cn[nH]c(=O)c2Cl)C1)c1ccc(Br)cn1 ZINC000903433579 663784732 /nfs/dbraw/zinc/78/47/32/663784732.db2.gz BZQSELJZLBUAGG-ONGXEEELSA-N 1 0 398.692 2.923 20 0 GFADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2cnc(Br)s2)[C@@H](C)C1 ZINC000903441720 663784836 /nfs/dbraw/zinc/78/48/36/663784836.db2.gz DRIMGUCTWNXVSW-RYUDHWBXSA-N 1 0 390.347 2.772 20 0 GFADRO CCc1ccc([C@@H](C)[NH2+][C@@H]2CCS(=O)(=O)C3(CC(C(=O)OC)C3)C2)s1 ZINC000903451947 663785036 /nfs/dbraw/zinc/78/50/36/663785036.db2.gz JMSICMCCDWVRBJ-CZJPOVKDSA-N 1 0 385.551 2.860 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCc2ncc(Br)n2C1)c1cccc(-n2ccnn2)c1 ZINC000903478575 663785359 /nfs/dbraw/zinc/78/53/59/663785359.db2.gz HBZZNPJNJJCDIA-GXTWGEPZSA-N 1 0 387.285 2.892 20 0 GFADRO O=C(CN[C@@H]1CC[NH2+]C12CCCC2)Nc1c(F)cc(F)cc1Br ZINC000903485711 663785633 /nfs/dbraw/zinc/78/56/33/663785633.db2.gz PCWOIMYVZZVCOJ-CYBMUJFWSA-N 1 0 388.256 2.930 20 0 GFADRO [NH3+][C@@H]1CN(Cc2cc3c(cc2Br)OCCO3)C[C@H]1C(F)(F)F ZINC000903518613 663786827 /nfs/dbraw/zinc/78/68/27/663786827.db2.gz LZRIYJFSVRAIRJ-MWLCHTKSSA-N 1 0 381.192 2.542 20 0 GFADRO O=S(=O)(Cc1cccc(F)c1Br)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903525514 663787388 /nfs/dbraw/zinc/78/73/88/663787388.db2.gz MBWWKXDRWXMIKI-LMKPVCQUSA-N 1 0 391.306 2.538 20 0 GFADRO C[NH2+]C[C@@H]1CCCCN1CC(=O)Nc1c(F)cc(F)cc1Br ZINC000903529706 663787508 /nfs/dbraw/zinc/78/75/08/663787508.db2.gz RWMQTIFZNGYREC-NSHDSACASA-N 1 0 376.245 2.740 20 0 GFADRO [NH3+][C@H]1CN(CC(=O)Nc2ccc(Br)cc2)CC[C@H]1C(F)(F)F ZINC000903535270 663787576 /nfs/dbraw/zinc/78/75/76/663787576.db2.gz WYUZHNNXOFJUKM-NEPJUHHUSA-N 1 0 380.208 2.599 20 0 GFADRO [NH3+]CC1([C@@H]2CCCCN2S(=O)(=O)c2cncc(Br)c2)CCC1 ZINC000903545726 663788117 /nfs/dbraw/zinc/78/81/17/663788117.db2.gz BRBMSHWGYZWRDW-AWEZNQCLSA-N 1 0 388.331 2.516 20 0 GFADRO CSc1ccc(S(=O)(=O)N2CC[NH2+]CCC23CCOCC3)cc1Cl ZINC000903549252 663788377 /nfs/dbraw/zinc/78/83/77/663788377.db2.gz HOWYUSJSERAYRE-UHFFFAOYSA-N 1 0 390.958 2.595 20 0 GFADRO C[C@@H]1CN(S(=O)(=O)Cc2cccc(Cl)c2Br)C[C@H]1CC[NH3+] ZINC000903556995 663788580 /nfs/dbraw/zinc/78/85/80/663788580.db2.gz JJSOHTBQCPFJCX-GHMZBOCLSA-N 1 0 395.750 2.849 20 0 GFADRO [NH3+][C@@H](Cc1ccccc1)[C@@H](O)CN[C@H]1CCOc2ccc(Br)cc21 ZINC000903565716 663788820 /nfs/dbraw/zinc/78/88/20/663788820.db2.gz OTFWFXXCJSLFTQ-BZSNNMDCSA-N 1 0 391.309 2.793 20 0 GFADRO Cc1ccc(C(F)(F)F)cc1S(=O)(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903570716 663789053 /nfs/dbraw/zinc/78/90/53/663789053.db2.gz ZMIMLVCIGQYZNJ-NXEZZACHSA-N 1 0 376.322 2.524 20 0 GFADRO [NH3+]C[C@]12CC[C@@H]1CCN2S(=O)(=O)c1oc2ccccc2c1Br ZINC000903587298 663790644 /nfs/dbraw/zinc/79/06/44/663790644.db2.gz ZCJWFWVHRZLDAX-MEBBXXQBSA-N 1 0 385.283 2.697 20 0 GFADRO [NH3+]C[C@H]1Cc2cc(F)ccc2N(S(=O)(=O)c2ccc(Br)o2)C1 ZINC000903588580 663790701 /nfs/dbraw/zinc/79/07/01/663790701.db2.gz LEIWLWBJDDAQRI-SECBINFHSA-N 1 0 389.246 2.508 20 0 GFADRO O=S(=O)(c1cccc(Cl)c1Br)N1CCC[C@@]12CC[NH2+]C2 ZINC000903592899 663791140 /nfs/dbraw/zinc/79/11/40/663791140.db2.gz IUWFJFAMTINVFK-ZDUSSCGKSA-N 1 0 379.707 2.619 20 0 GFADRO [NH3+]CCc1ccc2c(c1)CCCN2S(=O)(=O)c1ccc(Br)o1 ZINC000903598571 663791314 /nfs/dbraw/zinc/79/13/14/663791314.db2.gz CUZSMQDZVDWHHT-UHFFFAOYSA-N 1 0 385.283 2.685 20 0 GFADRO Cc1ccc(I)c(OC(=O)COC2CC[NH+](C)CC2)c1 ZINC000903692414 663803673 /nfs/dbraw/zinc/80/36/73/663803673.db2.gz VJRICXKXBOXHKW-UHFFFAOYSA-N 1 0 389.233 2.616 20 0 GFADRO Brc1cccc([C@@H]2CN(C[C@H]3CC4(CO3)CC[NH2+]CC4)CCO2)c1 ZINC000903726229 663805121 /nfs/dbraw/zinc/80/51/21/663805121.db2.gz LCAMGHDWEZSROF-MSOLQXFVSA-N 1 0 395.341 2.981 20 0 GFADRO FC1(F)CC[NH2+]C[C@H]1CNCc1cnn(-c2ccc(Br)cc2)c1 ZINC000903955112 663813608 /nfs/dbraw/zinc/81/36/08/663813608.db2.gz KXEWVCQQZSJRTE-ZDUSSCGKSA-N 1 0 385.256 2.969 20 0 GFADRO C[NH2+]CCCCc1nc(Cc2cc(OC)c(OC)cc2Br)no1 ZINC000904101063 663824209 /nfs/dbraw/zinc/82/42/09/663824209.db2.gz LKQVGSZNGGZNOK-UHFFFAOYSA-N 1 0 384.274 2.982 20 0 GFADRO CCOc1cc(-c2noc([C@H]3[C@@H]4CC[NH2+]C[C@@H]43)n2)cc(Br)c1O ZINC000904108463 663824784 /nfs/dbraw/zinc/82/47/84/663824784.db2.gz UZNPJZHGFVKBKY-NRUUGDAUSA-N 1 0 380.242 2.926 20 0 GFADRO C[NH2+]CCCCc1nc(-c2ccc3ncc(I)n3c2)no1 ZINC000904112370 663825113 /nfs/dbraw/zinc/82/51/13/663825113.db2.gz FDTISYBXUDPTBL-UHFFFAOYSA-N 1 0 397.220 2.531 20 0 GFADRO COCC1(c2noc([C@H](N)c3ccc(Br)cc3)n2)CCOCC1 ZINC000904121725 663825400 /nfs/dbraw/zinc/82/54/00/663825400.db2.gz VLORCCBLMZEMLF-CYBMUJFWSA-N 1 0 382.258 2.575 20 0 GFADRO O=C(Nc1cc(I)ccc1Cl)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000904373409 663831776 /nfs/dbraw/zinc/83/17/76/663831776.db2.gz QCIOBRTUILEPOB-MKPLZMMCSA-N 1 0 391.640 2.959 20 0 GFADRO CC1(C)C[NH2+]C[C@@H]1NC(=O)Nc1cccc(F)c1I ZINC000904394127 663832578 /nfs/dbraw/zinc/83/25/78/663832578.db2.gz PDCCTHBAUZALNC-JTQLQIEISA-N 1 0 377.201 2.550 20 0 GFADRO O=C(Nc1ccnn1Cc1ccccc1Br)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000904428271 663833826 /nfs/dbraw/zinc/83/38/26/663833826.db2.gz IMNQGGIUHQCXMY-VHDGCEQUSA-N 1 0 390.285 2.708 20 0 GFADRO Cc1cc(I)cc(NC(=O)N2CCC[C@]23CC[NH2+]C3)c1 ZINC000904473246 663835438 /nfs/dbraw/zinc/83/54/38/663835438.db2.gz QJJNTPYJIVSHEV-OAHLLOKOSA-N 1 0 385.249 2.959 20 0 GFADRO Cc1nn(C)c(CN[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1Br ZINC000904473442 663835756 /nfs/dbraw/zinc/83/57/56/663835756.db2.gz QVVHDWZBXFERHT-KSSFIOAISA-N 1 0 391.313 2.837 20 0 GFADRO COCCOc1ccc(NC(=O)N2C[C@@H](C)[NH2+]C[C@@H]2C)cc1Br ZINC000904552002 663838219 /nfs/dbraw/zinc/83/82/19/663838219.db2.gz ROMWDGVKQSHQAF-NEPJUHHUSA-N 1 0 386.290 2.688 20 0 GFADRO COc1cc(Br)c(Cc2noc(C[C@@H]3C[NH2+]C[C@H]3C)n2)cc1OC ZINC000904661201 663839595 /nfs/dbraw/zinc/83/95/95/663839595.db2.gz QLNODWFHURGALJ-ZYHUDNBSSA-N 1 0 396.285 2.838 20 0 GFADRO C[C@@](O)(C[NH2+]CCS(=O)(=O)c1ccc(Cl)cc1)C(F)(F)C(F)(F)F ZINC000905061817 663850972 /nfs/dbraw/zinc/85/09/72/663850972.db2.gz JQNRCDWPBVZKBV-LLVKDONJSA-N 1 0 395.777 2.652 20 0 GFADRO OCC1(C[C@@H](O)C[NH2+][C@H]2COc3cc(F)c(Br)cc32)CCCC1 ZINC000905247340 663862615 /nfs/dbraw/zinc/86/26/15/663862615.db2.gz OKSUFMYQVMRSMN-ABAIWWIYSA-N 1 0 388.277 2.915 20 0 GFADRO O=S(=O)(CC1CC[NH2+]CC1)N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000905341350 663866470 /nfs/dbraw/zinc/86/64/70/663866470.db2.gz ZJVRHVIFZQRUBL-INIZCTEOSA-N 1 0 393.336 2.696 20 0 GFADRO O[C@@H](C[NH2+]C[C@@H](O)C[C@H](O)c1ccccc1)c1ccccc1Br ZINC000905366617 663867577 /nfs/dbraw/zinc/86/75/77/663867577.db2.gz HALWYQRXDOHFRU-WBAXXEDZSA-N 1 0 380.282 2.557 20 0 GFADRO CN1CC[N@H+](C)CC(C(=O)N2CCc3sccc3[C@H]2c2cccs2)C1 ZINC000905405989 663869998 /nfs/dbraw/zinc/86/99/98/663869998.db2.gz JQWIDWXVLAGQKN-SFHVURJKSA-N 1 0 375.563 2.777 20 0 GFADRO COC(=O)C1CC2(C1)C[C@@H]([NH2+]C[C@H](O)c1ccc(Br)cc1)CCO2 ZINC000905489009 663873899 /nfs/dbraw/zinc/87/38/99/663873899.db2.gz IDUPQSQNWIJAHT-PWFYPYPJSA-N 1 0 398.297 2.573 20 0 GFADRO CN(C)Cc1csc(C[NH2+]C[C@@H](O)c2ccc(OC(F)(F)F)cc2)n1 ZINC000905532508 663876909 /nfs/dbraw/zinc/87/69/09/663876909.db2.gz JSWZVUNXYZBXBW-CQSZACIVSA-N 1 0 375.416 2.927 20 0 GFADRO CC(C)O[C@]1(C[NH2+]C[C@@H](O)COc2c(Cl)cccc2Cl)CCOC1 ZINC000905556902 663878298 /nfs/dbraw/zinc/87/82/98/663878298.db2.gz KPBZOKXWTKKRDJ-DYVFJYSZSA-N 1 0 378.296 2.907 20 0 GFADRO Cn1nc(C2CC2)cc1C[NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000905619948 663882039 /nfs/dbraw/zinc/88/20/39/663882039.db2.gz OXXNYXIINQUYFM-OAHLLOKOSA-N 1 0 398.276 2.729 20 0 GFADRO COC(=O)[C@H]1C[C@@H]2C[C@H]([NH2+]C[C@H](O)COc3ccc(Cl)cc3Cl)[C@@H]2C1 ZINC000905655416 663884174 /nfs/dbraw/zinc/88/41/74/663884174.db2.gz WODIRWDAOUOZGB-GTJDQOHESA-N 1 0 388.291 2.910 20 0 GFADRO O=C(C[C@H](O)C(Cl)(Cl)Cl)NCc1ccccc1Cn1ccnc1 ZINC000905701814 663887481 /nfs/dbraw/zinc/88/74/81/663887481.db2.gz RUOIOWRVGFVFEI-ZDUSSCGKSA-N 1 0 376.671 2.669 20 0 GFADRO NC(=O)[C@@H]([NH2+]C[C@@H]1CCC2(CCOCC2)CO1)c1cccc(Br)c1 ZINC000905779885 663892046 /nfs/dbraw/zinc/89/20/46/663892046.db2.gz FAXGYODVAVDELW-HOTGVXAUSA-N 1 0 397.313 2.541 20 0 GFADRO NC(=O)[C@H]([NH2+]C[C@H]1CCC2(CCOCC2)CO1)c1ccc(Br)cc1 ZINC000905782125 663892407 /nfs/dbraw/zinc/89/24/07/663892407.db2.gz XZWIVWBSZZPPDY-HZPDHXFCSA-N 1 0 397.313 2.541 20 0 GFADRO CC(C)[NH2+]Cc1cn([C@H]2CCc3cc(Br)ccc3NC2=O)nn1 ZINC000905813275 663893234 /nfs/dbraw/zinc/89/32/34/663893234.db2.gz OUBLOUCBSFEUEP-HNNXBMFYSA-N 1 0 378.274 2.665 20 0 GFADRO CC[NH2+]Cc1ccn(Cc2cn(Cc3cccc(F)c3Br)nn2)n1 ZINC000905834437 663895219 /nfs/dbraw/zinc/89/52/19/663895219.db2.gz VTNLZLMDLAHMGX-UHFFFAOYSA-N 1 0 393.264 2.582 20 0 GFADRO CCOCCCNC(=O)[C@H](C)[NH2+][C@@H]1CCOc2ccc(Br)cc21 ZINC000905855616 663897161 /nfs/dbraw/zinc/89/71/61/663897161.db2.gz LFAGQFZQFJPROR-SWLSCSKDSA-N 1 0 385.302 2.794 20 0 GFADRO O=C(c1cc(Br)cn(C2CC2)c1=O)N1CC[NH+](C2CCCC2)CC1 ZINC000905926213 663901597 /nfs/dbraw/zinc/90/15/97/663901597.db2.gz YCMHKHUEVHXADL-UHFFFAOYSA-N 1 0 394.313 2.646 20 0 GFADRO C[NH+](C)Cc1ccccc1NS(=O)(=O)N=[S@@](C)(=O)c1ccccc1F ZINC000906058293 663915917 /nfs/dbraw/zinc/91/59/17/663915917.db2.gz UHKSSAMHWFTBGK-DEOSSOPVSA-N 1 0 385.486 2.701 20 0 GFADRO CCc1cc(C(=O)NCCCC[NH+]2CCN(C)CC2)ccc1Br ZINC000906111606 663925872 /nfs/dbraw/zinc/92/58/72/663925872.db2.gz OEYKTWKDWAQGJP-UHFFFAOYSA-N 1 0 382.346 2.769 20 0 GFADRO CN(C(=O)[C@@H]1CCOc2ccc(Br)cc21)c1cc(C[NH3+])ccn1 ZINC000906227552 663932905 /nfs/dbraw/zinc/93/29/05/663932905.db2.gz NOWOLXFCANCHAV-CYBMUJFWSA-N 1 0 376.254 2.832 20 0 GFADRO O=C(NC[C@H]1CCN1C1CCOCC1)c1sc(Cl)nc1C(F)(F)F ZINC000906441249 663948096 /nfs/dbraw/zinc/94/80/96/663948096.db2.gz FBSXEPYATLOIPB-SECBINFHSA-N 1 0 383.823 2.798 20 0 GFADRO Cc1cc(OCC(=O)Nc2ccn(CC[NH+](C)C)n2)ccc1Br ZINC000906463325 663950416 /nfs/dbraw/zinc/95/04/16/663950416.db2.gz GELHMULCLLYYCH-UHFFFAOYSA-N 1 0 381.274 2.533 20 0 GFADRO C[NH+](C)C[C@H]1CCN(C(=O)c2ccc(Cn3cc(Br)cn3)s2)C1 ZINC000906693979 663965590 /nfs/dbraw/zinc/96/55/90/663965590.db2.gz UUXUHQZCRYEWGH-GFCCVEGCSA-N 1 0 397.342 2.779 20 0 GFADRO CN1CC[N@H+](C)CC(C(=O)Nc2ccc(Cl)cc2OCC(F)(F)F)C1 ZINC000906697099 663965627 /nfs/dbraw/zinc/96/56/27/663965627.db2.gz KDJYDRJLOGHJEB-UHFFFAOYSA-N 1 0 379.810 2.713 20 0 GFADRO [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(=O)Nc1cc(Cl)c(Cl)cc1Cl)C2 ZINC000906754662 663968697 /nfs/dbraw/zinc/96/86/97/663968697.db2.gz ICIJUWYTIFZDGT-CIUDSAMLSA-N 1 0 376.671 2.924 20 0 GFADRO CC(C)([NH3+])c1ccc(NC(=O)C(=O)Nc2nc3c(s2)CSCC3)cc1 ZINC000906757068 663968948 /nfs/dbraw/zinc/96/89/48/663968948.db2.gz MLQIVEOHUKTRTN-UHFFFAOYSA-N 1 0 376.507 2.703 20 0 GFADRO CC[NH+](CC)C[C@H]1CCN(C(=O)c2cc(Br)cn(C3CC3)c2=O)C1 ZINC000906839860 663975643 /nfs/dbraw/zinc/97/56/43/663975643.db2.gz FHGZAFOUPIDEAH-CYBMUJFWSA-N 1 0 396.329 2.750 20 0 GFADRO O=S(=O)(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1c[nH]c2cc(Br)ccc21 ZINC000906846926 663976259 /nfs/dbraw/zinc/97/62/59/663976259.db2.gz VTYMTMBTKNIOSD-OLZOCXBDSA-N 1 0 398.326 2.836 20 0 GFADRO C[NH+](C)C[C@H]1CCN(S(=O)(=O)c2c[nH]c3cc(Br)ccc32)C1 ZINC000906949939 663985343 /nfs/dbraw/zinc/98/53/43/663985343.db2.gz CGZBSSXMPDKIJF-LLVKDONJSA-N 1 0 386.315 2.503 20 0 GFADRO C[C@@H]1C[C@@H](NS(=O)(=O)c2c[nH]c3cc(Br)ccc32)CC[N@@H+]1C ZINC000906985530 663988932 /nfs/dbraw/zinc/98/89/32/663988932.db2.gz AVNUTHPOGAMZSK-PWSUYJOCSA-N 1 0 386.315 2.691 20 0 GFADRO C[NH+](C)[C@@H](CC(=O)N[C@H]1CCc2ncc(Br)n2C1)c1ccccc1 ZINC000907278578 664018336 /nfs/dbraw/zinc/01/83/36/664018336.db2.gz HEVQLLWQZPCGMN-GJZGRUSLSA-N 1 0 391.313 2.770 20 0 GFADRO O=S(=O)(NC1CC[NH+](C2CCOCC2)CC1)c1cscc1C(F)F ZINC000907327643 664023625 /nfs/dbraw/zinc/02/36/25/664023625.db2.gz BYEARRKKDGOLOS-UHFFFAOYSA-N 1 0 380.482 2.607 20 0 GFADRO O=S(=O)(/C=C\c1ccc(Cl)cc1)NC1CC[NH+](C2CCOCC2)CC1 ZINC000907329890 664024200 /nfs/dbraw/zinc/02/42/00/664024200.db2.gz ZEUDJYUAABGXEW-ZROIWOOFSA-N 1 0 384.929 2.874 20 0 GFADRO CN1CC[N@H+](C)CC(C(=O)N2CCC[C@H]2c2ccc(Br)s2)C1 ZINC000907341440 664025528 /nfs/dbraw/zinc/02/55/28/664025528.db2.gz WSBHHRDVOOHDCO-ZDUSSCGKSA-N 1 0 386.359 2.668 20 0 GFADRO C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)N1CC=C(c2cccc(Br)c2)CC1 ZINC000907385941 664030455 /nfs/dbraw/zinc/03/04/55/664030455.db2.gz OYXRZIASYUIOKT-AEFFLSMTSA-N 1 0 379.298 2.520 20 0 GFADRO O=C(N[C@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O)C12CC[NH+](CC1)C2 ZINC000907674711 664052480 /nfs/dbraw/zinc/05/24/80/664052480.db2.gz APHNRPUQSKJAAD-AWEZNQCLSA-N 1 0 382.291 2.701 20 0 GFADRO C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(Cn4cc(Br)cn4)s3)[C@@H]2C1 ZINC000908345258 664100982 /nfs/dbraw/zinc/10/09/82/664100982.db2.gz AELGMCPRXFICEY-SMDDNHRTSA-N 1 0 395.326 2.532 20 0 GFADRO C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1cc(Br)cn(C3CC3)c1=O)C2 ZINC000908534841 664113093 /nfs/dbraw/zinc/11/30/93/664113093.db2.gz GKYQTCMLALAHQP-SFHVURJKSA-N 1 0 394.313 2.504 20 0 GFADRO CC(C)[NH2+]C1(CO)CCN(C(=O)c2ccc(OC(F)(F)Cl)cc2)CC1 ZINC000908601890 664116707 /nfs/dbraw/zinc/11/67/07/664116707.db2.gz GACXGJNCMOJJCI-UHFFFAOYSA-N 1 0 376.831 2.820 20 0 GFADRO Cn1c(-c2cc(F)ccc2Br)nnc1N1C[C@H]2C[N@H+](C)C[C@@]2(C)C1 ZINC000908610898 664117811 /nfs/dbraw/zinc/11/78/11/664117811.db2.gz PCKLJBGPAILGKP-DIFFPNOSSA-N 1 0 394.292 2.772 20 0 GFADRO CC[C@@H]1C[N@H+](CC)CCN1C(=O)c1cc(Br)cn(C2CC2)c1=O ZINC000909212192 664148645 /nfs/dbraw/zinc/14/86/45/664148645.db2.gz JUBQTQBXMNJEOW-CYBMUJFWSA-N 1 0 382.302 2.502 20 0 GFADRO CCS(=O)(=O)c1cc(Cl)cc(CNC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)c1 ZINC000910408677 664209979 /nfs/dbraw/zinc/20/99/79/664209979.db2.gz TXSCEPCRLLUDOV-WBVHZDCISA-N 1 0 384.929 2.767 20 0 GFADRO C[NH+](C)C1CCC(NC(=O)C(F)(F)c2ncccc2Br)CC1 ZINC000911194584 664238317 /nfs/dbraw/zinc/23/83/17/664238317.db2.gz SNWYJAWBALCQIC-UHFFFAOYSA-N 1 0 376.245 2.925 20 0 GFADRO C[NH2+]C[C@H]1CCCN(C(=O)c2cc(Br)c(Br)[nH]2)C1 ZINC000911630530 664250721 /nfs/dbraw/zinc/25/07/21/664250721.db2.gz RIWWMOGJSHVEBU-MRVPVSSYSA-N 1 0 379.096 2.611 20 0 GFADRO C[NH2+]C[C@H]1CCCN(C(=O)c2cc(Br)cnc2Br)C1 ZINC000911632828 664251044 /nfs/dbraw/zinc/25/10/44/664251044.db2.gz CNRKEDPNXLWLKC-SECBINFHSA-N 1 0 391.107 2.678 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)c1cc2ccc(Br)cc2c(=O)o1 ZINC000911685363 664252811 /nfs/dbraw/zinc/25/28/11/664252811.db2.gz SVKOQMMERXHJFY-IINYFYTJSA-N 1 0 379.254 2.897 20 0 GFADRO [NH3+]C[C@H]1CCCN(C(=O)c2cnn(Cc3ccccc3)c2Br)C1 ZINC000911714002 664253981 /nfs/dbraw/zinc/25/39/81/664253981.db2.gz NGEQYCNJDBHROJ-CQSZACIVSA-N 1 0 377.286 2.505 20 0 GFADRO [NH3+]C[C@@H]1CCCCN1C(=O)c1cc(Br)cnc1Br ZINC000911723089 664254313 /nfs/dbraw/zinc/25/43/13/664254313.db2.gz YCHIZYYQSWHEQX-VIFPVBQESA-N 1 0 377.080 2.560 20 0 GFADRO C[C@@H]([NH3+])C1CCN(C(=O)c2ccc(Cn3cc(Br)cn3)s2)CC1 ZINC000911753178 664255416 /nfs/dbraw/zinc/25/54/16/664255416.db2.gz JKNGNMQCQBOMNY-LLVKDONJSA-N 1 0 397.342 2.955 20 0 GFADRO Cc1cc(C(=O)N2CC[C@H]([NH3+])[C@@H](C)C2)nn1-c1ccccc1Br ZINC000911820129 664257255 /nfs/dbraw/zinc/25/72/55/664257255.db2.gz FTBXIPYEXLNVSJ-FZMZJTMJSA-N 1 0 377.286 2.753 20 0 GFADRO CN(CC(C)(C)C[NH3+])C(=O)c1cc(Br)cnc1Br ZINC000911868682 664259939 /nfs/dbraw/zinc/25/99/39/664259939.db2.gz RNUDWXLIDSTIBD-UHFFFAOYSA-N 1 0 379.096 2.664 20 0 GFADRO Cc1cc(I)ccc1NC(=O)c1ccc2c(n1)C[NH2+]CC2 ZINC000911918596 664261917 /nfs/dbraw/zinc/26/19/17/664261917.db2.gz BSRPPOOZUKFCMC-UHFFFAOYSA-N 1 0 393.228 2.893 20 0 GFADRO O=C(Nc1ccc(I)cc1)c1ncoc1C1CC[NH2+]CC1 ZINC000911925614 664262184 /nfs/dbraw/zinc/26/21/84/664262184.db2.gz BNOODMADLLNTNU-UHFFFAOYSA-N 1 0 397.216 2.999 20 0 GFADRO Cc1cc(CCC(=O)N(CCO)C2CC[NH+](C)CC2)ccc1Br ZINC000911940811 664262898 /nfs/dbraw/zinc/26/28/98/664262898.db2.gz XHAZHJHYWIOMLZ-UHFFFAOYSA-N 1 0 383.330 2.605 20 0 GFADRO CC(C)Oc1cc(C(=O)N(CCO)C2CC[NH+](C)CC2)ccc1Br ZINC000911944567 664263179 /nfs/dbraw/zinc/26/31/79/664263179.db2.gz AJCPKABIMLPQLJ-UHFFFAOYSA-N 1 0 399.329 2.765 20 0 GFADRO CC(C)N(Cc1ccccc1)C(=O)c1cc(Br)cn(CC[NH3+])c1=O ZINC000911959942 664263587 /nfs/dbraw/zinc/26/35/87/664263587.db2.gz JDTNMGAMGCLMIL-UHFFFAOYSA-N 1 0 392.297 2.620 20 0 GFADRO C[C@]1(C(=O)Nc2ncc(Cc3ccc(Br)cc3)s2)C[C@@H](O)C[NH2+]1 ZINC000912168198 664272913 /nfs/dbraw/zinc/27/29/13/664272913.db2.gz DFOYOGZYWROHMT-MLGOLLRUSA-N 1 0 396.310 2.548 20 0 GFADRO [NH3+][C@H](CC(=O)N(C[C@@H]1CCOC1)C1CC1)Cc1ccc(Br)cc1 ZINC000912331352 664282025 /nfs/dbraw/zinc/28/20/25/664282025.db2.gz KERZAEWXGOPEON-HOCLYGCPSA-N 1 0 381.314 2.737 20 0 GFADRO COc1cc(/C=C/C(=O)N[C@]2(C)C[NH+]3CCC2CC3)cc(Br)c1O ZINC000912378869 664284357 /nfs/dbraw/zinc/28/43/57/664284357.db2.gz KXRUXDTZRLHTFR-OAJJDEHYSA-N 1 0 395.297 2.777 20 0 GFADRO CC(C)C[NH2+]C1(CO)CCN(C(=O)c2ccc(Br)s2)CC1 ZINC000912596458 664294443 /nfs/dbraw/zinc/29/44/43/664294443.db2.gz RUXFCECDSTWJAA-UHFFFAOYSA-N 1 0 375.332 2.723 20 0 GFADRO CC[N@H+](CC(=O)N[C@H](c1nccn1C)c1ccc(Br)cc1)C1CC1 ZINC000912679525 664297668 /nfs/dbraw/zinc/29/76/68/664297668.db2.gz XDWKBRDSDRIGBF-KRWDZBQOSA-N 1 0 391.313 2.873 20 0 GFADRO O=C(N1CC[C@H]([NH+]2CCC2)C1)C1(c2ccc(I)cc2)CC1 ZINC000912907043 664309549 /nfs/dbraw/zinc/30/95/49/664309549.db2.gz DIJFIXQKMGGVLR-HNNXBMFYSA-N 1 0 396.272 2.629 20 0 GFADRO COc1nsc(CNC(=O)c2sccc2C[NH+](C)C)c1Br ZINC000912944665 664311375 /nfs/dbraw/zinc/31/13/75/664311375.db2.gz HBIPPDPUNAYSIX-UHFFFAOYSA-N 1 0 390.328 2.967 20 0 GFADRO COc1nsc(CNC(=O)c2ccc(CC[NH+](C)C)cc2)c1Br ZINC000912946453 664312848 /nfs/dbraw/zinc/31/28/48/664312848.db2.gz YMPYHKMTENUUHI-UHFFFAOYSA-N 1 0 398.326 2.948 20 0 GFADRO C[C@H](NC(=O)C[C@]1(O)CCC[N@H+](C)C1)c1cc(F)c(Br)cc1F ZINC000912992712 664315857 /nfs/dbraw/zinc/31/58/57/664315857.db2.gz LDUIQBFHTNQADR-MGPLVRAMSA-N 1 0 391.256 2.751 20 0 GFADRO C[C@@H](NC(=O)C[C@]1(O)CCC[N@H+](C)C1)c1cc(F)c(Br)cc1F ZINC000912992714 664315905 /nfs/dbraw/zinc/31/59/05/664315905.db2.gz LDUIQBFHTNQADR-QLJPJBMISA-N 1 0 391.256 2.751 20 0 GFADRO C[C@@H]1CN(C(C)(C)C[NH2+]C[C@H](O)c2cccc(Br)c2)C[C@H](C)O1 ZINC000913116968 664325463 /nfs/dbraw/zinc/32/54/63/664325463.db2.gz ROLHGDWEZNVBHH-VBQJREDUSA-N 1 0 385.346 2.960 20 0 GFADRO Cc1nc2ccc(Br)cn2c1C(=O)N1CCC(C)([NH+](C)C)CC1 ZINC000913393532 664334689 /nfs/dbraw/zinc/33/46/89/664334689.db2.gz ZXOQNPBVUOOECT-UHFFFAOYSA-N 1 0 379.302 2.962 20 0 GFADRO CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)Cc2cc(Br)ccc2Cl)C1 ZINC000913428184 664337066 /nfs/dbraw/zinc/33/70/66/664337066.db2.gz UGUVRMXLCVWRFQ-ZDUSSCGKSA-N 1 0 389.721 2.606 20 0 GFADRO C[NH+](C)CC1(O)CCN(C(=O)c2cc(F)c(Br)c(Cl)c2)CC1 ZINC000913676663 664348804 /nfs/dbraw/zinc/34/88/04/664348804.db2.gz GFHLBAHTVFYYPJ-UHFFFAOYSA-N 1 0 393.684 2.770 20 0 GFADRO C[NH+](C)CC1(O)CCN(C(=O)c2cc3c(ccc(F)c3Br)[nH]2)CC1 ZINC000913677303 664348970 /nfs/dbraw/zinc/34/89/70/664348970.db2.gz JMDDHYATJHWYDE-UHFFFAOYSA-N 1 0 398.276 2.598 20 0 GFADRO C[NH+](C)CC1(O)CCN(C(=O)COc2cc(Cl)c(Cl)cc2Cl)CC1 ZINC000913682978 664350046 /nfs/dbraw/zinc/35/00/46/664350046.db2.gz HASVMZNBKILDMY-UHFFFAOYSA-N 1 0 395.714 2.941 20 0 GFADRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)S(=O)(=O)Cc1ccc(F)cc1Br ZINC000914178302 664383284 /nfs/dbraw/zinc/38/32/84/664383284.db2.gz IIFMHRLKQHHLFH-XHDPSFHLSA-N 1 0 393.322 2.690 20 0 GFADRO C[C@H](CNC(=O)N(C)Cc1ncc(Br)cn1)C[NH+]1CCCCC1 ZINC000914277626 664394115 /nfs/dbraw/zinc/39/41/15/664394115.db2.gz KEUISCFTSMKDIF-CYBMUJFWSA-N 1 0 384.322 2.503 20 0 GFADRO C[C@H](CNC(=O)N1CCC[C@@H]1c1ncc(Br)cn1)[NH+]1CCCCC1 ZINC000914293269 664395910 /nfs/dbraw/zinc/39/59/10/664395910.db2.gz JLCBNEXHQACUSG-UKRRQHHQSA-N 1 0 396.333 2.960 20 0 GFADRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)NCc2cnc(Br)cn2)C1 ZINC000914330958 664400327 /nfs/dbraw/zinc/40/03/27/664400327.db2.gz GWAUZCBKDGLKSA-CHWSQXEVSA-N 1 0 398.349 2.795 20 0 GFADRO CCC[N@@H+]1CC[C@H](CNC(=O)N2CCC[C@@H]2c2ncc(Br)cn2)C1 ZINC000914337931 664400900 /nfs/dbraw/zinc/40/09/00/664400900.db2.gz RKULFCAJCOLUNV-UKRRQHHQSA-N 1 0 396.333 2.818 20 0 GFADRO CN(C)S(=O)(=O)c1cc(C(=O)OCC[C@H]2CCCC[N@@H+]2C)ccc1Cl ZINC000914429374 664410031 /nfs/dbraw/zinc/41/00/31/664410031.db2.gz QMGXHTDUYIGGOA-CQSZACIVSA-N 1 0 388.917 2.622 20 0 GFADRO Cc1ncsc1C[N@H+](C)C[C@@H]1CCN(S(=O)(=O)CCCC(C)(F)F)C1 ZINC000915052812 664419746 /nfs/dbraw/zinc/41/97/46/664419746.db2.gz BOTFAOSAGNNKJL-AWEZNQCLSA-N 1 0 395.541 2.970 20 0 GFADRO COC(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@@H](C)[N@@H+]2CCCC[C@H]2C)c1 ZINC000915291350 664427057 /nfs/dbraw/zinc/42/70/57/664427057.db2.gz JSIBESQYNUZPAG-CHWSQXEVSA-N 1 0 388.917 2.668 20 0 GFADRO C[C@H]1CCCC[N@@H+]1CCNC(=O)c1cn(-c2ccccc2Br)nn1 ZINC000916054274 664448116 /nfs/dbraw/zinc/44/81/16/664448116.db2.gz NYJLXYBVSZILSC-ZDUSSCGKSA-N 1 0 392.301 2.634 20 0 GFADRO CC[C@@H](CO)[NH2+]CC(=O)Nc1c(Br)cc(C)cc1Br ZINC000916570410 664465269 /nfs/dbraw/zinc/46/52/69/664465269.db2.gz BURCARZXJFAMMO-VIFPVBQESA-N 1 0 394.107 2.819 20 0 GFADRO C[N@H+](CCNC(=O)NC1(c2ncc(Br)cn2)CCC1)C1CCCC1 ZINC000916978565 664474840 /nfs/dbraw/zinc/47/48/40/664474840.db2.gz CRANBOYVOSWBRG-UHFFFAOYSA-N 1 0 396.333 2.792 20 0 GFADRO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)NCc1cnc(Br)cn1 ZINC000917577294 664486796 /nfs/dbraw/zinc/48/67/96/664486796.db2.gz JXVNIQIZLLXYAR-AWEZNQCLSA-N 1 0 384.322 2.693 20 0 GFADRO O=S(=O)(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(OC(F)F)c(Cl)c1 ZINC000917654143 664488025 /nfs/dbraw/zinc/48/80/25/664488025.db2.gz BMVWYSZZLATOMR-QWRGUYRKSA-N 1 0 380.844 2.847 20 0 GFADRO C[C@@H](CNS(=O)(=O)N(C)Cc1c(F)cccc1Cl)[NH+]1CCCCC1 ZINC000917660415 664488248 /nfs/dbraw/zinc/48/82/48/664488248.db2.gz ABUQOWUBWNLYKZ-ZDUSSCGKSA-N 1 0 377.913 2.620 20 0 GFADRO COCC[N@H+](C)CCCNC(=O)[C@H]1CC(c2ccc(Cl)cc2Cl)=NO1 ZINC000917668850 664488431 /nfs/dbraw/zinc/48/84/31/664488431.db2.gz IGXVTOUFXCZCJI-MRXNPFEDSA-N 1 0 388.295 2.571 20 0 GFADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)N1CCC[C@]1(C)Cc1ccc(Cl)s1 ZINC000917973383 664493741 /nfs/dbraw/zinc/49/37/41/664493741.db2.gz XVUKBRXWEGVFAW-KBXCAEBGSA-N 1 0 384.977 2.754 20 0 GFADRO C[NH+](C)CC1CCN(C(=O)/C=C\c2ccc(I)o2)CC1 ZINC000918695473 664502983 /nfs/dbraw/zinc/50/29/83/664502983.db2.gz GZLDAVMPEKWUQI-XQRVVYSFSA-N 1 0 388.249 2.698 20 0 GFADRO CCC[NH+]1CCC(NC(=O)NC2(c3ncc(Br)cn3)CCC2)CC1 ZINC000920500947 664527114 /nfs/dbraw/zinc/52/71/14/664527114.db2.gz MOGBQFBPTLWXMZ-UHFFFAOYSA-N 1 0 396.333 2.792 20 0 GFADRO O=C(CN1CCC[C@@H]1Cc1ccc(Br)cc1)Nc1nncs1 ZINC000920761869 664530631 /nfs/dbraw/zinc/53/06/31/664530631.db2.gz REOBXWCENQECAJ-CYBMUJFWSA-N 1 0 381.299 2.946 20 0 GFADRO CN(C)c1cc[nH+]c(CNS(=O)(=O)Cc2ccc(Br)cc2)c1 ZINC000921024677 664535538 /nfs/dbraw/zinc/53/55/38/664535538.db2.gz INDIQQBANUAEPU-UHFFFAOYSA-N 1 0 384.299 2.530 20 0 GFADRO C[NH+](C)CC[C@@H](NS(=O)(=O)Cc1ccc(F)cc1Cl)c1cccnc1 ZINC000921478590 664549835 /nfs/dbraw/zinc/54/98/35/664549835.db2.gz NMDPHOBJOYPZOT-QGZVFWFLSA-N 1 0 385.892 2.987 20 0 GFADRO C[NH+](C)CC[C@@H](NS(=O)(=O)CCc1ccccc1Cl)c1cccnc1 ZINC000921479106 664550031 /nfs/dbraw/zinc/55/00/31/664550031.db2.gz BLAIFRKOFQRDRU-GOSISDBHSA-N 1 0 381.929 2.890 20 0 GFADRO C[NH+](C)CC[C@@H](NS(=O)(=O)Cc1ccc(F)c(Cl)c1)c1cccnc1 ZINC000921481153 664550199 /nfs/dbraw/zinc/55/01/99/664550199.db2.gz BSRPJEHZPMGGSQ-QGZVFWFLSA-N 1 0 385.892 2.987 20 0 GFADRO COc1ccc([C@H](C[NH2+]Cc2nc(Br)c[nH]2)N(C)C)cc1OC ZINC000921482867 664550338 /nfs/dbraw/zinc/55/03/38/664550338.db2.gz XKNNHFANQZUUFB-LBPRGKRZSA-N 1 0 383.290 2.582 20 0 GFADRO Brc1ccc(N2CC[C@H]([NH2+]Cc3cnc4n3CCOC4)C2)cc1 ZINC000921671855 664560168 /nfs/dbraw/zinc/56/01/68/664560168.db2.gz DSVBCPJCGFSINN-AWEZNQCLSA-N 1 0 377.286 2.544 20 0 GFADRO CC1([NH+]2CCC2)CCC(NS(=O)(=O)c2cccc(Br)n2)CC1 ZINC000921716114 664563438 /nfs/dbraw/zinc/56/34/38/664563438.db2.gz KAESPDIBCUQKBX-UHFFFAOYSA-N 1 0 388.331 2.529 20 0 GFADRO CC1([NH+]2CCC2)CCC(NS(=O)(=O)c2ccc(Br)cn2)CC1 ZINC000921722850 664564513 /nfs/dbraw/zinc/56/45/13/664564513.db2.gz TYYQEOAUWMKJPR-UHFFFAOYSA-N 1 0 388.331 2.529 20 0 GFADRO CCn1c(Br)c(Br)nc1CNCC[N@@H+]1CC[C@H](C)C1 ZINC000921806582 664569954 /nfs/dbraw/zinc/56/99/54/664569954.db2.gz QAWPOIYATZDMNE-JTQLQIEISA-N 1 0 394.155 2.859 20 0 GFADRO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)NCc1cnc(Br)cn1 ZINC000921820083 664570737 /nfs/dbraw/zinc/57/07/37/664570737.db2.gz ROGRVYYBINUMGF-CYBMUJFWSA-N 1 0 392.301 2.559 20 0 GFADRO C[NH+](C)C1CCN(c2ccc(NCc3nc(Br)c[nH]3)nc2)CC1 ZINC000921860315 664573731 /nfs/dbraw/zinc/57/37/31/664573731.db2.gz AJBSIPIZBZRKRJ-UHFFFAOYSA-N 1 0 379.306 2.710 20 0 GFADRO CCn1c(C[NH2+]C[C@@H]2CC[C@@H](O)C2)nc(Br)c1Br ZINC000922044312 664582564 /nfs/dbraw/zinc/58/25/64/664582564.db2.gz NAFMVUDZNVDJJZ-RKDXNWHRSA-N 1 0 381.112 2.679 20 0 GFADRO Cc1nc(C[NH2+]C[C@@H]2CCC3(CCOCC3)[C@@H]2O)sc1Br ZINC000922111441 664586341 /nfs/dbraw/zinc/58/63/41/664586341.db2.gz YDXAOHXAMCRLIE-WCQYABFASA-N 1 0 375.332 2.871 20 0 GFADRO CCn1c(C[NH2+]CCC(C)(C)CO)nc(Br)c1Br ZINC000922153776 664588058 /nfs/dbraw/zinc/58/80/58/664588058.db2.gz OZVYSACZNSCOJX-UHFFFAOYSA-N 1 0 383.128 2.926 20 0 GFADRO CCn1c(C[NH2+]CC2(COC)CC2)nc(Br)c1Br ZINC000922226737 664590582 /nfs/dbraw/zinc/59/05/82/664590582.db2.gz PACZNEPGGCODAJ-UHFFFAOYSA-N 1 0 381.112 2.944 20 0 GFADRO NS(=O)(=O)c1cc(C[NH2+]CC[C@@H]2CC[C@H](C(F)(F)F)O2)ccc1Cl ZINC000922676132 664610496 /nfs/dbraw/zinc/61/04/96/664610496.db2.gz HDURGRZCKVCECP-GXFFZTMASA-N 1 0 386.823 2.577 20 0 GFADRO Cn1c2cc(Cl)ccc2nc1C[NH2+]CCc1ccccc1S(C)(=O)=O ZINC000922678654 664610644 /nfs/dbraw/zinc/61/06/44/664610644.db2.gz DUHAIPKVARPSSS-UHFFFAOYSA-N 1 0 377.897 2.963 20 0 GFADRO Cc1cc(CC[NH2+]Cc2c(Br)cncc2Br)nn1C ZINC000922685543 664610810 /nfs/dbraw/zinc/61/08/10/664610810.db2.gz JRAWGQDZUZKCHC-UHFFFAOYSA-N 1 0 388.107 2.981 20 0 GFADRO Brc1ccc(-n2cc(C[NH2+]C[C@@H]3C[C@@H]4COC[C@@H]4O3)cn2)cc1 ZINC000922730760 664612436 /nfs/dbraw/zinc/61/24/36/664612436.db2.gz VNDXFNWQWIOLIE-COXVUDFISA-N 1 0 378.270 2.528 20 0 GFADRO COc1ccc(C[NH2+]C[C@@H]2CCC3(CCOCC3)O2)c(Br)c1O ZINC000922806845 664615060 /nfs/dbraw/zinc/61/50/60/664615060.db2.gz NQUVYAHFBLLMIU-ZDUSSCGKSA-N 1 0 386.286 2.981 20 0 GFADRO COc1ccc(Br)cc1C(=O)N1CCC([NH2+]C2CCOCC2)CC1 ZINC000922868094 664617010 /nfs/dbraw/zinc/61/70/10/664617010.db2.gz BDJDDEKXIJSGEG-UHFFFAOYSA-N 1 0 397.313 2.831 20 0 GFADRO CC(C)c1n[nH]c(C(=O)N2CCC([NH2+]C3CCOCC3)CC2)c1Br ZINC000922865013 664617060 /nfs/dbraw/zinc/61/70/60/664617060.db2.gz FHQOJHIQVPVZGX-UHFFFAOYSA-N 1 0 399.333 2.669 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+][C@H]2CCCc3cccnc32)cc1Br ZINC000922884984 664617447 /nfs/dbraw/zinc/61/74/47/664617447.db2.gz XBZDLFYXFUBIKH-AWEZNQCLSA-N 1 0 396.310 2.659 20 0 GFADRO Fc1ccc(C[NH2+]CCOC2CCOCC2)c(I)c1 ZINC000922935211 664619138 /nfs/dbraw/zinc/61/91/38/664619138.db2.gz SXDXHQMVSYFYPI-UHFFFAOYSA-N 1 0 379.213 2.716 20 0 GFADRO O[C@H]1C[C@@H]([NH2+]Cc2cn(-c3ccc(Cl)cc3Cl)nn2)C12CCOCC2 ZINC000923021804 664621336 /nfs/dbraw/zinc/62/13/36/664621336.db2.gz ULLABZFAKVYOCU-CVEARBPZSA-N 1 0 383.279 2.594 20 0 GFADRO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)C[C@H]1Sc2ccc(Cl)cc2NC1=O ZINC000923306383 664627870 /nfs/dbraw/zinc/62/78/70/664627870.db2.gz JZHWAWKDAOHZPA-WOSRLPQWSA-N 1 0 379.913 2.838 20 0 GFADRO O[C@@H](COc1ccc(Cl)cc1Cl)CN1CC[NH2+]C[C@H]1c1cccnc1 ZINC000923349833 664628782 /nfs/dbraw/zinc/62/87/82/664628782.db2.gz WVOIMCPDOCTPMS-WBVHZDCISA-N 1 0 382.291 2.775 20 0 GFADRO O[C@H](COc1ccc(Cl)cc1Br)CN1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000923417554 664630133 /nfs/dbraw/zinc/63/01/33/664630133.db2.gz ZIFRIQBKOWWTES-AEGPPILISA-N 1 0 389.721 2.669 20 0 GFADRO COC(OC)[C@@H](C)NC(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000923450231 664630788 /nfs/dbraw/zinc/63/07/88/664630788.db2.gz SYKQBTFZXHDUFO-YGRLFVJLSA-N 1 0 378.300 2.903 20 0 GFADRO O=S(=O)([C@H]1CCC[NH2+]C1)N1CCC(c2nc3cc(Cl)ccc3o2)CC1 ZINC000923590814 664634407 /nfs/dbraw/zinc/63/44/07/664634407.db2.gz DVBHXWLUHDFYBO-AWEZNQCLSA-N 1 0 383.901 2.742 20 0 GFADRO C[C@H]1CN(S(=O)(=O)c2cccc(Br)c2Cl)CC[C@@H]1C[NH3+] ZINC000923704125 664636474 /nfs/dbraw/zinc/63/64/74/664636474.db2.gz RNBMAMCRKDPHCN-VHSXEESVSA-N 1 0 381.723 2.708 20 0 GFADRO C[C@@H]1CN(S(=O)(=O)c2cccc(Br)c2Cl)CC[C@@H]1C[NH3+] ZINC000923704110 664636499 /nfs/dbraw/zinc/63/64/99/664636499.db2.gz RNBMAMCRKDPHCN-NXEZZACHSA-N 1 0 381.723 2.708 20 0 GFADRO C[C@H]1CN(S(=O)(=O)c2cccc(Cl)c2Br)CC[C@H]1C[NH3+] ZINC000923705209 664636568 /nfs/dbraw/zinc/63/65/68/664636568.db2.gz WITQQEJLJVGCBT-UWVGGRQHSA-N 1 0 381.723 2.708 20 0 GFADRO [NH3+]CC[C@H]1Cc2ccccc2N(S(=O)(=O)c2c(Cl)nc3sccn32)C1 ZINC000923747201 664637715 /nfs/dbraw/zinc/63/77/15/664637715.db2.gz VULWQLFTLWHHJV-NSHDSACASA-N 1 0 396.925 2.766 20 0 GFADRO C[C@@H](OC(=O)COC1CC[NH+](C)CC1)C(=O)Nc1ccc(Cl)cc1Cl ZINC000923795097 664638085 /nfs/dbraw/zinc/63/80/85/664638085.db2.gz IGDWEFZJARUNMD-LLVKDONJSA-N 1 0 389.279 2.974 20 0 GFADRO C[C@@H]([NH2+][C@@H](c1cccs1)C1CC1)c1ccc(S(=O)(=O)CC(N)=O)cc1 ZINC000924593521 664658716 /nfs/dbraw/zinc/65/87/16/664658716.db2.gz VWYNOPCWUXADLH-KZULUSFZSA-N 1 0 378.519 2.809 20 0 GFADRO C[C@H]([NH2+]C1CCN(CC(=O)Nc2ccccc2)CC1)C1(Br)CC1 ZINC000924623833 664659028 /nfs/dbraw/zinc/65/90/28/664659028.db2.gz SHEYTUBOJRONTM-AWEZNQCLSA-N 1 0 380.330 2.995 20 0 GFADRO C[C@@H](NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1cccc(Br)n1 ZINC000924641747 664659215 /nfs/dbraw/zinc/65/92/15/664659215.db2.gz GMTYERODEUKDHW-RHSMWYFYSA-N 1 0 390.325 2.914 20 0 GFADRO C[C@H]([NH2+]Cc1csc(Br)c1)C1CCN(S(C)(=O)=O)CC1 ZINC000924653672 664659253 /nfs/dbraw/zinc/65/92/53/664659253.db2.gz BSTCVZYGTOOUGT-JTQLQIEISA-N 1 0 381.361 2.660 20 0 GFADRO CN(C)c1cc[nH+]c(CNC(=O)NC[C@@H](O)c2c(Cl)cccc2Cl)c1 ZINC000924663007 664659372 /nfs/dbraw/zinc/65/93/72/664659372.db2.gz XRQIWXCAXYRBGK-OAHLLOKOSA-N 1 0 383.279 2.987 20 0 GFADRO C[C@H](C[C@H]1CCC(=O)N1)[NH2+][C@@H](C)c1cc2c(cc1Br)OCCO2 ZINC000924822865 664662292 /nfs/dbraw/zinc/66/22/92/664662292.db2.gz YHJNHULRSBZVGO-GRYCIOLGSA-N 1 0 383.286 2.928 20 0 GFADRO C[C@H]([NH2+]CC1(c2cccc(Br)c2)CCOCC1)c1cnnn1C ZINC000924821879 664662312 /nfs/dbraw/zinc/66/23/12/664662312.db2.gz RNSZLWRDMGKFHZ-ZDUSSCGKSA-N 1 0 379.302 2.977 20 0 GFADRO COc1cc([C@H](C)[NH2+]CCCNC(=O)c2ccc(Br)cc2)on1 ZINC000924907887 664663891 /nfs/dbraw/zinc/66/38/91/664663891.db2.gz OTKMEKUJJCKNQM-NSHDSACASA-N 1 0 382.258 2.916 20 0 GFADRO CN(Cc1nc(C(F)(F)F)cs1)C(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000925153155 664667366 /nfs/dbraw/zinc/66/73/66/664667366.db2.gz KFCRCVDKSHNSSV-GHMZBOCLSA-N 1 0 394.488 2.883 20 0 GFADRO O=C(N[C@H](CCO)c1ccc(Cl)cc1)N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000925164717 664667630 /nfs/dbraw/zinc/66/76/30/664667630.db2.gz PWBBDBCXLVLBPP-IXDOHACOSA-N 1 0 383.945 2.643 20 0 GFADRO CC(C)(CO)[C@H](NC(=O)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12)c1cccs1 ZINC000925175349 664668065 /nfs/dbraw/zinc/66/80/65/664668065.db2.gz VHBJCOMVFYSVDW-OFQRWUPVSA-N 1 0 383.583 2.687 20 0 GFADRO O=S(=O)(Cc1ccccc1)N1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)S3)CC1 ZINC000925427470 664672164 /nfs/dbraw/zinc/67/21/64/664672164.db2.gz HMZLHDKCISKFBI-YQQQUEKLSA-N 1 0 380.579 2.997 20 0 GFADRO C[C@H]([NH2+][C@H]1CCC[C@@H](S(C)(=O)=O)C1)c1nc(Br)ccc1F ZINC000925456764 664672408 /nfs/dbraw/zinc/67/24/08/664672408.db2.gz NMDDRVVLTOMFSI-GARJFASQSA-N 1 0 379.295 2.990 20 0 GFADRO Cc1cc(Br)cn2cc(CCN[C@H]3[C@@H]4[NH2+]C[C@@H]5C[C@H]3C[C@@H]54)nc12 ZINC000925648200 664673706 /nfs/dbraw/zinc/67/37/06/664673706.db2.gz QMRVPTDQXNZJGF-PASATYPHSA-N 1 0 375.314 2.534 20 0 GFADRO CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]C[C@]2(C(F)(F)F)CCCN2)cc1 ZINC000925856050 664676200 /nfs/dbraw/zinc/67/62/00/664676200.db2.gz JCVLMHQXIZWORV-WFASDCNBSA-N 1 0 379.448 2.783 20 0 GFADRO C[C@H]1CN(C(=O)Nc2cccc(F)c2I)CC[C@@H]1C[NH3+] ZINC000926080484 664681111 /nfs/dbraw/zinc/68/11/11/664681111.db2.gz XAMFFDYTOZCSKP-VHSXEESVSA-N 1 0 391.228 2.879 20 0 GFADRO COC(=O)c1cc(NC(=O)N2C[C@@H]([NH3+])C(C)(C)C2)cc(Br)c1F ZINC000926104666 664681819 /nfs/dbraw/zinc/68/18/19/664681819.db2.gz MQPKQMIEUDSWQB-LLVKDONJSA-N 1 0 388.237 2.576 20 0 GFADRO CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)c1csc(C(F)(F)F)c1)C2 ZINC000926138752 664682811 /nfs/dbraw/zinc/68/28/11/664682811.db2.gz UTKRBDFCBVZXPD-HLSYRSCKSA-N 1 0 376.444 2.976 20 0 GFADRO Cc1nc(Cl)c(Cl)cc1C(=O)N[C@@H]1C[C@]2(C[N@@H+](C)[C@@H]2C(C)C)C[C@H]1O ZINC000926150754 664683143 /nfs/dbraw/zinc/68/31/43/664683143.db2.gz NPLGKMDNKVFBHN-ATNYBXOESA-N 1 0 386.323 2.906 20 0 GFADRO CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)[C@H]1SCCc3sccc31)C2 ZINC000926169481 664683637 /nfs/dbraw/zinc/68/36/37/664683637.db2.gz FMQIPYNNPAMMSP-WWECUESFSA-N 1 0 380.579 2.674 20 0 GFADRO CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)Cc1ccccc1Br)C2 ZINC000926175329 664683981 /nfs/dbraw/zinc/68/39/81/664683981.db2.gz WZAZZCXMMZAWLU-FPAYPSAMSA-N 1 0 395.341 2.588 20 0 GFADRO CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)c1cc(Br)ccc1F)C2 ZINC000926191292 664684524 /nfs/dbraw/zinc/68/45/24/664684524.db2.gz XJIJUQJXLRZKSC-KONPQCLYSA-N 1 0 399.304 2.798 20 0 GFADRO Cc1c(I)ccc(NC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)c1C ZINC000926202705 664684679 /nfs/dbraw/zinc/68/46/79/664684679.db2.gz MNORCCQVTITCEY-RISCZKNCSA-N 1 0 385.249 2.734 20 0 GFADRO [NH3+][C@H]1C[C@@H](CNC(=O)Nc2ccc(I)c(Cl)c2)C1 ZINC000926221060 664684918 /nfs/dbraw/zinc/68/49/18/664684918.db2.gz YVVGKWAFEQEBML-OCAPTIKFSA-N 1 0 379.629 2.803 20 0 GFADRO CC(=O)N[C@H](c1ccccc1F)[C@@H](C)[NH2+]Cc1ccc(S(C)(=O)=O)s1 ZINC000926250423 664685515 /nfs/dbraw/zinc/68/55/15/664685515.db2.gz OOFJRUSWWXRIBU-DIFFPNOSSA-N 1 0 384.498 2.646 20 0 GFADRO CCn1nc(C)c([C@@H](C)[NH2+]C[C@H](CO)Cc2ccc(Br)cc2)n1 ZINC000926283168 664686216 /nfs/dbraw/zinc/68/62/16/664686216.db2.gz GJHDFZNYYJERAS-IUODEOHRSA-N 1 0 381.318 2.871 20 0 GFADRO COc1cc(Br)cc(CNC(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)c1 ZINC000926291670 664686785 /nfs/dbraw/zinc/68/67/85/664686785.db2.gz DAPHTNLSBGQNEJ-CZUORRHYSA-N 1 0 382.302 2.693 20 0 GFADRO C[C@@H]([NH2+][C@H](C)C1CCN(S(C)(=O)=O)CC1)c1ccc(Br)cn1 ZINC000926335964 664687935 /nfs/dbraw/zinc/68/79/35/664687935.db2.gz DFSCUQOVUNJMPD-VXGBXAGGSA-N 1 0 390.347 2.555 20 0 GFADRO COc1ccc(C[C@H](CO)C[NH2+][C@@H](C)c2cn(C)cn2)cc1Br ZINC000926540464 664691904 /nfs/dbraw/zinc/69/19/04/664691904.db2.gz JZTILDWFHYAUGY-JSGCOSHPSA-N 1 0 382.302 2.693 20 0 GFADRO Cc1c(Br)cccc1C[C@H](CO)C[NH2+][C@@H](C)C[C@@H]1CCC(=O)N1 ZINC000926545181 664692364 /nfs/dbraw/zinc/69/23/64/664692364.db2.gz UYRNATRBWFEDPJ-NOLJZWGESA-N 1 0 383.330 2.555 20 0 GFADRO O=S1(=O)C[C@@H](C[NH2+][C@@H]2CCCc3c(Cl)ccnc32)Oc2ccccc21 ZINC000926626068 664694118 /nfs/dbraw/zinc/69/41/18/664694118.db2.gz GOGGMTDVTWUNLW-IUODEOHRSA-N 1 0 378.881 2.937 20 0 GFADRO C[C@H]([NH2+]CCNC(=O)c1ccc(Br)cn1)c1cnn(C2CCC2)c1 ZINC000926683372 664695261 /nfs/dbraw/zinc/69/52/61/664695261.db2.gz NGTOKOCOFOEDCW-LBPRGKRZSA-N 1 0 392.301 2.846 20 0 GFADRO C[C@@H]([NH2+]C[C@H]1CN(Cc2ccncc2)CCO1)c1cccc(Br)n1 ZINC000926771031 664696539 /nfs/dbraw/zinc/69/65/39/664696539.db2.gz JTXPDZSZCOYQGG-ZBFHGGJFSA-N 1 0 391.313 2.791 20 0 GFADRO C[C@H](C[C@@H]1CCC(=O)N1)[NH2+]Cc1ccn(-c2ccc(Br)cc2)n1 ZINC000926874446 664698262 /nfs/dbraw/zinc/69/82/62/664698262.db2.gz TYAOIRYXUWMDCK-OCCSQVGLSA-N 1 0 377.286 2.782 20 0 GFADRO C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]CC(C)(C)CS(C)(=O)=O ZINC000926952708 664699383 /nfs/dbraw/zinc/69/93/83/664699383.db2.gz BRDREEZIBPWYIZ-AWEZNQCLSA-N 1 0 388.961 2.737 20 0 GFADRO CCO[C@@H](CN[C@@H](c1ccc(Br)cc1)c1cncnc1)C[NH+](C)C ZINC000926958923 664699471 /nfs/dbraw/zinc/69/94/71/664699471.db2.gz IOINSAGKWKVCOI-ROUUACIJSA-N 1 0 393.329 2.885 20 0 GFADRO CC[NH+](CC)Cc1ccc(C(=O)N(C)Cc2ncc(Br)cn2)o1 ZINC000926980881 664700984 /nfs/dbraw/zinc/70/09/84/664700984.db2.gz CFJAGOUXDGCORR-UHFFFAOYSA-N 1 0 381.274 2.946 20 0 GFADRO CCO[C@@H]1C[C@@H]([NH2+]CC2(n3cc(Br)cn3)CC2)C12CCOCC2 ZINC000927003755 664702048 /nfs/dbraw/zinc/70/20/48/664702048.db2.gz BZSRSYWAHLXXGT-HUUCEWRRSA-N 1 0 384.318 2.699 20 0 GFADRO CC(C)C[C@H]([NH2+]C[C@@H](O)CS(C)(=O)=O)c1cccc(Br)c1 ZINC000927028253 664702667 /nfs/dbraw/zinc/70/26/67/664702667.db2.gz WTXXDLKYNJRPOR-CABCVRRESA-N 1 0 378.332 2.531 20 0 GFADRO C[C@@H]([NH2+][C@H]1CCS[C@H](C)C1)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000927035047 664702857 /nfs/dbraw/zinc/70/28/57/664702857.db2.gz ZRGBYSRZNVCJRL-INMHGKMJSA-N 1 0 384.567 2.642 20 0 GFADRO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@H]1C[C@@H](O)C12CCOCC2 ZINC000927163962 664705391 /nfs/dbraw/zinc/70/53/91/664705391.db2.gz QGSFKBPGMAWEDC-UHOFOFEASA-N 1 0 397.313 2.686 20 0 GFADRO CN(C)c1cc[nH+]c(CNC(=O)C(F)(F)c2ncccc2Br)c1 ZINC000927711809 664714458 /nfs/dbraw/zinc/71/44/58/664714458.db2.gz YHLJEYSJOMSQKA-UHFFFAOYSA-N 1 0 385.212 2.713 20 0 GFADRO Cc1c(NC(=O)C(=O)N[C@H](C)[C@@H](C)[NH3+])cc(Br)cc1C(F)(F)F ZINC000927800451 664716043 /nfs/dbraw/zinc/71/60/43/664716043.db2.gz ZTVNNCIHPNYJTF-HTQZYQBOSA-N 1 0 396.207 2.567 20 0 GFADRO [NH3+][C@@H]1CN(C(=O)C(=O)Nc2cc(C(F)F)ccc2Cl)C[C@H]1C(F)(F)F ZINC000927844618 664716544 /nfs/dbraw/zinc/71/65/44/664716544.db2.gz WZCCXOAANCQTEP-VXNVDRBHSA-N 1 0 385.720 2.564 20 0 GFADRO C[C@@H]1CN(C(=O)C(=O)Nc2ccccc2SC(F)(F)F)CC[C@@H]1C[NH3+] ZINC000927893089 664717474 /nfs/dbraw/zinc/71/74/74/664717474.db2.gz NBNGVMNUUAGMEM-GHMZBOCLSA-N 1 0 375.416 2.680 20 0 GFADRO C[C@H]1CN(C(=O)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC[C@@H]1C[NH3+] ZINC000927893188 664717489 /nfs/dbraw/zinc/71/74/89/664717489.db2.gz LXEUVEBTXRCJBX-VHSXEESVSA-N 1 0 377.794 2.741 20 0 GFADRO CC1([NH+]2CCCC2)CCC(NC(=O)Cn2ccc(Br)cc2=O)CC1 ZINC000928013062 664719796 /nfs/dbraw/zinc/71/97/96/664719796.db2.gz ROBLISIJIVLQKI-UHFFFAOYSA-N 1 0 396.329 2.524 20 0 GFADRO O=C(N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12)C1(c2cncc(Br)c2)CC1 ZINC000928086608 664722245 /nfs/dbraw/zinc/72/22/45/664722245.db2.gz QAFLTIWYCKTULY-CABCVRRESA-N 1 0 396.354 2.572 20 0 GFADRO O=C(Cc1cscc1Br)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000928084327 664722328 /nfs/dbraw/zinc/72/23/28/664722328.db2.gz WSRHFVKHUALSLB-CHWSQXEVSA-N 1 0 375.357 2.749 20 0 GFADRO O=C(Cc1ccc(Br)s1)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000928091149 664722687 /nfs/dbraw/zinc/72/26/87/664722687.db2.gz CGICEPDBAOLRCN-RYUDHWBXSA-N 1 0 375.357 2.749 20 0 GFADRO C[NH+](C)CCn1cc(C(=O)N2CCC[C@@H]2c2cncc(Br)c2)cn1 ZINC000928354161 664728521 /nfs/dbraw/zinc/72/85/21/664728521.db2.gz OCJZYIZDACIREE-MRXNPFEDSA-N 1 0 392.301 2.580 20 0 GFADRO CN(C(=O)[C@H]1CC[N@H+](C)C[C@@H]1c1cnn(C)c1)c1ccc(Br)cc1 ZINC000928918693 664741592 /nfs/dbraw/zinc/74/15/92/664741592.db2.gz UYNAVRQTGNEUBO-DLBZAZTESA-N 1 0 391.313 2.881 20 0 GFADRO C[NH+]1CCC2(CCN2C(=O)Nc2cccc(I)c2)CC1 ZINC000929193990 664748213 /nfs/dbraw/zinc/74/82/13/664748213.db2.gz NMAYAULPDVGSFG-UHFFFAOYSA-N 1 0 385.249 2.993 20 0 GFADRO CC(C)(C)NS(=O)(=O)C1([C@@H](O)C[N@@H+]2CCC[C@@H]2c2ccsc2)CCC1 ZINC000929261740 664749050 /nfs/dbraw/zinc/74/90/50/664749050.db2.gz BPEJLUUQCNDAEY-CVEARBPZSA-N 1 0 386.583 2.887 20 0 GFADRO CC(C)[N@@H+](Cc1cc(Br)ccc1F)C[C@H](O)C[C@]1(O)CCOC1 ZINC000929384754 664751600 /nfs/dbraw/zinc/75/16/00/664751600.db2.gz ZSELGKAQASLGRT-NVXWUHKLSA-N 1 0 390.293 2.701 20 0 GFADRO C[N@H+](CCCOc1cccc(S(C)(=O)=O)c1)CCOC1CCSCC1 ZINC000929416443 664752129 /nfs/dbraw/zinc/75/21/29/664752129.db2.gz LZTKGBHRSGALOG-UHFFFAOYSA-N 1 0 387.567 2.703 20 0 GFADRO O=C(C[C@H]1C(=O)Nc2c1cccc2Br)NCCC[NH+]1CCCCC1 ZINC000929425471 664752210 /nfs/dbraw/zinc/75/22/10/664752210.db2.gz UWMJGPQETBZXHG-CQSZACIVSA-N 1 0 394.313 2.867 20 0 GFADRO C[C@](O)(C[NH2+]C[C@H](c1cccs1)N1CCOCC1)C(F)(F)C(F)(F)F ZINC000929530829 664753793 /nfs/dbraw/zinc/75/37/93/664753793.db2.gz OJBWPMUVLQJPKJ-YPMHNXCESA-N 1 0 388.402 2.660 20 0 GFADRO C[C@@H]([C@H](C)S(C)(=O)=O)[N@H+](C)C[C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F ZINC000929640860 664755432 /nfs/dbraw/zinc/75/54/32/664755432.db2.gz WPKKNQLFBYLVBU-LMRQPLJMSA-N 1 0 379.444 2.922 20 0 GFADRO O=C(Nc1ccc(F)cc1Br)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000929737750 664756920 /nfs/dbraw/zinc/75/69/20/664756920.db2.gz KYJHMJMMVLVGSE-LSDHHAIUSA-N 1 0 386.265 2.651 20 0 GFADRO C[C@H](c1cccc(S(N)(=O)=O)c1)[N@H+](C)C[C@H]1CCC[C@@H](C(F)(F)F)O1 ZINC000929963404 664760383 /nfs/dbraw/zinc/76/03/83/664760383.db2.gz JJRUAGSSGLBRTQ-KYOSRNDESA-N 1 0 380.432 2.827 20 0 GFADRO CC(C)[N@H+](CCS(C)(=O)=O)C[C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F ZINC000930086365 664762464 /nfs/dbraw/zinc/76/24/64/664762464.db2.gz KNWSOYUWKWVMOI-GOEBONIOSA-N 1 0 379.444 2.924 20 0 GFADRO CCc1ccc(Br)cc1C(=O)NCCCN1CC[NH+](CC)CC1 ZINC000930217423 664764798 /nfs/dbraw/zinc/76/47/98/664764798.db2.gz BLLQJYRQGUPGBM-UHFFFAOYSA-N 1 0 382.346 2.769 20 0 GFADRO CC(C)[C@@H](CC(F)(F)F)[NH2+]C[C@H](O)C1(S(=O)(=O)NC(C)(C)C)CCC1 ZINC000930247959 664765136 /nfs/dbraw/zinc/76/51/36/664765136.db2.gz BFUWKQUVWJBSPT-OLZOCXBDSA-N 1 0 388.496 2.555 20 0 GFADRO O=C(Nc1cc(F)ccc1Br)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000930351031 664767805 /nfs/dbraw/zinc/76/78/05/664767805.db2.gz MWEKIDWDUQWBSZ-GJZGRUSLSA-N 1 0 386.265 2.651 20 0 GFADRO CC[N@@H+]1CC[C@@H](CNC(=O)[C@H](C)c2ccc(I)cc2)C1 ZINC000930368939 664768399 /nfs/dbraw/zinc/76/83/99/664768399.db2.gz XIBXNFKMDKSASW-OLZOCXBDSA-N 1 0 386.277 2.853 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)c1cc(Br)cnc1Br ZINC000930675446 664775717 /nfs/dbraw/zinc/77/57/17/664775717.db2.gz LBFAYUVBERRUMV-SECBINFHSA-N 1 0 389.091 2.573 20 0 GFADRO CC[N@@H+]1CCC[C@H](CNC(=O)C[C@@H]2C(=O)Nc3c2cccc3Br)C1 ZINC000931127888 664786761 /nfs/dbraw/zinc/78/67/61/664786761.db2.gz VOLJMOWTZDBHTO-OCCSQVGLSA-N 1 0 394.313 2.723 20 0 GFADRO Cc1cc(C(=O)N2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)oc1Br ZINC000931300547 664790888 /nfs/dbraw/zinc/79/08/88/664790888.db2.gz ADURVYYYKXDQMS-HUUCEWRRSA-N 1 0 398.345 2.981 20 0 GFADRO C[NH+]1CCC(OCC(=O)Nc2cc(Cl)ccc2N2CCSCC2)CC1 ZINC000931302307 664790921 /nfs/dbraw/zinc/79/09/21/664790921.db2.gz JFCMITGTQYDZPB-UHFFFAOYSA-N 1 0 383.945 2.943 20 0 GFADRO C[NH+]1C[C@]2(C)CN(CC(=O)Nc3ccc(Br)cc3F)C[C@@]2(C)C1 ZINC000931306960 664791037 /nfs/dbraw/zinc/79/10/37/664791037.db2.gz DECSIUSAZDSVOT-IAGOWNOFSA-N 1 0 384.293 2.800 20 0 GFADRO COc1c(C)[nH]cc(C[N@H+](C)C[C@@H](O)c2ccc(Br)cc2)c1=O ZINC000931322561 664791638 /nfs/dbraw/zinc/79/16/38/664791638.db2.gz AZVJEAYDIBIQFS-OAHLLOKOSA-N 1 0 381.270 2.620 20 0 GFADRO COC(=O)c1cc(NC(=O)N[C@H]2CC[N@H+](C)[C@@H]2C)c(C)cc1Br ZINC000931408199 664794361 /nfs/dbraw/zinc/79/43/61/664794361.db2.gz ZCBADKODUCAADO-MFKMUULPSA-N 1 0 384.274 2.758 20 0 GFADRO CC(F)(F)CCC[NH+]1CCN(c2ncc(I)cn2)CC1 ZINC000931463509 664795502 /nfs/dbraw/zinc/79/55/02/664795502.db2.gz DYVNIWXVTCEMAW-UHFFFAOYSA-N 1 0 396.223 2.639 20 0 GFADRO CC[NH+]1CCC(N(C)C(=O)C[C@H]2C(=O)Nc3ccc(Br)cc32)CC1 ZINC000931634845 664801139 /nfs/dbraw/zinc/80/11/39/664801139.db2.gz HKGAZXWWVNDWQO-OAHLLOKOSA-N 1 0 394.313 2.818 20 0 GFADRO CN(CC(C)(C)C[NH+](C)C)C(=O)Nc1nc2cc(Br)ccn2n1 ZINC000931646984 664801573 /nfs/dbraw/zinc/80/15/73/664801573.db2.gz CELVQOPZQMKVCW-UHFFFAOYSA-N 1 0 383.294 2.543 20 0 GFADRO COC1(OC)CCOC[C@@H]1[NH2+]CCCCOc1ccc(Br)cc1 ZINC000931677568 664802445 /nfs/dbraw/zinc/80/24/45/664802445.db2.gz SNMQORKKAYVLOC-INIZCTEOSA-N 1 0 388.302 2.976 20 0 GFADRO Cc1cc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](C3OCCO3)C2)ccc1Br ZINC000932001288 664808526 /nfs/dbraw/zinc/80/85/26/664808526.db2.gz AVKBMWHEIPHJIH-CHWSQXEVSA-N 1 0 383.286 2.779 20 0 GFADRO C[C@H](C(=O)NC[C@@H]1CCC[N@H+](C)C1)c1ccc(I)cc1 ZINC000932311860 664819467 /nfs/dbraw/zinc/81/94/67/664819467.db2.gz MXKXBFVZPUJDIJ-STQMWFEESA-N 1 0 386.277 2.853 20 0 GFADRO Cc1c(Br)cc(F)cc1C(=O)N(C)CCCN1CC[NH+](C)CC1 ZINC000932474812 664822839 /nfs/dbraw/zinc/82/28/39/664822839.db2.gz MBXZDOJMFPRIMH-UHFFFAOYSA-N 1 0 386.309 2.606 20 0 GFADRO Cc1c(Br)ccc(F)c1C(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000932716097 664832753 /nfs/dbraw/zinc/83/27/53/664832753.db2.gz XQYOCRGHUUGZDD-GFCCVEGCSA-N 1 0 386.309 2.510 20 0 GFADRO CC(C)[C@@H](C[NH+](C)C)NC(=O)C[C@@H]1C(=O)Nc2c1cccc2Br ZINC000932714084 664832764 /nfs/dbraw/zinc/83/27/64/664832764.db2.gz XESUWOULLNDNOU-GXTWGEPZSA-N 1 0 382.302 2.577 20 0 GFADRO Cc1c(I)ccc(NC(=O)N(C)CC[NH+](C)C)c1C ZINC000932724308 664833533 /nfs/dbraw/zinc/83/35/33/664833533.db2.gz YWHVFTBZFHFSHO-UHFFFAOYSA-N 1 0 375.254 2.933 20 0 GFADRO Cc1ncc(NC(=O)NCCCC[N@@H+]2CCC[C@H]2CO)c(C)c1Br ZINC000932782504 664838138 /nfs/dbraw/zinc/83/81/38/664838138.db2.gz GLCZDZFVFYKXGF-AWEZNQCLSA-N 1 0 399.333 2.819 20 0 GFADRO O[C@@]1(c2ccc(Br)cc2)CCC[N@H+](CCN2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000932817245 664840134 /nfs/dbraw/zinc/84/01/34/664840134.db2.gz NALWVVGHWPHAHU-OTWHNJEPSA-N 1 0 395.341 2.596 20 0 GFADRO O=C(CC[NH+]1CCC2(CC1)C[C@@H](O)CCO2)Nc1ccc(Br)cc1 ZINC000933060610 664848737 /nfs/dbraw/zinc/84/87/37/664848737.db2.gz PLQGWDKRUSZOKR-INIZCTEOSA-N 1 0 397.313 2.784 20 0 GFADRO O[C@@H](COc1ccc(Cl)c(Cl)c1)C[NH+]1CCC2(CC1)C[C@H](O)CCO2 ZINC000933068000 664849232 /nfs/dbraw/zinc/84/92/32/664849232.db2.gz YKRZJROXPAOVFW-ZIAGYGMSSA-N 1 0 390.307 2.739 20 0 GFADRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C[C@H]1C(=O)Nc2c1cccc2Br ZINC000933437280 664864048 /nfs/dbraw/zinc/86/40/48/664864048.db2.gz ZVSVGABKBLRTMA-UXIGCNINSA-N 1 0 394.313 2.674 20 0 GFADRO C[C@@](CO)(Cc1ccc(Cl)cc1)[NH2+]C[C@H](O)c1cc(Br)no1 ZINC000933445562 664864861 /nfs/dbraw/zinc/86/48/61/664864861.db2.gz RCSHEIKCDRPFGG-WFASDCNBSA-N 1 0 389.677 2.707 20 0 GFADRO C[C@H]1C[C@@H](NC(=O)c2cnn(Cc3ccccc3)c2Br)CC[N@@H+]1C ZINC000933489312 664866686 /nfs/dbraw/zinc/86/66/86/664866686.db2.gz AHMVHOMZPKYUQI-ZFWWWQNUSA-N 1 0 391.313 2.906 20 0 GFADRO C[N@@H+]1C[C@@H]2CN([C@@H]3CCc4cc(Br)ccc4NC3=O)C[C@]2(C)C1 ZINC000933733337 664874866 /nfs/dbraw/zinc/87/48/66/664874866.db2.gz CKTPVVWPAVKOIA-QBIMZIAESA-N 1 0 378.314 2.586 20 0 GFADRO CC[NH+](CC)[C@H]1CCN(C(=O)c2cc(Br)c3nccnc3c2)C1 ZINC000933793802 664878119 /nfs/dbraw/zinc/87/81/19/664878119.db2.gz GLIKTXIISFPLOI-ZDUSSCGKSA-N 1 0 377.286 2.949 20 0 GFADRO Cc1c(Br)ccc(F)c1C(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000934164741 664891423 /nfs/dbraw/zinc/89/14/23/664891423.db2.gz HOJXDQIARIBTDX-UHFFFAOYSA-N 1 0 386.309 2.652 20 0 GFADRO C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000934258629 664894809 /nfs/dbraw/zinc/89/48/09/664894809.db2.gz CGJYCNFDBNHREG-CSMYWGQOSA-N 1 0 386.323 2.851 20 0 GFADRO C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000934258630 664894816 /nfs/dbraw/zinc/89/48/16/664894816.db2.gz CGJYCNFDBNHREG-DQYPLSBCSA-N 1 0 386.323 2.851 20 0 GFADRO C[C@H](C(=O)Nc1cc(Cl)ccc1Cl)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000934260743 664895055 /nfs/dbraw/zinc/89/50/55/664895055.db2.gz NYUVVCSMOMFXJA-JLZZUVOBSA-N 1 0 386.323 2.851 20 0 GFADRO COc1cc(Br)ccc1CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2CCO ZINC000934263709 664895344 /nfs/dbraw/zinc/89/53/44/664895344.db2.gz DGFGVKVWTSIOAW-QZTJIDSGSA-N 1 0 397.357 2.921 20 0 GFADRO C[C@@](CO)([NH2+]CC(=O)NCc1cccs1)c1cccc(Br)c1 ZINC000934499649 664909489 /nfs/dbraw/zinc/90/94/89/664909489.db2.gz XFDADKALJSMAMY-INIZCTEOSA-N 1 0 383.311 2.624 20 0 GFADRO CCOC(=O)CC(C)(C)CC[NH+]1CCC(CN=[S@@](C)(=O)N(C)C)CC1 ZINC000934753349 664918686 /nfs/dbraw/zinc/91/86/86/664918686.db2.gz WDVXTWHMBKWWKZ-RUZDIDTESA-N 1 0 375.579 2.642 20 0 GFADRO CN(C)[S@](C)(=O)=NCC1CC[NH+](C[C@H](O)c2ccc(Cl)c(F)c2)CC1 ZINC000934753416 664918968 /nfs/dbraw/zinc/91/89/68/664918968.db2.gz XJUQPXDCCDDMAT-SSOJOUAXSA-N 1 0 391.940 2.799 20 0 GFADRO CCO[C@H](C[NH2+][C@H](CO)c1ccccc1I)C1CC1 ZINC000934825909 664924328 /nfs/dbraw/zinc/92/43/28/664924328.db2.gz HQEXDGPFOWRKQP-HUUCEWRRSA-N 1 0 375.250 2.729 20 0 GFADRO CC1(C)C[C@H]([NH2+][C@H](CO)c2ccccc2I)CCO1 ZINC000934826780 664924741 /nfs/dbraw/zinc/92/47/41/664924741.db2.gz NOKKXHOKTYIFEQ-BXUZGUMPSA-N 1 0 375.250 2.872 20 0 GFADRO CS[C@H]1CN(C(=O)c2cc(Br)c3nccnc3c2)C[C@@H]1[NH+](C)C ZINC000935113127 664940327 /nfs/dbraw/zinc/94/03/27/664940327.db2.gz MNQNSTLHCGUWOZ-KBPBESRZSA-N 1 0 395.326 2.510 20 0 GFADRO C[C@H](NC(=O)c1cc(=O)[nH]cc1Br)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000935316033 664953432 /nfs/dbraw/zinc/95/34/32/664953432.db2.gz OUOMCVHYZDYISW-NWDGAFQWSA-N 1 0 382.302 2.933 20 0 GFADRO Cc1cc(C(=O)N2CCC(C)(C[NH+]3CCN(C)CC3)CC2)oc1Br ZINC000935370974 664957349 /nfs/dbraw/zinc/95/73/49/664957349.db2.gz BVMZYHQRIPOPBY-UHFFFAOYSA-N 1 0 398.345 2.840 20 0 GFADRO CN(C(=O)COC1CC[NH+](C)CC1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000935477376 664964153 /nfs/dbraw/zinc/96/41/53/664964153.db2.gz KSOJCKBWTYSHTL-WMZOPIPTSA-N 1 0 387.307 2.521 20 0 GFADRO Cc1cc(C(=O)N2CCC3(C[NH+](C)C3)C2)nn1-c1ccccc1Br ZINC000935666912 664979855 /nfs/dbraw/zinc/97/98/55/664979855.db2.gz PXZVZQIVSKFVAR-UHFFFAOYSA-N 1 0 389.297 2.721 20 0 GFADRO C[N@@H+]1CCN(CCNC(=O)c2ncc(C(F)(F)F)cc2Cl)CC1(C)C ZINC000935818467 664990718 /nfs/dbraw/zinc/99/07/18/664990718.db2.gz GJEBSFZTPRSUTA-UHFFFAOYSA-N 1 0 378.826 2.510 20 0 GFADRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1nc(Br)c2ccccn21 ZINC000935978293 665002247 /nfs/dbraw/zinc/00/22/47/665002247.db2.gz WGKMQDFHHZUYER-OLZOCXBDSA-N 1 0 377.286 2.796 20 0 GFADRO C[C@@H]1[C@H](C(=O)N[C@@H]2CCCC[C@H]2NC(=O)c2csc(Cl)c2)CC[N@@H+]1C ZINC000976667847 665017058 /nfs/dbraw/zinc/01/70/58/665017058.db2.gz JIEAKQYQZSIRHG-NMFUWQPSSA-N 1 0 383.945 2.899 20 0 GFADRO C[C@@H]1[C@H](C(=O)N[C@@H]2CC[C@H](CNC(=O)c3ccc(Cl)s3)C2)CC[N@@H+]1C ZINC000982157559 665018442 /nfs/dbraw/zinc/01/84/42/665018442.db2.gz CLZYKMIMHPVQAO-XJFOESAGSA-N 1 0 383.945 2.756 20 0 GFADRO C[N@@H+]1CCCC[C@@H]1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(Cl)s1)C2 ZINC001000585715 665047383 /nfs/dbraw/zinc/04/73/83/665047383.db2.gz NCADEYJFYVNLFL-ZOBORPQBSA-N 1 0 381.929 2.748 20 0 GFADRO C[C@@H]1CC[N@H+](CC(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ccc(Cl)s2)C3)C1 ZINC001000585737 665047415 /nfs/dbraw/zinc/04/74/15/665047415.db2.gz NXLQDRHIHSBFLK-MQYQWHSLSA-N 1 0 381.929 2.605 20 0 GFADRO C[NH+]1CCC(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cc(Cl)cs2)C3)CC1 ZINC001002614563 665055754 /nfs/dbraw/zinc/05/57/54/665055754.db2.gz UBVBKGSSOYKXJE-KFWWJZLASA-N 1 0 381.929 2.605 20 0 GFADRO Cc1csc(Cl)c1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C[NH+]1CCCC1 ZINC001004831604 665065849 /nfs/dbraw/zinc/06/58/49/665065849.db2.gz XFSSHLOGJIHPCF-MCIONIFRSA-N 1 0 381.929 2.667 20 0 GFADRO C[C@H]1CC[N@H+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2cc(Cl)cs2)C1 ZINC001006290306 665069878 /nfs/dbraw/zinc/06/98/78/665069878.db2.gz WVZXDAZFRGDDRH-MYPMTAMASA-N 1 0 381.929 2.605 20 0 GFADRO O=C([C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)N1CCC[C@@H](C[NH2+]Cc2csc(Cl)n2)C1 ZINC001024070893 665074300 /nfs/dbraw/zinc/07/43/00/665074300.db2.gz XNQAAEGTTWYGSW-JWTRZGPZSA-N 1 0 381.929 2.548 20 0 GFADRO C[C@H]([NH3+])CN(C)S(=O)(=O)c1c(Cl)cc(Br)cc1Cl ZINC000386008465 677407217 /nfs/dbraw/zinc/40/72/17/677407217.db2.gz UWBULDDVNHAUEH-LURJTMIESA-N 1 0 376.103 2.724 20 0 GFADRO COc1ccc(CNC(=O)N(C)[C@H]2CC[N@H+](C)C[C@H]2C)cc1Br ZINC000120462942 677396192 /nfs/dbraw/zinc/39/61/92/677396192.db2.gz WWHLHVWRIXREDA-DOMZBBRYSA-N 1 0 384.318 2.939 20 0 GFADRO CCS(=O)(=O)CC[NH2+][C@H](C)C[C@H]1CCCCCN1C(=O)OC(C)(C)C ZINC000160495622 677404231 /nfs/dbraw/zinc/40/42/31/677404231.db2.gz MTTNHSICIZXBTR-HZPDHXFCSA-N 1 0 376.563 2.969 20 0 GFADRO COc1c(Br)cc(Cl)cc1S(=O)(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000382530394 677406760 /nfs/dbraw/zinc/40/67/60/677406760.db2.gz WBBUYSBRLWRPHR-WPRPVWTQSA-N 1 0 397.722 2.517 20 0 GFADRO Cn1ncc(Br)c1C[NH2+][C@H]1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000382450060 677406790 /nfs/dbraw/zinc/40/67/90/677406790.db2.gz DIZRALANSDZMHG-RYUDHWBXSA-N 1 0 387.322 2.966 20 0 GFADRO C[N@H+](CCNC(=O)c1cc([N+](=O)[O-])ncc1Br)Cc1ccccc1 ZINC000386555884 677407615 /nfs/dbraw/zinc/40/76/15/677407615.db2.gz NBJXVORJVJGLTF-UHFFFAOYSA-N 1 0 393.241 2.614 20 0 GFADRO C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1[NH2+]Cc1c(Br)cnn1C ZINC000389777851 677408477 /nfs/dbraw/zinc/40/84/77/677408477.db2.gz BTJKFBHMOPCMOI-AAEUAGOBSA-N 1 0 387.322 2.918 20 0 GFADRO CCS(=O)(=O)CC[NH2+]Cc1cc(Br)cc(Br)c1 ZINC000394520773 677411225 /nfs/dbraw/zinc/41/12/25/677411225.db2.gz HUGHMHLTUNXCAZ-UHFFFAOYSA-N 1 0 385.121 2.736 20 0 GFADRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NS(=O)(=O)c1ccc(Cl)nc1 ZINC000398146556 677411848 /nfs/dbraw/zinc/41/18/48/677411848.db2.gz LTDHLGGJGBKWEF-YOEHRIQHSA-N 1 0 379.913 2.924 20 0 GFADRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NS(=O)(=O)c1ccc(Cl)nc1 ZINC000398146555 677411879 /nfs/dbraw/zinc/41/18/79/677411879.db2.gz LTDHLGGJGBKWEF-WMLDXEAASA-N 1 0 379.913 2.924 20 0 GFADRO Cc1cc(Br)c(C(=O)N(CCO)C2CC[NH+](C)CC2)cc1Cl ZINC000390385593 677673041 /nfs/dbraw/zinc/67/30/41/677673041.db2.gz DJYLQOGUSFUVIC-UHFFFAOYSA-N 1 0 389.721 2.940 20 0 GFADRO C[C@@H]1CN(C(=O)Nc2nc3ccsc3s2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000534266454 677673281 /nfs/dbraw/zinc/67/32/81/677673281.db2.gz HBUQVALWLRYJRH-OCCSQVGLSA-N 1 0 379.555 2.848 20 0 GFADRO C[C@H](CNC(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1)c1c(Cl)cccc1Cl ZINC000579827222 677673625 /nfs/dbraw/zinc/67/36/25/677673625.db2.gz DJEKVEUTPZEEDI-NEPJUHHUSA-N 1 0 382.295 2.870 20 0 GFADRO CC(C)(C)OC(=O)NCCNC(=O)[C@@H]1CCC[N@H+](C[C@@H]2CC2(Cl)Cl)C1 ZINC000747112996 677674483 /nfs/dbraw/zinc/67/44/83/677674483.db2.gz PLADAXFNYSKLCX-OLZOCXBDSA-N 1 0 394.343 2.533 20 0 GFADRO C[Si](C)(C)c1ccc(C(F)(F)N2CCO[C@H]3C[NH2+]CC[C@@H]3C2)nc1Cl ZINC001164407136 718863215 /nfs/dbraw/zinc/86/32/15/718863215.db2.gz JIXHIMRNMLVZED-OLZOCXBDSA-N 1 0 389.950 2.640 20 0 GFADRO FC(F)(Oc1ccc2c(Cl)ncnc2c1)N1CCO[C@H]2C[NH2+]CC[C@@H]2C1 ZINC001164410418 718863560 /nfs/dbraw/zinc/86/35/60/718863560.db2.gz ZZTGIVRUQXFFEE-ABAIWWIYSA-N 1 0 384.814 2.523 20 0 GFADRO F[C@H](Oc1cccc(-c2ccc(Cl)nn2)c1)N1CCO[C@H]2C[NH2+]CC[C@@H]2C1 ZINC001164409893 718864802 /nfs/dbraw/zinc/86/48/02/718864802.db2.gz VFJLYMVLJDIZCN-LJHODMEESA-N 1 0 392.862 2.739 20 0 GFADRO CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@H]2N1C(F)(F)c1cc(Cl)nc(Cl)c1 ZINC001164614471 719012489 /nfs/dbraw/zinc/01/24/89/719012489.db2.gz FLNANNKTEBPGFL-DVVUODLYSA-N 1 0 380.222 2.663 20 0 GFADRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@@H]2N1C(F)(F)c1ccc2ncnc(Cl)c2c1 ZINC001164616538 719014084 /nfs/dbraw/zinc/01/40/84/719014084.db2.gz LAIXZNZAGUHAOK-LKTVYLICSA-N 1 0 396.825 2.558 20 0 GFADRO CCOC(=O)C1CC[NH+](C2CCN(c3nc(Cl)nc(C)c3C)CC2)CC1 ZINC001164615244 719020631 /nfs/dbraw/zinc/02/06/31/719020631.db2.gz HUUUYJGQHMUJND-UHFFFAOYSA-N 1 0 380.920 2.991 20 0 GFADRO CCOC(=O)C1CC[NH+](C2CCN(c3cnc(-c4ccco4)cn3)CC2)CC1 ZINC001164614264 719025321 /nfs/dbraw/zinc/02/53/21/719025321.db2.gz QMFQGVFQIMVDCG-UHFFFAOYSA-N 1 0 384.480 2.981 20 0 GFADRO CCOC(=O)C1CC[NH+](C2CCN(c3ncc4cc(OC)ccc4n3)CC2)CC1 ZINC001164617933 719027614 /nfs/dbraw/zinc/02/76/14/719027614.db2.gz SEUMONMWCUZGFW-UHFFFAOYSA-N 1 0 398.507 2.882 20 0 GFADRO COC(=O)c1cc(OC)cnc1N1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001164623563 719070015 /nfs/dbraw/zinc/07/00/15/719070015.db2.gz JTGHCESJKHLBOK-PXNSSMCTSA-N 1 0 381.476 2.978 20 0 GFADRO CCOC(=O)c1ccc(C(F)(F)N2C[C@H](C3([NH3+])CC3)[C@H](CF)C2)c(Cl)n1 ZINC001164625307 719121232 /nfs/dbraw/zinc/12/12/32/719121232.db2.gz WSGMVLPTHAKKJR-PWSUYJOCSA-N 1 0 391.821 2.970 20 0 GFADRO COc1cccc(-c2nc3ccccc3c(N3C[C@H]4OCC[N@H+](C)[C@H]4C3)n2)c1 ZINC001164666286 719460181 /nfs/dbraw/zinc/46/01/81/719460181.db2.gz CTGSJTAFDQXWMR-VQTJNVASSA-N 1 0 376.460 2.825 20 0 GFADRO CC(C)N(C)Cc1nn(-c2nc(Cl)nc3c2CSC3)c2c1CC[NH2+]C2 ZINC001164685783 719615657 /nfs/dbraw/zinc/61/56/57/719615657.db2.gz VYDKZGDQJYGTQU-UHFFFAOYSA-N 1 0 378.933 2.548 20 0 GFADRO Cc1nc(C)c(-c2ccc(-n3nc(CN(C)C(C)C)c4c3C[NH2+]CC4)nn2)s1 ZINC001164679747 719648106 /nfs/dbraw/zinc/64/81/06/719648106.db2.gz LMHMADVFQXYNSH-UHFFFAOYSA-N 1 0 397.552 2.889 20 0 GFADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3ccncn3)CC2)c2ccccc21 ZINC001164680025 719655024 /nfs/dbraw/zinc/65/50/24/719655024.db2.gz COHHCNZRBRAAAL-SFHVURJKSA-N 1 0 393.535 2.570 20 0 GFADRO CNC(=O)C[N@@H+]1CCCC12CCN(C(F)(F)c1cc(C)cc(Cl)n1)CC2 ZINC001164687637 719725863 /nfs/dbraw/zinc/72/58/63/719725863.db2.gz ZZUBBQHEQPIIFX-UHFFFAOYSA-N 1 0 386.874 2.769 20 0 GFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ncc(C)c(N3CCCC3)n1)C2 ZINC001164806358 720066862 /nfs/dbraw/zinc/06/68/62/720066862.db2.gz BRIFOEXWFWCWJT-DENIHFKCSA-N 1 0 385.556 2.570 20 0 GFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(Cl)ccc1C(=O)OC)C2 ZINC001164814807 720070807 /nfs/dbraw/zinc/07/08/07/720070807.db2.gz WVNPSYRKGFAGRO-FOIQADDNSA-N 1 0 393.915 2.706 20 0 GFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(Cl)nc3ncccc31)C2 ZINC001164805946 720083753 /nfs/dbraw/zinc/08/37/53/720083753.db2.gz BGQPIGLRPJHINQ-MGPUTAFESA-N 1 0 387.915 2.863 20 0 GFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(Cl)nc3ncccc31)C2 ZINC001164805948 720083869 /nfs/dbraw/zinc/08/38/69/720083869.db2.gz BGQPIGLRPJHINQ-YWZLYKJASA-N 1 0 387.915 2.863 20 0 GFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cc(Cl)cc(C(=O)OC)n1)C2 ZINC001164814283 720087230 /nfs/dbraw/zinc/08/72/30/720087230.db2.gz WKPMYCKKFHVIMH-QRWLVFNGSA-N 1 0 393.915 2.706 20 0 GFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cc(Cl)nc3nc[nH]c31)C2 ZINC001164812475 720107087 /nfs/dbraw/zinc/10/70/87/720107087.db2.gz OMXQSCRSMGBSEV-KUHUBIRLSA-N 1 0 375.904 2.796 20 0 GFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cc(N3CCCCC3)ncn1)C2 ZINC001164818710 720164498 /nfs/dbraw/zinc/16/44/98/720164498.db2.gz UGKSNNCBBFUUIC-UGKGYDQZSA-N 1 0 385.556 2.652 20 0 GFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cc(-c3ccccn3)ncn1)C2 ZINC001164819890 720174319 /nfs/dbraw/zinc/17/43/19/720174319.db2.gz YWGQKAYKTSDXDR-AVRDEDQJSA-N 1 0 379.508 2.723 20 0 GFADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2ncnc3sccc32)CC1 ZINC001164820326 720287341 /nfs/dbraw/zinc/28/73/41/720287341.db2.gz VTPIHDIPNLUFTD-IAGOWNOFSA-N 1 0 385.537 2.603 20 0 GFADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2ccc3cccnc3n2)CC1 ZINC001164821645 720314433 /nfs/dbraw/zinc/31/44/33/720314433.db2.gz LSNYLDMRYQGYNN-MOPGFXCFSA-N 1 0 379.508 2.541 20 0 GFADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2nc(Cl)cnc2Cl)CC1 ZINC001164820003 720314785 /nfs/dbraw/zinc/31/47/85/720314785.db2.gz GDXAKXXACAXBOP-ZIAGYGMSSA-N 1 0 398.338 2.695 20 0 GFADRO Cc1nc(Cl)c(N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc1C ZINC001164834370 720319898 /nfs/dbraw/zinc/31/98/98/720319898.db2.gz ZRFPVLGWIPIIST-SJORKVTESA-N 1 0 391.947 2.658 20 0 GFADRO CCSc1cncc(N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164829122 720343794 /nfs/dbraw/zinc/34/37/94/720343794.db2.gz QPPASXKJYQJKFZ-IRXDYDNUSA-N 1 0 389.569 2.500 20 0 GFADRO CCSc1cncc(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164828881 720344142 /nfs/dbraw/zinc/34/41/42/720344142.db2.gz QPPASXKJYQJKFZ-DLBZAZTESA-N 1 0 389.569 2.500 20 0 GFADRO COC(=O)c1ccc2c(c1)ncnc2N1CC[C@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164723504 720345690 /nfs/dbraw/zinc/34/56/90/720345690.db2.gz HPXSBXQBDGKWLS-VQTJNVASSA-N 1 0 389.459 2.665 20 0 GFADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2cc(C3CCC3)ncn2)CC1 ZINC001164828012 720347870 /nfs/dbraw/zinc/34/78/70/720347870.db2.gz OAIPIDPMGWYJAW-PMACEKPBSA-N 1 0 383.540 2.656 20 0 GFADRO CCCCc1cc(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)ncn1 ZINC001164830517 720348753 /nfs/dbraw/zinc/34/87/53/720348753.db2.gz VUCSHHFSAHUAQT-VQTJNVASSA-N 1 0 385.556 2.731 20 0 GFADRO CCOC(=O)c1cc(Cl)nnc1N1CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164721154 720355692 /nfs/dbraw/zinc/35/56/92/720355692.db2.gz ATYLGXAMNXHTRK-HZPDHXFCSA-N 1 0 387.871 2.555 20 0 GFADRO CC(C)(C)NC(=O)c1ccc(N2CC[C@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)nc1 ZINC001164728985 720385656 /nfs/dbraw/zinc/38/56/56/720385656.db2.gz UOYPYXOHWYZRGN-OALUTQOASA-N 1 0 379.508 2.858 20 0 GFADRO COc1cc2ncnc(N3CC[C@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)c2c(OC)c1 ZINC001164729673 720394143 /nfs/dbraw/zinc/39/41/43/720394143.db2.gz VKONNMHDNHYTCV-RBUKOAKNSA-N 1 0 391.475 2.895 20 0 GFADRO CCN(C)c1ccnc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)n1 ZINC001164833251 720505447 /nfs/dbraw/zinc/50/54/47/720505447.db2.gz CGOIUGJEFGKELR-CEXWTWQISA-N 1 0 383.544 2.507 20 0 GFADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3nccc(NC4CC4)n3)CC[C@@H]21 ZINC001164837142 720505642 /nfs/dbraw/zinc/50/56/42/720505642.db2.gz NWKRNQJJMXTSNX-NEWSRXKRSA-N 1 0 381.528 2.625 20 0 GFADRO COc1cc(C(F)(F)N2Cc3nccn3C[C@H](C[NH+](C)C)C2)cc(Cl)n1 ZINC001164729855 720507648 /nfs/dbraw/zinc/50/76/48/720507648.db2.gz JSPMMJDAPCBJMR-LBPRGKRZSA-N 1 0 385.846 2.683 20 0 GFADRO COc1cccc2nc(Cl)nc(N3Cc4nccn4C[C@H](C[NH+](C)C)C3)c21 ZINC001164732136 720516940 /nfs/dbraw/zinc/51/69/40/720516940.db2.gz YRAWEXMGKAQSNJ-ZDUSSCGKSA-N 1 0 386.887 2.686 20 0 GFADRO C[NH+](C)C[C@H]1Cn2ccnc2CN(c2nc(Cl)ccc2CN2CCCC2)C1 ZINC001164727495 720517699 /nfs/dbraw/zinc/51/76/99/720517699.db2.gz HPRQGPAXZSMMLV-INIZCTEOSA-N 1 0 388.947 2.725 20 0 GFADRO COc1ccc(-c2cc(N3Cc4nccn4C[C@H](C[NH+](C)C)C3)ncn2)cc1 ZINC001164734963 720526710 /nfs/dbraw/zinc/52/67/10/720526710.db2.gz UHADVBYGDHZGNS-INIZCTEOSA-N 1 0 378.480 2.547 20 0 GFADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3cc(OCC4CC4)ncn3)CC[C@@H]21 ZINC001164834574 720559310 /nfs/dbraw/zinc/55/93/10/720559310.db2.gz DYYHPOUDGDWSNU-UFYCRDLUSA-N 1 0 396.539 2.840 20 0 GFADRO c1nc2n(c1C[NH+]1CCCC1)CCN(c1cncc(N3CCCCCC3)n1)CC2 ZINC001164736573 720588980 /nfs/dbraw/zinc/58/89/80/720588980.db2.gz NQTCRUJDRFCIAT-UHFFFAOYSA-N 1 0 395.555 2.712 20 0 GFADRO COc1cc(C)c2ncnc(N3CCc4ncc(C[NH+]5CCCC5)n4CC3)c2c1 ZINC001164739786 720599392 /nfs/dbraw/zinc/59/93/92/720599392.db2.gz HGORUIMVSDOLMT-UHFFFAOYSA-N 1 0 392.507 2.802 20 0 GFADRO CC(C)c1cc2c(ncnc2N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)s1 ZINC001164742400 720607954 /nfs/dbraw/zinc/60/79/54/720607954.db2.gz NCGDMSZYQQHBLV-GJZGRUSLSA-N 1 0 396.520 2.947 20 0 GFADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3nccnc3OC3CCC3)CC[C@@H]21 ZINC001164839464 720632022 /nfs/dbraw/zinc/63/20/22/720632022.db2.gz NJYAOODIYMTQGJ-BJLQDIEVSA-N 1 0 396.539 2.982 20 0 GFADRO CC(C)c1cc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)ncn1 ZINC001164740805 720823384 /nfs/dbraw/zinc/82/33/84/720823384.db2.gz LGQKQTNLWQYSFO-WSTZPKSXSA-N 1 0 381.528 2.571 20 0 GFADRO Cc1cc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc2[nH]ccc21 ZINC001164745196 720838351 /nfs/dbraw/zinc/83/83/51/720838351.db2.gz MOJSUWSUGBWZAT-QWFCFKBJSA-N 1 0 391.523 2.842 20 0 GFADRO c1cncc(COC[C@@H]2C[N@H+](CC3CC3)C[C@@]23CCN(c2ccncn2)C3)c1 ZINC001164754402 720867406 /nfs/dbraw/zinc/86/74/06/720867406.db2.gz RQEBXKRZGFXOJR-RBBKRZOGSA-N 1 0 379.508 2.627 20 0 GFADRO COCC[N@@H+]1CCO[C@@H]2CN(c3nc(Cl)cc(C(C)(C)C)n3)CC[C@H]2C1 ZINC001164859023 720869676 /nfs/dbraw/zinc/86/96/76/720869676.db2.gz UBMKBPYOUPQMAU-LSDHHAIUSA-N 1 0 382.936 2.601 20 0 GFADRO CCc1nc(Cl)nc(Cl)c1N1CC[C@@H]2C[N@H+](CCOC)CCO[C@@H]2C1 ZINC001164853302 720888636 /nfs/dbraw/zinc/88/86/36/720888636.db2.gz BQIBPNSHEVYDBK-TZMCWYRMSA-N 1 0 389.327 2.519 20 0 GFADRO C[N@H+](Cc1ccc(N2Cc3cncn3C[C@@H](COCC3CC3)C2)nc1)C1CC1 ZINC001164757753 720980648 /nfs/dbraw/zinc/98/06/48/720980648.db2.gz QJENDHYTBMFJMZ-IBGZPJMESA-N 1 0 381.524 2.935 20 0 GFADRO CCOC(=O)Cc1ccnc(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@@H]2C)c1 ZINC001164863759 721019899 /nfs/dbraw/zinc/01/98/99/721019899.db2.gz UYTLLZUZTXPCEZ-INIZCTEOSA-N 1 0 385.512 2.805 20 0 GFADRO Cc1nc2ccsc2c(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164871487 721042556 /nfs/dbraw/zinc/04/25/56/721042556.db2.gz ZDZLDKHHFARPTP-IAGOWNOFSA-N 1 0 381.505 2.874 20 0 GFADRO Clc1nnc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)c2cnccc12 ZINC001164869939 721057068 /nfs/dbraw/zinc/05/70/68/721057068.db2.gz UQLSRXNNPMMDIB-HOTGVXAUSA-N 1 0 396.882 2.553 20 0 GFADRO CCOc1ccc(Cl)nc1N1C[C@@H]2C[N@@H+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001164773691 721151563 /nfs/dbraw/zinc/15/15/63/721151563.db2.gz YQOFUMHJNJOGFJ-CVEARBPZSA-N 1 0 375.904 2.826 20 0 GFADRO C[N@H+](Cc1ccc(N2CCC3(CC2)CN(c2ccccn2)CCO3)nc1)C1CC1 ZINC001164870527 721220113 /nfs/dbraw/zinc/22/01/13/721220113.db2.gz GLFLZLUELSQYGC-UHFFFAOYSA-N 1 0 393.535 2.947 20 0 GFADRO Cc1cnc(N2CC[C@@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)c(Cl)c1 ZINC001164884404 721387665 /nfs/dbraw/zinc/38/76/65/721387665.db2.gz ARCMTJIYCYBPEG-FXAWDEMLSA-N 1 0 378.948 2.809 20 0 GFADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4nc(Cl)ccc4F)C3)O2)CC1 ZINC001164886831 721394694 /nfs/dbraw/zinc/39/46/94/721394694.db2.gz GQHTVXGNIYVGSF-KXBFYZLASA-N 1 0 382.911 2.640 20 0 GFADRO Cc1nc(N2CC[C@@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)ccc1Cl ZINC001164883515 721403352 /nfs/dbraw/zinc/40/33/52/721403352.db2.gz ALOPDCIKGKABTA-FXAWDEMLSA-N 1 0 378.948 2.809 20 0 GFADRO CCCCc1cc(N2CC[C@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)ncn1 ZINC001164894961 721444230 /nfs/dbraw/zinc/44/42/30/721444230.db2.gz NVLCPBRKFHHPDD-IRLDBZIGSA-N 1 0 387.572 2.585 20 0 GFADRO COc1ccnc(Cl)c1N1CC[C@@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2 ZINC001164895438 721444371 /nfs/dbraw/zinc/44/43/71/721444371.db2.gz PBDOGUWCEBIFOM-OXQOHEQNSA-N 1 0 394.947 2.509 20 0 GFADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(F)ccn1)CC2 ZINC001164786002 721450255 /nfs/dbraw/zinc/45/02/55/721450255.db2.gz LRXPPTVYWWTTLQ-LJQANCHMSA-N 1 0 377.504 2.955 20 0 GFADRO CC(C)C(=O)N1CC[C@@H]2CN(c3cccc(OCC[NH+]4CCCC4)n3)CC[C@@H]21 ZINC001164891669 721464972 /nfs/dbraw/zinc/46/49/72/721464972.db2.gz NGPZBLHJTVJFFI-MOPGFXCFSA-N 1 0 386.540 2.639 20 0 GFADRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1cc3c(cn1)NC(=O)C3)CC2 ZINC001164793819 721491014 /nfs/dbraw/zinc/49/10/14/721491014.db2.gz XMTCLFRKQHUKBI-UHFFFAOYSA-N 1 0 377.492 2.852 20 0 GFADRO C[NH+]1CCN(c2cccc(N3C[C@H]4CCC[C@]4(COc4ccccn4)C3)n2)CC1 ZINC001164794600 721506448 /nfs/dbraw/zinc/50/64/48/721506448.db2.gz ATLDECQLKWLFBH-AUSIDOKSSA-N 1 0 393.535 2.914 20 0 GFADRO Cc1cnc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)nc1N1CCCC1 ZINC001164900297 721508118 /nfs/dbraw/zinc/50/81/18/721508118.db2.gz PXQDVLSACTZDQQ-ICSRJNTNSA-N 1 0 397.498 2.866 20 0 GFADRO CCOC(=O)c1ccc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)nc1 ZINC001164898189 721511154 /nfs/dbraw/zinc/51/11/54/721511154.db2.gz IEVYCDJWSHXYEL-MJGOQNOKSA-N 1 0 385.439 2.739 20 0 GFADRO COC(=O)c1cc(C)nc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)c1 ZINC001164896856 721511888 /nfs/dbraw/zinc/51/18/88/721511888.db2.gz BOVNKMHQVPNQPD-IEBWSBKVSA-N 1 0 385.439 2.658 20 0 GFADRO CSc1nc(Cl)nc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)n1 ZINC001164901749 721523411 /nfs/dbraw/zinc/52/34/11/721523411.db2.gz YMCHLVCYJAQLRJ-TZMCWYRMSA-N 1 0 395.891 2.728 20 0 GFADRO CSc1nc(Cl)nc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)n1 ZINC001164901747 721523641 /nfs/dbraw/zinc/52/36/41/721523641.db2.gz YMCHLVCYJAQLRJ-OCCSQVGLSA-N 1 0 395.891 2.728 20 0 GFADRO Fc1cccc(O[C@H]2C[C@@H]3CN(c4cc(N5CCCCC5)ncn4)CC[N@@H+]3C2)c1 ZINC001164910209 721552462 /nfs/dbraw/zinc/55/24/62/721552462.db2.gz VWSDSZUGPAJZKI-QUCCMNQESA-N 1 0 397.498 2.948 20 0 GFADRO Cc1cc2ncnc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@H]4OCCC[C@@H]43)c2[nH]1 ZINC001164809881 721562454 /nfs/dbraw/zinc/56/24/54/721562454.db2.gz XTHIFNATEFIDEE-BJLQDIEVSA-N 1 0 378.480 2.530 20 0 GFADRO Cc1sc2ncnc(N3CCCC34CC[NH+](CC(=O)N(C)C)CC4)c2c1C ZINC001165008456 721732165 /nfs/dbraw/zinc/73/21/65/721732165.db2.gz OSGPSSDCTYWHKF-UHFFFAOYSA-N 1 0 387.553 2.831 20 0 GFADRO COc1cccc2ccc(N3CCCC34CC[NH+](CC(=O)N(C)C)CC4)nc21 ZINC001165011107 721733537 /nfs/dbraw/zinc/73/35/37/721733537.db2.gz LOXOWYGAUCTONM-UHFFFAOYSA-N 1 0 382.508 2.766 20 0 GFADRO COc1nc(Cl)nc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)n1 ZINC001165023930 721806487 /nfs/dbraw/zinc/80/64/87/721806487.db2.gz KBHKUHNWMRICSA-IMJJTQAJSA-N 1 0 388.903 2.666 20 0 GFADRO CCOC(=O)c1nccnc1N1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165025968 721811951 /nfs/dbraw/zinc/81/19/51/721811951.db2.gz ONYQQZWIUXJPGJ-QXAKKESOSA-N 1 0 395.507 2.785 20 0 GFADRO C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2C(F)(F)c1cnc(Cl)nc1Cl ZINC001164921981 721849155 /nfs/dbraw/zinc/84/91/55/721849155.db2.gz PDSVKBJDNICIKD-RYUDHWBXSA-N 1 0 380.270 2.543 20 0 GFADRO CN(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCN2c1nc(-c2ccccn2)nc2ccccc21 ZINC001164933560 721878434 /nfs/dbraw/zinc/87/84/34/721878434.db2.gz MUUGVSDRAISBCC-NHCUHLMSSA-N 1 0 388.519 2.906 20 0 GFADRO C[N@H+](Cc1ccc(N2CC[C@@H]3[C@@H](CO[C@H]3CC(=O)NC3CCC3)C2)nc1)C1CC1 ZINC001164936693 721897371 /nfs/dbraw/zinc/89/73/71/721897371.db2.gz ZPMSKOOKEQGFEO-UIFIKXQLSA-N 1 0 398.551 2.576 20 0 GFADRO c1csc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3c2ccc(CN3CCOCC3)cn2)c1 ZINC001164940266 721911525 /nfs/dbraw/zinc/91/15/25/721911525.db2.gz ZXRYNPLODKNSGL-KDURUIRLSA-N 1 0 384.549 2.829 20 0 GFADRO c1cnn(Cc2ncn3c2CN(c2ncccc2C[NH+]2CCCC2)CCC3)c1 ZINC001164938817 721916077 /nfs/dbraw/zinc/91/60/77/721916077.db2.gz RSYMOTIGHYZAHS-UHFFFAOYSA-N 1 0 377.496 2.529 20 0 GFADRO COc1cc(OC)nc(N2CCC3(CC2)C[N@H+](Cc2ccc(C)cc2)CCO3)n1 ZINC001164938910 721924023 /nfs/dbraw/zinc/92/40/23/721924023.db2.gz AUDLDINUZMMQFE-UHFFFAOYSA-N 1 0 398.507 2.674 20 0 GFADRO COc1cc2c(cc1F)ncnc2N1CC[NH+](CCOc2ccccc2)CC1 ZINC000302172551 721957738 /nfs/dbraw/zinc/95/77/38/721957738.db2.gz MWYZKAGBRSAKFK-UHFFFAOYSA-N 1 0 382.439 2.979 20 0 GFADRO CCOC(=O)c1ncnc(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)c1C ZINC001164953027 722019041 /nfs/dbraw/zinc/01/90/41/722019041.db2.gz QZHBIQKAAWDTKW-UHFFFAOYSA-N 1 0 395.507 2.849 20 0 GFADRO CC(C)Oc1cncc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)n1 ZINC001164959974 722059759 /nfs/dbraw/zinc/05/97/59/722059759.db2.gz BEBWIZARRZRZIB-UHFFFAOYSA-N 1 0 397.523 2.778 20 0 GFADRO Cc1nc(Cl)nc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c1C ZINC001164982856 722099336 /nfs/dbraw/zinc/09/93/36/722099336.db2.gz PNFMGMAWKJMHLB-MSOLQXFVSA-N 1 0 387.915 2.869 20 0 GFADRO Clc1ncnc2[nH]cc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)c21 ZINC001164980798 722103911 /nfs/dbraw/zinc/10/39/11/722103911.db2.gz KKRFQHNHJJLCMC-WBVHZDCISA-N 1 0 398.898 2.685 20 0 GFADRO Fc1ccc2ncc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)nc2c1 ZINC001164983759 722112190 /nfs/dbraw/zinc/11/21/90/722112190.db2.gz ZYGMZVGJTSQBTN-DYESRHJHSA-N 1 0 393.466 2.891 20 0 GFADRO Cc1[nH]c2ncnc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)c2c1C ZINC001164977544 722120671 /nfs/dbraw/zinc/12/06/71/722120671.db2.gz NLXWIGTZPDMBIQ-RTBURBONSA-N 1 0 392.507 2.697 20 0 GFADRO Fc1ccc2cnnc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)c2c1 ZINC001164971457 722122932 /nfs/dbraw/zinc/12/29/32/722122932.db2.gz CMDBZJRRXHJVSH-GHTZIAJQSA-N 1 0 393.466 2.891 20 0 GFADRO O=C1COc2ccc(N3CCC[C@]4(CC[N@H+]4Cc4cccc(F)c4)C3)nc2N1 ZINC001164995701 722201813 /nfs/dbraw/zinc/20/18/13/722201813.db2.gz POUOUBPDGUIUEV-NRFANRHFSA-N 1 0 382.439 2.797 20 0 GFADRO C[NH+](C)CCOCc1ncn2c1CN([C@@H](F)Oc1ccc(Cl)nc1)CCC2 ZINC001165002699 722253331 /nfs/dbraw/zinc/25/33/31/722253331.db2.gz SXXOVEBWZABGHO-GOSISDBHSA-N 1 0 397.882 2.548 20 0 GFADRO COc1ccc(Br)cc1CN(C)c1cc(-n2cccn2)nc(N)[nH+]1 ZINC000540076880 532734208 /nfs/dbraw/zinc/73/42/08/532734208.db2.gz GRHXNSFUXZGBHK-UHFFFAOYSA-N 1 0 389.257 2.652 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)NCCC(=O)NC1CCCCC1)c1cccc(F)c1 ZINC000057179257 205155661 /nfs/dbraw/zinc/15/56/61/205155661.db2.gz AHYXZBXYECNNQP-GOSISDBHSA-N 1 0 378.492 2.567 20 0 GFADRO C[C@@H]1C[C@H](C)N(S(=O)(=O)c2ccc(Br)c(F)c2)C[C@@H]1C[NH3+] ZINC000397263495 563531945 /nfs/dbraw/zinc/53/19/45/563531945.db2.gz IGFRSXKAUPSRIY-VWYCJHECSA-N 1 0 379.295 2.582 20 0 GFADRO [NH3+]C[C@@H]1CCCN(C(=O)c2cc(Cl)ccc2I)C1 ZINC000226231180 553060689 /nfs/dbraw/zinc/06/06/89/553060689.db2.gz KNDKLVFJVZSXQN-VIFPVBQESA-N 1 0 378.641 2.756 20 0 GFADRO C[NH+](C)[C@@H]1CCCN(S(=O)(=O)Cc2cccc(Br)c2)CC1 ZINC000287461469 563602294 /nfs/dbraw/zinc/60/22/94/563602294.db2.gz RQBVAEUQZCOGKL-OAHLLOKOSA-N 1 0 375.332 2.695 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)c2cc(I)ccc2O)C1 ZINC000436937849 563685937 /nfs/dbraw/zinc/68/59/37/563685937.db2.gz JQVVBXBTNHVAAO-NWDGAFQWSA-N 1 0 388.249 2.599 20 0 GFADRO COc1cc(C)c(Br)cc1S(=O)(=O)N1CCC([C@@H](C)[NH3+])CC1 ZINC000440354719 563740263 /nfs/dbraw/zinc/74/02/63/563740263.db2.gz LGNIBGADHCISPZ-LLVKDONJSA-N 1 0 391.331 2.514 20 0 GFADRO COCC[N@H+](Cc1cc(=O)n2cc(Br)ccc2n1)C1CCCC1 ZINC000026447471 551121180 /nfs/dbraw/zinc/12/11/80/551121180.db2.gz SLNRZGBVFSADMO-UHFFFAOYSA-N 1 0 380.286 2.848 20 0 GFADRO C[C@@H](NC(=O)c1cccs1)C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000032762325 551132043 /nfs/dbraw/zinc/13/20/43/551132043.db2.gz DXTNDSUUNDDLGN-ZIAGYGMSSA-N 1 0 377.535 2.881 20 0 GFADRO CC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000041925791 551136515 /nfs/dbraw/zinc/13/65/15/551136515.db2.gz NOGXKXMXQBTCDL-ZIAGYGMSSA-N 1 0 396.329 2.649 20 0 GFADRO COCC[N@H+](C)CCCNC(=O)CSc1ccc(Br)cc1C ZINC000041967402 551137121 /nfs/dbraw/zinc/13/71/21/551137121.db2.gz TYRKQNKTYNWAAV-UHFFFAOYSA-N 1 0 389.359 2.934 20 0 GFADRO COCC[N@H+](C)CCCNC(=O)C1(c2ccc(Br)cc2)CCC1 ZINC000041967677 551137221 /nfs/dbraw/zinc/13/72/21/551137221.db2.gz FBNLPRYGRNYCCY-UHFFFAOYSA-N 1 0 383.330 2.955 20 0 GFADRO CC(C)C[C@H](CNC(=O)[C@@H](C)NC(=O)c1ccc(Br)cc1)[NH+](C)C ZINC000042583789 551139793 /nfs/dbraw/zinc/13/97/93/551139793.db2.gz CLXWMYYUCPLYQS-CZUORRHYSA-N 1 0 398.345 2.660 20 0 GFADRO C[C@@H](CNS(=O)(=O)c1ccccc1Br)[N@@H+]1CCC[C@@H](C)C1 ZINC000045745011 551148079 /nfs/dbraw/zinc/14/80/79/551148079.db2.gz APNWDOYRGWXXGS-OLZOCXBDSA-N 1 0 375.332 2.848 20 0 GFADRO CN(CC(=O)NC[C@H](c1cccs1)[NH+]1CCCC1)C(=O)c1cccs1 ZINC000046147536 551149230 /nfs/dbraw/zinc/14/92/30/551149230.db2.gz WRYTZXHMURCBFF-CQSZACIVSA-N 1 0 377.535 2.835 20 0 GFADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)NCc2ccc(Br)s2)C1 ZINC000048093537 551155937 /nfs/dbraw/zinc/15/59/37/551155937.db2.gz QUUTYLJWIYFCFT-GFCCVEGCSA-N 1 0 390.347 2.667 20 0 GFADRO O=S(=O)(NC1CC[NH+](CCOc2cccc(F)c2)CC1)c1cccs1 ZINC000048056702 551156116 /nfs/dbraw/zinc/15/61/16/551156116.db2.gz MCFAZSPVWYCTNW-UHFFFAOYSA-N 1 0 384.498 2.709 20 0 GFADRO C[C@H]1CCCC[N@@H+]1CCCNC(=O)C(=O)Nc1ccccc1Br ZINC000049131508 551158013 /nfs/dbraw/zinc/15/80/13/551158013.db2.gz RCWQAJKFVAKFKP-ZDUSSCGKSA-N 1 0 382.302 2.768 20 0 GFADRO C[C@H]1CCCC[N@@H+]1CCCNC(=O)C(=O)Nc1cccc(Br)c1 ZINC000049131530 551158034 /nfs/dbraw/zinc/15/80/34/551158034.db2.gz TWLLVEQEOUZYSN-ZDUSSCGKSA-N 1 0 382.302 2.768 20 0 GFADRO CN(Cc1csc(Br)c1)C(=O)NCCCC[NH+]1CCOCC1 ZINC000057483935 551180553 /nfs/dbraw/zinc/18/05/53/551180553.db2.gz URKZQZMSYMNEBI-UHFFFAOYSA-N 1 0 390.347 2.764 20 0 GFADRO CC[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2cc(Br)ccc2C)C1 ZINC000063850912 551184473 /nfs/dbraw/zinc/18/44/73/551184473.db2.gz QTHVGWIMVZZXAE-ZDUSSCGKSA-N 1 0 375.332 2.768 20 0 GFADRO CC[C@@H](CO)[NH+]1CCN(Cc2nc(-c3ccc(Br)cc3)c[nH]2)CC1 ZINC000093740155 551195689 /nfs/dbraw/zinc/19/56/89/551195689.db2.gz QPJHBYRRSPFRPE-INIZCTEOSA-N 1 0 393.329 2.728 20 0 GFADRO O=C(c1ccc(I)c(F)c1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000104387832 551198553 /nfs/dbraw/zinc/19/85/53/551198553.db2.gz BJGHOLYGXCISLN-LBPRGKRZSA-N 1 0 388.224 2.741 20 0 GFADRO C[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)N[C@H](C)CN1CC[NH+](C)CC1 ZINC000106553687 551200344 /nfs/dbraw/zinc/20/03/44/551200344.db2.gz UTRREDZUKDZPRO-ZIAGYGMSSA-N 1 0 387.355 2.860 20 0 GFADRO C[C@H](Oc1ccccc1Br)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000112269868 551205685 /nfs/dbraw/zinc/20/56/85/551205685.db2.gz HZWSXPPIUZFZGB-AWEZNQCLSA-N 1 0 390.281 2.960 20 0 GFADRO C[C@H](C[NH+]1CCCCC1)NC(=O)c1cc(=O)c2cc(Br)ccc2[nH]1 ZINC000112629309 551206159 /nfs/dbraw/zinc/20/61/59/551206159.db2.gz ORLDDTFPBVKESR-GFCCVEGCSA-N 1 0 392.297 2.895 20 0 GFADRO C[C@@H](CNC(=O)c1[nH]c2ccccc2c1Br)C[NH+]1CCN(C)CC1 ZINC000114141284 551209288 /nfs/dbraw/zinc/20/92/88/551209288.db2.gz SCFZSSDNHVDJPJ-ZDUSSCGKSA-N 1 0 393.329 2.544 20 0 GFADRO C[N@@H+]1CCCN(C(=O)c2ccccc2NC(=O)CSC(F)(F)F)CC1 ZINC000116325610 551211964 /nfs/dbraw/zinc/21/19/64/551211964.db2.gz MMMCFKDBQJNEQU-UHFFFAOYSA-N 1 0 375.416 2.656 20 0 GFADRO CCn1nccc1C[NH2+]CCCNC(=O)c1cc(OC)ccc1Br ZINC000119156127 551215769 /nfs/dbraw/zinc/21/57/69/551215769.db2.gz VEHXEOPUTBSXEJ-UHFFFAOYSA-N 1 0 395.301 2.584 20 0 GFADRO C[C@H]([NH2+]CCc1ccc(S(N)(=O)=O)cc1)c1ccc(Br)cc1 ZINC000119681244 551218387 /nfs/dbraw/zinc/21/83/87/551218387.db2.gz BMKGJTDCFCDKFY-LBPRGKRZSA-N 1 0 383.311 2.990 20 0 GFADRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)CCn1cc(Br)ccc1=O ZINC000120923790 551222882 /nfs/dbraw/zinc/22/28/82/551222882.db2.gz KXXXNFPZCCAIPQ-HNNXBMFYSA-N 1 0 398.345 2.772 20 0 GFADRO CS(=O)(=O)c1cc(C(=O)N2CCC(CCC[NH+]3CCCC3)CC2)cs1 ZINC000120930536 551223386 /nfs/dbraw/zinc/22/33/86/551223386.db2.gz DBUHIJQMWSDMRR-UHFFFAOYSA-N 1 0 384.567 2.880 20 0 GFADRO Cc1cccc(NC(=O)C(=O)NC[C@H](C)C[NH+]2CCCCC2)c1Br ZINC000120978809 551224339 /nfs/dbraw/zinc/22/43/39/551224339.db2.gz OLMFURGTPBXJBI-ZDUSSCGKSA-N 1 0 396.329 2.934 20 0 GFADRO CC[NH+]1CCC(CCNC(=O)C(=O)Nc2cccc(C)c2Br)CC1 ZINC000121075602 551226725 /nfs/dbraw/zinc/22/67/25/551226725.db2.gz FWRDTXHRBGWSEO-UHFFFAOYSA-N 1 0 396.329 2.934 20 0 GFADRO COc1ccc(Br)cc1C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000121707643 551240093 /nfs/dbraw/zinc/24/00/93/551240093.db2.gz KDXUMHKBXLTLMM-CYBMUJFWSA-N 1 0 397.313 2.688 20 0 GFADRO Cc1ccc(Br)c(NC(=O)C(=O)NC2CC[NH+](C(C)C)CC2)c1 ZINC000121785770 551242879 /nfs/dbraw/zinc/24/28/79/551242879.db2.gz JZEHIBOTHXNOHR-UHFFFAOYSA-N 1 0 382.302 2.685 20 0 GFADRO COc1cc(CNC[C@@H]2C[NH2+]CCCO2)cc(Br)c1OC(F)F ZINC000415048798 563757933 /nfs/dbraw/zinc/75/79/33/563757933.db2.gz XJLQDKSLBOJMGW-NSHDSACASA-N 1 0 395.244 2.527 20 0 GFADRO C[NH+](C)Cc1ccc(CNC(=O)C(=O)Nc2ccc(Br)cc2)cc1 ZINC000122205614 551295596 /nfs/dbraw/zinc/29/55/96/551295596.db2.gz IMOPZVDSCDXTFF-UHFFFAOYSA-N 1 0 390.281 2.766 20 0 GFADRO Cc1cccc(-c2n[nH]cc2C[NH2+]CCNS(=O)(=O)c2cccs2)c1 ZINC000122209895 551295815 /nfs/dbraw/zinc/29/58/15/551295815.db2.gz XXDZSVAPCSKGGA-UHFFFAOYSA-N 1 0 376.507 2.515 20 0 GFADRO O=S(=O)(NCC[NH2+]Cc1ccc(Br)c(F)c1)c1cccs1 ZINC000122263119 551296814 /nfs/dbraw/zinc/29/68/14/551296814.db2.gz HNOJCLYYXDIMDL-UHFFFAOYSA-N 1 0 393.303 2.718 20 0 GFADRO C[NH+](C)C[C@@H]1CCN(C(=O)c2cc(I)ccc2Cl)C1 ZINC000123124930 551302955 /nfs/dbraw/zinc/30/29/55/551302955.db2.gz PFJTWOHUGZBAHL-JTQLQIEISA-N 1 0 392.668 2.968 20 0 GFADRO C[C@@H]1C[C@H](N(C)C(=O)c2ccc(S(=O)(=O)C(F)(F)F)cc2)CC[N@@H+]1C ZINC000123320074 551305183 /nfs/dbraw/zinc/30/51/83/551305183.db2.gz AMADUGJXLWKRMC-DGCLKSJQSA-N 1 0 378.416 2.535 20 0 GFADRO Cc1ccc(NC(=O)C(=O)NCC[N@H+]2CCC[C@@H](C)C2)cc1Br ZINC000123856238 551309039 /nfs/dbraw/zinc/30/90/39/551309039.db2.gz UOPAUIVJDGKEPE-GFCCVEGCSA-N 1 0 382.302 2.544 20 0 GFADRO C[NH2+]CCC1CCN(C(=O)c2csc(I)c2)CC1 ZINC000124227607 551312426 /nfs/dbraw/zinc/31/24/26/551312426.db2.gz NPXNLUNVHQZCCV-UHFFFAOYSA-N 1 0 378.279 2.814 20 0 GFADRO O=C(NCCCC[NH+]1CCOCC1)c1cc2c(cccc2Br)[nH]1 ZINC000124660579 551316190 /nfs/dbraw/zinc/31/61/90/551316190.db2.gz DNYQIBZIPAVLKZ-UHFFFAOYSA-N 1 0 380.286 2.773 20 0 GFADRO C[C@@H]1C[C@@H](N(C)C(=O)Cc2ccccc2I)CC[N@@H+]1C ZINC000124887179 551318460 /nfs/dbraw/zinc/31/84/60/551318460.db2.gz HQENBBZRNDEFOP-OCCSQVGLSA-N 1 0 386.277 2.775 20 0 GFADRO O=C(C[NH+]1CCC(COc2cc(Cl)cc(Cl)c2)CC1)N1CCNC1=O ZINC000125665065 551322547 /nfs/dbraw/zinc/32/25/47/551322547.db2.gz OXOMALXJEMTXPP-UHFFFAOYSA-N 1 0 386.279 2.636 20 0 GFADRO C[C@@H](CNC(=O)C(=O)Nc1ccc(C(F)(F)F)cc1Cl)[N@H+](C)C1CC1 ZINC000126470235 551330355 /nfs/dbraw/zinc/33/03/55/551330355.db2.gz ONALEGNZGDDKEX-VIFPVBQESA-N 1 0 377.794 2.896 20 0 GFADRO CN(CC(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1)[C@@H]1CCSC1 ZINC000126516383 551330972 /nfs/dbraw/zinc/33/09/72/551330972.db2.gz BOIXIRUHOXPINF-GOSISDBHSA-N 1 0 379.595 2.654 20 0 GFADRO COc1ccc([C@@H](CNC(=O)CSc2nncs2)[NH+]2CCCC2)cc1 ZINC000126706857 551331863 /nfs/dbraw/zinc/33/18/63/551331863.db2.gz OMSLCGIMXINVMT-OAHLLOKOSA-N 1 0 378.523 2.592 20 0 GFADRO COc1ccc(I)c(NC(=O)N(C)[C@@H](C[NH3+])C2CC2)c1 ZINC000415080946 563758826 /nfs/dbraw/zinc/75/88/26/563758826.db2.gz ZHVNGYVPHBXSHO-ZDUSSCGKSA-N 1 0 389.237 2.501 20 0 GFADRO O=C(c1ccccc1I)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000128094481 551346725 /nfs/dbraw/zinc/34/67/25/551346725.db2.gz MEGKTSVVJUQVFS-ZDUSSCGKSA-N 1 0 384.261 2.849 20 0 GFADRO O=C(NC[C@@H]1CCC[NH2+]C1)[C@@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1 ZINC000130116116 551362273 /nfs/dbraw/zinc/36/22/73/551362273.db2.gz CYDXDEUOXUTUCS-WBMJQRKESA-N 1 0 384.307 2.714 20 0 GFADRO O=C(NCCCC[N@H+]1CCC[C@H]1CO)C1(c2ccc(Br)cc2)CC1 ZINC000131270688 551373467 /nfs/dbraw/zinc/37/34/67/551373467.db2.gz ULHGBFBQSQBXLQ-KRWDZBQOSA-N 1 0 395.341 2.834 20 0 GFADRO CC[C@H](C)[N@H+](C)CCNC(=O)c1ccnc(Cl)c1I ZINC000131275651 551373591 /nfs/dbraw/zinc/37/35/91/551373591.db2.gz ZBLAYACMOABAOR-VIFPVBQESA-N 1 0 395.672 2.800 20 0 GFADRO CCc1nc(C(=O)N2CCC[C@@H]([NH2+]C)C2)nn1-c1c(Cl)cccc1Cl ZINC000133103965 551381648 /nfs/dbraw/zinc/38/16/48/551381648.db2.gz XYRYRBNSHGKABQ-LLVKDONJSA-N 1 0 382.295 2.961 20 0 GFADRO COCC[NH+]1CCC(NC(=O)c2cc(Br)ccc2Cl)CC1 ZINC000141557643 551394274 /nfs/dbraw/zinc/39/42/74/551394274.db2.gz URBRNOKTKNZQOK-UHFFFAOYSA-N 1 0 375.694 2.943 20 0 GFADRO C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000148928995 551398421 /nfs/dbraw/zinc/39/84/21/551398421.db2.gz NIRIEBZPZMWTBV-LBPRGKRZSA-N 1 0 384.307 2.808 20 0 GFADRO C[C@@H](NC(=O)N1CC[NH+](CC(C)(C)O)CC1)c1ccccc1Br ZINC000151140178 551408252 /nfs/dbraw/zinc/40/82/52/551408252.db2.gz KSSDJORJNOYOGT-CYBMUJFWSA-N 1 0 384.318 2.608 20 0 GFADRO O[C@@H](COc1ccc(Cl)cc1Cl)CN1CCN(c2cc[nH+]cc2)CC1 ZINC000151298740 551410877 /nfs/dbraw/zinc/41/08/77/551410877.db2.gz OWIZUIMVPHJCPL-MRXNPFEDSA-N 1 0 382.291 2.950 20 0 GFADRO C[C@@H](C(=O)Nc1ccccc1Br)N1CCN(c2cc[nH+]cc2)CC1 ZINC000151338826 551411820 /nfs/dbraw/zinc/41/18/20/551411820.db2.gz HMDWEAHWYPVKPE-AWEZNQCLSA-N 1 0 389.297 2.993 20 0 GFADRO COC1CC[NH+](CCNS(=O)(=O)Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000151722411 551419938 /nfs/dbraw/zinc/41/99/38/551419938.db2.gz CLAQSUUESAQPFA-UHFFFAOYSA-N 1 0 381.325 2.524 20 0 GFADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)Nc2cc(Cl)cc(Cl)c2)CC1 ZINC000151733114 551420265 /nfs/dbraw/zinc/42/02/65/551420265.db2.gz JYOSXSUPUWCENZ-HNNXBMFYSA-N 1 0 385.295 2.764 20 0 GFADRO O=C(NCC1CC[NH+](CCO)CC1)Nc1ccc(Cl)c(Br)c1 ZINC000151762633 551420580 /nfs/dbraw/zinc/42/05/80/551420580.db2.gz MPFOCPXGLHEPRC-UHFFFAOYSA-N 1 0 390.709 2.928 20 0 GFADRO C[NH+](C)CC1CCC(NS(=O)(=O)c2cc(Br)ccc2F)CC1 ZINC000151812950 551421482 /nfs/dbraw/zinc/42/14/82/551421482.db2.gz JFZHPNPKBHYYRI-UHFFFAOYSA-N 1 0 393.322 2.987 20 0 GFADRO COc1cccc(Br)c1OCC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000152127055 551426244 /nfs/dbraw/zinc/42/62/44/551426244.db2.gz WRZQLRCSQJTUJD-UHFFFAOYSA-N 1 0 383.286 2.580 20 0 GFADRO CC[N@H+](CCNC(=O)c1ccc(F)c(I)c1)C1CC1 ZINC000152171924 551428037 /nfs/dbraw/zinc/42/80/37/551428037.db2.gz VKSPVWVGEKICMI-UHFFFAOYSA-N 1 0 376.213 2.644 20 0 GFADRO Cn1nc(Br)c2c1ncnc2N1CC[NH+](C2CCCCC2)CC1 ZINC000152437800 551433083 /nfs/dbraw/zinc/43/30/83/551433083.db2.gz OXOTVAIDXHPXMA-UHFFFAOYSA-N 1 0 379.306 2.581 20 0 GFADRO CN(CC(=O)N(C)Cc1cc(Br)cs1)C[C@H]1CCC[N@H+](C)C1 ZINC000152453084 551433214 /nfs/dbraw/zinc/43/32/14/551433214.db2.gz OVGCQXXJCJDJMT-ZDUSSCGKSA-N 1 0 388.375 2.743 20 0 GFADRO CSCCN(C)[C@@H](C)C(=O)Nc1cccc(I)c1 ZINC000152498148 551434123 /nfs/dbraw/zinc/43/41/23/551434123.db2.gz INJHCFOLCVMRQV-JTQLQIEISA-N 1 0 378.279 2.913 20 0 GFADRO CN(Cc1cc(Br)cs1)C(=O)C[N@H+](CCCCO)C1CC1 ZINC000152548438 551435305 /nfs/dbraw/zinc/43/53/05/551435305.db2.gz AKZALVLGTWOYNK-UHFFFAOYSA-N 1 0 375.332 2.706 20 0 GFADRO COC(=O)c1cccc(CC[NH2+][C@H](C(N)=O)c2ccc(Br)cc2)c1 ZINC000152695992 551438127 /nfs/dbraw/zinc/43/81/27/551438127.db2.gz LPEVJMZSCZKAMO-INIZCTEOSA-N 1 0 391.265 2.594 20 0 GFADRO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)CN1CCC[C@@H]1C[C@H](C)O ZINC000152991908 551444137 /nfs/dbraw/zinc/44/41/37/551444137.db2.gz DWCOHOSPQRIELQ-CMPLNLGQSA-N 1 0 389.279 2.954 20 0 GFADRO Cc1ccc(Br)c(C(=O)N2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)c1 ZINC000153263481 551449400 /nfs/dbraw/zinc/44/94/00/551449400.db2.gz IIVKAPYRSNAQDS-INIZCTEOSA-N 1 0 394.357 3.000 20 0 GFADRO CC[N@H+](CCNC(=O)C(=O)Nc1ccc(Br)c(Cl)c1)C1CC1 ZINC000153265131 551449706 /nfs/dbraw/zinc/44/97/06/551449706.db2.gz NFGWXSWTPOWHSN-UHFFFAOYSA-N 1 0 388.693 2.642 20 0 GFADRO C[C@H]1CN(C(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CCCC2)C[C@H](C)[NH2+]1 ZINC000153337380 551450670 /nfs/dbraw/zinc/45/06/70/551450670.db2.gz JXTSZLANMAWSPI-KBPBESRZSA-N 1 0 384.929 2.635 20 0 GFADRO Cc1ccc(Br)c(NC(=O)C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000153634026 551457221 /nfs/dbraw/zinc/45/72/21/551457221.db2.gz VLXLGAAQLDILOU-CQSZACIVSA-N 1 0 394.313 2.640 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1ccc(Br)cc1-n1cncn1 ZINC000153673927 551458081 /nfs/dbraw/zinc/45/80/81/551458081.db2.gz KHQIQFUSXPYZHQ-CYBMUJFWSA-N 1 0 392.301 2.634 20 0 GFADRO C[C@@H]1CN(C(=O)[C@@H]2CCCN2C(=O)c2ccc(Cl)c(Cl)c2)C[C@H](C)[NH2+]1 ZINC000154045868 551466490 /nfs/dbraw/zinc/46/64/90/551466490.db2.gz UUMOJDJQLAZSIG-OZVIIMIRSA-N 1 0 384.307 2.807 20 0 GFADRO NC(=O)C[C@H]1CCC[N@H+](Cc2ccnc(-c3ccc(Br)cc3)n2)C1 ZINC000154394726 551474285 /nfs/dbraw/zinc/47/42/85/551474285.db2.gz GHPVQHNLZOGPKT-CYBMUJFWSA-N 1 0 389.297 2.994 20 0 GFADRO C[N@H+](CC(=O)N1CCO[C@@H](c2ccc(Br)cc2)C1)[C@@H]1CCSC1 ZINC000154976371 551487489 /nfs/dbraw/zinc/48/74/89/551487489.db2.gz UZIVEWYKFKUUBF-HZPDHXFCSA-N 1 0 399.354 2.786 20 0 GFADRO CC[NH+]1CCN(CCC(=O)N[C@@H](C)Cc2ccccc2Br)CC1 ZINC000155075458 551490806 /nfs/dbraw/zinc/49/08/06/551490806.db2.gz FQEFGXSTNVSQRH-HNNXBMFYSA-N 1 0 382.346 2.524 20 0 GFADRO O=C(Nc1ccc(Br)cc1)C1CC[NH+](CCN2CCCC2=O)CC1 ZINC000155160491 551493134 /nfs/dbraw/zinc/49/31/34/551493134.db2.gz ZNPNZLGIBTWEQX-UHFFFAOYSA-N 1 0 394.313 2.722 20 0 GFADRO Cc1ccc(C[NH+](C)C)cc1NC(=O)CNC(=O)c1ccc(Br)o1 ZINC000155192482 551494153 /nfs/dbraw/zinc/49/41/53/551494153.db2.gz LNFRPUYRYOJVJW-UHFFFAOYSA-N 1 0 394.269 2.781 20 0 GFADRO Cc1ccc(Br)c(C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)c1 ZINC000155530007 551501892 /nfs/dbraw/zinc/50/18/92/551501892.db2.gz DFZYTMHLQRHLNU-CQSZACIVSA-N 1 0 381.314 2.988 20 0 GFADRO C[N@@H+]1CC[C@H](CNC(=O)CNCC(F)(F)F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000155598145 551503302 /nfs/dbraw/zinc/50/33/02/551503302.db2.gz ZEJQJPGDRHMVQG-ABAIWWIYSA-N 1 0 381.801 2.740 20 0 GFADRO Ic1ccc2c(c1)[C@H]([NH2+]CCn1ccnc1)CCCO2 ZINC000155695263 551505727 /nfs/dbraw/zinc/50/57/27/551505727.db2.gz RMJIXCYSMVSNAY-CQSZACIVSA-N 1 0 383.233 2.991 20 0 GFADRO CC1CC[NH+](CCNC(=O)c2cc(=O)[nH]c3ccc(Br)cc32)CC1 ZINC000156173130 551516563 /nfs/dbraw/zinc/51/65/63/551516563.db2.gz SOMATCBYYONWEM-UHFFFAOYSA-N 1 0 392.297 2.752 20 0 GFADRO CC[NH+](CC)CCCNC(=O)c1ccc(OC)cc1I ZINC000156216548 551517768 /nfs/dbraw/zinc/51/77/68/551517768.db2.gz NMVIRBQEQGNJTK-UHFFFAOYSA-N 1 0 390.265 2.762 20 0 GFADRO O[C@H](C[NH2+]Cc1ccc(Br)c(F)c1)COc1ccc2c(c1)OCO2 ZINC000156354631 551521054 /nfs/dbraw/zinc/52/10/54/551521054.db2.gz PDJHOVCBGDBOBJ-GFCCVEGCSA-N 1 0 398.228 2.846 20 0 GFADRO Cc1cccc(S(=O)(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c1Br ZINC000156868345 551529230 /nfs/dbraw/zinc/52/92/30/551529230.db2.gz BIGXBPGNXLLFIO-KGLIPLIRSA-N 1 0 387.343 2.862 20 0 GFADRO O=C(Nc1ccc(Br)cc1)C1CCN(C(=O)[C@H]2CCC[NH2+]C2)CC1 ZINC000157052905 551532816 /nfs/dbraw/zinc/53/28/16/551532816.db2.gz ZTVARPZEQLSSSS-AWEZNQCLSA-N 1 0 394.313 2.626 20 0 GFADRO CC[NH+](CC)CCCNC(=O)NCC(=O)Nc1cc(Br)ccc1C ZINC000157228002 551535349 /nfs/dbraw/zinc/53/53/49/551535349.db2.gz GEUWHRODAREOSA-UHFFFAOYSA-N 1 0 399.333 2.727 20 0 GFADRO COC1(C(=O)NC[C@H](C)Sc2ccc(Br)cc2)CC[NH2+]CC1 ZINC000157562322 551539302 /nfs/dbraw/zinc/53/93/02/551539302.db2.gz FBNUQCAGXMJPDL-LBPRGKRZSA-N 1 0 387.343 2.815 20 0 GFADRO CC(C)N(CC[NH+](C)C)C(=O)NCc1cn2cc(Br)ccc2n1 ZINC000157920199 551544370 /nfs/dbraw/zinc/54/43/70/551544370.db2.gz YBBOUJQHLNXXIS-UHFFFAOYSA-N 1 0 382.306 2.578 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000158069244 551546814 /nfs/dbraw/zinc/54/68/14/551546814.db2.gz HVTVQCBYHHRTRO-UHFFFAOYSA-N 1 0 396.329 2.933 20 0 GFADRO CN(CC[NH2+]Cc1cnc(-c2ccccn2)s1)S(=O)(=O)c1cccs1 ZINC000158263095 551549079 /nfs/dbraw/zinc/54/90/79/551549079.db2.gz BZNHJMJSHSDKFM-UHFFFAOYSA-N 1 0 394.547 2.677 20 0 GFADRO COc1ccc(CNC(=O)N2CC[N@H+](C)C[C@H]2C(C)C)cc1Br ZINC000158509911 551552800 /nfs/dbraw/zinc/55/28/00/551552800.db2.gz PSKBZMJBJJJHBP-HNNXBMFYSA-N 1 0 384.318 2.939 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH+]1CCC(C(N)=O)CC1 ZINC000158596093 551554609 /nfs/dbraw/zinc/55/46/09/551554609.db2.gz HOVHJARLDKDDKE-UHFFFAOYSA-N 1 0 391.313 2.949 20 0 GFADRO C[N@H+](CCNC(=O)c1cc(=O)[nH]c2ccc(Br)cc21)C1CCCC1 ZINC000159086283 551560636 /nfs/dbraw/zinc/56/06/36/551560636.db2.gz KWLDXKRNJCHXAJ-UHFFFAOYSA-N 1 0 392.297 2.895 20 0 GFADRO NC(=O)[C@@H]([NH2+]CCc1ccc2c(c1)OCO2)c1cccc(Br)c1 ZINC000161840503 551599479 /nfs/dbraw/zinc/59/94/79/551599479.db2.gz OEMPVBNBZZSRIY-INIZCTEOSA-N 1 0 377.238 2.537 20 0 GFADRO Cc1cc(C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)nn1-c1ccc(Br)cc1 ZINC000162087143 551603107 /nfs/dbraw/zinc/60/31/07/551603107.db2.gz HSWWOQWOUCPMRW-KGLIPLIRSA-N 1 0 377.286 2.943 20 0 GFADRO NC(=O)[C@H](N[C@@H]1CC[N@H+](CC2CCCC2)C1)c1cccc(Br)c1 ZINC000162188632 551604796 /nfs/dbraw/zinc/60/47/96/551604796.db2.gz GBGRWLYKIZHZGV-IAGOWNOFSA-N 1 0 380.330 2.830 20 0 GFADRO Cc1nc(C(C)(C)C)sc1[C@@H](C)[NH2+]CCNS(=O)(=O)Cc1ccon1 ZINC000162405788 551608037 /nfs/dbraw/zinc/60/80/37/551608037.db2.gz ZMUGDCFZICHBAH-LLVKDONJSA-N 1 0 386.543 2.507 20 0 GFADRO COCC[NH2+]CC(=O)Nc1ccc(Cl)c(C(=O)NCc2cccs2)c1 ZINC000162485305 551609038 /nfs/dbraw/zinc/60/90/38/551609038.db2.gz KFZNIAPHJUCHOA-UHFFFAOYSA-N 1 0 381.885 2.506 20 0 GFADRO CC[NH+](CC)CC(=O)NC1CCN(Cc2ccc(Br)cc2)CC1 ZINC000162669225 551611284 /nfs/dbraw/zinc/61/12/84/551611284.db2.gz DUJPEVGKUBIVGQ-UHFFFAOYSA-N 1 0 382.346 2.872 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)c2csc(S(C)(=O)=O)c2)C1 ZINC000162821226 551613137 /nfs/dbraw/zinc/61/31/37/551613137.db2.gz UNPWQPKTSBLWPV-CABCVRRESA-N 1 0 384.567 2.878 20 0 GFADRO C[C@@H]([NH2+]Cc1nnnn1-c1ccc(Cl)cc1C(F)(F)F)[C@H]1CCOC1 ZINC000163068027 551615753 /nfs/dbraw/zinc/61/57/53/551615753.db2.gz KUTLIKYCWSXEFF-ZJUUUORDSA-N 1 0 375.782 2.849 20 0 GFADRO CC[N@@H+]1CCCN(C(=O)C(=O)Nc2ccc(Cl)cc2Br)CC1 ZINC000163261840 551618230 /nfs/dbraw/zinc/61/82/30/551618230.db2.gz RSEKGBSWPZXZJN-UHFFFAOYSA-N 1 0 388.693 2.595 20 0 GFADRO CCC[N@H+](CC)CCNS(=O)(=O)c1cc(N(C)C)ccc1Br ZINC000164141212 551623945 /nfs/dbraw/zinc/62/39/45/551623945.db2.gz UGOZNESGIIIMFX-UHFFFAOYSA-N 1 0 392.363 2.525 20 0 GFADRO CCN1CC[NH+](C[C@H](C)CNC(=O)c2ccc(C)cc2Br)CC1 ZINC000169173738 551634711 /nfs/dbraw/zinc/63/47/11/551634711.db2.gz SURNWQBJOJUJMX-OAHLLOKOSA-N 1 0 382.346 2.761 20 0 GFADRO CN(Cc1ccccc1Br)C(=O)CN1CC[C@H]([NH+]2CCCC2)C1 ZINC000170746402 551638698 /nfs/dbraw/zinc/63/86/98/551638698.db2.gz XAZTWHOHHSZZIX-INIZCTEOSA-N 1 0 380.330 2.578 20 0 GFADRO C[C@H]1C[N@H+](C[C@H](O)COc2ccc(Cl)cc2Br)CCCO1 ZINC000170764152 551639147 /nfs/dbraw/zinc/63/91/47/551639147.db2.gz YWXYBHJCNSXLSL-AAEUAGOBSA-N 1 0 378.694 2.953 20 0 GFADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc2cc(Br)ccc2[nH]1 ZINC000170808882 551640513 /nfs/dbraw/zinc/64/05/13/551640513.db2.gz STVMVNVZWADWCE-CQSZACIVSA-N 1 0 380.286 2.771 20 0 GFADRO CC[NH+](CC)CCCNC(=O)Cc1cc2c(cc1Br)OCCO2 ZINC000171313421 551652625 /nfs/dbraw/zinc/65/26/25/551652625.db2.gz XCNMSPVKBHEKLV-UHFFFAOYSA-N 1 0 385.302 2.611 20 0 GFADRO COc1cc(Br)cc(C)c1NC(=O)N[C@H](C)CN1CC[NH+](C)CC1 ZINC000171686179 551661027 /nfs/dbraw/zinc/66/10/27/551661027.db2.gz APVJWJBWWQQCEH-CYBMUJFWSA-N 1 0 399.333 2.524 20 0 GFADRO C[C@H]1Cc2cc(S(=O)(=O)NC3CC[NH+](CC4CC4)CC3)cc(Cl)c2O1 ZINC000172448286 551679350 /nfs/dbraw/zinc/67/93/50/551679350.db2.gz KAHWAHTZGAEMQS-LBPRGKRZSA-N 1 0 384.929 2.816 20 0 GFADRO O=C(Cc1cccc(Br)c1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000172459442 551679493 /nfs/dbraw/zinc/67/94/93/551679493.db2.gz AMAAPYMJEBMSGJ-UHFFFAOYSA-N 1 0 381.314 2.562 20 0 GFADRO O=C(COc1cc(Cl)ccc1Cl)N1CC[NH+](CC2CCOCC2)CC1 ZINC000172458856 551679510 /nfs/dbraw/zinc/67/95/10/551679510.db2.gz FEDZQKYHMRHEDP-UHFFFAOYSA-N 1 0 387.307 2.943 20 0 GFADRO CC[NH+](CC)CCSCC(=O)N[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000172805788 551686884 /nfs/dbraw/zinc/68/68/84/551686884.db2.gz GFBXJMFZXGOEQQ-HNNXBMFYSA-N 1 0 383.945 2.637 20 0 GFADRO NS(=O)(=O)CCC[NH+]1CCC(COc2cc(Cl)cc(Cl)c2)CC1 ZINC000172895311 551689620 /nfs/dbraw/zinc/68/96/20/551689620.db2.gz MZKIGFOOQQZHNA-UHFFFAOYSA-N 1 0 381.325 2.763 20 0 GFADRO O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)c1c[nH]c(=O)c(Br)c1 ZINC000172982461 551691624 /nfs/dbraw/zinc/69/16/24/551691624.db2.gz NJMLNTYODZEDCH-ZDUSSCGKSA-N 1 0 396.310 2.766 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)Nc2ccc(Cl)c(Br)c2)C1 ZINC000415436969 563775635 /nfs/dbraw/zinc/77/56/35/563775635.db2.gz KIAHLBWBBWQCDC-ZJUUUORDSA-N 1 0 388.693 2.627 20 0 GFADRO C[C@@H](Cn1cc(Br)cn1)[NH2+]Cc1ccncc1OCC(F)F ZINC000442863978 563782469 /nfs/dbraw/zinc/78/24/69/563782469.db2.gz BGPPAXDMBPHGEZ-JTQLQIEISA-N 1 0 375.217 2.863 20 0 GFADRO O=C(c1c[nH]c(=O)c(Br)c1)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000173200298 552079208 /nfs/dbraw/zinc/07/92/08/552079208.db2.gz KPJXVESKOKTOBB-UHFFFAOYSA-N 1 0 396.329 2.866 20 0 GFADRO CC[N@H+](C)C[C@H]1CCN(S(=O)(=O)c2ccc(F)c(Br)c2)C1 ZINC000173204999 552079763 /nfs/dbraw/zinc/07/97/63/552079763.db2.gz MWCYTLGWKGFNHZ-LLVKDONJSA-N 1 0 379.295 2.551 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)Nc1nc(-c2cccs2)cs1 ZINC000173223385 552080266 /nfs/dbraw/zinc/08/02/66/552080266.db2.gz DIHZDRDAXGWOCY-GFCCVEGCSA-N 1 0 378.523 2.801 20 0 GFADRO C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)C(=O)Nc1cc(Br)ccc1F)C2 ZINC000173462095 552085587 /nfs/dbraw/zinc/08/55/87/552085587.db2.gz CDZOMXQFWYVZBJ-YHWZYXNKSA-N 1 0 398.276 2.658 20 0 GFADRO C[C@@H](CNC(=O)NCCSc1ccc(Cl)cc1)C[NH+]1CCN(C)CC1 ZINC000173500486 552086567 /nfs/dbraw/zinc/08/65/67/552086567.db2.gz AJRBDIWXQRZQDH-HNNXBMFYSA-N 1 0 384.977 2.615 20 0 GFADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2cccc(Br)c2)C1 ZINC000173643764 552089901 /nfs/dbraw/zinc/08/99/01/552089901.db2.gz AYXUKOHQOQSTOD-ZDUSSCGKSA-N 1 0 382.302 2.578 20 0 GFADRO CC[N@H+](C)C[C@H]1CCN(S(=O)(=O)c2cc(Cl)c(OC)cc2Cl)C1 ZINC000174025722 552096738 /nfs/dbraw/zinc/09/67/38/552096738.db2.gz CBCSSHHLJFHRGT-LLVKDONJSA-N 1 0 381.325 2.964 20 0 GFADRO CC[N@H+](C)C[C@H]1CCN(S(=O)(=O)c2cc(Br)c(F)cc2F)C1 ZINC000174028426 552097378 /nfs/dbraw/zinc/09/73/78/552097378.db2.gz VBQUWQJYUXQWQW-SNVBAGLBSA-N 1 0 397.285 2.690 20 0 GFADRO C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000174185827 552101822 /nfs/dbraw/zinc/10/18/22/552101822.db2.gz DRPOZPRPQSTITR-UONOGXRCSA-N 1 0 387.307 2.941 20 0 GFADRO CCS[C@@H]1CC[C@@H]([N@H+](C)CCOc2ccc(S(=O)(=O)N(C)C)cc2)C1 ZINC000174350640 552102923 /nfs/dbraw/zinc/10/29/23/552102923.db2.gz UOYOLPKZENAPLN-NVXWUHKLSA-N 1 0 386.583 2.922 20 0 GFADRO Cc1ccc(C(=O)N2CC[C@@H]3CC[C@H](C2)[N@@H+]3C)cc1I ZINC000174665709 552108050 /nfs/dbraw/zinc/10/80/50/552108050.db2.gz JCVSAVNRPQURPL-UONOGXRCSA-N 1 0 384.261 2.908 20 0 GFADRO CC(=O)Nc1cc(F)c(S(=O)(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)cc1Cl ZINC000175085642 552115156 /nfs/dbraw/zinc/11/51/56/552115156.db2.gz CRUJIDCGLARLHJ-RYUDHWBXSA-N 1 0 391.896 2.589 20 0 GFADRO CN(Cc1ccc([S@](C)=O)cc1)C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000175545956 552124610 /nfs/dbraw/zinc/12/46/10/552124610.db2.gz ZMKZBVGCEZASEV-LMKMVOKYSA-N 1 0 379.551 2.930 20 0 GFADRO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NCCOc1ccc(Br)cc1 ZINC000175759369 552128747 /nfs/dbraw/zinc/12/87/47/552128747.db2.gz SKUUTTDEWSVBGB-QGZVFWFLSA-N 1 0 399.329 2.737 20 0 GFADRO O=S(=O)(NCC[N@H+]1CCC[C@@H]1C[C@H](O)c1cccs1)c1ccccc1 ZINC000175820956 552129847 /nfs/dbraw/zinc/12/98/47/552129847.db2.gz WSYJBJVRFDGFJD-WBVHZDCISA-N 1 0 380.535 2.615 20 0 GFADRO O=C(/C=C/c1ccccc1Br)N1CC[NH+](C2CCOCC2)CC1 ZINC000175861203 552130448 /nfs/dbraw/zinc/13/04/48/552130448.db2.gz CGOXOESVBDZYQX-AATRIKPKSA-N 1 0 379.298 2.786 20 0 GFADRO CC(C)(C)[NH+]1CCC(NC(=O)C(=O)Nc2cccc(Br)c2)CC1 ZINC000175946641 552132604 /nfs/dbraw/zinc/13/26/04/552132604.db2.gz VJONQNBWGHOFFH-UHFFFAOYSA-N 1 0 382.302 2.767 20 0 GFADRO CCOC[C@H]1CC[N@H+](CC(=O)N(C)Cc2cc(Br)cs2)C1 ZINC000176337245 552138884 /nfs/dbraw/zinc/13/88/84/552138884.db2.gz HKFXBNFWHCZWIM-LBPRGKRZSA-N 1 0 375.332 2.827 20 0 GFADRO CN(CC[NH+](C)C)C(=O)CCc1nc(-c2cc(Br)cs2)no1 ZINC000176389634 552139983 /nfs/dbraw/zinc/13/99/83/552139983.db2.gz RCQCFAOCUKEVJN-UHFFFAOYSA-N 1 0 387.303 2.513 20 0 GFADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)COc1ccc(C=O)cc1Br ZINC000176553217 552141348 /nfs/dbraw/zinc/14/13/48/552141348.db2.gz XXDBJQKOUUDTOM-CABCVRRESA-N 1 0 395.297 2.726 20 0 GFADRO C[N@@H+](Cc1ccccc1OC(F)(F)F)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000176627214 552142694 /nfs/dbraw/zinc/14/26/94/552142694.db2.gz FSMSJEWQXOYZBJ-ZDUSSCGKSA-N 1 0 380.432 2.689 20 0 GFADRO C[C@@H]([NH2+]CCc1ccsc1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000177727949 552158239 /nfs/dbraw/zinc/15/82/39/552158239.db2.gz CKVHWWJUADFGDA-OAHLLOKOSA-N 1 0 380.535 2.662 20 0 GFADRO C[C@H](C[NH+]1CCCCC1)NC(=O)N[C@@H](CO)c1cccc(Br)c1 ZINC000177933398 552161047 /nfs/dbraw/zinc/16/10/47/552161047.db2.gz RYRLYZGETILYDA-CJNGLKHVSA-N 1 0 384.318 2.656 20 0 GFADRO Cn1cc(Br)cc(NC(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)c1=O ZINC000177972262 552161758 /nfs/dbraw/zinc/16/17/58/552161758.db2.gz FRXJNHUGYIQMCC-AWEZNQCLSA-N 1 0 397.317 2.534 20 0 GFADRO Cn1cc(Br)cc(NC(=O)NC[C@@H](c2cccs2)[NH+](C)C)c1=O ZINC000177978690 552162163 /nfs/dbraw/zinc/16/21/63/552162163.db2.gz ZVDCCSKLPQQWMN-LBPRGKRZSA-N 1 0 399.314 2.634 20 0 GFADRO O=C(N1CC[NH+](C[C@H]2CCOC2)CC1)C1(c2ccc(Br)cc2)CC1 ZINC000178101544 552164104 /nfs/dbraw/zinc/16/41/04/552164104.db2.gz CUJHWOIBRWHJNK-OAHLLOKOSA-N 1 0 393.325 2.661 20 0 GFADRO O=C(CCc1cc(Br)cs1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000178111630 552164332 /nfs/dbraw/zinc/16/43/32/552164332.db2.gz QGFLVMJWLJTFSI-CYBMUJFWSA-N 1 0 387.343 2.624 20 0 GFADRO Cc1[nH]c(=S)sc1CC(=O)NC1CCN(c2cc(C)nc(C)n2)CC1 ZINC000178178265 552166560 /nfs/dbraw/zinc/16/65/60/552166560.db2.gz RMGTVUGEHJZBLN-UHFFFAOYSA-N 1 0 377.539 2.849 20 0 GFADRO C[C@@H](Cn1cc(Br)cn1)[NH2+]CCCc1nnc2n1CCCCC2 ZINC000178526257 552171878 /nfs/dbraw/zinc/17/18/78/552171878.db2.gz ZTSCRXDHZQAPJQ-ZDUSSCGKSA-N 1 0 381.322 2.574 20 0 GFADRO CC(=O)N[C@@H](CC(=O)N1CCC([C@H](C)[NH3+])CC1)c1ccc(Br)cc1 ZINC000178858888 552177542 /nfs/dbraw/zinc/17/75/42/552177542.db2.gz ITOIXTFYCGWMBP-SJCJKPOMSA-N 1 0 396.329 2.602 20 0 GFADRO O=C(NCCC[NH+]1CCC(O)CC1)c1cc(Cl)cc(Br)c1 ZINC000178880841 552178288 /nfs/dbraw/zinc/17/82/88/552178288.db2.gz AEWRAKWBDUWROV-UHFFFAOYSA-N 1 0 375.694 2.679 20 0 GFADRO CCOc1cc(Br)c(CC(=O)NCC[C@@H]2CC[NH2+]C2)cc1OCC ZINC000178940879 552180347 /nfs/dbraw/zinc/18/03/47/552180347.db2.gz UVFVDXKEHHMEAU-ZDUSSCGKSA-N 1 0 399.329 2.905 20 0 GFADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)NC(C)(C)c1ccccc1Br ZINC000178972019 552181178 /nfs/dbraw/zinc/18/11/78/552181178.db2.gz VLQRWLPIHMCYGT-AWEZNQCLSA-N 1 0 397.361 2.619 20 0 GFADRO CC(C)[C@@H](C[NH2+][C@@H](C)c1ncc(Br)s1)N1CCN(C)CC1 ZINC000179200762 552186788 /nfs/dbraw/zinc/18/67/88/552186788.db2.gz DRLRQCTVJSASGF-QWHCGFSZSA-N 1 0 375.380 2.828 20 0 GFADRO COCCO[C@H]1CCC[N@H+](C[C@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000179348498 552190687 /nfs/dbraw/zinc/19/06/87/552190687.db2.gz YQRSHSOTHVGCFE-GJZGRUSLSA-N 1 0 378.296 2.861 20 0 GFADRO COCCO[C@H]1CCC[N@H+](C[C@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000179359408 552191439 /nfs/dbraw/zinc/19/14/39/552191439.db2.gz VCMGKELCRPXQIQ-GJZGRUSLSA-N 1 0 378.296 2.861 20 0 GFADRO O=C(NCCCCC[NH+]1CCCCC1)C(=O)Nc1cccnc1Br ZINC000179689103 552200294 /nfs/dbraw/zinc/20/02/94/552200294.db2.gz JUHIWBMOXIFZKC-UHFFFAOYSA-N 1 0 397.317 2.555 20 0 GFADRO COc1cc(NC(=O)NCCCn2ccnc2)cc(OC)c1Br ZINC000179925437 552207030 /nfs/dbraw/zinc/20/70/30/552207030.db2.gz CDZKTIWXNNCESJ-UHFFFAOYSA-N 1 0 383.246 2.875 20 0 GFADRO CS(=O)(=O)CCOCC[NH2+][C@H](c1ccc(Br)cc1)C1CC1 ZINC000180184573 552216598 /nfs/dbraw/zinc/21/65/98/552216598.db2.gz XILBUJYDLJXQBM-HNNXBMFYSA-N 1 0 376.316 2.551 20 0 GFADRO CS(=O)(=O)CCOCC[NH2+][C@@H](c1ccc(Br)cc1)C1CC1 ZINC000180184557 552216798 /nfs/dbraw/zinc/21/67/98/552216798.db2.gz XILBUJYDLJXQBM-OAHLLOKOSA-N 1 0 376.316 2.551 20 0 GFADRO CC[C@H](CO)[NH+]1CCN(Cc2ccc(Br)c3cccnc23)CC1 ZINC000180214815 552218178 /nfs/dbraw/zinc/21/81/78/552218178.db2.gz FXIGNZJDQMFFTH-OAHLLOKOSA-N 1 0 378.314 2.886 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)N1CCC([NH2+]C(C)C)CC1 ZINC000180359009 552224047 /nfs/dbraw/zinc/22/40/47/552224047.db2.gz HRZJLOPGVLVHNK-UHFFFAOYSA-N 1 0 396.329 2.993 20 0 GFADRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)CSc1nncs1 ZINC000180421906 552225609 /nfs/dbraw/zinc/22/56/09/552225609.db2.gz RDPBPWGYOALRCR-UHFFFAOYSA-N 1 0 377.539 2.790 20 0 GFADRO C[C@@H](C[NH2+][C@@H](C)c1cc2c(cc1Br)OCCO2)CS(C)(=O)=O ZINC000180478311 552227362 /nfs/dbraw/zinc/22/73/62/552227362.db2.gz XZCCAIAJDAJGRR-QWRGUYRKSA-N 1 0 392.315 2.552 20 0 GFADRO COc1ccc([C@H](C)[NH2+]CC2CCN(S(=O)(=O)C(F)F)CC2)cc1F ZINC000180801818 552236041 /nfs/dbraw/zinc/23/60/41/552236041.db2.gz VFQUYNUHTCDUBO-NSHDSACASA-N 1 0 380.432 2.749 20 0 GFADRO CCS(=O)(=O)C[C@@H](C)[NH2+][C@H](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000180823962 552236498 /nfs/dbraw/zinc/23/64/98/552236498.db2.gz ZTWIFNWYMUMPEF-VXGBXAGGSA-N 1 0 380.432 2.835 20 0 GFADRO CCS(=O)(=O)C[C@@H](C)[NH2+][C@@H](C)CC(=O)Nc1ccc(Br)cc1 ZINC000180824255 552236809 /nfs/dbraw/zinc/23/68/09/552236809.db2.gz ZZYGOMPDMFIDJV-NWDGAFQWSA-N 1 0 391.331 2.579 20 0 GFADRO CCN(CC)S(=O)(=O)c1cc(NC(=O)[C@]2(C)CCCC[NH2+]2)ccc1Cl ZINC000180902276 552239249 /nfs/dbraw/zinc/23/92/49/552239249.db2.gz GHEUBYWQELVYCT-KRWDZBQOSA-N 1 0 387.933 2.841 20 0 GFADRO COc1ccc(C(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)nc1Br ZINC000181154635 552248583 /nfs/dbraw/zinc/24/85/83/552248583.db2.gz BNTCGENOIKEVGM-ZDUSSCGKSA-N 1 0 382.302 2.943 20 0 GFADRO C[C@@H]([NH2+][C@@H]1CCO[C@]2(CCSC2)C1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000181452463 552257305 /nfs/dbraw/zinc/25/73/05/552257305.db2.gz UDPQRYLCPPHNQO-QGPMSJSTSA-N 1 0 384.567 2.642 20 0 GFADRO COc1ccc(C[C@@H](C)[NH2+]CCNS(=O)(=O)c2ccc(Cl)s2)cc1 ZINC000181618993 552262369 /nfs/dbraw/zinc/26/23/69/552262369.db2.gz XUHYGYRQMGETNN-GFCCVEGCSA-N 1 0 388.942 2.909 20 0 GFADRO CC[C@H]([NH2+]C[C@H](O)CS(=O)(=O)c1cccs1)c1ccc2c(c1)CCO2 ZINC000181634200 552263075 /nfs/dbraw/zinc/26/30/75/552263075.db2.gz WJEUJCSIPMONJV-HOTGVXAUSA-N 1 0 381.519 2.559 20 0 GFADRO C[C@H]([NH2+]C[C@H](O)CS(=O)(=O)c1cccs1)c1ccccc1OC(F)F ZINC000181633943 552263112 /nfs/dbraw/zinc/26/31/12/552263112.db2.gz HMZMLQURLMYZGD-RYUDHWBXSA-N 1 0 391.461 2.835 20 0 GFADRO C[C@@H]([NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1)c1ccc(F)cc1Br ZINC000181680584 552265220 /nfs/dbraw/zinc/26/52/20/552265220.db2.gz OFPZNVACIKNTBA-MNOVXSKESA-N 1 0 379.295 2.520 20 0 GFADRO CS(=O)(=O)N1CCC[C@@H]1C[NH2+][C@@H]1CCc2ccc(OC(F)(F)F)cc21 ZINC000181691365 552265551 /nfs/dbraw/zinc/26/55/51/552265551.db2.gz BLJJJIPZAXQDPJ-IUODEOHRSA-N 1 0 378.416 2.586 20 0 GFADRO COc1ccc([C@@H](C)[NH2+][C@@H](C(=O)N2CCOCC2)C(C)C)c(Br)c1 ZINC000181870866 552269939 /nfs/dbraw/zinc/26/99/39/552269939.db2.gz NCBMHCIXTKHMRK-CXAGYDPISA-N 1 0 399.329 2.992 20 0 GFADRO CCO[C@H]1C[C@@H]([NH2+]CCNS(=O)(=O)c2ccc(Cl)s2)C12CCC2 ZINC000182059563 552274465 /nfs/dbraw/zinc/27/44/65/552274465.db2.gz PPFFDJISECLVAO-NEPJUHHUSA-N 1 0 378.947 2.617 20 0 GFADRO COC(=O)CC[N@@H+]1CCN(CCOc2ccc(Cl)cc2Cl)[C@@H](C)C1 ZINC000182121306 552275572 /nfs/dbraw/zinc/27/55/72/552275572.db2.gz XSCIYPQXYWVVBW-ZDUSSCGKSA-N 1 0 375.296 2.941 20 0 GFADRO CCOC(=O)c1ccc(C[NH2+]C[C@@H](O)COc2ccccc2Br)o1 ZINC000182650082 552290328 /nfs/dbraw/zinc/29/03/28/552290328.db2.gz OADPZKALXPMXSX-GFCCVEGCSA-N 1 0 398.253 2.748 20 0 GFADRO CS(=O)(=O)N[C@H]1CC[N@H+](CCSc2ccnc3cc(Cl)ccc32)C1 ZINC000182795273 552293584 /nfs/dbraw/zinc/29/35/84/552293584.db2.gz FVJDUVIJBSSCMZ-ZDUSSCGKSA-N 1 0 385.942 2.604 20 0 GFADRO C[C@H]1CCC[C@H](C)C1[NH2+]CC(=O)NCC(=O)Nc1ccccc1Br ZINC000182951338 552297010 /nfs/dbraw/zinc/29/70/10/552297010.db2.gz ICHJKXBMTFWNMW-STQMWFEESA-N 1 0 396.329 2.918 20 0 GFADRO CC[C@H](C)[C@@H](C)[NH2+]CCC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1Cl ZINC000183046102 552299412 /nfs/dbraw/zinc/29/94/12/552299412.db2.gz QVZCTSQJCCCPNT-QWHCGFSZSA-N 1 0 389.949 2.943 20 0 GFADRO COc1ccc(Cl)cc1NC(=O)CC[NH2+][C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000183069122 552299760 /nfs/dbraw/zinc/29/97/60/552299760.db2.gz XPCMDZCSGRORNG-CZUORRHYSA-N 1 0 388.917 2.623 20 0 GFADRO Cc1cc(I)ccc1NC(=O)C[NH2+][C@H](C)[C@H]1CCCO1 ZINC000183139308 552301682 /nfs/dbraw/zinc/30/16/82/552301682.db2.gz LNLDQYHDJCDINV-BXUZGUMPSA-N 1 0 388.249 2.695 20 0 GFADRO C[S@@](=O)C[C@H]([NH2+]C[C@H](O)COCc1ccccc1Cl)c1ccccc1 ZINC000183167147 552302106 /nfs/dbraw/zinc/30/21/06/552302106.db2.gz RWXJQXHJZKDJHV-FXJWSJNKSA-N 1 0 381.925 2.927 20 0 GFADRO Cc1[nH]cc(C(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)c(=O)c1Br ZINC000183217885 552303172 /nfs/dbraw/zinc/30/31/72/552303172.db2.gz WIXQFXNHGFTLEG-ZDUSSCGKSA-N 1 0 382.302 2.806 20 0 GFADRO Cn1ccnc1[C@H]([NH2+]C[C@H](O)COc1ccccc1Br)C1CC1 ZINC000183342825 552306797 /nfs/dbraw/zinc/30/67/97/552306797.db2.gz FROPOBMDWBQIDH-XJKSGUPXSA-N 1 0 380.286 2.663 20 0 GFADRO O=C(NCc1ccccc1C[N@H+]1CC[C@H](O)C1)c1occc1Br ZINC000183430883 552309317 /nfs/dbraw/zinc/30/93/17/552309317.db2.gz KSJLKQDYSREGGL-AWEZNQCLSA-N 1 0 379.254 2.539 20 0 GFADRO COc1ccc([C@H](C)[NH2+]C[C@H]2CC[C@H](C(=O)N(C)C)O2)cc1Br ZINC000183466094 552309604 /nfs/dbraw/zinc/30/96/04/552309604.db2.gz CBSVZJSFQORMMY-NORZTCDRSA-N 1 0 385.302 2.744 20 0 GFADRO CC[NH+](CC)[C@@H](CNC(=O)Cc1nnc(NC)s1)c1ccccc1Cl ZINC000183493283 552310957 /nfs/dbraw/zinc/31/09/57/552310957.db2.gz VHQIMJBICNMXPF-AWEZNQCLSA-N 1 0 381.933 2.975 20 0 GFADRO COC(=O)[C@@H](c1cccc(Cl)c1Cl)N1CCC([N@H+](C)CCCO)CC1 ZINC000183594344 552314089 /nfs/dbraw/zinc/31/40/89/552314089.db2.gz IHBMCENIWXOTQD-QGZVFWFLSA-N 1 0 389.323 2.986 20 0 GFADRO COc1ccc(CN2CC[C@@H]([NH2+]Cc3cncc(Br)c3)C2=O)cc1 ZINC000183710542 552317692 /nfs/dbraw/zinc/31/76/92/552317692.db2.gz QJOSZOZALSFJKD-QGZVFWFLSA-N 1 0 390.281 2.743 20 0 GFADRO CN1CC[NH+](CCC(C)(C)NC(=O)Nc2cccc(Br)c2)CC1 ZINC000183888484 552321575 /nfs/dbraw/zinc/32/15/75/552321575.db2.gz OEMRIWHHPWEGEO-UHFFFAOYSA-N 1 0 383.334 2.987 20 0 GFADRO CN1CC[NH+](CCC(C)(C)NC(=O)CCc2cccc(Br)c2)CC1 ZINC000184170871 552329125 /nfs/dbraw/zinc/32/91/25/552329125.db2.gz ILNVCJDVZVDCJC-UHFFFAOYSA-N 1 0 396.373 2.914 20 0 GFADRO O=C(NCC1CC[NH+](CCO)CC1)c1cccc(Br)c1Cl ZINC000184233824 552330572 /nfs/dbraw/zinc/33/05/72/552330572.db2.gz SQIHQNGVLHACTE-UHFFFAOYSA-N 1 0 375.694 2.537 20 0 GFADRO C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)c1cc2cc(Br)ccc2o1 ZINC000184343299 552332620 /nfs/dbraw/zinc/33/26/20/552332620.db2.gz UUMMKVARNBQLKC-ZDUSSCGKSA-N 1 0 394.313 2.951 20 0 GFADRO C[C@H]([NH2+][C@@H](C)c1cc2ccccc2s1)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000184351647 552333421 /nfs/dbraw/zinc/33/34/21/552333421.db2.gz HTJZIGFZDVNDLD-KCQAQPDRSA-N 1 0 380.535 2.586 20 0 GFADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)[C@@H]1C[C@@H]1c1ccc(Br)cc1 ZINC000184377776 552334123 /nfs/dbraw/zinc/33/41/23/552334123.db2.gz WNRIPYRMRGFLST-ZTFGCOKTSA-N 1 0 394.357 2.695 20 0 GFADRO COC(=O)c1cc(Br)ccc1NC(=O)N(C)CC[N@H+](C)C1CC1 ZINC000184558279 552338560 /nfs/dbraw/zinc/33/85/60/552338560.db2.gz QGCHUHQUIVWOLE-UHFFFAOYSA-N 1 0 384.274 2.794 20 0 GFADRO Cc1sc([C@@H](C)[NH2+]CCN2C(=O)CNC2=O)nc1-c1ccc(Cl)cc1 ZINC000184942953 552349079 /nfs/dbraw/zinc/34/90/79/552349079.db2.gz UWCPOGYEZIIEPE-SNVBAGLBSA-N 1 0 378.885 2.974 20 0 GFADRO C[C@@H](CCc1ccc(O)cc1)[NH2+]CC1CCN(S(=O)(=O)C(F)F)CC1 ZINC000185524807 552365148 /nfs/dbraw/zinc/36/51/48/552365148.db2.gz HOQSLBCTOXAULE-ZDUSSCGKSA-N 1 0 376.469 2.567 20 0 GFADRO COCC[NH+](CCOC)Cc1cc(Br)cc(Br)c1N ZINC000185718985 552369718 /nfs/dbraw/zinc/36/97/18/552369718.db2.gz VQLSHLMNZWQBIU-UHFFFAOYSA-N 1 0 396.123 2.889 20 0 GFADRO COc1cc(CNC(=O)N(C)CCC[NH+](C)C)cc(Br)c1OC ZINC000185823811 552371353 /nfs/dbraw/zinc/37/13/53/552371353.db2.gz ZVIOOHYJYRKTSS-UHFFFAOYSA-N 1 0 388.306 2.559 20 0 GFADRO CNC(=O)[C@@H]([NH2+]Cc1cc(Br)cc(Br)c1N)C(C)C ZINC000185866878 552372624 /nfs/dbraw/zinc/37/26/24/552372624.db2.gz IWGPOONZVBIRJM-LBPRGKRZSA-N 1 0 393.123 2.654 20 0 GFADRO COCCNS(=O)(=O)c1cccc(C[NH2+][C@H](C)c2sccc2OC)c1 ZINC000186170490 552381016 /nfs/dbraw/zinc/38/10/16/552381016.db2.gz YDYTZRSBGQVNKB-CYBMUJFWSA-N 1 0 384.523 2.532 20 0 GFADRO O=C(NCC1=CC[NH2+]CC1)c1cc(Cl)ccc1I ZINC000186265952 552383529 /nfs/dbraw/zinc/38/35/29/552383529.db2.gz SEDFLZVJYUKOGT-UHFFFAOYSA-N 1 0 376.625 2.594 20 0 GFADRO [NH3+]Cc1ccc(C(=O)N[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)cc1 ZINC000186491951 552389222 /nfs/dbraw/zinc/38/92/22/552389222.db2.gz IREUQAAUFUDYTN-INIZCTEOSA-N 1 0 378.259 2.987 20 0 GFADRO COc1ccc2c(c1)nc(C[NH2+][C@@H](C)Cn1cc(Br)cn1)n2C ZINC000186530871 552390160 /nfs/dbraw/zinc/39/01/60/552390160.db2.gz ZGZGEHIFJVNUCO-NSHDSACASA-N 1 0 378.274 2.719 20 0 GFADRO Cn1ccnc1[C@](O)(CC[NH2+]Cc1cncc(Br)c1)C(F)(F)F ZINC000186602765 552392073 /nfs/dbraw/zinc/39/20/73/552392073.db2.gz IQEHEVOVFDQQMA-CYBMUJFWSA-N 1 0 393.207 2.507 20 0 GFADRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)Nc1ccc(Br)cc1F ZINC000186743655 552396722 /nfs/dbraw/zinc/39/67/22/552396722.db2.gz ICMREDVHOMDOLX-LLVKDONJSA-N 1 0 388.281 2.897 20 0 GFADRO Cc1nn(-c2ccc(C(=O)N[C@H]3C[NH2+]CC[C@@H]3C)cc2)c(C)c1Br ZINC000186891448 552400503 /nfs/dbraw/zinc/40/05/03/552400503.db2.gz MMLYGEWXKIVNPJ-ZBEGNZNMSA-N 1 0 391.313 2.979 20 0 GFADRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)c1c[nH]c2cccc(Br)c21 ZINC000186912648 552401308 /nfs/dbraw/zinc/40/13/08/552401308.db2.gz PXNIWEQAQRGOJV-LBPRGKRZSA-N 1 0 394.313 2.848 20 0 GFADRO Cc1cc(CCC(=O)N2CC[N@@H+](C[C@@H](C)O)C[C@H]2C)ccc1Br ZINC000186940859 552401890 /nfs/dbraw/zinc/40/18/90/552401890.db2.gz UVQRONDRYNPCNM-HUUCEWRRSA-N 1 0 383.330 2.604 20 0 GFADRO C[C@H]1CN(C(=O)Nc2ccc(Br)cc2F)CC[N@@H+]1CC(C)(C)O ZINC000186940022 552402014 /nfs/dbraw/zinc/40/20/14/552402014.db2.gz ZTPQEZNLIMGRKD-NSHDSACASA-N 1 0 388.281 2.897 20 0 GFADRO Cc1cc(Br)cc(S(=O)(=O)NC2CC[NH+](CC3CC3)CC2)c1 ZINC000186998717 552403570 /nfs/dbraw/zinc/40/35/70/552403570.db2.gz LLRZBCUEOMCLEJ-UHFFFAOYSA-N 1 0 387.343 2.910 20 0 GFADRO CCC[N@H+](CC)CCNC(=O)C(=O)Nc1cc(Br)c(F)cc1C ZINC000187841759 552425886 /nfs/dbraw/zinc/42/58/86/552425886.db2.gz LVNVFQOGLLYGLW-UHFFFAOYSA-N 1 0 388.281 2.683 20 0 GFADRO C[C@@H]1CCCC[N@H+](CC(=O)Nc2ccc(Cl)c(S(=O)(=O)N(C)C)c2)C1 ZINC000187990578 552430447 /nfs/dbraw/zinc/43/04/47/552430447.db2.gz YTWSEBVIGKVQOA-CYBMUJFWSA-N 1 0 387.933 2.651 20 0 GFADRO C[C@H]1C[NH+](CCCNC(=O)Cc2ccc(F)cc2Br)C[C@H](C)O1 ZINC000188030903 552432180 /nfs/dbraw/zinc/43/21/80/552432180.db2.gz LBIYLBQRFWEIOO-STQMWFEESA-N 1 0 387.293 2.746 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N2CCC([NH+](C)C)CC2)cc1Br ZINC000188071758 552433415 /nfs/dbraw/zinc/43/34/15/552433415.db2.gz BXHYIHBXOGFRLX-UHFFFAOYSA-N 1 0 382.302 2.557 20 0 GFADRO CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2cc(Br)c(C)cc2C)C1 ZINC000188077585 552433986 /nfs/dbraw/zinc/43/39/86/552433986.db2.gz GALBRGHHNYQYHM-CQSZACIVSA-N 1 0 396.329 2.853 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1cc(Br)c(C)cc1C ZINC000188098432 552435213 /nfs/dbraw/zinc/43/52/13/552435213.db2.gz PLVHXVRRPQIMOG-CYBMUJFWSA-N 1 0 382.302 2.605 20 0 GFADRO NC(=O)NC(=O)CCC[NH2+][C@H](CC1CC1)c1cc(F)cc(Br)c1 ZINC000188187920 552438754 /nfs/dbraw/zinc/43/87/54/552438754.db2.gz LNAAGYXZWDVLMB-CQSZACIVSA-N 1 0 386.265 2.994 20 0 GFADRO CN(CC1(c2ccc(Br)cc2)CC1)C(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC000188614194 552450418 /nfs/dbraw/zinc/45/04/18/552450418.db2.gz FSVLHPBTARTBBG-UHFFFAOYSA-N 1 0 389.297 2.622 20 0 GFADRO Cc1cc(Br)ccc1CNC(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000188689527 552451821 /nfs/dbraw/zinc/45/18/21/552451821.db2.gz SUSKAMFYFKKBJL-CQSZACIVSA-N 1 0 398.345 2.744 20 0 GFADRO Brc1ccc(C[NH2+]CCCO[C@H]2CCOC2)c(N2CCOCC2)c1 ZINC000188751337 552454540 /nfs/dbraw/zinc/45/45/40/552454540.db2.gz WYPCTERJYOMIRU-KRWDZBQOSA-N 1 0 399.329 2.571 20 0 GFADRO COc1cc(C)c(Br)cc1NC(=O)NCC[N@@H+]1CCCOCC1 ZINC000188813943 552455795 /nfs/dbraw/zinc/45/57/95/552455795.db2.gz JGXBVSTURXXOLN-UHFFFAOYSA-N 1 0 386.290 2.610 20 0 GFADRO C[C@H](O)C[NH+]1CCN(Cc2coc(-c3ccc(Br)cc3)n2)CC1 ZINC000189378935 552470372 /nfs/dbraw/zinc/47/03/72/552470372.db2.gz ZLQIAMCGWISVOV-ZDUSSCGKSA-N 1 0 380.286 2.603 20 0 GFADRO O=C(Nc1cccc(Br)c1)C(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000189396091 552470930 /nfs/dbraw/zinc/47/09/30/552470930.db2.gz ASVOMOGHMMVKIL-MRXNPFEDSA-N 1 0 394.313 2.865 20 0 GFADRO CCS[C@H]1CCCC[C@@H]1[NH2+]Cc1nnc2n1c1ccsc1c(=O)n2C ZINC000189483739 552472483 /nfs/dbraw/zinc/47/24/83/552472483.db2.gz SRLOPDZHRQKENO-AAEUAGOBSA-N 1 0 377.539 2.797 20 0 GFADRO O=C(Nc1ccc(F)cc1Br)C(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000190010281 552484942 /nfs/dbraw/zinc/48/49/42/552484942.db2.gz WQFWNNQRAXTXPS-CYBMUJFWSA-N 1 0 398.276 2.614 20 0 GFADRO Cc1cc(NC(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)ccc1Br ZINC000190031033 552485424 /nfs/dbraw/zinc/48/54/24/552485424.db2.gz FLQSGAPMHSMJAR-OAHLLOKOSA-N 1 0 394.313 2.783 20 0 GFADRO Cc1ccc(NC(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)c(Br)c1 ZINC000190020301 552485753 /nfs/dbraw/zinc/48/57/53/552485753.db2.gz VOHXDYAXNQLDQQ-CQSZACIVSA-N 1 0 394.313 2.783 20 0 GFADRO C[N@@H+]1CCC[C@H]2CN(S(=O)(=O)c3ccc(CC(F)(F)F)cc3)CC[C@@H]21 ZINC000190077849 552486695 /nfs/dbraw/zinc/48/66/95/552486695.db2.gz XUEIGDUQWJFROH-HOCLYGCPSA-N 1 0 376.444 2.896 20 0 GFADRO CNS(=O)(=O)CC[NH2+]Cc1ccc(-c2cccc(Br)c2)s1 ZINC000190302057 552492349 /nfs/dbraw/zinc/49/23/49/552492349.db2.gz GWPQRQDCBLGVMW-UHFFFAOYSA-N 1 0 389.340 2.816 20 0 GFADRO Cc1cc(NC(=O)C(=O)NCC[N@@H+](C)C2CCCC2)cc(C)c1Br ZINC000190497965 552498632 /nfs/dbraw/zinc/49/86/32/552498632.db2.gz VNUQSLDAXBNXTL-UHFFFAOYSA-N 1 0 396.329 2.995 20 0 GFADRO Cc1cc(NC(=O)C(=O)NCCC2CC[NH+](C)CC2)cc(C)c1Br ZINC000190522910 552500000 /nfs/dbraw/zinc/50/00/00/552500000.db2.gz JYBPYAIMCBMNCX-UHFFFAOYSA-N 1 0 396.329 2.853 20 0 GFADRO CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2cc(Cl)c(F)c(Cl)c2)C1 ZINC000190567635 552501431 /nfs/dbraw/zinc/50/14/31/552501431.db2.gz BRXVEBINQKQBSK-SNVBAGLBSA-N 1 0 376.259 2.871 20 0 GFADRO C[N@@H+]1CCC[C@H](CNS(=O)(=O)c2cc(Cl)c(Br)cc2F)C1 ZINC000190716160 552506952 /nfs/dbraw/zinc/50/69/52/552506952.db2.gz QDZKKNNYSZZSLH-SECBINFHSA-N 1 0 399.713 2.862 20 0 GFADRO CC[NH+]1CCN([C@H]2CCN(C(=O)Nc3cc(Cl)c(N)c(Cl)c3)C2)CC1 ZINC000190845322 552510639 /nfs/dbraw/zinc/51/06/39/552510639.db2.gz VYDMMSLUPVSLME-ZDUSSCGKSA-N 1 0 386.327 2.819 20 0 GFADRO Cc1cc(F)c(Br)cc1NC(=O)N[C@@H](C)CN1CC[NH+](C)CC1 ZINC000190877563 552512255 /nfs/dbraw/zinc/51/22/55/552512255.db2.gz NRMGUBRBVRMDAU-LBPRGKRZSA-N 1 0 387.297 2.654 20 0 GFADRO C[C@H]1C[C@@H](N(C)C(=O)Cc2ccc(I)cc2)CC[N@@H+]1C ZINC000190947549 552514047 /nfs/dbraw/zinc/51/40/47/552514047.db2.gz WMJXGHQDEJWOIE-WFASDCNBSA-N 1 0 386.277 2.775 20 0 GFADRO Cc1c(Br)cccc1CC(=O)NC[C@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000191677879 552534446 /nfs/dbraw/zinc/53/44/46/552534446.db2.gz KZRABVUHQLHDEO-GOSISDBHSA-N 1 0 396.373 2.688 20 0 GFADRO COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)NCC[NH+]1CCCCCC1 ZINC000191913524 552542195 /nfs/dbraw/zinc/54/21/95/552542195.db2.gz IWSIMQFENYPQFT-UHFFFAOYSA-N 1 0 388.295 2.933 20 0 GFADRO COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000191914084 552542296 /nfs/dbraw/zinc/54/22/96/552542296.db2.gz MIVUMHPSIBFPEI-NSHDSACASA-N 1 0 388.295 2.931 20 0 GFADRO CO[C@@H]1C[NH2+][C@@H](C(=O)NCCCCSc2ccccc2Br)C1 ZINC000191928363 552543158 /nfs/dbraw/zinc/54/31/58/552543158.db2.gz VGMATRJYCMVARQ-GXTWGEPZSA-N 1 0 387.343 2.815 20 0 GFADRO COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000191927836 552543235 /nfs/dbraw/zinc/54/32/35/552543235.db2.gz ZMPZFOMIVJUTEA-SNVBAGLBSA-N 1 0 386.279 2.541 20 0 GFADRO O=C1[C@@H](N2CC[C@H]([NH+]3CCCC3)C2)CCN1c1cccc(Br)c1 ZINC000192072534 552549216 /nfs/dbraw/zinc/54/92/16/552549216.db2.gz QJKNEIOSVMBDON-IRXDYDNUSA-N 1 0 378.314 2.725 20 0 GFADRO CC1CC[NH+](C2CCC(NC(=O)c3cc(Br)nn3C)CC2)CC1 ZINC000192159255 552554049 /nfs/dbraw/zinc/55/40/49/552554049.db2.gz JMVXMCKRFNYGBE-UHFFFAOYSA-N 1 0 383.334 2.956 20 0 GFADRO COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000192193807 552555034 /nfs/dbraw/zinc/55/50/34/552555034.db2.gz TWCAIASEXWFULA-HZMBPMFUSA-N 1 0 388.295 2.739 20 0 GFADRO Nc1c(Cl)cc(NC(=O)NCCCC[N@@H+]2CCC[C@@H]2CO)cc1Cl ZINC000192307226 552559530 /nfs/dbraw/zinc/55/95/30/552559530.db2.gz DSYBTRGWWKVLHM-GFCCVEGCSA-N 1 0 375.300 2.934 20 0 GFADRO COC(=O)C1CCC([NH2+]CCCNC(=O)c2cccc(Br)c2)CC1 ZINC000192441228 552563998 /nfs/dbraw/zinc/56/39/98/552563998.db2.gz NPYRJFPWNIHDHC-UHFFFAOYSA-N 1 0 397.313 2.890 20 0 GFADRO COc1cccc2c1CC[C@@H]([NH2+]CCN(C)S(=O)(=O)c1cccs1)C2 ZINC000192445902 552564048 /nfs/dbraw/zinc/56/40/48/552564048.db2.gz XGKRDWMCEXEBHS-OAHLLOKOSA-N 1 0 380.535 2.524 20 0 GFADRO C[N@H+]1C[C@H]2CN(C(=O)c3ccc(Cl)c(I)c3)C[C@H]2C1 ZINC000192465554 552564508 /nfs/dbraw/zinc/56/45/08/552564508.db2.gz GIXMXHMCWAISNU-PHIMTYICSA-N 1 0 390.652 2.578 20 0 GFADRO CC(C)N1CCC[C@H]([NH2+]C(C)(C)COc2ncccc2Br)C1=O ZINC000192718375 552972210 /nfs/dbraw/zinc/97/22/10/552972210.db2.gz QGJUZZOCGCNHKM-AWEZNQCLSA-N 1 0 384.318 2.991 20 0 GFADRO O=C(NCCC[NH+]1CCCCC1)C(=O)Nc1ccc(F)cc1Br ZINC000192844263 552975739 /nfs/dbraw/zinc/97/57/39/552975739.db2.gz PVFOCSJKXDRMAV-UHFFFAOYSA-N 1 0 386.265 2.519 20 0 GFADRO C[NH+](C)CCC1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 ZINC000194378158 553019417 /nfs/dbraw/zinc/01/94/17/553019417.db2.gz XWYHUIPDHQRUMC-UHFFFAOYSA-N 1 0 381.361 2.863 20 0 GFADRO CC[NH+](CC)CCN(CC(C)C)C(=O)C(=O)Nc1ccc(Br)cn1 ZINC000192973190 552979156 /nfs/dbraw/zinc/97/91/56/552979156.db2.gz QJFDBLRFXRTBFH-UHFFFAOYSA-N 1 0 399.333 2.609 20 0 GFADRO NS(=O)(=O)c1ccc(CC[NH2+][C@@H]2CCc3ccc(Br)cc32)cc1 ZINC000193160874 552985250 /nfs/dbraw/zinc/98/52/50/552985250.db2.gz QYAMBVHPHFNVIO-QGZVFWFLSA-N 1 0 395.322 2.916 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)NC1(C)CC[NH2+]CC1 ZINC000193365280 552991221 /nfs/dbraw/zinc/99/12/21/552991221.db2.gz WOYODLFPKVLZDF-CQSZACIVSA-N 1 0 384.567 2.609 20 0 GFADRO CCC[N@H+](CC)CCNC(=O)C(=O)Nc1cc2c(cc1Br)CCC2 ZINC000193419159 552993053 /nfs/dbraw/zinc/99/30/53/552993053.db2.gz DAXPQLWRAHWLTL-UHFFFAOYSA-N 1 0 396.329 2.724 20 0 GFADRO CC[NH+](CC)CCN(C(=O)Nc1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000193612136 552998690 /nfs/dbraw/zinc/99/86/90/552998690.db2.gz PMTROJGSZTUWIL-INIZCTEOSA-N 1 0 387.933 2.703 20 0 GFADRO CC[NH+](CC)CCN(C(=O)Nc1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000193612118 552998803 /nfs/dbraw/zinc/99/88/03/552998803.db2.gz PMTROJGSZTUWIL-MRXNPFEDSA-N 1 0 387.933 2.703 20 0 GFADRO C[C@H]1CCNC(=O)[C@@H]1[NH2+]Cc1ccc(Br)c(Br)c1 ZINC000193674694 552999980 /nfs/dbraw/zinc/99/99/80/552999980.db2.gz IZTZFQWXOGPJTB-QPUJVOFHSA-N 1 0 376.092 2.826 20 0 GFADRO C[NH+](C)CCN(Cc1ccco1)S(=O)(=O)c1c(F)c(F)cc(F)c1F ZINC000193793891 553003312 /nfs/dbraw/zinc/00/33/12/553003312.db2.gz QOAHETYVZNKEEO-UHFFFAOYSA-N 1 0 380.363 2.589 20 0 GFADRO CSC1(C[NH2+][C@H](C)c2ccc(S(=O)(=O)N3CCOCC3)cc2)CCC1 ZINC000193806939 553003597 /nfs/dbraw/zinc/00/35/97/553003597.db2.gz SYFFUBJCNCQZKC-OAHLLOKOSA-N 1 0 384.567 2.644 20 0 GFADRO CN(CC1CC1)C(=O)C[NH2+]C1(c2ccc(Br)cc2)CCOCC1 ZINC000194313376 553016972 /nfs/dbraw/zinc/01/69/72/553016972.db2.gz RDJFSSMBDIKPRG-UHFFFAOYSA-N 1 0 381.314 2.913 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1CN1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000194534575 553023121 /nfs/dbraw/zinc/02/31/21/553023121.db2.gz ASWAAIOWZFIEFN-IYBDPMFKSA-N 1 0 375.314 2.937 20 0 GFADRO CCOc1ccc(S(=O)(=O)N[C@@H](C[NH3+])C2CCCC2)cc1Br ZINC000194770783 553029086 /nfs/dbraw/zinc/02/90/86/553029086.db2.gz JZQKLSWNMLLDST-AWEZNQCLSA-N 1 0 391.331 2.644 20 0 GFADRO [NH3+]CCc1nc(C(=O)N2CCO[C@H](c3ccccc3Br)C2)cs1 ZINC000194792136 553029946 /nfs/dbraw/zinc/02/99/46/553029946.db2.gz XVONBSOGKRCBMB-AWEZNQCLSA-N 1 0 396.310 2.621 20 0 GFADRO O=C(NC1CC[NH+](CC2CC2)CC1)c1cc(Br)c2c(c1)OCCO2 ZINC000195350200 553046296 /nfs/dbraw/zinc/04/62/96/553046296.db2.gz FZSHKDBBLOELHU-UHFFFAOYSA-N 1 0 395.297 2.825 20 0 GFADRO CC[NH+](CC)C[C@@H](C)NC(=O)c1ccc(F)cc1I ZINC000222365209 553055735 /nfs/dbraw/zinc/05/57/35/553055735.db2.gz ULIPFHYMKTZETF-SNVBAGLBSA-N 1 0 378.229 2.890 20 0 GFADRO O=C(NCC[C@H]1CC[NH2+]C1)c1cc(Cl)ccc1I ZINC000226245968 553061392 /nfs/dbraw/zinc/06/13/92/553061392.db2.gz WOLMUNWWKSXYDU-SECBINFHSA-N 1 0 378.641 2.674 20 0 GFADRO C[C@H]1C[C@@H]([NH3+])CCN1C(=O)c1cc(Cl)ccc1I ZINC000227288745 553062619 /nfs/dbraw/zinc/06/26/19/553062619.db2.gz PQMNDPMOLVLVLT-WPRPVWTQSA-N 1 0 378.641 2.896 20 0 GFADRO CC(C)NC(=O)[C@@H](C)NCc1ncc(Br)cc1Br ZINC000228947714 553063755 /nfs/dbraw/zinc/06/37/55/553063755.db2.gz MHHPXCOWUKROSF-MRVPVSSYSA-N 1 0 379.096 2.609 20 0 GFADRO CC[C@H]1C[N@H+](C)CCCN1C(=O)c1ccc(F)cc1I ZINC000234056347 553067013 /nfs/dbraw/zinc/06/70/13/553067013.db2.gz QZDIZCPWCNQPEB-LBPRGKRZSA-N 1 0 390.240 2.987 20 0 GFADRO O=C(N[C@H]1CC[NH2+]C2(CCC2)C1)c1ccc(F)cc1I ZINC000236207755 553068739 /nfs/dbraw/zinc/06/87/39/553068739.db2.gz YTLYFPZAVOSHSX-NSHDSACASA-N 1 0 388.224 2.835 20 0 GFADRO O=C(CCC1CC[NH2+]CC1)N[C@H]1CCN(c2ccccc2Br)C1 ZINC000236578892 553069238 /nfs/dbraw/zinc/06/92/38/553069238.db2.gz BGFMVXHRIVHYAJ-HNNXBMFYSA-N 1 0 380.330 2.924 20 0 GFADRO O=C(NCCSCCOc1cccc(Br)c1)[C@@H]1CCCC[NH2+]1 ZINC000236637002 553069888 /nfs/dbraw/zinc/06/98/88/553069888.db2.gz MAGTZVUVDCZUAF-HNNXBMFYSA-N 1 0 387.343 2.819 20 0 GFADRO CCC([NH3+])(CC)CNC(=O)C[C@@H](NC(C)=O)c1ccc(Br)cc1 ZINC000236767090 553071067 /nfs/dbraw/zinc/07/10/67/553071067.db2.gz JOBLJTZEYJROHX-OAHLLOKOSA-N 1 0 384.318 2.650 20 0 GFADRO CCCC[C@@H](C[NH3+])NC(=O)[C@H]1CCCN1C(=O)c1ccc(Br)cc1 ZINC000236852201 553072110 /nfs/dbraw/zinc/07/21/10/553072110.db2.gz BLZLHPSIKRXKCZ-JKSUJKDBSA-N 1 0 396.329 2.687 20 0 GFADRO CC[C@@H](C)[C@@H]([NH3+])C(=O)N1CCC(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000236945520 553072927 /nfs/dbraw/zinc/07/29/27/553072927.db2.gz ILTPJPUENVJFBI-MLGOLLRUSA-N 1 0 396.329 3.000 20 0 GFADRO CC[C@@H](C)[C@H]([NH3+])C(=O)NCC1(c2cccc(Br)c2)CCOCC1 ZINC000236920187 553072946 /nfs/dbraw/zinc/07/29/46/553072946.db2.gz DAMHLVLKUZAPBT-CJNGLKHVSA-N 1 0 383.330 2.987 20 0 GFADRO CCOc1c(Br)cc(C(=O)N2CCC[C@H](C[NH2+]C)C2)cc1OC ZINC000237016207 553073862 /nfs/dbraw/zinc/07/38/62/553073862.db2.gz INFYQLOJJPIFCM-GFCCVEGCSA-N 1 0 385.302 2.928 20 0 GFADRO COc1ccc(Br)cc1C(=O)CCC(=O)N[C@H](C[NH3+])CC(C)C ZINC000237111588 553074734 /nfs/dbraw/zinc/07/47/34/553074734.db2.gz BTSHWLJXMYGLBQ-ZDUSSCGKSA-N 1 0 385.302 2.910 20 0 GFADRO COC(=O)C[C@@H](NC(=O)CC1CC[NH2+]CC1)c1ccc(Br)cc1 ZINC000237203686 553076143 /nfs/dbraw/zinc/07/61/43/553076143.db2.gz VOHLFEDZDFMCOX-OAHLLOKOSA-N 1 0 383.286 2.559 20 0 GFADRO COc1ccc(CNC(=O)[C@H]2[NH2+]CCc3ccccc32)cc1Br ZINC000237325142 553076554 /nfs/dbraw/zinc/07/65/54/553076554.db2.gz LSMOMDMAQJUHHF-KRWDZBQOSA-N 1 0 375.266 2.961 20 0 GFADRO COCC[NH2+]CCNC(=O)c1cc(COc2c(Cl)cccc2Cl)on1 ZINC000237329525 553077050 /nfs/dbraw/zinc/07/70/50/553077050.db2.gz OZDJGHRMUYATOH-UHFFFAOYSA-N 1 0 388.251 2.526 20 0 GFADRO C[C@@H](NC(=O)[C@]1(C)CC[NH2+]C1)c1nc(-c2ccc(Br)cc2)no1 ZINC000237472767 553078525 /nfs/dbraw/zinc/07/85/25/553078525.db2.gz BCASMECUSUQUSO-QLJPJBMISA-N 1 0 379.258 2.676 20 0 GFADRO C[C@@H](NC(=O)CC1CC[NH2+]CC1)c1cc2c(cc1Br)OCCO2 ZINC000237529779 553078869 /nfs/dbraw/zinc/07/88/69/553078869.db2.gz PCEYKFQRTDZXKG-LLVKDONJSA-N 1 0 383.286 2.787 20 0 GFADRO C[C@]1(C(=O)NC[C@H]2CCN(c3cccc(Br)c3)C2)CCC[NH2+]C1 ZINC000237566988 553079434 /nfs/dbraw/zinc/07/94/34/553079434.db2.gz PJFXMUHGGMEBBR-KDOFPFPSSA-N 1 0 380.330 2.781 20 0 GFADRO O=C(NCC[C@@H]1CCC[NH2+]C1)[C@@H]1CCN(c2cc(Cl)ccc2Cl)C1=O ZINC000237716073 553081179 /nfs/dbraw/zinc/08/11/79/553081179.db2.gz DLTMPQNEHHHDQM-JSGCOSHPSA-N 1 0 384.307 2.852 20 0 GFADRO Cc1c(C(=O)N2CCC[C@@H](C[NH3+])C2)cnn1-c1ccc(Br)cc1 ZINC000237747736 553081315 /nfs/dbraw/zinc/08/13/15/553081315.db2.gz HBKCIHXAJWWNKV-ZDUSSCGKSA-N 1 0 377.286 2.754 20 0 GFADRO O=C(NC[C@@H]1CCCC[NH2+]1)[C@@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 ZINC000237833620 553082807 /nfs/dbraw/zinc/08/28/07/553082807.db2.gz AACQSHMWEITVMO-HOTGVXAUSA-N 1 0 384.307 2.856 20 0 GFADRO [NH3+]C1CCN(C(=O)c2cccn2-c2cccc(I)c2)CC1 ZINC000237844146 553082815 /nfs/dbraw/zinc/08/28/15/553082815.db2.gz KFHAJLCWNLCBMK-UHFFFAOYSA-N 1 0 395.244 2.645 20 0 GFADRO [NH3+][C@H]1CCN(S(=O)(=O)c2ccc(-c3ccc(Br)cc3)cc2)C1 ZINC000237854676 553082977 /nfs/dbraw/zinc/08/29/77/553082977.db2.gz BCUVBCOAMCECHH-HNNXBMFYSA-N 1 0 381.295 2.838 20 0 GFADRO [NH3+]C[C@H]1CCCCN1C(=O)CCC[S@@](=O)c1ccc(Br)cc1 ZINC000237940758 553083946 /nfs/dbraw/zinc/08/39/46/553083946.db2.gz CFAMJNZLQRCENJ-JLCFBVMHSA-N 1 0 387.343 2.677 20 0 GFADRO [NH3+]CC1CCN(C(=O)CCC[S@](=O)c2ccc(Br)cc2)CC1 ZINC000238025728 553085192 /nfs/dbraw/zinc/08/51/92/553085192.db2.gz DKVAUZJWRCDGSN-QFIPXVFZSA-N 1 0 387.343 2.534 20 0 GFADRO [NH3+]C[C@@H](C(=O)N[C@@H]1CCN(c2ccccc2Br)C1)c1ccccc1 ZINC000238035396 553085300 /nfs/dbraw/zinc/08/53/00/553085300.db2.gz BLURHCGRFTZHFG-HZPDHXFCSA-N 1 0 388.309 2.887 20 0 GFADRO [NH3+]C[C@@H]1CCCN(C(=O)C2(c3ccc(Br)cc3)CCOCC2)C1 ZINC000238068262 553085522 /nfs/dbraw/zinc/08/55/22/553085522.db2.gz CFLUUSAOEAOBDO-AWEZNQCLSA-N 1 0 381.314 2.695 20 0 GFADRO NC(=O)[C@@H](c1ccc(Br)cc1F)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000245443940 553091042 /nfs/dbraw/zinc/09/10/42/553091042.db2.gz JFSJXINNULSHKY-SUMWQHHRSA-N 1 0 398.320 2.922 20 0 GFADRO C[N@@H+]1CC[C@H](CNC(=O)NCCC[S@](C)=O)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245664477 553094979 /nfs/dbraw/zinc/09/49/79/553094979.db2.gz GRVOLZPZEWMWCT-MLTMRYFHSA-N 1 0 389.924 2.540 20 0 GFADRO C[C@H](C(=O)Nc1ccc(Br)cc1Br)[N@@H+](C)C[C@H](C)O ZINC000245734647 553096230 /nfs/dbraw/zinc/09/62/30/553096230.db2.gz CWNZTSSEADLHBQ-DTWKUNHWSA-N 1 0 394.107 2.851 20 0 GFADRO C[N@H+](C[C@@H](O)COCc1ccco1)[C@H](CO)c1cccc(Br)c1 ZINC000245852828 553098666 /nfs/dbraw/zinc/09/86/66/553098666.db2.gz DDUBSQYBLZKVMW-NVXWUHKLSA-N 1 0 384.270 2.585 20 0 GFADRO C[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCCN2C(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000246171644 553103753 /nfs/dbraw/zinc/10/37/53/553103753.db2.gz OOCMFCOFFVZTIK-BLLLJJGKSA-N 1 0 384.307 2.666 20 0 GFADRO O[C@H](COc1ccc(Br)cc1)CN1CCC[C@H]1C[NH+]1CCCC1 ZINC000246212502 553104401 /nfs/dbraw/zinc/10/44/01/553104401.db2.gz BHTSCKXNXJFCAS-IRXDYDNUSA-N 1 0 383.330 2.749 20 0 GFADRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)S(=O)(=O)c1cc(Br)c(F)cc1F ZINC000246242996 553104987 /nfs/dbraw/zinc/10/49/87/553104987.db2.gz RVMQJCZFFWZURV-NOZJJQNGSA-N 1 0 397.285 2.688 20 0 GFADRO NC(=O)[C@H](c1ccc(Br)cc1)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246436200 553107610 /nfs/dbraw/zinc/10/76/10/553107610.db2.gz CVCICFBHQGUQPB-WBAXXEDZSA-N 1 0 392.341 2.924 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)Nc2ccc(Br)cc2)CC1=O ZINC000246420077 553107838 /nfs/dbraw/zinc/10/78/38/553107838.db2.gz MADIHLMGNXCTRL-XJKSGUPXSA-N 1 0 394.313 2.720 20 0 GFADRO COC(=O)C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H](C)c1ccc(Br)cc1 ZINC000246549841 553109496 /nfs/dbraw/zinc/10/94/96/553109496.db2.gz KIWJUMYGSWIPMA-WFASDCNBSA-N 1 0 383.286 2.654 20 0 GFADRO CC[C@@H]1CN(C(=O)[C@H](C)Oc2ccccc2Br)CC[N@@H+]1C[C@@H](C)O ZINC000246684257 553111227 /nfs/dbraw/zinc/11/12/27/553111227.db2.gz BCILWEOTGWJLLN-QLFBSQMISA-N 1 0 399.329 2.520 20 0 GFADRO C[C@H](CO[C@H]1CCOC1)[NH2+][C@H](C)CC(=O)Nc1ccc(Br)cc1 ZINC000246837508 553114335 /nfs/dbraw/zinc/11/43/35/553114335.db2.gz BJRHBEZPURHECO-IOASZLSFSA-N 1 0 385.302 2.950 20 0 GFADRO C[N@@H+]1CCC[C@@H]2CN(S(=O)(=O)c3cccc(OC(F)(F)F)c3)CC[C@H]21 ZINC000246870121 553114383 /nfs/dbraw/zinc/11/43/83/553114383.db2.gz DIQVGOGEDNKOKY-IUODEOHRSA-N 1 0 378.416 2.690 20 0 GFADRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccccc2I)C1 ZINC000246968708 553116282 /nfs/dbraw/zinc/11/62/82/553116282.db2.gz XSOAIOLUHFGEHG-SWLSCSKDSA-N 1 0 384.261 2.848 20 0 GFADRO CN(Cc1c(F)cccc1Cl)S(=O)(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000246992287 553116576 /nfs/dbraw/zinc/11/65/76/553116576.db2.gz KGOHPAWAZVSHNT-CXAGYDPISA-N 1 0 389.924 2.572 20 0 GFADRO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)[C@@H]2SCCc3sccc32)CC1 ZINC000247052041 553118393 /nfs/dbraw/zinc/11/83/93/553118393.db2.gz YPESBYCQHLUPQY-MAUKXSAKSA-N 1 0 379.595 2.707 20 0 GFADRO Cc1sc(Br)cc1S(=O)(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000247337149 553121695 /nfs/dbraw/zinc/12/16/95/553121695.db2.gz HIBZMIBOFWIBLQ-NWDGAFQWSA-N 1 0 393.372 2.924 20 0 GFADRO C[C@@H]1CN(C(=O)[C@H]2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)C[C@H](C)[NH2+]1 ZINC000247449121 553122052 /nfs/dbraw/zinc/12/20/52/553122052.db2.gz YUWDLRXLHNKMJB-BFQNTYOBSA-N 1 0 384.307 2.807 20 0 GFADRO O[C@@H](COc1ccc(Cl)cc1Br)C[N@@H+]1CC[C@@]2(CCOC2)C1 ZINC000247455708 553122104 /nfs/dbraw/zinc/12/21/04/553122104.db2.gz TXPQGNALVQXFNI-CZUORRHYSA-N 1 0 390.705 2.955 20 0 GFADRO COCCOC[C@@H]1CC[N@H+](C[C@@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000247538685 553123301 /nfs/dbraw/zinc/12/33/01/553123301.db2.gz OYHONPHXCCRNLN-UKRRQHHQSA-N 1 0 378.296 2.718 20 0 GFADRO CN(Cc1ccccc1Br)C(=O)CN1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000247959152 553126680 /nfs/dbraw/zinc/12/66/80/553126680.db2.gz FZUAHYGXWUTSNK-SJLPKXTDSA-N 1 0 394.357 2.824 20 0 GFADRO COc1ccc([C@@H](C)[NH2+]CC(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1Br ZINC000248434735 553129388 /nfs/dbraw/zinc/12/93/88/553129388.db2.gz DZNCOAQHEOJEAC-FRRDWIJNSA-N 1 0 385.302 2.744 20 0 GFADRO O=C1NC(=O)[C@@]2(CCC[N@@H+]([C@@H]3CCCc4ccc(Br)cc43)C2)N1 ZINC000248672671 553133351 /nfs/dbraw/zinc/13/33/51/553133351.db2.gz GFVWOTWUABHAGN-PBHICJAKSA-N 1 0 378.270 2.501 20 0 GFADRO Cc1ccc(NC(=O)C(=O)NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)cc1Br ZINC000248865697 553135969 /nfs/dbraw/zinc/13/59/69/553135969.db2.gz HBEAMCYYFSUEHT-TZMCWYRMSA-N 1 0 396.329 2.933 20 0 GFADRO Cc1cc(Br)cc(S(=O)(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c1 ZINC000249053476 553138390 /nfs/dbraw/zinc/13/83/90/553138390.db2.gz CHIYFFHVJSBJCA-BBRMVZONSA-N 1 0 387.343 2.862 20 0 GFADRO CC[C@H]([NH2+][C@@H](C)C(=O)N(CC)[C@H]1CCS(=O)(=O)C1)c1ccc(Cl)cc1 ZINC000249101345 553139048 /nfs/dbraw/zinc/13/90/48/553139048.db2.gz DNBNIHBQYSBJHV-JQFCIGGWSA-N 1 0 386.945 2.805 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000249125309 553139820 /nfs/dbraw/zinc/13/98/20/553139820.db2.gz CGJFINYOJXFKLX-JSGCOSHPSA-N 1 0 382.302 2.637 20 0 GFADRO C[C@H](Oc1ccccc1Br)C(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000249380222 553142395 /nfs/dbraw/zinc/14/23/95/553142395.db2.gz OXFIXVDYGJNFDL-KBPBESRZSA-N 1 0 399.329 2.520 20 0 GFADRO COCCO[C@@H]1CCN([C@H](C)C(=O)Nc2ccc(C)cc2Br)C1 ZINC000249348501 553142416 /nfs/dbraw/zinc/14/24/16/553142416.db2.gz KBBNDNWZCUBEMY-ZIAGYGMSSA-N 1 0 385.302 2.822 20 0 GFADRO O[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3C[N@@H+]2CCCOc1cccc(I)c1 ZINC000249431002 553142788 /nfs/dbraw/zinc/14/27/88/553142788.db2.gz DWYAGPASMIKPEM-PASATYPHSA-N 1 0 399.272 2.761 20 0 GFADRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)Nc1ccccc1Br ZINC000250671840 553147940 /nfs/dbraw/zinc/14/79/40/553147940.db2.gz YASAQBGUUVCOLP-MCIONIFRSA-N 1 0 396.329 2.870 20 0 GFADRO C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N1CCN(C[C@H](C)O)C[C@H]1C ZINC000253203625 553150907 /nfs/dbraw/zinc/15/09/07/553150907.db2.gz HMRHXWYGCNWNEJ-FRRDWIJNSA-N 1 0 375.296 2.674 20 0 GFADRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)Nc1ccc(Br)cc1 ZINC000253358332 553151157 /nfs/dbraw/zinc/15/11/57/553151157.db2.gz OJWOCUUONXVNII-STQMWFEESA-N 1 0 382.302 2.624 20 0 GFADRO CCS[C@@H]1CCCC[N@H+](CC(=O)N2CCN(Cc3ccsc3)CC2)C1 ZINC000261483495 553153494 /nfs/dbraw/zinc/15/34/94/553153494.db2.gz XXVMTTGHWWSDIC-GOSISDBHSA-N 1 0 381.611 3.000 20 0 GFADRO COCC1(CNC(=O)c2cc(Br)ccc2Cl)CC[NH2+]CC1 ZINC000261600113 553154092 /nfs/dbraw/zinc/15/40/92/553154092.db2.gz BKEWXGOGYFLSNX-UHFFFAOYSA-N 1 0 375.694 2.849 20 0 GFADRO C[C@@]([NH3+])(C(=O)Nc1cc(C2CCOCC2)[nH]n1)c1ccc(Br)cc1 ZINC000261649721 553155011 /nfs/dbraw/zinc/15/50/11/553155011.db2.gz DMGBLHALMLNOSL-KRWDZBQOSA-N 1 0 393.285 2.879 20 0 GFADRO Clc1cccc([C@H]2C[NH2+]CCN2Cc2cnc(N3CCOCC3)s2)c1 ZINC000261660856 553156037 /nfs/dbraw/zinc/15/60/37/553156037.db2.gz IFWWVUJSLFWKSN-QGZVFWFLSA-N 1 0 378.929 2.780 20 0 GFADRO CC(=O)N[C@H](CC(=O)N1CC[C@@H](C)C[C@H]1C[NH3+])c1ccc(Br)cc1 ZINC000261775054 553159133 /nfs/dbraw/zinc/15/91/33/553159133.db2.gz KTOJRNCHUOWIBH-OAUYIBNBSA-N 1 0 396.329 2.602 20 0 GFADRO C[C@]1(C[NH3+])CCN(C(=O)CCC[S@@](=O)c2ccc(Br)cc2)C1 ZINC000261782226 553159392 /nfs/dbraw/zinc/15/93/92/553159392.db2.gz GDTSVAGWBCGBCK-OPAMFIHVSA-N 1 0 387.343 2.534 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCCN(Cc2ccc(Br)cc2N2CCOCC2)C1 ZINC000261796077 553160038 /nfs/dbraw/zinc/16/00/38/553160038.db2.gz GOXGTVPYCUKEBU-LSDHHAIUSA-N 1 0 382.346 2.845 20 0 GFADRO CCCC(=O)N[C@H]1CCCN(C(=O)[C@@](C)([NH3+])c2ccc(Br)cc2)C1 ZINC000261828231 553160419 /nfs/dbraw/zinc/16/04/19/553160419.db2.gz TXAIDLLRHVLNCY-YJBOKZPZSA-N 1 0 396.329 2.530 20 0 GFADRO Cc1cccc(NCCNC(=O)[C@](C)([NH3+])c2ccc(Br)cc2)n1 ZINC000261841362 553160692 /nfs/dbraw/zinc/16/06/92/553160692.db2.gz UZINVHMKVJSORD-QGZVFWFLSA-N 1 0 377.286 2.555 20 0 GFADRO CC(C)Cn1ccnc1CNC(=O)[C@@](C)([NH3+])c1ccc(Br)cc1 ZINC000261823871 553160709 /nfs/dbraw/zinc/16/07/09/553160709.db2.gz SWNLBFASJKQCGA-KRWDZBQOSA-N 1 0 379.302 2.792 20 0 GFADRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)[C@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl ZINC000261846402 553160994 /nfs/dbraw/zinc/16/09/94/553160994.db2.gz PRXGPQOTXHRCJJ-BFQNTYOBSA-N 1 0 384.307 2.794 20 0 GFADRO C[C@]([NH3+])(C(=O)N1CCO[C@H](c2nccs2)C1)c1ccc(Br)cc1 ZINC000261846723 553161247 /nfs/dbraw/zinc/16/12/47/553161247.db2.gz VKFYDHMCTQSEOO-XJKSGUPXSA-N 1 0 396.310 2.680 20 0 GFADRO C[C@H]1CSc2ccc(Br)cc2[C@@H]1NC(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000261912302 553162068 /nfs/dbraw/zinc/16/20/68/553162068.db2.gz XTLJIGAFKMXWCE-XPGAZNKBSA-N 1 0 385.327 2.855 20 0 GFADRO CCOC(=O)[C@H](Cc1cc(Cl)cc(Cl)c1)NC(=O)CC[C@@H]1CC[NH2+]C1 ZINC000261903073 553162137 /nfs/dbraw/zinc/16/21/37/553162137.db2.gz ZFGOAAQZHKHGKN-WBMJQRKESA-N 1 0 387.307 2.974 20 0 GFADRO Cc1sc2ncnc(SCC(=O)N3CC[C@H]4C[NH2+]C[C@H]4CC3)c2c1C ZINC000261912512 553162275 /nfs/dbraw/zinc/16/22/75/553162275.db2.gz XTRIXNRTTRYFAF-OKILXGFUSA-N 1 0 376.551 2.858 20 0 GFADRO C[C@@H]1CCN(C(=O)c2cc(F)ccc2I)[C@H](C[NH3+])C1 ZINC000261910430 553162319 /nfs/dbraw/zinc/16/23/19/553162319.db2.gz XMYLNKUHACFNEY-KOLCDFICSA-N 1 0 376.213 2.630 20 0 GFADRO Cc1ccc(Br)cc1S(=O)(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000262005347 553164001 /nfs/dbraw/zinc/16/40/01/553164001.db2.gz VRWIRFWZYQNIDV-HNNXBMFYSA-N 1 0 387.343 2.910 20 0 GFADRO O=C(Nc1ccc(C(=O)N[C@H]2CCC[NH2+]C2)cc1)c1ccc(Br)o1 ZINC000262009964 553164300 /nfs/dbraw/zinc/16/43/00/553164300.db2.gz JFGYTYRQSDIJDN-ZDUSSCGKSA-N 1 0 392.253 2.776 20 0 GFADRO CN(C(=O)C[C@H]1COCC[NH2+]1)[C@@H]1CCSc2ccc(Br)cc21 ZINC000262034644 553164885 /nfs/dbraw/zinc/16/48/85/553164885.db2.gz AVLFEWZPZHTTMR-GXTWGEPZSA-N 1 0 385.327 2.823 20 0 GFADRO C[C@]1(C[NH3+])CCN(C(=O)[C@@H](c2ccc(Cl)cc2Cl)N2CCOCC2)C1 ZINC000262122856 553166539 /nfs/dbraw/zinc/16/65/39/553166539.db2.gz WIAFVTDSEYXFBM-SJLPKXTDSA-N 1 0 386.323 2.564 20 0 GFADRO [NH3+][C@@H](C(=O)N1CCO[C@H](c2cc(F)c(Cl)cc2Cl)C1)C1CCOCC1 ZINC000262179169 553166979 /nfs/dbraw/zinc/16/69/79/553166979.db2.gz YZWRQJSQDDKOKF-JKSUJKDBSA-N 1 0 391.270 2.786 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCCCN1S(=O)(=O)c1cccc(Br)c1Cl ZINC000262369696 553169986 /nfs/dbraw/zinc/16/99/86/553169986.db2.gz WOPYFGVTLGWXPB-ONGXEEELSA-N 1 0 381.723 2.993 20 0 GFADRO COc1ccc(Br)c(C(=O)Nc2nc3c(s2)C[C@@H]([NH3+])CC3)c1 ZINC000262401714 553170429 /nfs/dbraw/zinc/17/04/29/553170429.db2.gz CIHSIEUYNHEWPP-QMMMGPOBSA-N 1 0 382.283 2.983 20 0 GFADRO Cc1c(C(=O)NCC[C@@H]2CC[NH2+]C2)cnn1-c1ccc(Br)cc1 ZINC000262602530 553172996 /nfs/dbraw/zinc/17/29/96/553172996.db2.gz XXYOJYFXLMYDPR-ZDUSSCGKSA-N 1 0 377.286 2.673 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000262767508 553175157 /nfs/dbraw/zinc/17/51/57/553175157.db2.gz SPYPHFVUEQOXBE-VBNZEHGJSA-N 1 0 394.313 2.530 20 0 GFADRO O=C(c1ccn([C@@H]2CCC[NH2+]C2)n1)N1CCc2ccc(Br)cc21 ZINC000262757525 553175224 /nfs/dbraw/zinc/17/52/24/553175224.db2.gz KZTMLUBKGRELDC-CQSZACIVSA-N 1 0 375.270 2.773 20 0 GFADRO [NH3+]Cc1cc(C(=O)Nc2cc(Br)ccc2N2CCOCC2)co1 ZINC000262791651 553175750 /nfs/dbraw/zinc/17/57/50/553175750.db2.gz OCNDLDXWJMEXCI-UHFFFAOYSA-N 1 0 380.242 2.590 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)[C@H]1CCCC[C@]1(C)[NH3+] ZINC000262906319 553178379 /nfs/dbraw/zinc/17/83/79/553178379.db2.gz FGBFWVXAWJLCHE-DYVFJYSZSA-N 1 0 382.302 2.720 20 0 GFADRO CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)C[C@@H](C[NH3+])OC ZINC000262935370 553179067 /nfs/dbraw/zinc/17/90/67/553179067.db2.gz TWQYALJACLGTBC-LBPRGKRZSA-N 1 0 376.284 2.534 20 0 GFADRO O=C(CCC1CC[NH2+]CC1)N[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000263148026 553183133 /nfs/dbraw/zinc/18/31/33/553183133.db2.gz CWYONTBOXAOSCT-INIZCTEOSA-N 1 0 380.330 2.924 20 0 GFADRO Cc1csc(Sc2ccc(NC(=O)C(=O)NC[C@H](C)[NH+](C)C)cc2)n1 ZINC000263646553 553190077 /nfs/dbraw/zinc/19/00/77/553190077.db2.gz BVIIMNPMGHEGJK-LBPRGKRZSA-N 1 0 378.523 2.608 20 0 GFADRO C[C@@H]1C[N@@H+](CC2CCN(C(=O)c3cncc(Br)c3)CC2)C[C@H](C)O1 ZINC000263783946 553193412 /nfs/dbraw/zinc/19/34/12/553193412.db2.gz OOHLLSGKQVRGFO-OKILXGFUSA-N 1 0 396.329 2.806 20 0 GFADRO COCCC[NH+]1CCC(NC(=O)/C=C/c2c(Cl)nc3sccn23)CC1 ZINC000263846785 553194635 /nfs/dbraw/zinc/19/46/35/553194635.db2.gz FHDYTDHNKRSGDA-ONEGZZNKSA-N 1 0 382.917 2.680 20 0 GFADRO C[C@H](CC[NH3+])NC(=O)NCCOc1ccc(Br)cc1C(F)(F)F ZINC000417960469 563892811 /nfs/dbraw/zinc/89/28/11/563892811.db2.gz XRQNBDFTQJFNHH-SECBINFHSA-N 1 0 398.223 2.883 20 0 GFADRO COc1cc(C[NH2+][C@@H]2CCC[C@@H]2CO)cc(I)c1OC ZINC000449708879 564197687 /nfs/dbraw/zinc/19/76/87/564197687.db2.gz WUXYMTXJQOYPMM-DGCLKSJQSA-N 1 0 391.249 2.559 20 0 GFADRO OCCC[N@@H+]1CCC[C@@H]1CNc1ccc(Br)c(C(F)(F)F)n1 ZINC000450600064 564241059 /nfs/dbraw/zinc/24/10/59/564241059.db2.gz VEHLHOHHNUZYMK-SNVBAGLBSA-N 1 0 382.224 3.122 20 0 GFADRO CC[NH+]1CCC(CCNS(=O)(=O)c2ccc(Br)cc2F)CC1 ZINC000476352594 564337147 /nfs/dbraw/zinc/33/71/47/564337147.db2.gz TYCNKDFXFLTHGY-UHFFFAOYSA-N 1 0 393.322 2.989 20 0 GFADRO CC(C)C[C@H](CNC(=O)c1ccc(I)c(O)c1)[NH+](C)C ZINC000544894177 564403553 /nfs/dbraw/zinc/40/35/53/564403553.db2.gz OQNKKPBIPAAWHO-GFCCVEGCSA-N 1 0 390.265 2.703 20 0 GFADRO [NH3+]CC12CCC(CC1)CN2S(=O)(=O)c1ccc(Br)cc1Cl ZINC000568651672 564428722 /nfs/dbraw/zinc/42/87/22/564428722.db2.gz ZKGRCNGHZJOOPI-UHFFFAOYSA-N 1 0 393.734 2.995 20 0 GFADRO C[C@@H](CNC(=O)Nc1cc(F)c(I)c(F)c1)[NH+](C)C ZINC000454650044 564517641 /nfs/dbraw/zinc/51/76/41/564517641.db2.gz FLJQKJFMRNABQX-ZETCQYMHSA-N 1 0 383.180 2.641 20 0 GFADRO CC[C@H](CSC)[N@H+](C)Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000602667322 565861819 /nfs/dbraw/zinc/86/18/19/565861819.db2.gz PWPZTYNONCMQDQ-LLVKDONJSA-N 1 0 381.361 2.670 20 0 GFADRO CON1CCC([NH2+]Cc2c(F)ccc(I)c2F)CC1 ZINC000421402250 563309728 /nfs/dbraw/zinc/30/97/28/563309728.db2.gz DLJWNJVSWCTXEE-UHFFFAOYSA-N 1 0 382.192 2.685 20 0 GFADRO C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)c1ccc(F)cc1I ZINC000311830310 563435913 /nfs/dbraw/zinc/43/59/13/563435913.db2.gz GDAIRSOAELIXFL-TVQRCGJNSA-N 1 0 376.213 2.595 20 0 GFADRO CC(C)C[C@](C)(C[NH3+])NC(=O)c1cc(F)ccc1I ZINC000429194964 563511608 /nfs/dbraw/zinc/51/16/08/563511608.db2.gz TWSSUEZPGLYPSG-CQSZACIVSA-N 1 0 378.229 2.924 20 0 GFADRO CCS(=O)(=O)NCC[NH2+][C@H]1c2cc(Br)ccc2CC1(C)C ZINC000429310181 563513932 /nfs/dbraw/zinc/51/39/32/563513932.db2.gz SZDRZQZXHJUCDU-AWEZNQCLSA-N 1 0 375.332 2.601 20 0 GFADRO C[C@H](NC(=O)N(CC[NH3+])CCc1ccccc1)c1ncc(Br)cn1 ZINC000418207962 563213372 /nfs/dbraw/zinc/21/33/72/563213372.db2.gz CMWNDUMMAQPWBV-ZDUSSCGKSA-N 1 0 392.301 2.513 20 0 GFADRO [NH3+]CC[C@@H](NC(=O)N[C@H]1C[C@H](c2ccc(Br)cc2)C1)C(F)F ZINC000418205637 563213439 /nfs/dbraw/zinc/21/34/39/563213439.db2.gz RVZLUNHXMBVNIA-RAIGVLPGSA-N 1 0 376.245 2.977 20 0 GFADRO COCCC[N@@H+]1CCCN(C(=O)c2c(F)ccc(Br)c2F)CC1 ZINC000369486043 563215629 /nfs/dbraw/zinc/21/56/29/563215629.db2.gz SZMZAQZONQHGCQ-UHFFFAOYSA-N 1 0 391.256 2.912 20 0 GFADRO C[NH2+]CCCNC(=O)N1CCC[C@@H]1c1ccccc1I ZINC000418311979 563215800 /nfs/dbraw/zinc/21/58/00/563215800.db2.gz SEIHQHSBMMPBED-CQSZACIVSA-N 1 0 387.265 2.747 20 0 GFADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)c1cc(Cl)c(Br)cc1F ZINC000294760517 563216258 /nfs/dbraw/zinc/21/62/58/563216258.db2.gz YDTLMHCQFIOMCH-SNVBAGLBSA-N 1 0 392.700 2.607 20 0 GFADRO C[NH2+]C[C@@H](C)CNC(=O)N(CCOC)Cc1cc(Br)cs1 ZINC000418365736 563216231 /nfs/dbraw/zinc/21/62/31/563216231.db2.gz FFODHTAKTJYQCO-LLVKDONJSA-N 1 0 378.336 2.524 20 0 GFADRO O=C(N[C@H]1CCC[NH2+]C1)N1CCC[C@@H]1c1ccc(I)cc1 ZINC000418387986 563216573 /nfs/dbraw/zinc/21/65/73/563216573.db2.gz UPYYZXMYVDUZQT-LSDHHAIUSA-N 1 0 399.276 2.890 20 0 GFADRO C[NH2+]C[C@@H](C)CNC(=O)N1CCO[C@H](c2ccc(F)c(Br)c2)C1 ZINC000418368748 563216603 /nfs/dbraw/zinc/21/66/03/563216603.db2.gz SQHSTCFIJDSNQP-ABAIWWIYSA-N 1 0 388.281 2.527 20 0 GFADRO C[NH2+]C[C@H](C)CNC(=O)N(CCOC)Cc1ccc(Br)s1 ZINC000418361723 563216677 /nfs/dbraw/zinc/21/66/77/563216677.db2.gz ATWIVIQASOVUBO-NSHDSACASA-N 1 0 378.336 2.524 20 0 GFADRO COc1cc(Br)c(C(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)cc1OC ZINC000294812724 563217642 /nfs/dbraw/zinc/21/76/42/563217642.db2.gz FZGSDDRPQZCGQW-GFCCVEGCSA-N 1 0 385.302 2.880 20 0 GFADRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1c(Br)cnn1C ZINC000294807654 563217659 /nfs/dbraw/zinc/21/76/59/563217659.db2.gz BURVQYWPUBBFSD-XJKSGUPXSA-N 1 0 391.313 2.823 20 0 GFADRO [NH3+][C@@H](CNC(=O)N(CCO)Cc1cc(Br)cs1)c1ccccc1 ZINC000418437097 563217749 /nfs/dbraw/zinc/21/77/49/563217749.db2.gz XXKOHKHYBXTPSS-HNNXBMFYSA-N 1 0 398.326 2.715 20 0 GFADRO C[C@@H]1[C@@H](c2ccc(Br)cc2)OCCN1C(=O)N[C@H](C[NH3+])C1CC1 ZINC000418468487 563217767 /nfs/dbraw/zinc/21/77/67/563217767.db2.gz OWRBCHKMUMLZSK-LYRGGWFBSA-N 1 0 382.302 2.658 20 0 GFADRO [NH3+]C[C@H](NC(=O)N1CCC[C@@H]1c1ccc(I)cc1)C1CC1 ZINC000418475587 563217918 /nfs/dbraw/zinc/21/79/18/563217918.db2.gz SUVMDJZQJHTDKM-LSDHHAIUSA-N 1 0 399.276 2.875 20 0 GFADRO O=C(c1ccn([C@H]2CCC[NH2+]C2)n1)N1CCO[C@H](c2ccc(Cl)s2)C1 ZINC000369580217 563217974 /nfs/dbraw/zinc/21/79/74/563217974.db2.gz YBVYUIIJZSLAOY-JSGCOSHPSA-N 1 0 380.901 2.736 20 0 GFADRO [NH3+]CCCCNC(=O)N1CCN(c2ccc(C(F)(F)F)cc2Cl)CC1 ZINC000418527968 563219201 /nfs/dbraw/zinc/21/92/01/563219201.db2.gz OPQBFWVFFIYKQR-UHFFFAOYSA-N 1 0 378.826 2.929 20 0 GFADRO COCC[NH2+]CCNC(=O)N(C)C[C@H](C)Oc1ccc(Cl)c(Cl)c1 ZINC000418515870 563219591 /nfs/dbraw/zinc/21/95/91/563219591.db2.gz YWAXLPLQEJCOSM-LBPRGKRZSA-N 1 0 378.300 2.638 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H](NC(=O)N[C@@H](CO)c2ccc(Cl)cc2C(F)(F)F)C1 ZINC000418575309 563220065 /nfs/dbraw/zinc/22/00/65/563220065.db2.gz GXNHLIVXFRMCSU-GYSYKLTISA-N 1 0 379.810 2.961 20 0 GFADRO [NH3+][C@H]1CCC[C@@H](NC(=O)N2CCN(Cc3ccc(Br)cc3)CC2)C1 ZINC000418573999 563220288 /nfs/dbraw/zinc/22/02/88/563220288.db2.gz VAOWRWHPKPGZEC-DLBZAZTESA-N 1 0 395.345 2.546 20 0 GFADRO C[C@H]1C[C@@H](NC(=O)NC(C)(C)COc2ncc(Cl)cc2Cl)CC[NH2+]1 ZINC000418591631 563220668 /nfs/dbraw/zinc/22/06/68/563220668.db2.gz CQBHPPJYCZEDKV-JQWIXIFHSA-N 1 0 375.300 2.986 20 0 GFADRO CCn1nc(C)c(S(=O)(=O)NC[C@H]2CC[N@H+](C)[C@@H]2c2cccs2)c1C ZINC000369674058 563221199 /nfs/dbraw/zinc/22/11/99/563221199.db2.gz MWKMJCWDKHMURH-ZBFHGGJFSA-N 1 0 382.555 2.553 20 0 GFADRO Cc1cc(Br)cn2cc(CCNC(=O)c3cnn(C)c3Cl)nc12 ZINC000294916669 563221372 /nfs/dbraw/zinc/22/13/72/563221372.db2.gz JMESSGYYVWVGKJ-UHFFFAOYSA-N 1 0 396.676 2.765 20 0 GFADRO COC[C@@]1(CNC(=O)NC2(Cc3ccccc3Br)CC2)CCC[NH2+]1 ZINC000418629167 563221574 /nfs/dbraw/zinc/22/15/74/563221574.db2.gz DECFEFFWDQHLES-SFHVURJKSA-N 1 0 396.329 2.592 20 0 GFADRO [NH3+]C[C@@H](NC(=O)N(CCO)Cc1cc(Br)cs1)C1CCCC1 ZINC000418627963 563221666 /nfs/dbraw/zinc/22/16/66/563221666.db2.gz VCKDVIHZQQMUHK-CQSZACIVSA-N 1 0 390.347 2.532 20 0 GFADRO O=C(N[C@@H]1C[C@H]1C1CC[NH2+]CC1)N1CCc2cccc(Br)c2C1 ZINC000418662949 563222147 /nfs/dbraw/zinc/22/21/47/563222147.db2.gz VQGNADXTQTVBRA-WMLDXEAASA-N 1 0 378.314 2.905 20 0 GFADRO CN(CCn1cc(Br)cn1)C(=O)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000418682235 563222280 /nfs/dbraw/zinc/22/22/80/563222280.db2.gz VYQJWEQRNRIOAC-INIZCTEOSA-N 1 0 394.317 2.767 20 0 GFADRO COC[C@@]1(CNC(=O)N(C)Cc2ccc(Br)cc2C)CCC[NH2+]1 ZINC000418654756 563222363 /nfs/dbraw/zinc/22/23/63/563222363.db2.gz MQLTUNKFJUNQJQ-KRWDZBQOSA-N 1 0 384.318 2.668 20 0 GFADRO C[C@@H](CCCC[NH3+])NC(=O)NC[C@H](O)COc1cccc(Cl)c1Cl ZINC000418693610 563223035 /nfs/dbraw/zinc/22/30/35/563223035.db2.gz KBBWAKDSWWJGJI-RYUDHWBXSA-N 1 0 378.300 2.550 20 0 GFADRO CC[C@@H]([NH3+])CNC(=O)N1CCC(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000418737123 563223354 /nfs/dbraw/zinc/22/33/54/563223354.db2.gz VEVUVBAZAZGUTR-CQSZACIVSA-N 1 0 397.317 2.547 20 0 GFADRO O=C(COc1ccc(Br)cc1F)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000369773716 563223985 /nfs/dbraw/zinc/22/39/85/563223985.db2.gz QJAHNAXLBPKINJ-SWLSCSKDSA-N 1 0 385.277 2.958 20 0 GFADRO O=C(COc1ccc(Br)cc1F)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000369773717 563224171 /nfs/dbraw/zinc/22/41/71/563224171.db2.gz QJAHNAXLBPKINJ-WFASDCNBSA-N 1 0 385.277 2.958 20 0 GFADRO O=C(NCCC[C@@H]1CCC[NH2+]1)N1CCC(n2cc(Br)cn2)CC1 ZINC000418753652 563224316 /nfs/dbraw/zinc/22/43/16/563224316.db2.gz VRTIXOHTMGTABF-AWEZNQCLSA-N 1 0 384.322 2.524 20 0 GFADRO C[NH2+]CCC1CCN(C(=O)C(=O)NCCc2cccc(Cl)c2Cl)CC1 ZINC000418760651 563224534 /nfs/dbraw/zinc/22/45/34/563224534.db2.gz JNRGKRNCPBZLHR-UHFFFAOYSA-N 1 0 386.323 2.500 20 0 GFADRO CC[C@@H](CN(C)C(=O)NC[C@H]1C[NH2+]CCO1)Oc1ccc(Cl)c(Cl)c1 ZINC000418771047 563225109 /nfs/dbraw/zinc/22/51/09/563225109.db2.gz RHCXTZQMJRRQGA-GXTWGEPZSA-N 1 0 390.311 2.781 20 0 GFADRO CC(C)(NC(=O)N[C@@H]1C[NH2+]CCC1(F)F)c1ccccc1Br ZINC000418767197 563225174 /nfs/dbraw/zinc/22/51/74/563225174.db2.gz QAYUNICPPWVZSR-GFCCVEGCSA-N 1 0 376.245 2.981 20 0 GFADRO CCCN(C(=O)NC[C@H]1C[NH2+]CCN1C)[C@@H](C)c1ccccc1Br ZINC000418766882 563225244 /nfs/dbraw/zinc/22/52/44/563225244.db2.gz QIFYCPRXGUOBIO-LSDHHAIUSA-N 1 0 397.361 2.835 20 0 GFADRO O=C(N[C@H]1C[NH2+]CCC1(F)F)N1CCc2c(Br)ccc(F)c2C1 ZINC000418762931 563225321 /nfs/dbraw/zinc/22/53/21/563225321.db2.gz MWEMZWORWLMHOY-ZDUSSCGKSA-N 1 0 392.219 2.653 20 0 GFADRO CN(C)c1ncc(CNC(=O)c2cc(Cl)c(F)cc2Br)n1C ZINC000295006060 563225461 /nfs/dbraw/zinc/22/54/61/563225461.db2.gz WTFBYMJEENYILH-UHFFFAOYSA-N 1 0 389.656 2.971 20 0 GFADRO O=C(N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)N1CCc2c(Br)cccc2C1 ZINC000418792108 563225740 /nfs/dbraw/zinc/22/57/40/563225740.db2.gz NJIIHSBWCLQOQF-NWANDNLSSA-N 1 0 378.314 2.905 20 0 GFADRO C[C@@H]([NH3+])C1CCN(C(=O)C(=O)N[C@@H]2C[C@H]2c2ccc(Cl)cc2Cl)CC1 ZINC000418812336 563226005 /nfs/dbraw/zinc/22/60/05/563226005.db2.gz BFVGMKYZYWPWNI-FUEDEBDSSA-N 1 0 384.307 2.551 20 0 GFADRO C[C@H]([NH3+])C1CCN(C(=O)C(=O)N[C@@H]2C[C@H]2c2ccc(Cl)cc2Cl)CC1 ZINC000418812337 563226444 /nfs/dbraw/zinc/22/64/44/563226444.db2.gz BFVGMKYZYWPWNI-JMPLFQLZSA-N 1 0 384.307 2.551 20 0 GFADRO O=C(CC[N@H+]1CCC[C@@H]([C@H](O)C(F)(F)F)C1)N1CCc2sccc2C1 ZINC000277791330 563226779 /nfs/dbraw/zinc/22/67/79/563226779.db2.gz OQTAETLOMDJBBT-CJNGLKHVSA-N 1 0 376.444 2.658 20 0 GFADRO C[C@H](NC(=O)C(=O)N1CC[C@@](C)(C[NH3+])C1)c1cc(F)c(Cl)cc1Cl ZINC000418833263 563227196 /nfs/dbraw/zinc/22/71/96/563227196.db2.gz IAIBQTKIEHBXMT-FVMDXXJSSA-N 1 0 376.259 2.507 20 0 GFADRO C[C@H](NC(=O)C(=O)N1C[C@H](C[NH3+])C[C@@H]1C)c1cc(F)c(Cl)cc1Cl ZINC000418856521 563227950 /nfs/dbraw/zinc/22/79/50/563227950.db2.gz XARJKGYGGVACPG-GUBZILKMSA-N 1 0 376.259 2.505 20 0 GFADRO C[C@H](NC(=O)C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1)c1cc(F)c(Cl)cc1Cl ZINC000418852562 563228135 /nfs/dbraw/zinc/22/81/35/563228135.db2.gz RCUHSXXAQAYIEX-IVZWLZJFSA-N 1 0 376.259 2.553 20 0 GFADRO [NH3+]C[C@H]1CC[C@@H](NC(=O)C(=O)N[C@H]2C[C@H](c3ccc(Cl)c(Cl)c3)C2)C1 ZINC000418889453 563229328 /nfs/dbraw/zinc/22/93/28/563229328.db2.gz HQUJFDLLSQTSDL-DEQVHRJGSA-N 1 0 384.307 2.599 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CNC(=O)[C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC000370005538 563230968 /nfs/dbraw/zinc/23/09/68/563230968.db2.gz AEJOOMFVYSQYLN-DZGCQCFKSA-N 1 0 394.313 2.687 20 0 GFADRO OCCC[N@@H+]1CCC[C@H](Nc2nc(C(F)(F)F)c(Br)s2)C1 ZINC000418959276 563231581 /nfs/dbraw/zinc/23/15/81/563231581.db2.gz ZBPDHYBFAIDWLM-QMMMGPOBSA-N 1 0 388.253 3.183 20 0 GFADRO C[C@@H](NC(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1)c1cc(Cl)ccc1Cl ZINC000418953998 563231613 /nfs/dbraw/zinc/23/16/13/563231613.db2.gz MXDZRTXDGNLDNL-AZLWOZFGSA-N 1 0 384.307 2.756 20 0 GFADRO CC[NH+](CC)Cc1ccccc1CNC(=O)c1c(Br)cnn1C ZINC000295171686 563232478 /nfs/dbraw/zinc/23/24/78/563232478.db2.gz LOAODXSZLXVQGA-UHFFFAOYSA-N 1 0 379.302 2.954 20 0 GFADRO O=C(NCC[C@@H]1CCC[NH2+]C1)C(=O)N[C@@H]1CCc2c1ccc(Cl)c2Cl ZINC000419093363 563233120 /nfs/dbraw/zinc/23/31/20/563233120.db2.gz IWXXLICSKVBGHP-XHDPSFHLSA-N 1 0 384.307 2.603 20 0 GFADRO [NH3+]CC[C@H]1CCCN(C(=O)C(=O)N[C@@H]2CCc3c2ccc(Cl)c3Cl)C1 ZINC000419091372 563233166 /nfs/dbraw/zinc/23/31/66/563233166.db2.gz GLYSVPZHEIVSMF-IAQYHMDHSA-N 1 0 384.307 2.684 20 0 GFADRO [NH3+]CC[C@H]1CCCN(C(=O)C(=O)N[C@H]2CCc3c2ccc(Cl)c3Cl)C1 ZINC000419091369 563233171 /nfs/dbraw/zinc/23/31/71/563233171.db2.gz GLYSVPZHEIVSMF-ABAIWWIYSA-N 1 0 384.307 2.684 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CCc3c2ccc(Cl)c3Cl)C1 ZINC000419089277 563233279 /nfs/dbraw/zinc/23/32/79/563233279.db2.gz CPKBAZGBPKKAPC-FIXISWKDSA-N 1 0 384.307 2.683 20 0 GFADRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)N[C@H]1CCc2c1ccc(Cl)c2Cl ZINC000419108251 563233728 /nfs/dbraw/zinc/23/37/28/563233728.db2.gz XJFXFSUHTIDTFZ-LKTVYLICSA-N 1 0 384.307 2.731 20 0 GFADRO O=C(NCCC1=CC[NH2+]CC1)C(=O)N[C@@H]1CCc2c1ccc(Cl)c2Cl ZINC000419109355 563233868 /nfs/dbraw/zinc/23/38/68/563233868.db2.gz YKKOGFWEHNFTPF-OAHLLOKOSA-N 1 0 382.291 2.523 20 0 GFADRO C[NH2+]C[C@H](C)CNC(=O)C(=O)N[C@H](c1ccsc1)c1ccc(Cl)cc1 ZINC000419124830 563233916 /nfs/dbraw/zinc/23/39/16/563233916.db2.gz JACCPJGKBUDOBC-LRDDRELGSA-N 1 0 379.913 2.579 20 0 GFADRO C[NH2+]CCC1CCN(C(=O)C(=O)NCCc2cc(Cl)cc(Cl)c2)CC1 ZINC000419144318 563234369 /nfs/dbraw/zinc/23/43/69/563234369.db2.gz GQPTWCUCYUIFHP-UHFFFAOYSA-N 1 0 386.323 2.500 20 0 GFADRO C[NH2+]C[C@H](C)CNC(=O)C(=O)NCC1(c2ccc(Cl)cc2Cl)CCC1 ZINC000419133737 563234372 /nfs/dbraw/zinc/23/43/72/563234372.db2.gz GGNXMDWEJHOLGJ-LBPRGKRZSA-N 1 0 386.323 2.503 20 0 GFADRO CC[NH2+][C@H](C)CNC(=O)C(=O)N[C@@H](c1ccsc1)c1ccc(Cl)cc1 ZINC000419128803 563234589 /nfs/dbraw/zinc/23/45/89/563234589.db2.gz XCRMWDUGPCIFME-MLGOLLRUSA-N 1 0 379.913 2.721 20 0 GFADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+]C[C@H]1CCCCO1 ZINC000295212059 563235427 /nfs/dbraw/zinc/23/54/27/563235427.db2.gz ARAHYCJFCALBFZ-IUODEOHRSA-N 1 0 385.302 2.621 20 0 GFADRO O=C(Cc1cc[nH]c(=O)c1Br)NCCCCC[NH+]1CCCCC1 ZINC000277986193 563235336 /nfs/dbraw/zinc/23/53/36/563235336.db2.gz MUOAVRPQXFCFDY-UHFFFAOYSA-N 1 0 384.318 2.865 20 0 GFADRO COCCC[N@@H+]1CCCN([C@H](C)C(=O)Nc2ccccc2Br)CC1 ZINC000370170054 563235553 /nfs/dbraw/zinc/23/55/53/563235553.db2.gz SEIZONTVJGWBLW-OAHLLOKOSA-N 1 0 398.345 2.820 20 0 GFADRO [NH3+]CC[C@H]1CCCN(C(=O)C(=O)N[C@H]2CCSc3ccc(Cl)cc32)C1 ZINC000419223694 563235639 /nfs/dbraw/zinc/23/56/39/563235639.db2.gz YTEWILZGHCHNRA-DOMZBBRYSA-N 1 0 381.929 2.581 20 0 GFADRO O=C(c1ccco1)N1CCC([NH2+]C[C@H](O)c2cccc(Br)c2)CC1 ZINC000370230882 563236784 /nfs/dbraw/zinc/23/67/84/563236784.db2.gz AHUCGHDUKYNDQD-INIZCTEOSA-N 1 0 393.281 2.970 20 0 GFADRO C[NH+](C)C1(CNC(=O)C(F)(F)c2ccccc2Br)CCOCC1 ZINC000295244554 563238437 /nfs/dbraw/zinc/23/84/37/563238437.db2.gz MCHKUNUSGJVUHB-UHFFFAOYSA-N 1 0 391.256 2.768 20 0 GFADRO O=C1CC[C@@H]([NH2+]Cc2nc(-c3cccc(Br)c3)c[nH]2)[C@@H](C2CC2)N1 ZINC000370263664 563238822 /nfs/dbraw/zinc/23/88/22/563238822.db2.gz ZUNVEFXWXSYWOC-RDTXWAMCSA-N 1 0 389.297 2.986 20 0 GFADRO COCCO[C@@H]1C[C@@H](CO)C[N@H+](CCOc2cc(Cl)cc(Cl)c2)C1 ZINC000278063201 563238835 /nfs/dbraw/zinc/23/88/35/563238835.db2.gz FQAAZNUTYIDOKS-CXAGYDPISA-N 1 0 378.296 2.718 20 0 GFADRO Cc1ccc(C(=O)N[C@H]2CCc3[nH]cnc3C2)cc1I ZINC000370339680 563240341 /nfs/dbraw/zinc/24/03/41/563240341.db2.gz AELASXGKRQUXJG-NSHDSACASA-N 1 0 381.217 2.610 20 0 GFADRO O=C(Cc1sccc1Br)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000295283861 563240417 /nfs/dbraw/zinc/24/04/17/563240417.db2.gz MWSPPCUEEZSOBV-CYBMUJFWSA-N 1 0 387.343 2.624 20 0 GFADRO Cc1cc(NC(=O)[C@@H](C)N(C)C[C@@H](O)c2ccccc2Br)on1 ZINC000295322230 563241808 /nfs/dbraw/zinc/24/18/08/563241808.db2.gz MDOXKDAOPFSDAC-BXUZGUMPSA-N 1 0 382.258 2.738 20 0 GFADRO O=C(CN1CC[NH+]([C@H]2CCSC2)CC1)Nc1nc(-c2cccs2)cs1 ZINC000370405587 563242670 /nfs/dbraw/zinc/24/26/70/563242670.db2.gz KHKHHUCNTKOYCD-ZDUSSCGKSA-N 1 0 394.591 2.933 20 0 GFADRO Cc1ccc(NC(=O)C(=O)NCC2CC[NH+](C3CC3)CC2)c(Br)c1 ZINC000278157342 563243479 /nfs/dbraw/zinc/24/34/79/563243479.db2.gz IISQUVPGGPUHME-UHFFFAOYSA-N 1 0 394.313 2.687 20 0 GFADRO Cc1nn(C)c(C[NH2+]C2CCN(Cc3cscn3)CC2)c1Br ZINC000370505932 563246231 /nfs/dbraw/zinc/24/62/31/563246231.db2.gz AGLOOQGDXRYTNA-UHFFFAOYSA-N 1 0 384.347 2.702 20 0 GFADRO Cc1c2cc(Cl)ccc2sc1CNC(=O)C(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000419704646 563246624 /nfs/dbraw/zinc/24/66/24/563246624.db2.gz HVXMFCCFPOJXMU-HZMBPMFUSA-N 1 0 379.913 2.594 20 0 GFADRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)Cc2cc[nH]c(=O)c2Br)C1 ZINC000278253682 563246766 /nfs/dbraw/zinc/24/67/66/563246766.db2.gz ZDTSMIPPCBRANT-ZIAGYGMSSA-N 1 0 398.345 2.967 20 0 GFADRO CCC(=O)c1ccc(Cl)c(S(=O)(=O)N2CC[C@@H](c3nccn3C)C2)c1 ZINC000370557195 563247946 /nfs/dbraw/zinc/24/79/46/563247946.db2.gz XVQGMCMJQXAAAH-CYBMUJFWSA-N 1 0 381.885 2.844 20 0 GFADRO O=C(NCc1ccc(Cl)cc1Cl)C(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000419789623 563251281 /nfs/dbraw/zinc/25/12/81/563251281.db2.gz CPSUNALDPKHCOI-UHFFFAOYSA-N 1 0 384.307 2.602 20 0 GFADRO C[C@@H]1C[N@H+](CCCNC(=O)Cc2ccc(Br)s2)CCCO1 ZINC000278412770 563254391 /nfs/dbraw/zinc/25/43/91/563254391.db2.gz FKOBVMROSDVKTJ-GFCCVEGCSA-N 1 0 375.332 2.670 20 0 GFADRO Nc1cc2c(nn1)CCN(Cc1cc(Br)ccc1OC(F)F)C2 ZINC000370791601 563255602 /nfs/dbraw/zinc/25/56/02/563255602.db2.gz XXHGDECUEGARBG-UHFFFAOYSA-N 1 0 385.212 2.981 20 0 GFADRO C[C@@H](CC(=O)NC[C@](C)(O)CC[NH+](C)C)c1ccc(F)c(Br)c1 ZINC000419998075 563255871 /nfs/dbraw/zinc/25/58/71/563255871.db2.gz MMSMZJUOYWZFJU-YVEFUNNKSA-N 1 0 389.309 2.901 20 0 GFADRO C[N@H+](CCCCN1C(=O)N[C@H](c2ccc(Br)cc2)C1=O)C1CC1 ZINC000420034580 563256921 /nfs/dbraw/zinc/25/69/21/563256921.db2.gz CNFOTAXQXQXCKG-OAHLLOKOSA-N 1 0 380.286 2.916 20 0 GFADRO CN(C(=O)Cc1cccc(Br)c1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000370847285 563257562 /nfs/dbraw/zinc/25/75/62/563257562.db2.gz ZEAMQLPDXIRUBV-SFHVURJKSA-N 1 0 394.357 2.619 20 0 GFADRO CC(C)[C@@H](C(=O)NCc1c(Br)cncc1Br)[NH+](C)C ZINC000295680993 563258152 /nfs/dbraw/zinc/25/81/52/563258152.db2.gz IQQIRUJTECBCBD-LBPRGKRZSA-N 1 0 393.123 2.809 20 0 GFADRO CCCC[C@H](C[NH3+])NC(=O)C(=O)N(Cc1cccc(Br)c1)C(C)C ZINC000420127099 563258963 /nfs/dbraw/zinc/25/89/63/563258963.db2.gz RIPWRPRNYHLILK-MRXNPFEDSA-N 1 0 398.345 2.820 20 0 GFADRO COc1cccc(N2CC[C@H](C[NH2+]Cc3c(Br)cnn3C)C2)c1 ZINC000278502199 563259625 /nfs/dbraw/zinc/25/96/25/563259625.db2.gz NRZLYENWFVTHNZ-CYBMUJFWSA-N 1 0 379.302 2.807 20 0 GFADRO C[C@@H]1C[N@H+](CCCNC(=O)c2cccnc2SC(F)(F)F)CCCO1 ZINC000278519097 563260184 /nfs/dbraw/zinc/26/01/84/563260184.db2.gz MRNXVXLHNSQSNE-GFCCVEGCSA-N 1 0 377.432 2.924 20 0 GFADRO Cc1cn2c(n1)[C@H](CNC(=O)c1sccc1S(=O)(=O)C(F)F)CCC2 ZINC000370951806 563260407 /nfs/dbraw/zinc/26/04/07/563260407.db2.gz BEKHHNDBPABHTJ-JTQLQIEISA-N 1 0 389.449 2.557 20 0 GFADRO CN(Cc1cc(Br)cs1)C(=O)CN[C@@H](C[NH3+])C1CCCCC1 ZINC000420376631 563262733 /nfs/dbraw/zinc/26/27/33/563262733.db2.gz VIMGVQJLJXAHOE-HNNXBMFYSA-N 1 0 388.375 2.966 20 0 GFADRO C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420370295 563263061 /nfs/dbraw/zinc/26/30/61/563263061.db2.gz LGAFWKZDLKSCCU-HNAYVOBHSA-N 1 0 394.357 2.872 20 0 GFADRO COC(=O)c1ccc(C[N@@H+]2CC[C@H](C(=O)NCC(F)(F)F)C2)cc1Cl ZINC000295802804 563263330 /nfs/dbraw/zinc/26/33/30/563263330.db2.gz SOMATXXIZXEELN-NSHDSACASA-N 1 0 378.778 2.627 20 0 GFADRO C[C@@H]1CCN(Cc2nc(Cc3cccc(Br)c3)no2)C[C@H]1C[NH3+] ZINC000420415701 563263877 /nfs/dbraw/zinc/26/38/77/563263877.db2.gz VCGIWYVRRNQLJX-TZMCWYRMSA-N 1 0 379.302 2.840 20 0 GFADRO [NH3+][C@@H]1CN(S(=O)(=O)c2cccc(Br)c2)C[C@H]1c1cccc(F)c1 ZINC000420467260 563264339 /nfs/dbraw/zinc/26/43/39/563264339.db2.gz CNMGYFYXDXMRQF-JKSUJKDBSA-N 1 0 399.285 2.704 20 0 GFADRO Cc1cc(S(=O)(=O)N2CCCC[C@H]2[C@H]2CC[NH2+]C2)ccc1Br ZINC000420466386 563264391 /nfs/dbraw/zinc/26/43/91/563264391.db2.gz RHBWMFXSPVLHKH-BBRMVZONSA-N 1 0 387.343 2.910 20 0 GFADRO Cc1sc(Br)cc1S(=O)(=O)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420458207 563264561 /nfs/dbraw/zinc/26/45/61/563264561.db2.gz IRMYVHNIJGSUIN-VXGBXAGGSA-N 1 0 393.372 2.972 20 0 GFADRO Cc1ccc(S(=O)(=O)N2CCCC[C@H]2[C@H]2CC[NH2+]C2)c(Br)c1 ZINC000420470765 563265165 /nfs/dbraw/zinc/26/51/65/563265165.db2.gz XNVIDQHXAFBYGJ-ZFWWWQNUSA-N 1 0 387.343 2.910 20 0 GFADRO C[C@@H]1CCN(S(=O)(=O)c2cc(Cl)ccc2Br)C[C@@H]1C[NH3+] ZINC000420485393 563265764 /nfs/dbraw/zinc/26/57/64/563265764.db2.gz ZYNLQQCWNKEGBA-ZJUUUORDSA-N 1 0 381.723 2.708 20 0 GFADRO NC(=O)c1csc(C[NH2+][C@H]2CCN(c3cccc(Br)c3)C2)c1 ZINC000278705352 563267480 /nfs/dbraw/zinc/26/74/80/563267480.db2.gz JYHJHNAYFNNCDV-ZDUSSCGKSA-N 1 0 380.311 2.978 20 0 GFADRO C[C@@H]1CN(C(=O)c2ccc(F)cc2Br)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000371216638 563268630 /nfs/dbraw/zinc/26/86/30/563268630.db2.gz AMKROZQMEDSRKS-DYVFJYSZSA-N 1 0 398.320 2.686 20 0 GFADRO COC(=O)c1cc(N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)c2cc(Br)ccc2n1 ZINC000278756489 563269186 /nfs/dbraw/zinc/26/91/86/563269186.db2.gz NFPZULDBBCMSEH-TXEJJXNPSA-N 1 0 390.281 2.782 20 0 GFADRO O=C(CNC(=O)c1ccc(Cl)c(Cl)c1)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000371238945 563269907 /nfs/dbraw/zinc/26/99/07/563269907.db2.gz YGNKZEDSFIBZGG-XJKSGUPXSA-N 1 0 384.307 2.714 20 0 GFADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C[C@H](O)c1ccccc1Br ZINC000278792088 563270919 /nfs/dbraw/zinc/27/09/19/563270919.db2.gz YEUJKKKJZLKFEO-KDOFPFPSSA-N 1 0 383.330 2.668 20 0 GFADRO C[C@@H]1CN(C(=O)c2cc(Cl)c(N)c(Cl)c2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000371362827 563274205 /nfs/dbraw/zinc/27/42/05/563274205.db2.gz XZISJVKJIYTHRX-MLGOLLRUSA-N 1 0 385.339 2.674 20 0 GFADRO C[N@@H+]1CCC[C@H]2CN(S(=O)(=O)c3cc(F)ccc3OC(F)F)CC[C@@H]21 ZINC000420705058 563276863 /nfs/dbraw/zinc/27/68/63/563276863.db2.gz WICUNAZDOBZNGS-AAEUAGOBSA-N 1 0 378.416 2.532 20 0 GFADRO CC[NH+]1CCN(CCCNC(=O)c2ccc(Br)c(C)c2F)CC1 ZINC000278953223 563277351 /nfs/dbraw/zinc/27/73/51/563277351.db2.gz GWCCEVCHFPORSR-UHFFFAOYSA-N 1 0 386.309 2.654 20 0 GFADRO Cc1cc(I)ccc1NC(=O)c1cc([C@@H]2CC[NH2+]C2)[nH]n1 ZINC000279000139 563279696 /nfs/dbraw/zinc/27/96/96/563279696.db2.gz MEPFSPOPALMOBJ-SNVBAGLBSA-N 1 0 396.232 2.652 20 0 GFADRO COC[C@@H]([NH2+]CC(=O)N(C)Cc1ccc(Cl)c(Cl)c1)[C@@H]1CCCO1 ZINC000279042572 563281593 /nfs/dbraw/zinc/28/15/93/563281593.db2.gz JMIWVJYLZFFNGB-CVEARBPZSA-N 1 0 375.296 2.735 20 0 GFADRO C[NH+]1CCC(C)(CNC(=O)[C@@H]2CCCN2C(=O)c2ccc(Cl)s2)CC1 ZINC000371575955 563281651 /nfs/dbraw/zinc/28/16/51/563281651.db2.gz SHCJHRSWCMXGOY-ZDUSSCGKSA-N 1 0 383.945 2.854 20 0 GFADRO Cc1ccc(NC(=O)c2cc([C@@H]3CC[NH2+]C3)[nH]n2)cc1I ZINC000279062988 563282558 /nfs/dbraw/zinc/28/25/58/563282558.db2.gz SOGBQYQBUKALAJ-SNVBAGLBSA-N 1 0 396.232 2.652 20 0 GFADRO Cc1cc(NC(=O)C(=O)NC2CC[NH+](C3CCC3)CC2)ccc1Br ZINC000296338762 563283964 /nfs/dbraw/zinc/28/39/64/563283964.db2.gz YQGCYHVULKKCGD-UHFFFAOYSA-N 1 0 394.313 2.829 20 0 GFADRO COc1cc(OC)c(CC[NH2+]Cc2c(Br)c(C)nn2C)c(OC)c1 ZINC000279105771 563284552 /nfs/dbraw/zinc/28/45/52/563284552.db2.gz JTJGFNGQMQBBCG-UHFFFAOYSA-N 1 0 398.301 2.849 20 0 GFADRO C[C@H](CNC(=O)N(C)C[C@H]1CCC[N@@H+]1C)Oc1ccc(Br)cc1 ZINC000420785710 563285449 /nfs/dbraw/zinc/28/54/49/563285449.db2.gz AMWQOHWCZXAYDW-UKRRQHHQSA-N 1 0 384.318 2.952 20 0 GFADRO CCOc1cc(C[N@@H+]2CCSCC[C@H]2C)nc2nc(C(F)(F)F)nn21 ZINC000279232457 563288610 /nfs/dbraw/zinc/28/86/10/563288610.db2.gz JGHHMJSRDKXMOP-SNVBAGLBSA-N 1 0 375.420 2.869 20 0 GFADRO C[N@H+]1C[C@H]2CN(C(=O)C3(c4ccc(Br)cc4)CCOCC3)C[C@H]2C1 ZINC000279269492 563289917 /nfs/dbraw/zinc/28/99/17/563289917.db2.gz YTUSONYXEXRLBK-GASCZTMLSA-N 1 0 393.325 2.517 20 0 GFADRO Cc1noc(C2CCC([NH2+][C@@H](C(N)=O)c3ccc(Br)cc3)CC2)n1 ZINC000371918478 563291247 /nfs/dbraw/zinc/29/12/47/563291247.db2.gz LZUIZIOIJOWXSU-PESDSKBTSA-N 1 0 393.285 2.983 20 0 GFADRO COC[C@@]1(C)CC[N@H+](CC(=O)Nc2ccc(I)cc2)C1 ZINC000296588754 563293671 /nfs/dbraw/zinc/29/36/71/563293671.db2.gz FHSLETUBWDWXPY-HNNXBMFYSA-N 1 0 388.249 2.588 20 0 GFADRO Cc1cc(S(=O)(=O)N2C[C@H](C[NH+](C)C)Oc3ccccc32)cnc1Cl ZINC000372016658 563294335 /nfs/dbraw/zinc/29/43/35/563294335.db2.gz HBQRMBYSRFRECG-ZDUSSCGKSA-N 1 0 381.885 2.561 20 0 GFADRO C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@H]1NC(=O)Nc1cccnc1Br ZINC000372104814 563295409 /nfs/dbraw/zinc/29/54/09/563295409.db2.gz BNDOAGAQAFZMKP-MGPQQGTHSA-N 1 0 397.317 2.855 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2C(=O)c1ccc(F)cc1Br ZINC000372164967 563297504 /nfs/dbraw/zinc/29/75/04/563297504.db2.gz OHRZJUJDDDULDA-KCXAZCMYSA-N 1 0 385.277 2.912 20 0 GFADRO C[C@@H](NC(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(Br)cn1 ZINC000279606491 563302642 /nfs/dbraw/zinc/30/26/42/563302642.db2.gz IYLJLWSTGZDCLZ-HZSPNIEDSA-N 1 0 399.333 2.704 20 0 GFADRO Cc1[nH]c(=O)c(C(=O)N2CCC([N@H+]3CCC[C@H]3C)CC2)cc1Br ZINC000372422967 563305283 /nfs/dbraw/zinc/30/52/83/563305283.db2.gz UGCUSOLBSZKVPJ-LLVKDONJSA-N 1 0 382.302 2.947 20 0 GFADRO Cc1[nH]c(=O)c(C(=O)N2CCC([N@H+]3CCC[C@@H]3C)CC2)cc1Br ZINC000372422968 563305354 /nfs/dbraw/zinc/30/53/54/563305354.db2.gz UGCUSOLBSZKVPJ-NSHDSACASA-N 1 0 382.302 2.947 20 0 GFADRO C[N@@H+]1CC[C@@H](CNS(=O)(=O)c2ccc(F)cc2Cl)[C@@H]1c1cccnc1 ZINC000372431931 563305969 /nfs/dbraw/zinc/30/59/69/563305969.db2.gz QCAHMTZGDYKPFM-GUYCJALGSA-N 1 0 383.876 2.845 20 0 GFADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)CCc1cnccn1 ZINC000279684038 563306001 /nfs/dbraw/zinc/30/60/01/563306001.db2.gz PAZYQZWXOJCISO-UHFFFAOYSA-N 1 0 391.313 2.762 20 0 GFADRO CO[C@@H](c1ccccc1)[C@@H](C)[NH2+]CC1CCN(S(=O)(=O)C(F)F)CC1 ZINC000279722487 563307453 /nfs/dbraw/zinc/30/74/53/563307453.db2.gz MMNAJIBQMJACMC-CZUORRHYSA-N 1 0 376.469 2.617 20 0 GFADRO Cc1nnc(N2CCC([NH2+]CC3CCN(CC(F)(F)F)CC3)CC2)s1 ZINC000372463498 563307763 /nfs/dbraw/zinc/30/77/63/563307763.db2.gz LMVFAHRVJYXNCC-UHFFFAOYSA-N 1 0 377.480 2.679 20 0 GFADRO CCCN1C[C@@H](C[NH2+]Cc2cn(-c3ccc(Cl)c(Cl)c3)nn2)CC1=O ZINC000421346012 563307920 /nfs/dbraw/zinc/30/79/20/563307920.db2.gz BUCOMXWLGLQRGP-GFCCVEGCSA-N 1 0 382.295 2.922 20 0 GFADRO CCCN1C[C@@H](C[NH2+]Cc2cc(Br)c(O)c(OCC)c2)CC1=O ZINC000421355043 563308837 /nfs/dbraw/zinc/30/88/37/563308837.db2.gz TUHKBNUOWRYDOA-CYBMUJFWSA-N 1 0 385.302 2.902 20 0 GFADRO NC(=O)[C@H]1CCCN1CCC[NH2+]C1CC(c2ccc(Br)cc2)C1 ZINC000279744413 563308931 /nfs/dbraw/zinc/30/89/31/563308931.db2.gz PIUYFHQIIWGVBO-BDVYOWHSSA-N 1 0 380.330 2.625 20 0 GFADRO CON1CCC([NH2+]Cc2ncc(Br)cc2Br)CC1 ZINC000421401662 563309533 /nfs/dbraw/zinc/30/95/33/563309533.db2.gz UPSVUTWUPGSUIT-UHFFFAOYSA-N 1 0 379.096 2.722 20 0 GFADRO CN(Cc1ccc(Br)cc1N1CCOCC1)C[C@@H]1CCC[N@@H+]1C ZINC000421412460 563309621 /nfs/dbraw/zinc/30/96/21/563309621.db2.gz SPODDXACLKSTTP-KRWDZBQOSA-N 1 0 382.346 2.812 20 0 GFADRO CCc1nnc(CNC(=O)NCc2c(Cl)cccc2-n2ccnc2)s1 ZINC000296960537 563310078 /nfs/dbraw/zinc/31/00/78/563310078.db2.gz GBLZQQNYDDIZJC-UHFFFAOYSA-N 1 0 376.873 2.939 20 0 GFADRO Cc1ccc(F)c(C(=O)NCCCC[N@@H+]2CCC[C@H]2CO)c1Br ZINC000279791312 563311022 /nfs/dbraw/zinc/31/10/22/563311022.db2.gz HSCQWUHCIKHVMA-ZDUSSCGKSA-N 1 0 387.293 2.863 20 0 GFADRO Cc1cc(CC(=O)N(CC[NH+](C)C)Cc2ccc(Br)cc2)n(C)n1 ZINC000421460695 563311973 /nfs/dbraw/zinc/31/19/73/563311973.db2.gz ALTPYSBLLCQOLN-UHFFFAOYSA-N 1 0 393.329 2.624 20 0 GFADRO CC(=O)N1CCC[C@@H](C[NH2+]Cc2cc(Br)c3c(c2)OCCO3)C1 ZINC000279878403 563313949 /nfs/dbraw/zinc/31/39/49/563313949.db2.gz UJUKHIJLVZFOAP-ZDUSSCGKSA-N 1 0 383.286 2.568 20 0 GFADRO COc1cc(/C=C/C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc(Br)c1O ZINC000297135292 563316666 /nfs/dbraw/zinc/31/66/66/563316666.db2.gz UJWLSVWGAQLWGV-QQPIPHOZSA-N 1 0 395.297 2.918 20 0 GFADRO CC[N@H+](CCN[C@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl)C1CC1 ZINC000279999702 563318113 /nfs/dbraw/zinc/31/81/13/563318113.db2.gz FVROAPKSSLZMKO-SNVBAGLBSA-N 1 0 380.341 2.776 20 0 GFADRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)c1ccn(-c2ccc(Br)cc2)n1 ZINC000421712072 563319192 /nfs/dbraw/zinc/31/91/92/563319192.db2.gz PUROPESEOIXFSR-OAHLLOKOSA-N 1 0 377.286 2.801 20 0 GFADRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)c1cc(I)ccc1F ZINC000421710971 563319618 /nfs/dbraw/zinc/31/96/18/563319618.db2.gz NIFMQFKRJCCVGF-LLVKDONJSA-N 1 0 376.213 2.597 20 0 GFADRO C[C@H]([NH2+]C[C@@H]1CC(=O)N(C)[C@H]1c1cnn(C)c1)c1ncc(Br)s1 ZINC000372874770 563320761 /nfs/dbraw/zinc/32/07/61/563320761.db2.gz CMODOTHACDFDAX-PKFCDNJMSA-N 1 0 398.330 2.509 20 0 GFADRO Cc1nn(-c2ccc(C(=O)NCC3CC[NH2+]CC3)cc2)c(C)c1Br ZINC000297259129 563321745 /nfs/dbraw/zinc/32/17/45/563321745.db2.gz RLGGSUVGBKTFLM-UHFFFAOYSA-N 1 0 391.313 2.981 20 0 GFADRO OCc1cn(CCC[NH2+][C@@H](Cc2ccccc2Br)C2CC2)nn1 ZINC000297293674 563323132 /nfs/dbraw/zinc/32/31/32/563323132.db2.gz LYZXIYVHIHUHHN-KRWDZBQOSA-N 1 0 379.302 2.534 20 0 GFADRO O=C([C@@H]1CCN(c2cc(Cl)ccc2Cl)C1=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000372958711 563323464 /nfs/dbraw/zinc/32/34/64/563323464.db2.gz PHTPWGUGWJFAAY-OSAQELSMSA-N 1 0 382.291 2.557 20 0 GFADRO C[C@@H]([NH2+]CCCC(C)(F)F)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000297368577 563324926 /nfs/dbraw/zinc/32/49/26/563324926.db2.gz QICHZXBAMYEYRJ-CQSZACIVSA-N 1 0 376.469 2.794 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+]C[C@@H](CO)[C@@H]1CCOC1 ZINC000280174840 563325859 /nfs/dbraw/zinc/32/58/59/563325859.db2.gz BULHTWUPIWISIZ-ZBFHGGJFSA-N 1 0 394.313 2.678 20 0 GFADRO C[C@@H](CO)[N@@H+]1CCCN(C(=O)c2cc(Cl)cc(Br)c2F)CC1 ZINC000373071384 563327993 /nfs/dbraw/zinc/32/79/93/563327993.db2.gz RYAUEIRZSOOSDW-JTQLQIEISA-N 1 0 393.684 2.770 20 0 GFADRO Cn1cc([C@H]2[C@H](CNC(=O)c3ccoc3Br)CCC[N@@H+]2C)cn1 ZINC000373106168 563328710 /nfs/dbraw/zinc/32/87/10/563328710.db2.gz GEEKMUALINMRAT-SMDDNHRTSA-N 1 0 381.274 2.589 20 0 GFADRO CN(C[C@@H](O)c1ccccc1Br)C(=O)NCCC1CC[NH+](C)CC1 ZINC000297569028 563330007 /nfs/dbraw/zinc/33/00/07/563330007.db2.gz HBOHXMLFTJMOJE-QGZVFWFLSA-N 1 0 398.345 2.856 20 0 GFADRO CNC(=O)CN1CCC([NH2+][C@H](c2ccc(Br)cc2F)C2CC2)CC1 ZINC000280267566 563330039 /nfs/dbraw/zinc/33/00/39/563330039.db2.gz XRGAEWWEVARSIN-SFHVURJKSA-N 1 0 398.320 2.839 20 0 GFADRO C[NH+]1CCC(n2ccc(NC(=O)c3ccc(Br)cc3F)n2)CC1 ZINC000373230180 563332837 /nfs/dbraw/zinc/33/28/37/563332837.db2.gz MWZRFJBYDHYICJ-UHFFFAOYSA-N 1 0 381.249 3.304 20 0 GFADRO CN(Cc1ccc(Cl)s1)C(=O)C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000297694026 563333239 /nfs/dbraw/zinc/33/32/39/563333239.db2.gz CFRORESZMAPDII-UHFFFAOYSA-N 1 0 383.945 2.837 20 0 GFADRO C[N@H+](CCCCNC(=O)C(=O)NCCc1c(Cl)cccc1Cl)C1CC1 ZINC000422270952 563335767 /nfs/dbraw/zinc/33/57/67/563335767.db2.gz PISBIPYJBVQSTF-UHFFFAOYSA-N 1 0 386.323 2.643 20 0 GFADRO Cc1ccc(NC(=O)N[C@@H](c2nccn2C)C(C)(C)CO)c(Br)n1 ZINC000297833300 563337183 /nfs/dbraw/zinc/33/71/83/563337183.db2.gz ZVTKNYGZDIITKT-LBPRGKRZSA-N 1 0 396.289 2.767 20 0 GFADRO Cc1nc2ccc(Br)cn2c1C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000373487806 563340100 /nfs/dbraw/zinc/34/01/00/563340100.db2.gz XQHQDXVPAVZJCO-AWEZNQCLSA-N 1 0 377.286 2.716 20 0 GFADRO C[C@@H]1C[C@H](C)N(S(=O)(=O)c2cc(Cl)ccc2OC(F)F)C[C@H]1C[NH3+] ZINC000422555420 563342805 /nfs/dbraw/zinc/34/28/05/563342805.db2.gz PSDLTNQFWUVTMW-OUAUKWLOSA-N 1 0 382.860 2.935 20 0 GFADRO C[C@@H]([NH2+]CCC(=O)Nc1sccc1C(N)=O)[C@@H]1OCCc2sccc21 ZINC000298091116 563344964 /nfs/dbraw/zinc/34/49/64/563344964.db2.gz IDSAOYNAXJQZDC-BMIGLBTASA-N 1 0 379.507 2.529 20 0 GFADRO CC[C@@H]([NH2+][C@H]1CCc2c[nH]nc2C1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000373643614 563345242 /nfs/dbraw/zinc/34/52/42/563345242.db2.gz XOWWEEOZRJAFHW-DZGCQCFKSA-N 1 0 382.917 2.569 20 0 GFADRO C[C@@H]1C[C@H](C)N(CC(=O)N(C)Cc2cc(Br)cs2)C[C@H]1C[NH3+] ZINC000422639396 563345372 /nfs/dbraw/zinc/34/53/72/563345372.db2.gz SRCBWCHNRAZGPF-FRRDWIJNSA-N 1 0 388.375 2.774 20 0 GFADRO C[C@@H](C[C@@H]1COCCN1)[NH2+]CC1(c2ccc(Br)cc2)CCOCC1 ZINC000422884409 563349693 /nfs/dbraw/zinc/34/96/93/563349693.db2.gz WULOCDPMHPMSDJ-MAUKXSAKSA-N 1 0 397.357 2.854 20 0 GFADRO CCOC(=O)[C@@H]1NCC[C@H]1[NH2+]CCOc1c(Cl)cc(Cl)cc1Cl ZINC000422835364 563350075 /nfs/dbraw/zinc/35/00/75/563350075.db2.gz IMMLACVJIGKFLM-CHWSQXEVSA-N 1 0 381.687 2.909 20 0 GFADRO CO[C@@H](C[NH2+][C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1)C(C)(C)C ZINC000280698947 563350680 /nfs/dbraw/zinc/35/06/80/563350680.db2.gz LFJXITRULKNDPN-HZMBPMFUSA-N 1 0 393.347 2.808 20 0 GFADRO COC(=O)C[C@H](NC(=O)[C@H]1CCC[NH2+][C@@H]1C)c1ccc(Br)cc1 ZINC000423014234 563353430 /nfs/dbraw/zinc/35/34/30/563353430.db2.gz OMJSJBYGOBCCOW-UGFHNGPFSA-N 1 0 383.286 2.558 20 0 GFADRO CC(C)[C@H](CNC(=O)Nc1ccccc1Br)[NH+]1CCN(C)CC1 ZINC000298403127 563353819 /nfs/dbraw/zinc/35/38/19/563353819.db2.gz NGZNTLNPSKXRBF-INIZCTEOSA-N 1 0 383.334 2.843 20 0 GFADRO COC(=O)[C@@H]1CCO[C@H]1C1CCN(Cc2nc(C(F)(F)F)cs2)CC1 ZINC000298417002 563354954 /nfs/dbraw/zinc/35/49/54/563354954.db2.gz XJYRIGAJDWANGU-RISCZKNCSA-N 1 0 378.416 2.952 20 0 GFADRO C[C@@]1(C(N)=O)CC[N@H+](Cc2ccnc(-c3ccc(Br)cc3)n2)C1 ZINC000280812419 563355179 /nfs/dbraw/zinc/35/51/79/563355179.db2.gz TZRPBIONUREAKX-QGZVFWFLSA-N 1 0 375.270 2.603 20 0 GFADRO CN(Cc1c(Cl)cccc1Cl)C(=O)C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000423108520 563355564 /nfs/dbraw/zinc/35/55/64/563355564.db2.gz TWTKGGZCLNBGAP-UHFFFAOYSA-N 1 0 384.307 2.554 20 0 GFADRO [NH3+][C@@H]1CCCCC[C@H]1NCCNS(=O)(=O)c1cccc(Cl)c1Cl ZINC000423097945 563355581 /nfs/dbraw/zinc/35/55/81/563355581.db2.gz BTDDRUCGHMPYKV-CHWSQXEVSA-N 1 0 380.341 2.521 20 0 GFADRO C[C@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)C(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000423118122 563356262 /nfs/dbraw/zinc/35/62/62/563356262.db2.gz YVXZTTZZMCLCPT-BZPMIXESSA-N 1 0 386.323 2.956 20 0 GFADRO C[C@H]([NH2+]C[C@H](CO)Cc1cc(Br)ccc1F)c1cnccc1N ZINC000423156086 563356910 /nfs/dbraw/zinc/35/69/10/563356910.db2.gz MBACUEDMAPNBKK-NWDGAFQWSA-N 1 0 382.277 2.898 20 0 GFADRO O=S(=O)(NCCCC[N@H+]1CCC[C@H]1CO)c1ccc(Cl)cc1Cl ZINC000280847951 563357175 /nfs/dbraw/zinc/35/71/75/563357175.db2.gz CHQLQDYJCIQPHU-ZDUSSCGKSA-N 1 0 381.325 2.509 20 0 GFADRO [NH3+][C@H](C(=O)Nc1cc(-c2cc(Br)ccc2Cl)[nH]n1)C1CCC1 ZINC000423128069 563357184 /nfs/dbraw/zinc/35/71/84/563357184.db2.gz UXHSZSWSRDRKNK-AWEZNQCLSA-N 1 0 383.677 3.559 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N(Cc2ccc(Cl)c(Cl)c2)C2CC2)C1 ZINC000423170501 563357737 /nfs/dbraw/zinc/35/77/37/563357737.db2.gz MFUCOPHFWKSSOM-DGCLKSJQSA-N 1 0 384.307 2.680 20 0 GFADRO C[C@@H]1C[C@H](C)CN(C(=O)C[NH+]2CCC(n3cc(Br)cn3)CC2)C1 ZINC000374011490 563358266 /nfs/dbraw/zinc/35/82/66/563358266.db2.gz IVJGKHKTVIATJL-OKILXGFUSA-N 1 0 383.334 2.787 20 0 GFADRO COC(=O)C1CC[NH+](CCCNC(=O)CSc2ccccc2Cl)CC1 ZINC000298517363 563358323 /nfs/dbraw/zinc/35/83/23/563358323.db2.gz ZFIORBCEFVKXEJ-UHFFFAOYSA-N 1 0 384.929 2.823 20 0 GFADRO C[C@H]([NH2+]C[C@H](CO)[C@H]1CCOC1)c1ccc(I)cc1 ZINC000280878248 563358787 /nfs/dbraw/zinc/35/87/87/563358787.db2.gz OEWSNQXBRFFTDT-FPMFFAJLSA-N 1 0 375.250 2.587 20 0 GFADRO CC[C@H](NC[C@@H]([NH3+])c1ccccc1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000423246782 563359296 /nfs/dbraw/zinc/35/92/96/563359296.db2.gz PZOGBLNUOOEONI-SJORKVTESA-N 1 0 381.929 2.989 20 0 GFADRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N1CCc2c(Cl)cc(Cl)cc2C1 ZINC000423473874 563361032 /nfs/dbraw/zinc/36/10/32/563361032.db2.gz GXNAPOXTWFJDJX-INIZCTEOSA-N 1 0 386.323 2.710 20 0 GFADRO NC(=O)c1ccc(NC(=O)CC[N@@H+]2CCSC[C@@H]2c2cccs2)cc1 ZINC000374106139 563361809 /nfs/dbraw/zinc/36/18/09/563361809.db2.gz IEAYVJHPWMFYNL-OAHLLOKOSA-N 1 0 375.519 2.966 20 0 GFADRO C[C@H]1c2c(Cl)cc(Cl)cc2CCN1C(=O)C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000423547198 563362095 /nfs/dbraw/zinc/36/20/95/563362095.db2.gz FWIIBVSPJQNIQD-VOJFVSQTSA-N 1 0 384.307 2.636 20 0 GFADRO Cc1csc(C2([NH2+]CCC(=O)NC(=O)NCC(F)(F)F)CCCC2)n1 ZINC000298630401 563362078 /nfs/dbraw/zinc/36/20/78/563362078.db2.gz ONHAHRGRJCYWAZ-UHFFFAOYSA-N 1 0 378.420 2.589 20 0 GFADRO C[NH2+]C1CCN(C(=O)C(=O)N2CCc3cc(Cl)cc(Cl)c3[C@H]2C)CC1 ZINC000423546461 563362195 /nfs/dbraw/zinc/36/21/95/563362195.db2.gz FEIWYXVAEDVLHJ-LLVKDONJSA-N 1 0 384.307 2.650 20 0 GFADRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)CCCCc1ccc(I)cc1 ZINC000423677086 563362827 /nfs/dbraw/zinc/36/28/27/563362827.db2.gz QHVJWZLNTLRWAC-WFASDCNBSA-N 1 0 386.277 2.952 20 0 GFADRO Cc1ccncc1C[NH2+]C[C@@H](O)COc1ccc(I)cc1 ZINC000280982383 563363082 /nfs/dbraw/zinc/36/30/82/563363082.db2.gz UNCFJYMGIQSIIU-OAHLLOKOSA-N 1 0 398.244 2.524 20 0 GFADRO COC[C@]1(C(=O)N2CCC(c3cccc(Br)c3)CC2)CC[NH2+]C1 ZINC000423836101 563363378 /nfs/dbraw/zinc/36/33/78/563363378.db2.gz GIACJSZJQJQANM-SFHVURJKSA-N 1 0 381.314 2.781 20 0 GFADRO C[C@H]1CN(C(=O)C(=O)N2CCC(c3ccc(Cl)cc3Cl)CC2)C[C@@H]1[NH3+] ZINC000423733153 563363581 /nfs/dbraw/zinc/36/35/81/563363581.db2.gz BJPZEQUOUVZGTR-ZBEGNZNMSA-N 1 0 384.307 2.505 20 0 GFADRO O=C(COC1CC[NH2+]CC1)NCc1ccc(Br)cc1C(F)(F)F ZINC000423743941 563363684 /nfs/dbraw/zinc/36/36/84/563363684.db2.gz KNCKZHAXYMHRNR-UHFFFAOYSA-N 1 0 395.219 2.853 20 0 GFADRO C[C@H]1CC[NH2+][C@H](C(=O)NCc2noc(-c3cccc(Br)c3)n2)C1 ZINC000423928159 563364365 /nfs/dbraw/zinc/36/43/65/563364365.db2.gz KHEKNFUYUWPYBI-GWCFXTLKSA-N 1 0 379.258 2.503 20 0 GFADRO O[C@H](COc1ccc(Cl)cc1Cl)C[N@@H+]1CCC[C@@H]1[C@H]1COCC[C@H]1O ZINC000374176349 563364610 /nfs/dbraw/zinc/36/46/10/563364610.db2.gz VECYOUOYMZGECB-XOSAIJSUSA-N 1 0 390.307 2.595 20 0 GFADRO [NH3+]C[C@H](NC(=O)[C@@H]1CCN(c2cc(Cl)ccc2Cl)C1=O)C1CCCC1 ZINC000423967046 563365741 /nfs/dbraw/zinc/36/57/41/563365741.db2.gz SEOISSNDLTZVFC-ZFWWWQNUSA-N 1 0 384.307 2.980 20 0 GFADRO Cc1c(C(=O)N(C)[C@@H](C[NH3+])C2CC2)cnn1-c1ccc(Br)cc1 ZINC000423965751 563365792 /nfs/dbraw/zinc/36/57/92/563365792.db2.gz YLNIEBVCPWCKAX-INIZCTEOSA-N 1 0 377.286 2.753 20 0 GFADRO O=C(c1ccccc1I)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000423964495 563365859 /nfs/dbraw/zinc/36/58/59/563365859.db2.gz QHWPYGXPEMQISB-IUODEOHRSA-N 1 0 384.261 2.895 20 0 GFADRO CC[NH+](CC)[C@H](CNC(=O)CNC(=O)OCC(F)(F)F)c1ccsc1 ZINC000298784354 563366072 /nfs/dbraw/zinc/36/60/72/563366072.db2.gz OJYQUAFFYUCVLY-GFCCVEGCSA-N 1 0 381.420 2.536 20 0 GFADRO [NH3+]Cc1cn([C@H]2CCCN(C(=O)c3cc(Cl)ccc3Br)C2)nn1 ZINC000423996736 563367117 /nfs/dbraw/zinc/36/71/17/563367117.db2.gz GVGGTLJFKGDPQN-LBPRGKRZSA-N 1 0 398.692 2.630 20 0 GFADRO CCSc1ccc(Cl)cc1C(=O)N1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000424002403 563367187 /nfs/dbraw/zinc/36/71/87/563367187.db2.gz OFUKFMZQHZOJAR-CQSZACIVSA-N 1 0 379.917 2.980 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)CCc2cc(Cl)ccc2Br)CCCO1 ZINC000424028249 563367828 /nfs/dbraw/zinc/36/78/28/563367828.db2.gz WRCHNYTYJCUHRS-ZDUSSCGKSA-N 1 0 375.694 2.611 20 0 GFADRO C[C@H]1CCN(C(=O)c2cnn(-c3ccc(Br)cc3)c2)C[C@H]1C[NH3+] ZINC000424024530 563367910 /nfs/dbraw/zinc/36/79/10/563367910.db2.gz WDLANZCKGFFFGZ-QWHCGFSZSA-N 1 0 377.286 2.692 20 0 GFADRO C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000424076288 563369508 /nfs/dbraw/zinc/36/95/08/563369508.db2.gz QIHVPTONRFCXGC-VOAKCMCISA-N 1 0 386.323 2.944 20 0 GFADRO C[C@H]([NH2+][C@@H](CO)CC1CCC1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000281214132 563369904 /nfs/dbraw/zinc/36/99/04/563369904.db2.gz SVNJBVCONLVLJV-GXSJLCMTSA-N 1 0 381.325 2.843 20 0 GFADRO Cc1sc(C(=O)NC2CCC(N3CC[NH2+]CC3)CC2)cc1Br ZINC000424209705 563374060 /nfs/dbraw/zinc/37/40/60/563374060.db2.gz ZMAIHNCALHQFSI-UHFFFAOYSA-N 1 0 386.359 2.765 20 0 GFADRO O=C(Nc1cnn(CC[NH+]2CCCCC2)c1)c1ccc(Br)cn1 ZINC000374514736 563374499 /nfs/dbraw/zinc/37/44/99/563374499.db2.gz QFNYJGILXQPZQN-UHFFFAOYSA-N 1 0 378.274 2.779 20 0 GFADRO C[C@H]([NH2+]C[C@H]1CCN(C)C(=O)C1)c1ccc(F)c(I)c1 ZINC000424315473 563375797 /nfs/dbraw/zinc/37/57/97/563375797.db2.gz CIQWXNRJYZPXQS-QWRGUYRKSA-N 1 0 390.240 2.949 20 0 GFADRO C[C@H]1CC2(CN1S(=O)(=O)c1ccc(F)c(C(F)(F)F)c1)CC[NH2+]CC2 ZINC000424391332 563378226 /nfs/dbraw/zinc/37/82/26/563378226.db2.gz MQFRHMSNVLWENT-NSHDSACASA-N 1 0 380.407 2.997 20 0 GFADRO C[C@H](CCC[NH3+])NC(=O)NCc1cc(Cl)cc(I)c1 ZINC000424460199 563379550 /nfs/dbraw/zinc/37/95/50/563379550.db2.gz AQIBSZDZYZBOBH-SECBINFHSA-N 1 0 395.672 2.871 20 0 GFADRO Cc1ccc(F)c(C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)c1Br ZINC000281677938 563383263 /nfs/dbraw/zinc/38/32/63/563383263.db2.gz DZIAMPKXDCUQHQ-UHFFFAOYSA-N 1 0 386.309 2.652 20 0 GFADRO COC(=O)C1=C(C)O[C@H](C[NH+]2CCC(n3cc(Br)cn3)CC2)C1 ZINC000374892294 563385208 /nfs/dbraw/zinc/38/52/08/563385208.db2.gz JSQRXLOSVYYWEB-AWEZNQCLSA-N 1 0 384.274 2.518 20 0 GFADRO CCc1nnc(SCC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)[nH]1 ZINC000299529820 563385483 /nfs/dbraw/zinc/38/54/83/563385483.db2.gz SAVXXNFENHLYBK-UHFFFAOYSA-N 1 0 377.539 2.647 20 0 GFADRO COc1cc(Br)c(C[N@@H+]2CCCC[C@@H]2[C@H]2CNC(=O)C2)cc1O ZINC000374897482 563385739 /nfs/dbraw/zinc/38/57/39/563385739.db2.gz PXWXXEYSKQYUNI-BXUZGUMPSA-N 1 0 383.286 2.654 20 0 GFADRO C[C@H](O)C[NH+]1CCC(CN(C)S(=O)(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000281809482 563387817 /nfs/dbraw/zinc/38/78/17/563387817.db2.gz VTNKUEWYKDGNNH-LBPRGKRZSA-N 1 0 395.352 2.707 20 0 GFADRO CCc1nn(C)c(Cl)c1CN1CCc2ccc(S(C)(=O)=O)cc2CC1 ZINC000375031123 563388073 /nfs/dbraw/zinc/38/80/73/563388073.db2.gz ODNFMTLSYOCADW-UHFFFAOYSA-N 1 0 381.929 2.640 20 0 GFADRO C[C@@H](Cc1ccc(Br)cc1)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000281885228 563389225 /nfs/dbraw/zinc/38/92/25/563389225.db2.gz XOUCPJAQRDCHQQ-HNNXBMFYSA-N 1 0 396.373 2.770 20 0 GFADRO C[C@H]([NH2+][C@H](c1cccc(Br)c1)C1CCOCC1)C(=O)NCCF ZINC000281912807 563389652 /nfs/dbraw/zinc/38/96/52/563389652.db2.gz AAWPCJMPNRNVDH-LRDDRELGSA-N 1 0 387.293 2.981 20 0 GFADRO COc1ncc(C(=O)NCc2ccc(C[NH+](C)C)c(F)c2)cc1Br ZINC000424740885 563390148 /nfs/dbraw/zinc/39/01/48/563390148.db2.gz DJUHRRBDNNGUEI-UHFFFAOYSA-N 1 0 396.260 2.983 20 0 GFADRO C[NH+](C)C[C@H]1CCN(S(=O)(=O)c2cc(Cl)ccc2Br)C1 ZINC000281943019 563391220 /nfs/dbraw/zinc/39/12/20/563391220.db2.gz IXPKAIHDVKJNQW-SNVBAGLBSA-N 1 0 381.723 2.675 20 0 GFADRO C[C@@H]1CCN(S(=O)(=O)c2ccc(Br)cc2Cl)[C@H](C[NH3+])C1 ZINC000300178302 563391403 /nfs/dbraw/zinc/39/14/03/563391403.db2.gz OZAKTBIRNFWEID-KOLCDFICSA-N 1 0 381.723 2.850 20 0 GFADRO COc1c[nH+]ccc1N1CCN(C(=O)c2cc(Br)oc2C)CC1 ZINC000424813217 563392830 /nfs/dbraw/zinc/39/28/30/563392830.db2.gz PMCFCGWKOUTIFJ-UHFFFAOYSA-N 1 0 380.242 2.717 20 0 GFADRO COc1c(Br)ccc(C)c1C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000424816767 563393616 /nfs/dbraw/zinc/39/36/16/563393616.db2.gz BQWDXHWDKCMJMS-UHFFFAOYSA-N 1 0 398.345 2.522 20 0 GFADRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)Nc1ncnc2c1c(Br)nn2C ZINC000301149364 563394190 /nfs/dbraw/zinc/39/41/90/563394190.db2.gz IXIGOBPOBRIZJR-UTUOFQBUSA-N 1 0 381.322 2.904 20 0 GFADRO CC1CC[NH+]([C@H](CNc2ncccc2S(N)(=O)=O)c2cccs2)CC1 ZINC000301241073 563397798 /nfs/dbraw/zinc/39/77/98/563397798.db2.gz OAMRBHGRXPYLMA-CQSZACIVSA-N 1 0 380.539 2.676 20 0 GFADRO CC1CCC([NH+]2CCN(c3ncnc4c3c(Br)nn4C)CC2)CC1 ZINC000301278020 563399324 /nfs/dbraw/zinc/39/93/24/563399324.db2.gz JIHOBBWJBKBXSW-UHFFFAOYSA-N 1 0 393.333 2.827 20 0 GFADRO CC1CC[NH+]([C@@H](CNC(=O)NCC2([S@@](C)=O)CC2)c2cccs2)CC1 ZINC000282247204 563403746 /nfs/dbraw/zinc/40/37/46/563403746.db2.gz GKXSNUDPJXAUFG-ODCWNRFASA-N 1 0 383.583 2.731 20 0 GFADRO C[C@@H](CNc1ccc(S(N)(=O)=O)c(C(F)(F)F)c1)[N@@H+]1CCC[C@H](C)C1 ZINC000301433947 563403963 /nfs/dbraw/zinc/40/39/63/563403963.db2.gz LLKQTIDRNMJKSV-RYUDHWBXSA-N 1 0 379.448 2.885 20 0 GFADRO C[C@H]1C[C@@H](C(=O)Nc2cc(Br)ccc2N(C)CC[NH+](C)C)CO1 ZINC000425097527 563404581 /nfs/dbraw/zinc/40/45/81/563404581.db2.gz ICZPTQJYAGHDHY-QWHCGFSZSA-N 1 0 384.318 2.810 20 0 GFADRO C[C@@H](Cn1cc(Br)cn1)[NH2+][C@@H]1CCN(C(=O)Nc2ccccc2)C1 ZINC000282289419 563405102 /nfs/dbraw/zinc/40/51/02/563405102.db2.gz BVNBXQPBIQXEFW-XJKSGUPXSA-N 1 0 392.301 2.930 20 0 GFADRO CCc1cnc(NC(=O)C(=O)NC[C@@H]2CC[N@H+](C)[C@@H]2c2cccs2)s1 ZINC000375439203 563405225 /nfs/dbraw/zinc/40/52/25/563405225.db2.gz ULCPTBUMYHXUDX-FZMZJTMJSA-N 1 0 378.523 2.515 20 0 GFADRO NC(=O)[C@@]1(O)CCCN(Cc2nc(-c3cc(Cl)ccc3Cl)cs2)C1 ZINC000375521276 563408236 /nfs/dbraw/zinc/40/82/36/563408236.db2.gz CLSGIKSSEQVCJL-MRXNPFEDSA-N 1 0 386.304 2.929 20 0 GFADRO COc1cc2[nH+]ccc(N[C@@H](C)CCS(C)(=O)=O)c2cc1Br ZINC000425241624 563413975 /nfs/dbraw/zinc/41/39/75/563413975.db2.gz QNOPOBPKAXJHNT-JTQLQIEISA-N 1 0 387.299 2.663 20 0 GFADRO Cc1cc(S(=O)(=O)N2CCN(c3nc4ccccc4[nH]3)CC2)c(C)s1 ZINC000301883913 563414518 /nfs/dbraw/zinc/41/45/18/563414518.db2.gz NOUYBUBYVGHJDQ-UHFFFAOYSA-N 1 0 376.507 2.752 20 0 GFADRO CS[C@@H]1CC[C@@H]1[NH2+]C[C@H](O)COc1ccc(I)cc1 ZINC000425337938 563419059 /nfs/dbraw/zinc/41/90/59/563419059.db2.gz ANTWICALRSKRCJ-FPMFFAJLSA-N 1 0 393.290 2.515 20 0 GFADRO CCOc1ccc(C[NH2+]C[C@@H]2CCN(S(=O)(=O)c3cccs3)C2)cc1 ZINC000375747072 563416674 /nfs/dbraw/zinc/41/66/74/563416674.db2.gz UBOIEPFTUHXODW-INIZCTEOSA-N 1 0 380.535 2.947 20 0 GFADRO NC(=O)c1ccccc1N1CC[C@H]([NH2+]Cc2cscc2Br)C1 ZINC000375740204 563416693 /nfs/dbraw/zinc/41/66/93/563416693.db2.gz DSJDJOFMZILVLT-LBPRGKRZSA-N 1 0 380.311 2.978 20 0 GFADRO CCOC(=O)[C@H](C)[C@H](C)[NH2+]CC(=O)Nc1c(F)cc(F)cc1Br ZINC000282637583 563418480 /nfs/dbraw/zinc/41/84/80/563418480.db2.gz BJVLMGBUKKNGQF-BDAKNGLRSA-N 1 0 393.228 2.843 20 0 GFADRO COC(=O)[C@@H]1C[N@H+](Cc2cnc(C)nc2)C[C@H]1c1ccc(Br)cc1 ZINC000425344143 563418858 /nfs/dbraw/zinc/41/88/58/563418858.db2.gz BMJOYDOZFUGNQH-DLBZAZTESA-N 1 0 390.281 2.936 20 0 GFADRO COc1ccc(C[NH2+][C@H]2CCC(=O)NC23CCC3)c(Br)c1OC ZINC000282675772 563420693 /nfs/dbraw/zinc/42/06/93/563420693.db2.gz CRRLWRPTMABJSC-ZDUSSCGKSA-N 1 0 383.286 2.757 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH2+][C@H](C)C(=O)NCCF ZINC000282672279 563420716 /nfs/dbraw/zinc/42/07/16/563420716.db2.gz MXXGMURCGHSVFS-GFCCVEGCSA-N 1 0 397.292 2.815 20 0 GFADRO CC[NH+](CC)CCN(Cc1ccc(S(=O)(=O)N(C)C)s1)CC(C)C ZINC000425413362 563421228 /nfs/dbraw/zinc/42/12/28/563421228.db2.gz CJGDLBRUCPCHFP-UHFFFAOYSA-N 1 0 375.604 2.798 20 0 GFADRO C[C@H]([NH2+]CC1(OCCO)CCOCC1)c1cc(Br)ccc1F ZINC000282711682 563422151 /nfs/dbraw/zinc/42/21/51/563422151.db2.gz LLYYMWYUDZKVSU-LBPRGKRZSA-N 1 0 376.266 2.797 20 0 GFADRO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NCc1ccsc1Br ZINC000282722827 563422183 /nfs/dbraw/zinc/42/21/83/563422183.db2.gz CLZFIPAGLIWCNV-CYBMUJFWSA-N 1 0 375.332 2.920 20 0 GFADRO O=S1(=O)CCC[C@@H]([NH2+]Cc2ccc(I)c(Cl)c2)C1 ZINC000282786410 563424132 /nfs/dbraw/zinc/42/41/32/563424132.db2.gz PWPZDQNGGAJMGI-SNVBAGLBSA-N 1 0 399.681 2.611 20 0 GFADRO COC(=O)[C@@H]1C[N@H+](CCc2cn[nH]c2)C[C@H]1c1ccc(Br)cc1 ZINC000425506992 563425548 /nfs/dbraw/zinc/42/55/48/563425548.db2.gz DWUVDADENYFPNX-JKSUJKDBSA-N 1 0 378.270 2.603 20 0 GFADRO C[NH+](C)C[C@](C)(O)CNc1nnc(-c2cc(Br)ccc2F)s1 ZINC000302628582 563427429 /nfs/dbraw/zinc/42/74/29/563427429.db2.gz IPYZJUBJSIXXCY-CQSZACIVSA-N 1 0 389.294 2.831 20 0 GFADRO C[C@H](NC(=O)C[NH2+][C@H]1CCC(=O)NC12CCC2)c1ccc(Cl)c(Cl)c1 ZINC000282894339 563428853 /nfs/dbraw/zinc/42/88/53/563428853.db2.gz WJDOQSIMBDZVOS-NHYWBVRUSA-N 1 0 384.307 2.962 20 0 GFADRO O=C1CCc2cc(Cl)c(S(=O)(=O)N3CCC[C@H]([C@H]4CCC[NH2+]4)C3)cc21 ZINC000376123345 563430474 /nfs/dbraw/zinc/43/04/74/563430474.db2.gz RHTKAJNSYNZRJH-XJKSGUPXSA-N 1 0 382.913 2.622 20 0 GFADRO C[C@H](CNS(=O)(=O)c1cc(Br)ccc1F)C[NH+]1CCCCC1 ZINC000303019474 563432499 /nfs/dbraw/zinc/43/24/99/563432499.db2.gz MKIVIKMZHHXDKE-GFCCVEGCSA-N 1 0 393.322 2.989 20 0 GFADRO C[C@H](CNC(=O)c1cc(Cl)ccc1I)C[NH+](C)C ZINC000310857805 563435119 /nfs/dbraw/zinc/43/51/19/563435119.db2.gz NGUHULGJLJDTGX-SECBINFHSA-N 1 0 380.657 2.872 20 0 GFADRO Cc1[nH]cc(C(=O)N2CCC([N@H+]3CCC[C@@H]3C)CC2)c(=O)c1Br ZINC000376258134 563435410 /nfs/dbraw/zinc/43/54/10/563435410.db2.gz NROQPGDJXWREIZ-NSHDSACASA-N 1 0 382.302 2.535 20 0 GFADRO Cc1ccc(S(=O)(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c(Br)c1 ZINC000314663124 563439651 /nfs/dbraw/zinc/43/96/51/563439651.db2.gz FLIVSDUAEPQLJZ-HIFRSBDPSA-N 1 0 387.343 2.910 20 0 GFADRO COCC1(CNC(=O)c2ccc(Br)c(Cl)c2)CC[NH2+]CC1 ZINC000314927912 563439918 /nfs/dbraw/zinc/43/99/18/563439918.db2.gz WRDCHBQRMJATOZ-UHFFFAOYSA-N 1 0 375.694 2.849 20 0 GFADRO CC1CC[NH+](CCCNS(=O)(=O)c2ccc(F)cc2Br)CC1 ZINC000316254860 563441503 /nfs/dbraw/zinc/44/15/03/563441503.db2.gz PJFXGPXTEGFHKH-UHFFFAOYSA-N 1 0 393.322 2.989 20 0 GFADRO C[C@H](C(=O)Nc1cccc(Cl)c1)[N@@H+]1CC[C@H](C(=O)NCC(F)(F)F)C1 ZINC000426108515 563443979 /nfs/dbraw/zinc/44/39/79/563443979.db2.gz ASXXYPYYZBHAOU-MNOVXSKESA-N 1 0 377.794 2.667 20 0 GFADRO O=C(NCC(F)(F)F)[C@@H]1CC[N@H+](CCOc2ccc(Br)cc2)C1 ZINC000426128627 563444778 /nfs/dbraw/zinc/44/47/78/563444778.db2.gz ODACLNKRCAHICV-LLVKDONJSA-N 1 0 395.219 2.828 20 0 GFADRO Cc1cc(NC(=O)C(=O)NCC[N@H+]2CC=C(C)CC2)cc(C)c1Br ZINC000426202237 563446151 /nfs/dbraw/zinc/44/61/51/563446151.db2.gz SUSMOTKDQHPXCH-UHFFFAOYSA-N 1 0 394.313 2.773 20 0 GFADRO COCC(=O)N1CCC([NH2+][C@H]2CCc3cc(Br)ccc3C2)CC1 ZINC000320390186 563446335 /nfs/dbraw/zinc/44/63/35/563446335.db2.gz JFSAEQLRVHKRHJ-KRWDZBQOSA-N 1 0 381.314 2.533 20 0 GFADRO CC[NH+](CC)CCOCCNC(=O)C(=O)Nc1cc(Cl)c(F)c(Cl)c1 ZINC000426185977 563446480 /nfs/dbraw/zinc/44/64/80/563446480.db2.gz FNKYCOUUGANJJE-UHFFFAOYSA-N 1 0 394.274 2.546 20 0 GFADRO Cn1cc(-c2ncc(C[NH2+]CCNc3cccc(Br)c3)cn2)cn1 ZINC000376563320 563446727 /nfs/dbraw/zinc/44/67/27/563446727.db2.gz YXIKXNCFSRWGFY-UHFFFAOYSA-N 1 0 387.285 2.841 20 0 GFADRO OCC[C@H]1CCC[N@@H+]1CCCOc1cccc(I)c1 ZINC000426218355 563447061 /nfs/dbraw/zinc/44/70/61/563447061.db2.gz SREOVRZVVWZXJZ-CQSZACIVSA-N 1 0 375.250 2.907 20 0 GFADRO CN1CCN(S(=O)(=O)c2cncc(Br)c2)[C@H](c2ccccc2)C1 ZINC000321203366 563448115 /nfs/dbraw/zinc/44/81/15/563448115.db2.gz WOHKLBKSCOWDFA-INIZCTEOSA-N 1 0 396.310 2.522 20 0 GFADRO O=C(CN1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1)Nc1ccc(Br)cc1F ZINC000322111834 563449545 /nfs/dbraw/zinc/44/95/45/563449545.db2.gz OYFBRHPORKAIKS-DOMZBBRYSA-N 1 0 384.293 2.991 20 0 GFADRO O=C(c1[nH]nc(-c2ccccc2)c1Br)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000376649883 563449580 /nfs/dbraw/zinc/44/95/80/563449580.db2.gz ZRKUHDYNFKEVOX-DGCLKSJQSA-N 1 0 375.270 2.663 20 0 GFADRO C[C@H]1CC[N@H+](C)CCN1C(=O)N[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000426426831 563450184 /nfs/dbraw/zinc/45/01/84/563450184.db2.gz JPPZGVIDQUBWEA-HOCLYGCPSA-N 1 0 395.345 2.763 20 0 GFADRO C[C@H](NC(=O)CN1C[C@@H]2CCC[C@]2(C[NH3+])C1)c1ccc(Br)cc1 ZINC000323747175 563451343 /nfs/dbraw/zinc/45/13/43/563451343.db2.gz RIWMNLNJRFYIGY-YEWWUXTCSA-N 1 0 380.330 2.687 20 0 GFADRO O=C(NC1CC[NH+](Cc2ccsc2)CC1)c1cnc(C2OCCO2)s1 ZINC000376709708 563451544 /nfs/dbraw/zinc/45/15/44/563451544.db2.gz GGMPGFQBTPCQFT-UHFFFAOYSA-N 1 0 379.507 2.644 20 0 GFADRO CNC(=O)c1cccc(NC(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)c1Br ZINC000376745409 563452781 /nfs/dbraw/zinc/45/27/81/563452781.db2.gz DRNXJRBTXZMEHZ-GFCCVEGCSA-N 1 0 395.301 2.511 20 0 GFADRO COc1ccc(C[NH2+]C[C@@H](O)COc2cccc(Br)c2)c(OC)c1 ZINC000324794096 563452804 /nfs/dbraw/zinc/45/28/04/563452804.db2.gz GHMDHKRVSWUYLZ-OAHLLOKOSA-N 1 0 396.281 2.996 20 0 GFADRO COc1cc(Br)c(C[NH2+][C@@H]2CCC(=O)N[C@H]2C2CC2)cc1OC ZINC000376774909 563454006 /nfs/dbraw/zinc/45/40/06/563454006.db2.gz YTBCYDPXOWUWKM-DYVFJYSZSA-N 1 0 383.286 2.613 20 0 GFADRO Cc1nc(-c2ccc(S(=O)(=O)N3CCC[C@]4(CC[NH2+]C4)C3)s2)cs1 ZINC000376778179 563454276 /nfs/dbraw/zinc/45/42/76/563454276.db2.gz NIYNDDYOXDGUBV-MRXNPFEDSA-N 1 0 383.564 2.944 20 0 GFADRO CN(C(=O)C[C@H]1CSCC[NH2+]1)[C@@H](c1ccc(Cl)cc1)c1cnccn1 ZINC000376815488 563455401 /nfs/dbraw/zinc/45/54/01/563455401.db2.gz IVDVWNLIXGCBKF-YJBOKZPZSA-N 1 0 376.913 2.773 20 0 GFADRO CC[N@H+](CCNC(=O)C(=O)Nc1cc(F)cc(Br)c1F)C(C)C ZINC000427076910 563459328 /nfs/dbraw/zinc/45/93/28/563459328.db2.gz JVLRETWFPVXXHJ-UHFFFAOYSA-N 1 0 392.244 2.512 20 0 GFADRO O=S(=O)(c1cccc(OC(F)(F)F)c1)N1CCCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000327774730 563459377 /nfs/dbraw/zinc/45/93/77/563459377.db2.gz WVNHOBHLEDLIQZ-CABCVRRESA-N 1 0 378.416 2.880 20 0 GFADRO C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CCCN(c3ccc(Br)cn3)C2)C1 ZINC000377126912 563464342 /nfs/dbraw/zinc/46/43/42/563464342.db2.gz KWJHCTVRHMFCRB-LSDHHAIUSA-N 1 0 395.345 2.519 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)C[C@H]1CCC[NH2+]CC1 ZINC000427352789 563466269 /nfs/dbraw/zinc/46/62/69/563466269.db2.gz SKSCMLHRTFLVRB-AWEZNQCLSA-N 1 0 396.329 2.982 20 0 GFADRO CS(=O)(=O)N1CC[C@H](C[N@@H+]2CCCCC[C@@H]2C[C@@H](O)c2cccs2)C1 ZINC000377289355 563470152 /nfs/dbraw/zinc/47/01/52/563470152.db2.gz ULDPQZAVHOTNJY-BRWVUGGUSA-N 1 0 386.583 2.698 20 0 GFADRO O=C(C[N@@H+]1CCC12CCC2)N1CCN(Cc2ccc(Br)s2)CC1 ZINC000427679299 563472087 /nfs/dbraw/zinc/47/20/87/563472087.db2.gz PGUZAFZGWDUNJS-UHFFFAOYSA-N 1 0 398.370 2.783 20 0 GFADRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2S(=O)(=O)Cc2cccc(C(F)(F)F)c2)C1 ZINC000427793930 563475350 /nfs/dbraw/zinc/47/53/50/563475350.db2.gz QBLKNVRFZCCMJA-GDBMZVCRSA-N 1 0 376.444 2.951 20 0 GFADRO O=C(Nc1cnccc1-n1ccnn1)c1cnc(Br)c(Cl)c1 ZINC000377445305 563475383 /nfs/dbraw/zinc/47/53/83/563475383.db2.gz HFLMFPATKQWEQM-UHFFFAOYSA-N 1 0 379.605 2.726 20 0 GFADRO COCCC[NH+]1CCC(NCc2ccc(C(=O)OC)cc2Br)CC1 ZINC000284454324 563475648 /nfs/dbraw/zinc/47/56/48/563475648.db2.gz UNCACVCKIOOJDG-UHFFFAOYSA-N 1 0 399.329 2.826 20 0 GFADRO CC[NH+](CC)CCSCC(=O)N1C[C@@H](c2ccc(Cl)cc2)[C@H](CO)C1 ZINC000427805791 563476114 /nfs/dbraw/zinc/47/61/14/563476114.db2.gz FOVWUGBDMKEIDE-WMZOPIPTSA-N 1 0 384.973 2.949 20 0 GFADRO CC[NH+]1CCN([C@H]2CCN(Cc3cccc(I)c3)C2)CC1 ZINC000284472255 563476512 /nfs/dbraw/zinc/47/65/12/563476512.db2.gz VXDHJDUUARBILY-KRWDZBQOSA-N 1 0 399.320 2.503 20 0 GFADRO Cc1nc(C)c(S(=O)(=O)N[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC000329238425 563476792 /nfs/dbraw/zinc/47/67/92/563476792.db2.gz LCJXQMRZFAPBCC-GUYCJALGSA-N 1 0 379.551 2.949 20 0 GFADRO C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000377536282 563478721 /nfs/dbraw/zinc/47/87/21/563478721.db2.gz RYQQBUAEFWVTAR-SGTLLEGYSA-N 1 0 384.307 2.714 20 0 GFADRO O=S(=O)(c1csc(-c2ccc(Cl)cc2)n1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000427935343 563479098 /nfs/dbraw/zinc/47/90/98/563479098.db2.gz OINAUJBBRSXQPH-JSGCOSHPSA-N 1 0 383.926 2.836 20 0 GFADRO COc1ccc(CN2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)c(Br)c1 ZINC000377657075 563482476 /nfs/dbraw/zinc/48/24/76/563482476.db2.gz TUAOHSOGSCVKJZ-BEFAXECRSA-N 1 0 396.373 2.916 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)C(=O)Nc1nc(C(F)(F)F)cs1)c1cccs1 ZINC000284733706 563488045 /nfs/dbraw/zinc/48/80/45/563488045.db2.gz KGRLKYYSAKSIJN-MRVPVSSYSA-N 1 0 392.428 2.581 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1nc(C(F)(F)F)cs1)c1cccs1 ZINC000284733709 563488076 /nfs/dbraw/zinc/48/80/76/563488076.db2.gz KGRLKYYSAKSIJN-QMMMGPOBSA-N 1 0 392.428 2.581 20 0 GFADRO C[N@@H+]1CC[C@@H](CNS(=O)(=O)CCOc2ccccc2)[C@@H]1c1cccs1 ZINC000377859476 563488779 /nfs/dbraw/zinc/48/87/79/563488779.db2.gz HTZBVFUJVKDUMM-MAUKXSAKSA-N 1 0 380.535 2.739 20 0 GFADRO Cn1nnc2cc(C[NH2+]C[C@@H](CO)Cc3ccc(Br)cc3)ccc21 ZINC000428547698 563495407 /nfs/dbraw/zinc/49/54/07/563495407.db2.gz YXCWRRQKFVOVFS-HNNXBMFYSA-N 1 0 389.297 2.672 20 0 GFADRO COc1ccc(Br)c(CN(C)C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000428599611 563496680 /nfs/dbraw/zinc/49/66/80/563496680.db2.gz NRMLZNXSZGLNOT-CYBMUJFWSA-N 1 0 382.302 2.836 20 0 GFADRO CS(=O)(=O)[C@H]1CCC[C@H]([NH2+]CCOc2ccc(Br)cc2)C1 ZINC000284956619 563496778 /nfs/dbraw/zinc/49/67/78/563496778.db2.gz FHZYLXGMKYUILW-ZFWWWQNUSA-N 1 0 376.316 2.773 20 0 GFADRO O=C(Cc1cc[nH]c(=O)c1Br)N1CC[NH+](C2CCCCC2)CC1 ZINC000330157105 563497202 /nfs/dbraw/zinc/49/72/02/563497202.db2.gz ZBJSOYBMBJFNBQ-UHFFFAOYSA-N 1 0 382.302 2.569 20 0 GFADRO CC(C)[NH2+]C1CCN(C(=O)C(=O)NCCc2c(Cl)cccc2Cl)CC1 ZINC000284967841 563497371 /nfs/dbraw/zinc/49/73/71/563497371.db2.gz KNCFVYYXNJOXDU-UHFFFAOYSA-N 1 0 386.323 2.641 20 0 GFADRO CC[N@@H+]1CC[C@H](CNC(=O)Nc2ccc(F)cc2I)C1 ZINC000428765412 563501174 /nfs/dbraw/zinc/50/11/74/563501174.db2.gz JZBXJWSHGYSASR-SNVBAGLBSA-N 1 0 391.228 2.894 20 0 GFADRO Cc1cccc(C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)c1Br ZINC000378276700 563501189 /nfs/dbraw/zinc/50/11/89/563501189.db2.gz ZYEIZNJMWWKHJA-CQSZACIVSA-N 1 0 380.330 2.656 20 0 GFADRO O=C(NC1CC[NH2+]CC1)c1cccn1-c1ccc(I)cc1 ZINC000428753470 563501405 /nfs/dbraw/zinc/50/14/05/563501405.db2.gz QSBROBXHVDBKLT-UHFFFAOYSA-N 1 0 395.244 2.564 20 0 GFADRO COC[C@@](C)(CC(=O)OC)[NH2+]CC(=O)N[C@H](C)c1ccc(Cl)cc1Cl ZINC000428776391 563501499 /nfs/dbraw/zinc/50/14/99/563501499.db2.gz FDHCTVIBKVHPTH-PIGZYNQJSA-N 1 0 391.295 2.728 20 0 GFADRO C[C@H](c1ccccc1)[C@@H]([NH2+]Cc1cc2c(c(Br)c1)OCO2)C(N)=O ZINC000428857391 563503657 /nfs/dbraw/zinc/50/36/57/563503657.db2.gz RHUPSUJGPOVDQV-BDJLRTHQSA-N 1 0 391.265 2.925 20 0 GFADRO C[C@H](c1ccccc1C(F)(F)F)[C@H](C)[NH2+]CC1(O)CCS(=O)(=O)CC1 ZINC000330518679 563508995 /nfs/dbraw/zinc/50/89/95/563508995.db2.gz JOHMTPWOIXQVSN-STQMWFEESA-N 1 0 379.444 2.727 20 0 GFADRO O=C(C[NH2+][C@@H](c1cc(Cl)ccc1Cl)[C@@H]1CCOC1)NC1CCOCC1 ZINC000378496674 563509247 /nfs/dbraw/zinc/50/92/47/563509247.db2.gz LUPFRNINLFIPRT-KZULUSFZSA-N 1 0 387.307 2.956 20 0 GFADRO C[N@@H+](Cc1cccc2c(Br)cccc12)C[C@@H](O)CN1CCOCC1 ZINC000429060807 563509420 /nfs/dbraw/zinc/50/94/20/563509420.db2.gz QDRBWMRUQAATJH-MRXNPFEDSA-N 1 0 393.325 2.727 20 0 GFADRO C[C@H]1CN(C(=O)c2cc(I)ccc2Cl)CC[C@H]1[NH3+] ZINC000429126073 563510178 /nfs/dbraw/zinc/51/01/78/563510178.db2.gz FJUDHBZPNTWKPY-QPUJVOFHSA-N 1 0 378.641 2.754 20 0 GFADRO Cc1sc2nc(CS[C@H](C)C(=O)NC[C@H]([NH3+])C(C)C)[nH]c(=O)c2c1C ZINC000429195268 563511725 /nfs/dbraw/zinc/51/17/25/563511725.db2.gz VSTFCLXHBFRCLZ-NEPJUHHUSA-N 1 0 382.555 2.735 20 0 GFADRO CC(=O)N[C@H](CC(=O)N1C[C@@H](C)[N@@H+](C)C[C@@H]1C)c1ccc(Br)cc1 ZINC000330601686 563512582 /nfs/dbraw/zinc/51/25/82/563512582.db2.gz GQPGSJIQWHCGCV-IIYDPXPESA-N 1 0 396.329 2.567 20 0 GFADRO C[C@@H]1CCC[N@H+](C[C@@H](O)COc2ccc(Cl)cc2Br)[C@H]1CO ZINC000330596742 563512745 /nfs/dbraw/zinc/51/27/45/563512745.db2.gz YMTOPBNITZPKFD-KYOSRNDESA-N 1 0 392.721 2.935 20 0 GFADRO CC(=O)c1cc(Br)ccc1OCC(=O)N1CCC[C@@H]1C[NH+](C)C ZINC000285294210 563513097 /nfs/dbraw/zinc/51/30/97/563513097.db2.gz LMCZEXANUGNISH-CQSZACIVSA-N 1 0 383.286 2.583 20 0 GFADRO CC(C)C[C@H]1CN(Cc2ccc(Cl)cc2)CC[N@@H+]1CCCS(N)(=O)=O ZINC000429280004 563513274 /nfs/dbraw/zinc/51/32/74/563513274.db2.gz NYISMDYYZRHKJG-SFHVURJKSA-N 1 0 387.977 2.551 20 0 GFADRO C[C@@H](CCNc1ncc(I)cn1)[N@H+](C)Cc1ccccc1 ZINC000379677469 563514446 /nfs/dbraw/zinc/51/44/46/563514446.db2.gz COKJJNFSYJFTOI-ZDUSSCGKSA-N 1 0 396.276 3.404 20 0 GFADRO C[C@H](CCNc1ncc(I)cn1)[N@H+](C)Cc1ccccc1 ZINC000379677468 563514471 /nfs/dbraw/zinc/51/44/71/563514471.db2.gz COKJJNFSYJFTOI-CYBMUJFWSA-N 1 0 396.276 3.404 20 0 GFADRO C[C@H]1CN([C@@H](C(N)=O)c2ccc(Br)cc2F)CC[N@@H+](C2CCC2)C1 ZINC000429375336 563515278 /nfs/dbraw/zinc/51/52/78/563515278.db2.gz YMTNNZUWOVBSCW-SJKOYZFVSA-N 1 0 398.320 2.921 20 0 GFADRO CSC[C@@H]([NH2+]CCNS(=O)(=O)NC(C)C)c1ccc(C(F)(F)F)cc1 ZINC000429456510 563516896 /nfs/dbraw/zinc/51/68/96/563516896.db2.gz SMMJYGLOTIJEBI-CQSZACIVSA-N 1 0 399.504 2.532 20 0 GFADRO [NH3+]CC[C@H](NC(=O)c1cc(Cl)ccc1I)C(F)F ZINC000383449576 563517135 /nfs/dbraw/zinc/51/71/35/563517135.db2.gz LXEBSPVBTLASSY-VIFPVBQESA-N 1 0 388.583 2.657 20 0 GFADRO CC(=O)NC1CCC([NH2+]C[C@H](CO)Cc2ccc(Br)cc2)CC1 ZINC000429447738 563517206 /nfs/dbraw/zinc/51/72/06/563517206.db2.gz IELMLEVOJUXWAI-FAEJEUNOSA-N 1 0 383.330 2.637 20 0 GFADRO C[NH+](C)[C@@H]1[C@H]2CN(C(=O)c3cc(Br)sc3Br)C[C@H]21 ZINC000384844029 563517913 /nfs/dbraw/zinc/51/79/13/563517913.db2.gz DUKLEGZFKDNJJK-MBTKJCJQSA-N 1 0 394.132 2.905 20 0 GFADRO Cn1c(CN2CCO[C@@]3(CCCOC3)C2)nc2ccc(Br)cc21 ZINC000285453638 563521538 /nfs/dbraw/zinc/52/15/38/563521538.db2.gz YRYJEVVFALCDCZ-KRWDZBQOSA-N 1 0 380.286 2.717 20 0 GFADRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1S(=O)(=O)c1sccc1Br ZINC000285449264 563521571 /nfs/dbraw/zinc/52/15/71/563521571.db2.gz YIQBMDVFMFLTOW-QWRGUYRKSA-N 1 0 379.345 2.758 20 0 GFADRO C[N@@H+]1CC[C@@H]2CCN(S(=O)(=O)c3cc(Cl)ccc3Br)[C@@H]2C1 ZINC000429819650 563524104 /nfs/dbraw/zinc/52/41/04/563524104.db2.gz JLEQSPYHMOOLIP-ZWNOBZJWSA-N 1 0 393.734 2.817 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2S(=O)(=O)c1ccc(Cl)cc1Cl ZINC000429830789 563524176 /nfs/dbraw/zinc/52/41/76/563524176.db2.gz SQPHQKZKXVRMHP-BPLDGKMQSA-N 1 0 393.336 2.866 20 0 GFADRO Cc1cc(NC(=O)CN2CCC(OCCC[NH3+])CC2)ccc1Br ZINC000391268625 563524337 /nfs/dbraw/zinc/52/43/37/563524337.db2.gz CXNYAZMHCANNGY-UHFFFAOYSA-N 1 0 384.318 2.526 20 0 GFADRO CNS(=O)(=O)NC1CC[NH+](Cc2ccc(-c3ccc(F)cc3)s2)CC1 ZINC000330895027 563526047 /nfs/dbraw/zinc/52/60/47/563526047.db2.gz FWRQIWGPICQVDG-UHFFFAOYSA-N 1 0 383.514 2.572 20 0 GFADRO O=C(NC[C@H]1CCCN(C(=O)c2cc3sccc3s2)C1)[C@H]1CCC[NH2+]1 ZINC000392785759 563527221 /nfs/dbraw/zinc/52/72/21/563527221.db2.gz LCPROVALRMWJHN-CHWSQXEVSA-N 1 0 377.535 2.683 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N2CCC[C@H]([NH+](C)C)CC2)cc1Br ZINC000429885897 563527588 /nfs/dbraw/zinc/52/75/88/563527588.db2.gz NIHFHEDJRBLPNI-AWEZNQCLSA-N 1 0 396.329 2.947 20 0 GFADRO COC(=O)[C@H](NC(=O)C[C@@H](C)[C@@H]1CCC[NH2+]C1)c1ccc(Br)cc1 ZINC000429912907 563528815 /nfs/dbraw/zinc/52/88/15/563528815.db2.gz YWERECZXDWOICB-SUYBPPKGSA-N 1 0 397.313 2.805 20 0 GFADRO OCC[C@@H]([NH2+]C[C@@H](O)COC1CCOCC1)c1ccc(Cl)c(Cl)c1 ZINC000285636599 563530040 /nfs/dbraw/zinc/53/00/40/563530040.db2.gz RNSGPUXMEAZNID-CXAGYDPISA-N 1 0 378.296 2.563 20 0 GFADRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1[C@H](C(N)=O)c1ccc(Br)cc1F ZINC000285645700 563530168 /nfs/dbraw/zinc/53/01/68/563530168.db2.gz RZODQEVHSYMRMQ-KFNAQCHYSA-N 1 0 384.293 2.673 20 0 GFADRO Cc1ccc(S(=O)(=O)N2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)c(Br)c1 ZINC000397251692 563531793 /nfs/dbraw/zinc/53/17/93/563531793.db2.gz CTNVVOATMOGWNT-AVGNSLFASA-N 1 0 375.332 2.751 20 0 GFADRO C[C@H](Cc1ccc(Br)cc1)C(=O)N1C[C@H](N2CCOCC2)C[C@@H]1C ZINC000285685075 563532568 /nfs/dbraw/zinc/53/25/68/563532568.db2.gz GOLMLMANHKNSAD-RVKKMQEKSA-N 1 0 395.341 2.949 20 0 GFADRO COc1ccc(Br)cc1S(=O)(=O)N[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000331044437 563533238 /nfs/dbraw/zinc/53/32/38/563533238.db2.gz SQFCUVRMYZIJRO-CYBMUJFWSA-N 1 0 391.331 2.609 20 0 GFADRO CS(=O)(=O)N[C@H]1CCCC[C@H]1[NH2+]Cc1cc(F)cc(Br)c1 ZINC000331151478 563538005 /nfs/dbraw/zinc/53/80/05/563538005.db2.gz BXABHIYLJACGIZ-KGLIPLIRSA-N 1 0 379.295 2.538 20 0 GFADRO CS(=O)(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(Br)c(F)c1 ZINC000331174656 563538427 /nfs/dbraw/zinc/53/84/27/563538427.db2.gz JKQYDYCSDVUFTN-ZIAGYGMSSA-N 1 0 379.295 2.538 20 0 GFADRO Cc1cc(S(=O)(=O)N2CCC[C@H](C)[C@@H]2CC[NH3+])sc1Br ZINC000405257949 563538554 /nfs/dbraw/zinc/53/85/54/563538554.db2.gz LTNPDHKJOCBQET-ONGXEEELSA-N 1 0 381.361 2.957 20 0 GFADRO C[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)c(F)c2)[C@H]1CC[NH3+] ZINC000405275092 563538751 /nfs/dbraw/zinc/53/87/51/563538751.db2.gz WRFHWKHPKXMCQA-YGRLFVJLSA-N 1 0 379.295 2.726 20 0 GFADRO CNC(=O)[C@]1(C)CC[N@H+](CCOc2ccc(Cl)cc2Br)C1 ZINC000430278741 563540066 /nfs/dbraw/zinc/54/00/66/563540066.db2.gz QPHCOCVZWJMMEU-OAHLLOKOSA-N 1 0 375.694 2.939 20 0 GFADRO COc1cc(Br)ccc1CNC(=O)N1CC[NH+](CC(C)C)CC1 ZINC000430274010 563540238 /nfs/dbraw/zinc/54/02/38/563540238.db2.gz GHSCGTPNTYBKOR-UHFFFAOYSA-N 1 0 384.318 2.941 20 0 GFADRO COCC[C@@]1(C(=O)NCCCc2ccc(Br)cc2F)CC[NH2+]C1 ZINC000430387378 563543284 /nfs/dbraw/zinc/54/32/84/563543284.db2.gz QGDGZOWOUGYIAB-KRWDZBQOSA-N 1 0 387.293 2.653 20 0 GFADRO COCC[C@]1(C(=O)NCCCc2ccc(Br)cc2F)CC[NH2+]C1 ZINC000430387379 563543338 /nfs/dbraw/zinc/54/33/38/563543338.db2.gz QGDGZOWOUGYIAB-QGZVFWFLSA-N 1 0 387.293 2.653 20 0 GFADRO C[C@@H](C(=O)Nc1ccc(I)cc1)N(C)CC(C)(C)C[NH3+] ZINC000430584306 563546142 /nfs/dbraw/zinc/54/61/42/563546142.db2.gz OYKJBDQRIHCRHU-NSHDSACASA-N 1 0 389.281 2.535 20 0 GFADRO C[NH2+]C[C@H]1CCCN([C@H](C)C(=O)N(C)Cc2ccc(Br)cc2)C1 ZINC000430608619 563546699 /nfs/dbraw/zinc/54/66/99/563546699.db2.gz DYISBCFYQVRFQD-GDBMZVCRSA-N 1 0 382.346 2.727 20 0 GFADRO C[C@@H]1CC[NH2+][C@@H](C)[C@H]1NC(=O)c1cc(F)c(F)cc1I ZINC000286053814 563547098 /nfs/dbraw/zinc/54/70/98/563547098.db2.gz LLGIOXJCULBFHL-UJVNDKKSSA-N 1 0 394.203 2.686 20 0 GFADRO CC[C@H]([NH2+][C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1)[C@@H]1CCCO1 ZINC000430695011 563547320 /nfs/dbraw/zinc/54/73/20/563547320.db2.gz LYTSJJJRWXYFIL-BPNCWPANSA-N 1 0 391.331 2.705 20 0 GFADRO CCCCOCC[NH2+][C@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430699798 563548044 /nfs/dbraw/zinc/54/80/44/563548044.db2.gz ZDOFTPXWTREEDN-LLVKDONJSA-N 1 0 379.320 2.564 20 0 GFADRO C[C@H]1C[C@@H](NS(=O)(=O)c2ccc(OCC(F)(F)F)cc2)C[N@@H+]1C1CC1 ZINC000331480138 563550653 /nfs/dbraw/zinc/55/06/53/563550653.db2.gz JLYKUCBITTXQQN-NWDGAFQWSA-N 1 0 378.416 2.531 20 0 GFADRO C[NH2+]C[C@H]1CCN(CC(=O)Nc2ccc(Br)c(C(F)(F)F)c2)C1 ZINC000430959069 563550744 /nfs/dbraw/zinc/55/07/44/563550744.db2.gz VYMMWJJJNJMVHS-SNVBAGLBSA-N 1 0 394.235 2.948 20 0 GFADRO COc1cc(Br)c(OCCN(C)[C@H](C)C[NH3+])cc1Br ZINC000430966250 563550944 /nfs/dbraw/zinc/55/09/44/563550944.db2.gz OIOWCAMFSXGWPX-SECBINFHSA-N 1 0 396.123 2.878 20 0 GFADRO Cc1nn(C)c(NC(=O)N2C[C@@H](C)[C@@H]([NH3+])C2)c1-c1ccc(Br)cc1 ZINC000331496574 563551273 /nfs/dbraw/zinc/55/12/73/563551273.db2.gz HDPLGESAQMMTQJ-YGRLFVJLSA-N 1 0 392.301 2.969 20 0 GFADRO COc1ccc([C@H]2CC[NH2+]C[C@H]2NS(=O)(=O)c2sc(C)cc2C)cc1 ZINC000431020725 563551535 /nfs/dbraw/zinc/55/15/35/563551535.db2.gz DCVDEJLKXNFTQS-IAGOWNOFSA-N 1 0 380.535 2.798 20 0 GFADRO Cc1cc(Br)c(S(=O)(=O)N2CCC3(CC[NH2+]C3)CC2)s1 ZINC000431029020 563552234 /nfs/dbraw/zinc/55/22/34/563552234.db2.gz WYVCEILVUSYWIN-UHFFFAOYSA-N 1 0 379.345 2.583 20 0 GFADRO C[C@@H]1C[C@@H](N2CCOCC2)C[N@@H+]1Cc1nc2cc(Br)ccc2o1 ZINC000286234345 563552838 /nfs/dbraw/zinc/55/28/38/563552838.db2.gz ZGSBMXFVNKAVLC-TZMCWYRMSA-N 1 0 380.286 2.885 20 0 GFADRO C[NH+]1CCN(CCCNc2ccc(Br)c(C(F)(F)F)n2)CC1 ZINC000286229749 563553021 /nfs/dbraw/zinc/55/30/21/563553021.db2.gz UBXNRIUQUKCOMQ-UHFFFAOYSA-N 1 0 381.240 2.912 20 0 GFADRO NS(=O)(=O)c1ccc(CNC[C@H]2CCC[N@@H+]2C2CCCCC2)cc1Cl ZINC000331591178 563554559 /nfs/dbraw/zinc/55/45/59/563554559.db2.gz MTJMIXJYEIVCDK-MRXNPFEDSA-N 1 0 385.961 2.874 20 0 GFADRO O=C(Nc1ccc(Br)cn1)[C@@H]1CCC[N@@H+](CC2(O)CCCC2)C1 ZINC000331700439 563558474 /nfs/dbraw/zinc/55/84/74/563558474.db2.gz WYXVBIZUNPXXCP-CYBMUJFWSA-N 1 0 382.302 2.800 20 0 GFADRO C[NH+](C)CC(C)(C)CNC(=O)c1ccn(-c2ccc(Br)cc2)n1 ZINC000431670235 563566123 /nfs/dbraw/zinc/56/61/23/563566123.db2.gz NEKPXSPQFDNJSF-UHFFFAOYSA-N 1 0 379.302 2.952 20 0 GFADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3cn4ccc(Br)cc4n3)CC[C@H]21 ZINC000286651114 563569197 /nfs/dbraw/zinc/56/91/97/563569197.db2.gz CKHHAJSCEWRNQG-IUODEOHRSA-N 1 0 377.286 2.653 20 0 GFADRO C[C@@H](NC(=O)NCc1cccc(C[NH+](C)C)c1)c1ncc(Br)cn1 ZINC000431817635 563569342 /nfs/dbraw/zinc/56/93/42/563569342.db2.gz IQLCXNBTXMBXBU-GFCCVEGCSA-N 1 0 392.301 2.861 20 0 GFADRO C[C@H]1CN(C(=O)c2cc(=O)[nH]c3c(Br)cccc23)C[C@H]1[NH+](C)C ZINC000332020869 563572311 /nfs/dbraw/zinc/57/23/11/563572311.db2.gz HIBWDHUZRDBHIO-IINYFYTJSA-N 1 0 378.270 2.725 20 0 GFADRO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1c(C)cc(C)cc1Br ZINC000431997020 563572733 /nfs/dbraw/zinc/57/27/33/563572733.db2.gz CFIWNIKSLKOYEU-ZDUSSCGKSA-N 1 0 384.318 2.851 20 0 GFADRO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)Cc1ccc(Br)cc1O ZINC000432042263 563573415 /nfs/dbraw/zinc/57/34/15/563573415.db2.gz WCMFHWLQIBKIBY-QGZVFWFLSA-N 1 0 391.309 2.986 20 0 GFADRO O=C(CCCOc1ccc(Cl)cc1Cl)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000286782648 563574815 /nfs/dbraw/zinc/57/48/15/563574815.db2.gz OWJOFAQVEVTEGX-OAHLLOKOSA-N 1 0 386.323 2.659 20 0 GFADRO CC(C)Oc1ccncc1COC(=O)Cn1cc(Br)ccc1=O ZINC000286804808 563575448 /nfs/dbraw/zinc/57/54/48/563575448.db2.gz AXMAJAMOIYYRMF-UHFFFAOYSA-N 1 0 381.226 2.536 20 0 GFADRO C[C@H]1[C@@H](NC(=O)C2(c3ccc(I)cc3)CC2)CCC[N@@H+]1C ZINC000409960503 563576135 /nfs/dbraw/zinc/57/61/35/563576135.db2.gz NFNGERQLHRJMHG-WFASDCNBSA-N 1 0 398.288 2.922 20 0 GFADRO CC[C@H](Cc1ccccc1Br)C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000286852038 563577628 /nfs/dbraw/zinc/57/76/28/563577628.db2.gz XAMPWTSZLBEFPH-NVXWUHKLSA-N 1 0 394.357 2.524 20 0 GFADRO C[C@@H]1[NH2+]CCC[C@H]1C(=O)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000332152647 563579723 /nfs/dbraw/zinc/57/97/23/563579723.db2.gz WEPZHEGMAFZSAW-GXTWGEPZSA-N 1 0 384.307 2.666 20 0 GFADRO C[C@H]1C[N@H+](CCCNS(=O)(=O)c2cc(Cl)ccc2Cl)CCCO1 ZINC000432340409 563581106 /nfs/dbraw/zinc/58/11/06/563581106.db2.gz MTDISSLSZLWVTD-LBPRGKRZSA-N 1 0 381.325 2.773 20 0 GFADRO Cc1cccc(NC(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)c1Br ZINC000332207071 563583251 /nfs/dbraw/zinc/58/32/51/563583251.db2.gz XCPVMZRVZNINQY-CQSZACIVSA-N 1 0 394.313 2.783 20 0 GFADRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1CC(=O)N(C)Cc1ccccc1Br ZINC000287039276 563584862 /nfs/dbraw/zinc/58/48/62/563584862.db2.gz SUADKTCMTRICTQ-MAUKXSAKSA-N 1 0 394.357 2.966 20 0 GFADRO C[C@@H]1CN(C(=O)N[C@H]2CCc3cc(Br)ccc32)C[C@H](C)[N@H+]1CCO ZINC000332249150 563587579 /nfs/dbraw/zinc/58/75/79/563587579.db2.gz BJKWSVJFZDKKJG-AHIWAGSCSA-N 1 0 396.329 2.533 20 0 GFADRO COc1cccc(S(=O)(=O)CC[NH2+][C@H](CCO)c2ccc(Cl)cc2)c1 ZINC000287109520 563587783 /nfs/dbraw/zinc/58/77/83/563587783.db2.gz YJRJTYKLWXHRLF-GOSISDBHSA-N 1 0 383.897 2.836 20 0 GFADRO CO[C@@H](C)c1nc(CN2CCC[N@H+](C[C@@](C)(O)C(F)(F)F)CC2)cs1 ZINC000410409598 563590002 /nfs/dbraw/zinc/59/00/02/563590002.db2.gz XTEMKYHZSVEEGB-SWLSCSKDSA-N 1 0 381.464 2.672 20 0 GFADRO C[NH+]1CCN(c2ccc(NC(=O)Cc3cscc3Br)nc2)CC1 ZINC000432674364 563591180 /nfs/dbraw/zinc/59/11/80/563591180.db2.gz ZIZKZJVMROWIRB-UHFFFAOYSA-N 1 0 395.326 2.839 20 0 GFADRO Cn1cc(Br)c(C(=O)NC2CC[NH+](CCc3ccccc3)CC2)n1 ZINC000432721054 563591967 /nfs/dbraw/zinc/59/19/67/563591967.db2.gz YGAYWXHBCKMWJQ-UHFFFAOYSA-N 1 0 391.313 2.620 20 0 GFADRO C[C@@H]1CCN(C(=O)N[C@@H]2CCOc3ccc(Br)cc32)C[C@@H]1C[NH3+] ZINC000332356801 563594813 /nfs/dbraw/zinc/59/48/13/563594813.db2.gz OASXPWMGACENNJ-TYNCELHUSA-N 1 0 382.302 2.899 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)N1CC[C@@H](C(F)(F)F)[C@@H](CO)C1)c1ccsc1 ZINC000287302260 563595815 /nfs/dbraw/zinc/59/58/15/563595815.db2.gz WHPJFGHSILQSER-MGPQQGTHSA-N 1 0 379.448 2.553 20 0 GFADRO COC(=O)c1csc([C@@H](C)[NH2+]CCS(=O)(=O)CCc2ccccc2)c1 ZINC000287300534 563595870 /nfs/dbraw/zinc/59/58/70/563595870.db2.gz DOCARBLHVKOZKH-CQSZACIVSA-N 1 0 381.519 2.843 20 0 GFADRO C[C@@H](Cn1cc(Br)cn1)[NH2+]Cc1ccncc1OC[C@@H]1CCOC1 ZINC000287342125 563597200 /nfs/dbraw/zinc/59/72/00/563597200.db2.gz NAWNXZIZQCUTPU-UONOGXRCSA-N 1 0 395.301 2.634 20 0 GFADRO CS(=O)(=O)c1cc(NC(=O)N2CCC[C@H]([NH+]3CCCC3)C2)ccc1Cl ZINC000332415625 563597556 /nfs/dbraw/zinc/59/75/56/563597556.db2.gz UETRFFHSWPLDTG-AWEZNQCLSA-N 1 0 385.917 2.836 20 0 GFADRO CNC(=O)c1cccc(NC(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1Br ZINC000287369290 563598495 /nfs/dbraw/zinc/59/84/95/563598495.db2.gz KNCNUYXDNPTLAH-RYUDHWBXSA-N 1 0 397.317 2.755 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCc3cc(Cl)c(Cl)cc3[C@H]2C)CC[NH2+]1 ZINC000332445071 563599156 /nfs/dbraw/zinc/59/91/56/563599156.db2.gz CYDIEORVDYAJLZ-WZRBSPASSA-N 1 0 384.307 2.696 20 0 GFADRO O=C(Nc1ccc(I)cc1)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000332578140 563604761 /nfs/dbraw/zinc/60/47/61/563604761.db2.gz ZHDMBGYTVAPBPF-MISXGVKJSA-N 1 0 385.249 2.801 20 0 GFADRO CC(C)[C@H](C[NH3+])C(=O)N1CCN([C@H](C)c2ccc(Br)cc2)CC1 ZINC000433177661 563604913 /nfs/dbraw/zinc/60/49/13/563604913.db2.gz VGYGJSJBCKCMJV-PBHICJAKSA-N 1 0 382.346 2.885 20 0 GFADRO C[C@@H]1C[C@@H](C)N(C(=O)Cc2cc3c(cc2Br)OCCO3)C[C@H]1C[NH3+] ZINC000332567082 563605003 /nfs/dbraw/zinc/60/50/03/563605003.db2.gz AACMZJOEDSCYSU-YRGRVCCFSA-N 1 0 397.313 2.595 20 0 GFADRO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1c(F)cccc1Br ZINC000332585072 563605484 /nfs/dbraw/zinc/60/54/84/563605484.db2.gz JLRDFXRIETWYRT-NWDGAFQWSA-N 1 0 398.276 2.612 20 0 GFADRO Cc1cc(Br)cc(C[NH2+]C[C@@]2(O)CCO[C@H]2C)c1OC(F)F ZINC000433183003 563606105 /nfs/dbraw/zinc/60/61/05/563606105.db2.gz QJRPGNQUAWVDHK-BONVTDFDSA-N 1 0 380.229 2.988 20 0 GFADRO CCc1nc(C(=O)NC2CC[NH+](C)CC2)nn1-c1c(Cl)cccc1Cl ZINC000332614430 563607585 /nfs/dbraw/zinc/60/75/85/563607585.db2.gz BCLYQHSDUPYGPI-UHFFFAOYSA-N 1 0 382.295 2.961 20 0 GFADRO CS[C@@H]1CN([C@H]2CCN(c3cccc(Br)c3)C2=O)C[C@@H]1[NH+](C)C ZINC000433251229 563607581 /nfs/dbraw/zinc/60/75/81/563607581.db2.gz CCNWFSSOYLQSNZ-HRCADAONSA-N 1 0 398.370 2.532 20 0 GFADRO O=C1[C@H]([N@@H+]2CC[C@H]([C@H]3CCOC3)C2)CCN1c1cccc(Br)c1 ZINC000433272713 563608214 /nfs/dbraw/zinc/60/82/14/563608214.db2.gz IKVVJUWFQJMMPX-GRDNDAEWSA-N 1 0 379.298 2.913 20 0 GFADRO C[NH+](C)[C@H]1CCCN([C@H]2CCN(c3cccc(Br)c3)C2=O)CC1 ZINC000433256624 563608225 /nfs/dbraw/zinc/60/82/25/563608225.db2.gz AYRCBVJPERLJSL-RDJZCZTQSA-N 1 0 380.330 2.971 20 0 GFADRO C[C@@H]1C[N@H+](CCCNC(=O)NCc2csc(Br)c2)CCCO1 ZINC000433293805 563608419 /nfs/dbraw/zinc/60/84/19/563608419.db2.gz HYWGIPLJAJAYOL-GFCCVEGCSA-N 1 0 390.347 2.811 20 0 GFADRO CCS(=O)(=O)NCCC[N@@H+]1CC[C@H](Cc2ccc(Br)cc2)C1 ZINC000433286701 563608511 /nfs/dbraw/zinc/60/85/11/563608511.db2.gz JZXOZAHCSDFASS-OAHLLOKOSA-N 1 0 389.359 2.643 20 0 GFADRO C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H](Cc3ccc(Br)cc3)C2)C[C@H](C)O1 ZINC000433319351 563608890 /nfs/dbraw/zinc/60/88/90/563608890.db2.gz ODLNDDMOYSZHEZ-UXLLHSPISA-N 1 0 395.341 2.949 20 0 GFADRO CC(C)NC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](Cc2ccc(Br)cc2)C1 ZINC000433295558 563609337 /nfs/dbraw/zinc/60/93/37/563609337.db2.gz DOIMZRFXYVQDFD-HIFRSBDPSA-N 1 0 396.329 2.936 20 0 GFADRO CC(=O)NCC[N@H+](Cc1cc(Cl)c2c(c1)OCCO2)C1CCSCC1 ZINC000332640718 563609579 /nfs/dbraw/zinc/60/95/79/563609579.db2.gz WYMIOAUGDKJQLX-UHFFFAOYSA-N 1 0 384.929 2.945 20 0 GFADRO C[C@H]1CN(C(=O)Nc2nnc(-c3cccc(Br)c3)s2)CC[C@@H]1[NH3+] ZINC000332673803 563611088 /nfs/dbraw/zinc/61/10/88/563611088.db2.gz QAGMLSYCHXHPBY-CABZTGNLSA-N 1 0 396.314 3.169 20 0 GFADRO CC[N@@H+]1CCC[C@@H](NC(=O)N[C@H]2COc3cc(F)c(Br)cc32)C1 ZINC000332688776 563611877 /nfs/dbraw/zinc/61/18/77/563611877.db2.gz KFNWTBANCSZKOK-YGRLFVJLSA-N 1 0 386.265 2.805 20 0 GFADRO C[C@@H]1CCN(C(=O)N[C@@H]2CCN(c3cccc(Br)c3)C2)C[C@@H]1C[NH3+] ZINC000332699484 563612341 /nfs/dbraw/zinc/61/23/41/563612341.db2.gz SGAWMFUUCPOIBQ-IJEWVQPXSA-N 1 0 395.345 2.654 20 0 GFADRO C[C@@H]1COCC[C@@H]1NC(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000433452943 563613076 /nfs/dbraw/zinc/61/30/76/563613076.db2.gz XRDZVNCIFHZVJX-PBHICJAKSA-N 1 0 398.345 2.947 20 0 GFADRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)c1cnnn1-c1c(Cl)cccc1Cl ZINC000332977846 563617070 /nfs/dbraw/zinc/61/70/70/563617070.db2.gz NRPUWIVHNKHNIU-UONOGXRCSA-N 1 0 380.279 2.931 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1nc(-c2ccc(C)s2)cs1 ZINC000287848898 563620076 /nfs/dbraw/zinc/62/00/76/563620076.db2.gz ZCZRBIZEGBAAAU-GFCCVEGCSA-N 1 0 378.523 2.719 20 0 GFADRO Cc1nc(C(=O)N2CCC([N@H+]3CCO[C@@H](C)C3)CC2)c(Br)s1 ZINC000411478491 563620219 /nfs/dbraw/zinc/62/02/19/563620219.db2.gz ULCYKRLJXGQFSS-JTQLQIEISA-N 1 0 388.331 2.539 20 0 GFADRO Cn1cc(NC(=O)N2CCCC[C@H]2[C@@H]2CCC[NH2+]C2)cc(Br)c1=O ZINC000333100245 563620764 /nfs/dbraw/zinc/62/07/64/563620764.db2.gz CGGGQIPDDJLJBV-DOMZBBRYSA-N 1 0 397.317 2.534 20 0 GFADRO CN(C)c1ncc(C[N@H+](C)CCC(=O)Nc2ccc(Br)cc2)cn1 ZINC000411492815 563621173 /nfs/dbraw/zinc/62/11/73/563621173.db2.gz DCQFVYPFZIXMFY-UHFFFAOYSA-N 1 0 392.301 2.766 20 0 GFADRO C[C@H](O)C[N@@H+]1CCN(Cc2c(F)c(F)c(Br)c(F)c2F)[C@H](C)C1 ZINC000411576708 563624585 /nfs/dbraw/zinc/62/45/85/563624585.db2.gz XZZYAMAOAUIJAF-BDAKNGLRSA-N 1 0 399.226 2.892 20 0 GFADRO [NH3+][C@H]1CCCO[C@@H]1C1CCN(C(=O)Cc2ccc(Br)c(F)c2)CC1 ZINC000333221967 563624964 /nfs/dbraw/zinc/62/49/64/563624964.db2.gz ADKNWOUGJJHPOL-FUHWJXTLSA-N 1 0 399.304 2.876 20 0 GFADRO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(C(=O)Nc2cc(Br)ccn2)CC1 ZINC000333249583 563625419 /nfs/dbraw/zinc/62/54/19/563625419.db2.gz CFSVIVNQIKDLNR-UKRRQHHQSA-N 1 0 383.290 2.594 20 0 GFADRO CC1(C)C[NH2+]CC[C@H]1NC(=O)Nc1ccc2nccnc2c1Br ZINC000333259733 563626074 /nfs/dbraw/zinc/62/60/74/563626074.db2.gz DSFHVTDPMINHLV-GFCCVEGCSA-N 1 0 378.274 2.902 20 0 GFADRO [NH3+][C@H]1CCCO[C@H]1C1CCN(C(=O)Cc2ccc(F)c(Br)c2)CC1 ZINC000333268734 563626082 /nfs/dbraw/zinc/62/60/82/563626082.db2.gz KBQNQUKUYZXWOT-WMZOPIPTSA-N 1 0 399.304 2.876 20 0 GFADRO COCC[N@H+](CCC(=O)Nc1ccc(Br)cc1)[C@H]1CCO[C@H]1C ZINC000411658436 563628467 /nfs/dbraw/zinc/62/84/67/563628467.db2.gz WMRULHDIKKPFGY-BBRMVZONSA-N 1 0 385.302 2.904 20 0 GFADRO CN(C)c1cc(NC(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)ncc1Br ZINC000333359407 563628618 /nfs/dbraw/zinc/62/86/18/563628618.db2.gz SOAZMPNUHYKKIA-CHWSQXEVSA-N 1 0 396.333 2.764 20 0 GFADRO Cc1ccc(NC(=O)C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)c(Br)c1 ZINC000434558426 563632031 /nfs/dbraw/zinc/63/20/31/563632031.db2.gz JSXAXUZOBCIHJA-AWEZNQCLSA-N 1 0 394.313 2.829 20 0 GFADRO O=C(NC[C@H]1CCCC[N@@H+]1C1CC1)C(=O)Nc1ccc(F)cc1Br ZINC000434560768 563632433 /nfs/dbraw/zinc/63/24/33/563632433.db2.gz BOHJJEKBHUIWPG-CYBMUJFWSA-N 1 0 398.276 2.660 20 0 GFADRO C[NH+](C)[C@]1(CNc2c(Br)cccc2S(C)(=O)=O)CCSC1 ZINC000288180060 563632754 /nfs/dbraw/zinc/63/27/54/563632754.db2.gz BNMVGBNKRMQPEM-AWEZNQCLSA-N 1 0 393.372 2.702 20 0 GFADRO O=C(CC[NH2+][C@H](C1CC1)[C@@]1(CO)CCCO1)Nc1ccc(Br)cc1 ZINC000411771762 563633756 /nfs/dbraw/zinc/63/37/56/563633756.db2.gz OZDMQWZWTPFZME-MSOLQXFVSA-N 1 0 397.313 2.687 20 0 GFADRO C[C@H](NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C)C[C@H]1C)c1cccc(Cl)c1Cl ZINC000288211989 563633807 /nfs/dbraw/zinc/63/38/07/563633807.db2.gz OWMFSQNHSRUUCO-XUJVJEKNSA-N 1 0 386.323 2.969 20 0 GFADRO Cc1cc(Br)c(C(=O)NCCCN2CC[NH+](C)CC2)cc1Cl ZINC000288222586 563633988 /nfs/dbraw/zinc/63/39/88/563633988.db2.gz ICABJGRFNUJPDZ-UHFFFAOYSA-N 1 0 388.737 2.778 20 0 GFADRO O=C(N[C@H]1CCC[NH2+]C1)N1CCC(Oc2cccc(Br)c2)CC1 ZINC000333480602 563634075 /nfs/dbraw/zinc/63/40/75/563634075.db2.gz CBBIEAVKKYNEFD-AWEZNQCLSA-N 1 0 382.302 2.754 20 0 GFADRO O=C(N[C@@H]1C[C@H]1c1ccccc1Br)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000333531980 563635280 /nfs/dbraw/zinc/63/52/80/563635280.db2.gz IBMTZUJRZBVZLD-JINKPPJBSA-N 1 0 378.314 2.992 20 0 GFADRO [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)CCc1ccc(Cl)c(Cl)c1 ZINC000434702301 563635357 /nfs/dbraw/zinc/63/53/57/563635357.db2.gz KOMFBOVZESDWRJ-AWEZNQCLSA-N 1 0 386.323 2.772 20 0 GFADRO C[C@@H]1CN(CC[N@H+](C)CCC(=O)Nc2cccc(Br)c2)C[C@H](C)O1 ZINC000434695757 563635484 /nfs/dbraw/zinc/63/54/84/563635484.db2.gz UFRIJRUEWRWDMW-GASCZTMLSA-N 1 0 398.345 2.819 20 0 GFADRO COCC[C@H](Cc1cccc(Br)c1)C(=O)N[C@H]1CCC[NH2+][C@H]1C ZINC000434709568 563635708 /nfs/dbraw/zinc/63/57/08/563635708.db2.gz VKDRYYAHQVFOLO-LXZKKBNFSA-N 1 0 383.330 2.901 20 0 GFADRO C[NH+](C)C[C@H]1CCN(C(=O)NCc2cc(F)c(F)cc2Br)C1 ZINC000288274314 563636313 /nfs/dbraw/zinc/63/63/13/563636313.db2.gz VWLKVVZUQNFOEC-SNVBAGLBSA-N 1 0 376.245 2.820 20 0 GFADRO Cc1c(Br)ccc(NC(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)c1F ZINC000333606612 563636777 /nfs/dbraw/zinc/63/67/77/563636777.db2.gz RGYJFDMJWXXYFQ-WCQYABFASA-N 1 0 396.264 2.589 20 0 GFADRO C[C@@H](NC(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1)c1ccc(Br)cn1 ZINC000333647532 563638078 /nfs/dbraw/zinc/63/80/78/563638078.db2.gz VGWCOQPCXCARLY-TZMCWYRMSA-N 1 0 381.318 2.936 20 0 GFADRO [NH3+][C@H]1CCO[C@@H](C2CCN(S(=O)(=O)c3csc4ccccc43)CC2)C1 ZINC000333669196 563638722 /nfs/dbraw/zinc/63/87/22/563638722.db2.gz MVGQMQAJRQRBNR-GOEBONIOSA-N 1 0 380.535 2.808 20 0 GFADRO CO[C@H]1c2ccccc2C[C@H]1[NH2+]CC(=O)Nc1ccc(Br)cn1 ZINC000411897354 563640417 /nfs/dbraw/zinc/64/04/17/563640417.db2.gz VFRVNRCTMFCQED-PBHICJAKSA-N 1 0 376.254 2.685 20 0 GFADRO [NH3+][C@@H]1CCCO[C@H]1C1CCN(C(=O)NCc2cccc(Br)c2)CC1 ZINC000333730079 563640659 /nfs/dbraw/zinc/64/06/59/563640659.db2.gz HQRIZCBZEBHAEB-SJORKVTESA-N 1 0 396.329 2.877 20 0 GFADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)Nc1ccc(Br)c(C)c1F ZINC000434956720 563640799 /nfs/dbraw/zinc/64/07/99/563640799.db2.gz UVZXIUZHHXUYRN-JTQLQIEISA-N 1 0 388.281 2.682 20 0 GFADRO O=C(NC[C@H]1CCC[NH2+]1)N1CCO[C@H](c2cc(F)c(Cl)cc2Cl)C1 ZINC000333792101 563641699 /nfs/dbraw/zinc/64/16/99/563641699.db2.gz GINXBKLVNVGZHM-BMIGLBTASA-N 1 0 376.259 2.967 20 0 GFADRO [NH3+][C@@H]1CCCO[C@H]1C1CCN(C(=O)Cc2cccc(Br)c2)CC1 ZINC000333790868 563641915 /nfs/dbraw/zinc/64/19/15/563641915.db2.gz GEWNVNBVOIPWBM-AEFFLSMTSA-N 1 0 381.314 2.737 20 0 GFADRO NC(=O)[C@]1(c2ccccc2)CC[N@H+](CCOc2ccccc2Br)C1 ZINC000411970548 563643245 /nfs/dbraw/zinc/64/32/45/563643245.db2.gz RUMLWNZQLUSSDR-LJQANCHMSA-N 1 0 389.293 2.957 20 0 GFADRO C[C@H](NC(=O)N[C@H]1COc2cc(F)c(Br)cc21)[C@H]1CCC[NH2+]C1 ZINC000333845097 563643329 /nfs/dbraw/zinc/64/33/29/563643329.db2.gz VZQKNJLEYCOREW-BHDSKKPTSA-N 1 0 386.265 2.709 20 0 GFADRO COc1ccc(C[NH2+]C(C)(C)CN2CCOCC2)c(Br)c1OC ZINC000412005822 563644142 /nfs/dbraw/zinc/64/41/42/563644142.db2.gz VEHSFEJSXVAMOP-UHFFFAOYSA-N 1 0 387.318 2.667 20 0 GFADRO O=S(=O)(c1cc(F)ccc1Br)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000435207629 563644802 /nfs/dbraw/zinc/64/48/02/563644802.db2.gz MVWBFEIPINOMFT-ZDUSSCGKSA-N 1 0 391.306 2.837 20 0 GFADRO Cc1cccc(S(=O)(=O)NCC[N@H+]2CCCC[C@@H]2C)c1Br ZINC000435221716 563645799 /nfs/dbraw/zinc/64/57/99/563645799.db2.gz ZRINIASSUHVOBL-ZDUSSCGKSA-N 1 0 375.332 2.910 20 0 GFADRO CS(=O)(=O)c1ccc(-c2nc(CN(C3CC3)[C@@H]3CC[NH2+]C3)cs2)cc1 ZINC000435236576 563646959 /nfs/dbraw/zinc/64/69/59/563646959.db2.gz JPTGPDBJNFBYSZ-MRXNPFEDSA-N 1 0 377.535 2.540 20 0 GFADRO CO[C@@H]1CCN(Cc2nc(-c3ccc(Br)cc3)c[nH]2)[C@H](C[NH3+])C1 ZINC000435387302 563649047 /nfs/dbraw/zinc/64/90/47/563649047.db2.gz ZGZDYRYRKWRAOZ-LSDHHAIUSA-N 1 0 379.302 2.777 20 0 GFADRO CCCN(CC[NH+]1CCCC1)C(=O)NCc1ccc(S(=O)(=O)CC)s1 ZINC000288662581 563652699 /nfs/dbraw/zinc/65/26/99/563652699.db2.gz YBLCPAXARYKRNI-UHFFFAOYSA-N 1 0 387.571 2.559 20 0 GFADRO CC1(C)CN(C(=O)C2CC[NH+]([C@H]3CCSC3)CC2)C[C@@H](C(F)(F)F)O1 ZINC000412356262 563655254 /nfs/dbraw/zinc/65/52/54/563655254.db2.gz FZPASRJNOWADEH-KBPBESRZSA-N 1 0 380.476 2.772 20 0 GFADRO CC(C)(NC(=O)c1cccc(Cl)c1)c1noc(C[C@@H]2CSCC[NH2+]2)n1 ZINC000435723262 563656968 /nfs/dbraw/zinc/65/69/68/563656968.db2.gz RMJJIDRUYKVRNM-CYBMUJFWSA-N 1 0 380.901 2.636 20 0 GFADRO C[C@H](NC(=O)NCCCC[NH+]1CCOCC1)c1ccc(Br)s1 ZINC000435800635 563658997 /nfs/dbraw/zinc/65/89/97/563658997.db2.gz QETSFPVMILWWJL-LBPRGKRZSA-N 1 0 390.347 2.983 20 0 GFADRO COC(=O)[C@H](c1ccc(Cl)cc1Cl)N1CC[NH+](CC(C)(C)O)CC1 ZINC000436094535 563664208 /nfs/dbraw/zinc/66/42/08/563664208.db2.gz UGWBTRFRWUJZBX-HNNXBMFYSA-N 1 0 375.296 2.596 20 0 GFADRO COCC[N@@H+]1CC[C@@H](NC(=O)N[C@@H](C)c2ccc(Br)s2)C1 ZINC000436263180 563668325 /nfs/dbraw/zinc/66/83/25/563668325.db2.gz SAFAZDRIXCJLET-WDEREUQCSA-N 1 0 376.320 2.592 20 0 GFADRO Cn1ncc(Cl)c1C[NH2+]C[C@H](CO)Cc1ccccc1OC(F)(F)F ZINC000436238167 563668629 /nfs/dbraw/zinc/66/86/29/563668629.db2.gz IVYOKIRRFXBTHH-LLVKDONJSA-N 1 0 377.794 2.913 20 0 GFADRO CS(=O)(=O)c1ccc(OCC[NH2+]Cc2c[nH]nc2-c2ccsc2)cc1 ZINC000436242156 563668657 /nfs/dbraw/zinc/66/86/57/563668657.db2.gz NIEJMEDCAQIADE-UHFFFAOYSA-N 1 0 377.491 2.710 20 0 GFADRO Cn1ncc(Cl)c1C[NH2+]CCCNC(=O)c1ccc(Br)cc1 ZINC000436232042 563668686 /nfs/dbraw/zinc/66/86/86/563668686.db2.gz MOLDIYOCMRYFEO-UHFFFAOYSA-N 1 0 385.693 2.746 20 0 GFADRO COC(=O)CN1CCC([NH2+][C@H](CCO)c2ccc(Cl)c(Cl)c2)CC1 ZINC000289771676 563686653 /nfs/dbraw/zinc/68/66/53/563686653.db2.gz RHXNIYYCYYUDBC-MRXNPFEDSA-N 1 0 375.296 2.644 20 0 GFADRO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1cc(Br)ccc1N1CCOCC1 ZINC000289898456 563690317 /nfs/dbraw/zinc/69/03/17/563690317.db2.gz IZMKTUIISLNTGI-KBPBESRZSA-N 1 0 382.302 2.612 20 0 GFADRO O=C(c1ccc(I)cc1Cl)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000289932453 563691478 /nfs/dbraw/zinc/69/14/78/563691478.db2.gz VSTGGRPUESLNPS-UWVGGRQHSA-N 1 0 390.652 2.626 20 0 GFADRO Cc1cc(Br)oc1C(=O)N[C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@@H]1C ZINC000360535500 563692584 /nfs/dbraw/zinc/69/25/84/563692584.db2.gz CUECBFMZSLIZFF-MELADBBJSA-N 1 0 385.302 2.970 20 0 GFADRO C[C@@]1(C[C@H]2CCC[N@@H+]2Cc2ccc(F)cc2Br)NC(=O)NC1=O ZINC000289963242 563693035 /nfs/dbraw/zinc/69/30/35/563693035.db2.gz ZECLDBSZZNJJLX-WBMJQRKESA-N 1 0 384.249 2.541 20 0 GFADRO COCC(COC)[NH+]1CCN(c2ccnc3cc(Br)ccc32)CC1 ZINC000413468332 563693184 /nfs/dbraw/zinc/69/31/84/563693184.db2.gz BXOUCFSWXHNQBG-UHFFFAOYSA-N 1 0 394.313 2.781 20 0 GFADRO O=C(c1ccc(C2SCCS2)cc1)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000360585314 563693813 /nfs/dbraw/zinc/69/38/13/563693813.db2.gz RCVAWZUKODUKIX-SJORKVTESA-N 1 0 378.563 2.836 20 0 GFADRO CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)c3cc(Cl)c(N)c(Cl)c3)C2)CC1 ZINC000360829518 563695319 /nfs/dbraw/zinc/69/53/19/563695319.db2.gz NUXAPLRPQKDPEB-CQSZACIVSA-N 1 0 385.339 2.816 20 0 GFADRO C[C@@H]1CN(c2cc(Br)cnc2C(N)=O)CC[N@@H+]1Cc1ccccc1 ZINC000413530848 563696090 /nfs/dbraw/zinc/69/60/90/563696090.db2.gz KQZNHTYJIKOUHJ-CYBMUJFWSA-N 1 0 389.297 2.654 20 0 GFADRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)c1cc2c(s1)CCS(=O)(=O)C2 ZINC000360899781 563696389 /nfs/dbraw/zinc/69/63/89/563696389.db2.gz BEVSZNLTMZGNOO-AWEZNQCLSA-N 1 0 384.567 2.603 20 0 GFADRO C[NH+](C)C[C@H]1CN(C(=O)c2cccc(Br)n2)c2ccccc2O1 ZINC000361089909 563697136 /nfs/dbraw/zinc/69/71/36/563697136.db2.gz WKIWDCYUOIDLMR-LBPRGKRZSA-N 1 0 376.254 2.814 20 0 GFADRO O=C(/C=C/c1csc(Br)c1)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000361256260 563697792 /nfs/dbraw/zinc/69/77/92/563697792.db2.gz ARCFTOZKSDPYIH-VSZDKKFSSA-N 1 0 385.327 2.893 20 0 GFADRO COc1ccc([C@H](C)[NH2+][C@H]2CCN(C3CCOCC3)C2=O)cc1Br ZINC000361943529 563702087 /nfs/dbraw/zinc/70/20/87/563702087.db2.gz KPMJAXGRVJSCJE-LRDDRELGSA-N 1 0 397.313 2.888 20 0 GFADRO O=C1NC(=O)C2(CCC([NH2+][C@H]3CCc4c3cccc4Br)CC2)N1 ZINC000362041292 563702995 /nfs/dbraw/zinc/70/29/95/563702995.db2.gz RPNZIXYJRXKRDK-DPBGWIHLSA-N 1 0 378.270 2.547 20 0 GFADRO Cc1cc(Br)cn2c(CN3CC[N@@H+](CC(C)(C)O)C[C@@H]3C)cnc12 ZINC000438281882 563703452 /nfs/dbraw/zinc/70/34/52/563703452.db2.gz LWJPYKSXZGIGND-AWEZNQCLSA-N 1 0 395.345 2.682 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000362161527 563704673 /nfs/dbraw/zinc/70/46/73/563704673.db2.gz MXRRIEKNNBSNCW-XFBWCDHKSA-N 1 0 393.336 2.866 20 0 GFADRO Cc1cccc([C@@H](O)C[NH2+]C2CCN(S(=O)(=O)c3cccs3)CC2)c1 ZINC000362304846 563705383 /nfs/dbraw/zinc/70/53/83/563705383.db2.gz REDUANWQGCRBGC-KRWDZBQOSA-N 1 0 380.535 2.533 20 0 GFADRO COCCN(C[C@H](C)c1cccc(Br)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000290358259 563706132 /nfs/dbraw/zinc/70/61/32/563706132.db2.gz GQLFSRIKSSMKCY-XJKSGUPXSA-N 1 0 390.343 2.688 20 0 GFADRO Brc1cc(CN2CCC(c3nnc[nH]3)CC2)cc2c1OCCO2 ZINC000362386547 563706373 /nfs/dbraw/zinc/70/63/73/563706373.db2.gz UJTUMVOSJCBJPN-UHFFFAOYSA-N 1 0 379.258 2.718 20 0 GFADRO O=C(N[C@@H](CO)C[NH+]1CCCCC1)c1cc2c(cccc2Br)[nH]1 ZINC000413824600 563706738 /nfs/dbraw/zinc/70/67/38/563706738.db2.gz WRCVQGNURCGDIP-GFCCVEGCSA-N 1 0 380.286 2.507 20 0 GFADRO C[NH+]1CCC2(CCCN2C(=O)CNC(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000362617396 563707602 /nfs/dbraw/zinc/70/76/02/563707602.db2.gz PJZMMIWALLEOFI-UHFFFAOYSA-N 1 0 384.307 2.810 20 0 GFADRO O[C@@H](COc1cc(F)cc(Br)c1)C[N@@H+]1CCC[C@H](n2cccn2)C1 ZINC000438834692 563712367 /nfs/dbraw/zinc/71/23/67/563712367.db2.gz ATWAESFCMXKHMO-JKSUJKDBSA-N 1 0 398.276 2.862 20 0 GFADRO Cn1c(COc2ccccc2Cl)nnc1SC[C@H](O)C[N@H+](C)C1CC1 ZINC000290526108 563712694 /nfs/dbraw/zinc/71/26/94/563712694.db2.gz CWNPBNXMTQNSEC-CYBMUJFWSA-N 1 0 382.917 2.595 20 0 GFADRO COC(=O)[C@H](Sc1nnnn1CC[NH+](C)C)c1cc(Cl)cc(Cl)c1 ZINC000438890657 563712731 /nfs/dbraw/zinc/71/27/31/563712731.db2.gz PHGVVRAUKMWEHO-GFCCVEGCSA-N 1 0 390.296 2.548 20 0 GFADRO COc1ccc(OCC[NH2+][C@@H](C)Cn2cc(Br)ccc2=O)cc1 ZINC000414060172 563717299 /nfs/dbraw/zinc/71/72/99/563717299.db2.gz JECQDZOZCIVZDR-ZDUSSCGKSA-N 1 0 381.270 2.677 20 0 GFADRO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NC1CCN(Cc2cccc(Br)c2)CC1 ZINC000414057314 563717522 /nfs/dbraw/zinc/71/75/22/563717522.db2.gz RJANVBRRBFGBPP-KDOFPFPSSA-N 1 0 394.357 2.727 20 0 GFADRO O=S(=O)(Cc1ccon1)NCC[NH2+][C@@H]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000414112232 563719580 /nfs/dbraw/zinc/71/95/80/563719580.db2.gz MYOCAHZYYIJLGX-GOEBONIOSA-N 1 0 383.901 2.673 20 0 GFADRO O=C(Cc1ccccc1Br)NC[C@H]1CCC[C@@H]1[NH+]1CCOCC1 ZINC000363363222 563720219 /nfs/dbraw/zinc/72/02/19/563720219.db2.gz UJRDWXOIQJHYOR-WBVHZDCISA-N 1 0 381.314 2.609 20 0 GFADRO COCCC[N@@H+]1CCCN(C(=O)Cc2ccc(F)c(Br)c2)CC1 ZINC000363378662 563721055 /nfs/dbraw/zinc/72/10/55/563721055.db2.gz BWRYRDYYPIWVFX-UHFFFAOYSA-N 1 0 387.293 2.702 20 0 GFADRO CSC1(C[NH2+]Cc2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)CCC1 ZINC000290788904 563721100 /nfs/dbraw/zinc/72/11/00/563721100.db2.gz CXAUGWMRCVVSFT-INIZCTEOSA-N 1 0 384.567 2.519 20 0 GFADRO C[C@H]([NH2+]CC1(N2CCOCC2)CCOCC1)c1ccccc1Br ZINC000414186838 563721940 /nfs/dbraw/zinc/72/19/40/563721940.db2.gz PKXWHJQABOEVDT-HNNXBMFYSA-N 1 0 383.330 2.981 20 0 GFADRO C[C@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH2+]C[C@H]1CNC(=O)C1 ZINC000414188800 563721966 /nfs/dbraw/zinc/72/19/66/563721966.db2.gz DYXRISKJTJZULB-ZJUUUORDSA-N 1 0 377.794 2.802 20 0 GFADRO C[NH+](C)CC(C)(C)CN(C(=O)Cn1cccn1)c1ccc(Br)cn1 ZINC000439298472 563722195 /nfs/dbraw/zinc/72/21/95/563722195.db2.gz OAOZYEGKZPGPCU-UHFFFAOYSA-N 1 0 394.317 2.662 20 0 GFADRO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+][C@@H]2CCCC[C@@H]2S(C)(=O)=O)c1 ZINC000414205768 563722591 /nfs/dbraw/zinc/72/25/91/563722591.db2.gz DEHHRNSMECRUDB-CVEARBPZSA-N 1 0 393.958 2.579 20 0 GFADRO C[C@@H]1CC[N@H+](C)CCN1C(=O)C(=O)Nc1ccc(Br)c(Cl)c1 ZINC000439340042 563723126 /nfs/dbraw/zinc/72/31/26/563723126.db2.gz HXISWFPDKFDGPL-SNVBAGLBSA-N 1 0 388.693 2.594 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+]CCCOc2ccccc2)cc1Br ZINC000414254925 563723805 /nfs/dbraw/zinc/72/38/05/563723805.db2.gz BTQSOTJVRZMTBU-UHFFFAOYSA-N 1 0 399.310 2.655 20 0 GFADRO C[C@@H]1C[N@H+](C[C@H](O)COc2cc(F)cc(Br)c2)[C@@H](C)[C@@H](C)O1 ZINC000439440712 563725293 /nfs/dbraw/zinc/72/52/93/563725293.db2.gz OQJPJBLJKJDFOQ-ZAZJYDDPSA-N 1 0 376.266 2.826 20 0 GFADRO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@@H](CO)c1ccc(F)cc1 ZINC000414290353 563725432 /nfs/dbraw/zinc/72/54/32/563725432.db2.gz NKWGMADVRYQVJY-JSGCOSHPSA-N 1 0 383.261 2.504 20 0 GFADRO CCn1cc[nH+]c1NCc1cc(Br)ccc1O[C@@H](C)C(=O)NC ZINC000414306436 563725513 /nfs/dbraw/zinc/72/55/13/563725513.db2.gz TUMGVPYGNUPXRI-NSHDSACASA-N 1 0 381.274 2.791 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(I)c(F)c1 ZINC000363568940 563727000 /nfs/dbraw/zinc/72/70/00/563727000.db2.gz HQXYDLZZUWRDRI-NEPJUHHUSA-N 1 0 388.224 2.787 20 0 GFADRO Cc1ccc(C[NH2+]CCC(=O)N(C)Cc2ccccc2Br)nn1 ZINC000414339070 563727506 /nfs/dbraw/zinc/72/75/06/563727506.db2.gz FOYJBVWDEDLNIS-UHFFFAOYSA-N 1 0 377.286 2.686 20 0 GFADRO CCS(=O)(=O)CCC[NH2+][C@H](C)c1ccc(I)cc1 ZINC000414333506 563727624 /nfs/dbraw/zinc/72/76/24/563727624.db2.gz FSSCLQKVJRBDLR-LLVKDONJSA-N 1 0 381.279 2.767 20 0 GFADRO CCS(=O)(=O)CCC[NH2+][C@H](C)c1ccc(F)c(I)c1 ZINC000414334940 563727651 /nfs/dbraw/zinc/72/76/51/563727651.db2.gz GRJBOLGOSXTKEA-SNVBAGLBSA-N 1 0 399.269 2.906 20 0 GFADRO C[C@H](CN[C@@H](C(N)=O)c1ccc(Br)cc1F)[N@@H+]1CCCC[C@H]1C ZINC000439557885 563728196 /nfs/dbraw/zinc/72/81/96/563728196.db2.gz WGVKFZDYQBENBV-XHBSWPGZSA-N 1 0 386.309 2.967 20 0 GFADRO CC[C@H]([NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1)c1ccncc1 ZINC000414358602 563729296 /nfs/dbraw/zinc/72/92/96/563729296.db2.gz MFIFWKYBGVUKFF-AWEZNQCLSA-N 1 0 384.299 2.732 20 0 GFADRO O=C(C[N@@H+]1CCS[C@H]2CCCC[C@H]21)N1CCN(Cc2cccs2)CC1 ZINC000439616622 563729983 /nfs/dbraw/zinc/72/99/83/563729983.db2.gz SKPWFSFXLKAZQN-MSOLQXFVSA-N 1 0 379.595 2.752 20 0 GFADRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NS(=O)(=O)c1ccc(Br)s1 ZINC000440079341 563735169 /nfs/dbraw/zinc/73/51/69/563735169.db2.gz XKHVFDSUWXCSIX-GHMZBOCLSA-N 1 0 381.361 2.909 20 0 GFADRO CS(=O)(=O)c1ccc(C[NH2+]CCc2ccc(OCC(F)(F)F)nc2)s1 ZINC000414427327 563736743 /nfs/dbraw/zinc/73/67/43/563736743.db2.gz FCXYKXHAIJAOOB-UHFFFAOYSA-N 1 0 394.440 2.820 20 0 GFADRO C[NH2+]C[C@H]1CCCN(S(=O)(=O)c2c(C)cc(Br)cc2C)C1 ZINC000440340185 563739034 /nfs/dbraw/zinc/73/90/34/563739034.db2.gz NHKRBKWZEZRTSD-CYBMUJFWSA-N 1 0 375.332 2.686 20 0 GFADRO C[NH2+]C[C@@H]1CCCN(S(=O)(=O)c2c(C)cc(Br)cc2C)C1 ZINC000440340187 563739226 /nfs/dbraw/zinc/73/92/26/563739226.db2.gz NHKRBKWZEZRTSD-ZDUSSCGKSA-N 1 0 375.332 2.686 20 0 GFADRO CCCN([C@@H]1CC[NH2+]C1)S(=O)(=O)c1cnn(-c2ccc(Cl)cc2)c1C ZINC000440355687 563739946 /nfs/dbraw/zinc/73/99/46/563739946.db2.gz HQBOKFVIXFWSBC-MRXNPFEDSA-N 1 0 382.917 2.597 20 0 GFADRO COc1cc(Cl)c(Cl)cc1C(=O)N1CCC[N@H+](CC(C)(C)O)CC1 ZINC000364065321 563741399 /nfs/dbraw/zinc/74/13/99/563741399.db2.gz CAZLTHKGXPWAPZ-UHFFFAOYSA-N 1 0 375.296 2.921 20 0 GFADRO O=S(=O)(c1cc(Br)sc1Cl)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000440436760 563742220 /nfs/dbraw/zinc/74/22/20/563742220.db2.gz JFJLPOHRVGFVMI-MRVPVSSYSA-N 1 0 385.736 2.679 20 0 GFADRO O[C@@H](Cn1cccn1)C[N@@H+]1CCC[C@@H]1c1ccccc1I ZINC000364067029 563742267 /nfs/dbraw/zinc/74/22/67/563742267.db2.gz QVLHRPZZWOZSPI-CZUORRHYSA-N 1 0 397.260 2.686 20 0 GFADRO COC(=O)c1cc(Br)cc(C(=O)N2CC[C@H]([NH+]3CCCC3)[C@@H]2C)c1 ZINC000291434480 563743121 /nfs/dbraw/zinc/74/31/21/563743121.db2.gz JVWMYACVAWMEHP-LRDDRELGSA-N 1 0 395.297 2.935 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S(=O)(=O)CC[NH2+][C@H]1CCCC[C@@H]1C ZINC000440512882 563744060 /nfs/dbraw/zinc/74/40/60/563744060.db2.gz LJBUSHMPIAIMFO-HOTGVXAUSA-N 1 0 387.567 2.812 20 0 GFADRO CCOCCOc1ccc(Br)cc1C[N@@H+]1CC[C@@H](C(=O)N(C)C)C1 ZINC000414494970 563744727 /nfs/dbraw/zinc/74/47/27/563744727.db2.gz GFHZRNNTHZVUDE-CQSZACIVSA-N 1 0 399.329 2.775 20 0 GFADRO CC(C)(O)C[N@@H+]1CCCN(C(=O)[C@@H]2C[C@@H]2c2cccc(Br)c2)CC1 ZINC000364157912 563744799 /nfs/dbraw/zinc/74/47/99/563744799.db2.gz BFYVIVVOYAYQFW-IAGOWNOFSA-N 1 0 395.341 2.858 20 0 GFADRO CCN(Cc1cccc(Br)c1)C(=O)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O ZINC000364172666 563745535 /nfs/dbraw/zinc/74/55/35/563745535.db2.gz JLMMWVRLYCQPRD-GOOCMWNKSA-N 1 0 379.298 2.612 20 0 GFADRO CC(C)(O)C[N@@H+]1CCCN(C(=O)/C=C/c2cc(Br)cs2)CC1 ZINC000364162326 563745558 /nfs/dbraw/zinc/74/55/58/563745558.db2.gz RVEZHHKCSJCLTM-SNAWJCMRSA-N 1 0 387.343 2.829 20 0 GFADRO CCS(=O)(=O)CCC[NH2+]Cc1cc(Br)ccc1OC(F)F ZINC000414540918 563745833 /nfs/dbraw/zinc/74/58/33/563745833.db2.gz HRWHRDPHUUEEHA-UHFFFAOYSA-N 1 0 386.258 2.965 20 0 GFADRO O[C@@H]1[C@@H]([NH2+]Cc2cc(Br)c3c(c2)OCCO3)CCCC1(F)F ZINC000414531144 563745980 /nfs/dbraw/zinc/74/59/80/563745980.db2.gz FSXPPTKINKEGRJ-SMDDNHRTSA-N 1 0 378.213 2.859 20 0 GFADRO CCOc1c(Br)cc(C[NH2+][C@H](CO)[C@@H]2CCCOC2)cc1OC ZINC000414540596 563746111 /nfs/dbraw/zinc/74/61/11/563746111.db2.gz BXOSADBVOCMKBY-UKRRQHHQSA-N 1 0 388.302 2.734 20 0 GFADRO [NH3+]Cc1cc(C(=O)N2CCC[C@H]2C(=O)Nc2ccc(Br)cc2)co1 ZINC000364218594 563746327 /nfs/dbraw/zinc/74/63/27/563746327.db2.gz HQDLYRNBVFGCPS-HNNXBMFYSA-N 1 0 392.253 2.744 20 0 GFADRO CSCC[C@H]([NH3+])C(=O)NC1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000364241226 563746873 /nfs/dbraw/zinc/74/68/73/563746873.db2.gz ZSHNFJZVWPIDHG-HNNXBMFYSA-N 1 0 375.460 2.871 20 0 GFADRO C[C@@H](NS(=O)(=O)c1cccc(Cl)c1Br)[C@H]1CCC[NH2+]C1 ZINC000440740447 563748834 /nfs/dbraw/zinc/74/88/34/563748834.db2.gz ZLWOGWQXSWONKR-ZJUUUORDSA-N 1 0 381.723 2.769 20 0 GFADRO [NH3+]C[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1cc(Cl)ccc1Br ZINC000440732805 563748900 /nfs/dbraw/zinc/74/89/00/563748900.db2.gz IKDRMLWHXQQARE-CABZTGNLSA-N 1 0 381.723 2.898 20 0 GFADRO O=C(Nc1cccc(I)c1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000414689127 563750267 /nfs/dbraw/zinc/75/02/67/563750267.db2.gz FWGGAZCMDSYDJB-HNNXBMFYSA-N 1 0 385.249 2.899 20 0 GFADRO C[NH2+]CCC1CCN(S(=O)(=O)c2cc(F)c(Br)cc2F)CC1 ZINC000440835788 563751096 /nfs/dbraw/zinc/75/10/96/563751096.db2.gz VAEKHGJUGAANLD-UHFFFAOYSA-N 1 0 397.285 2.738 20 0 GFADRO COc1ccc(Br)c(CNC(=O)N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)c1 ZINC000440913376 563753294 /nfs/dbraw/zinc/75/32/94/563753294.db2.gz XZQGDVWLVAMHTJ-AAEUAGOBSA-N 1 0 382.302 2.882 20 0 GFADRO CCOC(=O)COc1c(Br)cc(C)cc1CNC[C@@H]([NH3+])C1CC1 ZINC000414891956 563753329 /nfs/dbraw/zinc/75/33/29/563753329.db2.gz PAYBAAJQAAVSPD-OAHLLOKOSA-N 1 0 385.302 2.526 20 0 GFADRO [NH3+]C1CCN(C(=O)Nc2ccc(I)cc2Cl)CC1 ZINC000414802822 563753534 /nfs/dbraw/zinc/75/35/34/563753534.db2.gz VYXDFBPAWSMKIS-UHFFFAOYSA-N 1 0 379.629 2.900 20 0 GFADRO CCOC(=O)COc1c(Br)cc(C)cc1CN[C@@H]1CCC[NH2+]C1 ZINC000414862724 563753608 /nfs/dbraw/zinc/75/36/08/563753608.db2.gz HNTGKYSSZJPMIX-CQSZACIVSA-N 1 0 385.302 2.541 20 0 GFADRO [NH3+]CC[C@@H](NC(=O)Nc1ccc(OC(F)F)cc1OC(F)F)C(F)F ZINC000414878271 563753883 /nfs/dbraw/zinc/75/38/83/563753883.db2.gz YYQURWFRZRTKLZ-MRVPVSSYSA-N 1 0 375.269 2.993 20 0 GFADRO [NH3+]CC1(NC(=O)Nc2cc(Br)ccc2N2CCOCC2)CCCC1 ZINC000414926396 563754211 /nfs/dbraw/zinc/75/42/11/563754211.db2.gz KHZAAGVGZTWBGP-UHFFFAOYSA-N 1 0 397.317 2.679 20 0 GFADRO C[C@H](C[NH3+])NCc1cc(I)c(Br)cc1F ZINC000414934147 563754229 /nfs/dbraw/zinc/75/42/29/563754229.db2.gz VAASNDWIMMOZDN-ZCFIWIBFSA-N 1 0 387.034 2.630 20 0 GFADRO CCN(CCC[NH+](CC)CC)C(=O)C(=O)Nc1ncc(C(F)(F)F)s1 ZINC000291713119 563754956 /nfs/dbraw/zinc/75/49/56/563754956.db2.gz JQAXEUIEYNAZAA-UHFFFAOYSA-N 1 0 380.436 2.681 20 0 GFADRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3nc(C4CC4)ncc3Br)CC[C@@H]21 ZINC000291732324 563756333 /nfs/dbraw/zinc/75/63/33/563756333.db2.gz JUAQUOQRRVHKJZ-JSGCOSHPSA-N 1 0 379.302 2.673 20 0 GFADRO O=S(=O)(NCC[NH2+]Cc1ccc(Cl)cc1F)c1ccc(F)cc1F ZINC000441336059 563757790 /nfs/dbraw/zinc/75/77/90/563757790.db2.gz AKQOMINYINDSLB-UHFFFAOYSA-N 1 0 378.803 2.825 20 0 GFADRO C[C@H]1C[C@H](N(C)S(=O)(=O)CCc2ccccc2Br)CC[N@@H+]1C ZINC000291781156 563758150 /nfs/dbraw/zinc/75/81/50/563758150.db2.gz WVFPKLILEDUGFP-DZGCQCFKSA-N 1 0 389.359 2.736 20 0 GFADRO O=C(Nc1ccc(CCn2cc(Br)cn2)cc1)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000364592372 563758325 /nfs/dbraw/zinc/75/83/25/563758325.db2.gz TZUDFIOEELSXSM-SJLPKXTDSA-N 1 0 389.297 2.826 20 0 GFADRO O=S(=O)(NCC[NH2+]Cc1cc(F)c(F)c(F)c1)c1ccc(Cl)cc1F ZINC000441382218 563758841 /nfs/dbraw/zinc/75/88/41/563758841.db2.gz NQKIRZHJNKCVAY-UHFFFAOYSA-N 1 0 396.793 2.965 20 0 GFADRO C[C@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH2+]C[C@H]1CNCCO1 ZINC000415091889 563758938 /nfs/dbraw/zinc/75/89/38/563758938.db2.gz DIJCSMNCEWZAFT-ZYHUDNBSSA-N 1 0 379.810 2.654 20 0 GFADRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)Nc1cc(F)c(I)c(F)c1 ZINC000415118885 563759500 /nfs/dbraw/zinc/75/95/00/563759500.db2.gz KBPGZQFGZYYXSZ-RDDDGLTNSA-N 1 0 395.191 2.689 20 0 GFADRO CN1CCC[C@@]2(CC[N@H+](Cc3nc4cc(Br)ccc4[nH]3)C2)C1=O ZINC000364609641 563759605 /nfs/dbraw/zinc/75/96/05/563759605.db2.gz ZENYGGIWATWEMM-KRWDZBQOSA-N 1 0 377.286 2.770 20 0 GFADRO CN(C(=O)c1cc(F)ccc1I)[C@@H]1CCC[NH2+]CC1 ZINC000364641631 563760375 /nfs/dbraw/zinc/76/03/75/563760375.db2.gz NQSNZCKXHLCNFE-LLVKDONJSA-N 1 0 376.213 2.644 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)C(=O)N1CCCC12CC[NH+](C)CC2 ZINC000364766804 563763235 /nfs/dbraw/zinc/76/32/35/563763235.db2.gz CNZYZKBRSSBMAY-UHFFFAOYSA-N 1 0 394.313 2.783 20 0 GFADRO C[C@H](C(=O)Nc1ccc(=O)n(CC[NH+](C)C)c1)c1cccc(Br)c1 ZINC000291884985 563763582 /nfs/dbraw/zinc/76/35/82/563763582.db2.gz JJIOJUHKWBYFLA-ZDUSSCGKSA-N 1 0 392.297 2.915 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H](NC(=O)Nc2cc(F)c(F)cc2I)C1 ZINC000415245052 563763658 /nfs/dbraw/zinc/76/36/58/563763658.db2.gz ZEFUIQQUKTTYOR-HTQZYQBOSA-N 1 0 395.191 2.961 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCN(C(=O)Nc2ccc(F)cc2I)C1 ZINC000415248018 563763687 /nfs/dbraw/zinc/76/36/87/563763687.db2.gz FXHKUKPXGLMVGF-IUCAKERBSA-N 1 0 377.201 2.631 20 0 GFADRO C[NH2+]C[C@H]1CCCN1C(=O)Nc1ccc(F)cc1I ZINC000415254510 563764085 /nfs/dbraw/zinc/76/40/85/563764085.db2.gz SSTNFYXLANBVGN-SNVBAGLBSA-N 1 0 377.201 2.646 20 0 GFADRO O=C(NCC[C@@H]1CCC[NH2+]C1)Nc1ccc(F)cc1I ZINC000415257310 563764145 /nfs/dbraw/zinc/76/41/45/563764145.db2.gz YWGRWWHGHCRYLR-JTQLQIEISA-N 1 0 391.228 2.942 20 0 GFADRO C[C@H]([NH2+][C@H]1CCN(CCN2CCOCC2)C1)c1cc(Br)cs1 ZINC000364802536 563764503 /nfs/dbraw/zinc/76/45/03/563764503.db2.gz FOBBUQPGJGVWBT-ZFWWWQNUSA-N 1 0 388.375 2.568 20 0 GFADRO CN(C(=O)c1cc(=O)[nH]c2c(Br)cccc12)[C@@H]1CCC[NH2+]CC1 ZINC000364805643 563764518 /nfs/dbraw/zinc/76/45/18/563764518.db2.gz VUVOKQSZHMTLQE-LLVKDONJSA-N 1 0 378.270 2.917 20 0 GFADRO O=C(Nc1cc(I)ccc1Cl)N[C@@H]1CCC[NH2+]C1 ZINC000415271947 563765064 /nfs/dbraw/zinc/76/50/64/563765064.db2.gz SNOURSUMKOLNDG-SECBINFHSA-N 1 0 379.629 2.818 20 0 GFADRO CCOc1ccc(Br)cc1NC(=O)C(=O)NCC1([NH3+])CCCCC1 ZINC000415289380 563765362 /nfs/dbraw/zinc/76/53/62/563765362.db2.gz CKNMOOHCUCGYHU-UHFFFAOYSA-N 1 0 398.301 2.564 20 0 GFADRO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)Nc2cc(Cl)ccc2C(F)(F)F)C1 ZINC000415279876 563765705 /nfs/dbraw/zinc/76/57/05/563765705.db2.gz IDIGQZQTHKABOU-JTQLQIEISA-N 1 0 377.794 2.755 20 0 GFADRO Cc1c(Br)ccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1F ZINC000364824730 563765769 /nfs/dbraw/zinc/76/57/69/563765769.db2.gz UZXXFVMYHQTJOR-VXGBXAGGSA-N 1 0 398.276 2.578 20 0 GFADRO [NH3+]CC1CCN(C(=O)C(=O)Nc2ccc(Br)c3ccccc23)CC1 ZINC000415302647 563766010 /nfs/dbraw/zinc/76/60/10/563766010.db2.gz NRWDBCGDRDRVNG-UHFFFAOYSA-N 1 0 390.281 2.738 20 0 GFADRO O=C(Nc1ccc(Br)c(Cl)c1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000415332405 563767453 /nfs/dbraw/zinc/76/74/53/563767453.db2.gz URAMKCBZTBLJQV-GFCCVEGCSA-N 1 0 387.709 2.614 20 0 GFADRO C[C@H](NC(=O)C(=O)Nc1cc(Cl)cc(C(F)(F)F)c1)[C@@H]1CCC[NH2+]C1 ZINC000415344044 563768063 /nfs/dbraw/zinc/76/80/63/563768063.db2.gz CNNRCHJVPQMFFV-VHSXEESVSA-N 1 0 377.794 2.802 20 0 GFADRO CCOC(=O)c1cc(Br)ccc1NC(=O)N1CCC[C@H]([NH2+]C)C1 ZINC000415343438 563768073 /nfs/dbraw/zinc/76/80/73/563768073.db2.gz BMRCEFFDXVTKQG-LBPRGKRZSA-N 1 0 384.274 2.842 20 0 GFADRO COC(=O)c1cc(Br)ccc1NC(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000415336633 563768122 /nfs/dbraw/zinc/76/81/22/563768122.db2.gz SPYZOAZPWVVVJM-JTQLQIEISA-N 1 0 384.274 2.827 20 0 GFADRO C[C@H]1C[C@@H](NC(=O)C(=O)Nc2ccc(C(F)(F)F)cc2Cl)CC[N@@H+]1C ZINC000442151824 563768671 /nfs/dbraw/zinc/76/86/71/563768671.db2.gz QVKNIHREBLGIOY-ONGXEEELSA-N 1 0 377.794 2.896 20 0 GFADRO C[C@@H](CO)[N@@H+]1CCCN(C(=O)/C=C/c2cc(Br)ccc2F)CC1 ZINC000364929115 563768743 /nfs/dbraw/zinc/76/87/43/563768743.db2.gz AMRPPXPNEWFMPL-YIALFULDSA-N 1 0 385.277 2.517 20 0 GFADRO CCOC(=O)c1c(NC(=O)N2CCC[C@H]2C[NH2+]C)sc2c1CCSC2 ZINC000415344280 563768788 /nfs/dbraw/zinc/76/87/88/563768788.db2.gz VZYIFVWNGBXEOH-NSHDSACASA-N 1 0 383.539 2.930 20 0 GFADRO C[C@H](CO)[N@@H+]1CCCN(C(=O)/C=C/c2cc(Br)ccc2F)CC1 ZINC000364929114 563768947 /nfs/dbraw/zinc/76/89/47/563768947.db2.gz AMRPPXPNEWFMPL-VUUYWXRKSA-N 1 0 385.277 2.517 20 0 GFADRO C[C@H](CO)[N@@H+]1CCCN(CC(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)CC1 ZINC000364954740 563769242 /nfs/dbraw/zinc/76/92/42/563769242.db2.gz LWKOGHPNWHHGJR-KGLIPLIRSA-N 1 0 388.339 2.559 20 0 GFADRO C[C@H](NC(=O)C(=O)Nc1ccc(Br)cc1Cl)[C@H]1CCC[NH2+]C1 ZINC000415353336 563769418 /nfs/dbraw/zinc/76/94/18/563769418.db2.gz LMSACHWULYVEQL-UWVGGRQHSA-N 1 0 388.693 2.545 20 0 GFADRO C[C@@H](NC(=O)C(=O)Nc1cccc(Br)c1Cl)[C@H]1CCC[NH2+]C1 ZINC000415349948 563769438 /nfs/dbraw/zinc/76/94/38/563769438.db2.gz HEOMEVJTIIOUPE-ZJUUUORDSA-N 1 0 388.693 2.545 20 0 GFADRO C[C@H](CO)[N@@H+]1CCCN(C(=O)C(C)(C)c2ccc(Br)cc2)CC1 ZINC000364939517 563769778 /nfs/dbraw/zinc/76/97/78/563769778.db2.gz XWAQNQBHONXPPX-CQSZACIVSA-N 1 0 383.330 2.642 20 0 GFADRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)Nc1cnn(-c2ccccc2Br)c1 ZINC000415354599 563770108 /nfs/dbraw/zinc/77/01/08/563770108.db2.gz NQONLZUTHJPORY-VXGBXAGGSA-N 1 0 378.274 2.836 20 0 GFADRO C[NH2+][C@@H]1CCN(C(=O)Nc2c(-c3ccc(Br)cc3)c(C)nn2C)C1 ZINC000415363149 563770647 /nfs/dbraw/zinc/77/06/47/563770647.db2.gz RAAYLYIIZACMER-CQSZACIVSA-N 1 0 392.301 2.984 20 0 GFADRO CC[NH2+]CCNC(=O)C(=O)Nc1ccc(Sc2nc(C)cs2)c(Cl)c1 ZINC000415373798 563771437 /nfs/dbraw/zinc/77/14/37/563771437.db2.gz XIZGWCOMBDUJJX-UHFFFAOYSA-N 1 0 398.941 2.920 20 0 GFADRO Cc1cc(F)c(NC(=O)N2C[C@@H](C[NH3+])C[C@@H]2C)c(I)c1 ZINC000415396693 563772623 /nfs/dbraw/zinc/77/26/23/563772623.db2.gz UTFJYRDACDCMQP-VHSXEESVSA-N 1 0 391.228 2.940 20 0 GFADRO Cc1cc(F)c(NC(=O)N2CCC[C@@H]2C[NH3+])c(I)c1 ZINC000415400352 563772765 /nfs/dbraw/zinc/77/27/65/563772765.db2.gz ZHJWRUACOUZREA-SECBINFHSA-N 1 0 377.201 2.694 20 0 GFADRO COC(=O)c1nc(N[C@@H]2CC[N@H+](Cc3cnc(C)s3)C[C@H]2C)sc1C ZINC000365052796 563772893 /nfs/dbraw/zinc/77/28/93/563772893.db2.gz KKMBOIXWSAQBJB-QMTHXVAHSA-N 1 0 380.539 3.326 20 0 GFADRO C[NH2+]C[C@H](C)CNC(=O)C(=O)Nc1ccc(Br)c(Cl)c1Cl ZINC000415406597 563773010 /nfs/dbraw/zinc/77/30/10/563773010.db2.gz DTZLAYOPQJVOQW-ZETCQYMHSA-N 1 0 397.100 2.666 20 0 GFADRO COC(=O)c1cc(NC(=O)N2CCC[C@@H]([C@H](C)[NH3+])C2)ccc1Br ZINC000415409788 563773582 /nfs/dbraw/zinc/77/35/82/563773582.db2.gz UAXDFHOOJGREFA-WDEREUQCSA-N 1 0 384.274 2.827 20 0 GFADRO [NH3+][C@H]1CCC[C@@]12CCN(C(=O)c1cnn(-c3cccc(Br)c3)c1)C2 ZINC000365106668 563774107 /nfs/dbraw/zinc/77/41/07/563774107.db2.gz VXEBLTDWQGUMOI-WMZOPIPTSA-N 1 0 389.297 2.978 20 0 GFADRO COCCOc1ccc(Br)cc1NC(=O)N[C@@H](CC[NH3+])C(F)F ZINC000415429060 563775042 /nfs/dbraw/zinc/77/50/42/563775042.db2.gz QVKAKGQUTWTCPW-JTQLQIEISA-N 1 0 396.232 2.578 20 0 GFADRO CC(C)c1cc(Br)ccc1NC(=O)C(=O)N1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000415432936 563775561 /nfs/dbraw/zinc/77/55/61/563775561.db2.gz HQWWJJXRDGTKLC-FZMZJTMJSA-N 1 0 382.302 2.707 20 0 GFADRO Cc1cc(NC(=O)C(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)cc(C)c1Br ZINC000415436374 563775769 /nfs/dbraw/zinc/77/57/69/563775769.db2.gz JYUWGYJRSHGOAH-OLZOCXBDSA-N 1 0 382.302 2.590 20 0 GFADRO O=C(CC[C@@H]1CCC[NH2+]1)Nc1ncn(Cc2cccc(Br)c2)n1 ZINC000292155496 563776562 /nfs/dbraw/zinc/77/65/62/563776562.db2.gz URKFPEYSYXGBSK-AWEZNQCLSA-N 1 0 378.274 2.560 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)C1 ZINC000415458277 563776894 /nfs/dbraw/zinc/77/68/94/563776894.db2.gz YHYNMYLLPASTAU-VHSXEESVSA-N 1 0 377.794 2.883 20 0 GFADRO O=C(Nc1nc(Cc2ccccc2Br)cs1)N1CC[NH2+]CC1 ZINC000415456962 563777046 /nfs/dbraw/zinc/77/70/46/563777046.db2.gz WWWUWWKZLZROBA-UHFFFAOYSA-N 1 0 381.299 2.934 20 0 GFADRO CCCC[N@@H+]1CCCC[C@H]1CNS(=O)(=O)c1c(C)csc1C(=O)OC ZINC000442739998 563777375 /nfs/dbraw/zinc/77/73/75/563777375.db2.gz KWFIMQUCWVFIHX-AWEZNQCLSA-N 1 0 388.555 2.776 20 0 GFADRO COC(=O)c1cc(Br)c(F)cc1NC(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000415469088 563777494 /nfs/dbraw/zinc/77/74/94/563777494.db2.gz KVXZYLQBZQMJAP-IUCAKERBSA-N 1 0 388.237 2.624 20 0 GFADRO COC(=O)c1cc(Br)c(F)cc1NC(=O)N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000415469797 563777555 /nfs/dbraw/zinc/77/75/55/563777555.db2.gz MOFJNTXCAHIBDG-DTWKUNHWSA-N 1 0 388.237 2.637 20 0 GFADRO COC(=O)c1cc(Br)c(F)cc1NC(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000415469087 563777597 /nfs/dbraw/zinc/77/75/97/563777597.db2.gz KVXZYLQBZQMJAP-DTWKUNHWSA-N 1 0 388.237 2.624 20 0 GFADRO CCC([NH3+])(CC)CNC(=O)C(=O)Nc1cc2c(cc1Br)CCC2 ZINC000415473872 563777606 /nfs/dbraw/zinc/77/76/06/563777606.db2.gz IISNKHIOHMSYAL-UHFFFAOYSA-N 1 0 382.302 2.510 20 0 GFADRO COC(=O)c1cc(Br)c(F)cc1NC(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000415471901 563777676 /nfs/dbraw/zinc/77/76/76/563777676.db2.gz SLZFLHGJFXRQMZ-DTWKUNHWSA-N 1 0 388.237 2.766 20 0 GFADRO COC(=O)c1cc(Br)c(F)cc1NC(=O)N[C@H](C)CCC[NH3+] ZINC000415471107 563777686 /nfs/dbraw/zinc/77/76/86/563777686.db2.gz PLYKZVQVVJPILN-MRVPVSSYSA-N 1 0 376.226 2.624 20 0 GFADRO COC(=O)c1cc(Br)c(F)cc1NC(=O)N[C@@H]1CCC[C@H]1C[NH3+] ZINC000415472656 563777713 /nfs/dbraw/zinc/77/77/13/563777713.db2.gz YELPSNBKNGEIPL-QPUJVOFHSA-N 1 0 388.237 2.624 20 0 GFADRO CS(=O)(=O)C[C@H]1CCN(Cc2cc(Br)cc3cccnc32)C1 ZINC000292210803 563778609 /nfs/dbraw/zinc/77/86/09/563778609.db2.gz MIRZKLDCZPGRHT-LBPRGKRZSA-N 1 0 383.311 2.864 20 0 GFADRO CCCN(C(=O)C(=O)Nc1ccc(C)c(Br)c1)C1CC[NH2+]CC1 ZINC000415499081 563779477 /nfs/dbraw/zinc/77/94/77/563779477.db2.gz KQCWGPZECNQULZ-UHFFFAOYSA-N 1 0 382.302 2.687 20 0 GFADRO Cc1ccc(I)cc1NC(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000415502714 563779515 /nfs/dbraw/zinc/77/95/15/563779515.db2.gz CDZSHUSTKJQVFH-WCQYABFASA-N 1 0 385.249 2.815 20 0 GFADRO CCCN(C(=O)C(=O)Nc1ccc(Br)c(F)c1)C1CC[NH2+]CC1 ZINC000415499962 563779598 /nfs/dbraw/zinc/77/95/98/563779598.db2.gz LVNGMRGXCBSQLH-UHFFFAOYSA-N 1 0 386.265 2.517 20 0 GFADRO CCCC[C@H](C[NH3+])NC(=O)C(=O)Nc1ccc(Br)cc1Cl ZINC000415502378 563779652 /nfs/dbraw/zinc/77/96/52/563779652.db2.gz QIRBSGLPDXZXRB-SNVBAGLBSA-N 1 0 376.682 2.675 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)Nc3nnc(-c4cccc(Cl)c4)s3)C[C@H]21 ZINC000415500410 563779785 /nfs/dbraw/zinc/77/97/85/563779785.db2.gz MUMBRPCBVAHCIO-MRVWCRGKSA-N 1 0 377.901 3.450 20 0 GFADRO Cc1ccc(I)cc1NC(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000415502716 563779801 /nfs/dbraw/zinc/77/98/01/563779801.db2.gz CDZSHUSTKJQVFH-YPMHNXCESA-N 1 0 385.249 2.815 20 0 GFADRO COc1c(Cl)cc(NC(=O)C(=O)N(C)CC[C@H]([NH3+])C(C)C)cc1Cl ZINC000415504860 563780375 /nfs/dbraw/zinc/78/03/75/563780375.db2.gz PRJISXYKJCHHLT-ZDUSSCGKSA-N 1 0 376.284 2.772 20 0 GFADRO Cc1ccc(I)cc1NC(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000415507794 563780433 /nfs/dbraw/zinc/78/04/33/563780433.db2.gz OHGVNVMJTNWRBQ-NEPJUHHUSA-N 1 0 385.249 2.673 20 0 GFADRO COc1ccc(Br)cc1C[N@H+](C)C[C@H](O)COCC(F)(F)F ZINC000292300920 563782037 /nfs/dbraw/zinc/78/20/37/563782037.db2.gz ALBQAXYIFFLVMT-LBPRGKRZSA-N 1 0 386.208 2.829 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)Nc2ccnn2Cc2ccc(Br)cc2)C1 ZINC000415534047 563783165 /nfs/dbraw/zinc/78/31/65/563783165.db2.gz UPFQBWYTQRPOKI-OCCSQVGLSA-N 1 0 392.301 2.895 20 0 GFADRO Cc1cccc(NC(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)c1Br ZINC000415529711 563783398 /nfs/dbraw/zinc/78/33/98/563783398.db2.gz XKAVLHFZJUSJDE-AWEZNQCLSA-N 1 0 394.313 2.687 20 0 GFADRO COCC1(CNC(=O)Nc2c(F)cc(F)cc2Br)CC[NH2+]CC1 ZINC000415548674 563783743 /nfs/dbraw/zinc/78/37/43/563783743.db2.gz FOSHGJJNTXHJHI-UHFFFAOYSA-N 1 0 392.244 2.865 20 0 GFADRO C[C@H]1CN(CC(=O)Nc2ccc(Br)cn2)CC[N@@H+](C2CCC2)C1 ZINC000292371972 563784337 /nfs/dbraw/zinc/78/43/37/563784337.db2.gz RAFZJNSSZKIDNZ-ZDUSSCGKSA-N 1 0 381.318 2.589 20 0 GFADRO [NH3+]C1(CNC(=O)C(=O)Nc2ccc(Br)c3ccccc23)CCC1 ZINC000415557956 563784495 /nfs/dbraw/zinc/78/44/95/563784495.db2.gz IMCNPILQIGRMRJ-UHFFFAOYSA-N 1 0 376.254 2.538 20 0 GFADRO C[C@]1(CNC(=O)C(=O)Nc2cc(Cl)ccc2Br)CCC[NH2+]C1 ZINC000415578704 563785298 /nfs/dbraw/zinc/78/52/98/563785298.db2.gz IXGYYZOHDADIRX-HNNXBMFYSA-N 1 0 388.693 2.547 20 0 GFADRO CC(C)c1cc(Br)ccc1NC(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000415589290 563785743 /nfs/dbraw/zinc/78/57/43/563785743.db2.gz FMZYWHILCXOWIG-SFHVURJKSA-N 1 0 394.313 2.723 20 0 GFADRO COC(=O)c1c(Br)ccc(NC(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)c1C ZINC000415593895 563786307 /nfs/dbraw/zinc/78/63/07/563786307.db2.gz FPSYEAIELQZNJV-TVQRCGJNSA-N 1 0 384.274 2.664 20 0 GFADRO CSC[C@H]1CCC[N@H+](CCCS(=O)(=O)c2ccc(NC(C)=O)cc2)C1 ZINC000292446579 563787126 /nfs/dbraw/zinc/78/71/26/563787126.db2.gz PAMNCWDFIVCXCZ-INIZCTEOSA-N 1 0 384.567 2.884 20 0 GFADRO C[NH+](C)CC(C)(C)CN(C(=O)[C@H]1CCCO1)c1ccc(Br)cn1 ZINC000415607921 563787359 /nfs/dbraw/zinc/78/73/59/563787359.db2.gz KTZOGNOXRNOIRQ-CQSZACIVSA-N 1 0 384.318 2.944 20 0 GFADRO Cc1nc2cc(Cl)c(NC(=O)C(=O)N3C[C@H]4CCC[C@@H](C3)[NH2+]4)cc2s1 ZINC000415630841 563788651 /nfs/dbraw/zinc/78/86/51/563788651.db2.gz LNIPOJWSLPPQOK-PHIMTYICSA-N 1 0 378.885 2.550 20 0 GFADRO COC(=O)c1cc(F)c(Br)cc1NC(=O)N1C[C@H](C[NH3+])C[C@@H]1C ZINC000415632056 563789274 /nfs/dbraw/zinc/78/92/74/563789274.db2.gz QCGYCGWPFHVKQF-IUCAKERBSA-N 1 0 388.237 2.576 20 0 GFADRO C[C@@H]1CCCN(C(=O)Nc2ccnn2-c2ccc(Br)cn2)[C@H]1C[NH3+] ZINC000415639751 563790096 /nfs/dbraw/zinc/79/00/96/563790096.db2.gz QGSIDBICLSCUNA-YPMHNXCESA-N 1 0 393.289 2.621 20 0 GFADRO Cc1nc2cc(Cl)c(NC(=O)C(=O)N3CCC[C@H](CC[NH3+])C3)cc2s1 ZINC000415675251 563790851 /nfs/dbraw/zinc/79/08/51/563790851.db2.gz JFTCDIASSNSVLA-LLVKDONJSA-N 1 0 380.901 2.784 20 0 GFADRO [NH3+]CC[C@H]1CCCN(C(=O)C(=O)Nc2ccc(C(F)(F)F)cc2Cl)C1 ZINC000415681663 563791177 /nfs/dbraw/zinc/79/11/77/563791177.db2.gz UKALFHXHRMUJRU-SNVBAGLBSA-N 1 0 377.794 2.885 20 0 GFADRO C[C@H]1C[C@@H](NC(=O)C(=O)Nc2ccc(Br)c3ccccc23)CC[NH2+]1 ZINC000415685669 563791232 /nfs/dbraw/zinc/79/12/32/563791232.db2.gz URCUEMQEOKKQFD-RYUDHWBXSA-N 1 0 390.281 2.798 20 0 GFADRO Cc1ccc(-c2csc(NC(=O)C(=O)N3CCC[C@@H](CC[NH3+])C3)n2)s1 ZINC000415678297 563791333 /nfs/dbraw/zinc/79/13/33/563791333.db2.gz OGTLQAFTFIVWCH-LBPRGKRZSA-N 1 0 378.523 2.706 20 0 GFADRO Cc1cc(I)cc(NC(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000415704248 563792135 /nfs/dbraw/zinc/79/21/35/563792135.db2.gz GNBNYYWKVABBEW-OLZOCXBDSA-N 1 0 385.249 2.958 20 0 GFADRO O[C@H](COC1CCOCC1)C[N@@H+]1CC[C@H](Cc2ccc(Br)cc2)C1 ZINC000292695820 563793461 /nfs/dbraw/zinc/79/34/61/563793461.db2.gz NIUFKMUOBXCCNT-AEFFLSMTSA-N 1 0 398.341 2.870 20 0 GFADRO O=C(Nc1cc(Cl)c(Cl)cc1F)C(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000415734209 563793607 /nfs/dbraw/zinc/79/36/07/563793607.db2.gz JQXOEYSGEBRIRY-NSHDSACASA-N 1 0 388.270 2.919 20 0 GFADRO C[C@@H]1CN(C(=O)Nc2cc(Cl)ccc2I)C[C@H]1[NH3+] ZINC000415754761 563794223 /nfs/dbraw/zinc/79/42/23/563794223.db2.gz IOSVCYIQXPDODJ-GMSGAONNSA-N 1 0 379.629 2.756 20 0 GFADRO CC(C)(CCC[NH3+])NC(=O)Nc1ccn(-c2ccc(Br)cc2)n1 ZINC000415756562 563794646 /nfs/dbraw/zinc/79/46/46/563794646.db2.gz LOJRMAVTNHSMIY-UHFFFAOYSA-N 1 0 380.290 3.274 20 0 GFADRO C[NH2+]C[C@@H](C)CNC(=O)Nc1cc(Cl)ccc1I ZINC000415756092 563794740 /nfs/dbraw/zinc/79/47/40/563794740.db2.gz KWQHMUSFMXHVFN-MRVPVSSYSA-N 1 0 381.645 2.922 20 0 GFADRO CC(C)(CCC[NH3+])NC(=O)C(=O)Nc1cc(Cl)ccc1OC(F)(F)F ZINC000415759744 563795020 /nfs/dbraw/zinc/79/50/20/563795020.db2.gz LSJRPXPEMFTYAN-UHFFFAOYSA-N 1 0 381.782 2.811 20 0 GFADRO [NH3+]CC[C@H]1CCCN(C(=O)Nc2ccn(-c3ccc(Br)cc3)n2)C1 ZINC000415760749 563795037 /nfs/dbraw/zinc/79/50/37/563795037.db2.gz SVLIIUXZWQNVMI-CYBMUJFWSA-N 1 0 392.301 3.228 20 0 GFADRO CC[C@H]([NH3+])CNC(=O)C(=O)Nc1cc(Cl)ccc1SCC(F)(F)F ZINC000415788723 563796293 /nfs/dbraw/zinc/79/62/93/563796293.db2.gz OVXFZAHHALYLKO-VIFPVBQESA-N 1 0 383.823 2.786 20 0 GFADRO C[C@H](CCCC[NH3+])NC(=O)C(=O)Nc1cccc2cncc(Br)c21 ZINC000415797458 563796985 /nfs/dbraw/zinc/79/69/85/563796985.db2.gz WBTKUWRGANNWOY-LLVKDONJSA-N 1 0 393.285 2.570 20 0 GFADRO CCOc1c(Cl)cc(NC(=O)C(=O)NCCC[C@@H]2CCC[NH2+]2)cc1Cl ZINC000415804046 563797002 /nfs/dbraw/zinc/79/70/02/563797002.db2.gz KYRMSJGMLFMEIJ-NSHDSACASA-N 1 0 388.295 2.979 20 0 GFADRO C[C@H]([NH3+])[C@H](C)NC(=O)C(=O)Nc1ccc(Br)c(Cl)c1Cl ZINC000415801912 563797052 /nfs/dbraw/zinc/79/70/52/563797052.db2.gz GWKYSNIGEMTGAU-WDSKDSINSA-N 1 0 383.073 2.546 20 0 GFADRO CSc1ccc(Cl)cc1NC(=O)C(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000415820957 563798426 /nfs/dbraw/zinc/79/84/26/563798426.db2.gz MIHLARXWAADAST-CHWSQXEVSA-N 1 0 381.929 2.849 20 0 GFADRO Cc1nc(NC(=O)C(=O)NC2CC[NH+](Cc3cccs3)CC2)sc1C ZINC000366106698 563798884 /nfs/dbraw/zinc/79/88/84/563798884.db2.gz YQXXWRCCGDYZNO-UHFFFAOYSA-N 1 0 378.523 2.541 20 0 GFADRO CC(C)c1cc(Br)ccc1NC(=O)C(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000415837774 563799111 /nfs/dbraw/zinc/79/91/11/563799111.db2.gz CQYDVKLASZEMEX-STQMWFEESA-N 1 0 396.329 2.954 20 0 GFADRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)C(=O)Nc2cccc(Cl)c2SCC(F)F)C1 ZINC000415841971 563799114 /nfs/dbraw/zinc/79/91/14/563799114.db2.gz RDKZKLQIZCZZLX-NXEZZACHSA-N 1 0 391.871 2.879 20 0 GFADRO Cc1cccc(NC(=O)C(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1Br ZINC000415853485 563799452 /nfs/dbraw/zinc/79/94/52/563799452.db2.gz LOWMSIIJGMUWNO-KBPBESRZSA-N 1 0 394.313 2.544 20 0 GFADRO Cc1ccc(-c2csc(NC(=O)C(=O)NCCC3=CC[NH2+]CC3)n2)s1 ZINC000415871269 563799635 /nfs/dbraw/zinc/79/96/35/563799635.db2.gz GZOSJQUGISBTOG-UHFFFAOYSA-N 1 0 376.507 2.545 20 0 GFADRO O=C(Nc1ccc(Br)c2ccccc12)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000415860493 563799737 /nfs/dbraw/zinc/79/97/37/563799737.db2.gz CHYCJFOUSJZTKB-GFCCVEGCSA-N 1 0 390.281 2.799 20 0 GFADRO Cc1ccc(Cl)c(S(=O)(=O)NCCCC[N@@H+]2CCC[C@@H]2CO)c1Cl ZINC000443304838 563800007 /nfs/dbraw/zinc/80/00/07/563800007.db2.gz JXJZDAKCSHFKSE-CYBMUJFWSA-N 1 0 395.352 2.817 20 0 GFADRO CCS(=O)(=O)c1ccc(CNC(=O)Nc2ccc3c(c2)C[NH2+]CC3)s1 ZINC000415890338 563800284 /nfs/dbraw/zinc/80/02/84/563800284.db2.gz DHUVEZJNFHVLTO-UHFFFAOYSA-N 1 0 379.507 2.509 20 0 GFADRO CC(C)Sc1c(Cl)cccc1NC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000415891201 563800506 /nfs/dbraw/zinc/80/05/06/563800506.db2.gz JOXWIONLSSMBPW-STQMWFEESA-N 1 0 381.929 2.847 20 0 GFADRO C[NH+]1CCC(CC(=O)N[C@@H]2CCN(c3cccc(Br)c3)C2)CC1 ZINC000293081839 563800597 /nfs/dbraw/zinc/80/05/97/563800597.db2.gz YGIGONZNYVGRFH-MRXNPFEDSA-N 1 0 380.330 2.876 20 0 GFADRO COc1ccc(CNC(=O)N[C@@H](CC[NH3+])C(F)(F)F)cc1Br ZINC000416004861 563802056 /nfs/dbraw/zinc/80/20/56/563802056.db2.gz IZMSKTJAQIMSRI-NSHDSACASA-N 1 0 384.196 2.537 20 0 GFADRO Cc1cc(=O)n2nc(CN3CC[C@H](Oc4ccc(Cl)cc4)C3)sc2n1 ZINC000293177480 563803467 /nfs/dbraw/zinc/80/34/67/563803467.db2.gz VUIMPEFCHFOSDE-AWEZNQCLSA-N 1 0 376.869 2.766 20 0 GFADRO Clc1cccc(N2CCOCC2)c1C[NH2+]CCc1cn2c(n1)SCC2 ZINC000293238143 563804653 /nfs/dbraw/zinc/80/46/53/563804653.db2.gz LCZFOIWSCDNYCQ-UHFFFAOYSA-N 1 0 378.929 2.811 20 0 GFADRO COCCC[N@@H+]1CCCN(C(=O)N[C@@H](C)c2ccc(Br)cn2)CC1 ZINC000366383464 563806873 /nfs/dbraw/zinc/80/68/73/563806873.db2.gz UAGOJYJQCOGCEI-AWEZNQCLSA-N 1 0 399.333 2.659 20 0 GFADRO CC[NH+]1CCN([C@H](C)CNc2ccnc3c(Br)ccc(F)c23)CC1 ZINC000443510676 563807383 /nfs/dbraw/zinc/80/73/83/563807383.db2.gz QQKLRSUJZDOJEF-CYBMUJFWSA-N 1 0 395.320 2.996 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2C(=O)COc1cccc(Br)c1 ZINC000366438093 563808165 /nfs/dbraw/zinc/80/81/65/563808165.db2.gz NIOMMBMBJCWJFI-DJIMGWMZSA-N 1 0 397.313 2.538 20 0 GFADRO O=C(c1cnnn1-c1c(Cl)cccc1Cl)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000366445929 563808426 /nfs/dbraw/zinc/80/84/26/563808426.db2.gz JBBATSKPNHQYJF-GFCCVEGCSA-N 1 0 380.279 2.884 20 0 GFADRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)NCc1cn2cc(Br)ccc2n1 ZINC000443622310 563808589 /nfs/dbraw/zinc/80/85/89/563808589.db2.gz BITYOLPRWIZOOE-IUODEOHRSA-N 1 0 394.317 2.578 20 0 GFADRO COC(=O)c1c(Cl)cccc1S(=O)(=O)NC[C@@H](C)[N@@H+]1CCCC[C@H]1C ZINC000416373284 563819017 /nfs/dbraw/zinc/81/90/17/563819017.db2.gz ONZVKEJSVCTEBX-CHWSQXEVSA-N 1 0 388.917 2.668 20 0 GFADRO O=C(NCC[C@H]1CCC[NH2+]1)[C@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl ZINC000444265250 563826597 /nfs/dbraw/zinc/82/65/97/563826597.db2.gz FQCDXGQNKDSKTB-CZUORRHYSA-N 1 0 384.307 2.856 20 0 GFADRO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)N1CCC=C(Br)C1 ZINC000367011531 563827427 /nfs/dbraw/zinc/82/74/27/563827427.db2.gz SHPYFZCSVCFOQJ-WMLDXEAASA-N 1 0 393.329 2.986 20 0 GFADRO CC[NH+](CC)[C@@H](CNS(=O)(=O)c1c(C(F)F)c(C)nn1C)CC(C)C ZINC000416428307 563828059 /nfs/dbraw/zinc/82/80/59/563828059.db2.gz TZFIYDHJFKPVCJ-CYBMUJFWSA-N 1 0 380.505 2.701 20 0 GFADRO NS(=O)(=O)C1CC[NH+](CCCCOc2ccccc2C(F)(F)F)CC1 ZINC000367128888 563831569 /nfs/dbraw/zinc/83/15/69/563831569.db2.gz IOXBUFNJOTUBIO-UHFFFAOYSA-N 1 0 380.432 2.617 20 0 GFADRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)c3cn4ccc(Br)cc4n3)C2)C1 ZINC000294209716 563834304 /nfs/dbraw/zinc/83/43/04/563834304.db2.gz QNRGSSVIVVCAOP-QGZVFWFLSA-N 1 0 377.286 2.655 20 0 GFADRO OC[C@H]1CCC[N@@H+]1C[C@H]1CCCN1CCOc1ccccc1Br ZINC000367225885 563836836 /nfs/dbraw/zinc/83/68/36/563836836.db2.gz GTDCJLYRNRXITN-HZPDHXFCSA-N 1 0 383.330 2.749 20 0 GFADRO COC(=O)c1c(Cl)cccc1S(=O)(=O)NCCCCC[NH+]1CCCC1 ZINC000416489043 563837999 /nfs/dbraw/zinc/83/79/99/563837999.db2.gz OOVKNYIVINUXFG-UHFFFAOYSA-N 1 0 388.917 2.671 20 0 GFADRO COC(=O)c1cc(Cl)c(C)c(S(=O)(=O)NCCCC[N@H+](C)C2CC2)c1 ZINC000416508113 563840976 /nfs/dbraw/zinc/84/09/76/563840976.db2.gz QQJPVSHQLNKZLL-UHFFFAOYSA-N 1 0 388.917 2.588 20 0 GFADRO O=C(Nc1cnc2c(c1)C[NH2+]CC2)c1ccccc1I ZINC000367370998 563842060 /nfs/dbraw/zinc/84/20/60/563842060.db2.gz IEDXUUHFQALKSA-UHFFFAOYSA-N 1 0 379.201 2.584 20 0 GFADRO C[C@](CO)([NH2+]Cc1ccc2c(c1)NC(=O)CO2)c1ccc(Br)cc1 ZINC000294534697 563845579 /nfs/dbraw/zinc/84/55/79/563845579.db2.gz DHQBMGDFHXXQBN-GOSISDBHSA-N 1 0 391.265 2.777 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)c1cc[nH]c(=O)c1Br)c1cccc(F)c1 ZINC000445250638 563846614 /nfs/dbraw/zinc/84/66/14/563846614.db2.gz OWNZUPJJDCNPFZ-CYBMUJFWSA-N 1 0 382.233 2.722 20 0 GFADRO C[N@@H+]1CCC[C@@H](CC[N-]S(=O)(=O)c2cc(F)c(Br)cc2F)C1 ZINC000416549246 563847152 /nfs/dbraw/zinc/84/71/52/563847152.db2.gz CSXSPGKBZAOZSY-JTQLQIEISA-N 1 0 397.285 2.738 20 0 GFADRO COc1cc(Br)c(C(=O)NC2CC[NH+](C3CC3)CC2)cc1OC ZINC000294578295 563847169 /nfs/dbraw/zinc/84/71/69/563847169.db2.gz VYJCVJMYRYUHTL-UHFFFAOYSA-N 1 0 383.286 2.823 20 0 GFADRO O=C1CCc2cc(Cl)c(S(=O)(=O)N3CCC([C@@H]4CCC[NH2+]4)CC3)cc21 ZINC000367604679 563849832 /nfs/dbraw/zinc/84/98/32/563849832.db2.gz BYDMVIRUILCFGJ-INIZCTEOSA-N 1 0 382.913 2.622 20 0 GFADRO FC(F)(F)[C@@H](C[NH2+]C1CCN(Cc2cccs2)CC1)N1CCOCC1 ZINC000367712393 563853023 /nfs/dbraw/zinc/85/30/23/563853023.db2.gz JMYYODDEFMCZGQ-MRXNPFEDSA-N 1 0 377.476 2.565 20 0 GFADRO CC[NH+]1CCC(N(C)C(=O)[C@H]2CC(=O)Nc3ccc(Br)cc32)CC1 ZINC000446092074 563858679 /nfs/dbraw/zinc/85/86/79/563858679.db2.gz SFZPKJAGOPODHA-HNNXBMFYSA-N 1 0 394.313 2.818 20 0 GFADRO CN(C(C)(C)C[NH+]1CCCC1)S(=O)(=O)c1cc2c(cc1Cl)OCCO2 ZINC000416664988 563859367 /nfs/dbraw/zinc/85/93/67/563859367.db2.gz UQZRYCANLANVPJ-UHFFFAOYSA-N 1 0 388.917 2.606 20 0 GFADRO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000416726803 563860492 /nfs/dbraw/zinc/86/04/92/563860492.db2.gz FZSNMASNJMGSPP-GHMZBOCLSA-N 1 0 377.819 2.860 20 0 GFADRO C[C@@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)[N@@H+]1CC[C@@H](CC(N)=O)C1 ZINC000367981386 563860731 /nfs/dbraw/zinc/86/07/31/563860731.db2.gz AAKIPNFKKGZSHK-UWVGGRQHSA-N 1 0 377.794 2.883 20 0 GFADRO C[C@@H](Cc1ccc(F)cc1Br)[NH2+][C@H]1CCN(C2CCOCC2)C1=O ZINC000367962202 563861048 /nfs/dbraw/zinc/86/10/48/563861048.db2.gz LBEWDJGUZLANRF-SJCJKPOMSA-N 1 0 399.304 2.889 20 0 GFADRO CCCC[C@H](C[NH3+])NC(=O)NCC(=O)Nc1ccc(Br)cc1C ZINC000416821757 563861879 /nfs/dbraw/zinc/86/18/79/563861879.db2.gz FBJXGEQMAISFST-CYBMUJFWSA-N 1 0 385.306 2.513 20 0 GFADRO O=C(Cc1ccccc1I)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000368024173 563861960 /nfs/dbraw/zinc/86/19/60/563861960.db2.gz VLWJHMGWSOMKIY-HOCLYGCPSA-N 1 0 398.288 2.824 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)N1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000416824476 563862020 /nfs/dbraw/zinc/86/20/20/563862020.db2.gz IKJYTEJJXVIHQW-IUODEOHRSA-N 1 0 397.317 2.607 20 0 GFADRO CC[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)[C@H]2C[C@H](F)C[NH2+]2)CC1 ZINC000446378940 563863240 /nfs/dbraw/zinc/86/32/40/563863240.db2.gz XWZVYJKMRJDEFS-BBWFWOEESA-N 1 0 398.320 2.744 20 0 GFADRO CC[N@H+](CCNC(=O)Nc1c[nH]nc1-c1nccs1)CCC(F)(F)F ZINC000446392226 563863364 /nfs/dbraw/zinc/86/33/64/563863364.db2.gz WOKNZZCSLNQZBZ-UHFFFAOYSA-N 1 0 376.408 2.929 20 0 GFADRO O=C(N[C@@H]1CC12CC[NH2+]CC2)c1cc(=O)[nH]c2c(Br)cccc12 ZINC000368161724 563864950 /nfs/dbraw/zinc/86/49/50/563864950.db2.gz XKLLQTKBAGDTPN-CYBMUJFWSA-N 1 0 376.254 2.575 20 0 GFADRO O=C(N[C@H]1CC12CC[NH2+]CC2)c1ccn(-c2cccc(Br)c2)n1 ZINC000368218189 563866657 /nfs/dbraw/zinc/86/66/57/563866657.db2.gz WBVFEJKNRFHUTO-HNNXBMFYSA-N 1 0 375.270 2.507 20 0 GFADRO CC[C@@H](Cc1ccccc1Br)NC(=O)NCC[N@@H+]1CCCOCC1 ZINC000446682216 563867630 /nfs/dbraw/zinc/86/76/30/563867630.db2.gz NAFVCHXJMZYHSQ-INIZCTEOSA-N 1 0 398.345 2.792 20 0 GFADRO CC(C)(CNC(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1)c1ccc(Br)cc1 ZINC000417124469 563868582 /nfs/dbraw/zinc/86/85/82/563868582.db2.gz MVUGIBVKECBLSN-KGLIPLIRSA-N 1 0 380.330 2.978 20 0 GFADRO C[C@@H](NC(=O)NCC1(c2cccc(Br)c2)CCOCC1)[C@H](C)[NH3+] ZINC000417173180 563869952 /nfs/dbraw/zinc/86/99/52/563869952.db2.gz HBIYNWGSBNITKA-QWHCGFSZSA-N 1 0 384.318 2.532 20 0 GFADRO O[C@@H](COCC(F)(F)F)C[NH+]1CCC(COc2ccc(Cl)nc2)CC1 ZINC000368392994 563870052 /nfs/dbraw/zinc/87/00/52/563870052.db2.gz MEUSUGZTANKCLV-CYBMUJFWSA-N 1 0 382.810 2.766 20 0 GFADRO C[C@H](NC(=O)N1CC[NH2+][C@@H](C)[C@H]1C)c1cc2c(cc1Br)OCCO2 ZINC000417189722 563871758 /nfs/dbraw/zinc/87/17/58/563871758.db2.gz YXMZMAZHUAFLBW-SDDRHHMPSA-N 1 0 398.301 2.673 20 0 GFADRO NC(=O)[C@@H](Cc1ccccc1)[NH2+]Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000447044777 563873064 /nfs/dbraw/zinc/87/30/64/563873064.db2.gz OVBJNMUFMHCIGW-GOSISDBHSA-N 1 0 399.292 2.821 20 0 GFADRO O=C(Cc1cc(F)ccc1Br)N1CCN[C@@H](c2cccnc2)C1 ZINC000368522693 563873083 /nfs/dbraw/zinc/87/30/83/563873083.db2.gz QSINMPUEHANQCN-MRXNPFEDSA-N 1 0 378.245 2.699 20 0 GFADRO CO[C@@H]1CCN(C(=O)N[C@@H](C)CCc2ccc(Br)cc2)[C@H](C[NH3+])C1 ZINC000417237055 563874546 /nfs/dbraw/zinc/87/45/46/563874546.db2.gz VRCKNRQLYCHRKB-RRQGHBQHSA-N 1 0 398.345 2.918 20 0 GFADRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)NCc1cn2cc(Br)ccc2n1 ZINC000417228441 563874738 /nfs/dbraw/zinc/87/47/38/563874738.db2.gz WFEPFLINNCMESY-AWEZNQCLSA-N 1 0 382.306 2.612 20 0 GFADRO C[C@@H](CCc1ccc(Br)cc1)NC(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000417234137 563874884 /nfs/dbraw/zinc/87/48/84/563874884.db2.gz PGZNMJXZSVRLMW-XJKSGUPXSA-N 1 0 384.318 2.529 20 0 GFADRO CN(CC(C)(C)C[NH3+])C(=O)NC[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000417263138 563875694 /nfs/dbraw/zinc/87/56/94/563875694.db2.gz PDWNBPNHBYJBMS-CQSZACIVSA-N 1 0 397.361 2.902 20 0 GFADRO CC[N@@H+](Cc1cc(Br)ccc1F)C[C@@H](O)CO[C@H](C)COC ZINC000447158843 563875713 /nfs/dbraw/zinc/87/57/13/563875713.db2.gz RIYIONYWBMGTGF-IUODEOHRSA-N 1 0 378.282 2.823 20 0 GFADRO O=C(NCCC[C@@H]1CCC[NH2+]1)NCc1cc(Br)c2c(c1)OCCO2 ZINC000417303603 563877658 /nfs/dbraw/zinc/87/76/58/563877658.db2.gz SQWLOLRUWQRGER-ZDUSSCGKSA-N 1 0 398.301 2.552 20 0 GFADRO [NH3+]C[C@H]1CCCC[C@H]1NC(=O)NCc1cc(Br)c2c(c1)OCCO2 ZINC000417295759 563877841 /nfs/dbraw/zinc/87/78/41/563877841.db2.gz FOWFRSOGRXYVPI-TZMCWYRMSA-N 1 0 398.301 2.537 20 0 GFADRO CO[C@@H]1CCN(C(=O)NCc2ccc(Br)cc2Cl)[C@H](C[NH3+])C1 ZINC000417338470 563878045 /nfs/dbraw/zinc/87/80/45/563878045.db2.gz KHGAZBRQCGCXRU-QWHCGFSZSA-N 1 0 390.709 2.750 20 0 GFADRO [NH3+][C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(=O)[nH]c2c(Br)cccc12 ZINC000368815425 563879263 /nfs/dbraw/zinc/87/92/63/563879263.db2.gz CMFJMKFMPAEXHY-JGPRNRPPSA-N 1 0 376.254 2.797 20 0 GFADRO C[C@@H]1CN(C(=O)NCc2cc(Br)ccc2OC(F)F)CC[C@@H]1[NH3+] ZINC000417415159 563879810 /nfs/dbraw/zinc/87/98/10/563879810.db2.gz XGJRMEFFCCFVLO-SKDRFNHKSA-N 1 0 392.244 2.929 20 0 GFADRO O=C(NCCC[C@@H]1CCC[NH2+]1)N[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000417480011 563880996 /nfs/dbraw/zinc/88/09/96/563880996.db2.gz LHCFLTXXIYTOPR-JKSUJKDBSA-N 1 0 395.345 2.859 20 0 GFADRO O=C(CCSc1nc2ccccc2s1)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000368883495 563880929 /nfs/dbraw/zinc/88/09/29/563880929.db2.gz BLFBYIFTUJFUAA-ZIAGYGMSSA-N 1 0 377.535 2.758 20 0 GFADRO CN(CC(C)(C)C[NH3+])C(=O)N[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000417481433 563881032 /nfs/dbraw/zinc/88/10/32/563881032.db2.gz NYJINIXNHOMPLU-CQSZACIVSA-N 1 0 383.334 2.654 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)NCCC[NH2+]C1CC1 ZINC000417480083 563881147 /nfs/dbraw/zinc/88/11/47/563881147.db2.gz FWPCANFMFQSUKJ-UHFFFAOYSA-N 1 0 397.317 2.527 20 0 GFADRO Cc1csc(NC(=O)C[NH2+][C@H]2CCN(Cc3cnc(C)s3)C[C@@H]2C)n1 ZINC000368963288 563883129 /nfs/dbraw/zinc/88/31/29/563883129.db2.gz AKPRAAGGGVNKDR-NHYWBVRUSA-N 1 0 379.555 2.655 20 0 GFADRO CN1CC[NH+](C[C@H]2CCCN(C(=O)CSc3ccc(Cl)cc3)C2)CC1 ZINC000368979572 563883303 /nfs/dbraw/zinc/88/33/03/563883303.db2.gz PPNOEQWBULTYSS-MRXNPFEDSA-N 1 0 381.973 2.918 20 0 GFADRO O=S1(=O)CC[C@H]([NH2+]C2CCN(CC3CCC(C(F)(F)F)CC3)CC2)C1 ZINC000369004392 563884299 /nfs/dbraw/zinc/88/42/99/563884299.db2.gz XIKRQXUCNXLTTJ-XUJLQICISA-N 1 0 382.492 2.596 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H](NC(=O)N[C@H]2CCN(c3ccccc3Br)C2)C1 ZINC000417590426 563885080 /nfs/dbraw/zinc/88/50/80/563885080.db2.gz BPVKSDFFDJKUCJ-MCIONIFRSA-N 1 0 381.318 2.597 20 0 GFADRO COC(=O)c1cc(Br)cc(NC(=O)N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)c1C ZINC000417590287 563885129 /nfs/dbraw/zinc/88/51/29/563885129.db2.gz QVZIZWALCPFJKQ-XHDPSFHLSA-N 1 0 396.285 2.712 20 0 GFADRO O=C(c1ccn(-c2cccc(Br)c2)n1)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000369062147 563885580 /nfs/dbraw/zinc/88/55/80/563885580.db2.gz GVTZEZOUOCTOOW-INIZCTEOSA-N 1 0 389.297 2.945 20 0 GFADRO CCCN(C(=O)N[C@@H]1CCN(c2ccccc2Br)C1)[C@@H]1CC[NH2+]C1 ZINC000417605922 563886102 /nfs/dbraw/zinc/88/61/02/563886102.db2.gz ZKIPABAWJLGAKU-HUUCEWRRSA-N 1 0 395.345 2.811 20 0 GFADRO CC1(C)C[N@H+](C[C@@H](O)COc2ccc(Cl)cc2Br)C[C@H]1O ZINC000447801102 563887057 /nfs/dbraw/zinc/88/70/57/563887057.db2.gz YYDPFLRQCHDBTL-BXUZGUMPSA-N 1 0 378.694 2.545 20 0 GFADRO [NH3+][C@H]1CCC[C@@H](NC(=O)NCCOc2ncc(C(F)(F)F)cc2Cl)C1 ZINC000417731046 563887944 /nfs/dbraw/zinc/88/79/44/563887944.db2.gz FEMONNUSVQFNTM-WDEREUQCSA-N 1 0 380.798 2.702 20 0 GFADRO CC(C)(CNS(=O)(=O)c1ccc(OC(F)F)c(F)c1)C[NH+]1CCCC1 ZINC000447870136 563888860 /nfs/dbraw/zinc/88/88/60/563888860.db2.gz XCPKIWAHVATQRH-UHFFFAOYSA-N 1 0 380.432 2.827 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)NC[C@@H](C)Oc2cccc(Br)c2)C1 ZINC000417785469 563889346 /nfs/dbraw/zinc/88/93/46/563889346.db2.gz CXOKCVBSHPTDLI-MCIONIFRSA-N 1 0 384.318 2.985 20 0 GFADRO C[C@H](CNC(=O)N[C@H](C)[C@H]1CCC[NH2+]C1)Oc1cccc(Br)c1 ZINC000417784172 563889413 /nfs/dbraw/zinc/88/94/13/563889413.db2.gz BSFDWZMJLDDQDW-MCIONIFRSA-N 1 0 384.318 2.904 20 0 GFADRO CCCN(C(=O)NC[C@H](C)Oc1ccccc1Br)[C@H]1CC[NH2+]C1 ZINC000417820312 563889772 /nfs/dbraw/zinc/88/97/72/563889772.db2.gz HGWRHAZZCYJTAU-KBPBESRZSA-N 1 0 384.318 3.000 20 0 GFADRO C[C@H](CNC(=O)NCCC1=CC[NH2+]CC1)Oc1ccccc1Br ZINC000417822682 563889840 /nfs/dbraw/zinc/88/98/40/563889840.db2.gz JVKJSIHOVPFQRZ-CYBMUJFWSA-N 1 0 382.302 2.825 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2ccc(OC(F)F)c(F)c2)[C@@H](C)C1 ZINC000447876288 563889846 /nfs/dbraw/zinc/88/98/46/563889846.db2.gz ZOBROUGGMRMGLR-SMDDNHRTSA-N 1 0 380.432 2.778 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2ccc(OC(F)F)c(F)c2)[C@H](C)C1 ZINC000447876285 563890034 /nfs/dbraw/zinc/89/00/34/563890034.db2.gz ZOBROUGGMRMGLR-BXUZGUMPSA-N 1 0 380.432 2.778 20 0 GFADRO COc1ccc(Br)c(C(=O)NCCC[NH2+][C@@H]2COC(C)(C)C2)c1 ZINC000417893637 563890817 /nfs/dbraw/zinc/89/08/17/563890817.db2.gz FAXRBNFFEHBVAW-LBPRGKRZSA-N 1 0 385.302 2.735 20 0 GFADRO O=C(CCC[NH2+]Cc1ccc(F)cc1I)NC1CC1 ZINC000417887315 563891078 /nfs/dbraw/zinc/89/10/78/563891078.db2.gz YVRXYIPLULOUQT-UHFFFAOYSA-N 1 0 376.213 2.579 20 0 GFADRO CCCOc1c(Br)cc(C[NH2+][C@H](CO)[C@H]2CCCO2)cc1OC ZINC000447989265 563892529 /nfs/dbraw/zinc/89/25/29/563892529.db2.gz OXVYKGFOVDPVBW-HUUCEWRRSA-N 1 0 388.302 2.876 20 0 GFADRO C[C@H](CCN1CCOCC1)[NH2+]Cc1ccc(F)cc1I ZINC000417976077 563893331 /nfs/dbraw/zinc/89/33/31/563893331.db2.gz WVIGVKMRAJMPFB-GFCCVEGCSA-N 1 0 392.256 2.631 20 0 GFADRO COc1cc(Br)ccc1CCCNC(=O)NC1CCC([NH3+])CC1 ZINC000417997414 563894237 /nfs/dbraw/zinc/89/42/37/563894237.db2.gz GBBVVWBBAHIGQT-UHFFFAOYSA-N 1 0 384.318 2.959 20 0 GFADRO C[NH2+]C[C@H]1CCN(C(=O)NCCc2c[nH]c3ccc(Br)cc23)C1 ZINC000417999189 563894363 /nfs/dbraw/zinc/89/43/63/563894363.db2.gz HWSPPFFPYHCBEZ-GFCCVEGCSA-N 1 0 379.302 2.724 20 0 GFADRO CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000418003506 563894523 /nfs/dbraw/zinc/89/45/23/563894523.db2.gz YKJQDPSCWUAYQM-OJDYBEQGSA-N 1 0 384.318 2.952 20 0 GFADRO [NH3+][C@H]1CCC[C@@H](CNC(=O)NCc2cc(Br)cc3c2OCC3)C1 ZINC000418010318 563894922 /nfs/dbraw/zinc/89/49/22/563894922.db2.gz JJPLZGZCLJJDGN-ABAIWWIYSA-N 1 0 382.302 2.701 20 0 GFADRO CCCOC[C@H](Cc1cccc(Br)c1)NC(=O)N[C@@H](C)[C@H](C)[NH3+] ZINC000418024173 563895925 /nfs/dbraw/zinc/89/59/25/563895925.db2.gz DBCFHBOATZBGDH-XEZPLFJOSA-N 1 0 386.334 2.822 20 0 GFADRO CCCOC[C@H](Cc1cccc(Br)c1)NC(=O)NC[C@@H]([NH3+])CC ZINC000418029275 563896121 /nfs/dbraw/zinc/89/61/21/563896121.db2.gz LGSCVFVHXHUIPO-HOTGVXAUSA-N 1 0 386.334 2.823 20 0 GFADRO CCCOC[C@@H](Cc1cccc(Br)c1)NC(=O)NC[C@H]([NH3+])C1CC1 ZINC000418035052 563896491 /nfs/dbraw/zinc/89/64/91/563896491.db2.gz UMPANGQRZVPVHI-SJORKVTESA-N 1 0 398.345 2.823 20 0 GFADRO C[C@@H]([NH3+])[C@H](C)NC(=O)NCc1cc(Br)ccc1Br ZINC000418032406 563896509 /nfs/dbraw/zinc/89/65/09/563896509.db2.gz BPEZJNHMCZXGLF-SFYZADRCSA-N 1 0 379.096 2.747 20 0 GFADRO CC(C)[C@H]([NH3+])CNC(=O)NCc1cc(Br)ccc1Br ZINC000418047263 563896793 /nfs/dbraw/zinc/89/67/93/563896793.db2.gz QGMGSHMASZELCR-GFCCVEGCSA-N 1 0 393.123 2.994 20 0 GFADRO CCn1c(CNC(=O)N[C@H](C[NH3+])CC(C)C)nc2cc(Br)ccc21 ZINC000418070082 563897227 /nfs/dbraw/zinc/89/72/27/563897227.db2.gz UASBDLLXQFAVSU-ZDUSSCGKSA-N 1 0 396.333 2.991 20 0 GFADRO [NH3+]C[C@H](NC(=O)N[C@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O)C1CC1 ZINC000418079519 563897713 /nfs/dbraw/zinc/89/77/13/563897713.db2.gz KXLJDDQHKQUFFA-KBPBESRZSA-N 1 0 385.295 2.525 20 0 GFADRO CC(C)C[C@@H](C[NH3+])NC(=O)N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000418077756 563897776 /nfs/dbraw/zinc/89/77/76/563897776.db2.gz ILQNOQDJZQBYJD-JSGCOSHPSA-N 1 0 387.311 2.771 20 0 GFADRO Cc1ccc(Br)cc1CC(=O)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000448606820 563898492 /nfs/dbraw/zinc/89/84/92/563898492.db2.gz LXVZCESWFUFAMG-UHFFFAOYSA-N 1 0 394.357 2.540 20 0 GFADRO O=C(NCC[NH+]1CCCC1)c1cnc2c(Cl)cc(Br)cc2c1O ZINC000448599941 563898704 /nfs/dbraw/zinc/89/87/04/563898704.db2.gz BAHIXMZFIYUUMT-UHFFFAOYSA-N 1 0 398.688 2.770 20 0 GFADRO O=C(N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000418124299 563899391 /nfs/dbraw/zinc/89/93/91/563899391.db2.gz ZCYGSVMZESBSBO-MJEQTWJJSA-N 1 0 382.277 2.839 20 0 GFADRO CC(C)[NH+]1CCN(C(=O)c2ccccc2-n2cc(Br)cn2)CC1 ZINC000448670851 563899512 /nfs/dbraw/zinc/89/95/12/563899512.db2.gz KGOZHTAUQDVVKM-UHFFFAOYSA-N 1 0 377.286 2.801 20 0 GFADRO Cc1cc(CNC(=O)N[C@@H]2CCC[C@H]([NH3+])C2)ccc1I ZINC000418138467 563900006 /nfs/dbraw/zinc/90/00/06/563900006.db2.gz GDIWXGHNDXUKNC-QWHCGFSZSA-N 1 0 387.265 2.669 20 0 GFADRO O=C(NCC1(c2ccc(Br)s2)CCC1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000418165114 563900321 /nfs/dbraw/zinc/90/03/21/563900321.db2.gz IXYLMRFVKFYHDY-NEPJUHHUSA-N 1 0 384.343 2.936 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1-n1cc(Br)cn1 ZINC000448725162 563900645 /nfs/dbraw/zinc/90/06/45/563900645.db2.gz NODNBVKEAYEDMB-HUUCEWRRSA-N 1 0 389.297 2.991 20 0 GFADRO C[C@H](CNC(=O)c1ccccc1-n1cc(Br)cn1)[N@H+](C)C1CC1 ZINC000448891709 563902776 /nfs/dbraw/zinc/90/27/76/563902776.db2.gz VOEVEMYEWFTCQZ-GFCCVEGCSA-N 1 0 377.286 2.847 20 0 GFADRO Cc1ccc(CC(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)c(Br)c1 ZINC000448970527 563904148 /nfs/dbraw/zinc/90/41/48/563904148.db2.gz QWYBGMSXHHGIML-INIZCTEOSA-N 1 0 395.341 2.871 20 0 GFADRO COc1nccc(C[NH2+]C[C@@H]2CCN(c3cccc(Br)c3)C2)n1 ZINC000449100066 563906758 /nfs/dbraw/zinc/90/67/58/563906758.db2.gz VTWKJQFPQDDHEP-ZDUSSCGKSA-N 1 0 377.286 2.864 20 0 GFADRO C[C@@H](Cc1coc2ccccc12)[NH2+]C[C@H](O)CS(=O)(=O)c1cccs1 ZINC000449189197 563907956 /nfs/dbraw/zinc/90/79/56/563907956.db2.gz LXGLZKSIJDAMFO-ZFWWWQNUSA-N 1 0 379.503 2.850 20 0 GFADRO NC(=O)C[C@@H]([NH2+]Cc1ccnc2c(Br)cccc12)C1CCOCC1 ZINC000449237951 563908175 /nfs/dbraw/zinc/90/81/75/563908175.db2.gz DOLZNAXXFYELLC-MRXNPFEDSA-N 1 0 392.297 2.758 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]C[C@H]1CCC[C@@H]1OC ZINC000449212539 563908272 /nfs/dbraw/zinc/90/82/72/563908272.db2.gz ZQVFIIIQOQVEOS-ZENOOKHLSA-N 1 0 399.329 2.867 20 0 GFADRO CS(=O)(=O)N[C@H]1CCCC[C@@H]1[NH2+]Cc1cnc(-c2ccccc2F)s1 ZINC000449253488 564178012 /nfs/dbraw/zinc/17/80/12/564178012.db2.gz VPTPCGAPRHJNOU-HOTGVXAUSA-N 1 0 383.514 2.899 20 0 GFADRO C[C@@H](O)C[N@@H+]1CCN(Cc2ccnc3c(Br)cccc23)[C@H](C)C1 ZINC000449296035 564179774 /nfs/dbraw/zinc/17/97/74/564179774.db2.gz WXCVWVXRTNBEQI-ZIAGYGMSSA-N 1 0 378.314 2.884 20 0 GFADRO CC(C)(C)[C@H](O)C[C@H](CO)[NH2+]Cc1ccc(I)cc1 ZINC000449316227 564180772 /nfs/dbraw/zinc/18/07/72/564180772.db2.gz XRTNBXIVLGVAHT-ZIAGYGMSSA-N 1 0 377.266 2.539 20 0 GFADRO Fc1cc(Br)cc(C[NH2+]C[C@H](N2CCOCC2)C(F)(F)F)c1 ZINC000449321453 564180841 /nfs/dbraw/zinc/18/08/41/564180841.db2.gz SPXGKHDMNIUODE-ZDUSSCGKSA-N 1 0 385.199 2.941 20 0 GFADRO CNC(=O)[C@H](CCSC)[NH2+]Cc1ccnc2c(Br)cccc12 ZINC000449329885 564181116 /nfs/dbraw/zinc/18/11/16/564181116.db2.gz QLHVAKZNSXPEPZ-AWEZNQCLSA-N 1 0 382.327 2.955 20 0 GFADRO C[C@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]CCn1cc(Br)ccc1=O ZINC000449372751 564181735 /nfs/dbraw/zinc/18/17/35/564181735.db2.gz ADCVRVYDKXYOET-YJBOKZPZSA-N 1 0 390.325 2.721 20 0 GFADRO O=c1ccc(Br)cn1CC[NH2+]Cc1cc(Cl)cc2c1OCC2 ZINC000449381886 564183376 /nfs/dbraw/zinc/18/33/76/564183376.db2.gz ZORXYPHIMVBGDO-UHFFFAOYSA-N 1 0 383.673 2.989 20 0 GFADRO OCCCN1CCC[C@H]1C[NH2+]Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000449388796 564183937 /nfs/dbraw/zinc/18/39/37/564183937.db2.gz QIIWPXZFYRMZIM-SFHVURJKSA-N 1 0 393.329 2.571 20 0 GFADRO OCC[N@@H+]1CCCC[C@H]1CNCc1cn(-c2ccc(Cl)c(Cl)c2)nn1 ZINC000449398607 564184415 /nfs/dbraw/zinc/18/44/15/564184415.db2.gz YHCVRJNAKJXZNG-HNNXBMFYSA-N 1 0 384.311 2.511 20 0 GFADRO CC[C@@H](CNS(C)(=O)=O)[NH2+]C1CC(c2ccc(Br)cc2)C1 ZINC000449441726 564186927 /nfs/dbraw/zinc/18/69/27/564186927.db2.gz HVDFRYQJFITIRT-BLZCZZARSA-N 1 0 375.332 2.613 20 0 GFADRO CC[C@H](CNS(C)(=O)=O)[NH2+]Cc1ccc(Br)cc1SC ZINC000449443897 564187037 /nfs/dbraw/zinc/18/70/37/564187037.db2.gz WQWHOPANATYWOX-GFCCVEGCSA-N 1 0 381.361 2.588 20 0 GFADRO CC(C)(O)C[NH+]1CCN(C(=O)NCc2nc3cc(Cl)ccc3s2)CC1 ZINC000471188903 564188032 /nfs/dbraw/zinc/18/80/32/564188032.db2.gz ZKLYPQDAGDMAPZ-UHFFFAOYSA-N 1 0 382.917 2.548 20 0 GFADRO COc1cc(NC(=O)NCC2=CC[N@H+](C)CC2)cc(OC)c1Br ZINC000538327993 564188043 /nfs/dbraw/zinc/18/80/43/564188043.db2.gz TVQMPGDAQKBNCR-UHFFFAOYSA-N 1 0 384.274 2.850 20 0 GFADRO C[C@H]1CC(C)(C)C[C@](CO)([NH2+]CC(=O)Nc2ccc(Br)cn2)C1 ZINC000471158720 564188046 /nfs/dbraw/zinc/18/80/46/564188046.db2.gz AHBUDIXGSCMLGX-YVEFUNNKSA-N 1 0 384.318 2.950 20 0 GFADRO OC[C@H]([C@H]([NH2+]Cc1cn(-c2ccccc2Br)nn1)C1CC1)C1CC1 ZINC000449503149 564188848 /nfs/dbraw/zinc/18/88/48/564188848.db2.gz HMSDAIKUSRFHGE-MAUKXSAKSA-N 1 0 391.313 2.917 20 0 GFADRO CCN1C[C@@H]([NH2+]Cc2cn(-c3ccc(Br)cc3)nc2C)CC1=O ZINC000449517416 564189607 /nfs/dbraw/zinc/18/96/07/564189607.db2.gz KEKWIFNVPGUTMM-HNNXBMFYSA-N 1 0 377.286 2.654 20 0 GFADRO O=C(Cc1cccc(I)c1)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000471239152 564190042 /nfs/dbraw/zinc/19/00/42/564190042.db2.gz ZWLYYPSOWNVQSO-CABCVRRESA-N 1 0 384.261 2.577 20 0 GFADRO COC1(C[NH2+]C[C@H](CO)Cc2ccc(C)c(Br)c2)CCOCC1 ZINC000449598059 564191206 /nfs/dbraw/zinc/19/12/06/564191206.db2.gz HDEFBDQOKVEICL-MRXNPFEDSA-N 1 0 386.330 2.694 20 0 GFADRO C[C@H]1CSc2ccc(Br)cc2[C@H]1[NH2+]CC(=O)N1CCOCC1 ZINC000538463358 564191662 /nfs/dbraw/zinc/19/16/62/564191662.db2.gz QBJZKVLPYXNQAI-ZBEGNZNMSA-N 1 0 385.327 2.680 20 0 GFADRO O=C(Nc1nc(Cc2ccccc2Br)cs1)N[C@H]1CC[NH2+]C1 ZINC000563448377 564191686 /nfs/dbraw/zinc/19/16/86/564191686.db2.gz MYKWNYCTPCBHJY-NSHDSACASA-N 1 0 381.299 2.980 20 0 GFADRO C[NH+]1CCN(c2ccc(NC(=O)c3cscc3Br)cn2)CC1 ZINC000505961136 564193333 /nfs/dbraw/zinc/19/33/33/564193333.db2.gz UPVDMPXDALYXBV-UHFFFAOYSA-N 1 0 381.299 2.910 20 0 GFADRO CC[C@H](O)[C@H](CC)[NH2+]Cc1cc(Br)ccc1O[C@H](C)C(=O)NC ZINC000449648183 564193418 /nfs/dbraw/zinc/19/34/18/564193418.db2.gz QHPJYJKAZJAELS-UGFHNGPFSA-N 1 0 387.318 2.602 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)Nc1ccnn1-c1ccc(Br)cn1 ZINC000563492120 564193549 /nfs/dbraw/zinc/19/35/49/564193549.db2.gz RQDFDLZJCHEALN-DGCLKSJQSA-N 1 0 393.289 2.763 20 0 GFADRO C[C@@H]1OCC[C@@H]1[N@H+](CCO)Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000449677313 564194424 /nfs/dbraw/zinc/19/44/24/564194424.db2.gz MHPSPTXZSKAXGY-GUYCJALGSA-N 1 0 380.286 2.607 20 0 GFADRO C[C@@H](NC(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2)c1ccc(Br)cn1 ZINC000563502053 564194705 /nfs/dbraw/zinc/19/47/05/564194705.db2.gz CMHMCIQXVIBKPG-ZWNOBZJWSA-N 1 0 390.285 2.938 20 0 GFADRO Cc1c(Br)cccc1C[C@H](CO)C[NH2+][C@H]1CN(C2CC2)C[C@H]1C ZINC000449681212 564195873 /nfs/dbraw/zinc/19/58/73/564195873.db2.gz IMNHLRIRKFBWOL-WTANOLMUSA-N 1 0 381.358 2.981 20 0 GFADRO CC(=O)N1CCC([NH2+]C[C@H](CO)Cc2cccc(Br)c2C)CC1 ZINC000449678485 564195895 /nfs/dbraw/zinc/19/58/95/564195895.db2.gz AXXPIOLHDCSFMS-OAHLLOKOSA-N 1 0 383.330 2.509 20 0 GFADRO C[C@@H](NC(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ncc(Br)cn1 ZINC000563547141 564196450 /nfs/dbraw/zinc/19/64/50/564196450.db2.gz GTQBLWYFLVEWCE-HIFRSBDPSA-N 1 0 389.297 2.938 20 0 GFADRO CC1(C)C[NH2+]CC[C@@H]1NC(=O)[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000449700217 564196973 /nfs/dbraw/zinc/19/69/73/564196973.db2.gz SKWXMOSNTAFFPX-DOMZBBRYSA-N 1 0 384.307 2.851 20 0 GFADRO O=C(NCCNc1ncc(Cl)cc1Cl)N1CCC2(CC[NH2+]CC2)CC1 ZINC000563558859 564197072 /nfs/dbraw/zinc/19/70/72/564197072.db2.gz UZIGKNUQYBBBGK-UHFFFAOYSA-N 1 0 386.327 2.976 20 0 GFADRO Cc1cc(C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)nn1-c1ccc(Br)cc1 ZINC000449717123 564197745 /nfs/dbraw/zinc/19/77/45/564197745.db2.gz DHQHSNZABZKQPD-TZMCWYRMSA-N 1 0 377.286 2.800 20 0 GFADRO [NH3+]CC[C@@H](NC(=O)c1cc(=O)[nH]c2ccc(Br)cc21)C(F)(F)F ZINC000449716650 564197779 /nfs/dbraw/zinc/19/77/79/564197779.db2.gz GRTPKWAPRNUHTC-LLVKDONJSA-N 1 0 392.175 2.712 20 0 GFADRO COc1ccc(CC[NH2+][C@H]2CCc3cc(Cl)ccc32)cc1S(N)(=O)=O ZINC000506217578 564199075 /nfs/dbraw/zinc/19/90/75/564199075.db2.gz JMHMPEMILIFDQU-INIZCTEOSA-N 1 0 380.897 2.816 20 0 GFADRO O=S(=O)([C@H]1CC[N@H+](Cc2ccccc2)C1)N(Cc1nccs1)C1CC1 ZINC000538755458 564200593 /nfs/dbraw/zinc/20/05/93/564200593.db2.gz WOKZCBCZMDNPJX-KRWDZBQOSA-N 1 0 377.535 2.712 20 0 GFADRO C[NH+](C)CCOCCNC(=O)N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000471653821 564201795 /nfs/dbraw/zinc/20/17/95/564201795.db2.gz LLNKWVZUQARCKQ-INIZCTEOSA-N 1 0 390.311 2.655 20 0 GFADRO O=C(CSCc1ccc(Br)cc1)NCCNc1cc[nH+]cc1 ZINC000449815997 564202749 /nfs/dbraw/zinc/20/27/49/564202749.db2.gz TVFSZPGVLASHSW-UHFFFAOYSA-N 1 0 380.311 2.728 20 0 GFADRO C[C@H](CNC(=O)[C@H]1Cc2cc(Br)ccc2O1)C[NH+]1CCCCC1 ZINC000471779700 564204043 /nfs/dbraw/zinc/20/40/43/564204043.db2.gz JFLAWCATYGKAMN-CXAGYDPISA-N 1 0 381.314 2.991 20 0 GFADRO COc1ccc(SCCC(=O)N2C[C@@H]([NH+](C)C)[C@@H](SC)C2)cc1OC ZINC000539025412 564207356 /nfs/dbraw/zinc/20/73/56/564207356.db2.gz JATDSBOYDTWSAJ-PBHICJAKSA-N 1 0 384.567 2.690 20 0 GFADRO COC(=O)C(C)(C)CC[NH2+][C@H](C)C(=O)N(C)Cc1ccc(Br)cc1 ZINC000506656423 564208165 /nfs/dbraw/zinc/20/81/65/564208165.db2.gz YCGWMDQUBIQPBA-CYBMUJFWSA-N 1 0 399.329 2.975 20 0 GFADRO C[C@H]([NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1)c1ccc(Br)c(F)c1 ZINC000539046143 564208946 /nfs/dbraw/zinc/20/89/46/564208946.db2.gz VZLQTYQYFUKBKT-QWRGUYRKSA-N 1 0 379.295 2.520 20 0 GFADRO COCCC[N@H+](C)CCNC(=O)CCc1cccc(F)c1Br ZINC000449946814 564211061 /nfs/dbraw/zinc/21/10/61/564211061.db2.gz ZXBBVIOYHXLTOF-UHFFFAOYSA-N 1 0 375.282 2.605 20 0 GFADRO O=C(NCC1CC[NH2+]CC1)[C@@H](c1ccc(Br)cc1)N1CCCC1 ZINC000563884457 564211873 /nfs/dbraw/zinc/21/18/73/564211873.db2.gz UXLRFIROGDBMET-QGZVFWFLSA-N 1 0 380.330 2.702 20 0 GFADRO C[C@@H]1CCN(C(=O)c2c(Br)cnn2C)CC[N@@H+]1Cc1ccccc1 ZINC000450001524 564213302 /nfs/dbraw/zinc/21/33/02/564213302.db2.gz YPUAWQNTPFHECF-CQSZACIVSA-N 1 0 391.313 2.919 20 0 GFADRO C[NH+](C)CCOc1cccc(CNS(=O)(=O)Cc2cccc(Cl)c2)c1 ZINC000563997140 564215755 /nfs/dbraw/zinc/21/57/55/564215755.db2.gz UCLLNTASMYEDAL-UHFFFAOYSA-N 1 0 382.913 2.900 20 0 GFADRO CC(C)([NH2+]CCn1nc2ccccn2c1=O)c1ccccc1Br ZINC000539327071 564216561 /nfs/dbraw/zinc/21/65/61/564216561.db2.gz SWAGFQINLDONQZ-UHFFFAOYSA-N 1 0 375.270 2.783 20 0 GFADRO CCC[N@H+](CC)CCNC(=O)[C@H]1CSCN1C(=O)c1ccc(Cl)cc1 ZINC000472206078 564216644 /nfs/dbraw/zinc/21/66/44/564216644.db2.gz OMJYQRFYFNVPIV-MRXNPFEDSA-N 1 0 383.945 2.703 20 0 GFADRO COCCCS(=O)(=O)NCC[N@@H+]1CCCCC[C@@H]1/C=C/c1cccs1 ZINC000564047513 564217664 /nfs/dbraw/zinc/21/76/64/564217664.db2.gz NPOCQVAPEDZEMO-OAGJVSPASA-N 1 0 386.583 2.962 20 0 GFADRO COCCOc1c(Cl)cc(S(=O)(=O)N[C@@H](C)CC[NH+](C)C)cc1Cl ZINC000564072766 564219487 /nfs/dbraw/zinc/21/94/87/564219487.db2.gz YYKWGIJOUNOKJL-NSHDSACASA-N 1 0 399.340 2.637 20 0 GFADRO CS[C@@H]1CN(C[C@H](O)COc2cc(Cl)ccc2Cl)C[C@@H]1[NH+](C)C ZINC000539494073 564220771 /nfs/dbraw/zinc/22/07/71/564220771.db2.gz XQIWTQOOEZLPNA-DUVNUKRYSA-N 1 0 379.353 2.711 20 0 GFADRO Cc1ccc(S(=O)(=O)N(CC[NH+](C)C)Cc2cccs2)cc1N(C)C ZINC000472320130 564221045 /nfs/dbraw/zinc/22/10/45/564221045.db2.gz NSMOSDQOHLBKMR-UHFFFAOYSA-N 1 0 381.567 2.875 20 0 GFADRO C/C(=C\c1cccc(C(F)(F)F)c1)C[NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000564114436 564221325 /nfs/dbraw/zinc/22/13/25/564221325.db2.gz AQUNLYLMEQJKGI-NRUITVPNSA-N 1 0 376.444 2.980 20 0 GFADRO Cc1ncc(S(=O)(=O)N2CCCC[C@H]2[C@@H](C[NH3+])Cc2ccccc2)s1 ZINC000472338811 564221855 /nfs/dbraw/zinc/22/18/55/564221855.db2.gz BMLNKQCVVJTQSH-SJORKVTESA-N 1 0 379.551 2.812 20 0 GFADRO C[C@H]([NH2+][C@H]1CSC[C@H]1C)C(=O)Nc1ccc(I)cc1 ZINC000507210837 564221999 /nfs/dbraw/zinc/22/19/99/564221999.db2.gz KZTBTAQCBKXZEN-NRUUGDAUSA-N 1 0 390.290 2.959 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)Cc1sccc1Br ZINC000450293382 564225538 /nfs/dbraw/zinc/22/55/38/564225538.db2.gz XHBNKNQIQGUPSU-BNOWGMLFSA-N 1 0 387.343 2.763 20 0 GFADRO O=C([C@@H]1CCN(c2cc(Cl)ccc2Cl)C1=O)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000564288419 564227489 /nfs/dbraw/zinc/22/74/89/564227489.db2.gz UYLZYMVTEWTFBA-DETPVDSQSA-N 1 0 382.291 2.557 20 0 GFADRO CCN1CCN(C(=O)C(=O)Nc2cccc(Br)c2Cl)[C@@H](C)C1 ZINC000507407397 564227574 /nfs/dbraw/zinc/22/75/74/564227574.db2.gz RNSOHPHKHGSAAN-JTQLQIEISA-N 1 0 388.693 2.594 20 0 GFADRO CC(C)c1ccc(Cl)c(S(=O)(=O)N2C[C@H](C[NH3+])C3(C2)CCOCC3)c1 ZINC000564329280 564228699 /nfs/dbraw/zinc/22/86/99/564228699.db2.gz ROJFRLORINVFJC-HNNXBMFYSA-N 1 0 386.945 2.839 20 0 GFADRO CCOCCS(=O)(=O)NC[C@H](c1c(F)cccc1Cl)N1CCCC1 ZINC000507438555 564229208 /nfs/dbraw/zinc/22/92/08/564229208.db2.gz YYSNVSNQOZXDKV-OAHLLOKOSA-N 1 0 378.897 2.572 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)C(=O)N1CCN(CC)C[C@H]1C ZINC000507488703 564229896 /nfs/dbraw/zinc/22/98/96/564229896.db2.gz YOIACBLZBBCDKX-GFCCVEGCSA-N 1 0 382.302 2.503 20 0 GFADRO Cc1cc(S(=O)(=O)N(C)CC[N@H+](C)C2CC2)c(C)cc1Br ZINC000472687872 564230880 /nfs/dbraw/zinc/23/08/80/564230880.db2.gz CGULVELHWHQLEF-UHFFFAOYSA-N 1 0 375.332 2.781 20 0 GFADRO COCCOC[C@@H](O)C[N@H+](C)[C@@H]1CCSc2ccc(Br)cc21 ZINC000450387677 564231017 /nfs/dbraw/zinc/23/10/17/564231017.db2.gz GZSVJUIUQZAPNK-DZGCQCFKSA-N 1 0 390.343 2.942 20 0 GFADRO CC[NH+](CC)CC[C@@H](CO)NC(=O)c1cc(Br)ccc1Cl ZINC000539920163 564232336 /nfs/dbraw/zinc/23/23/36/564232336.db2.gz DJUYBKFOOSFQJN-LBPRGKRZSA-N 1 0 377.710 2.925 20 0 GFADRO OCCn1nccc1C1CC[NH+](CCOc2cccc(Br)c2)CC1 ZINC000507646259 564237283 /nfs/dbraw/zinc/23/72/83/564237283.db2.gz KLRJJZVZOCTKQA-UHFFFAOYSA-N 1 0 394.313 2.896 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)C(=O)N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C ZINC000507656183 564237713 /nfs/dbraw/zinc/23/77/13/564237713.db2.gz QOTXRWGJWTXDDS-ZFWWWQNUSA-N 1 0 394.313 2.781 20 0 GFADRO CS(=O)(=O)N1CCC[C@@H]([NH2+][C@@H]2CCc3c2c(Br)ccc3F)C1 ZINC000540173133 564240782 /nfs/dbraw/zinc/24/07/82/564240782.db2.gz DHSXHVVWPYHMTI-QMTHXVAHSA-N 1 0 391.306 2.589 20 0 GFADRO CC[NH+](CC)CC(=O)N1CCN(Cc2ccc(F)c(Br)c2)CC1 ZINC000507757579 564242636 /nfs/dbraw/zinc/24/26/36/564242636.db2.gz JJVRXVICOGKARB-UHFFFAOYSA-N 1 0 386.309 2.574 20 0 GFADRO O=S(=O)(c1cc(F)ccc1OC(F)F)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000564654602 564243587 /nfs/dbraw/zinc/24/35/87/564243587.db2.gz ABLGIQDTKVAVHI-ZDUSSCGKSA-N 1 0 378.416 2.580 20 0 GFADRO OCC[C@H]([NH2+]C[C@H](O)COc1ccc(Br)cc1)c1ccccc1 ZINC000540332666 564245467 /nfs/dbraw/zinc/24/54/67/564245467.db2.gz PUEWYADXSYIBPV-WMZOPIPTSA-N 1 0 380.282 2.902 20 0 GFADRO CC(=O)N1CCC[N@H+](C[C@@H]2CCCN(c3ccc(Br)cn3)C2)CC1 ZINC000450770834 564246706 /nfs/dbraw/zinc/24/67/06/564246706.db2.gz JBQUDEVUEHXZJV-INIZCTEOSA-N 1 0 395.345 2.615 20 0 GFADRO CCC[NH+]1CCN(c2nnc(COc3ccc(Br)cc3)n2C)CC1 ZINC000507927762 564247943 /nfs/dbraw/zinc/24/79/43/564247943.db2.gz AMQJFDWDFTZZIJ-UHFFFAOYSA-N 1 0 394.317 2.689 20 0 GFADRO Cn1cc([C@H]([NH2+]CC(=O)Nc2ccc(Br)cn2)C(C)(C)C)cn1 ZINC000540478675 564249451 /nfs/dbraw/zinc/24/94/51/564249451.db2.gz UKHMAIKZSDQTIZ-HNNXBMFYSA-N 1 0 380.290 2.893 20 0 GFADRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)CSc1nncn1-c1cccc(Cl)c1 ZINC000564816997 564250715 /nfs/dbraw/zinc/25/07/15/564250715.db2.gz PEUQKLPDDKTAET-HNNXBMFYSA-N 1 0 379.917 2.565 20 0 GFADRO CC[N@H+](CCNC(=O)C1(c2cccc(Br)c2)CC(=O)C1)C1CC1 ZINC000540544165 564251281 /nfs/dbraw/zinc/25/12/81/564251281.db2.gz GQDIRSOQCPDKRZ-UHFFFAOYSA-N 1 0 379.298 2.650 20 0 GFADRO O=C(NCCC[C@@H]1CCC[NH2+]1)c1cc(F)ccc1I ZINC000564838196 564251631 /nfs/dbraw/zinc/25/16/31/564251631.db2.gz BVDGVWBPBCZREW-NSHDSACASA-N 1 0 376.213 2.692 20 0 GFADRO Cc1cc(Br)cc2c(C(=O)N[C@@H](C)CN3CC[NH+](C)CC3)coc21 ZINC000473716691 564253406 /nfs/dbraw/zinc/25/34/06/564253406.db2.gz RRHUUIAAPMEPFG-ZDUSSCGKSA-N 1 0 394.313 2.869 20 0 GFADRO CC[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2ccc(F)cc2Br)C1 ZINC000508102226 564254650 /nfs/dbraw/zinc/25/46/50/564254650.db2.gz CRSWAHAZXIEAFW-NSHDSACASA-N 1 0 379.295 2.598 20 0 GFADRO C[C@H](Oc1ccc(Cl)cc1Br)C(=O)N[C@@H](CC[NH3+])C(F)F ZINC000564957320 564259184 /nfs/dbraw/zinc/25/91/84/564259184.db2.gz ATCYQZRQFZPZKD-XVKPBYJWSA-N 1 0 385.636 2.969 20 0 GFADRO Cc1cc(CCC(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)ccc1Br ZINC000508319926 564260951 /nfs/dbraw/zinc/26/09/51/564260951.db2.gz RJSAOMGKYGMUCU-UHFFFAOYSA-N 1 0 396.373 2.832 20 0 GFADRO CO[C@@H]1CCN(CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)[C@@H](C[NH3+])C1 ZINC000564987802 564261070 /nfs/dbraw/zinc/26/10/70/564261070.db2.gz PUALHBHBQPJRFI-VXGBXAGGSA-N 1 0 379.810 2.735 20 0 GFADRO COc1cc(Br)ccc1C[NH2+][C@H]1CCCC[C@H]1n1cc(CO)nn1 ZINC000474011998 564261498 /nfs/dbraw/zinc/26/14/98/564261498.db2.gz RPOLOCMAMGJUDX-JKSUJKDBSA-N 1 0 395.301 2.815 20 0 GFADRO COc1cc(S(=O)(=O)NCC[N@@H+]2CCCC[C@@H]2C)ccc1Br ZINC000474036719 564262518 /nfs/dbraw/zinc/26/25/18/564262518.db2.gz UTGFTCXVZRLECL-LBPRGKRZSA-N 1 0 391.331 2.610 20 0 GFADRO C[C@H]1C[N@H+](C)[C@@H](C)CN1c1ncnc2ccc(I)cc21 ZINC000508385801 564262537 /nfs/dbraw/zinc/26/25/37/564262537.db2.gz IMZZLIIKEZRTCG-QWRGUYRKSA-N 1 0 382.249 2.763 20 0 GFADRO COCC[NH2+]C1CCN(Cc2cnc3c(C)cc(Br)cn23)CC1 ZINC000565061849 564264604 /nfs/dbraw/zinc/26/46/04/564264604.db2.gz NLMXPAZJKHFSRT-UHFFFAOYSA-N 1 0 381.318 2.606 20 0 GFADRO CC1CC[NH+](CC(=O)NCCOc2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000474104770 564264890 /nfs/dbraw/zinc/26/48/90/564264890.db2.gz JWCMOSDAJICISR-UHFFFAOYSA-N 1 0 379.810 2.981 20 0 GFADRO CC(C)CNC(=O)NC(=O)C[NH2+]C1(c2cccc(Br)c2)CCC1 ZINC000508617239 564267422 /nfs/dbraw/zinc/26/74/22/564267422.db2.gz BNKKSHMPSNJNOS-UHFFFAOYSA-N 1 0 382.302 2.900 20 0 GFADRO COC(=O)[C@H](c1ccccc1C(F)(F)F)N1C[C@@H](SC)[C@H]([NH+](C)C)C1 ZINC000541203122 564268965 /nfs/dbraw/zinc/26/89/65/564268965.db2.gz RCOWHJFFHKTYGQ-KFWWJZLASA-N 1 0 376.444 2.897 20 0 GFADRO COc1cccc(C[C@@H](C)[NH2+]CCNC(=O)c2cccc(Br)c2)n1 ZINC000541250606 564270570 /nfs/dbraw/zinc/27/05/70/564270570.db2.gz BAMUWNHTWXWXRL-CYBMUJFWSA-N 1 0 392.297 2.803 20 0 GFADRO Cc1ccc(CC(=O)Nc2ccc(=O)n(CC[NH+](C)C)c2)cc1Br ZINC000474249908 564271414 /nfs/dbraw/zinc/27/14/14/564271414.db2.gz KMHDSLSVVQBGDQ-UHFFFAOYSA-N 1 0 392.297 2.662 20 0 GFADRO C[NH+](C)CCN(Cc1ccccc1F)S(=O)(=O)C[C@H]1CCCC1(F)F ZINC000451089766 564273067 /nfs/dbraw/zinc/27/30/67/564273067.db2.gz FPOKRTNGOCUXDG-OAHLLOKOSA-N 1 0 378.460 2.955 20 0 GFADRO Brc1cnc(C[NH2+]CCCO[C@@H]2CCOC2)c(Br)c1 ZINC000474369316 564276380 /nfs/dbraw/zinc/27/63/80/564276380.db2.gz KZWGEGGEYMNRQL-LLVKDONJSA-N 1 0 394.107 2.892 20 0 GFADRO CC[NH+](CC)CCCNS(=O)(=O)c1c(Cl)cc(Cl)cc1C(=O)OC ZINC000508933031 564276532 /nfs/dbraw/zinc/27/65/32/564276532.db2.gz IXVAMTTZWYEUKB-UHFFFAOYSA-N 1 0 397.324 2.790 20 0 GFADRO CN(Cc1ccccc1Br)C(=O)C[NH2+][C@@]1(C)CCO[C@@H]1C1CC1 ZINC000541379345 564276577 /nfs/dbraw/zinc/27/65/77/564276577.db2.gz IMFWIFQTFIHMHZ-MSOLQXFVSA-N 1 0 381.314 2.955 20 0 GFADRO CCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(Br)cc1F ZINC000508988577 564277746 /nfs/dbraw/zinc/27/77/46/564277746.db2.gz SYZQQOQPGYKQMI-LBPRGKRZSA-N 1 0 386.265 2.517 20 0 GFADRO C[C@@H](NC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1)c1ncc(Br)cn1 ZINC000565373259 564277979 /nfs/dbraw/zinc/27/79/79/564277979.db2.gz NYJJCSALCHCWFU-BXUZGUMPSA-N 1 0 399.358 2.634 20 0 GFADRO C[C@H]1C[C@H](NS(=O)(=O)c2ccc(Cl)cc2Br)CC[N@@H+]1C ZINC000541387675 564278072 /nfs/dbraw/zinc/27/80/72/564278072.db2.gz ZLMNWWGAFLFREM-GXSJLCMTSA-N 1 0 381.723 2.864 20 0 GFADRO Cc1cc(F)c(Br)cc1S(=O)(=O)N1CCCC[C@H]1CC[NH3+] ZINC000565363809 564278336 /nfs/dbraw/zinc/27/83/36/564278336.db2.gz ULSHESQQSYSPNI-NSHDSACASA-N 1 0 379.295 2.789 20 0 GFADRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(S(=O)(=O)c2sccc2Cl)CC1 ZINC000451143963 564279641 /nfs/dbraw/zinc/27/96/41/564279641.db2.gz GYGXAUVWQLFWTM-ZIAGYGMSSA-N 1 0 391.990 2.581 20 0 GFADRO C[C@@H](CCc1ccc(I)cc1)[NH2+][C@@H]1CCCCNC1=O ZINC000474467367 564279929 /nfs/dbraw/zinc/27/99/29/564279929.db2.gz DSLSLJMJHMWZIS-SWLSCSKDSA-N 1 0 386.277 2.871 20 0 GFADRO O=C(N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000565421634 564280173 /nfs/dbraw/zinc/28/01/73/564280173.db2.gz WQACCFMJTJFDBO-WFASDCNBSA-N 1 0 382.291 2.605 20 0 GFADRO CC(C)[N@@H+]1CCC[C@@H](NS(=O)(=O)c2ccc(F)cc2Br)C1 ZINC000474579635 564281426 /nfs/dbraw/zinc/28/14/26/564281426.db2.gz RTHBCTQSIROUCE-GFCCVEGCSA-N 1 0 379.295 2.739 20 0 GFADRO Cc1cccc(I)c1C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000474635310 564284216 /nfs/dbraw/zinc/28/42/16/564284216.db2.gz OOOJZJDNUAKHPV-UONOGXRCSA-N 1 0 384.261 2.956 20 0 GFADRO CO[C@@H]1CC[C@H]([NH2+]C[C@@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000565536202 564285176 /nfs/dbraw/zinc/28/51/76/564285176.db2.gz XWBTUUINJYHOFA-YNEHKIRRSA-N 1 0 378.694 2.999 20 0 GFADRO C[C@H]([NH2+]C1CC1)C(=O)NCCSCCOc1cccc(Br)c1 ZINC000565538580 564285286 /nfs/dbraw/zinc/28/52/86/564285286.db2.gz RVGMFSQNRAIFIP-LBPRGKRZSA-N 1 0 387.343 2.818 20 0 GFADRO Cc1cc(C(F)(F)F)ccc1S(=O)(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000509182001 564285309 /nfs/dbraw/zinc/28/53/09/564285309.db2.gz DNPDKOQVGIDOPT-CQSZACIVSA-N 1 0 382.473 2.729 20 0 GFADRO O[C@@H](C[NH2+]Cc1cn2ccsc2n1)COc1ccc(Br)cc1 ZINC000565534516 564285698 /nfs/dbraw/zinc/28/56/98/564285698.db2.gz DVXUWIHQLQMADY-ZDUSSCGKSA-N 1 0 382.283 2.688 20 0 GFADRO O=S(=O)(NC[C@@H](O)C[NH+]1CCCCC1)c1sc2ccccc2c1Cl ZINC000451228119 564289324 /nfs/dbraw/zinc/28/93/24/564289324.db2.gz NOIOPYWSDFDQJM-GFCCVEGCSA-N 1 0 388.942 2.680 20 0 GFADRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)S(=O)(=O)Cc1ccc(Br)c(F)c1 ZINC000451241023 564290236 /nfs/dbraw/zinc/29/02/36/564290236.db2.gz IVJYOQDZDDIXDD-NHYWBVRUSA-N 1 0 393.322 2.690 20 0 GFADRO COC(=O)c1cc(Cl)c(C)c(S(=O)(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000451242729 564290954 /nfs/dbraw/zinc/29/09/54/564290954.db2.gz OCUWHOKITNGHII-SMDDNHRTSA-N 1 0 388.917 2.538 20 0 GFADRO C[C@H]1C[C@H](N(C)S(=O)(=O)Cc2ccc(Br)c(F)c2)CC[N@@H+]1C ZINC000451242735 564291101 /nfs/dbraw/zinc/29/11/01/564291101.db2.gz OEYJSLAUOKYTKZ-WCQYABFASA-N 1 0 393.322 2.833 20 0 GFADRO C[C@@H](C(=O)Nc1cccc(I)c1)[N@H+](C)CC(C)(C)CO ZINC000451245244 564291370 /nfs/dbraw/zinc/29/13/70/564291370.db2.gz OSVFNOSGVAVYOU-NSHDSACASA-N 1 0 390.265 2.569 20 0 GFADRO CO[C@H](CS(=O)(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1)C1CC1 ZINC000565713699 564292974 /nfs/dbraw/zinc/29/29/74/564292974.db2.gz JRDCAXNBKFHWAC-IAGOWNOFSA-N 1 0 386.583 2.866 20 0 GFADRO CN1CCC(CCO)([NH2+]Cc2cc(Br)c3c(c2)OCCCO3)CC1 ZINC000565725862 564293288 /nfs/dbraw/zinc/29/32/88/564293288.db2.gz LZNVSPCIIIIPTP-UHFFFAOYSA-N 1 0 399.329 2.547 20 0 GFADRO CN(CC[N@H+](C)C[C@@H]1CCCC(F)(F)C1)c1ccc(S(N)(=O)=O)cc1 ZINC000451274085 564293971 /nfs/dbraw/zinc/29/39/71/564293971.db2.gz FKGRDYAYXWWDIT-CQSZACIVSA-N 1 0 375.485 2.528 20 0 GFADRO C[C@H](CCc1ccc(I)cc1)[NH2+]CCCOCCO ZINC000474924830 564294234 /nfs/dbraw/zinc/29/42/34/564294234.db2.gz JGWNEXZMSLMWJB-CYBMUJFWSA-N 1 0 377.266 2.601 20 0 GFADRO C[C@H](CCc1ccc(I)cc1)[NH2+][C@H](C)C[S@](C)=O ZINC000474937766 564294830 /nfs/dbraw/zinc/29/48/30/564294830.db2.gz YSMARZIFYSALID-FMTVUPSXSA-N 1 0 379.307 2.969 20 0 GFADRO OC[C@@H]([NH2+]Cc1nc(-c2cccc(Br)c2)c[nH]1)[C@@H]1CCCOC1 ZINC000565820965 564296402 /nfs/dbraw/zinc/29/64/02/564296402.db2.gz MVEUMNJXDMHIIM-CZUORRHYSA-N 1 0 380.286 2.716 20 0 GFADRO COc1ccc(C[NH2+]CCNS(=O)(=O)c2ccc(F)cc2Cl)cc1F ZINC000509402639 564296587 /nfs/dbraw/zinc/29/65/87/564296587.db2.gz REWDBVVSXJIYKW-UHFFFAOYSA-N 1 0 390.839 2.695 20 0 GFADRO CC[C@@H]1C[C@@H](C[NH2+]CCNS(=O)(=O)c2ccc(F)cc2Cl)CCO1 ZINC000509411523 564297585 /nfs/dbraw/zinc/29/75/85/564297585.db2.gz UPDYCGPFKHPBLW-GXTWGEPZSA-N 1 0 378.897 2.552 20 0 GFADRO C[C@H]([NH2+]CCNS(=O)(=O)c1ccc(F)cc1Cl)c1cncc(F)c1 ZINC000509408798 564297780 /nfs/dbraw/zinc/29/77/80/564297780.db2.gz BJZMZJDJFFGLHM-JTQLQIEISA-N 1 0 375.828 2.642 20 0 GFADRO O=C(CC[NH+]1CCC(c2nc(C(F)(F)F)cs2)CC1)N1CCOCC1 ZINC000451297819 564298021 /nfs/dbraw/zinc/29/80/21/564298021.db2.gz UVFVCPRCYTYQGY-UHFFFAOYSA-N 1 0 377.432 2.590 20 0 GFADRO C[C@@H]1C[C@@H](NS(=O)(=O)Cc2ccc(Br)c(F)c2)C[N@@H+]1C1CC1 ZINC000451299107 564298090 /nfs/dbraw/zinc/29/80/90/564298090.db2.gz RDSOIKJJQXNDCH-ZYHUDNBSSA-N 1 0 391.306 2.633 20 0 GFADRO Cn1cc(CN2C[C@@H](F)C[C@H]2C[NH2+]Cc2ccc(Br)cc2)cn1 ZINC000475051480 564298452 /nfs/dbraw/zinc/29/84/52/564298452.db2.gz IIDFFPLREVASCA-IRXDYDNUSA-N 1 0 381.293 2.885 20 0 GFADRO Fc1cccc(Br)c1C[NH2+]CCc1nnnn1-c1ccccc1 ZINC000509430062 564298472 /nfs/dbraw/zinc/29/84/72/564298472.db2.gz ODEDCKSFPGKZPH-UHFFFAOYSA-N 1 0 376.233 2.896 20 0 GFADRO C[C@H](CNC(=O)c1cn(Cc2ccc(Cl)cc2Cl)nn1)[NH+]1CCCC1 ZINC000565877013 564299971 /nfs/dbraw/zinc/29/99/71/564299971.db2.gz JMKYHDALBZVFFP-GFCCVEGCSA-N 1 0 382.295 2.847 20 0 GFADRO O=C(NCCc1nc(C(F)(F)F)cs1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000565940845 564303371 /nfs/dbraw/zinc/30/33/71/564303371.db2.gz AKNVQFKEFLZOTN-GFCCVEGCSA-N 1 0 376.448 2.736 20 0 GFADRO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)NCCOc1ncc(Cl)cc1Cl ZINC000475374594 564307151 /nfs/dbraw/zinc/30/71/51/564307151.db2.gz ZYWBEJMGWSOQKW-AWEZNQCLSA-N 1 0 375.300 2.749 20 0 GFADRO COCC[NH+]1CCC(NC(=O)c2ccc(Cl)c(Br)c2)CC1 ZINC000509653085 564308049 /nfs/dbraw/zinc/30/80/49/564308049.db2.gz ZLAAQSPBUCJLOS-UHFFFAOYSA-N 1 0 375.694 2.943 20 0 GFADRO C[C@@H]1CN(C(=O)[C@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)[C@@H](C)C[N@@H+]1C ZINC000509651533 564308101 /nfs/dbraw/zinc/30/81/01/564308101.db2.gz LALAZHGJOIMQSP-DYEKYZERSA-N 1 0 384.307 2.897 20 0 GFADRO NC(=O)[C@@H]([NH2+]C1CCN(c2ccccn2)CC1)c1cccc(Br)c1 ZINC000475432157 564308739 /nfs/dbraw/zinc/30/87/39/564308739.db2.gz XRYWMELLNFQBRP-KRWDZBQOSA-N 1 0 389.297 2.629 20 0 GFADRO CO[C@H]([C@H](C)[NH2+]CCS(=O)(=O)c1cccc(Br)c1)C1CC1 ZINC000566121650 564310281 /nfs/dbraw/zinc/31/02/81/564310281.db2.gz MARAFROXTYZZFO-XHDPSFHLSA-N 1 0 376.316 2.626 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)C[NH2+]C[C@H](O)COc1ccccc1 ZINC000566107511 564310688 /nfs/dbraw/zinc/31/06/88/564310688.db2.gz KXZOYSQGELIKOZ-HNNXBMFYSA-N 1 0 393.281 2.726 20 0 GFADRO COc1cc(C[NH2+]C[C@H](O)COc2cccc(Br)c2)ccc1O ZINC000566117621 564310854 /nfs/dbraw/zinc/31/08/54/564310854.db2.gz WFJKYXHIJQFMNC-AWEZNQCLSA-N 1 0 382.254 2.693 20 0 GFADRO Cc1ccc(Br)c(NC(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)[C@H]2C)c1 ZINC000509744334 564311752 /nfs/dbraw/zinc/31/17/52/564311752.db2.gz RUFQZBVJZMBSAU-CZUORRHYSA-N 1 0 394.313 2.781 20 0 GFADRO Cc1c(Br)cccc1NC(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)[C@H]1C ZINC000509739598 564311761 /nfs/dbraw/zinc/31/17/61/564311761.db2.gz JANKKMKAXCMGJE-CZUORRHYSA-N 1 0 394.313 2.781 20 0 GFADRO COCCOc1c(Cl)cc(NC(=O)C2(COC)CC[NH2+]CC2)cc1Cl ZINC000566188555 564315703 /nfs/dbraw/zinc/31/57/03/564315703.db2.gz ULQSULYTWADNIQ-UHFFFAOYSA-N 1 0 391.295 2.973 20 0 GFADRO CC(=O)c1ccc(CNC(=O)[C@@](C)([NH3+])c2ccc(Br)cc2)nc1C ZINC000566191218 564315708 /nfs/dbraw/zinc/31/57/08/564315708.db2.gz AJBQCAUQMTUBBO-SFHVURJKSA-N 1 0 390.281 2.845 20 0 GFADRO COCCN(Cc1sccc1Br)C(=O)[C@H]1CC12CC[NH2+]CC2 ZINC000566197374 564316177 /nfs/dbraw/zinc/31/61/77/564316177.db2.gz ATFPKVRMZUTVMU-GFCCVEGCSA-N 1 0 387.343 2.875 20 0 GFADRO C[NH2+]C[C@H]1CCCN(C(=O)c2ncc(Br)cc2Br)C1 ZINC000566203452 564316197 /nfs/dbraw/zinc/31/61/97/564316197.db2.gz YEENXGOVWQBALF-SECBINFHSA-N 1 0 391.107 2.678 20 0 GFADRO CCOC(=O)Cc1csc(NC(=O)C[N@H+](C)[C@@H]2CC[C@@H](SCC)C2)n1 ZINC000542515715 564317279 /nfs/dbraw/zinc/31/72/79/564317279.db2.gz XCLQNEDOMWLMHX-ZIAGYGMSSA-N 1 0 385.555 2.793 20 0 GFADRO CC(C)(C)[C@@H]1CC[N@H+](C[C@H](O)COc2ccc(Br)cc2)C[C@@H]1O ZINC000542554153 564318415 /nfs/dbraw/zinc/31/84/15/564318415.db2.gz UQCSHLCRYJHNFZ-UAGQMJEPSA-N 1 0 386.330 2.918 20 0 GFADRO CN(Cc1cn2c(n1)CCCC2)C(=O)[C@@](C)([NH3+])c1ccc(Br)cc1 ZINC000566249703 564319232 /nfs/dbraw/zinc/31/92/32/564319232.db2.gz DRJDVDGSEBNZMC-SFHVURJKSA-N 1 0 391.313 2.814 20 0 GFADRO COc1ccc(S(=O)(=O)N(C)CCC[NH+]2CCCC2)cc1Br ZINC000542692373 564321970 /nfs/dbraw/zinc/32/19/70/564321970.db2.gz KCHJOETYZONRHK-UHFFFAOYSA-N 1 0 391.331 2.564 20 0 GFADRO Cc1cc(NC(=O)CC[N@@H+]2CC[C@@H](c3cccc(Br)c3)C2)no1 ZINC000451565358 564325337 /nfs/dbraw/zinc/32/53/37/564325337.db2.gz HVAVRHNNJAAJOM-CQSZACIVSA-N 1 0 378.270 3.564 20 0 GFADRO CC(C)[N@H+](C)C[C@H](C)NS(=O)(=O)Cc1ccc(Br)c(F)c1 ZINC000451568050 564326466 /nfs/dbraw/zinc/32/64/66/564326466.db2.gz QLEHXWFURDEPCU-NSHDSACASA-N 1 0 381.311 2.736 20 0 GFADRO CC[N@H+](CC(=O)N[C@@](C)(CC(=O)OC)c1ccc(Br)cc1)C1CC1 ZINC000476098511 564327253 /nfs/dbraw/zinc/32/72/53/564327253.db2.gz WQKQOSWNYLYKGP-SFHVURJKSA-N 1 0 397.313 2.828 20 0 GFADRO Cn1cc(N2CC[C@@H](N3CC[C@@H](c4cccc(Br)c4)C3)C2=O)cn1 ZINC000451575389 564327726 /nfs/dbraw/zinc/32/77/26/564327726.db2.gz XRXBZBXCFFZTJP-RHSMWYFYSA-N 1 0 389.297 2.777 20 0 GFADRO O=C1[C@H]([NH2+][C@H]([C@H](CO)C2CC2)C2CC2)CCN1c1cccc(Br)c1 ZINC000451614004 564331978 /nfs/dbraw/zinc/33/19/78/564331978.db2.gz OEDGBYGMXRJNKZ-KURKYZTESA-N 1 0 393.325 2.941 20 0 GFADRO [NH3+]CC12CCC(CC1)CN2C(=O)c1cn(-c2ccc(Br)cc2)cn1 ZINC000566568514 564332194 /nfs/dbraw/zinc/33/21/94/564332194.db2.gz VPJJQIDYDYWALN-UHFFFAOYSA-N 1 0 389.297 2.978 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+]C[C@@H]2CSc3ccccc3O2)cc1Cl ZINC000566561421 564332443 /nfs/dbraw/zinc/33/24/43/564332443.db2.gz OYTHCTDZLNLAAY-GFCCVEGCSA-N 1 0 384.910 2.630 20 0 GFADRO COc1cc(Br)ccc1CCC(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000542953413 564333686 /nfs/dbraw/zinc/33/36/86/564333686.db2.gz RCWHTTFFUARWPN-MLGOLLRUSA-N 1 0 381.314 2.989 20 0 GFADRO C[C@H](CNS(=O)(=O)c1cccc(Cl)c1Br)[NH+]1CCCC1 ZINC000566654960 564336352 /nfs/dbraw/zinc/33/63/52/564336352.db2.gz FVYAQZUODXXFLI-SNVBAGLBSA-N 1 0 381.723 2.865 20 0 GFADRO O=S(=O)(N[C@H]1CCC[N@@H+](CCCO)C1)c1c(Cl)ccc2ccccc21 ZINC000451668961 564338175 /nfs/dbraw/zinc/33/81/75/564338175.db2.gz MFUVJINJLJSVCV-HNNXBMFYSA-N 1 0 382.913 2.618 20 0 GFADRO O=C(NCCOc1cccc(Br)c1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000566727272 564340043 /nfs/dbraw/zinc/34/00/43/564340043.db2.gz HPSAVDKVSLVULU-KRWDZBQOSA-N 1 0 382.302 2.613 20 0 GFADRO CC[C@@H]([NH2+]CCCNS(=O)(=O)c1ccccc1Br)C1CC1 ZINC000566753651 564342133 /nfs/dbraw/zinc/34/21/33/564342133.db2.gz SIERZIOFHJKXML-CQSZACIVSA-N 1 0 375.332 2.896 20 0 GFADRO COC(=O)C[C@@H]1CSCC[N@@H+]1C[C@H](O)CO[C@H](C)c1ccc(Cl)cc1 ZINC000476571604 564346235 /nfs/dbraw/zinc/34/62/35/564346235.db2.gz KJVUJBPMCASZRK-XYPHTWIQSA-N 1 0 387.929 2.759 20 0 GFADRO CN(C)S(=O)(=O)CC[N@@H+](Cc1cccc(Br)c1)CC1CC1 ZINC000510768476 564346367 /nfs/dbraw/zinc/34/63/67/564346367.db2.gz YHDFPQFBKOXYPZ-UHFFFAOYSA-N 1 0 375.332 2.553 20 0 GFADRO O[C@@H](C[NH2+]Cc1nccn1CC(F)(F)F)COCc1ccccc1Cl ZINC000566909547 564348551 /nfs/dbraw/zinc/34/85/51/564348551.db2.gz IXKKORIYJPQYPN-ZDUSSCGKSA-N 1 0 377.794 2.766 20 0 GFADRO OC[C@@H]1CC[C@H]([NH2+]C[C@@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000566915969 564349526 /nfs/dbraw/zinc/34/95/26/564349526.db2.gz RFFMOQBBQOPNPM-KGYLQXTDSA-N 1 0 378.694 2.593 20 0 GFADRO C[C@H]([NH2+]C[C@@H](O)COc1ccc(Br)cc1)C(=O)N1CCCC[C@@H]1C ZINC000566968694 564351402 /nfs/dbraw/zinc/35/14/02/564351402.db2.gz DUUDDQRCTQSAQD-OFQRWUPVSA-N 1 0 399.329 2.568 20 0 GFADRO C[C@@H]([NH2+][C@@H](C)c1cccc(S(N)(=O)=O)c1)C(=O)Nc1ccc(Cl)cc1 ZINC000510968084 564352035 /nfs/dbraw/zinc/35/20/35/564352035.db2.gz MGOXTWQOHWHXSD-NWDGAFQWSA-N 1 0 381.885 2.665 20 0 GFADRO O=C(N[C@H]1CC[N@@H+](C2CC2)C1)N1CCc2c(Br)ccc(F)c2C1 ZINC000543476616 564352732 /nfs/dbraw/zinc/35/27/32/564352732.db2.gz YZNULBSLIBRDOW-NSHDSACASA-N 1 0 382.277 2.893 20 0 GFADRO C[N@@H+]1CC[C@@H]2OCCN(C(=O)COc3c(Cl)cc(Cl)cc3Cl)[C@@H]2C1 ZINC000451799617 564353169 /nfs/dbraw/zinc/35/31/69/564353169.db2.gz HDBVQJRDIARBPL-KGLIPLIRSA-N 1 0 393.698 2.957 20 0 GFADRO CCC[N@H+](C)CC(=O)N[C@](C)(CC(=O)OC)c1ccc(Br)cc1 ZINC000476832232 564354621 /nfs/dbraw/zinc/35/46/21/564354621.db2.gz VJEKYTFVXJUURI-QGZVFWFLSA-N 1 0 385.302 2.685 20 0 GFADRO CN(C)CC[NH+]1CCC(CNC(=O)c2cnc(-c3ccsc3)s2)CC1 ZINC000511058185 564355182 /nfs/dbraw/zinc/35/51/82/564355182.db2.gz XFLHZFYPGGOUQV-UHFFFAOYSA-N 1 0 378.567 2.875 20 0 GFADRO CC[C@H](C)[N@H+](C)CCNC(=O)NCc1cn2cc(Br)cc(C)c2n1 ZINC000543698897 564360672 /nfs/dbraw/zinc/36/06/72/564360672.db2.gz DWOJDDBMEIDIJR-ZDUSSCGKSA-N 1 0 396.333 2.935 20 0 GFADRO C[C@@H](C1CC[NH+](C)CC1)N(C)S(=O)(=O)c1ccc(OC(F)(F)F)cc1 ZINC000543708418 564360971 /nfs/dbraw/zinc/36/09/71/564360971.db2.gz YHJFCGXNVYBKSU-LBPRGKRZSA-N 1 0 380.432 2.936 20 0 GFADRO O[C@@H]1C[C@H]([C@H]2CCCOC2)[N@H+](Cc2cc3c(cc2Br)OCO3)C1 ZINC000567190010 564361345 /nfs/dbraw/zinc/36/13/45/564361345.db2.gz WYRFQDWAFOARCQ-NJZAAPMLSA-N 1 0 384.270 2.540 20 0 GFADRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N[C@@H](C)Cc1ccc(Cl)cc1Cl ZINC000477027204 564361843 /nfs/dbraw/zinc/36/18/43/564361843.db2.gz JWRPZLXUCMKKJW-QWHCGFSZSA-N 1 0 388.339 2.887 20 0 GFADRO C[NH+]1CCC(C)(CNC(=O)NCCOc2ncc(Cl)cc2Cl)CC1 ZINC000543741194 564362088 /nfs/dbraw/zinc/36/20/88/564362088.db2.gz IOJWLCLVUQLPJU-UHFFFAOYSA-N 1 0 375.300 2.798 20 0 GFADRO CCOC(=O)c1cc(Cl)cc(S(=O)(=O)NC(C)(C)CCC[NH+](C)C)c1 ZINC000451897863 564363660 /nfs/dbraw/zinc/36/36/60/564363660.db2.gz WUOPTXLNLXUVRE-UHFFFAOYSA-N 1 0 390.933 2.915 20 0 GFADRO C[C@](CO)([NH2+]CCCN1C(=O)NC(C)(C)C1=O)c1cc(Cl)cc(Cl)c1 ZINC000451905128 564364480 /nfs/dbraw/zinc/36/44/80/564364480.db2.gz HAYOQLQXQKCJBR-QGZVFWFLSA-N 1 0 388.295 2.511 20 0 GFADRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N[C@@H](CCO)c1ccccc1Br ZINC000543824723 564364898 /nfs/dbraw/zinc/36/48/98/564364898.db2.gz ODZPWLQNHFPSDU-OAUYIBNBSA-N 1 0 396.329 2.655 20 0 GFADRO C[C@@](CO)([NH2+]CCCN1C(=O)NC(C)(C)C1=O)c1cc(Cl)cc(Cl)c1 ZINC000451905127 564364902 /nfs/dbraw/zinc/36/49/02/564364902.db2.gz HAYOQLQXQKCJBR-KRWDZBQOSA-N 1 0 388.295 2.511 20 0 GFADRO COc1cc(C)c(S(=O)(=O)N2C[C@H](SC)[C@@H]([NH+]3CCCC3)C2)cc1C ZINC000477137146 564366260 /nfs/dbraw/zinc/36/62/60/564366260.db2.gz LDXKWBORKLPAOP-RDJZCZTQSA-N 1 0 384.567 2.512 20 0 GFADRO O[C@H](COc1c(Cl)cccc1Cl)C[N@@H+]1CC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000451918766 564366787 /nfs/dbraw/zinc/36/67/87/564366787.db2.gz YXBOKROFWNEWOH-BFVZDQMLSA-N 1 0 388.213 2.978 20 0 GFADRO Cc1cc(S(=O)(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)ccc1Br ZINC000567352229 564367830 /nfs/dbraw/zinc/36/78/30/564367830.db2.gz VMYRXFWGNZWBHF-CQSZACIVSA-N 1 0 387.343 2.768 20 0 GFADRO [NH3+]C1CCC(OCC(=O)N2CCO[C@H](c3cccc(Br)c3)C2)CC1 ZINC000567349609 564367967 /nfs/dbraw/zinc/36/79/67/564367967.db2.gz XBUHHUCFYFFDCO-JCYILVPMSA-N 1 0 397.313 2.636 20 0 GFADRO CN(CCC[NH3+])C(=O)C(=O)Nc1ccc(Br)c(Cl)c1Cl ZINC000567358007 564368191 /nfs/dbraw/zinc/36/81/91/564368191.db2.gz VEVQYTCPXSFKKS-UHFFFAOYSA-N 1 0 383.073 2.502 20 0 GFADRO COc1cc([C@H](C)[NH2+]CCNS(=O)(=O)c2ccc(F)cc2Cl)ccn1 ZINC000567373667 564369062 /nfs/dbraw/zinc/36/90/62/564369062.db2.gz VOFUAVLAFXWMBF-NSHDSACASA-N 1 0 387.864 2.512 20 0 GFADRO COc1cc(NC(=O)c2cnn([C@@H]3CCC[NH2+]C3)c2)ccc1Br ZINC000567375247 564369247 /nfs/dbraw/zinc/36/92/47/564369247.db2.gz HDTMACWSGVDLLO-CYBMUJFWSA-N 1 0 379.258 2.831 20 0 GFADRO C[C@@H](CC[NH3+])NC(=O)Cc1ccc(NC(=O)c2ccc(Br)o2)cc1 ZINC000477189847 564369209 /nfs/dbraw/zinc/36/92/09/564369209.db2.gz PSIGQDYSSSKAIF-NSHDSACASA-N 1 0 394.269 2.690 20 0 GFADRO CC[N@H+](C)C[C@@H]1CCN(Cc2cn(-c3ccccc3Br)nn2)C1 ZINC000567408457 564369711 /nfs/dbraw/zinc/36/97/11/564369711.db2.gz PCFTVTYEQZAJIF-AWEZNQCLSA-N 1 0 378.318 2.803 20 0 GFADRO CC[N@H+](CCNC(=O)c1ccc(F)c(I)c1)C(C)C ZINC000477231641 564370036 /nfs/dbraw/zinc/37/00/36/564370036.db2.gz NBVMKRXHUIJLRP-UHFFFAOYSA-N 1 0 378.229 2.890 20 0 GFADRO CN(CC[NH2+][C@H](c1ccc(Cl)cc1)[C@@H]1CN(C)CCO1)CC(F)(F)F ZINC000511383575 564370632 /nfs/dbraw/zinc/37/06/32/564370632.db2.gz YHFHPLJVWAVAKE-JKSUJKDBSA-N 1 0 379.854 2.795 20 0 GFADRO CCOC(=O)COc1c(Br)cc(C)cc1C[NH2+][C@H](C)C[C@@H](C)O ZINC000544031475 564371868 /nfs/dbraw/zinc/37/18/68/564371868.db2.gz IVYNGDZTWIWMPZ-CHWSQXEVSA-N 1 0 388.302 2.948 20 0 GFADRO C[C@H]1CCC[N@H+](CCNC(=O)c2ccc(F)c(I)c2)C1 ZINC000477304312 564372299 /nfs/dbraw/zinc/37/22/99/564372299.db2.gz BSJZFXNVOCBWFD-NSHDSACASA-N 1 0 390.240 2.892 20 0 GFADRO O=C(N[C@@H]1C[C@H]1C1CC[NH2+]CC1)N[C@@H]1COc2cc(F)c(Br)cc21 ZINC000567477931 564373443 /nfs/dbraw/zinc/37/34/43/564373443.db2.gz PQWKNUMBNXPBGF-COLVAYQJSA-N 1 0 398.276 2.709 20 0 GFADRO CC1(C)CN(C(=O)CSc2nnc(-c3cccs3)n2C2CC2)CC[NH2+]1 ZINC000477343998 564374176 /nfs/dbraw/zinc/37/41/76/564374176.db2.gz XYMWHALBMASTMT-UHFFFAOYSA-N 1 0 377.539 2.644 20 0 GFADRO CC(=O)Nc1ccc(C[NH2+]C[C@@H](O)COc2ccc(Br)cc2)cc1 ZINC000567492866 564374639 /nfs/dbraw/zinc/37/46/39/564374639.db2.gz WSLJYMMZSZPJFD-QGZVFWFLSA-N 1 0 393.281 2.937 20 0 GFADRO C[NH+](C)CCN(C1CCCC1)S(=O)(=O)c1ccc(OCC(F)F)cc1 ZINC000544128284 564376371 /nfs/dbraw/zinc/37/63/71/564376371.db2.gz PVDFHJBSVJWELK-UHFFFAOYSA-N 1 0 376.469 2.825 20 0 GFADRO C[NH+](C)Cc1ccc(S(=O)(=O)NCc2csc(-c3ccco3)n2)cc1 ZINC000477480043 564378685 /nfs/dbraw/zinc/37/86/85/564378685.db2.gz WGEYZXSCATVDPE-UHFFFAOYSA-N 1 0 377.491 2.943 20 0 GFADRO CN(C)C(=O)N[C@@H]1CCC[N@H+](CCC(=O)Nc2ccccc2Br)C1 ZINC000452007430 564380123 /nfs/dbraw/zinc/38/01/23/564380123.db2.gz HIRIPZZUWPIKNA-CYBMUJFWSA-N 1 0 397.317 2.513 20 0 GFADRO O=C(COc1cc(Cl)cc(Cl)c1)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000567659419 564381562 /nfs/dbraw/zinc/38/15/62/564381562.db2.gz DJWABHLFWQPVDI-UHFFFAOYSA-N 1 0 386.323 2.705 20 0 GFADRO CN1CCCC(C)(C)[C@@H]1C[NH2+]Cc1ncc(I)s1 ZINC000511764925 564381630 /nfs/dbraw/zinc/38/16/30/564381630.db2.gz JSYMJOUKYQSQFY-JTQLQIEISA-N 1 0 379.311 2.958 20 0 GFADRO COCCN1CC[C@@H]([NH2+]CC2(c3cccc(Br)c3)CCOCC2)C1 ZINC000544352510 564383651 /nfs/dbraw/zinc/38/36/51/564383651.db2.gz HXEGXVPBJKLHLJ-GOSISDBHSA-N 1 0 397.357 2.808 20 0 GFADRO CCO[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl ZINC000452035218 564385472 /nfs/dbraw/zinc/38/54/72/564385472.db2.gz NIRXJLZVEKTABQ-GDBMZVCRSA-N 1 0 388.917 2.619 20 0 GFADRO C[C@H]([NH2+]CCCN1CCOCC1)c1nc(-c2ccc(Br)cc2)no1 ZINC000544508813 564388116 /nfs/dbraw/zinc/38/81/16/564388116.db2.gz DEYNDCJIGLFEEA-ZDUSSCGKSA-N 1 0 395.301 2.872 20 0 GFADRO COc1cc(Cl)c(S(=O)(=O)NCC[N@@H+]2CCCC2(C)C)cc1OC ZINC000452079720 564389368 /nfs/dbraw/zinc/38/93/68/564389368.db2.gz ATCKLBFEURUHRU-UHFFFAOYSA-N 1 0 376.906 2.510 20 0 GFADRO CC[C@H](NC(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1ccc(Cl)s1 ZINC000512024992 564389893 /nfs/dbraw/zinc/38/98/93/564389893.db2.gz GLDGKUDITLFFFX-STQMWFEESA-N 1 0 386.949 2.739 20 0 GFADRO CCOCCOC[C@H](O)C[NH2+][C@H]1CCc2c1c(Br)ccc2F ZINC000477931832 564390411 /nfs/dbraw/zinc/39/04/11/564390411.db2.gz DBKBEEZWACMZER-ABAIWWIYSA-N 1 0 376.266 2.579 20 0 GFADRO C[N@@H+]1CCC[C@H]1CNC(=O)NC(C)(C)COc1ncc(Cl)cc1Cl ZINC000544622139 564390601 /nfs/dbraw/zinc/39/06/01/564390601.db2.gz SGVLDHOEYYWYIA-LBPRGKRZSA-N 1 0 375.300 2.939 20 0 GFADRO O=C(c1csc(I)c1)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000567814616 564390938 /nfs/dbraw/zinc/39/09/38/564390938.db2.gz VSGFSTIOZSXHOW-WDEREUQCSA-N 1 0 390.290 2.814 20 0 GFADRO NC(=O)[C@@H](Cc1ccccc1)[NH2+][C@@H]1CCN(c2ccccc2Br)C1 ZINC000544640815 564391542 /nfs/dbraw/zinc/39/15/42/564391542.db2.gz JJXAFYRWDVMNRZ-NVXWUHKLSA-N 1 0 388.309 2.714 20 0 GFADRO [NH3+][C@@H]1CN(C(=O)[C@@H]2COc3ccc(Br)cc32)C[C@H]1c1ccccc1 ZINC000567837722 564391870 /nfs/dbraw/zinc/39/18/70/564391870.db2.gz RJVICGOLRHNHGU-GVDBMIGSSA-N 1 0 387.277 2.878 20 0 GFADRO C[C@@H]1CCC[C@@](CNC(=O)C(=O)N(C)Cc2ccc(Cl)s2)([NH+](C)C)C1 ZINC000477983251 564392241 /nfs/dbraw/zinc/39/22/41/564392241.db2.gz AOQPEXOOABIKJN-FZKQIMNGSA-N 1 0 385.961 2.987 20 0 GFADRO CCOC(=O)c1cc(Cl)cc(S(=O)(=O)N(C)[C@H]2CC[N@@H+](C(C)C)C2)c1 ZINC000452105325 564392577 /nfs/dbraw/zinc/39/25/77/564392577.db2.gz NUVLCRCMVQKPOO-HNNXBMFYSA-N 1 0 388.917 2.620 20 0 GFADRO CC(C)[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2c(F)cccc2OC(F)(F)F)C1 ZINC000452105378 564392620 /nfs/dbraw/zinc/39/26/20/564392620.db2.gz NYUDOCWBKZWXJF-NSHDSACASA-N 1 0 384.395 2.828 20 0 GFADRO CCC([NH3+])(CC)CNS(=O)(=O)c1cc(Cl)c(OCCOC)c(Cl)c1 ZINC000567851050 564392796 /nfs/dbraw/zinc/39/27/96/564392796.db2.gz BBGNWFZHJMTQRJ-UHFFFAOYSA-N 1 0 399.340 2.814 20 0 GFADRO CC[NH+](CC)CCOCCNS(=O)(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000544669888 564393557 /nfs/dbraw/zinc/39/35/57/564393557.db2.gz PTJNCPWRQQIIQL-UHFFFAOYSA-N 1 0 383.341 2.771 20 0 GFADRO O[C@H](C[NH2+]C[C@@H]1CCC[C@@H](O)C1)COc1ccc(Cl)cc1Br ZINC000567876328 564393962 /nfs/dbraw/zinc/39/39/62/564393962.db2.gz QUFNTEUUTHGDRN-MRVWCRGKSA-N 1 0 392.721 2.983 20 0 GFADRO FC(F)[C@@H]1C[NH2+]CCN1Cc1cc(Br)c2c(c1)OCCCO2 ZINC000567870910 564394017 /nfs/dbraw/zinc/39/40/17/564394017.db2.gz XLENARDKAFHCDY-LBPRGKRZSA-N 1 0 377.229 2.649 20 0 GFADRO Cc1cc(OC[C@H](O)C[NH2+]CC2(S(C)(=O)=O)CC2)c(C(C)C)cc1Cl ZINC000567892173 564394893 /nfs/dbraw/zinc/39/48/93/564394893.db2.gz HCLBECCGZRWMNM-CQSZACIVSA-N 1 0 389.945 2.678 20 0 GFADRO [NH3+]C[C@@H]1c2ccccc2CCN1C(=O)C(=O)NCc1cc(Cl)sc1Cl ZINC000567880653 564395084 /nfs/dbraw/zinc/39/50/84/564395084.db2.gz KYWUZALMPZGCCW-CYBMUJFWSA-N 1 0 398.315 2.756 20 0 GFADRO C[NH+](C)CC1(CNS(=O)(=O)Cc2ccc(Br)cc2)CCCC1 ZINC000544725152 564396136 /nfs/dbraw/zinc/39/61/36/564396136.db2.gz QWNPPWRODRMPJI-UHFFFAOYSA-N 1 0 389.359 2.991 20 0 GFADRO C[C@@H]1CN(C(=O)[C@@H]2Cc3cc(Br)ccc3O2)CC[N@@H+](C2CC2)C1 ZINC000452167159 564397197 /nfs/dbraw/zinc/39/71/97/564397197.db2.gz BJVIJRJYNYBWNK-SJCJKPOMSA-N 1 0 379.298 2.695 20 0 GFADRO CS(=O)(=O)[C@@H]1CCC[C@@H]([NH2+][C@@H](CCO)c2ccccc2Br)C1 ZINC000512350199 564398558 /nfs/dbraw/zinc/39/85/58/564398558.db2.gz JOIHGBYXXHQNPV-IOASZLSFSA-N 1 0 390.343 2.818 20 0 GFADRO O=C(CCCOc1ccccc1Br)N[C@H](CO)C[NH+]1CCCCC1 ZINC000512383889 564399497 /nfs/dbraw/zinc/39/94/97/564399497.db2.gz GUACRBODUGENBY-HNNXBMFYSA-N 1 0 399.329 2.571 20 0 GFADRO Cc1cc(CCC(=O)N[C@@H](CO)C[NH+]2CCCCC2)ccc1Br ZINC000512389561 564399756 /nfs/dbraw/zinc/39/97/56/564399756.db2.gz NUBQCCSKUPAAHT-MRXNPFEDSA-N 1 0 383.330 2.653 20 0 GFADRO COc1c[nH+]ccc1N1CCN(C(=O)c2ccc(Br)s2)CC1 ZINC000478460288 564403568 /nfs/dbraw/zinc/40/35/68/564403568.db2.gz IWOXTDMWFKMVFZ-UHFFFAOYSA-N 1 0 382.283 2.877 20 0 GFADRO O=C(CCCOc1cccc(Br)c1)NC[C@H]1CCC[N@H+]1CCCO ZINC000452349594 564406596 /nfs/dbraw/zinc/40/65/96/564406596.db2.gz NCDZALULZIJDMC-MRXNPFEDSA-N 1 0 399.329 2.571 20 0 GFADRO Cc1nn(C)cc1[C@H](C)[NH2+]C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000568165131 564406908 /nfs/dbraw/zinc/40/69/08/564406908.db2.gz PHMJJITVYJTYDP-HZMBPMFUSA-N 1 0 386.265 2.721 20 0 GFADRO C[NH+](C)CCNS(=O)(=O)c1cccc(NCc2c(F)cccc2Cl)c1 ZINC000512624730 564407791 /nfs/dbraw/zinc/40/77/91/564407791.db2.gz ZPWMKMLITKNIGB-UHFFFAOYSA-N 1 0 385.892 2.931 20 0 GFADRO CC[C@H](C)NS(=O)(=O)c1cccc(NCc2ncc(CN(C)C)s2)c1 ZINC000512664180 564407930 /nfs/dbraw/zinc/40/79/30/564407930.db2.gz XNDMKHCDBAUFFI-ZDUSSCGKSA-N 1 0 382.555 2.894 20 0 GFADRO CC(C)[NH2+]C1(CO)CCN(Cc2nc3cc(Br)ccc3o2)CC1 ZINC000568175952 564407913 /nfs/dbraw/zinc/40/79/13/564407913.db2.gz MNKFMHGNNCXQAU-UHFFFAOYSA-N 1 0 382.302 2.915 20 0 GFADRO O=C(NC[C@@H]1CCC[N@H+]1CCCO)[C@H]1C[C@@H]1c1cccc(Br)c1 ZINC000452351592 564408221 /nfs/dbraw/zinc/40/82/21/564408221.db2.gz QGZPKGRNHSKOKE-BBWFWOEESA-N 1 0 381.314 2.516 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)[C@H](C)[NH+]1CC(C)C1 ZINC000568192113 564408303 /nfs/dbraw/zinc/40/83/03/564408303.db2.gz CCGKKWXWJYKGOW-ZDUSSCGKSA-N 1 0 382.302 2.543 20 0 GFADRO CN(C(=O)c1cc(Br)cnc1OCC1CC1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000512676594 564408817 /nfs/dbraw/zinc/40/88/17/564408817.db2.gz CBLCPLXTFJRZRS-OAHLLOKOSA-N 1 0 394.313 2.942 20 0 GFADRO CC(=O)c1cc(Br)ccc1OCC(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000512677246 564408862 /nfs/dbraw/zinc/40/88/62/564408862.db2.gz HYOVWVZROQUFFS-HNNXBMFYSA-N 1 0 395.297 2.726 20 0 GFADRO CN(C)C1(C[NH2+]C[C@@H](O)COc2cc(F)cc(Br)c2)CCCC1 ZINC000568254497 564411368 /nfs/dbraw/zinc/41/13/68/564411368.db2.gz ASDDNRYDFBDQRB-OAHLLOKOSA-N 1 0 389.309 2.792 20 0 GFADRO O=C(N[C@H]1CCC[N@@H+](CCCO)C1)c1cc(F)c(Br)c(Cl)c1 ZINC000452382432 564411482 /nfs/dbraw/zinc/41/14/82/564411482.db2.gz LZHWPSYVWGRMNS-NSHDSACASA-N 1 0 393.684 2.818 20 0 GFADRO O=C(NC[C@@H]1CCCC[N@H+]1CCO)C1(Cc2ccccc2Br)CC1 ZINC000452382978 564411564 /nfs/dbraw/zinc/41/15/64/564411564.db2.gz ZFOBBZUCDYCMIN-INIZCTEOSA-N 1 0 395.341 2.735 20 0 GFADRO O=C(N[C@@H]1CCC[N@@H+](CCCO)C1)c1ccc(Cl)c(Br)c1 ZINC000452386245 564412011 /nfs/dbraw/zinc/41/20/11/564412011.db2.gz WMYJAAJKRJPOBD-GFCCVEGCSA-N 1 0 375.694 2.679 20 0 GFADRO C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NC[C@@H]1CCCC[N@@H+]1CCO ZINC000452394722 564412884 /nfs/dbraw/zinc/41/28/84/564412884.db2.gz VLEDWRFZIJZNHP-OCCSQVGLSA-N 1 0 375.296 2.724 20 0 GFADRO O=c1ccc(Br)cn1CC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000568295353 564413292 /nfs/dbraw/zinc/41/32/92/564413292.db2.gz ZBIGSKMHUWSXLX-CQSZACIVSA-N 1 0 378.226 2.796 20 0 GFADRO Cc1c(Br)cccc1CC(=O)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000478743399 564413976 /nfs/dbraw/zinc/41/39/76/564413976.db2.gz YCOVDUYLVWWHMZ-UHFFFAOYSA-N 1 0 394.357 2.540 20 0 GFADRO Cc1nc(CNC(=O)[C@@H]([NH2+]C2CCOCC2)C(C)C)sc1Br ZINC000452401432 564414798 /nfs/dbraw/zinc/41/47/98/564414798.db2.gz XZWZYQKJWROVOR-ZDUSSCGKSA-N 1 0 390.347 2.623 20 0 GFADRO COC1(C[NH2+]CCNS(=O)(=O)c2cccc(Cl)c2Cl)CCCC1 ZINC000512874545 564415207 /nfs/dbraw/zinc/41/52/07/564415207.db2.gz PVLNLHOIMHKGTG-UHFFFAOYSA-N 1 0 381.325 2.821 20 0 GFADRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)Cc1noc2ccc(Br)cc21 ZINC000568383331 564416249 /nfs/dbraw/zinc/41/62/49/564416249.db2.gz BBGNYGOFSWZMEK-BONVTDFDSA-N 1 0 378.270 2.732 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)c1ncc(Br)cc1Br)C1CC1 ZINC000545382604 564420518 /nfs/dbraw/zinc/42/05/18/564420518.db2.gz AGTOQYAXIVSMIJ-NSHDSACASA-N 1 0 391.107 2.677 20 0 GFADRO COC(=O)C[C@@](C)([NH2+]CCN1CCOC[C@H]1C)c1ccc(Br)cc1 ZINC000513123909 564421101 /nfs/dbraw/zinc/42/11/01/564421101.db2.gz XTPJPTIZYKPGJM-RDTXWAMCSA-N 1 0 399.329 2.538 20 0 GFADRO COc1cccc(CN(CC[NH+](C)C)C(=O)Nc2nc(SC)ns2)c1 ZINC000478986858 564421753 /nfs/dbraw/zinc/42/17/53/564421753.db2.gz HNELMKXWCHWRLE-UHFFFAOYSA-N 1 0 381.527 2.864 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)C(=O)N1CC[C@H](C[N@@H+](C)CC)C1 ZINC000479035705 564422912 /nfs/dbraw/zinc/42/29/12/564422912.db2.gz SLSJTDFZPRPNHJ-CYBMUJFWSA-N 1 0 396.329 2.750 20 0 GFADRO CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)NCCc1c(Cl)cccc1Cl ZINC000479071119 564424007 /nfs/dbraw/zinc/42/40/07/564424007.db2.gz NYESMXLGEKVSOI-ZDUSSCGKSA-N 1 0 386.323 2.643 20 0 GFADRO C[C@H](N[C@@H]1CC[N@H+](C)[C@H](C)C1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000479058399 564424324 /nfs/dbraw/zinc/42/43/24/564424324.db2.gz JLBVCYQSHVTXPN-OUAUKWLOSA-N 1 0 380.341 2.774 20 0 GFADRO CN(Cc1ccc(Cl)s1)C(=O)C[NH2+][C@H]1CCCC[C@H]1N1CCOCC1 ZINC000568588489 564425662 /nfs/dbraw/zinc/42/56/62/564425662.db2.gz HDLSEWKYFAGYLS-JKSUJKDBSA-N 1 0 385.961 2.593 20 0 GFADRO C[C@@H]1C[C@@H](N(C)C(=O)c2ccc(I)c(O)c2)CC[N@@H+]1C ZINC000545506685 564426264 /nfs/dbraw/zinc/42/62/64/564426264.db2.gz VSLWHHFSDQLPHJ-PWSUYJOCSA-N 1 0 388.249 2.552 20 0 GFADRO COCC1(C(=O)N(Cc2cccc(Br)c2)C2CC2)CC[NH2+]CC1 ZINC000568636799 564428044 /nfs/dbraw/zinc/42/80/44/564428044.db2.gz LLPZFBVIWOYDGA-UHFFFAOYSA-N 1 0 381.314 2.956 20 0 GFADRO COc1nc(N2CC[NH+](Cc3ccccc3C)CC2)ncc1Br ZINC000513435666 564429458 /nfs/dbraw/zinc/42/94/58/564429458.db2.gz XFNAHRJBXNPYJD-UHFFFAOYSA-N 1 0 377.286 2.878 20 0 GFADRO C[C@H](NC(=O)C[N@@H+]1CC[C@H](C)C1)c1ccc(Br)cc1OCCCO ZINC000568762770 564433311 /nfs/dbraw/zinc/43/33/11/564433311.db2.gz IVELINXSQDWLOP-KBPBESRZSA-N 1 0 399.329 2.729 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000479311131 564435770 /nfs/dbraw/zinc/43/57/70/564435770.db2.gz FSVMZRWPNMQGMF-GJZGRUSLSA-N 1 0 394.313 2.693 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000479311872 564435786 /nfs/dbraw/zinc/43/57/86/564435786.db2.gz FIRMFODXNJMIKB-HOTGVXAUSA-N 1 0 394.313 2.693 20 0 GFADRO CC[N@@H+]1CC[C@H](CN[C@H](C)c2cc(S(N)(=O)=O)c(Cl)cc2Cl)C1 ZINC000479364951 564437130 /nfs/dbraw/zinc/43/71/30/564437130.db2.gz SJYKHUUGMVSKEH-GHMZBOCLSA-N 1 0 380.341 2.633 20 0 GFADRO CN1CCN([C@H](C[NH2+]Cc2cncc(Br)c2)c2cccs2)CC1 ZINC000545928181 564438530 /nfs/dbraw/zinc/43/85/30/564438530.db2.gz SWJMRKZNRHKLNJ-MRXNPFEDSA-N 1 0 395.370 2.984 20 0 GFADRO CC[C@H]([NH2+][C@H]1CCn2ccnc2C1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000568943670 564441362 /nfs/dbraw/zinc/44/13/62/564441362.db2.gz FHEPXQJWFUSQDJ-ZFWWWQNUSA-N 1 0 382.917 2.500 20 0 GFADRO C[C@]1(CNC(=O)Nc2ccc3nccnc3c2Br)CCC[NH2+]C1 ZINC000568972767 564443428 /nfs/dbraw/zinc/44/34/28/564443428.db2.gz VCSVMFDCEULVSU-INIZCTEOSA-N 1 0 378.274 2.904 20 0 GFADRO O=C1C[C@@H](C[NH2+]Cc2cn(-c3ccc(Cl)cc3Cl)nn2)CN1C1CC1 ZINC000568991307 564444350 /nfs/dbraw/zinc/44/43/50/564444350.db2.gz RUBPFCGIASDXCQ-NSHDSACASA-N 1 0 380.279 2.675 20 0 GFADRO C[C@@H](Cc1cnccn1)[NH2+]CCCNC(=O)c1ccc(Br)cc1 ZINC000453081570 564446007 /nfs/dbraw/zinc/44/60/07/564446007.db2.gz CDNGVCWIXHKSSB-ZDUSSCGKSA-N 1 0 377.286 2.580 20 0 GFADRO C[C@H]([NH2+]CCC(=O)N(C)Cc1ccccc1Br)c1ccncn1 ZINC000453119070 564446463 /nfs/dbraw/zinc/44/64/63/564446463.db2.gz VYJLXSDZMTYIRL-ZDUSSCGKSA-N 1 0 377.286 2.938 20 0 GFADRO CCOC(=O)[C@H](C)[C@H](C)[NH2+]CC(=O)N[C@H](C)c1ccc(Br)cc1 ZINC000514244102 564447475 /nfs/dbraw/zinc/44/74/75/564447475.db2.gz CGXZUBQZBTXITQ-FRRDWIJNSA-N 1 0 385.302 2.804 20 0 GFADRO Cc1cc(Br)ccc1C(=O)N1CCC([NH2+][C@H](CO)C(C)C)CC1 ZINC000546164261 564448030 /nfs/dbraw/zinc/44/80/30/564448030.db2.gz DWZWWRFLROJQOM-QGZVFWFLSA-N 1 0 383.330 2.969 20 0 GFADRO C[NH+](C)Cc1ccnc(NC(=O)c2ccc(I)c(O)c2)c1 ZINC000546193326 564449102 /nfs/dbraw/zinc/44/91/02/564449102.db2.gz RGADPDVOWJTBHZ-UHFFFAOYSA-N 1 0 397.216 2.706 20 0 GFADRO O=C(Nc1ncc(Cc2ccc(Br)cc2)s1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000569212103 564453453 /nfs/dbraw/zinc/45/34/53/564453453.db2.gz WPILZYPVWMYAEK-WDNDVIMCSA-N 1 0 393.310 2.836 20 0 GFADRO C[C@@H]([NH2+]CCC[C@@H]1CCOC1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000453337268 564454113 /nfs/dbraw/zinc/45/41/13/564454113.db2.gz AUWUPUNMOGMOPP-VXGBXAGGSA-N 1 0 391.331 2.564 20 0 GFADRO CCO[C@@H]1COC[C@H]1[NH2+][C@H](C)c1ccc(F)c(I)c1 ZINC000453357699 564454969 /nfs/dbraw/zinc/45/49/69/564454969.db2.gz NLOUHZNJXLPILW-OWYVNGRQSA-N 1 0 379.213 2.885 20 0 GFADRO C[C@@H](CCc1ccc(I)cc1)[NH2+]C[C@@]1(C)CCC(=O)N1 ZINC000453434945 564456756 /nfs/dbraw/zinc/45/67/56/564456756.db2.gz TXNUNCQDEXUBJG-BLLLJJGKSA-N 1 0 386.277 2.871 20 0 GFADRO COc1cc(Br)c(CNC(=O)C[C@H]2CCCC[C@H]2[NH3+])cc1OC ZINC000569335367 564459163 /nfs/dbraw/zinc/45/91/63/564459163.db2.gz QIGSOHBZNJIIAO-BXUZGUMPSA-N 1 0 385.302 2.990 20 0 GFADRO C[C@H](NC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1)c1ccc([S@](C)=O)cc1 ZINC000569376584 564460787 /nfs/dbraw/zinc/46/07/87/564460787.db2.gz AQWZGUVLCQSVIJ-AXUAAXHCSA-N 1 0 380.579 2.819 20 0 GFADRO C[NH2+]C[C@@H]1CCN(C(=O)CSc2nccn2-c2cccc(Cl)c2C)C1 ZINC000514868958 564461281 /nfs/dbraw/zinc/46/12/81/564461281.db2.gz DQPSFVKWCYZNDD-AWEZNQCLSA-N 1 0 378.929 2.994 20 0 GFADRO CN(Cc1cn(-c2ccccc2Br)nn1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000569399227 564461923 /nfs/dbraw/zinc/46/19/23/564461923.db2.gz KOABZXJJWSSWKV-HNNXBMFYSA-N 1 0 376.302 2.698 20 0 GFADRO Cc1cc(S(=O)(=O)NCC[NH2+][C@@H]2CCC[C@@H]([C@@H]3CCOC3)C2)c(C)s1 ZINC000546654457 564464239 /nfs/dbraw/zinc/46/42/39/564464239.db2.gz PJCKZJKIBZSUAE-BRWVUGGUSA-N 1 0 386.583 2.828 20 0 GFADRO CC(C)[N@@H+]1CC[C@H](CNC(=O)c2ccc(I)cc2F)C1 ZINC000514992188 564464885 /nfs/dbraw/zinc/46/48/85/564464885.db2.gz LAZBANZIKDIACK-LLVKDONJSA-N 1 0 390.240 2.890 20 0 GFADRO CC[N@H+](CCN[C@@H]1CCS(=O)(=O)c2ccc(Br)cc21)C(C)C ZINC000480229299 564464944 /nfs/dbraw/zinc/46/49/44/564464944.db2.gz PREKWODQVQLIDY-OAHLLOKOSA-N 1 0 389.359 2.988 20 0 GFADRO CCc1nncn1CC[NH2+][C@@H](C)CC(=O)Nc1cccc(Br)c1 ZINC000546678843 564464995 /nfs/dbraw/zinc/46/49/95/564464995.db2.gz OFQQEXIZNKICDH-LBPRGKRZSA-N 1 0 380.290 2.610 20 0 GFADRO CCN(CC)CC[NH2+][C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000480331347 564468475 /nfs/dbraw/zinc/46/84/75/564468475.db2.gz UQCJVVLOCYGFRW-CQSZACIVSA-N 1 0 375.332 2.599 20 0 GFADRO CO[C@H](C)[C@@H](C)[NH2+][C@H](C)C(=O)Nc1ccc(I)cc1 ZINC000515173363 564471806 /nfs/dbraw/zinc/47/18/06/564471806.db2.gz ZMXLVGBYXGDBTR-GMTAPVOTSA-N 1 0 376.238 2.631 20 0 GFADRO COc1ccc(S(=O)(=O)NCC[NH+]2CCCCCC2)c(Br)c1 ZINC000480455661 564474313 /nfs/dbraw/zinc/47/43/13/564474313.db2.gz VLGYXCBIRSYBJV-UHFFFAOYSA-N 1 0 391.331 2.612 20 0 GFADRO [NH3+][C@H]1CCCO[C@@H]1C1CCN(C(=O)COc2ccccc2Br)CC1 ZINC000569712811 564475094 /nfs/dbraw/zinc/47/50/94/564475094.db2.gz NXFZUEQHEQYALL-MAUKXSAKSA-N 1 0 397.313 2.573 20 0 GFADRO COC(=O)c1cn([C@@H]2CC[N@H+](C[C@H](C)c3cccc(Br)c3)C2)nn1 ZINC000546972597 564476009 /nfs/dbraw/zinc/47/60/09/564476009.db2.gz NHDFLSDISJIFMG-SWLSCSKDSA-N 1 0 393.285 2.878 20 0 GFADRO Cc1c(Br)cccc1CC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C ZINC000480514885 564476630 /nfs/dbraw/zinc/47/66/30/564476630.db2.gz VMDRWQCNUOGIQH-CYBMUJFWSA-N 1 0 383.330 2.604 20 0 GFADRO C[C@@H]1CN(C[C@H](O)C[NH2+]CC(C)(C)c2cccc(Br)c2)C[C@@H](C)O1 ZINC000515414560 564478291 /nfs/dbraw/zinc/47/82/91/564478291.db2.gz JMCYTIGGDHINOJ-IIDMSEBBSA-N 1 0 399.373 2.786 20 0 GFADRO O[C@H](C[NH2+]CCc1ccc(I)s1)CC(F)(F)F ZINC000515414688 564478634 /nfs/dbraw/zinc/47/86/34/564478634.db2.gz MAWOSRISXNXEQE-ZETCQYMHSA-N 1 0 379.185 2.798 20 0 GFADRO COC(=O)c1cc(C[NH2+]CC(=O)Nc2ccc(Br)c(C)c2)cn1C ZINC000515479534 564480102 /nfs/dbraw/zinc/48/01/02/564480102.db2.gz SIPBBHDXWWHRNV-UHFFFAOYSA-N 1 0 394.269 2.611 20 0 GFADRO Ic1cccc2ncnc(NCC[NH+]3CCCCC3)c12 ZINC000547277164 564481542 /nfs/dbraw/zinc/48/15/42/564481542.db2.gz VICRQRGVXSHHMZ-UHFFFAOYSA-N 1 0 382.249 3.132 20 0 GFADRO C[NH+]1CCC(C)(CNC(=O)NCc2cc(Br)cc3c2OCC3)CC1 ZINC000547325240 564484312 /nfs/dbraw/zinc/48/43/12/564484312.db2.gz UJVPRLVVAFQHQT-UHFFFAOYSA-N 1 0 396.329 2.915 20 0 GFADRO CC1(C)C[C@H]([NH2+][C@H]2CCN(S(C)(=O)=O)C2)c2cc(Br)ccc21 ZINC000570050693 564489664 /nfs/dbraw/zinc/48/96/64/564489664.db2.gz KYUGWLMIZPUEIB-WFASDCNBSA-N 1 0 387.343 2.795 20 0 GFADRO Cc1cc(Br)cc(C)c1S(=O)(=O)N[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000480836099 564489762 /nfs/dbraw/zinc/48/97/62/564489762.db2.gz GMIDUOBGBUNIHU-DOMZBBRYSA-N 1 0 387.343 2.827 20 0 GFADRO COC[C@]1(CNC(=O)c2cc(Cl)cc(F)c2Br)CCC[NH2+]1 ZINC000570079336 564490473 /nfs/dbraw/zinc/49/04/73/564490473.db2.gz GULPRBCPKADXCV-CQSZACIVSA-N 1 0 379.657 2.740 20 0 GFADRO Cc1cc(S(=O)(=O)N[C@H]2C[N@H+](C3CC3)C[C@@H]2C)c(C)cc1Br ZINC000480868156 564492308 /nfs/dbraw/zinc/49/23/08/564492308.db2.gz HXKXSDGZUIJOSC-WFASDCNBSA-N 1 0 387.343 2.827 20 0 GFADRO C[C@@]1(CNC(=O)C2CCN(C(=O)c3ccc(Cl)s3)CC2)CCC[NH2+]C1 ZINC000516048379 564492481 /nfs/dbraw/zinc/49/24/81/564492481.db2.gz KMHWTDCOKOPPMC-GOSISDBHSA-N 1 0 383.945 2.760 20 0 GFADRO CC(C)[N@H+](C)C[C@H](C)NC(=O)C(=O)Nc1cc2c(cc1Br)CCC2 ZINC000570151820 564493075 /nfs/dbraw/zinc/49/30/75/564493075.db2.gz PUVSQXHBJNHWMD-LBPRGKRZSA-N 1 0 396.329 2.721 20 0 GFADRO C[NH+](C)CCN(C1CCCCC1)S(=O)(=O)c1ccc(C(F)(F)F)cn1 ZINC000480987398 564499239 /nfs/dbraw/zinc/49/92/39/564499239.db2.gz LQDAIOQXJJEXEB-UHFFFAOYSA-N 1 0 379.448 2.985 20 0 GFADRO C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+]CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl ZINC000481099572 564503432 /nfs/dbraw/zinc/50/34/32/564503432.db2.gz AVDJMMRURXGHSM-RISCZKNCSA-N 1 0 387.933 2.730 20 0 GFADRO CO[C@@H]1CCN(C(=O)Nc2cc(Br)cc3nc(C)oc32)[C@H](C[NH3+])C1 ZINC000516551474 564505099 /nfs/dbraw/zinc/50/50/99/564505099.db2.gz RRARYVMBTBZEIG-NWDGAFQWSA-N 1 0 397.273 2.869 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)NCc1nn(C)cc1Br ZINC000454314275 564505886 /nfs/dbraw/zinc/50/58/86/564505886.db2.gz DSCUABMTTARIMZ-CYBMUJFWSA-N 1 0 386.338 2.636 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)CCOc2ccc(Cl)c(Cl)c2)CC12CCOCC2 ZINC000570452298 564506200 /nfs/dbraw/zinc/50/62/00/564506200.db2.gz NNCUXHVINNFRLC-CYBMUJFWSA-N 1 0 387.307 2.976 20 0 GFADRO O=C1[C@H]([NH2+]C[C@H](O)COCc2cccs2)CCN1c1ccc(Cl)cc1 ZINC000570508797 564509135 /nfs/dbraw/zinc/50/91/35/564509135.db2.gz LPVDTCWPOFEOCP-DOTOQJQBSA-N 1 0 380.897 2.674 20 0 GFADRO CCO[C@@H]1C[C@H]([NH2+]Cc2cc(=O)n3cc(Br)ccc3n2)C12CCC2 ZINC000516714577 564510661 /nfs/dbraw/zinc/51/06/61/564510661.db2.gz JXRJBHALCCHEGE-LSDHHAIUSA-N 1 0 392.297 2.894 20 0 GFADRO C[C@@H]1CN(C[C@@H](O)C[NH2+][C@H]2C[C@H](c3ccc(Br)cc3)C2)C[C@H](C)O1 ZINC000516762717 564511568 /nfs/dbraw/zinc/51/15/68/564511568.db2.gz KZZJVDAGBLXMPM-NNYOOSKESA-N 1 0 397.357 2.755 20 0 GFADRO CCC[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl ZINC000547833084 564512288 /nfs/dbraw/zinc/51/22/88/564512288.db2.gz WLVKKGNTGYWOTH-DOMZBBRYSA-N 1 0 387.933 2.874 20 0 GFADRO COc1c[nH+]ccc1N1CCN(S(=O)(=O)c2ccc(Cl)cc2C)CC1 ZINC000481494065 564514467 /nfs/dbraw/zinc/51/44/67/564514467.db2.gz OQDSJIGTBKYCBW-UHFFFAOYSA-N 1 0 381.885 2.563 20 0 GFADRO O=C(CCC[S@](=O)c1ccc(Br)cc1)NCC[C@H]1CCC[NH2+]1 ZINC000516866404 564514621 /nfs/dbraw/zinc/51/46/21/564514621.db2.gz VNFPSKARDLDZEI-PEBXRYMYSA-N 1 0 387.343 2.595 20 0 GFADRO [NH3+]CCC1CCN(C(=O)NCCC(=O)Nc2ccc(Br)cc2)CC1 ZINC000570638036 564515281 /nfs/dbraw/zinc/51/52/81/564515281.db2.gz IUDXOYPHZBTSBZ-UHFFFAOYSA-N 1 0 397.317 2.548 20 0 GFADRO O=C(Nc1cc(Cl)cc(Cl)c1)[C@H]1CCCN1C(=O)NC[C@H]1CCC[NH2+]1 ZINC000516916672 564516334 /nfs/dbraw/zinc/51/63/34/564516334.db2.gz HYOZVNGHZVEOQD-UKRRQHHQSA-N 1 0 385.295 2.858 20 0 GFADRO C[C@H](CNC(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1)Oc1ccccc1Br ZINC000454629053 564516758 /nfs/dbraw/zinc/51/67/58/564516758.db2.gz XNQXLGGSPRCVCK-VNHYZAJKSA-N 1 0 382.302 2.562 20 0 GFADRO CCOC(=O)c1cc(Cl)cc(S(=O)(=O)NCC2CC[NH+](CC)CC2)c1 ZINC000516946013 564517696 /nfs/dbraw/zinc/51/76/96/564517696.db2.gz WVZQRCKKFRNKKY-UHFFFAOYSA-N 1 0 388.917 2.527 20 0 GFADRO COC(=O)C(C)(C)CC[NH2+]Cc1cc(C(F)(F)F)cc(S(C)(=O)=O)c1 ZINC000570705009 564517977 /nfs/dbraw/zinc/51/79/77/564517977.db2.gz KPZNQPIGQCGBMD-UHFFFAOYSA-N 1 0 381.416 2.788 20 0 GFADRO CC[C@H]([NH2+][C@@H]1CN(C2CC2)C[C@@H]1C)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000481665782 564518581 /nfs/dbraw/zinc/51/85/81/564518581.db2.gz DJNPDPTZQCEIOI-AFAVFJNCSA-N 1 0 385.961 2.772 20 0 GFADRO CC[C@H]([NH2+][C@H]1C[C@H](C)N(C2CC2)C1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000481649469 564518845 /nfs/dbraw/zinc/51/88/45/564518845.db2.gz FIKUOCJMVBQUDM-JDFRZJQESA-N 1 0 385.961 2.914 20 0 GFADRO C[NH+](C)[C@@]1(CNC(=O)NCCCc2nc3c(s2)CCCC3)CCSC1 ZINC000481692172 564519729 /nfs/dbraw/zinc/51/97/29/564519729.db2.gz PMIQINOTZCFVII-GOSISDBHSA-N 1 0 382.599 2.691 20 0 GFADRO COc1cc(I)c(Cl)cc1C[NH2+][C@@H]1CN(C)C[C@@H]1C ZINC000481734375 564521567 /nfs/dbraw/zinc/52/15/67/564521567.db2.gz WFZPKCZBTQEQET-TVQRCGJNSA-N 1 0 394.684 2.993 20 0 GFADRO O=C(C1CCC([NH2+][C@@H]2CCO[C@@H](C(F)(F)F)C2)CC1)N1CCSCC1 ZINC000517036319 564522793 /nfs/dbraw/zinc/52/27/93/564522793.db2.gz CIAIIYLWLJITDK-NEXFUWMNSA-N 1 0 380.476 2.820 20 0 GFADRO C[N@@H+]1CCC[C@@H]2CN(S(=O)(=O)c3cccc4c(Cl)ccnc43)CC[C@@H]21 ZINC000517072421 564523298 /nfs/dbraw/zinc/52/32/98/564523298.db2.gz FFNPICZMFILSMA-CJNGLKHVSA-N 1 0 379.913 2.993 20 0 GFADRO OC[C@H](C[NH2+]Cc1cn(-c2cccc(Cl)c2Cl)nn1)c1cccnc1 ZINC000570846713 564524670 /nfs/dbraw/zinc/52/46/70/564524670.db2.gz GAIYXSDENYTYLR-ZDUSSCGKSA-N 1 0 378.263 2.835 20 0 GFADRO COC[C@]1(CNC(=O)[C@H]2C[C@@]23CCc2cc(Br)ccc23)CCC[NH2+]1 ZINC000517125967 564525459 /nfs/dbraw/zinc/52/54/59/564525459.db2.gz BROWXBHZLOWKEW-BHIYHBOVSA-N 1 0 393.325 2.538 20 0 GFADRO CC(C)(C)[NH+]1CCC(NC(=O)c2ccc(I)cn2)CC1 ZINC000454899059 564526741 /nfs/dbraw/zinc/52/67/41/564526741.db2.gz SLSYAKPVIRMZCY-UHFFFAOYSA-N 1 0 387.265 2.679 20 0 GFADRO CC(C)[N@H+](C)C[C@H](C)NC(=O)NCCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000454972665 564530234 /nfs/dbraw/zinc/53/02/34/564530234.db2.gz LNTAKWGKGIQKHG-AWEZNQCLSA-N 1 0 389.949 2.532 20 0 GFADRO CC(C)(CNC(=O)C(=O)NCc1c(Cl)cccc1Cl)[NH+]1CCCCC1 ZINC000570989853 564530585 /nfs/dbraw/zinc/53/05/85/564530585.db2.gz QOYIGVKMQKKJMZ-UHFFFAOYSA-N 1 0 386.323 2.990 20 0 GFADRO CC(C)(C)[C@@H](C[NH3+])NS(=O)(=O)Cc1cc(Cl)ccc1Br ZINC000571045823 564533469 /nfs/dbraw/zinc/53/34/69/564533469.db2.gz JSFRYKBFNGVOKY-GFCCVEGCSA-N 1 0 383.739 2.895 20 0 GFADRO C[C@H](NC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1)c1cc(F)c(Cl)cc1Cl ZINC000571160724 564537874 /nfs/dbraw/zinc/53/78/74/564537874.db2.gz UASXUWOGXBCXGD-XPTSAGLGSA-N 1 0 376.259 2.568 20 0 GFADRO COc1cc(C(=O)N(C)[C@H]2CC[N@@H+](C3CC3)C2)cc(OC)c1Br ZINC000517647460 564538491 /nfs/dbraw/zinc/53/84/91/564538491.db2.gz HBDKFKUUBAYESI-ZDUSSCGKSA-N 1 0 383.286 2.775 20 0 GFADRO Cc1cc(Br)c(NC(=O)NC[C@@H]2C[NH2+]CCCO2)cc1Cl ZINC000571180621 564538922 /nfs/dbraw/zinc/53/89/22/564538922.db2.gz NBUQMQUPOKPUAF-JTQLQIEISA-N 1 0 376.682 2.911 20 0 GFADRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(I)cn2)C1 ZINC000455166380 564539829 /nfs/dbraw/zinc/53/98/29/564539829.db2.gz TVGPVJLTYXWXMF-LBPRGKRZSA-N 1 0 387.265 2.536 20 0 GFADRO O=C(NCC[C@@H]1CCC[NH2+]C1)N[C@@H]1CCN(c2ccccc2Br)C1 ZINC000517719367 564540277 /nfs/dbraw/zinc/54/02/77/564540277.db2.gz JLUDQYIPNHACTH-LSDHHAIUSA-N 1 0 395.345 2.717 20 0 GFADRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cc(Br)c2c(c1)OCCO2 ZINC000517713821 564540384 /nfs/dbraw/zinc/54/03/84/564540384.db2.gz GVRSHILAJQKFTG-CYBMUJFWSA-N 1 0 383.286 2.825 20 0 GFADRO Cc1nc(-c2ccc(CNC(=O)NCCN3CCOC[C@H]3C)s2)cs1 ZINC000517885790 564543250 /nfs/dbraw/zinc/54/32/50/564543250.db2.gz KQAZFHRVDBLCHA-GFCCVEGCSA-N 1 0 380.539 2.700 20 0 GFADRO O[C@H](C[NH2+][C@H]1CCN(c2ncccc2Cl)C1)COc1ccccc1Cl ZINC000571277259 564543736 /nfs/dbraw/zinc/54/37/36/564543736.db2.gz DQLUGAOCLFBCSU-UONOGXRCSA-N 1 0 382.291 2.997 20 0 GFADRO C[C@@H](NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1ccc(F)cc1Br ZINC000482550595 564545282 /nfs/dbraw/zinc/54/52/82/564545282.db2.gz JNOWXLLDUFFLLP-CHWSQXEVSA-N 1 0 386.309 2.826 20 0 GFADRO C[C@@H](NC(=O)NC[C@H](c1ccsc1)[NH+](C)C)c1ncc(Br)cn1 ZINC000571311450 564545828 /nfs/dbraw/zinc/54/58/28/564545828.db2.gz JZKYTRJWSPZYRT-ZWNOBZJWSA-N 1 0 398.330 2.964 20 0 GFADRO O=C(NC[C@@H]1CCCC[N@H+]1CCO)Nc1cc(F)cc(Br)c1F ZINC000455301800 564547802 /nfs/dbraw/zinc/54/78/02/564547802.db2.gz ORUYTXSPKHNCDY-NSHDSACASA-N 1 0 392.244 2.696 20 0 GFADRO CO[C@H]1CCN(C(=O)CCCOc2ccccc2Br)[C@@H](C[NH3+])C1 ZINC000571432037 564550841 /nfs/dbraw/zinc/55/08/41/564550841.db2.gz BNYDJNRREIWCMO-KGLIPLIRSA-N 1 0 385.302 2.573 20 0 GFADRO CC[C@](C)([NH2+]CCOc1c(Br)cccc1Br)C(N)=O ZINC000482807853 564551085 /nfs/dbraw/zinc/55/10/85/564551085.db2.gz BCEAZSHWTQCDRC-ZDUSSCGKSA-N 1 0 394.107 2.834 20 0 GFADRO COCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](Cc2cc(F)cc(Br)c2)C1 ZINC000482838774 564551851 /nfs/dbraw/zinc/55/18/51/564551851.db2.gz SZLPYFXJMJLVDL-TZMCWYRMSA-N 1 0 387.293 2.951 20 0 GFADRO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)Nc1ccc(C(F)(F)F)cc1Br ZINC000571444193 564551956 /nfs/dbraw/zinc/55/19/56/564551956.db2.gz ISQZZEQJEKVITC-YUMQZZPRSA-N 1 0 396.207 2.648 20 0 GFADRO C[C@@H](CNC(=O)N1CCO[C@@H](c2ccc(F)c(Br)c2)C1)[NH+](C)C ZINC000455436408 564554184 /nfs/dbraw/zinc/55/41/84/564554184.db2.gz USGANIUUGVJKSB-XHDPSFHLSA-N 1 0 388.281 2.621 20 0 GFADRO C[C@H]1CN(CC[NH2+]Cc2nc(-c3cccc(Br)c3)c[nH]2)CCO1 ZINC000518453702 564554557 /nfs/dbraw/zinc/55/45/57/564554557.db2.gz WKLGPRZDDXCOIC-ZDUSSCGKSA-N 1 0 379.302 2.650 20 0 GFADRO O=C1CCCCN1CCC[NH2+]C[C@@H](O)COc1cc(Cl)ccc1Cl ZINC000571515992 564554779 /nfs/dbraw/zinc/55/47/79/564554779.db2.gz FYPKZFUGBQPNQY-CQSZACIVSA-N 1 0 375.296 2.725 20 0 GFADRO Cc1c(Br)ccnc1NC(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000518496422 564554881 /nfs/dbraw/zinc/55/48/81/564554881.db2.gz BEGKSBMQBINAQR-AWEZNQCLSA-N 1 0 397.317 2.729 20 0 GFADRO CC[N@@H+](CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1)CC1CCC1 ZINC000483131063 564559055 /nfs/dbraw/zinc/55/90/55/564559055.db2.gz PXZLDZXAFSVWAT-UHFFFAOYSA-N 1 0 387.933 2.651 20 0 GFADRO Cc1cc(NC(=O)NC[C@@H]2CC[N@@H+](C)C2)nn1-c1ccc(Cl)c(Cl)c1 ZINC000571615771 564559192 /nfs/dbraw/zinc/55/91/92/564559192.db2.gz DVKDOQOOHZXBQP-LBPRGKRZSA-N 1 0 382.295 3.561 20 0 GFADRO Cc1nn(-c2ccc(C(=O)NCCC[NH+](C)C)cc2)c(C)c1Br ZINC000518728113 564560625 /nfs/dbraw/zinc/56/06/25/564560625.db2.gz MCSUPPVEYFETEX-UHFFFAOYSA-N 1 0 379.302 2.933 20 0 GFADRO C[NH+](C)CC(C)(C)NC(=O)Nc1ccn(-c2ccc(Br)cc2)n1 ZINC000455654333 564563737 /nfs/dbraw/zinc/56/37/37/564563737.db2.gz ZPHPTRFLGVPOQV-UHFFFAOYSA-N 1 0 380.290 3.097 20 0 GFADRO O=C(CC[NH2+]C[C@H]1CCCCS1(=O)=O)Nc1cccc(C(F)(F)F)c1 ZINC000571791502 564567122 /nfs/dbraw/zinc/56/71/22/564567122.db2.gz WUOFSPBHASOBLC-CQSZACIVSA-N 1 0 378.416 2.591 20 0 GFADRO COc1cc(C)c(Br)cc1C(=O)NCCCC[N@@H+]1CCC[C@@H]1CO ZINC000571813969 564568051 /nfs/dbraw/zinc/56/80/51/564568051.db2.gz XGUFMTQHGKVCGG-CQSZACIVSA-N 1 0 399.329 2.733 20 0 GFADRO O=C(CC[N@@H+](CCO)Cc1cc(Br)ccc1F)Nc1cccnc1 ZINC000483591690 564571091 /nfs/dbraw/zinc/57/10/91/564571091.db2.gz KBTKZHYVSKPMLA-UHFFFAOYSA-N 1 0 396.260 2.806 20 0 GFADRO C[C@@H]([NH2+]C1CC1)C(=O)NCC1(c2cccc(Br)c2)CCOCC1 ZINC000571915904 564572909 /nfs/dbraw/zinc/57/29/09/564572909.db2.gz OOKYAUGWXYBEGK-CYBMUJFWSA-N 1 0 381.314 2.754 20 0 GFADRO O=S1(=O)CC[C@H]([NH2+][C@@H](CO)C2CCCC2)c2cc(Br)ccc21 ZINC000571963742 564574600 /nfs/dbraw/zinc/57/46/00/564574600.db2.gz SJTLLQQCVBDTSS-GJZGRUSLSA-N 1 0 388.327 2.808 20 0 GFADRO Cc1ccc(F)c(NC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c1Br ZINC000571972397 564575369 /nfs/dbraw/zinc/57/53/69/564575369.db2.gz MWIOQBVNZWZMBJ-NEPJUHHUSA-N 1 0 398.276 2.530 20 0 GFADRO CN(CCC[NH+](C)C)C(=O)C1(c2ccc(I)cc2)CC1 ZINC000548803294 564575911 /nfs/dbraw/zinc/57/59/11/564575911.db2.gz LQAZADOLEDBGEL-UHFFFAOYSA-N 1 0 386.277 2.733 20 0 GFADRO CCC[N@H+](C)CC(=O)N1CCN(Cc2ccc(Br)c(F)c2)CC1 ZINC000483879896 564576613 /nfs/dbraw/zinc/57/66/13/564576613.db2.gz OIDZFBIWDXPNIF-UHFFFAOYSA-N 1 0 386.309 2.574 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cc2sc(C)nc2cc1Cl ZINC000483929778 564578309 /nfs/dbraw/zinc/57/83/09/564578309.db2.gz ONEKQGHSUVAQRB-NSHDSACASA-N 1 0 380.901 2.797 20 0 GFADRO C[C@H](CNC(=O)N1CC[N@H+](C)CC[C@@H]1C)Oc1ccccc1Br ZINC000483983328 564580135 /nfs/dbraw/zinc/58/01/35/564580135.db2.gz RHIGFNHGMMNAJP-UONOGXRCSA-N 1 0 384.318 2.952 20 0 GFADRO Cc1ncc2c(n1)CC[C@@H]([NH2+]C[C@H](O)COc1c(Cl)cccc1Cl)C2 ZINC000519540847 564581036 /nfs/dbraw/zinc/58/10/36/564581036.db2.gz NJYARYOGHFGHAO-KGLIPLIRSA-N 1 0 382.291 2.979 20 0 GFADRO COCCN(Cc1sccc1Br)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000519634413 564585248 /nfs/dbraw/zinc/58/52/48/564585248.db2.gz JUGVWBYRUBYBSW-LBPRGKRZSA-N 1 0 390.347 2.811 20 0 GFADRO CSC1(CNC(=O)Cn2nc(C(F)(F)F)c(Cl)c2C)CC[NH+](C)CC1 ZINC000519673668 564585829 /nfs/dbraw/zinc/58/58/29/564585829.db2.gz HNVXITILHYDSEK-UHFFFAOYSA-N 1 0 398.882 2.807 20 0 GFADRO COc1ccc(Br)c([C@@H](CO)N(C)C(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)c1 ZINC000456102689 564588461 /nfs/dbraw/zinc/58/84/61/564588461.db2.gz GIAARIQFKRGZRS-IIYDPXPESA-N 1 0 399.329 2.822 20 0 GFADRO C[C@H]([NH3+])C[C@H](C)NC(=O)Nc1ccc(-c2ccc(Br)s2)nn1 ZINC000572363241 564591067 /nfs/dbraw/zinc/59/10/67/564591067.db2.gz QFORWOPPZHAQMK-IUCAKERBSA-N 1 0 384.303 3.215 20 0 GFADRO C[C@H](C[C@H](C)[NH3+])NC(=O)Nc1ccc(-c2ccc(Br)s2)nn1 ZINC000572363240 564591647 /nfs/dbraw/zinc/59/16/47/564591647.db2.gz QFORWOPPZHAQMK-DTWKUNHWSA-N 1 0 384.303 3.215 20 0 GFADRO Cc1sc2ncnc(SCCC(=O)N3C[C@H]4CC[N@@H+](C)[C@H]4C3)c2c1C ZINC000456171434 564591723 /nfs/dbraw/zinc/59/17/23/564591723.db2.gz QZXHTZDCBKZJIC-KGLIPLIRSA-N 1 0 376.551 2.953 20 0 GFADRO CSCC[C@H](CO)[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000519822797 564592207 /nfs/dbraw/zinc/59/22/07/564592207.db2.gz DRYPKYADPVWDET-VXGBXAGGSA-N 1 0 398.750 2.546 20 0 GFADRO CCO[C@@H]1COCC[C@@H]1[NH2+]CC(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000484625422 564593026 /nfs/dbraw/zinc/59/30/26/564593026.db2.gz VZDZUDJZRZHDIL-GXTWGEPZSA-N 1 0 378.803 2.664 20 0 GFADRO Cc1c(S(=O)(=O)NCCC[C@H]2CCC[NH2+]2)cnn1-c1ccc(Cl)cc1 ZINC000519829895 564593259 /nfs/dbraw/zinc/59/32/59/564593259.db2.gz VCJWGEZUEYMUAG-OAHLLOKOSA-N 1 0 382.917 2.645 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)c2cc(F)c(F)cc2Br)CC12CCOCC2 ZINC000572402347 564593255 /nfs/dbraw/zinc/59/32/55/564593255.db2.gz HNGOENJJGJWXHG-SNVBAGLBSA-N 1 0 389.240 2.555 20 0 GFADRO CC[C@H](C)[N@H+](CCO)C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000572390498 564593585 /nfs/dbraw/zinc/59/35/85/564593585.db2.gz KBQJKTPZDGVJEF-WCQYABFASA-N 1 0 380.710 2.935 20 0 GFADRO CS[C@H]1CN(CCCS(=O)(=O)c2ccc(F)cc2)C[C@@H]1[NH+]1CCCC1 ZINC000484641660 564593860 /nfs/dbraw/zinc/59/38/60/564593860.db2.gz QTUIWPUJTFTBFP-ROUUACIJSA-N 1 0 386.558 2.501 20 0 GFADRO Cc1cc(OC[C@@H](O)C[NH2+][C@@H]2CS(=O)(=O)C[C@@H]2C)c(C(C)C)cc1Cl ZINC000572476847 564595850 /nfs/dbraw/zinc/59/58/50/564595850.db2.gz OFOMWGJNIWEPRX-GRDNDAEWSA-N 1 0 389.945 2.534 20 0 GFADRO COc1ccc(Br)cc1C(=O)CCC(=O)N[C@@H]1[C@H](C)CC[NH2+][C@H]1C ZINC000572525980 564598972 /nfs/dbraw/zinc/59/89/72/564598972.db2.gz XBCGJFLKTIEGJE-FTLABTOESA-N 1 0 397.313 2.923 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)C(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000484847150 564600716 /nfs/dbraw/zinc/60/07/16/564600716.db2.gz RTYGRGSFGSFMLJ-UHFFFAOYSA-N 1 0 396.329 2.934 20 0 GFADRO CN1CC[NH+](CCCCNC(=O)CCOc2ccc(Cl)cc2Cl)CC1 ZINC000520362881 564602630 /nfs/dbraw/zinc/60/26/30/564602630.db2.gz HASABMPIBMPYBJ-UHFFFAOYSA-N 1 0 388.339 2.906 20 0 GFADRO CC(C)OCC(=O)Nc1cc(Br)ccc1N1CC[N@H+](C)C[C@@H]1C ZINC000456365394 564604025 /nfs/dbraw/zinc/60/40/25/564604025.db2.gz HXILCTQLPOZKTP-ZDUSSCGKSA-N 1 0 384.318 2.953 20 0 GFADRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1c1nnc(-c2cc(Br)c[nH]2)n1C ZINC000520557482 564607380 /nfs/dbraw/zinc/60/73/80/564607380.db2.gz QWXQIFWXWXNSPH-YPMHNXCESA-N 1 0 379.306 2.636 20 0 GFADRO CC[C@H]1Cc2c(Br)cccc2CN1C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000572739893 564608031 /nfs/dbraw/zinc/60/80/31/564608031.db2.gz MSFXWJWUSJKLAZ-LSDHHAIUSA-N 1 0 396.329 2.674 20 0 GFADRO COCC[N@@H+]1CC[C@@H](NC(=O)c2cc(C)nc3cc(Br)ccc32)C1 ZINC000520766002 564612159 /nfs/dbraw/zinc/61/21/59/564612159.db2.gz DXPUCGADGNZRMI-CQSZACIVSA-N 1 0 392.297 2.756 20 0 GFADRO O=S(=O)(c1ccc2ccccc2c1Br)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000572841821 564613073 /nfs/dbraw/zinc/61/30/73/564613073.db2.gz FEUDKQSIFGDOPC-KGLIPLIRSA-N 1 0 395.322 2.832 20 0 GFADRO C[C@H](C(=O)N(CCn1ccnc1)Cc1ccccc1Br)C1C[NH2+]C1 ZINC000572876529 564613874 /nfs/dbraw/zinc/61/38/74/564613874.db2.gz KJWDKKSBTJIVNY-AWEZNQCLSA-N 1 0 391.313 2.530 20 0 GFADRO CC[C@H](C)[NH+]1CCN(C(=O)[C@@H]2CC(=O)Nc3ccc(Br)cc32)CC1 ZINC000456529978 564616604 /nfs/dbraw/zinc/61/66/04/564616604.db2.gz MIPMMNVVDUDHLQ-SWLSCSKDSA-N 1 0 394.313 2.818 20 0 GFADRO OC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000572960937 564617282 /nfs/dbraw/zinc/61/72/82/564617282.db2.gz WSOTUXKUOAOWBF-SUHUHFCYSA-N 1 0 378.694 2.593 20 0 GFADRO C[C@H](CCNC(=O)C(=O)NCc1cccc(Cl)c1Cl)[NH+]1CCCCC1 ZINC000550420277 564623981 /nfs/dbraw/zinc/62/39/81/564623981.db2.gz YMUDHCWOQMBLPV-CYBMUJFWSA-N 1 0 386.323 2.990 20 0 GFADRO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)NCc1cccc(Cl)c1Cl ZINC000550418745 564624075 /nfs/dbraw/zinc/62/40/75/564624075.db2.gz ISAPVRATSFYCIJ-CQSZACIVSA-N 1 0 386.323 2.846 20 0 GFADRO O=C(NCc1cccc(Cl)c1Cl)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000550420210 564624301 /nfs/dbraw/zinc/62/43/01/564624301.db2.gz WEHWRBQNYSGYCS-ZDUSSCGKSA-N 1 0 384.307 2.554 20 0 GFADRO CC(C)[C@@]1(CO)CCC[N@H+](Cc2cc(=O)n3cc(Br)ccc3n2)C1 ZINC000550433965 564624355 /nfs/dbraw/zinc/62/43/55/564624355.db2.gz ZSXOMJPIVMJXSU-SFHVURJKSA-N 1 0 394.313 2.688 20 0 GFADRO COc1cc(C(=O)NCC[N@@H+]2CCC[C@@H](C)C2)cc(Br)c1OC ZINC000550599896 564626861 /nfs/dbraw/zinc/62/68/61/564626861.db2.gz BTJDJUXXIRCLGV-GFCCVEGCSA-N 1 0 385.302 2.928 20 0 GFADRO CC[NH+](CC)[C@@H](CNC(=O)C(=O)NC[C@H]1CCCCS1)c1ccsc1 ZINC000550636866 564627823 /nfs/dbraw/zinc/62/78/23/564627823.db2.gz PQEIVEZGVMWWBF-CVEARBPZSA-N 1 0 383.583 2.649 20 0 GFADRO C[C@@H](C(=O)NC(C)(C)C)N(C)C[C@H](O)COc1ccc(Cl)cc1Cl ZINC000485880739 564629219 /nfs/dbraw/zinc/62/92/19/564629219.db2.gz JSCWZNKZRDREJJ-AAEUAGOBSA-N 1 0 377.312 2.968 20 0 GFADRO OC1CC[NH+](Cc2ccccc2CNc2ccncc2Br)CC1 ZINC000550788521 564631613 /nfs/dbraw/zinc/63/16/13/564631613.db2.gz VSCLOQZLBJDYCV-UHFFFAOYSA-N 1 0 376.298 2.835 20 0 GFADRO CCOCC[C@@H](O)C[NH2+]Cc1cc(Cl)cc(I)c1 ZINC000573317427 564633167 /nfs/dbraw/zinc/63/31/67/564633167.db2.gz HWKBZYXYYRHZKO-CYBMUJFWSA-N 1 0 383.657 2.822 20 0 GFADRO C[NH+]1CCC(CC(=O)Nc2n[nH]c(-c3ccc(Br)cc3)n2)CC1 ZINC000486060557 564638058 /nfs/dbraw/zinc/63/80/58/564638058.db2.gz HPKRFEAPKHBTKR-UHFFFAOYSA-N 1 0 378.274 2.905 20 0 GFADRO CC[NH+]1CCN(CC(C)(C)NC(=O)c2ccc(Br)cc2C)CC1 ZINC000456904213 564638448 /nfs/dbraw/zinc/63/84/48/564638448.db2.gz SGFXOJXIEOPHQQ-UHFFFAOYSA-N 1 0 382.346 2.903 20 0 GFADRO CN(C(=O)c1cc(Br)c2c(c1)OCCO2)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000521931061 564639387 /nfs/dbraw/zinc/63/93/87/564639387.db2.gz NOTAYVCVCUGLOQ-ZDUSSCGKSA-N 1 0 381.270 2.529 20 0 GFADRO Cc1ccc(C(=O)N2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)c(Br)c1 ZINC000486144544 564641072 /nfs/dbraw/zinc/64/10/72/564641072.db2.gz ACKXNMHVNORHSZ-QAPCUYQASA-N 1 0 394.357 2.856 20 0 GFADRO COc1cc(C[NH2+]C[C@H](O)COc2cc(F)cc(Br)c2)ccn1 ZINC000521996611 564641259 /nfs/dbraw/zinc/64/12/59/564641259.db2.gz YZRDPZNEWRBQGI-AWEZNQCLSA-N 1 0 385.233 2.521 20 0 GFADRO CC[C@H](NC(=O)NCC[N@H+](C)CCOC)c1cc(F)cc(Br)c1 ZINC000486192021 564643005 /nfs/dbraw/zinc/64/30/05/564643005.db2.gz PSOZXGFODSBWFZ-HNNXBMFYSA-N 1 0 390.297 2.917 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@H]2C)cc1Br ZINC000486207353 564643599 /nfs/dbraw/zinc/64/35/99/564643599.db2.gz SYJJBYFWZRVJAA-MLGOLLRUSA-N 1 0 394.313 2.603 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)NCC[N@H+]2CC=C(C)CC2)cc1Br ZINC000486219333 564644496 /nfs/dbraw/zinc/64/44/96/564644496.db2.gz DYWFJGWYQHEBGF-UHFFFAOYSA-N 1 0 394.313 2.773 20 0 GFADRO CC(C)(C[NH+]1CCCC1)NC(=O)[C@H]1CC(=O)Nc2ccc(Br)cc21 ZINC000457053185 564645347 /nfs/dbraw/zinc/64/53/47/564645347.db2.gz OXBYTFFQUKOFRR-AWEZNQCLSA-N 1 0 394.313 2.866 20 0 GFADRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](C)NC(=O)c2ccc(Br)cc2)C1 ZINC000457089971 564645974 /nfs/dbraw/zinc/64/59/74/564645974.db2.gz UJQYTKAABGYZJL-CJNGLKHVSA-N 1 0 396.329 2.509 20 0 GFADRO O=C(Nc1cc(Br)c[nH]c1=O)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000522181311 564646339 /nfs/dbraw/zinc/64/63/39/564646339.db2.gz KOGMIJFWGGIAAZ-CYBMUJFWSA-N 1 0 391.269 2.795 20 0 GFADRO CN(Cc1ccc(Br)o1)C(=O)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000522255806 564647934 /nfs/dbraw/zinc/64/79/34/564647934.db2.gz KTYJGNFMEHSCJJ-GOSISDBHSA-N 1 0 393.281 2.638 20 0 GFADRO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]C1CCN(c2nccs2)CC1 ZINC000573669610 564648996 /nfs/dbraw/zinc/64/89/96/564648996.db2.gz DDSXIGGTUWOSNQ-LBPRGKRZSA-N 1 0 397.342 2.714 20 0 GFADRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)c2cc(Br)c3c(c2)OCCO3)C1 ZINC000457137079 564649275 /nfs/dbraw/zinc/64/92/75/564649275.db2.gz WWQTWEXIBVEYFV-ZDUSSCGKSA-N 1 0 383.286 2.775 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)NCC[NH+]2CCCCCC2)cc1Br ZINC000486371165 564649479 /nfs/dbraw/zinc/64/94/79/564649479.db2.gz MRGFJWPNIBMIIU-UHFFFAOYSA-N 1 0 396.329 2.997 20 0 GFADRO Cn1ccnc1[C@@H]([NH2+]C[C@H](O)COc1cc(F)cc(Br)c1)C1CC1 ZINC000573714195 564650828 /nfs/dbraw/zinc/65/08/28/564650828.db2.gz OJEGRMQKOUHDFV-HOCLYGCPSA-N 1 0 398.276 2.802 20 0 GFADRO C[NH2+][C@@H](CC(C)(C)C)C(=O)NCc1cc(Br)c2c(c1)OCCO2 ZINC000573718506 564650834 /nfs/dbraw/zinc/65/08/34/564650834.db2.gz VYPRBEPZXUJAME-ZDUSSCGKSA-N 1 0 385.302 2.861 20 0 GFADRO C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000486409666 564651445 /nfs/dbraw/zinc/65/14/45/564651445.db2.gz SJBOPGJFRCLQLK-RKVPGOIHSA-N 1 0 394.357 2.852 20 0 GFADRO C[C@@H](Oc1ccc(Cl)c(Cl)c1)C(=O)NC[C@H](O)C[NH+]1CCC(C)CC1 ZINC000522565183 564652958 /nfs/dbraw/zinc/65/29/58/564652958.db2.gz ZZZOJNDXMPYFCP-KGLIPLIRSA-N 1 0 389.323 2.970 20 0 GFADRO COc1cc(C(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)cc(Br)c1OC ZINC000551522961 564653663 /nfs/dbraw/zinc/65/36/63/564653663.db2.gz GDRUFJANDTZCFW-NSHDSACASA-N 1 0 383.286 2.847 20 0 GFADRO COCCC[C@@H](C)[NH2+]CC(=O)Nc1ccc(I)cc1 ZINC000551572703 564655272 /nfs/dbraw/zinc/65/52/72/564655272.db2.gz JITHOQRQPPVBTB-LLVKDONJSA-N 1 0 376.238 2.634 20 0 GFADRO CC[NH+]1CCN(CCC(=O)N2CCC[C@@H]2c2ccc(Br)cn2)CC1 ZINC000457330217 564657020 /nfs/dbraw/zinc/65/70/20/564657020.db2.gz PGSCBXJBKDEJPS-QGZVFWFLSA-N 1 0 395.345 2.535 20 0 GFADRO C[C@H](NS(=O)(=O)c1cncc(Cl)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000486595578 564657685 /nfs/dbraw/zinc/65/76/85/564657685.db2.gz OUKUTEZEBDDAAO-GOEBONIOSA-N 1 0 379.913 2.924 20 0 GFADRO C[C@H]1CCN(C(=O)c2cn(-c3ccc(Br)cc3)cn2)[C@@H](C)[C@H]1[NH3+] ZINC000457370517 564658824 /nfs/dbraw/zinc/65/88/24/564658824.db2.gz PDVXMHIEZHUMPK-MKBNYLNASA-N 1 0 377.286 2.833 20 0 GFADRO C[C@H]([NH3+])CCC(=O)N(CCn1ccnc1)Cc1ccccc1Br ZINC000573918606 564659531 /nfs/dbraw/zinc/65/95/31/564659531.db2.gz UUTKAACNSFJDGR-AWEZNQCLSA-N 1 0 379.302 2.802 20 0 GFADRO COCC[N@@H+]1CC[C@H](NC(=O)NCC2(c3cccc(Br)c3)CC2)C1 ZINC000522974556 564660229 /nfs/dbraw/zinc/66/02/29/564660229.db2.gz SPUQSTXJBQGPQH-INIZCTEOSA-N 1 0 396.329 2.501 20 0 GFADRO C[C@H](NC(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1)c1ccc(Br)cc1 ZINC000457451156 564661677 /nfs/dbraw/zinc/66/16/77/564661677.db2.gz HYTPIDFJZBDWRP-MJBXVCDLSA-N 1 0 384.318 2.607 20 0 GFADRO C[C@H](NC(=O)NC[C@@H]1CCCC[N@@H+]1CCO)c1ccccc1Br ZINC000457458036 564662884 /nfs/dbraw/zinc/66/28/84/564662884.db2.gz LWMDUTICMUDCMK-KBPBESRZSA-N 1 0 384.318 2.656 20 0 GFADRO COc1c(Cl)cc(NC(=O)C(=O)NCC[N@@H+]2CCC[C@H](C)C2)cc1Cl ZINC000523210260 564663197 /nfs/dbraw/zinc/66/31/97/564663197.db2.gz RWNDMGWSZVQWGN-NSHDSACASA-N 1 0 388.295 2.789 20 0 GFADRO O=S1(=O)CCC(O)(C[NH2+][C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000551814338 564664238 /nfs/dbraw/zinc/66/42/38/564664238.db2.gz UTTIUZWYMUGAQT-GOSISDBHSA-N 1 0 379.909 2.959 20 0 GFADRO O=C(c1cn(Cc2ccc(Cl)cc2Cl)nn1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000457540148 564664650 /nfs/dbraw/zinc/66/46/50/564664650.db2.gz ILDZTCXNNDVLTG-AWEZNQCLSA-N 1 0 380.279 2.553 20 0 GFADRO Cc1nc(CNC(=O)NC2CC[NH+](CC3CC3)CC2)sc1Br ZINC000574035201 564665232 /nfs/dbraw/zinc/66/52/32/564665232.db2.gz VHYJDXLOKRUJNJ-UHFFFAOYSA-N 1 0 387.347 2.888 20 0 GFADRO C[C@@H]1CN(CC[N@H+](C)Cc2cccc(I)c2)C[C@H](C)O1 ZINC000551823295 564665547 /nfs/dbraw/zinc/66/55/47/564665547.db2.gz SJKPNSMOVKRCLN-OKILXGFUSA-N 1 0 388.293 2.832 20 0 GFADRO C[NH+](C)CCN(CC(=O)OC(C)(C)C)C(=O)Cc1ccc(Br)cc1 ZINC000523392429 564665694 /nfs/dbraw/zinc/66/56/94/564665694.db2.gz FVNPNQAZULZZNP-UHFFFAOYSA-N 1 0 399.329 2.724 20 0 GFADRO CCC[NH+]1CCN(C(=O)[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)CC1 ZINC000486782269 564666601 /nfs/dbraw/zinc/66/66/01/564666601.db2.gz XCIYHOSXVOKPDY-AWEZNQCLSA-N 1 0 384.307 2.901 20 0 GFADRO CC(C)OC[C@H](O)C[NH2+]C1CCN(Cc2ccc(Br)cc2)CC1 ZINC000574071830 564667097 /nfs/dbraw/zinc/66/70/97/564667097.db2.gz MMSDFGBQJBBKNC-GOSISDBHSA-N 1 0 385.346 2.789 20 0 GFADRO CSc1ccc([C@H](CNC(=O)NCCOCC(F)(F)F)[NH+](C)C)cc1 ZINC000457617284 564667609 /nfs/dbraw/zinc/66/76/09/564667609.db2.gz ORPAQPPPGZCKMR-AWEZNQCLSA-N 1 0 379.448 2.889 20 0 GFADRO CS[C@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)c(C)c2)C[C@@H]1[NH+](C)C ZINC000574121346 564668913 /nfs/dbraw/zinc/66/89/13/564668913.db2.gz DCSYPZIQPBDCFY-KBPBESRZSA-N 1 0 382.473 2.680 20 0 GFADRO COc1c(Cl)cc(NC(=O)C(=O)N[C@@H](C)C[NH+]2CCCCC2)cc1Cl ZINC000523630653 564670077 /nfs/dbraw/zinc/67/00/77/564670077.db2.gz XBTINSLANQHFCU-NSHDSACASA-N 1 0 388.295 2.931 20 0 GFADRO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2cc(I)c[nH]2)C1 ZINC000523727088 564672094 /nfs/dbraw/zinc/67/20/94/564672094.db2.gz APKBHTAHDOUWKF-NSHDSACASA-N 1 0 389.281 2.860 20 0 GFADRO CC[C@@H](NC(=O)NCC[N@H+](CC)CCO)c1cc(F)cc(Br)c1 ZINC000487022591 564672620 /nfs/dbraw/zinc/67/26/20/564672620.db2.gz WIRVAGIXJVFEID-OAHLLOKOSA-N 1 0 390.297 2.653 20 0 GFADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)N(C)Cc2cccc(Br)c2)C1 ZINC000523813383 564673006 /nfs/dbraw/zinc/67/30/06/564673006.db2.gz REAWSGWKTNPCSS-KRWDZBQOSA-N 1 0 398.345 2.947 20 0 GFADRO C[C@H](Cc1ccc(O)cc1)[NH2+]C[C@H]1CCN(S(=O)(=O)c2cccs2)C1 ZINC000552032760 564674017 /nfs/dbraw/zinc/67/40/17/564674017.db2.gz PSRGPJXGNHHULB-GDBMZVCRSA-N 1 0 380.535 2.685 20 0 GFADRO C[C@@H](Sc1ccc(Br)cc1)C(=O)NC[C@@]1(O)C[NH+]2CCC1CC2 ZINC000552026803 564674522 /nfs/dbraw/zinc/67/45/22/564674522.db2.gz DXXZAIJZCUXWGE-SJKOYZFVSA-N 1 0 399.354 2.503 20 0 GFADRO COc1c(Cl)cc(NC(=O)C(=O)NCC2([NH+](C)C)CCCC2)cc1Cl ZINC000523933877 564674476 /nfs/dbraw/zinc/67/44/76/564674476.db2.gz DYWMOSVXZVHYSZ-UHFFFAOYSA-N 1 0 388.295 2.931 20 0 GFADRO Cc1cc(Br)c(S(=O)(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)s1 ZINC000487070496 564674769 /nfs/dbraw/zinc/67/47/69/564674769.db2.gz LXDHMQZIGVXUSE-MNOVXSKESA-N 1 0 381.361 2.970 20 0 GFADRO C[NH+](C)[C@H]1CCC[C@H](NS(=O)(=O)c2cc(Br)c(F)cc2F)C1 ZINC000487116890 564676548 /nfs/dbraw/zinc/67/65/48/564676548.db2.gz OMGORROAYPLARF-UWVGGRQHSA-N 1 0 397.285 2.878 20 0 GFADRO Cn1ncc(Br)c1C[NH2+]C[C@@H](CO)Cc1c(F)cccc1Cl ZINC000487307308 564682575 /nfs/dbraw/zinc/68/25/75/564682575.db2.gz IWEZPVXRQHXMJS-JTQLQIEISA-N 1 0 390.684 2.916 20 0 GFADRO Cc1ccc(SCC(F)(F)F)c(NC(=O)C(=O)N[C@@H](C)C[C@H](C)[NH3+])c1 ZINC000574638633 564682787 /nfs/dbraw/zinc/68/27/87/564682787.db2.gz ZYDHEHGFBSVSDS-QWRGUYRKSA-N 1 0 377.432 2.830 20 0 GFADRO O=C([C@H]1CCC[N@@H+]1C1CCOCC1)N1CCc2ccc(Br)cc2C1 ZINC000552328187 564685980 /nfs/dbraw/zinc/68/59/80/564685980.db2.gz PPFOCDGMKXCLFP-GOSISDBHSA-N 1 0 393.325 2.977 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1cccc(F)c1I ZINC000574749414 564687195 /nfs/dbraw/zinc/68/71/95/564687195.db2.gz DMUHTVBGNYMXEW-CHWSQXEVSA-N 1 0 388.224 2.787 20 0 GFADRO C[C@H]1CC[N@H+](CCNC(=O)c2cnn(-c3ccc(Br)cc3)c2)C1 ZINC000524775801 564687315 /nfs/dbraw/zinc/68/73/15/564687315.db2.gz SOWGZIQIWRLJOY-ZDUSSCGKSA-N 1 0 377.286 2.706 20 0 GFADRO COc1cc(Br)c(CN2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)c(OC)c1 ZINC000574757195 564687983 /nfs/dbraw/zinc/68/79/83/564687983.db2.gz SURVQNSHXLKKHZ-AEFFLSMTSA-N 1 0 399.329 2.795 20 0 GFADRO CN(C(=O)c1cc(F)ccc1I)[C@H]1CCC[N@H+](C)C1 ZINC000525008807 564692219 /nfs/dbraw/zinc/69/22/19/564692219.db2.gz OZSFIWQATONFOP-NSHDSACASA-N 1 0 376.213 2.597 20 0 GFADRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)[C@H](c2ccc(Cl)cc2Cl)N2CCOCC2)C1 ZINC000575122375 564692230 /nfs/dbraw/zinc/69/22/30/564692230.db2.gz LPIUCQKYVSRPSM-MRRJBJDNSA-N 1 0 386.323 2.610 20 0 GFADRO CC(C)N(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CCSc2ccc(Cl)cc21 ZINC000552476515 564692463 /nfs/dbraw/zinc/69/24/63/564692463.db2.gz YCPFTDNIRGJHMN-HNNXBMFYSA-N 1 0 383.945 2.792 20 0 GFADRO O=C(NC1CC[NH+](C2CC2)CC1)N(CCO)Cc1cccc(Br)c1 ZINC000487635460 564692805 /nfs/dbraw/zinc/69/28/05/564692805.db2.gz OJSFXNOYEIACNT-UHFFFAOYSA-N 1 0 396.329 2.580 20 0 GFADRO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N1CCC[C@H]1c1cccc(Br)c1 ZINC000552501938 564693238 /nfs/dbraw/zinc/69/32/38/564693238.db2.gz LAIVZXGBXWHZBC-BBRMVZONSA-N 1 0 396.329 2.569 20 0 GFADRO O=C(C[NH2+]CC1CC1)NCc1cc(Br)ccc1Br ZINC000575398945 564698579 /nfs/dbraw/zinc/69/85/79/564698579.db2.gz GIRQPQZHYOKPNT-UHFFFAOYSA-N 1 0 376.092 2.827 20 0 GFADRO COCC[NH2+]C1CCN([C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)CC1 ZINC000575412058 564698758 /nfs/dbraw/zinc/69/87/58/564698758.db2.gz LAZCLDQVWPLZRK-QGZVFWFLSA-N 1 0 386.323 2.799 20 0 GFADRO Cc1cc(N2CC[C@H]([NH2+][C@H](C)Cc3cnccn3)C2=O)ccc1Br ZINC000575600748 564700426 /nfs/dbraw/zinc/70/04/26/564700426.db2.gz LXHHMQOSGMILEQ-DYVFJYSZSA-N 1 0 389.297 2.874 20 0 GFADRO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCCc1ccc(I)s1 ZINC000525477007 564701846 /nfs/dbraw/zinc/70/18/46/564701846.db2.gz PHUTVJLQOIHTQW-PHIMTYICSA-N 1 0 392.306 2.884 20 0 GFADRO C[C@H]1C[C@@H](NC(=O)c2cc(=O)c3cc(Br)ccc3[nH]2)CC[N@@H+]1C ZINC000525620076 564703341 /nfs/dbraw/zinc/70/33/41/564703341.db2.gz ZWFQQYNTPIJUSZ-JQWIXIFHSA-N 1 0 378.270 2.503 20 0 GFADRO COCC1([NH2+]Cc2cnn(-c3ccc(Br)cc3)c2)CCOCC1 ZINC000576010893 564704795 /nfs/dbraw/zinc/70/47/95/564704795.db2.gz TURSAZOOYKWZIZ-UHFFFAOYSA-N 1 0 380.286 2.920 20 0 GFADRO C[N@@H+]1CCC[C@@]2(CCN(S(=O)(=O)c3cc(C(F)(F)F)ccc3F)C2)C1 ZINC000576244118 564709217 /nfs/dbraw/zinc/70/92/17/564709217.db2.gz HINQWEKZBVPDJM-OAHLLOKOSA-N 1 0 380.407 2.951 20 0 GFADRO C[C@@H]1CC[N@H+](CCNC(=O)c2cnn(-c3cccc(Br)c3)c2)C1 ZINC000525804930 564709246 /nfs/dbraw/zinc/70/92/46/564709246.db2.gz XHSBLQICATTWIF-CYBMUJFWSA-N 1 0 377.286 2.706 20 0 GFADRO CC[C@H](C)[C@H]([NH2+]CCNS(=O)(=O)c1cnn(C)c1)c1ccc(Cl)cc1 ZINC000576250200 564710139 /nfs/dbraw/zinc/71/01/39/564710139.db2.gz HXAGPCHFXHWJHA-GUYCJALGSA-N 1 0 384.933 2.729 20 0 GFADRO COc1cc(Br)ccc1CNC(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000488495737 564712743 /nfs/dbraw/zinc/71/27/43/564712743.db2.gz JBCRMVOTNHLAST-HUUCEWRRSA-N 1 0 382.302 2.884 20 0 GFADRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)NCCCCn2cc(Br)cn2)C1 ZINC000458724642 564714963 /nfs/dbraw/zinc/71/49/63/564714963.db2.gz BFLLSTDJYWBSQS-OAHLLOKOSA-N 1 0 386.338 2.550 20 0 GFADRO CC[C@H](C)[N@H+](C)CCNC(=O)N[C@H](CO)c1ccc(Br)c(F)c1 ZINC000488642716 564716645 /nfs/dbraw/zinc/71/66/45/564716645.db2.gz KNTZBJLYCYULNO-XHDPSFHLSA-N 1 0 390.297 2.651 20 0 GFADRO C[C@H]1C[C@H](NC(=O)NC(C)(C)CCC[NH+](C)C)c2ccsc2S1(=O)=O ZINC000458794917 564718841 /nfs/dbraw/zinc/71/88/41/564718841.db2.gz WLYOUEJSLRHBFK-JSGCOSHPSA-N 1 0 387.571 2.775 20 0 GFADRO C[NH+](C)[C@H]1CCC[C@H](NS(=O)(=O)Cc2cccc(Br)c2)C1 ZINC000553430776 564720590 /nfs/dbraw/zinc/72/05/90/564720590.db2.gz LNOZZQMWRDNQFX-GJZGRUSLSA-N 1 0 375.332 2.741 20 0 GFADRO CS(=O)(=O)N1CC[C@@H]([NH2+][C@@H](c2ccc(Br)s2)C2CC2)C1 ZINC000576998669 564722295 /nfs/dbraw/zinc/72/22/95/564722295.db2.gz OQCQACBYGWQORX-ZWNOBZJWSA-N 1 0 379.345 2.585 20 0 GFADRO C[C@H](NC(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O)c1cc(Cl)ccc1Cl ZINC000488904543 564723284 /nfs/dbraw/zinc/72/32/84/564723284.db2.gz URPAEQZOSVINEE-NHYWBVRUSA-N 1 0 387.311 2.693 20 0 GFADRO CSc1ccc([C@@H](CNC(=O)N(C)C[C@@H](O)C(F)(F)F)[NH+](C)C)cc1 ZINC000458905212 564723256 /nfs/dbraw/zinc/72/32/56/564723256.db2.gz VGGCOQRUZKSYCR-ZIAGYGMSSA-N 1 0 379.448 2.576 20 0 GFADRO Cc1nc(CNC(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)sc1Br ZINC000458921251 564723992 /nfs/dbraw/zinc/72/39/92/564723992.db2.gz GTZMFIGLUHRQCJ-NEPJUHHUSA-N 1 0 387.347 2.840 20 0 GFADRO C[C@H](NS(=O)(=O)Cc1ccc(Cl)cc1Br)[C@H]1CCC[NH2+]C1 ZINC000577107568 564725409 /nfs/dbraw/zinc/72/54/09/564725409.db2.gz QHQUYIWLBCZEGS-QWRGUYRKSA-N 1 0 395.750 2.910 20 0 GFADRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)Cc1ccc(I)cc1 ZINC000488979682 564726150 /nfs/dbraw/zinc/72/61/50/564726150.db2.gz NRAWTFMJLLFXAI-CQSZACIVSA-N 1 0 386.277 2.634 20 0 GFADRO Cc1ccc(OCCC(=O)NCC[NH+]2CCSCC2)c(Br)c1 ZINC000488997828 564726401 /nfs/dbraw/zinc/72/64/01/564726401.db2.gz GOXXRERLBANPIJ-UHFFFAOYSA-N 1 0 387.343 2.691 20 0 GFADRO COC(=O)c1csc(S(=O)(=O)N(CC[NH+]2CCCCCC2)C(C)C)c1 ZINC000553559418 564726780 /nfs/dbraw/zinc/72/67/80/564726780.db2.gz FQOAVESRWQQIHI-UHFFFAOYSA-N 1 0 388.555 2.810 20 0 GFADRO C[C@H](C[C@H](C)[NH3+])NC(=O)N1CCN([C@H](C)c2ccc(Br)cc2)CC1 ZINC000577175488 564728012 /nfs/dbraw/zinc/72/80/12/564728012.db2.gz AEKQMMFNVITMPK-RRFJBIMHSA-N 1 0 397.361 2.963 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(C(=O)N[C@@H]3CCc4c3ccc(F)c4Br)C[C@@H]21 ZINC000459038577 564728870 /nfs/dbraw/zinc/72/88/70/564728870.db2.gz HAHSJYCCBINGLW-KMUNFCNLSA-N 1 0 382.277 2.921 20 0 GFADRO O=C(Cc1cn2ccccc2n1)N(CCO)Cc1cccc(Br)c1 ZINC000489112101 564729661 /nfs/dbraw/zinc/72/96/61/564729661.db2.gz OCJGYIXCVAYVHF-UHFFFAOYSA-N 1 0 388.265 2.660 20 0 GFADRO CCC[NH+]1CCC(NS(=O)(=O)Cc2cccc(Br)c2)CC1 ZINC000553772746 564735077 /nfs/dbraw/zinc/73/50/77/564735077.db2.gz LWMLWFUDYFQIGA-UHFFFAOYSA-N 1 0 375.332 2.743 20 0 GFADRO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)NCc1nc2c(cccc2Br)[nH]1 ZINC000459192662 564735567 /nfs/dbraw/zinc/73/55/67/564735567.db2.gz FNBJBEGMJSOARY-AWEZNQCLSA-N 1 0 394.317 2.807 20 0 GFADRO C[NH+](C)C1(CNS(=O)(=O)c2c(F)cccc2OC(F)(F)F)CCCC1 ZINC000553782063 564736018 /nfs/dbraw/zinc/73/60/18/564736018.db2.gz UBOLJDWQZPFWGO-UHFFFAOYSA-N 1 0 384.395 2.877 20 0 GFADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)NCc2nc3c(cccc3Br)[nH]2)C1 ZINC000459220469 564736822 /nfs/dbraw/zinc/73/68/22/564736822.db2.gz SKLLBYCUZWMCNY-LBPRGKRZSA-N 1 0 394.317 2.809 20 0 GFADRO Cc1nc(-c2ccc(CNC(=O)NCC[N@@H+]3CCCOCC3)s2)cs1 ZINC000527337295 564739992 /nfs/dbraw/zinc/73/99/92/564739992.db2.gz VQPNVRRIWHQCEI-UHFFFAOYSA-N 1 0 380.539 2.702 20 0 GFADRO COCC[N@H+](Cc1ccc(I)cc1)[C@H]1CCO[C@H]1C ZINC000489463883 564741066 /nfs/dbraw/zinc/74/10/66/564741066.db2.gz ANVVCKGDBSRNJJ-WFASDCNBSA-N 1 0 375.250 2.917 20 0 GFADRO C[C@H](NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1ccc(Br)c(F)c1 ZINC000489529202 564742878 /nfs/dbraw/zinc/74/28/78/564742878.db2.gz UIASIPNNMCWUEG-GXTWGEPZSA-N 1 0 386.309 2.826 20 0 GFADRO CCO[C@@H]1C[C@H]([NH2+]C[C@H](O)COc2cccc(C(F)(F)F)c2)[C@H]1SC ZINC000459391531 564742902 /nfs/dbraw/zinc/74/29/02/564742902.db2.gz KGHYYOQIRCXGMR-ARLBYUKCSA-N 1 0 379.444 2.944 20 0 GFADRO COC(=O)c1cccnc1CN(CCO)Cc1cc(Br)cs1 ZINC000459425223 564743636 /nfs/dbraw/zinc/74/36/36/564743636.db2.gz RTQPHTJJUHIFGD-UHFFFAOYSA-N 1 0 385.283 2.687 20 0 GFADRO NC(=O)c1ncn([C@H]2CCCN(Cc3cc(Cl)cc(Br)c3)C2)n1 ZINC000459437367 564744843 /nfs/dbraw/zinc/74/48/43/564744843.db2.gz YPQOLGVPOLPHSE-ZDUSSCGKSA-N 1 0 398.692 2.630 20 0 GFADRO COc1cc(NC(=O)NCCc2cn(C)cn2)cc(OC)c1Br ZINC000459487974 564746773 /nfs/dbraw/zinc/74/67/73/564746773.db2.gz RHTNOYIENFQNAS-UHFFFAOYSA-N 1 0 383.246 2.564 20 0 GFADRO Cc1cc(CC(C)(C)NC(=O)[C@@H]2C[N@@H+]3CCN2CCC3)ccc1Br ZINC000554008610 564748311 /nfs/dbraw/zinc/74/83/11/564748311.db2.gz DOBJBRIPVBRENM-KRWDZBQOSA-N 1 0 394.357 2.585 20 0 GFADRO CCOC(=O)c1cc(Cl)cc(S(=O)(=O)N[C@@H]2CCC[N@@H+](C(C)C)C2)c1 ZINC000489673181 564748412 /nfs/dbraw/zinc/74/84/12/564748412.db2.gz WXBGWZXBNVVKPF-OAHLLOKOSA-N 1 0 388.917 2.668 20 0 GFADRO CC(C)[N@@H+]1CCC[C@@H](NS(=O)(=O)c2cccc(OC(F)(F)F)c2F)C1 ZINC000489673212 564748492 /nfs/dbraw/zinc/74/84/92/564748492.db2.gz XCKBMFAHZYAQFR-LLVKDONJSA-N 1 0 384.395 2.875 20 0 GFADRO CC(=O)NCCN(Cc1cccc(O)c1Br)C1CCSCC1 ZINC000459541751 564749031 /nfs/dbraw/zinc/74/90/31/564749031.db2.gz KHYYGAQTSMKOGZ-UHFFFAOYSA-N 1 0 387.343 2.988 20 0 GFADRO CCN(Cc1ccc(Cl)s1)C(=O)C(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000579633056 564749538 /nfs/dbraw/zinc/74/95/38/564749538.db2.gz VXKZDRFXROLJEK-UHFFFAOYSA-N 1 0 385.961 2.988 20 0 GFADRO COC(=O)c1ccc(S(=O)(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)c(Cl)c1 ZINC000579637879 564750535 /nfs/dbraw/zinc/75/05/35/564750535.db2.gz VEZFEQXSXYLBMK-HNNXBMFYSA-N 1 0 390.933 2.771 20 0 GFADRO OC[C@@H](C[NH2+]C1CCN(C2CC2)CC1)Cc1ccc(F)c(Br)c1 ZINC000459566109 564751430 /nfs/dbraw/zinc/75/14/30/564751430.db2.gz HCHPUDNIAFWTMY-CQSZACIVSA-N 1 0 385.321 2.956 20 0 GFADRO OC[C@H](C[NH2+]Cc1cn2cccnc2n1)Cc1cc(Br)ccc1F ZINC000459568778 564751484 /nfs/dbraw/zinc/75/14/84/564751484.db2.gz JPTQXKCOJQWMBH-LBPRGKRZSA-N 1 0 393.260 2.572 20 0 GFADRO CNC(=O)c1cccc(NC(=O)NCC[C@@H]2CCC[N@H+](C)C2)c1Br ZINC000459567741 564751624 /nfs/dbraw/zinc/75/16/24/564751624.db2.gz AHJNNZNUDMALHR-LBPRGKRZSA-N 1 0 397.317 2.662 20 0 GFADRO COCc1cc(C[NH2+]C[C@@H](CO)Cc2ccc(C)c(Br)c2)no1 ZINC000459567545 564751643 /nfs/dbraw/zinc/75/16/43/564751643.db2.gz ISRXRFIICLBCOL-AWEZNQCLSA-N 1 0 383.286 2.833 20 0 GFADRO Cc1nc2n(n1)C[C@H]([NH2+]Cc1c[nH]nc1-c1ccc(Br)s1)CC2 ZINC000527650671 564753396 /nfs/dbraw/zinc/75/33/96/564753396.db2.gz AEPHTCRCLTYSQE-LLVKDONJSA-N 1 0 393.314 2.905 20 0 GFADRO Cn1cnc(CC[NH2+]Cc2cc(Br)cc(Br)c2N)c1 ZINC000459669771 564756438 /nfs/dbraw/zinc/75/64/38/564756438.db2.gz UYDHVOJDLJRWSC-UHFFFAOYSA-N 1 0 388.107 2.860 20 0 GFADRO Cn1nccc1[C@H]1[C@H]([NH2+]Cc2ccsc2Br)CCC(=O)N1C ZINC000527704275 564757375 /nfs/dbraw/zinc/75/73/75/564757375.db2.gz HBUVDMFTCHRRCT-BXUZGUMPSA-N 1 0 383.315 2.696 20 0 GFADRO C[C@@H]1CN(S(=O)(=O)c2ccc3ccccc3c2Br)CC[C@H]1[NH3+] ZINC000580429811 564758146 /nfs/dbraw/zinc/75/81/46/564758146.db2.gz CMUPPQYMSVBQEG-BXUZGUMPSA-N 1 0 383.311 2.960 20 0 GFADRO Fc1cc(Br)ccc1C[NH2+]CC1(N2CCOCC2)CCOCC1 ZINC000459714479 564758413 /nfs/dbraw/zinc/75/84/13/564758413.db2.gz OQEVBHTZJBHGIT-UHFFFAOYSA-N 1 0 387.293 2.559 20 0 GFADRO CC[N@@H+]1CCCC[C@H]1CNS(=O)(=O)c1cc(Br)c(F)cc1F ZINC000554370213 564758423 /nfs/dbraw/zinc/75/84/23/564758423.db2.gz LGJNVZQEQRIDMD-JTQLQIEISA-N 1 0 397.285 2.880 20 0 GFADRO CCOc1cc(C[NH2+][C@@H]2COC[C@@H]2OC)cc(Br)c1OC(F)F ZINC000459753994 564759874 /nfs/dbraw/zinc/75/98/74/564759874.db2.gz KYWVBMRJICZTCL-YPMHNXCESA-N 1 0 396.228 2.953 20 0 GFADRO COc1ccc(CN2CC[C@H]2C[NH2+]Cc2c(Br)cnn2C)cc1 ZINC000527776028 564760693 /nfs/dbraw/zinc/76/06/93/564760693.db2.gz XNVKRLQVEKDBFL-AWEZNQCLSA-N 1 0 379.302 2.555 20 0 GFADRO O=C(NCC[NH+]1CCCCC1)Nc1ccc2nccnc2c1Br ZINC000554469159 564761578 /nfs/dbraw/zinc/76/15/78/564761578.db2.gz VPKQKFSNZJEDAJ-UHFFFAOYSA-N 1 0 378.274 3.000 20 0 GFADRO COc1ccc(CC[NH2+]Cc2cc(Br)c3c(c2)OCCO3)cn1 ZINC000527792996 564761677 /nfs/dbraw/zinc/76/16/77/564761677.db2.gz FZKLKKWQJPRVTB-UHFFFAOYSA-N 1 0 379.254 2.956 20 0 GFADRO CC[NH+]1CCN(Cc2ccc(NC(=O)[C@@H]3C[C@@]3(C)Br)cc2)CC1 ZINC000527941753 564765344 /nfs/dbraw/zinc/76/53/44/564765344.db2.gz POONCUBBIRUFLB-FUHWJXTLSA-N 1 0 380.330 2.936 20 0 GFADRO CC[NH+]1CCN(Cc2ccccc2CNC(=O)[C@H]2C[C@]2(C)Br)CC1 ZINC000527942643 564765497 /nfs/dbraw/zinc/76/54/97/564765497.db2.gz XFWJSDGYWPDBOZ-MJGOQNOKSA-N 1 0 394.357 2.614 20 0 GFADRO C[C@@]1(CCNC(=O)N2CCC(C)([NH+]3CCOCC3)CC2)CC1(Cl)Cl ZINC000527986124 564766104 /nfs/dbraw/zinc/76/61/04/564766104.db2.gz IVUOAUXBTMJPJE-OAHLLOKOSA-N 1 0 378.344 2.857 20 0 GFADRO COc1ccc(CN2CC[C@@H]2C[NH2+][C@H](C)Cn2cc(Br)cn2)cc1 ZINC000527970263 564766274 /nfs/dbraw/zinc/76/62/74/564766274.db2.gz PECHQSPLAKPSRA-RHSMWYFYSA-N 1 0 393.329 2.907 20 0 GFADRO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000460000970 564768105 /nfs/dbraw/zinc/76/81/05/564768105.db2.gz YLDOAPIIJFQRQS-ZDUSSCGKSA-N 1 0 386.323 2.752 20 0 GFADRO O=S(=O)(Cc1ccc(Cl)cc1Br)N[C@H]1CC[NH2+]C12CCC2 ZINC000528049978 564768110 /nfs/dbraw/zinc/76/81/10/564768110.db2.gz VGGYEYDJRSBYRN-ZDUSSCGKSA-N 1 0 393.734 2.807 20 0 GFADRO Cn1nccc1[C@H]1[C@H](CNC(=O)COc2ccsc2Cl)CCC[N@@H+]1C ZINC000580664657 564768248 /nfs/dbraw/zinc/76/82/48/564768248.db2.gz DHUQYZAAXMILTK-BLLLJJGKSA-N 1 0 382.917 2.713 20 0 GFADRO Cc1ccc(I)c(C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@@H]32)c1 ZINC000490303132 564768364 /nfs/dbraw/zinc/76/83/64/564768364.db2.gz ZWPBKVZVGIDMJT-DOMZBBRYSA-N 1 0 384.261 2.766 20 0 GFADRO C[C@H]1CN(S(=O)(=O)c2ccc(Br)o2)CC[N@@H+](C2CCC2)C1 ZINC000490417650 564769980 /nfs/dbraw/zinc/76/99/80/564769980.db2.gz AQBXLJFKOZVUCM-LLVKDONJSA-N 1 0 377.304 2.537 20 0 GFADRO C[C@]1(CNC(=O)N[C@@H]2CCN(c3ccccc3Br)C2)CCC[NH2+]C1 ZINC000580703947 564770305 /nfs/dbraw/zinc/77/03/05/564770305.db2.gz WLBWUEKYRREZET-KDOFPFPSSA-N 1 0 395.345 2.717 20 0 GFADRO C[NH+]1CCN(c2cccc(-c3noc([C@H]4C[C@@]4(C)Br)n3)n2)CC1 ZINC000528146132 564771819 /nfs/dbraw/zinc/77/18/19/564771819.db2.gz GKJSBVDFVHTJSS-BDJLRTHQSA-N 1 0 378.274 2.524 20 0 GFADRO [NH3+]CC[C@H]1CCCCN1C(=O)[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000580775423 564773537 /nfs/dbraw/zinc/77/35/37/564773537.db2.gz VMPKDTDWNPMOKL-GDBMZVCRSA-N 1 0 394.313 2.532 20 0 GFADRO CS[C@@H]1CN([C@H](C)C(=O)NCc2ccc(Cl)cc2)C[C@H]1[NH+]1CCCC1 ZINC000460345330 564774087 /nfs/dbraw/zinc/77/40/87/564774087.db2.gz BTJJYDDIGKHXNO-ZTFGCOKTSA-N 1 0 381.973 2.856 20 0 GFADRO O=C(NCc1cc(Cl)cc(Cl)c1OC(F)F)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000490543874 564776554 /nfs/dbraw/zinc/77/65/54/564776554.db2.gz KVDKRHFOHGOCNR-ZDUSSCGKSA-N 1 0 394.249 2.601 20 0 GFADRO C[C@@H](C[NH+](C)C)NC(=O)c1ccc2cc(I)ccc2n1 ZINC000580909924 564779089 /nfs/dbraw/zinc/77/90/89/564779089.db2.gz MVBQDEBSBVBARW-JTQLQIEISA-N 1 0 383.233 2.519 20 0 GFADRO C[NH+]1CCN(c2ccc(Br)cc2NC(=O)[C@H]2C[C@]23CCOC3)CC1 ZINC000460752977 564780365 /nfs/dbraw/zinc/78/03/65/564780365.db2.gz BVFGIEKUOKDWNF-KDOFPFPSSA-N 1 0 394.313 2.566 20 0 GFADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)[C@@H](C)Oc2cccc(Br)c2)C1 ZINC000460792989 564780887 /nfs/dbraw/zinc/78/08/87/564780887.db2.gz TWCZWWCPURMMCW-PBHICJAKSA-N 1 0 399.329 2.689 20 0 GFADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)[C@H](C)Oc2cccc(Br)c2)C1 ZINC000460792992 564781099 /nfs/dbraw/zinc/78/10/99/564781099.db2.gz TWCZWWCPURMMCW-YOEHRIQHSA-N 1 0 399.329 2.689 20 0 GFADRO C[C@@H](NC(=O)NCCOCC[NH+](C)C)c1ccc(Br)cc1F ZINC000460829894 564781200 /nfs/dbraw/zinc/78/12/00/564781200.db2.gz JJZQXLKPIXAAGJ-LLVKDONJSA-N 1 0 376.270 2.527 20 0 GFADRO CCC[N@H+](CC)C[C@@H](C)NC(=O)C(=O)Nc1ccc(F)cc1Br ZINC000555056329 564781915 /nfs/dbraw/zinc/78/19/15/564781915.db2.gz CLXYFFUIYYLCAC-LLVKDONJSA-N 1 0 388.281 2.763 20 0 GFADRO CCCC[N@H+](C)CCNC(=O)NCC(=O)Nc1cc(Cl)ccc1Cl ZINC000490914834 564783043 /nfs/dbraw/zinc/78/30/43/564783043.db2.gz UJPQOFHSUUJZBK-UHFFFAOYSA-N 1 0 375.300 2.963 20 0 GFADRO CC[NH+]1CCN([C@H]2CCN(c3ncc4scc(Br)c4n3)C2)CC1 ZINC000581142959 564789527 /nfs/dbraw/zinc/78/95/27/564789527.db2.gz QNVUFAGCNQNODD-LBPRGKRZSA-N 1 0 396.358 2.670 20 0 GFADRO Cc1sc2ncnc(SCCC(=O)N3CC[C@H]4C[NH2+]C[C@H]4C3)c2c1C ZINC000581192898 564792646 /nfs/dbraw/zinc/79/26/46/564792646.db2.gz ALNPPXBKLOYLMM-KBPBESRZSA-N 1 0 376.551 2.858 20 0 GFADRO COc1cc(OC)c(S(=O)(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)cc1Cl ZINC000528547561 564793234 /nfs/dbraw/zinc/79/32/34/564793234.db2.gz HGLJAWNFOFQSMK-CYBMUJFWSA-N 1 0 388.917 2.652 20 0 GFADRO O=S(=O)(c1ccccc1OC(F)(F)F)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000491871706 564796388 /nfs/dbraw/zinc/79/63/88/564796388.db2.gz AZWRPFNUBOLNBW-CYBMUJFWSA-N 1 0 378.416 2.834 20 0 GFADRO COC(=O)c1ccc(S(=O)(=O)N(C)C(C)(C)C[NH+]2CCCCCC2)s1 ZINC000492151710 564799409 /nfs/dbraw/zinc/79/94/09/564799409.db2.gz NEUXQZMOFOPDCO-UHFFFAOYSA-N 1 0 388.555 2.810 20 0 GFADRO CO[C@H]1C[C@H]2C[C@@H]([NH2+]CCNS(=O)(=O)c3ccc(F)cc3Cl)C[C@H]2C1 ZINC000581423871 564801815 /nfs/dbraw/zinc/80/18/15/564801815.db2.gz QUYLTJQGJPYCJN-CUFDPUGPSA-N 1 0 390.908 2.551 20 0 GFADRO O=C(CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[S@@]2=O)Nc1ccc(Br)cc1 ZINC000528786488 564805179 /nfs/dbraw/zinc/80/51/79/564805179.db2.gz ZIRHLZBPRLABRP-ZCCHDVMBSA-N 1 0 385.327 2.763 20 0 GFADRO O=S1(=O)C[C@H](C[NH2+]Cc2cc(Br)cs2)Oc2ccccc21 ZINC000581488413 564805407 /nfs/dbraw/zinc/80/54/07/564805407.db2.gz HJROUFAMZRDMQK-NSHDSACASA-N 1 0 388.308 2.835 20 0 GFADRO C[C@@H](C(=O)N(C)Cc1c(F)cccc1Cl)N1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC000528784285 564805683 /nfs/dbraw/zinc/80/56/83/564805683.db2.gz RBIWUYWYWQYGLC-QBSBMQLGSA-N 1 0 386.920 2.811 20 0 GFADRO O=C(c1ccc(Br)c(F)c1F)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000528798559 564806395 /nfs/dbraw/zinc/80/63/95/564806395.db2.gz RACDQXSZRYJACP-LLVKDONJSA-N 1 0 389.240 2.522 20 0 GFADRO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)C[NH2+][C@@H]1CCC[C@@]1(C)CO ZINC000493408904 564807482 /nfs/dbraw/zinc/80/74/82/564807482.db2.gz FDGYTPIWGDCQGH-DYVFJYSZSA-N 1 0 389.279 2.859 20 0 GFADRO O=C(NC[C@@H]1C[NH2+]CCCO1)Nc1cc(C(F)(F)F)ccc1Br ZINC000581596141 564808728 /nfs/dbraw/zinc/80/87/28/564808728.db2.gz YTUGMAJWFOTORF-JTQLQIEISA-N 1 0 396.207 2.968 20 0 GFADRO CCCC[N@H+](C)CCNC(=O)C(=O)Nc1ccc(Br)c(C2CC2)n1 ZINC000555938888 564808917 /nfs/dbraw/zinc/80/89/17/564808917.db2.gz VZJCZOHFKWSIIM-UHFFFAOYSA-N 1 0 397.317 2.508 20 0 GFADRO CN(Cc1ccc(Cl)s1)C(=O)CN1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000581598303 564810249 /nfs/dbraw/zinc/81/02/49/564810249.db2.gz APFRURCJMJCMNS-QAPCUYQASA-N 1 0 385.961 2.578 20 0 GFADRO C[C@H]1CN(S(=O)(=O)c2cnccc2C(F)(F)F)CC[N@@H+](C2CCC2)C1 ZINC000581643411 564812120 /nfs/dbraw/zinc/81/21/20/564812120.db2.gz XLOHTKSHVBACJZ-GFCCVEGCSA-N 1 0 377.432 2.595 20 0 GFADRO FC(F)Oc1ccc(Br)cc1C[NH2+][C@@H]1CCc2nnnn2CC1 ZINC000581660689 564812669 /nfs/dbraw/zinc/81/26/69/564812669.db2.gz SWAITUBTPMOMRK-LLVKDONJSA-N 1 0 388.216 2.532 20 0 GFADRO C[C@@H](c1cccc(Br)c1)[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000581667369 564812750 /nfs/dbraw/zinc/81/27/50/564812750.db2.gz JJOIXBQPHGAZPT-GOEBONIOSA-N 1 0 380.330 2.654 20 0 GFADRO COCCO[C@@H]1COCC[C@@H]1[NH2+][C@H]1CCc2sc(Br)cc21 ZINC000556179678 564814441 /nfs/dbraw/zinc/81/44/41/564814441.db2.gz VUZRCHHPNWKNCE-RWMBFGLXSA-N 1 0 376.316 2.908 20 0 GFADRO CN1CCC[C@H]1C[NH2+]C[C@H](O)COc1ccc(Cl)cc1Br ZINC000581721712 564815802 /nfs/dbraw/zinc/81/58/02/564815802.db2.gz MFMSVWQSBBTIOR-STQMWFEESA-N 1 0 377.710 2.526 20 0 GFADRO O=C(CC[N@@H+]1CCc2cc[nH]c(=O)c2C1)Nc1ccc(Br)cc1 ZINC000494086733 564817173 /nfs/dbraw/zinc/81/71/73/564817173.db2.gz CQNMGXNPLFGPII-UHFFFAOYSA-N 1 0 376.254 2.937 20 0 GFADRO Cc1csc(C(=O)N[C@H]2CCCC[C@H]2C[NH3+])c1I ZINC000581879236 564821473 /nfs/dbraw/zinc/82/14/73/564821473.db2.gz YZEIQQSCESDYPN-UWVGGRQHSA-N 1 0 378.279 2.908 20 0 GFADRO COCCC[NH+]1CCC(NCc2cccc(I)c2)CC1 ZINC000556384984 564822621 /nfs/dbraw/zinc/82/26/21/564822621.db2.gz CBOWGKYSGMTYBI-UHFFFAOYSA-N 1 0 388.293 2.882 20 0 GFADRO C[NH+](C)CCOc1ccc(CNS(=O)(=O)c2cc(Cl)ccc2F)cc1 ZINC000556378821 564822980 /nfs/dbraw/zinc/82/29/80/564822980.db2.gz JWIBTIHWXCYCKO-UHFFFAOYSA-N 1 0 386.876 2.898 20 0 GFADRO C[C@@H]1C[N@H+](C[C@@H](O)COc2cc(F)cc(Br)c2)CC2(CCC2)O1 ZINC000581942014 564823736 /nfs/dbraw/zinc/82/37/36/564823736.db2.gz QGXNMELZDDADAV-IUODEOHRSA-N 1 0 388.277 2.971 20 0 GFADRO O=C(CCNC(=O)N1CC[C@]2(CC[NH2+]C2)C1)Nc1cc(Cl)cc(Cl)c1 ZINC000581993030 564825892 /nfs/dbraw/zinc/82/58/92/564825892.db2.gz XPCXHMSDIWXYTP-KRWDZBQOSA-N 1 0 385.295 2.717 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCN(C(=O)Nc2ccc(I)cc2F)C1 ZINC000582014177 564826916 /nfs/dbraw/zinc/82/69/16/564826916.db2.gz JSFWSNYGILIIIW-IUCAKERBSA-N 1 0 377.201 2.631 20 0 GFADRO C[C@@]1(CCNC(=O)N2CCC(CO[C@H]3CC[NH2+]C3)CC2)CC1(Cl)Cl ZINC000529329888 564829673 /nfs/dbraw/zinc/82/96/73/564829673.db2.gz JEHHHKVZVMQNRK-GOEBONIOSA-N 1 0 378.344 2.761 20 0 GFADRO Cc1cc(Br)c(S(=O)(=O)NCCC2CC[NH+](C)CC2)s1 ZINC000462261806 564829872 /nfs/dbraw/zinc/82/98/72/564829872.db2.gz WYIKHGLYFGAJEN-UHFFFAOYSA-N 1 0 381.361 2.829 20 0 GFADRO O=C(NCc1cc(F)c(Br)cc1F)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000529338288 564830493 /nfs/dbraw/zinc/83/04/93/564830493.db2.gz CHCGCKJEYWNFRI-CKYFFXLPSA-N 1 0 388.256 2.915 20 0 GFADRO O=C(N[C@H]1CC[NH2+]C12CCC2)N1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000529367680 564830855 /nfs/dbraw/zinc/83/08/55/564830855.db2.gz TVLGBDRQLBNRJI-HOTGVXAUSA-N 1 0 394.313 2.817 20 0 GFADRO CC[C@H]1CN(CC[NH2+][C@@H](C)CC(=O)Nc2cccc(Br)c2)CCO1 ZINC000494511769 564832577 /nfs/dbraw/zinc/83/25/77/564832577.db2.gz ITHOPFDMSWCGRM-YOEHRIQHSA-N 1 0 398.345 2.867 20 0 GFADRO Cc1ncc(Br)cc1NC(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000556666946 564833938 /nfs/dbraw/zinc/83/39/38/564833938.db2.gz MRJDTOFYBXCZSI-UHFFFAOYSA-N 1 0 393.289 3.260 20 0 GFADRO C[C@@H]1CC[N@H+](C)CCN1C(=O)C(=O)NCCCc1ccc(Cl)cc1Cl ZINC000582264505 564837717 /nfs/dbraw/zinc/83/77/17/564837717.db2.gz NPHKHLNKYHFILY-CYBMUJFWSA-N 1 0 386.323 2.595 20 0 GFADRO CC[NH+]1CCC(N(C)S(=O)(=O)c2sc(C)cc2Br)CC1 ZINC000462449848 564841184 /nfs/dbraw/zinc/84/11/84/564841184.db2.gz WTAMGMOAQBPWBR-UHFFFAOYSA-N 1 0 381.361 2.924 20 0 GFADRO Cc1cc(S(=O)(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)c(C)cc1Br ZINC000462486818 564842478 /nfs/dbraw/zinc/84/24/78/564842478.db2.gz SIDHFIOGYHCGNQ-OLZOCXBDSA-N 1 0 375.332 2.827 20 0 GFADRO O=S(=O)(NC[C@@H]1CCCN(Cc2c(F)ccc(F)c2Cl)C1)C1CC1 ZINC000529571708 564843265 /nfs/dbraw/zinc/84/32/65/564843265.db2.gz VBHMRNFPBRJHDL-NSHDSACASA-N 1 0 378.872 2.912 20 0 GFADRO COC[C@@]1(CO)CC[N@H+](Cc2c[nH]nc2-c2ccc(Br)s2)C1 ZINC000529594668 564844132 /nfs/dbraw/zinc/84/41/32/564844132.db2.gz FKYHTXYJYYQDDG-HNNXBMFYSA-N 1 0 386.315 2.732 20 0 GFADRO C[C@@H]1C[NH+](CCC2CCN(Cc3c(Br)cnn3C)CC2)C[C@@H](C)O1 ZINC000494985381 564844499 /nfs/dbraw/zinc/84/44/99/564844499.db2.gz JNCCKJLLOJZQJV-HUUCEWRRSA-N 1 0 399.377 2.894 20 0 GFADRO CN(C)C(=O)[C@H]1CC[N@H+](Cc2c[nH]nc2-c2ccc(Br)s2)C1 ZINC000529610032 564845189 /nfs/dbraw/zinc/84/51/89/564845189.db2.gz VTZCQARHDOWXGW-JTQLQIEISA-N 1 0 383.315 2.811 20 0 GFADRO O=C(NCCC1=CC[NH2+]CC1)N1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000582410157 564845341 /nfs/dbraw/zinc/84/53/41/564845341.db2.gz HQGIVLIZUBZTDE-QGZVFWFLSA-N 1 0 394.313 2.842 20 0 GFADRO O[C@@H](C[NH2+][C@H]1c2ccccc2C[C@H]1O)COc1cc(F)cc(Br)c1 ZINC000582420811 564846558 /nfs/dbraw/zinc/84/65/58/564846558.db2.gz JOJUBPLOULPLPQ-QGTPRVQTSA-N 1 0 396.256 2.576 20 0 GFADRO CN(CC[NH2+]Cc1sccc1Br)S(=O)(=O)c1cccs1 ZINC000462541858 564846583 /nfs/dbraw/zinc/84/65/83/564846583.db2.gz ISQZUHVRJDGZCO-UHFFFAOYSA-N 1 0 395.369 2.982 20 0 GFADRO CC1(C)CC[C@@H]1[NH2+]CCCNS(=O)(=O)c1ccccc1Br ZINC000556915937 564847152 /nfs/dbraw/zinc/84/71/52/564847152.db2.gz PWKQFAJUWHCTRB-AWEZNQCLSA-N 1 0 375.332 2.896 20 0 GFADRO OCC[C@@H]([NH2+]Cc1cccc(I)c1)C1CCOCC1 ZINC000582501693 564849115 /nfs/dbraw/zinc/84/91/15/564849115.db2.gz PFFHFJQTKLZZKL-OAHLLOKOSA-N 1 0 375.250 2.558 20 0 GFADRO CC[NH2+]CCCNC(=O)C(=O)Nc1ccc(Br)c(Cl)c1Cl ZINC000556984358 564850188 /nfs/dbraw/zinc/85/01/88/564850188.db2.gz GYSYHCJLLUZTJL-UHFFFAOYSA-N 1 0 397.100 2.810 20 0 GFADRO CN(C(=O)Nc1cc(Br)cc(C(=O)N2CCCC2)c1)[C@H]1CC[NH2+]C1 ZINC000557006415 564850667 /nfs/dbraw/zinc/85/06/67/564850667.db2.gz MDXMBPMNYKZKNZ-HNNXBMFYSA-N 1 0 395.301 2.511 20 0 GFADRO CS[C@H]1CN(C(=O)Cc2ccc(Br)c(F)c2)C[C@H]1[NH+](C)C ZINC000495697762 564855802 /nfs/dbraw/zinc/85/58/02/564855802.db2.gz YEYKJHIKYUAVDP-KGLIPLIRSA-N 1 0 375.307 2.635 20 0 GFADRO Cc1ccc(C[C@H](CO)CNC(=O)CCCC[NH+](C)C)cc1Br ZINC000582650130 564856412 /nfs/dbraw/zinc/85/64/12/564856412.db2.gz YEEZPODOFBIKOP-INIZCTEOSA-N 1 0 385.346 2.757 20 0 GFADRO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)COc1cc(Cl)ccc1Cl ZINC000495805409 564856550 /nfs/dbraw/zinc/85/65/50/564856550.db2.gz ZRTNQOUWLZQWTM-UHFFFAOYSA-N 1 0 388.339 2.857 20 0 GFADRO CS[C@@H]1CN(C(=O)Cc2cccc(OCC(F)(F)F)c2)C[C@@H]1[NH+](C)C ZINC000495725348 564856584 /nfs/dbraw/zinc/85/65/84/564856584.db2.gz BLSQFLLZRLJNCZ-LSDHHAIUSA-N 1 0 376.444 2.674 20 0 GFADRO CCC[NH2+][C@H](C)C(=O)NCc1cc(Cl)cc(I)c1 ZINC000582664146 564856684 /nfs/dbraw/zinc/85/66/84/564856684.db2.gz BPGTTWNZBQPTCH-SECBINFHSA-N 1 0 380.657 2.949 20 0 GFADRO O=S(=O)(CC[NH2+][C@@H]1CCCc2ccc(Cl)cc21)NC[C@H]1CCCCO1 ZINC000557269045 564859007 /nfs/dbraw/zinc/85/90/07/564859007.db2.gz UFHAWUYNZDYAPH-SJLPKXTDSA-N 1 0 386.945 2.796 20 0 GFADRO CCCN(CC[NH+](C)C)C(=O)c1cc(I)ccc1F ZINC000496373275 564860028 /nfs/dbraw/zinc/86/00/28/564860028.db2.gz YZKWSOGBICCKGN-UHFFFAOYSA-N 1 0 378.229 2.844 20 0 GFADRO COc1nc(C)c(Br)cc1C(=O)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000530024723 564860654 /nfs/dbraw/zinc/86/06/54/564860654.db2.gz AKHSAXPJRZVMJI-CYBMUJFWSA-N 1 0 382.302 2.908 20 0 GFADRO O=C(N[C@@H]1C[C@H]1C1CC[NH2+]CC1)c1cc(F)ccc1I ZINC000462875307 564861473 /nfs/dbraw/zinc/86/14/73/564861473.db2.gz ARECIMUAOWPQBN-SMDDNHRTSA-N 1 0 388.224 2.548 20 0 GFADRO COc1cc(C(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)cc(OC)c1Br ZINC000462880619 564861693 /nfs/dbraw/zinc/86/16/93/564861693.db2.gz ZDFBCGKVVUFAQS-QWHCGFSZSA-N 1 0 383.286 2.584 20 0 GFADRO Cc1cc(S(=O)(=O)NCCC[C@@H]2CCC[NH2+]2)c(C)cc1Br ZINC000582785651 564861792 /nfs/dbraw/zinc/86/17/92/564861792.db2.gz MKUNMFTYONDJST-ZDUSSCGKSA-N 1 0 375.332 2.876 20 0 GFADRO CC[C@H](CNc1ncnc2ccc(I)cc21)[NH+]1CCCC1 ZINC000462923340 564862921 /nfs/dbraw/zinc/86/29/21/564862921.db2.gz AUIUGAYBXMKKFT-CYBMUJFWSA-N 1 0 396.276 3.521 20 0 GFADRO C[C@@H]1CN(S(=O)(=O)c2c(Cl)cc(F)cc2Br)CC[C@H]1[NH3+] ZINC000497358181 564865195 /nfs/dbraw/zinc/86/51/95/564865195.db2.gz NOYSTDWPECJAJI-RDDDGLTNSA-N 1 0 385.686 2.599 20 0 GFADRO NC(=O)[C@H](NC[C@@H]1CC[N@@H+]1C1CCCCC1)c1ccc(Br)cc1 ZINC000530129118 564865349 /nfs/dbraw/zinc/86/53/49/564865349.db2.gz FFMIMEDZZMQQLX-DLBZAZTESA-N 1 0 380.330 2.972 20 0 GFADRO CC[NH+]1CCN(c2ccc(CNc3ncccc3Br)cn2)CC1 ZINC000557508341 564865382 /nfs/dbraw/zinc/86/53/82/564865382.db2.gz OJOLBOMDWHGUPH-UHFFFAOYSA-N 1 0 376.302 2.993 20 0 GFADRO NC(=O)[C@H](NC[C@@H]1CC[N@@H+]1C1CCCCC1)c1cccc(Br)c1 ZINC000530129199 564865599 /nfs/dbraw/zinc/86/55/99/564865599.db2.gz GFQAKHGOPGAPAG-DLBZAZTESA-N 1 0 380.330 2.972 20 0 GFADRO CCCOc1c(Br)cc(C[NH2+]C[C@H]2COCCN2)cc1OCC ZINC000530181617 564869911 /nfs/dbraw/zinc/86/99/11/564869911.db2.gz NTMFBKXOSYDXEC-AWEZNQCLSA-N 1 0 387.318 2.715 20 0 GFADRO Fc1c(Br)ccc(CN[C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)c1F ZINC000530223389 564872804 /nfs/dbraw/zinc/87/28/04/564872804.db2.gz UYMPBJGHLKFKCZ-MRVWCRGKSA-N 1 0 375.257 2.974 20 0 GFADRO CS(=O)(=O)c1ccc([C@H](O)C[NH2+][C@@H]2[C@@H]3Cc4c(cccc4Cl)[C@@H]32)cc1 ZINC000530243907 564873269 /nfs/dbraw/zinc/87/32/69/564873269.db2.gz LZWAHGBKBOTJAG-OQIJWPOYSA-N 1 0 377.893 2.705 20 0 GFADRO COC(=O)c1cc(C[NH2+]C[C@H](CO)Cc2ccc(Br)cc2)cn1C ZINC000583091876 564875476 /nfs/dbraw/zinc/87/54/76/564875476.db2.gz WAXZYIDNGNPNGW-OAHLLOKOSA-N 1 0 395.297 2.515 20 0 GFADRO CC(C)(C)[C@H](O)C[C@@H](CO)[NH2+]CCC(=O)Nc1ccc(Br)cc1 ZINC000583084975 564875638 /nfs/dbraw/zinc/87/56/38/564875638.db2.gz STWNXUJBAHOHCW-LSDHHAIUSA-N 1 0 387.318 2.525 20 0 GFADRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1cnnn1-c1c(Cl)cccc1Cl ZINC000530322381 564875716 /nfs/dbraw/zinc/87/57/16/564875716.db2.gz BWNLKNAKEXYYFF-QMTHXVAHSA-N 1 0 380.279 2.787 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)N1CCC(F)(F)[C@@H](CO)C1)c1ccc(Cl)cc1 ZINC000583118027 564876238 /nfs/dbraw/zinc/87/62/38/564876238.db2.gz PMNIYIZRNYTGPR-UKRRQHHQSA-N 1 0 375.847 2.602 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)NC[C@H]2CC[N@@H+](C(C)C)C2)c(Br)c1 ZINC000583121031 564876742 /nfs/dbraw/zinc/87/67/42/564876742.db2.gz JTSDHQADEXLFIV-CQSZACIVSA-N 1 0 396.329 2.851 20 0 GFADRO Cc1c(Br)ccnc1NC(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000583132583 564877063 /nfs/dbraw/zinc/87/70/63/564877063.db2.gz AFEZVBAYBSETCZ-LBPRGKRZSA-N 1 0 385.306 2.775 20 0 GFADRO O=C(CC[NH2+]CCCOC1CCOCC1)Nc1ccc(Br)cc1 ZINC000583139071 564877373 /nfs/dbraw/zinc/87/73/73/564877373.db2.gz UVCLNCFUOAACNX-UHFFFAOYSA-N 1 0 385.302 2.953 20 0 GFADRO CC[NH2+]CCCNC(=O)C(=O)N[C@@H](c1ccc(Br)cc1)C1CCC1 ZINC000583133426 564877382 /nfs/dbraw/zinc/87/73/82/564877382.db2.gz YJAPUHRPHYYNPF-MRXNPFEDSA-N 1 0 396.329 2.522 20 0 GFADRO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)c2cn3ccc(Br)cc3n2)C1 ZINC000583159577 564878211 /nfs/dbraw/zinc/87/82/11/564878211.db2.gz GVAKUMDZFBHGRT-CQSZACIVSA-N 1 0 391.313 2.901 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)Cc2cccc(Br)c2)[C@H](C)C1 ZINC000557825514 564878929 /nfs/dbraw/zinc/87/89/29/564878929.db2.gz GBIFXFMERSFISY-CZUORRHYSA-N 1 0 389.359 2.941 20 0 GFADRO O=S(=O)(Cc1ccccc1Br)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000557847454 564881752 /nfs/dbraw/zinc/88/17/52/564881752.db2.gz MLCHOLURTAHOLT-OAHLLOKOSA-N 1 0 387.343 2.885 20 0 GFADRO Cc1cc(N2CCC[C@@H]([N@@H+]3CCC[C@H](CO)C3)C2=O)ccc1Br ZINC000463477710 564882235 /nfs/dbraw/zinc/88/22/35/564882235.db2.gz JMSDHCPRUPGKRY-WMLDXEAASA-N 1 0 381.314 2.957 20 0 GFADRO O=S(=O)(c1ccc(Cl)s1)N1CCC[N@@H+](C[C@H]2CCCC[C@@H]2O)CC1 ZINC000583247352 564882880 /nfs/dbraw/zinc/88/28/80/564882880.db2.gz FDYJUFFQWGLASB-KGLIPLIRSA-N 1 0 392.974 2.649 20 0 GFADRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1S(=O)(=O)c1ccc(F)c(Br)c1 ZINC000557854652 564882938 /nfs/dbraw/zinc/88/29/38/564882938.db2.gz YANYKKPSRAKMRP-ABAIWWIYSA-N 1 0 391.306 2.836 20 0 GFADRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)N2CCC(n3cc(Br)cn3)CC2)C1 ZINC000557913498 564884678 /nfs/dbraw/zinc/88/46/78/564884678.db2.gz KWHHMVCEUJCONX-AWEZNQCLSA-N 1 0 398.349 2.722 20 0 GFADRO C[C@H](NC(=O)c1cccs1)C(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000530590115 564887913 /nfs/dbraw/zinc/88/79/13/564887913.db2.gz CBLDLXWIIPMAQF-WFASDCNBSA-N 1 0 379.913 2.939 20 0 GFADRO CN(C[C@H]1CC[N@H+](C)C1)C(=O)c1c(Cl)cccc1I ZINC000463752587 564888938 /nfs/dbraw/zinc/88/89/38/564888938.db2.gz CZMMBSMKLFKJJL-JTQLQIEISA-N 1 0 392.668 2.968 20 0 GFADRO COCC1(CC[NH2+][C@@H](C)c2ccc(Br)c(S(N)(=O)=O)c2)CC1 ZINC000583381110 564889449 /nfs/dbraw/zinc/88/94/49/564889449.db2.gz XFJJKOVWYLWCOF-NSHDSACASA-N 1 0 391.331 2.564 20 0 GFADRO Cn1cc(C[C@H]2CC[N@H+](Cc3cc4c(cc3Br)OCO4)C2)cn1 ZINC000530627052 564889494 /nfs/dbraw/zinc/88/94/94/564889494.db2.gz BYNYTCYDNFVYNU-GFCCVEGCSA-N 1 0 378.270 2.976 20 0 GFADRO Cc1cc(C)c(NC(=O)N2CC[N@@H+](C[C@H](C)O)C[C@H]2C)c(Br)c1 ZINC000498193593 564891279 /nfs/dbraw/zinc/89/12/79/564891279.db2.gz AJOUHYDKMAVZQO-KGLIPLIRSA-N 1 0 384.318 2.985 20 0 GFADRO CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)C12CCC2 ZINC000558258074 564897128 /nfs/dbraw/zinc/89/71/28/564897128.db2.gz PBAWRHXVTQDUJO-OWCLPIDISA-N 1 0 384.567 2.839 20 0 GFADRO CCOc1cc(C[NH2+][C@@H](C)CC(N)=O)cc(Br)c1OC(F)F ZINC000498373903 564897782 /nfs/dbraw/zinc/89/77/82/564897782.db2.gz LNCFBPANFLCFJX-QMMMGPOBSA-N 1 0 381.217 2.803 20 0 GFADRO O=C(CNC(=O)c1c(Cl)cc(F)cc1Cl)NCC[NH+]1CCCCCC1 ZINC000558352843 564898648 /nfs/dbraw/zinc/89/86/48/564898648.db2.gz VLHXERZDVVAMAC-UHFFFAOYSA-N 1 0 390.286 2.855 20 0 GFADRO CC[N@@H+]1C[C@H](C)N(C(=O)c2cc(F)ccc2I)C[C@@H]1C ZINC000498573468 564902777 /nfs/dbraw/zinc/90/27/77/564902777.db2.gz UIMHWQSQVBBDGX-QWRGUYRKSA-N 1 0 390.240 2.985 20 0 GFADRO CC[C@H](NC(=O)c1ccc(C[NH+]2CCSCC2)cc1)[C@@H](O)C(F)(F)F ZINC000498583203 564903547 /nfs/dbraw/zinc/90/35/47/564903547.db2.gz HSWSYAZHRLRWEN-LSDHHAIUSA-N 1 0 376.444 2.667 20 0 GFADRO CN1CCC[C@H]1CNC(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1 ZINC000498635739 564904374 /nfs/dbraw/zinc/90/43/74/564904374.db2.gz RCJGQWLOLYCKRG-HNNXBMFYSA-N 1 0 384.929 2.637 20 0 GFADRO C[C@H]1C[C@@H](NC(=O)c2cc(=O)c3cc(Br)ccc3[nH]2)C[N@@H+]1C1CC1 ZINC000531244275 564904517 /nfs/dbraw/zinc/90/45/17/564904517.db2.gz IXQTYBIAXSKVKB-CMPLNLGQSA-N 1 0 390.281 2.646 20 0 GFADRO Cc1cc(NC(=O)C(=O)NCC(C)(C)C[NH+](C)C)c(F)cc1Br ZINC000498659816 564905187 /nfs/dbraw/zinc/90/51/87/564905187.db2.gz RCRHNKIZQJIEDB-UHFFFAOYSA-N 1 0 388.281 2.539 20 0 GFADRO Cc1ccc(-c2csc(NC(=O)C(=O)NC[C@H](C3CC3)[NH+](C)C)n2)s1 ZINC000498689848 564906375 /nfs/dbraw/zinc/90/63/75/564906375.db2.gz WGRSYUVFEWVREV-CYBMUJFWSA-N 1 0 378.523 2.575 20 0 GFADRO COCC[N@@H+]1CC[C@@H](NC(=O)N[C@@H](C)c2ccc(Br)cc2F)C1 ZINC000558602274 564909059 /nfs/dbraw/zinc/90/90/59/564909059.db2.gz UVNMXVQLYGILGF-WCQYABFASA-N 1 0 388.281 2.669 20 0 GFADRO CCCC[N@H+](C)C[C@@H](C)NS(=O)(=O)c1ccc(Cl)cc1C(=O)OC ZINC000583900287 564911786 /nfs/dbraw/zinc/91/17/86/564911786.db2.gz YMDCOQUBMMIBFF-GFCCVEGCSA-N 1 0 376.906 2.525 20 0 GFADRO CC1=CC[N@H+](CCNC(=O)C(=O)N[C@H](C)c2cccc(Cl)c2Cl)CC1 ZINC000498960484 564914167 /nfs/dbraw/zinc/91/41/67/564914167.db2.gz SDQVAGKFFSZJNR-CYBMUJFWSA-N 1 0 384.307 2.939 20 0 GFADRO O[C@@H](C[NH2+]CCSCc1ccc(Cl)cc1Cl)CN1CCOCC1 ZINC000583989905 564915390 /nfs/dbraw/zinc/91/53/90/564915390.db2.gz VQYSGGUEMQZIJH-HNNXBMFYSA-N 1 0 379.353 2.509 20 0 GFADRO C[C@@H](CNC(=O)c1cc(F)c(F)cc1I)[NH+]1CCCC1 ZINC000531620462 564915726 /nfs/dbraw/zinc/91/57/26/564915726.db2.gz JPNXAKVKHPMFQC-VIFPVBQESA-N 1 0 394.203 2.784 20 0 GFADRO C[C@@H]([NH2+]CCNC(=O)c1cnccn1)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000531706488 564918217 /nfs/dbraw/zinc/91/82/17/564918217.db2.gz NRIHRICABAGQPG-NEPJUHHUSA-N 1 0 383.279 2.959 20 0 GFADRO CC[NH+](CC)CCS(=O)(=O)NCCCc1ccc(Br)cc1F ZINC000584082348 564919922 /nfs/dbraw/zinc/91/99/22/564919922.db2.gz MUEHVYRSJQIZRL-UHFFFAOYSA-N 1 0 395.338 2.782 20 0 GFADRO Cc1cc(C[NH2+][C@@H](Cc2ccccc2)C(N)=O)ccc1I ZINC000499211665 564920212 /nfs/dbraw/zinc/92/02/12/564920212.db2.gz IERLWNJUFCBQJK-INIZCTEOSA-N 1 0 394.256 2.786 20 0 GFADRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000499217034 564921098 /nfs/dbraw/zinc/92/10/98/564921098.db2.gz ULDIEBGLHQEKRU-CYBMUJFWSA-N 1 0 388.295 2.501 20 0 GFADRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)c3cc(I)ccc3Cl)C[C@@H]12 ZINC000584107658 564921814 /nfs/dbraw/zinc/92/18/14/564921814.db2.gz CBDITIHWPFZRGI-XTWCZFFVSA-N 1 0 390.652 2.754 20 0 GFADRO CN(C)C(=O)NCC[N@H+](C)Cc1ccc(OC(F)F)c(Br)c1 ZINC000499255652 564922234 /nfs/dbraw/zinc/92/22/34/564922234.db2.gz XGGQXYAPPOFCBP-UHFFFAOYSA-N 1 0 380.233 2.754 20 0 GFADRO O=S(=O)(N[C@H]1CCCC[C@@H]1N1CCOCC1)c1ccc(Cl)c(Cl)c1 ZINC000531911509 564923914 /nfs/dbraw/zinc/92/39/14/564923914.db2.gz ITDWCPDCAIFCSF-HOTGVXAUSA-N 1 0 393.336 2.915 20 0 GFADRO CCS(=O)(=O)N(C)CCC[NH2+][C@@H](COC)c1cccc(C(F)(F)F)c1 ZINC000531937821 564925168 /nfs/dbraw/zinc/92/51/68/564925168.db2.gz MYGJYWNCSQJEEP-HNNXBMFYSA-N 1 0 382.448 2.654 20 0 GFADRO CC[NH+](CC)CC[C@@H](CO)NC(=O)c1ccc(Br)c2c1OCCC2 ZINC000584241224 564926603 /nfs/dbraw/zinc/92/66/03/564926603.db2.gz GIUCYNKVSHUIFM-ZDUSSCGKSA-N 1 0 399.329 2.597 20 0 GFADRO C[NH+]1CCC(CCO)(NCc2cc(Br)ccc2OC(F)F)CC1 ZINC000584242155 564926819 /nfs/dbraw/zinc/92/68/19/564926819.db2.gz IWDWKBIUJVSXLX-UHFFFAOYSA-N 1 0 393.272 2.987 20 0 GFADRO CC(C)[C@@H](O)C1(C[NH2+]C[C@H](O)COc2cc(F)cc(Br)c2)CC1 ZINC000584292125 564929563 /nfs/dbraw/zinc/92/95/63/564929563.db2.gz VGDOMPMRCNVNKB-GOEBONIOSA-N 1 0 390.293 2.715 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000532179350 564931694 /nfs/dbraw/zinc/93/16/94/564931694.db2.gz RZRJJJGBUPPLPR-HNNXBMFYSA-N 1 0 394.313 2.647 20 0 GFADRO CCc1csc(NC(=O)C(=O)NC[C@@H](c2ccc(Cl)cc2)[NH+](C)C)n1 ZINC000559556167 564934889 /nfs/dbraw/zinc/93/48/89/564934889.db2.gz NLXYHZPJOJDKEH-AWEZNQCLSA-N 1 0 380.901 2.717 20 0 GFADRO C[C@H]1C[C@@H](NC(=O)N(C)CCOc2ccc(Br)cc2)CC[N@@H+]1C ZINC000466042917 564934911 /nfs/dbraw/zinc/93/49/11/564934911.db2.gz RHSDREDRSLMXNL-ZFWWWQNUSA-N 1 0 384.318 2.952 20 0 GFADRO C[C@H](CNC(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1)Oc1cccc(Br)c1 ZINC000466050537 564935261 /nfs/dbraw/zinc/93/52/61/564935261.db2.gz OAJNOKLXEMUTEB-UMVBOHGHSA-N 1 0 384.318 2.998 20 0 GFADRO COCCC[N@H+](C)CCNC(=O)N1Cc2cc(Br)ccc2C[C@@H]1C ZINC000499753800 564935589 /nfs/dbraw/zinc/93/55/89/564935589.db2.gz CIXWGWONMSXZNT-AWEZNQCLSA-N 1 0 398.345 2.874 20 0 GFADRO CC[C@@H]1C[N@@H+]([C@H]2CCCN(c3ccc(Br)c(C)c3)C2=O)C[C@H]1O ZINC000466196032 564936303 /nfs/dbraw/zinc/93/63/03/564936303.db2.gz BMTJZNZEESACTA-XOKHGSTOSA-N 1 0 381.314 2.956 20 0 GFADRO C[C@H]1CC[N@H+](CCNC(=O)c2cc(I)ccc2F)C1 ZINC000532398140 564936327 /nfs/dbraw/zinc/93/63/27/564936327.db2.gz SOTHOVXVLUJORB-JTQLQIEISA-N 1 0 376.213 2.502 20 0 GFADRO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)c1cc(Br)cnc1N(C)C ZINC000499820273 564937042 /nfs/dbraw/zinc/93/70/42/564937042.db2.gz VSSYONAFWYCWJN-STQMWFEESA-N 1 0 383.334 2.903 20 0 GFADRO CC[N@@H+]1CCCN(C(=O)[C@@H]2CC(=O)N(c3cc(Cl)cc(Cl)c3)C2)CC1 ZINC000499869719 564939008 /nfs/dbraw/zinc/93/90/08/564939008.db2.gz XKVHDKUJCDFUSN-CYBMUJFWSA-N 1 0 384.307 2.901 20 0 GFADRO Cc1cc(C[NH2+]Cc2cnc(N(C)C)nc2)ccc1I ZINC000466363353 564939119 /nfs/dbraw/zinc/93/91/19/564939119.db2.gz CVIPUGXFJAEBLU-UHFFFAOYSA-N 1 0 382.249 2.745 20 0 GFADRO CC(C)(C)[N@@H+]1CCCN(C(=O)C(=O)NCc2c(Cl)cccc2Cl)CC1 ZINC000559798252 564940362 /nfs/dbraw/zinc/94/03/62/564940362.db2.gz PCPRVPLIQKHZHI-UHFFFAOYSA-N 1 0 386.323 2.942 20 0 GFADRO CC[NH+]1CCN([C@@H](C)CNC(=O)c2c(C)ccc(Br)c2C)CC1 ZINC000559795787 564940788 /nfs/dbraw/zinc/94/07/88/564940788.db2.gz PLNFKXYZUNNTTH-AWEZNQCLSA-N 1 0 382.346 2.822 20 0 GFADRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)NCc1c(Cl)cccc1Cl ZINC000559800167 564940796 /nfs/dbraw/zinc/94/07/96/564940796.db2.gz DMIANVNNMSJOGQ-QWHCGFSZSA-N 1 0 386.323 2.846 20 0 GFADRO OC[C@H](C[NH2+]Cc1cc(Br)c2c(c1)OCCO2)Cc1ccco1 ZINC000532675580 564942705 /nfs/dbraw/zinc/94/27/05/564942705.db2.gz VFVRCLRWZKWVTC-ZDUSSCGKSA-N 1 0 382.254 2.754 20 0 GFADRO C[C@H](CNC(=O)c1cccc(F)c1I)C[NH+]1CCCC1 ZINC000532755915 564943872 /nfs/dbraw/zinc/94/38/72/564943872.db2.gz HIOYRYOOMSVOKO-LLVKDONJSA-N 1 0 390.240 2.892 20 0 GFADRO C[NH+](C)C[C@@H]1CCN(S(=O)(=O)c2cccc(Br)c2Cl)C1 ZINC000560024871 564945797 /nfs/dbraw/zinc/94/57/97/564945797.db2.gz WILJLLYFQDLBQS-JTQLQIEISA-N 1 0 381.723 2.675 20 0 GFADRO CC(C)(C)[C@@H](O)C[C@H](CO)[NH2+]CC1=Cc2cc(Br)ccc2OC1 ZINC000560066335 564948113 /nfs/dbraw/zinc/94/81/13/564948113.db2.gz BSMXOZPIIKLJRR-WBVHZDCISA-N 1 0 384.314 2.973 20 0 GFADRO C[C@H](Oc1ccc(I)cc1)C(=O)NCC(C)(C)[NH+](C)C ZINC000466930748 564949853 /nfs/dbraw/zinc/94/98/53/564949853.db2.gz KEFULHKZFMTTLQ-NSHDSACASA-N 1 0 390.265 2.515 20 0 GFADRO COc1ccc(C[NH2+][C@@H]2CCO[C@@H](c3nccn3C)C2)c(Br)c1O ZINC000560127759 564950883 /nfs/dbraw/zinc/95/08/83/564950883.db2.gz WSBNKQDHLWXAKX-TZMCWYRMSA-N 1 0 396.285 2.907 20 0 GFADRO COc1ccc(CCC(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)cc1Br ZINC000467027880 564953212 /nfs/dbraw/zinc/95/32/12/564953212.db2.gz CXWYLWAJZIRQSR-BLLLJJGKSA-N 1 0 381.314 2.989 20 0 GFADRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1cccc(F)c1I ZINC000533077193 564953231 /nfs/dbraw/zinc/95/32/31/564953231.db2.gz BMTNSVCVUKLZCH-GWCFXTLKSA-N 1 0 390.240 2.843 20 0 GFADRO CC[N@H+](CCNC(=O)c1cccc(F)c1I)C(C)C ZINC000533085036 564953568 /nfs/dbraw/zinc/95/35/68/564953568.db2.gz WJUJBCVZJAJWKR-UHFFFAOYSA-N 1 0 378.229 2.890 20 0 GFADRO O=S(=O)(CC[NH2+]Cc1ccc(-c2ccc(F)cc2)o1)N1CCSCC1 ZINC000500502294 564956339 /nfs/dbraw/zinc/95/63/39/564956339.db2.gz LSEGMHJCXQCJKX-UHFFFAOYSA-N 1 0 384.498 2.554 20 0 GFADRO Cc1ccc(C[NH2+][C@H]2CCC[C@@H]2CNS(C)(=O)=O)c(Br)c1 ZINC000500570848 564956849 /nfs/dbraw/zinc/95/68/49/564956849.db2.gz MPLDCTMNBVVVOA-HIFRSBDPSA-N 1 0 375.332 2.565 20 0 GFADRO C[C@@H]1CC[N@H+](CCNS(=O)(=O)c2cc(Br)sc2Cl)C1 ZINC000533229535 564958904 /nfs/dbraw/zinc/95/89/04/564958904.db2.gz UHLVBEPQTKJZIG-MRVPVSSYSA-N 1 0 387.752 2.784 20 0 GFADRO CCS(=O)(=O)C[C@@H](C)[NH2+]Cc1ccc(I)c(C)c1 ZINC000467376155 564961653 /nfs/dbraw/zinc/96/16/53/564961653.db2.gz IEJFVPIHMMXSGO-LLVKDONJSA-N 1 0 381.279 2.512 20 0 GFADRO C[NH+](C)CCN(Cc1ccccn1)C(=O)COc1cccc(Br)c1 ZINC000500763374 564962118 /nfs/dbraw/zinc/96/21/18/564962118.db2.gz WDVRGLNJKOKUKI-UHFFFAOYSA-N 1 0 392.297 2.813 20 0 GFADRO CN1CC[C@](O)(C[NH2+][C@H](c2cccc(Br)c2)C2CCOCC2)C1 ZINC000467401380 564962742 /nfs/dbraw/zinc/96/27/42/564962742.db2.gz ZDBIAHYALJRZDI-ROUUACIJSA-N 1 0 383.330 2.573 20 0 GFADRO CC(C)OC1CC[NH+](Cc2cc(=O)n3cc(Br)ccc3n2)CC1 ZINC000533475434 564962933 /nfs/dbraw/zinc/96/29/33/564962933.db2.gz JBNGWGRCCKXOIK-UHFFFAOYSA-N 1 0 380.286 2.846 20 0 GFADRO CC[C@@H](C(=O)N1CCN(Cc2cc(Br)ccc2F)CC1)[NH+](C)C ZINC000500825014 564963857 /nfs/dbraw/zinc/96/38/57/564963857.db2.gz ZAISDYLBQQTQGF-INIZCTEOSA-N 1 0 386.309 2.573 20 0 GFADRO C[NH+]1CCN(C[C@@H](NC(=O)c2cc(Br)co2)c2ccccc2)CC1 ZINC000560486518 564964725 /nfs/dbraw/zinc/96/47/25/564964725.db2.gz RWSFSRLNSUXILY-MRXNPFEDSA-N 1 0 392.297 2.761 20 0 GFADRO CCOc1c(Cl)cc(NC(=O)C(=O)N2CC[C@@H](C[NH+](C)C)C2)cc1Cl ZINC000467585112 564967408 /nfs/dbraw/zinc/96/74/08/564967408.db2.gz YTHMOKOAZJCDBS-NSHDSACASA-N 1 0 388.295 2.741 20 0 GFADRO C[C@@H]([NH2+]C[C@@H]1CCCCN1S(C)(=O)=O)c1cc(Br)cs1 ZINC000560580816 564969087 /nfs/dbraw/zinc/96/90/87/564969087.db2.gz NYHONXGOHCAAPC-PWSUYJOCSA-N 1 0 381.361 2.975 20 0 GFADRO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)c2ccc(Br)cc2F)CC1 ZINC000501080306 564970109 /nfs/dbraw/zinc/97/01/09/564970109.db2.gz WJTWPELYNPEFPZ-OAHLLOKOSA-N 1 0 398.320 2.830 20 0 GFADRO O=S(=O)([C@@H]1CCC[N@H+](Cc2cc3ccccc3s2)C1)N1CCOCC1 ZINC000501113815 564970629 /nfs/dbraw/zinc/97/06/29/564970629.db2.gz OQOZXDOBOYQASP-QGZVFWFLSA-N 1 0 380.535 2.528 20 0 GFADRO C[C@@H](NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)c1nc(C(F)(F)F)cs1 ZINC000467731281 564971239 /nfs/dbraw/zinc/97/12/39/564971239.db2.gz AWMPPRJRBFLSNT-NEPJUHHUSA-N 1 0 378.464 2.755 20 0 GFADRO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)c2cc(Br)ccc2F)CC1 ZINC000501135051 564971361 /nfs/dbraw/zinc/97/13/61/564971361.db2.gz OBBSYYDYSZDKIS-OAHLLOKOSA-N 1 0 398.320 2.830 20 0 GFADRO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)c2ccc(F)cc2Br)CC1 ZINC000501154288 564972605 /nfs/dbraw/zinc/97/26/05/564972605.db2.gz NCCPEDXNRVXOTK-OAHLLOKOSA-N 1 0 398.320 2.830 20 0 GFADRO CC(C)(CNC(=O)NCCNc1cc[nH+]cc1)c1ccc(Br)cc1 ZINC000533812315 564973431 /nfs/dbraw/zinc/97/34/31/564973431.db2.gz RRGKVCOGSQSXHV-UHFFFAOYSA-N 1 0 391.313 2.955 20 0 GFADRO O=C(Nc1nnc(-c2cccc(Cl)c2)s1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000561008269 564981027 /nfs/dbraw/zinc/98/10/27/564981027.db2.gz HFAYPEXVRLIXLB-KRWDZBQOSA-N 1 0 377.901 3.466 20 0 GFADRO Cc1ccc(Br)c(NC(=O)C(=O)N2CCC[N@@H+](C(C)C)CC2)c1 ZINC000534175067 564981998 /nfs/dbraw/zinc/98/19/98/564981998.db2.gz BPVAZGJVQZWDRA-UHFFFAOYSA-N 1 0 382.302 2.639 20 0 GFADRO [NH3+][C@H]1CCc2ncc(NC(=O)NCc3ccccc3Br)cc2C1 ZINC000561053623 564982459 /nfs/dbraw/zinc/98/24/59/564982459.db2.gz UIJPVQKYYQNZOI-ZDUSSCGKSA-N 1 0 375.270 2.982 20 0 GFADRO CS[C@H]1CN(CC(=O)Nc2ccc(Br)cc2C)C[C@H]1[NH+](C)C ZINC000534215732 564982696 /nfs/dbraw/zinc/98/26/96/564982696.db2.gz NIOOKXMNZQNOIH-CABCVRRESA-N 1 0 386.359 2.673 20 0 GFADRO COC(=O)CN1CCC([NH2+][C@H](C)[C@H](OC)c2ccc(Br)cc2)CC1 ZINC000468510673 564985233 /nfs/dbraw/zinc/98/52/33/564985233.db2.gz NJDUFVGSBDPDNM-ACJLOTCBSA-N 1 0 399.329 2.752 20 0 GFADRO [NH3+]C[C@@H]1CC[C@H](NC(=O)NCCNc2ncc(C(F)(F)F)cc2Cl)C1 ZINC000561143175 564985589 /nfs/dbraw/zinc/98/55/89/564985589.db2.gz PGDFFAQZNVNTKU-KOLCDFICSA-N 1 0 379.814 2.592 20 0 GFADRO O=S(=O)(Cc1cccc(Br)c1)NCC[NH+]1CCCCCC1 ZINC000561476523 564996248 /nfs/dbraw/zinc/99/62/48/564996248.db2.gz AFTQYZBVLAIWMP-UHFFFAOYSA-N 1 0 375.332 2.745 20 0 GFADRO CN(C[C@@H]1CCC[N@H+](C)C1)S(=O)(=O)Cc1cccc(Br)c1 ZINC000561511233 564997833 /nfs/dbraw/zinc/99/78/33/564997833.db2.gz CIKBPSKATFBSDC-CQSZACIVSA-N 1 0 375.332 2.553 20 0 GFADRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)S(=O)(=O)Cc1ccccc1Br ZINC000561518195 564997927 /nfs/dbraw/zinc/99/79/27/564997927.db2.gz UXFXMANZFSAAPM-SWLSCSKDSA-N 1 0 375.332 2.551 20 0 GFADRO C[NH+](C)C1(CNS(=O)(=O)c2cc(Br)cc3cccnc32)CCC1 ZINC000561533994 564999530 /nfs/dbraw/zinc/99/95/30/564999530.db2.gz IVKSDEKCPINVAR-UHFFFAOYSA-N 1 0 398.326 2.760 20 0 GFADRO CS[C@H]1CN(S(=O)(=O)Cc2cccc(C(F)(F)F)c2)C[C@H]1[NH+](C)C ZINC000534907412 564999991 /nfs/dbraw/zinc/99/99/91/564999991.db2.gz SSTWGPAOAQLOAB-KGLIPLIRSA-N 1 0 382.473 2.513 20 0 GFADRO CS[C@H]1CN(CC(=O)Nc2ccc(OC(F)(F)F)cc2)C[C@H]1[NH+](C)C ZINC000534951711 565000524 /nfs/dbraw/zinc/00/05/24/565000524.db2.gz INXDODOBWAJBAE-KGLIPLIRSA-N 1 0 377.432 2.501 20 0 GFADRO CCC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1c(F)cccc1OC(F)(F)F ZINC000561542755 565000692 /nfs/dbraw/zinc/00/06/92/565000692.db2.gz DQNXKRRXZADCDD-NSHDSACASA-N 1 0 384.395 2.877 20 0 GFADRO C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)CCOCC(F)(F)C(F)(F)F ZINC000469120615 565006078 /nfs/dbraw/zinc/00/60/78/565006078.db2.gz YURITTZAZYEKCW-SNVBAGLBSA-N 1 0 390.374 2.541 20 0 GFADRO OC[C@@H](C[NH2+]Cc1cnn(-c2ccc(Br)cc2)c1)c1cccnc1 ZINC000561746864 565007928 /nfs/dbraw/zinc/00/79/28/565007928.db2.gz CDDRURIECHWZEF-MRXNPFEDSA-N 1 0 387.281 2.896 20 0 GFADRO C[NH+](C)C1(CNC(=O)c2cncc(I)c2)CCCCC1 ZINC000535228995 565007973 /nfs/dbraw/zinc/00/79/73/565007973.db2.gz FLVQZAXZKLLQHP-UHFFFAOYSA-N 1 0 387.265 2.681 20 0 GFADRO CCC[C@@H]([NH2+]C(C)C)C(=O)N1CCNC(=O)[C@H]1c1cccc(Br)c1 ZINC000502884297 565008548 /nfs/dbraw/zinc/00/85/48/565008548.db2.gz YZDXEBOVERJIGD-HZPDHXFCSA-N 1 0 396.329 2.615 20 0 GFADRO CC[NH+](CC)[C@@H](CNS(=O)(=O)c1cc(C(=O)OC)cs1)CC(C)C ZINC000469218726 565010267 /nfs/dbraw/zinc/01/02/67/565010267.db2.gz NEQQBMINQBTOMM-CQSZACIVSA-N 1 0 376.544 2.570 20 0 GFADRO Cc1ccc(C[NH2+][C@@H](C)Cn2cc(Br)cn2)c(N2CCOCC2)c1 ZINC000469282311 565012229 /nfs/dbraw/zinc/01/22/29/565012229.db2.gz QWCGFUHQYNONDW-HNNXBMFYSA-N 1 0 393.329 2.969 20 0 GFADRO COC(=O)C1CC[NH+](CCCNC(=O)Cc2cc(Cl)ccc2Cl)CC1 ZINC000535516374 565014525 /nfs/dbraw/zinc/01/45/25/565014525.db2.gz PQRIIAZDXJIAGD-UHFFFAOYSA-N 1 0 387.307 2.927 20 0 GFADRO CS[C@H]1CN(C(=O)c2csc(Cc3ccccc3F)n2)C[C@H]1[NH+](C)C ZINC000535543122 565015711 /nfs/dbraw/zinc/01/57/11/565015711.db2.gz QDNGPLGYHMZUAN-CVEARBPZSA-N 1 0 379.526 2.991 20 0 GFADRO CS[C@@H]1CN(S(=O)(=O)c2cc(C(F)(F)F)ccc2C)C[C@@H]1[NH+](C)C ZINC000503244988 565016029 /nfs/dbraw/zinc/01/60/29/565016029.db2.gz UJRZHYXXDGFUNQ-QWHCGFSZSA-N 1 0 382.473 2.680 20 0 GFADRO NS(=O)(=O)CC1CC[NH+](CC/C=C\c2ccc(Br)cc2)CC1 ZINC000535589837 565016490 /nfs/dbraw/zinc/01/64/90/565016490.db2.gz BHCBTVAYQZFDMR-IWQZZHSRSA-N 1 0 387.343 2.853 20 0 GFADRO COC(=O)[C@]1(C)C[N@H+](CC(=O)N(C)Cc2ccccc2Br)C[C@H]1C ZINC000503253574 565016475 /nfs/dbraw/zinc/01/64/75/565016475.db2.gz BLTXQEDBEYOMII-FZKQIMNGSA-N 1 0 397.313 2.539 20 0 GFADRO C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCCCNC(=O)c1ccc(Br)cc1 ZINC000469415157 565017179 /nfs/dbraw/zinc/01/71/79/565017179.db2.gz APLCVMFDEKESRO-KBPBESRZSA-N 1 0 396.329 2.558 20 0 GFADRO CC[C@@H](Cn1cncn1)[NH2+]C[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000562084372 565018041 /nfs/dbraw/zinc/01/80/41/565018041.db2.gz IOMBNRYRFAJNLZ-HOCLYGCPSA-N 1 0 378.318 2.935 20 0 GFADRO C[NH+](C)CCN1C[C@H](C(=O)N[C@H]2CCc3c2ccc(Cl)c3Cl)CC1=O ZINC000469487451 565018506 /nfs/dbraw/zinc/01/85/06/565018506.db2.gz HMPGGEBMAOSIRT-ABAIWWIYSA-N 1 0 384.307 2.507 20 0 GFADRO O=C1CCCN1CCC[NH+]1CCN(Cc2cc(Br)ccc2F)CC1 ZINC000535712929 565018902 /nfs/dbraw/zinc/01/89/02/565018902.db2.gz AHBHSLOGXFVCKG-UHFFFAOYSA-N 1 0 398.320 2.718 20 0 GFADRO CC[NH+]1CCN(CC(=O)Nc2ccc(Cl)cc2OCC(F)(F)F)CC1 ZINC000469519392 565019179 /nfs/dbraw/zinc/01/91/79/565019179.db2.gz RVRMDZYXNQRRQS-UHFFFAOYSA-N 1 0 379.810 2.857 20 0 GFADRO CC(C)(C(=O)NCCC[NH+]1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000562180153 565019491 /nfs/dbraw/zinc/01/94/91/565019491.db2.gz LMWNEEQJKVOZFJ-UHFFFAOYSA-N 1 0 386.945 2.885 20 0 GFADRO CCO[C@@H](CC[NH+](C)C)CNC(=O)c1ccc(Br)c2c1OCCC2 ZINC000469545147 565020091 /nfs/dbraw/zinc/02/00/91/565020091.db2.gz QFGGRNMARXUYPN-ZDUSSCGKSA-N 1 0 399.329 2.861 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)[C@@H]2CC(=O)Nc3ccc(Br)cc32)C[N@@H+]1C1CC1 ZINC000469551068 565020113 /nfs/dbraw/zinc/02/01/13/565020113.db2.gz BVHPFGGXNSJBCV-IFUGULHKSA-N 1 0 392.297 2.616 20 0 GFADRO C[NH+](C)[C@@H]1CCCN(C(=O)C2(c3ccc(I)cc3)CC2)C1 ZINC000503505981 565021909 /nfs/dbraw/zinc/02/19/09/565021909.db2.gz ALSFASOQWVNLDV-OAHLLOKOSA-N 1 0 398.288 2.875 20 0 GFADRO Cc1cc(Br)cc(C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)c1 ZINC000562335715 565024951 /nfs/dbraw/zinc/02/49/51/565024951.db2.gz FUEOOTKROTXYPF-UHFFFAOYSA-N 1 0 377.286 3.473 20 0 GFADRO COCCC[N@H+](C)CCNC(=O)Nc1cc(F)cc(Br)c1F ZINC000562336744 565025076 /nfs/dbraw/zinc/02/50/76/565025076.db2.gz HVZSOONXNBRDLU-UHFFFAOYSA-N 1 0 380.233 2.817 20 0 GFADRO O=C(NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)N[C@H](CO)CC(F)F ZINC000562361803 565025842 /nfs/dbraw/zinc/02/58/42/565025842.db2.gz AFKXRQUCAVRXCH-WFASDCNBSA-N 1 0 375.847 2.792 20 0 GFADRO Cc1[nH]c(=O)c(Br)cc1C(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000503681133 565026201 /nfs/dbraw/zinc/02/62/01/565026201.db2.gz ABUUCQUXBCMRJP-UHFFFAOYSA-N 1 0 378.270 2.850 20 0 GFADRO C[C@H](c1cccc(N2CCCS2(=O)=O)c1)[N@H+](C)C[C@H](O)CC(F)(F)F ZINC000469775253 565027262 /nfs/dbraw/zinc/02/72/62/565027262.db2.gz JVGXPZDQWFOIPG-IUODEOHRSA-N 1 0 380.432 2.533 20 0 GFADRO COC(=O)[C@@H](c1cc(Cl)cc(Cl)c1)N1CCC[N@@H+]([C@@H](C)CO)CC1 ZINC000469866384 565030173 /nfs/dbraw/zinc/03/01/73/565030173.db2.gz PWZWTIVXCAWHLS-BLLLJJGKSA-N 1 0 375.296 2.596 20 0 GFADRO CO[C@@H]1CCN(Cc2cc(Br)c3c(c2)OCCCO3)[C@@H](C[NH3+])C1 ZINC000469879911 565030870 /nfs/dbraw/zinc/03/08/70/565030870.db2.gz HFOHKBJVXSVQBV-ZIAGYGMSSA-N 1 0 385.302 2.549 20 0 GFADRO O=C(Nc1ccc(Cl)c(Cl)c1)N1CC[NH+]([C@@H]2CCNC(=O)CC2)CC1 ZINC000562583626 565034437 /nfs/dbraw/zinc/03/44/37/565034437.db2.gz IZVHHFMSBMHARY-ZDUSSCGKSA-N 1 0 385.295 2.812 20 0 GFADRO C[C@H](CNC(=O)N[C@H](CO)c1ccc(Br)cc1)C[NH+]1CCCC1 ZINC000504080615 565035038 /nfs/dbraw/zinc/03/50/38/565035038.db2.gz SMARTXOLQPDHPY-CZUORRHYSA-N 1 0 384.318 2.514 20 0 GFADRO CSCC[C@@H]([NH3+])C(=O)N1CCC(Oc2cccc(Br)c2)CC1 ZINC000562622352 565035813 /nfs/dbraw/zinc/03/58/13/565035813.db2.gz WLILAGQWIRBFOG-OAHLLOKOSA-N 1 0 387.343 2.899 20 0 GFADRO COc1cc(Br)ccc1C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000470088769 565037909 /nfs/dbraw/zinc/03/79/09/565037909.db2.gz YDKNXLBGNMOBIV-CYBMUJFWSA-N 1 0 385.302 2.688 20 0 GFADRO C[C@H](CO)[N@@H+]1CCCN(C(=O)c2cc(Br)cc3cccnc32)CC1 ZINC000470090795 565038062 /nfs/dbraw/zinc/03/80/62/565038062.db2.gz NPTGJWBLBCDQKS-CYBMUJFWSA-N 1 0 392.297 2.526 20 0 GFADRO O=C(Cc1ccccc1I)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000470173690 565040689 /nfs/dbraw/zinc/04/06/89/565040689.db2.gz MNOOOPNIUOLYHA-HNNXBMFYSA-N 1 0 398.288 2.967 20 0 GFADRO O=C(N[C@@H](CO)c1ccc(Br)cc1)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000504806598 565044420 /nfs/dbraw/zinc/04/44/20/565044420.db2.gz QRNFIALKLKKQML-RDJZCZTQSA-N 1 0 396.329 2.799 20 0 GFADRO C[NH+](C)[C@@]1(CNc2cc(Br)cc(F)c2C(N)=O)CCSC1 ZINC000536685545 565045319 /nfs/dbraw/zinc/04/53/19/565045319.db2.gz YAUQVPMWQGIBFN-CQSZACIVSA-N 1 0 376.295 2.536 20 0 GFADRO C[C@H](CNc1cc(-n2cccn2)nc(N)[nH+]1)Oc1cccc(Br)c1 ZINC000536767548 565046371 /nfs/dbraw/zinc/04/63/71/565046371.db2.gz OMURWLPIMFYALO-LLVKDONJSA-N 1 0 389.257 2.886 20 0 GFADRO CC[NH+](CC)CC(=O)N[C@](C)(CC(=O)OC)c1ccc(Br)cc1 ZINC000505107097 565048739 /nfs/dbraw/zinc/04/87/39/565048739.db2.gz GNUGJMQNEGOPAV-QGZVFWFLSA-N 1 0 385.302 2.685 20 0 GFADRO C[C@@H](Sc1ccccc1Cl)C(=O)N1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000562963740 565049444 /nfs/dbraw/zinc/04/94/44/565049444.db2.gz CHGFCOSSUYBUGQ-TZMCWYRMSA-N 1 0 379.917 2.735 20 0 GFADRO C[C@H](OC[C@H](O)C[NH2+]CC1(CS(C)(=O)=O)CCC1)c1ccc(Cl)cc1 ZINC000563008459 565052149 /nfs/dbraw/zinc/05/21/49/565052149.db2.gz ZFDANXKNPKGDFF-WMLDXEAASA-N 1 0 389.945 2.583 20 0 GFADRO C[N@@H+]1CCO[C@H]2CCN(c3cc(C(F)(F)F)c(Br)cn3)C[C@H]21 ZINC000563035917 565052748 /nfs/dbraw/zinc/05/27/48/565052748.db2.gz IGXDTNMTFZGNFR-NEPJUHHUSA-N 1 0 380.208 2.772 20 0 GFADRO C[C@H]1[NH2+]CC[C@H]1C(=O)NCC1(c2cccc(Br)c2)CCOCC1 ZINC000563064993 565053945 /nfs/dbraw/zinc/05/39/45/565053945.db2.gz YLOIVAMUWXEYSR-CZUORRHYSA-N 1 0 381.314 2.612 20 0 GFADRO COCCCOC1CCN(C(=O)[C@](C)([NH3+])c2ccc(Br)cc2)CC1 ZINC000563081756 565055246 /nfs/dbraw/zinc/05/52/46/565055246.db2.gz ODCQUVGPGIJTRP-GOSISDBHSA-N 1 0 399.329 2.667 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)CCc2cc(F)ccc2Br)CC12CCOCC2 ZINC000563115209 565055814 /nfs/dbraw/zinc/05/58/14/565055814.db2.gz OCGMVYDFDBBZQL-AWEZNQCLSA-N 1 0 399.304 2.735 20 0 GFADRO COC[C@]1(CNC(=O)Cc2csc(-c3ccc(Cl)s3)n2)CCC[NH2+]1 ZINC000563107252 565055927 /nfs/dbraw/zinc/05/59/27/565055927.db2.gz FPVPVQQTRHTYQU-MRXNPFEDSA-N 1 0 385.942 2.952 20 0 GFADRO COCc1cnc(C[NH2+]CCCNC(=O)c2ccc(Br)cc2)s1 ZINC000537295309 565056843 /nfs/dbraw/zinc/05/68/43/565056843.db2.gz MOYJKYJNCDEWKM-UHFFFAOYSA-N 1 0 398.326 2.962 20 0 GFADRO [NH3+][C@H]1CCC[C@@H](CNS(=O)(=O)c2cc(Cl)ccc2Br)C1 ZINC000563130162 565056866 /nfs/dbraw/zinc/05/68/66/565056866.db2.gz UJVOABRAPCBYSH-KOLCDFICSA-N 1 0 381.723 2.898 20 0 GFADRO O=S(=O)(c1ccc(F)cc1Br)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000563130209 565056957 /nfs/dbraw/zinc/05/69/57/565056957.db2.gz VVLTWQXPMFGLHF-RYUDHWBXSA-N 1 0 391.306 2.598 20 0 GFADRO Cc1cc(S(=O)(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)sc1Br ZINC000563130069 565056969 /nfs/dbraw/zinc/05/69/69/565056969.db2.gz QBYHQGKIYSVKIG-XYPYZODXSA-N 1 0 381.361 2.862 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)C(=O)N[C@H](C)C[NH+]1CCC(C)CC1 ZINC000584362392 565077648 /nfs/dbraw/zinc/07/76/48/565077648.db2.gz XPBUBVGRWCSQQC-CQSZACIVSA-N 1 0 396.329 2.933 20 0 GFADRO O=C(NC[C@@H](CO)Cc1cccc(Br)c1)C12CCC[NH+](CCC1)C2 ZINC000635853763 565077842 /nfs/dbraw/zinc/07/78/42/565077842.db2.gz KXWIOIPPMYVSQO-INIZCTEOSA-N 1 0 395.341 2.592 20 0 GFADRO C[C@H](C[NH2+][C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1)c1ccncc1 ZINC000684676830 565079300 /nfs/dbraw/zinc/07/93/00/565079300.db2.gz HQVQFCFKZBCJJG-NEPJUHHUSA-N 1 0 398.326 2.946 20 0 GFADRO O[C@H]1CCC[C@@H]1[NH+]1CCN(Cc2c(F)ccc(Br)c2F)CC1 ZINC000684770606 565082845 /nfs/dbraw/zinc/08/28/45/565082845.db2.gz VUBDRMFCNXWHDR-GJZGRUSLSA-N 1 0 375.257 2.758 20 0 GFADRO O=C(Nc1ccc(SCC[NH+]2CCCCC2)cc1)C1=CCS(=O)(=O)C1 ZINC000636077617 565088902 /nfs/dbraw/zinc/08/89/02/565088902.db2.gz LKRZMLCRVVNQHR-UHFFFAOYSA-N 1 0 380.535 2.558 20 0 GFADRO CC[C@H](C)[C@@H](O)C[NH2+]C[C@H](O)COc1ccc(Cl)cc1Br ZINC000584598828 565089322 /nfs/dbraw/zinc/08/93/22/565089322.db2.gz NLIXFUKRUXVYIW-JKOKRWQUSA-N 1 0 380.710 2.839 20 0 GFADRO C[NH+]1CC2(C1)CCN(C(=O)c1cc(Br)cc(N3CCCC3)c1)C2 ZINC000614034623 565092004 /nfs/dbraw/zinc/09/20/04/565092004.db2.gz YVBOVIYUYJWNCO-UHFFFAOYSA-N 1 0 378.314 2.827 20 0 GFADRO C[C@@H]1COCCN1CC[NH2+]C1(c2cccc(Br)c2)CCOCC1 ZINC000685002530 565092966 /nfs/dbraw/zinc/09/29/66/565092966.db2.gz WHXIMMJIIJREEF-OAHLLOKOSA-N 1 0 383.330 2.765 20 0 GFADRO C[NH+](C)C[C@@]1(O)CCCN(C(=O)c2c(Cl)cccc2Br)C1 ZINC000614071985 565093742 /nfs/dbraw/zinc/09/37/42/565093742.db2.gz XLFPGDHZSJDGTN-HNNXBMFYSA-N 1 0 375.694 2.631 20 0 GFADRO C[NH+](C)C[C@]1(O)CCCN(C(=O)c2cnc(-c3cccc(Cl)c3)s2)C1 ZINC000614071211 565094590 /nfs/dbraw/zinc/09/45/90/565094590.db2.gz PFAWSAYIBYDMLI-GOSISDBHSA-N 1 0 379.913 2.992 20 0 GFADRO O[C@@]1(CNCc2c(F)cncc2Br)CC[N@H+](Cc2ccccc2)C1 ZINC000657373065 565099586 /nfs/dbraw/zinc/09/95/86/565099586.db2.gz OZCHZAUQFJLMGN-GOSISDBHSA-N 1 0 394.288 2.710 20 0 GFADRO C[NH+](C)CCOc1cnccc1CNC(=O)Cc1ccc(Br)s1 ZINC000685198448 565100489 /nfs/dbraw/zinc/10/04/89/565100489.db2.gz CURFOIPGELZCFQ-UHFFFAOYSA-N 1 0 398.326 2.705 20 0 GFADRO CCS(=O)(=O)c1ccc(C[NH2+]Cc2ccc(O[C@@H]3CCOC3)cc2)s1 ZINC000657452213 565101948 /nfs/dbraw/zinc/10/19/48/565101948.db2.gz AWQBHJRZLFTBNL-MRXNPFEDSA-N 1 0 381.519 2.999 20 0 GFADRO CC[NH+](CC)CCS(=O)(=O)N[C@@H](C)Cc1ccccc1Br ZINC000584868120 565102076 /nfs/dbraw/zinc/10/20/76/565102076.db2.gz DBJMLTOJJWETER-ZDUSSCGKSA-N 1 0 377.348 2.641 20 0 GFADRO COc1ccc(Br)cc1C[C@@H](CO)C[NH2+]Cc1cc2n(n1)CCC2 ZINC000657485003 565102937 /nfs/dbraw/zinc/10/29/37/565102937.db2.gz ILXLUHHOMLSAOD-CYBMUJFWSA-N 1 0 394.313 2.541 20 0 GFADRO OC[C@H](C[NH2+]Cc1cnc2n1CCC2)Cc1ccc(F)c(Br)c1 ZINC000657485480 565103492 /nfs/dbraw/zinc/10/34/92/565103492.db2.gz LVLSGCYRWDVNFC-ZDUSSCGKSA-N 1 0 382.277 2.672 20 0 GFADRO CSc1c(F)cccc1NC(=O)C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000657507156 565104820 /nfs/dbraw/zinc/10/48/20/565104820.db2.gz DOPVEGBXDUOIFD-ZDUSSCGKSA-N 1 0 381.498 2.967 20 0 GFADRO CC[C@@H]1C[N@H+](C)CCCN1C(=O)CSc1nnc(-c2cccs2)n1C ZINC000614336247 565108041 /nfs/dbraw/zinc/10/80/41/565108041.db2.gz WBKNFLCIYYPSTL-CYBMUJFWSA-N 1 0 379.555 2.578 20 0 GFADRO C[NH+](C)CCN(Cc1cc2c(c(Br)c1)OCO2)C[C@H]1CCCO1 ZINC000685455816 565108559 /nfs/dbraw/zinc/10/85/59/565108559.db2.gz YTDJGCAGVALDHO-CQSZACIVSA-N 1 0 385.302 2.720 20 0 GFADRO Cc1cc(Br)c(Cl)cc1NC(=O)C(=O)NCC[N@@H+](C)C1CC1 ZINC000657650542 565116631 /nfs/dbraw/zinc/11/66/31/565116631.db2.gz PBIPABHRUSKYRR-UHFFFAOYSA-N 1 0 388.693 2.560 20 0 GFADRO Cc1cc(Br)c(Cl)cc1NC(=O)C(=O)NCC[NH+]1CCCC1 ZINC000657649992 565116708 /nfs/dbraw/zinc/11/67/08/565116708.db2.gz DKLZYRLMOZFREJ-UHFFFAOYSA-N 1 0 388.693 2.561 20 0 GFADRO C[C@@H](Cn1cncn1)NC(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000636689323 565121221 /nfs/dbraw/zinc/12/12/21/565121221.db2.gz WAUAVNKNOZOTPM-XHDPSFHLSA-N 1 0 385.299 2.576 20 0 GFADRO CCN1CCN(C(=O)c2c(O)cnc3c(Br)cccc32)C[C@H]1C ZINC000685797686 565123914 /nfs/dbraw/zinc/12/39/14/565123914.db2.gz KXMWSDNIJIQQOS-LLVKDONJSA-N 1 0 378.270 2.869 20 0 GFADRO CCC[N@@H+]1CC[C@@H](NCc2cc(Br)ccc2O[C@@H](C)C(=O)NC)C1 ZINC000657742311 565126124 /nfs/dbraw/zinc/12/61/24/565126124.db2.gz POAHRRZGFZUAPE-XJKSGUPXSA-N 1 0 398.345 2.536 20 0 GFADRO CC(C)(C)N1C[C@H](C[NH2+]Cc2cc3c(cc2Br)OCO3)CC1=O ZINC000657753548 565126237 /nfs/dbraw/zinc/12/62/37/565126237.db2.gz DBKXPKQYJSBZGI-NSHDSACASA-N 1 0 383.286 2.914 20 0 GFADRO CCCN1CC[C@H]([NH2+]Cc2ccc(Br)cc2N2CCOCC2)C1 ZINC000657741949 565126388 /nfs/dbraw/zinc/12/63/88/565126388.db2.gz KDRKWIATQHOQKJ-KRWDZBQOSA-N 1 0 382.346 2.860 20 0 GFADRO CNC(=O)C(C)(C)CNC(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000636954530 565131409 /nfs/dbraw/zinc/13/14/09/565131409.db2.gz LASZTMSWQQHYBN-CQSZACIVSA-N 1 0 389.327 2.668 20 0 GFADRO CC[C@@H](Cc1ccc(Br)cc1)[NH2+]CCCN(C)S(C)(=O)=O ZINC000657833388 565132646 /nfs/dbraw/zinc/13/26/46/565132646.db2.gz KSFLJQLEZUPKFI-HNNXBMFYSA-N 1 0 377.348 2.641 20 0 GFADRO C[C@@H](Cn1cncn1)[NH2+]CC1(c2ccc(Br)cc2)CCOCC1 ZINC000657863447 565133531 /nfs/dbraw/zinc/13/35/31/565133531.db2.gz FXBFJHHOXAOISR-AWEZNQCLSA-N 1 0 379.302 2.767 20 0 GFADRO COC(=O)c1cc(NC(=O)N[C@@H]2CCC[N@H+](C)C2)c(C)cc1Br ZINC000588339299 565133768 /nfs/dbraw/zinc/13/37/68/565133768.db2.gz LIOPTVIIHRTIEP-LLVKDONJSA-N 1 0 384.274 2.760 20 0 GFADRO CN(C)CC[N@H+](C)CCCNC(=O)c1c(Cl)cccc1Br ZINC000614937245 565139041 /nfs/dbraw/zinc/13/90/41/565139041.db2.gz BWASALXDQDQTJF-UHFFFAOYSA-N 1 0 376.726 2.716 20 0 GFADRO C[C@H](NC(=O)NCc1c(Br)cnn1C)[C@H](c1ccccc1)[NH+](C)C ZINC000637137712 565141565 /nfs/dbraw/zinc/14/15/65/565141565.db2.gz SKTSSFOGTKBZPW-BLLLJJGKSA-N 1 0 394.317 2.673 20 0 GFADRO COc1cc(Br)c(CN2CC[NH+](C[C@@H]3CCCO3)CC2)cc1OC ZINC000588881316 565142888 /nfs/dbraw/zinc/14/28/88/565142888.db2.gz KEZJZJRGVRATFP-HNNXBMFYSA-N 1 0 399.329 2.763 20 0 GFADRO C[C@@H](Cn1cncn1)[NH2+][C@@H](CO)c1ccc(Br)cc1C(F)(F)F ZINC000657999471 565143811 /nfs/dbraw/zinc/14/38/11/565143811.db2.gz INJISBADRJGROU-ZANVPECISA-N 1 0 393.207 2.771 20 0 GFADRO O=C(NC[C@@H]1CCC[NH2+]C1)N1CCc2[nH]c3c(cccc3Br)c2C1 ZINC000637227137 565145470 /nfs/dbraw/zinc/14/54/70/565145470.db2.gz FFJUNOMIJOMWIN-GFCCVEGCSA-N 1 0 391.313 2.998 20 0 GFADRO CCC(C)(C)[NH2+][C@H](C)C(=O)N1CC[C@@H](Oc2cncc(Br)c2)C1 ZINC000615126177 565146136 /nfs/dbraw/zinc/14/61/36/565146136.db2.gz HOTLUGFMOKBRME-TZMCWYRMSA-N 1 0 384.318 2.991 20 0 GFADRO COc1ccc(C[C@H](CO)C[NH2+][C@H]2COC3(CCC3)C2)cc1Br ZINC000658028478 565147171 /nfs/dbraw/zinc/14/71/71/565147171.db2.gz IUGOXIFACUWAMD-LSDHHAIUSA-N 1 0 384.314 2.910 20 0 GFADRO COc1ccc(C[C@@H](CO)C[NH2+][C@@H]2COC3(CCC3)C2)cc1Br ZINC000658028471 565147224 /nfs/dbraw/zinc/14/72/24/565147224.db2.gz IUGOXIFACUWAMD-CABCVRRESA-N 1 0 384.314 2.910 20 0 GFADRO C[C@H](Cc1ccc(Cl)c(C(F)(F)F)c1)[NH2+][C@H]1CCN(S(C)(=O)=O)C1 ZINC000658047060 565148351 /nfs/dbraw/zinc/14/83/51/565148351.db2.gz ORMOIOMIFUSCHO-PWSUYJOCSA-N 1 0 384.851 2.913 20 0 GFADRO CC(C)CN(C(=O)c1cc2ncc(Br)cn2n1)C1CC[NH+](C)CC1 ZINC000637274291 565148799 /nfs/dbraw/zinc/14/87/99/565148799.db2.gz DEEBMNHKNAHUCZ-UHFFFAOYSA-N 1 0 394.317 2.684 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)C(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000658118674 565150120 /nfs/dbraw/zinc/15/01/20/565150120.db2.gz FPWNCQGVKZBKSS-ZDUSSCGKSA-N 1 0 396.329 2.933 20 0 GFADRO CO[C@@H](c1ccccc1)[C@H](C)[NH2+]CCNC(=O)c1ccc(Br)cn1 ZINC000658093509 565150379 /nfs/dbraw/zinc/15/03/79/565150379.db2.gz WVVUHWULRWJVRN-SUMWQHHRSA-N 1 0 392.297 2.940 20 0 GFADRO O=C(NCC[NH2+][C@H]1CCCc2cccnc21)c1ccc(Br)cn1 ZINC000658096070 565150869 /nfs/dbraw/zinc/15/08/69/565150869.db2.gz NMFVCFHEFTYCEQ-AWEZNQCLSA-N 1 0 375.270 2.636 20 0 GFADRO Cc1cc(NC(=O)C(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)cc(C)c1Br ZINC000658126982 565151615 /nfs/dbraw/zinc/15/16/15/565151615.db2.gz SPHSNSVDGQVZBR-CQSZACIVSA-N 1 0 396.329 2.993 20 0 GFADRO C[N@@H+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)c1cc(F)c(F)cc1Br ZINC000615271881 565154370 /nfs/dbraw/zinc/15/43/70/565154370.db2.gz ZGCDDKFVHMTTAI-CABCVRRESA-N 1 0 389.240 2.663 20 0 GFADRO C[N@@H+]1CCC[C@@H]1[C@H]1COCCN1C(=O)c1cc2cc(Br)sc2[nH]1 ZINC000615267859 565154869 /nfs/dbraw/zinc/15/48/69/565154869.db2.gz ZRMZNEMSAIKCTK-CHWSQXEVSA-N 1 0 398.326 2.927 20 0 GFADRO O=C(NCc1cc(F)c(Br)cc1F)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000637422867 565156473 /nfs/dbraw/zinc/15/64/73/565156473.db2.gz JDZLTCBVLHHYGJ-LBPRGKRZSA-N 1 0 386.240 2.883 20 0 GFADRO C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)c1cc(Br)cnc1OCC1CC1 ZINC000615303137 565156721 /nfs/dbraw/zinc/15/67/21/565156721.db2.gz QLZSKZGNISOPIJ-XHDPSFHLSA-N 1 0 382.302 2.798 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000658260173 565156932 /nfs/dbraw/zinc/15/69/32/565156932.db2.gz GVSXRDXFBUILTC-ZDUSSCGKSA-N 1 0 382.302 2.685 20 0 GFADRO O=C(CCn1cc(Br)cn1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000615327749 565157346 /nfs/dbraw/zinc/15/73/46/565157346.db2.gz YIXDAIXGKGMAJE-UHFFFAOYSA-N 1 0 391.313 2.948 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2c(F)cccc2Br)C1 ZINC000658262463 565157422 /nfs/dbraw/zinc/15/74/22/565157422.db2.gz UEZSYHAKFPKPKD-JTQLQIEISA-N 1 0 386.265 2.516 20 0 GFADRO Cc1cc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)ccc1Br ZINC000658260992 565157519 /nfs/dbraw/zinc/15/75/19/565157519.db2.gz LGVLHSXJDLQMGY-CYBMUJFWSA-N 1 0 382.302 2.685 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)NCCC[NH2+]C(C)C ZINC000637451735 565157990 /nfs/dbraw/zinc/15/79/90/565157990.db2.gz GQAYDBQNKLAEAU-UHFFFAOYSA-N 1 0 399.333 2.773 20 0 GFADRO COC(=O)c1sc2ccccc2c1S(=O)(=O)N[C@H](C)C[N@H+](C)C(C)C ZINC000589296768 565160406 /nfs/dbraw/zinc/16/04/06/565160406.db2.gz LHJSAVZIFFPEHP-GFCCVEGCSA-N 1 0 384.523 2.695 20 0 GFADRO [NH3+]C[C@H]1CCN(S(=O)(=O)c2cc(Cl)c(Cl)cc2Br)C1 ZINC000658364895 565161197 /nfs/dbraw/zinc/16/11/97/565161197.db2.gz IDKMHWYJVOVQME-SSDOTTSWSA-N 1 0 388.114 2.725 20 0 GFADRO C[C@H](NS(=O)(=O)c1cc(Cl)ccc1OC(F)(F)F)[C@@H]1CCC[NH2+]C1 ZINC000658365645 565161688 /nfs/dbraw/zinc/16/16/88/565161688.db2.gz UFQIVKOYPHJBGF-VHSXEESVSA-N 1 0 386.823 2.905 20 0 GFADRO CCN(C(=O)C(=O)Nc1cccc(Cl)c1Br)[C@H]1CC[N@H+](C)C1 ZINC000658362629 565161867 /nfs/dbraw/zinc/16/18/67/565161867.db2.gz VVRNKGQJKHKJGT-JTQLQIEISA-N 1 0 388.693 2.594 20 0 GFADRO O=S(=O)(c1cc(Cl)cc(Br)c1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000658369489 565162577 /nfs/dbraw/zinc/16/25/77/565162577.db2.gz ANXLTFYHEIGSFX-NEPJUHHUSA-N 1 0 379.707 2.618 20 0 GFADRO CC[NH2+]CC1CCN(S(=O)(=O)Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000658370225 565162695 /nfs/dbraw/zinc/16/26/95/565162695.db2.gz LGAMNEWNBWPFRJ-UHFFFAOYSA-N 1 0 380.432 2.737 20 0 GFADRO C[NH2+]CCC1CCN(S(=O)(=O)Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000658376453 565163586 /nfs/dbraw/zinc/16/35/86/565163586.db2.gz CXVUAYOQWAVTBT-UHFFFAOYSA-N 1 0 380.432 2.737 20 0 GFADRO CC[C@@H]1CN(S(=O)(=O)c2cc(Cl)ccc2OC(F)(F)F)CC[C@H]1[NH3+] ZINC000658377175 565163832 /nfs/dbraw/zinc/16/38/32/565163832.db2.gz XVLARMUDBCGGOA-MWLCHTKSSA-N 1 0 386.823 2.987 20 0 GFADRO CCCOc1ccc(Br)cc1S(=O)(=O)N[C@H](C)CCC[NH3+] ZINC000658380335 565164805 /nfs/dbraw/zinc/16/48/05/565164805.db2.gz OHWZGIXQZUGNAI-LLVKDONJSA-N 1 0 379.320 2.644 20 0 GFADRO COCc1cc(Cl)cc(S(=O)(=O)N2CCC([C@H]3CCC[NH2+]C3)CC2)c1 ZINC000658385993 565167184 /nfs/dbraw/zinc/16/71/84/565167184.db2.gz YAVPLJQYVQAEBQ-INIZCTEOSA-N 1 0 386.945 2.887 20 0 GFADRO COc1ccc(Cl)c(S(=O)(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)c1 ZINC000658390936 565167220 /nfs/dbraw/zinc/16/72/20/565167220.db2.gz JGKBNWBISVCUTK-NVXWUHKLSA-N 1 0 380.897 2.773 20 0 GFADRO C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1c[nH]c3ncc(Br)cc13)C2 ZINC000615607166 565167253 /nfs/dbraw/zinc/16/72/53/565167253.db2.gz WYHNDVWRILGJOD-QGZVFWFLSA-N 1 0 377.286 2.883 20 0 GFADRO C[NH2+]C[C@@H](C)NS(=O)(=O)c1cc(Br)c(Cl)cc1Cl ZINC000658410255 565168381 /nfs/dbraw/zinc/16/83/81/565168381.db2.gz IJYHVZIVQCUCRR-ZCFIWIBFSA-N 1 0 376.103 2.642 20 0 GFADRO C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CNC(=O)c1ccc(Cl)c(Cl)c1)C2 ZINC000615626326 565169365 /nfs/dbraw/zinc/16/93/65/565169365.db2.gz LCWMHKDJCHQWES-GOSISDBHSA-N 1 0 384.307 2.668 20 0 GFADRO C[NH+]1CCC(O)(CNC(=O)NCc2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000637679082 565169836 /nfs/dbraw/zinc/16/98/36/565169836.db2.gz PFOQMZRDFNKYSC-UHFFFAOYSA-N 1 0 379.810 2.615 20 0 GFADRO O=C(CCn1cc(Br)cn1)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000615760014 565172322 /nfs/dbraw/zinc/17/23/22/565172322.db2.gz CHNKPGMVXXVSTC-QGZVFWFLSA-N 1 0 391.313 2.817 20 0 GFADRO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C ZINC000658502972 565174578 /nfs/dbraw/zinc/17/45/78/565174578.db2.gz WPTDPNAKIUTCFV-OAHLLOKOSA-N 1 0 386.323 2.941 20 0 GFADRO C[NH+](C)CCC1CCN(C(=O)C(=O)NCc2ccc(Cl)c(Cl)c2)CC1 ZINC000658507471 565174590 /nfs/dbraw/zinc/17/45/90/565174590.db2.gz UABDMRTWGRGPBJ-UHFFFAOYSA-N 1 0 386.323 2.800 20 0 GFADRO CN(CCN1CC[NH2+]CC1)C(=O)c1cccc2c(Br)cccc12 ZINC000637835302 565174630 /nfs/dbraw/zinc/17/46/30/565174630.db2.gz KTVWMOABZCDHTG-UHFFFAOYSA-N 1 0 376.298 2.580 20 0 GFADRO CCSc1ccc(CC(=O)N2CCO[C@H]([C@H](C)[NH3+])C2)c(Br)c1 ZINC000637866733 565174755 /nfs/dbraw/zinc/17/47/55/565174755.db2.gz PIFOZBHYOJCWBD-NHYWBVRUSA-N 1 0 387.343 2.678 20 0 GFADRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)NCc1ccc(Cl)c(Cl)c1 ZINC000658516571 565175411 /nfs/dbraw/zinc/17/54/11/565175411.db2.gz YWHXWOFIHNBUHN-LBPRGKRZSA-N 1 0 386.323 2.798 20 0 GFADRO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)c2ccc(I)cc2Cl)C1 ZINC000590044671 565176399 /nfs/dbraw/zinc/17/63/99/565176399.db2.gz LQELQPIJCWSATE-ZANVPECISA-N 1 0 390.652 2.721 20 0 GFADRO CCOc1ccc(Br)cc1S(=O)(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000590068955 565177256 /nfs/dbraw/zinc/17/72/56/565177256.db2.gz DJDVXKFAHPPEDE-LLVKDONJSA-N 1 0 391.331 2.609 20 0 GFADRO CO[C@@H]1C[NH2+][C@](C)(C(=O)NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)C1 ZINC000637929216 565177254 /nfs/dbraw/zinc/17/72/54/565177254.db2.gz WIBGSYKGMXJFOU-PLKZCJTGSA-N 1 0 376.341 2.779 20 0 GFADRO COc1ccc(NC(=O)[C@H](N)C[N@H+](C)Cc2ccccc2)c(Br)c1 ZINC000637974806 565178438 /nfs/dbraw/zinc/17/84/38/565178438.db2.gz SZJIXTBRVSHKHV-MRXNPFEDSA-N 1 0 392.297 2.856 20 0 GFADRO C[C@@H](O)C[N@H+](Cc1cnn2cc(Br)cnc12)Cc1ccccc1 ZINC000637951755 565178656 /nfs/dbraw/zinc/17/86/56/565178656.db2.gz RDCAZJGCOUKETD-CYBMUJFWSA-N 1 0 375.270 2.875 20 0 GFADRO COc1cccc(C[C@H]([NH3+])C(=O)NCc2ccc(OC)c(Br)c2)c1 ZINC000637972739 565179287 /nfs/dbraw/zinc/17/92/87/565179287.db2.gz QSPAOSJUBQGGBD-INIZCTEOSA-N 1 0 393.281 2.653 20 0 GFADRO O=C(Nc1cccc(Br)c1)C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000658647515 565182062 /nfs/dbraw/zinc/18/20/62/565182062.db2.gz KNNAOJHXNPEYJR-OAHLLOKOSA-N 1 0 394.313 2.911 20 0 GFADRO CC[C@@H](C)[NH+]1CCN(C(=O)c2cc(Br)cc3c2OCCO3)CC1 ZINC000615983771 565183745 /nfs/dbraw/zinc/18/37/45/565183745.db2.gz DKJWQTKGNBCKOL-GFCCVEGCSA-N 1 0 383.286 2.777 20 0 GFADRO O=C(CN1CC[NH+](CCC[C@@H]2CCO2)CC1)Nc1ccc(Br)cc1 ZINC000638176571 565187315 /nfs/dbraw/zinc/18/73/15/565187315.db2.gz FFKSBERMEANXAA-QGZVFWFLSA-N 1 0 396.329 2.574 20 0 GFADRO CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2cccc(Cl)c2Br)C1 ZINC000658780253 565187921 /nfs/dbraw/zinc/18/79/21/565187921.db2.gz YXKXTUFIPIUMGQ-SNVBAGLBSA-N 1 0 388.693 2.642 20 0 GFADRO CCC[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2nc(-c3ccc(C)s3)cs2)C1 ZINC000658779873 565188336 /nfs/dbraw/zinc/18/83/36/565188336.db2.gz WTRZPNHKLFNAJL-LBPRGKRZSA-N 1 0 378.523 2.719 20 0 GFADRO COc1ccc(Br)c(CNC(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000616092828 565189526 /nfs/dbraw/zinc/18/95/26/565189526.db2.gz ZTRBXYQHORURBX-UONOGXRCSA-N 1 0 382.302 2.884 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)c2ccc(Br)c(F)c2F)CC12CCOCC2 ZINC000638262680 565189735 /nfs/dbraw/zinc/18/97/35/565189735.db2.gz PJDGHNQTCOYRNR-JTQLQIEISA-N 1 0 389.240 2.555 20 0 GFADRO O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)c1cc(Br)ccc1Br ZINC000638248908 565190008 /nfs/dbraw/zinc/19/00/08/565190008.db2.gz SHXPZYQBRUCVDM-IUCAKERBSA-N 1 0 380.055 2.641 20 0 GFADRO CO[C@@H]1C[NH2+][C@@](C)(C(=O)N2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)C1 ZINC000638293680 565191559 /nfs/dbraw/zinc/19/15/59/565191559.db2.gz NIBXRJDYOMILQM-ZIBATOQPSA-N 1 0 377.432 2.635 20 0 GFADRO Brc1cnc2c(C[NH2+][C@@H]3CCN(Cc4ccccc4)C3)cnn2c1 ZINC000638293781 565191720 /nfs/dbraw/zinc/19/17/20/565191720.db2.gz LBOMMKPQAWBENR-QGZVFWFLSA-N 1 0 386.297 2.856 20 0 GFADRO CN1CC[C@H]([NH2+]Cc2nnc3n2CCC3)C[C@@H]1c1ccc(Br)cc1 ZINC000638346253 565192840 /nfs/dbraw/zinc/19/28/40/565192840.db2.gz GYCYIKNOOGPPAL-JKSUJKDBSA-N 1 0 390.329 2.912 20 0 GFADRO CC(C)CC(=O)N1CCC([NH2+]Cc2cnn3cc(Br)cnc23)CC1 ZINC000638424279 565195740 /nfs/dbraw/zinc/19/57/40/565195740.db2.gz GUFNIYNJEIBZTQ-UHFFFAOYSA-N 1 0 394.317 2.619 20 0 GFADRO CO[C@H](C[NH2+]Cc1cc(Br)c2c(c1)OCCO2)C1CCOCC1 ZINC000638439918 565196295 /nfs/dbraw/zinc/19/62/95/565196295.db2.gz KRQMXAPLCIXEBU-MRXNPFEDSA-N 1 0 386.286 2.752 20 0 GFADRO C[C@H](Cn1cncn1)[NH2+][C@@H]1CCN(C)[C@H](c2ccc(Br)cc2)C1 ZINC000638431750 565196827 /nfs/dbraw/zinc/19/68/27/565196827.db2.gz VWKOBMRPYINXAC-XYPHTWIQSA-N 1 0 378.318 2.854 20 0 GFADRO [NH3+][C@@H]1CN(C(=O)Nc2cnn(-c3ccccc3Br)c2)CC[C@H]1F ZINC000659006163 565198024 /nfs/dbraw/zinc/19/80/24/565198024.db2.gz CNXOLNPFGBDRCI-CHWSQXEVSA-N 1 0 382.237 2.538 20 0 GFADRO [NH3+]C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](Sc2ccc(Br)cc2)C1 ZINC000638474158 565198254 /nfs/dbraw/zinc/19/82/54/565198254.db2.gz PVAIQAKTKZZHGZ-KFWWJZLASA-N 1 0 385.327 2.506 20 0 GFADRO C[NH+](C)C1CCC(NC(=O)[C@@H]2CCO[C@H]2c2cncc(Br)c2)CC1 ZINC000616382831 565199713 /nfs/dbraw/zinc/19/97/13/565199713.db2.gz TVBZUEBBFVRTHT-BACDZXNISA-N 1 0 396.329 2.911 20 0 GFADRO CN1CC[C@@H]([NH2+]CCCn2cncn2)C[C@H]1c1ccc(Br)cc1 ZINC000638530403 565200353 /nfs/dbraw/zinc/20/03/53/565200353.db2.gz UEKWXUCNNLGBTL-SJORKVTESA-N 1 0 378.318 2.856 20 0 GFADRO COCC1(C[NH2+]CCCNC(=O)c2cc(OC)ccc2Br)CCC1 ZINC000638524858 565200601 /nfs/dbraw/zinc/20/06/01/565200601.db2.gz SCLXUHXRWATSSA-UHFFFAOYSA-N 1 0 399.329 2.984 20 0 GFADRO COC(=O)[C@@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1ccc(Br)cc1Cl ZINC000590752723 565200634 /nfs/dbraw/zinc/20/06/34/565200634.db2.gz RKRLYPQLUVMADE-PWSUYJOCSA-N 1 0 389.677 2.972 20 0 GFADRO COc1ccccc1SC[C@H](C)C[NH2+]Cc1ccc(S(N)(=O)=O)s1 ZINC000638545900 565201384 /nfs/dbraw/zinc/20/13/84/565201384.db2.gz WOXMAGDKBJJPHR-GFCCVEGCSA-N 1 0 386.564 2.922 20 0 GFADRO O=C(NCC12CC(C1)C[NH2+]2)C(=O)Nc1cccc(Cl)c1SCC(F)F ZINC000659106792 565201535 /nfs/dbraw/zinc/20/15/35/565201535.db2.gz VYBGALDIUJSKGF-UHFFFAOYSA-N 1 0 389.855 2.504 20 0 GFADRO Cc1cc(Br)c(Cl)cc1NC(=O)C(=O)NCCC[NH2+]C1CC1 ZINC000659088008 565201836 /nfs/dbraw/zinc/20/18/36/565201836.db2.gz SEQBHDUPISRGFQ-UHFFFAOYSA-N 1 0 388.693 2.608 20 0 GFADRO C[NH2+]C[C@H](C)NC(=O)C(=O)Nc1cc(Cl)ccc1SCC(F)(F)F ZINC000659111152 565202454 /nfs/dbraw/zinc/20/24/54/565202454.db2.gz GVUTZVVMBKMTNY-QMMMGPOBSA-N 1 0 383.823 2.657 20 0 GFADRO CN(C)[C@H](C(=O)N1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1)c1cccc(Cl)c1 ZINC000638561637 565203235 /nfs/dbraw/zinc/20/32/35/565203235.db2.gz WNBUWGBKDMPQLW-YUELXQCFSA-N 1 0 377.838 2.928 20 0 GFADRO C[NH+](C)CC[C@@H](N)C(=O)N[C@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC000638595602 565204617 /nfs/dbraw/zinc/20/46/17/565204617.db2.gz IUVKZHNPZCDPJC-ZBFHGGJFSA-N 1 0 393.329 2.703 20 0 GFADRO COCCN1CC[C@H]([NH2+][C@H]2CCN(C)[C@H](c3ccc(Br)cc3)C2)C1 ZINC000638637019 565205400 /nfs/dbraw/zinc/20/54/00/565205400.db2.gz LCMLAPSPAMCSKM-FHWLQOOXSA-N 1 0 396.373 2.895 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+]CCCO[C@H]2CCCc3ccccc32)s1 ZINC000638639362 565205441 /nfs/dbraw/zinc/20/54/41/565205441.db2.gz QLXRNDMJIIIFQI-KRWDZBQOSA-N 1 0 380.535 2.969 20 0 GFADRO COCC[C@](C)(O)C[NH2+][C@H]1CCN(C)[C@H](c2ccc(Br)cc2)C1 ZINC000638612028 565205520 /nfs/dbraw/zinc/20/55/20/565205520.db2.gz RVINRXRPOSCWTH-BZSNNMDCSA-N 1 0 385.346 2.962 20 0 GFADRO C[N@@H+]1CCC[C@H](CNCc2ccc(S(N)(=O)=O)s2)[C@H]1c1cccs1 ZINC000638671126 565206712 /nfs/dbraw/zinc/20/67/12/565206712.db2.gz MBSRHLXJWVQLBY-WBMJQRKESA-N 1 0 385.580 2.630 20 0 GFADRO COC1(C(=O)N2C[C@H](c3ccc(Br)cc3)C[C@H]2C)CC[NH2+]CC1 ZINC000638701199 565208486 /nfs/dbraw/zinc/20/84/86/565208486.db2.gz ZATMICDDMQFCIA-UKRRQHHQSA-N 1 0 381.314 2.922 20 0 GFADRO O=C(CCc1ccc(Br)cc1)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000638778884 565210168 /nfs/dbraw/zinc/21/01/68/565210168.db2.gz NYMVJDXDPFFJBD-GOSISDBHSA-N 1 0 395.341 2.999 20 0 GFADRO CC(C)(C)O[C@@H]1C[C@@H]([NH2+]C[C@H](O)CS(=O)(=O)c2cccs2)C12CCC2 ZINC000638773359 565210402 /nfs/dbraw/zinc/21/04/02/565210402.db2.gz JXJYNIYLZMGCMJ-RRFJBIMHSA-N 1 0 387.567 2.599 20 0 GFADRO C[C@H](C[NH2+][C@H]1CCN(C)[C@@H](c2ccc(Br)cc2)C1)S(C)(=O)=O ZINC000638806408 565212007 /nfs/dbraw/zinc/21/20/07/565212007.db2.gz PWGHZMMNLHWSRV-UHOFOFEASA-N 1 0 389.359 2.607 20 0 GFADRO Cn1cc([C@@H](CO)[NH2+][C@H]2CCN(C)[C@@H](c3ccc(Br)cc3)C2)cn1 ZINC000638814383 565212983 /nfs/dbraw/zinc/21/29/83/565212983.db2.gz YXNBUTFBFJPFPM-RCCFBDPRSA-N 1 0 393.329 2.641 20 0 GFADRO CN(C[C@@H](O)COc1cc(Cl)cc(Cl)c1)C(=O)c1ccc(C[NH3+])cc1 ZINC000638828614 565213199 /nfs/dbraw/zinc/21/31/99/565213199.db2.gz WTUILFJWLDOERN-MRXNPFEDSA-N 1 0 383.275 2.964 20 0 GFADRO CC[C@]1([NH2+]CC(=O)Nc2ccc(I)cc2C)CCOC1 ZINC000616865559 565213859 /nfs/dbraw/zinc/21/38/59/565213859.db2.gz VRAKLBMNMOITQC-HNNXBMFYSA-N 1 0 388.249 2.697 20 0 GFADRO COc1cccc([C@H]([NH3+])C(=O)N[C@@H]2[C@@H]3Cc4c(cccc4Br)[C@@H]32)c1 ZINC000638831405 565214153 /nfs/dbraw/zinc/21/41/53/565214153.db2.gz KPYKGOUHXVZWTM-LAVFITLUSA-N 1 0 387.277 2.912 20 0 GFADRO O=C(CCC1C[NH2+]C1)N1CC2(CCOCC2)c2ccc(Br)cc21 ZINC000638842139 565214562 /nfs/dbraw/zinc/21/45/62/565214562.db2.gz MAFCBQWWOOVINW-UHFFFAOYSA-N 1 0 379.298 2.844 20 0 GFADRO CC(C)([NH3+])c1nocc1C(=O)N[C@@H]1[C@H]2Cc3c(cccc3Br)[C@@H]12 ZINC000638832061 565214602 /nfs/dbraw/zinc/21/46/02/565214602.db2.gz OVNTXWZNLHLOLW-ZLKJLUDKSA-N 1 0 376.254 2.699 20 0 GFADRO O=C(NCc1cccc2c1CC[NH2+]C2)c1cc2c(cc1Br)OCO2 ZINC000638846869 565215265 /nfs/dbraw/zinc/21/52/65/565215265.db2.gz ICZZTRQJXGTKGO-UHFFFAOYSA-N 1 0 389.249 2.754 20 0 GFADRO N[C@@H](C(=O)NCC[C@@H]([NH3+])Cc1ccccc1)c1ccccc1Br ZINC000638878257 565215650 /nfs/dbraw/zinc/21/56/50/565215650.db2.gz ALVPLORGXNQOOG-RHSMWYFYSA-N 1 0 376.298 2.525 20 0 GFADRO COC[C@@]1(C(=O)N[C@H]2CCCCc3cc(Br)ccc32)CC[NH2+]C1 ZINC000659387130 565215929 /nfs/dbraw/zinc/21/59/29/565215929.db2.gz WVRAPLPDUPIFKL-FUHWJXTLSA-N 1 0 381.314 2.959 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)NCC[C@@H]([NH3+])C(C)C ZINC000659447770 565217604 /nfs/dbraw/zinc/21/76/04/565217604.db2.gz UBIFFHYYXRTJAC-CQSZACIVSA-N 1 0 399.333 2.759 20 0 GFADRO [NH3+]C1(CNC(=O)N[C@@H]2CCN(c3ccccc3Br)C2)CCCC1 ZINC000659452952 565217612 /nfs/dbraw/zinc/21/76/12/565217612.db2.gz GQXJJUORGZMHJT-CYBMUJFWSA-N 1 0 381.318 2.599 20 0 GFADRO COc1cc(Br)ccc1CCCNC(=O)NCC1([NH3+])CCCC1 ZINC000659480037 565218195 /nfs/dbraw/zinc/21/81/95/565218195.db2.gz DEUQGWYCWIJCNG-UHFFFAOYSA-N 1 0 384.318 2.961 20 0 GFADRO O=C(NCCOc1ccc2cc(Br)ccc2c1)N[C@H]1CC[NH2+]C1 ZINC000659443149 565218477 /nfs/dbraw/zinc/21/84/77/565218477.db2.gz PGHPDSQTORQYND-HNNXBMFYSA-N 1 0 378.270 2.642 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)c1cccnc1-n1cc(Br)cn1 ZINC000617007297 565219566 /nfs/dbraw/zinc/21/95/66/565219566.db2.gz PZXUOSWLTVZGIY-CYBMUJFWSA-N 1 0 392.301 2.632 20 0 GFADRO O=C(N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)N1CCOc2cc(Br)ccc2C1 ZINC000659558148 565220291 /nfs/dbraw/zinc/22/02/91/565220291.db2.gz XXHVCRUBXGMMRN-JGGQBBKZSA-N 1 0 394.313 2.741 20 0 GFADRO O=C(Nc1cc(F)c(I)c(F)c1)N[C@H]1CCC[NH2+]CC1 ZINC000591284717 565220823 /nfs/dbraw/zinc/22/08/23/565220823.db2.gz ZTLGFGHAXINBBR-QMMMGPOBSA-N 1 0 395.191 2.833 20 0 GFADRO O=C(c1cc(=O)c2cc(Br)ccc2[nH]1)N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000639026065 565220837 /nfs/dbraw/zinc/22/08/37/565220837.db2.gz XDMCYOOYCQPGKB-MEDUHNTESA-N 1 0 390.281 2.505 20 0 GFADRO COC(=O)c1cc(NC(=O)N[C@](C)(C[NH3+])C2CC2)c(Br)cc1F ZINC000591287225 565221224 /nfs/dbraw/zinc/22/12/24/565221224.db2.gz DQTGXZWRIXFNFD-OAHLLOKOSA-N 1 0 388.237 2.624 20 0 GFADRO O=C(NC[C@H]1CCCC[NH2+]1)Nc1ccc(F)cc1I ZINC000591288425 565221873 /nfs/dbraw/zinc/22/18/73/565221873.db2.gz NWMSWJAWCALZRK-SNVBAGLBSA-N 1 0 377.201 2.694 20 0 GFADRO COC(=O)c1cc(NC(=O)N2CC[C@H]([C@@H](C)[NH3+])C2)c(Br)cc1F ZINC000591287346 565221908 /nfs/dbraw/zinc/22/19/08/565221908.db2.gz PTOFLZZFEBHCLD-BDAKNGLRSA-N 1 0 388.237 2.576 20 0 GFADRO COC(=O)c1cc(NC(=O)N2C[C@H](C[NH3+])C[C@H]2C)c(Br)cc1F ZINC000591287371 565222029 /nfs/dbraw/zinc/22/20/29/565222029.db2.gz SHBOCYQEWNJMGW-BDAKNGLRSA-N 1 0 388.237 2.576 20 0 GFADRO CC[C@@H]1CN(C(=O)Nc2ccc(Br)c(C(=O)OC)c2)CC[C@H]1[NH3+] ZINC000591295371 565223025 /nfs/dbraw/zinc/22/30/25/565223025.db2.gz OPNGWGQVLDWLIP-QMTHXVAHSA-N 1 0 384.274 2.827 20 0 GFADRO CCn1c(C[NH2+]C[C@H](OC)[C@H]2CCOC2)nc2cc(Br)ccc21 ZINC000639103498 565225162 /nfs/dbraw/zinc/22/51/62/565225162.db2.gz PJXGWRHDSYNQMO-LRDDRELGSA-N 1 0 382.302 2.960 20 0 GFADRO C[C@H]([NH3+])[C@H]1CN(C(=O)NCCSCc2ccc(Cl)cc2Cl)CCO1 ZINC000591356300 565227463 /nfs/dbraw/zinc/22/74/63/565227463.db2.gz NHEWTCIYFSDFHO-XHDPSFHLSA-N 1 0 392.352 2.984 20 0 GFADRO CC[C@@H](c1ccc(Br)cc1)N1CC[NH+](C[C@H]2CNC(=O)C2)CC1 ZINC000659877027 565228554 /nfs/dbraw/zinc/22/85/54/565228554.db2.gz BNBZOUOXYCIODL-PBHICJAKSA-N 1 0 380.330 2.654 20 0 GFADRO CC(C)(O)C[NH+]1CCC(N[C@@H]2COc3cc(F)c(Br)cc32)CC1 ZINC000639139101 565229272 /nfs/dbraw/zinc/22/92/72/565229272.db2.gz FSCWCNKRQQJUSR-OAHLLOKOSA-N 1 0 387.293 2.847 20 0 GFADRO NS(=O)(=O)c1ccc(CN2CCC[C@@H]2c2ccncc2)cc1Br ZINC000639167284 565229681 /nfs/dbraw/zinc/22/96/81/565229681.db2.gz CQTJLKVHFCGUSG-OAHLLOKOSA-N 1 0 396.310 2.829 20 0 GFADRO CC[C@H](c1ccc(Br)cc1)N1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000591459041 565231326 /nfs/dbraw/zinc/23/13/26/565231326.db2.gz YKBNCPCYINEBNY-FUHWJXTLSA-N 1 0 394.357 2.996 20 0 GFADRO O=C1CCCN1C1CC[NH+](C[C@H](O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000591475392 565231413 /nfs/dbraw/zinc/23/14/13/565231413.db2.gz RNWRAGGASPLZND-AWEZNQCLSA-N 1 0 387.307 2.820 20 0 GFADRO C[C@H]1CCN(c2ncnc3ccc(I)cc32)C[C@@H]1C[NH3+] ZINC000591446036 565231550 /nfs/dbraw/zinc/23/15/50/565231550.db2.gz MWSMFGVTOWNRSK-QWRGUYRKSA-N 1 0 382.249 2.656 20 0 GFADRO COc1nsc(C[NH2+][C@@H]2CC[C@@](O)(C(F)(F)F)C2)c1Br ZINC000639202050 565231893 /nfs/dbraw/zinc/23/18/93/565231893.db2.gz RJYKUNQJAGRCSC-LDWIPMOCSA-N 1 0 375.210 2.850 20 0 GFADRO Brc1cnc2c(C[NH2+][C@@H]3CCO[C@@H](c4ccncc4)C3)cnn2c1 ZINC000639232292 565233244 /nfs/dbraw/zinc/23/32/44/565233244.db2.gz GFEXGIZHLAQKMX-HZPDHXFCSA-N 1 0 388.269 2.897 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)CCCS(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000617343691 565233745 /nfs/dbraw/zinc/23/37/45/565233745.db2.gz XGWYUDXFACFTSG-HNNXBMFYSA-N 1 0 386.945 2.883 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)c2cnc3ncc(Br)cc3c2)C1 ZINC000617345219 565233854 /nfs/dbraw/zinc/23/38/54/565233854.db2.gz ZRSVDTOGADGKKI-AWEZNQCLSA-N 1 0 377.286 2.995 20 0 GFADRO CO[C@H](C)c1nc(CN2CCC[N@H+](CCO[C@@H]3CC3(F)F)CC2)cs1 ZINC000659993750 565235941 /nfs/dbraw/zinc/23/59/41/565235941.db2.gz NANOPCRGYQECQQ-UKRRQHHQSA-N 1 0 375.485 2.782 20 0 GFADRO CS(=O)(=O)CC1(C[NH2+]Cc2c(C(F)(F)F)nc3n2CCCC3)CCC1 ZINC000639270323 565236185 /nfs/dbraw/zinc/23/61/85/565236185.db2.gz PGGAKWIKMUVFEH-UHFFFAOYSA-N 1 0 379.448 2.543 20 0 GFADRO O=C(c1c(F)cccc1I)N(C1CC1)C1CC[NH2+]CC1 ZINC000591680746 565236338 /nfs/dbraw/zinc/23/63/38/565236338.db2.gz DRERYTFGYZCMAO-UHFFFAOYSA-N 1 0 388.224 2.787 20 0 GFADRO CCCN(C(=O)c1c(F)cccc1I)[C@@H]1CC[NH2+]C1 ZINC000591679166 565236551 /nfs/dbraw/zinc/23/65/51/565236551.db2.gz HABRDZCOJSKRDD-SNVBAGLBSA-N 1 0 376.213 2.644 20 0 GFADRO C[NH+](C)CCN(Cc1ccsc1)Cc1ccc(S(N)(=O)=O)c(Cl)c1 ZINC000639259964 565236705 /nfs/dbraw/zinc/23/67/05/565236705.db2.gz YKZCTJUQUMGTSN-UHFFFAOYSA-N 1 0 387.958 2.613 20 0 GFADRO O=C(N[C@@H]1CC12CC[NH2+]CC2)c1ccc(Cl)c(I)c1 ZINC000591685819 565236789 /nfs/dbraw/zinc/23/67/89/565236789.db2.gz RPVLPQZPWGGOBR-GFCCVEGCSA-N 1 0 390.652 2.817 20 0 GFADRO C[NH+](C)C[C@H]1CCCCN1S(=O)(=O)Cc1cc(F)ccc1Br ZINC000660006898 565237785 /nfs/dbraw/zinc/23/77/85/565237785.db2.gz FUXZQTPIQFQGAE-CQSZACIVSA-N 1 0 393.322 2.834 20 0 GFADRO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)[C@H]1CCc2cc(Br)ccc21 ZINC000617502694 565242466 /nfs/dbraw/zinc/24/24/66/565242466.db2.gz YXVRASJFYMVFIK-KSSFIOAISA-N 1 0 396.373 2.867 20 0 GFADRO Brc1ccc(C2([NH2+]C[C@H]3CCc4ncnn43)CCOCC2)cc1 ZINC000639523135 565249439 /nfs/dbraw/zinc/24/94/39/565249439.db2.gz VSVYWTGGNCTJRX-OAHLLOKOSA-N 1 0 377.286 2.823 20 0 GFADRO Cc1ncc(CNC(=O)CC[N@H+](CCCO)Cc2cccc(Cl)c2)s1 ZINC000639552757 565249585 /nfs/dbraw/zinc/24/95/85/565249585.db2.gz IDMIFYLPWUAQMT-UHFFFAOYSA-N 1 0 381.929 2.996 20 0 GFADRO CC(=O)NCC[N@H+](Cc1ccc(Br)s1)C[C@@H]1CCO[C@@H]1C ZINC000639629413 565252721 /nfs/dbraw/zinc/25/27/21/565252721.db2.gz VKDGZDYVMOWOFT-YPMHNXCESA-N 1 0 375.332 2.874 20 0 GFADRO COCC(C)(C)[NH+]1CCN(C[C@H](O)COc2cc(Cl)cc(Cl)c2)CC1 ZINC000639676256 565253359 /nfs/dbraw/zinc/25/33/59/565253359.db2.gz PCSKSJGLYYBGLE-INIZCTEOSA-N 1 0 391.339 2.776 20 0 GFADRO Cc1cc(C(C)(C)[NH2+]C[C@@H](O)CC2(O)CCOCC2)ccc1Br ZINC000639648375 565253688 /nfs/dbraw/zinc/25/36/88/565253688.db2.gz IEPSBYVMYWVEEK-HNNXBMFYSA-N 1 0 386.330 2.875 20 0 GFADRO COc1ccc(Br)cc1C1([NH2+]C[C@H](O)C[C@@](C)(O)C2CC2)CC1 ZINC000639692026 565255261 /nfs/dbraw/zinc/25/52/61/565255261.db2.gz AUOYTMXLDOKIPK-RHSMWYFYSA-N 1 0 384.314 2.948 20 0 GFADRO COCC[N@@H+]1CCC[C@@H](NC(=O)CCCOc2cccc(Br)c2)C1 ZINC000592100445 565255450 /nfs/dbraw/zinc/25/54/50/565255450.db2.gz BGXMWWKEMBBIQB-MRXNPFEDSA-N 1 0 399.329 2.835 20 0 GFADRO CN(CCC[NH+](C)C)CCNC(=O)c1cc(Cl)cc(F)c1Br ZINC000617764151 565256813 /nfs/dbraw/zinc/25/68/13/565256813.db2.gz KWODLRDMICHLKS-UHFFFAOYSA-N 1 0 394.716 2.855 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)NCC[C@@H](C)[NH+](C)C ZINC000617752331 565257456 /nfs/dbraw/zinc/25/74/56/565257456.db2.gz MIJLXDNYQOBAPK-HUUCEWRRSA-N 1 0 386.583 2.807 20 0 GFADRO C[NH+](C)C[C@@]1(O)CCCN(Cc2ncc(-c3cccc(Br)c3)o2)C1 ZINC000639761350 565258684 /nfs/dbraw/zinc/25/86/84/565258684.db2.gz HADOXKCYXKLTDP-SFHVURJKSA-N 1 0 394.313 2.993 20 0 GFADRO C[NH+](C)C[C@H]1COC2(CCCC2)CN1S(=O)(=O)c1ccc(F)c(Cl)c1 ZINC000660149205 565259888 /nfs/dbraw/zinc/25/98/88/565259888.db2.gz BNDQFAMFUAWZHK-ZDUSSCGKSA-N 1 0 390.908 2.743 20 0 GFADRO Cn1cc(Br)cc(NC(=O)N2CCC(C)([NH+]3CCCC3)CC2)c1=O ZINC000639786342 565261555 /nfs/dbraw/zinc/26/15/55/565261555.db2.gz JDMLXOVYYYNCHB-UHFFFAOYSA-N 1 0 397.317 2.630 20 0 GFADRO CCO[C@@H]1C[C@@H]([NH2+]CC(=O)Nc2cc(Cl)c(OC)cc2OC)[C@@H]1SC ZINC000592174228 565261953 /nfs/dbraw/zinc/26/19/53/565261953.db2.gz IXDMNPLCNNKLMI-VMGRFDJRSA-N 1 0 388.917 2.794 20 0 GFADRO O=S(=O)(NC[C@@H]1CCC[N@H+](CC2CC2)C1)c1ccc(C(F)(F)F)nc1 ZINC000660181130 565263746 /nfs/dbraw/zinc/26/37/46/565263746.db2.gz YOAZSRRTBDYNQJ-ZDUSSCGKSA-N 1 0 377.432 2.501 20 0 GFADRO C[C@H](C[NH+](C)C)[C@@H]1CCCCN1C(=O)Nc1nnc(CC(F)(F)F)s1 ZINC000639829918 565264735 /nfs/dbraw/zinc/26/47/35/565264735.db2.gz IDWNALREGRSXPQ-MNOVXSKESA-N 1 0 379.452 3.227 20 0 GFADRO CO[C@H](C[NH2+][C@H](C)c1cc2c(cc1Br)OCCO2)[C@H]1CCOC1 ZINC000660186438 565265065 /nfs/dbraw/zinc/26/50/65/565265065.db2.gz ADFHGBOHKFSJHV-BWACUDIHSA-N 1 0 386.286 2.922 20 0 GFADRO C[N@H+](C[C@@H](O)COc1cc(Cl)cc(Cl)c1)C[C@H]1CCNC(=O)CC1 ZINC000639918499 565266830 /nfs/dbraw/zinc/26/68/30/565266830.db2.gz LXIBTNGYGRCGRO-IUODEOHRSA-N 1 0 375.296 2.581 20 0 GFADRO C[C@@H]1CCN(Cc2csc(-c3ccc(S(C)(=O)=O)cc3)n2)[C@H](CO)C1 ZINC000639937312 565268536 /nfs/dbraw/zinc/26/85/36/565268536.db2.gz VDEKYCNGCJAHOD-CJNGLKHVSA-N 1 0 380.535 2.806 20 0 GFADRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1cnn(-c2ccc(Br)cc2)c1 ZINC000618028898 565271721 /nfs/dbraw/zinc/27/17/21/565271721.db2.gz OCXBPSZGXSTSES-IRXDYDNUSA-N 1 0 389.297 2.991 20 0 GFADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1cc(OC)c(Br)cn1 ZINC000639969165 565271689 /nfs/dbraw/zinc/27/16/89/565271689.db2.gz ZTGBTHJJCPQUEY-NEPJUHHUSA-N 1 0 383.290 2.943 20 0 GFADRO O=C(CCOc1cccc(Cl)c1Cl)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000592410752 565275070 /nfs/dbraw/zinc/27/50/70/565275070.db2.gz LSPOABRCRXDFIN-HUUCEWRRSA-N 1 0 387.307 2.820 20 0 GFADRO O=C(N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)C1(c2ccc(Br)cc2)CC1 ZINC000592406937 565275510 /nfs/dbraw/zinc/27/55/10/565275510.db2.gz SYRIMIFTNLIQNQ-SJORKVTESA-N 1 0 393.325 2.538 20 0 GFADRO CC(=O)NCCN(Cc1ccc(Cl)cc1Cl)C[C@@H](O)C[N@@H+](C)C(C)C ZINC000660483018 565277779 /nfs/dbraw/zinc/27/77/79/565277779.db2.gz JASJSGUERFNZCX-KRWDZBQOSA-N 1 0 390.355 2.633 20 0 GFADRO O=C(NCc1cccc(Br)c1)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000660503059 565279016 /nfs/dbraw/zinc/27/90/16/565279016.db2.gz JFFCLHGCQDJEDZ-INIZCTEOSA-N 1 0 382.302 2.502 20 0 GFADRO C[C@@H](CCc1ccc(I)cc1)CC(=O)N1CC[C@H]([NH3+])C1 ZINC000592468793 565279029 /nfs/dbraw/zinc/27/90/29/565279029.db2.gz IXMYKPGZLAFLKR-WFASDCNBSA-N 1 0 386.277 2.810 20 0 GFADRO COCc1c(Br)cccc1NC(=O)c1cnn2c1[C@@H](C[NH3+])CCC2 ZINC000592500152 565279823 /nfs/dbraw/zinc/27/98/23/565279823.db2.gz DWXJBIBJMLJUAE-LLVKDONJSA-N 1 0 393.285 2.880 20 0 GFADRO CC1(C)C[NH2+][C@H]1C(=O)N1CCC[C@@H]1c1ccccc1I ZINC000592533161 565280989 /nfs/dbraw/zinc/28/09/89/565280989.db2.gz UJMFKXDQZCBKJT-KGLIPLIRSA-N 1 0 384.261 2.953 20 0 GFADRO CC1(C)C[NH2+][C@@H]1C(=O)N1CCC[C@@H]1c1ccccc1I ZINC000592533164 565281261 /nfs/dbraw/zinc/28/12/61/565281261.db2.gz UJMFKXDQZCBKJT-ZIAGYGMSSA-N 1 0 384.261 2.953 20 0 GFADRO O=C(N[C@H]1CC[NH2+]C12CCCC2)c1cc(F)ccc1I ZINC000592571365 565282372 /nfs/dbraw/zinc/28/23/72/565282372.db2.gz XUPNBLAYSJCPIG-ZDUSSCGKSA-N 1 0 388.224 2.835 20 0 GFADRO COC(=O)c1cc(NC(=O)[C@@H]2C[C@H]2C2CC[NH2+]CC2)cc(Br)c1F ZINC000592567327 565282409 /nfs/dbraw/zinc/28/24/09/565282409.db2.gz RMISFCDHTZWYIO-NWDGAFQWSA-N 1 0 399.260 2.949 20 0 GFADRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)N1CCOc2cc(Br)ccc2C1 ZINC000660571648 565284348 /nfs/dbraw/zinc/28/43/48/565284348.db2.gz ONQUVAPEBSDJNG-HOTGVXAUSA-N 1 0 394.313 2.980 20 0 GFADRO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)CCCSc1ccc(Cl)cc1 ZINC000618302122 565285146 /nfs/dbraw/zinc/28/51/46/565285146.db2.gz FWNMVFXZCROLSF-UHFFFAOYSA-N 1 0 385.961 2.691 20 0 GFADRO CC[N@@H+]1CCCN(C[C@H](O)COc2cc(F)cc(Br)c2)[C@@H](C)C1 ZINC000660788334 565293615 /nfs/dbraw/zinc/29/36/15/565293615.db2.gz YHKAGAYDGBXAHN-BBRMVZONSA-N 1 0 389.309 2.744 20 0 GFADRO COCC[NH+]1CCC(NC(=O)N2Cc3ccc(C)c(Br)c3C2)CC1 ZINC000660837414 565294843 /nfs/dbraw/zinc/29/48/43/565294843.db2.gz LWFLBVQSTWSLFQ-UHFFFAOYSA-N 1 0 396.329 2.894 20 0 GFADRO O=C(C[N@H+]1CCC[C@H](CCO)CC1)c1c[nH]c2ncc(Br)cc12 ZINC000660837182 565295187 /nfs/dbraw/zinc/29/51/87/565295187.db2.gz JCHUSDJZWZCCDG-LBPRGKRZSA-N 1 0 380.286 2.993 20 0 GFADRO C[NH+](C)[C@]1(CNC(=O)NCc2cc(F)ccc2OC(F)F)CCSC1 ZINC000660824405 565295688 /nfs/dbraw/zinc/29/56/88/565295688.db2.gz NHRGXRBEUQHHSZ-INIZCTEOSA-N 1 0 377.432 2.664 20 0 GFADRO CCCN(C(=O)c1ccc(I)c(F)c1)[C@H]1CC[N@H+](C)C1 ZINC000592830126 565299859 /nfs/dbraw/zinc/29/98/59/565299859.db2.gz BSOMGTWMQDCDJT-LBPRGKRZSA-N 1 0 390.240 2.987 20 0 GFADRO OCC1([C@@H]([NH2+]Cc2cn3cc(Br)ccc3n2)C2CC2)CCOCC1 ZINC000661082395 565306025 /nfs/dbraw/zinc/30/60/25/565306025.db2.gz NQPWCEFLVMYGME-KRWDZBQOSA-N 1 0 394.313 2.754 20 0 GFADRO CC(C)Oc1cc(NC(=O)NC[C@@H]2C[N@H+](C)CCN2C)ccc1Br ZINC000640440653 565308275 /nfs/dbraw/zinc/30/82/75/565308275.db2.gz DXKHVTNQJQAPNR-CQSZACIVSA-N 1 0 399.333 2.604 20 0 GFADRO COC[C@@H]([NH2+]C[C@@H](O)COc1cc(Cl)ccc1Cl)C1CCOCC1 ZINC000661160823 565311338 /nfs/dbraw/zinc/31/13/38/565311338.db2.gz OGFNNEHRHCHPRR-GDBMZVCRSA-N 1 0 378.296 2.764 20 0 GFADRO COC[C@@H]([NH2+]C[C@@H](O)COc1ccc(Cl)c(Cl)c1)C1CCOCC1 ZINC000661159491 565311817 /nfs/dbraw/zinc/31/18/17/565311817.db2.gz GHJRNTQKUFKOHN-CXAGYDPISA-N 1 0 378.296 2.764 20 0 GFADRO C[C@H](CCN1C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C1)OCc1ccccc1 ZINC000661190749 565312688 /nfs/dbraw/zinc/31/26/88/565312688.db2.gz HWEAGMSMYLWSLC-KBMXLJTQSA-N 1 0 379.444 2.889 20 0 GFADRO CCC(C)(C)[C@H](C)[NH2+]CC(=O)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1 ZINC000661235511 565315024 /nfs/dbraw/zinc/31/50/24/565315024.db2.gz OHLWWNRHQRMJPC-GJZGRUSLSA-N 1 0 386.583 2.678 20 0 GFADRO C[N@H+](CC(=O)N1CCOC[C@H]1c1cccc(Br)c1)[C@@H]1CCSC1 ZINC000618773541 565315937 /nfs/dbraw/zinc/31/59/37/565315937.db2.gz MMCUUUILOWRZAD-CVEARBPZSA-N 1 0 399.354 2.786 20 0 GFADRO O=C(Cn1cc(CC[NH+]2CCCCC2)nn1)Nc1ccc(Br)cc1 ZINC000640753969 565324262 /nfs/dbraw/zinc/32/42/62/565324262.db2.gz GCHNJVCJLUJWNO-UHFFFAOYSA-N 1 0 392.301 2.708 20 0 GFADRO C[C@@H]1CCC[N@H+](CC(=O)N(C)Cc2ccccc2Br)[C@H]1CCO ZINC000661484450 565326162 /nfs/dbraw/zinc/32/61/62/565326162.db2.gz HFQWKPKKDLIJEO-PBHICJAKSA-N 1 0 383.330 2.890 20 0 GFADRO C[C@H](C(=O)Nc1cc(Cl)ccc1Cl)n1cc([C@@H]([NH3+])[C@H]2CCCO2)nn1 ZINC000640801144 565328557 /nfs/dbraw/zinc/32/85/57/565328557.db2.gz ARIWBNOEQKUQLG-DFKRKDTASA-N 1 0 384.267 2.963 20 0 GFADRO C[C@H](C(=O)Nc1ccc(Br)cc1)n1cc([C@H]2CCC[NH2+]C2)nn1 ZINC000640801666 565328842 /nfs/dbraw/zinc/32/88/42/565328842.db2.gz WBPZZLKVNQVLON-NEPJUHHUSA-N 1 0 378.274 2.707 20 0 GFADRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)CCn2cc(Br)cn2)C1 ZINC000619166711 565331155 /nfs/dbraw/zinc/33/11/55/565331155.db2.gz AFHLQJVBNWRIMD-YOEHRIQHSA-N 1 0 391.313 2.987 20 0 GFADRO COc1cc(Br)c(Cn2cc(C[C@@H]3CCC[NH2+]C3)nn2)cc1OC ZINC000640861189 565332854 /nfs/dbraw/zinc/33/28/54/565332854.db2.gz YWICCHCIJWZHPE-LBPRGKRZSA-N 1 0 395.301 2.648 20 0 GFADRO C[C@H](C(=O)Nc1ccccc1Br)n1cc([C@H]2CCC[NH2+]C2)nn1 ZINC000640901065 565334950 /nfs/dbraw/zinc/33/49/50/565334950.db2.gz ICSIMNGMECPZDJ-NEPJUHHUSA-N 1 0 378.274 2.707 20 0 GFADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000619336808 565336777 /nfs/dbraw/zinc/33/67/77/565336777.db2.gz NURYLUGOCFTGKP-KRWDZBQOSA-N 1 0 397.361 2.617 20 0 GFADRO CCCCc1noc(Cn2cc([C@@H]([NH3+])c3ccc(Br)cc3)nn2)n1 ZINC000640921895 565337248 /nfs/dbraw/zinc/33/72/48/565337248.db2.gz LKKSCHCQDAYOLC-INIZCTEOSA-N 1 0 391.273 2.863 20 0 GFADRO C[NH2+][C@H](C)c1cn([C@H](C)C(=O)N(C)Cc2ccc(Br)cc2)nn1 ZINC000640924307 565337363 /nfs/dbraw/zinc/33/73/63/565337363.db2.gz AINLRLPMLAFPKI-VXGBXAGGSA-N 1 0 380.290 2.541 20 0 GFADRO [NH3+][C@H](c1cn(Cc2noc(C3CCC3)n2)nn1)c1ccc(Br)cc1 ZINC000640950951 565338876 /nfs/dbraw/zinc/33/88/76/565338876.db2.gz WSVIXXYVFNADGK-HNNXBMFYSA-N 1 0 389.257 2.788 20 0 GFADRO CS[C@H]1CN(C(=O)c2cnc(-c3ccccc3Cl)nc2)C[C@@H]1[NH+](C)C ZINC000593562417 565341873 /nfs/dbraw/zinc/34/18/73/565341873.db2.gz VPUFRTIZBQYZHJ-HOTGVXAUSA-N 1 0 376.913 2.915 20 0 GFADRO CS[C@@H]1CN(C(=O)c2nscc2Br)C[C@@H]1[NH+]1CCCC1 ZINC000593604153 565346530 /nfs/dbraw/zinc/34/65/30/565346530.db2.gz XQRMIZLXLQTFRG-WDEREUQCSA-N 1 0 376.345 2.557 20 0 GFADRO CSc1cc(NC(=O)C(=O)NCC2(SC)CC[NH+](C)CC2)ccc1C ZINC000593629520 565349211 /nfs/dbraw/zinc/34/92/11/565349211.db2.gz AHAQUOOLPDGTNG-UHFFFAOYSA-N 1 0 381.567 2.599 20 0 GFADRO CC[NH+](CC)[C@H](CNS(=O)(=O)Cc1cc(OC)ns1)c1ccccc1 ZINC000641259306 565356759 /nfs/dbraw/zinc/35/67/59/565356759.db2.gz PHZSURJIHBIWKE-MRXNPFEDSA-N 1 0 383.539 2.654 20 0 GFADRO CN(CC(=O)Nc1ccc(Br)cn1)Cc1cccc2c1CC[NH2+]C2 ZINC000662260767 565358293 /nfs/dbraw/zinc/35/82/93/565358293.db2.gz CFFRSFIFDVJQQJ-UHFFFAOYSA-N 1 0 389.297 2.560 20 0 GFADRO COc1ncc(Br)cc1CN1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000662286580 565359212 /nfs/dbraw/zinc/35/92/12/565359212.db2.gz QVCUQPREZNFRSB-RCBQFDQVSA-N 1 0 384.318 2.571 20 0 GFADRO NC(=O)[C@H](c1ccc(Br)cc1)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662291136 565359221 /nfs/dbraw/zinc/35/92/21/565359221.db2.gz BKSBJAUCVILDBY-WBVHZDCISA-N 1 0 380.330 2.687 20 0 GFADRO NC(=O)[C@H](c1ccc(Br)cc1)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662291135 565359432 /nfs/dbraw/zinc/35/94/32/565359432.db2.gz BKSBJAUCVILDBY-RDJZCZTQSA-N 1 0 380.330 2.687 20 0 GFADRO NC(=O)[C@H](c1ccc(Br)cc1F)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662291784 565359443 /nfs/dbraw/zinc/35/94/43/565359443.db2.gz KHOOAPJEPJYDFT-DYVFJYSZSA-N 1 0 398.320 2.826 20 0 GFADRO C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)N(C)[C@@H](C[NH3+])C(F)(F)F ZINC000662328006 565360427 /nfs/dbraw/zinc/36/04/27/565360427.db2.gz AKFWWSNVNXKBGN-MFKMUULPSA-N 1 0 396.251 2.617 20 0 GFADRO C[NH+](C)CCN(Cc1ccc(F)cc1F)S(=O)(=O)C[C@]1(C)CC1(F)F ZINC000641300458 565360901 /nfs/dbraw/zinc/36/09/01/565360901.db2.gz BYNAKVBITMNUAS-HNNXBMFYSA-N 1 0 382.423 2.704 20 0 GFADRO C[NH+](C)CCC[C@H]1CN(Cc2nnc(-c3ccc(Br)o3)o2)CCO1 ZINC000662317958 565360972 /nfs/dbraw/zinc/36/09/72/565360972.db2.gz UTOKVGZYDPFHRB-LBPRGKRZSA-N 1 0 399.289 2.635 20 0 GFADRO C[NH+](C)C1CC(NC(=O)CCC[S@](=O)c2ccc(Br)cc2)C1 ZINC000619879694 565362163 /nfs/dbraw/zinc/36/21/63/565362163.db2.gz RRKVHJRCUROVHC-PZEOVBFPSA-N 1 0 387.343 2.546 20 0 GFADRO CCC[N@@H+]1CC[C@@H](NC(=O)[C@]23CCC(=O)N2c2cc(Cl)ccc2S3)C1 ZINC000619895525 565362318 /nfs/dbraw/zinc/36/23/18/565362318.db2.gz UNOHEPDBQIWNFN-FZKQIMNGSA-N 1 0 379.913 2.869 20 0 GFADRO CCC[N@@H+]1CC[C@@H](NC(=O)c2cc(=O)[nH]c3c(Br)cccc23)C1 ZINC000619901036 565362520 /nfs/dbraw/zinc/36/25/20/565362520.db2.gz KNKWFDOAQMWDOL-LLVKDONJSA-N 1 0 378.270 2.917 20 0 GFADRO COc1ccc([C@@H](C)NC(=O)c2c[nH]nc2[C@H]2CC[NH2+]C2)cc1Br ZINC000662357119 565362952 /nfs/dbraw/zinc/36/29/52/565362952.db2.gz ZLOIDQATDNVNNT-PWSUYJOCSA-N 1 0 393.285 2.749 20 0 GFADRO COc1cc(CS(=O)(=O)N(CC[NH+]2CCCC2)c2ccccc2)sn1 ZINC000641348594 565363844 /nfs/dbraw/zinc/36/38/44/565363844.db2.gz PHNCPFILQNVCIG-UHFFFAOYSA-N 1 0 381.523 2.584 20 0 GFADRO N[C@H](C(=O)NCC[N@@H+]1CCc2ccccc2C1)c1ccccc1Br ZINC000662378139 565364907 /nfs/dbraw/zinc/36/49/07/565364907.db2.gz ZWEANGAJRNUWQC-SFHVURJKSA-N 1 0 388.309 2.623 20 0 GFADRO C[C@H](CNC(=O)c1sc2c(c1Br)CNC2)[N@@H+]1CCC[C@@H](C)C1 ZINC000662387171 565364949 /nfs/dbraw/zinc/36/49/49/565364949.db2.gz IUNPPTHYADURHP-GHMZBOCLSA-N 1 0 386.359 2.964 20 0 GFADRO Cc1cnc([C@@H](NS(=O)(=O)c2cccc3c2CCN(C)C3)C2CC2)s1 ZINC000641356739 565365593 /nfs/dbraw/zinc/36/55/93/565365593.db2.gz ZUEXISZSVGQIPL-KRWDZBQOSA-N 1 0 377.535 2.869 20 0 GFADRO O=C(c1cnnn1C1CC[NH2+]CC1)N1CCc2c(ccc(Cl)c2Cl)C1 ZINC000662437051 565367247 /nfs/dbraw/zinc/36/72/47/565367247.db2.gz IOJMAYPZZALDMB-UHFFFAOYSA-N 1 0 380.279 2.708 20 0 GFADRO CC(C)C[C@H](C[NH3+])CC(=O)NCCCNC(=O)c1cccc(Br)c1 ZINC000662434693 565367728 /nfs/dbraw/zinc/36/77/28/565367728.db2.gz VJJHYZZIGHXPBS-AWEZNQCLSA-N 1 0 398.345 2.696 20 0 GFADRO CC[C@@H]([NH2+]C)C(=O)N1CCC(C(=O)Nc2ccccc2Br)CC1 ZINC000662438197 565367749 /nfs/dbraw/zinc/36/77/49/565367749.db2.gz VHHIVVTXYXNARG-CQSZACIVSA-N 1 0 382.302 2.624 20 0 GFADRO O=C(NCCc1ccc(Cl)cc1Cl)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC000662436027 565367881 /nfs/dbraw/zinc/36/78/81/565367881.db2.gz KWMAFUISBHVKEC-AWEZNQCLSA-N 1 0 382.295 2.872 20 0 GFADRO O=C(c1sc2c(c1Br)CNC2)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000662470066 565369781 /nfs/dbraw/zinc/36/97/81/565369781.db2.gz CBXLGOIYWGVKLF-LLVKDONJSA-N 1 0 384.343 2.672 20 0 GFADRO [NH3+]C[C@@H]1OCC[C@@H]1C(=O)Nc1nc2ccc(OCC(F)(F)F)cc2s1 ZINC000662484808 565371288 /nfs/dbraw/zinc/37/12/88/565371288.db2.gz KTXGCOBCCZUBOG-ONGXEEELSA-N 1 0 375.372 2.540 20 0 GFADRO C[C@@H](Cc1ccccc1Br)NC(=O)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC000662499599 565372243 /nfs/dbraw/zinc/37/22/43/565372243.db2.gz DOUOJJQVNLSYGD-AAEUAGOBSA-N 1 0 377.286 2.610 20 0 GFADRO O=C(c1cc(-c2cccc(Br)c2)no1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000662514037 565373341 /nfs/dbraw/zinc/37/33/41/565373341.db2.gz CVJMZYABQLTCDL-QGZVFWFLSA-N 1 0 376.254 2.930 20 0 GFADRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)Cc1ccc(Br)c(Br)c1 ZINC000662513740 565373983 /nfs/dbraw/zinc/37/39/83/565373983.db2.gz FQKWRAXQOYZHJR-VHSXEESVSA-N 1 0 390.119 2.963 20 0 GFADRO O=C(NCCOCc1ccc(Cl)cc1Cl)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC000662513317 565374036 /nfs/dbraw/zinc/37/40/36/565374036.db2.gz YZJYKBWHKCXKDF-NSHDSACASA-N 1 0 383.279 2.740 20 0 GFADRO CC[C@H]([NH2+]C)C(=O)Nc1cc(Cl)c(NC(=O)c2cnccn2)c(Cl)c1 ZINC000662531467 565375150 /nfs/dbraw/zinc/37/51/50/565375150.db2.gz GAZBZXSUANFXHZ-LBPRGKRZSA-N 1 0 382.251 2.972 20 0 GFADRO C[C@@H]1CC2(CN1C(=O)c1cc(Br)cc3c1OCCO3)CC[NH2+]CC2 ZINC000662579982 565378021 /nfs/dbraw/zinc/37/80/21/565378021.db2.gz LTIORYLJUGIURY-GFCCVEGCSA-N 1 0 395.297 2.825 20 0 GFADRO C[NH2+]Cc1ccccc1CNC(=O)c1cc(Br)cc2c1OCCO2 ZINC000662584889 565378390 /nfs/dbraw/zinc/37/83/90/565378390.db2.gz QQHLGMHFFHFNRV-UHFFFAOYSA-N 1 0 391.265 2.870 20 0 GFADRO Cc1cc(C(=O)NCC2([NH3+])CCCC2)nn1-c1ccc(Br)cc1 ZINC000662649538 565380895 /nfs/dbraw/zinc/38/08/95/565380895.db2.gz HWJWHEKHZKWURG-UHFFFAOYSA-N 1 0 377.286 2.945 20 0 GFADRO O=C(Nc1ccc([C@@H]2C[NH2+]CCO2)cc1)c1n[nH]c(C2CC2)c1Br ZINC000662687757 565382491 /nfs/dbraw/zinc/38/24/91/565382491.db2.gz KAAMOPGWSNDZFB-ZDUSSCGKSA-N 1 0 391.269 2.963 20 0 GFADRO N[C@H](C(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1)c1ccccc1Br ZINC000662684959 565382521 /nfs/dbraw/zinc/38/25/21/565382521.db2.gz MDSDURZHMVPTTD-SJORKVTESA-N 1 0 390.281 2.749 20 0 GFADRO [NH3+][C@@H](Cc1ccccc1)C(=O)N1CCOc2cc(Br)ccc2C1 ZINC000662741578 565383517 /nfs/dbraw/zinc/38/35/17/565383517.db2.gz NVQGSAXTLWCHKG-INIZCTEOSA-N 1 0 375.266 2.740 20 0 GFADRO CC(C)([NH3+])c1cc(C(=O)N[C@@H]2CCN(c3ccc(Br)cc3)C2)on1 ZINC000662715707 565383715 /nfs/dbraw/zinc/38/37/15/565383715.db2.gz VHVKGCBYGBJQEU-GFCCVEGCSA-N 1 0 393.285 2.640 20 0 GFADRO COc1cc(C[NH2+]Cc2ccc(C(N)=O)cc2)cc(Br)c1OC ZINC000620436309 565383956 /nfs/dbraw/zinc/38/39/56/565383956.db2.gz IVBPVLLKOIOQQD-UHFFFAOYSA-N 1 0 379.254 2.855 20 0 GFADRO C[C@@H](C(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1)c1cccc(Br)c1 ZINC000620477546 565384791 /nfs/dbraw/zinc/38/47/91/565384791.db2.gz KHQLBBZOYJXFDL-DYVFJYSZSA-N 1 0 381.314 2.610 20 0 GFADRO Cc1cc(C)c(Br)c(C(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)c1 ZINC000620478283 565385250 /nfs/dbraw/zinc/38/52/50/565385250.db2.gz ANZRHHHJZIGQTK-HNNXBMFYSA-N 1 0 381.314 2.737 20 0 GFADRO O=C(CCc1cc(Br)ccc1F)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000620480690 565386466 /nfs/dbraw/zinc/38/64/66/565386466.db2.gz IWBDRRACVOQGCJ-MRXNPFEDSA-N 1 0 399.304 2.578 20 0 GFADRO C[C@@H](C[NH+](C)C)[C@@H]1CCCCN1S(=O)(=O)c1ncccc1Br ZINC000641622870 565386547 /nfs/dbraw/zinc/38/65/47/565386547.db2.gz CWSQYCDRNJQGES-JSGCOSHPSA-N 1 0 390.347 2.585 20 0 GFADRO CC[N@H+](C)Cc1cccc(CNC(=O)CCn2cc(Br)cn2)c1 ZINC000620534046 565387791 /nfs/dbraw/zinc/38/77/91/565387791.db2.gz IQONGSNQDQWKRF-UHFFFAOYSA-N 1 0 379.302 2.804 20 0 GFADRO CC[NH+](CC)C[C@H](C)NC(=O)NCC(=O)Nc1ccc(Br)cc1C ZINC000620550561 565388677 /nfs/dbraw/zinc/38/86/77/565388677.db2.gz JUTPJLYKPPXNIJ-ZDUSSCGKSA-N 1 0 399.333 2.726 20 0 GFADRO O=C([C@@H]1CC12CC[NH2+]CC2)N1CCOC[C@@H]1c1cccc(Br)c1 ZINC000662885477 565389723 /nfs/dbraw/zinc/38/97/23/565389723.db2.gz ZNDSKUJTZWDESJ-JKSUJKDBSA-N 1 0 379.298 2.739 20 0 GFADRO CN(CCCC[NH+]1CCCCC1)S(=O)(=O)c1cccnc1C(F)(F)F ZINC000641698088 565395395 /nfs/dbraw/zinc/39/53/95/565395395.db2.gz QCCLDBCIESMXBZ-UHFFFAOYSA-N 1 0 379.448 2.987 20 0 GFADRO C[C@@H]1CN(C(=O)C2CC[NH+]([C@H]3CCSC3)CC2)C[C@@H](CC(F)(F)F)O1 ZINC000620805601 565398406 /nfs/dbraw/zinc/39/84/06/565398406.db2.gz MNIPZHUNNDABNR-VHDGCEQUSA-N 1 0 380.476 2.772 20 0 GFADRO Cc1ccc(I)cc1NC(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000594523825 565398522 /nfs/dbraw/zinc/39/85/22/565398522.db2.gz DVRXTYSYRIRGIR-VIFPVBQESA-N 1 0 387.143 2.611 20 0 GFADRO C[C@@H]1CN(C(=O)C2CC[NH+]([C@H]3CCSC3)CC2)C[C@H](CC(F)(F)F)O1 ZINC000620805600 565398607 /nfs/dbraw/zinc/39/86/07/565398607.db2.gz MNIPZHUNNDABNR-SNPRPXQTSA-N 1 0 380.476 2.772 20 0 GFADRO CC(C)([NH3+])CCNC(=O)C(=O)Nc1ccc(C(F)(F)F)cc1Br ZINC000641821546 565399745 /nfs/dbraw/zinc/39/97/45/565399745.db2.gz JZXPVBRFFYNYKK-UHFFFAOYSA-N 1 0 396.207 2.650 20 0 GFADRO CC[C@@H]1CN(C(=O)c2cnn(-c3cccc(Br)c3)c2)C[C@H](C)[NH2+]1 ZINC000620903722 565400765 /nfs/dbraw/zinc/40/07/65/565400765.db2.gz ZXJINNCKIDZZHB-SWLSCSKDSA-N 1 0 377.286 2.847 20 0 GFADRO C[NH+](C)C[C@@H]1COC2(CCCC2)CN1C(=O)c1ncccc1Br ZINC000620913155 565401032 /nfs/dbraw/zinc/40/10/32/565401032.db2.gz WZYBZNDIERZIHI-CYBMUJFWSA-N 1 0 382.302 2.560 20 0 GFADRO CN(C)[C@@H](C[NH2+]C[C@@H](O)COc1cccc(Br)c1)c1ccco1 ZINC000641938092 565401881 /nfs/dbraw/zinc/40/18/81/565401881.db2.gz KMFUIIQGWBDKNL-ZBFHGGJFSA-N 1 0 383.286 2.674 20 0 GFADRO CC(C)[C@@H]1CN(C(=O)c2cnn(-c3ccc(Br)cc3)c2)CC[NH2+]1 ZINC000621152476 565408551 /nfs/dbraw/zinc/40/85/51/565408551.db2.gz XQWKJWXCBFNYAU-INIZCTEOSA-N 1 0 377.286 2.705 20 0 GFADRO CC(C)[NH2+][C@H]1CCCN(CCS(=O)(=O)c2ccc(Br)cc2)C1 ZINC000594745889 565414422 /nfs/dbraw/zinc/41/44/22/565414422.db2.gz MMKPZQGUXGERCG-HNNXBMFYSA-N 1 0 389.359 2.685 20 0 GFADRO CCC[N@@H+](CC(=O)NCC(=O)Nc1ccccc1Br)CC(C)C ZINC000621293588 565415926 /nfs/dbraw/zinc/41/59/26/565415926.db2.gz VQNXCLFYTSSTJK-UHFFFAOYSA-N 1 0 384.318 2.872 20 0 GFADRO O=S(=O)(N[C@H]1CC[N@H+](CC2CC2)C1)c1ccc(Br)cc1Cl ZINC000594774902 565419049 /nfs/dbraw/zinc/41/90/49/565419049.db2.gz HOTINQDWLLLURU-LBPRGKRZSA-N 1 0 393.734 2.865 20 0 GFADRO CCCc1ccc(C[NH2+]Cc2ccc(S(=O)(=O)NCCOC)cc2)s1 ZINC000621331638 565420608 /nfs/dbraw/zinc/42/06/08/565420608.db2.gz ILELSMTWFAFUOD-UHFFFAOYSA-N 1 0 382.551 2.915 20 0 GFADRO Brc1cccc(Cc2noc(CN3CC[C@@H]4CC[NH2+][C@@H]4C3)n2)c1 ZINC000643067118 565421051 /nfs/dbraw/zinc/42/10/51/565421051.db2.gz YCPXWFLXGABMJX-DZGCQCFKSA-N 1 0 377.286 2.607 20 0 GFADRO CN(C)S(=O)(=O)CC[NH2+][C@H]1CCCSc2ccc(Br)cc21 ZINC000663448961 565421201 /nfs/dbraw/zinc/42/12/01/565421201.db2.gz MZSGFSGKCVUOSC-ZDUSSCGKSA-N 1 0 393.372 2.857 20 0 GFADRO COC(=O)c1c(Cl)cccc1S(=O)(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000594792357 565422063 /nfs/dbraw/zinc/42/20/63/565422063.db2.gz PUGSAFZORIZMFN-LBPRGKRZSA-N 1 0 388.917 2.525 20 0 GFADRO CC(=O)N1CC[C@@H]([NH2+]Cc2cn(-c3cccc(Br)c3)nc2C)C1 ZINC000621388236 565422991 /nfs/dbraw/zinc/42/29/91/565422991.db2.gz TYUSDZQONWJNSZ-MRXNPFEDSA-N 1 0 377.286 2.654 20 0 GFADRO O[C@H](C[NH2+][C@@H]1CCCSc2ccc(Br)cc21)Cn1ccnn1 ZINC000663449892 565423104 /nfs/dbraw/zinc/42/31/04/565423104.db2.gz UAURHOBOOPJKJJ-TZMCWYRMSA-N 1 0 383.315 2.618 20 0 GFADRO Cc1c(S(=O)(=O)N(C)C[C@H]2CCC[N@@H+]2C)cnn1-c1ccc(Cl)cc1 ZINC000643223027 565425740 /nfs/dbraw/zinc/42/57/40/565425740.db2.gz OYRPFEQDXZRGIQ-MRXNPFEDSA-N 1 0 382.917 2.549 20 0 GFADRO O[C@H]1CCC[C@@H]1[NH+]1CCN(Cc2nc3ccc(Br)cc3o2)CC1 ZINC000643369393 565431420 /nfs/dbraw/zinc/43/14/20/565431420.db2.gz QMYFQDOPZWDZQN-GJZGRUSLSA-N 1 0 380.286 2.621 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)CC[C@H]1CCC[NH2+]C1 ZINC000621630716 565434113 /nfs/dbraw/zinc/43/41/13/565434113.db2.gz KSBUZTPCGMFANV-CQSZACIVSA-N 1 0 396.329 2.982 20 0 GFADRO O=S1(=O)CC[C@@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)c2cc(Br)ccc21 ZINC000643500596 565434478 /nfs/dbraw/zinc/43/44/78/565434478.db2.gz IJXKNMNYVIAYCJ-RLCAUIQDSA-N 1 0 385.327 2.540 20 0 GFADRO COC(=O)[C@@H]1C[C@H]1[C@H](C)[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000594930777 565435836 /nfs/dbraw/zinc/43/58/36/565435836.db2.gz IUTBRDIBJJRUAY-VBNZEHGJSA-N 1 0 397.313 2.573 20 0 GFADRO [NH3+][C@@]12CCC[C@@H]1CN(C(=O)c1nn(-c3ccc(F)cc3)cc1Br)C2 ZINC000621681636 565436994 /nfs/dbraw/zinc/43/69/94/565436994.db2.gz VMJBLNIDPYXJPY-PIGZYNQJSA-N 1 0 393.260 2.727 20 0 GFADRO [NH3+][C@@]12CCC[C@@H]1CN(C(=O)c1ccc(-n3cc(Br)cn3)cc1)C2 ZINC000621694792 565437333 /nfs/dbraw/zinc/43/73/33/565437333.db2.gz MEFZQXOESFREJB-CXAGYDPISA-N 1 0 375.270 2.588 20 0 GFADRO COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]C[C@@H](CO)Cc1ccc(C)c(Br)c1 ZINC000594958756 565438465 /nfs/dbraw/zinc/43/84/65/565438465.db2.gz OYQODCXGZDLUFL-ARLBYUKCSA-N 1 0 384.314 2.696 20 0 GFADRO Cc1nccnc1C[N@@H+]1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000621712612 565438621 /nfs/dbraw/zinc/43/86/21/565438621.db2.gz JGSNKKSHJANGPD-ZDUSSCGKSA-N 1 0 390.285 2.793 20 0 GFADRO CC(C)(C[NH2+]Cc1cccc(I)c1)[C@@]1(O)CCCOC1 ZINC000594995367 565440624 /nfs/dbraw/zinc/44/06/24/565440624.db2.gz IVDCNKGAIBTMAY-MRXNPFEDSA-N 1 0 389.277 2.949 20 0 GFADRO [NH3+][C@]12CCC[C@H]1CN(Cc1nc(Cc3cccc(Br)c3)no1)C2 ZINC000621782230 565440741 /nfs/dbraw/zinc/44/07/41/565440741.db2.gz NSOGSEALQGVPMM-GUYCJALGSA-N 1 0 377.286 2.736 20 0 GFADRO C[C@H]1CN(CC[NH2+][C@@H]2CCc3ccc(I)cc32)CCO1 ZINC000595011660 565442063 /nfs/dbraw/zinc/44/20/63/565442063.db2.gz KNYWRXQJNVBWGN-BLLLJJGKSA-N 1 0 386.277 2.589 20 0 GFADRO C[C@@H]1CN(CC[NH2+][C@H]2CCc3ccc(I)cc32)CCO1 ZINC000595011664 565442413 /nfs/dbraw/zinc/44/24/13/565442413.db2.gz KNYWRXQJNVBWGN-WBMJQRKESA-N 1 0 386.277 2.589 20 0 GFADRO O=C(C[NH2+][C@@H]1CCc2ccc(I)cc21)NCC(F)(F)F ZINC000595007580 565442746 /nfs/dbraw/zinc/44/27/46/565442746.db2.gz MSGWLZYRAPACAC-LLVKDONJSA-N 1 0 398.166 2.547 20 0 GFADRO NC(=O)C1CCC([NH2+][C@@H]2CCc3ccc(I)cc32)CC1 ZINC000595018459 565443993 /nfs/dbraw/zinc/44/39/93/565443993.db2.gz AUXORBAMKOXYON-ABIUDSBCSA-N 1 0 384.261 2.912 20 0 GFADRO C[S@@](=O)C1(C[NH2+][C@H]2CCc3ccc(I)cc32)CC1 ZINC000595037581 565444443 /nfs/dbraw/zinc/44/44/43/565444443.db2.gz BOTKSUNPMDEJQW-SCLBCKFNSA-N 1 0 375.275 2.779 20 0 GFADRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)NCC(F)(F)c1ccc(Br)cc1 ZINC000621851108 565444719 /nfs/dbraw/zinc/44/47/19/565444719.db2.gz LVYJCYURGJWLDD-GHMZBOCLSA-N 1 0 376.245 2.920 20 0 GFADRO COCCn1cc(C[NH2+][C@H]2CCc3ccc(I)cc32)cn1 ZINC000595039468 565444714 /nfs/dbraw/zinc/44/47/14/565444714.db2.gz PGAWXFMOWJCOGF-INIZCTEOSA-N 1 0 397.260 2.911 20 0 GFADRO COC(=O)CC(C)(C)C[C@H](C)[NH2+]C1CCN(S(=O)(=O)C(C)(C)C)CC1 ZINC000595037646 565444844 /nfs/dbraw/zinc/44/48/44/565444844.db2.gz BCUAPIMNQNLELD-AWEZNQCLSA-N 1 0 376.563 2.537 20 0 GFADRO CS(=O)(=O)N1CCCC[C@H]1C[NH2+][C@@H](Cc1ccncc1)c1cccs1 ZINC000643893588 565450781 /nfs/dbraw/zinc/45/07/81/565450781.db2.gz DEYMVMVOFMSDJS-IRXDYDNUSA-N 1 0 379.551 2.831 20 0 GFADRO C[NH+]1CCC2(CCCN2C(=O)c2cc3c(cc2Br)OCO3)CC1 ZINC000621939790 565450833 /nfs/dbraw/zinc/45/08/33/565450833.db2.gz PUPLXXHLXMWELI-UHFFFAOYSA-N 1 0 381.270 2.878 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)N1CCOC[C@H]1c1ccc(Br)cc1 ZINC000664131129 565453574 /nfs/dbraw/zinc/45/35/74/565453574.db2.gz YFVNOFAZICWUIA-WBVHZDCISA-N 1 0 394.313 2.769 20 0 GFADRO C[C@@H]1CCCN(C(=O)c2ccc(-n3cc(Br)cn3)cc2)[C@H]1C[NH3+] ZINC000644063698 565455925 /nfs/dbraw/zinc/45/59/25/565455925.db2.gz TZRFWWDEIAUDJZ-WBMJQRKESA-N 1 0 377.286 2.834 20 0 GFADRO CC1(C)C[NH2+][C@H]1C(=O)N1CCC(C(=O)Nc2ccccc2Br)CC1 ZINC000644057371 565456120 /nfs/dbraw/zinc/45/61/20/565456120.db2.gz LMENMVDSXOMCNR-HNNXBMFYSA-N 1 0 394.313 2.624 20 0 GFADRO COc1cc2[nH+]ccc(N3CCC[C@](CO)(OC)C3)c2cc1Br ZINC000664253318 565456595 /nfs/dbraw/zinc/45/65/95/565456595.db2.gz CHEOMCUWAKEPJD-KRWDZBQOSA-N 1 0 381.270 2.984 20 0 GFADRO COCc1n[nH]c(CNc2c(C)c(C)[nH+]c3ccc(Br)cc32)n1 ZINC000664278288 565457339 /nfs/dbraw/zinc/45/73/39/565457339.db2.gz PYROPTHLKUKFJO-UHFFFAOYSA-N 1 0 376.258 2.913 20 0 GFADRO O=C(Nc1ccc(I)cc1F)[C@H]1C[NH2+]CCC1(F)F ZINC000595255315 565458738 /nfs/dbraw/zinc/45/87/38/565458738.db2.gz ORYRRXVZEGUKGC-MRVPVSSYSA-N 1 0 384.139 2.614 20 0 GFADRO O=C(c1ccc(-n2cc(Br)cn2)cc1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000644128405 565459889 /nfs/dbraw/zinc/45/98/89/565459889.db2.gz RJNGOQJDTPXRBL-SFHVURJKSA-N 1 0 389.297 2.851 20 0 GFADRO C[C@H](NC(=O)Cn1cc2c(n1)[C@H]([NH3+])CCC2)c1ccc(Br)cc1 ZINC000644167775 565461734 /nfs/dbraw/zinc/46/17/34/565461734.db2.gz NAVAHDLHCDYYDE-XHDPSFHLSA-N 1 0 377.286 2.859 20 0 GFADRO CN(C)Cc1ccc(NC(=O)[C@@H]2C[NH2+]CCC2(F)F)cc1Br ZINC000644151582 565461886 /nfs/dbraw/zinc/46/18/86/565461886.db2.gz ZACWBAFEHGAJPM-LBPRGKRZSA-N 1 0 376.245 2.694 20 0 GFADRO C[NH+](C)C(C)(C)CNC(=O)C(=O)Nc1ccc(OC(F)(F)F)cc1Cl ZINC000664584825 565468344 /nfs/dbraw/zinc/46/83/44/565468344.db2.gz UWWHXISOYIPZGN-UHFFFAOYSA-N 1 0 381.782 2.634 20 0 GFADRO C[N@H+]1C[C@H]2[C@@H](CCN2S(=O)(=O)c2ccc3nc(C(C)(C)C)sc3c2)C1 ZINC000644303769 565471101 /nfs/dbraw/zinc/47/11/01/565471101.db2.gz XHWAQMDUWKFOCJ-WFASDCNBSA-N 1 0 379.551 2.918 20 0 GFADRO CC(=O)Nc1ccc(OC[C@@H](O)C[NH2+]Cc2sccc2Br)cc1 ZINC000644532326 565480695 /nfs/dbraw/zinc/48/06/95/565480695.db2.gz PLQWFTLRZWNCEL-ZDUSSCGKSA-N 1 0 399.310 2.999 20 0 GFADRO O=C(NCC[NH2+]C[C@@H](O)COc1c(Cl)cccc1Cl)c1cccs1 ZINC000644523998 565480896 /nfs/dbraw/zinc/48/08/96/565480896.db2.gz HFMFEHDPSTVPAK-LLVKDONJSA-N 1 0 389.304 2.814 20 0 GFADRO COC(=O)[C@@H]1C[N@H+](Cc2cc(OC)no2)C[C@H]1c1ccc(Br)cc1 ZINC000595548277 565482947 /nfs/dbraw/zinc/48/29/47/565482947.db2.gz CAANRAVZIHLDFP-LSDHHAIUSA-N 1 0 395.253 2.834 20 0 GFADRO CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+]C[C@H](O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000644573395 565483136 /nfs/dbraw/zinc/48/31/36/565483136.db2.gz ZUXHZJWBUZUJRP-SGMGOOAPSA-N 1 0 396.336 2.679 20 0 GFADRO O[C@H](C[NH2+][C@H]1CCN(c2ccccn2)C1)COc1ccc(Cl)c(Cl)c1 ZINC000644608384 565483504 /nfs/dbraw/zinc/48/35/04/565483504.db2.gz HJKVLWSSESQNBR-UONOGXRCSA-N 1 0 382.291 2.997 20 0 GFADRO C[C@H](Cc1cc(Br)ccc1F)[NH2+]C[C@@H](O)COC1CCOCC1 ZINC000644609294 565483958 /nfs/dbraw/zinc/48/39/58/565483958.db2.gz ZNGWOSNLHIMANK-IUODEOHRSA-N 1 0 390.293 2.665 20 0 GFADRO O[C@H](C[NH2+][C@@H]1CCN(c2ccccn2)C1)COc1cc(Cl)ccc1Cl ZINC000644608480 565484137 /nfs/dbraw/zinc/48/41/37/565484137.db2.gz PZEGZZOVOGFCHT-HUUCEWRRSA-N 1 0 382.291 2.997 20 0 GFADRO O[C@@H](C[NH2+][C@@H]1CCN(c2ccccn2)C1)COc1ccc(Cl)cc1Cl ZINC000644608318 565484230 /nfs/dbraw/zinc/48/42/30/565484230.db2.gz APOJKPPYNSPILJ-CABCVRRESA-N 1 0 382.291 2.997 20 0 GFADRO CSC1(CNC(=O)N2C[C@@H](C)O[C@H](CC(F)(F)F)C2)CC[NH+](C)CC1 ZINC000595636710 565485815 /nfs/dbraw/zinc/48/58/15/565485815.db2.gz SPLHWUSHNLNAEC-CHWSQXEVSA-N 1 0 383.480 2.565 20 0 GFADRO CC(C)OCC[C@@H](O)C[NH2+]Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000644633745 565486646 /nfs/dbraw/zinc/48/66/46/565486646.db2.gz YFWDSHOGVJPAEI-QGZVFWFLSA-N 1 0 382.302 2.900 20 0 GFADRO Cc1nc(CNC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)sc1Br ZINC000644657031 565487621 /nfs/dbraw/zinc/48/76/21/565487621.db2.gz YBUCCXPXWVJZLZ-OAHLLOKOSA-N 1 0 396.354 2.723 20 0 GFADRO C[C@@H](c1ncc(Br)cn1)N1C[C@@H]2COC[C@]2(C(=O)OC(C)(C)C)C1 ZINC000595721006 565489012 /nfs/dbraw/zinc/48/90/12/565489012.db2.gz TZUHFCWKPMZDHO-XWCIJXRUSA-N 1 0 398.301 2.590 20 0 GFADRO [NH3+]CCOc1ccc(NC(=O)c2nc(C3CC3)ncc2Br)cc1 ZINC000623065814 565492613 /nfs/dbraw/zinc/49/26/13/565492613.db2.gz PNNIUMWTHMRXCL-UHFFFAOYSA-N 1 0 377.242 2.706 20 0 GFADRO Cc1c(C(=O)NC[C@H](C)C[NH+](C)C)cnn1-c1cccc(Br)c1 ZINC000644810257 565494893 /nfs/dbraw/zinc/49/48/93/565494893.db2.gz YDDPKUGLQZRERQ-LBPRGKRZSA-N 1 0 379.302 2.871 20 0 GFADRO O=[S@@](CCN1CCC([N@@H+]2CC[C@H](O)C2)CC1)c1cc(Cl)ccc1Cl ZINC000595864538 565494851 /nfs/dbraw/zinc/49/48/51/565494851.db2.gz BRMPQZBFJDDCLU-OWJWWREXSA-N 1 0 391.364 2.632 20 0 GFADRO C[C@@H]1CSc2ccc(Br)cc2[C@@H]1NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000665292220 565495968 /nfs/dbraw/zinc/49/59/68/565495968.db2.gz WEKBIIWUJCGTQX-JDNHERCYSA-N 1 0 395.326 2.976 20 0 GFADRO CCn1nccc1C(=O)Nc1cc(Br)ccc1N(C)CC[NH+](C)C ZINC000644834669 565497296 /nfs/dbraw/zinc/49/72/96/565497296.db2.gz MMQQIXOXHKOWAO-UHFFFAOYSA-N 1 0 394.317 2.916 20 0 GFADRO COC(=O)c1sc(NC(=O)[C@@]2(C(F)(F)F)CC[NH2+]C2)nc1C(C)(C)C ZINC000595936340 565500212 /nfs/dbraw/zinc/50/02/12/565500212.db2.gz BEGASDMPWLZRKZ-CQSZACIVSA-N 1 0 379.404 2.708 20 0 GFADRO COc1cc2[nH+]ccc(N[C@H](C)[C@@H]3CN(C)CCO3)c2cc1Br ZINC000644872455 565500611 /nfs/dbraw/zinc/50/06/11/565500611.db2.gz CMHBRNSAIROIAN-DIFFPNOSSA-N 1 0 380.286 2.559 20 0 GFADRO [NH3+][C@@H]1CCC[C@H]1CC(=O)Nc1nc2cc(I)ccc2[nH]1 ZINC000595948495 565501119 /nfs/dbraw/zinc/50/11/19/565501119.db2.gz LTBHJUSNFFPOKS-WCBMZHEXSA-N 1 0 384.221 2.624 20 0 GFADRO CCOC(=O)[C@]1(C)CCC[C@H]1NC(=O)[C@@](C)([NH3+])c1ccc(Br)cc1 ZINC000595950253 565502534 /nfs/dbraw/zinc/50/25/34/565502534.db2.gz RWCNLXCXJPBGGR-OLMNPRSZSA-N 1 0 397.313 2.861 20 0 GFADRO COc1cc(Br)ccc1CCC[N@@H+]1CCc2cnc(N)nc2C1 ZINC000623292819 565503476 /nfs/dbraw/zinc/50/34/76/565503476.db2.gz BIZYVVHIDBLRMN-UHFFFAOYSA-N 1 0 377.286 2.821 20 0 GFADRO Cc1cc(C[NH2+]C2CCN(C(=O)c3ccncc3)CC2)ncc1Br ZINC000623365066 565506230 /nfs/dbraw/zinc/50/62/30/565506230.db2.gz AVWRZIONEULCIN-UHFFFAOYSA-N 1 0 389.297 2.942 20 0 GFADRO C[NH+](C)CCCNC(=O)NCc1c(F)c(F)c(Br)c(F)c1F ZINC000644994586 565506974 /nfs/dbraw/zinc/50/69/74/565506974.db2.gz OPOLHARMBOOTJF-UHFFFAOYSA-N 1 0 386.187 2.756 20 0 GFADRO COc1ccc(Br)c(CNC(=O)NC[C@@H]2CCCC[N@H+](C)C2)c1 ZINC000623437339 565511043 /nfs/dbraw/zinc/51/10/43/565511043.db2.gz AQVXPFPYTAJSIX-ZDUSSCGKSA-N 1 0 384.318 2.989 20 0 GFADRO Cn1nc2cc(Br)ccc2c1C(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000645111593 565512908 /nfs/dbraw/zinc/51/29/08/565512908.db2.gz AZAYYXRLHFVSBQ-WFASDCNBSA-N 1 0 391.313 2.940 20 0 GFADRO Cc1cc(C[NH2+]C[C@@H](Cc2ccc(F)cc2)C(N)=O)ncc1Br ZINC000623478352 565513128 /nfs/dbraw/zinc/51/31/28/565513128.db2.gz ITMCWZDJWHBJRU-CYBMUJFWSA-N 1 0 380.261 2.725 20 0 GFADRO CC(C)(O)CC[NH2+]Cc1cc(Cl)cc(Cl)c1OCCN1CCOCC1 ZINC000623496127 565514781 /nfs/dbraw/zinc/51/47/81/565514781.db2.gz JCDIFYOMTUXLRX-UHFFFAOYSA-N 1 0 391.339 2.955 20 0 GFADRO COc1cc(C[NH2+]CCNS(=O)(=O)c2ccc(F)cc2F)ccc1Cl ZINC000623514383 565515510 /nfs/dbraw/zinc/51/55/10/565515510.db2.gz LGVPSUCSJGZBHI-UHFFFAOYSA-N 1 0 390.839 2.695 20 0 GFADRO Cc1cc(C)c(C(=O)NCCCN2CC[NH+](C)CC2)c(C)c1Br ZINC000623523567 565517014 /nfs/dbraw/zinc/51/70/14/565517014.db2.gz DSOBJHAMUVVQMT-UHFFFAOYSA-N 1 0 382.346 2.742 20 0 GFADRO C[N@@H+]1CC[C@H](NCCNS(=O)(=O)c2cccc(Cl)c2Cl)CC1(C)C ZINC000623522151 565517091 /nfs/dbraw/zinc/51/70/91/565517091.db2.gz ZAZGYRUAHRZGTB-LBPRGKRZSA-N 1 0 394.368 2.734 20 0 GFADRO COCC[N@H+](C)CCNC(=O)NCC/C=C/c1ccc(Br)cc1 ZINC000623571953 565519430 /nfs/dbraw/zinc/51/94/30/565519430.db2.gz MIYWIJKIGRYUMB-HWKANZROSA-N 1 0 384.318 2.730 20 0 GFADRO Cc1nn(-c2ccccc2Br)cc1C[NH2+]C[C@@H](O)[C@H]1CCCO1 ZINC000623620254 565520813 /nfs/dbraw/zinc/52/08/13/565520813.db2.gz LCLFFLIROUHDMK-IAGOWNOFSA-N 1 0 380.286 2.573 20 0 GFADRO OCCOC1(C[NH2+]Cc2cncc(Br)c2)CCC(F)(F)CC1 ZINC000623638089 565521512 /nfs/dbraw/zinc/52/15/12/565521512.db2.gz UKQGUOOWVRLSDZ-UHFFFAOYSA-N 1 0 379.245 2.891 20 0 GFADRO Cn1cc(Br)c(C(=O)Nc2ccc(OCCC[NH+](C)C)cc2)n1 ZINC000645335708 565521489 /nfs/dbraw/zinc/52/14/89/565521489.db2.gz QNVVHHZJEUKXGK-UHFFFAOYSA-N 1 0 381.274 2.765 20 0 GFADRO O=S(=O)(CCO)c1ccc(C[NH2+][C@@H]2CCc3cccc(Cl)c3C2)cc1 ZINC000666131713 565524819 /nfs/dbraw/zinc/52/48/19/565524819.db2.gz RKYWJLNSTDGHOL-MRXNPFEDSA-N 1 0 379.909 2.753 20 0 GFADRO O=S(=O)(Cc1ccc(Br)cc1Cl)NCC[NH+]1CCCC1 ZINC000645443068 565526215 /nfs/dbraw/zinc/52/62/15/565526215.db2.gz RAJYYDJIRDKNOI-UHFFFAOYSA-N 1 0 381.723 2.618 20 0 GFADRO Cc1ccc(Br)c(C)c1C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000645461768 565528497 /nfs/dbraw/zinc/52/84/97/565528497.db2.gz JJMQATXEIQMICJ-INIZCTEOSA-N 1 0 394.357 2.918 20 0 GFADRO O[C@@H]1CCN(CC[NH2+]Cc2ccc(OC(F)(F)F)c(Br)c2)C1 ZINC000623758631 565529051 /nfs/dbraw/zinc/52/90/51/565529051.db2.gz JIBQWXJARNGFMS-LLVKDONJSA-N 1 0 383.208 2.504 20 0 GFADRO C[C@H]([NH2+]CCCN(C)S(C)(=O)=O)c1cc(F)c(Br)cc1F ZINC000623862266 565533275 /nfs/dbraw/zinc/53/32/75/565533275.db2.gz PZQOZPRDNJLFCJ-VIFPVBQESA-N 1 0 385.274 2.659 20 0 GFADRO CCN(C(=O)Nc1ccc(Br)cc1C(=O)OC)[C@H]1CC[N@H+](C)C1 ZINC000596805081 565535642 /nfs/dbraw/zinc/53/56/42/565535642.db2.gz IPQGLKHEPPNASP-LBPRGKRZSA-N 1 0 384.274 2.794 20 0 GFADRO C[C@@H](CCNC(=O)Nc1cccc(F)c1I)[NH+](C)C ZINC000596810369 565536575 /nfs/dbraw/zinc/53/65/75/565536575.db2.gz RVPOCEDQKNOCSQ-VIFPVBQESA-N 1 0 379.217 2.892 20 0 GFADRO Cc1ccc(Br)c(NC(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)c1 ZINC000666468712 565539438 /nfs/dbraw/zinc/53/94/38/565539438.db2.gz CONVOZSAOCJXLC-AWEZNQCLSA-N 1 0 382.302 2.820 20 0 GFADRO C[C@H](O)C[N@@H+]1CCN(c2nccc(-c3ccc(Br)cc3)n2)[C@@H](C)C1 ZINC000624119228 565543680 /nfs/dbraw/zinc/54/36/80/565543680.db2.gz ZWYHATFPRUMKAU-KBPBESRZSA-N 1 0 391.313 2.797 20 0 GFADRO C[C@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH2+][C@H]1C[C@H](C(N)=O)C1 ZINC000624130163 565543998 /nfs/dbraw/zinc/54/39/98/565543998.db2.gz GKEHDIQPFSTYMI-FXPVBKGRSA-N 1 0 377.794 2.929 20 0 GFADRO C[N@H+]1CC=C(CNS(=O)(=O)Cc2ccc(Br)cc2Cl)CC1 ZINC000645641077 565546448 /nfs/dbraw/zinc/54/64/48/565546448.db2.gz RSUNBVRHKSINRB-UHFFFAOYSA-N 1 0 393.734 2.784 20 0 GFADRO Cn1cc(Br)c(=O)c(NC(=O)N2CC[NH+](CCC(C)(C)C)CC2)c1 ZINC000666690034 565548870 /nfs/dbraw/zinc/54/88/70/565548870.db2.gz JSSSQOHZPJCYRJ-UHFFFAOYSA-N 1 0 399.333 2.734 20 0 GFADRO COC(=O)c1oc(C[NH2+]C[C@@H](O)COc2ccccc2Br)cc1C ZINC000597064308 565550400 /nfs/dbraw/zinc/55/04/00/565550400.db2.gz QSCYQBQHJFUZTE-GFCCVEGCSA-N 1 0 398.253 2.667 20 0 GFADRO Cc1cc(Br)c(F)cc1S(=O)(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000624367559 565553266 /nfs/dbraw/zinc/55/32/66/565553266.db2.gz ZAIKVLRDNDZQMY-UHFFFAOYSA-N 1 0 391.306 2.661 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CN(C(=O)Nc2cc(Cl)ccc2OCC(F)(F)F)CCO1 ZINC000666728329 565553531 /nfs/dbraw/zinc/55/35/31/565553531.db2.gz JNIWMJWZEPZIRQ-NOZJJQNGSA-N 1 0 381.782 2.861 20 0 GFADRO COc1cc(Br)c(C[NH2+][C@@H]2CCC[C@H]([S@@](C)=O)C2)cc1O ZINC000597183333 565554568 /nfs/dbraw/zinc/55/45/68/565554568.db2.gz STMYFRHNQPQKJA-SMDDFHAHSA-N 1 0 376.316 2.943 20 0 GFADRO O=C(NCc1csc(C(F)(F)F)c1)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000624382424 565554610 /nfs/dbraw/zinc/55/46/10/565554610.db2.gz BIDJVZAORAYBCU-CYBMUJFWSA-N 1 0 377.432 2.819 20 0 GFADRO Cc1c(Br)cccc1CS(=O)(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000624411219 565555485 /nfs/dbraw/zinc/55/54/85/565555485.db2.gz AAMGZRJEDFAXLR-IYBDPMFKSA-N 1 0 387.343 2.519 20 0 GFADRO Brc1cc2ncnc(N3CCC([NH+]4CCOCC4)CC3)c2s1 ZINC000624405959 565555660 /nfs/dbraw/zinc/55/56/60/565555660.db2.gz RRJORDBNDNEYCA-UHFFFAOYSA-N 1 0 383.315 2.755 20 0 GFADRO C[C@@H]1CC[C@H](NS(=O)(=O)Cc2cc(Cl)ccc2Br)C[NH2+]1 ZINC000624404038 565555876 /nfs/dbraw/zinc/55/58/76/565555876.db2.gz GLRNAQLWJNXGFN-SKDRFNHKSA-N 1 0 381.723 2.662 20 0 GFADRO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1ccc(I)cc1F ZINC000597701235 565570651 /nfs/dbraw/zinc/57/06/51/565570651.db2.gz RIFNVJXTQOBVRM-RNCFNFMXSA-N 1 0 376.213 2.595 20 0 GFADRO CC1([NH3+])CCN(C(=O)Nc2cc(Br)ccc2N2CCOCC2)CC1 ZINC000666869484 565561150 /nfs/dbraw/zinc/56/11/50/565561150.db2.gz FPJPQMDAPUPUJQ-UHFFFAOYSA-N 1 0 397.317 2.631 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)c1cc(I)c(F)cc1F ZINC000597533580 565562626 /nfs/dbraw/zinc/56/26/26/565562626.db2.gz PYHWJQDFBAXIBE-CHWSQXEVSA-N 1 0 394.203 2.782 20 0 GFADRO C[N@@H+]1CCCC[C@H](CNC(=O)NCc2cc3c(c(Br)c2)OCO3)C1 ZINC000624616160 565565630 /nfs/dbraw/zinc/56/56/30/565565630.db2.gz STOXUCSUUOVXBL-GFCCVEGCSA-N 1 0 398.301 2.709 20 0 GFADRO O=C(CCCCc1ccc(I)cc1)N1CC[N@@H+]2CC[C@H]1C2 ZINC000597708697 565570485 /nfs/dbraw/zinc/57/04/85/565570485.db2.gz OKTKWWGQFKGWBN-INIZCTEOSA-N 1 0 398.288 2.921 20 0 GFADRO Cc1c(Br)ccnc1NC(=O)N[C@@H](C)CN(C)CCC[NH+](C)C ZINC000667168100 565574809 /nfs/dbraw/zinc/57/48/09/565574809.db2.gz VVROQBIAFHVEPF-LBPRGKRZSA-N 1 0 386.338 2.546 20 0 GFADRO COc1nc(C(=O)N(CC[NH+](C)C)Cc2ccc(Br)cc2)co1 ZINC000624762398 565575236 /nfs/dbraw/zinc/57/52/36/565575236.db2.gz GSBJKVXCOPAUSG-UHFFFAOYSA-N 1 0 382.258 2.650 20 0 GFADRO O=C(NCC[NH2+]C1CC1)C(=O)Nc1cccc(Cl)c1SCC(F)F ZINC000667296690 565580149 /nfs/dbraw/zinc/58/01/49/565580149.db2.gz VSIOLHQIPZPDTF-UHFFFAOYSA-N 1 0 377.844 2.504 20 0 GFADRO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)Nc1cc(Br)c(F)cc1Cl ZINC000667338246 565581284 /nfs/dbraw/zinc/58/12/84/565581284.db2.gz UNTVEWVHRDAXFO-QMMMGPOBSA-N 1 0 394.672 2.670 20 0 GFADRO CO[C@@H]1CC[C@H](C(=O)Nc2cc(Br)ccc2N2CC[NH+](C)CC2)C1 ZINC000667350275 565582284 /nfs/dbraw/zinc/58/22/84/565582284.db2.gz BAJOMPVPTMWPPE-DZGCQCFKSA-N 1 0 396.329 2.955 20 0 GFADRO C[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CC(=O)N(c3cc(Cl)cc(Cl)c3)C1)C2 ZINC000646020925 565583065 /nfs/dbraw/zinc/58/30/65/565583065.db2.gz HDNQQSYPAPRFDC-GFCCVEGCSA-N 1 0 382.291 2.510 20 0 GFADRO C[C@@H](CCNC(=O)CCC[S@](=O)c1ccc(Br)cc1)[NH+](C)C ZINC000597993676 565587439 /nfs/dbraw/zinc/58/74/39/565587439.db2.gz VJYMNYNOSWSFTK-XMHCIUCPSA-N 1 0 389.359 2.793 20 0 GFADRO O=C(Nc1ccc(Br)cc1OC(F)(F)F)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000667468808 565587576 /nfs/dbraw/zinc/58/75/76/565587576.db2.gz YNZVFAHDCMXIPZ-VROVMSAKSA-N 1 0 380.164 2.687 20 0 GFADRO C[C@H]([NH3+])[C@H]1CN(C(=O)N[C@H](c2ccc(F)c(Cl)c2)C(F)(F)F)CCO1 ZINC000667492244 565588546 /nfs/dbraw/zinc/58/85/46/565588546.db2.gz VUQHTOJTRFYSIK-ZEGGKSINSA-N 1 0 383.773 2.840 20 0 GFADRO Cn1ccc(C(=O)N(CC(C)(C)C[NH+](C)C)c2ccc(Br)cn2)n1 ZINC000667484862 565589295 /nfs/dbraw/zinc/58/92/95/565589295.db2.gz DSNMAYMACNYSLZ-UHFFFAOYSA-N 1 0 394.317 2.812 20 0 GFADRO CCN(C(=O)c1ccc(I)cc1F)[C@@H]1CC[N@H+](CC)C1 ZINC000598042817 565590873 /nfs/dbraw/zinc/59/08/73/565590873.db2.gz YRZOYNCHEWCQFI-GFCCVEGCSA-N 1 0 390.240 2.987 20 0 GFADRO CC1([NH3+])CCN(C(=O)C(=O)Nc2cc(Br)c(F)cc2Cl)CC1 ZINC000667513332 565592168 /nfs/dbraw/zinc/59/21/68/565592168.db2.gz PGCIRELLYAJQJZ-UHFFFAOYSA-N 1 0 392.656 2.520 20 0 GFADRO CN(C)C(=O)C1CC[NH+]([C@H]2CCc3cc(Br)ccc3NC2=O)CC1 ZINC000625045517 565593070 /nfs/dbraw/zinc/59/30/70/565593070.db2.gz MRXFFRAMQFZKIT-INIZCTEOSA-N 1 0 394.313 2.503 20 0 GFADRO CCOc1c(Cl)cc(NC(=O)C(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)cc1Cl ZINC000667536764 565593201 /nfs/dbraw/zinc/59/32/01/565593201.db2.gz INJYFSITJNUNMB-QMTHXVAHSA-N 1 0 386.279 2.541 20 0 GFADRO CC(C)c1cc(Br)ccc1NC(=O)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000667536542 565593374 /nfs/dbraw/zinc/59/33/74/565593374.db2.gz CBSPABBIOVLKLA-WBMJQRKESA-N 1 0 394.313 2.721 20 0 GFADRO CC[C@H]1CN(C(=O)C(=O)Nc2ccc(Cl)cc2Br)CC[C@@H]1[NH3+] ZINC000667550662 565594625 /nfs/dbraw/zinc/59/46/25/565594625.db2.gz QPTDGIUBMKLNEJ-CABZTGNLSA-N 1 0 388.693 2.627 20 0 GFADRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(Cc2c(F)cncc2Br)CC1 ZINC000667564607 565594871 /nfs/dbraw/zinc/59/48/71/565594871.db2.gz RSEVEGFJYOLRPH-GASCZTMLSA-N 1 0 399.352 2.974 20 0 GFADRO CC[C@H]1CN(C(=O)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)CC[C@@H]1[NH3+] ZINC000667548347 565594879 /nfs/dbraw/zinc/59/48/79/565594879.db2.gz MAORBXLDRBHUCK-CABZTGNLSA-N 1 0 377.794 2.883 20 0 GFADRO C[C@H]1COCC[N@@H+]1C1CCN(C(=O)Cc2ccc(F)c(Br)c2)CC1 ZINC000646322771 565596219 /nfs/dbraw/zinc/59/62/19/565596219.db2.gz YCOIODROGBWDHD-ZDUSSCGKSA-N 1 0 399.304 2.842 20 0 GFADRO O=C([C@H](c1ccc(Br)cc1)N1CCCC1)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000646340214 565597630 /nfs/dbraw/zinc/59/76/30/565597630.db2.gz DASXGEAZDLHHDG-JLSDUUJJSA-N 1 0 392.341 2.796 20 0 GFADRO COC(=O)[C@@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccccc1Br ZINC000598185934 565598793 /nfs/dbraw/zinc/59/87/93/565598793.db2.gz QRIUPNKIMLXGNY-HUBLWGQQSA-N 1 0 383.286 2.510 20 0 GFADRO COC(=O)[C@H](NC(=O)CC1CC[NH+](C)CC1)c1ccccc1Br ZINC000598187874 565599610 /nfs/dbraw/zinc/59/96/10/565599610.db2.gz XUAMWXFNGGQBIM-MRXNPFEDSA-N 1 0 383.286 2.511 20 0 GFADRO COc1cc(Cl)c(Cl)cc1NC(=O)N1CN(CC[NH+](C)C)C(=O)[C@H]1C ZINC000646376145 565601278 /nfs/dbraw/zinc/60/12/78/565601278.db2.gz KRPAPXCYXAVKTG-SNVBAGLBSA-N 1 0 389.283 2.586 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+](C2CCCCC2)C1)c1cc(I)c[nH]1 ZINC000598217770 565602311 /nfs/dbraw/zinc/60/23/11/565602311.db2.gz BHRJOIBCQLCXHH-GFCCVEGCSA-N 1 0 387.265 2.756 20 0 GFADRO C[N@@H+]1CCC[C@@H]1[C@H]1COCCN1C(=O)CCc1ccccc1Br ZINC000646445559 565603909 /nfs/dbraw/zinc/60/39/09/565603909.db2.gz TUJPEBWGFWRFDL-IAGOWNOFSA-N 1 0 381.314 2.703 20 0 GFADRO COc1cccc(OC(F)(F)F)c1S(=O)(=O)N[C@@H](C)C[N@H+](C)C(C)C ZINC000625217940 565608385 /nfs/dbraw/zinc/60/83/85/565608385.db2.gz JDKDYAALVNTFKS-NSHDSACASA-N 1 0 384.420 2.601 20 0 GFADRO CSc1cc(F)ccc1NC(=O)C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000646559472 565609078 /nfs/dbraw/zinc/60/90/78/565609078.db2.gz GKBABKACBUFDTH-ZDUSSCGKSA-N 1 0 381.498 2.967 20 0 GFADRO C[NH+]1CCC(O)(CNC(=O)Nc2ccc(Br)c3ncccc23)CC1 ZINC000667866617 565609545 /nfs/dbraw/zinc/60/95/45/565609545.db2.gz GRFVFVVNFPEQGZ-UHFFFAOYSA-N 1 0 393.285 2.576 20 0 GFADRO Brc1ccc(C[NH2+][C@H]2CO[C@H](C3CC3)C2)c(N2CCOCC2)c1 ZINC000667909186 565611836 /nfs/dbraw/zinc/61/18/36/565611836.db2.gz NSRIOBIYPDPKNA-AEFFLSMTSA-N 1 0 381.314 2.943 20 0 GFADRO CN(C)CC[N@H+](C)CCCNC(=O)Nc1cccc(Br)c1F ZINC000667918974 565612919 /nfs/dbraw/zinc/61/29/19/565612919.db2.gz RHDSIWMJWNRITP-UHFFFAOYSA-N 1 0 375.286 2.593 20 0 GFADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)Nc1cccc(Br)c1F ZINC000667920577 565613541 /nfs/dbraw/zinc/61/35/41/565613541.db2.gz GMIGHKOAQUBZMT-GFCCVEGCSA-N 1 0 387.297 2.736 20 0 GFADRO CN1CC[NH+](CCCCNC(=O)Nc2cccc(Br)c2F)CC1 ZINC000667924184 565614709 /nfs/dbraw/zinc/61/47/09/565614709.db2.gz HZEIHZLBWBBWCQ-UHFFFAOYSA-N 1 0 387.297 2.737 20 0 GFADRO COCCO[C@H]1CCCN([C@@H]2CCc3cc(Br)ccc3NC2=O)C1 ZINC000625272784 565615185 /nfs/dbraw/zinc/61/51/85/565615185.db2.gz VJFNVWYWTVAUMP-DOTOQJQBSA-N 1 0 397.313 2.830 20 0 GFADRO CCCN(C(=O)C(=O)Nc1cc(Br)ccc1C)[C@@H]1CC[N@H+](C)C1 ZINC000646766745 565617937 /nfs/dbraw/zinc/61/79/37/565617937.db2.gz AGWZUBFKPNSVHU-CQSZACIVSA-N 1 0 382.302 2.639 20 0 GFADRO Cc1nc(CSc2ccc(C(=O)N3CCO[C@@H]([C@H](C)[NH3+])C3)cc2)cs1 ZINC000646859452 565623256 /nfs/dbraw/zinc/62/32/56/565623256.db2.gz NYFHCMPGADNEPK-YVEFUNNKSA-N 1 0 377.535 2.932 20 0 GFADRO C[C@@H]1CN(C(=O)CCCc2cccc(Br)c2)[C@@H](C)C[N@@H+]1CCO ZINC000668041781 565623509 /nfs/dbraw/zinc/62/35/09/565623509.db2.gz ZWVLKGVFGOWLFQ-CABCVRRESA-N 1 0 383.330 2.685 20 0 GFADRO CCOCCOCC[N@H+](C)[C@H]1CCc2cc(Br)ccc2NC1=O ZINC000625363183 565623814 /nfs/dbraw/zinc/62/38/14/565623814.db2.gz PSXZHIUEVXYNHU-INIZCTEOSA-N 1 0 385.302 2.687 20 0 GFADRO CC(C)[C@@H]1CN([C@H]2CCc3cc(Br)ccc3NC2=O)CC[N@@H+]1C ZINC000625372629 565624417 /nfs/dbraw/zinc/62/44/17/565624417.db2.gz HSVIGDFQDRLXTB-IRXDYDNUSA-N 1 0 380.330 2.974 20 0 GFADRO C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCN(c4cc(Cl)ccc4Cl)C3=O)[C@@H]2C1 ZINC000646927300 565626409 /nfs/dbraw/zinc/62/64/09/565626409.db2.gz IFIPUQQGCKABAO-NORZTCDRSA-N 1 0 382.291 2.509 20 0 GFADRO COc1ccc(Br)c2[nH]c(C(=O)N3CC[C@@H]4C[N@H+](C)C[C@@H]43)cc21 ZINC000646934539 565626858 /nfs/dbraw/zinc/62/68/58/565626858.db2.gz VAANLMWVEMAEOV-YGRLFVJLSA-N 1 0 378.270 2.715 20 0 GFADRO COc1cc(CN2C[C@H](SC)[C@@H]([NH+]3CCCC3)C2)c(Br)cn1 ZINC000598602998 565629266 /nfs/dbraw/zinc/62/92/66/565629266.db2.gz DVMXGCSLMHRUGO-GJZGRUSLSA-N 1 0 386.359 2.864 20 0 GFADRO O=C(N[C@H]1CCC[NH2+]CC1)[C@@H](c1ccc(Cl)cc1Cl)N1CCOCC1 ZINC000646987678 565631279 /nfs/dbraw/zinc/63/12/79/565631279.db2.gz IXEQQLQWYVWQPF-WMLDXEAASA-N 1 0 386.323 2.625 20 0 GFADRO O=C(N[C@@H]1CCN(c2ccc(Br)cc2)C1)[C@@H]1CCc2nc[nH]c2C1 ZINC000668190062 565632078 /nfs/dbraw/zinc/63/20/78/565632078.db2.gz YGMMYXHKHFKNQX-TZMCWYRMSA-N 1 0 389.297 2.672 20 0 GFADRO CC[C@H]1CN(C(=O)c2ccn(-c3cccc(Br)c3)n2)CC[C@@H]1[NH3+] ZINC000647011677 565632117 /nfs/dbraw/zinc/63/21/17/565632117.db2.gz IUDSVVIMPDUNPX-WFASDCNBSA-N 1 0 377.286 2.834 20 0 GFADRO CC[C@@H]1CN(C(=O)c2cc(=O)[nH]c3ccc(Br)cc32)CC[C@H]1[NH3+] ZINC000647011910 565632212 /nfs/dbraw/zinc/63/22/12/565632212.db2.gz LWVSNKMMOAKVCM-QMTHXVAHSA-N 1 0 378.270 2.902 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000646998221 565632277 /nfs/dbraw/zinc/63/22/77/565632277.db2.gz XCSMJMBAOQZTRQ-KBPBESRZSA-N 1 0 377.286 2.943 20 0 GFADRO [NH3+][C@]12CCC[C@H]1CN(C(=O)c1ccc(Cl)c(I)c1)C2 ZINC000598669681 565633947 /nfs/dbraw/zinc/63/39/47/565633947.db2.gz MLQFKVOBVABIEH-HZMBPMFUSA-N 1 0 390.652 2.898 20 0 GFADRO CC[NH+]1CCN(CCNC(=O)c2c(C)cc(C)c(Br)c2C)CC1 ZINC000625550280 565637605 /nfs/dbraw/zinc/63/76/05/565637605.db2.gz VSHGWWNFFFDLJP-UHFFFAOYSA-N 1 0 382.346 2.742 20 0 GFADRO C[S@](=O)[C@@H]1CCC[C@@H](NC(=O)[C@@H]2C[N@@H+](C(C)(C)C)C[C@H]2C(F)(F)F)C1 ZINC000598751864 565639170 /nfs/dbraw/zinc/63/91/70/565639170.db2.gz HUVHAJIKRUIRRE-UVSWBDIZSA-N 1 0 382.492 2.701 20 0 GFADRO C[C@@H](c1nc([C@H]2CCC[NH2+]2)no1)N1C(=O)c2ccc(Br)cc2C1=O ZINC000647148769 565641840 /nfs/dbraw/zinc/64/18/40/565641840.db2.gz XIKPBPLLXITVSY-QPUJVOFHSA-N 1 0 391.225 2.614 20 0 GFADRO C[C@@H](C(=O)NC1(Cc2ccc(F)cc2Br)CCOCC1)[NH+](C)C ZINC000647157206 565641850 /nfs/dbraw/zinc/64/18/50/565641850.db2.gz ATVUBMQVFTXEEH-LBPRGKRZSA-N 1 0 387.293 2.746 20 0 GFADRO COc1ccccc1[C@@H]([NH3+])CNS(=O)(=O)c1ccc(C(F)(F)F)s1 ZINC000647187503 565644029 /nfs/dbraw/zinc/64/40/29/565644029.db2.gz PAKXSVCOFXYKMQ-JTQLQIEISA-N 1 0 380.413 2.754 20 0 GFADRO C[NH+](C)C[C@H](NCc1ccc(S(N)(=O)=O)cc1F)c1ccc(Cl)cc1 ZINC000647209704 565645826 /nfs/dbraw/zinc/64/58/26/565645826.db2.gz XPDXPGVJSFTWLG-KRWDZBQOSA-N 1 0 385.892 2.519 20 0 GFADRO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)NCc1cccc(Cl)c1Cl ZINC000668454778 565647053 /nfs/dbraw/zinc/64/70/53/565647053.db2.gz GQBZVTCMYMVPBD-ZDUSSCGKSA-N 1 0 386.323 2.846 20 0 GFADRO O=S(=O)(c1ccc(F)c(Br)c1)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647238042 565648730 /nfs/dbraw/zinc/64/87/30/565648730.db2.gz CRIIFLYJVXOPJV-XHDPSFHLSA-N 1 0 391.306 2.741 20 0 GFADRO [NH3+][C@H]1CCC[C@@H](NS(=O)(=O)Cc2ccc(Cl)cc2Br)C1 ZINC000647259741 565649098 /nfs/dbraw/zinc/64/90/98/565649098.db2.gz TUTVRJQCZWBTBG-NWDGAFQWSA-N 1 0 381.723 2.792 20 0 GFADRO O=S(=O)(c1csc(-c2ccc(Cl)cc2)n1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000647263498 565650767 /nfs/dbraw/zinc/65/07/67/565650767.db2.gz KAGIZWPVDSIXGW-SMDDNHRTSA-N 1 0 383.926 2.836 20 0 GFADRO CC[C@@H]1CN(S(=O)(=O)c2cc(Cl)ccc2OCCCOC)CC[C@@H]1[NH3+] ZINC000647268446 565651667 /nfs/dbraw/zinc/65/16/67/565651667.db2.gz CGBHGPCIDPKQHQ-HIFRSBDPSA-N 1 0 390.933 2.503 20 0 GFADRO CC[C@H]1CN(S(=O)(=O)c2c(C)cc(Br)cc2C)CC[C@H]1[NH3+] ZINC000647269621 565651845 /nfs/dbraw/zinc/65/18/45/565651845.db2.gz XFKZKGSXWSSDFW-GXTWGEPZSA-N 1 0 375.332 2.814 20 0 GFADRO O=C1CC[C@@H]2C[N@H+](CC3=Cc4cc(Br)ccc4OC3)CC[C@H]2N1 ZINC000668540828 565653737 /nfs/dbraw/zinc/65/37/37/565653737.db2.gz HGLVBXOYMYVRGU-CZUORRHYSA-N 1 0 377.282 2.825 20 0 GFADRO CC1(CNS(=O)(=O)Cc2ccc(Br)cc2Cl)CC[NH2+]CC1 ZINC000647281201 565653898 /nfs/dbraw/zinc/65/38/98/565653898.db2.gz BQKBRDPSLUTVTQ-UHFFFAOYSA-N 1 0 395.750 2.912 20 0 GFADRO C[C@@H]1CC[NH2+]C[C@H]1NS(=O)(=O)Cc1ccc(Br)cc1Cl ZINC000647284300 565654244 /nfs/dbraw/zinc/65/42/44/565654244.db2.gz KIFJLQZOPQPCFJ-NOZJJQNGSA-N 1 0 381.723 2.520 20 0 GFADRO O=S(=O)(c1ccc(C(F)(F)F)nc1)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647307641 565654938 /nfs/dbraw/zinc/65/49/38/565654938.db2.gz DVZZKCCYEQVFQP-OLZOCXBDSA-N 1 0 377.432 2.501 20 0 GFADRO O=S(=O)(Cc1ccc(Br)cc1Cl)N[C@@H]1CC12CC[NH2+]CC2 ZINC000647303846 565654966 /nfs/dbraw/zinc/65/49/66/565654966.db2.gz NNXRAKNXUFOGDG-CYBMUJFWSA-N 1 0 393.734 2.664 20 0 GFADRO COc1cc(C(F)(F)F)cc(S(=O)(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)c1 ZINC000647299271 565655435 /nfs/dbraw/zinc/65/54/35/565655435.db2.gz SLVZXSHSPUPQTF-HAQNSBGRSA-N 1 0 380.432 2.757 20 0 GFADRO O=C1CCC(=O)N1CC[N@H+]1CC[C@@H](Sc2ccc(Br)cc2)C1 ZINC000625703443 565655574 /nfs/dbraw/zinc/65/55/74/565655574.db2.gz GXMHKSJAQKNOQQ-CQSZACIVSA-N 1 0 383.311 2.765 20 0 GFADRO C[C@H](C[NH2+][C@@H](C)c1ccc(S(=O)(=O)N2CCOCC2)cc1)CC(F)F ZINC000647317217 565656832 /nfs/dbraw/zinc/65/68/32/565656832.db2.gz HVTQILQQBRPRSO-KBPBESRZSA-N 1 0 376.469 2.649 20 0 GFADRO COCc1cc(Cl)cc(S(=O)(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000647307976 565657005 /nfs/dbraw/zinc/65/70/05/565657005.db2.gz HYYGRUXVSVWBDE-JKSUJKDBSA-N 1 0 386.945 2.887 20 0 GFADRO C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CC(C)(C)[C@]1(O)CCOC1 ZINC000647339382 565657744 /nfs/dbraw/zinc/65/77/44/565657744.db2.gz QPZVOQLWVZXWPN-UGSOOPFHSA-N 1 0 399.329 2.933 20 0 GFADRO [NH3+][C@@H]1CCCC[C@H]1NS(=O)(=O)Cc1ccc(Br)cc1Cl ZINC000647335390 565658185 /nfs/dbraw/zinc/65/81/85/565658185.db2.gz CPJDQDPCZQXRLJ-CHWSQXEVSA-N 1 0 381.723 2.792 20 0 GFADRO Cc1c(F)c(Br)ccc1C(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000668685066 565661033 /nfs/dbraw/zinc/66/10/33/565661033.db2.gz ZSXADALWPNDGGE-GFCCVEGCSA-N 1 0 386.309 2.510 20 0 GFADRO COCCOc1ccc(Br)cc1NC(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000625875977 565663365 /nfs/dbraw/zinc/66/33/65/565663365.db2.gz QUYHQRGZHXYRRZ-WCQYABFASA-N 1 0 386.290 2.736 20 0 GFADRO Cc1c(Br)cccc1C[C@@H](CO)C[NH2+]C[C@@](C)(O)C(F)(F)F ZINC000647536928 565664109 /nfs/dbraw/zinc/66/41/09/565664109.db2.gz IJXDHLFEILMWNN-BXUZGUMPSA-N 1 0 384.236 2.811 20 0 GFADRO C[NH2+]CCOCCNC(=O)Nc1ccnn1Cc1c(Cl)cccc1Cl ZINC000625880563 565664676 /nfs/dbraw/zinc/66/46/76/565664676.db2.gz CVIWPYTUMGRCGN-UHFFFAOYSA-N 1 0 386.283 2.596 20 0 GFADRO C[NH+](C)CCC[C@@H]1CN(Cc2cc(Br)cc3c2OCC3)CCO1 ZINC000668785413 565666240 /nfs/dbraw/zinc/66/62/40/565666240.db2.gz PTNFPWQYMCHHFC-QGZVFWFLSA-N 1 0 383.330 2.927 20 0 GFADRO Cc1oc(S(C)(=O)=O)cc1C(=O)NC[C@H](c1ccc(Cl)cc1)N(C)C ZINC000625967107 565667984 /nfs/dbraw/zinc/66/79/84/565667984.db2.gz AQBOHQWJMIJQFK-OAHLLOKOSA-N 1 0 384.885 2.678 20 0 GFADRO C[NH+](C)C[C@@H](CO)NC(=O)c1ccc(-c2ccc(Br)s2)s1 ZINC000647709949 565671971 /nfs/dbraw/zinc/67/19/71/565671971.db2.gz DIUMTOKDIWDEQJ-VIFPVBQESA-N 1 0 389.340 2.891 20 0 GFADRO C[C@@H]1CN(C(=O)C[NH2+][C@@H](CCO)c2cc(Cl)cc(Cl)c2)C[C@@H](C)O1 ZINC000626100668 565675146 /nfs/dbraw/zinc/67/51/46/565675146.db2.gz VKLFXLNHAXEHQR-HSMVNMDESA-N 1 0 375.296 2.642 20 0 GFADRO OCC[C@H]([NH2+]C[C@H](O)COC[C@@H]1CCCO1)c1cc(Cl)cc(Cl)c1 ZINC000626100556 565675659 /nfs/dbraw/zinc/67/56/59/565675659.db2.gz QTHZCYXUNXHTSZ-ULQDDVLXSA-N 1 0 378.296 2.563 20 0 GFADRO [NH3+]C[C@@H](NC(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1)C1CCCCC1 ZINC000647811443 565678050 /nfs/dbraw/zinc/67/80/50/565678050.db2.gz BHXGDKLMFPSMPN-MRXNPFEDSA-N 1 0 384.929 2.670 20 0 GFADRO Cc1c(Br)cncc1C(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000669146227 565679436 /nfs/dbraw/zinc/67/94/36/565679436.db2.gz SLWQNFTUGGDCQT-UHFFFAOYSA-N 1 0 388.309 2.982 20 0 GFADRO O=C(NCC[N@H+]1CC[C@H](O)C1)Nc1ccc(Br)c(C(F)(F)F)c1 ZINC000626209725 565683907 /nfs/dbraw/zinc/68/39/07/565683907.db2.gz JOZXDVMCWVBGIC-JTQLQIEISA-N 1 0 396.207 2.656 20 0 GFADRO CC(C)[C@H]1CN(CC(=O)Nc2c(F)cc(F)cc2Br)CC[NH2+]1 ZINC000647930813 565684360 /nfs/dbraw/zinc/68/43/60/565684360.db2.gz SOOPHMOVJDALAF-CYBMUJFWSA-N 1 0 376.245 2.596 20 0 GFADRO C[C@@H](CNC(=O)[C@@H]1CCc2nc[nH]c2C1)Oc1cccc(Br)c1 ZINC000669314293 565684983 /nfs/dbraw/zinc/68/49/83/565684983.db2.gz GUWLZAINEFUBHH-NWDGAFQWSA-N 1 0 378.270 2.861 20 0 GFADRO NC(=O)[C@H](c1ccc(Br)cc1F)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647977561 565685709 /nfs/dbraw/zinc/68/57/09/565685709.db2.gz DPMVPHUPACGOAJ-AHIWAGSCSA-N 1 0 398.320 2.826 20 0 GFADRO O=C(Nc1ccc(Cl)cc1Cl)[C@H]1CCCCN1C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000647991692 565687341 /nfs/dbraw/zinc/68/73/41/565687341.db2.gz YYWWBAKBVDTCDA-KOZAUXTDSA-N 1 0 382.291 2.778 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)N[C@H]1CCC[NH2+]CC1 ZINC000669445206 565689412 /nfs/dbraw/zinc/68/94/12/565689412.db2.gz FIWFWGJHUXLQBP-AWEZNQCLSA-N 1 0 397.317 2.527 20 0 GFADRO COC(=O)c1coc(C[NH2+][C@@]2(CO)CCc3cc(Br)ccc3C2)c1 ZINC000599573508 565690805 /nfs/dbraw/zinc/69/08/05/565690805.db2.gz RAASPTOLJSHDAN-SFHVURJKSA-N 1 0 394.265 2.838 20 0 GFADRO C[C@H]1CC[C@H](NC(=O)Nc2ccc(I)cc2F)C[NH2+]1 ZINC000599607077 565692186 /nfs/dbraw/zinc/69/21/86/565692186.db2.gz KBZWLIDZQBRJNE-WPRPVWTQSA-N 1 0 377.201 2.692 20 0 GFADRO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)NCc1cc(Br)cc2c1OCC2 ZINC000669561184 565692343 /nfs/dbraw/zinc/69/23/43/565692343.db2.gz VKVIRDBHRJMAKU-DOMZBBRYSA-N 1 0 382.302 2.701 20 0 GFADRO COC(=O)c1cc(Br)ccc1NC(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000599603444 565692662 /nfs/dbraw/zinc/69/26/62/565692662.db2.gz WNNWMJNZYXERTB-ZDUSSCGKSA-N 1 0 382.258 2.642 20 0 GFADRO O=C(N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000669569012 565693109 /nfs/dbraw/zinc/69/31/09/565693109.db2.gz RRSPQSBBCFMCOI-JGGQBBKZSA-N 1 0 383.323 2.966 20 0 GFADRO C[C@H](CC(=O)N1CCc2ccccc2[C@@H]1C[NH3+])n1cc(Br)cn1 ZINC000648199202 565693171 /nfs/dbraw/zinc/69/31/71/565693171.db2.gz CYAYNHWEHNAPBJ-WBMJQRKESA-N 1 0 377.286 2.681 20 0 GFADRO CC[C@@H]1CN(C(=O)N[C@@H]2CCN(c3cccc(Br)c3)C2)CC[C@H]1[NH3+] ZINC000669571962 565693713 /nfs/dbraw/zinc/69/37/13/565693713.db2.gz DRVXDEXPOXSQEW-FRFSOERESA-N 1 0 395.345 2.797 20 0 GFADRO O=C(N[C@@H]1CSc2ccc(Br)cc21)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000669572174 565693724 /nfs/dbraw/zinc/69/37/24/565693724.db2.gz HHLVXJWQUARREG-LEWSCRJBSA-N 1 0 382.327 2.989 20 0 GFADRO O=C(N[C@H]1COc2cc(F)c(Br)cc21)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000669581061 565694449 /nfs/dbraw/zinc/69/44/49/565694449.db2.gz CULHJTZMQIBWQD-YGRLFVJLSA-N 1 0 384.249 2.558 20 0 GFADRO CC1([NH3+])CCN(C(=O)NCCc2c[nH]c3cccc(Br)c23)CC1 ZINC000669588478 565694494 /nfs/dbraw/zinc/69/44/94/565694494.db2.gz KFWRBDNXYKMBNI-UHFFFAOYSA-N 1 0 379.302 2.996 20 0 GFADRO Cc1ccc(C(=O)N2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)c(Cl)c1Cl ZINC000648245356 565696370 /nfs/dbraw/zinc/69/63/70/565696370.db2.gz ISMMGNKSQOKACO-AWEZNQCLSA-N 1 0 384.307 2.856 20 0 GFADRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NCc1ccc(I)c(C)c1 ZINC000599916078 565706005 /nfs/dbraw/zinc/70/60/05/565706005.db2.gz IGRGSRLGMNAKSZ-UONOGXRCSA-N 1 0 387.265 2.539 20 0 GFADRO Cn1nc2cc(Br)ccc2c1C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000648361462 565706592 /nfs/dbraw/zinc/70/65/92/565706592.db2.gz NQDXSMFFQNBZAN-STQMWFEESA-N 1 0 377.286 2.692 20 0 GFADRO COc1cc(C(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)ccc1Br ZINC000626667475 565707858 /nfs/dbraw/zinc/70/78/58/565707858.db2.gz QSOOZIRQEFNQGM-ZDUSSCGKSA-N 1 0 385.302 2.688 20 0 GFADRO C[C@H]([NH2+]CC(=O)NCC(=O)Nc1ccccc1Br)c1ccsc1 ZINC000669937874 565708169 /nfs/dbraw/zinc/70/81/69/565708169.db2.gz WPXMZSZAYZWOQP-NSHDSACASA-N 1 0 396.310 2.916 20 0 GFADRO CCN(C(=O)c1ccc(I)c(F)c1)C1CC[NH+](C)CC1 ZINC000599985248 565709259 /nfs/dbraw/zinc/70/92/59/565709259.db2.gz BBNOXXRZAKHYMW-UHFFFAOYSA-N 1 0 390.240 2.987 20 0 GFADRO Cc1ccc(Cl)cc1NC(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000626861279 565712762 /nfs/dbraw/zinc/71/27/62/565712762.db2.gz NEYHNRKPRWZIOH-CMPLNLGQSA-N 1 0 377.794 2.573 20 0 GFADRO Cc1ccc(NC(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c(Cl)c1 ZINC000626861167 565713035 /nfs/dbraw/zinc/71/30/35/565713035.db2.gz LLIKZBVKLRFHSV-QWRGUYRKSA-N 1 0 377.794 2.573 20 0 GFADRO O=C(Nc1cc(Cl)ccc1C(F)(F)F)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000626850283 565713115 /nfs/dbraw/zinc/71/31/15/565713115.db2.gz BYSJJYHXKWDMOJ-LBPRGKRZSA-N 1 0 375.778 2.698 20 0 GFADRO O=C(Nc1cc(Cl)cc(C(F)(F)F)c1)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000626852087 565713390 /nfs/dbraw/zinc/71/33/90/565713390.db2.gz VYGUSYMYXARYDK-LBPRGKRZSA-N 1 0 375.778 2.698 20 0 GFADRO CC(C)c1cc(Br)ccc1NC(=O)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000626851851 565713420 /nfs/dbraw/zinc/71/34/20/565713420.db2.gz WLZLTVDFYUMZTP-HNNXBMFYSA-N 1 0 394.313 2.912 20 0 GFADRO CCn1c(-c2cc(Br)cn2C)nnc1N1CC[N@H+](CC)[C@@H](C)C1 ZINC000670067886 565714021 /nfs/dbraw/zinc/71/40/21/565714021.db2.gz DZGMEVHQBJDQEB-LBPRGKRZSA-N 1 0 381.322 2.596 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)NCCOc2ccc(Cl)cc2)CC[C@@H]1C(F)(F)F ZINC000626924051 565714833 /nfs/dbraw/zinc/71/48/33/565714833.db2.gz DUVLFZPUVMHTNE-RISCZKNCSA-N 1 0 379.810 2.888 20 0 GFADRO CC(C)(C)N1CC[C@H]([NH2+]CCCS(N)(=O)=O)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000670091574 565715212 /nfs/dbraw/zinc/71/52/12/565715212.db2.gz PTRIDNLNIQPZCH-HOTGVXAUSA-N 1 0 391.940 2.661 20 0 GFADRO C[NH2+]CCOCCNC(=O)N[C@@H](c1ccc(Br)cc1)C1CCC1 ZINC000626945135 565715880 /nfs/dbraw/zinc/71/58/80/565715880.db2.gz PYOKOZYSJLBDEB-MRXNPFEDSA-N 1 0 384.318 2.826 20 0 GFADRO C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)NCCc1ccc(F)c(Br)c1)C2 ZINC000626945596 565716334 /nfs/dbraw/zinc/71/63/34/565716334.db2.gz WKZLFJUPPYMWIF-CALCHBBNSA-N 1 0 384.293 2.772 20 0 GFADRO C[C@@H]1C[C@H]([NH2+]CCNS(=O)(=O)c2cccc(Cl)c2Cl)C[C@H](C)O1 ZINC000648581130 565718227 /nfs/dbraw/zinc/71/82/27/565718227.db2.gz ZMIMRHIHOSQJDS-GDNZZTSVSA-N 1 0 381.325 2.817 20 0 GFADRO CC[C@@H]1C[C@@H]([NH2+]CCNS(=O)(=O)c2cccc(Cl)c2Cl)CCO1 ZINC000648581102 565718508 /nfs/dbraw/zinc/71/85/08/565718508.db2.gz ROGJUJOFHIXNJP-NWDGAFQWSA-N 1 0 381.325 2.819 20 0 GFADRO C[NH2+]CCOCCN(C)C(=O)NCCc1cc(Cl)ccc1Br ZINC000627003484 565718676 /nfs/dbraw/zinc/71/86/76/565718676.db2.gz QRVUAACWSHZNLE-UHFFFAOYSA-N 1 0 392.725 2.522 20 0 GFADRO CC(C)(C)c1nnc(CNC(=O)N2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)s1 ZINC000626999276 565718749 /nfs/dbraw/zinc/71/87/49/565718749.db2.gz FLLFNQFWAHLPQZ-UWVGGRQHSA-N 1 0 379.452 2.504 20 0 GFADRO C[C@@H]1CC[C@H](NC(=O)N[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C[NH2+]1 ZINC000627011194 565719105 /nfs/dbraw/zinc/71/91/05/565719105.db2.gz YCIAWVFDQFZHCH-ZETOZRRWSA-N 1 0 385.295 2.538 20 0 GFADRO Cc1cn2c(C[NH2+]CCn3cc(Br)ccc3=O)c(C)nc2s1 ZINC000648634504 565720948 /nfs/dbraw/zinc/72/09/48/565720948.db2.gz AEMCJVFYHOLTTA-UHFFFAOYSA-N 1 0 381.299 2.727 20 0 GFADRO C[C@@H](NC(=O)NCC1([NH3+])CCOCC1)c1cc(F)c(Br)cc1F ZINC000627125604 565722716 /nfs/dbraw/zinc/72/27/16/565722716.db2.gz ITVUXRRYNUCXTM-SECBINFHSA-N 1 0 392.244 2.595 20 0 GFADRO CCCN(C(=O)NCc1cc(Br)cnc1OC)C1CC[NH2+]CC1 ZINC000627157168 565723345 /nfs/dbraw/zinc/72/33/45/565723345.db2.gz PIZYCCMQPWEBLP-UHFFFAOYSA-N 1 0 385.306 2.526 20 0 GFADRO CC[C@H](Cc1ccccc1Br)N(C)C(=O)NCC1([NH3+])CCOCC1 ZINC000627150572 565723893 /nfs/dbraw/zinc/72/38/93/565723893.db2.gz ONJYJPBANRUVKQ-OAHLLOKOSA-N 1 0 398.345 2.920 20 0 GFADRO [NH3+]C1(CNC(=O)N2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)CCOCC1 ZINC000627153817 565724100 /nfs/dbraw/zinc/72/41/00/565724100.db2.gz NIACLTSNKANYQH-OAHLLOKOSA-N 1 0 388.295 2.584 20 0 GFADRO C[NH2+]CCOCCNC(=O)N1CCC[C@H]1c1ccc(Br)c(C)c1 ZINC000627173205 565724860 /nfs/dbraw/zinc/72/48/60/565724860.db2.gz QLJBEDVQEABIOJ-INIZCTEOSA-N 1 0 384.318 2.840 20 0 GFADRO C[NH2+]CCOCCNC(=O)N(C)C[C@@H](C)Oc1ccc(Cl)c(Cl)c1 ZINC000627173645 565725005 /nfs/dbraw/zinc/72/50/05/565725005.db2.gz DUSPMTGLZQNENX-GFCCVEGCSA-N 1 0 378.300 2.638 20 0 GFADRO CC(C)CN(Cc1ccccc1Br)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000627187544 565725220 /nfs/dbraw/zinc/72/52/20/565725220.db2.gz GZFDNYIGGZYDNL-HNNXBMFYSA-N 1 0 384.318 2.605 20 0 GFADRO Cc1cc(Br)ccc1[C@H]1CCCN1C(=O)NC[C@H]1COCC[NH2+]1 ZINC000627190835 565725629 /nfs/dbraw/zinc/72/56/29/565725629.db2.gz DAGZNMSFNAYPFT-GOEBONIOSA-N 1 0 382.302 2.592 20 0 GFADRO C[C@@H](NC(=O)c1c2ccc(Br)cc2nn1C)C1CC[NH+](C)CC1 ZINC000648783057 565728373 /nfs/dbraw/zinc/72/83/73/565728373.db2.gz NXXMIJQICZWUPO-LLVKDONJSA-N 1 0 379.302 2.796 20 0 GFADRO O=C(CCCc1ccc(Br)s1)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000627254177 565728457 /nfs/dbraw/zinc/72/84/57/565728457.db2.gz PJLBSSISYFSVJP-OLZOCXBDSA-N 1 0 387.343 2.501 20 0 GFADRO Cc1cc2c(o1)c(C(=O)N1CC[C@H]([N@@H+]3CC[C@H](O)C3)C1)ccc2Br ZINC000627264200 565729721 /nfs/dbraw/zinc/72/97/21/565729721.db2.gz PUCRTIDSINHFDC-STQMWFEESA-N 1 0 393.281 2.785 20 0 GFADRO C[C@H](CC(=O)N1CC[C@H](C[NH+]2CCCCC2)C1)n1cc(Br)cn1 ZINC000648797602 565730158 /nfs/dbraw/zinc/73/01/58/565730158.db2.gz YANSUTWYNUSGOK-HUUCEWRRSA-N 1 0 383.334 2.931 20 0 GFADRO Cn1nc2cc(Br)ccc2c1C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000648831061 565732087 /nfs/dbraw/zinc/73/20/87/565732087.db2.gz LHLWDDFSLFHLKO-BLLLJJGKSA-N 1 0 391.313 2.892 20 0 GFADRO C[C@H](NC(=O)C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)c1cccc(Cl)c1Cl ZINC000627342314 565734128 /nfs/dbraw/zinc/73/41/28/565734128.db2.gz CBDDOUZMVJVRCW-FJNPEDAXSA-N 1 0 384.307 2.629 20 0 GFADRO C[C@@H](NC(=O)c1c2ccc(Br)cc2nn1C)C1=CC[N@H+](C)CC1 ZINC000648856940 565734487 /nfs/dbraw/zinc/73/44/87/565734487.db2.gz GKFROVWGANXRBU-LLVKDONJSA-N 1 0 377.286 2.716 20 0 GFADRO C[C@H](NC(=O)C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1)c1ccsc1 ZINC000670625615 565734898 /nfs/dbraw/zinc/73/48/98/565734898.db2.gz NYEPUKGVBGQGCT-ZFWWWQNUSA-N 1 0 377.535 2.940 20 0 GFADRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000649069356 565746251 /nfs/dbraw/zinc/74/62/51/565746251.db2.gz SPCHFBIRYDUTTG-VIFPVBQESA-N 1 0 378.687 2.839 20 0 GFADRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000649075567 565746586 /nfs/dbraw/zinc/74/65/86/565746586.db2.gz GKYKBHZRRZRORU-BYCMXARLSA-N 1 0 384.307 2.675 20 0 GFADRO O=C(Cc1cc(Br)ccc1F)N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000627740522 565748846 /nfs/dbraw/zinc/74/88/46/565748846.db2.gz SYPWVCGNZFHMAN-UHFFFAOYSA-N 1 0 399.304 2.844 20 0 GFADRO C[C@H](Cc1ccc(Br)cc1)C(=O)N1CCOC2(CC[NH+](C)CC2)C1 ZINC000649131651 565749913 /nfs/dbraw/zinc/74/99/13/565749913.db2.gz WAWWMMZOKTTZIK-OAHLLOKOSA-N 1 0 395.341 2.951 20 0 GFADRO C[C@H](Oc1ccccc1Br)C(=O)N1CCOC2(CC[NH+](C)CC2)C1 ZINC000649132919 565750894 /nfs/dbraw/zinc/75/08/94/565750894.db2.gz UAECZKQYCIICRP-AWEZNQCLSA-N 1 0 397.313 2.540 20 0 GFADRO Cc1ccc(Br)cc1CC(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000649140664 565751095 /nfs/dbraw/zinc/75/10/95/565751095.db2.gz JBUYMJKDWLOOSS-KRWDZBQOSA-N 1 0 381.314 2.670 20 0 GFADRO Cc1cccc(C[C@H](CO)[NH2+][C@H](C)Cn2cc(Br)ccc2=O)c1 ZINC000671121001 565752867 /nfs/dbraw/zinc/75/28/67/565752867.db2.gz XNUIFCFKFLIABY-RHSMWYFYSA-N 1 0 379.298 2.501 20 0 GFADRO C[N@@H+]1CCCC[C@H](CNC(=O)C(=O)Nc2nc(-c3cccs3)cs2)C1 ZINC000627827933 565754697 /nfs/dbraw/zinc/75/46/97/565754697.db2.gz MWTISBJBVSZPHT-GFCCVEGCSA-N 1 0 378.523 2.658 20 0 GFADRO O=C(CCCN1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)c1ccc(Br)cc1 ZINC000649284410 565757710 /nfs/dbraw/zinc/75/77/10/565757710.db2.gz UYVSFWZFTLKUDR-MJGOQNOKSA-N 1 0 395.341 2.943 20 0 GFADRO O=c1cc(C[NH+]2CCC3(CCOCC3)CC2)nc2ccc(Br)cn12 ZINC000671252877 565760053 /nfs/dbraw/zinc/76/00/53/565760053.db2.gz GSNDWGOSTLOVHC-UHFFFAOYSA-N 1 0 392.297 2.850 20 0 GFADRO Brc1ccc(-c2ccc(NCC[N@H+]3C[C@H]4CC[C@@H](C3)O4)nn2)s1 ZINC000649461025 565761859 /nfs/dbraw/zinc/76/18/59/565761859.db2.gz FQCPDBZFCITIRW-TXEJJXNPSA-N 1 0 395.326 3.243 20 0 GFADRO CC(C)(C)OC(=O)[C@@H]1CC[C@H]([NH2+]Cc2ccc(Cl)c(S(N)(=O)=O)c2)C1 ZINC000601129102 565768607 /nfs/dbraw/zinc/76/86/07/565768607.db2.gz AKPBVFAMAMLNFR-OLZOCXBDSA-N 1 0 388.917 2.587 20 0 GFADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)NCc1c(C)cc(Br)cc1C ZINC000601290414 565775010 /nfs/dbraw/zinc/77/50/10/565775010.db2.gz MIFNAONDUHNYQO-MRXNPFEDSA-N 1 0 398.345 2.976 20 0 GFADRO COc1ccc(S(=O)(=O)N2CCC[N@H+](C[C@@]3(C)CCCS3)CC2)cc1 ZINC000628190367 565779665 /nfs/dbraw/zinc/77/96/65/565779665.db2.gz DRBUCMHFVVEUCJ-GOSISDBHSA-N 1 0 384.567 2.677 20 0 GFADRO O[C@H](COc1ccc(Cl)c(Cl)c1)C[N@@H+]1C[C@H](O)C[C@@H]1[C@@H]1CCCOC1 ZINC000649832327 565781463 /nfs/dbraw/zinc/78/14/63/565781463.db2.gz BTAZFZMSEVPPTB-ZUMXRPEOSA-N 1 0 390.307 2.595 20 0 GFADRO CC(=O)c1cc(Br)ccc1OCC(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000671707250 565783039 /nfs/dbraw/zinc/78/30/39/565783039.db2.gz SXPXQCBYCXWPKH-OAHLLOKOSA-N 1 0 395.297 2.631 20 0 GFADRO CC[C@@H]([NH2+]Cc1cc(Cl)cc(Cl)c1OCCN1CCOCC1)[C@H](C)O ZINC000628299378 565783066 /nfs/dbraw/zinc/78/30/66/565783066.db2.gz NGYXXABVAROQCB-SUMWQHHRSA-N 1 0 391.339 2.953 20 0 GFADRO CS(=O)(=O)N1CCC[C@@H](C[NH2+]C2(c3ccc(C(F)(F)F)cc3)CC2)C1 ZINC000649886174 565784458 /nfs/dbraw/zinc/78/44/58/565784458.db2.gz PXLMWECNDLPPMM-ZDUSSCGKSA-N 1 0 376.444 2.956 20 0 GFADRO C[C@@H]([NH2+]CCN(C)S(=O)(=O)c1cccs1)c1ccc2[nH]c(=O)oc2c1 ZINC000671753704 565784848 /nfs/dbraw/zinc/78/48/48/565784848.db2.gz BHLNLTTWLMYIET-LLVKDONJSA-N 1 0 381.479 2.566 20 0 GFADRO Cc1cc(Cl)ccc1S(=O)(=O)NCC[NH2+][C@H]1CCCc2cccnc21 ZINC000671770497 565785246 /nfs/dbraw/zinc/78/52/46/565785246.db2.gz VWBBPJLMSFHXIP-INIZCTEOSA-N 1 0 379.913 2.989 20 0 GFADRO CCO[C@H]1CC[N@H+](Cc2cc(=O)n3cc(Br)ccc3n2)C[C@@H]1C ZINC000649990716 565791247 /nfs/dbraw/zinc/79/12/47/565791247.db2.gz KSWRFIVYQGUYCV-WFASDCNBSA-N 1 0 380.286 2.704 20 0 GFADRO CNS(=O)(=O)C[C@H]1CCC[N@H+](C[C@H](C)c2cccc(Br)c2)C1 ZINC000628496109 565792352 /nfs/dbraw/zinc/79/23/52/565792352.db2.gz IUYMAEQGFCWQBZ-KBPBESRZSA-N 1 0 389.359 2.814 20 0 GFADRO O[C@@H]1CCC[C@H]1[NH+]1CCN(c2ccc(Br)c(C(F)(F)F)n2)CC1 ZINC000672207509 565798360 /nfs/dbraw/zinc/79/83/60/565798360.db2.gz PAPWLOMFDZPWPG-VXGBXAGGSA-N 1 0 394.235 2.898 20 0 GFADRO CCN1CCO[C@H](C(=O)Nc2ccc(Cl)cc2SCCC(=O)OC)C1 ZINC000601706336 565799758 /nfs/dbraw/zinc/79/97/58/565799758.db2.gz QRJOBFDWUGVDKL-AWEZNQCLSA-N 1 0 386.901 2.654 20 0 GFADRO CC(=O)c1cc(Br)ccc1OCC(=O)NC[C@@H]1CCCC[N@@H+](C)C1 ZINC000628754773 565806264 /nfs/dbraw/zinc/80/62/64/565806264.db2.gz RHAZKRFCRPNGNG-AWEZNQCLSA-N 1 0 397.313 2.879 20 0 GFADRO CC[C@@H]1CC[C@@H]1[NH2+]CCCNS(=O)(=O)c1ccccc1Br ZINC000672613406 565812876 /nfs/dbraw/zinc/81/28/76/565812876.db2.gz OQQFFCKRZGPVRV-OCCSQVGLSA-N 1 0 375.332 2.896 20 0 GFADRO O=C(NCc1cc(Br)ccn1)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000650371161 565816230 /nfs/dbraw/zinc/81/62/30/565816230.db2.gz QYBWSLZDJMSHQZ-HNNXBMFYSA-N 1 0 389.297 2.768 20 0 GFADRO C[NH+](C)C[C@H](NC(=O)COC1CCOCC1)c1ccc(Cl)c(Cl)c1 ZINC000628968436 565817623 /nfs/dbraw/zinc/81/76/23/565817623.db2.gz INRSJANPMCASBZ-INIZCTEOSA-N 1 0 375.296 2.908 20 0 GFADRO O=C(NC[C@@H]1CC[N@@H+]1C1CCCC1)c1cc(Br)cc2c1OCCO2 ZINC000628965821 565817663 /nfs/dbraw/zinc/81/76/63/565817663.db2.gz CADDUTOOGFZXFG-AWEZNQCLSA-N 1 0 395.297 2.967 20 0 GFADRO C[NH+](C)C[C@H](NC(=O)COC[C@H]1CCCO1)c1ccc(Cl)c(Cl)c1 ZINC000628968167 565817716 /nfs/dbraw/zinc/81/77/16/565817716.db2.gz FMWQXDIUEIOGSP-CJNGLKHVSA-N 1 0 375.296 2.908 20 0 GFADRO C[C@H]1C[C@@H](NC(=O)c2cnc3ncc(Br)cc3c2)C[N@@H+]1C1CC1 ZINC000672850098 565819789 /nfs/dbraw/zinc/81/97/89/565819789.db2.gz VQKKPZKFAXKQAV-IINYFYTJSA-N 1 0 375.270 2.747 20 0 GFADRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2cnc3ncc(Br)cc3c2)C1 ZINC000672896250 565821708 /nfs/dbraw/zinc/82/17/08/565821708.db2.gz VGXOVONBPUPEAG-BLLLJJGKSA-N 1 0 389.297 2.949 20 0 GFADRO C[NH+](C)C[C@@H]1CCN(C(=O)c2ccc3[nH]cc(I)c3c2)C1 ZINC000602099115 565823085 /nfs/dbraw/zinc/82/30/85/565823085.db2.gz YCLWKXJZPHWGEH-NSHDSACASA-N 1 0 397.260 2.796 20 0 GFADRO CC(C)C[C@H](C(=O)Nc1ccncc1I)n1ccnc1 ZINC000602119996 565823090 /nfs/dbraw/zinc/82/30/90/565823090.db2.gz QFISLINQKQULJZ-CYBMUJFWSA-N 1 0 384.221 2.531 20 0 GFADRO O=C(Cc1ccc(I)cc1)N[C@H]1C[C@@H]([NH+]2CCCC2)C1 ZINC000602167240 565827961 /nfs/dbraw/zinc/82/79/61/565827961.db2.gz LBHRXUQYIMDFTH-GASCZTMLSA-N 1 0 384.261 2.577 20 0 GFADRO Brc1ccc(-c2c[nH]c(C[NH2+]CCOC[C@@H]3CCOC3)n2)cc1 ZINC000602275557 565836290 /nfs/dbraw/zinc/83/62/90/565836290.db2.gz SEKFPYYTGGIYLJ-CYBMUJFWSA-N 1 0 380.286 2.982 20 0 GFADRO O=C(CCSc1ccc(Br)cc1)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000673515962 565838499 /nfs/dbraw/zinc/83/84/99/565838499.db2.gz MEOZWAGWOKVBQV-HUUCEWRRSA-N 1 0 399.354 2.599 20 0 GFADRO O=C(Cc1csc(-c2ccccc2Cl)n1)N[C@@H](CO)C[NH+]1CCCC1 ZINC000673529702 565839192 /nfs/dbraw/zinc/83/91/92/565839192.db2.gz BHTOTKVLCMUMFW-CQSZACIVSA-N 1 0 379.913 2.579 20 0 GFADRO O=C([C@H]1CCOc2ccc(Br)cc21)N1CC[NH+](CC2CC2)CC1 ZINC000651143140 565847692 /nfs/dbraw/zinc/84/76/92/565847692.db2.gz IPADGRJSMPRIIK-HNNXBMFYSA-N 1 0 379.298 2.869 20 0 GFADRO Cc1cc(Br)cc(CNCC2([NH3+])CCOCC2)c1OC(F)F ZINC000629389578 565849067 /nfs/dbraw/zinc/84/90/67/565849067.db2.gz OEYVIFPVTPDZIX-UHFFFAOYSA-N 1 0 379.245 2.956 20 0 GFADRO C[S@](=O)C1(C(=O)NCCCc2ccc(Cl)cc2Cl)CC[NH2+]CC1 ZINC000602464114 565849858 /nfs/dbraw/zinc/84/98/58/565849858.db2.gz JUFLRVFOKBDBEZ-QHCPKHFHSA-N 1 0 377.337 2.543 20 0 GFADRO O[C@@H](COc1ccc(Cl)c(Cl)c1)CN1CC[NH+](C2CCOCC2)CC1 ZINC000673857180 565850192 /nfs/dbraw/zinc/85/01/92/565850192.db2.gz ISFDAANZSKEITI-OAHLLOKOSA-N 1 0 389.323 2.530 20 0 GFADRO COCCOC[C@H]1CCN(Cc2ccc(I)s2)C1 ZINC000602481734 565851461 /nfs/dbraw/zinc/85/14/61/565851461.db2.gz DPIDSEGRRNRIQJ-NSHDSACASA-N 1 0 381.279 2.838 20 0 GFADRO CN(C)c1nc(CNC(=O)NC[C@@H](c2ccc(Cl)cc2)[NH+](C)C)cs1 ZINC000673880335 565851526 /nfs/dbraw/zinc/85/15/26/565851526.db2.gz OEMFJDYKVVFPJQ-HNNXBMFYSA-N 1 0 381.933 2.965 20 0 GFADRO COC(=O)c1cc(C[NH2+]C[C@@H]2CCN(c3ccc(Br)cc3)C2)on1 ZINC000602527981 565853097 /nfs/dbraw/zinc/85/30/97/565853097.db2.gz NVNFUATTXBXZQX-LBPRGKRZSA-N 1 0 394.269 2.840 20 0 GFADRO CCOc1nc(N2CC[NH+](CCCOCC(F)(F)F)CC2)ncc1Cl ZINC000651300394 565855548 /nfs/dbraw/zinc/85/55/48/565855548.db2.gz BUOOZYZBDFCONG-UHFFFAOYSA-N 1 0 382.814 2.620 20 0 GFADRO [NH3+]C[C@@H]1CN([C@H]2CCN(c3ccc(Cl)cc3)C2=O)CC[C@H]1C(F)(F)F ZINC000629560488 565859131 /nfs/dbraw/zinc/85/91/31/565859131.db2.gz FIJROPHXBDCVEA-DFBGVHRSSA-N 1 0 375.822 2.904 20 0 GFADRO Cc1ccc(Cl)c(OC[C@@H](O)C[NH2+]Cc2c(C(F)(F)F)cnn2C)c1 ZINC000629597100 565861511 /nfs/dbraw/zinc/86/15/11/565861511.db2.gz IMROUBZFVVOTTN-NSHDSACASA-N 1 0 377.794 2.930 20 0 GFADRO C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629592900 565861922 /nfs/dbraw/zinc/86/19/22/565861922.db2.gz GGQAALOADIJKRY-ZOCIIQOWSA-N 1 0 394.357 2.727 20 0 GFADRO COC1CC[NH+](CCNC(=O)[C@@H]2C[C@@H]2c2ccc(Br)cc2)CC1 ZINC000674311751 565867446 /nfs/dbraw/zinc/86/74/46/565867446.db2.gz PWOZHGRDIXFHPT-IAGOWNOFSA-N 1 0 381.314 2.780 20 0 GFADRO COC1CC[NH+](CCNC(=O)CCOc2ccc(Cl)cc2Cl)CC1 ZINC000674310443 565867744 /nfs/dbraw/zinc/86/77/44/565867744.db2.gz GZYAZDXXXGRXHM-UHFFFAOYSA-N 1 0 375.296 2.989 20 0 GFADRO C[N@@H+](C[C@H](O)C1CC1)C[C@H](O)COc1ccc(Cl)cc1Br ZINC000674313242 565868395 /nfs/dbraw/zinc/86/83/95/565868395.db2.gz IYIPKPHLQQHJRY-JSGCOSHPSA-N 1 0 378.694 2.545 20 0 GFADRO CC[C@@H](C[NH+]1CCCC1)NS(=O)(=O)c1ccc(Br)c(F)c1 ZINC000674347194 565870125 /nfs/dbraw/zinc/87/01/25/565870125.db2.gz XRJNGWXYLLTCAB-NSHDSACASA-N 1 0 379.295 2.741 20 0 GFADRO CC[C@@H](C[NH+]1CCCC1)NS(=O)(=O)c1ccc(OC)c(Br)c1 ZINC000674346050 565870432 /nfs/dbraw/zinc/87/04/32/565870432.db2.gz HAYRGUDWICPEJZ-LBPRGKRZSA-N 1 0 391.331 2.610 20 0 GFADRO Cn1ncc(Br)c1C[NH2+]C1(CC(=O)OC(C)(C)C)CCOCC1 ZINC000602844646 565870651 /nfs/dbraw/zinc/87/06/51/565870651.db2.gz DKBKAXNYHAEZEV-UHFFFAOYSA-N 1 0 388.306 2.553 20 0 GFADRO C[NH2+]C1(CNC(=O)c2nn(-c3ccc(F)cc3)cc2Br)CCC1 ZINC000630000094 565879571 /nfs/dbraw/zinc/87/95/71/565879571.db2.gz FVHQJDUVNMEPKS-UHFFFAOYSA-N 1 0 381.249 2.646 20 0 GFADRO O[C@@H](C[NH+]1CCC(c2cccc(Br)c2)CC1)CC1(O)CCOCC1 ZINC000630041903 565880470 /nfs/dbraw/zinc/88/04/70/565880470.db2.gz MWMYSGVGQBANOP-GOSISDBHSA-N 1 0 398.341 2.921 20 0 GFADRO C[C@H](NC(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1)C(C)(C)C[NH+](C)C ZINC000674715239 565880967 /nfs/dbraw/zinc/88/09/67/565880967.db2.gz FPGKFSXBSUNAJZ-ZDUSSCGKSA-N 1 0 386.945 2.739 20 0 GFADRO CCOC(=O)c1ncc(Cn2cc([C@H]([NH3+])c3ccc(Cl)cc3)nn2)s1 ZINC000603243380 565892178 /nfs/dbraw/zinc/89/21/78/565892178.db2.gz AGJBUIKFKZKERY-CQSZACIVSA-N 1 0 377.857 2.661 20 0 GFADRO CCOC(=O)c1nc(N2C[C@@H](SC)[C@H]([NH+](C)C)C2)ccc1Br ZINC000603330278 565897480 /nfs/dbraw/zinc/89/74/80/565897480.db2.gz OQDZKWBAUKKTNA-VXGBXAGGSA-N 1 0 388.331 2.503 20 0 GFADRO COc1cnc(N2CCC3(CCC[N@@H+]3C)CC2)c(I)c1 ZINC000603329993 565897793 /nfs/dbraw/zinc/89/77/93/565897793.db2.gz YFTVIUNJBDRCMP-UHFFFAOYSA-N 1 0 387.265 2.759 20 0 GFADRO CC(C)[NH2+][C@H]1CCCN(C(=O)NCCOc2ncc(Cl)cc2Cl)C1 ZINC000675576341 565909158 /nfs/dbraw/zinc/90/91/58/565909158.db2.gz CIDVCJYPUGYSBL-ZDUSSCGKSA-N 1 0 375.300 2.939 20 0 GFADRO CCOc1cc(C[NH2+]C[C@@H]2CC(=O)N(CC)C2)cc(Br)c1OC ZINC000652000809 565909834 /nfs/dbraw/zinc/90/98/34/565909834.db2.gz FAYAJUNYXUKRAU-ZDUSSCGKSA-N 1 0 385.302 2.814 20 0 GFADRO CC(C)C[NH+]1CCN(C(=O)c2ccc3cncc(Br)c3n2)CC1 ZINC000630573912 565910212 /nfs/dbraw/zinc/91/02/12/565910212.db2.gz JILKRCJVFHYTCD-UHFFFAOYSA-N 1 0 377.286 2.806 20 0 GFADRO CS(=O)(=O)c1ccc(C[NH2+]CCc2ccc3c(c2)OC(F)(F)O3)s1 ZINC000652037920 565912563 /nfs/dbraw/zinc/91/25/63/565912563.db2.gz CHQRGVXUQPENLH-UHFFFAOYSA-N 1 0 375.418 2.805 20 0 GFADRO O[C@]1(CC[NH2+]Cc2cc(Br)c3c(c2)OCCCO3)CCCOC1 ZINC000652039598 565912845 /nfs/dbraw/zinc/91/28/45/565912845.db2.gz KCKXQKRGAGSROH-KRWDZBQOSA-N 1 0 386.286 2.632 20 0 GFADRO O[C@@]1(CC[NH2+]Cc2nc(-c3ccc(Br)cc3)c[nH]2)CCCOC1 ZINC000652040016 565912868 /nfs/dbraw/zinc/91/28/68/565912868.db2.gz VBINWCYCNZZACW-QGZVFWFLSA-N 1 0 380.286 2.860 20 0 GFADRO [NH3+]Cc1ccc(CNC(=O)NCCCCn2cc(Br)cn2)c(F)c1 ZINC000652185947 565918730 /nfs/dbraw/zinc/91/87/30/565918730.db2.gz YYKHORPMBXLSFQ-UHFFFAOYSA-N 1 0 398.280 2.523 20 0 GFADRO O=C(NCCC1CC[NH2+]CC1)N[C@H](c1cncc(Br)c1)C1CC1 ZINC000652190474 565918894 /nfs/dbraw/zinc/91/88/94/565918894.db2.gz PECPNQPXVMEHIX-INIZCTEOSA-N 1 0 381.318 2.984 20 0 GFADRO O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc2cncc(Br)c2n1 ZINC000630762958 565919073 /nfs/dbraw/zinc/91/90/73/565919073.db2.gz RBLMAPBMLVPEDC-STQMWFEESA-N 1 0 375.270 2.749 20 0 GFADRO C[N@@H+]1CCCC[C@H]1C(=O)N1CCN(Cc2ccc(Br)c(F)c2)CC1 ZINC000675906737 565920096 /nfs/dbraw/zinc/92/00/96/565920096.db2.gz JEVJIYYBWMZOGK-KRWDZBQOSA-N 1 0 398.320 2.717 20 0 GFADRO Cc1cc(Br)cc(NC(=O)C(=O)N(C)CC[NH+]2CCCCC2)c1 ZINC000652290709 565921422 /nfs/dbraw/zinc/92/14/22/565921422.db2.gz NTZGLIANJRRFOR-UHFFFAOYSA-N 1 0 382.302 2.640 20 0 GFADRO C[C@@H]1CCCN(CCS(=O)(=O)c2cccc(Br)c2)[C@H]1CC[NH3+] ZINC000652354536 565923263 /nfs/dbraw/zinc/92/32/63/565923263.db2.gz BOTOUCPRWMYCGV-CJNGLKHVSA-N 1 0 389.359 2.672 20 0 GFADRO Cc1cc(Br)sc1S(=O)(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000652369893 565924724 /nfs/dbraw/zinc/92/47/24/565924724.db2.gz HDULDPDQOLNGNA-LBPRGKRZSA-N 1 0 393.372 2.829 20 0 GFADRO Cc1cc(Br)cc(C)c1S(=O)(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652376346 565925468 /nfs/dbraw/zinc/92/54/68/565925468.db2.gz HDHRXNVKYGWWGP-BBRMVZONSA-N 1 0 387.343 2.815 20 0 GFADRO COc1cc(Br)c(CNC(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)cc1OC ZINC000604188799 565925578 /nfs/dbraw/zinc/92/55/78/565925578.db2.gz LDBLBEVTAWALAX-GFCCVEGCSA-N 1 0 398.301 2.502 20 0 GFADRO CC(C)(C)c1ccc(S(=O)(=O)N2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)s1 ZINC000652374567 565925734 /nfs/dbraw/zinc/92/57/34/565925734.db2.gz WCFQSMBBWKBGDS-KKUMJFAQSA-N 1 0 386.583 2.953 20 0 GFADRO C[C@H]1C[C@@H]([NH2+]C[C@@H]2CCCCN2S(=O)(=O)N(C)C)c2ccsc2S1 ZINC000676075685 565925856 /nfs/dbraw/zinc/92/58/56/565925856.db2.gz HQVBJQHTYSLPGS-KCQAQPDRSA-N 1 0 389.612 2.924 20 0 GFADRO O=S(=O)(NCCC1CC[NH2+]CC1)c1ccc(Cl)cc1Br ZINC000652384918 565927560 /nfs/dbraw/zinc/92/75/60/565927560.db2.gz UNDVJCQMZJTVGD-UHFFFAOYSA-N 1 0 381.723 2.771 20 0 GFADRO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCCN2S(=O)(=O)c2cc(F)cc(Cl)c2)C1 ZINC000652384101 565927626 /nfs/dbraw/zinc/92/76/26/565927626.db2.gz PGHOPYSCPNYFGX-VNQPRFMTSA-N 1 0 376.881 2.529 20 0 GFADRO Cc1cc(Br)cc(C)c1S(=O)(=O)NCCC1CC[NH2+]CC1 ZINC000652385473 565927634 /nfs/dbraw/zinc/92/76/34/565927634.db2.gz SSNZNWLNWORXRQ-UHFFFAOYSA-N 1 0 375.332 2.734 20 0 GFADRO O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)c1c(F)cc(Br)cc1F ZINC000676342270 565932138 /nfs/dbraw/zinc/93/21/38/565932138.db2.gz FTBUJQBLCFISRP-GFCCVEGCSA-N 1 0 389.240 2.710 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(C(=O)Nc3cncc(Br)c3)C2)C1 ZINC000652586993 565934746 /nfs/dbraw/zinc/93/47/46/565934746.db2.gz SDQHIGJIZZGRRU-KYOSRNDESA-N 1 0 383.290 2.594 20 0 GFADRO CCN(CC)c1ccc(C[NH2+]Cc2ccc(Cl)c(S(N)(=O)=O)c2)cn1 ZINC000631047144 565935425 /nfs/dbraw/zinc/93/54/25/565935425.db2.gz LZEVOCCYWSFFIX-UHFFFAOYSA-N 1 0 382.917 2.518 20 0 GFADRO O=C(NCCC1CC[NH2+]CC1)Nc1ccn(-c2ccc(Br)cc2)n1 ZINC000652606934 565936172 /nfs/dbraw/zinc/93/61/72/565936172.db2.gz BSIHDVPYNQQVMD-UHFFFAOYSA-N 1 0 392.301 2.568 20 0 GFADRO C[C@@H](Cc1ccc(F)c(Br)c1)[NH2+]Cc1cn(C[C@@H]2CCOC2)nn1 ZINC000631088921 565939416 /nfs/dbraw/zinc/93/94/16/565939416.db2.gz IQVJEMXJFKFBIK-JSGCOSHPSA-N 1 0 397.292 2.937 20 0 GFADRO C[NH+](C)CCn1c2cc(NCc3ccncc3Br)ccc2oc1=O ZINC000631096896 565939582 /nfs/dbraw/zinc/93/95/82/565939582.db2.gz CQLMWSWTIOGRRO-UHFFFAOYSA-N 1 0 391.269 2.926 20 0 GFADRO O[C@@H](COc1ccc(Br)cc1)C[N@@H+]1CCC[C@H](n2ccnc2)C1 ZINC000676477247 565939730 /nfs/dbraw/zinc/93/97/30/565939730.db2.gz FYBLGRPTEYNIFP-JKSUJKDBSA-N 1 0 380.286 2.722 20 0 GFADRO O=S(=O)(C[C@H](O)C[NH2+]Cc1ccc(CC(F)(F)F)cc1)c1cccs1 ZINC000631099300 565941554 /nfs/dbraw/zinc/94/15/54/565941554.db2.gz IDAOWFVIGKFZDP-CQSZACIVSA-N 1 0 393.452 2.777 20 0 GFADRO C[C@H](CCNS(=O)(=O)c1ccccc1)[NH2+]Cc1ccncc1Br ZINC000631130268 565942919 /nfs/dbraw/zinc/94/29/19/565942919.db2.gz DRJUDABZPQLSBJ-CYBMUJFWSA-N 1 0 398.326 2.691 20 0 GFADRO CC(C)(C)S(=O)(=O)N1CCC([NH2+]Cc2ccncc2Br)CC1 ZINC000631120802 565943295 /nfs/dbraw/zinc/94/32/95/565943295.db2.gz LGSYUWWLDUEHNV-UHFFFAOYSA-N 1 0 390.347 2.526 20 0 GFADRO NS(=O)(=O)c1cc(C[NH2+]C[C@H]2CC[C@@H](c3ccccc3)O2)ccc1Cl ZINC000631139456 565943744 /nfs/dbraw/zinc/94/37/44/565943744.db2.gz RCWPCMKNYWGALX-WBVHZDCISA-N 1 0 380.897 2.997 20 0 GFADRO CCc1n[nH]c(C(=O)N2CCN(C)C[C@H]2Cc2ccccc2)c1Br ZINC000652882473 565944660 /nfs/dbraw/zinc/94/46/60/565944660.db2.gz UHTLLYXZKMECDF-CQSZACIVSA-N 1 0 391.313 2.734 20 0 GFADRO Brc1cccc2c1C[C@@H]1[C@H]([NH2+]Cc3cn(Cc4cccnc4)nn3)[C@H]21 ZINC000631190368 565946593 /nfs/dbraw/zinc/94/65/93/565946593.db2.gz AGSXAUJHXPRTJC-UHOSZYNNSA-N 1 0 396.292 2.912 20 0 GFADRO CN(CC[NH+]1CCCCC1)C(=O)c1ccc(Br)cc1-n1cncn1 ZINC000652991342 565950461 /nfs/dbraw/zinc/95/04/61/565950461.db2.gz ZPJBXSGCTAIVBV-UHFFFAOYSA-N 1 0 392.301 2.588 20 0 GFADRO CC(C)(CO)[NH+]1CCN(Cc2nnc(-c3ccc(Cl)cc3Cl)o2)CC1 ZINC000605421167 565950781 /nfs/dbraw/zinc/95/07/81/565950781.db2.gz YLGFPLSQAKXJKY-UHFFFAOYSA-N 1 0 385.295 2.932 20 0 GFADRO COc1cc(CNC(=O)c2ccccc2CC[NH3+])cc(Br)c1OC ZINC000653083302 565954310 /nfs/dbraw/zinc/95/43/10/565954310.db2.gz VEOWYVBAQADBEF-UHFFFAOYSA-N 1 0 393.281 2.898 20 0 GFADRO CN(C(=O)[C@@H](N)CC[NH+](C)C)[C@H]1CCSc2ccc(Br)cc21 ZINC000653086672 565954557 /nfs/dbraw/zinc/95/45/57/565954557.db2.gz ZFDUBZZZNTVQCL-KBPBESRZSA-N 1 0 386.359 2.723 20 0 GFADRO O=C(NC[C@@H]1CCN(c2cccc(Br)c2)C1)[C@@H]1CCC[NH2+]CC1 ZINC000653113121 565955053 /nfs/dbraw/zinc/95/50/53/565955053.db2.gz TWUAOJSNLBCNPB-LSDHHAIUSA-N 1 0 380.330 2.781 20 0 GFADRO O=C(NCc1noc(-c2cccc(Br)c2)n1)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653160607 565956187 /nfs/dbraw/zinc/95/61/87/565956187.db2.gz OSMVWEXNDLQWER-UONOGXRCSA-N 1 0 391.269 2.646 20 0 GFADRO O=C([C@@H]1CCC[NH2+]CC1)N1CCN(Cc2cc(Br)ccc2F)CC1 ZINC000653161129 565957414 /nfs/dbraw/zinc/95/74/14/565957414.db2.gz DSIKOLHOSSSXPH-CQSZACIVSA-N 1 0 398.320 2.622 20 0 GFADRO CC(C)c1n[nH]c(C(=O)N2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)c1Br ZINC000653186021 565957684 /nfs/dbraw/zinc/95/76/84/565957684.db2.gz GEGGBHMDNWOBRE-YNEHKIRRSA-N 1 0 399.333 2.654 20 0 GFADRO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCN(C(=O)Cc3ccccc3Br)C2)C1 ZINC000653188594 565958274 /nfs/dbraw/zinc/95/82/74/565958274.db2.gz MLUAVWYBHPASFK-ZMSDIMECSA-N 1 0 381.314 2.737 20 0 GFADRO COc1ccc(CCC(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)cc1Br ZINC000653196311 565958428 /nfs/dbraw/zinc/95/84/28/565958428.db2.gz FMBJDGVESYZKGK-KSSFIOAISA-N 1 0 381.314 2.978 20 0 GFADRO COc1ccc(C(=O)N2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)cc1Br ZINC000653190785 565958534 /nfs/dbraw/zinc/95/85/34/565958534.db2.gz OIQWPBJSUBLAJI-JJRVBVJISA-N 1 0 397.313 2.816 20 0 GFADRO C[C@@H](Oc1ccc(F)cc1Br)C(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000653196224 565958631 /nfs/dbraw/zinc/95/86/31/565958631.db2.gz ALIFYZTXNFGBDY-PEBVRCNWSA-N 1 0 385.277 2.943 20 0 GFADRO C[C@H]1C[C@@H](N(C)C(=O)c2ccc3cncc(Br)c3n2)CC[N@@H+]1C ZINC000631469864 565958865 /nfs/dbraw/zinc/95/88/65/565958865.db2.gz UGFDOLPJNWTZAT-AAEUAGOBSA-N 1 0 377.286 2.947 20 0 GFADRO [NH3+]C1CCC(OCC(=O)N2CCN(c3cc(Cl)ccc3Cl)CC2)CC1 ZINC000653198671 565959704 /nfs/dbraw/zinc/95/97/04/565959704.db2.gz HSDYULSDRQJBRG-UHFFFAOYSA-N 1 0 386.323 2.929 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2C(=O)c2[nH]nc(C3CC3)c2Br)C1 ZINC000653263285 565960459 /nfs/dbraw/zinc/96/04/59/565960459.db2.gz NZDVWLZTXPBUKM-AGIUHOORSA-N 1 0 397.317 2.551 20 0 GFADRO O=C(CN1CCC[N@H+](C[C@H]2CCCO2)CC1)Nc1ccc(Br)cc1 ZINC000606436415 565963312 /nfs/dbraw/zinc/96/33/12/565963312.db2.gz BWDMOSFGKQFPFX-QGZVFWFLSA-N 1 0 396.329 2.574 20 0 GFADRO CC[N@@H+]1CCN(C(=O)[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C[C@@H]1C ZINC000677194079 565963610 /nfs/dbraw/zinc/96/36/10/565963610.db2.gz QCXGCZRVQSORCK-GXTWGEPZSA-N 1 0 384.307 2.899 20 0 GFADRO CC(C)C[N@H+](C)CCCNC(=O)C(=O)N[C@@H](C)c1ccc(Br)cc1 ZINC000653383618 565966163 /nfs/dbraw/zinc/96/61/63/565966163.db2.gz UPGLVYCEPNQGLG-AWEZNQCLSA-N 1 0 398.345 2.720 20 0 GFADRO COc1ccc(Br)cc1CNC(=O)N[C@H](C)C1CC[NH+](C)CC1 ZINC000606662095 565968670 /nfs/dbraw/zinc/96/86/70/565968670.db2.gz MRMJGZWEJSNHKD-GFCCVEGCSA-N 1 0 384.318 2.987 20 0 GFADRO C[C@@H](NC(=O)N1CCC(n2cc(Br)cn2)CC1)C1CC[NH+](C)CC1 ZINC000606702037 565969655 /nfs/dbraw/zinc/96/96/55/565969655.db2.gz OEPFOYWENFZSOG-CYBMUJFWSA-N 1 0 398.349 2.722 20 0 GFADRO O=S(=O)(c1cscc1Br)N1CCC([NH2+]CC2CC2)CC1 ZINC000631906693 565982136 /nfs/dbraw/zinc/98/21/36/565982136.db2.gz TUSYLKZZVGCLFF-UHFFFAOYSA-N 1 0 379.345 2.663 20 0 GFADRO COCCO[C@@H]1CCC[N@H+](C[C@@H](O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000677710811 565982262 /nfs/dbraw/zinc/98/22/62/565982262.db2.gz VFHVCNDWBDZGPB-UKRRQHHQSA-N 1 0 378.296 2.861 20 0 GFADRO C[C@@H](c1cccs1)N(Cc1ccccc1)S(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000631916047 565983757 /nfs/dbraw/zinc/98/37/57/565983757.db2.gz RZETZGWGJPJVQM-DOTOQJQBSA-N 1 0 380.535 2.630 20 0 GFADRO O=c1cc(C[N@@H+]2CCC[C@H](OC3CCC3)C2)nc2ccc(Br)cn12 ZINC000653813834 565983817 /nfs/dbraw/zinc/98/38/17/565983817.db2.gz FUKCNGDCNPXINM-INIZCTEOSA-N 1 0 392.297 2.991 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)C(=O)CS(=O)(=O)Cc2ccc(Cl)s2)[C@H](C)C1 ZINC000607521375 565985383 /nfs/dbraw/zinc/98/53/83/565985383.db2.gz PDICIZXDPQNOJX-OCCSQVGLSA-N 1 0 392.974 2.505 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)Cc2csc(NC(=O)c3cccs3)n2)CC[N@@H+]1C ZINC000607688303 565987674 /nfs/dbraw/zinc/98/76/74/565987674.db2.gz YQBZWJORJRXMFS-NEPJUHHUSA-N 1 0 378.523 2.598 20 0 GFADRO C[C@@H](NC(=O)N[C@H](CO)c1ccc(Br)cc1)C1CC[NH+](C)CC1 ZINC000678112731 565999807 /nfs/dbraw/zinc/99/98/07/565999807.db2.gz DDERAJVJVSRHJP-MLGOLLRUSA-N 1 0 384.318 2.512 20 0 GFADRO NC(=O)C[N@H+](Cc1cc(Br)c2c(c1)OCCCO2)C1CCCC1 ZINC000678135918 566000760 /nfs/dbraw/zinc/00/07/60/566000760.db2.gz KCNRBWRSSDGMFZ-UHFFFAOYSA-N 1 0 383.286 2.840 20 0 GFADRO COCC[N@@H+]1CCC[C@H](NC(=O)[C@H](C)c2ccc(Br)s2)C1 ZINC000608128712 566005136 /nfs/dbraw/zinc/00/51/36/566005136.db2.gz DAVZBAXXCSBQIU-NEPJUHHUSA-N 1 0 375.332 2.841 20 0 GFADRO C[NH+]1CCC2(CCCN2S(=O)(=O)c2cscc2Br)CC1 ZINC000632169968 566006605 /nfs/dbraw/zinc/00/66/05/566006605.db2.gz LPGKMFWKQREPOK-UHFFFAOYSA-N 1 0 379.345 2.760 20 0 GFADRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)N[C@@H]2CCN(c3ccc(Br)cc3)C2)C1 ZINC000654427003 566009758 /nfs/dbraw/zinc/00/97/58/566009758.db2.gz YRWKCJSTMBIZNW-UNEWFSDZSA-N 1 0 395.345 2.667 20 0 GFADRO O=S1(=O)CCCN1CCC[NH2+][C@H]1CCc2ccc(OC(F)(F)F)cc21 ZINC000678582863 566013319 /nfs/dbraw/zinc/01/33/19/566013319.db2.gz NKGKRBCCUIYDJP-HNNXBMFYSA-N 1 0 378.416 2.588 20 0 GFADRO COCCOC[C@H]1CC[N@H+](C[C@@H](O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000608504903 566015625 /nfs/dbraw/zinc/01/56/25/566015625.db2.gz JBBJMPWKJYFIJO-UONOGXRCSA-N 1 0 378.296 2.718 20 0 GFADRO Cc1c(Br)cccc1CNC(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000654642486 566017671 /nfs/dbraw/zinc/01/76/71/566017671.db2.gz CSEPWGZCDCQIML-HNNXBMFYSA-N 1 0 396.329 2.621 20 0 GFADRO COC1CC[NH+](CCNC(=O)Nc2cc(F)c(Br)c(F)c2)CC1 ZINC000678766673 566019298 /nfs/dbraw/zinc/01/92/98/566019298.db2.gz WAPOEKWPADRNBD-UHFFFAOYSA-N 1 0 392.244 2.960 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CNC(=O)N(C)CCOc1ccc(Br)cc1 ZINC000608698193 566021014 /nfs/dbraw/zinc/02/10/14/566021014.db2.gz KSCRNZINCKZIND-HNNXBMFYSA-N 1 0 384.318 2.954 20 0 GFADRO C[NH+]1CCC(CCO)(NC(=O)c2oc3ccccc3c2Br)CC1 ZINC000632321664 566021238 /nfs/dbraw/zinc/02/12/38/566021238.db2.gz DGYCHRMZTBBEEJ-UHFFFAOYSA-N 1 0 381.270 2.772 20 0 GFADRO CO[C@H](C(=O)N1CCC(OCC[NH+](C)C)CC1)c1ccccc1Br ZINC000654777804 566022295 /nfs/dbraw/zinc/02/22/95/566022295.db2.gz CRSUUMDVIIONSU-KRWDZBQOSA-N 1 0 399.329 2.706 20 0 GFADRO COc1cc(CNC2CC[NH+](C[C@H]3CCCO3)CC2)c(Br)cc1O ZINC000678930945 566025586 /nfs/dbraw/zinc/02/55/86/566025586.db2.gz WGOKVRYMUPTSMC-OAHLLOKOSA-N 1 0 399.329 2.896 20 0 GFADRO Cc1cc(Cl)c(Br)cc1S(=O)(=O)N1CC(C[NH+](C)C)C1 ZINC000632382817 566027050 /nfs/dbraw/zinc/02/70/50/566027050.db2.gz JADQEXHBXVDQRF-UHFFFAOYSA-N 1 0 381.723 2.593 20 0 GFADRO CO[C@H](C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1)c1ccccc1Br ZINC000654899240 566028212 /nfs/dbraw/zinc/02/82/12/566028212.db2.gz FIRMYSYIGRPFDU-PBHICJAKSA-N 1 0 397.313 2.506 20 0 GFADRO CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cc(C)ccc1Br ZINC000632408600 566029217 /nfs/dbraw/zinc/02/92/17/566029217.db2.gz NNLLZAXEPNLTEU-UHFFFAOYSA-N 1 0 375.332 2.862 20 0 GFADRO CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cccc(Br)c1F ZINC000632408785 566029459 /nfs/dbraw/zinc/02/94/59/566029459.db2.gz VEYOIEHYHQKUIR-UHFFFAOYSA-N 1 0 379.295 2.693 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000654945482 566031054 /nfs/dbraw/zinc/03/10/54/566031054.db2.gz BWGCXDTVWDRNJO-HOCLYGCPSA-N 1 0 394.313 2.829 20 0 GFADRO Cc1cccc(NC(=O)C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)c1Br ZINC000654948625 566031675 /nfs/dbraw/zinc/03/16/75/566031675.db2.gz DWMITHRUIULOKA-DZGCQCFKSA-N 1 0 394.313 2.829 20 0 GFADRO O=C(Nc1ccc(Br)cc1)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000654947396 566031974 /nfs/dbraw/zinc/03/19/74/566031974.db2.gz TYTKPYGRSAFHIR-LSDHHAIUSA-N 1 0 380.286 2.521 20 0 GFADRO COCCN1CC[C@H]([NH2+][C@H](c2ccc(Br)cc2)[C@H]2CCCO2)C1 ZINC000679341103 566038314 /nfs/dbraw/zinc/03/83/14/566038314.db2.gz JNMJHIVLNYDLJJ-RCCFBDPRSA-N 1 0 383.330 2.980 20 0 GFADRO C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@H]2c2ccccc2I)C1 ZINC000609610207 566046787 /nfs/dbraw/zinc/04/67/87/566046787.db2.gz TWVPYVNOSCUHIW-DOMZBBRYSA-N 1 0 384.261 2.906 20 0 GFADRO C[C@@H](CNC(=O)c1cc(I)c[nH]1)[N@@H+]1CCCC[C@H]1C ZINC000609659763 566049189 /nfs/dbraw/zinc/04/91/89/566049189.db2.gz VPHBIMDWCJBKLS-MNOVXSKESA-N 1 0 375.254 2.612 20 0 GFADRO O=C(c1sc2ccccc2c1Br)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000655293897 566050807 /nfs/dbraw/zinc/05/08/07/566050807.db2.gz CVKBPLRCSGBCHZ-WDEREUQCSA-N 1 0 381.295 2.555 20 0 GFADRO O=C(N[C@@H]1CCN(c2ccccc2Br)C1)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000655447603 566057265 /nfs/dbraw/zinc/05/72/65/566057265.db2.gz ASIDCJVYTNTIMY-QWQRMKEZSA-N 1 0 378.314 2.534 20 0 GFADRO O[C@@H](COc1ccc(Cl)c(Cl)c1)C[N@@H+]1CCOCC2(CCOCC2)C1 ZINC000680134257 566063442 /nfs/dbraw/zinc/06/34/42/566063442.db2.gz ZXHDBBGTKPMYTC-CQSZACIVSA-N 1 0 390.307 2.862 20 0 GFADRO CS[C@H](CO)[C@H](C)NC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000610099787 566066723 /nfs/dbraw/zinc/06/67/23/566066723.db2.gz OBVCZTHVVKFBSW-IAOVAPTHSA-N 1 0 385.961 2.889 20 0 GFADRO Cc1cc(Br)cn2c(CN3CC[NH+](C[C@@H]4CCCO4)CC3)cnc12 ZINC000680326069 566067167 /nfs/dbraw/zinc/06/71/67/566067167.db2.gz BILLBIWSHGSRCT-KRWDZBQOSA-N 1 0 393.329 2.702 20 0 GFADRO Cc1c(Br)cccc1CS(=O)(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000655552254 566067188 /nfs/dbraw/zinc/06/71/88/566067188.db2.gz MLOZQVNBDPAHRD-BBRMVZONSA-N 1 0 387.343 2.613 20 0 GFADRO COc1cc(NC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)ncc1Br ZINC000680368545 566068377 /nfs/dbraw/zinc/06/83/77/566068377.db2.gz PFMUUWKMPBYZBS-LBPRGKRZSA-N 1 0 383.290 2.802 20 0 GFADRO O=C1CNC(=O)N1CC[NH2+][C@H](CC(F)(F)F)c1ccc(Br)cc1 ZINC000680433822 566071153 /nfs/dbraw/zinc/07/11/53/566071153.db2.gz ZRHQQPXAGBLKNY-LLVKDONJSA-N 1 0 394.191 2.584 20 0 GFADRO O=C(c1cn(-c2ccc(Br)cc2)cn1)N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000632872743 566072490 /nfs/dbraw/zinc/07/24/90/566072490.db2.gz AWEGRKXYIWGMSM-SUMWQHHRSA-N 1 0 389.297 2.849 20 0 GFADRO CC[C@H](O)CCC[NH2+]Cc1cc(I)c(OC)c(OC)c1 ZINC000610271006 566075895 /nfs/dbraw/zinc/07/58/95/566075895.db2.gz ASCODODRZSIXLW-LBPRGKRZSA-N 1 0 393.265 2.949 20 0 GFADRO O=C(Nc1cccc(Br)c1Cl)N1CCC([NH2+]CCO)CC1 ZINC000632944497 566076394 /nfs/dbraw/zinc/07/63/94/566076394.db2.gz MMBMWCZOJOIRDE-UHFFFAOYSA-N 1 0 376.682 2.681 20 0 GFADRO CC[C@H](C[NH+]1CCCC1)NS(=O)(=O)c1cc(Br)cc(OC)c1 ZINC000680623498 566077581 /nfs/dbraw/zinc/07/75/81/566077581.db2.gz SBMWGCBCRQARSC-CYBMUJFWSA-N 1 0 391.331 2.610 20 0 GFADRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1cc(Br)c2nccn2c1 ZINC000633032897 566080729 /nfs/dbraw/zinc/08/07/29/566080729.db2.gz NTOXTJVWKZRLRE-JSGCOSHPSA-N 1 0 377.286 2.796 20 0 GFADRO [NH3+]C[C@H]1CC[C@H](NC(=O)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000633036493 566080748 /nfs/dbraw/zinc/08/07/48/566080748.db2.gz KWAZQTPIPPLMPX-HOMQSWHASA-N 1 0 377.794 2.931 20 0 GFADRO Cc1ccc(NC(=O)C(=O)N[C@@H]2CC[NH2+]CC(C)(C)C2)c(Br)c1 ZINC000633047420 566081948 /nfs/dbraw/zinc/08/19/48/566081948.db2.gz OMOZDQJDYRBTSK-GFCCVEGCSA-N 1 0 382.302 2.590 20 0 GFADRO CN1CCC[N@H+](CCCNc2ncnc3cc(F)c(Br)cc32)CC1 ZINC000680828459 566082835 /nfs/dbraw/zinc/08/28/35/566082835.db2.gz BSNLPVVIMHAZIK-UHFFFAOYSA-N 1 0 396.308 2.971 20 0 GFADRO CN1CC[C@H]([NH+]2CCC(NC(=O)c3cc(Cl)cc(Cl)c3F)CC2)C1=O ZINC000633062023 566083174 /nfs/dbraw/zinc/08/31/74/566083174.db2.gz MXVRPOHUUXQXKV-AWEZNQCLSA-N 1 0 388.270 2.557 20 0 GFADRO Cc1nn(-c2ccccc2Br)cc1C[NH2+][C@H]1CCC(=O)N(C)C1 ZINC000655743016 566085732 /nfs/dbraw/zinc/08/57/32/566085732.db2.gz XZPZUQPTCFXEDX-AWEZNQCLSA-N 1 0 377.286 2.654 20 0 GFADRO COC[C@@](C)(CCO)[NH2+]Cc1cn(-c2ccccc2Br)nc1C ZINC000655744915 566086240 /nfs/dbraw/zinc/08/62/40/566086240.db2.gz XEYQVPYGVSOYST-QGZVFWFLSA-N 1 0 382.302 2.820 20 0 GFADRO CCN(C)C(=O)[C@H](C)[NH2+]Cc1cn(-c2ccccc2Br)nc1C ZINC000655765276 566087251 /nfs/dbraw/zinc/08/72/51/566087251.db2.gz COJQPEUIMPEZHV-ZDUSSCGKSA-N 1 0 379.302 2.900 20 0 GFADRO C[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3[C@@H]4c5ccc(Br)cc5C[C@H]34)C2)C1 ZINC000633188460 566088515 /nfs/dbraw/zinc/08/85/15/566088515.db2.gz MXOGVFNCQDBVCA-FAJBIJEISA-N 1 0 375.310 2.889 20 0 GFADRO Cc1nn(-c2cccc(Br)c2)cc1C[NH2+][C@H](CO)[C@H]1CCCOC1 ZINC000655781159 566088535 /nfs/dbraw/zinc/08/85/35/566088535.db2.gz AHIDSJUFKFGRJZ-KBXCAEBGSA-N 1 0 394.313 2.820 20 0 GFADRO CSc1nnc(CNC(=O)N[C@H]2CC[N@H+](Cc3ccc(C)cc3)C2)s1 ZINC000633180193 566088884 /nfs/dbraw/zinc/08/88/84/566088884.db2.gz KBTGHLOSNKVSHT-AWEZNQCLSA-N 1 0 377.539 2.642 20 0 GFADRO C[C@H](c1ccccc1)[C@H](CO)[NH2+]C[C@H](O)COc1ccc(Br)cc1 ZINC000680989609 566090698 /nfs/dbraw/zinc/09/06/98/566090698.db2.gz DQDXUTBTDKPEKL-LJHODMEESA-N 1 0 394.309 2.943 20 0 GFADRO CCOc1cc(C[NH2+][C@H]2CCc3c(nnn3C)C2)cc(Br)c1OC ZINC000655841985 566093036 /nfs/dbraw/zinc/09/30/36/566093036.db2.gz LQZRJQLZKYDUSK-LBPRGKRZSA-N 1 0 395.301 2.632 20 0 GFADRO CC(C)(COc1ncc(Cl)cc1Cl)NC(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000655922337 566096392 /nfs/dbraw/zinc/09/63/92/566096392.db2.gz PTNBXKXHVZBVCR-VIFPVBQESA-N 1 0 389.205 2.735 20 0 GFADRO COc1ccc(Cl)cc1-c1cc(NC(=O)N[C@@H](C[NH3+])C(F)(F)F)n[nH]1 ZINC000655931606 566096572 /nfs/dbraw/zinc/09/65/72/566096572.db2.gz MAFFYXCUMMRWHC-NSHDSACASA-N 1 0 377.754 2.750 20 0 GFADRO Cc1c(Br)cccc1CS(=O)(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000655949967 566097888 /nfs/dbraw/zinc/09/78/88/566097888.db2.gz GPSKNAMETVPKAN-DOMZBBRYSA-N 1 0 375.332 2.694 20 0 GFADRO Cc1c(Br)cccc1CS(=O)(=O)N1CCCC[C@H]1[C@H](C)[NH3+] ZINC000655949625 566098259 /nfs/dbraw/zinc/09/82/59/566098259.db2.gz ZRZXNNLUEJSCNG-WFASDCNBSA-N 1 0 375.332 2.789 20 0 GFADRO O=C(NCC[NH+]1CCC(O)CC1)c1cccc2c(Br)cccc12 ZINC000633344639 566098464 /nfs/dbraw/zinc/09/84/64/566098464.db2.gz ZCGWNQZKHYBQGZ-UHFFFAOYSA-N 1 0 377.282 2.789 20 0 GFADRO Cc1c(Br)cccc1CS(=O)(=O)N1CCCC[C@@H]1CC[NH3+] ZINC000655953120 566098783 /nfs/dbraw/zinc/09/87/83/566098783.db2.gz VMFRROYTCDFGEU-CQSZACIVSA-N 1 0 375.332 2.791 20 0 GFADRO CC[C@H]([NH2+]C[C@@H]1CN(C)CCN1C)c1ccc(I)cc1 ZINC000610815018 566101462 /nfs/dbraw/zinc/10/14/62/566101462.db2.gz IXKNGSDYQYDGEU-CVEARBPZSA-N 1 0 387.309 2.578 20 0 GFADRO Cc1ccc(CCC(=O)N2CC[NH+](C(C)(C)CO)CC2)c(Br)c1 ZINC000681329447 566102289 /nfs/dbraw/zinc/10/22/89/566102289.db2.gz LNZNCPGSMSYYNO-UHFFFAOYSA-N 1 0 383.330 2.605 20 0 GFADRO O=C(c1ccc(Br)s1)N1CCc2[nH]cnc2C12CCOCC2 ZINC000633524818 566108331 /nfs/dbraw/zinc/10/83/31/566108331.db2.gz QNRIBMULCRLALE-UHFFFAOYSA-N 1 0 382.283 2.938 20 0 GFADRO NS(=O)(=O)c1ccc(N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1C(F)(F)F ZINC000656225141 566114224 /nfs/dbraw/zinc/11/42/24/566114224.db2.gz DQQJFZIAVVESQQ-KBPBESRZSA-N 1 0 377.432 2.782 20 0 GFADRO Cc1nn(-c2ccccc2Br)cc1C[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000656249018 566116169 /nfs/dbraw/zinc/11/61/69/566116169.db2.gz MVZMPHXLUHZMDM-CYBMUJFWSA-N 1 0 377.286 2.641 20 0 GFADRO Cc1nn(-c2cccc(Br)c2)cc1C[N@@H+]1CC[C@@H](n2cncn2)C1 ZINC000656255430 566117157 /nfs/dbraw/zinc/11/71/57/566117157.db2.gz JIZLPXHERXJNEG-QGZVFWFLSA-N 1 0 387.285 2.982 20 0 GFADRO Cc1nn(-c2cccc(Br)c2)cc1C[N@@H+](CCO)[C@H]1CCO[C@H]1C ZINC000656261426 566120197 /nfs/dbraw/zinc/12/01/97/566120197.db2.gz AQPLNIXDTYCCNE-KSSFIOAISA-N 1 0 394.313 2.915 20 0 GFADRO O[C@@H](COc1ccc(Cl)c(Cl)c1)C[NH+]1CCC(Cn2cncn2)CC1 ZINC000681703464 566123271 /nfs/dbraw/zinc/12/32/71/566123271.db2.gz BLMBSGVYMNMJHJ-CQSZACIVSA-N 1 0 385.295 2.737 20 0 GFADRO C[C@@H](CNC(=O)C(=O)NCCCc1c(Cl)cccc1Cl)[N@H+](C)C1CC1 ZINC000656309486 566123667 /nfs/dbraw/zinc/12/36/67/566123667.db2.gz MBHDXQQJYCVSEV-LBPRGKRZSA-N 1 0 386.323 2.641 20 0 GFADRO COC(=O)c1cc(NC(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)ccc1Br ZINC000611391787 566128383 /nfs/dbraw/zinc/12/83/83/566128383.db2.gz PQLLNVZHTBHLNR-CYBMUJFWSA-N 1 0 396.285 2.842 20 0 GFADRO O=C(NC1CC[NH2+]CC1)N1CCc2[nH]c3c(cccc3Br)c2C1 ZINC000633932561 566131549 /nfs/dbraw/zinc/13/15/49/566131549.db2.gz UTIQBVITDNHVHT-UHFFFAOYSA-N 1 0 377.286 2.750 20 0 GFADRO CN(CCC(=O)Nc1cc(I)ccc1O)c1cc[nH+]cc1 ZINC000611529040 566134670 /nfs/dbraw/zinc/13/46/70/566134670.db2.gz KSASKOSUHZISGA-UHFFFAOYSA-N 1 0 397.216 2.857 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1cnc2ncc(Br)cc2c1 ZINC000681961228 566135408 /nfs/dbraw/zinc/13/54/08/566135408.db2.gz JTHKOTXDJOPNGZ-CABCVRRESA-N 1 0 375.270 2.749 20 0 GFADRO C[C@H]1CCCC[N@@H+]1CCNC(=O)c1cnc2ncc(Br)cc2c1 ZINC000681960206 566135509 /nfs/dbraw/zinc/13/55/09/566135509.db2.gz BPUUKGLEOTXNNT-LBPRGKRZSA-N 1 0 377.286 2.997 20 0 GFADRO Cn1ncc(Br)c1CNC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000633993133 566136579 /nfs/dbraw/zinc/13/65/79/566136579.db2.gz UKMUIPTWISIYRS-UHFFFAOYSA-N 1 0 377.286 2.708 20 0 GFADRO Brc1ccc(-c2noc(-c3cn([C@H]4CCC[NH2+]CC4)nn3)n2)o1 ZINC000656559923 566141133 /nfs/dbraw/zinc/14/11/33/566141133.db2.gz AQNFUNXJDBHUOC-VIFPVBQESA-N 1 0 379.218 2.665 20 0 GFADRO C[NH+]1CCC2(CCCN2C(=O)C(=O)Nc2c(F)cccc2Br)CC1 ZINC000682290353 566150020 /nfs/dbraw/zinc/15/00/20/566150020.db2.gz YFWIISAXHMPSHK-UHFFFAOYSA-N 1 0 398.276 2.614 20 0 GFADRO O=S1(=O)CC(CC[NH2+]Cc2cccc(Br)c2OC(F)F)C1 ZINC000682474289 566155519 /nfs/dbraw/zinc/15/55/19/566155519.db2.gz AGFKBBFKFXLKGY-UHFFFAOYSA-N 1 0 384.242 2.575 20 0 GFADRO NC(=O)[C@H](Cc1ccc(F)cc1)[NH2+][C@@H]1[C@H]2Cc3cc(Br)ccc3[C@@H]12 ZINC000634577569 566160492 /nfs/dbraw/zinc/16/04/92/566160492.db2.gz OTOFOALHIMAVPE-WNRNVDISSA-N 1 0 389.268 2.913 20 0 GFADRO CC(C)C(=O)NC1CC[NH+](C[C@@H](O)COc2cc(Cl)cc(Cl)c2)CC1 ZINC000634642062 566162018 /nfs/dbraw/zinc/16/20/18/566162018.db2.gz DNYZMDWZRCGVBY-MRXNPFEDSA-N 1 0 389.323 2.970 20 0 GFADRO O[C@@]1(CSc2nnc(N3CCCC3)s2)CC[N@H+](Cc2ccccc2)C1 ZINC000634644064 566162952 /nfs/dbraw/zinc/16/29/52/566162952.db2.gz NQGGKGZQMHRYDY-SFHVURJKSA-N 1 0 376.551 2.867 20 0 GFADRO CCCN(CCC[NH+](C)C)C(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000682587857 566165003 /nfs/dbraw/zinc/16/50/03/566165003.db2.gz VPYZNFNSTYXKPV-UHFFFAOYSA-N 1 0 386.945 2.837 20 0 GFADRO CC(C)[C@H](C[NH2+][C@H](C(N)=O)c1ccc(Br)cc1F)c1ccnn1C ZINC000682614235 566166278 /nfs/dbraw/zinc/16/62/78/566166278.db2.gz UPCWVJRFENPTGC-BBRMVZONSA-N 1 0 397.292 2.878 20 0 GFADRO CS(=O)(=O)[C@@H]1CCC[C@@H]([NH2+]C[C@@H](O)COc2cc(Cl)cc(Cl)c2)C1 ZINC000634706471 566170562 /nfs/dbraw/zinc/17/05/62/566170562.db2.gz PRZOFIRIJOIDQX-IIAWOOMASA-N 1 0 396.336 2.679 20 0 GFADRO O[C@H](C[NH2+][C@H]1C[C@H](c2ccc(Br)cc2)C1)CC1(O)CCOCC1 ZINC000634713864 566171995 /nfs/dbraw/zinc/17/19/95/566171995.db2.gz BVABKTAJOUHXFS-XIRDDKMYSA-N 1 0 384.314 2.577 20 0 GFADRO COCC[C@@H]([NH2+]C[C@@H](O)CC1(O)CCOCC1)c1ccc(Cl)c(Cl)c1 ZINC000634714031 566172425 /nfs/dbraw/zinc/17/24/25/566172425.db2.gz FFUKUSBJJQVDPL-WMLDXEAASA-N 1 0 392.323 2.953 20 0 GFADRO Cn1ncc(Br)c1C[NH2+]C[C@H](O)Cc1ccccc1C(F)(F)F ZINC000634726288 566172743 /nfs/dbraw/zinc/17/27/43/566172743.db2.gz PNTUCDKKTZBBGE-LLVKDONJSA-N 1 0 392.219 2.895 20 0 GFADRO Cn1nc2cc(Br)ccc2c1C(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000634764273 566174553 /nfs/dbraw/zinc/17/45/53/566174553.db2.gz OXPMZMNOPPYRQF-GFCCVEGCSA-N 1 0 379.302 2.844 20 0 GFADRO CCC[NH+](CCC)CCCNS(=O)(=O)c1ncccc1Br ZINC000656895302 566177570 /nfs/dbraw/zinc/17/75/70/566177570.db2.gz XFXZCKBOWAFXNM-UHFFFAOYSA-N 1 0 378.336 2.635 20 0 GFADRO Cc1ccc(C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)c(C)c1Br ZINC000682939580 566177906 /nfs/dbraw/zinc/17/79/06/566177906.db2.gz UKAVYJMXSKMNSS-ZDUSSCGKSA-N 1 0 383.330 2.983 20 0 GFADRO C[C@]1(NC(=O)NCC2(c3ccc(Br)cc3)CCOCC2)CC[NH2+]C1 ZINC000612873933 566178293 /nfs/dbraw/zinc/17/82/93/566178293.db2.gz AMHIOBPZEQMYQH-KRWDZBQOSA-N 1 0 396.329 2.549 20 0 GFADRO C[C@@H](CNS(=O)(=O)c1ncccc1Br)[N@H+](C)Cc1ccccc1 ZINC000656898325 566178938 /nfs/dbraw/zinc/17/89/38/566178938.db2.gz MEGLUQQGXJXKNJ-ZDUSSCGKSA-N 1 0 398.326 2.643 20 0 GFADRO C[NH+]1CCC(n2cc(NS(=O)(=O)CCc3cccc(Cl)c3)cn2)CC1 ZINC000634795147 566179240 /nfs/dbraw/zinc/17/92/40/566179240.db2.gz JODDVFUVLZOBEU-UHFFFAOYSA-N 1 0 382.917 2.788 20 0 GFADRO O=C(N[C@@H]1CC12CC[NH2+]CC2)N[C@H]1CCOc2c(Br)cccc21 ZINC000612990866 566181354 /nfs/dbraw/zinc/18/13/54/566181354.db2.gz YAMSHMYGWOIYKH-UONOGXRCSA-N 1 0 380.286 2.714 20 0 GFADRO O=C(N[C@H]1CC12CC[NH2+]CC2)N1CCN(c2c(Cl)cccc2Cl)CC1 ZINC000612980242 566181359 /nfs/dbraw/zinc/18/13/59/566181359.db2.gz NUQIKBZZDRPJRB-HNNXBMFYSA-N 1 0 383.323 2.967 20 0 GFADRO COc1cc(Br)ccc1CCCNC(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000612979574 566181542 /nfs/dbraw/zinc/18/15/42/566181542.db2.gz GLSMYVIRKWMYEH-INIZCTEOSA-N 1 0 396.329 2.832 20 0 GFADRO CCn1ccc(C[N@H+](C)Cc2cc(=O)n3cc(Br)ccc3n2)c1 ZINC000683029699 566181469 /nfs/dbraw/zinc/18/14/69/566181469.db2.gz PIVGRLXBZVCBPR-UHFFFAOYSA-N 1 0 375.270 2.910 20 0 GFADRO CCCOc1ccc(Br)cc1S(=O)(=O)N[C@@H](C)CC[NH+](C)C ZINC000656917947 566183210 /nfs/dbraw/zinc/18/32/10/566183210.db2.gz MDAGPYJSEHCDHG-LBPRGKRZSA-N 1 0 393.347 2.856 20 0 GFADRO O=C1CC[C@H]([NH2+]C2CCN(Cc3ccc(Br)cc3)CC2)CCN1 ZINC000634968970 566185722 /nfs/dbraw/zinc/18/57/22/566185722.db2.gz BFGSXIFRNCQMGU-INIZCTEOSA-N 1 0 380.330 2.672 20 0 GFADRO CCC(=O)N1CCC([NH2+]C[C@@H](CO)Cc2ccc(Br)cc2)CC1 ZINC000683205817 566188764 /nfs/dbraw/zinc/18/87/64/566188764.db2.gz JHWKDCYZSLUCTD-HNNXBMFYSA-N 1 0 383.330 2.591 20 0 GFADRO COC1CC[NH+](CCNC(=O)c2cc(Br)c(F)cc2F)CC1 ZINC000683245527 566189515 /nfs/dbraw/zinc/18/95/15/566189515.db2.gz RYYYSOHTYWVGPT-UHFFFAOYSA-N 1 0 377.229 2.568 20 0 GFADRO C[C@H]1C[NH+](CCCNC(=O)c2cc(F)c(Cl)c(N)c2Cl)C[C@H](C)O1 ZINC000635170521 566197862 /nfs/dbraw/zinc/19/78/62/566197862.db2.gz GFHHRCAUQRZLJP-UWVGGRQHSA-N 1 0 378.275 2.944 20 0 GFADRO C[NH+](C)CCNC(=O)c1ccc(NC(=O)c2ccoc2Br)cc1 ZINC000683537562 566203732 /nfs/dbraw/zinc/20/37/32/566203732.db2.gz AHRVNMBAKXVWPG-UHFFFAOYSA-N 1 0 380.242 2.586 20 0 GFADRO CN(Cc1c(F)cccc1Cl)S(=O)(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000657032646 566208708 /nfs/dbraw/zinc/20/87/08/566208708.db2.gz AODLRFYFPLSUIV-ZDUSSCGKSA-N 1 0 391.940 2.866 20 0 GFADRO CN(Cc1c(F)cccc1Cl)S(=O)(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000657032645 566209205 /nfs/dbraw/zinc/20/92/05/566209205.db2.gz AODLRFYFPLSUIV-CYBMUJFWSA-N 1 0 391.940 2.866 20 0 GFADRO O=C1[C@@H]([NH2+]Cc2cnc3ccccn23)CCN1c1cccc(Br)c1 ZINC000683707300 566210383 /nfs/dbraw/zinc/21/03/83/566210383.db2.gz JZHIBBHQVUJYQG-INIZCTEOSA-N 1 0 385.265 2.992 20 0 GFADRO O=S(=O)(NCC1CC[NH+](C2CCOCC2)CC1)c1c(F)cccc1Cl ZINC000657039671 566211706 /nfs/dbraw/zinc/21/17/06/566211706.db2.gz FPFIYJDBJBRSQZ-UHFFFAOYSA-N 1 0 390.908 2.648 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@@H](NS(=O)(=O)c2cc(F)ccc2Br)C1 ZINC000657059770 566214817 /nfs/dbraw/zinc/21/48/17/566214817.db2.gz ADMBDBRZTQBLID-LLVKDONJSA-N 1 0 379.295 2.739 20 0 GFADRO C[NH+](C)C[C@@]1(O)CCCN(C(=O)c2cc(Br)ccc2Cl)C1 ZINC000683913801 566219049 /nfs/dbraw/zinc/21/90/49/566219049.db2.gz QRYWIIWJZLEYKJ-HNNXBMFYSA-N 1 0 375.694 2.631 20 0 GFADRO Cc1nc(CS(=O)(=O)N2c3ccc(C)cc3[C@H]3C[N@H+](C)CC[C@H]32)cs1 ZINC000684094133 566225585 /nfs/dbraw/zinc/22/55/85/566225585.db2.gz BOMGGVITJLLHSW-SJLPKXTDSA-N 1 0 377.535 2.898 20 0 GFADRO CC[NH+](CC)CCN(Cc1ccc(Cl)cc1)S(=O)(=O)c1cn(C)cn1 ZINC000657122339 566226803 /nfs/dbraw/zinc/22/68/03/566226803.db2.gz SKYXFXDAAOIPSZ-UHFFFAOYSA-N 1 0 384.933 2.606 20 0 GFADRO Cc1nc(CS(=O)(=O)N(C)C2CC[NH+](Cc3ccccc3)CC2)cs1 ZINC000684100206 566226941 /nfs/dbraw/zinc/22/69/41/566226941.db2.gz TWPWKFFJRUCHJK-UHFFFAOYSA-N 1 0 379.551 2.878 20 0 GFADRO Cc1nc(CS(=O)(=O)N[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cs1 ZINC000684107044 566227328 /nfs/dbraw/zinc/22/73/28/566227328.db2.gz RMUPIOPICUWCCF-PBHICJAKSA-N 1 0 379.551 2.782 20 0 GFADRO CC[N@@H+]1CCN(C(=O)Nc2ccnn2-c2ccc(Br)cn2)C[C@@H]1C ZINC000684131720 566228844 /nfs/dbraw/zinc/22/88/44/566228844.db2.gz TWGQOSPCSVHLFT-LBPRGKRZSA-N 1 0 393.289 2.588 20 0 GFADRO C[C@@H](CNC(=O)N1CCOc2c(Br)cccc2C1)[N@H+](C)C1CC1 ZINC000684263066 566231954 /nfs/dbraw/zinc/23/19/54/566231954.db2.gz QLFJGFAQZRZAOW-LBPRGKRZSA-N 1 0 382.302 2.836 20 0 GFADRO CN(C(=O)c1sccc1-c1nn[nH]n1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000736740596 598823250 /nfs/dbraw/zinc/82/32/50/598823250.db2.gz BZKGDBHOYQKSMC-UHFFFAOYSA-N 1 0 382.493 2.665 20 0 GFADRO Cc1ccc(C[C@H]2CCC[N@@H+]2C[C@H](O)COc2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000737336171 598833810 /nfs/dbraw/zinc/83/38/10/598833810.db2.gz YIVANWSPPVQODK-UXHICEINSA-N 1 0 393.491 2.622 20 0 GFADRO C[C@]1(C[NH2+]Cc2cccc(OCc3ccccc3-c3nn[nH]n3)c2)CCOC1 ZINC000736217618 598837487 /nfs/dbraw/zinc/83/74/87/598837487.db2.gz ZANXZLHQZYXEEE-OAQYLSRUSA-N 1 0 379.464 2.962 20 0 GFADRO CC(C)C[C@H]1COCC[N@@H+]1CCC(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000735794756 598872165 /nfs/dbraw/zinc/87/21/65/598872165.db2.gz DCWFPQNLGHFKJF-AWEZNQCLSA-N 1 0 392.891 2.596 20 0 GFADRO C[C@H](C(=O)N1CCC(Oc2cccc(-c3nn[nH]n3)c2)CC1)[NH+]1CCCCCC1 ZINC000735519459 598905074 /nfs/dbraw/zinc/90/50/74/598905074.db2.gz KVJXQTSWZNSTDT-MRXNPFEDSA-N 1 0 398.511 2.501 20 0 GFADRO c1ccc2c(c1)nnc(-c1nn[nH]n1)c2N1CCC(C[NH+]2CCCCC2)CC1 ZINC000738433702 598964333 /nfs/dbraw/zinc/96/43/33/598964333.db2.gz SITZNJSCXUZJNM-UHFFFAOYSA-N 1 0 378.484 2.512 20 0 GFADRO C[N@H+](CCc1nc(-c2ccccc2)no1)Cc1cc(-c2nn[nH]n2)ccc1F ZINC000736805795 598982243 /nfs/dbraw/zinc/98/22/43/598982243.db2.gz JSUYUSIEVNDXJO-UHFFFAOYSA-N 1 0 379.399 2.730 20 0 GFADRO C[NH+](C)C(C)(C)CNC(=O)c1cccc(COc2cccc(-c3nn[nH]n3)c2)c1 ZINC000736760139 599019701 /nfs/dbraw/zinc/01/97/01/599019701.db2.gz PPRKEWGLWAUGCA-UHFFFAOYSA-N 1 0 394.479 2.516 20 0 GFADRO C[NH+](C)CCCCNC(=O)c1cccc(COc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000736758982 599032889 /nfs/dbraw/zinc/03/28/89/599032889.db2.gz LTWNASDNWSTDLS-UHFFFAOYSA-N 1 0 394.479 2.517 20 0 GFADRO FC(F)(F)c1ccc(-c2nn[nH]n2)c(N2CCC([NH+]3CCCCC3)CC2)n1 ZINC000737631514 599047588 /nfs/dbraw/zinc/04/75/88/599047588.db2.gz FRGGJCFXDQMNLL-UHFFFAOYSA-N 1 0 381.406 2.735 20 0 GFADRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(c2snc(Cl)c2-c2nn[nH]n2)C1 ZINC000821614872 599081268 /nfs/dbraw/zinc/08/12/68/599081268.db2.gz YDDRGCMKVYTREN-GFCCVEGCSA-N 1 0 375.889 2.687 20 0 GFADRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(Cl)c(-c2nn[nH]n2)n1 ZINC000821597803 599107816 /nfs/dbraw/zinc/10/78/16/599107816.db2.gz HYWDQIVCDLQNNF-HNNXBMFYSA-N 1 0 383.887 2.873 20 0 GFADRO COc1cccc(CCC[NH+]2CCN(c3cccc(F)c3-c3nn[nH]n3)CC2)c1 ZINC000737130059 599130887 /nfs/dbraw/zinc/13/08/87/599130887.db2.gz AIQUJFPHAYRLJG-UHFFFAOYSA-N 1 0 396.470 2.769 20 0 GFADRO Cc1ccc([C@@H](C)C(=O)N2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)o1 ZINC000822227587 599135445 /nfs/dbraw/zinc/13/54/45/599135445.db2.gz OFMQYUCZIJXWPR-MRXNPFEDSA-N 1 0 394.479 2.606 20 0 GFADRO Cc1ccc(OCC[N@@H+](C)CCC(=O)Nc2sccc2-c2nn[nH]n2)cc1 ZINC000737364394 599182775 /nfs/dbraw/zinc/18/27/75/599182775.db2.gz BNJJFUYSXAJHIZ-UHFFFAOYSA-N 1 0 386.481 2.576 20 0 GFADRO C[NH+](C)CCOc1ccc(NC(=O)c2cccc(-c3nn[nH]n3)c2)cc1Cl ZINC000736769413 599202790 /nfs/dbraw/zinc/20/27/90/599202790.db2.gz RWRZDSOFIBNBDT-UHFFFAOYSA-N 1 0 386.843 2.713 20 0 GFADRO O=C(C=Cc1ccccc1-c1nn[nH]n1)O[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000737803126 599221373 /nfs/dbraw/zinc/22/13/73/599221373.db2.gz RQCNACWCDCTSTR-ZGKFYVQTSA-N 1 0 375.432 2.698 20 0 GFADRO Cc1c(NC(=O)N(CC[NH+](C)C)Cc2cccs2)cccc1-c1nn[nH]n1 ZINC000822084683 607282137 /nfs/dbraw/zinc/28/21/37/607282137.db2.gz NPLJJKAJBAXWSR-UHFFFAOYSA-N 1 0 385.497 2.832 20 0 GFADRO CC(C)Oc1ccc(-c2nn[nH]n2)cc1NC(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000820152481 599261919 /nfs/dbraw/zinc/26/19/19/599261919.db2.gz ZINUJLTXFCBWRF-UKRRQHHQSA-N 1 0 387.488 2.600 20 0 GFADRO C[C@@H]1C[NH+](C(C)(C)CNc2cc(-c3nn[nH]n3)nc3ccccc32)C[C@@H](C)O1 ZINC000736293274 599264145 /nfs/dbraw/zinc/26/41/45/599264145.db2.gz SODONJIEUPEQJJ-ZIAGYGMSSA-N 1 0 381.484 2.715 20 0 GFADRO O[C@@H](C[NH2+][C@@H](c1ccc(F)cc1)C1CCC1)COc1ccc(-c2nn[nH]n2)cc1 ZINC000738382025 598248275 /nfs/dbraw/zinc/24/82/75/598248275.db2.gz OTGAUVYLUOQOGO-AZUAARDMSA-N 1 0 397.454 2.877 20 0 GFADRO O=C(C[NH2+][C@@H](c1ccc(F)cc1)C1CCC1)NCc1cccc(-c2nn[nH]n2)c1 ZINC000737892078 598248428 /nfs/dbraw/zinc/24/84/28/598248428.db2.gz SRRKRDCZJIILFY-HXUWFJFHSA-N 1 0 394.454 2.753 20 0 GFADRO c1ccc2c(c1)OC[C@@H](C[NH+]1CCC(Oc3cccc(-c4nn[nH]n4)c3)CC1)O2 ZINC000738418413 598262806 /nfs/dbraw/zinc/26/28/06/598262806.db2.gz GVYFKSUFAULKFN-GOSISDBHSA-N 1 0 393.447 2.550 20 0 GFADRO C[C@@H](CNC(=O)Nc1cccc(Oc2ccc(-c3nn[nH]n3)cc2)c1)[NH+](C)C ZINC000736017087 598266484 /nfs/dbraw/zinc/26/64/84/598266484.db2.gz HXGQVTHJKMGQLA-ZDUSSCGKSA-N 1 0 381.440 2.731 20 0 GFADRO C[N@@H+]1CCC[C@@H]1CNC(=O)Nc1cccc(Oc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000736858774 598267013 /nfs/dbraw/zinc/26/70/13/598267013.db2.gz BHEIRCKHYFSKNI-MRXNPFEDSA-N 1 0 393.451 2.875 20 0 GFADRO S=C(Nc1ccc(-c2nn[nH]n2)c(Cl)c1)NC1CC[NH+](CC2CC2)CC1 ZINC000738406309 598321600 /nfs/dbraw/zinc/32/16/00/598321600.db2.gz CERBXOQVUXAVSO-UHFFFAOYSA-N 1 0 391.932 2.681 20 0 GFADRO Cc1cc(F)ccc1C(=O)N(CC[NH+](C)C)Cc1cccc(-c2nn[nH]n2)c1 ZINC000822204519 607352517 /nfs/dbraw/zinc/35/25/17/607352517.db2.gz RQWMWYNIYWFRMP-UHFFFAOYSA-N 1 0 382.443 2.518 20 0 GFADRO CC(C)N(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)N[C@@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000736266902 598429535 /nfs/dbraw/zinc/42/95/35/598429535.db2.gz PZJBSKGSSRICKE-IRXDYDNUSA-N 1 0 399.543 2.907 20 0 GFADRO CCN(C(=O)c1ccc(-c2nn[nH]n2)cn1)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000736505488 598460305 /nfs/dbraw/zinc/46/03/05/598460305.db2.gz KBSCUZXPVMYDBH-QAPCUYQASA-N 1 0 391.479 2.559 20 0 GFADRO C[NH+](C)CCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)c1ccc2[nH]ccc2c1 ZINC000736766597 598460860 /nfs/dbraw/zinc/46/08/60/598460860.db2.gz DJYMADCOWQBSIB-UHFFFAOYSA-N 1 0 389.463 2.552 20 0 GFADRO Fc1cc(C[NH2+]C2CCN(c3ccc(-c4nn[nH]n4)cn3)CC2)ccc1Cl ZINC000737645298 598467358 /nfs/dbraw/zinc/46/73/58/598467358.db2.gz WHBQJAWFLONQGZ-UHFFFAOYSA-N 1 0 387.850 2.813 20 0 GFADRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NCc1cccc(-c2nn[nH]n2)c1 ZINC000736558415 598470442 /nfs/dbraw/zinc/47/04/42/598470442.db2.gz JMFQVDSKFFTNRG-UHFFFAOYSA-N 1 0 393.495 2.660 20 0 GFADRO CC(C)[C@H]([NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1ccc(Cl)cc1 ZINC000735732511 598519398 /nfs/dbraw/zinc/51/93/98/598519398.db2.gz AJEBFZLJAGLDIR-WBMJQRKESA-N 1 0 386.891 2.745 20 0 GFADRO C[C@@H]([NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1cc2ccccc2s1 ZINC000736137253 598531498 /nfs/dbraw/zinc/53/14/98/598531498.db2.gz WJJIMIASIZOMQX-VXGBXAGGSA-N 1 0 380.481 2.670 20 0 GFADRO O=C(Cc1ccc(-c2nn[nH]n2)cc1)NC[C@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000737962011 598570159 /nfs/dbraw/zinc/57/01/59/598570159.db2.gz MQAMUMNLNQXIGC-LJQANCHMSA-N 1 0 382.512 2.570 20 0 GFADRO CC[NH+](CC)CCC[C@@H](C)NC(=O)CSc1ccc(-c2nn[nH]n2)cc1 ZINC000736530618 598665946 /nfs/dbraw/zinc/66/59/46/598665946.db2.gz KYYTYQFSKNGXPR-CQSZACIVSA-N 1 0 376.530 2.586 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)CSc1ccc(-c2nn[nH]n2)cc1)C1CCCCC1 ZINC000736760269 598665995 /nfs/dbraw/zinc/66/59/95/598665995.db2.gz RBJLTEQYSULUDC-QGZVFWFLSA-N 1 0 388.541 2.586 20 0 GFADRO C[NH+](C)CCCOc1cccc(NC(=O)C=Cc2ccccc2-c2nn[nH]n2)c1 ZINC000736766593 598669250 /nfs/dbraw/zinc/66/92/50/598669250.db2.gz DISSCJXKRWJGEY-QXMHVHEDSA-N 1 0 392.463 2.849 20 0 GFADRO Cc1cc(C)c(-c2nn[nH]n2)c(NC[C@H]2CC[N@H+](CCc3ccccc3)C2)n1 ZINC000737240050 598674698 /nfs/dbraw/zinc/67/46/98/598674698.db2.gz HQDUCTGVVLVCMC-GOSISDBHSA-N 1 0 377.496 2.855 20 0 GFADRO COC(=O)[C@H](C)C[N@H+](Cc1ccccc1)Cc1ccc(F)cc1-c1nn[nH]n1 ZINC000736891634 598683984 /nfs/dbraw/zinc/68/39/84/598683984.db2.gz JQMMPOZAUJOVGC-CQSZACIVSA-N 1 0 383.427 2.817 20 0 GFADRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)CCc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000736402091 598694013 /nfs/dbraw/zinc/69/40/13/598694013.db2.gz LLZKSKYHFWINGR-MRXNPFEDSA-N 1 0 384.528 2.816 20 0 GFADRO CCCC[C@H]([NH2+]Cc1cnc2c(-c3nn[nH]n3)cnn2c1)c1ccc(OC)cc1 ZINC000736439189 598698141 /nfs/dbraw/zinc/69/81/41/598698141.db2.gz RYJUEIJTLDSRQK-SFHVURJKSA-N 1 0 392.467 2.939 20 0 GFADRO Brc1ccccc1N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000735375521 598713377 /nfs/dbraw/zinc/71/33/77/598713377.db2.gz MOLNBGSXVHZYHJ-OAHLLOKOSA-N 1 0 399.296 2.998 20 0 GFADRO OC1(C[NH2+]Cc2cccc(OCc3ccccc3-c3nn[nH]n3)c2)CCCC1 ZINC000738388909 598713516 /nfs/dbraw/zinc/71/35/16/598713516.db2.gz UJTUPBGELZJAJT-UHFFFAOYSA-N 1 0 379.464 2.840 20 0 GFADRO CC[NH+](CC)C[C@H](C)Nc1c(-c2nn[nH]n2)cnc2c(F)ccc(Cl)c21 ZINC000736534446 598746042 /nfs/dbraw/zinc/74/60/42/598746042.db2.gz OIKVZPIBMGRWPI-JTQLQIEISA-N 1 0 377.855 2.772 20 0 GFADRO COC(=O)[C@@H]1CCC[N@H+](Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)C1 ZINC000736907761 598763567 /nfs/dbraw/zinc/76/35/67/598763567.db2.gz DCRFECCKTJGYSW-QGZVFWFLSA-N 1 0 377.448 2.919 20 0 GFADRO CCCC[N@H+](C)CCNC(=O)c1ccc(COc2ccc(-c3nn[nH]n3)cc2)o1 ZINC000736454457 598767924 /nfs/dbraw/zinc/76/79/24/598767924.db2.gz ZSHGGOACLNMTCN-UHFFFAOYSA-N 1 0 398.467 2.500 20 0 GFADRO Fc1cc(F)c2ncc(-c3nn[nH]n3)c(N3CC[C@H]([NH+]4CCCCC4)C3)c2c1 ZINC000737643192 598773502 /nfs/dbraw/zinc/77/35/02/598773502.db2.gz CPFDQNOHFSJVNA-ZDUSSCGKSA-N 1 0 385.422 2.758 20 0 GFADRO CC(C)(C)[C@@H](O)C[NH2+]Cc1cccc(OCc2ccccc2-c2nn[nH]n2)c1 ZINC000735598169 598777819 /nfs/dbraw/zinc/77/78/19/598777819.db2.gz XDHZAVKOPONJFJ-IBGZPJMESA-N 1 0 381.480 2.942 20 0 GFADRO C[NH+](C)CCOc1ccc(CCNc2snc(Cl)c2-c2nn[nH]n2)cc1 ZINC000736769390 598797355 /nfs/dbraw/zinc/79/73/55/598797355.db2.gz RDJUNRAUWVWHRN-UHFFFAOYSA-N 1 0 393.904 2.572 20 0 GFADRO C[NH+](C)CCCCNC(=O)c1ccc(Oc2cccc(F)c2-c2nn[nH]n2)cc1 ZINC000736759164 598811774 /nfs/dbraw/zinc/81/17/74/598811774.db2.gz OQTQMZJKQACXSS-UHFFFAOYSA-N 1 0 398.442 2.870 20 0 GFADRO COc1ccc([C@H]([NH2+]CCC(=O)Nc2cccc(-c3nn[nH]n3)c2)C2CC2)cc1 ZINC000821777909 599301748 /nfs/dbraw/zinc/30/17/48/599301748.db2.gz OJGJYNNGJJSRLQ-HXUWFJFHSA-N 1 0 392.463 2.945 20 0 GFADRO COc1ccc([C@H](C)[NH2+]CCC(=O)Nc2cccc(-c3nn[nH]n3)c2)cc1F ZINC000821777667 599302078 /nfs/dbraw/zinc/30/20/78/599302078.db2.gz KUOSGXLGQBIZQB-LBPRGKRZSA-N 1 0 384.415 2.694 20 0 GFADRO CCS[C@H]1CC[C@H]([N@H+](C)Cn2c(C)nnc2-c2cccc(-c3nn[nH]n3)c2)C1 ZINC000821446850 599330228 /nfs/dbraw/zinc/33/02/28/599330228.db2.gz DQZIEKJOMNIRPN-IRXDYDNUSA-N 1 0 398.540 2.997 20 0 GFADRO Cc1cccnc1[C@H]([NH2+][C@H](C)C(=O)Nc1cccc(-c2nn[nH]n2)c1)C(C)C ZINC000737432555 599355444 /nfs/dbraw/zinc/35/54/44/599355444.db2.gz AQYZIIRZHJRBBB-RHSMWYFYSA-N 1 0 379.468 2.884 20 0 GFADRO C[C@@H]([NH2+]CC(=O)Nc1ccc(F)c(F)c1F)c1ccc(-c2nn[nH]n2)cc1 ZINC000820419325 599362223 /nfs/dbraw/zinc/36/22/23/599362223.db2.gz GIYZPSUWCWHAQQ-SECBINFHSA-N 1 0 376.342 2.573 20 0 GFADRO C[C@@H]([NH2+]Cc1cccc(NC(=O)[C@H]2CCCO2)c1)c1ccc(-c2nn[nH]n2)cc1 ZINC000820431835 599371496 /nfs/dbraw/zinc/37/14/96/599371496.db2.gz IPGORFUXHSYTDZ-AUUYWEPGSA-N 1 0 392.463 2.835 20 0 GFADRO C[C@H]([NH2+][C@@H](C)[C@@H]1CN(Cc2ccccc2)CCO1)c1ccc(-c2nn[nH]n2)cc1 ZINC000820404646 599377365 /nfs/dbraw/zinc/37/73/65/599377365.db2.gz ZWFFPRWQHZHPSA-FIKGOQFSSA-N 1 0 392.507 2.807 20 0 GFADRO COc1ccc([C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)o2)N2CCCCC2)cc1 ZINC000821778113 599393240 /nfs/dbraw/zinc/39/32/40/599393240.db2.gz UOIKFSDHZPMVPV-SFHVURJKSA-N 1 0 382.468 2.785 20 0 GFADRO C[C@H](NC(=O)NCCC[N@H+](C)C1CCCCC1)c1cccc(-c2nn[nH]n2)c1 ZINC000820366520 599403451 /nfs/dbraw/zinc/40/34/51/599403451.db2.gz OSTHJVAPEXWIJU-HNNXBMFYSA-N 1 0 385.516 2.882 20 0 GFADRO Fc1ccc2oc(C[NH2+]C3CCN(c4ccc(-c5nn[nH]n5)cn4)CC3)cc2c1 ZINC000822786236 599426569 /nfs/dbraw/zinc/42/65/69/599426569.db2.gz FSCFOFAKBIPJDO-UHFFFAOYSA-N 1 0 393.426 2.906 20 0 GFADRO C[C@H](CNC(=O)N[C@H](C)c1cccc(-c2nn[nH]n2)c1)[N@H+](C)Cc1ccccc1 ZINC000820358571 599438226 /nfs/dbraw/zinc/43/82/26/599438226.db2.gz NRKZQCOOUUQKJP-HZPDHXFCSA-N 1 0 393.495 2.747 20 0 GFADRO COc1ccc(C[NH2+][C@@H](C)c2cccc(-n3ccnc3)c2)cc1-c1nn[nH]n1 ZINC000821803178 599464090 /nfs/dbraw/zinc/46/40/90/599464090.db2.gz CZMDDVZOINDTBX-AWEZNQCLSA-N 1 0 375.436 2.912 20 0 GFADRO CC(C)COc1ccccc1C[NH2+]Cc1cnc2ccc(-c3nn[nH]n3)cn12 ZINC000735845195 599485899 /nfs/dbraw/zinc/48/58/99/599485899.db2.gz SEOCQWVWZLFTQG-UHFFFAOYSA-N 1 0 377.452 2.839 20 0 GFADRO CCc1cccc2c(CC[NH2+]Cc3cnc4ccc(-c5nn[nH]n5)cn34)c[nH]c21 ZINC000736695607 599491171 /nfs/dbraw/zinc/49/11/71/599491171.db2.gz OPHGIEPFEQXSCH-UHFFFAOYSA-N 1 0 386.463 2.890 20 0 GFADRO c1nc2ccc(-c3nn[nH]n3)cn2c1C[NH2+]Cc1ccccc1OC1CCC1 ZINC000738436098 599491763 /nfs/dbraw/zinc/49/17/63/599491763.db2.gz PFZZFEQRKVCNML-UHFFFAOYSA-N 1 0 375.436 2.736 20 0 GFADRO COc1ccccc1[C@H](C)[NH+]1CCN(c2ccc(F)cc2-c2nn[nH]n2)CC1 ZINC000821882447 599526388 /nfs/dbraw/zinc/52/63/88/599526388.db2.gz AYDBLGIDGNQQAP-AWEZNQCLSA-N 1 0 382.443 2.898 20 0 GFADRO CC(C)[NH+]1CCN(C(=O)c2cccc(Nc3ccc(-c4nn[nH]n4)cc3)c2)CC1 ZINC000735882422 599563986 /nfs/dbraw/zinc/56/39/86/599563986.db2.gz QMEASBLRDHJSES-UHFFFAOYSA-N 1 0 391.479 2.777 20 0 GFADRO CC[N@@H+]1CC[C@@H](CNC(=O)c2cccc(Nc3ccc(-c4nn[nH]n4)cc3)c2)C1 ZINC000736564467 599564586 /nfs/dbraw/zinc/56/45/86/599564586.db2.gz BTXIOCIUFVXBAM-HNNXBMFYSA-N 1 0 391.479 2.682 20 0 GFADRO C[NH+](C)[C@@H]1CCCN(C(=O)c2cccc(Nc3ccc(-c4nn[nH]n4)cc3)c2)C1 ZINC000736756464 599567444 /nfs/dbraw/zinc/56/74/44/599567444.db2.gz IWRLGPPGJNYGJI-LJQANCHMSA-N 1 0 391.479 2.777 20 0 GFADRO CC[C@H]1Oc2cc([C@@H](C)[NH2+]Cc3ccc(-c4nn[nH]n4)cc3)ccc2NC1=O ZINC000821002646 599647051 /nfs/dbraw/zinc/64/70/51/599647051.db2.gz YFKNYQZLQGWUKV-SJKOYZFVSA-N 1 0 378.436 2.827 20 0 GFADRO CC(C)Oc1ccc(NC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cc1-c1nn[nH]n1 ZINC000820165298 607432909 /nfs/dbraw/zinc/43/29/09/607432909.db2.gz OOWOEAQUENACKO-RHSMWYFYSA-N 1 0 399.499 2.602 20 0 GFADRO COc1ccc(C[N@H+](C)[C@@H](C)c2ccc(-n3cncn3)cc2)cc1-c1nn[nH]n1 ZINC000821794771 607443058 /nfs/dbraw/zinc/44/30/58/607443058.db2.gz MXPUEAVQGZFWPE-AWEZNQCLSA-N 1 0 390.451 2.649 20 0 GFADRO CC1CC[NH+](CCCCNC(=O)NC2(c3cccc(-c4nn[nH]n4)c3)CC2)CC1 ZINC000824954013 607450079 /nfs/dbraw/zinc/45/00/79/607450079.db2.gz IUUIUAYNYBNIHO-UHFFFAOYSA-N 1 0 397.527 2.667 20 0 GFADRO CS[C@@H]1CCCC[N@H+](CC(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)C1 ZINC000826227204 607475677 /nfs/dbraw/zinc/47/56/77/607475677.db2.gz NPEIXPHKELRLPS-GFCCVEGCSA-N 1 0 380.905 2.676 20 0 GFADRO CS[C@H]1CCCC[N@H+](CC(=O)Nc2cc(Cl)ccc2-c2nn[nH]n2)C1 ZINC000826227075 607475688 /nfs/dbraw/zinc/47/56/88/607475688.db2.gz LFJXLIOWOXTBIZ-LBPRGKRZSA-N 1 0 380.905 2.676 20 0 GFADRO O[C@H](C[C@H]1CCC[N@@H+]1C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1)c1ccc(F)cc1 ZINC000826502247 607476398 /nfs/dbraw/zinc/47/63/98/607476398.db2.gz ZZKRLMWDRKMLFD-VAMGGRTRSA-N 1 0 397.454 2.627 20 0 GFADRO CC[NH+]1CCN(c2ccc(NC(=O)c3ccc(-c4nn[nH]n4)cc3C)cc2)CC1 ZINC000825464289 607648786 /nfs/dbraw/zinc/64/87/86/607648786.db2.gz AUXDWXKNAOEANN-UHFFFAOYSA-N 1 0 391.479 2.569 20 0 GFADRO CC[C@@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1c1ccc(-c2nn[nH]n2)cn1 ZINC000825060917 607679848 /nfs/dbraw/zinc/67/98/48/607679848.db2.gz UYJKFHRCBBBNSL-DNVCBOLYSA-N 1 0 392.511 2.702 20 0 GFADRO C[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)C[C@H](O)Cc1ccccc1C(F)(F)F ZINC000825976246 607687492 /nfs/dbraw/zinc/68/74/92/607687492.db2.gz HZEHEMHIQNGOAM-MRXNPFEDSA-N 1 0 391.397 2.921 20 0 GFADRO Cc1cc(-c2nn[nH]n2)ccc1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000826248148 607702386 /nfs/dbraw/zinc/70/23/86/607702386.db2.gz YIEOSVGCZDWARE-LPHOPBHVSA-N 1 0 390.491 2.958 20 0 GFADRO CC1=C(C(=O)[O-])C[C@@H](C[N@@H+](C)CC2CC[NH+](C[C@H](O)c3ccccc3)CC2)O1 ZINC000833577045 605115144 /nfs/dbraw/zinc/11/51/44/605115144.db2.gz ODNMRLARTJBRLC-FPOVZHCZSA-N 1 0 388.508 2.511 20 0 GFADRO CC(C)(C)OC(=O)N1CCC(C[NH2+]C2CC[NH+](CCCC(=O)[O-])CC2)CC1 ZINC000833438130 605221512 /nfs/dbraw/zinc/22/15/12/605221512.db2.gz ZDGBYXVGFZXYJH-UHFFFAOYSA-N 1 0 383.533 2.552 20 0 GFADRO COc1ccc([C@@H](CNc2ccc(-c3nn[nH]n3)nc2)[NH+]2CCCCC2)cc1 ZINC000821777466 606024784 /nfs/dbraw/zinc/02/47/84/606024784.db2.gz FXYJDLGXCOQQGO-LJQANCHMSA-N 1 0 379.468 2.909 20 0 GFADRO CN(c1nc2c(cc1-c1nn[nH]n1)CCC2)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000821619301 606043885 /nfs/dbraw/zinc/04/38/85/606043885.db2.gz QKHKIZAZJZNNAM-SFHVURJKSA-N 1 0 389.507 2.851 20 0 GFADRO C[C@@H]1CC[N@H+](C[C@@H](O)COc2ccc(-c3nn[nH]n3)cc2)[C@H]1c1cccc(F)c1 ZINC000820722150 606112297 /nfs/dbraw/zinc/11/22/97/606112297.db2.gz GBKHLNQUTCVCEO-LXGCGDOSSA-N 1 0 397.454 2.829 20 0 GFADRO C[C@H](CCNC(=O)NCc1ccc(-c2nn[nH]n2)cc1)[N@H+](C)Cc1ccccc1 ZINC000820241978 606116970 /nfs/dbraw/zinc/11/69/70/606116970.db2.gz KWPMBKXTAQYKKX-MRXNPFEDSA-N 1 0 393.495 2.577 20 0 GFADRO CN(CC[NH+](C)C)C(=O)Nc1ccc(Oc2cccc(-c3nn[nH]n3)c2)cc1 ZINC000821584603 606153689 /nfs/dbraw/zinc/15/36/89/606153689.db2.gz KUHIJVZAIIJGAW-UHFFFAOYSA-N 1 0 381.440 2.684 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)Cc2cccc(-c3nn[nH]n3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000820658366 606188048 /nfs/dbraw/zinc/18/80/48/606188048.db2.gz RPXBMKBBUDTJQL-UZLBHIALSA-N 1 0 390.491 2.579 20 0 GFADRO C[C@H]1C[C@@H](NC(=O)c2ccc(-c3nn[nH]n3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000820658338 606188178 /nfs/dbraw/zinc/18/81/78/606188178.db2.gz ROWZOPKROHQJPA-KXBFYZLASA-N 1 0 376.464 2.650 20 0 GFADRO CC(C)CC[NH+]1CCC(CNC(=O)N[C@H](C)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000820076121 606193617 /nfs/dbraw/zinc/19/36/17/606193617.db2.gz BICKUPGVYDQCPN-MRXNPFEDSA-N 1 0 399.543 2.985 20 0 GFADRO Cc1ccccc1[C@@H]([NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1)C(C)(C)C ZINC000822350722 606206018 /nfs/dbraw/zinc/20/60/18/606206018.db2.gz GFTCELNYOHTIHA-RHSMWYFYSA-N 1 0 380.500 2.790 20 0 GFADRO CCc1noc(-c2ccc(CC[NH2+]Cc3cc(-c4nn[nH]n4)cs3)cc2)n1 ZINC000821555030 606216873 /nfs/dbraw/zinc/21/68/73/606216873.db2.gz ZDWXGRFTPZBFNS-UHFFFAOYSA-N 1 0 381.465 2.873 20 0 GFADRO CCOc1cccc([C@@H](C)[NH2+][C@@H]2CCN(c3sccc3-c3nn[nH]n3)C2=O)c1 ZINC000821427545 606303096 /nfs/dbraw/zinc/30/30/96/606303096.db2.gz UUKMOWXIRMVOGE-MLGOLLRUSA-N 1 0 398.492 2.783 20 0 GFADRO C[C@@H]1C[C@@H](c2ccccc2)C[N@@H+]1[C@@H]1CCN(c2sccc2-c2nn[nH]n2)C1=O ZINC000820666743 606322203 /nfs/dbraw/zinc/32/22/03/606322203.db2.gz JIDRPEVAMYQEIR-FRFSOERESA-N 1 0 394.504 2.912 20 0 GFADRO Cc1oc(NC(=O)C[N@H+]2CC[C@H](c3ccccc3)[C@@H]2C)c(-c2nn[nH]n2)c1C ZINC000822548312 606336708 /nfs/dbraw/zinc/33/67/08/606336708.db2.gz HUZHIKRKFHQOOZ-BBRMVZONSA-N 1 0 380.452 2.893 20 0 GFADRO C[C@]1(CCc2ccccc2)CC[N@@H+]([C@@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000820612232 606337781 /nfs/dbraw/zinc/33/77/81/606337781.db2.gz CECCPZTUBMYLJP-KNQAVFIVSA-N 1 0 390.491 2.738 20 0 GFADRO CCCCO[C@@H]1C[C@@H]([NH2+][C@H]2CCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)C1(C)C ZINC000821072666 606371894 /nfs/dbraw/zinc/37/18/94/606371894.db2.gz VMVKXFCHFIFJBF-RCCFBDPRSA-N 1 0 398.511 2.545 20 0 GFADRO C[NH+](C)CCCOC1CCN(c2ccc(-c3nn[nH]n3)c(C(F)(F)F)c2)CC1 ZINC000821584700 606402942 /nfs/dbraw/zinc/40/29/42/606402942.db2.gz OYJMTRZEWLJPDU-UHFFFAOYSA-N 1 0 398.433 2.823 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)C[C@@H]1C ZINC000821254884 606427996 /nfs/dbraw/zinc/42/79/96/606427996.db2.gz PKUMLBQHXLTKPM-WCQYABFASA-N 1 0 377.880 2.857 20 0 GFADRO CC[N@H+](C)C[C@@H]1CCN(c2c(-c3nn[nH]n3)cnc3c(F)ccc(Cl)c32)C1 ZINC000821161024 606432185 /nfs/dbraw/zinc/43/21/85/606432185.db2.gz TUXZWWDUSQHJLL-NSHDSACASA-N 1 0 389.866 2.985 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)Cc2ccc(-c3nn[nH]n3)cc2OC(F)F)[C@H](C)C1 ZINC000821255129 606500501 /nfs/dbraw/zinc/50/05/01/606500501.db2.gz VIUYVICJQGMVRI-DOMZBBRYSA-N 1 0 380.443 2.630 20 0 GFADRO Cc1c(C)n(C2CCCC2)c(NC(=O)C[NH+]2C[C@H](C)[C@@H](C)C2)c1-c1nn[nH]n1 ZINC000822015668 606504578 /nfs/dbraw/zinc/50/45/78/606504578.db2.gz NDOFDNWHUMRUNW-STQMWFEESA-N 1 0 385.516 2.926 20 0 GFADRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)Cc1cccc(-c2nn[nH]n2)c1 ZINC000821221039 606547500 /nfs/dbraw/zinc/54/75/00/606547500.db2.gz HSKCNULZEGQTGW-UHFFFAOYSA-N 1 0 378.480 2.520 20 0 GFADRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000820570012 606564479 /nfs/dbraw/zinc/56/44/79/606564479.db2.gz BTGKNEUASKKFKT-INIZCTEOSA-N 1 0 390.491 2.751 20 0 GFADRO Cc1cc(NC(=O)c2ccc(-c3nn[nH]n3)s2)ccc1OCC[NH+]1CCCC1 ZINC000822209684 606568221 /nfs/dbraw/zinc/56/82/21/606568221.db2.gz RSPUXBOJCKPWLG-UHFFFAOYSA-N 1 0 398.492 2.964 20 0 GFADRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)Cc1cccc(-c2nn[nH]n2)c1 ZINC000820759799 606570989 /nfs/dbraw/zinc/57/09/89/606570989.db2.gz NUUGCNDHJLNZEC-KRWDZBQOSA-N 1 0 390.491 2.532 20 0 GFADRO CC(C)N(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000820116204 606640917 /nfs/dbraw/zinc/64/09/17/606640917.db2.gz FPEILYQQPSWXGE-HNNXBMFYSA-N 1 0 387.532 2.763 20 0 GFADRO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000823249510 606663187 /nfs/dbraw/zinc/66/31/87/606663187.db2.gz BPSNWAZJETXXEX-UHFFFAOYSA-N 1 0 398.417 2.671 20 0 GFADRO O=C(NCc1cccc(C[NH+]2CCCC2)c1)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000823257484 606668873 /nfs/dbraw/zinc/66/88/73/606668873.db2.gz OQJJRUYFOGPAIU-UHFFFAOYSA-N 1 0 398.417 2.671 20 0 GFADRO O=C1[C@@H]([N@@H+]2CC[C@H](c3ccc(F)cc3)C2)CCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000823504051 606717590 /nfs/dbraw/zinc/71/75/90/606717590.db2.gz LIBYQEFPPDNNEN-LPHOPBHVSA-N 1 0 392.438 2.601 20 0 GFADRO Cc1ccc(C)c([C@@H]2CCC[N@@H+]2CC(=O)NCc2cccc(-c3nn[nH]n3)c2)c1 ZINC000822230823 606795783 /nfs/dbraw/zinc/79/57/83/606795783.db2.gz RHYCBUSOLWLDTF-FQEVSTJZSA-N 1 0 390.491 2.937 20 0 GFADRO C[C@@H](CNC(=O)Nc1ccc(-c2nn[nH]n2)c(C(F)(F)F)c1)C[NH+]1CCCC1 ZINC000820269480 606835680 /nfs/dbraw/zinc/83/56/80/606835680.db2.gz LHGXMLDJLOCWAA-NSHDSACASA-N 1 0 397.405 2.739 20 0 GFADRO C[C@@H]([NH2+]C[C@H](O)c1ccc(-c2nn[nH]n2)cc1)c1ccc(OC(F)F)cc1 ZINC000820419560 606849922 /nfs/dbraw/zinc/84/99/22/606849922.db2.gz IDMDAXWRZBJXBI-BZNIZROVSA-N 1 0 375.379 2.852 20 0 GFADRO C[C@H]([NH2+]C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1)c1cccc(OC(F)F)c1 ZINC000820419571 606853115 /nfs/dbraw/zinc/85/31/15/606853115.db2.gz IFBXIJJLSZCIHT-MEDUHNTESA-N 1 0 375.379 2.852 20 0 GFADRO O[C@@H](C[NH+]1CCC(OCCc2ccccc2)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823674002 606858081 /nfs/dbraw/zinc/85/80/81/606858081.db2.gz OMYLMUPLJKEVBK-NRFANRHFSA-N 1 0 393.491 2.624 20 0 GFADRO C[C@H]1C[C@H](Nc2c3ccccc3nnc2-c2nn[nH]n2)C[N@@H+]1Cc1ccccc1 ZINC000820664503 606876537 /nfs/dbraw/zinc/87/65/37/606876537.db2.gz AWVFKLDHJFCHJI-HOCLYGCPSA-N 1 0 386.463 2.885 20 0 GFADRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[NH+]2[C@H](C)CC[C@H]2C)c1-c1nn[nH]n1 ZINC000822015829 606882331 /nfs/dbraw/zinc/88/23/31/606882331.db2.gz PLBTWUBEUKGGNV-CHWSQXEVSA-N 1 0 397.483 2.738 20 0 GFADRO COc1ccc(OCC[N@H+](C)CCCOc2cccc(-c3nn[nH]n3)c2)cc1 ZINC000821841101 606883970 /nfs/dbraw/zinc/88/39/70/606883970.db2.gz BVEPRLLXNATVJY-UHFFFAOYSA-N 1 0 383.452 2.655 20 0 GFADRO C[N@H+](CCCOc1cccc(-c2nn[nH]n2)c1)C[C@@H]1OCCc2ccccc21 ZINC000821600496 606891435 /nfs/dbraw/zinc/89/14/35/606891435.db2.gz OWZWNCXHIWSWRV-FQEVSTJZSA-N 1 0 379.464 2.881 20 0 GFADRO O[C@@H](C[N@@H+]1CCC[C@@H]1c1cccc2c1OCCO2)c1ccc(-c2nn[nH]n2)cc1 ZINC000823681571 606893990 /nfs/dbraw/zinc/89/39/90/606893990.db2.gz GWOZOAGVCJGXFF-MSOLQXFVSA-N 1 0 393.447 2.508 20 0 GFADRO CO[C@@H](C[NH2+]Cc1cnc2ccc(-c3nn[nH]n3)cn12)c1ccccc1Cl ZINC000821676841 606922641 /nfs/dbraw/zinc/92/26/41/606922641.db2.gz INVHCIJVWDJCDU-INIZCTEOSA-N 1 0 383.843 2.645 20 0 GFADRO Cc1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3ccc(F)c(-c4nn[nH]n4)c3)C2)nc1 ZINC000822242468 606975271 /nfs/dbraw/zinc/97/52/71/606975271.db2.gz MAQLLXVDNCLXCZ-HNNXBMFYSA-N 1 0 395.442 2.560 20 0 GFADRO O[C@H](C[C@H]1CCC[N@@H+]1Cc1cn2ccccc2c1-c1nn[nH]n1)c1ccco1 ZINC000823673159 606986117 /nfs/dbraw/zinc/98/61/17/606986117.db2.gz JNCOFRQKZRUXLX-NVXWUHKLSA-N 1 0 378.436 2.801 20 0 GFADRO CC[C@H]([NH2+]C1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1)c1cccc(OC)c1 ZINC000820925750 607046633 /nfs/dbraw/zinc/04/66/33/607046633.db2.gz LJHIFCADLNAUAL-IBGZPJMESA-N 1 0 393.495 2.980 20 0 GFADRO CN(C[C@H]1CC[N@H+](Cc2cc(F)ccc2-c2nn[nH]n2)C1)C(=O)OC(C)(C)C ZINC000821596117 607064275 /nfs/dbraw/zinc/06/42/75/607064275.db2.gz AAQFRVZILCHWEH-CYBMUJFWSA-N 1 0 390.463 2.695 20 0 GFADRO C[C@@H](NC(=O)N1CC[NH+](C2CCCCC2)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000820352092 607064702 /nfs/dbraw/zinc/06/47/02/607064702.db2.gz RVLGPXWGNTYTJL-OAHLLOKOSA-N 1 0 383.500 2.588 20 0 GFADRO O=C(CC1CCCC1)NC1CC[NH+](Cc2cc(F)ccc2-c2nn[nH]n2)CC1 ZINC000822940707 607067291 /nfs/dbraw/zinc/06/72/91/607067291.db2.gz BEVWZECDUBJPFB-UHFFFAOYSA-N 1 0 386.475 2.667 20 0 GFADRO CN(Cc1cc(F)ccc1-c1nn[nH]n1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000821607169 607069562 /nfs/dbraw/zinc/06/95/62/607069562.db2.gz BXOADZLNGGCKOQ-QGZVFWFLSA-N 1 0 380.471 2.960 20 0 GFADRO CCC1(CC)[C@H]([N@H+](C)CCC(=O)Nc2ccccc2-c2nn[nH]n2)C[C@@H]1OC ZINC000820955644 607105854 /nfs/dbraw/zinc/10/58/54/607105854.db2.gz DGWLREAKKAQVKL-SJORKVTESA-N 1 0 386.500 2.721 20 0 GFADRO Fc1c(Cl)cccc1C[NH2+]C1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1 ZINC000822736584 607129192 /nfs/dbraw/zinc/12/91/92/607129192.db2.gz HIFJFKPXNHXOKE-UHFFFAOYSA-N 1 0 387.850 2.813 20 0 GFADRO C[C@@H]1C[N@@H+](CCCCNc2cc(-c3nn[nH]n3)c3ccccc3n2)C[C@H](C)O1 ZINC000820758692 607173802 /nfs/dbraw/zinc/17/38/02/607173802.db2.gz BLUBNIHVRAMGLU-GASCZTMLSA-N 1 0 381.484 2.716 20 0 GFADRO COc1cc(N[C@@H]2CCC[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C2)cc(OC)c1 ZINC000821719305 607177630 /nfs/dbraw/zinc/17/76/30/607177630.db2.gz AYANKKODBVHOPE-QGZVFWFLSA-N 1 0 394.479 2.960 20 0 GFADRO CC(C)C[NH+]1CCC(NC(=O)Nc2ccc(-c3nn[nH]n3)cc2Cl)CC1 ZINC000820093036 607199745 /nfs/dbraw/zinc/19/97/45/607199745.db2.gz RUGDWSDVPQAJBA-UHFFFAOYSA-N 1 0 377.880 2.762 20 0 GFADRO CC(C)[C@@H](C(=O)Nc1ccc(OCc2cccc(-c3nn[nH]n3)c2)cc1)[NH+](C)C ZINC000735691740 607203948 /nfs/dbraw/zinc/20/39/48/607203948.db2.gz PLWLDWHMYGVGHH-IBGZPJMESA-N 1 0 394.479 2.970 20 0 GFADRO Fc1cccc(F)c1-c1n[nH]cc1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC000822743673 607228980 /nfs/dbraw/zinc/22/89/80/607228980.db2.gz CPLOPZGZMSTUEZ-UHFFFAOYSA-N 1 0 385.353 2.964 20 0 GFADRO CN(C(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccccc1-c1nn[nH]n1 ZINC000825812831 607787159 /nfs/dbraw/zinc/78/71/59/607787159.db2.gz VLDGMJVIVSJSSZ-QGZVFWFLSA-N 1 0 376.464 2.742 20 0 GFADRO CC(C)(C)C[C@H]1CCC[N@@H+]1CCS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000824085127 607827829 /nfs/dbraw/zinc/82/78/29/607827829.db2.gz BXTGUURWLVHQOA-OAHLLOKOSA-N 1 0 377.514 2.541 20 0 GFADRO OC[C@H](C1CC1)[N@H+](CCOc1ccc(-c2nn[nH]n2)cc1)Cc1ccccc1 ZINC000826507966 607858761 /nfs/dbraw/zinc/85/87/61/607858761.db2.gz ZRMDVDMBWDTQRI-HXUWFJFHSA-N 1 0 379.464 2.519 20 0 GFADRO C[NH+]1CCC([C@H]2CCN(c3c(-c4nn[nH]n4)cnc4c(F)cc(F)cc43)C2)CC1 ZINC000826022815 607903993 /nfs/dbraw/zinc/90/39/93/607903993.db2.gz SMJDBBZVEKAXNU-ZDUSSCGKSA-N 1 0 399.449 2.861 20 0 GFADRO CC[C@@H]([NH2+]Cc1ccc(-c2nn[nH]n2)cc1)[C@H](c1ccc(C)cc1)n1cncn1 ZINC000825142586 607911473 /nfs/dbraw/zinc/91/14/73/607911473.db2.gz SPWFLFAQZMVNHA-UXHICEINSA-N 1 0 388.479 2.924 20 0 GFADRO C[C@@H]1C[NH+](C)C[C@@H](C)N1C(=O)c1cccc(Oc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000824974726 607913360 /nfs/dbraw/zinc/91/33/60/607913360.db2.gz DYUPHNCKCWQRHX-HUUCEWRRSA-N 1 0 392.463 2.824 20 0 GFADRO O[C@@H]1C[C@H](c2ccc(F)cc2)[N@H+](CCCOc2cccc(-c3nn[nH]n3)c2)C1 ZINC000826505927 607943510 /nfs/dbraw/zinc/94/35/10/607943510.db2.gz ILSDOWGDCNJRDU-IEBWSBKVSA-N 1 0 383.427 2.583 20 0 GFADRO COCC[C@H](c1ccccc1)[NH+]1CCN(c2cccc(F)c2-c2nn[nH]n2)CC1 ZINC000826155263 607958480 /nfs/dbraw/zinc/95/84/80/607958480.db2.gz KZAWQXZKGADIAL-GOSISDBHSA-N 1 0 396.470 2.906 20 0 GFADRO COCC1(O)CC[NH+](Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)CC1 ZINC000826153665 607991274 /nfs/dbraw/zinc/99/12/74/607991274.db2.gz WFUHAWYWMXCRCX-UHFFFAOYSA-N 1 0 379.464 2.507 20 0 GFADRO COc1cc(-c2nn[nH]n2)ccc1OCC[NH+]1CC(Cc2ccc(F)cc2)C1 ZINC000826175454 608037268 /nfs/dbraw/zinc/03/72/68/608037268.db2.gz GANBYNDRAVZFEO-UHFFFAOYSA-N 1 0 383.427 2.568 20 0 GFADRO O=C(CC[N@H+]1CC[C@@H](C(F)F)C1)Nc1sc2c(c1-c1nn[nH]n1)CCCC2 ZINC000826406602 608044846 /nfs/dbraw/zinc/04/48/46/608044846.db2.gz DQPWAFNCOZPROF-SNVBAGLBSA-N 1 0 396.467 2.723 20 0 GFADRO COc1cccc(CCC[N@@H+]2CCO[C@@H](c3cccc(-c4nn[nH]n4)c3)C2)c1 ZINC000826215945 608068078 /nfs/dbraw/zinc/06/80/78/608068078.db2.gz DBCYRDZXIXBCGF-HXUWFJFHSA-N 1 0 379.464 2.881 20 0 GFADRO CC[N@H+](Cc1ccc(OC)cc1)[C@H](C)C(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000825435278 608153236 /nfs/dbraw/zinc/15/32/36/608153236.db2.gz RUVHWNQVNLZHPP-CQSZACIVSA-N 1 0 380.452 2.724 20 0 GFADRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)c1cccc(Oc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000824859265 608202179 /nfs/dbraw/zinc/20/21/79/608202179.db2.gz OYLBLUNUPMPJEN-HUUCEWRRSA-N 1 0 392.463 2.824 20 0 GFADRO c1cc(-c2nn[nH]n2)ccc1OCCC[N@@H+]1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC000826514202 608256560 /nfs/dbraw/zinc/25/65/60/608256560.db2.gz KBWBGWPPMVGUOW-MRXNPFEDSA-N 1 0 394.483 2.511 20 0 GFADRO COC(=O)C(C)(C)[C@@H]1CCC[N@H+](Cc2cn3ccccc3c2-c2nn[nH]n2)C1 ZINC000826099011 608266361 /nfs/dbraw/zinc/26/63/61/608266361.db2.gz VSSZOKBALHNAPM-OAHLLOKOSA-N 1 0 382.468 2.531 20 0 GFADRO COCC[N@H+](C)CCCC1CCN(c2ccc(-c3nn[nH]n3)cc2F)CC1 ZINC000826157760 608303995 /nfs/dbraw/zinc/30/39/95/608303995.db2.gz KRFKDWKHRGYZOK-UHFFFAOYSA-N 1 0 376.480 2.581 20 0 GFADRO NC(=O)c1csc(C[NH2+]Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)c1 ZINC000826394113 608311077 /nfs/dbraw/zinc/31/10/77/608311077.db2.gz XHEBNEURBPTXCS-UHFFFAOYSA-N 1 0 390.472 2.984 20 0 GFADRO Cc1nn(-c2ccccc2)c(C[NH+]2CCC(OC(C)C)CC2)c1-c1nn[nH]n1 ZINC000826332051 608312925 /nfs/dbraw/zinc/31/29/25/608312925.db2.gz IGLIPORQZHOIPB-UHFFFAOYSA-N 1 0 381.484 2.750 20 0 GFADRO COC(=O)[C@H](C)C[N@H+](Cc1ccccc1)Cc1ccc(-c2nn[nH]n2)cc1OC ZINC000826104147 608357412 /nfs/dbraw/zinc/35/74/12/608357412.db2.gz QMWSZUOJGGAPLU-OAHLLOKOSA-N 1 0 395.463 2.687 20 0 GFADRO Brc1cc(-c2nn[nH]n2)ccc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000823827242 608368433 /nfs/dbraw/zinc/36/84/33/608368433.db2.gz YFCKFHJUBJZNRW-CYBMUJFWSA-N 1 0 377.290 2.694 20 0 GFADRO Cc1cc(F)cc2c1ncc(-c1nn[nH]n1)c2N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000826267957 608369171 /nfs/dbraw/zinc/36/91/71/608369171.db2.gz DNJHCKSHZURFKM-HNNXBMFYSA-N 1 0 381.459 2.927 20 0 GFADRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNc3ccc(-c4nn[nH]n4)nn3)cc2)C1 ZINC000824875946 608399256 /nfs/dbraw/zinc/39/92/56/608399256.db2.gz PRJNTHSLUFLUMC-HUUCEWRRSA-N 1 0 378.484 2.747 20 0 GFADRO Cc1cccc(NC(=O)[C@@H]2CCC[N@H+](Cc3cccc(-c4nn[nH]n4)c3F)C2)n1 ZINC000826298788 608403244 /nfs/dbraw/zinc/40/32/44/608403244.db2.gz HHNXEOXTKZUGLY-OAHLLOKOSA-N 1 0 395.442 2.560 20 0 GFADRO C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@@H+]1Cc1cccc(-c2nn[nH]n2)c1F ZINC000824892773 608411462 /nfs/dbraw/zinc/41/14/62/608411462.db2.gz MNZJKHVYJGVPLP-GXTWGEPZSA-N 1 0 390.463 2.883 20 0 GFADRO O[C@]1(Cc2cccc(Cl)c2)CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2F)C1 ZINC000826506021 608420745 /nfs/dbraw/zinc/42/07/45/608420745.db2.gz LBYREDXDAASNQD-IBGZPJMESA-N 1 0 387.846 2.839 20 0 GFADRO C[C@H]([NH2+]CC(=O)NCc1ccc(-c2nn[nH]n2)cc1)c1ccc2ccccc2c1 ZINC000824564518 608422892 /nfs/dbraw/zinc/42/28/92/608422892.db2.gz VDLLWMXUDAOGOM-HNNXBMFYSA-N 1 0 386.459 2.987 20 0 GFADRO CCOc1ccc([C@@H](C)[NH2+]Cc2cccc(C(=O)OC)c2-c2nn[nH]n2)cc1 ZINC000825631475 608430388 /nfs/dbraw/zinc/43/03/88/608430388.db2.gz BHCPBNFXECFDNG-CYBMUJFWSA-N 1 0 381.436 2.903 20 0 GFADRO COc1cccc([C@@H](C)[NH2+]CC(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)c1 ZINC000826214368 608432320 /nfs/dbraw/zinc/43/23/20/608432320.db2.gz JNSZPVJXUXVRFG-LLVKDONJSA-N 1 0 386.843 2.818 20 0 GFADRO CC(C)Oc1ccccc1[C@H](C)[NH2+]CC(=O)NCc1cccc(-c2nn[nH]n2)c1 ZINC000824332932 608452422 /nfs/dbraw/zinc/45/24/22/608452422.db2.gz AZDOTKJQIAEOFO-HNNXBMFYSA-N 1 0 394.479 2.621 20 0 GFADRO C[C@H]([NH2+]CC(=O)N1c2ccccc2CC[C@H]1C)c1ccc(-c2nn[nH]n2)cc1 ZINC000824555092 608466401 /nfs/dbraw/zinc/46/64/01/608466401.db2.gz USFKEFBSQWBJBA-CABCVRRESA-N 1 0 376.464 2.885 20 0 GFADRO C[C@@H]([NH2+]CC(=O)NCCc1ccc(Cl)cc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824562010 608466542 /nfs/dbraw/zinc/46/65/42/608466542.db2.gz ASNLWBMOUVTRPE-CYBMUJFWSA-N 1 0 384.871 2.530 20 0 GFADRO C[C@@H]([NH2+]Cc1cccc(-c2nn[nH]n2)c1F)c1cccc(N2CCCC2=O)c1 ZINC000824617746 608476091 /nfs/dbraw/zinc/47/60/91/608476091.db2.gz JYZWZSIIVYGRDA-CYBMUJFWSA-N 1 0 380.427 2.983 20 0 GFADRO C[C@@H]([NH2+]CC(=O)N(C)[C@H](C)c1ccc(F)cc1)c1cccc(-c2nn[nH]n2)c1 ZINC000824553708 608481808 /nfs/dbraw/zinc/48/18/08/608481808.db2.gz FYLISYNOYFECIQ-ZIAGYGMSSA-N 1 0 382.443 2.876 20 0 GFADRO C[C@@H]1CN(C(C)(C)C[NH2+][C@@H]2CCCc3cc(-c4nn[nH]n4)ccc32)C[C@H](C)O1 ZINC000824978797 608498582 /nfs/dbraw/zinc/49/85/82/608498582.db2.gz XNKQKPMEKFPBSN-ZRGWGRIASA-N 1 0 384.528 2.722 20 0 GFADRO COc1ccc(OC)c([C@H](O)C[NH2+][C@H]2CCCc3cc(-c4nn[nH]n4)ccc32)c1 ZINC000826210917 608498743 /nfs/dbraw/zinc/49/87/43/608498743.db2.gz JFBBXRLTMJCDNA-RBUKOAKNSA-N 1 0 395.463 2.585 20 0 GFADRO CCc1oc2ccccc2c1C[NH+]1CCN(c2ncccc2-c2nn[nH]n2)CC1 ZINC000825776358 608508848 /nfs/dbraw/zinc/50/88/48/608508848.db2.gz GZPHPMMODPPGJP-UHFFFAOYSA-N 1 0 389.463 2.893 20 0 GFADRO OC[C@H](Cc1c[nH]c2ccccc12)[NH2+][C@@H]1CCCc2cc(-c3nn[nH]n3)ccc21 ZINC000826507760 608512884 /nfs/dbraw/zinc/51/28/84/608512884.db2.gz WACPMHQOOUGPAZ-LAUBAEHRSA-N 1 0 388.475 2.919 20 0 GFADRO OC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc(OCc2ccccc2-c2nn[nH]n2)c1 ZINC000826507359 608515330 /nfs/dbraw/zinc/51/53/30/608515330.db2.gz NCZYQRYEPIFFJU-DFNIBXOVSA-N 1 0 391.475 2.933 20 0 GFADRO COc1cccc2cc(C[NH+]3CCN(c4ccccc4-c4nn[nH]n4)CC3)oc21 ZINC000826217896 608515743 /nfs/dbraw/zinc/51/57/43/608515743.db2.gz GZNHDHZAWDKWFE-UHFFFAOYSA-N 1 0 390.447 2.944 20 0 GFADRO O=C1[C@H]([NH2+][C@H]2CCCc3cc(-c4nn[nH]n4)ccc32)CCN1C1CCCCC1 ZINC000826476553 608523771 /nfs/dbraw/zinc/52/37/71/608523771.db2.gz KHCLSGVMVKTHIL-RBUKOAKNSA-N 1 0 380.496 2.767 20 0 GFADRO COc1ccc2c(c1)OC[C@@H]([NH2+][C@H]1CCCc3cc(-c4nn[nH]n4)ccc31)C2 ZINC000826213181 608526563 /nfs/dbraw/zinc/52/65/63/608526563.db2.gz NNZUCIRCZWJWAA-LPHOPBHVSA-N 1 0 377.448 2.846 20 0 GFADRO FC(F)(F)COc1ccc(C[NH2+]C2(c3cccc(-c4nn[nH]n4)c3)CC2)cn1 ZINC000826367770 608530926 /nfs/dbraw/zinc/53/09/26/608530926.db2.gz NJARJEXPYGOVNS-UHFFFAOYSA-N 1 0 390.369 2.982 20 0 GFADRO CCc1ccc(C(C)(C)[NH2+]CC(=O)NCc2cccc(-c3nn[nH]n3)c2)cc1 ZINC000825704826 608538077 /nfs/dbraw/zinc/53/80/77/608538077.db2.gz NXPCRHFXWMUHMF-UHFFFAOYSA-N 1 0 378.480 2.570 20 0 GFADRO Cc1cc([C@H](C)[NH2+]CCS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)c(C)s1 ZINC000826262021 608578416 /nfs/dbraw/zinc/57/84/16/608578416.db2.gz BTFQFCBOSLNMHL-LBPRGKRZSA-N 1 0 391.522 2.670 20 0 GFADRO c1ccc(N2CCC[N@@H+](Cc3nc4c(s3)CCC4)CC2)c(-c2nn[nH]n2)c1 ZINC000826521983 608582159 /nfs/dbraw/zinc/58/21/59/608582159.db2.gz GQXRWYUEHWPDSI-UHFFFAOYSA-N 1 0 381.509 2.524 20 0 GFADRO Fc1cccc(N2CC[NH+](C[C@@H]3C[C@H]3c3ccccc3)CC2)c1-c1nn[nH]n1 ZINC000826377627 608596388 /nfs/dbraw/zinc/59/63/88/608596388.db2.gz ZIYHRSGGGIYORL-IRXDYDNUSA-N 1 0 378.455 2.932 20 0 GFADRO Fc1cccc(N2CC[NH+](Cc3cncc4ccccc43)CC2)c1-c1nn[nH]n1 ZINC000826377530 608596421 /nfs/dbraw/zinc/59/64/21/608596421.db2.gz VVVWFRFQGFKUAT-UHFFFAOYSA-N 1 0 389.438 2.876 20 0 GFADRO C[C@H](c1ccc(-n2cncn2)cc1)[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1F ZINC000824764898 608643590 /nfs/dbraw/zinc/64/35/90/608643590.db2.gz ZQFVFVFUDLMJBD-CYBMUJFWSA-N 1 0 378.415 2.780 20 0 GFADRO Cc1ccc(C[NH+]2CCN(c3c(-c4nn[nH]n4)cnc4ccccc43)CC2)o1 ZINC000826287937 608655726 /nfs/dbraw/zinc/65/57/26/608655726.db2.gz KBHZAWJATRCVBA-UHFFFAOYSA-N 1 0 375.436 2.639 20 0 GFADRO C[C@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)s2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000824983543 608701052 /nfs/dbraw/zinc/70/10/52/608701052.db2.gz BLLZMJVVDAZMEU-AAEUAGOBSA-N 1 0 378.502 2.663 20 0 GFADRO CCC[C@H](C(=O)Nc1ccc(Oc2ccc(-c3nn[nH]n3)cc2)nc1)[NH+](C)C ZINC000825224992 608759557 /nfs/dbraw/zinc/75/95/57/608759557.db2.gz JAFMRSJCWCTYKE-MRXNPFEDSA-N 1 0 381.440 2.723 20 0 GFADRO CC[C@@H]1C[N@H+](Cc2cccc(OCc3cccc(-c4nn[nH]n4)c3)c2)C[C@@H]1O ZINC000825211979 608848886 /nfs/dbraw/zinc/84/88/86/608848886.db2.gz PGBUNOVVMLEJCS-XLIONFOSSA-N 1 0 379.464 2.648 20 0 GFADRO C[C@@H]([NH2+]CCNc1nccc(C(F)(F)F)n1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824599467 609144369 /nfs/dbraw/zinc/14/43/69/609144369.db2.gz PJTPUKAWEYFOAK-SECBINFHSA-N 1 0 396.352 2.577 20 0 GFADRO C[C@@H](C(=O)Nc1ccccc1-c1nn[nH]n1)[N@@H+]1CC[C@@H](COc2ccccc2)C1 ZINC000824046473 609147080 /nfs/dbraw/zinc/14/70/80/609147080.db2.gz SJDVZNYPKAYXJM-JKSUJKDBSA-N 1 0 392.463 2.595 20 0 GFADRO CC(C)Oc1ccc(NC(=O)NCC2(C)CC[NH+](C)CC2)cc1-c1nn[nH]n1 ZINC000824329248 609159041 /nfs/dbraw/zinc/15/90/41/609159041.db2.gz MYBKVMLFOVCRIM-UHFFFAOYSA-N 1 0 387.488 2.507 20 0 GFADRO c1ccc(-c2cncc(N3CC[NH+](Cc4ccc(-c5nn[nH]n5)cc4)CC3)n2)cc1 ZINC000826519032 609162351 /nfs/dbraw/zinc/16/23/51/609162351.db2.gz HIQXKOLDRLCXMK-UHFFFAOYSA-N 1 0 398.474 2.646 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O)c1ccnc(Cl)c1 ZINC000824546063 609168831 /nfs/dbraw/zinc/16/88/31/609168831.db2.gz GQJOMWHXAXXMEL-BLLLJJGKSA-N 1 0 397.870 2.761 20 0 GFADRO C[C@H]([NH2+][C@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O)c1ccc(Cl)nc1 ZINC000824545382 609169019 /nfs/dbraw/zinc/16/90/19/609169019.db2.gz CGBCFLYGIORTSJ-LRDDRELGSA-N 1 0 397.870 2.761 20 0 GFADRO CC(C)c1nnc2n1C[C@@H]([NH2+][C@H]1CCCc3cc(-c4nn[nH]n4)ccc31)CC2 ZINC000824364499 609184848 /nfs/dbraw/zinc/18/48/48/609184848.db2.gz JBHXYOFKVDTDGI-RDJZCZTQSA-N 1 0 378.484 2.564 20 0 GFADRO c1ccc(CN2CCC([NH2+]C3(c4cccc(-c5nn[nH]n5)c4)CC3)CC2)nc1 ZINC000826521658 609252616 /nfs/dbraw/zinc/25/26/16/609252616.db2.gz UWIDRPIIEHTEOC-UHFFFAOYSA-N 1 0 375.480 2.505 20 0 GFADRO C[C@H](NC(=S)Nc1ccccc1-c1nn[nH]n1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000824521224 609273780 /nfs/dbraw/zinc/27/37/80/609273780.db2.gz IGJGPCFVRNIKNR-UONOGXRCSA-N 1 0 385.541 2.806 20 0 GFADRO O=C(c1ccc(Cl)c(-c2nn[nH]n2)c1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000826473229 609287924 /nfs/dbraw/zinc/28/79/24/609287924.db2.gz PNAQZEXNPDOJAH-UHFFFAOYSA-N 1 0 396.882 2.868 20 0 GFADRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1ccc(Cl)c(-c2nn[nH]n2)c1 ZINC000824874458 609289664 /nfs/dbraw/zinc/28/96/64/609289664.db2.gz CYDPIEBDGJJHSH-JHJVBQTASA-N 1 0 376.892 2.616 20 0 GFADRO C[C@@H]1CCC[C@@](CNC(=O)c2ccc(Cl)c(-c3nn[nH]n3)c2)([NH+](C)C)C1 ZINC000824925996 609297984 /nfs/dbraw/zinc/29/79/84/609297984.db2.gz IDMCTOASODJINJ-KZULUSFZSA-N 1 0 376.892 2.760 20 0 GFADRO C[C@@H](Nc1c2ccccc2nnc1-c1nn[nH]n1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000824649443 609313940 /nfs/dbraw/zinc/31/39/40/609313940.db2.gz MCNFUDQYPKWFNH-KGLIPLIRSA-N 1 0 378.484 2.875 20 0 GFADRO C[C@@H](Nc1c2ccccc2nnc1-c1nn[nH]n1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000824649445 609313972 /nfs/dbraw/zinc/31/39/72/609313972.db2.gz MCNFUDQYPKWFNH-ZIAGYGMSSA-N 1 0 378.484 2.875 20 0 GFADRO CCc1c(C)[nH+]c2ccccc2c1N(C)CCCc1[nH]nc(N)c1-c1nn[nH]n1 ZINC000825688207 609316143 /nfs/dbraw/zinc/31/61/43/609316143.db2.gz SRNZNGDLVYEQJR-UHFFFAOYSA-N 1 0 391.483 2.660 20 0 GFADRO C[C@H]([NH2+]Cc1cccc(CN2CCCC2=O)c1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824617337 609326219 /nfs/dbraw/zinc/32/62/19/609326219.db2.gz GUAVAIZYOMZOFM-AWEZNQCLSA-N 1 0 394.454 2.979 20 0 GFADRO C[C@H](C[NH2+]Cc1cn(C)nc1-c1ccc(-c2nn[nH]n2)cc1)Oc1ccccc1 ZINC000824428251 609339641 /nfs/dbraw/zinc/33/96/41/609339641.db2.gz RFMXLRGOUQKSFF-OAHLLOKOSA-N 1 0 389.463 2.824 20 0 GFADRO CCC1(C[NH2+]Cc2cn(C)nc2-c2ccc(-c3nn[nH]n3)cc2)CCOCC1 ZINC000825171313 609341222 /nfs/dbraw/zinc/34/12/22/609341222.db2.gz OKYBSVYXUMYKKL-UHFFFAOYSA-N 1 0 381.484 2.564 20 0 GFADRO Cn1cc(C[NH2+]CCc2cc(F)ccc2F)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826361642 609342029 /nfs/dbraw/zinc/34/20/29/609342029.db2.gz GUXIKEDFBQJEGZ-UHFFFAOYSA-N 1 0 395.417 2.878 20 0 GFADRO CCC1(CC)[C@@H]([NH2+]Cc2cn(C)nc2-c2ccc(-c3nn[nH]n3)cc2)C[C@@H]1OC ZINC000825171927 609342247 /nfs/dbraw/zinc/34/22/47/609342247.db2.gz WPTQHAGAYFPWKX-ROUUACIJSA-N 1 0 395.511 2.951 20 0 GFADRO C[C@@H]([NH2+][C@H](C)c1ccc(-c2nn[nH]n2)cc1F)c1ccc(-n2ccnn2)cc1 ZINC000824531675 609344710 /nfs/dbraw/zinc/34/47/10/609344710.db2.gz QBLWTKBIUXFPJC-CHWSQXEVSA-N 1 0 378.415 2.998 20 0 GFADRO Brc1cc(-c2nn[nH]n2)ccc1CN1CCO[C@H]2CCCC[C@H]21 ZINC000823821765 609358126 /nfs/dbraw/zinc/35/81/26/609358126.db2.gz ZRVLKSXAHKNSMO-CABCVRRESA-N 1 0 378.274 2.773 20 0 GFADRO C[N@@H+]1CCC[C@@H]2CN(Cc3ccc(-c4nn[nH]n4)cc3Br)CC[C@H]21 ZINC000826034442 609364778 /nfs/dbraw/zinc/36/47/78/609364778.db2.gz QVEXUFNOODKXSR-GDBMZVCRSA-N 1 0 391.317 2.545 20 0 GFADRO C[NH+]1CCC(CNC(=O)c2ccccc2Oc2ccccc2-c2nn[nH]n2)CC1 ZINC000826022317 609379534 /nfs/dbraw/zinc/37/95/34/609379534.db2.gz JMEXOOLPYGPKKP-UHFFFAOYSA-N 1 0 392.463 2.731 20 0 GFADRO C[C@H]([NH2+][C@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O)c1ccccc1F ZINC000824546404 609412288 /nfs/dbraw/zinc/41/22/88/609412288.db2.gz ISHIUXUGKOXGAG-UGSOOPFHSA-N 1 0 380.427 2.852 20 0 GFADRO Cc1cc(C[NH2+][C@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)ccc1F ZINC000826267274 609413728 /nfs/dbraw/zinc/41/37/28/609413728.db2.gz YJGYVHVFZIFXPS-SFHVURJKSA-N 1 0 380.427 2.599 20 0 GFADRO CCOc1ccc(C[NH2+][C@@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)cc1 ZINC000825638150 609415154 /nfs/dbraw/zinc/41/51/54/609415154.db2.gz HJGPHWIDBWXODY-LJQANCHMSA-N 1 0 392.463 2.551 20 0 GFADRO OC[C@H]([NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)c1ccc(Br)cc1 ZINC000826508012 609427352 /nfs/dbraw/zinc/42/73/52/609427352.db2.gz BFCVHRFYXUOCGM-HNNXBMFYSA-N 1 0 392.232 2.592 20 0 GFADRO Cn1cc(-c2nn[nH]n2)cc1C(=O)OC[C@]1(C)CCCC[N@@H+]1Cc1ccccc1 ZINC000826358588 609437944 /nfs/dbraw/zinc/43/79/44/609437944.db2.gz ZMOMXHHFYCGORA-NRFANRHFSA-N 1 0 394.479 2.807 20 0 GFADRO COc1ccccc1[C@H](CNc1nccc(C)c1-c1nn[nH]n1)[NH+]1CCCC1 ZINC000826219234 609520100 /nfs/dbraw/zinc/52/01/00/609520100.db2.gz WILGROCLZOTYJZ-INIZCTEOSA-N 1 0 379.468 2.828 20 0 GFADRO C[C@H]1CC(C(=O)N(CC[NH+](C)C)Cc2cccc(-c3nn[nH]n3)c2)C[C@H](C)C1 ZINC000824875240 609576606 /nfs/dbraw/zinc/57/66/06/609576606.db2.gz JVZYBRCNWRIDOB-HZPDHXFCSA-N 1 0 384.528 2.829 20 0 GFADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)Nc2nnc(SCC)s2)[C@H](C)C1 ZINC000522465110 650625098 /nfs/dbraw/zinc/62/50/98/650625098.db2.gz HGVLSVBQBAOKQB-OLZOCXBDSA-N 1 0 387.575 2.909 20 0 GFADRO COC1([C@@H](C)[NH2+]CC2CCN(S(=O)(=O)C(F)(F)F)CC2)CCCCC1 ZINC000817577404 660201525 /nfs/dbraw/zinc/20/15/25/660201525.db2.gz JMZRIARWTBKJGH-CYBMUJFWSA-N 1 0 386.480 2.875 20 0 GFADRO COc1cc([C@H](C)N[C@H](C[NH3+])C2CCCC2)ccc1S(=O)(=O)C(F)F ZINC000817980427 660212717 /nfs/dbraw/zinc/21/27/17/660212717.db2.gz ASXBRJKVABYGCO-SMDDNHRTSA-N 1 0 376.469 2.860 20 0 GFADRO C[N@@H+]1CCC[C@]2(CCN(C(=O)COc3ccc(C=O)cc3Br)C2)C1 ZINC000818177716 660218726 /nfs/dbraw/zinc/21/87/26/660218726.db2.gz NKLXBNDCIOWAPZ-SFHVURJKSA-N 1 0 395.297 2.585 20 0 GFADRO COc1ccc(S(=O)(=O)N(C)CCCCCCC[NH3+])cc1Br ZINC000818619937 660230314 /nfs/dbraw/zinc/23/03/14/660230314.db2.gz OZLRRMAOAWRKMB-UHFFFAOYSA-N 1 0 393.347 2.987 20 0 GFADRO CN(Cc1ccccc1)C(=O)C[NH2+]C[C@H](O)c1ccccc1Br ZINC000818965107 660239037 /nfs/dbraw/zinc/23/90/37/660239037.db2.gz DJRULSMCZZFPEL-KRWDZBQOSA-N 1 0 377.282 2.731 20 0 GFADRO CN(C[C@H](O)C[NH2+]CCc1ccc(Br)s1)C(=O)OC(C)(C)C ZINC000818945411 660236337 /nfs/dbraw/zinc/23/63/37/660236337.db2.gz FOOCECNGAABMBN-LLVKDONJSA-N 1 0 393.347 2.871 20 0 GFADRO O[C@@H](C[NH2+]Cc1ccnc(N2CCOCC2)c1)c1ccc(Br)cc1 ZINC000818951385 660237133 /nfs/dbraw/zinc/23/71/33/660237133.db2.gz DJEPBWSNWIJJJV-KRWDZBQOSA-N 1 0 392.297 2.504 20 0 GFADRO Cc1ncc2c(n1)CC[C@@H]([NH2+]C[C@@H](O)c1ccc(F)c(Br)c1)C2 ZINC000818949395 660237139 /nfs/dbraw/zinc/23/71/39/660237139.db2.gz LUXGUIMXCBIIQT-CXAGYDPISA-N 1 0 380.261 2.867 20 0 GFADRO CCS(=O)(=O)C[C@H](C)[NH2+]C[C@@](C)(O)c1ccc(Br)cc1Cl ZINC000819065199 660245274 /nfs/dbraw/zinc/24/52/74/660245274.db2.gz LZFNESNKWOAKJB-IINYFYTJSA-N 1 0 398.750 2.723 20 0 GFADRO O=S(=O)(CC[NH2+]C[C@H](O)c1cccc(Br)c1)Cc1ccccc1 ZINC000818977012 660240209 /nfs/dbraw/zinc/24/02/09/660240209.db2.gz QICYTGKVKOHPNE-KRWDZBQOSA-N 1 0 398.322 2.687 20 0 GFADRO CC(C)(C)OC(=O)NCC[NH2+]C[C@H](O)COc1c(Cl)cccc1Cl ZINC000818983139 660241322 /nfs/dbraw/zinc/24/13/22/660241322.db2.gz YDMMGLNXKXXCAJ-NSHDSACASA-N 1 0 379.284 2.847 20 0 GFADRO CC(C)(C)OC(=O)NC[C@@](C)(O)C[NH2+]Cc1ccc(Br)c(F)c1 ZINC000818984638 660241337 /nfs/dbraw/zinc/24/13/37/660241337.db2.gz JUDHLSGYHNSDIT-INIZCTEOSA-N 1 0 391.281 2.954 20 0 GFADRO O[C@@H](C[NH2+][C@@H]1CCN(CC(F)(F)F)C1)c1ccc(F)c(Br)c1 ZINC000818987083 660241641 /nfs/dbraw/zinc/24/16/41/660241641.db2.gz SFWMCQVHQGZXHG-MFKMUULPSA-N 1 0 385.199 2.848 20 0 GFADRO COC(=O)N1CCC[C@@H]([NH2+]C[C@H](O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000819003910 660242906 /nfs/dbraw/zinc/24/29/06/660242906.db2.gz SRZHQUPQDASCHC-NEPJUHHUSA-N 1 0 377.268 2.554 20 0 GFADRO COC(=O)N1CCC[C@H]([NH2+]C[C@@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000819001268 660242932 /nfs/dbraw/zinc/24/29/32/660242932.db2.gz ARRSZUFNQYLZSY-NWDGAFQWSA-N 1 0 377.268 2.554 20 0 GFADRO CC(C)(C)OC(=O)NCC[C@@H](O)C[NH2+]Cc1ccc(Br)cc1F ZINC000819052989 660244425 /nfs/dbraw/zinc/24/44/25/660244425.db2.gz HQZGDKDQEWBFNK-CYBMUJFWSA-N 1 0 391.281 2.954 20 0 GFADRO C[C@](O)(C[NH2+]CCN1CCSCC1)c1ccc(Br)cc1Cl ZINC000819056953 660244812 /nfs/dbraw/zinc/24/48/12/660244812.db2.gz PUVMKTQPZUEYDU-HNNXBMFYSA-N 1 0 393.778 2.948 20 0 GFADRO CN1CCC[C@H]([NH2+]C[C@](C)(O)c2ccc(Br)cc2Cl)C1=O ZINC000819133804 660247608 /nfs/dbraw/zinc/24/76/08/660247608.db2.gz RPLIMGBLPNGFJB-ZFWWWQNUSA-N 1 0 375.694 2.520 20 0 GFADRO COc1cc(C[NH2+]C[C@H](O)Cc2ccc(F)cc2)cc(Br)c1O ZINC000819177141 660248811 /nfs/dbraw/zinc/24/88/11/660248811.db2.gz KUWLOAYYKUVOGD-CQSZACIVSA-N 1 0 384.245 2.996 20 0 GFADRO Cc1cc(N2CCC[C@H]([NH2+]C[C@H](O)c3ccc(Br)cc3)C2)n(C)n1 ZINC000819267203 660252906 /nfs/dbraw/zinc/25/29/06/660252906.db2.gz RWALHONCKKKZMP-IRXDYDNUSA-N 1 0 393.329 2.783 20 0 GFADRO CCO[C@@H]1C[C@H]([NH2+]C[C@@H](O)c2cccc(Br)c2)[C@@H]1n1cccn1 ZINC000819332360 660255086 /nfs/dbraw/zinc/25/50/86/660255086.db2.gz BTRLJZWTNJHYFT-HZMVEIRTSA-N 1 0 380.286 2.687 20 0 GFADRO CS(=O)(=O)CC1CCC([NH2+]C[C@@H](O)c2ccc(Br)cc2)CC1 ZINC000819336320 660255512 /nfs/dbraw/zinc/25/55/12/660255512.db2.gz FWTPGTRMCWRUCV-VDSRIPIWSA-N 1 0 390.343 2.676 20 0 GFADRO CN(C[C@@H](O)C[NH2+]CCOc1ccc(F)c(Cl)c1)C(=O)OC(C)(C)C ZINC000819340658 660255693 /nfs/dbraw/zinc/25/56/93/660255693.db2.gz DSXRQIDMKQFXTD-LBPRGKRZSA-N 1 0 376.856 2.675 20 0 GFADRO CCOC(=O)c1cccc(OC[C@@H](O)C[NH2+]C[C@@]2(C)CC2(Cl)Cl)c1 ZINC000819348869 660256170 /nfs/dbraw/zinc/25/61/70/660256170.db2.gz RBQFFFWDNBEGET-XJKSGUPXSA-N 1 0 376.280 2.777 20 0 GFADRO C[C@@]1(CC[NH2+]C[C@@H](O)COc2ccc3c(c2)CCC(=O)N3)CC1(Cl)Cl ZINC000819349570 660256200 /nfs/dbraw/zinc/25/62/00/660256200.db2.gz LDCVGDMBNDCNEH-CXAGYDPISA-N 1 0 387.307 2.875 20 0 GFADRO CC(=O)Nc1ccc(OC[C@@H](O)C[NH2+]CC[C@@]2(C)CC2(Cl)Cl)cc1 ZINC000819350810 660256429 /nfs/dbraw/zinc/25/64/29/660256429.db2.gz RULVDYZFAXNQKK-HOCLYGCPSA-N 1 0 375.296 2.948 20 0 GFADRO C[N@@H+]1CC[C@@]2(CCN(C(=O)c3cc(Br)c4nccnc4c3)C2)C1 ZINC000820341448 660290026 /nfs/dbraw/zinc/29/00/26/660290026.db2.gz DCPMBKAPELIYMD-QGZVFWFLSA-N 1 0 375.270 2.560 20 0 GFADRO C[N@@H+]1CCC[C@@H]1[C@H]1COCCN1C(=O)C[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000820459220 660294312 /nfs/dbraw/zinc/29/43/12/660294312.db2.gz MOWASXFFDGNXGX-BRWVUGGUSA-N 1 0 387.307 2.739 20 0 GFADRO Cn1nc(Br)cc1NC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000821466671 660326858 /nfs/dbraw/zinc/32/68/58/660326858.db2.gz METLRYYIZUYRNQ-IUODEOHRSA-N 1 0 378.274 2.750 20 0 GFADRO O=C(NCCc1ccc(OCC[NH+]2CCCC2)cc1)C1(Br)CC1 ZINC000821715786 660331883 /nfs/dbraw/zinc/33/18/83/660331883.db2.gz GPNSUSIPVQJIIU-UHFFFAOYSA-N 1 0 381.314 2.747 20 0 GFADRO C[NH+]1CCC(OCC(=O)N2CCC[C@H]2c2ccc(Br)cn2)CC1 ZINC000822322357 660342939 /nfs/dbraw/zinc/34/29/39/660342939.db2.gz NWDIJZGTOLMLDR-INIZCTEOSA-N 1 0 382.302 2.618 20 0 GFADRO Cc1cnc(Br)cc1NC(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000822737839 660353301 /nfs/dbraw/zinc/35/33/01/660353301.db2.gz SBBAVTMIIYITSB-CYBMUJFWSA-N 1 0 385.306 2.727 20 0 GFADRO C[C@H](CNC(=O)c1csc(I)n1)C[NH+]1CCCCC1 ZINC000822874566 660356266 /nfs/dbraw/zinc/35/62/66/660356266.db2.gz OLDNBMNACMJSNC-SNVBAGLBSA-N 1 0 393.294 2.600 20 0 GFADRO C[C@@H]([NH3+])[C@H](C)c1nc(Cc2cccc(F)c2I)no1 ZINC000822981044 660359323 /nfs/dbraw/zinc/35/93/23/660359323.db2.gz UGMNVPQQAQLGEN-JGVFFNPUSA-N 1 0 375.185 2.855 20 0 GFADRO Fc1cccc(Cc2noc([C@@H]3CCC[NH2+]C3)n2)c1I ZINC000822980334 660359343 /nfs/dbraw/zinc/35/93/43/660359343.db2.gz GNOSBJCCUHVQOQ-SNVBAGLBSA-N 1 0 387.196 2.871 20 0 GFADRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)c1cc2ccc(Br)cc2c(=O)o1 ZINC000823133736 660362750 /nfs/dbraw/zinc/36/27/50/660362750.db2.gz QWOUDCMHQGDFMW-ZDUSSCGKSA-N 1 0 379.254 2.722 20 0 GFADRO Brc1cccc(-c2nc(-c3noc([C@H]4C[C@@]45CC[NH2+]C5)n3)n[nH]2)c1 ZINC000823184938 660364191 /nfs/dbraw/zinc/36/41/91/660364191.db2.gz KSHJIFUSACXZLL-BDJLRTHQSA-N 1 0 387.241 2.751 20 0 GFADRO COC[C@@]1(c2nc(C3(c4ccccc4Br)CC3)no2)CC[NH2+]C1 ZINC000823216302 660365333 /nfs/dbraw/zinc/36/53/33/660365333.db2.gz SANOTKMLVQKZPT-MRXNPFEDSA-N 1 0 378.270 2.790 20 0 GFADRO CC[N@H+](C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1)[C@@H](C)CS(C)(=O)=O ZINC000823452530 660372528 /nfs/dbraw/zinc/37/25/28/660372528.db2.gz BITZAVCZSFXGOD-OWCLPIDISA-N 1 0 376.563 2.777 20 0 GFADRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1csc(I)n1 ZINC000823332016 660368662 /nfs/dbraw/zinc/36/86/62/660368662.db2.gz HASQVHKJRKMROJ-NXEZZACHSA-N 1 0 393.294 2.598 20 0 GFADRO NS(=O)(=O)c1cnc(NC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)s1 ZINC000515149471 648482650 /nfs/dbraw/zinc/48/26/50/648482650.db2.gz VUFMWFNBWNFJLR-HNNXBMFYSA-N 1 0 380.539 2.505 20 0 GFADRO CCOC(=O)C(F)(F)[C@H]1CC[C@H]([NH2+]C2CCC(CS(C)(=O)=O)CC2)C1 ZINC000824533843 660396199 /nfs/dbraw/zinc/39/61/99/660396199.db2.gz QDPXALCMBGNATR-SHWKFHJASA-N 1 0 381.485 2.547 20 0 GFADRO O=c1ccc(Br)cn1CC[NH2+][C@@H]1CC[C@@H]2SCCS[C@@H]12 ZINC000824543174 660396407 /nfs/dbraw/zinc/39/64/07/660396407.db2.gz FTOADEGKEBLCMH-DYEKYZERSA-N 1 0 375.357 2.580 20 0 GFADRO Cc1c(F)c(Br)ccc1NC(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000824555116 660396611 /nfs/dbraw/zinc/39/66/11/660396611.db2.gz BSFWUMVHUQNFSW-RYUDHWBXSA-N 1 0 386.265 2.881 20 0 GFADRO C[N@@H+](Cc1ccc(Br)s1)C[C@H](O)CNC(=O)OC(C)(C)C ZINC000824564021 660397072 /nfs/dbraw/zinc/39/70/72/660397072.db2.gz FNZLYRHDWMLXGM-SNVBAGLBSA-N 1 0 379.320 2.828 20 0 GFADRO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)c1ncc(C(F)(F)F)cc1Cl ZINC000824826553 660403138 /nfs/dbraw/zinc/40/31/38/660403138.db2.gz KSBPJGWDFDRADC-NSHDSACASA-N 1 0 380.842 2.756 20 0 GFADRO Cc1cc(C(=O)NC2CC[NH+](C3CCOCC3)CC2)cnc1Br ZINC000824878273 660403842 /nfs/dbraw/zinc/40/38/42/660403842.db2.gz HMTHRTFCPIEOTH-UHFFFAOYSA-N 1 0 382.302 2.526 20 0 GFADRO Cn1c(Cl)cnc1C[NH2+]C[C@H](CO)Cc1cc(Br)ccc1F ZINC000825073609 660409595 /nfs/dbraw/zinc/40/95/95/660409595.db2.gz WXYODJNOJPVMMS-SNVBAGLBSA-N 1 0 390.684 2.916 20 0 GFADRO Cn1ccnc1[C@H]1C[C@H]([NH2+]Cc2nc3ccccn3c2Br)CCO1 ZINC000825325339 660420817 /nfs/dbraw/zinc/42/08/17/660420817.db2.gz BBOUUGCDSBEREB-TZMCWYRMSA-N 1 0 390.285 2.840 20 0 GFADRO O=C(c1ccc(C[NH+]2CCCCC2)o1)N1CCn2ncc(Br)c2C1 ZINC000825488871 660429954 /nfs/dbraw/zinc/42/99/54/660429954.db2.gz URZSIYOFJKJTIN-UHFFFAOYSA-N 1 0 393.285 2.881 20 0 GFADRO CCC[N@@H+]1CC[C@H](NC(=O)c2cc(Br)cnc2Br)C1 ZINC000825625331 660435168 /nfs/dbraw/zinc/43/51/68/660435168.db2.gz KASWUGLSVNHXFR-JTQLQIEISA-N 1 0 391.107 2.821 20 0 GFADRO COCCC[NH+]1CCC(NC(=O)c2cc(Cl)nc(C(F)(F)F)c2)CC1 ZINC000825531610 660432393 /nfs/dbraw/zinc/43/23/93/660432393.db2.gz YWWJLYNQEBFULF-UHFFFAOYSA-N 1 0 379.810 2.985 20 0 GFADRO C[C@@H](CNC(=O)c1c(Br)nc2n1CCC2)[N@H+](C)Cc1ccccc1 ZINC000825797386 660442400 /nfs/dbraw/zinc/44/24/00/660442400.db2.gz VMJHHBVNVLLMFJ-ZDUSSCGKSA-N 1 0 391.313 2.842 20 0 GFADRO CN(C[C@H](O)c1ccccc1Br)c1nc(N)[nH+]c2c1CCCC2 ZINC000826120722 660450144 /nfs/dbraw/zinc/45/01/44/660450144.db2.gz AUSZNLZRBDUAFF-HNNXBMFYSA-N 1 0 377.286 2.870 20 0 GFADRO CC(C)c1ncc(Br)c(C(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)n1 ZINC000826702021 660461917 /nfs/dbraw/zinc/46/19/17/660461917.db2.gz BFRJJFZZXIRUJN-ZDUSSCGKSA-N 1 0 399.333 2.545 20 0 GFADRO O=C(NC[C@@H]1CCC[N@H+](CC2CC2)C1)c1cnn2cccc(Br)c12 ZINC000826751566 660463303 /nfs/dbraw/zinc/46/33/03/660463303.db2.gz RIXQLAASGJULSH-AWEZNQCLSA-N 1 0 391.313 2.949 20 0 GFADRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)[C@H](O)c2ccc(Cl)c(Cl)c2)C1 ZINC000826763985 660463941 /nfs/dbraw/zinc/46/39/41/660463941.db2.gz KYDWUNIUBODGBG-WMLDXEAASA-N 1 0 389.323 2.986 20 0 GFADRO C[C@]1(C(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)CC1(Br)Br ZINC000852882741 661876508 /nfs/dbraw/zinc/87/65/08/661876508.db2.gz PKECAYYFVHYEFH-GMXVVIOVSA-N 1 0 394.151 2.731 20 0 GFADRO CN(C)c1nc(Cl)c(C(=O)N2C[C@H](C[NH+](C)C)Oc3ccccc32)s1 ZINC000827095252 660478908 /nfs/dbraw/zinc/47/89/08/660478908.db2.gz CWPCMEDRMRTOQW-NSHDSACASA-N 1 0 380.901 2.832 20 0 GFADRO C[N@@H+]1CCCC[C@@H](CNC(=O)C[C@@H]2C(=O)Nc3ccc(Br)cc32)C1 ZINC000827199090 660483781 /nfs/dbraw/zinc/48/37/81/660483781.db2.gz BZYPMUAUHHXAGH-WFASDCNBSA-N 1 0 394.313 2.723 20 0 GFADRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)c2cc(Br)n(C)n2)CC1 ZINC000827203657 660484042 /nfs/dbraw/zinc/48/40/42/660484042.db2.gz WSTWTQGSEPFIDX-GFCCVEGCSA-N 1 0 392.301 2.533 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3csc(I)c3)CC[C@@H]21 ZINC000827319357 660489038 /nfs/dbraw/zinc/48/90/38/660489038.db2.gz NCQGMEMAWBSJKM-KOLCDFICSA-N 1 0 376.263 2.519 20 0 GFADRO COc1ncc(S(=O)(=O)NC2CCC([NH+]3CCCCC3)CC2)cc1Cl ZINC000827331808 660489652 /nfs/dbraw/zinc/48/96/52/660489652.db2.gz KVZXIZCNFMYPJM-UHFFFAOYSA-N 1 0 387.933 2.819 20 0 GFADRO C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000827340041 660490019 /nfs/dbraw/zinc/49/00/19/660490019.db2.gz XGUKQBCICYSVTP-SLEUVZQESA-N 1 0 384.307 2.664 20 0 GFADRO C[N@@H+]1CC[C@H]2CN(C(=O)Cc3noc4ccc(Br)cc43)CC[C@@H]21 ZINC000827245249 660485953 /nfs/dbraw/zinc/48/59/53/660485953.db2.gz JJYRKOUSWBKJLW-NHYWBVRUSA-N 1 0 378.270 2.685 20 0 GFADRO C[N@@H+]1CC[C@H]2CN(C(=O)c3ccc(I)cc3F)CC[C@H]21 ZINC000827245124 660485960 /nfs/dbraw/zinc/48/59/60/660485960.db2.gz IKNZLACTMCIEBE-IINYFYTJSA-N 1 0 388.224 2.597 20 0 GFADRO Cc1nc(Br)sc1C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000827495224 660499585 /nfs/dbraw/zinc/49/95/85/660499585.db2.gz UREPINCLKWDXRF-GFCCVEGCSA-N 1 0 388.331 2.587 20 0 GFADRO CC(C)(C)n1ncc(C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)c1Br ZINC000828450204 660548889 /nfs/dbraw/zinc/54/88/89/660548889.db2.gz RUYXEVLXNBQBBR-CYBMUJFWSA-N 1 0 383.334 2.959 20 0 GFADRO Cc1[nH]nc(NC(=O)[C@H]2CCC[N@H+](Cc3cccnc3)C2)c1Br ZINC000616009901 651889323 /nfs/dbraw/zinc/88/93/23/651889323.db2.gz DSAGDAXYKCLLSK-ZDUSSCGKSA-N 1 0 378.274 2.726 20 0 GFADRO C[NH+](C)Cc1ccc(C(=O)N[C@@H]2[C@H]3Cc4ccc(Br)cc4[C@@H]23)cn1 ZINC000828734873 660566958 /nfs/dbraw/zinc/56/69/58/660566958.db2.gz IGFZYCVEOJBTSR-RCCFBDPRSA-N 1 0 386.293 2.974 20 0 GFADRO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)c1cc2ccc(Br)cc2c(=O)o1 ZINC000828961353 660576841 /nfs/dbraw/zinc/57/68/41/660576841.db2.gz WDGVOFKKENGDMO-GJZGRUSLSA-N 1 0 391.265 2.864 20 0 GFADRO C[NH+](C)CCc1ccccc1NC(=O)c1c(Br)nc2n1CCC2 ZINC000829829574 660615993 /nfs/dbraw/zinc/61/59/93/660615993.db2.gz YSUGEQFSUBCHKY-UHFFFAOYSA-N 1 0 377.286 2.948 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)[C@]2(C)CC2(Br)Br)C[N@@H+]1C1CC1 ZINC000829863377 660617832 /nfs/dbraw/zinc/61/78/32/660617832.db2.gz MGKNBQZVZBNOPL-PTRXPTGYSA-N 1 0 380.124 2.624 20 0 GFADRO O=C(NCc1cc(Cl)cc(I)c1)[C@H](F)[C@H]1CC[NH2+]C1 ZINC000876931335 662868340 /nfs/dbraw/zinc/86/83/40/662868340.db2.gz LULNLDMFXNOSID-JOYOIKCWSA-N 1 0 396.631 2.508 20 0 GFADRO C[C@@H]1[C@H](NC(=O)c2cnn(Cc3ccccc3)c2Br)CC[N@@H+]1C ZINC000830110968 660635803 /nfs/dbraw/zinc/63/58/03/660635803.db2.gz KMSRWUAAMBRIGY-IUODEOHRSA-N 1 0 377.286 2.516 20 0 GFADRO O=C(CC[N@@H+]1CC[C@@H](CN2CCOC2=O)C1)Nc1cccc(Br)c1 ZINC000830120314 660636405 /nfs/dbraw/zinc/63/64/05/660636405.db2.gz RUKQILCAVCIVAW-CYBMUJFWSA-N 1 0 396.285 2.552 20 0 GFADRO CN(C)C(=O)O[C@H]1CC[N@H+](C[C@H](O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000830488117 660659085 /nfs/dbraw/zinc/65/90/85/660659085.db2.gz SDZZJXJSVFJLAK-AAEUAGOBSA-N 1 0 377.268 2.506 20 0 GFADRO CCOC(=O)c1nc(N[C@H]2CCC[N@H+](CCOC)C2)ccc1Br ZINC000603293300 652691851 /nfs/dbraw/zinc/69/18/51/652691851.db2.gz VLWRGQORKZNCQA-LBPRGKRZSA-N 1 0 386.290 2.544 20 0 GFADRO COc1cc(Br)ccc1CCC[N@@H+]1CC[C@@H]2COC(=O)N[C@H]2C1 ZINC000830915165 660686337 /nfs/dbraw/zinc/68/63/37/660686337.db2.gz AZTXDYLPNNSHCR-HIFRSBDPSA-N 1 0 383.286 2.821 20 0 GFADRO O=C(N[C@H]1CC12CC[NH2+]CC2)N1CCO[C@@H](c2ccccc2Br)C1 ZINC000831172769 660701309 /nfs/dbraw/zinc/70/13/09/660701309.db2.gz LZDXJVIBGHRDEI-CVEARBPZSA-N 1 0 394.313 2.674 20 0 GFADRO CS[C@@H]1CN(C(=O)c2ccc(C(F)(F)Br)nc2)C[C@H]1[NH+](C)C ZINC000831300968 660707802 /nfs/dbraw/zinc/70/78/02/660707802.db2.gz YIZZVWSKUNWEFK-GHMZBOCLSA-N 1 0 394.285 2.643 20 0 GFADRO CS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000831722220 660722333 /nfs/dbraw/zinc/72/23/33/660722333.db2.gz VFUYHMOZCWEGBD-KGLIPLIRSA-N 1 0 384.929 2.595 20 0 GFADRO CCO[C@@H](CNC(=O)Cc1c[nH]c2cccc(Br)c12)C[NH+](C)C ZINC000831737706 660723700 /nfs/dbraw/zinc/72/37/00/660723700.db2.gz KRSGOFZDQDVKFF-ZDUSSCGKSA-N 1 0 382.302 2.556 20 0 GFADRO CCO[C@H](CNC(=O)c1[nH]nc(-c2ccccc2)c1Br)C[NH+](C)C ZINC000831758562 660724864 /nfs/dbraw/zinc/72/48/64/660724864.db2.gz ZKFMAPPZPDZIJM-CYBMUJFWSA-N 1 0 395.301 2.536 20 0 GFADRO O=C(N[C@H](Cc1ccccn1)c1ccc(Br)cc1)[C@]1(F)CC[NH2+]C1 ZINC000831880843 660733538 /nfs/dbraw/zinc/73/35/38/660733538.db2.gz KLIWIQKJNPPSHO-AEFFLSMTSA-N 1 0 392.272 2.946 20 0 GFADRO CCS(=O)(=O)CCCCC[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C1(C)C ZINC000832649552 660791400 /nfs/dbraw/zinc/79/14/00/660791400.db2.gz IABVRUKRNTUOBR-HNNXBMFYSA-N 1 0 376.563 2.969 20 0 GFADRO CCN(CCC[NH+]1CCCC1)C(=O)c1csc(I)n1 ZINC000832836458 660802834 /nfs/dbraw/zinc/80/28/34/660802834.db2.gz OZEXNVGFPFZVFP-UHFFFAOYSA-N 1 0 393.294 2.696 20 0 GFADRO C[NH+](C)[C@@H]1CCCN(C(=O)[C@@]2(C)CC2(Br)Br)CC1 ZINC000834437141 660819835 /nfs/dbraw/zinc/81/98/35/660819835.db2.gz ZALKIWXIKKCZGC-ZYHUDNBSSA-N 1 0 382.140 2.825 20 0 GFADRO C[C@H](CC[NH3+])NC(=O)c1cnn(-c2ncccc2Cl)c1C(F)(F)Cl ZINC000834453930 660820935 /nfs/dbraw/zinc/82/09/35/660820935.db2.gz YCULUQDJOYSHQL-MRVPVSSYSA-N 1 0 378.210 2.676 20 0 GFADRO CCCNC(=O)CN1CCC([NH2+][C@@H](C)c2nc(Br)cs2)CC1 ZINC000834507683 660822664 /nfs/dbraw/zinc/82/26/64/660822664.db2.gz BSRBXVWDVMCDFY-NSHDSACASA-N 1 0 389.363 2.547 20 0 GFADRO C[C@H]([NH2+]C[C@@]1(N2CCOCC2)CCSC1)c1nc(Br)cs1 ZINC000834534037 660823637 /nfs/dbraw/zinc/82/36/37/660823637.db2.gz DGCXYEXFAUIWCX-FZMZJTMJSA-N 1 0 392.388 2.764 20 0 GFADRO C[N@H+](CC(=O)N1CCC(Cc2nc3c(s2)CCC3)CC1)[C@@H]1CCSC1 ZINC000834548774 660824289 /nfs/dbraw/zinc/82/42/89/660824289.db2.gz XSMURVYJSQEREH-OAHLLOKOSA-N 1 0 379.595 2.850 20 0 GFADRO C[C@H]([NH2+]C1CCN(S(=O)(=O)C2CC2)CC1)c1nc(Br)cs1 ZINC000834676169 660829444 /nfs/dbraw/zinc/82/94/44/660829444.db2.gz PMQPXRNAXNSOHW-VIFPVBQESA-N 1 0 394.360 2.513 20 0 GFADRO C[C@]1(CCNC(=O)NCC2([NH+]3CCCC3)CCOCC2)CC1(Cl)Cl ZINC000836317549 660899552 /nfs/dbraw/zinc/89/95/52/660899552.db2.gz ZUTXTPOIVCRIAZ-HNNXBMFYSA-N 1 0 378.344 2.905 20 0 GFADRO O=C(NC[C@H](O)c1ccccc1Br)NCC1CC[NH+](C2CC2)CC1 ZINC000836428343 660905030 /nfs/dbraw/zinc/90/50/30/660905030.db2.gz KGFMKODOCPEZLH-KRWDZBQOSA-N 1 0 396.329 2.656 20 0 GFADRO C[C@]1(CCNC(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)CC1(Cl)Cl ZINC000836619417 660921387 /nfs/dbraw/zinc/92/13/87/660921387.db2.gz KCWLXTOFQPQRIP-DZKIICNBSA-N 1 0 378.344 2.637 20 0 GFADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NCC[C@@]1(C)CC1(Cl)Cl ZINC000836624891 660922619 /nfs/dbraw/zinc/92/26/19/660922619.db2.gz SUMBNKIBJADCRP-BBRMVZONSA-N 1 0 378.344 2.855 20 0 GFADRO Cc1cc(Br)nc(NC(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000836765904 660941417 /nfs/dbraw/zinc/94/14/17/660941417.db2.gz GVVKYBUHFWVSBP-CQSZACIVSA-N 1 0 397.317 2.729 20 0 GFADRO CCCC[N@H+](CC)CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000027272461 654563495 /nfs/dbraw/zinc/56/34/95/654563495.db2.gz LWLZLAOUKMBVES-UHFFFAOYSA-N 1 0 375.922 2.651 20 0 GFADRO CCS(=O)(=O)c1ccc(Cl)c(C(=O)NC2CC[NH+](C3CCC3)CC2)c1 ZINC000837042822 660967662 /nfs/dbraw/zinc/96/76/62/660967662.db2.gz HRTZARWXMNKTQI-UHFFFAOYSA-N 1 0 384.929 2.880 20 0 GFADRO Cc1ccc(C)c(C[NH2+]Cc2ccc(S(=O)(=O)N3CCOCC3)s2)c1 ZINC000030906206 654590366 /nfs/dbraw/zinc/59/03/66/654590366.db2.gz AIPZHXOEJYRGON-UHFFFAOYSA-N 1 0 380.535 2.676 20 0 GFADRO C[C@@H](CNS(=O)(=O)c1ccc(Br)cc1)[N@@H+]1CCCC[C@H]1C ZINC000032440954 654603105 /nfs/dbraw/zinc/60/31/05/654603105.db2.gz BCDKDRCLPHJBLJ-OLZOCXBDSA-N 1 0 375.332 2.990 20 0 GFADRO COc1cccc(S(=O)(=O)NCC2CC[NH+](Cc3cccs3)CC2)c1 ZINC000038584831 654617547 /nfs/dbraw/zinc/61/75/47/654617547.db2.gz HQKAGGIWNPRJMU-UHFFFAOYSA-N 1 0 380.535 2.947 20 0 GFADRO COc1ccc(C(=O)NCC[NH+]2CCCCC2)cc1I ZINC000038896655 654618251 /nfs/dbraw/zinc/61/82/51/654618251.db2.gz QUOQNNPCNAWKNE-UHFFFAOYSA-N 1 0 388.249 2.516 20 0 GFADRO Cc1ccc(Br)cc1S(=O)(=O)NC[C@H](C)[NH+]1CCCCC1 ZINC000040446503 654621261 /nfs/dbraw/zinc/62/12/61/654621261.db2.gz GWKAVXOJQXDFIW-ZDUSSCGKSA-N 1 0 375.332 2.910 20 0 GFADRO CC(C)[NH+](CCNS(=O)(=O)c1cc(Br)cnc1Cl)C(C)C ZINC000041066319 654622085 /nfs/dbraw/zinc/62/20/85/654622085.db2.gz BBSPENRAFGIYEO-UHFFFAOYSA-N 1 0 398.754 2.895 20 0 GFADRO CN(C(=O)c1cc(Br)n(C)n1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000837184439 660975974 /nfs/dbraw/zinc/97/59/74/660975974.db2.gz WXLSYCVBTQBKSI-UHFFFAOYSA-N 1 0 397.239 2.671 20 0 GFADRO C[NH+]1CCN(C(C)(C)CNC(=S)Nc2cccc(Br)c2)CC1 ZINC000042668378 654642041 /nfs/dbraw/zinc/64/20/41/654642041.db2.gz ABQWHEQOLPIILZ-UHFFFAOYSA-N 1 0 385.375 2.762 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CNC(=S)NCC(=O)Nc1cc(Cl)ccc1Cl ZINC000043563386 654649964 /nfs/dbraw/zinc/64/99/64/654649964.db2.gz KZMKQUNXLZVADZ-GFCCVEGCSA-N 1 0 389.352 2.880 20 0 GFADRO CC(C)[NH+]1CCN(C(=O)CCNC(=O)Nc2ccc(Br)cc2)CC1 ZINC000044486438 654658527 /nfs/dbraw/zinc/65/85/27/654658527.db2.gz NBBLYJZPSMSZCW-UHFFFAOYSA-N 1 0 397.317 2.513 20 0 GFADRO CC(C)C(=O)Nc1nc(CC(=O)NC[C@@H](c2ccsc2)[NH+](C)C)cs1 ZINC000044487052 654658771 /nfs/dbraw/zinc/65/87/71/654658771.db2.gz JESZLTCUZRNYHC-AWEZNQCLSA-N 1 0 380.539 2.761 20 0 GFADRO COCC[N@H+](C)CCCNC(=O)[C@@H](C)Oc1ccc(C)cc1Br ZINC000044521461 654659052 /nfs/dbraw/zinc/65/90/52/654659052.db2.gz RNVLYEIGJWCBBW-CQSZACIVSA-N 1 0 387.318 2.609 20 0 GFADRO CC(C)C[N@H+](CN1C(=O)C(=O)N(c2ccc(Br)cc2)C1=O)C1CC1 ZINC000045722182 654671189 /nfs/dbraw/zinc/67/11/89/654671189.db2.gz RWXPMXUTWKZKOI-UHFFFAOYSA-N 1 0 394.269 2.822 20 0 GFADRO O=C(c1cc(F)cc(Br)c1)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000046744967 654684638 /nfs/dbraw/zinc/68/46/38/654684638.db2.gz SLGRXDSXZTYAPQ-INIZCTEOSA-N 1 0 385.277 2.915 20 0 GFADRO COc1cc(C(=O)NCC[NH+]2CCC(C)CC2)cc(OC)c1Br ZINC000046957276 654688243 /nfs/dbraw/zinc/68/82/43/654688243.db2.gz NERDWUCBJGZSIX-UHFFFAOYSA-N 1 0 385.302 2.928 20 0 GFADRO O=C(Nc1cc2c(cc1Br)OCCO2)N1CC[NH+](CC2CC2)CC1 ZINC000047365655 654693729 /nfs/dbraw/zinc/69/37/29/654693729.db2.gz QYCSHPGBOPXPDZ-UHFFFAOYSA-N 1 0 396.285 2.780 20 0 GFADRO CNC(=O)C[NH2+]Cc1ccc(OCc2ccc(Br)cc2)c(OC)c1 ZINC000047688486 654699161 /nfs/dbraw/zinc/69/91/61/654699161.db2.gz FCRBWVSJAXBGPE-UHFFFAOYSA-N 1 0 393.281 2.872 20 0 GFADRO CC(C)C[C@H](CN1C(=O)c2cc(Br)ccc2S1(=O)=O)[NH+](C)C ZINC000047880142 654701663 /nfs/dbraw/zinc/70/16/63/654701663.db2.gz YKRODJKPNBYQMX-GFCCVEGCSA-N 1 0 389.315 2.570 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000048773280 654712964 /nfs/dbraw/zinc/71/29/64/654712964.db2.gz BXKIDPIFKNEEFE-UHFFFAOYSA-N 1 0 382.302 2.685 20 0 GFADRO C[C@H](CCNC(=O)c1c(Br)nc2n1CCCC2)[NH+]1CCCCC1 ZINC000837530626 661003853 /nfs/dbraw/zinc/00/38/53/661003853.db2.gz ZBTIIVCTYFIIKI-CYBMUJFWSA-N 1 0 383.334 2.976 20 0 GFADRO Cc1sc(C(=O)N(CC(C)C)C2CC[NH+](C)CC2)cc1CS(C)(=O)=O ZINC000122017265 654728413 /nfs/dbraw/zinc/72/84/13/654728413.db2.gz YDBGRLJBZSVYCG-UHFFFAOYSA-N 1 0 386.583 2.794 20 0 GFADRO O=C(NC[C@@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1)[C@@H]1CCC[NH2+]1 ZINC000122025333 654728612 /nfs/dbraw/zinc/72/86/12/654728612.db2.gz ZFMQGKRBMCXNHB-LRDDRELGSA-N 1 0 384.307 2.714 20 0 GFADRO C[C@@H]1C[N@@H+](CCCNC(=O)Nc2nnc(-c3ccsc3)s2)C[C@H](C)O1 ZINC000052496621 654736013 /nfs/dbraw/zinc/73/60/13/654736013.db2.gz FNNTWUPDZSKDKH-TXEJJXNPSA-N 1 0 381.527 2.887 20 0 GFADRO C[C@H](NC(=O)N[C@H]1CCC[N@H+](C)C1)c1cc2c(cc1Br)OCCO2 ZINC000052554395 654736731 /nfs/dbraw/zinc/73/67/31/654736731.db2.gz UULVOIVUUCTXFT-RYUDHWBXSA-N 1 0 398.301 2.675 20 0 GFADRO C[C@@H]1CC[N@H+](CC(=O)Nc2ccc(Cl)c(S(=O)(=O)N(C)C)c2)C[C@@H]1C ZINC000122990461 654749484 /nfs/dbraw/zinc/74/94/84/654749484.db2.gz HAWQCFVTRZPHTR-OLZOCXBDSA-N 1 0 387.933 2.507 20 0 GFADRO CN1CC[NH+](CCCCNC(=O)c2ccc(Cl)cc2Br)CC1 ZINC000123037666 654750995 /nfs/dbraw/zinc/75/09/95/654750995.db2.gz PUVIQTDPWAMLRJ-UHFFFAOYSA-N 1 0 388.737 2.860 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CNC(=O)c1nnn(-c2cccc(Br)c2)c1C ZINC000054915402 654764934 /nfs/dbraw/zinc/76/49/34/654764934.db2.gz MABMMMHAQHHKCT-HNNXBMFYSA-N 1 0 392.301 2.552 20 0 GFADRO CCC(=O)N[C@H]1CCC[N@H+](CCC(=O)Nc2cccc(Br)c2)C1 ZINC000124264096 654773134 /nfs/dbraw/zinc/77/31/34/654773134.db2.gz RBLDHZFJSWZIDX-HNNXBMFYSA-N 1 0 382.302 2.768 20 0 GFADRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)CNC(=O)c1ccc(Cl)cc1Cl ZINC000055406511 654774266 /nfs/dbraw/zinc/77/42/66/654774266.db2.gz OUNZPSWMSJQJFW-CHWSQXEVSA-N 1 0 386.323 2.960 20 0 GFADRO C[NH+](C)[C@H](CNS(=O)(=O)c1ccc(CCCl)cc1)Cc1ccccc1 ZINC000055970904 654785879 /nfs/dbraw/zinc/78/58/79/654785879.db2.gz RLDAQKJZVGKVDR-SFHVURJKSA-N 1 0 380.941 2.919 20 0 GFADRO C[C@@H](CNC(=O)Cn1c(=S)[nH]nc1-c1cccs1)[N@@H+]1CCC[C@H](C)C1 ZINC000125077146 654787541 /nfs/dbraw/zinc/78/75/41/654787541.db2.gz KFZYSCVOCMMSKY-STQMWFEESA-N 1 0 379.555 2.906 20 0 GFADRO CCCN(C1CC[NH2+]CC1)S(=O)(=O)c1cc(F)ccc1Br ZINC000125100641 654787659 /nfs/dbraw/zinc/78/76/59/654787659.db2.gz ZOJYTDOMDAPXMS-UHFFFAOYSA-N 1 0 379.295 2.741 20 0 GFADRO C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+]C[C@@]1(CCO)CCOC1 ZINC000125464075 654795455 /nfs/dbraw/zinc/79/54/55/654795455.db2.gz QAEYNLBMUAGUPN-SUMWQHHRSA-N 1 0 385.302 2.545 20 0 GFADRO CN1CC[NH+](CC2CCN(C(=O)c3sccc3Br)CC2)CC1 ZINC000057066262 654799271 /nfs/dbraw/zinc/79/92/71/654799271.db2.gz XHWRNEUVJYYYOW-UHFFFAOYSA-N 1 0 386.359 2.610 20 0 GFADRO C[C@H](CNC(=O)c1cnn(-c2ccc(Br)cc2)c1)[N@H+](C)C1CC1 ZINC000057707263 654808826 /nfs/dbraw/zinc/80/88/26/654808826.db2.gz PFFDKPJBIKGWOL-GFCCVEGCSA-N 1 0 377.286 2.847 20 0 GFADRO CCC(=O)N1CC[C@H]([NH2+][C@@H](C)CC(=O)Nc2cccc(Br)c2)C1 ZINC000126366458 654813299 /nfs/dbraw/zinc/81/32/99/654813299.db2.gz CQFLFUCJXWZFJD-WFASDCNBSA-N 1 0 382.302 2.767 20 0 GFADRO CC[N@@H+]1CC[C@@H](CNC(=O)c2cc(-c3ccc(Br)cc3)n[nH]2)C1 ZINC000058925500 654824156 /nfs/dbraw/zinc/82/41/56/654824156.db2.gz UBPOVMJYPATDGJ-LBPRGKRZSA-N 1 0 377.286 2.911 20 0 GFADRO O=C(CCN1C(=S)N=NC1c1cccs1)NCC[NH+]1CCCCCC1 ZINC000059403125 654825754 /nfs/dbraw/zinc/82/57/54/654825754.db2.gz IBYICWNKZJCHQZ-UHFFFAOYSA-N 1 0 379.555 2.678 20 0 GFADRO CCc1ncsc1NC(=O)C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000127518567 654831127 /nfs/dbraw/zinc/83/11/27/654831127.db2.gz DLXQZRKJWSQRPH-ZDUSSCGKSA-N 1 0 378.523 2.659 20 0 GFADRO Cc1ccc(O[C@H](C)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)c(Br)c1 ZINC000061649197 654841546 /nfs/dbraw/zinc/84/15/46/654841546.db2.gz WOJOHJOUWDBULO-QLFBSQMISA-N 1 0 397.313 2.504 20 0 GFADRO C[N@@H+](Cc1cccc(OC(F)(F)F)c1)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000128231992 654842654 /nfs/dbraw/zinc/84/26/54/654842654.db2.gz IZXWVGQNKUKNTO-AWEZNQCLSA-N 1 0 380.432 2.689 20 0 GFADRO C[C@H](CNC(=O)C(=O)Nc1cccc(Br)c1)[N@@H+]1CCCC[C@@H]1C ZINC000062120289 654843779 /nfs/dbraw/zinc/84/37/79/654843779.db2.gz IGSOQCOTBVIIQB-QWHCGFSZSA-N 1 0 382.302 2.767 20 0 GFADRO COCCNS(=O)(=O)c1ccc(C[NH2+]Cc2ccc(Cl)c(F)c2)cc1 ZINC000062253629 654844427 /nfs/dbraw/zinc/84/44/27/654844427.db2.gz NCAHXRNRTSSDIT-UHFFFAOYSA-N 1 0 386.876 2.694 20 0 GFADRO CCOc1ccc(S(=O)(=O)N(C)C2CC[NH+](C)CC2)cc1Br ZINC000128658898 654850335 /nfs/dbraw/zinc/85/03/35/654850335.db2.gz ICVBGXUPXRUSQE-UHFFFAOYSA-N 1 0 391.331 2.563 20 0 GFADRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3ccccc3I)CC[C@@H]21 ZINC000129128996 654857681 /nfs/dbraw/zinc/85/76/81/654857681.db2.gz NFWUTWRGZACUEO-WFASDCNBSA-N 1 0 384.261 2.848 20 0 GFADRO CC(C)[N@@H+]1CC[C@H](CNC(=O)/C=C/c2ccc(I)o2)C1 ZINC000063835866 654858789 /nfs/dbraw/zinc/85/87/89/654858789.db2.gz WHFLDSKYKQIVLL-FVOPLDGLSA-N 1 0 388.249 2.744 20 0 GFADRO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NCc1csc(Br)c1 ZINC000266478861 654881076 /nfs/dbraw/zinc/88/10/76/654881076.db2.gz BZZBAUBQYHNYIC-AWEZNQCLSA-N 1 0 375.332 2.920 20 0 GFADRO C[C@@H](CNC(=O)C(=O)Nc1ccccc1Br)[NH+]1CCC(C)CC1 ZINC000065601986 654881835 /nfs/dbraw/zinc/88/18/35/654881835.db2.gz NYEIJTGBAJDVEB-ZDUSSCGKSA-N 1 0 382.302 2.624 20 0 GFADRO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)N(CCO)Cc1ccc(Cl)c(Cl)c1 ZINC000130207815 654883938 /nfs/dbraw/zinc/88/39/38/654883938.db2.gz VRHFJHDZKUMXRW-CQSZACIVSA-N 1 0 386.323 2.982 20 0 GFADRO C[C@@H](CNC(=O)N1CC[C@@H](C[NH+](C)C)C1)Oc1ccccc1Br ZINC000130254562 654886155 /nfs/dbraw/zinc/88/61/55/654886155.db2.gz DPJKRSDNBCHHRH-KBPBESRZSA-N 1 0 384.318 2.810 20 0 GFADRO CC[C@H](Cc1cccc(Br)c1)C(=O)NCC1(O)CC[NH+](C)CC1 ZINC000266694220 654890005 /nfs/dbraw/zinc/89/00/05/654890005.db2.gz DELJYWZRBOMLRY-OAHLLOKOSA-N 1 0 383.330 2.591 20 0 GFADRO CC[C@H](NC(=O)N(CCOC)CC[NH+](C)C)c1nc(C(F)(F)F)cs1 ZINC000266785154 654893658 /nfs/dbraw/zinc/89/36/58/654893658.db2.gz YPRPAJSYPDQDQQ-NSHDSACASA-N 1 0 382.452 2.833 20 0 GFADRO CC[NH+]1CCN([C@@H](C)CNC(=O)[C@@H](C)Oc2cc(Cl)cc(Cl)c2)CC1 ZINC000066147274 654895613 /nfs/dbraw/zinc/89/56/13/654895613.db2.gz ATJLIBDDBISGHY-UONOGXRCSA-N 1 0 388.339 2.903 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000066223519 654896917 /nfs/dbraw/zinc/89/69/17/654896917.db2.gz ZIPPLPIYKMOCMK-OAHLLOKOSA-N 1 0 394.313 2.701 20 0 GFADRO CC[NH+]1CCC(CNC(=O)C[C@H]2Sc3ccc(Cl)cc3NC2=O)CC1 ZINC000066454248 654902409 /nfs/dbraw/zinc/90/24/09/654902409.db2.gz VUVAJEHLTQLGTA-MRXNPFEDSA-N 1 0 381.929 2.991 20 0 GFADRO O=C(c1cc(Br)ncc1Br)N1CC[C@H]([NH+]2CCC2)C1 ZINC000912900498 664309407 /nfs/dbraw/zinc/30/94/07/664309407.db2.gz LOEQBCLQYVTTSV-VIFPVBQESA-N 1 0 389.091 2.527 20 0 GFADRO CC(=O)Nc1ccc(S(=O)(=O)NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)cc1Cl ZINC000267191487 654916250 /nfs/dbraw/zinc/91/62/50/654916250.db2.gz LKHAHRBDSPCXBK-QWHCGFSZSA-N 1 0 387.933 2.697 20 0 GFADRO Cc1c(C(=O)NC2CCC([NH3+])CC2)cnn1-c1ccc(Br)cc1 ZINC000131788492 654918451 /nfs/dbraw/zinc/91/84/51/654918451.db2.gz KGCDSTINENXBKG-UHFFFAOYSA-N 1 0 377.286 2.943 20 0 GFADRO Cc1ccc(Br)c(NC(=O)C(=O)NC[C@H](C)[NH+]2CCC(C)CC2)c1 ZINC000131851585 654919146 /nfs/dbraw/zinc/91/91/46/654919146.db2.gz WEHDYMOSHRKNIY-AWEZNQCLSA-N 1 0 396.329 2.933 20 0 GFADRO [NH3+]C1CCC(NC(=O)[C@H]2CCCN2C(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000131885294 654920688 /nfs/dbraw/zinc/92/06/88/654920688.db2.gz JRPBAGAKKZUUGN-SEEARECTSA-N 1 0 384.307 2.984 20 0 GFADRO COCC[N@H+]1[C@H](C)CN(c2ncnc3ccc(Br)cc32)C[C@@H]1C ZINC000131970284 654923509 /nfs/dbraw/zinc/92/35/09/654923509.db2.gz YMBNEFYAYZVKMQ-BETUJISGSA-N 1 0 379.302 2.938 20 0 GFADRO Cc1csc([C@](O)(CC(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)C(F)(F)F)n1 ZINC000267314471 654923531 /nfs/dbraw/zinc/92/35/31/654923531.db2.gz UKYDDCJSDWENBI-LALPHHSUSA-N 1 0 379.448 2.581 20 0 GFADRO NC(=O)c1csc(C[NH2+]CCCNC(=O)c2ccc(Br)cc2)c1 ZINC000131998962 654924425 /nfs/dbraw/zinc/92/44/25/654924425.db2.gz KAYRICLLKAFXAN-UHFFFAOYSA-N 1 0 396.310 2.519 20 0 GFADRO COCC[N@@H+]1CCC[C@H]1CNS(=O)(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000067118720 654930365 /nfs/dbraw/zinc/93/03/65/654930365.db2.gz NCVOQBRININYOV-ZDUSSCGKSA-N 1 0 381.325 2.524 20 0 GFADRO Brc1cnc(NCCC[NH+]2CCN(c3ccccc3)CC2)nc1 ZINC000067350186 654935975 /nfs/dbraw/zinc/93/59/75/654935975.db2.gz LEXQMHUGVRGAKK-UHFFFAOYSA-N 1 0 376.302 2.863 20 0 GFADRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)Nc1ccccc1Br ZINC000067398255 654937718 /nfs/dbraw/zinc/93/77/18/654937718.db2.gz QNOOTKZBMXMTOL-CHWSQXEVSA-N 1 0 382.302 2.624 20 0 GFADRO COc1cc(Br)c(CN2CCC3(CNC(=O)C3)CC2)cc1OC ZINC000267620931 654938382 /nfs/dbraw/zinc/93/83/82/654938382.db2.gz DMGBKOZVQMUHTF-UHFFFAOYSA-N 1 0 383.286 2.568 20 0 GFADRO C#CCOc1ccc(Br)cc1C[NH2+]Cc1ccc(-n2cncn2)nc1 ZINC000067669568 654942787 /nfs/dbraw/zinc/94/27/87/654942787.db2.gz LGQLCSWVFMESIR-UHFFFAOYSA-N 1 0 398.264 2.727 20 0 GFADRO C[C@H](CNC(=O)CNC(=O)c1ccc(Cl)c(Cl)c1)C[NH+]1CCCCC1 ZINC000068115453 654955179 /nfs/dbraw/zinc/95/51/79/654955179.db2.gz IZFVPIQTQWPPCF-CYBMUJFWSA-N 1 0 386.323 2.961 20 0 GFADRO Cc1sc(C(=O)N2CCC(CCC[NH+](C)C)CC2)cc1CS(C)(=O)=O ZINC000133237821 654957546 /nfs/dbraw/zinc/95/75/46/654957546.db2.gz BQUUZTWDGYTYRV-UHFFFAOYSA-N 1 0 386.583 2.795 20 0 GFADRO O=C(NCCC[NH+]1CCCC1)[C@@]12CCC(=O)N1c1cc(Cl)ccc1S2 ZINC000068376918 654961012 /nfs/dbraw/zinc/96/10/12/654961012.db2.gz XWAJMCKAXMZVSN-SFHVURJKSA-N 1 0 379.913 2.871 20 0 GFADRO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)c1[nH]nc(C2CC2)c1Br ZINC000068437456 654962283 /nfs/dbraw/zinc/96/22/83/654962283.db2.gz IRVCTICBFVWTSG-AWEZNQCLSA-N 1 0 391.313 2.952 20 0 GFADRO Cc1cc(NC(=O)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)ccc1Br ZINC000133543675 654966846 /nfs/dbraw/zinc/96/68/46/654966846.db2.gz WLPMGCWSOAFBTK-LBPRGKRZSA-N 1 0 384.318 2.789 20 0 GFADRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)c1c(F)cccc1I ZINC000268344943 654967670 /nfs/dbraw/zinc/96/76/70/654967670.db2.gz IFKTWJPLZGHYFA-QWHCGFSZSA-N 1 0 388.224 2.787 20 0 GFADRO CC[C@H](Cc1ccccc1Br)NC(=O)NCC1(O)CC[NH+](C)CC1 ZINC000268354619 654968235 /nfs/dbraw/zinc/96/82/35/654968235.db2.gz AULAYQHEDIPXGE-OAHLLOKOSA-N 1 0 398.345 2.526 20 0 GFADRO CC(C)[NH+]1CCC(O)(CNC(=O)Cc2csc(-c3cccs3)n2)CC1 ZINC000268418817 654970529 /nfs/dbraw/zinc/97/05/29/654970529.db2.gz ALXQTDOTTHSFHE-UHFFFAOYSA-N 1 0 379.551 2.766 20 0 GFADRO COc1ccc(C(=O)NC[C@H](C)[N@H+](C)C2CC2)c(I)c1 ZINC000268427509 654970947 /nfs/dbraw/zinc/97/09/47/654970947.db2.gz ZKNZKDMYRWARIM-JTQLQIEISA-N 1 0 388.249 2.512 20 0 GFADRO CC(C)[NH+]1CCC(O)(CNC(=O)/C=C/c2cc(Br)cs2)CC1 ZINC000268464274 654972985 /nfs/dbraw/zinc/97/29/85/654972985.db2.gz LDSFSCUDNBOZNO-ONEGZZNKSA-N 1 0 387.343 2.875 20 0 GFADRO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@H](C)[C@@H](C)N1CCOCC1 ZINC000133977254 654979330 /nfs/dbraw/zinc/97/93/30/654979330.db2.gz BKPOVFZADINCJP-RBSFLKMASA-N 1 0 398.345 2.865 20 0 GFADRO CC[C@@](C)(CC(=O)OC)[NH2+]CCS(=O)(=O)c1ccc(Br)cc1 ZINC000134113251 654983315 /nfs/dbraw/zinc/98/33/15/654983315.db2.gz GZTQFEWYPSLLLQ-HNNXBMFYSA-N 1 0 392.315 2.544 20 0 GFADRO COc1ccc(Br)c(C(=O)NCCCNC(=[NH2+])NC2CCCC2)c1 ZINC000069672870 654985033 /nfs/dbraw/zinc/98/50/33/654985033.db2.gz UAQGHUMIBHHJQF-UHFFFAOYSA-N 1 0 397.317 2.634 20 0 GFADRO CC[C@H](Cc1ccccc1Br)C(=O)NC[C@H](C)N1CC[NH+](C)CC1 ZINC000134243197 654988054 /nfs/dbraw/zinc/98/80/54/654988054.db2.gz UWTBVHDCWDZUDF-JKSUJKDBSA-N 1 0 396.373 2.770 20 0 GFADRO C[C@@H]([NH2+]C1CCN(CC(=O)N(C)C)CC1)c1cc(Br)ccc1F ZINC000268913633 654990672 /nfs/dbraw/zinc/99/06/72/654990672.db2.gz NIKMLQFDOHOQAL-GFCCVEGCSA-N 1 0 386.309 2.791 20 0 GFADRO O=C(NCC1([NH+]2CCSCC2)CCCC1)c1cccnc1Br ZINC000134537997 654995701 /nfs/dbraw/zinc/99/57/01/654995701.db2.gz IWPGXMHRMLYSGP-UHFFFAOYSA-N 1 0 384.343 2.936 20 0 GFADRO CCC(=O)N1CC[C@H]([NH2+]Cc2nc(-c3ccc(Br)cc3)c[nH]2)C1 ZINC000134542377 654996006 /nfs/dbraw/zinc/99/60/06/654996006.db2.gz CHNVHZJHEOFZIW-AWEZNQCLSA-N 1 0 377.286 2.940 20 0 GFADRO C[C@H]([NH3+])C1CCN(C(=O)c2cc(F)ccc2I)CC1 ZINC000269157302 654999994 /nfs/dbraw/zinc/99/99/94/654999994.db2.gz YCXLLFGEILCJJF-VIFPVBQESA-N 1 0 376.213 2.630 20 0 GFADRO O=C(Nc1cccc(Br)c1)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000269177017 655000689 /nfs/dbraw/zinc/00/06/89/655000689.db2.gz ISVHVZATMKQSGA-CVEARBPZSA-N 1 0 382.302 2.948 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H](C(=O)NCc2nnc3c(Cl)cc(C(F)(F)F)cn23)C1 ZINC000269215599 655001768 /nfs/dbraw/zinc/00/17/68/655001768.db2.gz VAQZFARTWGOMPY-PSASIEDQSA-N 1 0 375.782 2.535 20 0 GFADRO COC(=O)CSCCC(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000072086190 655003555 /nfs/dbraw/zinc/00/35/55/655003555.db2.gz XVGTVXVAYANJSI-INIZCTEOSA-N 1 0 384.929 2.889 20 0 GFADRO CC(C)[C@@H]([NH3+])CNC(=O)CCc1nc(-c2cc(Br)cs2)no1 ZINC000269283354 655004039 /nfs/dbraw/zinc/00/40/39/655004039.db2.gz RMFIXFTVHLPJPS-JTQLQIEISA-N 1 0 387.303 2.593 20 0 GFADRO CC[C@H](C)[C@@H](NC(=O)C[N@H+](C)CCc1ccc(Br)cc1)C(=O)OC ZINC000078611018 655004997 /nfs/dbraw/zinc/00/49/97/655004997.db2.gz AFLBNBJVAAIBLQ-SUMWQHHRSA-N 1 0 399.329 2.627 20 0 GFADRO CCc1c(C(=O)N2CC([NH+](C)C)C2)cnn1-c1ccc(Br)cc1 ZINC000134931964 655006460 /nfs/dbraw/zinc/00/64/60/655006460.db2.gz AGLDQQSSMRCVMN-UHFFFAOYSA-N 1 0 377.286 2.583 20 0 GFADRO C[NH+](C)[C@H]1CCN(c2ccc(NC(=O)c3coc(Br)c3)nc2)C1 ZINC000269442385 655009463 /nfs/dbraw/zinc/00/94/63/655009463.db2.gz QWBODBFLXPRSER-ZDUSSCGKSA-N 1 0 379.258 2.830 20 0 GFADRO C[NH+](C)[C@@H]1CCN(c2ccc(NC(=O)c3coc(Br)c3)nc2)C1 ZINC000269442384 655009513 /nfs/dbraw/zinc/00/95/13/655009513.db2.gz QWBODBFLXPRSER-CYBMUJFWSA-N 1 0 379.258 2.830 20 0 GFADRO C[C@]1(CCNC(=O)N2CC[NH+](CC3CCOCC3)CC2)CC1(Cl)Cl ZINC000838685665 661054395 /nfs/dbraw/zinc/05/43/95/661054395.db2.gz HVUWTNJCGUZAIV-INIZCTEOSA-N 1 0 378.344 2.714 20 0 GFADRO Cc1nn(C)cc1C[NH+]1CCC(C(=O)Nc2ccc(Br)cn2)CC1 ZINC000091842766 655010583 /nfs/dbraw/zinc/01/05/83/655010583.db2.gz DDTDRRDMPWDRQP-UHFFFAOYSA-N 1 0 392.301 2.737 20 0 GFADRO OCC1([NH2+]Cc2ccnc(-c3ccc(Br)cc3)n2)CCOCC1 ZINC000269628112 655015449 /nfs/dbraw/zinc/01/54/49/655015449.db2.gz DIQVROUIYRPTIV-UHFFFAOYSA-N 1 0 378.270 2.537 20 0 GFADRO CCCC[N@H+](CCC(=O)NCc1ccccc1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000269649035 655015868 /nfs/dbraw/zinc/01/58/68/655015868.db2.gz PYKFHFHSBOVKHU-INIZCTEOSA-N 1 0 386.945 2.636 20 0 GFADRO O=S(=O)(C(F)F)N1CCC(C[NH2+][C@@H]2CCc3c2c(F)ccc3F)CC1 ZINC000269798804 655022401 /nfs/dbraw/zinc/02/24/01/655022401.db2.gz CNPQEAJOWBKDDX-CQSZACIVSA-N 1 0 380.407 2.806 20 0 GFADRO O[C@H](C[NH+]1CCC(Oc2ccccc2I)CC1)C1CC1 ZINC000838865134 661060203 /nfs/dbraw/zinc/06/02/03/661060203.db2.gz FNFXBTABLKMWAE-OAHLLOKOSA-N 1 0 387.261 2.905 20 0 GFADRO O=C([C@H]1CCn2cncc2C1)N1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000135996986 655026212 /nfs/dbraw/zinc/02/62/12/655026212.db2.gz SCANARKJTLTVEF-YOEHRIQHSA-N 1 0 390.281 2.808 20 0 GFADRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cnn2cc(Br)cnc12 ZINC000094077046 655026944 /nfs/dbraw/zinc/02/69/44/655026944.db2.gz FQEBZINSHPQFSL-CQSZACIVSA-N 1 0 394.317 2.876 20 0 GFADRO CC(C)CN(C(=O)c1cnn2cc(Br)cnc12)C1CC[NH+](C)CC1 ZINC000094135294 655028035 /nfs/dbraw/zinc/02/80/35/655028035.db2.gz MYYMSTBROLPQCP-UHFFFAOYSA-N 1 0 394.317 2.684 20 0 GFADRO C[NH+](C)C1(CNC(=O)C(=O)Nc2cncc(Br)c2)CCCCCC1 ZINC000270186154 655036674 /nfs/dbraw/zinc/03/66/74/655036674.db2.gz MSYIKFQIUPPRAA-UHFFFAOYSA-N 1 0 397.317 2.553 20 0 GFADRO COCC(=O)N1CCC([NH2+]Cc2ccc(Cl)c(Br)c2)CC1 ZINC000137080242 655037846 /nfs/dbraw/zinc/03/78/46/655037846.db2.gz HCFZLMRDDKUEHN-UHFFFAOYSA-N 1 0 375.694 2.830 20 0 GFADRO Cc1cc(S(=O)(=O)N(C)CC2([NH+](C)C)CCC2)ccc1Br ZINC000097935691 655038247 /nfs/dbraw/zinc/03/82/47/655038247.db2.gz CMUKMRKBSZZLLH-UHFFFAOYSA-N 1 0 375.332 2.862 20 0 GFADRO C[C@H]([NH2+]C[C@@H]1CN2CCC[C@@H]2CO1)c1ccc(I)cc1 ZINC000097996876 655038310 /nfs/dbraw/zinc/03/83/10/655038310.db2.gz DIRQIIYWOLHFMP-APHBMKBZSA-N 1 0 386.277 2.805 20 0 GFADRO CN(CC1([NH+](C)C)CCC1)S(=O)(=O)c1cc(Br)cnc1Cl ZINC000097930055 655038355 /nfs/dbraw/zinc/03/83/55/655038355.db2.gz KDLIWUQXAOSLRQ-UHFFFAOYSA-N 1 0 396.738 2.602 20 0 GFADRO C[NH+](C)CCn1cc(NC(=O)COc2c(Cl)cccc2Cl)ccc1=O ZINC000270290074 655040041 /nfs/dbraw/zinc/04/00/41/655040041.db2.gz WTKMTSYNHSZLET-UHFFFAOYSA-N 1 0 384.263 2.734 20 0 GFADRO COc1cc(C[NH2+]CCC[C@H](C)CO)cc(I)c1OC ZINC000270302328 655040641 /nfs/dbraw/zinc/04/06/41/655040641.db2.gz SCAYDVIDWGNWBZ-NSHDSACASA-N 1 0 393.265 2.807 20 0 GFADRO OC[C@H]1CCC[N@H+](C[C@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000098143662 655040731 /nfs/dbraw/zinc/04/07/31/655040731.db2.gz VAEGWZNPUZQCSC-AAEUAGOBSA-N 1 0 378.694 2.547 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C(=O)NC[C@H]1CC[N@@H+](C)C1 ZINC000137572216 655040947 /nfs/dbraw/zinc/04/09/47/655040947.db2.gz JRKRFRKULQTYHX-CYBMUJFWSA-N 1 0 377.286 2.625 20 0 GFADRO Cc1cc(C[NH+](C)C)cc(NC(=O)c2nc3ncc(Br)cn3n2)c1 ZINC000270349532 655041838 /nfs/dbraw/zinc/04/18/38/655041838.db2.gz BODVLPUWTSARNH-UHFFFAOYSA-N 1 0 389.257 2.509 20 0 GFADRO C[N@H+](CCNC(=O)N[C@@H](CO)c1cccc(Br)c1)C1CCCC1 ZINC000139007025 655043948 /nfs/dbraw/zinc/04/39/48/655043948.db2.gz OHMDSUXNDPQNQU-INIZCTEOSA-N 1 0 384.318 2.656 20 0 GFADRO CC(C)[N@H+](C)CCNC(=O)N1CCO[C@H](c2ccccc2Br)C1 ZINC000102060726 655050381 /nfs/dbraw/zinc/05/03/81/655050381.db2.gz HQSKWGVGNJIIKT-INIZCTEOSA-N 1 0 384.318 2.872 20 0 GFADRO CS[C@@H]1CN(Cc2nnc(-c3ccccc3Br)o2)C[C@@H]1[NH+](C)C ZINC000270626666 655051395 /nfs/dbraw/zinc/05/13/95/655051395.db2.gz FQROKZKUJALMLL-UONOGXRCSA-N 1 0 397.342 2.977 20 0 GFADRO CCCCCC[NH2+][C@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000151872155 655054956 /nfs/dbraw/zinc/05/49/56/655054956.db2.gz HJOWRFNEHZBMTJ-CQSZACIVSA-N 1 0 376.544 2.643 20 0 GFADRO CC[C@@](C)(CC(=O)OC)[NH2+]CCS(=O)(=O)c1cccc(Br)c1 ZINC000152040107 655056250 /nfs/dbraw/zinc/05/62/50/655056250.db2.gz FTPULFJOKHHGTF-HNNXBMFYSA-N 1 0 392.315 2.544 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)c1ccc(Br)o1 ZINC000270837480 655057440 /nfs/dbraw/zinc/05/74/40/655057440.db2.gz JYCOHOGCUYNMKH-HUUCEWRRSA-N 1 0 393.281 2.655 20 0 GFADRO COc1cc(OC)cc([C@H](O)C[NH2+]Cc2cccc(O)c2Br)c1 ZINC000838944950 661064597 /nfs/dbraw/zinc/06/45/97/661064597.db2.gz QKBWZTKHCOPBKA-MRXNPFEDSA-N 1 0 382.254 2.995 20 0 GFADRO C[C@H](C(=O)N1CCC([N@H+](C)CCCO)CC1)c1ccc(Br)cc1 ZINC000270924516 655060207 /nfs/dbraw/zinc/06/02/07/655060207.db2.gz FTKOQYKIGQNAMM-AWEZNQCLSA-N 1 0 383.330 2.858 20 0 GFADRO O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)c1cc(Cl)c(Cl)[nH]1 ZINC000270927433 655060322 /nfs/dbraw/zinc/06/03/22/655060322.db2.gz UWUJUKHLLDLJGC-ZFWWWQNUSA-N 1 0 382.291 2.934 20 0 GFADRO COc1cc(C[N@H+](CCO)C(C)C)cc(I)c1OC ZINC000271034157 655064603 /nfs/dbraw/zinc/06/46/03/655064603.db2.gz JOQHYXHIHAUKDM-UHFFFAOYSA-N 1 0 379.238 2.511 20 0 GFADRO COC(=O)[C@H]1CC12CC[NH+](Cc1cnc3ccc(Br)cn13)CC2 ZINC000271178302 655068958 /nfs/dbraw/zinc/06/89/58/655068958.db2.gz KHORMFUMOMUNMX-CQSZACIVSA-N 1 0 378.270 2.872 20 0 GFADRO O=C(c1nccn2c(Br)cnc12)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000271217488 655071266 /nfs/dbraw/zinc/07/12/66/655071266.db2.gz CBLMQDHEIHUVSZ-CYBMUJFWSA-N 1 0 392.301 2.582 20 0 GFADRO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)N1C[C@H](C)[NH2+][C@@H](C)C1 ZINC000153856002 655071332 /nfs/dbraw/zinc/07/13/32/655071332.db2.gz BWVQMZVOHKLRDX-UWVGGRQHSA-N 1 0 379.254 2.686 20 0 GFADRO CC(C)C(=O)NC[C@H]1CCC[N@H+](C[C@H](O)c2ccc(Br)cc2)C1 ZINC000103479921 655073402 /nfs/dbraw/zinc/07/34/02/655073402.db2.gz NICVNAPJYJKKOT-PBHICJAKSA-N 1 0 383.330 2.967 20 0 GFADRO CCN(CC)S(=O)(=O)c1cc(NC(=O)CCCCC[NH3+])ccc1Cl ZINC000154223431 655074251 /nfs/dbraw/zinc/07/42/51/655074251.db2.gz CHLJNKXCAMJBDR-UHFFFAOYSA-N 1 0 375.922 2.828 20 0 GFADRO C[NH+](C)[C@@H]1CCN(c2ccc(NC(=O)c3cccc(Br)n3)nc2)C1 ZINC000271287909 655074658 /nfs/dbraw/zinc/07/46/58/655074658.db2.gz QUYDAIQTNUPYGW-CYBMUJFWSA-N 1 0 390.285 2.632 20 0 GFADRO OC[C@@H]([NH2+]Cc1cnc(N2CCOCC2)s1)c1ccc(Br)cc1 ZINC000271312540 655075694 /nfs/dbraw/zinc/07/56/94/655075694.db2.gz RJPPSCXUBIHCOY-OAHLLOKOSA-N 1 0 398.326 2.565 20 0 GFADRO C[N@@H+]1CC[C@H](CNC(=O)c2cc(Cl)ccc2I)C1 ZINC000104187204 655079511 /nfs/dbraw/zinc/07/95/11/655079511.db2.gz BVJVWULLSXTOFH-SECBINFHSA-N 1 0 378.641 2.626 20 0 GFADRO C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C[C@H]1CSCCS1 ZINC000154965849 655079535 /nfs/dbraw/zinc/07/95/35/655079535.db2.gz VGXDNXZRVSMVNU-WMZOPIPTSA-N 1 0 379.595 2.552 20 0 GFADRO C[C@H]([NH2+]C[C@@H](O)C1CCOCC1)c1ccccc1I ZINC000271425911 655081077 /nfs/dbraw/zinc/08/10/77/655081077.db2.gz BFTFOGLCGHCTTQ-XHDPSFHLSA-N 1 0 375.250 2.729 20 0 GFADRO CCCN(CC[NH+](C)C)C(=O)[C@H]1CCN(c2ccccc2Br)C1=O ZINC000104531160 655081957 /nfs/dbraw/zinc/08/19/57/655081957.db2.gz OASFFBHQXVUQIL-CQSZACIVSA-N 1 0 396.329 2.602 20 0 GFADRO C[C@H]([NH2+]C[C@H]1CCCN1S(C)(=O)=O)c1ccc(OCC(F)(F)F)cc1 ZINC000271540900 655084894 /nfs/dbraw/zinc/08/48/94/655084894.db2.gz SQUWZQQJMBFDGN-GXTWGEPZSA-N 1 0 380.432 2.702 20 0 GFADRO C[C@@H](CNC(=O)NC[C@@H](O)COc1cccc(Cl)c1Cl)[N@H+](C)C1CC1 ZINC000105270420 655090062 /nfs/dbraw/zinc/09/00/62/655090062.db2.gz JEWRKCDWKPDTCH-WCQYABFASA-N 1 0 390.311 2.515 20 0 GFADRO NC(=O)[C@H]([NH2+]CCN1CCc2sccc2C1)c1ccc(Br)cc1 ZINC000105401707 655092575 /nfs/dbraw/zinc/09/25/75/655092575.db2.gz PNAMBLFETXWLAV-MRXNPFEDSA-N 1 0 394.338 2.685 20 0 GFADRO CS(=O)(=O)C[C@@H]([NH2+]C[C@H](O)c1ccc(Br)cc1)c1ccccc1 ZINC000271780473 655094522 /nfs/dbraw/zinc/09/45/22/655094522.db2.gz KUKVZRLCZWXTFR-SJORKVTESA-N 1 0 398.322 2.858 20 0 GFADRO CS(=O)(=O)[C@H]1CCCC[C@@H]1[NH2+]CCCNc1ccc(C(F)(F)F)cn1 ZINC000271784234 655094712 /nfs/dbraw/zinc/09/47/12/655094712.db2.gz GMCBZRMHCOLHBA-KBPBESRZSA-N 1 0 379.448 2.848 20 0 GFADRO CS(=O)(=O)[C@H]1CCCC[C@H]1[NH2+]CCCNc1ccc(C(F)(F)F)cn1 ZINC000271784236 655094747 /nfs/dbraw/zinc/09/47/47/655094747.db2.gz GMCBZRMHCOLHBA-KGLIPLIRSA-N 1 0 379.448 2.848 20 0 GFADRO CC(C)CN1CC[NH+](Cn2ccc(=O)c3cccc(Br)c32)CC1 ZINC000105604282 655095848 /nfs/dbraw/zinc/09/58/48/655095848.db2.gz RJFIPGHEKWXUFR-UHFFFAOYSA-N 1 0 378.314 2.995 20 0 GFADRO O=S1(=O)CC[C@@]2(C1)C[C@H]([NH2+]Cc1ccc(OC(F)F)c(Cl)c1)CCO2 ZINC000271919098 655098592 /nfs/dbraw/zinc/09/85/92/655098592.db2.gz BNTWBKKCEHDVAA-WBMJQRKESA-N 1 0 395.855 2.767 20 0 GFADRO O=S1(=O)CC[C@@]2(C1)C[C@H]([NH2+]Cc1ccc(F)cc1C(F)(F)F)CCO2 ZINC000271920408 655098712 /nfs/dbraw/zinc/09/87/12/655098712.db2.gz BWWGHQDXUUHIRY-HIFRSBDPSA-N 1 0 381.391 2.670 20 0 GFADRO O=S1(=O)CC[C@]2(C1)C[C@H]([NH2+]Cc1ccc(OC(F)F)c(Cl)c1)CCO2 ZINC000271919097 655098730 /nfs/dbraw/zinc/09/87/30/655098730.db2.gz BNTWBKKCEHDVAA-MLGOLLRUSA-N 1 0 395.855 2.767 20 0 GFADRO CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+][C@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)C1 ZINC000271974095 655099724 /nfs/dbraw/zinc/09/97/24/655099724.db2.gz VCXKJGAHODHKRU-GHJWDPDVSA-N 1 0 388.892 2.530 20 0 GFADRO O=S1(=O)CC[C@]2(C1)C[C@H]([NH2+]Cc1ccc(CSC(F)F)o1)CCO2 ZINC000271985350 655100147 /nfs/dbraw/zinc/10/01/47/655100147.db2.gz KFDYNBIAGSTTBW-IAQYHMDHSA-N 1 0 381.466 2.561 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CCCC2)C1 ZINC000272166299 655104752 /nfs/dbraw/zinc/10/47/52/655104752.db2.gz BFTOAZLIGXYPTJ-ZIAGYGMSSA-N 1 0 384.929 2.622 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)C1 ZINC000272266960 655107522 /nfs/dbraw/zinc/10/75/22/655107522.db2.gz NHPIVFXMDPQVPR-OZVIIMIRSA-N 1 0 384.307 2.794 20 0 GFADRO CC[NH+]1CCN([C@H]2CCN(C(=O)/C=C/c3ccccc3Br)C2)CC1 ZINC000106799257 655111523 /nfs/dbraw/zinc/11/15/23/655111523.db2.gz GAFBQSIPCJUKEZ-OZSKJFCKSA-N 1 0 392.341 2.701 20 0 GFADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)COc3ccc(Cl)c(Cl)c3)C2)CC1 ZINC000106799807 655111625 /nfs/dbraw/zinc/11/16/25/655111625.db2.gz KJOJHUKCBSCBJM-CQSZACIVSA-N 1 0 386.323 2.611 20 0 GFADRO O=S(=O)(N[C@H]1CC[N@@H+](C2CCCC2)C1)c1ccc(Br)s1 ZINC000106891790 655113382 /nfs/dbraw/zinc/11/33/82/655113382.db2.gz ADFWSMLCOTXMTC-JTQLQIEISA-N 1 0 379.345 2.806 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)C(=O)NCC1(C)CC[NH+](C)CC1 ZINC000272640200 655117673 /nfs/dbraw/zinc/11/76/73/655117673.db2.gz FRLSPTHUHBHKRD-UHFFFAOYSA-N 1 0 396.329 2.798 20 0 GFADRO C[C@H](NC(=O)Cc1cc2c(cc1Br)OCCO2)C1=CC[N@H+](C)CC1 ZINC000272657993 655118323 /nfs/dbraw/zinc/11/83/23/655118323.db2.gz GJMNFTFCOZWZDP-LBPRGKRZSA-N 1 0 395.297 2.529 20 0 GFADRO C[C@H](NC(=O)/C=C/c1ccc(I)o1)C1=CC[N@H+](C)CC1 ZINC000272826695 655122669 /nfs/dbraw/zinc/12/26/69/655122669.db2.gz XSQUWOITVYUKNK-MALLOTDXSA-N 1 0 386.233 2.664 20 0 GFADRO C[C@@H]1CCC[N@H+](CCNC(=O)C[C@H]2Sc3ccc(Cl)cc3NC2=O)C1 ZINC000107632585 655123115 /nfs/dbraw/zinc/12/31/15/655123115.db2.gz CAMXNIMUMDBXBK-MLGOLLRUSA-N 1 0 381.929 2.991 20 0 GFADRO C[C@H](NC(=O)C[C@@H]1Sc2ccc(Cl)cc2NC1=O)C1=CC[N@H+](C)CC1 ZINC000272949662 655126135 /nfs/dbraw/zinc/12/61/35/655126135.db2.gz MRHRSLKFPZAWJT-ZBEGNZNMSA-N 1 0 379.913 2.910 20 0 GFADRO C[N@H+](CCc1ccc(S(N)(=O)=O)cc1)Cc1csc(Br)c1 ZINC000107910398 655126152 /nfs/dbraw/zinc/12/61/52/655126152.db2.gz HOMHUJQNSUUSPY-UHFFFAOYSA-N 1 0 389.340 2.833 20 0 GFADRO C[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(-n3cc(Br)cn3)cc2)C1 ZINC000108345295 655131602 /nfs/dbraw/zinc/13/16/02/655131602.db2.gz OTVCMTXAHOZVRC-ZDUSSCGKSA-N 1 0 377.286 2.706 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CN(C(=O)c2ccc(-c3ccc(Br)cc3)n2C)CCO1 ZINC000163132395 655134339 /nfs/dbraw/zinc/13/43/39/655134339.db2.gz GCILYMWDWDIRGW-PXAZEXFGSA-N 1 0 392.297 2.643 20 0 GFADRO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000164074045 655136654 /nfs/dbraw/zinc/13/66/54/655136654.db2.gz PEVUVECXFRTYRZ-KRWDZBQOSA-N 1 0 388.339 2.511 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)CC1CC[NH+](C)CC1 ZINC000273316003 655138934 /nfs/dbraw/zinc/13/89/34/655138934.db2.gz XYIVSNSLMFWGCQ-UHFFFAOYSA-N 1 0 382.302 2.544 20 0 GFADRO C[C@H](C1CC[NH+](C)CC1)N(C)S(=O)(=O)N(C)Cc1c(F)cccc1Cl ZINC000273409474 655142374 /nfs/dbraw/zinc/14/23/74/655142374.db2.gz IHHVUPOTFZAZAT-CYBMUJFWSA-N 1 0 391.940 2.818 20 0 GFADRO CC(C)(O)C[NH+]1CCN(C(=O)Nc2ccc(OC(F)F)c(Cl)c2)CC1 ZINC000109156267 655142851 /nfs/dbraw/zinc/14/28/51/655142851.db2.gz YVEYGICKSSVFQO-UHFFFAOYSA-N 1 0 377.819 2.862 20 0 GFADRO CCc1nc2c(s1)[C@H]([NH2+]C1CCN(S(=O)(=O)C(F)(F)F)CC1)CCC2 ZINC000168080350 655142983 /nfs/dbraw/zinc/14/29/83/655142983.db2.gz CGGXVKJISVCXSH-LLVKDONJSA-N 1 0 397.488 2.987 20 0 GFADRO CC(C)(C)[C@@H]([NH2+]CCCOc1cccc(I)c1)C(N)=O ZINC000109331004 655144966 /nfs/dbraw/zinc/14/49/66/655144966.db2.gz FFXGECQXOLBUNH-ZDUSSCGKSA-N 1 0 390.265 2.550 20 0 GFADRO C[C@H]1C[C@@H](N(C)C(=O)Nc2ccncc2I)CC[N@@H+]1C ZINC000273865272 655161529 /nfs/dbraw/zinc/16/15/29/655161529.db2.gz OSJWGFWATABIKB-QWRGUYRKSA-N 1 0 388.253 2.633 20 0 GFADRO CC(=O)Nc1cc(F)c(S(=O)(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1Cl ZINC000173274468 655166566 /nfs/dbraw/zinc/16/65/66/655166566.db2.gz LCQIYQOPCWSLMM-JQWIXIFHSA-N 1 0 391.896 2.541 20 0 GFADRO O[C@H](COc1ccc(Br)cc1)C[N@@H+]1CCC[C@@H]1[C@H](O)C(F)(F)F ZINC000111231894 655166714 /nfs/dbraw/zinc/16/67/14/655166714.db2.gz BYZKTTPTUQKGAP-YUTCNCBUSA-N 1 0 398.219 2.576 20 0 GFADRO C[C@@H]([NH2+]C1CCN(CCS(C)(=O)=O)CC1)c1ccc(C(F)(F)F)cc1 ZINC000173404933 655170453 /nfs/dbraw/zinc/17/04/53/655170453.db2.gz RBWJIZYWXNFLOR-CYBMUJFWSA-N 1 0 378.460 2.865 20 0 GFADRO Cn1cc(N2CC[C@@H]([NH2+][C@H]3CCc4cc(Br)ccc43)C2=O)cn1 ZINC000111372955 655171937 /nfs/dbraw/zinc/17/19/37/655171937.db2.gz BMWYRZMIUPAWHK-JKSUJKDBSA-N 1 0 375.270 2.565 20 0 GFADRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)Nc1ccc(NS(C)(=O)=O)c(Cl)c1 ZINC000173555620 655174907 /nfs/dbraw/zinc/17/49/07/655174907.db2.gz FUFYEQGIYRWIHN-LBPRGKRZSA-N 1 0 388.921 2.517 20 0 GFADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)NC1(c2ccc(Br)cc2)CC1 ZINC000111846969 655178006 /nfs/dbraw/zinc/17/80/06/655178006.db2.gz ISTMNELWKPVISM-MRXNPFEDSA-N 1 0 396.329 2.848 20 0 GFADRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)COc1ccc(C=O)cc1Br ZINC000173777528 655180940 /nfs/dbraw/zinc/18/09/40/655180940.db2.gz NPVBCRBRQXUAHL-UONOGXRCSA-N 1 0 397.313 2.877 20 0 GFADRO CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]CCc2cn3c(n2)SCC3)cc1 ZINC000274381941 655186352 /nfs/dbraw/zinc/18/63/52/655186352.db2.gz MXGCWIOLJMYJIR-CYBMUJFWSA-N 1 0 380.539 2.644 20 0 GFADRO CN(CCc1ccc(Br)cc1)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000173944583 655187275 /nfs/dbraw/zinc/18/72/75/655187275.db2.gz HWSUEHFPYMSSPI-UHFFFAOYSA-N 1 0 394.317 2.914 20 0 GFADRO CC(C)[NH+](CCNS(=O)(=O)Cc1ccc(Br)cc1)C(C)C ZINC000173993544 655188849 /nfs/dbraw/zinc/18/88/49/655188849.db2.gz GVLIWKJNFVTXEP-UHFFFAOYSA-N 1 0 377.348 2.987 20 0 GFADRO C[C@@H]1CCC[N@H+](CCNS(=O)(=O)Cc2ccc(Br)cc2)C1 ZINC000174003263 655189769 /nfs/dbraw/zinc/18/97/69/655189769.db2.gz UZJFLQGMPQMJBA-CYBMUJFWSA-N 1 0 375.332 2.600 20 0 GFADRO CC[NH+](CC)[C@@H]1CCN(C(=O)c2ccc(S(=O)(=O)C(F)(F)F)cc2)C1 ZINC000174125163 655192620 /nfs/dbraw/zinc/19/26/20/655192620.db2.gz PLLPLHHRIXKVLC-CYBMUJFWSA-N 1 0 378.416 2.536 20 0 GFADRO C[N@H+](C[C@@H](O)COc1ccc(F)cc1)C[C@H](O)c1cccc(Br)c1 ZINC000839637687 661097668 /nfs/dbraw/zinc/09/76/68/661097668.db2.gz XXQISALLQRSZIX-AEFFLSMTSA-N 1 0 398.272 2.993 20 0 GFADRO NC(=O)[C@]1(c2ccccc2)CC[N@H+](C[C@H](O)c2cccc(Br)c2)C1 ZINC000839638810 661097690 /nfs/dbraw/zinc/09/76/90/661097690.db2.gz ATYXLUDONSKZJG-PKOBYXMFSA-N 1 0 389.293 2.612 20 0 GFADRO C[C@H](CCN1CC[NH+](C)CC1)NC(=O)c1c(Cl)nccc1C(F)(F)F ZINC000274589623 655193823 /nfs/dbraw/zinc/19/38/23/655193823.db2.gz ISQGBFJXOKGWBJ-LLVKDONJSA-N 1 0 378.826 2.510 20 0 GFADRO CC[N@H+](CC(=O)NCC(=O)Nc1ccccc1Br)[C@@H](C)C(C)C ZINC000112657437 655194521 /nfs/dbraw/zinc/19/45/21/655194521.db2.gz XQXWYTRIWCWPEC-ZDUSSCGKSA-N 1 0 384.318 2.870 20 0 GFADRO NC(=O)[C@]1(c2ccccc2)CC[N@H+](C[C@@H](O)c2ccc(Br)cc2)C1 ZINC000839643156 661098412 /nfs/dbraw/zinc/09/84/12/661098412.db2.gz PJCDHQPWNOBHSZ-IEBWSBKVSA-N 1 0 389.293 2.612 20 0 GFADRO COc1cc(C[NH2+]CCC(C)(C)O)cc(I)c1OC ZINC000274717749 655198569 /nfs/dbraw/zinc/19/85/69/655198569.db2.gz CUVKEJFGAPKIRW-UHFFFAOYSA-N 1 0 379.238 2.559 20 0 GFADRO COC[C@H]1CCC[N@H+](CC(=O)N(C)CCOc2ccc(Br)cc2)C1 ZINC000112989685 655201109 /nfs/dbraw/zinc/20/11/09/655201109.db2.gz WTPJVKFPUGOBBQ-HNNXBMFYSA-N 1 0 399.329 2.645 20 0 GFADRO CC(C)[NH+]1CCC(NC(=O)C(=O)Nc2ccc(Br)c(F)c2)CC1 ZINC000174570665 655203941 /nfs/dbraw/zinc/20/39/41/655203941.db2.gz VANONZLPSIBOTN-UHFFFAOYSA-N 1 0 386.265 2.516 20 0 GFADRO COCC[N@H+](C)CCCNC(=O)Cc1ccc(Cl)cc1Br ZINC000113148276 655204067 /nfs/dbraw/zinc/20/40/67/655204067.db2.gz MXVHZUKYDUTHEF-UHFFFAOYSA-N 1 0 377.710 2.730 20 0 GFADRO CN(C)c1ncc(Br)cc1C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000113145232 655204092 /nfs/dbraw/zinc/20/40/92/655204092.db2.gz SPCDDLVJTZHFFQ-UHFFFAOYSA-N 1 0 391.313 2.902 20 0 GFADRO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)CN1CC[C@@](O)(C(F)(F)F)C1 ZINC000174754285 655207667 /nfs/dbraw/zinc/20/76/67/655207667.db2.gz SJHMJSTWPXQLFG-AWEZNQCLSA-N 1 0 385.213 2.951 20 0 GFADRO C[NH+](C)C[C@H]1CCN(C(=O)[C@]23CCC(=O)N2c2cc(Cl)ccc2S3)C1 ZINC000113452113 655210667 /nfs/dbraw/zinc/21/06/67/655210667.db2.gz BIYVNODVMXQYDG-KZULUSFZSA-N 1 0 379.913 2.679 20 0 GFADRO CS[C@@H]1CN(CCCS(=O)(=O)c2ccc(C)cc2)C[C@@H]1[NH+]1CCCC1 ZINC000275143681 655219444 /nfs/dbraw/zinc/21/94/44/655219444.db2.gz XHKHKBALANQIIB-RBUKOAKNSA-N 1 0 382.595 2.670 20 0 GFADRO COC(=O)c1ccc(Cl)c(C[N@@H+]2CC[C@H](C(=O)NCC(F)(F)F)C2)c1 ZINC000275141967 655219447 /nfs/dbraw/zinc/21/94/47/655219447.db2.gz VREXEWQIYJNEFK-NSHDSACASA-N 1 0 378.778 2.627 20 0 GFADRO C[NH+]1CCC2(CCCN2C(=O)C(=O)Nc2cc(Cl)c(N)c(Cl)c2)CC1 ZINC000839529370 661090099 /nfs/dbraw/zinc/09/00/99/661090099.db2.gz WEPDOFKDZJAVDU-UHFFFAOYSA-N 1 0 385.295 2.601 20 0 GFADRO C[C@@H]1CCC[N@H+](CCNC(=O)c2cc(=O)[nH]c3c(Br)cccc23)C1 ZINC000175520605 655222102 /nfs/dbraw/zinc/22/21/02/655222102.db2.gz OCDSRANYWBJUSL-GFCCVEGCSA-N 1 0 392.297 2.752 20 0 GFADRO CC(C)[NH+]1CCC(NC(=O)CN(C)Cc2cc(Br)cs2)CC1 ZINC000114455283 655224291 /nfs/dbraw/zinc/22/42/91/655224291.db2.gz PAPRODKXXUQSLR-UHFFFAOYSA-N 1 0 388.375 2.931 20 0 GFADRO CC1(C)CCC[N@H+](CCNC(=O)C(=O)Nc2cc(Cl)c(N)c(Cl)c2)C1 ZINC000839542531 661090900 /nfs/dbraw/zinc/09/09/00/661090900.db2.gz RKMVOPYXQJCWRT-UHFFFAOYSA-N 1 0 387.311 2.752 20 0 GFADRO CSc1nnc(CNC(=O)N[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)s1 ZINC000275379659 655232831 /nfs/dbraw/zinc/23/28/31/655232831.db2.gz CXJFSBHGPQQANE-OCCSQVGLSA-N 1 0 377.539 2.722 20 0 GFADRO CSc1nnc(CNC(=O)N2CCC[N@H+](Cc3ccccc3)CC2)s1 ZINC000275383836 655233082 /nfs/dbraw/zinc/23/30/82/655233082.db2.gz FCRUKCFPSPWBKC-UHFFFAOYSA-N 1 0 377.539 2.678 20 0 GFADRO O=C(Nc1c(F)cccc1Br)C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000176077862 655234444 /nfs/dbraw/zinc/23/44/44/655234444.db2.gz DWVARDNVBQMAHH-UHFFFAOYSA-N 1 0 398.276 2.614 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)c1cc(I)c[nH]1)c1ccccc1 ZINC000115316557 655234646 /nfs/dbraw/zinc/23/46/46/655234646.db2.gz SFCWKXOWRHZNTL-AWEZNQCLSA-N 1 0 383.233 2.652 20 0 GFADRO O[C@@H](c1ncc[nH]1)C1CC[NH+](CCOc2cccc(Br)c2)CC1 ZINC000839574292 661092816 /nfs/dbraw/zinc/09/28/16/661092816.db2.gz AXGWYQBDOQGBQW-MRXNPFEDSA-N 1 0 380.286 2.997 20 0 GFADRO CC(C)[C@@H](CC(F)(F)F)[NH2+]CC(=O)Nc1sc2c(c1C(N)=O)CCC2 ZINC000839574325 661092987 /nfs/dbraw/zinc/09/29/87/661092987.db2.gz LIXWHJKSQASARR-SNVBAGLBSA-N 1 0 377.432 2.841 20 0 GFADRO CC1CC[NH+]([C@H](CNC(=O)NC[C@@]2(O)CCSC2)c2cccs2)CC1 ZINC000176150573 655237420 /nfs/dbraw/zinc/23/74/20/655237420.db2.gz GZOXWOAUGOTYOQ-QAPCUYQASA-N 1 0 383.583 2.688 20 0 GFADRO CC[NH+](CC)[C@H](CNC(=O)NC[C@@]1(O)CCSC1)c1ccccc1Cl ZINC000176150677 655237443 /nfs/dbraw/zinc/23/74/43/655237443.db2.gz CTHVYRQLSYZJTB-AEFFLSMTSA-N 1 0 385.961 2.890 20 0 GFADRO CN(C[C@@H]1CCC[N@H+](C)C1)S(=O)(=O)c1ccc(OC(F)F)c(Cl)c1 ZINC000115585851 655239664 /nfs/dbraw/zinc/23/96/64/655239664.db2.gz XSGLGHLCIQGMBR-LLVKDONJSA-N 1 0 382.860 2.904 20 0 GFADRO CCOCCC[N@@H+]1CC[C@@H](NS(=O)(=O)c2ccc(F)cc2Cl)[C@H](C)C1 ZINC000115591760 655240177 /nfs/dbraw/zinc/24/01/77/655240177.db2.gz FQFKRQGPHLBYLK-CZUORRHYSA-N 1 0 392.924 2.894 20 0 GFADRO O=C(NC[C@H](O)c1cc(F)cc(Cl)c1)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000839748075 661104224 /nfs/dbraw/zinc/10/42/24/661104224.db2.gz WWBBXEMONXQZMV-IRXDYDNUSA-N 1 0 386.920 2.846 20 0 GFADRO CC(C)(C)[S@@](=O)CCNC(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000116951766 655257365 /nfs/dbraw/zinc/25/73/65/655257365.db2.gz BGUPUXCACPVORC-RUZDIDTESA-N 1 0 385.599 2.807 20 0 GFADRO CCO[C@H](CC[NH+](C)C)CNC(=O)c1cc(Br)cnc1Cl ZINC000176902466 655259909 /nfs/dbraw/zinc/25/99/09/655259909.db2.gz ZLCGHCWZGBFIGN-LLVKDONJSA-N 1 0 378.698 2.584 20 0 GFADRO Cn1cc([C@@H](O)C[NH2+][C@@H](c2cccc(Br)c2)C2CCOCC2)cn1 ZINC000276083673 655261303 /nfs/dbraw/zinc/26/13/03/655261303.db2.gz BPQUJOBRNAIGNQ-ZWKOTPCHSA-N 1 0 394.313 2.974 20 0 GFADRO CC(C)NC(=O)CN1CC[NH+](CC/C=C/c2ccc(Br)cc2)CC1 ZINC000117333993 655264395 /nfs/dbraw/zinc/26/43/95/655264395.db2.gz MXCFCYNLBXOMRN-HWKANZROSA-N 1 0 394.357 2.995 20 0 GFADRO Cc1ccc(I)c(C(=O)N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c1 ZINC000177098896 655268514 /nfs/dbraw/zinc/26/85/14/655268514.db2.gz JCUHJRUFHNHNNQ-NEPJUHHUSA-N 1 0 384.261 2.955 20 0 GFADRO CC[C@H](CO)[NH+]1CCN(C(=O)Nc2ccc(OC(F)F)c(Cl)c2)CC1 ZINC000177100673 655268607 /nfs/dbraw/zinc/26/86/07/655268607.db2.gz ANXLWMNWXALVQB-GFCCVEGCSA-N 1 0 377.819 2.862 20 0 GFADRO CCOC(=O)Cc1csc(NC(=O)C[NH2+][C@@H]2CCCC[C@H]2SCC)n1 ZINC000276261641 655269228 /nfs/dbraw/zinc/26/92/28/655269228.db2.gz RFAWJIFQVQFSKL-ZIAGYGMSSA-N 1 0 385.555 2.841 20 0 GFADRO C[NH+](C)C1CCN(CCNC(=O)C(C)(C)c2ccc(Br)cc2)CC1 ZINC000177127997 655269523 /nfs/dbraw/zinc/26/95/23/655269523.db2.gz HECMFBPBHSEDJU-UHFFFAOYSA-N 1 0 396.373 2.869 20 0 GFADRO C[C@@H](C(=O)NCCN1CCC([NH+](C)C)CC1)c1ccc(Br)s1 ZINC000177141653 655270023 /nfs/dbraw/zinc/27/00/23/655270023.db2.gz SVCIRFDVATVKDA-GFCCVEGCSA-N 1 0 388.375 2.756 20 0 GFADRO CCN(CCC[NH+](CC)CC)C(=O)c1cnn2cc(Br)cnc12 ZINC000276478284 655276770 /nfs/dbraw/zinc/27/67/70/655276770.db2.gz QHDMAZITKMQAJM-UHFFFAOYSA-N 1 0 382.306 2.686 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)c2cc(Br)c3c(c2)OCCO3)C1 ZINC000177523074 655279360 /nfs/dbraw/zinc/27/93/60/655279360.db2.gz NYORXKSTDGFALE-QWHCGFSZSA-N 1 0 383.286 2.823 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)C(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000118895780 655283005 /nfs/dbraw/zinc/28/30/05/655283005.db2.gz GUBUDYHCUZYPAK-ZDUSSCGKSA-N 1 0 396.329 2.934 20 0 GFADRO C[NH+](C)CC(C)(C)CNC(=O)C(=O)Nc1ccc(Br)cc1Cl ZINC000118897221 655283135 /nfs/dbraw/zinc/28/31/35/655283135.db2.gz LSQAUXMCOGMESM-UHFFFAOYSA-N 1 0 390.709 2.745 20 0 GFADRO CC(C)[NH+](CCNC(=O)C(=O)Nc1cc(Br)ccc1F)C(C)C ZINC000119072102 655289172 /nfs/dbraw/zinc/28/91/72/655289172.db2.gz CSBJLYUJWUDEFL-UHFFFAOYSA-N 1 0 388.281 2.762 20 0 GFADRO CC(C)C[NH+]1CCC(NC(=O)N[C@@H](CO)c2cccc(Br)c2)CC1 ZINC000177913937 655291248 /nfs/dbraw/zinc/29/12/48/655291248.db2.gz SUOWMNUUSJRMMM-KRWDZBQOSA-N 1 0 398.345 2.902 20 0 GFADRO CN(Cc1c(F)cccc1Cl)S(=O)(=O)N1CCC[C@@H]([NH+](C)C)CC1 ZINC000276970722 655295694 /nfs/dbraw/zinc/29/56/94/655295694.db2.gz FVOQKPRBASPOSJ-CYBMUJFWSA-N 1 0 377.913 2.572 20 0 GFADRO CCc1c(C(=O)NCCC[NH+](C)C)cnn1-c1ccc(Br)cc1 ZINC000119300269 655297644 /nfs/dbraw/zinc/29/76/44/655297644.db2.gz KCCBQSKXYNYOFQ-UHFFFAOYSA-N 1 0 379.302 2.879 20 0 GFADRO CCOC(=O)N1CCC([NH2+]C[C@@H](CO)Cc2cccc(Br)c2)CC1 ZINC000277043897 655299847 /nfs/dbraw/zinc/29/98/47/655299847.db2.gz PLNGMBIQJUBPSU-HNNXBMFYSA-N 1 0 399.329 2.811 20 0 GFADRO C[C@H](Cn1cc(Br)cn1)[NH2+][C@@H]1CCCN(c2ccccc2)C1=O ZINC000178251274 655300084 /nfs/dbraw/zinc/30/00/84/655300084.db2.gz IEYBHSVWFYLAOP-CZUORRHYSA-N 1 0 377.286 2.819 20 0 GFADRO C[NH+](C)Cc1ccsc1C(=O)NCc1ccc(S(C)(=O)=O)c(Cl)c1 ZINC000277050211 655300363 /nfs/dbraw/zinc/30/03/63/655300363.db2.gz AXRBUSJPXRAIMD-UHFFFAOYSA-N 1 0 386.926 2.797 20 0 GFADRO CCN(CC)S(=O)(=O)c1ccc(CC[NH2+][C@@H]2C[C@@H](C)N(C3CC3)C2)s1 ZINC000119379929 655301737 /nfs/dbraw/zinc/30/17/37/655301737.db2.gz CJORZQNAEMNPKC-HUUCEWRRSA-N 1 0 385.599 2.536 20 0 GFADRO O=C(Cc1cc(Cl)ccc1Br)NCCC[NH+]1CCC(O)CC1 ZINC000178385462 655302179 /nfs/dbraw/zinc/30/21/79/655302179.db2.gz AOKAJXDPSJYYJW-UHFFFAOYSA-N 1 0 389.721 2.608 20 0 GFADRO Cc1ccc(NC(=O)C(=O)N2CCC[C@H]([NH+](C)C)CC2)cc1Br ZINC000277141471 655305098 /nfs/dbraw/zinc/30/50/98/655305098.db2.gz PSIFOZFBYRFCJO-AWEZNQCLSA-N 1 0 382.302 2.639 20 0 GFADRO O=S(=O)(N1CCC(C[NH2+]C/C=C/c2ccc(F)cc2)CC1)C(F)(F)F ZINC000178746230 655308901 /nfs/dbraw/zinc/30/89/01/655308901.db2.gz SXDJNUVNFSKZAC-OWOJBTEDSA-N 1 0 380.407 2.990 20 0 GFADRO COC(=O)c1cc(S(=O)(=O)N2CCC([C@@H](C)[NH3+])CC2)c(Cl)cc1Cl ZINC000178926168 655310634 /nfs/dbraw/zinc/31/06/34/655310634.db2.gz HZAMLJWONPOSPW-SECBINFHSA-N 1 0 395.308 2.528 20 0 GFADRO COC(=O)c1c(Br)ccc(NC(=O)N2CC[C@H](C[NH+](C)C)C2)c1C ZINC000277341067 655313838 /nfs/dbraw/zinc/31/38/38/655313838.db2.gz XDPBGXGUPJDHLO-GFCCVEGCSA-N 1 0 398.301 2.960 20 0 GFADRO CC[NH+](CC)CCCNC(=O)C[C@H](NC(C)=O)c1ccc(Br)cc1 ZINC000119774444 655314637 /nfs/dbraw/zinc/31/46/37/655314637.db2.gz XIIPAFGWBARIBE-KRWDZBQOSA-N 1 0 398.345 2.865 20 0 GFADRO C[C@]1(C(=O)N2CCN(Cc3ccc(Br)s3)CC2)CCC[NH2+]C1 ZINC000119871373 655319216 /nfs/dbraw/zinc/31/92/16/655319216.db2.gz YSVZXKRYUGZVCH-INIZCTEOSA-N 1 0 386.359 2.545 20 0 GFADRO COc1cc(C[NH2+]CCO)ccc1OCCOc1cccc(Br)c1 ZINC000119926493 655321495 /nfs/dbraw/zinc/32/14/95/655321495.db2.gz YZEQXEOWTYCJCO-UHFFFAOYSA-N 1 0 396.281 2.997 20 0 GFADRO CC(C)[N@H+](C)Cc1cccc(CNC(=O)c2csc(S(C)(=O)=O)c2)c1 ZINC000119965895 655323153 /nfs/dbraw/zinc/32/31/53/655323153.db2.gz MAXCHBZJYUJUFU-UHFFFAOYSA-N 1 0 380.535 2.922 20 0 GFADRO C[NH+](C)CCOc1ccccc1CNS(=O)(=O)c1ccc(F)c(Cl)c1 ZINC000119983419 655324035 /nfs/dbraw/zinc/32/40/35/655324035.db2.gz DHMCZSLRTJPRID-UHFFFAOYSA-N 1 0 386.876 2.898 20 0 GFADRO CSCC[C@@H]1NC(=S)N(C[C@H]2CCC[N@H+](Cc3cccs3)C2)C1=O ZINC000120042875 655325567 /nfs/dbraw/zinc/32/55/67/655325567.db2.gz BMRMLYZTVWOJSV-ZFWWWQNUSA-N 1 0 383.608 2.799 20 0 GFADRO C[NH+](C)CCn1ccc(NC(=O)CCOc2cccc(Br)c2)n1 ZINC000120060723 655326390 /nfs/dbraw/zinc/32/63/90/655326390.db2.gz KDXCFEYMNXEIRC-UHFFFAOYSA-N 1 0 381.274 2.615 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)N[C@@H](CO)c2cccc(Br)c2)C1 ZINC000120115958 655328319 /nfs/dbraw/zinc/32/83/19/655328319.db2.gz BVGCNHBNHNJCLW-OAGGEKHMSA-N 1 0 384.318 2.655 20 0 GFADRO Cc1onc(-c2ccc(Cl)cc2Cl)c1C(=O)NC[C@](C)(O)C[NH+](C)C ZINC000280979122 655331456 /nfs/dbraw/zinc/33/14/56/655331456.db2.gz CSUFNSGORVEUFA-KRWDZBQOSA-N 1 0 386.279 2.999 20 0 GFADRO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)N[C@@H]1COc2cc(F)c(Br)cc21 ZINC000281798558 655337855 /nfs/dbraw/zinc/33/78/55/655337855.db2.gz FYTLRQOFZOIVMW-MEBBXXQBSA-N 1 0 398.276 2.805 20 0 GFADRO C[NH+](C)Cc1cccc(NC(=O)CCn2cc(Br)ccc2=O)c1 ZINC000120531551 655338398 /nfs/dbraw/zinc/33/83/98/655338398.db2.gz BSUSSPPWVOVDJQ-UHFFFAOYSA-N 1 0 378.270 2.701 20 0 GFADRO Cc1ccc(NC(=O)C(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)c(Br)c1 ZINC000120581100 655339695 /nfs/dbraw/zinc/33/96/95/655339695.db2.gz AWCYMGRFKCWTOR-OLZOCXBDSA-N 1 0 382.302 2.637 20 0 GFADRO O=C1[C@@H](c2cccc(Br)c2)CCN1CN1CC[C@@H]([NH+]2CCCC2)C1 ZINC000839988113 661122477 /nfs/dbraw/zinc/12/24/77/661122477.db2.gz UBLKOAVBPZZOOL-QZTJIDSGSA-N 1 0 392.341 2.893 20 0 GFADRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1cc(Br)c2c(c1)OCCO2 ZINC000120663091 655341666 /nfs/dbraw/zinc/34/16/66/655341666.db2.gz AXIQYCVEPACSGK-FZMZJTMJSA-N 1 0 383.286 2.633 20 0 GFADRO C[C@H](Cc1c(Cl)cccc1Cl)NC(=O)N[C@H](C)CN1CC[NH+](C)CC1 ZINC000120708168 655342767 /nfs/dbraw/zinc/34/27/67/655342767.db2.gz BMRGQHMOYVSLGT-ZIAGYGMSSA-N 1 0 387.355 2.860 20 0 GFADRO O[C@@H](CN1CCC(C[NH+]2CCOCC2)CC1)c1cccc(Br)c1 ZINC000120719999 655343187 /nfs/dbraw/zinc/34/31/87/655343187.db2.gz FSBTZVPTSBMGEQ-SFHVURJKSA-N 1 0 383.330 2.527 20 0 GFADRO CC[NH+]1CCN([C@H](C)CNC(=O)CCOc2ccc(Cl)cc2Cl)CC1 ZINC000120876722 655345848 /nfs/dbraw/zinc/34/58/48/655345848.db2.gz YOVBRTMLRJEBMS-CQSZACIVSA-N 1 0 388.339 2.905 20 0 GFADRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)NCc1ccc(O)c(Br)c1 ZINC000289301252 655345979 /nfs/dbraw/zinc/34/59/79/655345979.db2.gz VPKYLTMGUSRMEU-IUODEOHRSA-N 1 0 382.302 2.923 20 0 GFADRO C[C@@H]([NH2+]CCS(=O)(=O)C(C)(C)C)[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000183901010 655354294 /nfs/dbraw/zinc/35/42/94/655354294.db2.gz LZJVFIUVHJQVEA-CABCVRRESA-N 1 0 376.563 2.967 20 0 GFADRO O[C@H](COc1cc(Cl)ccc1Cl)C[NH+]1CCC2(CC1)OCCCO2 ZINC000292893231 655356270 /nfs/dbraw/zinc/35/62/70/655356270.db2.gz DCDKPJLQUYXEGY-AWEZNQCLSA-N 1 0 376.280 2.962 20 0 GFADRO O[C@H](COc1ccc(Cl)cc1Br)C[N@@H+]1CCC[C@H](O)CC1 ZINC000292899855 655356532 /nfs/dbraw/zinc/35/65/32/655356532.db2.gz AGRSRIDQMYRTRV-STQMWFEESA-N 1 0 378.694 2.689 20 0 GFADRO O=C1[C@@H](c2cccc(Br)c2)CCN1C[N@@H+]1CC[C@@]2(CCOC2)C1 ZINC000840027300 661125712 /nfs/dbraw/zinc/12/57/12/661125712.db2.gz YEHOVMBDTRDBJM-SJLPKXTDSA-N 1 0 379.298 2.835 20 0 GFADRO C[C@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1cc(Br)cc(F)c1[O-] ZINC000184983312 655361467 /nfs/dbraw/zinc/36/14/67/655361467.db2.gz GTGUUNPOAIJFMR-LBPRGKRZSA-N 1 0 388.325 2.970 20 0 GFADRO Cc1nccn1C[C@H](C)CNC(=O)[C@](C)([NH3+])c1ccc(Br)cc1 ZINC000293978596 655363811 /nfs/dbraw/zinc/36/38/11/655363811.db2.gz BNDYUKSJDCWEHX-SJKOYZFVSA-N 1 0 379.302 2.580 20 0 GFADRO Cc1c([C@@H](C)[NH2+]C[C@H]2CC[C@@H](CO)O2)nnn1-c1cccc(Br)c1 ZINC000294047801 655364562 /nfs/dbraw/zinc/36/45/62/655364562.db2.gz GMXXTEGZDLABES-LYRGGWFBSA-N 1 0 395.301 2.529 20 0 GFADRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)c3ccc(I)cc3)C2)C1 ZINC000294096219 655364999 /nfs/dbraw/zinc/36/49/99/655364999.db2.gz KOFOAMZMRDMQMQ-MRXNPFEDSA-N 1 0 384.261 2.849 20 0 GFADRO CC[C@H](Cc1ccccc1Br)[N@H+](C)CCCOC(=O)NC(N)=O ZINC000185928773 655366991 /nfs/dbraw/zinc/36/69/91/655366991.db2.gz ICGKNDSAQNOEQU-CYBMUJFWSA-N 1 0 386.290 2.897 20 0 GFADRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+]C[C@@H](O)c2ccc(F)cc2Cl)cc1 ZINC000187421450 655374286 /nfs/dbraw/zinc/37/42/86/655374286.db2.gz WMDXGBNZPZTVCY-APPDUMDISA-N 1 0 386.876 2.771 20 0 GFADRO C[C@@H](CC[NH+](C)C)NC(=O)Nc1cc(Br)ccc1N1CCOCC1 ZINC000299379736 655375279 /nfs/dbraw/zinc/37/52/79/655375279.db2.gz PODSHNVIVNHUMU-ZDUSSCGKSA-N 1 0 399.333 2.747 20 0 GFADRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)Nc1cc(Cl)c(N)c(Cl)c1 ZINC000299552489 655376897 /nfs/dbraw/zinc/37/68/97/655376897.db2.gz GDKLCXPKBJGYCB-SNVBAGLBSA-N 1 0 387.311 2.703 20 0 GFADRO C[N@@H+]1CCC[C@@]2(CCN(Cn3c4ccc(Br)cc4oc3=O)C2)C1 ZINC000840085406 661130484 /nfs/dbraw/zinc/13/04/84/661130484.db2.gz DSVMJSSYJNTRTK-QGZVFWFLSA-N 1 0 380.286 2.732 20 0 GFADRO Cc1cc(S(=O)(=O)NC[C@H](C)N2CCc3sccc3C2)cnc1Cl ZINC000303704208 655378234 /nfs/dbraw/zinc/37/82/34/655378234.db2.gz SDSRZBMNAKDXFT-LBPRGKRZSA-N 1 0 385.942 2.830 20 0 GFADRO CCN(CCC[NH+]1CCCC1)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F ZINC000188257454 655379123 /nfs/dbraw/zinc/37/91/23/655379123.db2.gz UZMOHDPTCKDKRK-UHFFFAOYSA-N 1 0 386.386 2.879 20 0 GFADRO C[N@@H+]1CCC[C@@]2(CCN(Cn3c4cc(Br)ccc4oc3=O)C2)C1 ZINC000840087449 661130946 /nfs/dbraw/zinc/13/09/46/661130946.db2.gz SLTKMZQNXQGAHA-QGZVFWFLSA-N 1 0 380.286 2.732 20 0 GFADRO O=S(=O)(c1ccc(CC[NH2+]Cc2ccc(F)nc2)s1)N1CCCCC1 ZINC000189132011 655384803 /nfs/dbraw/zinc/38/48/03/655384803.db2.gz JYYMRQNWSWYBNA-UHFFFAOYSA-N 1 0 383.514 2.789 20 0 GFADRO O=S(=O)(c1ccc(OCC[NH2+]Cc2ccc(F)nc2)cc1)C(F)(F)F ZINC000189173489 655385075 /nfs/dbraw/zinc/38/50/75/655385075.db2.gz KWHVLTUJGLGFHW-UHFFFAOYSA-N 1 0 378.347 2.683 20 0 GFADRO CC[C@@H]1C[N@H+](C)CCN1CN1CC[C@@H](c2cccc(Br)c2)C1=O ZINC000840090484 661131607 /nfs/dbraw/zinc/13/16/07/661131607.db2.gz GIBKLYBVIDSGRF-SJORKVTESA-N 1 0 380.330 2.749 20 0 GFADRO O=C1[C@H]([NH2+][C@@H]2CCOc3c(Br)cccc32)CCN1C1CCOCC1 ZINC000328632925 655386993 /nfs/dbraw/zinc/38/69/93/655386993.db2.gz ARCDCCQFOYRAGQ-HZPDHXFCSA-N 1 0 395.297 2.642 20 0 GFADRO CS(=O)(=O)c1ccc(Cl)c(-c2nc(-c3ccn4c[nH+]cc4c3)no2)n1 ZINC000350308080 655390553 /nfs/dbraw/zinc/39/05/53/655390553.db2.gz IZKYTYPMAMTKNC-UHFFFAOYSA-N 1 0 375.797 2.503 20 0 GFADRO O=C(NCCOc1cccc(Br)c1)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000363206082 655391537 /nfs/dbraw/zinc/39/15/37/655391537.db2.gz BIQFTGWQEGMQSR-HUUCEWRRSA-N 1 0 382.302 2.754 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)[C@H]2CCCN2C(=O)c2ccc(Cl)s2)C[N@@H+]1C1CC1 ZINC000365917164 655396634 /nfs/dbraw/zinc/39/66/34/655396634.db2.gz CVXFMHOGTBGMRO-YRGRVCCFSA-N 1 0 381.929 2.748 20 0 GFADRO O=S(=O)(NCC[NH2+]Cc1c([O-])ccc(Cl)c1F)c1ccc(Cl)s1 ZINC000191466620 655398891 /nfs/dbraw/zinc/39/88/91/655398891.db2.gz QSKNSYBLTMVNOD-UHFFFAOYSA-N 1 0 399.296 2.968 20 0 GFADRO [NH3+]C1(CNC(=O)N(CCO)Cc2cccc(Br)c2)CCCCC1 ZINC000418322015 655405464 /nfs/dbraw/zinc/40/54/64/655405464.db2.gz SGCMBNPAYFVGRF-UHFFFAOYSA-N 1 0 384.318 2.615 20 0 GFADRO C[C@@H](CNC(=O)C(=O)N1CC[C@]2(CCC[NH2+]2)C1)c1c(Cl)cccc1Cl ZINC000419515791 655407064 /nfs/dbraw/zinc/40/70/64/655407064.db2.gz JRXLOQQSJNIGFB-KPZWWZAWSA-N 1 0 384.307 2.568 20 0 GFADRO O=S(=O)(c1cc(Br)sc1Cl)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000420476908 655407494 /nfs/dbraw/zinc/40/74/94/655407494.db2.gz RRMYDUXVRBWONP-LLVKDONJSA-N 1 0 385.736 2.681 20 0 GFADRO C[NH2+][C@H]1CCCN(S(=O)(=O)c2cc(Cl)c(Br)cc2F)C1 ZINC000193332481 655409617 /nfs/dbraw/zinc/40/96/17/655409617.db2.gz SXVCSGITJFFWBQ-QMMMGPOBSA-N 1 0 385.686 2.614 20 0 GFADRO C[NH+](C)C1CCN(C(=O)C(=O)Nc2ccccc2SC(F)(F)F)CC1 ZINC000193736227 655412119 /nfs/dbraw/zinc/41/21/19/655412119.db2.gz MSECXOCKQVXHQK-UHFFFAOYSA-N 1 0 375.416 2.790 20 0 GFADRO C[C@H]1CCC[N@H+](CCNC(=O)c2ccc(I)c(F)c2)C1 ZINC000517820165 655418739 /nfs/dbraw/zinc/41/87/39/655418739.db2.gz DJLUCPFAGQNHON-NSHDSACASA-N 1 0 390.240 2.892 20 0 GFADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)Oc1ccc(F)c(Cl)c1 ZINC000195327320 655420091 /nfs/dbraw/zinc/42/00/91/655420091.db2.gz CMWYWMDJWUAZLZ-UHFFFAOYSA-N 1 0 375.853 2.622 20 0 GFADRO O[C@H](C[NH2+]C[C@H]1CSCCS1)COc1cccc(Br)c1 ZINC000229602121 655423313 /nfs/dbraw/zinc/42/33/13/655423313.db2.gz RXESMGMPCFXEMQ-OCCSQVGLSA-N 1 0 378.357 2.627 20 0 GFADRO C[C@H](NC(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1)c1ncc(Br)cn1 ZINC000562670613 655423757 /nfs/dbraw/zinc/42/37/57/655423757.db2.gz IUUCSAVNCXGFQI-JSGCOSHPSA-N 1 0 396.333 2.673 20 0 GFADRO C[NH+]1CCC(N(CCO)C(=O)c2cc(Cl)ccc2Br)CC1 ZINC000234337655 655424260 /nfs/dbraw/zinc/42/42/60/655424260.db2.gz UYCOEEJKGYOTGN-UHFFFAOYSA-N 1 0 375.694 2.631 20 0 GFADRO CCC[N@H+](CC)C[C@H](C)NS(=O)(=O)c1ccc(F)cc1Br ZINC000566073583 655424780 /nfs/dbraw/zinc/42/47/80/655424780.db2.gz JBLCNQRGXBIZKI-NSHDSACASA-N 1 0 381.311 2.987 20 0 GFADRO CN(C1C[C@H]2CC[C@@H](C1)[NH2+]2)S(=O)(=O)/C=C/c1cccc(Br)c1 ZINC000237240448 655425939 /nfs/dbraw/zinc/42/59/39/655425939.db2.gz KBNAJESHCGXBIW-MTAHFOJPSA-N 1 0 385.327 2.964 20 0 GFADRO O=C1[C@@H]([NH2+]C[C@H](O)COCc2cccs2)CCN1c1ccccc1Cl ZINC000574191833 655426122 /nfs/dbraw/zinc/42/61/22/655426122.db2.gz IYMUHCDSILTPKH-BBRMVZONSA-N 1 0 380.897 2.674 20 0 GFADRO O=C(Nc1cc(F)c(I)c(F)c1)[C@@H]1CC12CC[NH2+]CC2 ZINC000237701128 655426571 /nfs/dbraw/zinc/42/65/71/655426571.db2.gz MXRLJCGIKNUGCX-VIFPVBQESA-N 1 0 392.187 2.898 20 0 GFADRO O=C(CN1C(=S)N=NC1c1cccs1)NCC[NH2+]C1CCCCCC1 ZINC000237997794 655426807 /nfs/dbraw/zinc/42/68/07/655426807.db2.gz VOGGBPAUNHMZCK-UHFFFAOYSA-N 1 0 379.555 2.724 20 0 GFADRO Cc1c(Br)cccc1S(=O)(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000574277716 655427829 /nfs/dbraw/zinc/42/78/29/655427829.db2.gz ZUZFYOXGXLZCDL-UHFFFAOYSA-N 1 0 387.343 2.912 20 0 GFADRO CS(=O)(=O)N1CCC[C@@H]1C[NH2+]Cc1cc2cc(Br)ccc2o1 ZINC000574339332 655429343 /nfs/dbraw/zinc/42/93/43/655429343.db2.gz FGZFBVIBVZJXNS-CYBMUJFWSA-N 1 0 387.299 2.709 20 0 GFADRO C[C@@H]([NH2+][C@H]1CCC[C@@H](C)C1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000246970469 655430863 /nfs/dbraw/zinc/43/08/63/655430863.db2.gz JCROZLHBTNAPEF-FMKPAKJESA-N 1 0 388.555 2.642 20 0 GFADRO O[C@@H](C[NH2+][C@@H]1CCCC12CC2)COc1ccc(I)cc1 ZINC000575073039 655435117 /nfs/dbraw/zinc/43/51/17/655435117.db2.gz OVNSEQAVZTXWMM-DZGCQCFKSA-N 1 0 387.261 2.953 20 0 GFADRO CC[NH+]1CCC(CNC(=O)c2ccc(F)c(I)c2)CC1 ZINC000575178804 655436816 /nfs/dbraw/zinc/43/68/16/655436816.db2.gz NRWXDVPJDXNCCV-UHFFFAOYSA-N 1 0 390.240 2.892 20 0 GFADRO O=C(C[C@@H]1Sc2ccc(Cl)cc2NC1=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000575804110 655437474 /nfs/dbraw/zinc/43/74/74/655437474.db2.gz DPIUVHUAAJZNBR-MAUKXSAKSA-N 1 0 379.913 2.745 20 0 GFADRO CC[C@@H](C)[N@H+](C)CCNC(=O)N(C)C[C@H](O)c1cccc(Br)c1 ZINC000840284349 661151528 /nfs/dbraw/zinc/15/15/28/661151528.db2.gz JYKOMWFTFMFCRM-CJNGLKHVSA-N 1 0 386.334 2.854 20 0 GFADRO CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1([NH3+])C(=O)Nc1cnc2c(Br)cccn12 ZINC000575986446 655441644 /nfs/dbraw/zinc/44/16/44/655441644.db2.gz FGHWQEPBSRQTPP-MNRXQERYSA-N 1 0 393.285 2.568 20 0 GFADRO O=S(=O)(Cc1ccc(Cl)cc1Br)NC[C@@H]1CCC[NH2+]C1 ZINC000576158833 655444646 /nfs/dbraw/zinc/44/46/46/655444646.db2.gz CSRBGBVDCCVPIK-SNVBAGLBSA-N 1 0 381.723 2.522 20 0 GFADRO CN(C(=O)c1cc(I)cc(C(F)(F)F)c1)[C@H]1CC[NH2+]C1 ZINC000262638976 655446546 /nfs/dbraw/zinc/44/65/46/655446546.db2.gz RDKKQUQSJNXDHO-NSHDSACASA-N 1 0 398.166 2.744 20 0 GFADRO OC[C@H](CC1CCC1)[NH2+]C[C@H](O)COc1ccc(Cl)cc1Br ZINC000576466720 655447882 /nfs/dbraw/zinc/44/78/82/655447882.db2.gz WYHFWFJEISTMMW-KBPBESRZSA-N 1 0 392.721 2.983 20 0 GFADRO C[C@@H]1CSc2ccc(Br)cc2[C@H]1[NH2+]CCCn1cc(CO)nn1 ZINC000577029307 655456448 /nfs/dbraw/zinc/45/64/48/655456448.db2.gz ZSXDSCWRCRKXFO-BZNIZROVSA-N 1 0 397.342 2.996 20 0 GFADRO Cc1cc(F)c(Br)cc1S(=O)(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000577063302 655456898 /nfs/dbraw/zinc/45/68/98/655456898.db2.gz FERXYDGICDIANR-GHMZBOCLSA-N 1 0 379.295 2.692 20 0 GFADRO N[C@](C(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1)(c1cccc(Cl)c1)C(F)(F)F ZINC000577372684 655458031 /nfs/dbraw/zinc/45/80/31/655458031.db2.gz KUGAGAVZMMGNDP-LZWOXQAQSA-N 1 0 375.822 2.561 20 0 GFADRO O=C(NCC1([NH+]2CCCC2)CCOCC1)c1ccc(F)cc1Br ZINC000264212237 655458962 /nfs/dbraw/zinc/45/89/62/655458962.db2.gz FYHFDVFNMJNERX-UHFFFAOYSA-N 1 0 385.277 2.963 20 0 GFADRO O[C@H](C[N@@H+]1CCC[C@H](c2nnc3n2CCC3)C1)c1ccc(Br)cc1 ZINC000264234193 655459461 /nfs/dbraw/zinc/45/94/61/655459461.db2.gz SQSKJZDWJQLWMF-GOEBONIOSA-N 1 0 391.313 2.900 20 0 GFADRO O=C(NCC1([NH+]2CCCC2)CCOCC1)Nc1nc(C(F)(F)F)cs1 ZINC000264310725 655460607 /nfs/dbraw/zinc/46/06/07/655460607.db2.gz LPHCJGLHNXDOIS-UHFFFAOYSA-N 1 0 378.420 2.928 20 0 GFADRO CC[NH2+]CCCNC(=O)Nc1cc(Br)cc(C(=O)N2CCCC2)c1 ZINC000577482506 655460741 /nfs/dbraw/zinc/46/07/41/655460741.db2.gz FDSOYQCAQUTNQF-UHFFFAOYSA-N 1 0 397.317 2.806 20 0 GFADRO CCN(Cc1ccccc1Br)C(=O)N[C@H](C)CN1CC[NH+](C)CC1 ZINC000264324558 655460974 /nfs/dbraw/zinc/46/09/74/655460974.db2.gz BTWKMYIKIMBBMF-OAHLLOKOSA-N 1 0 397.361 2.617 20 0 GFADRO CCC[N@H+](CCC(=O)Nc1c(Cl)cccc1Cl)[C@@H]1CC(=O)N(C)C1=O ZINC000577589885 655462760 /nfs/dbraw/zinc/46/27/60/655462760.db2.gz UIEHEXMNVSRDFU-CYBMUJFWSA-N 1 0 386.279 2.791 20 0 GFADRO Cn1cnc(CCNC(=O)N[C@H]2C[C@H](c3ccc(Br)cc3)C2)c1 ZINC000577704725 655465180 /nfs/dbraw/zinc/46/51/80/655465180.db2.gz NEJSBRXEXDRNGD-SAZUREKKSA-N 1 0 377.286 2.971 20 0 GFADRO C[NH+]1CCN(c2ccc(Br)cc2NC(=O)Cc2cccnc2)CC1 ZINC000264606221 655466996 /nfs/dbraw/zinc/46/69/96/655466996.db2.gz ARCZBTUWQSRXRC-UHFFFAOYSA-N 1 0 389.297 2.777 20 0 GFADRO C[C@@H](C[NH2+]C[C@@H](c1ccccc1)N1CCc2sccc2C1)S(C)(=O)=O ZINC000577818768 655467724 /nfs/dbraw/zinc/46/77/24/655467724.db2.gz YQNNJCSQMHWBTJ-YJBOKZPZSA-N 1 0 378.563 2.870 20 0 GFADRO CCc1ccccc1[C@@H]([NH3+])CNC(=O)Nc1ccnc(C)c1Br ZINC000577940787 655469923 /nfs/dbraw/zinc/46/99/23/655469923.db2.gz WTNAPJLIYOIUTB-AWEZNQCLSA-N 1 0 377.286 2.958 20 0 GFADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)CSc1cccc2cccc(Cl)c21 ZINC000264771322 655470115 /nfs/dbraw/zinc/47/01/15/655470115.db2.gz VKTULHAZGXVPCI-HNNXBMFYSA-N 1 0 377.941 2.947 20 0 GFADRO O=C(C[C@H]1CSCC[NH2+]1)NCCc1cc(Cl)ccc1Br ZINC000578315471 655476493 /nfs/dbraw/zinc/47/64/93/655476493.db2.gz STQQLBYQPQAMTR-LBPRGKRZSA-N 1 0 377.735 2.856 20 0 GFADRO C[C@@H](CNC(=O)[C@H](C)Oc1cccc(Cl)c1Cl)C[NH+]1CCN(C)CC1 ZINC000265060220 655476787 /nfs/dbraw/zinc/47/67/87/655476787.db2.gz QOLQFCWLBZYKGU-KBPBESRZSA-N 1 0 388.339 2.760 20 0 GFADRO C[NH+](C)C1(CNc2ccc(F)cc2S(=O)(=O)C(F)(F)F)CCOCC1 ZINC000265081316 655477056 /nfs/dbraw/zinc/47/70/56/655477056.db2.gz RIMZJXSEMGDBDJ-UHFFFAOYSA-N 1 0 384.395 2.642 20 0 GFADRO C[C@H]([NH2+]C[C@H](O)COc1ccc(Br)cc1)[C@@H](O)Cc1ccccc1 ZINC000578359361 655477096 /nfs/dbraw/zinc/47/70/96/655477096.db2.gz WHFNQNQXAATHJO-FNHZYXHNSA-N 1 0 394.309 2.771 20 0 GFADRO C[C@H]([NH2+]C[C@@H](O)COc1ccc(Br)cc1)[C@H](O)Cc1ccccc1 ZINC000578359362 655477131 /nfs/dbraw/zinc/47/71/31/655477131.db2.gz WHFNQNQXAATHJO-POZUXBRTSA-N 1 0 394.309 2.771 20 0 GFADRO CC(C)Sc1c(Cl)cccc1NC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000578380743 655477583 /nfs/dbraw/zinc/47/75/83/655477583.db2.gz GHPXOZWDPAFNQH-AAEUAGOBSA-N 1 0 382.917 2.616 20 0 GFADRO C[N@H+](CC(=O)NCC(=O)Nc1ccccc1Br)C1CC(C)(C)C1 ZINC000578440510 655479102 /nfs/dbraw/zinc/47/91/02/655479102.db2.gz ILTSSJBTWFYTMF-UHFFFAOYSA-N 1 0 382.302 2.624 20 0 GFADRO CSc1ccc(OC[C@@H](O)C[NH+]2CCC([C@H](O)C(F)(F)F)CC2)cc1 ZINC000578441712 655479159 /nfs/dbraw/zinc/47/91/59/655479159.db2.gz IBXUUUNYOWKHHD-BBRMVZONSA-N 1 0 379.444 2.783 20 0 GFADRO COCCC[NH+]1CCC(Nc2ccc(I)cn2)CC1 ZINC000578563921 655481852 /nfs/dbraw/zinc/48/18/52/655481852.db2.gz XRJLEGLVSHFXPN-UHFFFAOYSA-N 1 0 375.254 2.599 20 0 GFADRO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1cccc(C2SCCS2)c1 ZINC000265411542 655482980 /nfs/dbraw/zinc/48/29/80/655482980.db2.gz XKOARHSRGGZRNA-ZDUSSCGKSA-N 1 0 381.567 2.950 20 0 GFADRO COc1cc(Br)ccc1[C@H](C)NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC000578641790 655483727 /nfs/dbraw/zinc/48/37/27/655483727.db2.gz LIZFFDLDBFMSMM-LBPRGKRZSA-N 1 0 395.301 2.707 20 0 GFADRO O[C@H](CN1CC[NH+](CC2CCOCC2)CC1)c1ccc(Br)cc1 ZINC000265510281 655484790 /nfs/dbraw/zinc/48/47/90/655484790.db2.gz PAFFQAMGOPIECT-GOSISDBHSA-N 1 0 383.330 2.527 20 0 GFADRO CCCN(C(=O)c1ncc(Br)cc1Br)[C@@H]1CC[NH2+]C1 ZINC000578739641 655486040 /nfs/dbraw/zinc/48/60/40/655486040.db2.gz FWRVONXVSBIEKC-SNVBAGLBSA-N 1 0 391.107 2.821 20 0 GFADRO O=S(=O)(c1ccc(OC(F)F)c(F)c1)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000578746290 655486213 /nfs/dbraw/zinc/48/62/13/655486213.db2.gz KWOKQLABCFAQEX-UONOGXRCSA-N 1 0 378.416 2.722 20 0 GFADRO CSC1(CNC(=O)c2csc(Nc3ccccn3)n2)CC[NH+](C)CC1 ZINC000578778519 655486847 /nfs/dbraw/zinc/48/68/47/655486847.db2.gz ZEXXOLLGFGMCIW-UHFFFAOYSA-N 1 0 377.539 2.839 20 0 GFADRO C[N@@H+]1CCCC[C@H]1CCOC(=O)c1cc(S(N)(=O)=O)cc(Cl)c1Cl ZINC000840229712 661148821 /nfs/dbraw/zinc/14/88/21/661148821.db2.gz DQLRQGYHJPOIMS-JTQLQIEISA-N 1 0 395.308 2.672 20 0 GFADRO COC[C@H]1CC[N@H+](C[C@@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000265757228 655490116 /nfs/dbraw/zinc/49/01/16/655490116.db2.gz GOOJDHXWVCGHQY-WCQYABFASA-N 1 0 378.694 2.811 20 0 GFADRO O=C(NCCc1ccc(F)c(Br)c1)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000578969102 655490298 /nfs/dbraw/zinc/49/02/98/655490298.db2.gz DPXZGPUQBSVXMY-MGPQQGTHSA-N 1 0 384.293 2.818 20 0 GFADRO COC[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2cccc(I)c2)C1 ZINC000265844291 655491821 /nfs/dbraw/zinc/49/18/21/655491821.db2.gz XMKFULNZXVVBOL-NWDGAFQWSA-N 1 0 388.249 2.587 20 0 GFADRO C[C@H](O)C[N@@H+]1CCN(Cc2cnn(-c3ccc(Br)cc3)c2)[C@@H](C)C1 ZINC000579032311 655492238 /nfs/dbraw/zinc/49/22/38/655492238.db2.gz COHJHTSCAIQNON-GJZGRUSLSA-N 1 0 393.329 2.522 20 0 GFADRO C[C@@H]1CCC[N@H+](CCNC(=O)N(C)C[C@@H](O)c2cccc(Br)c2)C1 ZINC000840253662 661149851 /nfs/dbraw/zinc/14/98/51/661149851.db2.gz QCHOLAKULGJDOB-RHSMWYFYSA-N 1 0 398.345 2.856 20 0 GFADRO CC[C@H]1C[N@H+](C)CCN1CC(=O)Nc1c(Cl)cc(Cl)cc1C(=O)OC ZINC000579230043 655496076 /nfs/dbraw/zinc/49/60/76/655496076.db2.gz VZYFAFJCCSBCQZ-LBPRGKRZSA-N 1 0 388.295 2.745 20 0 GFADRO CN(C[C@H](O)c1cccc(Br)c1)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000840256757 661150108 /nfs/dbraw/zinc/15/01/08/661150108.db2.gz WTGDLMXRPBEMJW-ULQDDVLXSA-N 1 0 396.329 2.751 20 0 GFADRO C[C@@H]1Cc2cc(S(=O)(=O)N3C[C@H]([NH3+])Cc4ccccc43)cc(Cl)c2O1 ZINC000579450710 655499949 /nfs/dbraw/zinc/49/99/49/655499949.db2.gz KIAOVINESAZEHB-BXUZGUMPSA-N 1 0 378.881 2.742 20 0 GFADRO COCC1(C[NH2+]C[C@H](O)COc2cc(F)cc(Br)c2)CCC1 ZINC000579583984 655501747 /nfs/dbraw/zinc/50/17/47/655501747.db2.gz VAPCIGZZZBUWCA-AWEZNQCLSA-N 1 0 376.266 2.734 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1CN1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000579592451 655501903 /nfs/dbraw/zinc/50/19/03/655501903.db2.gz UKZFTAQOLSGHJV-GJZGRUSLSA-N 1 0 375.314 2.985 20 0 GFADRO CC1CC[NH+](C[C@H](O)CNC(=O)[C@@H]2CCc3cc(Br)ccc32)CC1 ZINC000579596787 655502003 /nfs/dbraw/zinc/50/20/03/655502003.db2.gz LWWHMNFCIYEXPN-SJLPKXTDSA-N 1 0 395.341 2.688 20 0 GFADRO C[C@@H]1CC[NH2+][C@@H](C(=O)N2CCN(C(=O)c3cc4sccc4s3)CC2)C1 ZINC000579822464 655504284 /nfs/dbraw/zinc/50/42/84/655504284.db2.gz RTLBBFSWUJGVMJ-CHWSQXEVSA-N 1 0 377.535 2.635 20 0 GFADRO CSc1ccc([C@@H](CNC(=O)Cn2cc(Br)cn2)[NH+](C)C)cc1 ZINC000580002266 655506520 /nfs/dbraw/zinc/50/65/20/655506520.db2.gz QNLLQBOITDNPIK-OAHLLOKOSA-N 1 0 397.342 2.787 20 0 GFADRO O=C(NCc1ccc(Cl)cc1Cl)C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000580082654 655508206 /nfs/dbraw/zinc/50/82/06/655508206.db2.gz MZDZAWOOBRSMPI-UHFFFAOYSA-N 1 0 384.307 2.696 20 0 GFADRO CC[NH+](CC)CCS(=O)(=O)N[C@](C)(CC)COc1ncccc1Cl ZINC000580133712 655508793 /nfs/dbraw/zinc/50/87/93/655508793.db2.gz WTDIDGAJMYMPLK-MRXNPFEDSA-N 1 0 377.938 2.544 20 0 GFADRO O=S1(=O)CCC(CC[NH2+]C[C@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000580182654 655509481 /nfs/dbraw/zinc/50/94/81/655509481.db2.gz ACFACLOQHXNQSA-AWEZNQCLSA-N 1 0 396.336 2.538 20 0 GFADRO C[NH+]1CCN(Cc2ccc(NC(=O)C(=O)c3ccc(Cl)s3)cc2)CC1 ZINC000580269350 655510649 /nfs/dbraw/zinc/51/06/49/655510649.db2.gz OVXDJRDCXOZXQX-UHFFFAOYSA-N 1 0 377.897 2.970 20 0 GFADRO CC(C)[NH+]1CCN([C@H]2CCN(c3nc(C4CC4)ncc3Br)C2)CC1 ZINC000596157773 655514257 /nfs/dbraw/zinc/51/42/57/655514257.db2.gz FOHRMBWULBNNOS-HNNXBMFYSA-N 1 0 394.361 2.721 20 0 GFADRO CS[C@@H]1CN(c2nnc3ccc(Br)cn32)C[C@@H]1[NH+]1CCCC1 ZINC000596197086 655514894 /nfs/dbraw/zinc/51/48/94/655514894.db2.gz QGRSBRJVGCFMPP-QWHCGFSZSA-N 1 0 382.331 2.508 20 0 GFADRO O=C(NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1nc(Cl)ccc1Cl ZINC000702627252 655521704 /nfs/dbraw/zinc/52/17/04/655521704.db2.gz QOJULCANXCPIHE-SFHVURJKSA-N 1 0 380.275 2.755 20 0 GFADRO CCC1([NH3+])CCN(S(=O)(=O)c2ccc(Br)cc2Cl)CC1 ZINC000714327362 655522845 /nfs/dbraw/zinc/52/28/45/655522845.db2.gz WIWXIYARFOIDQF-UHFFFAOYSA-N 1 0 381.723 2.995 20 0 GFADRO C[C@@H]([NH2+]CC[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O)c1ccsc1 ZINC000721751552 655525093 /nfs/dbraw/zinc/52/50/93/655525093.db2.gz HDNJMVQVRDZKFK-UKRRQHHQSA-N 1 0 388.555 2.823 20 0 GFADRO C[NH+](C)CC(C)(C)CNC(=S)NCCOc1cccc(Br)c1 ZINC000727077429 655541401 /nfs/dbraw/zinc/54/14/01/655541401.db2.gz GSUHYNRCQOUIIE-UHFFFAOYSA-N 1 0 388.375 2.880 20 0 GFADRO Cc1ccc[n+](C(C(=O)c2cc(Cl)ccc2Cl)C(=S)NCC(N)=O)c1 ZINC000727161599 655542328 /nfs/dbraw/zinc/54/23/28/655542328.db2.gz PGQSRIFEQMJGFO-UHFFFAOYSA-O 1 0 397.307 2.875 20 0 GFADRO O=S(=O)(/C=C\c1ccccc1Br)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000727456171 655545969 /nfs/dbraw/zinc/54/59/69/655545969.db2.gz HXOSYYPCEQDISC-LDCOFTPGSA-N 1 0 385.327 2.920 20 0 GFADRO CC(C)[N@H+](C)C[C@H](C)NC(=O)N(C)C[C@@H](O)c1cccc(Br)c1 ZINC000840375922 661158607 /nfs/dbraw/zinc/15/86/07/661158607.db2.gz UWTCUCDVSCRKCE-XJKSGUPXSA-N 1 0 386.334 2.853 20 0 GFADRO CN(C[C@@H](O)c1cccc(Br)c1)C(=O)NCCCC[N@H+](C)C1CC1 ZINC000840388000 661159733 /nfs/dbraw/zinc/15/97/33/661159733.db2.gz DSRYMQNKSRCVOJ-QGZVFWFLSA-N 1 0 398.345 2.998 20 0 GFADRO C[C@@H]([NH2+][C@@H](C)C(=O)N(C)[C@H]1CCS(=O)(=O)C1)c1csc2ccccc21 ZINC000730021589 655571022 /nfs/dbraw/zinc/57/10/22/655571022.db2.gz JBESQPDKOIHASI-RDBSUJKOSA-N 1 0 380.535 2.586 20 0 GFADRO CC(C)[C@H](C[NH+](C)C)NC(=O)c1cnn(-c2cccc(Br)c2)c1 ZINC000730289948 655573249 /nfs/dbraw/zinc/57/32/49/655573249.db2.gz LEGDEBNFYHEOGV-INIZCTEOSA-N 1 0 379.302 2.951 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CNC(=S)NC[C@@H](O)c1cccc(C(F)(F)F)c1 ZINC000730734764 655577581 /nfs/dbraw/zinc/57/75/81/655577581.db2.gz OVFXBGXEYVIIDW-HUUCEWRRSA-N 1 0 375.460 2.687 20 0 GFADRO O=S(=O)(/C=C\c1ccccc1Br)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000731038611 655580836 /nfs/dbraw/zinc/58/08/36/655580836.db2.gz HRFJJQMGMVMZJS-WKTRQSJXSA-N 1 0 385.327 2.824 20 0 GFADRO O=S(=O)(/C=C/c1ccccc1Br)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000731038609 655580889 /nfs/dbraw/zinc/58/08/89/655580889.db2.gz HRFJJQMGMVMZJS-HQPKTYMTSA-N 1 0 385.327 2.824 20 0 GFADRO C[N@@H+]1CCCN(CCCNC(=O)CSc2nc3ccccc3s2)CC1 ZINC000733882929 655622565 /nfs/dbraw/zinc/62/25/65/655622565.db2.gz YRVFYWMXXLEHFS-UHFFFAOYSA-N 1 0 378.567 2.532 20 0 GFADRO O=C(C1CC1)N1CCC([NH2+]Cc2nc3ccccn3c2Br)CC1 ZINC000733902356 655623309 /nfs/dbraw/zinc/62/33/09/655623309.db2.gz QUADSYYDFBUXSK-UHFFFAOYSA-N 1 0 377.286 2.587 20 0 GFADRO CC[C@@H](NC(=S)NCCCC[NH+]1CCC(C(N)=O)CC1)c1cccs1 ZINC000734376814 655630066 /nfs/dbraw/zinc/63/00/66/655630066.db2.gz ZGHGEURATOCBGR-OAHLLOKOSA-N 1 0 382.599 2.641 20 0 GFADRO CN(CC[NH+]1CCCC1)C(=O)Nc1cc2c(cc1Br)OCCO2 ZINC000735861169 655654104 /nfs/dbraw/zinc/65/41/04/655654104.db2.gz WSRBBKZKDWLDBC-UHFFFAOYSA-N 1 0 384.274 2.780 20 0 GFADRO C[N@@H+]1CCC[C@H](CNC(=O)C(=O)Nc2cccc(C3SCCS3)c2)C1 ZINC000735887222 655654633 /nfs/dbraw/zinc/65/46/33/655654633.db2.gz PUGPVGMYTZSWPG-CYBMUJFWSA-N 1 0 379.551 2.562 20 0 GFADRO CC(C)[NH+]1CCC(NC(=O)COC(=O)CSc2ccccc2Cl)CC1 ZINC000735959270 655656074 /nfs/dbraw/zinc/65/60/74/655656074.db2.gz DBCDJZRAZLXUBV-UHFFFAOYSA-N 1 0 384.929 2.964 20 0 GFADRO C[C@@H]1C[C@@H](N(C)C(=S)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)CC[N@@H+]1C ZINC000736229424 655660391 /nfs/dbraw/zinc/66/03/91/655660391.db2.gz QKNSJLUTEROFJY-PWSUYJOCSA-N 1 0 379.921 2.631 20 0 GFADRO C[C@@H](CNC(=O)C(=O)Nc1cc(Br)ccc1F)[NH+]1CCCCC1 ZINC000737139289 655669053 /nfs/dbraw/zinc/66/90/53/655669053.db2.gz NLBJDCJRHHGAQS-NSHDSACASA-N 1 0 386.265 2.517 20 0 GFADRO CCc1ccc(CN2CCN(C(=S)NC[C@@H]3CCC[N@H+]3CC)CC2)s1 ZINC000737453332 655672432 /nfs/dbraw/zinc/67/24/32/655672432.db2.gz UTSFFIKHIPBVQW-INIZCTEOSA-N 1 0 380.627 2.787 20 0 GFADRO Cc1nc(-c2ccc(Br)cc2)nn1CN1CC[C@H](C[NH+](C)C)C1 ZINC000738221799 655687413 /nfs/dbraw/zinc/68/74/13/655687413.db2.gz CNCZFVNKAUNIEO-CQSZACIVSA-N 1 0 378.318 2.857 20 0 GFADRO CN(CCCC[NH+](C)C)C(=O)CN1C(=S)N=NC1c1ccc(Cl)cc1 ZINC000740746775 655698590 /nfs/dbraw/zinc/69/85/90/655698590.db2.gz MGVPGWLQPRICNL-UHFFFAOYSA-N 1 0 381.933 2.687 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CNC(=S)NC[C@@H](O)c1c(Cl)cccc1Cl ZINC000740769962 655699019 /nfs/dbraw/zinc/69/90/19/655699019.db2.gz BLVJAQNWAKWRCQ-SMDDNHRTSA-N 1 0 376.353 2.975 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2cc(C(=O)OC)ccc2Cl)C[C@@H]1C ZINC000740893882 655700509 /nfs/dbraw/zinc/70/05/09/655700509.db2.gz FMJUEKVANTUSFZ-GXTWGEPZSA-N 1 0 388.917 2.620 20 0 GFADRO CC[C@H](C(=O)OCc1nnnn1-c1ccccc1Br)[NH+](CC)CC ZINC000741033905 655702390 /nfs/dbraw/zinc/70/23/90/655702390.db2.gz VUGPVLFMPJXDBG-CYBMUJFWSA-N 1 0 396.289 2.588 20 0 GFADRO COCCC[N@H+](C)CCNC(=O)[C@@H]1CC(c2ccc(Cl)cc2Cl)=NO1 ZINC000741726099 655707474 /nfs/dbraw/zinc/70/74/74/655707474.db2.gz DODUIXQASVHNLU-INIZCTEOSA-N 1 0 388.295 2.571 20 0 GFADRO CCCS(=O)(=O)N1CCC([NH2+]Cc2ccc(OCC(F)F)cc2)CC1 ZINC000742367077 655717335 /nfs/dbraw/zinc/71/73/35/655717335.db2.gz JDVOCIOWTWVMNW-UHFFFAOYSA-N 1 0 376.469 2.624 20 0 GFADRO CC[NH+](CC)C[C@@H]1CCN(Cn2c3ccc(Br)cc3oc2=O)C1 ZINC000743387406 655728436 /nfs/dbraw/zinc/72/84/36/655728436.db2.gz IGSCHGMAAPCIFM-ZDUSSCGKSA-N 1 0 382.302 2.978 20 0 GFADRO CCCCOCCC[NH2+]Cc1c(C)nn([C@@H]2CCS(=O)(=O)C2)c1Cl ZINC000743538502 655729860 /nfs/dbraw/zinc/72/98/60/655729860.db2.gz MIMVRISHHHWFQX-CQSZACIVSA-N 1 0 377.938 2.501 20 0 GFADRO COC[C@H](C)NC(=S)N(CC[NH+](C)C)Cc1cccc(C(F)(F)F)c1 ZINC000743581087 655730107 /nfs/dbraw/zinc/73/01/07/655730107.db2.gz ZIYDSFDARUINMD-ZDUSSCGKSA-N 1 0 377.476 2.978 20 0 GFADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)N[C@H]1COc2c1ccc(Cl)c2Cl ZINC000743682082 655730755 /nfs/dbraw/zinc/73/07/55/655730755.db2.gz FPLJPBBZEMJGMJ-WDMOLILDSA-N 1 0 386.279 2.589 20 0 GFADRO CCN(CC)S(=O)(=O)c1cc(NC(=O)C[N@H+](C)C2CCC2)ccc1Cl ZINC000744410148 655739886 /nfs/dbraw/zinc/73/98/86/655739886.db2.gz PJAHPHBDZGFDKM-UHFFFAOYSA-N 1 0 387.933 2.793 20 0 GFADRO O=S(=O)(N1CCC(C[NH2+][C@@H]2CCc3c2cccc3F)CC1)C(F)(F)F ZINC000747816032 655783793 /nfs/dbraw/zinc/78/37/93/655783793.db2.gz QHVNTJYEBIEREI-OAHLLOKOSA-N 1 0 380.407 2.964 20 0 GFADRO CCOC(=O)c1nn(C[N@@H+]2CC[C@@H](COC)C2)c2ccc(Br)cc21 ZINC000748257803 655789238 /nfs/dbraw/zinc/78/92/38/655789238.db2.gz LFXOFFIVERVPEK-GFCCVEGCSA-N 1 0 396.285 2.901 20 0 GFADRO CCc1c(Cl)nc(CS(C)(=O)=O)nc1NC[C@@H](CC(C)C)[NH+](C)C ZINC000749093529 655799904 /nfs/dbraw/zinc/79/99/04/655799904.db2.gz WSZWYBMBMGVOJS-GFCCVEGCSA-N 1 0 376.954 2.625 20 0 GFADRO C[NH+](C)CCCOC1CCN(c2ccc(S(=O)(=O)C(F)F)cc2)CC1 ZINC000749103080 655800306 /nfs/dbraw/zinc/80/03/06/655800306.db2.gz WSNWHIGWYWCTMV-UHFFFAOYSA-N 1 0 376.469 2.620 20 0 GFADRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)c2cn(-c3ccccc3Br)nn2)C1 ZINC000749453194 655805175 /nfs/dbraw/zinc/80/51/75/655805175.db2.gz JODFIGBIACPYMP-OLZOCXBDSA-N 1 0 392.301 2.632 20 0 GFADRO COC(=O)c1nn(CN2CCC([NH+]3CCCCC3)CC2)c(C)c1Br ZINC000749662952 655806266 /nfs/dbraw/zinc/80/62/66/655806266.db2.gz SKEKMSKRNXHTTH-UHFFFAOYSA-N 1 0 399.333 2.648 20 0 GFADRO O=S(=O)(c1cc2ccc(Cl)nc2cc1F)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000750154141 655811720 /nfs/dbraw/zinc/81/17/20/655811720.db2.gz BXXRIRDHKWFCKL-CYBMUJFWSA-N 1 0 383.876 2.886 20 0 GFADRO COc1ccc(C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)c(Br)c1 ZINC000750728477 655816565 /nfs/dbraw/zinc/81/65/65/655816565.db2.gz PXKMWSSVFMMLQR-HNNXBMFYSA-N 1 0 397.313 2.831 20 0 GFADRO CSCCNC(=S)C(C(=O)c1ccc2c(c1)OCO2)[n+]1ccccc1 ZINC000751537601 655830677 /nfs/dbraw/zinc/83/06/77/655830677.db2.gz UVFXJPDFWNYRKF-UHFFFAOYSA-O 1 0 375.495 2.867 20 0 GFADRO COC(=O)c1cc(C[NH2+]C[C@@](O)(c2ccc(Cl)cc2)C(F)(F)F)c[nH]1 ZINC000753371587 655853139 /nfs/dbraw/zinc/85/31/39/655853139.db2.gz TVSHDXHZUWAAAN-OAHLLOKOSA-N 1 0 376.762 2.994 20 0 GFADRO CC(C)S(=O)(=O)CC[NH2+][C@@H](CNC(=O)OC(C)(C)C)C1CCCCC1 ZINC000754183197 655864958 /nfs/dbraw/zinc/86/49/58/655864958.db2.gz LPXKHGHGGRLFQE-INIZCTEOSA-N 1 0 376.563 2.873 20 0 GFADRO CNS(=O)(=O)c1cc(NC(=O)C[NH2+][C@H](C)c2ccc(C)s2)ccc1C ZINC000754669344 655871103 /nfs/dbraw/zinc/87/11/03/655871103.db2.gz HAUNMZUDVGSHST-CYBMUJFWSA-N 1 0 381.523 2.562 20 0 GFADRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)Nc1ccccc1I ZINC000757790223 655916766 /nfs/dbraw/zinc/91/67/66/655916766.db2.gz RTIQONXXUULOAH-HZMBPMFUSA-N 1 0 385.249 2.895 20 0 GFADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1cc(Br)cc2cccnc21 ZINC000758898760 655943201 /nfs/dbraw/zinc/94/32/01/655943201.db2.gz LBZWKLMKRWYRQH-LSDHHAIUSA-N 1 0 390.281 2.590 20 0 GFADRO COCCNC(=O)C1CC[NH+](C[C@H](O)c2ccc(Cl)cc2Cl)CC1 ZINC000759113268 655947838 /nfs/dbraw/zinc/94/78/38/655947838.db2.gz KGQZOMIYCZKPNI-INIZCTEOSA-N 1 0 375.296 2.501 20 0 GFADRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2cnn(C)c2Br)C1 ZINC000760198058 655972347 /nfs/dbraw/zinc/97/23/47/655972347.db2.gz QQBILHHLNXLILW-OCCSQVGLSA-N 1 0 377.286 2.748 20 0 GFADRO CC(C)[C@H](CC[N@H+](C)CC[C@@H]1CCS(=O)(=O)C1)NC(=O)OC(C)(C)C ZINC000760844462 655993052 /nfs/dbraw/zinc/99/30/52/655993052.db2.gz POFFQJQQBDFPNV-CVEARBPZSA-N 1 0 376.563 2.682 20 0 GFADRO CC(C)[C@H](CC[N@H+](C)CC[C@H]1CCS(=O)(=O)C1)NC(=O)OC(C)(C)C ZINC000760844470 655993112 /nfs/dbraw/zinc/99/31/12/655993112.db2.gz POFFQJQQBDFPNV-HOTGVXAUSA-N 1 0 376.563 2.682 20 0 GFADRO C[C@]1(c2cccc(Br)c2)NC(=O)N(C2CC[NH+](C3CC3)CC2)C1=O ZINC000760982110 655995376 /nfs/dbraw/zinc/99/53/76/655995376.db2.gz YYFZGZXPYWGUNX-GOSISDBHSA-N 1 0 392.297 2.843 20 0 GFADRO C[C@]1(c2cccc(Br)c2)NC(=O)N([C@@H]2CC[N@@H+]3CCC[C@H]3C2)C1=O ZINC000761077415 655998168 /nfs/dbraw/zinc/99/81/68/655998168.db2.gz QJSOAVIMZVCLMZ-HDMKZQKVSA-N 1 0 392.297 2.843 20 0 GFADRO CC[NH+]1CCC(CN2C(=O)N[C@H](c3ccc(Br)cc3)C2=O)CC1 ZINC000761118212 655999008 /nfs/dbraw/zinc/99/90/08/655999008.db2.gz GNNNXUZEGTYLKK-OAHLLOKOSA-N 1 0 380.286 2.774 20 0 GFADRO O=C(NCCCC[NH+]1CCN(Cc2ccccc2)CC1)C1SCCS1 ZINC000761146426 656000452 /nfs/dbraw/zinc/00/04/52/656000452.db2.gz REJLLULXZDZMRQ-UHFFFAOYSA-N 1 0 379.595 2.507 20 0 GFADRO COc1ccc([C@@H]2NC(=O)N([C@@H]3CC[N@H+](C)[C@H](C)C3)C2=O)cc1Br ZINC000761280636 656007308 /nfs/dbraw/zinc/00/73/08/656007308.db2.gz MYIBRMVYQDBVHZ-HCKVZZMMSA-N 1 0 396.285 2.533 20 0 GFADRO C[N@H+](CCNC(=O)N[C@@H]1CC[C@H]2SCCS[C@H]12)Cc1ccc(F)cc1 ZINC000762585468 656050450 /nfs/dbraw/zinc/05/04/50/656050450.db2.gz LXDHJEGQHDXWJA-BRWVUGGUSA-N 1 0 383.558 2.936 20 0 GFADRO COc1ccc2nc(Cl)ccc2c1S(=O)(=O)N(CC[NH+](C)C)C1CC1 ZINC000840952573 661218152 /nfs/dbraw/zinc/21/81/52/661218152.db2.gz PGHGQZAQKTWTJT-UHFFFAOYSA-N 1 0 383.901 2.612 20 0 GFADRO C[C@@H]([NH2+]C[C@H]1CC2(CC2)C(=O)O1)c1cc2c(cc1Br)OCCO2 ZINC000763739612 656092182 /nfs/dbraw/zinc/09/21/82/656092182.db2.gz WQDLJCIWVSSQAK-GHMZBOCLSA-N 1 0 382.254 2.967 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000764232233 656105390 /nfs/dbraw/zinc/10/53/90/656105390.db2.gz VERYDRFYDWTNND-CABCVRRESA-N 1 0 382.302 2.996 20 0 GFADRO O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000765044261 656127397 /nfs/dbraw/zinc/12/73/97/656127397.db2.gz VEVQDVJGAPTXPH-DLBZAZTESA-N 1 0 387.307 2.786 20 0 GFADRO CC[C@@H](NC(=O)C(=O)Nc1cccc(OCC[NH3+])c1)c1ccc(Cl)s1 ZINC000841037190 661229203 /nfs/dbraw/zinc/22/92/03/661229203.db2.gz ZDXVALAWFXAYGI-CYBMUJFWSA-N 1 0 381.885 2.945 20 0 GFADRO O=C1c2ccc(Br)cc2C(=O)N1C[N@@H+]1CCC[C@@H]1C1CCOCC1 ZINC000766089394 656161055 /nfs/dbraw/zinc/16/10/55/656161055.db2.gz TYCZWBGRDBIJLP-MRXNPFEDSA-N 1 0 393.281 2.894 20 0 GFADRO CS[C@@H]1CC[C@H]([NH2+][C@H](C)c2cccc(S(=O)(=O)N3CCOCC3)c2)C1 ZINC000766227550 656165683 /nfs/dbraw/zinc/16/56/83/656165683.db2.gz YFRQPFDETHXHQC-HYVNUMGLSA-N 1 0 384.567 2.642 20 0 GFADRO COc1cc([C@@H](C)[NH2+]CCN2CC[C@@H](C)C2)ccc1S(=O)(=O)C(F)F ZINC000766380000 656170105 /nfs/dbraw/zinc/17/01/05/656170105.db2.gz BKNYGWYRYOEWIS-CHWSQXEVSA-N 1 0 376.469 2.684 20 0 GFADRO CS(=O)(=O)N1CCC([NH2+][C@H](c2cccc(Cl)c2)c2ccccn2)CC1 ZINC000766600622 656177165 /nfs/dbraw/zinc/17/71/65/656177165.db2.gz OGAVLOOMUPNUKH-GOSISDBHSA-N 1 0 379.913 2.838 20 0 GFADRO C[C@H](NC(=O)C[N@H+](C)[C@@H]1CCSC1)[C@H](O)c1c(Cl)cccc1Cl ZINC000767088968 656193825 /nfs/dbraw/zinc/19/38/25/656193825.db2.gz QIWRVRPRIWZJAQ-USBNGQNGSA-N 1 0 377.337 2.969 20 0 GFADRO C[C@]1(C[NH3+])CCN(C(=O)Nc2cnc(Br)c(Br)c2)C1 ZINC000841141692 661237064 /nfs/dbraw/zinc/23/70/64/661237064.db2.gz HONGLSGSOSVRDV-GFCCVEGCSA-N 1 0 392.095 2.809 20 0 GFADRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)Nc1cnc(Br)c(Br)c1 ZINC000841142460 661237383 /nfs/dbraw/zinc/23/73/83/661237383.db2.gz PMTWQNXHGHHAOM-JGVFFNPUSA-N 1 0 392.095 2.808 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)Nc2cccc(Cl)c2SC(F)F)C1 ZINC000841205239 661244389 /nfs/dbraw/zinc/24/43/89/661244389.db2.gz BKWRDIRHYGFMCK-IUCAKERBSA-N 1 0 377.844 2.789 20 0 GFADRO C[C@@H](CCN1CC[NH+](C)CC1)NC(=S)Nc1cccc(Br)c1 ZINC000769761396 656290425 /nfs/dbraw/zinc/29/04/25/656290425.db2.gz WVXDFSWQAFZESB-ZDUSSCGKSA-N 1 0 385.375 2.762 20 0 GFADRO O=C(NC[C@@H](O)c1cccc(Br)c1)Nc1cccc2c1CC[NH2+]C2 ZINC000841308813 661251588 /nfs/dbraw/zinc/25/15/88/661251588.db2.gz RCHNYADRVPMTAC-QGZVFWFLSA-N 1 0 390.281 2.950 20 0 GFADRO CS[C@H]1CN(c2ccc(S(=O)(=O)C(F)(F)F)cc2)C[C@H]1[NH+]1CCCC1 ZINC000772576598 656383413 /nfs/dbraw/zinc/38/34/13/656383413.db2.gz HCMRZTJJGFESTN-CABCVRRESA-N 1 0 394.484 2.996 20 0 GFADRO C[N@@H+]1CCCN(CCCNC(=O)C[C@H](O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000772687444 656385913 /nfs/dbraw/zinc/38/59/13/656385913.db2.gz AAYNYMLRKWTJOF-KRWDZBQOSA-N 1 0 388.339 2.561 20 0 GFADRO COC(=O)CS(=O)(=O)Cc1ccc(C[NH2+][C@@H](C)Cc2cccs2)cc1 ZINC000773060655 656397955 /nfs/dbraw/zinc/39/79/55/656397955.db2.gz QYAZKANTAQRMSC-AWEZNQCLSA-N 1 0 381.519 2.557 20 0 GFADRO C[C@H]([NH2+][C@@H]1CC[C@@H]2SCCS[C@H]12)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000773131460 656400656 /nfs/dbraw/zinc/40/06/56/656400656.db2.gz AAKHLYFGDYJYJB-NKKGCODLSA-N 1 0 386.608 2.967 20 0 GFADRO CC[C@@H]([NH2+]CCOc1ccc(S(=O)(=O)C(F)(F)F)cc1)[C@@H]1CCOC1 ZINC000773133118 656400669 /nfs/dbraw/zinc/40/06/69/656400669.db2.gz QLWNJICYTQPLNX-IUODEOHRSA-N 1 0 381.416 2.764 20 0 GFADRO C[N@@H+]1CCC[C@H]2CN(Cn3c(=O)oc4cc(Br)c(F)cc43)CC[C@H]21 ZINC000773315102 656411154 /nfs/dbraw/zinc/41/11/54/656411154.db2.gz XTCGJSQHBIKNPN-SMDDNHRTSA-N 1 0 398.276 2.870 20 0 GFADRO CC(C)[C@@H]([NH2+]CC1CCN(S(=O)(=O)C(F)(F)F)CC1)c1cccnc1 ZINC000774414940 656527050 /nfs/dbraw/zinc/52/70/50/656527050.db2.gz VNMPUUFWCOCZOW-OAHLLOKOSA-N 1 0 379.448 2.930 20 0 GFADRO CC(C)[C@H]([NH2+]CCS(=O)(=O)N1CCOCC1)c1ccc(Cl)c(Cl)c1 ZINC000774439302 656528196 /nfs/dbraw/zinc/52/81/96/656528196.db2.gz SXYBTUIOYDNZEG-INIZCTEOSA-N 1 0 395.352 2.942 20 0 GFADRO COc1ccc([C@@H](O)C[NH2+]C[C@H](O)c2ccc(F)c(Br)c2)cc1 ZINC000774610903 656540406 /nfs/dbraw/zinc/54/04/06/656540406.db2.gz LBMOJPWOOWIXPR-IRXDYDNUSA-N 1 0 384.245 2.953 20 0 GFADRO O[C@H](C[NH2+][C@H]1CCCN(c2ncccn2)C1)c1ccc(F)c(Br)c1 ZINC000774614645 656541082 /nfs/dbraw/zinc/54/10/82/656541082.db2.gz KFYOFDPRONCISS-XJKSGUPXSA-N 1 0 395.276 2.670 20 0 GFADRO CC[NH+](CC)[C@@H](CNC(=O)C(=O)NC[C@@H]1CC1(Cl)Cl)c1ccsc1 ZINC000775152986 656604216 /nfs/dbraw/zinc/60/42/16/656604216.db2.gz QAENYRFICAZGRT-STQMWFEESA-N 1 0 392.352 2.557 20 0 GFADRO CS[C@H]1CN(S(=O)(=O)c2ccc3sc(Cl)nc3c2)C[C@H]1[NH+](C)C ZINC000841511297 661281436 /nfs/dbraw/zinc/28/14/36/661281436.db2.gz BJYQQEGOEHRMII-YPMHNXCESA-N 1 0 391.971 2.616 20 0 GFADRO O=C(c1cccc(C[NH2+][C@@H]2CC[C@@H]3SCCS[C@H]23)c1)N1CCOCC1 ZINC000775381891 656634577 /nfs/dbraw/zinc/63/45/77/656634577.db2.gz DXDMFUZJCLRSFP-FGTMMUONSA-N 1 0 378.563 2.628 20 0 GFADRO OC[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CC[C@H]2SCCS[C@@H]12 ZINC000775391017 656636214 /nfs/dbraw/zinc/63/62/14/656636214.db2.gz BMTFIFZCFLVMGN-OMZCGLGVSA-N 1 0 378.607 2.839 20 0 GFADRO C[C@H]1CCOCC[N@@H+]1C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000775567566 656649781 /nfs/dbraw/zinc/64/97/81/656649781.db2.gz JKFBZJCPSPJRQR-WCQYABFASA-N 1 0 378.694 2.953 20 0 GFADRO C[N@@H+](Cc1cccc(C(N)=O)c1)C[C@@H](O)c1ccc(F)c(Br)c1 ZINC000775576600 656650349 /nfs/dbraw/zinc/65/03/49/656650349.db2.gz CEJMBSMQGHQDBV-MRXNPFEDSA-N 1 0 381.245 2.853 20 0 GFADRO C[C@H]([NH2+]CCCCCS(C)(=O)=O)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000775584806 656650728 /nfs/dbraw/zinc/65/07/28/656650728.db2.gz ASEYWDHCRZQVRR-HNNXBMFYSA-N 1 0 376.563 2.827 20 0 GFADRO COC(=O)N1CCC[C@@H]([C@H](C)[NH2+]CC(=O)N(C)Cc2ccc(Cl)s2)C1 ZINC000775810372 656682324 /nfs/dbraw/zinc/68/23/24/656682324.db2.gz KMVJWKNFDVICRD-QWHCGFSZSA-N 1 0 387.933 2.816 20 0 GFADRO Cc1cnc(Br)cc1NC(=O)NC(C)(C)CC[NH+]1CCN(C)CC1 ZINC000776049237 656707796 /nfs/dbraw/zinc/70/77/96/656707796.db2.gz NWELKWYMUYXITR-UHFFFAOYSA-N 1 0 398.349 2.690 20 0 GFADRO CS[C@H]1CN(C(=O)c2cc(F)cc3[nH]c(=S)[nH]c32)C[C@H]1[NH+]1CCCC1 ZINC000776211225 656720615 /nfs/dbraw/zinc/72/06/15/656720615.db2.gz LMAPNWMVHMJVHC-KGLIPLIRSA-N 1 0 380.514 2.643 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)NC[C@H](C)[NH+]2CCCCC2)cc1Br ZINC000777127250 656812063 /nfs/dbraw/zinc/81/20/63/656812063.db2.gz CDLYTFGWJAUCKF-AWEZNQCLSA-N 1 0 396.329 2.995 20 0 GFADRO COC(=O)N1CCC([NH2+][C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)CC1 ZINC000777941866 656844981 /nfs/dbraw/zinc/84/49/81/656844981.db2.gz WYOGJXWQVCXWTP-OAHLLOKOSA-N 1 0 386.279 2.919 20 0 GFADRO C[NH+]1CCC(NC(=S)N2CCC(n3ccc(C(F)(F)F)n3)CC2)CC1 ZINC000778528450 656883660 /nfs/dbraw/zinc/88/36/60/656883660.db2.gz ZCJSOJIVLGVYPV-UHFFFAOYSA-N 1 0 375.464 2.508 20 0 GFADRO Ic1ccccc1C[NH+]1CCC(Cn2cncn2)CC1 ZINC000779190725 656904591 /nfs/dbraw/zinc/90/45/91/656904591.db2.gz FZUJXCJOKXETAC-UHFFFAOYSA-N 1 0 382.249 2.795 20 0 GFADRO C[C@H]([C@H](C)S(C)(=O)=O)[N@H+](C)CC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000779479541 656929403 /nfs/dbraw/zinc/92/94/03/656929403.db2.gz XKGHQFYKJRKGPO-PMPSAXMXSA-N 1 0 376.563 2.777 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)c2cnc3ncc(Br)cc3c2)C1 ZINC000780856207 657033286 /nfs/dbraw/zinc/03/32/86/657033286.db2.gz HGKTZOSPZXPDKU-LSDHHAIUSA-N 1 0 377.286 2.995 20 0 GFADRO C[C@H]1CCC[N@@H+]1CCNS(=O)(=O)c1cc(Br)sc1Cl ZINC000780867919 657033912 /nfs/dbraw/zinc/03/39/12/657033912.db2.gz OGIBOCZZPHAGRK-QMMMGPOBSA-N 1 0 387.752 2.927 20 0 GFADRO C[NH+](C)C1CCN(C(=O)c2cnn(-c3ccccc3)c2Br)CC1 ZINC000782166747 657108653 /nfs/dbraw/zinc/10/86/53/657108653.db2.gz KOEUJWZWMKOHIT-UHFFFAOYSA-N 1 0 377.286 2.801 20 0 GFADRO O=C([C@H]1CCC[N@@H+]1C1CC1)N1CCO[C@H](c2ccccc2Br)C1 ZINC000787286731 657539609 /nfs/dbraw/zinc/53/96/09/657539609.db2.gz LTIURAMJIVUYNZ-SJORKVTESA-N 1 0 379.298 2.976 20 0 GFADRO CCN(CCC[NH+](C)C)C(=O)/C=C/c1ccc(I)o1 ZINC000787531761 657565006 /nfs/dbraw/zinc/56/50/06/657565006.db2.gz HRTRGTIWBOVAKL-VQHVLOKHSA-N 1 0 376.238 2.698 20 0 GFADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@]1(O)CCCc2ccccc21 ZINC000787763291 657596066 /nfs/dbraw/zinc/59/60/66/657596066.db2.gz KPJBSHWAUCOUHY-AUUYWEPGSA-N 1 0 391.309 2.813 20 0 GFADRO C[NH+](C)CC(C)(C)CNC(=S)Nc1ccc(Cl)c(S(C)(=O)=O)c1 ZINC000788281373 657687958 /nfs/dbraw/zinc/68/79/58/657687958.db2.gz FCSLCUGXNYYFEX-UHFFFAOYSA-N 1 0 377.963 2.618 20 0 GFADRO CC(C)N(CCC[NH2+][C@@H]1CCC[C@H](S(C)(=O)=O)C1)C(=O)OC(C)(C)C ZINC000788594003 657749475 /nfs/dbraw/zinc/74/94/75/657749475.db2.gz KDXKSKOMZCLGKY-CVEARBPZSA-N 1 0 376.563 2.967 20 0 GFADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@@H](C)[C@@H](O)c1cccc(F)c1 ZINC000788666785 657768094 /nfs/dbraw/zinc/76/80/94/657768094.db2.gz SSWBWVGIFWKXFE-BWACUDIHSA-N 1 0 383.261 2.850 20 0 GFADRO C[NH+](C)Cc1ccc(S(=O)(=O)NC[C@@](C)(O)c2ccccc2Cl)cc1 ZINC000788669930 657769388 /nfs/dbraw/zinc/76/93/88/657769388.db2.gz QHTRPSFFQFTMNT-GOSISDBHSA-N 1 0 382.913 2.588 20 0 GFADRO C[N@H+](CCN1CCN(C(=O)c2nc(Cl)cs2)CC1)Cc1ccccc1 ZINC000788746719 657781490 /nfs/dbraw/zinc/78/14/90/657781490.db2.gz VACVPZRPCUKATM-UHFFFAOYSA-N 1 0 378.929 2.686 20 0 GFADRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NS(=O)(=O)c1ccc2nc(Cl)cnc2c1 ZINC000788911375 657795735 /nfs/dbraw/zinc/79/57/35/657795735.db2.gz AWTZSOHAQFWFNS-CHWSQXEVSA-N 1 0 382.917 2.682 20 0 GFADRO CCOC(=O)N[C@H](C[NH2+]Cc1c(Br)c(C)nn1C)CC(C)C ZINC000790464012 657987304 /nfs/dbraw/zinc/98/73/04/657987304.db2.gz SELKKFZMHMWDQA-LBPRGKRZSA-N 1 0 375.311 2.741 20 0 GFADRO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)N1CCC2(C[NH+](C)C2)C1 ZINC000791250069 658072315 /nfs/dbraw/zinc/07/23/15/658072315.db2.gz RAXGRYMEIXGDNB-UHFFFAOYSA-N 1 0 391.265 2.642 20 0 GFADRO C[C@@H]1C[NH+](CCCCNC(=O)c2nc(Br)ccc2F)C[C@@H](C)O1 ZINC000792215759 658252676 /nfs/dbraw/zinc/25/26/76/658252676.db2.gz MILGRHRCMMXJAL-VXGBXAGGSA-N 1 0 388.281 2.602 20 0 GFADRO CS[C@@H]1CN(C(=O)c2nc(Br)ccc2F)C[C@@H]1[NH+]1CCCC1 ZINC000792318284 658267982 /nfs/dbraw/zinc/26/79/82/658267982.db2.gz LVAGPBASDQYXRS-NWDGAFQWSA-N 1 0 388.306 2.635 20 0 GFADRO CCCN(CC[NH+](CC)CC)C(=O)C(=O)Nc1ccc(C)c(Br)n1 ZINC000793047651 658351562 /nfs/dbraw/zinc/35/15/62/658351562.db2.gz XYUDVEKDIXLPGA-UHFFFAOYSA-N 1 0 399.333 2.671 20 0 GFADRO CSC1(CNC(=O)[C@@H](O)c2cccc(C(F)(F)F)c2)CC[NH+](C)CC1 ZINC000793362618 658390477 /nfs/dbraw/zinc/39/04/77/658390477.db2.gz AXQDWTACIVKPEV-AWEZNQCLSA-N 1 0 376.444 2.682 20 0 GFADRO Cc1ccc(NC(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)nc1Br ZINC000794356199 658523682 /nfs/dbraw/zinc/52/36/82/658523682.db2.gz UCVGMHRYZKLILL-AWEZNQCLSA-N 1 0 397.317 2.729 20 0 GFADRO Cc1ccc(Br)nc1C(=O)Nc1cccc(C[N@@H+]2CC[C@@H](O)C2)c1 ZINC000794579705 658565410 /nfs/dbraw/zinc/56/54/10/658565410.db2.gz OTEGUXBGBAYAOU-OAHLLOKOSA-N 1 0 390.281 2.971 20 0 GFADRO CC[NH+](CC)C[C@@H]1CCN(Cn2c(=O)oc3cccc(Br)c32)C1 ZINC000794635814 658587286 /nfs/dbraw/zinc/58/72/86/658587286.db2.gz GEQGMXQFVKUZBU-ZDUSSCGKSA-N 1 0 382.302 2.978 20 0 GFADRO C[C@H]([NH2+]CCOc1cccnc1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000794810617 658616704 /nfs/dbraw/zinc/61/67/04/658616704.db2.gz UOURDKFBCDUFCN-JTQLQIEISA-N 1 0 390.292 2.765 20 0 GFADRO CCCN(CC[NH+]1CCCC1)S(=O)(=O)c1cc(C(=O)OC)ccc1Cl ZINC000796094741 658889851 /nfs/dbraw/zinc/88/98/51/658889851.db2.gz SKYPHXBWSCDLPJ-UHFFFAOYSA-N 1 0 388.917 2.623 20 0 GFADRO CN(C)Cc1cnc(C[NH2+]C[C@@H](O)c2ccc(OC(F)(F)F)cc2)s1 ZINC000796284509 658909972 /nfs/dbraw/zinc/90/99/72/658909972.db2.gz RIBRLFAMJVVLBH-CQSZACIVSA-N 1 0 375.416 2.927 20 0 GFADRO C[C@H](C[C@H](O)c1ccco1)[NH2+]Cc1ncc(I)s1 ZINC000796341548 658913149 /nfs/dbraw/zinc/91/31/49/658913149.db2.gz PVLIWDRMDIKQNA-BDAKNGLRSA-N 1 0 378.235 2.943 20 0 GFADRO COC(=O)C[C@@](C)([NH2+]C/C=C(\C)C(=O)OC)c1ccc(Br)cc1 ZINC000796497100 658920284 /nfs/dbraw/zinc/92/02/84/658920284.db2.gz FPFPITPLPHUGRH-XLNAKTSKSA-N 1 0 384.270 2.936 20 0 GFADRO CC(C)(C)OC(=O)N1CCN([C@@H]2CC[N@H+](C[C@@H]3CC3(Cl)Cl)C2)CC1 ZINC000796617373 658927901 /nfs/dbraw/zinc/92/79/01/658927901.db2.gz OUSFJRLCRJYZRL-UONOGXRCSA-N 1 0 378.344 2.807 20 0 GFADRO O=S(=O)(NCC[NH2+][C@H]1CCCc2n[nH]cc21)c1cccc(Cl)c1Cl ZINC000797036147 658966411 /nfs/dbraw/zinc/96/64/11/658966411.db2.gz KPNIMVNSPPGEPQ-LBPRGKRZSA-N 1 0 389.308 2.662 20 0 GFADRO CCOC(=O)C(F)(F)[C@H]1CC[C@@H]([NH2+]CCn2cc(Br)cn2)C1 ZINC000797117670 658983560 /nfs/dbraw/zinc/98/35/60/658983560.db2.gz MTDCWZCXMWYBHT-CMPLNLGQSA-N 1 0 380.233 2.602 20 0 GFADRO Cc1[nH+]ccc(N2CCN(c3ccc(NS(C)(=O)=O)cc3)CC2)c1Cl ZINC000798397283 659099454 /nfs/dbraw/zinc/09/94/54/659099454.db2.gz YRBLOZIZQYYVRL-UHFFFAOYSA-N 1 0 380.901 2.742 20 0 GFADRO C[C@H]1CCC[N@@H+]1CCNS(=O)(=O)c1ccc(Cl)cc1Br ZINC000798453010 659107542 /nfs/dbraw/zinc/10/75/42/659107542.db2.gz SLNDJSKRFIFBMN-JTQLQIEISA-N 1 0 381.723 2.865 20 0 GFADRO CON(C)C(=O)CC[N@@H+]1CCC[C@H]1c1ccc(I)cc1 ZINC000799125177 659166682 /nfs/dbraw/zinc/16/66/82/659166682.db2.gz IDNACRMYNDNAMK-AWEZNQCLSA-N 1 0 388.249 2.838 20 0 GFADRO OC[C@@]1([NH2+]C[C@H](O)c2ccc(Br)cc2)CCOc2ccccc21 ZINC000799337824 659183478 /nfs/dbraw/zinc/18/34/78/659183478.db2.gz RDEUTUDTGNUWLN-WMZOPIPTSA-N 1 0 378.266 2.742 20 0 GFADRO CN1C(=O)CN(C[NH+]2CCC(C)(c3ccc(Br)cc3)CC2)C1=O ZINC000799570047 659199127 /nfs/dbraw/zinc/19/91/27/659199127.db2.gz FPIFSVQOHKHKJU-UHFFFAOYSA-N 1 0 380.286 2.654 20 0 GFADRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)NC[C@H](O)c1cccc(Br)c1 ZINC000799985516 659254350 /nfs/dbraw/zinc/25/43/50/659254350.db2.gz ZAVYGUMLVNLGRV-HOTGVXAUSA-N 1 0 398.345 2.902 20 0 GFADRO CC[NH+](CC)CCCOC(=O)[C@H]1CCCCN1S(=O)(=O)c1cccs1 ZINC000800138003 659275363 /nfs/dbraw/zinc/27/53/63/659275363.db2.gz HUXYMJAFCOIKJX-OAHLLOKOSA-N 1 0 388.555 2.566 20 0 GFADRO CC[NH+](CC)CCCOC(=O)c1ccc(I)c(N)c1 ZINC000800179310 659286444 /nfs/dbraw/zinc/28/64/44/659286444.db2.gz NVDBIQOSLYPIQR-UHFFFAOYSA-N 1 0 376.238 2.762 20 0 GFADRO O[C@@H](C[NH2+]Cc1cnc(N2CCOCC2)s1)c1cccc(Br)c1 ZINC000800289575 659298942 /nfs/dbraw/zinc/29/89/42/659298942.db2.gz LRVLMBHGQHKMRQ-HNNXBMFYSA-N 1 0 398.326 2.565 20 0 GFADRO Cc1cc(Br)cc(C[NH2+][C@H]2CCC[C@H]2CNS(C)(=O)=O)c1 ZINC000800309343 659300312 /nfs/dbraw/zinc/30/03/12/659300312.db2.gz HYYKWYYOQHZCBZ-ZFWWWQNUSA-N 1 0 375.332 2.565 20 0 GFADRO NC(=O)NC(=O)OCCC[NH+]1CCC(c2ccc(Br)cc2)CC1 ZINC000800413248 659309071 /nfs/dbraw/zinc/30/90/71/659309071.db2.gz YAQRYABAHKMBPR-UHFFFAOYSA-N 1 0 384.274 2.824 20 0 GFADRO CCC[NH+]1CCC(N(C)S(=O)(=O)c2cc3c(cc2Cl)CCC3=O)CC1 ZINC000800902459 659345643 /nfs/dbraw/zinc/34/56/43/659345643.db2.gz KXQDGYZFFWRUOW-UHFFFAOYSA-N 1 0 384.929 2.964 20 0 GFADRO Cc1nn(C)c(Br)c1C(=O)N[C@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000800941427 659355339 /nfs/dbraw/zinc/35/53/39/659355339.db2.gz AFQDEZKYBFOXKW-DOMZBBRYSA-N 1 0 379.302 2.912 20 0 GFADRO CC[NH+](CC)[C@H](CNC(=O)c1c(C)nn(C)c1Br)c1ccco1 ZINC000801089962 659367171 /nfs/dbraw/zinc/36/71/71/659367171.db2.gz ZSZMXYWCCMADMG-GFCCVEGCSA-N 1 0 383.290 2.897 20 0 GFADRO C[C@H](C[NH+]1CCCCC1)NC(=O)NC[C@@H](O)c1cccc(Br)c1 ZINC000801754231 659422990 /nfs/dbraw/zinc/42/29/90/659422990.db2.gz BHUAESTZZCRGCR-CZUORRHYSA-N 1 0 384.318 2.656 20 0 GFADRO COc1ccc(Br)cc1CC(=O)OC[C@H]1C[N@@H+](C(C)C)CCO1 ZINC000802138630 659448724 /nfs/dbraw/zinc/44/87/24/659448724.db2.gz MBOUCHKZJKHQED-OAHLLOKOSA-N 1 0 386.286 2.653 20 0 GFADRO C[N@@H+]1CCCC[C@H]1CCOC(=O)c1cc(N)cc(I)c1 ZINC000803851082 659609320 /nfs/dbraw/zinc/60/93/20/659609320.db2.gz UGJSZDWYRBEIFY-AWEZNQCLSA-N 1 0 388.249 2.905 20 0 GFADRO CC(=O)c1cc(Br)ccc1OCC(=O)NCC[N@H+]1CCC[C@@H]1C ZINC000807271265 659850762 /nfs/dbraw/zinc/85/07/62/659850762.db2.gz RGCXSTUAVPHWQO-LBPRGKRZSA-N 1 0 383.286 2.631 20 0 GFADRO Cc1c(C(=O)NOC2CC[NH+](C)CC2)cnn1-c1cccc(Br)c1 ZINC000808024390 659873638 /nfs/dbraw/zinc/87/36/38/659873638.db2.gz JYVVVDJXWKWWMV-UHFFFAOYSA-N 1 0 393.285 2.699 20 0 GFADRO C[C@H](Sc1nc2ccccc2s1)C(=O)N[C@@H](CO)C[NH+]1CCCCC1 ZINC000808080563 659875648 /nfs/dbraw/zinc/87/56/48/659875648.db2.gz FMXDFWYSFNUZQH-UONOGXRCSA-N 1 0 379.551 2.740 20 0 GFADRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1CN1Cc2c(cccc2Br)C1=O ZINC000808190632 659880851 /nfs/dbraw/zinc/88/08/51/659880851.db2.gz IKTIPRHYVLXFOF-DYVFJYSZSA-N 1 0 378.314 2.921 20 0 GFADRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1Cn1nc(Br)c(=O)c2ccccc21 ZINC000808190003 659880879 /nfs/dbraw/zinc/88/08/79/659880879.db2.gz CHGVJVQTUXFBSE-UKRRQHHQSA-N 1 0 391.313 2.675 20 0 GFADRO CON(C)C(=O)CC[NH2+][C@@H](CO)c1ccc(Br)cc1C(F)(F)F ZINC000808756497 659904496 /nfs/dbraw/zinc/90/44/96/659904496.db2.gz NQMUHBSWUQLFPJ-LBPRGKRZSA-N 1 0 399.207 2.501 20 0 GFADRO CCS(=O)(=O)N1CCC([C@@H](C)[N@H+](C)C[C@@H](O)c2cccc(Cl)c2)CC1 ZINC000808775697 659905550 /nfs/dbraw/zinc/90/55/50/659905550.db2.gz HQXALBFOJQHQJT-RDTXWAMCSA-N 1 0 388.961 2.755 20 0 GFADRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]C[C@H](O)c3cccc(Br)c3)[C@H]2C1 ZINC000808782687 659905796 /nfs/dbraw/zinc/90/57/96/659905796.db2.gz BFIWYUZWOBOVMR-DKIMLUQUSA-N 1 0 381.314 2.719 20 0 GFADRO C[N@@H+]1CCC[C@H](N2CCN(Cc3c(Cl)nc4cc(Cl)ccn43)CC2)C1 ZINC000809571820 659932335 /nfs/dbraw/zinc/93/23/35/659932335.db2.gz DFOCKNUICDNHPN-HNNXBMFYSA-N 1 0 382.339 2.853 20 0 GFADRO Brc1c(CNC2CC[NH+](C[C@@H]3CCCO3)CC2)nc2ccccn21 ZINC000809619159 659933853 /nfs/dbraw/zinc/93/38/53/659933853.db2.gz QJFNZWPHMNFCJE-HNNXBMFYSA-N 1 0 393.329 2.830 20 0 GFADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1nc2ccccc2cc1Br ZINC000809643225 659934794 /nfs/dbraw/zinc/93/47/94/659934794.db2.gz FMBVRBVRZAIRLL-KGLIPLIRSA-N 1 0 390.281 2.590 20 0 GFADRO CC(C)(C)OC(=O)N(CC[NH2+]CC1(S(C)(=O)=O)CCCC1)C(C)(C)C ZINC000809710957 659936848 /nfs/dbraw/zinc/93/68/48/659936848.db2.gz DYMPUTHDARZFEQ-UHFFFAOYSA-N 1 0 376.563 2.969 20 0 GFADRO CCCC[N@H+](C)C[C@@H](C)NS(=O)(=O)c1cc(Br)cnc1Cl ZINC000809859723 659950615 /nfs/dbraw/zinc/95/06/15/659950615.db2.gz CYRWBALQTGBCQC-SNVBAGLBSA-N 1 0 398.754 2.896 20 0 GFADRO CN1CC[C@@H]([NH2+]CCCNC(=O)C(F)(F)F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000810062975 659958755 /nfs/dbraw/zinc/95/87/55/659958755.db2.gz NBYRPSVTGLQMEV-KGLIPLIRSA-N 1 0 381.801 2.883 20 0 GFADRO COc1ccccc1[C@@H](O)C[NH2+]Cc1cn2ccc(Br)cc2n1 ZINC000810133283 659964092 /nfs/dbraw/zinc/96/40/92/659964092.db2.gz FFPRKRWATOACBH-HNNXBMFYSA-N 1 0 376.254 2.929 20 0 GFADRO C[C@@H]([NH2+][C@@H]1CCN(c2ccccc2C(N)=O)C1)c1ccc(Br)nc1 ZINC000810218747 659967057 /nfs/dbraw/zinc/96/70/57/659967057.db2.gz WTTNFZMBRPXIBJ-TZMCWYRMSA-N 1 0 389.297 2.873 20 0 GFADRO COc1ccccc1CCNC(=O)C[NH2+][C@H](C)c1ccc(Br)nc1 ZINC000810237370 659967422 /nfs/dbraw/zinc/96/74/22/659967422.db2.gz GTXSWLCEUUHOCX-CYBMUJFWSA-N 1 0 392.297 2.862 20 0 GFADRO Nc1nc(N2CCC[C@@H](OC(=O)Cc3ccccc3Br)C2)cc[nH+]1 ZINC000810768687 659985367 /nfs/dbraw/zinc/98/53/67/659985367.db2.gz UKYCYPVHJBTEON-CYBMUJFWSA-N 1 0 391.269 2.576 20 0 GFADRO CN(C)CC[N@H+](C)CCCN(C)C(=O)CSc1nc2ccccc2s1 ZINC000811543069 660011633 /nfs/dbraw/zinc/01/16/33/660011633.db2.gz PAYNLEUYJKQCGP-UHFFFAOYSA-N 1 0 380.583 2.730 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc(Br)cnc3OCC3CC3)C[C@@H]2C1 ZINC000812343492 660025208 /nfs/dbraw/zinc/02/52/08/660025208.db2.gz QDDWCMFKXDIFTR-KGLIPLIRSA-N 1 0 394.313 2.657 20 0 GFADRO C[C@@H]([NH2+]C[C@@H]1CC2(CC2)C(=O)O1)c1ccc(Br)cc1OCCCO ZINC000812885189 660036169 /nfs/dbraw/zinc/03/61/69/660036169.db2.gz MPUKZMPSQYUSFB-OCCSQVGLSA-N 1 0 398.297 2.957 20 0 GFADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)C1(Cc2ccccc2Br)CC1 ZINC000814108724 660073175 /nfs/dbraw/zinc/07/31/75/660073175.db2.gz HACHJWXCCAFEAO-HOTGVXAUSA-N 1 0 393.325 2.751 20 0 GFADRO O=S(=O)(c1ccc(Cl)c2nonc21)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000814384666 660078727 /nfs/dbraw/zinc/07/87/27/660078727.db2.gz UYAONQOECZBDNC-LBPRGKRZSA-N 1 0 384.889 2.515 20 0 GFADRO C[C@@H]([NH2+]Cc1c(Cl)ncnc1N(C)C)C1CCN(CC(F)(F)F)CC1 ZINC000815111287 660113299 /nfs/dbraw/zinc/11/32/99/660113299.db2.gz UXHBWVDZJHZBEU-LLVKDONJSA-N 1 0 379.858 2.948 20 0 GFADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3cn4c(Br)cnc4s3)CC[C@@H]21 ZINC000815824916 660132203 /nfs/dbraw/zinc/13/22/03/660132203.db2.gz YLELUFSEKAIAKY-MNOVXSKESA-N 1 0 383.315 2.715 20 0 GFADRO Nc1nc(N2CCC[C@H](OC(=O)c3cccc(F)c3Br)C2)cc[nH+]1 ZINC000816055443 660141558 /nfs/dbraw/zinc/14/15/58/660141558.db2.gz HVVDQBARFKOOMU-JTQLQIEISA-N 1 0 395.232 2.786 20 0 GFADRO CC[NH+]1CCN(c2ccc(C(=O)Nc3cc(Br)nn3C)cc2)CC1 ZINC000816710808 660166304 /nfs/dbraw/zinc/16/63/04/660166304.db2.gz GXBLOQUILNVNIV-UHFFFAOYSA-N 1 0 392.301 2.577 20 0 GFADRO Cc1cc(NC(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cc(F)c1Br ZINC000841790286 661313450 /nfs/dbraw/zinc/31/34/50/661313450.db2.gz BQDZXPXNYWRMRJ-OLZOCXBDSA-N 1 0 386.265 2.881 20 0 GFADRO CC[NH+](CC)CC[C@@H](CO)NC(=O)Nc1cnc(Cl)c(C(F)(F)F)c1 ZINC000841797043 661314026 /nfs/dbraw/zinc/31/40/26/661314026.db2.gz SHCGAHZHTJMHSN-JTQLQIEISA-N 1 0 382.814 2.968 20 0 GFADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)Nc1cnc(Cl)c(C(F)(F)F)c1 ZINC000841800059 661314494 /nfs/dbraw/zinc/31/44/94/661314494.db2.gz GHDXWFDLOXVRMV-QWRGUYRKSA-N 1 0 378.782 2.739 20 0 GFADRO CN(C(=O)N[C@@H]1COc2cc(F)c(Br)cc21)C1CCC([NH3+])CC1 ZINC000841896829 661317331 /nfs/dbraw/zinc/31/73/31/661317331.db2.gz NJGHDKLUZWKZFM-RPFQZYLTSA-N 1 0 386.265 2.933 20 0 GFADRO C[C@H](NC(=O)N(C)C[C@@H](O)c1ccccc1Br)[C@H]1CCC[NH2+]C1 ZINC000841928430 661317719 /nfs/dbraw/zinc/31/77/19/661317719.db2.gz RDXZEAMUTGQBAX-HEHGZKQESA-N 1 0 384.318 2.512 20 0 GFADRO COc1ccc2nc(Cl)ccc2c1S(=O)(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000842483913 661341600 /nfs/dbraw/zinc/34/16/00/661341600.db2.gz WPIPWOWDWPATAZ-PIGZYNQJSA-N 1 0 383.901 2.502 20 0 GFADRO C[NH2+]C[C@@H]1CCCN(S(=O)(=O)c2c(OC)ccc3nc(Cl)ccc32)C1 ZINC000842678316 661348619 /nfs/dbraw/zinc/34/86/19/661348619.db2.gz DJBSMVZOGAWKMY-LBPRGKRZSA-N 1 0 383.901 2.517 20 0 GFADRO Cc1cc(S(=O)(=O)N2CCC3(C2)CC[NH2+]CC3)c(F)cc1Br ZINC000842825722 661356571 /nfs/dbraw/zinc/35/65/71/661356571.db2.gz ZDAMAZGZYBEHIG-UHFFFAOYSA-N 1 0 391.306 2.661 20 0 GFADRO O=S(=O)(/C=C/c1ccc(Br)cc1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000842850138 661357075 /nfs/dbraw/zinc/35/70/75/661357075.db2.gz KYOIIFBWTOGJJJ-RFKZRZAASA-N 1 0 385.327 2.825 20 0 GFADRO O=S(=O)(/C=C/c1ccccc1Br)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000842850343 661357094 /nfs/dbraw/zinc/35/70/94/661357094.db2.gz QOKJFGPOBNVNLE-RFKZRZAASA-N 1 0 385.327 2.825 20 0 GFADRO O=S(=O)(c1ccc(C(F)(F)F)cn1)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000842875367 661358260 /nfs/dbraw/zinc/35/82/60/661358260.db2.gz NQDIHWHMKVJRSY-STQMWFEESA-N 1 0 377.432 2.501 20 0 GFADRO O=S(=O)(c1ccc2nc(Cl)sc2c1)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000842892523 661359061 /nfs/dbraw/zinc/35/90/61/661359061.db2.gz FZPIVYXAGXYWNY-VXGBXAGGSA-N 1 0 385.942 2.960 20 0 GFADRO CC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCc3ccccc3[C@@H]2C[NH3+])c1 ZINC000842913607 661360259 /nfs/dbraw/zinc/36/02/59/661360259.db2.gz CJXYGKWFZAYROO-KRWDZBQOSA-N 1 0 378.881 2.789 20 0 GFADRO C[C@](O)(C[NH2+]C[C@H](O)C(F)(F)F)c1ccc(Br)cc1Cl ZINC000843062956 661365785 /nfs/dbraw/zinc/36/57/85/661365785.db2.gz OUCMRSHJPOWZRB-QWRGUYRKSA-N 1 0 376.600 2.823 20 0 GFADRO COc1cc(OC)cc([C@H](O)C[NH2+]C[C@@H](O)c2ccccc2Br)c1 ZINC000843067697 661366032 /nfs/dbraw/zinc/36/60/32/661366032.db2.gz HGBHQXAYBITJEO-QZTJIDSGSA-N 1 0 396.281 2.823 20 0 GFADRO O=S(=O)(CC[NH2+]CC[C@H](O)c1ccccc1)c1cccc(Br)c1 ZINC000843090450 661367342 /nfs/dbraw/zinc/36/73/42/661367342.db2.gz YXUWBOFTLUMFOZ-KRWDZBQOSA-N 1 0 398.322 2.936 20 0 GFADRO COc1ccc([C@H](CO)C[NH2+]C[C@H](O)c2ccc(Br)cc2)cc1 ZINC000843094265 661367554 /nfs/dbraw/zinc/36/75/54/661367554.db2.gz JZSJYPWEBLZXFQ-YJBOKZPZSA-N 1 0 380.282 2.857 20 0 GFADRO Cc1nc(C[NH2+]C[C@@H](O)COc2cccc(Br)c2)ccc1[C@H](C)O ZINC000843108371 661368295 /nfs/dbraw/zinc/36/82/95/661368295.db2.gz YWDXDRSSYUUEMH-XJKSGUPXSA-N 1 0 395.297 2.735 20 0 GFADRO O[C@H](C[NH2+]C[C@@H](O)c1ccc(F)cc1)COc1cccc(Br)c1 ZINC000843112221 661368671 /nfs/dbraw/zinc/36/86/71/661368671.db2.gz XKTAHYQAPQHNBR-NVXWUHKLSA-N 1 0 384.245 2.651 20 0 GFADRO CN(Cc1ccccc1)C[C@@H](O)C[NH2+]C[C@H](O)c1cccc(Br)c1 ZINC000843113288 661368892 /nfs/dbraw/zinc/36/88/92/661368892.db2.gz REPMXDGXLUGQAW-OALUTQOASA-N 1 0 393.325 2.565 20 0 GFADRO C[C@](O)(C[NH2+]C[C@@H](CO)[C@@H]1CCOC1)c1ccc(Br)cc1Cl ZINC000843112888 661368915 /nfs/dbraw/zinc/36/89/15/661368915.db2.gz WPYSYNMRYZWGNX-WQGACYEGSA-N 1 0 392.721 2.545 20 0 GFADRO Cn1ccnc1[C@@H]([NH2+]C[C@H](O)c1cccc(Br)c1)C(C)(C)CO ZINC000843114664 661369178 /nfs/dbraw/zinc/36/91/78/661369178.db2.gz BTMMTKOVUXMHBM-LSDHHAIUSA-N 1 0 382.302 2.565 20 0 GFADRO O=C1C[C@@H](c2nc(C3CC[NH2+]CC3)no2)CN1c1ccccc1Br ZINC000843138251 661370595 /nfs/dbraw/zinc/37/05/95/661370595.db2.gz QTIPTPIFXWZPPY-GFCCVEGCSA-N 1 0 391.269 2.820 20 0 GFADRO O=C1C[C@@H](c2nc(C3CC[NH2+]CC3)no2)CN1c1cccc(Br)c1 ZINC000843137833 661370603 /nfs/dbraw/zinc/37/06/03/661370603.db2.gz FULHPGCUEADCQR-GFCCVEGCSA-N 1 0 391.269 2.820 20 0 GFADRO Brc1cccc(-c2nc(-c3noc(CC4CC[NH2+]CC4)n3)n[nH]2)c1 ZINC000843228809 661374131 /nfs/dbraw/zinc/37/41/31/661374131.db2.gz ZFEAYUWPIWIBCI-UHFFFAOYSA-N 1 0 389.257 2.826 20 0 GFADRO O=C(Cc1ccc(Br)c(F)c1)Nc1cnn(C2CC[NH2+]CC2)c1 ZINC000843458787 661382266 /nfs/dbraw/zinc/38/22/66/661382266.db2.gz HMULMPIEBGISPF-UHFFFAOYSA-N 1 0 381.249 2.890 20 0 GFADRO CCOC(=O)Nc1ccc(Br)cc1NC(=O)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000843491838 661383259 /nfs/dbraw/zinc/38/32/59/661383259.db2.gz MYOZCWTXVSTFOF-ZBEGNZNMSA-N 1 0 382.258 2.956 20 0 GFADRO O=C(/C=C/c1ccc(I)o1)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000843508569 661383787 /nfs/dbraw/zinc/38/37/87/661383787.db2.gz XRLDQKHOKHVRKT-JOAKQRRISA-N 1 0 386.233 2.688 20 0 GFADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1cc2c(cncc2Br)s1 ZINC000843778376 661392431 /nfs/dbraw/zinc/39/24/31/661392431.db2.gz ISNDOENQOGFLAP-WDEREUQCSA-N 1 0 396.310 2.652 20 0 GFADRO C[NH+]1CCC2(CC1)CN(C(=O)CSc1nc3ccccc3s1)CCO2 ZINC000844096063 661404246 /nfs/dbraw/zinc/40/42/46/661404246.db2.gz FBUYMAYITVQSRO-UHFFFAOYSA-N 1 0 377.535 2.712 20 0 GFADRO O=C1CCc2cc(OC[C@@H](O)C[NH2+]CCC[C@@H]3CC3(Cl)Cl)ccc2N1 ZINC000844280065 661412566 /nfs/dbraw/zinc/41/25/66/661412566.db2.gz UMYOLLQKNNQIGD-KGLIPLIRSA-N 1 0 387.307 2.875 20 0 GFADRO C[C@H](NC(=O)Cc1noc(CC(F)(F)C[NH3+])n1)c1ccc(Cl)cc1Cl ZINC000844918738 661449222 /nfs/dbraw/zinc/44/92/22/661449222.db2.gz ZLTIKIQZUJJNDF-QMMMGPOBSA-N 1 0 393.221 2.933 20 0 GFADRO O=C(NCCC[C@@H]1CC1(Cl)Cl)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000845063380 661455307 /nfs/dbraw/zinc/45/53/07/661455307.db2.gz ISCBSJOMMXHCSY-BPLDGKMQSA-N 1 0 378.344 2.637 20 0 GFADRO CC(C)C[N@H+](C)CCCNC(=O)NC[C@H](O)c1cccc(Br)c1 ZINC000845313670 661465388 /nfs/dbraw/zinc/46/53/88/661465388.db2.gz XCXCLLIKNUVRQA-INIZCTEOSA-N 1 0 386.334 2.760 20 0 GFADRO COc1c[nH+]ccc1N1CCN(C(=O)NCCC[C@@H]2CC2(Cl)Cl)CC1 ZINC000845672638 661487916 /nfs/dbraw/zinc/48/79/16/661487916.db2.gz ALEZKTOZWKQEOY-CYBMUJFWSA-N 1 0 387.311 2.896 20 0 GFADRO CN(CC(=O)OC[C@H]1CC[N@@H+]1C(C)(C)C)C(=O)c1ccc(Br)o1 ZINC000845735489 661494849 /nfs/dbraw/zinc/49/48/49/661494849.db2.gz NHVMLSYBONQYLY-LLVKDONJSA-N 1 0 387.274 2.530 20 0 GFADRO C[C@@]1(NS(=O)(=O)Cc2ccc(Cl)nc2)CC[N@H+](Cc2ccccc2)C1 ZINC000846024726 661524633 /nfs/dbraw/zinc/52/46/33/661524633.db2.gz AHOXNVZGGILUEP-GOSISDBHSA-N 1 0 379.913 2.819 20 0 GFADRO CS/C=C/C(=O)N(C)CCN(CC[NH+]1CCCCC1)C(=O)/C=C\SC ZINC000846129547 661534070 /nfs/dbraw/zinc/53/40/70/661534070.db2.gz OUWCKCHKWDMDOY-AUYDJSIHSA-N 1 0 385.599 2.513 20 0 GFADRO C[NH+](C)CCc1ccccc1NC(=O)C(=O)NCCC[C@H]1CC1(Cl)Cl ZINC000846179876 661535958 /nfs/dbraw/zinc/53/59/58/661535958.db2.gz GQYAIZVPAKUJCN-AWEZNQCLSA-N 1 0 386.323 2.819 20 0 GFADRO C[NH2+]Cc1ccccc1CNC(=O)NC[C@H](O)c1cccc(Br)c1 ZINC000846206176 661538144 /nfs/dbraw/zinc/53/81/44/661538144.db2.gz XJMBEDZUFKZKGH-KRWDZBQOSA-N 1 0 392.297 2.701 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(S(=O)(=O)/C=C/c3ccc(Cl)cc3)C2)C1 ZINC000846231224 661539252 /nfs/dbraw/zinc/53/92/52/661539252.db2.gz OJGAYHPWAQWITH-REWFBZMPSA-N 1 0 384.929 2.859 20 0 GFADRO [NH3+]C[C@]12CCC[C@H]1CN(S(=O)(=O)/C=C\c1ccc(Br)cc1)C2 ZINC000846229759 661539284 /nfs/dbraw/zinc/53/92/84/661539284.db2.gz GFSUYRKFGARDLK-ASGCWMPDSA-N 1 0 385.327 2.810 20 0 GFADRO Cc1ccc(NC(=O)N2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)c(Br)n1 ZINC000846307638 661544297 /nfs/dbraw/zinc/54/42/97/661544297.db2.gz SJXUWOXXNQVKSG-GZBFAFLISA-N 1 0 397.317 2.903 20 0 GFADRO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCN(C(=O)Nc3ccnc(Br)c3)C2)C1 ZINC000846310422 661544527 /nfs/dbraw/zinc/54/45/27/661544527.db2.gz JIWYNKKVDNSYTA-OUCADQQQSA-N 1 0 383.290 2.594 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(C(=O)Nc3cccc(Br)n3)C2)C1 ZINC000846309995 661544590 /nfs/dbraw/zinc/54/45/90/661544590.db2.gz DBLSMUOKBFBRKI-XQQFMLRXSA-N 1 0 383.290 2.594 20 0 GFADRO Cc1cc(NC(=O)N2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)cnc1Br ZINC000846315312 661544786 /nfs/dbraw/zinc/54/47/86/661544786.db2.gz KEFNWQVHIQAMOR-YDHLFZDLSA-N 1 0 397.317 2.903 20 0 GFADRO CCS(=O)(=O)N1CCC([C@H](C)[N@H+](C)Cc2cnc(Cl)c(F)c2)CC1 ZINC000846899893 661569529 /nfs/dbraw/zinc/56/95/29/661569529.db2.gz MFFRSVUJRGHQFB-LBPRGKRZSA-N 1 0 377.913 2.756 20 0 GFADRO CCS(=O)(=O)N1CCC([C@@H](C)[N@H+](C)Cc2cnc(Cl)c(F)c2)CC1 ZINC000846899892 661569870 /nfs/dbraw/zinc/56/98/70/661569870.db2.gz MFFRSVUJRGHQFB-GFCCVEGCSA-N 1 0 377.913 2.756 20 0 GFADRO C[NH+](C)CCN(Cc1ccccn1)C[C@H](O)c1ccc(Br)cc1 ZINC000846940100 661571405 /nfs/dbraw/zinc/57/14/05/661571405.db2.gz XPWUCKNRIUQKCD-SFHVURJKSA-N 1 0 378.314 2.941 20 0 GFADRO O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)[C@H]1Cc2cc(Br)ccc2O1 ZINC000847257230 661584364 /nfs/dbraw/zinc/58/43/64/661584364.db2.gz VPSJCZYKNOYKFC-HLLBOEOZSA-N 1 0 379.298 2.886 20 0 GFADRO C[NH+](C)C1(CNC(=O)c2ccccc2S(=O)(=O)C(F)(F)F)CCCC1 ZINC000847347345 661588653 /nfs/dbraw/zinc/58/86/53/661588653.db2.gz GIHJAOHJYPNTTC-UHFFFAOYSA-N 1 0 378.416 2.584 20 0 GFADRO O=C(NC[C@H](O)c1ccccc1Br)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000847446215 661592799 /nfs/dbraw/zinc/59/27/99/661592799.db2.gz DXKOOBXIJVBGEE-BBWFWOEESA-N 1 0 396.329 2.799 20 0 GFADRO C[NH+](C)[C@@]1(CNC(=O)c2cnc(Cl)c(Br)c2)CCSC1 ZINC000847547985 661596633 /nfs/dbraw/zinc/59/66/33/661596633.db2.gz XOZYJWBCVLQDBT-CYBMUJFWSA-N 1 0 378.723 2.665 20 0 GFADRO C[NH+](C)CCCOC1CCN(C(=O)c2cnc(F)c(Br)c2)CC1 ZINC000847548365 661596647 /nfs/dbraw/zinc/59/66/47/661596647.db2.gz MYCZIUYBANHHHB-UHFFFAOYSA-N 1 0 388.281 2.556 20 0 GFADRO C[N@@H+]1CC[C@@H](CCOC(=O)c2cc(I)ccc2F)C1 ZINC000847822784 661611807 /nfs/dbraw/zinc/61/18/07/661611807.db2.gz BDWIQMIQZGTJJG-JTQLQIEISA-N 1 0 377.197 2.929 20 0 GFADRO C[N@@H+]1CC[C@@H](CCOC(=O)c2ccc(Br)cc2-n2cncn2)C1 ZINC000847824158 661612269 /nfs/dbraw/zinc/61/22/69/661612269.db2.gz OXLAEUPXSTXIIO-LBPRGKRZSA-N 1 0 379.258 2.528 20 0 GFADRO CC(=O)N[C@@H](CC(=O)OCC[C@@H]1CC[N@@H+](C)C1)c1ccc(Br)cc1 ZINC000847829328 661612631 /nfs/dbraw/zinc/61/26/31/661612631.db2.gz XGNFKBZZHVNSIZ-YOEHRIQHSA-N 1 0 397.313 2.901 20 0 GFADRO COCC[NH+]1CCC(OC(=O)c2ccccc2I)CC1 ZINC000847880027 661615088 /nfs/dbraw/zinc/61/50/88/661615088.db2.gz BXFGIYSOXJFPQL-UHFFFAOYSA-N 1 0 389.233 2.559 20 0 GFADRO CCN1CCC([NH+]2CCC(C(=O)N(C)CC(F)(F)Br)CC2)CC1 ZINC000848080328 661623910 /nfs/dbraw/zinc/62/39/10/661623910.db2.gz IKQMJFKFBZBAKK-UHFFFAOYSA-N 1 0 396.320 2.629 20 0 GFADRO CN(Cc1csc(C(C)(C)O)n1)C(=O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000848209101 661632946 /nfs/dbraw/zinc/63/29/46/661632946.db2.gz IOAWQUMJXCXNGW-HNNXBMFYSA-N 1 0 383.583 2.546 20 0 GFADRO O=Cc1ccc(OCC(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)c(Br)c1 ZINC000848351289 661643211 /nfs/dbraw/zinc/64/32/11/661643211.db2.gz CDMSGOFFIAYYCW-HZPDHXFCSA-N 1 0 395.297 2.774 20 0 GFADRO S=C(NCCSc1ccccc1)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000848659123 661670991 /nfs/dbraw/zinc/67/09/91/661670991.db2.gz SZYAGXIUUYCJGU-KRWDZBQOSA-N 1 0 379.595 2.840 20 0 GFADRO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(c2cc(C(F)(F)F)cc(Cl)n2)CC1 ZINC000848673004 661671615 /nfs/dbraw/zinc/67/16/15/661671615.db2.gz HYCYCSUJSALTEJ-LBPRGKRZSA-N 1 0 376.810 2.672 20 0 GFADRO CC(C)CCC[C@H](C)NC(=[NH2+])NCCNS(=O)(=O)c1cccc(Cl)c1 ZINC000849059787 661690483 /nfs/dbraw/zinc/69/04/83/661690483.db2.gz NNZJQIYFQDYZKK-AWEZNQCLSA-N 1 0 388.965 2.947 20 0 GFADRO CCOCCOC[C@@H](O)CNC(=[NH2+])N[C@H](C)c1ccc(Cl)cc1Cl ZINC000849092937 661691405 /nfs/dbraw/zinc/69/14/05/661691405.db2.gz MCGFPGDEJQNHCF-YPMHNXCESA-N 1 0 378.300 2.582 20 0 GFADRO CN(C)C(=O)CN(CC[NH+](C)C)C(=S)Nc1ccc(SC(F)F)cc1 ZINC000849293291 661703995 /nfs/dbraw/zinc/70/39/95/661703995.db2.gz VUMVDQLPMPBEMP-UHFFFAOYSA-N 1 0 390.525 2.650 20 0 GFADRO C[C@H](CN1C(=O)N[C@H](c2ccccc2Br)C1=O)[NH+]1CCCCC1 ZINC000849352195 661708645 /nfs/dbraw/zinc/70/86/45/661708645.db2.gz RYAOWUSVZOYYGV-IUODEOHRSA-N 1 0 380.286 2.916 20 0 GFADRO Cn1cc([C@H]2C[N@H+](C)CC[C@H]2C(=O)Oc2ccccc2Br)cn1 ZINC000849490878 661733660 /nfs/dbraw/zinc/73/36/60/661733660.db2.gz QERVAKLEAPGAHJ-ZIAGYGMSSA-N 1 0 378.270 2.824 20 0 GFADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)NCc2ccsc2Br)cn1 ZINC000849587135 661734589 /nfs/dbraw/zinc/73/45/89/661734589.db2.gz KVRXFHJDFCFYIG-KBPBESRZSA-N 1 0 397.342 2.596 20 0 GFADRO CC(C)[N@@H+]1CC[C@@H](C(=O)N2CCC=C(Br)C2)[C@@H](c2cnn(C)c2)C1 ZINC000849585295 661734867 /nfs/dbraw/zinc/73/48/67/661734867.db2.gz BEHSQTITJFONLW-IAGOWNOFSA-N 1 0 395.345 2.745 20 0 GFADRO CC(C)(C)OC(=O)NCC1CCC([NH2+]CC[S@](=O)CC(F)(F)F)CC1 ZINC000850350931 661771395 /nfs/dbraw/zinc/77/13/95/661771395.db2.gz WEJHNDFGFVMLPD-YCYIJCGRSA-N 1 0 386.480 2.971 20 0 GFADRO C[C@@H](CNC(=O)C(=O)Nc1cccc(Br)c1F)[NH+]1CCCCC1 ZINC000850353585 661771684 /nfs/dbraw/zinc/77/16/84/661771684.db2.gz HRWNCMYPFPQZHU-NSHDSACASA-N 1 0 386.265 2.517 20 0 GFADRO Cc1c(C[NH2+]CCS(=O)(=O)CC(F)(F)F)sc2nc(C)nc(C)c12 ZINC000850363785 661771829 /nfs/dbraw/zinc/77/18/29/661771829.db2.gz HRFOMLQLCAMBBB-UHFFFAOYSA-N 1 0 381.445 2.683 20 0 GFADRO O=S(=O)(CC[NH2+]Cc1ccc(Br)c(F)c1)CC(F)(F)F ZINC000850364762 661772888 /nfs/dbraw/zinc/77/28/88/661772888.db2.gz RWXMQKSPEJYVMY-UHFFFAOYSA-N 1 0 378.185 2.655 20 0 GFADRO CCOC(=O)C(F)(F)[C@H]1CCC[C@@H]([NH2+]CCC2(CS(C)(=O)=O)CC2)C1 ZINC000850486023 661778364 /nfs/dbraw/zinc/77/83/64/661778364.db2.gz QKWPDXQINDMHCM-UONOGXRCSA-N 1 0 381.485 2.548 20 0 GFADRO C[C@H]([NH2+]CC[S@](=O)CC(F)(F)F)c1ccc(-n2cncn2)cc1Cl ZINC000850491064 661778875 /nfs/dbraw/zinc/77/88/75/661778875.db2.gz KRMQOOOKQNIMLC-JUZXBQNTSA-N 1 0 380.823 2.882 20 0 GFADRO CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@H]1[NH2+]CC[S@](=O)CC(F)(F)F ZINC000850497099 661779461 /nfs/dbraw/zinc/77/94/61/661779461.db2.gz RUQRCTQVSIBLME-YGCGCYASSA-N 1 0 386.480 2.971 20 0 GFADRO C[C@H]([NH2+]CCS(=O)(=O)CC(F)(F)F)c1cc(-c2ccccc2)nn1C ZINC000850517813 661780315 /nfs/dbraw/zinc/78/03/15/661780315.db2.gz CTIRYGUULQPBES-LBPRGKRZSA-N 1 0 375.416 2.715 20 0 GFADRO C[C@@H]([NH2+]CC1SCCS1)[C@@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000850562140 661781617 /nfs/dbraw/zinc/78/16/17/661781617.db2.gz XMJASNWLECRRPL-ZBFHGGJFSA-N 1 0 382.551 2.808 20 0 GFADRO CC(C)[C@@H](CC[NH2+][C@@H]1CCCC[C@H]1S(C)(=O)=O)NC(=O)OC(C)(C)C ZINC000850565480 661781785 /nfs/dbraw/zinc/78/17/85/661781785.db2.gz CCYSGADHOVBYAY-BZUAXINKSA-N 1 0 376.563 2.871 20 0 GFADRO [NH3+][C@@H]1CN(C(=O)Nc2cc(C(F)(F)F)cc(Br)n2)CC[C@H]1F ZINC000850742578 661790142 /nfs/dbraw/zinc/79/01/42/661790142.db2.gz IHXGHSPHLHEZRJ-HTQZYQBOSA-N 1 0 385.159 2.766 20 0 GFADRO Cn1c(Cl)cnc1-c1csc(NC(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)n1 ZINC000850753693 661790223 /nfs/dbraw/zinc/79/02/23/661790223.db2.gz BUFULWGODPUUQB-AXFHLTTASA-N 1 0 380.905 2.788 20 0 GFADRO CC(C)[N@@H+]1CCO[C@@H](COC(=O)[C@]2(C)CC2(Br)Br)C1 ZINC000850943036 661798376 /nfs/dbraw/zinc/79/83/76/661798376.db2.gz LRLMJVVBWDYFKO-PWSUYJOCSA-N 1 0 399.123 2.535 20 0 GFADRO C[C@@]1(C(=O)N[C@H](C[NH3+])C2CCCCC2)CC1(Br)Br ZINC000851633876 661826971 /nfs/dbraw/zinc/82/69/71/661826971.db2.gz WZOLZBXBWDUHIS-PWSUYJOCSA-N 1 0 382.140 2.906 20 0 GFADRO CCOP(=O)(OCC)[C@@H](O)C[N@@H+]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000851734465 661829593 /nfs/dbraw/zinc/82/95/93/661829593.db2.gz SJGLKZCMFWEKEY-ZIAGYGMSSA-N 1 0 380.422 2.560 20 0 GFADRO C[C@H]([NH2+]CCn1cnc(Br)n1)c1ccc(N2CCCC2=O)cc1 ZINC000851896266 661844201 /nfs/dbraw/zinc/84/42/01/661844201.db2.gz CKDHFQNUTSFFPU-LBPRGKRZSA-N 1 0 378.274 2.518 20 0 GFADRO CCC(CC)[C@H](CNC(=O)NCCC1SCCS1)[NH+]1CCOCC1 ZINC000851944337 661846683 /nfs/dbraw/zinc/84/66/83/661846683.db2.gz MFXWJOUGQQWPQK-HNNXBMFYSA-N 1 0 375.604 2.619 20 0 GFADRO C[C@H]1CCC[N@H+](CCCCNC(=O)N2CCn3ncc(Br)c3C2)C1 ZINC000851980267 661847715 /nfs/dbraw/zinc/84/77/15/661847715.db2.gz DGMDIBCLLNDUHL-AWEZNQCLSA-N 1 0 398.349 2.683 20 0 GFADRO C[C@@H]([NH2+]CC(=O)Nc1ccc(Cl)nc1)C1CCN(CC(F)(F)F)CC1 ZINC000852017038 661849294 /nfs/dbraw/zinc/84/92/94/661849294.db2.gz RIGIFIGLGPKBPQ-LLVKDONJSA-N 1 0 378.826 2.926 20 0 GFADRO Brc1ncn(CC[N@@H+]2C[C@H](c3ccccc3)[C@H]3COCC[C@H]32)n1 ZINC000852042524 661850415 /nfs/dbraw/zinc/85/04/15/661850415.db2.gz XKYIVCPNHCQRSU-BZUAXINKSA-N 1 0 377.286 2.545 20 0 GFADRO C[C@H]([NH2+]CCn1cnc(Br)n1)c1ccc(N2CCCOC2=O)cc1 ZINC000852083846 661852175 /nfs/dbraw/zinc/85/21/75/661852175.db2.gz MIWBHKLRECYLLM-LBPRGKRZSA-N 1 0 394.273 2.738 20 0 GFADRO O=C(NC1CC[NH+](C2CCCC2)CC1)N1CCn2ncc(Br)c2C1 ZINC000852171079 661855512 /nfs/dbraw/zinc/85/55/12/661855512.db2.gz XNZODHGABDMRFX-UHFFFAOYSA-N 1 0 396.333 2.578 20 0 GFADRO C[NH+](C)[C@@]1(CNC(=O)NC[C@@H](O)c2ccc(Cl)c(Cl)c2)CCSC1 ZINC000852181360 661855826 /nfs/dbraw/zinc/85/58/26/661855826.db2.gz ABJVXSIMCMHQJC-GDBMZVCRSA-N 1 0 392.352 2.763 20 0 GFADRO C[C@@]1(CNC(=O)NCC2CC[NH+](C3CCOCC3)CC2)CC1(Cl)Cl ZINC000852369145 661862668 /nfs/dbraw/zinc/86/26/68/661862668.db2.gz URUHHFZIUYECDU-INIZCTEOSA-N 1 0 378.344 2.761 20 0 GFADRO O=C(CCC[N@@H+]1CC[C@H](N2CCOC2=O)C1)c1ccc(Br)cc1 ZINC000852438038 661864036 /nfs/dbraw/zinc/86/40/36/661864036.db2.gz LSZBYVUYGOMMFT-HNNXBMFYSA-N 1 0 381.270 2.939 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)NC[C@H](O)c2ccccc2Br)C1 ZINC000852468823 661865341 /nfs/dbraw/zinc/86/53/41/661865341.db2.gz QWLAOHLUXCMHGQ-WFASDCNBSA-N 1 0 384.318 2.655 20 0 GFADRO CCS(=O)(=O)CC[N@@H+]1CCC[C@@H](C)[C@H]1CCCNC(=O)OC(C)(C)C ZINC000852597899 661867623 /nfs/dbraw/zinc/86/76/23/661867623.db2.gz KHVRAOPMMMOFHL-HZPDHXFCSA-N 1 0 376.563 2.827 20 0 GFADRO CCOC(=O)CC1([NH2+]C[C@@H](O)c2ccc(Br)cc2)CCOCC1 ZINC000852727576 661872306 /nfs/dbraw/zinc/87/23/06/661872306.db2.gz OBTKIKOZJXAWKA-OAHLLOKOSA-N 1 0 386.286 2.575 20 0 GFADRO O=C(NC[C@@H](O)c1c(Cl)cccc1Cl)c1cc(C2CC[NH2+]CC2)no1 ZINC000852809421 661875119 /nfs/dbraw/zinc/87/51/19/661875119.db2.gz FEKPFSLPSFUUHQ-CQSZACIVSA-N 1 0 384.263 2.912 20 0 GFADRO CC[C@H]1CN(C(=O)c2cnn(-c3ccccc3)c2Br)CC[C@H]1[NH3+] ZINC000852877877 661876171 /nfs/dbraw/zinc/87/61/71/661876171.db2.gz FEXUHFHVPODMNY-SWLSCSKDSA-N 1 0 377.286 2.834 20 0 GFADRO CS(=O)(=O)c1cc(C(=O)N2CCC[C@H](C3CC[NH2+]CC3)C2)ccc1Cl ZINC000852897516 661876643 /nfs/dbraw/zinc/87/66/43/661876643.db2.gz CPYXVSCTXQRBQS-HNNXBMFYSA-N 1 0 384.929 2.595 20 0 GFADRO CC(C)[NH2+]CCC(=O)N1CC[C@@]2(C)[C@@H](C1)C2(Br)Br ZINC000852901561 661876778 /nfs/dbraw/zinc/87/67/78/661876778.db2.gz KPIMHMWXRAWWHG-PWSUYJOCSA-N 1 0 382.140 2.729 20 0 GFADRO C[C@@H]1CCN(C(=O)c2cnn(-c3ccccc3)c2Br)[C@H](C[NH3+])C1 ZINC000852911709 661877093 /nfs/dbraw/zinc/87/70/93/661877093.db2.gz ASOHGSICKKUPFS-OCCSQVGLSA-N 1 0 377.286 2.834 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CNC(=S)NC[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC000853033082 661879114 /nfs/dbraw/zinc/87/91/14/661879114.db2.gz ZESYIAKTECPNMQ-DOMZBBRYSA-N 1 0 376.353 2.975 20 0 GFADRO CN([C@@H](C[NH3+])C(F)(F)F)S(=O)(=O)/C=C/c1cccc(Br)c1 ZINC000853081834 661881670 /nfs/dbraw/zinc/88/16/70/661881670.db2.gz WUUOFFLXXDCCSC-QRGHLMKCSA-N 1 0 387.221 2.571 20 0 GFADRO O=C1CC[C@H]2C[N@H+](Cn3ccc(-c4ccc(Br)cc4)n3)CC[C@@H]2N1 ZINC000853556576 661892393 /nfs/dbraw/zinc/89/23/93/661892393.db2.gz FXVQTXFQEKAGRE-HOCLYGCPSA-N 1 0 389.297 2.871 20 0 GFADRO O=C1C[C@H](c2noc(-c3sc4c(c3Br)C[NH2+]C4)n2)CN1C1CC1 ZINC000854141673 661916238 /nfs/dbraw/zinc/91/62/38/661916238.db2.gz KNIGFRVMNBDPBH-ZETCQYMHSA-N 1 0 395.282 2.642 20 0 GFADRO [NH3+][C@H]1C[C@H](c2nc(Cc3cc(Br)c4c(c3)OCCCO4)no2)C1 ZINC000854146739 661916586 /nfs/dbraw/zinc/91/65/86/661916586.db2.gz ZLFUOLZANXQEBA-XYPYZODXSA-N 1 0 380.242 2.789 20 0 GFADRO C[C@@]1(C(=O)NCCC[NH+]2CCCCC2)CC1(Br)Br ZINC000854278451 661922022 /nfs/dbraw/zinc/92/20/22/661922022.db2.gz VQBSDQINXKNMDI-LBPRGKRZSA-N 1 0 382.140 2.875 20 0 GFADRO CC[C@@H](C)[NH+]1CCN(C(=O)[C@@]2(C)CC2(Br)Br)CC1 ZINC000854850913 661956969 /nfs/dbraw/zinc/95/69/69/661956969.db2.gz PDFFPIDZWFMQGX-ZYHUDNBSSA-N 1 0 382.140 2.825 20 0 GFADRO CC1=NO[C@H](C(=O)Nc2cc(Br)ccc2N(C)CC[NH+](C)C)C1 ZINC000854988573 661964744 /nfs/dbraw/zinc/96/47/44/661964744.db2.gz ANOKHFFXJOLVBN-HNNXBMFYSA-N 1 0 383.290 2.550 20 0 GFADRO CCS(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)c1 ZINC000855159827 661973615 /nfs/dbraw/zinc/97/36/15/661973615.db2.gz ICTPUOZTAPOPJT-ZDUSSCGKSA-N 1 0 386.945 2.984 20 0 GFADRO CN(CCC[NH+](C)C)CCNC(=O)c1cc2c(cccc2Br)[nH]1 ZINC000855417348 661991670 /nfs/dbraw/zinc/99/16/70/661991670.db2.gz YVZASFUBTLNBQW-UHFFFAOYSA-N 1 0 381.318 2.544 20 0 GFADRO Cc1ccc(Br)nc1C(=O)N1CC2(CCCC2)OC[C@H]1C[NH+](C)C ZINC000856410624 662032546 /nfs/dbraw/zinc/03/25/46/662032546.db2.gz LHWBQLMKCAGQMU-CQSZACIVSA-N 1 0 396.329 2.868 20 0 GFADRO C[NH+](C)CCC[C@H]1CN(C(=O)c2c(Cl)nccc2C(F)(F)F)CCO1 ZINC000856430250 662033582 /nfs/dbraw/zinc/03/35/82/662033582.db2.gz USUANEHKCVWLCZ-NSHDSACASA-N 1 0 379.810 2.937 20 0 GFADRO C[NH+](C)CCC[C@@H]1CN(C(=O)c2cc(Cl)ncc2Br)CCO1 ZINC000856431105 662033588 /nfs/dbraw/zinc/03/35/88/662033588.db2.gz PWBOKPDGZULBGW-LLVKDONJSA-N 1 0 390.709 2.680 20 0 GFADRO COCCS(=O)(=O)CCC[NH2+][C@H](C)c1ccc(C(F)(F)F)nc1Cl ZINC000856780165 662044011 /nfs/dbraw/zinc/04/40/11/662044011.db2.gz FIQJAXRGDGHZFR-SNVBAGLBSA-N 1 0 388.839 2.856 20 0 GFADRO Cn1nccc1[C@@H](O)C1CC[NH+](C[C@H](O)c2ccccc2Br)CC1 ZINC000856799303 662044596 /nfs/dbraw/zinc/04/45/96/662044596.db2.gz PODQFMTYLGCRKH-ROUUACIJSA-N 1 0 394.313 2.662 20 0 GFADRO CCOC(=O)C1CCN(C(=O)C[C@H](C)[NH2+]CC[C@H]2CC2(Cl)Cl)CC1 ZINC000857065539 662062381 /nfs/dbraw/zinc/06/23/81/662062381.db2.gz QKMCDJWASVAJPD-JSGCOSHPSA-N 1 0 379.328 2.740 20 0 GFADRO C[C@H]([NH3+])CCNC(=O)N[C@H](CO)c1ccc(Br)cc1C(F)(F)F ZINC000857109026 662063808 /nfs/dbraw/zinc/06/38/08/662063808.db2.gz UZEGKPOMOQQPOA-QPUJVOFHSA-N 1 0 398.223 2.538 20 0 GFADRO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NC[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC000857331994 662073745 /nfs/dbraw/zinc/07/37/45/662073745.db2.gz KFZUWTWXSZRMNX-IAGOWNOFSA-N 1 0 389.323 2.936 20 0 GFADRO C[NH+](C)Cc1ccc(C(=O)N2CC(O)(c3cccc(Br)c3)C2)cc1 ZINC000857421777 662080054 /nfs/dbraw/zinc/08/00/54/662080054.db2.gz RNEHYUABMAAUOD-UHFFFAOYSA-N 1 0 389.293 2.854 20 0 GFADRO Cc1cnn(CC(=O)N2C[C@H]([NH+](C)C)CCc3cc(Br)ccc32)c1 ZINC000857882140 662093664 /nfs/dbraw/zinc/09/36/64/662093664.db2.gz GIQLWHMQIKWOBV-MRXNPFEDSA-N 1 0 391.313 2.864 20 0 GFADRO Cn1cc(CNc2ccc(C[NH+]3CCC(O)CC3)cc2)c(Br)n1 ZINC000858139889 662101044 /nfs/dbraw/zinc/10/10/44/662101044.db2.gz SSNBQCPFKVYDKT-UHFFFAOYSA-N 1 0 379.302 2.751 20 0 GFADRO Cn1cc(C[NH2+][C@H]2CCN(C)[C@H]2c2ccc(F)c(F)c2)c(Br)n1 ZINC000858154563 662102177 /nfs/dbraw/zinc/10/21/77/662102177.db2.gz LOOYQNRFBHQALZ-GJZGRUSLSA-N 1 0 385.256 2.996 20 0 GFADRO CCOc1c(Br)cc(C[NH2+]CC(=O)N(CC)OCC)cc1OC ZINC000858218505 662104813 /nfs/dbraw/zinc/10/48/13/662104813.db2.gz NWEQCSAISSFVPD-UHFFFAOYSA-N 1 0 389.290 2.746 20 0 GFADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)OCc2ccc(Br)cc2)CC1 ZINC000859024358 662132377 /nfs/dbraw/zinc/13/23/77/662132377.db2.gz FALDKEBRPYAGOA-HNNXBMFYSA-N 1 0 398.345 2.949 20 0 GFADRO CCC[N@H+](CC)C[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)OC)c(Cl)c1 ZINC000859166044 662141904 /nfs/dbraw/zinc/14/19/04/662141904.db2.gz PFOYBQKWRFGRIF-GFCCVEGCSA-N 1 0 391.921 2.917 20 0 GFADRO CC[C@H](C(=O)N[C@@H](C)CN1CC[NH+](C)CC1)c1ccc(Br)cc1 ZINC000859262066 662148780 /nfs/dbraw/zinc/14/87/80/662148780.db2.gz IRCUEYROYALWMW-YOEHRIQHSA-N 1 0 382.346 2.695 20 0 GFADRO Cc1ccc(NC(=O)N2CCC(CO[C@@H]3CC[NH2+]C3)CC2)c(Br)n1 ZINC000859664467 662171654 /nfs/dbraw/zinc/17/16/54/662171654.db2.gz CNDDTXYCMWUAJY-CQSZACIVSA-N 1 0 397.317 2.775 20 0 GFADRO Cc1cc(Br)nc(NC(=O)N2CCC(CO[C@@H]3CC[NH2+]C3)CC2)c1 ZINC000859695135 662172717 /nfs/dbraw/zinc/17/27/17/662172717.db2.gz SKIITFOPUKVWSN-CQSZACIVSA-N 1 0 397.317 2.775 20 0 GFADRO CN(C)C[C@H]([NH2+]CC(=O)NCc1ccccn1)c1ccc(Cl)c(Cl)c1 ZINC000859846369 662176702 /nfs/dbraw/zinc/17/67/02/662176702.db2.gz RGIFGKOSGJVDIK-KRWDZBQOSA-N 1 0 381.307 2.897 20 0 GFADRO C[NH+](C)CCN(Cc1cccc(O)c1)C(=O)c1cc(Br)cnc1F ZINC000860236717 662193448 /nfs/dbraw/zinc/19/34/48/662193448.db2.gz AUITVHNDEWCQMB-UHFFFAOYSA-N 1 0 396.260 2.893 20 0 GFADRO CC(C)[NH+]1CCN(CCCOC(=O)c2c(N)cccc2Br)CC1 ZINC000860428465 662200499 /nfs/dbraw/zinc/20/04/99/662200499.db2.gz NWGUHQJWWVNDNR-UHFFFAOYSA-N 1 0 384.318 2.604 20 0 GFADRO CS[C@H]1CN(C(=O)c2cc(Br)cc(C=O)c2)C[C@H]1[NH+]1CCCC1 ZINC000860785807 662215710 /nfs/dbraw/zinc/21/57/10/662215710.db2.gz KVEUNYYVAOZFQT-CVEARBPZSA-N 1 0 397.338 2.913 20 0 GFADRO CC1([NH+]2CCOCC2)CCN(C(=O)Nc2ncc(C(F)(F)F)s2)CC1 ZINC000861010680 662224243 /nfs/dbraw/zinc/22/42/43/662224243.db2.gz RPMCXCAJNYWYIB-UHFFFAOYSA-N 1 0 378.420 2.881 20 0 GFADRO O=C(N[C@@H]1C[NH2+]CCC1(F)F)N1CCc2cc(F)cc(Br)c2C1 ZINC000861646011 662253224 /nfs/dbraw/zinc/25/32/24/662253224.db2.gz NQTSOUFETCNIMU-CYBMUJFWSA-N 1 0 392.219 2.653 20 0 GFADRO [NH3+]CCCOCCNC(=O)N1CCc2c(Br)ccc(Cl)c2C1 ZINC000861693711 662255353 /nfs/dbraw/zinc/25/53/53/662255353.db2.gz XDNBZOJPFBABAL-UHFFFAOYSA-N 1 0 390.709 2.536 20 0 GFADRO O=C(N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1)C(F)(F)c1cccc(Cl)c1Cl ZINC000861719837 662255575 /nfs/dbraw/zinc/25/55/75/662255575.db2.gz PNIHFWWCBIMEPS-GHMZBOCLSA-N 1 0 379.234 2.753 20 0 GFADRO CC[C@@H](C(=O)N[C@@H]1CCC[N@H+](CCCO)C1)c1ccc(Br)cc1 ZINC000861863535 662261745 /nfs/dbraw/zinc/26/17/45/662261745.db2.gz RKKYFRWJCZKJCX-IAGOWNOFSA-N 1 0 383.330 2.906 20 0 GFADRO O=C(CSc1nc2ccccc2s1)N1CCC([NH+]2CCOCC2)CC1 ZINC000862215884 662274177 /nfs/dbraw/zinc/27/41/77/662274177.db2.gz PPNRCBPBHNHCGQ-UHFFFAOYSA-N 1 0 377.535 2.712 20 0 GFADRO Cn1cc(CN2CC[C@H]([N@H+](C)CCc3ccccc3)C2)c(Br)n1 ZINC000862413869 662286364 /nfs/dbraw/zinc/28/63/64/662286364.db2.gz FIINOEXFCPZSTQ-KRWDZBQOSA-N 1 0 377.330 2.931 20 0 GFADRO CC1([NH+]2CCOCC2)CCN(Cc2nc3ccccn3c2Br)CC1 ZINC000862504680 662289528 /nfs/dbraw/zinc/28/95/28/662289528.db2.gz LBSNKGUDOSPYKG-UHFFFAOYSA-N 1 0 393.329 2.784 20 0 GFADRO CC(C)c1nnnn1CC(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000863036500 662308985 /nfs/dbraw/zinc/30/89/85/662308985.db2.gz BWOGTUUVNYVQED-CQSZACIVSA-N 1 0 385.299 2.522 20 0 GFADRO COC(=O)c1ncn(C[N@@H+]2C[C@@H](c3ccc(Br)cc3)C[C@@H]2C)n1 ZINC000863323974 662320606 /nfs/dbraw/zinc/32/06/06/662320606.db2.gz WRUHNYJKDLUQLC-AAEUAGOBSA-N 1 0 379.258 2.663 20 0 GFADRO CCC1([NH+]2CCOCC2)CCN(Cn2nc(OC(C)C)sc2=S)CC1 ZINC000863327326 662321020 /nfs/dbraw/zinc/32/10/20/662321020.db2.gz DUVXTKZGJQGTEU-UHFFFAOYSA-N 1 0 386.587 2.996 20 0 GFADRO CCC1([NH+]2CCOCC2)CCN(C(=O)c2ccc(C)nc2Br)CC1 ZINC000863492444 662335063 /nfs/dbraw/zinc/33/50/63/662335063.db2.gz XEBIAVWIZOVGBP-UHFFFAOYSA-N 1 0 396.329 2.870 20 0 GFADRO C[NH+](C)CC[C@](C)(O)CNC(=O)C(C)(C)[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000863908072 662349550 /nfs/dbraw/zinc/34/95/50/662349550.db2.gz MFTYNAJFGXWFBG-YJBOKZPZSA-N 1 0 391.339 2.872 20 0 GFADRO CC(C)(C)n1cc(Br)c(C(=O)N[C@H]2[C@H]3CCC[NH2+][C@H]3C2(C)C)n1 ZINC000864088669 662354435 /nfs/dbraw/zinc/35/44/35/662354435.db2.gz HHXXLLNIYFLQQK-GDLCADMTSA-N 1 0 383.334 2.907 20 0 GFADRO C[NH+]1CCC(CNC(=O)c2cc(Br)ncc2Br)CC1 ZINC000865094807 662398570 /nfs/dbraw/zinc/39/85/70/662398570.db2.gz HLWWORQLXKVLNA-UHFFFAOYSA-N 1 0 391.107 2.678 20 0 GFADRO C[NH+]1CCC(NC(=O)CSc2nnc(Nc3ccccc3F)s2)CC1 ZINC000865344060 662414646 /nfs/dbraw/zinc/41/46/46/662414646.db2.gz XJFJTDUFLUYNTL-UHFFFAOYSA-N 1 0 381.502 2.723 20 0 GFADRO COc1ncc(Br)cc1CNCC1([NH+]2CCCC2)CCOCC1 ZINC000865453208 662422296 /nfs/dbraw/zinc/42/22/96/662422296.db2.gz WLMIYUVEINOFMK-UHFFFAOYSA-N 1 0 384.318 2.587 20 0 GFADRO O=S(=O)(C(F)F)N1CCC(C[NH2+]Cc2c(Cl)cncc2Cl)CC1 ZINC000865460200 662422947 /nfs/dbraw/zinc/42/29/47/662422947.db2.gz OSUXMDHUQFYRLL-UHFFFAOYSA-N 1 0 388.267 2.742 20 0 GFADRO C[C@H](C[NH2+]Cc1cn(C[C@H]2CCCO2)nn1)Oc1ccc(Br)cc1 ZINC000865480656 662424069 /nfs/dbraw/zinc/42/40/69/662424069.db2.gz ANAZGGCJFVQODZ-CXAGYDPISA-N 1 0 395.301 2.777 20 0 GFADRO COc1ncc(Br)cc1C[NH2+][C@H]1CCN(c2ncccc2F)C1 ZINC000865489025 662424975 /nfs/dbraw/zinc/42/49/75/662424975.db2.gz LMKFMYKSOOORJK-ZDUSSCGKSA-N 1 0 381.249 2.755 20 0 GFADRO O=C(c1cc(Br)cn2ccnc12)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000865590403 662430897 /nfs/dbraw/zinc/43/08/97/662430897.db2.gz XHGDNVRNGGXMCL-AWEZNQCLSA-N 1 0 377.286 2.797 20 0 GFADRO CNC(=O)[C@@H](C[NH2+]Cc1cccnc1Br)Cc1ccc(F)cc1C ZINC000865613151 662432051 /nfs/dbraw/zinc/43/20/51/662432051.db2.gz OOPJWJPPXHVRJH-OAHLLOKOSA-N 1 0 394.288 2.986 20 0 GFADRO OC[C@]1([NH2+]Cc2cn(C3CC3)cn2)CCc2cc(Br)ccc2C1 ZINC000865639905 662433399 /nfs/dbraw/zinc/43/33/99/662433399.db2.gz BENWWJKRIPNISO-SFHVURJKSA-N 1 0 376.298 2.990 20 0 GFADRO Brc1cccc2c1C[C@@H]1[C@H]([NH2+]Cc3cn(C[C@H]4CCCO4)nn3)[C@H]21 ZINC000865657998 662434457 /nfs/dbraw/zinc/43/44/57/662434457.db2.gz UTLFWSOCGDXIAG-XGWTYTTDSA-N 1 0 389.297 2.648 20 0 GFADRO Cn1cc(C[NH2+]CCC2(O)CCN(c3ccccc3)CC2)c(Br)n1 ZINC000865689687 662437056 /nfs/dbraw/zinc/43/70/56/662437056.db2.gz MRHYZDJWWJKVIT-UHFFFAOYSA-N 1 0 393.329 2.694 20 0 GFADRO O=C1OC[C@@]2(C[NH2+]Cc3cnc(-c4ccc(Cl)cc4)s3)COCCN12 ZINC000865770810 662442279 /nfs/dbraw/zinc/44/22/79/662442279.db2.gz PIXBUMAESAASKT-QGZVFWFLSA-N 1 0 379.869 2.774 20 0 GFADRO Brc1cc(C[NH2+]C[C@@H]2CC3(CO2)CCOCC3)cc2c1OCO2 ZINC000865780805 662442942 /nfs/dbraw/zinc/44/29/42/662442942.db2.gz ASGZFLGEBITHDO-ZDUSSCGKSA-N 1 0 384.270 2.853 20 0 GFADRO CC(C)(C)OC(=O)CN1CCC([NH2+]Cc2cccnc2Br)CC1 ZINC000865776925 662443049 /nfs/dbraw/zinc/44/30/49/662443049.db2.gz OHXSXUBFLXFLRI-UHFFFAOYSA-N 1 0 384.318 2.740 20 0 GFADRO CNS(=O)(=O)c1ccc(CC[NH2+]Cc2cscc2Br)cc1 ZINC000865817541 662445248 /nfs/dbraw/zinc/44/52/48/662445248.db2.gz BWYAGDDKASVYDH-UHFFFAOYSA-N 1 0 389.340 2.751 20 0 GFADRO C[N@@H+]1CCCN(CCCNC(=O)/C=C/c2ccsc2C(F)(F)F)CC1 ZINC000865818457 662445477 /nfs/dbraw/zinc/44/54/77/662445477.db2.gz XAUDOBMYPKXNGC-SNAWJCMRSA-N 1 0 375.460 2.924 20 0 GFADRO C[C@H](C[NH2+]Cc1nc2c(c(=O)[nH]1)COCC2)c1cccc(Br)c1 ZINC000865866339 662447983 /nfs/dbraw/zinc/44/79/83/662447983.db2.gz KAVWGDOWFVEWKR-LLVKDONJSA-N 1 0 378.270 2.911 20 0 GFADRO CCOC(=O)C(F)(F)[C@@H]1CC[C@H]([NH2+]Cc2c(Br)cnn2C)C1 ZINC000866431179 662472855 /nfs/dbraw/zinc/47/28/55/662472855.db2.gz JTOWVCBBXYTTNT-ZJUUUORDSA-N 1 0 380.233 2.639 20 0 GFADRO C[C@@H]([NH2+]CC(C)(C)CS(N)(=O)=O)c1cc(F)c(Br)cc1F ZINC000866571594 662480819 /nfs/dbraw/zinc/48/08/19/662480819.db2.gz DMTFAZVEAJGXBR-MRVPVSSYSA-N 1 0 385.274 2.693 20 0 GFADRO CC(C)(C[NH2+][C@@H]1CCSc2ccc(Br)cc21)CS(N)(=O)=O ZINC000866571150 662480836 /nfs/dbraw/zinc/48/08/36/662480836.db2.gz VJGOFDIVJQQJPQ-GFCCVEGCSA-N 1 0 393.372 2.890 20 0 GFADRO CC[C@H](C[C@H](C)O)[NH2+][C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000866632844 662486217 /nfs/dbraw/zinc/48/62/17/662486217.db2.gz CIHKISPPZKBAQK-SUHUHFCYSA-N 1 0 376.316 2.807 20 0 GFADRO C/C(=C\c1ccc(Br)o1)C(=O)NCCCC[N@@H+]1CCC[C@@H]1CO ZINC000866783801 662498330 /nfs/dbraw/zinc/49/83/30/662498330.db2.gz VWKSFOTXHSSUSV-YPDDLIOESA-N 1 0 385.302 2.799 20 0 GFADRO Cc1cc(Br)c(S(=O)(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)s1 ZINC000866809242 662500523 /nfs/dbraw/zinc/50/05/23/662500523.db2.gz HGCGQYOWOHEZGY-JGPRNRPPSA-N 1 0 379.345 2.628 20 0 GFADRO Cc1csc(-c2ccc(S(=O)(=O)NC[C@H]3C[C@H]4CC[C@@H](C3)[NH2+]4)cc2)n1 ZINC000866809825 662500801 /nfs/dbraw/zinc/50/08/01/662500801.db2.gz NOUQFIDQQPXSKL-RBVVOMGSSA-N 1 0 377.535 2.927 20 0 GFADRO O=S(=O)(c1oc2ccccc2c1Br)N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000866820006 662501844 /nfs/dbraw/zinc/50/18/44/662501844.db2.gz PAUVBEOZINSPBD-YPMHNXCESA-N 1 0 399.310 2.958 20 0 GFADRO O=S(=O)(c1ccc(Cl)cc1Br)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000866825371 662502206 /nfs/dbraw/zinc/50/22/06/662502206.db2.gz QBMPPBXAJKXRNW-RYUDHWBXSA-N 1 0 379.707 2.618 20 0 GFADRO C[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2ccc(F)nc2F)[C@@H]1c1cccs1 ZINC000866865692 662504817 /nfs/dbraw/zinc/50/48/17/662504817.db2.gz RIYRAYTZIUIBMG-XHDPSFHLSA-N 1 0 387.477 2.783 20 0 GFADRO CC(C)n1ncc(C(=O)N2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)c1Br ZINC000866864944 662504832 /nfs/dbraw/zinc/50/48/32/662504832.db2.gz DWFUDWPIFZEVSU-NWANDNLSSA-N 1 0 399.333 2.550 20 0 GFADRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1S(=O)(=O)c1cc2nc(Cl)ncc2s1 ZINC000867261904 662536667 /nfs/dbraw/zinc/53/66/67/662536667.db2.gz ONBIHBOSMFIWFZ-QWRGUYRKSA-N 1 0 386.930 2.592 20 0 GFADRO CC[N@@H+]1CCCN(S(=O)(=O)c2cnc(Cl)c(Br)c2)[C@@H](C)C1 ZINC000867396016 662547251 /nfs/dbraw/zinc/54/72/51/662547251.db2.gz VAYQXJMYSRJVKQ-JTQLQIEISA-N 1 0 396.738 2.602 20 0 GFADRO CC[N@@H+]1CCCN(S(=O)(=O)c2ccc(NC(=O)OC)c(Cl)c2)[C@H](C)C1 ZINC000867395624 662547297 /nfs/dbraw/zinc/54/72/97/662547297.db2.gz OFZIWJLUFQRAAC-GFCCVEGCSA-N 1 0 389.905 2.623 20 0 GFADRO C[NH+](C)Cc1ccc(S(=O)(=O)Oc2ccccc2N=S(C)(C)=O)cc1 ZINC000867570613 662559894 /nfs/dbraw/zinc/55/98/94/662559894.db2.gz NXRLTPXXIRRJLE-UHFFFAOYSA-N 1 0 382.507 2.875 20 0 GFADRO CC1([NH+]2CCCC2)CCN(S(=O)(=O)c2c(Cl)nc3ccccn32)CC1 ZINC000867599891 662561870 /nfs/dbraw/zinc/56/18/70/662561870.db2.gz GBMILQJZDLXKQZ-UHFFFAOYSA-N 1 0 382.917 2.627 20 0 GFADRO Cc1cc(Br)sc1S(=O)(=O)N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000867810855 662578619 /nfs/dbraw/zinc/57/86/19/662578619.db2.gz KCVVVNAQYGKRHX-MNOVXSKESA-N 1 0 379.345 2.534 20 0 GFADRO Cc1noc([C@H]2CCCN(C(=O)[C@@H]([NH3+])c3cccc(Br)c3)C2)n1 ZINC000867927742 662587657 /nfs/dbraw/zinc/58/76/57/662587657.db2.gz MYFMCBVOOBGQJN-JSGCOSHPSA-N 1 0 379.258 2.547 20 0 GFADRO O=C(NCC[NH2+]C1CC1)c1c(F)ccc(I)c1Cl ZINC000867962470 662589624 /nfs/dbraw/zinc/58/96/24/662589624.db2.gz BSRLNVHLRKFVMS-UHFFFAOYSA-N 1 0 382.604 2.566 20 0 GFADRO Cc1nn(C)c(C)c1CCCNC(=O)[C@H]([NH3+])c1cccc(Br)c1 ZINC000867979861 662590463 /nfs/dbraw/zinc/59/04/63/662590463.db2.gz PGPOOYVUOGQXHI-MRXNPFEDSA-N 1 0 379.302 2.548 20 0 GFADRO C[C@H](CNC(=O)NCc1ncc(Br)s1)[N@@H+]1CCCC[C@H]1C ZINC000868053379 662592856 /nfs/dbraw/zinc/59/28/56/662592856.db2.gz MBUCKEOISAMFMQ-GHMZBOCLSA-N 1 0 375.336 2.968 20 0 GFADRO C[N@@H+]1CCN(CCNC(=O)/C=C/c2ccsc2C(F)(F)F)CC1(C)C ZINC000868056355 662593015 /nfs/dbraw/zinc/59/30/15/662593015.db2.gz SBTRDMYDGDJSDB-SNAWJCMRSA-N 1 0 375.460 2.922 20 0 GFADRO COCCC1(NC(=O)Nc2ccc(OC)c(Br)c2)CC[NH2+]CC1 ZINC000868123717 662595141 /nfs/dbraw/zinc/59/51/41/662595141.db2.gz KYLLGCCMVOHOEO-UHFFFAOYSA-N 1 0 386.290 2.738 20 0 GFADRO CC1(C)CC[C@H](CNC(=O)Nc2ccc(NS(C)(=O)=O)c(Cl)c2)[NH2+]C1 ZINC000868125724 662595262 /nfs/dbraw/zinc/59/52/62/662595262.db2.gz KJVHVIXBKXULCV-GFCCVEGCSA-N 1 0 388.921 2.611 20 0 GFADRO [NH3+][C@H]1C[C@H](CNC(=O)Nc2nnc(-c3cccc(Br)c3)s2)C1 ZINC000868148671 662596353 /nfs/dbraw/zinc/59/63/53/662596353.db2.gz JWYBQMYLPVQEFJ-JLIMDTESSA-N 1 0 382.287 2.826 20 0 GFADRO O=C(Nc1cc(C(F)(F)F)cc(Br)n1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000868158244 662596994 /nfs/dbraw/zinc/59/69/94/662596994.db2.gz LYOCSDQDHJUMCJ-DTORHVGOSA-N 1 0 379.180 2.831 20 0 GFADRO [NH3+][C@H]1C[C@@H](CNC(=O)Nc2cc(Cl)ccc2I)C1 ZINC000868161187 662597156 /nfs/dbraw/zinc/59/71/56/662597156.db2.gz REPPKCDGKXBXOJ-OTSSQURYSA-N 1 0 379.629 2.803 20 0 GFADRO O=C(NCc1ccc(Br)cn1)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000868168671 662597319 /nfs/dbraw/zinc/59/73/19/662597319.db2.gz RMHMHAHJKDEETI-UHFFFAOYSA-N 1 0 379.233 2.951 20 0 GFADRO [NH3+]CCN(CCO)C(=O)Nc1nc([C@@H]2CCC[C@H](C(F)(F)F)C2)cs1 ZINC000868170692 662597513 /nfs/dbraw/zinc/59/75/13/662597513.db2.gz IBCHXBBYFHOJGO-MNOVXSKESA-N 1 0 380.436 2.764 20 0 GFADRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1cc(Br)cn2ccnc12 ZINC000868335671 662602182 /nfs/dbraw/zinc/60/21/82/662602182.db2.gz MPDRDQLJLBBTNC-WFASDCNBSA-N 1 0 377.286 2.796 20 0 GFADRO O=C(c1ccc2ccc(Br)cc2c1)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000868342445 662602382 /nfs/dbraw/zinc/60/23/82/662602382.db2.gz BGSKPYHHQMTTCY-ROUUACIJSA-N 1 0 389.293 2.883 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)N[C@@H]2[C@H]3Cc4ccc(Br)cc4[C@@H]23)CC[N@@H+]1C ZINC000868375229 662603682 /nfs/dbraw/zinc/60/36/82/662603682.db2.gz ZXHTVNCYGWIJFS-NVBQRKALSA-N 1 0 378.314 2.869 20 0 GFADRO C[NH+](C)CC(C)(C)NC(=O)c1cc(Br)ncc1Br ZINC000868825665 662620971 /nfs/dbraw/zinc/62/09/71/662620971.db2.gz JIGLOCBYXUKMNK-UHFFFAOYSA-N 1 0 379.096 2.677 20 0 GFADRO COCCN(CC1CC[NH+](C)CC1)C(=O)c1cncc(Br)c1C ZINC000869760543 662660386 /nfs/dbraw/zinc/66/03/86/662660386.db2.gz VPBPZICXRSSGTL-UHFFFAOYSA-N 1 0 384.318 2.583 20 0 GFADRO Cc1cc(Br)c(C(=O)N[C@H]2CC[N@H+](CC(C)(C)O)C2)cc1Cl ZINC000869777298 662661380 /nfs/dbraw/zinc/66/13/80/662661380.db2.gz MAUPZNJISHXIBU-NSHDSACASA-N 1 0 389.721 2.986 20 0 GFADRO CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)C2(c3cc(F)cc(Br)c3)CC2)C1 ZINC000869776953 662661420 /nfs/dbraw/zinc/66/14/20/662661420.db2.gz CNTWNODZLMRQRU-HNNXBMFYSA-N 1 0 399.304 2.581 20 0 GFADRO CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)Cc2ccc(Br)cc2Cl)C1 ZINC000869786890 662662099 /nfs/dbraw/zinc/66/20/99/662662099.db2.gz MUXQOYKIFWLJOK-ZDUSSCGKSA-N 1 0 389.721 2.606 20 0 GFADRO COc1ccc(C(=O)N2CCC(C)([NH+]3CCCC3)CC2)nc1Br ZINC000870256743 662681028 /nfs/dbraw/zinc/68/10/28/662681028.db2.gz MDCXUJBOZWEWMJ-UHFFFAOYSA-N 1 0 382.302 2.943 20 0 GFADRO [NH3+]C[C@@H]1CCN(C(=O)c2c(F)ccc(I)c2Cl)C1 ZINC000870935009 662708928 /nfs/dbraw/zinc/70/89/28/662708928.db2.gz SUVMMIOQCUXUDH-ZETCQYMHSA-N 1 0 382.604 2.505 20 0 GFADRO C[C@@H]1CN(C(=O)c2c(F)ccc(I)c2Cl)CC[C@@H]1[NH3+] ZINC000870936438 662709113 /nfs/dbraw/zinc/70/91/13/662709113.db2.gz JIFOTVKXNPECLP-XCBNKYQSSA-N 1 0 396.631 2.893 20 0 GFADRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)c1c(F)ccc(I)c1Cl ZINC000870940194 662709283 /nfs/dbraw/zinc/70/92/83/662709283.db2.gz IMQWWEGFCDLVCD-XCBNKYQSSA-N 1 0 396.631 2.812 20 0 GFADRO C[C@H]([NH3+])[C@H]1CN(C(=O)c2ccc(OC(F)(F)F)cc2Br)CCO1 ZINC000870938491 662709309 /nfs/dbraw/zinc/70/93/09/662709309.db2.gz QGSDCPALPDRUBQ-QPUJVOFHSA-N 1 0 397.191 2.536 20 0 GFADRO C[C@](CO)(Cc1ccc(Br)cc1)NC(=O)C1CC[NH+](C2CC2)CC1 ZINC000870946272 662710581 /nfs/dbraw/zinc/71/05/81/662710581.db2.gz FUZUHUGIQRZNOO-LJQANCHMSA-N 1 0 395.341 2.733 20 0 GFADRO CC(C)(C)[C@@]1(C[NH3+])CCN(C(=O)c2cccnc2I)C1 ZINC000870989109 662712369 /nfs/dbraw/zinc/71/23/69/662712369.db2.gz FGSLJLZNBYKTAY-OAHLLOKOSA-N 1 0 387.265 2.523 20 0 GFADRO COC(=O)[C@@H](c1ccc(Br)s1)N(C)C(=O)CCCC[NH+](C)C ZINC000871395767 662721345 /nfs/dbraw/zinc/72/13/45/662721345.db2.gz BPZOLGDRVDLPNP-CQSZACIVSA-N 1 0 391.331 2.915 20 0 GFADRO [NH3+]C[C@H]1CN(S(=O)(=O)c2ccc(F)c(C(F)F)c2)CC[C@H]1C(F)(F)F ZINC000871805803 662734700 /nfs/dbraw/zinc/73/47/00/662734700.db2.gz QFCPBRDWPZFDLX-GZMMTYOYSA-N 1 0 390.349 2.911 20 0 GFADRO COc1ccc(S(=O)(=O)N(C)CCCCCC[NH3+])cc1Br ZINC000871818296 662735919 /nfs/dbraw/zinc/73/59/19/662735919.db2.gz AOVAMXUTUSIIFC-UHFFFAOYSA-N 1 0 379.320 2.597 20 0 GFADRO Cc1ncsc1CCS(=O)(=O)N1CCC[C@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000871822786 662736130 /nfs/dbraw/zinc/73/61/30/662736130.db2.gz LWNNESJVTTVCKQ-WBVHZDCISA-N 1 0 385.599 2.943 20 0 GFADRO CS(=O)(=O)CCC[NH2+][C@H](c1cccc(Br)c1)[C@@H]1CCOC1 ZINC000872032032 662754393 /nfs/dbraw/zinc/75/43/93/662754393.db2.gz PGWXCXQAVMQZSF-UKRRQHHQSA-N 1 0 376.316 2.551 20 0 GFADRO Cn1cc([C@H](O)C[NH2+][C@@H](c2cccc(Br)c2)[C@@H]2CCOC2)cn1 ZINC000872039451 662754505 /nfs/dbraw/zinc/75/45/05/662754505.db2.gz SZEMTERFLIUDTG-XYPHTWIQSA-N 1 0 380.286 2.583 20 0 GFADRO CC[C@@H]([NH2+]CCNS(=O)(=O)c1ccc(F)cc1Cl)[C@H]1CCCOC1 ZINC000872070652 662755124 /nfs/dbraw/zinc/75/51/24/662755124.db2.gz VUFRICDMNGZVGF-SWLSCSKDSA-N 1 0 378.897 2.552 20 0 GFADRO Cn1nnc2c1CC[C@H]([NH2+][C@@H](c1cccc(Br)c1)[C@H]1CCOC1)C2 ZINC000872083722 662755604 /nfs/dbraw/zinc/75/56/04/662755604.db2.gz NXEYGGMNSZZVRH-YEWWUXTCSA-N 1 0 391.313 2.802 20 0 GFADRO CN(Cc1c(F)cccc1Cl)C(=O)CN1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000872147471 662756395 /nfs/dbraw/zinc/75/63/95/662756395.db2.gz ISAKYXXYFQKVOE-ZYHUDNBSSA-N 1 0 381.801 2.507 20 0 GFADRO CN(Cc1c(F)cccc1Cl)C(=O)CN1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000872147463 662756441 /nfs/dbraw/zinc/75/64/41/662756441.db2.gz ISAKYXXYFQKVOE-CMPLNLGQSA-N 1 0 381.801 2.507 20 0 GFADRO C[C@H](NC(=O)[C@H](C)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1)c1ccc(Cl)cc1 ZINC000872149242 662756828 /nfs/dbraw/zinc/75/68/28/662756828.db2.gz MQSOQWYKKPOLDF-TZQJONAQSA-N 1 0 377.838 2.975 20 0 GFADRO Cc1cnn([C@@H]2CCC[NH2+]C2)c1-c1nc(-c2ccc(Br)cn2)no1 ZINC000872177655 662757363 /nfs/dbraw/zinc/75/73/63/662757363.db2.gz MCBBWYCZCBPSCY-GFCCVEGCSA-N 1 0 389.257 2.991 20 0 GFADRO CCOc1ccc(Br)cc1-c1noc([C@@]2(C[NH3+])CCCOC2)n1 ZINC000872178595 662757388 /nfs/dbraw/zinc/75/73/88/662757388.db2.gz YXNYBPQPSBFNCY-MRXNPFEDSA-N 1 0 382.258 2.905 20 0 GFADRO CC(C)(O)C[C@H](O)C[NH2+]Cc1cc(Cl)cc(I)c1 ZINC000872210321 662758079 /nfs/dbraw/zinc/75/80/79/662758079.db2.gz VWSWNDURPSGNSD-LBPRGKRZSA-N 1 0 383.657 2.556 20 0 GFADRO O[C@H](C[NH2+]C[C@H]1CC2(CO1)CCOCC2)c1ccc(F)c(Br)c1 ZINC000872230296 662758434 /nfs/dbraw/zinc/75/84/34/662758434.db2.gz XKIKYMJSKSOOIE-CZUORRHYSA-N 1 0 388.277 2.797 20 0 GFADRO O=C1CC[C@H]([NH+]2CCN(c3nc4c(cc(Cl)cc4F)s3)CC2)CCN1 ZINC000872564914 662777132 /nfs/dbraw/zinc/77/71/32/662777132.db2.gz MJUSMQAFGSYPGX-LBPRGKRZSA-N 1 0 382.892 2.880 20 0 GFADRO C[N@@H+]1CC[C@H]2CN(CN3CC(c4ccc(Br)cc4)=CC3=O)CC[C@H]21 ZINC000872722591 662786627 /nfs/dbraw/zinc/78/66/27/662786627.db2.gz FOVNECBJCCSSKS-MAUKXSAKSA-N 1 0 390.325 2.658 20 0 GFADRO Fc1cccc(C[NH2+]CCOC[C@H]2CCOC2)c1I ZINC000873048555 662797423 /nfs/dbraw/zinc/79/74/23/662797423.db2.gz DLKSMQQIEQOUPF-NSHDSACASA-N 1 0 379.213 2.573 20 0 GFADRO Cc1ccc(Br)c(F)c1C[NH2+]C[C@@H]1CCC[C@@]12NC(=O)N(C)C2=O ZINC000873068801 662798244 /nfs/dbraw/zinc/79/82/44/662798244.db2.gz AKTYQMOXLCNNDR-APPDUMDISA-N 1 0 398.276 2.707 20 0 GFADRO O=S1(=O)CCC[C@@H]([NH2+]C[C@](O)(c2ccc(Cl)cc2)C(F)(F)F)CC1 ZINC000873073622 662798920 /nfs/dbraw/zinc/79/89/20/662798920.db2.gz ZZVMSUCZGWVBNG-KGLIPLIRSA-N 1 0 385.835 2.647 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)C(=O)Nc2cc(Cl)ccc2Cl)C[C@H]1C(F)(F)F ZINC000873104389 662799808 /nfs/dbraw/zinc/79/98/08/662799808.db2.gz MNADZWBHCOKFMD-IONNQARKSA-N 1 0 384.185 2.528 20 0 GFADRO CCO[C@H]1COCC[C@@H]1[NH2+]Cc1cccc(F)c1I ZINC000873105502 662799982 /nfs/dbraw/zinc/79/99/82/662799982.db2.gz XNSCUIPBAHFSFH-STQMWFEESA-N 1 0 379.213 2.714 20 0 GFADRO CC(C)OC1(C[NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)CCC1 ZINC000873166752 662802392 /nfs/dbraw/zinc/80/23/92/662802392.db2.gz BQWWYNLESUKSIS-UHFFFAOYSA-N 1 0 391.331 2.534 20 0 GFADRO COc1cc(NC(=O)N2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc(OC)c1Cl ZINC000873329663 662805667 /nfs/dbraw/zinc/80/56/67/662805667.db2.gz AVTDORDPUYKAPF-WPRPVWTQSA-N 1 0 381.782 2.958 20 0 GFADRO CCc1ccc(Br)c(NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000873831121 662815617 /nfs/dbraw/zinc/81/56/17/662815617.db2.gz SHWQFYFOMJQEGM-TZMCWYRMSA-N 1 0 396.329 2.891 20 0 GFADRO CCC1([NH+](C)C)CCN(C(=O)C(=O)Nc2cc(Cl)c(N)c(Cl)c2)CC1 ZINC000874036573 662821197 /nfs/dbraw/zinc/82/11/97/662821197.db2.gz JJXYXZQPIOQWRM-UHFFFAOYSA-N 1 0 387.311 2.847 20 0 GFADRO C[N@@H+]1CCC[C@H]2[C@H]1CCN2C(=O)c1ccc(I)c(F)c1 ZINC000874840347 662838159 /nfs/dbraw/zinc/83/81/59/662838159.db2.gz MRVJHTMRCOAFOW-KGLIPLIRSA-N 1 0 388.224 2.739 20 0 GFADRO COc1cc(/C=C\C(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3C)cc(Br)c1O ZINC000874847042 662838293 /nfs/dbraw/zinc/83/82/93/662838293.db2.gz LYGLUCMGZKIADP-JBZXTQMFSA-N 1 0 395.297 2.872 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)NCc1ncc(Br)s1)Cc1ccccc1 ZINC000875001723 662840582 /nfs/dbraw/zinc/84/05/82/662840582.db2.gz KIUTZRLHSJBBMU-CYBMUJFWSA-N 1 0 397.342 2.878 20 0 GFADRO C[C@H](NC(=O)N[C@H]1CC[N@H+](CC(C)(C)O)C1)c1ccc(Br)cc1 ZINC000875001398 662840616 /nfs/dbraw/zinc/84/06/16/662840616.db2.gz NSTDYDGVZSOASL-WFASDCNBSA-N 1 0 384.318 2.655 20 0 GFADRO CC[NH+]1CCC(NC(=O)N[C@](C)(CO)Cc2ccc(Br)cc2)CC1 ZINC000875005274 662840712 /nfs/dbraw/zinc/84/07/12/662840712.db2.gz MWMQMFDTSQXCCC-SFHVURJKSA-N 1 0 398.345 2.526 20 0 GFADRO Cc1cnc(NC(=O)[C@H]2CC[N@@H+](C)C[C@@H]2c2cnn(C)c2)c(Br)c1 ZINC000875493341 662846839 /nfs/dbraw/zinc/84/68/39/662846839.db2.gz DQCHKMJEHVOAFG-UONOGXRCSA-N 1 0 392.301 2.560 20 0 GFADRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)NCc1ncc(Br)s1 ZINC000876286394 662859023 /nfs/dbraw/zinc/85/90/23/662859023.db2.gz DFIRWAASPLPCHH-SNVBAGLBSA-N 1 0 375.336 2.777 20 0 GFADRO C[NH+](C)CCC1CCN(C(=O)NCc2ncc(Br)s2)CC1 ZINC000876286901 662859104 /nfs/dbraw/zinc/85/91/04/662859104.db2.gz ZWYLSYOTXGQWTE-UHFFFAOYSA-N 1 0 375.336 2.779 20 0 GFADRO CC(C)[NH+]1CCC(CCNC(=O)c2cc3ncc(Br)cn3n2)CC1 ZINC000876308975 662859587 /nfs/dbraw/zinc/85/95/87/662859587.db2.gz HJODNBJZPYBKAN-UHFFFAOYSA-N 1 0 394.317 2.732 20 0 GFADRO O=C(NCc1ccc(C(F)(F)F)s1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000876343502 662860118 /nfs/dbraw/zinc/86/01/18/662860118.db2.gz VTPUQDMHDLTVIT-GFCCVEGCSA-N 1 0 377.432 2.631 20 0 GFADRO [NH3+][C@H]1CC[C@H](C(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)CC1 ZINC000876554624 662862710 /nfs/dbraw/zinc/86/27/10/662862710.db2.gz QFTCEIFKZAKQCV-JOCQHMNTSA-N 1 0 385.917 2.581 20 0 GFADRO Cc1cc(NC(=O)[C@H](F)[C@H]2CC[NH2+]C2)n(-c2cccc(Br)c2)n1 ZINC000876600448 662863280 /nfs/dbraw/zinc/86/32/80/662863280.db2.gz RGHSSJRMFJGIKC-XHDPSFHLSA-N 1 0 381.249 2.829 20 0 GFADRO O=C(NCc1cc(Br)ccc1OC(F)F)[C@@H](F)[C@@H]1CC[NH2+]C1 ZINC000876636023 662863900 /nfs/dbraw/zinc/86/39/00/662863900.db2.gz AVGRRGVNBJRDIP-PELKAZGASA-N 1 0 381.192 2.614 20 0 GFADRO FC(F)(F)COCCC[NH+]1CCN(Cc2cccnc2Br)CC1 ZINC000876639075 662864015 /nfs/dbraw/zinc/86/40/15/662864015.db2.gz LFQYRTWAXZFUNI-UHFFFAOYSA-N 1 0 396.251 2.931 20 0 GFADRO C[C@@H](NC(=O)[C@@H](N)C[NH+](C)C)c1nc(-c2ccc(Br)cc2)cs1 ZINC000876694587 662864761 /nfs/dbraw/zinc/86/47/61/662864761.db2.gz SSGSRTLBINMSSZ-MFKMUULPSA-N 1 0 397.342 2.639 20 0 GFADRO [NH3+][C@H]1CC[C@H](C(=O)NC[C@H]2CCN(c3ccc(Br)cc3)C2)CC1 ZINC000876733439 662865518 /nfs/dbraw/zinc/86/55/18/662865518.db2.gz XXLULGVOUCFLNZ-IIAWOOMASA-N 1 0 380.330 2.909 20 0 GFADRO CC(C)C[N@@H+](Cc1ccc(S(N)(=O)=O)s1)C[C@H](O)c1ccc(F)cc1 ZINC000876745602 662865772 /nfs/dbraw/zinc/86/57/72/662865772.db2.gz NZDMZNMXMQDYMY-INIZCTEOSA-N 1 0 386.514 2.726 20 0 GFADRO O=C(/C=C/[C@@H]1CCC[NH2+]C1)N[C@@H]1CCN(c2ccccc2Br)C1 ZINC000876764891 662866001 /nfs/dbraw/zinc/86/60/01/662866001.db2.gz XHLXRXXQLGYKFR-MHKRFPNSSA-N 1 0 378.314 2.700 20 0 GFADRO C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)[C@@H](F)[C@H]2CC[NH2+]C2)CC1 ZINC000876772361 662866151 /nfs/dbraw/zinc/86/61/51/662866151.db2.gz BEPNBDDIAZRLHW-KMFMINBZSA-N 1 0 398.320 2.602 20 0 GFADRO COCCOC[C@@H]1CC[N@H+](Cc2ccc(C(=O)OC)c(Br)c2)C1 ZINC000876774615 662866184 /nfs/dbraw/zinc/86/61/84/662866184.db2.gz BDISZUMSNXVMCD-CQSZACIVSA-N 1 0 386.286 2.721 20 0 GFADRO NS(=O)(=O)c1ccc(C[N@@H+]2CCCCC[C@@H]2C[C@H](O)c2cccs2)o1 ZINC000876804443 662866661 /nfs/dbraw/zinc/86/66/61/662866661.db2.gz QJZBMUQSDYXLAT-HIFRSBDPSA-N 1 0 384.523 2.857 20 0 GFADRO COCCOc1ccc(Br)cc1NC(=O)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000876877597 662867597 /nfs/dbraw/zinc/86/75/97/662867597.db2.gz YDAPWFDRHVYAIS-WBVHZDCISA-N 1 0 383.286 2.945 20 0 GFADRO [NH3+][C@H]1CCO[C@@H](C2CCN(C(=O)C(=O)c3cc(Cl)cc(Cl)c3)CC2)C1 ZINC000876921247 662868139 /nfs/dbraw/zinc/86/81/39/662868139.db2.gz MYWYHHNLBMBIJT-JKSUJKDBSA-N 1 0 385.291 2.921 20 0 GFADRO CCn1ncc(C(=O)N2CC[C@H](c3ccc(F)cc3)[C@@H]([NH3+])C2)c1Br ZINC000876925695 662868190 /nfs/dbraw/zinc/86/81/90/662868190.db2.gz CLSQHEKZFKHAKG-HIFRSBDPSA-N 1 0 395.276 2.762 20 0 GFADRO CC[C@H](C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1)c1ccc(Br)cc1 ZINC000876933128 662868367 /nfs/dbraw/zinc/86/83/67/662868367.db2.gz GCBZGNNRLQJKOO-YESZJQIVSA-N 1 0 391.313 2.630 20 0 GFADRO CCOc1c(Cl)cc(C[NH2+]Cc2cccc(S(N)(=O)=O)c2)cc1OC ZINC000876948037 662868432 /nfs/dbraw/zinc/86/84/32/662868432.db2.gz DAKMCPRLUYROMU-UHFFFAOYSA-N 1 0 384.885 2.685 20 0 GFADRO COC(=O)c1sc2c(c1Br)CN(C(=O)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC000876980241 662869143 /nfs/dbraw/zinc/86/91/43/662869143.db2.gz BIXPBPKHZDVVFZ-KYZUINATSA-N 1 0 387.299 2.657 20 0 GFADRO CCO[P@](C)(=O)CC[C@H](C)[NH2+]CCNS(=O)(=O)c1cccc(Cl)c1 ZINC000876981258 662869145 /nfs/dbraw/zinc/86/91/45/662869145.db2.gz SKSWFYMSJVOGKX-NPMABZOXSA-N 1 0 396.877 2.931 20 0 GFADRO CCO[P@](C)(=O)CC[C@H](C)[NH2+][C@H](C)c1cccc(S(=O)(=O)NC)c1 ZINC000877003409 662869522 /nfs/dbraw/zinc/86/95/22/662869522.db2.gz TYIGOWWQMPMNHX-UDFDBXRZSA-N 1 0 376.459 2.968 20 0 GFADRO [NH3+]C1(CNC(=O)C2(c3cc(Cl)cc(Br)c3)CC2)CCOCC1 ZINC000877014785 662869670 /nfs/dbraw/zinc/86/96/70/662869670.db2.gz QIUIPKDSFSQDNS-UHFFFAOYSA-N 1 0 387.705 2.758 20 0 GFADRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)c1c(F)ccc(I)c1Cl ZINC000877023550 662869775 /nfs/dbraw/zinc/86/97/75/662869775.db2.gz WBEDOUZAJDDEPC-VHSXEESVSA-N 1 0 396.631 2.954 20 0 GFADRO Cn1ncc(C[NH3+])c1C(=O)N[C@@H]1CCCSc2ccc(Br)cc21 ZINC000877027542 662869835 /nfs/dbraw/zinc/86/98/35/662869835.db2.gz ONXNASGHJYMWKS-CYBMUJFWSA-N 1 0 395.326 2.998 20 0 GFADRO COC(=O)c1ccc(C[NH2+][C@H]2c3ccccc3C[C@H]2O)cc1Br ZINC000877093581 662870978 /nfs/dbraw/zinc/87/09/78/662870978.db2.gz JUWIUCMXMWTARI-SJORKVTESA-N 1 0 376.250 2.984 20 0 GFADRO CCO[P@](C)(=O)CC[C@H](C)[NH2+]C1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000877108529 662871092 /nfs/dbraw/zinc/87/10/92/662871092.db2.gz PJAAJQGKFMBUBH-RULNZOCKSA-N 1 0 394.396 2.613 20 0 GFADRO C[C@@H]([NH3+])CN(C)C(=O)c1cnn(-c2ncccc2Cl)c1C(F)(F)Cl ZINC000877102405 662871099 /nfs/dbraw/zinc/87/10/99/662871099.db2.gz HIDSZUGBZCPGFX-MRVPVSSYSA-N 1 0 378.210 2.628 20 0 GFADRO CCO[P@@](C)(=O)CC[C@@H](C)[NH2+]C1CCN(S(=O)(=O)CC(C)C)CC1 ZINC000877140960 662871706 /nfs/dbraw/zinc/87/17/06/662871706.db2.gz CGJCXQAAVLMGED-IQMFZBJNSA-N 1 0 382.507 2.749 20 0 GFADRO CN(C)c1ncc(Br)cc1C(=O)N1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000877257504 662872488 /nfs/dbraw/zinc/87/24/88/662872488.db2.gz CXQCNRZQLOIYFS-KRWDZBQOSA-N 1 0 383.334 2.747 20 0 GFADRO COCCC1(NC(=O)[C@@H]2[C@@H]3Cc4cc(Br)ccc4[C@@H]32)CC[NH2+]CC1 ZINC000877268656 662872910 /nfs/dbraw/zinc/87/29/10/662872910.db2.gz NTMTXPKNRVPKES-IXDOHACOSA-N 1 0 393.325 2.610 20 0 GFADRO O=C(c1ncc(Br)cc1Br)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000877277410 662873001 /nfs/dbraw/zinc/87/30/01/662873001.db2.gz MOJCHOQNXKWGPQ-GHMZBOCLSA-N 1 0 389.091 2.573 20 0 GFADRO CN(C)[C@H](C(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1)c1c(F)cccc1Cl ZINC000877359346 662874426 /nfs/dbraw/zinc/87/44/26/662874426.db2.gz GJEPOSYQOFNMFW-RBZYPMLTSA-N 1 0 381.801 2.677 20 0 GFADRO CN(C)c1nc2sc(C(=O)N3C[C@H](C(F)(F)F)[C@@H](C[NH3+])C3)cc2s1 ZINC000877362238 662874623 /nfs/dbraw/zinc/87/46/23/662874623.db2.gz ZFOQNKKBXHCVHG-YUMQZZPRSA-N 1 0 378.445 2.633 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)c2n[nH]c3ccc(Br)cc32)C[C@@H]1C(F)(F)F ZINC000877367166 662874830 /nfs/dbraw/zinc/87/48/30/662874830.db2.gz YYRUAMQEZKPZDA-XCBNKYQSSA-N 1 0 391.191 2.535 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)c2n[nH]c3ccc(Br)cc32)C[C@H]1C(F)(F)F ZINC000877367164 662874857 /nfs/dbraw/zinc/87/48/57/662874857.db2.gz YYRUAMQEZKPZDA-GMSGAONNSA-N 1 0 391.191 2.535 20 0 GFADRO COc1ccc(Br)c(C(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)c1 ZINC000877369412 662874898 /nfs/dbraw/zinc/87/48/98/662874898.db2.gz YYOZURVAHTWMMJ-KCJUWKMLSA-N 1 0 381.192 2.667 20 0 GFADRO O=C(N[C@@]12CCC[C@@H]1[NH2+]CC2)c1cnn(-c2cccc(Br)c2)c1 ZINC000877391959 662875289 /nfs/dbraw/zinc/87/52/89/662875289.db2.gz KNGJHFIBLBYMPV-DOTOQJQBSA-N 1 0 375.270 2.649 20 0 GFADRO COc1ccc(Br)cc1C(=O)CCC(=O)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000877400502 662875490 /nfs/dbraw/zinc/87/54/90/662875490.db2.gz VRNFQYWEZFNXLW-WMZOPIPTSA-N 1 0 395.297 2.821 20 0 GFADRO COC(=O)c1ccc(CNC2CC[NH+](CC(C)(C)O)CC2)c(Br)c1 ZINC000877526754 662878103 /nfs/dbraw/zinc/87/81/03/662878103.db2.gz DSBOMSQXIYHWHR-UHFFFAOYSA-N 1 0 399.329 2.561 20 0 GFADRO CCO[P@](C)(=O)CC[C@@H](C)[NH2+]C[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000877577200 662879336 /nfs/dbraw/zinc/87/93/36/662879336.db2.gz BUVAEQMCNOSJQJ-XESHVACXSA-N 1 0 378.450 2.935 20 0 GFADRO CCO[P@](C)(=O)CC[C@@H](C)[NH2+]C[C@H]1CS(=O)(=O)c2ccccc2O1 ZINC000877604935 662879745 /nfs/dbraw/zinc/87/97/45/662879745.db2.gz SEJKGVRWOAAFPE-XXAQJILISA-N 1 0 375.427 2.534 20 0 GFADRO CC(C)[C@@H]([NH2+]Cc1ccc(S(N)(=O)=O)cc1)[C@H](O)c1ccc(Cl)cc1 ZINC000877639711 662880606 /nfs/dbraw/zinc/88/06/06/662880606.db2.gz PGDLNIPFMYDVGB-QZTJIDSGSA-N 1 0 382.913 2.835 20 0 GFADRO CC(C)[C@@H]([NH2+]Cc1ccc(S(N)(=O)=O)cc1)[C@@H](O)c1ccc(Cl)cc1 ZINC000877639710 662880672 /nfs/dbraw/zinc/88/06/72/662880672.db2.gz PGDLNIPFMYDVGB-MSOLQXFVSA-N 1 0 382.913 2.835 20 0 GFADRO Cn1ncc(Br)c1C[NH2+]C[C@]12C[C@H]1CN(C(=O)OC(C)(C)C)C2 ZINC000877675259 662881470 /nfs/dbraw/zinc/88/14/70/662881470.db2.gz PQPFIHULYFQINR-ZBEGNZNMSA-N 1 0 385.306 2.529 20 0 GFADRO COC(=O)[C@@H]1OCC[C@@H]1C[NH2+]Cc1ccc(Br)c2cccnc12 ZINC000877727096 662882552 /nfs/dbraw/zinc/88/25/52/662882552.db2.gz QNAUGCWSZUQIHQ-MLGOLLRUSA-N 1 0 379.254 2.665 20 0 GFADRO NS(=O)(=O)c1cccc(C[NH2+][C@@H]2CCCO[C@H]2c2ccc(Cl)cc2)c1 ZINC000877758622 662882959 /nfs/dbraw/zinc/88/29/59/662882959.db2.gz CINGOPLSMMKCNT-MSOLQXFVSA-N 1 0 380.897 2.997 20 0 GFADRO C[N@H+](CCCS(=O)(=O)C(C)(C)C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000878164622 662891040 /nfs/dbraw/zinc/89/10/40/662891040.db2.gz KWNXACIEGISXOT-UHFFFAOYSA-N 1 0 376.563 2.921 20 0 GFADRO COC(=O)CCC[N@@H+](Cc1ccccc1)C[C@@H](O)c1cc(Br)no1 ZINC000878203060 662891518 /nfs/dbraw/zinc/89/15/18/662891518.db2.gz WXOAUXJQJDJQCQ-CQSZACIVSA-N 1 0 397.269 2.926 20 0 GFADRO COc1cc(C[N@H+](C[C@@H](O)c2cc(Br)no2)C2CC2)ccc1O ZINC000878314310 662893697 /nfs/dbraw/zinc/89/36/97/662893697.db2.gz SRLBRDMRSXHDBF-CYBMUJFWSA-N 1 0 383.242 2.849 20 0 GFADRO C[C@@H]1CN(C[C@H](O)c2ccc(Cl)c(Cl)c2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000878324868 662893846 /nfs/dbraw/zinc/89/38/46/662893846.db2.gz PMJHKYMZDBSTFR-CCKFTAQKSA-N 1 0 386.367 2.985 20 0 GFADRO CC[C@H]([NH2+]C[C@@H](O)c1cc(Br)no1)c1ccc2c(c1)OCCO2 ZINC000878356922 662894342 /nfs/dbraw/zinc/89/43/42/662894342.db2.gz YASMIKDYZBZHCL-NWDGAFQWSA-N 1 0 383.242 2.983 20 0 GFADRO C[C@@H]([NH2+]C[C@H](O)c1cc(Br)no1)c1cccc(N2CCOC2=O)c1 ZINC000878358834 662894462 /nfs/dbraw/zinc/89/44/62/662894462.db2.gz WLDASDAXADDNFC-MFKMUULPSA-N 1 0 396.241 2.778 20 0 GFADRO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CC[N@H+](CCCS(=O)(=O)C(C)(C)C)C1 ZINC000878384410 662894998 /nfs/dbraw/zinc/89/49/98/662894998.db2.gz LLPHRIFLTCNVND-HUUCEWRRSA-N 1 0 376.563 2.825 20 0 GFADRO O[C@@H](CN1CCC(c2ncc3n2CCCC3)CC1)c1cc(Br)no1 ZINC000878528255 662898139 /nfs/dbraw/zinc/89/81/39/662898139.db2.gz MCBOXERZBPQYIV-AWEZNQCLSA-N 1 0 395.301 2.883 20 0 GFADRO C[C@H](C[N@H+](C[C@@H](O)c1cc(Br)no1)[C@@H](C)CO)c1ccccc1 ZINC000878620565 662900598 /nfs/dbraw/zinc/90/05/98/662900598.db2.gz ZLOAFXVBZKNFPM-VNHYZAJKSA-N 1 0 383.286 2.957 20 0 GFADRO OC[C@@H]([NH2+]C[C@H]1CC2(CO1)CCOCC2)c1ccc(Br)c(F)c1 ZINC000878646228 662901672 /nfs/dbraw/zinc/90/16/72/662901672.db2.gz XKCCTPXJHIADAS-CZUORRHYSA-N 1 0 388.277 2.797 20 0 GFADRO CN1CC[NH+](C2CCN(C(=O)Nc3cc(Br)ccc3F)CC2)CC1 ZINC000878694283 662902684 /nfs/dbraw/zinc/90/26/84/662902684.db2.gz FCKRABWGKPMBIE-UHFFFAOYSA-N 1 0 399.308 2.832 20 0 GFADRO C[NH+]1CCC(NC(=O)CNC2(c3ccccc3Br)CCC2)CC1 ZINC000878799369 662905985 /nfs/dbraw/zinc/90/59/85/662905985.db2.gz IRXWRBFSPOMKJD-UHFFFAOYSA-N 1 0 380.330 2.628 20 0 GFADRO C[C@]12CC[N@H+](CCc3cnccn3)C[C@H]1C2(Br)Br ZINC000878887266 662908545 /nfs/dbraw/zinc/90/85/45/662908545.db2.gz JWYQDGMOSWZFAV-NEPJUHHUSA-N 1 0 375.108 2.847 20 0 GFADRO O=C(COC1CC1)NC1CC[NH+](CCOc2ccc(Br)cc2)CC1 ZINC000878892982 662908688 /nfs/dbraw/zinc/90/86/88/662908688.db2.gz ISISILUHQIEGEB-UHFFFAOYSA-N 1 0 397.313 2.588 20 0 GFADRO O[C@H](C[N@@H+]1CC[C@@H](c2ccc3cccnc3n2)C1)c1cc(Br)no1 ZINC000878905531 662909337 /nfs/dbraw/zinc/90/93/37/662909337.db2.gz UQDVMGJULVRRNX-TZMCWYRMSA-N 1 0 389.253 2.903 20 0 GFADRO C[C@H]1CN(C(=O)Nc2ccc(Br)nc2)CCN1c1cc[nH+]cc1 ZINC000878961403 662911395 /nfs/dbraw/zinc/91/13/95/662911395.db2.gz XAUOSGDJRLUZCN-LBPRGKRZSA-N 1 0 376.258 2.982 20 0 GFADRO CN(C[C@@H](O)C[N@H+](C)Cc1ccnc(Br)c1)C(=O)OC(C)(C)C ZINC000879081395 662915817 /nfs/dbraw/zinc/91/58/17/662915817.db2.gz XSLNTBIVCYCKOQ-ZDUSSCGKSA-N 1 0 388.306 2.504 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)Cc2c(Br)cnn2C)C[N@@H+]1Cc1ccccc1 ZINC000879141724 662918280 /nfs/dbraw/zinc/91/82/80/662918280.db2.gz ACONVXLGAQSQNA-HIFRSBDPSA-N 1 0 391.313 2.504 20 0 GFADRO COCCN(CC1CC[NH+](C)CC1)C(=O)Nc1ccc(C)c(Br)n1 ZINC000879510188 662928045 /nfs/dbraw/zinc/92/80/45/662928045.db2.gz ABVYXVDXUHBAMQ-UHFFFAOYSA-N 1 0 399.333 2.975 20 0 GFADRO O=C(C[N@@H+]1CC[C@H]2CSC[C@H]2C1)Nc1cc(Cl)ccc1-n1cncn1 ZINC000879560019 662929347 /nfs/dbraw/zinc/92/93/47/662929347.db2.gz DLMRYMLZMOWGGV-QWHCGFSZSA-N 1 0 377.901 2.544 20 0 GFADRO C[N@@H+]1CC[C@H]2CN(CCS(=O)(=O)c3cc(Cl)ccc3Cl)CC[C@@H]21 ZINC000879568069 662929637 /nfs/dbraw/zinc/92/96/37/662929637.db2.gz XULHUXZFMGUYLU-WFASDCNBSA-N 1 0 377.337 2.793 20 0 GFADRO Cn1nc(Br)cc1NC(=O)N(CCc1ccccc1)CC[NH+](C)C ZINC000879644989 662933421 /nfs/dbraw/zinc/93/34/21/662933421.db2.gz NWZCZUMQDPYKMC-UHFFFAOYSA-N 1 0 394.317 2.821 20 0 GFADRO COCC[N@H+](C[C@H](O)COc1ccc(Cl)c(Cl)c1)C1CCOCC1 ZINC000879706974 662937636 /nfs/dbraw/zinc/93/76/36/662937636.db2.gz XKWFWMYJGMQHBM-AWEZNQCLSA-N 1 0 378.296 2.861 20 0 GFADRO Cn1c(Cl)cnc1-c1csc(NC(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)n1 ZINC000880077403 662950519 /nfs/dbraw/zinc/95/05/19/662950519.db2.gz VJASTSPBLDKDTN-ZYHUDNBSSA-N 1 0 380.905 2.755 20 0 GFADRO O=C(c1cc(Br)ccc1C1CC1)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000880755361 662968433 /nfs/dbraw/zinc/96/84/33/662968433.db2.gz TYWCBFFKHNRBES-MRXNPFEDSA-N 1 0 393.325 2.998 20 0 GFADRO CC(=O)c1ccc(Br)c(NC(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)c1 ZINC000880805047 662972623 /nfs/dbraw/zinc/97/26/23/662972623.db2.gz BCHDKNOCNAFWOL-UONOGXRCSA-N 1 0 396.285 2.636 20 0 GFADRO Cc1ccc(Br)nc1C(=O)N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000881477776 662995552 /nfs/dbraw/zinc/99/55/52/662995552.db2.gz ZAJGGPYZWLBORJ-CQSZACIVSA-N 1 0 382.302 2.526 20 0 GFADRO Cc1ccc(Br)nc1C(=O)N1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000881632437 662998558 /nfs/dbraw/zinc/99/85/58/662998558.db2.gz NNLVQKQYAHQJCS-ZDUSSCGKSA-N 1 0 375.270 2.898 20 0 GFADRO O=c1c(Br)c(NC2CC[NH+](C3CC3)CC2)cnn1CC(F)(F)F ZINC000881786194 663003142 /nfs/dbraw/zinc/00/31/42/663003142.db2.gz PJDCMBRSTZGNBQ-UHFFFAOYSA-N 1 0 395.223 2.607 20 0 GFADRO CC(C)(C)[NH+]1CCC(NS(=O)(=O)N=[S@](C)(=O)C2CCCCC2)CC1 ZINC000881801567 663003876 /nfs/dbraw/zinc/00/38/76/663003876.db2.gz LDAHYQSZOSCLPU-HSZRJFAPSA-N 1 0 379.592 2.514 20 0 GFADRO C[C@H]1CCC[N@H+](CCNc2cnn(CC(F)(F)F)c(=O)c2Br)C1 ZINC000881809157 663004308 /nfs/dbraw/zinc/00/43/08/663004308.db2.gz RKWGSYNRRRTBIZ-JTQLQIEISA-N 1 0 397.239 2.712 20 0 GFADRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2S(=O)(=O)c2cnc(Cl)cc2C(F)(F)F)C1 ZINC000882001245 663012986 /nfs/dbraw/zinc/01/29/86/663012986.db2.gz NBLUSHVBTZWSOA-CMPLNLGQSA-N 1 0 397.850 2.859 20 0 GFADRO O=C(NCCC1(O)CC[NH+](Cc2ccccc2)CC1)c1scnc1Cl ZINC000882379383 663026285 /nfs/dbraw/zinc/02/62/85/663026285.db2.gz XEFDEQLXQZNWMF-UHFFFAOYSA-N 1 0 379.913 2.944 20 0 GFADRO CON([C@@H](C)c1cccc(C(F)(F)F)c1)S(=O)(=O)CCn1ccnc1 ZINC000882420868 663027273 /nfs/dbraw/zinc/02/72/73/663027273.db2.gz OGXVEJJMSLFSHL-LBPRGKRZSA-N 1 0 377.388 2.856 20 0 GFADRO COC[C@@H]([NH2+]Cc1cc(Br)c2c(c1)OCCO2)[C@@H]1CCCOC1 ZINC000883180653 663050875 /nfs/dbraw/zinc/05/08/75/663050875.db2.gz HOXMVSZIYHYOBB-UKRRQHHQSA-N 1 0 386.286 2.752 20 0 GFADRO COC[C@@H]([NH2+]CCc1cn2cc(Br)cc(C)c2n1)[C@H]1CCCOC1 ZINC000883216080 663051553 /nfs/dbraw/zinc/05/15/53/663051553.db2.gz KVYFKJUORIBUGM-WMLDXEAASA-N 1 0 396.329 2.979 20 0 GFADRO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+][C@H](COC)[C@@H]2CCCOC2)c1 ZINC000883227940 663051676 /nfs/dbraw/zinc/05/16/76/663051676.db2.gz BEVWVNXBRLXPHI-RHSMWYFYSA-N 1 0 375.918 2.665 20 0 GFADRO CS(=O)(=O)N1CCC([NH2+]CCc2cc(Cl)cc(Br)c2)CC1 ZINC000883274360 663052185 /nfs/dbraw/zinc/05/21/85/663052185.db2.gz HTQLMADMKMWEIU-UHFFFAOYSA-N 1 0 395.750 2.659 20 0 GFADRO O=S1(=O)CCC[C@H]1CC[NH2+]Cc1cc(Cl)ccc1OC[C@H]1CCCO1 ZINC000883299522 663053013 /nfs/dbraw/zinc/05/30/13/663053013.db2.gz WXRHUBFBRWJZFB-SJORKVTESA-N 1 0 387.929 2.955 20 0 GFADRO O=S1(=O)CCC[C@H]1CC[NH2+]Cc1cc(Cl)ccc1OC[C@@H]1CCCO1 ZINC000883299521 663053027 /nfs/dbraw/zinc/05/30/27/663053027.db2.gz WXRHUBFBRWJZFB-IRXDYDNUSA-N 1 0 387.929 2.955 20 0 GFADRO O=C(NCc1ccc(Br)cc1)N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000883347745 663053640 /nfs/dbraw/zinc/05/36/40/663053640.db2.gz YDVRKQSTRHSAFW-QGZVFWFLSA-N 1 0 396.329 2.892 20 0 GFADRO O=C1Nc2ccc(Br)cc2CC[C@@H]1N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000883377307 663054429 /nfs/dbraw/zinc/05/44/29/663054429.db2.gz DQCQBMFTMBGSSZ-ZOBUZTSGSA-N 1 0 378.314 2.919 20 0 GFADRO Cn1c(Cl)ncc1C[NH2+][C@@H]1CCc2cc(Br)ccc2NC1=O ZINC000883386845 663054478 /nfs/dbraw/zinc/05/44/78/663054478.db2.gz NPHQMEQAQCHVHM-CYBMUJFWSA-N 1 0 383.677 2.879 20 0 GFADRO [NH3+]Cc1nc2c(s1)CCN(S(=O)(=O)c1cccc(Cl)c1Cl)C2 ZINC000883481355 663055896 /nfs/dbraw/zinc/05/58/96/663055896.db2.gz IGXWCYWYUZOQBP-UHFFFAOYSA-N 1 0 378.306 2.656 20 0 GFADRO CCC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCc3sc(C[NH3+])nc3C2)c1 ZINC000883480741 663055911 /nfs/dbraw/zinc/05/59/11/663055911.db2.gz LOEJEZFUYKSKDY-UHFFFAOYSA-N 1 0 399.925 2.595 20 0 GFADRO [NH3+]Cc1nc2c(s1)CCN(C(=O)Nc1ncc(C3CCOCC3)s1)C2 ZINC000883567735 663057240 /nfs/dbraw/zinc/05/72/40/663057240.db2.gz IPJFZWBMLCUILP-UHFFFAOYSA-N 1 0 379.511 2.543 20 0 GFADRO O=C(NCCC[C@H]1CC1(Cl)Cl)N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000883764951 663060357 /nfs/dbraw/zinc/06/03/57/663060357.db2.gz MAYSJGYEVGOYLK-DZGCQCFKSA-N 1 0 378.344 2.903 20 0 GFADRO O=C(COCCc1ccc(Br)cc1)N(C1CC1)C1CC[NH2+]CC1 ZINC000884012576 663063781 /nfs/dbraw/zinc/06/37/81/663063781.db2.gz NXEKGQDUZKAQHH-UHFFFAOYSA-N 1 0 381.314 2.751 20 0 GFADRO C[NH+]1CCN(c2ccc(CNC(=O)NCc3cscc3Cl)cn2)CC1 ZINC000884045249 663064132 /nfs/dbraw/zinc/06/41/32/663064132.db2.gz NMQRERNNQIASOQ-UHFFFAOYSA-N 1 0 379.917 2.548 20 0 GFADRO CC(C)[C@@H]([NH3+])C(C)(C)C(=O)N(C)CC(=O)Nc1ccccc1Br ZINC000884054025 663064274 /nfs/dbraw/zinc/06/42/74/663064274.db2.gz OGJDMGHKFHTLFD-OAHLLOKOSA-N 1 0 384.318 2.856 20 0 GFADRO CCOC(=O)c1cc(NC(=O)[C@H]([NH3+])c2ccc(Br)cc2)cn1C ZINC000884168856 663066410 /nfs/dbraw/zinc/06/64/10/663066410.db2.gz PVHPHDDUTXKIQP-CQSZACIVSA-N 1 0 380.242 2.603 20 0 GFADRO [NH3+][C@H](C(=O)NC1CCN(CC(F)(F)F)CC1)c1ccc(Br)cc1 ZINC000884185119 663066708 /nfs/dbraw/zinc/06/67/08/663066708.db2.gz LNQPQKURSOPBIL-ZDUSSCGKSA-N 1 0 394.235 2.592 20 0 GFADRO O=C(COCCc1ccc(Br)cc1)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000884238413 663067444 /nfs/dbraw/zinc/06/74/44/663067444.db2.gz AKLFEEMZJAZMNE-SFHVURJKSA-N 1 0 395.341 2.999 20 0 GFADRO C[C@H]1[NH2+]CCN(C(=O)c2cc(Br)nn2-c2ncccc2Cl)[C@@H]1C ZINC000884271517 663067876 /nfs/dbraw/zinc/06/78/76/663067876.db2.gz GGBYLMHTUKUXEF-NXEZZACHSA-N 1 0 398.692 2.506 20 0 GFADRO O=C(Nc1ccc2c(c1F)CC[NH2+]C2)c1nn2c(c1Br)CCC2 ZINC000884282966 663068086 /nfs/dbraw/zinc/06/80/86/663068086.db2.gz VSQIRYWIFSQGBM-UHFFFAOYSA-N 1 0 379.233 2.629 20 0 GFADRO [NH3+][C@@H](C(=O)N1CC[C@H](OCc2ccccn2)C1)c1ccc(Br)cc1 ZINC000884328738 663069212 /nfs/dbraw/zinc/06/92/12/663069212.db2.gz WMMBMBLDCDBDLA-DLBZAZTESA-N 1 0 390.281 2.662 20 0 GFADRO CC1(C)[C@H]([NH3+])C[C@H]1NC(=O)CCc1nc(-c2cc(Br)cs2)no1 ZINC000884352566 663069422 /nfs/dbraw/zinc/06/94/22/663069422.db2.gz KSXHGUDAQHVKKI-GHMZBOCLSA-N 1 0 399.314 2.735 20 0 GFADRO O=S(=O)(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cccc(OC(F)(F)F)c1F ZINC000884956871 663079643 /nfs/dbraw/zinc/07/96/43/663079643.db2.gz HQDPITFPNSYCKV-GHMZBOCLSA-N 1 0 382.379 2.629 20 0 GFADRO Cc1c(Br)cccc1CS(=O)(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000884958790 663079743 /nfs/dbraw/zinc/07/97/43/663079743.db2.gz DQXMRAMYFZGESD-LSDHHAIUSA-N 1 0 387.343 2.804 20 0 GFADRO C[C@H]1CN(c2cc[nH+]cc2)CCN1S(=O)(=O)CC[C@@H]1CC1(Cl)Cl ZINC000885848097 663099140 /nfs/dbraw/zinc/09/91/40/663099140.db2.gz PBKFGRKDXAMMDH-QWHCGFSZSA-N 1 0 378.325 2.506 20 0 GFADRO C[C@@H](Oc1cccc(Br)c1)C(=O)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000885872434 663099734 /nfs/dbraw/zinc/09/97/34/663099734.db2.gz FYCOVWDGDYYKGI-CJNGLKHVSA-N 1 0 397.313 2.586 20 0 GFADRO COc1cc(C)c(Br)cc1C(=O)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000885886330 663100482 /nfs/dbraw/zinc/10/04/82/663100482.db2.gz VRXKCGQIZUTYMG-CQSZACIVSA-N 1 0 397.313 2.749 20 0 GFADRO Nc1c(Cl)c(F)cc(C(=O)NC[C@@H]2CC[N@@H+]2C2CCOCC2)c1Cl ZINC000885888592 663100522 /nfs/dbraw/zinc/10/05/22/663100522.db2.gz MLUXDJQPEHRULA-JTQLQIEISA-N 1 0 376.259 2.698 20 0 GFADRO O=C(NC[C@@H]1CC[N@@H+]1C1CCOCC1)c1ccc(Br)c(F)c1F ZINC000885890959 663100735 /nfs/dbraw/zinc/10/07/35/663100735.db2.gz MTIYAVRGTOHRKC-NSHDSACASA-N 1 0 389.240 2.710 20 0 GFADRO O=C(NC[C@@H]1CC[N@@H+]1C1CCOCC1)c1ncc(C(F)(F)F)cc1Cl ZINC000885895989 663100859 /nfs/dbraw/zinc/10/08/59/663100859.db2.gz RCLDILNUERHLIM-LBPRGKRZSA-N 1 0 377.794 2.737 20 0 GFADRO O=C(Nc1ccc(Br)cn1)[C@@H]1CCC[N@H+](C[C@H]2C[C@@]23CCOC3)C1 ZINC000886052681 663102856 /nfs/dbraw/zinc/10/28/56/663102856.db2.gz VYFNIKCMJITKCB-HBUWYVDXSA-N 1 0 394.313 2.921 20 0 GFADRO OC[C@@H](C[NH2+][C@@H]1CCOC2(CCOCC2)C1)Cc1cccc(Br)c1 ZINC000886091447 663103099 /nfs/dbraw/zinc/10/30/99/663103099.db2.gz ADAJLXJQTYMMNJ-SJLPKXTDSA-N 1 0 398.341 2.918 20 0 GFADRO CCOc1cc(C[NH2+][C@H](CO)C[C@@H]2CCCO2)cc(Br)c1OC ZINC000886232559 663105406 /nfs/dbraw/zinc/10/54/06/663105406.db2.gz YXUUTFHRJASHED-KBPBESRZSA-N 1 0 388.302 2.876 20 0 GFADRO CCOc1c(Br)cc(C[NH2+][C@H](CO)C[C@@H]2CCCO2)cc1OC ZINC000886231556 663105499 /nfs/dbraw/zinc/10/54/99/663105499.db2.gz GQSCTHMBHOSAOQ-KBPBESRZSA-N 1 0 388.302 2.876 20 0 GFADRO Cc1nn(-c2cccc(Br)c2)cc1C[NH2+][C@@H]1CC[C@@H](O)[C@@H](O)CC1 ZINC000886262661 663106517 /nfs/dbraw/zinc/10/65/17/663106517.db2.gz XFRWXNXPLUKTBK-XGWQRUHWSA-N 1 0 394.313 2.697 20 0 GFADRO O=S(=O)(NCC[NH2+][C@H]1CCc2cccnc21)c1cccc(Cl)c1Cl ZINC000886609085 663114664 /nfs/dbraw/zinc/11/46/64/663114664.db2.gz LYRWWQAOQBHWSN-ZDUSSCGKSA-N 1 0 386.304 2.944 20 0 GFADRO Cn1ccn2c(CC[NH2+][C@H]3CCc4cc(Cl)cc(Cl)c43)nnc2c1=O ZINC000886698231 663115780 /nfs/dbraw/zinc/11/57/80/663115780.db2.gz AQYWEFVWVJSWAL-ZDUSSCGKSA-N 1 0 378.263 2.554 20 0 GFADRO Cc1cc(Br)ccc1CS(=O)(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000886889264 663123860 /nfs/dbraw/zinc/12/38/60/663123860.db2.gz NOLAHIMALGDYFS-NNUKFRKNSA-N 1 0 375.332 2.694 20 0 GFADRO O=S(=O)(NC[C@@H]1C[NH2+]CCC1(F)F)c1ccc(Cl)c(F)c1Cl ZINC000886897619 663124062 /nfs/dbraw/zinc/12/40/62/663124062.db2.gz CGOXMNJKKAIDNN-ZETCQYMHSA-N 1 0 377.215 2.656 20 0 GFADRO COc1ccc(C(C)(C)C)cc1S(=O)(=O)NC[C@H]1C[NH2+]CCC1(F)F ZINC000886897590 663124066 /nfs/dbraw/zinc/12/40/66/663124066.db2.gz BKLOEMWFKNSSMK-CYBMUJFWSA-N 1 0 376.469 2.516 20 0 GFADRO COC[C@@H]([NH2+]Cc1cc2c(cc1Br)OCCO2)[C@H]1CCCOC1 ZINC000886903682 663124362 /nfs/dbraw/zinc/12/43/62/663124362.db2.gz FFILBIXWQVPQOB-SWLSCSKDSA-N 1 0 386.286 2.752 20 0 GFADRO Cc1c(Cl)cc(NC(=O)C(=O)NC[C@@H]2C[NH2+]CCC2(F)F)cc1Cl ZINC000887033601 663129557 /nfs/dbraw/zinc/12/95/57/663129557.db2.gz XYXLSVWXBQYSMU-VIFPVBQESA-N 1 0 380.222 2.601 20 0 GFADRO C[C@@H](CNC(=O)C1C[NH+](C2CCOCC2)C1)c1ccc(Br)cc1 ZINC000887407373 663145038 /nfs/dbraw/zinc/14/50/38/663145038.db2.gz ZYYBGQDWWKAEQO-ZDUSSCGKSA-N 1 0 381.314 2.780 20 0 GFADRO CC[C@@H](c1ccc(Br)cc1)n1cc(CN2CCC[C@@H]([NH3+])C2)nn1 ZINC000887447347 663147145 /nfs/dbraw/zinc/14/71/45/663147145.db2.gz ZUGPKBAXARLNDE-WBVHZDCISA-N 1 0 378.318 2.963 20 0 GFADRO Cc1nccc(NC(=O)N2CCN(c3cc[nH+]cc3)C[C@H]2C)c1Br ZINC000888008686 663174719 /nfs/dbraw/zinc/17/47/19/663174719.db2.gz GIRMJHBHVWGWNA-GFCCVEGCSA-N 1 0 390.285 2.712 20 0 GFADRO Cc1c(Br)cncc1NC(=O)C1CCC([NH+]2CCOCC2)CC1 ZINC000888902479 663224547 /nfs/dbraw/zinc/22/45/47/663224547.db2.gz STTDCIGDBVIBAV-UHFFFAOYSA-N 1 0 382.302 2.982 20 0 GFADRO CN1CCN(C(=O)c2cccc3c(Br)cccc23)CC[N@H+](C)CC1 ZINC000888978033 663227845 /nfs/dbraw/zinc/22/78/45/663227845.db2.gz USNAPVQNLYGRJD-UHFFFAOYSA-N 1 0 390.325 2.922 20 0 GFADRO Cn1c(C(=O)N2CCC23CC[NH+](C)CC3)cc2cc(Br)cnc21 ZINC000889218018 663237608 /nfs/dbraw/zinc/23/76/08/663237608.db2.gz KXNYSLGTVDPCGG-UHFFFAOYSA-N 1 0 377.286 2.646 20 0 GFADRO O=C(c1cc(Cl)ccc1Br)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000889775132 663266160 /nfs/dbraw/zinc/26/61/60/663266160.db2.gz LKJKFHHPORIYLX-LSDHHAIUSA-N 1 0 387.705 2.774 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)NCc2cc(Br)ccc2F)C[C@@H]1C(F)(F)F ZINC000891363546 663337438 /nfs/dbraw/zinc/33/74/38/663337438.db2.gz KORWPLZDPPIQOP-ONGXEEELSA-N 1 0 398.198 2.867 20 0 GFADRO COCCC1(NC(=O)NCCOc2cccc(Cl)c2Cl)CC[NH2+]CC1 ZINC000891421822 663339361 /nfs/dbraw/zinc/33/93/61/663339361.db2.gz RRRZJEDLZPOYOK-UHFFFAOYSA-N 1 0 390.311 2.830 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)NCc2sccc2Br)C[C@@H]1C(F)(F)F ZINC000891462655 663340214 /nfs/dbraw/zinc/34/02/14/663340214.db2.gz VXDOAVKJUHMJIV-YUMQZZPRSA-N 1 0 386.237 2.789 20 0 GFADRO [NH3+][C@H]1C[C@H](CNC(=O)NCc2cc(Br)ccc2OC(F)F)C1 ZINC000891474167 663340463 /nfs/dbraw/zinc/34/04/63/663340463.db2.gz RKUKPTAJQKYILY-JLIMDTESSA-N 1 0 378.217 2.587 20 0 GFADRO CCOC(=O)c1ncc(Br)c(NC[C@H](c2cccs2)[NH+](C)C)n1 ZINC000891489924 663341099 /nfs/dbraw/zinc/34/10/99/663341099.db2.gz OWHQDLPIDPVWSJ-LLVKDONJSA-N 1 0 399.314 2.614 20 0 GFADRO O=C(NCc1cc(Cl)ccc1OC(F)F)NC[C@H]1C[NH2+]CCC1(F)F ZINC000891624459 663345874 /nfs/dbraw/zinc/34/58/74/663345874.db2.gz QYXBLKFIJQCANU-SNVBAGLBSA-N 1 0 383.773 2.985 20 0 GFADRO C[C@@H](Cc1ccccc1Br)NC(=O)NC[C@H]1C[NH2+]CCC1(F)F ZINC000891675625 663346723 /nfs/dbraw/zinc/34/67/23/663346723.db2.gz AGMROOJIMFMSRK-WCQYABFASA-N 1 0 390.272 2.924 20 0 GFADRO CCCOC[C@H](Cc1cccc(Br)c1)NC(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000891813345 663351513 /nfs/dbraw/zinc/35/15/13/663351513.db2.gz YQOLYTXFAXLLSI-XIRDDKMYSA-N 1 0 398.345 2.823 20 0 GFADRO C[C@@H](CC[NH3+])NC(=O)N1CC2(CCOCC2)c2ccc(Br)cc21 ZINC000892055925 663360640 /nfs/dbraw/zinc/36/06/40/663360640.db2.gz MVEWPHAQQFEXJS-LBPRGKRZSA-N 1 0 382.302 2.764 20 0 GFADRO [NH3+]C[C@H]1CC[C@@H](NC(=O)NCc2ccn(-c3ccc(Br)cc3)n2)C1 ZINC000892175647 663364633 /nfs/dbraw/zinc/36/46/33/663364633.db2.gz MSTOPWIKHSFMFJ-GXTWGEPZSA-N 1 0 392.301 2.561 20 0 GFADRO COC[C@H](NC(=O)N[C@H]1CC12CC[NH2+]CC2)c1cccc(Br)c1 ZINC000892267344 663367994 /nfs/dbraw/zinc/36/79/94/663367994.db2.gz MKXXMTAIOTWAHL-GJZGRUSLSA-N 1 0 382.302 2.578 20 0 GFADRO C[C@]1(Br)C[C@@H]1CNc1ccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000892360419 663371309 /nfs/dbraw/zinc/37/13/09/663371309.db2.gz KTMNGMYORXUZRQ-DAYGRLMNSA-N 1 0 380.330 2.969 20 0 GFADRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)N[C@@H]3[C@H]4Cc5cc(Br)ccc5[C@@H]34)C[C@@H]21 ZINC000892428275 663373407 /nfs/dbraw/zinc/37/34/07/663373407.db2.gz WHLOBXHAIWTIEL-WUSXBBGOSA-N 1 0 390.325 2.856 20 0 GFADRO CC1(C)C[NH2+]CC[C@@H](NC(=O)N[C@H](CO)c2cccc(Br)c2)C1 ZINC000892495296 663375372 /nfs/dbraw/zinc/37/53/72/663375372.db2.gz OXPXQLRSJKDXSA-HUUCEWRRSA-N 1 0 384.318 2.560 20 0 GFADRO O=C1CCCN1Cc1cccc(C[NH2+]Cc2ncc(Br)cc2O)c1 ZINC000892558711 663377293 /nfs/dbraw/zinc/37/72/93/663377293.db2.gz CKRMYZKAXBYOQR-UHFFFAOYSA-N 1 0 390.281 2.962 20 0 GFADRO O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CCC(n2cc(Br)cn2)CC1 ZINC000892601851 663378544 /nfs/dbraw/zinc/37/85/44/663378544.db2.gz MYHPOWFZFATZIF-YOWGUQMCSA-N 1 0 396.333 2.523 20 0 GFADRO COc1ccc(CNC(=O)N2C[C@@H]3C[N@H+](C)C[C@]3(C)C2)cc1Br ZINC000892651089 663379896 /nfs/dbraw/zinc/37/98/96/663379896.db2.gz RQKOKCJHOYFCHR-SUMWQHHRSA-N 1 0 382.302 2.551 20 0 GFADRO Nc1cc[nH+]c(CNC(=O)NCC2(c3ccc(Br)cc3)CC2)c1 ZINC000892699632 663382273 /nfs/dbraw/zinc/38/22/73/663382273.db2.gz UPNLMOQJXYXBPT-UHFFFAOYSA-N 1 0 375.270 2.957 20 0 GFADRO CCC[N@H+](C)C[C@@H]1CCN(c2nc(C(=O)OCC)ncc2Br)C1 ZINC000892723118 663383237 /nfs/dbraw/zinc/38/32/37/663383237.db2.gz ZUCKTMAMEAQNTB-LBPRGKRZSA-N 1 0 385.306 2.584 20 0 GFADRO C[C@]1(NC(=O)c2c(F)cccc2I)C[NH+]2CCC1CC2 ZINC000892780877 663384355 /nfs/dbraw/zinc/38/43/55/663384355.db2.gz VUFVJLWCLSJRTI-HNNXBMFYSA-N 1 0 388.224 2.644 20 0 GFADRO C[C@@]1(NC(=O)c2cc(=O)[nH]c3c(Br)cccc23)C[NH+]2CCC1CC2 ZINC000892780421 663384425 /nfs/dbraw/zinc/38/44/25/663384425.db2.gz SFXYLBDOAPDIPA-GOSISDBHSA-N 1 0 390.281 2.917 20 0 GFADRO CN(Cc1ccccc1Br)C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000892784325 663384686 /nfs/dbraw/zinc/38/46/86/663384686.db2.gz HPTYAXZKNBONDC-OAHLLOKOSA-N 1 0 396.329 2.749 20 0 GFADRO CC(=O)Nc1cc(Br)ccc1CNc1cnn(CC[NH+](C)C)c1 ZINC000892871853 663387637 /nfs/dbraw/zinc/38/76/37/663387637.db2.gz YDCANZDEMLGGJX-UHFFFAOYSA-N 1 0 380.290 2.778 20 0 GFADRO CCC1([NH3+])CCN(C(=O)N(CCO)Cc2cc(Br)cs2)CC1 ZINC000892932341 663390304 /nfs/dbraw/zinc/39/03/04/663390304.db2.gz GOZLBKFRFVYVEU-UHFFFAOYSA-N 1 0 390.347 2.628 20 0 GFADRO O=C(NCCc1sccc1Br)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000892940159 663390546 /nfs/dbraw/zinc/39/05/46/663390546.db2.gz SBZAAUBCFVNUCR-VIFPVBQESA-N 1 0 382.274 2.597 20 0 GFADRO Cc1[nH+]ccc(N2CCC(Oc3ccnc(C(N)=O)c3)CC2)c1Br ZINC000893092794 663396450 /nfs/dbraw/zinc/39/64/50/663396450.db2.gz RLIVSMXNLRZFQS-UHFFFAOYSA-N 1 0 391.269 2.694 20 0 GFADRO COCCOC[C@@H](C)[NH2+][C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000893140220 663398497 /nfs/dbraw/zinc/39/84/97/663398497.db2.gz SIZSYFMSHDONJF-YPMHNXCESA-N 1 0 381.826 2.974 20 0 GFADRO Cc1nc(CC(F)(F)F)sc1CC(=O)OCCC[N@@H+]1CCO[C@@H](C)C1 ZINC000893385590 663409244 /nfs/dbraw/zinc/40/92/44/663409244.db2.gz FIHPHOMTFYYKPP-NSHDSACASA-N 1 0 380.432 2.753 20 0 GFADRO Cn1nc2c(c1C[NH2+]C(C)(C)[C@H](O)c1ccc(Br)cc1)COCC2 ZINC000893600726 663416757 /nfs/dbraw/zinc/41/67/57/663416757.db2.gz FVULHHCLUPUCJA-QGZVFWFLSA-N 1 0 394.313 2.857 20 0 GFADRO O=S1(=O)CCCN1c1ccc(CNCc2csc(C(F)(F)F)n2)cc1 ZINC000893610597 663417193 /nfs/dbraw/zinc/41/71/93/663417193.db2.gz AIFAUCACBUMKEM-UHFFFAOYSA-N 1 0 391.440 2.992 20 0 GFADRO CC[N@@H+]1CC[C@@H]1CNC(=O)C1(c2ccc(Br)cc2)CCOCC1 ZINC000893871643 663429138 /nfs/dbraw/zinc/42/91/38/663429138.db2.gz HBNKLVQNQOKPDY-MRXNPFEDSA-N 1 0 381.314 2.708 20 0 GFADRO Cn1nc(Br)nc1CN1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000893916366 663431467 /nfs/dbraw/zinc/43/14/67/663431467.db2.gz HZCKNBPKHRVTAF-UHFFFAOYSA-N 1 0 398.736 2.939 20 0 GFADRO COc1cc(Br)ccc1[C@H](C)[NH2+][C@H](C)[C@H]1CCS(=O)(=O)C1 ZINC000893945424 663433037 /nfs/dbraw/zinc/43/30/37/663433037.db2.gz IOVWREHGKYZGDH-WOPDTQHZSA-N 1 0 376.316 2.932 20 0 GFADRO C[C@H]1[C@@H]([NH+](C)C)CCN1c1ncnc2c1c(Br)nn2C(C)(C)C ZINC000893979282 663435101 /nfs/dbraw/zinc/43/51/01/663435101.db2.gz ACZULJWDJCSXCJ-QWRGUYRKSA-N 1 0 381.322 2.873 20 0 GFADRO C[N@H+](CC1CC1)C[C@@H]1CCN(Cc2sc(N3CCOCC3)nc2Cl)C1 ZINC000894086399 663441545 /nfs/dbraw/zinc/44/15/45/663441545.db2.gz FKGBBEIGNOVPCR-HNNXBMFYSA-N 1 0 384.977 2.797 20 0 GFADRO CC[NH+](CC)CCOc1ccc(NCc2nc(Br)nn2C)cc1 ZINC000894115467 663443282 /nfs/dbraw/zinc/44/32/82/663443282.db2.gz QNEDHVBHPLIXQE-UHFFFAOYSA-N 1 0 382.306 2.910 20 0 GFADRO C[C@@H]1CC[N@H+](CCOc2ccc(NCc3nc(Br)nn3C)cc2)C1 ZINC000894115964 663443610 /nfs/dbraw/zinc/44/36/10/663443610.db2.gz LIXIMFFKABNLQH-CYBMUJFWSA-N 1 0 394.317 2.910 20 0 GFADRO Cn1nc(Br)nc1CNc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000894121927 663444025 /nfs/dbraw/zinc/44/40/25/663444025.db2.gz IALGSTGOMJAUOO-UHFFFAOYSA-N 1 0 396.358 2.781 20 0 GFADRO F[C@H]1CC2(CC[C@@H]1[NH2+]CCCCn1cc(Br)cn1)OCCO2 ZINC000894135644 663444868 /nfs/dbraw/zinc/44/48/68/663444868.db2.gz YKKKCTRCWBBBBC-KBPBESRZSA-N 1 0 376.270 2.649 20 0 GFADRO CC[NH+](CC)[C@@H](CNCc1nc(Br)nn1C)c1cccc(OC)c1 ZINC000894157005 663446142 /nfs/dbraw/zinc/44/61/42/663446142.db2.gz QRBUWEFSYLURGL-HNNXBMFYSA-N 1 0 396.333 2.759 20 0 GFADRO COc1ccccc1C1(C[NH2+]Cc2cn(C)nc2I)CC1 ZINC000894210725 663448655 /nfs/dbraw/zinc/44/86/55/663448655.db2.gz GBXWDWPYOBUCAW-UHFFFAOYSA-N 1 0 397.260 2.855 20 0 GFADRO COc1ccc(CC[NH2+]Cc2c(I)cnn2C)cc1F ZINC000894226207 663449757 /nfs/dbraw/zinc/44/97/57/663449757.db2.gz OENMAGIZVZIPJJ-UHFFFAOYSA-N 1 0 389.212 2.505 20 0 GFADRO C[C@@H]([NH2+]Cc1sc(N2CCOCC2)nc1Cl)[C@@H](O)c1ccc(F)cc1 ZINC000894259590 663451272 /nfs/dbraw/zinc/45/12/72/663451272.db2.gz XVBPYVNFFJJMNT-IAQYHMDHSA-N 1 0 385.892 2.984 20 0 GFADRO C[C@H](C[NH2+]Cc1cn(C)nc1I)Oc1ccccc1F ZINC000894311636 663453708 /nfs/dbraw/zinc/45/37/08/663453708.db2.gz XFUXVSZRRQGITM-SNVBAGLBSA-N 1 0 389.212 2.721 20 0 GFADRO CCc1[nH]c(C[NH2+][C@H](CO)c2cccc(Br)c2)cc1C(=O)OC ZINC000894329879 663455128 /nfs/dbraw/zinc/45/51/28/663455128.db2.gz LLXCBDPEMSMSTD-MRXNPFEDSA-N 1 0 381.270 2.949 20 0 GFADRO C[C@H](NCc1cn(C)nc1I)[C@H](c1ccccc1)[NH+](C)C ZINC000894480050 663464181 /nfs/dbraw/zinc/46/41/81/663464181.db2.gz MSWBSSRBAWCRIE-SWLSCSKDSA-N 1 0 398.292 2.806 20 0 GFADRO C[C@@H](C[NH2+]Cc1sc(N2CCOCC2)nc1Cl)NC(=O)OC(C)(C)C ZINC000894600809 663470992 /nfs/dbraw/zinc/47/09/92/663470992.db2.gz NIRGINPPGRGQOE-NSHDSACASA-N 1 0 390.937 2.636 20 0 GFADRO C[C@@H]1C[C@@H](CC[NH2+]Cc2cn(C)nc2I)C[C@H](C)O1 ZINC000894684737 663476292 /nfs/dbraw/zinc/47/62/92/663476292.db2.gz PJXYFGPGWWOQFQ-ZSBIGDGJSA-N 1 0 377.270 2.708 20 0 GFADRO Cn1nc(Br)nc1CN1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000894747760 663479120 /nfs/dbraw/zinc/47/91/20/663479120.db2.gz NKLGKRQGCLLOHG-GOSISDBHSA-N 1 0 390.329 2.676 20 0 GFADRO CCn1cc(C[NH2+]C[C@H](CO)Cc2ccc(OC)c(Br)c2)c(C)n1 ZINC000894751392 663479596 /nfs/dbraw/zinc/47/95/96/663479596.db2.gz UFQVMTUPZODCBK-OAHLLOKOSA-N 1 0 396.329 2.923 20 0 GFADRO COc1nccc(CNc2cc(N3CCOCC3)c(Br)c[nH+]2)c1F ZINC000894787294 663481694 /nfs/dbraw/zinc/48/16/94/663481694.db2.gz GDLFKEWKUHRXJA-UHFFFAOYSA-N 1 0 397.248 2.836 20 0 GFADRO COc1cccc(C2(C[NH2+]Cc3cn(C)nc3I)CC2)c1 ZINC000894788837 663481722 /nfs/dbraw/zinc/48/17/22/663481722.db2.gz BLUKGAOPJLERGO-UHFFFAOYSA-N 1 0 397.260 2.855 20 0 GFADRO CCOC(=O)c1ncc(C[NH2+]C[C@H](O)c2ccccc2Br)s1 ZINC000894796826 663482047 /nfs/dbraw/zinc/48/20/47/663482047.db2.gz FDYTWZHKLFFXAW-ZDUSSCGKSA-N 1 0 385.283 2.906 20 0 GFADRO Cc1[nH+]c2cc(NCc3ncc(Br)s3)ccc2n1C(CO)CO ZINC000894920990 663488497 /nfs/dbraw/zinc/48/84/97/663488497.db2.gz FVHJTSIBAJCJOZ-UHFFFAOYSA-N 1 0 397.298 2.702 20 0 GFADRO Cc1[nH+]c2cc(NCc3ccc(Br)cn3)ccc2n1C(CO)CO ZINC000894926472 663488917 /nfs/dbraw/zinc/48/89/17/663488917.db2.gz QXQRBCVACZMKAK-UHFFFAOYSA-N 1 0 391.269 2.640 20 0 GFADRO C[C@@H](Nc1ncc(Br)cc1C(F)(F)F)[C@@H]1C[N@H+](C)CCN1C ZINC000895249609 663505237 /nfs/dbraw/zinc/50/52/37/663505237.db2.gz SOYQNHAFIVDSBF-SKDRFNHKSA-N 1 0 381.240 2.909 20 0 GFADRO C[C@@H]([NH2+]Cc1cnc(Br)cn1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000895407627 663512159 /nfs/dbraw/zinc/51/21/59/663512159.db2.gz GIDXZCKPGVJMPF-PBHICJAKSA-N 1 0 391.313 2.618 20 0 GFADRO CC(C)(C)OC(=O)N[C@H](CC(F)F)C[N@@H+]1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000895444238 663514470 /nfs/dbraw/zinc/51/44/70/663514470.db2.gz LLKCPTUAORYPLR-HBNTYKKESA-N 1 0 376.366 2.638 20 0 GFADRO Clc1nc(N2CCOCC2)sc1C[NH2+]Cc1cccc2c1CCOC2 ZINC000895447095 663514818 /nfs/dbraw/zinc/51/48/18/663514818.db2.gz KLOVXSPEVFWJEQ-UHFFFAOYSA-N 1 0 379.913 2.996 20 0 GFADRO CC[C@H]([NH2+]Cc1c(I)cnn1C)[C@H](O)c1ccccc1 ZINC000895477207 663516574 /nfs/dbraw/zinc/51/65/74/663516574.db2.gz RZUNTGJHUIDSCV-DZGCQCFKSA-N 1 0 385.249 2.627 20 0 GFADRO NC(=O)C1([NH+]2CCCCC2)CCN(Cc2ccsc2Br)CC1 ZINC000895552869 663518667 /nfs/dbraw/zinc/51/86/67/663518667.db2.gz SUKMTQUTLBWZMY-UHFFFAOYSA-N 1 0 386.359 2.816 20 0 GFADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[N@@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000895779952 663527299 /nfs/dbraw/zinc/52/72/99/663527299.db2.gz WWVDQTSNJFTRKD-BNOWGMLFSA-N 1 0 399.354 2.757 20 0 GFADRO CCC1([NH+]2CCC2)CCN(Cc2cnn3cc(Br)cnc23)CC1 ZINC000895821636 663528937 /nfs/dbraw/zinc/52/89/37/663528937.db2.gz GOWZMTJCMKKHHM-UHFFFAOYSA-N 1 0 378.318 2.942 20 0 GFADRO CNC(=O)C1([NH2+]Cc2cc(Br)cc(C(F)(F)F)c2)CCOCC1 ZINC000895885193 663532128 /nfs/dbraw/zinc/53/21/28/663532128.db2.gz UMRFWNAVYLWMEG-UHFFFAOYSA-N 1 0 395.219 2.853 20 0 GFADRO C[NH+](C)CC[C@H](Nc1ccc2c(c1)S(=O)(=O)N=C2Cl)c1cccnc1 ZINC000895891886 663532340 /nfs/dbraw/zinc/53/23/40/663532340.db2.gz UFVCCGATDIAGOS-HNNXBMFYSA-N 1 0 378.885 2.874 20 0 GFADRO C[NH+]1CCC2(CCN2C(=O)N[C@@H]2[C@H]3Cc4ccc(Br)cc4[C@@H]23)CC1 ZINC000896257677 663547520 /nfs/dbraw/zinc/54/75/20/663547520.db2.gz RNHJOZKLGORSEV-GVDBMIGSSA-N 1 0 390.325 2.967 20 0 GFADRO CCO[P@@](C)(=O)CC[C@H](C)[NH2+]Cc1ccc(CS(=O)(=O)N(C)C)cc1 ZINC000896276409 663548530 /nfs/dbraw/zinc/54/85/30/663548530.db2.gz LPYSVMSARWBWBL-IZHWHUGBSA-N 1 0 390.486 2.891 20 0 GFADRO C[C@H](NC(=O)c1cc(F)c(Br)cc1Cl)[C@H]1C[N@H+](C)CCN1C ZINC000896541874 663562723 /nfs/dbraw/zinc/56/27/23/663562723.db2.gz JBLREPYFBAHHAH-LKFCYVNXSA-N 1 0 392.700 2.606 20 0 GFADRO Cc1cc(Br)cc2cc(C(=O)N[C@@H](C)[C@H]3C[N@H+](C)CCN3C)oc21 ZINC000896548574 663563147 /nfs/dbraw/zinc/56/31/47/663563147.db2.gz KHRSHJRZCMILTH-SWLSCSKDSA-N 1 0 394.313 2.868 20 0 GFADRO C[C@@H](NC(=O)c1cc(Cl)cc(Br)c1F)[C@H]1C[N@H+](C)CCN1C ZINC000896546870 663563177 /nfs/dbraw/zinc/56/31/77/663563177.db2.gz ZJMONRWRZNSGHM-NOZJJQNGSA-N 1 0 392.700 2.606 20 0 GFADRO C[C@@H](NC(=O)CCCOc1cccc(Cl)c1Cl)[C@H]1C[N@H+](C)CCN1C ZINC000896567620 663564971 /nfs/dbraw/zinc/56/49/71/663564971.db2.gz HCARJECDTOFLFY-UKRRQHHQSA-N 1 0 388.339 2.903 20 0 GFADRO CC(C)Oc1cc(Br)ccc1C(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCN1C ZINC000896567890 663564980 /nfs/dbraw/zinc/56/49/80/663564980.db2.gz JIDBTPUERUIGLK-BBRMVZONSA-N 1 0 398.345 2.600 20 0 GFADRO C[C@H](NC(=O)CCCCc1ccc(Br)cc1)[C@H]1C[N@H+](C)CCN1C ZINC000896573484 663565306 /nfs/dbraw/zinc/56/53/06/663565306.db2.gz XOLPQSUKIOWEGC-MAUKXSAKSA-N 1 0 396.373 2.912 20 0 GFADRO C[NH+]1CCC2(CCN2C(=O)COCCc2ccc(Br)cc2)CC1 ZINC000896653136 663570018 /nfs/dbraw/zinc/57/00/18/663570018.db2.gz OQQJKGUQOXPVTM-UHFFFAOYSA-N 1 0 381.314 2.705 20 0 GFADRO C[C@H](C[NH+]1CCC2(CC1)C[C@H](O)CNC2=O)c1cccc(Br)c1 ZINC000897044368 663588000 /nfs/dbraw/zinc/58/80/00/663588000.db2.gz YRBNJJBMWFVVFM-CJNGLKHVSA-N 1 0 381.314 2.516 20 0 GFADRO OCC[N@@H+]1CCC[C@H]2[C@H]1CCN2c1ncnc2cc(F)c(Br)cc21 ZINC000897221333 663595422 /nfs/dbraw/zinc/59/54/22/663595422.db2.gz LOMIJPNIBZOSMK-CVEARBPZSA-N 1 0 395.276 2.567 20 0 GFADRO COc1cc(Br)c(CNC[C@H]2CC[N@@H+]2C2CCOCC2)cc1O ZINC000897228562 663596049 /nfs/dbraw/zinc/59/60/49/663596049.db2.gz NNSHUXVCVUCSKV-CQSZACIVSA-N 1 0 385.302 2.506 20 0 GFADRO CC(C)n1cc(Br)c(C(=O)Nc2ccnc(OCC[NH+](C)C)c2)n1 ZINC000897319703 663600605 /nfs/dbraw/zinc/60/06/05/663600605.db2.gz VWOAHDAFTHLDPN-UHFFFAOYSA-N 1 0 396.289 2.814 20 0 GFADRO CS[C@@H]1CN(C(=O)c2csc(N3CCCCC3)n2)C[C@H]1[NH+]1CCCC1 ZINC000897376834 663603559 /nfs/dbraw/zinc/60/35/59/663603559.db2.gz GVOZHTLWMMZIRR-HZPDHXFCSA-N 1 0 380.583 2.785 20 0 GFADRO CN(C[C@@H](O)c1ccccc1Br)C(=O)NC[C@@H]1CCCC[N@H+](C)C1 ZINC000897557540 663610516 /nfs/dbraw/zinc/61/05/16/663610516.db2.gz NZSYUGFWOPMLJD-WMLDXEAASA-N 1 0 398.345 2.856 20 0 GFADRO CCO[P@](C)(=O)CC[C@@H](C)[NH2+]C[C@]1(O)CCN(C(=O)OC(C)(C)C)C1 ZINC000897695685 663616170 /nfs/dbraw/zinc/61/61/70/663616170.db2.gz OUJSWZRIQYSQEQ-DZSJAMLCSA-N 1 0 378.450 2.671 20 0 GFADRO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)c1nn2c(c1Br)CCC2 ZINC000897877797 663623488 /nfs/dbraw/zinc/62/34/88/663623488.db2.gz UTQCPZKXLMJDNJ-ZDUSSCGKSA-N 1 0 383.334 2.832 20 0 GFADRO COC(=O)C[C@@H]([NH2+]Cc1sc(N2CCOCC2)nc1Cl)C(C)(C)C ZINC000897886385 663623854 /nfs/dbraw/zinc/62/38/54/663623854.db2.gz AUWBGKJJNULLQP-GFCCVEGCSA-N 1 0 375.922 2.701 20 0 GFADRO Cn1cc([C@@]2(C[NH2+]Cc3cn4ccc(Br)cc4n3)CCCO2)cn1 ZINC000898054416 663631512 /nfs/dbraw/zinc/63/15/12/663631512.db2.gz XFTQHBHIYOFQJJ-KRWDZBQOSA-N 1 0 390.285 2.626 20 0 GFADRO COc1cc(Br)c(C[NH2+]C[C@@]2(c3cnn(C)c3)CCCO2)cc1O ZINC000898055980 663631572 /nfs/dbraw/zinc/63/15/72/663631572.db2.gz APGBUFSYUIJSHE-QGZVFWFLSA-N 1 0 396.285 2.692 20 0 GFADRO C[NH+](C)C1CCC(NC(=O)C(=O)NCCc2ccc(Cl)c(Cl)c2)CC1 ZINC000898093832 663632913 /nfs/dbraw/zinc/63/29/13/663632913.db2.gz VMYYJQDPTMYYEF-UHFFFAOYSA-N 1 0 386.323 2.641 20 0 GFADRO CN(CCCC[NH+]1CCCCC1)C(=O)C(=O)NCC[C@]1(C)C[C@@]1(F)Cl ZINC000898102377 663633156 /nfs/dbraw/zinc/63/31/56/663633156.db2.gz QNEZYHGZRCPQAY-MSOLQXFVSA-N 1 0 375.916 2.532 20 0 GFADRO O=C(c1csc(-c2cccs2)n1)N1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000898123555 663634883 /nfs/dbraw/zinc/63/48/83/663634883.db2.gz ZLZOUNBWRUKSTN-UHFFFAOYSA-N 1 0 377.535 2.838 20 0 GFADRO O=c1cc(N2CC[C@H]([NH2+][C@@H]3CCc4c3cccc4Br)C2)nc[nH]1 ZINC000898152349 663635830 /nfs/dbraw/zinc/63/58/30/663635830.db2.gz GLVFPSJYORYSHJ-XHDPSFHLSA-N 1 0 375.270 2.801 20 0 GFADRO CC[C@@H](Cc1ccc(Br)cc1)[NH2+]CCCn1ccc(=O)[nH]c1=O ZINC000898325749 663643702 /nfs/dbraw/zinc/64/37/02/663643702.db2.gz JUBKOKCUUZNCSC-HNNXBMFYSA-N 1 0 380.286 2.712 20 0 GFADRO CC[NH+](CC)CC1CCN(C(=O)NCc2ncc(Br)cn2)CC1 ZINC000898398454 663648047 /nfs/dbraw/zinc/64/80/47/663648047.db2.gz FVBCZBCFGFNRPD-UHFFFAOYSA-N 1 0 384.322 2.503 20 0 GFADRO CC1(C)CC[N@H+](CCNC(=O)N2CCC[C@H]2c2ncc(Br)cn2)C1 ZINC000898587056 663657306 /nfs/dbraw/zinc/65/73/06/663657306.db2.gz VBPYAGGXAOHADA-AWEZNQCLSA-N 1 0 396.333 2.818 20 0 GFADRO COC(=O)c1c[nH]c(C[NH2+][C@@H]2CCc3ncc(Br)n3C2)c1C1CC1 ZINC000898722298 663660790 /nfs/dbraw/zinc/66/07/90/663660790.db2.gz ZSCCHZOTJJEZJK-LLVKDONJSA-N 1 0 393.285 2.742 20 0 GFADRO C[C@H](CC(=O)N1CCCCCC1)[NH2+][C@H]1CCc2ncc(Br)n2C1 ZINC000898724550 663661296 /nfs/dbraw/zinc/66/12/96/663661296.db2.gz NKHUHOOYDWZEIX-KGLIPLIRSA-N 1 0 383.334 2.731 20 0 GFADRO FC(F)(F)CN1CCC([NH2+][C@@H]2CCc3ncc(Br)n3C2)CC1 ZINC000898726056 663661488 /nfs/dbraw/zinc/66/14/88/663661488.db2.gz WSHXTJCCGYAQHP-LLVKDONJSA-N 1 0 381.240 2.577 20 0 GFADRO COc1ccc(C[NH2+][C@@H]2CCc3ncc(Br)n3C2)c(OC)c1OC ZINC000898726592 663661569 /nfs/dbraw/zinc/66/15/69/663661569.db2.gz JLUCMYIFRIFRAH-GFCCVEGCSA-N 1 0 396.285 2.776 20 0 GFADRO COc1cc(OC)c(OC)cc1C[NH2+][C@H]1CCc2ncc(Br)n2C1 ZINC000898726427 663661603 /nfs/dbraw/zinc/66/16/03/663661603.db2.gz IRZLOMSSRVUBAN-LBPRGKRZSA-N 1 0 396.285 2.776 20 0 GFADRO COc1cc(C[NH2+][C@@H]2CCc3ncc(Br)n3C2)cc(OC)c1OC ZINC000898727421 663661917 /nfs/dbraw/zinc/66/19/17/663661917.db2.gz WQUXWNCHMKGFIL-GFCCVEGCSA-N 1 0 396.285 2.776 20 0 GFADRO C[NH+](C)[C@H]1C[C@H](NC(=O)C2(c3cncc(Br)c3)CC2)C12CCC2 ZINC000898833132 663665695 /nfs/dbraw/zinc/66/56/95/663665695.db2.gz ZXDXUEXPXUPXMS-GJZGRUSLSA-N 1 0 378.314 2.865 20 0 GFADRO C[NH+]1CCC2(CCN(C(=O)c3nn4c(c3Br)CCC4)CC2)CC1 ZINC000899164225 663678289 /nfs/dbraw/zinc/67/82/89/663678289.db2.gz XRBWQGDLKWKTJL-UHFFFAOYSA-N 1 0 381.318 2.540 20 0 GFADRO CC(C)n1cc(Br)c(C(=O)N2CCCN(c3cc[nH+]cc3)CC2)n1 ZINC000899174105 663678477 /nfs/dbraw/zinc/67/84/77/663678477.db2.gz FKYHTYMMKSQKQA-UHFFFAOYSA-N 1 0 392.301 2.974 20 0 GFADRO [NH3+][C@@H](c1cn([C@H]2CCOc3ccc(Br)cc32)nn1)[C@H]1CCCO1 ZINC000899738787 663699691 /nfs/dbraw/zinc/69/96/91/663699691.db2.gz JFQYIZFYZJBHKW-IMJJTQAJSA-N 1 0 379.258 2.591 20 0 GFADRO Cn1cc(-c2noc(C3(c4ccc(Br)cc4)CC[NH2+]CC3)n2)cn1 ZINC000899998696 663706200 /nfs/dbraw/zinc/70/62/00/663706200.db2.gz SXFVRNSRBICIDT-UHFFFAOYSA-N 1 0 388.269 2.902 20 0 GFADRO C[NH+]1CCN(CCCNC(=O)CCCc2ccc(Br)cc2)CC1 ZINC000899991193 663706271 /nfs/dbraw/zinc/70/62/71/663706271.db2.gz COVJCXQJLVFGNH-UHFFFAOYSA-N 1 0 382.346 2.526 20 0 GFADRO C[C@@H]1CCC[N@H+](CCCCNC(=O)c2cc3ncc(Br)cn3n2)C1 ZINC000900216657 663710128 /nfs/dbraw/zinc/71/01/28/663710128.db2.gz XSMJDDPWUKPXQF-CYBMUJFWSA-N 1 0 394.317 2.734 20 0 GFADRO CC(C)[NH+](Cc1cn(CC(=O)Nc2ccc(Br)cn2)nn1)C(C)C ZINC000900516026 663716063 /nfs/dbraw/zinc/71/60/63/663716063.db2.gz YDTJANJVHFGPCI-UHFFFAOYSA-N 1 0 395.305 2.693 20 0 GFADRO O=C(NCCc1ccc(Br)cc1)C1CCC([NH+]2CCOCC2)CC1 ZINC000900743677 663720752 /nfs/dbraw/zinc/72/07/52/663720752.db2.gz UNCSJMDDYUEENV-UHFFFAOYSA-N 1 0 395.341 2.999 20 0 GFADRO O=C(NC1CCN(Cc2ccc(Br)cc2)CC1)C12CC[NH+](CC1)C2 ZINC000901083521 663730272 /nfs/dbraw/zinc/73/02/72/663730272.db2.gz VRKBODVCEVKDCK-UHFFFAOYSA-N 1 0 392.341 2.626 20 0 GFADRO C[N@@H+]1CCC[C@](O)(CC(=O)N(Cc2csc(Br)c2)C2CC2)C1 ZINC000901184119 663732023 /nfs/dbraw/zinc/73/20/23/663732023.db2.gz IXBUASKAIJWKEH-INIZCTEOSA-N 1 0 387.343 2.848 20 0 GFADRO C[C@@H](NC(=O)CN1CSCCSC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000901359354 663734642 /nfs/dbraw/zinc/73/46/42/663734642.db2.gz DWOXUFSZWGZDCI-SJLPKXTDSA-N 1 0 379.595 2.710 20 0 GFADRO COC(=O)[C@H](NC[C@H]1CC[N@@H+]1C1CCOCC1)c1ccccc1Br ZINC000901623940 663740000 /nfs/dbraw/zinc/74/00/00/663740000.db2.gz LRFQEMSEBIPKJH-RHSMWYFYSA-N 1 0 397.313 2.506 20 0 GFADRO Cc1nc(NC(=O)[C@@H](C)[NH2+][C@@H]2CCc3ncc(Br)n3C2)sc1C ZINC000901728884 663743797 /nfs/dbraw/zinc/74/37/97/663743797.db2.gz OMZOCGAUTUQFCH-MWLCHTKSSA-N 1 0 398.330 2.651 20 0 GFADRO CC(C)(C)CN1CCC[C@@H]([NH2+][C@H]2CCc3ncc(Br)n3C2)C1=O ZINC000901728923 663743830 /nfs/dbraw/zinc/74/38/30/663743830.db2.gz PKCVSWOGKGRSQR-QWHCGFSZSA-N 1 0 383.334 2.587 20 0 GFADRO O=C(NC1CC1)[C@H]([NH2+][C@H]1CCc2ncc(Br)n2C1)c1ccccc1 ZINC000901729677 663743985 /nfs/dbraw/zinc/74/39/85/663743985.db2.gz SEFWABOIXBQLIM-WMLDXEAASA-N 1 0 389.297 2.570 20 0 GFADRO O=C1NC2(CC[NH+](Cc3ccccc3)CC2)C(=O)N1CC1(Br)CC1 ZINC000902593027 663764151 /nfs/dbraw/zinc/76/41/51/663764151.db2.gz PQEDZPZUOUXGCW-UHFFFAOYSA-N 1 0 392.297 2.501 20 0 GFADRO Cc1ccsc1-c1nn(CN2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)c(=S)o1 ZINC000902641952 663765052 /nfs/dbraw/zinc/76/50/52/663765052.db2.gz CQESMRUQOISZPS-ZIAGYGMSSA-N 1 0 380.539 2.731 20 0 GFADRO C[C@@H]([NH2+][C@H](C)c1cccc(S(=O)(=O)C(F)(F)F)c1)C(=O)NC(C)(C)C ZINC000903083601 663772747 /nfs/dbraw/zinc/77/27/47/663772747.db2.gz KAOVXTRLVOGJPC-GHMZBOCLSA-N 1 0 380.432 2.934 20 0 GFADRO C[C@H]([NH2+][C@@H](C)c1cccc(S(=O)(=O)C(F)(F)F)c1)C(=O)N1CCCC1 ZINC000903167400 663776746 /nfs/dbraw/zinc/77/67/46/663776746.db2.gz JWDICHWXEWGRPS-RYUDHWBXSA-N 1 0 378.416 2.642 20 0 GFADRO CC(C)S(=O)(=O)CC[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)CC(C)(C)C1 ZINC000903172909 663777065 /nfs/dbraw/zinc/77/70/65/663777065.db2.gz UZCBUSBNQDBQBZ-OAHLLOKOSA-N 1 0 376.563 2.825 20 0 GFADRO CO[C@@H]1COCC[C@@H]1C[NH2+][C@H](C)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000903179826 663777260 /nfs/dbraw/zinc/77/72/60/663777260.db2.gz UFFIAWOGDMRKCS-UXIGCNINSA-N 1 0 381.416 2.682 20 0 GFADRO C[C@H]([NH2+]CC1(S(=O)(=O)NC(C)(C)C)CCC1)c1ccc([S@@](C)=O)cc1 ZINC000903189395 663777618 /nfs/dbraw/zinc/77/76/18/663777618.db2.gz VRKLXOMXEJZHOI-LFPIHBKWSA-N 1 0 386.583 2.715 20 0 GFADRO O=S(=O)(/C=C\c1ccc(Br)cc1)N1CCC([NH+]2CCC2)CC1 ZINC000903203830 663778502 /nfs/dbraw/zinc/77/85/02/663778502.db2.gz XRHOTUBOIQUIDX-JYRVWZFOSA-N 1 0 385.327 2.920 20 0 GFADRO C[C@H]([NH2+]CCC[C@@H]1CCOC1=O)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000903216603 663778781 /nfs/dbraw/zinc/77/87/81/663778781.db2.gz FBCCPAHKKLDWJK-NWDGAFQWSA-N 1 0 379.400 2.974 20 0 GFADRO CS(C)(=O)=NS(=O)(=O)CC[NH2+][C@H]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000903226130 663779058 /nfs/dbraw/zinc/77/90/58/663779058.db2.gz LJFYEHSKLMEZEB-ZFWWWQNUSA-N 1 0 378.947 2.623 20 0 GFADRO CC(C)(C)C[C@@H]([NH2+]CCS(=O)(=O)N=S(C)(C)=O)c1ccc(F)cc1 ZINC000903226377 663779126 /nfs/dbraw/zinc/77/91/26/663779126.db2.gz LVGOVNSTHRQPPV-OAHLLOKOSA-N 1 0 378.535 2.950 20 0 GFADRO CS(C)(=O)=NS(=O)(=O)CC[NH2+][C@H]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000903228217 663779400 /nfs/dbraw/zinc/77/94/00/663779400.db2.gz XDTPUARWSNTUNG-ZFWWWQNUSA-N 1 0 378.947 2.623 20 0 GFADRO C[C@@H]([NH2+][C@@H](C)CCNS(=O)(=O)c1ccccc1)C1(Br)CC1 ZINC000903231566 663779905 /nfs/dbraw/zinc/77/99/05/663779905.db2.gz OFEYNWHXAUZISY-QWHCGFSZSA-N 1 0 375.332 2.649 20 0 GFADRO CC[C@@](O)(CCC(F)(F)F)C[NH2+][C@H](C)c1ccc(S(=O)(=O)NC)cc1 ZINC000903257857 663780557 /nfs/dbraw/zinc/78/05/57/663780557.db2.gz YZPCGZHQYZFCLT-IUODEOHRSA-N 1 0 382.448 2.729 20 0 GFADRO C[C@@H](CCc1ccc(I)cc1)[NH2+]C1CC(CC(N)=O)C1 ZINC000903261642 663780680 /nfs/dbraw/zinc/78/06/80/663780680.db2.gz ZQVOPXLVEOCGJV-ZOODHJKOSA-N 1 0 386.277 2.856 20 0 GFADRO CO[C@]1(C[NH2+][C@@H](C)CCc2ccc(C(F)(F)F)cc2)CCS(=O)(=O)C1 ZINC000903361751 663782555 /nfs/dbraw/zinc/78/25/55/663782555.db2.gz ASQXRDAKCXTFTL-BBRMVZONSA-N 1 0 379.444 2.820 20 0 GFADRO CO[C@]1(C[NH2+][C@H](C)c2cc(Br)ccc2C)CCS(=O)(=O)C1 ZINC000903363212 663782727 /nfs/dbraw/zinc/78/27/27/663782727.db2.gz MPIOEVSSTVMJRY-DOMZBBRYSA-N 1 0 376.316 2.612 20 0 GFADRO CO[C@]1(C[NH2+][C@H](C)[C@@H](C)Oc2ccc(Cl)cc2Cl)CCS(=O)(=O)C1 ZINC000903366593 663783044 /nfs/dbraw/zinc/78/30/44/663783044.db2.gz DNLVIMRCFYJROM-HSMVNMDESA-N 1 0 396.336 2.943 20 0 GFADRO CO[C@]1(C[NH2+][C@@H](C)CCc2cccc(C(F)(F)F)c2)CCS(=O)(=O)C1 ZINC000903368932 663783228 /nfs/dbraw/zinc/78/32/28/663783228.db2.gz RXDGRYGGNLOCPX-BBRMVZONSA-N 1 0 379.444 2.820 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCN(c2cn[nH]c(=O)c2Cl)C1)c1ccc([S@](C)=O)cc1 ZINC000903433913 663784675 /nfs/dbraw/zinc/78/46/75/663784675.db2.gz GWPXJSGGXYCSFS-QLYRYJBHSA-N 1 0 380.901 2.503 20 0 GFADRO O=S1(=O)CC[C@H]([NH2+][C@H]2COC[C@@H]2C2CC2)c2cc(Br)ccc21 ZINC000903438577 663784869 /nfs/dbraw/zinc/78/48/69/663784869.db2.gz VLPAHTAJZXGRHU-ILXRZTDVSA-N 1 0 386.311 2.682 20 0 GFADRO COC(=O)C1CC2(C1)C[C@H]([NH2+][C@H]1CCCc3sccc31)CCS2(=O)=O ZINC000903453199 663785148 /nfs/dbraw/zinc/78/51/48/663785148.db2.gz UUOPHNBNSTUBCV-WFGSVCOBSA-N 1 0 383.535 2.614 20 0 GFADRO C[C@H](NS(=O)(=O)Cc1cccc(Cl)c1Br)[C@H]1CCC[NH2+]C1 ZINC000903513222 663786263 /nfs/dbraw/zinc/78/62/63/663786263.db2.gz YQSCRACMKJZFJR-QWRGUYRKSA-N 1 0 395.750 2.910 20 0 GFADRO COc1cccc(S(=O)(=O)N(CC[NH3+])Cc2cccc(Cl)c2)c1OC ZINC000903517857 663786716 /nfs/dbraw/zinc/78/67/16/663786716.db2.gz SKRHGODYLSJBBA-UHFFFAOYSA-N 1 0 384.885 2.507 20 0 GFADRO Cc1ccc(NC(=O)[C@@H](C)N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)c(Br)c1 ZINC000903517167 663786755 /nfs/dbraw/zinc/78/67/55/663786755.db2.gz CLGKBLZERYUPMT-CKYFFXLPSA-N 1 0 394.235 2.906 20 0 GFADRO Cc1cnc(Cl)c(S(=O)(=O)N2CCC(C[NH3+])(c3ccccc3)CC2)c1 ZINC000903532468 663787439 /nfs/dbraw/zinc/78/74/39/663787439.db2.gz HDDCZGXTZGWJRF-UHFFFAOYSA-N 1 0 379.913 2.725 20 0 GFADRO [NH3+]CC1([C@H]2CCCCN2S(=O)(=O)c2ccc(C(F)(F)F)nc2)CCC1 ZINC000903545864 663788025 /nfs/dbraw/zinc/78/80/25/663788025.db2.gz CDNSOMHBVMBHRE-CQSZACIVSA-N 1 0 377.432 2.773 20 0 GFADRO [NH3+]CC1([C@@H]2CCCCN2S(=O)(=O)c2c[nH]c3ncc(Cl)cc23)CCC1 ZINC000903546054 663788189 /nfs/dbraw/zinc/78/81/89/663788189.db2.gz HMSAHYLEBQVEIJ-HNNXBMFYSA-N 1 0 382.917 2.889 20 0 GFADRO Cc1sc(Br)cc1S(=O)(=O)NC1(C2CC[NH2+]CC2)CC1 ZINC000903556723 663788515 /nfs/dbraw/zinc/78/85/15/663788515.db2.gz HCQVZARJYDARLG-UHFFFAOYSA-N 1 0 379.345 2.630 20 0 GFADRO CCc1ccc(S(=O)(=O)N[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)s1 ZINC000903572704 663789331 /nfs/dbraw/zinc/78/93/31/663789331.db2.gz CIGDXRXVMVOSNR-CRAIPNDOSA-N 1 0 378.519 2.845 20 0 GFADRO [NH3+][C@@H]1CN(S(=O)(=O)c2csc(-c3ccccc3)n2)CC[C@@H]1C(F)(F)F ZINC000903578243 663789929 /nfs/dbraw/zinc/78/99/29/663789929.db2.gz DJBIMQPMBXHLTO-NWDGAFQWSA-N 1 0 391.440 2.710 20 0 GFADRO [NH3+][C@@H]1CN(S(=O)(=O)Cc2cccc(C(F)(F)F)c2)CC[C@@H]1C(F)(F)F ZINC000903580872 663790419 /nfs/dbraw/zinc/79/04/19/663790419.db2.gz YULXLWUAEYDTNE-NWDGAFQWSA-N 1 0 390.349 2.747 20 0 GFADRO C[C@H]1CC2(CN1CCS(=O)(=O)c1nc3ccccc3s1)CC[NH2+]CC2 ZINC000903763428 663806149 /nfs/dbraw/zinc/80/61/49/663806149.db2.gz JSLQLXTZHDOAMS-AWEZNQCLSA-N 1 0 379.551 2.534 20 0 GFADRO Brc1cccc2c1CN(Cc1cnnn1[C@H]1CCC[NH2+]C1)CC2 ZINC000903894871 663810370 /nfs/dbraw/zinc/81/03/70/663810370.db2.gz GXLUWAGOWYOYGP-AWEZNQCLSA-N 1 0 376.302 2.523 20 0 GFADRO CN(Cc1cnnn1[C@@H]1CCC[NH2+]C1)Cc1ccc(Br)cc1F ZINC000903934378 663812509 /nfs/dbraw/zinc/81/25/09/663812509.db2.gz FVXSZCKNQUWYHM-CQSZACIVSA-N 1 0 382.281 2.736 20 0 GFADRO C[N@@H+]1CC[C@@H](Cc2nc(CC(=O)Nc3ccccc3Br)no2)C1 ZINC000904050813 663820443 /nfs/dbraw/zinc/82/04/43/663820443.db2.gz PLLITBKWMRTGCG-NSHDSACASA-N 1 0 379.258 2.508 20 0 GFADRO [NH3+]C[C@]12CC[C@H]1CCCN2C(=O)Nc1cc2c(cc1Br)OCCO2 ZINC000904279410 663829900 /nfs/dbraw/zinc/82/99/00/663829900.db2.gz UTFBDCOUAINRCC-PIGZYNQJSA-N 1 0 396.285 2.956 20 0 GFADRO CC1(C)C[NH2+]C[C@H]1NC(=O)Nc1ccc(F)cc1I ZINC000904366804 663831841 /nfs/dbraw/zinc/83/18/41/663831841.db2.gz PVQCIRSSLYMODR-LLVKDONJSA-N 1 0 377.201 2.550 20 0 GFADRO [NH3+]C1(CNCc2cc(Br)ccc2Br)CCOCC1 ZINC000904379709 663832095 /nfs/dbraw/zinc/83/20/95/663832095.db2.gz CKLOTDBQEHIKTO-UHFFFAOYSA-N 1 0 378.108 2.809 20 0 GFADRO [NH3+]C[C@@]12CC[C@H]1CCN2C(=O)Nc1cnn(-c2ccccc2Br)c1 ZINC000904392924 663832561 /nfs/dbraw/zinc/83/25/61/663832561.db2.gz DJKHISXLWUHTNJ-SJCJKPOMSA-N 1 0 390.285 2.980 20 0 GFADRO Fc1cc2c(cc1Br)CCN(Cc1cnnn1[C@H]1CCC[NH2+]C1)C2 ZINC000904428101 663833634 /nfs/dbraw/zinc/83/36/34/663833634.db2.gz DIQBLEPAEOBTSD-AWEZNQCLSA-N 1 0 394.292 2.663 20 0 GFADRO CN(C(=O)Nc1ccc(Br)c(C2CC2)n1)C1(C[NH3+])CCOCC1 ZINC000904485691 663836017 /nfs/dbraw/zinc/83/60/17/663836017.db2.gz YCERPWBCDOWDDI-UHFFFAOYSA-N 1 0 383.290 2.693 20 0 GFADRO COCCOc1ccc(NC(=O)N2CC[C@@H]3CC[C@]32C[NH3+])cc1Br ZINC000904548417 663837280 /nfs/dbraw/zinc/83/72/80/663837280.db2.gz KIJCQHANWQJMNI-SJCJKPOMSA-N 1 0 398.301 2.819 20 0 GFADRO COCCOc1ccc(NC(=O)N2C[C@@H]([NH3+])C(C)(C)C2)cc1Br ZINC000904548471 663837499 /nfs/dbraw/zinc/83/74/99/663837499.db2.gz LFRXUDIEXWTBLH-CQSZACIVSA-N 1 0 386.290 2.675 20 0 GFADRO COCCOc1ccc(NC(=O)N2CCC[C@@H]3[NH2+]CC[C@@H]32)cc1Br ZINC000904549914 663837507 /nfs/dbraw/zinc/83/75/07/663837507.db2.gz YVXYLRUXHVFFSC-GJZGRUSLSA-N 1 0 398.301 2.833 20 0 GFADRO COCCOc1ccc(NC(=O)N[C@H](CC[NH3+])C(F)F)cc1Br ZINC000904552331 663838124 /nfs/dbraw/zinc/83/81/24/663838124.db2.gz UXSMNWLNBKOLHM-LLVKDONJSA-N 1 0 396.232 2.578 20 0 GFADRO CCOc1ccccc1[C@H]([NH3+])Cc1nc(Cn2cc(Br)cn2)no1 ZINC000904618721 663838692 /nfs/dbraw/zinc/83/86/92/663838692.db2.gz SRXRGHIAAQSXBX-CYBMUJFWSA-N 1 0 392.257 2.718 20 0 GFADRO C[C@@H]1C[NH2+]C[C@H]1Cc1nc(Cc2cc3c(cc2Br)OCO3)no1 ZINC000904667676 663839818 /nfs/dbraw/zinc/83/98/18/663839818.db2.gz YKUHSIDYNVCUDT-MWLCHTKSSA-N 1 0 380.242 2.550 20 0 GFADRO CN(C)C(=O)[C@H]1CCCN1CCC[NH2+]C[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC000905091021 663852178 /nfs/dbraw/zinc/85/21/78/663852178.db2.gz XDADFGCNXXWGGQ-IAGOWNOFSA-N 1 0 388.339 2.559 20 0 GFADRO O[C@@H](C[NH2+][C@@H]1CCN(c2ccccc2Br)C1)CC1(O)CCCC1 ZINC000905102456 663853361 /nfs/dbraw/zinc/85/33/61/663853361.db2.gz DFIVMFJKCMHSPM-HUUCEWRRSA-N 1 0 383.330 2.674 20 0 GFADRO OCC1(C[C@@H](O)C[NH2+][C@H]2CCN(c3ccccc3Br)C2)CCCC1 ZINC000905105415 663853535 /nfs/dbraw/zinc/85/35/35/663853535.db2.gz VXQREBLLZXODJH-JKSUJKDBSA-N 1 0 397.357 2.921 20 0 GFADRO CS[C@@H](C)C[NH2+]C[C@@H](O)c1ccc2c(c1)CN(C(=O)C(F)(F)F)CC2 ZINC000905182065 663856997 /nfs/dbraw/zinc/85/69/97/663856997.db2.gz VMLGUHJWLXCUPQ-XHDPSFHLSA-N 1 0 376.444 2.508 20 0 GFADRO C[C@@](O)(C[NH2+]Cc1ccc(S(C)(=O)=O)c(Cl)c1)C(F)(F)C(F)(F)F ZINC000905231644 663861039 /nfs/dbraw/zinc/86/10/39/663861039.db2.gz KYWJIPQAEOYMJQ-LLVKDONJSA-N 1 0 395.777 2.782 20 0 GFADRO O=S(=O)(CCC[NH2+]C[C@H](O)CC1(O)CCCCC1)c1ccc(Cl)cc1 ZINC000905274719 663863601 /nfs/dbraw/zinc/86/36/01/663863601.db2.gz QCJJVIAKWSFWEA-MRXNPFEDSA-N 1 0 389.945 2.540 20 0 GFADRO O=S(=O)(CC1CC[NH2+]CC1)N1CCC(c2nc3ccccc3s2)CC1 ZINC000905330559 663865911 /nfs/dbraw/zinc/86/59/11/663865911.db2.gz CKUBNHBISCEOTD-UHFFFAOYSA-N 1 0 379.551 2.805 20 0 GFADRO O=C(NCCC[NH+]1CCCCC1)c1cc(Br)cn(C2CC2)c1=O ZINC000905336600 663866201 /nfs/dbraw/zinc/86/62/01/663866201.db2.gz UYXYPRUTTGWXMP-UHFFFAOYSA-N 1 0 382.302 2.552 20 0 GFADRO CC1(C)C[NH2+][C@@H]1C1CCN(S(=O)(=O)c2ccccc2Br)CC1 ZINC000905359917 663867615 /nfs/dbraw/zinc/86/76/15/663867615.db2.gz QFVJYRWVVPRGON-OAHLLOKOSA-N 1 0 387.343 2.848 20 0 GFADRO O[C@@H](C[NH2+]C[C@H](O)c1cccc(Br)c1)C[C@@H](O)c1ccccc1 ZINC000905369864 663867915 /nfs/dbraw/zinc/86/79/15/663867915.db2.gz DBHLIHPCYVOVAD-KURKYZTESA-N 1 0 380.282 2.557 20 0 GFADRO CC[NH+]1CCC(NC(=O)c2ccc(Cn3cc(Br)cn3)s2)CC1 ZINC000905380877 663868603 /nfs/dbraw/zinc/86/86/03/663868603.db2.gz MXBRXYFODOUEAJ-UHFFFAOYSA-N 1 0 397.342 2.970 20 0 GFADRO COc1cccc([C@@H](CNC(=O)C[C@H](O)C(Cl)(Cl)Cl)[NH+](C)C)c1 ZINC000905392699 663869276 /nfs/dbraw/zinc/86/92/76/663869276.db2.gz NVIIRJWRWLGKSL-OLZOCXBDSA-N 1 0 383.703 2.535 20 0 GFADRO O[C@H](C[NH2+]Cc1ccc2ccc(Br)cc2c1)C[C@@]1(O)CCOC1 ZINC000905419263 663870803 /nfs/dbraw/zinc/87/08/03/663870803.db2.gz UQDLQWXLYFTQGD-ROUUACIJSA-N 1 0 380.282 2.594 20 0 GFADRO Cc1ccc(Cl)c(OC[C@H](O)C[NH2+]C[C@H](O)C(F)(F)C(F)(F)F)c1 ZINC000905448562 663871962 /nfs/dbraw/zinc/87/19/62/663871962.db2.gz XMUDOZMFLMWHES-SKDRFNHKSA-N 1 0 377.737 2.536 20 0 GFADRO COCCOC[C@@H](O)C[NH2+]Cc1cc(C(F)(F)F)ccc1Br ZINC000905463938 663872598 /nfs/dbraw/zinc/87/25/98/663872598.db2.gz BHCWHMRHNTVEBM-LBPRGKRZSA-N 1 0 386.208 2.581 20 0 GFADRO C[C@@](O)(C[NH2+]C1CC(CC(N)=O)C1)c1ccc(Br)cc1Cl ZINC000905533819 663877126 /nfs/dbraw/zinc/87/71/26/663877126.db2.gz LOQZTPQOWQTMRC-LVXGCGQJSA-N 1 0 375.694 2.554 20 0 GFADRO COc1cc(NC(=O)CC[NH2+]C[C@@]2(OC)CCSC2)c(OC)cc1Cl ZINC000905545482 663877737 /nfs/dbraw/zinc/87/77/37/663877737.db2.gz FVARLOWJFWSCQA-KRWDZBQOSA-N 1 0 388.917 2.798 20 0 GFADRO O[C@@H](C[NH2+]CC1(C2(O)CCOCC2)CC1)COc1cc(Cl)cc(Cl)c1 ZINC000905550483 663878036 /nfs/dbraw/zinc/87/80/36/663878036.db2.gz FVPJWIGWLCGZMG-HNNXBMFYSA-N 1 0 390.307 2.644 20 0 GFADRO CCS(=O)(=O)c1ccccc1CC[NH2+]C[C@@](C)(O)C(F)(F)C(F)(F)F ZINC000905562676 663878663 /nfs/dbraw/zinc/87/86/63/663878663.db2.gz XZTHACABFQGLIX-CYBMUJFWSA-N 1 0 389.386 2.561 20 0 GFADRO O[C@H](C[NH2+]C[C@@H]1CCN1C1CCOCC1)COc1cc(Cl)cc(Cl)c1 ZINC000905619429 663881741 /nfs/dbraw/zinc/88/17/41/663881741.db2.gz MTLGQICOTYEMJK-DLBZAZTESA-N 1 0 389.323 2.576 20 0 GFADRO COC(=O)[C@H]1C[C@@H]2C[C@H]([NH2+]C[C@H](O)COc3ccc(Cl)c(Cl)c3)[C@@H]2C1 ZINC000905655762 663884173 /nfs/dbraw/zinc/88/41/73/663884173.db2.gz ZSNMRXRBFGYNGS-WHOOJLRASA-N 1 0 388.291 2.910 20 0 GFADRO COC(=O)C1CC2(C1)C[C@H]([NH2+]C[C@@](C)(O)C(F)(F)C(F)(F)F)CCS2 ZINC000905698277 663887303 /nfs/dbraw/zinc/88/73/03/663887303.db2.gz ZGHFBXWZOPHPFH-JKFXUVRWSA-N 1 0 391.402 2.742 20 0 GFADRO C[C@]1(C2CCN(Cn3ncc4c3cccc4Br)CC2)COC(=O)N1 ZINC000905711080 663888208 /nfs/dbraw/zinc/88/82/08/663888208.db2.gz UCVBDJGYZBDEDN-QGZVFWFLSA-N 1 0 393.285 2.967 20 0 GFADRO C[C@@H]1OC[C@]2(CC[C@H](C[NH2+][C@H](C(N)=O)c3ccc(Br)cc3)O2)[C@H]1C ZINC000905841721 663896013 /nfs/dbraw/zinc/89/60/13/663896013.db2.gz FOKVSEUOMTUJBG-PADGBSRFSA-N 1 0 397.313 2.538 20 0 GFADRO NC(=O)[C@H]([NH2+]C[C@H]1CC[C@H](C(F)(F)F)O1)c1cccc(Br)c1 ZINC000905850222 663896611 /nfs/dbraw/zinc/89/66/11/663896611.db2.gz GMEJJOAYDWMTKB-IJLUTSLNSA-N 1 0 381.192 2.675 20 0 GFADRO Cc1cccc([C@H](O)C[NH+]2CCC(NS(=O)(=O)c3cccs3)CC2)c1 ZINC000905898880 663899517 /nfs/dbraw/zinc/89/95/17/663899517.db2.gz QTRWPWSMDFCTBY-QGZVFWFLSA-N 1 0 380.535 2.533 20 0 GFADRO CN1CC[NH+](C[C@H](O)CNc2cc(Br)c3ccccc3c2)CC1 ZINC000905981884 663905150 /nfs/dbraw/zinc/90/51/50/663905150.db2.gz MBGOTUZZLVJKLT-MRXNPFEDSA-N 1 0 378.314 2.623 20 0 GFADRO C[C@H]1CCCC[N@@H+]1Cc1ccc(NS(=O)(=O)N=S2(=O)CCCC2)cc1 ZINC000906063151 663917665 /nfs/dbraw/zinc/91/76/65/663917665.db2.gz VZGQYPGYNYWJPX-HNNXBMFYSA-N 1 0 385.555 2.980 20 0 GFADRO C[NH+]1CCC(OCC(=O)N=[S@](C)(=O)c2cccc(Br)c2)CC1 ZINC000906350184 663940151 /nfs/dbraw/zinc/94/01/51/663940151.db2.gz VHFIJEVVUTWXLH-JOCHJYFZSA-N 1 0 389.315 2.543 20 0 GFADRO O=C(NC[C@@H]1CCN1C1CCOCC1)c1sc(Cl)nc1C(F)(F)F ZINC000906441250 663948105 /nfs/dbraw/zinc/94/81/05/663948105.db2.gz FBSXEPYATLOIPB-VIFPVBQESA-N 1 0 383.823 2.798 20 0 GFADRO CC(C)[N@@H+]1CCCN(C(=O)c2cnnn2-c2ccccc2Br)CC1 ZINC000906544782 663957065 /nfs/dbraw/zinc/95/70/65/663957065.db2.gz KSUCIAJGEDOCER-UHFFFAOYSA-N 1 0 392.301 2.586 20 0 GFADRO Cc1cc(Br)c(CC(=O)NCCCN2CCC[N@@H+](C)CC2)s1 ZINC000906683939 663964717 /nfs/dbraw/zinc/96/47/17/663964717.db2.gz RTJFIBBNTLCCMA-UHFFFAOYSA-N 1 0 388.375 2.505 20 0 GFADRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(F)(F)c1ncccc1Br ZINC000906713096 663966470 /nfs/dbraw/zinc/96/64/70/663966470.db2.gz YBAGJUKRQDTFDX-LLVKDONJSA-N 1 0 376.245 2.736 20 0 GFADRO O=C(Nc1cc(Br)c2ccccc2c1)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000906732333 663967314 /nfs/dbraw/zinc/96/73/14/663967314.db2.gz LKEAEWVJAJXQNY-XFBWCDHKSA-N 1 0 388.265 2.550 20 0 GFADRO Cc1c(C(=O)N(C)CCCC[NH+](C)C)nnn1-c1ccccc1Br ZINC000906751984 663968276 /nfs/dbraw/zinc/96/82/76/663968276.db2.gz ZHDOWVPGYVIOSQ-UHFFFAOYSA-N 1 0 394.317 2.752 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2nscc2I)C[C@H]1C ZINC000906776585 663970156 /nfs/dbraw/zinc/97/01/56/663970156.db2.gz CVEFRTBCZMNIHX-NXEZZACHSA-N 1 0 393.294 2.693 20 0 GFADRO C[C@@H]1C[C@@H](N(C)C(=O)c2cnnn2-c2ccccc2Br)CC[N@@H+]1C ZINC000906793776 663971601 /nfs/dbraw/zinc/97/16/01/663971601.db2.gz SFMBZFNJOCIHMD-OLZOCXBDSA-N 1 0 392.301 2.585 20 0 GFADRO Cc1cc(Br)c(CC(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)s1 ZINC000906809295 663973035 /nfs/dbraw/zinc/97/30/35/663973035.db2.gz DHTBLGMTPIKSTH-CYBMUJFWSA-N 1 0 387.343 2.542 20 0 GFADRO C[NH+](C)[C@]1(CNC(=O)c2cnc(NC(=O)OC(C)(C)C)s2)CCSC1 ZINC000906903894 663980812 /nfs/dbraw/zinc/98/08/12/663980812.db2.gz YPIQIJVUEXEULZ-INIZCTEOSA-N 1 0 386.543 2.657 20 0 GFADRO COC1CC[NH+](CCNC(=O)Cc2sc(C)cc2Br)CC1 ZINC000906929953 663983119 /nfs/dbraw/zinc/98/31/19/663983119.db2.gz AQNGWYIUDFPQST-UHFFFAOYSA-N 1 0 375.332 2.589 20 0 GFADRO C[NH+]1CCN(CCC(C)(C)NS(=O)(=O)c2cc3ccccc3s2)CC1 ZINC000907131099 664005487 /nfs/dbraw/zinc/00/54/87/664005487.db2.gz PZUSVMSTIWEAQT-UHFFFAOYSA-N 1 0 381.567 2.596 20 0 GFADRO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)S(=O)(=O)C[C@@H]3CCCOC3)C2)s1 ZINC000907343329 664025441 /nfs/dbraw/zinc/02/54/41/664025441.db2.gz BJJALRQZBYWPLB-DLBZAZTESA-N 1 0 386.583 2.567 20 0 GFADRO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)S(=O)(=O)c3c[nH]nc3Cl)C2)s1 ZINC000907343307 664025585 /nfs/dbraw/zinc/02/55/85/664025585.db2.gz AVYYWYYASDZZRU-LBPRGKRZSA-N 1 0 388.946 2.576 20 0 GFADRO CCOC[C@@H](C)CS(=O)(=O)N(C)C[C@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000907346436 664026520 /nfs/dbraw/zinc/02/65/20/664026520.db2.gz MJHFIZFNSWVJTI-NVXWUHKLSA-N 1 0 388.599 2.813 20 0 GFADRO CC[NH+](CC)CCOCCNC(=O)c1c(C)ccc(F)c1Br ZINC000907358946 664028245 /nfs/dbraw/zinc/02/82/45/664028245.db2.gz SILSICAZSGLUMS-UHFFFAOYSA-N 1 0 375.282 2.985 20 0 GFADRO CC1([NH+]2CCC2)CCC(NS(=O)(=O)c2c[nH]c3ncc(Cl)cc23)CC1 ZINC000907430830 664033980 /nfs/dbraw/zinc/03/39/80/664033980.db2.gz RTNAYBSWOMQHNS-UHFFFAOYSA-N 1 0 382.917 2.902 20 0 GFADRO CN(CC1([NH+](C)C)CCC1)C(=O)c1cc(Br)cn(C2CC2)c1=O ZINC000907613845 664048495 /nfs/dbraw/zinc/04/84/95/664048495.db2.gz GOMUXZFOPLDBBP-UHFFFAOYSA-N 1 0 382.302 2.502 20 0 GFADRO CN(Cc1ccc(F)cc1Br)C(=O)c1ccnn1CC[NH+](C)C ZINC000907707967 664054679 /nfs/dbraw/zinc/05/46/79/664054679.db2.gz LXNKKBXUBAPTQK-UHFFFAOYSA-N 1 0 383.265 2.619 20 0 GFADRO Cc1cc(C)c(CC(=O)N2CC[C@@H]([N@@H+]3CC[C@H](O)C3)C2)c(C)c1Br ZINC000908198992 664091265 /nfs/dbraw/zinc/09/12/65/664091265.db2.gz BILIBQKBEKLNLD-CVEARBPZSA-N 1 0 395.341 2.584 20 0 GFADRO Cc1nc(SC(F)F)sc1CC(=O)N1CCC(CO)([NH2+]C(C)C)CC1 ZINC000908603455 664117047 /nfs/dbraw/zinc/11/70/47/664117047.db2.gz YYINMAAICSDUDN-UHFFFAOYSA-N 1 0 393.525 2.660 20 0 GFADRO CC[NH+]1CCN(CC(=O)N[C@H](C)c2nc3cc(Cl)c(Cl)cc3[nH]2)CC1 ZINC000908862536 664131615 /nfs/dbraw/zinc/13/16/15/664131615.db2.gz OFTSESGVCKTEIM-LLVKDONJSA-N 1 0 384.311 2.684 20 0 GFADRO Cc1cc(C[NH+](C)C)ccc1NC(=O)c1cc(S(C)(=O)=O)ncc1Cl ZINC000909603630 664164888 /nfs/dbraw/zinc/16/48/88/664164888.db2.gz PIJHRJFPNOFJPY-UHFFFAOYSA-N 1 0 381.885 2.761 20 0 GFADRO CC(C)[N@H+](C)CC(=O)N1CCc2[nH]cnc2[C@H]1c1ccc(Br)cc1 ZINC000911251617 664240120 /nfs/dbraw/zinc/24/01/20/664240120.db2.gz CZKNFJCASGPOFQ-GOSISDBHSA-N 1 0 391.313 2.987 20 0 GFADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCc2[nH]cnc2[C@H]1c1ccc(Br)cc1 ZINC000911249710 664240199 /nfs/dbraw/zinc/24/01/99/664240199.db2.gz NMPGJNIFIAFMFN-NVXWUHKLSA-N 1 0 389.297 2.741 20 0 GFADRO CCCN(C(=O)c1cc(Br)cn(C2CC2)c1=O)[C@H]1CC[N@H+](C)C1 ZINC000911510649 664247457 /nfs/dbraw/zinc/24/74/57/664247457.db2.gz AIZVKPOVCBHPJN-AWEZNQCLSA-N 1 0 382.302 2.502 20 0 GFADRO C[C@H]([NH3+])C1CCN(C(=O)c2cc(Br)cnc2Br)CC1 ZINC000911755039 664255409 /nfs/dbraw/zinc/25/54/09/664255409.db2.gz XQQAVRJRJYNZCO-QMMMGPOBSA-N 1 0 391.107 2.806 20 0 GFADRO C[C@@H](C(=O)N1CCC([C@H](C)[NH3+])CC1)c1ccc(I)cc1 ZINC000911761095 664255722 /nfs/dbraw/zinc/25/57/22/664255722.db2.gz LNTMZHMHPIXRBM-NEPJUHHUSA-N 1 0 386.277 2.981 20 0 GFADRO C[C@H]1CN(C(=O)c2ccc(Cn3cc(Br)cn3)s2)C[C@H](C)[NH2+]1 ZINC000911799504 664256719 /nfs/dbraw/zinc/25/67/19/664256719.db2.gz YZDWPQQSHQOSOJ-QWRGUYRKSA-N 1 0 383.315 2.578 20 0 GFADRO CC(C)C[C@@](C)(C[NH3+])NC(=O)C[C@@H]1c2cccc(Br)c2NC1=O ZINC000911830028 664257718 /nfs/dbraw/zinc/25/77/18/664257718.db2.gz NRKZIOLQIZLRMI-PXAZEXFGSA-N 1 0 382.302 2.755 20 0 GFADRO CC(C)C[C@@](C)(C[NH3+])NC(=O)C[C@H]1c2cc(Br)ccc2NC1=O ZINC000911832962 664257822 /nfs/dbraw/zinc/25/78/22/664257822.db2.gz XESYVMIEDXPEGG-GUYCJALGSA-N 1 0 382.302 2.755 20 0 GFADRO C[C@@H](CNc1ccc(-c2nnc(Br)o2)cc1)[NH+]1CCN(C)CC1 ZINC000911842331 664258425 /nfs/dbraw/zinc/25/84/25/664258425.db2.gz WAPSDSIGGRJBTJ-LBPRGKRZSA-N 1 0 380.290 2.547 20 0 GFADRO [NH3+]CCCOC1CCN(C(=O)c2ccc(Cn3cc(Cl)cn3)s2)CC1 ZINC000911875341 664260192 /nfs/dbraw/zinc/26/01/92/664260192.db2.gz MOARNLBPTGLRRL-UHFFFAOYSA-N 1 0 382.917 2.616 20 0 GFADRO C[C@H](CC(=O)N(CCO)C1CC[NH+](C)CC1)c1ccc(Br)cc1 ZINC000911940745 664262903 /nfs/dbraw/zinc/26/29/03/664262903.db2.gz UVPDSVFVRVHTLE-CQSZACIVSA-N 1 0 383.330 2.858 20 0 GFADRO COc1c(Br)cc(Cl)cc1NC(=O)C[C@@]1(O)CCC[NH2+]C1 ZINC000912189441 664274979 /nfs/dbraw/zinc/27/49/79/664274979.db2.gz UTUFWOBWYAOMOF-AWEZNQCLSA-N 1 0 377.666 2.554 20 0 GFADRO O=C(NCCc1ccc(Br)cc1)c1ncoc1C1CC[NH2+]CC1 ZINC000912284227 664279521 /nfs/dbraw/zinc/27/95/21/664279521.db2.gz DGAOUMUWRONNHG-UHFFFAOYSA-N 1 0 378.270 2.877 20 0 GFADRO NC(=O)c1ccc(NC(=O)c2cnc(CC3CC[NH2+]CC3)s2)cc1Cl ZINC000912301586 664281400 /nfs/dbraw/zinc/28/14/00/664281400.db2.gz UJPBRIFGCCDJRM-UHFFFAOYSA-N 1 0 378.885 2.690 20 0 GFADRO CCN(C(=O)c1nnn(-c2ccccc2Br)c1C)[C@H]1CC[N@H+](C)C1 ZINC000912306093 664281636 /nfs/dbraw/zinc/28/16/36/664281636.db2.gz HCCWBXLJPPVGOL-ZDUSSCGKSA-N 1 0 392.301 2.504 20 0 GFADRO OCC[N@@H+]1CCC[C@@H]2[C@H]1CCN2c1ccc(-c2nnc(Br)o2)cc1 ZINC000912352293 664282975 /nfs/dbraw/zinc/28/29/75/664282975.db2.gz YEDOKMJXZAVDHN-HUUCEWRRSA-N 1 0 393.285 2.535 20 0 GFADRO [NH3+]CCn1cc(Br)cc(C(=O)N2CCC[C@@H]2c2ccsc2)c1=O ZINC000912397120 664285009 /nfs/dbraw/zinc/28/50/09/664285009.db2.gz UEOYQCJKMIFBOP-CQSZACIVSA-N 1 0 396.310 2.608 20 0 GFADRO [NH3+][C@@H]1CCc2cc(C(=O)NCc3ccc(Br)s3)ccc2NC1=O ZINC000912495955 664290624 /nfs/dbraw/zinc/29/06/24/664290624.db2.gz QMGWFBQCGGMFLO-GFCCVEGCSA-N 1 0 394.294 2.653 20 0 GFADRO Cn1ccnc1[C@H](NC(=O)C[C@H]1CC[N@H+](C)C1)c1ccc(Br)cc1 ZINC000912678660 664297107 /nfs/dbraw/zinc/29/71/07/664297107.db2.gz LULHHWZIXYYKOQ-CXAGYDPISA-N 1 0 391.313 2.730 20 0 GFADRO O=C(N1CC[C@@H]([NH+]2CCC2)C1)C1(c2ccc(I)cc2)CC1 ZINC000912907044 664309464 /nfs/dbraw/zinc/30/94/64/664309464.db2.gz DIJFIXQKMGGVLR-OAHLLOKOSA-N 1 0 396.272 2.629 20 0 GFADRO O=C(c1ccc(-n2cc(Br)cn2)cc1)N1CC[C@H]([NH+]2CCC2)C1 ZINC000912921201 664310244 /nfs/dbraw/zinc/31/02/44/664310244.db2.gz BZALZJKHCWPMRC-INIZCTEOSA-N 1 0 375.270 2.555 20 0 GFADRO O=C([C@@H]1CCN(c2cc(Cl)ccc2Cl)C1=O)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000912918448 664310249 /nfs/dbraw/zinc/31/02/49/664310249.db2.gz FDAKZISGLKZWRE-KGLIPLIRSA-N 1 0 382.291 2.653 20 0 GFADRO COc1nsc(CNC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)c1Br ZINC000912946065 664312597 /nfs/dbraw/zinc/31/25/97/664312597.db2.gz KGXXGMNCNKKFHS-AWEZNQCLSA-N 1 0 394.310 2.743 20 0 GFADRO CN1CC[N@H+](C)CC(C(=O)Nc2cc(Cl)c(Br)cc2F)C1 ZINC000912986495 664315558 /nfs/dbraw/zinc/31/55/58/664315558.db2.gz BPSLCMIPVGBGBR-UHFFFAOYSA-N 1 0 378.673 2.674 20 0 GFADRO C[C@H](NC(=O)C[C@@]1(O)CCC[N@H+](C)C1)c1cc(F)c(Br)cc1F ZINC000912992713 664315936 /nfs/dbraw/zinc/31/59/36/664315936.db2.gz LDUIQBFHTNQADR-QFYYESIMSA-N 1 0 391.256 2.751 20 0 GFADRO CC[NH+]1CCN(CCC(=O)Nc2n[nH]c3c2cc(C)cc3Br)CC1 ZINC000913244218 664329186 /nfs/dbraw/zinc/32/91/86/664329186.db2.gz JNSCWWVWUJYYKR-UHFFFAOYSA-N 1 0 394.317 2.600 20 0 GFADRO C[NH+]1C[C@]2(C)CN(C(=O)c3cc(Br)c4nccn4c3)C[C@@]2(C)C1 ZINC000913270427 664330407 /nfs/dbraw/zinc/33/04/07/664330407.db2.gz YBHNKRDNZZIIAP-IAGOWNOFSA-N 1 0 377.286 2.511 20 0 GFADRO COc1cc(Br)c(C(=O)N2C[C@]3(C)C[NH+](C)C[C@@]3(C)C2)cc1OC ZINC000913276839 664330992 /nfs/dbraw/zinc/33/09/92/664330992.db2.gz MZIDRXPKVMNRLD-ROUUACIJSA-N 1 0 397.313 2.880 20 0 GFADRO C[NH+]1C[C@]2(C)CN(C(=O)c3cn(C(C)(C)C)nc3Br)C[C@@]2(C)C1 ZINC000913282084 664331406 /nfs/dbraw/zinc/33/14/06/664331406.db2.gz XPCOMFQEEDCWFL-IAGOWNOFSA-N 1 0 383.334 2.814 20 0 GFADRO Cc1c(C(=O)NC23CC[NH+](CC2)C3)cnn1-c1cccc(Br)c1 ZINC000913629743 664346753 /nfs/dbraw/zinc/34/67/53/664346753.db2.gz KXWDHRKKZHZODQ-UHFFFAOYSA-N 1 0 375.270 2.521 20 0 GFADRO C[NH+]1CCC(n2cc(NC(=O)[C@H](O)c3cccc(Br)c3)cn2)CC1 ZINC000913660224 664348321 /nfs/dbraw/zinc/34/83/21/664348321.db2.gz RSMQAYXXDGRSHT-MRXNPFEDSA-N 1 0 393.285 2.584 20 0 GFADRO C[NH+](C)CC1(O)CCN(C(=O)Cc2ccc(Cl)cc2Br)CC1 ZINC000913680361 664349515 /nfs/dbraw/zinc/34/95/15/664349515.db2.gz MJUPMEOBIIKJCA-UHFFFAOYSA-N 1 0 389.721 2.560 20 0 GFADRO C[N@@H+]1CCC[C@H]2[C@H]1CCN2C(=O)c1cnnn1-c1cc(Cl)ccc1Cl ZINC000913816064 664359969 /nfs/dbraw/zinc/35/99/69/664359969.db2.gz YPUGXYNLWMBCFO-KGLIPLIRSA-N 1 0 380.279 2.883 20 0 GFADRO CC1(C)CC(NC(=O)NCC2(n3cc(Br)cn3)CC2)CC(C)(C)[NH2+]1 ZINC000913839092 664360577 /nfs/dbraw/zinc/36/05/77/664360577.db2.gz IQAJQMOIWDTALK-UHFFFAOYSA-N 1 0 398.349 2.743 20 0 GFADRO C[C@@H]1CN(C[C@H]2CCCN2S(=O)(=O)c2cscc2C(F)F)C[C@@H](C)O1 ZINC000913968500 664369320 /nfs/dbraw/zinc/36/93/20/664369320.db2.gz QELNKEWWQUUGSB-JHJVBQTASA-N 1 0 394.509 2.948 20 0 GFADRO CN(Cc1csc(Br)c1)S(=O)(=O)C[C@@]12CC[N@H+](C1)CCC2 ZINC000913966996 664369438 /nfs/dbraw/zinc/36/94/38/664369438.db2.gz YHOKYMCBVBNCLV-AWEZNQCLSA-N 1 0 393.372 2.758 20 0 GFADRO CN(Cc1ncc(Br)cn1)C(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000914073342 664374343 /nfs/dbraw/zinc/37/43/43/664374343.db2.gz JMDSXLIKWWQELX-CYBMUJFWSA-N 1 0 398.330 2.745 20 0 GFADRO CC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)Cc2ccc(F)cc2Br)C1 ZINC000914205686 664385399 /nfs/dbraw/zinc/38/53/99/664385399.db2.gz XGQUVPOHTRVMOI-LBPRGKRZSA-N 1 0 393.322 2.692 20 0 GFADRO C[C@H](Cc1nc2ccccc2s1)NS(=O)(=O)C[C@@]12CC[N@H+](C1)CCC2 ZINC000914258603 664391689 /nfs/dbraw/zinc/39/16/89/664391689.db2.gz ALEFYYLEDFUECZ-KDOFPFPSSA-N 1 0 379.551 2.633 20 0 GFADRO C[NH+](C)CC1CCN(S(=O)(=O)Cc2ccsc2Br)CC1 ZINC000914311051 664397857 /nfs/dbraw/zinc/39/78/57/664397857.db2.gz MEHQQEIDZWQJAR-UHFFFAOYSA-N 1 0 381.361 2.614 20 0 GFADRO COc1ccccc1[C@@H](O)C[NH2+]C[C@@H](O)COc1ccc(Br)cc1 ZINC000915226653 664424506 /nfs/dbraw/zinc/42/45/06/664424506.db2.gz OJTKYMHMVIHEIP-PBHICJAKSA-N 1 0 396.281 2.521 20 0 GFADRO CC[N@H+](C)Cc1cccc(CNC(=O)NCc2cnc(Br)cn2)c1 ZINC000915399499 664430262 /nfs/dbraw/zinc/43/02/62/664430262.db2.gz BDXWBAWKXCQVKX-UHFFFAOYSA-N 1 0 392.301 2.690 20 0 GFADRO O=C(NCc1sccc1Br)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000915390189 664430272 /nfs/dbraw/zinc/43/02/72/664430272.db2.gz IMPUJYCUVIQWAG-LBPRGKRZSA-N 1 0 388.331 2.563 20 0 GFADRO CC[C@@H](C)[N@H+](C)CCNC(=O)N1CCC[C@@H]1c1ncc(Br)cn1 ZINC000916359577 664458337 /nfs/dbraw/zinc/45/83/37/664458337.db2.gz BJGDLKPKPCQDQT-TZMCWYRMSA-N 1 0 384.322 2.816 20 0 GFADRO C[C@H](CNC(=O)N1CCC[C@H]1c1ncc(Br)cn1)[N@H+](C)C1CC1 ZINC000916850196 664473038 /nfs/dbraw/zinc/47/30/38/664473038.db2.gz CVYVESXNVFQCKZ-RISCZKNCSA-N 1 0 382.306 2.568 20 0 GFADRO C[C@@H](CNC(=O)c1cn(-c2ccccc2Br)nn1)[NH+]1CCCCC1 ZINC000917838882 664490582 /nfs/dbraw/zinc/49/05/82/664490582.db2.gz QDSONYMMEXIIOE-ZDUSSCGKSA-N 1 0 392.301 2.634 20 0 GFADRO O=C(COC(=O)[C@@H]1CC1(Cl)Cl)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000918951994 664506844 /nfs/dbraw/zinc/50/68/44/664506844.db2.gz JQFAMFHXQYLEAZ-HNNXBMFYSA-N 1 0 385.291 2.636 20 0 GFADRO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2S(=O)(=O)Cc1ccsc1Br ZINC000919286638 664510822 /nfs/dbraw/zinc/51/08/22/664510822.db2.gz FUUOACYRFPAUIU-NWDGAFQWSA-N 1 0 379.345 2.509 20 0 GFADRO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NS(=O)(=O)c3cc(C)sc3C)C2)[C@@H]1C(C)C ZINC000920294763 664524578 /nfs/dbraw/zinc/52/45/78/664524578.db2.gz CTFMHOKJOPMSGC-LMSBXDPUSA-N 1 0 386.583 2.513 20 0 GFADRO C[C@@H](c1ccccc1Cl)N1CCN(C(=S)NC2CC[NH+](C)CC2)CC1 ZINC000920309245 664524799 /nfs/dbraw/zinc/52/47/99/664524799.db2.gz RFBBJTQGRIFOMA-HNNXBMFYSA-N 1 0 380.989 2.987 20 0 GFADRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1ccc(Cl)c(S(C)(=O)=O)c1 ZINC000920744159 664530378 /nfs/dbraw/zinc/53/03/78/664530378.db2.gz ATDGWMGJTUPJOK-HZSPNIEDSA-N 1 0 386.945 2.840 20 0 GFADRO COC[C@H](C)NC(=S)N(CC[NH+](C)C)Cc1ccc(C(F)(F)F)cc1 ZINC000920753526 664530388 /nfs/dbraw/zinc/53/03/88/664530388.db2.gz FYEHFTDFAVYQJG-ZDUSSCGKSA-N 1 0 377.476 2.978 20 0 GFADRO C[NH+](C)C[C@@H]1CCCCN1C(=O)/C=C\c1ccc(I)o1 ZINC000921208106 664539243 /nfs/dbraw/zinc/53/92/43/664539243.db2.gz READDLZTQYIILO-UPZNUWHASA-N 1 0 388.249 2.840 20 0 GFADRO Brc1c[nH]c(C[NH2+]CC2(c3ccc4c(c3)OCO4)CCOCC2)n1 ZINC000921592982 664556672 /nfs/dbraw/zinc/55/66/72/664556672.db2.gz JBIDQWYJPOOAED-UHFFFAOYSA-N 1 0 394.269 2.739 20 0 GFADRO C[C@H](NCc1nc(Br)c[nH]1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000921690255 664560763 /nfs/dbraw/zinc/56/07/63/664560763.db2.gz OQYVEZRSYWXKOK-LBPRGKRZSA-N 1 0 396.308 2.914 20 0 GFADRO CCn1c(C[NH2+]C[C@](C)(O)C2CC2)nc(Br)c1Br ZINC000921730240 664564916 /nfs/dbraw/zinc/56/49/16/664564916.db2.gz WXJQNZDKXJZBJT-LBPRGKRZSA-N 1 0 381.112 2.679 20 0 GFADRO CC[C@H](C)[C@@H](O)C[NH2+]Cc1nc(Br)c(Br)n1CC ZINC000921731069 664565132 /nfs/dbraw/zinc/56/51/32/664565132.db2.gz AWECVUVRQIPFKV-IUCAKERBSA-N 1 0 383.128 2.925 20 0 GFADRO CCn1c(C[NH2+]C[C@H]2CCC[C@H]2O)nc(Br)c1Br ZINC000921791324 664568769 /nfs/dbraw/zinc/56/87/69/664568769.db2.gz BNXLKOJCZBPGHP-RKDXNWHRSA-N 1 0 381.112 2.679 20 0 GFADRO CCn1c(C[NH2+][C@@H](CCO)C(C)C)nc(Br)c1Br ZINC000921792486 664569068 /nfs/dbraw/zinc/56/90/68/664569068.db2.gz XWNUQIFBBJAWDX-VIFPVBQESA-N 1 0 383.128 2.925 20 0 GFADRO O[C@H](C[NH2+][C@@H]1CC[C@H]2COCC[C@@H]2C1)COc1ccccc1Br ZINC000921856440 664573101 /nfs/dbraw/zinc/57/31/01/664573101.db2.gz KWXNOHCYEAMGJM-QKPAOTATSA-N 1 0 384.314 2.984 20 0 GFADRO CC(C)c1ccc(Cl)c(S(=O)(=O)NC[C@@H]2CC[N@@H+]2C2CCOCC2)c1 ZINC000921912291 664576007 /nfs/dbraw/zinc/57/60/07/664576007.db2.gz XUBQEJMSPQXUSZ-INIZCTEOSA-N 1 0 386.945 2.995 20 0 GFADRO O=C(Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1)c1cc(Br)[nH]n1 ZINC000921962437 664578796 /nfs/dbraw/zinc/57/87/96/664578796.db2.gz YUECYPDYPMNFLT-AWEZNQCLSA-N 1 0 390.285 2.709 20 0 GFADRO CCn1c(C[NH2+]C[C@H](C)CCCO)nc(Br)c1Br ZINC000922153221 664588037 /nfs/dbraw/zinc/58/80/37/664588037.db2.gz LXOGXJQYUAIFAR-SECBINFHSA-N 1 0 383.128 2.926 20 0 GFADRO CCn1c(C[NH2+]C[C@@H](O)C2CCC2)nc(Br)c1Br ZINC000922168230 664588611 /nfs/dbraw/zinc/58/86/11/664588611.db2.gz MGZDENVVPRINNK-SECBINFHSA-N 1 0 381.112 2.679 20 0 GFADRO O=C(NCC[NH+]1CCCC1)c1ccc(NCc2nc(Br)c[nH]2)cc1 ZINC000922174927 664588930 /nfs/dbraw/zinc/58/89/30/664588930.db2.gz INNXLUIAIYDKOL-UHFFFAOYSA-N 1 0 392.301 2.610 20 0 GFADRO Cc1cc(C[NH2+][C@@H](CO)[C@@H]2CCCOC2)c(C)cc1I ZINC000922187145 664589603 /nfs/dbraw/zinc/58/96/03/664589603.db2.gz ZLDRURCXMGIUNY-CJNGLKHVSA-N 1 0 389.277 2.785 20 0 GFADRO C[C@H](NC(=O)NCc1cc(N(C)C)cc[nH+]1)c1ccc(Br)cn1 ZINC000922289932 664593360 /nfs/dbraw/zinc/59/33/60/664593360.db2.gz NBPJPWGNTUPJND-NSHDSACASA-N 1 0 378.274 2.866 20 0 GFADRO CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NCc3ncc(Br)s3)C2)[C@H]1C(C)C ZINC000922392721 664599148 /nfs/dbraw/zinc/59/91/48/664599148.db2.gz GQGKDUIGZQZEMZ-CZPYZCIJSA-N 1 0 388.375 2.865 20 0 GFADRO Cc1cc(Br)cc(C[NH2+][C@H]2CCC(=O)N(C)[C@@H]2c2ccnn2C)c1 ZINC000922407044 664600046 /nfs/dbraw/zinc/60/00/46/664600046.db2.gz WGTXYKCVPYPOFF-YJBOKZPZSA-N 1 0 391.313 2.943 20 0 GFADRO Cc1nnc([C@@H]2OCC[C@@H]2C[NH2+]Cc2cccc(I)c2)[nH]1 ZINC000922407816 664600388 /nfs/dbraw/zinc/60/03/88/664600388.db2.gz RNYBAOWVEOLXMI-TZMCWYRMSA-N 1 0 398.248 2.585 20 0 GFADRO CC1([NH+]2CCC2)CCC(NC(=O)NCCCn2cc(Br)cn2)CC1 ZINC000922498410 664604302 /nfs/dbraw/zinc/60/43/02/664604302.db2.gz VIFQQCCBZDSLSM-UHFFFAOYSA-N 1 0 398.349 2.742 20 0 GFADRO CC(C)(C)OC(=O)N[C@H](C[NH2+][C@@H]1CCCN2CCSC[C@@H]12)CC(F)F ZINC000922527522 664605747 /nfs/dbraw/zinc/60/57/47/664605747.db2.gz WRTBTIPOWFICCT-MJBXVCDLSA-N 1 0 379.517 2.704 20 0 GFADRO CSC1(CNC(=O)N2CCC[C@@H](Cc3nccs3)C2)CC[NH+](C)CC1 ZINC000922530414 664605999 /nfs/dbraw/zinc/60/59/99/664605999.db2.gz YGOZQLVCRSOXGV-HNNXBMFYSA-N 1 0 382.599 2.935 20 0 GFADRO Cc1sc(C[NH2+]CC2(O)CCC3(CC2)OCCO3)cc1Br ZINC000922619432 664608537 /nfs/dbraw/zinc/60/85/37/664608537.db2.gz FMCFXHXVGYYUQS-UHFFFAOYSA-N 1 0 376.316 2.957 20 0 GFADRO CO[C@@]1(C[NH2+]C/C(C)=C/c2cccc(C(F)(F)F)c2)CCS(=O)(=O)C1 ZINC000922617616 664608539 /nfs/dbraw/zinc/60/85/39/664608539.db2.gz RNBOLCCOIKWLPS-WDBUWWRISA-N 1 0 377.428 2.902 20 0 GFADRO NS(=O)(=O)c1cc(C[NH2+]C[C@H]2CCC[C@@H](C(F)(F)F)O2)ccc1Cl ZINC000922694578 664610995 /nfs/dbraw/zinc/61/09/95/664610995.db2.gz DEOONVMHJGSARU-MFKMUULPSA-N 1 0 386.823 2.577 20 0 GFADRO O=C(N[C@@H]1CCO[C@H](c2cccs2)C1)N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000922756582 664613654 /nfs/dbraw/zinc/61/36/54/664613654.db2.gz LZYAKZCQKIXKTB-QXSJWSMHSA-N 1 0 381.567 2.847 20 0 GFADRO Cc1nn(-c2ccccc2Br)cc1C[NH2+]CC[C@H]1CNC(=O)C1 ZINC000922778977 664614339 /nfs/dbraw/zinc/61/43/39/664614339.db2.gz NLUVYHHIQWFZQR-CYBMUJFWSA-N 1 0 377.286 2.559 20 0 GFADRO CN(C)C(=O)c1cccc(C[NH2+]CC2(n3cc(Br)cn3)CC2)c1 ZINC000922810496 664615264 /nfs/dbraw/zinc/61/52/64/664615264.db2.gz HTINYMRNIYRGQV-UHFFFAOYSA-N 1 0 377.286 2.626 20 0 GFADRO CC(C)n1ncc(C(=O)N2CCC([NH2+]C3CCOCC3)CC2)c1Br ZINC000922847361 664616352 /nfs/dbraw/zinc/61/63/52/664616352.db2.gz NLIXDVYHNZGCBA-UHFFFAOYSA-N 1 0 399.333 2.600 20 0 GFADRO C[NH+](C)C1CCC(NC(=O)NC2(c3ncc(Br)cn3)CCC2)CC1 ZINC000922936330 664619422 /nfs/dbraw/zinc/61/94/22/664619422.db2.gz ABPRMHKPIZMSHU-UHFFFAOYSA-N 1 0 396.333 2.790 20 0 GFADRO O[C@@H]1C[C@H]([NH2+]Cc2cn(-c3ccc(Cl)c(Cl)c3)nn2)C12CCOCC2 ZINC000923022345 664621387 /nfs/dbraw/zinc/62/13/87/664621387.db2.gz VSACGQKMYIGRLU-JKSUJKDBSA-N 1 0 383.279 2.594 20 0 GFADRO C[C@@H]1CN(C[C@@H](O)COc2ccc(Cl)cc2Br)[C@@H](C)C[NH2+]1 ZINC000923360599 664628900 /nfs/dbraw/zinc/62/89/00/664628900.db2.gz CDARQAKBKFZCIX-NTZNESFSSA-N 1 0 377.710 2.524 20 0 GFADRO O=C(NCc1cnc(Br)cn1)N1CC[NH+](CC2CCCCC2)CC1 ZINC000923529088 664632781 /nfs/dbraw/zinc/63/27/81/664632781.db2.gz KLISCJHCZVCYPQ-UHFFFAOYSA-N 1 0 396.333 2.647 20 0 GFADRO CSc1ccc(S(=O)(=O)N2CCC3(CO[C@@H](C[NH3+])C3)CC2)cc1Cl ZINC000923688109 664635788 /nfs/dbraw/zinc/63/57/88/664635788.db2.gz SVJXCLMLXYDVBL-GFCCVEGCSA-N 1 0 390.958 2.580 20 0 GFADRO O=S(=O)(c1occc1Br)N1CCC([C@@H]2CCC[NH2+]CC2)CC1 ZINC000923703188 664636424 /nfs/dbraw/zinc/63/64/24/664636424.db2.gz QIURPHBRZIDVHF-GFCCVEGCSA-N 1 0 391.331 2.833 20 0 GFADRO C[C@@H](OC(=O)COC1CC[NH+](C)CC1)C(=O)c1ccccc1Br ZINC000923788281 664637945 /nfs/dbraw/zinc/63/79/45/664637945.db2.gz LGQZTHPHMJEQAJ-GFCCVEGCSA-N 1 0 384.270 2.674 20 0 GFADRO C[C@@H]([NH2+][C@H](C)C1CCN(S(C)(=O)=O)CC1)c1ccc(OC(F)F)cc1 ZINC000924599335 664658789 /nfs/dbraw/zinc/65/87/89/664658789.db2.gz HQHALEHVSUASHE-CHWSQXEVSA-N 1 0 376.469 2.999 20 0 GFADRO CN(C)c1cc[nH+]c(CNC(=O)N(C)Cc2cc(Br)cn2C)c1 ZINC000924657756 664659201 /nfs/dbraw/zinc/65/92/01/664659201.db2.gz CEAHNUHCTOOWHD-UHFFFAOYSA-N 1 0 380.290 2.590 20 0 GFADRO C[C@@H](c1nc(C(F)(F)F)cs1)N1C(=O)N[C@@H](C[NH+]2CCCCC2)C1=O ZINC000924851808 664662720 /nfs/dbraw/zinc/66/27/20/664662720.db2.gz GOHURPCBBCZOMI-UWVGGRQHSA-N 1 0 376.404 2.629 20 0 GFADRO Cc1nc2c(o1)CCC[C@H]2[NH2+]CC1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000925041803 664666002 /nfs/dbraw/zinc/66/60/02/664666002.db2.gz YVNZGPKNHPCQTO-GFCCVEGCSA-N 1 0 381.420 2.512 20 0 GFADRO O=C(N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12)N1CCC(Cc2nccs2)CC1 ZINC000925172285 664668085 /nfs/dbraw/zinc/66/80/85/664668085.db2.gz SETBAPIAPKZLNO-CVEARBPZSA-N 1 0 380.583 2.687 20 0 GFADRO CON1CCC([NH2+][C@@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)CC1 ZINC000925260744 664669386 /nfs/dbraw/zinc/66/93/86/664669386.db2.gz QMCKKLHOBVVTCW-CYBMUJFWSA-N 1 0 378.826 2.948 20 0 GFADRO COc1cc(Br)c(C[NH2+][C@H]2CCOC23CCOCC3)cc1OC ZINC000925361210 664671087 /nfs/dbraw/zinc/67/10/87/664671087.db2.gz CVTAXXOCGHRAEC-INIZCTEOSA-N 1 0 386.286 2.894 20 0 GFADRO O=C1[C@@H]([NH2+][C@@H]2CCCc3ncc(Br)cc32)CCN1CC(F)(F)F ZINC000925390730 664671573 /nfs/dbraw/zinc/67/15/73/664671573.db2.gz SOGJPPPBFZIAPM-OLZOCXBDSA-N 1 0 392.219 2.974 20 0 GFADRO C[C@H](C[NH2+][C@H]1C(=O)NCC12CCOCC2)Sc1ccc(Br)cc1 ZINC000925391343 664671636 /nfs/dbraw/zinc/67/16/36/664671636.db2.gz VOOZXBHKBAIVTM-DOMZBBRYSA-N 1 0 399.354 2.815 20 0 GFADRO C[C@H]([NH2+]Cc1c(F)cccc1OC(F)F)C1CCN(S(C)(=O)=O)CC1 ZINC000925491190 664672646 /nfs/dbraw/zinc/67/26/46/664672646.db2.gz IUORZLWKVXVAOM-NSHDSACASA-N 1 0 380.432 2.577 20 0 GFADRO O=C1[C@@H]([NH2+][C@@H]2CCCc3ncc(Br)cc32)CCN1C1CCOCC1 ZINC000925489460 664672652 /nfs/dbraw/zinc/67/26/52/664672652.db2.gz ZAGSZSXXYOVWFQ-SJORKVTESA-N 1 0 394.313 2.591 20 0 GFADRO O=C1[C@H]([NH2+][C@@H]2CCCc3ncc(Br)cc32)CCN1C1CCOCC1 ZINC000925489458 664672661 /nfs/dbraw/zinc/67/26/61/664672661.db2.gz ZAGSZSXXYOVWFQ-IAGOWNOFSA-N 1 0 394.313 2.591 20 0 GFADRO COCc1nc2n(n1)C[C@@H]([NH2+][C@H]1CCCc3ncc(Br)cc31)CC2 ZINC000925516928 664672869 /nfs/dbraw/zinc/67/28/69/664672869.db2.gz JYLGOSSEFMDHOL-WFASDCNBSA-N 1 0 392.301 2.564 20 0 GFADRO C[C@@H]([NH2+]Cc1ccc(Br)cc1N1CCOCC1)c1ccnnc1 ZINC000925567931 664673148 /nfs/dbraw/zinc/67/31/48/664673148.db2.gz RVDRHOGGQNUXRU-CYBMUJFWSA-N 1 0 377.286 2.927 20 0 GFADRO CN(CC[NH2+][C@H]1CCC[C@H]1Cc1ccccn1)S(=O)(=O)c1cccs1 ZINC000925577499 664673294 /nfs/dbraw/zinc/67/32/94/664673294.db2.gz SHUSKIAAGLHLTQ-RDJZCZTQSA-N 1 0 379.551 2.765 20 0 GFADRO Cc1ccc([C@H]([NH2+]CC2(CO)COC2)c2cncc(Br)c2)cc1 ZINC000925586526 664673451 /nfs/dbraw/zinc/67/34/51/664673451.db2.gz SXZSMUDWNWXRIX-KRWDZBQOSA-N 1 0 377.282 2.840 20 0 GFADRO CS(=O)(=O)N1CC[C@H](C[NH2+][C@H](c2ccc(Cl)cc2)c2ccccn2)C1 ZINC000925622400 664673585 /nfs/dbraw/zinc/67/35/85/664673585.db2.gz LCGQTZQDRVNSIF-RDTXWAMCSA-N 1 0 379.913 2.696 20 0 GFADRO [NH3+]C[C@H]1CC2(CO1)CCN(C(=O)Nc1nnc(-c3ccsc3)s1)CC2 ZINC000925973659 664678511 /nfs/dbraw/zinc/67/85/11/664678511.db2.gz SIJNNGCXDXGLPU-GFCCVEGCSA-N 1 0 379.511 2.628 20 0 GFADRO [NH3+][C@@H]1CC[C@H](CNC(=O)Nc2cnc(Br)c(Br)c2)C1 ZINC000926061316 664680286 /nfs/dbraw/zinc/68/02/86/664680286.db2.gz NUYNHOKVLNGUAG-JGVFFNPUSA-N 1 0 392.095 2.856 20 0 GFADRO C[C@@H]1C[NH2+]C[C@H]1NC(=O)Nc1cccc(Oc2ncc(Br)cn2)c1 ZINC000926071522 664680665 /nfs/dbraw/zinc/68/06/65/664680665.db2.gz SUJZJDWIZGTYEC-QMTHXVAHSA-N 1 0 392.257 2.761 20 0 GFADRO Cc1cc(Br)c2ccccc2c1NC(=O)N1CCNCC[NH2+]CC1 ZINC000926072018 664680876 /nfs/dbraw/zinc/68/08/76/664680876.db2.gz QVGCQKWIAQCTRW-UHFFFAOYSA-N 1 0 391.313 2.937 20 0 GFADRO COc1ccc(NC(=O)N2CC[C@@H](CC[NH3+])C2)c(I)c1 ZINC000926106297 664681856 /nfs/dbraw/zinc/68/18/56/664681856.db2.gz AYEXTJYYBZCGEY-SNVBAGLBSA-N 1 0 389.237 2.502 20 0 GFADRO COC(=O)c1cc(NC(=O)N2CC[C@H](C[NH3+])[C@@H](C)C2)c(C)cc1Br ZINC000926114626 664682063 /nfs/dbraw/zinc/68/20/63/664682063.db2.gz FKJSRTHHYMKDCG-NWDGAFQWSA-N 1 0 398.301 2.993 20 0 GFADRO Cc1cnc(Br)c(NC(=O)N2CCC3(CO[C@H](C[NH3+])C3)CC2)c1 ZINC000926122472 664682249 /nfs/dbraw/zinc/68/22/49/664682249.db2.gz GRJOLPLSZMIJDQ-LBPRGKRZSA-N 1 0 383.290 2.514 20 0 GFADRO CCSc1cccc(Br)c1NC(=O)N1CCC[C@@]([NH3+])(CO)C1 ZINC000926126505 664682360 /nfs/dbraw/zinc/68/23/60/664682360.db2.gz CVCMUUDIXTXOON-HNNXBMFYSA-N 1 0 388.331 2.879 20 0 GFADRO [NH3+][C@@H]1CN(C(=O)Nc2nc(CC(F)(F)F)cs2)CC[C@@H]1C(F)(F)F ZINC000926133062 664682473 /nfs/dbraw/zinc/68/24/73/664682473.db2.gz WDFUKTGKKSBWFQ-JGVFFNPUSA-N 1 0 376.326 2.991 20 0 GFADRO CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)c1c(F)cccc1Br)C2 ZINC000926166131 664683449 /nfs/dbraw/zinc/68/34/49/664683449.db2.gz HBAUKDMTDNJXOA-SZXPJGKVSA-N 1 0 399.304 2.798 20 0 GFADRO [NH3+]CC[C@@H](NC(=O)N1CCC[C@H](c2nc3c(s2)CCC3)C1)C(F)(F)F ZINC000926171413 664683796 /nfs/dbraw/zinc/68/37/96/664683796.db2.gz VKIBGPPCLPDMAH-GXFFZTMASA-N 1 0 376.448 2.801 20 0 GFADRO C[NH2+]CCN(C(=O)Nc1ccc(I)cc1F)C(C)C ZINC000926175504 664683974 /nfs/dbraw/zinc/68/39/74/664683974.db2.gz XXCXHOYNPUBHEB-UHFFFAOYSA-N 1 0 379.217 2.892 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)N[C@@H](c2ccc(Cl)cc2Cl)C(F)(F)F)CCO1 ZINC000926201995 664684726 /nfs/dbraw/zinc/68/47/26/664684726.db2.gz AOQAPUXIZYELGG-CABZTGNLSA-N 1 0 386.201 2.966 20 0 GFADRO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NC(=O)c3cc(Br)oc3C)C2)[C@H]1C(C)C ZINC000926235503 664684936 /nfs/dbraw/zinc/68/49/36/664684936.db2.gz VUEPWYRHDLWWJK-SZXPJGKVSA-N 1 0 399.329 2.950 20 0 GFADRO COc1cc(Br)cc(CNC(=O)N2CCC(C[NH+](C)C)CC2)c1 ZINC000926281993 664686052 /nfs/dbraw/zinc/68/60/52/664686052.db2.gz UTVVJHGFSFRPOX-UHFFFAOYSA-N 1 0 384.318 2.941 20 0 GFADRO OC[C@H](C[NH2+][C@@H]1CCOC12CCOCC2)Cc1ccccc1Br ZINC000926283143 664686221 /nfs/dbraw/zinc/68/62/21/664686221.db2.gz FXDNEWUGLQQRCY-WMLDXEAASA-N 1 0 384.314 2.528 20 0 GFADRO CCn1nc(C)c([C@H](C)[NH2+]C[C@H](CO)Cc2ccccc2Br)n1 ZINC000926285850 664686271 /nfs/dbraw/zinc/68/62/71/664686271.db2.gz WRMAVSQJXGOOIJ-GXTWGEPZSA-N 1 0 381.318 2.871 20 0 GFADRO CCn1nc(C)c([C@H](C)[NH2+]C[C@@H](CO)Cc2ccccc2Br)n1 ZINC000926285851 664686378 /nfs/dbraw/zinc/68/63/78/664686378.db2.gz WRMAVSQJXGOOIJ-JSGCOSHPSA-N 1 0 381.318 2.871 20 0 GFADRO CC(C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)N1CC[C@@H](CC[NH3+])C1 ZINC000926315592 664687679 /nfs/dbraw/zinc/68/76/79/664687679.db2.gz ICYDEXIOLYLOIZ-CYBMUJFWSA-N 1 0 386.323 2.928 20 0 GFADRO CC(=O)N[C@H](c1ccccc1F)[C@@H](C)[NH2+]CCn1cc(Br)cn1 ZINC000926415421 664689726 /nfs/dbraw/zinc/68/97/26/664689726.db2.gz SNXBULAFMOJGID-BZNIZROVSA-N 1 0 383.265 2.640 20 0 GFADRO Cc1ccc([C@@H](Cc2ccccc2Cl)[NH2+]C[C@@]2(O)CCS(=O)(=O)C2)o1 ZINC000926508040 664691027 /nfs/dbraw/zinc/69/10/27/664691027.db2.gz OLGZZJPWWLXFOT-AEFFLSMTSA-N 1 0 383.897 2.664 20 0 GFADRO COc1ccc(C[C@@H](CO)C[NH2+][C@H](C)c2ccnnc2)cc1Br ZINC000926543115 664692019 /nfs/dbraw/zinc/69/20/19/664692019.db2.gz VJOOVWKXPASVGI-TZMCWYRMSA-N 1 0 380.286 2.750 20 0 GFADRO O[C@@H](C[NH2+][C@@H](Cc1ccccc1Br)c1ccoc1)Cn1ccnn1 ZINC000926573660 664692597 /nfs/dbraw/zinc/69/25/97/664692597.db2.gz OONXFYLYAFGJRX-RDJZCZTQSA-N 1 0 391.269 2.568 20 0 GFADRO CC(C)(C)OC(=O)N[C@@H]1C[C@@H]([NH2+]CCCCS(C)(=O)=O)CC(C)(C)C1 ZINC000926614275 664694000 /nfs/dbraw/zinc/69/40/00/664694000.db2.gz KRBCDXDMMLJJPZ-HUUCEWRRSA-N 1 0 376.563 2.873 20 0 GFADRO CNC(=O)[C@H](C[NH2+][C@@H](C)C1(Br)CC1)Cc1ccc(OC)c(F)c1 ZINC000926629411 664694123 /nfs/dbraw/zinc/69/41/23/664694123.db2.gz XCMRPBBNRMBQNC-AAEUAGOBSA-N 1 0 387.293 2.645 20 0 GFADRO C[C@H]([NH2+]Cc1cc(C(F)(F)F)cc(Cl)n1)C1CCN(S(C)(=O)=O)CC1 ZINC000926829730 664697400 /nfs/dbraw/zinc/69/74/00/664697400.db2.gz PUVCVZAMCIMLER-JTQLQIEISA-N 1 0 399.866 2.904 20 0 GFADRO C[C@@H]([NH2+]CCc1sccc1Br)C1CCN(S(C)(=O)=O)CC1 ZINC000926855812 664697987 /nfs/dbraw/zinc/69/79/87/664697987.db2.gz XIYKWGSNOQLKFM-LLVKDONJSA-N 1 0 395.388 2.703 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCC(=O)N(C)[C@H]1c1ccnn1C)c1cccc(Br)n1 ZINC000926879080 664698428 /nfs/dbraw/zinc/69/84/28/664698428.db2.gz IEBBUYQAGWJJKN-XTQGRXLLSA-N 1 0 392.301 2.590 20 0 GFADRO O=C1CC[C@@H]([NH2+][C@H]2CCCc3ncc(Br)cc32)[C@H]([C@@H]2CCCO2)N1 ZINC000926881375 664698458 /nfs/dbraw/zinc/69/84/58/664698458.db2.gz UHXCIWFLMBEAPR-UIBIWLFHSA-N 1 0 394.313 2.637 20 0 GFADRO C[C@@H]([NH2+]CC[C@@H]1CNC(=O)C1)c1ccc(F)c(I)c1 ZINC000926981651 664701177 /nfs/dbraw/zinc/70/11/77/664701177.db2.gz XFJBXISPIWQSEY-ZJUUUORDSA-N 1 0 376.213 2.607 20 0 GFADRO Cn1cc(C[C@H]2CCC[C@H]2[NH2+]CC2(n3cc(Br)cn3)CC2)cn1 ZINC000927006227 664702040 /nfs/dbraw/zinc/70/20/40/664702040.db2.gz QEQHMJUXNLTUTF-GDBMZVCRSA-N 1 0 378.318 2.869 20 0 GFADRO COc1ccc(S(=O)(=O)N2CCC([NH2+][C@@H]3CCS[C@H](C)C3)CC2)cc1 ZINC000927029287 664702581 /nfs/dbraw/zinc/70/25/81/664702581.db2.gz CJVWPHVSHHZHAK-GDBMZVCRSA-N 1 0 384.567 2.722 20 0 GFADRO Cn1nnc2c1C[C@H]([NH2+][C@@H](c1ccc(Br)cc1)c1cncnc1)CC2 ZINC000927141410 664705100 /nfs/dbraw/zinc/70/51/00/664705100.db2.gz AHVQLUFJYLBSRJ-QAPCUYQASA-N 1 0 399.296 2.604 20 0 GFADRO Cn1nnc2c1C[C@H]([NH2+][C@H](c1ccc(Br)cc1)c1cncnc1)CC2 ZINC000927141405 664705150 /nfs/dbraw/zinc/70/51/50/664705150.db2.gz AHVQLUFJYLBSRJ-CRAIPNDOSA-N 1 0 399.296 2.604 20 0 GFADRO Cn1nnc2c1C[C@H]([NH2+][C@@H]1CCc3ccc(I)cc31)CC2 ZINC000927143647 664705158 /nfs/dbraw/zinc/70/51/58/664705158.db2.gz OXSSRFFYQRVFMD-TZMCWYRMSA-N 1 0 394.260 2.554 20 0 GFADRO CC[NH+](CC)Cc1ccc(C(=O)NCc2cn(C)nc2Br)cc1 ZINC000927629935 664712468 /nfs/dbraw/zinc/71/24/68/664712468.db2.gz HOOZDCYFJBQDGW-UHFFFAOYSA-N 1 0 379.302 2.954 20 0 GFADRO O=C(NC[C@H]1CC[N@@H+]1C1CCOCC1)N1Cc2ccc(Br)cc2C1 ZINC000927632557 664712829 /nfs/dbraw/zinc/71/28/29/664712829.db2.gz GXIUNVZIIOUJEP-QGZVFWFLSA-N 1 0 394.313 2.728 20 0 GFADRO [NH3+]CC[C@@H]1CCN(C(=O)C(=O)Nc2cc(Br)c3ccccc3c2)C1 ZINC000927888516 664717312 /nfs/dbraw/zinc/71/73/12/664717312.db2.gz ASIFZJFDWNDGMW-GFCCVEGCSA-N 1 0 390.281 2.738 20 0 GFADRO O=C(Nc1nc(-c2cccs2)cs1)C(=O)N1CC[C@]2(C1)CCCC[NH2+]2 ZINC000927925577 664717858 /nfs/dbraw/zinc/71/78/58/664717858.db2.gz SWGLTOXOWYCEHA-KRWDZBQOSA-N 1 0 376.507 2.555 20 0 GFADRO Cc1cc(Br)c(Cl)cc1NC(=O)C(=O)NC[C@@H]1CC[C@H]([NH3+])C1 ZINC000927929272 664717916 /nfs/dbraw/zinc/71/79/16/664717916.db2.gz NIHLQYPHKCMMFB-ZJUUUORDSA-N 1 0 388.693 2.593 20 0 GFADRO C[NH+](C)CCn1ccc(C(=O)N2CCc3ccc(Br)c(F)c3C2)n1 ZINC000928014028 664719843 /nfs/dbraw/zinc/71/98/43/664719843.db2.gz BSSOGELLVOLPCP-UHFFFAOYSA-N 1 0 395.276 2.545 20 0 GFADRO CC[NH+]1CCN(CCC(=O)N2CCc3ccc(Br)c(F)c3C2)CC1 ZINC000928018105 664720395 /nfs/dbraw/zinc/72/03/95/664720395.db2.gz YNTUCMJQMVBMRJ-UHFFFAOYSA-N 1 0 398.320 2.501 20 0 GFADRO C[NH+](C)CCn1cc(C(=O)N2CCC[C@H]2c2cncc(Br)c2)cn1 ZINC000928354157 664728523 /nfs/dbraw/zinc/72/85/23/664728523.db2.gz OCJZYIZDACIREE-INIZCTEOSA-N 1 0 392.301 2.580 20 0 GFADRO C[C@H]1[C@@H](NC(=O)c2cc(Br)nn2-c2ncccc2Cl)CC[N@@H+]1C ZINC000928428485 664732389 /nfs/dbraw/zinc/73/23/89/664732389.db2.gz RPQNUKJYIQOPDD-ONGXEEELSA-N 1 0 398.692 2.506 20 0 GFADRO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)N[C@H]1CC[N@H+](C)[C@@H]1C ZINC000928444383 664732616 /nfs/dbraw/zinc/73/26/16/664732616.db2.gz YVKAJWFGXMQQME-MFKMUULPSA-N 1 0 379.254 2.686 20 0 GFADRO C[C@@H]1[C@H](NC(=O)CCC[S@@](=O)c2ccc(Br)cc2)CC[N@@H+]1C ZINC000928449090 664732826 /nfs/dbraw/zinc/73/28/26/664732826.db2.gz PQFKJXCTWGVOQO-AVKZDSLQSA-N 1 0 387.343 2.546 20 0 GFADRO C[NH+](C)CC[C@@H](NC(=O)[C@H](O)c1cccc(Br)c1)c1cccnc1 ZINC000928828609 664740524 /nfs/dbraw/zinc/74/05/24/664740524.db2.gz SCVPYIMJXINNHG-IAGOWNOFSA-N 1 0 392.297 2.687 20 0 GFADRO C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)C[C@H]1CCC[C@H](C(F)(F)F)O1 ZINC000929227412 664748563 /nfs/dbraw/zinc/74/85/63/664748563.db2.gz FTGXWJKAMZVHBK-UXIGCNINSA-N 1 0 380.432 2.827 20 0 GFADRO C[NH+](C)C(C)(C)CNC(=O)c1cc(Br)cnc1Br ZINC000929349699 664750883 /nfs/dbraw/zinc/75/08/83/664750883.db2.gz FPQTUJVUHNCTNS-UHFFFAOYSA-N 1 0 379.096 2.677 20 0 GFADRO CC[NH+](CC)[C@H](CNC(=O)C(=O)N[C@H]1CCS[C@H](C)C1)c1ccsc1 ZINC000929396131 664751729 /nfs/dbraw/zinc/75/17/29/664751729.db2.gz NBEWNXJQMMUQHP-VNQPRFMTSA-N 1 0 383.583 2.648 20 0 GFADRO CC[NH+]1CCC(NC(=O)[C@@H](C)c2ccc(I)cc2)CC1 ZINC000929459079 664752664 /nfs/dbraw/zinc/75/26/64/664752664.db2.gz GODYOKDXGGEMQZ-LBPRGKRZSA-N 1 0 386.277 2.995 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CNC(=O)c1cnn(Cc2ccccc2)c1Br ZINC000929461121 664752822 /nfs/dbraw/zinc/75/28/22/664752822.db2.gz BJVQZUNMPITVBU-HNNXBMFYSA-N 1 0 391.313 2.908 20 0 GFADRO O=C(NC1CC[NH+](C2CC2)CC1)c1cnnn1-c1cccc(Cl)c1Cl ZINC000929617536 664754918 /nfs/dbraw/zinc/75/49/18/664754918.db2.gz APAGLKXXETVJOK-UHFFFAOYSA-N 1 0 380.279 2.931 20 0 GFADRO COC(=O)c1cc(Br)c(CN2CC[C@H](C[NH+](C)C)C2)cc1OC ZINC000929637511 664755472 /nfs/dbraw/zinc/75/54/72/664755472.db2.gz KFGVWPYWBNIQFS-GFCCVEGCSA-N 1 0 385.302 2.628 20 0 GFADRO Brc1cccc(C2([NH2+]C[C@@H]3C[C@@H]4COC[C@H]4O3)CCOCC2)c1 ZINC000929895701 664759296 /nfs/dbraw/zinc/75/92/96/664759296.db2.gz SXULCZPNLOBWMZ-XOKHGSTOSA-N 1 0 382.298 2.848 20 0 GFADRO COc1cc(Br)c(NC(=O)N2CC[C@H]3C[N@H+](C)C[C@@H]32)cc1OC ZINC000929915385 664759724 /nfs/dbraw/zinc/75/97/24/664759724.db2.gz GYYMVVFBMVHNRR-GWCFXTLKSA-N 1 0 384.274 2.634 20 0 GFADRO COC(=O)c1ccc(Br)c(C[NH+]2CCC(CCC(N)=O)CC2)c1 ZINC000930159783 664763668 /nfs/dbraw/zinc/76/36/68/664763668.db2.gz XHUIQMIZTGYERN-UHFFFAOYSA-N 1 0 383.286 2.713 20 0 GFADRO COC(=O)c1cncc(C[NH2+]C(C)(C)COc2ncccc2Br)c1 ZINC000930165742 664763757 /nfs/dbraw/zinc/76/37/57/664763757.db2.gz CFHUQZMFUALUFY-UHFFFAOYSA-N 1 0 394.269 2.973 20 0 GFADRO O[C@H](C[NH2+][C@H](c1ccc(Br)cc1)C1CCC1)C[C@]1(O)CCOC1 ZINC000930209923 664764599 /nfs/dbraw/zinc/76/45/99/664764599.db2.gz DMMPMUSMFLTCHL-OKZBNKHCSA-N 1 0 384.314 2.782 20 0 GFADRO C[C@H]([NH2+]CCOC1CCSCC1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000930208376 664764612 /nfs/dbraw/zinc/76/46/12/664764612.db2.gz OMBISTHPMYJNGS-HNNXBMFYSA-N 1 0 384.567 2.789 20 0 GFADRO Cc1[nH]nc(Br)c1C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000930213460 664764671 /nfs/dbraw/zinc/76/46/71/664764671.db2.gz IIOTXEVSRFGVAB-UHFFFAOYSA-N 1 0 387.347 2.572 20 0 GFADRO CCSc1c[nH]c(=O)c(C(=O)NCC2([NH+]3CCSCC3)CCCC2)c1 ZINC000930212807 664764744 /nfs/dbraw/zinc/76/47/44/664764744.db2.gz DHZGWFJKBIOSCJ-UHFFFAOYSA-N 1 0 381.567 2.991 20 0 GFADRO COC(=O)c1cc(Br)c(C[N@@H+]2CCC[C@@](C)(O)CC2)cc1OC ZINC000930278262 664765906 /nfs/dbraw/zinc/76/59/06/664765906.db2.gz JHJNBCPCGKABPV-QGZVFWFLSA-N 1 0 386.286 2.981 20 0 GFADRO Cn1cc(Br)cc(NC(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)c1=O ZINC000930296385 664766238 /nfs/dbraw/zinc/76/62/38/664766238.db2.gz SVUDSQXSTWKFLL-ZDUSSCGKSA-N 1 0 397.317 2.676 20 0 GFADRO Cc1cc([C@@H]2CCC[N@@H+]2C[C@H](O)C[C@@]2(O)CCOC2)ccc1Br ZINC000930303564 664766472 /nfs/dbraw/zinc/76/64/72/664766472.db2.gz CFSXECSJLORHNJ-NJAFHUGGSA-N 1 0 384.314 2.797 20 0 GFADRO OC[C@H]([NH2+]CCO[C@@H]1CCOC1)c1ccc(Br)cc1C(F)(F)F ZINC000930302728 664766479 /nfs/dbraw/zinc/76/64/79/664766479.db2.gz QHIUDHOKHYSETC-RISCZKNCSA-N 1 0 398.219 2.896 20 0 GFADRO CS(=O)(=O)[C@@H]1CC[N@H+](CCCCOc2ccc(Br)cc2)C1 ZINC000930339127 664767557 /nfs/dbraw/zinc/76/75/57/664767557.db2.gz SVXJSPURHYCHQZ-OAHLLOKOSA-N 1 0 376.316 2.727 20 0 GFADRO CC(C)[N@H+](C)CC1CCN(C(=O)C2(n3cc(Br)cn3)CC2)CC1 ZINC000930709567 664776828 /nfs/dbraw/zinc/77/68/28/664776828.db2.gz HHMDFEURZSUKLD-UHFFFAOYSA-N 1 0 383.334 2.714 20 0 GFADRO CN(C(=O)Nc1cc(Br)cnc1-n1cccn1)[C@@H]1CCC[N@H+](C)C1 ZINC000930805130 664778738 /nfs/dbraw/zinc/77/87/38/664778738.db2.gz AJWHKMWRSGZSTP-CYBMUJFWSA-N 1 0 393.289 2.588 20 0 GFADRO C[C@H]([NH2+]Cc1ccc(Br)nc1N)c1ccc(N2CCNC2=O)cc1 ZINC000930814207 664778865 /nfs/dbraw/zinc/77/88/65/664778865.db2.gz LRGOYKOVMBRITB-NSHDSACASA-N 1 0 390.285 2.807 20 0 GFADRO C[C@@H]1CC[C@H](C(N)=O)[C@@H](C)[N@@H+]1Cc1nnc(-c2ccc(Br)o2)o1 ZINC000930917375 664780899 /nfs/dbraw/zinc/78/08/99/664780899.db2.gz WCEUETDLINGKME-BBBLOLIVSA-N 1 0 383.246 2.566 20 0 GFADRO CCO[C@H](CNC(=O)Nc1cc(Br)c(F)cc1F)C[NH+](C)C ZINC000931028957 664783675 /nfs/dbraw/zinc/78/36/75/664783675.db2.gz JFJHRAGRQCBNBX-SECBINFHSA-N 1 0 380.233 2.816 20 0 GFADRO C[NH+](C)CCOc1cccc(NC(=O)C2(n3cc(Br)cn3)CC2)c1 ZINC000931264322 664789841 /nfs/dbraw/zinc/78/98/41/664789841.db2.gz FOSMKCGNJDJAEW-UHFFFAOYSA-N 1 0 393.285 2.714 20 0 GFADRO C[C@H]1C[C@@H](c2ccc(Br)cc2)C[N@@H+]1CC1CN(S(C)(=O)=O)C1 ZINC000931265159 664789852 /nfs/dbraw/zinc/78/98/52/664789852.db2.gz FPHLQANGGJWPSA-SWLSCSKDSA-N 1 0 387.343 2.518 20 0 GFADRO C[C@H]1CC[N@H+](CCNC(=O)Nc2ccc3nccnc3c2Br)C1 ZINC000931390060 664793501 /nfs/dbraw/zinc/79/35/01/664793501.db2.gz OUGVWORPRHZPML-NSHDSACASA-N 1 0 378.274 2.856 20 0 GFADRO COC(=O)c1cc(NC(=O)N2CC[C@@H]3C[N@H+](C)C[C@H]32)c(C)cc1Br ZINC000931405732 664794086 /nfs/dbraw/zinc/79/40/86/664794086.db2.gz FVKVDVHRZOBHRB-IAQYHMDHSA-N 1 0 396.285 2.712 20 0 GFADRO Nc1cc[nH+]c2c1CN(CC(=O)Nc1ccc(Br)cc1F)CC2 ZINC000931514519 664797104 /nfs/dbraw/zinc/79/71/04/664797104.db2.gz UQHGLHDJBLHGHR-UHFFFAOYSA-N 1 0 379.233 2.562 20 0 GFADRO O=C(Nc1nc(CC(F)(F)F)cs1)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000931573099 664799057 /nfs/dbraw/zinc/79/90/57/664799057.db2.gz KBOQVTPUGSSRNC-GHMZBOCLSA-N 1 0 380.461 2.949 20 0 GFADRO Cn1c(C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)cc2cc(Br)cnc21 ZINC000931649918 664801784 /nfs/dbraw/zinc/80/17/84/664801784.db2.gz FFRUSYRVVZRULM-CQSZACIVSA-N 1 0 377.286 2.646 20 0 GFADRO CC1(C)CNC(=O)[C@@H]1[NH2+]CC(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000931659692 664802011 /nfs/dbraw/zinc/80/20/11/664802011.db2.gz ARRJMCUMCBWECI-HOCLYGCPSA-N 1 0 384.307 2.771 20 0 GFADRO O=C(Nc1cccc(Br)c1F)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000931950166 664807767 /nfs/dbraw/zinc/80/77/67/664807767.db2.gz JZWCZHPHDYNVHK-KBPBESRZSA-N 1 0 386.265 2.651 20 0 GFADRO Cn1nc(C(F)(F)F)c(CN2CCC([C@]3(C)COC(=O)N3)CC2)c1Cl ZINC000932098212 664810131 /nfs/dbraw/zinc/81/01/31/664810131.db2.gz IKBGICISTMEXID-AWEZNQCLSA-N 1 0 380.798 2.803 20 0 GFADRO COC(=O)C[C@@H]1CN(Cc2nc3ccc(Br)cc3n2C)C[C@H]1C ZINC000932104248 664810172 /nfs/dbraw/zinc/81/01/72/664810172.db2.gz CNKBNWVCMFCBII-VXGBXAGGSA-N 1 0 380.286 2.967 20 0 GFADRO CN(C)S(=O)(=O)c1ccc(C[N@@H+]2CCC[C@H](Cc3nccs3)C2)cc1 ZINC000932204988 664813163 /nfs/dbraw/zinc/81/31/63/664813163.db2.gz VDZPTVRIDYATMB-MRXNPFEDSA-N 1 0 379.551 2.848 20 0 GFADRO CN(C(=O)c1cc2ccc(Br)cc2c(=O)o1)[C@H]1C[NH+]2CCC1CC2 ZINC000932538888 664824909 /nfs/dbraw/zinc/82/49/09/664824909.db2.gz LAXAZDMATNUSAA-HNNXBMFYSA-N 1 0 391.265 2.722 20 0 GFADRO CN(C(=O)c1cnnn1-c1cccc(Cl)c1Cl)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000932547090 664825167 /nfs/dbraw/zinc/82/51/67/664825167.db2.gz CDKBVRLXEAXMNT-GFCCVEGCSA-N 1 0 380.279 2.883 20 0 GFADRO CN(C(=O)C[C@@H]1C(=O)Nc2c1cccc2Br)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000932547920 664825567 /nfs/dbraw/zinc/82/55/67/664825567.db2.gz VFWGVEDOJMYAFV-JSGCOSHPSA-N 1 0 392.297 2.570 20 0 GFADRO Cc1cc(C(F)(F)C(=O)N2CCC(OCC[NH+](C)C)CC2)cnc1Cl ZINC000932679442 664831670 /nfs/dbraw/zinc/83/16/70/664831670.db2.gz XOKBHLPHVFIXDQ-UHFFFAOYSA-N 1 0 375.847 2.704 20 0 GFADRO C[C@H](CNC(=O)C/C=C\c1ccc(Br)cc1)C[NH+]1CCN(C)CC1 ZINC000932714720 664832708 /nfs/dbraw/zinc/83/27/08/664832708.db2.gz PVUVSHOREHGWFL-MJSXRHKHSA-N 1 0 394.357 2.852 20 0 GFADRO C[C@H](CC[NH+](C)C)NC(=O)c1cnn(Cc2ccccc2)c1Br ZINC000932724844 664833653 /nfs/dbraw/zinc/83/36/53/664833653.db2.gz SNWUJYUUUSLDSG-CYBMUJFWSA-N 1 0 379.302 2.764 20 0 GFADRO C[NH+](C)C[C@H]1CCN(C(=O)c2cc(Br)cnc2Br)C1 ZINC000932795276 664839120 /nfs/dbraw/zinc/83/91/20/664839120.db2.gz JRAIHXQJWFWAJC-SECBINFHSA-N 1 0 391.107 2.630 20 0 GFADRO CO[C@H](C[N@@H+]1CCC[C@](O)(c2ccc(Br)cc2)C1)[C@@H]1CCOC1 ZINC000932815855 664840088 /nfs/dbraw/zinc/84/00/88/664840088.db2.gz RNBCQWXAMPPUGI-ZTFGCOKTSA-N 1 0 384.314 2.784 20 0 GFADRO OCC1(C(F)(F)F)CC[NH+](C[C@H](O)COCc2ccccc2Cl)CC1 ZINC000932823116 664840498 /nfs/dbraw/zinc/84/04/98/664840498.db2.gz KCPMEWRHGDSNIZ-AWEZNQCLSA-N 1 0 381.822 2.854 20 0 GFADRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C[C@@H]1C(=O)Nc2c1cccc2Br ZINC000932908315 664842794 /nfs/dbraw/zinc/84/27/94/664842794.db2.gz REBBQSCORMMHRY-JSGCOSHPSA-N 1 0 394.313 2.675 20 0 GFADRO O=C(C[N@@H+]1CCC[C@H](C2CCOCC2)C1)Nc1ccc(Br)cn1 ZINC000933082559 664849392 /nfs/dbraw/zinc/84/93/92/664849392.db2.gz XAWZIRJBZWTLIY-AWEZNQCLSA-N 1 0 382.302 2.921 20 0 GFADRO Cc1csc(C[C@@H]2CC[N@H+](CCC(=O)Nc3sccc3C(N)=O)C2)n1 ZINC000933123304 664850155 /nfs/dbraw/zinc/85/01/55/664850155.db2.gz MVFGIKNIFFZTPQ-LBPRGKRZSA-N 1 0 378.523 2.505 20 0 GFADRO C[C@](O)(C(=O)N1CC[C@H](C[NH+]2CCCC2)C1)c1ccc(F)c(Br)c1 ZINC000933331523 664859522 /nfs/dbraw/zinc/85/95/22/664859522.db2.gz FHVFUMYXCOUPQR-FZKQIMNGSA-N 1 0 399.304 2.740 20 0 GFADRO C[C@H](NC(=O)C[NH2+][C@]12C[C@H]1COC21CCC1)c1ccc(Br)cc1 ZINC000933393882 664861981 /nfs/dbraw/zinc/86/19/81/664861981.db2.gz LTBDDRNFGRFJEF-XAYKYTGQSA-N 1 0 379.298 2.928 20 0 GFADRO Cc1cc(C[NH2+][C@@H](C)c2ccc(S(N)(=O)=O)cc2)cnc1Br ZINC000933481948 664866335 /nfs/dbraw/zinc/86/63/35/664866335.db2.gz MVURUCGCWXPMHT-NSHDSACASA-N 1 0 384.299 2.651 20 0 GFADRO O=C(CC[N@@H+]1CCOC[C@H]1C[C@H]1CCOC1)Nc1cccc(Br)c1 ZINC000933675562 664872169 /nfs/dbraw/zinc/87/21/69/664872169.db2.gz PNAZMYJROIHCKP-RHSMWYFYSA-N 1 0 397.313 2.905 20 0 GFADRO C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000933743985 664876607 /nfs/dbraw/zinc/87/66/07/664876607.db2.gz RXTUQCYMFHMRES-URLQWDBASA-N 1 0 394.357 2.680 20 0 GFADRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2cc3ccc(Br)cc3c(=O)o2)C1 ZINC000933798343 664878359 /nfs/dbraw/zinc/87/83/59/664878359.db2.gz OLFOAGVAQRYTBC-GFCCVEGCSA-N 1 0 393.281 2.969 20 0 GFADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)C[C@H]2C(=O)Nc3ccc(Br)cc32)C1 ZINC000933799177 664878390 /nfs/dbraw/zinc/87/83/90/664878390.db2.gz WPYDJYDWVAVBJX-SWLSCSKDSA-N 1 0 394.313 2.675 20 0 GFADRO C[N@@H+]1CCN(C(=O)c2cc(Br)cn3ncnc23)C2(CCCCC2)C1 ZINC000933853262 664879410 /nfs/dbraw/zinc/87/94/10/664879410.db2.gz MTZVVAZNRXNKCZ-UHFFFAOYSA-N 1 0 392.301 2.582 20 0 GFADRO CC[N@@H+]1CC[C@H]1CNC(=O)Nc1ccc(OCCOC)c(Br)c1 ZINC000933989212 664885638 /nfs/dbraw/zinc/88/56/38/664885638.db2.gz MCUKSSAAHLEHBS-ZDUSSCGKSA-N 1 0 386.290 2.690 20 0 GFADRO CN1CCN(Cc2cc(Br)cc3cccnc32)CC[N@H+](C)CC1 ZINC000933994732 664886257 /nfs/dbraw/zinc/88/62/57/664886257.db2.gz BJHXXWJZOAKWQF-UHFFFAOYSA-N 1 0 377.330 2.677 20 0 GFADRO OCC[N@@H+]1CCC[C@H]2[C@H]1CCN2Cc1nc2ccc(Br)cc2o1 ZINC000934267881 664896344 /nfs/dbraw/zinc/89/63/44/664896344.db2.gz FNZNYIYPBCTZEM-LSDHHAIUSA-N 1 0 380.286 2.621 20 0 GFADRO C[C@@H]([NH2+][C@@H]1CCOC12CCOCC2)C(=O)Nc1ccc(Br)cc1 ZINC000934403429 664905923 /nfs/dbraw/zinc/90/59/23/664905923.db2.gz GWCDODNXPLBPNE-IUODEOHRSA-N 1 0 383.286 2.704 20 0 GFADRO O[C@H](C[NH2+][C@@H]1CCOC12CCOCC2)COc1c(Cl)cccc1Cl ZINC000934409631 664906204 /nfs/dbraw/zinc/90/62/04/664906204.db2.gz JZYWCKMUDJLKTJ-IUODEOHRSA-N 1 0 376.280 2.661 20 0 GFADRO CS(=O)(=O)N1CC[C@H](C[NH+]2CCC(C(=O)c3ccccc3Cl)CC2)C1 ZINC000934417912 664906786 /nfs/dbraw/zinc/90/67/86/664906786.db2.gz NJCYYQOTRFYFPS-CQSZACIVSA-N 1 0 384.929 2.516 20 0 GFADRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1cc(Br)c2nccnc2c1 ZINC000934579181 664912263 /nfs/dbraw/zinc/91/22/63/664912263.db2.gz WMYKQNMOVXRKQX-BONVTDFDSA-N 1 0 375.270 2.605 20 0 GFADRO O=S1(=O)CCC[C@@]2(C(F)(F)F)CN(CCc3ccc(F)c(F)c3)C[C@H]21 ZINC000934786198 664921683 /nfs/dbraw/zinc/92/16/83/664921683.db2.gz OLZNFPJTDITXTR-HUUCEWRRSA-N 1 0 383.382 2.949 20 0 GFADRO OC[C@H]([NH2+]CCC[C@H]1CCOC1)c1ccccc1I ZINC000934826871 664924709 /nfs/dbraw/zinc/92/47/09/664924709.db2.gz PBVMVAPZPMILNJ-WFASDCNBSA-N 1 0 375.250 2.731 20 0 GFADRO Cn1ncc(I)c1C[N@@H+]1CCCC[C@H]([C@@H]2CCOC2)C1 ZINC000934830914 664926358 /nfs/dbraw/zinc/92/63/58/664926358.db2.gz HDFMDOLZCHGTSZ-QWHCGFSZSA-N 1 0 389.281 2.663 20 0 GFADRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3ccc4c(Br)cnn4c3)CC[C@@H]21 ZINC000934890494 664928523 /nfs/dbraw/zinc/92/85/23/664928523.db2.gz NLZQZTJWPIUIIH-WFASDCNBSA-N 1 0 377.286 2.653 20 0 GFADRO Cn1c(C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)cc2cc(Br)cnc21 ZINC000934951521 664931405 /nfs/dbraw/zinc/93/14/05/664931405.db2.gz OXRKGDRWQXMSAT-WFASDCNBSA-N 1 0 391.313 2.892 20 0 GFADRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)c2cc(Br)cn3ncnc23)C1 ZINC000935002476 664933247 /nfs/dbraw/zinc/93/32/47/664933247.db2.gz UMWRAAINOURFCU-ZDUSSCGKSA-N 1 0 394.317 2.590 20 0 GFADRO CS[C@H]1CN(C(=O)c2cc(Br)c3nccnc3c2)C[C@H]1[NH+](C)C ZINC000935113129 664940383 /nfs/dbraw/zinc/94/03/83/664940383.db2.gz MNQNSTLHCGUWOZ-KGLIPLIRSA-N 1 0 395.326 2.510 20 0 GFADRO C[C@H](NC(=O)C[C@@H]1C(=O)Nc2ccc(Br)cc21)C1=CC[N@H+](C)CC1 ZINC000935311899 664953099 /nfs/dbraw/zinc/95/30/99/664953099.db2.gz FPTQXNHBHFUIFX-NHYWBVRUSA-N 1 0 392.297 2.642 20 0 GFADRO C[NH+](C)[C@H]1CCCN(C(=O)C[C@H]2C(=O)Nc3c2cccc3Br)CC1 ZINC000935650305 664977562 /nfs/dbraw/zinc/97/75/62/664977562.db2.gz XXUQYBOQOCCJFJ-GXTWGEPZSA-N 1 0 394.313 2.818 20 0 GFADRO Cn1c(C(=O)NCC2CC[NH+](C3CC3)CC2)cc2cc(Br)cnc21 ZINC000935681708 664980859 /nfs/dbraw/zinc/98/08/59/664980859.db2.gz XVIGHDHTDXZOLX-UHFFFAOYSA-N 1 0 391.313 2.940 20 0 GFADRO C[NH+]1CCC(OCC(=O)N[C@H](CCO)c2ccc(Cl)c(Cl)c2)CC1 ZINC000935938114 665000041 /nfs/dbraw/zinc/00/00/41/665000041.db2.gz IGTSJWNVDQIYIK-MRXNPFEDSA-N 1 0 375.296 2.644 20 0 GFADRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1nc(Br)c2ccccn21 ZINC000935978295 665002209 /nfs/dbraw/zinc/00/22/09/665002209.db2.gz WGKMQDFHHZUYER-STQMWFEESA-N 1 0 377.286 2.796 20 0 GFADRO Cc1csc(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C3)c1Cl ZINC000996546603 665032669 /nfs/dbraw/zinc/03/26/69/665032669.db2.gz VQMSBFRSWPDNRL-CRWXNKLISA-N 1 0 381.929 2.523 20 0 GFADRO C[N@@H+]1CC[C@@H](CC(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2cscc2Cl)C3)C1 ZINC000997468011 665036202 /nfs/dbraw/zinc/03/62/02/665036202.db2.gz OIROUZCSLRTBKE-VZAMPYOESA-N 1 0 381.929 2.605 20 0 GFADRO C[NH+](C)[C@H](C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(Cl)s1)C2)C1CC1 ZINC001000586291 665047314 /nfs/dbraw/zinc/04/73/14/665047314.db2.gz PDVKLHMMKXPFCV-DVZHBHJUSA-N 1 0 381.929 2.603 20 0 GFADRO C[C@@H]1CC[N@H+](CC(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2csc(Cl)c2)C3)C1 ZINC001002615767 665055898 /nfs/dbraw/zinc/05/58/98/665055898.db2.gz VCGOBQDAYXAMQV-NGFQHRJXSA-N 1 0 381.929 2.605 20 0 GFADRO C[C@H]1CCC[N@@H+]1CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccsc1Cl)C2 ZINC001002619735 665056400 /nfs/dbraw/zinc/05/64/00/665056400.db2.gz ONMJHEGXKWYSLI-MXYBEHONSA-N 1 0 381.929 2.748 20 0 GFADRO Cc1csc(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C3)c1Cl ZINC001002792159 665057432 /nfs/dbraw/zinc/05/74/32/665057432.db2.gz VQMSBFRSWPDNRL-DGAVXFQQSA-N 1 0 381.929 2.523 20 0 GFADRO C[N@@H+]1CC[C@H](CC(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cscc2Cl)C3)C1 ZINC001003446568 665060493 /nfs/dbraw/zinc/06/04/93/665060493.db2.gz OIROUZCSLRTBKE-BHTHQVBYSA-N 1 0 381.929 2.605 20 0 GFADRO C[C@@H]1CCC[N@@H+]1CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cscc1Cl)C2 ZINC001003449542 665060956 /nfs/dbraw/zinc/06/09/56/665060956.db2.gz UHNZAJCIABMGLX-BHTHQVBYSA-N 1 0 381.929 2.748 20 0 GFADRO O=C(N[C@H]1C[C@H]([NH2+]Cc2ccccc2Br)C1)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001020406587 665073185 /nfs/dbraw/zinc/07/31/85/665073185.db2.gz YPJXXLQTPTVTFM-WWXDPWMJSA-N 1 0 391.309 2.609 20 0 GFADRO C[C@H]1C[C@@H](N(C)C(=O)C(=O)Nc2nc(-c3cccs3)cs2)CC[N@@H+]1C ZINC000120482077 677396503 /nfs/dbraw/zinc/39/65/03/677396503.db2.gz WIQORMQPTAWLPH-RYUDHWBXSA-N 1 0 378.523 2.751 20 0 GFADRO COC(=O)c1ccc(Cl)c(S(=O)(=O)NC2CCC(C[NH+](C)C)CC2)c1 ZINC000151723575 677403716 /nfs/dbraw/zinc/40/37/16/677403716.db2.gz APPBKVWVBOJOAN-UHFFFAOYSA-N 1 0 388.917 2.525 20 0 GFADRO Cn1ncc(C(=O)NC[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)c1Br ZINC000397988427 677411993 /nfs/dbraw/zinc/41/19/93/677411993.db2.gz LGJHXVXKKKVNPL-GOSISDBHSA-N 1 0 391.313 2.967 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1CCCNS(=O)(=O)c1c(Cl)nc2sccn21 ZINC000390396197 677673061 /nfs/dbraw/zinc/67/30/61/677673061.db2.gz GBWGXDVXYQDGOG-LLVKDONJSA-N 1 0 376.935 2.592 20 0 GFADRO CCN1CCC([NH2+]C[C@H](O)COc2ccc(Cl)cc2Br)CC1 ZINC000579827055 677673606 /nfs/dbraw/zinc/67/36/06/677673606.db2.gz FDVQFMQFOJBWTI-AWEZNQCLSA-N 1 0 391.737 2.916 20 0 GFADRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)NCc1ccsc1Br ZINC000580049692 677673651 /nfs/dbraw/zinc/67/36/51/677673651.db2.gz KGBDPDLKRUODTM-CYBMUJFWSA-N 1 0 390.347 2.763 20 0 GFADRO C[C@@H](CC(=O)NC[C@]1(O)C[NH+]2CCC1CC2)c1ccc(Br)cc1 ZINC000580214811 677673805 /nfs/dbraw/zinc/67/38/05/677673805.db2.gz GOVVXSZLOAHPDG-UGSOOPFHSA-N 1 0 381.314 2.516 20 0 GFADRO Cc1nsc(N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2sccc2C[NH+](C)C)C3)n1 ZINC001055115424 677674928 /nfs/dbraw/zinc/67/49/28/677674928.db2.gz PFSFTCKPPHBZOI-RDBSUJKOSA-N 1 0 377.539 2.509 20 0 GFADRO Cc1ccsc1[C@@H]1C[C@H]1C(=O)N[C@@H]1C[N@H+](CCc2cccs2)C[C@H]1O ZINC001076990627 677676028 /nfs/dbraw/zinc/67/60/28/677676028.db2.gz HUPMIGNQQOVHNU-QBPKDAKJSA-N 1 0 376.547 2.626 20 0 GFADRO FC(F)(c1cccc(-c2ccc(Cl)nn2)c1)N1CC[C@@H]2[NH2+]CCO[C@H]2C1 ZINC001164390317 718825406 /nfs/dbraw/zinc/82/54/06/718825406.db2.gz NVYNMNZTZWQOBK-HOTGVXAUSA-N 1 0 380.826 2.909 20 0 GFADRO Cc1ccc2nc(-c3ccccc3F)nc(N3CCN4CC[NH2+]C[C@@H]4C3)c2c1 ZINC001164398422 718835850 /nfs/dbraw/zinc/83/58/50/718835850.db2.gz FRKXMYSOECCCQV-MRXNPFEDSA-N 1 0 377.467 2.838 20 0 GFADRO CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@@H]2N1C(F)(F)c1nc(Cl)c2ccccc2n1 ZINC001164615232 719012802 /nfs/dbraw/zinc/01/28/02/719012802.db2.gz HPJHKQFLLQFCLD-SWHYSGLUSA-N 1 0 396.825 2.558 20 0 GFADRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@@H]2N1C(F)(F)c1ccc2cnc(Cl)nc2c1 ZINC001164614664 719015672 /nfs/dbraw/zinc/01/56/72/719015672.db2.gz GBDNIOPNSNQHLI-CQDKDKBSSA-N 1 0 396.825 2.558 20 0 GFADRO CCOC(=O)C1CC[NH+](C2CCN(c3cc(Cl)cc(OC)n3)CC2)CC1 ZINC001164613732 719025795 /nfs/dbraw/zinc/02/57/95/719025795.db2.gz AZGUXCCNBKYICU-UHFFFAOYSA-N 1 0 381.904 2.988 20 0 GFADRO CCOC(=O)C1CC[NH+](C2CCN(c3c(F)nc(F)nc3Cl)CC2)CC1 ZINC001164616989 719030681 /nfs/dbraw/zinc/03/06/81/719030681.db2.gz HDEIOVKATUIMEI-UHFFFAOYSA-N 1 0 388.846 2.652 20 0 GFADRO COC(=O)c1ccc(C(F)(F)N2C[C@H](CF)[C@H](C3([NH3+])CC3)C2)nc1Cl ZINC001164631596 719117110 /nfs/dbraw/zinc/11/71/10/719117110.db2.gz YRILKHGAIAILIN-GXSJLCMTSA-N 1 0 377.794 2.580 20 0 GFADRO C[C@@H]1C[N@H+](C)[C@H](C)CN1c1ncccc1C(=O)NCCSCc1ccco1 ZINC001164641634 719217106 /nfs/dbraw/zinc/21/71/06/719217106.db2.gz USTBEGBVXITBDA-HZPDHXFCSA-N 1 0 388.537 2.867 20 0 GFADRO COC(=O)/C=C\c1ccc(NC(=O)C(C)(C)C)c(N2C[C@H](C)[N@H+](C)C[C@H]2C)n1 ZINC001164641743 719222435 /nfs/dbraw/zinc/22/24/35/719222435.db2.gz UYJFMLOTNPRYMT-UBGRJXSISA-N 1 0 388.512 2.781 20 0 GFADRO CCn1nnc2c1[C@H](COC)CN(c1ccc([C@@H]3CCCC[N@@H+]3CC)cn1)C2 ZINC001164662394 719361943 /nfs/dbraw/zinc/36/19/43/719361943.db2.gz BSJSIMATELKSOW-HKUYNNGSSA-N 1 0 384.528 2.990 20 0 GFADRO CCc1c(Cl)nnc(-n2nc(CN(C)C(C)C)c3c2C[NH2+]CC3)c1CC ZINC001164681987 719623314 /nfs/dbraw/zinc/62/33/14/719623314.db2.gz KQGVLYZANXDTNQ-UHFFFAOYSA-N 1 0 376.936 2.926 20 0 GFADRO c1csc(C[N@@H+]2CCOC3(CCN(c4cnc5cccnc5n4)CC3)C2)c1 ZINC001164694894 719891394 /nfs/dbraw/zinc/89/13/94/719891394.db2.gz GXSGRLYQLVRCQZ-UHFFFAOYSA-N 1 0 381.505 2.958 20 0 GFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ccc3c(C(=O)OC)c[nH]c3n1)C2 ZINC001164812180 720096303 /nfs/dbraw/zinc/09/63/03/720096303.db2.gz PULKLWZVLYATHC-AOMKIAJQSA-N 1 0 398.507 2.534 20 0 GFADRO CCOc1ccc(N2CCC3(C[C@H](COC)[N@H+](Cc4ccccn4)C3)CC2)nn1 ZINC001164709537 720098109 /nfs/dbraw/zinc/09/81/09/720098109.db2.gz AHJJTNZGEIOEMY-LJQANCHMSA-N 1 0 397.523 2.778 20 0 GFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(Cl)nc3ncsc31)C2 ZINC001164816201 720118948 /nfs/dbraw/zinc/11/89/48/720118948.db2.gz YJRXNGATTULYMS-ACJLOTCBSA-N 1 0 393.944 2.924 20 0 GFADRO CCOC(=O)/C=C/c1ccc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COC)nc1 ZINC001164811081 720140918 /nfs/dbraw/zinc/14/09/18/720140918.db2.gz LGYWCNWPAASJDG-FHAFHINTSA-N 1 0 399.535 2.843 20 0 GFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ccc(-c3nc(C)no3)cn1)C2 ZINC001164813022 720174163 /nfs/dbraw/zinc/17/41/63/720174163.db2.gz BUOQFZDHONGOCJ-NQIIRXRSSA-N 1 0 383.496 2.625 20 0 GFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(C(N)=O)cc3ccccc31)C2 ZINC001164817836 720176907 /nfs/dbraw/zinc/17/69/07/720176907.db2.gz QJFPMXTXQICHGA-MBSDFSHPSA-N 1 0 394.519 2.518 20 0 GFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ncccc1C(=O)OC(C)C)C2 ZINC001164818528 720195594 /nfs/dbraw/zinc/19/55/94/720195594.db2.gz TUUGYJRBKHBTEC-XMSQKQJNSA-N 1 0 387.524 2.832 20 0 GFADRO Cc1csc2ncnc(N3CC[C@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)c12 ZINC001164817488 720288728 /nfs/dbraw/zinc/28/87/28/720288728.db2.gz DBTKKHIBGFQNOU-IRXDYDNUSA-N 1 0 399.564 2.911 20 0 GFADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2cc(Cl)ncc2F)CC1 ZINC001164826615 720315372 /nfs/dbraw/zinc/31/53/72/720315372.db2.gz VWXBQNFVCQRNDT-HOTGVXAUSA-N 1 0 380.895 2.786 20 0 GFADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2nccc3scnc32)CC1 ZINC001164833937 720321473 /nfs/dbraw/zinc/32/14/73/720321473.db2.gz YARWFPXBTGMKLR-HZPDHXFCSA-N 1 0 385.537 2.603 20 0 GFADRO COC(=O)c1ccc2c(c1)ncnc2N1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164723497 720345656 /nfs/dbraw/zinc/34/56/56/720345656.db2.gz HPXSBXQBDGKWLS-PMACEKPBSA-N 1 0 389.459 2.665 20 0 GFADRO Cc1cc2cccnc2c(N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164826039 720348052 /nfs/dbraw/zinc/34/80/52/720348052.db2.gz KCZYBTDUQNBQBN-UXHICEINSA-N 1 0 393.535 2.850 20 0 GFADRO Fc1cccc(-c2ncnc(N3CC[C@@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)n2)c1 ZINC001164730145 720451900 /nfs/dbraw/zinc/45/19/00/720451900.db2.gz IAYRZFDLWYQPKF-MOPGFXCFSA-N 1 0 376.439 2.926 20 0 GFADRO CCOC(=O)c1cc(N2Cc3nccn3C[C@@H](C[NH+](C)C)C2)nc2ccccc21 ZINC001164730815 720514332 /nfs/dbraw/zinc/51/43/32/720514332.db2.gz TZTNTKHNGSVSPS-MRXNPFEDSA-N 1 0 393.491 2.806 20 0 GFADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3ncnc4c3ccn4C)CC[C@@H]21 ZINC001164832817 720517695 /nfs/dbraw/zinc/51/76/95/720517695.db2.gz BLMXYNJHEWLPCI-LNLFQRSKSA-N 1 0 379.512 2.543 20 0 GFADRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(c2cncc(Oc3cccc(F)c3)n2)C1 ZINC001164732547 720519844 /nfs/dbraw/zinc/51/98/44/720519844.db2.gz DMBARWPFGNTSRI-OAHLLOKOSA-N 1 0 382.443 2.803 20 0 GFADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ncc4cccnc4n3)CC[C@@H]21 ZINC001164838537 720550705 /nfs/dbraw/zinc/55/07/05/720550705.db2.gz OJLYGRHLIGSFPU-QYZOEREBSA-N 1 0 377.496 2.599 20 0 GFADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ncc4ncsc4n3)CC[C@@H]21 ZINC001164834686 720563423 /nfs/dbraw/zinc/56/34/23/720563423.db2.gz FSIRMUHYOZALMX-VYDXJSESSA-N 1 0 383.525 2.661 20 0 GFADRO Fc1ncccc1-c1ccnc(N2CCc3ncc(C[NH+]4CCCC4)n3CC2)n1 ZINC001164728731 720574654 /nfs/dbraw/zinc/57/46/54/720574654.db2.gz LGDMNZYETHXERO-UHFFFAOYSA-N 1 0 393.470 2.533 20 0 GFADRO COc1ccc2nc(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)c(C)cc2c1 ZINC001164740937 720607310 /nfs/dbraw/zinc/60/73/10/720607310.db2.gz KRKPFCFZJQYQIC-IEBWSBKVSA-N 1 0 391.475 2.684 20 0 GFADRO COc1nc(C)nc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c1C ZINC001164843519 720635531 /nfs/dbraw/zinc/63/55/31/720635531.db2.gz XOYKPKYOTGHNLS-IPMKNSEASA-N 1 0 384.528 2.676 20 0 GFADRO COc1nc(C)nc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c1C ZINC001164843516 720636860 /nfs/dbraw/zinc/63/68/60/720636860.db2.gz XOYKPKYOTGHNLS-CEXWTWQISA-N 1 0 384.528 2.676 20 0 GFADRO c1ncn(C[C@H]2C[C@@H]3CN(c4ncnc5ccccc54)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164748837 720812858 /nfs/dbraw/zinc/81/28/58/720812858.db2.gz RPEACWRVJLZAPR-DBXWQHBBSA-N 1 0 389.507 2.601 20 0 GFADRO c1ncn(C[C@@H]2C[C@@H]3CN(c4ccc5c(n4)CCCC5)CC[C@@H]3[N@@H+]2CC2CC2)n1 ZINC001164738009 720823995 /nfs/dbraw/zinc/82/39/95/720823995.db2.gz DIGPCEOZLWCVGH-URVUXULASA-N 1 0 392.551 2.931 20 0 GFADRO CC(C)c1nccc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164746939 720832270 /nfs/dbraw/zinc/83/22/70/720832270.db2.gz ZQYONBDYEIWGMF-IPMKNSEASA-N 1 0 381.528 2.571 20 0 GFADRO c1cc2nc(N3CC[C@H]4[C@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)ccc2o1 ZINC001164748966 720834292 /nfs/dbraw/zinc/83/42/92/720834292.db2.gz VFKYBOYMFGXISB-AOIWGVFYSA-N 1 0 378.480 2.799 20 0 GFADRO Cc1cc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc(C2CC2)n1 ZINC001164744018 720851714 /nfs/dbraw/zinc/85/17/14/720851714.db2.gz BFOOYJRGMPKVDN-XUVXKRRUSA-N 1 0 393.539 2.633 20 0 GFADRO COCC[N@@H+]1CCO[C@@H]2CN(c3cc(Cl)nc4[nH]cc(C)c43)CC[C@@H]2C1 ZINC001164857489 720872944 /nfs/dbraw/zinc/87/29/44/720872944.db2.gz JTVCWSDUDAJSPB-GDBMZVCRSA-N 1 0 378.904 2.698 20 0 GFADRO COCC[N@@H+]1CCO[C@H]2CN(c3ncc(F)c(-c4ccsc4)n3)CC[C@@H]2C1 ZINC001164861592 720888594 /nfs/dbraw/zinc/88/85/94/720888594.db2.gz PVCJRLQUTVLDQM-PBHICJAKSA-N 1 0 392.500 2.518 20 0 GFADRO CNC(=O)c1nc(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@H]2C)ccc1Cl ZINC001164863435 720974094 /nfs/dbraw/zinc/97/40/94/720974094.db2.gz VMFYNQKZYYMGEX-CYBMUJFWSA-N 1 0 390.919 2.713 20 0 GFADRO Cc1cccc(CN2C(=O)C[C@@H]3[C@H]2CCN3c2ccc(C[NH+]3CCCC3)cn2)n1 ZINC001164771705 721054749 /nfs/dbraw/zinc/05/47/49/721054749.db2.gz NOMAQFQORUKQDW-NHCUHLMSSA-N 1 0 391.519 2.761 20 0 GFADRO FC(F)(c1cnc(Cl)cn1)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164867765 721054943 /nfs/dbraw/zinc/05/49/43/721054943.db2.gz KGAVNCIOQBUTPV-LSDHHAIUSA-N 1 0 395.841 2.550 20 0 GFADRO FC(F)(c1ccc(Cl)nn1)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164870959 721061430 /nfs/dbraw/zinc/06/14/30/721061430.db2.gz XPIWCUZXKNJSAB-GJZGRUSLSA-N 1 0 395.841 2.550 20 0 GFADRO Cc1cccc2c1ncnc2N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164867144 721066012 /nfs/dbraw/zinc/06/60/12/721066012.db2.gz ILOOLXCABQVHNT-RBUKOAKNSA-N 1 0 375.476 2.813 20 0 GFADRO Cc1nc2ccc(F)cc2c(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164867541 721067636 /nfs/dbraw/zinc/06/76/36/721067636.db2.gz JODVOBYOJHTXMY-RBUKOAKNSA-N 1 0 393.466 2.952 20 0 GFADRO Clc1nc2cccnc2nc1N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164865493 721086348 /nfs/dbraw/zinc/08/63/48/721086348.db2.gz LTJCUPPRWFCXEF-JKSUJKDBSA-N 1 0 396.882 2.553 20 0 GFADRO CSc1ncc(Cl)c(N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@H]3C2)n1 ZINC001164762840 721088685 /nfs/dbraw/zinc/08/86/85/721088685.db2.gz FIKPTOQONGEQLE-KBPBESRZSA-N 1 0 378.933 2.544 20 0 GFADRO Cc1cccc2ncnc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)c12 ZINC001164867748 721094675 /nfs/dbraw/zinc/09/46/75/721094675.db2.gz ZYCBTUFCKROUHK-RBUKOAKNSA-N 1 0 375.476 2.813 20 0 GFADRO Fc1ccc2cnnc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)c2c1 ZINC001164865320 721097006 /nfs/dbraw/zinc/09/70/06/721097006.db2.gz KAARKSNJLVBSFY-RBUKOAKNSA-N 1 0 379.439 2.644 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(C(F)(F)Oc4ccc(Cl)nc4)C[C@@H]3C2)cn1 ZINC001164765346 721102881 /nfs/dbraw/zinc/10/28/81/721102881.db2.gz JAKIWCOGTCZEII-CABCVRRESA-N 1 0 397.857 2.852 20 0 GFADRO Cc1cc(C(F)(F)N2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)nc(Cl)n1 ZINC001164773809 721107807 /nfs/dbraw/zinc/10/78/07/721107807.db2.gz ZCSWKAFLSXPZKA-LSDHHAIUSA-N 1 0 396.873 2.675 20 0 GFADRO CC(C)COc1cccc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164879843 721126499 /nfs/dbraw/zinc/12/64/99/721126499.db2.gz ULXJEPCBFXALHC-VQTJNVASSA-N 1 0 382.508 2.991 20 0 GFADRO CC(C)n1ccc2c1ncnc2N1C[C@@H]2CC[N@H+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001164773892 721182823 /nfs/dbraw/zinc/18/28/23/721182823.db2.gz XXPVLMVXNIQODL-ROUUACIJSA-N 1 0 379.512 2.704 20 0 GFADRO CCc1cc2c(nc(Cl)nc2N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@H]3C2)[nH]1 ZINC001164763217 721183652 /nfs/dbraw/zinc/18/36/52/721183652.db2.gz DSYCMLKCZJYFMY-GJZGRUSLSA-N 1 0 399.930 2.866 20 0 GFADRO Cc1ccc(-c2ccc(N3C[C@@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@@H]4C3)nn2)o1 ZINC001164772438 721216781 /nfs/dbraw/zinc/21/67/81/721216781.db2.gz UTBSRDCNHGHZKT-ZWKOTPCHSA-N 1 0 378.480 2.737 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4ccc(COC5CCC5)cn4)C[C@@H]3C2)cn1 ZINC001164763902 721230838 /nfs/dbraw/zinc/23/08/38/721230838.db2.gz OAUYXTZARJNZDL-PMACEKPBSA-N 1 0 381.524 2.843 20 0 GFADRO COc1cc(C)c2ncnc(N3C[C@@H]4C[N@@H+](Cc5cnn(C)c5)CC[C@@H]4C3)c2c1 ZINC001164769745 721249928 /nfs/dbraw/zinc/24/99/28/721249928.db2.gz ZMCNSDNDQSPOLE-MSOLQXFVSA-N 1 0 392.507 2.639 20 0 GFADRO Cc1nc(C(C)C)cc(N2CC[C@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)n1 ZINC001164886773 721386095 /nfs/dbraw/zinc/38/60/95/721386095.db2.gz GEBNPUHZQZSSSI-KNQAVFIVSA-N 1 0 387.572 2.674 20 0 GFADRO Cc1cc(N2CC[C@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)ncc1Cl ZINC001164886140 721397772 /nfs/dbraw/zinc/39/77/72/721397772.db2.gz DMYFIRATANWCBJ-PXNSSMCTSA-N 1 0 378.948 2.809 20 0 GFADRO Cc1c[nH]c2nc(N3CC[C@]4(C3)CCC[C@H](C[NH+]3CCN(C)CC3)O4)ccc12 ZINC001164888626 721399748 /nfs/dbraw/zinc/39/97/48/721399748.db2.gz KNFGGDHKEOOWDL-GCJKJVERSA-N 1 0 383.540 2.637 20 0 GFADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4ncnc5cccc(F)c54)C3)O2)CC1 ZINC001164884688 721416640 /nfs/dbraw/zinc/41/66/40/721416640.db2.gz FJXVCVDXJHXOMB-JTSKRJEESA-N 1 0 399.514 2.534 20 0 GFADRO CSCc1ccc(N2CC[C@@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)nc1 ZINC001164894272 721441961 /nfs/dbraw/zinc/44/19/61/721441961.db2.gz LHJFIESVORNZCK-PZJWPPBQSA-N 1 0 390.597 2.710 20 0 GFADRO CCCCc1cc(N2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)ncn1 ZINC001164894960 721444022 /nfs/dbraw/zinc/44/40/22/721444022.db2.gz NVLCPBRKFHHPDD-IFMALSPDSA-N 1 0 387.572 2.585 20 0 GFADRO CCOC(=O)c1ccc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)nc1 ZINC001164898187 721511140 /nfs/dbraw/zinc/51/11/40/721511140.db2.gz IEVYCDJWSHXYEL-IEBWSBKVSA-N 1 0 385.439 2.739 20 0 GFADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)nc3c2CCC3)[C@@H]2CCCO[C@H]12 ZINC001164798933 721534061 /nfs/dbraw/zinc/53/40/61/721534061.db2.gz AAVVPBGYGBSHGE-QRVBRYPASA-N 1 0 399.926 2.882 20 0 GFADRO Cc1cc2c(ncnc2N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)[nH]1 ZINC001164800625 721544156 /nfs/dbraw/zinc/54/41/56/721544156.db2.gz CTUZCFVBSRMBET-CEXWTWQISA-N 1 0 378.480 2.530 20 0 GFADRO Fc1cccc(O[C@@H]2C[C@@H]3CN(c4ccnc(N5CCCCC5)n4)CC[N@@H+]3C2)c1 ZINC001164906971 721551712 /nfs/dbraw/zinc/55/17/12/721551712.db2.gz LLCCYTGWQPMLQO-UYAOXDASSA-N 1 0 397.498 2.948 20 0 GFADRO Fc1cccc(O[C@H]2C[C@H]3CN(c4cc(N5CCCCC5)ncn4)CC[N@@H+]3C2)c1 ZINC001164910206 721552718 /nfs/dbraw/zinc/55/27/18/721552718.db2.gz VWSDSZUGPAJZKI-ICSRJNTNSA-N 1 0 397.498 2.948 20 0 GFADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2nc(Cl)cc3[nH]ccc32)CC1 ZINC001165008408 721732801 /nfs/dbraw/zinc/73/28/01/721732801.db2.gz NRFCYLXLSXIZOW-UHFFFAOYSA-N 1 0 375.904 2.739 20 0 GFADRO COc1ccc2ccc(N3CCCC34CC[NH+](CC(=O)N(C)C)CC4)nc2c1 ZINC001165011526 721740234 /nfs/dbraw/zinc/74/02/34/721740234.db2.gz YQDNKYQKPQYYGN-UHFFFAOYSA-N 1 0 382.508 2.766 20 0 GFADRO CCc1nc2sccc2c(N2CCCC23CC[NH+](CC(=O)N(C)C)CC3)n1 ZINC001165013286 721747441 /nfs/dbraw/zinc/74/74/41/721747441.db2.gz WYSZLTYDZQQKNY-UHFFFAOYSA-N 1 0 387.553 2.777 20 0 GFADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(Cl)ccc3C(N)=O)C[C@H]21 ZINC001165024130 721813214 /nfs/dbraw/zinc/81/32/14/721813214.db2.gz ISYSYUWDJWPHDK-ZTFGCOKTSA-N 1 0 399.926 2.966 20 0 GFADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cncc(-n4ccnc4)n3)C[C@@H]21 ZINC001165024745 721818623 /nfs/dbraw/zinc/81/86/23/721818623.db2.gz KLWTVGULGZTMLF-YSIASYRMSA-N 1 0 389.507 2.794 20 0 GFADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cncc(-n4ccnc4)n3)C[C@H]21 ZINC001165024742 721818688 /nfs/dbraw/zinc/81/86/88/721818688.db2.gz KLWTVGULGZTMLF-MISYRCLQSA-N 1 0 389.507 2.794 20 0 GFADRO Cc1cc(C(N)=O)cc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)n1 ZINC001165024515 721830125 /nfs/dbraw/zinc/83/01/25/721830125.db2.gz KJFKXWREQUKXOQ-PWIZWCRZSA-N 1 0 379.508 2.621 20 0 GFADRO C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2C(F)(F)c1c[nH]c2nc(Cl)ccc12 ZINC001164927383 721863793 /nfs/dbraw/zinc/86/37/93/721863793.db2.gz UQRGCIGKOBSVDG-HUUCEWRRSA-N 1 0 383.874 2.976 20 0 GFADRO Cc1ccc(-c2nc3c(ncnc3N3CC[C@H]4[C@H]3CCN4CC[NH+](C)C)o2)cc1 ZINC001164934408 721881007 /nfs/dbraw/zinc/88/10/07/721881007.db2.gz RLDBESMXYCBYEY-ZWKOTPCHSA-N 1 0 392.507 2.808 20 0 GFADRO C[N@H+](Cc1ccc(N2CCCn3cnc(Cn4cccn4)c3C2)nc1)C1CC1 ZINC001164939051 721915730 /nfs/dbraw/zinc/91/57/30/721915730.db2.gz RZQMTEWEHGXOIM-UHFFFAOYSA-N 1 0 377.496 2.527 20 0 GFADRO CCS(=O)(=O)c1cc(C(F)(F)N(C)CC2CC[NH+](C)CC2)cnc1Cl ZINC001165043736 721939379 /nfs/dbraw/zinc/93/93/79/721939379.db2.gz DRVXLSQSUBZJKQ-UHFFFAOYSA-N 1 0 395.903 2.852 20 0 GFADRO C[NH+](C)CC1CCN(c2nc(Cl)nc3c2ncn3[C@H]2CCCCO2)CC1 ZINC001165041683 721945223 /nfs/dbraw/zinc/94/52/23/721945223.db2.gz IHFHEOQGAOMNSF-CQSZACIVSA-N 1 0 378.908 2.957 20 0 GFADRO CCOC(=O)[C@@H]1CCCN(c2ccc(N3CCC([NH+](CC)CC)CC3)nn2)C1 ZINC001165052878 722005992 /nfs/dbraw/zinc/00/59/92/722005992.db2.gz GCVLMGKXPLPGCN-QGZVFWFLSA-N 1 0 389.544 2.567 20 0 GFADRO Clc1nc2nc[nH]c2c(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)n1 ZINC001164955575 722012567 /nfs/dbraw/zinc/01/25/67/722012567.db2.gz WUWDEECVALUIAN-UHFFFAOYSA-N 1 0 383.887 2.894 20 0 GFADRO c1ccc(CC[NH+]2CCN(c3cc(-c4nc(C5CC5)no4)ccn3)CC2)nc1 ZINC001165054830 722019195 /nfs/dbraw/zinc/01/91/95/722019195.db2.gz FDSWSHQNJCKLFB-UHFFFAOYSA-N 1 0 376.464 2.769 20 0 GFADRO Cc1cn(-c2ccc(N3CCC4(CC[N@H+](Cc5cccnc5)C4)CC3)nn2)cn1 ZINC001164956244 722019739 /nfs/dbraw/zinc/01/97/39/722019739.db2.gz ZZHNDJGJPOZEDR-UHFFFAOYSA-N 1 0 389.507 2.858 20 0 GFADRO O=C(NCc1cccnc1)[C@H]1C[C@@]12CCN(c1ccc(C[NH+]3CCCC3)cn1)C2 ZINC001164963068 722034550 /nfs/dbraw/zinc/03/45/50/722034550.db2.gz ZRZSVEIKWIOQPZ-NFBKMPQASA-N 1 0 391.519 2.605 20 0 GFADRO O=C(NCc1cccnc1)[C@@H]1C[C@@]12CCN(c1ncccc1C[NH+]1CCCC1)C2 ZINC001164955938 722035201 /nfs/dbraw/zinc/03/52/01/722035201.db2.gz ACNLHLLFNPPUNI-NZQKXSOJSA-N 1 0 391.519 2.605 20 0 GFADRO COc1cnc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)c(C)c1 ZINC001164964053 722055901 /nfs/dbraw/zinc/05/59/01/722055901.db2.gz RESDRZSAOIZVCP-UHFFFAOYSA-N 1 0 382.508 2.913 20 0 GFADRO CC(C)CNC(=O)c1nc2c(s1)CCN(c1cc(C[NH+](C)C)ccn1)CC2 ZINC001164966052 722066835 /nfs/dbraw/zinc/06/68/35/722066835.db2.gz VSRTUSDJXPMBFV-UHFFFAOYSA-N 1 0 387.553 2.591 20 0 GFADRO c1ccc2nc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)ncc2c1 ZINC001164980025 722099378 /nfs/dbraw/zinc/09/93/78/722099378.db2.gz IVSFXCUGPRHOGB-FPOVZHCZSA-N 1 0 375.476 2.752 20 0 GFADRO CSc1nc(C)cc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164984679 722099424 /nfs/dbraw/zinc/09/94/24/722099424.db2.gz TXTIBVCNQQUAPZ-QZTJIDSGSA-N 1 0 385.537 2.629 20 0 GFADRO c1ccc2c(c1)ncnc2N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164978355 722102002 /nfs/dbraw/zinc/10/20/02/722102002.db2.gz GSXHYJJMHNDOFI-WIYYLYMNSA-N 1 0 375.476 2.752 20 0 GFADRO Fc1ccc2c(c1)ncnc2N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164984732 722103864 /nfs/dbraw/zinc/10/38/64/722103864.db2.gz UGQUVCJOGDNPEO-UTKZUKDTSA-N 1 0 393.466 2.891 20 0 GFADRO Fc1ccc2ncnc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)c2c1 ZINC001164983931 722103898 /nfs/dbraw/zinc/10/38/98/722103898.db2.gz RFJFYAUOWHMGDH-UTKZUKDTSA-N 1 0 393.466 2.891 20 0 GFADRO Fc1ccc2c(c1)ncnc2N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164984733 722103990 /nfs/dbraw/zinc/10/39/90/722103990.db2.gz UGQUVCJOGDNPEO-UWJYYQICSA-N 1 0 393.466 2.891 20 0 GFADRO Fc1cnc(Cl)cc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164979114 722113832 /nfs/dbraw/zinc/11/38/32/722113832.db2.gz OZQUMHGUCBEKCT-QAPCUYQASA-N 1 0 376.863 2.996 20 0 GFADRO Clc1nnc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c2occc21 ZINC001164977050 722130659 /nfs/dbraw/zinc/13/06/59/722130659.db2.gz IDQNXDPGIFOXOL-WBVHZDCISA-N 1 0 399.882 2.999 20 0 GFADRO CCc1cc(CC)nc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164974612 722155672 /nfs/dbraw/zinc/15/56/72/722155672.db2.gz OHSWBQZQHLIFDY-WIYYLYMNSA-N 1 0 381.524 2.724 20 0 GFADRO NC(=O)c1cc(Cl)nc(N2CCC[C@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)n1 ZINC001164994327 722197248 /nfs/dbraw/zinc/19/72/48/722197248.db2.gz NESZVNAZRRKZBD-IBGZPJMESA-N 1 0 389.862 2.613 20 0 GFADRO C[NH+](C)CCOCc1ncn2c1CN([C@H](F)c1ccnc(Cl)c1)CCC2 ZINC001165002588 722253469 /nfs/dbraw/zinc/25/34/69/722253469.db2.gz QZEZESQXUHYZSP-SFHVURJKSA-N 1 0 381.883 2.884 20 0 GFADRO C[NH+](C)CCCC(C)(C)NS(=O)(=O)c1ccc(Br)cc1F ZINC000387273042 563519344 /nfs/dbraw/zinc/51/93/44/563519344.db2.gz MHGZBMVEIZAREO-UHFFFAOYSA-N 1 0 381.311 2.987 20 0 GFADRO CCn1cc([C@H]2OCCC[C@@H]2[NH2+][C@H](C)Cn2cc(Br)cn2)cn1 ZINC000328654181 203766134 /nfs/dbraw/zinc/76/61/34/203766134.db2.gz XHMMFDCIJGPSBI-UHOFOFEASA-N 1 0 382.306 2.760 20 0 GFADRO CN(C(=O)[C@@H]1CC(c2ccccc2)=NO1)C1CC[NH+](CCc2ccncc2)CC1 ZINC000359980318 203809065 /nfs/dbraw/zinc/80/90/65/203809065.db2.gz YBSRKXKRWTWALU-QFIPXVFZSA-N 1 0 392.503 2.740 20 0 GFADRO Cc1occc1C(=O)NCC(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000053358988 205136408 /nfs/dbraw/zinc/13/64/08/205136408.db2.gz JHCDVCLSLOGHLJ-MRXNPFEDSA-N 1 0 383.492 2.866 20 0 GFADRO CN(C[C@@H]1CCCN(Cc2ccc(Br)cc2)C1)S(C)(=O)=O ZINC000285696967 563532484 /nfs/dbraw/zinc/53/24/84/563532484.db2.gz SBTHVPYHJWSMKX-AWEZNQCLSA-N 1 0 375.332 2.553 20 0 GFADRO C[C@@]1(CO)CCC[C@@H]1[NH2+]CC(=O)Nc1c(F)cc(F)cc1Br ZINC000331144910 563537146 /nfs/dbraw/zinc/53/71/46/563537146.db2.gz GUYKLIZMZMWDDQ-WFASDCNBSA-N 1 0 377.229 2.807 20 0 GFADRO C[C@H]1CCCN(S(=O)(=O)c2ccc(Br)c(F)c2)[C@H]1CC[NH3+] ZINC000405275084 563539015 /nfs/dbraw/zinc/53/90/15/563539015.db2.gz WRFHWKHPKXMCQA-HZMBPMFUSA-N 1 0 379.295 2.726 20 0 GFADRO C[NH2+][C@@H](C)c1cn(Cc2cc(Cl)ccc2I)nn1 ZINC000405274284 563539017 /nfs/dbraw/zinc/53/90/17/563539017.db2.gz WGKCALUBILASHW-QMMMGPOBSA-N 1 0 376.629 2.865 20 0 GFADRO COc1ccc(Br)cc1C[N@@H+]1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000009981401 551103889 /nfs/dbraw/zinc/10/38/89/551103889.db2.gz COIWJAKWDSEPFO-AWEZNQCLSA-N 1 0 397.313 2.529 20 0 GFADRO O=C(Nc1ccc(I)cc1)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000020478011 551115673 /nfs/dbraw/zinc/11/56/73/551115673.db2.gz GTTFXTOGAQLPNU-OAHLLOKOSA-N 1 0 378.213 2.944 20 0 GFADRO Cc1ccc(S(=O)(=O)N[C@@H](C)C[NH+]2CCCCC2)c(Br)c1 ZINC000040435909 551134381 /nfs/dbraw/zinc/13/43/81/551134381.db2.gz WZIDCCGSHANQPD-ZDUSSCGKSA-N 1 0 375.332 2.910 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)NC[C@@H]1CCN(CC(F)(F)F)C1)c1ccsc1 ZINC000046346147 551150011 /nfs/dbraw/zinc/15/00/11/551150011.db2.gz JBVJXNCVFXBKLV-JSGCOSHPSA-N 1 0 378.464 2.534 20 0 GFADRO C[N@@H+]1CCC[C@H]1CNC(=O)c1cc(Cl)ccc1I ZINC000049095842 551157847 /nfs/dbraw/zinc/15/78/47/551157847.db2.gz MNOCXRMJSBIBOK-JTQLQIEISA-N 1 0 378.641 2.769 20 0 GFADRO C[NH+]1CCN(CCNC(=O)CCCCc2ccc(Br)cc2)CC1 ZINC000049619701 551159591 /nfs/dbraw/zinc/15/95/91/551159591.db2.gz VWTDCPPIHAMKTG-UHFFFAOYSA-N 1 0 382.346 2.526 20 0 GFADRO CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2cc(Br)ccc2C)C1 ZINC000067393471 551188229 /nfs/dbraw/zinc/18/82/29/551188229.db2.gz HLIHEPFSCHTRIP-ZDUSSCGKSA-N 1 0 382.302 2.544 20 0 GFADRO CCC[N@H+](CCC(=O)Nc1cc(Cl)ccc1OC)[C@H]1CCS(=O)(=O)C1 ZINC000067964061 551190768 /nfs/dbraw/zinc/19/07/68/551190768.db2.gz JAFWSVYAPWKSOZ-AWEZNQCLSA-N 1 0 388.917 2.576 20 0 GFADRO C[N@@H+]1CCCC[C@H]1CN1CCN(CCOc2ccccc2Br)CC1 ZINC000093791000 551195552 /nfs/dbraw/zinc/19/55/52/551195552.db2.gz GKIKSDHCXIIHFQ-KRWDZBQOSA-N 1 0 396.373 2.930 20 0 GFADRO C[NH+](C)CCN1C[C@H](C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1=O ZINC000114159589 551209193 /nfs/dbraw/zinc/20/91/93/551209193.db2.gz YKDSVQCZFIWYNZ-SNVBAGLBSA-N 1 0 377.794 2.707 20 0 GFADRO CC(C)C[C@H](CNC(=O)CCNC(=O)c1ccc(Br)cc1)[NH+](C)C ZINC000114140480 551209417 /nfs/dbraw/zinc/20/94/17/551209417.db2.gz KTZDQPKTTMEZSN-MRXNPFEDSA-N 1 0 398.345 2.662 20 0 GFADRO C[C@H]1CCC[N@H+](CCCCNC(=O)CCn2cc(Br)ccc2=O)C1 ZINC000120930439 551223413 /nfs/dbraw/zinc/22/34/13/551223413.db2.gz VAONALAAFPQITE-HNNXBMFYSA-N 1 0 398.345 2.629 20 0 GFADRO CN1CCN(S(=O)(=O)Cc2ccc(Br)cc2)c2c[nH+]ccc21 ZINC000121372324 551233207 /nfs/dbraw/zinc/23/32/07/551233207.db2.gz DTVZBWWPDYGUEO-UHFFFAOYSA-N 1 0 382.283 2.630 20 0 GFADRO O=C(NCC[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)c1ccc(Br)cc1 ZINC000121385443 551233278 /nfs/dbraw/zinc/23/32/78/551233278.db2.gz UVSWHFCKALFZRF-XHSDSOJGSA-N 1 0 379.298 2.726 20 0 GFADRO CN1CC[NH+]([C@@H]2CCCCN(C(=O)c3cc(Cl)c(N)c(Cl)c3)C2)CC1 ZINC000121417279 551234219 /nfs/dbraw/zinc/23/42/19/551234219.db2.gz DJLRKSQGCVZULV-CQSZACIVSA-N 1 0 385.339 2.818 20 0 GFADRO C[C@@]1(C(=O)N[C@@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)CCC[NH2+]1 ZINC000121692614 551239969 /nfs/dbraw/zinc/23/99/69/551239969.db2.gz QRRFHQRBLBEROP-ABAIWWIYSA-N 1 0 376.810 2.591 20 0 GFADRO CCCN(CC[NH+](CC)CC)C(=O)C(=O)Nc1cccc(Br)c1 ZINC000121715499 551240908 /nfs/dbraw/zinc/24/09/08/551240908.db2.gz SONUBINOYDISQN-UHFFFAOYSA-N 1 0 384.318 2.968 20 0 GFADRO C[C@@H]1CCC[N@@H+]1C1CCN(C(=O)C(=O)Nc2ccccc2Br)CC1 ZINC000121764925 551241646 /nfs/dbraw/zinc/24/16/46/551241646.db2.gz ALVYFKRRHMQCDW-CYBMUJFWSA-N 1 0 394.313 2.863 20 0 GFADRO CCC[C@@H]1CN(C[C@H](O)c2ccc(Br)cc2)CC[N@@H+]1CCOC ZINC000121798457 551243039 /nfs/dbraw/zinc/24/30/39/551243039.db2.gz WXYLYUGFJIDQTP-MSOLQXFVSA-N 1 0 385.346 2.915 20 0 GFADRO C[C@@H](CNC(=O)C(=O)Nc1cccc(Br)c1)C[NH+]1CCCCC1 ZINC000121892006 551292138 /nfs/dbraw/zinc/29/21/38/551292138.db2.gz ZTTYOJJGLOOORV-ZDUSSCGKSA-N 1 0 382.302 2.626 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000122038032 551293656 /nfs/dbraw/zinc/29/36/56/551293656.db2.gz PAUVATGECPBVDK-CZUORRHYSA-N 1 0 394.313 2.639 20 0 GFADRO CSc1ccc(Cl)cc1NC(=O)C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000122149115 551295200 /nfs/dbraw/zinc/29/52/00/551295200.db2.gz UAOKMYHZQCZGQS-DOMZBBRYSA-N 1 0 381.929 2.943 20 0 GFADRO CCN1CC[NH+](C[C@H](C)CNC(=O)c2csc(-c3cccs3)n2)CC1 ZINC000122237547 551296242 /nfs/dbraw/zinc/29/62/42/551296242.db2.gz NSKXFFLVDVSVFX-CQSZACIVSA-N 1 0 378.567 2.875 20 0 GFADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)COc2ccc(Cl)cc2Cl)CC1 ZINC000122475583 551298392 /nfs/dbraw/zinc/29/83/92/551298392.db2.gz SIPPFZPFWHWCQV-AWEZNQCLSA-N 1 0 388.339 2.762 20 0 GFADRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)[C@H]1SCCc2sccc21 ZINC000122503933 551298751 /nfs/dbraw/zinc/29/87/51/551298751.db2.gz VUWNAMYYSQFLCS-RYRKJORJSA-N 1 0 380.579 2.963 20 0 GFADRO COC(=O)c1sc2ccccc2c1S(=O)(=O)N1CCCC[C@H]1[C@H](C)[NH3+] ZINC000123062370 551302532 /nfs/dbraw/zinc/30/25/32/551302532.db2.gz SAKZQSQFTNAXFM-AAEUAGOBSA-N 1 0 382.507 2.578 20 0 GFADRO CCC(=O)N1CCC[N@H+](C[C@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000123095824 551302773 /nfs/dbraw/zinc/30/27/73/551302773.db2.gz AQTLHGYTKOBGHC-AWEZNQCLSA-N 1 0 375.296 2.677 20 0 GFADRO C[C@@H]1C[C@H](N(C)CC(=O)N(C)Cc2ccccc2Br)CC[N@@H+]1C ZINC000123300282 551305081 /nfs/dbraw/zinc/30/50/81/551305081.db2.gz VFAKPWXXJNMKOH-GDBMZVCRSA-N 1 0 382.346 2.822 20 0 GFADRO CC1CCC([NH+]2CCC(N(C)S(=O)(=O)c3cn(C)c(Cl)n3)CC2)CC1 ZINC000123912329 551309984 /nfs/dbraw/zinc/30/99/84/551309984.db2.gz MLKFWOPRLMIVJY-UHFFFAOYSA-N 1 0 388.965 2.737 20 0 GFADRO C[NH+](C)CCOc1cc(CNC(=O)c2cc(F)cc(Br)c2)ccn1 ZINC000124113926 551310340 /nfs/dbraw/zinc/31/03/40/551310340.db2.gz RTADWJMIEDSHOS-UHFFFAOYSA-N 1 0 396.260 2.854 20 0 GFADRO C[NH+](C)CCOc1cc(CNC(=O)c2ccc(Br)s2)ccn1 ZINC000124157132 551311487 /nfs/dbraw/zinc/31/14/87/551311487.db2.gz NUYZGQPNCCGUKI-UHFFFAOYSA-N 1 0 384.299 2.776 20 0 GFADRO CN(CC[NH+]1CCCC1)C(=O)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000124179887 551312129 /nfs/dbraw/zinc/31/21/29/551312129.db2.gz NCWQTMCHQZZXAV-UHFFFAOYSA-N 1 0 377.794 2.852 20 0 GFADRO COC(=O)c1sc2ccccc2c1S(=O)(=O)N[C@@](C)(C[NH3+])CC(C)C ZINC000124465222 551315305 /nfs/dbraw/zinc/31/53/05/551315305.db2.gz MXQSPGKCAIGARU-QGZVFWFLSA-N 1 0 384.523 2.730 20 0 GFADRO Cc1cc(C(=O)N2CCCC[C@@H]([NH+]3CCN(C)CC3)C2)ccc1Br ZINC000125162983 551319836 /nfs/dbraw/zinc/31/98/36/551319836.db2.gz SLKRQXNOHFNFJT-QGZVFWFLSA-N 1 0 394.357 3.000 20 0 GFADRO C[N@H+](C[C@H](O)COc1ccccc1)[C@@H](CO)c1cccc(Br)c1 ZINC000125670957 551322398 /nfs/dbraw/zinc/32/23/98/551322398.db2.gz WQGJIYIYGDMZIF-WMZOPIPTSA-N 1 0 380.282 2.854 20 0 GFADRO COc1cc[nH+]c(N2CCN(C(=O)Nc3cncc(Br)c3)CC2)c1 ZINC000126542557 551330859 /nfs/dbraw/zinc/33/08/59/551330859.db2.gz AWNGLTHVPSCVHH-UHFFFAOYSA-N 1 0 392.257 2.602 20 0 GFADRO COc1ccccc1[C@H](CNC(=O)CSc1nncs1)[NH+]1CCCC1 ZINC000126757065 551332447 /nfs/dbraw/zinc/33/24/47/551332447.db2.gz JUKJCEHEDYXKRF-AWEZNQCLSA-N 1 0 378.523 2.592 20 0 GFADRO CCN(CCC[NH2+][C@H](C)c1ccc(Br)cc1F)S(C)(=O)=O ZINC000126999675 551335779 /nfs/dbraw/zinc/33/57/79/551335779.db2.gz XXGCEGDIYMOQBO-LLVKDONJSA-N 1 0 381.311 2.910 20 0 GFADRO CNS(=O)(=O)[C@H]1CCN(c2c(C)c(C)[nH+]c3ccc(Br)cc32)C1 ZINC000128799559 551352851 /nfs/dbraw/zinc/35/28/51/551352851.db2.gz WFLHIUPFQXETQV-ZDUSSCGKSA-N 1 0 398.326 2.742 20 0 GFADRO C[C@H]([NH2+]Cc1nc(-c2ccc(Br)cc2)c[nH]1)[C@@H]1CN(C)CCO1 ZINC000129416190 551357226 /nfs/dbraw/zinc/35/72/26/551357226.db2.gz INQABIQODYNLGR-LRDDRELGSA-N 1 0 379.302 2.648 20 0 GFADRO O=C(CN1CCCSCC1)Nc1ccc(I)cc1 ZINC000129470727 551357762 /nfs/dbraw/zinc/35/77/62/551357762.db2.gz OYXLYTMFJSRNCC-UHFFFAOYSA-N 1 0 376.263 2.669 20 0 GFADRO Cc1cc(Cl)ccc1C[NH2+]Cc1ccccc1S(=O)(=O)N(C)CCO ZINC000129705976 551358780 /nfs/dbraw/zinc/35/87/80/551358780.db2.gz ODOWNOWKHUBGTD-UHFFFAOYSA-N 1 0 382.913 2.551 20 0 GFADRO CC[NH2+]CC1CCN(S(=O)(=O)c2ccc(C)cc2Br)CC1 ZINC000129967990 551360543 /nfs/dbraw/zinc/36/05/43/551360543.db2.gz QSRBZWYHMSLMLQ-UHFFFAOYSA-N 1 0 375.332 2.768 20 0 GFADRO O=S(=O)(NCC1CC[NH+](Cc2ccccc2Cl)CC1)c1ccccn1 ZINC000131827101 551376177 /nfs/dbraw/zinc/37/61/77/551376177.db2.gz ATYUTIUIODMQNU-UHFFFAOYSA-N 1 0 379.913 2.926 20 0 GFADRO C[C@H]([NH2+]CCN1CCc2sccc2C1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000132870458 551379754 /nfs/dbraw/zinc/37/97/54/551379754.db2.gz OHWYFPQSBLWOSV-ZDUSSCGKSA-N 1 0 382.526 3.000 20 0 GFADRO C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)C1 ZINC000132856093 551379868 /nfs/dbraw/zinc/37/98/68/551379868.db2.gz MQBDOUXIROOIMV-CJNGLKHVSA-N 1 0 384.307 2.808 20 0 GFADRO O=C([C@@H]1COc2ccc(Br)cc21)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000135481750 551387831 /nfs/dbraw/zinc/38/78/31/551387831.db2.gz ATDVIVGRIHXFOM-XJKSGUPXSA-N 1 0 379.298 2.869 20 0 GFADRO O=C([C@H]1COc2ccc(Br)cc21)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000135481729 551387850 /nfs/dbraw/zinc/38/78/50/551387850.db2.gz ATDVIVGRIHXFOM-CJNGLKHVSA-N 1 0 379.298 2.869 20 0 GFADRO CN(Cc1csc(-c2cccc(Br)c2)n1)CC(C)(CO)CO ZINC000135876100 551389355 /nfs/dbraw/zinc/38/93/55/551389355.db2.gz FRJGRRKXFRYUMB-UHFFFAOYSA-N 1 0 385.327 2.995 20 0 GFADRO CCCOCC(=O)NC1CC[NH+](CCOc2ccc(Br)cc2)CC1 ZINC000136695633 551389854 /nfs/dbraw/zinc/38/98/54/551389854.db2.gz GKIPYILYAGBPML-UHFFFAOYSA-N 1 0 399.329 2.835 20 0 GFADRO C[C@@H](CNC(=O)c1ccc(Cl)c(NS(C)(=O)=O)c1)[N@@H+]1CCCC[C@@H]1C ZINC000140221838 551393389 /nfs/dbraw/zinc/39/33/89/551393389.db2.gz QWXGMDLWPTYPON-STQMWFEESA-N 1 0 387.933 2.704 20 0 GFADRO O=C(c1ccc(F)cc1I)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000141593494 551394328 /nfs/dbraw/zinc/39/43/28/551394328.db2.gz RMPFFGWYVVPHHM-LBPRGKRZSA-N 1 0 388.224 2.741 20 0 GFADRO O=C(/C=C/c1ccc(I)o1)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000142197641 551394697 /nfs/dbraw/zinc/39/46/97/551394697.db2.gz CBPXLWWKOZXXBB-PZBABLGHSA-N 1 0 386.233 2.594 20 0 GFADRO C[N@@H+]1CCC[C@@H](NC(=O)N2CCO[C@H](c3ccc(Br)cc3)C2)C1 ZINC000149985906 551399633 /nfs/dbraw/zinc/39/96/33/551399633.db2.gz MMMJRJRXTSCCLW-CVEARBPZSA-N 1 0 382.302 2.626 20 0 GFADRO Cc1cc(S(=O)(=O)NC[C@H](C)C[NH+]2CCCC2)sc1Br ZINC000150118264 551400179 /nfs/dbraw/zinc/40/01/79/551400179.db2.gz FFFOJHVEXCKGRZ-JTQLQIEISA-N 1 0 381.361 2.829 20 0 GFADRO CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)C[C@H]1CCC[NH2+]1 ZINC000150712280 551400795 /nfs/dbraw/zinc/40/07/95/551400795.db2.gz SGZDVTAMMKVMLO-SNVBAGLBSA-N 1 0 377.794 2.898 20 0 GFADRO C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)c1ccc(Br)s1 ZINC000150839455 551401985 /nfs/dbraw/zinc/40/19/85/551401985.db2.gz RKMFYQOJBVVPGC-UHFFFAOYSA-N 1 0 382.283 2.923 20 0 GFADRO C[NH+]1CCN(Cc2cccc(NC(=O)c3ccncc3Br)c2)CC1 ZINC000150831377 551402000 /nfs/dbraw/zinc/40/20/00/551402000.db2.gz ATBUPNDSEFKIRL-UHFFFAOYSA-N 1 0 389.297 2.844 20 0 GFADRO O[C@H](COc1cc(Cl)ccc1Cl)CN1CCN(c2cc[nH+]cc2)CC1 ZINC000151299156 551410896 /nfs/dbraw/zinc/41/08/96/551410896.db2.gz IEMGAEBFRYQSPN-INIZCTEOSA-N 1 0 382.291 2.950 20 0 GFADRO CC(C)COC[C@@H](O)C[NH2+][C@@H](C)c1ccc(I)cc1 ZINC000151455318 551413649 /nfs/dbraw/zinc/41/36/49/551413649.db2.gz SHTSFCHIMQVSLE-WFASDCNBSA-N 1 0 377.266 2.975 20 0 GFADRO CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](O)COc1cccc(Cl)c1Cl ZINC000151582104 551417065 /nfs/dbraw/zinc/41/70/65/551417065.db2.gz PQHRDMQYRWKEHE-JSGCOSHPSA-N 1 0 375.296 2.724 20 0 GFADRO Cc1ccc(Br)cc1S(=O)(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000151607555 551417543 /nfs/dbraw/zinc/41/75/43/551417543.db2.gz MAUOXDTZXQBVNM-AWEZNQCLSA-N 1 0 387.343 2.864 20 0 GFADRO O=S(=O)(Cc1ccccc1C(F)(F)F)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000151614042 551418005 /nfs/dbraw/zinc/41/80/05/551418005.db2.gz WDSHQKTWRYCBCB-AWEZNQCLSA-N 1 0 376.444 2.953 20 0 GFADRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+][C@H](C)c2ccc([S@](C)=O)cc2)cc1 ZINC000151909838 551423035 /nfs/dbraw/zinc/42/30/35/551423035.db2.gz KPUMAXAIDSNYLE-QWJLCTJOSA-N 1 0 380.535 2.744 20 0 GFADRO C[C@H](C[NH+]1CCCCC1)NC(=O)Nc1ccc(NS(C)(=O)=O)c(Cl)c1 ZINC000152169620 551427842 /nfs/dbraw/zinc/42/78/42/551427842.db2.gz HOAMJQHPDGVGJP-GFCCVEGCSA-N 1 0 388.921 2.707 20 0 GFADRO O=C(CC[N@@H+](CCO)Cc1cccnc1)Nc1ccc(Br)cc1F ZINC000152324619 551430727 /nfs/dbraw/zinc/43/07/27/551430727.db2.gz ATAMBIFUNVTXOR-UHFFFAOYSA-N 1 0 396.260 2.806 20 0 GFADRO C[C@H]1C[NH+](CCCNC(=O)c2c(F)cc(Br)cc2F)C[C@H](C)O1 ZINC000152626592 551436911 /nfs/dbraw/zinc/43/69/11/551436911.db2.gz SZAUERXGNGIXPE-QWRGUYRKSA-N 1 0 391.256 2.956 20 0 GFADRO CCNC(=O)N1CC[C@H]([NH2+]Cc2cc(Br)ccc2OC(F)F)C1 ZINC000152702106 551438488 /nfs/dbraw/zinc/43/84/88/551438488.db2.gz IFLNZFZQWGUIDL-LBPRGKRZSA-N 1 0 392.244 2.944 20 0 GFADRO CN(Cc1c(F)cccc1Cl)S(=O)(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000152881801 551441797 /nfs/dbraw/zinc/44/17/97/551441797.db2.gz NUEFMFYXNOOFOS-CXAGYDPISA-N 1 0 389.924 2.572 20 0 GFADRO O=S(=O)(c1ccc(Br)c(Cl)c1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000153075707 551446319 /nfs/dbraw/zinc/44/63/19/551446319.db2.gz IGOOPFJFSZLGDW-NSHDSACASA-N 1 0 393.734 2.961 20 0 GFADRO NC(=O)C1(C[NH2+][C@@H]2CCSc3ccc(Br)cc32)CCOCC1 ZINC000153173953 551447792 /nfs/dbraw/zinc/44/77/92/551447792.db2.gz QUWSNRAGCMWJPO-CYBMUJFWSA-N 1 0 385.327 2.858 20 0 GFADRO Cc1ccc(Br)c(C(=O)N2CCN(C[C@H]3CCCC[N@H+]3C)CC2)c1 ZINC000153263591 551449385 /nfs/dbraw/zinc/44/93/85/551449385.db2.gz IIVKAPYRSNAQDS-MRXNPFEDSA-N 1 0 394.357 3.000 20 0 GFADRO COc1ccccc1[C@H](C[NH2+][C@H](C)Cn1cc(Br)cn1)N(C)C ZINC000153305112 551450061 /nfs/dbraw/zinc/45/00/61/551450061.db2.gz ZXUNFRQBDUZCRZ-CJNGLKHVSA-N 1 0 381.318 2.935 20 0 GFADRO CN(C(=O)c1cnn(-c2ccc(Br)cc2)c1)[C@@H]1CCC[N@H+](C)C1 ZINC000153500575 551454421 /nfs/dbraw/zinc/45/44/21/551454421.db2.gz OSKNJFNTAIBTGY-MRXNPFEDSA-N 1 0 377.286 2.801 20 0 GFADRO C[C@@H]1CN(C(=O)c2ccc(I)cc2Cl)C[C@H](C)[NH2+]1 ZINC000153553241 551455660 /nfs/dbraw/zinc/45/56/60/551455660.db2.gz NTCRNKVPLALZNU-DTORHVGOSA-N 1 0 378.641 2.767 20 0 GFADRO C[C@H](CNC(=O)NC[C@@](C)(O)c1cccs1)N1CCc2sccc2C1 ZINC000153618263 551456897 /nfs/dbraw/zinc/45/68/97/551456897.db2.gz DGQPNPMUWZYWGJ-FZKQIMNGSA-N 1 0 379.551 2.763 20 0 GFADRO CCn1c(SCC(=O)N(C)[C@H]2CCC[N@H+](C)C2)nnc1-c1cccs1 ZINC000153670298 551458192 /nfs/dbraw/zinc/45/81/92/551458192.db2.gz PVDBZVWFALVDGH-ZDUSSCGKSA-N 1 0 379.555 2.671 20 0 GFADRO COc1cc(C(=O)N2CC[N@H+](C)C[C@@H]2C(C)C)cc(OC)c1Br ZINC000153888377 551462695 /nfs/dbraw/zinc/46/26/95/551462695.db2.gz GTVAFPMFTOGNOC-CYBMUJFWSA-N 1 0 385.302 2.879 20 0 GFADRO COCC[C@@H](Cc1cccc(Br)c1)C(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000153973159 551464191 /nfs/dbraw/zinc/46/41/91/551464191.db2.gz NKKMDVBRRLRFNH-LZWOXQAQSA-N 1 0 383.330 2.853 20 0 GFADRO CC[N@H+](Cc1ccc(Cl)c(Cl)c1)[C@@H](C)C(=O)N1CCN(C(C)=O)CC1 ZINC000154412243 551474635 /nfs/dbraw/zinc/47/46/35/551474635.db2.gz ASBXVCFHMZUJTE-ZDUSSCGKSA-N 1 0 386.323 2.895 20 0 GFADRO NC(=O)NC1CC[NH+](Cc2ccnc(-c3ccc(Br)cc3)n2)CC1 ZINC000154420039 551474669 /nfs/dbraw/zinc/47/46/69/551474669.db2.gz CAEMVQBOLGWUGN-UHFFFAOYSA-N 1 0 390.285 2.539 20 0 GFADRO CCC(CC)(C[NH3+])NC(=O)c1cc(S(=O)(=O)N(C)C(C)C)ccc1Cl ZINC000154429159 551474986 /nfs/dbraw/zinc/47/49/86/551474986.db2.gz TVHHKCYYFURHFW-UHFFFAOYSA-N 1 0 389.949 2.616 20 0 GFADRO C[NH+](C)C1(CNC(=O)c2c(F)cc(Br)cc2F)CCOCC1 ZINC000154893676 551485246 /nfs/dbraw/zinc/48/52/46/551485246.db2.gz ZZNVUWGUDNXLGX-UHFFFAOYSA-N 1 0 377.229 2.568 20 0 GFADRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)CNC(=O)c1ccc(Br)cc1 ZINC000154931415 551486114 /nfs/dbraw/zinc/48/61/14/551486114.db2.gz MIYYLSQLOQNCQN-INIZCTEOSA-N 1 0 396.329 2.560 20 0 GFADRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2ccncc2Br)[C@H](C)C1 ZINC000155090215 551491191 /nfs/dbraw/zinc/49/11/91/551491191.db2.gz BGKJJPGIOFLEBY-CZUORRHYSA-N 1 0 384.318 2.711 20 0 GFADRO CC[NH+]1CCC(N(C)S(=O)(=O)c2cc(F)ccc2Br)CC1 ZINC000155217674 551494511 /nfs/dbraw/zinc/49/45/11/551494511.db2.gz JQOJJNBHTCDXJA-UHFFFAOYSA-N 1 0 379.295 2.693 20 0 GFADRO CN(C(=O)c1c(F)cccc1I)C1CC[NH+](C)CC1 ZINC000155213901 551494671 /nfs/dbraw/zinc/49/46/71/551494671.db2.gz BSIPNOKBZWSLRF-UHFFFAOYSA-N 1 0 376.213 2.597 20 0 GFADRO C[C@@H]1CCC[N@H+](CCNS(=O)(=O)c2cc(F)ccc2Br)C1 ZINC000155340541 551497377 /nfs/dbraw/zinc/49/73/77/551497377.db2.gz OALJQGNGALOOIH-LLVKDONJSA-N 1 0 379.295 2.598 20 0 GFADRO CC(C)C[C@H](C[NH3+])NC(=O)c1cc(S(=O)(=O)NC(C)(C)C)ccc1Cl ZINC000155578774 551502973 /nfs/dbraw/zinc/50/29/73/551502973.db2.gz AGPPVFMJMZICMT-GFCCVEGCSA-N 1 0 389.949 2.520 20 0 GFADRO CCC[NH+]1CCC(CNS(=O)(=O)c2cc(F)ccc2Br)CC1 ZINC000155778480 551507441 /nfs/dbraw/zinc/50/74/41/551507441.db2.gz JRMHIDUIYJNDLM-UHFFFAOYSA-N 1 0 393.322 2.989 20 0 GFADRO CC[C@H](C)[C@H]([NH3+])C(=O)N[C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000155768239 551507595 /nfs/dbraw/zinc/50/75/95/551507595.db2.gz XJGNIYWBIGIHNZ-GAFUQQFSSA-N 1 0 378.826 2.822 20 0 GFADRO [NH3+]C[C@H](NS(=O)(=O)c1ccc(F)cc1Br)C1CCCCC1 ZINC000155818066 551508514 /nfs/dbraw/zinc/50/85/14/551508514.db2.gz CHJPXNPBPSIOHJ-ZDUSSCGKSA-N 1 0 379.295 2.774 20 0 GFADRO CC1CC[NH+](CCCNC(=O)c2cncc(I)c2)CC1 ZINC000156134776 551515615 /nfs/dbraw/zinc/51/56/15/551515615.db2.gz FUKRGHKRUZYNKT-UHFFFAOYSA-N 1 0 387.265 2.538 20 0 GFADRO C[C@@H]1CN(S(=O)(=O)c2c(Cl)cc(F)cc2Br)[C@H](C)C[NH2+]1 ZINC000156230068 551517736 /nfs/dbraw/zinc/51/77/36/551517736.db2.gz ZCPIHNRRBNOVIL-HTQZYQBOSA-N 1 0 385.686 2.613 20 0 GFADRO Cc1cccc(S(=O)(=O)N(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)c1Br ZINC000156345446 551520426 /nfs/dbraw/zinc/52/04/26/551520426.db2.gz GWTMARZIAIREEV-STQMWFEESA-N 1 0 375.332 2.718 20 0 GFADRO C[C@@H]1CCCN(C(=O)Cc2csc(NC(=O)c3cccs3)n2)[C@H]1C[NH3+] ZINC000156951856 551530866 /nfs/dbraw/zinc/53/08/66/551530866.db2.gz BMZQPEDGRZLVEM-YPMHNXCESA-N 1 0 378.523 2.585 20 0 GFADRO C[C@@H]1CCCN(C(=O)c2ccc(F)cc2I)[C@@H]1C[NH3+] ZINC000156952783 551531401 /nfs/dbraw/zinc/53/14/01/551531401.db2.gz LAVXCFPTBCSHOE-NOZJJQNGSA-N 1 0 376.213 2.630 20 0 GFADRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)CNC(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000157330531 551536998 /nfs/dbraw/zinc/53/69/98/551536998.db2.gz JFLQWYDHLUHBRX-CJNGLKHVSA-N 1 0 384.307 2.666 20 0 GFADRO O=S(=O)(C1CC1)N1CCC([NH2+]Cc2ccc(F)cc2C(F)(F)F)CC1 ZINC000157497666 551538421 /nfs/dbraw/zinc/53/84/21/551538421.db2.gz QFQNDZRYPPWYLF-UHFFFAOYSA-N 1 0 380.407 2.891 20 0 GFADRO CCOCCO[C@H]1CC[N@H+](CCC(=O)Nc2ccc(Br)cc2)C1 ZINC000157670830 551540794 /nfs/dbraw/zinc/54/07/94/551540794.db2.gz ASQQQIVICOMHFZ-INIZCTEOSA-N 1 0 385.302 2.905 20 0 GFADRO CCS(=O)(=O)N1CCC([NH2+]Cc2ccc(C)cc2Br)CC1 ZINC000157750619 551542300 /nfs/dbraw/zinc/54/23/00/551542300.db2.gz OPPGSUMZKCCSIA-UHFFFAOYSA-N 1 0 375.332 2.661 20 0 GFADRO CC[N@H+](CC1CC1)[C@@H](C)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000157821114 551542712 /nfs/dbraw/zinc/54/27/12/551542712.db2.gz JOTBLOUIMYAPSL-LBPRGKRZSA-N 1 0 387.933 2.649 20 0 GFADRO CCOCCO[C@H]1CC[N@H+](CCC(=O)Nc2ccccc2Br)C1 ZINC000157799253 551542829 /nfs/dbraw/zinc/54/28/29/551542829.db2.gz LGIQJPFZQITJQH-AWEZNQCLSA-N 1 0 385.302 2.905 20 0 GFADRO C[NH+](C)C1CCN(CCNc2ccnc3cc(Br)cnc32)CC1 ZINC000157859751 551544072 /nfs/dbraw/zinc/54/40/72/551544072.db2.gz RLIKNMSNIRZIRV-UHFFFAOYSA-N 1 0 378.318 2.830 20 0 GFADRO O=C(NCCCC[N@H+]1CCC[C@H]1CO)Nc1ccc(F)cc1Br ZINC000157944962 551545176 /nfs/dbraw/zinc/54/51/76/551545176.db2.gz XPGHADFGLQNVNB-ZDUSSCGKSA-N 1 0 388.281 2.947 20 0 GFADRO CN(CC[NH2+]Cc1ccccc1Br)S(=O)(=O)c1cccs1 ZINC000158360218 551550309 /nfs/dbraw/zinc/55/03/09/551550309.db2.gz NPEYCPLRKWPUSB-UHFFFAOYSA-N 1 0 389.340 2.921 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)c(C)c1C(=O)N1CC([NH+](C)C)C1 ZINC000158358946 551550643 /nfs/dbraw/zinc/55/06/43/551550643.db2.gz FBXDTCJAXWAADC-UHFFFAOYSA-N 1 0 377.286 2.638 20 0 GFADRO CC[C@H](C)[N@H+](C)CCNC(=O)c1cc(=O)[nH]c2ccc(Br)cc21 ZINC000158397274 551551896 /nfs/dbraw/zinc/55/18/96/551551896.db2.gz MQXNGQBNLSUCEH-NSHDSACASA-N 1 0 380.286 2.751 20 0 GFADRO C[NH2+]C[C@@H]1CCCN(C(=O)C2(c3ccc(Br)cc3)CCOCC2)C1 ZINC000159083653 551560950 /nfs/dbraw/zinc/56/09/50/551560950.db2.gz CIMPIZLHIDVVLM-HNNXBMFYSA-N 1 0 395.341 2.955 20 0 GFADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)c1ccc2cc(Br)ccc2c1 ZINC000161775454 551598393 /nfs/dbraw/zinc/59/83/93/551598393.db2.gz IRXZSGZCEFNONS-AWEZNQCLSA-N 1 0 390.325 2.968 20 0 GFADRO CC(C)[C@H](CCO)[NH2+][C@H](C)C(=O)Nc1cccc(I)c1 ZINC000161792787 551598979 /nfs/dbraw/zinc/59/89/79/551598979.db2.gz WJMPWGYPLPMIJN-RISCZKNCSA-N 1 0 390.265 2.615 20 0 GFADRO C[NH+](C)C1(CNC(=O)CSc2cccc(Br)c2)CCOCC1 ZINC000162839370 551613245 /nfs/dbraw/zinc/61/32/45/551613245.db2.gz PWVYZCMDWJZKCG-UHFFFAOYSA-N 1 0 387.343 2.768 20 0 GFADRO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)C[NH2+][C@H](C)[C@@H]1CCOC1 ZINC000162808578 551613254 /nfs/dbraw/zinc/61/32/54/551613254.db2.gz IOQWYKBUWXTFDG-NXEZZACHSA-N 1 0 375.252 2.733 20 0 GFADRO COCCC[NH+]1CCC(NC(=O)[C@H](O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000162966736 551614520 /nfs/dbraw/zinc/61/45/20/551614520.db2.gz QKUALWHIUYHVGS-MRXNPFEDSA-N 1 0 375.296 2.644 20 0 GFADRO C[C@@H](C(=O)N(C)CCCN1CC[NH+](C)CC1)c1ccc(Br)cc1 ZINC000163129986 551616831 /nfs/dbraw/zinc/61/68/31/551616831.db2.gz YRPJBLYVBOAZLG-OAHLLOKOSA-N 1 0 382.346 2.649 20 0 GFADRO COCCN1CCC[C@@H]1C[NH2+][C@@H](C)CC(=O)Nc1ccc(Br)cc1 ZINC000163426186 551619696 /nfs/dbraw/zinc/61/96/96/551619696.db2.gz OAJBGIKLOMYRBX-WMLDXEAASA-N 1 0 398.345 2.867 20 0 GFADRO C[C@H](C(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1)c1ccc(Br)cc1 ZINC000163695249 551621515 /nfs/dbraw/zinc/62/15/15/551621515.db2.gz IVVGDYIIANFYRC-GJZGRUSLSA-N 1 0 381.314 2.733 20 0 GFADRO COc1ccc(C[NH2+][C@H](C)Cn2cc(Br)cn2)c(OC)c1OC ZINC000164561462 551626681 /nfs/dbraw/zinc/62/66/81/551626681.db2.gz OSVQVVQQOUTAML-LLVKDONJSA-N 1 0 384.274 2.850 20 0 GFADRO C[C@@H](CNC(=O)[C@H](C)Oc1cc(Cl)cc(Cl)c1)C[NH+]1CCN(C)CC1 ZINC000170738906 551638779 /nfs/dbraw/zinc/63/87/79/551638779.db2.gz MUFVJKSTCMDYLF-KBPBESRZSA-N 1 0 388.339 2.760 20 0 GFADRO CC[C@@H](C)[N@H+](C)CCNC(=O)NCC(=O)Nc1cc(Cl)ccc1Cl ZINC000170755942 551639412 /nfs/dbraw/zinc/63/94/12/551639412.db2.gz VAEOPMKOXUMIPQ-LLVKDONJSA-N 1 0 375.300 2.961 20 0 GFADRO C[NH+]1CCC(CCNC(=O)NCC(=O)Nc2cc(Cl)ccc2Cl)CC1 ZINC000170882406 551642313 /nfs/dbraw/zinc/64/23/13/551642313.db2.gz MGWHTOQWBSRARZ-UHFFFAOYSA-N 1 0 387.311 2.963 20 0 GFADRO CNC(=O)[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc(Br)cc1F ZINC000170910096 551643052 /nfs/dbraw/zinc/64/30/52/551643052.db2.gz OQXRRBSROIUYSQ-AWEZNQCLSA-N 1 0 386.265 2.517 20 0 GFADRO CC(C)[N@H+](C)CCNC(=O)NCCc1ccc(I)s1 ZINC000171204671 551649583 /nfs/dbraw/zinc/64/95/83/551649583.db2.gz LEOSYUWOWGZNHD-UHFFFAOYSA-N 1 0 395.310 2.535 20 0 GFADRO Cc1c(Br)cccc1NC(=O)C(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000171225165 551650385 /nfs/dbraw/zinc/65/03/85/551650385.db2.gz DGJSYJDOBRSSJC-GFCCVEGCSA-N 1 0 382.302 2.687 20 0 GFADRO C[C@@H](CNC(=O)Nc1cccc(S(=O)(=O)C(F)F)c1)C[NH+]1CCCC1 ZINC000171272864 551651388 /nfs/dbraw/zinc/65/13/88/551651388.db2.gz UPPDEUSLPRBARS-LBPRGKRZSA-N 1 0 375.441 2.536 20 0 GFADRO C[C@@H](NC(=O)C(=O)Nc1ccc(Br)cc1Cl)[C@@H]1CCC[NH2+]C1 ZINC000415353334 563769464 /nfs/dbraw/zinc/76/94/64/563769464.db2.gz LMSACHWULYVEQL-NXEZZACHSA-N 1 0 388.693 2.545 20 0 GFADRO COc1ccc(CC[NH2+][C@@H](C(N)=O)c2ccc(Br)cc2)cc1F ZINC000171759050 551662676 /nfs/dbraw/zinc/66/26/76/551662676.db2.gz XROXMMAPYDNJTQ-MRXNPFEDSA-N 1 0 381.245 2.956 20 0 GFADRO CC1(C)CN(CC[NH2+]Cc2cnn(-c3ccc(Br)cc3)c2)CCO1 ZINC000171766648 551662822 /nfs/dbraw/zinc/66/28/22/551662822.db2.gz ICYXNSFFAUUAJS-UHFFFAOYSA-N 1 0 393.329 2.835 20 0 GFADRO O=C(NCCC[NH+]1CCC(O)CC1)C1(c2ccc(Br)cc2)CCC1 ZINC000172312949 551676201 /nfs/dbraw/zinc/67/62/01/551676201.db2.gz TXJMLJOCQKJCHC-UHFFFAOYSA-N 1 0 395.341 2.834 20 0 GFADRO O=C(c1cc(F)cc(Br)c1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000172463377 551680036 /nfs/dbraw/zinc/68/00/36/551680036.db2.gz BIBHWGAVDGKCOJ-UHFFFAOYSA-N 1 0 385.277 2.773 20 0 GFADRO O=S(=O)(/C=C/c1ccc(Br)cc1)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000173024050 551692661 /nfs/dbraw/zinc/69/26/61/551692661.db2.gz AYGYTYZROIBPSN-PLWJUESGSA-N 1 0 385.327 2.824 20 0 GFADRO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)Nc1cc(Cl)cc(C)c1Br ZINC000415495262 563779817 /nfs/dbraw/zinc/77/98/17/563779817.db2.gz NFSKHVRPSAXRTB-NSHDSACASA-N 1 0 388.693 2.560 20 0 GFADRO C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)Nc1cc(Br)c(F)cc1F ZINC000415548382 563783793 /nfs/dbraw/zinc/78/37/93/563783793.db2.gz ACWVSNOPHLCDDK-JVXZTZIISA-N 1 0 378.217 2.962 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)Nc2ccc(Br)cc2OC(F)(F)F)CCO1 ZINC000415584289 563785691 /nfs/dbraw/zinc/78/56/91/563785691.db2.gz SJIHSYYEORUYGD-SECBINFHSA-N 1 0 398.179 2.539 20 0 GFADRO CC[NH+](CC)[C@@H]1CCN(S(=O)(=O)c2ccc(F)c(Br)c2)C1 ZINC000173204945 552079394 /nfs/dbraw/zinc/07/93/94/552079394.db2.gz JNCIUOXWKRNWGG-LLVKDONJSA-N 1 0 379.295 2.693 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2ccc(F)cc2Br)[C@H](C)C1 ZINC000173257825 552081235 /nfs/dbraw/zinc/08/12/35/552081235.db2.gz JDYSZUWPMNRULR-RISCZKNCSA-N 1 0 393.322 2.939 20 0 GFADRO C[C@@H](C(=O)N(C)CCCN1CC[NH+](C)CC1)c1ccc(Br)s1 ZINC000173295272 552082193 /nfs/dbraw/zinc/08/21/93/552082193.db2.gz QQFZUGUPFRWPNT-CYBMUJFWSA-N 1 0 388.375 2.710 20 0 GFADRO O=C(c1c[nH]c(=O)c(Br)c1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000173514700 552087290 /nfs/dbraw/zinc/08/72/90/552087290.db2.gz BQQUBMHPKDCSDV-AWEZNQCLSA-N 1 0 396.329 2.866 20 0 GFADRO CN(CC[C@@H]1CCCC[N@@H+]1C)[C@H](C(N)=O)c1ccc(Br)cc1F ZINC000173640113 552089729 /nfs/dbraw/zinc/08/97/29/552089729.db2.gz KYUCRKDTNLGFQI-BBRMVZONSA-N 1 0 386.309 2.921 20 0 GFADRO O[C@H](COc1ccc(Cl)cc1Cl)C[N@@H+]1CCC[C@@H]1CN1CCOCC1 ZINC000174022845 552096765 /nfs/dbraw/zinc/09/67/65/552096765.db2.gz AZDFPEUUPKLUSV-CVEARBPZSA-N 1 0 389.323 2.530 20 0 GFADRO Brc1cc2c(cc1CN1CCC[C@@H]1CN1CCOCC1)OCCO2 ZINC000174021021 552096978 /nfs/dbraw/zinc/09/69/78/552096978.db2.gz DLUZKTOVEJOIEI-OAHLLOKOSA-N 1 0 397.313 2.517 20 0 GFADRO COCCOC[C@@H]1CC[N@H+](CCC(=O)Nc2ccc(Br)cc2)C1 ZINC000174116438 552099647 /nfs/dbraw/zinc/09/96/47/552099647.db2.gz LXGTYOZUKUWDLG-CQSZACIVSA-N 1 0 385.302 2.763 20 0 GFADRO CC[C@H](CO)[NH+]1CCN(Cc2ncc(-c3cccc(Br)c3)o2)CC1 ZINC000174132408 552100061 /nfs/dbraw/zinc/10/00/61/552100061.db2.gz ZWJVJMNLTHOFHH-MRXNPFEDSA-N 1 0 394.313 2.993 20 0 GFADRO CC[NH+](CC)[C@H]1CCN(C(=O)c2ccc(F)cc2I)C1 ZINC000174135514 552100254 /nfs/dbraw/zinc/10/02/54/552100254.db2.gz NRESEHZTXJBQGT-LBPRGKRZSA-N 1 0 390.240 2.987 20 0 GFADRO CCS[C@@H]1CC[C@H]([N@H+](C)CCOc2ccc(S(=O)(=O)N(C)C)cc2)C1 ZINC000174350612 552103131 /nfs/dbraw/zinc/10/31/31/552103131.db2.gz UOYOLPKZENAPLN-DOTOQJQBSA-N 1 0 386.583 2.922 20 0 GFADRO C[N@H+]1[C@@H]2CC[C@H]1CCN(C(=O)/C=C/c1ccc(I)o1)C2 ZINC000174644933 552107272 /nfs/dbraw/zinc/10/72/72/552107272.db2.gz UXYWCRFFOQULJB-GAEWNOSXSA-N 1 0 386.233 2.593 20 0 GFADRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)NCc1ccc(Br)cc1 ZINC000174781612 552109859 /nfs/dbraw/zinc/10/98/59/552109859.db2.gz PAKPTMDZERXMPP-INIZCTEOSA-N 1 0 384.318 2.701 20 0 GFADRO O=C(CSc1n[n-]c(=S)s1)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000174972592 552113142 /nfs/dbraw/zinc/11/31/42/552113142.db2.gz OVMZKRIPIYJLGY-UHFFFAOYSA-N 1 0 380.564 2.857 20 0 GFADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)Nc1ccc(Br)c(OC)c1 ZINC000175016193 552113724 /nfs/dbraw/zinc/11/37/24/552113724.db2.gz SXYJIVXAJHPJRQ-ZDUSSCGKSA-N 1 0 386.290 2.690 20 0 GFADRO Cc1cc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](CC(N)=O)C2)ccc1Br ZINC000175224495 552118534 /nfs/dbraw/zinc/11/85/34/552118534.db2.gz CGXGRQKVIADGSD-CHWSQXEVSA-N 1 0 382.302 2.672 20 0 GFADRO Cc1c(C(=O)N2CC[NH2+]C(C)(C)C2)cnn1-c1ccc(Br)cc1 ZINC000175407006 552121162 /nfs/dbraw/zinc/12/11/62/552121162.db2.gz RCXJXAZMWKJGAD-UHFFFAOYSA-N 1 0 377.286 2.767 20 0 GFADRO COCC[NH+]1CCC(NC(=O)CCc2ccc(Br)c(C)c2)CC1 ZINC000175878516 552131483 /nfs/dbraw/zinc/13/14/83/552131483.db2.gz PHKKYEWNGDDUAL-UHFFFAOYSA-N 1 0 383.330 2.917 20 0 GFADRO O=C(NCCc1cc(Cl)cc(Cl)c1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000176007262 552134244 /nfs/dbraw/zinc/13/42/44/552134244.db2.gz OQYLOUXCBMVSGC-OAHLLOKOSA-N 1 0 386.323 2.900 20 0 GFADRO O=C(c1cc(=O)[nH]c2c(Br)cccc12)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000176107667 552136129 /nfs/dbraw/zinc/13/61/29/552136129.db2.gz BOYBADNDYZMYRD-LBPRGKRZSA-N 1 0 390.281 2.601 20 0 GFADRO C[C@H](CNC(=O)c1cc(Cl)ccc1OC(F)F)C[NH+]1CCN(C)CC1 ZINC000176380590 552139942 /nfs/dbraw/zinc/13/99/42/552139942.db2.gz UPNZCHHPODTGNC-GFCCVEGCSA-N 1 0 375.847 2.555 20 0 GFADRO C[N@@H+](Cc1ccccc1OC(F)(F)F)C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000176627234 552142358 /nfs/dbraw/zinc/14/23/58/552142358.db2.gz FSMSJEWQXOYZBJ-CYBMUJFWSA-N 1 0 380.432 2.689 20 0 GFADRO C[C@H](C[NH2+]C1(c2ccc(Br)cc2)CCOCC1)CS(C)(=O)=O ZINC000176969250 552148318 /nfs/dbraw/zinc/14/83/18/552148318.db2.gz OOCNOHAMRGOLCP-CYBMUJFWSA-N 1 0 390.343 2.725 20 0 GFADRO C[C@H]1C[C@H](NC(=O)c2cc(=O)[nH]c3c(Br)cccc23)C[N@@H+]1C1CC1 ZINC000177223408 552151933 /nfs/dbraw/zinc/15/19/33/552151933.db2.gz DIOCTZMSPFYHFX-QWRGUYRKSA-N 1 0 390.281 2.646 20 0 GFADRO O[C@@H](C[NH2+]Cc1cnn2ccccc12)COc1ccccc1Br ZINC000178454968 552170911 /nfs/dbraw/zinc/17/09/11/552170911.db2.gz VHBIQKLNHPQVJJ-AWEZNQCLSA-N 1 0 376.254 2.626 20 0 GFADRO C[C@H](Cn1cc(Br)cn1)[NH2+]CCCc1nnc2n1CCCCC2 ZINC000178526268 552172116 /nfs/dbraw/zinc/17/21/16/552172116.db2.gz ZTSCRXDHZQAPJQ-CYBMUJFWSA-N 1 0 381.322 2.574 20 0 GFADRO [NH3+]C[C@H]1CCN(C(=O)[C@H]2CCCN(C(=O)c3ccc(Cl)c(Cl)c3)C2)C1 ZINC000178577544 552172407 /nfs/dbraw/zinc/17/24/07/552172407.db2.gz PGLFRSYIJFXXPX-OCCSQVGLSA-N 1 0 384.307 2.653 20 0 GFADRO C[C@@H](C(=O)Nc1ccc(Cl)c(Cl)c1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000178828765 552176687 /nfs/dbraw/zinc/17/66/87/552176687.db2.gz WEGAXNARDTUFGT-UONOGXRCSA-N 1 0 386.323 2.975 20 0 GFADRO O=S(=O)(NCC[NH2+]Cc1cnc(-c2ccccc2)[nH]1)c1ccc(Cl)s1 ZINC000178968524 552180848 /nfs/dbraw/zinc/18/08/48/552180848.db2.gz BRFFGARHEHIRPD-UHFFFAOYSA-N 1 0 396.925 2.860 20 0 GFADRO C[NH2+]C[C@H]1CCN(C(=O)c2cc(Cl)ccc2I)C1 ZINC000178980112 552181107 /nfs/dbraw/zinc/18/11/07/552181107.db2.gz LWPWLVNVLRRMCE-SECBINFHSA-N 1 0 378.641 2.626 20 0 GFADRO C[NH2+]C[C@@H]1CCN(C(=O)c2cc(Cl)ccc2I)C1 ZINC000178980106 552181400 /nfs/dbraw/zinc/18/14/00/552181400.db2.gz LWPWLVNVLRRMCE-VIFPVBQESA-N 1 0 378.641 2.626 20 0 GFADRO CN(C(=O)CCc1ncc(-c2ccccc2Br)o1)[C@H]1CC[NH2+]C1 ZINC000179071392 552183356 /nfs/dbraw/zinc/18/33/56/552183356.db2.gz YFOBGLVTPXCSDG-LBPRGKRZSA-N 1 0 378.270 2.857 20 0 GFADRO C[C@H](Cn1cc(Br)cn1)[NH2+][C@H]1CCCN(c2ccccc2F)C1=O ZINC000179498673 552195205 /nfs/dbraw/zinc/19/52/05/552195205.db2.gz OIRUGNHRPXYCAT-DOMZBBRYSA-N 1 0 395.276 2.958 20 0 GFADRO O=C(NCCCC[N@H+]1CCC[C@@H]1CO)c1ccc(C(F)(F)F)nc1Cl ZINC000179603301 552197610 /nfs/dbraw/zinc/19/76/10/552197610.db2.gz UJGUCXRQRGIINZ-LLVKDONJSA-N 1 0 379.810 2.721 20 0 GFADRO CC[C@@](C)(COc1ncccc1Cl)[NH2+]C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000179626558 552198309 /nfs/dbraw/zinc/19/83/09/552198309.db2.gz QUFLKBBVSFGNHY-PBHICJAKSA-N 1 0 389.949 2.544 20 0 GFADRO COCCC[C@@H]([NH2+]CCNC(=O)c1ccn[nH]1)c1ccc(Br)cc1 ZINC000180218927 552217874 /nfs/dbraw/zinc/21/78/74/552217874.db2.gz CNDBPZPTUSGILX-OAHLLOKOSA-N 1 0 395.301 2.660 20 0 GFADRO C[NH+](C)C1CCN(C(=O)Nc2cccc(F)c2I)CC1 ZINC000180282001 552220835 /nfs/dbraw/zinc/22/08/35/552220835.db2.gz QCZZVNKMYFPWTJ-UHFFFAOYSA-N 1 0 391.228 2.988 20 0 GFADRO Cc1nn(C)c(C)c1CCC[NH2+][C@@H](C(N)=O)c1cccc(Br)c1 ZINC000180603842 552230983 /nfs/dbraw/zinc/23/09/83/552230983.db2.gz VKXPLYYEPGSNLG-MRXNPFEDSA-N 1 0 379.302 2.548 20 0 GFADRO C[C@H](CN1CCOCC1)[NH+]1CCN([C@@H](C)c2ccc(Br)cc2)CC1 ZINC000180687699 552232676 /nfs/dbraw/zinc/23/26/76/552232676.db2.gz DNCKOEXAPVHWBZ-SJORKVTESA-N 1 0 396.373 2.848 20 0 GFADRO CCS(=O)(=O)C[C@H](C)[NH2+][C@H](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000180823982 552236592 /nfs/dbraw/zinc/23/65/92/552236592.db2.gz ZTWIFNWYMUMPEF-NEPJUHHUSA-N 1 0 380.432 2.835 20 0 GFADRO CCS(=O)(=O)C[C@H](C)[NH2+][C@@H](C)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000180826661 552237309 /nfs/dbraw/zinc/23/73/09/552237309.db2.gz IUOJRUOETMAJOU-GJZGRUSLSA-N 1 0 387.567 2.877 20 0 GFADRO C[C@H]([NH2+][C@H]1CCN(c2cnn(C)c2)C1=O)c1ccc(F)c(Br)c1 ZINC000180963155 552241429 /nfs/dbraw/zinc/24/14/29/552241429.db2.gz MITZDMLPYHXCTL-BONVTDFDSA-N 1 0 381.249 2.778 20 0 GFADRO C[C@@H]([NH2+][C@H]1CC(=O)N(CCN2CCOCC2)C1)c1cccc(Cl)c1Cl ZINC000181039159 552243727 /nfs/dbraw/zinc/24/37/27/552243727.db2.gz DFRVPAJUYCIHQL-KGLIPLIRSA-N 1 0 386.323 2.577 20 0 GFADRO CSCC[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)NCCCC[NH3+] ZINC000181087420 552245890 /nfs/dbraw/zinc/24/58/90/552245890.db2.gz FVWDUEQKZAPANR-AWEZNQCLSA-N 1 0 392.352 2.700 20 0 GFADRO C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@H]1CC(=O)N(C2CC2)C1 ZINC000181219487 552250228 /nfs/dbraw/zinc/25/02/28/552250228.db2.gz IMAUZJDCJHZVDD-FZMZJTMJSA-N 1 0 380.286 2.519 20 0 GFADRO CCNC(=O)N1CC[C@@H]([NH2+][C@@H](C)CC(=O)Nc2ccc(Br)cc2)C1 ZINC000181332144 552253312 /nfs/dbraw/zinc/25/33/12/552253312.db2.gz BJLDOYAAZHOIRR-SWLSCSKDSA-N 1 0 397.317 2.560 20 0 GFADRO C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]C[C@@H]1CCCS1(=O)=O ZINC000181377956 552254904 /nfs/dbraw/zinc/25/49/04/552254904.db2.gz RULARFWWEYKCNH-RYUDHWBXSA-N 1 0 378.416 2.589 20 0 GFADRO COc1cc(NCC[NH2+][C@H](C)Cn2cc(Br)cn2)cc(OC)c1 ZINC000181603968 552262075 /nfs/dbraw/zinc/26/20/75/552262075.db2.gz XAUXPPUFGKVOSO-GFCCVEGCSA-N 1 0 383.290 2.753 20 0 GFADRO C[C@@H]([NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1)c1cc(Cl)ccc1OC(F)F ZINC000181682790 552265218 /nfs/dbraw/zinc/26/52/18/552265218.db2.gz YSWMGQCCYJSWAX-MNOVXSKESA-N 1 0 382.860 2.874 20 0 GFADRO COc1cc([C@H](C)[NH2+]C[C@H]2CCN(S(C)(=O)=O)C2)ccc1SC(F)F ZINC000181681772 552265225 /nfs/dbraw/zinc/26/52/25/552265225.db2.gz FRSAMRRBJTWLAX-NWDGAFQWSA-N 1 0 394.509 2.942 20 0 GFADRO O=S1(=O)CCC(C[NH2+][C@@H]2CCc3c2c(Br)ccc3F)CC1 ZINC000181760787 552266969 /nfs/dbraw/zinc/26/69/69/552266969.db2.gz MJOCTVCOBGNVJR-CQSZACIVSA-N 1 0 376.291 2.990 20 0 GFADRO Cc1ccc(Cl)cc1NC(=O)CN[C@H](CS(C)(=O)=O)c1ccccc1 ZINC000181774947 552267592 /nfs/dbraw/zinc/26/75/92/552267592.db2.gz WTSKPAAYJARGOU-QGZVFWFLSA-N 1 0 380.897 2.962 20 0 GFADRO CC[C@@H](CO)[NH+]1CCN(CCCc2ccc(Br)cc2OC)CC1 ZINC000181924801 552271269 /nfs/dbraw/zinc/27/12/69/552271269.db2.gz XYMPIDYTWWCGDD-KRWDZBQOSA-N 1 0 385.346 2.779 20 0 GFADRO COc1ccc([C@H](C)[NH2+]Cc2cc(=O)n3nccc3[nH]2)cc1Br ZINC000182063700 552274480 /nfs/dbraw/zinc/27/44/80/552274480.db2.gz STXPPKUZLXPZNB-JTQLQIEISA-N 1 0 377.242 2.645 20 0 GFADRO CC[C@H]([NH2+]CC(=O)Nc1ccc(I)cc1)[C@H]1CCCO1 ZINC000182351077 552281221 /nfs/dbraw/zinc/28/12/21/552281221.db2.gz UYVMOQZCNKQZBA-UONOGXRCSA-N 1 0 388.249 2.777 20 0 GFADRO O=C(NCCNc1cccc(Br)c1)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000182368149 552282200 /nfs/dbraw/zinc/28/22/00/552282200.db2.gz OVZBTARKQHDJLJ-CYBMUJFWSA-N 1 0 381.318 2.645 20 0 GFADRO C[C@@H](C[S@](C)=O)NC(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000182533212 552286745 /nfs/dbraw/zinc/28/67/45/552286745.db2.gz XZQJHAHDHDFZRC-SXBQZSJRSA-N 1 0 385.961 2.618 20 0 GFADRO COC(=O)c1cc(NC(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)ccc1Br ZINC000182633850 552289563 /nfs/dbraw/zinc/28/95/63/552289563.db2.gz KTZXDQQDDGYGLM-CYBMUJFWSA-N 1 0 394.269 2.714 20 0 GFADRO CCC[N@H+](CCc1cc(Cl)c2c(c1)OCCCO2)[C@@H]1CCS(=O)(=O)C1 ZINC000182680519 552290708 /nfs/dbraw/zinc/29/07/08/552290708.db2.gz HSBLEJMCFLJPCZ-OAHLLOKOSA-N 1 0 387.929 2.943 20 0 GFADRO C[C@@H](CCNC(=O)c1ccc(Cl)c(NS(C)(=O)=O)c1)[NH+]1CCCCC1 ZINC000183143731 552301326 /nfs/dbraw/zinc/30/13/26/552301326.db2.gz QWHBBNXPJFZIDE-ZDUSSCGKSA-N 1 0 387.933 2.706 20 0 GFADRO COC(=O)C1(C[NH2+][C@@H](C(N)=O)c2cccc(Br)c2)CCCCC1 ZINC000183168428 552301956 /nfs/dbraw/zinc/30/19/56/552301956.db2.gz OKBVHKFKLPUDBZ-CQSZACIVSA-N 1 0 383.286 2.689 20 0 GFADRO CS(=O)(=O)[C@@H]1CCCC[C@@H]1[NH2+]CCOc1ccc(Br)cc1 ZINC000183193318 552302728 /nfs/dbraw/zinc/30/27/28/552302728.db2.gz UIORJBUICPNJIK-LSDHHAIUSA-N 1 0 376.316 2.773 20 0 GFADRO CC1(C)CN(CCNC(=O)c2cccc(Br)c2Cl)CCO1 ZINC000183576992 552313350 /nfs/dbraw/zinc/31/33/50/552313350.db2.gz ARKVBFXLIPDGRM-UHFFFAOYSA-N 1 0 375.694 2.943 20 0 GFADRO Cc1cc2cc(C(=O)NC[C@@H](C)N3CC[NH+](C)CC3)oc2c(Br)c1 ZINC000183598546 552313840 /nfs/dbraw/zinc/31/38/40/552313840.db2.gz MEKDGBJDSKERDP-CYBMUJFWSA-N 1 0 394.313 2.869 20 0 GFADRO C[C@H](C[NH2+]Cc1cn(-c2ccc(Cl)c(Cl)c2)nn1)CN1CCOCC1 ZINC000183801798 552319691 /nfs/dbraw/zinc/31/96/91/552319691.db2.gz AJVNWDYRZVMXAH-CYBMUJFWSA-N 1 0 384.311 2.632 20 0 GFADRO CN1CC[NH+](CCC(C)(C)NC(=O)Nc2ccc(Br)cc2)CC1 ZINC000183888002 552321500 /nfs/dbraw/zinc/32/15/00/552321500.db2.gz BFAXAWRVWUEKFO-UHFFFAOYSA-N 1 0 383.334 2.987 20 0 GFADRO Nc1ccc(F)c(NC(=O)CC[NH2+][C@@H](CO)c2cccc(Br)c2)c1 ZINC000183904464 552322240 /nfs/dbraw/zinc/32/22/40/552322240.db2.gz UPPUGHXGAACGQR-INIZCTEOSA-N 1 0 396.260 2.822 20 0 GFADRO CN1CC[NH+](CCC(C)(C)NC(=O)CCc2ccc(Br)cc2)CC1 ZINC000184196635 552329446 /nfs/dbraw/zinc/32/94/46/552329446.db2.gz LRPJOMUTNIWECR-UHFFFAOYSA-N 1 0 396.373 2.914 20 0 GFADRO CC(=O)Nc1ccc(S(=O)(=O)CCC[NH2+][C@H](C)c2nc(C)cs2)cc1 ZINC000184253736 552331186 /nfs/dbraw/zinc/33/11/86/552331186.db2.gz MLYSWGVQSUQGKJ-CYBMUJFWSA-N 1 0 381.523 2.925 20 0 GFADRO COc1ccc(Br)c(NC(=O)N[C@@H](C)CC[NH+]2CCN(C)CC2)c1 ZINC000184253573 552331239 /nfs/dbraw/zinc/33/12/39/552331239.db2.gz LTOLFFJRQFSUSQ-ZDUSSCGKSA-N 1 0 399.333 2.605 20 0 GFADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)c1ccc(Br)cc1Cl ZINC000184289839 552331508 /nfs/dbraw/zinc/33/15/08/552331508.db2.gz TVNKAKFTCQLAMZ-LBPRGKRZSA-N 1 0 388.737 2.858 20 0 GFADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)CCc1cc(Br)cs1 ZINC000184314989 552332149 /nfs/dbraw/zinc/33/21/49/552332149.db2.gz PRKBBSGYSNGWSX-CYBMUJFWSA-N 1 0 388.375 2.585 20 0 GFADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)c1cc(Cl)cc(Br)c1 ZINC000184381722 552334033 /nfs/dbraw/zinc/33/40/33/552334033.db2.gz KABFLKZCRPQZEH-LBPRGKRZSA-N 1 0 388.737 2.858 20 0 GFADRO COCC[N@H+](C)CCCNC(=O)Nc1nc(-c2ccccc2Cl)ns1 ZINC000184376172 552334080 /nfs/dbraw/zinc/33/40/80/552334080.db2.gz TUTFQPGHXDAQEV-UHFFFAOYSA-N 1 0 383.905 2.948 20 0 GFADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)[C@H](C)c1ccc(Br)cc1 ZINC000184395811 552334803 /nfs/dbraw/zinc/33/48/03/552334803.db2.gz YTYBDOMERSJLIU-HUUCEWRRSA-N 1 0 382.346 2.695 20 0 GFADRO CS(=O)(=O)CCCCC[NH2+]Cc1csc(-c2ccc3c(c2)OCO3)n1 ZINC000185215158 552357481 /nfs/dbraw/zinc/35/74/81/552357481.db2.gz PRBSWVDODNHRKZ-UHFFFAOYSA-N 1 0 382.507 2.843 20 0 GFADRO CNC(=O)C(C)(C)C[NH2+]Cc1cc(Br)cc(Br)c1N ZINC000185867667 552372706 /nfs/dbraw/zinc/37/27/06/552372706.db2.gz QUYZQACYZFKMIK-UHFFFAOYSA-N 1 0 393.123 2.656 20 0 GFADRO CN(CCC[NH+](C)C)C(=O)N[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000185957099 552375215 /nfs/dbraw/zinc/37/52/15/552375215.db2.gz BHTNQBJYZCTSLX-HNNXBMFYSA-N 1 0 383.334 2.621 20 0 GFADRO Cc1nn(-c2ccc(C(=O)NCC3=CC[NH2+]CC3)cc2)c(C)c1Br ZINC000186394711 552387151 /nfs/dbraw/zinc/38/71/51/552387151.db2.gz NVFNLPVYSPKUBG-UHFFFAOYSA-N 1 0 389.297 2.901 20 0 GFADRO CCCOC[C@@H](Cc1cccc(Br)c1)[NH2+][C@@H](C)CS(C)(=O)=O ZINC000186503033 552389844 /nfs/dbraw/zinc/38/98/44/552389844.db2.gz RPQUITHAFMNGTI-XJKSGUPXSA-N 1 0 392.359 2.810 20 0 GFADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CCC[C@H]1c1cccs1 ZINC000186604865 552392096 /nfs/dbraw/zinc/39/20/96/552392096.db2.gz MSVIYNSJMXQXQZ-HNNXBMFYSA-N 1 0 382.555 2.649 20 0 GFADRO CCOc1cc(Br)c(CC(=O)N[C@@H]2C[NH2+]CC[C@H]2C)cc1OCC ZINC000186670704 552394323 /nfs/dbraw/zinc/39/43/23/552394323.db2.gz FIXHJYBSBFSGGN-IUODEOHRSA-N 1 0 399.329 2.903 20 0 GFADRO CN(CC[N@H+](C)C1CC1)C(=O)c1ccc(I)c(F)c1 ZINC000186781057 552397419 /nfs/dbraw/zinc/39/74/19/552397419.db2.gz PVPOKIZKKUNJDG-UHFFFAOYSA-N 1 0 376.213 2.597 20 0 GFADRO COc1cc(/C=C/C(=O)N(C)CC[N@H+](C)C2CC2)cc(Br)c1O ZINC000186769816 552397615 /nfs/dbraw/zinc/39/76/15/552397615.db2.gz NYRCZCLHWRQCMD-QPJJXVBHSA-N 1 0 383.286 2.729 20 0 GFADRO CNC(=O)CCC[N@H+](C)Cc1cc(Br)cc(Br)c1N ZINC000186834168 552398996 /nfs/dbraw/zinc/39/89/96/552398996.db2.gz YUIGGCYOVKQEFA-UHFFFAOYSA-N 1 0 393.123 2.752 20 0 GFADRO CC(C)OCCNC(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000186902667 552401120 /nfs/dbraw/zinc/40/11/20/552401120.db2.gz LCIARNVJPNGANE-UHFFFAOYSA-N 1 0 386.334 2.947 20 0 GFADRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)CCc1cc(Br)cs1 ZINC000186953947 552402423 /nfs/dbraw/zinc/40/24/23/552402423.db2.gz WVSPULDUPUHREU-GFCCVEGCSA-N 1 0 389.359 2.747 20 0 GFADRO CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]C[C@@H](C(C)C)N1CCOCC1 ZINC000187107060 552406270 /nfs/dbraw/zinc/40/62/70/552406270.db2.gz BTCBIDOISOXEDK-KRWDZBQOSA-N 1 0 388.961 2.580 20 0 GFADRO CCO[C@@H]1C[C@]([NH3+])(C(=O)NCC(=O)Nc2cc(Cl)ccc2Cl)C1(C)C ZINC000187236269 552410093 /nfs/dbraw/zinc/41/00/93/552410093.db2.gz YDBQJWUMPZYXFZ-DYVFJYSZSA-N 1 0 388.295 2.581 20 0 GFADRO CCO[C@@H]1C[C@]([NH3+])(C(=O)N(C)CCc2ccc(Br)cc2)C1(C)C ZINC000187653446 552421271 /nfs/dbraw/zinc/42/12/71/552421271.db2.gz BYIKXXWPVMZPPQ-QAPCUYQASA-N 1 0 383.330 2.983 20 0 GFADRO CCO[C@H]1C[C@]([NH3+])(C(=O)N(C)CCc2ccc(Br)cc2)C1(C)C ZINC000187653463 552421314 /nfs/dbraw/zinc/42/13/14/552421314.db2.gz BYIKXXWPVMZPPQ-YJBOKZPZSA-N 1 0 383.330 2.983 20 0 GFADRO NC(=O)[C@@H](Cc1ccc(Cl)cc1)[NH2+]CC1CCN(CC(F)(F)F)CC1 ZINC000187712627 552422741 /nfs/dbraw/zinc/42/27/41/552422741.db2.gz JBRPIQRIFFUPSO-OAHLLOKOSA-N 1 0 377.838 2.600 20 0 GFADRO Cc1ccc(Br)cc1CNC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C ZINC000187794841 552424398 /nfs/dbraw/zinc/42/43/98/552424398.db2.gz OMCKMQJWVIBXNH-AWEZNQCLSA-N 1 0 398.345 2.744 20 0 GFADRO C[C@@H](NC(=O)[C@H]1C[NH2+]CCO1)c1nc(-c2ccc(Br)cc2)cs1 ZINC000187960131 552428813 /nfs/dbraw/zinc/42/88/13/552428813.db2.gz TUPCGXZGRBCBFR-QMTHXVAHSA-N 1 0 396.310 2.738 20 0 GFADRO Cc1cc(Br)cc(NC(=O)C(=O)NCC[N@@H+](C)C2CCCC2)c1 ZINC000188099719 552435104 /nfs/dbraw/zinc/43/51/04/552435104.db2.gz ANOPGRCVBXTDAE-UHFFFAOYSA-N 1 0 382.302 2.687 20 0 GFADRO Cc1cc(Br)cc(NC(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c1 ZINC000188135888 552436615 /nfs/dbraw/zinc/43/66/15/552436615.db2.gz NOAUFDQQELVYJV-BBRMVZONSA-N 1 0 394.313 2.639 20 0 GFADRO C[C@H]1C[C@@H](NS(=O)(=O)c2ccc(Br)c(Cl)c2)CC[N@@H+]1C ZINC000443769322 563811818 /nfs/dbraw/zinc/81/18/18/563811818.db2.gz BFNAKTVUGIGUPN-UWVGGRQHSA-N 1 0 381.723 2.864 20 0 GFADRO CC[NH+](CC)C[C@@H]1CCN(C(=O)c2cc(Br)c(C)nc2OC)C1 ZINC000188179017 552438135 /nfs/dbraw/zinc/43/81/35/552438135.db2.gz GEAIFMAUJOVMSH-ZDUSSCGKSA-N 1 0 384.318 2.965 20 0 GFADRO CC(C)[NH+]1CCN(CCCn2nnc(-c3ccc(Br)cc3)n2)CC1 ZINC000188256797 552440770 /nfs/dbraw/zinc/44/07/70/552440770.db2.gz OTTISTHAFFRPGH-UHFFFAOYSA-N 1 0 393.333 2.519 20 0 GFADRO CN(Cc1ccc(Br)cn1)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188286897 552441358 /nfs/dbraw/zinc/44/13/58/552441358.db2.gz VVJMQGGGSWARMS-LJQANCHMSA-N 1 0 390.325 2.913 20 0 GFADRO C[C@@H](Oc1ccc(Br)cc1)C(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000188609298 552450073 /nfs/dbraw/zinc/45/00/73/552450073.db2.gz UIKATKWAFABJBT-UONOGXRCSA-N 1 0 399.329 2.520 20 0 GFADRO Cc1c(Br)cccc1CC(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000188745083 552453813 /nfs/dbraw/zinc/45/38/13/552453813.db2.gz NYYWAQAJEZORII-UHFFFAOYSA-N 1 0 381.314 2.623 20 0 GFADRO Cc1nn(C)cc1CNc1ccc(CN2CC[NH+](C)CC2)c(Br)c1 ZINC000188883092 552457523 /nfs/dbraw/zinc/45/75/23/552457523.db2.gz YEFRATMMXXMRMW-UHFFFAOYSA-N 1 0 392.345 2.851 20 0 GFADRO CC[NH+]1CCN([C@@H](C)CNS(=O)(=O)c2cc(Cl)c(C)c(Cl)c2)CC1 ZINC000189114568 552463548 /nfs/dbraw/zinc/46/35/48/552463548.db2.gz VTLWXUPZXIMMEW-LBPRGKRZSA-N 1 0 394.368 2.606 20 0 GFADRO O=S(=O)(C[C@@H](O)C[NH2+][C@H]1CC[C@H](Cc2ccccc2)C1)c1cccs1 ZINC000189355239 552469612 /nfs/dbraw/zinc/46/96/12/552469612.db2.gz XNXTYECQLSSIRK-SQNIBIBYSA-N 1 0 379.547 2.884 20 0 GFADRO C[C@H](NC(=O)Nc1ccc(Cl)c(S(C)(=O)=O)c1)C(C)(C)C[NH+](C)C ZINC000189889353 552482029 /nfs/dbraw/zinc/48/20/29/552482029.db2.gz RELKJYFRXMGSQI-NSHDSACASA-N 1 0 375.922 2.841 20 0 GFADRO Cc1cc(F)c(Br)cc1S(=O)(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000189960597 552483751 /nfs/dbraw/zinc/48/37/51/552483751.db2.gz HURPVLDWHLZWJN-LLVKDONJSA-N 1 0 379.295 2.611 20 0 GFADRO CCO[C@@H]1C[C@@](CO)([NH2+]CC(=O)Nc2ccc(C)cc2Br)C1(C)C ZINC000190019553 552485454 /nfs/dbraw/zinc/48/54/54/552485454.db2.gz HCINIYCGJMLZNQ-QAPCUYQASA-N 1 0 399.329 2.852 20 0 GFADRO CCCN(CCC[NH+](C)C)C(=O)C(=O)Nc1ccc(F)cc1Br ZINC000190152607 552488668 /nfs/dbraw/zinc/48/86/68/552488668.db2.gz GQFOYJMDDDIMMC-UHFFFAOYSA-N 1 0 388.281 2.717 20 0 GFADRO COc1cc(Br)ccc1[C@@H](C)[NH2+]CC(=O)N(C)Cc1cnn(C)c1 ZINC000190440375 552496403 /nfs/dbraw/zinc/49/64/03/552496403.db2.gz SPUSZECOUCSBNE-GFCCVEGCSA-N 1 0 395.301 2.500 20 0 GFADRO CCOC(=O)c1sc2nc(CN3CCSC[C@@H](C)C3)nc(N)c2c1C ZINC000190471820 552497545 /nfs/dbraw/zinc/49/75/45/552497545.db2.gz BKSPYCFGWNMSCB-JTQLQIEISA-N 1 0 380.539 2.944 20 0 GFADRO C[NH+](C)CCn1ccc(NC(=O)C2(c3ccccc3Br)CC2)n1 ZINC000190490657 552498202 /nfs/dbraw/zinc/49/82/02/552498202.db2.gz IUAUZWLOLLCKKN-UHFFFAOYSA-N 1 0 377.286 2.878 20 0 GFADRO COc1ccsc1S(=O)(=O)N(CC[NH+](C)C)Cc1cccc(OC)c1 ZINC000190497219 552498869 /nfs/dbraw/zinc/49/88/69/552498869.db2.gz PGPHERZSZQXNLG-UHFFFAOYSA-N 1 0 384.523 2.518 20 0 GFADRO COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000190616400 552503483 /nfs/dbraw/zinc/50/34/83/552503483.db2.gz VIHOCNLHRZRXQY-QWHCGFSZSA-N 1 0 390.933 2.515 20 0 GFADRO O=C(CN1CCC[C@H]1c1nc(-c2ccccc2Br)no1)NC1CC1 ZINC000190799259 552509106 /nfs/dbraw/zinc/50/91/06/552509106.db2.gz IVRWGWHGOKBQAY-AWEZNQCLSA-N 1 0 391.269 2.915 20 0 GFADRO C[C@@H](NC(=O)Cc1ccc(I)cc1)C(C)(C)C[NH+](C)C ZINC000190949157 552514440 /nfs/dbraw/zinc/51/44/40/552514440.db2.gz HEFYMUKDXVYPJI-GFCCVEGCSA-N 1 0 388.293 2.926 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)Cc2ccc(I)cc2)C[N@@H+]1C1CC1 ZINC000190966940 552515371 /nfs/dbraw/zinc/51/53/71/552515371.db2.gz BEUJSSZCHHCDGC-BXUZGUMPSA-N 1 0 384.261 2.575 20 0 GFADRO O=C(NCCCC[NH+]1CCOCC1)N1CCc2cc(Br)ccc2C1 ZINC000191034216 552516865 /nfs/dbraw/zinc/51/68/65/552516865.db2.gz JTHPROHPEYZRBP-UHFFFAOYSA-N 1 0 396.329 2.629 20 0 GFADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)C1(c2ccccc2Br)CC1 ZINC000191092546 552518520 /nfs/dbraw/zinc/51/85/20/552518520.db2.gz UTXAEHXACXBVCN-CQSZACIVSA-N 1 0 381.314 2.708 20 0 GFADRO CCOCCC(=O)Nc1ccc(CN2CC[NH+](C)CC2)c(Br)c1 ZINC000191094290 552518858 /nfs/dbraw/zinc/51/88/58/552518858.db2.gz OTEYBVYWGFULDH-UHFFFAOYSA-N 1 0 384.318 2.562 20 0 GFADRO C[C@H]([NH2+]CCC(=O)N1CCN(c2ncccn2)CC1)c1csc(Cl)c1 ZINC000191255011 552522581 /nfs/dbraw/zinc/52/25/81/552522581.db2.gz QGCVYZNHZZOMTQ-ZDUSSCGKSA-N 1 0 379.917 2.581 20 0 GFADRO Cc1ccc(S(=O)(=O)NCC[NH2+][C@H](C)c2cnn(C(C)(C)C)c2C)s1 ZINC000191386300 552526637 /nfs/dbraw/zinc/52/66/37/552526637.db2.gz KWQVLXXAJDBUDY-CYBMUJFWSA-N 1 0 384.571 2.946 20 0 GFADRO Cc1csc(C(=O)N2CCC([NH+](C)C)CC2)c1I ZINC000191428793 552528140 /nfs/dbraw/zinc/52/81/40/552528140.db2.gz BDDDWACNZZTXJS-UHFFFAOYSA-N 1 0 378.279 2.827 20 0 GFADRO CCC[NH+]1CCN(Cc2ccc(Br)cc2N2CCOCC2)CC1 ZINC000191608539 552533139 /nfs/dbraw/zinc/53/31/39/552533139.db2.gz GOQLNTVPRNHURE-UHFFFAOYSA-N 1 0 382.346 2.813 20 0 GFADRO Brc1ccc(CN2CC[NH+](C3CC3)CC2)c(N2CCOCC2)c1 ZINC000191609840 552533259 /nfs/dbraw/zinc/53/32/59/552533259.db2.gz RBBUKCHXZYOOBZ-UHFFFAOYSA-N 1 0 380.330 2.566 20 0 GFADRO CO[C@@H]1C[NH2+][C@@H](C(=O)Nc2ncc(Cc3ccc(Br)cc3)s2)C1 ZINC000191883396 552541266 /nfs/dbraw/zinc/54/12/66/552541266.db2.gz RIJNEDKPPABFOW-GXTWGEPZSA-N 1 0 396.310 2.812 20 0 GFADRO Cc1c(Br)cccc1CC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000191921875 552542792 /nfs/dbraw/zinc/54/27/92/552542792.db2.gz MAMAXSJDXJNLNY-HNNXBMFYSA-N 1 0 395.341 2.917 20 0 GFADRO CS(=O)(=O)NCC[C@@H]1CCCC[N@@H+]1CCOc1ccc(Cl)c(F)c1 ZINC000191951133 552543767 /nfs/dbraw/zinc/54/37/67/552543767.db2.gz BCVJBBDENCEZJK-ZDUSSCGKSA-N 1 0 378.897 2.652 20 0 GFADRO CCN(CCC[NH+](C)C)S(=O)(=O)c1cc(Br)c(F)cc1F ZINC000191993885 552545098 /nfs/dbraw/zinc/54/50/98/552545098.db2.gz MJXRQNXQEDAUEL-UHFFFAOYSA-N 1 0 385.274 2.690 20 0 GFADRO C[C@@H]([NH3+])[C@@H](C)C(=O)N1CCC(C(=O)Nc2ccccc2Br)CC1 ZINC000192034230 552546653 /nfs/dbraw/zinc/54/66/53/552546653.db2.gz CCJVSCHMKXLKMF-VXGBXAGGSA-N 1 0 382.302 2.610 20 0 GFADRO C[C@@H]([NH3+])[C@H](C)C(=O)Nc1ccc(Br)c(I)c1 ZINC000192037470 552546862 /nfs/dbraw/zinc/54/68/62/552546862.db2.gz ZDIHXAUHNYOBNO-NKWVEPMBSA-N 1 0 397.054 2.976 20 0 GFADRO Cc1c([C@H](C)[NH2+][C@@H]2CCN(c3cccc(Br)c3)C2=O)cnn1C ZINC000192076394 552549481 /nfs/dbraw/zinc/54/94/81/552549481.db2.gz VCBMQLLWQDXIDL-MEDUHNTESA-N 1 0 377.286 2.947 20 0 GFADRO O=C(NC1CC[NH+](Cc2cccnc2)CC1)c1nc(Br)cs1 ZINC000192333155 552560325 /nfs/dbraw/zinc/56/03/25/552560325.db2.gz NHMGTVWGVLGRRZ-UHFFFAOYSA-N 1 0 381.299 2.695 20 0 GFADRO C[N@H+]1C[C@H]2CN(C(=O)c3cc(Br)sc3Br)C[C@H]2C1 ZINC000192495255 552565568 /nfs/dbraw/zinc/56/55/68/552565568.db2.gz CYEIFHMLYAEWPH-OCAPTIKFSA-N 1 0 394.132 2.907 20 0 GFADRO Cc1cc(NC(=O)C(=O)NCCCCCCC[NH+](C)C)ncc1Br ZINC000193100922 552983552 /nfs/dbraw/zinc/98/35/52/552983552.db2.gz OMACDLAIDPBBEX-UHFFFAOYSA-N 1 0 399.333 2.719 20 0 GFADRO NS(=O)(=O)c1ccc(CC[NH2+][C@H]2CCc3ccc(Br)cc32)cc1 ZINC000193160889 552985252 /nfs/dbraw/zinc/98/52/52/552985252.db2.gz QYAMBVHPHFNVIO-KRWDZBQOSA-N 1 0 395.322 2.916 20 0 GFADRO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1cc2c(cc1Br)CCC2 ZINC000193284852 552988820 /nfs/dbraw/zinc/98/88/20/552988820.db2.gz VPAOEXLMNJJFHT-LBPRGKRZSA-N 1 0 396.329 2.723 20 0 GFADRO C[C@@H](O)CSc1nc2sc3c(c2c(=O)n1CCC[NH+](C)C)CCCC3 ZINC000193354261 552991045 /nfs/dbraw/zinc/99/10/45/552991045.db2.gz IXWDJKUADZNMNB-GFCCVEGCSA-N 1 0 381.567 2.761 20 0 GFADRO C[NH+]1CCN(Cc2ccc(CNC(=O)c3ccoc3Br)cc2)CC1 ZINC000193421373 552992924 /nfs/dbraw/zinc/99/29/24/552992924.db2.gz DQTZSKSNLOFBQH-UHFFFAOYSA-N 1 0 392.297 2.720 20 0 GFADRO O=S(=O)(c1ccccc1Cl)N1CCN(CCC[NH+]2CCCCC2)CC1 ZINC000193465732 552994060 /nfs/dbraw/zinc/99/40/60/552994060.db2.gz GTGHNNXNQWLTRN-UHFFFAOYSA-N 1 0 385.961 2.522 20 0 GFADRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)c2ccoc2Br)CC1 ZINC000193499613 552994954 /nfs/dbraw/zinc/99/49/54/552994954.db2.gz HQNLTFUPSVJNMY-OKILXGFUSA-N 1 0 384.318 2.673 20 0 GFADRO O=C(Nc1ccc(Br)cc1)C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000193631502 552998802 /nfs/dbraw/zinc/99/88/02/552998802.db2.gz QNMMNHDGBPSHFW-UHFFFAOYSA-N 1 0 394.313 2.722 20 0 GFADRO COc1cc(C[NH2+][C@H]2C(=O)NCC[C@H]2C)cc(Br)c1OC(F)F ZINC000193679593 552999882 /nfs/dbraw/zinc/99/98/82/552999882.db2.gz NYSJGGKEMQDNRC-PRHODGIISA-N 1 0 393.228 2.673 20 0 GFADRO [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)CCSc1ccc(Cl)cc1 ZINC000193668781 552999913 /nfs/dbraw/zinc/99/99/13/552999913.db2.gz AOTOXTVPOZXHGQ-OAHLLOKOSA-N 1 0 383.945 2.668 20 0 GFADRO Cc1ccc(NC(=O)C(=O)NC2CC[NH+](CC3CC3)CC2)cc1Br ZINC000193706331 553001001 /nfs/dbraw/zinc/00/10/01/553001001.db2.gz GRUKHZQNZROSGJ-UHFFFAOYSA-N 1 0 394.313 2.687 20 0 GFADRO O=S(=O)(NC1CC[NH+](CC2CC2)CC1)c1ccc(Br)s1 ZINC000193909889 553006656 /nfs/dbraw/zinc/00/66/56/553006656.db2.gz WODWFTLWXKKUQW-UHFFFAOYSA-N 1 0 379.345 2.663 20 0 GFADRO CCS(=O)(=O)N(C)CCC[NH2+]C1CC(c2ccc(Br)cc2)C1 ZINC000193974149 553008814 /nfs/dbraw/zinc/00/88/14/553008814.db2.gz YNTFHICZAPONGK-UHFFFAOYSA-N 1 0 389.359 2.956 20 0 GFADRO O=C(Cc1ccc(Br)s1)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000367124292 563831611 /nfs/dbraw/zinc/83/16/11/563831611.db2.gz FJZLSRAAKVGPIY-ZDUSSCGKSA-N 1 0 387.343 2.624 20 0 GFADRO Cc1cc(S(=O)(=O)NCC[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCCC3)c(C)s1 ZINC000194118509 553012396 /nfs/dbraw/zinc/01/23/96/553012396.db2.gz KSPPIHSRIJJRAE-DJIMGWMZSA-N 1 0 384.567 2.581 20 0 GFADRO O=C([C@@H]1Cc2cc(Br)ccc2O1)N1CCC([NH+]2CCCC2)CC1 ZINC000194245553 553015575 /nfs/dbraw/zinc/01/55/75/553015575.db2.gz TUPJNRPLJVODLO-KRWDZBQOSA-N 1 0 379.298 2.839 20 0 GFADRO CCN(CCC[NH+](C)C)C(=O)C(=O)Nc1cc2c(cc1Br)CCC2 ZINC000194381211 553019218 /nfs/dbraw/zinc/01/92/18/553019218.db2.gz LZDBUZMTMFGYRQ-UHFFFAOYSA-N 1 0 396.329 2.677 20 0 GFADRO CCN(CCOc1ccc(Br)cc1)C(=O)c1csc(CC[NH3+])n1 ZINC000194815323 553030934 /nfs/dbraw/zinc/03/09/34/553030934.db2.gz LYBVSZSRYGSJAZ-UHFFFAOYSA-N 1 0 398.326 2.948 20 0 GFADRO COc1c(Br)cc(C[NH2+]C[C@H](O)C(F)F)cc1Br ZINC000226575759 553061946 /nfs/dbraw/zinc/06/19/46/553061946.db2.gz KTOKIOHUIBNFDN-VIFPVBQESA-N 1 0 389.034 2.936 20 0 GFADRO C[NH+](C)CCN(Cc1ccc(F)c(F)c1)S(=O)(=O)CCc1cccs1 ZINC000195359714 553046217 /nfs/dbraw/zinc/04/62/17/553046217.db2.gz CSPIVRYVUALYOO-UHFFFAOYSA-N 1 0 388.505 2.962 20 0 GFADRO O=S(=O)(NC1CC[NH+](CC2CC2)CC1)c1cc(Br)ccc1F ZINC000195417076 553047726 /nfs/dbraw/zinc/04/77/26/553047726.db2.gz XMNBHAHMEVFVFD-UHFFFAOYSA-N 1 0 391.306 2.741 20 0 GFADRO C[C@H]1CCCC[N@@H+]1CCNS(=O)(=O)N(C)Cc1c(F)cccc1Cl ZINC000195586546 553051436 /nfs/dbraw/zinc/05/14/36/553051436.db2.gz BYNWFWBDWYXDGA-ZDUSSCGKSA-N 1 0 377.913 2.620 20 0 GFADRO O=S(=O)(NCC[NH+]1CCCCCC1)c1ccc(Br)c(F)c1 ZINC000230595601 553065190 /nfs/dbraw/zinc/06/51/90/553065190.db2.gz ULPVWGKPOZRWIK-UHFFFAOYSA-N 1 0 379.295 2.743 20 0 GFADRO CC[NH+]1CCC(N(C)C(=O)c2ccc(I)c(O)c2)CC1 ZINC000230892883 553065505 /nfs/dbraw/zinc/06/55/05/553065505.db2.gz ZECITOLROQWYJO-UHFFFAOYSA-N 1 0 388.249 2.553 20 0 GFADRO C[C@H]([NH2+]CCS(=O)(=O)N(C)C)c1cc2cc(Br)ccc2o1 ZINC000230988648 553066180 /nfs/dbraw/zinc/06/61/80/553066180.db2.gz XPLVKZOZOUHJNE-JTQLQIEISA-N 1 0 375.288 2.737 20 0 GFADRO CC(C)[C@H]([NH3+])CCN(C)C(=O)c1c(F)cccc1I ZINC000236612992 553069570 /nfs/dbraw/zinc/06/95/70/553069570.db2.gz LKYAXYQGQLXZNU-GFCCVEGCSA-N 1 0 378.229 2.876 20 0 GFADRO CC(=O)Nc1ccc(-c2csc(NC(=O)C[C@H]3CSCC[NH2+]3)n2)cc1 ZINC000236614466 553069882 /nfs/dbraw/zinc/06/98/82/553069882.db2.gz SWKRVJWPCHNMBK-AWEZNQCLSA-N 1 0 376.507 2.802 20 0 GFADRO CC(=O)NCc1ccc(-c2nc(NC(=O)C3CC[NH2+]CC3)sc2C)s1 ZINC000236677165 553070437 /nfs/dbraw/zinc/07/04/37/553070437.db2.gz WCVKCZIJMOOLOI-UHFFFAOYSA-N 1 0 378.523 2.754 20 0 GFADRO CC(C)([NH3+])CNC(=O)c1nn(-c2cccc(Br)c2)c2c1CCC2 ZINC000236645825 553070539 /nfs/dbraw/zinc/07/05/39/553070539.db2.gz RDCSYRRWYFNMIQ-UHFFFAOYSA-N 1 0 377.286 2.591 20 0 GFADRO O=C(NCCOc1ccc(Br)cc1)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000236730808 553070970 /nfs/dbraw/zinc/07/09/70/553070970.db2.gz XAPXZMNMPTZLKP-KRWDZBQOSA-N 1 0 375.266 2.659 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)N[C@@H](C[NH3+])CC(C)C ZINC000236826782 553071552 /nfs/dbraw/zinc/07/15/52/553071552.db2.gz AKXABBUFQXHSFS-LSDHHAIUSA-N 1 0 386.583 2.841 20 0 GFADRO CCC[NH2+]CCNC(=O)c1cc(Cl)c(I)cc1OC ZINC000236818475 553071635 /nfs/dbraw/zinc/07/16/35/553071635.db2.gz NRFOWBQRAXDWDZ-UHFFFAOYSA-N 1 0 396.656 2.683 20 0 GFADRO CC(C)([NH3+])C(=O)Nc1ccc(Br)c(I)c1 ZINC000236808289 553071655 /nfs/dbraw/zinc/07/16/55/553071655.db2.gz UYYKBCSZKMYECG-UHFFFAOYSA-N 1 0 383.027 2.730 20 0 GFADRO CCCC[C@@H](C[NH3+])NC(=O)CCC[S@](=O)c1ccc(Br)cc1 ZINC000236804257 553071678 /nfs/dbraw/zinc/07/16/78/553071678.db2.gz TVCMFJXJMBNDPB-FPTDNZKUSA-N 1 0 389.359 2.971 20 0 GFADRO CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)C[C@@H]1CSCC[NH2+]1 ZINC000236901816 553072614 /nfs/dbraw/zinc/07/26/14/553072614.db2.gz OMYZPOHALNRQGW-LLVKDONJSA-N 1 0 390.336 2.876 20 0 GFADRO CCCC[C@H](C[NH3+])NC(=O)[C@H]1CCCN1C(=O)c1ccc(Br)cc1 ZINC000236917322 553072658 /nfs/dbraw/zinc/07/26/58/553072658.db2.gz BLZLHPSIKRXKCZ-HZPDHXFCSA-N 1 0 396.329 2.687 20 0 GFADRO CCCC[C@H](C[NH3+])NC(=O)CCC[S@@](=O)c1ccc(Br)cc1 ZINC000236882349 553072795 /nfs/dbraw/zinc/07/27/95/553072795.db2.gz TVCMFJXJMBNDPB-JLCFBVMHSA-N 1 0 389.359 2.971 20 0 GFADRO COCC[C@@H](Cc1cccc(Br)c1)C(=O)N(C)C1CC[NH2+]CC1 ZINC000237103945 553074742 /nfs/dbraw/zinc/07/47/42/553074742.db2.gz HPCYIUIUJJKPKQ-HNNXBMFYSA-N 1 0 383.330 2.855 20 0 GFADRO COCC[C@H](Cc1cccc(Br)c1)C(=O)N1CCC[C@H](C[NH3+])C1 ZINC000237116651 553074805 /nfs/dbraw/zinc/07/48/05/553074805.db2.gz CYVCYGHNSSUBMN-HZPDHXFCSA-N 1 0 383.330 2.842 20 0 GFADRO COc1ccc(Br)cc1C(=O)CCC(=O)N1C[C@H](C)[NH2+]C[C@@H]1C ZINC000237110136 553075030 /nfs/dbraw/zinc/07/50/30/553075030.db2.gz XVCNQEKOQDVUDW-RYUDHWBXSA-N 1 0 383.286 2.629 20 0 GFADRO COC(=O)C[C@H](NC(=O)[C@@H]1CC12CC[NH2+]CC2)c1cccc(Br)c1 ZINC000237220179 553075910 /nfs/dbraw/zinc/07/59/10/553075910.db2.gz OTWCXPQDFXSGNX-GJZGRUSLSA-N 1 0 395.297 2.559 20 0 GFADRO COC(=O)C[C@@H](NC(=O)c1ccc(C[NH3+])o1)c1ccc(Br)cc1 ZINC000237212450 553076118 /nfs/dbraw/zinc/07/61/18/553076118.db2.gz ATHFEWOHUPTATI-CYBMUJFWSA-N 1 0 381.226 2.535 20 0 GFADRO C[NH2+]C[C@H]1CCCN1C(=O)c1ccc(Cl)c(I)c1 ZINC000237256094 553076734 /nfs/dbraw/zinc/07/67/34/553076734.db2.gz FEKPZEAMOCJABI-SNVBAGLBSA-N 1 0 378.641 2.769 20 0 GFADRO C[C@@H](CC(=O)N1CCN(c2ccc(Br)cn2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000237370750 553076912 /nfs/dbraw/zinc/07/69/12/553076912.db2.gz ORTMEAZKQGXVKT-LSDHHAIUSA-N 1 0 395.345 2.519 20 0 GFADRO C[NH2+]CC1CCN(C(=O)c2ccc(I)c(F)c2)CC1 ZINC000237350681 553076953 /nfs/dbraw/zinc/07/69/53/553076953.db2.gz CYUZDTGRCGWRMB-UHFFFAOYSA-N 1 0 376.213 2.502 20 0 GFADRO C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)c1cc(F)c(F)cc1I ZINC000237486762 553078111 /nfs/dbraw/zinc/07/81/11/553078111.db2.gz MKJWQWDFYNJMEF-SFYZADRCSA-N 1 0 380.176 2.521 20 0 GFADRO C[C@H](NC(=O)[C@@]1(C)CC[NH2+]C1)c1nc(-c2ccc(Br)cc2)no1 ZINC000237492666 553078113 /nfs/dbraw/zinc/07/81/13/553078113.db2.gz BCASMECUSUQUSO-QFYYESIMSA-N 1 0 379.258 2.676 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)c2nn(-c3ccc(F)cc3)cc2Br)C1 ZINC000237458958 553078438 /nfs/dbraw/zinc/07/84/38/553078438.db2.gz HTAGAIBZIGIWIJ-RYUDHWBXSA-N 1 0 395.276 2.973 20 0 GFADRO C[C@H]1C[C@H]([NH3+])CCN1C(=O)CCc1nc(-c2cc(Br)cs2)no1 ZINC000237591140 553079343 /nfs/dbraw/zinc/07/93/43/553079343.db2.gz FKDVHLNUZYVOPB-GXSJLCMTSA-N 1 0 399.314 2.831 20 0 GFADRO C[C@H]1CN(C(=O)c2cccc(NC(=O)c3ccc(Br)o3)c2)CC[NH2+]1 ZINC000237573980 553079520 /nfs/dbraw/zinc/07/95/20/553079520.db2.gz NUEMSYOBTSTXPB-NSHDSACASA-N 1 0 392.253 2.728 20 0 GFADRO C[C@H]1CN(C(=O)c2ccc(Cl)c(I)c2)[C@@H](C)C[NH2+]1 ZINC000237645821 553079979 /nfs/dbraw/zinc/07/99/79/553079979.db2.gz BCBVNJPUWWMCEK-IUCAKERBSA-N 1 0 378.641 2.767 20 0 GFADRO C[C@@]1(C(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)CCCC[NH2+]1 ZINC000237621546 553080145 /nfs/dbraw/zinc/08/01/45/553080145.db2.gz SNHLLLJZTUVGQP-KRWDZBQOSA-N 1 0 385.917 2.595 20 0 GFADRO O=C(Nc1c(Cl)cc(NC(=O)[C@H]2CC[NH2+]C2)cc1Cl)c1cnccn1 ZINC000237711587 553081178 /nfs/dbraw/zinc/08/11/78/553081178.db2.gz NBMXQKGPOWKZLL-VIFPVBQESA-N 1 0 380.235 2.584 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)[C@@]1(C)CCC[NH2+]C1 ZINC000237786913 553081544 /nfs/dbraw/zinc/08/15/44/553081544.db2.gz UBJUDXDLCHFRFP-KRWDZBQOSA-N 1 0 382.302 2.592 20 0 GFADRO Cc1c2cc(Br)ccc2oc1C(=O)NCCCN1CC[NH2+]CC1 ZINC000237783152 553081618 /nfs/dbraw/zinc/08/16/18/553081618.db2.gz MTXIPEMKWHYDKA-UHFFFAOYSA-N 1 0 380.286 2.529 20 0 GFADRO [NH3+]C1(CNC(=O)[C@@H]2CC(=O)N(c3ccccc3Br)C2)CCCCC1 ZINC000237763903 553081656 /nfs/dbraw/zinc/08/16/56/553081656.db2.gz RDXFFOMFZYDGOE-CYBMUJFWSA-N 1 0 394.313 2.580 20 0 GFADRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)c1cnn(-c2cccc(Br)c2)c1 ZINC000237899553 553083960 /nfs/dbraw/zinc/08/39/60/553083960.db2.gz XXFNAIHFFMMDSX-LRDDRELGSA-N 1 0 377.286 2.882 20 0 GFADRO [NH3+]C1(C(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)CCCCC1 ZINC000237954776 553084088 /nfs/dbraw/zinc/08/40/88/553084088.db2.gz PAICZGKGQVVMHC-UHFFFAOYSA-N 1 0 385.917 2.725 20 0 GFADRO [NH3+]Cc1ccc(C(=O)NCC2(c3cccc(Br)c3)CCOCC2)o1 ZINC000237964097 553084812 /nfs/dbraw/zinc/08/48/12/553084812.db2.gz ZAVSXPRWZLSYIM-UHFFFAOYSA-N 1 0 393.281 2.979 20 0 GFADRO [NH3+]C[C@H]1CCCC[C@H]1NC(=O)c1cnn(-c2cccc(Br)c2)c1 ZINC000238023292 553084977 /nfs/dbraw/zinc/08/49/77/553084977.db2.gz XXFNAIHFFMMDSX-MLGOLLRUSA-N 1 0 377.286 2.882 20 0 GFADRO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)C1(c2ccc(Br)cc2)CCOCC1 ZINC000238020829 553085047 /nfs/dbraw/zinc/08/50/47/553085047.db2.gz AWHQKFYDDVKHJR-XJKSGUPXSA-N 1 0 381.314 2.741 20 0 GFADRO [NH3+]CC1CCN(C(=O)CCC[S@@](=O)c2ccc(Br)cc2)CC1 ZINC000238025695 553085249 /nfs/dbraw/zinc/08/52/49/553085249.db2.gz DKVAUZJWRCDGSN-JOCHJYFZSA-N 1 0 387.343 2.534 20 0 GFADRO O=S(=O)(c1ccc(C[NH2+]C/C=C/c2ccccc2)s1)N1CCOCC1 ZINC000238036438 553085268 /nfs/dbraw/zinc/08/52/68/553085268.db2.gz QIAUGHZEBPCWCV-QPJJXVBHSA-N 1 0 378.519 2.572 20 0 GFADRO CCCC(=O)NC[C@H]1CCCN([C@@H](C(N)=O)c2cccc(Br)c2)C1 ZINC000245933142 553099836 /nfs/dbraw/zinc/09/98/36/553099836.db2.gz YXCUUTBWTZWKRH-CXAGYDPISA-N 1 0 396.329 2.604 20 0 GFADRO CC1(C)COCCN1CCNC(=O)[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000246006491 553101146 /nfs/dbraw/zinc/10/11/46/553101146.db2.gz HPAYFEMZWGSVBR-JKSUJKDBSA-N 1 0 381.314 2.780 20 0 GFADRO Cc1ccc(Br)cc1S(=O)(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000246092160 553102347 /nfs/dbraw/zinc/10/23/47/553102347.db2.gz GTUWIOOWNZILTP-TZMCWYRMSA-N 1 0 375.332 2.718 20 0 GFADRO CO[C@@H]1CCCN([C@H](C)C(=O)Nc2cccc(I)c2)C1 ZINC000246122431 553102977 /nfs/dbraw/zinc/10/29/77/553102977.db2.gz NUJXBQRHIMJZCR-BXUZGUMPSA-N 1 0 388.249 2.729 20 0 GFADRO CS(=O)(=O)N1CC[C@H](C[NH2+][C@H](c2ccc(Br)cc2)C2CC2)C1 ZINC000246161393 553103293 /nfs/dbraw/zinc/10/32/93/553103293.db2.gz UNIWNGHYFOEIDY-WBMJQRKESA-N 1 0 387.343 2.771 20 0 GFADRO CC[S@](=O)[C@@H]1CCC[C@@H]([NH2+][C@@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)C1 ZINC000246587513 553110224 /nfs/dbraw/zinc/11/02/24/553110224.db2.gz WNNAAAFCSQWMAA-IUVKMMPPSA-N 1 0 386.583 2.667 20 0 GFADRO COc1ccc([C@H](C)[NH2+]C[C@H](O)COC[C@H]2CCCO2)cc1Br ZINC000246677072 553111148 /nfs/dbraw/zinc/11/11/48/553111148.db2.gz QGFXWVRRMVYXEX-AEGPPILISA-N 1 0 388.302 2.665 20 0 GFADRO CCC[N@H+](C[C@@H](O)Cc1ccccc1C(F)(F)F)[C@H]1CCS(=O)(=O)C1 ZINC000246756221 553112774 /nfs/dbraw/zinc/11/27/74/553112774.db2.gz QLENZZDWXNMWON-GJZGRUSLSA-N 1 0 379.444 2.508 20 0 GFADRO C[C@H](NC(=O)CN1CCC[C@@H](OCCO)C1)c1ccc(Cl)cc1Cl ZINC000246739052 553112943 /nfs/dbraw/zinc/11/29/43/553112943.db2.gz IHNDJEQSIXCCBE-GXTWGEPZSA-N 1 0 375.296 2.644 20 0 GFADRO CO[C@@H]1CC[C@@H]2OCCN(Cc3cc4c(c(Br)c3)OCO4)[C@H]2C1 ZINC000246924518 553115621 /nfs/dbraw/zinc/11/56/21/553115621.db2.gz RXVXKASJZYSYQJ-SNPRPXQTSA-N 1 0 384.270 2.946 20 0 GFADRO CN(Cc1ccccc1Br)C(=O)C[N@@H+]1CCS[C@@H]2COCC[C@H]21 ZINC000247036309 553117484 /nfs/dbraw/zinc/11/74/84/553117484.db2.gz QZHDKXHTHFWHCL-HZPDHXFCSA-N 1 0 399.354 2.614 20 0 GFADRO CC(=O)N1CC[C@H](C[N@@H+](C)CC(=O)N[C@H](C)c2ccc(Cl)cc2Cl)C1 ZINC000247041727 553118107 /nfs/dbraw/zinc/11/81/07/553118107.db2.gz VBBQQOVYJUUOCH-TZMCWYRMSA-N 1 0 386.323 2.971 20 0 GFADRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1cc(Br)c2c(c1)OCCO2 ZINC000247174787 553119658 /nfs/dbraw/zinc/11/96/58/553119658.db2.gz AXIQYCVEPACSGK-BXUZGUMPSA-N 1 0 383.286 2.633 20 0 GFADRO C[N@@H+]1CCC[C@H]2CN(C(=O)NCCNc3ncc(Cl)cc3Cl)CC[C@H]21 ZINC000247346115 553121284 /nfs/dbraw/zinc/12/12/84/553121284.db2.gz XVGRURYCPBGFHW-SWLSCSKDSA-N 1 0 386.327 2.926 20 0 GFADRO O[C@H](COc1cc(Cl)ccc1Cl)C[N@@H+]1CCS[C@@H]2COCC[C@@H]21 ZINC000247322184 553121481 /nfs/dbraw/zinc/12/14/81/553121481.db2.gz WGYHSPJUDRYGTJ-DUVNUKRYSA-N 1 0 378.321 2.939 20 0 GFADRO C[NH+](C)C[C@H]1CCN(C[C@@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000247460092 553122856 /nfs/dbraw/zinc/12/28/56/553122856.db2.gz QSQNEQOSYWHZCH-TZMCWYRMSA-N 1 0 391.737 2.726 20 0 GFADRO NC(=O)[C@H]([NH2+][C@@H]1CCN(c2ccccc2Br)C1)c1ccc(F)cc1 ZINC000247485992 553122988 /nfs/dbraw/zinc/12/29/88/553122988.db2.gz KRIVZDYSMIITIM-RHSMWYFYSA-N 1 0 392.272 2.983 20 0 GFADRO Cc1ccc(S(=O)(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)c(Br)c1 ZINC000247540542 553123163 /nfs/dbraw/zinc/12/31/63/553123163.db2.gz PZKRHLQTZZBJPW-DZGCQCFKSA-N 1 0 387.343 2.862 20 0 GFADRO C[N@@H+]1CCC[C@H]2CN(C(=O)COc3ccc(C=O)cc3Br)CC[C@H]21 ZINC000248010060 553126940 /nfs/dbraw/zinc/12/69/40/553126940.db2.gz LEXCAJBCRRDNOO-GOEBONIOSA-N 1 0 395.297 2.583 20 0 GFADRO COC(=O)[C@@H](c1cccc(Cl)c1Cl)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000248434766 553129293 /nfs/dbraw/zinc/12/92/93/553129293.db2.gz FBDVYRMSKSRAOP-SUMWQHHRSA-N 1 0 387.307 2.862 20 0 GFADRO Cc1cc(N2CC[C@H](N[C@H]3CC[N@H+](C)[C@@H](C)C3)C2=O)ccc1Br ZINC000248762321 553134297 /nfs/dbraw/zinc/13/42/97/553134297.db2.gz GRXGDASURDDMNE-ZQIUZPCESA-N 1 0 380.330 2.935 20 0 GFADRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)[C@H]2Cc3cc(Br)ccc3O2)C1 ZINC000248784274 553134823 /nfs/dbraw/zinc/13/48/23/553134823.db2.gz VZAIVVQHSZZAQR-SRCQZFHVSA-N 1 0 379.298 2.695 20 0 GFADRO Cc1ccc(NC(=O)C(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c(Br)c1 ZINC000249112810 553139761 /nfs/dbraw/zinc/13/97/61/553139761.db2.gz AWCYMGRFKCWTOR-STQMWFEESA-N 1 0 382.302 2.637 20 0 GFADRO Cc1cc(C)c(NC(=O)N2CC[N@@H+](C[C@H](C)O)[C@H](C)C2)cc1Br ZINC000249149460 553140147 /nfs/dbraw/zinc/14/01/47/553140147.db2.gz WAMPZDYULGPTCR-KGLIPLIRSA-N 1 0 384.318 2.985 20 0 GFADRO Cc1cc(Br)c(F)cc1NC(=O)C(=O)N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000249213444 553141138 /nfs/dbraw/zinc/14/11/38/553141138.db2.gz SSAQGWBGEBUHGI-VXGBXAGGSA-N 1 0 398.276 2.530 20 0 GFADRO C[C@H](Oc1ccc(Br)cc1)C(=O)N1CC[N@H+](CC(C)(C)O)C[C@@H]1C ZINC000249408732 553142680 /nfs/dbraw/zinc/14/26/80/553142680.db2.gz UWLVZGCQUWYDAN-KBPBESRZSA-N 1 0 399.329 2.520 20 0 GFADRO C[C@H](C(=O)Nc1cccc(Br)c1)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000249410996 553142931 /nfs/dbraw/zinc/14/29/31/553142931.db2.gz VHGBNWNQDNMFES-UONOGXRCSA-N 1 0 398.345 2.553 20 0 GFADRO Cc1ccc(NC(=O)C(=O)N[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)c(Br)c1 ZINC000250374092 553147210 /nfs/dbraw/zinc/14/72/10/553147210.db2.gz MZCDHKWMYCIWHH-KGLIPLIRSA-N 1 0 396.329 2.933 20 0 GFADRO Cc1ccc(NC(=O)C(=O)N[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)cc1Br ZINC000250298645 553147584 /nfs/dbraw/zinc/14/75/84/553147584.db2.gz KLHWALSFPQPNMS-OCCSQVGLSA-N 1 0 396.329 2.933 20 0 GFADRO Cc1sc(Br)cc1S(=O)(=O)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000250956031 553147997 /nfs/dbraw/zinc/14/79/97/553147997.db2.gz SFEBKBFNZCHMAG-NWDGAFQWSA-N 1 0 393.372 2.972 20 0 GFADRO C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000253359387 553150751 /nfs/dbraw/zinc/15/07/51/553150751.db2.gz OOXHUVZQKYICRD-OLZOCXBDSA-N 1 0 384.307 2.808 20 0 GFADRO C[C@H](O)CN1CCN(C(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)[C@H](C)C1 ZINC000253203620 553150845 /nfs/dbraw/zinc/15/08/45/553150845.db2.gz HMRHXWYGCNWNEJ-AGIUHOORSA-N 1 0 375.296 2.674 20 0 GFADRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)Nc1cccc(Br)c1 ZINC000253357841 553150926 /nfs/dbraw/zinc/15/09/26/553150926.db2.gz GCFKBRCPEJWERL-STQMWFEESA-N 1 0 382.302 2.624 20 0 GFADRO O=C(c1ccc(I)c(Cl)c1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000261582121 553153383 /nfs/dbraw/zinc/15/33/83/553153383.db2.gz GNEIRJYXEKVBKS-ZWNOBZJWSA-N 1 0 390.652 2.769 20 0 GFADRO Cc1cc(C[N@@H+]2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)ccc1Br ZINC000261607067 553154108 /nfs/dbraw/zinc/15/41/08/553154108.db2.gz CWKCNXHNYVTBLH-FUHWJXTLSA-N 1 0 394.357 2.838 20 0 GFADRO C[NH2+][C@@H](C)Cc1noc([C@@H]2CC(=O)N(c3ccc(Br)c(C)c3)C2)n1 ZINC000261605907 553154144 /nfs/dbraw/zinc/15/41/44/553154144.db2.gz ACZZESYIOGSBDA-NWDGAFQWSA-N 1 0 393.285 2.811 20 0 GFADRO O=C(c1cc(Cl)ccc1I)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261605279 553154155 /nfs/dbraw/zinc/15/41/55/553154155.db2.gz RHIGHBSGRPEEKW-RNCFNFMXSA-N 1 0 390.652 2.769 20 0 GFADRO C[NH2+][C@H](C)Cc1noc(-c2cc(S(=O)(=O)NC(C)(C)C)ccc2Cl)n1 ZINC000261620696 553154400 /nfs/dbraw/zinc/15/44/00/553154400.db2.gz BTEHWZTZCZORAK-SNVBAGLBSA-N 1 0 386.905 2.617 20 0 GFADRO CCCN(CC(=O)N(C)Cc1ccccc1Br)C1CC[NH2+]CC1 ZINC000261706312 553156449 /nfs/dbraw/zinc/15/64/49/553156449.db2.gz KLDQLCUTGBBJIF-UHFFFAOYSA-N 1 0 382.346 2.872 20 0 GFADRO Cc1ccc([C@@H](O)CNC(=O)[C@](C)([NH3+])c2ccc(Br)cc2)cc1 ZINC000261726893 553157140 /nfs/dbraw/zinc/15/71/40/553157140.db2.gz KPZLLCBILMESKG-FUHWJXTLSA-N 1 0 377.282 2.781 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000261731353 553157293 /nfs/dbraw/zinc/15/72/93/553157293.db2.gz KYNNINBKKQQGRF-GXTWGEPZSA-N 1 0 382.302 2.720 20 0 GFADRO C[NH2+][C@H](C)Cc1noc(CCC(=O)c2cc(Br)ccc2OC)n1 ZINC000261730973 553157572 /nfs/dbraw/zinc/15/75/72/553157572.db2.gz KEGYTKYKIIMESK-SNVBAGLBSA-N 1 0 382.258 2.807 20 0 GFADRO O=C(NC[C@H]1CCCN(Cc2ccc(C(F)(F)F)s2)C1)[C@H]1CCC[NH2+]1 ZINC000261755501 553158088 /nfs/dbraw/zinc/15/80/88/553158088.db2.gz CMCDNTRFSAIDMQ-TZMCWYRMSA-N 1 0 375.460 2.847 20 0 GFADRO O=C(NC[C@@H]1CCCN(Cc2cc(F)cc(Br)c2)C1)[C@H]1CCC[NH2+]1 ZINC000261791954 553159376 /nfs/dbraw/zinc/15/93/76/553159376.db2.gz ZBDGVEBKGIRJAJ-SUMWQHHRSA-N 1 0 398.320 2.668 20 0 GFADRO CC(C)c1nnc(CNC(=O)[C@@](C)([NH3+])c2ccc(Br)cc2)s1 ZINC000261801600 553159814 /nfs/dbraw/zinc/15/98/14/553159814.db2.gz RANJCEPBVSIKAD-HNNXBMFYSA-N 1 0 383.315 2.914 20 0 GFADRO [NH3+]CC[C@@H]1CCCN(S(=O)(=O)c2c(Cl)cccc2Br)C1 ZINC000261814039 553160052 /nfs/dbraw/zinc/16/00/52/553160052.db2.gz SSGLGYVHTUMRLR-JTQLQIEISA-N 1 0 381.723 2.852 20 0 GFADRO C[C@@H]1CCN(C(=O)[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)[C@H](C[NH3+])C1 ZINC000261864884 553160962 /nfs/dbraw/zinc/16/09/62/553160962.db2.gz RSMWETTYZJDNSY-XBFCOCLRSA-N 1 0 384.307 2.932 20 0 GFADRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1 ZINC000261876742 553161549 /nfs/dbraw/zinc/16/15/49/553161549.db2.gz SXNVPCXULCVRJY-UONOGXRCSA-N 1 0 384.929 2.622 20 0 GFADRO C[NH2+][C@@H](C)CNC(=O)c1ccc(NC(=O)c2ccc(Br)o2)cc1 ZINC000261869870 553161710 /nfs/dbraw/zinc/16/17/10/553161710.db2.gz ZPBZKFXUFWJCRB-JTQLQIEISA-N 1 0 380.242 2.632 20 0 GFADRO O=C(Nc1ncc(C2CC[NH2+]CC2)s1)[C@@H]1CCCN(CC(F)(F)F)C1 ZINC000261961551 553163414 /nfs/dbraw/zinc/16/34/14/553163414.db2.gz AFROYVBYMUYSAY-GFCCVEGCSA-N 1 0 376.448 2.823 20 0 GFADRO C[NH2+]CCC(=O)N1CCC[C@@H]1c1nc(Cc2ccc(Br)cc2)no1 ZINC000261999093 553163956 /nfs/dbraw/zinc/16/39/56/553163956.db2.gz ASKIZYMTUVREPD-CQSZACIVSA-N 1 0 393.285 2.696 20 0 GFADRO CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H](c1cccs1)c1ccc(Cl)cc1 ZINC000262131307 553166481 /nfs/dbraw/zinc/16/64/81/553166481.db2.gz OAEJCRWECWUCSF-DLBZAZTESA-N 1 0 379.913 2.707 20 0 GFADRO C[NH2+][C@@H](C(=O)N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1)c1cnn(C)c1 ZINC000262182515 553167097 /nfs/dbraw/zinc/16/70/97/553167097.db2.gz LEBORIGSRMUFKC-JKSUJKDBSA-N 1 0 383.279 2.588 20 0 GFADRO O=C(C[C@H]1COCC[NH2+]1)Nc1nc(-c2cccc(Br)c2)cs1 ZINC000262191254 553167597 /nfs/dbraw/zinc/16/75/97/553167597.db2.gz MATVZZXHYSZTDF-LBPRGKRZSA-N 1 0 382.283 2.890 20 0 GFADRO O=C(c1cccnc1Oc1ccc(Br)cc1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000262489873 553171373 /nfs/dbraw/zinc/17/13/73/553171373.db2.gz UJVCFNAFCAXZGF-BETUJISGSA-N 1 0 388.265 2.928 20 0 GFADRO O=C(CCCCc1ccc(I)cc1)NC1CC[NH2+]CC1 ZINC000262492749 553171457 /nfs/dbraw/zinc/17/14/57/553171457.db2.gz AKUMQJSOTCLBAE-UHFFFAOYSA-N 1 0 386.277 2.872 20 0 GFADRO Cc1cc(NC(=O)CNC(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)ccc1Br ZINC000262545590 553172304 /nfs/dbraw/zinc/17/23/04/553172304.db2.gz VCGFIDUGPNHBGD-WQVCFCJDSA-N 1 0 394.313 2.733 20 0 GFADRO CCc1c(NC(=O)C[C@H]2COCC[NH2+]2)n[nH]c1-c1ccc(Br)cc1 ZINC000262544055 553172568 /nfs/dbraw/zinc/17/25/68/553172568.db2.gz NUKIMWGVWMZTAL-ZDUSSCGKSA-N 1 0 393.285 2.719 20 0 GFADRO [NH3+]CCCOC1CCN(C(=O)CCOc2ccccc2Br)CC1 ZINC000262590825 553172915 /nfs/dbraw/zinc/17/29/15/553172915.db2.gz DMQQMDLYMGPQLE-UHFFFAOYSA-N 1 0 385.302 2.574 20 0 GFADRO C[C@@H](C[NH3+])N(C)C(=O)c1ccc(NC(=O)c2ccc(Br)o2)cc1 ZINC000262613177 553172968 /nfs/dbraw/zinc/17/29/68/553172968.db2.gz FOAHAPBLHJLFRT-JTQLQIEISA-N 1 0 380.242 2.714 20 0 GFADRO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262612952 553172980 /nfs/dbraw/zinc/17/29/80/553172980.db2.gz WSEQAQINHASOOO-OLZOCXBDSA-N 1 0 391.265 2.830 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)N[C@H]1CCC[C@H]1C[NH3+] ZINC000262593211 553173140 /nfs/dbraw/zinc/17/31/40/553173140.db2.gz SGSQIWFSGVIAGO-ILXRZTDVSA-N 1 0 384.567 2.595 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)c1ccc(I)c(F)c1 ZINC000262740554 553174674 /nfs/dbraw/zinc/17/46/74/553174674.db2.gz IKNDMNQNTFBVNH-NOZJJQNGSA-N 1 0 376.213 2.772 20 0 GFADRO COc1ccc(S(=O)(=O)N[C@]2(C[NH3+])CCCC[C@@H]2C)c(Br)c1 ZINC000262770058 553175668 /nfs/dbraw/zinc/17/56/68/553175668.db2.gz LXOACMVZJZMKBR-NHYWBVRUSA-N 1 0 391.331 2.644 20 0 GFADRO COc1cc(Br)c(S(=O)(=O)N[C@@H]2CC[NH2+][C@@H](C)C2)cc1Cl ZINC000262825586 553176782 /nfs/dbraw/zinc/17/67/82/553176782.db2.gz YFJPIADMSQTEQO-DTWKUNHWSA-N 1 0 397.722 2.530 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)c2cc(Br)ccc2O)C[C@H]1c1ccccc1 ZINC000262840750 553176599 /nfs/dbraw/zinc/17/65/99/553176599.db2.gz UNBHYCDINQNCJS-CJNGLKHVSA-N 1 0 375.266 2.969 20 0 GFADRO C[C@H]1C[C@@H](NC(=O)c2ccc(I)cc2Cl)CC[NH2+]1 ZINC000262839273 553176925 /nfs/dbraw/zinc/17/69/25/553176925.db2.gz IROHIDAMLLEQJO-WPRPVWTQSA-N 1 0 378.641 2.815 20 0 GFADRO CN(CCc1ccc(Br)cc1)C(=O)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000262868387 553177424 /nfs/dbraw/zinc/17/74/24/553177424.db2.gz XISXWIYQXACYFP-INIZCTEOSA-N 1 0 391.313 2.885 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)[C@@H]2CCCN2C(=O)c2ccc(Cl)c(Cl)c2)CC[NH2+]1 ZINC000262956562 553179551 /nfs/dbraw/zinc/17/95/51/553179551.db2.gz WCAJXJNGDWZMTD-KFNAQCHYSA-N 1 0 384.307 2.855 20 0 GFADRO CCN(C)C(=O)C[NH+]1CCC(C(=O)Nc2ccccc2Br)CC1 ZINC000263743786 553192216 /nfs/dbraw/zinc/19/22/16/553192216.db2.gz OQXRXXVOQYAVJL-UHFFFAOYSA-N 1 0 382.302 2.578 20 0 GFADRO COc1cc(Br)cc(S(=O)(=O)NCCCC[N@H+](C)C2CC2)c1 ZINC000416511099 563840463 /nfs/dbraw/zinc/84/04/63/563840463.db2.gz ZOBMNXOWCNBHTR-UHFFFAOYSA-N 1 0 391.331 2.610 20 0 GFADRO CO[C@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)N[C@H](CC[NH3+])C(F)F ZINC000417971374 563893168 /nfs/dbraw/zinc/89/31/68/563893168.db2.gz AWSQEZMMTAZQBO-WQAKAFBOSA-N 1 0 394.260 2.807 20 0 GFADRO CS(=O)(=O)N[C@@H]1CCCC[C@@H]1C[NH2+]Cc1cccc(Br)c1F ZINC000449321171 564180377 /nfs/dbraw/zinc/18/03/77/564180377.db2.gz KZUBKXSDJSDEDF-BXUZGUMPSA-N 1 0 393.322 2.786 20 0 GFADRO CC[N@H+](CCNC(=O)C(=O)Nc1cc(F)c(Br)cc1C)C(C)C ZINC000473368599 564245141 /nfs/dbraw/zinc/24/51/41/564245141.db2.gz MMOVONZXAKOZJK-UHFFFAOYSA-N 1 0 388.281 2.682 20 0 GFADRO C[C@H](CCC[NH3+])NC(=O)CCC[S@@](=O)c1ccc(Br)cc1 ZINC000565833063 564297544 /nfs/dbraw/zinc/29/75/44/564297544.db2.gz JXYOOHKWROZJDO-XUSGNXJCSA-N 1 0 375.332 2.581 20 0 GFADRO O=C(c1ccccc1I)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000566198557 564315924 /nfs/dbraw/zinc/31/59/24/564315924.db2.gz DLZJECSWYQFDFC-CHWSQXEVSA-N 1 0 384.261 2.753 20 0 GFADRO C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)N1CCNC[C@H]1C(F)F ZINC000566556535 564331251 /nfs/dbraw/zinc/33/12/51/564331251.db2.gz RIWZFBXDXOAYIW-KCJUWKMLSA-N 1 0 397.647 2.935 20 0 GFADRO CS(=O)(=O)N[C@@H]1CCCC[C@H]1C[NH2+]Cc1ccc(F)cc1Br ZINC000512849517 564413960 /nfs/dbraw/zinc/41/39/60/564413960.db2.gz FQLISHQTVIIXBZ-SWLSCSKDSA-N 1 0 393.322 2.786 20 0 GFADRO C[C@H](NS(=O)(=O)Cc1cc(Cl)ccc1Br)[C@@H]1CCC[NH2+]C1 ZINC000516768965 564511806 /nfs/dbraw/zinc/51/18/06/564511806.db2.gz JSKJQDIPSWWOAQ-WDEREUQCSA-N 1 0 395.750 2.910 20 0 GFADRO C[C@H]1CCN(S(=O)(=O)c2cccc(Cl)c2Br)C[C@H]1C[NH3+] ZINC000420480896 563265905 /nfs/dbraw/zinc/26/59/05/563265905.db2.gz QAETZZXRQYCYHA-VHSXEESVSA-N 1 0 381.723 2.708 20 0 GFADRO COCCCCNC(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000299131900 563375679 /nfs/dbraw/zinc/37/56/79/563375679.db2.gz JFXZARKGEZHWGC-UHFFFAOYSA-N 1 0 386.334 2.949 20 0 GFADRO CC[C@@H]1C[N@H+](C)CCCN1S(=O)(=O)c1ccc(Br)c(F)c1 ZINC000300539369 563391234 /nfs/dbraw/zinc/39/12/34/563391234.db2.gz NKVOGLORWWDNST-LLVKDONJSA-N 1 0 379.295 2.693 20 0 GFADRO CCN(CC[NH3+])S(=O)(=O)c1c(Cl)cc(Br)cc1Cl ZINC000306048096 563434101 /nfs/dbraw/zinc/43/41/01/563434101.db2.gz VJSQSXPLVVNHBY-UHFFFAOYSA-N 1 0 376.103 2.725 20 0 GFADRO CC[C@H]1CN(S(=O)(=O)c2c(Cl)cccc2Br)CC[C@H]1[NH3+] ZINC000312717846 563437017 /nfs/dbraw/zinc/43/70/17/563437017.db2.gz UMECIQCNAAERIA-JOYOIKCWSA-N 1 0 381.723 2.850 20 0 GFADRO C[NH+](C)[C@@]1(CNS(=O)(=O)Cc2cc(Cl)cc(Cl)c2)CCSC1 ZINC000427865534 563477469 /nfs/dbraw/zinc/47/74/69/563477469.db2.gz OUTQKVDFWWPNMJ-CQSZACIVSA-N 1 0 383.366 2.850 20 0 GFADRO Cc1c(Br)cc(C(=O)NCCCC[N@H+]2CCCC[C@H]2C)c(=O)n1C ZINC000277550302 563212980 /nfs/dbraw/zinc/21/29/80/563212980.db2.gz XPITYVJAEARAJA-CYBMUJFWSA-N 1 0 398.345 2.841 20 0 GFADRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)NCCc1c[nH]c2cccc(Br)c12 ZINC000418197978 563213231 /nfs/dbraw/zinc/21/32/31/563213231.db2.gz KPSKFWPBDFVSTG-XHDPSFHLSA-N 1 0 379.302 2.770 20 0 GFADRO O=C(N[C@H]1C[C@H](c2ccc(Br)cc2)C1)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000418204461 563213289 /nfs/dbraw/zinc/21/32/89/563213289.db2.gz PPIINLWMDCLWGW-PNBKFKSVSA-N 1 0 378.314 2.946 20 0 GFADRO CN(C)C(=O)[C@H]1CCCN1C(=O)C1CC[NH+](Cc2ccc(Cl)s2)CC1 ZINC000369405148 563213719 /nfs/dbraw/zinc/21/37/19/563213719.db2.gz XYUPLAJINNRKEU-OAHLLOKOSA-N 1 0 383.945 2.693 20 0 GFADRO CC(C)[N@@H+]1CCCN(C(=O)c2cccnc2-n2cc(Br)cn2)CC1 ZINC000294706612 563213755 /nfs/dbraw/zinc/21/37/55/563213755.db2.gz VSGPBXLZZUYFJA-UHFFFAOYSA-N 1 0 392.301 2.586 20 0 GFADRO O=C(CCNC(=O)N[C@H]1C[NH2+]CCC1(F)F)Nc1cc(Cl)cc(Cl)c1 ZINC000418211564 563213997 /nfs/dbraw/zinc/21/39/97/563213997.db2.gz FBSDYANUIUVOMN-LBPRGKRZSA-N 1 0 395.237 2.618 20 0 GFADRO CC1(C)Cc2ccc(Br)cc2[C@H]1NC(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000418221186 563214254 /nfs/dbraw/zinc/21/42/54/563214254.db2.gz VKTJFYPWUUANBH-GDBMZVCRSA-N 1 0 396.329 2.832 20 0 GFADRO O=C(NCc1nc2c(cccc2Br)[nH]1)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000418270834 563214952 /nfs/dbraw/zinc/21/49/52/563214952.db2.gz SIOWJGMGMOAWPL-IJLUTSLNSA-N 1 0 392.301 2.513 20 0 GFADRO C[NH+](C)[C@H]1CCc2ccccc2[C@H]1NS(=O)(=O)Cc1ccc(Cl)nc1 ZINC000369465861 563215013 /nfs/dbraw/zinc/21/50/13/563215013.db2.gz FSOHTINXUFDKHI-FUHWJXTLSA-N 1 0 379.913 2.772 20 0 GFADRO COc1cccc(CS(=O)(=O)NC[C@@H]2CC[N@H+](C)[C@@H]2c2cccs2)c1 ZINC000369541372 563216183 /nfs/dbraw/zinc/21/61/83/563216183.db2.gz UFUNTEQXGZTXAR-YJBOKZPZSA-N 1 0 380.535 2.869 20 0 GFADRO C[NH2+]C[C@@H](C)CNC(=O)N1CCC[C@H](Nc2cccc(Br)c2)C1 ZINC000418380903 563216340 /nfs/dbraw/zinc/21/63/40/563216340.db2.gz HVALAMXODMPYDT-CJNGLKHVSA-N 1 0 383.334 2.891 20 0 GFADRO C[NH2+]C[C@@H](C)CNC(=O)N1CCC(Oc2cccc(Br)c2)CC1 ZINC000418360916 563216400 /nfs/dbraw/zinc/21/64/00/563216400.db2.gz KNZQFQDKTNNBAI-CYBMUJFWSA-N 1 0 384.318 2.857 20 0 GFADRO CC(C)(COc1ncccc1Br)NC(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000418423560 563216937 /nfs/dbraw/zinc/21/69/37/563216937.db2.gz JKWLLWUIJIRMCW-GXTWGEPZSA-N 1 0 399.333 2.818 20 0 GFADRO Cn1ncc(Br)c1C(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1 ZINC000294837666 563218563 /nfs/dbraw/zinc/21/85/63/563218563.db2.gz MFHYRMMPRXYSIQ-UHFFFAOYSA-N 1 0 383.265 2.526 20 0 GFADRO C[C@@H](C[NH3+])CNC(=O)N1CCC[C@@H]1c1ccccc1I ZINC000418498409 563218790 /nfs/dbraw/zinc/21/87/90/563218790.db2.gz XELNAVWMJCRUOZ-SMDDNHRTSA-N 1 0 387.265 2.733 20 0 GFADRO [NH3+]C1(CNC(=O)N2CCC(Nc3cccc(Br)c3)CC2)CCC1 ZINC000418531267 563219156 /nfs/dbraw/zinc/21/91/56/563219156.db2.gz WNMWMOGKCFDZCV-UHFFFAOYSA-N 1 0 381.318 2.916 20 0 GFADRO CCOC[C@H]1CC[N@H+](Cc2cc(Br)ccc2O[C@@H](C)C(=O)NC)C1 ZINC000294864510 563219518 /nfs/dbraw/zinc/21/95/18/563219518.db2.gz PQYGLFKYVFZQCA-KBPBESRZSA-N 1 0 399.329 2.821 20 0 GFADRO Cc1[nH+]c2ccc(Br)cc2c(NC[C@@]2(O)CCS(=O)(=O)C2)c1C ZINC000294880586 563219958 /nfs/dbraw/zinc/21/99/58/563219958.db2.gz FCLQNCUUEVCMOL-INIZCTEOSA-N 1 0 399.310 2.576 20 0 GFADRO [NH3+][C@@H]1CCC[C@H](NC(=O)N2CCO[C@@H](c3ccc(Br)cc3)C2)C1 ZINC000418572100 563219981 /nfs/dbraw/zinc/21/99/81/563219981.db2.gz DYXHHFVFQLVREW-OWCLPIDISA-N 1 0 382.302 2.802 20 0 GFADRO C[C@H](CC[NH3+])NC(=O)N1CCC(C(=O)Nc2ccccc2Br)CC1 ZINC000418535204 563220205 /nfs/dbraw/zinc/22/02/05/563220205.db2.gz YTECOQBTGMDQLE-GFCCVEGCSA-N 1 0 397.317 2.547 20 0 GFADRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N(C)[C@H]1CCOc2ccc(Br)cc21 ZINC000418585275 563220938 /nfs/dbraw/zinc/22/09/38/563220938.db2.gz YHORQUABSRDABO-DFBGVHRSSA-N 1 0 382.302 2.912 20 0 GFADRO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)Cc1sccc1Br ZINC000294893040 563220954 /nfs/dbraw/zinc/22/09/54/563220954.db2.gz GEQQPFGLAMAQKR-UHFFFAOYSA-N 1 0 388.375 2.538 20 0 GFADRO CC[NH2+][C@H](C)CNC(=O)N(CCNC(C)=O)Cc1ccc(Cl)cc1Cl ZINC000418593864 563220978 /nfs/dbraw/zinc/22/09/78/563220978.db2.gz SWVAFFHDPYBMMB-GFCCVEGCSA-N 1 0 389.327 2.639 20 0 GFADRO Cn1ncc(Br)c1C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000294909981 563221805 /nfs/dbraw/zinc/22/18/05/563221805.db2.gz DWZCXQBNBQFXKD-CQSZACIVSA-N 1 0 377.286 2.577 20 0 GFADRO C[C@H](CCCC[NH3+])NC(=O)N(CCO)Cc1ccc(Br)s1 ZINC000418691056 563221942 /nfs/dbraw/zinc/22/19/42/563221942.db2.gz HPKBBNBCPBYBLK-LLVKDONJSA-N 1 0 378.336 2.532 20 0 GFADRO O=C(NCCNc1cccc(Br)c1)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000418657675 563221992 /nfs/dbraw/zinc/22/19/92/563221992.db2.gz IFWCOEVZJQXKNV-JKSUJKDBSA-N 1 0 381.318 2.548 20 0 GFADRO CCOC(=O)CCCCN1CCC(O)(c2scnc2Br)CC1 ZINC000369700887 563222032 /nfs/dbraw/zinc/22/20/32/563222032.db2.gz CHVNDTWCZVJVMB-UHFFFAOYSA-N 1 0 391.331 2.922 20 0 GFADRO C[C@H]([NH3+])[C@H](C)NC(=O)N1CCC(C(=O)Nc2ccccc2Br)CC1 ZINC000418712944 563222969 /nfs/dbraw/zinc/22/29/69/563222969.db2.gz XOJSTFYDEKTMRS-RYUDHWBXSA-N 1 0 397.317 2.545 20 0 GFADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[N@@H+]1CCC[C@H](COC)C1 ZINC000294948518 563223127 /nfs/dbraw/zinc/22/31/27/563223127.db2.gz VKIKSIBNFCORKF-KGLIPLIRSA-N 1 0 399.329 2.821 20 0 GFADRO O=C(CC[N@H+]1CCC[C@@H]([C@H](O)C(F)(F)F)C1)NCc1ccccc1Cl ZINC000277737298 563223264 /nfs/dbraw/zinc/22/32/64/563223264.db2.gz KOEWGNHTMCOAOZ-CJNGLKHVSA-N 1 0 378.822 2.982 20 0 GFADRO Cn1ncc(Br)c1C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000294943685 563223224 /nfs/dbraw/zinc/22/32/24/563223224.db2.gz VOBZQBIYMWNUST-GFCCVEGCSA-N 1 0 397.342 2.886 20 0 GFADRO CN(C(=O)[C@@H]1SCCc2sccc21)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000369728428 563223468 /nfs/dbraw/zinc/22/34/68/563223468.db2.gz ZNJDGZAGTXOKBE-MAUKXSAKSA-N 1 0 379.595 2.705 20 0 GFADRO Cc1cc(Br)c2c(c1)CN(C(=O)N[C@H]1C[NH2+]CCC1(F)F)CC2 ZINC000418770532 563224901 /nfs/dbraw/zinc/22/49/01/563224901.db2.gz SMVFTNFAWUGSDM-AWEZNQCLSA-N 1 0 388.256 2.822 20 0 GFADRO C[NH2+]CCCN(C)C(=O)C(=O)N[C@H](c1cccs1)c1ccc(Cl)cc1 ZINC000418771133 563224910 /nfs/dbraw/zinc/22/49/10/563224910.db2.gz XTUSPILMAYEZPS-INIZCTEOSA-N 1 0 379.913 2.675 20 0 GFADRO Cc1cc([C@@H]2CCCN2C(=O)NC[C@H]2C[NH2+]CCO2)ccc1Br ZINC000418766240 563225202 /nfs/dbraw/zinc/22/52/02/563225202.db2.gz MTJPIEWHQOJSOJ-ZBFHGGJFSA-N 1 0 382.302 2.592 20 0 GFADRO CCCN(C(=O)NC[C@H]1C[NH2+]CCN1C)[C@H](C)c1ccccc1Br ZINC000418766881 563225221 /nfs/dbraw/zinc/22/52/21/563225221.db2.gz QIFYCPRXGUOBIO-HUUCEWRRSA-N 1 0 397.361 2.835 20 0 GFADRO [NH3+][C@@H]1CCCN(C(=O)C(=O)N[C@@H](c2cccs2)c2ccc(Cl)cc2)C1 ZINC000418767316 563225235 /nfs/dbraw/zinc/22/52/35/563225235.db2.gz RXODOEIVTGGDDE-GDBMZVCRSA-N 1 0 377.897 2.557 20 0 GFADRO [NH3+]C[C@@H]1CC[C@H](NC(=O)N2CCO[C@H](c3cccc(Br)c3)C2)C1 ZINC000418788290 563225782 /nfs/dbraw/zinc/22/57/82/563225782.db2.gz KSDGPCQHRBSORI-KCXAZCMYSA-N 1 0 382.302 2.659 20 0 GFADRO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000418822165 563226508 /nfs/dbraw/zinc/22/65/08/563226508.db2.gz WBWFDELXFKZPDW-NUEKZKHPSA-N 1 0 386.323 2.797 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000418819974 563226724 /nfs/dbraw/zinc/22/67/24/563226724.db2.gz RGAYAMVINGYKJD-SPGJAERMSA-N 1 0 384.307 2.694 20 0 GFADRO CS(=O)(=O)[C@@H]1CCCC[N@H+](C[C@@H](O)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000277816596 563227600 /nfs/dbraw/zinc/22/76/00/563227600.db2.gz QNCPDNYBUQDFDQ-JKSUJKDBSA-N 1 0 379.444 2.508 20 0 GFADRO C[C@H](NC(=O)C(=O)N[C@H]1CCCC[C@H]1C[NH3+])c1cc(F)c(Cl)cc1Cl ZINC000418856241 563227774 /nfs/dbraw/zinc/22/77/74/563227774.db2.gz WLYZVSJIVRCVNT-YHAQOWFVSA-N 1 0 390.286 2.943 20 0 GFADRO CC(C)[C@@H](CNC(=O)C(=O)N[C@@H](C)CC[NH3+])Cc1ccc(Cl)cc1Cl ZINC000418857359 563227863 /nfs/dbraw/zinc/22/78/63/563227863.db2.gz RPXGWGDMQPHIJM-GXTWGEPZSA-N 1 0 388.339 2.778 20 0 GFADRO C[C@H](NC(=O)C(=O)NCCC1=CC[NH2+]CC1)c1cc(F)c(Cl)cc1Cl ZINC000418856913 563228188 /nfs/dbraw/zinc/22/81/88/563228188.db2.gz XTGLCUINGKJIIM-JTQLQIEISA-N 1 0 388.270 2.736 20 0 GFADRO CCCC[C@@H](C[NH3+])NC(=O)C(=O)N[C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000418891152 563229692 /nfs/dbraw/zinc/22/96/92/563229692.db2.gz LJRBLLXUNUJCCU-IHRRRGAJSA-N 1 0 386.323 2.989 20 0 GFADRO CS(=O)(=O)CC1CCC([NH2+]Cc2ccc(Cl)cc2-n2cncn2)CC1 ZINC000295126511 563230324 /nfs/dbraw/zinc/23/03/24/563230324.db2.gz NZQMGJCZQDEPSQ-UHFFFAOYSA-N 1 0 382.917 2.614 20 0 GFADRO COc1ccc(NC(=O)N[C@@H](C)CC[NH+](C)C)c(I)c1 ZINC000277932851 563232805 /nfs/dbraw/zinc/23/28/05/563232805.db2.gz FNEIHKOAIQBNAT-JTQLQIEISA-N 1 0 391.253 2.762 20 0 GFADRO C[C@H]([NH3+])C1CCN(C(=O)C(=O)N[C@@H]2CCc3c2ccc(Cl)c3Cl)CC1 ZINC000419088468 563233163 /nfs/dbraw/zinc/23/31/63/563233163.db2.gz BHHWEBQYYUPQJF-ZUZCIYMTSA-N 1 0 384.307 2.683 20 0 GFADRO CC1(CNC(=O)C(=O)N[C@H]2CCc3c2ccc(Cl)c3Cl)CC[NH2+]CC1 ZINC000419090918 563233188 /nfs/dbraw/zinc/23/31/88/563233188.db2.gz FYHPUCFYQLWCLO-AWEZNQCLSA-N 1 0 384.307 2.603 20 0 GFADRO C[C@H]([NH2+]C[C@@H]1CCC[C@]12NC(=O)N(C)C2=O)c1cc(Br)cs1 ZINC000370094949 563233259 /nfs/dbraw/zinc/23/32/59/563233259.db2.gz QIOJDCZJIIRKGV-YHAQOWFVSA-N 1 0 386.315 2.882 20 0 GFADRO CCC[NH2+]CCNC(=O)C(=O)N[C@H](c1ccsc1)c1ccc(Cl)cc1 ZINC000419126162 563233695 /nfs/dbraw/zinc/23/36/95/563233695.db2.gz MFIRZJXZJXMSML-INIZCTEOSA-N 1 0 379.913 2.723 20 0 GFADRO [NH3+]C[C@@H]1CCCN1C(=O)C(=O)N[C@H](c1ccsc1)c1ccc(Cl)cc1 ZINC000419127915 563234435 /nfs/dbraw/zinc/23/44/35/563234435.db2.gz TWRUOFFZDFNVMO-HOTGVXAUSA-N 1 0 377.897 2.557 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)[C@H]2CCCN2C(=O)c2ccc(Cl)s2)C1 ZINC000370139446 563234753 /nfs/dbraw/zinc/23/47/53/563234753.db2.gz WTBXWXCQARZICA-MGPQQGTHSA-N 1 0 383.945 2.995 20 0 GFADRO CCCN(C(=O)C(=O)NCCc1cc(Cl)cc(Cl)c1)C1CC[NH2+]CC1 ZINC000419155369 563234818 /nfs/dbraw/zinc/23/48/18/563234818.db2.gz STVUNDNAEOQHDE-UHFFFAOYSA-N 1 0 386.323 2.643 20 0 GFADRO C[C@H](NC(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1cccc(Cl)c1Cl ZINC000419237364 563235204 /nfs/dbraw/zinc/23/52/04/563235204.db2.gz CATMWDPCGZCGNF-ZDEQEGDKSA-N 1 0 384.307 2.675 20 0 GFADRO CN(C)S(=O)(=O)[C@@H]1CCCN(Cc2cc(-c3ccccc3Cl)on2)C1 ZINC000419254267 563235555 /nfs/dbraw/zinc/23/55/55/563235555.db2.gz AHPHBEOVTUJMMX-CQSZACIVSA-N 1 0 383.901 2.851 20 0 GFADRO CC(C)NS(=O)(=O)[C@@H]1CCN(Cc2cc(-c3ccccc3Cl)on2)C1 ZINC000419236883 563235641 /nfs/dbraw/zinc/23/56/41/563235641.db2.gz LGNLDIHEXPYSLV-CQSZACIVSA-N 1 0 383.901 2.897 20 0 GFADRO CCC[C@H](NC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)c1ccc(Cl)c(Cl)c1 ZINC000419300920 563236016 /nfs/dbraw/zinc/23/60/16/563236016.db2.gz JWFLIOMMUNIHQN-KCXAZCMYSA-N 1 0 384.307 2.771 20 0 GFADRO C[C@H](NC(=O)C(=O)NC[C@@H]1[NH2+]CCCC1(C)C)c1cccc(Br)c1 ZINC000419286074 563236144 /nfs/dbraw/zinc/23/61/44/563236144.db2.gz NSTKXCJIUVMKBB-WFASDCNBSA-N 1 0 396.329 2.521 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)N[C@H](C)Cc2ccc(Cl)cc2Cl)C1 ZINC000419288847 563236290 /nfs/dbraw/zinc/23/62/90/563236290.db2.gz UAMLCYSVRMBRBB-BZPMIXESSA-N 1 0 386.323 2.626 20 0 GFADRO C[C@@H]([NH3+])C1CCN(C(=O)C(=O)N[C@@H](C)Cc2ccc(Cl)cc2Cl)CC1 ZINC000419293183 563236420 /nfs/dbraw/zinc/23/64/20/563236420.db2.gz YXUUGZNCRCQPEL-NWDGAFQWSA-N 1 0 386.323 2.626 20 0 GFADRO [NH3+][C@H](CNC(=O)[C@H]1CCCN1C(=O)c1ccc(Cl)s1)c1ccccc1 ZINC000370193404 563236484 /nfs/dbraw/zinc/23/64/84/563236484.db2.gz JYYZJQCWBCEPHK-ZIAGYGMSSA-N 1 0 377.897 2.822 20 0 GFADRO COc1cc(Br)ccc1CCC[N@@H+]1C[C@H](C)N(CCO)C[C@@H]1C ZINC000419326377 563236751 /nfs/dbraw/zinc/23/67/51/563236751.db2.gz BYSLVEWBGFTZKQ-GJZGRUSLSA-N 1 0 385.346 2.777 20 0 GFADRO C[C@H]([NH2+][C@H]1CCOC[C@@H]1C)C(=O)Nc1cccc(I)c1 ZINC000278039881 563237544 /nfs/dbraw/zinc/23/75/44/563237544.db2.gz XLWBGNOCEVHSTO-MJVIPROJSA-N 1 0 388.249 2.633 20 0 GFADRO C[C@H](NC(=O)CN1C[C@@H](C)[N@H+](CCO)C[C@H]1C)c1ccc(Cl)c(Cl)c1 ZINC000419335314 563238094 /nfs/dbraw/zinc/23/80/94/563238094.db2.gz VZXIMKUUYJZOOM-MCIONIFRSA-N 1 0 388.339 2.558 20 0 GFADRO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)N[C@@H]1CCSc2ccc(Cl)cc21 ZINC000419412845 563240153 /nfs/dbraw/zinc/24/01/53/563240153.db2.gz ROSQCVJECZHZEZ-XJKCOSOUSA-N 1 0 383.945 2.973 20 0 GFADRO C[C@H](CNC(=O)C(=O)NCCC1=CC[NH2+]CC1)c1c(Cl)cccc1Cl ZINC000419518722 563241317 /nfs/dbraw/zinc/24/13/17/563241317.db2.gz OEEPWRJTDDPBFU-GFCCVEGCSA-N 1 0 384.307 2.639 20 0 GFADRO CCCN(C(=O)C(=O)N[C@H](C)Cc1c(Cl)cccc1Cl)[C@H]1CC[NH2+]C1 ZINC000419595321 563243157 /nfs/dbraw/zinc/24/31/57/563243157.db2.gz OVIHDPQXIPAEDM-OLZOCXBDSA-N 1 0 386.323 2.641 20 0 GFADRO CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)c3ccccc3Br)C2)CC1 ZINC000370423366 563243588 /nfs/dbraw/zinc/24/35/88/563243588.db2.gz KUWJULWAFAQACH-OAHLLOKOSA-N 1 0 380.330 2.690 20 0 GFADRO C[C@H]1C[C@@H](C(=O)N[C@H]2CCN(c3ccccc3Br)C2)CC[N@@H+]1C ZINC000370483583 563245843 /nfs/dbraw/zinc/24/58/43/563245843.db2.gz HTWVFGYVZLSELT-KKUMJFAQSA-N 1 0 380.330 2.874 20 0 GFADRO CC(C)(CNC(=O)C(=O)N[C@H]1CCCC[NH2+]C1)c1c(Cl)cccc1Cl ZINC000419693096 563246218 /nfs/dbraw/zinc/24/62/18/563246218.db2.gz IDSGAVCOVFCDSW-LBPRGKRZSA-N 1 0 386.323 2.646 20 0 GFADRO CC(C)c1ccc([C@@H]([NH3+])CNC(=O)C(=O)NCc2ccc(Cl)s2)cc1 ZINC000419691559 563246352 /nfs/dbraw/zinc/24/63/52/563246352.db2.gz MLXSPMWMIRJVGZ-HNNXBMFYSA-N 1 0 379.913 2.957 20 0 GFADRO CCOC1(C[NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)CCCC1 ZINC000419750373 563249556 /nfs/dbraw/zinc/24/95/56/563249556.db2.gz RRCMNMNUSLFINZ-UHFFFAOYSA-N 1 0 391.331 2.535 20 0 GFADRO CCC[C@H](O)[C@H](CO)[NH2+]Cc1cc(Br)cc(C)c1OC(F)F ZINC000419801314 563250927 /nfs/dbraw/zinc/25/09/27/563250927.db2.gz AMAKVJZVKZWCNO-STQMWFEESA-N 1 0 382.245 2.970 20 0 GFADRO C[NH+](C)C1(CNC(=O)C(=O)Nc2ccc(Br)c3ccccc23)CC1 ZINC000419794544 563251080 /nfs/dbraw/zinc/25/10/80/563251080.db2.gz GSQGYJFVMDFUFW-UHFFFAOYSA-N 1 0 390.281 2.751 20 0 GFADRO O=C(NCc1ccc(Cl)cc1Cl)C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000419794021 563251265 /nfs/dbraw/zinc/25/12/65/563251265.db2.gz KGDLLSBIKLUVAO-UHFFFAOYSA-N 1 0 384.307 2.600 20 0 GFADRO CCC[C@H](O)[C@H](CO)[NH2+]Cc1ccc(OC(F)(F)F)c(Br)c1 ZINC000419834546 563251386 /nfs/dbraw/zinc/25/13/86/563251386.db2.gz XFLIKDLLMKRXMF-RYUDHWBXSA-N 1 0 386.208 2.959 20 0 GFADRO C[C@H]1c2cc(Cl)c(Cl)cc2CCN1C(=O)C(=O)NCCC[NH2+]C1CC1 ZINC000419847781 563252221 /nfs/dbraw/zinc/25/22/21/563252221.db2.gz SGROAIVUAAUBEP-NSHDSACASA-N 1 0 384.307 2.697 20 0 GFADRO CC(C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000419906882 563252575 /nfs/dbraw/zinc/25/25/75/563252575.db2.gz AVTNRNYEDXJEIG-CYBMUJFWSA-N 1 0 386.323 2.846 20 0 GFADRO CC(C)Cn1ccnc1C[NH2+]C1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000370685585 563252568 /nfs/dbraw/zinc/25/25/68/563252568.db2.gz FGQKQTWBZOEEDJ-UHFFFAOYSA-N 1 0 382.555 2.544 20 0 GFADRO COc1ccc(Br)c(CN2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)c1 ZINC000370710619 563253331 /nfs/dbraw/zinc/25/33/31/563253331.db2.gz UKWTUKHLHZWHPF-KXBFYZLASA-N 1 0 396.373 2.916 20 0 GFADRO CS[C@@H](CO)[C@@H](C)NC(=O)C1CC[NH+](Cc2ccc(Cl)s2)CC1 ZINC000370735597 563253818 /nfs/dbraw/zinc/25/38/18/563253818.db2.gz WGWOWKFHBACDFG-RISCZKNCSA-N 1 0 376.975 2.842 20 0 GFADRO Cc1cc(Br)c(C(=O)N[C@H]2CCC[N@H+](CCCO)C2)cc1Cl ZINC000295573439 563254539 /nfs/dbraw/zinc/25/45/39/563254539.db2.gz VFWCHMZFGWBRDP-LBPRGKRZSA-N 1 0 389.721 2.988 20 0 GFADRO O=S(=O)(CCO)c1ccc(C[NH2+]CCCc2c(F)cccc2Cl)cc1 ZINC000278437668 563255806 /nfs/dbraw/zinc/25/58/06/563255806.db2.gz VGOOBROTQGSSME-UHFFFAOYSA-N 1 0 385.888 2.968 20 0 GFADRO CC[C@@H](Cc1ccccc1Br)C(=O)NC[C@@](C)(O)CC[NH+](C)C ZINC000420015843 563256835 /nfs/dbraw/zinc/25/68/35/563256835.db2.gz MHRBTUQVWXOXPP-KSSFIOAISA-N 1 0 385.346 2.837 20 0 GFADRO C[C@@H]1c2c(Cl)cc(Cl)cc2CCN1C(=O)C(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000420189101 563259353 /nfs/dbraw/zinc/25/93/53/563259353.db2.gz FVABISUZFWKREZ-UHIISALHSA-N 1 0 384.307 2.683 20 0 GFADRO C[C@@H]1c2c(Cl)cc(Cl)cc2CCN1C(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000420189097 563259510 /nfs/dbraw/zinc/25/95/10/563259510.db2.gz FVABISUZFWKREZ-SUNKGSAMSA-N 1 0 384.307 2.683 20 0 GFADRO [NH3+]C[C@@H]1CC[C@H](NC(=O)C(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000420190136 563259555 /nfs/dbraw/zinc/25/95/55/563259555.db2.gz GTSOGIOYOCSOTR-PVXIVEMSSA-N 1 0 384.307 2.901 20 0 GFADRO Cn1cc([C@@H]2[C@@H](CNC(=O)c3cc(Cl)c(Cl)n3C)CCC[N@@H+]2C)cn1 ZINC000370919853 563259929 /nfs/dbraw/zinc/25/99/29/563259929.db2.gz YIEAYKOLNDTSJX-ABAIWWIYSA-N 1 0 384.311 2.878 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000295746769 563260734 /nfs/dbraw/zinc/26/07/34/563260734.db2.gz PGFDSFAUXQMQRB-ZENOOKHLSA-N 1 0 399.329 2.603 20 0 GFADRO CSCC[C@@H](O)C(=O)N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000295773630 563261573 /nfs/dbraw/zinc/26/15/73/563261573.db2.gz IRNLUZBSPISORN-HUUCEWRRSA-N 1 0 376.444 2.510 20 0 GFADRO O=S(=O)(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000420446104 563263509 /nfs/dbraw/zinc/26/35/09/563263509.db2.gz GPTWKGJYMNCGGU-PELKAZGASA-N 1 0 388.333 2.707 20 0 GFADRO [NH3+]CC[C@H](NS(=O)(=O)c1cc(Cl)ccc1OCCC1CC1)C(F)F ZINC000420451628 563263746 /nfs/dbraw/zinc/26/37/46/563263746.db2.gz BSOAIGSTHRTRNU-LBPRGKRZSA-N 1 0 382.860 2.780 20 0 GFADRO O=S(=O)(c1ccc(C(F)(F)F)cc1F)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420456182 563263910 /nfs/dbraw/zinc/26/39/10/563263910.db2.gz GSAUPKWFEGIVJM-FZMZJTMJSA-N 1 0 380.407 2.997 20 0 GFADRO O=S(=O)(c1cccc(Br)c1F)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420466817 563264592 /nfs/dbraw/zinc/26/45/92/563264592.db2.gz RODRYGMUXIKRQO-AAEUAGOBSA-N 1 0 391.306 2.741 20 0 GFADRO Cn1cc(N2CC[C@@H]([NH2+][C@@H]3CCc4c3ccc(F)c4Br)C2=O)cn1 ZINC000295829067 563264624 /nfs/dbraw/zinc/26/46/24/563264624.db2.gz VFPVVRUOTKUBFC-HUUCEWRRSA-N 1 0 393.260 2.704 20 0 GFADRO O=C(N[C@@H]1CCOc2ccc(Br)cc21)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000278648651 563264912 /nfs/dbraw/zinc/26/49/12/563264912.db2.gz AJFUAOXKOYUOPF-ZWNOBZJWSA-N 1 0 391.269 2.503 20 0 GFADRO O=C(CCC[N@@H+]1CCc2n[nH]c(=O)cc2C1)c1ccc(Br)cc1 ZINC000295832567 563264935 /nfs/dbraw/zinc/26/49/35/563264935.db2.gz WEIWWJNFLOEOLV-UHFFFAOYSA-N 1 0 376.254 2.554 20 0 GFADRO COc1cc(C[NH2+]CCC[C@H](C)O)cc(I)c1OC ZINC000278685415 563266337 /nfs/dbraw/zinc/26/63/37/563266337.db2.gz PKFJMAHEHFNGCY-JTQLQIEISA-N 1 0 379.238 2.559 20 0 GFADRO Cn1c(Cl)cnc1CN1CCC[N@H+](C[C@H](O)c2cccc(Cl)c2)CC1 ZINC000371103283 563265140 /nfs/dbraw/zinc/26/51/40/563265140.db2.gz BCGKVFZFFAJADU-INIZCTEOSA-N 1 0 383.323 2.968 20 0 GFADRO Cc1cc(S(=O)(=O)N2CC[C@H](C)[C@@H](C[NH3+])C2)c(F)cc1Br ZINC000420472458 563265297 /nfs/dbraw/zinc/26/52/97/563265297.db2.gz BRWXLVKLUKLIHO-ONGXEEELSA-N 1 0 379.295 2.502 20 0 GFADRO Cc1ccc(S(=O)(=O)N2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c(Br)c1 ZINC000420470763 563265359 /nfs/dbraw/zinc/26/53/59/563265359.db2.gz XNVIDQHXAFBYGJ-HIFRSBDPSA-N 1 0 387.343 2.910 20 0 GFADRO C[C@@H]1CCN(S(=O)(=O)c2cc(Br)ccc2Cl)C[C@H]1C[NH3+] ZINC000420480793 563266108 /nfs/dbraw/zinc/26/61/08/563266108.db2.gz PMMUWWHETCGEFV-NXEZZACHSA-N 1 0 381.723 2.708 20 0 GFADRO COc1ccc(CN2CCC3(CCOC3=O)CC2)c(Br)c1OC ZINC000371151196 563267121 /nfs/dbraw/zinc/26/71/21/563267121.db2.gz LHJOLAFSRPZLPF-UHFFFAOYSA-N 1 0 384.270 2.995 20 0 GFADRO C[C@@H](CNS(=O)(=O)c1cc(F)ccc1OC(F)F)[N@@H+]1CCCC[C@H]1C ZINC000420660941 563270789 /nfs/dbraw/zinc/27/07/89/563270789.db2.gz ZDDNHDYPGWCEIW-NEPJUHHUSA-N 1 0 380.432 2.968 20 0 GFADRO CC[C@H](C)[NH+]1CCN(CC(=O)N(C)Cc2cc(Br)cs2)CC1 ZINC000296019285 563271119 /nfs/dbraw/zinc/27/11/19/563271119.db2.gz LRENUMSSKAOKJN-ZDUSSCGKSA-N 1 0 388.375 2.885 20 0 GFADRO CCC[NH+]1CCC(N(C)S(=O)(=O)c2cc(F)ccc2OC(F)F)CC1 ZINC000420666203 563271651 /nfs/dbraw/zinc/27/16/51/563271651.db2.gz SJFSTGDTHXMSLR-UHFFFAOYSA-N 1 0 380.432 2.922 20 0 GFADRO O=C(NC1(c2cccc(Br)c2)CC1)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000278922175 563276231 /nfs/dbraw/zinc/27/62/31/563276231.db2.gz DFIPXEPYCIRFGA-LLVKDONJSA-N 1 0 375.270 2.668 20 0 GFADRO O=C(NC1(c2cccc(Br)c2)CC1)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000278922178 563276312 /nfs/dbraw/zinc/27/63/12/563276312.db2.gz DFIPXEPYCIRFGA-NSHDSACASA-N 1 0 375.270 2.668 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)Cc1cc[nH]c(=O)c1Br)c1cccc(F)c1 ZINC000279028319 563281211 /nfs/dbraw/zinc/28/12/11/563281211.db2.gz JVBWHROFNJVZSE-AWEZNQCLSA-N 1 0 396.260 2.650 20 0 GFADRO COc1nccnc1C[NH2+]C[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000296316389 563282997 /nfs/dbraw/zinc/28/29/97/563282997.db2.gz GXEDMNMWJVXLBY-CYBMUJFWSA-N 1 0 377.286 2.864 20 0 GFADRO O=C(Nc1cc(Br)ccc1F)C(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000296354250 563284223 /nfs/dbraw/zinc/28/42/23/563284223.db2.gz ZXOXABMKHLAXED-UHFFFAOYSA-N 1 0 398.276 2.660 20 0 GFADRO CCc1n[nH]c(C(=O)NC2CC[NH+](Cc3ccccn3)CC2)c1Br ZINC000279113402 563284296 /nfs/dbraw/zinc/28/42/96/563284296.db2.gz YYSIAWSTNFHBMT-UHFFFAOYSA-N 1 0 392.301 2.524 20 0 GFADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC000296369291 563285148 /nfs/dbraw/zinc/28/51/48/563285148.db2.gz SNNMOWGYNVCVPQ-SJKOYZFVSA-N 1 0 387.307 2.739 20 0 GFADRO C[C@@H](CNC(=O)N(C)C[C@H]1CCC[N@@H+]1C)Oc1ccc(Br)cc1 ZINC000420785706 563285467 /nfs/dbraw/zinc/28/54/67/563285467.db2.gz AMWQOHWCZXAYDW-DZGCQCFKSA-N 1 0 384.318 2.952 20 0 GFADRO COc1cc(Br)c(C[NH2+][C@@H]2CCN(c3ccn(C)n3)C2)cc1OC ZINC000371716539 563285990 /nfs/dbraw/zinc/28/59/90/563285990.db2.gz XXUIRVPCWGEPPK-CYBMUJFWSA-N 1 0 395.301 2.568 20 0 GFADRO C[C@@H](C(F)(F)F)S(=O)(=O)[N-]CC1CC[NH+](CCc2ccccc2)CC1 ZINC000371958032 563292205 /nfs/dbraw/zinc/29/22/05/563292205.db2.gz CPJFUPUQYKCRGT-AWEZNQCLSA-N 1 0 378.460 2.811 20 0 GFADRO CNC(=O)[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)C1 ZINC000420980530 563293486 /nfs/dbraw/zinc/29/34/86/563293486.db2.gz UVPDSEPYRMZKCH-UWVGGRQHSA-N 1 0 377.794 2.754 20 0 GFADRO COC(=O)c1ccc(C[NH2+][C@@H](C)C2(OC)CCOCC2)c(Br)c1 ZINC000421037156 563294085 /nfs/dbraw/zinc/29/40/85/563294085.db2.gz RLXADASLUNVOIT-LBPRGKRZSA-N 1 0 386.286 2.909 20 0 GFADRO O=C(NC[C@H](CO)Cc1ccccc1Br)C1CC[NH+](C2CC2)CC1 ZINC000279367399 563294578 /nfs/dbraw/zinc/29/45/78/563294578.db2.gz WFYHVJRHAZBQNQ-CQSZACIVSA-N 1 0 395.341 2.591 20 0 GFADRO CCOC(=O)c1cc(CN[C@H](C(N)=O)c2cccc(Br)c2)[nH]c1C ZINC000296637884 563294751 /nfs/dbraw/zinc/29/47/51/563294751.db2.gz CGBXQUHKGXYPQE-HNNXBMFYSA-N 1 0 394.269 2.579 20 0 GFADRO O=C(CCOc1ccccc1Br)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000372111401 563296678 /nfs/dbraw/zinc/29/66/78/563296678.db2.gz RQAMRHATNWJCIG-OAHLLOKOSA-N 1 0 397.313 2.588 20 0 GFADRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+]C[C@H](O)c2cc(F)cc(Cl)c2)cc1 ZINC000279494304 563298370 /nfs/dbraw/zinc/29/83/70/563298370.db2.gz MABSBIFAKSACPD-GTNSWQLSSA-N 1 0 386.876 2.771 20 0 GFADRO CON1CCC([NH2+][C@H]2CCCN(c3ccc(Br)c(C)c3)C2=O)CC1 ZINC000421211653 563300384 /nfs/dbraw/zinc/30/03/84/563300384.db2.gz VINWUXRYLLNRNN-KRWDZBQOSA-N 1 0 396.329 2.868 20 0 GFADRO O=C(NC1CC[NH+](CC2CC2)CC1)c1c[nH]c2ncc(Br)cc12 ZINC000279549758 563300856 /nfs/dbraw/zinc/30/08/56/563300856.db2.gz NXUSKMXKAAJZHD-UHFFFAOYSA-N 1 0 377.286 2.930 20 0 GFADRO C[N@@H+]1CCCN(C(=O)Nc2ccn(-c3ccc(Br)cc3)n2)CC1 ZINC000296817948 563302945 /nfs/dbraw/zinc/30/29/45/563302945.db2.gz IMCRYOSTXOAZRJ-UHFFFAOYSA-N 1 0 378.274 2.804 20 0 GFADRO CN(C(=O)[C@H]1CCCN1c1ncc(C(F)(F)F)cc1Cl)[C@H]1CC[NH2+]C1 ZINC000372399284 563304784 /nfs/dbraw/zinc/30/47/84/563304784.db2.gz GSGHUYIFIPWLCH-WCQYABFASA-N 1 0 376.810 2.543 20 0 GFADRO [NH3+][C@@H]1CN(C(=O)c2ccncc2Br)CC[C@@H]1c1ccc(F)cc1 ZINC000296858606 563305452 /nfs/dbraw/zinc/30/54/52/563305452.db2.gz DDMKEXOPSXLHRZ-CZUORRHYSA-N 1 0 378.245 2.940 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)C(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000421306371 563306474 /nfs/dbraw/zinc/30/64/74/563306474.db2.gz WEVHQTLHLJNMQD-CQSZACIVSA-N 1 0 382.302 2.503 20 0 GFADRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)Nc1ccc(C(F)(F)F)cc1Cl ZINC000421300796 563306516 /nfs/dbraw/zinc/30/65/16/563306516.db2.gz OYZSTZUVSJPRLV-LLVKDONJSA-N 1 0 377.794 2.850 20 0 GFADRO NC(=O)CC1(C[NH2+]Cc2ccc(Br)c(Br)c2)CC1 ZINC000421351030 563308706 /nfs/dbraw/zinc/30/87/06/563308706.db2.gz NGYQHBZZCNHSMO-UHFFFAOYSA-N 1 0 376.092 2.957 20 0 GFADRO CC(C)(O)C[N@@H+]1CCCN(CCC(=O)Nc2cccc(Br)c2)CC1 ZINC000372543537 563309970 /nfs/dbraw/zinc/30/99/70/563309970.db2.gz FABYMPACPQJJJQ-UHFFFAOYSA-N 1 0 398.345 2.556 20 0 GFADRO CN1CCC[C@@]2(CC[N@H+](C[C@@H](O)COc3ccc(Cl)cc3Cl)C2)C1=O ZINC000372558968 563310960 /nfs/dbraw/zinc/31/09/60/563310960.db2.gz XAOMNCYARNZLIC-KDOFPFPSSA-N 1 0 387.307 2.677 20 0 GFADRO C[N@@H+]1CCC[C@@H](CNS(=O)(=O)Cc2ccon2)[C@H]1c1cccc(Cl)c1 ZINC000372625622 563312295 /nfs/dbraw/zinc/31/22/95/563312295.db2.gz OBDMRWCTZLVCMK-WMLDXEAASA-N 1 0 383.901 2.831 20 0 GFADRO CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)[C@H]3SCCc4sccc43)C2)CC1 ZINC000372743295 563316076 /nfs/dbraw/zinc/31/60/76/563316076.db2.gz VTAAEZOLDMIVEO-QAPCUYQASA-N 1 0 379.595 2.705 20 0 GFADRO C[C@@H]1C[N@@H+](CCCNC(=O)N[C@H](c2nccs2)C(F)(F)F)C[C@H](C)O1 ZINC000297118543 563316131 /nfs/dbraw/zinc/31/61/31/563316131.db2.gz XRPLTDRVBDVUCE-GRYCIOLGSA-N 1 0 380.436 2.545 20 0 GFADRO C[C@H](Cn1ccnc1)[NH2+][C@@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000280038541 563319502 /nfs/dbraw/zinc/31/95/02/563319502.db2.gz IRPCJMUBFJLVSN-ZJUUUORDSA-N 1 0 377.297 2.577 20 0 GFADRO Cc1ncc(C(=O)N2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)c(Cl)c1Cl ZINC000372854331 563319638 /nfs/dbraw/zinc/31/96/38/563319638.db2.gz DAMMZQURPZKGFG-WFASDCNBSA-N 1 0 385.339 2.795 20 0 GFADRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)c1cc(Br)cnc1OCC1CC1 ZINC000421709524 563319815 /nfs/dbraw/zinc/31/98/15/563319815.db2.gz FRKGASJCSHODHF-AWEZNQCLSA-N 1 0 382.302 2.799 20 0 GFADRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)C1CCN(C(=O)c2ccc(Cl)s2)CC1 ZINC000421708337 563319868 /nfs/dbraw/zinc/31/98/68/563319868.db2.gz ZXONFQMBUMMEPQ-CQSZACIVSA-N 1 0 383.945 2.806 20 0 GFADRO CN(C[C@H](O)c1ccccc1Br)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000297224306 563320058 /nfs/dbraw/zinc/32/00/58/563320058.db2.gz XWAMVSUMUBWROV-GUYCJALGSA-N 1 0 396.329 2.608 20 0 GFADRO CC1CC[NH+](C[C@@H]2CCCN(C(=O)c3ccc(S(C)(=O)=O)s3)C2)CC1 ZINC000421758917 563321369 /nfs/dbraw/zinc/32/13/69/563321369.db2.gz SNXGPSJPZKDDKD-HNNXBMFYSA-N 1 0 384.567 2.736 20 0 GFADRO Cc1cc(NC(=O)CNC(=O)C[C@H]2CCC[NH2+]CC2)ccc1Br ZINC000372924787 563322720 /nfs/dbraw/zinc/32/27/20/563322720.db2.gz QDRJBVIRKSJEGZ-ZDUSSCGKSA-N 1 0 382.302 2.592 20 0 GFADRO COc1cc(CNC(=O)C[C@H]2CCC[NH2+]CC2)cc(Br)c1OC ZINC000372926830 563322999 /nfs/dbraw/zinc/32/29/99/563322999.db2.gz UNDZWUUERCSGNL-LBPRGKRZSA-N 1 0 385.302 2.862 20 0 GFADRO C[NH+](C)CCn1nccc1NC(=O)N[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000297369869 563324918 /nfs/dbraw/zinc/32/49/18/563324918.db2.gz LEHKTVAWNWGPHB-LSDHHAIUSA-N 1 0 392.301 2.885 20 0 GFADRO OC[C@@H](C[NH2+]Cc1cc(Br)ccc1OC(F)F)[C@H]1CCOC1 ZINC000280177162 563325593 /nfs/dbraw/zinc/32/55/93/563325593.db2.gz BYYZQIAAGOUDHV-CMPLNLGQSA-N 1 0 380.229 2.785 20 0 GFADRO CCOc1cc(CN2CC[C@@H](NC(=O)NC3CC3)C2)cc(Br)c1O ZINC000297592489 563330339 /nfs/dbraw/zinc/33/03/39/563330339.db2.gz JJIFXZCETFHREA-CYBMUJFWSA-N 1 0 398.301 2.589 20 0 GFADRO CCCC[C@@H](COC)[NH2+][C@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000280439554 563337386 /nfs/dbraw/zinc/33/73/86/563337386.db2.gz BYQMXUAQGGGJEZ-YPMHNXCESA-N 1 0 393.347 2.952 20 0 GFADRO CN(CC[NH+](C)C)C(=O)Nc1ccc(-c2ccc(Br)s2)nn1 ZINC000280448875 563338115 /nfs/dbraw/zinc/33/81/15/563338115.db2.gz GRTUNPIHTOLFPJ-UHFFFAOYSA-N 1 0 384.303 2.993 20 0 GFADRO COc1c(Br)cccc1C[NH2+][C@H]1CCN(C(=O)c2cccnc2)C1 ZINC000373450549 563338907 /nfs/dbraw/zinc/33/89/07/563338907.db2.gz ACXFIJVYSPDTEM-HNNXBMFYSA-N 1 0 390.281 2.857 20 0 GFADRO Fc1ccc(I)c(F)c1CN1CCC2(CC[NH2+]2)CC1 ZINC000422562250 563343329 /nfs/dbraw/zinc/34/33/29/563343329.db2.gz PRAZGKKTDYKNNC-UHFFFAOYSA-N 1 0 378.204 2.897 20 0 GFADRO C[C@@H]1C[C@H](C)N(S(=O)(=O)c2cc(F)ccc2Br)C[C@H]1C[NH3+] ZINC000422556356 563343533 /nfs/dbraw/zinc/34/35/33/563343533.db2.gz SSXZRQMMZPMTFR-OUAUKWLOSA-N 1 0 379.295 2.582 20 0 GFADRO CC(C)(CC[NH3+])NC(=O)Nc1ccnn1Cc1cccc(Br)c1 ZINC000422576224 563343810 /nfs/dbraw/zinc/34/38/10/563343810.db2.gz QRAVUJVMEQTUJK-UHFFFAOYSA-N 1 0 380.290 2.943 20 0 GFADRO COc1cc(C(=O)N2c3ccccc3C[C@@H]2C[NH3+])cc(OC)c1Br ZINC000422622129 563345152 /nfs/dbraw/zinc/34/51/52/563345152.db2.gz ZTQHBTZREMVIQY-CYBMUJFWSA-N 1 0 391.265 2.997 20 0 GFADRO C[C@H]1C[N@H+](CCC(=O)Nc2ccccc2Br)C[C@]2(CCOC2)O1 ZINC000280603498 563345577 /nfs/dbraw/zinc/34/55/77/563345577.db2.gz VJDCTCFSAFCZCF-GUYCJALGSA-N 1 0 383.286 2.658 20 0 GFADRO C[C@@H]([NH3+])[C@H](Cc1ccccc1)NCC(=O)Nc1ccc(Br)cc1 ZINC000422697035 563348617 /nfs/dbraw/zinc/34/86/17/563348617.db2.gz TXVBELQXIBXDIE-DYVFJYSZSA-N 1 0 376.298 2.936 20 0 GFADRO CCOC(=O)[C@@H]1NCC[C@@H]1[NH2+]CCOc1c(Cl)cc(Cl)cc1Cl ZINC000422835366 563350000 /nfs/dbraw/zinc/35/00/00/563350000.db2.gz IMMLACVJIGKFLM-QWHCGFSZSA-N 1 0 381.687 2.909 20 0 GFADRO C[C@H](C[C@H]1COCCN1)[NH2+]C[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000422895754 563350176 /nfs/dbraw/zinc/35/01/76/563350176.db2.gz GMSUMHWZDHJILP-VYDXJSESSA-N 1 0 382.346 2.632 20 0 GFADRO C[C@@H](NCCC(=O)N(C)Cc1ccccc1Br)[C@H]1CCCC[NH2+]1 ZINC000422907473 563350808 /nfs/dbraw/zinc/35/08/08/563350808.db2.gz LHOLEKLGMHEAKB-RHSMWYFYSA-N 1 0 382.346 2.918 20 0 GFADRO O=S1(=O)CC[C@H]([NH2+]C2CCN(c3cc4ccccc4c(Cl)n3)CC2)C1 ZINC000373795130 563350910 /nfs/dbraw/zinc/35/09/10/563350910.db2.gz LVWKJDROFZCKIK-HNNXBMFYSA-N 1 0 379.913 2.634 20 0 GFADRO CCOC(=O)[C@H]1NCC[C@H]1[NH2+]CCc1cc(Cl)ccc1Br ZINC000423002142 563352560 /nfs/dbraw/zinc/35/25/60/563352560.db2.gz YKGRXWVQVOKAEL-KGLIPLIRSA-N 1 0 375.694 2.528 20 0 GFADRO CC(C)[C@H](C(=O)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1)[C@@H](C)[NH3+] ZINC000422962890 563352703 /nfs/dbraw/zinc/35/27/03/563352703.db2.gz GZDBGPYVRKTLKP-WBMJQRKESA-N 1 0 386.323 2.897 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N(Cc2cccs2)Cc2cccs2)C1 ZINC000423018305 563353028 /nfs/dbraw/zinc/35/30/28/563353028.db2.gz QSFYRHRLLXEBPL-ZIAGYGMSSA-N 1 0 377.535 2.534 20 0 GFADRO CCOC(=O)[C@@H]1NCC[C@@H]1[NH2+][C@@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000423045557 563353402 /nfs/dbraw/zinc/35/34/02/563353402.db2.gz CEMJKPBUMKMSGB-ARFHVFGLSA-N 1 0 385.277 2.923 20 0 GFADRO CN(Cc1ccc(Cl)s1)C(=O)C(=O)N1CCC([C@@H]2[NH2+]CC2(C)C)CC1 ZINC000423020625 563353419 /nfs/dbraw/zinc/35/34/19/563353419.db2.gz CGFZXZSICDAOKJ-HNNXBMFYSA-N 1 0 383.945 2.597 20 0 GFADRO CN(C)C(=O)CC[NH2+][C@H](CO)c1ccc(Br)cc1C(F)(F)F ZINC000280776254 563353851 /nfs/dbraw/zinc/35/38/51/563353851.db2.gz PPEUODJHEKOOHB-GFCCVEGCSA-N 1 0 383.208 2.569 20 0 GFADRO C[C@@H]1CC[NH2+][C@@H](C(=O)N2CCN(C(=O)c3c(Cl)cccc3Cl)CC2)C1 ZINC000423065579 563353925 /nfs/dbraw/zinc/35/39/25/563353925.db2.gz UWLHEZAKISUGLU-IUODEOHRSA-N 1 0 384.307 2.666 20 0 GFADRO C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)C(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000423080990 563354360 /nfs/dbraw/zinc/35/43/60/563354360.db2.gz CDAIIUZCPBZUTN-AGIUHOORSA-N 1 0 384.307 2.581 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CNC(=O)[C@H]1[NH2+]CCCC1(C)C ZINC000423109319 563355598 /nfs/dbraw/zinc/35/55/98/563355598.db2.gz NKXDVSVQGBTXLZ-OAHLLOKOSA-N 1 0 382.302 2.590 20 0 GFADRO CCC(CC)[C@@H](O)C[NH2+][C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000280823737 563355792 /nfs/dbraw/zinc/35/57/92/563355792.db2.gz WXGFLUDZGQDYPI-HZMBPMFUSA-N 1 0 393.347 2.544 20 0 GFADRO CN(Cc1cc(Br)ccc1F)C(=O)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000423123318 563356327 /nfs/dbraw/zinc/35/63/27/563356327.db2.gz MJIIMZNXCBZHQV-HNNXBMFYSA-N 1 0 395.276 2.981 20 0 GFADRO CCN(CC)S(=O)(=O)c1ccc(CC[NH2+]Cc2ccnn2C(C)C)s1 ZINC000280839734 563356562 /nfs/dbraw/zinc/35/65/62/563356562.db2.gz KMFPGWWOMRBZDM-UHFFFAOYSA-N 1 0 384.571 2.888 20 0 GFADRO CC[NH2+]CC1CCN(C(=O)C(=O)N(C)Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000423152472 563357216 /nfs/dbraw/zinc/35/72/16/563357216.db2.gz FFPBPIMYUFKHJP-UHFFFAOYSA-N 1 0 386.323 2.800 20 0 GFADRO COc1ccc(C[C@H](CO)CN[C@@H](C)[C@H]2CCCC[NH2+]2)cc1Br ZINC000423165757 563357711 /nfs/dbraw/zinc/35/77/11/563357711.db2.gz UVHDXTKIMWSKIM-JLJPHGGASA-N 1 0 385.346 2.729 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)N(C)C[C@H](O)c2cccc(Br)c2)C[N@@H+]1C1CC1 ZINC000298534655 563358985 /nfs/dbraw/zinc/35/89/85/563358985.db2.gz CSFRIENJPANDSR-PVUWLOKVSA-N 1 0 396.329 2.749 20 0 GFADRO C[C@H](N[C@@H]1CCCC[C@H]1C[NH3+])c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000423278700 563359684 /nfs/dbraw/zinc/35/96/84/563359684.db2.gz QFKUFNXFMOSYAF-PKFCDNJMSA-N 1 0 380.341 2.809 20 0 GFADRO Cc1cc(N)cc(C[NH2+][C@H](C)c2ccc(Br)c(S(N)(=O)=O)c2)c1 ZINC000423467835 563361336 /nfs/dbraw/zinc/36/13/36/563361336.db2.gz AXIQJWMRICWNDP-LLVKDONJSA-N 1 0 398.326 2.838 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N2CCc3cc(Cl)cc(Cl)c3[C@H]2C)C1 ZINC000423554168 563362169 /nfs/dbraw/zinc/36/21/69/563362169.db2.gz LFEQZXOZNKEMRY-LOWVWBTDSA-N 1 0 384.307 2.635 20 0 GFADRO COCCOc1c(Cl)cc(NC(=O)[C@@]2(COC)CC[NH2+]C2)cc1Cl ZINC000423836880 563363413 /nfs/dbraw/zinc/36/34/13/563363413.db2.gz ABMDYTSHJMKTDQ-INIZCTEOSA-N 1 0 377.268 2.583 20 0 GFADRO Cc1sc(Br)nc1C(=O)N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC000298701685 563364130 /nfs/dbraw/zinc/36/41/30/563364130.db2.gz ACCURTNLLOMPPG-JTQLQIEISA-N 1 0 388.331 2.539 20 0 GFADRO C[C@@H]([NH2+]CCCc1ccccn1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000281040489 563364290 /nfs/dbraw/zinc/36/42/90/563364290.db2.gz GVVDALRIUGDNDI-GFCCVEGCSA-N 1 0 398.326 2.775 20 0 GFADRO O=C(COc1ccc(F)cc1Br)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000423938043 563364322 /nfs/dbraw/zinc/36/43/22/563364322.db2.gz HFNAHDMGUSEEJX-SWLSCSKDSA-N 1 0 385.277 2.958 20 0 GFADRO CN(Cc1ccc(F)cc1Br)C(=O)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000423918106 563364342 /nfs/dbraw/zinc/36/43/42/563364342.db2.gz QXSNZRHWDFFTOS-OAHLLOKOSA-N 1 0 395.276 2.981 20 0 GFADRO Cc1cc([C@H]2CCCN2C(=O)c2cn(CCC[NH3+])nn2)ccc1Br ZINC000423850598 563364357 /nfs/dbraw/zinc/36/43/57/563364357.db2.gz QKOGVZNECRYRMC-MRXNPFEDSA-N 1 0 392.301 2.675 20 0 GFADRO O=C(c1cccc(I)c1)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000423935674 563364378 /nfs/dbraw/zinc/36/43/78/563364378.db2.gz APLOWDUCWCGOPM-HIFRSBDPSA-N 1 0 384.261 2.895 20 0 GFADRO CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)c1ncc(Br)cn1 ZINC000374199698 563364735 /nfs/dbraw/zinc/36/47/35/563364735.db2.gz KTTRYIQDTGBTHH-UHFFFAOYSA-N 1 0 396.377 2.872 20 0 GFADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2cc(S(C)(=O)=O)ccc2Cl)C1 ZINC000298749814 563365220 /nfs/dbraw/zinc/36/52/20/563365220.db2.gz ODNHNFYXOBNJJW-OKILXGFUSA-N 1 0 386.945 2.841 20 0 GFADRO [NH3+]C[C@@H](NC(=O)CNC(=O)c1sc2ccccc2c1Cl)C1CCCC1 ZINC000423958761 563365890 /nfs/dbraw/zinc/36/58/90/563365890.db2.gz MMUDZDMDZYGRMP-CYBMUJFWSA-N 1 0 379.913 2.918 20 0 GFADRO C[C@@H]1CN(C(=O)c2cnn(-c3ccc(Br)cc3)c2)C[C@@]1(C)C[NH3+] ZINC000423987980 563366119 /nfs/dbraw/zinc/36/61/19/563366119.db2.gz XHUMVQRLCWMPNQ-SJKOYZFVSA-N 1 0 377.286 2.692 20 0 GFADRO COc1ccc(Br)c(CC(=O)N2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000423978850 563366532 /nfs/dbraw/zinc/36/65/32/563366532.db2.gz QXGIGDXDHILSGG-DYVFJYSZSA-N 1 0 381.314 2.991 20 0 GFADRO C[C@H]1CCN(C(=O)c2ncc(Br)cc2Br)C[C@H]1C[NH3+] ZINC000423995227 563366643 /nfs/dbraw/zinc/36/66/43/563366643.db2.gz JESMBTARXGECNF-DTWKUNHWSA-N 1 0 391.107 2.664 20 0 GFADRO COc1ccc(Br)cc1CC(=O)N1C[C@@H]([NH3+])Cc2ccccc21 ZINC000424072450 563369532 /nfs/dbraw/zinc/36/95/32/563369532.db2.gz GKVUIPJYMSXKSF-HNNXBMFYSA-N 1 0 375.266 2.917 20 0 GFADRO Nc1c(Cl)cc(NC(=O)C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)cc1Cl ZINC000298879773 563369689 /nfs/dbraw/zinc/36/96/89/563369689.db2.gz KBYSDGQOPFERHB-LBPRGKRZSA-N 1 0 385.295 2.647 20 0 GFADRO C[C@H]([NH2+][C@H]1CCOC(C)(C)C1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000281288572 563371984 /nfs/dbraw/zinc/37/19/84/563371984.db2.gz ZWEWHJHDGKFHKM-JQWIXIFHSA-N 1 0 391.331 2.705 20 0 GFADRO CS(=O)(=O)CCCC[NH2+]Cc1cc(Br)c2c(c1)OCCCO2 ZINC000424171218 563372308 /nfs/dbraw/zinc/37/23/08/563372308.db2.gz LNSVVZSFTPZTLR-UHFFFAOYSA-N 1 0 392.315 2.525 20 0 GFADRO COCCN1CC[C@@H]([NH2+]Cc2cc(Cl)cc(I)c2)C1 ZINC000424163947 563372503 /nfs/dbraw/zinc/37/25/03/563372503.db2.gz BECFGMUBXQSMDE-CQSZACIVSA-N 1 0 394.684 2.755 20 0 GFADRO O=C(N1CC[C@H]([NH+]2CCCCC2)C1)C1(c2cncc(Br)c2)CC1 ZINC000281296670 563372736 /nfs/dbraw/zinc/37/27/36/563372736.db2.gz PMGBQNJNSBYRCL-INIZCTEOSA-N 1 0 378.314 2.963 20 0 GFADRO O=C1OCC[C@@H]1CC[NH+]1CCN(Cc2cc(Br)ccc2F)CC1 ZINC000281334580 563373930 /nfs/dbraw/zinc/37/39/30/563373930.db2.gz JQHYVMLSRXWPKU-ZDUSSCGKSA-N 1 0 385.277 2.659 20 0 GFADRO C[NH+]1CCC2(CCCN(S(=O)(=O)c3c(F)c(F)cc(F)c3F)C2)CC1 ZINC000374501317 563374527 /nfs/dbraw/zinc/37/45/27/563374527.db2.gz CUINZQNBMSPJDJ-UHFFFAOYSA-N 1 0 380.407 2.740 20 0 GFADRO C[C@H]1CC2(CN1C(=O)[C@H]1COc3ccc(Br)cc31)CC[NH2+]CC2 ZINC000424232264 563374680 /nfs/dbraw/zinc/37/46/80/563374680.db2.gz HCYKZWKDRITTCD-WFASDCNBSA-N 1 0 379.298 2.916 20 0 GFADRO [NH3+]CC[C@@H](NS(=O)(=O)c1ccc2ccccc2c1Br)C(F)F ZINC000424365467 563376466 /nfs/dbraw/zinc/37/64/66/563376466.db2.gz VRYBSWMXVZFZSL-LLVKDONJSA-N 1 0 393.253 2.863 20 0 GFADRO O=C(Nc1ccc(Br)cn1)[C@H]1CCCN(CC[NH+]2CCCCC2)C1 ZINC000299153654 563376687 /nfs/dbraw/zinc/37/66/87/563376687.db2.gz ZDBXDQRUTJHVJK-HNNXBMFYSA-N 1 0 395.345 2.981 20 0 GFADRO C[C@H]1CC2(CN1S(=O)(=O)c1cc(F)ccc1Br)CC[NH2+]CC2 ZINC000424389586 563377903 /nfs/dbraw/zinc/37/79/03/563377903.db2.gz IFTZUQNSCFJVAW-NSHDSACASA-N 1 0 391.306 2.741 20 0 GFADRO C[C@@H]1CC2(CN1S(=O)(=O)c1ccc(Br)cc1F)CC[NH2+]CC2 ZINC000424392310 563377946 /nfs/dbraw/zinc/37/79/46/563377946.db2.gz PAVYKJMGKKLTFY-LLVKDONJSA-N 1 0 391.306 2.741 20 0 GFADRO C[C@@H]1CC2(CN1S(=O)(=O)Cc1cccc(Br)c1)CC[NH2+]CC2 ZINC000424392362 563378271 /nfs/dbraw/zinc/37/82/71/563378271.db2.gz PITQGCWYTKKGHI-CYBMUJFWSA-N 1 0 387.343 2.743 20 0 GFADRO CO[C@H](C)c1noc(CN2CCC(Cn3cc(Br)cn3)CC2)n1 ZINC000374649104 563378623 /nfs/dbraw/zinc/37/86/23/563378623.db2.gz SCBWIOCOLFWGDG-LLVKDONJSA-N 1 0 384.278 2.648 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000424455944 563379505 /nfs/dbraw/zinc/37/95/05/563379505.db2.gz VCHLSZAJTGOVTC-UKRRQHHQSA-N 1 0 397.317 2.655 20 0 GFADRO Cc1nc2ccc(Br)cn2c1C(=O)N(C)CCC[NH+]1CCCC1 ZINC000281737331 563385725 /nfs/dbraw/zinc/38/57/25/563385725.db2.gz OKNLCFCRJCWYDN-UHFFFAOYSA-N 1 0 379.302 2.963 20 0 GFADRO CS(=O)(=O)N1CC[C@H](C[N@@H+]2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)C1 ZINC000374913763 563386018 /nfs/dbraw/zinc/38/60/18/563386018.db2.gz OMEMZAAFUCUAPE-VXGBXAGGSA-N 1 0 397.488 2.623 20 0 GFADRO COc1ncc(C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)cc1Br ZINC000424691645 563386902 /nfs/dbraw/zinc/38/69/02/563386902.db2.gz NFIZPPNOMVJSBN-CQSZACIVSA-N 1 0 382.302 2.847 20 0 GFADRO COc1ncc(C(=O)N2CCC[N@@H+](C3CCCC3)CC2)cc1Br ZINC000424689621 563387295 /nfs/dbraw/zinc/38/72/95/563387295.db2.gz TVHGLHAFLDVEFF-UHFFFAOYSA-N 1 0 382.302 2.943 20 0 GFADRO C[N@@H+]1CC[C@@H]2CCN([C@@H]3CC(=O)N(c4cccc(Cl)c4Cl)C3=O)C[C@@H]21 ZINC000375052528 563388792 /nfs/dbraw/zinc/38/87/92/563388792.db2.gz CMPXCTQQFAFCEO-DFBGVHRSSA-N 1 0 382.291 2.651 20 0 GFADRO COc1c(Br)ccc(C)c1C(=O)N1C[C@@H]([NH+](C)C)[C@@H](SC)C1 ZINC000424749981 563389919 /nfs/dbraw/zinc/38/99/19/563389919.db2.gz KIFFFLGZMYSOSJ-OLZOCXBDSA-N 1 0 387.343 2.884 20 0 GFADRO Cc1oc(Br)cc1C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000424748133 563390113 /nfs/dbraw/zinc/39/01/13/563390113.db2.gz HMCWIFIVMMIGKN-YIONKMFJSA-N 1 0 396.329 2.734 20 0 GFADRO CC[NH+](CC)CCOCCNC(=O)Cc1noc2ccc(Br)cc12 ZINC000424771692 563391258 /nfs/dbraw/zinc/39/12/58/563391258.db2.gz CPCDLCUSRCHRAG-UHFFFAOYSA-N 1 0 398.301 2.607 20 0 GFADRO CC[C@@H]1C[N@H+](C)CCCN1S(=O)(=O)c1cc(Br)sc1C ZINC000300533820 563391475 /nfs/dbraw/zinc/39/14/75/563391475.db2.gz FUOBDLROFLZDIE-LLVKDONJSA-N 1 0 381.361 2.924 20 0 GFADRO CC[C@@H]1C[N@H+](C)CCCN1S(=O)(=O)c1ccc(Br)c(C)c1 ZINC000300541205 563391565 /nfs/dbraw/zinc/39/15/65/563391565.db2.gz QPQCVUALBGUIEV-CYBMUJFWSA-N 1 0 375.332 2.862 20 0 GFADRO CCc1ccc([C@@H](CNc2cnn(C)c(=O)c2Br)[NH+](C)C)cc1 ZINC000301236553 563397268 /nfs/dbraw/zinc/39/72/68/563397268.db2.gz LYPYFVFBHQYYLI-OAHLLOKOSA-N 1 0 379.302 2.820 20 0 GFADRO CC[C@H](C(=O)N1C[C@H](C(=O)OC)[C@@H](c2ccc(Br)cc2)C1)[NH+](C)C ZINC000425005351 563400707 /nfs/dbraw/zinc/40/07/07/563400707.db2.gz ARDVKGXREOBURA-OWCLPIDISA-N 1 0 397.313 2.504 20 0 GFADRO O=C(NCC1CC[NH+](C2CC2)CC1)C1(c2cncc(Br)c2)CC1 ZINC000282181052 563400935 /nfs/dbraw/zinc/40/09/35/563400935.db2.gz DGIDKDKJOAEMIF-UHFFFAOYSA-N 1 0 378.314 2.866 20 0 GFADRO C[C@@H](NC(=O)NCCN1CC[N@H+](C)C(C)(C)C1)c1ccc(Br)cc1 ZINC000282210506 563402556 /nfs/dbraw/zinc/40/25/56/563402556.db2.gz DHZMGXCAHODVTE-CQSZACIVSA-N 1 0 397.361 2.835 20 0 GFADRO CN(CC[NH+](C)C)c1ccc(Br)cc1NC(=O)c1cccc(=O)[nH]1 ZINC000425095781 563403811 /nfs/dbraw/zinc/40/38/11/563403811.db2.gz CDQYJZBXMXHACQ-UHFFFAOYSA-N 1 0 393.285 2.800 20 0 GFADRO Cc1cnn(CC(=O)Nc2cc(Br)ccc2N(C)CC[NH+](C)C)c1 ZINC000425100375 563404359 /nfs/dbraw/zinc/40/43/59/563404359.db2.gz UGGUXQHDPBZDOF-UHFFFAOYSA-N 1 0 394.317 2.591 20 0 GFADRO CN(CC[NH+](C)C)c1ccc(Br)cc1NC(=O)C[C@@](C)(O)C1CC1 ZINC000425099748 563404386 /nfs/dbraw/zinc/40/43/86/563404386.db2.gz RBHYPOCYQSXXJK-GOSISDBHSA-N 1 0 398.345 2.937 20 0 GFADRO CS(=O)(=O)c1ccc(-c2nc(C[NH2+][C@H]3CCO[C@H]3C3CC3)cs2)cc1 ZINC000375425388 563405073 /nfs/dbraw/zinc/40/50/73/563405073.db2.gz GMVQVSSIZMDPGX-IRXDYDNUSA-N 1 0 378.519 2.871 20 0 GFADRO Brc1cccc(-c2noc([C@@H]3CCCN3CCn3cncn3)n2)c1 ZINC000375466901 563406507 /nfs/dbraw/zinc/40/65/07/563406507.db2.gz GXPBKIIAXFASAS-AWEZNQCLSA-N 1 0 389.257 2.928 20 0 GFADRO C[C@@H](CO)[N@@H+]1CCCN(Cc2ncc(-c3ccc(Br)cc3)o2)CC1 ZINC000375485888 563406982 /nfs/dbraw/zinc/40/69/82/563406982.db2.gz RKTHPJYYRQENRG-AWEZNQCLSA-N 1 0 394.313 2.993 20 0 GFADRO C[C@@H](CC(=O)N1CCC[N@@H+]([C@@H](C)CO)CC1)c1ccc(Br)cc1 ZINC000375495503 563407524 /nfs/dbraw/zinc/40/75/24/563407524.db2.gz NQXYANFGLNXCPL-GJZGRUSLSA-N 1 0 383.330 2.858 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCC(=O)N[C@H]1c1cncn1C)c1cc(Br)ccc1F ZINC000375518415 563408280 /nfs/dbraw/zinc/40/82/80/563408280.db2.gz HHPLJZDIWQKPLE-NCAQKEMTSA-N 1 0 395.276 2.992 20 0 GFADRO Cc1cc[nH+]c(NC[C@H](O)COc2ccc(I)cc2)c1 ZINC000301670025 563409709 /nfs/dbraw/zinc/40/97/09/563409709.db2.gz YNAYHOCHJGWFMJ-ZDUSSCGKSA-N 1 0 384.217 2.846 20 0 GFADRO O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1cc(Br)cnc1OCC1CC1 ZINC000375607117 563411674 /nfs/dbraw/zinc/41/16/74/563411674.db2.gz RIGYUQCBVAZUQG-GJZGRUSLSA-N 1 0 394.313 2.990 20 0 GFADRO CCN(CCC[NH+]1CCCC1)c1ccc(S(N)(=O)=O)c(C(F)(F)F)c1 ZINC000425260048 563415291 /nfs/dbraw/zinc/41/52/91/563415291.db2.gz WHHVPNALUSDBBB-UHFFFAOYSA-N 1 0 379.448 2.665 20 0 GFADRO COc1ccc(Br)cc1NC(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000282553069 563415303 /nfs/dbraw/zinc/41/53/03/563415303.db2.gz BQKFQBPAAGFRHY-UHFFFAOYSA-N 1 0 399.333 2.605 20 0 GFADRO O=S1(=O)CC[C@@H](C[N@H+]2CCCN(c3ccc(Cl)c(Cl)c3)CC2)C1 ZINC000375753723 563417180 /nfs/dbraw/zinc/41/71/80/563417180.db2.gz AHQFHODFLGWNKG-ZDUSSCGKSA-N 1 0 377.337 2.940 20 0 GFADRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(Cc2ccc(S(=O)(=O)N(C)C)s2)C1 ZINC000425417813 563421238 /nfs/dbraw/zinc/42/12/38/563421238.db2.gz NFDZBVYGTPYVDN-BZUAXINKSA-N 1 0 385.599 2.836 20 0 GFADRO C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@@H]1CCC(=O)NC12CCC2 ZINC000282755880 563423406 /nfs/dbraw/zinc/42/34/06/563423406.db2.gz BEBLPZDXWYKNIR-SWLSCSKDSA-N 1 0 394.313 2.957 20 0 GFADRO C[NH+](C)CCN1CCC(Nc2ccnc3cc(Br)cnc32)CC1 ZINC000302228542 563423729 /nfs/dbraw/zinc/42/37/29/563423729.db2.gz AEVQKMOISPZXPR-UHFFFAOYSA-N 1 0 378.318 2.830 20 0 GFADRO O=S(=O)(CC[NH2+]Cc1cnc2ccc(Cl)cn12)CCc1ccccc1 ZINC000282819239 563425829 /nfs/dbraw/zinc/42/58/29/563425829.db2.gz YKPZJUIGUQERAG-UHFFFAOYSA-N 1 0 377.897 2.735 20 0 GFADRO COc1cc(Br)ccc1CCC[NH+]1CCC2(CNC(=O)N2C)CC1 ZINC000425542799 563427253 /nfs/dbraw/zinc/42/72/53/563427253.db2.gz OZKXBXKQMOWUSX-UHFFFAOYSA-N 1 0 396.329 2.880 20 0 GFADRO Brc1cnc(NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)nc1 ZINC000302783843 563429818 /nfs/dbraw/zinc/42/98/18/563429818.db2.gz LLGJKWXYFDQGAJ-INIZCTEOSA-N 1 0 377.286 2.942 20 0 GFADRO CC(C)C[NH+]1CCN(C(=O)NCCOc2ccc(Br)cc2)CC1 ZINC000303005541 563432149 /nfs/dbraw/zinc/43/21/49/563432149.db2.gz PERGMQXZSBHBAG-UHFFFAOYSA-N 1 0 384.318 2.811 20 0 GFADRO CS(=O)(=O)c1cccc(Br)c1N1CCC[C@@H](N2CCCC2)C1 ZINC000376159146 563432254 /nfs/dbraw/zinc/43/22/54/563432254.db2.gz UCTIUTRRNBBMCY-CYBMUJFWSA-N 1 0 387.343 2.917 20 0 GFADRO Cc1sc(=O)n(CCC(=O)N[C@@H](C[NH+](C)C)c2ccc(Cl)cc2)c1C ZINC000283040109 563433506 /nfs/dbraw/zinc/43/35/06/563433506.db2.gz VBQYXNWZDTZYBM-INIZCTEOSA-N 1 0 381.929 2.989 20 0 GFADRO CN(C1CC[NH+](C)CC1)S(=O)(=O)c1c(Cl)cccc1Br ZINC000283029859 563433864 /nfs/dbraw/zinc/43/38/64/563433864.db2.gz QELHRAOSUGSLIA-UHFFFAOYSA-N 1 0 381.723 2.817 20 0 GFADRO Ic1cnc(N[C@H]2CC[N@H+](Cc3ccccc3)C2)nc1 ZINC000307662800 563433984 /nfs/dbraw/zinc/43/39/84/563433984.db2.gz YQRGRUPHHDWAFP-AWEZNQCLSA-N 1 0 380.233 2.768 20 0 GFADRO CN(C(=O)c1csc(I)c1)[C@H]1C[NH+]2CCC1CC2 ZINC000310896884 563435148 /nfs/dbraw/zinc/43/51/48/563435148.db2.gz ZYUWQFFBAUQHDH-NSHDSACASA-N 1 0 376.263 2.519 20 0 GFADRO CC(C)[N@H+](C)C[C@@H](C)NC(=O)C(=O)Nc1cc(Cl)ccc1OC(F)F ZINC000425792295 563438063 /nfs/dbraw/zinc/43/80/63/563438063.db2.gz ZRQKREDXMSWYJE-SNVBAGLBSA-N 1 0 377.819 2.725 20 0 GFADRO CCN1CC[C@H](NS(=O)(=O)CCCCF)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000376344576 563438775 /nfs/dbraw/zinc/43/87/75/563438775.db2.gz SFBQMADKVFKRQH-HOCLYGCPSA-N 1 0 382.423 2.908 20 0 GFADRO CC[N@H+](CCO)CCNC(=O)N[C@H]1c2cccc(Br)c2CC1(C)C ZINC000426082875 563443561 /nfs/dbraw/zinc/44/35/61/563443561.db2.gz BZSGUTIGYNAYKJ-INIZCTEOSA-N 1 0 398.345 2.686 20 0 GFADRO Cc1cc(NC(=O)C(=O)N[C@@H]2CCC[N@H+](C)[C@H]2C)cc(C)c1Br ZINC000426175841 563445500 /nfs/dbraw/zinc/44/55/00/563445500.db2.gz JQXCZNOPZPTAKF-GXTWGEPZSA-N 1 0 382.302 2.603 20 0 GFADRO Cc1cc(NC(=O)C(=O)N[C@H]2CCC[N@H+](C)[C@H]2C)cc(C)c1Br ZINC000426175842 563445843 /nfs/dbraw/zinc/44/58/43/563445843.db2.gz JQXCZNOPZPTAKF-JSGCOSHPSA-N 1 0 382.302 2.603 20 0 GFADRO O=C(c1cc(Br)cc2nc[nH]c21)N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000376570587 563446845 /nfs/dbraw/zinc/44/68/45/563446845.db2.gz LAJWCOSHDJOXTM-SGIREYDYSA-N 1 0 389.297 2.882 20 0 GFADRO CC(C)(C)[C@H](O)C[NH+]1CCC(C(=O)Nc2ccc(Br)cn2)CC1 ZINC000283616963 563449183 /nfs/dbraw/zinc/44/91/83/563449183.db2.gz AIROEELDBXIJKV-CQSZACIVSA-N 1 0 384.318 2.902 20 0 GFADRO COc1cc(C[NH2+][C@H]2CCCc3c2cnn3CCO)cc(Br)c1O ZINC000324233514 563452053 /nfs/dbraw/zinc/45/20/53/563452053.db2.gz SMUUFJPXBIWUHW-AWEZNQCLSA-N 1 0 396.285 2.519 20 0 GFADRO COC(=O)CN1CCC([NH2+][C@@H]2CSc3ccc(Br)cc32)CC1 ZINC000426555962 563452912 /nfs/dbraw/zinc/45/29/12/563452912.db2.gz BFQJKMKLMICMBB-CQSZACIVSA-N 1 0 385.327 2.823 20 0 GFADRO C[NH+](C)CCOC1CCN(C(=O)c2c[nH]nc2-c2ccc(Cl)s2)CC1 ZINC000426823384 563455746 /nfs/dbraw/zinc/45/57/46/563455746.db2.gz ISKYGGXNYYBHPM-UHFFFAOYSA-N 1 0 382.917 2.974 20 0 GFADRO CSCCC[N@@H+]1CCCN(S(=O)(=O)c2cccc3cnccc32)CC1 ZINC000283859199 563457073 /nfs/dbraw/zinc/45/70/73/563457073.db2.gz DCUDKDMNQJFOGT-UHFFFAOYSA-N 1 0 379.551 2.684 20 0 GFADRO O=S(=O)(c1cccc(OC(F)(F)F)c1)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000327774733 563459272 /nfs/dbraw/zinc/45/92/72/563459272.db2.gz WVNHOBHLEDLIQZ-LSDHHAIUSA-N 1 0 378.416 2.880 20 0 GFADRO O=C(NCCC[NH+]1CCCC1)[C@@H]1CCCN(c2ccc(Br)cn2)C1 ZINC000377304545 563469977 /nfs/dbraw/zinc/46/99/77/563469977.db2.gz AVOKGMBEGVMJKQ-OAHLLOKOSA-N 1 0 395.345 2.663 20 0 GFADRO C[C@@H]1Cc2cc(S(=O)(=O)N3CCC[C@H]4C[N@H+](C)CC[C@H]43)cc(Cl)c2O1 ZINC000427797417 563475176 /nfs/dbraw/zinc/47/51/76/563475176.db2.gz KXTFTJFOURXJHY-IIYDPXPESA-N 1 0 384.929 2.768 20 0 GFADRO C[NH+](C)CCN1CCCN(C(=O)[C@H]2C[C@H]2c2cccc(Br)c2)CC1 ZINC000377538081 563478220 /nfs/dbraw/zinc/47/82/20/563478220.db2.gz RWLANVANVDSMTH-ROUUACIJSA-N 1 0 394.357 2.649 20 0 GFADRO O=S(=O)(c1csc(-c2ccc(Cl)cc2)n1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000329348392 563478931 /nfs/dbraw/zinc/47/89/31/563478931.db2.gz DMPYYPHLGGSFHJ-AWEZNQCLSA-N 1 0 383.926 2.932 20 0 GFADRO O=S(=O)(c1cc(Cl)ccc1OCC1CCC1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000427960381 563478972 /nfs/dbraw/zinc/47/89/72/563478972.db2.gz UNTBFUIMODTFOU-HOCLYGCPSA-N 1 0 384.929 2.891 20 0 GFADRO C[C@@H](CCCC[NH3+])NS(=O)(=O)c1cc(Br)sc1Cl ZINC000427944768 563479150 /nfs/dbraw/zinc/47/91/50/563479150.db2.gz BQHPYQCOGBABDU-ZETCQYMHSA-N 1 0 375.741 2.960 20 0 GFADRO Cc1c2cc(Br)cc(C)c2oc1C(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000428006134 563480747 /nfs/dbraw/zinc/48/07/47/563480747.db2.gz NAFREQMKVJONTJ-QGZVFWFLSA-N 1 0 381.270 2.609 20 0 GFADRO CN(C)c1cc[nH+]cc1C(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000428064125 563481884 /nfs/dbraw/zinc/48/18/84/563481884.db2.gz WPNYISZPDQDDRK-CQSZACIVSA-N 1 0 389.297 2.919 20 0 GFADRO COc1ccc(CN2CCC[C@H](C[NH+]3CCN(C)CC3)C2)c(Br)c1 ZINC000377632699 563481968 /nfs/dbraw/zinc/48/19/68/563481968.db2.gz WBLYFEJOKDPQEF-MRXNPFEDSA-N 1 0 396.373 2.917 20 0 GFADRO COc1cc(C[NH2+][C@H]2CCCN(c3ccncn3)C2)c(Br)cc1O ZINC000377651368 563482528 /nfs/dbraw/zinc/48/25/28/563482528.db2.gz SXDGFRLDASVTLE-ZDUSSCGKSA-N 1 0 393.285 2.712 20 0 GFADRO O=C1NC[C@@H]2C[N@H+](Cc3ncc(-c4cccc(Br)c4)o3)CC[C@@H]12 ZINC000377663886 563482678 /nfs/dbraw/zinc/48/26/78/563482678.db2.gz CWZOLRCMOWTGHS-TZMCWYRMSA-N 1 0 376.254 2.672 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@@H](Nc2c(F)cc(S(N)(=O)=O)cc2Br)C1 ZINC000428175586 563484644 /nfs/dbraw/zinc/48/46/44/563484644.db2.gz JCUJPAAWSHBPBD-NXEZZACHSA-N 1 0 394.310 2.520 20 0 GFADRO Cc1[nH]c(=O)c(Br)cc1-c1nc([C@H]2CN3CCC[C@]3(C)CO2)no1 ZINC000329654009 563484904 /nfs/dbraw/zinc/48/49/04/563484904.db2.gz FCXULOYCVBAEEK-MLGOLLRUSA-N 1 0 395.257 2.834 20 0 GFADRO CN(C)c1ncc(C[NH2+]C[C@H](CO)Cc2cccc(Br)c2)s1 ZINC000428537130 563494662 /nfs/dbraw/zinc/49/46/62/563494662.db2.gz MWZKZBRMCRYAQW-CYBMUJFWSA-N 1 0 384.343 2.912 20 0 GFADRO O=S(=O)(c1ccc(F)cc1Br)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000378057875 563495020 /nfs/dbraw/zinc/49/50/20/563495020.db2.gz NGZBOYGUVBKKOZ-GFCCVEGCSA-N 1 0 391.306 2.598 20 0 GFADRO COCc1cnc(C[NH2+]C[C@H](CO)Cc2ccccc2Br)s1 ZINC000428546713 563495187 /nfs/dbraw/zinc/49/51/87/563495187.db2.gz NUXJRXOUEZKNPY-GFCCVEGCSA-N 1 0 385.327 2.993 20 0 GFADRO O=S1(=O)CCC(O)(C[NH2+][C@H]2CCCOc3c(Cl)c(Cl)ccc32)CC1 ZINC000378181983 563498553 /nfs/dbraw/zinc/49/85/53/563498553.db2.gz GUSQHQMUNTXWRJ-ZDUSSCGKSA-N 1 0 394.320 2.736 20 0 GFADRO C[C@H](NC(=O)C[N@@H+]1CC[C@@H]([C@@H]2CCOC2)C1)c1ccc(Br)cc1 ZINC000378235928 563499636 /nfs/dbraw/zinc/49/96/36/563499636.db2.gz XTLVSBGIMLIFNM-NUEKZKHPSA-N 1 0 381.314 2.985 20 0 GFADRO CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+]CCOc2cccc(Br)c2)C1 ZINC000285084224 563502205 /nfs/dbraw/zinc/50/22/05/563502205.db2.gz JQSVLYBSXMRNBR-DZGCQCFKSA-N 1 0 376.316 2.773 20 0 GFADRO O=C1[C@H]([NH2+][C@@H](CO)c2ccc(Br)cc2)CCN1c1ccccc1 ZINC000428800604 563502238 /nfs/dbraw/zinc/50/22/38/563502238.db2.gz YAFHMDJGZVRTII-SJORKVTESA-N 1 0 375.266 2.878 20 0 GFADRO C[C@H]1CN(C(=O)c2cc(F)ccc2Br)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000378321178 563502750 /nfs/dbraw/zinc/50/27/50/563502750.db2.gz WVNXZYHHPXJDHL-GUYCJALGSA-N 1 0 398.320 2.686 20 0 GFADRO C[C@@H]1CN(C(=O)c2ccc(Br)cc2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000378320641 563503010 /nfs/dbraw/zinc/50/30/10/563503010.db2.gz VMBHKKYYRZNLDV-RHSMWYFYSA-N 1 0 380.330 2.547 20 0 GFADRO Cc1cc(C[NH+]2CCC([C@@]3(C)NC(=O)NC3=O)CC2)ccc1Br ZINC000378341539 563503952 /nfs/dbraw/zinc/50/39/52/563503952.db2.gz LDWAPOOPLOJDNI-QGZVFWFLSA-N 1 0 380.286 2.568 20 0 GFADRO C[C@@H]1CN(C(=O)c2csc(Br)c2)CCN1C1CC[NH+](C)CC1 ZINC000378368649 563504489 /nfs/dbraw/zinc/50/44/89/563504489.db2.gz WLKZASOMOVUDHV-GFCCVEGCSA-N 1 0 386.359 2.751 20 0 GFADRO C[C@H]1CN(C(=O)Cc2cccc(Br)c2)CCN1C1CC[NH+](C)CC1 ZINC000378366614 563504653 /nfs/dbraw/zinc/50/46/53/563504653.db2.gz BUPYWWPKEORSSE-HNNXBMFYSA-N 1 0 394.357 2.619 20 0 GFADRO COc1ccc(CCC(=O)N2CC[C@@H]3CC[N@H+](C)[C@H]3C2)cc1Br ZINC000378461554 563507824 /nfs/dbraw/zinc/50/78/24/563507824.db2.gz LDUVOXNEZGHDNO-HOCLYGCPSA-N 1 0 381.314 2.943 20 0 GFADRO OC[C@@H]([NH2+]C[C@H](O)COc1ccccc1)c1ccc(Br)c(F)c1 ZINC000429016003 563507916 /nfs/dbraw/zinc/50/79/16/563507916.db2.gz AIRAOGPZAOZUEU-SUMWQHHRSA-N 1 0 384.245 2.651 20 0 GFADRO C[C@@H]1CN(C[C@H](O)C[N@@H+]2CC[C@H](Sc3cccc(Cl)c3)C2)C[C@@H](C)O1 ZINC000429113833 563509944 /nfs/dbraw/zinc/50/99/44/563509944.db2.gz FHMFYPQYOKEDRU-LFEHRJTNSA-N 1 0 384.973 2.977 20 0 GFADRO CSC[C@@H]1CCC[N@H+](CC(=O)NCC(=O)Nc2cccc(Cl)c2C)C1 ZINC000429288086 563513219 /nfs/dbraw/zinc/51/32/19/563513219.db2.gz AYVYUBADKQZZKZ-CQSZACIVSA-N 1 0 383.945 2.778 20 0 GFADRO [NH3+]C[C@H]1CC[C@H](NC(=O)c2cc(Cl)ccc2I)C1 ZINC000382444181 563516553 /nfs/dbraw/zinc/51/65/53/563516553.db2.gz RHJGTAPQPFLSLF-WPRPVWTQSA-N 1 0 378.641 2.802 20 0 GFADRO Cc1[nH]c(=O)c(Br)cc1C(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000285416954 563519616 /nfs/dbraw/zinc/51/96/16/563519616.db2.gz JLQWWMJDTNQKOB-ZDUSSCGKSA-N 1 0 382.302 2.949 20 0 GFADRO O=C(c1cc(I)ccc1Cl)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000429652879 563520445 /nfs/dbraw/zinc/52/04/45/563520445.db2.gz LYQYVPLJDYGGNQ-MNOVXSKESA-N 1 0 390.652 2.911 20 0 GFADRO CC[NH+](CC)[C@@H]1CCN(C(=O)C(C)(C)S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000330768641 563520763 /nfs/dbraw/zinc/52/07/63/563520763.db2.gz SRDPEUJNPJOWRJ-OAHLLOKOSA-N 1 0 386.945 2.835 20 0 GFADRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)c1cc(Br)ccc1Br ZINC000389793630 563522256 /nfs/dbraw/zinc/52/22/56/563522256.db2.gz RVMRRYJJNYIXSV-UFBFGSQYSA-N 1 0 376.092 2.939 20 0 GFADRO CNC(=O)[C@H]1CCC[C@H]1[NH2+]CC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000429774990 563522793 /nfs/dbraw/zinc/52/27/93/563522793.db2.gz OQQMQGZVWISJGP-CMPLNLGQSA-N 1 0 377.794 2.802 20 0 GFADRO C[C@H](CNS(=O)(=O)c1cncc(Br)c1)[N@H+](C)Cc1ccccc1 ZINC000390810008 563523574 /nfs/dbraw/zinc/52/35/74/563523574.db2.gz RONUEXCTKRVUSP-CYBMUJFWSA-N 1 0 398.326 2.643 20 0 GFADRO O=S(=O)(NCCC1CC[NH2+]CC1)c1ccc(Br)cc1Cl ZINC000390823948 563523582 /nfs/dbraw/zinc/52/35/82/563523582.db2.gz HIMKAKSNPAJSSY-UHFFFAOYSA-N 1 0 381.723 2.771 20 0 GFADRO Cn1ccc(CCC(=O)N(CC[NH+](C)C)Cc2ccc(Br)cc2)n1 ZINC000429820870 563523911 /nfs/dbraw/zinc/52/39/11/563523911.db2.gz CDOGVRZPIUWCCO-UHFFFAOYSA-N 1 0 393.329 2.706 20 0 GFADRO [NH3+][C@@H](CC1CCCCC1)C(=O)N1CCN(c2ccc(Br)cn2)CC1 ZINC000392172723 563526501 /nfs/dbraw/zinc/52/65/01/563526501.db2.gz PINSXEZOALMEFV-INIZCTEOSA-N 1 0 395.345 2.790 20 0 GFADRO CC(=O)c1cc(Br)ccc1OCC(=O)N(C)[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000285621926 563529208 /nfs/dbraw/zinc/52/92/08/563529208.db2.gz KHTHYEPMYGDPQL-LRDDRELGSA-N 1 0 397.313 2.829 20 0 GFADRO C[NH+](C)CC1(NS(=O)(=O)c2c(Cl)cccc2Br)CCC1 ZINC000393585174 563529731 /nfs/dbraw/zinc/52/97/31/563529731.db2.gz QVJRNKFVWVQGAX-UHFFFAOYSA-N 1 0 381.723 2.865 20 0 GFADRO Cc1cc(Br)ccc1C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000395161367 563530559 /nfs/dbraw/zinc/53/05/59/563530559.db2.gz UGXXHCXKQISJBT-YJBOKZPZSA-N 1 0 394.357 2.838 20 0 GFADRO CN1CCN(C(=O)c2c[nH]c(=O)c(Br)c2)C[C@H]1Cc1ccccc1 ZINC000285698267 563532239 /nfs/dbraw/zinc/53/22/39/563532239.db2.gz BOEICMYVMUWIKF-OAHLLOKOSA-N 1 0 390.281 2.549 20 0 GFADRO CC(=O)c1cc(Br)ccc1OCC(=O)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000285714257 563533106 /nfs/dbraw/zinc/53/31/06/563533106.db2.gz PSIAFFUZYFYPCL-BDJLRTHQSA-N 1 0 395.297 2.629 20 0 GFADRO C[C@@H]1C[C@@H]1[N@@H+]1CCN(Cc2ncc(I)s2)C[C@@H](C)C1 ZINC000430130141 563534651 /nfs/dbraw/zinc/53/46/51/563534651.db2.gz JMVMTMWXBWEUQF-UTUOFQBUSA-N 1 0 391.322 2.910 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@H](NS(=O)(=O)c2ccc(OCC(F)(F)F)cc2)C1 ZINC000331100898 563534996 /nfs/dbraw/zinc/53/49/96/563534996.db2.gz FTZFFGKEQMDTIB-QWHCGFSZSA-N 1 0 380.432 2.779 20 0 GFADRO Brc1ccccc1-c1nnc(Cn2cc([C@H]3CCC[NH2+]C3)nn2)o1 ZINC000404704202 563537175 /nfs/dbraw/zinc/53/71/75/563537175.db2.gz YOXNDZXQPVLPPC-NSHDSACASA-N 1 0 389.257 2.606 20 0 GFADRO CC(=O)c1cc(Br)ccc1OCC(=O)N1CC[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000285804013 563537514 /nfs/dbraw/zinc/53/75/14/563537514.db2.gz MASHJTJFRLAYCA-CZUORRHYSA-N 1 0 395.297 2.583 20 0 GFADRO C[C@@H]1C[C@H](N2CCOCC2)C[N@@H+]1C[C@@H](O)COc1ccc(Cl)cc1Cl ZINC000285805925 563537552 /nfs/dbraw/zinc/53/75/52/563537552.db2.gz GCKNXSOPBAWHFL-VNQPRFMTSA-N 1 0 389.323 2.528 20 0 GFADRO Cc1sc(Br)cc1S(=O)(=O)N1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000405285332 563538692 /nfs/dbraw/zinc/53/86/92/563538692.db2.gz VPDOYEAOECHZQG-MWLCHTKSSA-N 1 0 381.361 2.957 20 0 GFADRO Cc1cc(Br)ccc1C[NH2+][C@H]1CCCC[C@H]1NS(C)(=O)=O ZINC000331208558 563540843 /nfs/dbraw/zinc/54/08/43/563540843.db2.gz ZSCZBPJLSRXKLP-LSDHHAIUSA-N 1 0 375.332 2.708 20 0 GFADRO CC1(C)CCC[NH2+][C@H]1CNS(=O)(=O)c1cc(F)ccc1Br ZINC000430375006 563542347 /nfs/dbraw/zinc/54/23/47/563542347.db2.gz CAULUDURBUGSIF-ZDUSSCGKSA-N 1 0 379.295 2.645 20 0 GFADRO COCC[C@@]1(C(=O)N[C@H](C)Cc2ccc(F)c(Br)c2)CC[NH2+]C1 ZINC000430427841 563543008 /nfs/dbraw/zinc/54/30/08/563543008.db2.gz PBNIHZOWUQQAEV-PXAZEXFGSA-N 1 0 387.293 2.652 20 0 GFADRO C[C@@H]1CCCN(Cc2csc(-c3ccc(S(C)(=O)=O)cc3)n2)[C@@H]1C[NH3+] ZINC000430591394 563545875 /nfs/dbraw/zinc/54/58/75/563545875.db2.gz AVTJVXHYABDJSS-CXAGYDPISA-N 1 0 379.551 2.773 20 0 GFADRO C[C@H](C(=O)Nc1cccc(Br)c1)N1CCC(OCCC[NH3+])CC1 ZINC000430592822 563546118 /nfs/dbraw/zinc/54/61/18/563546118.db2.gz IBUKHGCTXSQSIO-CYBMUJFWSA-N 1 0 384.318 2.606 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CCCCN1Cc1csc(-c2ccc(S(C)(=O)=O)cc2)n1 ZINC000430600879 563546906 /nfs/dbraw/zinc/54/69/06/563546906.db2.gz IQBDKOKGIUGXDZ-DYVFJYSZSA-N 1 0 379.551 2.915 20 0 GFADRO Cc1cnn(C)c1C[NH2+][C@H]1CCN(c2ccc(Br)c(C)c2)C1=O ZINC000286065013 563547081 /nfs/dbraw/zinc/54/70/81/563547081.db2.gz RQLATBGSKHEKEH-HNNXBMFYSA-N 1 0 377.286 2.695 20 0 GFADRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1cnc2ccc(Br)cc2c1O ZINC000408192870 563547357 /nfs/dbraw/zinc/54/73/57/563547357.db2.gz ANRNRLIKPDLQFS-ZBEGNZNMSA-N 1 0 392.297 2.703 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)c(Br)c1 ZINC000331376715 563548038 /nfs/dbraw/zinc/54/80/38/563548038.db2.gz DZKBNCSSWVPLTK-SFHVURJKSA-N 1 0 394.313 2.607 20 0 GFADRO C[C@H](C[C@@H]1CCCO1)[NH2+][C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430708991 563548246 /nfs/dbraw/zinc/54/82/46/563548246.db2.gz LVHPEGSRWRUVQX-MDZLAQPJSA-N 1 0 391.331 2.705 20 0 GFADRO COc1ccc([C@@H]2CC[NH2+]C[C@H]2NS(=O)(=O)c2sc(C)cc2C)cc1 ZINC000431020724 563551552 /nfs/dbraw/zinc/55/15/52/563551552.db2.gz DCVDEJLKXNFTQS-DLBZAZTESA-N 1 0 380.535 2.798 20 0 GFADRO O=S(=O)(c1cc(Br)ccc1Cl)N1CCC2(CC[NH2+]C2)CC1 ZINC000431022964 563551572 /nfs/dbraw/zinc/55/15/72/563551572.db2.gz PPYGWOPRJHYNCI-UHFFFAOYSA-N 1 0 393.734 2.867 20 0 GFADRO O=S(=O)(c1c(Cl)cccc1Br)N1CCC2(CC[NH2+]C2)CC1 ZINC000431033108 563552093 /nfs/dbraw/zinc/55/20/93/563552093.db2.gz GSYKQTQMTBQABY-UHFFFAOYSA-N 1 0 393.734 2.867 20 0 GFADRO COc1ccc(S(=O)(=O)N2CCC3(CC[NH2+]C3)CC2)c(Cl)c1Cl ZINC000431034085 563552306 /nfs/dbraw/zinc/55/23/06/563552306.db2.gz UALXPTFCQOOFHD-UHFFFAOYSA-N 1 0 379.309 2.766 20 0 GFADRO COc1ccc(S(=O)(=O)N[C@H]2C[N@@H+](C3CC3)C[C@H]2C)c(Cl)c1Cl ZINC000331593860 563554611 /nfs/dbraw/zinc/55/46/11/563554611.db2.gz YFFQTVYTYNLQDJ-KOLCDFICSA-N 1 0 379.309 2.763 20 0 GFADRO Cc1cc(C(=O)NC2CC[NH+](C)CC2)nn1-c1ccc(Br)cc1 ZINC000431167348 563555158 /nfs/dbraw/zinc/55/51/58/563555158.db2.gz CHVOLUPMHGPIAG-UHFFFAOYSA-N 1 0 377.286 2.767 20 0 GFADRO OC[C@@H]1C[N@H+](C[C@@H](O)COCc2ccccc2Cl)CC[C@@H]1C(F)(F)F ZINC000286299613 563555849 /nfs/dbraw/zinc/55/58/49/563555849.db2.gz CKWVJPMSUPBUPP-ZNMIVQPWSA-N 1 0 381.822 2.710 20 0 GFADRO O=C1[C@H](N2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)CCN1c1ccc(Cl)cc1 ZINC000286420499 563559343 /nfs/dbraw/zinc/55/93/43/563559343.db2.gz IIIOTAJTDOHBKQ-KCPJHIHWSA-N 1 0 376.806 2.938 20 0 GFADRO C[C@H](CC[NH+](C)C)NC(=O)C(=O)N(Cc1cccs1)Cc1cccs1 ZINC000286487271 563561932 /nfs/dbraw/zinc/56/19/32/563561932.db2.gz METFRDVNSPXGKV-CQSZACIVSA-N 1 0 379.551 2.795 20 0 GFADRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)NCCc1nc(C(F)(F)F)cs1 ZINC000286535100 563563724 /nfs/dbraw/zinc/56/37/24/563563724.db2.gz CFPHSTNCGGZROR-NWDGAFQWSA-N 1 0 376.448 2.973 20 0 GFADRO COc1cc(C[NH2+][C@H]2CCO[C@@H]2c2cnn(C)c2C)cc(Br)c1O ZINC000431705285 563566636 /nfs/dbraw/zinc/56/66/36/563566636.db2.gz PKKUJJLWCCIXRJ-WMLDXEAASA-N 1 0 396.285 2.825 20 0 GFADRO Cc1ncc(Br)cc1NC(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000331912143 563566643 /nfs/dbraw/zinc/56/66/43/563566643.db2.gz IFYVNRCOJBIAAI-CVEARBPZSA-N 1 0 397.317 2.652 20 0 GFADRO CC(=O)c1cc(Br)ccc1OCC(=O)NCCC1CC[NH+](C)CC1 ZINC000286631891 563568720 /nfs/dbraw/zinc/56/87/20/563568720.db2.gz ZJJFHGDGCKFTGW-UHFFFAOYSA-N 1 0 397.313 2.879 20 0 GFADRO CC(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)cc1Cl ZINC000331998363 563570466 /nfs/dbraw/zinc/57/04/66/563570466.db2.gz ZFIJFGAIXHBTKJ-CYBMUJFWSA-N 1 0 385.917 2.594 20 0 GFADRO C[C@@H](CNC(=O)C(C)(C)c1ccccc1Br)C[NH+]1CCN(C)CC1 ZINC000409755067 563570575 /nfs/dbraw/zinc/57/05/75/563570575.db2.gz WVDGXGKNVZWBFB-HNNXBMFYSA-N 1 0 396.373 2.726 20 0 GFADRO C[C@@H](NC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)c1ncc(Br)cn1 ZINC000431948732 563571300 /nfs/dbraw/zinc/57/13/00/563571300.db2.gz AIAHVVSDINEZOK-DGCLKSJQSA-N 1 0 386.338 2.966 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)c(Br)c1 ZINC000431969826 563572163 /nfs/dbraw/zinc/57/21/63/563572163.db2.gz ALLBDXSFIGLDRK-GJZGRUSLSA-N 1 0 394.313 2.747 20 0 GFADRO CN(C)c1cc(NC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)ncc1Br ZINC000332039637 563572534 /nfs/dbraw/zinc/57/25/34/563572534.db2.gz KHQORABMMRLRGB-OLZOCXBDSA-N 1 0 382.306 2.658 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000332069158 563574021 /nfs/dbraw/zinc/57/40/21/563574021.db2.gz UANZALAEGNFVRS-ZFWWWQNUSA-N 1 0 394.313 2.557 20 0 GFADRO C[NH+](C)C1(CNC(=O)c2cc(Br)c3c(c2)OCCO3)CCCC1 ZINC000332108770 563576952 /nfs/dbraw/zinc/57/69/52/563576952.db2.gz ILYMVBSTSTUIKP-UHFFFAOYSA-N 1 0 383.286 2.825 20 0 GFADRO CC(=O)c1cc(Br)ccc1OCC(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000286953376 563581556 /nfs/dbraw/zinc/58/15/56/563581556.db2.gz BRYNKURXPVBEJE-RISCZKNCSA-N 1 0 395.297 2.772 20 0 GFADRO O=S(=O)(c1cccnc1C(F)(F)F)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000286999265 563582906 /nfs/dbraw/zinc/58/29/06/563582906.db2.gz UBACQYRDUKDQBI-ZDUSSCGKSA-N 1 0 377.432 2.739 20 0 GFADRO C[C@H](NC(=O)NCCC[NH+]1CCC(C)CC1)c1ncc(Br)cn1 ZINC000432519269 563586111 /nfs/dbraw/zinc/58/61/11/563586111.db2.gz ZYRUVBJAMNDTKK-ZDUSSCGKSA-N 1 0 384.322 2.721 20 0 GFADRO C[C@H]([NH2+]C[C@@H]1CCCSC1)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000287086975 563586746 /nfs/dbraw/zinc/58/67/46/563586746.db2.gz PBFTVEBUZTVRJW-HOTGVXAUSA-N 1 0 384.567 2.501 20 0 GFADRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)Nc3ccc(I)cc3)C[C@H]21 ZINC000332246955 563587180 /nfs/dbraw/zinc/58/71/80/563587180.db2.gz SUIJBMILNQAPRP-ZLKJLUDKSA-N 1 0 385.249 2.882 20 0 GFADRO C[C@H]([NH2+]C[C@@H]1CCCSC1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000287096521 563587498 /nfs/dbraw/zinc/58/74/98/563587498.db2.gz PVIZPAJLCYSIJO-QWRGUYRKSA-N 1 0 393.372 2.890 20 0 GFADRO CN(C(=O)CN(Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2)c1nccs1 ZINC000432669520 563590300 /nfs/dbraw/zinc/59/03/00/563590300.db2.gz LAZVTVLWXIRSCC-HNNXBMFYSA-N 1 0 376.551 2.812 20 0 GFADRO C[NH+](C)C1(CNc2ccc(S(C)(=O)=O)cc2C(F)(F)F)CCOCC1 ZINC000287183907 563591151 /nfs/dbraw/zinc/59/11/51/563591151.db2.gz GWZDFTOIGMDMLG-UHFFFAOYSA-N 1 0 380.432 2.632 20 0 GFADRO CCC[N@H+](C)[C@@H](CNC(=O)NCC1([S@@](C)=O)CC1)c1ccc(Cl)cc1 ZINC000287249869 563593737 /nfs/dbraw/zinc/59/37/37/563593737.db2.gz QVFDAUSRWMZUAT-IVCQMTBJSA-N 1 0 385.961 2.933 20 0 GFADRO Cc1nc(C(=O)Nc2ccnc(OCC[NH+](C)C)c2)c(Br)s1 ZINC000410631609 563593957 /nfs/dbraw/zinc/59/39/57/563593957.db2.gz NOHDFMGUOSTQNB-UHFFFAOYSA-N 1 0 385.287 2.802 20 0 GFADRO CC(C)[C@@H](C(=O)Nc1cc2ccc(Br)cn2n1)[NH+]1CCCCC1 ZINC000432785364 563594042 /nfs/dbraw/zinc/59/40/42/563594042.db2.gz SUSMFNMJFDALSU-INIZCTEOSA-N 1 0 379.302 3.546 20 0 GFADRO C[C@@H]1C[N@@H+](CCC2CCN(Cc3nn(C)cc3Br)CC2)C[C@H](C)O1 ZINC000432835299 563594883 /nfs/dbraw/zinc/59/48/83/563594883.db2.gz HBISJALIQZVKPS-GASCZTMLSA-N 1 0 399.377 2.894 20 0 GFADRO CC[NH+](CC)CCN(Cc1cccs1)C(=O)C(=O)Nc1cc(C)ns1 ZINC000287298285 563595600 /nfs/dbraw/zinc/59/56/00/563595600.db2.gz BUAPNRDVWMXZGN-UHFFFAOYSA-N 1 0 380.539 2.822 20 0 GFADRO CN(C(=O)Nc1cc(F)c(F)cc1I)C1CC([NH3+])C1 ZINC000332443986 563599080 /nfs/dbraw/zinc/59/90/80/563599080.db2.gz FHQOBWPGHGDVJZ-UHFFFAOYSA-N 1 0 381.164 2.523 20 0 GFADRO CC1(C)CC(NC(=O)NCCCn2cc(Br)cn2)CC(C)(C)[NH2+]1 ZINC000287380182 563599341 /nfs/dbraw/zinc/59/93/41/563599341.db2.gz UMRLOWCMFUXQSU-UHFFFAOYSA-N 1 0 386.338 2.644 20 0 GFADRO COC[C@H]([NH2+][C@@H](C)CC(=O)Nc1cccc(Br)c1)[C@H]1CCCO1 ZINC000432998621 563599648 /nfs/dbraw/zinc/59/96/48/563599648.db2.gz QXFTYMVMSZPMFV-VBNZEHGJSA-N 1 0 385.302 2.950 20 0 GFADRO CNC(=O)c1cccc(NC(=O)N2CC[NH+](CC(C)C)CC2)c1Br ZINC000287436038 563601015 /nfs/dbraw/zinc/60/10/15/563601015.db2.gz OZPOJTWKFNRLTB-UHFFFAOYSA-N 1 0 397.317 2.614 20 0 GFADRO O=C([C@H]1CCS(=O)(=O)C1)N(CCC[NH+]1CCCC1)c1ccc(Cl)cc1 ZINC000411102466 563605695 /nfs/dbraw/zinc/60/56/95/563605695.db2.gz OJCLDVBDFXELTC-HNNXBMFYSA-N 1 0 384.929 2.594 20 0 GFADRO Cc1cc(Br)c(NC(=O)C(=O)NCC(C)(C)[NH+](C)C)cc1Cl ZINC000411132036 563607070 /nfs/dbraw/zinc/60/70/70/563607070.db2.gz XNJVHAOLFXMQJH-UHFFFAOYSA-N 1 0 390.709 2.806 20 0 GFADRO CC[NH+](CC)[C@H]1CCN([C@@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000433240015 563607566 /nfs/dbraw/zinc/60/75/66/563607566.db2.gz JZWYBKVFCSAMOL-DLBZAZTESA-N 1 0 380.330 2.971 20 0 GFADRO C[C@H](CN1CC[NH+](C)CC1)Nc1cc(Br)cnc1Br ZINC000287574167 563608517 /nfs/dbraw/zinc/60/85/17/563608517.db2.gz XFRFUAKWBZZONY-SNVBAGLBSA-N 1 0 392.139 2.654 20 0 GFADRO C[C@@H](CN1CC[NH+](C)CC1)Nc1cc(Br)cnc1Br ZINC000287574162 563608563 /nfs/dbraw/zinc/60/85/63/563608563.db2.gz XFRFUAKWBZZONY-JTQLQIEISA-N 1 0 392.139 2.654 20 0 GFADRO C[C@@H](C(=O)NC(=O)NC1CC1)[N@@H+]1CC[C@H](Cc2ccc(Br)cc2)C1 ZINC000433311173 563608924 /nfs/dbraw/zinc/60/89/24/563608924.db2.gz KYHFSURIXKLKMJ-GXTWGEPZSA-N 1 0 394.313 2.690 20 0 GFADRO O=C(C[N@H+]1CC[C@@H](Cc2ccc(Br)cc2)C1)NC[C@@H]1CCCO1 ZINC000433315839 563608969 /nfs/dbraw/zinc/60/89/69/563608969.db2.gz ZHMCIBVHBWJZNU-RDJZCZTQSA-N 1 0 381.314 2.609 20 0 GFADRO CCCNC(=O)NC(=O)C[N@@H+]1CC[C@H](Cc2ccc(Br)cc2)C1 ZINC000433316702 563609163 /nfs/dbraw/zinc/60/91/63/563609163.db2.gz GVNHWJUFZXJFLZ-CQSZACIVSA-N 1 0 382.302 2.549 20 0 GFADRO Cc1cc(NC(=O)C[N@@H+]2CC[C@H](Cc3ccc(Br)cc3)C2)n(C)n1 ZINC000433311776 563609307 /nfs/dbraw/zinc/60/93/07/563609307.db2.gz NMSCCQDDGDJHFO-OAHLLOKOSA-N 1 0 391.313 2.994 20 0 GFADRO Cc1cc(NC(=O)C(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)cc(F)c1Br ZINC000332646356 563609728 /nfs/dbraw/zinc/60/97/28/563609728.db2.gz ZUJCCUFKQACHTJ-WCQYABFASA-N 1 0 398.276 2.530 20 0 GFADRO C[C@@H]1CCN(C(=O)N[C@H]2CCN(c3ccc(Br)cc3)C2)C[C@@H]1C[NH3+] ZINC000332647655 563609740 /nfs/dbraw/zinc/60/97/40/563609740.db2.gz JDNFQENRVNYWFC-YCPHGPKFSA-N 1 0 395.345 2.654 20 0 GFADRO C[C@@H]1C[N@H+](CCCNC(=O)NCc2ccc(Br)cc2)CCCO1 ZINC000433332021 563609791 /nfs/dbraw/zinc/60/97/91/563609791.db2.gz RELFTIDEGXGYGI-CQSZACIVSA-N 1 0 384.318 2.749 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(I)cc1NC ZINC000411219192 563610883 /nfs/dbraw/zinc/61/08/83/563610883.db2.gz AYQQBOGESJDFOJ-LBPRGKRZSA-N 1 0 387.265 2.547 20 0 GFADRO Cc1c(C(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)nnn1-c1cccc(Br)c1 ZINC000332677686 563611066 /nfs/dbraw/zinc/61/10/66/563611066.db2.gz RQOQDAZEZTWYBQ-RISCZKNCSA-N 1 0 392.301 2.551 20 0 GFADRO O=C(N[C@@H]1CCSc2ccc(Cl)cc21)c1ncn([C@H]2CCC[NH2+]C2)n1 ZINC000433407270 563612071 /nfs/dbraw/zinc/61/20/71/563612071.db2.gz AQPKWBOPKUHKIV-GXTWGEPZSA-N 1 0 377.901 2.823 20 0 GFADRO C[NH+]1CCC(O)(CNC(=O)Nc2ccc(Cl)cc2OCC(F)F)CC1 ZINC000287683670 563613330 /nfs/dbraw/zinc/61/33/30/563613330.db2.gz SIFSTDYPTZITBS-UHFFFAOYSA-N 1 0 377.819 2.562 20 0 GFADRO O=C(N[C@H]1CC[N@@H+](C2CC2)C1)[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000332790203 563614359 /nfs/dbraw/zinc/61/43/59/563614359.db2.gz VFZWMVBZSCODSG-SMDDNHRTSA-N 1 0 382.291 2.699 20 0 GFADRO C[C@H](CNS(=O)(=O)c1cc(Br)sc1Cl)[N@H+](C)C1CC1 ZINC000433644919 563617158 /nfs/dbraw/zinc/61/71/58/563617158.db2.gz MGDFDBJPGXQTOG-SSDOTTSWSA-N 1 0 387.752 2.925 20 0 GFADRO C[C@H]1CC[C@H](C)[NH+]1CC(=O)N[C@H]1CCO[C@@H]1c1cncc(Br)c1 ZINC000333008134 563617420 /nfs/dbraw/zinc/61/74/20/563617420.db2.gz OZNBUPFDKGUIJF-WXRXAMBDSA-N 1 0 382.302 2.663 20 0 GFADRO CSc1ccc(OC[C@H](O)C[NH2+][C@@H](C[S@@](C)=O)c2ccccc2)cc1 ZINC000411470518 563620329 /nfs/dbraw/zinc/62/03/29/563620329.db2.gz JFDFBPXKMUECGJ-IYJATWDHSA-N 1 0 379.547 2.858 20 0 GFADRO CNc1cc(I)ccc1C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000411472769 563620522 /nfs/dbraw/zinc/62/05/22/563620522.db2.gz NQIOKXLDHLHROR-STQMWFEESA-N 1 0 399.276 2.690 20 0 GFADRO COc1cc(Br)c(NC(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)cc1OC ZINC000333117163 563621442 /nfs/dbraw/zinc/62/14/42/563621442.db2.gz HOZDVZIXNXXXLV-GHMZBOCLSA-N 1 0 384.274 2.540 20 0 GFADRO C[C@@H](C1CC[NH+](C)CC1)N(C)S(=O)(=O)Cc1cccc(Br)c1 ZINC000287900735 563621831 /nfs/dbraw/zinc/62/18/31/563621831.db2.gz SFTUAMAPOKHRIS-ZDUSSCGKSA-N 1 0 389.359 2.941 20 0 GFADRO Cc1nn(C)c(NC(=O)N2CC[NH2+]C[C@@H]2C)c1-c1ccc(Br)cc1 ZINC000333170071 563622703 /nfs/dbraw/zinc/62/27/03/563622703.db2.gz PQQOUTFVYSWJFH-NSHDSACASA-N 1 0 392.301 2.984 20 0 GFADRO COc1cc(Br)c(NC(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1OC ZINC000333180619 563623386 /nfs/dbraw/zinc/62/33/86/563623386.db2.gz RVTTXPYOUCZYDH-PWSUYJOCSA-N 1 0 384.274 2.682 20 0 GFADRO Cc1cc(NC(=O)C(=O)N[C@@H](C)C[N@@H+](C)C(C)C)cc(F)c1Br ZINC000411560651 563623663 /nfs/dbraw/zinc/62/36/63/563623663.db2.gz YPQDTBXGFMWPLX-NSHDSACASA-N 1 0 388.281 2.680 20 0 GFADRO [NH3+][C@H]1CCCO[C@@H]1C1CCN(C(=O)Cc2ccccc2Br)CC1 ZINC000333260034 563626292 /nfs/dbraw/zinc/62/62/92/563626292.db2.gz ISFFKDGEERNYEN-FUHWJXTLSA-N 1 0 381.314 2.737 20 0 GFADRO CCO[C@@H]1C[C@@](CO)([NH2+]CCC(=O)Nc2ccccc2Br)C1(C)C ZINC000411611928 563626614 /nfs/dbraw/zinc/62/66/14/563626614.db2.gz OEJXGHNHRPFWMQ-QAPCUYQASA-N 1 0 399.329 2.933 20 0 GFADRO O=C1CCC[C@@H]1[C@@H]1COCCN1C[C@H](O)COc1ccc(Cl)cc1Cl ZINC000333339867 563628672 /nfs/dbraw/zinc/62/86/72/563628672.db2.gz SQLZJGVQEOICLP-LZWOXQAQSA-N 1 0 388.291 2.803 20 0 GFADRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)Nc3nnc(-c4ccc(Cl)cc4F)s3)C[C@H]12 ZINC000333332422 563628905 /nfs/dbraw/zinc/62/89/05/563628905.db2.gz ONBZBJNDIHURJZ-YDEJPDAXSA-N 1 0 381.864 3.199 20 0 GFADRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)Nc3ccc4nccnc4c3Br)C[C@@H]21 ZINC000333370514 563629572 /nfs/dbraw/zinc/62/95/72/563629572.db2.gz UYWFAEMVVHIDPT-SDDRHHMPSA-N 1 0 390.285 2.983 20 0 GFADRO Cc1cc(NC(=O)C(=O)NCC[C@H]2CCC[N@@H+](C)C2)ccc1Br ZINC000411681522 563629772 /nfs/dbraw/zinc/62/97/72/563629772.db2.gz ZEARVZINUOCMKS-CYBMUJFWSA-N 1 0 382.302 2.544 20 0 GFADRO C[C@H]1C[N@H+](CCCNC(=O)NCc2cc(F)c(Cl)cc2F)CCCO1 ZINC000434429354 563630612 /nfs/dbraw/zinc/63/06/12/563630612.db2.gz PLUVEWMBGNXMFS-LBPRGKRZSA-N 1 0 375.847 2.918 20 0 GFADRO CSc1ccc(OC[C@H](O)C[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)cc1 ZINC000411716199 563631100 /nfs/dbraw/zinc/63/11/00/563631100.db2.gz FIIFZSJTALDEMD-XJKCOSOUSA-N 1 0 379.444 2.641 20 0 GFADRO C[C@H]([NH3+])CCC(=O)N1CCC(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000434687082 563634668 /nfs/dbraw/zinc/63/46/68/563634668.db2.gz WDWSVIGTAKHZSH-LBPRGKRZSA-N 1 0 382.302 2.754 20 0 GFADRO O=C(c1cc(-c2ccc(Br)cc2)n[nH]1)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000333506352 563634810 /nfs/dbraw/zinc/63/48/10/563634810.db2.gz DJFHZOWNSSVSKS-BLLLJJGKSA-N 1 0 375.270 2.663 20 0 GFADRO Cc1cc(F)c(Br)cc1NC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000333550612 563635022 /nfs/dbraw/zinc/63/50/22/563635022.db2.gz JKUDZUQNCGMAHA-SMDDNHRTSA-N 1 0 396.264 2.589 20 0 GFADRO CCc1csc(NC(=O)C(=O)NC[C@H](c2ccsc2)[NH+](CC)CC)n1 ZINC000434723620 563636481 /nfs/dbraw/zinc/63/64/81/563636481.db2.gz CEJZWJYHQCZSJC-CQSZACIVSA-N 1 0 380.539 2.905 20 0 GFADRO O=C(Nc1cc(N2CCOCC2)c(Br)cn1)NC1CC(F)(F)C1 ZINC000333686578 563639248 /nfs/dbraw/zinc/63/92/48/563639248.db2.gz PZOFFDAHJZAONP-UHFFFAOYSA-N 1 0 391.216 2.600 20 0 GFADRO COC(=O)[C@@H]1CN(C)CC[N@H+](CC/C=C/c2ccc(Br)cc2)C1 ZINC000411902811 563640450 /nfs/dbraw/zinc/64/04/50/563640450.db2.gz IVTBVQMWYOKFMX-LLCTXKFZSA-N 1 0 381.314 2.889 20 0 GFADRO [NH3+][C@H]1CCCO[C@H]1C1CCN(C(=O)c2ccc(F)c(Br)c2)CC1 ZINC000333774950 563641822 /nfs/dbraw/zinc/64/18/22/563641822.db2.gz CQLFTMLLAHEQHT-HOTGVXAUSA-N 1 0 385.277 2.947 20 0 GFADRO OC[C@@H]([NH2+]Cc1ccc(I)c(Cl)c1)[C@@H]1CCCOC1 ZINC000411986958 563643198 /nfs/dbraw/zinc/64/31/98/563643198.db2.gz LLTBDMJISJMJDZ-BXUZGUMPSA-N 1 0 395.668 2.822 20 0 GFADRO OC[C@@H]([NH2+]Cc1c(F)c(F)c(Br)c(F)c1F)[C@@H]1CCCOC1 ZINC000411990147 563643251 /nfs/dbraw/zinc/64/32/51/563643251.db2.gz QTOBXGXQDOSFOM-VXNVDRBHSA-N 1 0 386.183 2.883 20 0 GFADRO OC[C@H]([NH2+]Cc1ccc(I)c(Cl)c1)[C@H]1CCCOC1 ZINC000411986960 563643318 /nfs/dbraw/zinc/64/33/18/563643318.db2.gz LLTBDMJISJMJDZ-FZMZJTMJSA-N 1 0 395.668 2.822 20 0 GFADRO Cc1nn(-c2cc(C)ccc2C)c(Cl)c1CN[C@@H]1CS(=O)(=O)C[C@@H]1C ZINC000288453042 563643651 /nfs/dbraw/zinc/64/36/51/563643651.db2.gz DDPOYCREIJWHRA-XJKSGUPXSA-N 1 0 381.929 2.974 20 0 GFADRO Cc1cc(S(=O)(=O)N2CCC[C@@H]2C[NH+](C)C)c(C)cc1Br ZINC000435210252 563644416 /nfs/dbraw/zinc/64/44/16/563644416.db2.gz HVTJLPWZHHGCON-CYBMUJFWSA-N 1 0 375.332 2.781 20 0 GFADRO CN(C(=O)NCc1cc(Br)c2c(c1)OCCO2)[C@@H]1CCC[NH2+]CC1 ZINC000333896105 563644615 /nfs/dbraw/zinc/64/46/15/563644615.db2.gz AQWRNZPGFXYBJY-CYBMUJFWSA-N 1 0 398.301 2.504 20 0 GFADRO C[C@@H]1C[C@H](O)C[N@H+](C[C@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000412032176 563645045 /nfs/dbraw/zinc/64/50/45/563645045.db2.gz HJBBQJDCPLVURB-WXHSDQCUSA-N 1 0 378.694 2.545 20 0 GFADRO CCOc1ccc(S(=O)(=O)N2CCC[C@@H]2C[NH+](C)C)cc1Br ZINC000435230126 563646169 /nfs/dbraw/zinc/64/61/69/563646169.db2.gz NUTGKAMQRKOATE-GFCCVEGCSA-N 1 0 391.331 2.563 20 0 GFADRO Cc1nn2c(CN(Cc3scnc3C)C[C@H]3CC[NH2+]C3)c(C)nc2s1 ZINC000435441882 563650983 /nfs/dbraw/zinc/65/09/83/563650983.db2.gz IEHPRGCVDAPDPV-AWEZNQCLSA-N 1 0 376.555 2.784 20 0 GFADRO Cc1c(Br)cccc1S(=O)(=O)N[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000435444995 563651909 /nfs/dbraw/zinc/65/19/09/563651909.db2.gz UGHFRXYGFNDQOR-CYBMUJFWSA-N 1 0 375.332 2.909 20 0 GFADRO O=C(Nc1n[nH]cc1Br)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000412342106 563654212 /nfs/dbraw/zinc/65/42/12/563654212.db2.gz GLWOHKZKDCRJSG-GFCCVEGCSA-N 1 0 381.249 3.162 20 0 GFADRO CN(CC[NH2+]Cc1cc(F)c(F)c(F)c1)S(=O)(=O)c1ccc(F)cc1 ZINC000435731174 563657894 /nfs/dbraw/zinc/65/78/94/563657894.db2.gz JUWOHQYTXIJKEP-UHFFFAOYSA-N 1 0 376.375 2.653 20 0 GFADRO C[N@H+](CCn1cc(Br)cn1)C[C@@H]1CCN(C(=O)c2ccccc2)C1 ZINC000288815111 563658112 /nfs/dbraw/zinc/65/81/12/563658112.db2.gz MRCQRQJPJWGBCU-HNNXBMFYSA-N 1 0 391.313 2.740 20 0 GFADRO CSC1(CN2C(=O)CN(Cc3ccc(Cl)cc3)C2=O)CC[NH+](C)CC1 ZINC000348984202 563658695 /nfs/dbraw/zinc/65/86/95/563658695.db2.gz JFZVLJQOTNVUCZ-UHFFFAOYSA-N 1 0 381.929 2.932 20 0 GFADRO COc1cc(OCC[NH+](C)C)ccc1NC(=O)CSCc1cscn1 ZINC000412561224 563661864 /nfs/dbraw/zinc/66/18/64/563661864.db2.gz DKUAHJFXMIPNDC-UHFFFAOYSA-N 1 0 381.523 2.964 20 0 GFADRO C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@H]1C[C@H](c2ccc(F)c(Br)c2)C1 ZINC000435990384 563662077 /nfs/dbraw/zinc/66/20/77/563662077.db2.gz OHUJRLNFIFRVTC-QEJZJMRPSA-N 1 0 399.304 2.919 20 0 GFADRO O=C(N[C@H]1CCN(c2ccc(Br)cc2)C1)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000436300558 563668450 /nfs/dbraw/zinc/66/84/50/563668450.db2.gz JQMACWSFCXSSJT-QIIPPGSGSA-N 1 0 378.314 2.534 20 0 GFADRO CCN(CC)S(=O)(=O)c1ccc(CC[NH2+]Cc2ccc(OC)nc2)s1 ZINC000436233765 563668464 /nfs/dbraw/zinc/66/84/64/563668464.db2.gz UHWJWDVCUOQPKF-UHFFFAOYSA-N 1 0 383.539 2.515 20 0 GFADRO CN(Cc1ccc(Br)cc1)C(=O)Nc1ccnn1CC[NH+](C)C ZINC000436485681 563672191 /nfs/dbraw/zinc/67/21/91/563672191.db2.gz GZTOPMMJGMUQOW-UHFFFAOYSA-N 1 0 380.290 2.871 20 0 GFADRO Cc1cc(C[NH+]2CCC(CNS(C)(=O)=O)CC2)cc(C)c1OC(F)F ZINC000289533099 563677161 /nfs/dbraw/zinc/67/71/61/563677161.db2.gz QAWQBNJZYVUSRE-UHFFFAOYSA-N 1 0 376.469 2.666 20 0 GFADRO O[C@H]1[C@@H](C[NH2+]Cc2nc3ccccn3c2Br)CCC12CCOCC2 ZINC000289662400 563681988 /nfs/dbraw/zinc/68/19/88/563681988.db2.gz LZHGKPBLZLRBMF-CJNGLKHVSA-N 1 0 394.313 2.754 20 0 GFADRO [NH3+][C@H]1CCc2nc(NC(=O)c3cc(Cl)nc(N4CCCC4)c3)sc2C1 ZINC000289692535 563683572 /nfs/dbraw/zinc/68/35/72/563683572.db2.gz FADKYSUCSOEQED-NSHDSACASA-N 1 0 377.901 2.860 20 0 GFADRO CN(C)[C@@H](C[NH2+][C@H]1CCCc2ccc(S(N)(=O)=O)cc21)c1ccsc1 ZINC000289696112 563683712 /nfs/dbraw/zinc/68/37/12/563683712.db2.gz KDLUZODMXIZSQF-ROUUACIJSA-N 1 0 379.551 2.665 20 0 GFADRO COc1c(Cl)cc(Cl)cc1C[N@@H+]1CCC[C@@H]1C[C@@]1(C)NC(=O)NC1=O ZINC000289761954 563685747 /nfs/dbraw/zinc/68/57/47/563685747.db2.gz QYXQQHHVNLNHPI-SJKOYZFVSA-N 1 0 386.279 2.955 20 0 GFADRO CC[N@@H+]1C[C@@H](C)N(C(=O)c2cc(I)ccc2O)C[C@@H]1C ZINC000436992974 563687825 /nfs/dbraw/zinc/68/78/25/563687825.db2.gz ZLBKLHUWARHNAG-WDEREUQCSA-N 1 0 388.249 2.552 20 0 GFADRO Brc1cnn(CCCC[NH2+]Cc2cnc(C3OCCO3)s2)c1 ZINC000289911386 563690807 /nfs/dbraw/zinc/69/08/07/563690807.db2.gz YADISLXWNWDQNA-UHFFFAOYSA-N 1 0 387.303 2.718 20 0 GFADRO CO[C@@H]1COC[C@H]1n1cc(C[NH2+][C@H](C)Cc2c(Cl)cccc2Cl)nn1 ZINC000289906540 563691007 /nfs/dbraw/zinc/69/10/07/563691007.db2.gz UFXAIAAGCGLOJN-SSKCKEOISA-N 1 0 385.295 2.892 20 0 GFADRO Cc1ccc(Br)c(CNC(=O)NCCN2CCC([NH+](C)C)CC2)c1 ZINC000413404495 563691493 /nfs/dbraw/zinc/69/14/93/563691493.db2.gz OQKASQPVYXVQFI-UHFFFAOYSA-N 1 0 397.361 2.583 20 0 GFADRO O=C(Nc1cncc(Br)c1)c1cnn(CC[NH+]2CCCCC2)c1 ZINC000360619939 563693795 /nfs/dbraw/zinc/69/37/95/563693795.db2.gz QIZCKFNYHFLLHW-UHFFFAOYSA-N 1 0 378.274 2.779 20 0 GFADRO C[C@@H](C[NH2+]C1CCN(S(=O)(=O)c2cccs2)CC1)N1CCC(C)CC1 ZINC000361240153 563697536 /nfs/dbraw/zinc/69/75/36/563697536.db2.gz FCHKNISUTLOYKO-INIZCTEOSA-N 1 0 385.599 2.611 20 0 GFADRO Brc1cnc(CN2C[C@H]3CCC[C@@H](C2)[NH2+]3)c(Br)c1 ZINC000437789856 563698766 /nfs/dbraw/zinc/69/87/66/563698766.db2.gz WUNSXMFCKDRIQB-PHIMTYICSA-N 1 0 375.108 2.933 20 0 GFADRO O=S(=O)(c1sccc1Br)N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000361476090 563700165 /nfs/dbraw/zinc/70/01/65/563700165.db2.gz ABUDBNNACJOCRP-LOWVWBTDSA-N 1 0 391.356 2.615 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CN1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000361942626 563702130 /nfs/dbraw/zinc/70/21/30/563702130.db2.gz IFTMTULQLYTKJN-OAHLLOKOSA-N 1 0 398.370 2.819 20 0 GFADRO C[C@H](C[NH2+][C@@H]1CCN(c2ccn(C)n2)C1=O)c1cccc(Br)c1 ZINC000362035404 563702616 /nfs/dbraw/zinc/70/26/16/563702616.db2.gz ZZLRZWNVROLYFL-IUODEOHRSA-N 1 0 377.286 2.681 20 0 GFADRO O=C(C1CC[NH+](Cc2ccc(Cl)s2)CC1)N1CCCC2(C1)OCCO2 ZINC000362119727 563703777 /nfs/dbraw/zinc/70/37/77/563703777.db2.gz WGZJEJQVCORKCF-UHFFFAOYSA-N 1 0 384.929 2.979 20 0 GFADRO Cc1ccc(Br)c(CNC(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)c1 ZINC000413739657 563704091 /nfs/dbraw/zinc/70/40/91/563704091.db2.gz KXSWHGOEJBOGCG-CQSZACIVSA-N 1 0 398.345 2.744 20 0 GFADRO Cc1ccc(Br)c(CNC(=O)N[C@H](C)CC[NH+]2CCN(C)CC2)c1 ZINC000413742493 563704162 /nfs/dbraw/zinc/70/41/62/563704162.db2.gz NSRLAHPHWSAWRA-OAHLLOKOSA-N 1 0 397.361 2.583 20 0 GFADRO C[N@@H+]1CC[C@H]2CCN(C(=O)c3cn(-c4ccc(Br)cc4)cn3)C[C@H]21 ZINC000362277186 563705420 /nfs/dbraw/zinc/70/54/20/563705420.db2.gz CXKUMMXCXCODQL-SUMWQHHRSA-N 1 0 389.297 2.801 20 0 GFADRO Brc1ccc2ncc(CN3CC[NH+]([C@@H]4CCSC4)CC3)n2c1 ZINC000362334683 563706333 /nfs/dbraw/zinc/70/63/33/563706333.db2.gz IHLBCTUBTUWJTI-CQSZACIVSA-N 1 0 381.343 2.720 20 0 GFADRO CC1CC[NH+](C[C@@H](O)CNC(=O)Nc2ccc(Br)c(F)c2)CC1 ZINC000438622603 563708088 /nfs/dbraw/zinc/70/80/88/563708088.db2.gz BJGUMDJWWNRALS-ZDUSSCGKSA-N 1 0 388.281 2.803 20 0 GFADRO COCCC[N@@H+]1CCCN(C(=O)c2cccnc2SC(F)(F)F)CC1 ZINC000362883888 563710196 /nfs/dbraw/zinc/71/01/96/563710196.db2.gz FWNOUOSWPFLJBP-UHFFFAOYSA-N 1 0 377.432 2.878 20 0 GFADRO CC[NH+](CC)[C@H](C)CNC(=O)N1CCC(n2cc(Br)cn2)CC1 ZINC000362990093 563711958 /nfs/dbraw/zinc/71/19/58/563711958.db2.gz RSINHNFTNALDAN-CYBMUJFWSA-N 1 0 386.338 2.722 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)C(=O)NCC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000363043869 563712661 /nfs/dbraw/zinc/71/26/61/563712661.db2.gz ITQACYZNBKWJCE-LQDVMPOASA-N 1 0 394.313 2.685 20 0 GFADRO CCO[C@H](CC[NH+](C)C)CNC(=O)c1cc(Cl)ncc1Br ZINC000290549421 563713613 /nfs/dbraw/zinc/71/36/13/563713613.db2.gz XRAMTNOXBUICOS-SNVBAGLBSA-N 1 0 378.698 2.584 20 0 GFADRO C[C@H](c1ncc(Br)cn1)N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000438990182 563714799 /nfs/dbraw/zinc/71/47/99/563714799.db2.gz XEXIKXBKRXFWSS-BZUAXINKSA-N 1 0 396.377 2.791 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)[C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC000363129704 563715173 /nfs/dbraw/zinc/71/51/73/563715173.db2.gz KMALMASSAADCNJ-DZGCQCFKSA-N 1 0 394.313 2.687 20 0 GFADRO COc1ccc(CC[NH2+][C@@H](C)Cn2cc(Br)ccc2=O)c(OC)c1 ZINC000414064766 563717388 /nfs/dbraw/zinc/71/73/88/563717388.db2.gz FDUHMXSGRHNQBJ-ZDUSSCGKSA-N 1 0 395.297 2.849 20 0 GFADRO CC(=O)Nc1cccc(C[NH2+][C@H](C)Cn2cc(Br)ccc2=O)c1 ZINC000414065714 563717533 /nfs/dbraw/zinc/71/75/33/563717533.db2.gz OVZLOWGWSQPWGY-GFCCVEGCSA-N 1 0 378.270 2.748 20 0 GFADRO Cc1nnc(CCNC(=O)NCC2CC[NH+](Cc3cccs3)CC2)s1 ZINC000290697635 563718572 /nfs/dbraw/zinc/71/85/72/563718572.db2.gz KGQZFCHFKKPAEP-UHFFFAOYSA-N 1 0 379.555 2.662 20 0 GFADRO COC[C@@H]([NH2+]CC1CCN(S(=O)(=O)C(F)F)CC1)c1cccc(Cl)c1 ZINC000290726491 563718949 /nfs/dbraw/zinc/71/89/49/563718949.db2.gz OZWXZLKQECHVIH-OAHLLOKOSA-N 1 0 396.887 2.882 20 0 GFADRO O=S(=O)(Cc1ccon1)NCC[NH2+][C@@H]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000414112230 563719591 /nfs/dbraw/zinc/71/95/91/563719591.db2.gz MYOCAHZYYIJLGX-GDBMZVCRSA-N 1 0 383.901 2.673 20 0 GFADRO O=S(=O)(Cc1ccon1)NCC[NH2+][C@H]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000414112236 563719787 /nfs/dbraw/zinc/71/97/87/563719787.db2.gz MYOCAHZYYIJLGX-ZBFHGGJFSA-N 1 0 383.901 2.673 20 0 GFADRO COCCNC(=O)C1([NH2+][C@@H]2CCSc3ccc(Br)cc32)CC1 ZINC000414197657 563721724 /nfs/dbraw/zinc/72/17/24/563721724.db2.gz BVFZVASGHAZYRW-CYBMUJFWSA-N 1 0 385.327 2.871 20 0 GFADRO C[C@@H]([NH2+]C[C@@H](N1CCOCC1)C(F)(F)F)c1ccc(Br)nc1 ZINC000290834173 563723227 /nfs/dbraw/zinc/72/32/27/563723227.db2.gz XZOXGNZHZCBLPH-ZYHUDNBSSA-N 1 0 382.224 2.758 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+]C[C@@H](c2cccs2)N2CCCC2)cc1Cl ZINC000414254636 563723905 /nfs/dbraw/zinc/72/39/05/563723905.db2.gz ZQZBKCSORIMCJV-HNNXBMFYSA-N 1 0 399.969 2.976 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+]C[C@H](c2cccs2)N2CCCC2)cc1Cl ZINC000414254639 563724198 /nfs/dbraw/zinc/72/41/98/563724198.db2.gz ZQZBKCSORIMCJV-OAHLLOKOSA-N 1 0 399.969 2.976 20 0 GFADRO C[N@H+](C[C@@H](O)COc1cc(F)cc(Br)c1)[C@@H](CO)c1ccccc1 ZINC000439433992 563724580 /nfs/dbraw/zinc/72/45/80/563724580.db2.gz ASHRZXDNMAZNCS-AEFFLSMTSA-N 1 0 398.272 2.993 20 0 GFADRO Cc1nnc(CCNC(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)s1 ZINC000290886657 563725016 /nfs/dbraw/zinc/72/50/16/563725016.db2.gz STMVLVJNGLZKQT-CQSZACIVSA-N 1 0 379.555 2.662 20 0 GFADRO CCn1cc[nH+]c1NCc1cc(Br)ccc1O[C@H](C)C(=O)NC ZINC000414306434 563725296 /nfs/dbraw/zinc/72/52/96/563725296.db2.gz TUMGVPYGNUPXRI-LLVKDONJSA-N 1 0 381.274 2.791 20 0 GFADRO CN(C)c1ncc(C[NH2+]C[C@H]2CCN(c3ccc(Br)cc3)C2)n1C ZINC000414303983 563725391 /nfs/dbraw/zinc/72/53/91/563725391.db2.gz CLXLNZJYAYLHDD-CQSZACIVSA-N 1 0 392.345 2.865 20 0 GFADRO C[N@@H+]1CCC[C@H](CNC(=O)CSc2cccc[n+]2[O-])[C@H]1c1cccs1 ZINC000363559783 563725965 /nfs/dbraw/zinc/72/59/65/563725965.db2.gz HKMIGXDUTUUHNE-KDOFPFPSSA-N 1 0 377.535 2.673 20 0 GFADRO CN(CC1CC1)S(=O)(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccc(Cl)c1 ZINC000363552927 563726025 /nfs/dbraw/zinc/72/60/25/563726025.db2.gz JMWUMPFQXSBTRM-WMZOPIPTSA-N 1 0 385.961 2.899 20 0 GFADRO CCC[N@H+](CC)C[C@@H](C)NC(=O)c1cc(Cn2cc(Br)cn2)on1 ZINC000290956810 563727143 /nfs/dbraw/zinc/72/71/43/563727143.db2.gz NEGASGANQSODPS-GFCCVEGCSA-N 1 0 398.305 2.532 20 0 GFADRO CS(=O)(=O)c1ccc(C[NH2+]CCCC(=O)N2CCc3ccccc32)s1 ZINC000414344083 563728223 /nfs/dbraw/zinc/72/82/23/563728223.db2.gz CBXXVXDXLXONDA-UHFFFAOYSA-N 1 0 378.519 2.611 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000439591413 563728942 /nfs/dbraw/zinc/72/89/42/563728942.db2.gz TXSZRGVOEMQOOM-HNNXBMFYSA-N 1 0 394.313 2.700 20 0 GFADRO CN(C)c1nc2sc(C(=O)N3C[C@@H]4C[N@@H+]5CCCC[C@@H]5[C@@H]4C3)cc2s1 ZINC000363659576 563729558 /nfs/dbraw/zinc/72/95/58/563729558.db2.gz JJOXNMHJFBMSIT-YNEHKIRRSA-N 1 0 376.551 2.980 20 0 GFADRO CC[NH+](CC)C[C@@H]1CCCC[C@H]1NCc1ccc(S(N)(=O)=O)c(Cl)c1 ZINC000414370684 563730101 /nfs/dbraw/zinc/73/01/01/563730101.db2.gz VRHWPSUVPRFPHW-DOTOQJQBSA-N 1 0 387.977 2.978 20 0 GFADRO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1cc(I)c[nH]1 ZINC000439691080 563730433 /nfs/dbraw/zinc/73/04/33/563730433.db2.gz LWXJXWJAXUUVFP-CYBMUJFWSA-N 1 0 389.281 2.860 20 0 GFADRO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)c1cc(I)c[nH]1 ZINC000439691081 563730531 /nfs/dbraw/zinc/73/05/31/563730531.db2.gz LWXJXWJAXUUVFP-ZDUSSCGKSA-N 1 0 389.281 2.860 20 0 GFADRO C[NH+](C)CC1CCN(C(=O)C(=O)Nc2cc(Cl)c(Cl)cc2F)CC1 ZINC000439750870 563731074 /nfs/dbraw/zinc/73/10/74/563731074.db2.gz JWJWZXWDVVEZKL-UHFFFAOYSA-N 1 0 376.259 2.871 20 0 GFADRO C[C@H](C(=O)Nc1cc(Cl)ccc1Cl)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000363733843 563731733 /nfs/dbraw/zinc/73/17/33/563731733.db2.gz TXKJIFORLHWARC-OAUYIBNBSA-N 1 0 386.323 2.851 20 0 GFADRO Cc1nn(C)c(S(=O)(=O)Nc2ccc(C[NH+](C)C)cc2F)c1C(F)F ZINC000414391159 563733120 /nfs/dbraw/zinc/73/31/20/563733120.db2.gz AKHLYVJEQTUCAK-UHFFFAOYSA-N 1 0 376.404 2.668 20 0 GFADRO CC[NH+](CC)C[C@@H](C)NS(=O)(=O)c1c2ccccc2sc1C(=O)OC ZINC000440072152 563735351 /nfs/dbraw/zinc/73/53/51/563735351.db2.gz BRWJALHRYGXSQB-GFCCVEGCSA-N 1 0 384.523 2.697 20 0 GFADRO COCC[C@H]1COCC[N@@H+]1CCC(=O)Nc1ccc(Br)cc1F ZINC000291243211 563736173 /nfs/dbraw/zinc/73/61/73/563736173.db2.gz NIOVEDMVFPZLFY-ZDUSSCGKSA-N 1 0 389.265 2.654 20 0 GFADRO C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)CN1CC[NH+]([C@H]2CCSC2)CC1 ZINC000363917824 563737112 /nfs/dbraw/zinc/73/71/12/563737112.db2.gz AXYAJOYXLMZWCI-YJBOKZPZSA-N 1 0 381.973 2.983 20 0 GFADRO Cc1nn(C)c(CN[C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)c1Br ZINC000363944600 563737951 /nfs/dbraw/zinc/73/79/51/563737951.db2.gz HZCOSBCUSBHAOJ-CJNGLKHVSA-N 1 0 392.345 2.886 20 0 GFADRO CS(=O)(=O)c1ccc(C[NH2+]CCCCn2cc(Br)cn2)s1 ZINC000414442243 563738124 /nfs/dbraw/zinc/73/81/24/563738124.db2.gz GQFXXVOSPMKMEA-UHFFFAOYSA-N 1 0 392.344 2.681 20 0 GFADRO COC(=O)[C@@](C)(C[NH2+]Cc1ccc(S(C)(=O)=O)s1)c1ccc(F)cc1 ZINC000414444779 563738237 /nfs/dbraw/zinc/73/82/37/563738237.db2.gz LQELTXRMHMZMHO-KRWDZBQOSA-N 1 0 385.482 2.511 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)C(=O)N(C)CCC[NH+]1CCCC1 ZINC000440249562 563738377 /nfs/dbraw/zinc/73/83/77/563738377.db2.gz ZSYRBJIXRBRDRL-UHFFFAOYSA-N 1 0 382.302 2.640 20 0 GFADRO C[C@H]([NH3+])C1CCN(S(=O)(=O)c2cc(Br)sc2Cl)CC1 ZINC000440359155 563740152 /nfs/dbraw/zinc/74/01/52/563740152.db2.gz UZXDFIJPNYLZPB-ZETCQYMHSA-N 1 0 387.752 2.912 20 0 GFADRO O=C(CN1CCC[C@H]1C[N@H+]1CCC[C@H]1CO)Nc1ccc(Cl)c(Cl)c1 ZINC000364057374 563741248 /nfs/dbraw/zinc/74/12/48/563741248.db2.gz RNXBWPNDVPDNJO-GJZGRUSLSA-N 1 0 386.323 2.853 20 0 GFADRO CC(C)[NH2+]C1CCN(C(=O)N[C@H]2C[C@H](C)S(=O)(=O)c3sccc32)CC1 ZINC000291387138 563741633 /nfs/dbraw/zinc/74/16/33/563741633.db2.gz ZALXAPMYFGUWFZ-WFASDCNBSA-N 1 0 385.555 2.527 20 0 GFADRO Cc1cnc(Br)c(NC(=O)C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)c1 ZINC000291441616 563742998 /nfs/dbraw/zinc/74/29/98/563742998.db2.gz YQOJXMKMBAJCLT-UHFFFAOYSA-N 1 0 397.317 2.516 20 0 GFADRO COCC[NH+](CCOC)C1CCN(Cc2ccnc(Cl)c2Cl)CC1 ZINC000291474652 563744703 /nfs/dbraw/zinc/74/47/03/563744703.db2.gz FEPUEHUMOLGBQD-UHFFFAOYSA-N 1 0 376.328 2.948 20 0 GFADRO O=C(Nc1nccn1Cc1ccc(Br)cc1)[C@H]1C[C@]12CC[NH2+]C2 ZINC000364215342 563746042 /nfs/dbraw/zinc/74/60/42/563746042.db2.gz OZGZJCXPDZVFTB-PBHICJAKSA-N 1 0 375.270 2.632 20 0 GFADRO C[N@@H+]1CCN(CCNc2ccc3cc(Br)c(F)cc3n2)CC1(C)C ZINC000440651836 563746236 /nfs/dbraw/zinc/74/62/36/563746236.db2.gz QPBMGDYUBGDFRS-UHFFFAOYSA-N 1 0 395.320 3.574 20 0 GFADRO O=C(Nc1nnc(-c2cccc(Br)c2)s1)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000364214816 563746220 /nfs/dbraw/zinc/74/62/20/563746220.db2.gz MFAJEYSEYFSXEJ-XHDPSFHLSA-N 1 0 379.283 2.906 20 0 GFADRO O=C(Nc1nccn1Cc1ccc(Br)cc1)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000364215345 563746398 /nfs/dbraw/zinc/74/63/98/563746398.db2.gz OZGZJCXPDZVFTB-YOEHRIQHSA-N 1 0 375.270 2.632 20 0 GFADRO NC(=O)c1cn(CCCC[NH2+]Cc2cc(Cl)cc(C(F)(F)F)c2)nn1 ZINC000414563164 563746990 /nfs/dbraw/zinc/74/69/90/563746990.db2.gz BQPMKYXACGOEFW-UHFFFAOYSA-N 1 0 375.782 2.619 20 0 GFADRO COC(=O)COC[C@H](C)[NH2+]C1CCN(Cc2cccc(Br)c2)CC1 ZINC000414584032 563747765 /nfs/dbraw/zinc/74/77/65/563747765.db2.gz IJNRCBMLZYLCSM-AWEZNQCLSA-N 1 0 399.329 2.581 20 0 GFADRO [NH3+]C1(CNS(=O)(=O)c2cc(Br)c(Cl)cc2Cl)CCC1 ZINC000440739833 563748771 /nfs/dbraw/zinc/74/87/71/563748771.db2.gz CDVKHRMMVZEIHT-UHFFFAOYSA-N 1 0 388.114 2.916 20 0 GFADRO COCCCOc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000440800595 563750104 /nfs/dbraw/zinc/75/01/04/563750104.db2.gz NBYWLLUWMYLMOU-AWEZNQCLSA-N 1 0 390.933 2.505 20 0 GFADRO COc1cc(Cl)c(S(=O)(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)cc1Cl ZINC000291612010 563750183 /nfs/dbraw/zinc/75/01/83/563750183.db2.gz BGILYRBWGUYXFV-OAHLLOKOSA-N 1 0 379.309 2.718 20 0 GFADRO C[C@H]1CCN(C(=O)Nc2nnc(SCc3ccccc3)s2)C[C@@H]1C[NH3+] ZINC000414714832 563751163 /nfs/dbraw/zinc/75/11/63/563751163.db2.gz VXMPVITYWRWZGC-JSGCOSHPSA-N 1 0 377.539 3.279 20 0 GFADRO C[C@H]1CCCN(C(=O)Nc2nnc(SCc3ccccc3)s2)[C@@H]1C[NH3+] ZINC000414714879 563751172 /nfs/dbraw/zinc/75/11/72/563751172.db2.gz WBMZNJRZZMZKCR-GXTWGEPZSA-N 1 0 377.539 3.422 20 0 GFADRO COc1c(Br)cccc1C[NH2+][C@@H]1CCN(C(=O)c2ccncc2)C1 ZINC000364365178 563751345 /nfs/dbraw/zinc/75/13/45/563751345.db2.gz NDQBDRXIKUDJPD-OAHLLOKOSA-N 1 0 390.281 2.857 20 0 GFADRO [NH3+]CC[C@@H](NC(=O)Nc1ccc(S(=O)(=O)C2CCCC2)cc1)C(F)F ZINC000414839839 563753361 /nfs/dbraw/zinc/75/33/61/563753361.db2.gz WPMXYSVVOYYJNG-CQSZACIVSA-N 1 0 375.441 2.507 20 0 GFADRO Brc1cc(C[NH2+]CCCNCc2cccnc2)cc2c1OCCO2 ZINC000414879608 563753855 /nfs/dbraw/zinc/75/38/55/563753855.db2.gz PFBVQDZKUNSNOR-UHFFFAOYSA-N 1 0 392.297 2.885 20 0 GFADRO C[NH2+]C[C@H]1CCCN1C(=O)Nc1cc(Br)ccc1N1CCOCC1 ZINC000414931194 563754459 /nfs/dbraw/zinc/75/44/59/563754459.db2.gz QYHGEDDDBSMTIP-CQSZACIVSA-N 1 0 397.317 2.501 20 0 GFADRO CCOc1cc(CNC[C@]2(COC)CCC[NH2+]2)cc(Br)c1OC ZINC000414938250 563754674 /nfs/dbraw/zinc/75/46/74/563754674.db2.gz DYYWBYOXMDYFNC-KRWDZBQOSA-N 1 0 387.318 2.715 20 0 GFADRO CCOC(=O)COc1c(Br)cc(C)cc1CN[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414962564 563755320 /nfs/dbraw/zinc/75/53/20/563755320.db2.gz ZTTLZAPLMGQUCO-UKRRQHHQSA-N 1 0 399.329 2.930 20 0 GFADRO CON(C)C(=O)C1CC[NH+](CCC(=O)Nc2cccc(Br)c2)CC1 ZINC000291722445 563755687 /nfs/dbraw/zinc/75/56/87/563755687.db2.gz JCHRXWCLHOXXSS-UHFFFAOYSA-N 1 0 398.301 2.510 20 0 GFADRO O=C(c1ccco1)N1CCCN(C[C@H](O)c2cccc(Br)c2)CC1 ZINC000364522171 563756281 /nfs/dbraw/zinc/75/62/81/563756281.db2.gz APQVJZZPEZPFBD-INIZCTEOSA-N 1 0 393.281 2.924 20 0 GFADRO FC(F)(F)Oc1ccc(CNC[C@H]2C[NH2+]CCCO2)cc1Br ZINC000415048850 563757742 /nfs/dbraw/zinc/75/77/42/563757742.db2.gz XMFSAHUQXWLHNK-LLVKDONJSA-N 1 0 383.208 2.816 20 0 GFADRO CC(C)[C@H]1C[C@H]([NH2+]CCNS(=O)(=O)c2ccc(Cl)cc2F)CCO1 ZINC000441338536 563758251 /nfs/dbraw/zinc/75/82/51/563758251.db2.gz FVXNYALZQKAJSL-UKRRQHHQSA-N 1 0 378.897 2.551 20 0 GFADRO Cc1c(Br)cccc1NC(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000415097932 563758667 /nfs/dbraw/zinc/75/86/67/563758667.db2.gz UMKKUBUPAAJUJW-ZDUSSCGKSA-N 1 0 397.317 2.609 20 0 GFADRO CCOc1ccccc1C[NH2+]CCNS(=O)(=O)c1ccc(Cl)cc1F ZINC000441370287 563759027 /nfs/dbraw/zinc/75/90/27/563759027.db2.gz PXXNCGVXGYZLGL-UHFFFAOYSA-N 1 0 386.876 2.946 20 0 GFADRO CN1CC[NH+](CC2(C)CCN(C(=O)NCc3ccc(Cl)s3)CC2)CC1 ZINC000364616025 563759541 /nfs/dbraw/zinc/75/95/41/563759541.db2.gz YLIAOSXQLYXSDW-UHFFFAOYSA-N 1 0 384.977 2.961 20 0 GFADRO O=C1N[C@H]2CN(Cc3cc(Cl)cc(Cl)c3)CC[C@@H]2N1C1CC[NH2+]CC1 ZINC000415137344 563760243 /nfs/dbraw/zinc/76/02/43/563760243.db2.gz IUWNCXOJNZCRGX-IRXDYDNUSA-N 1 0 383.323 2.714 20 0 GFADRO O=C(Nc1cc(Cl)ccc1N1CCSCC1)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000415125686 563760465 /nfs/dbraw/zinc/76/04/65/563760465.db2.gz SPHKGZCXMLBKLF-UONOGXRCSA-N 1 0 380.945 2.966 20 0 GFADRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)Nc1cc(Br)ccc1-n1cccn1 ZINC000415158705 563760958 /nfs/dbraw/zinc/76/09/58/563760958.db2.gz IUNQNNHBYLNZGW-NEPJUHHUSA-N 1 0 378.274 2.836 20 0 GFADRO [NH3+]C[C@H]1CC[C@H](NC(=O)Nc2cc(Br)ccc2-n2cccn2)C1 ZINC000415163717 563761382 /nfs/dbraw/zinc/76/13/82/563761382.db2.gz OUPUGFLCMANYBL-AAEUAGOBSA-N 1 0 378.274 2.884 20 0 GFADRO C[N@@H+]1CC[C@@]2(CCN([C@@H]3CC(=O)N(c4cccc(Cl)c4Cl)C3=O)C2)C1 ZINC000291854684 563761455 /nfs/dbraw/zinc/76/14/55/563761455.db2.gz IEAADDSAOJJCFG-RDTXWAMCSA-N 1 0 382.291 2.653 20 0 GFADRO CS(=O)(=O)Nc1ccc(NC(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)cc1Cl ZINC000415201554 563762184 /nfs/dbraw/zinc/76/21/84/563762184.db2.gz LPMGNWDSXWLOSR-HAQNSBGRSA-N 1 0 388.921 2.598 20 0 GFADRO CC[NH2+]Cc1ccccc1NC(=O)C(=O)NCc1ccsc1Br ZINC000415199351 563762461 /nfs/dbraw/zinc/76/24/61/563762461.db2.gz AAPRFCLMGSSNRE-UHFFFAOYSA-N 1 0 396.310 2.875 20 0 GFADRO CC1(C)[C@@H]2OCCC[C@H]2[C@@]1([NH3+])C(=O)NCc1cc(F)cc(Br)c1 ZINC000364722243 563762497 /nfs/dbraw/zinc/76/24/97/563762497.db2.gz FDPJBTZPQXIARB-CKEIUWERSA-N 1 0 385.277 2.737 20 0 GFADRO COC[C@]1(CNC(=O)Nc2c(F)cc(Br)cc2F)CCC[NH2+]1 ZINC000415206729 563762600 /nfs/dbraw/zinc/76/26/00/563762600.db2.gz CPXRLRQMTNICNM-CQSZACIVSA-N 1 0 378.217 2.617 20 0 GFADRO C[C@@H](C[NH3+])CNC(=O)c1nn(-c2ccc(Br)cc2)c2c1CCCC2 ZINC000441604694 563763194 /nfs/dbraw/zinc/76/31/94/563763194.db2.gz OTOKYTDLIGLNCU-LBPRGKRZSA-N 1 0 391.313 2.838 20 0 GFADRO C[C@@](C[NH3+])(NC(=O)Nc1cc(F)c(F)cc1I)C1CC1 ZINC000415243174 563763788 /nfs/dbraw/zinc/76/37/88/563763788.db2.gz VNBWNIOQTVMLCS-ZDUSSCGKSA-N 1 0 395.191 2.818 20 0 GFADRO C[C@@]1(CNC(=O)Nc2ccc(F)cc2I)CCC[NH2+]C1 ZINC000415248059 563763650 /nfs/dbraw/zinc/76/36/50/563763650.db2.gz GEADLYIKYLIBMX-CQSZACIVSA-N 1 0 391.228 2.942 20 0 GFADRO [NH3+][C@@H]1CCC[C@H](NC(=O)Nc2ccc(F)cc2I)C1 ZINC000415250093 563763759 /nfs/dbraw/zinc/76/37/59/563763759.db2.gz KXQMPSMHWOAVPG-ZJUUUORDSA-N 1 0 377.201 2.822 20 0 GFADRO CN(C(=O)c1ccc(NC(=O)[C@@H]2CC2(Cl)Cl)cc1)[C@@H]1CCC[N@H+](C)C1 ZINC000364794857 563763772 /nfs/dbraw/zinc/76/37/72/563763772.db2.gz NHWMRBPIYJQWTO-CABCVRRESA-N 1 0 384.307 2.985 20 0 GFADRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)Nc1ccc(F)cc1I ZINC000415255937 563764232 /nfs/dbraw/zinc/76/42/32/563764232.db2.gz VXXCOXFYGKKMHB-QPUJVOFHSA-N 1 0 377.201 2.550 20 0 GFADRO [NH3+]C1(CNC(=O)C(=O)Nc2ccc(Cl)cc2OC(F)F)CCCCC1 ZINC000415275313 563764600 /nfs/dbraw/zinc/76/46/00/563764600.db2.gz AKFGYKZGKLCQMD-UHFFFAOYSA-N 1 0 375.803 2.658 20 0 GFADRO CCc1ccccc1[C@H]([NH3+])CNC(=O)Nc1cc(Br)c(=O)n(C)c1 ZINC000415269475 563764845 /nfs/dbraw/zinc/76/48/45/563764845.db2.gz MLGQVSYQARTGFX-OAHLLOKOSA-N 1 0 393.285 2.532 20 0 GFADRO [NH3+]C[C@@H](NC(=O)Nc1cc(I)ccc1Cl)C1CC1 ZINC000415275105 563764988 /nfs/dbraw/zinc/76/49/88/563764988.db2.gz YCTLWWGAIIGPDT-LLVKDONJSA-N 1 0 379.629 2.803 20 0 GFADRO C[NH+](C)CC1CCC(NS(=O)(=O)c2ccc(F)c(Br)c2)CC1 ZINC000441868036 563764944 /nfs/dbraw/zinc/76/49/44/563764944.db2.gz ICBDBTLKAZBMFJ-UHFFFAOYSA-N 1 0 393.322 2.987 20 0 GFADRO C[NH2+]C[C@H]1CCCN(C(=O)C(=O)Nc2cc(Cl)ccc2C(F)(F)F)C1 ZINC000415279879 563765214 /nfs/dbraw/zinc/76/52/14/563765214.db2.gz IDIGQZQTHKABOU-SNVBAGLBSA-N 1 0 377.794 2.755 20 0 GFADRO [NH3+]C1CCN(C(=O)C(=O)Nc2cc(Cl)ccc2SCC(F)(F)F)CC1 ZINC000415287628 563765345 /nfs/dbraw/zinc/76/53/45/563765345.db2.gz UXWMPUJASGODIG-UHFFFAOYSA-N 1 0 395.834 2.883 20 0 GFADRO COC(=O)c1ccc(S(=O)(=O)NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)cc1Cl ZINC000441967432 563766319 /nfs/dbraw/zinc/76/63/19/563766319.db2.gz GLSHXTPLIZEQRE-QWHCGFSZSA-N 1 0 388.917 2.525 20 0 GFADRO C[C@@H](CC[NH3+])NC(=O)Nc1cccc(Oc2ncc(Br)cn2)c1 ZINC000415298642 563766320 /nfs/dbraw/zinc/76/63/20/563766320.db2.gz GYKYIWFDKAGCGT-JTQLQIEISA-N 1 0 380.246 2.890 20 0 GFADRO CCOC(=O)c1c(NC(=O)N[C@H]2CC[NH2+][C@H](C)C2)sc2c1CCSC2 ZINC000415335306 563767390 /nfs/dbraw/zinc/76/73/90/563767390.db2.gz LHAQADXGMCCFNU-MNOVXSKESA-N 1 0 383.539 2.976 20 0 GFADRO COC(=O)c1cc(Br)ccc1NC(=O)N1CC[C@@H](C)C[C@@H]1C[NH3+] ZINC000415334366 563767445 /nfs/dbraw/zinc/76/74/45/563767445.db2.gz PSZGEDXRCRBJCQ-ZYHUDNBSSA-N 1 0 384.274 2.827 20 0 GFADRO COC(=O)C[C@H](NC(=O)CC[C@@H]1CCC[NH2+]1)c1ccc(Br)cc1 ZINC000291980603 563767442 /nfs/dbraw/zinc/76/74/42/563767442.db2.gz YTMZMSLOOWVAJL-GJZGRUSLSA-N 1 0 383.286 2.702 20 0 GFADRO COC(=O)c1cc(Br)ccc1NC(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000415332105 563767548 /nfs/dbraw/zinc/76/75/48/563767548.db2.gz NEUDPSDCOSAOBB-GHMZBOCLSA-N 1 0 384.274 2.684 20 0 GFADRO O=C(Nc1ccc(Br)c(Cl)c1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000415332408 563767557 /nfs/dbraw/zinc/76/75/57/563767557.db2.gz URAMKCBZTBLJQV-LBPRGKRZSA-N 1 0 387.709 2.614 20 0 GFADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CNc2cc(Cl)cc(F)c2F)C1 ZINC000442126646 563768761 /nfs/dbraw/zinc/76/87/61/563768761.db2.gz KBVUEUKVYBJASG-ZDUSSCGKSA-N 1 0 375.847 2.503 20 0 GFADRO C[C@H](NC(=O)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[C@H]1CCC[NH2+]C1 ZINC000415346234 563768820 /nfs/dbraw/zinc/76/88/20/563768820.db2.gz GVGPSZLVESGIIS-UWVGGRQHSA-N 1 0 377.794 2.802 20 0 GFADRO C[C@H](CO)[N@@H+]1CCCN(C(=O)c2cc3c(cc(Br)cc3F)[nH]2)CC1 ZINC000364932054 563768868 /nfs/dbraw/zinc/76/88/68/563768868.db2.gz IRXFQRPGTNFXPP-LLVKDONJSA-N 1 0 398.276 2.598 20 0 GFADRO CCOC(=O)c1cc(Br)ccc1NC(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000415349842 563768869 /nfs/dbraw/zinc/76/88/69/563768869.db2.gz MGAWQLIOAXFYJH-QGZVFWFLSA-N 1 0 396.285 2.843 20 0 GFADRO CCOC(=O)c1c(NC(=O)N[C@@H]2CC[NH2+]C[C@H]2C)sc2c1CCSC2 ZINC000415345232 563768889 /nfs/dbraw/zinc/76/88/89/563768889.db2.gz YGDFFCFJWNFBLX-ZYHUDNBSSA-N 1 0 383.539 2.834 20 0 GFADRO C[C@@H](CO)[N@@H+]1CCCN(C(=O)Nc2cc(F)c(Br)cc2F)CC1 ZINC000364937268 563769232 /nfs/dbraw/zinc/76/92/32/563769232.db2.gz PZORINOECYSYNM-JTQLQIEISA-N 1 0 392.244 2.648 20 0 GFADRO Cc1nn(C)c(NC(=O)N(C)[C@H](C)C[NH3+])c1-c1ccc(Br)cc1 ZINC000415360518 563770606 /nfs/dbraw/zinc/77/06/06/563770606.db2.gz MFZCNHHIIJDFOC-SNVBAGLBSA-N 1 0 380.290 2.969 20 0 GFADRO C[NH2+][C@H]1CCCN(C(=O)C(=O)Nc2cccc(Cl)c2SCC(F)F)C1 ZINC000415381672 563771139 /nfs/dbraw/zinc/77/11/39/563771139.db2.gz VBUSZYIZPRQNHY-JTQLQIEISA-N 1 0 391.871 2.846 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)C(=O)N1CCC([C@@H](C)[NH3+])CC1 ZINC000415374576 563771328 /nfs/dbraw/zinc/77/13/28/563771328.db2.gz DKCMFNCTCZHKNX-LLVKDONJSA-N 1 0 382.302 2.536 20 0 GFADRO CC1(C)[NH2+]CC[C@@H]1NC(=O)Nc1cccc(F)c1I ZINC000415367759 563771363 /nfs/dbraw/zinc/77/13/63/563771363.db2.gz YTRKQCDAJUUYKU-JTQLQIEISA-N 1 0 377.201 2.692 20 0 GFADRO Cc1cc(F)c(NC(=O)N2C[C@H](C)[NH2+]C[C@@H]2C)c(I)c1 ZINC000415388055 563771752 /nfs/dbraw/zinc/77/17/52/563771752.db2.gz HOMVJGLYTNPQJG-UWVGGRQHSA-N 1 0 391.228 2.953 20 0 GFADRO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(Br)cc2C(C)C)C1 ZINC000415390331 563772038 /nfs/dbraw/zinc/77/20/38/563772038.db2.gz GCTIWEQCWZTVNV-LBPRGKRZSA-N 1 0 382.302 2.579 20 0 GFADRO CCCN(C(=O)C(=O)Nc1c(C)cc(Br)cc1C)[C@@H]1CC[NH2+]C1 ZINC000415387384 563772050 /nfs/dbraw/zinc/77/20/50/563772050.db2.gz GXOINTWERHWMNN-CQSZACIVSA-N 1 0 382.302 2.605 20 0 GFADRO Cc1cc(F)c(NC(=O)N2CC[C@@H]([NH3+])[C@H](C)C2)c(I)c1 ZINC000415395565 563772760 /nfs/dbraw/zinc/77/27/60/563772760.db2.gz SRWZPHAGZBIQDE-BXKDBHETSA-N 1 0 391.228 2.940 20 0 GFADRO COc1cc(NC(=O)NCC[C@@H]2CCC[NH2+]C2)cc(OC)c1Br ZINC000415405698 563773050 /nfs/dbraw/zinc/77/30/50/563773050.db2.gz CWYTVMSLICYUJJ-NSHDSACASA-N 1 0 386.290 2.978 20 0 GFADRO Cc1cc(S(=O)(=O)N2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)sc1Cl ZINC000365084051 563773107 /nfs/dbraw/zinc/77/31/07/563773107.db2.gz NOYYPGYHIWDHAT-RWMBFGLXSA-N 1 0 378.947 2.582 20 0 GFADRO CCN(CC)S(=O)(=O)c1cc(C(=O)N[C@H](C)CCCC[NH3+])ccc1Cl ZINC000292115995 563774749 /nfs/dbraw/zinc/77/47/49/563774749.db2.gz PXOFFWQOIPGQCS-CYBMUJFWSA-N 1 0 389.949 2.618 20 0 GFADRO OC[C@@H]1CCCC[N@H+](Cc2ccc(Br)cc2N2CCOCC2)C1 ZINC000365123699 563774818 /nfs/dbraw/zinc/77/48/18/563774818.db2.gz HVYOTLRGHGEAGU-OAHLLOKOSA-N 1 0 383.330 2.880 20 0 GFADRO Cc1nc2cc(Cl)c(NC(=O)C(=O)N3CCC[C@@H]([C@@H](C)[NH3+])C3)cc2s1 ZINC000415429812 563775150 /nfs/dbraw/zinc/77/51/50/563775150.db2.gz DXJADDDXPWTXIX-MWLCHTKSSA-N 1 0 380.901 2.782 20 0 GFADRO Cc1cc(NC(=O)C(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)cc(C)c1Br ZINC000415436378 563775607 /nfs/dbraw/zinc/77/56/07/563775607.db2.gz JYUWGYJRSHGOAH-STQMWFEESA-N 1 0 382.302 2.590 20 0 GFADRO Cc1cc(Cl)cc(NC(=O)C(=O)N2CC[C@H]([NH3+])[C@@H](C)C2)c1Br ZINC000415442463 563776199 /nfs/dbraw/zinc/77/61/99/563776199.db2.gz NLGBFHIAQAEZDI-ONGXEEELSA-N 1 0 388.693 2.545 20 0 GFADRO C[C@@H]1CN(C(=O)C(=O)Nc2cccnc2-c2ccc(Cl)s2)CC[C@H]1[NH3+] ZINC000415448460 563776250 /nfs/dbraw/zinc/77/62/50/563776250.db2.gz QNRPMUCRCBKENP-GHMZBOCLSA-N 1 0 378.885 2.598 20 0 GFADRO CSc1ccc(Cl)cc1NC(=O)C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000415441059 563776404 /nfs/dbraw/zinc/77/64/04/563776404.db2.gz ABFWDBBDGNZXIA-UHFFFAOYSA-N 1 0 381.929 2.991 20 0 GFADRO O=C(NCCCC[N@H+]1CCC[C@@H]1CO)c1cn2cc(Cl)cc(Cl)c2n1 ZINC000442649344 563776730 /nfs/dbraw/zinc/77/67/30/563776730.db2.gz NZMJCWNQKPQHCR-CYBMUJFWSA-N 1 0 385.295 2.608 20 0 GFADRO CC(C)C[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2cnccc2C(F)(F)F)C1 ZINC000442741076 563777258 /nfs/dbraw/zinc/77/72/58/563777258.db2.gz WLROVULDNUAHLN-ZDUSSCGKSA-N 1 0 379.448 2.747 20 0 GFADRO CCOCCOc1ccc(Br)cc1NC(=O)NC[C@@H]1CCC[NH2+]1 ZINC000415469279 563777727 /nfs/dbraw/zinc/77/77/27/563777727.db2.gz WJTXGPVVUJRULA-ZDUSSCGKSA-N 1 0 386.290 2.738 20 0 GFADRO COC(=O)c1cc(Br)c(F)cc1NC(=O)N[C@@H](C)CCC[NH3+] ZINC000415471108 563777747 /nfs/dbraw/zinc/77/77/47/563777747.db2.gz PLYKZVQVVJPILN-QMMMGPOBSA-N 1 0 376.226 2.624 20 0 GFADRO COC(=O)c1cc(Br)c(F)cc1NC(=O)N(C)C1CC[NH2+]CC1 ZINC000415468560 563777763 /nfs/dbraw/zinc/77/77/63/563777763.db2.gz KCURFTGCZOOTHF-UHFFFAOYSA-N 1 0 388.237 2.591 20 0 GFADRO CC1(CNC(=O)Nc2cc(Br)cnc2-n2cccn2)CC[NH2+]CC1 ZINC000415479987 563778268 /nfs/dbraw/zinc/77/82/68/563778268.db2.gz ISBRUZVCINFCFS-UHFFFAOYSA-N 1 0 393.289 2.541 20 0 GFADRO CCCC[C@H](C[NH3+])NC(=O)Nc1cc(Br)cnc1-n1cccn1 ZINC000415486428 563778870 /nfs/dbraw/zinc/77/88/70/563778870.db2.gz QFKIHXJPWXGUOD-GFCCVEGCSA-N 1 0 381.278 2.669 20 0 GFADRO CN(CC(C)(C)C[NH3+])C(=O)C(=O)Nc1ccc(Br)c2ccccc12 ZINC000415485385 563778905 /nfs/dbraw/zinc/77/89/05/563778905.db2.gz PXFLMQNSVXTTLB-UHFFFAOYSA-N 1 0 392.297 2.984 20 0 GFADRO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)Nc1ccc(Br)c2ccccc12 ZINC000415495165 563779795 /nfs/dbraw/zinc/77/97/95/563779795.db2.gz NCFRBOOASHLFRU-GFCCVEGCSA-N 1 0 390.281 2.751 20 0 GFADRO CCCC[C@@H](C[NH3+])NC(=O)C(=O)Nc1cc2c(cc1Br)CCC2 ZINC000415496354 563779824 /nfs/dbraw/zinc/77/98/24/563779824.db2.gz GQBHWMUMQAGRLL-ZDUSSCGKSA-N 1 0 382.302 2.510 20 0 GFADRO C[C@@]1(CNC(=O)Nc2nnc(-c3c(F)cccc3Cl)s2)CCC[NH2+]C1 ZINC000415511531 563780786 /nfs/dbraw/zinc/78/07/86/563780786.db2.gz PLNMPZUYUPFCHQ-MRXNPFEDSA-N 1 0 383.880 3.509 20 0 GFADRO O=C(Nc1nnc(-c2c(F)cccc2Cl)s1)N[C@H]1C[NH2+]CCC1(F)F ZINC000415514039 563780804 /nfs/dbraw/zinc/78/08/04/563780804.db2.gz YTKJGGSUTYCZIA-VIFPVBQESA-N 1 0 391.806 3.116 20 0 GFADRO O=C(c1cc(=O)[nH]c2ccc(Br)cc21)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000365371755 563780913 /nfs/dbraw/zinc/78/09/13/563780913.db2.gz IAMPCGBBSIVMAD-ZUZCIYMTSA-N 1 0 376.254 2.527 20 0 GFADRO Cc1csc(Sc2ccc(NC(=O)C(=O)NC[C@@H](C)C[NH3+])c(C)c2)n1 ZINC000415513417 563780895 /nfs/dbraw/zinc/78/08/95/563780895.db2.gz XKRCICVAKPHECR-JTQLQIEISA-N 1 0 378.523 2.561 20 0 GFADRO Cc1ccc(-c2csc(NC(=O)C(=O)N(C)CC[C@H]([NH3+])C(C)C)n2)s1 ZINC000415509052 563780909 /nfs/dbraw/zinc/78/09/09/563780909.db2.gz VTPMZNASWLLCQN-LBPRGKRZSA-N 1 0 380.539 2.950 20 0 GFADRO C[NH2+]C[C@@H]1CCCN1C(=O)Nc1ccnn1Cc1cccc(Br)c1 ZINC000415526017 563782092 /nfs/dbraw/zinc/78/20/92/563782092.db2.gz IEDCYIKPBXHSDY-HNNXBMFYSA-N 1 0 392.301 2.910 20 0 GFADRO C[C@@H]1CN(C(=O)Nc2ccnn2Cc2cccc(Br)c2)[C@@H](C)C[NH2+]1 ZINC000415527784 563782684 /nfs/dbraw/zinc/78/26/84/563782684.db2.gz OAOADFAXOIJOAS-OLZOCXBDSA-N 1 0 392.301 2.908 20 0 GFADRO CC(C)(C[NH3+])NC(=O)Nc1nc2ccc(I)cc2s1 ZINC000415529694 563783235 /nfs/dbraw/zinc/78/32/35/563783235.db2.gz QBFSPABVQKLFDI-UHFFFAOYSA-N 1 0 390.250 2.760 20 0 GFADRO CCOc1ccc(NC(=O)N[C@@H]2C[NH2+]CCC2(F)F)cc1Br ZINC000415537699 563783671 /nfs/dbraw/zinc/78/36/71/563783671.db2.gz PNYYCWLUSHZGJD-GFCCVEGCSA-N 1 0 378.217 2.967 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)NC[C@@H](C)C[NH+](C)C ZINC000292349481 563783645 /nfs/dbraw/zinc/78/36/45/563783645.db2.gz KWWSNSYONCBRGK-HUUCEWRRSA-N 1 0 386.583 2.665 20 0 GFADRO COC[C@@]1(CNC(=O)Nc2cc(F)cc(F)c2Br)CCC[NH2+]1 ZINC000415567481 563784611 /nfs/dbraw/zinc/78/46/11/563784611.db2.gz QGWDRBOSRLCSCT-AWEZNQCLSA-N 1 0 378.217 2.617 20 0 GFADRO Cc1nc2cc(Cl)c(NC(=O)C(=O)NC[C@]3(C)CCC[NH2+]C3)cc2s1 ZINC000415576251 563785179 /nfs/dbraw/zinc/78/51/79/563785179.db2.gz VWNAFOIBQNYZOX-QGZVFWFLSA-N 1 0 380.901 2.703 20 0 GFADRO C[C@]1(CNC(=O)C(=O)Nc2cc(Cl)cc(Br)c2)CCC[NH2+]C1 ZINC000415573050 563785274 /nfs/dbraw/zinc/78/52/74/563785274.db2.gz PCCVDKBZIKGWEA-HNNXBMFYSA-N 1 0 388.693 2.547 20 0 GFADRO COC(=O)c1cccc(NC(=O)N2CCC[C@@H](CC[NH3+])C2)c1Br ZINC000415604531 563787463 /nfs/dbraw/zinc/78/74/63/563787463.db2.gz FZVDHDDCSUBTJT-NSHDSACASA-N 1 0 384.274 2.828 20 0 GFADRO COC(=O)c1cc(NC(=O)N[C@H]2CC[NH2+][C@@H](C)C2)cc(Br)c1F ZINC000415604615 563787483 /nfs/dbraw/zinc/78/74/83/563787483.db2.gz GEZDUDRMERIFGZ-IUCAKERBSA-N 1 0 388.237 2.637 20 0 GFADRO COC(=O)c1cccc(NC(=O)NCC[C@H]2CCC[NH2+]C2)c1Br ZINC000415619879 563788834 /nfs/dbraw/zinc/78/88/34/563788834.db2.gz ZZCLNPPCZMFYKS-LLVKDONJSA-N 1 0 384.274 2.747 20 0 GFADRO O=C(NCCC[C@@H]1CCC[NH2+]1)Nc1ccnn1-c1ccc(Br)cn1 ZINC000415629272 563788964 /nfs/dbraw/zinc/78/89/64/563788964.db2.gz BBWRJKGOCHEXBC-ZDUSSCGKSA-N 1 0 393.289 2.684 20 0 GFADRO C[C@@H]([NH2+]Cc1cccc(S(=O)(=O)N(C)C)c1)[C@H]1OCCc2sccc21 ZINC000292495785 563788998 /nfs/dbraw/zinc/78/89/98/563788998.db2.gz UDHCHTDKGPOKJS-FZKQIMNGSA-N 1 0 380.535 2.791 20 0 GFADRO COC(=O)c1cc(Br)cc(C(=O)NC2CC[NH+](CC3CC3)CC2)c1 ZINC000292495788 563789255 /nfs/dbraw/zinc/78/92/55/563789255.db2.gz FJKPOLCECAQARL-UHFFFAOYSA-N 1 0 395.297 2.840 20 0 GFADRO COC(=O)c1cc(F)c(Br)cc1NC(=O)N[C@@H](C[NH3+])C(C)(C)C ZINC000415632986 563789435 /nfs/dbraw/zinc/78/94/35/563789435.db2.gz YTEMFBGHOFHBKL-LBPRGKRZSA-N 1 0 390.253 2.870 20 0 GFADRO [NH3+][C@H]1CCC[C@H](NC(=O)C(=O)Nc2ccc(Br)c3ccccc23)C1 ZINC000415661105 563790723 /nfs/dbraw/zinc/79/07/23/563790723.db2.gz XAXKGDYJPKQXLN-RYUDHWBXSA-N 1 0 390.281 2.927 20 0 GFADRO [NH3+]CC[C@@H]1CCCN(C(=O)C(=O)Nc2cc(Cl)cc(C(F)(F)F)c2)C1 ZINC000415673228 563790837 /nfs/dbraw/zinc/79/08/37/563790837.db2.gz CFFHAHLSYMZWHT-JTQLQIEISA-N 1 0 377.794 2.885 20 0 GFADRO CC1(C)CCC[NH2+][C@H]1CNC(=O)C(=O)Nc1nc(-c2cccs2)cs1 ZINC000415684192 563791357 /nfs/dbraw/zinc/79/13/57/563791357.db2.gz XFTZVZNBOPPKME-ZDUSSCGKSA-N 1 0 378.523 2.705 20 0 GFADRO CNC(=O)c1cccc(NC(=O)N[C@@H](C[NH3+])C2CCCCC2)c1Br ZINC000415704382 563792016 /nfs/dbraw/zinc/79/20/16/563792016.db2.gz HHSYMIVUZYHHIX-AWEZNQCLSA-N 1 0 397.317 2.838 20 0 GFADRO C[C@@H]1CCCN(C(=O)Nc2ccc3nccnc3c2Br)[C@@H]1C[NH3+] ZINC000415706688 563792050 /nfs/dbraw/zinc/79/20/50/563792050.db2.gz MTGRFEBUGXSFQU-ZWNOBZJWSA-N 1 0 378.274 2.983 20 0 GFADRO Cc1cc(NC(=O)C(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)ccc1Br ZINC000415719630 563793399 /nfs/dbraw/zinc/79/33/99/563793399.db2.gz CSDXBNBBSIHRNC-JOCQHMNTSA-N 1 0 382.302 2.577 20 0 GFADRO CS(=O)(=O)N[C@@H]1CCC[C@@H]1C[NH2+]Cc1ccc(Sc2ccccn2)o1 ZINC000292698082 563793432 /nfs/dbraw/zinc/79/34/32/563793432.db2.gz NWKWOYDVXIVIJW-UKRRQHHQSA-N 1 0 381.523 2.633 20 0 GFADRO C[C@H](CCCC[NH3+])NC(=O)C(=O)Nc1cc(Cl)cc(Br)c1 ZINC000415740099 563793985 /nfs/dbraw/zinc/79/39/85/563793985.db2.gz IBODMBCRALOESG-SECBINFHSA-N 1 0 376.682 2.675 20 0 GFADRO O=C(Nc1cc(Cl)ccc1I)N[C@H]1CCC[NH2+]C1 ZINC000415752624 563794632 /nfs/dbraw/zinc/79/46/32/563794632.db2.gz DYUYTJAHWKOUPU-VIFPVBQESA-N 1 0 379.629 2.818 20 0 GFADRO O=C(Nc1cc(Cl)ccc1I)N[C@@H]1CCC[NH2+]C1 ZINC000415752623 563794789 /nfs/dbraw/zinc/79/47/89/563794789.db2.gz DYUYTJAHWKOUPU-SECBINFHSA-N 1 0 379.629 2.818 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)Nc2ccn(-c3ccc(Br)cc3)n2)C1 ZINC000415761772 563794925 /nfs/dbraw/zinc/79/49/25/563794925.db2.gz VDSCVYHKKNATRX-STQMWFEESA-N 1 0 392.301 3.226 20 0 GFADRO CC(C)(CCC[NH3+])NC(=O)C(=O)Nc1cccc(Cl)c1Br ZINC000415762584 563795125 /nfs/dbraw/zinc/79/51/25/563795125.db2.gz PHWUPJVYLVOJOP-UHFFFAOYSA-N 1 0 376.682 2.675 20 0 GFADRO CC(C)(CCC[NH3+])NC(=O)C(=O)Nc1ccc(Br)c2cccnc12 ZINC000415761521 563795235 /nfs/dbraw/zinc/79/52/35/563795235.db2.gz OEWRTVDRBWGUTI-UHFFFAOYSA-N 1 0 393.285 2.570 20 0 GFADRO CC1(CNC(=O)Nc2ccn(-c3ccc(Br)cc3)n2)CC[NH2+]CC1 ZINC000415759906 563795275 /nfs/dbraw/zinc/79/52/75/563795275.db2.gz RHTRBQHPKCMGAO-UHFFFAOYSA-N 1 0 392.301 3.146 20 0 GFADRO O=C(/C=C/c1c(Cl)nc2sccn12)N1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000365862121 563795417 /nfs/dbraw/zinc/79/54/17/563795417.db2.gz DXSWMPLOKBOJDR-YYRQZUAOSA-N 1 0 382.942 2.712 20 0 GFADRO COc1cc(I)ccc1NC(=O)N1C[C@@H](C)[NH2+]C[C@H]1C ZINC000415775986 563796150 /nfs/dbraw/zinc/79/61/50/563796150.db2.gz WACRRMVUAQKIPO-NXEZZACHSA-N 1 0 389.237 2.514 20 0 GFADRO O=C(NCCC[C@@H]1CCC[NH2+]1)C(=O)Nc1ccc(Cl)cc1OC(F)F ZINC000415799553 563796946 /nfs/dbraw/zinc/79/69/46/563796946.db2.gz CPPDGAWKGQBKIJ-NSHDSACASA-N 1 0 375.803 2.528 20 0 GFADRO O=C(NCCC[C@H]1CCC[NH2+]1)C(=O)Nc1ccc(Cl)c(Br)c1 ZINC000415799271 563797091 /nfs/dbraw/zinc/79/70/91/563797091.db2.gz BYNGUCKIUZNMQW-SNVBAGLBSA-N 1 0 388.693 2.689 20 0 GFADRO [NH3+]C[C@H](NC(=O)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C1CCCC1 ZINC000415821023 563798412 /nfs/dbraw/zinc/79/84/12/563798412.db2.gz DWVGYPHSYRLSES-ZDUSSCGKSA-N 1 0 377.794 2.931 20 0 GFADRO [NH3+]C[C@H](NC(=O)C(=O)Nc1ccc(Cl)c(OC(F)F)c1)C1CCCC1 ZINC000415832748 563798764 /nfs/dbraw/zinc/79/87/64/563798764.db2.gz HGIBBUQKPQJNRI-LBPRGKRZSA-N 1 0 375.803 2.514 20 0 GFADRO OC[C@@H]([NH2+]C[C@H](O)COCC(F)(F)F)c1ccc(Cl)cc1C(F)(F)F ZINC000293036651 563798854 /nfs/dbraw/zinc/79/88/54/563798854.db2.gz WSVMVDMOOAIQQP-JOYOIKCWSA-N 1 0 395.727 2.922 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)C(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000415855707 563799597 /nfs/dbraw/zinc/79/95/97/563799597.db2.gz PDHQIJYNFAGZLY-ZIAGYGMSSA-N 1 0 394.313 2.544 20 0 GFADRO CC1(C)C[NH2+][C@H]1C1CCN(C(=O)C(=O)Nc2ccc(Br)cc2)CC1 ZINC000415863424 563799600 /nfs/dbraw/zinc/79/96/00/563799600.db2.gz RNQRLBCYWNVGLR-HNNXBMFYSA-N 1 0 394.313 2.624 20 0 GFADRO O=C(/C=C/c1ccc(Br)s1)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000366199074 563801055 /nfs/dbraw/zinc/80/10/55/563801055.db2.gz GICDWQQWNWJVTG-OHVSUOQFSA-N 1 0 385.327 2.893 20 0 GFADRO [NH3+][C@@H]1CCc2ncc(NC(=O)NCc3ccc(O)c(Br)c3)cc2C1 ZINC000415957607 563801177 /nfs/dbraw/zinc/80/11/77/563801177.db2.gz JZAPYCFFYYDEFN-GFCCVEGCSA-N 1 0 391.269 2.687 20 0 GFADRO COc1ccc(Br)c(CNC(=O)N[C@@H](CC[NH3+])C(F)(F)F)c1 ZINC000415996418 563801944 /nfs/dbraw/zinc/80/19/44/563801944.db2.gz PAMQYCUYYWXURO-NSHDSACASA-N 1 0 384.196 2.537 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2cccc(Br)c2)C[C@H]1C ZINC000443368385 563803438 /nfs/dbraw/zinc/80/34/38/563803438.db2.gz FQAUBOLNNWWFGO-DOMZBBRYSA-N 1 0 382.302 2.719 20 0 GFADRO [NH3+]CC[C@H](NC(=O)N1CCc2ccc(Br)cc2C1)C(F)(F)F ZINC000416040010 563803979 /nfs/dbraw/zinc/80/39/79/563803979.db2.gz HDLPQHIOCXVSHV-LBPRGKRZSA-N 1 0 380.208 2.797 20 0 GFADRO [NH3+]CC[C@H](NC(=O)N[C@@H]1C[C@H]1c1ccc(Br)s1)C(F)(F)F ZINC000416051508 563804328 /nfs/dbraw/zinc/80/43/28/563804328.db2.gz SZBWFXBETOGXBE-BHNWBGBOSA-N 1 0 386.237 2.945 20 0 GFADRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1nn(C)cc1Br ZINC000293311452 563807826 /nfs/dbraw/zinc/80/78/26/563807826.db2.gz ITBNUKCXQKYZGV-XJKSGUPXSA-N 1 0 391.313 2.823 20 0 GFADRO CCc1ncsc1NC(=O)C(=O)NC[C@H]1CC[N@H+](C)[C@@H]1c1cccs1 ZINC000366455126 563808894 /nfs/dbraw/zinc/80/88/94/563808894.db2.gz YNAMMRQPDGNUEU-RISCZKNCSA-N 1 0 378.523 2.515 20 0 GFADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccn(-c4ccc(Br)cc4)n3)[C@H]2C1 ZINC000293365034 563809243 /nfs/dbraw/zinc/80/92/43/563809243.db2.gz CYTLMLBAVLVRPL-DYVFJYSZSA-N 1 0 389.297 2.801 20 0 GFADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccn(-c4ccc(Br)cc4)n3)[C@@H]2C1 ZINC000293365032 563809495 /nfs/dbraw/zinc/80/94/95/563809495.db2.gz CYTLMLBAVLVRPL-CXAGYDPISA-N 1 0 389.297 2.801 20 0 GFADRO O=C(Cc1cc(Cl)c(Br)cc1F)NCC[N@@H+]1CCCOCC1 ZINC000416213516 563810721 /nfs/dbraw/zinc/81/07/21/563810721.db2.gz HLHKHLSPNWCNAD-UHFFFAOYSA-N 1 0 393.684 2.623 20 0 GFADRO C[C@H]1C[C@H](NS(=O)(=O)c2ccc(Br)c(Cl)c2)CC[N@@H+]1C ZINC000443769323 563811926 /nfs/dbraw/zinc/81/19/26/563811926.db2.gz BFNAKTVUGIGUPN-VHSXEESVSA-N 1 0 381.723 2.864 20 0 GFADRO Cn1cc(S(=O)(=O)N(c2cccc(F)c2)C2CC[NH+](C)CC2)nc1Cl ZINC000366509720 563812174 /nfs/dbraw/zinc/81/21/74/563812174.db2.gz CTVSRFNRULYOGU-UHFFFAOYSA-N 1 0 386.880 2.502 20 0 GFADRO C[C@@](O)(C[NH+]1CCC(C(N)=O)CC1)c1ccc(Br)cc1Cl ZINC000293419847 563812381 /nfs/dbraw/zinc/81/23/81/563812381.db2.gz IPZLJNOYWZIGAB-OAHLLOKOSA-N 1 0 375.694 2.507 20 0 GFADRO O=C(c1ccc(Br)c(F)c1)N1CC[C@@H](OCC[NH+]2CCCC2)C1 ZINC000443869081 563813110 /nfs/dbraw/zinc/81/31/10/563813110.db2.gz OSPRPHCQPQJJPM-CQSZACIVSA-N 1 0 385.277 2.915 20 0 GFADRO O=C(CC[NH+]1CCC2(CCOC2=O)CC1)Nc1cccc(Br)c1 ZINC000366666986 563816721 /nfs/dbraw/zinc/81/67/21/563816721.db2.gz NEJVSGGFBUDRFH-UHFFFAOYSA-N 1 0 381.270 2.807 20 0 GFADRO O=C([C@@H]1CC[C@H]([NH2+]Cc2cnc3ccc(Br)cn23)C1)N1CCCC1 ZINC000366660675 563816769 /nfs/dbraw/zinc/81/67/69/563816769.db2.gz ANWCPECTFPERON-HIFRSBDPSA-N 1 0 391.313 2.978 20 0 GFADRO CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H](C)CCCC[NH3+])c1 ZINC000293525058 563817400 /nfs/dbraw/zinc/81/74/00/563817400.db2.gz UORDLHKQCVOSSY-CYBMUJFWSA-N 1 0 389.949 2.618 20 0 GFADRO COc1cc(OC)c(S(=O)(=O)NC[C@@H](C)[N@@H+]2CCCC[C@H]2C)cc1Cl ZINC000416365881 563817661 /nfs/dbraw/zinc/81/76/61/563817661.db2.gz BLEKFWZXIXZXNQ-CHWSQXEVSA-N 1 0 390.933 2.898 20 0 GFADRO CN1CC[C@H]([NH2+]C2(Cc3ccc(F)cc3Br)CCOCC2)C1=O ZINC000293547517 563818041 /nfs/dbraw/zinc/81/80/41/563818041.db2.gz KUQHXAGAGDHDCJ-HNNXBMFYSA-N 1 0 385.277 2.500 20 0 GFADRO O=C(N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1)C1(c2cncc(Br)c2)CC1 ZINC000366841130 563821474 /nfs/dbraw/zinc/82/14/74/563821474.db2.gz HCGQVSRPNOEYIC-RRQGHBQHSA-N 1 0 390.325 2.818 20 0 GFADRO Cc1nn(C)c(S(=O)(=O)NCCCCC[NH+]2CCCCC2)c1C(F)F ZINC000416393911 563822714 /nfs/dbraw/zinc/82/27/14/563822714.db2.gz WBIBKVQSVYGECK-UHFFFAOYSA-N 1 0 378.489 2.601 20 0 GFADRO CC[N@H+](CCNS(=O)(=O)c1cc(Br)c(F)cc1F)C(C)C ZINC000444166550 563823425 /nfs/dbraw/zinc/82/34/25/563823425.db2.gz KSUKWBXVPQIMJL-UHFFFAOYSA-N 1 0 385.274 2.736 20 0 GFADRO Nc1nccc([C@@H]2CCC[N@H+](C[C@@H](O)c3cccc(Br)c3)C2)n1 ZINC000366984016 563826956 /nfs/dbraw/zinc/82/69/56/563826956.db2.gz UDJZYSSNMFYBLH-CZUORRHYSA-N 1 0 377.286 2.734 20 0 GFADRO O=C(NCC1CC[NH+](CCO)CC1)c1ccc(Br)c(Cl)c1F ZINC000444304650 563827559 /nfs/dbraw/zinc/82/75/59/563827559.db2.gz QAZXFFCQNDARGX-UHFFFAOYSA-N 1 0 393.684 2.676 20 0 GFADRO CN(Cc1ncc(I)s1)C[C@@H](O)Cc1ccccc1 ZINC000294028278 563830015 /nfs/dbraw/zinc/83/00/15/563830015.db2.gz VLIWTQICASBSJA-LBPRGKRZSA-N 1 0 388.274 2.783 20 0 GFADRO CC[N@@H+]1CCCN(C(=O)c2ccn(-c3ccc(Br)cc3)n2)CC1 ZINC000294058714 563831102 /nfs/dbraw/zinc/83/11/02/563831102.db2.gz JXRSJYSLCNXQQE-UHFFFAOYSA-N 1 0 377.286 2.803 20 0 GFADRO COc1cc(OC)c(S(=O)(=O)N[C@H]2CCC[N@@H+](C(C)C)C2)cc1Cl ZINC000416465612 563833164 /nfs/dbraw/zinc/83/31/64/563833164.db2.gz MGMPHEMFPBWIPE-LBPRGKRZSA-N 1 0 376.906 2.508 20 0 GFADRO COc1nc(C)c(Br)cc1C(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000294186807 563833231 /nfs/dbraw/zinc/83/32/31/563833231.db2.gz PFZXCDZKXLNYMU-KRWDZBQOSA-N 1 0 382.302 2.719 20 0 GFADRO C[C@@H]1CN(C(=O)c2cc(F)c(F)cc2Br)CC[N@@H+]1CC(C)(C)O ZINC000444552963 563833304 /nfs/dbraw/zinc/83/33/04/563833304.db2.gz QCFPWXVYTJHIKC-SNVBAGLBSA-N 1 0 391.256 2.645 20 0 GFADRO C[N@@H+]1CCC[C@@H](N2CCN(Cc3nc4cc(Br)ccc4o3)CC2)C1 ZINC000367153473 563833840 /nfs/dbraw/zinc/83/38/40/563833840.db2.gz ZDLRKJMQVASQFB-OAHLLOKOSA-N 1 0 393.329 2.802 20 0 GFADRO CCN(CCC[NH+]1CCCC1)S(=O)(=O)c1cc(Cl)c(OC)cc1OC ZINC000416471800 563834379 /nfs/dbraw/zinc/83/43/79/563834379.db2.gz RDCAMKDLIVKARC-UHFFFAOYSA-N 1 0 390.933 2.854 20 0 GFADRO CSc1ccc([C@H](CNC(=O)c2nn(C)cc2Br)[NH+](C)C)cc1 ZINC000294230588 563835513 /nfs/dbraw/zinc/83/55/13/563835513.db2.gz DLFXSLDITOHYQH-AWEZNQCLSA-N 1 0 397.342 2.937 20 0 GFADRO CCC[C@]1(CO)CCC[N@@H+]1C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000444786563 563836332 /nfs/dbraw/zinc/83/63/32/563836332.db2.gz ULJSHWWUERNISE-NVXWUHKLSA-N 1 0 390.293 2.955 20 0 GFADRO CCO[C@@H]1C[C@@](CO)([NH2+]Cc2ccc(I)cc2)C1(C)C ZINC000444799575 563837579 /nfs/dbraw/zinc/83/75/79/563837579.db2.gz HZKUUYMEVKHKDL-ZBFHGGJFSA-N 1 0 389.277 2.947 20 0 GFADRO CC[C@H]1Cc2c(Br)cccc2CN1C(=O)NCC[N@H+](C)CCOC ZINC000445028641 563841860 /nfs/dbraw/zinc/84/18/60/563841860.db2.gz DDYGBWGCGAVNCF-HNNXBMFYSA-N 1 0 398.345 2.874 20 0 GFADRO O=C(Nc1cnc2c(c1)C[NH2+]CC2)c1ccc(I)c(F)c1 ZINC000367384217 563842920 /nfs/dbraw/zinc/84/29/20/563842920.db2.gz MGBWHAVNIZODTG-UHFFFAOYSA-N 1 0 397.191 2.723 20 0 GFADRO CNC(=O)CN1CCCN(CC2=Cc3cc(Cl)cc(Cl)c3OC2)CC1 ZINC000367421769 563843540 /nfs/dbraw/zinc/84/35/40/563843540.db2.gz GDXFGVUTNIUTOY-UHFFFAOYSA-N 1 0 384.307 2.523 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1CN1CCCO[C@@H](C)C1 ZINC000294592180 563847844 /nfs/dbraw/zinc/84/78/44/563847844.db2.gz AAVHQTVAYHPHKJ-STQMWFEESA-N 1 0 385.302 2.573 20 0 GFADRO COCCC[NH+]1CCC(NC(=O)[C@H](O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000294660884 563850112 /nfs/dbraw/zinc/85/01/12/563850112.db2.gz VIBIZQFZZNKQDK-MRXNPFEDSA-N 1 0 375.296 2.644 20 0 GFADRO CC[NH+](CC)CCS(=O)(=O)NCc1cccc(Br)c1Cl ZINC000416577499 563850514 /nfs/dbraw/zinc/85/05/14/563850514.db2.gz IVBZKMNUKDXABE-UHFFFAOYSA-N 1 0 383.739 2.864 20 0 GFADRO O=S(=O)(c1c(Cl)cc(F)cc1Br)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000367802743 563856116 /nfs/dbraw/zinc/85/61/16/563856116.db2.gz VEGZXWVBOGADDV-PRHODGIISA-N 1 0 397.697 2.614 20 0 GFADRO CC(C)(C)CC[NH+]1CCN(C(=O)Cc2cc[nH]c(=O)c2Br)CC1 ZINC000446107480 563858942 /nfs/dbraw/zinc/85/89/42/563858942.db2.gz IBBYGFBBZHZUOS-UHFFFAOYSA-N 1 0 384.318 2.673 20 0 GFADRO O=C1NC[C@H]2CN(Cc3ccc(OC(F)(F)F)c(Br)c3)CC[C@@H]12 ZINC000367926499 563859585 /nfs/dbraw/zinc/85/95/85/563859585.db2.gz ODTFHZLPWXKXIY-WDEREUQCSA-N 1 0 393.203 2.916 20 0 GFADRO COc1ccccc1-c1nnc(CN(C)CCn2cc(Br)cn2)o1 ZINC000367990872 563861560 /nfs/dbraw/zinc/86/15/60/563861560.db2.gz ZQIQVWQCCATUTG-UHFFFAOYSA-N 1 0 392.257 2.836 20 0 GFADRO C[C@H](NC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(Cl)cc1 ZINC000416827613 563862044 /nfs/dbraw/zinc/86/20/44/563862044.db2.gz LFFQRIKARFCWOJ-SMDDNHRTSA-N 1 0 378.826 2.536 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)N1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000416824475 563862056 /nfs/dbraw/zinc/86/20/56/563862056.db2.gz IKJYTEJJXVIHQW-DOMZBBRYSA-N 1 0 397.317 2.607 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)N1C[C@@H](C)[N@H+](CCO)C[C@@H]1C ZINC000416906886 563863073 /nfs/dbraw/zinc/86/30/73/563863073.db2.gz ARULHBDTSUNOPB-OLZOCXBDSA-N 1 0 384.318 2.930 20 0 GFADRO COc1ccc(Br)c(CNC(=O)[C@]2([NH3+])[C@@H]3CCCO[C@@H]3C2(C)C)c1 ZINC000446386811 563863255 /nfs/dbraw/zinc/86/32/55/563863255.db2.gz RWPXQDOVGIVSTB-QIIPPGSGSA-N 1 0 397.313 2.606 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H](NC(=O)[C@H](c2ccc(Cl)cc2Cl)N2CCOCC2)C1 ZINC000446403607 563864078 /nfs/dbraw/zinc/86/40/78/563864078.db2.gz XSKWRRXLNPABEY-CPUCHLNUSA-N 1 0 386.323 2.753 20 0 GFADRO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000446488092 563864401 /nfs/dbraw/zinc/86/44/01/563864401.db2.gz IVSAHYHHJHYLIL-JKSUJKDBSA-N 1 0 394.313 2.545 20 0 GFADRO COCCn1cc2c(n1)[C@@H]([NH2+][C@@H](C)Cn1cc(Br)cn1)CCC2 ZINC000368187204 563866191 /nfs/dbraw/zinc/86/61/91/563866191.db2.gz DLAWRZIZTMCVTI-WFASDCNBSA-N 1 0 382.306 2.544 20 0 GFADRO C[C@H](NC(=O)[C@H](C)[N@@H+]1CC[C@H]2C(=O)NC[C@@H]2C1)c1ccc(Cl)cc1Cl ZINC000368239791 563867479 /nfs/dbraw/zinc/86/74/79/563867479.db2.gz HKJITEOZQXZLKK-UUIJZJDISA-N 1 0 384.307 2.627 20 0 GFADRO O=C(NCC1(c2ccc(Br)cc2)CCC1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000417208628 563873287 /nfs/dbraw/zinc/87/32/87/563873287.db2.gz BGOBRVCQDUAYHU-OKILXGFUSA-N 1 0 378.314 2.732 20 0 GFADRO Cn1cc(C[NH2+]CC2(c3c(Cl)cccc3Cl)CCC2)c(=O)n(C)c1=O ZINC000447069659 563874376 /nfs/dbraw/zinc/87/43/76/563874376.db2.gz SXMFJORPFYPFHA-UHFFFAOYSA-N 1 0 382.291 2.602 20 0 GFADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)c3cc(F)ccc3I)C[C@H]21 ZINC000368589410 563874566 /nfs/dbraw/zinc/87/45/66/563874566.db2.gz IUNHEYKYNOHXIY-QMTHXVAHSA-N 1 0 388.224 2.597 20 0 GFADRO C[C@H](CCc1ccc(Br)cc1)NC(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000417234135 563874843 /nfs/dbraw/zinc/87/48/43/563874843.db2.gz PGZNMJXZSVRLMW-CJNGLKHVSA-N 1 0 384.318 2.529 20 0 GFADRO COC1(CO)CC[NH+](Cc2cnn(-c3ccc(Br)cc3)c2)CC1 ZINC000447094489 563874876 /nfs/dbraw/zinc/87/48/76/563874876.db2.gz SFBRRSDZGYMWPV-UHFFFAOYSA-N 1 0 380.286 2.608 20 0 GFADRO C[C@@H]1[NH2+]CCN(C(=O)NC[C@H]2CCN(c3cccc(Br)c3)C2)[C@H]1C ZINC000417265920 563875724 /nfs/dbraw/zinc/87/57/24/563875724.db2.gz VUECTBMBMPZJNQ-SOUVJXGZSA-N 1 0 395.345 2.667 20 0 GFADRO C[C@@H](CCC[NH3+])NC(=O)NC[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000417262347 563875872 /nfs/dbraw/zinc/87/58/72/563875872.db2.gz NEDHLTVMIBNZCL-KBPBESRZSA-N 1 0 383.334 2.702 20 0 GFADRO COc1ccc(Cl)cc1CS(=O)(=O)N(CC[NH+](C)C)Cc1ccco1 ZINC000447171456 563875941 /nfs/dbraw/zinc/87/59/41/563875941.db2.gz HOKJDEHMLDVFHY-UHFFFAOYSA-N 1 0 386.901 2.835 20 0 GFADRO Cc1sc(Br)cc1S(=O)(=O)NCC[N@H+]1CCCC[C@@H]1C ZINC000447197650 563876978 /nfs/dbraw/zinc/87/69/78/563876978.db2.gz CFOHXZQCOIEVSA-JTQLQIEISA-N 1 0 381.361 2.972 20 0 GFADRO [NH3+][C@H]1CCC[C@H](CNC(=O)NCc2cc(Br)c3c(c2)OCCO3)C1 ZINC000417299044 563877784 /nfs/dbraw/zinc/87/77/84/563877784.db2.gz LVDYPZKWNZAPLN-AAEUAGOBSA-N 1 0 398.301 2.537 20 0 GFADRO [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NS(=O)(=O)c1ccc(F)c(Br)c1 ZINC000447247235 563877979 /nfs/dbraw/zinc/87/79/79/563877979.db2.gz INEUHISZZCURHH-SWKMLJDHSA-N 1 0 391.306 2.773 20 0 GFADRO CO[C@H]1CCN(C(=O)NCCCOc2ccc(Cl)cc2Cl)[C@@H](C[NH3+])C1 ZINC000417334859 563877995 /nfs/dbraw/zinc/87/79/95/563877995.db2.gz RVQQLVYKKBRMJA-KGLIPLIRSA-N 1 0 390.311 2.910 20 0 GFADRO Cc1cc(Br)c(S(=O)(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)s1 ZINC000447253531 563878465 /nfs/dbraw/zinc/87/84/65/563878465.db2.gz ZDOPZOGPHMZLPP-UMNHJUIQSA-N 1 0 379.345 2.567 20 0 GFADRO COc1ccc(C[NH2+]C2CCN(S(=O)(=O)c3cccs3)CC2)cc1F ZINC000368788437 563878874 /nfs/dbraw/zinc/87/88/74/563878874.db2.gz SKRWQHDYZQEKRK-UHFFFAOYSA-N 1 0 384.498 2.839 20 0 GFADRO COc1cc(CNC(=O)N(C)CC(C)(C)C[NH3+])cc(Br)c1OC ZINC000417374862 563878827 /nfs/dbraw/zinc/87/88/27/563878827.db2.gz LIZXWCISLBYOSA-UHFFFAOYSA-N 1 0 388.306 2.593 20 0 GFADRO COC[C@@H](C)OC[C@H](O)C[N@H+]1CC=C(c2cccc(Br)c2)CC1 ZINC000447295824 563879577 /nfs/dbraw/zinc/87/95/77/563879577.db2.gz MNZYQLKYDUPMAQ-RDTXWAMCSA-N 1 0 384.314 2.951 20 0 GFADRO CC(C)[C@H]([NH3+])CNC(=O)NCC1(c2ccc(Br)cc2)CCOCC1 ZINC000417430080 563880259 /nfs/dbraw/zinc/88/02/59/563880259.db2.gz OKNANFJAKJXKSI-MRXNPFEDSA-N 1 0 398.345 2.780 20 0 GFADRO COc1ccc(CNC(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1Br ZINC000368869794 563880397 /nfs/dbraw/zinc/88/03/97/563880397.db2.gz TWBNUBPDHLMMCJ-KBPBESRZSA-N 1 0 382.302 2.884 20 0 GFADRO O=C(N[C@H]1CCN(c2ccc(Br)cc2)C1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000417477685 563880630 /nfs/dbraw/zinc/88/06/30/563880630.db2.gz GWJSXJDKKPIQCE-YOEHRIQHSA-N 1 0 393.329 2.564 20 0 GFADRO C[NH2+]C[C@H]1CCCN(C(=O)N[C@@H]2CCN(c3ccc(Br)cc3)C2)C1 ZINC000417475481 563880688 /nfs/dbraw/zinc/88/06/88/563880688.db2.gz BGSIAMGKBKNZFL-GDBMZVCRSA-N 1 0 395.345 2.669 20 0 GFADRO COCC[C@]1([NH2+]Cc2cc3c(cc2Br)OCCCO3)CCOC1 ZINC000447380388 563881323 /nfs/dbraw/zinc/88/13/23/563881323.db2.gz FGWWKTUHVXTASA-KRWDZBQOSA-N 1 0 386.286 2.896 20 0 GFADRO O=C(C[C@H]1Sc2ccc(Cl)cc2NC1=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000368926090 563882438 /nfs/dbraw/zinc/88/24/38/563882438.db2.gz MVHNZFAKAVXSHT-XJKSGUPXSA-N 1 0 379.913 2.840 20 0 GFADRO C[C@@H](CO)[N@@H+]1CCCN(C(=O)[C@H](C)c2ccc(Br)s2)CC1 ZINC000368975866 563883526 /nfs/dbraw/zinc/88/35/26/563883526.db2.gz SOAQSVOONHPBCB-NWDGAFQWSA-N 1 0 375.332 2.529 20 0 GFADRO [NH3+]CC[C@@H]1CCCN(C(=O)N[C@H]2CCN(c3ccccc3Br)C2)C1 ZINC000417592026 563885466 /nfs/dbraw/zinc/88/54/66/563885466.db2.gz DXPXVUIAUJOPNT-GJZGRUSLSA-N 1 0 395.345 2.798 20 0 GFADRO O=C(c1cnn(-c2cccc(Br)c2)c1)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000369061928 563885539 /nfs/dbraw/zinc/88/55/39/563885539.db2.gz GDJSNEGFNJONNQ-KRWDZBQOSA-N 1 0 389.297 2.945 20 0 GFADRO [NH3+][C@@H]1CCC[C@H](CNC(=O)N[C@H]2CCN(c3ccccc3Br)C2)C1 ZINC000417593165 563885525 /nfs/dbraw/zinc/88/55/25/563885525.db2.gz FUYNGBDXNITGFM-ZNMIVQPWSA-N 1 0 395.345 2.845 20 0 GFADRO [NH3+]CC[C@H](NC(=O)NCC1(c2cccc(Br)c2)CC1)C(F)F ZINC000417658272 563886706 /nfs/dbraw/zinc/88/67/06/563886706.db2.gz JCJXTOCLOGGHCK-LBPRGKRZSA-N 1 0 376.245 2.762 20 0 GFADRO CC[C@@H](NC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(Cl)s1 ZINC000417647395 563887002 /nfs/dbraw/zinc/88/70/02/563887002.db2.gz LIZMSUKBFUTHRO-PWSUYJOCSA-N 1 0 398.882 2.988 20 0 GFADRO C[NH2+]C[C@@H]1CCCN1C(=O)NCCOc1ncc(C(F)(F)F)cc1Cl ZINC000417732307 563887986 /nfs/dbraw/zinc/88/79/86/563887986.db2.gz HEWWEKZLCHBGCS-NSHDSACASA-N 1 0 380.798 2.526 20 0 GFADRO C[C@@H]1CN(C(=O)NCCOc2ncc(C(F)(F)F)cc2Cl)CC[C@@H]1[NH3+] ZINC000417738335 563888079 /nfs/dbraw/zinc/88/80/79/563888079.db2.gz OYBNPSOPJNOERE-SKDRFNHKSA-N 1 0 380.798 2.511 20 0 GFADRO CCC[NH+]1CCN(C2CCN(C(=O)c3coc(Br)c3)CC2)CC1 ZINC000369155346 563888083 /nfs/dbraw/zinc/88/80/83/563888083.db2.gz DALCUULVRLYPCM-UHFFFAOYSA-N 1 0 384.318 2.674 20 0 GFADRO C[C@@H](CNC(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2)Oc1cccc(Br)c1 ZINC000417785477 563889328 /nfs/dbraw/zinc/88/93/28/563889328.db2.gz CZAIEUWVYUEUDK-CFVMTHIKSA-N 1 0 382.302 2.752 20 0 GFADRO CCCN(C(=O)NC[C@@H](C)Oc1ccc(Br)cc1)[C@@H]1CC[NH2+]C1 ZINC000417775144 563889446 /nfs/dbraw/zinc/88/94/46/563889446.db2.gz MLXCNLONJXANHM-UKRRQHHQSA-N 1 0 384.318 3.000 20 0 GFADRO C[C@H]([NH3+])[C@H](C)NC(=O)N[C@@H](C)c1nc(-c2ccc(Br)cc2)no1 ZINC000417879006 563890548 /nfs/dbraw/zinc/89/05/48/563890548.db2.gz AYKCMKLOQKOUSU-GUBZILKMSA-N 1 0 382.262 2.595 20 0 GFADRO C[NH2+]C[C@@H](C)CNC(=O)N[C@H](C)c1nc(-c2ccc(Br)cc2)no1 ZINC000417892920 563890905 /nfs/dbraw/zinc/89/09/05/563890905.db2.gz MHLAZWQGRDKLNW-GHMZBOCLSA-N 1 0 396.289 2.715 20 0 GFADRO C[C@H](Cc1ccc(F)c(Br)c1)NC(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000417891303 563891061 /nfs/dbraw/zinc/89/10/61/563891061.db2.gz BSZQIVHHXFUZMW-XBFCOCLRSA-N 1 0 384.293 2.770 20 0 GFADRO C[C@H](Cc1cc(Br)ccc1F)NC(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000417950009 563892197 /nfs/dbraw/zinc/89/21/97/563892197.db2.gz WYXWCCKRRBYGJE-MBNYWOFBSA-N 1 0 384.293 2.770 20 0 GFADRO [NH3+]C[C@@H](NC(=O)NCCCOc1ncc(C(F)(F)F)cc1Cl)C1CC1 ZINC000417957249 563892986 /nfs/dbraw/zinc/89/29/86/563892986.db2.gz JGFCLLKZMJDIEU-GFCCVEGCSA-N 1 0 380.798 2.559 20 0 GFADRO [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)NCc1cc(Cl)sc1Cl ZINC000417963545 563893111 /nfs/dbraw/zinc/89/31/11/563893111.db2.gz DPRSRJKQJWSFGD-LLVKDONJSA-N 1 0 393.340 2.584 20 0 GFADRO CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)N1CC[NH2+][C@H](C)[C@H]1C ZINC000417976147 563893776 /nfs/dbraw/zinc/89/37/76/563893776.db2.gz FNDRTMUFORVVFB-IATRGZMQSA-N 1 0 384.318 2.917 20 0 GFADRO COc1cc(Br)ccc1CCCNC(=O)N1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000417993683 563894288 /nfs/dbraw/zinc/89/42/88/563894288.db2.gz AVGVETLHICBBEZ-OCCSQVGLSA-N 1 0 384.318 2.769 20 0 GFADRO COc1cc(Br)ccc1CCCNC(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000418003174 563894574 /nfs/dbraw/zinc/89/45/74/563894574.db2.gz MVGCKWKPJHDFPP-DOMZBBRYSA-N 1 0 384.318 2.688 20 0 GFADRO C[C@H]1CN(C(=O)NCCc2c[nH]c3ccc(Br)cc23)CC[C@H]1[NH3+] ZINC000418000682 563894741 /nfs/dbraw/zinc/89/47/41/563894741.db2.gz JSFMWDMSCHKPDA-XHDPSFHLSA-N 1 0 379.302 2.852 20 0 GFADRO COc1cc(Br)ccc1CCCNC(=O)N1CC[NH2+][C@@H](C)[C@@H]1C ZINC000418007859 563894904 /nfs/dbraw/zinc/89/49/04/563894904.db2.gz ROHUMXMKNVHDDB-STQMWFEESA-N 1 0 384.318 2.782 20 0 GFADRO CCCOC[C@@H](Cc1cccc(Br)c1)NC(=O)NC1CC[NH2+]CC1 ZINC000418038434 563896375 /nfs/dbraw/zinc/89/63/75/563896375.db2.gz YOUWSUPWAJIDIL-QGZVFWFLSA-N 1 0 398.345 2.838 20 0 GFADRO Cc1ccc(Br)cc1CNC(=O)N1CCC(OCCC[NH3+])CC1 ZINC000418051145 563896782 /nfs/dbraw/zinc/89/67/82/563896782.db2.gz RBURNQIBCSBWJV-UHFFFAOYSA-N 1 0 384.318 2.797 20 0 GFADRO C[C@H](CC[NH3+])NC(=O)NCc1cc(Br)ccc1Br ZINC000418046306 563896938 /nfs/dbraw/zinc/89/69/38/563896938.db2.gz OWOJHESPLXXOLD-MRVPVSSYSA-N 1 0 379.096 2.748 20 0 GFADRO CCC[NH2+]CCNC(=O)N[C@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O ZINC000418085003 563898147 /nfs/dbraw/zinc/89/81/47/563898147.db2.gz WNWCHSPNHMOYPA-AWEZNQCLSA-N 1 0 387.311 2.788 20 0 GFADRO O=C(N[C@H]1CCN(c2cccc(Br)c2)C1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000418094959 563898494 /nfs/dbraw/zinc/89/84/94/563898494.db2.gz IPNPGGWYBFWRSJ-YOEHRIQHSA-N 1 0 393.329 2.564 20 0 GFADRO C[NH2+]C[C@@H](C)CNC(=O)NCc1ccc(Cl)cc1I ZINC000418095878 563898510 /nfs/dbraw/zinc/89/85/10/563898510.db2.gz WJSUZIOLVRROHI-SECBINFHSA-N 1 0 395.672 2.599 20 0 GFADRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)NCc1cnn(-c2ccc(Br)cc2)c1 ZINC000418089818 563898605 /nfs/dbraw/zinc/89/86/05/563898605.db2.gz MTSNQCYALZUASA-QWHCGFSZSA-N 1 0 392.301 2.527 20 0 GFADRO C[NH2+]C[C@H](C)CNC(=O)NCc1ccc(Cl)cc1I ZINC000418095879 563898662 /nfs/dbraw/zinc/89/86/62/563898662.db2.gz WJSUZIOLVRROHI-VIFPVBQESA-N 1 0 395.672 2.599 20 0 GFADRO C[NH2+]C[C@@H]1CCCN(C(=O)N[C@@H]2CCN(c3cccc(Br)c3)C2)C1 ZINC000418107255 563898945 /nfs/dbraw/zinc/89/89/45/563898945.db2.gz YWJGWESCVBUPPY-GOEBONIOSA-N 1 0 395.345 2.669 20 0 GFADRO O=C(NCCCCn1cc(Br)cn1)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000418109560 563899129 /nfs/dbraw/zinc/89/91/29/563899129.db2.gz URWDBDJPVKARJV-MRXNPFEDSA-N 1 0 398.349 2.599 20 0 GFADRO C[C@H](CCc1ccc(I)cc1)NC(=O)NCC(C)(C)[NH3+] ZINC000418115401 563899471 /nfs/dbraw/zinc/89/94/71/563899471.db2.gz OXTWWHNWNDTOBD-LLVKDONJSA-N 1 0 389.281 2.649 20 0 GFADRO C[NH2+]CCNC(=O)NC[C@@H](c1ccc(Cl)cc1)N(C)CCC(F)(F)F ZINC000418177535 563900703 /nfs/dbraw/zinc/90/07/03/563900703.db2.gz XWJJUZSCFSCSHR-AWEZNQCLSA-N 1 0 380.842 2.784 20 0 GFADRO C[NH+](C)[C@@H]1CCCN(C(=O)c2ccccc2-n2cc(Br)cn2)C1 ZINC000448882547 563902664 /nfs/dbraw/zinc/90/26/64/563902664.db2.gz OHIDASHQGJQMCZ-CQSZACIVSA-N 1 0 377.286 2.801 20 0 GFADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)CCc1cccc(F)c1Br ZINC000448910903 563902938 /nfs/dbraw/zinc/90/29/38/563902938.db2.gz OWVCPNGITPWTAJ-CQSZACIVSA-N 1 0 387.293 2.748 20 0 GFADRO CC[N@@H+]1CCCN(C(=O)c2ccc(I)cc2F)CC1 ZINC000448943598 563903583 /nfs/dbraw/zinc/90/35/83/563903583.db2.gz YAOMAHFKKOGAFV-UHFFFAOYSA-N 1 0 376.213 2.598 20 0 GFADRO Cc1ccc(Br)cc1CC(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000448968994 563904050 /nfs/dbraw/zinc/90/40/50/563904050.db2.gz HYNYZJGTVWCHPA-UHFFFAOYSA-N 1 0 383.330 2.869 20 0 GFADRO C[C@H]1CC[N@H+](C)CCN1C(=O)c1ccccc1-n1cc(Br)cn1 ZINC000448983232 563904488 /nfs/dbraw/zinc/90/44/88/563904488.db2.gz ZMRBDMGPAOYYAI-ZDUSSCGKSA-N 1 0 377.286 2.801 20 0 GFADRO C[C@@H](COc1ccc(Cl)c(Cl)c1)[NH2+][C@@H]1CCN(c2cnn(C)c2)C1=O ZINC000449153155 563907334 /nfs/dbraw/zinc/90/73/34/563907334.db2.gz CNSUZIZFTLUOSN-MEDUHNTESA-N 1 0 383.279 2.889 20 0 GFADRO CN(C)C(=O)[C@@H]1CC[C@H](C[NH2+][C@@H]2CCc3c2ccc(F)c3Br)O1 ZINC000449202983 563907915 /nfs/dbraw/zinc/90/79/15/563907915.db2.gz JQMDJWBQGCKFQH-KMUNFCNLSA-N 1 0 385.277 2.801 20 0 GFADRO COc1ccc(CC[NH2+][C@H](C)c2ccc(SC)cc2)cc1S(N)(=O)=O ZINC000537962875 564178729 /nfs/dbraw/zinc/17/87/29/564178729.db2.gz OOSGROPQTDWXAX-CYBMUJFWSA-N 1 0 380.535 2.958 20 0 GFADRO COCC1CCC([NH2+]CCNS(=O)(=O)c2ccc(Cl)cc2F)CC1 ZINC000449303703 564179668 /nfs/dbraw/zinc/17/96/68/564179668.db2.gz MWPNNKOPPCQUCU-UHFFFAOYSA-N 1 0 378.897 2.552 20 0 GFADRO CS(=O)(=O)N[C@@H]1CCCC[C@H]1C[NH2+][C@@H]1CCc2cc(F)c(F)c(F)c21 ZINC000449322253 564180625 /nfs/dbraw/zinc/18/06/25/564180625.db2.gz OPWZFLBCMQXKBL-IACUBPJLSA-N 1 0 376.444 2.789 20 0 GFADRO Fc1c(Br)cccc1C[NH2+]C[C@H](N1CCOCC1)C(F)(F)F ZINC000449319912 564181008 /nfs/dbraw/zinc/18/10/08/564181008.db2.gz LPQWKQHLYOGUTE-LBPRGKRZSA-N 1 0 385.199 2.941 20 0 GFADRO COc1nccc(C[NH2+][C@@H](C)CC(=O)Nc2cccc(Br)c2)n1 ZINC000449374168 564182003 /nfs/dbraw/zinc/18/20/03/564182003.db2.gz XQTOTFVJDRUJKB-NSHDSACASA-N 1 0 379.258 2.755 20 0 GFADRO O=C(NCC[NH2+][C@@H](c1ccc(Br)cc1)C1CC1)c1cnccn1 ZINC000538099869 564182473 /nfs/dbraw/zinc/18/24/73/564182473.db2.gz FBIZMJPAOANOJK-MRXNPFEDSA-N 1 0 375.270 2.710 20 0 GFADRO OCCCN1CCC[C@@H]1C[NH2+]Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000449388795 564184530 /nfs/dbraw/zinc/18/45/30/564184530.db2.gz QIIWPXZFYRMZIM-GOSISDBHSA-N 1 0 393.329 2.571 20 0 GFADRO COc1cc(Br)c(C[N@@H+]2C[C@H](O)C[C@H]2[C@H]2CCCOC2)cc1O ZINC000449434223 564187155 /nfs/dbraw/zinc/18/71/55/564187155.db2.gz PYQZXBGPGUAAEF-LNSITVRQSA-N 1 0 386.286 2.525 20 0 GFADRO C[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H]3COc4ccc(Br)cc43)C2)C1 ZINC000505661282 564187214 /nfs/dbraw/zinc/18/72/14/564187214.db2.gz UDGOIHZBOICXFQ-YJBOKZPZSA-N 1 0 379.298 2.869 20 0 GFADRO CCOC(=O)C1(O)CC[NH+](CCC(=O)Nc2cc(Cl)ccc2Cl)CC1 ZINC000471188620 564188423 /nfs/dbraw/zinc/18/84/23/564188423.db2.gz XQKHQLBOHFQCMN-UHFFFAOYSA-N 1 0 389.279 2.712 20 0 GFADRO O=C(N1CC[C@@H]([NH+]2CCCC2)C1)C1(c2cccc(Br)c2)CC(=O)C1 ZINC000538345157 564188917 /nfs/dbraw/zinc/18/89/17/564188917.db2.gz DWBCWHFAXKWOFN-MRXNPFEDSA-N 1 0 391.309 2.747 20 0 GFADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+]Cc1cnccc1C ZINC000449526339 564189992 /nfs/dbraw/zinc/18/99/92/564189992.db2.gz VTMCQQLZYWUTIK-CYBMUJFWSA-N 1 0 392.297 2.956 20 0 GFADRO O=C1NC(=O)[C@@H]2C[N@H+](Cc3ccc(-c4ccccc4Br)s3)C[C@H]12 ZINC000449524644 564190277 /nfs/dbraw/zinc/19/02/77/564190277.db2.gz SFJYTUDEUGNCKY-BETUJISGSA-N 1 0 391.290 2.882 20 0 GFADRO COc1ccc(C[C@H](CO)C[NH2+][C@@H]2C[C@@H](C)N(C3CC3)C2)cc1Br ZINC000449598937 564191015 /nfs/dbraw/zinc/19/10/15/564191015.db2.gz JMXLZKCOBMUXIX-VNQPRFMTSA-N 1 0 397.357 2.824 20 0 GFADRO O=C(NC[C@H]1C[NH2+]CCCO1)Nc1ncc(Cc2cccc(Cl)c2)s1 ZINC000563436912 564191603 /nfs/dbraw/zinc/19/16/03/564191603.db2.gz ZPHFSRSXQIFUHY-CQSZACIVSA-N 1 0 380.901 2.887 20 0 GFADRO COCCOc1ccc(Br)cc1NC(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000563474560 564192111 /nfs/dbraw/zinc/19/21/11/564192111.db2.gz RBMYFEJAUYSGHK-OLZOCXBDSA-N 1 0 398.301 2.548 20 0 GFADRO CN(C)c1cc(NCc2ccccc2N2CCOCC2)[nH+]cc1Br ZINC000449644440 564192927 /nfs/dbraw/zinc/19/29/27/564192927.db2.gz JRLJCHADLFTGNX-UHFFFAOYSA-N 1 0 391.313 3.359 20 0 GFADRO Cn1cc(I)c(C[NH2+][C@@H]2CCC[C@@H]([C@@H]3CCOC3)C2)n1 ZINC000449607227 564192934 /nfs/dbraw/zinc/19/29/34/564192934.db2.gz WXBUDZMGTQHTTN-JHJVBQTASA-N 1 0 389.281 2.710 20 0 GFADRO CC[C@@H]([NH2+]Cc1cc(I)c(OC)c(OC)c1)[C@@H](O)CC ZINC000449639289 564192943 /nfs/dbraw/zinc/19/29/43/564192943.db2.gz OJELTDFVSITCGV-OLZOCXBDSA-N 1 0 393.265 2.948 20 0 GFADRO C[C@@H]1OCC[C@@H]1[N@H+](CCO)Cc1cc(Br)c2c(c1)OCCCO2 ZINC000449676548 564194679 /nfs/dbraw/zinc/19/46/79/564194679.db2.gz HXIFXKQJRQROKU-WFASDCNBSA-N 1 0 386.286 2.582 20 0 GFADRO [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)c1ccc(-n2cc(Br)cn2)cc1 ZINC000563534244 564195010 /nfs/dbraw/zinc/19/50/10/564195010.db2.gz BJCAELRVZOWKPD-IHXNAJNRSA-N 1 0 389.297 2.881 20 0 GFADRO COc1ccc(C[NH2+]C[C@@H](CO)Cc2ccc(F)c(Br)c2)cn1 ZINC000449681139 564195439 /nfs/dbraw/zinc/19/54/39/564195439.db2.gz IAUBULPCCJZHRA-AWEZNQCLSA-N 1 0 383.261 2.933 20 0 GFADRO CC1(C)C[NH2+]CC[C@H]1NC(=O)c1ccc(I)c(F)c1 ZINC000449702872 564197988 /nfs/dbraw/zinc/19/79/88/564197988.db2.gz DWCIUDJOPNTVNG-GFCCVEGCSA-N 1 0 376.213 2.548 20 0 GFADRO C[C@H](c1ccc(Br)cc1)N1CC[NH+]([C@@H]2CCNC(=O)CC2)CC1 ZINC000449703270 564198159 /nfs/dbraw/zinc/19/81/59/564198159.db2.gz UDOYTZHPXHLGGG-PBHICJAKSA-N 1 0 380.330 2.796 20 0 GFADRO [NH3+]CC[C@H](NC(=O)c1ccc(S(=O)(=O)c2ccccc2)s1)C(F)(F)F ZINC000449731982 564199745 /nfs/dbraw/zinc/19/97/45/564199745.db2.gz YDSQGOSDTZEIQV-LBPRGKRZSA-N 1 0 392.424 2.590 20 0 GFADRO COCc1ccc(CNc2cc(N3CCOCC3)c(Br)c[nH+]2)cc1 ZINC000449764524 564200639 /nfs/dbraw/zinc/20/06/39/564200639.db2.gz BVCIMZYPGVUVRK-UHFFFAOYSA-N 1 0 392.297 3.439 20 0 GFADRO CCS(=O)(=O)c1ccc(CNC(=O)NC[C@H](C)[N@@H+]2CCCC[C@@H]2C)s1 ZINC000471621357 564200763 /nfs/dbraw/zinc/20/07/63/564200763.db2.gz VWAHXCQHTYXXML-KBPBESRZSA-N 1 0 387.571 2.604 20 0 GFADRO COc1ccccc1CNc1cc(N2CCOCC2)c(Br)c[nH+]1 ZINC000449765554 564200861 /nfs/dbraw/zinc/20/08/61/564200861.db2.gz IZPILSLDYYGDOZ-UHFFFAOYSA-N 1 0 378.270 3.301 20 0 GFADRO C[C@H](C[NH+]1CCCCC1)NS(=O)(=O)Cc1cccc(Br)c1 ZINC000563664417 564201315 /nfs/dbraw/zinc/20/13/15/564201315.db2.gz YUOYLGFKYLCUOT-CYBMUJFWSA-N 1 0 375.332 2.743 20 0 GFADRO CN1CC[C@H](NC(=O)c2csc(CC[NH3+])n2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000563713490 564203115 /nfs/dbraw/zinc/20/31/15/564203115.db2.gz MUFDIGQOWFWQGP-XJKSGUPXSA-N 1 0 382.892 2.612 20 0 GFADRO CCNS(=O)(=O)[C@@H]1CC[N@H+](CC/C=C/c2ccc(Br)cc2)C1 ZINC000538902051 564205626 /nfs/dbraw/zinc/20/56/26/564205626.db2.gz IEBFBGXHPIXDCS-LLCTXKFZSA-N 1 0 387.343 2.866 20 0 GFADRO CSCC[C@@H]([NH3+])C(=O)Nc1nc2c(s1)CN(Cc1ccccc1)CC2 ZINC000506612926 564206599 /nfs/dbraw/zinc/20/65/99/564206599.db2.gz PDFKFEXCYHUHEJ-CQSZACIVSA-N 1 0 376.551 2.720 20 0 GFADRO COCC[NH2+]C1CCN(C(=O)NCCOc2cccc(Cl)c2Cl)CC1 ZINC000563892284 564211591 /nfs/dbraw/zinc/21/15/91/564211591.db2.gz PMQGMTBDGNXIET-UHFFFAOYSA-N 1 0 390.311 2.782 20 0 GFADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)c1ccc(Cl)c(Br)c1 ZINC000472121931 564213905 /nfs/dbraw/zinc/21/39/05/564213905.db2.gz JGPNKSJLDSDKSA-LBPRGKRZSA-N 1 0 388.737 2.858 20 0 GFADRO NC(=O)c1ccc(N2CC[NH+](CCSc3ccc(Cl)cc3)CC2)nc1 ZINC000506953706 564214280 /nfs/dbraw/zinc/21/42/80/564214280.db2.gz JDKPYKMTEAEADN-UHFFFAOYSA-N 1 0 376.913 2.748 20 0 GFADRO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)c2ccsc2Br)CC1 ZINC000450030066 564214316 /nfs/dbraw/zinc/21/43/16/564214316.db2.gz VLTQPRZROHTWGQ-NSHDSACASA-N 1 0 375.332 2.675 20 0 GFADRO COc1ccc(C(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)c(I)c1 ZINC000472247747 564217152 /nfs/dbraw/zinc/21/71/52/564217152.db2.gz STHDIERPNJOEBB-QWRGUYRKSA-N 1 0 388.249 2.512 20 0 GFADRO O=C(Nc1ccncc1Br)N1CC[NH+](CC2CCCCC2)CC1 ZINC000507193408 564221096 /nfs/dbraw/zinc/22/10/96/564221096.db2.gz HJIRMPFHMLZRGV-UHFFFAOYSA-N 1 0 381.318 2.996 20 0 GFADRO CS[C@@H]1CN(CC(=O)Nc2nc(-c3ccccc3)cs2)C[C@@H]1[NH+](C)C ZINC000539472442 564221267 /nfs/dbraw/zinc/22/12/67/564221267.db2.gz MCTBHBKKSDALBN-JKSUJKDBSA-N 1 0 376.551 2.726 20 0 GFADRO CC1CCC([NH+]2CCN(C(=O)Nc3ccncc3Br)CC2)CC1 ZINC000507204422 564221922 /nfs/dbraw/zinc/22/19/22/564221922.db2.gz VOAJOZSTJUTSTL-UHFFFAOYSA-N 1 0 381.318 2.994 20 0 GFADRO Cc1ccc([C@H](CNc2cc(Br)cnc2C(N)=O)[NH+](C)C)cc1 ZINC000472497912 564224637 /nfs/dbraw/zinc/22/46/37/564224637.db2.gz KKFBWCDFTNAJDF-HNNXBMFYSA-N 1 0 377.286 2.966 20 0 GFADRO Cc1cc(S(=O)(=O)N2CC[C@]3(C2)CCC[NH2+]C3)c(C)cc1Br ZINC000564211042 564224970 /nfs/dbraw/zinc/22/49/70/564224970.db2.gz NULBPUPSIGUGKQ-MRXNPFEDSA-N 1 0 387.343 2.830 20 0 GFADRO C[C@H](C[N@H+](C)Cc1ccccc1)Nc1cc(Br)cnc1C(N)=O ZINC000472499732 564225355 /nfs/dbraw/zinc/22/53/55/564225355.db2.gz MGTMHZIRURDQLW-GFCCVEGCSA-N 1 0 377.286 2.875 20 0 GFADRO CC[N@@H+]1CCC[C@@H](CNC(=O)NCc2cc(Br)ccc2OC)C1 ZINC000507382783 564227986 /nfs/dbraw/zinc/22/79/86/564227986.db2.gz RFAGVNGDWMKPPZ-ZDUSSCGKSA-N 1 0 384.318 2.989 20 0 GFADRO COC(=O)c1ccc(S(=O)(=O)NCCC[NH+]2CCC(C)CC2)c(Cl)c1 ZINC000507549086 564231355 /nfs/dbraw/zinc/23/13/55/564231355.db2.gz VHRVVLVTIGCOFZ-UHFFFAOYSA-N 1 0 388.917 2.527 20 0 GFADRO CC[C@@H](Cn1cncn1)[NH2+][C@H](C)c1cc2c(cc1Br)OCCO2 ZINC000564424183 564233320 /nfs/dbraw/zinc/23/33/20/564233320.db2.gz QPLCUBBZSFWRKX-NEPJUHHUSA-N 1 0 381.274 2.941 20 0 GFADRO Cc1ccc(Br)cc1C[NH+]1CCC([C@@]2(C)NC(=O)NC2=O)CC1 ZINC000450481352 564234900 /nfs/dbraw/zinc/23/49/00/564234900.db2.gz VVWKHHCLVVTOJT-QGZVFWFLSA-N 1 0 380.286 2.568 20 0 GFADRO CCC[N@H+](CC)C[C@H](C)NC(=O)C(=O)Nc1ccc(F)c(Br)c1 ZINC000564507061 564236863 /nfs/dbraw/zinc/23/68/63/564236863.db2.gz VYDCAPBAUAZTSA-NSHDSACASA-N 1 0 388.281 2.763 20 0 GFADRO C[C@@H]1CN(C(=O)c2ccccc2-n2cc(Br)cn2)[C@@H](C)C[N@@H+]1C ZINC000450541622 564237681 /nfs/dbraw/zinc/23/76/81/564237681.db2.gz RKJRLVYKONFUCF-OLZOCXBDSA-N 1 0 377.286 2.799 20 0 GFADRO CS(=O)(=O)N1CCC[C@@H]([NH2+][C@H]2CCCc3ccc(Br)cc32)C1 ZINC000540175079 564240636 /nfs/dbraw/zinc/24/06/36/564240636.db2.gz PLLODVDGLUVHCK-ZBFHGGJFSA-N 1 0 387.343 2.840 20 0 GFADRO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CC[C@H](C)[S@](C)=O ZINC000540160150 564241194 /nfs/dbraw/zinc/24/11/94/564241194.db2.gz KKPKMPCXZFGWAH-IDFMNXDXSA-N 1 0 375.332 2.913 20 0 GFADRO Cc1cc(C(=O)NC[C@](C)(O)CC[NH+](C)C)c2ccc(Br)cc2n1 ZINC000473265933 564242967 /nfs/dbraw/zinc/24/29/67/564242967.db2.gz ZIPNDRJWIZRMDT-GOSISDBHSA-N 1 0 394.313 2.738 20 0 GFADRO CCOc1cc(C[NH2+]CCC2CCS(=O)(=O)CC2)ccc1OC(F)F ZINC000507832467 564244147 /nfs/dbraw/zinc/24/41/47/564244147.db2.gz BXYWFRJGCZEGTB-UHFFFAOYSA-N 1 0 377.453 2.991 20 0 GFADRO Cc1c([C@@H](C)[NH2+][C@@H]2CCN(S(C)(=O)=O)C2)cnn1-c1cccc(Cl)c1 ZINC000564662928 564244374 /nfs/dbraw/zinc/24/43/74/564244374.db2.gz YTTUVSCOABRSIB-IUODEOHRSA-N 1 0 382.917 2.519 20 0 GFADRO O=C([C@H]1C[C@@]12CCc1cc(Br)ccc12)N1CC[NH+]2CCC1CC2 ZINC000507873711 564246012 /nfs/dbraw/zinc/24/60/12/564246012.db2.gz IGJPBXAKGZMBTF-IEBWSBKVSA-N 1 0 375.310 2.960 20 0 GFADRO COCCOC[C@H](O)C[NH2+][C@@H]1c2cc(Br)ccc2SC[C@H]1C ZINC000564845628 564251491 /nfs/dbraw/zinc/25/14/91/564251491.db2.gz ZPYSMLICZYRTBI-KFNAQCHYSA-N 1 0 390.343 2.846 20 0 GFADRO C[C@@H](CNC(=O)NCC1=CC[N@H+](C)CC1)Oc1cccc(Br)c1 ZINC000540571258 564252194 /nfs/dbraw/zinc/25/21/94/564252194.db2.gz NHAQFTKBGJDDQG-ZDUSSCGKSA-N 1 0 382.302 2.778 20 0 GFADRO Cc1cn2c(n1)[C@H](C[NH2+]C[C@@H](O)COc1ccc(Br)cc1)CCC2 ZINC000564852582 564252286 /nfs/dbraw/zinc/25/22/86/564252286.db2.gz NGGSCQDPHNSLFL-GOEBONIOSA-N 1 0 394.313 2.861 20 0 GFADRO CO[C@H](c1ccc(Br)cc1)[C@@H](C)[NH2+]CCC(=O)Nc1cc(C)on1 ZINC000564848308 564252441 /nfs/dbraw/zinc/25/24/41/564252441.db2.gz BUXDZGANYIOPPK-PXAZEXFGSA-N 1 0 396.285 3.440 20 0 GFADRO C[C@@H]1CN(C[C@@H](O)C[NH2+]Cc2cccc(Br)c2Cl)C[C@H](C)O1 ZINC000564855989 564252997 /nfs/dbraw/zinc/25/29/97/564252997.db2.gz JHOZEQCCFRYCCN-SCRDCRAPSA-N 1 0 391.737 2.662 20 0 GFADRO O=C1CC[C@@H]([NH+]2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)CCN1 ZINC000450889126 564253324 /nfs/dbraw/zinc/25/33/24/564253324.db2.gz BXZACEUVSRLKNK-GFCCVEGCSA-N 1 0 376.810 2.545 20 0 GFADRO Cc1cc(C)c(C(=O)N2CCC([N@@H+](C)C[C@@H](C)O)CC2)cc1Br ZINC000450960159 564257137 /nfs/dbraw/zinc/25/71/37/564257137.db2.gz MIEGJECJEZYORP-CQSZACIVSA-N 1 0 383.330 2.983 20 0 GFADRO Cc1ccc(Br)cc1CC(=O)NC(C)(C)CC[NH+]1CCN(C)CC1 ZINC000450959314 564257145 /nfs/dbraw/zinc/25/71/45/564257145.db2.gz PCJPFAJHJWCTTL-UHFFFAOYSA-N 1 0 396.373 2.832 20 0 GFADRO CC(C)[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000564941269 564257822 /nfs/dbraw/zinc/25/78/22/564257822.db2.gz LPKYRZVDTJLBPH-CZUORRHYSA-N 1 0 379.913 2.972 20 0 GFADRO CSCC[C@H]([NH3+])C(=O)Nc1nc(-c2ccc3c(c2)CCC(=O)N3)cs1 ZINC000564942080 564258171 /nfs/dbraw/zinc/25/81/71/564258171.db2.gz HZYYMQMLCYMPCR-LBPRGKRZSA-N 1 0 376.507 2.714 20 0 GFADRO CCC[NH+]1CCN(c2nnc(-c3cc(F)ccc3Br)n2C)CC1 ZINC000508238814 564259181 /nfs/dbraw/zinc/25/91/81/564259181.db2.gz RZEATOKHRPQQJK-UHFFFAOYSA-N 1 0 382.281 2.916 20 0 GFADRO COCc1cc(Cl)cc(S(=O)(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)c1 ZINC000564970179 564260945 /nfs/dbraw/zinc/26/09/45/564260945.db2.gz FCWQTDFDALNELE-ZWKOTPCHSA-N 1 0 380.897 2.602 20 0 GFADRO CN(C)S(=O)(=O)[C@@H]1C[N@H+](C[C@@H]2CCCCC2(F)F)C[C@H]1C(F)(F)F ZINC000450998326 564261108 /nfs/dbraw/zinc/26/11/08/564261108.db2.gz ZLKUPVFPWXEUCG-QJPTWQEYSA-N 1 0 378.407 2.566 20 0 GFADRO C[C@@H](NC(=O)NCCOc1ccc(Br)cc1)C1=CC[N@H+](C)CC1 ZINC000540965423 564261416 /nfs/dbraw/zinc/26/14/16/564261416.db2.gz QSGUVHWWMYVYIF-CYBMUJFWSA-N 1 0 382.302 2.778 20 0 GFADRO COc1ccc(C[NH2+]C[C@H]2CCN(S(=O)(=O)c3cccs3)C2)c(F)c1 ZINC000565084366 564265640 /nfs/dbraw/zinc/26/56/40/564265640.db2.gz VGOMZSNTVSETCZ-CYBMUJFWSA-N 1 0 384.498 2.696 20 0 GFADRO COc1c[nH+]ccc1N1CCN(C(=O)NCCc2ccc(Cl)s2)CC1 ZINC000474127897 564266541 /nfs/dbraw/zinc/26/65/41/564266541.db2.gz XSAPEQGRVXMJRH-UHFFFAOYSA-N 1 0 380.901 2.879 20 0 GFADRO CN(C(=O)N[C@@H]1COc2cc(F)c(Br)cc21)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000508646694 564268500 /nfs/dbraw/zinc/26/85/00/564268500.db2.gz DTERUEBBWHAJJG-XHDPSFHLSA-N 1 0 398.276 2.900 20 0 GFADRO CC[C@H]([NH2+]Cc1cc2c(c(Cl)c1)OCO2)c1cccc(S(N)(=O)=O)c1 ZINC000541204883 564268887 /nfs/dbraw/zinc/26/88/87/564268887.db2.gz HYYBGEZCTUUPIC-HNNXBMFYSA-N 1 0 382.869 2.957 20 0 GFADRO O=C1NCC[C@@H]1CC[N@H+]1CC[C@H](Cc2cccc(I)c2)C1 ZINC000565171412 564269311 /nfs/dbraw/zinc/26/93/11/564269311.db2.gz LSJZGOBJSDRSIX-HUUCEWRRSA-N 1 0 398.288 2.682 20 0 GFADRO CC[NH+](CC)[C@H]1CCN(S(=O)(=O)c2cccc(Br)c2F)C1 ZINC000541211609 564269570 /nfs/dbraw/zinc/26/95/70/564269570.db2.gz BBFLRBDBELPJPF-NSHDSACASA-N 1 0 379.295 2.693 20 0 GFADRO CC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2cccc(Br)c2F)C1 ZINC000541212698 564269681 /nfs/dbraw/zinc/26/96/81/564269681.db2.gz VQBGXGGGAZIYEJ-NSHDSACASA-N 1 0 379.295 2.551 20 0 GFADRO Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(C[NH+]2CCCC2)CC1 ZINC000508746403 564271478 /nfs/dbraw/zinc/27/14/78/564271478.db2.gz ILPBDQXELBSKAC-UHFFFAOYSA-N 1 0 393.333 2.885 20 0 GFADRO Cn1cc(Br)cc1-c1nnc(N2CCC[C@H]([NH+]3CCCC3)C2)n1C ZINC000508752056 564271571 /nfs/dbraw/zinc/27/15/71/564271571.db2.gz DZKVVLBLKWSRML-AWEZNQCLSA-N 1 0 393.333 2.648 20 0 GFADRO Fc1ccc(I)c(F)c1CN1CC[N@@H+]2CCC[C@H]2C1 ZINC000474265968 564272478 /nfs/dbraw/zinc/27/24/78/564272478.db2.gz JJUFINYLNXDHLA-JTQLQIEISA-N 1 0 378.204 2.849 20 0 GFADRO CC(C)(C)NC(=O)CC[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000474348376 564275361 /nfs/dbraw/zinc/27/53/61/564275361.db2.gz HPFWKIHSWLIDDK-UHFFFAOYSA-N 1 0 398.345 2.680 20 0 GFADRO CCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(C)cc1Br ZINC000508983812 564278228 /nfs/dbraw/zinc/27/82/28/564278228.db2.gz CWWGPXYODBBKFQ-ZDUSSCGKSA-N 1 0 382.302 2.687 20 0 GFADRO CN(C)S(=O)(=O)CC[NH2+][C@H](c1ccc(Br)cc1)C1CCC1 ZINC000509022670 564278800 /nfs/dbraw/zinc/27/88/00/564278800.db2.gz RFCMJOMFXMHALS-HNNXBMFYSA-N 1 0 375.332 2.771 20 0 GFADRO CNC(=O)NC(=O)CC[NH+]1CCC(C)(c2cccc(Br)c2)CC1 ZINC000509057708 564279933 /nfs/dbraw/zinc/27/99/33/564279933.db2.gz TXQFEARUHARNFD-UHFFFAOYSA-N 1 0 382.302 2.648 20 0 GFADRO O=C(NCCOC(F)(F)F)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000474484885 564279988 /nfs/dbraw/zinc/27/99/88/564279988.db2.gz NDLZUHCOHRXAFA-UHFFFAOYSA-N 1 0 377.432 2.936 20 0 GFADRO COCCN(C)CC[NH2+][C@@H](C)CCc1ccc(I)cc1 ZINC000474596116 564282332 /nfs/dbraw/zinc/28/23/32/564282332.db2.gz JTSUQMNCSRWCOG-AWEZNQCLSA-N 1 0 390.309 2.780 20 0 GFADRO C[C@@H](CCc1ccc(I)cc1)[NH2+][C@@H](C)Cn1cncn1 ZINC000474622415 564283251 /nfs/dbraw/zinc/28/32/51/564283251.db2.gz LUFJEYNOTSRIFT-STQMWFEESA-N 1 0 384.265 2.882 20 0 GFADRO C[NH+](C)CCOCCNS(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000541572732 564283907 /nfs/dbraw/zinc/28/39/07/564283907.db2.gz WKFYMTUMVNYHPU-UHFFFAOYSA-N 1 0 375.705 2.503 20 0 GFADRO CNS(=O)(=O)CCC[NH2+][C@H](C)c1sc(-c2ccc(OC)cc2)nc1C ZINC000541638309 564284997 /nfs/dbraw/zinc/28/49/97/564284997.db2.gz RICNZEMVQNTPEO-GFCCVEGCSA-N 1 0 383.539 2.717 20 0 GFADRO COCC[N@@H+]1CC[C@@H](NC(=O)N2CCc3c(Br)cccc3[C@@H]2C)C1 ZINC000509199521 564286840 /nfs/dbraw/zinc/28/68/40/564286840.db2.gz XWLHUNJNDJMCOM-UONOGXRCSA-N 1 0 396.329 2.799 20 0 GFADRO Cc1ccc(S(=O)(=O)[C@H]2CCCC[C@@H]2[NH2+]CCN2CCSCC2)cc1 ZINC000541734316 564286960 /nfs/dbraw/zinc/28/69/60/564286960.db2.gz LYPLEKSRRUITOU-OALUTQOASA-N 1 0 382.595 2.718 20 0 GFADRO O[C@H](C[NH2+]Cc1cc2cc(Br)ccc2[nH]1)COC1CCOCC1 ZINC000565593961 564287418 /nfs/dbraw/zinc/28/74/18/564287418.db2.gz LAALVCYURZFDIR-OAHLLOKOSA-N 1 0 383.286 2.577 20 0 GFADRO C[C@H]1CC[N@H+](CC(=O)NCc2c(Br)cncc2Br)C1 ZINC000565609087 564288361 /nfs/dbraw/zinc/28/83/61/564288361.db2.gz TZMZMNIYAYTVLU-VIFPVBQESA-N 1 0 391.107 2.565 20 0 GFADRO O[C@H](COc1cc(Cl)ccc1Cl)C[N@@H+]1C[C@H](O)C[C@@H]1[C@@H]1CCCOC1 ZINC000451294092 564296523 /nfs/dbraw/zinc/29/65/23/564296523.db2.gz BQBFLHSZXNIGDK-JJAZEVLHSA-N 1 0 390.307 2.595 20 0 GFADRO O=C(N[C@H](CCO)c1ccccc1Br)NC1CC[NH+](C2CC2)CC1 ZINC000541965608 564296631 /nfs/dbraw/zinc/29/66/31/564296631.db2.gz XEGCRMXYOPWEQQ-QGZVFWFLSA-N 1 0 396.329 2.799 20 0 GFADRO OC[C@H]([NH2+]Cc1nc(-c2cccc(Br)c2)c[nH]1)[C@H]1CCCOC1 ZINC000565820963 564297131 /nfs/dbraw/zinc/29/71/31/564297131.db2.gz MVEUMNJXDMHIIM-BBRMVZONSA-N 1 0 380.286 2.716 20 0 GFADRO CCO[C@H](CC[NH+](C)C)CNS(=O)(=O)c1cccc2c(Cl)ccnc21 ZINC000451302002 564297887 /nfs/dbraw/zinc/29/78/87/564297887.db2.gz YSUUHVNJYBVSTB-CYBMUJFWSA-N 1 0 385.917 2.523 20 0 GFADRO Cn1cc(CN2C[C@@H](F)C[C@H]2C[NH2+]Cc2ncc(C(F)(F)F)s2)cn1 ZINC000475050890 564298366 /nfs/dbraw/zinc/29/83/66/564298366.db2.gz NWPMZXLQGXKNSH-RYUDHWBXSA-N 1 0 377.411 2.598 20 0 GFADRO O=S(=O)(c1ccc(Br)cc1Cl)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000565833525 564299081 /nfs/dbraw/zinc/29/90/81/564299081.db2.gz HSOWTTFTRGAVIX-CQSZACIVSA-N 1 0 393.734 2.867 20 0 GFADRO COc1ccc(S(=O)(=O)N2CC([NH2+]C3CCC(CSC)CC3)C2)cc1 ZINC000565873516 564299911 /nfs/dbraw/zinc/29/99/11/564299911.db2.gz MULOSPNEULRCFD-UHFFFAOYSA-N 1 0 384.567 2.580 20 0 GFADRO CCS(=O)(=O)C[C@H](C)[NH2+]C[C@@H](O)COc1cc(C)c(Cl)cc1C(C)C ZINC000565888470 564300485 /nfs/dbraw/zinc/30/04/85/564300485.db2.gz MLXIMNYJOXVMDD-LSDHHAIUSA-N 1 0 391.961 2.924 20 0 GFADRO COC(=O)[C@H]1CC[N@H+](Cc2ccc(Br)cc2N2CCOCC2)[C@H]1C ZINC000475126923 564300538 /nfs/dbraw/zinc/30/05/38/564300538.db2.gz AGUOMGVDPVQVIX-BBRMVZONSA-N 1 0 397.313 2.669 20 0 GFADRO O=C(NCCC[C@@H]1CCC[NH2+]1)C1CCN(C(=O)c2ccc(Cl)s2)CC1 ZINC000565887213 564300876 /nfs/dbraw/zinc/30/08/76/564300876.db2.gz XQOWYTQAUMZNBD-AWEZNQCLSA-N 1 0 383.945 2.902 20 0 GFADRO CC(C)[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl ZINC000475159217 564302119 /nfs/dbraw/zinc/30/21/19/564302119.db2.gz WVYYOECHXBIXDT-ZFWWWQNUSA-N 1 0 387.933 2.730 20 0 GFADRO CC[NH+]1CCN(CCNC(=O)c2ccc(Br)c(Cl)c2F)CC1 ZINC000509497985 564302168 /nfs/dbraw/zinc/30/21/68/564302168.db2.gz KOTCWNBVIYCLOO-UHFFFAOYSA-N 1 0 392.700 2.609 20 0 GFADRO CS[C@H]1CN(S(=O)(=O)c2cccc3c(Cl)ccnc32)C[C@H]1[NH+](C)C ZINC000451356816 564304714 /nfs/dbraw/zinc/30/47/14/564304714.db2.gz XOAIXKQQYUEYTQ-KGLIPLIRSA-N 1 0 385.942 2.554 20 0 GFADRO CCC[N@H+](C)[C@@H](CNS(=O)(=O)c1cn(C)c(C)n1)c1ccc(Cl)cc1 ZINC000509617734 564305916 /nfs/dbraw/zinc/30/59/16/564305916.db2.gz AZLXRFPGGFPLGM-INIZCTEOSA-N 1 0 384.933 2.743 20 0 GFADRO C[C@@H](C[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Br)N(C)C1CC1 ZINC000566004846 564306156 /nfs/dbraw/zinc/30/61/56/564306156.db2.gz GKXXRAIDPAXUMW-SMDDNHRTSA-N 1 0 391.737 2.915 20 0 GFADRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)c1cc(=O)[nH]c2ccc(Br)cc21 ZINC000509623638 564306206 /nfs/dbraw/zinc/30/62/06/564306206.db2.gz FHLTZJUNQGYFJV-WDEREUQCSA-N 1 0 378.270 2.868 20 0 GFADRO Cc1cc(Br)cn2c(C[NH2+]CCN3CCOC(C)(C)C3)cnc12 ZINC000542246991 564306531 /nfs/dbraw/zinc/30/65/31/564306531.db2.gz GGSASHRJJPVBPW-UHFFFAOYSA-N 1 0 381.318 2.606 20 0 GFADRO COC(=O)[C@@H]1CC[N@H+](C[C@H](O)COc2ccc(Cl)cc2Cl)C[C@H]1C ZINC000475400968 564307673 /nfs/dbraw/zinc/30/76/73/564307673.db2.gz PSKYWRRVLALSLE-KWCYVHTRSA-N 1 0 376.280 2.864 20 0 GFADRO [NH3+][C@@H]1CCc2ncc(NC(=O)COc3cccc(Br)c3)cc2C1 ZINC000566100667 564309407 /nfs/dbraw/zinc/30/94/07/564309407.db2.gz CXUHIFPWLWQKKM-CYBMUJFWSA-N 1 0 376.254 2.678 20 0 GFADRO CO[C@@H]1CCN(C(=O)[C@H](C)Cc2ccc(F)c(Br)c2)[C@H](C[NH3+])C1 ZINC000566099211 564309500 /nfs/dbraw/zinc/30/95/00/564309500.db2.gz XYHNQQNZYQPWFA-KWCYVHTRSA-N 1 0 387.293 2.732 20 0 GFADRO C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1NC(=O)c1ncc(Br)cc1Br ZINC000566102358 564309504 /nfs/dbraw/zinc/30/95/04/564309504.db2.gz JZVHJMHOHKASJO-VHSKPIJISA-N 1 0 391.107 2.723 20 0 GFADRO C[C@@H](Cn1cc(Br)cn1)[NH2+][C@@H](C)C(=O)N1Cc2ccccc2C1 ZINC000475490764 564309912 /nfs/dbraw/zinc/30/99/12/564309912.db2.gz AEDAKOJGQBLUBS-STQMWFEESA-N 1 0 377.286 2.555 20 0 GFADRO COC[C@@H](CO)[NH2+]Cc1cn(-c2ccc(Br)cc2)nc1C(C)C ZINC000475507717 564310527 /nfs/dbraw/zinc/31/05/27/564310527.db2.gz ADSFJUJZNBXXLF-OAHLLOKOSA-N 1 0 382.302 2.855 20 0 GFADRO CN(C)[C@]1(C[NH2+]CCC(=O)Nc2cccc(Br)c2)CCSC1 ZINC000566111019 564310910 /nfs/dbraw/zinc/31/09/10/564310910.db2.gz WEMYAOKSKVGIMP-INIZCTEOSA-N 1 0 386.359 2.805 20 0 GFADRO Cc1ccc(NC(=O)[C@H](C)N2CC[C@H](c3nnc[nH]3)C2)c(Br)c1 ZINC000566138171 564312083 /nfs/dbraw/zinc/31/20/83/564312083.db2.gz COSMFTPEUUNXSK-RYUDHWBXSA-N 1 0 378.274 2.692 20 0 GFADRO Cc1cc(Br)cc(NC(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)c1 ZINC000509769239 564312853 /nfs/dbraw/zinc/31/28/53/564312853.db2.gz BYFPPCGABJPYGT-XJKSGUPXSA-N 1 0 394.313 2.781 20 0 GFADRO O=C(N1CC[C@H](N2CC[NH2+]CC2)C1)C1(c2ccc(Cl)c(Cl)c2)CCC1 ZINC000566188662 564315208 /nfs/dbraw/zinc/31/52/08/564315208.db2.gz AGEAFWJLAFTZMT-HNNXBMFYSA-N 1 0 382.335 2.921 20 0 GFADRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)NC1CCN(Cc2ccc(Br)cc2)CC1 ZINC000566192880 564315392 /nfs/dbraw/zinc/31/53/92/564315392.db2.gz RWZVKLVJVKSUPC-ZIAGYGMSSA-N 1 0 397.361 2.839 20 0 GFADRO CC[N@@H+]1CCCN(c2ncnc3cccc(I)c32)CC1 ZINC000542482339 564315606 /nfs/dbraw/zinc/31/56/06/564315606.db2.gz KLYNFJGCRCIKNP-UHFFFAOYSA-N 1 0 382.249 2.766 20 0 GFADRO C[N@H+]1C[C@H]2CN(C(=O)c3cc(Br)ccc3OC(F)F)C[C@H]2C1 ZINC000566284089 564320599 /nfs/dbraw/zinc/32/05/99/564320599.db2.gz SOALNRHRTJBSSF-AOOOYVTPSA-N 1 0 375.213 2.684 20 0 GFADRO CC[C@H]([NH2+]CCc1ccc(S(=O)(=O)N(CC)CC)s1)c1ccn(C)n1 ZINC000542667587 564320857 /nfs/dbraw/zinc/32/08/57/564320857.db2.gz RUQMSXUVAWPAQP-HNNXBMFYSA-N 1 0 384.571 2.796 20 0 GFADRO CO[C@H]1C[C@H]([NH2+]CCS(=O)(=O)c2cccc(Br)c2)C1(C)C ZINC000451513071 564320963 /nfs/dbraw/zinc/32/09/63/564320963.db2.gz YKAVNZNFJDNHIH-KBPBESRZSA-N 1 0 376.316 2.626 20 0 GFADRO O=C1CCCCCN1CCC[NH2+]Cc1ncc(I)s1 ZINC000510238999 564328216 /nfs/dbraw/zinc/32/82/16/564328216.db2.gz IBOFDAYUPCZYKS-UHFFFAOYSA-N 1 0 393.294 2.630 20 0 GFADRO COC(=O)c1ccc(C[NH2+][C@@H]2CCN(c3ccc(Br)cc3)C2)[nH]1 ZINC000542852763 564328328 /nfs/dbraw/zinc/32/83/28/564328328.db2.gz BNJGZRSPFRSBOS-CQSZACIVSA-N 1 0 378.270 2.932 20 0 GFADRO COc1ccccc1CCNC(=O)C[NH2+][C@H](C)c1cncc(Br)c1 ZINC000566500492 564329774 /nfs/dbraw/zinc/32/97/74/564329774.db2.gz JBSBCKNMEOBYBB-CYBMUJFWSA-N 1 0 392.297 2.862 20 0 GFADRO OC[C@@H]([C@H]([NH2+]C[C@@H](O)COc1ccc(Br)cc1)C1CC1)C1CC1 ZINC000451597654 564330074 /nfs/dbraw/zinc/33/00/74/564330074.db2.gz UYNLHZNOKXQBCG-KBAYOESNSA-N 1 0 384.314 2.576 20 0 GFADRO CC1=CC[N@H+](CCNCc2cn(-c3ccccc3Br)nn2)CC1 ZINC000566531902 564330774 /nfs/dbraw/zinc/33/07/74/564330774.db2.gz HOWAOANQAJBBGI-UHFFFAOYSA-N 1 0 376.302 2.771 20 0 GFADRO CO[C@H]1C[C@@H](CN(C)C(=O)[C@@H]2C[C@H]2c2ccc(Br)cc2)[N@H+](C)C1 ZINC000451610802 564331344 /nfs/dbraw/zinc/33/13/44/564331344.db2.gz ZUYDCZQIUQFVEG-LUKYLMHMSA-N 1 0 381.314 2.730 20 0 GFADRO CC[C@H](C)[NH2+][C@@H](CNS(=O)(=O)c1csc(C(=O)OC)c1)c1ccco1 ZINC000510392933 564332012 /nfs/dbraw/zinc/33/20/12/564332012.db2.gz FUVBRPVQFYXVLV-AAEUAGOBSA-N 1 0 386.495 2.535 20 0 GFADRO O=C(C[NH2+][C@@H]([C@@H](CO)C1CC1)C1CC1)Nc1ccc(Br)cc1F ZINC000451618026 564332065 /nfs/dbraw/zinc/33/20/65/564332065.db2.gz YWDSYJZJGGQHME-SUMWQHHRSA-N 1 0 385.277 2.913 20 0 GFADRO Cc1ccc(S(=O)(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)cc1Br ZINC000566560752 564332498 /nfs/dbraw/zinc/33/24/98/564332498.db2.gz FQPLEAHAEHYFIU-JOCQHMNTSA-N 1 0 375.332 2.801 20 0 GFADRO CC1CC[NH+](C[C@H](O)CNC(=O)C2(c3ccccc3Br)CC2)CC1 ZINC000476277567 564333271 /nfs/dbraw/zinc/33/32/71/564333271.db2.gz LKCOGPPSRFRIQQ-OAHLLOKOSA-N 1 0 395.341 2.690 20 0 GFADRO Cc1nc2ccc(Br)cn2c1C(=O)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000476303811 564334529 /nfs/dbraw/zinc/33/45/29/564334529.db2.gz GIUUWCIDZLZQCJ-HZMBPMFUSA-N 1 0 377.286 2.618 20 0 GFADRO CC(C)C[C@@H](C[NH+]1CCCC1)NS(=O)(=O)c1cccnc1C(F)(F)F ZINC000451655531 564336449 /nfs/dbraw/zinc/33/64/49/564336449.db2.gz YKMWEHPEKJZVNJ-ZDUSSCGKSA-N 1 0 379.448 2.889 20 0 GFADRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1S(=O)(=O)Cc1ccc(Br)cc1 ZINC000510534346 564337425 /nfs/dbraw/zinc/33/74/25/564337425.db2.gz PNJIZICPJRWOQY-XJKSGUPXSA-N 1 0 387.343 2.838 20 0 GFADRO COc1ccc(Cl)cc1NC(=O)CCN1CCCC[C@@H]1CS(C)(=O)=O ZINC000451662555 564337494 /nfs/dbraw/zinc/33/74/94/564337494.db2.gz VUSJPAAFZJGZMJ-CQSZACIVSA-N 1 0 388.917 2.576 20 0 GFADRO C[NH+](C)C1(CNS(=O)(=O)c2cccc(Br)c2F)CCCC1 ZINC000543105333 564338461 /nfs/dbraw/zinc/33/84/61/564338461.db2.gz BCDAQXFTRCVIMF-UHFFFAOYSA-N 1 0 379.295 2.741 20 0 GFADRO CS(=O)(=O)N1CC[C@@H](C[NH2+][C@H]2CCCc3c(Br)cccc32)C1 ZINC000543113803 564338530 /nfs/dbraw/zinc/33/85/30/564338530.db2.gz FGMPHKMJPUDNGR-LRDDRELGSA-N 1 0 387.343 2.698 20 0 GFADRO C[C@H]([NH2+]Cc1ccc(N2CCOCC2)nc1)c1ccc(Br)cn1 ZINC000566713477 564339145 /nfs/dbraw/zinc/33/91/45/564339145.db2.gz FHOKCAMJTGXJLJ-ZDUSSCGKSA-N 1 0 377.286 2.927 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)CNC(=O)c2sc3ccccc3c2Cl)C1 ZINC000566736700 564341449 /nfs/dbraw/zinc/34/14/49/564341449.db2.gz NQAQGNNBBJCGDN-NEPJUHHUSA-N 1 0 379.913 2.870 20 0 GFADRO CC[C@@H]1OCC[C@H]1[NH2+]C[C@H](O)COc1ccc(Cl)cc1Br ZINC000566782858 564343325 /nfs/dbraw/zinc/34/33/25/564343325.db2.gz GTGAZBBGAMZOKQ-YUTCNCBUSA-N 1 0 378.694 2.999 20 0 GFADRO C[C@H](C[NH+]1CCCCCC1)NS(=O)(=O)c1cc2c(cc1Cl)OCCO2 ZINC000476621024 564348433 /nfs/dbraw/zinc/34/84/33/564348433.db2.gz YBESYQFZLGARBR-CYBMUJFWSA-N 1 0 388.917 2.654 20 0 GFADRO C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)[C@H](C)[NH2+]C2CC2)CC1 ZINC000566912755 564348573 /nfs/dbraw/zinc/34/85/73/564348573.db2.gz KIVXFJWDWRLRQD-UONOGXRCSA-N 1 0 380.330 2.795 20 0 GFADRO C[C@H]1CN(S(=O)(=O)Cc2ccc(Cl)cc2Br)CC[C@@H]1[NH3+] ZINC000566914351 564349553 /nfs/dbraw/zinc/34/95/53/564349553.db2.gz LVDNXAVPQKNSQJ-ZANVPECISA-N 1 0 381.723 2.601 20 0 GFADRO COc1ccc(S(=O)(=O)N2CCC([NH2+]C[C@@H]3CCCCS3)CC2)cc1 ZINC000543414226 564349687 /nfs/dbraw/zinc/34/96/87/564349687.db2.gz QLKALJRPIWNDBA-KRWDZBQOSA-N 1 0 384.567 2.724 20 0 GFADRO [NH3+]C[C@H]1CC[C@H](CNC(=O)Cc2cc3c(cc2Br)OCCO3)CC1 ZINC000566975184 564351637 /nfs/dbraw/zinc/35/16/37/564351637.db2.gz WLNFSFZQJOZGND-JOCQHMNTSA-N 1 0 397.313 2.644 20 0 GFADRO C[C@@H]([NH2+][C@@H](C)c1cnn(C)c1)C(=O)N(C)Cc1ccc(Br)cc1 ZINC000543506286 564353385 /nfs/dbraw/zinc/35/33/85/564353385.db2.gz ZANRYKFSDSCCJF-QWHCGFSZSA-N 1 0 379.302 2.880 20 0 GFADRO CCS(=O)(=O)N1CCC(C[NH2+]Cc2ccc(Br)cc2F)CC1 ZINC000543637002 564357343 /nfs/dbraw/zinc/35/73/43/564357343.db2.gz WJKLVWOGFACMHK-UHFFFAOYSA-N 1 0 393.322 2.740 20 0 GFADRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1c(Cl)cccc1S(C)(=O)=O ZINC000476882017 564357600 /nfs/dbraw/zinc/35/76/00/564357600.db2.gz OREKSOYVKCHIFW-HZSPNIEDSA-N 1 0 386.945 2.840 20 0 GFADRO C[C@@H]([NH2+]C[C@@H]1CCCCN1S(=O)(=O)N(C)C)c1cnc2ccsc2c1 ZINC000567115848 564358204 /nfs/dbraw/zinc/35/82/04/564358204.db2.gz IZILBEZSTFOJQC-HIFRSBDPSA-N 1 0 382.555 2.608 20 0 GFADRO NC(=O)[C@@H](Cc1ccccc1)[NH2+][C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000543658961 564358211 /nfs/dbraw/zinc/35/82/11/564358211.db2.gz PQCZYRHURQTYTG-FUHWJXTLSA-N 1 0 388.309 2.714 20 0 GFADRO CC[C@H](C)[NH+]1CCN(C[C@H](O)COc2cc(F)cc(Br)c2)CC1 ZINC000451843141 564358750 /nfs/dbraw/zinc/35/87/50/564358750.db2.gz NNNSJPPFIYHPEJ-BBRMVZONSA-N 1 0 389.309 2.744 20 0 GFADRO CN(C[C@@H]1CCCN(CCOc2c(Cl)cccc2Cl)C1)S(C)(=O)=O ZINC000511137028 564359420 /nfs/dbraw/zinc/35/94/20/564359420.db2.gz BJBRAQRMSRZHGI-ZDUSSCGKSA-N 1 0 395.352 2.976 20 0 GFADRO CCC[N@H+](CC)CCNC(=O)c1ccc(OC)c(I)c1 ZINC000476990127 564360931 /nfs/dbraw/zinc/36/09/31/564360931.db2.gz LCXCDTPJQGCGOU-UHFFFAOYSA-N 1 0 390.265 2.762 20 0 GFADRO O=C(CCCc1ccc(Cl)cc1)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000511209434 564362315 /nfs/dbraw/zinc/36/23/15/564362315.db2.gz VHVTXIVAGYJFPS-OAHLLOKOSA-N 1 0 377.838 2.615 20 0 GFADRO CN(C)c1ncc(CNC(=O)c2c[nH]c3ccc(Br)cc23)n1C ZINC000511232140 564362949 /nfs/dbraw/zinc/36/29/49/564362949.db2.gz RNWWHDPOURSVHE-UHFFFAOYSA-N 1 0 376.258 2.660 20 0 GFADRO COC(=O)c1ccc(OCC[N@@H+]2CC[C@H]([C@@H](O)C(F)(F)F)C2)c(Cl)c1 ZINC000451906290 564364823 /nfs/dbraw/zinc/36/48/23/564364823.db2.gz LFZQWMVNLVDFKA-SMDDNHRTSA-N 1 0 381.778 2.751 20 0 GFADRO CCC[N@H+](C)[C@H](CNS(=O)(=O)C[C@@H](C)COC)c1ccc(Cl)cc1 ZINC000567312843 564366028 /nfs/dbraw/zinc/36/60/28/564366028.db2.gz GHEZVXPHCIVNKY-WMLDXEAASA-N 1 0 376.950 2.925 20 0 GFADRO CS[C@@H]1CN(S(=O)(=O)c2ccc(F)cc2Cl)C[C@H]1[NH+]1CCCC1 ZINC000477129170 564366155 /nfs/dbraw/zinc/36/61/55/564366155.db2.gz URMIVCRRLIBPBO-ZIAGYGMSSA-N 1 0 378.922 2.679 20 0 GFADRO COc1cc(Br)ccc1CCC(=O)NCC1([NH+](C)C)CCOCC1 ZINC000543936121 564368593 /nfs/dbraw/zinc/36/85/93/564368593.db2.gz DHNZVGHNONZKRG-UHFFFAOYSA-N 1 0 399.329 2.617 20 0 GFADRO CSCC[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)N[C@H](C)CC[NH3+] ZINC000477191993 564369217 /nfs/dbraw/zinc/36/92/17/564369217.db2.gz UGVVQBDLJLHRFY-YGRLFVJLSA-N 1 0 392.352 2.698 20 0 GFADRO COC(=O)c1ccc(C[NH2+][C@H](C)Cn2cc(Br)cn2)nc1C1CC1 ZINC000567429676 564370888 /nfs/dbraw/zinc/37/08/88/564370888.db2.gz YALLNENMDHTXSD-LLVKDONJSA-N 1 0 393.285 2.883 20 0 GFADRO CCO[C@@H]1COC[C@H]1[NH2+][C@@H](C)C(=O)N[C@H](C)c1ccc(Cl)cc1Cl ZINC000451945180 564371326 /nfs/dbraw/zinc/37/13/26/564371326.db2.gz SRIJKPBVXUSABP-OXUXUCFPSA-N 1 0 375.296 2.953 20 0 GFADRO CCO[C@@H]1COC[C@H]1[NH2+][C@H](C)C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl ZINC000451945179 564371374 /nfs/dbraw/zinc/37/13/74/564371374.db2.gz SRIJKPBVXUSABP-IRHXVLAXSA-N 1 0 375.296 2.953 20 0 GFADRO C[NH+](C)[C@H]1CCCN(S(=O)(=O)Cc2cc(Cl)ccc2Br)C1 ZINC000567467061 564372950 /nfs/dbraw/zinc/37/29/50/564372950.db2.gz NXSKZPOICRMPGH-ZDUSSCGKSA-N 1 0 395.750 2.958 20 0 GFADRO C[C@H](CC[NH3+])NC(=O)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000477319557 564373192 /nfs/dbraw/zinc/37/31/92/564373192.db2.gz OVAUEZQTLYTKEC-SNVBAGLBSA-N 1 0 378.826 2.824 20 0 GFADRO COCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](Cc2ccc(Br)s2)C1 ZINC000511503129 564374609 /nfs/dbraw/zinc/37/46/09/564374609.db2.gz GETCLMIXRMMHRR-NWDGAFQWSA-N 1 0 375.332 2.874 20 0 GFADRO C[C@@H]1CCCC[C@@H]1NC(=O)C[NH2+][C@](C)(CO)c1ccc(Br)cc1 ZINC000511558080 564375302 /nfs/dbraw/zinc/37/53/02/564375302.db2.gz WDNGUNSIEPJXMA-RPVQJOFSSA-N 1 0 383.330 2.941 20 0 GFADRO C[N@H+](CCOc1ccc(S(N)(=O)=O)cc1F)CCSC1CCCCC1 ZINC000451983797 564376075 /nfs/dbraw/zinc/37/60/75/564376075.db2.gz IISSFFMVZBOZLL-UHFFFAOYSA-N 1 0 390.546 2.850 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)CCC[N@@H+](C)[C@@H]1CCN(C)C1=O ZINC000511588451 564376325 /nfs/dbraw/zinc/37/63/25/564376325.db2.gz OVZCWNQXUCSGME-OAHLLOKOSA-N 1 0 396.329 2.947 20 0 GFADRO COCC[NH+]1CCC(NC(=O)[C@@H]2CCc3cc(Br)ccc32)CC1 ZINC000567591080 564378440 /nfs/dbraw/zinc/37/84/40/564378440.db2.gz LGACLJPBKZQXCM-QGZVFWFLSA-N 1 0 381.314 2.706 20 0 GFADRO C[C@H]1CN(S(=O)(=O)c2ccc(C[NH+](C)C)cc2)C[C@@H](c2ccsc2)O1 ZINC000477482735 564378734 /nfs/dbraw/zinc/37/87/34/564378734.db2.gz SYGJKYAROUJWER-KSSFIOAISA-N 1 0 380.535 2.960 20 0 GFADRO Ic1cnc(C[NH2+]C[C@@H]2CCCCN2C2CC2)s1 ZINC000511764130 564381050 /nfs/dbraw/zinc/38/10/50/564381050.db2.gz CJMWKXFATSVVQX-NSHDSACASA-N 1 0 377.295 2.854 20 0 GFADRO CC(C)(CC[NH3+])NC(=O)CCC[S@@](=O)c1ccc(Br)cc1 ZINC000567657125 564381284 /nfs/dbraw/zinc/38/12/84/564381284.db2.gz TUSCRIKJBAUAAE-OAQYLSRUSA-N 1 0 375.332 2.581 20 0 GFADRO C[C@@H](CC[NH+](C)C)NC(=O)[C@@H](c1cc(Cl)cc(Cl)c1)N1CCOCC1 ZINC000511785768 564381917 /nfs/dbraw/zinc/38/19/17/564381917.db2.gz MTJIKULBMSVHMV-SUMWQHHRSA-N 1 0 388.339 2.823 20 0 GFADRO CN1CC[C@H](C[NH2+][C@@H](c2ccc(Br)cc2)c2cncnc2)CC1=O ZINC000567663145 564381950 /nfs/dbraw/zinc/38/19/50/564381950.db2.gz BHLUANCAOCQMSQ-UGSOOPFHSA-N 1 0 389.297 2.787 20 0 GFADRO Cc1cc(Br)cc(Cl)c1C(=O)NC[C@H](C)N1CC[NH+](C)CC1 ZINC000477666166 564382824 /nfs/dbraw/zinc/38/28/24/564382824.db2.gz MLBOXKLWYJCNNJ-LBPRGKRZSA-N 1 0 388.737 2.777 20 0 GFADRO C[NH+](C)[C@H]1CCC[C@H](NCCS(=O)(=O)c2cccc(Br)c2)C1 ZINC000567683518 564383603 /nfs/dbraw/zinc/38/36/03/564383603.db2.gz PYZJHPWFQQSJJQ-GJZGRUSLSA-N 1 0 389.359 2.685 20 0 GFADRO C[NH+](C)CCCCNC(=O)[C@H](c1cc(Cl)cc(Cl)c1)N1CCOCC1 ZINC000511852026 564384102 /nfs/dbraw/zinc/38/41/02/564384102.db2.gz OFACUDCVEQHFCQ-KRWDZBQOSA-N 1 0 388.339 2.825 20 0 GFADRO O=C(c1cc(F)ccc1I)N1CC[NH+](CC2CC2)CC1 ZINC000511837122 564384136 /nfs/dbraw/zinc/38/41/36/564384136.db2.gz DVLVSAWDUWBFHK-UHFFFAOYSA-N 1 0 388.224 2.598 20 0 GFADRO CC(C)[NH2+]CCCNC(=O)NCCOc1ncc(C(F)(F)F)cc1Cl ZINC000567715529 564384471 /nfs/dbraw/zinc/38/44/71/564384471.db2.gz BDHIIYVIUIBJGL-UHFFFAOYSA-N 1 0 382.814 2.820 20 0 GFADRO CS[C@H]1CN(C(=O)c2cnc(Cc3ccccc3F)s2)C[C@H]1[NH+](C)C ZINC000477711263 564384618 /nfs/dbraw/zinc/38/46/18/564384618.db2.gz IQSCGRDTCRCXNL-ZBFHGGJFSA-N 1 0 379.526 2.991 20 0 GFADRO CCS(=O)(=O)c1ccc(C[N@H+](C)C2CCN(CC(F)(F)F)CC2)cc1 ZINC000452030818 564384854 /nfs/dbraw/zinc/38/48/54/564384854.db2.gz IKXKJQQQLXVBAR-UHFFFAOYSA-N 1 0 378.460 2.939 20 0 GFADRO CS[C@@H]1CN(C(=O)Cc2nc(-c3ccc(F)cc3)cs2)C[C@@H]1[NH+](C)C ZINC000477712471 564385151 /nfs/dbraw/zinc/38/51/51/564385151.db2.gz MQUWCTKBLBODAR-JKSUJKDBSA-N 1 0 379.526 2.996 20 0 GFADRO Brc1cccc(Cc2noc(CN3CC[C@]4(C3)CCC[NH2+]C4)n2)c1 ZINC000567735679 564385985 /nfs/dbraw/zinc/38/59/85/564385985.db2.gz PHTINNSFCNGXOV-GOSISDBHSA-N 1 0 391.313 2.998 20 0 GFADRO C[N@H+](CC(=O)NCc1cccc(Cl)c1)C1CCN(CC(F)(F)F)CC1 ZINC000452040564 564386041 /nfs/dbraw/zinc/38/60/41/564386041.db2.gz QSCWTDXJKSQTOU-UHFFFAOYSA-N 1 0 377.838 2.915 20 0 GFADRO CC(C)[C@H]1[NH2+]CC[C@H]1C(=O)NCCNc1ncc(C(F)(F)F)cc1Cl ZINC000567775258 564388222 /nfs/dbraw/zinc/38/82/22/564388222.db2.gz FWTRBTLCNLUAIF-DGCLKSJQSA-N 1 0 378.826 2.916 20 0 GFADRO COc1ccc(Br)c(S(=O)(=O)NC(C)(C)C[NH+]2CCCC2)c1 ZINC000452076260 564388324 /nfs/dbraw/zinc/38/83/24/564388324.db2.gz AYVMLZZYNKGLRE-UHFFFAOYSA-N 1 0 391.331 2.610 20 0 GFADRO CC1(C)CCC[N@@H+]1CCNS(=O)(=O)c1ccc(OCC(F)(F)F)cc1 ZINC000452081853 564389588 /nfs/dbraw/zinc/38/95/88/564389588.db2.gz DRLIRAHNWFAEIG-UHFFFAOYSA-N 1 0 380.432 2.780 20 0 GFADRO C[C@@H]1[C@H](C)N(C(=O)Nc2cccc(F)c2I)CC[N@H+]1C ZINC000544607994 564389560 /nfs/dbraw/zinc/38/95/60/564389560.db2.gz JKXXLXVVAYKSTC-ZJUUUORDSA-N 1 0 391.228 2.987 20 0 GFADRO O=C(CSCC1CC[NH2+]CC1)Nc1ccc(I)cc1 ZINC000567809534 564390051 /nfs/dbraw/zinc/39/00/51/564390051.db2.gz XMOUFBYVWYDKPV-UHFFFAOYSA-N 1 0 390.290 2.963 20 0 GFADRO C[C@H](C[C@H](C)[NH3+])NC(=O)NCC1(c2cccc(Br)c2)CCOCC1 ZINC000567819318 564390577 /nfs/dbraw/zinc/39/05/77/564390577.db2.gz FLDYLFBFMDZVGC-UONOGXRCSA-N 1 0 398.345 2.922 20 0 GFADRO [NH3+]C1(CNC(=O)[C@H]2CCCN(C(=O)c3ccc(Cl)c(Cl)c3)C2)CCC1 ZINC000567815578 564391014 /nfs/dbraw/zinc/39/10/14/564391014.db2.gz FJDYIYUNNVWOGC-ZDUSSCGKSA-N 1 0 384.307 2.843 20 0 GFADRO NC(=O)[C@@H](Cc1ccccc1)[NH2+][C@H]1CCN(c2ccccc2Br)C1 ZINC000544640814 564391393 /nfs/dbraw/zinc/39/13/93/564391393.db2.gz JJXAFYRWDVMNRZ-DOTOQJQBSA-N 1 0 388.309 2.714 20 0 GFADRO Cc1sc(Br)cc1S(=O)(=O)N(C)[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000452099017 564391863 /nfs/dbraw/zinc/39/18/63/564391863.db2.gz BROIWNKVKGLHMR-LLVKDONJSA-N 1 0 381.361 2.922 20 0 GFADRO Cc1cc(Br)c(S(=O)(=O)N(C)[C@@H]2CC[N@@H+](C(C)C)C2)s1 ZINC000452098612 564392070 /nfs/dbraw/zinc/39/20/70/564392070.db2.gz AQQNUDXJFRYZKK-LLVKDONJSA-N 1 0 381.361 2.922 20 0 GFADRO O[C@H](C[NH2+]Cc1cscc1Br)COc1ccc2c(c1)OCO2 ZINC000512125264 564392840 /nfs/dbraw/zinc/39/28/40/564392840.db2.gz VNFSRWPAVKEBDX-LLVKDONJSA-N 1 0 386.267 2.769 20 0 GFADRO COc1ccc(C(=O)NCC[NH2+]Cc2ccc(OC)cc2Br)cc1 ZINC000512113742 564392916 /nfs/dbraw/zinc/39/29/16/564392916.db2.gz JJTOOGVKGTYIBC-UHFFFAOYSA-N 1 0 393.281 2.986 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H](CNS(=O)(=O)c2cccc(Cl)c2Br)C1 ZINC000567862190 564393035 /nfs/dbraw/zinc/39/30/35/564393035.db2.gz RMDXBUUYEBOFTL-NXEZZACHSA-N 1 0 381.723 2.898 20 0 GFADRO Cc1cc(I)ccc1NC(=O)C[NH2+][C@@H]1CSC[C@H]1C ZINC000512211001 564394830 /nfs/dbraw/zinc/39/48/30/564394830.db2.gz HWXKWGDRUWLWND-ZWNOBZJWSA-N 1 0 390.290 2.879 20 0 GFADRO CC[NH+](CC)[C@H](C)CNC(=O)COc1ccc(Br)cc1C(C)=O ZINC000512308111 564397670 /nfs/dbraw/zinc/39/76/70/564397670.db2.gz DEOQVPPWZQBDEW-GFCCVEGCSA-N 1 0 385.302 2.877 20 0 GFADRO CCC[N@H+](CC)C[C@H](C)NC(=O)c1cccnc1-n1cc(Br)cn1 ZINC000452175717 564398007 /nfs/dbraw/zinc/39/80/07/564398007.db2.gz CRTPNQSJIBKKHP-ZDUSSCGKSA-N 1 0 394.317 2.880 20 0 GFADRO O[C@H](C[NH2+][C@H]1C[C@H](c2ccc(Br)cc2)C1)COC1CCOCC1 ZINC000568079451 564404195 /nfs/dbraw/zinc/40/41/95/564404195.db2.gz ZLXATYZXVCIGAC-DJIMGWMZSA-N 1 0 384.314 2.841 20 0 GFADRO C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NC[C@H]1CCC[N@@H+]1CCCO ZINC000452344576 564406564 /nfs/dbraw/zinc/40/65/64/564406564.db2.gz CRSCGZRLKOUQTL-GXTWGEPZSA-N 1 0 375.296 2.724 20 0 GFADRO Cc1sc(Br)c(C(=O)NC[C@H]2CCC[N@@H+]2CCCO)c1C ZINC000452348793 564407137 /nfs/dbraw/zinc/40/71/37/564407137.db2.gz AUXMLHMUCALWFP-GFCCVEGCSA-N 1 0 375.332 2.704 20 0 GFADRO O=C(NC[C@@H]1CCC[N@H+]1CCCO)c1c[nH]c2ccc(Br)cc12 ZINC000452355909 564407905 /nfs/dbraw/zinc/40/79/05/564407905.db2.gz ZHSWXTQVTCSPJD-ZDUSSCGKSA-N 1 0 380.286 2.507 20 0 GFADRO Ic1c[nH]c(-c2nc(CC3=[NH+][C@@H]4CCCC[C@@H]4N3)no2)c1 ZINC000545141462 564409958 /nfs/dbraw/zinc/40/99/58/564409958.db2.gz NRFUYTDDMVTIKC-AOOOYVTPSA-N 1 0 397.220 2.525 20 0 GFADRO Cc1cc(CCC(=O)N[C@@H]2CCC[N@H+](CCCO)C2)ccc1Br ZINC000452375547 564410139 /nfs/dbraw/zinc/41/01/39/564410139.db2.gz AIPSNGNAASJCQW-MRXNPFEDSA-N 1 0 383.330 2.653 20 0 GFADRO Cn1cc([C@@H]2CN(C(=O)[C@H]3C[C@@H]3c3cccc(Cl)c3Cl)C[C@H]2[NH3+])cn1 ZINC000568253918 564411267 /nfs/dbraw/zinc/41/12/67/564411267.db2.gz NOGNWGMXZVLSIL-ORIJERBGSA-N 1 0 379.291 2.784 20 0 GFADRO CC(C)C[C@H](Cc1cccc(Br)c1)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000478710342 564412943 /nfs/dbraw/zinc/41/29/43/564412943.db2.gz POKATVFBWWTHMJ-NVXWUHKLSA-N 1 0 383.330 2.840 20 0 GFADRO CS(=O)(=O)N[C@@H]1CCCC[C@H]1C[NH2+]Cc1ccc(OCC(F)F)cc1 ZINC000512861405 564414479 /nfs/dbraw/zinc/41/44/79/564414479.db2.gz OPXZJYOGBWEMOZ-GOEBONIOSA-N 1 0 376.469 2.528 20 0 GFADRO COCCCn1nccc1C[NH2+][C@](C)(CO)c1ccc(Br)cc1 ZINC000512862261 564414666 /nfs/dbraw/zinc/41/46/66/564414666.db2.gz SJLBUGHTXUIDAQ-QGZVFWFLSA-N 1 0 382.302 2.679 20 0 GFADRO CS(=O)(=O)N[C@@H]1CCCC[C@@H]1C[NH2+]Cc1cc(Br)ccc1F ZINC000512868368 564414685 /nfs/dbraw/zinc/41/46/85/564414685.db2.gz BPZOMUFOERNNSW-IAQYHMDHSA-N 1 0 393.322 2.786 20 0 GFADRO Clc1ccc(C[NH2+]CCn2cc(Br)cn2)c(-n2cncn2)c1 ZINC000512987510 564416926 /nfs/dbraw/zinc/41/69/26/564416926.db2.gz ALIPPCIECVFNPF-UHFFFAOYSA-N 1 0 381.665 2.670 20 0 GFADRO Fc1ccc(C[NH2+]C[C@@H](N2CCOCC2)C(F)(F)F)cc1Br ZINC000512978226 564417080 /nfs/dbraw/zinc/41/70/80/564417080.db2.gz ZOTKRZCPTHPOTQ-CYBMUJFWSA-N 1 0 385.199 2.941 20 0 GFADRO COc1c(Br)cccc1C[NH2+]C[C@H](N1CCOCC1)C(F)(F)F ZINC000513011723 564418022 /nfs/dbraw/zinc/41/80/22/564418022.db2.gz IPDIRHDGRIBBOJ-ZDUSSCGKSA-N 1 0 397.235 2.810 20 0 GFADRO O=S(=O)(NCCC[N@@H+]1CCc2ccccc2C1)c1ccc(Br)o1 ZINC000545386585 564420589 /nfs/dbraw/zinc/42/05/89/564420589.db2.gz MLIPLBFGLVEGLO-UHFFFAOYSA-N 1 0 399.310 2.769 20 0 GFADRO C[C@@H]1CN(C(=O)C2(c3cccc(Br)c3)CC(=O)C2)C[C@H](C)N1C ZINC000513113837 564420994 /nfs/dbraw/zinc/42/09/94/564420994.db2.gz SQFZADNMQKTHJL-BETUJISGSA-N 1 0 379.298 2.601 20 0 GFADRO C[C@H]1CC[N@H+](C)CCN1C(=O)c1ncc(Br)cc1Br ZINC000545384468 564421035 /nfs/dbraw/zinc/42/10/35/564421035.db2.gz CSXFMQIVWIIHFW-VIFPVBQESA-N 1 0 391.107 2.773 20 0 GFADRO C[C@H](O)C[C@H](C)C[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000568512457 564422062 /nfs/dbraw/zinc/42/20/62/564422062.db2.gz QXPUDZAFXKHRCP-GMXVVIOVSA-N 1 0 380.710 2.839 20 0 GFADRO COC[C@H](C[NH2+]C1CCN(C(=O)c2ccc(Br)cc2C)CC1)OC ZINC000545460882 564424311 /nfs/dbraw/zinc/42/43/11/564424311.db2.gz NWSSMKQGLQMIPE-INIZCTEOSA-N 1 0 399.329 2.613 20 0 GFADRO O[C@H](COc1cc(F)cc(Br)c1)C[N@@H+]1CC[C@@H](O)C12CCCC2 ZINC000568585789 564425195 /nfs/dbraw/zinc/42/51/95/564425195.db2.gz JURVIEKPZKPIKI-GOEBONIOSA-N 1 0 388.277 2.707 20 0 GFADRO CC1(C)CC[C@@H](C[NH2+]C[C@H](O)COc2cc(F)cc(Br)c2)O1 ZINC000568621727 564426858 /nfs/dbraw/zinc/42/68/58/564426858.db2.gz FTNBQCOQYKGYJP-KBPBESRZSA-N 1 0 376.266 2.875 20 0 GFADRO CS(=O)(=O)N1CCC[C@@H]1C[NH2+]Cc1cnc(-c2ccc(Cl)cc2)s1 ZINC000568656850 564428595 /nfs/dbraw/zinc/42/85/95/564428595.db2.gz QOXBXMKYINRSJT-CQSZACIVSA-N 1 0 385.942 2.977 20 0 GFADRO CC(C)[C@H](CNC(=O)N[C@@H](C)c1ncc(Br)cn1)[NH+]1CCCC1 ZINC000568727266 564431443 /nfs/dbraw/zinc/43/14/43/564431443.db2.gz ZCTKSISAOPXLJN-JSGCOSHPSA-N 1 0 384.322 2.720 20 0 GFADRO O=C(NCCC[NH2+]C1CCCCC1)NCCCn1cc(Br)cn1 ZINC000513592418 564433111 /nfs/dbraw/zinc/43/31/11/564433111.db2.gz PGPRHQBYOIXNFQ-UHFFFAOYSA-N 1 0 386.338 2.647 20 0 GFADRO Cc1cc(NC(=O)CNC(=O)C[C@@H]2CCCC[C@H]2[NH3+])ccc1Br ZINC000568745279 564433342 /nfs/dbraw/zinc/43/33/42/564433342.db2.gz UZJGMQQKQRKDRY-SWLSCSKDSA-N 1 0 382.302 2.720 20 0 GFADRO CC[NH2+]CCCNC(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000568760640 564433494 /nfs/dbraw/zinc/43/34/94/564433494.db2.gz RYCQNOIKQAMDLY-CQSZACIVSA-N 1 0 386.323 2.961 20 0 GFADRO Ic1cccc2ncnc(N3CC[NH+](C4CC4)CC3)c12 ZINC000545866931 564434467 /nfs/dbraw/zinc/43/44/67/564434467.db2.gz GFXVPRXHZQUOPF-UHFFFAOYSA-N 1 0 380.233 2.519 20 0 GFADRO Brc1ccc(OCc2ccccn2)c(C[NH2+]C[C@@H]2COCCO2)c1 ZINC000513626718 564435066 /nfs/dbraw/zinc/43/50/66/564435066.db2.gz BVNSRZITVITKRZ-QGZVFWFLSA-N 1 0 393.281 2.928 20 0 GFADRO COC(=O)[C@@H]1CC[N@H+](CCCOc2cccc(I)c2)C1 ZINC000513718605 564436476 /nfs/dbraw/zinc/43/64/76/564436476.db2.gz ZUTHNPYNOKKDTG-GFCCVEGCSA-N 1 0 389.233 2.555 20 0 GFADRO Ic1cnc(N2CC[NH+](CC3CCCCC3)CC2)nc1 ZINC000545916169 564437258 /nfs/dbraw/zinc/43/72/58/564437258.db2.gz AIJULSMDVVONAT-UHFFFAOYSA-N 1 0 386.281 2.784 20 0 GFADRO Cc1cc(CNC(=O)N[C@@H](C)C[C@H](C)[NH3+])ccc1I ZINC000568864140 564437993 /nfs/dbraw/zinc/43/79/93/564437993.db2.gz YZOVFHWFRNPZFR-QWRGUYRKSA-N 1 0 375.254 2.525 20 0 GFADRO OC1(C[NH2+]C2CCN(Cc3cccc(Br)c3)CC2)CCOCC1 ZINC000568857585 564438265 /nfs/dbraw/zinc/43/82/65/564438265.db2.gz IDIHOXKPNOKIJU-UHFFFAOYSA-N 1 0 383.330 2.545 20 0 GFADRO CS(=O)(=O)N1CC[C@H](C[NH2+][C@H]2CCCc3cc(Br)ccc32)C1 ZINC000479402779 564438856 /nfs/dbraw/zinc/43/88/56/564438856.db2.gz SPCJYHDSHVWDCZ-WBMJQRKESA-N 1 0 387.343 2.698 20 0 GFADRO CCC[N@H+](CCC(=O)N1CCN(C)CC1)Cc1ccccc1Br ZINC000513892531 564441924 /nfs/dbraw/zinc/44/19/24/564441924.db2.gz ATEMPBQBEBDANQ-UHFFFAOYSA-N 1 0 382.346 2.825 20 0 GFADRO C[C@H](C[NH2+]CCSCCOc1cccc(Br)c1)S(C)(=O)=O ZINC000568976595 564443348 /nfs/dbraw/zinc/44/33/48/564443348.db2.gz YTHXHTGUYPORTO-GFCCVEGCSA-N 1 0 396.372 2.584 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc(Cl)ccc3I)C[C@@H]21 ZINC000453032105 564443949 /nfs/dbraw/zinc/44/39/49/564443949.db2.gz IYRDNOAFNLPIMU-RNCFNFMXSA-N 1 0 390.652 2.721 20 0 GFADRO CC[NH+](CC)CCCN1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 ZINC000513961085 564444132 /nfs/dbraw/zinc/44/41/32/564444132.db2.gz VIGQGOOLTCRKNV-UHFFFAOYSA-N 1 0 391.940 2.517 20 0 GFADRO CN1CCN(C(=O)CC[NH2+]C2(c3ccc(Br)cc3)CCCC2)CC1 ZINC000514073686 564445449 /nfs/dbraw/zinc/44/54/49/564445449.db2.gz BEKNQJXIMDLNOM-UHFFFAOYSA-N 1 0 394.357 2.972 20 0 GFADRO COc1cc(C)c(Br)cc1S(=O)(=O)N1CCC(CC[NH3+])CC1 ZINC000569009799 564445474 /nfs/dbraw/zinc/44/54/74/564445474.db2.gz AHFWDECQFGFSED-UHFFFAOYSA-N 1 0 391.331 2.516 20 0 GFADRO CCC[N@@H+]1CCC[C@@H]1C(=O)NCc1cn2cc(Br)cc(C)c2n1 ZINC000546113853 564445670 /nfs/dbraw/zinc/44/56/70/564445670.db2.gz FTDRNVXQPMRIGC-OAHLLOKOSA-N 1 0 379.302 2.896 20 0 GFADRO CS(=O)(=O)N1CC[C@@H](C[N@@H+]2CC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)C1 ZINC000514119481 564445858 /nfs/dbraw/zinc/44/58/58/564445858.db2.gz VXMNWDLZVWRESV-GXTWGEPZSA-N 1 0 393.336 2.728 20 0 GFADRO C[C@H]1CC[N@H+](CC(=O)NCC(=O)Nc2ccccc2Br)CC1(C)C ZINC000546125088 564446152 /nfs/dbraw/zinc/44/61/52/564446152.db2.gz YCCPLXVFKUYGFR-ZDUSSCGKSA-N 1 0 396.329 2.872 20 0 GFADRO CN1C(=O)C[C@H](C(=O)NCC[N@H+](C)C2CC2)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000479640777 564446339 /nfs/dbraw/zinc/44/63/39/564446339.db2.gz WGNFFYBELZSBTH-GUYCJALGSA-N 1 0 384.307 2.723 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)c1ncc(Br)cc1Br ZINC000546156886 564446454 /nfs/dbraw/zinc/44/64/54/564446454.db2.gz DRPRXFRUVOBBBD-SECBINFHSA-N 1 0 389.091 2.573 20 0 GFADRO COC1([C@@H](C)[NH2+]CCC(=O)Nc2ccc(Br)cc2)CCOCC1 ZINC000453094275 564447038 /nfs/dbraw/zinc/44/70/38/564447038.db2.gz NSZKSWNSIMQOCE-CYBMUJFWSA-N 1 0 385.302 2.951 20 0 GFADRO CS(=O)(=O)N1CC[C@H](C[NH2+]C2(c3cccc(C(F)(F)F)c3)CCC2)C1 ZINC000514154270 564447040 /nfs/dbraw/zinc/44/70/40/564447040.db2.gz RLSFODVOZLIDSD-CYBMUJFWSA-N 1 0 376.444 2.956 20 0 GFADRO O=S(=O)(Cc1ccon1)NCC[NH2+][C@H](c1ccc(Cl)cc1)C1CCC1 ZINC000453131900 564447924 /nfs/dbraw/zinc/44/79/24/564447924.db2.gz LVKORUUXMLTPAB-KRWDZBQOSA-N 1 0 383.901 2.878 20 0 GFADRO CC[C@H]([NH2+][C@H](C)C(=O)Nc1cccc(S(=O)(=O)NC)c1)c1ccsc1 ZINC000453157732 564448457 /nfs/dbraw/zinc/44/84/57/564448457.db2.gz JCGKXCRSVAOXBI-WBMJQRKESA-N 1 0 381.523 2.724 20 0 GFADRO CCOC(=O)[C@H](C)[C@H](C)[NH2+]CC(=O)NCCc1cccc(Cl)c1Cl ZINC000514249015 564448601 /nfs/dbraw/zinc/44/86/01/564448601.db2.gz ZSFYUJKOPKDXMQ-NEPJUHHUSA-N 1 0 375.296 2.829 20 0 GFADRO CC(C)[C@@H](Cn1cccn1)[NH2+]C[C@H](O)COc1ccccc1Br ZINC000453151448 564449087 /nfs/dbraw/zinc/44/90/87/564449087.db2.gz UUBOIMDAFUXTGY-GOEBONIOSA-N 1 0 382.302 2.700 20 0 GFADRO O=C(Nc1ccc(SCC[NH+]2CCCCC2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000569106213 564449036 /nfs/dbraw/zinc/44/90/36/564449036.db2.gz YGRUSDTYJQCQKK-OAHLLOKOSA-N 1 0 382.551 2.638 20 0 GFADRO CC[C@H](C(=O)OC)C(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000569124869 564449795 /nfs/dbraw/zinc/44/97/95/564449795.db2.gz GEVPCOUDIDLCJP-HNNXBMFYSA-N 1 0 385.302 2.539 20 0 GFADRO C[C@H]([NH2+]C[C@H](CO)[C@H]1CCOC1)c1ccc(F)c(I)c1 ZINC000453207835 564450194 /nfs/dbraw/zinc/45/01/94/564450194.db2.gz BMMSVSGPXJYCGA-WCFLWFBJSA-N 1 0 393.240 2.726 20 0 GFADRO COC(=O)c1cn([C@H]2CC[N@H+](CCOc3ccc(Cl)cc3Cl)C2)nn1 ZINC000546224987 564451079 /nfs/dbraw/zinc/45/10/79/564451079.db2.gz YGJVWEDQFWESPZ-LBPRGKRZSA-N 1 0 385.251 2.697 20 0 GFADRO CC[C@@H](CNS(C)(=O)=O)[NH2+][C@H](C)c1cnn(-c2cccc(Cl)c2)c1C ZINC000453289514 564451624 /nfs/dbraw/zinc/45/16/24/564451624.db2.gz RYHLHYDSWMNPRR-DOMZBBRYSA-N 1 0 384.933 2.813 20 0 GFADRO CC[C@H](CNS(C)(=O)=O)[NH2+][C@@H]1CCCOc2c(Br)cccc21 ZINC000453288282 564452213 /nfs/dbraw/zinc/45/22/13/564452213.db2.gz QXROGDBJAHYBCJ-BXUZGUMPSA-N 1 0 391.331 2.580 20 0 GFADRO CC[C@@H](CNS(C)(=O)=O)[NH2+][C@@H]1CCCc2c(Br)cccc21 ZINC000453285025 564452278 /nfs/dbraw/zinc/45/22/78/564452278.db2.gz NXPDRAVBVXGTSK-XHDPSFHLSA-N 1 0 375.332 2.744 20 0 GFADRO CO[C@@H]([C@@H](C)[NH2+][C@H](C)c1ccc(Br)c(S(N)(=O)=O)c1)C1CC1 ZINC000453351460 564454023 /nfs/dbraw/zinc/45/40/23/564454023.db2.gz HEFZVONTSIIMRG-FCHSOHFDSA-N 1 0 391.331 2.561 20 0 GFADRO C[C@@H]1CSc2ccc(Br)cc2[C@H]1[NH2+]CCS(=O)(=O)N(C)C ZINC000569279458 564457634 /nfs/dbraw/zinc/45/76/34/564457634.db2.gz PJNKZIBHZKGJBL-YGRLFVJLSA-N 1 0 393.372 2.713 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)NCc2cc3c(c(Br)c2)OCO3)c2nccn21 ZINC000569311542 564458116 /nfs/dbraw/zinc/45/81/16/564458116.db2.gz OFQCLYPGEIMWQB-BXKDBHETSA-N 1 0 393.241 2.880 20 0 GFADRO O=C(NCC[NH+]1CCCCC1)C(=O)Nc1cc(Cl)cc(Br)c1 ZINC000453584671 564458800 /nfs/dbraw/zinc/45/88/00/564458800.db2.gz HHPFYWVXTUMQDS-UHFFFAOYSA-N 1 0 388.693 2.643 20 0 GFADRO Cc1cc(Br)c(C[NH2+][C@@H]2CC(=O)N(C)[C@H]2c2cnn(C)c2C)s1 ZINC000453591377 564459302 /nfs/dbraw/zinc/45/93/02/564459302.db2.gz ISVMZCWTUZSASE-CJNGLKHVSA-N 1 0 397.342 2.923 20 0 GFADRO CC[N@@H+]1CCCN(S(=O)(=O)Cc2cc(Cl)ccc2Br)CC1 ZINC000514858696 564460168 /nfs/dbraw/zinc/46/01/68/564460168.db2.gz CUWATWANCONKJT-UHFFFAOYSA-N 1 0 395.750 2.960 20 0 GFADRO O=S1(=O)CC[C@@H]([NH2+]CCc2cscn2)c2cc(Br)ccc21 ZINC000480150351 564461532 /nfs/dbraw/zinc/46/15/32/564461532.db2.gz QZLKOTPYMGBWRR-CYBMUJFWSA-N 1 0 387.324 2.956 20 0 GFADRO C[C@@H]1C[C@H]([NH2+][C@H]2CCS(=O)(=O)c3ccc(Br)cc32)CCN1C ZINC000480178363 564461994 /nfs/dbraw/zinc/46/19/94/564461994.db2.gz IBRXOCAGOKLWCI-KYOSRNDESA-N 1 0 387.343 2.740 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCN(S(=O)(=O)Cc2ccc(Cl)cc2Br)C1 ZINC000569457480 564463847 /nfs/dbraw/zinc/46/38/47/564463847.db2.gz VRFSIHUOXITAHD-UWVGGRQHSA-N 1 0 381.723 2.601 20 0 GFADRO C[C@H](O)C[C@H](C)C[NH2+][C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000480208051 564463929 /nfs/dbraw/zinc/46/39/29/564463929.db2.gz GYRVQALZTFZTLO-MJVIPROJSA-N 1 0 376.316 2.664 20 0 GFADRO C[C@@H]1C[C@H]([NH2+][C@H]2CCS(=O)(=O)c3ccc(Br)cc32)CN1C1CC1 ZINC000480204551 564464282 /nfs/dbraw/zinc/46/42/82/564464282.db2.gz YVJWXCNCCSHYID-FFSVYQOJSA-N 1 0 399.354 2.882 20 0 GFADRO C[C@H]([NH2+]C1CCN(c2nccs2)CC1)c1cccc(NS(C)(=O)=O)c1 ZINC000546687431 564465026 /nfs/dbraw/zinc/46/50/26/564465026.db2.gz DZYGPJRDVKLAQJ-ZDUSSCGKSA-N 1 0 380.539 2.834 20 0 GFADRO CCN(CC)C[C@@H](C)[NH2+][C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000480251153 564465679 /nfs/dbraw/zinc/46/56/79/564465679.db2.gz HBQRIVSGUFWYFA-DOMZBBRYSA-N 1 0 389.359 2.988 20 0 GFADRO C[NH+](C)[C@@]1(CNC(=O)CCc2cc(Br)cs2)CCSC1 ZINC000480277025 564466948 /nfs/dbraw/zinc/46/69/48/564466948.db2.gz KEDFWADINPXAMY-CQSZACIVSA-N 1 0 377.373 2.997 20 0 GFADRO C[C@@H]([NH2+]CCCN1C(=O)NC(C)(C)C1=O)c1ccc(Br)cc1F ZINC000569647017 564472130 /nfs/dbraw/zinc/47/21/30/564472130.db2.gz JBHVRCCANLBBJQ-SNVBAGLBSA-N 1 0 386.265 2.959 20 0 GFADRO CN(CC[NH2+]CCS(=O)(=O)c1cccc(Br)c1)C1CCCC1 ZINC000515235033 564473052 /nfs/dbraw/zinc/47/30/52/564473052.db2.gz WJYCHSPMLJXWRP-UHFFFAOYSA-N 1 0 389.359 2.687 20 0 GFADRO C[NH+](C)CCCCC(=O)NCc1nnc(-c2ccc(Br)cc2)[nH]1 ZINC000515318295 564475261 /nfs/dbraw/zinc/47/52/61/564475261.db2.gz FKRUKTCIFGRMEH-UHFFFAOYSA-N 1 0 380.290 2.582 20 0 GFADRO OC[C@@H](C[NH2+]C[C@@H](O)COc1ccccc1)Cc1ccccc1Br ZINC000515383590 564477488 /nfs/dbraw/zinc/47/74/88/564477488.db2.gz NXNUIZRRDYYPTD-NVXWUHKLSA-N 1 0 394.309 2.630 20 0 GFADRO CC[NH+](CC)CCOCCNC(=O)Nc1ccc(OC)c(Br)c1 ZINC000480580954 564478425 /nfs/dbraw/zinc/47/84/25/564478425.db2.gz MTVNUVRBEFALQV-UHFFFAOYSA-N 1 0 388.306 2.938 20 0 GFADRO CC[NH+](CC)C[C@@H]1CCCC[C@H]1NCc1cc(Cl)cc(S(N)(=O)=O)c1 ZINC000569850025 564480975 /nfs/dbraw/zinc/48/09/75/564480975.db2.gz BVZCMTWVDSZPSZ-MAUKXSAKSA-N 1 0 387.977 2.978 20 0 GFADRO CC[NH+](CC)CC[C@H](CO)NC(=O)Cc1cc(Cl)ccc1Br ZINC000515499631 564481192 /nfs/dbraw/zinc/48/11/92/564481192.db2.gz MUGXZQPGFFRISI-CQSZACIVSA-N 1 0 391.737 2.854 20 0 GFADRO C[N@@H+]1CC[C@@H](Nc2ncc(I)cn2)[C@H]1c1ccccc1 ZINC000547328596 564484522 /nfs/dbraw/zinc/48/45/22/564484522.db2.gz GXRCURJSUXYRGP-ZIAGYGMSSA-N 1 0 380.233 2.939 20 0 GFADRO C[C@H]([NH3+])C[C@H](C)NC(=O)N(CCn1ccnc1)Cc1ccc(Br)o1 ZINC000515644694 564484600 /nfs/dbraw/zinc/48/46/00/564484600.db2.gz HBRNUPSZLSAUPK-STQMWFEESA-N 1 0 398.305 2.576 20 0 GFADRO C[NH+](C)CCOc1cnccc1CNC(=O)c1ccc(Br)cc1 ZINC000515706325 564485667 /nfs/dbraw/zinc/48/56/67/564485667.db2.gz KFFQVFIXOBVLEW-UHFFFAOYSA-N 1 0 378.270 2.715 20 0 GFADRO C[NH+](C)CCn1nccc1NC(=O)N[C@H]1C[C@H]1c1cccc(Br)c1 ZINC000570020473 564487661 /nfs/dbraw/zinc/48/76/61/564487661.db2.gz GHKQUAQVQMCIJI-GJZGRUSLSA-N 1 0 392.301 2.885 20 0 GFADRO Cc1cc(S(=O)(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)c(F)cc1Br ZINC000516063183 564492329 /nfs/dbraw/zinc/49/23/29/564492329.db2.gz PFZRMMGMNBETBX-QWRGUYRKSA-N 1 0 379.295 2.645 20 0 GFADRO C[C@]1(CNC(=O)C2CCN(C(=O)c3ccc(Cl)s3)CC2)CCC[NH2+]C1 ZINC000516048381 564492520 /nfs/dbraw/zinc/49/25/20/564492520.db2.gz KMHWTDCOKOPPMC-SFHVURJKSA-N 1 0 383.945 2.760 20 0 GFADRO CN(C(=O)C[NH2+]C[C@H](O)COc1cccc(Br)c1)C1CCCCC1 ZINC000570154957 564493229 /nfs/dbraw/zinc/49/32/29/564493229.db2.gz ILPKSCCJBZRYFP-INIZCTEOSA-N 1 0 399.329 2.570 20 0 GFADRO Cc1cc(NC(=O)C(=O)NCC[N@@H+]2CCCC2(C)C)ccc1Br ZINC000454073497 564496109 /nfs/dbraw/zinc/49/61/09/564496109.db2.gz WCYFKVIKXHJQFF-UHFFFAOYSA-N 1 0 382.302 2.687 20 0 GFADRO Cc1ccc(Br)c(NC(=O)C(=O)NCCCC[N@@H+](C)C2CC2)c1 ZINC000454088929 564496852 /nfs/dbraw/zinc/49/68/52/564496852.db2.gz AHGSQYHVLHMRDO-UHFFFAOYSA-N 1 0 382.302 2.687 20 0 GFADRO COc1ccc(C[NH2+][C@H](C)Cn2cc(Br)ccc2=O)c(OC)c1 ZINC000516556742 564505337 /nfs/dbraw/zinc/50/53/37/564505337.db2.gz QXBBTBKVTTXLEO-GFCCVEGCSA-N 1 0 381.270 2.806 20 0 GFADRO C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+]1CCC[C@H](CO)CC1 ZINC000570424505 564505589 /nfs/dbraw/zinc/50/55/89/564505589.db2.gz YDVVBFQGVOQBJH-HOCLYGCPSA-N 1 0 383.330 2.890 20 0 GFADRO C[NH+](C)[C@@]1(CNC(=O)c2cnn(C(C)(C)C)c2C(F)(F)F)CCSC1 ZINC000481218382 564506016 /nfs/dbraw/zinc/50/60/16/564506016.db2.gz JTPYKYVYFSSNHF-OAHLLOKOSA-N 1 0 378.464 2.824 20 0 GFADRO OC[C@H](C[NH2+]Cc1cn(-c2ccccc2Br)nn1)c1ccccc1 ZINC000516606566 564507051 /nfs/dbraw/zinc/50/70/51/564507051.db2.gz MWEVXAUOLQGOFE-HNNXBMFYSA-N 1 0 387.281 2.896 20 0 GFADRO CC[C@H]1C[N@H+](C)CCCN1S(=O)(=O)c1ccc(OCC(F)(F)F)cc1 ZINC000570486910 564508011 /nfs/dbraw/zinc/50/80/11/564508011.db2.gz OWUIFQYDKKDUAN-ZDUSSCGKSA-N 1 0 380.432 2.733 20 0 GFADRO O[C@H](C[NH2+][C@@H]1CCc2c1ccc(F)c2Br)COC1CCOCC1 ZINC000516762698 564511798 /nfs/dbraw/zinc/51/17/98/564511798.db2.gz KMZUNEKVIFQKCQ-BDJLRTHQSA-N 1 0 388.277 2.722 20 0 GFADRO COC(=O)c1cn(CC[NH2+][C@@H](C)[C@H](C)Oc2ccc(Cl)cc2Cl)nn1 ZINC000516794241 564512459 /nfs/dbraw/zinc/51/24/59/564512459.db2.gz YTZARKLEIVMGPU-QWRGUYRKSA-N 1 0 387.267 2.817 20 0 GFADRO CC(C)[C@H](CNC(=O)CSc1nncs1)[N@@H+]1CCc2ccccc2C1 ZINC000516843060 564513544 /nfs/dbraw/zinc/51/35/44/564513544.db2.gz YJMYVJVSXUUJHB-INIZCTEOSA-N 1 0 376.551 2.829 20 0 GFADRO CC(C)[N@@H+]1CCCN(Cc2cn(-c3ccccc3Br)nn2)CC1 ZINC000516898758 564515090 /nfs/dbraw/zinc/51/50/90/564515090.db2.gz FSBFFVFHFLVBOS-UHFFFAOYSA-N 1 0 378.318 2.946 20 0 GFADRO C[NH+](C)[C@@]1(CNC(=O)N2CC(C)(C)O[C@@](C)(C(F)(F)F)C2)CCSC1 ZINC000454591974 564515323 /nfs/dbraw/zinc/51/53/23/564515323.db2.gz ARRTURKPTUNFHJ-HUUCEWRRSA-N 1 0 383.480 2.565 20 0 GFADRO COCC[N@H+](C)CCCNC(=O)N1CC[C@@H](c2cccc(Br)c2)C1 ZINC000454600769 564515804 /nfs/dbraw/zinc/51/58/04/564515804.db2.gz JLCLJUUFYWEJNV-MRXNPFEDSA-N 1 0 398.345 2.916 20 0 GFADRO Cc1nc(CNC(=O)NCCC2CC[NH+](C)CC2)sc1Br ZINC000454638238 564516885 /nfs/dbraw/zinc/51/68/85/564516885.db2.gz HTDIPXXONOVNKF-UHFFFAOYSA-N 1 0 375.336 2.745 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S(=O)(=O)CC[NH2+][C@H]1CCC(C)(C)C1 ZINC000516922433 564517224 /nfs/dbraw/zinc/51/72/24/564517224.db2.gz BLFLOKDWAGXTEF-HNNXBMFYSA-N 1 0 387.567 2.812 20 0 GFADRO CC(C)[NH+]1CCC(NC(=O)CN2CCc3ccc(Br)cc3C2)CC1 ZINC000570703863 564518219 /nfs/dbraw/zinc/51/82/19/564518219.db2.gz DZVHAADGQDAQIO-UHFFFAOYSA-N 1 0 394.357 2.796 20 0 GFADRO C[C@@H](Cc1ccccc1C(F)(F)F)[NH2+]CCS(=O)(=O)NCC1CCC1 ZINC000481673709 564518566 /nfs/dbraw/zinc/51/85/66/564518566.db2.gz STRIREHBLSKEPK-ZDUSSCGKSA-N 1 0 378.460 2.946 20 0 GFADRO CC[C@H]([NH2+][C@H]1C[C@@H](C)N(C2CC2)C1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000481649468 564518633 /nfs/dbraw/zinc/51/86/33/564518633.db2.gz FIKUOCJMVBQUDM-IFIJOSMWSA-N 1 0 385.961 2.914 20 0 GFADRO O=C(N[C@H]1CCc2c1cccc2Br)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000517023948 564521199 /nfs/dbraw/zinc/52/11/99/564521199.db2.gz DGJLBPGPQLNKMW-GUYCJALGSA-N 1 0 389.297 2.987 20 0 GFADRO COCC[N@@H+]1CC[C@@H](NC(=O)[C@@H](C)Cc2ccc(F)c(Br)c2)C1 ZINC000481751787 564521528 /nfs/dbraw/zinc/52/15/28/564521528.db2.gz BJSQHWUVVUFZRV-GXTWGEPZSA-N 1 0 387.293 2.604 20 0 GFADRO C[C@@H]1CC[NH2+][C@@H](C)[C@H]1NC(=O)c1ccc(-n2cc(Br)cn2)cc1 ZINC000517025082 564521626 /nfs/dbraw/zinc/52/16/26/564521626.db2.gz QXDATVDJZQXFII-WQGACYEGSA-N 1 0 377.286 2.751 20 0 GFADRO O=C(NCC1([NH+]2CCCC2)CCOCC1)c1cc(Br)ccc1O ZINC000517093626 564524727 /nfs/dbraw/zinc/52/47/27/564524727.db2.gz TVMOFOYVRLFYTE-UHFFFAOYSA-N 1 0 383.286 2.530 20 0 GFADRO C[C@@H]1CC[S@](=O)CCN1C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000570887399 564525091 /nfs/dbraw/zinc/52/50/91/564525091.db2.gz XCQSKAGBQLCLNK-BZQUYTCOSA-N 1 0 383.583 2.513 20 0 GFADRO O=C(NC[C@@H]1CCC[N@H+]1CCCO)Nc1c(F)cc(Br)cc1F ZINC000454874746 564526082 /nfs/dbraw/zinc/52/60/82/564526082.db2.gz UUYGGDSZRJBEDY-NSHDSACASA-N 1 0 392.244 2.696 20 0 GFADRO C[C@H]1CN(C(=O)c2[nH]nc(C3CC3)c2Br)CC[N@@H+](C2CCC2)C1 ZINC000571066053 564534431 /nfs/dbraw/zinc/53/44/31/564534431.db2.gz CNSPYACVHBMNRZ-LLVKDONJSA-N 1 0 381.318 2.996 20 0 GFADRO C[C@H](NC(=O)CCNC(=O)[C@H]1CCC[NH2+]1)c1cc(F)c(Cl)cc1Cl ZINC000571160718 564537987 /nfs/dbraw/zinc/53/79/87/564537987.db2.gz UASXUWOGXBCXGD-LKFCYVNXSA-N 1 0 376.259 2.568 20 0 GFADRO C[C@H]1CCN(C(=O)c2ccc(-n3cc(Br)cn3)cc2)C[C@@H]1C[NH3+] ZINC000517731043 564541306 /nfs/dbraw/zinc/54/13/06/564541306.db2.gz DDOGLPPASKQCGY-JSGCOSHPSA-N 1 0 377.286 2.692 20 0 GFADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)c1nc2ccccc2cc1Br ZINC000571246867 564541926 /nfs/dbraw/zinc/54/19/26/564541926.db2.gz RXHUCFXRPMIXIF-AWEZNQCLSA-N 1 0 392.297 2.838 20 0 GFADRO CCc1ccc(S(=O)(=O)NCCc2ccc(OCC[NH+](C)C)cc2)s1 ZINC000517869806 564542858 /nfs/dbraw/zinc/54/28/58/564542858.db2.gz OYIPNCUCPIJBBK-UHFFFAOYSA-N 1 0 382.551 2.772 20 0 GFADRO O=C(c1ccc(I)cc1F)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000571272652 564543452 /nfs/dbraw/zinc/54/34/52/564543452.db2.gz AVMMFUHRCZNYAR-GFCCVEGCSA-N 1 0 388.224 2.741 20 0 GFADRO COCC1([NH2+][C@H](C)CC(=O)Nc2ccc(Br)cc2)CCOCC1 ZINC000517978301 564543797 /nfs/dbraw/zinc/54/37/97/564543797.db2.gz YCMRXEKTVOHTSE-CYBMUJFWSA-N 1 0 385.302 2.951 20 0 GFADRO Cc1c(Br)ccc(NC(=O)NC[C@H]2CCCC[N@@H+]2CCO)c1F ZINC000455295782 564547380 /nfs/dbraw/zinc/54/73/80/564547380.db2.gz FIYANLVQVSGJER-GFCCVEGCSA-N 1 0 388.281 2.865 20 0 GFADRO [NH3+][C@H]1C[C@@H](C(=O)Nc2ccc(Br)c(I)c2)C1 ZINC000518188344 564547721 /nfs/dbraw/zinc/54/77/21/564547721.db2.gz TUQZHYULNDDJHO-KNVOCYPGSA-N 1 0 395.038 2.730 20 0 GFADRO O=C(Nc1cc2c(cc1Br)CCC2)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000455286493 564547615 /nfs/dbraw/zinc/54/76/15/564547615.db2.gz UKRRAUGRJDXIOP-OAHLLOKOSA-N 1 0 396.329 2.906 20 0 GFADRO CCOc1c(Br)cc(C[NH2+][C@@H]2CCN(CCOC)C2)cc1OC ZINC000518286757 564549859 /nfs/dbraw/zinc/54/98/59/564549859.db2.gz OFFXGJJUIFDLSC-CQSZACIVSA-N 1 0 387.318 2.667 20 0 GFADRO O=C([C@H]1CCC[N@H+]1CCOc1cccc(Br)c1)N1CCSCC1 ZINC000518333930 564550392 /nfs/dbraw/zinc/55/03/92/564550392.db2.gz ZZJHCSVPKBQRBO-MRXNPFEDSA-N 1 0 399.354 2.868 20 0 GFADRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)CCC[S@](=O)c1ccc(Br)cc1 ZINC000571439284 564551696 /nfs/dbraw/zinc/55/16/96/564551696.db2.gz BFTSEGXBEUEJMV-IFMYKAFSSA-N 1 0 387.343 2.533 20 0 GFADRO Cc1ccc(Br)cc1S(=O)(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000518375697 564552246 /nfs/dbraw/zinc/55/22/46/564552246.db2.gz SEBKRXSZRPZZNL-UONOGXRCSA-N 1 0 387.343 2.768 20 0 GFADRO CCC(C)(C)[NH2+][C@H](C)C(=O)NCC(=O)Nc1ccc(Br)c(C)c1 ZINC000548449676 564552733 /nfs/dbraw/zinc/55/27/33/564552733.db2.gz WDSLPYOAZIBJCB-GFCCVEGCSA-N 1 0 384.318 2.979 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000571563283 564557540 /nfs/dbraw/zinc/55/75/40/564557540.db2.gz WUQICCWRYXBYPT-MRXNPFEDSA-N 1 0 389.297 2.910 20 0 GFADRO CC[NH+](CC)CCS(=O)(=O)N[C@@H](c1cncc(Br)c1)C1CC1 ZINC000518622595 564557678 /nfs/dbraw/zinc/55/76/78/564557678.db2.gz CLHFRXRVLKHYGL-OAHLLOKOSA-N 1 0 390.347 2.556 20 0 GFADRO COC(=O)CCNC(=O)C[NH2+][C@@](C)(CC(C)C)c1cccc(Br)c1 ZINC000483063455 564557744 /nfs/dbraw/zinc/55/77/44/564557744.db2.gz ZIDHZAWASIFYIM-SFHVURJKSA-N 1 0 399.329 2.979 20 0 GFADRO CCCC[C@@](C)([NH2+]CC(=O)N1CCNC1=O)c1cccc(Br)c1 ZINC000483063066 564557769 /nfs/dbraw/zinc/55/77/69/564557769.db2.gz XGUCMZOWLURTKF-QGZVFWFLSA-N 1 0 382.302 2.996 20 0 GFADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)Nc1ccc(Br)c(C2CC2)n1 ZINC000455592400 564559014 /nfs/dbraw/zinc/55/90/14/564559014.db2.gz DZOUEQIBVODWMB-CYBMUJFWSA-N 1 0 397.317 2.954 20 0 GFADRO C[C@H](CO)[N@H+](C[C@@H](O)COc1cc(F)cc(Br)c1)CC1CCC1 ZINC000483140627 564559683 /nfs/dbraw/zinc/55/96/83/564559683.db2.gz IRJUJIDOZRGWAA-MLGOLLRUSA-N 1 0 390.293 2.811 20 0 GFADRO CN(C)CC[N@H+](C)CCCNC(=O)Nc1ccc(Br)c(C2CC2)n1 ZINC000455619845 564560408 /nfs/dbraw/zinc/56/04/08/564560408.db2.gz JXBZPISNQVQYLT-UHFFFAOYSA-N 1 0 398.349 2.727 20 0 GFADRO CSC1(CNC(=O)N[C@@H](c2nccs2)C(F)(F)F)CC[NH+](C)CC1 ZINC000455634908 564561305 /nfs/dbraw/zinc/56/13/05/564561305.db2.gz IIKKECWQPWHNCQ-JTQLQIEISA-N 1 0 382.477 2.873 20 0 GFADRO O=C(CNC(=O)c1sc2ccccc2c1Cl)NCCC[C@H]1CCC[NH2+]1 ZINC000518768416 564561957 /nfs/dbraw/zinc/56/19/57/564561957.db2.gz MHEUOQLFDORYOR-GFCCVEGCSA-N 1 0 379.913 2.933 20 0 GFADRO C[C@@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[N@@H+]1CC[C@@](C)(C(N)=O)C1 ZINC000483280056 564562869 /nfs/dbraw/zinc/56/28/69/564562869.db2.gz JFHLZEKURCAFRH-BJOHPYRUSA-N 1 0 377.794 2.883 20 0 GFADRO COc1ccc(Br)c(C(=O)NCCC[NH2+][C@@H](C)[C@H]2CCCO2)c1 ZINC000518834246 564563396 /nfs/dbraw/zinc/56/33/96/564563396.db2.gz WDVUKGUVFXZITI-BLLLJJGKSA-N 1 0 385.302 2.735 20 0 GFADRO C[C@@H](Cc1ccccc1Br)NC(=O)Nc1ccnn1CC[NH+](C)C ZINC000455658759 564564226 /nfs/dbraw/zinc/56/42/26/564564226.db2.gz OGUKGLJWPZTLFF-ZDUSSCGKSA-N 1 0 394.317 2.960 20 0 GFADRO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000483396285 564566223 /nfs/dbraw/zinc/56/62/23/564566223.db2.gz CEMLUDTWLAKBIQ-CVEARBPZSA-N 1 0 386.323 2.941 20 0 GFADRO CS[C@H]1CN(C(=O)Cc2cc(Cl)cc3c2OCC3)C[C@H]1[NH+]1CCCC1 ZINC000483399128 564566631 /nfs/dbraw/zinc/56/66/31/564566631.db2.gz YXHMKULMGOPXAQ-SJORKVTESA-N 1 0 380.941 2.856 20 0 GFADRO C[C@@H](CCCO)C[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000518979896 564566897 /nfs/dbraw/zinc/56/68/97/564566897.db2.gz VWFSSTQFVAKQDX-WCQYABFASA-N 1 0 380.710 2.840 20 0 GFADRO COCC(=O)N1CCC([NH2+][C@H](C)Cc2ccc(F)cc2Br)CC1 ZINC000519025249 564568631 /nfs/dbraw/zinc/56/86/31/564568631.db2.gz NGLAAKFCYUFMSN-GFCCVEGCSA-N 1 0 387.293 2.746 20 0 GFADRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)NCCNc1ncc(C(F)(F)F)cc1Cl ZINC000519117997 564570394 /nfs/dbraw/zinc/57/03/94/564570394.db2.gz VRUNYLJCGSRIFT-NXEZZACHSA-N 1 0 379.814 2.544 20 0 GFADRO CC[NH+](CC)CCN(CCOC)S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000519149214 564570527 /nfs/dbraw/zinc/57/05/27/564570527.db2.gz DTVFHDKASIOVBN-UHFFFAOYSA-N 1 0 383.341 2.972 20 0 GFADRO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CCc2sccc2[C@@H]1c1cccs1 ZINC000571881878 564570932 /nfs/dbraw/zinc/57/09/32/564570932.db2.gz FVKBQQRTIUYOIJ-MQIPJXDCSA-N 1 0 377.535 2.526 20 0 GFADRO COC(=O)CC1([NH2+]CC(=O)N(C)Cc2ccccc2Br)CCCC1 ZINC000548756065 564573088 /nfs/dbraw/zinc/57/30/88/564573088.db2.gz XKTROBLCGXXASZ-UHFFFAOYSA-N 1 0 397.313 2.873 20 0 GFADRO O=S1(=O)CC[C@H]([NH2+][C@H](CO)C2CCCC2)c2cc(Br)ccc21 ZINC000571963744 564574285 /nfs/dbraw/zinc/57/42/85/564574285.db2.gz SJTLLQQCVBDTSS-LSDHHAIUSA-N 1 0 388.327 2.808 20 0 GFADRO CC[N@H+](CCNC(=O)NC[C@H](C)Oc1ccccc1Br)C1CC1 ZINC000483759546 564574430 /nfs/dbraw/zinc/57/44/30/564574430.db2.gz LEYGOCFWKJXKBZ-ZDUSSCGKSA-N 1 0 384.318 3.000 20 0 GFADRO CC(C)[C@H]1CN(C(=O)Nc2cc(N(C)C)c(Br)cn2)CC[N@@H+]1C ZINC000455860107 564575544 /nfs/dbraw/zinc/57/55/44/564575544.db2.gz DQOPPMICUFEMCM-CQSZACIVSA-N 1 0 384.322 2.714 20 0 GFADRO C[C@H](CNC(=O)C1(c2ccc(I)cc2)CC1)[NH+]1CCCC1 ZINC000548800460 564575724 /nfs/dbraw/zinc/57/57/24/564575724.db2.gz ZRARCDWYSFKNAG-CYBMUJFWSA-N 1 0 398.288 2.923 20 0 GFADRO CN(C)c1cc(NC(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)ncc1Br ZINC000455861037 564575813 /nfs/dbraw/zinc/57/58/13/564575813.db2.gz FXVLXAXHZMKMKF-GFCCVEGCSA-N 1 0 384.322 2.716 20 0 GFADRO C[C@@H]([NH2+]CCCC(F)(F)F)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000483858227 564576213 /nfs/dbraw/zinc/57/62/13/564576213.db2.gz DNKMKSWOUWRDCT-CYBMUJFWSA-N 1 0 380.432 2.701 20 0 GFADRO O=C(N[C@H]1COc2cc(F)c(Br)cc21)N1CC[NH+]2CCC1CC2 ZINC000572007338 564576923 /nfs/dbraw/zinc/57/69/23/564576923.db2.gz SQKFJQFHTXXVAV-AWEZNQCLSA-N 1 0 384.249 2.511 20 0 GFADRO CC[NH2+]CCCNS(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCCCO1 ZINC000519399272 564577234 /nfs/dbraw/zinc/57/72/34/564577234.db2.gz DYAFXTDQOZZFOA-HNNXBMFYSA-N 1 0 390.933 2.566 20 0 GFADRO CCC[NH+]1CCC(NC(=O)C(=O)Nc2cc(Cl)c(Cl)cc2OC)CC1 ZINC000483897798 564577242 /nfs/dbraw/zinc/57/72/42/564577242.db2.gz MORAXTGFBKLYHD-UHFFFAOYSA-N 1 0 388.295 2.931 20 0 GFADRO Cc1cc(Br)cc(Cl)c1NC(=O)C(=O)N[C@H](C)CC[NH+](C)C ZINC000519465537 564577823 /nfs/dbraw/zinc/57/78/23/564577823.db2.gz NPZJPFBKHTUDIQ-SNVBAGLBSA-N 1 0 390.709 2.806 20 0 GFADRO CN(C)c1cc(NC(=O)NC(C)(C)C[NH+]2CCCC2)ncc1Br ZINC000455872675 564577981 /nfs/dbraw/zinc/57/79/81/564577981.db2.gz WMCUAPORMNBVLF-UHFFFAOYSA-N 1 0 384.322 2.906 20 0 GFADRO COC(=O)[C@@H](c1ccc(Cl)c(Cl)c1)N(C)C1CC[NH+](CCO)CC1 ZINC000483947101 564577986 /nfs/dbraw/zinc/57/79/86/564577986.db2.gz PIXJJYOMLZRSNM-MRXNPFEDSA-N 1 0 375.296 2.596 20 0 GFADRO Cc1c(Br)ccc(NC(=O)C(=O)N[C@H](C)C[N@@H+](C)C(C)C)c1F ZINC000572084988 564580584 /nfs/dbraw/zinc/58/05/84/564580584.db2.gz PHLUQVYOSOTXQU-SNVBAGLBSA-N 1 0 388.281 2.680 20 0 GFADRO CCC[N@H+](Cc1ccc(Br)c2cccnc12)[C@@H]1CC(=O)N(C)C1=O ZINC000548924605 564581164 /nfs/dbraw/zinc/58/11/64/564581164.db2.gz LYXJKPITZSJFFV-OAHLLOKOSA-N 1 0 390.281 2.967 20 0 GFADRO C[N@@H+](Cc1ccc(Br)cc1Cl)C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000548936377 564581465 /nfs/dbraw/zinc/58/14/65/564581465.db2.gz QKIPKZHYOCLWAJ-NSHDSACASA-N 1 0 395.750 2.816 20 0 GFADRO Cc1nc2cc(Cl)c(NC(=O)C(=O)N3C[C@@H](C)[C@@H]([NH+](C)C)C3)cc2s1 ZINC000484109763 564582495 /nfs/dbraw/zinc/58/24/95/564582495.db2.gz XSOMQTBPFFNSHN-OTYXRUKQSA-N 1 0 380.901 2.605 20 0 GFADRO COc1ccc(Br)cc1C(=O)CCC(=O)N1CC[C@H]([C@H](C)[NH3+])C1 ZINC000484145341 564582828 /nfs/dbraw/zinc/58/28/28/564582828.db2.gz RPFBJPWFNGHDDR-RYUDHWBXSA-N 1 0 383.286 2.616 20 0 GFADRO C[C@H]([NH2+]CCc1nnnn1-c1ccccc1)c1ncc(Br)cc1F ZINC000549038687 564584782 /nfs/dbraw/zinc/58/47/82/564584782.db2.gz TZLJBEZXLPHBJM-NSHDSACASA-N 1 0 391.248 2.852 20 0 GFADRO C[C@@H]1CN(C(=O)c2ccc(I)cn2)CC[N@@H+](C2CCC2)C1 ZINC000456042903 564585424 /nfs/dbraw/zinc/58/54/24/564585424.db2.gz BWAIMUHYDFGOQU-LBPRGKRZSA-N 1 0 399.276 2.633 20 0 GFADRO C[C@H](C[N@H+](C)CCC(=O)N1CCN(C)CC1)Oc1ccc(Cl)c(Cl)c1 ZINC000549165313 564586831 /nfs/dbraw/zinc/58/68/31/564586831.db2.gz KKADCIIUXLZYEY-CQSZACIVSA-N 1 0 388.339 2.857 20 0 GFADRO O=C(NCC[NH2+][C@H]1CCCCc2cc(Br)ccc21)c1ccn[nH]1 ZINC000549237675 564589114 /nfs/dbraw/zinc/58/91/14/564589114.db2.gz WVOBQSMOHCNOEN-HNNXBMFYSA-N 1 0 377.286 2.959 20 0 GFADRO CC(C)(C)c1nc2ccc(S(=O)(=O)N3CC[C@H]4C[NH2+]C[C@@H]4C3)cc2s1 ZINC000519775761 564590272 /nfs/dbraw/zinc/59/02/72/564590272.db2.gz USNLJCBZUYUYMJ-QWHCGFSZSA-N 1 0 379.551 2.824 20 0 GFADRO CC[C@H]([NH3+])CNC(=O)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000572362295 564591517 /nfs/dbraw/zinc/59/15/17/564591517.db2.gz BVWKCAPPYUIQPO-LBPRGKRZSA-N 1 0 378.826 2.824 20 0 GFADRO Cc1nnsc1C[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000572357182 564591652 /nfs/dbraw/zinc/59/16/52/564591652.db2.gz HLGKITRAJKGHHI-SNVBAGLBSA-N 1 0 392.706 2.792 20 0 GFADRO O[C@H](C[NH2+]C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1)Cn1cccn1 ZINC000519820099 564592092 /nfs/dbraw/zinc/59/20/92/564592092.db2.gz OSMGLKMXDZALNA-MRXNPFEDSA-N 1 0 383.323 2.805 20 0 GFADRO O=C1C[C@H](C[NH2+]Cc2cc(Br)c3c(c2)OCCCO3)CN1C1CC1 ZINC000572369557 564592088 /nfs/dbraw/zinc/59/20/88/564592088.db2.gz KYXQPXCNDULTKK-CYBMUJFWSA-N 1 0 395.297 2.711 20 0 GFADRO CS[C@@H]1CN(CC(=O)N(CC(C)C)CC(F)(F)F)C[C@@H]1[NH+]1CCCC1 ZINC000484621539 564592671 /nfs/dbraw/zinc/59/26/71/564592671.db2.gz OXJYNXZUEAUVGI-LSDHHAIUSA-N 1 0 381.508 2.545 20 0 GFADRO CC[C@@H](C)[N@H+](CCO)C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000572390497 564593349 /nfs/dbraw/zinc/59/33/49/564593349.db2.gz KBQJKTPZDGVJEF-DGCLKSJQSA-N 1 0 380.710 2.935 20 0 GFADRO CCC[NH+]1CCC(NCc2cn(-c3ccccc3Br)nn2)CC1 ZINC000572431372 564594381 /nfs/dbraw/zinc/59/43/81/564594381.db2.gz NLNBBCOIHBRYJQ-UHFFFAOYSA-N 1 0 378.318 2.994 20 0 GFADRO Cc1ccc(Br)cc1S(=O)(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000549511866 564595610 /nfs/dbraw/zinc/59/56/10/564595610.db2.gz AEGGXLFZIFWNBY-MRXNPFEDSA-N 1 0 387.343 2.864 20 0 GFADRO Cc1c(Br)cccc1S(=O)(=O)N1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000549510189 564595691 /nfs/dbraw/zinc/59/56/91/564595691.db2.gz XOPQBYALXFLERN-INIZCTEOSA-N 1 0 387.343 2.864 20 0 GFADRO CC[NH+](CC)C[C@@H](C)NC(=O)NC[C@H](O)COc1cccc(Cl)c1Cl ZINC000519974374 564595822 /nfs/dbraw/zinc/59/58/22/564595822.db2.gz WGYISAYRKGMSRS-OLZOCXBDSA-N 1 0 392.327 2.763 20 0 GFADRO [NH3+]C1CCC(OCC(=O)N2CCO[C@H](c3ccc(Br)cc3)C2)CC1 ZINC000572479264 564596134 /nfs/dbraw/zinc/59/61/34/564596134.db2.gz OZFGZSUHYQTOTF-JCYILVPMSA-N 1 0 397.313 2.636 20 0 GFADRO CCOC(=O)c1cc2cc(S(=O)(=O)NCCC[NH2+]C(C)C)ccc2s1 ZINC000572521403 564598746 /nfs/dbraw/zinc/59/87/46/564598746.db2.gz HBTYTGWELWYGJV-UHFFFAOYSA-N 1 0 384.523 2.744 20 0 GFADRO C[C@@H]([NH2+]C1CC1)C(=O)N[C@@H](C)c1nc(-c2ccc(Br)cc2)no1 ZINC000520226191 564599877 /nfs/dbraw/zinc/59/98/77/564599877.db2.gz ATFHTYLSJNJHKE-ZJUUUORDSA-N 1 0 379.258 2.817 20 0 GFADRO O=C(Nc1nc(SCc2ccccc2)ns1)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000572583872 564600319 /nfs/dbraw/zinc/60/03/19/564600319.db2.gz VUBOUNBSFQHKJA-KBPBESRZSA-N 1 0 375.523 2.904 20 0 GFADRO CN(Cc1cn(-c2cccc(Br)c2)nn1)C(=O)CCCC[NH+](C)C ZINC000572575056 564600941 /nfs/dbraw/zinc/60/09/41/564600941.db2.gz FRGSTCHDDRGSFJ-UHFFFAOYSA-N 1 0 394.317 2.720 20 0 GFADRO Brc1ccn2cc(C[NH2+][C@H]3CCCC[C@@H]3N3CCOCC3)nc2c1 ZINC000520343954 564601807 /nfs/dbraw/zinc/60/18/07/564601807.db2.gz OLDKPNGRVCIXEP-IRXDYDNUSA-N 1 0 393.329 2.830 20 0 GFADRO C[C@@H]1CC[N@H+](C)CCN1C(=O)C(=O)Nc1cccc(Br)c1Cl ZINC000549698472 564602041 /nfs/dbraw/zinc/60/20/41/564602041.db2.gz FAKYHOKMTGUHHA-SNVBAGLBSA-N 1 0 388.693 2.594 20 0 GFADRO CC(C)(C)[N@@H+]1C[C@@H](C(=O)N2CC[S@](=O)C(C)(C)CC2)[C@H](C(F)(F)F)C1 ZINC000456362576 564602504 /nfs/dbraw/zinc/60/25/04/564602504.db2.gz HQOHGOUIWSTARJ-DSGZJRDPSA-N 1 0 382.492 2.655 20 0 GFADRO CC(C)OCC(=O)Nc1cc(Br)ccc1N1CC[N@H+](C)C[C@H]1C ZINC000456365391 564602562 /nfs/dbraw/zinc/60/25/62/564602562.db2.gz HXILCTQLPOZKTP-CYBMUJFWSA-N 1 0 384.318 2.953 20 0 GFADRO OC[C@@H]([NH2+]C[C@@H](O)Cc1ccc(F)cc1)c1ccc(Br)c(F)c1 ZINC000549717592 564603086 /nfs/dbraw/zinc/60/30/86/564603086.db2.gz CPKCVFQRJHNJPE-WMLDXEAASA-N 1 0 386.236 2.954 20 0 GFADRO COc1ccc(SC)c(OC)c1C(=O)NCC1(SC)CC[NH+](C)CC1 ZINC000484954970 564603192 /nfs/dbraw/zinc/60/31/92/564603192.db2.gz RJDOGAIZJGEIDW-UHFFFAOYSA-N 1 0 384.567 2.983 20 0 GFADRO CC(C)[C@H]([NH3+])CCN(C)C(=O)COc1cccc(I)c1 ZINC000572719738 564606942 /nfs/dbraw/zinc/60/69/42/564606942.db2.gz RFCPTVOFTJRUAJ-CQSZACIVSA-N 1 0 390.265 2.502 20 0 GFADRO CC[NH+](CC)CC[C@H](CO)NC(=O)Cc1c[nH]c2cc(Br)ccc12 ZINC000572779449 564610251 /nfs/dbraw/zinc/61/02/51/564610251.db2.gz LQOFKEALYYKTPA-OAHLLOKOSA-N 1 0 396.329 2.682 20 0 GFADRO CC[C@@H](C[NH2+]Cc1cc(I)c(OC)c(OC)c1)OC ZINC000572804500 564611180 /nfs/dbraw/zinc/61/11/80/564611180.db2.gz GYLVSNYEENTJFD-NSHDSACASA-N 1 0 379.238 2.823 20 0 GFADRO CCC[C@H](C(=O)NC[C@@H](CO)Cc1ccc(C)c(Br)c1)[NH+](C)C ZINC000456486006 564611291 /nfs/dbraw/zinc/61/12/91/564611291.db2.gz IEUSQNHVXKJBHG-DOTOQJQBSA-N 1 0 385.346 2.755 20 0 GFADRO CC[C@H]1[NH2+]CC[C@@H]1C(=O)NCc1cc(Cl)cc(I)c1 ZINC000572840211 564612786 /nfs/dbraw/zinc/61/27/86/564612786.db2.gz WSJCYCBHCNIYHR-QWHCGFSZSA-N 1 0 392.668 2.949 20 0 GFADRO O=C(CNC(=O)[C@@H]1C[C@H]1c1ccc(Cl)s1)NCC[NH+]1CCCCCC1 ZINC000572909719 564615286 /nfs/dbraw/zinc/61/52/86/564615286.db2.gz GRAXFVHHVKXLMM-ZIAGYGMSSA-N 1 0 383.945 2.613 20 0 GFADRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)CNC(=O)c1ccc(Cl)cc1Cl ZINC000572909385 564615645 /nfs/dbraw/zinc/61/56/45/564615645.db2.gz PHPNFPNMENZYDH-MLGOLLRUSA-N 1 0 384.307 2.808 20 0 GFADRO Cc1c(Br)cc(C[NH2+][C@@]2(CO)CCOC2)cc1Br ZINC000521011019 564617627 /nfs/dbraw/zinc/61/76/27/564617627.db2.gz CDEFRZXKVKECSQ-CYBMUJFWSA-N 1 0 379.092 2.761 20 0 GFADRO COC1(C[NH2+]C[C@H](O)COc2cc(F)cc(Br)c2)CCCC1 ZINC000572993286 564618415 /nfs/dbraw/zinc/61/84/15/564618415.db2.gz WJWPQEZYKSGMMJ-AWEZNQCLSA-N 1 0 376.266 2.877 20 0 GFADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)NCc3ccc(Cl)cc3Cl)CC[C@H]21 ZINC000550290470 564619102 /nfs/dbraw/zinc/61/91/02/564619102.db2.gz JHXANVLUPPWALA-CZUORRHYSA-N 1 0 384.307 2.552 20 0 GFADRO CCC[NH+]1CCC(CNC(=O)C(=O)NCc2ccc(Cl)cc2Cl)CC1 ZINC000573026398 564620009 /nfs/dbraw/zinc/62/00/09/564620009.db2.gz DTDZZFPPDKZDGP-UHFFFAOYSA-N 1 0 386.323 2.848 20 0 GFADRO COC(=O)C[C@H]1CSCC[N@@H+]1CCC(=O)Nc1ccc(OC)c(Cl)c1 ZINC000485681679 564622559 /nfs/dbraw/zinc/62/25/59/564622559.db2.gz XNQLVIGENDJYOS-ZDUSSCGKSA-N 1 0 386.901 2.658 20 0 GFADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)c3c(C)ccc(Br)c3C)C2)CC1 ZINC000550390664 564622519 /nfs/dbraw/zinc/62/25/19/564622519.db2.gz BNEFWDHNHXOGRD-MRXNPFEDSA-N 1 0 394.357 2.918 20 0 GFADRO O[C@@H](C[NH2+]CCc1ccc2c(c1)CCO2)COc1cccc(Br)c1 ZINC000521427029 564626408 /nfs/dbraw/zinc/62/64/08/564626408.db2.gz YAOIUWHYMCKALK-KRWDZBQOSA-N 1 0 392.293 2.956 20 0 GFADRO O[C@H](C[NH2+]CCc1ccc2c(c1)CCO2)COc1cccc(Br)c1 ZINC000521427030 564626755 /nfs/dbraw/zinc/62/67/55/564626755.db2.gz YAOIUWHYMCKALK-QGZVFWFLSA-N 1 0 392.293 2.956 20 0 GFADRO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NC1(c2ccc(Br)cc2)CCOCC1 ZINC000485889119 564629975 /nfs/dbraw/zinc/62/99/75/564629975.db2.gz OAOZLMFEDAQFMV-CZUORRHYSA-N 1 0 381.314 2.769 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)NCCNc2ncc(C(F)(F)F)cc2Cl)C1 ZINC000521587443 564631264 /nfs/dbraw/zinc/63/12/64/564631264.db2.gz WYIAHXCBAUHHGR-VHSXEESVSA-N 1 0 379.814 2.544 20 0 GFADRO COc1cc(C[NH2+]C[C@@H](O)COc2ccccc2)cc(Br)c1OC ZINC000550840471 564633593 /nfs/dbraw/zinc/63/35/93/564633593.db2.gz NXBWNUSEEYJGQU-CQSZACIVSA-N 1 0 396.281 2.996 20 0 GFADRO C[NH+]1CCC(CC(=O)Nc2ncn(Cc3cccc(Br)c3)n2)CC1 ZINC000485995937 564634121 /nfs/dbraw/zinc/63/41/21/564634121.db2.gz LQDZXKWRIPWCGO-UHFFFAOYSA-N 1 0 392.301 2.759 20 0 GFADRO O=S(=O)(Cc1ccc(Cl)cc1Br)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000486003325 564635166 /nfs/dbraw/zinc/63/51/66/564635166.db2.gz RRCHBLKGQIZJQP-GFCCVEGCSA-N 1 0 393.734 2.759 20 0 GFADRO CC(C)c1cc(Br)ccc1NC(=O)C(=O)NC[C@@H](C)C[NH+](C)C ZINC000551041049 564636343 /nfs/dbraw/zinc/63/63/43/564636343.db2.gz ITKPROZIHOBIAK-GFCCVEGCSA-N 1 0 384.318 2.825 20 0 GFADRO O=S(=O)(NCC1CC[NH+](C2CC2)CC1)c1csc(-c2ccccc2)n1 ZINC000573407354 564636495 /nfs/dbraw/zinc/63/64/95/564636495.db2.gz GJRNSJVSBUMESP-UHFFFAOYSA-N 1 0 377.535 2.963 20 0 GFADRO O=S(=O)(c1cc(Cl)ccc1OC(F)F)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000521875235 564637483 /nfs/dbraw/zinc/63/74/83/564637483.db2.gz WCDHIQYKRJUQFD-HNNXBMFYSA-N 1 0 380.844 2.706 20 0 GFADRO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)Nc1cc(F)c(I)c(F)c1 ZINC000486120209 564640312 /nfs/dbraw/zinc/64/03/12/564640312.db2.gz MGKFTQSWSHPJIL-APPZFPTMSA-N 1 0 380.176 2.706 20 0 GFADRO C[C@H]1C[C@@H](NS(=O)(=O)c2cccc(Br)c2Cl)CC[N@@H+]1C ZINC000551161462 564640476 /nfs/dbraw/zinc/64/04/76/564640476.db2.gz YSNCBGLBVWQLQN-UWVGGRQHSA-N 1 0 381.723 2.864 20 0 GFADRO CC1(C)C[NH2+]CC[C@@H]1NC(=O)c1ccc(-n2cc(Br)cn2)cc1 ZINC000521970203 564640833 /nfs/dbraw/zinc/64/08/33/564640833.db2.gz USUFKOBGYPZCNK-HNNXBMFYSA-N 1 0 377.286 2.753 20 0 GFADRO COc1ccc(Br)c(CNC(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000573547842 564643604 /nfs/dbraw/zinc/64/36/04/564643604.db2.gz OQPJQVWIVGCSAR-BETUJISGSA-N 1 0 382.302 2.599 20 0 GFADRO CN(C(=O)NCCC1=CC[NH2+]CC1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000573584161 564645501 /nfs/dbraw/zinc/64/55/01/564645501.db2.gz WXSPDQVOOBDNDB-IAGOWNOFSA-N 1 0 384.307 2.903 20 0 GFADRO O=C(N[C@H]1CCN(c2ccccc2Br)C1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000522287008 564648805 /nfs/dbraw/zinc/64/88/05/564648805.db2.gz BDDRTTMLPYSVGH-KBPBESRZSA-N 1 0 393.329 2.564 20 0 GFADRO C[C@H](Sc1cc(Cl)ccc1Cl)C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000573719211 564650624 /nfs/dbraw/zinc/65/06/24/564650624.db2.gz ZFCMXXWLYCSPIH-GXTWGEPZSA-N 1 0 388.364 2.980 20 0 GFADRO C[C@H]1C[C@H](NS(=O)(=O)Cc2ccc(Cl)cc2Br)CC[NH2+]1 ZINC000573722788 564651214 /nfs/dbraw/zinc/65/12/14/564651214.db2.gz HEFNEZNSGUAKJU-JOYOIKCWSA-N 1 0 381.723 2.662 20 0 GFADRO C[NH+](C)CC(C)(C)NC(=O)CSc1nnc(-c2cccs2)n1C1CC1 ZINC000457204685 564652042 /nfs/dbraw/zinc/65/20/42/564652042.db2.gz KGHMLHQXHUIJOT-UHFFFAOYSA-N 1 0 379.555 2.890 20 0 GFADRO OC[C@@H]([NH2+]C1CCN(c2cnccn2)CC1)c1ccc(Br)c(F)c1 ZINC000573780632 564654118 /nfs/dbraw/zinc/65/41/18/564654118.db2.gz TUTPVYXHGFRANS-MRXNPFEDSA-N 1 0 395.276 2.670 20 0 GFADRO [NH3+]C[C@@H](NC(=O)Cc1csc(NC(=O)c2cccs2)n1)C1CCCC1 ZINC000573843866 564655795 /nfs/dbraw/zinc/65/57/95/564655795.db2.gz BEWGNWUKTBNHHF-CYBMUJFWSA-N 1 0 378.523 2.633 20 0 GFADRO CN(C)S(=O)(=O)N1CCCC[C@@H]1C[NH2+][C@@H]1CCCc2ccc(Cl)cc21 ZINC000573878509 564657910 /nfs/dbraw/zinc/65/79/10/564657910.db2.gz IEQQRVJASLRDSK-SJLPKXTDSA-N 1 0 385.961 2.968 20 0 GFADRO CC(=O)N[C@H](CC(=O)N1CC[C@H](C)[C@H]([NH3+])[C@@H]1C)c1ccc(Br)cc1 ZINC000457375633 564658578 /nfs/dbraw/zinc/65/85/78/564658578.db2.gz YEMGZYCZWPBJCD-ZEZXTVPXSA-N 1 0 396.329 2.601 20 0 GFADRO CO[C@@H]1COC[C@H]1[NH2+][C@H](C)CCc1ccc(I)cc1 ZINC000573919369 564659507 /nfs/dbraw/zinc/65/95/07/564659507.db2.gz IFORDUIJNXCLHH-KCPJHIHWSA-N 1 0 375.250 2.616 20 0 GFADRO COCCOC[C@H](O)C[NH2+][C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1 ZINC000573913219 564659920 /nfs/dbraw/zinc/65/99/20/564659920.db2.gz APSBHMUTKQLHJH-HUUCEWRRSA-N 1 0 377.312 2.576 20 0 GFADRO C[C@@H]([NH2+][C@@H](C)CC(=O)N(C)Cc1cccc(Cl)c1)C1(S(C)(=O)=O)CC1 ZINC000573988023 564663740 /nfs/dbraw/zinc/66/37/40/564663740.db2.gz UJPKNCPWLDSRQT-UONOGXRCSA-N 1 0 386.945 2.632 20 0 GFADRO C[NH+](C)[C@H]1CCCN(C(=O)c2cn(Cc3ccc(Cl)cc3Cl)nn2)C1 ZINC000457548071 564665308 /nfs/dbraw/zinc/66/53/08/564665308.db2.gz YYOLKMOOSALTRV-AWEZNQCLSA-N 1 0 382.295 2.799 20 0 GFADRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)[C@H](c1ccc(Br)cc1)N1CCCC1 ZINC000574038713 564665620 /nfs/dbraw/zinc/66/56/20/564665620.db2.gz MGFIAPPIHFMVHH-COXVUDFISA-N 1 0 380.330 2.700 20 0 GFADRO CC(C)[NH2+]CCCNC(=O)[C@@H]1CCCN1C(=O)c1ccc(Br)cc1 ZINC000574038013 564665628 /nfs/dbraw/zinc/66/56/28/564665628.db2.gz QWYCQXDHXPRSSF-INIZCTEOSA-N 1 0 396.329 2.558 20 0 GFADRO CC[NH+](CC)[C@@H](C)CNC(=O)NCc1nc2c(cccc2Br)[nH]1 ZINC000457711954 564670100 /nfs/dbraw/zinc/67/01/00/564670100.db2.gz PLUAFFIOCAPMFK-NSHDSACASA-N 1 0 382.306 2.855 20 0 GFADRO CCc1sc(C(=O)N[C@@H](CO)CC[NH+](CC)CC)cc1Br ZINC000574171468 564670386 /nfs/dbraw/zinc/67/03/86/564670386.db2.gz UILPMJREVZKOCO-LLVKDONJSA-N 1 0 377.348 2.896 20 0 GFADRO CCc1sc(C(=O)N[C@H](CO)CC[NH+](CC)CC)cc1Br ZINC000574171480 564670926 /nfs/dbraw/zinc/67/09/26/564670926.db2.gz UILPMJREVZKOCO-NSHDSACASA-N 1 0 377.348 2.896 20 0 GFADRO CC[NH+](CC)C[C@H](C)NC(=O)c1cc(=O)c2cc(Br)ccc2[nH]1 ZINC000523662967 564671027 /nfs/dbraw/zinc/67/10/27/564671027.db2.gz IXHJHEXMTXYKKM-NSHDSACASA-N 1 0 380.286 2.751 20 0 GFADRO CC[NH+]1CCN([C@H](C)CNC(=O)C(C)(C)c2cccc(Br)c2)CC1 ZINC000523662116 564671239 /nfs/dbraw/zinc/67/12/39/564671239.db2.gz URGXYUZTOUEBNT-OAHLLOKOSA-N 1 0 396.373 2.869 20 0 GFADRO Cc1ccc(C[N@H+]2CC[C@H](CN(C)C(=O)CS(=O)(=O)C(C)(C)C)C2)s1 ZINC000552002633 564672647 /nfs/dbraw/zinc/67/26/47/564672647.db2.gz XFMRIKMAGKOMDC-OAHLLOKOSA-N 1 0 386.583 2.550 20 0 GFADRO C[C@@H]([NH2+][C@@H](CO)C1CCOCC1)c1ccccc1I ZINC000574428744 564673322 /nfs/dbraw/zinc/67/33/22/564673322.db2.gz CWQJFUJUNQXGML-ABAIWWIYSA-N 1 0 375.250 2.729 20 0 GFADRO Cc1cc(C)c(Br)c(C(=O)N2C[C@@H](C[NH3+])C3(C2)CCOCC3)c1 ZINC000574451855 564674550 /nfs/dbraw/zinc/67/45/50/564674550.db2.gz QJVORVZHPJSTMS-CQSZACIVSA-N 1 0 381.314 2.893 20 0 GFADRO CCC[C@H](C)C(=O)NCC[NH2+]Cc1cc(Br)c2c(c1)OCCO2 ZINC000552071480 564674950 /nfs/dbraw/zinc/67/49/50/564674950.db2.gz IQCJHGRJWGYUAD-LBPRGKRZSA-N 1 0 385.302 2.862 20 0 GFADRO C[C@H](CCc1ccc(F)cc1F)[NH2+]C[C@@H](O)CS(=O)(=O)c1cccs1 ZINC000552063675 564675174 /nfs/dbraw/zinc/67/51/74/564675174.db2.gz IDXWZDDMRLAUFP-IUODEOHRSA-N 1 0 389.489 2.772 20 0 GFADRO Cc1cc(S(=O)(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)ccc1Br ZINC000487120105 564676479 /nfs/dbraw/zinc/67/64/79/564676479.db2.gz OIQPZRAHJRJWDL-OLZOCXBDSA-N 1 0 375.332 2.909 20 0 GFADRO COCC1(CNC(=O)c2cc3ccc(Br)cc3[nH]2)CC[NH2+]CC1 ZINC000574527543 564676854 /nfs/dbraw/zinc/67/68/54/564676854.db2.gz FUAYLFIFNJJBNT-UHFFFAOYSA-N 1 0 380.286 2.676 20 0 GFADRO C[C@H](Cc1ccc(Br)cc1)NC(=O)NC[C@@H]1CCC[N@@H+]1CCCO ZINC000457873941 564677638 /nfs/dbraw/zinc/67/76/38/564677638.db2.gz LUIZXKGALNRRRR-PBHICJAKSA-N 1 0 398.345 2.526 20 0 GFADRO CC[C@H]1CN(CC[NH2+]Cc2cn(-c3ccc(Cl)c(Cl)c3)nn2)CCO1 ZINC000487171655 564678168 /nfs/dbraw/zinc/67/81/68/564678168.db2.gz MBPFHWKTOIHMJK-HNNXBMFYSA-N 1 0 384.311 2.775 20 0 GFADRO CC[C@H]1CN(CC[NH2+]Cc2cnc3c(C)cc(Br)cn23)CCO1 ZINC000487160048 564678462 /nfs/dbraw/zinc/67/84/62/564678462.db2.gz PASMXARYAIEZGD-INIZCTEOSA-N 1 0 381.318 2.606 20 0 GFADRO O=C(NC[C@H]1CCC[N@H+]1CCCO)N[C@H]1CCc2cc(Br)ccc21 ZINC000457935271 564680590 /nfs/dbraw/zinc/68/05/90/564680590.db2.gz DVAJNRHTIAEQIX-WBVHZDCISA-N 1 0 396.329 2.582 20 0 GFADRO C[NH+](C)C1(CNC(=O)N[C@H]2C[C@H]2c2cccc(Br)c2)CCOCC1 ZINC000524359091 564680597 /nfs/dbraw/zinc/68/05/97/564680597.db2.gz VEIDMTVCHXGSKT-HOTGVXAUSA-N 1 0 396.329 2.715 20 0 GFADRO C[C@@H](Cc1cccc(Br)c1)NC(=O)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000457993001 564683172 /nfs/dbraw/zinc/68/31/72/564683172.db2.gz KGZZFSYQLQIYCB-YOEHRIQHSA-N 1 0 398.345 2.526 20 0 GFADRO Cc1c(Br)cccc1NCC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000487359126 564684412 /nfs/dbraw/zinc/68/44/12/564684412.db2.gz DCKCURGCICTGSE-HNNXBMFYSA-N 1 0 398.345 2.642 20 0 GFADRO CC1CC[NH+](C[C@H](O)CNC(=O)NCCc2cc(Cl)cc(Cl)c2)CC1 ZINC000524619224 564684428 /nfs/dbraw/zinc/68/44/28/564684428.db2.gz OJNLZIKPFLFMDC-QGZVFWFLSA-N 1 0 388.339 2.928 20 0 GFADRO CC(C)CCOCC[NH2+]CCS(=O)(=O)c1cccc(Br)c1 ZINC000574684304 564684873 /nfs/dbraw/zinc/68/48/73/564684873.db2.gz KTCINTQYGBPVHA-UHFFFAOYSA-N 1 0 378.332 2.875 20 0 GFADRO CN(C(=O)C1=Cc2cc(Br)ccc2OC1)[C@H]1C[NH+]2CCC1CC2 ZINC000524695256 564685560 /nfs/dbraw/zinc/68/55/60/564685560.db2.gz YHCFKIRFMJMBTQ-INIZCTEOSA-N 1 0 377.282 2.778 20 0 GFADRO C[C@H]([NH2+]CCCNS(=O)(=O)c1ccccc1Br)C1CCC1 ZINC000552318229 564686534 /nfs/dbraw/zinc/68/65/34/564686534.db2.gz TZRNIDPKQIHKGM-LBPRGKRZSA-N 1 0 375.332 2.896 20 0 GFADRO CC[C@H]1[NH2+]CC[C@H]1C(=O)N(CCOC)Cc1sccc1Br ZINC000574754542 564687970 /nfs/dbraw/zinc/68/79/70/564687970.db2.gz DYHIONAYIIBLDE-DGCLKSJQSA-N 1 0 375.332 2.874 20 0 GFADRO CC(C)C[C@H](Cc1cccc(Br)c1)C(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000552439377 564691719 /nfs/dbraw/zinc/69/17/19/564691719.db2.gz JJGVBNLXNIEEAA-NJAFHUGGSA-N 1 0 397.357 2.787 20 0 GFADRO COCCC[N@H+](C)CCNC(=O)c1cc2c([nH]1)c(Br)ccc2OC ZINC000525092782 564693020 /nfs/dbraw/zinc/69/30/20/564693020.db2.gz GYAKXGLJLRPEJA-UHFFFAOYSA-N 1 0 398.301 2.637 20 0 GFADRO COC(=O)CN(C)C(=O)CC[N@H+](Cc1ccc(Br)cc1)C(C)C ZINC000525119427 564693033 /nfs/dbraw/zinc/69/30/33/564693033.db2.gz FMAWJWWDAXKEKF-UHFFFAOYSA-N 1 0 385.302 2.681 20 0 GFADRO COC(=O)c1cc(Br)cc(C(=O)NCC[C@@H]2CCC[N@H+](C)C2)c1 ZINC000458207403 564693785 /nfs/dbraw/zinc/69/37/85/564693785.db2.gz NCVFSKOYGRZWAM-LBPRGKRZSA-N 1 0 383.286 2.697 20 0 GFADRO C[NH+](C)CCN(Cc1ccsc1)C(=O)CCCNC(=O)c1ccsc1 ZINC000458205008 564693797 /nfs/dbraw/zinc/69/37/97/564693797.db2.gz RFYWFCYNXQIWNK-UHFFFAOYSA-N 1 0 379.551 2.910 20 0 GFADRO COc1ccc(CNC(=O)NCC[C@H]2CCC[N@H+](C)C2)cc1Br ZINC000458232464 564694269 /nfs/dbraw/zinc/69/42/69/564694269.db2.gz SOWIWDOMBBURQY-CYBMUJFWSA-N 1 0 384.318 2.989 20 0 GFADRO CCC[C@@H]([NH2+]C(C)C)C(=O)NCC(=O)Nc1ccc(Br)cc1C ZINC000487758001 564695924 /nfs/dbraw/zinc/69/59/24/564695924.db2.gz WCDMRMSEEJYVCQ-OAHLLOKOSA-N 1 0 384.318 2.979 20 0 GFADRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NCc1cn(-c2ccccc2Br)nn1 ZINC000552561925 564696024 /nfs/dbraw/zinc/69/60/24/564696024.db2.gz IPPXHCHQDUNDDE-MLGOLLRUSA-N 1 0 376.302 2.602 20 0 GFADRO C[NH+](C)CCOc1ccc(NC(=O)c2c[nH]c(=O)c(Br)c2)cc1F ZINC000458273179 564696311 /nfs/dbraw/zinc/69/63/11/564696311.db2.gz AFNHANSTRWFCBU-UHFFFAOYSA-N 1 0 398.232 2.882 20 0 GFADRO CC(C)(C)c1ccc(S(=O)(=O)CC[NH2+][C@@H]2CCCC(F)(F)[C@H]2O)cc1 ZINC000575401256 564698301 /nfs/dbraw/zinc/69/83/01/564698301.db2.gz PSAVIUPZJSGCQS-CVEARBPZSA-N 1 0 375.481 2.896 20 0 GFADRO Cc1cc(Cl)ccc1CN1CCN(C(=O)C[N@@H+](C)[C@@H]2CCSC2)CC1 ZINC000552691133 564698286 /nfs/dbraw/zinc/69/82/86/564698286.db2.gz GGXXGUNZBVDLRI-GOSISDBHSA-N 1 0 381.973 2.730 20 0 GFADRO CC[NH+](CC)C[C@@H](C)NC(=O)Nc1ccc(NS(C)(=O)=O)c(Cl)c1 ZINC000525421419 564700766 /nfs/dbraw/zinc/70/07/66/564700766.db2.gz OTWOIBLBCMIVPQ-LLVKDONJSA-N 1 0 376.910 2.563 20 0 GFADRO CCS(=O)(=O)NCCCN1CC[C@@](F)(c2cccc(C(F)(F)F)c2)C1 ZINC000575764045 564703769 /nfs/dbraw/zinc/70/37/69/564703769.db2.gz OSPZEQDHCQNRPZ-HNNXBMFYSA-N 1 0 382.423 2.905 20 0 GFADRO Cc1cc(Br)cn2cc(CNC(=O)NC[C@@H]3CC[C@H](C)O3)nc12 ZINC000458648534 564709672 /nfs/dbraw/zinc/70/96/72/564709672.db2.gz HQEDPZWAWWPRGV-FZMZJTMJSA-N 1 0 381.274 2.772 20 0 GFADRO Cc1nn(C)c(C)c1CC[NH2+]CCC(=O)Nc1cccc(Br)c1 ZINC000576265111 564710198 /nfs/dbraw/zinc/71/01/98/564710198.db2.gz XVRLHRDIUANMNG-UHFFFAOYSA-N 1 0 379.302 2.960 20 0 GFADRO C[C@@H]1CC2(CN1S(=O)(=O)c1cc(F)ccc1OC(F)F)CC[NH2+]CC2 ZINC000576269967 564710499 /nfs/dbraw/zinc/71/04/99/564710499.db2.gz IFKRBXWLYLIWPH-LLVKDONJSA-N 1 0 378.416 2.580 20 0 GFADRO Cc1nn(C)c(C)c1C[C@H](C)[NH2+]C[C@@H](O)COc1ccc(Br)cc1 ZINC000576271726 564711079 /nfs/dbraw/zinc/71/10/79/564711079.db2.gz JBXSKBASOLSRAR-BLLLJJGKSA-N 1 0 396.329 2.760 20 0 GFADRO O=C(CC[NH2+][C@H]1CCO[C@]2(CCOC2)C1)Nc1ccc(Br)cc1 ZINC000576272504 564711318 /nfs/dbraw/zinc/71/13/18/564711318.db2.gz ZXYWALKBQVNGOO-DOTOQJQBSA-N 1 0 383.286 2.705 20 0 GFADRO CC(=O)Nc1ccc(OC[C@H](O)C[NH2+]Cc2ccc(Br)s2)cc1 ZINC000553199500 564711765 /nfs/dbraw/zinc/71/17/65/564711765.db2.gz FXFNHVCQVLHIRN-CYBMUJFWSA-N 1 0 399.310 2.999 20 0 GFADRO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCc1ccc(I)c(Cl)c1 ZINC000488558630 564714260 /nfs/dbraw/zinc/71/42/60/564714260.db2.gz HGKSRPMVZWYMNG-MWLCHTKSSA-N 1 0 392.668 2.759 20 0 GFADRO CSC1(CNC(=O)NC[C@H]2CSc3ccccc3O2)CC[NH+](C)CC1 ZINC000576513240 564714929 /nfs/dbraw/zinc/71/49/29/564714929.db2.gz AZZBARUXEJTVQK-AWEZNQCLSA-N 1 0 381.567 2.666 20 0 GFADRO O=C(NC[C@H]1CCC[N@H+]1CCCO)N[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000458735534 564715453 /nfs/dbraw/zinc/71/54/53/564715453.db2.gz OIFDMMHOAJKGLX-UKPHBRMFSA-N 1 0 386.323 2.995 20 0 GFADRO O=S(=O)(c1ccc(Br)cc1)N1CCC[C@H]([NH2+]CC2(F)CC2)C1 ZINC000525995795 564715816 /nfs/dbraw/zinc/71/58/16/564715816.db2.gz QLQZLFIDLIKQLD-ZDUSSCGKSA-N 1 0 391.306 2.694 20 0 GFADRO C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)c1cnn(-c2ccc(Br)cc2)c1 ZINC000576816276 564720861 /nfs/dbraw/zinc/72/08/61/564720861.db2.gz UAQVJJOKBNGZRW-XHBSWPGZSA-N 1 0 377.286 2.751 20 0 GFADRO CCOc1c(Cl)cc(NC(=O)C(=O)N2CCC(CC[NH3+])CC2)cc1Cl ZINC000576999471 564722316 /nfs/dbraw/zinc/72/23/16/564722316.db2.gz ZVMQWFCLNZOKNZ-UHFFFAOYSA-N 1 0 388.295 2.918 20 0 GFADRO CC[NH2+]CCCNC(=O)N(CCNC(C)=O)Cc1ccc(Cl)cc1Cl ZINC000577047901 564723428 /nfs/dbraw/zinc/72/34/28/564723428.db2.gz SXBMYULMMNYSKT-UHFFFAOYSA-N 1 0 389.327 2.641 20 0 GFADRO O=S(=O)(c1c(Cl)cccc1C(F)(F)F)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000577108647 564725501 /nfs/dbraw/zinc/72/55/01/564725501.db2.gz BUGCGKCXJZGVEQ-PHIMTYICSA-N 1 0 382.835 2.979 20 0 GFADRO C[C@@H](CNC(=O)N1CCC[C@@H](Nc2cccc(Br)c2)C1)[NH+](C)C ZINC000459042157 564729423 /nfs/dbraw/zinc/72/94/23/564729423.db2.gz OUMHCWAJBZEZQD-XJKSGUPXSA-N 1 0 383.334 2.985 20 0 GFADRO C[NH+](C)CC1CCN(C(=O)NCc2nc3c(cccc3Br)[nH]2)CC1 ZINC000459187634 564735127 /nfs/dbraw/zinc/73/51/27/564735127.db2.gz CENCYDLZCSJUNH-UHFFFAOYSA-N 1 0 394.317 2.809 20 0 GFADRO COCC[NH2+]C1CCN(Cc2cn(-c3cccc(Cl)c3Cl)nn2)CC1 ZINC000577519286 564735939 /nfs/dbraw/zinc/73/59/39/564735939.db2.gz FNOZGPOTEABVJW-UHFFFAOYSA-N 1 0 384.311 2.775 20 0 GFADRO CC(C)[C@H]1CN(C(=O)c2cc(F)ccc2I)CC[N@@H+]1C ZINC000489342028 564735900 /nfs/dbraw/zinc/73/59/00/564735900.db2.gz VGIAUROTWQEHEX-CQSZACIVSA-N 1 0 390.240 2.843 20 0 GFADRO COCC[N@H+](C[C@H](O)COc1c(Cl)cccc1Cl)[C@H]1CCO[C@@H]1C ZINC000489403278 564738828 /nfs/dbraw/zinc/73/88/28/564738828.db2.gz KWBVZRHUQRYHBC-WWGRRREGSA-N 1 0 378.296 2.859 20 0 GFADRO C[N@@H+]1CCC[C@H](CCNC(=O)NCCNc2cccc(Br)c2)C1 ZINC000459305400 564738917 /nfs/dbraw/zinc/73/89/17/564738917.db2.gz LOANYMLSSQWIMS-CQSZACIVSA-N 1 0 383.334 2.892 20 0 GFADRO CCO[C@@H]1C[C@@H]([NH2+]CCNC(=O)c2cccc(Br)c2)[C@H]1SC ZINC000459408449 564743606 /nfs/dbraw/zinc/74/36/06/564743606.db2.gz GKZFGPWYOCWRKQ-RBSFLKMASA-N 1 0 387.343 2.678 20 0 GFADRO C[C@H](CO)[N@H+](Cc1cc(=O)n2cc(Br)ccc2n1)C1CCCC1 ZINC000553910776 564744246 /nfs/dbraw/zinc/74/42/46/564744246.db2.gz UAESARWCGWPUGJ-GFCCVEGCSA-N 1 0 380.286 2.582 20 0 GFADRO CC[C@H]1Cc2c(Br)cccc2CN1CCN1C(=O)N[C@H](C)C1=O ZINC000459432579 564744945 /nfs/dbraw/zinc/74/49/45/564744945.db2.gz SAULUPCHORACAY-YPMHNXCESA-N 1 0 380.286 2.526 20 0 GFADRO COCCN(Cc1sccc1Br)C(=O)NCC1CC[NH2+]CC1 ZINC000579211763 564745384 /nfs/dbraw/zinc/74/53/84/564745384.db2.gz NYBOYIIPTRLTTB-UHFFFAOYSA-N 1 0 390.347 2.668 20 0 GFADRO CC(=O)NCC[C@@H]1CCC[N@H+](C[C@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000553960772 564745945 /nfs/dbraw/zinc/74/59/45/564745945.db2.gz KOLYMSNUXHWPER-HOCLYGCPSA-N 1 0 389.323 2.971 20 0 GFADRO C[C@H](NC(=O)N1CCO[C@H](c2cccc(Br)c2)C1)[C@H]1CCC[NH2+]C1 ZINC000579333631 564747050 /nfs/dbraw/zinc/74/70/50/564747050.db2.gz RAESFRFFTZSPCB-QRTARXTBSA-N 1 0 396.329 2.920 20 0 GFADRO Cc1cc(N2CCC[C@@H]([NH2+]Cc3cccc(O)c3Br)C2)n(C)n1 ZINC000459511276 564747994 /nfs/dbraw/zinc/74/79/94/564747994.db2.gz PUIMQKKJBWVQRH-CQSZACIVSA-N 1 0 379.302 2.955 20 0 GFADRO CCn1nncc1CN(CCc1ccc(Cl)cc1)C[C@@H](O)C(F)(F)F ZINC000459540954 564748929 /nfs/dbraw/zinc/74/89/29/564748929.db2.gz VXQQZJXQVDPNLB-OAHLLOKOSA-N 1 0 376.810 2.919 20 0 GFADRO C[NH+](C)C[C@@H]1CCN(S(=O)(=O)c2cc(Br)cc3cccnc32)C1 ZINC000579627595 564749223 /nfs/dbraw/zinc/74/92/23/564749223.db2.gz BMMCYDUVENNSKZ-LBPRGKRZSA-N 1 0 398.326 2.570 20 0 GFADRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1cccc(I)c1 ZINC000579629079 564749624 /nfs/dbraw/zinc/74/96/24/564749624.db2.gz RCOBPVSYQSSALL-SWLSCSKDSA-N 1 0 384.261 2.990 20 0 GFADRO O[C@H](C[NH2+][C@H]1CC[C@H]1C1CC1)COc1ccc(I)cc1 ZINC000579628531 564749639 /nfs/dbraw/zinc/74/96/39/564749639.db2.gz VWIHAYRTOQJWNO-KBMXLJTQSA-N 1 0 387.261 2.809 20 0 GFADRO [NH3+]C1CCC(OCC(=O)N2CCc3ccc(F)c(Br)c3C2)CC1 ZINC000527616628 564750283 /nfs/dbraw/zinc/75/02/83/564750283.db2.gz IYRPZZUUMOQODK-UHFFFAOYSA-N 1 0 385.277 2.759 20 0 GFADRO Brc1ccc(-c2n[nH]cc2C[NH2+]CCc2nnc3n2CCC3)s1 ZINC000527636817 564751920 /nfs/dbraw/zinc/75/19/20/564751920.db2.gz XUYIFQSCMGRYQC-UHFFFAOYSA-N 1 0 393.314 2.771 20 0 GFADRO Brc1ccc(-c2n[nH]cc2C[NH2+]CCCN2CCOCC2)s1 ZINC000527628428 564752154 /nfs/dbraw/zinc/75/21/54/564752154.db2.gz AGVRGNHRVJCNIA-UHFFFAOYSA-N 1 0 385.331 2.713 20 0 GFADRO CC(C)[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000554142753 564752306 /nfs/dbraw/zinc/75/23/06/564752306.db2.gz MLUZLGIJXSWMDF-QAPCUYQASA-N 1 0 383.945 2.710 20 0 GFADRO C[C@H](CNC(=O)N1CC[C@@]2(CC[NH2+]C2)C1)Oc1cccc(Br)c1 ZINC000579814843 564752319 /nfs/dbraw/zinc/75/23/19/564752319.db2.gz LBNQLRVGWQYRTP-CXAGYDPISA-N 1 0 382.302 2.611 20 0 GFADRO C[NH+](C)[C@H]1CCCN(S(=O)(=O)c2cccc(OC(F)(F)F)c2F)CC1 ZINC000489801113 564753446 /nfs/dbraw/zinc/75/34/46/564753446.db2.gz CBPJDQFMMGDLPI-NSHDSACASA-N 1 0 384.395 2.829 20 0 GFADRO CS(=O)(=O)N[C@@H]1CCC[C@H]1C[NH2+]Cc1ccc(Br)c(F)c1F ZINC000527672309 564754522 /nfs/dbraw/zinc/75/45/22/564754522.db2.gz HKVLYPFCYIVACQ-JOYOIKCWSA-N 1 0 397.285 2.535 20 0 GFADRO Cc1cc(Br)c(C[NH2+]C[C@]2(O)CCOC2)cc1Br ZINC000527688131 564755329 /nfs/dbraw/zinc/75/53/29/564755329.db2.gz SKWDADKWKABTQV-CYBMUJFWSA-N 1 0 379.092 2.761 20 0 GFADRO CC(C)(C)n1cc(C[NH2+]C[C@H](CO)Cc2cc(F)cc(Br)c2)nn1 ZINC000459686531 564756710 /nfs/dbraw/zinc/75/67/10/564756710.db2.gz BXZXHXKSOVMQDZ-CYBMUJFWSA-N 1 0 399.308 2.876 20 0 GFADRO NC(=O)c1ccc(C[NH2+]C[C@@H](CO)Cc2cc(F)cc(Br)c2)cc1 ZINC000459701874 564757355 /nfs/dbraw/zinc/75/73/55/564757355.db2.gz NQMPTWSPWQFUHS-AWEZNQCLSA-N 1 0 395.272 2.628 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]CC[C@@H]1CCCOC1 ZINC000527735556 564758229 /nfs/dbraw/zinc/75/82/29/564758229.db2.gz DQUIEBPYRCTPAS-KBPBESRZSA-N 1 0 399.329 2.869 20 0 GFADRO CC[NH+]1CCC(N(C)C(=O)Cc2ccc(I)cc2)CC1 ZINC000489989567 564759416 /nfs/dbraw/zinc/75/94/16/564759416.db2.gz ZHCQQTZIHUYGHY-UHFFFAOYSA-N 1 0 386.277 2.776 20 0 GFADRO CCCOc1c(Br)cc(C[NH2+]C[C@H](O)[C@@H]2CCCO2)cc1OC ZINC000527758207 564759429 /nfs/dbraw/zinc/75/94/29/564759429.db2.gz JABJJAOFOBSKIK-GJZGRUSLSA-N 1 0 388.302 2.876 20 0 GFADRO C[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000580462982 564760077 /nfs/dbraw/zinc/76/00/77/564760077.db2.gz YBXUSIWLADMGLU-RYUDHWBXSA-N 1 0 386.323 2.640 20 0 GFADRO C[NH+](C)CCNC(=O)c1ccc(NCc2ncc(Br)s2)cc1 ZINC000527766677 564760473 /nfs/dbraw/zinc/76/04/73/564760473.db2.gz DNXBVJGFIKZAPS-UHFFFAOYSA-N 1 0 383.315 2.809 20 0 GFADRO CC[C@@H]1OCC[C@H]1[NH2+][C@@H](C)C(=O)Nc1cccc(I)c1 ZINC000459784130 564760533 /nfs/dbraw/zinc/76/05/33/564760533.db2.gz WOUFGQXQNBWLKR-GDLCADMTSA-N 1 0 388.249 2.775 20 0 GFADRO COc1ccc(C[NH2+][C@@]2(CO)COc3ccccc3C2)cc1Br ZINC000527768235 564760700 /nfs/dbraw/zinc/76/07/00/564760700.db2.gz JEDICGVSBFBGIE-SFHVURJKSA-N 1 0 378.266 2.914 20 0 GFADRO COc1ccc(CN2CC[C@H]2C[NH2+]Cc2ccc(S(C)(=O)=O)s2)cc1 ZINC000527775469 564760824 /nfs/dbraw/zinc/76/08/24/564760824.db2.gz WFUHGOXOQNDDNI-HNNXBMFYSA-N 1 0 380.535 2.524 20 0 GFADRO C[N@@H+]1CCC[C@@H](CNC(=O)NCc2ccc(Br)c(F)c2F)C1 ZINC000527799606 564761257 /nfs/dbraw/zinc/76/12/57/564761257.db2.gz KNQZHTOHVWFNDM-JTQLQIEISA-N 1 0 376.245 2.868 20 0 GFADRO NS(=O)(=O)c1ccc(NC2CC[NH+](C3CCC3)CC2)cc1C(F)(F)F ZINC000580517007 564762386 /nfs/dbraw/zinc/76/23/86/564762386.db2.gz FOIAGSUWFPUSCB-UHFFFAOYSA-N 1 0 377.432 2.782 20 0 GFADRO Cc1c([C@H](C)[NH2+]C[C@@H](O)[C@H]2CCCO2)nnn1-c1cccc(Br)c1 ZINC000527949998 564765126 /nfs/dbraw/zinc/76/51/26/564765126.db2.gz CUUZOHCVBIKUCT-IUIKQTSFSA-N 1 0 395.301 2.529 20 0 GFADRO CC[NH+]1CCN(Cc2ccc(NC(=O)[C@H]3C[C@@]3(C)Br)cc2)CC1 ZINC000527941754 564765164 /nfs/dbraw/zinc/76/51/64/564765164.db2.gz POONCUBBIRUFLB-SJLPKXTDSA-N 1 0 380.330 2.936 20 0 GFADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]CCc1nn(C)c2ccccc12 ZINC000580628718 564766801 /nfs/dbraw/zinc/76/68/01/564766801.db2.gz FPLKHCNLQAMODB-CYBMUJFWSA-N 1 0 389.297 2.718 20 0 GFADRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)CNC(=O)c3ccc(Cl)cc3Cl)C2)C1 ZINC000554599541 564767727 /nfs/dbraw/zinc/76/77/27/564767727.db2.gz PCXPOLZJLAGVMQ-GOSISDBHSA-N 1 0 384.307 2.668 20 0 GFADRO CCOc1cc(C[NH2+][C@@H](CO)C2CCOCC2)cc(Br)c1OC ZINC000554644532 564768211 /nfs/dbraw/zinc/76/82/11/564768211.db2.gz QPESUBWYMZUNAR-HNNXBMFYSA-N 1 0 388.302 2.734 20 0 GFADRO O=S(=O)(c1ccc(C(F)(F)F)s1)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000528060994 564768931 /nfs/dbraw/zinc/76/89/31/564768931.db2.gz PARGEEWVYLHIKW-GFCCVEGCSA-N 1 0 398.472 2.546 20 0 GFADRO CC[NH+](CC)CCOCCNC(=O)Nc1ccc(OC)cc1Br ZINC000460130275 564770528 /nfs/dbraw/zinc/77/05/28/564770528.db2.gz VAHSOVCMGHTWFD-UHFFFAOYSA-N 1 0 388.306 2.938 20 0 GFADRO CN(C)CC[N@H+](C)CCCN(C)C(=O)NCc1ccc(Br)s1 ZINC000460130698 564770738 /nfs/dbraw/zinc/77/07/38/564770738.db2.gz FPCBQKMHHRQFDX-UHFFFAOYSA-N 1 0 391.379 2.536 20 0 GFADRO CC(=O)NCC[N@@H+](Cc1ccc(Br)s1)C[C@@H](O)C(C)(C)C ZINC000554741021 564772120 /nfs/dbraw/zinc/77/21/20/564772120.db2.gz GHFKMDFCVJNJHH-CYBMUJFWSA-N 1 0 377.348 2.856 20 0 GFADRO CCn1c(-c2cc(Br)cn2C)nnc1N1C[C@@H](C)[N@H+](CC)C[C@H]1C ZINC000460241559 564772560 /nfs/dbraw/zinc/77/25/60/564772560.db2.gz ZIEZBQSHHIDJRZ-CHWSQXEVSA-N 1 0 395.349 2.985 20 0 GFADRO COC(=O)c1cc(C[N@H+](C)[C@H](CO)c2cccc(Br)c2)cn1C ZINC000554856133 564775662 /nfs/dbraw/zinc/77/56/62/564775662.db2.gz JUBZEVDBCBMWHD-MRXNPFEDSA-N 1 0 381.270 2.740 20 0 GFADRO CC(=O)Nc1ccc(C[NH2+]C[C@@H](O)COc2c(Cl)cccc2Cl)cn1 ZINC000580888348 564778272 /nfs/dbraw/zinc/77/82/72/564778272.db2.gz KKNBBGLVSXQTNZ-CYBMUJFWSA-N 1 0 384.263 2.876 20 0 GFADRO COc1ccc(Br)cc1CC(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000460679682 564779460 /nfs/dbraw/zinc/77/94/60/564779460.db2.gz VWQQJFYYLWUUHK-OKILXGFUSA-N 1 0 399.329 2.616 20 0 GFADRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)N1CC=C(c2ccc(Cl)c(Cl)c2)CC1 ZINC000580952717 564781451 /nfs/dbraw/zinc/78/14/51/564781451.db2.gz QNHXNNNIZRUILL-VXGBXAGGSA-N 1 0 384.307 2.851 20 0 GFADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)[C@H]1C[C@]12CCOC2 ZINC000460983478 564787585 /nfs/dbraw/zinc/78/75/85/564787585.db2.gz SVDZCDVYVFYTGD-AEFFLSMTSA-N 1 0 381.314 2.766 20 0 GFADRO C[C@H]1C[C@@H](C[N@@H+]2CCCN(S(=O)(=O)c3ccc(Cl)s3)CC2)CCO1 ZINC000491115070 564787804 /nfs/dbraw/zinc/78/78/04/564787804.db2.gz XQINACXIKPKQGQ-KBPBESRZSA-N 1 0 392.974 2.913 20 0 GFADRO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000461038873 564788380 /nfs/dbraw/zinc/78/83/80/564788380.db2.gz SFRXVUBTMRLDTO-ZIAGYGMSSA-N 1 0 396.329 2.647 20 0 GFADRO O=S(=O)(c1ccc(F)c(Br)c1)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000581131704 564789457 /nfs/dbraw/zinc/78/94/57/564789457.db2.gz OLJOXJVMZLDTLR-RYUDHWBXSA-N 1 0 391.306 2.598 20 0 GFADRO C[C@@H](NC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1)c1ccc(Cl)cc1Cl ZINC000581186047 564791157 /nfs/dbraw/zinc/79/11/57/564791157.db2.gz LLSBJEGMUSSMJU-FUEDEBDSSA-N 1 0 382.295 2.924 20 0 GFADRO CC(C)(CNC(=O)NCCCn1cc(Br)cn1)[NH+]1CCCCC1 ZINC000581209299 564792095 /nfs/dbraw/zinc/79/20/95/564792095.db2.gz MCGCMOQOHDVCKB-UHFFFAOYSA-N 1 0 386.338 2.599 20 0 GFADRO COc1ccc2c(c1F)CC[C@@H]2[NH2+]CCNS(=O)(=O)c1ccc(C)s1 ZINC000581215608 564793586 /nfs/dbraw/zinc/79/35/86/564793586.db2.gz VGJSPILMDWZOGJ-AWEZNQCLSA-N 1 0 384.498 2.760 20 0 GFADRO COC(=O)c1cc(NC(=O)N2C[C@@H]([NH+](C)C)[C@@H](SC)C2)cc(Cl)c1F ZINC000555476481 564795436 /nfs/dbraw/zinc/79/54/36/564795436.db2.gz AKOQVFFOKIZHAP-OLZOCXBDSA-N 1 0 389.880 2.775 20 0 GFADRO O=C(NC[C@]1(O)C[NH+]2CCC1CC2)C1(c2c(Cl)cccc2Cl)CCC1 ZINC000581261750 564795545 /nfs/dbraw/zinc/79/55/45/564795545.db2.gz KLNWYOPGGYTDLL-IBGZPJMESA-N 1 0 383.319 2.988 20 0 GFADRO CC[C@H]([NH2+][C@@H]1CCc2cc(Br)cc(C)c21)C(=O)N1CCOCC1 ZINC000492044845 564797573 /nfs/dbraw/zinc/79/75/73/564797573.db2.gz KNWSZVLBKWPFQA-JKSUJKDBSA-N 1 0 381.314 2.972 20 0 GFADRO COCCN(Cc1scnc1C)C(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000491957291 564797712 /nfs/dbraw/zinc/79/77/12/564797712.db2.gz OGUWPRVQGJKTHR-CQSZACIVSA-N 1 0 382.555 2.974 20 0 GFADRO CS(=O)(=O)N1CCCC[C@H]1C[NH2+][C@H]1CCc2ccc(Br)cc21 ZINC000581361264 564799257 /nfs/dbraw/zinc/79/92/57/564799257.db2.gz RJNWPQRQJCGQMQ-HOCLYGCPSA-N 1 0 387.343 2.840 20 0 GFADRO COc1cc(C[NH2+]C[C@@H](OC)C2CC2)cc(I)c1OC ZINC000555621527 564799773 /nfs/dbraw/zinc/79/97/73/564799773.db2.gz DWKBMXPEMFYLQS-CQSZACIVSA-N 1 0 391.249 2.823 20 0 GFADRO COc1cc(NC(=O)N[C@@H]2CC[NH2+]C23CCC3)cc(OC)c1Br ZINC000528684760 564800953 /nfs/dbraw/zinc/80/09/53/564800953.db2.gz IRBLMUMEMIFQEX-CYBMUJFWSA-N 1 0 384.274 2.872 20 0 GFADRO Cc1nc(NC(=O)NC[C@H]2COCC[NH2+]2)sc1Cc1ccccc1Cl ZINC000528695424 564801551 /nfs/dbraw/zinc/80/15/51/564801551.db2.gz QMSYDLHKHBPSAM-ZDUSSCGKSA-N 1 0 380.901 2.806 20 0 GFADRO O=C(NC[C@@H]1C[NH2+]CCCO1)Nc1cc(Cl)c(Br)cc1F ZINC000528695342 564801745 /nfs/dbraw/zinc/80/17/45/564801745.db2.gz ATSXHCWAQAVRNM-QMMMGPOBSA-N 1 0 380.645 2.742 20 0 GFADRO C[C@H](NC(=O)C(=O)N(C)CC[NH+]1CCCC1)c1cc(F)c(Cl)cc1Cl ZINC000555695990 564802156 /nfs/dbraw/zinc/80/21/56/564802156.db2.gz LOGIIUNYQXJZKF-NSHDSACASA-N 1 0 390.286 2.864 20 0 GFADRO C[C@@H](NC(=O)NC[C@H]1[N@H+](C)CCCC1(C)C)c1ncc(Br)cn1 ZINC000555740817 564803535 /nfs/dbraw/zinc/80/35/35/564803535.db2.gz DKNVYJIGYXUANO-DGCLKSJQSA-N 1 0 384.322 2.720 20 0 GFADRO CCN(Cc1ccc(Cl)s1)C(=O)C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000555753315 564804067 /nfs/dbraw/zinc/80/40/67/564804067.db2.gz SYPRQLWBLFAHPA-UHFFFAOYSA-N 1 0 385.961 2.988 20 0 GFADRO COCCOc1c(Cl)cc(S(=O)(=O)N2CC[C@H]([NH3+])C[C@H]2C)cc1Cl ZINC000581496738 564805088 /nfs/dbraw/zinc/80/50/88/564805088.db2.gz WYFCOLOTZMCOQY-MNOVXSKESA-N 1 0 397.324 2.519 20 0 GFADRO CC[C@@H]([NH3+])CNS(=O)(=O)c1cc(Br)c(Cl)cc1Cl ZINC000581607549 564809870 /nfs/dbraw/zinc/80/98/70/564809870.db2.gz IHZYHRZTERKICJ-ZCFIWIBFSA-N 1 0 376.103 2.772 20 0 GFADRO O=C(CC[NH2+]C[C@H](CO)Cc1ccc(Br)cc1)Nc1cccnc1 ZINC000581607453 564810057 /nfs/dbraw/zinc/81/00/57/564810057.db2.gz DCZDLBPPQHYWKM-OAHLLOKOSA-N 1 0 392.297 2.614 20 0 GFADRO C[C@@H]1CN(C(=O)c2ccsc2C(F)(F)F)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000528934488 564810239 /nfs/dbraw/zinc/81/02/39/564810239.db2.gz WZJKUKQRJBCURW-OCCSQVGLSA-N 1 0 375.460 2.865 20 0 GFADRO COC(=O)[C@@H](NC(=O)c1ccc2c[nH+]cn2c1)c1ccc(Br)cc1 ZINC000581614241 564811131 /nfs/dbraw/zinc/81/11/31/564811131.db2.gz XGNOIMCDJYSVHN-HNNXBMFYSA-N 1 0 388.221 2.741 20 0 GFADRO C[N@@H+]1CC[C@H]2CCN(S(=O)(=O)c3cccc(Cl)c3Br)[C@H]2C1 ZINC000493881062 564811750 /nfs/dbraw/zinc/81/17/50/564811750.db2.gz CIMVYNBOWRCHCN-JQWIXIFHSA-N 1 0 393.734 2.817 20 0 GFADRO O=S(=O)(Cc1ccc(Br)cc1)N1CCCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000581657824 564812692 /nfs/dbraw/zinc/81/26/92/564812692.db2.gz QITZALKFWVAIAB-CVEARBPZSA-N 1 0 387.343 2.885 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000581666309 564812930 /nfs/dbraw/zinc/81/29/30/564812930.db2.gz RTAXGHKLDAROLI-ZDUSSCGKSA-N 1 0 377.286 2.673 20 0 GFADRO COc1cc(C[NH2+][C@@H]2CCO[C@@H](c3nccn3C)C2)c(Br)cc1O ZINC000556156257 564814303 /nfs/dbraw/zinc/81/43/03/564814303.db2.gz UDXRHDIWYHXHRV-MLGOLLRUSA-N 1 0 396.285 2.907 20 0 GFADRO CCC[C@H]([NH2+]C(C)C)C(=O)NCCCNC(=O)c1cccc(Br)c1 ZINC000493985006 564814749 /nfs/dbraw/zinc/81/47/49/564814749.db2.gz WQKFJWOMXLTXDG-INIZCTEOSA-N 1 0 398.345 2.852 20 0 GFADRO O=C(COc1c(Cl)cccc1Cl)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000493973066 564815021 /nfs/dbraw/zinc/81/50/21/564815021.db2.gz IKGBKIXJFMXSPE-UHFFFAOYSA-N 1 0 386.323 2.612 20 0 GFADRO CCc1ccc(CNC(=O)C(=O)N(CC[NH+](C)C)Cc2cccs2)s1 ZINC000556259277 564815925 /nfs/dbraw/zinc/81/59/25/564815925.db2.gz BNZHJVZVWFWFOI-UHFFFAOYSA-N 1 0 379.551 2.579 20 0 GFADRO CSc1ccccc1NC(=O)CN(C)C(=O)C[N@@H+]1CCS[C@@H](C)CC1 ZINC000494151726 564818109 /nfs/dbraw/zinc/81/81/09/564818109.db2.gz DWMLQHZHMXGOSO-AWEZNQCLSA-N 1 0 381.567 2.633 20 0 GFADRO CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+]Cc2ccc(I)cc2)C1 ZINC000581766535 564818131 /nfs/dbraw/zinc/81/81/31/564818131.db2.gz GDTNRUKCEMMEEE-UONOGXRCSA-N 1 0 393.290 2.737 20 0 GFADRO CCC[C@H]([NH2+]C(C)C)C(=O)NCCCNC(=O)c1ccc(Br)cc1 ZINC000494135530 564818219 /nfs/dbraw/zinc/81/82/19/564818219.db2.gz YMUZJMIDHMKQSZ-INIZCTEOSA-N 1 0 398.345 2.852 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2S(=O)(=O)c1ccc(C(F)(F)F)s1 ZINC000462098602 564818891 /nfs/dbraw/zinc/81/88/91/564818891.db2.gz DEAWYNSSYPBYQO-IJLUTSLNSA-N 1 0 398.472 2.639 20 0 GFADRO C[C@H]1CC[N@H+](CC(=O)N2CCN(C(=O)c3c(Cl)cccc3Cl)CC2)C1 ZINC000581893364 564821559 /nfs/dbraw/zinc/82/15/59/564821559.db2.gz PVACCLUQUMBICD-ZDUSSCGKSA-N 1 0 384.307 2.620 20 0 GFADRO C[C@H](C[NH+]1CCOCC1)C(=O)NCc1cc(Cl)ccc1Br ZINC000582004813 564826387 /nfs/dbraw/zinc/82/63/87/564826387.db2.gz FHFPGRHLGXUUGN-LLVKDONJSA-N 1 0 375.694 2.687 20 0 GFADRO C[C@@H]1C[C@H]1[N@@H+]1CCN(C(=O)C(=O)Nc2cccc(Br)c2)C[C@@H](C)C1 ZINC000556483949 564828054 /nfs/dbraw/zinc/82/80/54/564828054.db2.gz YZURGMWGXRIDMG-WOSRLPQWSA-N 1 0 394.313 2.576 20 0 GFADRO O[C@H](COc1cc(F)cc(Br)c1)C[N@@H+]1CCC[C@H]1[C@H]1CCCO1 ZINC000556522370 564829068 /nfs/dbraw/zinc/82/90/68/564829068.db2.gz ZTOBVNKULLTRFC-BHYGNILZSA-N 1 0 388.277 2.971 20 0 GFADRO COc1cc(Br)c(CNC(=O)N[C@H]2CC[NH2+]C23CCC3)cc1OC ZINC000529308148 564829257 /nfs/dbraw/zinc/82/92/57/564829257.db2.gz ZZKGJGGCISLQAP-HNNXBMFYSA-N 1 0 398.301 2.550 20 0 GFADRO O=C(C[NH2+][C@@H]1CCO[C@H]1c1ccc(Cl)cc1)NCC(=O)c1cccs1 ZINC000494457958 564830557 /nfs/dbraw/zinc/83/05/57/564830557.db2.gz QVOLQGLDMDQJPT-KDOFPFPSSA-N 1 0 378.881 2.820 20 0 GFADRO C[C@H](CCn1cccn1)[NH2+]Cc1cc(C(F)(F)F)cc(S(C)(=O)=O)c1 ZINC000556576004 564830818 /nfs/dbraw/zinc/83/08/18/564830818.db2.gz LTBHGXBESRGCGX-GFCCVEGCSA-N 1 0 375.416 2.874 20 0 GFADRO O=C(N[C@H]1CC[NH2+]C12CCC2)N1CCc2c(Br)ccc(F)c2C1 ZINC000529362334 564830920 /nfs/dbraw/zinc/83/09/20/564830920.db2.gz ZXKTUSSTEBVEKH-HNNXBMFYSA-N 1 0 382.277 2.941 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCO[C@@H]1C1CC1)C(=O)N(C)Cc1ccc(Br)cc1 ZINC000494466787 564831449 /nfs/dbraw/zinc/83/14/49/564831449.db2.gz PVLIRFDTIBAEKD-JCURWCKSSA-N 1 0 381.314 2.953 20 0 GFADRO Cc1ccc(S(=O)(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)cc1Br ZINC000462337104 564834741 /nfs/dbraw/zinc/83/47/41/564834741.db2.gz SHCITDCHYCQTGX-AWEZNQCLSA-N 1 0 387.343 2.864 20 0 GFADRO Cc1cc(Br)cc2c1[C@H]([NH2+]C[C@H]1CCN(S(C)(=O)=O)C1)CC2 ZINC000494605967 564835379 /nfs/dbraw/zinc/83/53/79/564835379.db2.gz VSJIHRMPGAPHRA-IUODEOHRSA-N 1 0 387.343 2.616 20 0 GFADRO Cc1ccsc1[C@H](CO)[NH2+]CC(=O)N(Cc1ccco1)CC(F)(F)F ZINC000494629501 564836250 /nfs/dbraw/zinc/83/62/50/564836250.db2.gz HNGSLGMTTHMTQR-ZDUSSCGKSA-N 1 0 376.400 2.864 20 0 GFADRO OC[C@@H]([NH2+]C[C@@H](O)COc1ccc(Br)cc1)c1ccc(F)cc1 ZINC000582260688 564837864 /nfs/dbraw/zinc/83/78/64/564837864.db2.gz IYIBGHHKCAESCF-NVXWUHKLSA-N 1 0 384.245 2.651 20 0 GFADRO NC(=O)C[C@H]1CCC[N@H+](Cc2c[nH]nc2-c2ccc(Br)s2)C1 ZINC000529531774 564840571 /nfs/dbraw/zinc/84/05/71/564840571.db2.gz QPJITEJBRDAFJZ-SNVBAGLBSA-N 1 0 383.315 2.988 20 0 GFADRO COCC1(O)CC[NH+](Cc2c[nH]nc2-c2ccc(Br)s2)CC1 ZINC000529534175 564840906 /nfs/dbraw/zinc/84/09/06/564840906.db2.gz ZLYNXRDTOLAHNR-UHFFFAOYSA-N 1 0 386.315 2.874 20 0 GFADRO C[C@@H]1CCc2nc(C[NH2+]C3CCN(S(=O)(=O)C(C)(C)C)CC3)sc2C1 ZINC000494844909 564841911 /nfs/dbraw/zinc/84/19/11/564841911.db2.gz KEUMQKMXRFJTAQ-CYBMUJFWSA-N 1 0 385.599 2.950 20 0 GFADRO COc1ccc(Br)cc1C[C@H](CO)C[NH2+]Cc1ccc(F)cn1 ZINC000529594673 564844236 /nfs/dbraw/zinc/84/42/36/564844236.db2.gz FLMCAFWBKRTCQO-LBPRGKRZSA-N 1 0 383.261 2.933 20 0 GFADRO C[C@H]1C[NH+](CC2CCN(Cc3c(Br)cnn3C)CC2)C[C@H](C)O1 ZINC000494999679 564845380 /nfs/dbraw/zinc/84/53/80/564845380.db2.gz VGARWHCHBHQHAE-KBPBESRZSA-N 1 0 385.350 2.504 20 0 GFADRO CN1CCO[C@H](CSCc2nc(Cc3cccc(Br)c3)no2)C1 ZINC000582420058 564845544 /nfs/dbraw/zinc/84/55/44/564845544.db2.gz XRCAJJYWVIIXGG-AWEZNQCLSA-N 1 0 398.326 2.987 20 0 GFADRO C[C@@H]1C[C@H]([NH2+]C[C@H](O)COc2ccc(I)cc2)[C@H]1C ZINC000495083498 564849030 /nfs/dbraw/zinc/84/90/30/564849030.db2.gz XWGDZRBFHPIMOI-MPXAEWJHSA-N 1 0 375.250 2.665 20 0 GFADRO O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)[C@H](Oc1cccc(Br)c1)c1ccccc1 ZINC000495105898 564849219 /nfs/dbraw/zinc/84/92/19/564849219.db2.gz ULEREIAZXRXDFQ-VSZNYVQBSA-N 1 0 387.277 2.903 20 0 GFADRO O=C(C[NH2+]C1(c2ccc(Cl)c(Cl)c2)CC1)NCCCN1CCCC1=O ZINC000557031717 564851586 /nfs/dbraw/zinc/85/15/86/564851586.db2.gz HQRAHLNWFPONSX-UHFFFAOYSA-N 1 0 384.307 2.701 20 0 GFADRO Cc1ncc(C[NH2+][C@H]2CCN(c3ccc(Br)c(C)c3)C2=O)n1C ZINC000582557596 564852077 /nfs/dbraw/zinc/85/20/77/564852077.db2.gz NYFPCPZVIJGHPF-INIZCTEOSA-N 1 0 377.286 2.695 20 0 GFADRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1cc2c(c(Br)c1)OCO2 ZINC000557115817 564854374 /nfs/dbraw/zinc/85/43/74/564854374.db2.gz CVARWWJFQGXLKS-AAEUAGOBSA-N 1 0 381.270 2.877 20 0 GFADRO CC[NH+]1CCC(N2CCCN(S(=O)(=O)c3ccc(Cl)s3)CC2)CC1 ZINC000582640228 564855346 /nfs/dbraw/zinc/85/53/46/564855346.db2.gz DYFBUBMAPSODHP-UHFFFAOYSA-N 1 0 391.990 2.582 20 0 GFADRO CC1([NH+]2CCOCC2)CCN(C(=O)Cc2ccc(F)cc2Br)CC1 ZINC000529911025 564856220 /nfs/dbraw/zinc/85/62/20/564856220.db2.gz YWTBOTGMXIOTIG-UHFFFAOYSA-N 1 0 399.304 2.844 20 0 GFADRO CC1([NH+]2CCOCC2)CCN(C(=O)Cc2cc(Br)ccc2F)CC1 ZINC000529914067 564856866 /nfs/dbraw/zinc/85/68/66/564856866.db2.gz OOQKMBSXJVXOCL-UHFFFAOYSA-N 1 0 399.304 2.844 20 0 GFADRO C[C@H]1[C@H](NC(=O)NCc2cc(Br)cc3c2OCC3)CCC[N@@H+]1C ZINC000462713932 564857079 /nfs/dbraw/zinc/85/70/79/564857079.db2.gz JIKWHSDHCHPQOX-XHDPSFHLSA-N 1 0 382.302 2.666 20 0 GFADRO C[C@@]1(CNC(=O)N[C@@H]2CCN(c3ccc(Br)cc3)C2)CCC[NH2+]C1 ZINC000582714755 564857915 /nfs/dbraw/zinc/85/79/15/564857915.db2.gz DGDCUOIBWJKVIK-CRAIPNDOSA-N 1 0 395.345 2.717 20 0 GFADRO COC(=O)CCCN1CCC([NH2+]CCc2ccc(Br)cc2)CC1 ZINC000462792853 564859096 /nfs/dbraw/zinc/85/90/96/564859096.db2.gz SGVVPFFEVOQIST-UHFFFAOYSA-N 1 0 383.330 2.999 20 0 GFADRO O=S(=O)(c1ccc(OC(F)F)c(F)c1)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000557348076 564860434 /nfs/dbraw/zinc/86/04/34/564860434.db2.gz VVHGTNZGVGYXLS-RISCZKNCSA-N 1 0 378.416 2.580 20 0 GFADRO COCc1nn(C)cc1C(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000530031772 564860672 /nfs/dbraw/zinc/86/06/72/564860672.db2.gz CSKNRUJVTYQEMI-OAHLLOKOSA-N 1 0 385.295 2.906 20 0 GFADRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](Nc2cnn(C)c(=O)c2Br)C1 ZINC000496770937 564861737 /nfs/dbraw/zinc/86/17/37/564861737.db2.gz OAVBXPVOVWERGO-OCCSQVGLSA-N 1 0 377.286 2.790 20 0 GFADRO COCC[NH2+]C1CCN(C(=O)c2ccc(Cl)c(Br)c2)CC1 ZINC000582793374 564862562 /nfs/dbraw/zinc/86/25/62/564862562.db2.gz PLZBMFLEORYYIW-UHFFFAOYSA-N 1 0 375.694 2.943 20 0 GFADRO O=S1(=O)CCC(O)(C[NH2+]CC2(c3c(Cl)cccc3Cl)CCC2)CC1 ZINC000582841256 564864157 /nfs/dbraw/zinc/86/41/57/564864157.db2.gz CSTQXVNYXVZULM-UHFFFAOYSA-N 1 0 392.348 2.944 20 0 GFADRO CCN1CCN(C(=O)c2ncc(Br)cc2Br)[C@@H](C)C1 ZINC000557527485 564865879 /nfs/dbraw/zinc/86/58/79/564865879.db2.gz PRKJGRBKMHFJER-VIFPVBQESA-N 1 0 391.107 2.773 20 0 GFADRO C[C@@H]1C[N@H+](C)C[C@H]1c1nc(-c2n[nH]c(-c3cccc(Br)c3)n2)no1 ZINC000463056729 564867981 /nfs/dbraw/zinc/86/79/81/564867981.db2.gz XDMBUAFGKYJDFC-BXKDBHETSA-N 1 0 389.257 2.949 20 0 GFADRO COC(=O)CN(CCc1ccc(Cl)cc1Cl)CC[N@@H+]1CCCOCC1 ZINC000463099348 564869649 /nfs/dbraw/zinc/86/96/49/564869649.db2.gz QQVKPSLCUUXVQM-UHFFFAOYSA-N 1 0 389.323 2.733 20 0 GFADRO C[C@@H]1[C@H](c2ccc(Br)cc2)OCCN1CC[N@@H+]1CCCOCC1 ZINC000463113007 564869744 /nfs/dbraw/zinc/86/97/44/564869744.db2.gz NFUVSXATASWPOP-CRAIPNDOSA-N 1 0 383.330 2.933 20 0 GFADRO C[N@H+](Cc1ccccc1)C1CN(C(=O)c2cc(I)c[nH]2)C1 ZINC000557639516 564870457 /nfs/dbraw/zinc/87/04/57/564870457.db2.gz QMEGBRGQRZXDLA-UHFFFAOYSA-N 1 0 395.244 2.576 20 0 GFADRO Cc1nc(NC(=O)C[C@H](C)C2CC[NH2+]CC2)ccc1I ZINC000463142839 564871018 /nfs/dbraw/zinc/87/10/18/564871018.db2.gz GFYCRERCOYQJNE-JTQLQIEISA-N 1 0 387.265 2.959 20 0 GFADRO Fc1cc(CN[C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)c(F)cc1Br ZINC000530219933 564872918 /nfs/dbraw/zinc/87/29/18/564872918.db2.gz LLINAJXURNZGET-HFBAOOFYSA-N 1 0 375.257 2.974 20 0 GFADRO CSCC[C@@H](CO)[NH2+]Cc1cc(Br)cc(Br)c1N ZINC000463240215 564873720 /nfs/dbraw/zinc/87/37/20/564873720.db2.gz LNSZIEVMXZQZNM-JTQLQIEISA-N 1 0 398.164 2.997 20 0 GFADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)NCCOc3ccc(Br)cc3)[C@H]2C1 ZINC000497691703 564874066 /nfs/dbraw/zinc/87/40/66/564874066.db2.gz PZTYFVRBVCGIFK-CJNGLKHVSA-N 1 0 382.302 2.564 20 0 GFADRO CCC[N@@H+]1CCC[C@H]1CNC(=O)c1csc(I)c1 ZINC000557734914 564874305 /nfs/dbraw/zinc/87/43/05/564874305.db2.gz GQFSCDCEPXCMKT-NSHDSACASA-N 1 0 378.279 2.957 20 0 GFADRO COc1nc(N2CC[NH+](CCCC3CCOCC3)CC2)ncc1Br ZINC000463292600 564875611 /nfs/dbraw/zinc/87/56/11/564875611.db2.gz WOACAIBXOWVOID-UHFFFAOYSA-N 1 0 399.333 2.577 20 0 GFADRO C[C@H](CNS(=O)(=O)Cc1ccccc1Br)[N@@H+]1CCC[C@@H](C)C1 ZINC000557797766 564876475 /nfs/dbraw/zinc/87/64/75/564876475.db2.gz ZHOAWRAVSAEBNZ-ZIAGYGMSSA-N 1 0 389.359 2.989 20 0 GFADRO C[C@@H](CNS(=O)(=O)Cc1ccccc1Br)[N@@H+]1CCC[C@@H](C)C1 ZINC000557797764 564876671 /nfs/dbraw/zinc/87/66/71/564876671.db2.gz ZHOAWRAVSAEBNZ-KGLIPLIRSA-N 1 0 389.359 2.989 20 0 GFADRO C[C@@H](NC(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1)c1cc(F)c(Cl)cc1Cl ZINC000583139580 564877080 /nfs/dbraw/zinc/87/70/80/564877080.db2.gz UPLZJHIHXFFWAS-ZJUUUORDSA-N 1 0 386.258 2.967 20 0 GFADRO C[C@H]([NH2+]C[C@H](O)C(F)(F)F)c1ccc(Br)cc1OCCCO ZINC000463362983 564877656 /nfs/dbraw/zinc/87/76/56/564877656.db2.gz XTVCMNGVAFXRCI-ZANVPECISA-N 1 0 386.208 2.784 20 0 GFADRO Cc1cc(NC(=O)C(=O)NC2CC[NH+](C3CC3)CC2)c(F)cc1Br ZINC000497878728 564878549 /nfs/dbraw/zinc/87/85/49/564878549.db2.gz BIVVOZNGMJDIPS-UHFFFAOYSA-N 1 0 398.276 2.578 20 0 GFADRO COCC[NH2+]C1CCN(C(=O)[C@@H](C)Oc2cc(Cl)cc(Cl)c2)CC1 ZINC000583150989 564878653 /nfs/dbraw/zinc/87/86/53/564878653.db2.gz YRYDGMBSRUEUSH-GFCCVEGCSA-N 1 0 375.296 2.988 20 0 GFADRO C[NH+](C)[C@H]1CCCN(S(=O)(=O)Cc2ccccc2Br)CC1 ZINC000557839128 564880410 /nfs/dbraw/zinc/88/04/10/564880410.db2.gz QVBOLWJPLYLHQG-AWEZNQCLSA-N 1 0 375.332 2.695 20 0 GFADRO CC[N@@H+](CC(=O)Nc1ccc(I)cc1C)C[C@@H](C)OC ZINC000463430892 564881135 /nfs/dbraw/zinc/88/11/35/564881135.db2.gz XHKDNUHNJNEHIE-GFCCVEGCSA-N 1 0 390.265 2.895 20 0 GFADRO C[N@H+](CCNC(=O)c1c(Cl)cccc1I)C1CC1 ZINC000463526980 564883493 /nfs/dbraw/zinc/88/34/93/564883493.db2.gz IKXCXIRHUYZZBE-UHFFFAOYSA-N 1 0 378.641 2.769 20 0 GFADRO CS(=O)(=O)N1CC[C@@H](C[N@H+]2CC=C(c3cccc(Br)c3)CC2)C1 ZINC000583275278 564884665 /nfs/dbraw/zinc/88/46/65/564884665.db2.gz SJRGMUXSSUADAK-AWEZNQCLSA-N 1 0 399.354 2.820 20 0 GFADRO Cc1nc2ccccn2c1C[NH2+]CCNC(=O)c1cccc(Br)c1 ZINC000530773610 564894169 /nfs/dbraw/zinc/89/41/69/564894169.db2.gz CFFUYYAMBMIJHU-UHFFFAOYSA-N 1 0 387.281 2.925 20 0 GFADRO CC[C@@H]1CC[C@H]1[NH2+]CCNS(=O)(=O)c1cc(C)ccc1Br ZINC000558253748 564896273 /nfs/dbraw/zinc/89/62/73/564896273.db2.gz JHEBDMCTKNPYRH-TZMCWYRMSA-N 1 0 375.332 2.814 20 0 GFADRO CSc1ccc(S(=O)(=O)N2C[C@@H]([NH+](C)C)[C@@H](SC)C2)cc1Cl ZINC000464195395 564898450 /nfs/dbraw/zinc/89/84/50/564898450.db2.gz QCPCNAOCTBSVDC-OCCSQVGLSA-N 1 0 380.988 2.728 20 0 GFADRO CSC1(CNS(=O)(=O)c2ccc(CC(F)(F)F)cc2)CC[NH+](C)CC1 ZINC000583700393 564903619 /nfs/dbraw/zinc/90/36/19/564903619.db2.gz ZNNZTXFQHRBIAB-UHFFFAOYSA-N 1 0 396.500 2.897 20 0 GFADRO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@H]1CC(=O)N2CCCC[C@H]12 ZINC000558698231 564912153 /nfs/dbraw/zinc/91/21/53/564912153.db2.gz ZGYGYDUQLUKKMF-UHOFOFEASA-N 1 0 394.313 2.909 20 0 GFADRO CCNS(=O)(=O)[C@H]1CCN(Cc2cnc(-c3ccc(Cl)cc3)s2)C1 ZINC000583922590 564912361 /nfs/dbraw/zinc/91/23/61/564912361.db2.gz FQIDIPGXRIGNCQ-HNNXBMFYSA-N 1 0 385.942 2.977 20 0 GFADRO C[N@@H+]1CCC[C@@H](CNC(=O)C2CN(CC(F)(F)F)C2)[C@H]1c1cccs1 ZINC000498915702 564913482 /nfs/dbraw/zinc/91/34/82/564913482.db2.gz BFWQNLQVNAUIQL-WFASDCNBSA-N 1 0 375.460 2.741 20 0 GFADRO [NH3+]CC[C@@H]1CCCCN1C(=O)CCNC(=O)Nc1ccc(Br)cc1 ZINC000584048025 564917774 /nfs/dbraw/zinc/91/77/74/564917774.db2.gz ZUMOCTSLPXEAFP-HNNXBMFYSA-N 1 0 397.317 2.691 20 0 GFADRO [NH3+]C[C@@H]1CN(CC(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)CCCO1 ZINC000584043798 564918010 /nfs/dbraw/zinc/91/80/10/564918010.db2.gz QRWTZWMPQXGYSP-PBHICJAKSA-N 1 0 386.323 2.707 20 0 GFADRO CN(Cc1cc(Br)cs1)C(=O)C[N@@H+]1CCC[C@H]2COCC[C@H]21 ZINC000464862605 564919318 /nfs/dbraw/zinc/91/93/18/564919318.db2.gz XOTXXEGLGZLDMC-SWLSCSKDSA-N 1 0 387.343 2.970 20 0 GFADRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)c3cc(I)ccc3Cl)C[C@@H]12 ZINC000584107657 564920718 /nfs/dbraw/zinc/92/07/18/564920718.db2.gz CBDITIHWPFZRGI-RLCGTCKNSA-N 1 0 390.652 2.754 20 0 GFADRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)Nc1ccc(I)cc1F ZINC000584124370 564921353 /nfs/dbraw/zinc/92/13/53/564921353.db2.gz CQZKEELDXPMLIG-GZMMTYOYSA-N 1 0 377.201 2.550 20 0 GFADRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)Nc1ccc(I)cc1F ZINC000584124371 564921799 /nfs/dbraw/zinc/92/17/99/564921799.db2.gz CQZKEELDXPMLIG-KCJUWKMLSA-N 1 0 377.201 2.550 20 0 GFADRO C[C@H]1C[C@H](N(C)S(=O)(=O)c2c(F)cccc2OC(F)(F)F)CC[N@@H+]1C ZINC000584164115 564923102 /nfs/dbraw/zinc/92/31/02/564923102.db2.gz FWHQXSQTYBREDG-WDEREUQCSA-N 1 0 384.395 2.828 20 0 GFADRO CC(C)COC[C@H](O)C[NH2+]Cc1nnc2c(Cl)cc(C(F)(F)F)cn12 ZINC000584167608 564923122 /nfs/dbraw/zinc/92/31/22/564923122.db2.gz ANCVNLYHGJRCTQ-LLVKDONJSA-N 1 0 380.798 2.525 20 0 GFADRO O[C@@H](C[NH2+][C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1)COC1CCOCC1 ZINC000584168544 564923330 /nfs/dbraw/zinc/92/33/30/564923330.db2.gz ODSCZKVUOQYZBD-ZFWWWQNUSA-N 1 0 389.323 2.718 20 0 GFADRO C[C@H]1Cc2cc(S(=O)(=O)N3CC[C@]4(C3)CCC[N@H+](C)C4)cc(Cl)c2O1 ZINC000559134593 564923818 /nfs/dbraw/zinc/92/38/18/564923818.db2.gz ZYOYTCMALPKFPA-SCLBCKFNSA-N 1 0 384.929 2.770 20 0 GFADRO O=C(Cc1ccc(Br)s1)N[C@H]1CCCC[C@@H]1N1CCOCC1 ZINC000531920377 564924044 /nfs/dbraw/zinc/92/40/44/564924044.db2.gz SVLREQRAFHWIKM-KBPBESRZSA-N 1 0 387.343 2.813 20 0 GFADRO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N[C@@H](c1ccc(Br)cc1)C1CCC1 ZINC000584232237 564926976 /nfs/dbraw/zinc/92/69/76/564926976.db2.gz LIFBNYNFRGGMSJ-HWWQOWPSSA-N 1 0 396.329 2.649 20 0 GFADRO CC[NH+](CC)CC[C@H](CO)NC(=O)C1(c2cccc(Br)c2)CC1 ZINC000559249088 564927623 /nfs/dbraw/zinc/92/76/23/564927623.db2.gz SCQHENDDEDKUCN-MRXNPFEDSA-N 1 0 383.330 2.690 20 0 GFADRO CC[NH+]1CCC(CNC(=O)N(CCO)Cc2cccc(Br)c2)CC1 ZINC000584267533 564928143 /nfs/dbraw/zinc/92/81/43/564928143.db2.gz SGIKWKGILZPZMZ-UHFFFAOYSA-N 1 0 398.345 2.685 20 0 GFADRO COC[C@H]1CCC[N@H+](Cc2cc(=O)n3cc(Br)ccc3n2)CC1 ZINC000584273365 564928590 /nfs/dbraw/zinc/92/85/90/564928590.db2.gz OXOZFMKFLDAURK-ZDUSSCGKSA-N 1 0 380.286 2.706 20 0 GFADRO CCC[N@@H+]1CCC[C@H]1CNC(=O)NCCOc1ncc(Cl)cc1Cl ZINC000499585580 564931021 /nfs/dbraw/zinc/93/10/21/564931021.db2.gz ZGCRENKAUGMGTA-ZDUSSCGKSA-N 1 0 375.300 2.941 20 0 GFADRO CC[NH+](CC)[C@@H]1CCN(C(=O)NCCOc2cccc(Br)c2)C1 ZINC000465725397 564931481 /nfs/dbraw/zinc/93/14/81/564931481.db2.gz UEIIJENKHCXRHM-OAHLLOKOSA-N 1 0 384.318 2.954 20 0 GFADRO COc1ccc(Br)c(CNC(=O)N[C@H]2C[N@@H+](C3CC3)C[C@H]2C)c1 ZINC000466199364 564936210 /nfs/dbraw/zinc/93/62/10/564936210.db2.gz IEGFBWQNZGIGCQ-BZNIZROVSA-N 1 0 382.302 2.740 20 0 GFADRO CN(C)C(=O)CC[NH+]1CCN(Cc2cc(Br)ccc2Cl)CC1 ZINC000532381502 564936438 /nfs/dbraw/zinc/93/64/38/564936438.db2.gz CELPNJLDKKVXPM-UHFFFAOYSA-N 1 0 388.737 2.698 20 0 GFADRO COc1ccc(CNC(=O)N[C@H]2C[N@@H+](C3CC3)C[C@@H]2C)cc1Br ZINC000466260034 564936996 /nfs/dbraw/zinc/93/69/96/564936996.db2.gz XYYVYWXUUKCRLH-NHYWBVRUSA-N 1 0 382.302 2.740 20 0 GFADRO C[NH+]1CCN(Cc2ccc(NC(=O)c3ccncc3Br)cc2)CC1 ZINC000532422973 564938344 /nfs/dbraw/zinc/93/83/44/564938344.db2.gz AFERIFKCRKPDGI-UHFFFAOYSA-N 1 0 389.297 2.844 20 0 GFADRO C[C@@H](CNC(=O)N1CCC[C@H]([NH+](C)C)C1)Oc1ccc(Br)cc1 ZINC000466366708 564939263 /nfs/dbraw/zinc/93/92/63/564939263.db2.gz KUHGXDJRNKVJQK-ZFWWWQNUSA-N 1 0 384.318 2.952 20 0 GFADRO CO[C@H](C)C[N@H+](CC(=O)Nc1ccc(I)cc1)C(C)C ZINC000532587586 564940859 /nfs/dbraw/zinc/94/08/59/564940859.db2.gz XKKRDDVQNMUZOR-GFCCVEGCSA-N 1 0 390.265 2.975 20 0 GFADRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)c2coc(Br)c2)CC1 ZINC000499956723 564941987 /nfs/dbraw/zinc/94/19/87/564941987.db2.gz NJINNAQYWNRIMD-OKILXGFUSA-N 1 0 384.318 2.673 20 0 GFADRO C[C@H](CNC(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C)Oc1ccc(Br)cc1 ZINC000466550390 564943526 /nfs/dbraw/zinc/94/35/26/564943526.db2.gz JBIYNOSVCFRGSV-OGHNNQOOSA-N 1 0 396.329 2.998 20 0 GFADRO C[NH+](C)C[C@H]1CCN(S(=O)(=O)c2cccc(Br)c2Cl)C1 ZINC000560024872 564945523 /nfs/dbraw/zinc/94/55/23/564945523.db2.gz WILJLLYFQDLBQS-SNVBAGLBSA-N 1 0 381.723 2.675 20 0 GFADRO O=S(=O)(c1cccc(Br)c1Cl)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000560026661 564945826 /nfs/dbraw/zinc/94/58/26/564945826.db2.gz ABQZPPFCLSKASZ-NSHDSACASA-N 1 0 393.734 2.961 20 0 GFADRO O=S(=O)(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1cc(Cl)ccc1F ZINC000560041709 564946490 /nfs/dbraw/zinc/94/64/90/564946490.db2.gz MRJKDMTYMRKFEH-CVEARBPZSA-N 1 0 390.908 2.525 20 0 GFADRO COc1ccc(Br)cc1CN(C)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000532957440 564950595 /nfs/dbraw/zinc/95/05/95/564950595.db2.gz WKXRQLOCHPLWNS-AWEZNQCLSA-N 1 0 382.302 2.836 20 0 GFADRO COC(=O)c1ccc(CN2CC[N@H+](CC(C)(C)O)C[C@@H]2C)c(Br)c1 ZINC000560260306 564955592 /nfs/dbraw/zinc/95/55/92/564955592.db2.gz QHYFLBGVLCXMDH-ZDUSSCGKSA-N 1 0 399.329 2.513 20 0 GFADRO CCC(=O)N[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc(Br)cc2)C1 ZINC000500505227 564955759 /nfs/dbraw/zinc/95/57/59/564955759.db2.gz WPXGGRMISNFFPO-OAHLLOKOSA-N 1 0 382.302 2.768 20 0 GFADRO COCC[N@@H+]1CCC[C@@H]1CNCc1cn(-c2cccc(Cl)c2Cl)nn1 ZINC000533165871 564955957 /nfs/dbraw/zinc/95/59/57/564955957.db2.gz YVCYHUVAAOCETG-CQSZACIVSA-N 1 0 384.311 2.775 20 0 GFADRO CCSc1nnc(NC(=O)N[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)s1 ZINC000467216057 564958745 /nfs/dbraw/zinc/95/87/45/564958745.db2.gz JPIAJXGEKAYMNH-TZMCWYRMSA-N 1 0 377.539 3.435 20 0 GFADRO CC[N@H+](CCNC(=O)C(=O)Nc1cc(Br)c(F)cc1F)C(C)C ZINC000467249572 564959511 /nfs/dbraw/zinc/95/95/11/564959511.db2.gz PAIAARSCAVCJQJ-UHFFFAOYSA-N 1 0 392.244 2.512 20 0 GFADRO CO[C@@H]1C[N@H+](CC(=O)N(C)CCOc2ccc(Br)cc2)CC[C@H]1C ZINC000467293345 564959810 /nfs/dbraw/zinc/95/98/10/564959810.db2.gz JTDPDVDACXORBI-RHSMWYFYSA-N 1 0 399.329 2.643 20 0 GFADRO COc1cc2c(cc1F)CC[C@@H]2[NH2+]CCN(C)S(=O)(=O)c1cccs1 ZINC000467372447 564961978 /nfs/dbraw/zinc/96/19/78/564961978.db2.gz BGLWJOLFBYGVBJ-HNNXBMFYSA-N 1 0 384.498 2.793 20 0 GFADRO C[NH+](C)CCn1nccc1NC(=O)[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000560453412 564962326 /nfs/dbraw/zinc/96/23/26/564962326.db2.gz FIJQWOVSKSZPNM-LSDHHAIUSA-N 1 0 377.286 2.949 20 0 GFADRO C[C@H]([NH2+]CCCNS(=O)(=O)c1ccccc1Cl)c1cccc(CO)c1 ZINC000467410992 564962407 /nfs/dbraw/zinc/96/24/07/564962407.db2.gz AKUCDMWBEWLZLV-AWEZNQCLSA-N 1 0 382.913 2.852 20 0 GFADRO Brc1cc(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cnc1N1CCOCC1 ZINC000467442854 564963716 /nfs/dbraw/zinc/96/37/16/564963716.db2.gz IHUPNDUTWRVPQG-UKRRQHHQSA-N 1 0 381.318 2.719 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)Cc2cc(=O)n3cc(Br)ccc3n2)[C@@H](C)C1 ZINC000533531174 564964663 /nfs/dbraw/zinc/96/46/63/564964663.db2.gz QZCPVAGAQVIQIS-XJKSGUPXSA-N 1 0 393.329 2.619 20 0 GFADRO C[C@H]1CC[N@H+](CCNC(=O)c2cccc(F)c2I)C1 ZINC000533536999 564965378 /nfs/dbraw/zinc/96/53/78/564965378.db2.gz JSFRMMUUOBYNRJ-JTQLQIEISA-N 1 0 376.213 2.502 20 0 GFADRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1ccn(-c2cccc(Br)c2)n1 ZINC000467722261 564970426 /nfs/dbraw/zinc/97/04/26/564970426.db2.gz XUMDXUFDLMDLNQ-SJKOYZFVSA-N 1 0 389.297 2.847 20 0 GFADRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N[C@H](C)c1ccc(Br)cc1 ZINC000560671247 564971490 /nfs/dbraw/zinc/97/14/90/564971490.db2.gz NARSECRYTJNURF-CZUORRHYSA-N 1 0 396.329 2.617 20 0 GFADRO C[C@@H](NS(=O)(=O)c1ccc(Br)c(F)c1)C(C)(C)C[NH+](C)C ZINC000467766864 564971993 /nfs/dbraw/zinc/97/19/93/564971993.db2.gz FCOHTOSRVGNUHB-SNVBAGLBSA-N 1 0 381.311 2.843 20 0 GFADRO C[NH+]1CCN(c2ccc(Br)cc2NC(=O)CCOCC2CC2)CC1 ZINC000501226067 564973828 /nfs/dbraw/zinc/97/38/28/564973828.db2.gz ILKDNJPDBFSCPJ-UHFFFAOYSA-N 1 0 396.329 2.956 20 0 GFADRO CC(C)OCCC(=O)Nc1cc(Br)ccc1N1CC[NH+](C)CC1 ZINC000501233133 564974441 /nfs/dbraw/zinc/97/44/41/564974441.db2.gz ZOFMPLVPAKPCPB-UHFFFAOYSA-N 1 0 384.318 2.955 20 0 GFADRO C[NH+](C)CCN(CC1CCCCC1)C(=O)Cn1cc(Br)ccc1=O ZINC000501231565 564974504 /nfs/dbraw/zinc/97/45/04/564974504.db2.gz VQIIKLNNGOUOAU-UHFFFAOYSA-N 1 0 398.345 2.581 20 0 GFADRO CC[C@H](C(=O)N[C@H]1CCCN(c2ccc(Br)c(C)c2)C1=O)[NH+](C)C ZINC000468141671 564978306 /nfs/dbraw/zinc/97/83/06/564978306.db2.gz IDNRIOQLMVLZGJ-JKSUJKDBSA-N 1 0 396.329 2.709 20 0 GFADRO COc1ccc(CN2C[C@@H]([NH+](C)C)[C@@H](SC)C2)c(Br)c1OC ZINC000534219261 564983023 /nfs/dbraw/zinc/98/30/23/564983023.db2.gz YKSZNFPORNZWMO-OCCSQVGLSA-N 1 0 389.359 2.944 20 0 GFADRO CC[C@H](NC(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C)[C@@H](O)C(F)(F)F ZINC000534292559 564984149 /nfs/dbraw/zinc/98/41/49/564984149.db2.gz YNWSRZXXFRCAMV-BFHYXJOUSA-N 1 0 381.826 2.944 20 0 GFADRO C[C@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000468518755 564985883 /nfs/dbraw/zinc/98/58/83/564985883.db2.gz QHEUSUMFDCLYAM-TZMCWYRMSA-N 1 0 386.323 2.923 20 0 GFADRO CSC[C@@H]1CCC[N@@H+]1CC(=O)N(C)CC(=O)Nc1ccccc1SC ZINC000534360014 564986747 /nfs/dbraw/zinc/98/67/47/564986747.db2.gz UNONXGBHCWUSIC-AWEZNQCLSA-N 1 0 381.567 2.633 20 0 GFADRO C[C@H](NC(=O)NC1CC[NH2+]CC1)c1nc(-c2ccc(Br)cc2)no1 ZINC000561188354 564987184 /nfs/dbraw/zinc/98/71/84/564987184.db2.gz ADWISYCCGOOPJU-JTQLQIEISA-N 1 0 394.273 2.611 20 0 GFADRO Cc1cc(I)ccc1NC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC000502076800 564991169 /nfs/dbraw/zinc/99/11/69/564991169.db2.gz IVVYHCUYGGRABD-LBPRGKRZSA-N 1 0 388.249 2.506 20 0 GFADRO Cc1cc(I)cc(NC(=O)[C@@H](C)C[NH+]2CCOCC2)c1 ZINC000561329369 564991354 /nfs/dbraw/zinc/99/13/54/564991354.db2.gz YCAFHORXCDDSBM-LBPRGKRZSA-N 1 0 388.249 2.506 20 0 GFADRO O=C(NC[C@H]1CCC[N@H+](Cc2cccs2)C1)N[C@H](CO)CC(F)(F)F ZINC000534552618 564991428 /nfs/dbraw/zinc/99/14/28/564991428.db2.gz BHSFQYCOKBMYIG-OLZOCXBDSA-N 1 0 379.448 2.573 20 0 GFADRO C[N@@H+]1CCC[C@H](CNC(=O)N[C@H](CO)CC(F)(F)F)[C@H]1c1cccs1 ZINC000534578583 564992576 /nfs/dbraw/zinc/99/25/76/564992576.db2.gz JROQIHOFRKAONI-DYEKYZERSA-N 1 0 379.448 2.744 20 0 GFADRO C[N@H+](CCNC(=O)[C@H]1CC(=O)Nc2ccc(Br)cc21)C1CCCC1 ZINC000468759425 564992933 /nfs/dbraw/zinc/99/29/33/564992933.db2.gz AIIIOQKZTKBDPT-HNNXBMFYSA-N 1 0 394.313 2.866 20 0 GFADRO O=C([C@@H]1CC(=O)Nc2ccc(Br)cc21)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000468754042 564993060 /nfs/dbraw/zinc/99/30/60/564993060.db2.gz AAJBNUTXFSXOPE-UKRRQHHQSA-N 1 0 392.297 2.572 20 0 GFADRO CCC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(Br)c2c(c1)OCCO2 ZINC000561427402 564994558 /nfs/dbraw/zinc/99/45/58/564994558.db2.gz MQAQYWISOWPYLA-ZDUSSCGKSA-N 1 0 383.286 2.825 20 0 GFADRO Cc1cccc(Br)c1C(=O)Nc1ccc(=O)n(CC[NH+](C)C)c1 ZINC000561411665 564994739 /nfs/dbraw/zinc/99/47/39/564994739.db2.gz CTDDOFGUOWOZFG-UHFFFAOYSA-N 1 0 378.270 2.733 20 0 GFADRO C[C@H](NC(=O)C(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1)c1cccc(Cl)c1Cl ZINC000502300302 564995462 /nfs/dbraw/zinc/99/54/62/564995462.db2.gz YMYJZGXEFAOFOL-SRVKXCTJSA-N 1 0 384.307 2.912 20 0 GFADRO CCc1n[nH]c(C(=O)NCC[N@@H+](CC)CCC(F)(F)F)c1Br ZINC000468842868 564996078 /nfs/dbraw/zinc/99/60/78/564996078.db2.gz GSZZRYYFIRSAPR-UHFFFAOYSA-N 1 0 385.228 2.739 20 0 GFADRO Cc1ccc(C(=O)N[C@@H](CC(C)C)C(=O)NCC[NH+](C)C)cc1Br ZINC000534784821 564996567 /nfs/dbraw/zinc/99/65/67/564996567.db2.gz HVLWXYRCEVTLLX-INIZCTEOSA-N 1 0 398.345 2.580 20 0 GFADRO CS[C@H]1CN(C(=O)C2(c3cccc(Cl)c3)CCOCC2)C[C@H]1[NH+](C)C ZINC000534828431 564997117 /nfs/dbraw/zinc/99/71/17/564997117.db2.gz VVNHHHNXUWILBE-SJORKVTESA-N 1 0 382.957 2.892 20 0 GFADRO C[C@@H](O)C[N@@H+]1CCN(C(=O)N[C@H](C)c2ccc(Br)s2)[C@@H](C)C1 ZINC000502376571 564997124 /nfs/dbraw/zinc/99/71/24/564997124.db2.gz OOASAGGFIWOTDU-QJPTWQEYSA-N 1 0 390.347 2.668 20 0 GFADRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1S(=O)(=O)c1ccc(F)cc1Br ZINC000561553392 565001956 /nfs/dbraw/zinc/00/19/56/565001956.db2.gz QWLPXLYKHCSFIE-SMDDNHRTSA-N 1 0 391.306 2.836 20 0 GFADRO C[C@H]1CC[N@H+](CCNS(=O)(=O)c2c(Cl)cc(F)cc2Br)C1 ZINC000535046624 565003743 /nfs/dbraw/zinc/00/37/43/565003743.db2.gz JSTDYZWCWVLHDU-VIFPVBQESA-N 1 0 399.713 2.862 20 0 GFADRO COc1ccc(CNC(=O)N2CC[NH+](C3CCC3)CC2)cc1Br ZINC000502762503 565004466 /nfs/dbraw/zinc/00/44/66/565004466.db2.gz IMJHBJJEBATXLZ-UHFFFAOYSA-N 1 0 382.302 2.837 20 0 GFADRO C[NH+]1CCC(N(Cc2ccco2)C(=O)c2cc[nH]c(=O)c2Br)CC1 ZINC000469087586 565004831 /nfs/dbraw/zinc/00/48/31/565004831.db2.gz VDPMBSCGSHVGMC-UHFFFAOYSA-N 1 0 394.269 2.879 20 0 GFADRO CN(C)CC[N@H+](C)CCCNc1ccc(Br)c(C(F)(F)F)n1 ZINC000561701962 565006478 /nfs/dbraw/zinc/00/64/78/565006478.db2.gz PBFZBQBQFWUTTC-UHFFFAOYSA-N 1 0 383.256 3.158 20 0 GFADRO O=C(CN1CCN(Cc2ccc(Br)cc2F)CC1)NCCC1CC1 ZINC000469140040 565007017 /nfs/dbraw/zinc/00/70/17/565007017.db2.gz GWCGZCVOOMQAGA-UHFFFAOYSA-N 1 0 398.320 2.622 20 0 GFADRO COc1cc(Br)ccc1[C@@H](C)NC(=O)NCCNc1cc[nH+]cc1 ZINC000469210054 565009256 /nfs/dbraw/zinc/00/92/56/565009256.db2.gz WXYDKHLAEHNNTA-GFCCVEGCSA-N 1 0 393.285 2.747 20 0 GFADRO CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)C[N@H+](C)[C@@H]1CCSC1 ZINC000535317962 565010892 /nfs/dbraw/zinc/01/08/92/565010892.db2.gz IJILOMANOHZXTH-GFCCVEGCSA-N 1 0 390.336 2.828 20 0 GFADRO C[C@@H]1CN(CCC[NH2+]CCC(=O)Nc2cccc(Br)c2)C[C@@H](C)O1 ZINC000561897519 565012089 /nfs/dbraw/zinc/01/20/89/565012089.db2.gz ZNRAKELFRBSZEQ-HUUCEWRRSA-N 1 0 398.345 2.867 20 0 GFADRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000561907808 565012850 /nfs/dbraw/zinc/01/28/50/565012850.db2.gz ZJAKSEXQQGFAGF-XJKSGUPXSA-N 1 0 391.313 2.516 20 0 GFADRO CS[C@@H]1CN(C(=O)C2(c3cccc(Br)c3)CC2)C[C@@H]1[NH+](C)C ZINC000535543718 565015154 /nfs/dbraw/zinc/01/51/54/565015154.db2.gz XKQGJNMDGHZWIN-LSDHHAIUSA-N 1 0 383.355 2.985 20 0 GFADRO COc1ccc(I)c(NC(=O)N[C@@H](C)C[C@H](C)[NH3+])c1 ZINC000563134379 565056824 /nfs/dbraw/zinc/05/68/24/565056824.db2.gz ZSIVRSIMHFSIQR-IUCAKERBSA-N 1 0 377.226 2.547 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)NCCCn1cc(Br)cn1 ZINC000562218874 565020151 /nfs/dbraw/zinc/02/01/51/565020151.db2.gz WMAMZEJXYUIDHP-CQSZACIVSA-N 1 0 386.338 2.599 20 0 GFADRO C[NH+]1CCC(CNC(=O)C2(c3ccc(I)cc3)CC2)CC1 ZINC000503483904 565020845 /nfs/dbraw/zinc/02/08/45/565020845.db2.gz DBSZGTDYSLYZNL-UHFFFAOYSA-N 1 0 398.288 2.781 20 0 GFADRO C[C@@H](NC(=O)[C@H]1CC(=O)Nc2ccc(Br)cc21)C(C)(C)C[NH+](C)C ZINC000469576649 565020905 /nfs/dbraw/zinc/02/09/05/565020905.db2.gz OAMGCORHHFHDKK-RISCZKNCSA-N 1 0 396.329 2.967 20 0 GFADRO C[C@H]1C[C@H](NC(=O)c2cc[nH]c(=O)c2Br)C[N@@H+]1Cc1ccccc1 ZINC000469581133 565021784 /nfs/dbraw/zinc/02/17/84/565021784.db2.gz SIMSATRGUIEPKK-JSGCOSHPSA-N 1 0 390.281 2.943 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2C(=O)c1cccc(Br)c1F ZINC000469668406 565023899 /nfs/dbraw/zinc/02/38/99/565023899.db2.gz DIGBUPVMBWQUJT-BYCMXARLSA-N 1 0 385.277 2.912 20 0 GFADRO CCC[N@@H+]1CC[C@@H](CNC(=O)N[C@H](CO)c2ccc(Br)cc2)C1 ZINC000503645840 565024770 /nfs/dbraw/zinc/02/47/70/565024770.db2.gz WIGAOKZFQFCDAE-XJKSGUPXSA-N 1 0 384.318 2.514 20 0 GFADRO C[C@@H]1CN(C(=O)c2cccc(Br)c2F)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000469728739 565025123 /nfs/dbraw/zinc/02/51/23/565025123.db2.gz MQBSDVVRTJIHOG-CJNGLKHVSA-N 1 0 398.320 2.686 20 0 GFADRO C[N@@H+]1CC[C@H](C(=O)N2CCC[C@H]2c2ccc(I)cc2)C1 ZINC000536039702 565027483 /nfs/dbraw/zinc/02/74/83/565027483.db2.gz MISTWCULIGMLAI-ZFWWWQNUSA-N 1 0 384.261 2.906 20 0 GFADRO O=S(=O)(c1ccc(Cl)cc1F)N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000469800881 565027799 /nfs/dbraw/zinc/02/77/99/565027799.db2.gz NAZPJOTTXTVCBZ-HNNXBMFYSA-N 1 0 390.908 2.745 20 0 GFADRO C[C@@H]1C[N@H+](C)CCN1Cc1cc(Br)cc(Br)c1N ZINC000469912828 565031724 /nfs/dbraw/zinc/03/17/24/565031724.db2.gz BAVYUSZLCJGGJF-SECBINFHSA-N 1 0 377.124 2.930 20 0 GFADRO CC1(C)CCC[N@H+](CCNC(=O)CNC(=O)c2ccc(Cl)cc2Cl)C1 ZINC000562540312 565031942 /nfs/dbraw/zinc/03/19/42/565031942.db2.gz PQIKPMDDBAKBEX-UHFFFAOYSA-N 1 0 386.323 2.961 20 0 GFADRO O[C@@H]1C[C@@H]([C@@H]2CCCOC2)[N@H+](Cc2cc3c(cc2Br)OCCO3)C1 ZINC000562543385 565033001 /nfs/dbraw/zinc/03/30/01/565033001.db2.gz LKHRXNNFFUEQMM-XPKDYRNWSA-N 1 0 398.297 2.582 20 0 GFADRO CC[N@@H+]1CCCC[C@H]1CNC(=O)N[C@@H](CO)c1ccc(Br)cc1 ZINC000504059196 565033983 /nfs/dbraw/zinc/03/39/83/565033983.db2.gz DHWLMFIRUHAAGT-HOTGVXAUSA-N 1 0 384.318 2.656 20 0 GFADRO O=C(CCSc1ccc(Br)cc1)NCCNc1cc[nH+]cc1 ZINC000536307308 565034181 /nfs/dbraw/zinc/03/41/81/565034181.db2.gz HSWAFFZIEFDFCJ-UHFFFAOYSA-N 1 0 380.311 2.977 20 0 GFADRO CC(C)[NH+](CCN(C)C(=O)CNC(=O)c1ccc(Br)cc1)C(C)C ZINC000504125542 565035509 /nfs/dbraw/zinc/03/55/09/565035509.db2.gz QTFZMJSKARCNCK-UHFFFAOYSA-N 1 0 398.345 2.756 20 0 GFADRO Cc1ccc(Br)c(NCC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)c1 ZINC000536389812 565036177 /nfs/dbraw/zinc/03/61/77/565036177.db2.gz WKPNSQITSVWSBE-HNNXBMFYSA-N 1 0 398.345 2.642 20 0 GFADRO C[C@@H](Oc1cc(Cl)cc(Cl)c1)C(=O)N1CCC[N@@H+]([C@H](C)CO)CC1 ZINC000470058312 565036452 /nfs/dbraw/zinc/03/64/52/565036452.db2.gz AECAKNYDBTVVTC-CHWSQXEVSA-N 1 0 375.296 2.676 20 0 GFADRO C[C@H]1CN(C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)CCN1CC(F)(F)F ZINC000536500961 565038850 /nfs/dbraw/zinc/03/88/50/565038850.db2.gz CQOLRPPJHRGCNX-JSGCOSHPSA-N 1 0 378.464 2.629 20 0 GFADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)S(=O)(=O)CCC1CC1 ZINC000536540212 565040017 /nfs/dbraw/zinc/04/00/17/565040017.db2.gz GNFLXCUBLMBAIL-UHFFFAOYSA-N 1 0 389.359 2.943 20 0 GFADRO CN(C)c1ncc(Br)cc1C(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000470232059 565041471 /nfs/dbraw/zinc/04/14/71/565041471.db2.gz FSDYUOGWEFQWES-AWEZNQCLSA-N 1 0 395.345 2.714 20 0 GFADRO C[NH+](C)CCN(C1CC1)S(=O)(=O)c1ccc(Br)cc1Cl ZINC000470259031 565042465 /nfs/dbraw/zinc/04/24/65/565042465.db2.gz NUYPUBVWFXPMEG-UHFFFAOYSA-N 1 0 381.723 2.817 20 0 GFADRO Cc1ccc(S(=O)(=O)NCC[NH2+][C@@H]2CSCCc3ccccc32)cc1 ZINC000536827826 565047640 /nfs/dbraw/zinc/04/76/40/565047640.db2.gz QZVINOZMUZOPAY-LJQANCHMSA-N 1 0 376.547 2.894 20 0 GFADRO O=C(NCCC[C@H]1CCC[NH2+]1)c1c(F)cccc1I ZINC000562978044 565050609 /nfs/dbraw/zinc/05/06/09/565050609.db2.gz SRAPJGPKXXNYFL-SNVBAGLBSA-N 1 0 376.213 2.692 20 0 GFADRO CC(C)OCC[C@@H](O)C[NH2+]Cc1c(Br)cncc1Br ZINC000562998281 565051427 /nfs/dbraw/zinc/05/14/27/565051427.db2.gz FBBZTBKCSVEXRN-SNVBAGLBSA-N 1 0 396.123 2.872 20 0 GFADRO C[NH2+][C@@H](C(=O)N(C)Cc1ccc(Br)cc1Cl)c1cnn(C)c1 ZINC000563098609 565056071 /nfs/dbraw/zinc/05/60/71/565056071.db2.gz YUESXBFFTBMNIV-CQSZACIVSA-N 1 0 385.693 2.755 20 0 GFADRO C[C@@H]1C[C@@H](NS(=O)(=O)Cc2cc(Cl)ccc2Br)CC[NH2+]1 ZINC000563138159 565056909 /nfs/dbraw/zinc/05/69/09/565056909.db2.gz RLNBBBHRHIESQU-SKDRFNHKSA-N 1 0 381.723 2.662 20 0 GFADRO CN(Cc1cc(Br)cs1)C(=O)CN1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000563150077 565057362 /nfs/dbraw/zinc/05/73/62/565057362.db2.gz YRZQKYJLMAAJOS-INIZCTEOSA-N 1 0 386.359 2.545 20 0 GFADRO [NH3+][C@@H](Cc1ccccc1)[C@@H](O)CN1CCc2cccc(Br)c2C1 ZINC000563155234 565057636 /nfs/dbraw/zinc/05/76/36/565057636.db2.gz PRQBLDNMQATSBL-OALUTQOASA-N 1 0 375.310 2.738 20 0 GFADRO O=C(NC[C@@H](CO)Cc1ccc(Br)cc1)C12CCC[NH+](CCC1)C2 ZINC000635854486 565077735 /nfs/dbraw/zinc/07/77/35/565077735.db2.gz VCTQTESUGVQRDE-INIZCTEOSA-N 1 0 395.341 2.592 20 0 GFADRO O=C(NCC12CCC[NH+]1CCC2)C1=Cc2cc(Br)ccc2OC1 ZINC000684850502 565085312 /nfs/dbraw/zinc/08/53/12/565085312.db2.gz ZTXLUGCNCMZQPE-UHFFFAOYSA-N 1 0 377.282 2.970 20 0 GFADRO O[C@H](C[NH2+][C@H]1CCN(C2CCCC2)C1)COc1cccc(Br)c1 ZINC000584524799 565085591 /nfs/dbraw/zinc/08/55/91/565085591.db2.gz JJSUOUYUBFHHQR-DOTOQJQBSA-N 1 0 383.330 2.795 20 0 GFADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)c1cc2cc(Cl)sc2[nH]1 ZINC000584562616 565088240 /nfs/dbraw/zinc/08/82/40/565088240.db2.gz ROXREHVHAGHFNB-ZDUSSCGKSA-N 1 0 382.917 2.555 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C(=O)N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000584589764 565089309 /nfs/dbraw/zinc/08/93/09/565089309.db2.gz PKYNSQRJANOTKE-WCQYABFASA-N 1 0 377.286 2.753 20 0 GFADRO COCC[C@@H](Cc1cccc(Br)c1)C(=O)N1CCC2(C[NH+](C)C2)C1 ZINC000614039030 565091604 /nfs/dbraw/zinc/09/16/04/565091604.db2.gz KFICXGYWYZXHKL-INIZCTEOSA-N 1 0 395.341 2.808 20 0 GFADRO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)c1cc(F)c(Cl)c(N)c1Cl ZINC000636160569 565094256 /nfs/dbraw/zinc/09/42/56/565094256.db2.gz FSDXHUHRNLTBDB-JTQLQIEISA-N 1 0 379.307 2.717 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+]C[C@H]1CCCNC1=O ZINC000657283827 565096047 /nfs/dbraw/zinc/09/60/47/565096047.db2.gz JBPGDZSCWNFDCT-CYBMUJFWSA-N 1 0 377.286 2.559 20 0 GFADRO CN(Cc1ccccc1Br)C(=O)CC[NH2+]Cc1cc2n(n1)CCC2 ZINC000657356537 565097161 /nfs/dbraw/zinc/09/71/61/565097161.db2.gz FKSXHBSJXHCONE-UHFFFAOYSA-N 1 0 391.313 2.730 20 0 GFADRO Cn1ncc(C2CCC2)c1C[NH2+]CCNC(=O)c1ccc(Br)cc1 ZINC000657324065 565097181 /nfs/dbraw/zinc/09/71/81/565097181.db2.gz QJZDJNXGOUJUPY-UHFFFAOYSA-N 1 0 391.313 2.970 20 0 GFADRO Cc1cc(S(=O)(=O)N2CC[C@]3(C2)CCC[NH2+]C3)sc1Br ZINC000584782615 565097206 /nfs/dbraw/zinc/09/72/06/565097206.db2.gz RRAHLIDRRFHFKO-CYBMUJFWSA-N 1 0 379.345 2.583 20 0 GFADRO CCc1cccc2cc(C[NH2+]C[C@H](O)CS(=O)(=O)c3cccs3)oc21 ZINC000657415437 565100396 /nfs/dbraw/zinc/10/03/96/565100396.db2.gz JYSQQNUAHKSYEB-HNNXBMFYSA-N 1 0 379.503 2.981 20 0 GFADRO Cc1c(Br)cncc1C[NH2+][C@H]1CCN(c2ccccc2C(N)=O)C1 ZINC000657370145 565100497 /nfs/dbraw/zinc/10/04/97/565100497.db2.gz MMFLAVMCBKFPLS-AWEZNQCLSA-N 1 0 389.297 2.620 20 0 GFADRO Cc1c(Br)cncc1C[NH2+][C@@H]1CCCN(Cc2ccccn2)C1=O ZINC000657432854 565100957 /nfs/dbraw/zinc/10/09/57/565100957.db2.gz WAFSACHCNSHSBE-QGZVFWFLSA-N 1 0 389.297 2.828 20 0 GFADRO COc1ccccc1CCNC(=O)C[NH2+]Cc1cncc(Br)c1C ZINC000657454556 565101161 /nfs/dbraw/zinc/10/11/61/565101161.db2.gz LYODNODMZDAJBF-UHFFFAOYSA-N 1 0 392.297 2.610 20 0 GFADRO Cc1ccc(C[C@H](CO)C[NH2+]Cc2cnc3n2CCC3)cc1Br ZINC000657485114 565102491 /nfs/dbraw/zinc/10/24/91/565102491.db2.gz WZQXWACCVTYOQC-HNNXBMFYSA-N 1 0 378.314 2.841 20 0 GFADRO C[NH+](C)CCN(Cc1ccccc1F)S(=O)(=O)C[C@H]1CCC(F)(F)C1 ZINC000685294910 565102764 /nfs/dbraw/zinc/10/27/64/565102764.db2.gz PECJRMHRUISNPY-AWEZNQCLSA-N 1 0 378.460 2.955 20 0 GFADRO O=S(=O)(NCC1CC[NH+](C2CCOCC2)CC1)c1ccc(Cl)s1 ZINC000585226699 565103758 /nfs/dbraw/zinc/10/37/58/565103758.db2.gz KSTBRBLUWNEKFV-UHFFFAOYSA-N 1 0 378.947 2.571 20 0 GFADRO Cc1ccc(S(=O)(=O)NCC2CC[NH+](C3CCOCC3)CC2)cc1Cl ZINC000585226781 565104105 /nfs/dbraw/zinc/10/41/05/565104105.db2.gz PFRNYZOOLOTKCU-UHFFFAOYSA-N 1 0 386.945 2.818 20 0 GFADRO CO[C@@H]1CCC[C@H]([C@H](CO)[NH2+]Cc2cnc3ccc(Br)cn23)C1 ZINC000657575898 565109843 /nfs/dbraw/zinc/10/98/43/565109843.db2.gz GEPVEBDFFCCHNL-MAZHCROVSA-N 1 0 382.302 2.753 20 0 GFADRO COc1ccc(C[NH2+][C@H](CO)[C@H]2CCC[C@H](OC)C2)c(Br)c1O ZINC000657576247 565110226 /nfs/dbraw/zinc/11/02/26/565110226.db2.gz JHJQRQKHPOWGBP-FPMFFAJLSA-N 1 0 388.302 2.819 20 0 GFADRO O=C(Cc1cscc1Br)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000614444843 565113470 /nfs/dbraw/zinc/11/34/70/565113470.db2.gz CAGUZXNBTSAFRK-AWEZNQCLSA-N 1 0 387.343 2.766 20 0 GFADRO CC[NH+](CC)CCOCCNS(=O)(=O)c1ccc(C(F)(F)F)c(C)c1 ZINC000685596607 565114158 /nfs/dbraw/zinc/11/41/58/565114158.db2.gz JUBZCWVOPZGKEE-UHFFFAOYSA-N 1 0 382.448 2.651 20 0 GFADRO Cc1cc(C(C)(C)[NH2+]CCN2C(=O)NC(C)(C)C2=O)ccc1Br ZINC000685612999 565115853 /nfs/dbraw/zinc/11/58/53/565115853.db2.gz CQWBGBJMPSSBFB-UHFFFAOYSA-N 1 0 382.302 2.913 20 0 GFADRO Brc1ccccc1-n1cc(C[NH2+]CCCOC[C@H]2CCCO2)nn1 ZINC000685612388 565116259 /nfs/dbraw/zinc/11/62/59/565116259.db2.gz KMPMEXKNVRHMBJ-OAHLLOKOSA-N 1 0 395.301 2.705 20 0 GFADRO Cc1cc(Br)cc(Cl)c1C(=O)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000614504732 565116790 /nfs/dbraw/zinc/11/67/90/565116790.db2.gz ZHUFSTVAALHWMA-ZDUSSCGKSA-N 1 0 386.721 2.531 20 0 GFADRO Cc1cc(C(C)(C)C(=O)NC[C@H]2C[N@@H+]3CCN2CCC3)ccc1Br ZINC000614506067 565116975 /nfs/dbraw/zinc/11/69/75/565116975.db2.gz VEKBIIOHLZGPGZ-INIZCTEOSA-N 1 0 394.357 2.541 20 0 GFADRO C[NH+]1CCC(N(Cc2ccco2)C(=O)CCn2cc(Br)cn2)CC1 ZINC000614558915 565119254 /nfs/dbraw/zinc/11/92/54/565119254.db2.gz HJEPMQUPUUUXKC-UHFFFAOYSA-N 1 0 395.301 2.752 20 0 GFADRO CSc1ccc(Cl)c(NC(=O)C(=O)NC[C@]2([NH+](C)C)CCSC2)c1 ZINC000657700516 565120615 /nfs/dbraw/zinc/12/06/15/565120615.db2.gz WJJDJDFCRLDMOG-MRXNPFEDSA-N 1 0 387.958 2.554 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2Cc1cn2ccc(Br)cc2n1 ZINC000685838928 565126002 /nfs/dbraw/zinc/12/60/02/565126002.db2.gz QPHFISFZGRYSDW-ZACQAIPSSA-N 1 0 393.329 2.780 20 0 GFADRO OCC1([C@H]([NH2+]Cc2cc3c(c(Br)c2)OCO3)[C@@H]2CCCO2)CCC1 ZINC000685851256 565128267 /nfs/dbraw/zinc/12/82/67/565128267.db2.gz FTXFPPJIPRLMBY-WMLDXEAASA-N 1 0 398.297 2.978 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]C[C@H]1CCOC1(C)C ZINC000657784914 565130110 /nfs/dbraw/zinc/13/01/10/565130110.db2.gz ALEMRWMWOOFRLY-GXTWGEPZSA-N 1 0 399.329 2.867 20 0 GFADRO CC[C@@H](Cc1ccc(Br)cc1)[NH2+][C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000657858900 565133609 /nfs/dbraw/zinc/13/36/09/565133609.db2.gz MNSCPMJUISXKOJ-JKSUJKDBSA-N 1 0 389.359 2.784 20 0 GFADRO C[C@@H](NC(=O)NCc1c(Br)cnn1C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000637033812 565134399 /nfs/dbraw/zinc/13/43/99/565134399.db2.gz MHUGJOVKQMLAKL-OLZOCXBDSA-N 1 0 398.349 2.635 20 0 GFADRO CCCC[N@@H+]1CCCC[C@@H]1CNS(=O)(=O)c1c(F)cc(OC)cc1F ZINC000588680808 565136988 /nfs/dbraw/zinc/13/69/88/565136988.db2.gz DVXKQAOENRYDEO-CYBMUJFWSA-N 1 0 376.469 2.906 20 0 GFADRO CCCNC(=O)C1CC[NH+](C[C@@H](O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000637198181 565144852 /nfs/dbraw/zinc/14/48/52/565144852.db2.gz RJFNNRFRMDJYAG-CQSZACIVSA-N 1 0 389.323 2.971 20 0 GFADRO COCCC[NH+]1CCC(NC(=O)c2ccc(OC)c(Br)c2)CC1 ZINC000588932539 565145754 /nfs/dbraw/zinc/14/57/54/565145754.db2.gz KDWMURQATGREAO-UHFFFAOYSA-N 1 0 385.302 2.688 20 0 GFADRO O=C(NC[C@H]1CCC[NH2+]C1)N1CCc2[nH]c3ccc(Br)cc3c2C1 ZINC000637227140 565145852 /nfs/dbraw/zinc/14/58/52/565145852.db2.gz FRMVOSOTDMBSJO-LBPRGKRZSA-N 1 0 391.313 2.998 20 0 GFADRO O=C(NC[C@H]1CCC[NH2+]C1)N1CCc2[nH]c3c(cccc3Br)c2C1 ZINC000637227138 565145936 /nfs/dbraw/zinc/14/59/36/565145936.db2.gz FFJUNOMIJOMWIN-LBPRGKRZSA-N 1 0 391.313 2.998 20 0 GFADRO Cc1c(Br)cccc1NC(=O)C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000588993189 565146366 /nfs/dbraw/zinc/14/63/66/565146366.db2.gz BFUPSOHJIZNTIP-UHFFFAOYSA-N 1 0 394.313 2.783 20 0 GFADRO COc1ccc(Br)cc1C[C@H](CO)C[NH2+][C@H]1COC2(CCC2)C1 ZINC000658032352 565146889 /nfs/dbraw/zinc/14/68/89/565146889.db2.gz QQKLZHGYYPQETJ-XJKSGUPXSA-N 1 0 384.314 2.910 20 0 GFADRO COC[C@H](CC1CCOCC1)[NH2+]CCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000658022726 565147115 /nfs/dbraw/zinc/14/71/15/565147115.db2.gz DACUESFKQHWYSS-KRWDZBQOSA-N 1 0 389.945 2.925 20 0 GFADRO COC(=O)[C@@](C)(O)C[NH2+][C@H](CC(F)(F)F)c1ccc(Br)cc1 ZINC000588967495 565147132 /nfs/dbraw/zinc/14/71/32/565147132.db2.gz WBGRKBGTAWUKIF-YPMHNXCESA-N 1 0 384.192 2.956 20 0 GFADRO COc1ccc2c(c1)[C@@H]([NH2+]CCNC(=O)c1ccc(Br)cn1)CC2 ZINC000658093679 565150245 /nfs/dbraw/zinc/15/02/45/565150245.db2.gz XSSDPILKUOHMGB-INIZCTEOSA-N 1 0 390.281 2.860 20 0 GFADRO COc1ccc2c(c1)[C@H]([NH2+]CCNC(=O)c1ccc(Br)cn1)CC2 ZINC000658093683 565150804 /nfs/dbraw/zinc/15/08/04/565150804.db2.gz XSSDPILKUOHMGB-MRXNPFEDSA-N 1 0 390.281 2.860 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)c(Br)c1 ZINC000658124397 565152429 /nfs/dbraw/zinc/15/24/29/565152429.db2.gz AKXCMKFPTNQVDR-CYBMUJFWSA-N 1 0 396.329 2.993 20 0 GFADRO C[C@H]([NH2+]C[C@H](OC1CCCC1)C(F)(F)F)c1ccc(S(N)(=O)=O)cc1 ZINC000658125436 565152451 /nfs/dbraw/zinc/15/24/51/565152451.db2.gz SZQZEKSKUKDGRI-NHYWBVRUSA-N 1 0 380.432 2.875 20 0 GFADRO OCCO[C@]1(C[NH2+][C@H]2CCCCc3ccc(Br)cc32)CCOC1 ZINC000658144001 565153233 /nfs/dbraw/zinc/15/32/33/565153233.db2.gz JWIXNELGFMBKTB-ROUUACIJSA-N 1 0 384.314 2.974 20 0 GFADRO CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+]CCO[C@H]2CC2(F)F)cc1 ZINC000658165518 565154823 /nfs/dbraw/zinc/15/48/23/565154823.db2.gz KWMLYHBXFATDCU-BBRMVZONSA-N 1 0 376.469 2.792 20 0 GFADRO O=C(Cn1cc(Br)cn1)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000615511603 565164007 /nfs/dbraw/zinc/16/40/07/565164007.db2.gz SKIHKQQCIPABGI-INIZCTEOSA-N 1 0 377.286 2.599 20 0 GFADRO CSC1(CNC(=O)c2ccnc(OCC(F)(F)F)c2)CC[NH+](C)CC1 ZINC000589475792 565164006 /nfs/dbraw/zinc/16/40/06/565164006.db2.gz CHQOAJCSOWFIBD-UHFFFAOYSA-N 1 0 377.432 2.580 20 0 GFADRO COCC[C@H](Cc1cccc(Br)c1)C(=O)N1CC(C[NH+](C)C)C1 ZINC000615508748 565164199 /nfs/dbraw/zinc/16/41/99/565164199.db2.gz BHUBNYKTNUADRV-MRXNPFEDSA-N 1 0 383.330 2.664 20 0 GFADRO C[NH+](C)CC1CN(C(=O)[C@H]2CCCN2C(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000615513280 565164292 /nfs/dbraw/zinc/16/42/92/565164292.db2.gz NUKHUSOQZOYVRQ-MRXNPFEDSA-N 1 0 384.307 2.618 20 0 GFADRO CCCOc1ccc(Br)cc1S(=O)(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000658377492 565164743 /nfs/dbraw/zinc/16/47/43/565164743.db2.gz GVXWOWSMCJNGES-DGCLKSJQSA-N 1 0 391.331 2.657 20 0 GFADRO CCCOc1ccc(Br)cc1S(=O)(=O)N[C@H]1CCCC[NH2+]C1 ZINC000658381562 565165765 /nfs/dbraw/zinc/16/57/65/565165765.db2.gz UPMCCSHISOXENV-ZDUSSCGKSA-N 1 0 391.331 2.658 20 0 GFADRO CCCOc1ccc(Br)cc1S(=O)(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000658381544 565165807 /nfs/dbraw/zinc/16/58/07/565165807.db2.gz UHJGYKLGQJQROK-DGCLKSJQSA-N 1 0 391.331 2.644 20 0 GFADRO [NH3+]CC12CCC(CC1)CN2S(=O)(=O)Cc1cc(F)ccc1Br ZINC000658385066 565165849 /nfs/dbraw/zinc/16/58/49/565165849.db2.gz TUISDFOENBRGSF-UHFFFAOYSA-N 1 0 391.306 2.621 20 0 GFADRO C[C@H]1CCN(S(=O)(=O)c2cc(Cl)ccc2OC(F)(F)F)C[C@@H]1C[NH3+] ZINC000658382601 565165872 /nfs/dbraw/zinc/16/58/72/565165872.db2.gz RNEOZXKRLPRAED-UWVGGRQHSA-N 1 0 386.823 2.844 20 0 GFADRO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(S(=O)(=O)Cc2cc(F)ccc2Cl)CC1 ZINC000658382479 565166031 /nfs/dbraw/zinc/16/60/31/565166031.db2.gz LZTRDTIUZNIWQH-IAGOWNOFSA-N 1 0 390.908 2.527 20 0 GFADRO C[C@@H]1CN(S(=O)(=O)c2cc(Cl)cc(Br)c2)C[C@@]1(C)C[NH3+] ZINC000658381822 565166112 /nfs/dbraw/zinc/16/61/12/565166112.db2.gz IQXQUMUCXQDDIT-NOZJJQNGSA-N 1 0 381.723 2.708 20 0 GFADRO O=S(=O)(c1c[nH]c2nccc(Cl)c12)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000658386979 565166990 /nfs/dbraw/zinc/16/69/90/565166990.db2.gz FMKHJBZCCYFBBG-ZDUSSCGKSA-N 1 0 382.917 2.617 20 0 GFADRO CCOc1ccc(S(=O)(=O)N2CC[C@@H](C)C[C@H]2C[NH3+])cc1Br ZINC000658400590 565168392 /nfs/dbraw/zinc/16/83/92/565168392.db2.gz KGPBBCPXAZGZAJ-NEPJUHHUSA-N 1 0 391.331 2.596 20 0 GFADRO Cc1c2cc(C(=O)NC[C@H]3CCCC[N@@H+]3CCO)[nH]c2ccc1Br ZINC000615656419 565168578 /nfs/dbraw/zinc/16/85/78/565168578.db2.gz FZKPAQBUKBHVQS-CYBMUJFWSA-N 1 0 394.313 2.815 20 0 GFADRO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C ZINC000658430796 565169583 /nfs/dbraw/zinc/16/95/83/565169583.db2.gz BRMLQQLLYYPBNX-CYBMUJFWSA-N 1 0 386.323 2.941 20 0 GFADRO CN1C[C@H]2CC[N@H+](CCCOc3cccc(I)c3)[C@@H]2C1 ZINC000590010612 565176652 /nfs/dbraw/zinc/17/66/52/565176652.db2.gz LPBSLESMBREWCV-CZUORRHYSA-N 1 0 386.277 2.696 20 0 GFADRO CO[C@@H]1C[NH2+][C@](C)(C(=O)NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)C1 ZINC000637929217 565177436 /nfs/dbraw/zinc/17/74/36/565177436.db2.gz WIBGSYKGMXJFOU-PZEZNAACSA-N 1 0 376.341 2.779 20 0 GFADRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)C(=O)NCc1ccc(Cl)c(Cl)c1 ZINC000658625596 565178668 /nfs/dbraw/zinc/17/86/68/565178668.db2.gz BGHDPZQIZXSWJX-CQSZACIVSA-N 1 0 386.323 2.942 20 0 GFADRO Brc1cnc2c(CN3CCC[N@@H+](C4CCCC4)CC3)cnn2c1 ZINC000637990196 565179988 /nfs/dbraw/zinc/17/99/88/565179988.db2.gz ARZQLVSIIIRHHG-UHFFFAOYSA-N 1 0 378.318 2.942 20 0 GFADRO [NH3+]Cc1ncc(C(=O)N2CCC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)cn1 ZINC000638042271 565181730 /nfs/dbraw/zinc/18/17/30/565181730.db2.gz QBQMETTULHAQCW-ZDUSSCGKSA-N 1 0 381.263 2.926 20 0 GFADRO COc1cccc(C[C@@H]([NH3+])C(=O)N2CCc3cccc(Br)c3C2)c1 ZINC000638008699 565181851 /nfs/dbraw/zinc/18/18/51/565181851.db2.gz VTYAKZPZVPGSBK-GOSISDBHSA-N 1 0 389.293 2.912 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)S(=O)(=O)Cc1ccccc1Cl ZINC000590300468 565182867 /nfs/dbraw/zinc/18/28/67/565182867.db2.gz VFPCMLMDHLVHJP-KRWDZBQOSA-N 1 0 387.977 2.518 20 0 GFADRO OCC[N@H+](CCc1ccccc1)Cc1cnn2cc(Br)cnc12 ZINC000638079035 565182943 /nfs/dbraw/zinc/18/29/43/565182943.db2.gz JSVCLCBXXIQITH-UHFFFAOYSA-N 1 0 375.270 2.529 20 0 GFADRO CN1CC[C@H]([NH2+]CCCN2CCOCC2)C[C@@H]1c1ccc(Br)cc1 ZINC000638284729 565190093 /nfs/dbraw/zinc/19/00/93/565190093.db2.gz CIYSJYLRKMPZCM-RBUKOAKNSA-N 1 0 396.373 2.896 20 0 GFADRO CO[C@@H]1C[NH2+][C@](C)(C(=O)N2CCC(c3ccccc3Br)CC2)C1 ZINC000638304933 565191589 /nfs/dbraw/zinc/19/15/89/565191589.db2.gz NGOGMADJZZWRRY-KSSFIOAISA-N 1 0 381.314 2.922 20 0 GFADRO CC1(C)CCC[N@@H+]1CCNC(=O)c1cc(Br)cc2c1OCCO2 ZINC000616153691 565192431 /nfs/dbraw/zinc/19/24/31/565192431.db2.gz IJRIBZYWSDGBKK-UHFFFAOYSA-N 1 0 383.286 2.825 20 0 GFADRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCO[C@H]2c2cncc(Br)c2)C1 ZINC000616153798 565192869 /nfs/dbraw/zinc/19/28/69/565192869.db2.gz BXJASDIAQWUOHV-ZACQAIPSSA-N 1 0 396.329 2.863 20 0 GFADRO COc1cc(C(=O)N2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)ccc1Br ZINC000638384068 565194094 /nfs/dbraw/zinc/19/40/94/565194094.db2.gz MMSBIRMBEUBXFT-SQWLQELKSA-N 1 0 397.313 2.816 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+]C[C@H](c2cccc(Cl)c2)N2CCCC2)s1 ZINC000638361661 565194165 /nfs/dbraw/zinc/19/41/65/565194165.db2.gz QCHZCJIIGWAPDM-MRXNPFEDSA-N 1 0 399.969 2.976 20 0 GFADRO [NH3+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1[C@@H]3Cc4cc(Br)ccc4[C@@H]31)C2 ZINC000638384564 565194206 /nfs/dbraw/zinc/19/42/06/565194206.db2.gz WXADMMKCJZGESA-IIDKFBGSSA-N 1 0 375.310 2.922 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+]CCc2ccc(OC(F)(F)F)cc2)s1 ZINC000638376091 565194378 /nfs/dbraw/zinc/19/43/78/565194378.db2.gz HTDTXWBZAMAHKH-UHFFFAOYSA-N 1 0 380.413 2.626 20 0 GFADRO OC[C@@H](C[NH2+]Cc1cnn2cc(Br)cnc12)Cc1ccc(F)cc1 ZINC000638414231 565194719 /nfs/dbraw/zinc/19/47/19/565194719.db2.gz NKAUDVMRXVKRHP-CYBMUJFWSA-N 1 0 393.260 2.572 20 0 GFADRO [NH3+]CC1CCN(C(=O)Cc2ccc(Br)c(Br)c2)CC1 ZINC000658926346 565195685 /nfs/dbraw/zinc/19/56/85/565195685.db2.gz GXGMGRFHVBRQBY-UHFFFAOYSA-N 1 0 390.119 2.951 20 0 GFADRO COc1ccc(OC)c(CC[NH2+]Cc2cnn3cc(Br)cnc23)c1 ZINC000638433039 565196347 /nfs/dbraw/zinc/19/63/47/565196347.db2.gz UVIRCKLMQWZILR-UHFFFAOYSA-N 1 0 391.269 2.841 20 0 GFADRO COc1ncc(C(=O)N2CCCC[C@H]2[C@H]2CCC[NH2+]C2)cc1Br ZINC000658943484 565196390 /nfs/dbraw/zinc/19/63/90/565196390.db2.gz UCFQIQLGQHGYPJ-WFASDCNBSA-N 1 0 382.302 2.847 20 0 GFADRO CSc1ccc(NC(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)cc1Br ZINC000638465376 565198099 /nfs/dbraw/zinc/19/80/99/565198099.db2.gz BRJBRQSEYAFHGQ-NSHDSACASA-N 1 0 396.314 2.767 20 0 GFADRO CC(C)[C@H]1C[NH2+]CCN1C(=O)c1ncc(Br)cc1Br ZINC000638490015 565199133 /nfs/dbraw/zinc/19/91/33/565199133.db2.gz SQZXJFYJBSVQEL-LLVKDONJSA-N 1 0 391.107 2.677 20 0 GFADRO CO[C@@H]1C[NH2+][C@@](C)(C(=O)N[C@@H](C)c2cc(F)c(Br)cc2F)C1 ZINC000638496687 565199243 /nfs/dbraw/zinc/19/92/43/565199243.db2.gz ZWPJWJNTWHLHOK-KOSWAMCASA-N 1 0 377.229 2.672 20 0 GFADRO COCC[NH2+]CCNC(=O)Nc1nnc(-c2cc(Cl)cc(Cl)c2)s1 ZINC000659027608 565199657 /nfs/dbraw/zinc/19/96/57/565199657.db2.gz DAEGTTNANXUPID-UHFFFAOYSA-N 1 0 390.296 2.869 20 0 GFADRO [NH3+]C1(CNC(=O)C2(c3ccc(Br)cc3)CCCC2)CCOCC1 ZINC000638538697 565200183 /nfs/dbraw/zinc/20/01/83/565200183.db2.gz VACURQRRMJDPEW-UHFFFAOYSA-N 1 0 381.314 2.885 20 0 GFADRO Cc1cc(Br)c(Cl)cc1NC(=O)C(=O)N1C[C@H](C[NH3+])C[C@@H]1C ZINC000659081809 565200491 /nfs/dbraw/zinc/20/04/91/565200491.db2.gz RGECLATXJURHGX-UWVGGRQHSA-N 1 0 388.693 2.545 20 0 GFADRO O=C(Nc1ccc(Br)cc1)C(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000659091511 565201525 /nfs/dbraw/zinc/20/15/25/565201525.db2.gz OKHZBIXAAOYTFK-CQSZACIVSA-N 1 0 394.313 2.626 20 0 GFADRO CCn1cc(Br)cc1C(=O)N1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000638547779 565201565 /nfs/dbraw/zinc/20/15/65/565201565.db2.gz CNPVZTDTVNJDTA-KOLCDFICSA-N 1 0 382.224 2.870 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)[C@H](C[C@@H]2CCCO2)C(F)(F)F)CC[C@@H]1C(F)(F)F ZINC000638558164 565202060 /nfs/dbraw/zinc/20/20/60/565202060.db2.gz OAYCEZGOOFUFLL-RHYQMDGZSA-N 1 0 376.341 2.720 20 0 GFADRO C[NH2+]CCOCCN(C)C(=O)c1cc(C)nc2ccc(Br)cc21 ZINC000638590334 565202865 /nfs/dbraw/zinc/20/28/65/565202865.db2.gz GBBOWSJIXAFEBL-UHFFFAOYSA-N 1 0 380.286 2.614 20 0 GFADRO Cc1nc([C@@H]2CCOC2)sc1C(=O)N1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000638560498 565203353 /nfs/dbraw/zinc/20/33/53/565203353.db2.gz DYAYRTZRMKYLNP-UTUOFQBUSA-N 1 0 377.432 2.555 20 0 GFADRO C[NH+](C)CC[C@H](N)C(=O)N[C@@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC000638595600 565204545 /nfs/dbraw/zinc/20/45/45/565204545.db2.gz IUVKZHNPZCDPJC-GOEBONIOSA-N 1 0 393.329 2.703 20 0 GFADRO COc1cc(F)c(S(=O)(=O)N2CCC(C[N@H+](C)C(C)C)CC2)c(F)c1 ZINC000590836514 565206454 /nfs/dbraw/zinc/20/64/54/565206454.db2.gz QZOMQIOEOMPOSW-UHFFFAOYSA-N 1 0 376.469 2.714 20 0 GFADRO [NH3+]CCCOCCNC(=O)c1ccc(Oc2cccc(Br)c2)nc1 ZINC000638661138 565207081 /nfs/dbraw/zinc/20/70/81/565207081.db2.gz LGMDHTIVGUBVSH-UHFFFAOYSA-N 1 0 394.269 2.732 20 0 GFADRO Cc1nn(Cc2cccc(Br)c2)c(C)c1C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000638768491 565209654 /nfs/dbraw/zinc/20/96/54/565209654.db2.gz BZWIQLQFDBKTAG-MEDUHNTESA-N 1 0 391.313 2.791 20 0 GFADRO O=C(c1cc(I)ccc1Cl)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000590899981 565209778 /nfs/dbraw/zinc/20/97/78/565209778.db2.gz DCJGQPWNOCLDEI-ZJUUUORDSA-N 1 0 390.652 2.626 20 0 GFADRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)CCc1ncc(-c2ccccc2Br)o1 ZINC000638781233 565210097 /nfs/dbraw/zinc/21/00/97/565210097.db2.gz ZMEBPTMVVQIUSZ-SMDDNHRTSA-N 1 0 378.270 2.903 20 0 GFADRO C[C@H](Cc1ccc(F)c(Br)c1)[NH2+]Cc1ccc(S(N)(=O)=O)o1 ZINC000638775317 565210163 /nfs/dbraw/zinc/21/01/63/565210163.db2.gz BQSWCQJQXJGIPF-SECBINFHSA-N 1 0 391.262 2.549 20 0 GFADRO [NH3+]C1(C(=O)N[C@H]2CCN(c3ccc(Br)cc3)C2)CC2(CCC2)C1 ZINC000659291232 565210811 /nfs/dbraw/zinc/21/08/11/565210811.db2.gz FHHOJSKWRRPMCW-AWEZNQCLSA-N 1 0 378.314 2.806 20 0 GFADRO O=C(c1cc(F)cc(Br)c1)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000638779494 565210920 /nfs/dbraw/zinc/21/09/20/565210920.db2.gz TVCHUUSGWSLCCO-MRXNPFEDSA-N 1 0 385.277 2.819 20 0 GFADRO CC(C)(C)CNC(=O)C(C)(C)[NH2+]Cc1cnn2cc(Br)cnc12 ZINC000638788426 565211405 /nfs/dbraw/zinc/21/14/05/565211405.db2.gz XBVBMONAZYPTRF-UHFFFAOYSA-N 1 0 382.306 2.522 20 0 GFADRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)Cc1ccc(Br)c(Br)c1 ZINC000659302227 565211434 /nfs/dbraw/zinc/21/14/34/565211434.db2.gz NSFFWKBXVDYYCL-MWLCHTKSSA-N 1 0 390.119 2.950 20 0 GFADRO Cc1ccc(Br)cc1C(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000638782228 565211683 /nfs/dbraw/zinc/21/16/83/565211683.db2.gz QEFLMYCCRLRIKX-MRXNPFEDSA-N 1 0 381.314 2.988 20 0 GFADRO COCC1(CNC(=O)C(C)(C)Oc2ccc(Br)cc2)CC[NH2+]CC1 ZINC000659308822 565212084 /nfs/dbraw/zinc/21/20/84/565212084.db2.gz GOHKXCISQLAFRS-UHFFFAOYSA-N 1 0 399.329 2.739 20 0 GFADRO O=C(Cc1ccc(Br)c(Br)c1)NCC1=CC[NH2+]CC1 ZINC000659307535 565212129 /nfs/dbraw/zinc/21/21/29/565212129.db2.gz OVPOUCOAXGUESH-UHFFFAOYSA-N 1 0 388.103 2.790 20 0 GFADRO O=C(CN1CC[NH2+]CC1)Nc1nc([C@@H]2CCC[C@H](C(F)(F)F)C2)cs1 ZINC000638826595 565212707 /nfs/dbraw/zinc/21/27/07/565212707.db2.gz QICWQWQRMVINHC-NEPJUHHUSA-N 1 0 376.448 2.823 20 0 GFADRO CN(C[C@H](O)COc1cc(Cl)cc(Cl)c1)C(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000638828064 565213353 /nfs/dbraw/zinc/21/33/53/565213353.db2.gz QEJVHIQHLDXGCW-HOCLYGCPSA-N 1 0 387.307 2.581 20 0 GFADRO [NH3+]C1(C(=O)N[C@@H]2[C@@H]3Cc4c(cccc4Br)[C@@H]32)Cc2ccccc2C1 ZINC000638830262 565213488 /nfs/dbraw/zinc/21/34/88/565213488.db2.gz CTLCMYHGHIRLOW-BPQIPLTHSA-N 1 0 383.289 2.700 20 0 GFADRO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)c2ccc(Br)o2)cc1 ZINC000659352588 565214228 /nfs/dbraw/zinc/21/42/28/565214228.db2.gz MZEVWZHVCHXSDN-KBPBESRZSA-N 1 0 379.254 2.926 20 0 GFADRO C[C@H](C[C@@H]1CCCC(=O)N1)[NH2+]Cc1nnc(-c2ccc(Br)cc2)[nH]1 ZINC000638886223 565215529 /nfs/dbraw/zinc/21/55/29/565215529.db2.gz KCZAHOOCDDHSBW-RISCZKNCSA-N 1 0 392.301 2.771 20 0 GFADRO CC[C@@H](Cc1ccc(Br)cc1)NC(=O)C1(COC)CC[NH2+]CC1 ZINC000659381143 565215847 /nfs/dbraw/zinc/21/58/47/565215847.db2.gz FBVICYPWNPWOHP-INIZCTEOSA-N 1 0 383.330 2.903 20 0 GFADRO O=C([C@@H]1C[C@]12CCC[NH2+]C2)N1CCOC[C@H]1c1cccc(Br)c1 ZINC000659371857 565216067 /nfs/dbraw/zinc/21/60/67/565216067.db2.gz YOKCRTZTFHKHJF-BQFCYCMXSA-N 1 0 379.298 2.739 20 0 GFADRO C[C@@H]1CN(C(=O)c2cc(Br)ccc2Br)C[C@H]1C[NH3+] ZINC000638902606 565216556 /nfs/dbraw/zinc/21/65/56/565216556.db2.gz LFTKALDZYWYTRO-RKDXNWHRSA-N 1 0 376.092 2.878 20 0 GFADRO [NH3+][C@@H]1CN(C(=O)N[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2)CC[C@H]1F ZINC000659480384 565217619 /nfs/dbraw/zinc/21/76/19/565217619.db2.gz LGKAUNOGDUGCKE-VCTAVGKDSA-N 1 0 375.275 2.653 20 0 GFADRO O=C(c1cc(Cl)ccc1Cl)N1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638921830 565218052 /nfs/dbraw/zinc/21/80/52/565218052.db2.gz SZWKMCFLOHGHCD-ZENOOKHLSA-N 1 0 382.291 2.561 20 0 GFADRO CCCOC[C@H](Cc1cccc(Br)c1)NC(=O)N[C@H](C)C[NH2+]C ZINC000659482245 565218151 /nfs/dbraw/zinc/21/81/51/565218151.db2.gz LMEHJUTVWJKXDZ-CJNGLKHVSA-N 1 0 386.334 2.694 20 0 GFADRO Cc1cc(Br)cn2cc(CNC(=O)NCC[C@@H]([NH3+])C(C)C)nc12 ZINC000659482900 565218174 /nfs/dbraw/zinc/21/81/74/565218174.db2.gz VSCMYOPYNCOGBM-CQSZACIVSA-N 1 0 382.306 2.578 20 0 GFADRO CCc1nc(C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)nn1-c1c(Cl)cccc1Cl ZINC000638923612 565218290 /nfs/dbraw/zinc/21/82/90/565218290.db2.gz SPUOQLSAQGYTCH-PHIMTYICSA-N 1 0 380.279 2.713 20 0 GFADRO [NH3+]C1(CNC(=O)NCCOc2ncc(C(F)(F)F)cc2Cl)CCCC1 ZINC000659459236 565218458 /nfs/dbraw/zinc/21/84/58/565218458.db2.gz JWKYDCJWTGTYKG-UHFFFAOYSA-N 1 0 380.798 2.703 20 0 GFADRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)CCSc2ccccc2Cl)C1 ZINC000591184824 565218597 /nfs/dbraw/zinc/21/85/97/565218597.db2.gz IONVJZGANSGJQY-AWEZNQCLSA-N 1 0 383.945 2.526 20 0 GFADRO COc1cccc([C@@H]([NH3+])C(=O)N[C@@H]2[C@H]3Cc4cc(Br)ccc4[C@@H]23)c1 ZINC000638943435 565218703 /nfs/dbraw/zinc/21/87/03/565218703.db2.gz UFQQCAWGOWWEQC-BSDSXHPESA-N 1 0 387.277 2.912 20 0 GFADRO O=C(NC[C@@H]1CCCC[NH2+]1)N1CCOC[C@@H]1c1ccc(Br)cc1 ZINC000659509191 565219384 /nfs/dbraw/zinc/21/93/84/565219384.db2.gz XYAQXRDYGPHRPH-JKSUJKDBSA-N 1 0 382.302 2.674 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)c1cc(Br)cc2[nH]c(=O)[nH]c21 ZINC000617007016 565219285 /nfs/dbraw/zinc/21/92/85/565219285.db2.gz KAGRHBKWXGBEGW-SNVBAGLBSA-N 1 0 381.274 2.634 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)CCNC(=O)c1ccc(Br)cc1 ZINC000617020978 565219530 /nfs/dbraw/zinc/21/95/30/565219530.db2.gz ODOBJERPWDIEHS-OAHLLOKOSA-N 1 0 396.329 2.558 20 0 GFADRO Cn1ccnc1CN1CCC[C@H]([NH2+]Cc2cc(Cl)cc(Cl)c2N)C1=O ZINC000638981266 565219618 /nfs/dbraw/zinc/21/96/18/565219618.db2.gz QHGVEGBDOLNNSD-AWEZNQCLSA-N 1 0 382.295 2.590 20 0 GFADRO Cc1ccc(F)c(C(=O)Nc2cc(N3CC[NH2+]CC3)ccn2)c1Br ZINC000638985535 565220200 /nfs/dbraw/zinc/22/02/00/565220200.db2.gz KJHPMRNRRJIDKX-UHFFFAOYSA-N 1 0 393.260 2.954 20 0 GFADRO CCOC(=O)COc1c(Br)cc(C)cc1CNC[C@@H]1CCCC[NH2+]1 ZINC000591275643 565220827 /nfs/dbraw/zinc/22/08/27/565220827.db2.gz OAKDZEMOCZPYQH-HNNXBMFYSA-N 1 0 399.329 2.931 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CN(C(=O)NCC2(Cc3ccc(Br)cc3)CC2)CCO1 ZINC000659599996 565220917 /nfs/dbraw/zinc/22/09/17/565220917.db2.gz STHUYERJUVMERO-CZUORRHYSA-N 1 0 396.329 2.529 20 0 GFADRO CC(C)[C@H]([NH3+])CCNC(=O)NCc1noc(-c2cccc(Br)c2)n1 ZINC000659621273 565221102 /nfs/dbraw/zinc/22/11/02/565221102.db2.gz WZCAZMOVUUZUMJ-CYBMUJFWSA-N 1 0 396.289 2.672 20 0 GFADRO COC(=O)c1cc(NC(=O)N2CC[NH2+]C(C)(C)C2)c(Br)cc1F ZINC000591287324 565221947 /nfs/dbraw/zinc/22/19/47/565221947.db2.gz NUPDQBDLBUSBEH-UHFFFAOYSA-N 1 0 388.237 2.591 20 0 GFADRO COC(=O)c1cc(NC(=O)N[C@H]2CC[C@H](C[NH3+])C2)c(Br)cc1F ZINC000591287306 565222002 /nfs/dbraw/zinc/22/20/02/565222002.db2.gz LGUOMWHQSBUQCW-IUCAKERBSA-N 1 0 388.237 2.624 20 0 GFADRO Cc1[nH]c(=O)c(C(=O)N2CC[C@@H](C[NH3+])c3ccccc32)cc1Br ZINC000639063338 565222865 /nfs/dbraw/zinc/22/28/65/565222865.db2.gz DPKRWKAHSNOVFH-NSHDSACASA-N 1 0 376.254 2.951 20 0 GFADRO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)Nc1cccc(F)c1I ZINC000591293992 565222995 /nfs/dbraw/zinc/22/29/95/565222995.db2.gz KTHVQQDPPABTBU-IUCAKERBSA-N 1 0 395.191 2.594 20 0 GFADRO COc1ccc2c(c1)CC[N@@H+](Cc1ccc(S(N)(=O)=O)c(Cl)c1)CC2 ZINC000639087205 565224338 /nfs/dbraw/zinc/22/43/38/565224338.db2.gz FQGIGCULHJUSAJ-UHFFFAOYSA-N 1 0 380.897 2.597 20 0 GFADRO CC(C)C[NH+]1CCN(CC(=O)c2c[nH]c3ncc(Br)cc23)CC1 ZINC000659810672 565225394 /nfs/dbraw/zinc/22/53/94/565225394.db2.gz OBNUIBHYOMOXJT-UHFFFAOYSA-N 1 0 379.302 2.782 20 0 GFADRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(Cc2ncsc2Br)CC1 ZINC000659866480 565226320 /nfs/dbraw/zinc/22/63/20/565226320.db2.gz SNWQDLHPBHVKOQ-KBPBESRZSA-N 1 0 387.391 2.896 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+][C@H]2CCOc3c(Br)cccc32)cc1 ZINC000639159569 565230116 /nfs/dbraw/zinc/23/01/16/565230116.db2.gz ZMJVTOHDBORHTA-HNNXBMFYSA-N 1 0 397.294 2.710 20 0 GFADRO Ic1cccc(OCCCN2CC[C@H]3CC[NH2+][C@H]3C2)c1 ZINC000591448516 565231089 /nfs/dbraw/zinc/23/10/89/565231089.db2.gz JVLMRLVRZNFUEH-CJNGLKHVSA-N 1 0 386.277 2.744 20 0 GFADRO CN1CC[C@H]([NH2+]C[C@@]2(C)CCC(=O)N2)C[C@@H]1c1ccc(Br)cc1 ZINC000639245284 565234409 /nfs/dbraw/zinc/23/44/09/565234409.db2.gz VGLPLBFOWBGLHT-LZLYRXPVSA-N 1 0 380.330 2.843 20 0 GFADRO CN1CC[C@@H]([NH2+]CCN2CCC(O)CC2)C[C@@H]1c1ccc(Br)cc1 ZINC000639234979 565234643 /nfs/dbraw/zinc/23/46/43/565234643.db2.gz DPZGEDFOJREQIN-IEBWSBKVSA-N 1 0 396.373 2.631 20 0 GFADRO COc1nsc(C[NH2+]C[C@@H](CO)c2ccc(OC)cc2)c1Br ZINC000639258449 565236648 /nfs/dbraw/zinc/23/66/48/565236648.db2.gz AEVLNAHLSJDNCD-NSHDSACASA-N 1 0 387.299 2.789 20 0 GFADRO Cc1cc(NC(=O)C[NH2+][C@H](C)C[C@H]2CCCC(=O)N2)ccc1Br ZINC000639273352 565237085 /nfs/dbraw/zinc/23/70/85/565237085.db2.gz BIMGVJXPLXCPOR-CHWSQXEVSA-N 1 0 382.302 2.733 20 0 GFADRO C[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)C1 ZINC000617414799 565237244 /nfs/dbraw/zinc/23/72/44/565237244.db2.gz QQPRZDZUNRPKEV-JKSUJKDBSA-N 1 0 384.307 2.808 20 0 GFADRO C[NH+](C)C[C@H]1CCCCN1S(=O)(=O)Cc1ccc(OC(F)(F)F)cc1 ZINC000660009408 565237934 /nfs/dbraw/zinc/23/79/34/565237934.db2.gz RUCGEBBTUGYRQZ-CQSZACIVSA-N 1 0 380.432 2.831 20 0 GFADRO C[C@@H](c1ccccc1)[C@@H](O)C[NH2+]Cc1cnn2cc(Br)cnc12 ZINC000639328409 565239046 /nfs/dbraw/zinc/23/90/46/565239046.db2.gz WSPQLFMHNFGJDD-LRDDRELGSA-N 1 0 375.270 2.746 20 0 GFADRO C[C@H](c1ccccc1)[C@@H](O)C[NH2+]Cc1cnn2cc(Br)cnc12 ZINC000639328413 565239630 /nfs/dbraw/zinc/23/96/30/565239630.db2.gz WSPQLFMHNFGJDD-WBMJQRKESA-N 1 0 375.270 2.746 20 0 GFADRO OCCC1(CCO)CC[NH+](Cc2cc(Br)cc3c2OCC3)CC1 ZINC000639378376 565242437 /nfs/dbraw/zinc/24/24/37/565242437.db2.gz LJUHZIKOHTVJNN-UHFFFAOYSA-N 1 0 384.314 2.731 20 0 GFADRO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)Cc1csc(-c2cccs2)n1 ZINC000617504034 565243025 /nfs/dbraw/zinc/24/30/25/565243025.db2.gz FXGVXAIWNBPLTH-AWEZNQCLSA-N 1 0 380.583 2.802 20 0 GFADRO OCCC1(CCO)CC[NH+](Cc2nc3cc(Br)ccc3o2)CC1 ZINC000639379586 565243649 /nfs/dbraw/zinc/24/36/49/565243649.db2.gz VZNXYKJTVGGXGA-UHFFFAOYSA-N 1 0 383.286 2.937 20 0 GFADRO CCN(C(=O)c1c(O)cnc2c(Br)cccc21)[C@H]1CC[N@H+](C)C1 ZINC000617551788 565246041 /nfs/dbraw/zinc/24/60/41/565246041.db2.gz ZLGZELKFRLVXDP-NSHDSACASA-N 1 0 378.270 2.869 20 0 GFADRO O=C1[C@@H](N2CCO[C@@H](c3ccc(Br)cc3)C2)CCN1C1CCC1 ZINC000639459202 565247130 /nfs/dbraw/zinc/24/71/30/565247130.db2.gz JPUPKQYRUHYYKX-DLBZAZTESA-N 1 0 379.298 2.976 20 0 GFADRO CN(Cc1nnc(C2CC2)n1C)C[C@@H](O)COc1cc(Cl)cc(Cl)c1 ZINC000639509306 565247939 /nfs/dbraw/zinc/24/79/39/565247939.db2.gz YRAFZFLMWPVNRY-CQSZACIVSA-N 1 0 385.295 2.871 20 0 GFADRO COCCOC[C@H]1CC[N@H+](C[C@H](O)COc2cc(Cl)cc(Cl)c2)C1 ZINC000639504055 565248362 /nfs/dbraw/zinc/24/83/62/565248362.db2.gz GJDGAPJIGXYVQU-BBRMVZONSA-N 1 0 378.296 2.718 20 0 GFADRO Clc1ccc(CCN2CC[NH+](C[C@@H]3CCc4ncnn43)CC2)cc1Cl ZINC000639554215 565249805 /nfs/dbraw/zinc/24/98/05/565249805.db2.gz BWQRNNXJRKUMKZ-HNNXBMFYSA-N 1 0 380.323 2.933 20 0 GFADRO C[C@@H]([NH2+]C[C@H]1CCc2ncnn21)c1ccc(Br)cc1OCCCO ZINC000639653007 565254204 /nfs/dbraw/zinc/25/42/04/565254204.db2.gz YTCYLYZFJIDPSV-TZMCWYRMSA-N 1 0 395.301 2.640 20 0 GFADRO COc1ncc(Br)cc1CN1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000660115989 565254964 /nfs/dbraw/zinc/25/49/64/565254964.db2.gz FXFUITCQZWINQA-ARFHVFGLSA-N 1 0 384.318 2.536 20 0 GFADRO CN(CCC[NH+](C)C)CCNC(=O)C1(Cc2ccccc2Br)CC1 ZINC000617763566 565256448 /nfs/dbraw/zinc/25/64/48/565256448.db2.gz VCSIGKDPMUYFSZ-UHFFFAOYSA-N 1 0 396.373 2.772 20 0 GFADRO C[C@H](CCNC(=O)[C@@H](c1cc(Cl)cc(Cl)c1)N1CCOCC1)[NH+](C)C ZINC000617755438 565256704 /nfs/dbraw/zinc/25/67/04/565256704.db2.gz OGQBMTGRXAWUKJ-CXAGYDPISA-N 1 0 388.339 2.823 20 0 GFADRO O=C(C[NH2+][C@H]([C@@H]1CCCO1)C1(CO)CCC1)Nc1ccccc1Br ZINC000639768694 565258185 /nfs/dbraw/zinc/25/81/85/565258185.db2.gz SFWINCGOSIFDSM-DOTOQJQBSA-N 1 0 397.313 2.687 20 0 GFADRO CN(CCC[NH+](C)C)CCNC(=O)c1cc2cc(Br)ccc2[nH]1 ZINC000617767778 565258748 /nfs/dbraw/zinc/25/87/48/565258748.db2.gz CEAXABAROHUXHW-UHFFFAOYSA-N 1 0 381.318 2.544 20 0 GFADRO O=C(C[NH2+][C@@H]([C@@H]1CCCO1)C1(CO)CCC1)Nc1ccccc1Br ZINC000639768697 565258874 /nfs/dbraw/zinc/25/88/74/565258874.db2.gz SFWINCGOSIFDSM-RDJZCZTQSA-N 1 0 397.313 2.687 20 0 GFADRO COC(=O)[C@@H]1C[N@@H+]([C@H](C)C(=O)N(C)Cc2ccc(Br)cc2)C[C@H]1C ZINC000592130003 565258988 /nfs/dbraw/zinc/25/89/88/565258988.db2.gz PEWNAKOLPDBJEP-XJKCOSOUSA-N 1 0 397.313 2.537 20 0 GFADRO [NH3+]C[C@H]1CC[C@H](Cn2cc(Cl)cc(I)c2=O)CC1 ZINC000592166172 565262000 /nfs/dbraw/zinc/26/20/00/565262000.db2.gz HKDPDXFEWHHJFW-MGCOHNPYSA-N 1 0 380.657 2.871 20 0 GFADRO Cc1cccc2cc(S(=O)(=O)N3CCO[C@H](CCC[NH+](C)C)C3)sc21 ZINC000660158075 565262143 /nfs/dbraw/zinc/26/21/43/565262143.db2.gz SMAMFOACLZFXQK-MRXNPFEDSA-N 1 0 382.551 2.941 20 0 GFADRO O[C@@H](COc1ccc(Br)cc1)C[N@@H+]1CCC[C@H](n2ccnn2)CC1 ZINC000639814995 565263699 /nfs/dbraw/zinc/26/36/99/565263699.db2.gz ULNDCLXVEABJLW-JKSUJKDBSA-N 1 0 395.301 2.508 20 0 GFADRO C[C@@H](NC(=O)c1cc(I)cc(C(F)(F)F)c1)[C@H](C)[NH3+] ZINC000592339804 565270191 /nfs/dbraw/zinc/27/01/91/565270191.db2.gz AGBAGNGKJWBPRH-NKWVEPMBSA-N 1 0 386.155 2.776 20 0 GFADRO CS[C@H]1CN(C(=O)c2ncc(Br)s2)C[C@H]1[NH+]1CCCC1 ZINC000618020662 565271773 /nfs/dbraw/zinc/27/17/73/565271773.db2.gz SMIUJIJYHMDBQA-ZJUUUORDSA-N 1 0 376.345 2.557 20 0 GFADRO C[C@H](NC(=O)N(C)Cc1c[nH]cn1)c1cc2c(cc1Br)OCCO2 ZINC000660364509 565272461 /nfs/dbraw/zinc/27/24/61/565272461.db2.gz FYTGPFNJWHVIBX-JTQLQIEISA-N 1 0 395.257 2.846 20 0 GFADRO CO[C@@H]1CN(CC(=O)Nc2ccc(Br)cc2Cl)[C@](C)(CO)C1 ZINC000639999491 565272775 /nfs/dbraw/zinc/27/27/75/565272775.db2.gz JZLZCHAYDIXCDL-NHYWBVRUSA-N 1 0 391.693 2.513 20 0 GFADRO O=C(CC[NH+]1CCC(CCO)(CCO)CC1)Nc1cccc(Br)c1 ZINC000640013289 565274597 /nfs/dbraw/zinc/27/45/97/565274597.db2.gz MHKFZLSBKKJSPN-UHFFFAOYSA-N 1 0 399.329 2.625 20 0 GFADRO O=C([C@H]1CCC[N@@H+]1C1CC1)N1CCN(c2ccc(Br)cc2)CC1 ZINC000618180615 565277019 /nfs/dbraw/zinc/27/70/19/565277019.db2.gz GXYKRUCTRQLHGU-QGZVFWFLSA-N 1 0 378.314 2.725 20 0 GFADRO CC(C)(C)n1nnc(CC[NH2+][C@@H](c2cncc(Br)c2)C2CC2)n1 ZINC000660495657 565279539 /nfs/dbraw/zinc/27/95/39/565279539.db2.gz AKHJMQDTYHSLNH-OAHLLOKOSA-N 1 0 379.306 2.869 20 0 GFADRO C[C@H](C[NH3+])CNC(=O)C[C@@H](C)CCc1ccc(I)cc1 ZINC000592538480 565281054 /nfs/dbraw/zinc/28/10/54/565281054.db2.gz XDZUTEANGOEKTL-QWHCGFSZSA-N 1 0 388.293 2.961 20 0 GFADRO CN(Cc1ccc(F)cc1Br)C(=O)c1cnn2c1[C@H](C[NH3+])CCC2 ZINC000592566278 565282152 /nfs/dbraw/zinc/28/21/52/565282152.db2.gz AVPILMVQYJHKIK-NSHDSACASA-N 1 0 395.276 2.893 20 0 GFADRO CC(=O)c1nc(CC[NH2+][C@@H](CO)c2ccc(Br)c(F)c2)[nH]c1C ZINC000660616119 565285375 /nfs/dbraw/zinc/28/53/75/565285375.db2.gz GVANWIKHGYNBMN-AWEZNQCLSA-N 1 0 384.249 2.688 20 0 GFADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)Nc2cscc2Br)CC1 ZINC000640191179 565286445 /nfs/dbraw/zinc/28/64/45/565286445.db2.gz HZDODRLVZVDSGM-LBPRGKRZSA-N 1 0 389.363 2.906 20 0 GFADRO C[C@H]1CN(CC(=O)c2c[nH]c3ncc(Br)cc23)CC[N@@H+](C2CC2)C1 ZINC000660644665 565286533 /nfs/dbraw/zinc/28/65/33/565286533.db2.gz JAENUGIYGCRFIR-LBPRGKRZSA-N 1 0 391.313 2.924 20 0 GFADRO CN(Cc1cc(Br)cs1)C(=O)C[NH2+]C1(CCO)CCCC1 ZINC000660678072 565288284 /nfs/dbraw/zinc/28/82/84/565288284.db2.gz IRHHAZLICJVIDF-UHFFFAOYSA-N 1 0 375.332 2.754 20 0 GFADRO COCC[N@@H+]1CC[C@H](NC(=O)N2CC[C@@H]2c2ccc(Br)cc2)C1 ZINC000660705597 565289431 /nfs/dbraw/zinc/28/94/31/565289431.db2.gz HMNFWTDLASHZGU-JKSUJKDBSA-N 1 0 382.302 2.626 20 0 GFADRO COCC[N@H+](C)CCCNC(=O)N1CC[C@H]1c1ccc(Br)cc1 ZINC000660826460 565295320 /nfs/dbraw/zinc/29/53/20/565295320.db2.gz AQJSRKZPKKPUFA-INIZCTEOSA-N 1 0 384.318 2.874 20 0 GFADRO Cn1cc(Br)c(NC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)n1 ZINC000640307622 565297178 /nfs/dbraw/zinc/29/71/78/565297178.db2.gz FLRTURMWEBDEFA-UHFFFAOYSA-N 1 0 392.301 3.100 20 0 GFADRO CC[NH+](CC)[C@H]1CCN(C(=O)Nc2nnc(C(F)(F)C(F)(F)F)s2)C1 ZINC000640384266 565304970 /nfs/dbraw/zinc/30/49/70/565304970.db2.gz MEOHPNOTYKYCMY-QMMMGPOBSA-N 1 0 387.378 3.140 20 0 GFADRO C[C@@H](NC(=O)Nc1nnc(C(F)(F)C(F)(F)F)s1)C(C)(C)C[NH+](C)C ZINC000640384213 565305164 /nfs/dbraw/zinc/30/51/64/565305164.db2.gz BLXKUGQRICQSBW-SSDOTTSWSA-N 1 0 389.394 3.290 20 0 GFADRO CN(C)S(=O)(=O)c1ccc(OCC[N@@H+]2CCCc3sccc3C2)cc1 ZINC000592982910 565305688 /nfs/dbraw/zinc/30/56/88/565305688.db2.gz HYIPSKFRDBRVCI-UHFFFAOYSA-N 1 0 380.535 2.826 20 0 GFADRO O=C(CC[N@@H+]1CC[C@H](Cn2ccnn2)C1)Nc1ccc(Br)cc1F ZINC000661144511 565309702 /nfs/dbraw/zinc/30/97/02/565309702.db2.gz FZDBANCQONRNKR-LBPRGKRZSA-N 1 0 396.264 2.530 20 0 GFADRO COC[C@H]([NH2+]Cc1ccc(OC)c(OC)c1Br)C1CCOCC1 ZINC000661157254 565310566 /nfs/dbraw/zinc/31/05/66/565310566.db2.gz HLOFNQYKNRSGDU-AWEZNQCLSA-N 1 0 388.302 2.998 20 0 GFADRO COC[C@@H]([NH2+]C[C@H](O)COc1ccc(Cl)cc1Cl)C1CCOCC1 ZINC000661160855 565311264 /nfs/dbraw/zinc/31/12/64/565311264.db2.gz ONIYPJFTUNHLKQ-GOEBONIOSA-N 1 0 378.296 2.764 20 0 GFADRO C[C@@H]1COC2(CCC2)C[N@@H+]1C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000661470077 565324992 /nfs/dbraw/zinc/32/49/92/565324992.db2.gz RCPVGHZKFPOEFL-IUODEOHRSA-N 1 0 388.277 2.971 20 0 GFADRO Cc1ccc(NC(=O)Cn2cc(C[C@H]3CCC[NH2+]C3)nn2)c(Br)c1 ZINC000640772298 565325231 /nfs/dbraw/zinc/32/52/31/565325231.db2.gz WBUQCTJFAZUFDD-CYBMUJFWSA-N 1 0 392.301 2.530 20 0 GFADRO C[C@@H]1CCC[N@H+](C[C@H](O)COc2cc(F)cc(Br)c2)[C@H]1CCO ZINC000661490609 565325998 /nfs/dbraw/zinc/32/59/98/565325998.db2.gz FEIMNEBZCJLQPB-PVUWLOKVSA-N 1 0 390.293 2.811 20 0 GFADRO C[C@H]1CCC[N@H+](CC(=O)N(C)Cc2ccccc2Br)[C@@H]1CCO ZINC000661484455 565326141 /nfs/dbraw/zinc/32/61/41/565326141.db2.gz HFQWKPKKDLIJEO-WMLDXEAASA-N 1 0 383.330 2.890 20 0 GFADRO CN(Cc1ccc(Cl)s1)C(=O)Cn1cc(CC[NH+]2CCCCC2)nn1 ZINC000640855987 565331350 /nfs/dbraw/zinc/33/13/50/565331350.db2.gz YZIKCULZNVITGP-UHFFFAOYSA-N 1 0 381.933 2.680 20 0 GFADRO Clc1ccc(OCCn2cc(C[C@H]3CC[NH2+]C3)nn2)c(Br)c1 ZINC000640859332 565332112 /nfs/dbraw/zinc/33/21/12/565332112.db2.gz MJQYVEKMTJLKMM-LLVKDONJSA-N 1 0 385.693 2.925 20 0 GFADRO CC[NH+]1CCN([C@@H]2CCN(c3ncnc4cc(Br)sc43)C2)CC1 ZINC000593462996 565332089 /nfs/dbraw/zinc/33/20/89/565332089.db2.gz JTARKLMAGHOVBF-GFCCVEGCSA-N 1 0 396.358 2.670 20 0 GFADRO CCCCCNC(=O)[C@H](C)n1cc([C@@H]([NH3+])c2ccc(Br)cc2)nn1 ZINC000640905159 565336021 /nfs/dbraw/zinc/33/60/21/565336021.db2.gz WXOFYIAIUMPXPA-LRDDRELGSA-N 1 0 394.317 2.956 20 0 GFADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000619336809 565337016 /nfs/dbraw/zinc/33/70/16/565337016.db2.gz NURYLUGOCFTGKP-QGZVFWFLSA-N 1 0 397.361 2.617 20 0 GFADRO FC(F)Oc1ccc(Br)cc1Cn1cc(C[C@H]2CC[NH2+]C2)nn1 ZINC000641010298 565340948 /nfs/dbraw/zinc/34/09/48/565340948.db2.gz SEQPDAFFZJJBSY-SNVBAGLBSA-N 1 0 387.228 2.842 20 0 GFADRO COc1ccc(Br)c(Cn2cc([C@H]([NH3+])C3CCOCC3)nn2)c1 ZINC000641058900 565344381 /nfs/dbraw/zinc/34/43/81/565344381.db2.gz YPFMQMMUQRUMRE-MRXNPFEDSA-N 1 0 381.274 2.524 20 0 GFADRO CS[C@@H]1CN(C(=O)[C@H](C[C@@H]2CCCO2)C(F)(F)F)C[C@@H]1[NH+]1CCCC1 ZINC000593602284 565345844 /nfs/dbraw/zinc/34/58/44/565345844.db2.gz NTTBBTRVDLWTPQ-ZQDZILKHSA-N 1 0 380.476 2.772 20 0 GFADRO C[C@H](c1cccc(Br)c1)n1cc(CCN2CCC([NH3+])CC2)nn1 ZINC000641134808 565350087 /nfs/dbraw/zinc/35/00/87/565350087.db2.gz OZJLIWWHUSGSCX-CYBMUJFWSA-N 1 0 378.318 2.616 20 0 GFADRO Brc1ccc2nc(Cn3cc(C[C@H]4CCC[NH2+]C4)nn3)oc2c1 ZINC000641130471 565350113 /nfs/dbraw/zinc/35/01/13/565350113.db2.gz MUMIWDMTMVRWCT-LLVKDONJSA-N 1 0 376.258 2.772 20 0 GFADRO C[C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000662153015 565350824 /nfs/dbraw/zinc/35/08/24/565350824.db2.gz LZQOQADCDQYZAF-IUODEOHRSA-N 1 0 386.323 2.851 20 0 GFADRO Cc1cc(Br)c(Cn2cc(Cn3cc(C[NH3+])cn3)nn2)cc1Cl ZINC000641170654 565351783 /nfs/dbraw/zinc/35/17/83/565351783.db2.gz GDAAKXLJMVNQQQ-UHFFFAOYSA-N 1 0 395.692 2.754 20 0 GFADRO CC(C)(C)c1nnc(Cn2cc([C@H]([NH3+])c3ccc(Br)cc3)nn2)[nH]1 ZINC000641171126 565351993 /nfs/dbraw/zinc/35/19/93/565351993.db2.gz NCOHFRLGOLLWCP-CQSZACIVSA-N 1 0 390.289 2.553 20 0 GFADRO CCSc1ccc(Cn2cc(CC[NH2+]CCOC)nn2)c(Br)c1 ZINC000641185699 565353389 /nfs/dbraw/zinc/35/33/89/565353389.db2.gz BKPSHLJXTXDYAH-UHFFFAOYSA-N 1 0 399.358 2.979 20 0 GFADRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N1CCc2[nH]c3c(cccc3Br)c2C1 ZINC000641247917 565355720 /nfs/dbraw/zinc/35/57/20/565355720.db2.gz NIRLGCRJTSTYBE-ABAIWWIYSA-N 1 0 391.313 2.996 20 0 GFADRO CN(CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)CC1=CCSC1 ZINC000662268095 565357508 /nfs/dbraw/zinc/35/75/08/565357508.db2.gz OVLLNAQDVSZNOY-UHFFFAOYSA-N 1 0 377.579 2.779 20 0 GFADRO COc1ncc(Br)cc1CN1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000662279926 565358030 /nfs/dbraw/zinc/35/80/30/565358030.db2.gz ATNCNRSYTJIMTB-JKSUJKDBSA-N 1 0 380.261 2.919 20 0 GFADRO [NH3+]CC1(CCNC(=O)Nc2cc(F)c(F)cc2I)CC1 ZINC000593759066 565359422 /nfs/dbraw/zinc/35/94/22/565359422.db2.gz GXZRGJTUUSSYJJ-UHFFFAOYSA-N 1 0 395.191 2.820 20 0 GFADRO C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)N(C)[C@@H](C[NH3+])C(F)(F)F ZINC000662327993 565360734 /nfs/dbraw/zinc/36/07/34/565360734.db2.gz AKFWWSNVNXKBGN-GWCFXTLKSA-N 1 0 396.251 2.617 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CNC(=O)C[C@@H](C[NH3+])CC(C)C ZINC000662429766 565367803 /nfs/dbraw/zinc/36/78/03/565367803.db2.gz PNBIIGWIXZNTAS-ZDUSSCGKSA-N 1 0 384.318 2.823 20 0 GFADRO O=C(N[C@H]1CCc2c1cccc2Br)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC000662441536 565368669 /nfs/dbraw/zinc/36/86/69/565368669.db2.gz JXWWOHMMTKJLSJ-BONVTDFDSA-N 1 0 375.270 2.666 20 0 GFADRO O=C(NCC1(c2ccccc2Br)CC1)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC000662470935 565370031 /nfs/dbraw/zinc/37/00/31/565370031.db2.gz DOSPAHPDLOEZRN-GFCCVEGCSA-N 1 0 389.297 2.711 20 0 GFADRO N[C@H](C(=O)N1CC[C@H](C[NH+]2CCCCC2)C1)c1ccccc1Br ZINC000662477969 565371003 /nfs/dbraw/zinc/37/10/03/565371003.db2.gz KOHCBDPKHVJSRJ-PBHICJAKSA-N 1 0 380.330 2.783 20 0 GFADRO Cc1cc(Br)cc2c1CN(C(=O)c1c[nH]nc1[C@@H]1CC[NH2+]C1)CC2 ZINC000662511323 565373830 /nfs/dbraw/zinc/37/38/30/565373830.db2.gz ILVCNOKXOWWJNZ-CYBMUJFWSA-N 1 0 389.297 2.756 20 0 GFADRO CC(C)C[C@@H](NC(=O)c1cc2c(s1)CC[NH2+]C2)C(=O)Nc1nccs1 ZINC000662509411 565374000 /nfs/dbraw/zinc/37/40/00/565374000.db2.gz FPUOPDIAFCLWMF-GFCCVEGCSA-N 1 0 378.523 2.634 20 0 GFADRO CC(=O)Nc1ccc(Br)cc1NC(=O)c1cc(C(C)(C)[NH3+])no1 ZINC000662541568 565376369 /nfs/dbraw/zinc/37/63/69/565376369.db2.gz TWFPYCIMEKVNLI-UHFFFAOYSA-N 1 0 381.230 2.842 20 0 GFADRO N[C@@H](C(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1)c1ccccc1Br ZINC000662587014 565378311 /nfs/dbraw/zinc/37/83/11/565378311.db2.gz UERRJCNODDCIFZ-WMLDXEAASA-N 1 0 380.330 2.687 20 0 GFADRO [NH3+][C@H]1CCCO[C@H]1C1CCN(C(=O)Cc2ccc(Br)cc2F)CC1 ZINC000662576068 565378460 /nfs/dbraw/zinc/37/84/60/565378460.db2.gz VVCXZMSKOMJSKF-WMZOPIPTSA-N 1 0 399.304 2.876 20 0 GFADRO [NH3+][C@H]1CCO[C@@H](C2CCN(C(=O)Cc3ccc(Br)cc3F)CC2)C1 ZINC000662575929 565378639 /nfs/dbraw/zinc/37/86/39/565378639.db2.gz RQHGUJXESNSNGZ-DOTOQJQBSA-N 1 0 399.304 2.876 20 0 GFADRO COCC[NH2+]C1CCN(C(=O)Cc2c(Cl)cccc2Br)CC1 ZINC000662581988 565378677 /nfs/dbraw/zinc/37/86/77/565378677.db2.gz ZHFGTRWMPFXZIU-UHFFFAOYSA-N 1 0 389.721 2.872 20 0 GFADRO Cn1ncc(C2CCC2)c1CNC(=O)[C@@](C)([NH3+])c1ccc(Br)cc1 ZINC000662701828 565382132 /nfs/dbraw/zinc/38/21/32/565382132.db2.gz SZZPDLQQUFZUTP-SFHVURJKSA-N 1 0 391.313 2.940 20 0 GFADRO CC1(C)CC[NH2+][C@@H]1C(=O)NC[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000662692034 565382381 /nfs/dbraw/zinc/38/23/81/565382381.db2.gz MISRXLDRHHWHCS-CZUORRHYSA-N 1 0 380.330 2.780 20 0 GFADRO Cc1cc(C(=O)N2CC3CC2(C[NH3+])C3)nn1-c1ccc(Br)cc1 ZINC000662678072 565382530 /nfs/dbraw/zinc/38/25/30/565382530.db2.gz BEOWLRLFXAWPRY-UHFFFAOYSA-N 1 0 375.270 2.507 20 0 GFADRO Cc1ccc2c(c1Br)CN(C(=O)c1cc([C@@H]3CC[NH2+]C3)n[nH]1)C2 ZINC000662739271 565383011 /nfs/dbraw/zinc/38/30/11/565383011.db2.gz NQIQFDLDQNHOHM-LLVKDONJSA-N 1 0 375.270 2.714 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)NCC[C@@H]([NH3+])C(C)C ZINC000662728191 565383560 /nfs/dbraw/zinc/38/35/60/565383560.db2.gz IQDMGGZHYNKPHM-LSDHHAIUSA-N 1 0 386.583 2.841 20 0 GFADRO Cc1c(F)c(Br)ccc1C(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000620475540 565384537 /nfs/dbraw/zinc/38/45/37/565384537.db2.gz ROXHVJFQWWJZQG-ZDUSSCGKSA-N 1 0 385.277 2.568 20 0 GFADRO Cc1c(Br)ccc(C(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)c1F ZINC000620478701 565385061 /nfs/dbraw/zinc/38/50/61/565385061.db2.gz FTGRLEDISGEBCU-CYBMUJFWSA-N 1 0 385.277 2.568 20 0 GFADRO O=C(CCOc1ccc(Cl)cc1Cl)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000620486767 565385869 /nfs/dbraw/zinc/38/58/69/565385869.db2.gz NAWJONJSADBGNP-HNNXBMFYSA-N 1 0 387.307 2.820 20 0 GFADRO O=C(c1ccc(Br)c(Cl)c1)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000620483077 565386099 /nfs/dbraw/zinc/38/60/99/565386099.db2.gz XYGKPQVSIFRKBS-ZDUSSCGKSA-N 1 0 387.705 2.774 20 0 GFADRO O=C(c1ccc(Cl)cc1Br)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000620482138 565386245 /nfs/dbraw/zinc/38/62/45/565386245.db2.gz JUFSPJYXJWPEHN-ZDUSSCGKSA-N 1 0 387.705 2.774 20 0 GFADRO O=C(N1CCO[C@@H](c2ccc(F)cc2Cl)C1)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662802175 565386301 /nfs/dbraw/zinc/38/63/01/565386301.db2.gz GKEPTACYRAKDPP-UKRRQHHQSA-N 1 0 380.769 2.921 20 0 GFADRO C[NH2+]CCCC(=O)N1CCC(NC(=O)CSc2ccc(Cl)cc2)CC1 ZINC000662941021 565390022 /nfs/dbraw/zinc/39/00/22/565390022.db2.gz RRUBXOWIPSBSLX-UHFFFAOYSA-N 1 0 383.945 2.539 20 0 GFADRO C[NH2+]C[C@@H](C)NC(=O)c1nn(-c2cccc(Br)c2)c2c1CCCC2 ZINC000662961310 565390612 /nfs/dbraw/zinc/39/06/12/565390612.db2.gz WKZRNKXHKYQTLS-GFCCVEGCSA-N 1 0 391.313 2.851 20 0 GFADRO C[NH2+]C[C@H](C)NC(=O)c1cccc(NC(=O)c2ccc(Br)o2)c1 ZINC000662959610 565391266 /nfs/dbraw/zinc/39/12/66/565391266.db2.gz JZTUFIIYGPPKAW-JTQLQIEISA-N 1 0 380.242 2.632 20 0 GFADRO CN1CC[NH+](CC2CN(c3nc4c(F)cccc4cc3Br)C2)CC1 ZINC000641655036 565391410 /nfs/dbraw/zinc/39/14/10/565391410.db2.gz WFGNQCGBLDRWDF-UHFFFAOYSA-N 1 0 393.304 2.820 20 0 GFADRO C[C@@]1(NC(=O)c2ccc(NC(=O)c3ccc(Br)o3)cc2)CC[NH2+]C1 ZINC000663007312 565392211 /nfs/dbraw/zinc/39/22/11/565392211.db2.gz ARBKMUZIMCQKKG-QGZVFWFLSA-N 1 0 392.253 2.776 20 0 GFADRO C[C@@]1(NC(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)c(Cl)c3)C2)CC[NH2+]C1 ZINC000663009390 565392553 /nfs/dbraw/zinc/39/25/53/565392553.db2.gz SWCPOQHWPIMCFP-FZKQIMNGSA-N 1 0 384.307 2.714 20 0 GFADRO O=C(Nc1ccc(Br)cn1)C1CC[NH+](CCC2(O)CCC2)CC1 ZINC000663172296 565397519 /nfs/dbraw/zinc/39/75/19/565397519.db2.gz DKTQQMMPDTYEQY-UHFFFAOYSA-N 1 0 382.302 2.800 20 0 GFADRO Ic1ccc(OCC[NH2+]Cc2cc3n(n2)CCCC3)cc1 ZINC000594524655 565397851 /nfs/dbraw/zinc/39/78/51/565397851.db2.gz RCRODMFNFPDYKQ-UHFFFAOYSA-N 1 0 397.260 2.993 20 0 GFADRO Cc1cc(Br)ccc1[C@@H](C)[NH2+]CCCCn1cc(C(N)=O)nn1 ZINC000641780540 565398600 /nfs/dbraw/zinc/39/86/00/565398600.db2.gz GGNGQRKQPIJWKY-GFCCVEGCSA-N 1 0 380.290 2.579 20 0 GFADRO COC[C@@]1(CNC(=O)N2CC[C@@H](Sc3cccc(Cl)c3)C2)CCC[NH2+]1 ZINC000641812457 565399622 /nfs/dbraw/zinc/39/96/22/565399622.db2.gz MHGWKJQZGAYBMN-AEFFLSMTSA-N 1 0 383.945 2.985 20 0 GFADRO O=C(Cc1ccc(Br)cc1O)NCC1CC[NH+](CC2CC2)CC1 ZINC000620933284 565402316 /nfs/dbraw/zinc/40/23/16/565402316.db2.gz QKTFDHJACLBAFD-UHFFFAOYSA-N 1 0 381.314 2.935 20 0 GFADRO C[NH+](C)CCC[C@H]1CN(C(=O)Cc2ccc(F)cc2Br)CCO1 ZINC000620973919 565402935 /nfs/dbraw/zinc/40/29/35/565402935.db2.gz CNCHRLCDMIXIRT-HNNXBMFYSA-N 1 0 387.293 2.700 20 0 GFADRO COC(=O)c1ccc(CNC2CC[NH+]([C@H]3CCOC3)CC2)c(Br)c1 ZINC000594607228 565403203 /nfs/dbraw/zinc/40/32/03/565403203.db2.gz QSJTYKXQLMHPMN-INIZCTEOSA-N 1 0 397.313 2.579 20 0 GFADRO O=C(NC[C@H]1C[NH2+]CCO1)N1CCCC[C@@H]1Cc1ccccc1Br ZINC000642013773 565404261 /nfs/dbraw/zinc/40/42/61/565404261.db2.gz DTLWJACXYLRKIF-HZPDHXFCSA-N 1 0 396.329 2.544 20 0 GFADRO COCC[NH+]1CCC(NC(=O)CCc2ccc(Br)cc2F)CC1 ZINC000621038324 565404560 /nfs/dbraw/zinc/40/45/60/565404560.db2.gz YDWJYCOXFUKYTO-UHFFFAOYSA-N 1 0 387.293 2.748 20 0 GFADRO CC[C@@H]1CN(C(=O)C(=O)N[C@H](C)c2cc(F)c(Cl)cc2Cl)CC[C@H]1[NH3+] ZINC000642096170 565404961 /nfs/dbraw/zinc/40/49/61/565404961.db2.gz KQDLZRNYKMWBQZ-IQMDTDKHSA-N 1 0 390.286 2.896 20 0 GFADRO C[C@@H](NC(=O)C(=O)NC[C@@H]1CCCC[NH2+]1)c1cc(F)c(Cl)cc1Cl ZINC000642096192 565405356 /nfs/dbraw/zinc/40/53/56/565405356.db2.gz NCPSNMBTRSQMPG-ZJUUUORDSA-N 1 0 376.259 2.568 20 0 GFADRO CC(C)[C@H]1CN(C(=O)c2c(O)cnc3c(Br)cccc32)CC[NH2+]1 ZINC000621160001 565408253 /nfs/dbraw/zinc/40/82/53/565408253.db2.gz XBCWRIJEJZQOEJ-CYBMUJFWSA-N 1 0 378.270 2.773 20 0 GFADRO CCSc1nnc(NC(=O)NCCC[N@@H+]2CCc3ccccc3C2)s1 ZINC000642401019 565412509 /nfs/dbraw/zinc/41/25/09/565412509.db2.gz YLYKGVZDTZMIQX-UHFFFAOYSA-N 1 0 377.539 3.220 20 0 GFADRO Cc1cc(NC(=O)NCC(C)(C)N2CC[NH+](C)CC2)ccc1Br ZINC000642396812 565412777 /nfs/dbraw/zinc/41/27/77/565412777.db2.gz MINFYBGYLVLXDC-UHFFFAOYSA-N 1 0 383.334 2.905 20 0 GFADRO COc1cc(CN2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)c(Br)cn1 ZINC000621269460 565413683 /nfs/dbraw/zinc/41/36/83/565413683.db2.gz VVJJKZJIGXRFKL-CWRNSKLLSA-N 1 0 384.318 2.536 20 0 GFADRO O=S1(=O)CCN(C2CC[NH+](CCCCc3cccc(Cl)c3)CC2)CC1 ZINC000621275153 565414722 /nfs/dbraw/zinc/41/47/22/565414722.db2.gz LCXQTJYSRWIYFK-UHFFFAOYSA-N 1 0 384.973 2.858 20 0 GFADRO C[C@H](O)[C@@H]([NH2+]CCS(=O)(=O)c1cccc(Br)c1)c1ccccc1 ZINC000663376432 565416045 /nfs/dbraw/zinc/41/60/45/565416045.db2.gz RFRWBTAPBWOCKH-SUMWQHHRSA-N 1 0 398.322 2.935 20 0 GFADRO C[C@H](NC(=O)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1)c1c(Cl)ccc(F)c1Cl ZINC000642719770 565417399 /nfs/dbraw/zinc/41/73/99/565417399.db2.gz CVRZRWSVKRXNGV-OPQQBVKSSA-N 1 0 388.270 2.520 20 0 GFADRO O=C(NC[C@@H]1CCCC[NH2+]1)C(=O)N(Cc1ccc(Cl)c(Cl)c1)C1CC1 ZINC000642906283 565418839 /nfs/dbraw/zinc/41/88/39/565418839.db2.gz FAQQKEXSVSMWSY-ZDUSSCGKSA-N 1 0 384.307 2.743 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)C1=Cc2cc(Br)ccc2OC1 ZINC000642923420 565418914 /nfs/dbraw/zinc/41/89/14/565418914.db2.gz WWYCFTKHJNPVRB-CVEARBPZSA-N 1 0 377.282 2.968 20 0 GFADRO CS(=O)(=O)NCCC[NH2+][C@@H]1CCCSc2ccc(Br)cc21 ZINC000663438953 565421048 /nfs/dbraw/zinc/42/10/48/565421048.db2.gz XAVWETXETCAQDG-CYBMUJFWSA-N 1 0 393.372 2.905 20 0 GFADRO Cn1cnc(CCC[NH2+]Cc2cc(Cl)ccc2I)n1 ZINC000594949890 565437092 /nfs/dbraw/zinc/43/70/92/565437092.db2.gz HJYTYLBSNQKXMA-UHFFFAOYSA-N 1 0 390.656 2.796 20 0 GFADRO C[C@@H]1C[N@@H+](CCCCNc2nnc3ccc(Br)cn32)C[C@H](C)O1 ZINC000663705593 565431831 /nfs/dbraw/zinc/43/18/31/565431831.db2.gz SDYOQWZPBADWCO-BETUJISGSA-N 1 0 382.306 2.793 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)CC[C@H]1CCC[NH2+]C1 ZINC000621624955 565433244 /nfs/dbraw/zinc/43/32/44/565433244.db2.gz CJDWVUZNCHBXGI-CYBMUJFWSA-N 1 0 382.302 2.592 20 0 GFADRO O=C(c1cc2c(cc1Br)OCO2)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000621657022 565435204 /nfs/dbraw/zinc/43/52/04/565435204.db2.gz ASXYQLWKBKNVAW-GFCCVEGCSA-N 1 0 381.270 2.640 20 0 GFADRO O=C(NC1CC[NH+](CC2CC2)CC1)c1cc2c(cc1Br)OCO2 ZINC000621663212 565436234 /nfs/dbraw/zinc/43/62/34/565436234.db2.gz BELBFWNYXWCODJ-UHFFFAOYSA-N 1 0 381.270 2.782 20 0 GFADRO CO[C@H](C[NH2+]Cc1ccc(F)cc1I)[C@H]1CCOC1 ZINC000594949633 565436973 /nfs/dbraw/zinc/43/69/73/565436973.db2.gz FMYWORXJONLLTL-SMDDNHRTSA-N 1 0 379.213 2.571 20 0 GFADRO O[C@]1(CC[NH2+]Cc2cc(Cl)ccc2I)CCCOC1 ZINC000594950404 565436878 /nfs/dbraw/zinc/43/68/78/565436878.db2.gz UIWROKRDDATGLN-AWEZNQCLSA-N 1 0 395.668 2.966 20 0 GFADRO COC[C@](C)(O)CC[NH2+]Cc1cc(Cl)ccc1I ZINC000594943479 565436965 /nfs/dbraw/zinc/43/69/65/565436965.db2.gz JJKOTDNKVQVJRK-CYBMUJFWSA-N 1 0 383.657 2.822 20 0 GFADRO CO[C@@H](C[NH2+]Cc1c(F)ccc(I)c1F)[C@H]1CCOC1 ZINC000594948970 565437016 /nfs/dbraw/zinc/43/70/16/565437016.db2.gz CXBQHYBGMPSABF-ZANVPECISA-N 1 0 397.203 2.711 20 0 GFADRO [NH3+][C@]12CCC[C@H]1CN(C(=O)c1cn(-c3ccc(Br)cc3)cn1)C2 ZINC000621684999 565437115 /nfs/dbraw/zinc/43/71/15/565437115.db2.gz WRYADMAVXWYBBX-SJCJKPOMSA-N 1 0 375.270 2.588 20 0 GFADRO [NH3+][C@@]12CCC[C@H]1CN(C(=O)c1cc(=O)[nH]c3c(Br)cccc13)C2 ZINC000621681119 565437308 /nfs/dbraw/zinc/43/73/08/565437308.db2.gz NDSAVEUVKFUALB-DYZYQPBXSA-N 1 0 376.254 2.656 20 0 GFADRO O=C(CNC(=O)N[C@@H]1CC[N@H+](CC2CC2)C1)Nc1cc(Cl)ccc1Cl ZINC000594952867 565437596 /nfs/dbraw/zinc/43/75/96/565437596.db2.gz SWPQGUOGZFVIJH-CYBMUJFWSA-N 1 0 385.295 2.715 20 0 GFADRO C[N@@H+]1CCC[C@H](CNC(=O)N[C@@H]2CCOc3ccc(Br)cc32)C1 ZINC000594975671 565438087 /nfs/dbraw/zinc/43/80/87/565438087.db2.gz AOWVRSJJSIWIFK-IUODEOHRSA-N 1 0 382.302 2.914 20 0 GFADRO C[C@H](CN[C@H](c1ccc(Br)cc1)C(F)F)N1CC[NH+](C)CC1 ZINC000621752085 565439436 /nfs/dbraw/zinc/43/94/36/565439436.db2.gz UGBNOJJUTSOKDM-IUODEOHRSA-N 1 0 376.289 2.981 20 0 GFADRO CSCc1cnc(CNC[C@@H]2C[N@H+](C)CCN2Cc2ccccc2)s1 ZINC000594995670 565441073 /nfs/dbraw/zinc/44/10/73/565441073.db2.gz ROVLHUDHEFULPO-QGZVFWFLSA-N 1 0 376.595 2.912 20 0 GFADRO CS[C@H](CO)[C@H](C)[NH2+][C@H]1CCc2ccc(I)cc21 ZINC000595010627 565442715 /nfs/dbraw/zinc/44/27/15/565442715.db2.gz VMIMVCOFNLXDIM-QCZZGDTMSA-N 1 0 377.291 2.981 20 0 GFADRO O=C1C[C@@H]([NH2+][C@H]2CCc3ccc(I)cc32)CN1C1CC1 ZINC000595025868 565443849 /nfs/dbraw/zinc/44/38/49/565443849.db2.gz JMQMIEOMPIYOGF-DOMZBBRYSA-N 1 0 382.245 2.631 20 0 GFADRO O=C(C[NH2+][C@H]1COC2(CCC2)C1)Nc1ccc(I)cc1 ZINC000595041132 565444413 /nfs/dbraw/zinc/44/44/13/565444413.db2.gz YIJMNSVMZZVSDT-CYBMUJFWSA-N 1 0 386.233 2.531 20 0 GFADRO C[S@](=O)C1(C[NH2+][C@H]2CCc3ccc(I)cc32)CC1 ZINC000595037582 565444562 /nfs/dbraw/zinc/44/45/62/565444562.db2.gz BOTKSUNPMDEJQW-UGSOOPFHSA-N 1 0 375.275 2.779 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)NCC[C@H](C)[NH+](C)C ZINC000663921504 565444598 /nfs/dbraw/zinc/44/45/98/565444598.db2.gz OHZQLNFTLWAKEB-ZDUSSCGKSA-N 1 0 399.333 2.726 20 0 GFADRO CCS(=O)(=O)CCC[NH2+][C@H]1CCc2ccc(I)cc21 ZINC000595046230 565445930 /nfs/dbraw/zinc/44/59/30/565445930.db2.gz YVVPRQQWIJHMMA-AWEZNQCLSA-N 1 0 393.290 2.693 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCC[C@@H]([S@](C)=O)C1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000595071212 565446599 /nfs/dbraw/zinc/44/65/99/565446599.db2.gz PMWHIVDOPYZJKY-TWJFSAJASA-N 1 0 384.567 2.567 20 0 GFADRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3cc4c(cc3Br)OCO4)CC[C@H]21 ZINC000621919130 565448348 /nfs/dbraw/zinc/44/83/48/565448348.db2.gz YOBVMUDLQMHGBD-SMDDNHRTSA-N 1 0 381.270 2.734 20 0 GFADRO CS(=O)(=O)N1CCCC[C@H]1C[NH2+][C@H](Cc1ccncc1)c1cccs1 ZINC000643893586 565450050 /nfs/dbraw/zinc/45/00/50/565450050.db2.gz DEYMVMVOFMSDJS-DLBZAZTESA-N 1 0 379.551 2.831 20 0 GFADRO Brc1cnc(C2CC2)nc1N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000664080614 565452041 /nfs/dbraw/zinc/45/20/41/565452041.db2.gz YETXYISLLHYGBY-CQSZACIVSA-N 1 0 381.318 2.808 20 0 GFADRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(C(=O)CCn2cc(Br)cn2)C1 ZINC000622010724 565454310 /nfs/dbraw/zinc/45/43/10/565454310.db2.gz VADJDLDICGPJKD-FMKPAKJESA-N 1 0 383.334 2.900 20 0 GFADRO C[C@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000622027098 565456025 /nfs/dbraw/zinc/45/60/25/565456025.db2.gz XQRHERFHCBRKGK-AEDCBLDQSA-N 1 0 384.307 2.853 20 0 GFADRO C[C@H]1CCCN(C(=O)c2ccc(-n3cc(Br)cn3)cc2)[C@H]1C[NH3+] ZINC000644063696 565456084 /nfs/dbraw/zinc/45/60/84/565456084.db2.gz TZRFWWDEIAUDJZ-LRDDRELGSA-N 1 0 377.286 2.834 20 0 GFADRO O=C(NCC12CC(C1)C[NH2+]2)Nc1cc(I)ccc1Cl ZINC000595235976 565456705 /nfs/dbraw/zinc/45/67/05/565456705.db2.gz MCTWXDKDNKIFMW-UHFFFAOYSA-N 1 0 391.640 2.818 20 0 GFADRO CC1(C)[NH2+]CC[C@@H]1NC(=O)Nc1ccc(I)cc1F ZINC000595235455 565456942 /nfs/dbraw/zinc/45/69/42/565456942.db2.gz GGSFVZRAXSKUJW-NSHDSACASA-N 1 0 377.201 2.692 20 0 GFADRO Cc1cc(I)cc(NC(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)c1 ZINC000595231857 565457009 /nfs/dbraw/zinc/45/70/09/565457009.db2.gz CMXKQRUKZYTWDL-VXGBXAGGSA-N 1 0 377.201 2.503 20 0 GFADRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1cc2c(cc1Br)OCO2 ZINC000622048033 565459066 /nfs/dbraw/zinc/45/90/66/565459066.db2.gz GFILOXPNOBMYDM-VXGBXAGGSA-N 1 0 381.270 2.877 20 0 GFADRO CC[C@H]1[NH2+]CC[C@H]1C(=O)NCc1cc(Cl)ccc1I ZINC000595256011 565459245 /nfs/dbraw/zinc/45/92/45/565459245.db2.gz KPRBVZOSEAPTRU-DGCLKSJQSA-N 1 0 392.668 2.949 20 0 GFADRO CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCc1cc(Cl)ccc1I ZINC000595256020 565459354 /nfs/dbraw/zinc/45/93/54/565459354.db2.gz KPRBVZOSEAPTRU-YPMHNXCESA-N 1 0 392.668 2.949 20 0 GFADRO O=C(c1ccc(-n2cc(Br)cn2)cc1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000644128404 565460476 /nfs/dbraw/zinc/46/04/76/565460476.db2.gz RJNGOQJDTPXRBL-GOSISDBHSA-N 1 0 389.297 2.851 20 0 GFADRO C[NH2+]C[C@@H](C)NC(=O)N[C@H](C)CCc1ccc(I)cc1 ZINC000595263224 565460601 /nfs/dbraw/zinc/46/06/01/565460601.db2.gz QHKNALALWDKVIP-VXGBXAGGSA-N 1 0 389.281 2.519 20 0 GFADRO CCC[N@@H+]1CC[C@H](NS(=O)(=O)c2c(Cl)cc(Cl)cc2C(=O)OC)C1 ZINC000595355826 565467059 /nfs/dbraw/zinc/46/70/59/565467059.db2.gz RQCQBWIRPHRIRA-NSHDSACASA-N 1 0 395.308 2.543 20 0 GFADRO CC(C)(C)[NH2+]CCNC(=O)C(=O)Nc1ccc(OC(F)(F)F)cc1Cl ZINC000664609190 565469665 /nfs/dbraw/zinc/46/96/65/565469665.db2.gz BQNOCVHCSSUQKC-UHFFFAOYSA-N 1 0 381.782 2.681 20 0 GFADRO C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)NC1(CCO)CC[NH+](C)CC1 ZINC000622490244 565470487 /nfs/dbraw/zinc/47/04/87/565470487.db2.gz NUAQWZUWUPOXSW-LBPRGKRZSA-N 1 0 375.296 2.724 20 0 GFADRO C[NH+](C)CCC[C@@H]1CN(c2ncnc3ccc(Br)cc32)CCO1 ZINC000664653962 565471772 /nfs/dbraw/zinc/47/17/72/565471772.db2.gz QDRWDQAPBPDUPB-CQSZACIVSA-N 1 0 379.302 2.939 20 0 GFADRO [NH3+][C@@H]1CC[C@@H](C(F)(F)F)N(C(=O)COc2cccc(Br)c2)C1 ZINC000622761411 565473952 /nfs/dbraw/zinc/47/39/52/565473952.db2.gz GYRALZKAAPHCCC-PWSUYJOCSA-N 1 0 381.192 2.709 20 0 GFADRO Cc1ncc2c(n1)CC[C@@H]([NH2+]C[C@@H](O)COc1ccc(Cl)c(Cl)c1)C2 ZINC000644518260 565479207 /nfs/dbraw/zinc/47/92/07/565479207.db2.gz QWAKGPZVQRWECC-ZIAGYGMSSA-N 1 0 382.291 2.979 20 0 GFADRO O[C@H](C[NH2+]CCOc1ccc(Br)cc1)COCc1ccccc1 ZINC000644530851 565479838 /nfs/dbraw/zinc/47/98/38/565479838.db2.gz QJWXHAJPDMYIFL-QGZVFWFLSA-N 1 0 380.282 2.995 20 0 GFADRO COC[C@H](C[N@@H+]1CC[C@@H](Cc2cccc(I)c2)C1)OC ZINC000595506749 565480225 /nfs/dbraw/zinc/48/02/25/565480225.db2.gz LGHPNCLCYZDYRP-HOCLYGCPSA-N 1 0 389.277 2.817 20 0 GFADRO O=c1[nH]c2c(cc1C[NH2+]C[C@@H](O)COc1cccc(Br)c1)CCC2 ZINC000644564211 565481878 /nfs/dbraw/zinc/48/18/78/565481878.db2.gz FCQCXBPILLKGGK-OAHLLOKOSA-N 1 0 393.281 2.568 20 0 GFADRO C[C@@H](Cc1ccc(F)c(Br)c1)[NH2+]C[C@@H](O)COC1CCOCC1 ZINC000644599785 565483712 /nfs/dbraw/zinc/48/37/12/565483712.db2.gz UDZQLDTWEPTLFM-GXTWGEPZSA-N 1 0 390.293 2.665 20 0 GFADRO CCCC[N@H+](C)C[C@@H](C)NC(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000644601025 565484271 /nfs/dbraw/zinc/48/42/71/565484271.db2.gz PSMHASBQJFEPFK-CQSZACIVSA-N 1 0 386.945 2.883 20 0 GFADRO C[C@H]([NH2+]CCS(=O)(=O)c1cccc(Br)c1)[C@H]1CCCCO1 ZINC000644616531 565485427 /nfs/dbraw/zinc/48/54/27/565485427.db2.gz LXONNIFOJLSYPB-SWLSCSKDSA-N 1 0 376.316 2.770 20 0 GFADRO CSC1(CNC(=O)N2C[C@H](C)O[C@@H](CC(F)(F)F)C2)CC[NH+](C)CC1 ZINC000595636715 565485888 /nfs/dbraw/zinc/48/58/88/565485888.db2.gz SPLHWUSHNLNAEC-STQMWFEESA-N 1 0 383.480 2.565 20 0 GFADRO COC[C@H](C)OC[C@H](O)C[NH2+][C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1 ZINC000644631211 565486711 /nfs/dbraw/zinc/48/67/11/565486711.db2.gz MBHGZQGCUVWSKS-NUEKZKHPSA-N 1 0 391.339 2.964 20 0 GFADRO Cc1sc(C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)cc1Br ZINC000644635825 565486723 /nfs/dbraw/zinc/48/67/23/565486723.db2.gz CQQTWAWNSLXBJD-GFCCVEGCSA-N 1 0 386.359 2.717 20 0 GFADRO COc1cccc2c1C[C@H]([NH2+]C[C@H](O)COc1ccc(Br)cc1)C2 ZINC000644668776 565489148 /nfs/dbraw/zinc/48/91/48/565489148.db2.gz JLEWVEAUDGEIDG-CVEARBPZSA-N 1 0 392.293 2.954 20 0 GFADRO C[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1C)c1ccc(Br)cc1OCCCO ZINC000644708836 565490638 /nfs/dbraw/zinc/49/06/38/565490638.db2.gz LHTAGBSXFWWDHL-CZUORRHYSA-N 1 0 399.329 2.872 20 0 GFADRO C[NH+](C)C[C@H]1CN(C(=O)c2cc(Br)c[nH]c2=O)c2ccccc2O1 ZINC000623020540 565490794 /nfs/dbraw/zinc/49/07/94/565490794.db2.gz NCACLKJFUHEIKM-LBPRGKRZSA-N 1 0 392.253 2.519 20 0 GFADRO C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1cc3c(cc1Br)OCO3)C2 ZINC000623029723 565491735 /nfs/dbraw/zinc/49/17/35/565491735.db2.gz ULUKRHKUFFLECW-KRWDZBQOSA-N 1 0 381.270 2.736 20 0 GFADRO O=C(NCCCc1cccc(Br)c1)NCCNc1cc[nH+]cc1 ZINC000595825667 565492592 /nfs/dbraw/zinc/49/25/92/565492592.db2.gz WYHPSYQSKSIEAI-UHFFFAOYSA-N 1 0 377.286 2.610 20 0 GFADRO COC(=O)[C@H]1C[C@@H]([N@H+](C)CCC(=O)Nc2ccc(Br)cc2F)C1 ZINC000595848712 565493647 /nfs/dbraw/zinc/49/36/47/565493647.db2.gz OMINDGKKKMXZSO-KLPPZKSPSA-N 1 0 387.249 2.800 20 0 GFADRO C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC(=O)N(c4cc(Cl)cc(Cl)c4)C3)[C@@H]2C1 ZINC000644818623 565496936 /nfs/dbraw/zinc/49/69/36/565496936.db2.gz MXHGZWQGECXJIP-MQIPJXDCSA-N 1 0 382.291 2.509 20 0 GFADRO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)c2ccc(Br)cc2Br)C1 ZINC000644813400 565497025 /nfs/dbraw/zinc/49/70/25/565497025.db2.gz GYSFCGRPZOGKNV-ZANVPECISA-N 1 0 388.103 2.988 20 0 GFADRO C[N@H+]1C[C@H]2[C@@H](CCN2Cc2cc(Br)cc(Br)c2N)C1 ZINC000644842354 565497180 /nfs/dbraw/zinc/49/71/80/565497180.db2.gz XQGORAKDVXOWIX-ZANVPECISA-N 1 0 389.135 2.930 20 0 GFADRO CO[C@@]1(C(F)(F)F)CCCN(C(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)C1 ZINC000665444032 565500870 /nfs/dbraw/zinc/50/08/70/565500870.db2.gz HIFVWXZQMLVOAA-ZBFHGGJFSA-N 1 0 380.476 2.774 20 0 GFADRO O=C(NCCC[NH+]1CCCC1)[C@@H]1CCO[C@H]1c1cncc(Br)c1 ZINC000665488133 565501649 /nfs/dbraw/zinc/50/16/49/565501649.db2.gz DCWCZDNSOFKXES-CVEARBPZSA-N 1 0 382.302 2.524 20 0 GFADRO C[NH2+][C@H](CC(C)(C)C)C(=O)N[C@@H](C(=O)OC)c1ccccc1Br ZINC000595969039 565501961 /nfs/dbraw/zinc/50/19/61/565501961.db2.gz BHAIFEYJLGXVCK-ZIAGYGMSSA-N 1 0 385.302 2.804 20 0 GFADRO C[NH2+]C[C@H](C)NC(=O)C[C@@H](C)CCc1ccc(I)cc1 ZINC000595985138 565503842 /nfs/dbraw/zinc/50/38/42/565503842.db2.gz YFVNNVUXCAGKPG-STQMWFEESA-N 1 0 388.293 2.974 20 0 GFADRO O=C(NCCC[NH2+]Cc1ncc(Br)cc1F)c1cccc(O)c1 ZINC000623394918 565508213 /nfs/dbraw/zinc/50/82/13/565508213.db2.gz XSXKGAJILCNARY-UHFFFAOYSA-N 1 0 382.233 2.599 20 0 GFADRO CC[C@@H](CCO)[NH2+]Cc1cc(Cl)cc(Cl)c1OCCN1CCOCC1 ZINC000623428406 565509134 /nfs/dbraw/zinc/50/91/34/565509134.db2.gz JNBNSQPOAVOWOK-INIZCTEOSA-N 1 0 391.339 2.955 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)NC[C@H](n1cccn1)C(F)(F)F)c1ccsc1 ZINC000623409267 565509262 /nfs/dbraw/zinc/50/92/62/565509262.db2.gz WPHJQWCKEYHZAZ-OLZOCXBDSA-N 1 0 375.420 2.650 20 0 GFADRO CCOC(=O)[C@]1(C)CCC[C@H]1[NH2+][C@@H](C(N)=O)c1cccc(Br)c1 ZINC000596051077 565510627 /nfs/dbraw/zinc/51/06/27/565510627.db2.gz LLVVQZOFQOTPFU-CKEIUWERSA-N 1 0 383.286 2.687 20 0 GFADRO CC(C)OCC[C@H](O)C[NH2+]CCc1ccc(I)cc1 ZINC000596065011 565512318 /nfs/dbraw/zinc/51/23/18/565512318.db2.gz NBLXCCIMGRCROM-HNNXBMFYSA-N 1 0 377.266 2.599 20 0 GFADRO O=S(=O)(C[C@@H](O)C[NH2+]Cc1ccsc1C(F)(F)F)c1cccs1 ZINC000623470258 565512926 /nfs/dbraw/zinc/51/29/26/565512926.db2.gz GLYYQHKYMCGKOV-JTQLQIEISA-N 1 0 385.454 2.753 20 0 GFADRO C[C@@]1(NC(=O)Nc2cc(I)ccc2Cl)CC[NH2+]C1 ZINC000596118601 565513961 /nfs/dbraw/zinc/51/39/61/565513961.db2.gz BXQKBEPMXJCJIP-GFCCVEGCSA-N 1 0 379.629 2.818 20 0 GFADRO C[C@H]([NH2+]C[C@H](O)COC[C@H]1CCCO1)c1ccc(F)c(Br)c1 ZINC000645194060 565516032 /nfs/dbraw/zinc/51/60/32/565516032.db2.gz GBKMKNJGLICPEA-FPMFFAJLSA-N 1 0 376.266 2.795 20 0 GFADRO Cc1cc(C[NH2+]C[C@H]2CS(=O)(=O)c3ccccc32)ncc1Br ZINC000623534985 565516376 /nfs/dbraw/zinc/51/63/76/565516376.db2.gz IAIMQEODCOUXBN-LBPRGKRZSA-N 1 0 381.295 2.813 20 0 GFADRO C[C@H]1[C@H]([NH+](C)C)CCN1c1ncnc2cc(I)sc21 ZINC000596243148 565516984 /nfs/dbraw/zinc/51/69/84/565516984.db2.gz AZBAFRZOBXCVBF-WCBMZHEXSA-N 1 0 388.278 2.825 20 0 GFADRO Cc1cc(C[NH2+]CCCN2C(=O)c3ccccc3C2=O)ncc1Br ZINC000623523114 565517028 /nfs/dbraw/zinc/51/70/28/565517028.db2.gz KGIAWXIRDVYMHG-UHFFFAOYSA-N 1 0 388.265 2.928 20 0 GFADRO CN(CCC[NH+](C)C)CCNC(=O)Nc1cc(Br)ccc1F ZINC000666046957 565520847 /nfs/dbraw/zinc/52/08/47/565520847.db2.gz HVROSAITDORZLN-UHFFFAOYSA-N 1 0 375.286 2.593 20 0 GFADRO NC(=O)c1cccc(C[NH2+][C@]2(CO)CCc3cc(Br)ccc3C2)c1 ZINC000623643860 565521634 /nfs/dbraw/zinc/52/16/34/565521634.db2.gz FCTZLMZSWFOBRB-LJQANCHMSA-N 1 0 389.293 2.558 20 0 GFADRO Cc1nn(-c2ccccc2Br)cc1C[NH2+]C[C@H](O)[C@@H]1CCCO1 ZINC000623620255 565521953 /nfs/dbraw/zinc/52/19/53/565521953.db2.gz LCLFFLIROUHDMK-IRXDYDNUSA-N 1 0 380.286 2.573 20 0 GFADRO COc1nc(C)cc(C)c1C[NH2+][C@H](C)Cn1cc(Br)ccc1=O ZINC000666087322 565522695 /nfs/dbraw/zinc/52/26/95/565522695.db2.gz DNLJIVXCJXHHSD-CYBMUJFWSA-N 1 0 380.286 2.810 20 0 GFADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@@H](CO)[C@H](C)c1ccccc1 ZINC000666100309 565522981 /nfs/dbraw/zinc/52/29/81/565522981.db2.gz DEEYTEKCJLORAA-CPUCHLNUSA-N 1 0 379.298 2.754 20 0 GFADRO CC(C)n1cc(C[NH2+][C@]2(CO)CCc3cc(Br)ccc3C2)nn1 ZINC000623645167 565523541 /nfs/dbraw/zinc/52/35/41/565523541.db2.gz QFQMMXDJXGZZIF-QGZVFWFLSA-N 1 0 379.302 2.631 20 0 GFADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@H](C)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000666090279 565523644 /nfs/dbraw/zinc/52/36/44/565523644.db2.gz UQAKTEYIWCSVJY-GHMZBOCLSA-N 1 0 391.269 2.932 20 0 GFADRO O=C(Nc1ccc(Br)c(F)c1)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000666193168 565526894 /nfs/dbraw/zinc/52/68/94/565526894.db2.gz FZPSHARDFCPBEZ-ZDUSSCGKSA-N 1 0 386.265 2.651 20 0 GFADRO Fc1cc(C[NH2+]C[C@H]2CN(Cc3ccncc3)CCO2)ccc1Br ZINC000623781114 565530440 /nfs/dbraw/zinc/53/04/40/565530440.db2.gz HNGDSIYKRLEFJJ-INIZCTEOSA-N 1 0 394.288 2.974 20 0 GFADRO C[C@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+]CCCN(C)S(C)(=O)=O ZINC000623861896 565533146 /nfs/dbraw/zinc/53/31/46/565533146.db2.gz GAFKWCDMZSPTQR-SNVBAGLBSA-N 1 0 387.855 2.556 20 0 GFADRO CCN(C(=O)Nc1ccc(F)cc1I)[C@@H]1CC[N@H+](C)C1 ZINC000596783258 565534904 /nfs/dbraw/zinc/53/49/04/565534904.db2.gz DHWJBSOEOBFNNR-LLVKDONJSA-N 1 0 391.228 2.988 20 0 GFADRO CN(C)S(=O)(=O)n1ccnc1C[NH2+][C@H]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000666419037 565536758 /nfs/dbraw/zinc/53/67/58/565536758.db2.gz XYMURXYXPDCSDN-HOCLYGCPSA-N 1 0 382.917 2.617 20 0 GFADRO CCC[N@@H+]1CC[C@H](NC(=O)Nc2ccc(Br)c(C(=O)OC)c2)C1 ZINC000596821597 565537092 /nfs/dbraw/zinc/53/70/92/565537092.db2.gz VUPNWXYHAOMRGB-LBPRGKRZSA-N 1 0 384.274 2.842 20 0 GFADRO C[C@@H](Nc1cnn(-c2ccccn2)c(=O)c1Br)C1CC[NH+](C)CC1 ZINC000623969680 565537427 /nfs/dbraw/zinc/53/74/27/565537427.db2.gz PWGDWZRKVMSKIW-GFCCVEGCSA-N 1 0 392.301 2.532 20 0 GFADRO Cc1cccc2cc(S(=O)(=O)NCCCC[N@@H+]3CCC[C@@H]3CO)sc21 ZINC000645558117 565538064 /nfs/dbraw/zinc/53/80/64/565538064.db2.gz NSFVBCIYDIPXBM-MRXNPFEDSA-N 1 0 382.551 2.725 20 0 GFADRO CC(C)CC[C@@H](CO)[NH2+][C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000624111131 565542713 /nfs/dbraw/zinc/54/27/13/565542713.db2.gz OCPDMBFPGGKPNT-AAEUAGOBSA-N 1 0 393.347 2.544 20 0 GFADRO C[NH+]1CCC(NC(=O)Nc2ccc(I)cc2F)CC1 ZINC000597018161 565546461 /nfs/dbraw/zinc/54/64/61/565546461.db2.gz NSVLTDYPNZDHAI-UHFFFAOYSA-N 1 0 377.201 2.646 20 0 GFADRO O[C@H](CNc1ncc(Br)cc1F)C[N@@H+]1CCc2ccccc2C1 ZINC000624246883 565548593 /nfs/dbraw/zinc/54/85/93/565548593.db2.gz FLFZAGSJDRFONI-OAHLLOKOSA-N 1 0 380.261 2.814 20 0 GFADRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)Nc1cn(C)cc(Br)c1=O ZINC000666690906 565549076 /nfs/dbraw/zinc/54/90/76/565549076.db2.gz PQBJZIRSUBLQAH-VXGBXAGGSA-N 1 0 385.306 2.532 20 0 GFADRO O[C@H](C[NH2+][C@H]1CCC[C@@H]2C[C@@H]21)COc1ccc(I)cc1 ZINC000597054420 565550298 /nfs/dbraw/zinc/55/02/98/565550298.db2.gz UIRZZKBJRVLLQR-OYNZBZHQSA-N 1 0 387.261 2.809 20 0 GFADRO O[C@H]1CCN(CC[NH2+][C@@H](c2cccc(Br)c2)C2CCOCC2)C1 ZINC000624338074 565550897 /nfs/dbraw/zinc/55/08/97/565550897.db2.gz STGVDYMWTWQTQL-ZWKOTPCHSA-N 1 0 383.330 2.573 20 0 GFADRO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CCN(C)CC(F)F ZINC000624322144 565551380 /nfs/dbraw/zinc/55/13/80/565551380.db2.gz GAMUISJYMHFTNE-LLVKDONJSA-N 1 0 378.261 2.953 20 0 GFADRO Cc1cc(Br)c(F)cc1S(=O)(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000624362000 565552418 /nfs/dbraw/zinc/55/24/18/565552418.db2.gz DJJTVFVAKXWKIW-MJVIPROJSA-N 1 0 391.306 2.645 20 0 GFADRO CC[C@@H]1CN(S(=O)(=O)c2cc(F)c(Br)cc2C)CC[C@@H]1[NH3+] ZINC000624362257 565553256 /nfs/dbraw/zinc/55/32/56/565553256.db2.gz MALHGGWSZXEABP-MFKMUULPSA-N 1 0 379.295 2.645 20 0 GFADRO CC[C@H](C)[NH2+][C@H](CNS(=O)(=O)c1cnc(OC)c(Cl)c1)c1ccco1 ZINC000645709763 565553979 /nfs/dbraw/zinc/55/39/79/565553979.db2.gz SMILPRNIMJFUQP-SMDDNHRTSA-N 1 0 387.889 2.744 20 0 GFADRO [NH3+]C[C@H]1CN(S(=O)(=O)c2ccccc2C(F)(F)F)CC[C@H]1C(F)(F)F ZINC000624389592 565554633 /nfs/dbraw/zinc/55/46/33/565554633.db2.gz DWJJPGIFSHRDLW-VHSXEESVSA-N 1 0 390.349 2.853 20 0 GFADRO CCOc1ccc(S(=O)(=O)N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1C ZINC000624391348 565554824 /nfs/dbraw/zinc/55/48/24/565554824.db2.gz VVHFTZYWTRQVKP-OCCSQVGLSA-N 1 0 380.432 2.542 20 0 GFADRO [NH3+]C[C@H]1CN(S(=O)(=O)Cc2ccc(F)c(Cl)c2)CC[C@H]1C(F)(F)F ZINC000624390990 565554860 /nfs/dbraw/zinc/55/48/60/565554860.db2.gz NTKRMBLGOMNHCQ-WDEREUQCSA-N 1 0 388.814 2.768 20 0 GFADRO CN(CCOCC[NH3+])S(=O)(=O)c1ccc(Oc2ccc(Cl)cc2)cc1 ZINC000624409161 565555668 /nfs/dbraw/zinc/55/56/68/565555668.db2.gz USLUUSVAJNRVRN-UHFFFAOYSA-N 1 0 384.885 2.728 20 0 GFADRO Cc1nccc(NC(=O)NC[C@@H]2CCC[N@H+](CC3CC3)C2)c1Br ZINC000666836987 565558691 /nfs/dbraw/zinc/55/86/91/565558691.db2.gz IDRGIQOCXPSEDO-AWEZNQCLSA-N 1 0 381.318 2.818 20 0 GFADRO Cc1nccc(NC(=O)NC[C@@H]2CC[N@@H+]2Cc2ccccc2)c1Br ZINC000666837117 565559033 /nfs/dbraw/zinc/55/90/33/565559033.db2.gz LFJHKVWITVIWAN-HNNXBMFYSA-N 1 0 389.297 2.970 20 0 GFADRO CS[C@@H]1CN(C(=O)Cc2ccc(Br)cc2F)C[C@@H]1[NH+](C)C ZINC000597445304 565561519 /nfs/dbraw/zinc/56/15/19/565561519.db2.gz GVDYWMGJTLHGEL-UONOGXRCSA-N 1 0 375.307 2.635 20 0 GFADRO CC(C)C[C@@H]([NH3+])C(=O)N1CCC(C(=O)Nc2cccc(Br)c2)CC1 ZINC000645841822 565567531 /nfs/dbraw/zinc/56/75/31/565567531.db2.gz OYZBXJOGYMKOMU-MRXNPFEDSA-N 1 0 396.329 3.000 20 0 GFADRO COC(=O)c1cc(Br)cc(C(=O)N2CCC[C@]3(CC[N@H+](C)C3)C2)c1 ZINC000597710855 565571817 /nfs/dbraw/zinc/57/18/17/565571817.db2.gz PKDDHLAZEYRDLA-GOSISDBHSA-N 1 0 395.297 2.794 20 0 GFADRO Cc1[nH+]c2ccc(Br)cc2c(N2CCO[C@@H](CC(N)=O)C2)c1C ZINC000624700230 565572192 /nfs/dbraw/zinc/57/21/92/565572192.db2.gz XRDNMRMUKXQPKO-ZDUSSCGKSA-N 1 0 378.270 2.695 20 0 GFADRO CN(C(=O)Nc1ccc(Br)cc1-c1nc(C2CC2)no1)C1C[NH2+]C1 ZINC000667162024 565573755 /nfs/dbraw/zinc/57/37/55/565573755.db2.gz NLEBDOIISZUCNL-UHFFFAOYSA-N 1 0 392.257 2.812 20 0 GFADRO CC(C)Oc1cc(Br)cc(NC(=O)N2CCO[C@H]([C@@H](C)[NH3+])C2)c1 ZINC000667173191 565574731 /nfs/dbraw/zinc/57/47/31/565574731.db2.gz ZFRNMVGFGAIPQP-ABAIWWIYSA-N 1 0 386.290 2.816 20 0 GFADRO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)Nc1nc2cc(Br)ccn2n1 ZINC000667192440 565575883 /nfs/dbraw/zinc/57/58/83/565575883.db2.gz USRLWYMBDBIQNL-GFCCVEGCSA-N 1 0 395.305 2.734 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)Cc1ccc(I)cc1 ZINC000597860067 565578065 /nfs/dbraw/zinc/57/80/65/565578065.db2.gz KZCOSOPERQIAFU-AWEZNQCLSA-N 1 0 386.277 2.823 20 0 GFADRO O=C(N[C@H]1CCN(c2ccccc2Br)C1)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000645969089 565578931 /nfs/dbraw/zinc/57/89/31/565578931.db2.gz NMSVHVIBGPMBDF-HRCADAONSA-N 1 0 392.341 2.780 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)c(NC(=O)NC/C=C\C[NH3+])c1C ZINC000667287857 565580364 /nfs/dbraw/zinc/58/03/64/565580364.db2.gz FJOJGHDBLXVJJU-ARJAWSKDSA-N 1 0 378.274 2.888 20 0 GFADRO C[NH+](C)C[C@]1(O)CCCN(C(=O)c2cc(F)c(Br)cc2Cl)C1 ZINC000646022244 565583019 /nfs/dbraw/zinc/58/30/19/565583019.db2.gz MSECRGPTXPQTTN-OAHLLOKOSA-N 1 0 393.684 2.770 20 0 GFADRO O=C(NCC1C[NH2+]C1)Nc1nc(Cc2ccccc2Br)cs1 ZINC000667365213 565583385 /nfs/dbraw/zinc/58/33/85/565583385.db2.gz ZJBZHIDJVDLXHF-UHFFFAOYSA-N 1 0 381.299 2.837 20 0 GFADRO CCC(F)(F)C(C)(C)CS(=O)(=O)NCC(C)(C)[NH+]1CCC(OC)CC1 ZINC000624962636 565586344 /nfs/dbraw/zinc/58/63/44/565586344.db2.gz ZSARFRODENVMDD-UHFFFAOYSA-N 1 0 384.533 2.867 20 0 GFADRO C[C@@H]1CN(C(=O)[C@@](C)([NH3+])c2ccc(Br)cc2)C[C@@H](C(F)(F)F)O1 ZINC000646135910 565588048 /nfs/dbraw/zinc/58/80/48/565588048.db2.gz DAFUPYFEMWHDJN-LQJRIPTKSA-N 1 0 395.219 2.801 20 0 GFADRO CCn1c(CNC(=O)N[C@H](C)C[C@H](C)[NH3+])nc2cc(Br)ccc21 ZINC000646192505 565590658 /nfs/dbraw/zinc/59/06/58/565590658.db2.gz GYBMXKXFFCFCII-WDEREUQCSA-N 1 0 382.306 2.744 20 0 GFADRO COc1c(Cl)cc(NC(=O)N2CN(CC[NH+](C)C)C(=O)[C@@H]2C)cc1Cl ZINC000646253591 565593350 /nfs/dbraw/zinc/59/33/50/565593350.db2.gz ZANWGSISNPJYKA-JTQLQIEISA-N 1 0 389.283 2.586 20 0 GFADRO O=C(NCC[NH2+]C1CC1)Nc1ccc(-c2ccc(Br)s2)nn1 ZINC000667529454 565593736 /nfs/dbraw/zinc/59/37/36/565593736.db2.gz PPCBJPLZHDEIFK-UHFFFAOYSA-N 1 0 382.287 2.841 20 0 GFADRO CC[C@H]1CN(C(=O)C(=O)Nc2ccc(Br)c(Cl)c2)CC[C@@H]1[NH3+] ZINC000667546033 565593773 /nfs/dbraw/zinc/59/37/73/565593773.db2.gz CURJCHIRFULKMD-ZANVPECISA-N 1 0 388.693 2.627 20 0 GFADRO O=C(Nc1cc(Cl)ccc1C(F)(F)F)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000667536886 565593781 /nfs/dbraw/zinc/59/37/81/565593781.db2.gz LUJZTDPZJQFFNO-TVQRCGJNSA-N 1 0 375.778 2.508 20 0 GFADRO CC[C@H]1CN(C(=O)C(=O)Nc2ccc(Cl)c(Br)c2)CC[C@@H]1[NH3+] ZINC000667549912 565594634 /nfs/dbraw/zinc/59/46/34/565594634.db2.gz AYLXQYXXFFGGSK-ZANVPECISA-N 1 0 388.693 2.627 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ccccc2SCC(F)(F)F)CC[NH2+]1 ZINC000667556477 565594836 /nfs/dbraw/zinc/59/48/36/565594836.db2.gz GNCFFJIFYSEJEI-MNOVXSKESA-N 1 0 375.416 2.536 20 0 GFADRO C[C@H]1COCC[N@@H+]1C1CCN(C(=O)COc2ccccc2Br)CC1 ZINC000646321626 565596505 /nfs/dbraw/zinc/59/65/05/565596505.db2.gz NOPOZQICPXSLDU-AWEZNQCLSA-N 1 0 397.313 2.540 20 0 GFADRO C[C@H]1COCC[N@@H+]1C1CCN(C(=O)c2cc(F)cc(Br)c2)CC1 ZINC000646318736 565596645 /nfs/dbraw/zinc/59/66/45/565596645.db2.gz AEWOXMDOMWZWDF-LBPRGKRZSA-N 1 0 385.277 2.914 20 0 GFADRO C[N@@H+]1CCC[C@H]1[C@@H]1COCCN1C(=O)CCc1ccccc1Br ZINC000646445560 565603738 /nfs/dbraw/zinc/60/37/38/565603738.db2.gz TUJPEBWGFWRFDL-IRXDYDNUSA-N 1 0 381.314 2.703 20 0 GFADRO [NH3+]Cc1cccc(NC(=O)N(CCO)Cc2ccc(Br)s2)c1 ZINC000667735346 565604287 /nfs/dbraw/zinc/60/42/87/565604287.db2.gz QVVLQPYWVGELRR-UHFFFAOYSA-N 1 0 384.299 2.996 20 0 GFADRO COCCOC1CC[NH+]([C@H]2CCc3cc(Br)ccc3NC2=O)CC1 ZINC000625176010 565604541 /nfs/dbraw/zinc/60/45/41/565604541.db2.gz VKUAWAAVVHJLOR-KRWDZBQOSA-N 1 0 397.313 2.830 20 0 GFADRO COCCOC1CC[NH+]([C@@H]2CCc3cc(Br)ccc3NC2=O)CC1 ZINC000625176011 565604574 /nfs/dbraw/zinc/60/45/74/565604574.db2.gz VKUAWAAVVHJLOR-QGZVFWFLSA-N 1 0 397.313 2.830 20 0 GFADRO Cc1c(C(=O)N2CC[C@@H]([NH+](C)C)[C@@H]2C)nnn1-c1cccc(Br)c1 ZINC000646476958 565605423 /nfs/dbraw/zinc/60/54/23/565605423.db2.gz ZEITWZMPRARESV-XHDPSFHLSA-N 1 0 392.301 2.503 20 0 GFADRO [NH3+]Cc1cccc(NC(=O)c2sccc2S(=O)(=O)N2CCCCC2)c1 ZINC000646580717 565608967 /nfs/dbraw/zinc/60/89/67/565608967.db2.gz KMLDODPWKHHPBO-UHFFFAOYSA-N 1 0 379.507 2.634 20 0 GFADRO C[NH+]1CCC(CC(=O)NCCc2ccc(I)cc2)CC1 ZINC000598392019 565613022 /nfs/dbraw/zinc/61/30/22/565613022.db2.gz BPUUTYFGUCYPEK-UHFFFAOYSA-N 1 0 386.277 2.682 20 0 GFADRO C[C@@H](C[NH+]1CCCCC1)NC(=O)c1cc(Br)cc2[nH]c(=O)[nH]c21 ZINC000646664187 565613109 /nfs/dbraw/zinc/61/31/09/565613109.db2.gz CSWZMNHGCNOUDX-JTQLQIEISA-N 1 0 381.274 2.635 20 0 GFADRO [NH3+]C1CCC(NC(=O)c2ncc(Br)cc2Br)CC1 ZINC000646664757 565613149 /nfs/dbraw/zinc/61/31/49/565613149.db2.gz AHJHPYDVTMIUOD-UHFFFAOYSA-N 1 0 377.080 2.606 20 0 GFADRO C[C@@H](CNC(=O)c1cc(Br)cc2[nH]c(=O)[nH]c21)[N@@H+]1CCC[C@@H](C)C1 ZINC000646678194 565613350 /nfs/dbraw/zinc/61/33/50/565613350.db2.gz YKWOJNNDHRDBHX-MNOVXSKESA-N 1 0 395.301 2.881 20 0 GFADRO O=C(NCCCC[N@H+]1CCC[C@@H]1CO)Nc1cccc(Br)c1F ZINC000667923900 565615162 /nfs/dbraw/zinc/61/51/62/565615162.db2.gz YRMJVTMYCQHRJX-GFCCVEGCSA-N 1 0 388.281 2.947 20 0 GFADRO CN1CCCC[C@H]1C(=O)Nc1nc2cc(I)ccc2[nH]1 ZINC000598426198 565616205 /nfs/dbraw/zinc/61/62/05/565616205.db2.gz YNRRZDQEKKDXKJ-LBPRGKRZSA-N 1 0 384.221 2.590 20 0 GFADRO C[C@H]([NH3+])[C@H]1CN(C(=O)c2ccc(Br)c(OC(F)(F)F)c2)CCO1 ZINC000646855075 565622890 /nfs/dbraw/zinc/62/28/90/565622890.db2.gz ZMXIRVHEMRIDAR-QPUJVOFHSA-N 1 0 397.191 2.536 20 0 GFADRO C[C@H](Cc1ccc(Cl)c(C(F)(F)F)c1)[NH2+]C1CC(NS(C)(=O)=O)C1 ZINC000668110161 565628099 /nfs/dbraw/zinc/62/80/99/565628099.db2.gz YSCNMGCFSLLOTI-OIKLOGQESA-N 1 0 384.851 2.960 20 0 GFADRO COC(=O)CC1([NH2+]CCCCc2cccc(Cl)c2)CCS(=O)(=O)CC1 ZINC000598607362 565628508 /nfs/dbraw/zinc/62/85/08/565628508.db2.gz LPVBNWSPEMMEPI-UHFFFAOYSA-N 1 0 387.929 2.763 20 0 GFADRO C[NH+](C)CCN(Cc1nnn(C(C)(C)C)n1)Cc1ccc(Br)cc1 ZINC000668158819 565630131 /nfs/dbraw/zinc/63/01/31/565630131.db2.gz AVBJQXWHDKDTMT-UHFFFAOYSA-N 1 0 395.349 2.754 20 0 GFADRO Cc1ccc(S(=O)(=O)NC[C@H]2CCCC[N@@H+](C)C2)c(Br)c1 ZINC000625420770 565630151 /nfs/dbraw/zinc/63/01/51/565630151.db2.gz SAOBOTBVGUOPSG-CYBMUJFWSA-N 1 0 375.332 2.768 20 0 GFADRO O=C(N[C@H]1CCC[NH2+]CC1)[C@@H](c1ccc(Br)cc1)N1CCCC1 ZINC000646985660 565631211 /nfs/dbraw/zinc/63/12/11/565631211.db2.gz FQDLGZPQHZTMHF-DLBZAZTESA-N 1 0 380.330 2.844 20 0 GFADRO [NH3+][C@@H]1CCC[C@H](NC(=O)[C@H](c2ccc(Br)cc2)N2CCCC2)C1 ZINC000646996896 565631319 /nfs/dbraw/zinc/63/13/19/565631319.db2.gz CBTOFIULNNHHSZ-IKGGRYGDSA-N 1 0 380.330 2.972 20 0 GFADRO O=C(CC[NH+]1CCN(Cc2cn[nH]c2)CC1)Nc1cc(Cl)ccc1Cl ZINC000625476611 565632288 /nfs/dbraw/zinc/63/22/88/565632288.db2.gz NNZDOBNHNBWGIE-UHFFFAOYSA-N 1 0 382.295 2.863 20 0 GFADRO [NH3+][C@]12CCC[C@H]1CN(C(=O)c1cc(Cl)ccc1I)C2 ZINC000598669618 565634021 /nfs/dbraw/zinc/63/40/21/565634021.db2.gz KBUHHAGVUWFIQB-XPTSAGLGSA-N 1 0 390.652 2.898 20 0 GFADRO O=C1Nc2ccc(Br)cc2CC[C@H]1N1CCO[C@@]2(CCSC2)C1 ZINC000625506697 565635389 /nfs/dbraw/zinc/63/53/89/565635389.db2.gz OGYQTHAXBJDUQY-WBVHZDCISA-N 1 0 397.338 2.910 20 0 GFADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1c(Cl)cccc1Br ZINC000668262229 565635845 /nfs/dbraw/zinc/63/58/45/565635845.db2.gz KJLCEGNACQMHNS-LLVKDONJSA-N 1 0 375.694 2.943 20 0 GFADRO C[C@H](C(=O)Nc1ccccc1Br)N1CCC([NH+]2CCOCC2)CC1 ZINC000625554487 565639367 /nfs/dbraw/zinc/63/93/67/565639367.db2.gz ZMJNCXMCHLREKW-CQSZACIVSA-N 1 0 396.329 2.573 20 0 GFADRO C[S@](=O)[C@@H]1CCC[C@H](NC(=O)[C@@H]2C[N@@H+](C(C)(C)C)C[C@H]2C(F)(F)F)C1 ZINC000598751863 565639342 /nfs/dbraw/zinc/63/93/42/565639342.db2.gz HUVHAJIKRUIRRE-RXEWCHQCSA-N 1 0 382.492 2.701 20 0 GFADRO CC(C)C[C@H]([NH3+])c1noc(Cn2cnc3ccc(Br)cc3c2=O)n1 ZINC000647131562 565640665 /nfs/dbraw/zinc/64/06/65/565640665.db2.gz GRYJPQCRONZHIS-LBPRGKRZSA-N 1 0 392.257 2.636 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)C(=O)NCCc1ccc(Cl)cc1Cl ZINC000668342287 565641057 /nfs/dbraw/zinc/64/10/57/565641057.db2.gz HRSRBUDVTWOWGG-CQSZACIVSA-N 1 0 386.323 2.641 20 0 GFADRO Cc1cc(Br)cc(C(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c1C ZINC000668377692 565644335 /nfs/dbraw/zinc/64/43/35/565644335.db2.gz DNTMOAZBVBPHNT-IAGOWNOFSA-N 1 0 381.314 2.737 20 0 GFADRO COc1cc(C(F)(F)F)cc(S(=O)(=O)N(C2CC2)C2CC[NH2+]CC2)c1 ZINC000647190543 565644424 /nfs/dbraw/zinc/64/44/24/565644424.db2.gz DZSCXVFKRRHFGQ-UHFFFAOYSA-N 1 0 378.416 2.619 20 0 GFADRO COCC[N@@H+]1CCC[C@@H](NC(=O)c2c(Cl)cccc2Br)C1 ZINC000668373569 565645150 /nfs/dbraw/zinc/64/51/50/565645150.db2.gz DVEZHZVREWZXFU-LLVKDONJSA-N 1 0 375.694 2.943 20 0 GFADRO COc1cc(Br)c(C[N@@H+]2CC[C@@H](Cn3ccnn3)C2)c(OC)c1 ZINC000668453543 565647035 /nfs/dbraw/zinc/64/70/35/565647035.db2.gz WPNVBHVFSKHUIO-GFCCVEGCSA-N 1 0 381.274 2.580 20 0 GFADRO O=S(=O)(c1csc(-c2ccccc2)n1)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647237580 565648037 /nfs/dbraw/zinc/64/80/37/565648037.db2.gz HDHYANLBSVIWRA-CVEARBPZSA-N 1 0 377.535 2.963 20 0 GFADRO CO[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+][C@@H](C)Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC000668506920 565651196 /nfs/dbraw/zinc/65/11/96/565651196.db2.gz LKPCXEMCJVCZBP-QCZZGDTMSA-N 1 0 385.835 2.691 20 0 GFADRO CC[C@@H]1CN(S(=O)(=O)c2cc(Br)ccc2Cl)CC[C@H]1[NH3+] ZINC000647269084 565651483 /nfs/dbraw/zinc/65/14/83/565651483.db2.gz LURTYTBQZNRXCF-BXKDBHETSA-N 1 0 381.723 2.850 20 0 GFADRO CC[C@@H]1CN(S(=O)(=O)c2cc(Br)c(C)cc2OC)CC[C@H]1[NH3+] ZINC000647269709 565651949 /nfs/dbraw/zinc/65/19/49/565651949.db2.gz YKZDBSLUMQIYTF-DGCLKSJQSA-N 1 0 391.331 2.514 20 0 GFADRO FC(F)CN1CCC[C@H]1C[NH2+]Cc1ncc(I)s1 ZINC000598988595 565652420 /nfs/dbraw/zinc/65/24/20/565652420.db2.gz SKZQMADPVFWUON-QMMMGPOBSA-N 1 0 387.237 2.567 20 0 GFADRO Brc1cc(CN2CC[NH+]([C@H]3CCOC3)CC2)cc2c1OCCCO2 ZINC000668537359 565652594 /nfs/dbraw/zinc/65/25/94/565652594.db2.gz MZJGMVUDYFZCJV-HNNXBMFYSA-N 1 0 397.313 2.517 20 0 GFADRO C[C@@H]1C[N@@H+](Cc2ccc(Br)cc2N2CCOCC2)C[C@H](C)[C@H]1O ZINC000668554698 565653980 /nfs/dbraw/zinc/65/39/80/565653980.db2.gz RKFGFZNHMXTFRQ-UOIKSKOESA-N 1 0 383.330 2.734 20 0 GFADRO C[C@H]1CC[NH2+]C[C@H]1NS(=O)(=O)Cc1ccc(Br)cc1Cl ZINC000647284302 565654590 /nfs/dbraw/zinc/65/45/90/565654590.db2.gz KIFJLQZOPQPCFJ-TVQRCGJNSA-N 1 0 381.723 2.520 20 0 GFADRO CNS(=O)(=O)CCC[N@@H+]1CC[C@@H](Sc2ccc(Br)cc2)C1 ZINC000625699602 565655477 /nfs/dbraw/zinc/65/54/77/565655477.db2.gz DDUUYIAXAQWKGO-CQSZACIVSA-N 1 0 393.372 2.555 20 0 GFADRO C[C@@H]([NH2+]C[C@@H](C)CC(F)F)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000647317219 565656679 /nfs/dbraw/zinc/65/66/79/565656679.db2.gz HVTQILQQBRPRSO-UONOGXRCSA-N 1 0 376.469 2.649 20 0 GFADRO C[C@H]([NH2+]C[C@H](O)COC[C@H]1CCCO1)c1cc(F)c(Br)cc1F ZINC000625752347 565656847 /nfs/dbraw/zinc/65/68/47/565656847.db2.gz UUJMLYGLZPPFBB-SDDRHHMPSA-N 1 0 394.256 2.934 20 0 GFADRO Cc1cc(Br)cc(C)c1S(=O)(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000647316812 565657044 /nfs/dbraw/zinc/65/70/44/565657044.db2.gz VRWULBIMUBIWFX-TZMCWYRMSA-N 1 0 375.332 2.862 20 0 GFADRO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+][C@H](CCO)c1ccccc1F ZINC000647344917 565658060 /nfs/dbraw/zinc/65/80/60/565658060.db2.gz BJWOAZBZZIJTHG-BLLLJJGKSA-N 1 0 383.261 2.852 20 0 GFADRO CC[C@H]([NH2+]Cc1ccc(CO)cc1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000647322016 565658266 /nfs/dbraw/zinc/65/82/66/565658266.db2.gz BXMHGBQXUJVHEV-KRWDZBQOSA-N 1 0 382.913 2.981 20 0 GFADRO CC(C)N1CCC[C@H]([NH2+][C@@]2(CO)CCc3cc(Br)ccc3C2)C1=O ZINC000625795386 565659368 /nfs/dbraw/zinc/65/93/68/565659368.db2.gz TZLPHGLHPROIKH-HKUYNNGSSA-N 1 0 395.341 2.658 20 0 GFADRO Cc1cncc(CC[NH2+][C@@]2(CO)CCc3cc(Br)ccc3C2)n1 ZINC000625796362 565660674 /nfs/dbraw/zinc/66/06/74/565660674.db2.gz JYSLJYZOAHCARC-SFHVURJKSA-N 1 0 376.298 2.600 20 0 GFADRO CC[C@@H](c1ccc(Br)cc1)[NH+]1CCC(n2cc(C(N)=O)nn2)CC1 ZINC000625806219 565661674 /nfs/dbraw/zinc/66/16/74/565661674.db2.gz CULUZOCXPDMOCG-INIZCTEOSA-N 1 0 392.301 2.928 20 0 GFADRO C[NH2+]CCOCCN(C)C(=O)Nc1cc(Br)cc(OC(C)C)c1 ZINC000625866554 565663361 /nfs/dbraw/zinc/66/33/61/565663361.db2.gz XKEWTRYCYZUBAJ-UHFFFAOYSA-N 1 0 388.306 2.936 20 0 GFADRO CCN(C(=O)C(=O)N[C@@H](C)Cc1ccc(Cl)cc1Cl)[C@@H]1CC[N@H+](C)C1 ZINC000668721429 565663435 /nfs/dbraw/zinc/66/34/35/565663435.db2.gz LJIJRYWKTLHSBW-SWLSCSKDSA-N 1 0 386.323 2.593 20 0 GFADRO CCCN(C(=O)C(=O)N(C)Cc1ccc(Cl)c(Cl)c1)[C@@H]1CC[N@H+](C)C1 ZINC000647568865 565665089 /nfs/dbraw/zinc/66/50/89/565665089.db2.gz VPYWMTMUHBQGLN-CQSZACIVSA-N 1 0 386.323 2.895 20 0 GFADRO CN(C)C[C@@H]([NH2+]C[C@H](O)COC1CCOCC1)c1ccc(Cl)c(Cl)c1 ZINC000625983329 565668189 /nfs/dbraw/zinc/66/81/89/565668189.db2.gz LSWBMFJFXJHFIT-KBXCAEBGSA-N 1 0 391.339 2.742 20 0 GFADRO Cc1cc(NC(=O)CN[C@@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)n(C)n1 ZINC000625983179 565668488 /nfs/dbraw/zinc/66/84/88/565668488.db2.gz IDTSENLZCJYJEP-HNNXBMFYSA-N 1 0 384.311 2.866 20 0 GFADRO O=C(CSc1cc(Cl)ccc1Cl)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000647706224 565671790 /nfs/dbraw/zinc/67/17/90/565671790.db2.gz FTSBMYQDJNXSQD-CHWSQXEVSA-N 1 0 375.321 2.753 20 0 GFADRO C[N@@H+]1CCC[C@@H]1[C@H]1COCCN1C(=O)c1[nH]c2ccccc2c1Br ZINC000647821066 565677754 /nfs/dbraw/zinc/67/77/54/565677754.db2.gz BRICSOIUINXZKQ-HUUCEWRRSA-N 1 0 392.297 2.866 20 0 GFADRO CN(CCN1CC[NH2+]CC1)Cc1csc(-c2ccc(Br)cc2)n1 ZINC000647836019 565679229 /nfs/dbraw/zinc/67/92/29/565679229.db2.gz YUNBEBMCBSPYJO-UHFFFAOYSA-N 1 0 395.370 2.910 20 0 GFADRO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]([C@@H](C)c2cccc(Br)c2)C1 ZINC000626168199 565681725 /nfs/dbraw/zinc/68/17/25/565681725.db2.gz MQNDTEDUSOZBPS-QWHCGFSZSA-N 1 0 375.332 2.771 20 0 GFADRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)c1cc(Br)cc2[nH]c(=O)[nH]c21 ZINC000669249821 565682534 /nfs/dbraw/zinc/68/25/34/565682534.db2.gz WKXNPYLJNKOXAB-GFCCVEGCSA-N 1 0 395.301 2.977 20 0 GFADRO Cc1c(Br)ccnc1NC(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000669399149 565687436 /nfs/dbraw/zinc/68/74/36/565687436.db2.gz AXMSNOHVLSUWJN-UHFFFAOYSA-N 1 0 376.258 2.902 20 0 GFADRO O=C(NC[C@H]1CCN(c2cccc(Br)c2)C1)N[C@@H]1CCC[NH2+]CC1 ZINC000669411019 565688429 /nfs/dbraw/zinc/68/84/29/565688429.db2.gz KPPGZTDHUONHOI-GDBMZVCRSA-N 1 0 395.345 2.717 20 0 GFADRO CC[C@@H]1CN(C(=O)N[C@H]2CCN(c3ccccc3Br)C2)CC[C@@H]1[NH3+] ZINC000669476000 565690020 /nfs/dbraw/zinc/69/00/20/565690020.db2.gz GPLQOGUKWWWYCE-YCPHGPKFSA-N 1 0 395.345 2.797 20 0 GFADRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1Cc1ccnc2c(Br)cccc12 ZINC000648065964 565690276 /nfs/dbraw/zinc/69/02/76/565690276.db2.gz UJMRBFJMQHDHTN-ZDUSSCGKSA-N 1 0 391.313 2.549 20 0 GFADRO C[C@@H]1CC[C@@H](NC(=O)Nc2cc(F)c(I)c(F)c2)C[NH2+]1 ZINC000599598078 565691149 /nfs/dbraw/zinc/69/11/49/565691149.db2.gz NUIOGFYCYBGYGC-HTQZYQBOSA-N 1 0 395.191 2.831 20 0 GFADRO C[C@H](CNC(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1)Oc1cccc(Br)c1 ZINC000669505937 565691740 /nfs/dbraw/zinc/69/17/40/565691740.db2.gz WMEAFOJJUKEPAP-XJKCOSOUSA-N 1 0 382.302 2.610 20 0 GFADRO CC[C@]1(C(=O)N[C@H]2CCN(c3ccc(Br)c(C)c3)C2=O)CCC[NH2+]1 ZINC000648164013 565691909 /nfs/dbraw/zinc/69/19/09/565691909.db2.gz QNQATSDRGOMMJW-MAUKXSAKSA-N 1 0 394.313 2.511 20 0 GFADRO C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)c1cc(=O)[nH]c2c(Br)cccc12 ZINC000648136813 565692268 /nfs/dbraw/zinc/69/22/68/565692268.db2.gz TZDPMFCNLIWPQG-IQMDTDKHSA-N 1 0 378.270 2.819 20 0 GFADRO COC(=O)c1c(Br)ccc(NC(=O)N[C@H]2CC[NH2+]C23CCC3)c1C ZINC000599607603 565692591 /nfs/dbraw/zinc/69/25/91/565692591.db2.gz ZWDQQYRSRURKDT-ZDUSSCGKSA-N 1 0 396.285 2.950 20 0 GFADRO COC(=O)c1cc(NC(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)c(Br)cc1F ZINC000599608241 565692844 /nfs/dbraw/zinc/69/28/44/565692844.db2.gz NCHMPIVSZZKEBP-BDAKNGLRSA-N 1 0 388.237 2.637 20 0 GFADRO COC(=O)c1cnc(CN[C@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)cn1 ZINC000599628516 565694030 /nfs/dbraw/zinc/69/40/30/565694030.db2.gz UNEKJWWLFJUVPL-MRXNPFEDSA-N 1 0 383.279 2.963 20 0 GFADRO CCCCNC(=O)NC(=O)C[NH2+][C@H](CN(C)C)c1ccc(Cl)c(Cl)c1 ZINC000599628396 565694061 /nfs/dbraw/zinc/69/40/61/565694061.db2.gz SGKVJDKKGNGWAG-OAHLLOKOSA-N 1 0 389.327 2.812 20 0 GFADRO O=S(=O)(NCC[NH2+][C@@H]1CCCc2cccnc21)c1ccc(Cl)cc1F ZINC000669618682 565695333 /nfs/dbraw/zinc/69/53/33/565695333.db2.gz DRJXSUQGWDKEQF-OAHLLOKOSA-N 1 0 383.876 2.820 20 0 GFADRO CCC(O)(CC)C[N@H+](C)CC(=O)Nc1ccccc1I ZINC000599672542 565696389 /nfs/dbraw/zinc/69/63/89/565696389.db2.gz FOBVETLDVMFUEV-UHFFFAOYSA-N 1 0 390.265 2.713 20 0 GFADRO CS[C@@H]1CN(C(=O)c2cc(O)cc(Br)c2)C[C@@H]1[NH+]1CCCC1 ZINC000599761941 565700597 /nfs/dbraw/zinc/70/05/97/565700597.db2.gz LXAUILYGNGRQQK-LSDHHAIUSA-N 1 0 385.327 2.807 20 0 GFADRO CSc1ccc(NC(=O)NCC2(O)CC[NH+](C)CC2)cc1Br ZINC000626647695 565705369 /nfs/dbraw/zinc/70/53/69/565705369.db2.gz NVBSAMJIXIONKL-UHFFFAOYSA-N 1 0 388.331 2.749 20 0 GFADRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCC[C@@H]1c1ccccc1I ZINC000599939435 565706878 /nfs/dbraw/zinc/70/68/78/565706878.db2.gz XWAONKKSOHSHPO-NILFDRSVSA-N 1 0 399.276 2.888 20 0 GFADRO CS(=O)(=O)N1CC[C@H](C[N@@H+]2CCC[C@H](c3nc4ccccc4s3)C2)C1 ZINC000669931220 565708381 /nfs/dbraw/zinc/70/83/81/565708381.db2.gz MSHFIIHFZPIKKT-CABCVRRESA-N 1 0 379.551 2.757 20 0 GFADRO COc1cc(NC(=O)N(CC[NH+](C)C)Cc2ccc(Br)cc2)[nH]n1 ZINC000626703203 565709276 /nfs/dbraw/zinc/70/92/76/565709276.db2.gz OGTDRIRPBYMIDD-UHFFFAOYSA-N 1 0 396.289 2.777 20 0 GFADRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000626949115 565717171 /nfs/dbraw/zinc/71/71/71/565717171.db2.gz PSAJWGPINVCWOA-XOKHGSTOSA-N 1 0 395.345 2.715 20 0 GFADRO Cc1csc(CCCCNC(=O)N2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)n1 ZINC000626965702 565717221 /nfs/dbraw/zinc/71/72/21/565717221.db2.gz KXAVXPPUKZPSPS-STQMWFEESA-N 1 0 378.464 2.943 20 0 GFADRO CO[C@H](C)c1nc(CNC(=O)N2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)cs1 ZINC000626996176 565717786 /nfs/dbraw/zinc/71/77/86/565717786.db2.gz KFVUESXHQOWUJA-CKYFFXLPSA-N 1 0 380.436 2.519 20 0 GFADRO CN(CCOCC[NH3+])C(=O)NCCOc1c(Cl)cc(Cl)cc1Cl ZINC000626995022 565718051 /nfs/dbraw/zinc/71/80/51/565718051.db2.gz OFGFUQIOLOEWHM-UHFFFAOYSA-N 1 0 384.691 2.642 20 0 GFADRO O=S(=O)(NCC[NH2+][C@@H]1CCOC2(CCC2)C1)c1cccc(Cl)c1Cl ZINC000648581125 565718398 /nfs/dbraw/zinc/71/83/98/565718398.db2.gz XSAAFILVQFLPON-GFCCVEGCSA-N 1 0 393.336 2.963 20 0 GFADRO C[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(-c3ccc(Cl)s3)nc2)C1 ZINC000670196692 565718483 /nfs/dbraw/zinc/71/84/83/565718483.db2.gz DJLJWWGZYLSGMB-GFCCVEGCSA-N 1 0 378.885 2.612 20 0 GFADRO CC(C)(CNC(=O)NC1(C[NH3+])CCOCC1)c1ccccc1Br ZINC000627002737 565718817 /nfs/dbraw/zinc/71/88/17/565718817.db2.gz ZQRVRNLODYPEJE-UHFFFAOYSA-N 1 0 384.318 2.534 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)N[C@@H]2COc3ccc(Cl)cc32)CC[C@H]1C(F)(F)F ZINC000627000493 565719057 /nfs/dbraw/zinc/71/90/57/565719057.db2.gz QCUWJZJBVRUPBU-OASPWFOLSA-N 1 0 377.794 2.942 20 0 GFADRO C[C@@H]1CC[C@@H](NC(=O)NCc2cnn(-c3ccc(Br)cc3)c2)C[NH2+]1 ZINC000627020440 565719665 /nfs/dbraw/zinc/71/96/65/565719665.db2.gz GMBSCSQVOIVRIV-IUODEOHRSA-N 1 0 392.301 2.575 20 0 GFADRO CN(CCOc1ccc(Br)cc1)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000627133884 565723013 /nfs/dbraw/zinc/72/30/13/565723013.db2.gz FGGFBOZSTCSZPW-HNNXBMFYSA-N 1 0 382.302 2.754 20 0 GFADRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@H](CO)c1ccc(Cl)cc1C(F)(F)F ZINC000627160698 565723304 /nfs/dbraw/zinc/72/33/04/565723304.db2.gz JYEXZYJIZRUQOI-BFHYXJOUSA-N 1 0 379.810 2.832 20 0 GFADRO C[C@@H](Oc1cc(Cl)cc(Cl)c1)C(=O)N(C)CCCN1CC[NH+](C)CC1 ZINC000600320900 565723445 /nfs/dbraw/zinc/72/34/45/565723445.db2.gz WUVVVRZDGPHQAU-CQSZACIVSA-N 1 0 388.339 2.857 20 0 GFADRO C[N@@H+]1CCCC[C@@H](CNC(=O)Cc2ccccc2I)C1 ZINC000600312325 565723497 /nfs/dbraw/zinc/72/34/97/565723497.db2.gz FCYLNCPVBNAZLJ-ZDUSSCGKSA-N 1 0 386.277 2.682 20 0 GFADRO [NH3+]C1(CNC(=O)N2CCC(c3ccccc3Br)CC2)CCOCC1 ZINC000627150229 565723953 /nfs/dbraw/zinc/72/39/53/565723953.db2.gz DQOOWQWBCBROHX-UHFFFAOYSA-N 1 0 396.329 2.846 20 0 GFADRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N(CCOC)Cc1cc(Br)cs1 ZINC000627162375 565724092 /nfs/dbraw/zinc/72/40/92/565724092.db2.gz LXEDVOSHRUUJBX-UONOGXRCSA-N 1 0 390.347 2.809 20 0 GFADRO C[NH2+]CCOCCNC(=O)N1CCCC[C@@H]1Cc1ccccc1Br ZINC000627172440 565724802 /nfs/dbraw/zinc/72/48/02/565724802.db2.gz ZDDXYQGTGBGNKB-MRXNPFEDSA-N 1 0 398.345 2.792 20 0 GFADRO CC(C)[NH2+]C1CCN(C(=O)C(=O)NCCc2ccc(Cl)cc2Cl)CC1 ZINC000670495547 565725413 /nfs/dbraw/zinc/72/54/13/565725413.db2.gz LVRUBXJSTMSIBP-UHFFFAOYSA-N 1 0 386.323 2.641 20 0 GFADRO C[C@@H]1CC[C@H](NC(=O)N2CCO[C@@H](c3cccc(Br)c3)C2)C[NH2+]1 ZINC000627194122 565726175 /nfs/dbraw/zinc/72/61/75/565726175.db2.gz CBVWDTUFHFPZHT-UHOFOFEASA-N 1 0 382.302 2.673 20 0 GFADRO CN(CCC[NH+]1CCCC1)C(=O)C(=O)NCCc1ccc(Cl)cc1Cl ZINC000670496943 565726313 /nfs/dbraw/zinc/72/63/13/565726313.db2.gz NRQRSTBTNCEVFF-UHFFFAOYSA-N 1 0 386.323 2.596 20 0 GFADRO C[C@H](CN(C)C(=O)NCCOCCC[NH3+])Oc1ccc(Cl)c(Cl)c1 ZINC000627217203 565727534 /nfs/dbraw/zinc/72/75/34/565727534.db2.gz HZMPVAYVDDMFPG-GFCCVEGCSA-N 1 0 378.300 2.768 20 0 GFADRO CC[C@H](Cc1cccc(Br)c1)C(=O)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000627259184 565728408 /nfs/dbraw/zinc/72/84/08/565728408.db2.gz ONCRLPRGIPBKTE-BPQIPLTHSA-N 1 0 395.341 2.685 20 0 GFADRO C[C@H](CC(=O)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1)c1ccc(F)c(Br)c1 ZINC000627268213 565730075 /nfs/dbraw/zinc/73/00/75/565730075.db2.gz YYHOEITWFKOMMT-VHDGCEQUSA-N 1 0 399.304 2.749 20 0 GFADRO O=C(NCCC[NH+]1CCC(O)CC1)c1cc2c(cncc2Br)s1 ZINC000648789211 565730241 /nfs/dbraw/zinc/73/02/41/565730241.db2.gz PENIAFWTJXHYSV-UHFFFAOYSA-N 1 0 398.326 2.635 20 0 GFADRO CC1=CC[N@H+](CCNC(=O)c2c3ccc(Br)cc3nn2C)CC1 ZINC000648862440 565735176 /nfs/dbraw/zinc/73/51/76/565735176.db2.gz LCLHYJCKWJTAEU-UHFFFAOYSA-N 1 0 377.286 2.718 20 0 GFADRO Cn1ccnc1[C@@H]1C[C@@H]([NH2+]Cc2cc3c(c(Br)c2)OCO3)CCO1 ZINC000648869692 565736546 /nfs/dbraw/zinc/73/65/46/565736546.db2.gz TUKLSTJJEDEDRH-WFASDCNBSA-N 1 0 394.269 2.921 20 0 GFADRO Cn1nc2cc(Br)ccc2c1C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000648882123 565737342 /nfs/dbraw/zinc/73/73/42/565737342.db2.gz IOILKICTESMUKG-UHFFFAOYSA-N 1 0 391.313 2.940 20 0 GFADRO C[C@H]1CC[C@H](NC(=O)C(=O)N(Cc2cccs2)Cc2cccs2)C[NH2+]1 ZINC000627478098 565737303 /nfs/dbraw/zinc/73/73/03/565737303.db2.gz HMGODJWULSBNQF-KBPBESRZSA-N 1 0 377.535 2.595 20 0 GFADRO Cc1sc2ncnc(SCCC(=O)N3C[C@H]4[C@@H](C3)[C@@H]4[NH+](C)C)c2c1C ZINC000627648662 565744897 /nfs/dbraw/zinc/74/48/97/565744897.db2.gz RLYZULMIPSCEAW-VIKVFOODSA-N 1 0 376.551 2.809 20 0 GFADRO CSc1ccc(NC(=O)C(=O)NCC[C@@H](C)[NH+](C)C)cc1Br ZINC000627639103 565745040 /nfs/dbraw/zinc/74/50/40/565745040.db2.gz IWQIQULOHHYVPL-SNVBAGLBSA-N 1 0 388.331 2.566 20 0 GFADRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 ZINC000649074339 565746195 /nfs/dbraw/zinc/74/61/95/565746195.db2.gz GMQLFGALOYMTAS-HFBAOOFYSA-N 1 0 384.307 2.675 20 0 GFADRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000649069352 565746397 /nfs/dbraw/zinc/74/63/97/565746397.db2.gz SPCHFBIRYDUTTG-SECBINFHSA-N 1 0 378.687 2.839 20 0 GFADRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000649072755 565746443 /nfs/dbraw/zinc/74/64/43/565746443.db2.gz IINFIIFHBJVQNT-JTQLQIEISA-N 1 0 377.794 2.551 20 0 GFADRO Cc1ccc(CC(=O)N2CCOC3(CC[NH+](C)CC3)C2)cc1Br ZINC000649130781 565749339 /nfs/dbraw/zinc/74/93/39/565749339.db2.gz WIGGUXKUJCVRRL-UHFFFAOYSA-N 1 0 381.314 2.623 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)NC[C@@H]2CCCC[N@@H+](C)C2)c(Br)c1 ZINC000627827269 565754732 /nfs/dbraw/zinc/75/47/32/565754732.db2.gz UWSOMIMXMRZDAN-AWEZNQCLSA-N 1 0 396.329 2.853 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)C(=O)NC[C@H]1CCCC[N@@H+](C)C1 ZINC000627828490 565754760 /nfs/dbraw/zinc/75/47/60/565754760.db2.gz CJPJJNHMBMJNQP-CYBMUJFWSA-N 1 0 382.302 2.544 20 0 GFADRO O=C(CCCN1CC[NH+]([C@H]2CCC[C@H]2O)CC1)c1ccc(Br)cc1 ZINC000649284411 565756868 /nfs/dbraw/zinc/75/68/68/565756868.db2.gz UYVSFWZFTLKUDR-PKOBYXMFSA-N 1 0 395.341 2.943 20 0 GFADRO OCC[C@H]1CCCCC[N@@H+]1C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000671247623 565759131 /nfs/dbraw/zinc/75/91/31/565759131.db2.gz DVIDWDDPTSMXNO-CVEARBPZSA-N 1 0 390.293 2.955 20 0 GFADRO CC(C)Oc1ccc([C@@H](C)[NH2+]CC2(O)CCS(=O)(=O)CC2)cc1Cl ZINC000671296767 565761052 /nfs/dbraw/zinc/76/10/52/565761052.db2.gz PMPJLFLVGNSDMB-CYBMUJFWSA-N 1 0 375.918 2.718 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)C(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000627906315 565761473 /nfs/dbraw/zinc/76/14/73/565761473.db2.gz RSHCBQZBCXYELH-HNNXBMFYSA-N 1 0 394.313 2.829 20 0 GFADRO CN1CCC[C@@H]1C[N@@H+]1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000649554537 565765224 /nfs/dbraw/zinc/76/52/24/565765224.db2.gz DOHSBYSAYCIMDC-DZGCQCFKSA-N 1 0 381.318 2.589 20 0 GFADRO CC1(C)NC(=O)N(CC[NH2+]C2(c3ccccc3Br)CCC2)C1=O ZINC000649646869 565771783 /nfs/dbraw/zinc/77/17/83/565771783.db2.gz USYJOHKRMVPZPU-UHFFFAOYSA-N 1 0 380.286 2.748 20 0 GFADRO CNC(=O)[C@H]1CCC[C@H]1[NH2+]Cc1cc2c(cc1Br)OCCCO2 ZINC000671627975 565776849 /nfs/dbraw/zinc/77/68/49/565776849.db2.gz XEWCHRCPBAXOCM-GXTWGEPZSA-N 1 0 383.286 2.615 20 0 GFADRO O=S(=O)(C[C@H](O)C[NH2+]CCc1cccc(C(F)(F)F)c1)c1cccs1 ZINC000628229709 565780540 /nfs/dbraw/zinc/78/05/40/565780540.db2.gz FSROFYIVASYYEE-CQSZACIVSA-N 1 0 393.452 2.734 20 0 GFADRO O=S(=O)(C1CC1)N1CCC[N@@H+](CCc2cccc(C(F)(F)F)c2)CC1 ZINC000628265004 565781822 /nfs/dbraw/zinc/78/18/22/565781822.db2.gz MEGYKCATIFFDOF-UHFFFAOYSA-N 1 0 376.444 2.748 20 0 GFADRO CS[C@@H]1CN(C(=O)c2c(F)cncc2Br)C[C@H]1[NH+]1CCCC1 ZINC000601437858 565784406 /nfs/dbraw/zinc/78/44/06/565784406.db2.gz WEHPIERGAULMCC-CHWSQXEVSA-N 1 0 388.306 2.635 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C[N@@H+](C)[C@H]1CCC(=O)N(C)C1 ZINC000628368712 565785672 /nfs/dbraw/zinc/78/56/72/565785672.db2.gz UOHRYTIYIXYXJP-KRWDZBQOSA-N 1 0 391.313 2.996 20 0 GFADRO C[N@H+](Cc1ccc(OC(F)(F)F)c(Br)c1)[C@]1(CO)CCOC1 ZINC000628367738 565786220 /nfs/dbraw/zinc/78/62/20/565786220.db2.gz QBERKPXDLSQXKY-ZDUSSCGKSA-N 1 0 384.192 2.931 20 0 GFADRO CC(C)(C)C1=CC[N@H+](CCNC(=O)CCn2cc(Br)cn2)CC1 ZINC000671799665 565786945 /nfs/dbraw/zinc/78/69/45/565786945.db2.gz LTKMXKLYUWDMQA-UHFFFAOYSA-N 1 0 383.334 2.830 20 0 GFADRO COc1ccc([C@@H](C[NH+](C)C)NC(=O)c2ncc(Br)s2)cc1 ZINC000671931195 565791930 /nfs/dbraw/zinc/79/19/30/565791930.db2.gz CRYRQBAHAAXWGL-GFCCVEGCSA-N 1 0 384.299 2.947 20 0 GFADRO CSC1(CNC(=O)c2cc(Br)c3nccn3c2)CC[NH+](C)CC1 ZINC000601587975 565793373 /nfs/dbraw/zinc/79/33/73/565793373.db2.gz IMLLWYQENXYWNY-UHFFFAOYSA-N 1 0 397.342 2.654 20 0 GFADRO C[C@@H]1[C@H](C)N(C(=O)CCNC(=O)c2ccc(Br)cc2)[C@@H](C)C[N@@H+]1C ZINC000650145788 565799377 /nfs/dbraw/zinc/79/93/77/565799377.db2.gz QOFXDOOGQBQIOK-MJBXVCDLSA-N 1 0 396.329 2.509 20 0 GFADRO C[C@@H]1C[N@H+](C)[C@H](C)[C@H](C)N1C(=O)c1c2ccc(Br)cc2nn1C ZINC000650155862 565800513 /nfs/dbraw/zinc/80/05/13/565800513.db2.gz HHGDEFFAPADMSN-UTUOFQBUSA-N 1 0 379.302 2.889 20 0 GFADRO C[NH+](C)C1(CNC(=O)NCCn2cc(Br)cn2)CCCCCC1 ZINC000672357457 565803219 /nfs/dbraw/zinc/80/32/19/565803219.db2.gz ZYPKXCITPDBWNF-UHFFFAOYSA-N 1 0 386.338 2.599 20 0 GFADRO O=C([C@H]1CC[N@@H+](C[C@@H](O)COc2ccc(Cl)c(Cl)c2)C1)N1CCCC1 ZINC000672573025 565813288 /nfs/dbraw/zinc/81/32/88/565813288.db2.gz OKMJFFDOVAOOGP-UONOGXRCSA-N 1 0 387.307 2.677 20 0 GFADRO CC1([NH+]2CCOCC2)CCN(C(=O)Cc2ccc(Br)cc2F)CC1 ZINC000628904859 565813926 /nfs/dbraw/zinc/81/39/26/565813926.db2.gz ZAGISJUVQOZOTF-UHFFFAOYSA-N 1 0 399.304 2.844 20 0 GFADRO O=C(CNC(=O)c1ccc(Cl)c(Cl)c1)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000628967682 565817090 /nfs/dbraw/zinc/81/70/90/565817090.db2.gz FDZMZHPIELRJHE-CQSZACIVSA-N 1 0 384.307 2.856 20 0 GFADRO Cc1nc(SCC(=O)N[C@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)n[nH]1 ZINC000628969353 565817163 /nfs/dbraw/zinc/81/71/63/565817163.db2.gz SFCMXFFIUSJZDA-CYBMUJFWSA-N 1 0 388.324 2.931 20 0 GFADRO CO[C@H](C(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1)[C@@H]1CCOC1 ZINC000628969015 565817627 /nfs/dbraw/zinc/81/76/27/565817627.db2.gz JESIQZLWZBSYTP-KCXAZCMYSA-N 1 0 375.296 2.764 20 0 GFADRO Cn1nccc1COCC(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000628968591 565817655 /nfs/dbraw/zinc/81/76/55/565817655.db2.gz IGMIVQMITJDBAD-INIZCTEOSA-N 1 0 385.295 2.663 20 0 GFADRO CC1(C)CN(C(=O)N[C@@H]2COc3c2ccc(Cl)c3Cl)CC[N@@H+]1CCO ZINC000672903522 565821869 /nfs/dbraw/zinc/82/18/69/565821869.db2.gz PAWHLLDCVIIMKP-CYBMUJFWSA-N 1 0 388.295 2.525 20 0 GFADRO O=C(NCC[N@H+]1CC[C@@H](O)C1)C1(c2ccccc2Br)CCCCC1 ZINC000629168512 565827107 /nfs/dbraw/zinc/82/71/07/565827107.db2.gz JZXKTIQRFYSJKD-OAHLLOKOSA-N 1 0 395.341 2.834 20 0 GFADRO O=C(NC[C@@H]1CCCC[N@H+]1CCO)c1c[nH]c2ccc(Br)cc12 ZINC000650597277 565828506 /nfs/dbraw/zinc/82/85/06/565828506.db2.gz TUCGKWBPZLYVLB-ZDUSSCGKSA-N 1 0 380.286 2.507 20 0 GFADRO O=C(CCSc1ccccc1Br)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000673511912 565837918 /nfs/dbraw/zinc/83/79/18/565837918.db2.gz FWHRQPVYPUSYST-KGLIPLIRSA-N 1 0 399.354 2.599 20 0 GFADRO CC[C@H](Cc1ccccc1Br)C(=O)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000673513081 565839168 /nfs/dbraw/zinc/83/91/68/565839168.db2.gz OYTFQBLSHLQRSI-OIISXLGYSA-N 1 0 395.341 2.685 20 0 GFADRO CCn1cc(Br)cc1C(=O)N1CCC(CC)([NH+]2CCOCC2)CC1 ZINC000629417132 565850853 /nfs/dbraw/zinc/85/08/53/565850853.db2.gz BUABAPLQWUHIMX-UHFFFAOYSA-N 1 0 398.345 2.988 20 0 GFADRO CCC1([NH+]2CCOCC2)CCN(C(=O)c2nc(SC)ncc2Cl)CC1 ZINC000629417635 565850893 /nfs/dbraw/zinc/85/08/93/565850893.db2.gz OWZMTTWFCPREMF-UHFFFAOYSA-N 1 0 384.933 2.569 20 0 GFADRO CN(Cc1csc(Br)c1)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000673868498 565851484 /nfs/dbraw/zinc/85/14/84/565851484.db2.gz BABLYWHPAZSGGJ-UHFFFAOYSA-N 1 0 386.319 2.933 20 0 GFADRO C[C@H](Cc1c(Cl)cccc1Cl)NC(=O)C1([S@](C)=O)CC[NH2+]CC1 ZINC000602514302 565852108 /nfs/dbraw/zinc/85/21/08/565852108.db2.gz SSTNKVSEBRIJQG-BGJPBQGDSA-N 1 0 377.337 2.541 20 0 GFADRO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)c1cc(I)cc(C(F)(F)F)c1 ZINC000602597960 565855999 /nfs/dbraw/zinc/85/59/99/565855999.db2.gz WXTQUMJGJBFTCR-RDDDGLTNSA-N 1 0 398.166 2.872 20 0 GFADRO C[C@@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH2+]C[C@@H]1COCCN1 ZINC000629538591 565857523 /nfs/dbraw/zinc/85/75/23/565857523.db2.gz UDPIMYLUMMBVGL-CMPLNLGQSA-N 1 0 379.810 2.654 20 0 GFADRO [NH3+]C[C@H]1CN(CC(=O)Nc2ccccc2Br)CC[C@@H]1C(F)(F)F ZINC000629569271 565858785 /nfs/dbraw/zinc/85/87/85/565858785.db2.gz WRILHRGKIFZXDV-QWRGUYRKSA-N 1 0 394.235 2.847 20 0 GFADRO [NH3+]Cc1cccc2c1N(Cc1nnnn1-c1ccccc1Br)CCC2 ZINC000629561182 565858903 /nfs/dbraw/zinc/85/89/03/565858903.db2.gz SHPHTVAZEPMAPG-UHFFFAOYSA-N 1 0 399.296 2.836 20 0 GFADRO [NH3+]C[C@@H]1CN([C@H]2CCN(c3cccc(Cl)c3)C2=O)CC[C@@H]1C(F)(F)F ZINC000629563122 565859070 /nfs/dbraw/zinc/85/90/70/565859070.db2.gz QAUNCOIPRYHGST-UGFHNGPFSA-N 1 0 375.822 2.904 20 0 GFADRO COc1ncc(Br)cc1CN1CCC[C@@H](C[NH3+])[C@H]1C(F)(F)F ZINC000629581970 565860429 /nfs/dbraw/zinc/86/04/29/565860429.db2.gz KUCHVRNZRFUTSB-CABZTGNLSA-N 1 0 382.224 2.954 20 0 GFADRO Cn1ncc(C(=O)OC(C)(C)C)c1C[NH2+]CCCn1cc(Br)cn1 ZINC000602662230 565860636 /nfs/dbraw/zinc/86/06/36/565860636.db2.gz MFHWEKJAFIYYFD-UHFFFAOYSA-N 1 0 398.305 2.514 20 0 GFADRO C[C@@H]([NH2+]CC(=O)Nc1ccc(I)cc1)[C@@H]1CC1(F)F ZINC000602655030 565861251 /nfs/dbraw/zinc/86/12/51/565861251.db2.gz SVHDTKFEJAESPB-KCJUWKMLSA-N 1 0 380.176 2.863 20 0 GFADRO CCc1cccc(OC[C@H](O)C[NH2+]Cc2cc(Br)cnc2OC)c1 ZINC000629593600 565861559 /nfs/dbraw/zinc/86/15/59/565861559.db2.gz RXLXRQHXIZDJMK-MRXNPFEDSA-N 1 0 395.297 2.945 20 0 GFADRO CCN1C[C@@H](CNc2cc[nH+]c3cc(OC)c(Br)cc23)CC1=O ZINC000651423221 565862629 /nfs/dbraw/zinc/86/26/29/565862629.db2.gz CWWZYBXZKUYKAH-LLVKDONJSA-N 1 0 378.270 2.708 20 0 GFADRO O[C@@H](C[NH2+]C[C@@H]1CCN1C1CCCC1)COc1ccc(Br)cc1 ZINC000629604192 565863788 /nfs/dbraw/zinc/86/37/88/565863788.db2.gz STKRNJOBMQPIJB-IRXDYDNUSA-N 1 0 383.330 2.795 20 0 GFADRO O=C(CC[NH2+][C@H]1CCN(C2CCC2)C1=O)Nc1ccc(Br)cc1 ZINC000629616817 565864831 /nfs/dbraw/zinc/86/48/31/565864831.db2.gz BVIKJPAWDIAQIE-HNNXBMFYSA-N 1 0 380.286 2.521 20 0 GFADRO CCOC(=O)[C@]1(C[NH2+]Cc2ncc(Br)cc2Cl)CCCOC1 ZINC000602744329 565866191 /nfs/dbraw/zinc/86/61/91/565866191.db2.gz JMLFMVGRTUNALW-HNNXBMFYSA-N 1 0 391.693 2.947 20 0 GFADRO COC(=O)c1coc(CN2CC[C@H](Oc3cncc(Br)c3)C2)c1 ZINC000602880586 565873538 /nfs/dbraw/zinc/87/35/38/565873538.db2.gz HFAAERIFHRNVMZ-ZDUSSCGKSA-N 1 0 381.226 2.877 20 0 GFADRO C[NH+](C)CCCOC1CCN(S(=O)(=O)c2ccc(Cl)c(F)c2)CC1 ZINC000651591546 565876447 /nfs/dbraw/zinc/87/64/47/565876447.db2.gz VHFWNKHGUDGIRD-UHFFFAOYSA-N 1 0 378.897 2.601 20 0 GFADRO CC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2sc(Br)cc2C)C1 ZINC000651583768 565876644 /nfs/dbraw/zinc/87/66/44/565876644.db2.gz SUADNWKVRUZGIU-NSHDSACASA-N 1 0 381.361 2.781 20 0 GFADRO C[N@H+](CC(=O)NCc1noc(-c2cccc(Br)c2)n1)C1CCC1 ZINC000629987598 565877783 /nfs/dbraw/zinc/87/77/83/565877783.db2.gz UVTQPGMWQBDCOZ-UHFFFAOYSA-N 1 0 379.258 2.600 20 0 GFADRO Cc1cc(Cl)cc(NC(=O)C(=O)N[C@@H]2CCC[N@@H+](C)C2)c1Br ZINC000651610530 565878984 /nfs/dbraw/zinc/87/89/84/565878984.db2.gz KMURETRGPYLGJJ-LLVKDONJSA-N 1 0 388.693 2.560 20 0 GFADRO C[C@H]1C[C@@H](N2CCOCC2)CN1S(=O)(=O)Cc1cc(Cl)sc1Cl ZINC000651702552 565886280 /nfs/dbraw/zinc/88/62/80/565886280.db2.gz YFDAGCBNEHOJOY-CMPLNLGQSA-N 1 0 399.365 2.680 20 0 GFADRO CCC[C@H](C(=O)OCC)n1cc([C@H]([NH3+])c2ccc(Br)cc2)nn1 ZINC000603202298 565889932 /nfs/dbraw/zinc/88/99/32/565889932.db2.gz SOXJDMAMMHVOSE-HUUCEWRRSA-N 1 0 381.274 2.993 20 0 GFADRO CCCC[C@@H](C(=O)OC)n1cc([C@H]([NH3+])c2ccc(Br)cc2)nn1 ZINC000603202821 565890121 /nfs/dbraw/zinc/89/01/21/565890121.db2.gz YNVMACOFQTZSCJ-LSDHHAIUSA-N 1 0 381.274 2.993 20 0 GFADRO OCCCOC1CC[NH+](C[C@@H](O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000675040991 565891554 /nfs/dbraw/zinc/89/15/54/565891554.db2.gz SXDRPFXDWUCKKF-CYBMUJFWSA-N 1 0 378.296 2.597 20 0 GFADRO CCOC(=O)c1ncc(Cn2cc([C@@H]([NH3+])c3ccc(Cl)cc3)nn2)s1 ZINC000603243378 565892094 /nfs/dbraw/zinc/89/20/94/565892094.db2.gz AGJBUIKFKZKERY-AWEZNQCLSA-N 1 0 377.857 2.661 20 0 GFADRO COC(=O)c1scc(C)c1S(=O)(=O)N1CCCC[C@H]1[C@@H](C)C[NH+](C)C ZINC000603391870 565902550 /nfs/dbraw/zinc/90/25/50/565902550.db2.gz UWTXZHCYSPTDKU-JSGCOSHPSA-N 1 0 388.555 2.584 20 0 GFADRO CC[NH+]1CCN([C@@H](C)CNC(=O)CCCc2cccc(Br)c2)CC1 ZINC000675462578 565903894 /nfs/dbraw/zinc/90/38/94/565903894.db2.gz FIJBUZPMRZTGSD-INIZCTEOSA-N 1 0 396.373 2.914 20 0 GFADRO O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)c1c(F)cncc1Br ZINC000630592608 565910266 /nfs/dbraw/zinc/91/02/66/565910266.db2.gz UMNSODVXERTWTP-ZDUSSCGKSA-N 1 0 378.245 2.988 20 0 GFADRO C[C@H](Cc1cccs1)[NH2+]Cc1ccc(S(=O)(=O)N2CCOCC2)s1 ZINC000675744363 565913968 /nfs/dbraw/zinc/91/39/68/565913968.db2.gz RRPKXWSQSWIDDU-CYBMUJFWSA-N 1 0 386.564 2.551 20 0 GFADRO O[C@@H](C[NH2+]Cc1[nH]nc2ccccc21)COc1ccccc1Br ZINC000675763535 565914663 /nfs/dbraw/zinc/91/46/63/565914663.db2.gz QCCSYSZIHWQWKB-LBPRGKRZSA-N 1 0 376.254 2.855 20 0 GFADRO C[C@H](NC(=O)NCCC1(C[NH3+])CC1)c1cc2c(cc1Br)OCCO2 ZINC000652135243 565916598 /nfs/dbraw/zinc/91/65/98/565916598.db2.gz KTPDDUXSUXYYRO-NSHDSACASA-N 1 0 398.301 2.710 20 0 GFADRO C[NH+](C)CC1CCN(C(=O)c2cc(=O)c3cc(Br)ccc3[nH]2)CC1 ZINC000603894233 565918030 /nfs/dbraw/zinc/91/80/30/565918030.db2.gz FWOAZYSRFXNQNN-UHFFFAOYSA-N 1 0 392.297 2.704 20 0 GFADRO Cc1cc(Br)cn2cc(CNC(=O)NCCC3CC[NH2+]CC3)nc12 ZINC000652178775 565918797 /nfs/dbraw/zinc/91/87/97/565918797.db2.gz XHQPGMADIGRQQY-UHFFFAOYSA-N 1 0 394.317 2.594 20 0 GFADRO CCN(CCOc1ccc(Br)cc1)C(=O)NCCC1(C[NH3+])CC1 ZINC000652240459 565919668 /nfs/dbraw/zinc/91/96/68/565919668.db2.gz CBNYJTYZNHTIKA-UHFFFAOYSA-N 1 0 384.318 2.988 20 0 GFADRO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+][C@@H]1CCO[C@H](c2ccncc2)C1 ZINC000652279653 565921112 /nfs/dbraw/zinc/92/11/12/565921112.db2.gz GGOALZUYYYFQIA-XKQJLSEDSA-N 1 0 392.297 2.904 20 0 GFADRO C[C@@H]1CCCN(CC(=O)N(C)Cc2cc(Br)cs2)[C@@H]1CC[NH3+] ZINC000652354564 565924445 /nfs/dbraw/zinc/92/44/45/565924445.db2.gz BWWIAMZAHVIGKC-IUODEOHRSA-N 1 0 388.375 2.918 20 0 GFADRO Cc1cc(Br)sc1S(=O)(=O)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000652366859 565924951 /nfs/dbraw/zinc/92/49/51/565924951.db2.gz VIDDYCMLGAAYNU-NWDGAFQWSA-N 1 0 393.372 2.972 20 0 GFADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)COc3c(Cl)cccc3Cl)CC2)C1 ZINC000604350489 565927816 /nfs/dbraw/zinc/92/78/16/565927816.db2.gz CHHSTAMQKGPWCF-AWEZNQCLSA-N 1 0 386.323 2.611 20 0 GFADRO CC[NH+]1CCN(CCC(=O)NC2(c3ccccc3Br)CCC2)CC1 ZINC000652515864 565932295 /nfs/dbraw/zinc/93/22/95/565932295.db2.gz PCJYSADBAHNZMX-UHFFFAOYSA-N 1 0 394.357 2.972 20 0 GFADRO [NH3+]CC1(CCNC(=O)Nc2cc(Br)ccc2N2CCOCC2)CC1 ZINC000652569082 565934034 /nfs/dbraw/zinc/93/40/34/565934034.db2.gz CXSKNFZWLDTVMB-UHFFFAOYSA-N 1 0 397.317 2.536 20 0 GFADRO CCO[C@@H]1CN(C(=O)Nc2cccc(Cl)c2OCC(F)F)C[C@H]1C[NH3+] ZINC000652605462 565934756 /nfs/dbraw/zinc/93/47/56/565934756.db2.gz ILLQKTJRLVODQV-ZWNOBZJWSA-N 1 0 377.819 2.811 20 0 GFADRO C[NH+](C)CC[C@H](NC(=O)CS(=O)(=O)Cc1ccc(Cl)s1)C(C)(C)C ZINC000604726876 565935324 /nfs/dbraw/zinc/93/53/24/565935324.db2.gz XWXDKWIZTHXYHI-ZDUSSCGKSA-N 1 0 394.990 2.799 20 0 GFADRO OC[C@@]1([NH2+]Cc2ccc(Br)cn2)CCCN(Cc2ccccc2)C1 ZINC000604769824 565936842 /nfs/dbraw/zinc/93/68/42/565936842.db2.gz VZZLWVFBGLMOFV-LJQANCHMSA-N 1 0 390.325 2.961 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)NCCC1CC[NH2+]CC1 ZINC000652644152 565936974 /nfs/dbraw/zinc/93/69/74/565936974.db2.gz QEKNPDKYNNALMM-UHFFFAOYSA-N 1 0 382.302 2.510 20 0 GFADRO CCN(CC)[C@@H](C[NH2+]Cc1ccc(Cl)c(S(N)(=O)=O)c1)c1ccco1 ZINC000631055259 565937220 /nfs/dbraw/zinc/93/72/20/565937220.db2.gz MWZOGNHLWMOXRX-HNNXBMFYSA-N 1 0 385.917 2.753 20 0 GFADRO C[C@@H](NCc1ccc(Cl)c(S(N)(=O)=O)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000631109532 565941098 /nfs/dbraw/zinc/94/10/98/565941098.db2.gz FTHWFKPCDFUQOA-UKRRQHHQSA-N 1 0 385.961 2.730 20 0 GFADRO O=S1(=O)CCC(CC[NH2+]Cc2ncc(Br)cc2Cl)CC1 ZINC000631104010 565941671 /nfs/dbraw/zinc/94/16/71/565941671.db2.gz OGVCXRDXQXQWNI-UHFFFAOYSA-N 1 0 381.723 2.802 20 0 GFADRO O=S(=O)(C[C@H](O)C[NH2+]Cc1ccccc1CC(F)(F)F)c1cccs1 ZINC000631098831 565941708 /nfs/dbraw/zinc/94/17/08/565941708.db2.gz DJJUZFKGCUPPER-CQSZACIVSA-N 1 0 393.452 2.777 20 0 GFADRO COc1cc(Cl)ccc1S(=O)(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000676497589 565941823 /nfs/dbraw/zinc/94/18/23/565941823.db2.gz DKCKWPCNBUPBSQ-CZUORRHYSA-N 1 0 384.929 2.986 20 0 GFADRO COc1cc(CC[NH2+]Cc2ccc(Cl)c(S(N)(=O)=O)c2)ccc1Cl ZINC000631147208 565944010 /nfs/dbraw/zinc/94/40/10/565944010.db2.gz ZKIQQNHJJAOYKK-UHFFFAOYSA-N 1 0 389.304 2.982 20 0 GFADRO COc1ccc(C[C@](C)(O)C[NH2+]Cc2ccncc2Br)cc1OC ZINC000631141249 565944430 /nfs/dbraw/zinc/94/44/30/565944430.db2.gz SZNYEEBWDFXITM-SFHVURJKSA-N 1 0 395.297 2.945 20 0 GFADRO O=C(CN1CCc2sc(Br)cc2C1)NC1CC[NH+](C2CC2)CC1 ZINC000676710231 565944835 /nfs/dbraw/zinc/94/48/35/565944835.db2.gz GLNFRJNGLSYKOI-UHFFFAOYSA-N 1 0 398.370 2.612 20 0 GFADRO C[N@@H+]1CCC[C@@H](NC(=O)c2nn(-c3ccc(F)cc3)cc2Br)C1 ZINC000605126794 565946648 /nfs/dbraw/zinc/94/66/48/565946648.db2.gz ROJBOHSSQRRJKQ-GFCCVEGCSA-N 1 0 381.249 2.598 20 0 GFADRO CN(CC[NH+]1CCCCC1)C(=O)c1cccnc1-n1cc(Br)cn1 ZINC000652992661 565950497 /nfs/dbraw/zinc/95/04/97/565950497.db2.gz YRXSQCRNRFHSAC-UHFFFAOYSA-N 1 0 392.301 2.588 20 0 GFADRO Cc1cc(Br)c(C[NH2+][C@@H]2COCC[C@H]2O)cc1Br ZINC000631271813 565952547 /nfs/dbraw/zinc/95/25/47/565952547.db2.gz IYUHAXJGOXCRDT-CHWSQXEVSA-N 1 0 379.092 2.759 20 0 GFADRO CSc1ccc([C@H](CNc2c(F)cccc2S(N)(=O)=O)[NH+](C)C)cc1 ZINC000631297439 565953783 /nfs/dbraw/zinc/95/37/83/565953783.db2.gz ZZZBAWFOOSIJCS-HNNXBMFYSA-N 1 0 383.514 2.910 20 0 GFADRO C[C@H]1Cc2cc(S(=O)(=O)N3CCC[C@H]3C[NH+]3CCCC3)cc(Cl)c2O1 ZINC000605582926 565954482 /nfs/dbraw/zinc/95/44/82/565954482.db2.gz HHWRWZNXYMHOKP-ZFWWWQNUSA-N 1 0 384.929 2.912 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653083380 565954440 /nfs/dbraw/zinc/95/44/40/565954440.db2.gz XRUMOJBMDFVXFC-HUUCEWRRSA-N 1 0 394.313 2.733 20 0 GFADRO C[C@@H]1Cc2cc(S(=O)(=O)N3CC[C@H]([NH+]4CCCCC4)C3)cc(Cl)c2O1 ZINC000605592230 565954509 /nfs/dbraw/zinc/95/45/09/565954509.db2.gz VJSPUWHSTTZTCW-HIFRSBDPSA-N 1 0 384.929 2.912 20 0 GFADRO O=C(NCc1noc(-c2cccc(Br)c2)n1)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653160608 565956637 /nfs/dbraw/zinc/95/66/37/565956637.db2.gz OSMVWEXNDLQWER-ZIAGYGMSSA-N 1 0 391.269 2.646 20 0 GFADRO COCC[NH2+]C1CCN(C(=O)c2cn(C)nc2-c2ccc(Cl)s2)CC1 ZINC000653180218 565957158 /nfs/dbraw/zinc/95/71/58/565957158.db2.gz LFBNPGKVYBJKLH-UHFFFAOYSA-N 1 0 382.917 2.643 20 0 GFADRO C[NH+](C)CC[C@@H](N)C(=O)N1CCCC[C@H]1Cc1cccc(Br)c1 ZINC000653166005 565957234 /nfs/dbraw/zinc/95/72/34/565957234.db2.gz QDYLJQURWPICFT-DLBZAZTESA-N 1 0 382.346 2.652 20 0 GFADRO [NH3+]CC1(CCNC(=O)[C@@H](c2ccc(Cl)cc2Cl)N2CCOCC2)CC1 ZINC000653221479 565959540 /nfs/dbraw/zinc/95/95/40/565959540.db2.gz YUFBXAAQFJEJNH-MRXNPFEDSA-N 1 0 386.323 2.612 20 0 GFADRO O=C([C@@H]1C[C@H]1c1cccc(Br)c1)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000653226948 565959556 /nfs/dbraw/zinc/95/95/56/565959556.db2.gz LLASDZFHXSDTIN-BSDSXHPESA-N 1 0 393.325 2.610 20 0 GFADRO [NH3+]CC1(CCNC(=O)[C@H](c2ccc(Br)cc2)N2CCCC2)CC1 ZINC000653221232 565959625 /nfs/dbraw/zinc/95/96/25/565959625.db2.gz OJAVINJMAWMZQW-INIZCTEOSA-N 1 0 380.330 2.831 20 0 GFADRO [NH3+]CC1(CCNC(=O)[C@@H](c2ccc(Br)cc2)N2CCCC2)CC1 ZINC000653221233 565959711 /nfs/dbraw/zinc/95/97/11/565959711.db2.gz OJAVINJMAWMZQW-MRXNPFEDSA-N 1 0 380.330 2.831 20 0 GFADRO C[NH+]1CCC(n2cc(NC(=O)Nc3cc(Br)ccn3)cn2)CC1 ZINC000631492483 565959864 /nfs/dbraw/zinc/95/98/64/565959864.db2.gz ADRBHKHGSWIMTE-UHFFFAOYSA-N 1 0 379.262 2.951 20 0 GFADRO O=C(NCCC1CC[NH2+]CC1)c1cnn(-c2ccc(Br)cc2)c1 ZINC000653269473 565960937 /nfs/dbraw/zinc/96/09/37/565960937.db2.gz CVARETCRJWURBF-UHFFFAOYSA-N 1 0 377.286 2.754 20 0 GFADRO O=C(NCCC1CC[NH2+]CC1)c1ncc(Br)cc1Br ZINC000653272794 565960956 /nfs/dbraw/zinc/96/09/56/565960956.db2.gz BOKSNSGIRFYEGD-UHFFFAOYSA-N 1 0 391.107 2.726 20 0 GFADRO O=C(NCCC1CC[NH2+]CC1)c1cnn(-c2cccc(Br)c2)c1 ZINC000653271104 565961716 /nfs/dbraw/zinc/96/17/16/565961716.db2.gz NOTXMGWHIGSUIA-UHFFFAOYSA-N 1 0 377.286 2.754 20 0 GFADRO CC[N@@H+]1CCN(C(=O)CCNC(=O)Nc2ccc(Br)cc2)C[C@H]1C ZINC000677180033 565963082 /nfs/dbraw/zinc/96/30/82/565963082.db2.gz OAJQEENUJSKJCJ-CYBMUJFWSA-N 1 0 397.317 2.513 20 0 GFADRO C[NH+](C)[C@@]1(CNC(=O)Cc2csc(CCC(F)(F)F)n2)CCSC1 ZINC000631618025 565963865 /nfs/dbraw/zinc/96/38/65/565963865.db2.gz ZCWVTPKRHACRIM-CQSZACIVSA-N 1 0 381.489 2.734 20 0 GFADRO OC1(C[NH2+]Cc2cc3c(c(Br)c2)OCO3)Cc2ccccc2C1 ZINC000606472471 565965990 /nfs/dbraw/zinc/96/59/90/565965990.db2.gz HQDOUEQWDAAHSK-UHFFFAOYSA-N 1 0 376.250 2.797 20 0 GFADRO Cc1ccc([C@H](CNC(=O)NCc2n[nH]cc2Br)[NH+]2CCCC2)o1 ZINC000606497228 565966490 /nfs/dbraw/zinc/96/64/90/565966490.db2.gz VRGWKKWUTGKRCS-AWEZNQCLSA-N 1 0 396.289 2.710 20 0 GFADRO Cc1ccc(F)c(Br)c1NC(=O)N1CCN(CCO)C(C)(C)C1 ZINC000653479715 565967001 /nfs/dbraw/zinc/96/70/01/565967001.db2.gz UXQGNCHMWHKTQP-UHFFFAOYSA-N 1 0 388.281 2.817 20 0 GFADRO COc1ccccc1NC(=O)C[C@@H](C)[NH2+]Cc1c(Br)cnn1C ZINC000631682954 565967635 /nfs/dbraw/zinc/96/76/35/565967635.db2.gz CYIJHTJHIXOODZ-LLVKDONJSA-N 1 0 381.274 2.698 20 0 GFADRO COc1ccccc1NC(=O)C[C@H](C)[NH2+]Cc1c(Br)cnn1C ZINC000631682959 565967732 /nfs/dbraw/zinc/96/77/32/565967732.db2.gz CYIJHTJHIXOODZ-NSHDSACASA-N 1 0 381.274 2.698 20 0 GFADRO C[C@H](CNS(=O)(=O)C[C@@H]1CCC(F)(F)C1)N1CCc2sccc2C1 ZINC000631726659 565970288 /nfs/dbraw/zinc/97/02/88/565970288.db2.gz GBXYZWFQGKLZGU-CHWSQXEVSA-N 1 0 378.510 2.850 20 0 GFADRO Cc1c(Br)csc1C(=O)NCC1(O)CC[NH+](C(C)C)CC1 ZINC000631803235 565976233 /nfs/dbraw/zinc/97/62/33/565976233.db2.gz QNPDMRXYFSRJEM-UHFFFAOYSA-N 1 0 375.332 2.784 20 0 GFADRO CC(C)[NH2+]C1(CO)CCN(Cc2nc3cc(Br)ccc3[nH]2)CC1 ZINC000653727679 565980532 /nfs/dbraw/zinc/98/05/32/565980532.db2.gz RKXOVVGLYOBYHK-UHFFFAOYSA-N 1 0 381.318 2.650 20 0 GFADRO COCCSc1ccc([C@H](C)NS(=O)(=O)CCC[NH+]2CCCC2)cc1 ZINC000631899269 565982186 /nfs/dbraw/zinc/98/21/86/565982186.db2.gz JTVSQSRYQFSHFF-INIZCTEOSA-N 1 0 386.583 2.891 20 0 GFADRO COCC[C@@H](Cc1cccc(Br)c1)C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000607339728 565982415 /nfs/dbraw/zinc/98/24/15/565982415.db2.gz QJCYTMZFJYZOOO-RDJZCZTQSA-N 1 0 383.330 2.855 20 0 GFADRO Cn1cc(Br)cc1C(=O)Nc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000677839179 565984218 /nfs/dbraw/zinc/98/42/18/565984218.db2.gz QPYWVWVWHBYSHL-UHFFFAOYSA-N 1 0 392.297 2.997 20 0 GFADRO CC[C@@H](C[NH+]1CCCC1)NS(=O)(=O)c1cc(C)ccc1Br ZINC000677960824 565990100 /nfs/dbraw/zinc/99/01/00/565990100.db2.gz QACAEHUSVCRNOH-ZDUSSCGKSA-N 1 0 375.332 2.910 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)Cc2ncsc2Br)C[C@H]1C ZINC000632018712 565991852 /nfs/dbraw/zinc/99/18/52/565991852.db2.gz HWRBRKXRPVLXFX-MNOVXSKESA-N 1 0 396.376 2.540 20 0 GFADRO C[C@@H](C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1)c1ccc(Br)cc1 ZINC000678048639 565996191 /nfs/dbraw/zinc/99/61/91/565996191.db2.gz XYLAJROVOKNCSC-DYVFJYSZSA-N 1 0 381.314 2.922 20 0 GFADRO O=C(Nc1nc2cc(Br)ccn2n1)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000654107337 565998449 /nfs/dbraw/zinc/99/84/49/565998449.db2.gz ZJQMQMLDMBHQFF-STQMWFEESA-N 1 0 393.289 2.630 20 0 GFADRO C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CC(=O)NC1CCCC1 ZINC000678585430 566013862 /nfs/dbraw/zinc/01/38/62/566013862.db2.gz VUUKNDXMQUGKCD-LBPRGKRZSA-N 1 0 382.302 2.815 20 0 GFADRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)N2CCO[C@@H](c3ccc(Br)cc3)C2)C1 ZINC000654658611 566018618 /nfs/dbraw/zinc/01/86/18/566018618.db2.gz SDDOUDNPIHKQOB-XOKHGSTOSA-N 1 0 396.329 2.872 20 0 GFADRO C[C@@H](CNC(=O)N[C@H]1CC[N@@H+](C2CC2)C1)Oc1cccc(Br)c1 ZINC000608685138 566021213 /nfs/dbraw/zinc/02/12/13/566021213.db2.gz ZNVWNGPKXMYOJY-JSGCOSHPSA-N 1 0 382.302 2.752 20 0 GFADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc4cncc(Br)c4n3)[C@@H]2C1 ZINC000632337391 566022556 /nfs/dbraw/zinc/02/25/56/566022556.db2.gz NVZPYTNACPJPMK-IAQYHMDHSA-N 1 0 375.270 2.559 20 0 GFADRO CC(C)C([NH2+]CC(=O)NCC(=O)Nc1ccccc1Br)C(C)C ZINC000678902111 566024190 /nfs/dbraw/zinc/02/41/90/566024190.db2.gz UXWIKWPLDHCQBQ-UHFFFAOYSA-N 1 0 384.318 2.774 20 0 GFADRO C[C@H](NC(=O)c1ccc2cncc(Br)c2n1)C1=CC[N@H+](C)CC1 ZINC000632367808 566025958 /nfs/dbraw/zinc/02/59/58/566025958.db2.gz WRKNDBFNRQKAST-NSHDSACASA-N 1 0 375.270 2.773 20 0 GFADRO CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cc(OC)ccc1Br ZINC000632408130 566029867 /nfs/dbraw/zinc/02/98/67/566029867.db2.gz UKKZIXZFBFGZIJ-UHFFFAOYSA-N 1 0 391.331 2.563 20 0 GFADRO O=C(Nc1cccc(Br)c1)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000654945916 566031098 /nfs/dbraw/zinc/03/10/98/566031098.db2.gz HEUNPLQWWHSQBO-CABCVRRESA-N 1 0 380.286 2.521 20 0 GFADRO O=C(Nc1c(F)cccc1Br)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000654946446 566031950 /nfs/dbraw/zinc/03/19/50/566031950.db2.gz KAYFIZSBZHOWDA-ZIAGYGMSSA-N 1 0 398.276 2.660 20 0 GFADRO Cc1cc(Br)cc(NC(=O)C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)c1 ZINC000654948938 566032115 /nfs/dbraw/zinc/03/21/15/566032115.db2.gz JNKJRMNEXDBMDW-HOTGVXAUSA-N 1 0 394.313 2.829 20 0 GFADRO Cc1cc(CNC(=O)NCC(C)(C)N2CC[NH+](C)CC2)ccc1Br ZINC000654994880 566034099 /nfs/dbraw/zinc/03/40/99/566034099.db2.gz JGEJBVQOFMYHNW-UHFFFAOYSA-N 1 0 397.361 2.583 20 0 GFADRO O[C@H](CN[C@H](c1ccc(Br)cc1)[C@H]1CCCO1)C[NH+]1CCCC1 ZINC000679338933 566037622 /nfs/dbraw/zinc/03/76/22/566037622.db2.gz KJGLPMKTLMCOPY-KZNAEPCWSA-N 1 0 383.330 2.716 20 0 GFADRO C[N@@H+]1CCC[C@@H](CCNC(=O)NCc2cc3c(c(Br)c2)OCO3)C1 ZINC000655166121 566042251 /nfs/dbraw/zinc/04/22/51/566042251.db2.gz FSBVNVOBTREDSF-LBPRGKRZSA-N 1 0 398.301 2.709 20 0 GFADRO COC(=O)[C@@H]1CC12CC[NH+](Cc1cn3cc(Br)ccc3n1)CC2 ZINC000609614209 566046562 /nfs/dbraw/zinc/04/65/62/566046562.db2.gz DJBZOJVFERVBJZ-AWEZNQCLSA-N 1 0 378.270 2.872 20 0 GFADRO C[C@@H](CNC(=O)c1cc(I)c[nH]1)[N@@H+]1CCCC[C@@H]1C ZINC000609659764 566049565 /nfs/dbraw/zinc/04/95/65/566049565.db2.gz VPHBIMDWCJBKLS-QWRGUYRKSA-N 1 0 375.254 2.612 20 0 GFADRO O=S(=O)(C1CC1)N1CCC([NH2+]Cc2c(Cl)ccc3cccnc32)CC1 ZINC000679718857 566050356 /nfs/dbraw/zinc/05/03/56/566050356.db2.gz DHHSOUHQKBIXHF-UHFFFAOYSA-N 1 0 379.913 2.934 20 0 GFADRO CCC1([NH+](C)C)CCN(S(=O)(=O)N(C)Cc2c(F)cccc2Cl)CC1 ZINC000632658935 566055673 /nfs/dbraw/zinc/05/56/73/566055673.db2.gz NZIYEMNBAXOCRT-UHFFFAOYSA-N 1 0 391.940 2.962 20 0 GFADRO O=C([C@H]1C[C@@]12CCC[NH2+]C2)N1CCN(Cc2ccc(Br)s2)CC1 ZINC000655442863 566056914 /nfs/dbraw/zinc/05/69/14/566056914.db2.gz DKTOETDDPNWNQC-RHSMWYFYSA-N 1 0 398.370 2.545 20 0 GFADRO CC[N@@H+]1CCC[C@@H](CNS(=O)(=O)Cc2cccc(Br)c2C)C1 ZINC000655492900 566059521 /nfs/dbraw/zinc/05/95/21/566059521.db2.gz HQCHAXVIBGYPAE-AWEZNQCLSA-N 1 0 389.359 2.909 20 0 GFADRO [NH3+]C1(C(=O)N2CCOc3cccc(Br)c3C2)Cc2ccccc2C1 ZINC000655504055 566061189 /nfs/dbraw/zinc/06/11/89/566061189.db2.gz LBTARGVUGURWLK-UHFFFAOYSA-N 1 0 387.277 2.666 20 0 GFADRO Cc1c(Br)cccc1CS(=O)(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000655503893 566061353 /nfs/dbraw/zinc/06/13/53/566061353.db2.gz LKDZCCREEGLAHK-CQSZACIVSA-N 1 0 375.332 2.613 20 0 GFADRO Cc1cc(C(=O)N[C@@H](C[NH3+])C(F)(F)F)nn1-c1ccc(Br)cc1 ZINC000655513561 566062599 /nfs/dbraw/zinc/06/25/99/566062599.db2.gz ZGDQYQMXJHFPML-LBPRGKRZSA-N 1 0 391.191 2.563 20 0 GFADRO Cc1csc(-c2ccc(S(=O)(=O)N[C@H]3C[N@H+](C4CC4)C[C@@H]3C)cc2)n1 ZINC000655537788 566064922 /nfs/dbraw/zinc/06/49/22/566064922.db2.gz XQGBCHGQDCWQHF-SJCJKPOMSA-N 1 0 377.535 2.880 20 0 GFADRO [NH3+]C[C@H]1Cc2ccccc2N(C(=O)COc2ccccc2Br)C1 ZINC000632867724 566072005 /nfs/dbraw/zinc/07/20/05/566072005.db2.gz GOEWEEPFNZVLII-CYBMUJFWSA-N 1 0 375.266 2.992 20 0 GFADRO Cc1cc(S(=O)(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)c(C)cc1Br ZINC000655633110 566075728 /nfs/dbraw/zinc/07/57/28/566075728.db2.gz BEWLMBSWHOWUPI-BETUJISGSA-N 1 0 375.332 2.684 20 0 GFADRO O=C(Nc1nc2c(cccc2Br)s1)N1CCC([NH2+]CCO)CC1 ZINC000632945130 566076164 /nfs/dbraw/zinc/07/61/64/566076164.db2.gz CBOPBMWNQOUHLM-UHFFFAOYSA-N 1 0 399.314 2.637 20 0 GFADRO COc1cc(OC)c(S(=O)(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1Cl ZINC000655668910 566079885 /nfs/dbraw/zinc/07/98/85/566079885.db2.gz VJBDWEMWXNQNSA-KBPBESRZSA-N 1 0 388.917 2.652 20 0 GFADRO O=S(=O)(N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccc(OC(F)F)c(F)c1 ZINC000655668894 566079919 /nfs/dbraw/zinc/07/99/19/566079919.db2.gz UYSVYCBMURUTQY-KGLIPLIRSA-N 1 0 378.416 2.722 20 0 GFADRO CC(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1Cl ZINC000655668775 566080749 /nfs/dbraw/zinc/08/07/49/566080749.db2.gz IWXWHQHZQXTQHY-IAGOWNOFSA-N 1 0 385.917 2.594 20 0 GFADRO O=C(NCCC[NH2+][C@@H]1CCCn2ccnc21)c1ccc(Br)cc1 ZINC000655705017 566082831 /nfs/dbraw/zinc/08/28/31/566082831.db2.gz UBKQYCYVXFYELA-OAHLLOKOSA-N 1 0 377.286 2.890 20 0 GFADRO Fc1cc2ncnc(N3CC[NH+](C[C@H]4CCCO4)CC3)c2cc1Br ZINC000680827025 566082951 /nfs/dbraw/zinc/08/29/51/566082951.db2.gz AUTKKMQCEZMEIY-GFCCVEGCSA-N 1 0 395.276 2.832 20 0 GFADRO Cc1nn(-c2cccc(Br)c2)cc1C[NH2+]CCN1CCO[C@@H](C)C1 ZINC000655729061 566083835 /nfs/dbraw/zinc/08/38/35/566083835.db2.gz DNRMXOOBXUGNHC-AWEZNQCLSA-N 1 0 393.329 2.754 20 0 GFADRO C[NH+]1CCC2(CCN(C(=O)c3ccc4cncc(Br)c4n3)C2)CC1 ZINC000633126828 566085189 /nfs/dbraw/zinc/08/51/89/566085189.db2.gz VMUOZPNYGRCDBF-UHFFFAOYSA-N 1 0 389.297 2.950 20 0 GFADRO Cc1nn(-c2cccc(Br)c2)cc1C[NH2+]C[C@@H]1CCCS1(=O)=O ZINC000655747200 566085851 /nfs/dbraw/zinc/08/58/51/566085851.db2.gz BQUINWCSNCDUMD-INIZCTEOSA-N 1 0 398.326 2.610 20 0 GFADRO Cc1cc(C)c(Br)c(C(=O)NCCCN2CCC[N@@H+](C)CC2)c1 ZINC000680869576 566086791 /nfs/dbraw/zinc/08/67/91/566086791.db2.gz VLAGUKOMGKCCDY-UHFFFAOYSA-N 1 0 382.346 2.823 20 0 GFADRO CO[C@]1(C[NH2+]Cc2cn(-c3cccc(Br)c3)nc2C)CCOC1 ZINC000655759993 566087071 /nfs/dbraw/zinc/08/70/71/566087071.db2.gz JSFLVXOZTGIVAV-KRWDZBQOSA-N 1 0 380.286 2.838 20 0 GFADRO Cc1n[nH]c(CC[NH2+]Cc2cn(-c3cccc(Br)c3)nc2C)n1 ZINC000655757474 566087145 /nfs/dbraw/zinc/08/71/45/566087145.db2.gz UBJQUJZRLDIDLO-UHFFFAOYSA-N 1 0 375.274 2.702 20 0 GFADRO Cc1nn(-c2cccc(Br)c2)cc1C[NH2+]CC1(S(C)(=O)=O)CC1 ZINC000655769115 566088153 /nfs/dbraw/zinc/08/81/53/566088153.db2.gz VSQXZZYJRFHTAL-UHFFFAOYSA-N 1 0 398.326 2.610 20 0 GFADRO Cc1nn(-c2ccccc2Br)cc1C[NH2+]C[C@]1(O)CCO[C@H]1C ZINC000655768681 566089180 /nfs/dbraw/zinc/08/91/80/566089180.db2.gz MCFZPVWKKLUJOZ-SUMWQHHRSA-N 1 0 380.286 2.573 20 0 GFADRO CCNC(=O)C(C)(C)[NH2+]Cc1cn(-c2cccc(Br)c2)nc1C ZINC000655792824 566089614 /nfs/dbraw/zinc/08/96/14/566089614.db2.gz QKGWCHJNRBIPRH-UHFFFAOYSA-N 1 0 379.302 2.948 20 0 GFADRO C[C@@H](c1ccccc1)[C@H](CO)[NH2+]CC(=O)Nc1ccc(Br)cn1 ZINC000680988411 566090049 /nfs/dbraw/zinc/09/00/49/566090049.db2.gz AYDDNJIXZZHTQK-WFASDCNBSA-N 1 0 378.270 2.537 20 0 GFADRO CCCOc1c(Br)cc(C[NH2+]C[C@](C)(CO)OC)cc1OC ZINC000655810233 566090405 /nfs/dbraw/zinc/09/04/05/566090405.db2.gz IZEAQBDWJBUHFI-MRXNPFEDSA-N 1 0 376.291 2.734 20 0 GFADRO O=C(N[C@@H]1CCC[N@@H+](CCCO)C1)c1oc2ccccc2c1Br ZINC000633255820 566091941 /nfs/dbraw/zinc/09/19/41/566091941.db2.gz DQJWJIWMJPLXCP-GFCCVEGCSA-N 1 0 381.270 2.772 20 0 GFADRO C[NH+](C)CCOCCNC(=O)Nc1cc(Br)c(F)cc1Cl ZINC000681177959 566096998 /nfs/dbraw/zinc/09/69/98/566096998.db2.gz AFVXYZNVCGYKRE-UHFFFAOYSA-N 1 0 382.661 2.941 20 0 GFADRO Cc1csc(-c2ccc(S(=O)(=O)N3CCC[C@]4(CC[NH2+]C4)C3)cc2)n1 ZINC000655952263 566098981 /nfs/dbraw/zinc/09/89/81/566098981.db2.gz LYANYGNGMXKUSV-GOSISDBHSA-N 1 0 377.535 2.883 20 0 GFADRO O=C(NCCC[C@H]1CCC[NH2+]1)N1CCOc2cccc(Br)c2C1 ZINC000655969333 566099775 /nfs/dbraw/zinc/09/97/75/566099775.db2.gz HIIIEHJAZQOBSB-CYBMUJFWSA-N 1 0 382.302 2.885 20 0 GFADRO C[C@H](NC(=O)N1CCOc2cccc(Br)c2C1)[C@@H]1CCC[NH2+]C1 ZINC000655962562 566099936 /nfs/dbraw/zinc/09/99/36/566099936.db2.gz OQSGNPBZZUIULE-QWHCGFSZSA-N 1 0 382.302 2.741 20 0 GFADRO [NH3+]C[C@H]1CCCC[C@H]1NC(=O)N1CCOc2cccc(Br)c2C1 ZINC000655963265 566100207 /nfs/dbraw/zinc/10/02/07/566100207.db2.gz MXGYBKBSDKXGDC-IUODEOHRSA-N 1 0 382.302 2.871 20 0 GFADRO CN(C(=O)c1cnn(CC[NH+](C)C)c1)[C@H](CO)c1cccc(Cl)c1Cl ZINC000633626412 566112577 /nfs/dbraw/zinc/11/25/77/566112577.db2.gz QISGWGTVCRDXNU-OAHLLOKOSA-N 1 0 385.295 2.557 20 0 GFADRO Cc1nn(-c2ccccc2Br)cc1C[N@@H+](CCO)[C@@H]1CCO[C@H]1C ZINC000656262924 566120828 /nfs/dbraw/zinc/12/08/28/566120828.db2.gz VKEMQYHXBWDODU-WMLDXEAASA-N 1 0 394.313 2.915 20 0 GFADRO C[NH+](C)Cc1ccc(C(=O)N[C@@H]2[C@@H]3Cc4c(cccc4Br)[C@@H]32)cn1 ZINC000633781861 566124725 /nfs/dbraw/zinc/12/47/25/566124725.db2.gz LQTLOSPQHFRAAL-BPQIPLTHSA-N 1 0 386.293 2.974 20 0 GFADRO CCOc1cc(CN2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)cc(Br)c1O ZINC000656432629 566126294 /nfs/dbraw/zinc/12/62/94/566126294.db2.gz YKRGXFRHZUWYJF-HOTGVXAUSA-N 1 0 399.329 2.584 20 0 GFADRO CC[C@H]([NH2+]C[C@@H](C)S(C)(=O)=O)c1ccc(I)cc1 ZINC000611337515 566126273 /nfs/dbraw/zinc/12/62/73/566126273.db2.gz XHAWVCVEHHBWOQ-MFKMUULPSA-N 1 0 381.279 2.765 20 0 GFADRO Cn1ncc(Br)c1CNC(=O)[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000633979160 566133931 /nfs/dbraw/zinc/13/39/31/566133931.db2.gz OFYSWOBYUYBNSM-HNNXBMFYSA-N 1 0 391.313 2.678 20 0 GFADRO C[C@H](CC(=O)N1CC[N@H+](CCO)C(C)(C)C1)c1ccc(Br)cc1 ZINC000682006174 566139481 /nfs/dbraw/zinc/13/94/81/566139481.db2.gz HFNYXNFUEMMNNK-CQSZACIVSA-N 1 0 383.330 2.858 20 0 GFADRO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N1CC[C@@H]1c1ccc(Br)cc1 ZINC000611848743 566143349 /nfs/dbraw/zinc/14/33/49/566143349.db2.gz GZULCNSBFKZZSJ-CZUORRHYSA-N 1 0 396.329 2.569 20 0 GFADRO C[NH+](C)C1(CNC(=O)c2cc(=O)[nH]c3c(Br)cccc23)CCC1 ZINC000682168869 566145070 /nfs/dbraw/zinc/14/50/70/566145070.db2.gz SHSACRTWDVOQMX-UHFFFAOYSA-N 1 0 378.270 2.917 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)C(=O)N[C@@H](C)C1CC[NH+](C)CC1 ZINC000682196094 566146937 /nfs/dbraw/zinc/14/69/37/566146937.db2.gz MLAUSMFNZCZTJJ-LBPRGKRZSA-N 1 0 396.329 2.797 20 0 GFADRO CC(C)[N@@H+]1CCC[C@H](NS(=O)(=O)Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000682256184 566147852 /nfs/dbraw/zinc/14/78/52/566147852.db2.gz YGLCWCDUACTLGZ-AWEZNQCLSA-N 1 0 380.432 2.877 20 0 GFADRO COC1CC[NH+](CCNC(=O)NCc2cc(Br)ccc2C)CC1 ZINC000682243037 566148387 /nfs/dbraw/zinc/14/83/87/566148387.db2.gz KBXAZABYLBEMTM-UHFFFAOYSA-N 1 0 384.318 2.668 20 0 GFADRO O=C(NCCCN1CC[NH2+]CC1)N1CCC[C@H]1c1ccccc1Br ZINC000634217415 566149422 /nfs/dbraw/zinc/14/94/22/566149422.db2.gz XCBCYBDAFWKGHH-KRWDZBQOSA-N 1 0 395.345 2.591 20 0 GFADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)Nc1cc(F)ccc1Br ZINC000682271470 566149467 /nfs/dbraw/zinc/14/94/67/566149467.db2.gz AFWBSCQASAEGHU-LBPRGKRZSA-N 1 0 386.265 2.517 20 0 GFADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)Nc1ccc(C)cc1Br ZINC000682274125 566149616 /nfs/dbraw/zinc/14/96/16/566149616.db2.gz OQTLPUTWSWXREY-ZDUSSCGKSA-N 1 0 382.302 2.687 20 0 GFADRO CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)Nc2ccc(Br)c(F)c2)C1 ZINC000682351554 566150756 /nfs/dbraw/zinc/15/07/56/566150756.db2.gz AGCLWLSIJLOLRX-LBPRGKRZSA-N 1 0 386.265 2.516 20 0 GFADRO O=S(=O)(c1cnccc1C(F)(F)F)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000682367906 566151028 /nfs/dbraw/zinc/15/10/28/566151028.db2.gz DKIMUURECUMHAD-ZDUSSCGKSA-N 1 0 377.432 2.739 20 0 GFADRO CSc1ccc(Cl)c(NCC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)c1 ZINC000656658873 566153253 /nfs/dbraw/zinc/15/32/53/566153253.db2.gz OIAQHGLJOJEHNE-CQSZACIVSA-N 1 0 385.961 2.947 20 0 GFADRO Cn1ncc(C2CC2)c1C[NH2+]C[C@@H](O)COc1ccc(Br)cc1 ZINC000656711215 566156318 /nfs/dbraw/zinc/15/63/18/566156318.db2.gz RLDMUSFCICRJQD-CQSZACIVSA-N 1 0 380.286 2.590 20 0 GFADRO CN(C)c1cc[nH+]c(NC(=O)Cc2ccccc2I)c1 ZINC000612346541 566158679 /nfs/dbraw/zinc/15/86/79/566158679.db2.gz VWLBHHFLNKLRAE-UHFFFAOYSA-N 1 0 381.217 2.933 20 0 GFADRO C[NH+]1CCC2(CC1)CC(=O)NN(c1ccc(Br)cc1Cl)C2=O ZINC000634601301 566160258 /nfs/dbraw/zinc/16/02/58/566160258.db2.gz ICEJNPZVPIIEIP-UHFFFAOYSA-N 1 0 386.677 2.582 20 0 GFADRO COc1cc(Br)ccc1[C@@H](C)[NH2+]CC(=O)N1CCOC[C@H]1C1CC1 ZINC000682540249 566161600 /nfs/dbraw/zinc/16/16/00/566161600.db2.gz LXEURCRQUAUIEE-WBMJQRKESA-N 1 0 397.313 2.746 20 0 GFADRO CN(Cc1ccc(Cl)s1)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000612439316 566162328 /nfs/dbraw/zinc/16/23/28/566162328.db2.gz GRTVEFPJIXBOMI-ZDUSSCGKSA-N 1 0 383.945 2.883 20 0 GFADRO CC(C)OCC[NH+]1CCN(C[C@@H](O)COc2cc(Cl)cc(Cl)c2)CC1 ZINC000634645380 566163142 /nfs/dbraw/zinc/16/31/42/566163142.db2.gz MLTSCHPFJUWUGD-QGZVFWFLSA-N 1 0 391.339 2.776 20 0 GFADRO O[C@H](C[NH2+]CCCOC1CCOCC1)COc1cc(Cl)cc(Cl)c1 ZINC000634705686 566170529 /nfs/dbraw/zinc/17/05/29/566170529.db2.gz DUHUSJRXMQJJSY-OAHLLOKOSA-N 1 0 378.296 2.908 20 0 GFADRO COCC[C@@H]([NH2+]C[C@H](O)CC1(O)CCOCC1)c1ccc(Cl)c(Cl)c1 ZINC000634714030 566171542 /nfs/dbraw/zinc/17/15/42/566171542.db2.gz FFUKUSBJJQVDPL-RHSMWYFYSA-N 1 0 392.323 2.953 20 0 GFADRO CS(=O)(=O)CC1(C[NH2+]C[C@@H](O)COc2cc(Cl)cc(Cl)c2)CCC1 ZINC000634716890 566171868 /nfs/dbraw/zinc/17/18/68/566171868.db2.gz BASCBBSYHZQGCJ-CQSZACIVSA-N 1 0 396.336 2.538 20 0 GFADRO CC(C)[NH+]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC2CC2)CC1 ZINC000612744651 566172664 /nfs/dbraw/zinc/17/26/64/566172664.db2.gz DINBPXWBYMGKFS-UHFFFAOYSA-N 1 0 393.333 2.976 20 0 GFADRO O[C@H](C[NH2+]C[C@@H](n1cncn1)C(F)(F)F)COc1ccc(Cl)cc1Cl ZINC000634725766 566173604 /nfs/dbraw/zinc/17/36/04/566173604.db2.gz CLYLONVLADRJLI-ZWNOBZJWSA-N 1 0 399.200 2.718 20 0 GFADRO C[C@]1(NC(=O)NCC2(c3cccc(Br)c3)CCOCC2)CC[NH2+]C1 ZINC000612872383 566177805 /nfs/dbraw/zinc/17/78/05/566177805.db2.gz IMRFAJRWWUNCNU-KRWDZBQOSA-N 1 0 396.329 2.549 20 0 GFADRO O=S1(=O)CCC(O)(C[NH2+]C2(c3cc(C(F)(F)F)ccc3Cl)CC2)CC1 ZINC000683044565 566182288 /nfs/dbraw/zinc/18/22/88/566182288.db2.gz YRGSASMHPSLQDO-UHFFFAOYSA-N 1 0 397.846 2.877 20 0 GFADRO Cn1c(=O)oc2ccc(C[NH2+][C@](C)(CO)c3ccc(Br)cc3)cc21 ZINC000634980701 566188516 /nfs/dbraw/zinc/18/85/16/566188516.db2.gz LMWTXPYCHALDLO-GOSISDBHSA-N 1 0 391.265 2.891 20 0 GFADRO C[N@H+](Cc1ccccc1)[C@H]1CCN(c2ncc(I)cn2)C1 ZINC000613281190 566193016 /nfs/dbraw/zinc/19/30/16/566193016.db2.gz GCBVJOHVWQVROL-HNNXBMFYSA-N 1 0 394.260 2.792 20 0 GFADRO Brc1ccc2nc(C[NH2+][C@H]3CCCC[C@@H]3N3CCOCC3)cn2c1 ZINC000683523123 566203023 /nfs/dbraw/zinc/20/30/23/566203023.db2.gz BRCWXLLROQVRIJ-IRXDYDNUSA-N 1 0 393.329 2.830 20 0 GFADRO C[NH+]1CCN(c2ccc(Br)cc2NC(=O)c2nccs2)CC1 ZINC000683618370 566205776 /nfs/dbraw/zinc/20/57/76/566205776.db2.gz ZPPBSFBURXNTKK-UHFFFAOYSA-N 1 0 381.299 2.910 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@@H](CNS(=O)(=O)c2cc3c(cc2Cl)OCCO3)C1 ZINC000657034380 566209156 /nfs/dbraw/zinc/20/91/56/566209156.db2.gz PLCVSXSTHBSUSB-LBPRGKRZSA-N 1 0 388.917 2.510 20 0 GFADRO C[N@H+](CCn1cc(Br)c2ncncc2c1=O)Cc1ccc(F)cc1 ZINC000683736380 566211245 /nfs/dbraw/zinc/21/12/45/566211245.db2.gz KIEAGFIVRYJJFP-UHFFFAOYSA-N 1 0 391.244 2.825 20 0 GFADRO O=C1CSc2ncnc(NC[C@@H]3CCC[N@H+](Cc4cccs4)C3)c2N1 ZINC000683748219 566212539 /nfs/dbraw/zinc/21/25/39/566212539.db2.gz BAJMHHYTGHFKCF-LBPRGKRZSA-N 1 0 375.523 2.906 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CNC(=O)[C@H]1CC[N@@H+]1C1CCCC1 ZINC000635462276 566214411 /nfs/dbraw/zinc/21/44/11/566214411.db2.gz OOGFNAUDJGKGHC-MRXNPFEDSA-N 1 0 394.313 2.829 20 0 GFADRO CC(=O)Nc1cc(F)c(S(=O)(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)cc1Cl ZINC000657060072 566214968 /nfs/dbraw/zinc/21/49/68/566214968.db2.gz CTUYFJVSEPQYMJ-LLVKDONJSA-N 1 0 391.896 2.589 20 0 GFADRO Cc1sc(Br)cc1S(=O)(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000657063591 566216223 /nfs/dbraw/zinc/21/62/23/566216223.db2.gz ZQXGQFIYGCPDFJ-SNVBAGLBSA-N 1 0 381.361 2.970 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+]C[C@H]1CCCC(=O)N1 ZINC000683933147 566219552 /nfs/dbraw/zinc/21/95/52/566219552.db2.gz POLMMIOYNCWMPO-OAHLLOKOSA-N 1 0 377.286 2.702 20 0 GFADRO CC[NH+](CC)CCCN(Cc1ccc(Cl)cc1)S(=O)(=O)c1c[nH]cn1 ZINC000657122037 566226764 /nfs/dbraw/zinc/22/67/64/566226764.db2.gz FKFACRGSBRGBNR-UHFFFAOYSA-N 1 0 384.933 2.986 20 0 GFADRO C[C@@H](C(=O)N[C@H](CO)c1ccc(Br)cc1C(F)(F)F)[NH+](C)C ZINC000684527856 566237529 /nfs/dbraw/zinc/23/75/29/566237529.db2.gz CPWLPJTZWXSJSU-QPUJVOFHSA-N 1 0 383.208 2.568 20 0 GFADRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)c1c(C)oc(-n2cccc2)c1-c1nn[nH]n1 ZINC000736399923 598825804 /nfs/dbraw/zinc/82/58/04/598825804.db2.gz LZOSMETYOFBDGK-HNNXBMFYSA-N 1 0 397.483 2.553 20 0 GFADRO OCC[N@H+](CCOc1cccc(-c2nn[nH]n2)c1)[C@@H]1CCCc2ccccc21 ZINC000738394039 598897790 /nfs/dbraw/zinc/89/77/90/598897790.db2.gz NZPSRZRXVTUEPH-HXUWFJFHSA-N 1 0 379.464 2.617 20 0 GFADRO OCC[N@H+](CCOc1cccc(-c2nn[nH]n2)c1)[C@H]1CCCc2ccccc21 ZINC000738394034 598898048 /nfs/dbraw/zinc/89/80/48/598898048.db2.gz NZPSRZRXVTUEPH-FQEVSTJZSA-N 1 0 379.464 2.617 20 0 GFADRO CC[C@@H]([NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1ccc(Cl)s1 ZINC000736368844 598920150 /nfs/dbraw/zinc/92/01/50/598920150.db2.gz FQBSBUZEANYTHK-GXSJLCMTSA-N 1 0 378.893 2.561 20 0 GFADRO C[N@@H+]1CCCN(C(=O)c2ccc(Oc3cccc(F)c3-c3nn[nH]n3)cc2)CC1 ZINC000736860755 598931109 /nfs/dbraw/zinc/93/11/09/598931109.db2.gz VHVMPCOOUKTZNE-UHFFFAOYSA-N 1 0 396.426 2.576 20 0 GFADRO CCO[C@H]1C[C@@H]([N@H+](C)Cn2ccc(-c3ccc(-c4nn[nH]n4)cc3)n2)C1(C)C ZINC000736608248 598954551 /nfs/dbraw/zinc/95/45/51/598954551.db2.gz BUBSHJUAKHWSRT-MSOLQXFVSA-N 1 0 381.484 2.823 20 0 GFADRO c1ccc2c(c1)nnc(-c1nn[nH]n1)c2NCC1([NH+]2CCSCC2)CCCC1 ZINC000738435931 598959606 /nfs/dbraw/zinc/95/96/06/598959606.db2.gz FNOUOQKNWACWAL-UHFFFAOYSA-N 1 0 396.524 2.583 20 0 GFADRO COc1ccc(C)cc1[C@@H](C)[NH2+][C@H]1CCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000737076341 598959700 /nfs/dbraw/zinc/95/97/00/598959700.db2.gz QGQHHDYPTHSAHJ-KDOFPFPSSA-N 1 0 392.463 2.640 20 0 GFADRO C[C@H]1C[N@H+](Cc2cc(-c3nn[nH]n3)ccc2F)CC[C@H]1NC(=O)OC(C)(C)C ZINC000736288078 598988668 /nfs/dbraw/zinc/98/86/68/598988668.db2.gz QOGXKIWWVCMBSC-BLLLJJGKSA-N 1 0 390.463 2.741 20 0 GFADRO O=C(Nc1ccc(C[NH+]2CCCCCC2)cc1)c1ccc(-c2nn[nH]n2)nc1 ZINC000738159308 599025979 /nfs/dbraw/zinc/02/59/79/599025979.db2.gz NZXUANHNQXIEPR-UHFFFAOYSA-N 1 0 377.452 2.890 20 0 GFADRO C[N@@H+]1CCN(c2nc(C(F)(F)F)ccc2-c2nn[nH]n2)[C@@H](c2ccccc2)C1 ZINC000736867136 599039629 /nfs/dbraw/zinc/03/96/29/599039629.db2.gz JJUZVCWJVPRWFM-CQSZACIVSA-N 1 0 389.385 2.774 20 0 GFADRO O=C(CC[N@@H+]1CC[C@H](Cc2ccccc2)C1)Nc1sccc1-c1nn[nH]n1 ZINC000737838938 599136518 /nfs/dbraw/zinc/13/65/18/599136518.db2.gz PDGIUXGOBNXKCX-OAHLLOKOSA-N 1 0 382.493 2.821 20 0 GFADRO C[C@@H]1C[N@H+](CC(=O)NCc2ccc(-c3nn[nH]n3)cc2)CC[C@@H]1c1ccccc1 ZINC000736284551 599144563 /nfs/dbraw/zinc/14/45/63/599144563.db2.gz AVVJNEZCPURSNF-UZLBHIALSA-N 1 0 390.491 2.609 20 0 GFADRO C[C@H]1CCN(C(=O)c2ccc(-c3nn[nH]n3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000820717607 599217333 /nfs/dbraw/zinc/21/73/33/599217333.db2.gz SXWRLBBCIIHWRP-INIZCTEOSA-N 1 0 376.464 2.603 20 0 GFADRO C[C@H]1C[N@@H+]2CCCC[C@H]2CN1C(=S)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000736295825 599221703 /nfs/dbraw/zinc/22/17/03/599221703.db2.gz YTHAYMKPKGVWPR-AAEUAGOBSA-N 1 0 391.932 2.776 20 0 GFADRO Cc1c(NC(=O)NC[C@@H](C)[N@@H+]2CCc3ccccc3C2)cccc1-c1nn[nH]n1 ZINC000822095690 607284955 /nfs/dbraw/zinc/28/49/55/607284955.db2.gz GSDQMSQYVIKEPU-CQSZACIVSA-N 1 0 391.479 2.743 20 0 GFADRO Cc1ccc([C@@H](CNC(=O)Nc2cccc(-c3nn[nH]n3)c2C)[NH+](C)C)cc1 ZINC000822230998 607289396 /nfs/dbraw/zinc/28/93/96/607289396.db2.gz XJNULIKFONIGGF-GOSISDBHSA-N 1 0 379.468 2.908 20 0 GFADRO CC(C)n1c(Sc2cccc(F)c2-c2nn[nH]n2)nnc1[C@@H]1CCC[NH2+]C1 ZINC000735961927 599265816 /nfs/dbraw/zinc/26/58/16/599265816.db2.gz WZQVAPFYUDBUJW-LLVKDONJSA-N 1 0 388.476 2.796 20 0 GFADRO C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)Nc1ccc(Cl)cc1-c1nn[nH]n1 ZINC000736009597 599267957 /nfs/dbraw/zinc/26/79/57/599267957.db2.gz HPAMEFOACGFYRR-AWEZNQCLSA-N 1 0 398.902 2.538 20 0 GFADRO C[C@@H](CNc1c(-c2nn[nH]n2)cnc2ccccc21)[N@@H+]1CCc2sccc2C1 ZINC000736027169 599269263 /nfs/dbraw/zinc/26/92/63/599269263.db2.gz YVZCJZVPAHEYCQ-ZDUSSCGKSA-N 1 0 391.504 2.757 20 0 GFADRO C[C@@H]1C[C@H](N(C)C(=O)Nc2ccc(-c3nn[nH]n3)c(C(F)(F)F)c2)CC[N@@H+]1C ZINC000820659061 599288271 /nfs/dbraw/zinc/28/82/71/599288271.db2.gz VVHQYFWSRKRCCW-ZYHUDNBSSA-N 1 0 397.405 2.832 20 0 GFADRO C[C@@H](C(=O)Nc1ccccc1-c1nn[nH]n1)[N@@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC000735562168 598251496 /nfs/dbraw/zinc/25/14/96/598251496.db2.gz NZTGVJXJPCCHKX-DZGCQCFKSA-N 1 0 380.427 2.822 20 0 GFADRO C[C@H](C(=O)Nc1ccccc1-c1nn[nH]n1)[N@@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC000735562171 598251508 /nfs/dbraw/zinc/25/15/08/598251508.db2.gz NZTGVJXJPCCHKX-UKRRQHHQSA-N 1 0 380.427 2.822 20 0 GFADRO O=C(CC[N@H+]1CC[C@H](c2cccc(F)c2)C1)Nc1cccc(-c2nn[nH]n2)c1 ZINC000737839893 598252829 /nfs/dbraw/zinc/25/28/29/598252829.db2.gz WLFMTXMENMHQGW-INIZCTEOSA-N 1 0 380.427 2.824 20 0 GFADRO CC(C)[C@H](CNC(=S)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)[NH+]1CCCC1 ZINC000735708204 598318339 /nfs/dbraw/zinc/31/83/39/598318339.db2.gz LLBSPHOEYHJWMZ-HNNXBMFYSA-N 1 0 393.948 2.927 20 0 GFADRO CC(C)C[C@H](C[NH+](C)C)NC(=S)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000735762043 598319302 /nfs/dbraw/zinc/31/93/02/598319302.db2.gz UKQNGUHCQDAUEC-GFCCVEGCSA-N 1 0 381.937 2.783 20 0 GFADRO C[C@H]1CCCC[N@@H+]1CCNC(=S)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000736267923 598320065 /nfs/dbraw/zinc/32/00/65/598320065.db2.gz QPPQWQLVGVZKAQ-NSHDSACASA-N 1 0 379.921 2.681 20 0 GFADRO CC[NH+](CC)[C@H](CNC(=O)NCc1ccc(-c2nn[nH]n2)cc1F)CC(C)C ZINC000736532812 598326027 /nfs/dbraw/zinc/32/60/27/598326027.db2.gz DBYUTGDMUPYLFU-INIZCTEOSA-N 1 0 391.495 2.562 20 0 GFADRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNc2nccnc2-c2nn[nH]n2)C1 ZINC000736227555 598345224 /nfs/dbraw/zinc/34/52/24/598345224.db2.gz LKORNERBJCEJBY-GASCZTMLSA-N 1 0 378.484 2.747 20 0 GFADRO C[C@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CCN1c1nc2ccccc2o1 ZINC000736288782 598364781 /nfs/dbraw/zinc/36/47/81/598364781.db2.gz UHRLUTXBSOIFQL-AWEZNQCLSA-N 1 0 375.436 2.719 20 0 GFADRO C[NH+](C)CCCOc1ccc(NC(=O)C=Cc2ccccc2-c2nn[nH]n2)cc1 ZINC000736767884 598424338 /nfs/dbraw/zinc/42/43/38/598424338.db2.gz SXDJCHQPGXMUHK-MDWZMJQESA-N 1 0 392.463 2.849 20 0 GFADRO CC(C)N(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000736000400 598428159 /nfs/dbraw/zinc/42/81/59/598428159.db2.gz HUMOEEREEKUWJO-MRXNPFEDSA-N 1 0 385.516 2.661 20 0 GFADRO S=C(Nc1ccc(-c2nn[nH]n2)c(Cl)c1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000738400575 598435212 /nfs/dbraw/zinc/43/52/12/598435212.db2.gz GUEKSKYWEVTZDK-CYBMUJFWSA-N 1 0 391.932 2.777 20 0 GFADRO COc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2cccc(-c3nn[nH]n3)c2)cc1F ZINC000737073903 598453680 /nfs/dbraw/zinc/45/36/80/598453680.db2.gz VEOMUAKHBSKWQS-NEPJUHHUSA-N 1 0 384.415 2.692 20 0 GFADRO CC(C)(C)OC(=O)C1CC[NH+](CCCOc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000735622883 598462156 /nfs/dbraw/zinc/46/21/56/598462156.db2.gz APKPHJUDROQBQW-UHFFFAOYSA-N 1 0 387.484 2.689 20 0 GFADRO O=C(NC[C@H]1CC[N@H+](CCc2ccccc2)C1)Nc1cccc(-c2nn[nH]n2)c1 ZINC000738051031 598468386 /nfs/dbraw/zinc/46/83/86/598468386.db2.gz XJBGNTWFHKKUMI-QGZVFWFLSA-N 1 0 391.479 2.553 20 0 GFADRO COc1ccc(C2([NH2+]CCOc3ccccc3-c3nn[nH]n3)CCOCC2)cc1 ZINC000737076744 598487185 /nfs/dbraw/zinc/48/71/85/598487185.db2.gz OOSFINDCPOCPQR-UHFFFAOYSA-N 1 0 395.463 2.550 20 0 GFADRO CC(C)(C)C[C@@H]([NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1ccccc1 ZINC000735593541 598521212 /nfs/dbraw/zinc/52/12/12/598521212.db2.gz JPCITIKPVORSDB-RHSMWYFYSA-N 1 0 380.500 2.872 20 0 GFADRO Cc1c2ccccc2oc1[C@H](C)[NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000737209288 598523775 /nfs/dbraw/zinc/52/37/75/598523775.db2.gz MBYDVTNSXNPZBI-STQMWFEESA-N 1 0 378.440 2.510 20 0 GFADRO C[NH+](C)Cc1ccc(NC(=O)[C@H]2CCCN2c2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000736771494 598580290 /nfs/dbraw/zinc/58/02/90/598580290.db2.gz NRCVPFBIHSIBNQ-LJQANCHMSA-N 1 0 391.479 2.536 20 0 GFADRO O=C1C[C@@H]([NH+]2CCC3(CCCCC3)CC2)C(=O)N1c1ccc(-c2nn[nH]n2)cc1 ZINC000738302415 598618335 /nfs/dbraw/zinc/61/83/35/598618335.db2.gz WILPMPTZWYARMV-QGZVFWFLSA-N 1 0 394.479 2.545 20 0 GFADRO C[C@@H](CNC(=S)Nc1ccccc1-c1nn[nH]n1)[N@H+](C)Cc1ccccc1 ZINC000736025802 598643049 /nfs/dbraw/zinc/64/30/49/598643049.db2.gz NJUGZVQATPUIEC-AWEZNQCLSA-N 1 0 381.509 2.674 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)CSc1ccc(-c2nn[nH]n2)cc1)C1CCCCC1 ZINC000736760267 598666089 /nfs/dbraw/zinc/66/60/89/598666089.db2.gz RBJLTEQYSULUDC-KRWDZBQOSA-N 1 0 388.541 2.586 20 0 GFADRO CC(C)(C)OC(=O)NCC1CC[NH+](Cc2ccc(F)cc2-c2nn[nH]n2)CC1 ZINC000735636072 598683076 /nfs/dbraw/zinc/68/30/76/598683076.db2.gz ODHADBPUTYMBQQ-UHFFFAOYSA-N 1 0 390.463 2.743 20 0 GFADRO O=C(CCCCOc1cccc(-c2nn[nH]n2)c1)N1CC[NH+](C2CCCC2)CC1 ZINC000737833043 598683877 /nfs/dbraw/zinc/68/38/77/598683877.db2.gz NFEDZIXXQICBAI-UHFFFAOYSA-N 1 0 398.511 2.503 20 0 GFADRO C[N@@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)CCCCOc1cccc(-c2nn[nH]n2)c1 ZINC000736860487 598688544 /nfs/dbraw/zinc/68/85/44/598688544.db2.gz RLPGIDPEXZYJSH-RBUKOAKNSA-N 1 0 398.511 2.501 20 0 GFADRO CC[N@@H+]1CCC[C@H](NC(=O)c2cccc(Oc3ccc(-c4nn[nH]n4)cc3)c2)C1 ZINC000736569926 598699997 /nfs/dbraw/zinc/69/99/97/598699997.db2.gz KIOOLYKOUIVSQW-KRWDZBQOSA-N 1 0 392.463 2.873 20 0 GFADRO Cc1nc2c(s1)[C@H]([N@H+](C)CCC(=O)Nc1ccc(-c3nn[nH]n3)cc1)CCC2 ZINC000737486534 598707684 /nfs/dbraw/zinc/70/76/84/598707684.db2.gz CLGKNODAYYJWNC-MRXNPFEDSA-N 1 0 397.508 2.970 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCN(c2ccccc2Cl)C1=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000736135839 598712297 /nfs/dbraw/zinc/71/22/97/598712297.db2.gz YTRDGDMGTDZTKG-BLLLJJGKSA-N 1 0 382.855 2.976 20 0 GFADRO Cc1cc(NC(=O)N(CC[NH+](C)C)Cc2ccc(-c3nn[nH]n3)cc2)ccc1F ZINC000737275074 598718109 /nfs/dbraw/zinc/71/81/09/598718109.db2.gz PGNFVBOMVGRCNA-UHFFFAOYSA-N 1 0 397.458 2.910 20 0 GFADRO Cc1ccccc1CCC(=O)N(CC[NH+](C)C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000737426382 598736893 /nfs/dbraw/zinc/73/68/93/598736893.db2.gz LVFVHGVVPVDPEO-UHFFFAOYSA-N 1 0 392.507 2.698 20 0 GFADRO O[C@@H](C[NH+]1CCC(Oc2ccc(-c3nn[nH]n3)cc2)CC1)c1ccc(F)cc1 ZINC000738379770 598766087 /nfs/dbraw/zinc/76/60/87/598766087.db2.gz CRIAXYJSGKYTDX-IBGZPJMESA-N 1 0 383.427 2.583 20 0 GFADRO CN(CC1CC[NH+](Cc2cccc(-c3nn[nH]n3)c2)CC1)C(=O)OC(C)(C)C ZINC000736793007 598767985 /nfs/dbraw/zinc/76/79/85/598767985.db2.gz VOWMIMBGFWVNPC-UHFFFAOYSA-N 1 0 386.500 2.946 20 0 GFADRO C[C@H](CC[NH+](C)C)NC(=O)c1ccc(Oc2cccc(F)c2-c2nn[nH]n2)cc1 ZINC000735984841 598813218 /nfs/dbraw/zinc/81/32/18/598813218.db2.gz CWFXSYFWGBRQDR-CYBMUJFWSA-N 1 0 398.442 2.868 20 0 GFADRO Cc1cnn(CCCCC[NH+]2CCN(c3ccc(-c4nn[nH]n4)cc3F)CC2)c1 ZINC000737449385 598813293 /nfs/dbraw/zinc/81/32/93/598813293.db2.gz XDXAVLCWDUCLSH-UHFFFAOYSA-N 1 0 398.490 2.503 20 0 GFADRO C[NH+](C)CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)c1coc2ccccc12 ZINC000736766838 598822550 /nfs/dbraw/zinc/82/25/50/598822550.db2.gz FZAMTHNCHZAXDU-UHFFFAOYSA-N 1 0 390.447 2.817 20 0 GFADRO C[C@@H](c1ccc(-c2nn[nH]n2)cc1)[NH+]1CCC(C(=O)N2CCC[C@H](C)C2)CC1 ZINC000736267966 599309848 /nfs/dbraw/zinc/30/98/48/599309848.db2.gz VHSFDYBZMWRDOZ-HOTGVXAUSA-N 1 0 382.512 2.898 20 0 GFADRO C[C@@H]1SCC[N@H+](CCC(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)[C@H]1C ZINC000736301505 599321853 /nfs/dbraw/zinc/32/18/53/599321853.db2.gz NVEUUGIEJUIMAN-QWRGUYRKSA-N 1 0 380.905 2.675 20 0 GFADRO C[C@H](NC(=O)c1ccc(Nc2cc[nH+]cc2)cc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000736124530 599349532 /nfs/dbraw/zinc/34/95/32/599349532.db2.gz UHJBFULQLGHPBA-AWEZNQCLSA-N 1 0 385.431 2.918 20 0 GFADRO CC(C)n1cnnc1[C@H]1CCC[N@H+](Cc2cn3ccccc3c2-c2nn[nH]n2)C1 ZINC000735966832 599356832 /nfs/dbraw/zinc/35/68/32/599356832.db2.gz XITWWQXVRBYEIJ-HNNXBMFYSA-N 1 0 391.483 2.671 20 0 GFADRO C[C@H]([NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1)C(=O)N[C@@H]1CCOc2ccccc21 ZINC000820412166 599391385 /nfs/dbraw/zinc/39/13/85/599391385.db2.gz KPJMWKXMUPCAAB-SUNYJGFJSA-N 1 0 392.463 2.546 20 0 GFADRO COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)[NH2+][C@H](C)c2cccc(-c3nn[nH]n3)c2)c1C ZINC000821667201 599391808 /nfs/dbraw/zinc/39/18/08/599391808.db2.gz ZMABXRQLBJKULK-DGCLKSJQSA-N 1 0 396.451 2.520 20 0 GFADRO C[C@H](NC(=O)NC[C@@H](c1ccsc1)[NH+](C)C)c1cccc(-c2nn[nH]n2)c1 ZINC000820357286 599406601 /nfs/dbraw/zinc/40/66/01/599406601.db2.gz FNLJYJRKXIXUJC-LRDDRELGSA-N 1 0 385.497 2.591 20 0 GFADRO C[C@@H](NC(=O)NCCCC[N@@H+]1CCCC[C@H]1C)c1cccc(-c2nn[nH]n2)c1 ZINC000820367924 599416211 /nfs/dbraw/zinc/41/62/11/599416211.db2.gz VRIIPLHXGJFCLY-HZPDHXFCSA-N 1 0 385.516 2.882 20 0 GFADRO C[C@H](NC(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1cccc(-c2nn[nH]n2)c1 ZINC000820649916 599417332 /nfs/dbraw/zinc/41/73/32/599417332.db2.gz PCZOSGIHQYNLIN-XHSDSOJGSA-N 1 0 385.516 2.595 20 0 GFADRO COc1ccc(C[NH2+][C@H](C)c2cc(OC)c(OC)cc2F)cc1-c1nn[nH]n1 ZINC000821719916 599439457 /nfs/dbraw/zinc/43/94/57/599439457.db2.gz JLCCXJCOUNGXLR-LLVKDONJSA-N 1 0 387.415 2.882 20 0 GFADRO C[C@H]([NH2+]Cc1cccc(OCc2cccc(-c3nn[nH]n3)c2)c1)[C@H]1CCOC1 ZINC000820438427 599449051 /nfs/dbraw/zinc/44/90/51/599449051.db2.gz PGJPLBOJCQVWBL-KXBFYZLASA-N 1 0 379.464 2.960 20 0 GFADRO C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@@H+]1CC(=O)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000736234763 599477595 /nfs/dbraw/zinc/47/75/95/599477595.db2.gz KIWNBGKPQYLDQG-CJNGLKHVSA-N 1 0 380.427 2.822 20 0 GFADRO CC(C)Oc1ccc(CC[NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)cc1 ZINC000735915190 599484154 /nfs/dbraw/zinc/48/41/54/599484154.db2.gz LBWDPLRUMJKKOI-UHFFFAOYSA-N 1 0 377.452 2.634 20 0 GFADRO Cc1ccc([C@@H](O)C[NH+]2CCC(Oc3ccc(-c4nn[nH]n4)cc3)CC2)cc1 ZINC000822230677 599572505 /nfs/dbraw/zinc/57/25/05/599572505.db2.gz NJCDTGGTLGMVCO-FQEVSTJZSA-N 1 0 379.464 2.752 20 0 GFADRO CN(C[C@H]1CCC[N@@H+]1Cc1cc(-c2nn[nH]n2)ccc1F)C(=O)OC(C)(C)C ZINC000821596373 599591517 /nfs/dbraw/zinc/59/15/17/599591517.db2.gz IHPJSFNISODJNC-OAHLLOKOSA-N 1 0 390.463 2.837 20 0 GFADRO COc1ccccc1[C@@H]1CC[N@H+](CCC(=O)Nc2cccc(-c3nn[nH]n3)c2)C1 ZINC000737147088 599591967 /nfs/dbraw/zinc/59/19/67/599591967.db2.gz JUZARZZOJMLUPS-MRXNPFEDSA-N 1 0 392.463 2.693 20 0 GFADRO Cc1ccc([C@@H]2C[C@H](C)CC[N@@H+]2C[C@H](O)COc2ccc(-c3nn[nH]n3)cc2)o1 ZINC000822233524 599592812 /nfs/dbraw/zinc/59/28/12/599592812.db2.gz QQWFOKIIZYHKQA-LJHODMEESA-N 1 0 397.479 2.981 20 0 GFADRO C[C@@H]1CC[N@H+](C[C@H](O)COc2ccc(-c3nn[nH]n3)cc2)[C@H](c2ccco2)C1 ZINC000820723037 599594496 /nfs/dbraw/zinc/59/44/96/599594496.db2.gz UOADFSIROUWWIR-HFTRVMKXSA-N 1 0 383.452 2.673 20 0 GFADRO C[C@H](NC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000736110926 599608567 /nfs/dbraw/zinc/60/85/67/599608567.db2.gz CUWBEVVPFUZTOQ-MAUKXSAKSA-N 1 0 383.500 2.588 20 0 GFADRO C[C@H]1CC[N@H+](CCOc2ccc(NC(=O)c3cccc(-c4nn[nH]n4)c3)cc2)C1 ZINC000820723108 599655041 /nfs/dbraw/zinc/65/50/41/599655041.db2.gz WECWOEKZDIMQRG-HNNXBMFYSA-N 1 0 392.463 2.840 20 0 GFADRO C[C@@H](NC(=O)N1CC[NH+](CCC(C)(C)C)CC1)c1cccc(-c2nn[nH]n2)c1 ZINC000820350280 599679986 /nfs/dbraw/zinc/67/99/86/599679986.db2.gz KEAQUBYYQKYTJO-OAHLLOKOSA-N 1 0 385.516 2.691 20 0 GFADRO CCN(C(=O)CSCC[NH+](CC)CC)[C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000821198777 599692242 /nfs/dbraw/zinc/69/22/42/599692242.db2.gz VWWPEUIERFEQEL-HNNXBMFYSA-N 1 0 390.557 2.851 20 0 GFADRO O=C(NC1(c2cccc(-c3nn[nH]n3)c2)CC1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000826428071 607416879 /nfs/dbraw/zinc/41/68/79/607416879.db2.gz NSSMTFIJKQFTRM-UHFFFAOYSA-N 1 0 388.475 2.882 20 0 GFADRO COc1ccc(-c2nn[nH]n2)cc1C[N@H+](CCO)[C@H]1CCCc2ccccc21 ZINC000826181554 607464575 /nfs/dbraw/zinc/46/45/75/607464575.db2.gz DFSCDBGYSZTWKM-IBGZPJMESA-N 1 0 379.464 2.747 20 0 GFADRO C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@@H+]1Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC000824892391 607474094 /nfs/dbraw/zinc/47/40/94/607474094.db2.gz HROUMVOHKZCOFN-GXTWGEPZSA-N 1 0 390.463 2.883 20 0 GFADRO O[C@H](C[C@@H]1CCC[N@@H+]1CCOc1ccc(-c2nn[nH]n2)cc1)c1ccc(F)cc1 ZINC000826502694 607476242 /nfs/dbraw/zinc/47/62/42/607476242.db2.gz IYTXCSCCYCWDAE-AZUAARDMSA-N 1 0 397.454 2.973 20 0 GFADRO COc1ccc(CN2CCC[N@H+](Cc3ccccc3C)CC2)cc1-c1nn[nH]n1 ZINC000826194747 607482159 /nfs/dbraw/zinc/48/21/59/607482159.db2.gz VKKXJHFHVJJWAL-UHFFFAOYSA-N 1 0 392.507 2.892 20 0 GFADRO COc1ccc(CN2CC[NH+](Cc3ccccc3C)CC2)cc1-c1nn[nH]n1 ZINC000826195200 607477449 /nfs/dbraw/zinc/47/74/49/607477449.db2.gz LCVGVXNRZHLWAW-UHFFFAOYSA-N 1 0 378.480 2.502 20 0 GFADRO Fc1cc(-c2nn[nH]n2)ccc1C[NH2+]CCOc1ccc(C(F)(F)F)cn1 ZINC000822743656 607487830 /nfs/dbraw/zinc/48/78/30/607487830.db2.gz BVMMBCPJOVDNMJ-UHFFFAOYSA-N 1 0 382.321 2.588 20 0 GFADRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N[C@@H](C)c2cccc(-c3nn[nH]n3)c2)C1 ZINC000820093305 607498307 /nfs/dbraw/zinc/49/83/07/607498307.db2.gz VRBKAWRVDRSSTN-JKSUJKDBSA-N 1 0 385.516 2.595 20 0 GFADRO COc1ccc(C[NH2+]Cc2c(F)cccc2N2CCCC2)cc1-c1nn[nH]n1 ZINC000826202798 607567887 /nfs/dbraw/zinc/56/78/87/607567887.db2.gz NIAQTEIYCKMTDL-UHFFFAOYSA-N 1 0 382.443 2.904 20 0 GFADRO COc1ccc(C[NH2+]Cc2cccc(OC)c2OC(C)C)cc1-c1nn[nH]n1 ZINC000826203100 607568195 /nfs/dbraw/zinc/56/81/95/607568195.db2.gz YXNMQVCTIJWVHQ-UHFFFAOYSA-N 1 0 383.452 2.961 20 0 GFADRO CC[N@H+](CC(=O)NCc1cccc(-c2ccc(-c3nn[nH]n3)s2)c1)C1CC1 ZINC000825395181 607570580 /nfs/dbraw/zinc/57/05/80/607570580.db2.gz MAGSXHWUKOHOFW-UHFFFAOYSA-N 1 0 382.493 2.696 20 0 GFADRO Cc1cccc(N2CC[NH+](CCCC[NH2+]C[C@H]3CCCN(C(=O)[O-])C3)CC2)c1 ZINC000740169540 603265697 /nfs/dbraw/zinc/26/56/97/603265697.db2.gz KYTPYLRCUDXUJV-HXUWFJFHSA-N 1 0 388.556 2.877 20 0 GFADRO O=C([O-])Nc1ccc(C[NH2+]CC2CC[NH+](C[C@H](O)c3ccccc3)CC2)cn1 ZINC000832841489 603550753 /nfs/dbraw/zinc/55/07/53/603550753.db2.gz CTMDSRBVFTWACG-IBGZPJMESA-N 1 0 384.480 2.707 20 0 GFADRO COc1ccc(-c2nn[nH]n2)cc1CN1CC[C@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000826182851 607637471 /nfs/dbraw/zinc/63/74/71/607637471.db2.gz WGFDECGEQYFLTC-KRWDZBQOSA-N 1 0 392.507 2.972 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)NC1(c2cccc(-c3nn[nH]n3)c2)CC1)c1cccs1 ZINC000825849401 607645569 /nfs/dbraw/zinc/64/55/69/607645569.db2.gz LEGFNOPKKFWGFQ-HNNXBMFYSA-N 1 0 397.508 2.519 20 0 GFADRO Cc1cc(-c2nn[nH]n2)ccc1C(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000826245267 607676623 /nfs/dbraw/zinc/67/66/23/607676623.db2.gz SLFGWIZNXHSHBC-KRWDZBQOSA-N 1 0 382.512 2.759 20 0 GFADRO Cc1cc(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)cc(C)c1OCC(=O)[O-] ZINC000832882391 604685047 /nfs/dbraw/zinc/68/50/47/604685047.db2.gz FXFMTSFSSWVIFC-UXHICEINSA-N 1 0 390.524 2.624 20 0 GFADRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000824261801 607757324 /nfs/dbraw/zinc/75/73/24/607757324.db2.gz QSEPMCVSJNQKFF-CYBMUJFWSA-N 1 0 377.880 2.762 20 0 GFADRO O=C([O-])N1CCC[C@H]([NH2+]CCCC[NH+]2CCN(Cc3ccccc3)CC2)CC1 ZINC000834101080 606031121 /nfs/dbraw/zinc/03/11/21/606031121.db2.gz RHAVRQLIOFTXGR-NRFANRHFSA-N 1 0 388.556 2.707 20 0 GFADRO CCC(CC)[N@H+](CCOC)CC(=O)Nc1sc(C)c(C)c1-c1nn[nH]n1 ZINC000820897557 606110227 /nfs/dbraw/zinc/11/02/27/606110227.db2.gz JOEBEUCSANQKBD-UHFFFAOYSA-N 1 0 380.518 2.621 20 0 GFADRO Cc1cc(C)c2ncc(-c3nn[nH]n3)c(N3CCC(OCC[NH+](C)C)CC3)c2c1 ZINC000822195131 606163741 /nfs/dbraw/zinc/16/37/41/606163741.db2.gz IFORBKKTHTUQCP-UHFFFAOYSA-N 1 0 395.511 2.579 20 0 GFADRO CCN(C[C@@H]1CC[N@H+](Cc2ccc(F)cc2-c2nn[nH]n2)C1)CC(F)(F)F ZINC000821197926 606191456 /nfs/dbraw/zinc/19/14/56/606191456.db2.gz OWMZKXUKMFMWBC-LBPRGKRZSA-N 1 0 386.397 2.712 20 0 GFADRO COc1cc(NC2CC[NH+](Cc3ccccc3-c3nn[nH]n3)CC2)cc(OC)c1 ZINC000821720551 606195574 /nfs/dbraw/zinc/19/55/74/606195574.db2.gz UWHBXFLUBMPKFG-UHFFFAOYSA-N 1 0 394.479 2.960 20 0 GFADRO Cc1ccccc1[C@@H]([NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1)C(C)(C)C ZINC000822350724 606206194 /nfs/dbraw/zinc/20/61/94/606206194.db2.gz GFTCELNYOHTIHA-WMLDXEAASA-N 1 0 380.500 2.790 20 0 GFADRO CC[NH+]1CCN(c2ccc(NCc3cc(-c4nn[nH]n4)cs3)c(C)c2)CC1 ZINC000821277789 606211448 /nfs/dbraw/zinc/21/14/48/606211448.db2.gz YVOBLESDOHYUGZ-UHFFFAOYSA-N 1 0 383.525 2.991 20 0 GFADRO O[C@H](C[NH2+]Cc1cc(-c2nn[nH]n2)cs1)c1ccc(OC(F)(F)F)cc1 ZINC000823681845 606216475 /nfs/dbraw/zinc/21/64/75/606216475.db2.gz LCMSOGIMWOXIFX-CYBMUJFWSA-N 1 0 385.371 2.650 20 0 GFADRO CC(C)C[C@@H](CNC(=O)c1cc(-c2nn[nH]n2)cn1C)[NH2+][C@@H](C)c1ccccc1 ZINC000820055945 606291323 /nfs/dbraw/zinc/29/13/23/606291323.db2.gz LZIBIMVRGHRTLM-YJBOKZPZSA-N 1 0 395.511 2.701 20 0 GFADRO CCCN(C(=O)c1cc(-c2nn[nH]n2)c[nH]1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000821082082 606318216 /nfs/dbraw/zinc/31/82/16/606318216.db2.gz GKXCYRSZMFAGHJ-GOSISDBHSA-N 1 0 393.495 2.712 20 0 GFADRO Cc1ccc([C@@H](CNC(=O)Nc2ccc(F)cc2-c2nn[nH]n2)[NH+]2CCCC2)o1 ZINC000822230801 606345989 /nfs/dbraw/zinc/34/59/89/606345989.db2.gz QSDDUSQKTQFSBD-MRXNPFEDSA-N 1 0 399.430 2.866 20 0 GFADRO Cc1cccc(CN(CC[NH+](C)C)C(=O)Nc2ccc(F)cc2-c2nn[nH]n2)c1 ZINC000822303552 606351441 /nfs/dbraw/zinc/35/14/41/606351441.db2.gz FICZBIMAPIJNPH-UHFFFAOYSA-N 1 0 397.458 2.910 20 0 GFADRO Fc1ccc(N2CC[C@@H](C[NH2+]Cc3ccc(-c4nn[nH]n4)s3)C2)cc1F ZINC000822778750 606413306 /nfs/dbraw/zinc/41/33/06/606413306.db2.gz NTFDPUNCSPZLQM-NSHDSACASA-N 1 0 376.436 2.823 20 0 GFADRO c1ccc(CCCO[C@@H]2CC[N@H+](CCOc3cccc(-c4nn[nH]n4)c3)C2)cc1 ZINC000823779412 606455834 /nfs/dbraw/zinc/45/58/34/606455834.db2.gz CQDWQFPLDRQJFZ-OAQYLSRUSA-N 1 0 393.491 2.969 20 0 GFADRO c1ccc(CCCO[C@H]2CC[N@H+](CCOc3ccccc3-c3nn[nH]n3)C2)cc1 ZINC000823780743 606456074 /nfs/dbraw/zinc/45/60/74/606456074.db2.gz VFYVWNOAQDZRPB-IBGZPJMESA-N 1 0 393.491 2.969 20 0 GFADRO O=C(NCc1ccccc1C[NH+]1CCCCC1)c1cc(-c2nn[nH]n2)cs1 ZINC000823261193 606486542 /nfs/dbraw/zinc/48/65/42/606486542.db2.gz FQBUJRVQOMMJON-UHFFFAOYSA-N 1 0 382.493 2.844 20 0 GFADRO FC(F)Oc1cc(-c2nn[nH]n2)ccc1C[N@@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000822731998 606489297 /nfs/dbraw/zinc/48/92/97/606489297.db2.gz HDVFTYLHUZXKOC-CQSZACIVSA-N 1 0 375.383 2.502 20 0 GFADRO O=C(Cc1cccc(-c2nn[nH]n2)c1)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000823097779 606520715 /nfs/dbraw/zinc/52/07/15/606520715.db2.gz BBSYNRTZKRSDFI-UHFFFAOYSA-N 1 0 390.491 2.712 20 0 GFADRO Cc1cscc1C(=O)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000822414624 606521604 /nfs/dbraw/zinc/52/16/04/606521604.db2.gz NRPVVBYIYKHIMK-UHFFFAOYSA-N 1 0 382.493 2.585 20 0 GFADRO CC[NH+](CC)[C@H](CNC(=O)c1cc(-c2nn[nH]n2)cs1)Cc1ccccc1 ZINC000821181638 606535176 /nfs/dbraw/zinc/53/51/76/606535176.db2.gz NTFVZVRVGPBKPK-INIZCTEOSA-N 1 0 384.509 2.611 20 0 GFADRO O=C(NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc(-c2nn[nH]n2)s1 ZINC000823175315 606538465 /nfs/dbraw/zinc/53/84/65/606538465.db2.gz FNRWODZJINIDHR-OAHLLOKOSA-N 1 0 382.493 2.570 20 0 GFADRO C[C@H]1CC[N@H+](CCOc2ccc(NC(=O)c3cc(-c4nn[nH]n4)cs3)cc2)C1 ZINC000820722783 606546303 /nfs/dbraw/zinc/54/63/03/606546303.db2.gz OLFKDNQWIGNGAT-ZDUSSCGKSA-N 1 0 398.492 2.901 20 0 GFADRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)c2ccc(-c3nn[nH]n3)s2)CC1 ZINC000820570445 606564365 /nfs/dbraw/zinc/56/43/65/606564365.db2.gz JXERQWBMUPHMKU-CYBMUJFWSA-N 1 0 382.493 2.884 20 0 GFADRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000820758812 606581912 /nfs/dbraw/zinc/58/19/12/606581912.db2.gz DFHOKVXHZLCFQU-BEFAXECRSA-N 1 0 376.464 2.507 20 0 GFADRO CCO[C@@H]1C[C@H]([NH2+][C@H](C)C(=O)Nc2ccccc2-c2nn[nH]n2)C1(CC)CC ZINC000821362097 606621393 /nfs/dbraw/zinc/62/13/93/606621393.db2.gz YIUCZERHQSFXCF-XOKHGSTOSA-N 1 0 386.500 2.767 20 0 GFADRO C[C@H]([NH2+][C@H]1CCN(c2cccc(Cl)c2)C1=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000820418566 606624280 /nfs/dbraw/zinc/62/42/80/606624280.db2.gz BJEWTHXXUMJIRH-SJCJKPOMSA-N 1 0 382.855 2.976 20 0 GFADRO CCCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000821104775 606640355 /nfs/dbraw/zinc/64/03/55/606640355.db2.gz QCTSMXISICCFES-OAHLLOKOSA-N 1 0 387.532 2.765 20 0 GFADRO CC(C)([NH2+]CCCOc1ccc(-c2nn[nH]n2)cc1)C(=O)Nc1ccccc1 ZINC000819988191 606655469 /nfs/dbraw/zinc/65/54/69/606655469.db2.gz UDAHARNKSRVFFA-UHFFFAOYSA-N 1 0 380.452 2.643 20 0 GFADRO C[C@H]([NH2+][C@H]1CCN(c2c(F)cccc2F)C1=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000820414352 606711948 /nfs/dbraw/zinc/71/19/48/606711948.db2.gz XXZADDQTQFMXDE-ZBEGNZNMSA-N 1 0 384.390 2.601 20 0 GFADRO CC(C)(C)OC(=O)C[C@H]1CCC[N@H+](Cc2ccc(F)cc2-c2nn[nH]n2)C1 ZINC000819928606 606752968 /nfs/dbraw/zinc/75/29/68/606752968.db2.gz ROVJTRWXCOVIHB-CYBMUJFWSA-N 1 0 375.448 2.950 20 0 GFADRO COc1cc(OC)cc(N2CC[C@@H](C[NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)c1 ZINC000821724159 606771783 /nfs/dbraw/zinc/77/17/83/606771783.db2.gz RLBQMRILFVUTIE-INIZCTEOSA-N 1 0 394.479 2.500 20 0 GFADRO CC(C)(C)[N@H+](CC(=O)NCc1cccc(-c2nn[nH]n2)c1)Cc1ccccc1 ZINC000819913906 606788000 /nfs/dbraw/zinc/78/80/00/606788000.db2.gz HBNPENBBAKYHFT-UHFFFAOYSA-N 1 0 378.480 2.784 20 0 GFADRO COc1ccc(OC)c([C@H]2CCC[N@@H+]2C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)c1 ZINC000821841164 606848878 /nfs/dbraw/zinc/84/88/78/606848878.db2.gz FAUMAZLRFIDSDI-MOPGFXCFSA-N 1 0 395.463 2.754 20 0 GFADRO COc1ccc([C@H]2CCC[N@@H+]2C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)c(OC)c1 ZINC000821786425 606850639 /nfs/dbraw/zinc/85/06/39/606850639.db2.gz DHWVPKXULXZDQM-RTBURBONSA-N 1 0 395.463 2.754 20 0 GFADRO C[C@H]([NH2+]C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1)c1ccccc1OC(F)F ZINC000820419854 606851938 /nfs/dbraw/zinc/85/19/38/606851938.db2.gz KVWRXTNUOYFODL-XHDPSFHLSA-N 1 0 375.379 2.852 20 0 GFADRO O[C@@H](C[NH2+]Cc1cc(Br)ccc1F)c1ccc(-c2nn[nH]n2)cc1 ZINC000823682181 606853218 /nfs/dbraw/zinc/85/32/18/606853218.db2.gz NPJLAUQGDAFMLF-HNNXBMFYSA-N 1 0 392.232 2.592 20 0 GFADRO O=C(c1ccc(F)cc1)[C@@H]1CCC[N@@H+](C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000823487691 606862652 /nfs/dbraw/zinc/86/26/52/606862652.db2.gz GFYGTQIUVSEHSW-IEBWSBKVSA-N 1 0 395.438 2.634 20 0 GFADRO C[NH+](C)CCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)N[C@H]1CCCCC1(C)C ZINC000821586392 606874452 /nfs/dbraw/zinc/87/44/52/606874452.db2.gz VUVXVBBKHNNMEF-SFHVURJKSA-N 1 0 399.543 2.909 20 0 GFADRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)c1-c1nn[nH]n1 ZINC000822015828 606882402 /nfs/dbraw/zinc/88/24/02/606882402.db2.gz PLBTWUBEUKGGNV-BETUJISGSA-N 1 0 397.483 2.738 20 0 GFADRO CC1CCC([N@H+](C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)C[C@@H]2CCCO2)CC1 ZINC000820690666 606902309 /nfs/dbraw/zinc/90/23/09/606902309.db2.gz PUPFXGGJODCIEJ-OSXBXZONSA-N 1 0 385.512 2.960 20 0 GFADRO CCc1nnc(NC[C@@H](c2cccc(F)c2)[NH+](C)C)c(-c2nn[nH]n2)c1CC ZINC000821535661 606909592 /nfs/dbraw/zinc/90/95/92/606909592.db2.gz NCFUDCOJDQINDO-INIZCTEOSA-N 1 0 384.463 2.635 20 0 GFADRO CCc1nnc(NC[C@@H](c2ccc(F)cc2)[NH+](C)C)c(-c2nn[nH]n2)c1CC ZINC000821536204 606910986 /nfs/dbraw/zinc/91/09/86/606910986.db2.gz SLKCCTBTHZHVDD-INIZCTEOSA-N 1 0 384.463 2.635 20 0 GFADRO CCc1nnc(NCc2cccc(C[NH+]3CCCC3)c2)c(-c2nn[nH]n2)c1CC ZINC000821542364 606921518 /nfs/dbraw/zinc/92/15/18/606921518.db2.gz PWMDTYNHPNNKGV-UHFFFAOYSA-N 1 0 392.511 2.989 20 0 GFADRO O=C(CC1CC[NH+](Cc2ccc(F)c(-c3nn[nH]n3)c2)CC1)NC1CCCC1 ZINC000822946561 606967232 /nfs/dbraw/zinc/96/72/32/606967232.db2.gz YKTRSKVTPDJGOO-UHFFFAOYSA-N 1 0 386.475 2.667 20 0 GFADRO C[C@H]([NH2+][C@@H](C)c1ccc(-c2nn[nH]n2)cc1)c1ccc(NS(C)(=O)=O)cc1 ZINC000820412920 607013981 /nfs/dbraw/zinc/01/39/81/607013981.db2.gz NEEVZILHOMUSIW-STQMWFEESA-N 1 0 386.481 2.650 20 0 GFADRO Cc1cc(N2CCN(c3cc(-c4nn[nH]n4)ccn3)CC2)c2cc(F)ccc2[nH+]1 ZINC000822207148 607024551 /nfs/dbraw/zinc/02/45/51/607024551.db2.gz MNMAIAVULUXDJJ-UHFFFAOYSA-N 1 0 390.426 2.584 20 0 GFADRO Cc1cc(N2CCN(c3ccc(-c4nn[nH]n4)cn3)CC2)c2cc(F)ccc2[nH+]1 ZINC000822207195 607024933 /nfs/dbraw/zinc/02/49/33/607024933.db2.gz NYOZFFALVGZTLZ-UHFFFAOYSA-N 1 0 390.426 2.584 20 0 GFADRO COc1ccc(C)cc1[C@@H](C)[NH2+]C1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1 ZINC000821783154 607047069 /nfs/dbraw/zinc/04/70/69/607047069.db2.gz XPQVUTJPGLSZMW-OAHLLOKOSA-N 1 0 393.495 2.898 20 0 GFADRO COc1ccccc1NC(=O)C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC000821897094 607059508 /nfs/dbraw/zinc/05/95/08/607059508.db2.gz DETKKGDIZBSJDE-LBPRGKRZSA-N 1 0 384.415 2.521 20 0 GFADRO CC(C)(C)OC(=O)NC[C@H]1CCCC[N@@H+]1Cc1cc(F)ccc1-c1nn[nH]n1 ZINC000819939524 607059950 /nfs/dbraw/zinc/05/99/50/607059950.db2.gz FMEMCTSYUNTYGD-OAHLLOKOSA-N 1 0 390.463 2.885 20 0 GFADRO C[C@H](NC(=O)N1CC[NH+](C2CCCCC2)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000820352091 607064419 /nfs/dbraw/zinc/06/44/19/607064419.db2.gz RVLGPXWGNTYTJL-HNNXBMFYSA-N 1 0 383.500 2.588 20 0 GFADRO c1cc2nsnc2c(C[NH+]2CCC(Oc3ccc(-c4nn[nH]n4)cc3)CC2)c1 ZINC000823747995 607069486 /nfs/dbraw/zinc/06/94/86/607069486.db2.gz NGLKUAHCWPQIHE-UHFFFAOYSA-N 1 0 393.476 2.915 20 0 GFADRO C[N@H+](Cc1cc(F)ccc1-c1nn[nH]n1)CC(C)(C)CNC(=O)OC(C)(C)C ZINC000821607482 607070874 /nfs/dbraw/zinc/07/08/74/607070874.db2.gz QESVVHUCNYRFCU-UHFFFAOYSA-N 1 0 392.479 2.989 20 0 GFADRO C[NH+](C)CCN(Cc1ccc(-c2nn[nH]n2)cc1)c1ccnc(C(C)(C)C)n1 ZINC000821586398 607114656 /nfs/dbraw/zinc/11/46/56/607114656.db2.gz WFGIIDBJKJSDGS-UHFFFAOYSA-N 1 0 380.500 2.522 20 0 GFADRO Cc1ccc(C[NH+]2CCCC2)cc1NS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000822237369 607173159 /nfs/dbraw/zinc/17/31/59/607173159.db2.gz QOYHFLZPTCOBEJ-UHFFFAOYSA-N 1 0 398.492 2.572 20 0 GFADRO CC[NH+]1CCC(CCNC(=O)Nc2ccc(-c3nn[nH]n3)cc2Cl)CC1 ZINC000821240484 607197248 /nfs/dbraw/zinc/19/72/48/607197248.db2.gz HBYXUQDTALOSOP-UHFFFAOYSA-N 1 0 377.880 2.764 20 0 GFADRO C[C@H](CNC(=O)Nc1ccc(-c2nn[nH]n2)cc1Cl)[N@@H+]1CCCC[C@@H]1C ZINC000820706002 607199579 /nfs/dbraw/zinc/19/95/79/607199579.db2.gz XJVLNLHFEFCJNQ-NWDGAFQWSA-N 1 0 377.880 2.905 20 0 GFADRO C[C@@H](CNC(=O)Nc1ccc(-c2nn[nH]n2)cc1Cl)C[NH+]1CCCCC1 ZINC000820269316 607202521 /nfs/dbraw/zinc/20/25/21/607202521.db2.gz JMBZUMUGEUMELE-LBPRGKRZSA-N 1 0 377.880 2.764 20 0 GFADRO CC[NH+](CC)Cc1cccc(CNC(=O)c2ncc(-c3nn[nH]n3)cc2Cl)c1 ZINC000821197929 607233668 /nfs/dbraw/zinc/23/36/68/607233668.db2.gz PAKDBTQHRGUAAK-UHFFFAOYSA-N 1 0 399.886 2.687 20 0 GFADRO C[N@H+](Cc1ccccc1)CC(C)(C)NC(=O)c1ncc(-c2nn[nH]n2)cc1Cl ZINC000825981175 607824833 /nfs/dbraw/zinc/82/48/33/607824833.db2.gz QAYPCRFJZMZKSB-UHFFFAOYSA-N 1 0 399.886 2.556 20 0 GFADRO C[NH+](C)C1CCN(c2ccc(Nc3cccc(-c4nn[nH]n4)n3)cc2F)CC1 ZINC000825856249 607899273 /nfs/dbraw/zinc/89/92/73/607899273.db2.gz SRDFXKHKXSMCFN-UHFFFAOYSA-N 1 0 382.447 2.675 20 0 GFADRO C[C@H]([NH2+]Cc1ccccc1-c1nn[nH]n1)c1cc(F)ccc1N1CCC(O)CC1 ZINC000824617314 607908996 /nfs/dbraw/zinc/90/89/96/607908996.db2.gz GMNVLIWPBICKGD-AWEZNQCLSA-N 1 0 396.470 2.818 20 0 GFADRO CCO[C@H]1C[C@H]([N@H+](C)Cc2cccc(C(=O)OC)c2-c2nn[nH]n2)C12CCCC2 ZINC000825582609 607925409 /nfs/dbraw/zinc/92/54/09/607925409.db2.gz LYDLVJPJXXWKDI-IRXDYDNUSA-N 1 0 399.495 2.823 20 0 GFADRO C[C@H](NC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824500804 607979319 /nfs/dbraw/zinc/97/93/19/607979319.db2.gz ZLUXZFUFXSTPNI-JVPBZIDWSA-N 1 0 391.479 2.672 20 0 GFADRO C[C@H](NC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824500809 607979358 /nfs/dbraw/zinc/97/93/58/607979358.db2.gz ZLUXZFUFXSTPNI-ZOCIIQOWSA-N 1 0 391.479 2.672 20 0 GFADRO C[C@H]([NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)c1ccc(N2CCCC2=O)cc1 ZINC000824612137 607986163 /nfs/dbraw/zinc/98/61/63/607986163.db2.gz JOZJVCYFWXVGJO-ZDUSSCGKSA-N 1 0 380.427 2.983 20 0 GFADRO C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1c1ccc(-c2nn[nH]n2)cc1Br ZINC000826033921 608049075 /nfs/dbraw/zinc/04/90/75/608049075.db2.gz KVPGFKRMRLYCOI-CABCVRRESA-N 1 0 377.290 2.692 20 0 GFADRO Cc1cccc([C@H]2CC[N@H+](CCC(=O)Nc3ccccc3-c3nn[nH]n3)C2)c1 ZINC000826297858 608128029 /nfs/dbraw/zinc/12/80/29/608128029.db2.gz VKOVZUDZXANTNB-KRWDZBQOSA-N 1 0 376.464 2.993 20 0 GFADRO Fc1cccc(O[C@@H]2CC[N@H+](CCCOc3ccc(-c4nn[nH]n4)cc3)C2)c1 ZINC000826377056 608128591 /nfs/dbraw/zinc/12/85/91/608128591.db2.gz CHJFEAWTSOXGRG-LJQANCHMSA-N 1 0 383.427 2.928 20 0 GFADRO CCc1cnc(C[NH2+]C2CCC(Oc3ccc(-c4nn[nH]n4)cn3)CC2)s1 ZINC000825734262 608133670 /nfs/dbraw/zinc/13/36/70/608133670.db2.gz KQTBOIARKRZLEI-UHFFFAOYSA-N 1 0 385.497 2.760 20 0 GFADRO CC(C)(C)OC(=O)N1CCC[C@](C)(C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000824824665 608135788 /nfs/dbraw/zinc/13/57/88/608135788.db2.gz WPAHGRVMNREIAE-HXUWFJFHSA-N 1 0 386.500 2.994 20 0 GFADRO CC[N@H+](CCc1cccs1)[C@@H]1CCN(c2sccc2-c2nn[nH]n2)C1=O ZINC000825428089 608155189 /nfs/dbraw/zinc/15/51/89/608155189.db2.gz BEMDBMJTAYDCIO-CQSZACIVSA-N 1 0 388.522 2.660 20 0 GFADRO C[NH+](C)C1CN(C(=O)c2cccc(Oc3ccc(Cl)cc3-c3nn[nH]n3)c2)C1 ZINC000825855947 608209513 /nfs/dbraw/zinc/20/95/13/608209513.db2.gz MHTQYKJZBDCQNG-UHFFFAOYSA-N 1 0 398.854 2.698 20 0 GFADRO CN1CCO[C@@H]([C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)c2ccc(Cl)cc2)C1 ZINC000826045580 608242847 /nfs/dbraw/zinc/24/28/47/608242847.db2.gz ZOTMYJGWRRQFNJ-RTBURBONSA-N 1 0 398.898 2.682 20 0 GFADRO O=C(C=Cc1ccccc1-c1nn[nH]n1)OC[C@@H]1CCC[N@@H+]1Cc1ccco1 ZINC000826402537 608248998 /nfs/dbraw/zinc/24/89/98/608248998.db2.gz WNLRCMVKHXYKPU-YDZSZYSISA-N 1 0 379.420 2.681 20 0 GFADRO C[C@@H]1CN(C(=O)Nc2cccc(-c3nn[nH]n3)c2)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC000824976050 608266527 /nfs/dbraw/zinc/26/65/27/608266527.db2.gz MFMAVQVQFQROOC-CVEARBPZSA-N 1 0 391.479 2.993 20 0 GFADRO C[C@@H]([NH2+]CCOc1ccc(-c2nn[nH]n2)cc1)c1ccc(N2CCOC2=O)cc1 ZINC000824600174 608281063 /nfs/dbraw/zinc/28/10/63/608281063.db2.gz XBAXGBDICQAZHO-CQSZACIVSA-N 1 0 394.435 2.553 20 0 GFADRO Cc1ccc(-c2nn[nH]n2)c(N2CCC[N@H+](CCCc3ccccc3)CC2)n1 ZINC000826274782 608281575 /nfs/dbraw/zinc/28/15/75/608281575.db2.gz FCVITRYIRSWQSN-UHFFFAOYSA-N 1 0 377.496 2.715 20 0 GFADRO COc1cccc(C[C@H]([NH2+]CCOc2ccc(-c3nn[nH]n3)cc2)C2CC2)c1 ZINC000826215987 608281819 /nfs/dbraw/zinc/28/18/19/608281819.db2.gz FWQWVWSHQBMSHZ-FQEVSTJZSA-N 1 0 379.464 2.865 20 0 GFADRO C[C@@H](CC(=O)Nc1cccnc1Cl)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC000824384518 608283541 /nfs/dbraw/zinc/28/35/41/608283541.db2.gz CVBIGZBPKHOTMS-JTQLQIEISA-N 1 0 389.822 2.561 20 0 GFADRO CC[N@@H+]1C[C@@H](C)N(C(=O)Nc2ccc(OC(C)C)c(-c3nn[nH]n3)c2)C[C@@H]1C ZINC000825444792 608307216 /nfs/dbraw/zinc/30/72/16/608307216.db2.gz QWXVKNIJPOYIQY-UONOGXRCSA-N 1 0 387.488 2.600 20 0 GFADRO Cc1nn(-c2ccccc2)c(C[N@@H+](C[C@H](C)O)C2CCCCC2)c1-c1nn[nH]n1 ZINC000826332068 608312442 /nfs/dbraw/zinc/31/24/42/608312442.db2.gz ITQJFAWDKNRMDY-HNNXBMFYSA-N 1 0 395.511 2.876 20 0 GFADRO Cc1nn(-c2ccccc2)c(C[NH+]2CCc3ccccc3CC2)c1-c1nn[nH]n1 ZINC000826332375 608313215 /nfs/dbraw/zinc/31/32/15/608313215.db2.gz RXPXETBHWBIIRH-UHFFFAOYSA-N 1 0 385.475 2.962 20 0 GFADRO CC1CC[NH+](CC(=O)NCc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)CC1 ZINC000824956594 608329409 /nfs/dbraw/zinc/32/94/09/608329409.db2.gz TXMLIJLDJAQAEB-UHFFFAOYSA-N 1 0 390.491 2.882 20 0 GFADRO COc1cc(-c2nn[nH]n2)ccc1C[N@@H+]1CC[C@@H](CNc2cccc(C)n2)C1 ZINC000826168655 608364533 /nfs/dbraw/zinc/36/45/33/608364533.db2.gz UKJGNCRKZWGUPH-HNNXBMFYSA-N 1 0 379.468 2.513 20 0 GFADRO O=C(NC1CC[NH+](Cc2cccc(-c3nn[nH]n3)c2F)CC1)c1ccc(F)cc1 ZINC000826431636 608385440 /nfs/dbraw/zinc/38/54/40/608385440.db2.gz GYAIPYQKQBFYMO-UHFFFAOYSA-N 1 0 398.417 2.539 20 0 GFADRO C[NH+](C)C1(CNC(=O)N2CC=C(c3ccc(-c4nn[nH]n4)cc3)CC2)CCCC1 ZINC000825851714 608418142 /nfs/dbraw/zinc/41/81/42/608418142.db2.gz XLRDWGUMBQOTIW-UHFFFAOYSA-N 1 0 395.511 2.540 20 0 GFADRO C[C@@H]([NH2+]CCCOc1cccc(-c2nn[nH]n2)c1)c1ccc2c(c1)OCCO2 ZINC000824593676 608425382 /nfs/dbraw/zinc/42/53/82/608425382.db2.gz RZBXZYLGVFMVMG-CQSZACIVSA-N 1 0 381.436 2.758 20 0 GFADRO COc1cccc([C@H](C)[NH2+]CC(=O)Nc2sc(C)c(C)c2-c2nn[nH]n2)c1 ZINC000826214451 608432255 /nfs/dbraw/zinc/43/22/55/608432255.db2.gz MGMYNGFHIAYPOQ-NSHDSACASA-N 1 0 386.481 2.843 20 0 GFADRO CC[C@H]([NH2+][C@@H](C)C(=O)Nc1cccc(-c2nn[nH]n2)c1)c1ccccc1OC ZINC000825142989 608456111 /nfs/dbraw/zinc/45/61/11/608456111.db2.gz UNOZMRXOULKKHJ-GUYCJALGSA-N 1 0 380.452 2.943 20 0 GFADRO COc1ccc(F)cc1[C@H](C)[NH2+]CCC(=O)Nc1sccc1-c1nn[nH]n1 ZINC000826209136 608460130 /nfs/dbraw/zinc/46/01/30/608460130.db2.gz OIWJQQHXEWUTNF-JTQLQIEISA-N 1 0 390.444 2.755 20 0 GFADRO CC(C)N(Cc1ccccc1)C(=O)C[NH2+][C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000824555590 608461140 /nfs/dbraw/zinc/46/11/40/608461140.db2.gz XXCCJHBDUBFUEV-MRXNPFEDSA-N 1 0 378.480 2.955 20 0 GFADRO O[C@@H](C[N@H+]1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1)c1ccc(F)cc1F ZINC000826503114 608464339 /nfs/dbraw/zinc/46/43/39/608464339.db2.gz QSKQDGQDLOXJHS-IBGZPJMESA-N 1 0 383.402 2.968 20 0 GFADRO Cc1cccc(OC[C@H](O)C[N@H+]2CC=C(c3ccc(-c4nn[nH]n4)cc3)CC2)c1 ZINC000826300547 608465884 /nfs/dbraw/zinc/46/58/84/608465884.db2.gz YTIHRBHCFRHPSX-HXUWFJFHSA-N 1 0 391.475 2.704 20 0 GFADRO C[C@@H]([NH2+]CCOc1ccccc1-c1nn[nH]n1)c1ccc(N2CCOC2=O)cc1 ZINC000824599800 608474495 /nfs/dbraw/zinc/47/44/95/608474495.db2.gz SRYRLRZLJRWZDW-CQSZACIVSA-N 1 0 394.435 2.553 20 0 GFADRO Cc1ccc(C)c(OC[C@@H](O)C[NH2+][C@H](C)c2cccc(-c3nn[nH]n3)c2)c1C ZINC000826284772 608481653 /nfs/dbraw/zinc/48/16/53/608481653.db2.gz FDXXTKAKBXPUKI-APWZRJJASA-N 1 0 381.480 2.882 20 0 GFADRO CC(C)N(Cc1ccccc1)C(=O)C[NH2+][C@H](C)c1cccc(-c2nn[nH]n2)c1 ZINC000824553748 608481956 /nfs/dbraw/zinc/48/19/56/608481956.db2.gz GVCHSYBWUSSRJZ-MRXNPFEDSA-N 1 0 378.480 2.955 20 0 GFADRO C[C@H]([NH2+]CC(=O)NC12CC3CC(CC(C3)C1)C2)c1cccc(-c2nn[nH]n2)c1 ZINC000824554741 608487039 /nfs/dbraw/zinc/48/70/39/608487039.db2.gz RMRJNUPZFCAVPB-JHMRYYBSSA-N 1 0 380.496 2.602 20 0 GFADRO C[C@@H]([NH2+]CC(=O)Nc1nc2ccc(F)cc2s1)c1cccc(-c2nn[nH]n2)c1 ZINC000824562302 608487097 /nfs/dbraw/zinc/48/70/97/608487097.db2.gz FBHOIKPRSFFLMM-SNVBAGLBSA-N 1 0 397.439 2.905 20 0 GFADRO Cc1ccc(SCCNC(=O)C[NH2+][C@H](C)c2cccc(-c3nn[nH]n3)c2)cc1 ZINC000826293051 608489005 /nfs/dbraw/zinc/48/90/05/608489005.db2.gz YMTLNYUZRPMGLM-OAHLLOKOSA-N 1 0 396.520 2.734 20 0 GFADRO O=C([C@H]1CCC[N@@H+]1C1CCCC1)N1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826398687 608489197 /nfs/dbraw/zinc/48/91/97/608489197.db2.gz BZVOCAIBVOEPPB-HXUWFJFHSA-N 1 0 392.507 2.889 20 0 GFADRO CC(C)Oc1ccc(NC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)cc1-c1nn[nH]n1 ZINC000824329189 608494535 /nfs/dbraw/zinc/49/45/35/608494535.db2.gz KSMRBFKUYSSIDN-HNNXBMFYSA-N 1 0 399.499 2.604 20 0 GFADRO COCCSc1ccc([C@@H](C)[NH2+]C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000826163330 608495853 /nfs/dbraw/zinc/49/58/53/608495853.db2.gz PIMZWEFMJNFQCF-AUUYWEPGSA-N 1 0 399.520 2.989 20 0 GFADRO COc1ccccc1/C=C\CN1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826218401 608502823 /nfs/dbraw/zinc/50/28/23/608502823.db2.gz AUUSAMUPLGQXMG-XQRVVYSFSA-N 1 0 390.491 2.706 20 0 GFADRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+][C@@H]2CCCc3cc(-c4nn[nH]n4)ccc32)C1 ZINC000824103493 608510125 /nfs/dbraw/zinc/51/01/25/608510125.db2.gz CERNCTUQAUUYLF-NVXWUHKLSA-N 1 0 384.484 2.843 20 0 GFADRO CCc1oc2ccccc2c1C[NH+]1CCN(c2cc(-c3nn[nH]n3)ccn2)CC1 ZINC000825776759 608512400 /nfs/dbraw/zinc/51/24/00/608512400.db2.gz KGQNSANAVQIHQF-UHFFFAOYSA-N 1 0 389.463 2.893 20 0 GFADRO O=C(C1CCCC1)N1CC[C@@H]([NH2+][C@@H]2CCCc3cc(-c4nn[nH]n4)ccc32)C1 ZINC000826399336 608518945 /nfs/dbraw/zinc/51/89/45/608518945.db2.gz SYLFFTPPBQYXTE-IEBWSBKVSA-N 1 0 380.496 2.625 20 0 GFADRO Cc1ccccc1[C@H]([NH2+]CC(=O)NCc1ccc(-c2nn[nH]n2)cc1)C(C)C ZINC000826305719 608520039 /nfs/dbraw/zinc/52/00/39/608520039.db2.gz GVIWWELGEADEGD-HXUWFJFHSA-N 1 0 378.480 2.778 20 0 GFADRO CC(C)[N@H+](Cc1cnc(N2CCOCC2)s1)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000824293621 608531851 /nfs/dbraw/zinc/53/18/51/608531851.db2.gz UKVIJEXKGUSFBH-UHFFFAOYSA-N 1 0 399.524 2.570 20 0 GFADRO C[C@H]1CCc2ccccc2N1C(=O)C[NH2+]C1(c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000824969020 608532334 /nfs/dbraw/zinc/53/23/34/608532334.db2.gz SEQLPRDYBDWQPP-HNNXBMFYSA-N 1 0 388.475 2.813 20 0 GFADRO O=C(C[NH2+]C1(c2cccc(-c3nn[nH]n3)c2)CC1)NCCCC1CCCCC1 ZINC000826412213 608532684 /nfs/dbraw/zinc/53/26/84/608532684.db2.gz GMYWCGYEZOENLY-UHFFFAOYSA-N 1 0 382.512 2.922 20 0 GFADRO CCc1cccc(C)c1NC(=O)C[NH2+]C1(c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000825718318 608533295 /nfs/dbraw/zinc/53/32/95/608533295.db2.gz ZYMDDMWRAXAIDE-UHFFFAOYSA-N 1 0 376.464 2.955 20 0 GFADRO COC(=O)C(C)(C)[C@H]([NH2+]Cc1cc(-c2nn[nH]n2)ccc1OC)c1ccccc1 ZINC000826098777 608555065 /nfs/dbraw/zinc/55/50/65/608555065.db2.gz OENJNNHJEOTHKO-GOSISDBHSA-N 1 0 395.463 2.905 20 0 GFADRO COC(=O)C(C)(C)[C@H]([NH2+]CCOc1ccccc1-c1nn[nH]n1)c1ccccc1 ZINC000826098851 608555227 /nfs/dbraw/zinc/55/52/27/608555227.db2.gz RISJKEBUVLEEGI-GOSISDBHSA-N 1 0 395.463 2.776 20 0 GFADRO C[NH+](C)C1CCN(Cc2cccc(OCc3ccccc3-c3nn[nH]n3)c2)CC1 ZINC000825856374 608559844 /nfs/dbraw/zinc/55/98/44/608559844.db2.gz UIIXBYIMLXSCGB-UHFFFAOYSA-N 1 0 392.507 2.972 20 0 GFADRO COCC[N@H+](Cc1cnc2ccc(-c3nn[nH]n3)cn12)Cc1ccc(C)cc1C ZINC000826158827 608563608 /nfs/dbraw/zinc/56/36/08/608563608.db2.gz FETZDIOKDURNBD-UHFFFAOYSA-N 1 0 391.479 2.780 20 0 GFADRO CN1C(=O)C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)[C@@H]1c1ccc(Cl)cc1 ZINC000826010226 608568954 /nfs/dbraw/zinc/56/89/54/608568954.db2.gz FAEWDICKEIANDO-AEFFLSMTSA-N 1 0 382.855 2.582 20 0 GFADRO CN1C(=O)C[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)[C@@H]1c1ccc(Cl)cc1 ZINC000826010097 608569026 /nfs/dbraw/zinc/56/90/26/608569026.db2.gz CNARMQDJIOBJGI-AEFFLSMTSA-N 1 0 382.855 2.582 20 0 GFADRO CC(C)(C)OC(=O)N[C@H]1CCC[C@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC000824108974 608578735 /nfs/dbraw/zinc/57/87/35/608578735.db2.gz LZJCIBOXBBAYNN-CABCVRRESA-N 1 0 376.436 2.541 20 0 GFADRO CCOC(=O)C(F)(F)[C@@H]1CC[C@H]([NH2+][C@@H](C)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000825491962 608579841 /nfs/dbraw/zinc/57/98/41/608579841.db2.gz AZVMVNMKIHBFIW-GLQYFDAESA-N 1 0 379.411 2.884 20 0 GFADRO CCC[C@@H](C[NH+]1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1)c1ccccc1 ZINC000825242193 608580715 /nfs/dbraw/zinc/58/07/15/608580715.db2.gz KOEDRQOPGDSLJR-IBGZPJMESA-N 1 0 377.496 2.968 20 0 GFADRO Fc1cccc(N2CC[NH+](C[C@H]3C[C@H]3c3ccccc3)CC2)c1-c1nn[nH]n1 ZINC000826377628 608595825 /nfs/dbraw/zinc/59/58/25/608595825.db2.gz ZIYHRSGGGIYORL-SJORKVTESA-N 1 0 378.455 2.932 20 0 GFADRO Fc1cccc(N2CC[NH+](Cc3ccc4ncccc4c3)CC2)c1-c1nn[nH]n1 ZINC000826377389 608595961 /nfs/dbraw/zinc/59/59/61/608595961.db2.gz PNLRQCGIOGTUFQ-UHFFFAOYSA-N 1 0 389.438 2.876 20 0 GFADRO CCCC[N@H+](CC(N)=O)Cc1cccc(OCc2cccc(-c3nn[nH]n3)c2)c1 ZINC000825281624 608597849 /nfs/dbraw/zinc/59/78/49/608597849.db2.gz HPCPSSZZXWXZCS-UHFFFAOYSA-N 1 0 394.479 2.533 20 0 GFADRO c1nc2ccc(-c3nn[nH]n3)cn2c1C[NH+]1CCC(OC2CCCCC2)CC1 ZINC000826518105 608658787 /nfs/dbraw/zinc/65/87/87/608658787.db2.gz BWVVKLOHVMDDOR-UHFFFAOYSA-N 1 0 381.484 2.828 20 0 GFADRO CN(C(=O)OC(C)(C)C)[C@H]1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC000825825482 608659931 /nfs/dbraw/zinc/65/99/31/608659931.db2.gz DUAYKNLMBWTZLU-LBPRGKRZSA-N 1 0 378.502 2.760 20 0 GFADRO C[NH+](C)C[C@H]1CCN(Cc2cccc(OCc3ccccc3-c3nn[nH]n3)c2)C1 ZINC000825860570 608698814 /nfs/dbraw/zinc/69/88/14/608698814.db2.gz RWESNNWFBKOCNC-GOSISDBHSA-N 1 0 392.507 2.829 20 0 GFADRO CCO[C@H]1C[C@@H]([N@H+](C)Cc2cnc3ccc(-c4nn[nH]n4)cn23)C12CCCC2 ZINC000825581882 608719661 /nfs/dbraw/zinc/71/96/61/608719661.db2.gz FOEUXDKUKOEURK-SJORKVTESA-N 1 0 381.484 2.684 20 0 GFADRO c1ccc(C[N@@H+]2CCC[C@@H]3CN(c4cnccc4-c4nn[nH]n4)CC[C@@H]32)cc1 ZINC000826521438 608795196 /nfs/dbraw/zinc/79/51/96/608795196.db2.gz MFMQFHHRRDBRRW-MJGOQNOKSA-N 1 0 375.480 2.753 20 0 GFADRO COc1ccc(C[N@@H+]2CCC[C@@H]2Cn2cnc3ccccc32)cc1-c1nn[nH]n1 ZINC000826194333 608801965 /nfs/dbraw/zinc/80/19/65/608801965.db2.gz JFSSNIFXZFWIPD-MRXNPFEDSA-N 1 0 389.463 2.890 20 0 GFADRO Cc1cccc(C)c1OC[C@@H](O)C[NH2+][C@H](C)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000826297190 609137680 /nfs/dbraw/zinc/13/76/80/609137680.db2.gz YILCHZVGIBNONU-ZBFHGGJFSA-N 1 0 385.443 2.713 20 0 GFADRO C[C@@H]([NH2+][C@H](CNC(=O)OC(C)(C)C)C1CC1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824530219 609145074 /nfs/dbraw/zinc/14/50/74/609145074.db2.gz KCKSQWOWOHGRMY-BDJLRTHQSA-N 1 0 390.463 2.960 20 0 GFADRO C[C@@H]([NH2+][C@@H]1CCN(C(=O)C2CCCCC2)C1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824547654 609149609 /nfs/dbraw/zinc/14/96/09/609149609.db2.gz RCJVWCUMUIVRBQ-CZUORRHYSA-N 1 0 386.475 2.838 20 0 GFADRO C[C@H]([NH2+][C@@H]1C[C@H](C)N(c2ccccc2)C1=O)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824539526 609151151 /nfs/dbraw/zinc/15/11/51/609151151.db2.gz OFKMZIVMLSSNRP-ZJNRKIDTSA-N 1 0 380.427 2.850 20 0 GFADRO C[C@@H](CC(=O)NCCc1ccccc1)[NH2+]C1(c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000824384990 609249558 /nfs/dbraw/zinc/24/95/58/609249558.db2.gz JHPFUGGBAUBGFX-INIZCTEOSA-N 1 0 390.491 2.583 20 0 GFADRO FC(F)Oc1cc(-c2nn[nH]n2)ccc1C[N@@H+]1CCC[C@@H]1C1CCOCC1 ZINC000826369754 609284154 /nfs/dbraw/zinc/28/41/54/609284154.db2.gz PFHUFEFXPYWONB-OAHLLOKOSA-N 1 0 379.411 2.859 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)c1ccc(Cl)c(-c2nn[nH]n2)c1)c1cccs1 ZINC000825849387 609286813 /nfs/dbraw/zinc/28/68/13/609286813.db2.gz LBKCZRCWHZPCPB-ZDUSSCGKSA-N 1 0 376.873 2.614 20 0 GFADRO C[C@@H](NC(=O)N[C@@H](C)c1cccc(-c2nn[nH]n2)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000824490436 609303649 /nfs/dbraw/zinc/30/36/49/609303649.db2.gz PKEFNWIJSZSNIW-DAYGRLMNSA-N 1 0 397.527 2.880 20 0 GFADRO CCC1(C[NH2+]C2CCC(Oc3ccc(-c4nn[nH]n4)cn3)CC2)CCOCC1 ZINC000825171770 609319752 /nfs/dbraw/zinc/31/97/52/609319752.db2.gz VXDVZTPORVMBRK-UHFFFAOYSA-N 1 0 386.500 2.748 20 0 GFADRO COc1cccc([C@@H]2[C@@H](Nc3ncccc3-c3nn[nH]n3)CC[N@@H+]2C2CC2)c1 ZINC000826215019 609322859 /nfs/dbraw/zinc/32/28/59/609322859.db2.gz DJHRIXAFYYGBLK-ZWKOTPCHSA-N 1 0 377.452 2.660 20 0 GFADRO C[C@H]([NH2+]Cc1ccccc1N1CCOCC1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824627606 609330859 /nfs/dbraw/zinc/33/08/59/609330859.db2.gz ZSCWOVRXEPGESX-AWEZNQCLSA-N 1 0 382.443 2.693 20 0 GFADRO C[C@H]1CCCC[N@@H+]1CCCNCc1cn(C)nc1-c1ccc(-c2nn[nH]n2)cc1 ZINC000824936931 609335600 /nfs/dbraw/zinc/33/56/00/609335600.db2.gz NKNNUNAPTXMAAL-INIZCTEOSA-N 1 0 394.527 2.621 20 0 GFADRO COc1cccc(CC[NH2+]Cc2cn(C)nc2-c2ccc(-c3nn[nH]n3)cc2)c1 ZINC000826216174 609337028 /nfs/dbraw/zinc/33/70/28/609337028.db2.gz NFBOYDLYGUMLAG-UHFFFAOYSA-N 1 0 389.463 2.608 20 0 GFADRO CCCC(O)(CCC)C[NH2+]Cc1cn(C)nc1-c1ccc(-c2nn[nH]n2)cc1 ZINC000825242602 609339798 /nfs/dbraw/zinc/33/97/98/609339798.db2.gz WFSFNFWLBLRWOF-UHFFFAOYSA-N 1 0 383.500 2.688 20 0 GFADRO CC(C)OC(=O)N1CCC([NH2+][C@H](C)c2ccc(-c3nn[nH]n3)cc2F)CC1 ZINC000824309165 609340622 /nfs/dbraw/zinc/34/06/22/609340622.db2.gz HNJRXBBMSHVBIB-GFCCVEGCSA-N 1 0 376.436 2.666 20 0 GFADRO C[C@H](CNC(=O)OC(C)(C)C)C[NH2+][C@@H](C)c1ccc(-c2nn[nH]n2)cc1F ZINC000824420374 609343592 /nfs/dbraw/zinc/34/35/92/609343592.db2.gz IRLKIISIKYONPP-RYUDHWBXSA-N 1 0 378.452 2.817 20 0 GFADRO C[C@@H](NC(=O)Nc1ccc(F)cc1-c1nn[nH]n1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000824506488 609352176 /nfs/dbraw/zinc/35/21/76/609352176.db2.gz OZTYSUDVKVTXMD-OLZOCXBDSA-N 1 0 387.463 2.780 20 0 GFADRO C[C@@H]1C[C@@H](N(C)Cc2ccc(-c3nn[nH]n3)cc2Br)CC[N@@H+]1C ZINC000824883699 609363778 /nfs/dbraw/zinc/36/37/78/609363778.db2.gz IUNPDJPAVAHCGP-RISCZKNCSA-N 1 0 379.306 2.544 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)Cc2ccc(-c3nn[nH]n3)cc2Br)C[C@H]1C ZINC000825454029 609364183 /nfs/dbraw/zinc/36/41/83/609364183.db2.gz YDELTTSFFOCHCU-IUODEOHRSA-N 1 0 393.333 2.934 20 0 GFADRO Brc1cc(-c2nn[nH]n2)ccc1C[N@@H+]1CC[C@H](C2CCOCC2)C1 ZINC000823820694 609365255 /nfs/dbraw/zinc/36/52/55/609365255.db2.gz IZWNXPCYYXKPLB-AWEZNQCLSA-N 1 0 392.301 2.878 20 0 GFADRO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ccc(-c2nn[nH]n2)cc1Br ZINC000825218086 609366279 /nfs/dbraw/zinc/36/62/79/609366279.db2.gz CFRDGSWDFWTVQL-CABCVRRESA-N 1 0 391.317 2.688 20 0 GFADRO C[C@H](CNC(=O)c1ccccc1Oc1ccccc1-c1nn[nH]n1)[NH+]1CCCC1 ZINC000824428225 609380475 /nfs/dbraw/zinc/38/04/75/609380475.db2.gz QTGIDJHXLMSOTK-OAHLLOKOSA-N 1 0 392.463 2.873 20 0 GFADRO O=C1[C@H]([NH2+]C2CCC(F)(F)CC2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826477306 609417466 /nfs/dbraw/zinc/41/74/66/609417466.db2.gz ZLKVKOHNPVCRLY-OAHLLOKOSA-N 1 0 376.411 2.530 20 0 GFADRO C[C@@H]([NH2+]CCOc1ccc(-c2nn[nH]n2)cc1)c1cccc(-n2ccnc2)c1 ZINC000824600393 609441452 /nfs/dbraw/zinc/44/14/52/609441452.db2.gz ZSQRCEHFVTZEDA-OAHLLOKOSA-N 1 0 375.436 2.782 20 0 GFADRO Cc1ccnc(N2CCC(C[N@@H+](C)Cc3ccccc3)CC2)c1-c1nn[nH]n1 ZINC000826309986 609546854 /nfs/dbraw/zinc/54/68/54/609546854.db2.gz IHLWIESNOWOOOU-UHFFFAOYSA-N 1 0 377.496 2.919 20 0 GFADRO CC[C@@H](C(=O)Nc1cc(-c2ccc(I)cc2)[nH]n1)[NH+](C)C ZINC000532811219 650753678 /nfs/dbraw/zinc/75/36/78/650753678.db2.gz FQIPWUVHKOSONU-ZDUSSCGKSA-N 1 0 398.248 2.960 20 0 GFADRO CSc1nc2ccc(NC(=O)C(=O)N(C)C[C@@H]3CCC[N@@H+]3C)cc2s1 ZINC000817401073 660193971 /nfs/dbraw/zinc/19/39/71/660193971.db2.gz IJYGUXDXHHUIAJ-LBPRGKRZSA-N 1 0 378.523 2.509 20 0 GFADRO Brc1ccc2nc(C[NH2+][C@@H]3CCc4nnnn4CC3)sc2c1 ZINC000817418999 660194658 /nfs/dbraw/zinc/19/46/58/660194658.db2.gz NTZCRRDIUOWAFB-SNVBAGLBSA-N 1 0 379.287 2.540 20 0 GFADRO C[NH+]1CCN(CCCNC(=O)C(F)(F)c2cc(Cl)ccc2Cl)CC1 ZINC000817512037 660199182 /nfs/dbraw/zinc/19/91/82/660199182.db2.gz ATMWSRBOILXHBV-UHFFFAOYSA-N 1 0 380.266 2.839 20 0 GFADRO COc1cc(/C=C\C(=O)N(C)C[C@H]2CCC[N@@H+]2C)cc(Br)c1O ZINC000817675852 660205086 /nfs/dbraw/zinc/20/50/86/660205086.db2.gz CLUKAJNSWVWJGV-FMFIFOJESA-N 1 0 383.286 2.729 20 0 GFADRO O=C([C@@H]1CCN(c2cc(Cl)ccc2Cl)C1=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000818016878 660213959 /nfs/dbraw/zinc/21/39/59/660213959.db2.gz QKPKLLIPBCJMCU-SCLBCKFNSA-N 1 0 382.291 2.701 20 0 GFADRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)c3cc(C(F)(F)F)cc(Cl)n3)[C@H]2C1 ZINC000818046028 660214611 /nfs/dbraw/zinc/21/46/11/660214611.db2.gz ZIHKWZRYQMGMCP-QWHCGFSZSA-N 1 0 377.794 2.689 20 0 GFADRO CC(C)(C)OC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(S(C)(=O)=O)s2)C1(C)C ZINC000818216813 660219775 /nfs/dbraw/zinc/21/97/75/660219775.db2.gz ODJIUWWFNLPQQZ-STQMWFEESA-N 1 0 388.555 2.933 20 0 GFADRO [NH3+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)c1c(F)cccc1I ZINC000818476818 660226855 /nfs/dbraw/zinc/22/68/55/660226855.db2.gz ZJBANUMSMHGAGK-FGWVZKOKSA-N 1 0 388.224 2.915 20 0 GFADRO CC(C)[C@@](C)(C[NH3+])NC(=O)c1ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c1 ZINC000818522452 660227680 /nfs/dbraw/zinc/22/76/80/660227680.db2.gz VTCUGBNVXHMTHW-QGZVFWFLSA-N 1 0 389.949 2.520 20 0 GFADRO Cc1ccc(-n2nc(Br)cc2C(=O)N2C[C@H](C[NH3+])C[C@@H]2C)cc1 ZINC000818563505 660228799 /nfs/dbraw/zinc/22/87/99/660228799.db2.gz NILKYXRNOSMBRK-STQMWFEESA-N 1 0 377.286 2.753 20 0 GFADRO CCN(CC)C(=O)C[NH2+]C[C@](C)(O)c1ccc(Br)cc1Cl ZINC000818975406 660240403 /nfs/dbraw/zinc/24/04/03/660240403.db2.gz NUIWMWIEYHMGBG-HNNXBMFYSA-N 1 0 377.710 2.768 20 0 GFADRO CCS(=O)(=O)CC[NH2+]CC1(c2ccc(Br)cc2)CCOCC1 ZINC000818997679 660242683 /nfs/dbraw/zinc/24/26/83/660242683.db2.gz IJOKNLFDTFJVDN-UHFFFAOYSA-N 1 0 390.343 2.522 20 0 GFADRO NS(=O)(=O)Cc1cccc(C[NH2+]C[C@H](O)c2ccc(Cl)cc2Cl)c1 ZINC000819005387 660243155 /nfs/dbraw/zinc/24/31/55/660243155.db2.gz NYWOHRWQLHAWIC-INIZCTEOSA-N 1 0 389.304 2.605 20 0 GFADRO CN(CC[NH2+]C[C@](C)(O)c1ccc(Br)cc1F)CC(F)(F)F ZINC000819055569 660244823 /nfs/dbraw/zinc/24/48/23/660244823.db2.gz RPQUNVOIWILCJY-ZDUSSCGKSA-N 1 0 387.215 2.879 20 0 GFADRO CNC(=O)c1cccc(CC[NH2+]C[C@H](O)c2cccc(Br)c2)c1 ZINC000819096192 660246394 /nfs/dbraw/zinc/24/63/94/660246394.db2.gz YXNHQDLXJDVHIE-KRWDZBQOSA-N 1 0 377.282 2.674 20 0 GFADRO C[C@@](O)(C[NH2+]CCCOC1CCOCC1)c1ccc(Br)cc1F ZINC000819101685 660246600 /nfs/dbraw/zinc/24/66/00/660246600.db2.gz XTGWTUNMJHHQIC-QGZVFWFLSA-N 1 0 390.293 2.971 20 0 GFADRO CCO[C@@H]1C[C@H]([NH2+]C[C@](C)(O)c2ccc(Br)cc2F)[C@H]1OC ZINC000819226858 660250971 /nfs/dbraw/zinc/25/09/71/660250971.db2.gz KWHNWRINUFQLFX-JJXSEGSLSA-N 1 0 376.266 2.578 20 0 GFADRO Cn1ccc(N2CCC[C@H]([NH2+]C[C@@H](O)c3ccc(Cl)cc3Cl)C2=O)n1 ZINC000819112050 660246928 /nfs/dbraw/zinc/24/69/28/660246928.db2.gz AAUPDTMVIZWGBQ-LSDHHAIUSA-N 1 0 383.279 2.546 20 0 GFADRO C[C@H](C[NH2+]C[C@@H](O)c1ccc(S(C)(=O)=O)cc1)Oc1ccc(Cl)cc1 ZINC000819122364 660247240 /nfs/dbraw/zinc/24/72/40/660247240.db2.gz OPFRZLGSAWAGBD-FZKQIMNGSA-N 1 0 383.897 2.834 20 0 GFADRO O=C(CC[NH2+]C[C@@H]1CSCCS1)Nc1ccc(N2CCCC2=O)cc1 ZINC000819142499 660247830 /nfs/dbraw/zinc/24/78/30/660247830.db2.gz QFOWMYVYUQVPBH-MRXNPFEDSA-N 1 0 379.551 2.580 20 0 GFADRO CCNS(=O)(=O)c1ccc(C[NH2+]C[C@@H](O)c2ccc(Cl)c(F)c2)cc1 ZINC000819167502 660248479 /nfs/dbraw/zinc/24/84/79/660248479.db2.gz CIVHMBHEFKSUQP-QGZVFWFLSA-N 1 0 386.876 2.601 20 0 GFADRO Cc1cc(S(=O)(=O)NCC[NH2+]C[C@H](O)c2ccc(Cl)cc2)c(C)s1 ZINC000819180635 660249064 /nfs/dbraw/zinc/24/90/64/660249064.db2.gz UZIKELJTVRWQOE-HNNXBMFYSA-N 1 0 388.942 2.620 20 0 GFADRO CCOC(=O)C[C@H](C)C[NH2+]C[C@@](C)(O)c1ccc(Br)cc1F ZINC000819192923 660249623 /nfs/dbraw/zinc/24/96/23/660249623.db2.gz ATFMKTKVCKIIHY-MEDUHNTESA-N 1 0 376.266 2.975 20 0 GFADRO CCN(C)C(=O)[C@H](C)[NH2+]C[C@](C)(O)c1ccc(Br)cc1Cl ZINC000819258485 660252314 /nfs/dbraw/zinc/25/23/14/660252314.db2.gz NVGZLPUBJHCHEZ-BONVTDFDSA-N 1 0 377.710 2.766 20 0 GFADRO CS(=O)(=O)c1ccc(C[NH2+]C[C@H](O)c2ccc(F)cc2F)cc1Cl ZINC000819264114 660252769 /nfs/dbraw/zinc/25/27/69/660252769.db2.gz LPESCGASXKUVIY-HNNXBMFYSA-N 1 0 375.824 2.845 20 0 GFADRO O[C@@H](C[NH2+][C@@H]1CCN(c2cccc(Br)c2)C1)c1ccc(F)cn1 ZINC000819270014 660253101 /nfs/dbraw/zinc/25/31/01/660253101.db2.gz RZHCLHJKXMWLDZ-PBHICJAKSA-N 1 0 380.261 2.885 20 0 GFADRO C[C@@H](CCNS(=O)(=O)c1ccccc1)[NH2+]C[C@H](O)c1ccc(Cl)cc1 ZINC000819298121 660253998 /nfs/dbraw/zinc/25/39/98/660253998.db2.gz JJUMETSGSMDWGJ-KSSFIOAISA-N 1 0 382.913 2.720 20 0 GFADRO COCC[C@@H](COC)[NH2+]C[C@](C)(O)c1ccc(Br)cc1Cl ZINC000819323647 660254885 /nfs/dbraw/zinc/25/48/85/660254885.db2.gz NUWDMZNWCYMQHV-WFASDCNBSA-N 1 0 380.710 2.951 20 0 GFADRO CC(C)(C)OC(=O)NC[C@@](C)(O)C[NH2+]CCOc1ccc(F)c(Cl)c1 ZINC000819341436 660255746 /nfs/dbraw/zinc/25/57/46/660255746.db2.gz OTHCIMNMWKYWCU-KRWDZBQOSA-N 1 0 376.856 2.723 20 0 GFADRO CS(=O)(=O)c1ccc(C[NH2+]C[C@@H](O)c2ccc(Br)cc2)s1 ZINC000819255786 660252137 /nfs/dbraw/zinc/25/21/37/660252137.db2.gz DFBIJVZPJAWDJR-CYBMUJFWSA-N 1 0 390.324 2.737 20 0 GFADRO CC(C)(CC[NH2+]C[C@@](C)(O)c1ccc(Br)cc1F)S(C)(=O)=O ZINC000819372105 660257361 /nfs/dbraw/zinc/25/73/61/660257361.db2.gz UTPZBTLJNYMAJH-OAHLLOKOSA-N 1 0 396.322 2.599 20 0 GFADRO CON1CCC([NH2+]C[C@](C)(O)c2ccc(Br)cc2Cl)CC1 ZINC000819373912 660257364 /nfs/dbraw/zinc/25/73/64/660257364.db2.gz LWAFQFOFHOVYGG-HNNXBMFYSA-N 1 0 377.710 2.925 20 0 GFADRO O=C(NC1CC[NH+](Cc2cccnc2)CC1)c1csc(Br)n1 ZINC000820013070 660278157 /nfs/dbraw/zinc/27/81/57/660278157.db2.gz USEDLLCTUZDPQN-UHFFFAOYSA-N 1 0 381.299 2.695 20 0 GFADRO C[C@H](CNC(=O)c1cc(Br)cnc1Br)C[NH+](C)C ZINC000820247359 660286322 /nfs/dbraw/zinc/28/63/22/660286322.db2.gz OAUYKRKXXKFLRK-MRVPVSSYSA-N 1 0 379.096 2.534 20 0 GFADRO CN(C(=O)c1ccc(NC(=O)C2(Br)CC2)cc1)[C@@H]1CCC[N@H+](C)C1 ZINC000820252676 660286489 /nfs/dbraw/zinc/28/64/89/660286489.db2.gz HPNPYRFCHXPBDL-OAHLLOKOSA-N 1 0 394.313 2.719 20 0 GFADRO C[C@@H]([NH2+]C[C@@H](C)Cc1cccs1)c1ccc(S(=O)(=O)CC(N)=O)cc1 ZINC000820812461 660307405 /nfs/dbraw/zinc/30/74/05/660307405.db2.gz LVKOXVYEBYYWHN-UONOGXRCSA-N 1 0 380.535 2.537 20 0 GFADRO COc1ccc(Br)c([C@H](CO)N(C)C(=O)CC[NH2+]C(C)(C)C)c1 ZINC000821356993 660322961 /nfs/dbraw/zinc/32/29/61/660322961.db2.gz ZXOPFUATWRSGTA-HNNXBMFYSA-N 1 0 387.318 2.728 20 0 GFADRO C[C@H](NC(=O)c1cc(N)nc(Br)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000821811245 660334341 /nfs/dbraw/zinc/33/43/41/660334341.db2.gz HGXOFQRKSUNKQD-RYUDHWBXSA-N 1 0 381.318 2.809 20 0 GFADRO C[C@H](C[NH+]1CCCCC1)NC(=O)[C@@]1(C)CC1(Br)Br ZINC000821829990 660334857 /nfs/dbraw/zinc/33/48/57/660334857.db2.gz ASRBEQSRFTXGIT-ZYHUDNBSSA-N 1 0 382.140 2.873 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@]1(C)CC1(Br)Br ZINC000822100390 660340441 /nfs/dbraw/zinc/34/04/41/660340441.db2.gz CFXYCUCTTBPQEA-PWSUYJOCSA-N 1 0 382.140 2.873 20 0 GFADRO C[N@@H+]1CCC[C@H](CCNC(=O)C[C@@H]2C(=O)Nc3c2cccc3Br)C1 ZINC000822458439 660345983 /nfs/dbraw/zinc/34/59/83/660345983.db2.gz ZMAQHJXSOPAHLY-OCCSQVGLSA-N 1 0 394.313 2.723 20 0 GFADRO C[NH+](C)CCOc1ccc(NC(=O)c2ncc(Br)cn2)cc1F ZINC000822484256 660346475 /nfs/dbraw/zinc/34/64/75/660346475.db2.gz KGYZXSGPWKZJEC-UHFFFAOYSA-N 1 0 383.221 2.571 20 0 GFADRO Cc1cnc(Br)cc1NC(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000822737995 660353298 /nfs/dbraw/zinc/35/32/98/660353298.db2.gz YVMQUNOGFFRLOF-ZDUSSCGKSA-N 1 0 383.290 2.527 20 0 GFADRO O=C([C@H](O)c1ccc(Cl)c(Cl)c1)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000822836704 660355593 /nfs/dbraw/zinc/35/55/93/660355593.db2.gz KEWZWMYSUPKHCG-RHSMWYFYSA-N 1 0 387.307 2.740 20 0 GFADRO CCC[N@@H+]1CC[C@@H](NC(=O)N(C)C[C@H](O)c2cccc(Br)c2)C1 ZINC000823045617 660360344 /nfs/dbraw/zinc/36/03/44/660360344.db2.gz YSOMTPHOWDPWIR-CVEARBPZSA-N 1 0 384.318 2.608 20 0 GFADRO O=S(=O)(Cc1noc([C@H]2C[C@]23CC[NH2+]C3)n1)c1cc(Cl)ccc1Cl ZINC000822901216 660357326 /nfs/dbraw/zinc/35/73/26/660357326.db2.gz PGQKLIBKIVTIFY-BMIGLBTASA-N 1 0 388.276 2.817 20 0 GFADRO COc1ccc(Br)cc1-c1noc(-c2cn(CCCC[NH3+])nn2)n1 ZINC000822938202 660358461 /nfs/dbraw/zinc/35/84/61/660358461.db2.gz VZMVWJSSKDGOCJ-UHFFFAOYSA-N 1 0 393.245 2.505 20 0 GFADRO C[C@@H]1[NH2+]CC[C@@H]1c1nc(Cc2cc(Br)c3c(c2)OCCO3)no1 ZINC000822947318 660358735 /nfs/dbraw/zinc/35/87/35/660358735.db2.gz QSKRAPNIWQZJOO-ONGXEEELSA-N 1 0 380.242 2.660 20 0 GFADRO Cc1cc(Br)ccc1-c1noc(-c2cn([C@@H]3CCC[NH2+]C3)nn2)n1 ZINC000823069291 660360872 /nfs/dbraw/zinc/36/08/72/660360872.db2.gz LUYDVBUHNALVBF-GFCCVEGCSA-N 1 0 389.257 2.991 20 0 GFADRO Ic1ccc(OCc2noc([C@H]3C[C@]34CC[NH2+]C4)n2)cc1 ZINC000823167997 660363722 /nfs/dbraw/zinc/36/37/22/660363722.db2.gz PGGSKWKOQBFHQL-DOMZBBRYSA-N 1 0 397.216 2.720 20 0 GFADRO CC(C)[C@H](c1nc(CNC(=O)c2ccc(Br)cc2)no1)[C@@H](C)[NH3+] ZINC000823200432 660364973 /nfs/dbraw/zinc/36/49/73/660364973.db2.gz VKFUBJKRKGZBKJ-YGRLFVJLSA-N 1 0 381.274 2.849 20 0 GFADRO CN(CC[NH+](C)C)c1ccc(Br)cc1NC(=O)CC1(C)COC1 ZINC000823284404 660367344 /nfs/dbraw/zinc/36/73/44/660367344.db2.gz OEVOOPAUYHUDDX-UHFFFAOYSA-N 1 0 384.318 2.812 20 0 GFADRO Cc1ccc(NC(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)nc1Br ZINC000823283408 660367370 /nfs/dbraw/zinc/36/73/70/660367370.db2.gz ZXLJVGBPDYRZPH-ZDUSSCGKSA-N 1 0 383.290 2.527 20 0 GFADRO CCS(=O)(=O)C[C@H](C)[N@H+](C)C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000823453654 660372800 /nfs/dbraw/zinc/37/28/00/660372800.db2.gz WBUVFSYWSGNWJU-OWCLPIDISA-N 1 0 376.563 2.777 20 0 GFADRO COC(=O)[C@@H]1C[N@H+](CC[C@H]2CCOC2=O)C[C@H]1c1ccc(Br)cc1 ZINC000823491963 660373532 /nfs/dbraw/zinc/37/35/32/660373532.db2.gz DOVVTPDZEDVPRN-CWRNSKLLSA-N 1 0 396.281 2.591 20 0 GFADRO Cc1c(Br)nccc1NC(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000823572720 660375314 /nfs/dbraw/zinc/37/53/14/660375314.db2.gz ZRHDLSHCYNPADJ-ZDUSSCGKSA-N 1 0 383.290 2.527 20 0 GFADRO CC(C)[C@H](CNC(=O)OC(C)(C)C)C[NH2+][C@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000823911392 660382817 /nfs/dbraw/zinc/38/28/17/660382817.db2.gz GWOMKXZITJZKPB-JYJNAYRXSA-N 1 0 376.563 2.729 20 0 GFADRO C[C@H](C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)c1ccc(I)cc1 ZINC000824276585 660388828 /nfs/dbraw/zinc/38/88/28/660388828.db2.gz ZTHMNHDJVGTLQF-SLEUVZQESA-N 1 0 386.277 2.851 20 0 GFADRO O=C1OCCN1C[C@@H]1CC[N@@H+](Cc2cc(Br)cc3c2OCC3)C1 ZINC000824455836 660392511 /nfs/dbraw/zinc/39/25/11/660392511.db2.gz YOWZTDAPDHNUSM-GFCCVEGCSA-N 1 0 381.270 2.658 20 0 GFADRO CC(C)(C[NH+]1CCOCC1)C(=O)NC[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC000824694588 660399431 /nfs/dbraw/zinc/39/94/31/660399431.db2.gz WOXIRDFLVJJHOU-HNNXBMFYSA-N 1 0 375.296 2.501 20 0 GFADRO CC(C)c1nn(C)c(Cl)c1C[NH2+]CCn1cc(Br)ccc1=O ZINC000824544015 660396386 /nfs/dbraw/zinc/39/63/86/660396386.db2.gz SDXOUDPMOJCZTC-UHFFFAOYSA-N 1 0 387.709 2.911 20 0 GFADRO Cc1c(Br)cncc1C[N@H+]1CCC[C@H]1C[C@@H](O)c1cnn(C)c1 ZINC000824950302 660406108 /nfs/dbraw/zinc/40/61/08/660406108.db2.gz RFWWSRXXDMXWAU-DOTOQJQBSA-N 1 0 379.302 2.974 20 0 GFADRO CCOC(=O)C(F)(F)[C@@H]1CC[C@@H]([NH2+]Cc2nn(C)cc2Br)C1 ZINC000824780532 660401870 /nfs/dbraw/zinc/40/18/70/660401870.db2.gz SBXGRQATHZZTGL-NXEZZACHSA-N 1 0 380.233 2.639 20 0 GFADRO Cc1cc(Br)cc(CN2CC[NH+]([C@H]3CCNC(=O)CC3)CC2)c1 ZINC000825148064 660412366 /nfs/dbraw/zinc/41/23/66/660412366.db2.gz PDKXCZWSAMVHGD-QGZVFWFLSA-N 1 0 380.330 2.544 20 0 GFADRO Cn1nccc1[C@H]1C[C@@H]([NH2+]Cc2nc3ccccn3c2Br)CCO1 ZINC000825045222 660408506 /nfs/dbraw/zinc/40/85/06/660408506.db2.gz CMNQLBITUBNVOW-SWLSCSKDSA-N 1 0 390.285 2.840 20 0 GFADRO O=C(N[C@H]1CC[N@@H+](C2CCCCC2)C1)c1cc(Br)cn2ncnc12 ZINC000825341081 660421341 /nfs/dbraw/zinc/42/13/41/660421341.db2.gz XVTBAOVUDMBUAI-ZDUSSCGKSA-N 1 0 392.301 2.629 20 0 GFADRO C[C@@]1(C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)CC1(Br)Br ZINC000825555564 660433118 /nfs/dbraw/zinc/43/31/18/660433118.db2.gz IQKRRHYMNBAIOK-PWSUYJOCSA-N 1 0 380.124 2.579 20 0 GFADRO C[N@@H+]1CCC[C@@H]2CN(c3ccc(Br)cc3-c3nn[nH]n3)CC[C@H]21 ZINC000826033505 660448195 /nfs/dbraw/zinc/44/81/95/660448195.db2.gz FSFVMTPPPSIGRB-BXUZGUMPSA-N 1 0 377.290 2.550 20 0 GFADRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)c1c(Cl)nc2cc(Cl)ccn21 ZINC000826539824 660456237 /nfs/dbraw/zinc/45/62/37/660456237.db2.gz ZKSMCCLNHRRCRG-ZDUSSCGKSA-N 1 0 385.295 2.824 20 0 GFADRO CN1Cc2ccccc2[C@@H]1CNC(=O)c1c(Br)nc2n1CCC2 ZINC000826690818 660461351 /nfs/dbraw/zinc/46/13/51/660461351.db2.gz UTRGCAIAQJKYQW-ZDUSSCGKSA-N 1 0 375.270 2.508 20 0 GFADRO COCC[N@H+]1[C@H](C)CN(C(=O)N[C@H](C)c2ccc(Br)cn2)C[C@@H]1C ZINC000827028869 660475940 /nfs/dbraw/zinc/47/59/40/660475940.db2.gz UHLJZCZFGKMDAO-HZSPNIEDSA-N 1 0 399.333 2.656 20 0 GFADRO Cc1cccc(C(=O)N2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)c1I ZINC000827339551 660489998 /nfs/dbraw/zinc/48/99/98/660489998.db2.gz UEUXJWCDDJLIJO-GXTWGEPZSA-N 1 0 384.261 2.766 20 0 GFADRO COc1cc(/C=C\C(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)cc(Br)c1O ZINC000827348030 660490671 /nfs/dbraw/zinc/49/06/71/660490671.db2.gz ZIDWGPMYIDRHOI-REJHYOMKSA-N 1 0 395.297 2.729 20 0 GFADRO C[N@@H+]1CC[C@H]2CN(C(=O)Cc3noc4ccc(Br)cc43)CC[C@H]21 ZINC000827245251 660485985 /nfs/dbraw/zinc/48/59/85/660485985.db2.gz JJYRKOUSWBKJLW-XHDPSFHLSA-N 1 0 378.270 2.685 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3c(O)cnc4c(Br)cccc43)CC[C@@H]21 ZINC000827255955 660486278 /nfs/dbraw/zinc/48/62/78/660486278.db2.gz VAPYRZNIMXZVQO-RISCZKNCSA-N 1 0 390.281 2.869 20 0 GFADRO COc1cc(Br)ccc1CCC(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000827286427 660487854 /nfs/dbraw/zinc/48/78/54/660487854.db2.gz GVACORQUPYWDOZ-HOCLYGCPSA-N 1 0 381.314 2.943 20 0 GFADRO CN(C(=O)[C@]1(C)CC1(Br)Br)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000827293349 660487936 /nfs/dbraw/zinc/48/79/36/660487936.db2.gz YAVOJAILFFAIRK-PWSUYJOCSA-N 1 0 380.124 2.578 20 0 GFADRO O=C(NCC1([NH+]2CCSCC2)CCCCC1)c1[nH]cnc1C(F)(F)F ZINC000827370937 660492425 /nfs/dbraw/zinc/49/24/25/660492425.db2.gz MSYAJBGCYIPLHY-UHFFFAOYSA-N 1 0 376.448 2.910 20 0 GFADRO Cc1c(Br)cccc1CC(=O)N1CCC([NH+]2CCN(C)CC2)CC1 ZINC000827440439 660495542 /nfs/dbraw/zinc/49/55/42/660495542.db2.gz YPJFECMHYMRALS-UHFFFAOYSA-N 1 0 394.357 2.538 20 0 GFADRO Cc1ccc(C(=O)N2CCC([NH+]3CCN(C)CC3)CC2)cc1Br ZINC000827449582 660496511 /nfs/dbraw/zinc/49/65/11/660496511.db2.gz GCUODQQBHIQZFB-UHFFFAOYSA-N 1 0 380.330 2.610 20 0 GFADRO Cc1ccc(Br)cc1C(=O)N1CCC([NH+]2CCN(C)CC2)CC1 ZINC000827456989 660497293 /nfs/dbraw/zinc/49/72/93/660497293.db2.gz SOOZQAXFXQLXCX-UHFFFAOYSA-N 1 0 380.330 2.610 20 0 GFADRO C[C@H](CS(C)(=O)=O)[N@H+](C)CCCC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000827920473 660523045 /nfs/dbraw/zinc/52/30/45/660523045.db2.gz ZWACLBYPQHDECX-OAHLLOKOSA-N 1 0 376.563 2.779 20 0 GFADRO C[C@H](NC(=O)c1c(Br)nc2n1CCC2)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000828145565 660537536 /nfs/dbraw/zinc/53/75/36/660537536.db2.gz MUMYXJOMEASCHS-STQMWFEESA-N 1 0 395.345 2.975 20 0 GFADRO CC(C)c1nccn1CCNC(=O)[C@@](C)([NH3+])c1ccc(Br)cc1 ZINC000828965455 660577160 /nfs/dbraw/zinc/57/71/60/660577160.db2.gz LQPHVZYBAHEWII-KRWDZBQOSA-N 1 0 379.302 2.759 20 0 GFADRO Cn1nc(C(=O)NC[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)cc1Br ZINC000829019706 660578865 /nfs/dbraw/zinc/57/88/65/660578865.db2.gz MSQJELYJXNWUKZ-GOSISDBHSA-N 1 0 391.313 2.967 20 0 GFADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@]2(C)CC2(Br)Br)C1 ZINC000829208403 660585120 /nfs/dbraw/zinc/58/51/20/660585120.db2.gz PORJAXJCOHPXDA-CMPLNLGQSA-N 1 0 382.140 2.683 20 0 GFADRO CN(CC[NH+]1CC2(C1)CCOCC2)C(=O)Cc1ccccc1Br ZINC000829272554 660587420 /nfs/dbraw/zinc/58/74/20/660587420.db2.gz JZGRXGIZYCXAJM-UHFFFAOYSA-N 1 0 381.314 2.562 20 0 GFADRO CC(C)CN(CC1CC[NH+](C)CC1)C(=O)c1cc[nH]c(=O)c1Br ZINC000829588300 660601900 /nfs/dbraw/zinc/60/19/00/660601900.db2.gz FHHOIBUDJZSORH-UHFFFAOYSA-N 1 0 384.318 2.990 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)[C@@]2(C)CC2(Br)Br)C[N@@H+]1C1CC1 ZINC000829863375 660617777 /nfs/dbraw/zinc/61/77/77/660617777.db2.gz MGKNBQZVZBNOPL-KBVBSXBZSA-N 1 0 380.124 2.624 20 0 GFADRO C[NH+](C)CCn1nccc1NS(=O)(=O)/C=C\c1cccc(Br)c1 ZINC000829957736 660626074 /nfs/dbraw/zinc/62/60/74/660626074.db2.gz YMTQCFGSSOOXOU-XFFZJAGNSA-N 1 0 399.314 2.620 20 0 GFADRO C[S@](=O)CC[N@@H+]1CC[C@@H](Cc2cccc(I)c2)C1 ZINC000830515363 660660860 /nfs/dbraw/zinc/66/08/60/660660860.db2.gz VFGMEFYVCGLJII-UGSOOPFHSA-N 1 0 377.291 2.534 20 0 GFADRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cnn(C(C)(C)C)c2Br)C1 ZINC000830577157 660665049 /nfs/dbraw/zinc/66/50/49/660665049.db2.gz PLMBQDHDHCCFGF-TZMCWYRMSA-N 1 0 383.334 2.957 20 0 GFADRO Cc1ccccc1[C@H]([C@@H](C)NC(=O)c1cc(Br)n(C)n1)[NH+](C)C ZINC000830729438 660676268 /nfs/dbraw/zinc/67/62/68/660676268.db2.gz RIZIMGFDTCJLED-WBMJQRKESA-N 1 0 379.302 2.912 20 0 GFADRO Cn1nc(C(=O)Nc2cccc3c2OCC[C@H]3[NH+](C)C)cc1Br ZINC000830818314 660681688 /nfs/dbraw/zinc/68/16/88/660681688.db2.gz OBMOLAAAVKXWCY-CYBMUJFWSA-N 1 0 379.258 2.820 20 0 GFADRO Cc1cc(CNC(=O)NCCCCCC[NH3+])ccc1I ZINC000831160613 660700990 /nfs/dbraw/zinc/70/09/90/660700990.db2.gz BJRUFDLQUBZAHG-UHFFFAOYSA-N 1 0 389.281 2.918 20 0 GFADRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)c1c(Cl)nc2cc(Cl)ccn21 ZINC000832634234 660791034 /nfs/dbraw/zinc/79/10/34/660791034.db2.gz ICZGAVWQUKUOKQ-NSHDSACASA-N 1 0 385.295 2.558 20 0 GFADRO CC[NH+]1CCN(CC(C)(C)NS(=O)(=O)/C=C/c2ccccc2Cl)CC1 ZINC000832679671 660794675 /nfs/dbraw/zinc/79/46/75/660794675.db2.gz IEUDUHJPPKJBGV-NTEUORMPSA-N 1 0 385.961 2.646 20 0 GFADRO CCCN(C(=O)c1cn(-c2ccccc2Br)nn1)C1CC[NH2+]CC1 ZINC000834325309 660814457 /nfs/dbraw/zinc/81/44/57/660814457.db2.gz XVEYWFSWCFSRDM-UHFFFAOYSA-N 1 0 392.301 2.634 20 0 GFADRO C[NH+](C)C[C@]1(O)CCCN(C(=O)CCSc2nc3ccccc3s2)C1 ZINC000834570272 660825408 /nfs/dbraw/zinc/82/54/08/660825408.db2.gz ZQWADCXQUCSCAL-GOSISDBHSA-N 1 0 379.551 2.694 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCN(c2ccccc2C(N)=O)C1)c1nc(Br)cs1 ZINC000834578072 660825442 /nfs/dbraw/zinc/82/54/42/660825442.db2.gz BIFIMDLJHOCEDF-WDEREUQCSA-N 1 0 395.326 2.934 20 0 GFADRO CSC[C@H](CCO)[NH2+]Cc1nc2c(s1)CN(C(=O)OC(C)(C)C)CC2 ZINC000835039630 660839264 /nfs/dbraw/zinc/83/92/64/660839264.db2.gz HZIJENLXKXXTSQ-LBPRGKRZSA-N 1 0 387.571 2.640 20 0 GFADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]CCOCC1CCCC1 ZINC000835059699 660839793 /nfs/dbraw/zinc/83/97/93/660839793.db2.gz VWVPSEOPOPITRH-OAHLLOKOSA-N 1 0 389.949 2.501 20 0 GFADRO C[C@H](C[NH+]1CCCCC1)NC(=O)NC[C@@H](O)c1ccccc1Br ZINC000836344249 660900502 /nfs/dbraw/zinc/90/05/02/660900502.db2.gz CHNWJXVPPMUVMO-CZUORRHYSA-N 1 0 384.318 2.656 20 0 GFADRO CC(C)[N@@H+]1CC[C@H](CNC(=O)NC[C@@H](O)c2ccccc2Br)C1 ZINC000836345984 660900697 /nfs/dbraw/zinc/90/06/97/660900697.db2.gz QJOVRQCLZLINRB-CZUORRHYSA-N 1 0 384.318 2.512 20 0 GFADRO Cc1cc(Br)nc(NC(=O)NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000836759605 660938845 /nfs/dbraw/zinc/93/88/45/660938845.db2.gz VVXOFUMJOOPKKC-BETUJISGSA-N 1 0 385.306 2.773 20 0 GFADRO Cc1cc(Br)nc(NC(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)c1 ZINC000836763904 660940557 /nfs/dbraw/zinc/94/05/57/660940557.db2.gz NDQBJMJJOLAMOG-KBPBESRZSA-N 1 0 397.317 2.652 20 0 GFADRO CC(C)[C@@H](NC(=O)c1cccs1)C(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000023133173 654536382 /nfs/dbraw/zinc/53/63/82/654536382.db2.gz QXSPIUXSXIFDBR-GOEBONIOSA-N 1 0 379.551 2.983 20 0 GFADRO C[NH+](C)Cc1cccc(CNS(=O)(=O)c2cccc(Br)c2)c1 ZINC000026854488 654559975 /nfs/dbraw/zinc/55/99/75/654559975.db2.gz DKTZSHMYAQHNLJ-UHFFFAOYSA-N 1 0 383.311 2.989 20 0 GFADRO COc1ccc(C(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)cc1Br ZINC000032268529 654600604 /nfs/dbraw/zinc/60/06/04/654600604.db2.gz AYKPPQHARBPPIF-CQSZACIVSA-N 1 0 385.302 2.544 20 0 GFADRO Cc1cc(S(=O)(=O)NC[C@@H](C)[NH+]2CCCCC2)ccc1Br ZINC000040446500 654621140 /nfs/dbraw/zinc/62/11/40/654621140.db2.gz HQKCOKZFZMVTOX-CYBMUJFWSA-N 1 0 375.332 2.910 20 0 GFADRO Cc1ccc(Br)cc1S(=O)(=O)NC[C@@H](C)[NH+]1CCCCC1 ZINC000040446502 654621409 /nfs/dbraw/zinc/62/14/09/654621409.db2.gz GWKAVXOJQXDFIW-CYBMUJFWSA-N 1 0 375.332 2.910 20 0 GFADRO O=C(NCC[NH+]1CCCC1)c1ccc(Cl)c(I)c1 ZINC000042848786 654645847 /nfs/dbraw/zinc/64/58/47/654645847.db2.gz TUDFZKZBFJUMOF-UHFFFAOYSA-N 1 0 378.641 2.770 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)NNc1c(F)c(F)nc(F)c1F)c1cccs1 ZINC000043145738 654647899 /nfs/dbraw/zinc/64/78/99/654647899.db2.gz SVNVMVCZNBPHPY-ZETCQYMHSA-N 1 0 377.367 2.629 20 0 GFADRO CC[NH+]1CCN([C@@H](C)CNC(=S)Nc2cccc(Br)c2)CC1 ZINC000044080170 654653715 /nfs/dbraw/zinc/65/37/15/654653715.db2.gz MJINGFLSUHCESQ-ZDUSSCGKSA-N 1 0 385.375 2.762 20 0 GFADRO O=C(CCNC(=O)Nc1ccc(Br)cc1)NCC[NH+]1CCCCC1 ZINC000044529603 654659282 /nfs/dbraw/zinc/65/92/82/654659282.db2.gz PPSHIXHJBCANRR-UHFFFAOYSA-N 1 0 397.317 2.563 20 0 GFADRO O=C(COc1ccc(Br)cc1)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000045959456 654672940 /nfs/dbraw/zinc/67/29/40/654672940.db2.gz DNGSHMHLSDLXBG-KRWDZBQOSA-N 1 0 397.313 2.541 20 0 GFADRO O=C(c1cc(Br)ccc1F)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000046048474 654674346 /nfs/dbraw/zinc/67/43/46/654674346.db2.gz LEBHEJPYNMGYPU-AWEZNQCLSA-N 1 0 385.277 2.915 20 0 GFADRO O=C(c1cc(F)ccc1Br)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000046046678 654674390 /nfs/dbraw/zinc/67/43/90/654674390.db2.gz ZXZHGXOSUVOYDH-CQSZACIVSA-N 1 0 385.277 2.915 20 0 GFADRO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1c(Br)nc2n1CCCC2 ZINC000837318188 660986085 /nfs/dbraw/zinc/98/60/85/660986085.db2.gz XFVJTYXVHXROKD-ZDUSSCGKSA-N 1 0 383.334 2.976 20 0 GFADRO CC[NH+](CC)CCCNC(=O)N(C)C[C@H](O)c1ccccc1Br ZINC000837325490 660986687 /nfs/dbraw/zinc/98/66/87/660986687.db2.gz BHROGAHKHWTLQL-INIZCTEOSA-N 1 0 386.334 2.856 20 0 GFADRO C[NH+](C)CCNC(=S)NNC(=O)c1cc2c(s1)CC[C@H](C(C)(C)C)C2 ZINC000048416491 654706530 /nfs/dbraw/zinc/70/65/30/654706530.db2.gz DDBGGQVWBFUPSV-ZDUSSCGKSA-N 1 0 382.599 2.570 20 0 GFADRO CC[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000048418990 654706715 /nfs/dbraw/zinc/70/67/15/654706715.db2.gz WJZRCWOUEXXKJA-AWEZNQCLSA-N 1 0 387.933 2.793 20 0 GFADRO CC[NH+](CC)CCCNC(=O)C(=O)Nc1ccc2nc(SC)sc2c1 ZINC000048669107 654711164 /nfs/dbraw/zinc/71/11/64/654711164.db2.gz KGKSHKGFYLXDSG-UHFFFAOYSA-N 1 0 380.539 2.805 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH2+][C@H]1CCS(=O)(=O)C1 ZINC000048686470 654711473 /nfs/dbraw/zinc/71/14/73/654711473.db2.gz PSVQGEJPGXUYHI-AWEZNQCLSA-N 1 0 398.326 2.528 20 0 GFADRO C[C@H](NS(=O)(=O)c1ccc(Br)cc1Cl)[C@H]1CCC[NH2+]C1 ZINC000050163283 654718081 /nfs/dbraw/zinc/71/80/81/654718081.db2.gz SMJJRSYAXKMKJU-UWVGGRQHSA-N 1 0 381.723 2.769 20 0 GFADRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)c1c(Br)nc2n1CCCC2 ZINC000837403190 660993733 /nfs/dbraw/zinc/99/37/33/660993733.db2.gz BFYFPZRNMTZSQA-CHWSQXEVSA-N 1 0 383.334 2.975 20 0 GFADRO O=S(=O)(NCC[NH2+]Cc1cc(Br)ccc1F)c1cccs1 ZINC000122284517 654732339 /nfs/dbraw/zinc/73/23/39/654732339.db2.gz JCPDTVUYWKTZEB-UHFFFAOYSA-N 1 0 393.303 2.718 20 0 GFADRO COCCC[NH+]1CCC(NC(=O)Cc2ccc(Br)c(F)c2)CC1 ZINC000122335972 654734520 /nfs/dbraw/zinc/73/45/20/654734520.db2.gz XPRJJKGNHNLEMW-UHFFFAOYSA-N 1 0 387.293 2.748 20 0 GFADRO O=C(c1c(Br)nc2n1CCCC2)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000837432502 660996593 /nfs/dbraw/zinc/99/65/93/660996593.db2.gz UGBQGOWPXLTXIU-ZDUSSCGKSA-N 1 0 381.318 2.540 20 0 GFADRO C[N@@H+]1CCC[C@H]2CN(S(=O)(=O)c3cc(Br)ccc3F)CC[C@@H]21 ZINC000122353739 654735245 /nfs/dbraw/zinc/73/52/45/654735245.db2.gz DWGRVLKANPEZTB-FZMZJTMJSA-N 1 0 391.306 2.693 20 0 GFADRO CC(C)C[NH+]1CCN(C(=O)Cc2cc3c(cc2Br)OCCO3)CC1 ZINC000052840502 654740486 /nfs/dbraw/zinc/74/04/86/654740486.db2.gz CBSGZGAJQULLGQ-UHFFFAOYSA-N 1 0 397.313 2.563 20 0 GFADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1c(Br)nc2n1CCCC2 ZINC000837460222 660999197 /nfs/dbraw/zinc/99/91/97/660999197.db2.gz XVDDITLSVAKORU-OLZOCXBDSA-N 1 0 381.318 2.681 20 0 GFADRO Cc1cc(C)c(Br)c(C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)c1 ZINC000123033344 654750794 /nfs/dbraw/zinc/75/07/94/654750794.db2.gz ICXSVCKEKLXXHW-CQSZACIVSA-N 1 0 382.346 2.679 20 0 GFADRO C[C@H](CNC(=O)N1CCN(Cc2ccc(Cl)s2)CC1)C[NH+]1CCCC1 ZINC000123033116 654750805 /nfs/dbraw/zinc/75/08/05/654750805.db2.gz PJVLXVXMSBTPLZ-OAHLLOKOSA-N 1 0 384.977 2.961 20 0 GFADRO COCC[NH+]1CCC(NC(=O)Cc2cc(Cl)ccc2Br)CC1 ZINC000123208051 654753266 /nfs/dbraw/zinc/75/32/66/654753266.db2.gz MDNBXXCXSYIUJK-UHFFFAOYSA-N 1 0 389.721 2.872 20 0 GFADRO NC(=O)C1([NH2+]CC(=O)Nc2ccc(OC(F)F)c(Cl)c2)CCCCC1 ZINC000123234332 654753727 /nfs/dbraw/zinc/75/37/27/654753727.db2.gz XHGKBRNKHCTXMT-UHFFFAOYSA-N 1 0 375.803 2.658 20 0 GFADRO CCC(=O)N[C@H](CCSC)C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000054060898 654755574 /nfs/dbraw/zinc/75/55/74/654755574.db2.gz TXDGUISZQRPGEK-CABCVRRESA-N 1 0 383.583 2.649 20 0 GFADRO COc1cc(Br)c(S(=O)(=O)NC[C@H]2CCCC[NH2+]2)cc1Cl ZINC000123437260 654755808 /nfs/dbraw/zinc/75/58/08/654755808.db2.gz QKZTUMUGVKCXRK-SECBINFHSA-N 1 0 397.722 2.532 20 0 GFADRO O=C(Cc1ccc(F)c(Br)c1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000054131184 654756922 /nfs/dbraw/zinc/75/69/22/654756922.db2.gz WFUUPSRVKDGNFB-UHFFFAOYSA-N 1 0 378.245 2.875 20 0 GFADRO C[N@H+](CCC(=O)Nc1cccc(C(F)(F)F)c1)CC(C)(C)S(C)(=O)=O ZINC000123744253 654762417 /nfs/dbraw/zinc/76/24/17/654762417.db2.gz CPUZIBOYBNYGAW-UHFFFAOYSA-N 1 0 380.432 2.789 20 0 GFADRO O=c1c(Br)nn(C[N@H+](C[C@H]2CCOC2)C2CC2)c2ccccc12 ZINC000123764180 654763013 /nfs/dbraw/zinc/76/30/13/654763013.db2.gz OXGQRXZNXONJOY-GFCCVEGCSA-N 1 0 378.270 2.617 20 0 GFADRO O=C(c1cc2c(c(Br)c1)OCO2)N1CCN(c2cc[nH+]cc2)CC1 ZINC000055134940 654769229 /nfs/dbraw/zinc/76/92/29/654769229.db2.gz PPXRPKOBQRKICK-UHFFFAOYSA-N 1 0 390.237 2.535 20 0 GFADRO CN(C(=O)[C@@H]1CSCCS1)[C@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000124519508 654777075 /nfs/dbraw/zinc/77/70/75/654777075.db2.gz JUYZYQHUAGLDNN-SQNIBIBYSA-N 1 0 385.643 2.631 20 0 GFADRO Cc1[nH]c(=O)c(C(=O)N2CCC[C@H]2C[NH+]2CCCCC2)cc1Br ZINC000125934768 654805603 /nfs/dbraw/zinc/80/56/03/654805603.db2.gz TUGZQKLDCQGTHQ-ZDUSSCGKSA-N 1 0 382.302 2.949 20 0 GFADRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Cc2ccccc2I)C1 ZINC000126664402 654818184 /nfs/dbraw/zinc/81/81/84/654818184.db2.gz QVMSWCPJVQSBRG-GDBMZVCRSA-N 1 0 398.288 2.776 20 0 GFADRO COC(=O)C[C@@H](C)C(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000127428273 654829874 /nfs/dbraw/zinc/82/98/74/654829874.db2.gz HXKUJGFXTVJZQV-CYBMUJFWSA-N 1 0 385.302 2.539 20 0 GFADRO CCC[NH+]1CCN(C(=O)Cc2csc(NC(=O)c3cccs3)n2)CC1 ZINC000060568788 654831734 /nfs/dbraw/zinc/83/17/34/654831734.db2.gz BLSFREXYVXNRGF-UHFFFAOYSA-N 1 0 378.523 2.554 20 0 GFADRO CC[N@H+](C)C[C@H]1CCN(S(=O)(=O)c2cc(C)ccc2Br)C1 ZINC000127937170 654837876 /nfs/dbraw/zinc/83/78/76/654837876.db2.gz UOIFAVSSJXPTLZ-CYBMUJFWSA-N 1 0 375.332 2.720 20 0 GFADRO Cc1sc(=O)n(CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)c1C ZINC000061285699 654838202 /nfs/dbraw/zinc/83/82/02/654838202.db2.gz OODUCTLHZCIQKT-UHFFFAOYSA-N 1 0 377.535 2.714 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000128384659 654845312 /nfs/dbraw/zinc/84/53/12/654845312.db2.gz ZXUDABNJXWFFRW-RBSFLKMASA-N 1 0 384.567 2.737 20 0 GFADRO COc1ccc(Br)cc1C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000062371894 654845394 /nfs/dbraw/zinc/84/53/94/654845394.db2.gz MTESGCVUUOMEKX-UHFFFAOYSA-N 1 0 397.313 2.642 20 0 GFADRO CC(C)[N@@H+]1CC[C@H](CNC(=O)NCCOc2ccc(Br)cc2)C1 ZINC000062412171 654845769 /nfs/dbraw/zinc/84/57/69/654845769.db2.gz QFYKFPVRKGTXJU-CQSZACIVSA-N 1 0 384.318 2.857 20 0 GFADRO C[NH+](C)C[C@H]1CCCCN1C(=O)Cc1ccccc1I ZINC000128848300 654852779 /nfs/dbraw/zinc/85/27/79/654852779.db2.gz NQNLKJXOMXEELM-CQSZACIVSA-N 1 0 386.277 2.776 20 0 GFADRO C[C@@H]1C[N@@H+](CC2CCN(C(=O)CSCc3cscn3)CC2)C[C@H](C)O1 ZINC000129171226 654858796 /nfs/dbraw/zinc/85/87/96/654858796.db2.gz IVQKWOLAFZCJKD-GASCZTMLSA-N 1 0 383.583 2.724 20 0 GFADRO C[C@]1(CNS(=O)(=O)c2ccc(Br)cc2Cl)CCC[NH2+]C1 ZINC000129188799 654859725 /nfs/dbraw/zinc/85/97/25/654859725.db2.gz WJIPHUBHCULWNN-ZDUSSCGKSA-N 1 0 381.723 2.771 20 0 GFADRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc(I)c1)[C@@H]1CCOC1 ZINC000266281679 654868813 /nfs/dbraw/zinc/86/88/13/654868813.db2.gz GPIVTYNXUXRNHH-GRYCIOLGSA-N 1 0 388.249 2.633 20 0 GFADRO CN(CC(=O)NC1CC[NH+](C2CC2)CC1)Cc1csc(Br)c1 ZINC000064515342 654871231 /nfs/dbraw/zinc/87/12/31/654871231.db2.gz CNPYCFIPGTVJJL-UHFFFAOYSA-N 1 0 386.359 2.685 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)c2cc(Br)cnc2Br)C1 ZINC000911824391 664257590 /nfs/dbraw/zinc/25/75/90/664257590.db2.gz NSOFNHTUXFIUKN-IUCAKERBSA-N 1 0 391.107 2.806 20 0 GFADRO C[NH+](C)CCCNC(=S)NC1CCN(c2nc3ccccc3s2)CC1 ZINC000065710857 654885419 /nfs/dbraw/zinc/88/54/19/654885419.db2.gz SWSQNOGABQXVEM-UHFFFAOYSA-N 1 0 377.583 2.681 20 0 GFADRO C[C@H](CNC(=O)N1CC[C@@H](C[NH+](C)C)C1)Oc1ccccc1Br ZINC000130254767 654886254 /nfs/dbraw/zinc/88/62/54/654886254.db2.gz DPJKRSDNBCHHRH-KGLIPLIRSA-N 1 0 384.318 2.810 20 0 GFADRO CCOC(=O)CC1CCN(Cc2ccc(S(=O)(=O)C(F)F)cc2)CC1 ZINC000130361057 654887387 /nfs/dbraw/zinc/88/73/87/654887387.db2.gz SKJMCIHOJASRCM-UHFFFAOYSA-N 1 0 375.437 2.848 20 0 GFADRO COc1ccc(S(=O)(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c(Cl)c1Cl ZINC000266693446 654890019 /nfs/dbraw/zinc/89/00/19/654890019.db2.gz CRYPBUIIOQCFGT-MNOVXSKESA-N 1 0 379.309 2.859 20 0 GFADRO COc1ccc(C[N@@H+]2CCC[C@H](CS(N)(=O)=O)C2)cc1SC(F)(F)F ZINC000266718091 654890865 /nfs/dbraw/zinc/89/08/65/654890865.db2.gz GUGYRQOAEWDIJD-LBPRGKRZSA-N 1 0 398.472 2.808 20 0 GFADRO Cc1ccc(S(=O)(=O)NCC[NH2+]Cc2ccc(Br)cc2)cc1 ZINC000065977290 654891826 /nfs/dbraw/zinc/89/18/26/654891826.db2.gz QHAZCTVJPHDPIY-UHFFFAOYSA-N 1 0 383.311 2.826 20 0 GFADRO C[C@H](CNC(=S)Nc1cccc(Br)c1)C[NH+]1CCN(C)CC1 ZINC000066007814 654892748 /nfs/dbraw/zinc/89/27/48/654892748.db2.gz LLGPCNQYPLLHRH-CYBMUJFWSA-N 1 0 385.375 2.619 20 0 GFADRO OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1Nc1ncc(Br)cn1 ZINC000267018580 654905139 /nfs/dbraw/zinc/90/51/39/654905139.db2.gz JKDWVQUABSEKMY-HOCLYGCPSA-N 1 0 377.286 2.534 20 0 GFADRO Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1CNC[C@](C)(O)C[NH+](C)C ZINC000131542116 654909687 /nfs/dbraw/zinc/90/96/87/654909687.db2.gz OJNGLNFAGMKIAB-SFHVURJKSA-N 1 0 385.339 2.949 20 0 GFADRO CC[NH+]1CCC(CCNS(=O)(=O)c2ccc(NC(C)=O)c(Cl)c2)CC1 ZINC000267196235 654916537 /nfs/dbraw/zinc/91/65/37/654916537.db2.gz MGYSOJCZZIDGRO-UHFFFAOYSA-N 1 0 387.933 2.699 20 0 GFADRO C[C@H](SCC(=O)NC[C@@]1([NH+](C)C)CCSC1)c1nc2ccccc2[nH]1 ZINC000267222838 654918425 /nfs/dbraw/zinc/91/84/25/654918425.db2.gz IJWMBHMXTNDKQA-UGSOOPFHSA-N 1 0 378.567 2.911 20 0 GFADRO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)c1c(F)cccc1Br ZINC000267268578 654921183 /nfs/dbraw/zinc/92/11/83/654921183.db2.gz QLZCUPGDHIHFCN-UHFFFAOYSA-N 1 0 386.309 2.686 20 0 GFADRO [NH3+]C1CCC(NC(=O)CCC[S@@](=O)c2ccc(Br)cc2)CC1 ZINC000131900734 654921468 /nfs/dbraw/zinc/92/14/68/654921468.db2.gz GQFXXOSGYAALNB-PZEOVBFPSA-N 1 0 387.343 2.723 20 0 GFADRO O[C@H](C[NH2+]Cc1ccsc1)COc1ccc(I)cc1 ZINC000066992944 654924723 /nfs/dbraw/zinc/92/47/23/654924723.db2.gz CVKHWHYIZVEMTF-CYBMUJFWSA-N 1 0 389.258 2.882 20 0 GFADRO Cc1cc(CCC(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)ccc1Br ZINC000267581963 654936144 /nfs/dbraw/zinc/93/61/44/654936144.db2.gz LMPBRLMSRWNHSZ-HNNXBMFYSA-N 1 0 396.373 2.690 20 0 GFADRO Cc1nn(C)c(Cl)c1S(=O)(=O)NC[C@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000067404939 654938229 /nfs/dbraw/zinc/93/82/29/654938229.db2.gz HDIZEDNRGBNUKP-OAHLLOKOSA-N 1 0 388.965 2.705 20 0 GFADRO CC[C@@H](Cc1ccccc1Br)C(=O)NCCN1CC[NH+](CC)CC1 ZINC000132519332 654940051 /nfs/dbraw/zinc/94/00/51/654940051.db2.gz WPSVCRGQICHXNR-INIZCTEOSA-N 1 0 396.373 2.772 20 0 GFADRO C[C@H]1CCC[N@H+](CC(=O)N(C)Cc2cc(Br)cs2)[C@@H]1CO ZINC000132912827 654949363 /nfs/dbraw/zinc/94/93/63/654949363.db2.gz VMIGINUIXVWMEZ-SMDDNHRTSA-N 1 0 375.332 2.562 20 0 GFADRO NC(=O)C1(C[NH2+]Cc2nc(-c3ccc(Br)cc3)c[nH]2)CCCC1 ZINC000267935069 654953120 /nfs/dbraw/zinc/95/31/20/654953120.db2.gz NZKYIDZGWVJMDF-UHFFFAOYSA-N 1 0 377.286 2.975 20 0 GFADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)Nc1ccc(C)cc1Br ZINC000133351690 654961336 /nfs/dbraw/zinc/96/13/36/654961336.db2.gz IDAUDEPBSZBVGW-KGLIPLIRSA-N 1 0 394.313 2.781 20 0 GFADRO O=C(NCc1n[nH]cc1Br)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000068395531 654961793 /nfs/dbraw/zinc/96/17/93/654961793.db2.gz ATVXBMWMSMEMIT-AWEZNQCLSA-N 1 0 377.286 2.701 20 0 GFADRO CC(C)[N@@H+]1CCCN(C(=O)c2cc(Br)c3c(c2)OCCO3)CC1 ZINC000068776697 654967854 /nfs/dbraw/zinc/96/78/54/654967854.db2.gz KNXBFKZDQGMRTG-UHFFFAOYSA-N 1 0 383.286 2.777 20 0 GFADRO CC(C)n1cc(Br)cc1C(=O)NCC1(O)CC[NH+](C(C)C)CC1 ZINC000268417793 654970532 /nfs/dbraw/zinc/97/05/32/654970532.db2.gz AHQPHEPJJGICBF-UHFFFAOYSA-N 1 0 386.334 2.797 20 0 GFADRO COc1cccc([C@H](C[NH2+][C@H](C)Cn2cc(Br)cn2)N(C)C)c1 ZINC000133685528 654970775 /nfs/dbraw/zinc/97/07/75/654970775.db2.gz REHFHNQMDQWLQD-DYVFJYSZSA-N 1 0 381.318 2.935 20 0 GFADRO O=S(=O)(CC[NH2+]Cc1csc(Br)c1)NCc1ccccc1 ZINC000069065157 654972330 /nfs/dbraw/zinc/97/23/30/654972330.db2.gz HWWPYSFANHTQBL-UHFFFAOYSA-N 1 0 389.340 2.720 20 0 GFADRO CC[NH+](CC)CCN(Cc1cccs1)C(=O)[C@@H](C)Sc1nncn1C ZINC000268545326 654977400 /nfs/dbraw/zinc/97/74/00/654977400.db2.gz SJXDKEISDBKDMX-CQSZACIVSA-N 1 0 381.571 2.728 20 0 GFADRO CC[N@@H+](Cc1cc(Br)ccc1F)C[C@H](O)COC[C@@H]1CCCO1 ZINC000069520704 654982701 /nfs/dbraw/zinc/98/27/01/654982701.db2.gz NDWWAXITBUOAJS-HOTGVXAUSA-N 1 0 390.293 2.967 20 0 GFADRO C[C@@H]([NH2+]C[C@@H]1CCS(=O)(=O)C1)c1ccc(OC(F)F)cc1OC(F)F ZINC000268775148 654986241 /nfs/dbraw/zinc/98/62/41/654986241.db2.gz VGCUAMYQHIUQFV-ZJUUUORDSA-N 1 0 385.379 2.975 20 0 GFADRO COCC[N@H+](C)CCCNC(=O)N[C@H]1CCc2c1cccc2Br ZINC000069773559 654986242 /nfs/dbraw/zinc/98/62/42/654986242.db2.gz KHQNTUUDSKCEJZ-INIZCTEOSA-N 1 0 384.318 2.704 20 0 GFADRO O[C@H](C[N@@H+]1CCC[C@H](CN2CCOCC2)C1)c1ccc(Br)cc1 ZINC000069858046 654987470 /nfs/dbraw/zinc/98/74/70/654987470.db2.gz PVVSHVKUIJFROY-CRAIPNDOSA-N 1 0 383.330 2.527 20 0 GFADRO C[C@H](Cn1cc(Br)cn1)[NH2+]Cc1ccnc(OC2CCOCC2)c1 ZINC000268845100 654989010 /nfs/dbraw/zinc/98/90/10/654989010.db2.gz BBTIYUZVPFPIEX-CYBMUJFWSA-N 1 0 395.301 2.777 20 0 GFADRO CSCC[C@H]1NC(=S)N(CC2([NH+]3CCSCC3)CCCCC2)C1=O ZINC000069913168 654989234 /nfs/dbraw/zinc/98/92/34/654989234.db2.gz ZECLNJOTSHJYHK-CQSZACIVSA-N 1 0 387.640 2.577 20 0 GFADRO CC[C@@](C)(CCO)[NH2+]Cc1cc(I)c(OC)c(OC)c1 ZINC000134460825 654993659 /nfs/dbraw/zinc/99/36/59/654993659.db2.gz MGICWAUSCZWVBJ-HNNXBMFYSA-N 1 0 393.265 2.949 20 0 GFADRO O=S(=O)(Cc1ccccc1Cl)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000268993370 654994417 /nfs/dbraw/zinc/99/44/17/654994417.db2.gz VPMZINXBDMDTPH-MSOLQXFVSA-N 1 0 386.945 2.527 20 0 GFADRO O=S(=O)(Cc1ccccc1Cl)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000268993381 654994507 /nfs/dbraw/zinc/99/45/07/654994507.db2.gz VPMZINXBDMDTPH-ZWKOTPCHSA-N 1 0 386.945 2.527 20 0 GFADRO O=C(Nc1ccc(Br)cn1)c1cccc(NC(=O)[C@@H]2CCC[NH2+]2)c1 ZINC000070814739 654995538 /nfs/dbraw/zinc/99/55/38/654995538.db2.gz QQGRIDSJESJKRC-AWEZNQCLSA-N 1 0 389.253 2.787 20 0 GFADRO Cc1c([C@@H](C)[NH2+][C@H]2CCC(=O)N(C)C2)nnn1-c1cccc(Br)c1 ZINC000269030921 654995823 /nfs/dbraw/zinc/99/58/23/654995823.db2.gz SCBBEXWCYVDSTD-RISCZKNCSA-N 1 0 392.301 2.610 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)C(=O)NC[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000071007676 654998184 /nfs/dbraw/zinc/99/81/84/654998184.db2.gz GMSUZUPSZMOKHT-GXTWGEPZSA-N 1 0 396.329 2.933 20 0 GFADRO C[NH2+][C@@H]1CCN(C(=O)c2ccc(NC(=O)c3ccc(Br)o3)cc2)C1 ZINC000269146515 654999713 /nfs/dbraw/zinc/99/97/13/654999713.db2.gz ZFLMWSBJJCGRDR-CYBMUJFWSA-N 1 0 392.253 2.728 20 0 GFADRO C[C@H](NC(=O)c1cc(F)ccc1I)[C@@H]1CCC[NH2+]C1 ZINC000269209365 655001608 /nfs/dbraw/zinc/00/16/08/655001608.db2.gz OYSJKOXPMZAHFJ-VHSXEESVSA-N 1 0 376.213 2.548 20 0 GFADRO O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)NCc1cc(Br)c2c(c1)OCCO2 ZINC000269245353 655002743 /nfs/dbraw/zinc/00/27/43/655002743.db2.gz JSONZGPWPSBRBM-QXMXGUDHSA-N 1 0 395.297 2.757 20 0 GFADRO O=C(NCC1([NH+]2CCCC2)CCOCC1)Nc1cccnc1Br ZINC000269295690 655004580 /nfs/dbraw/zinc/00/45/80/655004580.db2.gz WDWGVTZOVUGOMF-UHFFFAOYSA-N 1 0 383.290 2.611 20 0 GFADRO C[C@H](C(=O)NCCNC(=O)c1cccc(Br)c1)[NH+]1CCCCCC1 ZINC000079309556 655007179 /nfs/dbraw/zinc/00/71/79/655007179.db2.gz FDXCRPNIDNNHAU-CQSZACIVSA-N 1 0 396.329 2.560 20 0 GFADRO CNC(=O)NC(=O)[C@H](C)[NH2+]CC1(c2cccc(Br)c2)CCCC1 ZINC000135124661 655010236 /nfs/dbraw/zinc/01/02/36/655010236.db2.gz CYDNOIRWTYYTFF-LBPRGKRZSA-N 1 0 382.302 2.695 20 0 GFADRO CC[NH+](CC)CC(=O)N1CCN(C[C@@H](O)c2ccc(Cl)cc2Cl)CC1 ZINC000135384641 655015061 /nfs/dbraw/zinc/01/50/61/655015061.db2.gz KROFAGXINADXOG-QGZVFWFLSA-N 1 0 388.339 2.513 20 0 GFADRO CCOC(=O)C1(NC(=O)[C@@H](C)Sc2ccccc2Cl)CC[NH+](C)CC1 ZINC000135452472 655017296 /nfs/dbraw/zinc/01/72/96/655017296.db2.gz FZWHFDAJHACBQN-CYBMUJFWSA-N 1 0 384.929 2.964 20 0 GFADRO NC(=O)C[C@@H]1CCC[N@H+](Cc2nc(-c3ccc(Br)cc3)c[nH]2)C1 ZINC000093808974 655020945 /nfs/dbraw/zinc/02/09/45/655020945.db2.gz KCUCNRITCDRELQ-LBPRGKRZSA-N 1 0 377.286 2.927 20 0 GFADRO CCOCCOc1ccc(Br)cc1C[N@H+](C)C[C@@H](C)C(=O)NC ZINC000093899459 655021964 /nfs/dbraw/zinc/02/19/64/655021964.db2.gz PQMIRTAYBVRNHT-CYBMUJFWSA-N 1 0 387.318 2.678 20 0 GFADRO O=S(=O)(c1c[nH]c2nccc(Cl)c12)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000093912498 655023513 /nfs/dbraw/zinc/02/35/13/655023513.db2.gz KGKCRSXPWZRHBO-ZDUSSCGKSA-N 1 0 382.917 2.855 20 0 GFADRO CC(C)C[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2c[nH]c3nccc(Cl)c23)C1 ZINC000093926784 655024607 /nfs/dbraw/zinc/02/46/07/655024607.db2.gz FCQAOTMUGICXMO-ZDUSSCGKSA-N 1 0 384.933 2.863 20 0 GFADRO O=C(CCc1cc(Br)ccc1F)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000135937974 655025476 /nfs/dbraw/zinc/02/54/76/655025476.db2.gz VGVSQQJREOSNDO-AWEZNQCLSA-N 1 0 399.304 2.702 20 0 GFADRO CC1CC[NH+](CCCCNC(=O)c2cnn3cc(Br)cnc23)CC1 ZINC000094012840 655025968 /nfs/dbraw/zinc/02/59/68/655025968.db2.gz IRXSYDJIRUHVSI-UHFFFAOYSA-N 1 0 394.317 2.734 20 0 GFADRO CN1C(=O)C[C@@H]([NH2+]Cc2cc(C(N)=O)cs2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000270010954 655031026 /nfs/dbraw/zinc/03/10/26/655031026.db2.gz UMBPNWPXVQSJBP-ZBFHGGJFSA-N 1 0 381.860 2.701 20 0 GFADRO OC1CC[NH+](CCCNCc2cn(-c3ccc(Cl)cc3Cl)nn2)CC1 ZINC000270167985 655035912 /nfs/dbraw/zinc/03/59/12/655035912.db2.gz BWBWJPKVTAPJFU-UHFFFAOYSA-N 1 0 384.311 2.511 20 0 GFADRO CC(=O)c1ccc(Cl)c(S(=O)(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)c1 ZINC000270194945 655036919 /nfs/dbraw/zinc/03/69/19/655036919.db2.gz IEONGJBOXDZWKK-INIZCTEOSA-N 1 0 384.929 2.895 20 0 GFADRO Cn1cc([C@@H](O)C[C@H]2CCC[N@@H+]2Cc2cccc(O)c2Br)cn1 ZINC000838866260 661060528 /nfs/dbraw/zinc/06/05/28/661060528.db2.gz ZFTTYZMURRMEDT-ZBFHGGJFSA-N 1 0 380.286 2.976 20 0 GFADRO Cc1ccc(S(=O)(=O)N(C)CC2([NH+](C)C)CCC2)c(Br)c1 ZINC000097935686 655038329 /nfs/dbraw/zinc/03/83/29/655038329.db2.gz FJIWVPVCMTUGAV-UHFFFAOYSA-N 1 0 375.332 2.862 20 0 GFADRO C[NH+](C)CCn1cc(NC(=O)c2c(F)cccc2Br)ccc1=O ZINC000270297671 655040370 /nfs/dbraw/zinc/04/03/70/655040370.db2.gz XZCLYRWHRBFVCZ-UHFFFAOYSA-N 1 0 382.233 2.564 20 0 GFADRO CC(C)COC[C@H](O)C[NH2+][C@H](C)CC(=O)Nc1ccc(Br)cc1 ZINC000098173706 655041279 /nfs/dbraw/zinc/04/12/79/655041279.db2.gz JCQKDRJUIRBQRL-CZUORRHYSA-N 1 0 387.318 2.789 20 0 GFADRO C[C@@H](Cn1ccnc1)NC(=O)N1CCO[C@H](c2ccccc2Br)C1 ZINC000101761344 655047203 /nfs/dbraw/zinc/04/72/03/655047203.db2.gz LEJPYKZTRNWKCR-BBRMVZONSA-N 1 0 393.285 2.817 20 0 GFADRO O=C(Nc1cccc(C(=O)OC2CC[NH2+]CC2)c1)c1cc(Br)c[nH]1 ZINC000151086250 655047870 /nfs/dbraw/zinc/04/78/70/655047870.db2.gz FGLRLDQPDABKRH-UHFFFAOYSA-N 1 0 392.253 2.938 20 0 GFADRO COc1ccc(Br)cc1C(=O)CCC(=O)NC1CC[NH+](C)CC1 ZINC000101986610 655049413 /nfs/dbraw/zinc/04/94/13/655049413.db2.gz SRAZVLNXQRTEEV-UHFFFAOYSA-N 1 0 383.286 2.631 20 0 GFADRO CC[N@H+](C)CCNC(=O)NC[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000101997537 655049654 /nfs/dbraw/zinc/04/96/54/655049654.db2.gz PHXZPAXZQBZFPF-AWEZNQCLSA-N 1 0 383.334 2.526 20 0 GFADRO CC(C)CC[C@H](C)[NH2+][C@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000151606756 655052948 /nfs/dbraw/zinc/05/29/48/655052948.db2.gz LLRSOUSBFPUFMT-LSDHHAIUSA-N 1 0 390.571 2.888 20 0 GFADRO CNC(=O)CN1CCC([NH2+]CC2=Cc3cc(Cl)cc(Cl)c3OC2)CC1 ZINC000102421685 655055120 /nfs/dbraw/zinc/05/51/20/655055120.db2.gz HPSAKMMTZYYGLD-UHFFFAOYSA-N 1 0 384.307 2.569 20 0 GFADRO O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)c1occc1Br ZINC000270942714 655061098 /nfs/dbraw/zinc/06/10/98/655061098.db2.gz WPVLWNUYHKMXMC-HOCLYGCPSA-N 1 0 393.281 2.655 20 0 GFADRO Cc1csc(SCc2ccccc2C(=O)NC[C@@](C)(O)C[NH+](C)C)n1 ZINC000152741855 655061349 /nfs/dbraw/zinc/06/13/49/655061349.db2.gz HJXOMSJTIVBLBN-GOSISDBHSA-N 1 0 379.551 2.786 20 0 GFADRO CC(=O)N[C@H](CC(=O)N(C)CC[NH+]1CCCC1)c1ccc(Br)cc1 ZINC000103119595 655067108 /nfs/dbraw/zinc/06/71/08/655067108.db2.gz YUORJTWKFPSKFZ-QGZVFWFLSA-N 1 0 396.329 2.571 20 0 GFADRO COc1sc(C[N@H+](C)C[C@@H](O)COCCOC(C)C)cc1Br ZINC000271166158 655068462 /nfs/dbraw/zinc/06/84/62/655068462.db2.gz ZLQHVVVGYWAXDC-GFCCVEGCSA-N 1 0 396.347 2.754 20 0 GFADRO CC(C)[N@H+](C)CCNC(=O)CSc1nnc(-c2cccs2)n1C1CC1 ZINC000103206997 655069156 /nfs/dbraw/zinc/06/91/56/655069156.db2.gz XHUMAQCCLOQVQQ-UHFFFAOYSA-N 1 0 379.555 2.890 20 0 GFADRO CON(C)C(=O)[C@H](CCSC)[NH2+]Cc1c(C)nc2scc(C3CC3)n12 ZINC000838981252 661067040 /nfs/dbraw/zinc/06/70/40/661067040.db2.gz XQQWVUUUBXUPHM-ZDUSSCGKSA-N 1 0 382.555 2.813 20 0 GFADRO Cc1ncc(S(=O)(=O)N(C)CCC2CCN(c3cc[nH+]cc3)CC2)s1 ZINC000271276818 655074077 /nfs/dbraw/zinc/07/40/77/655074077.db2.gz PKYDVLLFYSTUHM-UHFFFAOYSA-N 1 0 380.539 2.774 20 0 GFADRO Cc1ccc(NC(=[NH2+])NCCNS(=O)(=O)c2cccc(Cl)c2)cc1C ZINC000104161491 655079137 /nfs/dbraw/zinc/07/91/37/655079137.db2.gz RZVPMAANSASKJR-UHFFFAOYSA-N 1 0 380.901 2.662 20 0 GFADRO COc1cc([C@H](C)[NH2+][C@@H]2CCO[C@]3(CCSC3)C2)ccc1S(C)(=O)=O ZINC000271485060 655082966 /nfs/dbraw/zinc/08/29/66/655082966.db2.gz JNKWZEKVYQGSEK-JCKWVBRZSA-N 1 0 385.551 2.804 20 0 GFADRO CN(C)S(=O)(=O)CCC[NH2+]C1(c2cccc(Br)c2)CCC1 ZINC000104682390 655084079 /nfs/dbraw/zinc/08/40/79/655084079.db2.gz IZJFETAFXDVAAW-UHFFFAOYSA-N 1 0 375.332 2.699 20 0 GFADRO C[C@@H]([NH2+]C[C@H]1CCCN1S(C)(=O)=O)c1ccc(OCC(F)(F)F)cc1 ZINC000271540904 655084818 /nfs/dbraw/zinc/08/48/18/655084818.db2.gz SQUWZQQJMBFDGN-TZMCWYRMSA-N 1 0 380.432 2.702 20 0 GFADRO CC(=O)Nc1cc(F)c(S(=O)(=O)NCC[N@H+]2CCCC[C@@H]2C)cc1Cl ZINC000104735522 655084944 /nfs/dbraw/zinc/08/49/44/655084944.db2.gz WTHAZOYRUFGMJJ-NSHDSACASA-N 1 0 391.896 2.590 20 0 GFADRO O=S1(=O)CCCN1CC[NH2+]Cc1ccc(-c2cccc(Br)c2)o1 ZINC000105473623 655093606 /nfs/dbraw/zinc/09/36/06/655093606.db2.gz YSYZOTNEZIMTHW-UHFFFAOYSA-N 1 0 399.310 2.834 20 0 GFADRO C[N@H+](CCCO)C1CCN(C(=O)Nc2nnc(-c3ccsc3)s2)CC1 ZINC000271780610 655094489 /nfs/dbraw/zinc/09/44/89/655094489.db2.gz HNKWTIJNNJZUFT-UHFFFAOYSA-N 1 0 381.527 2.577 20 0 GFADRO CCCC[NH+]1CCC(NS(=O)(=O)c2ccc(Cl)c(C(=O)OC)c2)CC1 ZINC000156812781 655095866 /nfs/dbraw/zinc/09/58/66/655095866.db2.gz HWJOGXDLHUPRJL-UHFFFAOYSA-N 1 0 388.917 2.669 20 0 GFADRO COC(=O)c1ccc(Cl)c(S(=O)(=O)N(C)C2CC[NH+](C(C)C)CC2)c1 ZINC000105897495 655099394 /nfs/dbraw/zinc/09/93/94/655099394.db2.gz ASNFFDLTNJCTDU-UHFFFAOYSA-N 1 0 388.917 2.620 20 0 GFADRO COc1c(Cl)cc(Cl)cc1C[NH2+][C@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1 ZINC000271984053 655099952 /nfs/dbraw/zinc/09/99/52/655099952.db2.gz KCNLUDFXLRATDM-BBRMVZONSA-N 1 0 394.320 2.828 20 0 GFADRO C[C@@H](O)C[N@@H+]1CCN(CC(=O)Nc2c(Cl)cc(Cl)cc2Cl)C[C@@H]1C ZINC000106100689 655102401 /nfs/dbraw/zinc/10/24/01/655102401.db2.gz UHZFHRQUQVFNOC-WDEREUQCSA-N 1 0 394.730 2.972 20 0 GFADRO [NH3+][C@@H]1CCCN(C(=O)c2cnn(-c3ncccc3Cl)c2C(F)(F)Cl)C1 ZINC000158024261 655104015 /nfs/dbraw/zinc/10/40/15/655104015.db2.gz UGPBWBXOTHJJBQ-SECBINFHSA-N 1 0 390.221 2.772 20 0 GFADRO Cc1c(C(=O)NC[C@@H]2CCC[N@H+]2C)cnn1-c1cccc(Br)c1 ZINC000106284681 655105820 /nfs/dbraw/zinc/10/58/20/655105820.db2.gz NAJZEHHVNZGUJA-HNNXBMFYSA-N 1 0 377.286 2.767 20 0 GFADRO CC(C)(O)C[NH+]1CCN(Cn2nc(-c3cccc(Cl)c3)oc2=S)CC1 ZINC000158595146 655107636 /nfs/dbraw/zinc/10/76/36/655107636.db2.gz VWYYOFYXMKYZDT-UHFFFAOYSA-N 1 0 382.917 2.872 20 0 GFADRO CC[N@@H+]1CCC[C@H](NC(=O)c2cnn(-c3cccc(Br)c3)c2)C1 ZINC000106773681 655111003 /nfs/dbraw/zinc/11/10/03/655111003.db2.gz DAWLBPCDKPYBMN-HNNXBMFYSA-N 1 0 377.286 2.849 20 0 GFADRO CN(CC[NH+]1CCCC1)C(=O)c1ccn(-c2cccc(Br)c2)n1 ZINC000106771213 655111098 /nfs/dbraw/zinc/11/10/98/655111098.db2.gz CYQKJMRHZFBSLJ-UHFFFAOYSA-N 1 0 377.286 2.803 20 0 GFADRO CC[NH+]1CCN([C@H]2CCN(C(=O)c3csc(-c4ccsc4)n3)C2)CC1 ZINC000106806449 655111621 /nfs/dbraw/zinc/11/16/21/655111621.db2.gz HGBGYXABLUORFB-HNNXBMFYSA-N 1 0 376.551 2.724 20 0 GFADRO C[NH+](C)C1CCN(C(=O)c2ccnc(Cl)c2I)CC1 ZINC000159939399 655117943 /nfs/dbraw/zinc/11/79/43/655117943.db2.gz RDXQISTWYNUTFR-UHFFFAOYSA-N 1 0 393.656 2.506 20 0 GFADRO CCO[C@@H]1C[C@H]([NH2+]Cc2cc(Br)c(O)c(OC)c2)[C@@]12CCCO2 ZINC000272649318 655118099 /nfs/dbraw/zinc/11/80/99/655118099.db2.gz FAGQHIWLXDBHAX-UXLLHSPISA-N 1 0 386.286 2.980 20 0 GFADRO CC1CC[NH+](CCNC(=O)C[C@H]2Sc3ccc(Cl)cc3NC2=O)CC1 ZINC000107619678 655123080 /nfs/dbraw/zinc/12/30/80/655123080.db2.gz CZFLIRFPPINHSE-MRXNPFEDSA-N 1 0 381.929 2.991 20 0 GFADRO C[C@]1(CNC(=O)c2cc(F)ccc2I)CCC[NH2+]C1 ZINC000273031735 655128040 /nfs/dbraw/zinc/12/80/40/655128040.db2.gz SDHJWLVNFXKXNK-AWEZNQCLSA-N 1 0 376.213 2.550 20 0 GFADRO C[N@@H+]1CCC[C@@H](CNC(=O)c2cnn(-c3ccc(Br)cc3)c2)C1 ZINC000108328972 655131244 /nfs/dbraw/zinc/13/12/44/655131244.db2.gz QGLGVICXAAUKQD-ZDUSSCGKSA-N 1 0 377.286 2.706 20 0 GFADRO C[C@@H](C1CC1)N(C(=O)C[NH2+][C@@H](CO)c1ccc(Br)cc1)C1CC1 ZINC000273149463 655132405 /nfs/dbraw/zinc/13/24/05/655132405.db2.gz WPVZAJKCYUTDOO-SJCJKPOMSA-N 1 0 381.314 2.862 20 0 GFADRO CC[NH+](CC)Cc1cccc(CNC(=O)c2cnn(C)c2Br)c1 ZINC000273207537 655135329 /nfs/dbraw/zinc/13/53/29/655135329.db2.gz KVUBOOFZDDLDJP-UHFFFAOYSA-N 1 0 379.302 2.954 20 0 GFADRO Cc1nc2c(s1)[C@H]([NH2+]C1CCN(S(=O)(=O)C(F)(F)F)CC1)CCC2 ZINC000168092854 655143021 /nfs/dbraw/zinc/14/30/21/655143021.db2.gz NJBLQYPGLVCEID-GFCCVEGCSA-N 1 0 383.461 2.733 20 0 GFADRO O=C(NCCCC[NH+]1CCOCC1)[C@H]1C[C@@H]1c1cccc(Br)c1 ZINC000109567355 655148712 /nfs/dbraw/zinc/14/87/12/655148712.db2.gz VSKBMWMYXFIHDW-SJORKVTESA-N 1 0 381.314 2.781 20 0 GFADRO O[C@@H](COc1c(Cl)cccc1Cl)C[N@@H+]1CCC[C@H](C2OCCO2)C1 ZINC000171143349 655149089 /nfs/dbraw/zinc/14/90/89/655149089.db2.gz UBVKYPHMRFQOEI-QWHCGFSZSA-N 1 0 376.280 2.818 20 0 GFADRO COCC[NH+]1CCC(NC(=O)Nc2ccc(SC(F)(F)F)nc2)CC1 ZINC000839182287 661075356 /nfs/dbraw/zinc/07/53/56/661075356.db2.gz HVFRVMVROBAZBP-UHFFFAOYSA-N 1 0 378.420 2.926 20 0 GFADRO CCn1c(-c2cccs2)nn(CN2CC[NH+](CC(C)(C)O)CC2)c1=S ZINC000172910369 655160503 /nfs/dbraw/zinc/16/05/03/655160503.db2.gz DRVGKYOWIQHWDP-UHFFFAOYSA-N 1 0 381.571 2.508 20 0 GFADRO Cc1ccsc1-c1nn(CN2CC[C@@H](C[NH+]3CCOCC3)C2)c(=S)o1 ZINC000172936013 655161002 /nfs/dbraw/zinc/16/10/02/655161002.db2.gz FCJAXAWRFJVGCS-AWEZNQCLSA-N 1 0 380.539 2.854 20 0 GFADRO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)c1cc(Br)n(C)n1 ZINC000839233186 661076785 /nfs/dbraw/zinc/07/67/85/661076785.db2.gz SEZOUWMQNOLMSA-CJNGLKHVSA-N 1 0 389.297 2.939 20 0 GFADRO CC[C@H](C)[C@H](NC(=O)C[NH2+]C1(c2ccc(Br)cc2)CC1)C(=O)OC ZINC000173273865 655166579 /nfs/dbraw/zinc/16/65/79/655166579.db2.gz ILWOTTUHNMZVGQ-LRDDRELGSA-N 1 0 397.313 2.732 20 0 GFADRO CNS(=O)(=O)CCC[N@H+](C)[C@H]1CCSc2ccc(Br)cc21 ZINC000111222051 655166722 /nfs/dbraw/zinc/16/67/22/655166722.db2.gz BTYFURTXSGMPOV-ZDUSSCGKSA-N 1 0 393.372 2.857 20 0 GFADRO C[C@H]1C[C@H](N(C)S(=O)(=O)c2cc(Br)c(F)cc2F)CC[N@@H+]1C ZINC000173279038 655166822 /nfs/dbraw/zinc/16/68/22/655166822.db2.gz PIXICEBBDPNWQA-VHSXEESVSA-N 1 0 397.285 2.831 20 0 GFADRO CC[C@@H](C)C[N@H+](C)CCC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1Cl ZINC000111254003 655167293 /nfs/dbraw/zinc/16/72/93/655167293.db2.gz HZSYMXNKSSZSTQ-CYBMUJFWSA-N 1 0 389.949 2.897 20 0 GFADRO O[C@@H](COc1ccc(Br)cc1)C[NH+]1CCC(n2ccnc2)CC1 ZINC000111243970 655167342 /nfs/dbraw/zinc/16/73/42/655167342.db2.gz JLIXKVPHWWUJPI-MRXNPFEDSA-N 1 0 380.286 2.722 20 0 GFADRO COc1ccc(Cl)cc1NC(=O)CN1C[C@@H](SC)[C@H]([NH+]2CCCC2)C1 ZINC000273998554 655168182 /nfs/dbraw/zinc/16/81/82/655168182.db2.gz JMTSRJLDMHJGOF-NVXWUHKLSA-N 1 0 383.945 2.799 20 0 GFADRO CC[N@@H+]1CCC[C@H](CNS(=O)(=O)Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000111336010 655168868 /nfs/dbraw/zinc/16/88/68/655168868.db2.gz IPLYXSAFDRUIAT-CQSZACIVSA-N 1 0 380.432 2.737 20 0 GFADRO COCCC[N@H+](C)CCNS(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000173427663 655171667 /nfs/dbraw/zinc/17/16/67/655171667.db2.gz XCZAJEOSUYWFRB-UHFFFAOYSA-N 1 0 389.732 2.893 20 0 GFADRO C[N@@H+]1CCC[C@@H](CNC(=O)N[C@@H]2CCN(c3ccccc3Br)C2)C1 ZINC000111862755 655178204 /nfs/dbraw/zinc/17/82/04/655178204.db2.gz JUAGBBSGJPUXSO-LSDHHAIUSA-N 1 0 395.345 2.669 20 0 GFADRO CC[NH+](CC)C[C@H]1CCN(S(=O)(=O)c2ccc(F)cc2Br)C1 ZINC000173919445 655185577 /nfs/dbraw/zinc/18/55/77/655185577.db2.gz NWKVIOQESKVSPZ-GFCCVEGCSA-N 1 0 393.322 2.941 20 0 GFADRO O=C(CSC(F)(F)F)Nc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000112255835 655185771 /nfs/dbraw/zinc/18/57/71/655185771.db2.gz URQAYRKOYLXECD-UHFFFAOYSA-N 1 0 375.416 2.704 20 0 GFADRO Brc1cncc(C[NH2+]C[C@@H]2CN(Cc3ccccc3)CCO2)c1 ZINC000274362583 655185920 /nfs/dbraw/zinc/18/59/20/655185920.db2.gz WDDQCACMQHUYMQ-GOSISDBHSA-N 1 0 376.298 2.835 20 0 GFADRO O=S(=O)(Cc1ccc(Br)cc1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000174006474 655190034 /nfs/dbraw/zinc/19/00/34/655190034.db2.gz AWTKGJYDBJAHBW-MRXNPFEDSA-N 1 0 387.343 2.839 20 0 GFADRO CC(C)COC[C@@H](O)C[NH2+]Cc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000112372723 655190105 /nfs/dbraw/zinc/19/01/05/655190105.db2.gz JAVSRQGUGLFIFE-HNNXBMFYSA-N 1 0 382.302 2.962 20 0 GFADRO C[C@@H]([NH2+]Cc1ccc(C(=O)NCC(N)=O)cc1)c1ccccc1Br ZINC000112530735 655192905 /nfs/dbraw/zinc/19/29/05/655192905.db2.gz IRRWMOZLKAMCBC-GFCCVEGCSA-N 1 0 390.281 2.515 20 0 GFADRO O=C(CN1CCC(OCC[NH+]2CCCC2)CC1)NCc1ccc(Cl)s1 ZINC000174238466 655194712 /nfs/dbraw/zinc/19/47/12/655194712.db2.gz ZBKHZOOOQUHLLG-UHFFFAOYSA-N 1 0 385.961 2.595 20 0 GFADRO COCC[NH+]1CCC(N[C@H](C)C(=O)Nc2ccc(Br)c(C)c2)CC1 ZINC000174301554 655198193 /nfs/dbraw/zinc/19/81/93/655198193.db2.gz WTBIJLQUVWJJAX-CQSZACIVSA-N 1 0 398.345 2.785 20 0 GFADRO CC[NH+](CC)[C@H]1CCN(CC(=O)N(C)Cc2ccccc2Br)C1 ZINC000174299783 655198226 /nfs/dbraw/zinc/19/82/26/655198226.db2.gz FDSRROIKXHPZOU-INIZCTEOSA-N 1 0 382.346 2.824 20 0 GFADRO CC[N@H+](CC1CCN(C(=O)OC(C)(C)C)CC1)[C@@H](C)CS(=O)(=O)CC ZINC000113000054 655201181 /nfs/dbraw/zinc/20/11/81/655201181.db2.gz RXFOREPVBJFWHZ-HNNXBMFYSA-N 1 0 376.563 2.779 20 0 GFADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)COC[C@@H]1CCCO1 ZINC000113056436 655202228 /nfs/dbraw/zinc/20/22/28/655202228.db2.gz WDZVEFYTQSRBRE-KRWDZBQOSA-N 1 0 399.329 2.535 20 0 GFADRO CCC[N@H+](CC)CCNC(=O)CN1C(=S)N=NC1c1ccc(Cl)cc1 ZINC000174660005 655205667 /nfs/dbraw/zinc/20/56/67/655205667.db2.gz FIJMJAPUTSSOMI-UHFFFAOYSA-N 1 0 381.933 2.735 20 0 GFADRO Cc1c(C(=O)N2CC[C@H](C[NH+](C)C)C2)cnn1-c1ccc(Br)cc1 ZINC000113455526 655210564 /nfs/dbraw/zinc/21/05/64/655210564.db2.gz UCQJTVBIHGPGBY-CQSZACIVSA-N 1 0 391.313 2.967 20 0 GFADRO C[NH+](C)C[C@@H]1CCN(C(=O)[C@@]23CCC(=O)N2c2cc(Cl)ccc2S3)C1 ZINC000113452105 655210616 /nfs/dbraw/zinc/21/06/16/655210616.db2.gz BIYVNODVMXQYDG-SGTLLEGYSA-N 1 0 379.913 2.679 20 0 GFADRO O=C(CC[N@@H+]1CCC[C@@H]1C(=O)NC1CC1)Nc1ccc(Br)cc1 ZINC000113505558 655211491 /nfs/dbraw/zinc/21/14/91/655211491.db2.gz JCGXVYZVVZJXPM-OAHLLOKOSA-N 1 0 380.286 2.521 20 0 GFADRO Cc1c(Br)cccc1S(=O)(=O)N(C)[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000175305130 655219364 /nfs/dbraw/zinc/21/93/64/655219364.db2.gz HWZDNALLIJFEAS-FZMZJTMJSA-N 1 0 375.332 2.718 20 0 GFADRO CS[C@@H]1CN(CCCS(=O)(=O)c2ccc(C)cc2)C[C@H]1[NH+]1CCCC1 ZINC000275143688 655219426 /nfs/dbraw/zinc/21/94/26/655219426.db2.gz XHKHKBALANQIIB-RTBURBONSA-N 1 0 382.595 2.670 20 0 GFADRO COc1cc(S(=O)(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)ccc1Br ZINC000175305751 655219421 /nfs/dbraw/zinc/21/94/21/655219421.db2.gz NKMZZZIAOPEQJO-NEPJUHHUSA-N 1 0 391.331 2.561 20 0 GFADRO Cc1csc(C2([NH2+]C[C@@](C)(O)c3ccc(S(C)(=O)=O)cc3)CCC2)n1 ZINC000275186095 655221773 /nfs/dbraw/zinc/22/17/73/655221773.db2.gz NYROWIQHHRITNY-QGZVFWFLSA-N 1 0 380.535 2.732 20 0 GFADRO COC(=O)CC[N@H+](CC(=O)N(C)Cc1cc(Br)cs1)C(C)C ZINC000114476099 655224832 /nfs/dbraw/zinc/22/48/32/655224832.db2.gz GQJJSDADZXSVLY-UHFFFAOYSA-N 1 0 391.331 2.743 20 0 GFADRO C[N@@H+]1CC[C@@H](CNC(=O)c2ccc(I)c(Cl)c2)C1 ZINC000175731777 655226386 /nfs/dbraw/zinc/22/63/86/655226386.db2.gz GKTDONOPKBFAJH-VIFPVBQESA-N 1 0 378.641 2.626 20 0 GFADRO C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)Nc1nc(-c2cccs2)cs1 ZINC000175841470 655228212 /nfs/dbraw/zinc/22/82/12/655228212.db2.gz XCQALWSXCOIEHF-LBPRGKRZSA-N 1 0 378.523 2.801 20 0 GFADRO CCS[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1ccccc1SCC(N)=O ZINC000275326822 655229684 /nfs/dbraw/zinc/22/96/84/655229684.db2.gz UYXJUZIVHZUSKV-UKRRQHHQSA-N 1 0 381.567 2.856 20 0 GFADRO COC(=O)CC1([NH2+]CCOc2cc(F)cc(Br)c2)CCOCC1 ZINC000275422423 655235296 /nfs/dbraw/zinc/23/52/96/655235296.db2.gz AEFDCFLWFSCDPV-UHFFFAOYSA-N 1 0 390.249 2.669 20 0 GFADRO C[C@@H]1CCC[N@H+](CCCCNC(=O)c2cc(I)c[nH]2)C1 ZINC000115334435 655235456 /nfs/dbraw/zinc/23/54/56/655235456.db2.gz NXKYPOJULWLVDH-GFCCVEGCSA-N 1 0 389.281 2.861 20 0 GFADRO C[C@@H]1CCC[C@@](CNC(=O)CS(=O)(=O)c2ccc(Cl)cc2)([NH+](C)C)C1 ZINC000115667406 655241202 /nfs/dbraw/zinc/24/12/02/655241202.db2.gz WQDJQSCNGPYKGE-RDTXWAMCSA-N 1 0 386.945 2.740 20 0 GFADRO CC(C)CN(CC[NH+](C)C)C(=O)c1cc(=O)[nH]c2c(Br)cccc12 ZINC000176259032 655242194 /nfs/dbraw/zinc/24/21/94/655242194.db2.gz POSHBXINQFVWBS-UHFFFAOYSA-N 1 0 394.313 2.950 20 0 GFADRO Cn1ccnc1CN(C(=O)c1ccc(Br)o1)[C@@H]1CC12CC[NH2+]CC2 ZINC000275574518 655242672 /nfs/dbraw/zinc/24/26/72/655242672.db2.gz GMMSRAQORIMSIR-CYBMUJFWSA-N 1 0 393.285 2.560 20 0 GFADRO C[C@@H]([NH2+]C[C@@H]1CCn2ncc(C(N)=O)c2C1)c1cccc(Br)c1 ZINC000275697972 655247591 /nfs/dbraw/zinc/24/75/91/655247591.db2.gz XINNDCLHEHAORS-VXGBXAGGSA-N 1 0 377.286 2.658 20 0 GFADRO Cc1ccc([C@H](CNC(=O)c2[nH]nc(C)c2Br)[NH+]2CCCC2)o1 ZINC000116592541 655249791 /nfs/dbraw/zinc/24/97/91/655249791.db2.gz QOSXYBGYUJORLI-LBPRGKRZSA-N 1 0 381.274 2.949 20 0 GFADRO [NH3+][C@@H]1CCC[C@H](NC(=O)[C@@H]2CCCN2C(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000275757956 655249870 /nfs/dbraw/zinc/24/98/70/655249870.db2.gz MAUBREHBCXCHNK-WWGRRREGSA-N 1 0 384.307 2.984 20 0 GFADRO C[C@H](Sc1nncn1C)C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1 ZINC000116815978 655254149 /nfs/dbraw/zinc/25/41/49/655254149.db2.gz JQFOTORYRCJLOZ-NSHDSACASA-N 1 0 383.905 2.528 20 0 GFADRO CN(C)C(=O)c1ccc(C[NH2+][C@H]2CCN(c3ccccc3Br)C2)[nH]1 ZINC000176766285 655255579 /nfs/dbraw/zinc/25/55/79/655255579.db2.gz XYYYVYDAVCUUIV-AWEZNQCLSA-N 1 0 391.313 2.848 20 0 GFADRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)Nc1ccccc1Br ZINC000275928189 655255709 /nfs/dbraw/zinc/25/57/09/655255709.db2.gz VKYWIUDKLRQIPF-LBPRGKRZSA-N 1 0 382.302 2.576 20 0 GFADRO CCN(CCC[NH+](C)C)C(=O)C(=O)Nc1ccc2nc(SC)sc2c1 ZINC000276184022 655266213 /nfs/dbraw/zinc/26/62/13/655266213.db2.gz CYQYRJBIOVJORA-UHFFFAOYSA-N 1 0 380.539 2.757 20 0 GFADRO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1ccc(Br)cc1Cl ZINC000118116815 655272146 /nfs/dbraw/zinc/27/21/46/655272146.db2.gz IUFXNKDLIPLKBR-SNVBAGLBSA-N 1 0 390.709 2.888 20 0 GFADRO C[NH+](C)C[C@H]1CCN(C(=O)Nc2cc3c(cc2Br)OCCO3)C1 ZINC000118795097 655282173 /nfs/dbraw/zinc/28/21/73/655282173.db2.gz LJIPSPNQXPVLHC-LLVKDONJSA-N 1 0 384.274 2.636 20 0 GFADRO COc1cc(C[NH2+]Cc2ccc(C)cc2Br)ccc1OCC(N)=O ZINC000118959674 655284661 /nfs/dbraw/zinc/28/46/61/655284661.db2.gz KSZZVNZHAJNBPA-UHFFFAOYSA-N 1 0 393.281 2.920 20 0 GFADRO C[NH+]1CCC(O)(CNC(=O)Nc2cccc(Cl)c2Br)CC1 ZINC000276736712 655285702 /nfs/dbraw/zinc/28/57/02/655285702.db2.gz JLLDFBZQKLIWFQ-UHFFFAOYSA-N 1 0 376.682 2.681 20 0 GFADRO COc1cc(Br)cc(S(=O)(=O)N2CCC[C@H]([NH+](C)C)CC2)c1 ZINC000276954291 655294962 /nfs/dbraw/zinc/29/49/62/655294962.db2.gz DBAMZYUHAAKLBK-ZDUSSCGKSA-N 1 0 391.331 2.563 20 0 GFADRO COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000276952741 655294967 /nfs/dbraw/zinc/29/49/67/655294967.db2.gz LIVAIVIACFDZND-LKFCYVNXSA-N 1 0 386.279 2.539 20 0 GFADRO O=C(CCc1cccc(Br)c1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000178087028 655297243 /nfs/dbraw/zinc/29/72/43/655297243.db2.gz RFMYMJRHJTYCEE-MRXNPFEDSA-N 1 0 381.314 2.562 20 0 GFADRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)CNC(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000119297532 655297475 /nfs/dbraw/zinc/29/74/75/655297475.db2.gz UVGASICDCHKMSZ-CYBMUJFWSA-N 1 0 386.323 2.817 20 0 GFADRO CC[NH+]1CCN(c2cccc(NC(=O)c3cc(Br)nn3C)c2)CC1 ZINC000277010433 655298238 /nfs/dbraw/zinc/29/82/38/655298238.db2.gz LLBGFXXOVGHWIQ-UHFFFAOYSA-N 1 0 392.301 2.577 20 0 GFADRO O[C@@H](COc1ccc(Cl)cc1Cl)C[N@@H+]1CCC[C@H](Cn2ccnn2)C1 ZINC000119377281 655301510 /nfs/dbraw/zinc/30/15/10/655301510.db2.gz IIJXUFLBTIZELQ-DZGCQCFKSA-N 1 0 385.295 2.737 20 0 GFADRO C[C@H](NC(=O)c1cc(Br)nn1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000277094054 655302853 /nfs/dbraw/zinc/30/28/53/655302853.db2.gz VWLIKTYLKDOXGR-DZGCQCFKSA-N 1 0 391.313 2.823 20 0 GFADRO Cc1csc([C@@](O)(CC(=O)N2CCC[C@@H]([NH+](C)C)CC2)C(F)(F)F)n1 ZINC000277133330 655304877 /nfs/dbraw/zinc/30/48/77/655304877.db2.gz GSEMYAMCMDLRAT-DOMZBBRYSA-N 1 0 379.448 2.534 20 0 GFADRO CSCC[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)NCC[C@H](C)[NH3+] ZINC000178683928 655308239 /nfs/dbraw/zinc/30/82/39/655308239.db2.gz AWYZHIQLWLSQSI-IINYFYTJSA-N 1 0 392.352 2.698 20 0 GFADRO CCn1cc(Br)cc1C(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000178740602 655308636 /nfs/dbraw/zinc/30/86/36/655308636.db2.gz LACRNGMALWQLNE-DOTOQJQBSA-N 1 0 398.345 2.768 20 0 GFADRO C[NH+](C)CC1CCC(NC(=O)CN2C(=S)N=NC2c2cccs2)CC1 ZINC000119837280 655317668 /nfs/dbraw/zinc/31/76/68/655317668.db2.gz VCVLBYXXHBYPHY-UHFFFAOYSA-N 1 0 379.555 2.532 20 0 GFADRO O=C(CC[N@@H+]1CCC[C@H](Cn2ccnn2)C1)Nc1ccc(Br)cc1 ZINC000119858432 655318563 /nfs/dbraw/zinc/31/85/63/655318563.db2.gz UHRWCUBMVANRIV-AWEZNQCLSA-N 1 0 392.301 2.781 20 0 GFADRO O=S(=O)(c1c(F)c(F)c(F)c(F)c1F)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000180215982 655324117 /nfs/dbraw/zinc/32/41/17/655324117.db2.gz WJOBYQPJWATOHX-SECBINFHSA-N 1 0 384.370 2.631 20 0 GFADRO COc1cc([C@H](C)[NH2+]CC2CCN(S(=O)(=O)C(F)F)CC2)ccc1F ZINC000180794089 655330224 /nfs/dbraw/zinc/33/02/24/655330224.db2.gz WJYCWZMLEVZANO-NSHDSACASA-N 1 0 380.432 2.749 20 0 GFADRO COC(=O)CC[N@H+](Cc1ccc(C#N)cc1Br)C1CCOCC1 ZINC000181127470 655332633 /nfs/dbraw/zinc/33/26/33/655332633.db2.gz NDVQHXHIWNBOAI-UHFFFAOYSA-N 1 0 381.270 2.865 20 0 GFADRO C[N@@H+]1CCN(CCNC(=O)Cc2csc(-c3cccs3)n2)CC1(C)C ZINC000281795996 655337669 /nfs/dbraw/zinc/33/76/69/655337669.db2.gz ONXSMDUETZGTJP-UHFFFAOYSA-N 1 0 378.567 2.556 20 0 GFADRO C[C@H](NC(=O)N[C@H](CO)c1cccc(Br)c1)C(C)(C)C[NH+](C)C ZINC000120618749 655340698 /nfs/dbraw/zinc/34/06/98/655340698.db2.gz DUARZIYLYASCFK-SWLSCSKDSA-N 1 0 386.334 2.758 20 0 GFADRO CCCCO[C@H]1C[C@@H]([NH2+]C2CCN(S(=O)(=O)C(F)(F)F)CC2)C1(C)C ZINC000181884747 655341000 /nfs/dbraw/zinc/34/10/00/655341000.db2.gz RPQIHTRUEOSZBV-KGLIPLIRSA-N 1 0 386.480 2.874 20 0 GFADRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1cc(Br)c2c(c1)OCCO2 ZINC000120662924 655341719 /nfs/dbraw/zinc/34/17/19/655341719.db2.gz AXIQYCVEPACSGK-RISCZKNCSA-N 1 0 383.286 2.633 20 0 GFADRO Cn1nc(C(F)(F)F)c(C[NH2+]CCn2cc(Br)cn2)c1Cl ZINC000289232844 655344573 /nfs/dbraw/zinc/34/45/73/655344573.db2.gz DBYHHEULUUCNNV-UHFFFAOYSA-N 1 0 386.603 2.841 20 0 GFADRO CCOC(=O)c1nn(-c2ccccc2)cc1C[NH2+]C[C@H]1CSCCS1 ZINC000182579039 655345352 /nfs/dbraw/zinc/34/53/52/655345352.db2.gz KUEGPZRTHQKHLM-INIZCTEOSA-N 1 0 377.535 2.987 20 0 GFADRO O=C(Cc1ccc(F)c(Br)c1)NCCC[NH2+]Cc1cccnc1 ZINC000120855827 655345560 /nfs/dbraw/zinc/34/55/60/655345560.db2.gz NNMBHJJANQWBGK-UHFFFAOYSA-N 1 0 380.261 2.822 20 0 GFADRO O=C(C[C@@H]1Sc2ccc(Cl)cc2NC1=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000289319922 655346517 /nfs/dbraw/zinc/34/65/17/655346517.db2.gz UNQIBMUTHMZJHO-MAUKXSAKSA-N 1 0 379.913 2.745 20 0 GFADRO COCCN1[C@H](C)CN(C(=O)c2ccc(Br)cc2OC)C[C@@H]1C ZINC000121183851 655348327 /nfs/dbraw/zinc/34/83/27/655348327.db2.gz OZMDQUREQZXYII-BETUJISGSA-N 1 0 385.302 2.639 20 0 GFADRO C[C@H]1CN(C(=O)c2cc(I)c[nH]2)CC[N@@H+](C2CCC2)C1 ZINC000292524658 655352003 /nfs/dbraw/zinc/35/20/03/655352003.db2.gz ZABZSWLFXYVFQC-LLVKDONJSA-N 1 0 387.265 2.566 20 0 GFADRO C[NH+](C)[C@H]1CCC[C@H](Nc2cnn(-c3ccccn3)c(=O)c2Br)C1 ZINC000292947125 655357798 /nfs/dbraw/zinc/35/77/98/655357798.db2.gz BRVDKKBPQPMQAH-STQMWFEESA-N 1 0 392.301 2.675 20 0 GFADRO COc1cc(/C=C/C(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)cc(Br)c1O ZINC000293650730 655361041 /nfs/dbraw/zinc/36/10/41/655361041.db2.gz GXLZOEAWVVKBKY-WHLIDYPQSA-N 1 0 395.297 2.731 20 0 GFADRO C[C@@]([NH3+])(C(=O)NC[C@@H](CCO)c1ccccc1)c1ccc(Br)cc1 ZINC000293975214 655363726 /nfs/dbraw/zinc/36/37/26/655363726.db2.gz BHAAZRXQNFCJDC-BEFAXECRSA-N 1 0 391.309 2.905 20 0 GFADRO C[N@@H+]1CCC[C@]2(CCN(C(=O)c3ccc(I)cc3)C2)C1 ZINC000294096215 655365040 /nfs/dbraw/zinc/36/50/40/655365040.db2.gz KOFOAMZMRDMQMQ-INIZCTEOSA-N 1 0 384.261 2.849 20 0 GFADRO COC(=O)N1CCC([C@H](C)[NH2+]CC(=O)Nc2ccccc2Br)CC1 ZINC000186373424 655369080 /nfs/dbraw/zinc/36/90/80/655369080.db2.gz VMMKDNWEZJQTKP-LBPRGKRZSA-N 1 0 398.301 2.844 20 0 GFADRO CCOC(=O)N1CC[C@@H]([NH2+][C@H](C)CC(=O)Nc2ccc(Br)cc2)C1 ZINC000186445149 655369553 /nfs/dbraw/zinc/36/95/53/655369553.db2.gz TUWJHCYYYUIDMG-IUODEOHRSA-N 1 0 398.301 2.987 20 0 GFADRO C[C@H](CNC(=O)c1ccc(NC(=O)c2ccc(Br)o2)cc1)[NH+](C)C ZINC000298747905 655374159 /nfs/dbraw/zinc/37/41/59/655374159.db2.gz LSGVQRDFOCCIOB-LLVKDONJSA-N 1 0 394.269 2.974 20 0 GFADRO Brc1cc(-c2nc(N3CC[NH2+]CC3)no2)c(Br)s1 ZINC000311102907 655379291 /nfs/dbraw/zinc/37/92/91/655379291.db2.gz COWXUTNTRPWLQK-UHFFFAOYSA-N 1 0 394.092 2.733 20 0 GFADRO NS(=O)(=O)c1cccc(C[NH2+][C@@H]2CCc3cc(Br)ccc32)c1 ZINC000314989818 655380820 /nfs/dbraw/zinc/38/08/20/655380820.db2.gz ZCYSUFWYKMGWEX-MRXNPFEDSA-N 1 0 381.295 2.874 20 0 GFADRO CC(C)[N@@H+]1CC[C@@H](CNc2cnn(CC(F)(F)F)c(=O)c2Br)C1 ZINC000322449961 655383115 /nfs/dbraw/zinc/38/31/15/655383115.db2.gz FSYOUQQJHKLMHI-JTQLQIEISA-N 1 0 397.239 2.710 20 0 GFADRO O=C1[C@@H]([NH2+][C@@H]2CCOc3c(Br)cccc32)CCN1C1CCOCC1 ZINC000328632921 655386989 /nfs/dbraw/zinc/38/69/89/655386989.db2.gz ARCDCCQFOYRAGQ-CVEARBPZSA-N 1 0 395.297 2.642 20 0 GFADRO Cc1nc(C(=O)N2CC[C@@]3(CCC[NH2+]3)C2)nn1-c1c(Cl)cccc1Cl ZINC000333873326 655388226 /nfs/dbraw/zinc/38/82/26/655388226.db2.gz UXNQRWPKQUHQGV-KRWDZBQOSA-N 1 0 380.279 2.851 20 0 GFADRO O=C1CN(Cc2cccc(Br)c2)C(=O)N1C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000349204751 655388528 /nfs/dbraw/zinc/38/85/28/655388528.db2.gz CBUBQZKONSASBF-CQSZACIVSA-N 1 0 392.297 2.698 20 0 GFADRO C[NH+](C)CCOc1ccccc1C(=O)Nc1nc(Br)ccc1O ZINC000189983766 655389571 /nfs/dbraw/zinc/38/95/71/655389571.db2.gz MTSSNNSRZRSSBA-UHFFFAOYSA-N 1 0 380.242 2.742 20 0 GFADRO COCCC[N@H+](C)CCN1C(=O)[C@H](c2ccc(Cl)c(Cl)c2)N(C)C1=O ZINC000349391524 655390083 /nfs/dbraw/zinc/39/00/83/655390083.db2.gz CUMDBJQSAWHJBK-HNNXBMFYSA-N 1 0 388.295 2.897 20 0 GFADRO O=C(C[NH2+][C@H]1c2ccccc2CC[C@H]1CO)Nc1ccc(Br)cn1 ZINC000365226619 655392340 /nfs/dbraw/zinc/39/23/40/655392340.db2.gz XKCPEJMACUTPAC-SCLBCKFNSA-N 1 0 390.281 2.668 20 0 GFADRO Cn1nc(Br)cc1C(=O)NC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000190498898 655392582 /nfs/dbraw/zinc/39/25/82/655392582.db2.gz ZZIKXERICDSOHL-UHFFFAOYSA-N 1 0 379.302 2.823 20 0 GFADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1[nH]c2ccccc2c1Br ZINC000365307990 655392988 /nfs/dbraw/zinc/39/29/88/655392988.db2.gz BKZOSUGHVWSFPG-NWDGAFQWSA-N 1 0 378.270 2.523 20 0 GFADRO O=C(NCC1CC[NH+](C2CC2)CC1)[C@@H]1Cc2cc(Br)ccc2O1 ZINC000365316687 655393228 /nfs/dbraw/zinc/39/32/28/655393228.db2.gz KYBQQJGXDZQROS-KRWDZBQOSA-N 1 0 379.298 2.743 20 0 GFADRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)c3csc(-c4ccsc4)n3)CC2)C1 ZINC000365345199 655394131 /nfs/dbraw/zinc/39/41/31/655394131.db2.gz AGXVQMASILTYJE-OAHLLOKOSA-N 1 0 376.551 2.724 20 0 GFADRO Cc1c(Br)ccc(NC(=O)N2CCC[N@@H+]([C@H](C)CO)CC2)c1F ZINC000366142659 655398692 /nfs/dbraw/zinc/39/86/92/655398692.db2.gz ORZUDKORLYEZQB-LLVKDONJSA-N 1 0 388.281 2.817 20 0 GFADRO O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)c1cccnc1SC(F)(F)F ZINC000366190694 655399593 /nfs/dbraw/zinc/39/95/93/655399593.db2.gz CTKHTGLXRWJOPY-GFCCVEGCSA-N 1 0 375.416 2.677 20 0 GFADRO C[NH+]1CCC(CC(=O)N[C@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)CC1 ZINC000366196950 655399831 /nfs/dbraw/zinc/39/98/31/655399831.db2.gz BQFCHPZBVYNXHT-HNNXBMFYSA-N 1 0 384.307 2.947 20 0 GFADRO Cc1ccc(Br)nc1C(=O)NCC1(N2CCOCC2)CCCCC1 ZINC000191804783 655400580 /nfs/dbraw/zinc/40/05/80/655400580.db2.gz WSFCUZNJIFUUSS-UHFFFAOYSA-N 1 0 396.329 2.917 20 0 GFADRO C[C@H](C(=O)N1CCC[N@H+](CC(C)(C)O)CC1)c1ccc(Br)s1 ZINC000366689289 655400834 /nfs/dbraw/zinc/40/08/34/655400834.db2.gz ZTRUBVZCNJCPEV-LBPRGKRZSA-N 1 0 389.359 2.919 20 0 GFADRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2Cn2c(=O)oc3cc(F)c(Br)cc32)C1 ZINC000192162694 655403017 /nfs/dbraw/zinc/40/30/17/655403017.db2.gz MEWDZJOJTLAFKJ-BXUZGUMPSA-N 1 0 398.276 2.870 20 0 GFADRO CN(Cc1ccc(Br)o1)C(=O)NCCC[NH2+]Cc1cccnc1 ZINC000418325716 655405403 /nfs/dbraw/zinc/40/54/03/655405403.db2.gz IWHIZWQIBVMKMM-UHFFFAOYSA-N 1 0 381.274 2.758 20 0 GFADRO CC[C@@H]([NH2+]C[C@H]1CS(=O)(=O)CCO1)c1ccc(Br)cc1Cl ZINC000517843096 655419049 /nfs/dbraw/zinc/41/90/49/655419049.db2.gz VIEQHLLRQSRNAE-SMDDNHRTSA-N 1 0 396.734 2.957 20 0 GFADRO C[NH+]1CCN(C[C@@H](NC(=O)c2occc2Br)c2ccccc2)CC1 ZINC000530955237 655420864 /nfs/dbraw/zinc/42/08/64/655420864.db2.gz WTPOZHBKAKGMRH-MRXNPFEDSA-N 1 0 392.297 2.761 20 0 GFADRO COC[C@H]([NH2+]CC(=O)Nc1c(Cl)cc(Cl)cc1C(=O)OC)C(C)C ZINC000541597226 655421478 /nfs/dbraw/zinc/42/14/78/655421478.db2.gz OIGQPSLSMUYGTN-ZDUSSCGKSA-N 1 0 377.268 2.979 20 0 GFADRO C[NH+]1CCC(N(CCO)C(=O)c2cccc(Br)c2Cl)CC1 ZINC000228436317 655423136 /nfs/dbraw/zinc/42/31/36/655423136.db2.gz NLMGEBQSCQNEOY-UHFFFAOYSA-N 1 0 375.694 2.631 20 0 GFADRO C[C@@H]([NH3+])[C@@H](C)C(=O)N(CCn1ccnc1)Cc1ccccc1Br ZINC000566067320 655424685 /nfs/dbraw/zinc/42/46/85/655424685.db2.gz VGFDSTVPLHMXCS-ZIAGYGMSSA-N 1 0 379.302 2.658 20 0 GFADRO COC(=O)c1cc(S(=O)(=O)N(C)CC[C@@H]([NH3+])C(C)C)c(Cl)cc1Cl ZINC000237142763 655425674 /nfs/dbraw/zinc/42/56/74/655425674.db2.gz MLIKNHKKEYWYHW-CYBMUJFWSA-N 1 0 397.324 2.774 20 0 GFADRO O=C(C[C@H]1CSCC[NH2+]1)N(Cc1ccccc1)C[C@@H](O)c1cccs1 ZINC000238108490 655426999 /nfs/dbraw/zinc/42/69/99/655426999.db2.gz XYOQYEYNFFJRCV-DLBZAZTESA-N 1 0 376.547 2.905 20 0 GFADRO Oc1ccc(Br)cc1C[NH2+]C[C@@H](O)CN1CCc2ccccc2C1 ZINC000238127773 655427025 /nfs/dbraw/zinc/42/70/25/655427025.db2.gz FZKLMDKAQURUNN-GOSISDBHSA-N 1 0 391.309 2.664 20 0 GFADRO COc1ccc(C[NH2+][C@@H]2CCC[C@@H]3CN(C(C)=O)C[C@@H]32)c(Br)c1O ZINC000574309496 655428624 /nfs/dbraw/zinc/42/86/24/655428624.db2.gz DRSVMOLEMKRCFI-QLFBSQMISA-N 1 0 397.313 2.900 20 0 GFADRO O=C(Nc1c[nH]cc(Br)c1=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000574790965 655430779 /nfs/dbraw/zinc/43/07/79/655430779.db2.gz IFOPIHGLIJITJP-CYBMUJFWSA-N 1 0 376.254 2.598 20 0 GFADRO C[C@H]([NH2+]C[C@@H](O)CN1C[C@@H](C)O[C@H](C)C1)c1ccc(Br)s1 ZINC000574896369 655433049 /nfs/dbraw/zinc/43/30/49/655433049.db2.gz NTWWTBXGKLOYFY-FVCCEPFGSA-N 1 0 377.348 2.631 20 0 GFADRO C[N@@H+]1CCC[C@H]2CN(Cc3cn(-c4ccccc4Br)nn3)CC[C@H]21 ZINC000575034833 655434446 /nfs/dbraw/zinc/43/44/46/655434446.db2.gz DKFJPNQMGOQCQE-WMLDXEAASA-N 1 0 390.329 2.946 20 0 GFADRO C[C@H](NC(=O)N[C@H](c1cncc(Br)c1)C1CC1)[C@H]1CCC[NH2+]C1 ZINC000575108864 655435806 /nfs/dbraw/zinc/43/58/06/655435806.db2.gz NDYQAHFKZZBRQR-RBOXIYTFSA-N 1 0 381.318 2.983 20 0 GFADRO CCNC(=O)C1(C[NH2+]C[C@H](O)COc2c(Cl)cccc2Cl)CCC1 ZINC000575117454 655435943 /nfs/dbraw/zinc/43/59/43/655435943.db2.gz OXVXFIMYURJNJH-LBPRGKRZSA-N 1 0 375.296 2.629 20 0 GFADRO O[C@@H](C[NH2+]C[C@@H](O)Cc1ccccc1)COc1cc(F)cc(Br)c1 ZINC000575803408 655437511 /nfs/dbraw/zinc/43/75/11/655437511.db2.gz MHKNSYPWAXMJJN-IRXDYDNUSA-N 1 0 398.272 2.521 20 0 GFADRO O=C(C[C@@H]1Sc2ccc(Cl)cc2NC1=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000575804112 655437532 /nfs/dbraw/zinc/43/75/32/655437532.db2.gz DPIUVHUAAJZNBR-YJBOKZPZSA-N 1 0 379.913 2.745 20 0 GFADRO O=C(/C=C\c1ccc(Cl)s1)N1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000255265623 655437955 /nfs/dbraw/zinc/43/79/55/655437955.db2.gz FPVZVEIWZSSKRB-FZSTZKMBSA-N 1 0 381.929 2.522 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+][C@H](c2ccccc2)[C@H]2CCOC2)cc1Cl ZINC000575850100 655438474 /nfs/dbraw/zinc/43/84/74/655438474.db2.gz OETVHUSYZWFTBA-MAUKXSAKSA-N 1 0 380.897 2.855 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1CN1CCC[C@H]([C@H](C)O)C1 ZINC000575870450 655438946 /nfs/dbraw/zinc/43/89/46/655438946.db2.gz RLDNNQZEXXKKPC-IHRRRGAJSA-N 1 0 399.329 2.555 20 0 GFADRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)/C=C\c1ccc(I)o1 ZINC000255565889 655439607 /nfs/dbraw/zinc/43/96/07/655439607.db2.gz XSRBVBFHKHESJB-QGSKFPASSA-N 1 0 388.249 2.696 20 0 GFADRO Cc1ccc(Br)cc1S(=O)(=O)N1C[C@@H]([NH3+])Cc2ccccc21 ZINC000261936087 655443056 /nfs/dbraw/zinc/44/30/56/655443056.db2.gz KIIVWJQEBCVCMS-AWEZNQCLSA-N 1 0 381.295 2.836 20 0 GFADRO CSc1ccc(OC[C@H](O)C[NH2+]C2CCN(CC(F)(F)F)CC2)cc1 ZINC000576100657 655443370 /nfs/dbraw/zinc/44/33/70/655443370.db2.gz WJGJEEJOGGHHIY-CQSZACIVSA-N 1 0 378.460 2.765 20 0 GFADRO O=C1[C@@H]([NH2+]Cc2cnn(-c3ccc(Br)cc3)c2)C[C@@H]2CCCCN12 ZINC000576110820 655443670 /nfs/dbraw/zinc/44/36/70/655443670.db2.gz OCAMJVNEFINYDY-IRXDYDNUSA-N 1 0 389.297 2.878 20 0 GFADRO CC(C)[N@@H+]1CC[C@H](N(C)CN2C(=O)N[C@@](C)(c3ccc(Cl)s3)C2=O)C1 ZINC000840153405 661141339 /nfs/dbraw/zinc/14/13/39/661141339.db2.gz QOVNYNSNFVUOCY-SJCJKPOMSA-N 1 0 384.933 2.541 20 0 GFADRO CC(C)N1CC[C@H]([N@H+](C)Cn2nc(Br)c(=O)c3ccccc32)C1 ZINC000840155426 661141780 /nfs/dbraw/zinc/14/17/80/661141780.db2.gz XVDJZAFGHAJVSB-ZDUSSCGKSA-N 1 0 379.302 2.531 20 0 GFADRO CO[C@@H](C[NH3+])CC(=O)NCC(C)(C)Sc1ccc(Br)cc1 ZINC000262831223 655447262 /nfs/dbraw/zinc/44/72/62/655447262.db2.gz HWZOOBROSGQIOC-GFCCVEGCSA-N 1 0 375.332 2.800 20 0 GFADRO COCC[NH+](CCOC)C1CCN(Cc2ncc(C(F)(F)F)s2)CC1 ZINC000576433403 655447265 /nfs/dbraw/zinc/44/72/65/655447265.db2.gz PHVVZYJMOGBKER-UHFFFAOYSA-N 1 0 381.464 2.721 20 0 GFADRO O=C(NCC1=CC[NH2+]CC1)N1CCO[C@H](c2ccc(F)c(Br)c2)C1 ZINC000576730214 655451707 /nfs/dbraw/zinc/45/17/07/655451707.db2.gz GYFQPXFZCSKGAI-INIZCTEOSA-N 1 0 398.276 2.591 20 0 GFADRO CSC1(CNS(=O)(=O)c2ccc3nc(C)sc3c2)CC[NH+](C)CC1 ZINC000576768169 655452224 /nfs/dbraw/zinc/45/22/24/655452224.db2.gz BLHIXBHQZBRSPM-UHFFFAOYSA-N 1 0 385.580 2.710 20 0 GFADRO Cc1cc(F)c(Br)cc1S(=O)(=O)N1CC2CCC1(C[NH3+])CC2 ZINC000576767831 655452258 /nfs/dbraw/zinc/45/22/58/655452258.db2.gz RLDCLUBTXGSGEY-UHFFFAOYSA-N 1 0 391.306 2.789 20 0 GFADRO C[NH+](C)Cc1ccccc1NC(=O)CCn1cc(Br)ccc1=O ZINC000576843752 655452876 /nfs/dbraw/zinc/45/28/76/655452876.db2.gz KCJHOFNRHGTFDC-UHFFFAOYSA-N 1 0 378.270 2.701 20 0 GFADRO COc1cc(Br)c(NC(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1OC ZINC000576925080 655454856 /nfs/dbraw/zinc/45/48/56/655454856.db2.gz INQRSEPMBZFZDH-QJPTWQEYSA-N 1 0 398.301 2.976 20 0 GFADRO O=S1(=O)CCCN1C1CC[NH+](Cn2ccc(=S)c3ccccc32)CC1 ZINC000840170715 661143490 /nfs/dbraw/zinc/14/34/90/661143490.db2.gz RJMTYNAWOLKOOU-UHFFFAOYSA-N 1 0 377.535 2.828 20 0 GFADRO [NH3+]C[C@@H]1CC[C@H](NS(=O)(=O)Cc2cc(Cl)ccc2Br)C1 ZINC000577373430 655458158 /nfs/dbraw/zinc/45/81/58/655458158.db2.gz QRGCFOAVDRFKKY-SKDRFNHKSA-N 1 0 381.723 2.649 20 0 GFADRO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)Nc1ccc(C(F)(F)F)c(Br)c1 ZINC000577396417 655458674 /nfs/dbraw/zinc/45/86/74/655458674.db2.gz XXVGMFUBUMQZCW-YUMQZZPRSA-N 1 0 396.207 2.648 20 0 GFADRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1ccccc1-n1cc(Br)cn1 ZINC000577458380 655459982 /nfs/dbraw/zinc/45/99/82/655459982.db2.gz ICHCWQMVLJLWTK-MLGOLLRUSA-N 1 0 389.297 2.847 20 0 GFADRO C[C@]1(c2ccc(Br)cc2)CC(=O)N(CCC2CC[NH2+]CC2)C1=O ZINC000577501199 655461185 /nfs/dbraw/zinc/46/11/85/655461185.db2.gz XGOIOPYZPBZBNR-GOSISDBHSA-N 1 0 379.298 2.855 20 0 GFADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)CCCOc1ccc(Cl)cc1Cl ZINC000264434558 655463660 /nfs/dbraw/zinc/46/36/60/655463660.db2.gz MRAGWMGJDNTUED-AWEZNQCLSA-N 1 0 388.339 2.905 20 0 GFADRO C[N@@H+]1CC[C@H]2CCN(c3ncnc4cccc(I)c43)[C@@H]2C1 ZINC000577670967 655464306 /nfs/dbraw/zinc/46/43/06/655464306.db2.gz JPEQAVPFMSNOCL-SMDDNHRTSA-N 1 0 394.260 2.765 20 0 GFADRO C[N@@H+]1CC[C@H]2CCN(c3ncnc4cccc(I)c43)[C@H]2C1 ZINC000577670965 655464332 /nfs/dbraw/zinc/46/43/32/655464332.db2.gz JPEQAVPFMSNOCL-FZMZJTMJSA-N 1 0 394.260 2.765 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)[C@H](C)[NH+]1CC(C)C1 ZINC000577742933 655466231 /nfs/dbraw/zinc/46/62/31/655466231.db2.gz KDHHDHIGQOYNJG-ZDUSSCGKSA-N 1 0 382.302 2.543 20 0 GFADRO O=C(C[C@@H]1C[NH2+]CCO1)N1CCCC[C@@H]1Cc1cccc(Br)c1 ZINC000577749802 655466447 /nfs/dbraw/zinc/46/64/47/655466447.db2.gz UMOYHLLKCSOVTP-IAGOWNOFSA-N 1 0 381.314 2.751 20 0 GFADRO CN(CCCN1CC[NH+](C)CC1)C(=O)Cc1csc(-c2cccs2)n1 ZINC000264657623 655468018 /nfs/dbraw/zinc/46/80/18/655468018.db2.gz UQRVWHBTKWIGEF-UHFFFAOYSA-N 1 0 378.567 2.510 20 0 GFADRO O[C@@H](C[NH2+]CCCc1ccc(Br)cc1F)COC1CCOCC1 ZINC000577842383 655468149 /nfs/dbraw/zinc/46/81/49/655468149.db2.gz UFNOCUSNIWEWIM-HNNXBMFYSA-N 1 0 390.293 2.667 20 0 GFADRO CSC[C@H](O)C[NH2+][C@H]1CCCN(c2ccc(Br)c(C)c2)C1=O ZINC000577842906 655468373 /nfs/dbraw/zinc/46/83/73/655468373.db2.gz MPQNGMMFWSSLAV-HIFRSBDPSA-N 1 0 387.343 2.566 20 0 GFADRO C[C@H](Sc1cc(Cl)ccc1Cl)C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000264753580 655469676 /nfs/dbraw/zinc/46/96/76/655469676.db2.gz SVJUBRJOJJBTHO-WCQYABFASA-N 1 0 376.353 2.836 20 0 GFADRO O=C(CC[N@@H+]1CCO[C@@]2(CCSC2)C1)Nc1ccccc1Br ZINC000578009801 655471068 /nfs/dbraw/zinc/47/10/68/655471068.db2.gz FZCFQVBYXXYMMP-INIZCTEOSA-N 1 0 385.327 2.986 20 0 GFADRO O=S(=O)(Cc1ccccc1C(F)(F)F)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000578322932 655476789 /nfs/dbraw/zinc/47/67/89/655476789.db2.gz SNNVBZBYBXZDEX-ZIAGYGMSSA-N 1 0 376.444 2.857 20 0 GFADRO CC(C)C(=O)N1CCC([NH2+]Cc2nc3ccccn3c2Br)CC1 ZINC000265100028 655477466 /nfs/dbraw/zinc/47/74/66/655477466.db2.gz RRDJOECXRWVIEW-UHFFFAOYSA-N 1 0 379.302 2.833 20 0 GFADRO C[C@H](C(=O)N(C)CCC[N@H+](C)CCN(C)C)c1ccc(Br)cc1 ZINC000578467676 655479735 /nfs/dbraw/zinc/47/97/35/655479735.db2.gz CKXKOAQMPGZHHS-HNNXBMFYSA-N 1 0 384.362 2.895 20 0 GFADRO C[NH+](C)CCOc1ccc(NC(=O)C2(S(C)(=O)=O)CCCC2)cc1Cl ZINC000265358374 655481880 /nfs/dbraw/zinc/48/18/80/655481880.db2.gz LQHGBBQCHSNYRM-UHFFFAOYSA-N 1 0 388.917 2.576 20 0 GFADRO CCC[N@H+](CC)C[C@@H](C)NC(=O)C(=O)Nc1cccc(C)c1Br ZINC000578583606 655482170 /nfs/dbraw/zinc/48/21/70/655482170.db2.gz JFDDARGLCNCYJX-CYBMUJFWSA-N 1 0 384.318 2.933 20 0 GFADRO O=C(N[C@H](c1ccsc1)c1ccc(Cl)cc1)N1CCOC2(C[NH2+]C2)C1 ZINC000578608798 655482880 /nfs/dbraw/zinc/48/28/80/655482880.db2.gz RMJUMGXHQUFTFM-INIZCTEOSA-N 1 0 377.897 2.875 20 0 GFADRO CO[C@H]1CCN(C(=O)Cc2csc(-c3ccc(Cl)cc3)n2)[C@@H](C[NH3+])C1 ZINC000578630827 655483404 /nfs/dbraw/zinc/48/34/04/655483404.db2.gz CYLPHMAWZPWTEM-CVEARBPZSA-N 1 0 379.913 2.971 20 0 GFADRO C[NH2+][C@H]1CCCN(C(=O)Nc2ccc(I)cc2F)C1 ZINC000578669850 655484267 /nfs/dbraw/zinc/48/42/67/655484267.db2.gz USOXLWUFVRBPJK-JTQLQIEISA-N 1 0 377.201 2.646 20 0 GFADRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)N(C)Cc1cc(Cl)cc(Cl)c1 ZINC000578678015 655484585 /nfs/dbraw/zinc/48/45/85/655484585.db2.gz YKGGYVQZRCCVDM-BDJLRTHQSA-N 1 0 384.307 2.551 20 0 GFADRO O=C(CC[N@@H+]1CCC[C@H](N2CCOCC2)C1)Nc1ccc(Br)cc1 ZINC000578784135 655487003 /nfs/dbraw/zinc/48/70/03/655487003.db2.gz BHDXXGTYLOCJCF-KRWDZBQOSA-N 1 0 396.329 2.574 20 0 GFADRO C[NH+](C)CCCCNC(=O)c1nn(-c2ccc(F)cc2)cc1Br ZINC000265616212 655487178 /nfs/dbraw/zinc/48/71/78/655487178.db2.gz YKHJTARHYWPHQI-UHFFFAOYSA-N 1 0 383.265 2.846 20 0 GFADRO O=C(NC[C@@H]1C[NH2+]CCO1)N1CCC(Cc2cc(Cl)ccc2Cl)CC1 ZINC000578865160 655488153 /nfs/dbraw/zinc/48/81/53/655488153.db2.gz UMUGYIHUYIJQRA-INIZCTEOSA-N 1 0 386.323 2.946 20 0 GFADRO C[NH+](C)Cc1ccc(S(=O)(=O)NC[C@H]2CSc3ccccc3O2)cc1 ZINC000579001005 655491263 /nfs/dbraw/zinc/49/12/63/655491263.db2.gz DKNXXWNZHMSYEE-HNNXBMFYSA-N 1 0 378.519 2.580 20 0 GFADRO CS(=O)(=O)CCCCC[NH2+]CCC(=O)Nc1ccc(Br)cc1 ZINC000578999519 655491343 /nfs/dbraw/zinc/49/13/43/655491343.db2.gz IRPGXLQFSDXVCZ-UHFFFAOYSA-N 1 0 391.331 2.582 20 0 GFADRO C[NH+]1CCC(O)(CNC(=O)Nc2cc(F)ccc2SCC(F)F)CC1 ZINC000265925540 655493394 /nfs/dbraw/zinc/49/33/94/655493394.db2.gz KCCRDCHRTHJHFY-UHFFFAOYSA-N 1 0 377.432 2.761 20 0 GFADRO COc1cc(C[NH2+]CC2([S@](C)=O)CCC2)cc(OC)c1OCC(F)F ZINC000579165423 655495065 /nfs/dbraw/zinc/49/50/65/655495065.db2.gz CQCRPVCWJDDWDE-VWLOTQADSA-N 1 0 377.453 2.739 20 0 GFADRO C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCC[C@H]1c1ccccc1I ZINC000579232857 655496196 /nfs/dbraw/zinc/49/61/96/655496196.db2.gz ILZZZZPJHSYVOH-HUBLWGQQSA-N 1 0 384.261 2.953 20 0 GFADRO C[NH+](C)CCCCC(=O)NCc1ccc(Br)cc1N1CCOCC1 ZINC000579308877 655497549 /nfs/dbraw/zinc/49/75/49/655497549.db2.gz BGWGFNVYTUVYLN-UHFFFAOYSA-N 1 0 398.345 2.634 20 0 GFADRO C[C@H](NC(=O)N1CCC[C@H]1C[NH+]1CCCC1)c1ncc(Br)cn1 ZINC000579324316 655498008 /nfs/dbraw/zinc/49/80/08/655498008.db2.gz PFQUYGOGJNQBGA-JSGCOSHPSA-N 1 0 382.306 2.570 20 0 GFADRO C[C@@H](NC(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C)c1ncc(Br)cn1 ZINC000579579029 655501625 /nfs/dbraw/zinc/50/16/25/655501625.db2.gz VPOKFCXJNCTABF-FRRDWIJNSA-N 1 0 384.322 2.862 20 0 GFADRO C[NH2+]C[C@@H]1CCN(C(=O)c2c(C)nn(-c3ccc(Br)cc3)c2C)C1 ZINC000579712287 655502910 /nfs/dbraw/zinc/50/29/10/655502910.db2.gz NHPCESDCRCLGBH-AWEZNQCLSA-N 1 0 391.313 2.933 20 0 GFADRO CCN(Cc1cccc(Br)c1)C(=O)C(=O)NC[C@@H](C)[NH+](CC)CC ZINC000579777388 655503902 /nfs/dbraw/zinc/50/39/02/655503902.db2.gz IACSMBBODFYYPJ-CQSZACIVSA-N 1 0 398.345 2.644 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)CCc2ccccc2Br)CC12CCOCC2 ZINC000580072592 655507937 /nfs/dbraw/zinc/50/79/37/655507937.db2.gz NPBIZGMSBZKHDK-OAHLLOKOSA-N 1 0 381.314 2.596 20 0 GFADRO CC[N@@H+]1CC[C@H]2OCCN(S(=O)(=O)Cc3ccc(Cl)c(Cl)c3)[C@H]2C1 ZINC000580101400 655508462 /nfs/dbraw/zinc/50/84/62/655508462.db2.gz QAFFANMVGCZWDC-JKSUJKDBSA-N 1 0 393.336 2.618 20 0 GFADRO CC[NH+](CC)CCS(=O)(=O)N[C@@](C)(CC)COc1ncccc1Cl ZINC000580133711 655508715 /nfs/dbraw/zinc/50/87/15/655508715.db2.gz WTDIDGAJMYMPLK-INIZCTEOSA-N 1 0 377.938 2.544 20 0 GFADRO O=C(N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)c1cc(Br)cnc1F ZINC000700922483 655521591 /nfs/dbraw/zinc/52/15/91/655521591.db2.gz LAJRMYHKGCHGLH-ZSHCYNCHSA-N 1 0 390.256 2.843 20 0 GFADRO CC(C)(C[NH3+])C1CCN(S(=O)(=O)c2sccc2Br)CC1 ZINC000714451386 655522922 /nfs/dbraw/zinc/52/29/22/655522922.db2.gz IFUUQJIUEPLWES-UHFFFAOYSA-N 1 0 381.361 2.896 20 0 GFADRO CC1(CC[NH2+]Cc2ncc(Br)cc2Br)OCCO1 ZINC000716035107 655523407 /nfs/dbraw/zinc/52/34/07/655523407.db2.gz UUDUYXLQQDSYJB-UHFFFAOYSA-N 1 0 380.080 2.849 20 0 GFADRO C[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1NC(=O)c1cnn(C)c1Br ZINC000716184657 655523488 /nfs/dbraw/zinc/52/34/88/655523488.db2.gz QJGAQBFIGZFBML-CZUORRHYSA-N 1 0 391.313 2.823 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)c2cccc(I)c2)C[C@H]1C(F)(F)F ZINC000720815157 655524678 /nfs/dbraw/zinc/52/46/78/655524678.db2.gz HRVWJORGBAREED-GXSJLCMTSA-N 1 0 398.166 2.500 20 0 GFADRO Cc1ccc(/C=C/C(=O)NCCCN2CC[NH+](C)CC2)c(Br)c1 ZINC000726504967 655535746 /nfs/dbraw/zinc/53/57/46/655535746.db2.gz SEXYXHXOVFWVHY-VOTSOKGWSA-N 1 0 380.330 2.524 20 0 GFADRO CCS(=O)(=O)Nc1ccc(NC(=S)NCC(C)(C)C[NH+](C)C)cc1C ZINC000727079912 655541557 /nfs/dbraw/zinc/54/15/57/655541557.db2.gz XQLKRJVNMHFQHN-UHFFFAOYSA-N 1 0 386.587 2.631 20 0 GFADRO CN(C(=O)NC[C@@H]1CC1(Cl)Cl)C1CC[NH+](CCc2ccccn2)CC1 ZINC000727224160 655543282 /nfs/dbraw/zinc/54/32/82/655543282.db2.gz HXFZBGWRJQFUTA-AWEZNQCLSA-N 1 0 385.339 2.924 20 0 GFADRO COc1ccc2nc(Cl)ccc2c1S(=O)(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000727835969 655550231 /nfs/dbraw/zinc/55/02/31/655550231.db2.gz DWBXSOYUIOFPFV-LLVKDONJSA-N 1 0 383.901 2.658 20 0 GFADRO CC/C=C(/C)C(=O)N1CSC[C@@H]1C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000728019066 655551669 /nfs/dbraw/zinc/55/16/69/655551669.db2.gz RAQGTCLVLYLTSG-VBUBNCOFSA-N 1 0 381.567 2.725 20 0 GFADRO C[C@H]1CCc2c(sc(=O)n2CN2CC[NH+](CCc3cccs3)CC2)C1 ZINC000728045429 655551855 /nfs/dbraw/zinc/55/18/55/655551855.db2.gz SCZGGJYYBDKFQE-HNNXBMFYSA-N 1 0 377.579 2.914 20 0 GFADRO Cn1nc(Br)c2c1ncnc2NCC[N@H+](C)Cc1ccccc1 ZINC000728050100 655551868 /nfs/dbraw/zinc/55/18/68/655551868.db2.gz GNAGAEKTCNANDM-UHFFFAOYSA-N 1 0 375.274 2.670 20 0 GFADRO Cc1nn(C)c(Cl)c1S(=O)(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000729267809 655563687 /nfs/dbraw/zinc/56/36/87/655563687.db2.gz OLNJFKMDEOFYDN-LBPRGKRZSA-N 1 0 384.933 2.790 20 0 GFADRO O[C@@H](COc1ccc(Cl)c(Cl)c1)C[N@@H+]1CCCC[C@H]1C1OCCO1 ZINC000729543664 655565930 /nfs/dbraw/zinc/56/59/30/655565930.db2.gz LYTJLFCCZIOEIZ-WBMJQRKESA-N 1 0 376.280 2.961 20 0 GFADRO CN(C)C(=O)CC[NH+]1CCC(NCc2ccc(CSC(F)F)o2)CC1 ZINC000731452994 655583630 /nfs/dbraw/zinc/58/36/30/655583630.db2.gz BJNQPHAVIUJFLZ-UHFFFAOYSA-N 1 0 375.485 2.768 20 0 GFADRO O[C@@H](C[N@@H+]1CCCC[C@H]1CN1CCOCC1)c1ccc(Br)cc1 ZINC000731847395 655587553 /nfs/dbraw/zinc/58/75/53/655587553.db2.gz HWYLNLASDDEHSE-ROUUACIJSA-N 1 0 383.330 2.669 20 0 GFADRO O=C1CCCCN1[C@H]1CCC[N@@H+](C[C@@H](O)c2ccc(Br)cc2)C1 ZINC000732809663 655602391 /nfs/dbraw/zinc/60/23/91/655602391.db2.gz XPVHFPFJVFOSQY-DLBZAZTESA-N 1 0 381.314 2.959 20 0 GFADRO CCCC[N@H+](C)CCNS(=O)(=O)c1c(OC)ccc2nc(Cl)ccc21 ZINC000732815338 655602804 /nfs/dbraw/zinc/60/28/04/655602804.db2.gz LOYIIFDDCHRGSD-UHFFFAOYSA-N 1 0 385.917 2.907 20 0 GFADRO Cc1cc(NC(=O)NCC[NH+]2CCSCC2)ccc1N1CCSCC1 ZINC000732880365 655604092 /nfs/dbraw/zinc/60/40/92/655604092.db2.gz CWUZLVKEMWCGDW-UHFFFAOYSA-N 1 0 380.583 2.719 20 0 GFADRO CC(C)[C@H](C[NH+](C)C)NC(=O)c1ccc(-n2cc(Br)cn2)cc1 ZINC000733165130 655608553 /nfs/dbraw/zinc/60/85/53/655608553.db2.gz HIXJOMRRMKTBIO-INIZCTEOSA-N 1 0 379.302 2.951 20 0 GFADRO CC(C)[C@H](C[NH+](C)C)NC(=O)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000733169108 655608718 /nfs/dbraw/zinc/60/87/18/655608718.db2.gz ZORWLLYKJPFFBX-CJNGLKHVSA-N 1 0 396.329 2.504 20 0 GFADRO O=C(Cc1ccc(Cl)cc1Br)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000733256070 655610833 /nfs/dbraw/zinc/61/08/33/655610833.db2.gz BBGQEPFWJXRRSE-KBPBESRZSA-N 1 0 387.705 2.624 20 0 GFADRO C[N@@H+]1CC[C@@H](C(=O)Nc2cc(Br)cnc2OCC(F)(F)F)C1 ZINC000734143676 655627015 /nfs/dbraw/zinc/62/70/15/655627015.db2.gz KDWJWCOHSLMNKB-MRVPVSSYSA-N 1 0 382.180 2.675 20 0 GFADRO O=S(=O)(NC1CC[NH+](C[C@H]2CCCO2)CC1)c1cccc(Cl)c1Cl ZINC000734244477 655628517 /nfs/dbraw/zinc/62/85/17/655628517.db2.gz TWTZQODPKONHNS-CYBMUJFWSA-N 1 0 393.336 2.915 20 0 GFADRO CN(C[C@@H](O)c1cccc(Br)c1)C(=O)CCN(C)c1cc[nH+]cc1 ZINC000840509706 661166913 /nfs/dbraw/zinc/16/69/13/661166913.db2.gz PVDOQNGYYHHAMK-QGZVFWFLSA-N 1 0 392.297 2.862 20 0 GFADRO C[NH+](C)CCNC(=S)Nc1cccc(C[S@](=O)Cc2ccccc2)c1 ZINC000734763431 655634322 /nfs/dbraw/zinc/63/43/22/655634322.db2.gz UGWVNLHLAIFKJH-RUZDIDTESA-N 1 0 375.563 2.984 20 0 GFADRO COc1ccc(C(=O)OC[C@@H]2C[N@H+](CC(C)C)CCO2)c(Br)c1 ZINC000735890635 655654733 /nfs/dbraw/zinc/65/47/33/655654733.db2.gz IQJBUNJHOSDPPT-AWEZNQCLSA-N 1 0 386.286 2.971 20 0 GFADRO CCCCS(=O)(=O)Nc1ccc(NC(=S)NC2CC[NH+](C)CC2)cc1 ZINC000740768314 655699054 /nfs/dbraw/zinc/69/90/54/655699054.db2.gz FGALZNYFGANLAT-UHFFFAOYSA-N 1 0 384.571 2.609 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)C(=O)Nc2ccccc2SC(F)(F)F)CC[N@@H+]1C ZINC000743930769 655732717 /nfs/dbraw/zinc/73/27/17/655732717.db2.gz ISBMWZKQBKWLRT-GHMZBOCLSA-N 1 0 375.416 2.836 20 0 GFADRO C[C@@H]1CCC[N@@H+]1CCNC(=O)C(=O)Nc1ccc(Br)cc1Cl ZINC000743983882 655733642 /nfs/dbraw/zinc/73/36/42/655733642.db2.gz YTPPBSWWEZQNOW-SNVBAGLBSA-N 1 0 388.693 2.642 20 0 GFADRO OCCC[N@@H+]1CCC[C@H]1CNC(=S)Nc1cccc(OC(F)(F)F)c1 ZINC000840777583 661186894 /nfs/dbraw/zinc/18/68/94/661186894.db2.gz WASXBLRCXADRGO-ZDUSSCGKSA-N 1 0 377.432 2.718 20 0 GFADRO COC(=O)/C(C)=C/C[N@@H+]1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000746501571 655762777 /nfs/dbraw/zinc/76/27/77/655762777.db2.gz DLPPHJVQXVIWJZ-BWODNOAJSA-N 1 0 396.285 2.614 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CNC(=S)NCCc1ccc(OC)c(OC)c1Cl ZINC000840753566 661183644 /nfs/dbraw/zinc/18/36/44/661183644.db2.gz XSCOUBWUIODPDI-AWEZNQCLSA-N 1 0 385.961 2.848 20 0 GFADRO Cc1cc(Br)ccc1SCC(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000747230820 655774581 /nfs/dbraw/zinc/77/45/81/655774581.db2.gz AHRXUTCZEPXVDI-CABCVRRESA-N 1 0 399.354 2.829 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)c2cn(-c3ccccc3Br)nn2)C1 ZINC000749453200 655805165 /nfs/dbraw/zinc/80/51/65/655805165.db2.gz JODFIGBIACPYMP-QWHCGFSZSA-N 1 0 392.301 2.632 20 0 GFADRO C[C@@H]1C[NH+](CN2C(=O)N[C@@](C)(c3ccccc3Br)C2=O)C[C@H]1C ZINC000751926821 655836084 /nfs/dbraw/zinc/83/60/84/655836084.db2.gz IGVPKMGEYAOYGN-QFSBIZTOSA-N 1 0 380.286 2.761 20 0 GFADRO C[C@@H]1C[NH+](CN2C(=O)N[C@@](C)(c3ccc(Br)cc3)C2=O)C[C@H]1C ZINC000751924646 655836136 /nfs/dbraw/zinc/83/61/36/655836136.db2.gz CMHQYLCVYZZDIE-QFSBIZTOSA-N 1 0 380.286 2.761 20 0 GFADRO O[C@@H](CN1CCC[N@H+](C[C@@H]2CCCO2)CC1)c1ccccc1Br ZINC000751959253 655836782 /nfs/dbraw/zinc/83/67/82/655836782.db2.gz ULYNTHLSAROIAZ-YJBOKZPZSA-N 1 0 383.330 2.669 20 0 GFADRO O=C(Nn1cc(Br)cn1)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000752905265 655848042 /nfs/dbraw/zinc/84/80/42/655848042.db2.gz MVUYLKIWGBQCMS-ZDUSSCGKSA-N 1 0 381.249 2.767 20 0 GFADRO C[NH+](C)[C@@]1(CNC(=O)Nc2ccc([S@@](=O)C(F)(F)F)cc2)CCSC1 ZINC000754449881 655867824 /nfs/dbraw/zinc/86/78/24/655867824.db2.gz HGWUAULBYOUEKY-DLUDVSRJSA-N 1 0 395.472 2.873 20 0 GFADRO Cc1ccc([C@@H](C)[NH2+]CC(=O)Nc2cc(S(N)(=O)=O)cc(C)c2C)s1 ZINC000754670338 655871119 /nfs/dbraw/zinc/87/11/19/655871119.db2.gz MVHCJUBYUKNVDN-CYBMUJFWSA-N 1 0 381.523 2.610 20 0 GFADRO Cc1ccc([C@H](C)[NH2+]CC(=O)Nc2cc(S(N)(=O)=O)cc(C)c2C)s1 ZINC000754670341 655871152 /nfs/dbraw/zinc/87/11/52/655871152.db2.gz MVHCJUBYUKNVDN-ZDUSSCGKSA-N 1 0 381.523 2.610 20 0 GFADRO CN1CC[C@@H](NC(=S)NC2CC[NH+](C)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000754693172 655871506 /nfs/dbraw/zinc/87/15/06/655871506.db2.gz UAMUQXBEGOGFKJ-SJORKVTESA-N 1 0 384.952 2.783 20 0 GFADRO C[C@@H]([NH2+]CCC(C)(C)S(C)(=O)=O)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000840876901 661198060 /nfs/dbraw/zinc/19/80/60/661198060.db2.gz QSEJJPXMPGTMPK-CQSZACIVSA-N 1 0 376.563 2.825 20 0 GFADRO O=S(=O)(CC[NH2+][C@@H](c1ccc(Br)cc1)[C@@H]1CCCO1)C1CC1 ZINC000840884646 661198570 /nfs/dbraw/zinc/19/85/70/661198570.db2.gz RZHJEWIVMISETJ-HOTGVXAUSA-N 1 0 388.327 2.836 20 0 GFADRO CS(=O)(=O)c1ccc(C[NH2+]C[C@H](O)c2ccccc2C(F)(F)F)s1 ZINC000840885344 661198657 /nfs/dbraw/zinc/19/86/57/661198657.db2.gz CHPZOGXZASWSKM-ZDUSSCGKSA-N 1 0 379.425 2.994 20 0 GFADRO O=c1c(Br)nn(C[N@@H+]2CCC[C@H](n3ccnc3)C2)c2ccccc12 ZINC000755745019 655888278 /nfs/dbraw/zinc/88/82/78/655888278.db2.gz LLFYWBGBRIQRBT-ZDUSSCGKSA-N 1 0 388.269 2.650 20 0 GFADRO C[N@H+](CCCNC(=O)C1CCC1)C[C@@H](O)c1ccc(F)c(Br)c1 ZINC000759999471 655967428 /nfs/dbraw/zinc/96/74/28/655967428.db2.gz MGUOKSUVWHPNAF-MRXNPFEDSA-N 1 0 387.293 2.860 20 0 GFADRO C[NH+]1CCC(CNC(=S)NNc2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000760465506 655981770 /nfs/dbraw/zinc/98/17/70/655981770.db2.gz HDMQAEZMQRKSSM-UHFFFAOYSA-N 1 0 381.855 2.887 20 0 GFADRO CC[NH+]1CCC(CN2C(=O)N[C@](C)(c3cccc(Br)c3)C2=O)CC1 ZINC000761119233 655999012 /nfs/dbraw/zinc/99/90/12/655999012.db2.gz IUBDNBLMAGEMMC-GOSISDBHSA-N 1 0 394.313 2.948 20 0 GFADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]C1CCC(F)(F)CC1 ZINC000761337330 656012251 /nfs/dbraw/zinc/01/22/51/656012251.db2.gz SROWXZDXZWSQTE-GFCCVEGCSA-N 1 0 381.876 2.872 20 0 GFADRO CC(C)(C)OC(=O)N1C[C@@H](F)C[C@H]1C[NH2+]Cc1ccc(S(C)(=O)=O)s1 ZINC000840950257 661216716 /nfs/dbraw/zinc/21/67/16/661216716.db2.gz LPRWFMZMYJGFDD-RYUDHWBXSA-N 1 0 392.518 2.589 20 0 GFADRO CC(C)n1ncc2cc(C[NH2+]CC3(CS(C)(=O)=O)CCC3)c(Cl)nc21 ZINC000840974424 661222745 /nfs/dbraw/zinc/22/27/45/661222745.db2.gz AHUNOSIREDERIA-UHFFFAOYSA-N 1 0 384.933 2.970 20 0 GFADRO CN1CC[NH+](CC2CCN(C(=O)c3cc(Cl)c(N)c(Cl)c3)CC2)CC1 ZINC000764362867 656109291 /nfs/dbraw/zinc/10/92/91/656109291.db2.gz UEOQJHUJKHHROP-UHFFFAOYSA-N 1 0 385.339 2.675 20 0 GFADRO Cc1c(Cl)cccc1NC(=S)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000764503212 656112315 /nfs/dbraw/zinc/11/23/15/656112315.db2.gz LRUOJQYWUUAGHX-MRXNPFEDSA-N 1 0 380.945 2.584 20 0 GFADRO CCc1nc2c(s1)[C@@H]([NH2+]CCNS(=O)(=O)Cc1ccccc1)CCC2 ZINC000765278569 656139482 /nfs/dbraw/zinc/13/94/82/656139482.db2.gz JUYNPZNFGNABHE-HNNXBMFYSA-N 1 0 379.551 2.792 20 0 GFADRO O=S(=O)(Cc1ccccc1)NCC[NH2+][C@H]1CSCCc2ccccc21 ZINC000765281899 656139495 /nfs/dbraw/zinc/13/94/95/656139495.db2.gz WNKFYCDNMWZTRQ-IBGZPJMESA-N 1 0 376.547 2.726 20 0 GFADRO COc1ccc(Br)c(C(=O)NCCC[NH2+][C@@H](C)C[C@H]2CCOC2)c1 ZINC000765886641 656154153 /nfs/dbraw/zinc/15/41/53/656154153.db2.gz VDAHPQRVJYADNA-UONOGXRCSA-N 1 0 399.329 2.982 20 0 GFADRO CC[NH+](CC)CCN(CCOC)C(=O)c1sc(Br)nc1C ZINC000841106972 661233790 /nfs/dbraw/zinc/23/37/90/661233790.db2.gz MJRCGOFGEGURSF-UHFFFAOYSA-N 1 0 378.336 2.644 20 0 GFADRO COc1cc(S(=O)(=O)N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cnc1Cl ZINC000767842078 656223116 /nfs/dbraw/zinc/22/31/16/656223116.db2.gz FBYGYAOMXYBAKC-STQMWFEESA-N 1 0 387.933 2.675 20 0 GFADRO C[NH+]1CCC(NC(=S)N(CCO)Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000767926110 656227756 /nfs/dbraw/zinc/22/77/56/656227756.db2.gz HAZNPLMRUYGXRW-UHFFFAOYSA-N 1 0 376.353 2.756 20 0 GFADRO CCCN(C(=O)C(=O)Nc1ccc2nc(SC)sc2c1)[C@@H]1CC[NH2+]C1 ZINC000841167053 661240978 /nfs/dbraw/zinc/24/09/78/661240978.db2.gz CIFVJLCNFXWZAY-GFCCVEGCSA-N 1 0 378.523 2.557 20 0 GFADRO [NH3+]C1(CNC(=O)C(=O)Nc2ccc3cc(Br)ccc3c2)CCC1 ZINC000841209708 661244402 /nfs/dbraw/zinc/24/44/02/661244402.db2.gz NDMFDDREQNEZSS-UHFFFAOYSA-N 1 0 376.254 2.538 20 0 GFADRO Nc1c(Cl)cc(NC(=O)NC2CCC(N3CC[NH2+]CC3)CC2)cc1Cl ZINC000841205071 661244471 /nfs/dbraw/zinc/24/44/71/661244471.db2.gz KEJZYUNWEPEWRU-UHFFFAOYSA-N 1 0 386.327 2.914 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)Nc2cc3ccccc3nc2Br)CCCO1 ZINC000841215224 661245146 /nfs/dbraw/zinc/24/51/46/661245146.db2.gz LLBXNNSFCNADRI-LBPRGKRZSA-N 1 0 379.258 2.579 20 0 GFADRO CC[C@H]1CN(C(=O)C(=O)Nc2ccccc2SC(F)(F)F)CC[C@H]1[NH3+] ZINC000841226851 661245952 /nfs/dbraw/zinc/24/59/52/661245952.db2.gz BUFFLPMBISECPK-WDEREUQCSA-N 1 0 375.416 2.823 20 0 GFADRO CC[C@@H]1CN(C(=O)C(=O)Nc2ccc3nc(SC)sc3c2)CC[C@@H]1[NH3+] ZINC000841227709 661246053 /nfs/dbraw/zinc/24/60/53/661246053.db2.gz LTPJBYMCIBSHTR-PWSUYJOCSA-N 1 0 378.523 2.543 20 0 GFADRO C[C@H]1CCC[C@](CNC(=O)c2nccn3c(Br)cnc23)([NH+](C)C)C1 ZINC000769716906 656287533 /nfs/dbraw/zinc/28/75/33/656287533.db2.gz RAJYTIFXEKZFHP-SJCJKPOMSA-N 1 0 394.317 2.732 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)NC[C@H](C)[NH+]2CCCCC2)c(Br)c1 ZINC000770255862 656312324 /nfs/dbraw/zinc/31/23/24/656312324.db2.gz HMVPFMIRMUHFHR-AWEZNQCLSA-N 1 0 396.329 2.995 20 0 GFADRO O=C(c1cccnc1I)N1CCC(C[NH+]2CCCC2)CC1 ZINC000770489965 656321072 /nfs/dbraw/zinc/32/10/72/656321072.db2.gz FBGZOKSGTGPFDD-UHFFFAOYSA-N 1 0 399.276 2.634 20 0 GFADRO C[NH+]1CCN(c2ccc(NC(=O)c3cc[nH]c(=O)c3Br)cc2)CC1 ZINC000770823835 656331202 /nfs/dbraw/zinc/33/12/02/656331202.db2.gz PUIGWPNCUODBFE-UHFFFAOYSA-N 1 0 391.269 2.554 20 0 GFADRO O=C(NC[C@@H](O)c1cc(Cl)cc(Cl)c1)Nc1cnc2c(c1)C[NH2+]CC2 ZINC000841321242 661252075 /nfs/dbraw/zinc/25/20/75/661252075.db2.gz DOJLZUGWNQZZDK-MRXNPFEDSA-N 1 0 381.263 2.889 20 0 GFADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)Nc1cc2c(cc1Br)CCC2 ZINC000772547968 656382675 /nfs/dbraw/zinc/38/26/75/656382675.db2.gz MGBDHDZZMUOPIE-HUUCEWRRSA-N 1 0 394.313 2.923 20 0 GFADRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000772650954 656385303 /nfs/dbraw/zinc/38/53/03/656385303.db2.gz CTSHDKADPUSFOO-IAGOWNOFSA-N 1 0 389.323 2.986 20 0 GFADRO CC1CC[NH+](CCCNS(=O)(=O)c2ccc3nc(Cl)cnc3c2)CC1 ZINC000772918716 656393258 /nfs/dbraw/zinc/39/32/58/656393258.db2.gz IUVLNSWRFOUURE-UHFFFAOYSA-N 1 0 382.917 2.684 20 0 GFADRO Cc1nc(SC2CCCC2)sc1CC(=O)NCC1(O)CC[NH+](C)CC1 ZINC000841400865 661260456 /nfs/dbraw/zinc/26/04/56/661260456.db2.gz QHVAWLZVIULALV-UHFFFAOYSA-N 1 0 383.583 2.602 20 0 GFADRO C[C@H]([NH2+][C@@H](C)[C@H](O)c1c(F)cccc1Cl)c1cccc(S(N)(=O)=O)c1 ZINC000774460257 656529382 /nfs/dbraw/zinc/52/93/82/656529382.db2.gz NFOAVANFMLFYJK-DINDLPBHSA-N 1 0 386.876 2.899 20 0 GFADRO CC(C)C(=O)N1CCC([NH2+]C[C@@H](O)c2ccc(F)c(Br)c2)CC1 ZINC000774604617 656540354 /nfs/dbraw/zinc/54/03/54/656540354.db2.gz UZGRDUKBKACUNJ-MRXNPFEDSA-N 1 0 387.293 2.858 20 0 GFADRO Cc1cc(Br)cc(C[NH2+]CCCN2CCC[C@H]2C(=O)N(C)C)c1 ZINC000774983526 656580239 /nfs/dbraw/zinc/58/02/39/656580239.db2.gz OGIKDUGTSLHSMY-KRWDZBQOSA-N 1 0 382.346 2.790 20 0 GFADRO Cc1cc(Br)cc(C[NH2+]C[C@@H]2CCC[C@@]23NC(=O)N(C)C3=O)c1 ZINC000774998385 656583824 /nfs/dbraw/zinc/58/38/24/656583824.db2.gz COZUTECJLKQBOH-SUMWQHHRSA-N 1 0 380.286 2.568 20 0 GFADRO O=C1C[C@H]([NH2+][C@@H]2CC[C@H]3SCCS[C@H]23)CN1CCOc1ccccc1 ZINC000775410267 656637819 /nfs/dbraw/zinc/63/78/19/656637819.db2.gz IKTHWYHFDMFUMW-KNIMUDFMSA-N 1 0 378.563 2.636 20 0 GFADRO COc1ccccc1[C@@H](CO)[NH2+]C[C@@H](O)c1ccc(F)c(Br)c1 ZINC000775659335 656660085 /nfs/dbraw/zinc/66/00/85/656660085.db2.gz CZHZLRFEERRXLE-HZPDHXFCSA-N 1 0 384.245 2.953 20 0 GFADRO C[N@@H+]1CC[C@H](CN2C(=O)[C@@H]3CSCN3C2=O)[C@H]1c1ccc(Cl)c(F)c1 ZINC000777672945 656832248 /nfs/dbraw/zinc/83/22/48/656832248.db2.gz XYETXGMODHICFD-BYCMXARLSA-N 1 0 383.876 2.809 20 0 GFADRO C[C@@H]1C[N@@H+](CCCCNC(=O)c2scnc2Br)C[C@H](C)O1 ZINC000777868436 656840361 /nfs/dbraw/zinc/84/03/61/656840361.db2.gz WFTFAIIHMBKKKQ-PHIMTYICSA-N 1 0 376.320 2.525 20 0 GFADRO Cc1nn(-c2ccc(Cl)cc2)c(Cl)c1CN1CC[N@H+](CCO)[C@H](C)C1 ZINC000779215806 656907199 /nfs/dbraw/zinc/90/71/99/656907199.db2.gz ZNFAMJXVVSQGFQ-CYBMUJFWSA-N 1 0 383.323 2.986 20 0 GFADRO CC(C)[N@H+](CC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)CCS(C)(=O)=O ZINC000779477043 656929549 /nfs/dbraw/zinc/92/95/49/656929549.db2.gz UPQOCCCRCUDXFH-INIZCTEOSA-N 1 0 376.563 2.779 20 0 GFADRO CC(C)N1CCO[C@H](C(=[NH2+])NOCC(=O)Nc2ccc(Cl)c(Cl)c2)C1 ZINC000779649046 656935582 /nfs/dbraw/zinc/93/55/82/656935582.db2.gz GYDPCJWMRUZPGR-AWEZNQCLSA-N 1 0 389.283 2.540 20 0 GFADRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2cn(C(C)(C)C)nc2Br)C1 ZINC000779989048 656974325 /nfs/dbraw/zinc/97/43/25/656974325.db2.gz SQOJLURWHPBWAR-OCCSQVGLSA-N 1 0 383.334 2.957 20 0 GFADRO Cn1nc(C(F)(F)F)c(CN2CCO[C@H]3C[C@H]([NH+](C)C)CC[C@H]32)c1Cl ZINC000782484093 657149096 /nfs/dbraw/zinc/14/90/96/657149096.db2.gz CFAUBDDBFRTJMV-RTXFEEFZSA-N 1 0 380.842 2.776 20 0 GFADRO CC[NH+]1CCN(CCCNC(=S)Nc2ccc(Br)cc2)CC1 ZINC000783722644 657253872 /nfs/dbraw/zinc/25/38/72/657253872.db2.gz JYKGAYWBIKQQDN-UHFFFAOYSA-N 1 0 385.375 2.763 20 0 GFADRO O[C@@H](C[NH2+]C[C@H](O)COc1cc(F)cc(Br)c1)c1ccccc1 ZINC000783962115 657277938 /nfs/dbraw/zinc/27/79/38/657277938.db2.gz RQMMKDXVCHJLHI-RDJZCZTQSA-N 1 0 384.245 2.651 20 0 GFADRO Clc1ccc(-n2cc(CNC[C@H]3C[N@@H+]4CCC[C@@H]4CO3)nn2)cc1Cl ZINC000784534870 657315688 /nfs/dbraw/zinc/31/56/88/657315688.db2.gz QPRUXCFHYQFALP-CABCVRRESA-N 1 0 382.295 2.527 20 0 GFADRO COc1cc(OC)cc(OCCC[NH2+]Cc2cc(Br)nn2C)c1 ZINC000785483890 657367793 /nfs/dbraw/zinc/36/77/93/657367793.db2.gz FJQDGADGNZLRCM-UHFFFAOYSA-N 1 0 384.274 2.759 20 0 GFADRO CC[N@@H+]1CCCC[C@@H]1C(=O)NCc1ccc(C(=O)OC)cc1Br ZINC000785852994 657390217 /nfs/dbraw/zinc/39/02/17/657390217.db2.gz OLXDEOYCIIGLBG-OAHLLOKOSA-N 1 0 383.286 2.726 20 0 GFADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)Nc1cc(Br)c(F)cc1F ZINC000786167625 657412488 /nfs/dbraw/zinc/41/24/88/657412488.db2.gz IUVINWCLHVSXAW-NXEZZACHSA-N 1 0 390.228 2.712 20 0 GFADRO COC[C@@H]([NH2+]CCNS(=O)(=O)Cc1ccccc1)c1ccc(Cl)cc1 ZINC000786800258 657466987 /nfs/dbraw/zinc/46/69/87/657466987.db2.gz NFPPCKZXGWFCTE-GOSISDBHSA-N 1 0 382.913 2.737 20 0 GFADRO CCOC(=O)C(F)(F)[C@H]1CCC[C@@H]([NH2+]Cc2ccc(S(C)(=O)=O)s2)C1 ZINC000786960504 657496225 /nfs/dbraw/zinc/49/62/25/657496225.db2.gz JLRXZRREHXMDRI-NWDGAFQWSA-N 1 0 395.493 2.998 20 0 GFADRO CO[C@@H]1CC(=O)N(C[N@H+](Cc2cccc(Br)c2)C2CCOCC2)C1 ZINC000787235068 657531552 /nfs/dbraw/zinc/53/15/52/657531552.db2.gz LQFWJHREBXKJJF-QGZVFWFLSA-N 1 0 397.313 2.635 20 0 GFADRO Cc1c(Br)ccc(NC(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c1F ZINC000788745973 657781952 /nfs/dbraw/zinc/78/19/52/657781952.db2.gz NZTUXWHVMJGJLN-NEPJUHHUSA-N 1 0 386.265 2.881 20 0 GFADRO COC(=O)c1cc(S(=O)(=O)N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)ccc1Cl ZINC000788914237 657796635 /nfs/dbraw/zinc/79/66/35/657796635.db2.gz VBMICIUBOMBKGZ-QWHCGFSZSA-N 1 0 388.917 2.525 20 0 GFADRO O=C(NCCC[NH+]1CCCC1)C1CCN(C(=S)Nc2ccsc2)CC1 ZINC000790307672 657950264 /nfs/dbraw/zinc/95/02/64/657950264.db2.gz UMINBCMCGZNFRT-UHFFFAOYSA-N 1 0 380.583 2.759 20 0 GFADRO COc1cc(Cl)c(S(=O)(=O)NC[C@H](C)[NH+]2CCCCC2)cc1OC ZINC000790351160 657957325 /nfs/dbraw/zinc/95/73/25/657957325.db2.gz RAVAAUJQEPIHQK-LBPRGKRZSA-N 1 0 376.906 2.510 20 0 GFADRO Cc1nn(C)c(C[NH2+]CCCN(C)C(=O)OC(C)(C)C)c1Br ZINC000790469838 657988689 /nfs/dbraw/zinc/98/86/89/657988689.db2.gz AZTPZBIHQCTCSC-UHFFFAOYSA-N 1 0 375.311 2.838 20 0 GFADRO Cc1c(Br)cccc1CC(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000790647416 658008039 /nfs/dbraw/zinc/00/80/39/658008039.db2.gz JOSGMDJYPKOCJV-QGZVFWFLSA-N 1 0 394.357 2.538 20 0 GFADRO C[N@H+](CCNC(=O)c1nc(Br)ccc1F)Cc1ccc(F)cc1 ZINC000791622855 658144644 /nfs/dbraw/zinc/14/46/44/658144644.db2.gz FHIHEIRYCBTWDX-UHFFFAOYSA-N 1 0 384.224 2.984 20 0 GFADRO C[NH+](C)C1(CNC(=O)C(=O)Nc2cccc(Br)n2)CCCCCC1 ZINC000792949092 658332758 /nfs/dbraw/zinc/33/27/58/658332758.db2.gz WKJDDWOGOVUTFC-UHFFFAOYSA-N 1 0 397.317 2.553 20 0 GFADRO C[C@@H](CCc1ccc(I)cc1)[NH2+]CC1(C)OCCO1 ZINC000793030680 658349149 /nfs/dbraw/zinc/34/91/49/658349149.db2.gz YGBXPWVIALNHBR-LBPRGKRZSA-N 1 0 375.250 2.965 20 0 GFADRO O[C@@H]1CCCC[C@@H]1[NH+]1CCC(NC(=S)NCCCCC(F)(F)F)CC1 ZINC000794985449 658645683 /nfs/dbraw/zinc/64/56/83/658645683.db2.gz SSWIPYLRYGYIDI-LSDHHAIUSA-N 1 0 381.508 2.951 20 0 GFADRO CCO[C@H](CC[NH+](C)C)CNS(=O)(=O)c1cc(C(=O)CC)ccc1Cl ZINC000795136192 658686474 /nfs/dbraw/zinc/68/64/74/658686474.db2.gz HEDATEDSSYUJOP-CQSZACIVSA-N 1 0 390.933 2.568 20 0 GFADRO CN(C[C@H]1CCC[N@H+](Cc2cc(Cl)nc3ccccc23)C1)S(C)(=O)=O ZINC000796121447 658894333 /nfs/dbraw/zinc/89/43/33/658894333.db2.gz LUYRQJBWABNFFD-CQSZACIVSA-N 1 0 381.929 2.992 20 0 GFADRO Cc1nn(-c2ccccn2)c(Cl)c1C[NH2+]CCNC(=O)c1cccs1 ZINC000796265248 658909505 /nfs/dbraw/zinc/90/95/05/658909505.db2.gz FZKIAEPBHGTGFW-UHFFFAOYSA-N 1 0 375.885 2.810 20 0 GFADRO CNC(=O)C[C@@H]([NH2+]C[C@@H](O)c1ccccc1Br)c1ccccc1 ZINC000796609515 658927480 /nfs/dbraw/zinc/92/74/80/658927480.db2.gz ALLXBJIQFYDQMV-IAGOWNOFSA-N 1 0 377.282 2.950 20 0 GFADRO CS(=O)(=O)N1CC(C[NH2+][C@H](c2cccc(OC(F)(F)F)c2)C2CC2)C1 ZINC000796954172 658955157 /nfs/dbraw/zinc/95/51/57/658955157.db2.gz PAQJXSCPRQQFJQ-HNNXBMFYSA-N 1 0 378.416 2.517 20 0 GFADRO CNC(=O)[C@]1(C)CC[N@H+](Cn2ccc(-c3ccc(Br)cc3)n2)C1 ZINC000797415504 659019325 /nfs/dbraw/zinc/01/93/25/659019325.db2.gz HIYDUHRIBPQINZ-QGZVFWFLSA-N 1 0 377.286 2.728 20 0 GFADRO C[C@@H]1CCC[N@@H+]1CCNS(=O)(=O)c1cc(Cl)ccc1Br ZINC000797455507 659024793 /nfs/dbraw/zinc/02/47/93/659024793.db2.gz WIJZTHQFLCJYER-SNVBAGLBSA-N 1 0 381.723 2.865 20 0 GFADRO COc1c[nH+]ccc1N1CCN(C(=O)Nc2cccnc2Br)CC1 ZINC000797636150 659039687 /nfs/dbraw/zinc/03/96/87/659039687.db2.gz UEJXSFOMLIVOSQ-UHFFFAOYSA-N 1 0 392.257 2.602 20 0 GFADRO CON(C)C(=O)CC[NH+]1CCN([C@@H](C)c2ccc(Br)cc2)CC1 ZINC000799124027 659166536 /nfs/dbraw/zinc/16/65/36/659166536.db2.gz JVIWFKXVEOGJKX-AWEZNQCLSA-N 1 0 384.318 2.538 20 0 GFADRO CON(C)C(=O)CC[NH+]1CCC(C(=O)Nc2cccc(Br)c2)CC1 ZINC000799132202 659167500 /nfs/dbraw/zinc/16/75/00/659167500.db2.gz PURSTHSXRCKDFJ-UHFFFAOYSA-N 1 0 398.301 2.510 20 0 GFADRO C[N@@H+]1CCN(CCNC(=O)N2Cc3ccc(Br)cc3C2)CC1(C)C ZINC000799396729 659187830 /nfs/dbraw/zinc/18/78/30/659187830.db2.gz MTCSNRCYWOCDBC-UHFFFAOYSA-N 1 0 395.345 2.500 20 0 GFADRO CC[NH+](CC)CCCOC(=O)c1cn(-c2ccccc2Br)nn1 ZINC000800133308 659274850 /nfs/dbraw/zinc/27/48/50/659274850.db2.gz XOHUXSCTVHUNJS-UHFFFAOYSA-N 1 0 381.274 2.919 20 0 GFADRO COCCN(C)c1ccc(C[NH2+]C[C@H](O)c2cccc(Br)c2)cn1 ZINC000800289822 659298929 /nfs/dbraw/zinc/29/89/29/659298929.db2.gz OPFTXBKYWZWGEF-KRWDZBQOSA-N 1 0 394.313 2.750 20 0 GFADRO Cc1nn(C)c(Br)c1C(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C ZINC000801088054 659366659 /nfs/dbraw/zinc/36/66/59/659366659.db2.gz CKXYFIOEMWXYKN-CYBMUJFWSA-N 1 0 383.265 2.663 20 0 GFADRO O=C1c2cc(Br)ccc2CN1CN1CCN(c2cc[nH+]cc2)CC1 ZINC000802723454 659496413 /nfs/dbraw/zinc/49/64/13/659496413.db2.gz BILQHFZYFQRKNV-UHFFFAOYSA-N 1 0 387.281 2.580 20 0 GFADRO C[NH+](C)CCN(Cc1cccc(F)c1)S(=O)(=O)c1cnc(Cl)c(F)c1 ZINC000804973044 659706543 /nfs/dbraw/zinc/70/65/43/659706543.db2.gz OZWQAFSEPVZULP-UHFFFAOYSA-N 1 0 389.855 2.766 20 0 GFADRO C[C@H]([NH2+]C[C@H](O)Cc1cccc(Cl)c1)c1ccc(NS(C)(=O)=O)cc1 ZINC000805746571 659806721 /nfs/dbraw/zinc/80/67/21/659806721.db2.gz BAKXEWCZIQKKRS-SCLBCKFNSA-N 1 0 382.913 2.966 20 0 GFADRO C[C@@H]([NH2+]C[C@H](O)Cc1cccc(Cl)c1)c1ccc(NS(C)(=O)=O)cc1 ZINC000805746570 659806813 /nfs/dbraw/zinc/80/68/13/659806813.db2.gz BAKXEWCZIQKKRS-FZKQIMNGSA-N 1 0 382.913 2.966 20 0 GFADRO CC(=O)NCC[C@@H]1CCC[N@H+](C[C@@H](O)c2ccc(F)c(Br)c2)C1 ZINC000805822206 659807783 /nfs/dbraw/zinc/80/77/83/659807783.db2.gz KCIHDIWYSIKCOI-SUMWQHHRSA-N 1 0 387.293 2.860 20 0 GFADRO COC1CC[NH+](CCNC(=O)c2nc(Br)sc2C2CC2)CC1 ZINC000807020683 659846420 /nfs/dbraw/zinc/84/64/20/659846420.db2.gz PTTGRYBVJXMKKU-UHFFFAOYSA-N 1 0 388.331 2.624 20 0 GFADRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1Cn1nc(Br)c(=O)c2ccccc21 ZINC000808190002 659880820 /nfs/dbraw/zinc/88/08/20/659880820.db2.gz CHGVJVQTUXFBSE-HIFRSBDPSA-N 1 0 391.313 2.675 20 0 GFADRO COc1ccc(Cl)cc1C[NH2+][C@H]1CCN(S(=O)(=O)c2ccccc2)C1 ZINC000808433995 659894119 /nfs/dbraw/zinc/89/41/19/659894119.db2.gz UPCHTICDNKVCOW-INIZCTEOSA-N 1 0 380.897 2.901 20 0 GFADRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]C[C@H](O)c3ccccc3Br)[C@@H]2C1 ZINC000808783626 659906377 /nfs/dbraw/zinc/90/63/77/659906377.db2.gz SSMPXMZVDAXWHE-DHXZDTOLSA-N 1 0 381.314 2.719 20 0 GFADRO CN(C)CC[N@H+](C)CCCN(C)C(=O)c1ccc(OC(F)(F)Cl)cc1 ZINC000809193825 659919131 /nfs/dbraw/zinc/91/91/31/659919131.db2.gz CURBJDDAAAKLLA-UHFFFAOYSA-N 1 0 377.863 2.810 20 0 GFADRO [NH2+]=C(COc1ccc(Cl)cc1Cl)NOCc1nnn(CC(F)(F)F)n1 ZINC000809994852 659955487 /nfs/dbraw/zinc/95/54/87/659955487.db2.gz HHQDUNJUTHYWHX-UHFFFAOYSA-N 1 0 399.160 2.620 20 0 GFADRO CCC[N@H+](CC)C[C@@H](C)NS(=O)(=O)c1ccc(Cl)c(C(=O)OC)c1 ZINC000810117447 659962832 /nfs/dbraw/zinc/96/28/32/659962832.db2.gz PJWYDDBCYSSGHV-GFCCVEGCSA-N 1 0 376.906 2.525 20 0 GFADRO C[C@H]([NH2+]Cc1cccnc1N1CCOCC1)c1ccc(Br)nc1 ZINC000810208940 659966337 /nfs/dbraw/zinc/96/63/37/659966337.db2.gz HSOYYVLJFSZPIA-ZDUSSCGKSA-N 1 0 377.286 2.927 20 0 GFADRO C[C@@H]([NH2+][C@H]1CCN(c2ccccc2C(N)=O)C1)c1ccc(Br)nc1 ZINC000810218744 659967142 /nfs/dbraw/zinc/96/71/42/659967142.db2.gz WTTNFZMBRPXIBJ-OCCSQVGLSA-N 1 0 389.297 2.873 20 0 GFADRO C[C@H]([NH2+][C@H]1CCN(c2ccccc2C(N)=O)C1)c1ccc(Br)nc1 ZINC000810218743 659967161 /nfs/dbraw/zinc/96/71/61/659967161.db2.gz WTTNFZMBRPXIBJ-JSGCOSHPSA-N 1 0 389.297 2.873 20 0 GFADRO NS(=O)(=O)c1ccc2c(c1)[C@H]([NH2+]C[C@@H](O)c1ccccc1Cl)CCC2 ZINC000810226208 659967175 /nfs/dbraw/zinc/96/71/75/659967175.db2.gz CEJFLWZAYGHZEO-QZTJIDSGSA-N 1 0 380.897 2.688 20 0 GFADRO Cn1c(SCC(=O)O[C@H]2CC[N@@H+]3CCC[C@H]3C2)nnc1-c1cccs1 ZINC000810849143 659988283 /nfs/dbraw/zinc/98/82/83/659988283.db2.gz YRPJVMGFJKXRJU-STQMWFEESA-N 1 0 378.523 2.806 20 0 GFADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)c1cc(C(F)(F)F)cc(Cl)n1 ZINC000811136392 659999863 /nfs/dbraw/zinc/99/98/63/659999863.db2.gz FVVUNJCCWDIOPW-NSHDSACASA-N 1 0 378.826 2.510 20 0 GFADRO CC(C)C[C@@H](C[NH2+]CCC1CCS(=O)(=O)CC1)NC(=O)OC(C)(C)C ZINC000811485559 660009968 /nfs/dbraw/zinc/00/99/68/660009968.db2.gz QMSNEWFNEBAFDK-INIZCTEOSA-N 1 0 376.563 2.730 20 0 GFADRO CC(C)C[C@H](C[NH2+]CC1(S(C)(=O)=O)CCCC1)NC(=O)OC(C)(C)C ZINC000811506145 660010861 /nfs/dbraw/zinc/01/08/61/660010861.db2.gz NNCRDRFOMJQKTM-OAHLLOKOSA-N 1 0 376.563 2.873 20 0 GFADRO CC[N@H+](Cn1ncc2c1ccc(Br)c2C(=O)OC)[C@@H]1CCOC1 ZINC000812296883 660022607 /nfs/dbraw/zinc/02/26/07/660022607.db2.gz RZBCWQMPJFNNRZ-LLVKDONJSA-N 1 0 382.258 2.654 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc(-c4ccc(Br)cc4)n[nH]3)C[C@@H]2C1 ZINC000812330751 660024414 /nfs/dbraw/zinc/02/44/14/660024414.db2.gz DPVJYFXDOFUUSL-KGLIPLIRSA-N 1 0 389.297 2.863 20 0 GFADRO CC[NH+](CC)CC(C)(C)COC(=O)c1sccc1S(=O)(=O)N(C)C ZINC000813152469 660045666 /nfs/dbraw/zinc/04/56/66/660045666.db2.gz DVOFQAUZWQBGJJ-UHFFFAOYSA-N 1 0 376.544 2.523 20 0 GFADRO O=S(=O)(c1ccc(Cl)c2nonc21)N1CCC([NH+]2CCCCC2)CC1 ZINC000814379807 660078385 /nfs/dbraw/zinc/07/83/85/660078385.db2.gz XFEYKRWJEWAQIU-UHFFFAOYSA-N 1 0 384.889 2.515 20 0 GFADRO C[C@](O)(C[N@@H+]1CC[C@@H](CC(N)=O)C1)c1ccc(Br)cc1Cl ZINC000815120834 660113807 /nfs/dbraw/zinc/11/38/07/660113807.db2.gz WGXUUDZIONXFPS-BONVTDFDSA-N 1 0 375.694 2.507 20 0 GFADRO Cn1ncc(C[NH2+]C[C@H](CO)Cc2ccc(OC(F)(F)F)cc2)c1Cl ZINC000815129702 660113858 /nfs/dbraw/zinc/11/38/58/660113858.db2.gz WOXQDUCXBYUXBT-GFCCVEGCSA-N 1 0 377.794 2.913 20 0 GFADRO O=C(c1cn2c(Br)cnc2s1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000815151462 660114749 /nfs/dbraw/zinc/11/47/49/660114749.db2.gz FOTMXGTWJVHBJM-NSHDSACASA-N 1 0 383.315 2.859 20 0 GFADRO CN(C)C(=O)OC1CC[NH+](C[C@@H](O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000815190554 660116144 /nfs/dbraw/zinc/11/61/44/660116144.db2.gz UTLXNTHPSKMBKH-GFCCVEGCSA-N 1 0 391.295 2.896 20 0 GFADRO C[C@@H](CNC(=O)C(=O)Nc1cccc(Cl)c1SC(F)F)C[NH+](C)C ZINC000815684381 660128349 /nfs/dbraw/zinc/12/83/49/660128349.db2.gz MIIVBEOQQALGQP-VIFPVBQESA-N 1 0 379.860 2.907 20 0 GFADRO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)C(=O)Nc2cccc(Cl)c2SC(F)F)C1 ZINC000815705213 660129085 /nfs/dbraw/zinc/12/90/85/660129085.db2.gz CHYNZFUCQIIWSZ-CABZTGNLSA-N 1 0 389.855 2.756 20 0 GFADRO OC[C@@]1([C@H]([NH2+]Cc2ccccc2I)C2CC2)CCCO1 ZINC000816666567 660164634 /nfs/dbraw/zinc/16/46/34/660164634.db2.gz QCRAWRPRLAFFRO-HZPDHXFCSA-N 1 0 387.261 2.701 20 0 GFADRO O=C(NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1nc(Cl)sc1Cl ZINC000816967067 660175073 /nfs/dbraw/zinc/17/50/73/660175073.db2.gz VLWKDUWNHIOTDK-GFCCVEGCSA-N 1 0 386.304 2.947 20 0 GFADRO COc1ccc(Br)cc1CNC(=O)NCc1ccc(CC[NH3+])cc1 ZINC000841762467 661312002 /nfs/dbraw/zinc/31/20/02/661312002.db2.gz OVOIBFYYJIHSJG-UHFFFAOYSA-N 1 0 392.297 2.958 20 0 GFADRO CC(C)(O)C[NH+]1CCN(C(=O)Nc2cnc(Cl)c(C(F)(F)F)c2)CC1 ZINC000841800000 661314593 /nfs/dbraw/zinc/31/45/93/661314593.db2.gz DRUBWEPOEOTLCD-UHFFFAOYSA-N 1 0 380.798 2.674 20 0 GFADRO C[C@H](NC(=O)N(C)C[C@H](O)c1ccccc1Br)[C@@H]1CCC[NH2+]C1 ZINC000841928436 661317970 /nfs/dbraw/zinc/31/79/70/661317970.db2.gz RDXZEAMUTGQBAX-ZENOOKHLSA-N 1 0 384.318 2.512 20 0 GFADRO CCC[NH2+]CCNC(=O)N1CCC[C@H]([C@@H](O)c2ccc(Br)cc2)C1 ZINC000841960843 661318544 /nfs/dbraw/zinc/31/85/44/661318544.db2.gz HFRMSNXDKJLPPO-RDJZCZTQSA-N 1 0 398.345 2.904 20 0 GFADRO CN(C[C@H](O)c1ccccc1Br)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000842015696 661320061 /nfs/dbraw/zinc/32/00/61/661320061.db2.gz PAPOTFBZEUJJNW-CFAJVAMVSA-N 1 0 396.329 2.512 20 0 GFADRO C[C@@H](CN1C(=O)[C@@H]2Cc3c(Br)cccc3CN2C1=O)[N@H+](C)C1CC1 ZINC000842240799 661329419 /nfs/dbraw/zinc/32/94/19/661329419.db2.gz VMIPGWTYBLIYGN-ZBEGNZNMSA-N 1 0 392.297 2.621 20 0 GFADRO O=S(=O)(c1c(F)c(F)c(F)c(F)c1F)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000842482374 661341339 /nfs/dbraw/zinc/34/13/39/661341339.db2.gz RVSNCNDDWQCQLZ-BDAKNGLRSA-N 1 0 384.370 2.535 20 0 GFADRO [NH3+][C@@H]1CCCO[C@H]1C1CCN(S(=O)(=O)/C=C/c2cccc(Cl)c2)CC1 ZINC000842485567 661341735 /nfs/dbraw/zinc/34/17/35/661341735.db2.gz KSEVLCQZOBHQLV-XTUKKMCOSA-N 1 0 384.929 2.859 20 0 GFADRO C[NH2+]C[C@H](C)c1noc(-c2cc(S(=O)(=O)NC(C)(C)C)ccc2Cl)n1 ZINC000842579614 661344135 /nfs/dbraw/zinc/34/41/35/661344135.db2.gz KFPAKNIVCDXPLP-JTQLQIEISA-N 1 0 386.905 2.790 20 0 GFADRO Cc1ccc(Br)c(S(=O)(=O)NCc2ccc(CC[NH3+])cc2)c1 ZINC000842702865 661350118 /nfs/dbraw/zinc/35/01/18/661350118.db2.gz QWDGOQJMXXHJTJ-UHFFFAOYSA-N 1 0 383.311 2.737 20 0 GFADRO COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N(C)C1CCC([NH3+])CC1 ZINC000842737315 661351722 /nfs/dbraw/zinc/35/17/22/661351722.db2.gz HVJOARHGQOZZSA-LRVUVFPRSA-N 1 0 390.933 2.644 20 0 GFADRO COCCCOc1ccc(Cl)cc1S(=O)(=O)N(C)C1CCC([NH3+])CC1 ZINC000842737339 661351737 /nfs/dbraw/zinc/35/17/37/661351737.db2.gz IBHLYPJYDCPSRO-UHFFFAOYSA-N 1 0 390.933 2.646 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H]2CN(S(=O)(=O)/C=C/c3cccc(Br)c3)C[C@@H]21 ZINC000842792161 661354283 /nfs/dbraw/zinc/35/42/83/661354283.db2.gz AQSZEPPITSINAW-DOWQCCFLSA-N 1 0 385.327 2.809 20 0 GFADRO O=S(=O)(c1ccc(Cl)nc1Cl)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000842871456 661358136 /nfs/dbraw/zinc/35/81/36/661358136.db2.gz BJSCAFYQJWCJFV-RYUDHWBXSA-N 1 0 378.325 2.789 20 0 GFADRO O=S(=O)(c1c(Cl)ccnc1Cl)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000842875200 661358248 /nfs/dbraw/zinc/35/82/48/661358248.db2.gz MKMDAPBGLXLMQB-NWDGAFQWSA-N 1 0 378.325 2.789 20 0 GFADRO O[C@H](C[NH2+]C[C@@H](O)c1ccccc1Br)COCc1ccccc1 ZINC000843061851 661365610 /nfs/dbraw/zinc/36/56/10/661365610.db2.gz JILNXXGGKNQTBH-CRAIPNDOSA-N 1 0 380.282 2.650 20 0 GFADRO O[C@@H](C[NH2+]C[C@@H](O)c1cccc(F)c1)COc1ccc(Br)cc1 ZINC000843069123 661366207 /nfs/dbraw/zinc/36/62/07/661366207.db2.gz JUXHIIVYQSDTBT-DOTOQJQBSA-N 1 0 384.245 2.651 20 0 GFADRO O[C@H](C[NH2+]C[C@@H](O)c1ccsc1)COc1cc(F)cc(Br)c1 ZINC000843081600 661366740 /nfs/dbraw/zinc/36/67/40/661366740.db2.gz DIXSQLBIBTWPNI-UKRRQHHQSA-N 1 0 390.274 2.713 20 0 GFADRO C[C@](O)(C[NH2+]C[C@@H](CO)c1cccnc1)c1ccc(Br)cc1F ZINC000843081298 661366773 /nfs/dbraw/zinc/36/67/73/661366773.db2.gz ATYTVGDLVIXVBR-GUYCJALGSA-N 1 0 383.261 2.556 20 0 GFADRO O[C@@H](C[NH2+]C[C@H](O)COc1ccccc1Br)c1ccc(F)cc1 ZINC000843098421 661367921 /nfs/dbraw/zinc/36/79/21/661367921.db2.gz WSWJVMGCBHHDCC-HOCLYGCPSA-N 1 0 384.245 2.651 20 0 GFADRO C[C@H](C[C@@H](O)c1ccco1)[NH2+]C[C@H](O)COc1cccc(Br)c1 ZINC000843101740 661368083 /nfs/dbraw/zinc/36/80/83/661368083.db2.gz QOWPXXFCESJNDL-IVMMDQJWSA-N 1 0 384.270 2.884 20 0 GFADRO C[C@H]([NH2+]C[C@@H](O)COC1CCOCC1)[C@@H](O)c1c(Cl)cccc1Cl ZINC000843103581 661368090 /nfs/dbraw/zinc/36/80/90/661368090.db2.gz MOGWJZJWOLUUBJ-XWCIJXRUSA-N 1 0 378.296 2.561 20 0 GFADRO O[C@H](C[NH2+]C[C@@H]1CCC2(CCOCC2)[C@H]1O)c1ccccc1Br ZINC000843111975 661368823 /nfs/dbraw/zinc/36/88/23/661368823.db2.gz BNOKJZGYMOAPCT-XKQJLSEDSA-N 1 0 384.314 2.640 20 0 GFADRO CC(C)[C@@H]([NH3+])c1noc([C@H](C)N2C(=O)c3ccc(Br)cc3C2=O)n1 ZINC000843151810 661371100 /nfs/dbraw/zinc/37/11/00/661371100.db2.gz PYOZLRIWONBKOH-QPUJVOFHSA-N 1 0 393.241 2.845 20 0 GFADRO [NH3+]CC1(c2nc(Cc3cc(Br)c4c(c3)OCCO4)no2)CCCC1 ZINC000843202759 661372252 /nfs/dbraw/zinc/37/22/52/661372252.db2.gz JVOZXNVVIPTQOO-UHFFFAOYSA-N 1 0 394.269 2.965 20 0 GFADRO FC(F)(F)COc1ccc(Cl)cc1-c1noc(C[C@@H]2C[NH2+]CCO2)n1 ZINC000843205150 661372634 /nfs/dbraw/zinc/37/26/34/661372634.db2.gz ANPZHUCNSFJBAV-SNVBAGLBSA-N 1 0 377.750 2.862 20 0 GFADRO C[C@H]([NH3+])Cc1nc(CC(=O)Nc2nc(-c3ccccc3Cl)cs2)no1 ZINC000843217085 661373443 /nfs/dbraw/zinc/37/34/43/661373443.db2.gz SRTJLBCXRANWHW-VIFPVBQESA-N 1 0 377.857 2.917 20 0 GFADRO C[C@@H](NC(=O)Cc1noc([C@@]2(F)CC[NH2+]C2)n1)c1ccc(Cl)cc1Cl ZINC000843226248 661373858 /nfs/dbraw/zinc/37/38/58/661373858.db2.gz VTHMFAAXBQQFQK-JDNHERCYSA-N 1 0 387.242 2.954 20 0 GFADRO [NH3+]CCCCCCNC(=O)C(=O)N1CCSC[C@@H]1c1ccc(Cl)cc1 ZINC000843262165 661374996 /nfs/dbraw/zinc/37/49/96/661374996.db2.gz ONMBAYGBDGGWLT-MRXNPFEDSA-N 1 0 383.945 2.592 20 0 GFADRO [NH3+]CCc1nc(C(=O)Nc2ccc(Cl)cc2C(=O)NCC2CC2)cs1 ZINC000843375277 661378841 /nfs/dbraw/zinc/37/88/41/661378841.db2.gz DCKSJWCNYPCDSH-UHFFFAOYSA-N 1 0 378.885 2.690 20 0 GFADRO C[NH2+]CCC1CCN(C(=O)/C=C\c2ccc(I)o2)CC1 ZINC000843452768 661381878 /nfs/dbraw/zinc/38/18/78/661381878.db2.gz OCISYDPCKMLZBC-HYXAFXHYSA-N 1 0 388.249 2.746 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]1C1CCN(C(=O)CSc2nc3ccccc3s2)CC1 ZINC000843483781 661383117 /nfs/dbraw/zinc/38/31/17/661383117.db2.gz DMOWMTGEEAQTAV-DYVFJYSZSA-N 1 0 377.535 2.743 20 0 GFADRO O=C(CO[C@@H]1CCC[NH2+]C1)N1CCC(c2ccccc2Br)CC1 ZINC000843493853 661383397 /nfs/dbraw/zinc/38/33/97/661383397.db2.gz YBIVRWJEJBNWNQ-OAHLLOKOSA-N 1 0 381.314 2.924 20 0 GFADRO Cc1c(C(=O)NCCCCCC[NH3+])nnn1-c1cccc(Br)c1 ZINC000843509406 661383696 /nfs/dbraw/zinc/38/36/96/661383696.db2.gz AJEWYKZFUHNYFK-UHFFFAOYSA-N 1 0 380.290 2.587 20 0 GFADRO Cc1c(Br)cccc1CC(=O)N1CCOC2(CC[NH+](C)CC2)C1 ZINC000844094159 661404347 /nfs/dbraw/zinc/40/43/47/661404347.db2.gz MDOMNNKPYAENOK-UHFFFAOYSA-N 1 0 381.314 2.623 20 0 GFADRO [NH3+]Cc1cccc(C(=O)N2CCN(Cc3ccc(Br)cc3)CC2)c1 ZINC000844204988 661409496 /nfs/dbraw/zinc/40/94/96/661409496.db2.gz SNQOONVEZZBNRR-UHFFFAOYSA-N 1 0 388.309 2.866 20 0 GFADRO CC(C)[C@@H]([NH2+]Cc1cc(Cl)cc(S(N)(=O)=O)c1)[C@@H](O)c1ccccc1 ZINC000844326643 661414808 /nfs/dbraw/zinc/41/48/08/661414808.db2.gz JBGPJPFGYIDUAL-MSOLQXFVSA-N 1 0 382.913 2.835 20 0 GFADRO O=c1cc(C[N@H+]2CCC[C@](O)(c3ccc(Cl)cc3)C2)nc2sccn21 ZINC000844377914 661417466 /nfs/dbraw/zinc/41/74/66/661417466.db2.gz YOIOETUHSWVEED-GOSISDBHSA-N 1 0 375.881 2.893 20 0 GFADRO CCOc1cc(-c2noc([C@H](N)CC[NH+](C)C)n2)cc(Br)c1O ZINC000844680324 661433679 /nfs/dbraw/zinc/43/36/79/661433679.db2.gz YSJVBTZECHFEMO-LLVKDONJSA-N 1 0 385.262 2.555 20 0 GFADRO Cc1nn(CN2CCO[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]32)c(=S)s1 ZINC000844730718 661437487 /nfs/dbraw/zinc/43/74/87/661437487.db2.gz QRKOZVCLVVTDFV-SJORKVTESA-N 1 0 376.551 2.915 20 0 GFADRO Cn1nc(C(F)(F)F)c(CN2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)c1Cl ZINC000844903155 661448912 /nfs/dbraw/zinc/44/89/12/661448912.db2.gz TYEWLDGIBKRNEJ-LOWVWBTDSA-N 1 0 380.842 2.811 20 0 GFADRO CN1CCC([NH+]2CCC(NC(=O)NCCC[C@@H]3CC3(Cl)Cl)CC2)CC1 ZINC000844937866 661450054 /nfs/dbraw/zinc/45/00/54/661450054.db2.gz YTBBPUKUGUYXQW-CQSZACIVSA-N 1 0 391.387 2.818 20 0 GFADRO CN(C(=O)NCCC[C@H]1CC1(Cl)Cl)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000845675753 661489435 /nfs/dbraw/zinc/48/94/35/661489435.db2.gz KFWIYISSFIBVDY-HOCLYGCPSA-N 1 0 391.387 2.770 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@@H]1COC(=O)CCNC(=O)c1ccc(Br)cc1 ZINC000845740458 661494902 /nfs/dbraw/zinc/49/49/02/661494902.db2.gz ZZQSSPXOLZZJQW-OAHLLOKOSA-N 1 0 397.313 2.985 20 0 GFADRO CN1CC[NH+](CC2(C)CCN(C(=O)c3snc(Cl)c3Cl)CC2)CC1 ZINC000845942388 661507752 /nfs/dbraw/zinc/50/77/52/661507752.db2.gz YKKKMEAZIFATFO-UHFFFAOYSA-N 1 0 391.368 2.940 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(C(=O)NCCC[C@H]3CC3(Cl)Cl)C2)C1 ZINC000846210334 661538463 /nfs/dbraw/zinc/53/84/63/661538463.db2.gz YRLJBVMCBFTFAN-XQLPTFJDSA-N 1 0 378.344 2.888 20 0 GFADRO O=C([C@@H]1CC[C@H](C2CC2)[NH2+]1)N1CCO[C@@H](c2ccccc2Br)C1 ZINC000846669924 661561358 /nfs/dbraw/zinc/56/13/58/661561358.db2.gz JZONYFDBOCINFF-IXDOHACOSA-N 1 0 379.298 2.880 20 0 GFADRO O=C(NC[C@@H](O)c1cccc(Br)c1)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000847446917 661592752 /nfs/dbraw/zinc/59/27/52/661592752.db2.gz KWACPYSKUWQPNW-YESZJQIVSA-N 1 0 396.329 2.799 20 0 GFADRO Cc1nc(Cl)c(Cl)cc1C(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000847478778 661594042 /nfs/dbraw/zinc/59/40/42/661594042.db2.gz ZYHGLGRABKOKAB-UHFFFAOYSA-N 1 0 385.339 2.796 20 0 GFADRO Cc1nc(Cl)c(Cl)cc1C(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000847484722 661594401 /nfs/dbraw/zinc/59/44/01/661594401.db2.gz FIBAHTMXDZYHPA-AWEZNQCLSA-N 1 0 385.339 2.937 20 0 GFADRO CCN1CCC([NH+]2CCC(C(=O)Nc3ccc(Br)nc3)CC2)CC1 ZINC000847587076 661599798 /nfs/dbraw/zinc/59/97/98/661599798.db2.gz BXNZMAMPPMJVKG-UHFFFAOYSA-N 1 0 395.345 2.979 20 0 GFADRO CS[C@H]1CN(C(=O)c2cnc(Cl)c(Br)c2)C[C@@H]1[NH+](C)C ZINC000847618505 661602106 /nfs/dbraw/zinc/60/21/06/661602106.db2.gz KKGPRKNWRAIRCW-QWRGUYRKSA-N 1 0 378.723 2.615 20 0 GFADRO CC[NH+](CC)CC[C@@H](CO)NC(=O)Cc1cc(C(F)(F)F)cc(Cl)n1 ZINC000848024897 661621183 /nfs/dbraw/zinc/62/11/83/661621183.db2.gz KVVCWTOWVJLIBX-LBPRGKRZSA-N 1 0 381.826 2.505 20 0 GFADRO O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1c(Br)nc2n1CCCC2 ZINC000848352102 661643119 /nfs/dbraw/zinc/64/31/19/661643119.db2.gz LIIOEPYYRKVDLO-OLZOCXBDSA-N 1 0 381.318 2.729 20 0 GFADRO Cc1nn(-c2cccc(Br)c2)cc1C[NH2+]CCCc1cnn(C)n1 ZINC000848554372 661664193 /nfs/dbraw/zinc/66/41/93/661664193.db2.gz ZGJNQMYCWSJGJH-UHFFFAOYSA-N 1 0 389.301 2.794 20 0 GFADRO O=C1CN(CCC[NH2+]Cc2sc(Sc3ccccc3)nc2Cl)CCN1 ZINC000848558707 661664942 /nfs/dbraw/zinc/66/49/42/661664942.db2.gz TXHGBMKIJPOIQU-UHFFFAOYSA-N 1 0 396.969 2.859 20 0 GFADRO O=C1O[C@H](C[NH2+]Cc2cc(Br)c3c(c2)OCCCO3)CN1C1CC1 ZINC000848578222 661666447 /nfs/dbraw/zinc/66/64/47/661666447.db2.gz OOBUIKCIAKBCCX-CYBMUJFWSA-N 1 0 397.269 2.683 20 0 GFADRO Brc1c(CN2CCC[C@H]([NH+]3CCOCC3)CC2)nc2ccccn12 ZINC000848930241 661689477 /nfs/dbraw/zinc/68/94/77/661689477.db2.gz PEIJPDNBPTXMPI-HNNXBMFYSA-N 1 0 393.329 2.784 20 0 GFADRO [NH2+]=C(NCCNS(=O)(=O)c1ccc(F)cc1Cl)NC1CCCCCC1 ZINC000848988475 661689936 /nfs/dbraw/zinc/68/99/36/661689936.db2.gz GKIQCJWGKJJUDC-UHFFFAOYSA-N 1 0 390.912 2.594 20 0 GFADRO CC1CC[NH+](CCN2C(=O)N[C@H](c3ccccc3Br)C2=O)CC1 ZINC000849351754 661708565 /nfs/dbraw/zinc/70/85/65/661708565.db2.gz LGECMIQLLXAIAK-OAHLLOKOSA-N 1 0 380.286 2.774 20 0 GFADRO O=S(=O)(N[C@H]1CC[N@@H+](C2CCCCC2)C1)c1ccc(Br)o1 ZINC000849461579 661730249 /nfs/dbraw/zinc/73/02/49/661730249.db2.gz SYGMKKBBDBRIRS-NSHDSACASA-N 1 0 377.304 2.727 20 0 GFADRO Cn1cc([C@H]2C[N@H+](C)CC[C@H]2C(=O)NCc2ccc(Br)s2)cn1 ZINC000849495161 661733781 /nfs/dbraw/zinc/73/37/81/661733781.db2.gz BOJJGTLPAWJZJP-ZIAGYGMSSA-N 1 0 397.342 2.596 20 0 GFADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)Nc2ccc(F)c(Br)c2)cn1 ZINC000849552874 661734302 /nfs/dbraw/zinc/73/43/02/661734302.db2.gz LMKWZVFAPRYHCJ-KBPBESRZSA-N 1 0 395.276 2.996 20 0 GFADRO COc1cncc(C[NH2+]C[C@H](CO)Cc2cc(Br)ccc2OC)c1 ZINC000850317596 661770134 /nfs/dbraw/zinc/77/01/34/661770134.db2.gz SYDLGBZKMHGEAL-CQSZACIVSA-N 1 0 395.297 2.802 20 0 GFADRO O=C(c1ccccc1Cl)N1CCC([NH2+]CC[S@](=O)CC(F)(F)F)CC1 ZINC000850349576 661770966 /nfs/dbraw/zinc/77/09/66/661770966.db2.gz IFCHILPAFKLPJT-VWLOTQADSA-N 1 0 396.862 2.845 20 0 GFADRO O=[S@@](CC[NH2+]Cc1cnn(Cc2ccccc2Cl)c1)CC(F)(F)F ZINC000850349674 661771078 /nfs/dbraw/zinc/77/10/78/661771078.db2.gz JBGUQEFSZCVUQO-DEOSSOPVSA-N 1 0 379.835 2.985 20 0 GFADRO CC[N@H+](CCNC(=O)C(=O)Nc1ccc(Br)c(F)c1C)C(C)C ZINC000850375350 661773475 /nfs/dbraw/zinc/77/34/75/661773475.db2.gz GIUGEAXDCTVWSO-UHFFFAOYSA-N 1 0 388.281 2.682 20 0 GFADRO Cn1c(Cl)nc(Cl)c1CNC[C@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000850414177 661775353 /nfs/dbraw/zinc/77/53/53/661775353.db2.gz LKDWCSDSJONIPY-HNNXBMFYSA-N 1 0 382.339 2.633 20 0 GFADRO Cc1ccc(NC(=O)C[C@@H](C)[NH2+]CCS(=O)(=O)CC(F)(F)F)c(C)c1 ZINC000850520290 661780816 /nfs/dbraw/zinc/78/08/16/661780816.db2.gz YZJWEXKPNOCOSR-CYBMUJFWSA-N 1 0 380.432 2.587 20 0 GFADRO C[C@H](CCNC(=O)C(=O)Nc1ccc2cc(Br)ccc2c1)[NH+](C)C ZINC000850595964 661783058 /nfs/dbraw/zinc/78/30/58/661783058.db2.gz JNMJQXIYYXYVBK-GFCCVEGCSA-N 1 0 392.297 2.997 20 0 GFADRO CC[NH2+]Cc1ccccc1NC(=O)N1CCn2ncc(Br)c2C1 ZINC000850752939 661790319 /nfs/dbraw/zinc/79/03/19/661790319.db2.gz VVWMMWOUEVBQJJ-UHFFFAOYSA-N 1 0 378.274 2.803 20 0 GFADRO O=C(Nc1ccc([C@@H]2C[NH2+]CCO2)cc1)N[C@@H]1CC[C@H]2SCCS[C@@H]12 ZINC000850764903 661790766 /nfs/dbraw/zinc/79/07/66/661790766.db2.gz HKNAGOHUZLJNDB-TWMKSMIVSA-N 1 0 379.551 2.849 20 0 GFADRO CC(C)[N@@H+]1CCO[C@H](COC(=O)[C@]2(C)CC2(Br)Br)C1 ZINC000850943034 661798608 /nfs/dbraw/zinc/79/86/08/661798608.db2.gz LRLMJVVBWDYFKO-JQWIXIFHSA-N 1 0 399.123 2.535 20 0 GFADRO C[C@H]([NH2+]C[C@@H](O)c1ccccn1)c1cc2c(cc1Br)OCCO2 ZINC000851896830 661844885 /nfs/dbraw/zinc/84/48/85/661844885.db2.gz MJAVABHABUWJRN-XHDPSFHLSA-N 1 0 379.254 3.000 20 0 GFADRO OC[C@H](C1CCC1)[N@H+](CCn1cnc(Br)n1)Cc1ccccc1 ZINC000852205888 661856357 /nfs/dbraw/zinc/85/63/57/661856357.db2.gz AGYPTKMCPFPIKB-MRXNPFEDSA-N 1 0 379.302 2.704 20 0 GFADRO CC[NH2+]CC1CCN(C(=O)c2ccc(C(F)(F)Br)nc2)CC1 ZINC000852798727 661874660 /nfs/dbraw/zinc/87/46/60/661874660.db2.gz NXVLDLSMZSBSLY-UHFFFAOYSA-N 1 0 376.245 2.988 20 0 GFADRO C[C@H]1CCCN(C(=O)c2cnn(-c3ccccc3)c2Br)[C@H]1C[NH3+] ZINC000852798581 661874681 /nfs/dbraw/zinc/87/46/81/661874681.db2.gz LWYDRNCSHSMXRD-WFASDCNBSA-N 1 0 377.286 2.834 20 0 GFADRO C[C@]([NH3+])(C(=O)N[C@@H]1C[C@@H](O)c2ccccc21)c1ccc(Br)cc1 ZINC000852855581 661875898 /nfs/dbraw/zinc/87/58/98/661875898.db2.gz GBJLBGAIZSNQIU-JFIYKMOQSA-N 1 0 375.266 2.918 20 0 GFADRO C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)C=C2CC[NH2+]CC2)CC1 ZINC000852869752 661876039 /nfs/dbraw/zinc/87/60/39/661876039.db2.gz KPDDPZBXKSHWKV-OAHLLOKOSA-N 1 0 392.341 2.964 20 0 GFADRO Cn1ncc(C(=O)N2CC[NH2+]C[C@H]2c2cccc(Cl)c2)c1Br ZINC000852879658 661876366 /nfs/dbraw/zinc/87/63/66/661876366.db2.gz YDNUEKYMCVFUGU-ZDUSSCGKSA-N 1 0 383.677 2.623 20 0 GFADRO Cc1nn(C)c(Br)c1C(=O)N1CC[NH2+]C[C@H]1c1cccc(Cl)c1 ZINC000852879335 661876390 /nfs/dbraw/zinc/87/63/90/661876390.db2.gz VBNFJSGFROVFDT-ZDUSSCGKSA-N 1 0 397.704 2.931 20 0 GFADRO C[C@]12CCN(C(=O)CC3([NH3+])CCC3)C[C@H]1C2(Br)Br ZINC000852901439 661876755 /nfs/dbraw/zinc/87/67/55/661876755.db2.gz IEOGMWWZIQXYGS-KOLCDFICSA-N 1 0 380.124 2.612 20 0 GFADRO O=C(CO[C@H]1CCC[NH2+]C1)N1CCc2[nH]c3ccc(Br)cc3c2C1 ZINC000852904747 661877054 /nfs/dbraw/zinc/87/70/54/661877054.db2.gz GHVQMVRGNXBDEH-ZDUSSCGKSA-N 1 0 392.297 2.584 20 0 GFADRO Cc1nn(C)c(Br)c1C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000852906772 661877056 /nfs/dbraw/zinc/87/70/56/661877056.db2.gz RTFRPJHEUTZYDZ-ZIAGYGMSSA-N 1 0 395.276 2.506 20 0 GFADRO O[C@H](C[NH2+][C@@H]1C[C@@H](N2CCOCC2)C12CCC2)c1cccc(Br)c1 ZINC000853115324 661882677 /nfs/dbraw/zinc/88/26/77/661882677.db2.gz WQSGLMYMAAZBHX-KZNAEPCWSA-N 1 0 395.341 2.716 20 0 GFADRO COc1ccccc1[C@H](O)C[NH2+]C[C@H](O)COc1ccc(Br)cc1 ZINC000853134006 661883153 /nfs/dbraw/zinc/88/31/53/661883153.db2.gz OJTKYMHMVIHEIP-WMLDXEAASA-N 1 0 396.281 2.521 20 0 GFADRO Brc1ccc(-c2ccn(C[N@@H+]3CC[C@H](Cn4ccnn4)C3)n2)cc1 ZINC000853524465 661890886 /nfs/dbraw/zinc/89/08/86/661890886.db2.gz LOPUMWWHABVFFU-AWEZNQCLSA-N 1 0 387.285 2.884 20 0 GFADRO COC(=O)NC1CC[NH+](Cn2ccc(=O)c3cccc(Br)c32)CC1 ZINC000853626531 661895605 /nfs/dbraw/zinc/89/56/05/661895605.db2.gz ZZZBFWMMGKYMOI-UHFFFAOYSA-N 1 0 394.269 2.542 20 0 GFADRO Cc1ccc(S(=O)(=O)Cc2noc(-c3cc4c(s3)CC[NH2+]C4)n2)cc1 ZINC000854133944 661915612 /nfs/dbraw/zinc/91/56/12/661915612.db2.gz DVCRUNXZPJEHGW-UHFFFAOYSA-N 1 0 375.475 2.726 20 0 GFADRO [NH3+]CCn1cc(-c2nc(C3(c4ccc(Br)s4)CCC3)no2)nn1 ZINC000854156296 661917120 /nfs/dbraw/zinc/91/71/20/661917120.db2.gz IOJUERCGSMJTHW-UHFFFAOYSA-N 1 0 395.286 2.581 20 0 GFADRO CCC[N@@H+]1CC[C@@H](NC(=O)Nc2cc3c(cc2Br)OCCO3)C1 ZINC000854214915 661919057 /nfs/dbraw/zinc/91/90/57/661919057.db2.gz VGHINJMIBIPCTJ-LLVKDONJSA-N 1 0 384.274 2.826 20 0 GFADRO CC(C)[NH+]1CCC(NC(=O)c2cccc(S(=O)(=O)C(F)(F)F)c2)CC1 ZINC000854288043 661922040 /nfs/dbraw/zinc/92/20/40/661922040.db2.gz CRMBKUCCIFWNJL-UHFFFAOYSA-N 1 0 378.416 2.583 20 0 GFADRO CN(CCC[NH+](C)C)CCNC(=O)c1cc2c(ccc(F)c2Br)[nH]1 ZINC000855416841 661991579 /nfs/dbraw/zinc/99/15/79/661991579.db2.gz BYIZYAORVXSMCE-UHFFFAOYSA-N 1 0 399.308 2.683 20 0 GFADRO COc1cc(C(=O)NCC2CC[NH+](CC3CC3)CC2)cnc1Br ZINC000856416688 662032696 /nfs/dbraw/zinc/03/26/96/662032696.db2.gz WNDWTYROLDYNIC-UHFFFAOYSA-N 1 0 382.302 2.705 20 0 GFADRO O=C(NCC1CC[NH+](CC2CC2)CC1)[C@H]1Cc2cc(Br)ccc2O1 ZINC000856416519 662032758 /nfs/dbraw/zinc/03/27/58/662032758.db2.gz SVDYRYBVOBEUIU-GOSISDBHSA-N 1 0 393.325 2.991 20 0 GFADRO C[NH+](C)CCC[C@@H]1CN(C(=O)c2sc(N3CCCC3)nc2Cl)CCO1 ZINC000856430175 662033631 /nfs/dbraw/zinc/03/36/31/662033631.db2.gz SQKLNJOUCIQONG-CYBMUJFWSA-N 1 0 386.949 2.580 20 0 GFADRO Cn1nccc1[C@@H](O)C1CC[NH+](C[C@H](O)c2ccc(Br)cc2)CC1 ZINC000856801094 662044543 /nfs/dbraw/zinc/04/45/43/662044543.db2.gz JZVXDRHAQXCLLG-ROUUACIJSA-N 1 0 394.313 2.662 20 0 GFADRO COC(=O)/C=C1\SCC(=O)N1CCC[NH2+][C@H](C(F)F)C1CCCCC1 ZINC000856823844 662046048 /nfs/dbraw/zinc/04/60/48/662046048.db2.gz UFXMCJOTRCSEGN-DNXIFWLFSA-N 1 0 376.469 2.770 20 0 GFADRO COC(=O)/C=C1\SCC(=O)N1CCC[NH2+][C@@H](C(F)F)C1CCCCC1 ZINC000856823846 662046101 /nfs/dbraw/zinc/04/61/01/662046101.db2.gz UFXMCJOTRCSEGN-SCOADAFUSA-N 1 0 376.469 2.770 20 0 GFADRO O=C(NCCC[NH2+][C@H]1CCCc2cn[nH]c21)c1cccc(Br)c1 ZINC000857851810 662092208 /nfs/dbraw/zinc/09/22/08/662092208.db2.gz HAUBXJGNCOYDBW-HNNXBMFYSA-N 1 0 377.286 2.959 20 0 GFADRO COCO[C@H](C)c1cc(F)c(C[NH2+]C[C@H]2COCCO2)cc1Br ZINC000858100339 662098533 /nfs/dbraw/zinc/09/85/33/662098533.db2.gz DOCQAYHTRUVYDF-YPMHNXCESA-N 1 0 392.265 2.775 20 0 GFADRO Cc1cc(Br)cc(C[NH2+][C@H]2CCN(c3ccc4nncn4n3)C2)c1 ZINC000858243526 662105914 /nfs/dbraw/zinc/10/59/14/662105914.db2.gz KKTMQWGYYVKSLJ-HNNXBMFYSA-N 1 0 387.285 2.564 20 0 GFADRO C[C@H]([NH2+]C[C@]1(CO)COCC2(CCC2)N1C)c1cc(Cl)c(N)c(Cl)c1 ZINC000858465423 662112669 /nfs/dbraw/zinc/11/26/69/662112669.db2.gz FYCDGZSXGPHDCA-SGTLLEGYSA-N 1 0 388.339 2.842 20 0 GFADRO COC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](C)[C@@H]2CC[NH3+])cc1Cl ZINC000858616311 662116640 /nfs/dbraw/zinc/11/66/40/662116640.db2.gz RYKDQSOCRNUXFV-NHYWBVRUSA-N 1 0 389.905 2.656 20 0 GFADRO COc1c(Br)cc(Cl)cc1S(=O)(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000858631405 662117289 /nfs/dbraw/zinc/11/72/89/662117289.db2.gz DJNJIAKPJGAFRQ-WPRPVWTQSA-N 1 0 397.722 2.530 20 0 GFADRO C[NH+]1CCN(c2ccc(-c3noc([C@H]4C[C@@]4(C)Br)n3)nc2)CC1 ZINC000858799206 662123694 /nfs/dbraw/zinc/12/36/94/662123694.db2.gz CPSYVBLANVIYSD-MLGOLLRUSA-N 1 0 378.274 2.524 20 0 GFADRO COC1CC[NH+](C(C)(C)CNC(=O)c2cc(Br)cc(C=O)c2)CC1 ZINC000859271827 662149027 /nfs/dbraw/zinc/14/90/27/662149027.db2.gz GPKYVHWZSLLKQL-UHFFFAOYSA-N 1 0 397.313 2.881 20 0 GFADRO OC[C@@]1([NH2+]C[C@@H](O)c2ccc(F)cn2)CCc2cc(Br)ccc2C1 ZINC000859574831 662168255 /nfs/dbraw/zinc/16/82/55/662168255.db2.gz SFYJZKFNAQEATI-QZTJIDSGSA-N 1 0 395.272 2.526 20 0 GFADRO C[NH2+]CCOCCN(C)C(=O)Nc1ccc(OCC(F)(F)F)c(Cl)c1 ZINC000859686051 662172518 /nfs/dbraw/zinc/17/25/18/662172518.db2.gz OIICZOSBWFYYAB-UHFFFAOYSA-N 1 0 383.798 2.981 20 0 GFADRO C[NH+](C)CCCOC1CCN(C(=O)c2cc(Br)cnc2F)CC1 ZINC000859881517 662177664 /nfs/dbraw/zinc/17/76/64/662177664.db2.gz DQVAZIKZKWCQQJ-UHFFFAOYSA-N 1 0 388.281 2.556 20 0 GFADRO C[C@@H]1C[NH+](CCCCNC(=O)c2cc(Br)cc(C=O)c2)C[C@@H](C)O1 ZINC000859940998 662179669 /nfs/dbraw/zinc/17/96/69/662179669.db2.gz ITCVSLFOEMDWJR-ZIAGYGMSSA-N 1 0 397.313 2.881 20 0 GFADRO C[NH+](C)CCN(Cc1cccs1)C(=O)c1cnc(C2(C)OCCO2)s1 ZINC000859954380 662180227 /nfs/dbraw/zinc/18/02/27/662180227.db2.gz FULGIWAEGPHSQD-UHFFFAOYSA-N 1 0 381.523 2.628 20 0 GFADRO Cc1c(Br)nccc1NC(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000861143381 662228998 /nfs/dbraw/zinc/22/89/98/662228998.db2.gz MVUDODNHBCSVKF-UHFFFAOYSA-N 1 0 397.317 2.871 20 0 GFADRO CO[C@@H]1C[N@H+](C)[C@](C)(COC(=O)c2ccccc2I)C1 ZINC000861338956 662241190 /nfs/dbraw/zinc/24/11/90/662241190.db2.gz KNEZCAADDRHMRR-NHYWBVRUSA-N 1 0 389.233 2.557 20 0 GFADRO CO[C@@H]1C[N@H+](C)[C@@](C)(COC(=O)[C@@H](C)Oc2ccccc2Br)C1 ZINC000861346084 662241477 /nfs/dbraw/zinc/24/14/77/662241477.db2.gz CRTDYTVHLOPYIR-IIYDPXPESA-N 1 0 386.286 2.869 20 0 GFADRO O=C(OCC12CCC[NH+](CCC1)C2)c1cnn2cc(Br)cnc12 ZINC000861360097 662242558 /nfs/dbraw/zinc/24/25/58/662242558.db2.gz HUAQNTQULJVPAO-UHFFFAOYSA-N 1 0 379.258 2.525 20 0 GFADRO Cc1csc(Sc2ccc(NC(=O)C(=O)N(C)C[C@H](C)[NH3+])c(C)c2)n1 ZINC000861541004 662249457 /nfs/dbraw/zinc/24/94/57/662249457.db2.gz SKBGERLZUSALCZ-NSHDSACASA-N 1 0 378.523 2.655 20 0 GFADRO C[C@@H](NC(=O)N(C)C[C@H](C)[NH3+])c1nc(-c2ccc(Br)cc2)no1 ZINC000861611260 662250721 /nfs/dbraw/zinc/25/07/21/662250721.db2.gz LOHDRYRPGRKYDU-VHSXEESVSA-N 1 0 382.262 2.549 20 0 GFADRO COCCCN(C(=O)c1cc(Br)cnc1F)C1CC[NH+](C)CC1 ZINC000861777243 662258294 /nfs/dbraw/zinc/25/82/94/662258294.db2.gz QHFCULSBIPWSPA-UHFFFAOYSA-N 1 0 388.281 2.556 20 0 GFADRO CN(CC[NH+]1CCCC1)C(=O)C(=O)Nc1cccc(SC(F)(F)F)c1 ZINC000861820007 662259826 /nfs/dbraw/zinc/25/98/26/662259826.db2.gz IAIUJQWMXWLEDS-UHFFFAOYSA-N 1 0 375.416 2.791 20 0 GFADRO O=C([C@H](O)c1cc(Cl)cc(Cl)c1)N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000861984395 662265697 /nfs/dbraw/zinc/26/56/97/662265697.db2.gz FISVDGWKMNYNIO-QGZVFWFLSA-N 1 0 387.307 2.740 20 0 GFADRO COCO[C@H](C)c1cc(F)c(CN2C[C@@H]3C[NH2+]C[C@H]3C2)cc1Br ZINC000862252088 662278040 /nfs/dbraw/zinc/27/80/40/662278040.db2.gz CPCSMXMWQGKBQQ-XBFCOCLRSA-N 1 0 387.293 2.921 20 0 GFADRO CC[N@H+](C)Cc1cc(O[C@@H]2CCN(C(=O)[C@@H]3C[C@]3(C)Br)C2)ccn1 ZINC000862253661 662278203 /nfs/dbraw/zinc/27/82/03/662278203.db2.gz SYGGWCKZNXHXEH-RYRKJORJSA-N 1 0 396.329 2.687 20 0 GFADRO C[C@@]1(C[NH+]2CCC([C@@H]3OCC[C@H]3NC(=O)C(F)(F)F)CC2)CCCS1 ZINC000862386694 662284187 /nfs/dbraw/zinc/28/41/87/662284187.db2.gz ZOZKLEVKHYQWNK-YCPHGPKFSA-N 1 0 380.476 2.820 20 0 GFADRO COC(=O)c1ncn(C[N@@H+]2C[C@@H](c3ccc(Br)cc3)C[C@H]2C)n1 ZINC000863323977 662320544 /nfs/dbraw/zinc/32/05/44/662320544.db2.gz WRUHNYJKDLUQLC-YPMHNXCESA-N 1 0 379.258 2.663 20 0 GFADRO CS(=O)(=O)c1ccc([C@@H](O)C[NH2+]Cc2csc(C(F)(F)F)c2)cc1 ZINC000863585436 662339520 /nfs/dbraw/zinc/33/95/20/662339520.db2.gz YLKOHECOTXCMHW-ZDUSSCGKSA-N 1 0 379.425 2.994 20 0 GFADRO CC(C)n1ncc(C(=O)N2CCC[N@H+](C[C@H]3CCCO3)CC2)c1Br ZINC000865040316 662395972 /nfs/dbraw/zinc/39/59/72/662395972.db2.gz MCMLDSPTUUQRBV-CQSZACIVSA-N 1 0 399.333 2.553 20 0 GFADRO C[NH+](C)C[C@H](NC(=S)NC1CCOCC1)c1cccc(C(F)(F)F)c1 ZINC000865242573 662407365 /nfs/dbraw/zinc/40/73/65/662407365.db2.gz BSFNRIJJXLWJIE-HNNXBMFYSA-N 1 0 375.460 2.951 20 0 GFADRO C[NH+]1CCC(NC(=S)N[C@@H]2[C@@H]3Cc4ccc(Br)cc4[C@@H]32)CC1 ZINC000865271597 662408776 /nfs/dbraw/zinc/40/87/76/662408776.db2.gz FWQACIMQSDPSIZ-OWCLPIDISA-N 1 0 380.355 2.646 20 0 GFADRO C[C@@H]1C[C@H](N2C(=O)[C@H](c3ccc(Br)s3)N(C)C2=O)CC[N@@H+]1C ZINC000865301782 662410950 /nfs/dbraw/zinc/41/09/50/662410950.db2.gz MOVKMMOZOSLRGT-BREBYQMCSA-N 1 0 386.315 2.928 20 0 GFADRO Cn1ccnc1[C@@](O)(CC[NH2+]Cc1cccnc1Br)C(F)(F)F ZINC000865428077 662420978 /nfs/dbraw/zinc/42/09/78/662420978.db2.gz PHFFKMDQSGGXGZ-ZDUSSCGKSA-N 1 0 393.207 2.507 20 0 GFADRO C[C@@H](Cc1cccc(Br)c1)[NH2+]Cc1cn(C[C@H]2CCCO2)nn1 ZINC000865430915 662421262 /nfs/dbraw/zinc/42/12/62/662421262.db2.gz VABIEYIOYMNMMM-SUMWQHHRSA-N 1 0 379.302 2.940 20 0 GFADRO CC(C)(C)OC(=O)N[C@H](C[NH2+][C@H]1CCN(CC(F)(F)F)C1)CC(F)F ZINC000865438159 662421551 /nfs/dbraw/zinc/42/15/51/662421551.db2.gz NFAXRYKTQGUYER-QWRGUYRKSA-N 1 0 375.382 2.761 20 0 GFADRO Fc1cc(Br)ccc1CC[NH2+]Cc1cn(C[C@H]2CCOC2)nn1 ZINC000865456443 662422678 /nfs/dbraw/zinc/42/26/78/662422678.db2.gz NRPDPJXIHVEIFG-GFCCVEGCSA-N 1 0 383.265 2.549 20 0 GFADRO COc1cc(C[NH2+]C[C@H]2COC3(CCOCC3)O2)c(F)cc1Br ZINC000865522014 662426457 /nfs/dbraw/zinc/42/64/57/662426457.db2.gz LBKAMPLFSVBQFQ-LBPRGKRZSA-N 1 0 390.249 2.609 20 0 GFADRO O=S1(=O)CCCN1c1ccc(C[NH2+]Cc2cnc(Cl)c(F)c2)cc1F ZINC000865530785 662427085 /nfs/dbraw/zinc/42/70/85/662427085.db2.gz BKPORDACAPORNW-UHFFFAOYSA-N 1 0 387.839 2.843 20 0 GFADRO COc1ccc([C@@H](CO)C[NH2+]Cc2cc(Br)cnc2OC)cc1 ZINC000865600214 662431718 /nfs/dbraw/zinc/43/17/18/662431718.db2.gz HKTOPJWWGDYAQB-CQSZACIVSA-N 1 0 381.270 2.727 20 0 GFADRO CC(C)(O)CN1CC[C@H]([NH2+]Cc2ccnc3c(Br)cccc23)C1 ZINC000865660894 662434807 /nfs/dbraw/zinc/43/48/07/662434807.db2.gz ZJEBIKXWXXACTM-AWEZNQCLSA-N 1 0 378.314 2.932 20 0 GFADRO Brc1ccc2c(c1)C[C@@H]1[C@H]2[C@H]1[NH2+]Cc1cn(C[C@H]2CCCO2)nn1 ZINC000865695226 662437011 /nfs/dbraw/zinc/43/70/11/662437011.db2.gz WFYHHHBQBAARGP-BGTYHANMSA-N 1 0 389.297 2.648 20 0 GFADRO CC[NH+]1CCN([C@H](C)CNC(=O)/C(C)=C/c2ccc(Br)o2)CC1 ZINC000865791790 662443874 /nfs/dbraw/zinc/44/38/74/662443874.db2.gz LKIWEZJMTLBQSA-YPDDLIOESA-N 1 0 384.318 2.588 20 0 GFADRO CC[N@H+](CCNC(=O)c1cnn(C(C)C)c1I)C(C)C ZINC000865819052 662445530 /nfs/dbraw/zinc/44/55/30/662445530.db2.gz MXMKBZDOBQYKPI-UHFFFAOYSA-N 1 0 392.285 2.529 20 0 GFADRO O=C(NC1CC[NH+](Cc2ccc(F)cc2)CC1)c1cc(Br)no1 ZINC000865909634 662450603 /nfs/dbraw/zinc/45/06/03/662450603.db2.gz XBQKVAXNAGNRQB-UHFFFAOYSA-N 1 0 382.233 2.971 20 0 GFADRO COc1cc(I)ccc1C(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000866071251 662459427 /nfs/dbraw/zinc/45/94/27/662459427.db2.gz FXJIZURPXVKXPG-CMPLNLGQSA-N 1 0 388.249 2.512 20 0 GFADRO COc1cc([C@@H](C)[NH2+]CC(C)(C)CS(N)(=O)=O)ccc1SC(F)F ZINC000866570768 662480787 /nfs/dbraw/zinc/48/07/87/662480787.db2.gz PYIAXQBUZKEMPL-SNVBAGLBSA-N 1 0 382.498 2.975 20 0 GFADRO CCc1nc2c(s1)[C@H]([NH2+]CCc1ccc(S(=O)(=O)NC)cc1)CCC2 ZINC000866579664 662481505 /nfs/dbraw/zinc/48/15/05/662481505.db2.gz SMZONLKZJWZCJL-OAHLLOKOSA-N 1 0 379.551 2.823 20 0 GFADRO O=S(=O)(c1oc2ccccc2c1Br)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000866742415 662493750 /nfs/dbraw/zinc/49/37/50/662493750.db2.gz WILDCHGMTSUPGM-MNOVXSKESA-N 1 0 385.283 2.710 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H]2CN(S(=O)(=O)c3oc4ccccc4c3Br)C[C@@H]21 ZINC000866757946 662495059 /nfs/dbraw/zinc/49/50/59/662495059.db2.gz IZUCYQZIMIHFCW-KGYLQXTDSA-N 1 0 399.310 2.943 20 0 GFADRO CC[C@H]1CN(S(=O)(=O)Cc2cc(C)ccc2Br)CC[C@@H]1[NH3+] ZINC000866758670 662495249 /nfs/dbraw/zinc/49/52/49/662495249.db2.gz WQRSUKHVAGGFCZ-WFASDCNBSA-N 1 0 375.332 2.647 20 0 GFADRO [NH3+]CCCN(Cc1ccccc1)S(=O)(=O)c1cc2nc(Cl)ncc2s1 ZINC000866759028 662495302 /nfs/dbraw/zinc/49/53/02/662495302.db2.gz LMSCXZGWRYLANG-UHFFFAOYSA-N 1 0 396.925 2.884 20 0 GFADRO C/C(=C/c1ccc(Br)o1)C(=O)NCCCC[N@@H+]1CCC[C@@H]1CO ZINC000866783800 662498250 /nfs/dbraw/zinc/49/82/50/662498250.db2.gz VWKSFOTXHSSUSV-YBEMTRGBSA-N 1 0 385.302 2.799 20 0 GFADRO C[C@@H](NC(=O)c1cnn(CC[NH+](C)C)c1)[C@H](O)c1c(Cl)cccc1Cl ZINC000866789887 662499034 /nfs/dbraw/zinc/49/90/34/662499034.db2.gz OSOSNLVXWAECEI-BZNIZROVSA-N 1 0 385.295 2.603 20 0 GFADRO [NH3+]CC12CCC(CC1)N2S(=O)(=O)c1cccc(Cl)c1Br ZINC000866795096 662499165 /nfs/dbraw/zinc/49/91/65/662499165.db2.gz TZRQYHOORJFGNO-UHFFFAOYSA-N 1 0 379.707 2.747 20 0 GFADRO COc1cc(Cl)c(S(=O)(=O)N2CC[C@](C[NH3+])(C(C)(C)C)C2)cc1OC ZINC000866815431 662501421 /nfs/dbraw/zinc/50/14/21/662501421.db2.gz PQVSKBVTGVVAQF-QGZVFWFLSA-N 1 0 390.933 2.743 20 0 GFADRO O=S(=O)(c1cccc(Br)c1Cl)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000866822783 662502061 /nfs/dbraw/zinc/50/20/61/662502061.db2.gz CXYSUXXVKKTJAA-MNOVXSKESA-N 1 0 379.707 2.618 20 0 GFADRO CC(C)n1ncc(C(=O)N2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)c1Br ZINC000866864947 662504891 /nfs/dbraw/zinc/50/48/91/662504891.db2.gz DWFUDWPIFZEVSU-VHDGCEQUSA-N 1 0 399.333 2.550 20 0 GFADRO O=S(=O)(NC1CCC([NH+]2CCCCC2)CC1)c1c[nH]nc1C(F)(F)F ZINC000866932032 662509417 /nfs/dbraw/zinc/50/94/17/662509417.db2.gz IVEWXQVFIHQILJ-UHFFFAOYSA-N 1 0 380.436 2.504 20 0 GFADRO C[NH+](C)CCn1cc(NC(=O)c2ccc(SC(F)(F)F)o2)ccc1=O ZINC000866976678 662513813 /nfs/dbraw/zinc/51/38/13/662513813.db2.gz WIAYCNGXUUOVFL-UHFFFAOYSA-N 1 0 375.372 2.867 20 0 GFADRO COC(=O)c1cc(Cl)ccc1S(=O)(=O)NC1CCC(C)([NH+](C)C)CC1 ZINC000867743750 662571631 /nfs/dbraw/zinc/57/16/31/662571631.db2.gz XAGKYBGZNYTMGD-UHFFFAOYSA-N 1 0 388.917 2.668 20 0 GFADRO C[N@@H+]1CC[C@H]2CN(S(=O)(=O)c3cc(Cl)ccc3OC(F)F)CC[C@@H]21 ZINC000867806291 662577764 /nfs/dbraw/zinc/57/77/64/662577764.db2.gz FSCKLYQKIYIJKW-JQWIXIFHSA-N 1 0 380.844 2.656 20 0 GFADRO C[N@@H+]1CC[C@H]2CN(S(=O)(=O)c3cccc(Cl)c3Br)CC[C@H]21 ZINC000867809556 662578364 /nfs/dbraw/zinc/57/83/64/662578364.db2.gz SQVGKEIDWHHDAW-CMPLNLGQSA-N 1 0 393.734 2.817 20 0 GFADRO [NH3+][C@@H](C(=O)Nc1cccc(N2CCOCC2)c1)c1cccc(Br)c1 ZINC000867955341 662589207 /nfs/dbraw/zinc/58/92/07/662589207.db2.gz YJAYFWJBVWUZAF-QGZVFWFLSA-N 1 0 390.281 2.924 20 0 GFADRO CC(C)(C)C(=O)N1CCC(NC(=O)[C@@H]([NH3+])c2cccc(Br)c2)CC1 ZINC000867984425 662590508 /nfs/dbraw/zinc/59/05/08/662590508.db2.gz WMFHFZPLZCLGBT-HNNXBMFYSA-N 1 0 396.329 2.602 20 0 GFADRO C[C@H](NC(=O)c1cc(F)ccc1I)C1CC[NH2+]CC1 ZINC000868010522 662591277 /nfs/dbraw/zinc/59/12/77/662591277.db2.gz KWIAXGNBBSLVQL-VIFPVBQESA-N 1 0 376.213 2.548 20 0 GFADRO COCCC1(NC(=O)CSCC(=O)c2ccc(Cl)cc2)CC[NH2+]CC1 ZINC000868039693 662592223 /nfs/dbraw/zinc/59/22/23/662592223.db2.gz HMOLIVVTMZDXFM-UHFFFAOYSA-N 1 0 384.929 2.531 20 0 GFADRO [NH3+]CC12CCC(CC1)N2C(=O)Nc1cc2c(cc1Br)OCCO2 ZINC000868094042 662594409 /nfs/dbraw/zinc/59/44/09/662594409.db2.gz LQKHSQMVGNOCGW-UHFFFAOYSA-N 1 0 382.258 2.708 20 0 GFADRO O=C(Nc1cccc(F)c1I)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000868139073 662595783 /nfs/dbraw/zinc/59/57/83/662595783.db2.gz OSGMGERVKZTMFT-JQWIXIFHSA-N 1 0 389.212 2.789 20 0 GFADRO [NH3+][C@H]1C[C@@H](CNC(=O)Nc2ccc(-c3ccc(Br)s3)nn2)C1 ZINC000868154773 662596831 /nfs/dbraw/zinc/59/68/31/662596831.db2.gz LDZKBGQDLAAKDZ-DTORHVGOSA-N 1 0 382.287 2.826 20 0 GFADRO [NH3+]CC12CCC(CC1)N2C(=O)C(=O)Nc1cc(Cl)ccc1Br ZINC000868288481 662600544 /nfs/dbraw/zinc/60/05/44/662600544.db2.gz GTNQHKCSSNCPPP-UHFFFAOYSA-N 1 0 386.677 2.523 20 0 GFADRO CC[NH+]1CCC(NC(=O)N[C@@H]2[C@@H]3Cc4ccc(Br)cc4[C@@H]32)CC1 ZINC000868351747 662602547 /nfs/dbraw/zinc/60/25/47/662602547.db2.gz FIODORIVGFBDLT-IXDOHACOSA-N 1 0 378.314 2.871 20 0 GFADRO C[NH+](C)CCn1nccc1NC(=O)[C@@H]1[C@@H]2Cc3ccc(Br)cc3[C@@H]21 ZINC000868584374 662610496 /nfs/dbraw/zinc/61/04/96/662610496.db2.gz BZJHVVVYNZLJLY-HYVNUMGLSA-N 1 0 389.297 2.732 20 0 GFADRO CC(=O)N[C@@H](C(=O)NC(C)(C)C[NH+]1CCCC1)c1cccc(Br)c1 ZINC000868806915 662620302 /nfs/dbraw/zinc/62/03/02/662620302.db2.gz FUBXSUOSJWPKAA-MRXNPFEDSA-N 1 0 396.329 2.617 20 0 GFADRO COC[C@H](NC(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1)c1cccc(Br)c1 ZINC000869148626 662631958 /nfs/dbraw/zinc/63/19/58/662631958.db2.gz JSPJJWFEFBZTQL-HYVNUMGLSA-N 1 0 396.329 2.872 20 0 GFADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)NCc2ncc(Br)s2)C1 ZINC000869194191 662634263 /nfs/dbraw/zinc/63/42/63/662634263.db2.gz HZVYURFSGNBRLN-NSHDSACASA-N 1 0 375.336 2.779 20 0 GFADRO CC(=O)N[C@@H](C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1)c1cccc(Br)c1 ZINC000869233733 662636639 /nfs/dbraw/zinc/63/66/39/662636639.db2.gz OYUBGKGJNODLNZ-JKSUJKDBSA-N 1 0 396.329 2.615 20 0 GFADRO COCCN(CC1CC[NH+](C)CC1)C(=O)c1cc(O)cc(Br)c1 ZINC000869758703 662660354 /nfs/dbraw/zinc/66/03/54/662660354.db2.gz BACAXJIMRATDJW-UHFFFAOYSA-N 1 0 385.302 2.585 20 0 GFADRO CO[C@@H]1C[N@H+](C)[C@@](C)(COC(=O)c2ccc3cncc(Br)c3n2)C1 ZINC000870487496 662691985 /nfs/dbraw/zinc/69/19/85/662691985.db2.gz PFBFMHGEFSYIIX-YVEFUNNKSA-N 1 0 394.269 2.658 20 0 GFADRO CC(C)[C@H](C[NH+](C)C)OC(=O)c1sccc1S(=O)(=O)N1CCCCC1 ZINC000870571710 662694801 /nfs/dbraw/zinc/69/48/01/662694801.db2.gz RXZUZRKDUOXEEW-AWEZNQCLSA-N 1 0 388.555 2.666 20 0 GFADRO CCC1([NH+](C)C)CCN(C(=O)c2c(Br)nc3n2CCCC3)CC1 ZINC000870574594 662694996 /nfs/dbraw/zinc/69/49/96/662694996.db2.gz LLGINIXMMFHMHE-UHFFFAOYSA-N 1 0 383.334 2.928 20 0 GFADRO C[C@@H](C[C@H]1CCCC[N@@H+]1C)OC(=O)c1nccn2c(Br)cnc12 ZINC000870786646 662701649 /nfs/dbraw/zinc/70/16/49/662701649.db2.gz YICRWSYAZLZVEB-NWDGAFQWSA-N 1 0 381.274 2.912 20 0 GFADRO [NH3+][C@@H](C(=O)NCc1ccc(N2CCCC2)nc1)c1cccc(Br)c1 ZINC000870862901 662703719 /nfs/dbraw/zinc/70/37/19/662703719.db2.gz FPMAPDMAPTUFOY-QGZVFWFLSA-N 1 0 389.297 2.761 20 0 GFADRO CCCCNC(=O)C1CCN(C(=O)[C@@H]([NH3+])c2cccc(Br)c2)CC1 ZINC000870882602 662704551 /nfs/dbraw/zinc/70/45/51/662704551.db2.gz PYRZUKJDEPWCID-INIZCTEOSA-N 1 0 396.329 2.604 20 0 GFADRO O=C(c1ccc2ccc(Br)cc2c1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000870913998 662707896 /nfs/dbraw/zinc/70/78/96/662707896.db2.gz IDSPBCNTCPCYAI-SFHVURJKSA-N 1 0 388.309 2.722 20 0 GFADRO O=C(c1cc(Br)cn2ccnc12)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000870914765 662708078 /nfs/dbraw/zinc/70/80/78/662708078.db2.gz SUXCSZRFPPKAOK-ZIAGYGMSSA-N 1 0 391.313 2.949 20 0 GFADRO [NH3+][C@H](C(=O)NC[C@@H](CCO)c1ccccc1)c1cccc(Br)c1 ZINC000870926144 662708711 /nfs/dbraw/zinc/70/87/11/662708711.db2.gz YPZKTFUCNIFBRW-WBVHZDCISA-N 1 0 377.282 2.731 20 0 GFADRO O=C(N[C@@H]1CCC[NH2+]C1)c1c(F)ccc(I)c1Cl ZINC000870933405 662708915 /nfs/dbraw/zinc/70/89/15/662708915.db2.gz XCCOGADNBHCECE-SSDOTTSWSA-N 1 0 382.604 2.566 20 0 GFADRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)c1c(F)ccc(I)c1Cl ZINC000870940196 662709304 /nfs/dbraw/zinc/70/93/04/662709304.db2.gz IMQWWEGFCDLVCD-XVKPBYJWSA-N 1 0 396.631 2.812 20 0 GFADRO O=C(N[C@H](C[C@H]1CCCO1)C(F)(F)F)c1csc(C2CC[NH2+]CC2)n1 ZINC000870950768 662711269 /nfs/dbraw/zinc/71/12/69/662711269.db2.gz LTMLVFORYGLDCA-DGCLKSJQSA-N 1 0 377.432 2.840 20 0 GFADRO O=C(c1cc(Br)cn2ccnc12)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000870951910 662711271 /nfs/dbraw/zinc/71/12/71/662711271.db2.gz XSVSLFTXDDJWQV-AWEZNQCLSA-N 1 0 391.313 2.949 20 0 GFADRO [NH3+][C@H]1C[C@H](CNC(=O)c2ccc(NC(=O)CSc3cccs3)cc2)C1 ZINC000870970818 662711892 /nfs/dbraw/zinc/71/18/92/662711892.db2.gz KWZMEBLWWUABOA-MQMHXKEQSA-N 1 0 375.519 2.946 20 0 GFADRO C[C@H](NC(=O)c1cc(=O)[nH]c2c(Br)cccc12)C1CC[NH2+]CC1 ZINC000870987837 662712377 /nfs/dbraw/zinc/71/23/77/662712377.db2.gz ULWSPZWRIBBAAT-JTQLQIEISA-N 1 0 378.270 2.821 20 0 GFADRO C[NH+](C)C1(C)CCC(NC(=O)c2c(Br)nc3n2CCCC3)CC1 ZINC000871362521 662720401 /nfs/dbraw/zinc/72/04/01/662720401.db2.gz ZEWHVBCQUAUUFE-UHFFFAOYSA-N 1 0 383.334 2.975 20 0 GFADRO C[NH+](C)C1(C)CCC(NC(=O)c2csc(I)n2)CC1 ZINC000871360923 662720455 /nfs/dbraw/zinc/72/04/55/662720455.db2.gz NTFGYPXUKNVIME-UHFFFAOYSA-N 1 0 393.294 2.740 20 0 GFADRO COc1cc(OC)c(NC(=O)N2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1Cl ZINC000871674253 662730845 /nfs/dbraw/zinc/73/08/45/662730845.db2.gz UVZSKEYMCYLFTL-IUCAKERBSA-N 1 0 381.782 2.958 20 0 GFADRO COc1cc(I)ccc1-c1nc([C@H]2CCC[NH2+]C2)no1 ZINC000871789811 662734135 /nfs/dbraw/zinc/73/41/35/662734135.db2.gz PLHCHWODADELTG-VIFPVBQESA-N 1 0 385.205 2.817 20 0 GFADRO O=S(=O)(Cc1ccc(Cl)c(Cl)c1)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000871810535 662734900 /nfs/dbraw/zinc/73/49/00/662734900.db2.gz NOINYNMYEOEAGU-ZDUSSCGKSA-N 1 0 393.336 2.572 20 0 GFADRO [NH3+]C[C@H]1CN(S(=O)(=O)c2cccc(Cl)c2Cl)C[C@@H]1C(F)(F)F ZINC000871811843 662734905 /nfs/dbraw/zinc/73/49/05/662734905.db2.gz SMZTXQYBDWUCSV-YUMQZZPRSA-N 1 0 377.215 2.751 20 0 GFADRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2c(Cl)cc(F)cc2Cl)C[C@@H]1C(F)(F)F ZINC000871812907 662735130 /nfs/dbraw/zinc/73/51/30/662735130.db2.gz DPQUUNRFMJGQCO-SVRRBLITSA-N 1 0 395.205 2.890 20 0 GFADRO Cc1cc(S(=O)(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)ccc1C(F)(F)F ZINC000871813640 662735271 /nfs/dbraw/zinc/73/52/71/662735271.db2.gz JRIFIMNEBWKDEV-SKDRFNHKSA-N 1 0 390.349 2.772 20 0 GFADRO Cc1ccc(NC(=O)[C@H](C)Nc2cc3n(n2)CC[N@H+](C)C3)c(Br)c1 ZINC000871929429 662743201 /nfs/dbraw/zinc/74/32/01/662743201.db2.gz YMDAGVQHKISJBJ-LBPRGKRZSA-N 1 0 392.301 2.839 20 0 GFADRO O[C@@H](Cn1ccc(C(F)(F)Br)n1)C[N@@H+]1CCc2ccccc2C1 ZINC000871986122 662749428 /nfs/dbraw/zinc/74/94/28/662749428.db2.gz CFQZGVFAMXVQGT-CQSZACIVSA-N 1 0 386.240 2.747 20 0 GFADRO CCS(=O)(=O)CC[NH2+][C@H](c1cccc(Br)c1)[C@@H]1CCOC1 ZINC000872030755 662754090 /nfs/dbraw/zinc/75/40/90/662754090.db2.gz BWJGHITWUQJRNM-UKRRQHHQSA-N 1 0 376.316 2.551 20 0 GFADRO CC(C)(C)[C@H]1C[C@H]([NH2+]CC2CCN(S(=O)(=O)C(F)(F)F)CC2)CCO1 ZINC000872033599 662754240 /nfs/dbraw/zinc/75/42/40/662754240.db2.gz CKHBUYKTJDRXLB-ZIAGYGMSSA-N 1 0 386.480 2.731 20 0 GFADRO Brc1cccc([C@H]([NH2+]C[C@@H]2CN3CCC[C@@H]3CO2)[C@H]2CCOC2)c1 ZINC000872034503 662754285 /nfs/dbraw/zinc/75/42/85/662754285.db2.gz PIBRBHPOCDRAPE-AITUJVMLSA-N 1 0 395.341 2.980 20 0 GFADRO CC(C)S(=O)(=O)CC[NH2+][C@@H](c1cccc(Br)c1)[C@H]1CCOC1 ZINC000872072798 662755308 /nfs/dbraw/zinc/75/53/08/662755308.db2.gz KAQQWLRCWDZUDK-HOCLYGCPSA-N 1 0 390.343 2.940 20 0 GFADRO COc1cc([C@@H](C)[NH2+]CCOC(F)(F)C(F)(F)F)ccc1S(C)(=O)=O ZINC000872110075 662756077 /nfs/dbraw/zinc/75/60/77/662756077.db2.gz CEKBVJNTRYGDCQ-SECBINFHSA-N 1 0 391.358 2.921 20 0 GFADRO O=S1(=O)CC[C@@H]([NH2+]C[C@H](O)Cc2cccc(Cl)c2)c2cc(F)ccc21 ZINC000872128996 662756387 /nfs/dbraw/zinc/75/63/87/662756387.db2.gz QCJZSYNSZUAODO-NVXWUHKLSA-N 1 0 383.872 2.891 20 0 GFADRO COc1cc(Cl)c(C)cc1NC(=O)CN1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000872147178 662756469 /nfs/dbraw/zinc/75/64/69/662756469.db2.gz FHHYQDIUWHLHFG-WDEREUQCSA-N 1 0 379.810 2.665 20 0 GFADRO [NH3+]C[C@@H]1CN([C@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)C[C@@H]1C(F)(F)F ZINC000872152876 662757016 /nfs/dbraw/zinc/75/70/16/662757016.db2.gz WPPPZFAJTBYFAC-PUYPPJJSSA-N 1 0 379.785 2.653 20 0 GFADRO COc1ccccc1COC[C@H](O)C[NH2+]Cc1ccc(Br)cn1 ZINC000872234832 662758807 /nfs/dbraw/zinc/75/88/07/662758807.db2.gz ZCQMJLNELSRGPW-MRXNPFEDSA-N 1 0 381.270 2.520 20 0 GFADRO O=C1OC[C@]2(C[NH2+]C3CC(c4ccc(Br)cc4F)C3)COCCN12 ZINC000872260815 662759389 /nfs/dbraw/zinc/75/93/89/662759389.db2.gz DSNRXIPRRYYPEG-YUNLISADSA-N 1 0 399.260 2.645 20 0 GFADRO C[NH+](C)C[C@@H]1CCN(S(=O)(=O)CCCc2ccc(C(F)(F)F)cc2)C1 ZINC000872449875 662767959 /nfs/dbraw/zinc/76/79/59/662767959.db2.gz UDMSSBQOBYLXPN-HNNXBMFYSA-N 1 0 378.460 2.851 20 0 GFADRO Cc1[nH+]c2ccc(Br)cc2c(NC2CC[NH+](CC(=O)[O-])CC2)c1C ZINC000873068095 662798208 /nfs/dbraw/zinc/79/82/08/662798208.db2.gz ZQQVYVGWNFUQBQ-UHFFFAOYSA-N 1 0 392.297 2.997 20 0 GFADRO Cc1sc(C[NH2+][C@@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)cc1Br ZINC000873066498 662798228 /nfs/dbraw/zinc/79/82/28/662798228.db2.gz VTJSNOXSBQFPDN-LKFCYVNXSA-N 1 0 383.315 2.836 20 0 GFADRO COCc1nc2n(n1)C[C@@H]([NH2+]Cc1cccc(Cl)c1Br)CC2 ZINC000873076472 662798845 /nfs/dbraw/zinc/79/88/45/662798845.db2.gz NFLOOSFZXQHZIF-NSHDSACASA-N 1 0 385.693 2.945 20 0 GFADRO COc1ccc(Cn2cc(C[NH2+][C@@H]3CC[C@H]4SCCS[C@@H]34)nn2)cc1 ZINC000873097854 662799675 /nfs/dbraw/zinc/79/96/75/662799675.db2.gz XFVIZEJOLCLKEE-KURKYZTESA-N 1 0 376.551 2.804 20 0 GFADRO CCS(=O)(=O)N1CCC(C[NH2+]Cc2cc(Br)c(C)s2)CC1 ZINC000873103552 662799794 /nfs/dbraw/zinc/79/97/94/662799794.db2.gz GAMWRRFGNACPLY-UHFFFAOYSA-N 1 0 395.388 2.970 20 0 GFADRO CS(=O)(=O)CCCCC[NH2+]Cc1cccc(F)c1I ZINC000873108360 662800020 /nfs/dbraw/zinc/80/00/20/662800020.db2.gz IHHCEWBOQRNKLK-UHFFFAOYSA-N 1 0 399.269 2.735 20 0 GFADRO C[C@@H]([NH2+]Cc1c(Br)c2ccccc2n1C)C1(S(C)(=O)=O)CC1 ZINC000873125424 662800606 /nfs/dbraw/zinc/80/06/06/662800606.db2.gz MQZUBWRZMDPODJ-LLVKDONJSA-N 1 0 385.327 2.996 20 0 GFADRO COCO[C@@H](C)c1cc(F)c(C[NH2+][C@@H]2CCOC[C@H]2O)cc1Br ZINC000873198807 662803759 /nfs/dbraw/zinc/80/37/59/662803759.db2.gz NTWMHGIRWSFHLC-AMKSKSKJSA-N 1 0 392.265 2.509 20 0 GFADRO Cc1ccc([C@H](NCc2cc3c(s2)CC[NH2+]C3)[C@@H](C)S(C)(=O)=O)cc1 ZINC000873210860 662803947 /nfs/dbraw/zinc/80/39/47/662803947.db2.gz QUDMQFUMTIEWKU-AUUYWEPGSA-N 1 0 378.563 2.966 20 0 GFADRO Nc1cc(C(=O)NC2CC[NH+](CC3CCCC3)CC2)cc(Br)n1 ZINC000874247165 662826631 /nfs/dbraw/zinc/82/66/31/662826631.db2.gz ODEWHPXAUFZFDW-UHFFFAOYSA-N 1 0 381.318 2.811 20 0 GFADRO COc1c(Cl)cc(NC(=O)C(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3C)cc1Cl ZINC000874364621 662830263 /nfs/dbraw/zinc/83/02/63/662830263.db2.gz MRCZJNAMIJFQTE-KGLIPLIRSA-N 1 0 386.279 2.636 20 0 GFADRO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)[C@@H]1CCO[C@H]1c1cncc(Br)c1 ZINC000874822537 662837248 /nfs/dbraw/zinc/83/72/48/662837248.db2.gz BNVRKFJUERRTCU-TWMKSMIVSA-N 1 0 394.313 2.617 20 0 GFADRO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)c1cc(=O)c2cc(Br)ccc2o1 ZINC000874825171 662837495 /nfs/dbraw/zinc/83/74/95/662837495.db2.gz OKSFUSWUWAOWSQ-KBPBESRZSA-N 1 0 391.265 2.864 20 0 GFADRO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)c1ccn(-c2cccc(Br)c2)n1 ZINC000874836710 662837992 /nfs/dbraw/zinc/83/79/92/662837992.db2.gz DGVJDMNJFVLSAT-DLBZAZTESA-N 1 0 389.297 2.944 20 0 GFADRO C[N@@H+]1CCC[C@H]2[C@H]1CCN2C(=O)c1cn(-c2ccc(Br)cc2)cn1 ZINC000874835208 662838044 /nfs/dbraw/zinc/83/80/44/662838044.db2.gz XKNAYNJSLZMGLR-SJORKVTESA-N 1 0 389.297 2.944 20 0 GFADRO C[NH+](C)C1(C)CCC(NC(=O)C(=O)NCc2cccc(Cl)c2Cl)CC1 ZINC000875036383 662841136 /nfs/dbraw/zinc/84/11/36/662841136.db2.gz ZFTPUNIGLWZROR-UHFFFAOYSA-N 1 0 386.323 2.989 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCc2ncc(Br)s2)[C@H](C)C1 ZINC000876287696 662859075 /nfs/dbraw/zinc/85/90/75/662859075.db2.gz VZTGIVWVKOGLDD-GHMZBOCLSA-N 1 0 375.336 2.777 20 0 GFADRO C[C@H](CNC(=O)[C@H](F)[C@@H]1CC[NH2+]C1)Sc1ccc(Br)cc1 ZINC000876656977 662864492 /nfs/dbraw/zinc/86/44/92/662864492.db2.gz AVLLJNNIAUQZPH-JTNHKYCSSA-N 1 0 375.307 2.994 20 0 GFADRO COc1cccc(C[C@H]([NH3+])C(=O)NC[C@@H](O)c2c(Cl)cccc2Cl)c1 ZINC000876677838 662864640 /nfs/dbraw/zinc/86/46/40/662864640.db2.gz WCBYFFXHQLXDAY-JKSUJKDBSA-N 1 0 383.275 2.722 20 0 GFADRO C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000876735269 662865694 /nfs/dbraw/zinc/86/56/94/662865694.db2.gz CIRGOOMJOOZGSB-PTQVWGBESA-N 1 0 392.341 2.803 20 0 GFADRO O=C(/C=C/[C@@H]1CCC[NH2+]C1)NC[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000876737834 662865714 /nfs/dbraw/zinc/86/57/14/662865714.db2.gz WGKIVLJPFGUVIV-MIVXPEEVSA-N 1 0 392.341 2.947 20 0 GFADRO O=C([C@H]1[C@@H]2c3ccc(Br)cc3C[C@H]12)N1CCC2(C1)CC[NH2+]CC2 ZINC000876792947 662866534 /nfs/dbraw/zinc/86/65/34/662866534.db2.gz AKPAOFOOWVYMOQ-GVDBMIGSSA-N 1 0 375.310 2.937 20 0 GFADRO CCOC(=O)Nc1ccc(Br)cc1NC(=O)[C@H](F)[C@H]1CC[NH2+]C1 ZINC000876896344 662867816 /nfs/dbraw/zinc/86/78/16/662867816.db2.gz AXJZCKINFHNCMP-TVQRCGJNSA-N 1 0 388.237 2.904 20 0 GFADRO O=C(/C=C/[C@H]1CCC[NH2+]C1)NCc1noc(-c2cccc(Br)c2)n1 ZINC000876910875 662868017 /nfs/dbraw/zinc/86/80/17/662868017.db2.gz OTMGILRZZMYAMK-NNNHXZLVSA-N 1 0 391.269 2.671 20 0 GFADRO CC(C)n1ncc(C(=O)N2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)c1Br ZINC000876921097 662868119 /nfs/dbraw/zinc/86/81/19/662868119.db2.gz KDOOKDGDHMDOTO-HIFRSBDPSA-N 1 0 399.333 2.585 20 0 GFADRO C[C@@H]1[C@@H](c2ccc(Br)cc2)OCCN1C(=O)[C@H](F)[C@H]1CC[NH2+]C1 ZINC000876963837 662868736 /nfs/dbraw/zinc/86/87/36/662868736.db2.gz ZQLBXWDANYAXSP-JMGFVUJMSA-N 1 0 385.277 2.685 20 0 GFADRO O=C([C@@H]1C[NH2+]C[C@H]1c1ccc(Cl)cc1)N1CCO[C@@H](CC(F)(F)F)C1 ZINC000876979150 662869139 /nfs/dbraw/zinc/86/91/39/662869139.db2.gz VRAJYESTOIMCSO-SOUVJXGZSA-N 1 0 376.806 2.823 20 0 GFADRO NS(=O)(=O)c1cccc(C[NH2+]C[C@H]2CCN(c3ccc(Cl)cc3)C2)c1 ZINC000876991272 662869285 /nfs/dbraw/zinc/86/92/85/662869285.db2.gz WNQBQSMCCBDDHG-OAHLLOKOSA-N 1 0 379.913 2.604 20 0 GFADRO COC(=O)c1ccc(C[NH2+][C@@H]2CCN(CC(F)(F)F)C2)cc1Br ZINC000876991650 662869336 /nfs/dbraw/zinc/86/93/36/662869336.db2.gz RKNZUOJSDPFWHY-LLVKDONJSA-N 1 0 395.219 2.962 20 0 GFADRO C[C@H]([NH2+]Cc1cnn2cc(Br)cnc12)[C@@H](O)c1ccc(F)cc1 ZINC000877034513 662869952 /nfs/dbraw/zinc/86/99/52/662869952.db2.gz JFOZACNSWSSDRF-ZUZCIYMTSA-N 1 0 379.233 2.843 20 0 GFADRO O=S1(=O)CCC(C[NH2+][C@H]2CCCN(Cc3ccc(F)cc3Cl)C2)CC1 ZINC000877037811 662869973 /nfs/dbraw/zinc/86/99/73/662869973.db2.gz XNIDAISQSJCRJE-KRWDZBQOSA-N 1 0 388.936 2.858 20 0 GFADRO COC(=O)c1ccc(C[NH2+][C@@H]2CCC[C@@H](C(=O)N(C)C)C2)cc1Br ZINC000877044493 662870235 /nfs/dbraw/zinc/87/02/35/662870235.db2.gz AVDHKCURXAEOFX-ZIAGYGMSSA-N 1 0 397.313 2.972 20 0 GFADRO COc1cnc(F)c(C[NH2+]C[C@H](O)COc2ccccc2Br)c1 ZINC000877110228 662871206 /nfs/dbraw/zinc/87/12/06/662871206.db2.gz NLDISQIUPMNMMJ-LBPRGKRZSA-N 1 0 385.233 2.521 20 0 GFADRO O=C(N1CC2(CCOCC2)c2ccc(Br)cc21)[C@]1(F)CC[NH2+]C1 ZINC000877138732 662871569 /nfs/dbraw/zinc/87/15/69/662871569.db2.gz CAQJVYQMNIGEEK-KRWDZBQOSA-N 1 0 383.261 2.546 20 0 GFADRO [NH3+]CC12CCC(CC1)N2C(=O)c1ccc(-n2cc(Br)cn2)cc1 ZINC000877190435 662872187 /nfs/dbraw/zinc/87/21/87/662872187.db2.gz FKKWUQRTTRAFEY-UHFFFAOYSA-N 1 0 375.270 2.731 20 0 GFADRO COc1cc(Br)ccc1NC(=O)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000877204777 662872280 /nfs/dbraw/zinc/87/22/80/662872280.db2.gz NXNFQKKIVWLPKN-ZDUSSCGKSA-N 1 0 379.258 2.831 20 0 GFADRO [NH3+]C1(C(=O)N[C@@H]2[C@H]3Cc4ccc(Br)cc4[C@@H]23)Cc2ccccc2C1 ZINC000877260601 662872615 /nfs/dbraw/zinc/87/26/15/662872615.db2.gz BEQNAYBLZKJVPJ-RCCFBDPRSA-N 1 0 383.289 2.700 20 0 GFADRO O=C(c1ccc(Cl)s1)N1CCC(C(=O)N2CCC[C@@H]3[NH2+]CC[C@@H]32)CC1 ZINC000877281419 662873099 /nfs/dbraw/zinc/87/30/99/662873099.db2.gz LNYMRRCSCKEZLV-KBPBESRZSA-N 1 0 381.929 2.607 20 0 GFADRO O=C([C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000877280918 662873102 /nfs/dbraw/zinc/87/31/02/662873102.db2.gz JUZVEDLOMCFJFL-UHOFOFEASA-N 1 0 382.291 2.699 20 0 GFADRO O=C(c1cc(Cl)ccc1I)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000877284255 662873158 /nfs/dbraw/zinc/87/31/58/662873158.db2.gz LVOSWBFPCPADQR-CHWSQXEVSA-N 1 0 390.652 2.911 20 0 GFADRO Cc1ccc(CC(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)cc1Br ZINC000877330277 662873797 /nfs/dbraw/zinc/87/37/97/662873797.db2.gz ZDOMCKAUTHLDFB-OAHLLOKOSA-N 1 0 381.314 2.575 20 0 GFADRO O=C(NC[C@H]1CC2(CO1)CC[NH2+]CC2)c1cc(Br)ccc1Cl ZINC000877337702 662873961 /nfs/dbraw/zinc/87/39/61/662873961.db2.gz SJTANKRAZBVAAI-GFCCVEGCSA-N 1 0 387.705 2.991 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)c2cc(F)c(Br)cc2F)C[C@H]1C(F)(F)F ZINC000877354578 662874130 /nfs/dbraw/zinc/87/41/30/662874130.db2.gz HQFYKFYGMHUHKE-POYBYMJQSA-N 1 0 387.146 2.937 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)c2ccc(Br)c(F)c2F)C[C@H]1C(F)(F)F ZINC000877354936 662874140 /nfs/dbraw/zinc/87/41/40/662874140.db2.gz JOOGJDUXKJJPTI-POYBYMJQSA-N 1 0 387.146 2.937 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)c2cc(F)c(F)cc2Br)C[C@@H]1C(F)(F)F ZINC000877361496 662874628 /nfs/dbraw/zinc/87/46/28/662874628.db2.gz UROFZCIBYXZPKO-XPUUQOCRSA-N 1 0 387.146 2.937 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)CCc2cccc(Br)c2)C[C@@H]1C(F)(F)F ZINC000877367573 662874835 /nfs/dbraw/zinc/87/48/35/662874835.db2.gz PBGZRCSUKPTDAQ-AAEUAGOBSA-N 1 0 379.220 2.977 20 0 GFADRO Cc1ccc(-n2nc(Br)cc2C(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)cc1 ZINC000877375952 662875044 /nfs/dbraw/zinc/87/50/44/662875044.db2.gz JRLBPZFWGHFRMQ-SCLBCKFNSA-N 1 0 389.297 2.625 20 0 GFADRO O=C(N[C@@]12CCC[C@H]1[NH2+]CC2)c1ccc(-n2cc(Br)cn2)cc1 ZINC000877394270 662875365 /nfs/dbraw/zinc/87/53/65/662875365.db2.gz CVEVGJNIFJUDSP-NVXWUHKLSA-N 1 0 375.270 2.649 20 0 GFADRO O=C(N[C@]12CCC[C@H]1[NH2+]CC2)c1ccc(I)cc1Cl ZINC000877395279 662875371 /nfs/dbraw/zinc/87/53/71/662875371.db2.gz ZUMXVFHVRSUEFB-OCCSQVGLSA-N 1 0 390.652 2.959 20 0 GFADRO CCOc1c(Br)cc(C(=O)N[C@@]23CCC[C@H]2[NH2+]CC3)cc1OC ZINC000877396806 662875473 /nfs/dbraw/zinc/87/54/73/662875473.db2.gz AEYYBAUVDFGTKC-RHSMWYFYSA-N 1 0 383.286 2.871 20 0 GFADRO COC(=O)c1ccc(C[NH2+][C@H]2COc3ccccc3[C@H]2O)cc1Br ZINC000877538109 662878498 /nfs/dbraw/zinc/87/84/98/662878498.db2.gz VMBUEBVNRXAJMZ-DOTOQJQBSA-N 1 0 392.249 2.820 20 0 GFADRO COC(=O)c1ccc(C[NH2+]CC(C)(C)[C@@]2(O)CCOC2)cc1Br ZINC000877606466 662879852 /nfs/dbraw/zinc/87/98/52/662879852.db2.gz CAGLRVFKRDWBCB-QGZVFWFLSA-N 1 0 386.286 2.503 20 0 GFADRO COC(=O)c1ccc(C[N@@H+]2CC[C@@H](CN3CCCC3=O)C2)cc1Br ZINC000877638444 662880450 /nfs/dbraw/zinc/88/04/50/662880450.db2.gz GXYGEPKQSSZPRA-CQSZACIVSA-N 1 0 395.297 2.680 20 0 GFADRO COC(=O)c1ccc(C[NH2+]C2CCN([C@@H]3CCOC3)CC2)cc1Br ZINC000877636315 662880463 /nfs/dbraw/zinc/88/04/63/662880463.db2.gz SXNOATGXKOHNAP-OAHLLOKOSA-N 1 0 397.313 2.579 20 0 GFADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[N@@H+]1CC[C@@H](C(C)(C)O)C1 ZINC000877836003 662885012 /nfs/dbraw/zinc/88/50/12/662885012.db2.gz KVKHKOYCHSDMPU-TZMCWYRMSA-N 1 0 399.329 2.555 20 0 GFADRO O=C(C[N@H+]1CCCN(CCc2ccccc2Br)CC1)N1CCCC1 ZINC000877955685 662886898 /nfs/dbraw/zinc/88/68/98/662886898.db2.gz BVRFTNPUXKILMD-UHFFFAOYSA-N 1 0 394.357 2.622 20 0 GFADRO CC[C@H]([NH2+]C[C@H](O)c1cc(Br)no1)c1ccc2c(c1)OCCO2 ZINC000878356923 662894357 /nfs/dbraw/zinc/89/43/57/662894357.db2.gz YASMIKDYZBZHCL-RYUDHWBXSA-N 1 0 383.242 2.983 20 0 GFADRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)Cc2c(Br)cnn2C)C1 ZINC000878385643 662895018 /nfs/dbraw/zinc/89/50/18/662895018.db2.gz RHLMYWLPWZTVDZ-DZGCQCFKSA-N 1 0 391.313 2.677 20 0 GFADRO OC[C@H]([NH2+]C[C@H](O)C[C@@H](O)c1ccccc1)c1cccc(Br)c1 ZINC000878397991 662895385 /nfs/dbraw/zinc/89/53/85/662895385.db2.gz UJBQMAJMKIVWBY-FGTMMUONSA-N 1 0 380.282 2.557 20 0 GFADRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC[C@@H](O)c1cc(Br)no1 ZINC000878445421 662896675 /nfs/dbraw/zinc/89/66/75/662896675.db2.gz GPOOBPROSLOOSE-FVQBIDKESA-N 1 0 394.313 2.971 20 0 GFADRO C[C@](CO)([NH2+]C[C@H](O)CC1(CO)CCCC1)c1ccc(Br)cc1 ZINC000878603311 662899979 /nfs/dbraw/zinc/89/99/79/662899979.db2.gz XLAWUYOBPHVVAM-IAGOWNOFSA-N 1 0 386.330 2.550 20 0 GFADRO C[C@H]1CN(C[C@@H](O)c2cc(Br)no2)CC[N@H+](Cc2ccccc2)C1 ZINC000878682614 662902430 /nfs/dbraw/zinc/90/24/30/662902430.db2.gz POKCUPZULJZCBR-GDBMZVCRSA-N 1 0 394.313 2.924 20 0 GFADRO COCC[N@@H+]1CC[C@H](NC(=O)c2ccc(OC(F)F)c(Br)c2)C1 ZINC000878775160 662904868 /nfs/dbraw/zinc/90/48/68/662904868.db2.gz YMGXAGUIFIKYAI-NSHDSACASA-N 1 0 393.228 2.501 20 0 GFADRO O=C1O[C@@H](C[N@H+]2CC[C@@H](Oc3cncc(Br)c3)C2)CC12CCC2 ZINC000878875871 662908073 /nfs/dbraw/zinc/90/80/73/662908073.db2.gz OBRWSSYCKWEREQ-UKRRQHHQSA-N 1 0 381.270 2.783 20 0 GFADRO C[C@@H]1C[N@H+](CCCS(=O)(=O)C(C)(C)C)C[C@H]1CNC(=O)OC(C)(C)C ZINC000879215928 662920969 /nfs/dbraw/zinc/92/09/69/662920969.db2.gz ZLVOEDNGAAVBPV-HUUCEWRRSA-N 1 0 376.563 2.682 20 0 GFADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)c1ccc(OC(F)F)c(Cl)c1 ZINC000879520969 662928322 /nfs/dbraw/zinc/92/83/22/662928322.db2.gz KGVIVQCWVNEXMQ-GFCCVEGCSA-N 1 0 375.847 2.697 20 0 GFADRO C[C@H](NC(=O)Cc1c(Br)cnn1C)[C@@H](c1ccccc1)[NH+](C)C ZINC000879517593 662928325 /nfs/dbraw/zinc/92/83/25/662928325.db2.gz IDMFHUPNOKQYHQ-SJCJKPOMSA-N 1 0 379.302 2.533 20 0 GFADRO COc1ccc([C@H](C[NH+](C)C)NC(=O)Nc2cc(Br)nn2C)cc1 ZINC000879639466 662931595 /nfs/dbraw/zinc/93/15/95/662931595.db2.gz YBHJRNVXKXOPGE-ZDUSSCGKSA-N 1 0 396.289 2.616 20 0 GFADRO Cn1nc(Br)cc1NC(=O)NCc1ccc(CC[NH+](C)C)cc1 ZINC000879640295 662931759 /nfs/dbraw/zinc/93/17/59/662931759.db2.gz HIDVBAJBQHFESA-UHFFFAOYSA-N 1 0 380.290 2.608 20 0 GFADRO Cn1nc(Br)cc1NC(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000879641310 662932142 /nfs/dbraw/zinc/93/21/42/662932142.db2.gz UGWJJDCAIAVCNH-CQSZACIVSA-N 1 0 392.301 2.826 20 0 GFADRO C[C@]1(Cc2ccc(Cl)c(F)c2)CCC[N@@H+]1CC1(O)CCS(=O)(=O)CC1 ZINC000879646976 662934244 /nfs/dbraw/zinc/93/42/44/662934244.db2.gz YPCJEWULZURRCX-QGZVFWFLSA-N 1 0 389.920 2.816 20 0 GFADRO C[C@](O)(C[NH2+][C@@H]1CC=CC[C@H]1C(F)(F)F)c1ccc(S(C)(=O)=O)cc1 ZINC000879672573 662935918 /nfs/dbraw/zinc/93/59/18/662935918.db2.gz ZEUNQAAMMOZITM-OAGGEKHMSA-N 1 0 377.428 2.784 20 0 GFADRO C[C@H](NC(=O)CN1CC[C@@H]2[C@H]1CCC[N@@H+]2C)c1ccc(Br)cc1 ZINC000880129065 662952139 /nfs/dbraw/zinc/95/21/39/662952139.db2.gz CJHDOKLWVFQEFH-IAOVAPTHSA-N 1 0 380.330 2.795 20 0 GFADRO O=C(CC[N@@H+]1CCNC(=O)CC12CCC2)Nc1cccc(Br)c1 ZINC000880169232 662953464 /nfs/dbraw/zinc/95/34/64/662953464.db2.gz OXLWFVBMKKHWQL-UHFFFAOYSA-N 1 0 380.286 2.522 20 0 GFADRO CCOC(=O)c1sc(CC2CC[NH+](C[C@H](O)C(F)(F)F)CC2)nc1C ZINC000880264510 662956763 /nfs/dbraw/zinc/95/67/63/662956763.db2.gz AODGJHYNBCMTBN-LBPRGKRZSA-N 1 0 380.432 2.806 20 0 GFADRO CC1([NH+]2CCC2)CCN(Cc2cc(=O)n3cc(Br)ccc3n2)CC1 ZINC000880474116 662960582 /nfs/dbraw/zinc/96/05/82/662960582.db2.gz DCYNQBGGICRRAZ-UHFFFAOYSA-N 1 0 391.313 2.517 20 0 GFADRO CC(=O)c1ccc(Br)c(NC(=O)NC[C@@H]2CCCC[N@@H+]2CCO)c1 ZINC000880808150 662973859 /nfs/dbraw/zinc/97/38/59/662973859.db2.gz QIQNHXJWMLMBKA-AWEZNQCLSA-N 1 0 398.301 2.620 20 0 GFADRO O=C(Nc1cccc(F)c1Br)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000881140595 662983137 /nfs/dbraw/zinc/98/31/37/662983137.db2.gz FHYANXLBGFSNTI-UONOGXRCSA-N 1 0 386.265 2.651 20 0 GFADRO CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)N[C@@H](c2cccc(Cl)c2)C(F)F)C1 ZINC000881215510 662984924 /nfs/dbraw/zinc/98/49/24/662984924.db2.gz IKVYYHPGAJVWKM-KBPBESRZSA-N 1 0 375.847 2.791 20 0 GFADRO CC(C)c1n[nH]c(C(=O)N2CCC[C@H]([NH2+]C3CCOCC3)C2)c1Br ZINC000881471173 662995296 /nfs/dbraw/zinc/99/52/96/662995296.db2.gz AUOMXXKDGUJHQK-ZDUSSCGKSA-N 1 0 399.333 2.669 20 0 GFADRO COc1cc(Br)ccc1C(=O)N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000881472120 662995386 /nfs/dbraw/zinc/99/53/86/662995386.db2.gz NCNDYIZHPXYLPH-OAHLLOKOSA-N 1 0 397.313 2.831 20 0 GFADRO CN(CC1([NH+](C)C)CCC1)S(=O)(=O)c1cnc(Cl)cc1C(F)(F)F ZINC000882111007 663017138 /nfs/dbraw/zinc/01/71/38/663017138.db2.gz WXSITNXZEVKMEC-UHFFFAOYSA-N 1 0 385.839 2.859 20 0 GFADRO C[NH+](C)C[C@@H]1CCCCN1S(=O)(=O)c1cnc(Cl)cc1C(F)(F)F ZINC000882412995 663027003 /nfs/dbraw/zinc/02/70/03/663027003.db2.gz YVEVFJRDZUTMKV-JTQLQIEISA-N 1 0 385.839 2.859 20 0 GFADRO CCC1([NH+]2CCCCC2)CCN(S(=O)(=O)N=[S@@](C)(=O)C(C)(C)C)CC1 ZINC000882618340 663033452 /nfs/dbraw/zinc/03/34/52/663033452.db2.gz PUIHJEAYKDIQHY-DEOSSOPVSA-N 1 0 393.619 2.858 20 0 GFADRO CC1([NH+]2CCC2)CCN(S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)CC1 ZINC000882768581 663041343 /nfs/dbraw/zinc/04/13/43/663041343.db2.gz KABCRILKIWLHDT-UHFFFAOYSA-N 1 0 384.370 2.631 20 0 GFADRO CN1CCC[N@H+](CCCNCc2nc(Cl)ccc2Br)CC1 ZINC000882985123 663046024 /nfs/dbraw/zinc/04/60/24/663046024.db2.gz IHBZBRXYIYOZPT-UHFFFAOYSA-N 1 0 375.742 2.615 20 0 GFADRO O=S1(=O)CCC[C@H]1CC[NH2+][C@H](c1nc(Br)cs1)C1CC1 ZINC000883309546 663053374 /nfs/dbraw/zinc/05/33/74/663053374.db2.gz OTFQCEQKVIDDNB-JQWIXIFHSA-N 1 0 379.345 2.914 20 0 GFADRO O[C@@H](C[NH2+]Cc1c(Cl)cccc1N1CCOCC1)C(F)(F)C(F)(F)F ZINC000883367210 663054119 /nfs/dbraw/zinc/05/41/19/663054119.db2.gz KKKONRZYDWJHPU-ZDUSSCGKSA-N 1 0 388.764 2.825 20 0 GFADRO COc1cc(NC(=O)CN(CCC[NH3+])CC(F)(F)F)c(OC)cc1Cl ZINC000883443534 663055227 /nfs/dbraw/zinc/05/52/27/663055227.db2.gz VUVGOQGGZCOGJB-UHFFFAOYSA-N 1 0 383.798 2.509 20 0 GFADRO [NH3+]Cc1nc2c(s1)CCN(S(=O)(=O)c1c(Cl)cc(F)cc1Cl)C2 ZINC000883480394 663055875 /nfs/dbraw/zinc/05/58/75/663055875.db2.gz BBYPTTJRRRHGCB-UHFFFAOYSA-N 1 0 396.296 2.795 20 0 GFADRO [NH3+]Cc1nc2c(s1)CCN(S(=O)(=O)c1ccc(Cl)cc1Cl)C2 ZINC000883480891 663055935 /nfs/dbraw/zinc/05/59/35/663055935.db2.gz QHKZDBGFBVRRGC-UHFFFAOYSA-N 1 0 378.306 2.656 20 0 GFADRO [NH3+]Cc1nc2c(s1)CCN(C(=O)Nc1nc(C3CCOCC3)cs1)C2 ZINC000883563965 663057176 /nfs/dbraw/zinc/05/71/76/663057176.db2.gz DDMRFMSCHOHCEK-UHFFFAOYSA-N 1 0 379.511 2.543 20 0 GFADRO CCC1([NH3+])CCN(C(=O)C(=O)Nc2cc(Cl)ccc2Br)CC1 ZINC000883627485 663058410 /nfs/dbraw/zinc/05/84/10/663058410.db2.gz DEMGMIRHVWVIHT-UHFFFAOYSA-N 1 0 388.693 2.771 20 0 GFADRO C[NH2+]Cc1cccc(NC(=O)C(=O)NCCc2sccc2Br)c1 ZINC000883630656 663058484 /nfs/dbraw/zinc/05/84/84/663058484.db2.gz ZTTSIBBGKXITFF-UHFFFAOYSA-N 1 0 396.310 2.527 20 0 GFADRO COCCOc1ccc(CNC(=O)[C@@H]([NH3+])c2ccc(Br)cc2)cc1 ZINC000884082028 663064673 /nfs/dbraw/zinc/06/46/73/663064673.db2.gz RULOFNBJHIADQX-KRWDZBQOSA-N 1 0 393.281 2.791 20 0 GFADRO COCC[C@@H]([NH3+])C(=O)Nc1ncc(Cc2cccc(Br)c2)s1 ZINC000884105068 663065289 /nfs/dbraw/zinc/06/52/89/663065289.db2.gz CKAATUYKARVHLA-CYBMUJFWSA-N 1 0 384.299 2.799 20 0 GFADRO [NH3+][C@@H](C(=O)N1CCC(OC[C@@H]2CCCO2)CC1)c1ccc(Br)cc1 ZINC000884111066 663065322 /nfs/dbraw/zinc/06/53/22/663065322.db2.gz AVVPJEAQHWKRCR-DLBZAZTESA-N 1 0 397.313 2.636 20 0 GFADRO CCN(CC)C(=O)C1CCN(C(=O)[C@H]([NH3+])c2ccc(Br)cc2)CC1 ZINC000884109520 663065343 /nfs/dbraw/zinc/06/53/43/663065343.db2.gz JBBAYNFZADLQAW-MRXNPFEDSA-N 1 0 396.329 2.556 20 0 GFADRO Cc1ncc2c(n1)CCC[C@@H]2NC(=O)[C@H]([NH3+])c1ccc(Br)cc1 ZINC000884137084 663065762 /nfs/dbraw/zinc/06/57/62/663065762.db2.gz CVVFMKREAQTFLK-JKSUJKDBSA-N 1 0 375.270 2.741 20 0 GFADRO Cc1nn(C)c(C)c1C[C@H](C)NC(=O)[C@H]([NH3+])c1ccc(Br)cc1 ZINC000884155618 663066096 /nfs/dbraw/zinc/06/60/96/663066096.db2.gz GSPMLIRCBJMBKV-MGPLVRAMSA-N 1 0 379.302 2.547 20 0 GFADRO Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)[C@@H]([NH3+])c1ccc(Br)cc1 ZINC000884155617 663066141 /nfs/dbraw/zinc/06/61/41/663066141.db2.gz GSPMLIRCBJMBKV-HWPZZCPQSA-N 1 0 379.302 2.547 20 0 GFADRO O=C(COCCc1ccc(Br)cc1)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000884238412 663067379 /nfs/dbraw/zinc/06/73/79/663067379.db2.gz AKLFEEMZJAZMNE-GOSISDBHSA-N 1 0 395.341 2.999 20 0 GFADRO Cc1cc2scc(CC(=O)N3CCCC[C@@H]3CNC(=O)CC[NH3+])c2s1 ZINC000884273535 663067927 /nfs/dbraw/zinc/06/79/27/663067927.db2.gz RNHYHOMRZQATTB-CQSZACIVSA-N 1 0 379.551 2.660 20 0 GFADRO [NH3+][C@H](C(=O)N1CC[C@@H](OCc2ccncc2)C1)c1ccc(Br)cc1 ZINC000884334319 663069195 /nfs/dbraw/zinc/06/91/95/663069195.db2.gz MNUYZAVBRDUYHB-SJORKVTESA-N 1 0 390.281 2.662 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)N[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000884353976 663069489 /nfs/dbraw/zinc/06/94/89/663069489.db2.gz KAUCMUVVTLAFPG-DAXOMENPSA-N 1 0 384.567 2.593 20 0 GFADRO Cn1ncc(C2CCC2)c1CNC(=O)[C@H]([NH3+])c1ccc(Br)cc1 ZINC000884412668 663070350 /nfs/dbraw/zinc/07/03/50/663070350.db2.gz XPOFLKWMAZMOKE-MRXNPFEDSA-N 1 0 377.286 2.766 20 0 GFADRO COCC[C@H]([NH3+])C(=O)N[C@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC000884435526 663070769 /nfs/dbraw/zinc/07/07/69/663070769.db2.gz APXYUEACSXQCEJ-ZFWWWQNUSA-N 1 0 380.286 2.788 20 0 GFADRO C[NH+](C)CCn1nccc1C(=O)N1CCc2cc(Br)c(F)cc2C1 ZINC000884929158 663079038 /nfs/dbraw/zinc/07/90/38/663079038.db2.gz TWCVALQTYHXZCF-UHFFFAOYSA-N 1 0 395.276 2.545 20 0 GFADRO O=S(=O)(CCc1ccccc1Br)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000884956611 663079557 /nfs/dbraw/zinc/07/95/57/663079557.db2.gz CBNCCSHAJRYIMD-GJZGRUSLSA-N 1 0 387.343 2.538 20 0 GFADRO O=S(=O)(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1cccc(OC(F)(F)F)c1F ZINC000884956872 663079595 /nfs/dbraw/zinc/07/95/95/663079595.db2.gz HQDPITFPNSYCKV-MNOVXSKESA-N 1 0 382.379 2.629 20 0 GFADRO C[C@H](Oc1cccc(Br)c1)C(=O)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000885872436 663099665 /nfs/dbraw/zinc/09/96/65/663099665.db2.gz FYCOVWDGDYYKGI-XJKSGUPXSA-N 1 0 397.313 2.586 20 0 GFADRO Cc1nc(SC(F)F)sc1CC(=O)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000885883294 663100303 /nfs/dbraw/zinc/10/03/03/663100303.db2.gz QKCFBASDQHCWMD-LBPRGKRZSA-N 1 0 391.509 2.678 20 0 GFADRO O[C@@H](CNCc1cc(Br)c(Br)s1)C[NH+]1CCCC1 ZINC000885940347 663101759 /nfs/dbraw/zinc/10/17/59/663101759.db2.gz HDAWQLWQTPSEPV-VIFPVBQESA-N 1 0 398.164 2.819 20 0 GFADRO CCOc1cc(C[NH2+][C@H](CO)C[C@H]2CCCO2)cc(Br)c1OC ZINC000886232561 663105411 /nfs/dbraw/zinc/10/54/11/663105411.db2.gz YXUUTFHRJASHED-UONOGXRCSA-N 1 0 388.302 2.876 20 0 GFADRO O[C@@H]1CC[C@H]([NH2+]Cc2ccc(OC(F)F)c(Br)c2)CC[C@@H]1O ZINC000886260335 663106513 /nfs/dbraw/zinc/10/65/13/663106513.db2.gz UTZLIKIVBGACSQ-LMKPVCQUSA-N 1 0 380.229 2.805 20 0 GFADRO CN(C)S(=O)(=O)C1(C[NH2+]Cc2ccnc3c(Br)cccc23)CC1 ZINC000886320753 663108143 /nfs/dbraw/zinc/10/81/43/663108143.db2.gz DSUQPEFORIIMGA-UHFFFAOYSA-N 1 0 398.326 2.511 20 0 GFADRO COc1cc(C[NH2+]C[C@@H]2CC[C@@]3(CO[C@H](C)C3)O2)cc(Br)c1O ZINC000886336613 663108527 /nfs/dbraw/zinc/10/85/27/663108527.db2.gz UHJSJOWNPBQGBM-BTJLNZGRSA-N 1 0 386.286 2.980 20 0 GFADRO COc1cc(C[NH2+]C[C@@H]2CC[C@]3(CO[C@H](C)C3)O2)cc(Br)c1O ZINC000886336615 663108565 /nfs/dbraw/zinc/10/85/65/663108565.db2.gz UHJSJOWNPBQGBM-ZUCKAHLUSA-N 1 0 386.286 2.980 20 0 GFADRO COC[C@H]([NH2+][C@@H](C)c1ccc(S(=O)(=O)C(F)F)cc1)[C@@H]1CCCOC1 ZINC000886787573 663118731 /nfs/dbraw/zinc/11/87/31/663118731.db2.gz YGHNMKNWMQFWTJ-BJJXKVORSA-N 1 0 377.453 2.775 20 0 GFADRO CN(Cc1ccccc1Br)C(=O)C[N@@H+]1CC[C@@H]([C@H]2CCCO2)C1 ZINC000886839605 663121802 /nfs/dbraw/zinc/12/18/02/663121802.db2.gz IKCHMYIQWWPZCN-NVXWUHKLSA-N 1 0 381.314 2.908 20 0 GFADRO O=C(NC1(c2ncc(Br)cn2)CCC1)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000886842108 663122406 /nfs/dbraw/zinc/12/24/06/663122406.db2.gz IBOVJKBBUDTCTD-ZIAGYGMSSA-N 1 0 379.302 2.751 20 0 GFADRO CCCCCOc1ccc(S(=O)(=O)NC[C@H]2C[NH2+]CCC2(F)F)cc1 ZINC000886896212 663123980 /nfs/dbraw/zinc/12/39/80/663123980.db2.gz BKDURGYOEHQFGJ-CQSZACIVSA-N 1 0 376.469 2.779 20 0 GFADRO COC[C@H]([NH2+]CC(=O)N[C@H](C)c1ccc(Br)cc1)[C@@H]1CCCOC1 ZINC000886905990 663124445 /nfs/dbraw/zinc/12/44/45/663124445.db2.gz PWFJKFFYANPBOL-UNEWFSDZSA-N 1 0 399.329 2.658 20 0 GFADRO COC[C@H]([NH2+]CC(=O)N[C@@H](C)c1ccc(Br)cc1)[C@@H]1CCCOC1 ZINC000886905988 663124519 /nfs/dbraw/zinc/12/45/19/663124519.db2.gz PWFJKFFYANPBOL-LXZKKBNFSA-N 1 0 399.329 2.658 20 0 GFADRO COC[C@H]([NH2+]CC(=O)Nc1ccc(Br)c(C)c1)[C@@H]1CCCOC1 ZINC000886907875 663124521 /nfs/dbraw/zinc/12/45/21/663124521.db2.gz KTCGQHWQNHSHAF-CJNGLKHVSA-N 1 0 385.302 2.727 20 0 GFADRO COc1cc(NC(=O)NC[C@H]2C[NH2+]CCC2(F)F)ccc1Br ZINC000886935282 663125306 /nfs/dbraw/zinc/12/53/06/663125306.db2.gz FIFASLULXCPQNO-SECBINFHSA-N 1 0 378.217 2.824 20 0 GFADRO C[C@@H]1CN(C(=O)C(=O)Nc2cc(Br)c3ccccc3c2)CC[C@@H]1[NH3+] ZINC000886982505 663127090 /nfs/dbraw/zinc/12/70/90/663127090.db2.gz RJOSTWSCKJXSSH-BZNIZROVSA-N 1 0 390.281 2.737 20 0 GFADRO O=C(NC[C@@H]1CCC[NH2+]C1)C(=O)Nc1cc(Br)c2ccccc2c1 ZINC000886982151 663127098 /nfs/dbraw/zinc/12/70/98/663127098.db2.gz HDSCVCJGBLXZJL-GFCCVEGCSA-N 1 0 390.281 2.657 20 0 GFADRO CCN(C(=O)C(=O)Nc1ccc2cc(Br)ccc2c1)[C@H]1CC[NH2+]C1 ZINC000887001128 663128352 /nfs/dbraw/zinc/12/83/52/663128352.db2.gz QKOIOGWIFZJQOK-INIZCTEOSA-N 1 0 390.281 2.751 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S(=O)(=O)CC[NH2+]C1(C2CC2)CCC1 ZINC000887148787 663133659 /nfs/dbraw/zinc/13/36/59/663133659.db2.gz WFGPRMIEGBJRSG-UHFFFAOYSA-N 1 0 385.551 2.566 20 0 GFADRO COc1cccc([C@H]2C[NH2+]CCN2C(=O)c2ncc(Br)s2)c1 ZINC000887403760 663144280 /nfs/dbraw/zinc/14/42/80/663144280.db2.gz HSECTXBYWWWASQ-GFCCVEGCSA-N 1 0 382.283 2.701 20 0 GFADRO CC[NH+]1CCN(CCC(=O)NC[C@H](C)c2ccc(Br)cc2)CC1 ZINC000887408272 663145048 /nfs/dbraw/zinc/14/50/48/663145048.db2.gz GUALTUTUDGAWJN-HNNXBMFYSA-N 1 0 382.346 2.696 20 0 GFADRO [NH3+][C@@H]1CCCN(Cc2cn([C@H]3CCCc4ccc(Br)cc43)nn2)C1 ZINC000887446498 663146791 /nfs/dbraw/zinc/14/67/91/663146791.db2.gz CYOSJEBEJRXBCS-QAPCUYQASA-N 1 0 390.329 2.889 20 0 GFADRO C[N@@H+]1C[C@@H]2CN(C(=O)c3cnn(-c4cccc(Br)c4)c3)C[C@]2(C)C1 ZINC000887933568 663170600 /nfs/dbraw/zinc/17/06/00/663170600.db2.gz XGOJJDDRQGDEIF-KDOFPFPSSA-N 1 0 389.297 2.659 20 0 GFADRO CC[NH+]1CCN(CCC(=O)Nc2nc3ccc4scnc4c3s2)CC1 ZINC000888297834 663188383 /nfs/dbraw/zinc/18/83/83/663188383.db2.gz QKNTYTNLTJUOTC-UHFFFAOYSA-N 1 0 375.523 2.872 20 0 GFADRO Cc1cc(Cl)c(NC(=O)NC[C@@]2(O)CC[N@@H+](C)C2)cc1Br ZINC000888433971 663197831 /nfs/dbraw/zinc/19/78/31/663197831.db2.gz GHCCOSXLCOHGIP-AWEZNQCLSA-N 1 0 376.682 2.599 20 0 GFADRO O=C(Nc1nc2ccc(Cl)nc2s1)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000888795332 663217063 /nfs/dbraw/zinc/21/70/63/663217063.db2.gz GFFPGFJDYDXALS-LLVKDONJSA-N 1 0 381.889 2.720 20 0 GFADRO CN1CCN(C(=O)c2cc(Cl)c(F)cc2Br)CC[N@H+](C)CC1 ZINC000888982561 663228246 /nfs/dbraw/zinc/22/82/46/663228246.db2.gz WURTXVPJWYGVMJ-UHFFFAOYSA-N 1 0 392.700 2.561 20 0 GFADRO C[N@@H+]1CCN(C(=O)c2nn3c(c2Br)CCC3)C2(CCCCC2)C1 ZINC000889297731 663240126 /nfs/dbraw/zinc/24/01/26/663240126.db2.gz LZLRDLCLGMLGFN-UHFFFAOYSA-N 1 0 381.318 2.682 20 0 GFADRO O=C(Nc1nc2cc(F)c(Br)cc2[nH]1)C1C[NH+](C2CCOCC2)C1 ZINC000889646037 663253017 /nfs/dbraw/zinc/25/30/17/663253017.db2.gz CEPSETIBLOQHBD-UHFFFAOYSA-N 1 0 397.248 2.514 20 0 GFADRO CC(C)(C(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO)c1ccccc1Br ZINC000889755287 663263664 /nfs/dbraw/zinc/26/36/64/663263664.db2.gz HTOKWMRHEOXFJX-IAGOWNOFSA-N 1 0 395.341 2.784 20 0 GFADRO Cc1cc(C)c(Br)c(C(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)c1 ZINC000889760622 663264534 /nfs/dbraw/zinc/26/45/34/663264534.db2.gz HCYLOZBIGHDLDT-JKSUJKDBSA-N 1 0 381.314 2.737 20 0 GFADRO CC(C)[NH+]1CCC(NC(=O)C(=O)Nc2cccc(F)c2Br)CC1 ZINC000889765136 663264964 /nfs/dbraw/zinc/26/49/64/663264964.db2.gz ZRKZGBTZYPNVJI-UHFFFAOYSA-N 1 0 386.265 2.516 20 0 GFADRO Cn1cc(C(=O)NC[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)c(Br)n1 ZINC000890040109 663282077 /nfs/dbraw/zinc/28/20/77/663282077.db2.gz VLDUVXKMQVAXMG-INIZCTEOSA-N 1 0 391.313 2.823 20 0 GFADRO C[NH+](C)C1CCC(NC(=O)C(=O)Nc2cccc(F)c2Br)CC1 ZINC000890336834 663296253 /nfs/dbraw/zinc/29/62/53/663296253.db2.gz VQIHEYZRYFKAQA-UHFFFAOYSA-N 1 0 386.265 2.516 20 0 GFADRO CN(CCC[NH+](C)C)C(=O)NCc1ccn(-c2ccc(Br)cc2)n1 ZINC000890973143 663319799 /nfs/dbraw/zinc/31/97/99/663319799.db2.gz VWDVACWIMFYHNS-UHFFFAOYSA-N 1 0 394.317 2.728 20 0 GFADRO COc1ccc(C[N@@H+]2CCCN(Cc3nc(Br)c[nH]3)CC2)cc1 ZINC000891437247 663339530 /nfs/dbraw/zinc/33/95/30/663339530.db2.gz UYJDDVZMJGBEGC-UHFFFAOYSA-N 1 0 379.302 2.889 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)NCc2sccc2Br)C[C@@H]1C(F)(F)F ZINC000891462654 663340294 /nfs/dbraw/zinc/34/02/94/663340294.db2.gz VXDOAVKJUHMJIV-SFYZADRCSA-N 1 0 386.237 2.789 20 0 GFADRO CSCc1cc(F)ccc1CNC(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000891666010 663346754 /nfs/dbraw/zinc/34/67/54/663346754.db2.gz YAKORSHWWQHYAG-OCCSQVGLSA-N 1 0 379.423 2.967 20 0 GFADRO C[C@H](NC(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1)c1ccc(Br)cn1 ZINC000891869092 663353582 /nfs/dbraw/zinc/35/35/82/663353582.db2.gz UQKCNRNMBZXJDT-QXEWZRGKSA-N 1 0 395.223 2.684 20 0 GFADRO COc1cc(CCNC(=O)N2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)ccc1Cl ZINC000891921793 663355616 /nfs/dbraw/zinc/35/56/16/663355616.db2.gz VVTZNCOYBDFZRZ-NWDGAFQWSA-N 1 0 379.810 2.670 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)NCc2ccn(-c3ccc(Br)cc3)n2)CC[NH2+]1 ZINC000892094693 663361351 /nfs/dbraw/zinc/36/13/51/663361351.db2.gz BQHLLUUOKLWTKY-TZMCWYRMSA-N 1 0 392.301 2.575 20 0 GFADRO CC(C)(C[NH+]1CCN(C(C)(C)C(N)=O)CC1)c1ccc(Br)cc1 ZINC000892122904 663362565 /nfs/dbraw/zinc/36/25/65/663362565.db2.gz DCBGDGPMWATETG-UHFFFAOYSA-N 1 0 382.346 2.608 20 0 GFADRO O=C(NCc1ncc(Br)s1)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000892251280 663367131 /nfs/dbraw/zinc/36/71/31/663367131.db2.gz BMBQEDANRHBTID-CHWSQXEVSA-N 1 0 395.326 2.851 20 0 GFADRO O=C(N[C@@H]1CC12CC[NH2+]CC2)N[C@@H]1[C@@H]2Cc3ccc(Br)cc3[C@@H]21 ZINC000892266291 663367769 /nfs/dbraw/zinc/36/77/69/663367769.db2.gz AEXVGFDTGWCABX-LVQVYYBASA-N 1 0 376.298 2.529 20 0 GFADRO NC(=O)[C@H]1CCC[N@H+](CCCNc2nc3cc(Br)ccc3o2)C1 ZINC000892273261 663367948 /nfs/dbraw/zinc/36/79/48/663367948.db2.gz MKWANUSWRXNIKO-NSHDSACASA-N 1 0 381.274 2.590 20 0 GFADRO O=C(N[C@@H]1[C@H]2Cc3c(cccc3Br)[C@@H]12)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000892323833 663369370 /nfs/dbraw/zinc/36/93/70/663369370.db2.gz YBEKPAKUVMZGTR-ZCFNDQFVSA-N 1 0 376.298 2.623 20 0 GFADRO Brc1ccc(N2CCC([NH2+]CCOc3ccccc3)CC2)nn1 ZINC000892611492 663378587 /nfs/dbraw/zinc/37/85/87/663378587.db2.gz XMBLPFSSXXTJGY-UHFFFAOYSA-N 1 0 377.286 2.877 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)NCc2ccc(Br)cn2)CC[C@H]1C(F)(F)F ZINC000892617068 663378774 /nfs/dbraw/zinc/37/87/74/663378774.db2.gz SMWSTBMYRQHEPV-BXKDBHETSA-N 1 0 395.223 2.513 20 0 GFADRO CCOC(=O)c1ncc(Br)c(N2CCC[C@@H]([NH+]3CCCC3)CC2)n1 ZINC000892618799 663378977 /nfs/dbraw/zinc/37/89/77/663378977.db2.gz NHSOJDVXBSLVSM-CYBMUJFWSA-N 1 0 397.317 2.871 20 0 GFADRO [NH3+]CCCN(Cc1ccccc1)C(=O)NCc1ccc(Br)cn1 ZINC000892620108 663379034 /nfs/dbraw/zinc/37/90/34/663379034.db2.gz YSFXWMYWJGYBEC-UHFFFAOYSA-N 1 0 377.286 2.905 20 0 GFADRO CCOC(=O)c1ncc(Br)c(N2CC[C@@H](C[NH+]3CCCCC3)C2)n1 ZINC000892686908 663381575 /nfs/dbraw/zinc/38/15/75/663381575.db2.gz DQQMAJQDCFLUJH-ZDUSSCGKSA-N 1 0 397.317 2.728 20 0 GFADRO CC(=O)c1cc(Br)ccc1OCC(=O)N[C@@]1(C)C[NH+]2CCC1CC2 ZINC000892769446 663384175 /nfs/dbraw/zinc/38/41/75/663384175.db2.gz LCLOMROQUNDLBD-SFHVURJKSA-N 1 0 395.297 2.631 20 0 GFADRO C[C@@]1(NC(=O)c2cc(F)ccc2I)C[NH+]2CCC1CC2 ZINC000892785868 663384836 /nfs/dbraw/zinc/38/48/36/663384836.db2.gz QPRKRKIURHDNLQ-OAHLLOKOSA-N 1 0 388.224 2.644 20 0 GFADRO Cn1cc(C[NH2+]CCCNC(=O)c2cccc(Br)c2)c(C2CC2)n1 ZINC000892787110 663384882 /nfs/dbraw/zinc/38/48/82/663384882.db2.gz VNZKNELUAJEAMP-UHFFFAOYSA-N 1 0 391.313 2.970 20 0 GFADRO C[C@H]1CCC[C@@H](CC[NH+](C)C)N1C(=O)c1nn2c(c1Br)CCC2 ZINC000893006985 663392969 /nfs/dbraw/zinc/39/29/69/663392969.db2.gz HGDVPBACLWQYCM-STQMWFEESA-N 1 0 383.334 2.927 20 0 GFADRO CC(=O)Nc1cc(Br)ccc1C[NH2+]CCCOC[C@H]1CCOC1 ZINC000893036883 663394003 /nfs/dbraw/zinc/39/40/03/663394003.db2.gz FKCJSSWCOZXVTP-CQSZACIVSA-N 1 0 385.302 2.940 20 0 GFADRO CC1(O)CCC([NH2+]CCc2ccc(S(=O)(=O)N3CCCCC3)s2)CC1 ZINC000893085529 663396095 /nfs/dbraw/zinc/39/60/95/663396095.db2.gz GJWIPZVELUEEPX-UHFFFAOYSA-N 1 0 386.583 2.748 20 0 GFADRO O=C(NCc1ncc(Br)cn1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000893394266 663409173 /nfs/dbraw/zinc/40/91/73/663409173.db2.gz IUEKMXPKQLSCMP-UHFFFAOYSA-N 1 0 396.333 2.835 20 0 GFADRO C[C@@H]1CN(C(=O)c2nc(F)ccc2Br)CCN1c1cc[nH+]cc1 ZINC000893446975 663411819 /nfs/dbraw/zinc/41/18/19/663411819.db2.gz OLNIWPMLGTZFQQ-LLVKDONJSA-N 1 0 379.233 2.729 20 0 GFADRO C[C@H]([NH2+]C[C@@H](c1cccc(C(F)(F)F)c1)N(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000893646370 663418787 /nfs/dbraw/zinc/41/87/87/663418787.db2.gz JFRGKECBABHXNX-NOLJZWGESA-N 1 0 378.460 2.721 20 0 GFADRO CN(Cc1nc(Br)nn1C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000894021309 663438055 /nfs/dbraw/zinc/43/80/55/663438055.db2.gz MBWBOZFUNMDJQK-HNNXBMFYSA-N 1 0 378.318 2.532 20 0 GFADRO Cn1ncc(I)c1CN1CCC(CCC[NH+](C)C)CC1 ZINC000894058134 663440056 /nfs/dbraw/zinc/44/00/56/663440056.db2.gz RLSGKCUYRHAWPM-UHFFFAOYSA-N 1 0 390.313 2.579 20 0 GFADRO C[C@H]([NH2+][C@H](CO)c1ccc(Cl)cc1C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 ZINC000894181869 663447209 /nfs/dbraw/zinc/44/72/09/663447209.db2.gz AMDVFMQJFZNKDN-IMSIIYSGSA-N 1 0 385.835 2.805 20 0 GFADRO FC(F)(F)CN1CC[C@H](C[NH2+]Cc2sc(N3CCOCC3)nc2Cl)C1 ZINC000894189769 663447662 /nfs/dbraw/zinc/44/76/62/663447662.db2.gz DPCRLJBFVSVULQ-LLVKDONJSA-N 1 0 398.882 2.607 20 0 GFADRO Cn1cc(C[NH2+]C[C@H]2CCCO[C@@H]2C(C)(C)C)c(I)n1 ZINC000894260823 663451303 /nfs/dbraw/zinc/45/13/03/663451303.db2.gz OSAHQHPUWLQALW-YPMHNXCESA-N 1 0 391.297 2.956 20 0 GFADRO C[C@H](c1ccccc1)[NH+]1CCC(NCc2nc(Br)nn2C)CC1 ZINC000894261322 663451410 /nfs/dbraw/zinc/45/14/10/663451410.db2.gz RHSRVOYRYFOSAT-CYBMUJFWSA-N 1 0 378.318 2.893 20 0 GFADRO Cn1ncc(I)c1C[NH2+]CCc1cc(F)ccc1F ZINC000894325156 663454651 /nfs/dbraw/zinc/45/46/51/663454651.db2.gz NZHAPNRXTLRNRA-UHFFFAOYSA-N 1 0 377.176 2.635 20 0 GFADRO Cn1cc(CNC2CC[NH+](C3CCCC3)CC2)c(I)n1 ZINC000894326645 663455114 /nfs/dbraw/zinc/45/51/14/663455114.db2.gz QDPBDRWZXLJDTJ-UHFFFAOYSA-N 1 0 388.297 2.521 20 0 GFADRO Cn1cc(C[NH2+]C[C@H]2[C@@H]3c4ccccc4C[C@H]23)c(I)n1 ZINC000894337660 663455730 /nfs/dbraw/zinc/45/57/30/663455730.db2.gz WGKYGMOLCZERMX-RBSFLKMASA-N 1 0 379.245 2.700 20 0 GFADRO Cn1nc(Br)nc1C[NH2+][C@@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1 ZINC000894362678 663457833 /nfs/dbraw/zinc/45/78/33/663457833.db2.gz XVUXMFRYPZXWES-TZMCWYRMSA-N 1 0 384.709 2.766 20 0 GFADRO C[C@@H](C[C@@H](O)c1ccccc1)[NH2+]Cc1c(I)cnn1C ZINC000894366986 663458420 /nfs/dbraw/zinc/45/84/20/663458420.db2.gz IWATYOUKCBUWBW-XHDPSFHLSA-N 1 0 385.249 2.627 20 0 GFADRO Cc1cccc(C[N@@H+]2CCC[C@H]2C[C@]2(C)NC(=O)NC2=O)c1Br ZINC000894417522 663460268 /nfs/dbraw/zinc/46/02/68/663460268.db2.gz PEXWTXRLBNXPEP-GUYCJALGSA-N 1 0 380.286 2.710 20 0 GFADRO CC(C)(C)OC(=O)Nc1ccc(C[NH2+]CCn2cc(Br)cn2)nn1 ZINC000894426070 663461075 /nfs/dbraw/zinc/46/10/75/663461075.db2.gz BPVPTFZTNKOFEX-UHFFFAOYSA-N 1 0 397.277 2.572 20 0 GFADRO Cc1cnc([C@H](C)C[NH2+]Cc2c(I)cnn2C)s1 ZINC000894460198 663463194 /nfs/dbraw/zinc/46/31/94/663463194.db2.gz IOCWRUGKGZZNQC-MRVPVSSYSA-N 1 0 376.267 2.683 20 0 GFADRO Oc1ccc2c(c1)CC[C@H]([NH2+]Cc1sc(N3CCOCC3)nc1Cl)C2 ZINC000894572420 663469562 /nfs/dbraw/zinc/46/95/62/663469562.db2.gz HYGXREGJZOQKAM-AWEZNQCLSA-N 1 0 379.913 2.986 20 0 GFADRO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)N[C@H]2CCOc3c(Br)cccc32)C1 ZINC000894622666 663472727 /nfs/dbraw/zinc/47/27/27/663472727.db2.gz LBLXEHRCIMRGTJ-CQDKDKBSSA-N 1 0 380.286 2.618 20 0 GFADRO Clc1nc(N2CCOCC2)sc1C[NH2+]CCc1ccc2c[nH]nc2c1 ZINC000894691515 663476619 /nfs/dbraw/zinc/47/66/19/663476619.db2.gz WOFPVEAHQWYZTL-UHFFFAOYSA-N 1 0 377.901 2.842 20 0 GFADRO COCCCC1(C[NH2+]Cc2nn(C)cc2I)CCC1 ZINC000894753534 663479651 /nfs/dbraw/zinc/47/96/51/663479651.db2.gz JLJNEWPRYQJALE-UHFFFAOYSA-N 1 0 377.270 2.711 20 0 GFADRO Cc1ccc([C@@H](O)[C@@H](C)[NH2+]Cc2cn(C)nc2I)cc1 ZINC000894747295 663479106 /nfs/dbraw/zinc/47/91/06/663479106.db2.gz GGEULIYWALGLCI-RISCZKNCSA-N 1 0 385.249 2.545 20 0 GFADRO COc1cccc(C2(C[NH2+]Cc3c(I)cnn3C)CC2)c1 ZINC000894790532 663482007 /nfs/dbraw/zinc/48/20/07/663482007.db2.gz SIAIGXWGCPSELG-UHFFFAOYSA-N 1 0 397.260 2.855 20 0 GFADRO CC(C)(C)OC(=O)NC[C@@H]1C[N@H+](C[C@@H]2C[C@@]2(C)Br)CCCO1 ZINC000894815943 663482727 /nfs/dbraw/zinc/48/27/27/663482727.db2.gz BNSUASJKPKLMHS-WOSRLPQWSA-N 1 0 377.323 2.776 20 0 GFADRO CCOC(=O)c1ncc(Br)c(N2CCC(C)([NH+]3CCCC3)CC2)n1 ZINC000894904019 663487610 /nfs/dbraw/zinc/48/76/10/663487610.db2.gz OQMSUVGYJJXPEV-UHFFFAOYSA-N 1 0 397.317 2.871 20 0 GFADRO O=S1CCC([NH2+]C2CCN(Cc3cccc(Br)c3)CC2)CC1 ZINC000894948026 663491074 /nfs/dbraw/zinc/49/10/74/663491074.db2.gz JIRAWEAPPJNQHE-UHFFFAOYSA-N 1 0 385.371 2.914 20 0 GFADRO COC(=O)c1ccc2c(c1)[C@H](C[NH2+]Cc1nc(Br)nn1C)CCC2 ZINC000895251617 663505319 /nfs/dbraw/zinc/50/53/19/663505319.db2.gz UKOMUQLDZBNOPV-ZDUSSCGKSA-N 1 0 393.285 2.574 20 0 GFADRO C[C@@H](CCCOc1ccccc1C(N)=O)[NH2+]Cc1cnc(Br)cn1 ZINC000895408447 663512580 /nfs/dbraw/zinc/51/25/80/663512580.db2.gz VCFZEMIMEZXLPD-LBPRGKRZSA-N 1 0 393.285 2.675 20 0 GFADRO COc1ccc(Br)cc1CN(C)C(=O)C1C[NH+](C2CCOCC2)C1 ZINC000895445763 663514453 /nfs/dbraw/zinc/51/44/53/663514453.db2.gz WRSJDRNQMBRILK-UHFFFAOYSA-N 1 0 397.313 2.527 20 0 GFADRO Cn1cc(C[NH2+]C2([C@@H]3CCCCO3)CCC2)c(I)n1 ZINC000895467379 663515803 /nfs/dbraw/zinc/51/58/03/663515803.db2.gz LEPLSHOJBQBSQJ-LBPRGKRZSA-N 1 0 375.254 2.606 20 0 GFADRO CC[N@H+](C)Cc1cccc(CNC(=O)c2nn3c(c2Br)CCC3)c1 ZINC000895844248 663530132 /nfs/dbraw/zinc/53/01/32/663530132.db2.gz PPNAHZWPUHKKPO-UHFFFAOYSA-N 1 0 391.313 2.974 20 0 GFADRO COC[C@@H]([NH2+]Cc1ccc(C(=O)OC)c(Br)c1)[C@@H]1CCCOC1 ZINC000895858490 663530644 /nfs/dbraw/zinc/53/06/44/663530644.db2.gz JPJBJVJJHBCKAB-CZUORRHYSA-N 1 0 386.286 2.767 20 0 GFADRO O=C(NC[C@](O)(c1ccc(Cl)cc1)C(F)(F)F)[C@@]12CC[N@H+](C1)CCC2 ZINC000896010819 663537222 /nfs/dbraw/zinc/53/72/22/663537222.db2.gz RYUGLHGJKOPHQJ-HOTGVXAUSA-N 1 0 376.806 2.692 20 0 GFADRO CC(C)[NH+]1CCC(CCNC(=O)NCc2ncc(Br)cn2)CC1 ZINC000896122251 663541751 /nfs/dbraw/zinc/54/17/51/663541751.db2.gz RAUQPHBUPOSWCM-UHFFFAOYSA-N 1 0 384.322 2.549 20 0 GFADRO Cn1nc(C(F)(F)F)c(C[NH2+]CC2CCC(S(C)(=O)=O)CC2)c1Cl ZINC000896256500 663547257 /nfs/dbraw/zinc/54/72/57/663547257.db2.gz UNSCYBPISJQZGA-UHFFFAOYSA-N 1 0 387.855 2.785 20 0 GFADRO O=C(NCC1(c2cccc(Br)c2)CC1)C1C[NH+](C2CCOCC2)C1 ZINC000896389135 663554687 /nfs/dbraw/zinc/55/46/87/663554687.db2.gz UKMWCNLYFMWAGV-UHFFFAOYSA-N 1 0 393.325 2.708 20 0 GFADRO CSc1cc(C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCN2C)ccc1Br ZINC000896526664 663560995 /nfs/dbraw/zinc/56/09/95/663560995.db2.gz JNNVPLHVEBMWTJ-RISCZKNCSA-N 1 0 386.359 2.535 20 0 GFADRO O=c1[nH]c(NC[C@H]2CC[N@@H+]2C2CCOCC2)nc2ccc(Br)cc21 ZINC000896528383 663561036 /nfs/dbraw/zinc/56/10/36/663561036.db2.gz VHAWADYMEDAZGN-CYBMUJFWSA-N 1 0 393.285 2.763 20 0 GFADRO Cc1cc(C)c(C(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCN2C)c(C)c1Br ZINC000896529476 663561148 /nfs/dbraw/zinc/56/11/48/663561148.db2.gz ZYHVLNMNIXQCLR-LSDHHAIUSA-N 1 0 382.346 2.738 20 0 GFADRO C[C@@H](NC(=O)c1cnc(-c2cccc(Cl)c2)s1)[C@H]1C[N@H+](C)CCN1C ZINC000896534927 663562277 /nfs/dbraw/zinc/56/22/77/663562277.db2.gz XDFHNZPUESAWTL-IUODEOHRSA-N 1 0 378.929 2.828 20 0 GFADRO C[C@@H](NC(=O)c1cc(F)c(Br)cc1Cl)[C@@H]1C[N@H+](C)CCN1C ZINC000896541876 663562441 /nfs/dbraw/zinc/56/24/41/663562441.db2.gz JBLREPYFBAHHAH-OTYXRUKQSA-N 1 0 392.700 2.606 20 0 GFADRO C[C@H](C[NH2+]C[C@@H]1CCCN1CC(F)(F)F)c1ccc(S(C)(=O)=O)cc1 ZINC000896838166 663578875 /nfs/dbraw/zinc/57/88/75/663578875.db2.gz CGIVZRMQPCLSGL-HIFRSBDPSA-N 1 0 378.460 2.810 20 0 GFADRO O=C(NC1CC[NH+](C2CCCC2)CC1)c1nn2c(c1Br)CCC2 ZINC000896843618 663579158 /nfs/dbraw/zinc/57/91/58/663579158.db2.gz VCPZWPPSODACJZ-UHFFFAOYSA-N 1 0 381.318 2.729 20 0 GFADRO O=C1C[C@H](CC[NH2+]Cc2cc(Br)ccc2Br)CN1 ZINC000896893994 663580969 /nfs/dbraw/zinc/58/09/69/663580969.db2.gz DIIHKIOBFOOKFO-VIFPVBQESA-N 1 0 376.092 2.827 20 0 GFADRO CC(C)(C)OC(=O)N[C@]1(CO)CCC[N@H+](C[C@@H]2C[C@@]2(C)Br)C1 ZINC000896980748 663583582 /nfs/dbraw/zinc/58/35/82/663583582.db2.gz UXJJKTCQJPHGSO-APHBMKBZSA-N 1 0 377.323 2.512 20 0 GFADRO O[C@@]1(c2ccc(Br)cc2)CCC[N@H+](Cc2cnc3n2CCOC3)C1 ZINC000897033572 663587743 /nfs/dbraw/zinc/58/77/43/663587743.db2.gz CMCMMNYAQILWKS-SFHVURJKSA-N 1 0 392.297 2.659 20 0 GFADRO OCC[N@@H+]1CCC[C@H]2[C@H]1CCN2c1nnc(Cc2ccc(Cl)cc2)s1 ZINC000897222631 663595402 /nfs/dbraw/zinc/59/54/02/663595402.db2.gz WKLGSTXILFMCPP-CVEARBPZSA-N 1 0 378.929 2.818 20 0 GFADRO Cc1[nH]nc(I)c1C(=O)Nc1ccccc1CC[NH+](C)C ZINC000897505558 663607756 /nfs/dbraw/zinc/60/77/56/663607756.db2.gz WDKLOYXHDODAKE-UHFFFAOYSA-N 1 0 398.248 2.679 20 0 GFADRO C[C@@H](NC(=O)C1C[NH+]([C@@H]2CCOC2)C1)c1ccc(C(F)(F)F)nc1Cl ZINC000897844308 663622141 /nfs/dbraw/zinc/62/21/41/663622141.db2.gz IIFBRPFRJLQRIR-MWLCHTKSSA-N 1 0 377.794 2.652 20 0 GFADRO CO[C@@H](C[NH2+][C@H]1Cc2cc(Br)cnc2NC1=O)Cc1ccccc1 ZINC000897977419 663628023 /nfs/dbraw/zinc/62/80/23/663628023.db2.gz FYLFRNNPSYQAGE-CVEARBPZSA-N 1 0 390.281 2.555 20 0 GFADRO COC(=O)c1ccc(C[NH2+][C@@](C)(CO)c2cccc(Br)c2)n1C ZINC000898168311 663636651 /nfs/dbraw/zinc/63/66/51/663636651.db2.gz AHXYSSGQUAHWIX-KRWDZBQOSA-N 1 0 381.270 2.572 20 0 GFADRO CCC[NH+]1CCC(N[C@@H](CO)c2ccccc2I)CC1 ZINC000898511754 663653566 /nfs/dbraw/zinc/65/35/66/663653566.db2.gz FOEOFJBWILQABE-INIZCTEOSA-N 1 0 388.293 2.789 20 0 GFADRO OC[C@H](N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccccc1I ZINC000898513056 663654325 /nfs/dbraw/zinc/65/43/25/663654325.db2.gz PKUZIONQSQKZRN-WWGRRREGSA-N 1 0 386.277 2.541 20 0 GFADRO O=C(NC1CC[NH+](C2CCOCC2)CC1)c1ccc(F)cc1Br ZINC000898626317 663658404 /nfs/dbraw/zinc/65/84/04/663658404.db2.gz LDYAIJILVLFLIF-UHFFFAOYSA-N 1 0 385.277 2.961 20 0 GFADRO COc1cc(OC)c(C[NH2+][C@@H]2CCc3ncc(Br)n3C2)cc1F ZINC000898719274 663660237 /nfs/dbraw/zinc/66/02/37/663660237.db2.gz DFCAKGAJHVKIDJ-LLVKDONJSA-N 1 0 384.249 2.907 20 0 GFADRO CC(C)(C)OC(=O)N[C@H]1C[C@@H](C[NH2+][C@H]2CCc3ncc(Br)n3C2)C1 ZINC000898719464 663660329 /nfs/dbraw/zinc/66/03/29/663660329.db2.gz FXCGUGLLFDQURA-RWMBFGLXSA-N 1 0 399.333 2.853 20 0 GFADRO CCOC(=O)c1cc(C[NH2+][C@@H]2CCc3ncc(Br)n3C2)[nH]c1C ZINC000898720657 663660536 /nfs/dbraw/zinc/66/05/36/663660536.db2.gz NEYJMWYXRMCLKE-LLVKDONJSA-N 1 0 381.274 2.563 20 0 GFADRO CCOC(=O)c1cc(C[NH2+][C@H]2CCc3ncc(Br)n3C2)[nH]c1C ZINC000898720658 663660562 /nfs/dbraw/zinc/66/05/62/663660562.db2.gz NEYJMWYXRMCLKE-NSHDSACASA-N 1 0 381.274 2.563 20 0 GFADRO C[C@H](CC(=O)Nc1ccccc1)[NH2+][C@@H]1CCc2ncc(Br)n2C1 ZINC000898723702 663661122 /nfs/dbraw/zinc/66/11/22/663661122.db2.gz HPEXNOFBRSTALD-TZMCWYRMSA-N 1 0 377.286 2.967 20 0 GFADRO COCCN(CC[NH+](C)C)C(=S)Nc1ccccc1OCC(F)(F)F ZINC000899466849 663689518 /nfs/dbraw/zinc/68/95/18/663689518.db2.gz OMSHSAWKIGJFIA-UHFFFAOYSA-N 1 0 379.448 2.835 20 0 GFADRO OCC[N@@H+]1CCC[C@H]2[C@H]1CCN2C(=S)Nc1cccc(Br)c1 ZINC000899664206 663697738 /nfs/dbraw/zinc/69/77/38/663697738.db2.gz HYSKNTOVRNPXBY-CABCVRRESA-N 1 0 384.343 2.677 20 0 GFADRO C[NH+]1CCC(NCc2cn(-c3ccc(Br)cc3Cl)nn2)CC1 ZINC000899694714 663698610 /nfs/dbraw/zinc/69/86/10/663698610.db2.gz LCEYIXKQSRROGK-UHFFFAOYSA-N 1 0 384.709 2.867 20 0 GFADRO [NH3+]C1(c2noc(C[C@@H]3C(=O)Nc4c3cccc4Br)n2)CCCC1 ZINC000900005314 663706375 /nfs/dbraw/zinc/70/63/75/663706375.db2.gz FOTBVGZLRPCNDL-JTQLQIEISA-N 1 0 377.242 2.839 20 0 GFADRO Cc1ccc(F)c(Br)c1C(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000900187712 663709376 /nfs/dbraw/zinc/70/93/76/663709376.db2.gz KYLQQWFJIIALOL-UHFFFAOYSA-N 1 0 386.309 2.654 20 0 GFADRO C[N@@H+]1CCC[C@](O)(CC(=O)N2CCC[C@H]2c2ccc(Br)cc2)C1 ZINC000900292580 663711842 /nfs/dbraw/zinc/71/18/42/663711842.db2.gz CCGOGKQDXHOJLM-WMZOPIPTSA-N 1 0 381.314 2.959 20 0 GFADRO CC(C)[N@H+](C)Cc1cccc(CNC(=O)c2cn(C)nc2Br)c1 ZINC000900651789 663718832 /nfs/dbraw/zinc/71/88/32/663718832.db2.gz JVMBKSCJEBDVBZ-UHFFFAOYSA-N 1 0 379.302 2.953 20 0 GFADRO C[C@H](NC(=O)C(C)(C)Cc1ccc(Br)cc1)[C@H]1C[N@H+](C)CCN1C ZINC000900806212 663721855 /nfs/dbraw/zinc/72/18/55/663721855.db2.gz SLKARGXVMVRXAK-WMLDXEAASA-N 1 0 396.373 2.768 20 0 GFADRO CCO[C@H](CC[NH+](C)C)CNC(=O)Cc1c[nH]c2ccc(Br)cc12 ZINC000900993628 663728523 /nfs/dbraw/zinc/72/85/23/663728523.db2.gz KEZDISJFOLZZEH-OAHLLOKOSA-N 1 0 396.329 2.946 20 0 GFADRO O=C(NCc1ccc(O)c(Br)c1)C1CCC([NH+]2CCOCC2)CC1 ZINC000901133434 663730885 /nfs/dbraw/zinc/73/08/85/663730885.db2.gz MRKOOXPSWAXOLI-UHFFFAOYSA-N 1 0 397.313 2.662 20 0 GFADRO C[C@@H](NC(=O)CN1CSCCSC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000901359352 663734603 /nfs/dbraw/zinc/73/46/03/663734603.db2.gz DWOXUFSZWGZDCI-AEFFLSMTSA-N 1 0 379.595 2.710 20 0 GFADRO C[C@@H]([NH2+][C@@H]1CCc2ncc(Br)n2C1)C(=O)NC1CCC(C)CC1 ZINC000901726851 663743535 /nfs/dbraw/zinc/74/35/35/663743535.db2.gz BYMRPBMCXOZXKU-FKZOYECMSA-N 1 0 383.334 2.633 20 0 GFADRO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@H]1N2C(=O)c1ncc(Br)cn1 ZINC000901770344 663745455 /nfs/dbraw/zinc/74/54/55/663745455.db2.gz UBEGHSURFFSNRM-GDBMZVCRSA-N 1 0 387.281 2.996 20 0 GFADRO O=c1cc(Br)ccn1C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000902581391 663763885 /nfs/dbraw/zinc/76/38/85/663763885.db2.gz ALXAUUPMFDGMGQ-KRWDZBQOSA-N 1 0 377.282 2.902 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)c1nnc(-c2ccns2)o1)c1ccc(Cl)cc1 ZINC000902888046 663769242 /nfs/dbraw/zinc/76/92/42/663769242.db2.gz PDNZCWFDTDZXFI-LBPRGKRZSA-N 1 0 377.857 2.879 20 0 GFADRO C[C@@H]([NH2+]CCCO[C@H]1CCOC1)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000903109394 663773894 /nfs/dbraw/zinc/77/38/94/663773894.db2.gz FKMVGCUUSRPPEW-OCCSQVGLSA-N 1 0 381.416 2.826 20 0 GFADRO COC[C@H]([NH2+][C@@H](C)c1cccc(S(=O)(=O)C(F)(F)F)c1)[C@@H]1CCCO1 ZINC000903157850 663776341 /nfs/dbraw/zinc/77/63/41/663776341.db2.gz BQUFMGRNECMRHT-CQDKDKBSSA-N 1 0 381.416 2.825 20 0 GFADRO C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+]CC1CCC(S(C)(=O)=O)CC1 ZINC000903156436 663776363 /nfs/dbraw/zinc/77/63/63/663776363.db2.gz TXAVTQBBUIIFBA-IYXRBSQSSA-N 1 0 387.933 2.645 20 0 GFADRO CS(C)(=O)=NS(=O)(=O)N(CCC[NH+]1CCCC1)c1ccc(Cl)cc1 ZINC000903155366 663776364 /nfs/dbraw/zinc/77/63/64/663776364.db2.gz VSFUHUHHMJDNEE-UHFFFAOYSA-N 1 0 393.962 2.605 20 0 GFADRO Cc1cccc(C)c1N(C[C@H](C)[NH+](C)C)S(=O)(=O)c1cn(C)c(Cl)n1 ZINC000903160928 663776480 /nfs/dbraw/zinc/77/64/80/663776480.db2.gz WJXMLIIDMNWIIH-AWEZNQCLSA-N 1 0 384.933 2.836 20 0 GFADRO Cc1cc(C(F)(F)F)nn1CC[NH2+][C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000903163309 663776571 /nfs/dbraw/zinc/77/65/71/663776571.db2.gz BTOMMSBLZPSECV-GFCCVEGCSA-N 1 0 375.416 2.965 20 0 GFADRO Clc1cc(C[NH2+][C@@H]2CCO[C@@]23CCOC3)ccc1I ZINC000903167690 663776759 /nfs/dbraw/zinc/77/67/59/663776759.db2.gz OLMRPMRXROMOMD-ZIAGYGMSSA-N 1 0 393.652 2.982 20 0 GFADRO C[C@H]([NH2+]CCC1(O)CCOCC1)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000903170928 663776894 /nfs/dbraw/zinc/77/68/94/663776894.db2.gz LTJLCJNNQJBRBU-LBPRGKRZSA-N 1 0 381.416 2.562 20 0 GFADRO C[C@H]([NH2+]CCn1cc(Br)ccc1=O)c1cnn(CC2CCC2)c1 ZINC000903177959 663777240 /nfs/dbraw/zinc/77/72/40/663777240.db2.gz SRNKUOAPEWWHIF-ZDUSSCGKSA-N 1 0 379.302 2.958 20 0 GFADRO CS(C)(=O)=NS(=O)(=O)CC[NH2+][C@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000903229608 663779613 /nfs/dbraw/zinc/77/96/13/663779613.db2.gz KTWQUOCFLCCFRQ-AWEZNQCLSA-N 1 0 398.472 2.804 20 0 GFADRO COc1cc([C@H](C)[NH2+]C[C@@]2(OC)CCSC2)ccc1S(=O)(=O)C(F)F ZINC000903310981 663781295 /nfs/dbraw/zinc/78/12/95/663781295.db2.gz POMMLMLISSBPSB-ZBEGNZNMSA-N 1 0 395.493 2.864 20 0 GFADRO CCOC(=O)C(F)(F)[C@@H]1CC[C@H]([NH2+]Cc2ncc(Br)cn2)C1 ZINC000903320470 663781394 /nfs/dbraw/zinc/78/13/94/663781394.db2.gz IYNGQYPXKFEIMM-KOLCDFICSA-N 1 0 378.217 2.696 20 0 GFADRO CC[C@H]([NH2+]C[C@]1(OC)CCS(=O)(=O)C1)c1cc(F)cc(Br)c1 ZINC000903366014 663783000 /nfs/dbraw/zinc/78/30/00/663783000.db2.gz RPVYHQBQXAQFJU-LSDHHAIUSA-N 1 0 394.306 2.833 20 0 GFADRO CO[C@@]1(C[NH2+][C@H]2CCCc3c(Br)cccc32)CCS(=O)(=O)C1 ZINC000903365322 663783016 /nfs/dbraw/zinc/78/30/16/663783016.db2.gz LXHGNWZHZFLMEX-JKSUJKDBSA-N 1 0 388.327 2.620 20 0 GFADRO CO[C@@]1(C[NH2+][C@@H](C)c2ccc(SCC(F)F)cc2)CCS(=O)(=O)C1 ZINC000903369477 663783118 /nfs/dbraw/zinc/78/31/18/663783118.db2.gz XWNAZYCESBGLKC-BLLLJJGKSA-N 1 0 379.494 2.898 20 0 GFADRO C[C@H]([NH2+]CC1(O)CCC2(CC1)OCCO2)c1cc(Br)ncc1F ZINC000903371869 663783431 /nfs/dbraw/zinc/78/34/31/663783431.db2.gz GXAHYEICCJLHEP-NSHDSACASA-N 1 0 389.265 2.682 20 0 GFADRO O=c1ccn(CCC[NH2+][C@H]2CCCOc3ccc(Br)cc32)c(=O)[nH]1 ZINC000903432364 663784514 /nfs/dbraw/zinc/78/45/14/663784514.db2.gz MILDADPPUYUHCJ-AWEZNQCLSA-N 1 0 394.269 2.605 20 0 GFADRO COc1cc([C@H](C)[NH2+][C@@H]2COC[C@@H]2C2CC2)ccc1S(=O)(=O)C(F)F ZINC000903438909 663784873 /nfs/dbraw/zinc/78/48/73/663784873.db2.gz YTFHFKHDGNFNPX-ZLKJLUDKSA-N 1 0 375.437 2.767 20 0 GFADRO COC(=O)C1CC2(C1)C[C@@H]([NH2+][C@@H]1CCCc3sccc31)CCS2(=O)=O ZINC000903453196 663785117 /nfs/dbraw/zinc/78/51/17/663785117.db2.gz UUOPHNBNSTUBCV-FLRRBRPGSA-N 1 0 383.535 2.614 20 0 GFADRO COC(=O)C1CC2(C1)C[C@H]([NH2+][C@@H](C)c1ccccc1Cl)CCS2(=O)=O ZINC000903452814 663785186 /nfs/dbraw/zinc/78/51/86/663785186.db2.gz QWRARZNXUMNVLD-DWBBHFSCSA-N 1 0 385.913 2.890 20 0 GFADRO C[NH2+]C[C@H]1CCCN(S(=O)(=O)c2c[nH]c3cc(Br)ccc32)C1 ZINC000903480971 663785519 /nfs/dbraw/zinc/78/55/19/663785519.db2.gz WWKMMKJTVMSPQO-LLVKDONJSA-N 1 0 386.315 2.551 20 0 GFADRO CN(C1C[C@H]2CC[C@@H](C1)[NH2+]2)S(=O)(=O)c1c[nH]c2cc(Br)ccc21 ZINC000903487927 663785585 /nfs/dbraw/zinc/78/55/85/663785585.db2.gz NPZGMKKIXVLVBC-FUNVUKJBSA-N 1 0 398.326 2.834 20 0 GFADRO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCN(S(=O)(=O)c3cc4ccccc4s3)C2)C1 ZINC000903505777 663785833 /nfs/dbraw/zinc/78/58/33/663785833.db2.gz JZRIQLYNBHKCMK-ARFHVFGLSA-N 1 0 380.535 2.808 20 0 GFADRO Cc1ccc(NC(=O)[C@H](C)N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)c(Br)c1 ZINC000903517168 663786725 /nfs/dbraw/zinc/78/67/25/663786725.db2.gz CLGKBLZERYUPMT-HOSYDEDBSA-N 1 0 394.235 2.906 20 0 GFADRO O=S(=O)(Cc1cccc(Cl)c1Br)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000903521937 663786997 /nfs/dbraw/zinc/78/69/97/663786997.db2.gz IPJNJGZJWKZMBR-AWEZNQCLSA-N 1 0 393.734 2.760 20 0 GFADRO C[C@H](C(=O)Nc1ccccc1Br)N1CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000903536038 663787725 /nfs/dbraw/zinc/78/77/25/663787725.db2.gz ZQXYFNJMEDDCGY-FOGDFJRCSA-N 1 0 394.235 2.988 20 0 GFADRO O=S(=O)(c1cc(Cl)ccc1Cl)N1CC[NH2+]CCC12CCOCC2 ZINC000903546092 663788169 /nfs/dbraw/zinc/78/81/69/663788169.db2.gz GMCSTDFXAWPLSZ-UHFFFAOYSA-N 1 0 379.309 2.527 20 0 GFADRO C[C@@H]1C[NH2+]C[C@H]1CCNS(=O)(=O)c1cccc(Cl)c1Br ZINC000903548698 663788349 /nfs/dbraw/zinc/78/83/49/663788349.db2.gz SLKYDEPEGXHKGR-NXEZZACHSA-N 1 0 381.723 2.626 20 0 GFADRO Cc1cc(C)c(S(=O)(=O)N[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)s1 ZINC000903574495 663789615 /nfs/dbraw/zinc/78/96/15/663789615.db2.gz SDYXTFROGZVYEK-YJBOKZPZSA-N 1 0 378.519 2.899 20 0 GFADRO [NH3+][C@H]1CN(S(=O)(=O)c2ccccc2C(F)(F)F)CC[C@H]1C(F)(F)F ZINC000903577006 663789768 /nfs/dbraw/zinc/78/97/68/663789768.db2.gz CHTJFGYIYDQPNW-SCZZXKLOSA-N 1 0 376.322 2.606 20 0 GFADRO C[C@@]1(CS(=O)(=O)N2C[C@H](C[NH3+])Cc3cc(F)ccc32)CC1(Cl)Cl ZINC000903588582 663790672 /nfs/dbraw/zinc/79/06/72/663790672.db2.gz LEWWJITZPAYPIY-HZMBPMFUSA-N 1 0 381.300 2.677 20 0 GFADRO [NH3+]C[C@@]12CC[C@H]1CCN2S(=O)(=O)c1cc(Br)sc1Cl ZINC000903588077 663790690 /nfs/dbraw/zinc/79/06/90/663790690.db2.gz DLPLGACCHSHPAB-CPCISQLKSA-N 1 0 385.736 2.666 20 0 GFADRO C[NH2+]CCN(C(C)C)S(=O)(=O)c1oc2ccccc2c1Br ZINC000903591151 663791052 /nfs/dbraw/zinc/79/10/52/663791052.db2.gz IRQHZFJEMJXGDN-UHFFFAOYSA-N 1 0 375.288 2.814 20 0 GFADRO O=C(c1ccc(Br)cc1)N1CCN(C[C@H]2CCCC[NH2+]C2)CC1 ZINC000903725591 663805077 /nfs/dbraw/zinc/80/50/77/663805077.db2.gz DGNOGSYVQIVZEN-HNNXBMFYSA-N 1 0 380.330 2.597 20 0 GFADRO Brc1cnc([C@@H]2CCCCN2C[C@H]2CC3(CO2)CC[NH2+]CC3)nc1 ZINC000903786244 663806817 /nfs/dbraw/zinc/80/68/17/663806817.db2.gz GYONNXBIXSRONP-CVEARBPZSA-N 1 0 395.345 2.925 20 0 GFADRO [NH3+]CC1([C@@H]2CCCCN2CC(=O)Nc2ccc(Br)cn2)CCC1 ZINC000903816591 663807535 /nfs/dbraw/zinc/80/75/35/663807535.db2.gz ZNNYRQRUHLUWDE-AWEZNQCLSA-N 1 0 381.318 2.766 20 0 GFADRO C[C@H]1Cc2ccc(Br)cc2CN1Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903914870 663811470 /nfs/dbraw/zinc/81/14/70/663811470.db2.gz LPHYOTYAJOTFGO-GUYCJALGSA-N 1 0 390.329 2.912 20 0 GFADRO C[NH+](C)[C@H]1CCN(c2ccc(NC(=O)c3cnc(Br)s3)nc2)C1 ZINC000904013621 663817072 /nfs/dbraw/zinc/81/70/72/663817072.db2.gz LMJWHKLALYPWSU-NSHDSACASA-N 1 0 396.314 2.693 20 0 GFADRO [NH3+]CCc1noc(CCc2cc(Br)c(Br)s2)n1 ZINC000904072375 663822574 /nfs/dbraw/zinc/82/25/74/663822574.db2.gz GIKDWKYOPJRDMS-UHFFFAOYSA-N 1 0 381.093 2.943 20 0 GFADRO C[NH2+]C[C@@H](C)c1noc(-c2nnn(-c3ccccc3Br)c2C)n1 ZINC000904077611 663823099 /nfs/dbraw/zinc/82/30/99/663823099.db2.gz YLFTTWVGVGIDGB-SECBINFHSA-N 1 0 377.246 2.711 20 0 GFADRO [NH3+]C1CC(Cc2nc(Cc3cccc(F)c3I)no2)C1 ZINC000904104789 663824876 /nfs/dbraw/zinc/82/48/76/663824876.db2.gz XNQIYHWHLHPFKC-UHFFFAOYSA-N 1 0 387.196 2.684 20 0 GFADRO CO[C@@H](C[NH3+])c1nc(-c2cc(Br)sc2Br)no1 ZINC000904114555 663825084 /nfs/dbraw/zinc/82/50/84/663825084.db2.gz WCDJMTLIROHURA-YFKPBYRVSA-N 1 0 383.065 2.969 20 0 GFADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N(O)Cc1cc(Cl)cc(Cl)c1 ZINC000904168353 663826805 /nfs/dbraw/zinc/82/68/05/663826805.db2.gz BMTXYYBIJCOTDZ-LBPRGKRZSA-N 1 0 375.300 2.530 20 0 GFADRO CSc1nsc(NC(=O)N[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)n1 ZINC000904368132 663831794 /nfs/dbraw/zinc/83/17/94/663831794.db2.gz IIFMTMUEJIFABV-MEDUHNTESA-N 1 0 377.495 2.637 20 0 GFADRO COC[C@H]1C[NH2+]CCN1C(=O)Nc1ccc(C(F)(F)F)cc1Br ZINC000904391164 663832294 /nfs/dbraw/zinc/83/22/94/663832294.db2.gz FBJAOJGNGOPYQI-SNVBAGLBSA-N 1 0 396.207 2.920 20 0 GFADRO CN(C(=O)Nc1cc(Br)c(F)cc1F)C1(C[NH3+])CCOCC1 ZINC000904432489 663834217 /nfs/dbraw/zinc/83/42/17/663834217.db2.gz ANLAUXYVSIVZEL-UHFFFAOYSA-N 1 0 378.217 2.699 20 0 GFADRO [NH3+]C[C@@]12CC[C@H]1CCN2C(=O)Nc1ccc2nccnc2c1Br ZINC000904474339 663835704 /nfs/dbraw/zinc/83/57/04/663835704.db2.gz YIGSXGSXMJNZDM-QFYYESIMSA-N 1 0 376.258 2.737 20 0 GFADRO CN(C(=O)Nc1cccc2c(Br)ccnc12)C1(C[NH3+])CCOCC1 ZINC000904492506 663836258 /nfs/dbraw/zinc/83/62/58/663836258.db2.gz BFYBEXJWAYDVPN-UHFFFAOYSA-N 1 0 393.285 2.969 20 0 GFADRO [NH3+]C[C@]12CC[C@@H]1CCN2C(=O)Nc1ccn(-c2ccc(Br)cc2)n1 ZINC000904485969 663836292 /nfs/dbraw/zinc/83/62/92/663836292.db2.gz ZWPMIFRAMSJWCD-SJKOYZFVSA-N 1 0 390.285 2.980 20 0 GFADRO COCCOc1ccc(NC(=O)N2CCC[C@]23CC[NH2+]C3)cc1Br ZINC000904548090 663837253 /nfs/dbraw/zinc/83/72/53/663837253.db2.gz IPWLLUJIEMSRLJ-QGZVFWFLSA-N 1 0 398.301 2.834 20 0 GFADRO COCCOc1ccc(NC(=O)NC2(C[NH3+])CCCC2)cc1Br ZINC000904550541 663837770 /nfs/dbraw/zinc/83/77/70/663837770.db2.gz GPUOSMGYBUWDON-UHFFFAOYSA-N 1 0 386.290 2.867 20 0 GFADRO COCCOc1ccc(NC(=O)N2CC[C@H]([C@H](C)[NH3+])C2)cc1Br ZINC000904550955 663837952 /nfs/dbraw/zinc/83/79/52/663837952.db2.gz IGGWWBBXSKFCAP-RYUDHWBXSA-N 1 0 386.290 2.675 20 0 GFADRO C[C@]1(c2nc(Cc3cc(Br)c4c(c3)OCCO4)no2)CCC[NH2+]1 ZINC000904665138 663839521 /nfs/dbraw/zinc/83/95/21/663839521.db2.gz JLJBXAYDWDPKFE-MRXNPFEDSA-N 1 0 380.242 2.793 20 0 GFADRO [NH3+]CCn1cc(Br)cc(-c2nc([C@@H]3CCC(F)(F)C3)no2)c1=O ZINC000904713335 663842186 /nfs/dbraw/zinc/84/21/86/663842186.db2.gz UJONPLFRRYSTME-MRVPVSSYSA-N 1 0 389.200 2.522 20 0 GFADRO CCCS(=O)(=O)N1CCC([NH2+]C[C@@H](O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000905046857 663850472 /nfs/dbraw/zinc/85/04/72/663850472.db2.gz CUQDQUICEINJDA-MRXNPFEDSA-N 1 0 395.352 2.821 20 0 GFADRO O[C@H](CCC1(O)CCC1)C[NH2+][C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000905095908 663852827 /nfs/dbraw/zinc/85/28/27/663852827.db2.gz HMZILVMNAWNODQ-DOTOQJQBSA-N 1 0 383.330 2.674 20 0 GFADRO O[C@H](CCC1(O)CCC1)C[NH2+]CCOc1ncc(C(F)(F)F)cc1Cl ZINC000905130928 663854381 /nfs/dbraw/zinc/85/43/81/663854381.db2.gz AEYHTAZBGASVSY-GFCCVEGCSA-N 1 0 382.810 2.778 20 0 GFADRO C[C@H](C[NH2+]C[C@H](O)C1(S(=O)(=O)NC(C)(C)C)CCC1)Cc1cccs1 ZINC000905132449 663854568 /nfs/dbraw/zinc/85/45/68/663854568.db2.gz ASAPDNHAJZZJCD-HOCLYGCPSA-N 1 0 388.599 2.518 20 0 GFADRO CC(C)(C)[NH2+]CCC(=O)OCc1cc(C(F)(F)F)cc(S(C)(=O)=O)c1 ZINC000905215549 663859457 /nfs/dbraw/zinc/85/94/57/663859457.db2.gz NUYVLSAIQCTZLZ-UHFFFAOYSA-N 1 0 381.416 2.930 20 0 GFADRO Cc1cc(C[NH2+]C[C@@H](O)c2ccc(Cl)c(Cl)c2)ccc1S(N)(=O)=O ZINC000905237700 663861626 /nfs/dbraw/zinc/86/16/26/663861626.db2.gz KCAQKTTYPGTGJX-OAHLLOKOSA-N 1 0 389.304 2.772 20 0 GFADRO O[C@@H](CCC1(O)CCC1)C[NH2+]Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000905238352 663861644 /nfs/dbraw/zinc/86/16/44/663861644.db2.gz PRRJYBGFAJINFF-KRWDZBQOSA-N 1 0 394.313 2.781 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1nscc1I ZINC000905313891 663865648 /nfs/dbraw/zinc/86/56/48/663865648.db2.gz CMOSYJHEJIQCOF-SNVBAGLBSA-N 1 0 393.294 2.742 20 0 GFADRO CC(C)[NH+]1CCC(NC(=O)c2cc(Br)cn(C3CC3)c2=O)CC1 ZINC000905345590 663866445 /nfs/dbraw/zinc/86/64/45/663866445.db2.gz QGRNCFFFYCVHNG-UHFFFAOYSA-N 1 0 382.302 2.548 20 0 GFADRO Cc1nc(-c2cc3c(s2)CCN(S(=O)(=O)CC2CC[NH2+]CC2)C3)cs1 ZINC000905342253 663866521 /nfs/dbraw/zinc/86/65/21/663866521.db2.gz JBGNGEPCCRVKEF-UHFFFAOYSA-N 1 0 397.591 2.868 20 0 GFADRO O[C@H](CC[C@@H](O)c1ccccc1)C[NH2+]C[C@H](O)c1ccccc1Br ZINC000905368462 663867570 /nfs/dbraw/zinc/86/75/70/663867570.db2.gz RLJFYIJZCATUNI-LZQZEXGQSA-N 1 0 394.309 2.947 20 0 GFADRO OCC1(C[C@@H](O)C[NH2+][C@@H]2[C@H]3Cc4cc(Br)ccc4[C@@H]23)CCCC1 ZINC000905397276 663869261 /nfs/dbraw/zinc/86/92/61/663869261.db2.gz BEWZTGXOQXMIJS-BZZMCLGOSA-N 1 0 380.326 2.981 20 0 GFADRO CN1CC[N@H+](C)CC(C(=O)N2CCc3sccc3[C@@H]2c2cccs2)C1 ZINC000905405984 663869979 /nfs/dbraw/zinc/86/99/79/663869979.db2.gz JQWIDWXVLAGQKN-GOSISDBHSA-N 1 0 375.563 2.777 20 0 GFADRO COC[C@@H](C)OC[C@@H](O)C[NH2+]CCc1cc(Cl)cc(Br)c1 ZINC000905418850 663870507 /nfs/dbraw/zinc/87/05/07/663870507.db2.gz LXHOSVZHTDWDBY-ABAIWWIYSA-N 1 0 380.710 2.647 20 0 GFADRO C[C@](O)(C[NH2+][C@H](CO)C[C@H]1CCCO1)c1ccc(Br)cc1Cl ZINC000905460502 663872585 /nfs/dbraw/zinc/87/25/85/663872585.db2.gz LNODITUKKXCUGW-ZENOOKHLSA-N 1 0 392.721 2.830 20 0 GFADRO CCS(=O)(=O)c1ccccc1CC[NH2+]C[C@H](O)Cc1cccc(Cl)c1 ZINC000905560408 663878660 /nfs/dbraw/zinc/87/86/60/663878660.db2.gz MFWOYIPRMWVOSN-GOSISDBHSA-N 1 0 381.925 2.869 20 0 GFADRO S=C(Nc1ccc2c(c1)OCCCO2)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000905633032 663882974 /nfs/dbraw/zinc/88/29/74/663882974.db2.gz JEIDRNXUFZDZFX-HUUCEWRRSA-N 1 0 379.551 2.714 20 0 GFADRO CC[C@](O)(C[NH2+]Cc1ccc(S(=O)(=O)N(C)C(C)C)cc1)C(F)(F)F ZINC000905920931 663901274 /nfs/dbraw/zinc/90/12/74/663901274.db2.gz UVZHJRFIBWQNAT-HNNXBMFYSA-N 1 0 382.448 2.509 20 0 GFADRO CC[C@@](O)(C[NH+]1CCC(C(=O)NCCc2cccs2)CC1)C(F)(F)F ZINC000905923010 663901281 /nfs/dbraw/zinc/90/12/81/663901281.db2.gz RWFZXHAUVVQSSL-MRXNPFEDSA-N 1 0 378.460 2.822 20 0 GFADRO C[C@@H](CNC(=O)c1c(Cl)ccc(I)c1F)[NH+](C)C ZINC000906072313 663921574 /nfs/dbraw/zinc/92/15/74/663921574.db2.gz IFPQPWWGQAMMRC-ZETCQYMHSA-N 1 0 384.620 2.764 20 0 GFADRO C[C@H](CNC(=O)C(F)(F)c1ncccc1Br)C[NH+]1CCCC1 ZINC000906320144 663937917 /nfs/dbraw/zinc/93/79/17/663937917.db2.gz WRBJDODQTCJTSB-LLVKDONJSA-N 1 0 376.245 2.784 20 0 GFADRO CC[NH+]1CCC(N(C)C(=O)c2cc(Br)cn(C3CC3)c2=O)CC1 ZINC000906520287 663955230 /nfs/dbraw/zinc/95/52/30/663955230.db2.gz CGKIBWPBHQWSOJ-UHFFFAOYSA-N 1 0 382.302 2.502 20 0 GFADRO Cc1cc(Br)c(CC(=O)N2CCC(OCC[NH+](C)C)CC2)s1 ZINC000906666048 663964022 /nfs/dbraw/zinc/96/40/22/663964022.db2.gz HDKHDRGETMCFLL-UHFFFAOYSA-N 1 0 389.359 2.931 20 0 GFADRO CO[C@H](C(=O)N1CCC(C[NH+](C)C)CC1)c1ccc(Br)s1 ZINC000906673387 663964404 /nfs/dbraw/zinc/96/44/04/663964404.db2.gz FAFRUAMRZYFINY-AWEZNQCLSA-N 1 0 375.332 2.998 20 0 GFADRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(F)(F)c1ncccc1Br ZINC000906792843 663971498 /nfs/dbraw/zinc/97/14/98/663971498.db2.gz OMUIJQOJWUQLDM-CMPLNLGQSA-N 1 0 376.245 2.735 20 0 GFADRO CC[N@H+](C)C[C@H]1CCN(C(=O)C(F)(F)c2ncccc2Br)C1 ZINC000906848153 663976271 /nfs/dbraw/zinc/97/62/71/663976271.db2.gz UMQGUJZBPJEHCW-LLVKDONJSA-N 1 0 376.245 2.736 20 0 GFADRO CO[C@H](C(=O)NC[C@@]1([NH+](C)C)CCSC1)c1ccc(Br)s1 ZINC000906900416 663980423 /nfs/dbraw/zinc/98/04/23/663980423.db2.gz HGELUPNLVQLZRF-JSGCOSHPSA-N 1 0 393.372 2.752 20 0 GFADRO COc1ncccc1S(=O)(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000906988638 663989444 /nfs/dbraw/zinc/98/94/44/663989444.db2.gz ZLNRHEYPMHCAAS-CJNGLKHVSA-N 1 0 381.523 2.513 20 0 GFADRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3cc(Br)cn(C4CC4)c3=O)CC[C@H]21 ZINC000907038714 663995642 /nfs/dbraw/zinc/99/56/42/663995642.db2.gz ULAZDMNLHSOZKV-BLLLJJGKSA-N 1 0 394.313 2.502 20 0 GFADRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)C[C@@H](O)C(Cl)(Cl)Cl)CC1 ZINC000907102606 664002086 /nfs/dbraw/zinc/00/20/86/664002086.db2.gz SEMSNZAOBXGZOK-SMDDNHRTSA-N 1 0 394.730 2.844 20 0 GFADRO CCN(CC1CC1)S(=O)(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000907344916 664026074 /nfs/dbraw/zinc/02/60/74/664026074.db2.gz IPYCSQXEKADVQW-KRWDZBQOSA-N 1 0 385.599 2.787 20 0 GFADRO Cc1ccc(C[N@H+]2CC[C@H](CN(C)S(=O)(=O)[C@H]3CCO[C@H](C)C3)C2)s1 ZINC000907346482 664026250 /nfs/dbraw/zinc/02/62/50/664026250.db2.gz NPSOESURYZJSKJ-KYJSFNMBSA-N 1 0 386.583 2.708 20 0 GFADRO C[NH+](C)CCn1nccc1C(=O)N1CCc2c(Br)ccc(F)c2C1 ZINC000907364523 664029032 /nfs/dbraw/zinc/02/90/32/664029032.db2.gz KFEYEPWZGAHSDS-UHFFFAOYSA-N 1 0 395.276 2.545 20 0 GFADRO C[NH+]1CCC2(CCN2S(=O)(=O)c2cc(Br)ccc2Cl)CC1 ZINC000907853617 664065830 /nfs/dbraw/zinc/06/58/30/664065830.db2.gz LXFCLSWRAWPOKJ-UHFFFAOYSA-N 1 0 393.734 2.961 20 0 GFADRO CC(C)[NH+]1CCN(CCCC(=O)N2CC[C@@]3(C)[C@@H](C2)C3(Cl)Cl)CC1 ZINC000908073949 664081290 /nfs/dbraw/zinc/08/12/90/664081290.db2.gz XISDQEJEFBUCKO-WBVHZDCISA-N 1 0 376.372 2.835 20 0 GFADRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1cccn2ncc(Br)c12 ZINC000908150014 664088154 /nfs/dbraw/zinc/08/81/54/664088154.db2.gz YARNDWHLQZRUFI-CHWSQXEVSA-N 1 0 377.286 2.796 20 0 GFADRO CN(C)C(=O)Sc1cc(NC(=O)C2C[NH+]([C@H]3CCOC3)C2)ccc1Cl ZINC000908196397 664091025 /nfs/dbraw/zinc/09/10/25/664091025.db2.gz WWYJRUUDRVAYHB-ZDUSSCGKSA-N 1 0 383.901 2.773 20 0 GFADRO O=C(c1cc(Br)ccc1C1CC1)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000908201413 664091544 /nfs/dbraw/zinc/09/15/44/664091544.db2.gz LTHMVAVGTHOBFK-LSDHHAIUSA-N 1 0 379.298 2.608 20 0 GFADRO C[C@H](NC(=O)c1ccnn1CC[NH+](C)C)c1ccc(F)c(Br)c1 ZINC000908428748 664105865 /nfs/dbraw/zinc/10/58/65/664105865.db2.gz SPRWCZAMJCTQTP-NSHDSACASA-N 1 0 383.265 2.837 20 0 GFADRO Cc1cc(C(=O)N2CCC(CO)([NH2+]C(C)C)CC2)c(Br)s1 ZINC000908597226 664116381 /nfs/dbraw/zinc/11/63/81/664116381.db2.gz HEOCVBDWPOKUPJ-UHFFFAOYSA-N 1 0 375.332 2.784 20 0 GFADRO CC(C)[NH2+]C1(CO)CCN(C(=O)[C@@H]2C[C@H]2c2cccc(Br)c2)CC1 ZINC000908606606 664117382 /nfs/dbraw/zinc/11/73/82/664117382.db2.gz NDAJDBFDCVHDIS-DLBZAZTESA-N 1 0 395.341 2.904 20 0 GFADRO O=C(NC1CC[NH+](C2CCC2)CC1)c1cccn2ncc(Br)c12 ZINC000909285056 664151144 /nfs/dbraw/zinc/15/11/44/664151144.db2.gz ISXFVADTDZVPLS-UHFFFAOYSA-N 1 0 377.286 2.844 20 0 GFADRO CC[C@H](NC(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@H]([NH3+])C1)c1ccc(Cl)s1 ZINC000911032198 664233574 /nfs/dbraw/zinc/23/35/74/664233574.db2.gz CSIMHOPJHIZCBN-AEJSXWLSSA-N 1 0 397.850 2.707 20 0 GFADRO CC[C@H](C(=O)N1CCc2[nH]cnc2[C@H]1c1ccc(Br)cc1)[NH+](C)C ZINC000911253351 664240439 /nfs/dbraw/zinc/24/04/39/664240439.db2.gz UJUIADWXXAMYJR-NVXWUHKLSA-N 1 0 391.313 2.987 20 0 GFADRO CCCN(C(=O)c1cc(Br)cn(C2CC2)c1=O)[C@@H]1CC[N@H+](C)C1 ZINC000911510650 664247486 /nfs/dbraw/zinc/24/74/86/664247486.db2.gz AIZVKPOVCBHPJN-CQSZACIVSA-N 1 0 382.302 2.502 20 0 GFADRO C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H](C)c2ccc(I)cc2)C1 ZINC000911633974 664251001 /nfs/dbraw/zinc/25/10/01/664251001.db2.gz KSIRJWRYZBVPRU-STQMWFEESA-N 1 0 386.277 2.853 20 0 GFADRO Cc1c(C(=O)N2CCCC[C@@H]2[C@@H](C)[NH3+])nnn1-c1ccccc1Br ZINC000911685827 664252762 /nfs/dbraw/zinc/25/27/62/664252762.db2.gz WIKUFKLDCMWGPC-BXUZGUMPSA-N 1 0 392.301 2.680 20 0 GFADRO Cc1c(C(=O)N2CCCC[C@H]2[C@H](C)[NH3+])nnn1-c1ccccc1Br ZINC000911685828 664253040 /nfs/dbraw/zinc/25/30/40/664253040.db2.gz WIKUFKLDCMWGPC-FZMZJTMJSA-N 1 0 392.301 2.680 20 0 GFADRO Cc1c(C(=O)N2CCCC[C@H]2[C@@H](C)[NH3+])nnn1-c1ccccc1Br ZINC000911685829 664253069 /nfs/dbraw/zinc/25/30/69/664253069.db2.gz WIKUFKLDCMWGPC-RISCZKNCSA-N 1 0 392.301 2.680 20 0 GFADRO C[C@H](NC(=O)c1ccc(Cn2cc(Br)cn2)s1)[C@H]1CCC[NH2+]C1 ZINC000911719729 664253994 /nfs/dbraw/zinc/25/39/94/664253994.db2.gz OPWWXYNVWIRRFG-RYUDHWBXSA-N 1 0 397.342 2.873 20 0 GFADRO C[C@H](NC(=O)c1cc2ccc(Br)cc2c(=O)o1)[C@@H]1CCC[NH2+]C1 ZINC000911726578 664254309 /nfs/dbraw/zinc/25/43/09/664254309.db2.gz UEZPMUMUTRJVRE-CMPLNLGQSA-N 1 0 379.254 2.673 20 0 GFADRO C[C@H](NC(=O)c1cc(Br)cnc1Br)[C@@H]1CCC[NH2+]C1 ZINC000911727176 664254463 /nfs/dbraw/zinc/25/44/63/664254463.db2.gz XGXPANZSNIHCEY-DTWKUNHWSA-N 1 0 391.107 2.725 20 0 GFADRO CCCN(C(=O)c1cc2ccc(Br)cc2c(=O)o1)[C@H]1CC[NH2+]C1 ZINC000911767808 664256053 /nfs/dbraw/zinc/25/60/53/664256053.db2.gz LUPMKILKXMDHSF-ZDUSSCGKSA-N 1 0 379.254 2.770 20 0 GFADRO CCCN(C(=O)c1ccc(Cn2cc(Br)cn2)s1)[C@@H]1CC[NH2+]C1 ZINC000911769107 664256074 /nfs/dbraw/zinc/25/60/74/664256074.db2.gz TWMWBVMTCJXMLC-CYBMUJFWSA-N 1 0 397.342 2.970 20 0 GFADRO O=C(c1cc(Br)c2nccnc2c1)N1CCC([NH2+]CC2CC2)CC1 ZINC000911839874 664258409 /nfs/dbraw/zinc/25/84/09/664258409.db2.gz DFZKPBVQPZFMDV-UHFFFAOYSA-N 1 0 389.297 2.997 20 0 GFADRO C[NH+]1CCC(N(CCO)C(=O)c2ccc(Br)c(Cl)c2F)CC1 ZINC000911942733 664263290 /nfs/dbraw/zinc/26/32/90/664263290.db2.gz JHQGWULGUDSEOJ-UHFFFAOYSA-N 1 0 393.684 2.770 20 0 GFADRO Cc1sc(NC(=O)[C@]2(C)C[C@H](O)C[NH2+]2)nc1-c1ccc(Br)cc1 ZINC000912002067 664265651 /nfs/dbraw/zinc/26/56/51/664265651.db2.gz KENOSOAUEXPODI-LRDDRELGSA-N 1 0 396.310 2.932 20 0 GFADRO Cc1nc(-c2ccc(CNC(=O)C3=NO[C@@]4(C3)CCC[NH2+]C4)s2)cs1 ZINC000912133486 664271293 /nfs/dbraw/zinc/27/12/93/664271293.db2.gz NRKSQOXJAQETNV-QGZVFWFLSA-N 1 0 376.507 2.695 20 0 GFADRO O=C(NCc1cc(F)ccc1Br)c1ncoc1C1CC[NH2+]CC1 ZINC000912269267 664278896 /nfs/dbraw/zinc/27/88/96/664278896.db2.gz CXBVYHRTHJDFBC-UHFFFAOYSA-N 1 0 382.233 2.973 20 0 GFADRO O=C(NCc1cc(F)ccc1Br)[C@@H]1CC[NH2+][C@H]([C@@H]2CCCO2)C1 ZINC000912269509 664279070 /nfs/dbraw/zinc/27/90/70/664279070.db2.gz FTMVOWDUEADVLO-RLCCDNCMSA-N 1 0 385.277 2.752 20 0 GFADRO COc1cc(NC(=O)[C@@H]2CC[NH2+][C@H]([C@H]3CCCO3)C2)ccc1Br ZINC000912438677 664286841 /nfs/dbraw/zinc/28/68/41/664286841.db2.gz QYAHXGBKRXGAOR-BYCMXARLSA-N 1 0 383.286 2.943 20 0 GFADRO CC[NH+](CC)CCOC(=O)c1ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c1 ZINC000912578508 664293606 /nfs/dbraw/zinc/29/36/06/664293606.db2.gz WSCSAHPWFXKPED-UHFFFAOYSA-N 1 0 390.933 2.915 20 0 GFADRO C[C@@H]1CCC[C@@H](CC[NH+](C)C)N1C(=O)c1c(Br)nc2n1CCC2 ZINC000912647957 664295966 /nfs/dbraw/zinc/29/59/66/664295966.db2.gz CALSENMSTZMJLG-OLZOCXBDSA-N 1 0 383.334 2.927 20 0 GFADRO CCC[N@H+](C)CC(=O)N[C@H](c1nccn1C)c1ccc(Br)cc1 ZINC000912679620 664297928 /nfs/dbraw/zinc/29/79/28/664297928.db2.gz YVXCPKNEPYRPRA-INIZCTEOSA-N 1 0 379.302 2.730 20 0 GFADRO O=C(Nc1ccc(F)c(Br)c1F)C1C[NH+](C2CCOCC2)C1 ZINC000912698713 664298683 /nfs/dbraw/zinc/29/86/83/664298683.db2.gz RTQACGGEZVLLLS-UHFFFAOYSA-N 1 0 375.213 2.777 20 0 GFADRO CC(=O)c1cc(Br)ccc1OCC(=O)N1CCC([NH+]2CCC2)CC1 ZINC000912871818 664307107 /nfs/dbraw/zinc/30/71/07/664307107.db2.gz DANBMUITQPWLRO-UHFFFAOYSA-N 1 0 395.297 2.727 20 0 GFADRO O=C(c1ccc(I)c(F)c1)N1CCC([NH+]2CCC2)CC1 ZINC000912879551 664307322 /nfs/dbraw/zinc/30/73/22/664307322.db2.gz GYLVIBRHZNNORP-UHFFFAOYSA-N 1 0 388.224 2.741 20 0 GFADRO COc1nsc(CNC(=O)[C@@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)c1Br ZINC000912946996 664313349 /nfs/dbraw/zinc/31/33/49/664313349.db2.gz VUFAQOQLVDYVGH-KXUCPTDWSA-N 1 0 376.320 2.792 20 0 GFADRO C[NH+](C)CCn1nccc1C(=O)N1CC2(CC2)c2ccc(Br)cc21 ZINC000913002091 664316143 /nfs/dbraw/zinc/31/61/43/664316143.db2.gz WDPHGMJLNUWSKN-UHFFFAOYSA-N 1 0 389.297 2.899 20 0 GFADRO C[NH+]1C[C@]2(C)CN(C(=O)Cc3csc(CCC(F)(F)F)n3)C[C@@]2(C)C1 ZINC000913270377 664330415 /nfs/dbraw/zinc/33/04/15/664330415.db2.gz XDXZXRLJQDMOSD-HZPDHXFCSA-N 1 0 375.460 2.981 20 0 GFADRO C[NH+]1C[C@@]2(C)CN(C(=O)C(F)(F)c3ncccc3Br)C[C@]2(C)C1 ZINC000913272641 664330697 /nfs/dbraw/zinc/33/06/97/664330697.db2.gz CAGYRCHHFHXNIK-GJZGRUSLSA-N 1 0 388.256 2.736 20 0 GFADRO COc1cc(C(=O)N2C[C@@]3(C)C[NH+](C)C[C@]3(C)C2)cc(OC)c1Br ZINC000913293354 664331330 /nfs/dbraw/zinc/33/13/30/664331330.db2.gz MVYNLUPBNPQYKH-QZTJIDSGSA-N 1 0 397.313 2.880 20 0 GFADRO O=C(N1CC2(CCOCC2)c2ccc(Br)cc21)C12CC[NH+](CC1)C2 ZINC000913433952 664337047 /nfs/dbraw/zinc/33/70/47/664337047.db2.gz STVQKHLLIITGPF-UHFFFAOYSA-N 1 0 391.309 2.940 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3cnnn3-c3cc(Cl)ccc3Cl)CC[C@@H]21 ZINC000913760949 664356134 /nfs/dbraw/zinc/35/61/34/664356134.db2.gz UOYUIGLAQKOZEA-RISCZKNCSA-N 1 0 380.279 2.740 20 0 GFADRO O=S(=O)(C[C@@]12CC[N@H+](C1)CCC2)N(Cc1cccs1)C[C@H]1CCCO1 ZINC000913863163 664362218 /nfs/dbraw/zinc/36/22/18/664362218.db2.gz QRZOSKGALOZDPF-AEFFLSMTSA-N 1 0 384.567 2.545 20 0 GFADRO O=C(NCCC[NH+]1CCCCC1)NC1(c2ncc(Br)cn2)CCC1 ZINC000913935919 664367098 /nfs/dbraw/zinc/36/70/98/664367098.db2.gz AJGRYMMZFRIXEZ-UHFFFAOYSA-N 1 0 396.333 2.794 20 0 GFADRO C[C@@H](C[NH+]1CCCCC1)NC(=O)N1CCC[C@H]1c1ncc(Br)cn1 ZINC000914080447 664375243 /nfs/dbraw/zinc/37/52/43/664375243.db2.gz DGHKHLNCYGBLOC-ZFWWWQNUSA-N 1 0 396.333 2.960 20 0 GFADRO CC[N@H+](C)C[C@H]1CCN(S(=O)(=O)Cc2cccc(F)c2Br)C1 ZINC000914205392 664385441 /nfs/dbraw/zinc/38/54/41/664385441.db2.gz PPHGWZUGHIJRSP-GFCCVEGCSA-N 1 0 393.322 2.692 20 0 GFADRO C[N@@H+]1CCC[C@@H]2CN(S(=O)(=O)c3cnc(-c4ccccc4)s3)CC[C@H]21 ZINC000914259395 664391693 /nfs/dbraw/zinc/39/16/93/664391693.db2.gz RKGLFCMYQVGWTR-HZPDHXFCSA-N 1 0 377.535 2.915 20 0 GFADRO C[C@H](CNC(=O)N1CCCC[C@@H]1c1ncc(Br)cn1)[N@H+](C)C1CC1 ZINC000916851536 664473112 /nfs/dbraw/zinc/47/31/12/664473112.db2.gz PNQLUABRZUYIOC-IUODEOHRSA-N 1 0 396.333 2.958 20 0 GFADRO CC(C)(C)CCN1CCN(C(=O)c2cc(S(C)(=O)=O)ccc2Cl)CC1 ZINC000917877539 664491608 /nfs/dbraw/zinc/49/16/08/664491608.db2.gz PRSDXDQJEMDHHQ-UHFFFAOYSA-N 1 0 386.945 2.938 20 0 GFADRO C[N@H+](CCNC(=O)N1CCCC[C@@H]1c1ncc(Br)cn1)C1CC1 ZINC000918180759 664496256 /nfs/dbraw/zinc/49/62/56/664496256.db2.gz NFOBFCXHJMVEMR-CQSZACIVSA-N 1 0 382.306 2.570 20 0 GFADRO O=S(=O)(C[C@@]12CC[N@H+](C1)CCC2)N[C@@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000918496758 664500016 /nfs/dbraw/zinc/50/00/16/664500016.db2.gz NSDXBOIWPMQSRZ-SQNIBIBYSA-N 1 0 384.929 2.575 20 0 GFADRO C[C@@H]1C[N@@H+](CCCNC(=O)c2sc(N3CCCC3)nc2Cl)C[C@H](C)O1 ZINC000920275861 664524363 /nfs/dbraw/zinc/52/43/63/664524363.db2.gz ACKGHYOKYKWODL-BETUJISGSA-N 1 0 386.949 2.626 20 0 GFADRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1ccc(Cl)c(S(C)(=O)=O)c1 ZINC000920744168 664530339 /nfs/dbraw/zinc/53/03/39/664530339.db2.gz ATDGWMGJTUPJOK-MJBXVCDLSA-N 1 0 386.945 2.840 20 0 GFADRO C[NH+]1CCN(c2ncccc2CNC(=S)Nc2ccccc2Cl)CC1 ZINC000921143800 664537939 /nfs/dbraw/zinc/53/79/39/664537939.db2.gz DIQATYCKSDAPJW-UHFFFAOYSA-N 1 0 375.929 2.973 20 0 GFADRO Cn1cc(CNC(=O)NC2CCC([NH+]3CCCCC3)CC2)c(Br)n1 ZINC000921362299 664543951 /nfs/dbraw/zinc/54/39/51/664543951.db2.gz HVKXDRAYXUPGOV-UHFFFAOYSA-N 1 0 398.349 2.779 20 0 GFADRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N1CCC[C@@H]1c1ncc(Br)cn1 ZINC000921434405 664548480 /nfs/dbraw/zinc/54/84/80/664548480.db2.gz IGMSHIIZNRVSJG-BYCMXARLSA-N 1 0 394.317 2.568 20 0 GFADRO C[NH+](C)CC[C@H](NS(=O)(=O)CCc1ccccc1Cl)c1cccnc1 ZINC000921479107 664550017 /nfs/dbraw/zinc/55/00/17/664550017.db2.gz BLAIFRKOFQRDRU-SFHVURJKSA-N 1 0 381.929 2.890 20 0 GFADRO O[C@@H](C[NH2+]Cc1nc(Br)c[nH]1)c1ccc(OC(F)(F)F)cc1 ZINC000921629159 664558433 /nfs/dbraw/zinc/55/84/33/664558433.db2.gz KUEPJRKKRGVDJH-JTQLQIEISA-N 1 0 380.164 2.894 20 0 GFADRO Cn1nc2c(c1C[NH2+]CCC(=O)Nc1ccc(Br)cc1)CCC2 ZINC000921649553 664559310 /nfs/dbraw/zinc/55/93/10/664559310.db2.gz UIGRZXDYFWETQA-UHFFFAOYSA-N 1 0 377.286 2.790 20 0 GFADRO CC[C@H](C)[C@H](O)C[NH2+]Cc1nc(Br)c(Br)n1CC ZINC000921731067 664565099 /nfs/dbraw/zinc/56/50/99/664565099.db2.gz AWECVUVRQIPFKV-DTWKUNHWSA-N 1 0 383.128 2.925 20 0 GFADRO CCn1c(C[NH2+][C@H](CCO)C2CC2)nc(Br)c1Br ZINC000921769285 664567264 /nfs/dbraw/zinc/56/72/64/664567264.db2.gz BDHPCKNDWJKVSO-SECBINFHSA-N 1 0 381.112 2.679 20 0 GFADRO CSc1ccc(S(=O)(=O)NC[C@H]2CC[N@@H+]2C2CCOCC2)cc1Cl ZINC000921907124 664575626 /nfs/dbraw/zinc/57/56/26/664575626.db2.gz DHYGTBLMYGDMGY-CYBMUJFWSA-N 1 0 390.958 2.594 20 0 GFADRO CSc1ccc(S(=O)(=O)NC[C@@H]2CC[N@@H+]2C2CCOCC2)cc1Cl ZINC000921907128 664575683 /nfs/dbraw/zinc/57/56/83/664575683.db2.gz DHYGTBLMYGDMGY-ZDUSSCGKSA-N 1 0 390.958 2.594 20 0 GFADRO CCn1c(Br)c(Br)nc1CNCC1=CC[N@H+](C)CC1 ZINC000921968953 664579544 /nfs/dbraw/zinc/57/95/44/664579544.db2.gz PXLAAFDKHCBDNY-UHFFFAOYSA-N 1 0 392.139 2.780 20 0 GFADRO Cn1nc2c(c1C[NH2+]C[C@H](CO)Cc1ccccc1Br)CCC2 ZINC000922060242 664583366 /nfs/dbraw/zinc/58/33/66/664583366.db2.gz RCCZYKBDAUVMHK-CYBMUJFWSA-N 1 0 378.314 2.612 20 0 GFADRO CN(Cc1ncc(Br)cn1)C(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000922178672 664589046 /nfs/dbraw/zinc/58/90/46/664589046.db2.gz QNRPQJVUCRTHTL-UHFFFAOYSA-N 1 0 384.322 2.503 20 0 GFADRO Ic1cnc(C[NH2+]CCCO[C@@H]2CCCCO2)s1 ZINC000922233958 664591016 /nfs/dbraw/zinc/59/10/16/664591016.db2.gz UIFHJGNMZOMVBU-GFCCVEGCSA-N 1 0 382.267 2.771 20 0 GFADRO Cc1nc([C@@H]2C[C@@H](O)[C@@H](C[NH2+]Cc3cccc(C)c3Br)C2)n[nH]1 ZINC000922265933 664592598 /nfs/dbraw/zinc/59/25/98/664592598.db2.gz BNPIPKZWFNDCNW-RRFJBIMHSA-N 1 0 379.302 2.828 20 0 GFADRO CN1C(=O)N=NC1C[C@@H]1CCCC[C@@H]1[NH2+]Cc1cncc(Br)c1 ZINC000922405481 664600134 /nfs/dbraw/zinc/60/01/34/664600134.db2.gz YIWBIHWYSQVITH-JSGCOSHPSA-N 1 0 380.290 2.569 20 0 GFADRO Cc1nnc([C@@H]2OCC[C@@H]2C[NH2+]Cc2nc(Cl)ccc2Br)[nH]1 ZINC000922408080 664600372 /nfs/dbraw/zinc/60/03/72/664600372.db2.gz CQCFZIPQFPGKIX-NOZJJQNGSA-N 1 0 386.681 2.791 20 0 GFADRO COc1cccc(C[NH2+]CC2CCC(S(C)(=O)=O)CC2)c1OC(F)F ZINC000922422206 664601004 /nfs/dbraw/zinc/60/10/04/664601004.db2.gz VCQHKSVYSSNYAK-UHFFFAOYSA-N 1 0 377.453 2.990 20 0 GFADRO Cc1nn(C)c(OCC(F)(F)F)c1C[NH2+]C[C@H]1CC[C@H](C(F)(F)F)O1 ZINC000922465109 664602798 /nfs/dbraw/zinc/60/27/98/664602798.db2.gz XQPRDWPDVHWANJ-MWLCHTKSSA-N 1 0 375.313 2.869 20 0 GFADRO Cc1nn(C)c(OCC(F)(F)F)c1C[NH2+]C[C@@H]1CC[C@H](C(F)(F)F)O1 ZINC000922465107 664602820 /nfs/dbraw/zinc/60/28/20/664602820.db2.gz XQPRDWPDVHWANJ-GXSJLCMTSA-N 1 0 375.313 2.869 20 0 GFADRO CC(C)(C)n1cc(C[NH2+]Cc2cc(F)cc(Br)c2)c(=O)[nH]c1=O ZINC000922498232 664604390 /nfs/dbraw/zinc/60/43/90/664604390.db2.gz URCFKVFPODEQKM-UHFFFAOYSA-N 1 0 384.249 2.895 20 0 GFADRO Cc1nn(-c2cccc(Br)c2)cc1C[NH2+]C1CC(CC(N)=O)C1 ZINC000922515789 664605389 /nfs/dbraw/zinc/60/53/89/664605389.db2.gz JFFNVOREAPXDHM-UHFFFAOYSA-N 1 0 377.286 2.687 20 0 GFADRO COc1cc(C[NH2+][C@@H]2CCCN3CCSC[C@H]23)cc(Br)c1O ZINC000922525501 664605842 /nfs/dbraw/zinc/60/58/42/664605842.db2.gz RITWGSDLYFHSMC-ZIAGYGMSSA-N 1 0 387.343 2.833 20 0 GFADRO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N1CCC[C@@H]1c1ncc(Br)cn1 ZINC000922532198 664606280 /nfs/dbraw/zinc/60/62/80/664606280.db2.gz FQUOGLUXVFUAPP-TZMCWYRMSA-N 1 0 384.322 2.814 20 0 GFADRO CO[C@]1(C[NH2+]Cc2cc(Cl)ccc2OC2CCCC2)CCS(=O)(=O)C1 ZINC000922614532 664608458 /nfs/dbraw/zinc/60/84/58/664608458.db2.gz FDFWBSBOGFVOHX-SFHVURJKSA-N 1 0 387.929 2.955 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+]CC[C@H]2CC[C@@H](C(F)(F)F)O2)cc1Cl ZINC000922676354 664610459 /nfs/dbraw/zinc/61/04/59/664610459.db2.gz JMCXLWKJDMPUKL-MFKMUULPSA-N 1 0 386.823 2.577 20 0 GFADRO Cn1cc(C[NH2+]CCc2cnc3ccccc3c2)c(I)n1 ZINC000922706154 664611274 /nfs/dbraw/zinc/61/12/74/664611274.db2.gz QFCDRAHJFPXKLL-UHFFFAOYSA-N 1 0 392.244 2.905 20 0 GFADRO FC(F)Oc1ccc(Br)cc1C[NH2+]C[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000922728212 664612175 /nfs/dbraw/zinc/61/21/75/664612175.db2.gz MOVYHJFTHYIANK-OSMZGAPFSA-N 1 0 378.213 2.944 20 0 GFADRO C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1C[NH2+]CC(C)(C)CS(C)(=O)=O ZINC000922739193 664613017 /nfs/dbraw/zinc/61/30/17/664613017.db2.gz DIXIMCCQZRGWNR-HUUCEWRRSA-N 1 0 376.563 2.540 20 0 GFADRO CCO[C@@H](CNCc1c[nH]nc1-c1ccc(Br)s1)C[NH+](C)C ZINC000922755320 664613380 /nfs/dbraw/zinc/61/33/80/664613380.db2.gz BFMBLXPRGONQHQ-LBPRGKRZSA-N 1 0 387.347 2.957 20 0 GFADRO C[N@H+](CCCCNC(=O)N1CCC[C@@H]1c1ncc(Br)cn1)C1CC1 ZINC000922809093 664615299 /nfs/dbraw/zinc/61/52/99/664615299.db2.gz LEIUDWPNIJLFFJ-OAHLLOKOSA-N 1 0 396.333 2.960 20 0 GFADRO Cn1nnc2c1C[C@H]([NH2+]Cc1nc(-c3ccc(Br)cc3)c[nH]1)CC2 ZINC000922995040 664620625 /nfs/dbraw/zinc/62/06/25/664620625.db2.gz ZHFLTBUBYXCEKY-CYBMUJFWSA-N 1 0 387.285 2.615 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)N1CCC[C@H]1c1ncc(Br)cn1 ZINC000923172591 664623466 /nfs/dbraw/zinc/62/34/66/664623466.db2.gz VCIQZSNLRRHGMW-KGLIPLIRSA-N 1 0 396.333 2.958 20 0 GFADRO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)Cc1noc2ccc(Br)cc21 ZINC000923263270 664626914 /nfs/dbraw/zinc/62/69/14/664626914.db2.gz AIULAGKKCKAYSG-QWHCGFSZSA-N 1 0 378.270 2.828 20 0 GFADRO C[NH2+]C[C@@H]1CCCN(C[C@@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000923283902 664627413 /nfs/dbraw/zinc/62/74/13/664627413.db2.gz ZFMUZAUWQGHCRU-GXTWGEPZSA-N 1 0 391.737 2.774 20 0 GFADRO C[NH+](C)CCN(Cc1cccs1)C(=O)NCc1cnc(Br)cn1 ZINC000923533698 664633024 /nfs/dbraw/zinc/63/30/24/664633024.db2.gz NHCQBNWWXKHDBU-UHFFFAOYSA-N 1 0 398.330 2.574 20 0 GFADRO [NH3+]CC[C@@H]1CCN(S(=O)(=O)Cc2ccc(Br)cc2Cl)C1 ZINC000923697722 664636195 /nfs/dbraw/zinc/63/61/95/664636195.db2.gz AIKRKFGTLOMACZ-SNVBAGLBSA-N 1 0 381.723 2.603 20 0 GFADRO C[C@@H]1CN(S(=O)(=O)c2ccc(C(F)(F)C(F)(F)F)cc2)CC[C@H]1C[NH3+] ZINC000923699810 664636384 /nfs/dbraw/zinc/63/63/84/664636384.db2.gz LSIFOGPLMJPJGM-MNOVXSKESA-N 1 0 386.386 2.946 20 0 GFADRO C[C@H]1CN(S(=O)(=O)c2ccc(Cl)cc2Br)CC[C@H]1C[NH3+] ZINC000923701936 664636492 /nfs/dbraw/zinc/63/64/92/664636492.db2.gz JDVJHVJOYATGLZ-UWVGGRQHSA-N 1 0 381.723 2.708 20 0 GFADRO CCC1([NH+]2CCC2)CCN(C(=O)c2c(Cl)cccc2S(C)(=O)=O)CC1 ZINC000924381461 664654556 /nfs/dbraw/zinc/65/45/56/664654556.db2.gz IMJFINCTTMFYRG-UHFFFAOYSA-N 1 0 384.929 2.834 20 0 GFADRO O=S1(=O)CC[C@H](C[NH2+][C@@H](c2ccc(Br)cc2)c2cccnc2)C1 ZINC000924599954 664658833 /nfs/dbraw/zinc/65/88/33/664658833.db2.gz PGBNWIMBZLKEMQ-DYVFJYSZSA-N 1 0 395.322 2.958 20 0 GFADRO C[C@@H](NC[C@H](O)C[N@@H+]1CCc2ccccc2C1)c1cccc(Br)n1 ZINC000924641746 664659178 /nfs/dbraw/zinc/65/91/78/664659178.db2.gz GMTYERODEUKDHW-PBHICJAKSA-N 1 0 390.325 2.914 20 0 GFADRO CN(C)c1cc[nH+]c(CNC(=O)N[C@@H](CO)c2cccc(Cl)c2Cl)c1 ZINC000924676326 664659353 /nfs/dbraw/zinc/65/93/53/664659353.db2.gz XLYYEEOOBQGNEQ-HNNXBMFYSA-N 1 0 383.279 2.987 20 0 GFADRO O=C(NCC[NH2+][C@H](C1CCC1)[C@@H]1CCOC1)c1ccc(Br)cc1 ZINC000924732078 664660405 /nfs/dbraw/zinc/66/04/05/664660405.db2.gz WHGONWUKYNVSQE-NVXWUHKLSA-N 1 0 381.314 2.974 20 0 GFADRO Brc1cc(C[NH2+][C@H]2CCOC23CCOCC3)cc2c1OCCO2 ZINC000924840849 664662626 /nfs/dbraw/zinc/66/26/26/664662626.db2.gz CNDOORPISAFPNB-HNNXBMFYSA-N 1 0 384.270 2.648 20 0 GFADRO C[N@@H+]1C[C@@H](O)C[C@H]1CNC(=O)CCSc1ccnc2cc(Cl)ccc21 ZINC000924986040 664664699 /nfs/dbraw/zinc/66/46/99/664664699.db2.gz GMGAYAXSXGSPIM-KBPBESRZSA-N 1 0 379.913 2.552 20 0 GFADRO COc1ccc(Br)c(C(=O)NCCC[NH2+][C@@H](C)c2ccnnc2)c1 ZINC000925015689 664665198 /nfs/dbraw/zinc/66/51/98/664665198.db2.gz LMZQTDXSURTPEO-LBPRGKRZSA-N 1 0 393.285 2.718 20 0 GFADRO COc1ccc(Br)c(C(=O)NCCC[NH2+][C@@H](C)C(C)(C)CO)c1 ZINC000925017953 664665376 /nfs/dbraw/zinc/66/53/76/664665376.db2.gz VQKYTIIZDPLAIN-LBPRGKRZSA-N 1 0 387.318 2.574 20 0 GFADRO O=C(N[C@H](CCO)c1ccc(Cl)cc1)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000925164713 664667685 /nfs/dbraw/zinc/66/76/85/664667685.db2.gz PWBBDBCXLVLBPP-BRWVUGGUSA-N 1 0 383.945 2.643 20 0 GFADRO C[C@@H]([NH2+]C1CCN(S(=O)(=O)c2ccccc2)CC1)C1(Br)CC1 ZINC000925183742 664668308 /nfs/dbraw/zinc/66/83/08/664668308.db2.gz ZSEFBVCWSWTAFF-CYBMUJFWSA-N 1 0 387.343 2.745 20 0 GFADRO CC(C)N1C(=O)N(C[C@@H]2CC[N@@H+]2C)C(=O)[C@H]1c1ccc(Br)cc1 ZINC000925195246 664668431 /nfs/dbraw/zinc/66/84/31/664668431.db2.gz HPOVGAOMQUCEOG-LSDHHAIUSA-N 1 0 380.286 2.867 20 0 GFADRO CN(C[C@@H]1CC[N@H+](C)C1)C(=O)N[C@H]1CCOc2ccc(Br)cc21 ZINC000925273292 664669653 /nfs/dbraw/zinc/66/96/53/664669653.db2.gz DLHLILHCCZBQTR-DOMZBBRYSA-N 1 0 382.302 2.866 20 0 GFADRO C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)Cc1cccnc1Br ZINC000925484844 664672688 /nfs/dbraw/zinc/67/26/88/664672688.db2.gz ITPHENUPPQTETI-CYBMUJFWSA-N 1 0 375.270 2.519 20 0 GFADRO CS(=O)(=O)N1CC[C@@H](C[NH2+]C(CCC(F)(F)F)CCC(F)(F)F)C1 ZINC000925622992 664673588 /nfs/dbraw/zinc/67/35/88/664673588.db2.gz NXBQFELRGIVOPK-JTQLQIEISA-N 1 0 384.386 2.911 20 0 GFADRO CCC1([NH3+])CCN([C@@H](C)c2cc(S(N)(=O)=O)c(Cl)cc2Cl)CC1 ZINC000925760993 664674394 /nfs/dbraw/zinc/67/43/94/664674394.db2.gz WJGWDJZENDSVCJ-JTQLQIEISA-N 1 0 380.341 2.905 20 0 GFADRO CC(C)[C@H]([NH2+]CC[C@H]1CNCCS1(=O)=O)c1ccc(C(F)(F)F)cc1 ZINC000925791389 664674921 /nfs/dbraw/zinc/67/49/21/664674921.db2.gz GEMBIVVCSRKHKY-HOTGVXAUSA-N 1 0 378.460 2.769 20 0 GFADRO O=S1(=O)CCNC[C@H]1CC[NH2+][C@@H](c1ccc(Cl)c(Cl)c1)C1CC1 ZINC000925799777 664675073 /nfs/dbraw/zinc/67/50/73/664675073.db2.gz SZFLISWOCIXFKS-CZUORRHYSA-N 1 0 377.337 2.811 20 0 GFADRO Cn1cc(CN[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c(Br)n1 ZINC000925806473 664675103 /nfs/dbraw/zinc/67/51/03/664675103.db2.gz QFDUWUDIPQQFDE-YOEHRIQHSA-N 1 0 377.286 2.528 20 0 GFADRO CC[C@@H]1CN(S(=O)(=O)C(C)C)CC[C@H]1[NH2+][C@H](C)C1(Br)CC1 ZINC000925885099 664676721 /nfs/dbraw/zinc/67/67/21/664676721.db2.gz RIZLXCLACACFIJ-MGPQQGTHSA-N 1 0 381.380 2.731 20 0 GFADRO COc1cc(Br)c(NC(=O)N2C[C@@H](C)[C@H](CC[NH3+])C2)cc1OC ZINC000925973012 664678478 /nfs/dbraw/zinc/67/84/78/664678478.db2.gz LBCOTXHRKZITJB-GHMZBOCLSA-N 1 0 386.290 2.915 20 0 GFADRO CCOC(=O)c1sc(NC(=O)N2CC[C@@H](C(F)(F)F)[C@H]([NH3+])C2)cc1C ZINC000925992814 664678784 /nfs/dbraw/zinc/67/87/84/664678784.db2.gz KCGHBJGWPHRNAQ-NXEZZACHSA-N 1 0 379.404 2.977 20 0 GFADRO COC(=O)c1c(C)c(NC(=O)N2CC[C@@H](CC[NH3+])C2)ccc1Br ZINC000926103985 664681747 /nfs/dbraw/zinc/68/17/47/664681747.db2.gz BPEUTCHWKBYUCG-LLVKDONJSA-N 1 0 384.274 2.747 20 0 GFADRO [NH3+]C1CCN(CCNC(=O)Nc2cc(F)c(Br)c(Cl)c2)CC1 ZINC000926114325 664682119 /nfs/dbraw/zinc/68/21/19/664682119.db2.gz DRVLWFAOPVKJGM-UHFFFAOYSA-N 1 0 393.688 2.786 20 0 GFADRO [NH3+][C@@H]1CN(C(=O)N[C@@H](c2nccs2)C(F)(F)F)CC[C@@H]1C(F)(F)F ZINC000926127322 664682358 /nfs/dbraw/zinc/68/23/58/664682358.db2.gz WYZFLBZOCACSLT-RNJXMRFFSA-N 1 0 376.326 2.668 20 0 GFADRO O=C(Nc1nc(CC(F)(F)F)cs1)N[C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000926129752 664682372 /nfs/dbraw/zinc/68/23/72/664682372.db2.gz GCMWSRMHPDIXPO-SNVBAGLBSA-N 1 0 378.420 2.528 20 0 GFADRO CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NC(=O)c1ccsc1C(F)(F)F)C2 ZINC000926137274 664682824 /nfs/dbraw/zinc/68/28/24/664682824.db2.gz CAJIPKZYYVWEIT-NFFDBFGFSA-N 1 0 376.444 2.976 20 0 GFADRO [NH3+]C[C@H](NC(=O)N1CCC[C@H]1c1cncc(Br)c1)C(F)(F)F ZINC000926169977 664683648 /nfs/dbraw/zinc/68/36/48/664683648.db2.gz QKDAHFFZSLIRCM-QWRGUYRKSA-N 1 0 381.196 2.580 20 0 GFADRO CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)c1ccc(Br)s1)C2 ZINC000926190056 664684414 /nfs/dbraw/zinc/68/44/14/664684414.db2.gz QPUNVAYGBIEXQU-XYJYNPGVSA-N 1 0 387.343 2.720 20 0 GFADRO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NC(=O)C[C@]3(C)CC3(Cl)Cl)C2)[C@@H]1C(C)C ZINC000926238179 664684967 /nfs/dbraw/zinc/68/49/67/664684967.db2.gz WQIJNWYSSIOPEB-GJVDQKBNSA-N 1 0 377.356 2.946 20 0 GFADRO CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NC(=O)c3ccc(Br)o3)C2)[C@@H]1C(C)C ZINC000926263524 664685792 /nfs/dbraw/zinc/68/57/92/664685792.db2.gz SAUIFGVAWHVAQD-BKBUGSPTSA-N 1 0 385.302 2.642 20 0 GFADRO CCS(=O)(=O)c1ccc(C[NH2+]C2CC(CNC(=O)OC(C)(C)C)C2)s1 ZINC000926327081 664687808 /nfs/dbraw/zinc/68/78/08/664687808.db2.gz VOQSSAJCNVXDRN-UHFFFAOYSA-N 1 0 388.555 2.935 20 0 GFADRO O=S(=O)(NCC[NH2+][C@@H](C1CCC1)[C@@H]1CCOC1)c1ccc(F)cc1Cl ZINC000926370372 664688975 /nfs/dbraw/zinc/68/89/75/664688975.db2.gz RFJHMAZBOZKFSE-DYVFJYSZSA-N 1 0 390.908 2.552 20 0 GFADRO C[C@@H]([NH2+]C[C@H](N1CCOCC1)C(F)(F)F)c1cccc(Br)n1 ZINC000926419400 664689779 /nfs/dbraw/zinc/68/97/79/664689779.db2.gz UIHDKYONNIFXKM-PWSUYJOCSA-N 1 0 382.224 2.758 20 0 GFADRO C[C@@H]([NH2+]Cc1ccc(OC(F)F)cc1F)C1CCN(S(C)(=O)=O)CC1 ZINC000926802385 664696762 /nfs/dbraw/zinc/69/67/62/664696762.db2.gz UUHDMUYGLVYBPZ-LLVKDONJSA-N 1 0 380.432 2.577 20 0 GFADRO CCO[C@@H](CNC(=O)N(C)Cc1ccc(Br)c(F)c1)C[NH+](C)C ZINC000926841821 664697602 /nfs/dbraw/zinc/69/76/02/664697602.db2.gz MGPOYTMTDKSRHK-ZDUSSCGKSA-N 1 0 390.297 2.696 20 0 GFADRO CCO[C@H](CNC(=O)N1CC[C@H]1c1ccc(Br)cc1)C[NH+](C)C ZINC000926844640 664697801 /nfs/dbraw/zinc/69/78/01/664697801.db2.gz AHSAUCAYRYRMCB-CVEARBPZSA-N 1 0 384.318 2.872 20 0 GFADRO CNS(=O)(=O)c1cccc([C@H](C)[NH2+]CC[C@@H]2CC[C@@H](C(F)(F)F)O2)c1 ZINC000926911558 664699170 /nfs/dbraw/zinc/69/91/70/664699170.db2.gz MYXZFSQXDPLKIW-WHOFXGATSA-N 1 0 380.432 2.745 20 0 GFADRO CC[C@@H]([NH2+]C[C@@H]1C=C[C@H]2C[C@@H]1CO2)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000926937951 664699262 /nfs/dbraw/zinc/69/92/62/664699262.db2.gz ZUYMULJIYLTVNS-QSJFSLAZSA-N 1 0 384.929 2.880 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCc2nnn(C)c2C1)c1ccc(I)cc1 ZINC000927145298 664705084 /nfs/dbraw/zinc/70/50/84/664705084.db2.gz HSIOVIXCIQTNRI-GXFFZTMASA-N 1 0 382.249 2.628 20 0 GFADRO Brc1cnc(C2(NC3CC[NH+](C[C@@H]4CCCO4)CC3)CCC2)nc1 ZINC000927148433 664705287 /nfs/dbraw/zinc/70/52/87/664705287.db2.gz UNEALINDKKGENQ-INIZCTEOSA-N 1 0 395.345 2.851 20 0 GFADRO Cc1c(N2C(=O)N[C@H](C[NH+](C)C)C2=O)cc(Br)cc1C(F)(F)F ZINC000927764295 664715217 /nfs/dbraw/zinc/71/52/17/664715217.db2.gz XRMGRJKUFMOTHK-SNVBAGLBSA-N 1 0 394.191 2.763 20 0 GFADRO [NH3+][C@@H]1CN(C(=O)C(=O)Nc2cccc(C(F)F)c2Cl)C[C@H]1C(F)(F)F ZINC000927843724 664716547 /nfs/dbraw/zinc/71/65/47/664716547.db2.gz ZWQNIKVLENDGRH-HTQZYQBOSA-N 1 0 385.720 2.564 20 0 GFADRO [NH3+][C@@H]1CN(C(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)CC[C@@H]1C(F)(F)F ZINC000927847413 664716678 /nfs/dbraw/zinc/71/66/78/664716678.db2.gz ITHHVLGKJJGMPI-WDEREUQCSA-N 1 0 384.185 2.670 20 0 GFADRO [NH3+][C@@H]1CC[C@H](CNC(=O)C(=O)Nc2cc(Br)c3ccccc3c2)C1 ZINC000927929243 664717877 /nfs/dbraw/zinc/71/78/77/664717877.db2.gz MVBXMMSQDCQNEI-WCQYABFASA-N 1 0 390.281 2.784 20 0 GFADRO Cn1ncc(Br)c1CC(=O)NC1CCC(C)([NH+]2CCCC2)CC1 ZINC000928013052 664719719 /nfs/dbraw/zinc/71/97/19/664719719.db2.gz RCGSECUCXMEEIR-UHFFFAOYSA-N 1 0 383.334 2.638 20 0 GFADRO Cc1sc(CC(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@@H]23)nc1-c1ccco1 ZINC000928082969 664722079 /nfs/dbraw/zinc/72/20/79/664722079.db2.gz YFRPUZZLEHPRTK-KGLIPLIRSA-N 1 0 377.535 2.950 20 0 GFADRO Cc1sc(CC(=O)N[C@H]2CCC[N@@H+]3CCSC[C@@H]23)nc1-c1ccco1 ZINC000928082967 664722139 /nfs/dbraw/zinc/72/21/39/664722139.db2.gz YFRPUZZLEHPRTK-KBPBESRZSA-N 1 0 377.535 2.950 20 0 GFADRO Cc1cc(C(=O)N[C@H]2CCC[N@@H+]3CCSC[C@H]23)c(C)n1-c1nccs1 ZINC000928093018 664722705 /nfs/dbraw/zinc/72/27/05/664722705.db2.gz JOMLSIUNUYBARB-JKSUJKDBSA-N 1 0 376.551 2.860 20 0 GFADRO Cc1cc(I)ccc1NC(=O)N1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000929147486 664747110 /nfs/dbraw/zinc/74/71/10/664747110.db2.gz OCUNZJINUOLUFH-SMDDNHRTSA-N 1 0 385.249 2.767 20 0 GFADRO C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)C[C@H]1CCC[C@@H](C(F)(F)F)O1 ZINC000929227410 664748610 /nfs/dbraw/zinc/74/86/10/664748610.db2.gz FTGXWJKAMZVHBK-KYOSRNDESA-N 1 0 380.432 2.827 20 0 GFADRO FC(F)(F)COCCC[NH+]1CCN(C[C@H]2CC[C@@H](C(F)(F)F)O2)CC1 ZINC000929346338 664750730 /nfs/dbraw/zinc/75/07/30/664750730.db2.gz APVBTZDBOGWLRD-OLZOCXBDSA-N 1 0 378.357 2.683 20 0 GFADRO CCC[NH+]1CCC(NC(=O)C[C@@H]2C(=O)Nc3c2cccc3Br)CC1 ZINC000929407522 664751819 /nfs/dbraw/zinc/75/18/19/664751819.db2.gz INUIYCMAQZNNOD-AWEZNQCLSA-N 1 0 394.313 2.866 20 0 GFADRO CC(C)[NH+]1CCC(NC(=O)c2cc3cc(Br)cnc3n2C)CC1 ZINC000929434178 664752327 /nfs/dbraw/zinc/75/23/27/664752327.db2.gz BMZYUURJEXRICD-UHFFFAOYSA-N 1 0 379.302 2.938 20 0 GFADRO CC(C)[NH+]1CCC(NC(=O)[C@@](C)(O)c2ccc(F)c(Br)c2)CC1 ZINC000929435221 664752490 /nfs/dbraw/zinc/75/24/90/664752490.db2.gz LFOQMIJYDZUWPZ-KRWDZBQOSA-N 1 0 387.293 2.785 20 0 GFADRO COc1cccc([C@H](CNC(=O)c2cc(=O)[nH]cc2Br)[NH+](C)C)c1 ZINC000929467031 664752962 /nfs/dbraw/zinc/75/29/62/664752962.db2.gz JRSLYGIVNNSTRL-HNNXBMFYSA-N 1 0 394.269 2.591 20 0 GFADRO O=C(NCC[NH+]1CCC(O)CC1)Nc1ccccc1SCC(F)(F)F ZINC000929483120 664753208 /nfs/dbraw/zinc/75/32/08/664753208.db2.gz ZTHPTYVYCDZVSZ-UHFFFAOYSA-N 1 0 377.432 2.919 20 0 GFADRO Cc1ccc(NC(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)cc1Br ZINC000929503551 664753436 /nfs/dbraw/zinc/75/34/36/664753436.db2.gz JHFJCXAWUYGTBY-JKSUJKDBSA-N 1 0 382.302 2.820 20 0 GFADRO CCOC(=O)[C@@H](c1nc(Br)sc1C)N1CC[C@H](C[NH+](C)C)C1 ZINC000929637603 664755376 /nfs/dbraw/zinc/75/53/76/664755376.db2.gz LDPQRUXAPFEJBF-DGCLKSJQSA-N 1 0 390.347 2.702 20 0 GFADRO CC(C)(C)[NH2+]CCC(=O)NCc1nnc2c(Cl)cc(C(F)(F)F)cn12 ZINC000929705769 664756466 /nfs/dbraw/zinc/75/64/66/664756466.db2.gz WKBRNXSZVYSJQC-UHFFFAOYSA-N 1 0 377.798 2.796 20 0 GFADRO CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@H+](C[C@@](O)(CC)C(F)(F)F)C1 ZINC000929721354 664756550 /nfs/dbraw/zinc/75/65/50/664756550.db2.gz RORNIPCJFPVJQC-AAEUAGOBSA-N 1 0 378.357 2.813 20 0 GFADRO Brc1cccc(C2([NH2+]C[C@@H]3CCC4(COC4)O3)CCOCC2)c1 ZINC000929895771 664759302 /nfs/dbraw/zinc/75/93/02/664759302.db2.gz VLCCBOLFGRCXLI-INIZCTEOSA-N 1 0 382.298 2.992 20 0 GFADRO O=C(Nc1ccc(-c2csnn2)cc1)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000929939879 664760104 /nfs/dbraw/zinc/76/01/04/664760104.db2.gz CJIUWMZUZOKLKT-ZBFHGGJFSA-N 1 0 375.523 2.906 20 0 GFADRO COc1ccc(Br)c(NC(=O)NC[C@H]2CC[N@@H+]2C2CCOCC2)c1 ZINC000930076816 664762275 /nfs/dbraw/zinc/76/22/75/664762275.db2.gz PTRVYUMIMZWCIK-CYBMUJFWSA-N 1 0 398.301 2.833 20 0 GFADRO CS(=O)(=O)N1CC(C[NH+]2CCC(c3ccc(C(F)(F)F)cc3)CC2)C1 ZINC000930179179 664763945 /nfs/dbraw/zinc/76/39/45/664763945.db2.gz HFWSOQBXGLFTPB-UHFFFAOYSA-N 1 0 376.444 2.776 20 0 GFADRO CC[C@H]([NH2+]C[C@H]1CCC[C@@H](C(F)(F)F)O1)c1cccc(S(N)(=O)=O)c1 ZINC000930216987 664764716 /nfs/dbraw/zinc/76/47/16/664764716.db2.gz QDBUXZDUKJHVGT-SNPRPXQTSA-N 1 0 380.432 2.875 20 0 GFADRO CN1CCN(C(=O)Nc2ccc(Cl)c(Br)c2)CC[N@H+](C)CC1 ZINC000930329663 664767297 /nfs/dbraw/zinc/76/72/97/664767297.db2.gz IDUULWFREYAKKN-UHFFFAOYSA-N 1 0 389.725 2.814 20 0 GFADRO COCC[C@H]([NH2+]C[C@@H](O)C[C@@]1(O)CCOC1)c1ccc(Cl)c(Cl)c1 ZINC000930370652 664768511 /nfs/dbraw/zinc/76/85/11/664768511.db2.gz PBFQJZTXOKGEGQ-JQFCIGGWSA-N 1 0 378.296 2.563 20 0 GFADRO Cc1cc(Br)cc(NC(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)c1 ZINC000930945134 664781630 /nfs/dbraw/zinc/78/16/30/664781630.db2.gz SQEJWOPDQGQMSF-CVEARBPZSA-N 1 0 382.302 2.820 20 0 GFADRO COc1cc(CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)cc(Br)c1OC ZINC000931318450 664791388 /nfs/dbraw/zinc/79/13/88/664791388.db2.gz TZCRUAAPPJVHJG-AWEZNQCLSA-N 1 0 385.302 2.955 20 0 GFADRO Cc1cnc(Br)c(NC(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@H]23)c1 ZINC000931507886 664796743 /nfs/dbraw/zinc/79/67/43/664796743.db2.gz ALPVHXUEEMPVRE-DGCLKSJQSA-N 1 0 385.331 2.854 20 0 GFADRO CS(C)(=O)=Nc1ccc(NC(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@H]23)cc1 ZINC000931536823 664797796 /nfs/dbraw/zinc/79/77/96/664797796.db2.gz XMIVAKFOHXJJSY-HZPDHXFCSA-N 1 0 382.555 2.747 20 0 GFADRO Cc1csc([C@H](NC(=O)N[C@H]2CCC[N@@H+]3CCSC[C@@H]23)C(F)(F)F)n1 ZINC000931581134 664799767 /nfs/dbraw/zinc/79/97/67/664799767.db2.gz RYANOHQMXYMTPP-SRVKXCTJSA-N 1 0 394.488 2.934 20 0 GFADRO CCOC(=O)c1nc(NC(=O)NCC[C@@H](C)[NH+](C)C)sc1C(F)(F)F ZINC000931596333 664800482 /nfs/dbraw/zinc/80/04/82/664800482.db2.gz WDWYGTMSIXODPD-MRVPVSSYSA-N 1 0 382.408 2.800 20 0 GFADRO O[C@@H](C[NH2+]C1(c2cc(Cl)cc(Br)c2)CC1)C[C@]1(O)CCOC1 ZINC000931697803 664803028 /nfs/dbraw/zinc/80/30/28/664803028.db2.gz NOLGTVZCBIYERU-HUUCEWRRSA-N 1 0 390.705 2.584 20 0 GFADRO Cc1cc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](C3OCCO3)C2)ccc1Br ZINC000932001291 664808537 /nfs/dbraw/zinc/80/85/37/664808537.db2.gz AVKBMWHEIPHJIH-QWHCGFSZSA-N 1 0 383.286 2.779 20 0 GFADRO O=C(c1ccc2c(Br)cnn2c1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000932273131 664817677 /nfs/dbraw/zinc/81/76/77/664817677.db2.gz NIMNKXPOZCRERV-AWEZNQCLSA-N 1 0 377.286 2.797 20 0 GFADRO CN(C(=O)c1cc(Br)c2nccnc2c1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000932547109 664825158 /nfs/dbraw/zinc/82/51/58/664825158.db2.gz CLCMRSUFJHICNH-CYBMUJFWSA-N 1 0 375.270 2.701 20 0 GFADRO Cc1ccc(Br)c(C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)n1 ZINC000932697117 664832245 /nfs/dbraw/zinc/83/22/45/664832245.db2.gz HYKATKTYANWATA-CQSZACIVSA-N 1 0 382.302 2.526 20 0 GFADRO CC(C)[C@H](C[NH+](C)C)NC(=O)c1cc(Br)cnc1Br ZINC000932713540 664832761 /nfs/dbraw/zinc/83/27/61/664832761.db2.gz MOAHIGRXHNMTOW-NSHDSACASA-N 1 0 393.123 2.923 20 0 GFADRO C[NH+](C)CC1CCN(C(=O)[C@](C)(O)c2ccc(F)c(Br)c2)CC1 ZINC000932714052 664832766 /nfs/dbraw/zinc/83/27/66/664832766.db2.gz ZEDOUMOKGBZJIC-QGZVFWFLSA-N 1 0 387.293 2.596 20 0 GFADRO O=C1N[C@H](C2CC[NH+](C[C@H](O)COc3cc(Cl)ccc3Cl)CC2)CO1 ZINC000932785904 664838540 /nfs/dbraw/zinc/83/85/40/664838540.db2.gz ZPTSPCXLWPNPOR-ZFWWWQNUSA-N 1 0 389.279 2.554 20 0 GFADRO CO[C@H](C[N@@H+]1CCC[C@](O)(c2ccc(Br)cc2)C1)[C@H]1CCOC1 ZINC000932815852 664839927 /nfs/dbraw/zinc/83/99/27/664839927.db2.gz RNBCQWXAMPPUGI-BMGDILEWSA-N 1 0 384.314 2.784 20 0 GFADRO O[C@@H](C[N@@H+]1CCC[C@](O)(c2ccc(Br)cc2)C1)c1ccccn1 ZINC000932815145 664839941 /nfs/dbraw/zinc/83/99/41/664839941.db2.gz MOKXJJBCCQSZFY-ZWKOTPCHSA-N 1 0 377.282 2.861 20 0 GFADRO O=C1CC[C@H](C[N@H+]2CCC[C@](O)(c3ccc(Br)cc3)C2)CCN1 ZINC000932815760 664839952 /nfs/dbraw/zinc/83/99/52/664839952.db2.gz QJSNLFPEOZLZRE-KBXCAEBGSA-N 1 0 381.314 2.649 20 0 GFADRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)c1cc(Br)c2nccnc2c1 ZINC000932908406 664842850 /nfs/dbraw/zinc/84/28/50/664842850.db2.gz SKWMBEJORPRWMB-GFCCVEGCSA-N 1 0 377.286 2.806 20 0 GFADRO CN(CCCC[NH+](C)C)C(=O)[C@](C)(O)c1ccc(F)c(Br)c1 ZINC000933213750 664852864 /nfs/dbraw/zinc/85/28/64/664852864.db2.gz LDFLINWYDJADFI-MRXNPFEDSA-N 1 0 375.282 2.596 20 0 GFADRO C[C@H]1C[C@H](N(C)C(=O)c2cc3cc(Br)cnc3n2C)CC[N@@H+]1C ZINC000933438710 664864266 /nfs/dbraw/zinc/86/42/66/664864266.db2.gz BQEHZFQXCITFHF-SMDDNHRTSA-N 1 0 379.302 2.891 20 0 GFADRO C[C@](CO)(Cc1ccc(Cl)cc1)[NH2+]CCS(=O)(=O)Cc1ccccc1 ZINC000933443420 664864817 /nfs/dbraw/zinc/86/48/17/664864817.db2.gz RLSOEGXPQGIFSR-LJQANCHMSA-N 1 0 381.925 2.838 20 0 GFADRO C[C@H]1C[C@@H](NC(=O)c2cc(Br)cnc2Br)CC[N@@H+]1C ZINC000933490607 664866613 /nfs/dbraw/zinc/86/66/13/664866613.db2.gz BJWMADBYMNLQGP-WPRPVWTQSA-N 1 0 391.107 2.819 20 0 GFADRO CN(C(=O)c1cc2ccc(Br)cc2c(=O)o1)[C@H]1CCC[N@H+](C)C1 ZINC000933486416 664866708 /nfs/dbraw/zinc/86/67/08/664866708.db2.gz PRARJUDCEVZBBE-ZDUSSCGKSA-N 1 0 379.254 2.722 20 0 GFADRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)c2ncc(Br)cn2)C1 ZINC000933693209 664873559 /nfs/dbraw/zinc/87/35/59/664873559.db2.gz GLHPGPKQHSHCOW-OAHLLOKOSA-N 1 0 375.270 2.586 20 0 GFADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@](C)(O)c2ccc(F)c(Br)c2)C1 ZINC000933799152 664878414 /nfs/dbraw/zinc/87/84/14/664878414.db2.gz WIDQPABZAPYDEV-YVEFUNNKSA-N 1 0 387.293 2.596 20 0 GFADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc3cc(Br)cnc3n2C)C1 ZINC000933799426 664878641 /nfs/dbraw/zinc/87/86/41/664878641.db2.gz XGMFHKVVDDDEMP-LBPRGKRZSA-N 1 0 379.302 2.750 20 0 GFADRO CCOC(=O)C1([C@H](C)[NH2+]Cc2ncc(Br)cc2F)CCOCC1 ZINC000933876247 664879623 /nfs/dbraw/zinc/87/96/23/664879623.db2.gz IGXCXFOKCSPDJE-NSHDSACASA-N 1 0 389.265 2.821 20 0 GFADRO Cn1cc([C@@H]2CSCCC[N@@H+]2C[C@H](O)COc2ccc(Cl)cc2)cn1 ZINC000933977492 664883333 /nfs/dbraw/zinc/88/33/33/664883333.db2.gz BOKGZXDSMZTQEE-WMZOPIPTSA-N 1 0 381.929 2.993 20 0 GFADRO CN1CCN(Cc2noc(-c3cccc(Cl)c3Cl)n2)CC[N@H+](C)CC1 ZINC000933994427 664886360 /nfs/dbraw/zinc/88/63/60/664886360.db2.gz WICQGDZGEQNOIK-UHFFFAOYSA-N 1 0 384.311 2.723 20 0 GFADRO CO[C@@H]1CCOC[C@H]1[NH2+]C[C@@](C)(O)c1ccc(Br)cc1Cl ZINC000934036054 664888399 /nfs/dbraw/zinc/88/83/99/664888399.db2.gz YRPOPYKGTGAOJT-RBSFLKMASA-N 1 0 378.694 2.704 20 0 GFADRO O=C1CC[N@H+](Cc2nc(-c3cccc(Br)c3)no2)CCCCCN1 ZINC000934164947 664891407 /nfs/dbraw/zinc/89/14/07/664891407.db2.gz ZHIIPTNDSHZYFQ-UHFFFAOYSA-N 1 0 393.285 2.991 20 0 GFADRO Cc1c(Br)cncc1NC(=O)NC[C@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000934247267 664893638 /nfs/dbraw/zinc/89/36/38/664893638.db2.gz ILMSOOHSABNEGH-MRXNPFEDSA-N 1 0 398.349 2.546 20 0 GFADRO CC(C)CC[NH+]1CCC(CNC(=O)c2cc(=O)n(C)cc2Br)CC1 ZINC000934300711 664898098 /nfs/dbraw/zinc/89/80/98/664898098.db2.gz QCUYMFJMNSNZFH-UHFFFAOYSA-N 1 0 398.345 2.636 20 0 GFADRO Cc1cc2c(cc1Br)N(C(=O)COC1CC[NH+](C)CC1)C[C@@H](C)O2 ZINC000934329352 664899492 /nfs/dbraw/zinc/89/94/92/664899492.db2.gz ZNNVNEYJVKPFAN-CYBMUJFWSA-N 1 0 397.313 2.982 20 0 GFADRO Cn1cc(Br)cc(NC(=O)c2ccc(C[NH+]3CCCCC3)o2)c1=O ZINC000934332602 664899692 /nfs/dbraw/zinc/89/96/92/664899692.db2.gz KRMCCSPCNFRXBS-UHFFFAOYSA-N 1 0 394.269 2.979 20 0 GFADRO O=S(=O)(CC[NH2+][C@@H]1CCOC12CCOCC2)c1cc(Cl)ccc1Cl ZINC000934410134 664906134 /nfs/dbraw/zinc/90/61/34/664906134.db2.gz UOHQXJKJFUODHD-OAHLLOKOSA-N 1 0 394.320 2.695 20 0 GFADRO Cn1cc(NC(=O)c2ccc(C[NH+]3CCCCC3)o2)cc(Br)c1=O ZINC000934488687 664908000 /nfs/dbraw/zinc/90/80/00/664908000.db2.gz MRVUHXMMBIHUCA-UHFFFAOYSA-N 1 0 394.269 2.979 20 0 GFADRO C[C@@](CO)([NH2+]C[C@H]1CCC2(CCOCC2)O1)c1cccc(Br)c1 ZINC000934492779 664908341 /nfs/dbraw/zinc/90/83/41/664908341.db2.gz GIVHMOZPCMTCOD-SJORKVTESA-N 1 0 384.314 2.974 20 0 GFADRO Cc1ccc(Br)c(C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)n1 ZINC000934915750 664930078 /nfs/dbraw/zinc/93/00/78/664930078.db2.gz ZYVARFNPTVNCNQ-HOTGVXAUSA-N 1 0 396.329 2.650 20 0 GFADRO C[NH+](C)CCCC1CCN(C(=O)c2cc(Br)cn3ncnc23)CC1 ZINC000935174062 664944466 /nfs/dbraw/zinc/94/44/66/664944466.db2.gz YXCBJXAIUCVSJJ-UHFFFAOYSA-N 1 0 394.317 2.686 20 0 GFADRO CN1CC[NH+](CC2(C)CCN(C(=O)c3cc(C=O)sc3Cl)CC2)CC1 ZINC000935370815 664957509 /nfs/dbraw/zinc/95/75/09/664957509.db2.gz XENLAEHXFGEXQS-UHFFFAOYSA-N 1 0 383.945 2.704 20 0 GFADRO CC1=CC[N@H+](CCNC(=O)C[C@@H]2C(=O)Nc3ccc(Br)cc32)CC1 ZINC000935395542 664958984 /nfs/dbraw/zinc/95/89/84/664958984.db2.gz KNAMHFPYZPRAHG-HNNXBMFYSA-N 1 0 392.297 2.643 20 0 GFADRO C[C@@](O)(C(=O)NCC1CC[NH+](C2CC2)CC1)c1ccc(F)c(Br)c1 ZINC000935681632 664980807 /nfs/dbraw/zinc/98/08/07/664980807.db2.gz WIKIOZNOXJKXFW-SFHVURJKSA-N 1 0 399.304 2.786 20 0 GFADRO Cc1cc(I)cc(NC(=O)COC2CC[NH+](C)CC2)c1 ZINC000935956472 665001093 /nfs/dbraw/zinc/00/10/93/665001093.db2.gz OYMCSOIEEOQRBG-UHFFFAOYSA-N 1 0 388.249 2.649 20 0 GFADRO CC(C)[N@@H+](C)C[C@H](C)NC(=O)C[C@@H]1C(=O)Nc2ccc(Br)cc21 ZINC000936029340 665005183 /nfs/dbraw/zinc/00/51/83/665005183.db2.gz ARWUFZBMTJAEIX-FZMZJTMJSA-N 1 0 382.302 2.720 20 0 GFADRO CSC1(CNC(=O)Cn2nc(C(F)F)cc2C(F)F)CC[NH+](C)CC1 ZINC000936042124 665005554 /nfs/dbraw/zinc/00/55/54/665005554.db2.gz KNDVQXLLVLXYHO-UHFFFAOYSA-N 1 0 382.427 2.702 20 0 GFADRO C[NH+]1CCC(OCC(=O)N[C@H]2C[C@H](c3ccc(Br)cc3)C2)CC1 ZINC000936068252 665007042 /nfs/dbraw/zinc/00/70/42/665007042.db2.gz JZJNFWMQPGDSSR-KOMQPUFPSA-N 1 0 381.314 2.922 20 0 GFADRO O=C(NC1CC2(C1)CC([NH2+]Cc1ncc(Cl)s1)C2)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000965230066 665014764 /nfs/dbraw/zinc/01/47/64/665014764.db2.gz MKGGJOPMGIGVAY-KZYYXZKGSA-N 1 0 381.929 2.881 20 0 GFADRO O=C([C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)N1CC[C@@H]([NH2+]Cc2ccccc2Br)C1 ZINC000969407937 665014904 /nfs/dbraw/zinc/01/49/04/665014904.db2.gz YKJNLJIHMUVDBR-KJFNJWSJSA-N 1 0 391.309 2.563 20 0 GFADRO C[C@@H]1CC[N@H+](CC(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2cscc2Cl)C3)C1 ZINC000997468070 665036493 /nfs/dbraw/zinc/03/64/93/665036493.db2.gz OZJAQETVSSVRGD-MPTQWLOMSA-N 1 0 381.929 2.605 20 0 GFADRO O=C(NCC1CC[NH+](CC[C@H]2CC2(Cl)Cl)CC1)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001001865872 665053051 /nfs/dbraw/zinc/05/30/51/665053051.db2.gz FOVZPVFYOPPGEI-JJXSEGSLSA-N 1 0 375.340 2.966 20 0 GFADRO C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccsc1Cl ZINC001003865124 665062328 /nfs/dbraw/zinc/06/23/28/665062328.db2.gz CRMDAMKODVGRED-RZFFKMDDSA-N 1 0 381.929 2.748 20 0 GFADRO CCO[C@H](CC[NH+](C)C)CNC(=O)Cc1ccc(Br)c(F)c1 ZINC000120508604 677396696 /nfs/dbraw/zinc/39/66/96/677396696.db2.gz RHAOYFUIZMOPAO-CYBMUJFWSA-N 1 0 375.282 2.604 20 0 GFADRO COc1c(Br)cc(Cl)cc1S(=O)(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000382530382 677406673 /nfs/dbraw/zinc/40/66/73/677406673.db2.gz WBBUYSBRLWRPHR-PSASIEDQSA-N 1 0 397.722 2.517 20 0 GFADRO C[C@H](C(=O)Nc1ccccc1Br)N1CCC([N@H+](C)CCCO)CC1 ZINC000115546515 677395339 /nfs/dbraw/zinc/39/53/39/677395339.db2.gz PTRNQYDPNVXOSA-CQSZACIVSA-N 1 0 398.345 2.555 20 0 GFADRO CS(=O)(=O)c1ccc([C@H](O)C[NH2+]Cc2ccsc2Br)cc1 ZINC000388383259 677408049 /nfs/dbraw/zinc/40/80/49/677408049.db2.gz VJIHEHUNHVJXBI-CYBMUJFWSA-N 1 0 390.324 2.737 20 0 GFADRO CC(C)[NH+]1CCC(Nc2cnn(CC(F)(F)F)c(=O)c2Br)CC1 ZINC000395702706 677411362 /nfs/dbraw/zinc/41/13/62/677411362.db2.gz BRBZQXYHDHDVEW-UHFFFAOYSA-N 1 0 397.239 2.853 20 0 GFADRO C[C@H]1CN(C(=O)Nc2nc3ccsc3s2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000534266453 677673283 /nfs/dbraw/zinc/67/32/83/677673283.db2.gz HBUQVALWLRYJRH-JSGCOSHPSA-N 1 0 379.555 2.848 20 0 GFADRO CSC[C@@H](CCO)[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000580311764 677674126 /nfs/dbraw/zinc/67/41/26/677674126.db2.gz PYZSYCSLCCAIRG-VXGBXAGGSA-N 1 0 398.750 2.546 20 0 GFADRO Fc1ccc2nc(C(F)(F)N3CCO[C@H]4C[NH2+]CC[C@H]4C3)nc(Cl)c2c1 ZINC001164403408 718862483 /nfs/dbraw/zinc/86/24/83/718862483.db2.gz NNCNCYSFCGEVRT-HZMBPMFUSA-N 1 0 386.805 2.782 20 0 GFADRO C[Si](C)(C)c1ccc(C(F)(F)N2CCO[C@H]3C[NH2+]CC[C@H]3C2)nc1Cl ZINC001164407143 718863262 /nfs/dbraw/zinc/86/32/62/718863262.db2.gz JIXHIMRNMLVZED-STQMWFEESA-N 1 0 389.950 2.640 20 0 GFADRO FC(F)(c1cc(Cl)nc(-c2cccnc2)n1)N1CCO[C@H]2C[NH2+]CC[C@H]2C1 ZINC001164409904 718863803 /nfs/dbraw/zinc/86/38/03/718863803.db2.gz VHNLTOPRLMHSKM-KBPBESRZSA-N 1 0 395.841 2.552 20 0 GFADRO CCOC(=O)C1CC[NH+](C2CCN(c3c[nH]c4ncnc(Cl)c34)CC2)CC1 ZINC001164614195 719022682 /nfs/dbraw/zinc/02/26/82/719022682.db2.gz PBMCBSNWUKUILN-UHFFFAOYSA-N 1 0 391.903 2.807 20 0 GFADRO CCOC(=O)C1CC[NH+](C2CCN(c3cc(-c4ncc[nH]4)ccn3)CC2)CC1 ZINC001164617537 719030246 /nfs/dbraw/zinc/03/02/46/719030246.db2.gz NZCFCKMGCAITCK-UHFFFAOYSA-N 1 0 383.496 2.716 20 0 GFADRO CCOC(=O)C1CC[NH+](C2CCN(c3c(Cl)nccc3OC)CC2)CC1 ZINC001164617171 719034167 /nfs/dbraw/zinc/03/41/67/719034167.db2.gz ISLKYGNLTYXEAZ-UHFFFAOYSA-N 1 0 381.904 2.988 20 0 GFADRO COC(=O)c1nc(Cl)ccc1C(F)(F)N1C[C@H](C2([NH3+])CC2)[C@H](CF)C1 ZINC001164629817 719117981 /nfs/dbraw/zinc/11/79/81/719117981.db2.gz TWOGJIYXWRCRQA-KOLCDFICSA-N 1 0 377.794 2.580 20 0 GFADRO O=C(CC1CC1)N[C@@H]1CN(c2ncccc2C[NH+]2CCCC2)C[C@@H]2CCCO[C@H]12 ZINC001164654608 719326521 /nfs/dbraw/zinc/32/65/21/719326521.db2.gz MAIQIFDDGHMCJL-DWLFOUALSA-N 1 0 398.551 2.578 20 0 GFADRO C[N@@H+]1CCO[C@@H]2CN(c3nc(-c4cccnc4)nc4sc5c(c43)CCC5)C[C@@H]21 ZINC000153174075 719443664 /nfs/dbraw/zinc/44/36/64/719443664.db2.gz QPYPJXTWPHTTPM-JKSUJKDBSA-N 1 0 393.516 2.761 20 0 GFADRO C[N@@H+]1CCO[C@@H]2CN(c3nc(-c4ccc(Cl)s4)nc4c3CCC4)C[C@@H]21 ZINC001164670738 719465362 /nfs/dbraw/zinc/46/53/62/719465362.db2.gz YDMNOVDDQGOURQ-UONOGXRCSA-N 1 0 376.913 2.866 20 0 GFADRO Cc1cc(-n2nc(CN(C)C(C)C)c3c2C[NH2+]CC3)nc(-c2ccccn2)n1 ZINC001164679780 719638739 /nfs/dbraw/zinc/63/87/39/719638739.db2.gz MVDGBPGPPBCZSL-UHFFFAOYSA-N 1 0 377.496 2.519 20 0 GFADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1nc(Cl)nc3ccc(F)cc31)CC2 ZINC001164683412 719702611 /nfs/dbraw/zinc/70/26/11/719702611.db2.gz KDDAUVURRRIVHP-UHFFFAOYSA-N 1 0 391.878 2.603 20 0 GFADRO Cc1nc(C[N@H+]2CCCC23CCN(c2ncnc4c2ncn4C)CC3)cs1 ZINC001164693950 719804651 /nfs/dbraw/zinc/80/46/51/719804651.db2.gz WAVVEMDKUCSADU-UHFFFAOYSA-N 1 0 383.525 2.763 20 0 GFADRO Nc1nc(Cl)cc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)n1 ZINC001164699750 719885467 /nfs/dbraw/zinc/88/54/67/719885467.db2.gz HXVMOMVJVOHVGY-UHFFFAOYSA-N 1 0 379.917 2.645 20 0 GFADRO CC(C)(c1ccnc(Cl)c1)[N@@H+]1C[C@@H]2COC[C@@H](C(=O)N3CCCCO3)[C@@H]2C1 ZINC001164703060 719925056 /nfs/dbraw/zinc/92/50/56/719925056.db2.gz ILTODZIOZREVKO-DJIMGWMZSA-N 1 0 393.915 2.719 20 0 GFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cc(Cl)ncc1C(=O)OC)C2 ZINC001164814840 720071440 /nfs/dbraw/zinc/07/14/40/720071440.db2.gz XDAAJRUKWRDRDS-YWZLYKJASA-N 1 0 393.915 2.706 20 0 GFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ncnc3nc(Cl)ccc31)C2 ZINC001164809784 720084193 /nfs/dbraw/zinc/08/41/93/720084193.db2.gz KGNOXMGEKGSUSL-YWZLYKJASA-N 1 0 387.915 2.863 20 0 GFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(Cl)nc3cccnc31)C2 ZINC001164813174 720089462 /nfs/dbraw/zinc/08/94/62/720089462.db2.gz SVCWDLVNPYBYCH-YWZLYKJASA-N 1 0 387.915 2.863 20 0 GFADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cnc3cc[nH]c3n1)CC2 ZINC001164709662 720094489 /nfs/dbraw/zinc/09/44/89/720094489.db2.gz BZNCYFSYRJZOBR-GOSISDBHSA-N 1 0 392.507 2.860 20 0 GFADRO COCc1cc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COC)nc(SC)n1 ZINC001164811056 720111704 /nfs/dbraw/zinc/11/17/04/720111704.db2.gz KRLQOTYJCJGLQO-UZLBHIALSA-N 1 0 392.569 2.530 20 0 GFADRO C=Cc1nc(Cl)nc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COC)c1OC ZINC001164815952 720158912 /nfs/dbraw/zinc/15/89/12/720158912.db2.gz JAFKIPNRPGIBRS-YWZLYKJASA-N 1 0 392.931 2.966 20 0 GFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ncnc(-c3cccc(F)c3)n1)C2 ZINC001164820190 720177512 /nfs/dbraw/zinc/17/75/12/720177512.db2.gz ZSHLKXQMWCMCDB-XMSQKQJNSA-N 1 0 397.498 2.862 20 0 GFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cc(N3CCC[C@@H](C)C3)ncn1)C2 ZINC001164815627 720185245 /nfs/dbraw/zinc/18/52/45/720185245.db2.gz IPOXIRDOAKTCNP-RFWXGWTQSA-N 1 0 399.583 2.898 20 0 GFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ccnc(-c3nccs3)n1)C2 ZINC001164813987 720202411 /nfs/dbraw/zinc/20/24/11/720202411.db2.gz RNDSAOZWLMTMBU-JXFKEZNVSA-N 1 0 385.537 2.785 20 0 GFADRO Cc1nc(N2CCCn3c(=O)cc(C[N@@H+](C)C(C)C)nc3C2)ccc1Cl ZINC001164813537 720218978 /nfs/dbraw/zinc/21/89/78/720218978.db2.gz NWJQWHAUCNIUCI-UHFFFAOYSA-N 1 0 375.904 2.851 20 0 GFADRO Cc1cc2c(ccnc2N2CCCn3c(=O)cc(C[N@@H+](C)C(C)C)nc3C2)o1 ZINC001164813891 720240375 /nfs/dbraw/zinc/24/03/75/720240375.db2.gz QWRGTIDIBFIMDO-UHFFFAOYSA-N 1 0 381.480 2.943 20 0 GFADRO Cc1nc2sccc2c(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164816942 720286285 /nfs/dbraw/zinc/28/62/85/720286285.db2.gz ACHLFUREYAMOJG-ZWKOTPCHSA-N 1 0 399.564 2.911 20 0 GFADRO Cc1ccc(Cl)nc1N1CC[C@@H]2[C@@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164819131 720288209 /nfs/dbraw/zinc/28/82/09/720288209.db2.gz PQTSIOIHGRYPER-DLBZAZTESA-N 1 0 376.932 2.955 20 0 GFADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2ccc(C(C)(C)C)nn2)CC1 ZINC001164821570 720340305 /nfs/dbraw/zinc/34/03/05/720340305.db2.gz BFIJGJKLSKVURB-ZWKOTPCHSA-N 1 0 385.556 2.686 20 0 GFADRO Cc1cc2ccncc2nc1N1CC[C@@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164821572 720347992 /nfs/dbraw/zinc/34/79/92/720347992.db2.gz BFZSGLRAKJQURR-NHCUHLMSSA-N 1 0 393.535 2.850 20 0 GFADRO Cc1cc2cccnc2c(N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164826047 720348215 /nfs/dbraw/zinc/34/82/15/720348215.db2.gz KCZYBTDUQNBQBN-WOJBJXKFSA-N 1 0 393.535 2.850 20 0 GFADRO CCOc1ccc(C(=O)OC)c(N2CC[C@@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)n1 ZINC001164725122 720398439 /nfs/dbraw/zinc/39/84/39/720398439.db2.gz MJAYNXSUCGCLBG-MSOLQXFVSA-N 1 0 382.464 2.515 20 0 GFADRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(c2nccc(Oc3cccc(F)c3)n2)C1 ZINC001164734556 720521748 /nfs/dbraw/zinc/52/17/48/720521748.db2.gz QIOCIESIORTTEK-OAHLLOKOSA-N 1 0 382.443 2.803 20 0 GFADRO Cc1nc2ccc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cccn5)[N@H+]4C(C)C)C3)nc2n1C ZINC001164842149 720544472 /nfs/dbraw/zinc/54/44/72/720544472.db2.gz WYTBGWWJTXEGBU-WSTZPKSXSA-N 1 0 393.539 2.851 20 0 GFADRO COC(=O)c1cc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)ncc1C ZINC001164840862 720559274 /nfs/dbraw/zinc/55/92/74/720559274.db2.gz UGYWHBGLIIAIRK-CMKODMSKSA-N 1 0 397.523 2.751 20 0 GFADRO CCOc1ccc(Cl)nc1N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001164727045 720569260 /nfs/dbraw/zinc/56/92/60/720569260.db2.gz AOTWVQZMVNQZEK-UHFFFAOYSA-N 1 0 375.904 2.989 20 0 GFADRO CCOCc1cnc(Cl)nc1N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001164736505 720575988 /nfs/dbraw/zinc/57/59/88/720575988.db2.gz MJWQJDKJAZGMPZ-UHFFFAOYSA-N 1 0 390.919 2.522 20 0 GFADRO Cc1ccc(-c2ccc(N3CCc4ncc(C[NH+]5CCCC5)n4CC3)nn2)o1 ZINC001164736114 720588119 /nfs/dbraw/zinc/58/81/19/720588119.db2.gz CWJQUJKWXWWEKP-UHFFFAOYSA-N 1 0 378.480 2.900 20 0 GFADRO CC(C)Oc1cncc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)n1 ZINC001164844124 720611262 /nfs/dbraw/zinc/61/12/62/720611262.db2.gz YWHBURDHJWLOCK-CEXWTWQISA-N 1 0 384.528 2.838 20 0 GFADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ncc(C(F)F)cn3)CC[C@@H]21 ZINC001164839517 720636211 /nfs/dbraw/zinc/63/62/11/720636211.db2.gz NXAZJBCDPMETGH-PVAVHDDUSA-N 1 0 376.455 2.989 20 0 GFADRO COC(=O)c1cnc(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)nc1 ZINC001164837083 720669920 /nfs/dbraw/zinc/66/99/20/720669920.db2.gz BKZVJEPUHRTJBV-LJQANCHMSA-N 1 0 396.491 2.523 20 0 GFADRO COCc1ccnc(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC001164845336 720687853 /nfs/dbraw/zinc/68/78/53/720687853.db2.gz YJPKVDNXSCJWDB-FQEVSTJZSA-N 1 0 382.508 2.883 20 0 GFADRO FC(F)(c1nccnc1Cl)N1CCCn2cnc(C[NH2+]C3CCC3)c2C1 ZINC001164838855 720739267 /nfs/dbraw/zinc/73/92/67/720739267.db2.gz YNFPMMPZUUTYAJ-UHFFFAOYSA-N 1 0 382.846 2.924 20 0 GFADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@H](NC(=O)C3CCC3)[C@H]3COC[C@@H]32)nc1 ZINC001164845870 720804243 /nfs/dbraw/zinc/80/42/43/720804243.db2.gz HKNSHZYMCOVGLU-MHTWAQMVSA-N 1 0 398.551 2.748 20 0 GFADRO Cc1nc(C(C)C)cc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164744231 720812847 /nfs/dbraw/zinc/81/28/47/720812847.db2.gz IELXGJYVZFLTDW-QKNQBKEWSA-N 1 0 395.555 2.879 20 0 GFADRO CC(C)c1cc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)ncn1 ZINC001164740801 720823561 /nfs/dbraw/zinc/82/35/61/720823561.db2.gz LGQKQTNLWQYSFO-NLWGTHIKSA-N 1 0 381.528 2.571 20 0 GFADRO CC(C)c1nccc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164746936 720832124 /nfs/dbraw/zinc/83/21/24/720832124.db2.gz ZQYONBDYEIWGMF-GUDVDZBRSA-N 1 0 381.528 2.571 20 0 GFADRO COCC[N@@H+]1CCO[C@@H]2CN(c3nc(Cl)nc4c3CCCCC4)CC[C@@H]2C1 ZINC001164858351 720851993 /nfs/dbraw/zinc/85/19/93/720851993.db2.gz ZQOKEZGQXSMHNP-CRAIPNDOSA-N 1 0 394.947 2.572 20 0 GFADRO c1ncn(C[C@H]2C[C@@H]3CN(c4cc(C5CCC5)ncn4)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164750196 720854930 /nfs/dbraw/zinc/85/49/30/720854930.db2.gz OOHHYBLSSFDLPN-SFHLNBCPSA-N 1 0 393.539 2.715 20 0 GFADRO COCC[N@@H+]1CCO[C@@H]2CN(C(F)(F)c3cnc(Cl)cc3C)CC[C@H]2C1 ZINC001164855407 720855939 /nfs/dbraw/zinc/85/59/39/720855939.db2.gz MADHTCXQYIVBEU-GOEBONIOSA-N 1 0 389.874 2.762 20 0 GFADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1ncnc3c1[C@@H](C)CC(=O)N3)[C@@H]2C ZINC001164860499 720964758 /nfs/dbraw/zinc/96/47/58/720964758.db2.gz QFMVILJERPBHNS-UONOGXRCSA-N 1 0 383.500 2.540 20 0 GFADRO CCOC(=O)c1c(C)ncnc1N1CCn2c(C[N@H+](C)C(C)C)cnc2[C@@H]1C ZINC001164857032 720965136 /nfs/dbraw/zinc/96/51/36/720965136.db2.gz FWMCXVAXTUXHEA-HNNXBMFYSA-N 1 0 386.500 2.580 20 0 GFADRO CN(C)C(=O)NC[C@@H]1OC[C@H]2CC[N@@H+](C(C)(C)c3ccnc(Cl)c3)C[C@H]12 ZINC001164757586 721001468 /nfs/dbraw/zinc/00/14/68/721001468.db2.gz PHSOSWBJRGSCKD-KBMXLJTQSA-N 1 0 380.920 2.578 20 0 GFADRO Clc1cnc(Cl)nc1N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164868666 721050388 /nfs/dbraw/zinc/05/03/88/721050388.db2.gz PGKFDGJSOMEQMO-UONOGXRCSA-N 1 0 380.279 2.658 20 0 GFADRO CSc1ncc(Cl)c(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164868196 721059875 /nfs/dbraw/zinc/05/98/75/721059875.db2.gz NOHTTYYOLFMJAF-LSDHHAIUSA-N 1 0 391.928 2.727 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4cc(Oc5ccccc5)ncn4)C[C@@H]3C2)cn1 ZINC001164765858 721091015 /nfs/dbraw/zinc/09/10/15/721091015.db2.gz KBBDEPXNZQCQKL-MOPGFXCFSA-N 1 0 390.491 2.961 20 0 GFADRO Cc1nc(Cl)cc(C(F)(F)N2C[C@@H]3C[N@H+](Cc4cnn(C)c4)CC[C@@H]3C2)n1 ZINC001164761555 721092265 /nfs/dbraw/zinc/09/22/65/721092265.db2.gz BTXFSPRKLLGYES-CABCVRRESA-N 1 0 396.873 2.675 20 0 GFADRO CSc1cnc(Cl)nc1N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164864485 721094060 /nfs/dbraw/zinc/09/40/60/721094060.db2.gz GCJNWDVAYIDBAM-GJZGRUSLSA-N 1 0 391.928 2.727 20 0 GFADRO Clc1cnc2c(c1)ncnc2N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164866209 721102692 /nfs/dbraw/zinc/10/26/92/721102692.db2.gz SBPFLUOIGJRKLX-SJORKVTESA-N 1 0 396.882 2.553 20 0 GFADRO Cc1c[nH]c2nc(Cl)nc(N3C[C@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@@H]4C3)c12 ZINC001164768205 721104795 /nfs/dbraw/zinc/10/47/95/721104795.db2.gz NULXGPFELKSEFV-HUUCEWRRSA-N 1 0 385.903 2.612 20 0 GFADRO Clc1nnc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)c2occc21 ZINC001164864038 721113779 /nfs/dbraw/zinc/11/37/79/721113779.db2.gz DNRCPEHOJNCFSD-LSDHHAIUSA-N 1 0 385.855 2.751 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4cc(Cl)nc5ncccc45)C[C@@H]3C2)cn1 ZINC001164764061 721117814 /nfs/dbraw/zinc/11/78/14/721117814.db2.gz GSDSTEUGWWUXOV-CVEARBPZSA-N 1 0 382.899 2.975 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4ncc5ccc(Cl)cc5n4)C[C@H]3C2)cn1 ZINC001164769194 721150737 /nfs/dbraw/zinc/15/07/37/721150737.db2.gz PRNIWUJZEYXZEO-IAGOWNOFSA-N 1 0 382.899 2.975 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4ncc5ccc(Cl)cc5n4)C[C@@H]3C2)cn1 ZINC001164769206 721151675 /nfs/dbraw/zinc/15/16/75/721151675.db2.gz PRNIWUJZEYXZEO-SJORKVTESA-N 1 0 382.899 2.975 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4cc(-c5ccc(F)cc5)ncn4)C[C@H]3C2)cn1 ZINC001164772380 721209997 /nfs/dbraw/zinc/20/99/97/721209997.db2.gz UGQFCALCCDMTFX-RBUKOAKNSA-N 1 0 392.482 2.975 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4ccc(-c5cccc(F)c5)nn4)C[C@H]3C2)cn1 ZINC001164761206 721214926 /nfs/dbraw/zinc/21/49/26/721214926.db2.gz ADYLYNFPOFZKAW-RTBURBONSA-N 1 0 392.482 2.975 20 0 GFADRO Cc1cc(N2C[C@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)nc(-c2ccco2)n1 ZINC001164763282 721215555 /nfs/dbraw/zinc/21/55/55/721215555.db2.gz FDZIKARFNREQTL-QZTJIDSGSA-N 1 0 378.480 2.737 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4cncc(OCC5CCCC5)n4)C[C@H]3C2)cn1 ZINC001164760709 721238118 /nfs/dbraw/zinc/23/81/18/721238118.db2.gz GFCOOFOYFJZXQL-WOJBJXKFSA-N 1 0 396.539 2.737 20 0 GFADRO COc1ccc(Cl)c(N2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)n1 ZINC001164890430 721412808 /nfs/dbraw/zinc/41/28/08/721412808.db2.gz SPJRVIUYSOHOMM-OXQOHEQNSA-N 1 0 394.947 2.509 20 0 GFADRO COc1nc(N2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)ccc1Cl ZINC001164889526 721426987 /nfs/dbraw/zinc/42/69/87/721426987.db2.gz BGUQAOMAOXHYHM-OXQOHEQNSA-N 1 0 394.947 2.509 20 0 GFADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncccc1OC)CC2 ZINC001164785073 721453516 /nfs/dbraw/zinc/45/35/16/721453516.db2.gz GIBMHITXWYYMIL-LJQANCHMSA-N 1 0 389.540 2.824 20 0 GFADRO O=C(NC1CCC1)[C@@H]1COC2(C1)CCN(c1ncccc1C[NH+]1CCCC1)CC2 ZINC001164897389 721491263 /nfs/dbraw/zinc/49/12/63/721491263.db2.gz CWVFQKDYIZHYGQ-IBGZPJMESA-N 1 0 398.551 2.722 20 0 GFADRO CCOC(=O)c1cc(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)ncn1 ZINC001164792610 721493464 /nfs/dbraw/zinc/49/34/64/721493464.db2.gz SBQTZTSFRXFSNP-UHFFFAOYSA-N 1 0 395.507 2.929 20 0 GFADRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ccc3c(n1)OCC(=O)N3)CC2 ZINC001164792632 721495303 /nfs/dbraw/zinc/49/53/03/721495303.db2.gz SRFOSNSCEJVIDQ-UHFFFAOYSA-N 1 0 393.491 2.689 20 0 GFADRO COc1nc(Cl)cc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)n1 ZINC001164901717 721511485 /nfs/dbraw/zinc/51/14/85/721511485.db2.gz YDZRUUQSFNVHCT-UKRRQHHQSA-N 1 0 378.835 2.620 20 0 GFADRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2nc4ccccc4cc2Cl)CC3)CC1 ZINC001164794321 721511848 /nfs/dbraw/zinc/51/18/48/721511848.db2.gz NTZGQYKHKJOWOK-UHFFFAOYSA-N 1 0 396.926 2.852 20 0 GFADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncnc3ccccc32)[C@H]2CCCO[C@@H]12 ZINC001164802545 721529927 /nfs/dbraw/zinc/52/99/27/721529927.db2.gz GYZZERIDCONJKV-PWRODBHTSA-N 1 0 375.476 2.893 20 0 GFADRO Fc1cccc(O[C@H]2C[C@@H]3CN(c4ccnc(N5CCCCC5)n4)CC[N@@H+]3C2)c1 ZINC001164906968 721551602 /nfs/dbraw/zinc/55/16/02/721551602.db2.gz LLCCYTGWQPMLQO-QUCCMNQESA-N 1 0 397.498 2.948 20 0 GFADRO Cc1cnc2c(ccnc2N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)n1 ZINC001164909208 721560870 /nfs/dbraw/zinc/56/08/70/721560870.db2.gz SXYGWKDFHBHOCG-FUHWJXTLSA-N 1 0 379.439 2.814 20 0 GFADRO CCOC(=O)Cc1ccnc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)c1 ZINC001164909202 721566420 /nfs/dbraw/zinc/56/64/20/721566420.db2.gz SVRZIKAFBDAMEH-ICSRJNTNSA-N 1 0 399.466 2.668 20 0 GFADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2cnc3c(Cl)cccc3n2)CC1 ZINC001165010100 721734433 /nfs/dbraw/zinc/73/44/33/721734433.db2.gz AEQWBFREPORCBY-UHFFFAOYSA-N 1 0 387.915 2.806 20 0 GFADRO COCc1ccc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)nn1 ZINC001164909887 721734461 /nfs/dbraw/zinc/73/44/61/721734461.db2.gz FLCUEOYAZXEKSV-IBGZPJMESA-N 1 0 389.450 2.756 20 0 GFADRO CCOC(=O)c1cncc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)n1 ZINC001165019761 721810658 /nfs/dbraw/zinc/81/06/58/721810658.db2.gz BQLOIMYSDQAYMH-XKGZKEIXSA-N 1 0 395.507 2.785 20 0 GFADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc4c(n3)NC(=O)CO4)C[C@@H]21 ZINC001165018781 721814890 /nfs/dbraw/zinc/81/48/90/721814890.db2.gz ACISXFMBXXRBBE-RYQLBKOJSA-N 1 0 393.491 2.544 20 0 GFADRO CCNC(=O)c1cccnc1N1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165018803 721817469 /nfs/dbraw/zinc/81/74/69/721817469.db2.gz AGYOYZRETXOPSB-YYWHXJBOSA-N 1 0 393.535 2.963 20 0 GFADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2cncc(N(C)C)n2)CC1 ZINC001165023482 721838644 /nfs/dbraw/zinc/83/86/44/721838644.db2.gz ZMJXAEHTDMCVIM-UHFFFAOYSA-N 1 0 385.512 2.661 20 0 GFADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2ncc3c(n2)CCCN3)CC1 ZINC001165022472 721840813 /nfs/dbraw/zinc/84/08/13/721840813.db2.gz TYPLLWSNBUBJSQ-UHFFFAOYSA-N 1 0 397.523 2.953 20 0 GFADRO CCOc1cc2ncnc(N3CC[C@@H]4[C@H]3CC[N@@H+]4CCN(C)C)c2cc1OCC ZINC001164926046 721864247 /nfs/dbraw/zinc/86/42/47/721864247.db2.gz QGYPOAAUIOUHCO-RTBURBONSA-N 1 0 399.539 2.642 20 0 GFADRO COc1cccc2nc(Cl)nc(N3CC[C@H]4[C@@H]3CCN4CC[NH+](C)C)c21 ZINC001164928295 721866640 /nfs/dbraw/zinc/86/66/40/721866640.db2.gz YDFWAUYRIRSKMF-GJZGRUSLSA-N 1 0 375.904 2.506 20 0 GFADRO CC(C)n1ccc2c1nc(Cl)nc2N1CC[C@H]2[C@H]1CC[N@@H+]2CCN(C)C ZINC001164921502 721876055 /nfs/dbraw/zinc/87/60/55/721876055.db2.gz DBVMFFWVUVECFZ-JKSUJKDBSA-N 1 0 376.936 2.880 20 0 GFADRO CC(C)n1ccc2c1nc(Cl)nc2N1CC[C@@H]2[C@H]1CC[N@@H+]2CCN(C)C ZINC001164921498 721876103 /nfs/dbraw/zinc/87/61/03/721876103.db2.gz DBVMFFWVUVECFZ-HZPDHXFCSA-N 1 0 376.936 2.880 20 0 GFADRO CCc1nc2sc3c(c2c(N2CC[C@H]4[C@@H]2CC[N@@H+]4CCN(C)C)n1)CCC3 ZINC001164931926 721877880 /nfs/dbraw/zinc/87/78/80/721877880.db2.gz GUAKEHCMMNEVSJ-HOTGVXAUSA-N 1 0 385.581 2.957 20 0 GFADRO CCOc1ccc(-c2ccc(N3CC[C@@H]4[C@@H]3CCN4CC[NH+](C)C)nn2)cc1 ZINC001164935939 721883917 /nfs/dbraw/zinc/88/39/17/721883917.db2.gz YQDTYWOUCLRHJY-RTWAWAEBSA-N 1 0 381.524 2.757 20 0 GFADRO C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2c1cc(SCc2ccccc2)ncn1 ZINC001164935121 721885018 /nfs/dbraw/zinc/88/50/18/721885018.db2.gz WCNNLMPUQIEMHD-MOPGFXCFSA-N 1 0 383.565 2.984 20 0 GFADRO Cc1ccc(S(=O)(=O)n2ccc3c2ncnc3N2CCC[C@H]([NH+](C)C)C2)cc1 ZINC001165034525 721886672 /nfs/dbraw/zinc/88/66/72/721886672.db2.gz HCRMVUNPCODIFG-INIZCTEOSA-N 1 0 399.520 2.507 20 0 GFADRO C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2c1ncc(C(=O)OC(C)(C)C)cc1Cl ZINC001164931949 721887039 /nfs/dbraw/zinc/88/70/39/721887039.db2.gz GWTLJIPSKUORBS-IAGOWNOFSA-N 1 0 394.947 2.905 20 0 GFADRO c1csc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3c2cc(N3CCSCC3)ncn2)c1 ZINC001164936863 721914216 /nfs/dbraw/zinc/91/42/16/721914216.db2.gz AAYBXWNEWHAWCO-IYBDPMFKSA-N 1 0 387.578 2.945 20 0 GFADRO COc1cnc(N2CCC3(CC2)C[N@H+](Cc2ccc(C)cc2)CCO3)nc1OC ZINC001164940609 721925967 /nfs/dbraw/zinc/92/59/67/721925967.db2.gz UUGGZMBNJSRLKN-UHFFFAOYSA-N 1 0 398.507 2.674 20 0 GFADRO CC[NH+](CC)C1CCN(C(F)(F)c2cnc(Cl)c(S(C)(=O)=O)c2)CC1 ZINC001165054665 722007896 /nfs/dbraw/zinc/00/78/96/722007896.db2.gz WTSHESZOLZUJFI-UHFFFAOYSA-N 1 0 395.903 2.994 20 0 GFADRO COC(=O)c1ccc2c(ccnc2N2CC[NH+](CCc3ccccn3)CC2)c1 ZINC001165053263 722011599 /nfs/dbraw/zinc/01/15/99/722011599.db2.gz DIDIGIISJDVRBY-UHFFFAOYSA-N 1 0 376.460 2.781 20 0 GFADRO NC(=O)c1cc(Cl)cnc1N1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001164952732 722013162 /nfs/dbraw/zinc/01/31/62/722013162.db2.gz AUOGWOFSTWBXRD-UHFFFAOYSA-N 1 0 385.899 2.721 20 0 GFADRO NC(=O)c1cc(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)ncc1Cl ZINC001164952802 722013231 /nfs/dbraw/zinc/01/32/31/722013231.db2.gz BTTPYSPEKODEGE-UHFFFAOYSA-N 1 0 385.899 2.721 20 0 GFADRO FC(F)Oc1cnc(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)nc1 ZINC001164955459 722019293 /nfs/dbraw/zinc/01/92/93/722019293.db2.gz HPAGXPICAKYGCC-UHFFFAOYSA-N 1 0 375.423 2.966 20 0 GFADRO Cc1nc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)ncc1Cl ZINC001164961269 722054147 /nfs/dbraw/zinc/05/41/47/722054147.db2.gz WXEDQPPVLRKDLA-UHFFFAOYSA-N 1 0 387.915 2.952 20 0 GFADRO COCc1ccc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)nc1 ZINC001164963379 722059747 /nfs/dbraw/zinc/05/97/47/722059747.db2.gz XUBIYSLBVXWEET-UHFFFAOYSA-N 1 0 382.508 2.742 20 0 GFADRO COc1cccc(Oc2cncc(N3C[C@@H]4C[N@@H+](CC5CC5)C[C@H](C3)O4)n2)c1 ZINC001164967813 722074115 /nfs/dbraw/zinc/07/41/15/722074115.db2.gz XOWPAKGVRROEJS-KDURUIRLSA-N 1 0 382.464 2.577 20 0 GFADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCO[C@@]3(CCCN(C(C)=O)C3)C2)nc1 ZINC001164970071 722084184 /nfs/dbraw/zinc/08/41/84/722084184.db2.gz UEZOVUXNORWLIB-IFMALSPDSA-N 1 0 386.540 2.846 20 0 GFADRO c1cncc(C[N@@H+]2CCO[C@H]3CN(c4nccc5ncccc54)CC[C@@H]3C2)c1 ZINC001164978245 722104369 /nfs/dbraw/zinc/10/43/69/722104369.db2.gz GIXCDQOYQQKJCH-NQIIRXRSSA-N 1 0 375.476 2.752 20 0 GFADRO Cc1[nH]c2ncnc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)c2c1C ZINC001164977532 722120530 /nfs/dbraw/zinc/12/05/30/722120530.db2.gz NLXWIGTZPDMBIQ-MOPGFXCFSA-N 1 0 392.507 2.697 20 0 GFADRO Fc1ccc2nc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)ncc2c1 ZINC001164977956 722132172 /nfs/dbraw/zinc/13/21/72/722132172.db2.gz IUJDNNYNSDQARG-UWJYYQICSA-N 1 0 393.466 2.891 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)N1CCCN(C(=O)c2ccco2)CC1)C1CCCCC1 ZINC000359939144 203805892 /nfs/dbraw/zinc/80/58/92/203805892.db2.gz XMEZYOYEGSJZFD-GOSISDBHSA-N 1 0 390.528 2.648 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)C2CCN(S(C)(=O)=O)CC2)cc1 ZINC000053720672 205138516 /nfs/dbraw/zinc/13/85/16/205138516.db2.gz AIELUVYUSIJOCA-MRXNPFEDSA-N 1 0 393.553 2.671 20 0 GFADRO Cc1sc(Br)cc1S(=O)(=O)N1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000397287800 563531825 /nfs/dbraw/zinc/53/18/25/563531825.db2.gz VHDRQMSPKSYWQU-QXEWZRGKSA-N 1 0 381.361 2.813 20 0 GFADRO Cc1ccc(S(=O)(=O)N2CCC[C@H](C)[C@@H]2CC[NH3+])c(Br)c1 ZINC000405235583 563539034 /nfs/dbraw/zinc/53/90/34/563539034.db2.gz DIVHJSNGZYFTIH-JSGCOSHPSA-N 1 0 375.332 2.896 20 0 GFADRO O=C1CC[C@H]([NH2+]Cc2cc(Cl)ccc2I)CCN1 ZINC000405297143 563538516 /nfs/dbraw/zinc/53/85/16/563538516.db2.gz LJMUOOHWABAFKZ-NSHDSACASA-N 1 0 378.641 2.703 20 0 GFADRO CC1(C)CCC[NH2+][C@H]1CNC(=O)c1cc(F)ccc1I ZINC000430634919 563546563 /nfs/dbraw/zinc/54/65/63/563546563.db2.gz TWLPBXPZFFJCCQ-ZDUSSCGKSA-N 1 0 390.240 2.938 20 0 GFADRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)CSCc1ccc(Br)cc1F ZINC000432530112 563586389 /nfs/dbraw/zinc/58/63/89/563586389.db2.gz FLWBGNTWEICRBY-YGRLFVJLSA-N 1 0 375.307 2.936 20 0 GFADRO CC[NH+]1CCC(NC(=O)CSc2nnc(Nc3ccccc3)s2)CC1 ZINC000011541367 551107217 /nfs/dbraw/zinc/10/72/17/551107217.db2.gz LIEGBUDUPHMUAO-UHFFFAOYSA-N 1 0 377.539 2.974 20 0 GFADRO CC[NH+]1CCC(NS(=O)(=O)c2ccc(Br)cc2Cl)CC1 ZINC000014096809 551109565 /nfs/dbraw/zinc/10/95/65/551109565.db2.gz QOHISROUVNDRPT-UHFFFAOYSA-N 1 0 381.723 2.865 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)CSc1nnc(NC2CC2)s1)c1ccccc1 ZINC000016928386 551112481 /nfs/dbraw/zinc/11/24/81/551112481.db2.gz VEJDSSRNOYLXAF-CQSZACIVSA-N 1 0 377.539 2.624 20 0 GFADRO C[NH+](C)CCNC(=O)c1ccc(NC(=O)c2ccc(Br)o2)cc1 ZINC000031465023 551129923 /nfs/dbraw/zinc/12/99/23/551129923.db2.gz SLSUVZBKVPLTSY-UHFFFAOYSA-N 1 0 380.242 2.586 20 0 GFADRO C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NCCCC[NH+]1CCOCC1 ZINC000041536050 551135941 /nfs/dbraw/zinc/13/59/41/551135941.db2.gz RTCUKILYFNMUIF-ZDUSSCGKSA-N 1 0 375.296 2.989 20 0 GFADRO CC(C)C[C@@H](CNC(=O)[C@H](C)NC(=O)c1ccc(Br)cc1)[NH+](C)C ZINC000042583792 551139744 /nfs/dbraw/zinc/13/97/44/551139744.db2.gz CLXWMYYUCPLYQS-BBRMVZONSA-N 1 0 398.345 2.660 20 0 GFADRO C[N@H+](CCC(=O)N1CCN(c2ccccn2)CC1)Cc1ccc(Cl)s1 ZINC000044850409 551144549 /nfs/dbraw/zinc/14/45/49/551144549.db2.gz CDEVIZCREZFAKC-UHFFFAOYSA-N 1 0 378.929 2.967 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)C(=O)Nc1ccc(Br)cc1 ZINC000049131509 551158061 /nfs/dbraw/zinc/15/80/61/551158061.db2.gz GMAKNOHBHJFGPA-CYBMUJFWSA-N 1 0 382.302 2.768 20 0 GFADRO CN1CCC([NH+]2CCC(NC(=O)c3ccc(Br)cc3F)CC2)CC1 ZINC000050800587 551161446 /nfs/dbraw/zinc/16/14/46/551161446.db2.gz SDIQJJVPNARCAA-UHFFFAOYSA-N 1 0 398.320 2.877 20 0 GFADRO CN1CCC([NH+]2CCC(NC(=O)c3cc(F)cc(Br)c3)CC2)CC1 ZINC000050798093 551161453 /nfs/dbraw/zinc/16/14/53/551161453.db2.gz JMNZZPHYOQEDIO-UHFFFAOYSA-N 1 0 398.320 2.877 20 0 GFADRO O=S(=O)(NCC[NH2+]C1CC1)c1c(Cl)cc(Br)cc1Cl ZINC000054266997 551168154 /nfs/dbraw/zinc/16/81/54/551168154.db2.gz QXVINDNSXMWKLY-UHFFFAOYSA-N 1 0 388.114 2.786 20 0 GFADRO COc1ccc(S(=O)(=O)NCC2([NH+]3CCSCC3)CCCC2)c(C)c1 ZINC000056054953 551176258 /nfs/dbraw/zinc/17/62/58/551176258.db2.gz ZDRBOSDLAINNEQ-UHFFFAOYSA-N 1 0 384.567 2.644 20 0 GFADRO C[N@@H+](Cc1ccc(Cl)s1)C[C@@H](O)Cn1c(=O)onc1-c1ccccc1 ZINC000067427755 551188938 /nfs/dbraw/zinc/18/89/38/551188938.db2.gz APHSLNHEVGRVRP-CYBMUJFWSA-N 1 0 379.869 2.711 20 0 GFADRO COc1cc(CN[C@@H](C)CC[NH+](C)C)cc(I)c1OC ZINC000068840035 551193619 /nfs/dbraw/zinc/19/36/19/551193619.db2.gz QEZOFTKCJPZOGT-NSHDSACASA-N 1 0 392.281 2.738 20 0 GFADRO CC[C@H](CO)[NH+]1CCN(Cc2nc(-c3ccc(Br)cc3)c[nH]2)CC1 ZINC000093740156 551195489 /nfs/dbraw/zinc/19/54/89/551195489.db2.gz QPJHBYRRSPFRPE-MRXNPFEDSA-N 1 0 393.329 2.728 20 0 GFADRO CCCc1nc(CSCC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)cs1 ZINC000101585043 551196822 /nfs/dbraw/zinc/19/68/22/551196822.db2.gz UFTWQZFFUQJGEB-INIZCTEOSA-N 1 0 385.599 2.802 20 0 GFADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)N[C@@H](C)Cc1ccc(Cl)cc1Cl ZINC000106553684 551200454 /nfs/dbraw/zinc/20/04/54/551200454.db2.gz UTRREDZUKDZPRO-UONOGXRCSA-N 1 0 387.355 2.860 20 0 GFADRO C[NH+](C)[C@H](CNc1ccc(S(=O)(=O)NCC2CC2)cn1)c1cccs1 ZINC000110100059 551202696 /nfs/dbraw/zinc/20/26/96/551202696.db2.gz KCGQXMLKMOSTRQ-OAHLLOKOSA-N 1 0 380.539 2.546 20 0 GFADRO C[C@@H](C[NH+]1CCCCC1)NC(=O)c1cc(=O)c2cc(Br)ccc2[nH]1 ZINC000112629307 551206039 /nfs/dbraw/zinc/20/60/39/551206039.db2.gz ORLDDTFPBVKESR-LBPRGKRZSA-N 1 0 392.297 2.895 20 0 GFADRO COCC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)Cc1c(Cl)cccc1Cl ZINC000113288144 551207816 /nfs/dbraw/zinc/20/78/16/551207816.db2.gz IWHJZADYUNRXGB-GFCCVEGCSA-N 1 0 381.325 2.524 20 0 GFADRO C[NH+](C)C1(CNC(=O)CCOc2ccc(Cl)c(Cl)c2)CCOCC1 ZINC000114055338 551208574 /nfs/dbraw/zinc/20/85/74/551208574.db2.gz GFBDUAHFNJKYHA-UHFFFAOYSA-N 1 0 375.296 2.989 20 0 GFADRO O=S(=O)(NC[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(OC(F)F)c(Cl)c1 ZINC000119445222 551216316 /nfs/dbraw/zinc/21/63/16/551216316.db2.gz XZIWUQBZIVVQIT-SNVBAGLBSA-N 1 0 380.844 2.704 20 0 GFADRO C[C@@H](NS(=O)(=O)Cc1ccc(Br)cc1)C(C)(C)C[NH+](C)C ZINC000121383278 551233125 /nfs/dbraw/zinc/23/31/25/551233125.db2.gz UYHHHCJMNHTZEU-GFCCVEGCSA-N 1 0 377.348 2.845 20 0 GFADRO CCO[C@@H](CC[NH+](C)C)CNC(=O)Nc1ccc(OC)cc1Br ZINC000121465915 551234760 /nfs/dbraw/zinc/23/47/60/551234760.db2.gz GIAUSYBMSGZQFK-ZDUSSCGKSA-N 1 0 388.306 2.936 20 0 GFADRO O=S(=O)(NCC[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)c1cccc(Cl)c1 ZINC000121503957 551235946 /nfs/dbraw/zinc/23/59/46/551235946.db2.gz QKIGFYUCFJQVKG-BBWFWOEESA-N 1 0 384.929 2.556 20 0 GFADRO O=S(=O)(C[C@@H]1CCOC1)N(CC[NH+]1CCCC1)Cc1ccc(Cl)cc1 ZINC000121599429 551238234 /nfs/dbraw/zinc/23/82/34/551238234.db2.gz USIKJYWQYXHMPB-QGZVFWFLSA-N 1 0 386.945 2.604 20 0 GFADRO O=S(=O)(NCC[NH2+]Cc1ccc(F)c(Br)c1)c1cccs1 ZINC000122237796 551296150 /nfs/dbraw/zinc/29/61/50/551296150.db2.gz BRFFVYFYNOKNDB-UHFFFAOYSA-N 1 0 393.303 2.718 20 0 GFADRO CCN1CC[NH+](C[C@H](C)CNC(=O)CCc2ccccc2Br)CC1 ZINC000122250420 551295934 /nfs/dbraw/zinc/29/59/34/551295934.db2.gz OTROVLWCJAVBQM-MRXNPFEDSA-N 1 0 396.373 2.772 20 0 GFADRO O=S(=O)(NCC[NH2+]Cc1ccccc1OC(F)(F)F)c1cccs1 ZINC000122258500 551296530 /nfs/dbraw/zinc/29/65/30/551296530.db2.gz QADQMRCVURHBJG-UHFFFAOYSA-N 1 0 380.413 2.715 20 0 GFADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)CSCc2cccc(Cl)c2)CC1 ZINC000122376298 551297029 /nfs/dbraw/zinc/29/70/29/551297029.db2.gz QCXJSCHWIOLUFM-INIZCTEOSA-N 1 0 383.989 2.963 20 0 GFADRO Cc1ccc(NC(=O)C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)cc1Br ZINC000123267886 551304486 /nfs/dbraw/zinc/30/44/86/551304486.db2.gz UMUKLSXKYIWKCY-AWEZNQCLSA-N 1 0 394.313 2.640 20 0 GFADRO C[C@H]1C[C@@H](NS(=O)(=O)Cc2ccc(OC(F)(F)F)cc2)C[N@@H+]1C1CC1 ZINC000124117689 551311111 /nfs/dbraw/zinc/31/11/11/551311111.db2.gz PXICMDUSMGROMI-WCQYABFASA-N 1 0 378.416 2.630 20 0 GFADRO C[N@H+](C[C@@H](O)COc1ccc(F)cc1)[C@@H](CO)c1cccc(Br)c1 ZINC000125711833 551322919 /nfs/dbraw/zinc/32/29/19/551322919.db2.gz UBEICOSMWZNAPB-AEFFLSMTSA-N 1 0 398.272 2.993 20 0 GFADRO C[N@H+](CCC1CCCCC1)CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl ZINC000126281874 551327426 /nfs/dbraw/zinc/32/74/26/551327426.db2.gz WWPXSDYPRJHYGU-UHFFFAOYSA-N 1 0 387.933 2.828 20 0 GFADRO C[C@H](C[S@](C)=O)[N@H+](C)C[C@H](O)COc1ccc(Cl)cc1Br ZINC000126576725 551331549 /nfs/dbraw/zinc/33/15/49/551331549.db2.gz JUPXPDMIKOHPON-SXUOVDMSSA-N 1 0 398.750 2.541 20 0 GFADRO Cc1cc(Br)oc1C(=O)Nc1ccc(OC[C@H](O)C[NH+](C)C)cc1 ZINC000126733102 551332333 /nfs/dbraw/zinc/33/23/33/551332333.db2.gz XPPJPGITFRGCSE-CYBMUJFWSA-N 1 0 397.269 2.904 20 0 GFADRO CCN(CCC[NH2+][C@H](C)c1ccc(F)cc1Br)S(C)(=O)=O ZINC000128299793 551348629 /nfs/dbraw/zinc/34/86/29/551348629.db2.gz KDJJAAKRXSCVAW-LLVKDONJSA-N 1 0 381.311 2.910 20 0 GFADRO [NH3+][C@@H]1CCCC[C@H]1NC(=O)c1cc(Cl)ccc1I ZINC000128336961 551349203 /nfs/dbraw/zinc/34/92/03/551349203.db2.gz AHMIRNCHPDNTGR-VXGBXAGGSA-N 1 0 378.641 2.944 20 0 GFADRO Cc1cc(NC(=O)C(=O)NCCC2CC[NH+](C)CC2)ccc1Br ZINC000128970196 551354055 /nfs/dbraw/zinc/35/40/55/551354055.db2.gz RHBGPOWJVZOTKT-UHFFFAOYSA-N 1 0 382.302 2.544 20 0 GFADRO CC(C)CS(=O)(=O)CCC(=O)NC[C@@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000129849217 551360032 /nfs/dbraw/zinc/36/00/32/551360032.db2.gz KQOMFCXTTOEAQG-YJBOKZPZSA-N 1 0 386.583 2.708 20 0 GFADRO C[C@@H]([NH2+]C[C@H](O)COCC1CC1)c1ccc(I)cc1 ZINC000130003225 551360776 /nfs/dbraw/zinc/36/07/76/551360776.db2.gz WWTUXPOSSPZRDA-ABAIWWIYSA-N 1 0 375.250 2.729 20 0 GFADRO C[C@H]([NH2+]C[C@H](O)COCC1CC1)c1ccc(I)cc1 ZINC000130003045 551360782 /nfs/dbraw/zinc/36/07/82/551360782.db2.gz WWTUXPOSSPZRDA-NHYWBVRUSA-N 1 0 375.250 2.729 20 0 GFADRO C[C@@H](Sc1nc2ccccc2s1)C(=O)N[C@@H](C)CN1CC[NH+](C)CC1 ZINC000130487973 551365407 /nfs/dbraw/zinc/36/54/07/551365407.db2.gz KNSDGEFCXGGPNL-UONOGXRCSA-N 1 0 378.567 2.529 20 0 GFADRO CC[N@H+](CC(=O)N[C@@H](CC(=O)OC)c1ccc(Br)cc1)C1CC1 ZINC000130786117 551369373 /nfs/dbraw/zinc/36/93/73/551369373.db2.gz UTDKNNVINHVXEZ-HNNXBMFYSA-N 1 0 383.286 2.654 20 0 GFADRO Cc1nn(C)c(Cl)c1C[NH2+]C[C@@H](O)COc1ccccc1Br ZINC000131024044 551370697 /nfs/dbraw/zinc/37/06/97/551370697.db2.gz WTVZPFWPRKPHPM-LLVKDONJSA-N 1 0 388.693 2.674 20 0 GFADRO O=C(CCc1ccc(Br)cc1)NCCCC[N@H+]1CCC[C@H]1CO ZINC000131547771 551375061 /nfs/dbraw/zinc/37/50/61/551375061.db2.gz JFHXATSAWBLTLB-KRWDZBQOSA-N 1 0 383.330 2.735 20 0 GFADRO CC[NH+](CC)CCCNC(=O)[C@H]1CCN(c2ccccc2Br)C1=O ZINC000131587270 551375165 /nfs/dbraw/zinc/37/51/65/551375165.db2.gz PLUYJYQGOSXKAY-CQSZACIVSA-N 1 0 396.329 2.650 20 0 GFADRO COCC[NH+]1CCC(NC(=O)[C@H](C)Oc2ccc(Cl)c(Cl)c2)CC1 ZINC000141366882 551394254 /nfs/dbraw/zinc/39/42/54/551394254.db2.gz NJVLKRHADRUTAE-LBPRGKRZSA-N 1 0 375.296 2.988 20 0 GFADRO Cc1csc(=O)n1CCN1CCCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000141675843 551394281 /nfs/dbraw/zinc/39/42/81/551394281.db2.gz NNDCIJSCLGTNHM-UHFFFAOYSA-N 1 0 379.913 2.720 20 0 GFADRO Cc1cc(S(=O)(=O)NCC2([NH+](C)C)CCCC2)sc1Br ZINC000150025300 551399335 /nfs/dbraw/zinc/39/93/35/551399335.db2.gz VKPZYGGIICUMAD-UHFFFAOYSA-N 1 0 381.361 2.972 20 0 GFADRO O=C(NCCOc1ncc(Cl)cc1Cl)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000151038598 551406276 /nfs/dbraw/zinc/40/62/76/551406276.db2.gz SFPQKAFAUISDBR-CYBMUJFWSA-N 1 0 387.311 2.895 20 0 GFADRO Cn1cc(Br)cc1C[N@H+](C)CCCN1C(=O)c2ccccc2C1=O ZINC000151616055 551418403 /nfs/dbraw/zinc/41/84/03/551418403.db2.gz YRMIYHNGQQZKJI-UHFFFAOYSA-N 1 0 390.281 2.906 20 0 GFADRO O=S(=O)(c1ccc(F)c(C(F)(F)F)c1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000151636614 551418696 /nfs/dbraw/zinc/41/86/96/551418696.db2.gz ZSNUWGAUOGYUQZ-GFCCVEGCSA-N 1 0 380.407 2.951 20 0 GFADRO CC(C)N(CC[NH+](C)C)C(=O)CCNC(=O)Nc1ccc(Br)cc1 ZINC000151769071 551421016 /nfs/dbraw/zinc/42/10/16/551421016.db2.gz MOTUUCBCIWHPIU-UHFFFAOYSA-N 1 0 399.333 2.759 20 0 GFADRO C[C@@H]1C[NH+](C[C@H](O)Cn2ccc(-c3ccc(Br)cc3)n2)C[C@@H](C)O1 ZINC000152193992 551428113 /nfs/dbraw/zinc/42/81/13/551428113.db2.gz VABCMRCXGMUJSO-CPUCHLNUSA-N 1 0 394.313 2.783 20 0 GFADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H](C)Cc1ccc(Br)cc1 ZINC000152527104 551434626 /nfs/dbraw/zinc/43/46/26/551434626.db2.gz WXTGFZSJMUZLBK-YOEHRIQHSA-N 1 0 383.330 2.855 20 0 GFADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)Cc1c[nH]c2cccc(Br)c12 ZINC000152948094 551443376 /nfs/dbraw/zinc/44/33/76/551443376.db2.gz KQFSUTFXNQCDGI-CQSZACIVSA-N 1 0 394.313 2.700 20 0 GFADRO C[NH+](C)C[C@](C)(O)CNC(=O)c1ccc(Br)c(C(F)(F)F)c1 ZINC000152972181 551443635 /nfs/dbraw/zinc/44/36/35/551443635.db2.gz FORKNEVTYJQELB-CYBMUJFWSA-N 1 0 383.208 2.510 20 0 GFADRO CCO[C@H]1C[C@H](O)C12CC[NH+](C[C@H](O)c1ccccc1Br)CC2 ZINC000152997683 551444377 /nfs/dbraw/zinc/44/43/77/551444377.db2.gz HHAQFBRQOVFEKR-ULQDDVLXSA-N 1 0 384.314 2.734 20 0 GFADRO CCCC[N@H+](C)CCNC(=O)C(=O)Nc1ccc(Br)c(Cl)c1 ZINC000153252063 551448804 /nfs/dbraw/zinc/44/88/04/551448804.db2.gz VTHHRQZGYSXYMS-UHFFFAOYSA-N 1 0 390.709 2.889 20 0 GFADRO O[C@@H](C[N@@H+]1CCC[C@H](CN2CCOCC2)C1)c1ccccc1Br ZINC000153518097 551454433 /nfs/dbraw/zinc/45/44/33/551454433.db2.gz HIUOUZRKKOKTJH-QAPCUYQASA-N 1 0 383.330 2.527 20 0 GFADRO C[C@H](Cn1cc(Br)cn1)[NH2+]C[C@H](c1cccs1)N1CCOCC1 ZINC000153691727 551458737 /nfs/dbraw/zinc/45/87/37/551458737.db2.gz KACIVFWOBSTXNA-UKRRQHHQSA-N 1 0 399.358 2.759 20 0 GFADRO CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)Nc2cc(C)ccc2Br)C1 ZINC000153965071 551464190 /nfs/dbraw/zinc/46/41/90/551464190.db2.gz VLSFDWUERNFUIR-ZDUSSCGKSA-N 1 0 382.302 2.639 20 0 GFADRO Cc1cc(C(=O)N2C[C@@H](C)[NH2+][C@H](C)C2)nn1-c1ccc(Br)cc1 ZINC000153987823 551465132 /nfs/dbraw/zinc/46/51/32/551465132.db2.gz AOSXVAHFEFRUAE-VXGBXAGGSA-N 1 0 377.286 2.766 20 0 GFADRO CCC[NH+]1CCC(N(C)C(=O)CNC(=O)c2ccc(Br)cc2)CC1 ZINC000154041710 551466182 /nfs/dbraw/zinc/46/61/82/551466182.db2.gz KQKLPPLZUDCLDS-UHFFFAOYSA-N 1 0 396.329 2.512 20 0 GFADRO Cc1c(C(=O)N2CC[C@@H]([NH3+])C[C@@H]2C)cnn1-c1ccc(Br)cc1 ZINC000154087584 551467616 /nfs/dbraw/zinc/46/76/16/551467616.db2.gz QTOZNFMJXUQXPP-SMDDNHRTSA-N 1 0 377.286 2.895 20 0 GFADRO C[C@@H]1CN(C(=O)C2(c3ccc(Br)cc3)CCOCC2)C[C@H](C)[NH2+]1 ZINC000154142620 551468499 /nfs/dbraw/zinc/46/84/99/551468499.db2.gz ZERLIAPFSVUBTO-OKILXGFUSA-N 1 0 381.314 2.706 20 0 GFADRO Cc1ccc(S(=O)(=O)N2CCC([NH2+]C[C@@H](O)c3ccsc3)CC2)cc1 ZINC000154464662 551475598 /nfs/dbraw/zinc/47/55/98/551475598.db2.gz GNQOGSKUBXSOPI-GOSISDBHSA-N 1 0 380.535 2.533 20 0 GFADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)Cc3cccc(I)c3)CC[C@@H]21 ZINC000154962169 551487345 /nfs/dbraw/zinc/48/73/45/551487345.db2.gz KZDVCVXYOARRDD-ZBFHGGJFSA-N 1 0 398.288 2.776 20 0 GFADRO Cc1sc(Br)cc1S(=O)(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000155083319 551490564 /nfs/dbraw/zinc/49/05/64/551490564.db2.gz JGPNKQWLDSZZRZ-LLVKDONJSA-N 1 0 379.345 2.582 20 0 GFADRO CC[N@H+](CCNC(=O)C(=O)Nc1ccc(Cl)c(Br)c1)C1CC1 ZINC000155601476 551503627 /nfs/dbraw/zinc/50/36/27/551503627.db2.gz IZOVDQWRXPZGRH-UHFFFAOYSA-N 1 0 388.693 2.642 20 0 GFADRO Cc1c(I)cccc1C(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000155868253 551509586 /nfs/dbraw/zinc/50/95/86/551509586.db2.gz JGNLOAQXKZNYJY-JQWIXIFHSA-N 1 0 384.261 2.955 20 0 GFADRO CC[NH+]1CCN([C@H](C)CNC(=O)c2c[nH]c3cccc(Br)c23)CC1 ZINC000155868281 551509634 /nfs/dbraw/zinc/50/96/34/551509634.db2.gz CQBIQVJGSUPEIH-CYBMUJFWSA-N 1 0 393.329 2.686 20 0 GFADRO Cc1cccc(S(=O)(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)c1Br ZINC000156209505 551517036 /nfs/dbraw/zinc/51/70/36/551517036.db2.gz NTKJFEADRPTBRU-CYBMUJFWSA-N 1 0 375.332 2.720 20 0 GFADRO C[C@@H]1CN(S(=O)(=O)c2c(Cl)cc(F)cc2Br)[C@@H](C)C[NH2+]1 ZINC000156230184 551517475 /nfs/dbraw/zinc/51/74/75/551517475.db2.gz ZCPIHNRRBNOVIL-SFYZADRCSA-N 1 0 385.686 2.613 20 0 GFADRO CC(C)[NH+](CCNC(=O)c1cncc(I)c1)C(C)C ZINC000156256012 551518202 /nfs/dbraw/zinc/51/82/02/551518202.db2.gz NAYNZCAUDBHBBE-UHFFFAOYSA-N 1 0 375.254 2.535 20 0 GFADRO C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)NCCC1CC[NH+](C)CC1 ZINC000156407287 551522422 /nfs/dbraw/zinc/52/24/22/551522422.db2.gz KRPCXJWQCBPHRB-LBPRGKRZSA-N 1 0 386.323 2.960 20 0 GFADRO CC(=O)N1CC[C@@H](C[N@H+](C)C[C@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000156761960 551527838 /nfs/dbraw/zinc/52/78/38/551527838.db2.gz QEFRKQBKTXRAGL-ZFWWWQNUSA-N 1 0 375.296 2.533 20 0 GFADRO C[C@H](C(=O)N(C)C)[NH+]1CCC(C(=O)Nc2ccccc2Br)CC1 ZINC000156872548 551529854 /nfs/dbraw/zinc/52/98/54/551529854.db2.gz ZUILJLCGNOZBLX-GFCCVEGCSA-N 1 0 382.302 2.576 20 0 GFADRO C[N@@H+]1CC[C@H]2[C@H](CCCN2S(=O)(=O)c2cc(F)ccc2Br)C1 ZINC000156911323 551530860 /nfs/dbraw/zinc/53/08/60/551530860.db2.gz AXRPPEYGSHYPHU-RISCZKNCSA-N 1 0 391.306 2.693 20 0 GFADRO CSc1nsc(NC(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2C)n1 ZINC000157032056 551532224 /nfs/dbraw/zinc/53/22/24/551532224.db2.gz AQGLYFFOKAZCRY-UHFFFAOYSA-N 1 0 378.527 2.964 20 0 GFADRO [NH3+][C@H]1CCCN(C(=O)c2cccc(NC(=O)c3ccc(Br)o3)c2)C1 ZINC000157841721 551543232 /nfs/dbraw/zinc/54/32/32/551543232.db2.gz LTSOTKJWCGQCHT-LBPRGKRZSA-N 1 0 392.253 2.858 20 0 GFADRO C[C@H](NC(=O)CCCCOc1ccc(Br)cc1)[C@H]1CN(C)CCO1 ZINC000157961437 551545193 /nfs/dbraw/zinc/54/51/93/551545193.db2.gz NNEWJMMALXKACG-WMLDXEAASA-N 1 0 399.329 2.834 20 0 GFADRO C[C@H](Cc1ccc(Br)cc1)C(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000158231897 551548512 /nfs/dbraw/zinc/54/85/12/551548512.db2.gz VQJINTJGCPAYAU-CRAIPNDOSA-N 1 0 397.357 2.837 20 0 GFADRO O=C(c1ccc(I)c(Cl)c1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000158321587 551549832 /nfs/dbraw/zinc/54/98/32/551549832.db2.gz KRBZSVCCOFZAGY-AWEZNQCLSA-N 1 0 390.652 2.770 20 0 GFADRO Cc1cc(S(=O)(=O)NCC[NH2+]CC2=Cc3ccccc3OC2)c(C)s1 ZINC000158373551 551551332 /nfs/dbraw/zinc/55/13/32/551551332.db2.gz GEIHQUYXPASMLR-UHFFFAOYSA-N 1 0 378.519 2.709 20 0 GFADRO O=C(c1ccncc1Br)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000158729587 551555525 /nfs/dbraw/zinc/55/55/25/551555525.db2.gz OBHKAYRCGJGEGF-UHFFFAOYSA-N 1 0 382.302 2.561 20 0 GFADRO NC(=O)[C@H](c1ccc(Br)cc1F)N1CC[NH+](C2CCCC2)CC1 ZINC000158973129 551559042 /nfs/dbraw/zinc/55/90/42/551559042.db2.gz ZAQMXRNTNQUDFO-INIZCTEOSA-N 1 0 384.293 2.675 20 0 GFADRO C[N@@H+]1CC[C@@H](CNC(=O)c2cc(Br)ccc2Br)C1 ZINC000160149206 551576131 /nfs/dbraw/zinc/57/61/31/551576131.db2.gz YEXOQWKABXGYJN-VIFPVBQESA-N 1 0 376.092 2.893 20 0 GFADRO COCC[N@H+](C)CCNC(=O)c1cc(Br)ccc1Br ZINC000160534818 551581582 /nfs/dbraw/zinc/58/15/82/551581582.db2.gz LLYZXMZPEPVUCY-UHFFFAOYSA-N 1 0 394.107 2.520 20 0 GFADRO [NH3+][C@@H]1CCC[C@H](NC(=O)c2ccc(Cl)c(I)c2)C1 ZINC000161518152 551595491 /nfs/dbraw/zinc/59/54/91/551595491.db2.gz KUCKFYVQDBSDBA-ZJUUUORDSA-N 1 0 378.641 2.944 20 0 GFADRO C[N@H+](CCOc1ccc(Cl)cc1Br)CC1(O)CCOCC1 ZINC000162227174 551605518 /nfs/dbraw/zinc/60/55/18/551605518.db2.gz CNCFZRSGJKLDTA-UHFFFAOYSA-N 1 0 378.694 2.955 20 0 GFADRO CC(C)C[C@H](CNC(=O)C(=O)Nc1cc(F)ccc1Br)[NH+](C)C ZINC000162487238 551609177 /nfs/dbraw/zinc/60/91/77/551609177.db2.gz NVVATDYQAZOXEV-GFCCVEGCSA-N 1 0 388.281 2.619 20 0 GFADRO COC1CCN(CC[NH2+][C@H](C)CC(=O)Nc2ccc(Br)cc2)CC1 ZINC000163727260 551621680 /nfs/dbraw/zinc/62/16/80/551621680.db2.gz GNJDNEQQQSMHCE-CQSZACIVSA-N 1 0 398.345 2.867 20 0 GFADRO CCC[N@@H+]1CC[C@H](CNC(=O)N[C@@H](CO)c2cccc(Br)c2)C1 ZINC000164917944 551627795 /nfs/dbraw/zinc/62/77/95/551627795.db2.gz VKKUARMRJFBFHP-CJNGLKHVSA-N 1 0 384.318 2.514 20 0 GFADRO COCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](Cc2sccc2Br)C1 ZINC000166094778 551630768 /nfs/dbraw/zinc/63/07/68/551630768.db2.gz DICORUMPJPACRI-NWDGAFQWSA-N 1 0 375.332 2.874 20 0 GFADRO C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CC1(N(C)C)CCOCC1 ZINC000168338344 551634776 /nfs/dbraw/zinc/63/47/76/551634776.db2.gz JDNGSHPIPBRQLY-AWEZNQCLSA-N 1 0 398.345 2.867 20 0 GFADRO CN(Cc1cnn(C)c1)C(=O)C[NH2+]C1(c2ccc(Br)cc2)CCC1 ZINC000170643587 551636099 /nfs/dbraw/zinc/63/60/99/551636099.db2.gz JEMXNULMLYCYGF-UHFFFAOYSA-N 1 0 391.313 2.810 20 0 GFADRO Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)c1ccc(C(N)=O)s1 ZINC000171090674 551646346 /nfs/dbraw/zinc/64/63/46/551646346.db2.gz DNMBUMCCFPUQNX-UHFFFAOYSA-N 1 0 375.519 2.957 20 0 GFADRO C[NH+](C)CCNC(=O)C1CCN(Cc2csc(-c3cccs3)n2)CC1 ZINC000171658345 551660264 /nfs/dbraw/zinc/66/02/64/551660264.db2.gz RXPWDFHUFODDRH-UHFFFAOYSA-N 1 0 378.567 2.761 20 0 GFADRO CC(C)NS(=O)(=O)CC[NH2+]CC1=Cc2cc(Cl)cc(Cl)c2OC1 ZINC000171767543 551662546 /nfs/dbraw/zinc/66/25/46/551662546.db2.gz WQSDCUHUIGDMSO-UHFFFAOYSA-N 1 0 379.309 2.687 20 0 GFADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)Cc2ccc(Br)s2)C1 ZINC000172159669 551672018 /nfs/dbraw/zinc/67/20/18/551672018.db2.gz LYZWHWQDDSQTMQ-LBPRGKRZSA-N 1 0 375.332 2.526 20 0 GFADRO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)NCCSC(F)(F)F ZINC000172177473 551672507 /nfs/dbraw/zinc/67/25/07/551672507.db2.gz VFLKJZDMUVZIOX-JSGCOSHPSA-N 1 0 376.448 2.844 20 0 GFADRO COc1c(Br)c(C)sc1C(=O)N[C@@H](C)[C@@H](C)N1CCOCC1 ZINC000173084760 551694919 /nfs/dbraw/zinc/69/49/19/551694919.db2.gz DUOKOQWEIPKSES-VHSXEESVSA-N 1 0 391.331 2.667 20 0 GFADRO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)Nc1ccc(Cl)cc1Br ZINC000415431601 563775630 /nfs/dbraw/zinc/77/56/30/563775630.db2.gz SOCVACORSVFXOF-JTQLQIEISA-N 1 0 376.682 2.531 20 0 GFADRO CN(C[C@@H]1CCC[N@H+](C)C1)S(=O)(=O)c1ccc(F)c(Br)c1 ZINC000173202390 552079535 /nfs/dbraw/zinc/07/95/35/552079535.db2.gz SMVUVJLHRABRHT-LLVKDONJSA-N 1 0 379.295 2.551 20 0 GFADRO O=C(c1ccc(F)c(Br)c1)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000173356792 552083809 /nfs/dbraw/zinc/08/38/09/552083809.db2.gz ZKYWSCAANDEUER-ZDUSSCGKSA-N 1 0 385.277 2.773 20 0 GFADRO O=C(c1ccc(F)c(Br)c1)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000173356780 552084084 /nfs/dbraw/zinc/08/40/84/552084084.db2.gz ZKYWSCAANDEUER-CYBMUJFWSA-N 1 0 385.277 2.773 20 0 GFADRO CC[C@@H](NC(=O)CCN1CC[NH+](CC)CC1)c1nc(C(F)(F)F)cs1 ZINC000173497383 552086630 /nfs/dbraw/zinc/08/66/30/552086630.db2.gz OUFOZIDFAACZCC-GFCCVEGCSA-N 1 0 378.464 2.757 20 0 GFADRO C[C@H](C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1)[N@@H+]1CCC(C)(C)C1 ZINC000173812380 552092490 /nfs/dbraw/zinc/09/24/90/552092490.db2.gz VTIUCWKUYOMCMQ-GFCCVEGCSA-N 1 0 387.933 2.649 20 0 GFADRO CN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)CC[N@@H+]2CCC(C)(C)C2)c1 ZINC000173816208 552092669 /nfs/dbraw/zinc/09/26/69/552092669.db2.gz QQBXGKGCEPGCGE-UHFFFAOYSA-N 1 0 387.933 2.651 20 0 GFADRO CC[NH+](CC)[C@H]1CCN(CC(=O)N(C)Cc2cc(Br)cs2)C1 ZINC000173843269 552093728 /nfs/dbraw/zinc/09/37/28/552093728.db2.gz XEEFKWUSUHOPDH-AWEZNQCLSA-N 1 0 388.375 2.885 20 0 GFADRO C[NH+](C)CCn1ccc(NC(=O)N2CCc3cccc(Br)c3C2)n1 ZINC000173955598 552095773 /nfs/dbraw/zinc/09/57/73/552095773.db2.gz CMOHOVRHUJOTDL-UHFFFAOYSA-N 1 0 392.301 2.797 20 0 GFADRO CC[NH+](CC)CCSCC(=O)c1cc(C)n([C@H]2CCS(=O)(=O)C2)c1C ZINC000174026935 552096959 /nfs/dbraw/zinc/09/69/59/552096959.db2.gz WHBPONVRTGVHIM-INIZCTEOSA-N 1 0 386.583 2.722 20 0 GFADRO CC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2ccc(F)cc2Br)C1 ZINC000174022429 552097135 /nfs/dbraw/zinc/09/71/35/552097135.db2.gz WZBGMRCPFQPPQO-NSHDSACASA-N 1 0 379.295 2.551 20 0 GFADRO O=C(N1CC[C@@H](C[NH+]2CCOCC2)C1)C1(c2cccc(Br)c2)CC1 ZINC000174186561 552101686 /nfs/dbraw/zinc/10/16/86/552101686.db2.gz QSKPJXUHCOLTTO-HNNXBMFYSA-N 1 0 393.325 2.661 20 0 GFADRO O=C([C@@H]1C[C@H]1c1cccc(Br)c1)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000174197945 552101828 /nfs/dbraw/zinc/10/18/28/552101828.db2.gz SHZZDJYWTDLTQY-FHLIZLRMSA-N 1 0 393.325 2.733 20 0 GFADRO CCS[C@@H]1CC[C@H]([N@H+](C)CC(=O)N2CCN(Cc3cccs3)CC2)C1 ZINC000174342508 552102700 /nfs/dbraw/zinc/10/27/00/552102700.db2.gz FLRHPANWOPFYRY-DLBZAZTESA-N 1 0 381.611 2.998 20 0 GFADRO CC(C)OCC[NH+]1CCC(NC(=O)c2cc(Br)ccc2O)CC1 ZINC000174980563 552113067 /nfs/dbraw/zinc/11/30/67/552113067.db2.gz VFUGFOBKTHOAHN-UHFFFAOYSA-N 1 0 385.302 2.774 20 0 GFADRO CC(C)C[C@H](CNC(=O)c1ccc(CS(=O)(=O)C(F)F)cc1)[NH+](C)C ZINC000175211349 552117438 /nfs/dbraw/zinc/11/74/38/552117438.db2.gz WVWTVUJEXHMJMZ-OAHLLOKOSA-N 1 0 376.469 2.530 20 0 GFADRO CC1(C)CN(C(=O)c2ccc(Cl)c(I)c2)CC[NH2+]1 ZINC000175398392 552120870 /nfs/dbraw/zinc/12/08/70/552120870.db2.gz WHQNMIGAZSRRTM-UHFFFAOYSA-N 1 0 378.641 2.769 20 0 GFADRO O[C@H](CN1CCOCC1)C[N@@H+]1CCC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000175930537 552132769 /nfs/dbraw/zinc/13/27/69/552132769.db2.gz DQAYKNGXUWEYJV-ZBFHGGJFSA-N 1 0 389.323 2.530 20 0 GFADRO CC(C)(C)[NH+]1CCC(NC(=O)C(=O)Nc2ccc(Br)cc2)CC1 ZINC000175949709 552132858 /nfs/dbraw/zinc/13/28/58/552132858.db2.gz DSLTWXFZWZVHQN-UHFFFAOYSA-N 1 0 382.302 2.767 20 0 GFADRO O=C(CCc1ccc(Br)cc1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000176432663 552140487 /nfs/dbraw/zinc/14/04/87/552140487.db2.gz DFNADEKSHZKKNU-UHFFFAOYSA-N 1 0 395.341 2.953 20 0 GFADRO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)c2c(F)cccc2Br)CC1 ZINC000176547005 552141423 /nfs/dbraw/zinc/14/14/23/552141423.db2.gz NMJVVISULUQERP-AWEZNQCLSA-N 1 0 398.320 2.830 20 0 GFADRO Cc1sc(Br)cc1S(=O)(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000176582733 552141852 /nfs/dbraw/zinc/14/18/52/552141852.db2.gz HNYGYUXXNUNOKX-UHFFFAOYSA-N 1 0 393.372 2.972 20 0 GFADRO C[C@H]([NH2+]CCN1CCN(c2ncccn2)CC1)c1ccc(Br)cc1 ZINC000177229156 552151886 /nfs/dbraw/zinc/15/18/86/552151886.db2.gz FITAPVMUDZXTNK-HNNXBMFYSA-N 1 0 390.329 2.712 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)c2c[nH]c(=O)c(Br)c2)C[N@@H+]1Cc1ccccc1 ZINC000177454768 552154942 /nfs/dbraw/zinc/15/49/42/552154942.db2.gz MZUMIKROXPKXAE-IUODEOHRSA-N 1 0 390.281 2.530 20 0 GFADRO CC(C)OCCOC[C@H](O)C[N@H+](C)Cc1ccc(Br)c(F)c1 ZINC000177733113 552158148 /nfs/dbraw/zinc/15/81/48/552158148.db2.gz CWUIGXFPEWYVKX-CQSZACIVSA-N 1 0 378.282 2.823 20 0 GFADRO O=C(c1cc(Br)ccc1Cl)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000178077935 552163823 /nfs/dbraw/zinc/16/38/23/552163823.db2.gz TXZDMOHVRQCKOU-LBPRGKRZSA-N 1 0 387.705 2.897 20 0 GFADRO O=C(c1ccc(F)c(I)c1)N1CCC[N@@H+](C2CC2)CC1 ZINC000178180782 552166525 /nfs/dbraw/zinc/16/65/25/552166525.db2.gz RPUHQUVWABRLBT-UHFFFAOYSA-N 1 0 388.224 2.741 20 0 GFADRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3cc4c(c(Br)c3)OCO4)CC[C@@H]21 ZINC000178574450 552172416 /nfs/dbraw/zinc/17/24/16/552172416.db2.gz IVDHYZRDDXSMAH-FZMZJTMJSA-N 1 0 381.270 2.734 20 0 GFADRO CCS(=O)(=O)NCCC[N@H+](Cc1cccc(Br)c1)C1CC1 ZINC000178884327 552178065 /nfs/dbraw/zinc/17/80/65/552178065.db2.gz PLAYLLPNKUUHMJ-UHFFFAOYSA-N 1 0 375.332 2.743 20 0 GFADRO O=C(CCc1nc(-c2cc(Br)cs2)no1)NCC[C@@H]1CC[NH2+]C1 ZINC000178939438 552179675 /nfs/dbraw/zinc/17/96/75/552179675.db2.gz DUBNYEPCTCLOCX-JTQLQIEISA-N 1 0 399.314 2.609 20 0 GFADRO CC[N@H+](CC(=O)N[C@H](C)c1cc2c(cc1Br)OCCO2)C1CC1 ZINC000179159584 552185775 /nfs/dbraw/zinc/18/57/75/552185775.db2.gz BLVVHGKWXNWRMY-LLVKDONJSA-N 1 0 383.286 2.882 20 0 GFADRO CNC(=O)CC[N@H+](C)Cc1cc(Br)cc(Br)c1OC ZINC000179410772 552192748 /nfs/dbraw/zinc/19/27/48/552192748.db2.gz LTSNHVIVBUFQCY-UHFFFAOYSA-N 1 0 394.107 2.788 20 0 GFADRO O=C(NCCSC(F)(F)F)c1ccc(C[NH+]2CCC(CO)CC2)cc1 ZINC000179713492 552200712 /nfs/dbraw/zinc/20/07/12/552200712.db2.gz FGOYGRHTSLGADR-UHFFFAOYSA-N 1 0 376.444 2.874 20 0 GFADRO CC(C)C[C@H]([NH2+]CCNS(=O)(=O)c1cnn(C)c1)c1ccc(Cl)cc1 ZINC000179720396 552201327 /nfs/dbraw/zinc/20/13/27/552201327.db2.gz LOUKGDHXVXAADH-KRWDZBQOSA-N 1 0 384.933 2.729 20 0 GFADRO C[NH+](C)CCCNC(=O)CSc1n[nH]c(-c2cc(Cl)cc(Cl)c2)n1 ZINC000179890392 552205986 /nfs/dbraw/zinc/20/59/86/552205986.db2.gz SYUGKYRLVFROLE-UHFFFAOYSA-N 1 0 388.324 2.939 20 0 GFADRO C[C@H]([NH2+]CCc1ccc(Br)cc1)c1ccc(S(N)(=O)=O)cc1 ZINC000180120938 552213670 /nfs/dbraw/zinc/21/36/70/552213670.db2.gz YNSIFTZUEFQJEN-LBPRGKRZSA-N 1 0 383.311 2.990 20 0 GFADRO C[C@@H]([NH2+][C@@H]1CCN(c2cccc(Cl)c2)C1)c1ccc(S(N)(=O)=O)cc1 ZINC000180145550 552215082 /nfs/dbraw/zinc/21/50/82/552215082.db2.gz VBAQNXHQDSDOBD-CZUORRHYSA-N 1 0 379.913 2.917 20 0 GFADRO O=S(=O)(CC[NH2+][C@H](c1ccc(Cl)cc1)C1CC1)NC[C@@H]1CCCCO1 ZINC000180172481 552216167 /nfs/dbraw/zinc/21/61/67/552216167.db2.gz PYOAIFJFDQBDMZ-ROUUACIJSA-N 1 0 386.945 2.869 20 0 GFADRO O=S(=O)(CC[NH2+][C@@H](c1ccc(Cl)cc1)C1CC1)NC[C@@H]1CCCCO1 ZINC000180172463 552216219 /nfs/dbraw/zinc/21/62/19/552216219.db2.gz PYOAIFJFDQBDMZ-ZWKOTPCHSA-N 1 0 386.945 2.869 20 0 GFADRO OC1(C[NH2+]C2CCN(Cc3ccccc3Br)CC2)CCOCC1 ZINC000180247554 552219136 /nfs/dbraw/zinc/21/91/36/552219136.db2.gz TUIRJLKOQQNYNX-UHFFFAOYSA-N 1 0 383.330 2.545 20 0 GFADRO CC(C)[NH2+]C1CCN(C(=O)C(=O)Nc2cc(F)ccc2Br)CC1 ZINC000180363209 552224178 /nfs/dbraw/zinc/22/41/78/552224178.db2.gz LSADCXAATXSOQN-UHFFFAOYSA-N 1 0 386.265 2.516 20 0 GFADRO Cc1nn(C)c(C)c1CCC[NH2+][C@H](C(N)=O)c1ccc(Br)cc1 ZINC000180603521 552231328 /nfs/dbraw/zinc/23/13/28/552231328.db2.gz ZLAROHZKMOWLSN-INIZCTEOSA-N 1 0 379.302 2.548 20 0 GFADRO Cc1n[nH]cc1[C@H](C)[NH2+]CCc1ccc(S(=O)(=O)N2CCCCC2)s1 ZINC000180648568 552232600 /nfs/dbraw/zinc/23/26/00/552232600.db2.gz KTDHSGLHEMAEJI-ZDUSSCGKSA-N 1 0 382.555 2.848 20 0 GFADRO CCOC(=O)CNC(=O)C1CC[NH+](Cc2ccc(Br)cc2C)CC1 ZINC000180771982 552235652 /nfs/dbraw/zinc/23/56/52/552235652.db2.gz REFZBRAJVIAAFY-UHFFFAOYSA-N 1 0 397.313 2.649 20 0 GFADRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+]CC(=O)Nc2cccc(Cl)c2)cc1 ZINC000181052312 552244193 /nfs/dbraw/zinc/24/41/93/552244193.db2.gz BCDYAISMERUXRC-LBPRGKRZSA-N 1 0 381.885 2.537 20 0 GFADRO Brc1ccc2c(c1)C=C(C[NH2+]C[C@H]1COC3(CCOCC3)O1)CO2 ZINC000181080963 552245784 /nfs/dbraw/zinc/24/57/84/552245784.db2.gz BVATZUSSBVXVIR-INIZCTEOSA-N 1 0 396.281 2.737 20 0 GFADRO CS(=O)(=O)CCOCC[NH2+][C@@H]1CCCc2nc(-c3ccccc3)sc21 ZINC000181149586 552248514 /nfs/dbraw/zinc/24/85/14/552248514.db2.gz USZWWBMAGXPAOQ-OAHLLOKOSA-N 1 0 380.535 2.838 20 0 GFADRO CC[C@@H]1CN(C(=O)Nc2cc(F)ccc2Br)CC[N@@H+]1C[C@@H](C)O ZINC000181234111 552250899 /nfs/dbraw/zinc/25/08/99/552250899.db2.gz QOLJXSWBGLCVKO-DGCLKSJQSA-N 1 0 388.281 2.897 20 0 GFADRO CCNC(=O)N1CC[C@H]([NH2+][C@H](C)CC(=O)Nc2ccc(Br)cc2)C1 ZINC000181332165 552253720 /nfs/dbraw/zinc/25/37/20/552253720.db2.gz BJLDOYAAZHOIRR-DOMZBBRYSA-N 1 0 397.317 2.560 20 0 GFADRO COC(=O)c1ccc(C[NH2+]CCCNC(=O)c2cccc(Br)c2)o1 ZINC000181377209 552254748 /nfs/dbraw/zinc/25/47/48/552254748.db2.gz OJGVGFCAHQVYSK-UHFFFAOYSA-N 1 0 395.253 2.738 20 0 GFADRO COC(=O)c1ccc(C[NH2+]CCC(=O)Nc2ccc(Br)cc2)o1 ZINC000181385669 552255353 /nfs/dbraw/zinc/25/53/53/552255353.db2.gz DWEGUSHJKPQAQY-UHFFFAOYSA-N 1 0 381.226 2.947 20 0 GFADRO COc1ccc([C@H](C)[NH2+]CCNS(=O)(=O)c2ccc(C)s2)cc1OC ZINC000181509669 552258874 /nfs/dbraw/zinc/25/88/74/552258874.db2.gz TVQXXNSKUREDKX-ZDUSSCGKSA-N 1 0 384.523 2.703 20 0 GFADRO CC(=O)Nc1cccc([C@H](C)[NH2+]CCNS(=O)(=O)c2ccc(C)s2)c1 ZINC000181510932 552259080 /nfs/dbraw/zinc/25/90/80/552259080.db2.gz MYJSDZWQBOBWJI-ZDUSSCGKSA-N 1 0 381.523 2.644 20 0 GFADRO CC(C)([NH2+]CCCN1C(=O)NC(C)(C)C1=O)c1ccccc1Br ZINC000181518255 552259323 /nfs/dbraw/zinc/25/93/23/552259323.db2.gz YOPWHTZCBIQWEV-UHFFFAOYSA-N 1 0 382.302 2.994 20 0 GFADRO O=S(=O)(C[C@@H](O)C[NH2+][C@H]1CCCOc2ccc(F)cc21)c1cccs1 ZINC000181639813 552263375 /nfs/dbraw/zinc/26/33/75/552263375.db2.gz PTAJPCDGGGKPGH-ZFWWWQNUSA-N 1 0 385.482 2.525 20 0 GFADRO CN(C)C(=O)N1CCC([NH2+]CCC(=O)Nc2ccc(Br)cc2)CC1 ZINC000181735256 552266496 /nfs/dbraw/zinc/26/64/96/552266496.db2.gz IZJPNBGVRORMFQ-UHFFFAOYSA-N 1 0 397.317 2.513 20 0 GFADRO Cc1c([C@@H](C)[NH2+]CC2CCS(=O)(=O)CC2)nnn1-c1cccc(Cl)c1 ZINC000181761295 552267165 /nfs/dbraw/zinc/26/71/65/552267165.db2.gz BNZVGEXZZKUWFY-GFCCVEGCSA-N 1 0 382.917 2.705 20 0 GFADRO CS(=O)(=O)C[C@@H](NCC(=O)Nc1cc(Cl)ccc1F)c1ccccc1 ZINC000181790265 552267608 /nfs/dbraw/zinc/26/76/08/552267608.db2.gz SNMZXLAQAYRMHI-MRXNPFEDSA-N 1 0 384.860 2.793 20 0 GFADRO CC(=O)N1CC[N@H+](CCC(=O)Nc2cccc(Br)c2)C(C)(C)C1 ZINC000182207081 552278522 /nfs/dbraw/zinc/27/85/22/552278522.db2.gz IGZRYIHQIBDFNR-UHFFFAOYSA-N 1 0 382.302 2.720 20 0 GFADRO O=C(CCc1cc(F)ccc1Br)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000182513570 552286560 /nfs/dbraw/zinc/28/65/60/552286560.db2.gz KTCWYRNZWCBMGQ-CQSZACIVSA-N 1 0 399.304 2.702 20 0 GFADRO CC[C@@H]([NH2+]CC(=O)Nc1cccc(S(N)(=O)=O)c1)c1cccc(Cl)c1 ZINC000182597349 552288509 /nfs/dbraw/zinc/28/85/09/552288509.db2.gz QGCJFKDOCUZZBI-MRXNPFEDSA-N 1 0 381.885 2.667 20 0 GFADRO CS(=O)(=O)[C@@H]1CCCC[C@H]1[NH2+]Cc1cc2c(c(Br)c1)OCO2 ZINC000182612133 552289108 /nfs/dbraw/zinc/28/91/08/552289108.db2.gz HBGDAMWPHHTZNQ-TZMCWYRMSA-N 1 0 390.299 2.623 20 0 GFADRO C[C@H]([NH3+])C1CCN(S(=O)(=O)c2ccc(Br)c(Cl)c2)CC1 ZINC000183145659 552301689 /nfs/dbraw/zinc/30/16/89/552301689.db2.gz YBKZAQPIASNJDF-VIFPVBQESA-N 1 0 381.723 2.850 20 0 GFADRO COC[C@H]([NH2+]CC(=O)Nc1ccc(I)cc1C)C1CC1 ZINC000183447182 552310099 /nfs/dbraw/zinc/31/00/99/552310099.db2.gz PZMUUEMPJVPVIB-AWEZNQCLSA-N 1 0 388.249 2.553 20 0 GFADRO CC[C@@H](CO)[NH+]1CCN([C@@H](C(=O)OC)c2cccc(Cl)c2Cl)CC1 ZINC000183597392 552313881 /nfs/dbraw/zinc/31/38/81/552313881.db2.gz IHKLAOZFSKKHJI-BLLLJJGKSA-N 1 0 375.296 2.596 20 0 GFADRO CC[NH+](CC)CCCCNC(=O)c1cc2c(cc1Br)NC(=O)CO2 ZINC000183589329 552314229 /nfs/dbraw/zinc/31/42/29/552314229.db2.gz FUIZASWWCRQPSQ-UHFFFAOYSA-N 1 0 398.301 2.632 20 0 GFADRO O[C@@H]1C[C@H](C[NH2+]Cc2cncc(Br)c2)N(Cc2ccccc2)C1 ZINC000183756272 552318536 /nfs/dbraw/zinc/31/85/36/552318536.db2.gz SZJAGSQAUVSORN-QZTJIDSGSA-N 1 0 376.298 2.569 20 0 GFADRO OC[C@@H]([NH2+]C[C@H](O)COCc1cccs1)c1cccc(Br)c1 ZINC000183910791 552322567 /nfs/dbraw/zinc/32/25/67/552322567.db2.gz YKWODXKTGMBFQD-GOEBONIOSA-N 1 0 386.311 2.711 20 0 GFADRO Cc1cnc(C(C)(C)[NH2+]CCOc2ccc(S(=O)(=O)N(C)C)cc2)s1 ZINC000183923330 552323375 /nfs/dbraw/zinc/32/33/75/552323375.db2.gz MLIBHQNORMEFFP-UHFFFAOYSA-N 1 0 383.539 2.606 20 0 GFADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)C[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000184065968 552326852 /nfs/dbraw/zinc/32/68/52/552326852.db2.gz QERUCFMOUKAPLR-DYVFJYSZSA-N 1 0 388.339 2.559 20 0 GFADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)CCc1ccccc1Br ZINC000184357626 552333361 /nfs/dbraw/zinc/33/33/61/552333361.db2.gz WJCQXBBCYUWBBQ-OAHLLOKOSA-N 1 0 382.346 2.524 20 0 GFADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)c1cc(Cl)ccc1Br ZINC000184387670 552334614 /nfs/dbraw/zinc/33/46/14/552334614.db2.gz RYNXWKJPCBOYGY-GFCCVEGCSA-N 1 0 388.737 2.858 20 0 GFADRO CN(C)C(=O)CCC[NH2+]Cc1cc(Br)cc(Br)c1N ZINC000185818319 552371307 /nfs/dbraw/zinc/37/13/07/552371307.db2.gz SXNIFOPPWXOCEO-UHFFFAOYSA-N 1 0 393.123 2.752 20 0 GFADRO COc1cc(NC(=O)N[C@@H](C)CC[NH+]2CCN(C)CC2)ccc1Br ZINC000184459133 552335786 /nfs/dbraw/zinc/33/57/86/552335786.db2.gz XPXWGZAYAPQWCH-ZDUSSCGKSA-N 1 0 399.333 2.605 20 0 GFADRO C[NH+](C)[C@H]1CCC[C@@H](NS(=O)(=O)c2ccc(Br)cc2F)C1 ZINC000185062649 552353013 /nfs/dbraw/zinc/35/30/13/552353013.db2.gz FJYJILGVUOJMKJ-NEPJUHHUSA-N 1 0 379.295 2.739 20 0 GFADRO C[NH+]1CCN(CCC(C)(C)NS(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000185439190 552363308 /nfs/dbraw/zinc/36/33/08/552363308.db2.gz DVCSZZAVKAVNFW-UHFFFAOYSA-N 1 0 394.368 2.688 20 0 GFADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)N[C@@H](C)c1ccc(Br)cc1 ZINC000185458404 552364001 /nfs/dbraw/zinc/36/40/01/552364001.db2.gz MSIUGEHOXJAYJZ-CABCVRRESA-N 1 0 397.361 2.835 20 0 GFADRO C[C@H](C[S@](C)=O)[NH2+]Cc1cc(Br)cc(Br)c1N ZINC000185897490 552373570 /nfs/dbraw/zinc/37/35/70/552373570.db2.gz ZTRXFGMILXONRX-GJEGPGMTSA-N 1 0 384.137 2.650 20 0 GFADRO CN(C[C@H](O)C(F)(F)F)C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000186292049 552384027 /nfs/dbraw/zinc/38/40/27/552384027.db2.gz XAWCMQVRZLTCFJ-FPMFFAJLSA-N 1 0 379.448 2.696 20 0 GFADRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)COc1ccc(Cl)c(Cl)c1 ZINC000186873868 552400126 /nfs/dbraw/zinc/40/01/26/552400126.db2.gz OAUXYYGKFJKRBX-LBPRGKRZSA-N 1 0 375.296 2.676 20 0 GFADRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)c1cc2c(cccc2Br)[nH]1 ZINC000186880177 552400178 /nfs/dbraw/zinc/40/01/78/552400178.db2.gz SZNRPTDDOBBGTR-LBPRGKRZSA-N 1 0 394.313 2.848 20 0 GFADRO C[C@@H]1CN(C(=O)Nc2ccc(Br)cc2F)CC[N@@H+]1CC(C)(C)O ZINC000186940008 552401579 /nfs/dbraw/zinc/40/15/79/552401579.db2.gz ZTPQEZNLIMGRKD-LLVKDONJSA-N 1 0 388.281 2.897 20 0 GFADRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)CCc1cccc(Br)c1 ZINC000186962695 552402190 /nfs/dbraw/zinc/40/21/90/552402190.db2.gz BBZDMRXTEYBSCP-AWEZNQCLSA-N 1 0 383.330 2.685 20 0 GFADRO Cc1cc(Br)c(F)cc1NC(=O)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000187086824 552406109 /nfs/dbraw/zinc/40/61/09/552406109.db2.gz VJIAVTRLHDIDEE-UHFFFAOYSA-N 1 0 398.276 2.578 20 0 GFADRO Cc1cc(Br)cc(S(=O)(=O)N(C)CC2CC[NH+](C)CC2)c1 ZINC000187152666 552407724 /nfs/dbraw/zinc/40/77/24/552407724.db2.gz NZQJTEFAFJIGBP-UHFFFAOYSA-N 1 0 375.332 2.720 20 0 GFADRO CC(C)[C@@](C)(O)C[NH+]1CCC(C(=O)Nc2ccc(Br)cn2)CC1 ZINC000187208053 552409278 /nfs/dbraw/zinc/40/92/78/552409278.db2.gz CXILSMGFILDSKB-KRWDZBQOSA-N 1 0 384.318 2.902 20 0 GFADRO COCCNC(=O)[C@H](CC(C)C)[NH2+]Cc1cccc(Br)c1OC ZINC000187340588 552412771 /nfs/dbraw/zinc/41/27/71/552412771.db2.gz RMZFWXCFQAIOAR-HNNXBMFYSA-N 1 0 387.318 2.725 20 0 GFADRO CN1C[C@@H]([NH2+]Cc2cc(Br)cc(Br)c2N)CCC1=O ZINC000187402821 552415003 /nfs/dbraw/zinc/41/50/03/552415003.db2.gz CKKZMTVKERTVBC-JTQLQIEISA-N 1 0 391.107 2.504 20 0 GFADRO C[C@H](Cc1ccc(Br)cc1)[NH2+]CCc1ccc(S(N)(=O)=O)cc1 ZINC000188112687 552435747 /nfs/dbraw/zinc/43/57/47/552435747.db2.gz RKSIGYZMWMKUMZ-CYBMUJFWSA-N 1 0 397.338 2.860 20 0 GFADRO Cc1ccc(Br)nc1C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000188178555 552438069 /nfs/dbraw/zinc/43/80/69/552438069.db2.gz BNQIKXGSSXENNO-UHFFFAOYSA-N 1 0 396.329 2.870 20 0 GFADRO Cc1c(Br)cccc1NC(=O)C(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000188209250 552439075 /nfs/dbraw/zinc/43/90/75/552439075.db2.gz VGMDRFHGLNBDCE-UHFFFAOYSA-N 1 0 382.302 2.639 20 0 GFADRO CCN(CCC[NH+]1CCCC1)S(=O)(=O)c1ccc(OCC(F)F)cc1 ZINC000188257891 552440746 /nfs/dbraw/zinc/44/07/46/552440746.db2.gz RMVYMTROGURHIS-UHFFFAOYSA-N 1 0 376.469 2.827 20 0 GFADRO C[C@]1(c2ccccc2)CC[C@H]([NH2+]C[C@H](O)CS(=O)(=O)c2cccs2)C1 ZINC000188264877 552440909 /nfs/dbraw/zinc/44/09/09/552440909.db2.gz DZSPMKOVUBHYHZ-LNLFQRSKSA-N 1 0 379.547 2.983 20 0 GFADRO C[C@H](Cc1ccc(Br)cc1)[NH2+]C[C@@H]1CCC[C@@H]1NS(C)(=O)=O ZINC000188305849 552441857 /nfs/dbraw/zinc/44/18/57/552441857.db2.gz LLKOPQNMOZAQJF-INWMFGNUSA-N 1 0 389.359 2.688 20 0 GFADRO Cc1cc(I)cc(C(=O)N2CC[NH+]3CCC2CC3)c1C ZINC000188670240 552451402 /nfs/dbraw/zinc/45/14/02/552451402.db2.gz NBQRKXYJAHFILO-UHFFFAOYSA-N 1 0 384.261 2.828 20 0 GFADRO C[C@H]1CN(C(=O)CCc2cccc(Br)c2)CC[N@@H+]1CC(C)(C)O ZINC000188727135 552453309 /nfs/dbraw/zinc/45/33/09/552453309.db2.gz HLVJWHLVQSFKLM-AWEZNQCLSA-N 1 0 383.330 2.685 20 0 GFADRO CCN(CCC[NH+](C)C)C(=O)c1cc(=O)[nH]c2c(Br)cccc12 ZINC000188917432 552458560 /nfs/dbraw/zinc/45/85/60/552458560.db2.gz VPFZAMPFDTYWDS-UHFFFAOYSA-N 1 0 380.286 2.704 20 0 GFADRO COc1cc(C[NH2+][C@@H](C)[C@@H](C)OC)cc(I)c1OC ZINC000189123275 552463551 /nfs/dbraw/zinc/46/35/51/552463551.db2.gz UKYWRJYXIFDRJT-VHSXEESVSA-N 1 0 379.238 2.821 20 0 GFADRO C[C@H](C[NH+]1CCCCC1)NS(=O)(=O)Cc1ccc(Br)cc1 ZINC000189129344 552464045 /nfs/dbraw/zinc/46/40/45/552464045.db2.gz CUEDPFVQQVOEJH-CYBMUJFWSA-N 1 0 375.332 2.743 20 0 GFADRO CCC[NH+]1CCC(N(C)C(=O)C(=O)Nc2ccc(Br)cc2)CC1 ZINC000189270482 552467612 /nfs/dbraw/zinc/46/76/12/552467612.db2.gz WOXZRXIKIRAMBT-UHFFFAOYSA-N 1 0 382.302 2.720 20 0 GFADRO CCN(C)C(=O)[C@@H](C)[NH2+]C1CCN(Cc2ccccc2Br)CC1 ZINC000189407594 552471109 /nfs/dbraw/zinc/47/11/09/552471109.db2.gz VJGHKNPCNJAASL-CQSZACIVSA-N 1 0 382.346 2.870 20 0 GFADRO CC[C@@H](Cc1cccc(Br)c1)C(=O)NCC[N@@H+]1CCCOCC1 ZINC000189458710 552471958 /nfs/dbraw/zinc/47/19/58/552471958.db2.gz VRFBBBSJBXQKLF-INIZCTEOSA-N 1 0 383.330 2.856 20 0 GFADRO C[N@H+](Cc1ccnc(-c2ccc(Br)cc2)n1)CC1(O)CCOCC1 ZINC000189757487 552479087 /nfs/dbraw/zinc/47/90/87/552479087.db2.gz PZLFABJOVPNEFZ-UHFFFAOYSA-N 1 0 392.297 2.879 20 0 GFADRO CCCN(CCC[NH+](C)C)C(=O)C(=O)Nc1cc(C)ccc1Br ZINC000190159111 552489185 /nfs/dbraw/zinc/48/91/85/552489185.db2.gz GTMHJLKMURLDRH-UHFFFAOYSA-N 1 0 384.318 2.886 20 0 GFADRO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1cc(F)ccc1Br ZINC000190353684 552493441 /nfs/dbraw/zinc/49/34/41/552493441.db2.gz NSYYKJXFGOKWSN-CHWSQXEVSA-N 1 0 398.276 2.612 20 0 GFADRO C[C@@H]1CSCC[N@H+](CC(=O)Nc2cccc(I)c2)C1 ZINC000190451193 552497162 /nfs/dbraw/zinc/49/71/62/552497162.db2.gz SLXVKYZEXFSYCW-NSHDSACASA-N 1 0 390.290 2.915 20 0 GFADRO C[NH+]1CCC(NS(=O)(=O)c2cc(Cl)c(Br)cc2F)CC1 ZINC000190638038 552504309 /nfs/dbraw/zinc/50/43/09/552504309.db2.gz WOCBFBFUVHVVQP-UHFFFAOYSA-N 1 0 385.686 2.614 20 0 GFADRO CS(=O)(=O)N1CCC[C@@H]1C[NH2+][C@@H](c1ccc(Br)s1)C1CC1 ZINC000190653449 552505015 /nfs/dbraw/zinc/50/50/15/552505015.db2.gz NGJXUWFXKZWIAZ-BXUZGUMPSA-N 1 0 393.372 2.975 20 0 GFADRO CCN(CCC[NH+]1CCCC1)C(=O)C(=O)Nc1ccccc1Br ZINC000190688740 552505888 /nfs/dbraw/zinc/50/58/88/552505888.db2.gz GRHDECXBGHCRAB-UHFFFAOYSA-N 1 0 382.302 2.722 20 0 GFADRO Cc1cc(NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)cc(C)c1Br ZINC000190834977 552510542 /nfs/dbraw/zinc/51/05/42/552510542.db2.gz GMJKCJFVVPKXCX-ZFWWWQNUSA-N 1 0 396.329 2.803 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2cc(C)cc(Br)c2)[C@H](C)C1 ZINC000190847735 552511140 /nfs/dbraw/zinc/51/11/40/552511140.db2.gz OMFQIXLRNAXUGE-CZUORRHYSA-N 1 0 396.329 2.885 20 0 GFADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)Cc2ccc(I)cc2)C1 ZINC000190956465 552514509 /nfs/dbraw/zinc/51/45/09/552514509.db2.gz ZRKVMHKQUGWUFX-AWEZNQCLSA-N 1 0 386.277 2.634 20 0 GFADRO CCN(C)c1ccc(C[NH2+]CCNC(=O)c2cccc(Br)c2)cn1 ZINC000191040534 552516700 /nfs/dbraw/zinc/51/67/00/552516700.db2.gz UCJDLOGELPYFPD-UHFFFAOYSA-N 1 0 391.313 2.820 20 0 GFADRO Cn1cccc1C(=O)Nc1ccc(CN2CC[NH+](C)CC2)c(Br)c1 ZINC000191082475 552518059 /nfs/dbraw/zinc/51/80/59/552518059.db2.gz HAURZBKHAFTRHY-UHFFFAOYSA-N 1 0 391.313 2.787 20 0 GFADRO CC[C@H](O)CN1CCN(C(=O)Nc2cc(Cl)c(Cl)cc2OC)CC1 ZINC000191278916 552523723 /nfs/dbraw/zinc/52/37/23/552523723.db2.gz QKDOYZVXPRATGD-NSHDSACASA-N 1 0 376.284 2.922 20 0 GFADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(Br)c(F)cc1F ZINC000192062758 552548538 /nfs/dbraw/zinc/54/85/38/552548538.db2.gz KZGGJXYNAQUSLS-SNVBAGLBSA-N 1 0 377.229 2.568 20 0 GFADRO O=C(C[C@@H]1CSCCS1)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000192220605 552556788 /nfs/dbraw/zinc/55/67/88/552556788.db2.gz RZKYVENWKFMKMO-ZWKOTPCHSA-N 1 0 380.579 2.632 20 0 GFADRO O=C(NCC[N@@H+]1CCCOCC1)Nc1c(F)cc(F)cc1Br ZINC000192280342 552557870 /nfs/dbraw/zinc/55/78/70/552557870.db2.gz CFHHSNJRLBSHCK-UHFFFAOYSA-N 1 0 378.217 2.571 20 0 GFADRO CC(C)[C@](C)([NH2+]Cc1cc(=O)n(C)c(=O)n1C)c1ccc(Br)cc1 ZINC000192372412 552560898 /nfs/dbraw/zinc/56/08/98/552560898.db2.gz DXEMEPGJHPVHAU-SFHVURJKSA-N 1 0 394.313 2.508 20 0 GFADRO COc1cc(Cl)c(S(=O)(=O)N(C)CCCn2ccnc2C)cc1OC ZINC000192823647 552975196 /nfs/dbraw/zinc/97/51/96/552975196.db2.gz ZGNGMVAQOWOCAR-UHFFFAOYSA-N 1 0 387.889 2.573 20 0 GFADRO C[C@@H](O)C[N@@H+]1CCN(Cc2coc(-c3ccc(Br)cc3)n2)[C@H](C)C1 ZINC000192824799 552975221 /nfs/dbraw/zinc/97/52/21/552975221.db2.gz PCVHKKHBEKUBEY-ZIAGYGMSSA-N 1 0 394.313 2.991 20 0 GFADRO O=S(=O)(CC[NH2+]Cc1cnc(-c2ccco2)s1)NCc1ccccc1 ZINC000193053738 552981829 /nfs/dbraw/zinc/98/18/29/552981829.db2.gz UNYGIERRLWJVQI-UHFFFAOYSA-N 1 0 377.491 2.612 20 0 GFADRO C[N@@H+]1CCCN(C(=O)[C@@H]2CCCN2C(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000193130669 552984395 /nfs/dbraw/zinc/98/43/95/552984395.db2.gz FOJVDKDCOOIOLW-INIZCTEOSA-N 1 0 384.307 2.762 20 0 GFADRO CN(C1CC[NH2+]CC1)S(=O)(=O)c1cc(Cl)c(Br)cc1F ZINC000193237071 552987252 /nfs/dbraw/zinc/98/72/52/552987252.db2.gz GADXDSZFVWYLSA-UHFFFAOYSA-N 1 0 385.686 2.614 20 0 GFADRO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N(C)CC[C@@H]([NH3+])C(C)C ZINC000193303454 552989430 /nfs/dbraw/zinc/98/94/30/552989430.db2.gz KZPPSOGJQLQNRK-DZGCQCFKSA-N 1 0 392.949 2.748 20 0 GFADRO C[NH2+]C[C@H]1CCCN1S(=O)(=O)c1ccc2cc(Br)ccc2c1 ZINC000193301586 552989713 /nfs/dbraw/zinc/98/97/13/552989713.db2.gz FTIGNQDWOCJJPO-OAHLLOKOSA-N 1 0 383.311 2.975 20 0 GFADRO C[C@H]1Cc2cc(S(=O)(=O)NCc3ccc4c(c3)C[NH2+]C4)cc(Cl)c2O1 ZINC000193430412 552992868 /nfs/dbraw/zinc/99/28/68/552992868.db2.gz CUPWMASSOUFOFL-NSHDSACASA-N 1 0 378.881 2.745 20 0 GFADRO C[NH+](C)CCN(Cc1ccco1)C(=O)[C@H]1Cc2cc(Br)ccc2O1 ZINC000193588366 552997398 /nfs/dbraw/zinc/99/73/98/552997398.db2.gz GGBLPSRHMGSFLQ-QGZVFWFLSA-N 1 0 393.281 2.936 20 0 GFADRO C=Cn1cc(C[N@H+]2CCC[C@H](C(=O)Nc3ccc(Br)cn3)C2)cn1 ZINC000193738866 553001678 /nfs/dbraw/zinc/00/16/78/553001678.db2.gz LFHUASLPHXQCDL-AWEZNQCLSA-N 1 0 390.285 2.992 20 0 GFADRO CC[NH+](CC)CCC[C@H](C)NC(=O)CNC(=O)c1ccc(Br)cc1 ZINC000194128427 553012353 /nfs/dbraw/zinc/01/23/53/553012353.db2.gz NUHWUUZAKZAYKP-AWEZNQCLSA-N 1 0 398.345 2.806 20 0 GFADRO COCCN(CC[NH+](C)C)C(=O)Nc1ccc(Br)c(C)c1F ZINC000194212577 553014958 /nfs/dbraw/zinc/01/49/58/553014958.db2.gz KROLZEWWIGNKET-UHFFFAOYSA-N 1 0 376.270 2.939 20 0 GFADRO Cc1c(Br)ccc(NC(=O)N[C@H](C)CN2CC[NH+](C)CC2)c1F ZINC000194221081 553015089 /nfs/dbraw/zinc/01/50/89/553015089.db2.gz DRASGRLDBNUUGP-LLVKDONJSA-N 1 0 387.297 2.654 20 0 GFADRO C[NH+](C)CCC1CCN(S(=O)(=O)c2ccc(F)cc2Br)CC1 ZINC000194379128 553019107 /nfs/dbraw/zinc/01/91/07/553019107.db2.gz IVRLYJJJDGIYML-UHFFFAOYSA-N 1 0 393.322 2.941 20 0 GFADRO CC(C)CNC(=O)c1ccc(NC(=O)c2csc(CC[NH3+])n2)cc1Cl ZINC000194784990 553029954 /nfs/dbraw/zinc/02/99/54/553029954.db2.gz PYJNAMDZMUQZQW-UHFFFAOYSA-N 1 0 380.901 2.936 20 0 GFADRO Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)c1ccc(C(N)=O)s1 ZINC000195199970 553040905 /nfs/dbraw/zinc/04/09/05/553040905.db2.gz WQWOGIPRXAKIMO-UHFFFAOYSA-N 1 0 375.519 2.957 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)c2ccc(F)cc2I)C1 ZINC000226265723 553061511 /nfs/dbraw/zinc/06/15/11/553061511.db2.gz HMFADQRGDOIFLH-NXEZZACHSA-N 1 0 376.213 2.630 20 0 GFADRO C[NH2+]C[C@H]1CCCN1C(=O)c1ccc(I)c(Cl)c1 ZINC000226287899 553061566 /nfs/dbraw/zinc/06/15/66/553061566.db2.gz FDJZXEDJIFFURL-SNVBAGLBSA-N 1 0 378.641 2.769 20 0 GFADRO [NH3+]CC1(NC(=O)c2ccc(I)c(Cl)c2)CCCC1 ZINC000226253487 553061669 /nfs/dbraw/zinc/06/16/69/553061669.db2.gz LPWYWZNUYZPWJC-UHFFFAOYSA-N 1 0 378.641 2.946 20 0 GFADRO Cc1sc(Br)cc1S(=O)(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000227316693 553062535 /nfs/dbraw/zinc/06/25/35/553062535.db2.gz WOCRBXIXDAWUQP-MNOVXSKESA-N 1 0 379.345 2.724 20 0 GFADRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)c1cc(Cl)ccc1I ZINC000228769699 553063904 /nfs/dbraw/zinc/06/39/04/553063904.db2.gz HBRSAFKFRDJXLM-RKDXNWHRSA-N 1 0 378.641 2.754 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1ccc(Cl)c(Br)c1 ZINC000233491042 553066948 /nfs/dbraw/zinc/06/69/48/553066948.db2.gz KKSFXJAMIDUFDB-JTQLQIEISA-N 1 0 381.723 2.865 20 0 GFADRO [NH3+]CC[C@@H]1CCCN(C(=O)c2ccc(F)cc2I)C1 ZINC000236176940 553068580 /nfs/dbraw/zinc/06/85/80/553068580.db2.gz ASALVDVFBMIHSE-JTQLQIEISA-N 1 0 376.213 2.631 20 0 GFADRO O=C(Nc1cccc(C(=O)NCC[NH2+]C2CC2)c1)c1ccc(Br)o1 ZINC000236673621 553070299 /nfs/dbraw/zinc/07/02/99/553070299.db2.gz XHEREBWPVWNGJA-UHFFFAOYSA-N 1 0 392.253 2.776 20 0 GFADRO O=C(N[C@H]1CCC[NH2+]C1)c1nn(-c2cccc(Br)c2)c2c1CCC2 ZINC000236677333 553070301 /nfs/dbraw/zinc/07/03/01/553070301.db2.gz NHNQYEHMRHNLSA-ZDUSSCGKSA-N 1 0 389.297 2.605 20 0 GFADRO CC(=O)N[C@@H](CC(=O)NCC[C@@H]1CCC[NH2+]C1)c1ccc(Br)cc1 ZINC000236696130 553070310 /nfs/dbraw/zinc/07/03/10/553070310.db2.gz HCBCKERMDPHNEC-YOEHRIQHSA-N 1 0 396.329 2.522 20 0 GFADRO CCC([NH3+])(CC)CNC(=O)CCC[S@](=O)c1ccc(Br)cc1 ZINC000236748611 553071038 /nfs/dbraw/zinc/07/10/38/553071038.db2.gz AIRKSRRWIMCLTG-QFIPXVFZSA-N 1 0 389.359 2.971 20 0 GFADRO CC(=O)N[C@@H](CC(=O)N[C@](C)(C[NH3+])C(C)C)c1ccc(Br)cc1 ZINC000236815939 553071643 /nfs/dbraw/zinc/07/16/43/553071643.db2.gz UFGGXARDPOXYOM-DOTOQJQBSA-N 1 0 384.318 2.506 20 0 GFADRO CC(C)[C@@](C)(C[NH3+])NC(=O)c1cc(S(=O)(=O)NC(C)(C)C)ccc1Cl ZINC000236834257 553072051 /nfs/dbraw/zinc/07/20/51/553072051.db2.gz RMXKITOIOGIPOB-QGZVFWFLSA-N 1 0 389.949 2.520 20 0 GFADRO CCC[NH2+]CCNC(=O)CCc1nc(-c2cc(Br)cs2)no1 ZINC000236915824 553072750 /nfs/dbraw/zinc/07/27/50/553072750.db2.gz DMEDPWDQDCPXIP-UHFFFAOYSA-N 1 0 387.303 2.609 20 0 GFADRO CC[C@H](C)[C@H]([NH3+])C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(CC)CC)c1 ZINC000236920700 553072834 /nfs/dbraw/zinc/07/28/34/553072834.db2.gz OBARKGMVEJZFNM-NHYWBVRUSA-N 1 0 375.922 2.682 20 0 GFADRO CC[C@@H](C)[C@H]([NH3+])C(=O)N[C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000236972771 553073910 /nfs/dbraw/zinc/07/39/10/553073910.db2.gz XJGNIYWBIGIHNZ-CDMKHQONSA-N 1 0 378.826 2.822 20 0 GFADRO C[NH2+]C[C@H]1CCCN(C(=O)c2ccc(S(=O)(=O)c3ccccc3)s2)C1 ZINC000237075457 553074391 /nfs/dbraw/zinc/07/43/91/553074391.db2.gz BUBYIRIVNZCTQQ-CQSZACIVSA-N 1 0 378.519 2.653 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCCN(S(=O)(=O)c2ccc(Br)c(Cl)c2)C1 ZINC000237427682 553077777 /nfs/dbraw/zinc/07/77/77/553077777.db2.gz XQQTZSPTRSJZFS-UWVGGRQHSA-N 1 0 381.723 2.850 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)Cc1csc(NC(=O)c2cccs2)n1 ZINC000237542740 553078586 /nfs/dbraw/zinc/07/85/86/553078586.db2.gz TWWQLEVMJDXXJF-WCQYABFASA-N 1 0 378.523 2.728 20 0 GFADRO C[C@@]1(C(=O)N2CCN(C(=O)c3cc(Cl)cc(Cl)c3)CC2)CCC[NH2+]C1 ZINC000237553945 553078861 /nfs/dbraw/zinc/07/88/61/553078861.db2.gz UXJJPVOZVFFJLR-GOSISDBHSA-N 1 0 384.307 2.668 20 0 GFADRO C[C@@H]1CCCN(C(=O)c2cc(F)c(F)cc2I)[C@@H]1C[NH3+] ZINC000237522265 553078897 /nfs/dbraw/zinc/07/88/97/553078897.db2.gz LURIJGABPOXZAF-AMIZOPFISA-N 1 0 394.203 2.769 20 0 GFADRO C[C@]1(C(=O)NC[C@@H]2CCN(c3ccc(Br)cc3)C2)CCC[NH2+]C1 ZINC000237563317 553079336 /nfs/dbraw/zinc/07/93/36/553079336.db2.gz SNYVXZIFCPNGRH-KSSFIOAISA-N 1 0 380.330 2.781 20 0 GFADRO C[C@]1(C(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)CCCC[NH2+]1 ZINC000237609160 553080097 /nfs/dbraw/zinc/08/00/97/553080097.db2.gz SNHLLLJZTUVGQP-QGZVFWFLSA-N 1 0 385.917 2.595 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CNC(=O)C[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000237602726 553080139 /nfs/dbraw/zinc/08/01/39/553080139.db2.gz VMRGUHKXAFIJSC-ZIAGYGMSSA-N 1 0 396.329 2.838 20 0 GFADRO Cc1nn(-c2ccc(C(=O)N[C@@H]3CCC[NH2+]C3)cc2)c(C)c1Br ZINC000237668684 553080730 /nfs/dbraw/zinc/08/07/30/553080730.db2.gz CFEMXPKKTGIVBQ-CQSZACIVSA-N 1 0 377.286 2.733 20 0 GFADRO O=C(NC[C@H]1CCCC[NH2+]1)[C@@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl ZINC000237713586 553081013 /nfs/dbraw/zinc/08/10/13/553081013.db2.gz DBUKNNCCHVQHGV-CJNGLKHVSA-N 1 0 384.307 2.856 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000237786874 553081604 /nfs/dbraw/zinc/08/16/04/553081604.db2.gz VKXLERGZDBNWAP-QGZVFWFLSA-N 1 0 382.302 2.735 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)[C@]1(C)CCCC[NH2+]1 ZINC000237787489 553081735 /nfs/dbraw/zinc/08/17/35/553081735.db2.gz VKXLERGZDBNWAP-KRWDZBQOSA-N 1 0 382.302 2.735 20 0 GFADRO O=C(C[C@@H]1CSCC[NH2+]1)NC[C@@H](c1c(F)cccc1Cl)N1CCCC1 ZINC000237757873 553081888 /nfs/dbraw/zinc/08/18/88/553081888.db2.gz YSWDBLSXLURPSR-CJNGLKHVSA-N 1 0 385.936 2.827 20 0 GFADRO [NH3+]C1CCC(NC(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000237799323 553082353 /nfs/dbraw/zinc/08/23/53/553082353.db2.gz MGSYWGIGNPMJBH-GPANFISMSA-N 1 0 384.307 2.984 20 0 GFADRO [NH3+]C[C@@H]1CCCCN1C(=O)c1cc(F)c(F)cc1I ZINC000237846712 553082830 /nfs/dbraw/zinc/08/28/30/553082830.db2.gz XFWFYNLFFBWDBT-QMMMGPOBSA-N 1 0 380.176 2.523 20 0 GFADRO O=C(C[NH2+]C[C@H]1CCCO1)Nc1ccnn1Cc1c(Cl)cccc1Cl ZINC000237846380 553082882 /nfs/dbraw/zinc/08/28/82/553082882.db2.gz MCNRPTDDXYNXAY-GFCCVEGCSA-N 1 0 383.279 2.945 20 0 GFADRO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)c1cnn(-c2cccc(Br)c2)c1 ZINC000237930793 553083897 /nfs/dbraw/zinc/08/38/97/553083897.db2.gz XXFNAIHFFMMDSX-BLLLJJGKSA-N 1 0 377.286 2.882 20 0 GFADRO CN(C)C(=O)[C@@H]1CC[C@@H](C[NH2+][C@H]2CCCOc3cc(Br)ccc32)O1 ZINC000246077250 553102470 /nfs/dbraw/zinc/10/24/70/553102470.db2.gz UIPNILQUJKBRNG-BPUTZDHNSA-N 1 0 397.313 2.888 20 0 GFADRO Cc1cccc(S(=O)(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c1Br ZINC000246153397 553103287 /nfs/dbraw/zinc/10/32/87/553103287.db2.gz BIGXBPGNXLLFIO-KBPBESRZSA-N 1 0 387.343 2.862 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H]1C(=O)N[C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000246202067 553104621 /nfs/dbraw/zinc/10/46/21/553104621.db2.gz FBRAJGWHXBMAPF-NTZNESFSSA-N 1 0 376.810 2.576 20 0 GFADRO CCC[N@H+](C)C[C@@H]1CCN(C[C@@H](O)COc2ccc(Br)cc2)C1 ZINC000246234716 553104644 /nfs/dbraw/zinc/10/46/44/553104644.db2.gz QSIYXVSDEJQCRO-DOTOQJQBSA-N 1 0 385.346 2.853 20 0 GFADRO CCN1CCO[C@H](C(=O)N2CCO[C@@H](c3cc(F)c(Cl)cc3Cl)C2)C1 ZINC000246249447 553104998 /nfs/dbraw/zinc/10/49/98/553104998.db2.gz SLEUQPJYYMIJTO-CVEARBPZSA-N 1 0 391.270 2.753 20 0 GFADRO C[C@H](O)CN1CCN(C(=O)c2csc(-c3cccc(Cl)c3)n2)C[C@H]1C ZINC000246722190 553112131 /nfs/dbraw/zinc/11/21/31/553112131.db2.gz LMWMPRNKNXGLEG-OLZOCXBDSA-N 1 0 379.913 2.991 20 0 GFADRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)NCCOc1cccc(Br)c1 ZINC000246739659 553112628 /nfs/dbraw/zinc/11/26/28/553112628.db2.gz YJDFKQWZBFPNIU-CZUORRHYSA-N 1 0 384.318 2.810 20 0 GFADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)NCCOc3ccc(Br)cc3)CC[C@H]21 ZINC000246784557 553113730 /nfs/dbraw/zinc/11/37/30/553113730.db2.gz IODPIQQBNDGLNM-RHSMWYFYSA-N 1 0 396.329 2.954 20 0 GFADRO C[N@@H+]1CCC[C@@H]2CN(S(=O)(=O)c3ccc(F)cc3C(F)(F)F)CC[C@H]21 ZINC000246852566 553114220 /nfs/dbraw/zinc/11/42/20/553114220.db2.gz CQCCYJWAQMREMT-BXUZGUMPSA-N 1 0 380.407 2.949 20 0 GFADRO C[C@H](C(=O)Nc1cc(Cl)ccc1Cl)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246911131 553114750 /nfs/dbraw/zinc/11/47/50/553114750.db2.gz PTADPGXHKOCEHB-KGLIPLIRSA-N 1 0 386.323 2.975 20 0 GFADRO C[C@@H](C(=O)Nc1ccc(I)cc1)[N@H+](C)C[C@H]1CCOC1 ZINC000246908220 553114804 /nfs/dbraw/zinc/11/48/04/553114804.db2.gz FYDPHZDKSQRJRJ-NWDGAFQWSA-N 1 0 388.249 2.587 20 0 GFADRO CC[NH+](CC)C[C@H]1CCN(C[C@@H](O)COc2ccc(Br)cc2)C1 ZINC000247479674 553122478 /nfs/dbraw/zinc/12/24/78/553122478.db2.gz JZGZCPIISCCYOW-NVXWUHKLSA-N 1 0 385.346 2.853 20 0 GFADRO O[C@@H](COc1c(Cl)cccc1Cl)C[N@@H+]1CCC[C@H]1CN1CCOCC1 ZINC000247461244 553122881 /nfs/dbraw/zinc/12/28/81/553122881.db2.gz IJRZQUFPWUAIFO-LSDHHAIUSA-N 1 0 389.323 2.530 20 0 GFADRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)[C@H]1SCCc2sccc21 ZINC000247647598 553124762 /nfs/dbraw/zinc/12/47/62/553124762.db2.gz VUWNAMYYSQFLCS-NUJGCVRESA-N 1 0 380.579 2.963 20 0 GFADRO Cc1ccc(S(=O)(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c(Br)c1 ZINC000247942551 553126759 /nfs/dbraw/zinc/12/67/59/553126759.db2.gz GONIQIALNSMXEP-DZGCQCFKSA-N 1 0 387.343 2.862 20 0 GFADRO C[C@H]([NH2+][C@@H](C)c1cc2ccccc2s1)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000248577648 553131420 /nfs/dbraw/zinc/13/14/20/553131420.db2.gz HTJZIGFZDVNDLD-YDHLFZDLSA-N 1 0 380.535 2.586 20 0 GFADRO CCN(C[C@H](O)COc1cc(C)ccc1Cl)[C@H](C)CS(=O)(=O)CC ZINC000248614037 553131678 /nfs/dbraw/zinc/13/16/78/553131678.db2.gz YJOWZRCBWWQDFY-CABCVRRESA-N 1 0 377.934 2.533 20 0 GFADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000248687895 553133110 /nfs/dbraw/zinc/13/31/10/553133110.db2.gz HUIFDPZCYMSXFK-FHLIZLRMSA-N 1 0 394.357 2.695 20 0 GFADRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)Nc1ccsc1Cl ZINC000249010972 553137924 /nfs/dbraw/zinc/13/79/24/553137924.db2.gz XULJMINRWBGMLC-SWLSCSKDSA-N 1 0 377.897 2.977 20 0 GFADRO Brc1ccc(CN2CC[N@@H+]3CCCC[C@H]3C2)c(N2CCOCC2)c1 ZINC000249110534 553139810 /nfs/dbraw/zinc/13/98/10/553139810.db2.gz RCLAJTQFYYMKKW-SFHVURJKSA-N 1 0 394.357 2.956 20 0 GFADRO CC[N@H+](C[C@@H](O)COc1cccc(C(F)(F)F)c1)C[C@@H](O)C(F)(F)F ZINC000249455484 553143252 /nfs/dbraw/zinc/14/32/52/553143252.db2.gz NLMPLBPJKNFGMG-DGCLKSJQSA-N 1 0 375.309 2.690 20 0 GFADRO C[C@@H]1C[N@H+](C[C@@H](O)COc2ccc(Cl)cc2Br)CC[C@@H]1O ZINC000249570482 553144504 /nfs/dbraw/zinc/14/45/04/553144504.db2.gz OCVWPEBBJMOPBM-QKCSRTOESA-N 1 0 378.694 2.545 20 0 GFADRO C[C@@]1(C[NH3+])CCN(C(=O)c2cc(Cl)ccc2I)C1 ZINC000261554692 553153395 /nfs/dbraw/zinc/15/33/95/553153395.db2.gz BBXHGZWSFHOSOJ-ZDUSSCGKSA-N 1 0 378.641 2.756 20 0 GFADRO C[C@@H](NC(=O)c1cccs1)C(=O)N1CC[NH2+]C[C@H]1c1cccc(Cl)c1 ZINC000261602513 553154081 /nfs/dbraw/zinc/15/40/81/553154081.db2.gz ACIQQJXMAHVRAD-DOMZBBRYSA-N 1 0 377.897 2.693 20 0 GFADRO O=C(Nc1ccc(N2CC[NH2+]CC2)cn1)c1c(F)cccc1Br ZINC000261636161 553154363 /nfs/dbraw/zinc/15/43/63/553154363.db2.gz DLKVATLSMCBRSR-UHFFFAOYSA-N 1 0 379.233 2.645 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC000261710817 553157134 /nfs/dbraw/zinc/15/71/34/553157134.db2.gz KYSORVGNRVSJOX-UHFFFAOYSA-N 1 0 378.274 2.780 20 0 GFADRO [NH3+]C1(c2noc([C@H]3CC(=O)N(c4ccccc4Br)C3)n2)CCC1 ZINC000261716475 553157240 /nfs/dbraw/zinc/15/72/40/553157240.db2.gz JFUIRQOTZHHZSH-JTQLQIEISA-N 1 0 377.242 2.691 20 0 GFADRO C[C@@H]1CCN(C(=O)c2cc(=O)[nH]c3ccc(Br)cc32)[C@H](C[NH3+])C1 ZINC000261723692 553157328 /nfs/dbraw/zinc/15/73/28/553157328.db2.gz HBNQUTOERJKSCE-PWSUYJOCSA-N 1 0 378.270 2.902 20 0 GFADRO C[C@H](O)c1ccc(CNC(=O)[C@](C)([NH3+])c2ccc(Br)cc2)cc1 ZINC000261722684 553157455 /nfs/dbraw/zinc/15/74/55/553157455.db2.gz KGMSXGGUYMXHKB-KPZWWZAWSA-N 1 0 377.282 2.993 20 0 GFADRO CN(Cc1ccccc1Br)C(=O)CN1CCC([NH2+]CC2CC2)CC1 ZINC000261753507 553158007 /nfs/dbraw/zinc/15/80/07/553158007.db2.gz UZKMEWICQYBTBG-UHFFFAOYSA-N 1 0 394.357 2.872 20 0 GFADRO O=C(CC[C@@H]1CC[NH2+]C1)NC[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000261771177 553158352 /nfs/dbraw/zinc/15/83/52/553158352.db2.gz ISYKLKLGHWJURO-CABCVRRESA-N 1 0 380.330 2.781 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCCCN1S(=O)(=O)c1cc(Cl)ccc1Br ZINC000261796124 553159695 /nfs/dbraw/zinc/15/96/95/553159695.db2.gz LIRHUFJMFYKTRH-CABZTGNLSA-N 1 0 381.723 2.993 20 0 GFADRO C[C@H](COCC(F)(F)F)NC(=O)[C@](C)([NH3+])c1ccc(Br)cc1 ZINC000261808212 553159887 /nfs/dbraw/zinc/15/98/87/553159887.db2.gz RQWBZUNGCDJCCP-NOZJJQNGSA-N 1 0 383.208 2.707 20 0 GFADRO Cn1ccnc1[C@H]1C[NH2+]CCN1CCC(=O)Nc1cc(Cl)ccc1Cl ZINC000261798160 553160073 /nfs/dbraw/zinc/16/00/73/553160073.db2.gz RDHKMAQKIOHHQE-OAHLLOKOSA-N 1 0 382.295 2.702 20 0 GFADRO Brc1cc(CN2CC[NH2+]C[C@@H]2c2cccnc2)cc2c1OCO2 ZINC000261831951 553160436 /nfs/dbraw/zinc/16/04/36/553160436.db2.gz SYEYJVUVNMISFM-OAHLLOKOSA-N 1 0 376.254 2.719 20 0 GFADRO COc1ccc(Br)cc1CC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000261878993 553161854 /nfs/dbraw/zinc/16/18/54/553161854.db2.gz YGLARFMHUHJQNS-DLBZAZTESA-N 1 0 389.293 2.954 20 0 GFADRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)c1cc(I)ccc1Cl ZINC000261921538 553162669 /nfs/dbraw/zinc/16/26/69/553162669.db2.gz IOKFCYMHDMEORC-DTWKUNHWSA-N 1 0 378.641 2.754 20 0 GFADRO C[C@H](NC(=O)C1(n2cccn2)CC[NH2+]CC1)c1ccccc1Br ZINC000261970198 553163253 /nfs/dbraw/zinc/16/32/53/553163253.db2.gz QKHPUXJHHRIZNJ-ZDUSSCGKSA-N 1 0 377.286 2.602 20 0 GFADRO CCOC(=O)c1cc2cc(S(=O)(=O)N[C@H]3CCC[C@@H]([NH3+])C3)ccc2s1 ZINC000261969206 553163376 /nfs/dbraw/zinc/16/33/76/553163376.db2.gz BEPNOTFZPQIPNG-OLZOCXBDSA-N 1 0 382.507 2.626 20 0 GFADRO CCSCc1ccc(C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)cc1 ZINC000261986023 553164306 /nfs/dbraw/zinc/16/43/06/553164306.db2.gz MLQFNTIAWNNXCH-OAHLLOKOSA-N 1 0 375.460 2.506 20 0 GFADRO CC(C)c1nc2ccc(NC(=O)C3(S(C)(=O)=O)CC[NH2+]CC3)cc2s1 ZINC000262042715 553164890 /nfs/dbraw/zinc/16/48/90/553164890.db2.gz GKLHZNOZCDCGGG-UHFFFAOYSA-N 1 0 381.523 2.525 20 0 GFADRO C[NH2+]CCC1CCN(C(=O)c2cc(F)ccc2I)CC1 ZINC000262082446 553165380 /nfs/dbraw/zinc/16/53/80/553165380.db2.gz QPJIYGRMSSRZCC-UHFFFAOYSA-N 1 0 390.240 2.892 20 0 GFADRO O=S(=O)(c1ccc(Br)c(Cl)c1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262141630 553166499 /nfs/dbraw/zinc/16/64/99/553166499.db2.gz PDUQXDBTNHFMIR-ZJUUUORDSA-N 1 0 379.707 2.618 20 0 GFADRO CS(=O)(=O)C1(C(=O)Nc2nc(-c3ccccc3Cl)cs2)CC[NH2+]CC1 ZINC000262213650 553167563 /nfs/dbraw/zinc/16/75/63/553167563.db2.gz OKJLGOSTJXUJBT-UHFFFAOYSA-N 1 0 399.925 2.569 20 0 GFADRO CCC[C@](C)([NH3+])C(=O)Nc1nc(-c2ccc(NS(C)(=O)=O)cc2)cs1 ZINC000262335005 553169337 /nfs/dbraw/zinc/16/93/37/553169337.db2.gz WSGWANWGNMJWJV-INIZCTEOSA-N 1 0 382.511 2.638 20 0 GFADRO COC(=O)CCCCCCNC(=O)[C@@](C)([NH3+])c1ccc(Br)cc1 ZINC000294222659 563834390 /nfs/dbraw/zinc/83/43/90/563834390.db2.gz XEHFMHDOHWMKSM-KRWDZBQOSA-N 1 0 385.302 2.863 20 0 GFADRO C[C@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2csc(CC[NH3+])n2)CC1 ZINC000262356376 553169752 /nfs/dbraw/zinc/16/97/52/553169752.db2.gz JMLUAUPJQRJTNU-CYBMUJFWSA-N 1 0 378.929 2.817 20 0 GFADRO [NH3+]CC[C@@H]1CCCN(S(=O)(=O)c2cccc(Br)c2Cl)C1 ZINC000262357328 553170045 /nfs/dbraw/zinc/17/00/45/553170045.db2.gz VDTAUVJKFFPEIL-JTQLQIEISA-N 1 0 381.723 2.852 20 0 GFADRO Cc1ccc(Br)c(S(=O)(=O)NC[C@H]2[NH2+]CCc3ccccc32)c1 ZINC000262395295 553170393 /nfs/dbraw/zinc/17/03/93/553170393.db2.gz ZDLIHOFXTBZBCC-MRXNPFEDSA-N 1 0 395.322 2.923 20 0 GFADRO O=C(c1cccnc1Oc1cccc(Br)c1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000262469285 553171312 /nfs/dbraw/zinc/17/13/12/553171312.db2.gz OLGXXHXIXXGTKZ-BETUJISGSA-N 1 0 388.265 2.928 20 0 GFADRO O=C(CSc1cccs1)Nc1ccc(C(=O)NC2CC[NH2+]CC2)cc1 ZINC000262500725 553171781 /nfs/dbraw/zinc/17/17/81/553171781.db2.gz GZFWPBBXALHKDO-UHFFFAOYSA-N 1 0 375.519 2.961 20 0 GFADRO O=C(NCc1ccc(Br)cc1Oc1ccccc1)[C@H]1C[C@H](O)C[NH2+]1 ZINC000262519442 553171810 /nfs/dbraw/zinc/17/18/10/553171810.db2.gz NOZRDOONEDYHCD-GOEBONIOSA-N 1 0 391.265 2.580 20 0 GFADRO O=C([C@H]1CCN(c2cc(Cl)ccc2Cl)C1=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262622957 553173417 /nfs/dbraw/zinc/17/34/17/553173417.db2.gz JLPWGIJOJKGXHV-HZSPNIEDSA-N 1 0 382.291 2.699 20 0 GFADRO [NH3+]C[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1cccc(Cl)c1Br ZINC000262753992 553174987 /nfs/dbraw/zinc/17/49/87/553174987.db2.gz HFCKDSLESOMURG-ONGXEEELSA-N 1 0 381.723 2.898 20 0 GFADRO CO[C@H](C[NH3+])CC(=O)N1CCC(COc2cc(Cl)cc(Cl)c2)CC1 ZINC000262809252 553176120 /nfs/dbraw/zinc/17/61/20/553176120.db2.gz TXOFFKZGPBGSDL-INIZCTEOSA-N 1 0 375.296 2.975 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)N1CC[NH2+][C@H](C)[C@@H]1C ZINC000262835692 553176571 /nfs/dbraw/zinc/17/65/71/553176571.db2.gz WFRJPJAPBBYZQP-QLFBSQMISA-N 1 0 384.567 2.560 20 0 GFADRO CN(CCc1ccc(Br)cc1)C(=O)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000262868388 553177465 /nfs/dbraw/zinc/17/74/65/553177465.db2.gz XISXWIYQXACYFP-MRXNPFEDSA-N 1 0 391.313 2.885 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)[C@H]2CCCN2C(=O)c2ccc(Cl)c(Cl)c2)CC[NH2+]1 ZINC000262956564 553179436 /nfs/dbraw/zinc/17/94/36/553179436.db2.gz WCAJXJNGDWZMTD-PVXIVEMSSA-N 1 0 384.307 2.855 20 0 GFADRO COc1cc(CNC(=O)[C@H]2CCCC[C@]2(C)[NH3+])cc(Br)c1OC ZINC000263316126 553185959 /nfs/dbraw/zinc/18/59/59/553185959.db2.gz ZLNQKPDKFKFSCP-PXAZEXFGSA-N 1 0 385.302 2.990 20 0 GFADRO C[C@H](CNC(=O)CCCOc1cccc(Cl)c1Cl)N1CC[NH+](C)CC1 ZINC000263820621 553193969 /nfs/dbraw/zinc/19/39/69/553193969.db2.gz ZWTZUPGIHCEFKE-CQSZACIVSA-N 1 0 388.339 2.905 20 0 GFADRO C[N@@H+]1CCC[C@@H](CCNS(=O)(=O)c2cc(Br)c(F)cc2F)C1 ZINC000416564142 563849249 /nfs/dbraw/zinc/84/92/49/563849249.db2.gz QQODAHYSAGCQHQ-JTQLQIEISA-N 1 0 397.285 2.738 20 0 GFADRO O[C@H](COCC(F)(F)F)CN1CCOc2c(Br)cccc2C1 ZINC000367923985 563859430 /nfs/dbraw/zinc/85/94/30/563859430.db2.gz HOZAGBJTLBYOMC-NSHDSACASA-N 1 0 384.192 2.583 20 0 GFADRO C[NH+](C)C[C@@H]1CCN(Cc2c(F)ccc(I)c2F)C1 ZINC000474262242 564272052 /nfs/dbraw/zinc/27/20/52/564272052.db2.gz AVXHUJGUGBXILW-JTQLQIEISA-N 1 0 380.220 2.953 20 0 GFADRO C[C@H](C(=O)N1C[C@H](C[NH3+])C2(C1)CCOCC2)c1ccc(Br)s1 ZINC000567846726 564392029 /nfs/dbraw/zinc/39/20/29/564392029.db2.gz OAHYNGCCSLPBLN-RYUDHWBXSA-N 1 0 387.343 2.828 20 0 GFADRO CC[NH+](CC)CCCCNC(=O)c1ccc(I)c(O)c1 ZINC000544881820 564403562 /nfs/dbraw/zinc/40/35/62/564403562.db2.gz QOQRWMUYFARYBW-UHFFFAOYSA-N 1 0 390.265 2.849 20 0 GFADRO CC(C)[C@@H]1CN(C(=O)c2ccc(I)cc2F)CC[NH2+]1 ZINC000598574554 565627368 /nfs/dbraw/zinc/62/73/68/565627368.db2.gz RQAQKZPQPWAZMO-ZDUSSCGKSA-N 1 0 376.213 2.500 20 0 GFADRO [NH3+][C@H](CNC(=O)N1CCC[C@@H]1c1ccc(I)cc1)C1CC1 ZINC000418499377 563218925 /nfs/dbraw/zinc/21/89/25/563218925.db2.gz NXGXWBNCABNFMA-HUUCEWRRSA-N 1 0 399.276 2.875 20 0 GFADRO CCS(=O)(=O)NCCC[N@@H+]1CCC[C@H]1Cc1ccccc1Br ZINC000420971784 563292330 /nfs/dbraw/zinc/29/23/30/563292330.db2.gz KVBHHZNBAMUIAH-HNNXBMFYSA-N 1 0 389.359 2.785 20 0 GFADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)c1cc(F)c(Br)cc1Cl ZINC000280461871 563338624 /nfs/dbraw/zinc/33/86/24/563338624.db2.gz HJJMVIURLRJQKZ-SNVBAGLBSA-N 1 0 392.700 2.607 20 0 GFADRO COCC1(CNC(=O)c2ccc(Cl)c(Br)c2)CC[NH2+]CC1 ZINC000314161513 563438514 /nfs/dbraw/zinc/43/85/14/563438514.db2.gz OYSVTRYXXKQWIH-UHFFFAOYSA-N 1 0 375.694 2.849 20 0 GFADRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)NCCc2c[nH]c3cccc(Br)c23)C1 ZINC000418197136 563213136 /nfs/dbraw/zinc/21/31/36/563213136.db2.gz IXEWNRSQEMIXGW-DGCLKSJQSA-N 1 0 379.302 2.900 20 0 GFADRO COCCOC1(C[NH2+]Cc2cc(F)ccc2Br)CCOCC1 ZINC000294705188 563213727 /nfs/dbraw/zinc/21/37/27/563213727.db2.gz DIRYAOKPMIYEIZ-UHFFFAOYSA-N 1 0 376.266 2.890 20 0 GFADRO COC[C@@]1(CNC(=O)NC/C=C\c2ccc(Br)cc2)CCC[NH2+]1 ZINC000418238152 563213807 /nfs/dbraw/zinc/21/38/07/563213807.db2.gz AFAJQMQFUZCUHN-MMTGSJLXSA-N 1 0 382.302 2.530 20 0 GFADRO O=C(NCCc1ccc(Br)cc1Cl)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000418237709 563214090 /nfs/dbraw/zinc/21/40/90/563214090.db2.gz WFCONWYIKDBADL-CHWSQXEVSA-N 1 0 386.721 2.896 20 0 GFADRO O=C(NCCC[C@H]1CCC[NH2+]1)NCc1nc2c(cccc2Br)[nH]1 ZINC000418270351 563214740 /nfs/dbraw/zinc/21/47/40/563214740.db2.gz ROLNYRRSGFBQMW-LLVKDONJSA-N 1 0 380.290 2.657 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)NCc1nc2c(cccc2Br)[nH]1 ZINC000418271537 563215077 /nfs/dbraw/zinc/21/50/77/563215077.db2.gz TZZWVEIPPRNKTK-MFKMUULPSA-N 1 0 380.290 2.737 20 0 GFADRO O=C(NC1CC[NH2+]CC1)N1CCC[C@H]1c1ccccc1I ZINC000418314495 563215408 /nfs/dbraw/zinc/21/54/08/563215408.db2.gz XJENXWWZDGUYSR-HNNXBMFYSA-N 1 0 399.276 2.890 20 0 GFADRO Cc1cc([C@H]2CCCN2C(=O)NCCN2CC[NH2+]CC2)ccc1Br ZINC000418301200 563215755 /nfs/dbraw/zinc/21/57/55/563215755.db2.gz RDVHUCBUQQGYJO-QGZVFWFLSA-N 1 0 395.345 2.509 20 0 GFADRO CC(=O)c1ccc(S(=O)(=O)NC[C@H]2CC[N@@H+](C)[C@H]2c2cccs2)cc1 ZINC000369538063 563216567 /nfs/dbraw/zinc/21/65/67/563216567.db2.gz ADHXLRBHYWLDRJ-CRAIPNDOSA-N 1 0 378.519 2.922 20 0 GFADRO COCCN(Cc1sccc1Br)C(=O)NC1CCC([NH3+])CC1 ZINC000418379569 563216566 /nfs/dbraw/zinc/21/65/66/563216566.db2.gz DJCUIJPFVABYNZ-UHFFFAOYSA-N 1 0 390.347 2.939 20 0 GFADRO C[NH2+]C[C@@H](C)CNC(=O)N1CCO[C@@H](c2ccc(F)c(Br)c2)C1 ZINC000418368750 563216595 /nfs/dbraw/zinc/21/65/95/563216595.db2.gz SQHSTCFIJDSNQP-IAQYHMDHSA-N 1 0 388.281 2.527 20 0 GFADRO [NH3+]C[C@H]1CCCC[C@H]1NC(=O)N(CCO)Cc1ccc(Br)s1 ZINC000418405810 563217232 /nfs/dbraw/zinc/21/72/32/563217232.db2.gz DRBPTXGUSDBREF-DGCLKSJQSA-N 1 0 390.347 2.532 20 0 GFADRO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)N[C@@H](CCO)c1ccccc1Br ZINC000418405111 563217362 /nfs/dbraw/zinc/21/73/62/563217362.db2.gz DBIUCWPUZRJCQG-MAZHCROVSA-N 1 0 384.318 2.689 20 0 GFADRO C[NH2+]C[C@H](C)CNC(=O)N1CCC[C@@H]1C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000418398225 563217390 /nfs/dbraw/zinc/21/73/90/563217390.db2.gz VZKZDKAEVBKMIH-XHDPSFHLSA-N 1 0 387.311 2.961 20 0 GFADRO O=C(c1ccn([C@@H]2CCC[NH2+]C2)n1)N1CCO[C@@H](c2ccc(Cl)s2)C1 ZINC000369580219 563218260 /nfs/dbraw/zinc/21/82/60/563218260.db2.gz YBVYUIIJZSLAOY-TZMCWYRMSA-N 1 0 380.901 2.736 20 0 GFADRO C[C@](O)(CNC(=O)NC1CC[NH+](Cc2cccs2)CC1)c1cccs1 ZINC000369603026 563218606 /nfs/dbraw/zinc/21/86/06/563218606.db2.gz UVKXGTYZBQRCFW-SFHVURJKSA-N 1 0 379.551 2.981 20 0 GFADRO C[C@H](C[NH3+])CNC(=O)N1CCC[C@@H]1c1ccccc1I ZINC000418498406 563218864 /nfs/dbraw/zinc/21/88/64/563218864.db2.gz XELNAVWMJCRUOZ-BXUZGUMPSA-N 1 0 387.265 2.733 20 0 GFADRO C[C@@H](C[NH3+])CNC(=O)N1CCC[C@H]1c1ccccc1I ZINC000418498407 563218873 /nfs/dbraw/zinc/21/88/73/563218873.db2.gz XELNAVWMJCRUOZ-FZMZJTMJSA-N 1 0 387.265 2.733 20 0 GFADRO C[C@@H](C[NH3+])CNC(=O)N1CCC(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000418484001 563218916 /nfs/dbraw/zinc/21/89/16/563218916.db2.gz GCFNDBTUDJMSLH-NSHDSACASA-N 1 0 387.311 2.948 20 0 GFADRO [NH3+]CCCCNC(=O)N1CCC[C@H]1c1ccc(I)cc1 ZINC000418515057 563219426 /nfs/dbraw/zinc/21/94/26/563219426.db2.gz VBGYNLNVXFQORU-AWEZNQCLSA-N 1 0 387.265 2.877 20 0 GFADRO C[C@H](CC[NH3+])NC(=O)N1CCN([C@@H](C)c2ccc(Br)cc2)CC1 ZINC000418522101 563219555 /nfs/dbraw/zinc/21/95/55/563219555.db2.gz JACCVLJQPVJJEB-KGLIPLIRSA-N 1 0 383.334 2.575 20 0 GFADRO CC(C)(COc1ncccc1Br)NC(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000418561804 563220213 /nfs/dbraw/zinc/22/02/13/563220213.db2.gz ZLJGURDMTPYEND-KRWDZBQOSA-N 1 0 399.333 2.690 20 0 GFADRO CCc1ccccc1[C@@H]([NH3+])CNC(=O)N(C)CCn1cc(Br)cn1 ZINC000418642010 563221355 /nfs/dbraw/zinc/22/13/55/563221355.db2.gz AFJBUUIKUSRVLA-INIZCTEOSA-N 1 0 394.317 2.549 20 0 GFADRO [NH3+]C[C@H](NC(=O)N(CCO)Cc1ccc(Br)s1)C1CCCC1 ZINC000418610458 563221560 /nfs/dbraw/zinc/22/15/60/563221560.db2.gz CXYNLRNBLKQNBA-ZDUSSCGKSA-N 1 0 390.347 2.532 20 0 GFADRO [NH3+]C[C@H]1CC[C@H](CNC(=O)N[C@H](CO)c2cccc(Br)c2)CC1 ZINC000418661989 563222232 /nfs/dbraw/zinc/22/22/32/563222232.db2.gz BWSDROFHZULACQ-XJKCOSOUSA-N 1 0 384.318 2.547 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H](CNC(=O)N(CCO)Cc2cc(Br)cs2)C1 ZINC000418725797 563223467 /nfs/dbraw/zinc/22/34/67/563223467.db2.gz PDQZCPKCICYYNN-DGCLKSJQSA-N 1 0 390.347 2.532 20 0 GFADRO C[C@H]([NH3+])[C@H](C)NC(=O)N1CCC[C@@H]1c1ccc(I)cc1 ZINC000418729304 563223493 /nfs/dbraw/zinc/22/34/93/563223493.db2.gz QYBNZBAWMUPMGI-COPLHBTASA-N 1 0 387.265 2.873 20 0 GFADRO CN(C(=O)N[C@@H]1C[NH2+]CCC1(F)F)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000418755044 563224488 /nfs/dbraw/zinc/22/44/88/563224488.db2.gz IJHHDMODXSZXSI-MGPQQGTHSA-N 1 0 394.249 2.590 20 0 GFADRO CN1CC[NH2+]C[C@H]1CNC(=O)N1CC=C(c2ccc(Cl)c(Cl)c2)CC1 ZINC000418770969 563224976 /nfs/dbraw/zinc/22/49/76/563224976.db2.gz VMIVTFHTKFAGLB-HNNXBMFYSA-N 1 0 383.323 2.696 20 0 GFADRO O=C(N[C@H]1C[NH2+]CCC1(F)F)N1CCc2cc(Br)cc(F)c2C1 ZINC000418772178 563225294 /nfs/dbraw/zinc/22/52/94/563225294.db2.gz UNNZRBCDWZXFEE-ZDUSSCGKSA-N 1 0 392.219 2.653 20 0 GFADRO COCCN(Cc1cc(Br)cs1)C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000418792019 563226036 /nfs/dbraw/zinc/22/60/36/563226036.db2.gz OGQXFLYLGARCKS-DGCLKSJQSA-N 1 0 390.347 2.796 20 0 GFADRO CCCN(C(=O)C(=O)N[C@H](C)c1cc(F)c(Cl)cc1Cl)[C@H]1CC[NH2+]C1 ZINC000418840959 563227298 /nfs/dbraw/zinc/22/72/98/563227298.db2.gz FTMRHODRKUEHKM-MNOVXSKESA-N 1 0 390.286 2.910 20 0 GFADRO O=C(NCCCC[NH+]1CCOCC1)N1CCO[C@@H](c2ccc(Cl)s2)C1 ZINC000369876452 563227306 /nfs/dbraw/zinc/22/73/06/563227306.db2.gz ZZTZAUBGBWOWPE-CQSZACIVSA-N 1 0 387.933 2.597 20 0 GFADRO C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000369913222 563227903 /nfs/dbraw/zinc/22/79/03/563227903.db2.gz QKPBVWWTPWXIQK-UHXUCMFUSA-N 1 0 384.307 2.698 20 0 GFADRO O=c1cccc2n1C[C@H]1C[C@@H]2C[N@H+](C[C@@H](O)c2cccc(Br)c2)C1 ZINC000295068274 563228268 /nfs/dbraw/zinc/22/82/68/563228268.db2.gz AEAAOSLCVMNDLE-JCKWVBRZSA-N 1 0 389.293 2.764 20 0 GFADRO O=C(N[C@@H]1CCC[NH2+]CC1)[C@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 ZINC000369947071 563228650 /nfs/dbraw/zinc/22/86/50/563228650.db2.gz VOHPTVMCXDEHSA-HZPDHXFCSA-N 1 0 384.307 2.856 20 0 GFADRO O=C(NCCC[NH+]1CCC(O)CC1)c1cc(Cl)c(Br)cc1F ZINC000295110459 563229363 /nfs/dbraw/zinc/22/93/63/563229363.db2.gz YFZXFJRVSABXIX-UHFFFAOYSA-N 1 0 393.684 2.818 20 0 GFADRO CSC[C@@H](O)C[NH+]1CCC(O)(Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000369971804 563230344 /nfs/dbraw/zinc/23/03/44/563230344.db2.gz BFSOOEQOJRMWNK-AWEZNQCLSA-N 1 0 379.444 2.679 20 0 GFADRO O=C(Cc1cc[nH]c(=O)c1Br)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000277879351 563230734 /nfs/dbraw/zinc/23/07/34/563230734.db2.gz CMDDAUDJXFZPTB-CQSZACIVSA-N 1 0 382.302 2.569 20 0 GFADRO C[C@H](NC(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1cc(Cl)ccc1Cl ZINC000418951140 563231545 /nfs/dbraw/zinc/23/15/45/563231545.db2.gz HXRDQJJNKQPQEI-FMCLSXCISA-N 1 0 384.307 2.675 20 0 GFADRO Cc1nccc(C[NH+]2CCC(C(=O)Nc3ccc(Br)cn3)CC2)n1 ZINC000370031338 563231719 /nfs/dbraw/zinc/23/17/19/563231719.db2.gz MVEQNEHVUKMBMO-UHFFFAOYSA-N 1 0 390.285 2.793 20 0 GFADRO C[C@H](NC(=O)C(=O)N1CCC2(C1)CC[NH2+]CC2)c1cc(Cl)ccc1Cl ZINC000418953596 563231956 /nfs/dbraw/zinc/23/19/56/563231956.db2.gz LPVWGNYPKWSQRZ-LBPRGKRZSA-N 1 0 384.307 2.773 20 0 GFADRO CC[C@H](NC(=O)C(=O)N1CCC2(CC[NH2+]CC2)CC1)c1ccc(Cl)s1 ZINC000419043189 563232283 /nfs/dbraw/zinc/23/22/83/563232283.db2.gz QMTIWAWSDMKZQF-ZDUSSCGKSA-N 1 0 383.945 2.961 20 0 GFADRO CCCC[C@H](C[NH3+])NC(=O)C(=O)N[C@@H](CC)Cc1ccccc1Br ZINC000419050529 563233150 /nfs/dbraw/zinc/23/31/50/563233150.db2.gz DHLSQCPAPQEXOV-LSDHHAIUSA-N 1 0 398.345 2.520 20 0 GFADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+]CCc1nccs1 ZINC000295175502 563233232 /nfs/dbraw/zinc/23/32/32/563233232.db2.gz MAKCBJQQCOLWJH-LLVKDONJSA-N 1 0 398.326 2.751 20 0 GFADRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N[C@@H]1CCc2c1ccc(Cl)c2Cl ZINC000419101921 563233984 /nfs/dbraw/zinc/23/39/84/563233984.db2.gz QUDPFFNBJYKNIV-LSDHHAIUSA-N 1 0 386.323 2.929 20 0 GFADRO Cc1ncsc1CCS(=O)(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000295184071 563233989 /nfs/dbraw/zinc/23/39/89/563233989.db2.gz JNKZWPWZXBEOJW-KRWDZBQOSA-N 1 0 379.551 2.578 20 0 GFADRO O=C(Cc1cc[nH]c(=O)c1Br)NC1CC[NH+](C2CCCC2)CC1 ZINC000277966823 563234300 /nfs/dbraw/zinc/23/43/00/563234300.db2.gz LCXMFZYLXIKNEC-UHFFFAOYSA-N 1 0 382.302 2.615 20 0 GFADRO [NH3+]C[C@H]1CCCN1C(=O)C(=O)N[C@@H](c1ccsc1)c1ccc(Cl)cc1 ZINC000419127916 563234549 /nfs/dbraw/zinc/23/45/49/563234549.db2.gz TWRUOFFZDFNVMO-HZPDHXFCSA-N 1 0 377.897 2.557 20 0 GFADRO CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H]1CCSc2ccc(Cl)cc21 ZINC000419215198 563235515 /nfs/dbraw/zinc/23/55/15/563235515.db2.gz LSVMKQDPXMPMEC-DZGCQCFKSA-N 1 0 381.929 2.594 20 0 GFADRO CCCN(C(=O)C(=O)N[C@@H](C)Cc1ccc(Cl)cc1Cl)[C@H]1CC[NH2+]C1 ZINC000419288842 563236262 /nfs/dbraw/zinc/23/62/62/563236262.db2.gz TZOGGRLIMBOOKO-WFASDCNBSA-N 1 0 386.323 2.641 20 0 GFADRO COc1cccc2c1C[C@@H]([NH2+][C@H](C(N)=O)c1cccc(Br)c1)C2 ZINC000419327997 563236695 /nfs/dbraw/zinc/23/66/95/563236695.db2.gz MYIJBCLRGWLAEV-YOEHRIQHSA-N 1 0 375.266 2.741 20 0 GFADRO COc1cccc2c1C[C@@H]([NH2+][C@@H](C(N)=O)c1ccc(Br)cc1)C2 ZINC000419334211 563236935 /nfs/dbraw/zinc/23/69/35/563236935.db2.gz SPUBQMVLHASNBW-WMLDXEAASA-N 1 0 375.266 2.741 20 0 GFADRO CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]CCCN1CCCO[C@@H](C)C1 ZINC000278041648 563237517 /nfs/dbraw/zinc/23/75/17/563237517.db2.gz XNEIKMYQLYNHAO-HNNXBMFYSA-N 1 0 388.961 2.724 20 0 GFADRO C[NH2+]C1CCN(C(=O)C(=O)NCC(C)(C)c2ccc(Cl)c(Cl)c2)CC1 ZINC000419353033 563238573 /nfs/dbraw/zinc/23/85/73/563238573.db2.gz BORHVKYZWPWKCU-UHFFFAOYSA-N 1 0 386.323 2.598 20 0 GFADRO C[C@H](NC(=O)CN1C[C@H](C)[N@H+](CCO)C[C@@H]1C)c1ccc(Cl)cc1Cl ZINC000419345930 563238690 /nfs/dbraw/zinc/23/86/90/563238690.db2.gz UPUQFZXYIDXSCG-IHRRRGAJSA-N 1 0 388.339 2.558 20 0 GFADRO CC(=O)N(Cc1ccsc1)[C@@H]1CC12CCN(CC1N=NC(=O)S1)CC2 ZINC000370269262 563238683 /nfs/dbraw/zinc/23/86/83/563238683.db2.gz BSFDQZFZQSZEHE-CQSZACIVSA-N 1 0 378.523 2.708 20 0 GFADRO O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)c1ccoc1Br ZINC000278075431 563239010 /nfs/dbraw/zinc/23/90/10/563239010.db2.gz OMGQMRZKKLHMCT-ZBFHGGJFSA-N 1 0 393.281 2.655 20 0 GFADRO CC(C)n1cc([C@@]2(O)CCCN(Cc3cnc(Br)s3)C2)nn1 ZINC000295258571 563239183 /nfs/dbraw/zinc/23/91/83/563239183.db2.gz GTDUSTXRNZYRJD-CQSZACIVSA-N 1 0 386.319 2.562 20 0 GFADRO C[C@H]1C[C@@H](NC(=O)C(=O)NCC(C)(C)c2ccc(Cl)c(Cl)c2)CC[NH2+]1 ZINC000419365407 563239463 /nfs/dbraw/zinc/23/94/63/563239463.db2.gz UCCDEFZUSQEMKR-AAEUAGOBSA-N 1 0 386.323 2.644 20 0 GFADRO O=C([C@H](O)c1ccc(Cl)c(Cl)c1)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000295308266 563241287 /nfs/dbraw/zinc/24/12/87/563241287.db2.gz OQQKPMGEBXCNLG-SUMWQHHRSA-N 1 0 387.307 2.598 20 0 GFADRO COC(=O)c1ccc(C[N@H+](C)C[C@@H](O)c2ccccc2Br)nc1 ZINC000295345073 563243063 /nfs/dbraw/zinc/24/30/63/563243063.db2.gz NSVQJQPEGKVBJP-MRXNPFEDSA-N 1 0 379.254 2.796 20 0 GFADRO Cc1noc(C)c1-c1nc(C)c(C(=O)NC[C@]2([NH+](C)C)CCSC2)s1 ZINC000295370930 563244638 /nfs/dbraw/zinc/24/46/38/563244638.db2.gz RRLODGAWAQZQFX-QGZVFWFLSA-N 1 0 380.539 2.890 20 0 GFADRO Cc1c2cc(Cl)ccc2sc1CNC(=O)C(=O)N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000419698856 563246681 /nfs/dbraw/zinc/24/66/81/563246681.db2.gz ANCVBZABSIBNPH-GXFFZTMASA-N 1 0 379.913 2.736 20 0 GFADRO C[C@H](C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1)c1ccc(Br)s1 ZINC000370540505 563247849 /nfs/dbraw/zinc/24/78/49/563247849.db2.gz SRFBQVOSBCTTDF-WCQYABFASA-N 1 0 387.343 2.984 20 0 GFADRO CC(C)(C[NH2+]C1CCN(S(=O)(=O)c2cccs2)CC1)N1CCCCC1 ZINC000370577782 563249607 /nfs/dbraw/zinc/24/96/07/563249607.db2.gz MMFZLQMTQRXGTI-UHFFFAOYSA-N 1 0 385.599 2.755 20 0 GFADRO CC[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000419750545 563249647 /nfs/dbraw/zinc/24/96/47/563249647.db2.gz IXYLOLJLIFBCOX-KBXCAEBGSA-N 1 0 386.323 2.628 20 0 GFADRO Cc1cc(Br)c(CN2CCC3(CC2)NC(=O)NC3=O)cc1Cl ZINC000295496718 563250201 /nfs/dbraw/zinc/25/02/01/563250201.db2.gz TUEWCXBGOUATPV-UHFFFAOYSA-N 1 0 386.677 2.585 20 0 GFADRO CCC[C@@H](O)[C@H](CO)[NH2+]Cc1cn(-c2ccc(Br)cc2)nc1C ZINC000419834647 563251783 /nfs/dbraw/zinc/25/17/83/563251783.db2.gz XLYMFXOYXIPQCA-DLBZAZTESA-N 1 0 382.302 2.555 20 0 GFADRO O=C(NCC[C@H]1CC[NH2+]C1)C(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000419908415 563252428 /nfs/dbraw/zinc/25/24/28/563252428.db2.gz DTVUXPNEHRHQSC-MLGOLLRUSA-N 1 0 384.307 2.773 20 0 GFADRO [NH3+]C1CCN(C(=O)[C@H]2CCCN2c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000370726976 563252942 /nfs/dbraw/zinc/25/29/42/563252942.db2.gz PNOTZHPCWISJOV-CYBMUJFWSA-N 1 0 376.810 2.672 20 0 GFADRO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N(Cc1ccc(Cl)c(Cl)c1)C1CC1 ZINC000419967797 563254635 /nfs/dbraw/zinc/25/46/35/563254635.db2.gz CBCUVVQZMRCDBZ-ZDUSSCGKSA-N 1 0 386.323 2.974 20 0 GFADRO O=C(CCc1ccccc1Br)NC[C@H]1CCC[C@H]1[NH+]1CCOCC1 ZINC000370772322 563254762 /nfs/dbraw/zinc/25/47/62/563254762.db2.gz KALSYKICRNWNBA-SJLPKXTDSA-N 1 0 395.341 2.999 20 0 GFADRO Cc1ccc(S(=O)(=O)N2CC[C@H](C[N@@H+](C)Cc3scnc3C)C2)s1 ZINC000278422666 563254948 /nfs/dbraw/zinc/25/49/48/563254948.db2.gz QVUCJHAMJRBUCE-CQSZACIVSA-N 1 0 385.580 2.964 20 0 GFADRO C[C@@H]1CCCN(C(=O)C2CCN(C(=O)c3ccc(Cl)s3)CC2)[C@H]1C[NH3+] ZINC000370793513 563255795 /nfs/dbraw/zinc/25/57/95/563255795.db2.gz MLUYIBGCWQCULE-OCCSQVGLSA-N 1 0 383.945 2.840 20 0 GFADRO C[C@H](Cc1ccc(F)c(Br)c1)C(=O)NC[C@](C)(O)CC[NH+](C)C ZINC000420010158 563255897 /nfs/dbraw/zinc/25/58/97/563255897.db2.gz GKHBUYZAFGOJPG-SJKOYZFVSA-N 1 0 389.309 2.586 20 0 GFADRO C[NH+](C)CC[C@@](C)(O)CNC(=O)c1ccn(-c2ccc(Cl)cc2Cl)n1 ZINC000420008623 563255917 /nfs/dbraw/zinc/25/59/17/563255917.db2.gz DJACQZBUBYREHV-QGZVFWFLSA-N 1 0 385.295 2.612 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2S(=O)(=O)c1ccc(C(C)(C)C)s1 ZINC000370817662 563256295 /nfs/dbraw/zinc/25/62/95/563256295.db2.gz XFFCGNWXJYHENP-QLFBSQMISA-N 1 0 386.583 2.918 20 0 GFADRO Cc1cc([C@@H]2CCCN2C(=O)C(=O)NC[C@@H]([NH3+])C(C)C)ccc1Br ZINC000420015848 563256867 /nfs/dbraw/zinc/25/68/67/563256867.db2.gz MIYSOVMMOOTQJE-CVEARBPZSA-N 1 0 396.329 2.521 20 0 GFADRO CN(C(=O)c1ccc(Br)cc1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000370831081 563256956 /nfs/dbraw/zinc/25/69/56/563256956.db2.gz RWNMARSHWWRXCW-KRWDZBQOSA-N 1 0 380.330 2.690 20 0 GFADRO CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)NCCC1=CC[NH2+]CC1 ZINC000420223374 563260368 /nfs/dbraw/zinc/26/03/68/563260368.db2.gz VBSPDTOOAIKOFX-UHFFFAOYSA-N 1 0 384.307 2.768 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]C[C@@H]1CCCC[C@H]1O ZINC000295746762 563261019 /nfs/dbraw/zinc/26/10/19/563261019.db2.gz PGFDSFAUXQMQRB-HEHGZKQESA-N 1 0 399.329 2.603 20 0 GFADRO FC(F)(F)c1ccc(I)c(N2CC[C@H]3C[NH2+]C[C@@H]3C2)n1 ZINC000420266376 563261359 /nfs/dbraw/zinc/26/13/59/563261359.db2.gz VZIRYAPTZCXDMI-DTWKUNHWSA-N 1 0 397.182 2.751 20 0 GFADRO CN1C(=O)N[C@]2(CCC[C@H]2C[NH2+][C@H]2CCc3c2cccc3Br)C1=O ZINC000370987741 563262134 /nfs/dbraw/zinc/26/21/34/563262134.db2.gz CXOVIWBFDJIAOK-GYOIFBIXSA-N 1 0 392.297 2.747 20 0 GFADRO COc1ccc(Br)cc1CC(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000278577704 563262429 /nfs/dbraw/zinc/26/24/29/563262429.db2.gz PURBWVHURIKCJL-CQSZACIVSA-N 1 0 399.329 2.617 20 0 GFADRO CC1(C)C[NH2+]CC[C@@H]1NCc1nc(Cc2cccc(Br)c2)no1 ZINC000420357306 563263121 /nfs/dbraw/zinc/26/31/21/563263121.db2.gz HFCFPEZCVXAXHH-AWEZNQCLSA-N 1 0 379.302 2.901 20 0 GFADRO O=S(=O)(c1ccc(F)cc1Br)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420451591 563263488 /nfs/dbraw/zinc/26/34/88/563263488.db2.gz BMGLEJYROYUJMN-RISCZKNCSA-N 1 0 391.306 2.741 20 0 GFADRO Cc1cc(Br)c(S(=O)(=O)N2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)s1 ZINC000420457269 563263614 /nfs/dbraw/zinc/26/36/14/563263614.db2.gz HUASINFOWHUIMW-DGCLKSJQSA-N 1 0 393.372 2.972 20 0 GFADRO Cn1nc(C(F)(F)F)c(C[NH2+][C@H]2CCCN(c3ccnn3C)C2)c1Cl ZINC000278634239 563264044 /nfs/dbraw/zinc/26/40/44/563264044.db2.gz IKYGGBQYJBRBAG-JTQLQIEISA-N 1 0 376.814 2.584 20 0 GFADRO Cc1cc(Br)ccc1S(=O)(=O)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420472498 563265347 /nfs/dbraw/zinc/26/53/47/563265347.db2.gz ZLSUMHWJOVAMJI-UKRRQHHQSA-N 1 0 387.343 2.910 20 0 GFADRO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)CN1CCC2(CCOC2=O)CC1 ZINC000371155555 563266926 /nfs/dbraw/zinc/26/69/26/563266926.db2.gz IDJDRHDUHSUKFF-UHFFFAOYSA-N 1 0 385.291 2.981 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2cc(F)ccc2OC(F)F)[C@H](C)C1 ZINC000420667035 563271327 /nfs/dbraw/zinc/27/13/27/563271327.db2.gz CUFRHVYOIDWMKW-YPMHNXCESA-N 1 0 380.432 2.778 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]C[C@@]1(O)CCC[C@@H]1C ZINC000296029656 563272028 /nfs/dbraw/zinc/27/20/28/563272028.db2.gz NCULQVQMGXYWMQ-LXIYXOSZSA-N 1 0 399.329 2.603 20 0 GFADRO Cc1ccc(Br)c(CNC(=O)C(=O)NCC[NH+](C(C)C)C(C)C)c1 ZINC000420673631 563272442 /nfs/dbraw/zinc/27/24/42/563272442.db2.gz LZWXOJHKYQSXDR-UHFFFAOYSA-N 1 0 398.345 2.609 20 0 GFADRO O=C1C[C@@]2(CC[N@@H+](Cc3ncc(-c4cccc(Br)c4)o3)C2)CN1 ZINC000278837699 563272987 /nfs/dbraw/zinc/27/29/87/563272987.db2.gz IYHAEMOYJMGITO-KRWDZBQOSA-N 1 0 376.254 2.816 20 0 GFADRO C[C@@H](C[NH+]1CCCCCC1)NS(=O)(=O)c1cc(F)ccc1OC(F)F ZINC000420691975 563274815 /nfs/dbraw/zinc/27/48/15/563274815.db2.gz RKWOJWOHXCVEDC-LBPRGKRZSA-N 1 0 380.432 2.970 20 0 GFADRO Cc1c([C@H](C)[NH2+]C[C@]2(O)CCO[C@H]2C)nnn1-c1cccc(Br)c1 ZINC000278915990 563275901 /nfs/dbraw/zinc/27/59/01/563275901.db2.gz WDLVFKJEQASRJY-PLQHRBFRSA-N 1 0 395.301 2.529 20 0 GFADRO CCc1n[nH]c(C(=O)NCc2ccccc2OCC[NH+](C)C)c1Br ZINC000278936098 563276654 /nfs/dbraw/zinc/27/66/54/563276654.db2.gz BQGLSCZCOVABBL-UHFFFAOYSA-N 1 0 395.301 2.605 20 0 GFADRO COc1ccc(Br)cc1CN(C)C(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000278935062 563276797 /nfs/dbraw/zinc/27/67/97/563276797.db2.gz FNTKKJKIMIWLDY-LLVKDONJSA-N 1 0 393.285 2.530 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2Cc1cnc2ccc(Br)cn12 ZINC000371470951 563278463 /nfs/dbraw/zinc/27/84/63/563278463.db2.gz PTKAKHBOEHHRAF-HYVNUMGLSA-N 1 0 393.329 2.780 20 0 GFADRO Cc1ccc(I)c(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000371509200 563279913 /nfs/dbraw/zinc/27/99/13/563279913.db2.gz DDJUPFJPSRJKLE-CHWSQXEVSA-N 1 0 384.261 2.956 20 0 GFADRO Cc1ccc(NC(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)c(Br)c1 ZINC000371558324 563281723 /nfs/dbraw/zinc/28/17/23/563281723.db2.gz SPRGYWQUECJJLD-HOTGVXAUSA-N 1 0 382.302 2.820 20 0 GFADRO Cc1nn(C)c(C[NH2+]C2CCN(C(=O)c3ccccc3)CC2)c1Br ZINC000279067443 563282536 /nfs/dbraw/zinc/28/25/36/563282536.db2.gz FWRJZKMJLJBXCP-UHFFFAOYSA-N 1 0 391.313 2.885 20 0 GFADRO O=C(Nc1cc(Br)ccc1F)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000371660641 563284338 /nfs/dbraw/zinc/28/43/38/563284338.db2.gz RVMVSSXIBZUZPA-HUUCEWRRSA-N 1 0 386.265 2.651 20 0 GFADRO O=S1(=O)CC[C@](O)(C[NH2+][C@H](c2ccc(F)cc2)c2ccc(Cl)cc2)C1 ZINC000296367674 563285143 /nfs/dbraw/zinc/28/51/43/563285143.db2.gz JCIYVQTYBDYVID-ROUUACIJSA-N 1 0 383.872 2.708 20 0 GFADRO O=C(CCc1cc(F)ccc1Br)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000371726911 563285899 /nfs/dbraw/zinc/28/58/99/563285899.db2.gz ITJYSDKEPVCVGR-HUUCEWRRSA-N 1 0 385.277 2.500 20 0 GFADRO Cc1csc(CNC(=O)N[C@H]2CC[N@@H+](Cc3cnc(C)s3)C[C@H]2C)n1 ZINC000371741753 563286837 /nfs/dbraw/zinc/28/68/37/563286837.db2.gz NPMHNAVWTJCAKU-ABAIWWIYSA-N 1 0 379.555 2.926 20 0 GFADRO O=Cc1ccc(OCC(=O)N2CCC[C@H]([NH+]3CCCC3)C2)c(Br)c1 ZINC000371782372 563287546 /nfs/dbraw/zinc/28/75/46/563287546.db2.gz WNHLAEDAAUNKOJ-HNNXBMFYSA-N 1 0 395.297 2.727 20 0 GFADRO CC[C@H]([NH2+]C[C@]1(O)CCS(=O)(=O)C1)c1ccc(Br)cc1Cl ZINC000296448745 563288041 /nfs/dbraw/zinc/28/80/41/563288041.db2.gz MQMHBYRHZBCZFR-UONOGXRCSA-N 1 0 396.734 2.693 20 0 GFADRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)NCc1cc(Br)cc2c1OCC2 ZINC000420842931 563288143 /nfs/dbraw/zinc/28/81/43/563288143.db2.gz WEFLPAVQFMCZNP-HNNXBMFYSA-N 1 0 382.302 2.620 20 0 GFADRO O=C(Cc1cccc(I)c1)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000371932986 563291638 /nfs/dbraw/zinc/29/16/38/563291638.db2.gz FMGUYDLUMILTOJ-HUUCEWRRSA-N 1 0 384.261 2.577 20 0 GFADRO C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000420994010 563293015 /nfs/dbraw/zinc/29/30/15/563293015.db2.gz BQVSXRHVTSGZES-PBHICJAKSA-N 1 0 382.346 2.822 20 0 GFADRO CCOCCCC[NH2+]Cc1cc(Br)ccc1O[C@@H](C)C(=O)NC ZINC000296584293 563293820 /nfs/dbraw/zinc/29/38/20/563293820.db2.gz XBOZGRMLMSAMDM-ZDUSSCGKSA-N 1 0 387.318 2.869 20 0 GFADRO C[C@H]1CN(C(=O)c2c(F)cccc2Br)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000372355087 563303473 /nfs/dbraw/zinc/30/34/73/563303473.db2.gz GUTDQDVTFJHWJN-BBRMVZONSA-N 1 0 398.320 2.686 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)NC1CCC([NH+](C)C)CC1 ZINC000421288600 563305081 /nfs/dbraw/zinc/30/50/81/563305081.db2.gz MZEXICHWPJMLMM-UHFFFAOYSA-N 1 0 396.329 2.993 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000421302952 563306750 /nfs/dbraw/zinc/30/67/50/563306750.db2.gz RPFJETCNULUBBQ-CQSZACIVSA-N 1 0 382.302 2.557 20 0 GFADRO CCCN1C[C@H](C[NH2+]Cc2ccc(C(=O)OC)cc2Br)CC1=O ZINC000421355836 563308714 /nfs/dbraw/zinc/30/87/14/563308714.db2.gz VMJLRXWDRYFQTN-LBPRGKRZSA-N 1 0 383.286 2.584 20 0 GFADRO CC(C)(O)C[N@@H+]1CCCN(C(=O)Nc2cc(F)ccc2Br)CC1 ZINC000372512868 563309351 /nfs/dbraw/zinc/30/93/51/563309351.db2.gz JJSMYYOYGZLYHY-UHFFFAOYSA-N 1 0 388.281 2.899 20 0 GFADRO CCc1n[nH]c(C(=O)NCc2ccc(CC[NH+](C)C)cc2)c1Br ZINC000279764619 563309690 /nfs/dbraw/zinc/30/96/90/563309690.db2.gz PQZIHDXTCOLLLV-UHFFFAOYSA-N 1 0 379.302 2.769 20 0 GFADRO CC(C)(O)C[N@@H+]1CCCN(CCC(=O)Nc2ccc(Br)cc2)CC1 ZINC000372549870 563310500 /nfs/dbraw/zinc/31/05/00/563310500.db2.gz ARTYFBYYAQIJFX-UHFFFAOYSA-N 1 0 398.345 2.556 20 0 GFADRO Cc1cc(Br)c(C(=O)NCC[NH+]2CCC(O)CC2)cc1Cl ZINC000296970200 563310903 /nfs/dbraw/zinc/31/09/03/563310903.db2.gz OPXDHNZXIQHCRW-UHFFFAOYSA-N 1 0 375.694 2.597 20 0 GFADRO C[C@H](CO)[N@@H+](CC(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1)C[C@H](C)O ZINC000372612899 563312740 /nfs/dbraw/zinc/31/27/40/563312740.db2.gz MLROOUBLPUJAPA-IIYDPXPESA-N 1 0 389.323 2.721 20 0 GFADRO COc1cc(Br)c(C[NH2+]C[C@@H]2CCCN(C(C)=O)C2)cc1OC ZINC000279936426 563314920 /nfs/dbraw/zinc/31/49/20/563314920.db2.gz YLUBKGQHFPOVFD-ZDUSSCGKSA-N 1 0 385.302 2.814 20 0 GFADRO C[C@H](CO)[N@@H+]1CCCN(C(=O)Nc2ccc(Cl)cc2OC(F)F)CC1 ZINC000372722683 563315263 /nfs/dbraw/zinc/31/52/63/563315263.db2.gz ZIHWMCNNTZVHDG-LLVKDONJSA-N 1 0 377.819 2.862 20 0 GFADRO C[C@H](CO)[N@@H+]1CCCN(C(=O)Nc2ccc(Cl)c(OC(F)F)c2)CC1 ZINC000372733333 563315468 /nfs/dbraw/zinc/31/54/68/563315468.db2.gz WUVXSPQKFJQUJX-LLVKDONJSA-N 1 0 377.819 2.862 20 0 GFADRO C[C@H]([NH2+]CCCCn1cc(Br)cn1)c1ccc(-n2cnnn2)cc1 ZINC000279992221 563317849 /nfs/dbraw/zinc/31/78/49/563317849.db2.gz FJJFQEOOHQJWJL-ZDUSSCGKSA-N 1 0 390.289 2.752 20 0 GFADRO C[NH+](C)C1CCC(NC(=O)CCCS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000421681519 563318615 /nfs/dbraw/zinc/31/86/15/563318615.db2.gz XZHBJTRVYKITRD-UHFFFAOYSA-N 1 0 386.945 2.883 20 0 GFADRO COc1cc(Br)c(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1OC ZINC000297174249 563318924 /nfs/dbraw/zinc/31/89/24/563318924.db2.gz WVMVHUMCGWWJRW-YOGCLGLASA-N 1 0 383.286 2.821 20 0 GFADRO C[C@@H]1CCN(C(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)CC[S@]1=O ZINC000297232892 563321045 /nfs/dbraw/zinc/32/10/45/563321045.db2.gz NIHJMAPQXZNKJU-ITNZAGEZSA-N 1 0 383.583 2.513 20 0 GFADRO C[C@H]1CN(C(=O)NCc2ccc(O)c(Br)c2)CC[N@@H+](C2CC2)C1 ZINC000297276615 563322071 /nfs/dbraw/zinc/32/20/71/563322071.db2.gz KXLAOHHQDNKFJM-GFCCVEGCSA-N 1 0 382.302 2.780 20 0 GFADRO [NH3+]CC1CCN(C(=O)[C@H]2CCCN2C(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000297287134 563322112 /nfs/dbraw/zinc/32/21/12/563322112.db2.gz UOSHUHGVLWJHOB-MRXNPFEDSA-N 1 0 384.307 2.795 20 0 GFADRO C[C@@H](Cc1ccc(F)cc1Cl)[NH2+]C[C@H](O)CS(=O)(=O)c1cccs1 ZINC000421839875 563322752 /nfs/dbraw/zinc/32/27/52/563322752.db2.gz YTTRVDJSBVFBHH-FZMZJTMJSA-N 1 0 391.917 2.896 20 0 GFADRO O=C(NC[C@H](CO)Cc1cccc(Br)c1)[C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC000372936284 563322836 /nfs/dbraw/zinc/32/28/36/563322836.db2.gz VQYGIXRYWSFVSB-SOLBZPMBSA-N 1 0 395.341 2.591 20 0 GFADRO O=C(CCNC(=O)NCCCn1ccnc1)Nc1cc(Cl)cc(Cl)c1 ZINC000297392275 563325502 /nfs/dbraw/zinc/32/55/02/563325502.db2.gz OIOSKVZAQRDJNI-UHFFFAOYSA-N 1 0 384.267 2.908 20 0 GFADRO CC[C@@H](NC[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000280187531 563326412 /nfs/dbraw/zinc/32/64/12/563326412.db2.gz CTCWGJIKJWBUJC-CXAGYDPISA-N 1 0 385.961 2.773 20 0 GFADRO C[NH+](C)CCn1nccc1NC(=O)N1Cc2cccc(Br)c2C1 ZINC000297434270 563326438 /nfs/dbraw/zinc/32/64/38/563326438.db2.gz PFSBFWJXTWSTID-UHFFFAOYSA-N 1 0 378.274 2.755 20 0 GFADRO C[C@@H]1OCC[C@]12C[N@H+](CCC(=O)Nc1ccccc1Br)CCO2 ZINC000280248551 563329244 /nfs/dbraw/zinc/32/92/44/563329244.db2.gz BVIJTCCVJVLVBI-GUYCJALGSA-N 1 0 383.286 2.658 20 0 GFADRO CN1CCC2(CC[NH+](Cc3cc4c(c(Br)c3)OCO4)CC2)C1=O ZINC000373188374 563331458 /nfs/dbraw/zinc/33/14/58/563331458.db2.gz UWONAXBJOIEIDC-UHFFFAOYSA-N 1 0 381.270 2.622 20 0 GFADRO C[NH+]1CCC(n2ccc(NC(=O)c3cc(Br)cnc3Cl)n2)CC1 ZINC000373225671 563331674 /nfs/dbraw/zinc/33/16/74/563331674.db2.gz FYZPPLFECIMPNT-UHFFFAOYSA-N 1 0 398.692 3.213 20 0 GFADRO COC(=O)c1cc(NC(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)ccc1Br ZINC000373220636 563332076 /nfs/dbraw/zinc/33/20/76/563332076.db2.gz XQAAAPQDPFYYDD-OLZOCXBDSA-N 1 0 396.285 2.984 20 0 GFADRO CCOc1cc(CN(C)[C@H](C)CS(=O)(=O)CC)cc(Br)c1O ZINC000297661033 563332396 /nfs/dbraw/zinc/33/23/96/563332396.db2.gz JNYBNFZNELWRSB-LLVKDONJSA-N 1 0 394.331 2.808 20 0 GFADRO Cc1cc(Br)ccc1C(=O)N1CCC([NH2+][C@H](C)[C@@H](C)CO)CC1 ZINC000373386914 563336596 /nfs/dbraw/zinc/33/65/96/563336596.db2.gz YSIFVSPLDCJXFF-UONOGXRCSA-N 1 0 383.330 2.969 20 0 GFADRO Cc1cc(F)c(Br)cc1NC(=O)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000297856373 563338392 /nfs/dbraw/zinc/33/83/92/563338392.db2.gz PATCQOXZQFRZQG-LBPRGKRZSA-N 1 0 388.281 2.865 20 0 GFADRO CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000297896729 563339705 /nfs/dbraw/zinc/33/97/05/563339705.db2.gz RGYXXSGDBVZNNL-SFHVURJKSA-N 1 0 383.945 2.694 20 0 GFADRO C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@@H]1NC(=O)c1csc(C(F)(F)F)n1 ZINC000373508985 563340697 /nfs/dbraw/zinc/34/06/97/563340697.db2.gz NFVKHPUJUNUJOH-UTUOFQBUSA-N 1 0 377.432 2.781 20 0 GFADRO O=S(=O)([N-]c1cnn(C2CC[NH+](Cc3cccs3)CC2)c1)C(F)F ZINC000373506874 563340968 /nfs/dbraw/zinc/34/09/68/563340968.db2.gz OZDACWQALQXZHS-UHFFFAOYSA-N 1 0 376.454 2.746 20 0 GFADRO Cn1[nH]c(C2CC[NH2+]CC2)nc1=NC(=O)c1sc2ccccc2c1Cl ZINC000373565077 563342251 /nfs/dbraw/zinc/34/22/51/563342251.db2.gz XWPMRJVTRCJRAO-UHFFFAOYSA-N 1 0 375.885 2.824 20 0 GFADRO COCCN1CC[C@H]([NH2+]Cc2cc(Cl)cc(I)c2)C1 ZINC000424163945 563372651 /nfs/dbraw/zinc/37/26/51/563372651.db2.gz BECFGMUBXQSMDE-AWEZNQCLSA-N 1 0 394.684 2.755 20 0 GFADRO CCOC(=O)C1CCC(O)(C[NH2+][C@@H](C)c2ccc(Br)cn2)CC1 ZINC000280547046 563342515 /nfs/dbraw/zinc/34/25/15/563342515.db2.gz QDHDNRXMAXOFOJ-POZPTJLLSA-N 1 0 385.302 2.979 20 0 GFADRO Cc1cc([C@@H](C)[NH2+]C[C@H]2CCn3ncc(C(N)=O)c3C2)ccc1Br ZINC000373562598 563342487 /nfs/dbraw/zinc/34/24/87/563342487.db2.gz REILSADLCOCTKS-OLZOCXBDSA-N 1 0 391.313 2.966 20 0 GFADRO COc1cc(Cl)c(S(=O)(=O)N2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)cc1Cl ZINC000422555523 563342667 /nfs/dbraw/zinc/34/26/67/563342667.db2.gz QFADECDJOIKPGS-MXWKQRLJSA-N 1 0 381.325 2.996 20 0 GFADRO COCC[N@@H+]1CC[C@@H](NC(=O)c2cc(F)c(Br)cc2Cl)C1 ZINC000280563903 563343767 /nfs/dbraw/zinc/34/37/67/563343767.db2.gz QMGVCFVQYMEUTE-SECBINFHSA-N 1 0 379.657 2.692 20 0 GFADRO C[C@@H]1CN(c2ccccc2C[NH2+]CCn2cc(Br)cn2)CCO1 ZINC000298103740 563344668 /nfs/dbraw/zinc/34/46/68/563344668.db2.gz NRUBKGBBHQCZFS-CQSZACIVSA-N 1 0 379.302 2.661 20 0 GFADRO C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)N1CCC2(CC[NH2+]2)CC1 ZINC000422626299 563345386 /nfs/dbraw/zinc/34/53/86/563345386.db2.gz DQYCAMQMGUJVFR-CQSZACIVSA-N 1 0 380.330 2.624 20 0 GFADRO FC(F)(F)Cn1ccnc1C[NH2+]CCCCn1cc(Br)cn1 ZINC000280649451 563347935 /nfs/dbraw/zinc/34/79/35/563347935.db2.gz RYJFBJQOGBEMIW-UHFFFAOYSA-N 1 0 380.212 2.974 20 0 GFADRO CCOC(=O)[C@H]1NCC[C@@H]1[NH2+]CC1(c2ccc(Br)cc2)CCC1 ZINC000422742049 563349104 /nfs/dbraw/zinc/34/91/04/563349104.db2.gz QZCQBRYKXHMCNF-HOTGVXAUSA-N 1 0 381.314 2.754 20 0 GFADRO CC(C)[C@H](C(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)[C@H](C)[NH3+] ZINC000422930709 563350606 /nfs/dbraw/zinc/35/06/06/563350606.db2.gz VPDBNBBTXZZPOC-LRDDRELGSA-N 1 0 387.933 2.682 20 0 GFADRO CC[C@@H](NCCC(=O)N(C)Cc1ccccc1Br)[C@@H]1CCC[NH2+]1 ZINC000422909231 563350818 /nfs/dbraw/zinc/35/08/18/563350818.db2.gz NRHILNSGXAMXKF-SJORKVTESA-N 1 0 382.346 2.918 20 0 GFADRO C[C@@H]([NH2+]C[C@H](O)CC(C)(C)C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000280717009 563351236 /nfs/dbraw/zinc/35/12/36/563351236.db2.gz MXXHDFHLPZMGJR-ZYHUDNBSSA-N 1 0 393.347 2.544 20 0 GFADRO [NH3+][C@@H]1C[C@H](NC[C@@H](O)COc2ccccc2Br)c2ccccc21 ZINC000422938458 563351516 /nfs/dbraw/zinc/35/15/16/563351516.db2.gz KXCYQCRXUXPIRL-JLZZUVOBSA-N 1 0 377.282 2.923 20 0 GFADRO C[C@@H](C[C@H]1COCCN1)[NH2+]CC1(c2cccc(Br)c2)CCOCC1 ZINC000422944537 563351569 /nfs/dbraw/zinc/35/15/69/563351569.db2.gz MLFRYUXSMHKCCH-YJBOKZPZSA-N 1 0 397.357 2.854 20 0 GFADRO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000422999992 563352667 /nfs/dbraw/zinc/35/26/67/563352667.db2.gz GKTPPASWEOHPKR-ZENOOKHLSA-N 1 0 384.307 2.538 20 0 GFADRO C[C@H]1CN(C(=O)C(=O)N(Cc2cccs2)Cc2cccs2)CC[C@H]1[NH3+] ZINC000423014553 563352939 /nfs/dbraw/zinc/35/29/39/563352939.db2.gz IRYILWKYFWOOOM-XJKSGUPXSA-N 1 0 377.535 2.534 20 0 GFADRO CC(C)[C@@H](CNC(=O)Nc1ccccc1Br)[NH+]1CCN(C)CC1 ZINC000298403130 563353917 /nfs/dbraw/zinc/35/39/17/563353917.db2.gz NGZNTLNPSKXRBF-MRXNPFEDSA-N 1 0 383.334 2.843 20 0 GFADRO C[C@H](CCc1ccc(Br)cc1)NC(=O)c1cn(CCCC[NH3+])nn1 ZINC000423078922 563353954 /nfs/dbraw/zinc/35/39/54/563353954.db2.gz PQUZKBGVOZHVQP-CYBMUJFWSA-N 1 0 394.317 2.531 20 0 GFADRO C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)C(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000423080991 563354727 /nfs/dbraw/zinc/35/47/27/563354727.db2.gz CDAIIUZCPBZUTN-FRRDWIJNSA-N 1 0 384.307 2.581 20 0 GFADRO C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000423089458 563354826 /nfs/dbraw/zinc/35/48/26/563354826.db2.gz SFGJOABUICQUJW-BNOWGMLFSA-N 1 0 384.307 2.866 20 0 GFADRO CCOC(=O)[C@@H]1NCC[C@H]1[NH2+][C@H]1C[C@H](c2ccc(F)c(Br)c2)C1 ZINC000423099346 563355687 /nfs/dbraw/zinc/35/56/87/563355687.db2.gz TWNZTOGRTWOSON-CZPYZCIJSA-N 1 0 385.277 2.717 20 0 GFADRO C[C@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000423113219 563356135 /nfs/dbraw/zinc/35/61/35/563356135.db2.gz KOBYSCFJSAPJDU-XBFCOCLRSA-N 1 0 384.307 2.581 20 0 GFADRO CCOC(=O)[C@@H]1NCC[C@H]1[NH2+][C@H](CCOC)c1ccc(Cl)c(Cl)c1 ZINC000423111110 563356139 /nfs/dbraw/zinc/35/61/39/563356139.db2.gz VVEOEKLFIAXAEM-BZUAXINKSA-N 1 0 375.296 2.954 20 0 GFADRO O=C(Cc1cc2c(cc1Br)OCCO2)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000298472217 563356659 /nfs/dbraw/zinc/35/66/59/563356659.db2.gz BQWCHTVXQNTTSA-CABCVRRESA-N 1 0 395.297 2.506 20 0 GFADRO C[C@H]([NH2+]C[C@@H](CO)Cc1cc(Br)ccc1F)c1cnccc1N ZINC000423156087 563356965 /nfs/dbraw/zinc/35/69/65/563356965.db2.gz MBACUEDMAPNBKK-RYUDHWBXSA-N 1 0 382.277 2.898 20 0 GFADRO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000423161912 563357837 /nfs/dbraw/zinc/35/78/37/563357837.db2.gz SSCIBKMCYPILKM-APHBMKBZSA-N 1 0 384.307 2.538 20 0 GFADRO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000423161768 563357886 /nfs/dbraw/zinc/35/78/86/563357886.db2.gz SHEMESYHHQAABI-SFHVURJKSA-N 1 0 384.307 2.554 20 0 GFADRO CC(C)[C@@H](CNS(=O)(=O)c1c(Cl)cccc1Cl)N1CC[NH+](C)CC1 ZINC000298523824 563358328 /nfs/dbraw/zinc/35/83/28/563358328.db2.gz WRZCCTRFGISHLU-OAHLLOKOSA-N 1 0 394.368 2.544 20 0 GFADRO [NH3+]CCCCn1cc(C(=O)N2CCSC[C@H]2c2ccc(Cl)cc2)nn1 ZINC000423216558 563358476 /nfs/dbraw/zinc/35/84/76/563358476.db2.gz QKOFZJADAGHEIO-INIZCTEOSA-N 1 0 379.917 2.601 20 0 GFADRO Fc1ccc([C@H](NCCN2CC[NH2+]CC2)c2ccc(Br)o2)cc1 ZINC000423209787 563358533 /nfs/dbraw/zinc/35/85/33/563358533.db2.gz VQFMQSRKHVGPPI-KRWDZBQOSA-N 1 0 382.277 2.765 20 0 GFADRO CC[C@@H]([NH2+]CCNc1ccccn1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000280886111 563359548 /nfs/dbraw/zinc/35/95/48/563359548.db2.gz OSTRNASSLJMKLD-OAHLLOKOSA-N 1 0 382.917 2.796 20 0 GFADRO [NH3+]CCCCn1cc(C(=O)Nc2ccc3cccc(Br)c3n2)nn1 ZINC000423275826 563359542 /nfs/dbraw/zinc/35/95/42/563359542.db2.gz NPOINLBXCXMNFM-UHFFFAOYSA-N 1 0 389.257 2.580 20 0 GFADRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccccc2CS(=O)(=O)NC(C)C)[C@@H]1SC ZINC000298554027 563359833 /nfs/dbraw/zinc/35/98/33/563359833.db2.gz VDJZZTKCRSCTTE-KURKYZTESA-N 1 0 386.583 2.513 20 0 GFADRO CC[C@H](CSC)[NH2+][C@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000280901887 563360316 /nfs/dbraw/zinc/36/03/16/563360316.db2.gz FKJZLJVBBGEIST-MWLCHTKSSA-N 1 0 381.361 2.889 20 0 GFADRO Cc1cc(Br)ccc1CN(C)C(=O)C(=O)N(C)CC[C@@H]([NH3+])C(C)C ZINC000423458633 563361092 /nfs/dbraw/zinc/36/10/92/563361092.db2.gz QDHHKNVPXMRMCY-MRXNPFEDSA-N 1 0 398.345 2.548 20 0 GFADRO CC[C@H]([NH2+]Cc1c(C)nn(C)c1C)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000280941346 563361703 /nfs/dbraw/zinc/36/17/03/563361703.db2.gz SLXZTTVCDBYXBD-INIZCTEOSA-N 1 0 384.933 2.839 20 0 GFADRO C[C@@H]([NH3+])C1CCN(C(=O)C(=O)N(C)[C@@H](C)c2ccccc2Br)CC1 ZINC000423558709 563361981 /nfs/dbraw/zinc/36/19/81/563361981.db2.gz JNKHZGRROVJRHU-OLZOCXBDSA-N 1 0 396.329 2.554 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N2CCc3cc(Cl)cc(Cl)c3[C@@H]2C)C1 ZINC000423554167 563362166 /nfs/dbraw/zinc/36/21/66/563362166.db2.gz LFEQZXOZNKEMRY-GVXVVHGQSA-N 1 0 384.307 2.635 20 0 GFADRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N(C)[C@H](C)c1ccccc1Br ZINC000423572037 563362232 /nfs/dbraw/zinc/36/22/32/563362232.db2.gz WPWWCXZPAUCISM-CJNGLKHVSA-N 1 0 398.345 2.800 20 0 GFADRO C[C@@H]1c2cc(Cl)c(Cl)cc2CCN1C(=O)C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000423549368 563362243 /nfs/dbraw/zinc/36/22/43/563362243.db2.gz DENCFOCGSVQVEI-ZMZPIMSZSA-N 1 0 384.307 2.636 20 0 GFADRO C[C@@H]1c2cc(Cl)cc(Cl)c2CCN1C(=O)C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000423545129 563362247 /nfs/dbraw/zinc/36/22/47/563362247.db2.gz OTZSATIRBYQBLC-ZMZPIMSZSA-N 1 0 384.307 2.636 20 0 GFADRO Cn1ncc(Br)c1C(=O)N1C[C@@H]2CCC[N@@H+]2Cc2ccccc21 ZINC000298646617 563362659 /nfs/dbraw/zinc/36/26/59/563362659.db2.gz WFFKFDPXPPHZPJ-ZDUSSCGKSA-N 1 0 375.270 2.807 20 0 GFADRO CCc1c(C(=O)N2CC[C@H]([NH3+])[C@@H]2C)cnn1-c1ccc(Br)cc1 ZINC000423667755 563362753 /nfs/dbraw/zinc/36/27/53/563362753.db2.gz KVZGAIYSMRFEJD-NHYWBVRUSA-N 1 0 377.286 2.759 20 0 GFADRO CN(Cc1ccc(Cl)s1)C(=O)C(=O)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000423728372 563363334 /nfs/dbraw/zinc/36/33/34/563363334.db2.gz LVHALTBIHRFROQ-UKRRQHHQSA-N 1 0 383.945 2.741 20 0 GFADRO [NH3+][C@@H]1CCC[C@H]2CN(S(=O)(=O)c3cccc(Cl)c3Br)C[C@H]21 ZINC000374174011 563363733 /nfs/dbraw/zinc/36/37/33/563363733.db2.gz IHLVCTQOTYILBD-HOSYDEDBSA-N 1 0 393.734 2.850 20 0 GFADRO COC(=O)c1cc(NC(=O)[C@H](C(C)C)[C@@H](C)[NH3+])cc(Br)c1F ZINC000423920417 563364201 /nfs/dbraw/zinc/36/42/01/563364201.db2.gz VUUSXOMQZKDEGD-PRHODGIISA-N 1 0 375.238 2.933 20 0 GFADRO O=C(COc1ccc(Br)cc1F)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000423959884 563365533 /nfs/dbraw/zinc/36/55/33/563365533.db2.gz MZVUUJSQLKODEJ-SWLSCSKDSA-N 1 0 385.277 2.958 20 0 GFADRO Cc1nc(C(=O)N2CC[C@H](C)[C@H](C[NH3+])C2)nn1-c1c(Cl)cccc1Cl ZINC000424016601 563366860 /nfs/dbraw/zinc/36/68/60/563366860.db2.gz OAUVXEKOTOUQGG-CMPLNLGQSA-N 1 0 382.295 2.939 20 0 GFADRO [NH3+]Cc1cn([C@H]2CCCN(C(=O)c3cccc(Br)c3Cl)C2)nn1 ZINC000423997359 563366930 /nfs/dbraw/zinc/36/69/30/563366930.db2.gz HTONBWOGPFIUFV-NSHDSACASA-N 1 0 398.692 2.630 20 0 GFADRO C[C@@H]1CCN(C(=O)c2[nH]nc(-c3ccccc3)c2Br)C[C@@H]1C[NH3+] ZINC000424006233 563366958 /nfs/dbraw/zinc/36/69/58/563366958.db2.gz GDIHGFPWOMCTLG-YPMHNXCESA-N 1 0 377.286 2.896 20 0 GFADRO O=C(Nc1ccccc1OCCN1CC[NH2+]CC1)c1ccc(Br)o1 ZINC000424008186 563367110 /nfs/dbraw/zinc/36/71/10/563367110.db2.gz WJGDDZCNUVNGPS-UHFFFAOYSA-N 1 0 394.269 2.578 20 0 GFADRO [NH3+]Cc1cn([C@@H]2CCCN(C(=O)c3cccc(Br)c3Cl)C2)nn1 ZINC000423997357 563367258 /nfs/dbraw/zinc/36/72/58/563367258.db2.gz HTONBWOGPFIUFV-LLVKDONJSA-N 1 0 398.692 2.630 20 0 GFADRO C[NH2+]CCCN(C)C(=O)c1ccc(-n2nc(C)c(Br)c2C)cc1 ZINC000424027455 563368064 /nfs/dbraw/zinc/36/80/64/563368064.db2.gz BIZIRNZGFLGQDB-UHFFFAOYSA-N 1 0 379.302 2.933 20 0 GFADRO COc1cc(C(=O)N2CC[C@H](c3nccn3C)C2)cc(OC)c1Br ZINC000374330087 563368084 /nfs/dbraw/zinc/36/80/84/563368084.db2.gz HIEHBKRUPPRFEF-NSHDSACASA-N 1 0 394.269 2.830 20 0 GFADRO C[C@@H]1CN(C(=O)c2ccc(Br)c(F)c2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000374319469 563368329 /nfs/dbraw/zinc/36/83/29/563368329.db2.gz YTOFVFYVQXAJAH-CXAGYDPISA-N 1 0 398.320 2.686 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2C(=O)Cc1cc(Br)ccc1F ZINC000374412041 563371182 /nfs/dbraw/zinc/37/11/82/563371182.db2.gz PKLADQHPWNNLGF-DJIMGWMZSA-N 1 0 399.304 2.841 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)c1cc(F)cc(Br)c1 ZINC000374412168 563371419 /nfs/dbraw/zinc/37/14/19/563371419.db2.gz QHIVWPJSWKJWNZ-OAGGEKHMSA-N 1 0 385.277 2.912 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCOC(C)(C)C1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000281288570 563372026 /nfs/dbraw/zinc/37/20/26/563372026.db2.gz ZWEWHJHDGKFHKM-CMPLNLGQSA-N 1 0 391.331 2.705 20 0 GFADRO OCC[NH2+]C1CCN(c2ccc(-c3ccc(Br)s3)nn2)CC1 ZINC000281285644 563372160 /nfs/dbraw/zinc/37/21/60/563372160.db2.gz XNKJUXNHFXRNMY-UHFFFAOYSA-N 1 0 383.315 2.518 20 0 GFADRO CCOc1cc(C[NH2+]C[C@H]2CCN(C)C(=O)C2)cc(Br)c1OC ZINC000424190397 563372321 /nfs/dbraw/zinc/37/23/21/563372321.db2.gz OHYVCILGCDPLBF-LBPRGKRZSA-N 1 0 385.302 2.814 20 0 GFADRO CC(C)(C(=O)NCCC[NH+]1CCC(O)CC1)c1ccccc1Br ZINC000281346992 563373997 /nfs/dbraw/zinc/37/39/97/563373997.db2.gz TUWOPFLXKGSJKP-UHFFFAOYSA-N 1 0 383.330 2.690 20 0 GFADRO Cc1nc(N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)sc1S(N)(=O)=O ZINC000374538511 563374982 /nfs/dbraw/zinc/37/49/82/563374982.db2.gz RDRHWOFGWQJHSX-WFASDCNBSA-N 1 0 380.539 2.564 20 0 GFADRO C[C@@H]([NH2+]CCCCS(C)(=O)=O)c1ccccc1I ZINC000424308095 563375760 /nfs/dbraw/zinc/37/57/60/563375760.db2.gz NUBIHBRCCDQMPQ-LLVKDONJSA-N 1 0 381.279 2.767 20 0 GFADRO C[C@@H](Cn1cc(Br)cn1)[NH2+]CCNC(=O)CCCc1ccccc1 ZINC000424316335 563375770 /nfs/dbraw/zinc/37/57/70/563375770.db2.gz DCEKNLWXZDXIIJ-HNNXBMFYSA-N 1 0 393.329 2.763 20 0 GFADRO COC(=O)CC1CC([NH2+]C[C@@H](CO)Cc2cc(F)cc(Br)c2)C1 ZINC000424340571 563375875 /nfs/dbraw/zinc/37/58/75/563375875.db2.gz YCJQRKVMXBRCJE-UYJPIKCFSA-N 1 0 388.277 2.671 20 0 GFADRO COC(=O)CC1CC([NH2+][C@H]2CCN(c3ccc(Br)c(C)c3)C2=O)C1 ZINC000424286482 563376269 /nfs/dbraw/zinc/37/62/69/563376269.db2.gz WEWHPLWUKMHNTF-ZUEPYMLJSA-N 1 0 395.297 2.794 20 0 GFADRO CN(C)S(=O)(=O)c1ccc(Cl)c(-c2nc(C3([NH3+])CCCCC3)no2)c1 ZINC000424337043 563376298 /nfs/dbraw/zinc/37/62/98/563376298.db2.gz KMVFXSDZUHCRHS-UHFFFAOYSA-N 1 0 384.889 2.758 20 0 GFADRO O=C(NCC1CC[NH+](C[C@H](O)c2ccc(F)cc2Cl)CC1)C(F)(F)F ZINC000281418923 563376540 /nfs/dbraw/zinc/37/65/40/563376540.db2.gz RPXZKOZESYBINO-AWEZNQCLSA-N 1 0 382.785 2.903 20 0 GFADRO C[C@@H]1CC2(CN1S(=O)(=O)c1cccc(Br)c1F)CC[NH2+]CC2 ZINC000424391807 563377850 /nfs/dbraw/zinc/37/78/50/563377850.db2.gz NSPQLNLKIVGKCJ-LLVKDONJSA-N 1 0 391.306 2.741 20 0 GFADRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)c3cc(=O)[nH]c4c(Br)cccc34)C[C@@H]21 ZINC000374614319 563377927 /nfs/dbraw/zinc/37/79/27/563377927.db2.gz UTMPPEOYMNIRBB-VZJVUDMVSA-N 1 0 390.281 2.902 20 0 GFADRO NC(=O)NC(=O)OCCC[N@@H+]1CCC[C@@H]1c1ccc(Br)s1 ZINC000374611953 563378272 /nfs/dbraw/zinc/37/82/72/563378272.db2.gz NISPUPIWHSQQJD-SECBINFHSA-N 1 0 376.276 2.843 20 0 GFADRO COCC[NH+]1CCC(NC(=O)c2cc3c(cc(Br)cc3F)[nH]2)CC1 ZINC000299225270 563378485 /nfs/dbraw/zinc/37/84/85/563378485.db2.gz AAGRLSOZMRIHMT-UHFFFAOYSA-N 1 0 398.276 2.910 20 0 GFADRO C[NH+]1CCC(O)(CNC(=O)N[C@H]2C[C@H](c3ccc(Cl)c(Cl)c3)C2)CC1 ZINC000281482867 563378575 /nfs/dbraw/zinc/37/85/75/563378575.db2.gz UUEIWHGWVMGRDO-HDJSIYSDSA-N 1 0 386.323 2.995 20 0 GFADRO [NH3+][C@@H]1CCCC[C@H]1NC(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000424476256 563379807 /nfs/dbraw/zinc/37/98/07/563379807.db2.gz KNPFMNBIJNBAOB-FVQBIDKESA-N 1 0 381.318 2.597 20 0 GFADRO CC[NH2+][C@H](C)CNC(=O)NCc1cc(Cl)cc(I)c1 ZINC000424473555 563380076 /nfs/dbraw/zinc/38/00/76/563380076.db2.gz GVYWHJUSVZNELV-SECBINFHSA-N 1 0 395.672 2.742 20 0 GFADRO O=C(CC[N@@H+]1CCC[C@H]1C(=O)NC1CC1)Nc1ccccc1Br ZINC000299272327 563380140 /nfs/dbraw/zinc/38/01/40/563380140.db2.gz MGYRFTMKBRMXAG-HNNXBMFYSA-N 1 0 380.286 2.521 20 0 GFADRO C[C@H](CNC(=O)C[C@](O)(c1nc2ccccc2s1)C(F)(F)F)[NH+](C)C ZINC000299273688 563380152 /nfs/dbraw/zinc/38/01/52/563380152.db2.gz WBNFIIYDDRFULP-BMIGLBTASA-N 1 0 375.416 2.503 20 0 GFADRO Cc1c(C(=O)N2CCC[C@H](CC[NH3+])C2)nnn1-c1cccc(Br)c1 ZINC000281601369 563380423 /nfs/dbraw/zinc/38/04/23/563380423.db2.gz AJOUQMFUTBLXSU-CYBMUJFWSA-N 1 0 392.301 2.539 20 0 GFADRO COC(=O)Cc1csc(NC(=O)C[NH2+][C@@H](C)c2ccccc2SC)n1 ZINC000281632113 563381147 /nfs/dbraw/zinc/38/11/47/563381147.db2.gz IJIUUTRKZIQNIH-NSHDSACASA-N 1 0 379.507 2.870 20 0 GFADRO O=C(CCN1CCC=C(Br)C1)Nc1ccc(N2CCOCC2)cc1 ZINC000281726793 563384916 /nfs/dbraw/zinc/38/49/16/563384916.db2.gz VUUXRVFMIZAVNL-UHFFFAOYSA-N 1 0 394.313 2.836 20 0 GFADRO COc1ncc(C(=O)N2CCC(C[NH+]3CCCC3)CC2)cc1Br ZINC000424658424 563385434 /nfs/dbraw/zinc/38/54/34/563385434.db2.gz PWFQXVONPKFENJ-UHFFFAOYSA-N 1 0 382.302 2.801 20 0 GFADRO COCCC[NH+]1CCC(NC(=O)c2c(C)ccc(Br)c2OC)CC1 ZINC000424654311 563385447 /nfs/dbraw/zinc/38/54/47/563385447.db2.gz YWFREWIPEHCNAQ-UHFFFAOYSA-N 1 0 399.329 2.997 20 0 GFADRO COc1ncc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)cc1Br ZINC000424698275 563387703 /nfs/dbraw/zinc/38/77/03/563387703.db2.gz CICQJJLZGKKNCZ-KGLIPLIRSA-N 1 0 382.302 2.940 20 0 GFADRO Cc1nc(CN2CCC(C[NH2+][C@@H]3CCCC[C@@H]3S(C)(=O)=O)CC2)cs1 ZINC000375005432 563387774 /nfs/dbraw/zinc/38/77/74/563387774.db2.gz OLWJWOSTZTWRRI-MSOLQXFVSA-N 1 0 385.599 2.609 20 0 GFADRO C[N@@H+]1CC[C@@H]2CCN(CCC(=O)Nc3ccc(Br)cc3F)C[C@@H]21 ZINC000375033992 563388688 /nfs/dbraw/zinc/38/86/88/563388688.db2.gz BRLQXGQKYFWJGB-WBMJQRKESA-N 1 0 384.293 2.943 20 0 GFADRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)Nc1ncnc2c1c(Br)nn2C ZINC000301149358 563394579 /nfs/dbraw/zinc/39/45/79/563394579.db2.gz IXIGOBPOBRIZJR-GRYCIOLGSA-N 1 0 381.322 2.904 20 0 GFADRO COc1cc(S(=O)(=O)N2CCC[C@@H]2c2ncc[nH]2)ccc1Br ZINC000375198470 563394677 /nfs/dbraw/zinc/39/46/77/563394677.db2.gz WUXNLTJSXIXYTQ-GFCCVEGCSA-N 1 0 386.271 2.707 20 0 GFADRO O=C1CC[C@H]([NH2+]Cc2cc3c(cc2Br)OCCCO3)[C@H](C2CC2)N1 ZINC000375282393 563398483 /nfs/dbraw/zinc/39/84/83/563398483.db2.gz RHECRKBIGQKPOL-KSSFIOAISA-N 1 0 395.297 2.757 20 0 GFADRO Cn1ncc(NC[C@@H](c2ccccc2)[NH+]2CCCC2)c(Br)c1=O ZINC000301276289 563399436 /nfs/dbraw/zinc/39/94/36/563399436.db2.gz ZHJSFHLYHKNHQJ-HNNXBMFYSA-N 1 0 377.286 2.792 20 0 GFADRO COCC(C)(C)[NH+]1CCN(C(=O)c2c[nH]c3ncc(Br)cc23)CC1 ZINC000424981588 563399936 /nfs/dbraw/zinc/39/99/36/563399936.db2.gz BPTOMSUSIWDVOW-UHFFFAOYSA-N 1 0 395.301 2.508 20 0 GFADRO Clc1cc(Cl)cc(CCN2CCN(CC[N@@H+]3CCCOCC3)CC2)c1 ZINC000375337420 563400375 /nfs/dbraw/zinc/40/03/75/563400375.db2.gz SBIKRWSDYSKZAJ-UHFFFAOYSA-N 1 0 386.367 2.876 20 0 GFADRO C[NH+]1CCC(NC(=O)C2(c3ccc(I)cc3)CC2)CC1 ZINC000282191509 563400833 /nfs/dbraw/zinc/40/08/33/563400833.db2.gz WPIAGGQPLUFIJF-UHFFFAOYSA-N 1 0 384.261 2.533 20 0 GFADRO C[NH+]1CCC(CNc2ncnc3ccc(I)cc32)CC1 ZINC000301430745 563403732 /nfs/dbraw/zinc/40/37/32/563403732.db2.gz VJXIQLDPUXDHSV-UHFFFAOYSA-N 1 0 382.249 2.988 20 0 GFADRO CN(CC[NH+](C)C)c1ccc(Br)cc1NC(=O)[C@@H]1CCCCO1 ZINC000425100502 563404377 /nfs/dbraw/zinc/40/43/77/563404377.db2.gz UYRGBNGLDVHFSG-INIZCTEOSA-N 1 0 384.318 2.955 20 0 GFADRO COc1cc(C[NH2+]C2CCN(c3cccnn3)CC2)c(Br)cc1O ZINC000375435784 563405091 /nfs/dbraw/zinc/40/50/91/563405091.db2.gz INYGFLDFAUHVND-UHFFFAOYSA-N 1 0 393.285 2.712 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1cc(Br)cnc1OCC1CC1 ZINC000375607116 563411850 /nfs/dbraw/zinc/41/18/50/563411850.db2.gz RIGYUQCBVAZUQG-CABCVRRESA-N 1 0 394.313 2.990 20 0 GFADRO COc1cc2[nH+]ccc(N(C)CCNC(=O)N(C)C)c2cc1Br ZINC000425249056 563415117 /nfs/dbraw/zinc/41/51/17/563415117.db2.gz SIWSYEFGUQXXCA-UHFFFAOYSA-N 1 0 381.274 2.713 20 0 GFADRO Cc1ccc(CC(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)cc1Br ZINC000375774029 563417551 /nfs/dbraw/zinc/41/75/51/563417551.db2.gz LYVLIXZBZJUURN-MRXNPFEDSA-N 1 0 381.314 2.670 20 0 GFADRO COc1ccc(Br)cc1CNc1cc(-n2cccn2)nc(N)[nH+]1 ZINC000301985501 563418295 /nfs/dbraw/zinc/41/82/95/563418295.db2.gz TUYHSILLBJNFPD-UHFFFAOYSA-N 1 0 375.230 2.628 20 0 GFADRO COc1ccc(C[NH2+][C@@H]2CCC(=O)NC23CCC3)c(Br)c1OC ZINC000282675767 563420482 /nfs/dbraw/zinc/42/04/82/563420482.db2.gz CRRLWRPTMABJSC-CYBMUJFWSA-N 1 0 383.286 2.757 20 0 GFADRO C[C@@H]([NH2+]CC1(OCCO)CCOCC1)c1cc(Br)ccc1F ZINC000282711680 563422218 /nfs/dbraw/zinc/42/22/18/563422218.db2.gz LLYYMWYUDZKVSU-GFCCVEGCSA-N 1 0 376.266 2.797 20 0 GFADRO C[C@H]1OCC[C@@]12C[N@H+](CCC(=O)Nc1ccc(Br)cc1)CCO2 ZINC000375927802 563423248 /nfs/dbraw/zinc/42/32/48/563423248.db2.gz NWCHIUUGOSZTJF-CXAGYDPISA-N 1 0 383.286 2.658 20 0 GFADRO NC(=O)c1c[nH+]ccc1NC[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000302211816 563423564 /nfs/dbraw/zinc/42/35/64/563423564.db2.gz HAGLTDXRBCJZSZ-GFCCVEGCSA-N 1 0 375.270 2.881 20 0 GFADRO C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)C1CCN(C(=O)c2ccc(Cl)s2)CC1 ZINC000375938554 563424325 /nfs/dbraw/zinc/42/43/25/563424325.db2.gz SOZDEAZHVLHDID-XHBSWPGZSA-N 1 0 383.945 2.756 20 0 GFADRO CCC[N@@H+]1CC[C@H](CNC(=O)NC[C@@H](O)c2cccc(Br)c2)C1 ZINC000282780993 563424483 /nfs/dbraw/zinc/42/44/83/563424483.db2.gz FXOUQHQDXQSYAY-CZUORRHYSA-N 1 0 384.318 2.514 20 0 GFADRO Cc1ccc(I)cc1NC(=O)C[C@@H]1CSCC[NH2+]1 ZINC000302362992 563424647 /nfs/dbraw/zinc/42/46/47/563424647.db2.gz YIPKBJXJOWCVIK-LLVKDONJSA-N 1 0 376.263 2.633 20 0 GFADRO OCCOC1(C[NH2+][C@@H]2CCCc3ccc(Br)cc32)CCOCC1 ZINC000282838218 563426284 /nfs/dbraw/zinc/42/62/84/563426284.db2.gz SQBIQCAQXFFTPD-QGZVFWFLSA-N 1 0 384.314 2.974 20 0 GFADRO O=S(=O)(NC[C@@H]1CC[N@@H+](C2CC2)C1)c1c(Cl)cccc1Br ZINC000282885010 563428403 /nfs/dbraw/zinc/42/84/03/563428403.db2.gz DAUVAJIZGIJULJ-JTQLQIEISA-N 1 0 393.734 2.865 20 0 GFADRO C[C@@H](CNc1cc(N2CCSCC2)ncn1)[N@@H+]1CCc2sccc2C1 ZINC000302804571 563430665 /nfs/dbraw/zinc/43/06/65/563430665.db2.gz WEKXFZIUJXEZSR-AWEZNQCLSA-N 1 0 375.567 2.950 20 0 GFADRO CN(Cc1c(F)cccc1Cl)S(=O)(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000376128494 563430902 /nfs/dbraw/zinc/43/09/02/563430902.db2.gz JRQBSILKXGBKGR-DYVFJYSZSA-N 1 0 389.924 2.620 20 0 GFADRO C[NH+](C)[C@@]1(CNC(=O)Nc2cnc3c(Br)cccn23)CCSC1 ZINC000425675793 563431116 /nfs/dbraw/zinc/43/11/16/563431116.db2.gz RWRXRUBKJMIRAN-OAHLLOKOSA-N 1 0 398.330 2.656 20 0 GFADRO CS(=O)(=O)c1cccc(Br)c1N1CCC[C@H](N2CCCC2)C1 ZINC000376159152 563431907 /nfs/dbraw/zinc/43/19/07/563431907.db2.gz UCTIUTRRNBBMCY-ZDUSSCGKSA-N 1 0 387.343 2.917 20 0 GFADRO C[C@H](CO)[N@@H+]1CCCN(C(=O)Nc2cc(Cl)ccc2OC(F)F)CC1 ZINC000425714815 563433096 /nfs/dbraw/zinc/43/30/96/563433096.db2.gz PMRDUUWXQSJAEW-LLVKDONJSA-N 1 0 377.819 2.862 20 0 GFADRO Cc1cc(NC(=O)[C@@H]2C[C@@]23CC[NH2+]C3)n(-c2cccc(Br)c2)n1 ZINC000376245544 563434344 /nfs/dbraw/zinc/43/43/44/563434344.db2.gz SHYUAPSLRNHHNC-WMLDXEAASA-N 1 0 375.270 2.881 20 0 GFADRO CC1(C)[NH2+]CC[C@H]1NC(=O)c1ccc(I)c(Cl)c1 ZINC000307890173 563434786 /nfs/dbraw/zinc/43/47/86/563434786.db2.gz CWSNGNDQQOSBRB-LLVKDONJSA-N 1 0 378.641 2.815 20 0 GFADRO C[N@@H+]1CC[C@@H](CNS(=O)(=O)c2cnc(Cl)c(F)c2)[C@@H]1c1cccs1 ZINC000376267938 563435204 /nfs/dbraw/zinc/43/52/04/563435204.db2.gz YAPMWEXCEBYONN-IINYFYTJSA-N 1 0 389.905 2.907 20 0 GFADRO O=C(Cc1ccc(Cl)s1)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000283227878 563439140 /nfs/dbraw/zinc/43/91/40/563439140.db2.gz OPKLNGDUIKUFLI-NVXWUHKLSA-N 1 0 378.925 2.943 20 0 GFADRO CC[NH+](CC)CCN(CC(C)C)S(=O)(=O)c1cncc(Br)c1 ZINC000314813439 563439759 /nfs/dbraw/zinc/43/97/59/563439759.db2.gz NSWWSFAOPQRIBR-UHFFFAOYSA-N 1 0 392.363 2.833 20 0 GFADRO CCOc1ccc(Br)cc1S(=O)(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000315121065 563440251 /nfs/dbraw/zinc/44/02/51/563440251.db2.gz NNLIMZGJHFFKMH-VXGBXAGGSA-N 1 0 391.331 2.514 20 0 GFADRO CCN(CC)S(=O)(=O)c1ccc(C[NH2+]C2CCC(C(=O)OC)CC2)s1 ZINC000425935657 563440388 /nfs/dbraw/zinc/44/03/88/563440388.db2.gz FAMFOSGYCWHCFJ-UHFFFAOYSA-N 1 0 388.555 2.600 20 0 GFADRO Cc1cn2c(n1)[C@@H](C[N-]S(=O)(=O)c1c(Cl)ccc(F)c1F)CCC2 ZINC000376390518 563440592 /nfs/dbraw/zinc/44/05/92/563440592.db2.gz DBJKOQUXMHIAAR-SNVBAGLBSA-N 1 0 375.828 2.979 20 0 GFADRO CCOc1ccc(Br)cc1S(=O)(=O)N1CC[C@@H]([NH3+])[C@H](CC)C1 ZINC000316777947 563441691 /nfs/dbraw/zinc/44/16/91/563441691.db2.gz FULRIMLYQZJINR-DGCLKSJQSA-N 1 0 391.331 2.596 20 0 GFADRO O=S(=O)(c1ccc(Br)c(F)c1)N1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000318315772 563442984 /nfs/dbraw/zinc/44/29/84/563442984.db2.gz PCWVWIQZSSIUPB-GJZGRUSLSA-N 1 0 391.306 2.883 20 0 GFADRO [NH3+][C@@H]1CCC[C@@]12CCN(C(=O)c1cc(F)ccc1I)C2 ZINC000376457884 563443292 /nfs/dbraw/zinc/44/32/92/563443292.db2.gz KXUAPIISJAANRM-HIFRSBDPSA-N 1 0 388.224 2.774 20 0 GFADRO C[C@H](c1ncc(Br)cn1)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000376506091 563444103 /nfs/dbraw/zinc/44/41/03/563444103.db2.gz JDAXWAIFWYGAMM-OAHLLOKOSA-N 1 0 396.377 2.650 20 0 GFADRO C[C@@H]1CC[N@H+](C)CCN1C(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000426426829 563449962 /nfs/dbraw/zinc/44/99/62/563449962.db2.gz JPPZGVIDQUBWEA-GDBMZVCRSA-N 1 0 395.345 2.763 20 0 GFADRO C[N@@H+]1CC[C@H](CNC(=O)c2cnc(C3OCCO3)s2)[C@@H]1c1cccs1 ZINC000376678732 563451068 /nfs/dbraw/zinc/45/10/68/563451068.db2.gz ISNGORBVTQXFDC-BXUZGUMPSA-N 1 0 379.507 2.673 20 0 GFADRO O=C(N[C@@H]1CCN(c2ccc(Br)cc2)C1)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000426490158 563451950 /nfs/dbraw/zinc/45/19/50/563451950.db2.gz AUHRXFXEQVOIHN-PBHICJAKSA-N 1 0 378.314 2.771 20 0 GFADRO CC(=O)NCCC[NH2+][C@@H]1CCCOc2ccc(I)cc21 ZINC000376728899 563452092 /nfs/dbraw/zinc/45/20/92/563452092.db2.gz MTYUKGDUJUXHPP-CQSZACIVSA-N 1 0 388.249 2.621 20 0 GFADRO C[C@H](CCSc1ccccc1)N1CCC([NH2+][C@H]2CCS(=O)(=O)C2)CC1 ZINC000376798347 563454901 /nfs/dbraw/zinc/45/49/01/563454901.db2.gz GIRHPBYCVSLSFG-AEFFLSMTSA-N 1 0 382.595 2.798 20 0 GFADRO CC(=O)N1CCN(CC[NH2+]Cc2cnc(-c3ccc(Cl)cc3)s2)CC1 ZINC000283804942 563454991 /nfs/dbraw/zinc/45/49/91/563454991.db2.gz CBQNRWDBGYSQMI-UHFFFAOYSA-N 1 0 378.929 2.717 20 0 GFADRO Cn1ncc(Br)c1CNCc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000283821130 563456288 /nfs/dbraw/zinc/45/62/88/563456288.db2.gz CUEISIGJUFALKT-UHFFFAOYSA-N 1 0 393.329 2.945 20 0 GFADRO O=S(=O)(c1cccc(OC(F)(F)F)c1)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000327388347 563457862 /nfs/dbraw/zinc/45/78/62/563457862.db2.gz QWBTXNPKKGQKAR-WFASDCNBSA-N 1 0 378.416 2.738 20 0 GFADRO O=C([C@@H]1CCC[N@@H+]1C1CC1)N1CCN(Cc2ccc(Br)cc2)CC1 ZINC000427056841 563459254 /nfs/dbraw/zinc/45/92/54/563459254.db2.gz KMBTZLBBIXSMEP-SFHVURJKSA-N 1 0 392.341 2.720 20 0 GFADRO Cc1ccc(S(=O)(=O)N2C[C@H](C[NH+](C)C)Oc3ccccc32)c(Cl)n1 ZINC000377024290 563461329 /nfs/dbraw/zinc/46/13/29/563461329.db2.gz GFBXLBRRBATTTK-ZDUSSCGKSA-N 1 0 381.885 2.561 20 0 GFADRO O=C(C[C@H]1CC[NH2+]C1)NC1CCN(Cc2ccc(Br)cc2)CC1 ZINC000427289799 563464548 /nfs/dbraw/zinc/46/45/48/563464548.db2.gz WQBBMZMAKRTDPQ-OAHLLOKOSA-N 1 0 380.330 2.529 20 0 GFADRO Cc1ccc(S(=O)(=O)N2CCC(CC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)s1 ZINC000427277437 563464979 /nfs/dbraw/zinc/46/49/79/563464979.db2.gz RLYLPYMRWAETCS-GJZGRUSLSA-N 1 0 386.583 2.957 20 0 GFADRO CC(C)[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000328789584 563465358 /nfs/dbraw/zinc/46/53/58/563465358.db2.gz KUWPUYUJDIJEGN-CZUORRHYSA-N 1 0 383.945 2.853 20 0 GFADRO COCC[C@H](Cc1cccc(Br)c1)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000427570936 563470167 /nfs/dbraw/zinc/47/01/67/563470167.db2.gz BFCFCVGYBGDXEI-YSVLISHTSA-N 1 0 383.330 2.759 20 0 GFADRO CCc1nc(C(=O)NCC2=CC[NH2+]CC2)nn1-c1c(Cl)cccc1Cl ZINC000427615498 563470430 /nfs/dbraw/zinc/47/04/30/563470430.db2.gz OBYVBLSQBYRBLG-UHFFFAOYSA-N 1 0 380.279 2.786 20 0 GFADRO C[C@H](Oc1ccc(Cl)cc1Br)C(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000427612455 563470943 /nfs/dbraw/zinc/47/09/43/563470943.db2.gz NSNVAZCOHWSHRD-GBIKHYSHSA-N 1 0 375.694 2.984 20 0 GFADRO CCN(CCc1cccs1)C(=O)C(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000284345806 563471330 /nfs/dbraw/zinc/47/13/30/563471330.db2.gz KNGNXYORVLNICF-OAHLLOKOSA-N 1 0 379.551 2.620 20 0 GFADRO C[C@H]1C[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)c2ccsc2S1(=O)=O ZINC000377347083 563471861 /nfs/dbraw/zinc/47/18/61/563471861.db2.gz SCHYKWXRLCDKGF-LRDDRELGSA-N 1 0 378.519 2.847 20 0 GFADRO Cc1ccccc1C[C@@H]([NH2+]C[C@H](O)CS(=O)(=O)c1cccs1)C1CC1 ZINC000284438771 563474356 /nfs/dbraw/zinc/47/43/56/563474356.db2.gz RTYKSQAZYXIBJK-ZWKOTPCHSA-N 1 0 379.547 2.802 20 0 GFADRO CN1CC[NH+](C[C@H]2CCCN(c3ncc(Cl)cc3Br)C2)CC1 ZINC000377466480 563475778 /nfs/dbraw/zinc/47/57/78/563475778.db2.gz ZJZSTKVRAURALL-CYBMUJFWSA-N 1 0 387.753 2.961 20 0 GFADRO COc1ccc(Br)cc1CNC(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000377474452 563477097 /nfs/dbraw/zinc/47/70/97/563477097.db2.gz BLVBJTQJWBLPCC-GJZGRUSLSA-N 1 0 382.302 2.884 20 0 GFADRO Cc1cnc(C(=O)NCc2cn3cc(Br)cc(C)c3n2)c(O)c1 ZINC000427924437 563478632 /nfs/dbraw/zinc/47/86/32/563478632.db2.gz POUODTPZDBGQGB-UHFFFAOYSA-N 1 0 375.226 2.744 20 0 GFADRO CC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCCN(c3ccc(Br)cn3)C2)C1 ZINC000377581027 563479821 /nfs/dbraw/zinc/47/98/21/563479821.db2.gz JVRZXJZOKLTVCJ-CABCVRRESA-N 1 0 395.345 2.519 20 0 GFADRO Brc1cccc(Cc2noc(CN3CC[C@H]4[NH2+]CC[C@@H]4C3)n2)c1 ZINC000428034209 563481078 /nfs/dbraw/zinc/48/10/78/563481078.db2.gz NNTKWKCDJYKMSP-UKRRQHHQSA-N 1 0 377.286 2.607 20 0 GFADRO COc1c(Br)cccc1CN1CCC[C@H](C[NH+]2CCN(C)CC2)C1 ZINC000377633898 563481899 /nfs/dbraw/zinc/48/18/99/563481899.db2.gz YLTMJCVHIRMPQA-MRXNPFEDSA-N 1 0 396.373 2.917 20 0 GFADRO CC(C)C[C@H](CNc1c(F)cc(S(N)(=O)=O)cc1Br)[NH+](C)C ZINC000428112637 563483379 /nfs/dbraw/zinc/48/33/79/563483379.db2.gz ODJUXMZDANWDPO-SNVBAGLBSA-N 1 0 396.326 2.624 20 0 GFADRO O=C(Nc1ccccc1I)N[C@@H]1CCc2[nH]cnc2C1 ZINC000377763951 563485363 /nfs/dbraw/zinc/48/53/63/563485363.db2.gz HDUHVXIXMXQATE-SECBINFHSA-N 1 0 382.205 2.693 20 0 GFADRO CC(C)NC(=O)[C@@H]1CCC[C@H]([NH2+][C@H](C)Cn2cc(Br)ccc2=O)C1 ZINC000428249306 563486437 /nfs/dbraw/zinc/48/64/37/563486437.db2.gz UZGLAHQKWFREBQ-FMKPAKJESA-N 1 0 398.345 2.672 20 0 GFADRO C[N@@H+]1C[C@@H]2CN(S(=O)(=O)c3ccc(Cl)nc3)C[C@H]2[C@H]1c1ccccc1 ZINC000377842410 563488808 /nfs/dbraw/zinc/48/88/08/563488808.db2.gz DCIUBYSOLVVXKF-QGPMSJSTSA-N 1 0 377.897 2.658 20 0 GFADRO O=C(c1cc(-c2ccc(Br)cc2)n[nH]1)N1CC[NH+]2CCC1CC2 ZINC000329891077 563490847 /nfs/dbraw/zinc/49/08/47/563490847.db2.gz HHTKKLIVVGGBIA-UHFFFAOYSA-N 1 0 375.270 2.759 20 0 GFADRO [NH3+]C[C@H]1CCCN(C(=O)c2cc(I)ccc2Cl)C1 ZINC000428519953 563494806 /nfs/dbraw/zinc/49/48/06/563494806.db2.gz WCAYMYFUHNDWTL-SECBINFHSA-N 1 0 378.641 2.756 20 0 GFADRO CS(=O)(=O)c1ccc(C[NH2+]Cc2ccc(-n3cncn3)cc2)cc1Cl ZINC000428549742 563495374 /nfs/dbraw/zinc/49/53/74/563495374.db2.gz UFPLBUZSMQRLSR-UHFFFAOYSA-N 1 0 376.869 2.614 20 0 GFADRO COCc1cnc(C[NH2+]C[C@@H](CO)Cc2ccc(Br)cc2)s1 ZINC000428540052 563495644 /nfs/dbraw/zinc/49/56/44/563495644.db2.gz NNISAFOPVAQAFB-ZDUSSCGKSA-N 1 0 385.327 2.993 20 0 GFADRO CS[C@@H]1CN(S(=O)(=O)c2ccc3nc(C)sc3c2)C[C@H]1[NH+]1CCCC1 ZINC000330181820 563497811 /nfs/dbraw/zinc/49/78/11/563497811.db2.gz GXFNOERKKMGBJO-NVXWUHKLSA-N 1 0 397.591 2.805 20 0 GFADRO COCC[C@]1(C(=O)N[C@H](C)c2ccc(OC)c(Br)c2)CC[NH2+]C1 ZINC000378210187 563499050 /nfs/dbraw/zinc/49/90/50/563499050.db2.gz VRGHPVUUMKHSRE-SJKOYZFVSA-N 1 0 385.302 2.651 20 0 GFADRO CC(C)[NH+](CCCNC(=O)C(=O)Nc1nc(C(F)(F)F)cs1)C(C)C ZINC000285053991 563500950 /nfs/dbraw/zinc/50/09/50/563500950.db2.gz FENZKONTOOCFAG-UHFFFAOYSA-N 1 0 380.436 2.726 20 0 GFADRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2S(=O)(=O)c2csc(-c3ccccc3)n2)C1 ZINC000330329216 563501133 /nfs/dbraw/zinc/50/11/33/563501133.db2.gz WLUAHPUMNPAMDT-HOTGVXAUSA-N 1 0 377.535 2.915 20 0 GFADRO OC[C@@H]1CCC[N@@H+]1C[C@H]1CCCN1Cc1cnc2ccc(Br)cn12 ZINC000378330584 563503110 /nfs/dbraw/zinc/50/31/10/563503110.db2.gz BLXIROYLWXMQDK-CVEARBPZSA-N 1 0 393.329 2.518 20 0 GFADRO Cc1cc(Br)ccc1S(=O)(=O)N1CCC[C@@H]([NH+](C)C)CC1 ZINC000428859225 563503827 /nfs/dbraw/zinc/50/38/27/563503827.db2.gz ZAVMDJMGHACXKG-CQSZACIVSA-N 1 0 375.332 2.862 20 0 GFADRO C[C@H](NC(=O)C1CCN(C(=O)c2ccc(Cl)s2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000428941657 563505007 /nfs/dbraw/zinc/50/50/07/563505007.db2.gz KBYGQWXIXNWSRJ-GXTWGEPZSA-N 1 0 383.945 2.758 20 0 GFADRO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(Cc2c(F)cccc2Br)CC1 ZINC000378386866 563505102 /nfs/dbraw/zinc/50/51/02/563505102.db2.gz WPLFICUGQQKLIL-MRXNPFEDSA-N 1 0 384.293 2.502 20 0 GFADRO CC[N@@H+]1CCCN(C(=O)Nc2cccc(F)c2I)CC1 ZINC000378431719 563506738 /nfs/dbraw/zinc/50/67/38/563506738.db2.gz OMRMQEKYKHVTFL-UHFFFAOYSA-N 1 0 391.228 2.990 20 0 GFADRO C[NH+](C)CC(=O)N1CCN(Cc2cccc3c(Br)cccc23)CC1 ZINC000429046744 563508436 /nfs/dbraw/zinc/50/84/36/563508436.db2.gz ODROWSWNRSOTGO-UHFFFAOYSA-N 1 0 390.325 2.808 20 0 GFADRO CC[C@H]([NH2+]CC1(O)CCS(=O)(=O)CC1)c1cc(F)cc(Br)c1 ZINC000330511529 563509035 /nfs/dbraw/zinc/50/90/35/563509035.db2.gz FERVYVFJFMVUIL-AWEZNQCLSA-N 1 0 394.306 2.569 20 0 GFADRO CN(C[C@@H]1CCC[N@H+](C[C@H](O)c2ccc(Cl)cc2Cl)C1)S(C)(=O)=O ZINC000285222030 563509110 /nfs/dbraw/zinc/50/91/10/563509110.db2.gz ANUIUHHFUCKWLY-LRDDRELGSA-N 1 0 395.352 2.630 20 0 GFADRO CC(C)[C@@H]([NH3+])CNC(=O)c1nn(-c2cccc(Br)c2)c2c1CCC2 ZINC000429150455 563510728 /nfs/dbraw/zinc/51/07/28/563510728.db2.gz OHXVEBDDWVFCKB-HNNXBMFYSA-N 1 0 391.313 2.837 20 0 GFADRO C[C@H]1CN(C(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CCCC2)CC[C@@H]1[NH3+] ZINC000429175840 563510772 /nfs/dbraw/zinc/51/07/72/563510772.db2.gz LJFGIKMQAWFDBD-BBRMVZONSA-N 1 0 384.929 2.622 20 0 GFADRO C[C@H]1CN(C(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CCCC2)CC[C@H]1[NH3+] ZINC000429175843 563511010 /nfs/dbraw/zinc/51/10/10/563511010.db2.gz LJFGIKMQAWFDBD-XJKSGUPXSA-N 1 0 384.929 2.622 20 0 GFADRO Cc1c(C(=O)N2CC[C@H]([NH3+])[C@H](C)C2)cnn1-c1cccc(Br)c1 ZINC000429178641 563511810 /nfs/dbraw/zinc/51/18/10/563511810.db2.gz UPABJKZRYPKGDG-BZNIZROVSA-N 1 0 377.286 2.753 20 0 GFADRO Oc1cccc2c1C[C@H]([NH2+]C[C@H](O)COc1cccc(Br)c1)C2 ZINC000429229031 563512194 /nfs/dbraw/zinc/51/21/94/563512194.db2.gz VMJHANFHNHDIFP-CABCVRRESA-N 1 0 378.266 2.651 20 0 GFADRO [NH3+]C[C@@H]1CC[C@H](NC(=O)c2cc(Cl)ccc2I)C1 ZINC000382444177 563516303 /nfs/dbraw/zinc/51/63/03/563516303.db2.gz RHJGTAPQPFLSLF-SCZZXKLOSA-N 1 0 378.641 2.802 20 0 GFADRO CCN(CC)C(=O)C[C@H](C)[NH2+]C[C@H](CO)Cc1ccccc1Br ZINC000429414061 563516380 /nfs/dbraw/zinc/51/63/80/563516380.db2.gz XEQCZGCFSNTSSV-LSDHHAIUSA-N 1 0 385.346 2.837 20 0 GFADRO C[C@@H]([NH3+])[C@@H](C)NC(=O)c1cc(Br)ccc1I ZINC000381591392 563516387 /nfs/dbraw/zinc/51/63/87/563516387.db2.gz LNBDLPUPKHWHHS-RNFRBKRXSA-N 1 0 397.054 2.519 20 0 GFADRO C[C@H]1CC[C@H]([N@H+](C)CC(=O)Nc2ccc(Cl)c(S(=O)(=O)N(C)C)c2)C1 ZINC000429571397 563519079 /nfs/dbraw/zinc/51/90/79/563519079.db2.gz DCCDJUUGNRXRRZ-JSGCOSHPSA-N 1 0 387.933 2.649 20 0 GFADRO [NH3+]CC1(C(=O)NCc2nnc3c(Cl)cc(C(F)(F)F)cn23)CCCC1 ZINC000429676017 563521098 /nfs/dbraw/zinc/52/10/98/563521098.db2.gz OZWVUIOFUWXUIH-UHFFFAOYSA-N 1 0 375.782 2.537 20 0 GFADRO C[C@H](Cc1ccc(Br)cc1)[NH2+]Cc1ccc(S(N)(=O)=O)cc1 ZINC000389466275 563521781 /nfs/dbraw/zinc/52/17/81/563521781.db2.gz LWMYXLADSBVYKF-GFCCVEGCSA-N 1 0 383.311 2.817 20 0 GFADRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)c1ccc(Br)cc1Br ZINC000389795162 563521875 /nfs/dbraw/zinc/52/18/75/563521875.db2.gz SWAVSDXIISFGMT-PELKAZGASA-N 1 0 376.092 2.939 20 0 GFADRO CCOc1ccc(Br)cc1S(=O)(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000389716910 563521964 /nfs/dbraw/zinc/52/19/64/563521964.db2.gz JJACJOQYIVAFIW-ZDUSSCGKSA-N 1 0 391.331 2.644 20 0 GFADRO C[C@H](NC(=O)c1ccc(Br)cc1)C(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000330900021 563525955 /nfs/dbraw/zinc/52/59/55/563525955.db2.gz JPRUFJVEBDKJAY-XEZPLFJOSA-N 1 0 396.329 2.509 20 0 GFADRO O=S(=O)(C1CC1)N1CCC[C@@H]([NH2+]Cc2ccc(Br)s2)C1 ZINC000285562093 563526648 /nfs/dbraw/zinc/52/66/48/563526648.db2.gz SPUDQIMJDMAVKX-SNVBAGLBSA-N 1 0 379.345 2.557 20 0 GFADRO Cc1cc(Cc2cnc(NC(=O)COC3C[NH2+]C3)s2)ccc1Br ZINC000429906082 563527824 /nfs/dbraw/zinc/52/78/24/563527824.db2.gz HJLFDXMTGOPSGI-UHFFFAOYSA-N 1 0 396.310 2.732 20 0 GFADRO Cc1cc(Br)c(C(=O)NC[C@H]2C[N@@H+]3CCN2CCC3)cc1Cl ZINC000394750287 563530118 /nfs/dbraw/zinc/53/01/18/563530118.db2.gz NFRUNDDYFCPNLC-LBPRGKRZSA-N 1 0 386.721 2.531 20 0 GFADRO O=C(NCC1(O)CC[NH+](Cc2ccccc2)CC1)c1ccc(Br)o1 ZINC000397554095 563531800 /nfs/dbraw/zinc/53/18/00/563531800.db2.gz IJYUHGBISDYSDS-UHFFFAOYSA-N 1 0 393.281 2.799 20 0 GFADRO OC1(CNc2ccncc2Br)CC[NH+](Cc2ccccc2)CC1 ZINC000397542749 563531852 /nfs/dbraw/zinc/53/18/52/563531852.db2.gz BXMXDARPNRYUNW-UHFFFAOYSA-N 1 0 376.298 2.705 20 0 GFADRO C[C@H](C(=O)NC[C@H](CO)Cc1ccccc1Br)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000430144086 563535915 /nfs/dbraw/zinc/53/59/15/563535915.db2.gz DHFHSNWUURNLLQ-QKPAOTATSA-N 1 0 397.357 2.978 20 0 GFADRO C[C@H](C(=O)NC[C@@H](CO)Cc1ccccc1Br)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000430144088 563535948 /nfs/dbraw/zinc/53/59/48/563535948.db2.gz DHFHSNWUURNLLQ-QXSJWSMHSA-N 1 0 397.357 2.978 20 0 GFADRO O=C(Cn1cc([C@@H]2CCC[NH2+]C2)nn1)Nc1ccc(Br)cc1Cl ZINC000404821267 563536976 /nfs/dbraw/zinc/53/69/76/563536976.db2.gz DNOISJWVFIKZNL-SNVBAGLBSA-N 1 0 398.692 2.800 20 0 GFADRO C[C@@H]1C[C@H](N2CCOCC2)C[N@@H+]1CCC(=O)Nc1ccc(Br)cc1 ZINC000285813030 563538263 /nfs/dbraw/zinc/53/82/63/563538263.db2.gz GLWYIJFQMKBHAX-PBHICJAKSA-N 1 0 396.329 2.573 20 0 GFADRO C[C@@H]1C[C@@H](O)C[C@H](C)[N@H+]1C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000331181604 563539118 /nfs/dbraw/zinc/53/91/18/563539118.db2.gz LURXVRNVHASMHX-BAESOJJISA-N 1 0 376.266 2.562 20 0 GFADRO COc1cc(Br)ccc1CNC(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000430287337 563540324 /nfs/dbraw/zinc/54/03/24/563540324.db2.gz XFAUKBFXFYCVQJ-HNNXBMFYSA-N 1 0 382.302 2.836 20 0 GFADRO COCC[C@]1(C(=O)N[C@@H](C)CCc2ccc(Br)cc2)CC[NH2+]C1 ZINC000430304984 563541134 /nfs/dbraw/zinc/54/11/34/563541134.db2.gz WGXPHTGPFSCNRU-KBXCAEBGSA-N 1 0 383.330 2.903 20 0 GFADRO Cc1[nH]c(=O)c(Br)cc1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000285909281 563541837 /nfs/dbraw/zinc/54/18/37/563541837.db2.gz BTSCNLWDHOODRD-OLZOCXBDSA-N 1 0 382.302 2.945 20 0 GFADRO C[C@@H]1CCCN(CC(=O)Nc2c(F)cc(F)cc2Br)[C@H]1C[NH3+] ZINC000430556616 563545114 /nfs/dbraw/zinc/54/51/14/563545114.db2.gz LCAKLOKRDKWMGY-RNCFNFMXSA-N 1 0 376.245 2.725 20 0 GFADRO Cc1cc(I)ccc1NC(=O)CN[C@](C)(C[NH3+])C(C)C ZINC000430556140 563545314 /nfs/dbraw/zinc/54/53/14/563545314.db2.gz QEARBNKJBHCTAJ-OAHLLOKOSA-N 1 0 389.281 2.501 20 0 GFADRO COc1ccc(CN2CCC(OCCC[NH3+])CC2)c(Br)c1OC ZINC000430548144 563545407 /nfs/dbraw/zinc/54/54/07/563545407.db2.gz BJCINRCEZBGEST-UHFFFAOYSA-N 1 0 387.318 2.796 20 0 GFADRO C[C@H](C(=O)Nc1ccc(I)cc1)N(C)CC(C)(C)C[NH3+] ZINC000430584305 563546195 /nfs/dbraw/zinc/54/61/95/563546195.db2.gz OYKJBDQRIHCRHU-LLVKDONJSA-N 1 0 389.281 2.535 20 0 GFADRO C[C@@H]([NH2+]CCCOc1ncc(C(F)(F)F)cc1Cl)c1ccc(=O)[nH]n1 ZINC000286030966 563546322 /nfs/dbraw/zinc/54/63/22/563546322.db2.gz JFRLZQTXVVDHMF-SECBINFHSA-N 1 0 376.766 2.957 20 0 GFADRO [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)NCc1nc2cc(Br)cnc2[nH]1 ZINC000430796294 563548905 /nfs/dbraw/zinc/54/89/05/563548905.db2.gz YGKHFUPHUOXDKA-NWDGAFQWSA-N 1 0 380.290 2.634 20 0 GFADRO Cc1cc(NC(=O)CN2C[C@@]3(CCOC3)OC(C)(C)C2)ccc1Br ZINC000408350258 563551999 /nfs/dbraw/zinc/55/19/99/563551999.db2.gz YRUANXNGUKZBKH-GOSISDBHSA-N 1 0 397.313 2.966 20 0 GFADRO COc1cc(C(=O)N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)cc(Br)c1OC ZINC000331532548 563552399 /nfs/dbraw/zinc/55/23/99/563552399.db2.gz PMVHPPOJHQXFSD-JQWIXIFHSA-N 1 0 383.286 2.821 20 0 GFADRO C[C@H](c1ccc(Cl)cc1)N1CC[NH+](C[C@H](O)COCC(F)(F)F)CC1 ZINC000431124885 563554314 /nfs/dbraw/zinc/55/43/14/563554314.db2.gz LVCQZTVYHVMLBJ-CJNGLKHVSA-N 1 0 380.838 2.958 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(S(=O)(=O)c2cc(Cl)cnc2N)C1 ZINC000408436827 563555638 /nfs/dbraw/zinc/55/56/38/563555638.db2.gz KCVAAVCWWHHMTI-KGLIPLIRSA-N 1 0 386.949 2.592 20 0 GFADRO C[NH+](C)CCCNC(=O)c1ccc2cc(I)ccc2n1 ZINC000431350501 563559526 /nfs/dbraw/zinc/55/95/26/563559526.db2.gz OGZJHEUERXDHOG-UHFFFAOYSA-N 1 0 383.233 2.521 20 0 GFADRO O=S(=O)(CCC[N@H+](C[C@H]1CCCO1)[C@H]1CCSC1)c1ccc(F)cc1 ZINC000409449605 563560841 /nfs/dbraw/zinc/56/08/41/563560841.db2.gz VGSGYMXIDQMYMV-DLBZAZTESA-N 1 0 387.542 2.976 20 0 GFADRO COC(=O)[C@]1(C(F)(F)F)CC[N@H+](C[C@@H](O)COc2ccc(Cl)cc2)C1 ZINC000286486275 563562249 /nfs/dbraw/zinc/56/22/49/563562249.db2.gz LPBKGWFZZGTVAX-DOMZBBRYSA-N 1 0 381.778 2.507 20 0 GFADRO C[NH+](C)[C@@]1(CNC(=O)N[C@@H]2CCN(c3cccc(Cl)c3)C2)CCSC1 ZINC000431684263 563566500 /nfs/dbraw/zinc/56/65/00/563566500.db2.gz FCDNSJXBZCFPPZ-CRAIPNDOSA-N 1 0 382.961 2.655 20 0 GFADRO COCCC[N@H+](C)CCNS(=O)(=O)c1csc2ccc(Cl)cc21 ZINC000431829645 563569516 /nfs/dbraw/zinc/56/95/16/563569516.db2.gz XZGJJTSHYWHUFW-UHFFFAOYSA-N 1 0 376.931 2.801 20 0 GFADRO C[NH+]1CCC(O)(CNC(=O)c2cccn2-c2c(Cl)cccc2Cl)CC1 ZINC000409755226 563570527 /nfs/dbraw/zinc/57/05/27/563570527.db2.gz QAZPQWMPFXBVEG-UHFFFAOYSA-N 1 0 382.291 2.971 20 0 GFADRO Cc1c([C@H]2OCC[C@@H]2[NH2+]CCOc2ccccc2Br)cnn1C ZINC000431963532 563572361 /nfs/dbraw/zinc/57/23/61/563572361.db2.gz KTPZDXBGVVQGMN-DOTOQJQBSA-N 1 0 380.286 2.990 20 0 GFADRO Cc1cc(NC(=O)C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)cc(C)c1Br ZINC000332043144 563572523 /nfs/dbraw/zinc/57/25/23/563572523.db2.gz LDLOXGLLNKNWHA-ZFWWWQNUSA-N 1 0 394.313 2.557 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)cc1Br ZINC000332048649 563573654 /nfs/dbraw/zinc/57/36/54/563573654.db2.gz MONWTQLUKWUVNJ-BBRMVZONSA-N 1 0 394.313 2.557 20 0 GFADRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1S(=O)(=O)c1ccc2nc(Cl)cnc2c1 ZINC000286794520 563574682 /nfs/dbraw/zinc/57/46/82/563574682.db2.gz SKXBVVITCQHIEB-WBMJQRKESA-N 1 0 380.901 2.531 20 0 GFADRO CN(CCCn1ccnc1)C(=O)CCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000286809074 563575525 /nfs/dbraw/zinc/57/55/25/563575525.db2.gz RNZBSPSGYWGJKO-UHFFFAOYSA-N 1 0 383.901 2.639 20 0 GFADRO CCC[N@H+](CC)CCNS(=O)(=O)Cc1cc(OC)ccc1Br ZINC000410120262 563582449 /nfs/dbraw/zinc/58/24/49/563582449.db2.gz KWWIZDDEZULKGJ-UHFFFAOYSA-N 1 0 393.347 2.609 20 0 GFADRO O=S1(=O)CCC[C@@H](C[NH2+]C2CCN(Cc3c(F)cccc3Cl)CC2)C1 ZINC000286973863 563582512 /nfs/dbraw/zinc/58/25/12/563582512.db2.gz IRABFXHULWLKAN-AWEZNQCLSA-N 1 0 388.936 2.858 20 0 GFADRO CC[C@H]([NH2+]C1CC(c2cccc(Br)c2)C1)C(=O)N1CCOCC1 ZINC000432406866 563583715 /nfs/dbraw/zinc/58/37/15/563583715.db2.gz JCGRRAADQAEFOZ-PREGVCBESA-N 1 0 381.314 2.922 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)Nc3ccccc3I)C[C@H]21 ZINC000332221893 563584548 /nfs/dbraw/zinc/58/45/48/563584548.db2.gz MBJSRADISSRKTI-NQBHXWOUSA-N 1 0 385.249 2.882 20 0 GFADRO C[C@H](Oc1ccc(Cl)cc1Br)C(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000432528655 563586179 /nfs/dbraw/zinc/58/61/79/563586179.db2.gz ALIBSUJMRXAAEM-OUJBWJOFSA-N 1 0 375.694 2.984 20 0 GFADRO O=S(=O)(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc(OCC(F)(F)F)cc1 ZINC000332254464 563587306 /nfs/dbraw/zinc/58/73/06/563587306.db2.gz MMHPBDIRSBLBKY-HUUCEWRRSA-N 1 0 378.416 2.533 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000332256515 563587948 /nfs/dbraw/zinc/58/79/48/563587948.db2.gz DNNGZBYQONNBCO-OAHLLOKOSA-N 1 0 394.313 2.783 20 0 GFADRO C[N@H+](C[C@H](O)COc1ccc(C(F)(F)F)cc1)C[C@@](C)(O)C(F)(F)F ZINC000410392145 563589051 /nfs/dbraw/zinc/58/90/51/563589051.db2.gz JTLSNYIXMSIQRH-WCQYABFASA-N 1 0 375.309 2.690 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc1Br ZINC000332274143 563589580 /nfs/dbraw/zinc/58/95/80/563589580.db2.gz BAPOFUGBYCRFLN-KCQAQPDRSA-N 1 0 394.313 2.590 20 0 GFADRO NC(=O)[C@H]([NH2+][C@H]1CCO[C@H](C(F)(F)F)C1)c1cccc(Br)c1 ZINC000287142637 563589862 /nfs/dbraw/zinc/58/98/62/563589862.db2.gz SIHYMTONVURZIF-SDDRHHMPSA-N 1 0 381.192 2.675 20 0 GFADRO C[C@@H]([NH2+]CCCn1cc(Br)cn1)c1cccc(-n2ccnn2)c1 ZINC000287170435 563590135 /nfs/dbraw/zinc/59/01/35/563590135.db2.gz CBDGRXUVQIWMQY-CYBMUJFWSA-N 1 0 375.274 2.967 20 0 GFADRO O=C(NC1CC1)[C@H]([NH2+]CCCn1cc(Br)cn1)c1ccc(F)cc1 ZINC000287161850 563590583 /nfs/dbraw/zinc/59/05/83/563590583.db2.gz IXXGFRXGINKCIA-MRXNPFEDSA-N 1 0 395.276 2.784 20 0 GFADRO COC(=O)COc1ccccc1[C@@H](C)[NH2+]CCCn1cc(Br)cn1 ZINC000287212974 563591874 /nfs/dbraw/zinc/59/18/74/563591874.db2.gz FLHUZCAURGLVQD-CYBMUJFWSA-N 1 0 396.285 2.938 20 0 GFADRO Cc1cc2cc(C(=O)NC[C@](C)(O)CC[NH+](C)C)oc2c(Br)c1 ZINC000432782135 563592972 /nfs/dbraw/zinc/59/29/72/563592972.db2.gz VOPPJIYNAXYGFL-QGZVFWFLSA-N 1 0 383.286 2.936 20 0 GFADRO C[C@@H]1C[N@H+](CCCNc2cc(Br)cc(F)c2C(N)=O)CCCO1 ZINC000432864896 563595612 /nfs/dbraw/zinc/59/56/12/563595612.db2.gz IXTRVGNZYRKWML-LLVKDONJSA-N 1 0 388.281 2.600 20 0 GFADRO CNC(=O)c1cccc(NC(=O)NC[C@H](C)C[NH+]2CCCC2)c1Br ZINC000287325076 563596712 /nfs/dbraw/zinc/59/67/12/563596712.db2.gz HQMIWTSJFIKRIY-LBPRGKRZSA-N 1 0 397.317 2.662 20 0 GFADRO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)N1CC[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000410972599 563600752 /nfs/dbraw/zinc/60/07/52/563600752.db2.gz HPGCFZLUGRQJJY-XJKSGUPXSA-N 1 0 384.307 2.504 20 0 GFADRO COC(=O)c1coc(C[NH2+]C[C@H](CO)Cc2cccc(Br)c2)c1 ZINC000433047103 563601388 /nfs/dbraw/zinc/60/13/88/563601388.db2.gz JLYMQRPMYOECAH-CYBMUJFWSA-N 1 0 382.254 2.770 20 0 GFADRO Cc1ccc(-c2csc(NC(=O)C(=O)NCC[NH+]3CCCCC3)n2)s1 ZINC000287440107 563601892 /nfs/dbraw/zinc/60/18/92/563601892.db2.gz MQSHTINDCMBZBT-UHFFFAOYSA-N 1 0 378.523 2.721 20 0 GFADRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)N1CCc2c(Cl)cc(Cl)cc2[C@@H]1C ZINC000332512985 563602352 /nfs/dbraw/zinc/60/23/52/563602352.db2.gz VONAMMMPOYLNMX-GDLVEWKHSA-N 1 0 384.307 2.553 20 0 GFADRO CC(C)[C@H](C[NH3+])C(=O)NCC1(c2cccc(Br)c2)CCOCC1 ZINC000433130511 563604266 /nfs/dbraw/zinc/60/42/66/563604266.db2.gz RWYICJIWPUARER-INIZCTEOSA-N 1 0 383.330 2.844 20 0 GFADRO CC(C)[C@H](C[NH3+])C(=O)NCCSCCOc1cccc(Br)c1 ZINC000433152175 563604884 /nfs/dbraw/zinc/60/48/84/563604884.db2.gz QFFLTJHUJBZHJO-HNNXBMFYSA-N 1 0 389.359 2.908 20 0 GFADRO COC[C@H]([NH2+]Cc1cc(Br)c2c(c1)OCCCO2)[C@H]1CCCO1 ZINC000433198128 563605389 /nfs/dbraw/zinc/60/53/89/563605389.db2.gz DPKFUJYNTOXNHX-LSDHHAIUSA-N 1 0 386.286 2.894 20 0 GFADRO COC[C@@H]([NH2+]Cc1cc(Br)c2c(c1)OCCCO2)[C@H]1CCCO1 ZINC000433198126 563605459 /nfs/dbraw/zinc/60/54/59/563605459.db2.gz DPKFUJYNTOXNHX-HUUCEWRRSA-N 1 0 386.286 2.894 20 0 GFADRO C[C@@H]1c2cc(Cl)c(Cl)cc2CCN1C(=O)C(=O)N1CCC(C[NH3+])CC1 ZINC000332587842 563605535 /nfs/dbraw/zinc/60/55/35/563605535.db2.gz IMFWKUUYVDXZNX-LLVKDONJSA-N 1 0 384.307 2.636 20 0 GFADRO Cc1cc(NC(=O)C(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)c(F)cc1Br ZINC000332587995 563605859 /nfs/dbraw/zinc/60/58/59/563605859.db2.gz KWSLZPREYVYEQZ-NWDGAFQWSA-N 1 0 398.276 2.530 20 0 GFADRO Cc1cc(Br)ccc1CC(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000332585609 563605929 /nfs/dbraw/zinc/60/59/29/563605929.db2.gz BVBBDNGPHUZUBF-QGZVFWFLSA-N 1 0 383.330 2.509 20 0 GFADRO CN(C[C@H]1CCC[N@H+](C)C1)[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000433237463 563607362 /nfs/dbraw/zinc/60/73/62/563607362.db2.gz XCNBQFSZPBLTBI-YOEHRIQHSA-N 1 0 380.330 2.828 20 0 GFADRO COCCCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](Cc2ccc(Br)cc2)C1 ZINC000433317157 563609202 /nfs/dbraw/zinc/60/92/02/563609202.db2.gz KLAZSTFUEMYGOY-ZBFHGGJFSA-N 1 0 383.330 2.855 20 0 GFADRO COC[C@H](C)OC[C@H](O)C[N@@H+]1CC[C@@H](Cc2ccc(Br)cc2)C1 ZINC000433296614 563609280 /nfs/dbraw/zinc/60/92/80/563609280.db2.gz IUXXNUOYVHIDFL-QILLFSRXSA-N 1 0 386.330 2.726 20 0 GFADRO C[C@H]1C[C@@H](NC(=O)c2cnn(-c3cccc(Br)c3)c2)CC[N@@H+]1C ZINC000332654088 563610368 /nfs/dbraw/zinc/61/03/68/563610368.db2.gz JBAPGSBNYRBQBY-WFASDCNBSA-N 1 0 377.286 2.847 20 0 GFADRO Cc1c(C(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)nnn1-c1cccc(Br)c1 ZINC000332677687 563611083 /nfs/dbraw/zinc/61/10/83/563611083.db2.gz RQOQDAZEZTWYBQ-SMDDNHRTSA-N 1 0 392.301 2.551 20 0 GFADRO C[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)c1ncn([C@H]2CCC[NH2+]C2)n1 ZINC000433401451 563612168 /nfs/dbraw/zinc/61/21/68/563612168.db2.gz SGEDIJPTHIZIPC-RISCZKNCSA-N 1 0 382.295 2.870 20 0 GFADRO C[NH+]1CCC(C)(CNC(=O)C(C)(C)S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000287665867 563612842 /nfs/dbraw/zinc/61/28/42/563612842.db2.gz BCEACYAPYXABAV-UHFFFAOYSA-N 1 0 386.945 2.740 20 0 GFADRO C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N1CC[C@H]2CC[N@H+](C)C[C@H]21 ZINC000332823383 563614754 /nfs/dbraw/zinc/61/47/54/563614754.db2.gz FNICYQXEEAFYEA-YWPYICTPSA-N 1 0 384.307 2.664 20 0 GFADRO C[C@@H]1CN(c2ncnc(N)c2Cl)CCN1C(=O)Cc1cccc(Cl)c1 ZINC000433761162 563618994 /nfs/dbraw/zinc/61/89/94/563618994.db2.gz YKSHZRSCKVYNFS-LLVKDONJSA-N 1 0 380.279 2.645 20 0 GFADRO Cc1cc(Br)c(S(=O)(=O)N[C@H]2C[C@H](C)n3ccnc32)s1 ZINC000333128382 563621525 /nfs/dbraw/zinc/62/15/25/563621525.db2.gz WLLIJZZKFQZYSS-XVKPBYJWSA-N 1 0 376.301 3.000 20 0 GFADRO NC(=O)C[C@@H]([NH2+]Cc1cccc(Br)c1Cl)C1CCOCC1 ZINC000411513088 563621702 /nfs/dbraw/zinc/62/17/02/563621702.db2.gz CNARJLLZIFOBGK-CYBMUJFWSA-N 1 0 375.694 2.863 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]1C1CCN(C(=O)Nc2cc(Br)ccc2F)CC1 ZINC000333142706 563621891 /nfs/dbraw/zinc/62/18/91/563621891.db2.gz LFSGKDHIDSOCFQ-HIFRSBDPSA-N 1 0 386.265 2.948 20 0 GFADRO COc1cc(C)c(S(=O)(=O)N2C[C@@H]([NH+](C)C)[C@@H](SC)C2)cc1C(C)C ZINC000433874493 563621951 /nfs/dbraw/zinc/62/19/51/563621951.db2.gz WPKQZBBRJSJLNQ-WBVHZDCISA-N 1 0 386.583 2.793 20 0 GFADRO C[C@H](NS(=O)(=O)c1ccc(C[NH+](C)C)cc1)c1ccc([S@@](C)=O)cc1 ZINC000433866031 563621957 /nfs/dbraw/zinc/62/19/57/563621957.db2.gz CSIOMYBPQYGQQT-LFPIHBKWSA-N 1 0 380.535 2.525 20 0 GFADRO O=C(Nc1cc(Br)ccc1-n1cccn1)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000333171594 563622823 /nfs/dbraw/zinc/62/28/23/563622823.db2.gz NVPLGLSHYLXCHD-QWHCGFSZSA-N 1 0 390.285 2.708 20 0 GFADRO O=C(C[NH2+][C@@H](c1cc(F)cc(Br)c1)C1CC1)NC[C@@H]1CCCO1 ZINC000411559068 563623768 /nfs/dbraw/zinc/62/37/68/563623768.db2.gz NCGFTLXSBXIKOJ-DOTOQJQBSA-N 1 0 385.277 2.924 20 0 GFADRO COc1cc(Br)c(NC(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1OC ZINC000333195754 563623884 /nfs/dbraw/zinc/62/38/84/563623884.db2.gz WDOIVWGQXNVHRI-WDEREUQCSA-N 1 0 384.274 2.540 20 0 GFADRO CC(C)N1C(=O)C[C@H]([NH2+]C[C@H](C)S(C)(=O)=O)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000411638230 563627066 /nfs/dbraw/zinc/62/70/66/563627066.db2.gz ZSEMZGWLLRKAGO-KCTSRDHCSA-N 1 0 390.908 2.552 20 0 GFADRO O=C(Nc1ccc2nccnc2c1Br)N1CCC2(CC[NH2+]C2)CC1 ZINC000333304400 563627430 /nfs/dbraw/zinc/62/74/30/563627430.db2.gz KSBBWBZVDUQUTP-UHFFFAOYSA-N 1 0 390.285 3.000 20 0 GFADRO [NH3+][C@H]1CCO[C@H](C2CCN(C(=O)c3ccc(F)c(Br)c3)CC2)C1 ZINC000333312342 563628109 /nfs/dbraw/zinc/62/81/09/563628109.db2.gz RZUBYRMPHAWKBL-BBRMVZONSA-N 1 0 385.277 2.947 20 0 GFADRO COCC[N@H+](CCC(=O)Nc1cccc(Br)c1)[C@H]1CCO[C@H]1C ZINC000411655652 563628257 /nfs/dbraw/zinc/62/82/57/563628257.db2.gz LVNHQZMRMHNAPM-BBRMVZONSA-N 1 0 385.302 2.904 20 0 GFADRO O=C(c1cc(F)cc(Br)c1)N1CCC(n2ncc3c2C[NH2+]C3)CC1 ZINC000333357769 563628743 /nfs/dbraw/zinc/62/87/43/563628743.db2.gz CJTDHTRMBDQTDZ-UHFFFAOYSA-N 1 0 393.260 2.865 20 0 GFADRO O=C(NCc1ccc(O)c(Br)c1)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000333371029 563629249 /nfs/dbraw/zinc/62/92/49/563629249.db2.gz MLQNEAWHEONTHH-KGLIPLIRSA-N 1 0 382.302 2.686 20 0 GFADRO Cc1ccc(Br)c(NC(=O)C(=O)NCC[C@H]2CCC[N@@H+](C)C2)c1 ZINC000411678479 563629661 /nfs/dbraw/zinc/62/96/61/563629661.db2.gz VDGDGTMLYIPDOR-CYBMUJFWSA-N 1 0 382.302 2.544 20 0 GFADRO Cc1cc(Cl)cnc1NC(=O)C(=O)N(CC[NH+](C)C)Cc1ccsc1 ZINC000411700939 563630352 /nfs/dbraw/zinc/63/03/52/563630352.db2.gz YOAAMMYTPNOGMS-UHFFFAOYSA-N 1 0 380.901 2.634 20 0 GFADRO CCc1nc(C)c(NC(=O)C(=O)N(CC[NH+](C)C)Cc2ccsc2)s1 ZINC000411691176 563630409 /nfs/dbraw/zinc/63/04/09/563630409.db2.gz HDLZBWQGGSOACX-UHFFFAOYSA-N 1 0 380.539 2.604 20 0 GFADRO CC(C)N(C)C(=O)C[NH2+][C@@H](C)c1ccc(Br)cc1OCCCO ZINC000411743253 563632503 /nfs/dbraw/zinc/63/25/03/563632503.db2.gz GYNQSXYHGHAMRR-ZDUSSCGKSA-N 1 0 387.318 2.728 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCCCNC1=O)c1ccc(Br)cc1OCCCO ZINC000411747226 563632741 /nfs/dbraw/zinc/63/27/41/563632741.db2.gz VPUBVUSBHUQWHJ-SWLSCSKDSA-N 1 0 385.302 2.530 20 0 GFADRO CCOC(=O)CC1([NH2+]CC(=O)Nc2ccc(Br)cn2)CCCC1 ZINC000434619104 563633235 /nfs/dbraw/zinc/63/32/35/563633235.db2.gz QOPLKJPVUWVKCH-UHFFFAOYSA-N 1 0 384.274 2.638 20 0 GFADRO Cc1cc(C(=O)N[C@@H]2CCC[NH2+][C@@H]2C)nn1-c1ccc(Br)cc1 ZINC000434703824 563635582 /nfs/dbraw/zinc/63/55/82/563635582.db2.gz BOIGRZYOGGLWIL-IUODEOHRSA-N 1 0 377.286 2.814 20 0 GFADRO C[N@H+](CCN1CCOC(C)(C)C1)C[C@H](O)COc1c(Cl)cccc1Cl ZINC000434699216 563635670 /nfs/dbraw/zinc/63/56/70/563635670.db2.gz ZSZOHQXWFKDPDC-AWEZNQCLSA-N 1 0 391.339 2.776 20 0 GFADRO CC[N@@H+]1CCN(C(=O)Cc2csc(NC(=O)c3cccs3)n2)[C@@H](C)C1 ZINC000288314327 563637648 /nfs/dbraw/zinc/63/76/48/563637648.db2.gz HQZOZPNSAUQOKS-LBPRGKRZSA-N 1 0 378.523 2.552 20 0 GFADRO [NH3+][C@@H]1CCO[C@H](C2CCN(S(=O)(=O)c3cc(Cl)cc(Cl)c3)CC2)C1 ZINC000333653931 563638062 /nfs/dbraw/zinc/63/80/62/563638062.db2.gz KHDFOVRXKCCTIB-ZBFHGGJFSA-N 1 0 393.336 2.900 20 0 GFADRO COC[C@H]([NH2+]CC(=O)N(C)Cc1cc(Cl)cc(Cl)c1)[C@H]1CCCO1 ZINC000434782472 563638462 /nfs/dbraw/zinc/63/84/62/563638462.db2.gz DBGQAAGRLCAOPI-JKSUJKDBSA-N 1 0 375.296 2.735 20 0 GFADRO O=C(N[C@H](c1cncc(Br)c1)C1CC1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000333677536 563639420 /nfs/dbraw/zinc/63/94/20/563639420.db2.gz ZDAAOGYDHKBLSV-WQVCFCJDSA-N 1 0 379.302 2.689 20 0 GFADRO COC[C@@H]1C[C@H](O)C[N@@H+]1[C@H](C)C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl ZINC000411904872 563640525 /nfs/dbraw/zinc/64/05/25/563640525.db2.gz AQDHELJIKCUJPU-XCCSTKFXSA-N 1 0 375.296 2.641 20 0 GFADRO Nc1c(Br)cc(Br)cc1C[NH2+]C[C@@H]1CCCC(=O)N1 ZINC000435023970 563641091 /nfs/dbraw/zinc/64/10/91/563641091.db2.gz PXWIZVPMFKYQRH-JTQLQIEISA-N 1 0 391.107 2.552 20 0 GFADRO O[C@H](COc1ccc(Br)cc1)C[NH+]1CCC(c2c[nH]cn2)CC1 ZINC000434997702 563641431 /nfs/dbraw/zinc/64/14/31/563641431.db2.gz WNOFWIGOMNDJQE-HNNXBMFYSA-N 1 0 380.286 2.792 20 0 GFADRO CN(C)C(=O)[C@@H]1CC[N@H+](Cc2cc3c(cc2Br)OCCCO3)C1 ZINC000411936296 563641779 /nfs/dbraw/zinc/64/17/79/563641779.db2.gz FLMICNHGPPNRLE-GFCCVEGCSA-N 1 0 383.286 2.521 20 0 GFADRO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000333785361 563641892 /nfs/dbraw/zinc/64/18/92/563641892.db2.gz LPVOFGWNCHTGMT-VQISRLSMSA-N 1 0 385.295 2.538 20 0 GFADRO O=C(CC[N@@H+]1CC[C@@H](c2ccc(Cl)cc2)C1)NC(=O)NCC(F)(F)F ZINC000435051212 563642036 /nfs/dbraw/zinc/64/20/36/563642036.db2.gz VXMJLQHZYHCDSM-GFCCVEGCSA-N 1 0 377.794 2.908 20 0 GFADRO C[C@@H]1Cc2cc(S(=O)(=O)N3CCCC[C@H]3[C@@H]3CC[NH2+]C3)cc(Cl)c2O1 ZINC000333813589 563642515 /nfs/dbraw/zinc/64/25/15/563642515.db2.gz GBWGFGNECKGAQF-XNJGSVPQSA-N 1 0 384.929 2.816 20 0 GFADRO CC1CC[NH+](CCCNS(=O)(=O)c2cc(F)ccc2Br)CC1 ZINC000435143056 563642869 /nfs/dbraw/zinc/64/28/69/563642869.db2.gz LPOLCTBWXCGYPV-UHFFFAOYSA-N 1 0 393.322 2.989 20 0 GFADRO C[C@H]1CCCCN1S(=O)(=O)N(Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000333853443 563643739 /nfs/dbraw/zinc/64/37/39/563643739.db2.gz OBTOZLPTTSTZOM-DOTOQJQBSA-N 1 0 383.583 2.811 20 0 GFADRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)Nc1cc(Br)cn(C)c1=O ZINC000435194110 563644480 /nfs/dbraw/zinc/64/44/80/563644480.db2.gz ZEKIEHKITWSWDO-TXEJJXNPSA-N 1 0 385.306 2.532 20 0 GFADRO COC1([C@H](C)[NH2+]CCS(=O)(=O)c2cccc(Br)c2)CCC1 ZINC000412018859 563644708 /nfs/dbraw/zinc/64/47/08/563644708.db2.gz CTNDRTNVDRDSOX-LBPRGKRZSA-N 1 0 376.316 2.770 20 0 GFADRO COc1ccc([C@H](C)NC(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)cc1Br ZINC000333926233 563645784 /nfs/dbraw/zinc/64/57/84/563645784.db2.gz VGRCZDOYTBAYAQ-UBHSHLNASA-N 1 0 382.302 2.770 20 0 GFADRO CCOc1ccc(S(=O)(=O)N2CCC[C@H]2C[NH+](C)C)cc1Br ZINC000435230127 563646098 /nfs/dbraw/zinc/64/60/98/563646098.db2.gz NUTGKAMQRKOATE-LBPRGKRZSA-N 1 0 391.331 2.563 20 0 GFADRO COC(=O)[C@H]1CSCC[N@H+](CCC(=O)Nc2cc(Cl)ccc2OC)C1 ZINC000412092387 563647704 /nfs/dbraw/zinc/64/77/04/563647704.db2.gz ZOCWCIKDGIVDLX-GFCCVEGCSA-N 1 0 386.901 2.515 20 0 GFADRO CNc1cc(I)ccc1C(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000412162430 563649367 /nfs/dbraw/zinc/64/93/67/563649367.db2.gz BDQMLGPWQWYPNC-PWSUYJOCSA-N 1 0 399.276 2.688 20 0 GFADRO O=S(=O)(NCCCC[N@H+]1CCC[C@@H]1CO)c1c(Cl)cc(F)cc1Cl ZINC000435445046 563652257 /nfs/dbraw/zinc/65/22/57/563652257.db2.gz CERWSEYCWVHNAG-GFCCVEGCSA-N 1 0 399.315 2.648 20 0 GFADRO O=C(CCC[NH+]1CCN(c2ccccc2)CC1)Nc1n[nH]cc1Br ZINC000412345605 563654239 /nfs/dbraw/zinc/65/42/39/563654239.db2.gz KVFCPDZPKWFPBL-UHFFFAOYSA-N 1 0 392.301 2.713 20 0 GFADRO O=C(NCc1cc(Br)ccn1)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000412359785 563655084 /nfs/dbraw/zinc/65/50/84/563655084.db2.gz IJJFCFPKJWKIDJ-HNNXBMFYSA-N 1 0 384.343 2.678 20 0 GFADRO C[C@@H]1COCC[C@H]1C(=O)Nc1cc(Br)ccc1N1CC[NH+](C)CC1 ZINC000435609619 563655186 /nfs/dbraw/zinc/65/51/86/563655186.db2.gz AHKUUFBYPWFHER-UKRRQHHQSA-N 1 0 396.329 2.812 20 0 GFADRO C[C@@H](CNC(=O)c1cnc2c(Cl)cc(Br)cc2c1O)[NH+](C)C ZINC000412394416 563656309 /nfs/dbraw/zinc/65/63/09/563656309.db2.gz NETBUJOWPRVJFS-QMMMGPOBSA-N 1 0 386.677 2.624 20 0 GFADRO CN1C[C@@H](C[NH2+][C@@H](C(N)=O)c2ccc(Br)cc2)Cc2ccccc21 ZINC000435994665 563662118 /nfs/dbraw/zinc/66/21/18/563662118.db2.gz OYIMGZPLKRXZJV-FZKQIMNGSA-N 1 0 388.309 2.874 20 0 GFADRO Cc1ncsc1CN(C[C@H]1CC[NH2+]C1)[C@@H](C)C(=O)NCc1cccs1 ZINC000436050961 563663620 /nfs/dbraw/zinc/66/36/20/563663620.db2.gz JQQGKHDFHXVZCP-GJZGRUSLSA-N 1 0 378.567 2.629 20 0 GFADRO C[C@H]1C[C@@H](CO)CC[N@@H+]1CC(=O)N(C)Cc1cc(Br)cs1 ZINC000289050838 563666005 /nfs/dbraw/zinc/66/60/05/563666005.db2.gz QKLNXDQIIDFOIM-RYUDHWBXSA-N 1 0 375.332 2.562 20 0 GFADRO Cc1ncsc1CCS(=O)(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000289091865 563667763 /nfs/dbraw/zinc/66/77/63/563667763.db2.gz IJQFYFHIIRNWBU-AWEZNQCLSA-N 1 0 385.580 2.812 20 0 GFADRO Cc1cc(S(=O)(=O)NCC[NH2+]Cc2c[nH]nc2-c2ccsc2)c(C)s1 ZINC000436306769 563669007 /nfs/dbraw/zinc/66/90/07/563669007.db2.gz IQAJMDYHCYTDBU-UHFFFAOYSA-N 1 0 396.563 2.885 20 0 GFADRO C[NH+](C)CCn1ccc(NC(=O)N[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)n1 ZINC000436382595 563669788 /nfs/dbraw/zinc/66/97/88/563669788.db2.gz JUYPPUAKNSTEHP-SWLSCSKDSA-N 1 0 382.295 3.429 20 0 GFADRO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000289530722 563677299 /nfs/dbraw/zinc/67/72/99/563677299.db2.gz BECNHWUEGXDQOW-NEPJUHHUSA-N 1 0 391.265 2.545 20 0 GFADRO Cn1cc([C@H]2OCCC[C@@H]2[NH2+]Cc2cn3ccc(Br)cc3n2)cn1 ZINC000289579102 563679215 /nfs/dbraw/zinc/67/92/15/563679215.db2.gz SLILKVRGXHBJAE-DOTOQJQBSA-N 1 0 390.285 2.840 20 0 GFADRO C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)nc1)c1ccc(Br)nc1 ZINC000289570600 563679462 /nfs/dbraw/zinc/67/94/62/563679462.db2.gz DIKAIVFEKLRTFV-CYBMUJFWSA-N 1 0 377.286 2.927 20 0 GFADRO COCC[NH+]1CCC(NC(=O)NCc2cc(C)ccc2Br)CC1 ZINC000413168501 563684317 /nfs/dbraw/zinc/68/43/17/563684317.db2.gz JKVMXNWCFBEDJO-UHFFFAOYSA-N 1 0 384.318 2.668 20 0 GFADRO COc1ncc(-c2nc([C@H]3CN4CCCC[C@@H]4CO3)no2)cc1Br ZINC000351283206 563684584 /nfs/dbraw/zinc/68/45/84/563684584.db2.gz CAQDCUUKAWGFCE-DGCLKSJQSA-N 1 0 395.257 2.829 20 0 GFADRO O=C(COc1ccc(Br)cc1F)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000289823471 563688048 /nfs/dbraw/zinc/68/80/48/563688048.db2.gz AXVAJZLZTMSJRF-CYBMUJFWSA-N 1 0 385.277 2.815 20 0 GFADRO O=S1(=O)CC[C@H](C[NH2+]Cc2cc(Br)cc(Br)c2)C1 ZINC000289886243 563690085 /nfs/dbraw/zinc/69/00/85/563690085.db2.gz XLSYSYHPBSDGGI-SECBINFHSA-N 1 0 397.132 2.736 20 0 GFADRO Cc1ccc(C[NH2+]C[C@H]2CCC[C@]23NC(=O)N(C)C3=O)c(Br)c1 ZINC000359866832 563690332 /nfs/dbraw/zinc/69/03/32/563690332.db2.gz GOADEOFZAWCFAJ-DYVFJYSZSA-N 1 0 380.286 2.568 20 0 GFADRO CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1C[C@@H](O)c1cccc(Br)c1 ZINC000359898169 563690373 /nfs/dbraw/zinc/69/03/73/563690373.db2.gz MEDRFGOMEMWCJC-RCCFBDPRSA-N 1 0 381.314 2.958 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)[C@H]1CC[NH2+][C@H]1C(C)C ZINC000289949708 563692138 /nfs/dbraw/zinc/69/21/38/563692138.db2.gz MCQKGOIOTXFBOM-YOEHRIQHSA-N 1 0 396.329 2.836 20 0 GFADRO COc1ccc(Br)cc1CN1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000360694021 563694398 /nfs/dbraw/zinc/69/43/98/563694398.db2.gz VLVVFXNHHKMCRB-MAUKXSAKSA-N 1 0 396.373 2.916 20 0 GFADRO Cc1ccc(Br)c(CNC(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000413504980 563695292 /nfs/dbraw/zinc/69/52/92/563695292.db2.gz BPMFRGGGUCYXGF-UHFFFAOYSA-N 1 0 397.361 2.583 20 0 GFADRO O=S1(=O)CCC[C@H](C[NH2+]Cc2ccc(Br)c3cccnc23)C1 ZINC000290068368 563696494 /nfs/dbraw/zinc/69/64/94/563696494.db2.gz HUYHMQPFDIKJJQ-GFCCVEGCSA-N 1 0 383.311 2.912 20 0 GFADRO CNC(=O)CN1CCCN(C(=O)N[C@@H](C)c2cccc(Cl)c2Cl)CC1 ZINC000361476043 563700142 /nfs/dbraw/zinc/70/01/42/563700142.db2.gz ATLFTXIKVQNVDC-LBPRGKRZSA-N 1 0 387.311 2.518 20 0 GFADRO C[C@H](C(=O)N(C)[C@@H](C(N)=O)c1cccc(Br)c1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000413666892 563701872 /nfs/dbraw/zinc/70/18/72/563701872.db2.gz HQZUBHIWSNEJOE-OQMKEHIESA-N 1 0 396.329 2.695 20 0 GFADRO C[C@H](C[NH2+][C@H]1CCN(c2ccn(C)n2)C1=O)c1cccc(Br)c1 ZINC000362035398 563702702 /nfs/dbraw/zinc/70/27/02/563702702.db2.gz ZZLRZWNVROLYFL-DOMZBBRYSA-N 1 0 377.286 2.681 20 0 GFADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)c3cn(-c4ccc(Br)cc4)cn3)C[C@H]21 ZINC000362277183 563705365 /nfs/dbraw/zinc/70/53/65/563705365.db2.gz CXKUMMXCXCODQL-CXAGYDPISA-N 1 0 389.297 2.801 20 0 GFADRO O=C(Nc1cccnc1Cl)C(=O)NC1CC[NH+](Cc2cccs2)CC1 ZINC000362292406 563705448 /nfs/dbraw/zinc/70/54/48/563705448.db2.gz AVCASAIONITWLS-UHFFFAOYSA-N 1 0 378.885 2.516 20 0 GFADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)C[C@@H]3Sc4ccc(Cl)cc4NC3=O)C[C@@H]21 ZINC000362283748 563705468 /nfs/dbraw/zinc/70/54/68/563705468.db2.gz LVWICSMMPZTVSU-WPGHFRTFSA-N 1 0 379.913 2.696 20 0 GFADRO O=C(c1cc2cc(Br)ccc2[nH]1)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000362442724 563707191 /nfs/dbraw/zinc/70/71/91/563707191.db2.gz RIEWOSYYQGDBFK-SJORKVTESA-N 1 0 392.297 2.602 20 0 GFADRO CC[N@@H+]1CC[C@H](NC(=O)N(CCOC)Cc2sccc2Br)C1 ZINC000413869425 563708308 /nfs/dbraw/zinc/70/83/08/563708308.db2.gz YTOVTLHMNUGLBI-LBPRGKRZSA-N 1 0 390.347 2.763 20 0 GFADRO COC(=O)[C@H]1CN(C(=O)c2cc3c(cc(Cl)cc3Cl)[nH]2)CC[N@H+](C)C1 ZINC000413901553 563709713 /nfs/dbraw/zinc/70/97/13/563709713.db2.gz MJXLVTLEWYMXOH-SNVBAGLBSA-N 1 0 384.263 2.652 20 0 GFADRO COC(=O)[C@H]1CN(C(=O)c2c[nH]cc2-c2ccc(Cl)s2)CC[N@H+](C)C1 ZINC000413898157 563709947 /nfs/dbraw/zinc/70/99/47/563709947.db2.gz BKIOIPODXFUSBK-LLVKDONJSA-N 1 0 381.885 2.573 20 0 GFADRO O[C@H](COc1cc(F)cc(Br)c1)C[N@@H+]1CCC[C@@H](n2cccn2)C1 ZINC000438834687 563711750 /nfs/dbraw/zinc/71/17/50/563711750.db2.gz ATWAESFCMXKHMO-CVEARBPZSA-N 1 0 398.276 2.862 20 0 GFADRO COC(=O)[C@@H](Sc1nnnn1CC[NH+](C)C)c1cc(Cl)cc(Cl)c1 ZINC000438890658 563712664 /nfs/dbraw/zinc/71/26/64/563712664.db2.gz PHGVVRAUKMWEHO-LBPRGKRZSA-N 1 0 390.296 2.548 20 0 GFADRO O=C([C@@H]1CCCS1)N1CCCN(Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000363045858 563712690 /nfs/dbraw/zinc/71/26/90/563712690.db2.gz PIYZHGGISWSISR-INIZCTEOSA-N 1 0 378.929 2.918 20 0 GFADRO CCn1cc(Br)cc1C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000363025523 563712794 /nfs/dbraw/zinc/71/27/94/563712794.db2.gz LTTWLCSLXDRCDI-CYBMUJFWSA-N 1 0 384.318 2.501 20 0 GFADRO CC[C@@H](C)[N@H+](C)CCNC(=O)C1(c2cccc(Br)c2)CC(=O)C1 ZINC000438916473 563713139 /nfs/dbraw/zinc/71/31/39/563713139.db2.gz GDPPLWFJHIJYAD-CYBMUJFWSA-N 1 0 381.314 2.896 20 0 GFADRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C1(c2cccc(Br)c2)CC(=O)C1 ZINC000438909271 563713425 /nfs/dbraw/zinc/71/34/25/563713425.db2.gz IMADRBFBNIBMEU-SJCJKPOMSA-N 1 0 391.309 2.649 20 0 GFADRO CC[C@H](C)[N@H+](C)CCNC(=O)C1(c2cccc(Br)c2)CC(=O)C1 ZINC000438916475 563713571 /nfs/dbraw/zinc/71/35/71/563713571.db2.gz GDPPLWFJHIJYAD-ZDUSSCGKSA-N 1 0 381.314 2.896 20 0 GFADRO COCC[N@@H+]1CCCN(C(=O)c2ccc(Br)cc2Cl)CC1 ZINC000363048907 563713629 /nfs/dbraw/zinc/71/36/29/563713629.db2.gz DKVXMDYPITXYDB-UHFFFAOYSA-N 1 0 375.694 2.897 20 0 GFADRO C[C@H]1C[C@@H](NC(=O)Nc2ccc(F)cc2I)CC[NH2+]1 ZINC000415255054 563764307 /nfs/dbraw/zinc/76/43/07/563764307.db2.gz UNGCAMQDCIAHGI-WPRPVWTQSA-N 1 0 377.201 2.692 20 0 GFADRO COC(C)(C)CS(=O)(=O)N(CC[NH+]1CCCC1)Cc1ccc(Cl)cc1 ZINC000439167253 563718147 /nfs/dbraw/zinc/71/81/47/563718147.db2.gz IOWHPXLENRVXES-UHFFFAOYSA-N 1 0 388.961 2.993 20 0 GFADRO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]Cc1ccc(C[S@@](C)=O)cc1 ZINC000414122578 563720176 /nfs/dbraw/zinc/72/01/76/563720176.db2.gz BFADXABVVKBQBV-ZAMGYDSWSA-N 1 0 397.338 2.668 20 0 GFADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]Cc1ccc(C[S@](C)=O)cc1 ZINC000414122583 563720532 /nfs/dbraw/zinc/72/05/32/563720532.db2.gz BFADXABVVKBQBV-ZLOXQWCVSA-N 1 0 397.338 2.668 20 0 GFADRO COc1ccc(Br)cc1C[C@H](CO)C[NH2+][C@@H](C)c1ccn(C)n1 ZINC000414145422 563720970 /nfs/dbraw/zinc/72/09/70/563720970.db2.gz KIEFXYLNXJBHJE-STQMWFEESA-N 1 0 382.302 2.693 20 0 GFADRO COc1ncc(C[NH2+][C@H](C)Cn2cc(Br)ccc2=O)cc1Cl ZINC000414148078 563721210 /nfs/dbraw/zinc/72/12/10/563721210.db2.gz NCMIINFCMZAWQW-SNVBAGLBSA-N 1 0 386.677 2.846 20 0 GFADRO C[C@@H]([NH2+]CCCNS(=O)(=O)c1ccccc1Cl)c1cc2n(n1)CCC2 ZINC000414151652 563721264 /nfs/dbraw/zinc/72/12/64/563721264.db2.gz PZSQQHDIXSYZLQ-CYBMUJFWSA-N 1 0 382.917 2.502 20 0 GFADRO C[C@H]([NH2+]C[C@@H](O)Cn1ccnn1)c1ccc(Br)cc1C(F)(F)F ZINC000414184715 563721684 /nfs/dbraw/zinc/72/16/84/563721684.db2.gz OFBDFQKPWKYYFA-GXSJLCMTSA-N 1 0 393.207 2.771 20 0 GFADRO C[C@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH2+]C[C@@H]1CNC(=O)C1 ZINC000414179901 563721690 /nfs/dbraw/zinc/72/16/90/563721690.db2.gz AXDKFIQZELYGIZ-NXEZZACHSA-N 1 0 377.794 2.802 20 0 GFADRO C[C@@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH2+]C[C@H]1CNC(=O)C1 ZINC000414179902 563721975 /nfs/dbraw/zinc/72/19/75/563721975.db2.gz AXDKFIQZELYGIZ-UWVGGRQHSA-N 1 0 377.794 2.802 20 0 GFADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)c3csc(-c4cccs4)n3)CC2)C1 ZINC000363421304 563722204 /nfs/dbraw/zinc/72/22/04/563722204.db2.gz BXLCZMYCIOVZPB-AWEZNQCLSA-N 1 0 376.551 2.724 20 0 GFADRO CC1(C)CC[C@@H]([NH2+]C[C@@H](O)Cn2ccnn2)c2cc(Br)ccc21 ZINC000414200039 563722700 /nfs/dbraw/zinc/72/27/00/563722700.db2.gz XFKBXDOWNAIKBQ-CZUORRHYSA-N 1 0 379.302 2.804 20 0 GFADRO C[N@H+](C[C@H](O)COc1cc(F)cc(Br)c1)C[C@H]1CCCC[C@H]1O ZINC000439428190 563723974 /nfs/dbraw/zinc/72/39/74/563723974.db2.gz YIDNOPZXXDASFI-ISTRZQFTSA-N 1 0 390.293 2.811 20 0 GFADRO CCn1cc([C@@H]2OCC[C@H]2C[NH2+][C@@H](C)Cn2cc(Br)cn2)cn1 ZINC000414255626 563723954 /nfs/dbraw/zinc/72/39/54/563723954.db2.gz VFIGXQWDIBGVPC-HEHGZKQESA-N 1 0 382.306 2.618 20 0 GFADRO CN(Cc1ccc(Cl)s1)C(=O)CN1CCC[C@@H](N2CCCCC2=O)C1 ZINC000363501509 563724317 /nfs/dbraw/zinc/72/43/17/563724317.db2.gz YHRDHLDKVYQWFF-CQSZACIVSA-N 1 0 383.945 2.837 20 0 GFADRO C[NH+](C)Cc1ccc(NCc2ccc(S(N)(=O)=O)c(Br)c2)cc1 ZINC000414287801 563725557 /nfs/dbraw/zinc/72/55/57/563725557.db2.gz FLTGUYJHNZLUGV-UHFFFAOYSA-N 1 0 398.326 2.770 20 0 GFADRO COCC[N@H+](CC(C)C)C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000439443310 563725769 /nfs/dbraw/zinc/72/57/69/563725769.db2.gz AGVPOOFORNXWDL-HNNXBMFYSA-N 1 0 378.282 2.932 20 0 GFADRO NC(=O)c1ccsc1NC(=O)CC[N@@H+]1CCS[C@@H](c2ccccc2)C1 ZINC000363546890 563725885 /nfs/dbraw/zinc/72/58/85/563725885.db2.gz UZUHSZSZKADVSX-OAHLLOKOSA-N 1 0 375.519 2.966 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+]Cc2cccc(OCC(F)F)c2)cc1Cl ZINC000414322343 563726236 /nfs/dbraw/zinc/72/62/36/563726236.db2.gz FQEGBETVTSGRLS-UHFFFAOYSA-N 1 0 390.839 2.921 20 0 GFADRO OCC[N@H+](C[C@H](O)COc1cc(F)cc(Br)c1)C1CCCCC1 ZINC000439461504 563726541 /nfs/dbraw/zinc/72/65/41/563726541.db2.gz LHNPDHPVEBUHFO-INIZCTEOSA-N 1 0 390.293 2.955 20 0 GFADRO COCCOCCC[NH2+]Cc1c(Br)cncc1Br ZINC000290961505 563727900 /nfs/dbraw/zinc/72/79/00/563727900.db2.gz WKJNEPJKHWZUFZ-UHFFFAOYSA-N 1 0 382.096 2.749 20 0 GFADRO C[C@@H](CC(=O)N(C)C)[NH2+]C1CCN(Cc2cccc(Br)c2)CC1 ZINC000414352664 563728513 /nfs/dbraw/zinc/72/85/13/563728513.db2.gz QABMZZHGKQFJMQ-AWEZNQCLSA-N 1 0 382.346 2.870 20 0 GFADRO Cc1cn2c(n1)CN(C(=O)Nc1ccccc1I)CC2 ZINC000363709923 563730919 /nfs/dbraw/zinc/73/09/19/563730919.db2.gz GZSVIZPDNDDUDX-UHFFFAOYSA-N 1 0 382.205 2.844 20 0 GFADRO COC(=O)C[C@H](NC(=O)[C@H]1C[NH+]2CCC1CC2)c1ccc(Br)cc1 ZINC000363836701 563734667 /nfs/dbraw/zinc/73/46/67/563734667.db2.gz VMLXJATZVBSERQ-HOTGVXAUSA-N 1 0 395.297 2.511 20 0 GFADRO COC(=O)C[C@@H](NC(=O)[C@H]1C[NH+]2CCC1CC2)c1cccc(Br)c1 ZINC000363836780 563734867 /nfs/dbraw/zinc/73/48/67/563734867.db2.gz VUYFFFDQMVSAES-JKSUJKDBSA-N 1 0 395.297 2.511 20 0 GFADRO CCN(C[C@@H]1CCN(Cc2ccc(S(C)(=O)=O)s2)C1)CC(F)(F)F ZINC000414416162 563735686 /nfs/dbraw/zinc/73/56/86/563735686.db2.gz VVECDHBGFWFHEF-LBPRGKRZSA-N 1 0 384.489 2.858 20 0 GFADRO Cc1c(S(=O)(=O)N[C@H](C)[C@H]2CCC[NH2+]C2)cnn1-c1ccc(Cl)cc1 ZINC000440342219 563739470 /nfs/dbraw/zinc/73/94/70/563739470.db2.gz RIPPSGBLFFJHMG-OCCSQVGLSA-N 1 0 382.917 2.501 20 0 GFADRO Cc1c(S(=O)(=O)N2CCCC[C@@H]2[C@H](C)[NH3+])cnn1-c1ccc(Cl)cc1 ZINC000440355846 563739900 /nfs/dbraw/zinc/73/99/00/563739900.db2.gz NPOVKADXINNWRU-BLLLJJGKSA-N 1 0 382.917 2.725 20 0 GFADRO O=S(=O)(c1c(F)cccc1Cl)N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000414460472 563740660 /nfs/dbraw/zinc/74/06/60/563740660.db2.gz JNCXJPCMAKRFSN-CQSZACIVSA-N 1 0 390.908 2.745 20 0 GFADRO C[C@H](CCc1ccc(Br)cc1)NC(=O)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O ZINC000364163819 563745614 /nfs/dbraw/zinc/74/56/14/563745614.db2.gz AJIAWOCWJZWICX-OHRKKDJYSA-N 1 0 393.325 2.701 20 0 GFADRO C[NH+]1CCC(CC(=O)N[C@H]2CCN(c3ccc(Br)cc3)C2)CC1 ZINC000291586275 563748596 /nfs/dbraw/zinc/74/85/96/563748596.db2.gz VKVTYQONUQHEMD-INIZCTEOSA-N 1 0 380.330 2.876 20 0 GFADRO COCCCOc1ccc(Cl)cc1S(=O)(=O)N1CCC([C@@H](C)[NH3+])CC1 ZINC000440743445 563748729 /nfs/dbraw/zinc/74/87/29/563748729.db2.gz AVNVILBBZLEAMK-CYBMUJFWSA-N 1 0 390.933 2.503 20 0 GFADRO [NH3+]C[C@H]1CCCC[C@H]1NS(=O)(=O)c1cc(Cl)ccc1Br ZINC000440732803 563748789 /nfs/dbraw/zinc/74/87/89/563748789.db2.gz IKDRMLWHXQQARE-BXKDBHETSA-N 1 0 381.723 2.898 20 0 GFADRO Cc1cc(I)ccc1NC(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000414675159 563749358 /nfs/dbraw/zinc/74/93/58/563749358.db2.gz FJUZRRSKBBQKSH-NWDGAFQWSA-N 1 0 385.249 2.673 20 0 GFADRO CCC(CC)(C[NH3+])NS(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC000440746701 563749610 /nfs/dbraw/zinc/74/96/10/563749610.db2.gz KWMLZMRDCIQZKR-ZDUSSCGKSA-N 1 0 390.933 2.551 20 0 GFADRO Cc1ccc(NC(=O)N2C[C@H](C[NH3+])C3(C2)CCOCC3)c(Br)c1 ZINC000414689534 563749868 /nfs/dbraw/zinc/74/98/68/563749868.db2.gz GAMJVUWCCIAZFV-ZDUSSCGKSA-N 1 0 382.302 2.977 20 0 GFADRO CC[NH2+]Cc1ccccc1NC(=O)C(=O)NCc1ccc(Br)s1 ZINC000414686845 563750246 /nfs/dbraw/zinc/75/02/46/563750246.db2.gz BMNQIRBCAVIZSA-UHFFFAOYSA-N 1 0 396.310 2.875 20 0 GFADRO O=C(CN1CCC[C@@H]1C[N@H+]1CCC[C@H]1CO)Nc1c(Cl)cccc1Cl ZINC000364355505 563750702 /nfs/dbraw/zinc/75/07/02/563750702.db2.gz FPFFKPLVMNHPDY-KGLIPLIRSA-N 1 0 386.323 2.853 20 0 GFADRO CN(Cc1ccc(Cl)s1)C(=O)C(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000414720581 563750771 /nfs/dbraw/zinc/75/07/71/563750771.db2.gz YTYKPNAVTWHLFL-UHFFFAOYSA-N 1 0 381.860 2.783 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)Nc2ccc(Br)c(C(F)(F)F)c2)CCO1 ZINC000414706713 563750854 /nfs/dbraw/zinc/75/08/54/563750854.db2.gz HDQSKFUGLVMBMR-SECBINFHSA-N 1 0 382.180 2.659 20 0 GFADRO O=C(NCCCN1CC[NH2+]CC1)Nc1ccc(Br)cc1Cl ZINC000414720591 563751152 /nfs/dbraw/zinc/75/11/52/563751152.db2.gz YVABAWRFBQLWTF-UHFFFAOYSA-N 1 0 375.698 2.519 20 0 GFADRO Cc1cc(F)c(Br)cc1S(=O)(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000440838546 563751569 /nfs/dbraw/zinc/75/15/69/563751569.db2.gz SOAKBUZASVTCRG-MJVIPROJSA-N 1 0 391.306 2.645 20 0 GFADRO O=C(Nc1ccc(I)cc1Cl)N1CCC[NH2+]CC1 ZINC000414795167 563752560 /nfs/dbraw/zinc/75/25/60/563752560.db2.gz MTYNYBGKJCFPAD-UHFFFAOYSA-N 1 0 379.629 2.772 20 0 GFADRO CC[C@@H]([NH2+][C@H]1CCN(CCN2CCOCC2)C1)c1ccc(Br)cc1 ZINC000364459093 563753440 /nfs/dbraw/zinc/75/34/40/563753440.db2.gz QSUQOLNIVBRPTR-RBUKOAKNSA-N 1 0 396.373 2.896 20 0 GFADRO CCOC(=O)COc1c(Br)cc(C)cc1CN[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414962569 563754985 /nfs/dbraw/zinc/75/49/85/563754985.db2.gz ZTTLZAPLMGQUCO-ZFWWWQNUSA-N 1 0 399.329 2.930 20 0 GFADRO COC[C@]1(CNCc2cccc(Br)c2OC(F)F)CCC[NH2+]1 ZINC000414948531 563755022 /nfs/dbraw/zinc/75/50/22/563755022.db2.gz XNWRBMUCQATWSQ-OAHLLOKOSA-N 1 0 379.245 2.909 20 0 GFADRO CC[NH+]1CCN([C@H]2CCN(C(=O)[C@@H](C)c3cccc(Br)c3)C2)CC1 ZINC000291721148 563755851 /nfs/dbraw/zinc/75/58/51/563755851.db2.gz PUGLWRVEAYGAPE-YJBOKZPZSA-N 1 0 394.357 2.791 20 0 GFADRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1nc(C2CC2)ncc1Br ZINC000291730689 563755933 /nfs/dbraw/zinc/75/59/33/563755933.db2.gz JOGISLKQBUTHMA-BXUZGUMPSA-N 1 0 379.302 2.815 20 0 GFADRO CO[C@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1ccc(I)cc1 ZINC000441227824 563756377 /nfs/dbraw/zinc/75/63/77/563756377.db2.gz IDTOLUUQBHWANP-KBPBESRZSA-N 1 0 388.249 2.777 20 0 GFADRO COc1cc(Br)c(NC(=O)N[C@@H]2CC[NH2+]CC2(C)C)cc1OC ZINC000414989082 563756458 /nfs/dbraw/zinc/75/64/58/563756458.db2.gz GOPLTWDUOFNJOV-CQSZACIVSA-N 1 0 386.290 2.976 20 0 GFADRO COCC1(C[NH2+]Cc2cn(-c3ccccc3Br)nn2)CCOCC1 ZINC000291748379 563757260 /nfs/dbraw/zinc/75/72/60/563757260.db2.gz PUBFLSJKTSMKNS-UHFFFAOYSA-N 1 0 395.301 2.563 20 0 GFADRO C[NH+](C)[C@H]1CCCN(S(=O)(=O)CCc2ccccc2Br)CC1 ZINC000291754317 563757314 /nfs/dbraw/zinc/75/73/14/563757314.db2.gz TWTQYGIWFUEJRN-HNNXBMFYSA-N 1 0 389.359 2.738 20 0 GFADRO C[N@@H+]1CC[C@@H](CNC(=O)c2ccncc2Br)[C@@H]1c1cccnc1 ZINC000364563096 563757715 /nfs/dbraw/zinc/75/77/15/563757715.db2.gz DCGQQTLWUFIWET-BBRMVZONSA-N 1 0 375.270 2.662 20 0 GFADRO CC[C@H]1C[C@@H](C[NH2+]CCNS(=O)(=O)c2ccc(Cl)cc2F)CCO1 ZINC000441342163 563758416 /nfs/dbraw/zinc/75/84/16/563758416.db2.gz RFYXBBQUCZENMN-JSGCOSHPSA-N 1 0 378.897 2.552 20 0 GFADRO COc1ccc(I)c(NC(=O)N[C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000415078851 563758748 /nfs/dbraw/zinc/75/87/48/563758748.db2.gz WEWNCBBHYMRKAE-VHSXEESVSA-N 1 0 389.237 2.691 20 0 GFADRO CCc1ncc(C[NH2+]CCNS(=O)(=O)c2ccc(Cl)cc2F)s1 ZINC000441367030 563759094 /nfs/dbraw/zinc/75/90/94/563759094.db2.gz GJBMRCCGEQQQEO-UHFFFAOYSA-N 1 0 377.894 2.566 20 0 GFADRO Cc1nc(C)c(C[NH2+]CCNS(=O)(=O)c2ccc(Cl)cc2F)s1 ZINC000441358113 563759334 /nfs/dbraw/zinc/75/93/34/563759334.db2.gz USBRWVRGQUGJFD-UHFFFAOYSA-N 1 0 377.894 2.621 20 0 GFADRO CC(C)(C)c1n[nH]cc1C[NH2+]CCNS(=O)(=O)c1ccc(Cl)cc1F ZINC000441375224 563759373 /nfs/dbraw/zinc/75/93/73/563759373.db2.gz XZLIJUXPQBCLMN-UHFFFAOYSA-N 1 0 388.896 2.568 20 0 GFADRO CC1(NC(=O)Nc2cc(F)c(I)c(F)c2)CC[NH2+]CC1 ZINC000415111444 563759682 /nfs/dbraw/zinc/75/96/82/563759682.db2.gz CADSKYCYPVLPGL-UHFFFAOYSA-N 1 0 395.191 2.833 20 0 GFADRO C[C@@H](C[NH2+]CCNS(=O)(=O)c1ccc(Cl)cc1F)CC1CCOCC1 ZINC000441386881 563760169 /nfs/dbraw/zinc/76/01/69/563760169.db2.gz XIIYJGZSXWNMBL-CYBMUJFWSA-N 1 0 392.924 2.800 20 0 GFADRO CC(C)[C@H]([NH3+])CNC(=O)Nc1cc(F)c(I)c(F)c1 ZINC000415129491 563760336 /nfs/dbraw/zinc/76/03/36/563760336.db2.gz ZCGUHLOKHIDMMC-SNVBAGLBSA-N 1 0 383.180 2.674 20 0 GFADRO O=C1N[C@H]2CN(Cc3c(Cl)cccc3Cl)CC[C@H]2N1C1CC[NH2+]CC1 ZINC000415140940 563760522 /nfs/dbraw/zinc/76/05/22/563760522.db2.gz OCFZWRAOTZHRBE-DLBZAZTESA-N 1 0 383.323 2.714 20 0 GFADRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)Nc1cc(Br)ccc1-n1cccn1 ZINC000415158709 563761158 /nfs/dbraw/zinc/76/11/58/563761158.db2.gz IUNQNNHBYLNZGW-NWDGAFQWSA-N 1 0 378.274 2.836 20 0 GFADRO O=C1N[C@H]2CN(Cc3csc(Cl)c3Cl)CC[C@H]2N1C1CC[NH2+]CC1 ZINC000415141505 563761387 /nfs/dbraw/zinc/76/13/87/563761387.db2.gz PNFISXRQSLCUNJ-QWHCGFSZSA-N 1 0 389.352 2.775 20 0 GFADRO [NH3+]C[C@H]1CCCN1C(=O)Nc1cc(Br)cnc1OCC(F)(F)F ZINC000415168162 563761625 /nfs/dbraw/zinc/76/16/25/563761625.db2.gz HQGBHTMCLJEQGJ-SECBINFHSA-N 1 0 397.195 2.740 20 0 GFADRO [NH3+][C@H]1CCC[C@@H](NC(=O)Nc2ccc(F)cc2I)C1 ZINC000415250092 563763549 /nfs/dbraw/zinc/76/35/49/563763549.db2.gz KXQMPSMHWOAVPG-VHSXEESVSA-N 1 0 377.201 2.822 20 0 GFADRO CC(C)[C@H]([NH3+])CNC(=O)Nc1cc(Br)cnc1OCC(F)(F)F ZINC000415170601 563761895 /nfs/dbraw/zinc/76/18/95/563761895.db2.gz LJRLGNIXGPPFDZ-SECBINFHSA-N 1 0 399.211 2.890 20 0 GFADRO CC(C)C[C@](C)(C[NH3+])NC(=O)Nc1ccc(NS(C)(=O)=O)c(Cl)c1 ZINC000415204321 563762424 /nfs/dbraw/zinc/76/24/24/563762424.db2.gz VWUYJWALUIZKSJ-OAHLLOKOSA-N 1 0 376.910 2.597 20 0 GFADRO C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)Nc1c(F)cc(Br)cc1F ZINC000415205765 563762495 /nfs/dbraw/zinc/76/24/95/563762495.db2.gz BDIDMQMNIMVUCC-RDDDGLTNSA-N 1 0 378.217 2.962 20 0 GFADRO CC(C)[C@H]([NH3+])CNC(=O)Nc1ccc(CCn2cc(Br)cn2)cc1 ZINC000415220656 563762941 /nfs/dbraw/zinc/76/29/41/563762941.db2.gz ZGIUWKZNPIJGPT-MRXNPFEDSA-N 1 0 394.317 2.993 20 0 GFADRO O=C(NC[C@@H]1CCC[NH2+]C1)Nc1cc(F)c(F)cc1I ZINC000415236821 563763193 /nfs/dbraw/zinc/76/31/93/563763193.db2.gz GRGFBFFZGXTOAS-MRVPVSSYSA-N 1 0 395.191 2.691 20 0 GFADRO O=C(NCCC1=CC[NH2+]CC1)Nc1ccc(F)cc1I ZINC000415248078 563763665 /nfs/dbraw/zinc/76/36/65/563763665.db2.gz GHFPXXTYQYEMLM-UHFFFAOYSA-N 1 0 389.212 2.862 20 0 GFADRO CSc1ccc(NC(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])cc1Cl ZINC000415242193 563763754 /nfs/dbraw/zinc/76/37/54/563763754.db2.gz NPMHGYVTQRXQSU-ZDUSSCGKSA-N 1 0 384.933 2.913 20 0 GFADRO Cc1ccc(SCC(F)(F)F)c(NC(=O)C(=O)N2CCC[C@H]([NH3+])C2)c1 ZINC000415277214 563764985 /nfs/dbraw/zinc/76/49/85/563764985.db2.gz YESNXISBCDKQHV-NSHDSACASA-N 1 0 375.416 2.538 20 0 GFADRO C[C@H]1CN(C(=O)Nc2cc(I)ccc2Cl)CC[NH2+]1 ZINC000415260843 563765001 /nfs/dbraw/zinc/76/50/01/563765001.db2.gz BYKJFIQDGCFCEW-QMMMGPOBSA-N 1 0 379.629 2.770 20 0 GFADRO C[NH2+]C[C@H]1CCCN(C(=O)C(=O)Nc2ccc(C(F)(F)F)cc2Cl)C1 ZINC000415288128 563765605 /nfs/dbraw/zinc/76/56/05/563765605.db2.gz ZLLYIJCPGLYWLV-SNVBAGLBSA-N 1 0 377.794 2.755 20 0 GFADRO O=C(Nc1ccc(Cl)cc1I)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000415278188 563765628 /nfs/dbraw/zinc/76/56/28/563765628.db2.gz AOEMWOJQYXLBGY-PELKAZGASA-N 1 0 391.640 2.770 20 0 GFADRO O=C(Nc1cccc(Cl)c1SCC(F)F)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000415296921 563765931 /nfs/dbraw/zinc/76/59/31/563765931.db2.gz DEHWAEHZRZYZJZ-SECBINFHSA-N 1 0 377.844 2.504 20 0 GFADRO [NH3+][C@H](CNC(=O)Nc1cccc(Oc2ncc(Br)cn2)c1)C1CC1 ZINC000415304059 563766245 /nfs/dbraw/zinc/76/62/45/563766245.db2.gz PJYQFYVPWFJCHJ-CQSZACIVSA-N 1 0 392.257 2.890 20 0 GFADRO O=C(NCCNc1cccc(Br)c1)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000364846520 563766356 /nfs/dbraw/zinc/76/63/56/563766356.db2.gz IIDHJULMDLEKNR-HOTGVXAUSA-N 1 0 381.318 2.787 20 0 GFADRO CCOC(=O)c1c(NC(=O)N[C@H]2C[NH2+]CC[C@H]2C)sc2c1CCSC2 ZINC000415333142 563767451 /nfs/dbraw/zinc/76/74/51/563767451.db2.gz IRPXGOMVQYOCMC-PWSUYJOCSA-N 1 0 383.539 2.834 20 0 GFADRO CCOC(=O)c1c(NC(=O)N2CC[C@@H]([C@@H](C)[NH3+])C2)sc2c1CCSC2 ZINC000415327787 563767500 /nfs/dbraw/zinc/76/75/00/563767500.db2.gz BPBSPVTZKBPAFL-GHMZBOCLSA-N 1 0 383.539 2.915 20 0 GFADRO COC(=O)c1cc(Br)ccc1NC(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000415325029 563767590 /nfs/dbraw/zinc/76/75/90/563767590.db2.gz FMNDJGJIJXYRPW-LLVKDONJSA-N 1 0 384.274 2.828 20 0 GFADRO CCOC(=O)c1c(NC(=O)N[C@@H](CC[NH3+])C(F)F)sc2c1CCCC2 ZINC000415336244 563768111 /nfs/dbraw/zinc/76/81/11/563768111.db2.gz QWAMCWAUWNMYJY-JTQLQIEISA-N 1 0 375.441 2.908 20 0 GFADRO C[NH2+][C@H]1CCCN(C(=O)C(=O)Nc2ccc(Br)cc2C(C)C)C1 ZINC000415351938 563769522 /nfs/dbraw/zinc/76/95/22/563769522.db2.gz AGAKSORBBNBSIC-ZDUSSCGKSA-N 1 0 382.302 2.721 20 0 GFADRO C[C@@H](CO)[N@@H+]1CCCN(Cc2nc(-c3ccc(Br)cc3)c[nH]2)CC1 ZINC000364972276 563770418 /nfs/dbraw/zinc/77/04/18/563770418.db2.gz KQHXQUPZLYEAAO-AWEZNQCLSA-N 1 0 393.329 2.728 20 0 GFADRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)Nc1cccc(F)c1I ZINC000415359625 563770650 /nfs/dbraw/zinc/77/06/50/563770650.db2.gz KXKBMXBCBWTBAQ-PSASIEDQSA-N 1 0 377.201 2.550 20 0 GFADRO C[NH2+]C[C@@H]1CCCN1C(=O)Nc1cnn(-c2ccccc2Br)c1 ZINC000415359324 563770760 /nfs/dbraw/zinc/77/07/60/563770760.db2.gz WDODOQVNLZWMNG-ZDUSSCGKSA-N 1 0 378.274 2.851 20 0 GFADRO [NH3+]C1CCC(NC(=O)C(=O)Nc2cc(Cl)ccc2OC(F)(F)F)CC1 ZINC000415375277 563771229 /nfs/dbraw/zinc/77/12/29/563771229.db2.gz WYDJXUQMLHZBFI-UHFFFAOYSA-N 1 0 379.766 2.563 20 0 GFADRO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)CN1CCC(F)(F)[C@H](CO)C1 ZINC000292047834 563771502 /nfs/dbraw/zinc/77/15/02/563771502.db2.gz ZZUZCYHBWUAYOT-LBPRGKRZSA-N 1 0 381.250 2.901 20 0 GFADRO C[NH2+]C[C@H]1CCCN(C(=O)C2CCN(C(=O)c3ccc(Cl)s3)CC2)C1 ZINC000365046592 563772468 /nfs/dbraw/zinc/77/24/68/563772468.db2.gz LZTPKETYJWVSOP-CYBMUJFWSA-N 1 0 383.945 2.712 20 0 GFADRO C[C@H]([NH3+])C1CCN(C(=O)C(=O)Nc2cc(Cl)cc(C(F)(F)F)c2)CC1 ZINC000415393276 563772858 /nfs/dbraw/zinc/77/28/58/563772858.db2.gz YTWFEIAVDOYXGP-VIFPVBQESA-N 1 0 377.794 2.883 20 0 GFADRO Cc1cc(F)c(NC(=O)N2C[C@@H](C)[C@H]([NH3+])C2)c(I)c1 ZINC000415407278 563773035 /nfs/dbraw/zinc/77/30/35/563773035.db2.gz QJMVQYZYQJPNLO-LDYMZIIASA-N 1 0 377.201 2.550 20 0 GFADRO Cc1cccc(C(=O)N2CC[C@@]3(CCC[C@@H]3[NH3+])C2)c1I ZINC000365084393 563773255 /nfs/dbraw/zinc/77/32/55/563773255.db2.gz KAPBTWOAVHTFTM-BBRMVZONSA-N 1 0 384.261 2.943 20 0 GFADRO C[C@@H](CCCC[NH3+])NC(=O)[C@H]1CCCN1C(=O)c1ccc(Br)cc1 ZINC000292078368 563773267 /nfs/dbraw/zinc/77/32/67/563773267.db2.gz LXGPLPDZGFJWOW-XJKSGUPXSA-N 1 0 396.329 2.687 20 0 GFADRO Cc1cc(F)c(NC(=O)N[C@H]2CC[C@H](C[NH3+])C2)c(I)c1 ZINC000415414295 563773782 /nfs/dbraw/zinc/77/37/82/563773782.db2.gz ZRKVTBCRYNWTEK-UWVGGRQHSA-N 1 0 391.228 2.988 20 0 GFADRO COCCOc1ccc(Br)cc1NC(=O)N1CC[NH2+]C(C)(C)C1 ZINC000415429492 563774857 /nfs/dbraw/zinc/77/48/57/563774857.db2.gz RMVTZYUQTWMAJO-UHFFFAOYSA-N 1 0 386.290 2.690 20 0 GFADRO COCCOc1ccc(Br)cc1NC(=O)N1C[C@H](C)[NH2+]C[C@@H]1C ZINC000415429629 563775093 /nfs/dbraw/zinc/77/50/93/563775093.db2.gz RUCCKGBKSSKQNG-RYUDHWBXSA-N 1 0 386.290 2.688 20 0 GFADRO CC(C)NC(=O)c1cnn2c1C[C@@H](C[NH2+]Cc1ccc(Br)o1)CC2 ZINC000365130240 563775305 /nfs/dbraw/zinc/77/53/05/563775305.db2.gz BMSNZPCGKOPADF-LBPRGKRZSA-N 1 0 395.301 2.729 20 0 GFADRO Cc1ccc(NC(=O)C(=O)N[C@H](C[NH3+])C2CCCCC2)cc1Br ZINC000415431488 563775470 /nfs/dbraw/zinc/77/54/70/563775470.db2.gz URXUGECIMLCTIF-OAHLLOKOSA-N 1 0 382.302 2.720 20 0 GFADRO Cn1ccc(N2CC[C@@H]([NH2+]Cc3ccc(Br)c(Cl)c3)C2=O)n1 ZINC000365190680 563776114 /nfs/dbraw/zinc/77/61/14/563776114.db2.gz IINBZULJQRLURD-CYBMUJFWSA-N 1 0 383.677 2.731 20 0 GFADRO [NH3+]C[C@H](NC(=O)C(=O)Nc1nc(-c2cccs2)cs1)C1CCCCC1 ZINC000415442908 563776175 /nfs/dbraw/zinc/77/61/75/563776175.db2.gz GKYBCEVWITYANO-LBPRGKRZSA-N 1 0 378.523 2.834 20 0 GFADRO Cc1ccc(SCC(F)(F)F)c(NC(=O)C(=O)N2CCC[C@@H]2C[NH3+])c1 ZINC000415469171 563777700 /nfs/dbraw/zinc/77/77/00/563777700.db2.gz LDBBCAZBQNXHEG-LLVKDONJSA-N 1 0 375.416 2.538 20 0 GFADRO COC(=O)c1cc(Br)c(F)cc1NC(=O)N[C@H](C[NH3+])C(C)(C)C ZINC000415471926 563777706 /nfs/dbraw/zinc/77/77/06/563777706.db2.gz SOZJAEYNZGUCBW-GFCCVEGCSA-N 1 0 390.253 2.870 20 0 GFADRO C[C@@H](NC(=O)CN1CC[C@@]2(CC[N@H+](C)C2)C1)c1ccc(Br)cc1 ZINC000292204671 563778531 /nfs/dbraw/zinc/77/85/31/563778531.db2.gz SODOAARSYNPXKY-RDTXWAMCSA-N 1 0 380.330 2.654 20 0 GFADRO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)Nc1cc(Br)cnc1-n1cccn1 ZINC000415489899 563778959 /nfs/dbraw/zinc/77/89/59/563778959.db2.gz UYCDSMQYYCFMGG-WCQYABFASA-N 1 0 393.289 2.669 20 0 GFADRO CN(CC(C)(C)C[NH3+])C(=O)Nc1nnc(-c2cccc(Br)c2)s1 ZINC000415494025 563779057 /nfs/dbraw/zinc/77/90/57/563779057.db2.gz CTYDMUPDQDUSOW-UHFFFAOYSA-N 1 0 398.330 3.416 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)Nc2nnc(-c3cccc(Br)c3)s2)C1 ZINC000415492118 563779100 /nfs/dbraw/zinc/77/91/00/563779100.db2.gz AMYPVIZSYQKOSU-GXSJLCMTSA-N 1 0 396.314 3.169 20 0 GFADRO CC(C)(C)[C@H](C[NH3+])NC(=O)Nc1nnc(-c2cccc(Br)c2)s1 ZINC000415498046 563779787 /nfs/dbraw/zinc/77/97/87/563779787.db2.gz IYCGSCQMSGNIEX-NSHDSACASA-N 1 0 398.330 3.463 20 0 GFADRO CCCN(C(=O)C(=O)Nc1ccc(F)cc1Br)C1CC[NH2+]CC1 ZINC000415503808 563780337 /nfs/dbraw/zinc/78/03/37/563780337.db2.gz SGPCBTKOAGLLLP-UHFFFAOYSA-N 1 0 386.265 2.517 20 0 GFADRO [NH3+]C[C@H]1CC[C@@H](NC(=O)Nc2nnc(-c3cccc(Br)c3)s2)C1 ZINC000415508390 563780426 /nfs/dbraw/zinc/78/04/26/563780426.db2.gz XVOQQZRHVMYZTH-JOYOIKCWSA-N 1 0 396.314 3.217 20 0 GFADRO C[C@@H](CC(=O)NCC1(O)CC[NH+](C)CC1)c1ccc(F)c(Br)c1 ZINC000292269793 563780601 /nfs/dbraw/zinc/78/06/01/563780601.db2.gz WSHFCQGFLDCNRX-LBPRGKRZSA-N 1 0 387.293 2.655 20 0 GFADRO Cc1ccc(I)cc1NC(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000415510221 563780617 /nfs/dbraw/zinc/78/06/17/563780617.db2.gz XPWFZHKIZSEBAM-OLZOCXBDSA-N 1 0 385.249 2.958 20 0 GFADRO CSc1ccc(NC(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)cc1Cl ZINC000415519784 563781496 /nfs/dbraw/zinc/78/14/96/563781496.db2.gz ODFYPMYVIDCFGF-HNNXBMFYSA-N 1 0 381.929 2.991 20 0 GFADRO O=C(c1ccc(I)c(F)c1)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000365395214 563781766 /nfs/dbraw/zinc/78/17/66/563781766.db2.gz NDFDNRSXVNEQDA-GFCCVEGCSA-N 1 0 388.224 2.741 20 0 GFADRO C[C@H](c1ccccc1)[C@@H]([NH2+]C[C@@H](O)c1ccc(F)c(Br)c1)C(N)=O ZINC000292312414 563782285 /nfs/dbraw/zinc/78/22/85/563782285.db2.gz VLDOERZMIJXHIG-SSKCKEOISA-N 1 0 395.272 2.869 20 0 GFADRO C[C@@H]1C[C@@H](CNC(=O)c2cc(Br)nn2C)C[N@@H+]1Cc1ccccc1 ZINC000365419057 563782524 /nfs/dbraw/zinc/78/25/24/563782524.db2.gz AABGRCMRQDSTAH-HIFRSBDPSA-N 1 0 391.313 2.823 20 0 GFADRO C[NH2+][C@@H]1CCN(C(=O)Nc2ccnn2Cc2cccc(Br)c2)C1 ZINC000415527878 563782779 /nfs/dbraw/zinc/78/27/79/563782779.db2.gz ORHDIRKSIHFGMN-CQSZACIVSA-N 1 0 378.274 2.520 20 0 GFADRO C[NH2+]CCC1CCN(C(=O)C(=O)Nc2cc(Br)c(C)cc2C)CC1 ZINC000415547012 563783697 /nfs/dbraw/zinc/78/36/97/563783697.db2.gz FDRVEFVYLNKWCN-UHFFFAOYSA-N 1 0 396.329 2.853 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)NC[C@@]2(C)CCC[NH2+]C2)cc1Br ZINC000415566945 563784336 /nfs/dbraw/zinc/78/43/36/563784336.db2.gz GKYUAIKSXKAHCX-KRWDZBQOSA-N 1 0 382.302 2.510 20 0 GFADRO C[C@]1(CNC(=O)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)CCC[NH2+]C1 ZINC000415565817 563784705 /nfs/dbraw/zinc/78/47/05/563784705.db2.gz FCUXIWQPOHPJRT-HNNXBMFYSA-N 1 0 377.794 2.803 20 0 GFADRO COC(=O)c1c(C)c(NC(=O)N2C[C@@H](C)[C@](C)(C[NH3+])C2)ccc1Br ZINC000415592852 563785508 /nfs/dbraw/zinc/78/55/08/563785508.db2.gz CVNDIPWFZHEREE-BMLIUANNSA-N 1 0 398.301 2.993 20 0 GFADRO COc1ccc(NC(=O)N[C@H]2CCC[C@H]([NH3+])C2)c(I)c1 ZINC000415595401 563786302 /nfs/dbraw/zinc/78/63/02/563786302.db2.gz KJBWCZQWNXFTPS-UWVGGRQHSA-N 1 0 389.237 2.691 20 0 GFADRO C[NH2+]CCNC(=O)Nc1cc(OC)c(Br)cc1Br ZINC000415595455 563786465 /nfs/dbraw/zinc/78/64/65/563786465.db2.gz WWOAGXIXOJFOCD-UHFFFAOYSA-N 1 0 381.068 2.561 20 0 GFADRO COC(=O)c1c(Br)ccc(NC(=O)N[C@H]2CC[NH2+]C[C@@H]2C)c1C ZINC000415602647 563786907 /nfs/dbraw/zinc/78/69/07/563786907.db2.gz SEPNJXXZHLDRES-CABZTGNLSA-N 1 0 384.274 2.664 20 0 GFADRO COC(=O)c1cc(NC(=O)N2C[C@@H](C[NH3+])C[C@H]2C)cc(Br)c1F ZINC000415615189 563788202 /nfs/dbraw/zinc/78/82/02/563788202.db2.gz QKLOXEIUNLTKLI-RKDXNWHRSA-N 1 0 388.237 2.576 20 0 GFADRO C[NH+](C)CC(C)(C)CN(C(=O)Cc1ccon1)c1ccc(Br)cn1 ZINC000415615007 563788321 /nfs/dbraw/zinc/78/83/21/563788321.db2.gz QDOVIVKHTBUCOY-UHFFFAOYSA-N 1 0 395.301 2.996 20 0 GFADRO CC(C)c1cc(Br)ccc1NC(=O)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000415638419 563789268 /nfs/dbraw/zinc/78/92/68/563789268.db2.gz BNFTWEIJQURIHF-OLZOCXBDSA-N 1 0 382.302 2.897 20 0 GFADRO OC[C@H](C[NH2+]Cc1cnn(CC(F)F)c1)Cc1cccc(Br)c1 ZINC000292494445 563789336 /nfs/dbraw/zinc/78/93/36/563789336.db2.gz BXOWVMGRDIOYOQ-ZDUSSCGKSA-N 1 0 388.256 2.852 20 0 GFADRO CC(C)Oc1ccc(Br)cc1NC(=O)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000415637883 563789394 /nfs/dbraw/zinc/78/93/94/563789394.db2.gz AUXXUZSPPAQTGZ-QWHCGFSZSA-N 1 0 398.301 2.561 20 0 GFADRO CC[NH2+][C@H](C)CNC(=O)C(=O)Nc1ccc(Br)c2ccccc12 ZINC000415652180 563790012 /nfs/dbraw/zinc/79/00/12/563790012.db2.gz CVPCZCDADSYRDN-LLVKDONJSA-N 1 0 378.270 2.655 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C[N@@H+]1CC[C@@H]2C(=O)NC[C@H]2C1 ZINC000365655048 563790084 /nfs/dbraw/zinc/79/00/84/563790084.db2.gz UBUHHWYELVHMGF-GUYCJALGSA-N 1 0 389.297 2.511 20 0 GFADRO C[C@H]1CCCN(C(=O)Nc2ccnn2-c2ccc(Br)cn2)[C@H]1C[NH3+] ZINC000415639748 563790191 /nfs/dbraw/zinc/79/01/91/563790191.db2.gz QGSIDBICLSCUNA-AAEUAGOBSA-N 1 0 393.289 2.621 20 0 GFADRO O=C(Cc1cc[nH]c(=O)c1Br)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000365674697 563790772 /nfs/dbraw/zinc/79/07/72/563790772.db2.gz IXZKMFDQLXSWSL-HIFRSBDPSA-N 1 0 394.313 2.568 20 0 GFADRO CC(C)c1cc(Br)ccc1NC(=O)C(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000415666758 563790878 /nfs/dbraw/zinc/79/08/78/563790878.db2.gz XHUPMOWLTHLJRH-RISCZKNCSA-N 1 0 382.302 2.625 20 0 GFADRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)Nc1ccc(-c2ccc(Cl)s2)nc1 ZINC000415659640 563790887 /nfs/dbraw/zinc/79/08/87/563790887.db2.gz SMGNWRWCMLKVNW-PWSUYJOCSA-N 1 0 378.885 2.516 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)C(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000415678274 563791149 /nfs/dbraw/zinc/79/11/49/563791149.db2.gz PWPPZMDYFJIXNU-CQSZACIVSA-N 1 0 382.302 2.590 20 0 GFADRO COc1ccc(C[NH+]2CCC3(CCN(C)C3=O)CC2)c(Br)c1OC ZINC000365731876 563791213 /nfs/dbraw/zinc/79/12/13/563791213.db2.gz DFPCYKVUYAIJNL-UHFFFAOYSA-N 1 0 397.313 2.911 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)C(=O)Nc2ccc(Br)c3ccccc23)CC[NH2+]1 ZINC000415685671 563791326 /nfs/dbraw/zinc/79/13/26/563791326.db2.gz URCUEMQEOKKQFD-VXGBXAGGSA-N 1 0 390.281 2.798 20 0 GFADRO [NH3+]CCN(CCO)C(=O)Nc1ncc(Cc2cc(Cl)ccc2Cl)s1 ZINC000415710211 563792877 /nfs/dbraw/zinc/79/28/77/563792877.db2.gz KYWKRDACKDASPJ-UHFFFAOYSA-N 1 0 389.308 2.826 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)C(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000415729736 563793249 /nfs/dbraw/zinc/79/32/49/563793249.db2.gz SWZVYAPYDROVSX-GOSISDBHSA-N 1 0 394.313 2.552 20 0 GFADRO CC(C)Sc1c(Cl)cccc1NC(=O)C(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000415748733 563793989 /nfs/dbraw/zinc/79/39/89/563793989.db2.gz PYVXZNICBFDQGC-QWHCGFSZSA-N 1 0 381.929 2.847 20 0 GFADRO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)Nc1ccn(-c2ccc(Br)cc2)n1 ZINC000415762545 563794920 /nfs/dbraw/zinc/79/49/20/563794920.db2.gz WMKCCSFKUSOVRU-SWLSCSKDSA-N 1 0 392.301 3.274 20 0 GFADRO COc1c(Cl)cc(NC(=O)C(=O)N2CCC3(CC[NH2+]C3)CC2)cc1Cl ZINC000415764087 563794971 /nfs/dbraw/zinc/79/49/71/563794971.db2.gz JBVIWMHQEYBASY-UHFFFAOYSA-N 1 0 386.279 2.543 20 0 GFADRO CC(C)(CCC[NH3+])NC(=O)C(=O)Nc1cc(F)c(Br)c(Cl)c1 ZINC000415760449 563795199 /nfs/dbraw/zinc/79/51/99/563795199.db2.gz MXSOBOXSXDWDMU-UHFFFAOYSA-N 1 0 394.672 2.814 20 0 GFADRO O=C(Nc1ccc(Cl)cc1C(F)(F)F)C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000415773258 563795630 /nfs/dbraw/zinc/79/56/30/563795630.db2.gz VPIUPYOBGJNJKN-CABZTGNLSA-N 1 0 375.778 2.508 20 0 GFADRO Cn1cc(Br)c(C(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)n1 ZINC000292804458 563795665 /nfs/dbraw/zinc/79/56/65/563795665.db2.gz NRFPRZGAFIUPMA-HNNXBMFYSA-N 1 0 377.286 2.750 20 0 GFADRO O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000415766803 563795798 /nfs/dbraw/zinc/79/57/98/563795798.db2.gz MHPCSIZMGAVQQL-ZANVPECISA-N 1 0 375.778 2.508 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)C(=O)NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000415798883 563796923 /nfs/dbraw/zinc/79/69/23/563796923.db2.gz BOIUPGMAESMJCK-FZMZJTMJSA-N 1 0 382.302 2.584 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)C(=O)NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000415798884 563797095 /nfs/dbraw/zinc/79/70/95/563797095.db2.gz BOIUPGMAESMJCK-RISCZKNCSA-N 1 0 382.302 2.584 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H](CNC(=O)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)C1 ZINC000415807122 563797500 /nfs/dbraw/zinc/79/75/00/563797500.db2.gz KXRNHVIYEQTGEB-MWLCHTKSSA-N 1 0 377.794 2.931 20 0 GFADRO O=C(NCCC[C@H]1CCC[NH2+]1)C(=O)Nc1cc(Cl)cc(C(F)(F)F)c1 ZINC000415810361 563797606 /nfs/dbraw/zinc/79/76/06/563797606.db2.gz WUDOXRCWNHSSEF-GFCCVEGCSA-N 1 0 377.794 2.946 20 0 GFADRO O=C(Nc1cc(Cl)c(Cl)cc1F)C(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000415812950 563797698 /nfs/dbraw/zinc/79/76/98/563797698.db2.gz BHWUUJIYIANZQH-MNOVXSKESA-N 1 0 388.270 2.919 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)C(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000415805868 563797706 /nfs/dbraw/zinc/79/77/06/563797706.db2.gz ODFFWSPVXPFHFT-AWEZNQCLSA-N 1 0 382.302 2.598 20 0 GFADRO CN(CC[NH3+])C(=O)Nc1cnn(Cc2ccc(Br)cc2Cl)c1 ZINC000415821848 563798258 /nfs/dbraw/zinc/79/82/58/563798258.db2.gz OFSVYOMYCBQYOD-UHFFFAOYSA-N 1 0 386.681 2.770 20 0 GFADRO [NH3+]CC[C@@H](NC(=O)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(F)(F)F ZINC000415841382 563798783 /nfs/dbraw/zinc/79/87/83/563798783.db2.gz QPOGNFMYTTXDGC-SECBINFHSA-N 1 0 391.699 2.693 20 0 GFADRO Cc1cc(Br)cc(Cl)c1NC(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000415833500 563798794 /nfs/dbraw/zinc/79/87/94/563798794.db2.gz KCRQDXDKUULZJQ-ONGXEEELSA-N 1 0 388.693 2.593 20 0 GFADRO O[C@@H](COc1cc(Cl)ccc1Cl)CN1CC[NH+]([C@H]2CCSC2)CC1 ZINC000366092357 563798958 /nfs/dbraw/zinc/79/89/58/563798958.db2.gz DRPSKPYNJBWFDO-LSDHHAIUSA-N 1 0 391.364 2.856 20 0 GFADRO Cc1cc(NC(=O)C(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)ccc1Br ZINC000415855553 563799466 /nfs/dbraw/zinc/79/94/66/563799466.db2.gz OVWCYEWATKRGAW-KGLIPLIRSA-N 1 0 394.313 2.544 20 0 GFADRO [NH3+]CC[C@H](NC(=O)C(=O)Nc1ncc(C2CCCCC2)s1)C(F)(F)F ZINC000415846586 563799470 /nfs/dbraw/zinc/79/94/70/563799470.db2.gz WEHBWVUBPBGMKA-NSHDSACASA-N 1 0 378.420 2.525 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000415846731 563799758 /nfs/dbraw/zinc/79/97/58/563799758.db2.gz TVCFAROIUKKJFI-OAHLLOKOSA-N 1 0 382.302 2.584 20 0 GFADRO CC(C)Sc1ccc(Cl)cc1NC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000415895855 563800175 /nfs/dbraw/zinc/80/01/75/563800175.db2.gz QBKZWADECPXQEH-STQMWFEESA-N 1 0 381.929 2.847 20 0 GFADRO Cc1ccc([C@H](CNC(=O)c2nn(C)cc2Br)[NH+]2CCCC2)o1 ZINC000293080353 563800670 /nfs/dbraw/zinc/80/06/70/563800670.db2.gz OWDIGVAABFLQHI-ZDUSSCGKSA-N 1 0 381.274 2.651 20 0 GFADRO C[C@H](Cc1cccc(Br)c1)NC(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000415996993 563801651 /nfs/dbraw/zinc/80/16/51/563801651.db2.gz QOVSAMOPYWOKJN-BXKDBHETSA-N 1 0 382.224 2.959 20 0 GFADRO C[C@@H](CNC(=O)N[C@H](CC[NH3+])C(F)(F)F)Oc1ccc(Br)cc1 ZINC000416016717 563802667 /nfs/dbraw/zinc/80/26/67/563802667.db2.gz XMGOPXGFLNDQOQ-JOYOIKCWSA-N 1 0 398.223 2.795 20 0 GFADRO [NH3+]CC[C@@H](NC(=O)N1CCc2c(F)ccc(Br)c2C1)C(F)(F)F ZINC000416047508 563804004 /nfs/dbraw/zinc/80/40/04/563804004.db2.gz PDVQTZLKLIMEHK-GFCCVEGCSA-N 1 0 398.198 2.936 20 0 GFADRO O=C(Nc1nccn1Cc1ccc(Br)cc1)[C@@H]1C[NH+]2CCC1CC2 ZINC000366295658 563804891 /nfs/dbraw/zinc/80/48/91/563804891.db2.gz MVSHPYOALGQOJG-MRXNPFEDSA-N 1 0 389.297 2.974 20 0 GFADRO O=C(NC[C@H]1CSCCS1)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000366299821 563804962 /nfs/dbraw/zinc/80/49/62/563804962.db2.gz CUHWEIWOKVAVCG-RUXDESIVSA-N 1 0 397.532 2.940 20 0 GFADRO COc1cc(Br)ccc1C(=O)N1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000366437684 563808463 /nfs/dbraw/zinc/80/84/63/563808463.db2.gz LVPYVBOQBOGEBF-FRFSOERESA-N 1 0 397.313 2.781 20 0 GFADRO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)Nc1cc(Br)c(=O)n(C)c1 ZINC000443605026 563808804 /nfs/dbraw/zinc/80/88/04/563808804.db2.gz UJXQNRLXOHGWFJ-AWEZNQCLSA-N 1 0 399.333 2.780 20 0 GFADRO Cc1nc(C(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)nn1-c1c(Cl)cccc1Cl ZINC000293370823 563810253 /nfs/dbraw/zinc/81/02/53/563810253.db2.gz KXIGTLXDCXJKBC-SMDDNHRTSA-N 1 0 380.279 2.707 20 0 GFADRO CCCC[N@H+](C)CCNC(=O)C(=O)Nc1cc(F)cc(F)c1Br ZINC000443729844 563811239 /nfs/dbraw/zinc/81/12/39/563811239.db2.gz FZOPORWUQWDGRT-UHFFFAOYSA-N 1 0 392.244 2.514 20 0 GFADRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NS(=O)(=O)c1ccc(Br)c(Cl)c1 ZINC000443766278 563811758 /nfs/dbraw/zinc/81/17/58/563811758.db2.gz ULFIXOLATLHSOF-XPTSAGLGSA-N 1 0 393.734 2.864 20 0 GFADRO C[NH+](C)C1(CNC(=O)[C@@H](c2ccc(Br)cc2)N2CCCC2)CC1 ZINC000416308498 563814921 /nfs/dbraw/zinc/81/49/21/563814921.db2.gz RENTXEKALOVBLY-MRXNPFEDSA-N 1 0 380.330 2.796 20 0 GFADRO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000293492401 563815086 /nfs/dbraw/zinc/81/50/86/563815086.db2.gz RZUMBHONFRBRPY-RISCZKNCSA-N 1 0 391.265 2.688 20 0 GFADRO O=C1CCCN1CC[NH2+]C1(Cc2ccc(F)cc2Br)CCOCC1 ZINC000293571073 563818649 /nfs/dbraw/zinc/81/86/49/563818649.db2.gz MYPSJCCKOJIZGG-UHFFFAOYSA-N 1 0 399.304 2.892 20 0 GFADRO CC[C@@H](CO)[NH+]1CCN(C(=O)Nc2cc(Cl)c(OC)c(Cl)c2)CC1 ZINC000444023401 563818695 /nfs/dbraw/zinc/81/86/95/563818695.db2.gz KATNRNSJIFWHFT-LBPRGKRZSA-N 1 0 376.284 2.922 20 0 GFADRO Cc1nn(C)c(C[NH2+][C@@H]2CCN(c3ncccc3Cl)C2)c1Br ZINC000366764156 563819209 /nfs/dbraw/zinc/81/92/09/563819209.db2.gz ULDDHSPZJIAHOW-LLVKDONJSA-N 1 0 384.709 2.908 20 0 GFADRO C[C@@H]([NH2+]C1(Cc2ccc(F)cc2Br)CCOCC1)C(=O)N(C)C ZINC000293584827 563819534 /nfs/dbraw/zinc/81/95/34/563819534.db2.gz NXLMTTBWDHOKJG-GFCCVEGCSA-N 1 0 387.293 2.746 20 0 GFADRO COc1cc(OC)c(S(=O)(=O)N2CCC([NH+]3CCCC3)CC2)cc1Cl ZINC000416378880 563819659 /nfs/dbraw/zinc/81/96/59/563819659.db2.gz YUNQEBFTOONMSW-UHFFFAOYSA-N 1 0 388.917 2.606 20 0 GFADRO O=S(=O)(c1ccc(C(F)(F)F)cc1F)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000444068121 563820181 /nfs/dbraw/zinc/82/01/81/563820181.db2.gz FOJGQOIFGWKXOQ-GFCCVEGCSA-N 1 0 380.407 2.951 20 0 GFADRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2S(=O)(=O)c2ccc(C(F)(F)F)cc2F)C1 ZINC000444083176 563820753 /nfs/dbraw/zinc/82/07/53/563820753.db2.gz JQGZIYFDWQJQGW-FZMZJTMJSA-N 1 0 380.407 2.949 20 0 GFADRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2S(=O)(=O)c2ccc(C(F)(F)F)cc2F)C1 ZINC000444083178 563820808 /nfs/dbraw/zinc/82/08/08/563820808.db2.gz JQGZIYFDWQJQGW-SMDDNHRTSA-N 1 0 380.407 2.949 20 0 GFADRO CC[N@H+](CCNS(=O)(=O)c1cnn(-c2ccc(Cl)cc2)c1C)C(C)C ZINC000444165302 563823175 /nfs/dbraw/zinc/82/31/75/563823175.db2.gz HTOCKBXVPHCMBB-UHFFFAOYSA-N 1 0 384.933 2.843 20 0 GFADRO CS[C@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2F)C[C@@H]1[NH+](C)C ZINC000444213250 563824812 /nfs/dbraw/zinc/82/48/12/563824812.db2.gz NGOLNHRXVXTWFY-RYUDHWBXSA-N 1 0 386.436 2.511 20 0 GFADRO O=C(NCC[C@H]1CCC[NH2+]1)[C@@H](c1ccc(Cl)cc1Cl)N1CCOCC1 ZINC000444269458 563826090 /nfs/dbraw/zinc/82/60/90/563826090.db2.gz PURJJJKRLIOSBU-RHSMWYFYSA-N 1 0 386.323 2.625 20 0 GFADRO COc1cc(S(=O)(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)ccc1Cl ZINC000416443452 563829517 /nfs/dbraw/zinc/82/95/17/563829517.db2.gz ZIWZXVSIHHKSIY-CXAGYDPISA-N 1 0 384.929 2.986 20 0 GFADRO CN(CCOc1ccc(S(N)(=O)=O)cc1)Cc1ccnc(Cl)c1Cl ZINC000294078948 563831029 /nfs/dbraw/zinc/83/10/29/563831029.db2.gz YXHANDPTRJCXKZ-UHFFFAOYSA-N 1 0 390.292 2.547 20 0 GFADRO CN(C)CC[N@H+](C)CCCN(C)C(=O)Nc1nnc(-c2ccsc2)s1 ZINC000294250208 563836261 /nfs/dbraw/zinc/83/62/61/563836261.db2.gz PNPITEISTXUUBI-UHFFFAOYSA-N 1 0 382.559 2.614 20 0 GFADRO Cn1cc(Br)c(C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)n1 ZINC000294412872 563841806 /nfs/dbraw/zinc/84/18/06/563841806.db2.gz TVOVYCUSCFVMAO-CQSZACIVSA-N 1 0 377.286 2.577 20 0 GFADRO CC[NH+](CC)CCS(=O)(=O)N1CCC[C@H]1c1ccc(Br)cn1 ZINC000416521845 563842210 /nfs/dbraw/zinc/84/22/10/563842210.db2.gz DFLVUKGEUBGWDA-HNNXBMFYSA-N 1 0 390.347 2.653 20 0 GFADRO COc1cc(Br)c(C(=O)NCC[N@@H+]2CCC[C@H](C)C2)cc1OC ZINC000294474683 563843981 /nfs/dbraw/zinc/84/39/81/563843981.db2.gz MKMBMIJNVDCZJA-LBPRGKRZSA-N 1 0 385.302 2.928 20 0 GFADRO CC[NH+](CC)CCCNC(=O)[C@H]1CC(=O)Nc2ccc(Br)cc21 ZINC000445246369 563845950 /nfs/dbraw/zinc/84/59/50/563845950.db2.gz DPKAXGJXSPTOQA-AWEZNQCLSA-N 1 0 382.302 2.723 20 0 GFADRO CC[C@@H]([NH2+]C1CCC(CS(C)(=O)=O)CC1)[C@H](O)c1c(F)cccc1F ZINC000294638075 563849549 /nfs/dbraw/zinc/84/95/49/563849549.db2.gz GCMZCJZNJWPDDY-CVYQIYGSSA-N 1 0 375.481 2.970 20 0 GFADRO O=C1CCc2cc(Cl)c(S(=O)(=O)N3CCC([C@H]4CCC[NH2+]4)CC3)cc21 ZINC000367604680 563849743 /nfs/dbraw/zinc/84/97/43/563849743.db2.gz BYDMVIRUILCFGJ-MRXNPFEDSA-N 1 0 382.913 2.622 20 0 GFADRO O=C(c1cn2ccc(Br)cc2n1)N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000367613397 563849817 /nfs/dbraw/zinc/84/98/17/563849817.db2.gz CKWBCQWALMVOLY-BJJXKVORSA-N 1 0 389.297 2.653 20 0 GFADRO CN(CC1([NH+](C)C)CCC1)S(=O)(=O)c1ccc(F)c(Br)c1 ZINC000445705953 563852679 /nfs/dbraw/zinc/85/26/79/563852679.db2.gz YVDYQJDVDQWKBS-UHFFFAOYSA-N 1 0 379.295 2.693 20 0 GFADRO C[NH+](C)CCN1CCN(C(=O)CCC(=O)c2cc(Cl)sc2Cl)CC1 ZINC000445770541 563854624 /nfs/dbraw/zinc/85/46/24/563854624.db2.gz ZPVVVXQKGLBEKC-UHFFFAOYSA-N 1 0 392.352 2.724 20 0 GFADRO CCOC(=O)C1(NC(=O)/C=C/c2ccc(Br)cc2)CC[NH+](C)CC1 ZINC000367785393 563855244 /nfs/dbraw/zinc/85/52/44/563855244.db2.gz UDQPIPJESPGDSA-RMKNXTFCSA-N 1 0 395.297 2.606 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)c(C)c1C[N@@H+]1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000367797796 563856165 /nfs/dbraw/zinc/85/61/65/563856165.db2.gz MCTXPWCETYZLTP-PIIMJCKOSA-N 1 0 376.298 2.922 20 0 GFADRO COC(=O)c1c(Cl)cccc1S(=O)(=O)N(C)C(C)(C)C[NH+]1CCCC1 ZINC000416660711 563859304 /nfs/dbraw/zinc/85/93/04/563859304.db2.gz KPDYNFHKKSPWTL-UHFFFAOYSA-N 1 0 388.917 2.622 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)NCC2([NH+](C)C)CCC2)cc1Br ZINC000446167539 563859574 /nfs/dbraw/zinc/85/95/74/563859574.db2.gz IOFDNRMDRAFHHH-UHFFFAOYSA-N 1 0 382.302 2.605 20 0 GFADRO O=C(N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1)c1c[nH]c(=O)c(Br)c1 ZINC000367943246 563860027 /nfs/dbraw/zinc/86/00/27/563860027.db2.gz RWANRPQYBKIEQD-ZFWWWQNUSA-N 1 0 394.244 2.564 20 0 GFADRO C[C@@H](NC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1cccc(Cl)c1 ZINC000416836855 563861849 /nfs/dbraw/zinc/86/18/49/563861849.db2.gz WIEREGAJFDCDSA-BXUZGUMPSA-N 1 0 378.826 2.536 20 0 GFADRO O=C(Cc1ccccc1I)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000368024171 563862107 /nfs/dbraw/zinc/86/21/07/563862107.db2.gz VLWJHMGWSOMKIY-GDBMZVCRSA-N 1 0 398.288 2.824 20 0 GFADRO [NH3+]CCNC(=O)NC[C@H](c1ccc(Cl)cc1)N1CCc2sccc2C1 ZINC000416994143 563865448 /nfs/dbraw/zinc/86/54/48/563865448.db2.gz JMJJIOITVMJQAB-MRXNPFEDSA-N 1 0 378.929 2.759 20 0 GFADRO CC[N@H+](CCNC(=O)C(=O)Nc1cc2c(cc1Br)CCC2)C(C)C ZINC000446564704 563865698 /nfs/dbraw/zinc/86/56/98/563865698.db2.gz LKLLTERENZAYAB-UHFFFAOYSA-N 1 0 396.329 2.723 20 0 GFADRO COC(=O)[C@@H]1CN(C(=O)Nc2cc(Cl)c(F)c(Cl)c2)CC[N@H+](C)C1 ZINC000417053553 563866634 /nfs/dbraw/zinc/86/66/34/563866634.db2.gz FBTUHTUPUSXIMW-VIFPVBQESA-N 1 0 378.231 2.701 20 0 GFADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)Nc1cc2c(cc1Br)CCC2 ZINC000446680894 563867774 /nfs/dbraw/zinc/86/77/74/563867774.db2.gz DPKIZLYSHCGKBU-LBPRGKRZSA-N 1 0 396.329 2.723 20 0 GFADRO O=S(=O)(c1cc(Br)cc2c1OCC2)N1CCC[C@H]1c1ncc[nH]1 ZINC000368285887 563867970 /nfs/dbraw/zinc/86/79/70/563867970.db2.gz RDNYOGAWWXYERM-LBPRGKRZSA-N 1 0 398.282 2.633 20 0 GFADRO O=C(c1cc(=O)[nH]c2c(Br)cccc12)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000368387588 563870136 /nfs/dbraw/zinc/87/01/36/563870136.db2.gz KGDNAPWHKAQZOU-QMTHXVAHSA-N 1 0 376.254 2.527 20 0 GFADRO CC[C@@H]1C[N@H+](CC(=O)N2CCc3sccc3[C@@H]2c2cccs2)C[C@@H]1O ZINC000368426523 563870701 /nfs/dbraw/zinc/87/07/01/563870701.db2.gz WKPCXLGXKAPVCZ-FRIZHTMISA-N 1 0 376.547 2.986 20 0 GFADRO CC(C)[C@H]([NH3+])CNC(=O)N[C@@H](C)c1cc2c(cc1Br)OCCO2 ZINC000417184307 563871524 /nfs/dbraw/zinc/87/15/24/563871524.db2.gz SGDHHVQDKKWUGR-GXFFZTMASA-N 1 0 386.290 2.564 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)NCCOc3cccc(Br)c3)C[C@H]21 ZINC000417204675 563873084 /nfs/dbraw/zinc/87/30/84/563873084.db2.gz GALPDRXCBSVYTH-DAXOMENPSA-N 1 0 382.302 2.597 20 0 GFADRO COc1ccc(Br)cc1C[NH2+][C@H]1CCCN(c2ccnn2C)C1 ZINC000447073627 563874442 /nfs/dbraw/zinc/87/44/42/563874442.db2.gz XMKOBCTXBIOGDT-HNNXBMFYSA-N 1 0 379.302 2.950 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H](NC(=O)NC[C@H]2CCN(c3cccc(Br)c3)C2)C1 ZINC000417256994 563875125 /nfs/dbraw/zinc/87/51/25/563875125.db2.gz BXMWRMPETYMAPO-FVQBIDKESA-N 1 0 395.345 2.845 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCN(C(=O)NC[C@H]2CCN(c3cccc(Br)c3)C2)C1 ZINC000417257648 563875130 /nfs/dbraw/zinc/87/51/30/563875130.db2.gz CVGVFOOXTORAJM-ZNMIVQPWSA-N 1 0 395.345 2.654 20 0 GFADRO [NH3+]CC[C@@H](NC(=O)NCC1(c2cccc(Cl)c2)CCOCC1)C(F)F ZINC000417238932 563875372 /nfs/dbraw/zinc/87/53/72/563875372.db2.gz MXGKOPVKJBRCKL-CQSZACIVSA-N 1 0 375.847 2.670 20 0 GFADRO CC(C)C[C@@H](C[NH3+])NC(=O)NC[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000417268014 563875629 /nfs/dbraw/zinc/87/56/29/563875629.db2.gz YPKKIYXSRHRHAS-HOCLYGCPSA-N 1 0 397.361 2.948 20 0 GFADRO C[C@@H]1CN(S(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C[C@H]1[NH3+] ZINC000447241820 563877751 /nfs/dbraw/zinc/87/77/51/563877751.db2.gz CPABSSMOFFAALX-RDDDGLTNSA-N 1 0 376.322 2.692 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)N[C@@H](C)CCCC[NH3+] ZINC000417371205 563878507 /nfs/dbraw/zinc/87/85/07/563878507.db2.gz VEJFXKLCSFVCNL-ZDUSSCGKSA-N 1 0 399.333 2.903 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)N[C@@H](C[NH3+])CC(C)C ZINC000417370657 563878895 /nfs/dbraw/zinc/87/88/95/563878895.db2.gz UIECFMXDUZPAKA-CQSZACIVSA-N 1 0 399.333 2.759 20 0 GFADRO CC1(NC(=O)NCc2cc(Br)ccc2OC(F)F)CC[NH2+]CC1 ZINC000417407032 563879281 /nfs/dbraw/zinc/87/92/81/563879281.db2.gz LTQBOABDEGVKNT-UHFFFAOYSA-N 1 0 392.244 2.992 20 0 GFADRO CC[C@@H]([NH2+][C@@H]1CCN(CC(F)F)C1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000417394196 563879282 /nfs/dbraw/zinc/87/92/82/563879282.db2.gz VIQSUIBECHDHFE-TZMCWYRMSA-N 1 0 395.903 2.628 20 0 GFADRO C[C@H]1CN(C(=O)NCc2cc(Br)ccc2OC(F)F)[C@@H](C)C[NH2+]1 ZINC000417407428 563879300 /nfs/dbraw/zinc/87/93/00/563879300.db2.gz MXOHOVWDUUQGQP-UWVGGRQHSA-N 1 0 392.244 2.942 20 0 GFADRO C[NH2+]C[C@H](C)CNC(=O)NCc1cc(Br)ccc1OC(F)F ZINC000417408210 563879572 /nfs/dbraw/zinc/87/95/72/563879572.db2.gz OASCPLIDABITQP-VIFPVBQESA-N 1 0 380.233 2.705 20 0 GFADRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)NCc1cc(Br)ccc1OC(F)F ZINC000417409987 563879778 /nfs/dbraw/zinc/87/97/78/563879778.db2.gz QVMNKUUWFWRFKR-KWQFWETISA-N 1 0 378.217 2.682 20 0 GFADRO [NH3+][C@@H](CNC(=O)NCC1(c2ccc(Br)cc2)CCOCC1)C1CC1 ZINC000417435399 563880270 /nfs/dbraw/zinc/88/02/70/563880270.db2.gz YNCWWESERKLXOE-INIZCTEOSA-N 1 0 396.329 2.534 20 0 GFADRO [NH3+][C@@H]1CCC[C@H](CNC(=O)N[C@H]2CCN(c3ccc(Br)cc3)C2)C1 ZINC000417484420 563881076 /nfs/dbraw/zinc/88/10/76/563881076.db2.gz UREMMXAZYUDGPD-IMJJTQAJSA-N 1 0 395.345 2.845 20 0 GFADRO COCC[C@]1([NH2+]CC(=O)Nc2ccc(Br)cc2Cl)CCOC1 ZINC000447398293 563881198 /nfs/dbraw/zinc/88/11/98/563881198.db2.gz SDEPLSLFXBJKCZ-HNNXBMFYSA-N 1 0 391.693 2.826 20 0 GFADRO C[C@]([NH3+])(C(=O)NCc1cc(Br)c2c(c1)OCCO2)c1ccccc1 ZINC000447434159 563881805 /nfs/dbraw/zinc/88/18/05/563881805.db2.gz DXKAKNCXMPOSGB-GOSISDBHSA-N 1 0 391.265 2.711 20 0 GFADRO Cc1ncsc1CN(C[C@@H]1CC[NH2+]C1)C(=O)c1ccc(Br)cn1 ZINC000447443838 563881884 /nfs/dbraw/zinc/88/18/84/563881884.db2.gz WWLARGUUQSKGGQ-GFCCVEGCSA-N 1 0 395.326 2.861 20 0 GFADRO C[C@@H](CO)[N@@H+]1CCCN(CC(=O)Nc2c(Cl)cc(Cl)cc2Cl)CC1 ZINC000368963766 563882776 /nfs/dbraw/zinc/88/27/76/563882776.db2.gz LIMUIUOQVNGZJK-NSHDSACASA-N 1 0 394.730 2.974 20 0 GFADRO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1NCc1ccc(S(C)(=O)=O)c(C(F)(F)F)c1 ZINC000447556124 563882791 /nfs/dbraw/zinc/88/27/91/563882791.db2.gz FBSXEROLLYAINV-XUJVJEKNSA-N 1 0 378.460 2.927 20 0 GFADRO O=C(NC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1)N1CCC[NH2+]CC1 ZINC000417566194 563883192 /nfs/dbraw/zinc/88/31/92/563883192.db2.gz ICFASANNAYPVHW-UHFFFAOYSA-N 1 0 385.339 2.963 20 0 GFADRO Clc1ccc(Cl)c([C@@H](NCc2nnc3n2CCOC3)[C@@H]2CCOC2)c1 ZINC000368989713 563883727 /nfs/dbraw/zinc/88/37/27/563883727.db2.gz KCQHTORCDVPXGB-DIFFPNOSSA-N 1 0 383.279 2.983 20 0 GFADRO O=C(N1CCC([NH+]2CCCC2)CC1)C1(c2cncc(Br)c2)CC1 ZINC000369063138 563885700 /nfs/dbraw/zinc/88/57/00/563885700.db2.gz IWCLOEXQHUJSOL-UHFFFAOYSA-N 1 0 378.314 2.963 20 0 GFADRO C[N@@H+]1CCCC(C)(C)[C@@H]1CN[C@H](C(N)=O)c1ccc(Br)cc1F ZINC000447797605 563886559 /nfs/dbraw/zinc/88/65/59/563886559.db2.gz LNMUNESKZKAXHJ-GJZGRUSLSA-N 1 0 386.309 2.825 20 0 GFADRO CCC[NH+]1CCC(N(C)S(=O)(=O)c2ccc(OC(F)F)c(F)c2)CC1 ZINC000447824061 563887229 /nfs/dbraw/zinc/88/72/29/563887229.db2.gz ZHJYRMBXVQKPAU-UHFFFAOYSA-N 1 0 380.432 2.922 20 0 GFADRO O=C(N[C@H]1CCc2c1ccc(Cl)c2Cl)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000417709727 563887540 /nfs/dbraw/zinc/88/75/40/563887540.db2.gz UBIGNLDIFBJMQZ-LRDDRELGSA-N 1 0 383.323 2.670 20 0 GFADRO C[C@H](CNC(=O)N1CCC(n2cc(Br)cn2)CC1)C[NH+]1CCCC1 ZINC000369149680 563888003 /nfs/dbraw/zinc/88/80/03/563888003.db2.gz OQNRPQUNIWHZRG-CQSZACIVSA-N 1 0 398.349 2.724 20 0 GFADRO O=C(NCCC[NH+]1CCCCC1)N1CCC(n2cc(Br)cn2)CC1 ZINC000369144875 563888009 /nfs/dbraw/zinc/88/80/09/563888009.db2.gz YIUIOOVZOGPAKO-UHFFFAOYSA-N 1 0 398.349 2.868 20 0 GFADRO CCn1cncc1C[NH+]1CCC(C(=O)Nc2ccc(Br)cn2)CC1 ZINC000417733814 563888097 /nfs/dbraw/zinc/88/80/97/563888097.db2.gz QVSBFFZHUCYZJA-UHFFFAOYSA-N 1 0 392.301 2.911 20 0 GFADRO O=S(=O)(c1ccc(C(F)(F)F)c(F)c1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000447872637 563889627 /nfs/dbraw/zinc/88/96/27/563889627.db2.gz BIXWZBJXCAAGGQ-GFCCVEGCSA-N 1 0 380.407 2.951 20 0 GFADRO CCCN(C(=O)NC[C@@H](C)Oc1ccccc1Br)[C@@H]1CC[NH2+]C1 ZINC000417820319 563889952 /nfs/dbraw/zinc/88/99/52/563889952.db2.gz HGWRHAZZCYJTAU-ZIAGYGMSSA-N 1 0 384.318 3.000 20 0 GFADRO Cc1cc(Br)cc(NC(=O)c2cnn([C@H]3CCC[NH2+]C3)c2)c1N ZINC000417808856 563889973 /nfs/dbraw/zinc/88/99/73/563889973.db2.gz LYKBDOVSBHTHLA-ZDUSSCGKSA-N 1 0 378.274 2.713 20 0 GFADRO CC[N@@H+]1CCCC[C@H]1CNC(=O)N1CCC(n2cc(Br)cn2)CC1 ZINC000369220189 563890179 /nfs/dbraw/zinc/89/01/79/563890179.db2.gz IDWDEBHJNUPHTD-INIZCTEOSA-N 1 0 398.349 2.867 20 0 GFADRO C[C@H](CNC(=O)N[C@H]1C[NH2+]CCC1(F)F)Oc1ccccc1Br ZINC000417827246 563890520 /nfs/dbraw/zinc/89/05/20/563890520.db2.gz PIJFTERWPVLFSA-MFKMUULPSA-N 1 0 392.244 2.513 20 0 GFADRO Cc1nn(C)c(C[NH2+]CCCN(C(=O)C2CCC2)C2CC2)c1Br ZINC000447926468 563890633 /nfs/dbraw/zinc/89/06/33/563890633.db2.gz BIKCOGTWJFALMP-UHFFFAOYSA-N 1 0 383.334 2.762 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)CCC[NH2+][C@H](CO)[C@H]1CCCO1 ZINC000447917886 563890737 /nfs/dbraw/zinc/89/07/37/563890737.db2.gz YSLHYQXTCYJNBR-HZPDHXFCSA-N 1 0 399.329 2.914 20 0 GFADRO C[C@H]([NH2+][C@@H](CO)[C@@H]1CCCO1)C(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000447923642 563890747 /nfs/dbraw/zinc/89/07/47/563890747.db2.gz SXKWUULYAVJYDS-HERUPUMHSA-N 1 0 380.794 2.815 20 0 GFADRO C[C@H](CCC[NH3+])NC(=O)NC1CCN(Cc2ccc(Br)cc2)CC1 ZINC000417886763 563890827 /nfs/dbraw/zinc/89/08/27/563890827.db2.gz KHFSBUMIFNQZBY-CQSZACIVSA-N 1 0 397.361 2.840 20 0 GFADRO C[C@H](CC[NH3+])NC(=O)N[C@H](C)c1nc(-c2ccc(Br)cc2)no1 ZINC000417884303 563890930 /nfs/dbraw/zinc/89/09/30/563890930.db2.gz FVNFBLSPCLYURJ-NXEZZACHSA-N 1 0 382.262 2.597 20 0 GFADRO O=C(NCCc1cc(Cl)ccc1Br)N[C@H]1C[NH2+]CCC1(F)F ZINC000417919325 563891418 /nfs/dbraw/zinc/89/14/18/563891418.db2.gz ZBZWIZYLHHEATM-LBPRGKRZSA-N 1 0 396.663 2.941 20 0 GFADRO COc1cc(C[NH2+][C@@H](CO)[C@@H]2CCCO2)cc(Br)c1OC(F)F ZINC000447991049 563892595 /nfs/dbraw/zinc/89/25/95/563892595.db2.gz TUMFHTYQVWANIS-RYUDHWBXSA-N 1 0 396.228 2.689 20 0 GFADRO Fc1ccc(C[NH2+][C@H]2CCO[C@@]3(CCOC3)C2)c(I)c1 ZINC000417957503 563892700 /nfs/dbraw/zinc/89/27/00/563892700.db2.gz FNCRINSZFQGNKL-ZFWWWQNUSA-N 1 0 391.224 2.858 20 0 GFADRO C[NH2+]C[C@H](C)CNC(=O)NCCCOc1ncc(C(F)(F)F)cc1Cl ZINC000417968656 563892751 /nfs/dbraw/zinc/89/27/51/563892751.db2.gz XRJWULUUNKFRKN-JTQLQIEISA-N 1 0 382.814 2.677 20 0 GFADRO C[C@@H]1CN(C(=O)NC2CCN(Cc3cc(Cl)cc(Cl)c3)CC2)CC[NH2+]1 ZINC000417982108 563893585 /nfs/dbraw/zinc/89/35/85/563893585.db2.gz ARHCOJZKZDEVRX-CYBMUJFWSA-N 1 0 385.339 2.961 20 0 GFADRO CCn1cncc1C[NH2+][C@@H]1CCN(c2ccc(Br)c(C)c2)C1=O ZINC000417986205 563893626 /nfs/dbraw/zinc/89/36/26/563893626.db2.gz DXKPHHCAVIZKBB-MRXNPFEDSA-N 1 0 377.286 2.869 20 0 GFADRO O=C(N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000417976855 563893731 /nfs/dbraw/zinc/89/37/31/563893731.db2.gz BETBWPDBORHHBJ-XNJGSVPQSA-N 1 0 383.323 2.966 20 0 GFADRO CO[C@@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)N1CC[NH2+]C(C)(C)C1 ZINC000417991680 563894206 /nfs/dbraw/zinc/89/42/06/563894206.db2.gz SFUQIEOSEIOBRN-IUODEOHRSA-N 1 0 384.318 2.919 20 0 GFADRO CC[NH2+]CC1CCN(C(=O)NCc2cc(Br)cc3c2OCC3)CC1 ZINC000418004137 563894510 /nfs/dbraw/zinc/89/45/10/563894510.db2.gz CDJULRVQXZPLBD-UHFFFAOYSA-N 1 0 396.329 2.915 20 0 GFADRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)NCCc2c[nH]c3ccc(Br)cc23)C1 ZINC000418002797 563894513 /nfs/dbraw/zinc/89/45/13/563894513.db2.gz MMUOWCUKUVMXDG-BXUZGUMPSA-N 1 0 379.302 2.900 20 0 GFADRO COc1cc(Br)ccc1CCCNC(=O)N1C[C@@H](C)[NH2+]C[C@H]1C ZINC000418007913 563894971 /nfs/dbraw/zinc/89/49/71/563894971.db2.gz RVYZPQGRRJKRST-CHWSQXEVSA-N 1 0 384.318 2.782 20 0 GFADRO Cc1cc(Br)cn2cc(CCNC(=O)N[C@@H]3CCC[C@@H]([NH3+])C3)nc12 ZINC000418021127 563895580 /nfs/dbraw/zinc/89/55/80/563895580.db2.gz OYHZTHLIIDMUGU-ZIAGYGMSSA-N 1 0 394.317 2.517 20 0 GFADRO CCCOC[C@@H](Cc1cccc(Br)c1)NC(=O)N1CC[C@H](C[NH3+])C1 ZINC000418025145 563896156 /nfs/dbraw/zinc/89/61/56/563896156.db2.gz FQCQLZGIDLVEJH-NVXWUHKLSA-N 1 0 398.345 2.777 20 0 GFADRO CC(C)(C)[C@H](O)C[C@@H](CO)[NH2+]Cc1ccc(F)cc1I ZINC000418040325 563896561 /nfs/dbraw/zinc/89/65/61/563896561.db2.gz IUQBEOVWDBMJRI-GXTWGEPZSA-N 1 0 395.256 2.678 20 0 GFADRO C[S@@](=O)C1(C[NH2+]Cc2ccc(F)cc2I)CCC1 ZINC000418051268 563896928 /nfs/dbraw/zinc/89/69/28/563896928.db2.gz YBRWSYKYOMRYQU-GOSISDBHSA-N 1 0 381.254 2.821 20 0 GFADRO O=C(N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1)N[C@H]1C[NH2+]CCC1(F)F ZINC000418055410 563896947 /nfs/dbraw/zinc/89/69/47/563896947.db2.gz BGFJXRHGEBFLDZ-RISCZKNCSA-N 1 0 393.265 2.869 20 0 GFADRO C[NH2+]CCNC(=O)N[C@@H](Cc1ccccn1)c1ccc(Br)cc1 ZINC000418064156 563897360 /nfs/dbraw/zinc/89/73/60/563897360.db2.gz JSUZYUXBNXJOAF-INIZCTEOSA-N 1 0 377.286 2.647 20 0 GFADRO CCn1c(CNC(=O)N[C@H]2CC[NH2+]C[C@H]2C)nc2cc(Br)ccc21 ZINC000418067853 563897519 /nfs/dbraw/zinc/89/75/19/563897519.db2.gz PLBBGWUTBPASGC-YPMHNXCESA-N 1 0 394.317 2.616 20 0 GFADRO C[NH2+]C[C@H](C)CNC(=O)N[C@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O ZINC000418076168 563897670 /nfs/dbraw/zinc/89/76/70/563897670.db2.gz GDUOXTVWQVYKFV-FZMZJTMJSA-N 1 0 387.311 2.644 20 0 GFADRO C[NH+](C)CCN1CCN(C(=O)c2cc3ccc(Br)cc3s2)CC1 ZINC000448600459 563898698 /nfs/dbraw/zinc/89/86/98/563898698.db2.gz HGSLCLVEIIIDDX-UHFFFAOYSA-N 1 0 396.354 2.983 20 0 GFADRO [NH3+]CC[C@H]1CCCN(C(=O)N[C@H]2CCN(c3cccc(Br)c3)C2)C1 ZINC000418106942 563898908 /nfs/dbraw/zinc/89/89/08/563898908.db2.gz YNJSYCKPHHFVHV-ZBFHGGJFSA-N 1 0 395.345 2.798 20 0 GFADRO O=C(N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000418110681 563898913 /nfs/dbraw/zinc/89/89/13/563898913.db2.gz JTAFXCUEDQKNRV-DVOMOZLQSA-N 1 0 382.277 2.980 20 0 GFADRO C[C@H](CCc1ccc(I)cc1)NC(=O)NC(C)(C)C[NH3+] ZINC000418109844 563899044 /nfs/dbraw/zinc/89/90/44/563899044.db2.gz AETAWXKJFVRBNV-LLVKDONJSA-N 1 0 389.281 2.649 20 0 GFADRO C[C@@H]([NH3+])[C@@H](C)NC(=O)N[C@H](C)CCc1ccc(I)cc1 ZINC000418119138 563899381 /nfs/dbraw/zinc/89/93/81/563899381.db2.gz XGUDMYBKMLVNLJ-IJLUTSLNSA-N 1 0 389.281 2.647 20 0 GFADRO C[C@@H](C[NH3+])CNC(=O)N[C@@H](C)CCc1ccc(I)cc1 ZINC000418116501 563899501 /nfs/dbraw/zinc/89/95/01/563899501.db2.gz QUWKVAKUNZDJTB-RYUDHWBXSA-N 1 0 389.281 2.506 20 0 GFADRO COc1cc(Br)ccc1CNC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000418161647 563900357 /nfs/dbraw/zinc/90/03/57/563900357.db2.gz ZVPFNYHIAIXJAV-KRWDZBQOSA-N 1 0 382.302 2.743 20 0 GFADRO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)N[C@@H]1COc2cc(F)c(Br)cc21 ZINC000418156226 563900447 /nfs/dbraw/zinc/90/04/47/563900447.db2.gz LKUCDBMMTKAZDZ-CUOATXAZSA-N 1 0 386.265 2.838 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(I)cc1F ZINC000448726485 563900627 /nfs/dbraw/zinc/90/06/27/563900627.db2.gz TZPFZPJOBUVCAD-NEPJUHHUSA-N 1 0 388.224 2.787 20 0 GFADRO COCC[N@@H+]1CCCN(C(=O)c2cc3c(Br)cccc3cn2)CC1 ZINC000448792436 563901304 /nfs/dbraw/zinc/90/13/04/563901304.db2.gz IIQRDEQJTQYUSV-UHFFFAOYSA-N 1 0 392.297 2.792 20 0 GFADRO CCC[C@@H](OC)C(=O)Nc1cc(Br)ccc1N1CC[NH+](C)CC1 ZINC000448814704 563901610 /nfs/dbraw/zinc/90/16/10/563901610.db2.gz WJDHVGHYTIYYQO-MRXNPFEDSA-N 1 0 384.318 2.955 20 0 GFADRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)c2c(Cl)cc(Cl)cc2Cl)C1 ZINC000448870403 563902472 /nfs/dbraw/zinc/90/24/72/563902472.db2.gz CZKFPNWTSOTUDN-JTQLQIEISA-N 1 0 392.714 2.964 20 0 GFADRO C[C@H](CNC(=O)c1ccc(I)cc1F)[N@H+](C)C1CC1 ZINC000448890794 563902791 /nfs/dbraw/zinc/90/27/91/563902791.db2.gz MSGJZNBQHISSKA-SECBINFHSA-N 1 0 376.213 2.643 20 0 GFADRO O=C(c1ccccc1-n1cc(Br)cn1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000448923887 563903351 /nfs/dbraw/zinc/90/33/51/563903351.db2.gz XBHBIHATRPANRG-AWEZNQCLSA-N 1 0 375.270 2.555 20 0 GFADRO CS(=O)(=O)N1CCC([NH2+]Cc2cnc(-c3c(F)cccc3F)s2)CC1 ZINC000449074503 563906334 /nfs/dbraw/zinc/90/63/34/563906334.db2.gz PHRQZDVXXYSYFG-UHFFFAOYSA-N 1 0 387.477 2.602 20 0 GFADRO CCCNC(=O)CN1CCC([NH2+]Cc2cc(F)cc(Br)c2)CC1 ZINC000449080738 563906479 /nfs/dbraw/zinc/90/64/79/563906479.db2.gz YVDYWKIELAHFLK-UHFFFAOYSA-N 1 0 386.309 2.668 20 0 GFADRO CS(=O)(=O)N1CCC[C@H]([NH2+]Cc2ccnc3c(Br)cccc23)C1 ZINC000449100515 563906969 /nfs/dbraw/zinc/90/69/69/563906969.db2.gz RPDXXFOCLLXDOE-ZDUSSCGKSA-N 1 0 398.326 2.511 20 0 GFADRO O=S(=O)(CC[NH2+]Cc1cnc(-c2ccccc2F)s1)NCC1CCC1 ZINC000449123798 563907143 /nfs/dbraw/zinc/90/71/43/563907143.db2.gz NUVASZXQONXTHT-UHFFFAOYSA-N 1 0 383.514 2.758 20 0 GFADRO O=C1[C@H]([NH2+]Cc2ccc(I)cc2)CCN1CC(F)(F)F ZINC000449148940 563907543 /nfs/dbraw/zinc/90/75/43/563907543.db2.gz VNBYLXKJNCIESM-LLVKDONJSA-N 1 0 398.166 2.544 20 0 GFADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+]CC1(OC)CCC1 ZINC000449231377 563908255 /nfs/dbraw/zinc/90/82/55/563908255.db2.gz OSRARKFQKAZZAJ-GFCCVEGCSA-N 1 0 385.302 2.621 20 0 GFADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[N@H+](C)CC[C@H]1CCCO1 ZINC000449268375 564178781 /nfs/dbraw/zinc/17/87/81/564178781.db2.gz GIGDGRQNMYMADC-CZUORRHYSA-N 1 0 399.329 2.963 20 0 GFADRO COC(=O)CC[C@H]([NH3+])C(=O)N1CCCC[C@H]1Cc1cccc(Br)c1 ZINC000563169490 564178995 /nfs/dbraw/zinc/17/89/95/564178995.db2.gz ITXPXKGLSDYYSG-HOTGVXAUSA-N 1 0 397.313 2.653 20 0 GFADRO C[C@H]1CS(=O)(=O)C[C@H]1[NH2+]C1CC(c2ccc(Br)cc2F)C1 ZINC000449327538 564180723 /nfs/dbraw/zinc/18/07/23/564180723.db2.gz DYSXDIZVCMMMQI-RQIBQTMTSA-N 1 0 376.291 2.857 20 0 GFADRO COc1nccnc1CN(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000449326369 564180833 /nfs/dbraw/zinc/18/08/33/564180833.db2.gz VDKVREQFXUJXRW-UHFFFAOYSA-N 1 0 379.302 2.812 20 0 GFADRO C[C@@H](C[NH2+]Cc1ccc(C[S@@](C)=O)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000449319485 564180847 /nfs/dbraw/zinc/18/08/47/564180847.db2.gz KBXNEDLOLOARNK-IZHWHUGBSA-N 1 0 379.547 2.862 20 0 GFADRO C[C@@H](CO)[N@@H+]1CCCN(C(=O)C2(Cc3ccccc3Br)CC2)CC1 ZINC000505356127 564181143 /nfs/dbraw/zinc/18/11/43/564181143.db2.gz RGSRERJGBWMSRV-HNNXBMFYSA-N 1 0 395.341 2.687 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[N@@H+]1CCC[C@H](CO)CC1 ZINC000449345199 564181956 /nfs/dbraw/zinc/18/19/56/564181956.db2.gz UPTXZDAETXXWLP-KBPBESRZSA-N 1 0 399.329 2.557 20 0 GFADRO COC(=O)c1ccc(Cl)c(C[NH2+]C[C@@H]2CS(=O)(=O)c3ccccc32)c1 ZINC000449355530 564182249 /nfs/dbraw/zinc/18/22/49/564182249.db2.gz AHXQJSINSGVTCC-CQSZACIVSA-N 1 0 379.865 2.787 20 0 GFADRO COCC[N@H+](C)CCCNC(=O)c1cc(F)c(Br)c(Cl)c1 ZINC000505521671 564185022 /nfs/dbraw/zinc/18/50/22/564185022.db2.gz XQMRNLQWHNRNRO-UHFFFAOYSA-N 1 0 381.673 2.940 20 0 GFADRO C[C@H]1CN(CCOC2CCN(c3ncccc3Br)CC2)C[C@H](C)O1 ZINC000563306513 564185240 /nfs/dbraw/zinc/18/52/40/564185240.db2.gz NHDUNBNMOUQEQT-GJZGRUSLSA-N 1 0 398.345 2.939 20 0 GFADRO COC[C@]1(CNC(=O)Cn2c(C)c(Br)c3ccccc32)CCC[NH2+]1 ZINC000563339809 564186727 /nfs/dbraw/zinc/18/67/27/564186727.db2.gz SYGPLFXLGBWDEL-GOSISDBHSA-N 1 0 394.313 2.597 20 0 GFADRO C[C@H]([NH2+][C@H](CCO)c1cccc(C(F)(F)F)c1)C1CCS(=O)(=O)CC1 ZINC000449435533 564186958 /nfs/dbraw/zinc/18/69/58/564186958.db2.gz CPSREIGFUGLMMB-BLLLJJGKSA-N 1 0 379.444 2.932 20 0 GFADRO CC[C@H](CNS(C)(=O)=O)[NH2+]Cc1cc(Cl)c(C)cc1Br ZINC000449443118 564187017 /nfs/dbraw/zinc/18/70/17/564187017.db2.gz PNNXWPHNHXEFMO-LLVKDONJSA-N 1 0 383.739 2.828 20 0 GFADRO CC[C@@H](CNS(C)(=O)=O)[NH2+]C1CC(c2ccc(Br)cc2F)C1 ZINC000449441543 564187194 /nfs/dbraw/zinc/18/71/94/564187194.db2.gz GWLMEXDNEKLASM-YDGIUTOCSA-N 1 0 393.322 2.752 20 0 GFADRO C[NH+](C)CCN(C(=O)c1nn(-c2ccc(F)cc2)cc1Br)C1CC1 ZINC000505654650 564187319 /nfs/dbraw/zinc/18/73/19/564187319.db2.gz DPMNOYNJLDMGIY-UHFFFAOYSA-N 1 0 395.276 2.940 20 0 GFADRO CC[C@H]([NH2+]C[C@@H](O)CN(C)CCOC)c1cc(F)cc(Br)c1 ZINC000563358119 564187539 /nfs/dbraw/zinc/18/75/39/564187539.db2.gz YRELYZVJJAPPNL-CVEARBPZSA-N 1 0 377.298 2.568 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)N(C)CCC[NH+](C)C ZINC000538317153 564188017 /nfs/dbraw/zinc/18/80/17/564188017.db2.gz LILKCWWVKIVWBF-HNNXBMFYSA-N 1 0 386.583 2.761 20 0 GFADRO CC[N@@H+]1CC[C@H](CNC(=O)Nc2cc(OC)c(Br)c(OC)c2)C1 ZINC000538325564 564188364 /nfs/dbraw/zinc/18/83/64/564188364.db2.gz CSGQQKVVHXLBOE-LLVKDONJSA-N 1 0 386.290 2.930 20 0 GFADRO Cc1ncc(Br)cc1NC(=O)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000563368282 564188675 /nfs/dbraw/zinc/18/86/75/564188675.db2.gz VWEIGNZHKDUPSW-HNNXBMFYSA-N 1 0 397.317 2.871 20 0 GFADRO C[NH+](C)CCn1ccc(C(=O)NCCc2ccc(Br)cc2Cl)n1 ZINC000563399448 564189644 /nfs/dbraw/zinc/18/96/44/564189644.db2.gz URYXXYXPMNRXIX-UHFFFAOYSA-N 1 0 399.720 2.833 20 0 GFADRO O=C1NC(=O)[C@@H]2C[N@H+](Cc3ccc(-c4cccc(Br)c4)s3)C[C@H]12 ZINC000449518459 564190313 /nfs/dbraw/zinc/19/03/13/564190313.db2.gz AAHGAQNYPADQFI-OKILXGFUSA-N 1 0 391.290 2.882 20 0 GFADRO Cc1cc(Br)c(S(=O)(=O)N2CC3CCC2(C[NH3+])CC3)s1 ZINC000563421101 564190563 /nfs/dbraw/zinc/19/05/63/564190563.db2.gz GZDJEZXXAWGTFT-UHFFFAOYSA-N 1 0 379.345 2.711 20 0 GFADRO CC[N@@H+]1CCCN(C(=O)c2c(F)cccc2I)CC1 ZINC000471274272 564190987 /nfs/dbraw/zinc/19/09/87/564190987.db2.gz VOEPXMYHCIGYJZ-UHFFFAOYSA-N 1 0 376.213 2.598 20 0 GFADRO COC1(C[NH2+]C[C@@H](CO)Cc2ccc(C)c(Br)c2)CCOCC1 ZINC000449598058 564191112 /nfs/dbraw/zinc/19/11/12/564191112.db2.gz HDEFBDQOKVEICL-INIZCTEOSA-N 1 0 386.330 2.694 20 0 GFADRO CN(C(=O)c1c(F)cccc1I)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000471282203 564191728 /nfs/dbraw/zinc/19/17/28/564191728.db2.gz IAMFFBVGACOOHE-LLVKDONJSA-N 1 0 388.224 2.739 20 0 GFADRO CC(C)Oc1cc(Br)cc(NC(=O)NC[C@@H]2C[NH2+]CCCO2)c1 ZINC000563519905 564194636 /nfs/dbraw/zinc/19/46/36/564194636.db2.gz JUGGJQOVLUZBGU-HNNXBMFYSA-N 1 0 386.290 2.736 20 0 GFADRO Cc1[nH]c(=O)c(Br)cc1C(=O)NC[C@H](Cc1ccccc1)[NH+](C)C ZINC000506040293 564194948 /nfs/dbraw/zinc/19/49/48/564194948.db2.gz LWKWUHYLOFPAQT-AWEZNQCLSA-N 1 0 392.297 2.761 20 0 GFADRO CCN1C[C@H]([NH2+]C[C@H](CO)Cc2cc(Br)ccc2OC)[C@@H](C)C1 ZINC000449679274 564195807 /nfs/dbraw/zinc/19/58/07/564195807.db2.gz HTHXSUBIBWVFGN-VBQJREDUSA-N 1 0 385.346 2.539 20 0 GFADRO COC(=O)C(C)(C)CC[NH2+]C[C@H](CO)Cc1ccc(F)c(Br)c1 ZINC000449683805 564196043 /nfs/dbraw/zinc/19/60/43/564196043.db2.gz OAFPBFKJIYPGDA-CYBMUJFWSA-N 1 0 390.293 2.918 20 0 GFADRO CN(C)c1ccncc1C[NH2+]C[C@H](CO)Cc1ccc(F)c(Br)c1 ZINC000449684331 564196111 /nfs/dbraw/zinc/19/61/11/564196111.db2.gz PENIUBNFQQOIJI-CQSZACIVSA-N 1 0 396.304 2.990 20 0 GFADRO CC(C)C(=O)N1CCC([NH2+]C[C@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000563559710 564197323 /nfs/dbraw/zinc/19/73/23/564197323.db2.gz SBGFECZPQCHWEV-AWEZNQCLSA-N 1 0 389.323 2.970 20 0 GFADRO CO[C@H]1CCN(C(=O)NCc2ccc(-c3csc(C)n3)s2)[C@H](C[NH3+])C1 ZINC000563560726 564197563 /nfs/dbraw/zinc/19/75/63/564197563.db2.gz VXBYQWZWLOHIPT-STQMWFEESA-N 1 0 380.539 2.828 20 0 GFADRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)[C@H]2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)C1 ZINC000449712044 564197724 /nfs/dbraw/zinc/19/77/24/564197724.db2.gz GCNWRYKQHWIKPQ-HFBAOOFYSA-N 1 0 384.307 2.842 20 0 GFADRO O=C(NC[C@@H]1C[NH2+]CCCO1)NCC1(c2ccc(Br)cc2)CCC1 ZINC000563580619 564197889 /nfs/dbraw/zinc/19/78/89/564197889.db2.gz NTIXTOKHQRQECD-INIZCTEOSA-N 1 0 396.329 2.549 20 0 GFADRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)CCc2nc(-c3cc(Br)cs3)no2)C1 ZINC000449723927 564198847 /nfs/dbraw/zinc/19/88/47/564198847.db2.gz XRYYEHUTSIPOFZ-MWLCHTKSSA-N 1 0 399.314 2.737 20 0 GFADRO Cc1c(C(=O)N[C@H]2CC[C@@H](C[NH3+])C2)cnn1-c1cccc(Br)c1 ZINC000449719907 564198875 /nfs/dbraw/zinc/19/88/75/564198875.db2.gz RJIAYSDSEYVOHK-OCCSQVGLSA-N 1 0 377.286 2.800 20 0 GFADRO COCC[C@@H](Cc1cccc(Br)c1)C(=O)N[C@H]1CC[NH2+]C1(C)C ZINC000449755119 564200514 /nfs/dbraw/zinc/20/05/14/564200514.db2.gz SGGDXCVKDKYHIO-HOCLYGCPSA-N 1 0 383.330 2.901 20 0 GFADRO C[C@@H]1c2c(Cl)cc(Cl)cc2CCN1C(=O)C(=O)NCC1CC[NH2+]CC1 ZINC000563660771 564201247 /nfs/dbraw/zinc/20/12/47/564201247.db2.gz PYBRIWSFGDHXNM-LLVKDONJSA-N 1 0 384.307 2.555 20 0 GFADRO C[C@H](CNC(=O)[C@@H]1Cc2cc(Br)ccc2O1)[N@@H+]1CCC[C@@H](C)C1 ZINC000471758221 564203745 /nfs/dbraw/zinc/20/37/45/564203745.db2.gz TWBCFXOKJRPOMO-XNJGSVPQSA-N 1 0 381.314 2.989 20 0 GFADRO [NH3+]C1(c2noc(COc3cccc(I)c3)n2)CCCC1 ZINC000563713600 564204339 /nfs/dbraw/zinc/20/43/39/564204339.db2.gz JJOBACUGHJVAIR-UHFFFAOYSA-N 1 0 385.205 2.981 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2nc(C)c(Br)s2)C[C@@H]1C ZINC000538939807 564206479 /nfs/dbraw/zinc/20/64/79/564206479.db2.gz FFUOTJKATJBTON-ONGXEEELSA-N 1 0 396.376 2.707 20 0 GFADRO C[C@H](CCc1ccc(Cl)s1)[NH2+]CCS(=O)(=O)NC[C@H]1CCCCO1 ZINC000539080764 564208539 /nfs/dbraw/zinc/20/85/39/564208539.db2.gz QDYPUTVIVLHCRN-ZIAGYGMSSA-N 1 0 394.990 2.801 20 0 GFADRO C[C@H]([NH2+]C[C@@H](c1ccc(Cl)cc1)N(C)C)c1cccc(S(N)(=O)=O)c1 ZINC000539214927 564213187 /nfs/dbraw/zinc/21/31/87/564213187.db2.gz CYUJPDVKVQMJJZ-UGSOOPFHSA-N 1 0 381.929 2.941 20 0 GFADRO CN(C)C(=O)[C@H]1CCCN1CCC[NH2+][C@H]1CCc2c1cccc2Br ZINC000539202404 564213204 /nfs/dbraw/zinc/21/32/04/564213204.db2.gz HVDWVQHYAAFEDF-ZWKOTPCHSA-N 1 0 394.357 2.969 20 0 GFADRO CSc1nnc(CNC(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC000472193921 564215349 /nfs/dbraw/zinc/21/53/49/564215349.db2.gz VIRGCRAMEGUYNK-CQSZACIVSA-N 1 0 377.539 2.581 20 0 GFADRO Cc1cc(Br)cc(C)c1S(=O)(=O)NC1CC[NH+](C2CC2)CC1 ZINC000507007789 564216070 /nfs/dbraw/zinc/21/60/70/564216070.db2.gz PUWJGMGUHMUIJC-UHFFFAOYSA-N 1 0 387.343 2.971 20 0 GFADRO C[C@@H]1CN(C[C@H](O)C[NH2+]C(C)(C)c2ccccc2Br)C[C@H](C)O1 ZINC000539325454 564216394 /nfs/dbraw/zinc/21/63/94/564216394.db2.gz WITYTFVIOUGKFI-QLFBSQMISA-N 1 0 385.346 2.744 20 0 GFADRO CC(C)[N@H+]1C[C@H](NC(=O)c2ccc(I)cc2F)[C@@H](C)C1 ZINC000450097008 564216470 /nfs/dbraw/zinc/21/64/70/564216470.db2.gz LRLMINROCFKUGF-HZMBPMFUSA-N 1 0 390.240 2.889 20 0 GFADRO CC[NH+](CC)CCO[C@@H]1CCN(CC(=O)Nc2ccccc2Br)C1 ZINC000472278234 564218052 /nfs/dbraw/zinc/21/80/52/564218052.db2.gz NTBONFYSQUQBIO-OAHLLOKOSA-N 1 0 398.345 2.820 20 0 GFADRO O[C@H](C[NH2+]C1CCN(CC(F)F)CC1)COc1ccccc1Br ZINC000539397296 564218251 /nfs/dbraw/zinc/21/82/51/564218251.db2.gz XCBWVJSJKCGANG-CYBMUJFWSA-N 1 0 393.272 2.508 20 0 GFADRO Cc1cc(I)cc(C(=O)NCC2=CC[N@H+](C)CC2)c1C ZINC000539444930 564220339 /nfs/dbraw/zinc/22/03/39/564220339.db2.gz TYXZDXIZVDDFML-UHFFFAOYSA-N 1 0 384.261 2.900 20 0 GFADRO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)Nc1ccncc1Br ZINC000507248278 564223287 /nfs/dbraw/zinc/22/32/87/564223287.db2.gz NDWLZJGFJPRSJA-AWEZNQCLSA-N 1 0 377.286 2.560 20 0 GFADRO Cc1ccc(Br)c(S(=O)(=O)NCC[NH2+][C@@H](C)c2cccnc2)c1 ZINC000507248258 564223716 /nfs/dbraw/zinc/22/37/16/564223716.db2.gz UENHQJUYLDXDLV-ZDUSSCGKSA-N 1 0 398.326 2.782 20 0 GFADRO COc1ccc(-c2noc(CN(C)Cc3cc(Br)cs3)n2)nn1 ZINC000450261422 564224070 /nfs/dbraw/zinc/22/40/70/564224070.db2.gz NOSZEJFETRQBKT-UHFFFAOYSA-N 1 0 396.270 2.991 20 0 GFADRO Cc1ccc(Br)c(S(=O)(=O)NCC[NH2+][C@@H](C)c2ccncc2)c1 ZINC000507261432 564224177 /nfs/dbraw/zinc/22/41/77/564224177.db2.gz GSGYCKYQLPORDN-ZDUSSCGKSA-N 1 0 398.326 2.782 20 0 GFADRO CN(C)CC[N@H+](C)CCCN(C)C(=O)c1cc2c(cccc2Br)[nH]1 ZINC000564199490 564224847 /nfs/dbraw/zinc/22/48/47/564224847.db2.gz LHEPRPPQGUEYJG-UHFFFAOYSA-N 1 0 395.345 2.886 20 0 GFADRO CCOCC[N@@H+]1CCN(c2ncnc3cc(Br)ccc32)C[C@@H]1C ZINC000450314571 564226452 /nfs/dbraw/zinc/22/64/52/564226452.db2.gz URHSDRFYHHQRKU-ZDUSSCGKSA-N 1 0 379.302 2.939 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)C(=O)N[C@@H](c1nccn1C)C1CC1 ZINC000507426928 564229240 /nfs/dbraw/zinc/22/92/40/564229240.db2.gz YTOZWHIKPZZXCY-CQSZACIVSA-N 1 0 391.269 2.697 20 0 GFADRO C[C@H]1CC[C@H]([N@H+](CCO)CC(=O)N(C)Cc2ccccc2Br)C1 ZINC000564390293 564231341 /nfs/dbraw/zinc/23/13/41/564231341.db2.gz LFSZKVOSLQUTGD-HOCLYGCPSA-N 1 0 383.330 2.890 20 0 GFADRO CC[NH+](CC)CCS(=O)(=O)N[C@H](C)c1ccc(Br)cc1F ZINC000564409247 564232782 /nfs/dbraw/zinc/23/27/82/564232782.db2.gz GEZQFZSZTMOOAJ-LLVKDONJSA-N 1 0 381.311 2.910 20 0 GFADRO COC(=O)CSCCC(=O)N(C)C[C@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000564492256 564235802 /nfs/dbraw/zinc/23/58/02/564235802.db2.gz LGYNDGZDWFSUIH-OAHLLOKOSA-N 1 0 384.567 2.633 20 0 GFADRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)C(=O)Nc1cc(Br)ccc1F ZINC000507633134 564236038 /nfs/dbraw/zinc/23/60/38/564236038.db2.gz RWBUFQBPVWAQSK-YPMHNXCESA-N 1 0 398.276 2.612 20 0 GFADRO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@@H+]2Cc1cn(-c2ccccc2Br)nn1 ZINC000564532664 564237796 /nfs/dbraw/zinc/23/77/96/564237796.db2.gz HYLJIMQSKMLPQU-GVSKICRLSA-N 1 0 389.297 2.885 20 0 GFADRO C[N@H+]1CC=C(CNC(=O)c2cn(Cc3ccc(Cl)cc3Cl)nn2)CC1 ZINC000564539038 564238400 /nfs/dbraw/zinc/23/84/00/564238400.db2.gz GKYGKAQJZYPHDS-UHFFFAOYSA-N 1 0 380.279 2.625 20 0 GFADRO CSc1cc(CNC(=O)NCC2([NH+]3CCSCC3)CCCC2)ccn1 ZINC000540058899 564239273 /nfs/dbraw/zinc/23/92/73/564239273.db2.gz ZOZXNXNVUUVAFI-UHFFFAOYSA-N 1 0 380.583 2.964 20 0 GFADRO Cc1ccc(Br)cc1CN1CC[C@@H](S(=O)(=O)NC(C)C)C1 ZINC000450580932 564239587 /nfs/dbraw/zinc/23/95/87/564239587.db2.gz DHOSKDFKPVOEBG-OAHLLOKOSA-N 1 0 375.332 2.660 20 0 GFADRO O=S1(=O)CCO[C@H](C[NH2+][C@H]2CCCOc3c(Cl)c(Cl)ccc32)C1 ZINC000540162209 564240867 /nfs/dbraw/zinc/24/08/67/564240867.db2.gz FGHOTHHCMIQMCT-MFKMUULPSA-N 1 0 380.293 2.610 20 0 GFADRO Ic1cccc2ncnc(NC[C@H]3CC[N@@H+](C4CC4)C3)c12 ZINC000564591533 564241122 /nfs/dbraw/zinc/24/11/22/564241122.db2.gz HCRMIHUHKZVJQL-LLVKDONJSA-N 1 0 394.260 3.131 20 0 GFADRO C[NH+]1CCC(CCO)(NC(=O)c2cc(Cl)c(Br)cc2F)CC1 ZINC000450684742 564243249 /nfs/dbraw/zinc/24/32/49/564243249.db2.gz SBGVMSDWNHNTOQ-UHFFFAOYSA-N 1 0 393.684 2.818 20 0 GFADRO O=S(=O)(Cc1ccc(Cl)cc1Br)NCC1CC[NH2+]CC1 ZINC000564727765 564246293 /nfs/dbraw/zinc/24/62/93/564246293.db2.gz TZEGZIJUCVRBHL-UHFFFAOYSA-N 1 0 381.723 2.522 20 0 GFADRO COCCOC[C@@H](O)C[NH+]1CCC(c2ccc(Br)c(C)c2)CC1 ZINC000450779149 564247673 /nfs/dbraw/zinc/24/76/73/564247673.db2.gz MWQXLVVQYGXYDZ-KRWDZBQOSA-N 1 0 386.330 2.961 20 0 GFADRO CN(CCC[NH+](C)C)C(=O)CSc1nnc(-c2cccs2)n1C1CC1 ZINC000540518074 564250573 /nfs/dbraw/zinc/25/05/73/564250573.db2.gz SKHYBFHGZQLOGM-UHFFFAOYSA-N 1 0 379.555 2.844 20 0 GFADRO CC(C)(CO)CCC[NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000564854649 564252564 /nfs/dbraw/zinc/25/25/64/564252564.db2.gz RGPXQJSXJKPOMJ-CQSZACIVSA-N 1 0 378.282 2.716 20 0 GFADRO C[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000564900132 564255727 /nfs/dbraw/zinc/25/57/27/564255727.db2.gz UZQKJYRMQFLNCW-BXUZGUMPSA-N 1 0 382.295 2.698 20 0 GFADRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NS(=O)(=O)c1cc(F)ccc1Br ZINC000473944132 564258970 /nfs/dbraw/zinc/25/89/70/564258970.db2.gz WEEHOMXSDGPFEQ-NEPJUHHUSA-N 1 0 393.322 2.987 20 0 GFADRO Cc1cc(SCC(=O)NCCOCC[NH+](C)C)c(C)cc1Br ZINC000540882244 564259618 /nfs/dbraw/zinc/25/96/18/564259618.db2.gz MLCQWQDULOZRNS-UHFFFAOYSA-N 1 0 389.359 2.852 20 0 GFADRO CS[C@@H]1CN(S(=O)(=O)c2cc(C)c(Cl)s2)C[C@@H]1[NH+]1CCCC1 ZINC000473947553 564259767 /nfs/dbraw/zinc/25/97/67/564259767.db2.gz GAENOHPLYNIHQU-NWDGAFQWSA-N 1 0 380.988 2.910 20 0 GFADRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)CNC(=O)c1ccc(Cl)c(Cl)c1 ZINC000508312431 564260894 /nfs/dbraw/zinc/26/08/94/564260894.db2.gz FMIJFWJFVYJUCQ-CHWSQXEVSA-N 1 0 386.323 2.960 20 0 GFADRO O=C(NC[C@H]1CSc2ccccc2O1)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000565030521 564262775 /nfs/dbraw/zinc/26/27/75/564262775.db2.gz CESGMOKPUXVVNU-CVEARBPZSA-N 1 0 378.563 2.873 20 0 GFADRO COCCOC[C@H](O)C[N@@H+]1CCc2nc(-c3ccccc3Cl)sc2C1 ZINC000451039259 564265869 /nfs/dbraw/zinc/26/58/69/564265869.db2.gz PAEPWQCRTJZEPX-CYBMUJFWSA-N 1 0 382.913 2.846 20 0 GFADRO C[N@@H+]1CCCC[C@@H]1CCC(=O)NC[C@@H](CO)Cc1ccc(Br)cc1 ZINC000508556377 564266079 /nfs/dbraw/zinc/26/60/79/564266079.db2.gz LLBCHPZPEFRKAJ-FUHWJXTLSA-N 1 0 397.357 2.981 20 0 GFADRO CC[N@@H+]1CCCC[C@H]1CNS(=O)(=O)c1ccc(Br)c(OC)c1 ZINC000474128071 564266996 /nfs/dbraw/zinc/26/69/96/564266996.db2.gz XZGBJDVHBRSFTF-LBPRGKRZSA-N 1 0 391.331 2.610 20 0 GFADRO C[N@@H+]1CCCC[C@H]1CCC(=O)NC[C@H](CO)Cc1cccc(Br)c1 ZINC000508577320 564267110 /nfs/dbraw/zinc/26/71/10/564267110.db2.gz KUELGGBGHNMAGW-AEFFLSMTSA-N 1 0 397.357 2.981 20 0 GFADRO C[N@@H+]1CCCC[C@@H]1CCC(=O)NC[C@H](CO)Cc1ccccc1Br ZINC000508588130 564267826 /nfs/dbraw/zinc/26/78/26/564267826.db2.gz MRMHFAHGIYGZAD-NVXWUHKLSA-N 1 0 397.357 2.981 20 0 GFADRO CN(C(=O)N[C@H]1COc2cc(F)c(Br)cc21)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000508646691 564268310 /nfs/dbraw/zinc/26/83/10/564268310.db2.gz DTERUEBBWHAJJG-NHYWBVRUSA-N 1 0 398.276 2.900 20 0 GFADRO COC(=O)COc1ccc(C[NH2+][C@@H](CO)c2ccc(Br)cc2)cc1 ZINC000541215371 564269579 /nfs/dbraw/zinc/26/95/79/564269579.db2.gz XVJVRRWVOLYNIS-KRWDZBQOSA-N 1 0 394.265 2.824 20 0 GFADRO C[C@H](CNC(=O)c1conc1C(C)(C)[NH3+])Oc1ccccc1Br ZINC000565216438 564270732 /nfs/dbraw/zinc/27/07/32/564270732.db2.gz OIFLMTVWOVMGAP-SNVBAGLBSA-N 1 0 382.258 2.828 20 0 GFADRO Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC([NH+]2CCCC2)CC1 ZINC000508767448 564272512 /nfs/dbraw/zinc/27/25/12/564272512.db2.gz ZWXLDSXKUDVFCX-UHFFFAOYSA-N 1 0 379.306 2.637 20 0 GFADRO COC[C@@]1(CNC(=O)N2Cc3cc(Br)ccc3C[C@H]2C)CCC[NH2+]1 ZINC000565353412 564276541 /nfs/dbraw/zinc/27/65/41/564276541.db2.gz MIQVAJVMQFWSIM-ACJLOTCBSA-N 1 0 396.329 2.674 20 0 GFADRO C[C@@H](NC(=O)C1CC[NH+]([C@H]2CCSC2)CC1)c1ncc(Br)cn1 ZINC000565373273 564277723 /nfs/dbraw/zinc/27/77/23/564277723.db2.gz NYJJCSALCHCWFU-RISCZKNCSA-N 1 0 399.358 2.634 20 0 GFADRO CCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(F)cc1Br ZINC000508964498 564277818 /nfs/dbraw/zinc/27/78/18/564277818.db2.gz CYQLAFVRDLJULN-LBPRGKRZSA-N 1 0 386.265 2.517 20 0 GFADRO C[C@H]1CC[NH2+][C@H](C(=O)N2CCN(Cc3ccc(Br)s3)CC2)C1 ZINC000565364076 564278197 /nfs/dbraw/zinc/27/81/97/564278197.db2.gz FKSBPDYPLRGQRH-JSGCOSHPSA-N 1 0 386.359 2.543 20 0 GFADRO COc1cc(Br)ccc1CCC[N@H+](C)[C@@H]1CCN2CCO[C@H]1C2 ZINC000451141589 564278852 /nfs/dbraw/zinc/27/88/52/564278852.db2.gz VDTDCTZHYZSLDZ-AEFFLSMTSA-N 1 0 383.330 2.795 20 0 GFADRO CC[NH2+]CCCNC(=O)C(=O)N1CCC(Sc2ccc(Cl)cc2)CC1 ZINC000565412273 564279776 /nfs/dbraw/zinc/27/97/76/564279776.db2.gz MPNJBFZZFBPPOP-UHFFFAOYSA-N 1 0 383.945 2.539 20 0 GFADRO O=C(CCC[NH2+]Cc1c(F)ccc(I)c1F)NC1CC1 ZINC000474477976 564279840 /nfs/dbraw/zinc/27/98/40/564279840.db2.gz UTAOSOPHXTXPGX-UHFFFAOYSA-N 1 0 394.203 2.718 20 0 GFADRO Cc1cc(S(=O)(=O)N[C@@H]2CCC[N@@H+](C(C)C)C2)ccc1Br ZINC000474574666 564281369 /nfs/dbraw/zinc/28/13/69/564281369.db2.gz DIHCQYYHXOCFRA-CYBMUJFWSA-N 1 0 375.332 2.909 20 0 GFADRO Nc1ccnc(C[N@@H+]2CC[C@H](Cc3cccc(I)c3)C2)n1 ZINC000451188092 564284445 /nfs/dbraw/zinc/28/44/45/564284445.db2.gz HIPXZXPUQZERQB-CYBMUJFWSA-N 1 0 394.260 2.728 20 0 GFADRO C[C@H]([NH2+]CC1(O)CCOCC1)c1nc(-c2ccc(Br)cc2)no1 ZINC000541691244 564286026 /nfs/dbraw/zinc/28/60/26/564286026.db2.gz SIMUANACXCKQJT-NSHDSACASA-N 1 0 382.258 2.691 20 0 GFADRO CCOCCC[N@@H+]1CC[C@@H](NS(=O)(=O)c2sccc2Cl)[C@H](C)C1 ZINC000451211052 564287533 /nfs/dbraw/zinc/28/75/33/564287533.db2.gz SPPZNZJSQFBPBU-TZMCWYRMSA-N 1 0 380.963 2.817 20 0 GFADRO CCC[C@H](NC(=O)NCC(=O)N1CC[NH2+]CC1)c1ccc(Cl)c(Cl)c1 ZINC000565647133 564289958 /nfs/dbraw/zinc/28/99/58/564289958.db2.gz UBLIZGYQLYHCHP-HNNXBMFYSA-N 1 0 387.311 2.566 20 0 GFADRO CC[C@@H]1[C@H](CO)CC[N@@H+]1C[C@H](O)COc1ccc(Cl)cc1Br ZINC000451249229 564292337 /nfs/dbraw/zinc/29/23/37/564292337.db2.gz BNNSPWTUQBSJEF-CORIIIEPSA-N 1 0 392.721 2.935 20 0 GFADRO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)c1c(Br)cnn1C)[NH+](C)C ZINC000451262543 564292734 /nfs/dbraw/zinc/29/27/34/564292734.db2.gz GSWAHSUKYJBZDN-IUODEOHRSA-N 1 0 379.302 2.912 20 0 GFADRO CN(CC[N@H+](C)CCc1ccc(Cl)cc1)c1ccc(S(N)(=O)=O)cc1 ZINC000451273135 564294213 /nfs/dbraw/zinc/29/42/13/564294213.db2.gz DFFRNMKFCZFKCK-UHFFFAOYSA-N 1 0 381.929 2.598 20 0 GFADRO O=C1C[C@H]([NH2+]CC2=Cc3cc(Br)ccc3OC2)[C@H]2CCCCN12 ZINC000509414623 564297406 /nfs/dbraw/zinc/29/74/06/564297406.db2.gz HETBJZPUJTWRCS-JKSUJKDBSA-N 1 0 377.282 2.968 20 0 GFADRO Cc1ccccc1OC[C@@H](O)C[NH2+][C@@H](CO)c1ccc(Br)cc1 ZINC000541980443 564297439 /nfs/dbraw/zinc/29/74/39/564297439.db2.gz BWENEVNPSMLGDD-IRXDYDNUSA-N 1 0 380.282 2.820 20 0 GFADRO CC[NH+](CC)CCCC1CCN(c2cnn(C)c(=O)c2Br)CC1 ZINC000542040389 564299199 /nfs/dbraw/zinc/29/91/99/564299199.db2.gz GKHNUEBGPAEFOX-UHFFFAOYSA-N 1 0 385.350 2.881 20 0 GFADRO C[C@@H]1C[C@H]([NH2+]CCOc2ccc(I)cc2)CN1C1CC1 ZINC000509439752 564299402 /nfs/dbraw/zinc/29/94/02/564299402.db2.gz PMDRIXGPJNRQAN-OCCSQVGLSA-N 1 0 386.277 2.885 20 0 GFADRO C[C@H](NC(=O)N1CC[NH+](C2CCCC2)CC1)c1ncc(Br)cn1 ZINC000565878293 564299929 /nfs/dbraw/zinc/29/99/29/564299929.db2.gz PTBBAHJYDNHNMM-LBPRGKRZSA-N 1 0 382.306 2.570 20 0 GFADRO O=C(CCNC(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1)Nc1cc(Cl)cc(Cl)c1 ZINC000565883056 564300959 /nfs/dbraw/zinc/30/09/59/564300959.db2.gz LRKVWHSVUZGNIN-NWDGAFQWSA-N 1 0 385.295 2.573 20 0 GFADRO CN(CC[NH2+]Cc1ccc(-c2cnn(C)c2)s1)S(=O)(=O)c1cccs1 ZINC000509475903 564301451 /nfs/dbraw/zinc/30/14/51/564301451.db2.gz BPEOIGGSKGANBW-UHFFFAOYSA-N 1 0 396.563 2.620 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@@H](NS(=O)(=O)c2cccc(Br)c2F)C1 ZINC000542141683 564301977 /nfs/dbraw/zinc/30/19/77/564301977.db2.gz RPYJMSFWSCYATE-GHMZBOCLSA-N 1 0 379.295 2.739 20 0 GFADRO COc1ccc(Br)c(CN(C)C(=O)NC[C@@H]2CCC[N@H+](C)C2)c1 ZINC000565928489 564302259 /nfs/dbraw/zinc/30/22/59/564302259.db2.gz AHCTYDZZXUZZNN-ZDUSSCGKSA-N 1 0 384.318 2.941 20 0 GFADRO C[C@H](Cc1ccc(F)c(Br)c1)NC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC000542166647 564303153 /nfs/dbraw/zinc/30/31/53/564303153.db2.gz RLIOPNIYHHQRJJ-QWHCGFSZSA-N 1 0 387.293 2.604 20 0 GFADRO O=C(C[NH2+][C@@H](c1ccc(F)c(Cl)c1)C1CC1)NC(=O)NCC(F)(F)F ZINC000451351824 564303872 /nfs/dbraw/zinc/30/38/72/564303872.db2.gz GAMHOJZUZYRGPN-CYBMUJFWSA-N 1 0 381.757 2.908 20 0 GFADRO C[C@H](C[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Br)N(C)C1CC1 ZINC000566004843 564305669 /nfs/dbraw/zinc/30/56/69/564305669.db2.gz GKXXRAIDPAXUMW-BXUZGUMPSA-N 1 0 391.737 2.915 20 0 GFADRO COC[C@@]1(C(=O)Nc2ccnn2Cc2ccc(Cl)cc2Cl)CC[NH2+]C1 ZINC000566004294 564305967 /nfs/dbraw/zinc/30/59/67/564305967.db2.gz AGXQGDUSDWBBGL-QGZVFWFLSA-N 1 0 383.279 2.803 20 0 GFADRO O=C(COC1CC[NH2+]CC1)Nc1ccnn1Cc1c(Cl)cccc1Cl ZINC000566089907 564308306 /nfs/dbraw/zinc/30/83/06/564308306.db2.gz QCTHMEXKLAYAEL-UHFFFAOYSA-N 1 0 383.279 2.945 20 0 GFADRO CC[NH+]1CCN([C@H](C)CNC(=O)c2ccc(Cl)c(Br)c2)CC1 ZINC000509680040 564309088 /nfs/dbraw/zinc/30/90/88/564309088.db2.gz LICSNDQNZMGHPT-GFCCVEGCSA-N 1 0 388.737 2.858 20 0 GFADRO O=S1(=O)CCCC[C@@H]1C[NH2+]Cc1cc(Cl)ccc1OC[C@H]1CCCO1 ZINC000542312149 564309367 /nfs/dbraw/zinc/30/93/67/564309367.db2.gz WDYJHUDXPCPBQW-IAGOWNOFSA-N 1 0 387.929 2.955 20 0 GFADRO C[C@@H]1CN(C[C@H](O)C[NH2+]C/C=C\c2ccc(Br)cc2)C[C@@H](C)O1 ZINC000566122544 564310642 /nfs/dbraw/zinc/31/06/42/564310642.db2.gz NLHUPIXHBSCHEL-HCPBGUCYSA-N 1 0 383.330 2.522 20 0 GFADRO CCS(=O)(=O)c1ccc(C[NH2+]C[C@@H](O)COc2ccccc2Cl)s1 ZINC000566126026 564311364 /nfs/dbraw/zinc/31/13/64/564311364.db2.gz ZCIHSJZGDIPBJA-GFCCVEGCSA-N 1 0 389.926 2.725 20 0 GFADRO Cc1cc(NC(=O)CC[NH2+][C@@H]2CSc3ccc(Br)cc32)no1 ZINC000566124174 564312018 /nfs/dbraw/zinc/31/20/18/564312018.db2.gz UOJCOEQHCORBEU-GFCCVEGCSA-N 1 0 382.283 3.511 20 0 GFADRO C[NH+](C)C[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc2ncsc2c1 ZINC000475573038 564312338 /nfs/dbraw/zinc/31/23/38/564312338.db2.gz RGKRMDIOJJHCFU-HNNXBMFYSA-N 1 0 375.519 2.748 20 0 GFADRO CC[NH+](CC)C[C@H](C)NS(=O)(=O)Cc1ccc(Br)c(F)c1 ZINC000451422621 564312424 /nfs/dbraw/zinc/31/24/24/564312424.db2.gz BIUNQADIPHAXFD-NSHDSACASA-N 1 0 381.311 2.738 20 0 GFADRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)C(=O)Nc1ccc(Br)c(F)c1 ZINC000509797695 564313494 /nfs/dbraw/zinc/31/34/94/564313494.db2.gz YNBKIGSUJPQHKY-ABAIWWIYSA-N 1 0 398.276 2.612 20 0 GFADRO Ic1ccc(CN2CCC[C@H]2C[NH2+]Cc2ncc[nH]2)cc1 ZINC000475636126 564314410 /nfs/dbraw/zinc/31/44/10/564314410.db2.gz SZMABDYPIPAVCK-HNNXBMFYSA-N 1 0 396.276 2.769 20 0 GFADRO C[C@@H](C[NH+](C)C)NC(=O)C(=O)Nc1cc(Cl)ccc1SCC(F)(F)F ZINC000509811040 564314545 /nfs/dbraw/zinc/31/45/45/564314545.db2.gz TXDLBBWDPUGZRY-VIFPVBQESA-N 1 0 397.850 2.999 20 0 GFADRO C[C@@H]1c2c(Cl)cc(Cl)cc2CCN1C(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000566190339 564315032 /nfs/dbraw/zinc/31/50/32/564315032.db2.gz QUASPUYFMQKALQ-IAQYHMDHSA-N 1 0 384.307 2.697 20 0 GFADRO C[C@H]([NH2+]C1CC1)C(=O)Nc1ccc(CCn2cc(Br)cn2)cc1 ZINC000566185459 564315344 /nfs/dbraw/zinc/31/53/44/564315344.db2.gz IBYQMYOIUPIQFK-LBPRGKRZSA-N 1 0 377.286 2.967 20 0 GFADRO Cc1c([C@H](C)[NH2+]CCCn2ccnn2)nnn1-c1cccc(Br)c1 ZINC000542489454 564316041 /nfs/dbraw/zinc/31/60/41/564316041.db2.gz JDJAKGGJCZUQSZ-LBPRGKRZSA-N 1 0 390.289 2.671 20 0 GFADRO [NH3+]CCCOC1CCN(C(=O)CCc2cc(F)ccc2Br)CC1 ZINC000566200356 564316187 /nfs/dbraw/zinc/31/61/87/564316187.db2.gz QPQIEGUAECDGMB-UHFFFAOYSA-N 1 0 387.293 2.877 20 0 GFADRO COCCCS(=O)(=O)NCC[N@H+](C)[C@H](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000475733694 564316853 /nfs/dbraw/zinc/31/68/53/564316853.db2.gz LINMYINLSROUHB-HUUCEWRRSA-N 1 0 376.950 2.720 20 0 GFADRO C[C@@H]1C[C@@H](C)[C@H](C)[N@H+](CC(=O)NCC(=O)Nc2ccccc2Br)C1 ZINC000475733522 564317511 /nfs/dbraw/zinc/31/75/11/564317511.db2.gz UGPWELQLGSOMRK-MCIONIFRSA-N 1 0 396.329 2.870 20 0 GFADRO C[C@@](O)(C[NH2+]C[C@H](CO)Cc1ccc(F)c(Br)c1)C(F)(F)F ZINC000566232386 564317933 /nfs/dbraw/zinc/31/79/33/564317933.db2.gz NSFIZIIQXFLHDT-ZWNOBZJWSA-N 1 0 388.199 2.642 20 0 GFADRO Cc1cc(I)ccc1NC(=O)C[NH2+][C@H](C)c1cnn(C)c1 ZINC000542573882 564318402 /nfs/dbraw/zinc/31/84/02/564318402.db2.gz LDKJUUMRCCTTHL-LLVKDONJSA-N 1 0 398.248 2.622 20 0 GFADRO CO[C@H]1C[C@@H]([NH2+]CC(=O)Nc2ccccc2I)C1(C)C ZINC000451487844 564318732 /nfs/dbraw/zinc/31/87/32/564318732.db2.gz FYKMCNLHJMSIRL-OLZOCXBDSA-N 1 0 388.249 2.633 20 0 GFADRO CC(C)[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)N(C)[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000510010700 564322180 /nfs/dbraw/zinc/32/21/80/564322180.db2.gz QZAJUHMLXQXATH-HEHGZKQESA-N 1 0 385.961 2.955 20 0 GFADRO CN1CCO[C@H]2CCN(C(=O)c3cc4c(ccc(F)c4Br)[nH]3)C[C@H]21 ZINC000451529647 564322446 /nfs/dbraw/zinc/32/24/46/564322446.db2.gz NPUMZHVLDZQKMN-CABCVRRESA-N 1 0 396.260 2.615 20 0 GFADRO Cc1cc(Br)cc(C)c1S(=O)(=O)N1CCC(CC[NH3+])CC1 ZINC000566355906 564324563 /nfs/dbraw/zinc/32/45/63/564324563.db2.gz KZKFGZNDBLQNPV-UHFFFAOYSA-N 1 0 375.332 2.815 20 0 GFADRO COCCCN(C1CC[NH+](C)CC1)S(=O)(=O)C[C@@H]1CCCCC1(F)F ZINC000451563764 564325943 /nfs/dbraw/zinc/32/59/43/564325943.db2.gz FIOHRRMISJKPMG-HNNXBMFYSA-N 1 0 382.517 2.574 20 0 GFADRO CS(=O)(=O)N1CC[C@H](C[N@@H+]2CC[C@H](c3cccc(Br)c3)C2)C1 ZINC000451568652 564326620 /nfs/dbraw/zinc/32/66/20/564326620.db2.gz NHLMZFAXLDDHIE-HIFRSBDPSA-N 1 0 387.343 2.520 20 0 GFADRO O=C1NCC[C@H]1CC[NH2+][C@@H](CO)c1ccc(Br)cc1C(F)(F)F ZINC000566417637 564326871 /nfs/dbraw/zinc/32/68/71/564326871.db2.gz SFEOMTQTEIKNKI-RNCFNFMXSA-N 1 0 395.219 2.617 20 0 GFADRO Cc1nnc(CNC(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)s1 ZINC000542795741 564327058 /nfs/dbraw/zinc/32/70/58/564327058.db2.gz ASFNRJNRIITKRJ-UHFFFAOYSA-N 1 0 379.917 2.964 20 0 GFADRO O[C@H](C[NH2+]Cc1cnn(CC(F)F)c1)COc1cccc(Cl)c1Cl ZINC000510187669 564327342 /nfs/dbraw/zinc/32/73/42/564327342.db2.gz ZGUXOEFGUPGKBR-LLVKDONJSA-N 1 0 380.222 2.985 20 0 GFADRO COc1ccc(Br)c(CNC(=O)N(C)[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000476131994 564328358 /nfs/dbraw/zinc/32/83/58/564328358.db2.gz CWRJZFVXWBJUOE-AWEZNQCLSA-N 1 0 382.302 2.836 20 0 GFADRO OCC1([NH2+]Cc2cc3c(cc2Br)OCCO3)Cc2ccccc2C1 ZINC000510263370 564329100 /nfs/dbraw/zinc/32/91/00/564329100.db2.gz DYYNIQBKWZMXBS-UHFFFAOYSA-N 1 0 390.277 2.840 20 0 GFADRO C[C@@H]1CCN(C(=O)Nc2ccc(I)cc2F)C[C@@H]1C[NH3+] ZINC000566504770 564330636 /nfs/dbraw/zinc/33/06/36/564330636.db2.gz ONUSQQVOLRHJMB-ZJUUUORDSA-N 1 0 391.228 2.879 20 0 GFADRO C[C@H](CNC(=O)N[C@H](CCO)c1ccccc1Br)[N@H+](C)C1CC1 ZINC000542897668 564330863 /nfs/dbraw/zinc/33/08/63/564330863.db2.gz JQZLWNNPQRUITB-MLGOLLRUSA-N 1 0 384.318 2.655 20 0 GFADRO COC(=O)c1ccc(Cl)c(NS(=O)(=O)c2ccc(C[NH+](C)C)cc2)c1 ZINC000476221099 564331633 /nfs/dbraw/zinc/33/16/33/564331633.db2.gz RXIOHPYOTXIUPA-UHFFFAOYSA-N 1 0 382.869 2.989 20 0 GFADRO Cc1c2cccc(Br)c2oc1C(=O)NC[C@H](C)N1CC[NH+](C)CC1 ZINC000543009843 564335348 /nfs/dbraw/zinc/33/53/48/564335348.db2.gz KHJGKZLGMQEEMA-LBPRGKRZSA-N 1 0 394.313 2.869 20 0 GFADRO CN1CCN(C(=O)CC[NH2+][C@@H]2CCCc3c(Br)cccc32)CC1 ZINC000543081845 564337129 /nfs/dbraw/zinc/33/71/29/564337129.db2.gz OBLVWNMOBLCEHL-QGZVFWFLSA-N 1 0 380.330 2.580 20 0 GFADRO C[C@@H]1Cc2cc(S(=O)(=O)N3C[C@@H]([NH+]4CCCC4)C[C@H]3C)cc(Cl)c2O1 ZINC000510537735 564337708 /nfs/dbraw/zinc/33/77/08/564337708.db2.gz JMTSGWINLVSVEX-NFAWXSAZSA-N 1 0 384.929 2.911 20 0 GFADRO O=C(NCc1cccc(Cl)c1Cl)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000566689000 564338496 /nfs/dbraw/zinc/33/84/96/564338496.db2.gz HXNRTMZFZHLEFF-GFCCVEGCSA-N 1 0 399.244 2.629 20 0 GFADRO CC1CC[NH+](C[C@@H](O)CNC(=O)c2cc(Cl)ccc2OC(F)F)CC1 ZINC000476467629 564340778 /nfs/dbraw/zinc/34/07/78/564340778.db2.gz NPXBZRXRFQKTNP-ZDUSSCGKSA-N 1 0 376.831 2.764 20 0 GFADRO CC[C@H]([NH2+]CCCNS(=O)(=O)c1ccccc1Br)C1CC1 ZINC000566753650 564341063 /nfs/dbraw/zinc/34/10/63/564341063.db2.gz SIERZIOFHJKXML-AWEZNQCLSA-N 1 0 375.332 2.896 20 0 GFADRO C[C@H](CCc1c(F)cccc1F)[NH2+]C[C@H](O)CS(=O)(=O)c1cccs1 ZINC000510682778 564343924 /nfs/dbraw/zinc/34/39/24/564343924.db2.gz NHJNHMWGOXUXMX-OLZOCXBDSA-N 1 0 389.489 2.772 20 0 GFADRO O=S(=O)(c1ccc(C[NH2+][C@@H]2CCC[C@@H]2CCCF)s1)N1CCOCC1 ZINC000510699583 564344099 /nfs/dbraw/zinc/34/40/99/564344099.db2.gz ZPGQFYOVGRKHQU-GDBMZVCRSA-N 1 0 390.546 2.777 20 0 GFADRO C[C@@]1([NH2+]Cc2cc(=O)n3cc(Br)ccc3n2)CCO[C@@H]1C1CC1 ZINC000543238353 564344150 /nfs/dbraw/zinc/34/41/50/564344150.db2.gz AOMPZZLFJUGQCI-IAGOWNOFSA-N 1 0 378.270 2.504 20 0 GFADRO COc1ccc(Br)cc1C(=O)CCC(=O)NC[C@@H](C)C[NH+](C)C ZINC000566813391 564344655 /nfs/dbraw/zinc/34/46/55/564344655.db2.gz MXKDBDHQNKWXDN-GFCCVEGCSA-N 1 0 385.302 2.735 20 0 GFADRO O=C([C@@H]1C[N@@H+]2CCN1CCC2)N(Cc1cccc(Br)c1)CC1CC1 ZINC000476561130 564345235 /nfs/dbraw/zinc/34/52/35/564345235.db2.gz AUHMUYQVNZIMBQ-SFHVURJKSA-N 1 0 392.341 2.578 20 0 GFADRO CC[C@H]1C[N@H+](CC)CCN1C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000451734533 564346206 /nfs/dbraw/zinc/34/62/06/564346206.db2.gz BWRVIUHNUZTNIR-JKSUJKDBSA-N 1 0 389.309 2.744 20 0 GFADRO CS(=O)(=O)N[C@H]1CCCC[C@@H]1[NH2+]Cc1ccccc1OCC(F)(F)F ZINC000510762103 564346654 /nfs/dbraw/zinc/34/66/54/564346654.db2.gz HROHJPFBGLDLLW-KBPBESRZSA-N 1 0 380.432 2.578 20 0 GFADRO CCc1nsc(N2CCC[N@@H+](CCCN(CC)CC(F)(F)F)CC2)n1 ZINC000543444863 564351676 /nfs/dbraw/zinc/35/16/76/564351676.db2.gz BGPPYVJRBVKSII-UHFFFAOYSA-N 1 0 379.496 2.887 20 0 GFADRO O=C1NC2(CCCC2)C(=O)N1CC[NH2+][C@@H]1CCc2ccc(Br)cc21 ZINC000511000031 564352909 /nfs/dbraw/zinc/35/29/09/564352909.db2.gz PZNLDTGZFOJQRN-OAHLLOKOSA-N 1 0 392.297 2.891 20 0 GFADRO C[NH+](C)CCN(C(=O)c1cnn(-c2ccc(Br)cc2)c1)C1CC1 ZINC000476824273 564354696 /nfs/dbraw/zinc/35/46/96/564354696.db2.gz QIWWDBIAAPZMLI-UHFFFAOYSA-N 1 0 377.286 2.801 20 0 GFADRO C[C@@H](O)C[N@@H+]1CCN(C(=O)CCCc2ccccc2Br)[C@H](C)C1 ZINC000476869948 564356799 /nfs/dbraw/zinc/35/67/99/564356799.db2.gz MXAXGCOZZRKNMQ-HUUCEWRRSA-N 1 0 383.330 2.685 20 0 GFADRO O=S(=O)(c1ccccc1OC(F)(F)F)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000567166964 564359951 /nfs/dbraw/zinc/35/99/51/564359951.db2.gz ZTMHIOBMQKIRKE-OLZOCXBDSA-N 1 0 378.416 2.595 20 0 GFADRO CCC[N@H+](CC)CCNC(=O)c1ccc(F)c(I)c1 ZINC000476989611 564360966 /nfs/dbraw/zinc/36/09/66/564360966.db2.gz JFSSIJQJCOHUJC-UHFFFAOYSA-N 1 0 378.229 2.892 20 0 GFADRO CC[C@H]([NH2+]C[C@H](O)COc1ccccc1C(F)(F)F)[C@H](O)C(F)(F)F ZINC000567235602 564362992 /nfs/dbraw/zinc/36/29/92/564362992.db2.gz RBBFYNSCFQLTJI-GAFUQQFSSA-N 1 0 375.309 2.737 20 0 GFADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NCCCc1ccc(Cl)cc1Cl ZINC000477098635 564364433 /nfs/dbraw/zinc/36/44/33/564364433.db2.gz KGUVCXVZZMYDSV-ZDUSSCGKSA-N 1 0 388.339 2.889 20 0 GFADRO COc1ccc(Cl)cc1NC(=O)CC[N@@H+]1CC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000451902531 564364517 /nfs/dbraw/zinc/36/45/17/564364517.db2.gz HZVBVDSARQXLGK-BONVTDFDSA-N 1 0 380.794 2.922 20 0 GFADRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N[C@@H](CCO)c1ccccc1Br ZINC000543824721 564365155 /nfs/dbraw/zinc/36/51/55/564365155.db2.gz ODZPWLQNHFPSDU-DQYPLSBCSA-N 1 0 396.329 2.655 20 0 GFADRO CS[C@H]1CN(S(=O)(=O)c2ccccc2C(F)(F)F)C[C@H]1[NH+]1CCCC1 ZINC000477143115 564366944 /nfs/dbraw/zinc/36/69/44/564366944.db2.gz JAJZOPLFSLLCPA-KGLIPLIRSA-N 1 0 394.484 2.906 20 0 GFADRO CS[C@H]1CN(S(=O)(=O)c2cccc(Cl)c2F)C[C@H]1[NH+]1CCCC1 ZINC000477141864 564367195 /nfs/dbraw/zinc/36/71/95/564367195.db2.gz WMPKOZMNNJCRGL-OLZOCXBDSA-N 1 0 378.922 2.679 20 0 GFADRO CCC[NH2+][C@@H](C)C(=O)Nc1nc(-c2ccc(NS(C)(=O)=O)cc2)cs1 ZINC000567347766 564367693 /nfs/dbraw/zinc/36/76/93/564367693.db2.gz HZFLUFOZBYCQAM-NSHDSACASA-N 1 0 382.511 2.508 20 0 GFADRO COC[C@]1(CO)CC[N@H+](CC(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)C1 ZINC000451933161 564369402 /nfs/dbraw/zinc/36/94/02/564369402.db2.gz UILNDGPRMJEUAY-YVEFUNNKSA-N 1 0 375.296 2.501 20 0 GFADRO CCCc1c(C(=O)N[C@@H](C)CC[NH3+])nnn1Cc1cccc(Br)c1 ZINC000477221497 564369594 /nfs/dbraw/zinc/36/95/94/564369594.db2.gz KKZICGNXNWBWMD-LBPRGKRZSA-N 1 0 394.317 2.509 20 0 GFADRO [NH3+][C@@H]1C[C@@H](N[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)c2ccccc21 ZINC000567490105 564373293 /nfs/dbraw/zinc/37/32/93/564373293.db2.gz QPTYSFPBMILHGW-KBRIMQKVSA-N 1 0 377.535 2.636 20 0 GFADRO CC[N@@H+]1CCN(Cc2noc(Cc3ccc(Br)cc3)n2)[C@@H](C)C1 ZINC000511541591 564375746 /nfs/dbraw/zinc/37/57/46/564375746.db2.gz MACVJDULHYMVCH-ZDUSSCGKSA-N 1 0 379.302 2.949 20 0 GFADRO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@@H+]2CC(=O)N(C)Cc1cc(Br)cs1 ZINC000511624250 564377238 /nfs/dbraw/zinc/37/72/38/564377238.db2.gz BOBHXLJRLCPFBG-WSBUHRGFSA-N 1 0 399.354 2.824 20 0 GFADRO C[C@@H]1CCC(C)(C)[N@@H+]1CC(=O)NCC(=O)Nc1ccccc1Br ZINC000452003838 564380584 /nfs/dbraw/zinc/38/05/84/564380584.db2.gz GQXQNYGEQRMPNF-GFCCVEGCSA-N 1 0 382.302 2.767 20 0 GFADRO C[NH+](C)[C@H]1CCC[C@H](NCc2cn(-c3ccccc3Br)nn2)C1 ZINC000567652993 564381411 /nfs/dbraw/zinc/38/14/11/564381411.db2.gz BDGFZLPHZFZFEH-ZFWWWQNUSA-N 1 0 378.318 2.992 20 0 GFADRO C[NH+](C)C[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1Br ZINC000544348233 564383328 /nfs/dbraw/zinc/38/33/28/564383328.db2.gz KXFXMBHXAYQQSD-LLVKDONJSA-N 1 0 381.723 2.817 20 0 GFADRO O[C@@H](C[NH2+]CCOC(F)(F)F)COc1ccc(Cl)cc1Br ZINC000567699532 564383542 /nfs/dbraw/zinc/38/35/42/564383542.db2.gz RMVVHTOIDUTJIU-VIFPVBQESA-N 1 0 392.599 2.968 20 0 GFADRO COc1ccc(C[NH2+][C@@H]2CCCN(c3cnn(C)c3)C2)c(Br)c1 ZINC000511998215 564388520 /nfs/dbraw/zinc/38/85/20/564388520.db2.gz ZDRXTJSUQCKFTF-CQSZACIVSA-N 1 0 379.302 2.950 20 0 GFADRO C[C@@H]([NH2+][C@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1)C1CC1 ZINC000477914792 564390439 /nfs/dbraw/zinc/39/04/39/564390439.db2.gz AEHVGRVWESMILF-DOMZBBRYSA-N 1 0 387.343 2.990 20 0 GFADRO Cc1cnn(C)c1C[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000512069080 564390454 /nfs/dbraw/zinc/39/04/54/564390454.db2.gz VNWQZXFYUQOBTM-UHFFFAOYSA-N 1 0 379.302 2.617 20 0 GFADRO C[C@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH2+]CC1(CO)COC1 ZINC000512054052 564390705 /nfs/dbraw/zinc/39/07/05/564390705.db2.gz UOBCAWQUWJGCJO-SNVBAGLBSA-N 1 0 380.794 2.674 20 0 GFADRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)NCC1(c2cccc(Br)c2)CCOCC1 ZINC000567819319 564391088 /nfs/dbraw/zinc/39/10/88/564391088.db2.gz FLDYLFBFMDZVGC-ZIAGYGMSSA-N 1 0 398.345 2.922 20 0 GFADRO C[C@@H]([NH2+]Cc1ncc(I)s1)[C@@H](O)Cc1ccccc1 ZINC000512085021 564391220 /nfs/dbraw/zinc/39/12/20/564391220.db2.gz ZWUDBSUZMZPXNM-PWSUYJOCSA-N 1 0 388.274 2.829 20 0 GFADRO C[C@@]1(CNC(=O)[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)CCC[NH2+]C1 ZINC000567839272 564391614 /nfs/dbraw/zinc/39/16/14/564391614.db2.gz DNNTYHOPFFSFJR-FZKQIMNGSA-N 1 0 384.307 2.852 20 0 GFADRO CCCOc1c(Br)cc(C(=O)N[C@H](CC[NH3+])C(F)F)cc1OC ZINC000567849194 564392081 /nfs/dbraw/zinc/39/20/81/564392081.db2.gz OHSUMSAUSQVXEJ-LLVKDONJSA-N 1 0 395.244 2.959 20 0 GFADRO CC(C)(C)C[C@H](CO)[NH2+]CCS(=O)(=O)c1cccc(Br)c1 ZINC000567872707 564393662 /nfs/dbraw/zinc/39/36/62/564393662.db2.gz FBZNIBDKDCAGFG-CYBMUJFWSA-N 1 0 378.332 2.610 20 0 GFADRO C[NH+](C)CC1(NC(=O)c2ccn(-c3ccc(Br)cc3)n2)CCC1 ZINC000512165899 564393992 /nfs/dbraw/zinc/39/39/92/564393992.db2.gz IIWWRSUWUZDREZ-UHFFFAOYSA-N 1 0 377.286 2.849 20 0 GFADRO CNC(=O)[C@@H](C)C[N@H+](C)[C@H](C)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000478051186 564394197 /nfs/dbraw/zinc/39/41/97/564394197.db2.gz AHXHNBRTBNPMBV-VHSXEESVSA-N 1 0 379.810 3.000 20 0 GFADRO FC(F)[C@H]1C[NH2+]CCN1Cc1nc(-c2ccc(Br)s2)no1 ZINC000567889740 564394668 /nfs/dbraw/zinc/39/46/68/564394668.db2.gz PTAZVEVQFMSFCO-SSDOTTSWSA-N 1 0 379.230 2.600 20 0 GFADRO C[NH+](C)CCOc1cc(C(=O)NCc2csc(Br)c2)ccn1 ZINC000512304381 564397201 /nfs/dbraw/zinc/39/72/01/564397201.db2.gz JCYTZTQSDXXHCI-UHFFFAOYSA-N 1 0 384.299 2.776 20 0 GFADRO COc1ccc(Br)cc1-c1nc(CN2CCO[C@@H](C[NH3+])C2)cs1 ZINC000478245724 564397658 /nfs/dbraw/zinc/39/76/58/564397658.db2.gz BBWWIHJKVSUURJ-ZDUSSCGKSA-N 1 0 398.326 2.741 20 0 GFADRO COc1cc(C[NH2+]C[C@H]2CCCS(=O)(=O)C2)ccc1OCC(F)(F)F ZINC000568026185 564401363 /nfs/dbraw/zinc/40/13/63/564401363.db2.gz AOZIMEQEZDGUDE-CYBMUJFWSA-N 1 0 381.416 2.551 20 0 GFADRO C[C@@H]1C[C@@H](N2CCOCC2)C[N@@H+]1C[C@H](O)COc1c(Cl)cccc1Cl ZINC000512450253 564402119 /nfs/dbraw/zinc/40/21/19/564402119.db2.gz QEOUJQDTKXXGDX-KFWWJZLASA-N 1 0 389.323 2.528 20 0 GFADRO CC[C@H](Cc1cccc(Br)c1)C(=O)NC[C@@H]1CCC[N@@H+]1CCCO ZINC000452358043 564407885 /nfs/dbraw/zinc/40/78/85/564407885.db2.gz FSCZWDJASKMTQU-AEFFLSMTSA-N 1 0 397.357 2.981 20 0 GFADRO O=C(c1scnc1C(F)(F)F)N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000568197231 564408392 /nfs/dbraw/zinc/40/83/92/564408392.db2.gz ZQORULAGAGGJIQ-GFCCVEGCSA-N 1 0 377.432 2.879 20 0 GFADRO O=C(CSc1cccc(C(F)(F)F)c1)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000452377696 564410394 /nfs/dbraw/zinc/41/03/94/564410394.db2.gz SAETXOXTTJRKJJ-CQSZACIVSA-N 1 0 376.444 2.761 20 0 GFADRO O=C(CCC(=O)c1cc(Cl)sc1Cl)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000452379680 564411164 /nfs/dbraw/zinc/41/11/64/564411164.db2.gz CWRYJNJSJLSBJT-LLVKDONJSA-N 1 0 393.336 2.981 20 0 GFADRO O=C(CCCc1ccccc1Br)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000452386299 564411771 /nfs/dbraw/zinc/41/17/71/564411771.db2.gz WSPWZJJUCCMNQG-INIZCTEOSA-N 1 0 383.330 2.735 20 0 GFADRO COc1ccc2nc(C[NH2+]C[C@@H]3CCCC[C@H]3NS(C)(=O)=O)sc2c1 ZINC000512855360 564413486 /nfs/dbraw/zinc/41/34/86/564413486.db2.gz GRMLNZBAEPJCRG-GXTWGEPZSA-N 1 0 383.539 2.503 20 0 GFADRO Cc1ccc(C[NH2+]C[C@H]2CCCC[C@H]2NS(C)(=O)=O)c(Br)c1 ZINC000512850830 564413998 /nfs/dbraw/zinc/41/39/98/564413998.db2.gz LFLJCJKUFTWMTG-GDBMZVCRSA-N 1 0 389.359 2.955 20 0 GFADRO COc1cc(C[NH2+]C[C@@H]2CCCC[C@@H]2NS(C)(=O)=O)cc(Cl)c1OC ZINC000512862615 564414717 /nfs/dbraw/zinc/41/47/17/564414717.db2.gz VQPJXCGPBVJSOW-ZFWWWQNUSA-N 1 0 390.933 2.555 20 0 GFADRO CS(=O)(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccccc1OCC(F)(F)F ZINC000513002463 564417855 /nfs/dbraw/zinc/41/78/55/564417855.db2.gz ZLFYQJMGWBMPOA-CQSZACIVSA-N 1 0 380.432 2.531 20 0 GFADRO Cc1nn(C(C)C)cc1C[NH2+]CCNS(=O)(=O)c1ccc(Cl)cc1C ZINC000513012022 564418179 /nfs/dbraw/zinc/41/81/79/564418179.db2.gz LYADPFMHVLPFMW-UHFFFAOYSA-N 1 0 384.933 2.802 20 0 GFADRO CC(C)(C)C(=O)N1CCC([NH2+][C@H](C(N)=O)c2cccc(Br)c2)CC1 ZINC000478976984 564420828 /nfs/dbraw/zinc/42/08/28/564420828.db2.gz PUGQIOUDEHFZMD-HNNXBMFYSA-N 1 0 396.329 2.602 20 0 GFADRO O[C@H](C[NH2+][C@@H]1CCN(c2ccc(Cl)cc2Cl)C1)COC1CCOCC1 ZINC000568501898 564421197 /nfs/dbraw/zinc/42/11/97/564421197.db2.gz HSVKVNVPGXMQHM-HUUCEWRRSA-N 1 0 389.323 2.718 20 0 GFADRO COC(=O)C[C@](C)([NH2+]CCCN1CCOCC1)c1ccc(Br)cc1 ZINC000513116376 564421225 /nfs/dbraw/zinc/42/12/25/564421225.db2.gz DKGRDRSBGIZNBV-SFHVURJKSA-N 1 0 399.329 2.539 20 0 GFADRO CC[NH+]1CCN(CCC(=O)NC/C=C\c2ccc(Br)cc2)CC1 ZINC000452613409 564422505 /nfs/dbraw/zinc/42/25/05/564422505.db2.gz NIJDDDFGKOIOBE-ARJAWSKDSA-N 1 0 380.330 2.606 20 0 GFADRO Cn1cc2c(n1)CCC[C@@H]2[NH2+]CCCNC(=O)c1ccc(Br)cc1 ZINC000479049680 564423209 /nfs/dbraw/zinc/42/32/09/564423209.db2.gz BHVMUWXRLIEJRF-INIZCTEOSA-N 1 0 391.313 2.970 20 0 GFADRO NC(=O)[C@@H]1CCCN1CCC[NH2+][C@@H]1CCCc2cc(Br)ccc21 ZINC000479080110 564425283 /nfs/dbraw/zinc/42/52/83/564425283.db2.gz NOUJCEJDDPVROB-SJORKVTESA-N 1 0 380.330 2.756 20 0 GFADRO C[C@@H](N[C@H]1CC[N@@H+](C2CC2)C1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000479079511 564425358 /nfs/dbraw/zinc/42/53/58/564425358.db2.gz QIJLROYYKNELGW-ZJUUUORDSA-N 1 0 378.325 2.528 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H](C)c2ncc(Br)cn2)[C@H](C)C1 ZINC000568600229 564425718 /nfs/dbraw/zinc/42/57/18/564425718.db2.gz HDLSHPGGVRFOBB-DYEKYZERSA-N 1 0 384.322 2.672 20 0 GFADRO CC1(C)CC[C@@H](C[NH2+]C[C@@H](O)COc2cc(F)cc(Br)c2)O1 ZINC000568621728 564426737 /nfs/dbraw/zinc/42/67/37/564426737.db2.gz FTNBQCOQYKGYJP-KGLIPLIRSA-N 1 0 376.266 2.875 20 0 GFADRO Cn1cc(C[N@H+]2CC=C(c3ccc(Cl)c(Cl)c3)CC2)c(=O)n(C)c1=O ZINC000513388384 564428683 /nfs/dbraw/zinc/42/86/83/564428683.db2.gz DKXWMGTYOZHOKF-UHFFFAOYSA-N 1 0 380.275 2.680 20 0 GFADRO O=S(=O)(CC1CC1)N1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000479174413 564429375 /nfs/dbraw/zinc/42/93/75/564429375.db2.gz DZVBAWQMUJPBID-UHFFFAOYSA-N 1 0 376.444 2.953 20 0 GFADRO C[C@H]1CN(Cc2cc(Br)cc(Br)c2)CC[N@@H+]1CCO ZINC000568682143 564429610 /nfs/dbraw/zinc/42/96/10/564429610.db2.gz OSXQEJOZVWOGGO-NSHDSACASA-N 1 0 392.135 2.710 20 0 GFADRO CC[NH+](CC)CCCNC(=O)c1ccc(NS(=O)(=O)CC)cc1Cl ZINC000479162705 564429644 /nfs/dbraw/zinc/42/96/44/564429644.db2.gz VREHULXHZGVSSN-UHFFFAOYSA-N 1 0 375.922 2.563 20 0 GFADRO C[C@@H](NC(=O)C(=O)N(C)Cc1cccc(Br)c1)C(C)(C)C[NH+](C)C ZINC000513464437 564430462 /nfs/dbraw/zinc/43/04/62/564430462.db2.gz YCCJKTYAFHDINW-CYBMUJFWSA-N 1 0 398.345 2.500 20 0 GFADRO CS(=O)(=O)NC[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(Sc2ccccn2)o1 ZINC000513526753 564430999 /nfs/dbraw/zinc/43/09/99/564430999.db2.gz VZSWPTCRNYGTBN-DZGCQCFKSA-N 1 0 381.523 2.633 20 0 GFADRO O=C(CCOc1cccc(Cl)c1Cl)NC[C@H]1CCC[N@H+]1CCCO ZINC000452787125 564431032 /nfs/dbraw/zinc/43/10/32/564431032.db2.gz YZLCAVGRODVZKV-CYBMUJFWSA-N 1 0 375.296 2.725 20 0 GFADRO CN(Cc1cc(Br)ccc1OC(F)F)C1CC[NH+](CCO)CC1 ZINC000513526517 564431358 /nfs/dbraw/zinc/43/13/58/564431358.db2.gz VECXNRVZCOFLNG-UHFFFAOYSA-N 1 0 393.272 2.939 20 0 GFADRO C[C@H](Cc1ccc(O)cc1)[NH2+]CCNS(=O)(=O)c1ccc(F)cc1Cl ZINC000513543746 564431952 /nfs/dbraw/zinc/43/19/52/564431952.db2.gz YMHYASMPRVRCTL-GFCCVEGCSA-N 1 0 386.876 2.684 20 0 GFADRO C[C@H](C[NH+]1CCOCC1)C(=O)N1CC[C@H](c2cccc(Br)c2)C1 ZINC000452847578 564433978 /nfs/dbraw/zinc/43/39/78/564433978.db2.gz NKFPCMLIIGFVJZ-ZBFHGGJFSA-N 1 0 381.314 2.733 20 0 GFADRO C[C@H](Cc1ccc(Br)cc1)[NH2+]CCCN1CCC[C@H]1C(=O)N(C)C ZINC000479288625 564434382 /nfs/dbraw/zinc/43/43/82/564434382.db2.gz UJGFGBKHBFLPHQ-QAPCUYQASA-N 1 0 396.373 2.912 20 0 GFADRO CC1=CC[N@H+](CCNC(=O)c2csc(I)c2)CC1 ZINC000545868886 564434680 /nfs/dbraw/zinc/43/46/80/564434680.db2.gz HNZHHCIXFVHJPO-UHFFFAOYSA-N 1 0 376.263 2.735 20 0 GFADRO CCOc1cc(Br)ccc1NC(=O)N[C@@H]1CC[N@H+](CCOC)C1 ZINC000479281787 564434820 /nfs/dbraw/zinc/43/48/20/564434820.db2.gz LJXZHJVCYDMJSH-CYBMUJFWSA-N 1 0 386.290 2.690 20 0 GFADRO CC(C)[N@@H+]1CC[C@H](CNc2ncnc3cccc(I)c32)C1 ZINC000545869771 564434928 /nfs/dbraw/zinc/43/49/28/564434928.db2.gz MYBVANOGGFGTNP-GFCCVEGCSA-N 1 0 396.276 3.377 20 0 GFADRO CC1(C)NC(=O)N(CC[N@H+]2CC=C(c3cccc(Br)c3)CC2)C1=O ZINC000545882013 564435553 /nfs/dbraw/zinc/43/55/53/564435553.db2.gz SBZIRCHRWOXYIS-UHFFFAOYSA-N 1 0 392.297 2.869 20 0 GFADRO Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)[NH2+]C[C@@H](c1cccs1)N(C)C ZINC000479364495 564437681 /nfs/dbraw/zinc/43/76/81/564437681.db2.gz SCLPZEQPYOJXCN-HOCLYGCPSA-N 1 0 381.567 2.966 20 0 GFADRO C[C@@H](OC[C@H](O)C[NH2+]CCC1CCS(=O)(=O)CC1)c1ccc(Cl)cc1 ZINC000568857626 564438061 /nfs/dbraw/zinc/43/80/61/564438061.db2.gz JOFLUGYZIFCKGK-RDTXWAMCSA-N 1 0 389.945 2.583 20 0 GFADRO C[C@@H]1CCc2ccc(Br)cc2[C@@H]([NH2+]CC(=O)N2CCOCC2)C1 ZINC000479410018 564439118 /nfs/dbraw/zinc/43/91/18/564439118.db2.gz GEPUMXTUAYBCNK-DYVFJYSZSA-N 1 0 381.314 2.911 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc(Br)cc(Br)c3)C[C@@H]21 ZINC000452975595 564440243 /nfs/dbraw/zinc/44/02/43/564440243.db2.gz NLKXRRIKYQBRLN-RNCFNFMXSA-N 1 0 388.103 2.988 20 0 GFADRO C[C@H](N[C@@H]1CCC[N@H+](C)[C@H]1C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000479458509 564440668 /nfs/dbraw/zinc/44/06/68/564440668.db2.gz VLNRPTBDHLODSX-PKFCDNJMSA-N 1 0 380.341 2.774 20 0 GFADRO CNS(=O)(=O)CC[NH2+][C@@H]1C[C@@H](C)CCc2ccc(Br)cc21 ZINC000479455767 564440679 /nfs/dbraw/zinc/44/06/79/564440679.db2.gz ONWVHKIWICIRNT-XHDPSFHLSA-N 1 0 375.332 2.601 20 0 GFADRO CC(C)[N@@H+](Cc1cccc(Br)c1)C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000513904144 564442263 /nfs/dbraw/zinc/44/22/63/564442263.db2.gz REBMSBCVDRDROI-HNNXBMFYSA-N 1 0 389.359 2.941 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[C@]34CCc3cc(Br)ccc34)C[C@@H]21 ZINC000453014676 564443067 /nfs/dbraw/zinc/44/30/67/564443067.db2.gz UQWMZGNNKHQYJD-DOEAQHAXSA-N 1 0 375.310 2.816 20 0 GFADRO COCC1(CNC(=O)c2cc3c(cc(Br)cc3F)[nH]2)CC[NH2+]CC1 ZINC000568995950 564444679 /nfs/dbraw/zinc/44/46/79/564444679.db2.gz JEELHAOVRIJJIJ-UHFFFAOYSA-N 1 0 398.276 2.816 20 0 GFADRO CN1CCN(C(=O)CC[NH2+]C2(c3cccc(Br)c3)CCC2)CC1 ZINC000514119691 564445431 /nfs/dbraw/zinc/44/54/31/564445431.db2.gz YTONJEICSMPRFE-UHFFFAOYSA-N 1 0 380.330 2.582 20 0 GFADRO CCN(CCC[NH2+][C@H](Cc1ccccc1Cl)[C@@H]1CCCO1)S(C)(=O)=O ZINC000453061586 564445516 /nfs/dbraw/zinc/44/55/16/564445516.db2.gz DFCGUSCSLDDGRF-MSOLQXFVSA-N 1 0 388.961 2.691 20 0 GFADRO COCC[C@](C)(O)C[NH2+][C@@H](C)c1ccc(F)c(I)c1 ZINC000453110632 564446965 /nfs/dbraw/zinc/44/69/65/564446965.db2.gz CRLZQIUXNSAGPR-HZMBPMFUSA-N 1 0 381.229 2.868 20 0 GFADRO COc1ccc2c(c1)C[C@@H]([NH2+]CC(=O)Nc1ccc(Br)cc1)CO2 ZINC000453100642 564447246 /nfs/dbraw/zinc/44/72/46/564447246.db2.gz ZXXMHWRDNDDFAA-OAHLLOKOSA-N 1 0 391.265 2.990 20 0 GFADRO O=C(Nc1ccc(SCC[NH+]2CCCCC2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000569106212 564448528 /nfs/dbraw/zinc/44/85/28/564448528.db2.gz YGRUSDTYJQCQKK-HNNXBMFYSA-N 1 0 382.551 2.638 20 0 GFADRO Cc1nc2cc(Cl)c(NC(=O)N3CCN([C@H]4CC[NH2+]C4)CC3)cc2s1 ZINC000569091206 564449033 /nfs/dbraw/zinc/44/90/33/564449033.db2.gz SKGDJALXYSFUAE-LBPRGKRZSA-N 1 0 379.917 2.770 20 0 GFADRO C[C@@H]([NH2+][C@@H]1CCc2ncnn2C1)c1ccc(F)c(I)c1 ZINC000453155084 564449212 /nfs/dbraw/zinc/44/92/12/564449212.db2.gz FBQMDSYEKWWSGM-MWLCHTKSSA-N 1 0 386.212 2.687 20 0 GFADRO CC[C@H](N[C@@H](C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1)C(F)F ZINC000453246128 564450371 /nfs/dbraw/zinc/45/03/71/564450371.db2.gz MIZBGQYTIPJCQY-BBRMVZONSA-N 1 0 377.501 2.611 20 0 GFADRO COc1ccc(CN2CC[NH+](CCOC(C)C)CC2)c(Br)c1O ZINC000546256513 564451531 /nfs/dbraw/zinc/45/15/31/564451531.db2.gz KIWYZFOKFIDIJO-UHFFFAOYSA-N 1 0 387.318 2.706 20 0 GFADRO CC[C@@H](CNS(C)(=O)=O)[NH2+][C@@H]1CCCOc2cc(Br)ccc21 ZINC000453274135 564451947 /nfs/dbraw/zinc/45/19/47/564451947.db2.gz CLZZXOFHAWLIFK-GXTWGEPZSA-N 1 0 391.331 2.580 20 0 GFADRO CO[C@@H]1COCC[C@@H]1C[NH2+][C@@H](C)c1ccc(I)cc1 ZINC000453288306 564452004 /nfs/dbraw/zinc/45/20/04/564452004.db2.gz JLEOOYRASREYEX-NJZAAPMLSA-N 1 0 375.250 2.993 20 0 GFADRO CC(=O)c1cc(Br)ccc1OCC(=O)N[C@H](C)C[N@@H+](C)C(C)C ZINC000569165469 564451972 /nfs/dbraw/zinc/45/19/72/564451972.db2.gz PQQUDZMXFAXJLZ-GFCCVEGCSA-N 1 0 385.302 2.875 20 0 GFADRO C[C@@H](N[C@@H](C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1)C(C)(F)F ZINC000453279534 564452206 /nfs/dbraw/zinc/45/22/06/564452206.db2.gz FWHDYVJHBFZQKC-UONOGXRCSA-N 1 0 377.501 2.611 20 0 GFADRO CC[C@@H](CNS(C)(=O)=O)[NH2+][C@H]1CCCOc2cc(Br)ccc21 ZINC000453274136 564452287 /nfs/dbraw/zinc/45/22/87/564452287.db2.gz CLZZXOFHAWLIFK-JSGCOSHPSA-N 1 0 391.331 2.580 20 0 GFADRO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)N[C@@H](CO)c1cccc(Br)c1 ZINC000514652237 564452783 /nfs/dbraw/zinc/45/27/83/564452783.db2.gz OZXUGXNXYRLJHN-JKSUJKDBSA-N 1 0 398.345 2.902 20 0 GFADRO COc1ccc(Br)cc1C[C@@H](CO)C[NH2+][C@H](C)c1cnn(C)c1 ZINC000453337240 564453704 /nfs/dbraw/zinc/45/37/04/564453704.db2.gz ATMGSJONVUPIIM-CHWSQXEVSA-N 1 0 382.302 2.693 20 0 GFADRO COc1ccc(Br)cc1C[C@H](CO)C[NH2+][C@@H](C)c1nccn1C ZINC000453349846 564453840 /nfs/dbraw/zinc/45/38/40/564453840.db2.gz GPCHGUIQPPUWNL-STQMWFEESA-N 1 0 382.302 2.693 20 0 GFADRO Cc1nn(Cc2cccc(Br)c2)c(C)c1C(=O)N[C@H](C)[C@@H](C)[NH3+] ZINC000514672573 564453924 /nfs/dbraw/zinc/45/39/24/564453924.db2.gz RXECLMGZQBBNME-GHMZBOCLSA-N 1 0 379.302 2.776 20 0 GFADRO Cc1ccc(C[C@@H](CO)C[NH2+][C@H](C)c2ccc(=O)[nH]n2)cc1Br ZINC000453344157 564453975 /nfs/dbraw/zinc/45/39/75/564453975.db2.gz DAEPHADVBVURCC-TZMCWYRMSA-N 1 0 380.286 2.755 20 0 GFADRO CNC(=O)C[C@@H](C)[NH2+][C@H]1CCCOc2ccc(I)cc21 ZINC000453343883 564454048 /nfs/dbraw/zinc/45/40/48/564454048.db2.gz CXLATWYFZWAUPQ-MFKMUULPSA-N 1 0 388.249 2.619 20 0 GFADRO CC[C@@H](Cn1cncn1)[NH2+]C[C@@H](CO)Cc1ccc(C)c(Br)c1 ZINC000453358873 564454961 /nfs/dbraw/zinc/45/49/61/564454961.db2.gz JALRPHMCNULZMY-HOTGVXAUSA-N 1 0 381.318 2.568 20 0 GFADRO COc1ccc(C[C@@H](CO)C[NH2+][C@@H]2CCn3ccnc32)cc1Br ZINC000453360222 564455227 /nfs/dbraw/zinc/45/52/27/564455227.db2.gz JSGVTLKAOIDLMO-UKRRQHHQSA-N 1 0 380.286 2.540 20 0 GFADRO CN(CCC[NH3+])C(=O)Nc1nc2ccc(I)cc2s1 ZINC000514719608 564455444 /nfs/dbraw/zinc/45/54/44/564455444.db2.gz FYAREAVWXXZWNM-UHFFFAOYSA-N 1 0 390.250 2.713 20 0 GFADRO COc1cc(Cl)c(Cl)cc1NC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000514788121 564457102 /nfs/dbraw/zinc/45/71/02/564457102.db2.gz GIFLZNMXWQBNRB-GXFFZTMASA-N 1 0 384.267 2.694 20 0 GFADRO CCn1c(-c2cc(Br)cn2C)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC000453474005 564457599 /nfs/dbraw/zinc/45/75/99/564457599.db2.gz ZHRJELCVOIRTQK-UHFFFAOYSA-N 1 0 395.349 2.987 20 0 GFADRO Cc1cc(Br)c(C[NH2+]C[C@@H]2CCC[C@@H]2NS(C)(=O)=O)s1 ZINC000453564287 564458089 /nfs/dbraw/zinc/45/80/89/564458089.db2.gz GMOMFPOUODFDFP-JQWIXIFHSA-N 1 0 381.361 2.627 20 0 GFADRO CCOC(=O)COc1c(Br)cc(C)cc1C[NH2+][C@H]1C[C@@H]1OCC ZINC000569304977 564458456 /nfs/dbraw/zinc/45/84/56/564458456.db2.gz RSFJQCPZCPHYGF-GJZGRUSLSA-N 1 0 386.286 2.966 20 0 GFADRO C[C@@H]([NH2+]CCN1CCO[C@@H](C)C1)c1ccc(F)c(I)c1 ZINC000514842172 564458801 /nfs/dbraw/zinc/45/88/01/564458801.db2.gz ZFALJDNNFSRJPA-NWDGAFQWSA-N 1 0 392.256 2.802 20 0 GFADRO FC(F)(F)COCCC[NH+]1CCN(c2cc(Br)ccn2)CC1 ZINC000480087628 564459584 /nfs/dbraw/zinc/45/95/84/564459584.db2.gz HESBYNVWGKFCMR-UHFFFAOYSA-N 1 0 382.224 2.935 20 0 GFADRO Cc1cc(Br)c(C[NH2+]CCCN2CCC[C@H]2C(=O)N(C)C)s1 ZINC000453586370 564459689 /nfs/dbraw/zinc/45/96/89/564459689.db2.gz JMCTZMSGEMCHAW-AWEZNQCLSA-N 1 0 388.375 2.851 20 0 GFADRO O=C(N[C@H](Cc1ccccn1)c1ccc(Br)cc1)N[C@H]1CC[NH2+]C1 ZINC000569381117 564460838 /nfs/dbraw/zinc/46/08/38/564460838.db2.gz UUAPEBQVUYBASM-DLBZAZTESA-N 1 0 389.297 2.789 20 0 GFADRO CCc1ncc(S(=O)(=O)N[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC000546598061 564461055 /nfs/dbraw/zinc/46/10/55/564461055.db2.gz IULQNIGMDPLBOT-GOEBONIOSA-N 1 0 379.551 2.894 20 0 GFADRO CN(Cc1cn(-c2ccccc2Br)nn1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000569399228 564461735 /nfs/dbraw/zinc/46/17/35/564461735.db2.gz KOABZXJJWSSWKV-OAHLLOKOSA-N 1 0 376.302 2.698 20 0 GFADRO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1c(C)ccc(F)c1Br ZINC000453647937 564461807 /nfs/dbraw/zinc/46/18/07/564461807.db2.gz SJZBVNVVHJOIDW-LLVKDONJSA-N 1 0 388.281 2.682 20 0 GFADRO C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+][C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000480173086 564462488 /nfs/dbraw/zinc/46/24/88/564462488.db2.gz VCXFWSNOSJMNNJ-LYRGGWFBSA-N 1 0 399.354 2.740 20 0 GFADRO C[C@@H](CCCC(F)(F)F)[NH2+]C1CCN(S(=O)(=O)C2CCOCC2)CC1 ZINC000480166843 564462540 /nfs/dbraw/zinc/46/25/40/564462540.db2.gz CCCSAIIVGLIBEQ-ZDUSSCGKSA-N 1 0 386.480 2.670 20 0 GFADRO C[C@@H](CCCC(F)(F)F)[NH2+]Cc1ccccc1S(=O)(=O)N(C)CCO ZINC000480193096 564463393 /nfs/dbraw/zinc/46/33/93/564463393.db2.gz DBUXHOGZJKJXKC-ZDUSSCGKSA-N 1 0 382.448 2.510 20 0 GFADRO CCS(=O)(=O)N1CCC(C[NH2+][C@@H](C)c2nc(C(F)(F)F)cs2)CC1 ZINC000546647069 564463835 /nfs/dbraw/zinc/46/38/35/564463835.db2.gz BILJABFEKSABLR-JTQLQIEISA-N 1 0 385.477 2.874 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CCN(S(=O)(=O)Cc2ccc(Cl)cc2Br)C1 ZINC000569457479 564464117 /nfs/dbraw/zinc/46/41/17/564464117.db2.gz VRFSIHUOXITAHD-NXEZZACHSA-N 1 0 381.723 2.601 20 0 GFADRO C[C@@H]1C[C@H]([NH2+][C@@H]2CCS(=O)(=O)c3ccc(Br)cc32)CN1C1CC1 ZINC000480204553 564464230 /nfs/dbraw/zinc/46/42/30/564464230.db2.gz YVJWXCNCCSHYID-PVXIVEMSSA-N 1 0 399.354 2.882 20 0 GFADRO COC[C@@]1(CNC(=O)Nc2cc(Br)cc3nc(C)oc32)CCC[NH2+]1 ZINC000515001719 564465928 /nfs/dbraw/zinc/46/59/28/564465928.db2.gz AIRBASBTOHPNMU-INIZCTEOSA-N 1 0 397.273 2.789 20 0 GFADRO COC[C@]1(CNC(=O)Nc2cc(Br)cc3nc(C)oc32)CCC[NH2+]1 ZINC000515001720 564465998 /nfs/dbraw/zinc/46/59/98/564465998.db2.gz AIRBASBTOHPNMU-MRXNPFEDSA-N 1 0 397.273 2.789 20 0 GFADRO CC(C)(C)[C@@H](O)C[NH2+][C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000480241673 564466256 /nfs/dbraw/zinc/46/62/56/564466256.db2.gz PUVFNTOCXOIYMG-OCCSQVGLSA-N 1 0 376.316 2.664 20 0 GFADRO C[C@H](Oc1ccccc1Br)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000480276699 564467076 /nfs/dbraw/zinc/46/70/76/564467076.db2.gz HZFNIDHUOVQSML-BLLLJJGKSA-N 1 0 387.343 2.770 20 0 GFADRO C[C@@H](Oc1ccc(Br)cc1)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000480276055 564467116 /nfs/dbraw/zinc/46/71/16/564467116.db2.gz RFRANPFJAIKVPO-MLGOLLRUSA-N 1 0 387.343 2.770 20 0 GFADRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)Nc1ccc(-c2ccc(Br)s2)nn1 ZINC000569556705 564468454 /nfs/dbraw/zinc/46/84/54/564468454.db2.gz VWDCFAXJKNLWOB-UWVGGRQHSA-N 1 0 396.314 3.169 20 0 GFADRO O=S1(=O)CC[C@H]([NH2+]C2CCN(C3CC3)CC2)c2cc(Br)ccc21 ZINC000480323709 564468426 /nfs/dbraw/zinc/46/84/26/564468426.db2.gz DTHIHYJNFPOSLU-INIZCTEOSA-N 1 0 399.354 2.884 20 0 GFADRO CC[C@@H]([NH3+])CNC(=O)c1cccc(NC(=O)c2ccc(Br)o2)c1 ZINC000569574652 564469280 /nfs/dbraw/zinc/46/92/80/564469280.db2.gz MBYADYSDUQVYAY-LLVKDONJSA-N 1 0 380.242 2.762 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)C(=O)N1CC[N@@H+](C2CC2)C[C@@H](C)C1 ZINC000453768619 564470619 /nfs/dbraw/zinc/47/06/19/564470619.db2.gz JDFARGCCHOTIFD-GFCCVEGCSA-N 1 0 394.313 2.639 20 0 GFADRO Cc1cc(Br)cn2cc(CCNC(=O)N(C)CCC[NH+](C)C)nc12 ZINC000546861103 564471586 /nfs/dbraw/zinc/47/15/86/564471586.db2.gz WYYUFZZYOGVYSB-UHFFFAOYSA-N 1 0 396.333 2.541 20 0 GFADRO C[C@@H](NCCc1ccc(S(=O)(=O)N2CCCCC2)s1)[C@@H]1CCCC[NH2+]1 ZINC000569684612 564474338 /nfs/dbraw/zinc/47/43/38/564474338.db2.gz MYMQAWUCGLZKNJ-WBVHZDCISA-N 1 0 385.599 2.585 20 0 GFADRO NC(=O)c1ncc(Br)cc1NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000480502911 564476083 /nfs/dbraw/zinc/47/60/83/564476083.db2.gz BFNFXPDZLJHOTL-CQSZACIVSA-N 1 0 389.297 2.877 20 0 GFADRO O[C@@H](C[NH2+]CCCOC1CCOCC1)COc1cc(Cl)ccc1Cl ZINC000515414334 564478424 /nfs/dbraw/zinc/47/84/24/564478424.db2.gz HOGJVRDWPSKEDJ-AWEZNQCLSA-N 1 0 378.296 2.908 20 0 GFADRO CN(CCn1cc(Br)cn1)C(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000515433290 564479069 /nfs/dbraw/zinc/47/90/69/564479069.db2.gz RAFBROSBCJOFFK-MRXNPFEDSA-N 1 0 391.313 2.626 20 0 GFADRO CC[N@H+](CCNC(=O)C(=O)NCc1c(C)cc(Br)cc1C)C(C)C ZINC000515494306 564480705 /nfs/dbraw/zinc/48/07/05/564480705.db2.gz LXNNISHLUYPVEP-UHFFFAOYSA-N 1 0 398.345 2.529 20 0 GFADRO CCN(CC)S(=O)(=O)c1ccc(CC[NH2+][C@@H](C)c2cncnc2C)s1 ZINC000569868061 564481123 /nfs/dbraw/zinc/48/11/23/564481123.db2.gz UJODEQQIVLVXDC-ZDUSSCGKSA-N 1 0 382.555 2.770 20 0 GFADRO C[C@H](C[NH2+][C@@H](C)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(F)(F)F ZINC000480662881 564481319 /nfs/dbraw/zinc/48/13/19/564481319.db2.gz KTMNHYNSIJJQRC-OLZOCXBDSA-N 1 0 380.432 2.557 20 0 GFADRO C[NH+]1CCN(c2cccc(-c3noc(-c4occc4Br)n3)n2)CC1 ZINC000547245858 564481805 /nfs/dbraw/zinc/48/18/05/564481805.db2.gz NBXCPTMNHXLRSP-UHFFFAOYSA-N 1 0 390.241 2.906 20 0 GFADRO O=S(=O)(NCC[NH2+][C@@H]1CCC[C@H]([C@@H]2CCOC2)C1)c1ccc(Cl)s1 ZINC000547361450 564486215 /nfs/dbraw/zinc/48/62/15/564486215.db2.gz YTFFSFZGZKYQGN-BFHYXJOUSA-N 1 0 392.974 2.865 20 0 GFADRO C[NH+](C)CC1(NC(=O)c2cnn(-c3ccc(Br)cc3)c2)CCC1 ZINC000547372923 564486284 /nfs/dbraw/zinc/48/62/84/564486284.db2.gz XUUBVCZJWQDYCU-UHFFFAOYSA-N 1 0 377.286 2.849 20 0 GFADRO C[C@H](CNS(=O)(=O)c1ccccc1OC(F)(F)F)[N@@H+]1CCC[C@@H](C)C1 ZINC000515737626 564486631 /nfs/dbraw/zinc/48/66/31/564486631.db2.gz YLTHVEYEWLYKSY-CHWSQXEVSA-N 1 0 380.432 2.984 20 0 GFADRO COc1ccc(S(=O)(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)c(Br)c1 ZINC000480805371 564489323 /nfs/dbraw/zinc/48/93/23/564489323.db2.gz YPMOURNSSXANSN-NSHDSACASA-N 1 0 393.347 2.712 20 0 GFADRO Cc1cc(Cl)ccc1S(=O)(=O)NCC[NH2+][C@@H](C)CC(=O)OC(C)(C)C ZINC000570066667 564489351 /nfs/dbraw/zinc/48/93/51/564489351.db2.gz HDUYOPORUWTLCQ-ZDUSSCGKSA-N 1 0 390.933 2.637 20 0 GFADRO Cc1c(Br)cccc1S(=O)(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000480825634 564489788 /nfs/dbraw/zinc/48/97/88/564489788.db2.gz GEPVUTVITGXJEF-DZGCQCFKSA-N 1 0 387.343 2.862 20 0 GFADRO COC[C@H]([NH2+][C@H]1CCS(=O)(=O)c2ccc(Br)cc21)C(C)C ZINC000547503761 564491426 /nfs/dbraw/zinc/49/14/26/564491426.db2.gz PJPPBZHWOOAHJR-KBPBESRZSA-N 1 0 376.316 2.928 20 0 GFADRO O=C(COC1CC[NH2+]CC1)NCCc1csc(-c2ccc(Cl)cc2)n1 ZINC000516070479 564492568 /nfs/dbraw/zinc/49/25/68/564492568.db2.gz GLUFGBBFGASXCD-UHFFFAOYSA-N 1 0 379.913 2.891 20 0 GFADRO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1Cc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000570147178 564493156 /nfs/dbraw/zinc/49/31/56/564493156.db2.gz LXJSLHHUPJMDDX-ZIAGYGMSSA-N 1 0 393.329 2.726 20 0 GFADRO C[C@H](NS(=O)(=O)c1ccc(Br)cn1)[C@@H](c1ccccc1)[NH+](C)C ZINC000480893214 564494070 /nfs/dbraw/zinc/49/40/70/564494070.db2.gz CCKMOVOZJXHZBX-LRDDRELGSA-N 1 0 398.326 2.814 20 0 GFADRO O=S(=O)(CC[NH2+]C[C@H]1COc2ccccc21)c1cccc(Br)c1 ZINC000570202428 564495073 /nfs/dbraw/zinc/49/50/73/564495073.db2.gz ILQANNRDCZQFCO-ZDUSSCGKSA-N 1 0 396.306 2.989 20 0 GFADRO COCCOc1c(Cl)cc(S(=O)(=O)NCCC[NH2+]C(C)C)cc1Cl ZINC000570212593 564496036 /nfs/dbraw/zinc/49/60/36/564496036.db2.gz URGHAXPQZZQCHW-UHFFFAOYSA-N 1 0 399.340 2.685 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C(C)C)C1 ZINC000454092042 564496783 /nfs/dbraw/zinc/49/67/83/564496783.db2.gz JFJWIHRRJTYEOS-AWEZNQCLSA-N 1 0 382.302 2.637 20 0 GFADRO C[N@H+](CCCCNC(=O)C(=O)Nc1ccc(F)c(Br)c1)C1CC1 ZINC000454108081 564498118 /nfs/dbraw/zinc/49/81/18/564498118.db2.gz QPJQUDNZMAHHOV-UHFFFAOYSA-N 1 0 386.265 2.517 20 0 GFADRO Cn1cc2c(n1)CCC[C@H]2[NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000516277421 564498853 /nfs/dbraw/zinc/49/88/53/564498853.db2.gz FCFAJIUVSFAWFC-CZUORRHYSA-N 1 0 398.276 2.729 20 0 GFADRO COc1c(Br)cc(CN2C[C@@H](C)[C@H]([NH3+])C2)cc1Br ZINC000516290909 564499093 /nfs/dbraw/zinc/49/90/93/564499093.db2.gz BNXNTEPXESNRQV-PRHODGIISA-N 1 0 378.108 2.999 20 0 GFADRO C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)c1cnn(-c2cccc(Br)c2)c1 ZINC000570322076 564501188 /nfs/dbraw/zinc/50/11/88/564501188.db2.gz UEQBGZIASISRDP-XHBSWPGZSA-N 1 0 377.286 2.751 20 0 GFADRO CC(C)COC[C@@H](O)C[NH2+][C@@H](C)c1ccccc1I ZINC000481169936 564505201 /nfs/dbraw/zinc/50/52/01/564505201.db2.gz CNSXIRPUEJMACV-STQMWFEESA-N 1 0 377.266 2.975 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCC[C@@H](S(C)(=O)=O)C1)c1ncc(Br)cc1F ZINC000547653936 564505967 /nfs/dbraw/zinc/50/59/67/564505967.db2.gz HFNZIUMMYPZPLM-MVWJERBFSA-N 1 0 379.295 2.990 20 0 GFADRO C[NH+](C)[C@@]1(CNC(=O)NCc2ccc(OC(F)(F)F)cc2)CCSC1 ZINC000481270382 564508621 /nfs/dbraw/zinc/50/86/21/564508621.db2.gz VKSDZWSTBRTSKK-OAHLLOKOSA-N 1 0 377.432 2.822 20 0 GFADRO CCc1nncn1CC[NH2+]Cc1nc(-c2cccc(Br)c2)c[nH]1 ZINC000547789665 564510645 /nfs/dbraw/zinc/51/06/45/564510645.db2.gz BXQXDLIRHNAHRN-UHFFFAOYSA-N 1 0 375.274 2.783 20 0 GFADRO CC(C)[NH+]1CCC(N(C)C(=O)c2ccc(I)cn2)CC1 ZINC000454456078 564510914 /nfs/dbraw/zinc/51/09/14/564510914.db2.gz ABXJMTWKIRQRMY-UHFFFAOYSA-N 1 0 387.265 2.631 20 0 GFADRO OC1CC[NH+](Cc2ccc(CNc3ccncc3Br)cc2)CC1 ZINC000547824891 564512411 /nfs/dbraw/zinc/51/24/11/564512411.db2.gz WSHDHYCQUGSGJL-UHFFFAOYSA-N 1 0 376.298 2.835 20 0 GFADRO O=C(NCc1cccs1)c1cc(NC(=O)N2CC[NH2+]CC2)ccc1Cl ZINC000516914912 564515997 /nfs/dbraw/zinc/51/59/97/564515997.db2.gz XJFQSSOUJZXPMS-UHFFFAOYSA-N 1 0 378.885 2.769 20 0 GFADRO Cc1nn(C)c(C)c1C[C@@H](C)[NH2+]C[C@H](O)COc1cccc(Br)c1 ZINC000570676003 564516795 /nfs/dbraw/zinc/51/67/95/564516795.db2.gz FEFXYUHGHMDIHY-WBMJQRKESA-N 1 0 396.329 2.760 20 0 GFADRO Cc1[nH]c(=O)c(C(=O)N2CCC([C@@H]3[NH2+]CC3(C)C)CC2)cc1Br ZINC000570717899 564518329 /nfs/dbraw/zinc/51/83/29/564518329.db2.gz HJQHWXDKYLMADZ-AWEZNQCLSA-N 1 0 382.302 2.708 20 0 GFADRO COCC[NH2+]C1CCN([C@@H](C(=O)OC)c2cccc(Cl)c2Cl)CC1 ZINC000570730464 564518611 /nfs/dbraw/zinc/51/86/11/564518611.db2.gz UATCQYJIOMYEPR-MRXNPFEDSA-N 1 0 375.296 2.908 20 0 GFADRO [NH3+]CC12CCC(CC1)CN2C(=O)c1cnn(-c2ccc(Br)cc2)c1 ZINC000516977850 564520068 /nfs/dbraw/zinc/52/00/68/564520068.db2.gz YJOCKDZOFMUYPC-UHFFFAOYSA-N 1 0 389.297 2.978 20 0 GFADRO CCOCC(C)(C)C[NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000570795273 564521348 /nfs/dbraw/zinc/52/13/48/564521348.db2.gz VADMXYNOCKQVET-CQSZACIVSA-N 1 0 378.282 2.980 20 0 GFADRO CCOC[C@H](O)C[NH2+]CCOc1ccc(Br)cc1C(F)(F)F ZINC000570837164 564523717 /nfs/dbraw/zinc/52/37/17/564523717.db2.gz ORVGEVBOMJULHV-LLVKDONJSA-N 1 0 386.208 2.834 20 0 GFADRO O=C(NC[C@H]1CCCC[N@H+]1CCO)Nc1c(F)cc(Br)cc1F ZINC000454872951 564525010 /nfs/dbraw/zinc/52/50/10/564525010.db2.gz QKEPYWQRLGUCQG-LLVKDONJSA-N 1 0 392.244 2.696 20 0 GFADRO COc1ccc(CC[NH2+][C@@H](C(N)=O)c2ccc(Br)cc2)c(OC)c1 ZINC000517168876 564526543 /nfs/dbraw/zinc/52/65/43/564526543.db2.gz NYNJFCMVABSWJW-QGZVFWFLSA-N 1 0 393.281 2.825 20 0 GFADRO C[NH+](C)Cc1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1Cl ZINC000481892242 564527353 /nfs/dbraw/zinc/52/73/53/564527353.db2.gz VKLHGNGMFUBUDV-UHFFFAOYSA-N 1 0 382.869 2.974 20 0 GFADRO C[C@H]1C[C@@H](C[NH3+])CN1S(=O)(=O)Cc1ccc(Cl)cc1Br ZINC000517235192 564528339 /nfs/dbraw/zinc/52/83/39/564528339.db2.gz FYZBPKJLYANVCG-UWVGGRQHSA-N 1 0 381.723 2.601 20 0 GFADRO Cc1cc(C)c(NC(=O)N2C[C@@H](C)N(CCO)[C@@H](C)C2)c(Br)c1 ZINC000454985002 564531148 /nfs/dbraw/zinc/53/11/48/564531148.db2.gz CXUZYCFKIFFRQK-OKILXGFUSA-N 1 0 384.318 2.985 20 0 GFADRO CCCOC[C@H](Cc1cccc(Br)c1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC000548142659 564532989 /nfs/dbraw/zinc/53/29/89/564532989.db2.gz CIGSVQCSZYZDIY-RDJZCZTQSA-N 1 0 383.330 2.855 20 0 GFADRO CCCOC[C@H](Cc1cccc(Br)c1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000548142660 564533352 /nfs/dbraw/zinc/53/33/52/564533352.db2.gz CIGSVQCSZYZDIY-WBVHZDCISA-N 1 0 383.330 2.855 20 0 GFADRO C[C@@H](CCc1ccc(I)cc1)[NH2+]CC(=O)NCC(F)F ZINC000482077873 564533548 /nfs/dbraw/zinc/53/35/48/564533548.db2.gz FLDBJUFIVXNQSO-JTQLQIEISA-N 1 0 396.219 2.583 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N[C@@H](C)C[N@@H+](C)C(C)C)cc1Br ZINC000517445856 564534483 /nfs/dbraw/zinc/53/44/83/564534483.db2.gz RLRYCJBBMSDRJO-ZDUSSCGKSA-N 1 0 384.318 2.849 20 0 GFADRO Cc1cc(NC(=O)C[NH2+][C@H](C2CC2)[C@@]2(CO)CCCO2)ccc1Br ZINC000571057748 564534546 /nfs/dbraw/zinc/53/45/46/564534546.db2.gz BSIHNHGMJOHVEP-MSOLQXFVSA-N 1 0 397.313 2.606 20 0 GFADRO CSCC[C@@H](C)N(C)C(=O)C(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000571084555 564535486 /nfs/dbraw/zinc/53/54/86/564535486.db2.gz VYZMKHWHVRMLGX-CZUORRHYSA-N 1 0 385.961 2.659 20 0 GFADRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)N1CCC(n2cc(Br)cn2)CC1 ZINC000517596616 564537759 /nfs/dbraw/zinc/53/77/59/564537759.db2.gz WYXQDIPCYXCQSK-HOTGVXAUSA-N 1 0 396.333 2.619 20 0 GFADRO CC(C)c1ccc(Cl)c(S(=O)(=O)N2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)c1 ZINC000517741518 564540985 /nfs/dbraw/zinc/54/09/85/564540985.db2.gz SMGVNNNBBWBQSJ-AEFFLSMTSA-N 1 0 386.945 2.980 20 0 GFADRO CCC[N@@H+]1CCC[C@H]1CNC(=O)Nc1cc2ccc(Br)cn2n1 ZINC000455246871 564544765 /nfs/dbraw/zinc/54/47/65/564544765.db2.gz OCKILLXKTKCLSN-AWEZNQCLSA-N 1 0 380.290 3.093 20 0 GFADRO CCC[C@H](C[NH2+]CCNS(=O)(=O)c1sc(=O)[nH]c1C)c1ccccc1 ZINC000482522152 564544950 /nfs/dbraw/zinc/54/49/50/564544950.db2.gz GZKFCNWEIHDERZ-OAHLLOKOSA-N 1 0 383.539 2.609 20 0 GFADRO Cn1ncc2c1CCC[C@@H]2[NH2+]C[C@H](O)COc1cccc(Br)c1 ZINC000571315106 564545853 /nfs/dbraw/zinc/54/58/53/564545853.db2.gz BJZYMPQSTYTYSF-BBRMVZONSA-N 1 0 380.286 2.590 20 0 GFADRO Cn1c2cc(Br)ccc2nc1C[N@@H+]1CCCC[C@@H]1[C@H]1CNC(=O)C1 ZINC000548275321 564546658 /nfs/dbraw/zinc/54/66/58/564546658.db2.gz LCMZTSSTDCQFDG-IUODEOHRSA-N 1 0 391.313 2.826 20 0 GFADRO C[N@@H+]1CC[C@H](c2nc(COc3ccc(I)cc3)no2)C1 ZINC000518258169 564548529 /nfs/dbraw/zinc/54/85/29/564548529.db2.gz YJLQIZXXXPVVQA-JTQLQIEISA-N 1 0 385.205 2.672 20 0 GFADRO COc1cc(NC(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)cc(OC)c1Br ZINC000571414942 564549936 /nfs/dbraw/zinc/54/99/36/564549936.db2.gz MJLBCOBLBDNZOQ-QJPTWQEYSA-N 1 0 398.301 2.976 20 0 GFADRO CC[NH+]1CCN(CCC(=O)N(C)Cc2ccc(F)cc2Br)CC1 ZINC000482798969 564550263 /nfs/dbraw/zinc/55/02/63/564550263.db2.gz LLGGJGVJNJWACR-UHFFFAOYSA-N 1 0 386.309 2.574 20 0 GFADRO O=C(c1cc2c(c(Br)c1)OCO2)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000571439479 564551874 /nfs/dbraw/zinc/55/18/74/564551874.db2.gz NVJAXCWMMFUXTA-VXGBXAGGSA-N 1 0 381.270 2.640 20 0 GFADRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)[C@@H](c1ccc(Br)cc1)N1CCCC1 ZINC000571441868 564551943 /nfs/dbraw/zinc/55/19/43/564551943.db2.gz OIUFBRDXICQCEG-RRQGHBQHSA-N 1 0 380.330 2.843 20 0 GFADRO C[NH+](C)Cc1ccsc1C(=O)NCC(=O)Nc1cccc(Br)c1 ZINC000482910001 564552358 /nfs/dbraw/zinc/55/23/58/564552358.db2.gz IXVYXICZDMCVHR-UHFFFAOYSA-N 1 0 396.310 2.941 20 0 GFADRO C[C@H]([NH2+]CCOc1cccc(S(C)(=O)=O)c1)c1ccc(Br)cn1 ZINC000482949310 564553654 /nfs/dbraw/zinc/55/36/54/564553654.db2.gz NNLQKBZEEWIIAL-LBPRGKRZSA-N 1 0 399.310 2.977 20 0 GFADRO COCc1nc(C(=O)N(CC[NH+](C)C)Cc2ccc(Br)cc2)co1 ZINC000548491838 564554040 /nfs/dbraw/zinc/55/40/40/564554040.db2.gz BKLXSUHDXDBRKA-UHFFFAOYSA-N 1 0 396.285 2.788 20 0 GFADRO C[C@]1(C[C@@H]2CCC[N@@H+]2Cc2csc(-c3ccsc3)n2)NC(=O)NC1=O ZINC000571567476 564557124 /nfs/dbraw/zinc/55/71/24/564557124.db2.gz MSDDOGCUPGTWKI-SUMWQHHRSA-N 1 0 376.507 2.824 20 0 GFADRO COCC[N@@H+]1CC[C@H](NC(=O)c2cnn(-c3ccc(Cl)cc3Cl)c2)C1 ZINC000518605502 564558038 /nfs/dbraw/zinc/55/80/38/564558038.db2.gz IZFYIJNTGQWXII-AWEZNQCLSA-N 1 0 383.279 2.630 20 0 GFADRO Cc1cc(NC(=O)NC[C@H]2CC[N@@H+](C)C2)nn1-c1ccc(Cl)c(Cl)c1 ZINC000571615770 564558949 /nfs/dbraw/zinc/55/89/49/564558949.db2.gz DVKDOQOOHZXBQP-GFCCVEGCSA-N 1 0 382.295 3.561 20 0 GFADRO CC[NH+](CC)CC[C@@H](CO)NC(=O)Nc1ccc(Br)c(C2CC2)n1 ZINC000455601722 564559770 /nfs/dbraw/zinc/55/97/70/564559770.db2.gz SSLCAWHFPHNWOV-ZDUSSCGKSA-N 1 0 399.333 2.936 20 0 GFADRO CN(C)[C@@]1(C[NH2+]C[C@@H](O)COc2c(Cl)cccc2Cl)CCSC1 ZINC000571634145 564560173 /nfs/dbraw/zinc/56/01/73/564560173.db2.gz JMKHTLFXBQABTE-MLGOLLRUSA-N 1 0 379.353 2.760 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)Nc2ccn(-c3ccc(Br)cc3)n2)CC[N@@H+]1C ZINC000455635957 564561266 /nfs/dbraw/zinc/56/12/66/564561266.db2.gz XLODEQCZRGLMNK-TZMCWYRMSA-N 1 0 392.301 3.239 20 0 GFADRO CC[N@@H+]1CCCN(C(=O)Nc2ccn(-c3ccc(Br)cc3)n2)CC1 ZINC000455636283 564561491 /nfs/dbraw/zinc/56/14/91/564561491.db2.gz XVYSGSUHCCRMEL-UHFFFAOYSA-N 1 0 392.301 3.194 20 0 GFADRO CS(=O)(=O)CC1(C[NH2+][C@@H](CO)c2ccc(Cl)cc2C(F)(F)F)CC1 ZINC000483262208 564561917 /nfs/dbraw/zinc/56/19/17/564561917.db2.gz WHONPQLNIRYAGW-ZDUSSCGKSA-N 1 0 385.835 2.807 20 0 GFADRO CC[NH+]1CCC(CNC(=O)NCc2cc(Br)cc3c2OCC3)CC1 ZINC000518853186 564563371 /nfs/dbraw/zinc/56/33/71/564563371.db2.gz MDELDRWFJQLEBH-UHFFFAOYSA-N 1 0 396.329 2.915 20 0 GFADRO C[C@H](Cc1ccccc1Br)NC(=O)Nc1ccnn1CC[NH+](C)C ZINC000455658758 564563516 /nfs/dbraw/zinc/56/35/16/564563516.db2.gz OGUKGLJWPZTLFF-CYBMUJFWSA-N 1 0 394.317 2.960 20 0 GFADRO CSCC[C@@H](CO)NC(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000483341956 564564331 /nfs/dbraw/zinc/56/43/31/564564331.db2.gz YEVFWQFSMXQTMO-KRWDZBQOSA-N 1 0 383.583 2.513 20 0 GFADRO CC[C@@H]1CN(C(=O)Nc2nc(CC(F)(F)F)cs2)CC[N@@H+]1C[C@@H](C)O ZINC000455728706 564566204 /nfs/dbraw/zinc/56/62/04/564566204.db2.gz QXUVMUCRGOYNOB-ZYHUDNBSSA-N 1 0 380.436 2.557 20 0 GFADRO CS[C@@H]1CN(C(=O)Cc2cc(Cl)cc3c2OCC3)C[C@@H]1[NH+]1CCCC1 ZINC000483399125 564566259 /nfs/dbraw/zinc/56/62/59/564566259.db2.gz YXHMKULMGOPXAQ-DLBZAZTESA-N 1 0 380.941 2.856 20 0 GFADRO C[C@@]1(CNC(=O)c2ccn(-c3cccc(Br)c3)n2)CCC[NH2+]C1 ZINC000571789641 564566326 /nfs/dbraw/zinc/56/63/26/564566326.db2.gz HTJOWCMKQXLELD-QGZVFWFLSA-N 1 0 377.286 2.754 20 0 GFADRO CCO[C@H](C)c1nc(CC(=O)N2C[C@@H](SC)[C@H]([NH+]3CCCC3)C2)cs1 ZINC000483410570 564567104 /nfs/dbraw/zinc/56/71/04/564567104.db2.gz QYPMCSVLZJFJQM-FVQBIDKESA-N 1 0 383.583 2.821 20 0 GFADRO CCc1ccc(S(=O)(=O)NCc2ccncc2OCCC[NH+](C)C)s1 ZINC000571835994 564568949 /nfs/dbraw/zinc/56/89/49/564568949.db2.gz OFWFDSSDONYMBN-UHFFFAOYSA-N 1 0 383.539 2.515 20 0 GFADRO Cc1c2cc(Cl)ccc2sc1CNC(=O)C(=O)NCC1CC[NH2+]CC1 ZINC000519122093 564570381 /nfs/dbraw/zinc/57/03/81/564570381.db2.gz PQFRQRXSSPHKKA-UHFFFAOYSA-N 1 0 379.913 2.595 20 0 GFADRO NC(=O)[C@H]1CC[C@H](C[NH2+]C[C@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000571875733 564570646 /nfs/dbraw/zinc/57/06/46/564570646.db2.gz WYQOENQVCPQSQH-AVGNSLFASA-N 1 0 375.296 2.614 20 0 GFADRO CC[NH+](CC)CCN(C(=O)[C@H]1C[C@@]12CCOC2)c1ccc(Br)cn1 ZINC000571926801 564572470 /nfs/dbraw/zinc/57/24/70/564572470.db2.gz FQUZMWWJMMZTJW-CRAIPNDOSA-N 1 0 396.329 2.946 20 0 GFADRO CO[C@H]1CCCC[C@H]1[NH2+]CCS(=O)(=O)c1ccc(Br)cc1 ZINC000483732343 564573572 /nfs/dbraw/zinc/57/35/72/564573572.db2.gz USARYWRHEIEQJF-CABCVRRESA-N 1 0 376.316 2.770 20 0 GFADRO C[C@H]1C[C@@H](N(C)C(=O)Nc2cc(N(C)C)c(Br)cn2)CC[N@@H+]1C ZINC000455860580 564575386 /nfs/dbraw/zinc/57/53/86/564575386.db2.gz FHWMOHKZFJTOJH-RYUDHWBXSA-N 1 0 384.322 2.857 20 0 GFADRO C[C@@H](CNC(=O)Nc1cc(N(C)C)c(Br)cn1)C[NH+]1CCCC1 ZINC000455858336 564575519 /nfs/dbraw/zinc/57/55/19/564575519.db2.gz BFVILQBLODYTHX-LBPRGKRZSA-N 1 0 384.322 2.764 20 0 GFADRO COC(=O)c1cc(Br)c(F)cc1NC(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000519400875 564576743 /nfs/dbraw/zinc/57/67/43/564576743.db2.gz UGWSTGVJCVHHQT-SFYZADRCSA-N 1 0 376.226 2.622 20 0 GFADRO C[C@]1(c2cccc(Br)c2)NC(=O)N(CC[NH+]2CCCCC2)C1=O ZINC000519459815 564578203 /nfs/dbraw/zinc/57/82/03/564578203.db2.gz BJXDZTNFIYAALE-QGZVFWFLSA-N 1 0 380.286 2.702 20 0 GFADRO Cn1cc(Br)cc(NC(=O)NCC[N@H+](C)C2CCCCC2)c1=O ZINC000483934468 564578279 /nfs/dbraw/zinc/57/82/79/564578279.db2.gz PDCZLKQXMPNQPZ-UHFFFAOYSA-N 1 0 385.306 2.534 20 0 GFADRO COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000572102029 564580562 /nfs/dbraw/zinc/58/05/62/564580562.db2.gz JFMBKEALAQNYJR-KRWDZBQOSA-N 1 0 386.279 2.543 20 0 GFADRO C[NH+]1CCC(Oc2ccc(Cl)cc2NC(=O)NCC(F)(F)CO)CC1 ZINC000455951422 564581169 /nfs/dbraw/zinc/58/11/69/564581169.db2.gz ZLQYFJGDPVWVLT-UHFFFAOYSA-N 1 0 377.819 2.562 20 0 GFADRO Cc1ccc(F)c(NC(=O)C(=O)NCC[N@H+]2CC=C(C)CC2)c1Br ZINC000484063769 564581690 /nfs/dbraw/zinc/58/16/90/564581690.db2.gz GRWRBJLXDAAJGS-UHFFFAOYSA-N 1 0 398.276 2.603 20 0 GFADRO C[C@H](C[NH2+][C@@H](C)c1ccccc1I)CN1CCOCC1 ZINC000484147525 564582298 /nfs/dbraw/zinc/58/22/98/564582298.db2.gz SFGDABASKPZZIY-KGLIPLIRSA-N 1 0 388.293 2.910 20 0 GFADRO CN(C(=O)NCC[C@@H]1CCC[NH2+]C1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000519592926 564582472 /nfs/dbraw/zinc/58/24/72/564582472.db2.gz PEFZGPYXYLEPIE-JECHBYEQSA-N 1 0 386.323 2.983 20 0 GFADRO C[C@H](C[NH2+][C@H](C)c1ccccc1I)CN1CCOCC1 ZINC000484147531 564582615 /nfs/dbraw/zinc/58/26/15/564582615.db2.gz SFGDABASKPZZIY-ZIAGYGMSSA-N 1 0 388.293 2.910 20 0 GFADRO CNS(=O)(=O)CCC[NH2+][C@@H]1CCN(C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000549036817 564584540 /nfs/dbraw/zinc/58/45/40/564584540.db2.gz SHPAXZVCGVULBR-IAGOWNOFSA-N 1 0 391.940 2.532 20 0 GFADRO NC(=O)c1ccc(C[NH2+][C@@H]2CCCOc3ccc(Br)cc32)cn1 ZINC000484299239 564586026 /nfs/dbraw/zinc/58/60/26/564586026.db2.gz FAVQWVOXOFBHIY-CQSZACIVSA-N 1 0 376.254 2.947 20 0 GFADRO O=C(Cc1cccc(Br)c1)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000572258386 564587002 /nfs/dbraw/zinc/58/70/02/564587002.db2.gz KSJACUWJNVWZLO-UHFFFAOYSA-N 1 0 395.341 2.953 20 0 GFADRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]Cc2csc(Br)c2)c1 ZINC000572262005 564587177 /nfs/dbraw/zinc/58/71/77/564587177.db2.gz PVCRSHPCIYHHET-LBPRGKRZSA-N 1 0 387.255 2.948 20 0 GFADRO COCCN(C)C[C@@H](O)C[NH2+][C@@](C)(c1ccc(Br)cc1)C(C)C ZINC000519703855 564587836 /nfs/dbraw/zinc/58/78/36/564587836.db2.gz LCJZPQJUVHIRJZ-ZWKOTPCHSA-N 1 0 387.362 2.849 20 0 GFADRO CS(=O)(=O)N1CCC[C@H](C[NH2+]C2(c3ccc(Cl)cc3)CCOCC2)C1 ZINC000484517352 564590457 /nfs/dbraw/zinc/59/04/57/564590457.db2.gz LMUVQQPAPGJFDW-OAHLLOKOSA-N 1 0 386.945 2.607 20 0 GFADRO COc1cc(Br)ccc1CCCNC(=O)NCC1CC[NH2+]CC1 ZINC000572347093 564590459 /nfs/dbraw/zinc/59/04/59/564590459.db2.gz VORUZMQSEAVZNF-UHFFFAOYSA-N 1 0 384.318 2.689 20 0 GFADRO CS(=O)(=O)N1CC[C@H]([NH2+][C@@H]2CCCCc3cc(Br)ccc32)C1 ZINC000519826676 564592290 /nfs/dbraw/zinc/59/22/90/564592290.db2.gz LJBWVVCQKKRODD-GOEBONIOSA-N 1 0 387.343 2.840 20 0 GFADRO O[C@@H](C[NH2+]C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1)Cn1cccn1 ZINC000519820086 564592471 /nfs/dbraw/zinc/59/24/71/564592471.db2.gz OSMGLKMXDZALNA-INIZCTEOSA-N 1 0 383.323 2.805 20 0 GFADRO CC[NH+](CC)C[C@H](C)NC(=O)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000519994926 564596325 /nfs/dbraw/zinc/59/63/25/564596325.db2.gz DZWCNAXDXPIHLU-UONOGXRCSA-N 1 0 396.329 2.649 20 0 GFADRO C[C@@H]1C[C@@H](C(=O)Nc2cc(Br)ccc2N2CC[N@H+](C)C[C@@H]2C)CO1 ZINC000456354929 564601775 /nfs/dbraw/zinc/60/17/75/564601775.db2.gz BPXRJCOZKZVPFX-BFHYXJOUSA-N 1 0 396.329 2.953 20 0 GFADRO CC(C)(C)[N@@H+]1C[C@@H](C(=O)N2CC[S@@](=O)C(C)(C)CC2)[C@H](C(F)(F)F)C1 ZINC000456362583 564602072 /nfs/dbraw/zinc/60/20/72/564602072.db2.gz HQOHGOUIWSTARJ-FUIYZNBFSA-N 1 0 382.492 2.655 20 0 GFADRO CN(C)C1(C[NH2+]C[C@H](O)COc2ccc(Cl)cc2Br)CCC1 ZINC000520398740 564603496 /nfs/dbraw/zinc/60/34/96/564603496.db2.gz BJMLWYRMDIAKBG-ZDUSSCGKSA-N 1 0 391.737 2.916 20 0 GFADRO O=C(CC[NH2+][C@H]1CCCC(F)(F)[C@@H]1O)Nc1cccc(Br)c1 ZINC000520407650 564603548 /nfs/dbraw/zinc/60/35/48/564603548.db2.gz MBQNJUQQICRPHF-GXTWGEPZSA-N 1 0 377.229 2.916 20 0 GFADRO C[C@H]1C[N@H+](C)CCN1c1ccc(Br)cc1NC(=O)[C@H]1CCOC1 ZINC000456381135 564604545 /nfs/dbraw/zinc/60/45/45/564604545.db2.gz WOLHXVBWQRXSBY-STQMWFEESA-N 1 0 382.302 2.564 20 0 GFADRO CC[NH+](CC)CC[C@@H](CO)NC(=O)C1(Cc2ccccc2Br)CC1 ZINC000520427048 564604729 /nfs/dbraw/zinc/60/47/29/564604729.db2.gz ZHSRPKFSPUYCRA-INIZCTEOSA-N 1 0 397.357 2.981 20 0 GFADRO C[C@@H](Oc1ccc(Br)cc1)C(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000485123581 564607108 /nfs/dbraw/zinc/60/71/08/564607108.db2.gz ZMKITOKOGFMZGW-CQSZACIVSA-N 1 0 399.329 2.786 20 0 GFADRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1c1nnc(-c2cc(Br)c[nH]2)n1C ZINC000520557481 564607730 /nfs/dbraw/zinc/60/77/30/564607730.db2.gz QWXQIFWXWXNSPH-WCQYABFASA-N 1 0 379.306 2.636 20 0 GFADRO CNC(=O)c1ccc(NC(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)cc1Cl ZINC000572733971 564608401 /nfs/dbraw/zinc/60/84/01/564608401.db2.gz RIOOQVPUMIZPBY-CQSZACIVSA-N 1 0 381.929 2.856 20 0 GFADRO CC1CC[NH+](CCCNC(=O)C(=O)NCc2ccc(Cl)cc2Cl)CC1 ZINC000549919636 564609032 /nfs/dbraw/zinc/60/90/32/564609032.db2.gz FCVYIXKTGYYSGB-UHFFFAOYSA-N 1 0 386.323 2.848 20 0 GFADRO C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)NCc2cccs2)[C@@H]1c1cccs1 ZINC000549943359 564610507 /nfs/dbraw/zinc/61/05/07/564610507.db2.gz WQPHBMDZODUYCN-XJKSGUPXSA-N 1 0 377.535 2.625 20 0 GFADRO C[NH+](C)CCCC(C)(C)NS(=O)(=O)c1cc2c(cc1Cl)CCC(=O)N2 ZINC000520730643 564611218 /nfs/dbraw/zinc/61/12/18/564611218.db2.gz AHPNGTXNFMMJIY-UHFFFAOYSA-N 1 0 387.933 2.623 20 0 GFADRO Cc1cc(C)c(Br)c(C(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])c1 ZINC000520796638 564613094 /nfs/dbraw/zinc/61/30/94/564613094.db2.gz XBGIGROAWYVXEX-CQSZACIVSA-N 1 0 396.329 2.526 20 0 GFADRO Cc1cc(C)c(Br)c(C(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])c1 ZINC000520796634 564613132 /nfs/dbraw/zinc/61/31/32/564613132.db2.gz XBGIGROAWYVXEX-AWEZNQCLSA-N 1 0 396.329 2.526 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2C(=O)c1cccc(F)c1Br ZINC000485409926 564614275 /nfs/dbraw/zinc/61/42/75/564614275.db2.gz QJHJJLYMSJSYAA-KCPJHIHWSA-N 1 0 385.277 2.912 20 0 GFADRO CC(C)(CO)[C@H]([NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1)C1CC1 ZINC000550102920 564614803 /nfs/dbraw/zinc/61/48/03/564614803.db2.gz WCHFMRYALXOQJB-GDBMZVCRSA-N 1 0 390.293 2.715 20 0 GFADRO COC(=O)c1cc(NC(=O)NC[C@@]2([NH+](C)C)CCSC2)cc(Cl)c1F ZINC000485401279 564614930 /nfs/dbraw/zinc/61/49/30/564614930.db2.gz DKMUARSDWBVEGD-INIZCTEOSA-N 1 0 389.880 2.825 20 0 GFADRO CC[NH+](CC)CCS(=O)(=O)NC(C)(C)c1ccccc1Br ZINC000520897930 564615716 /nfs/dbraw/zinc/61/57/16/564615716.db2.gz QTKNSDBCCFZENW-UHFFFAOYSA-N 1 0 377.348 2.945 20 0 GFADRO COc1ccc(Br)c(CC(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)c1 ZINC000572991313 564617767 /nfs/dbraw/zinc/61/77/67/564617767.db2.gz NUKZJGFNBUSOAG-FUHWJXTLSA-N 1 0 389.293 2.872 20 0 GFADRO CC1(C)C[C@H]([NH2+]C[C@@H](O)COc2cc(F)cc(Br)c2)CCO1 ZINC000572992267 564617900 /nfs/dbraw/zinc/61/79/00/564617900.db2.gz AKWDGLDRTYTTBF-ZIAGYGMSSA-N 1 0 376.266 2.875 20 0 GFADRO O=C(NCCOc1ccc(Br)cc1)[C@@H]1C[NH2+]Cc2ccccc21 ZINC000572997571 564618608 /nfs/dbraw/zinc/61/86/08/564618608.db2.gz AXHIFWNXRGZLBA-QGZVFWFLSA-N 1 0 375.266 2.831 20 0 GFADRO C[C@@H]1Cc2cc(S(=O)(=O)N3CCC([C@H]4CC[NH2+]C4)CC3)cc(Cl)c2O1 ZINC000573119695 564623413 /nfs/dbraw/zinc/62/34/13/564623413.db2.gz JWWKEKLXMUEDJA-OCCSQVGLSA-N 1 0 384.929 2.674 20 0 GFADRO O=C(NCCNc1cc[nH+]cc1)C1(c2cc(F)cc(Br)c2)CC1 ZINC000485708801 564623594 /nfs/dbraw/zinc/62/35/94/564623594.db2.gz MWQDGXGWIUSUKM-UHFFFAOYSA-N 1 0 378.245 2.665 20 0 GFADRO CN(C)c1cc(NC(=O)c2ccc(C[NH+](C)C)nc2)ncc1Br ZINC000456680548 564624869 /nfs/dbraw/zinc/62/48/69/564624869.db2.gz VTBRDYFNHPOYMD-UHFFFAOYSA-N 1 0 378.274 2.619 20 0 GFADRO Cc1cccc(C(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)c1I ZINC000521425850 564626638 /nfs/dbraw/zinc/62/66/38/564626638.db2.gz ZOJDIAGTBFENLL-INIZCTEOSA-N 1 0 384.261 2.815 20 0 GFADRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)C(=O)NCc1c(Cl)cccc1Cl ZINC000550722952 564629582 /nfs/dbraw/zinc/62/95/82/564629582.db2.gz JVLSWXBHXRHDLO-CYBMUJFWSA-N 1 0 386.323 2.942 20 0 GFADRO C[C@@H]([NH2+]C[C@@H]1CCCCN1S(=O)(=O)N(C)C)c1cc2c(s1)CCCC2 ZINC000573284412 564631058 /nfs/dbraw/zinc/63/10/58/564631058.db2.gz YQQBUMIMCYRHQU-ZBFHGGJFSA-N 1 0 385.599 2.938 20 0 GFADRO [NH3+][C@H]1CCc2ncc(NC(=O)NCc3cccc(Br)c3)cc2C1 ZINC000521585791 564631365 /nfs/dbraw/zinc/63/13/65/564631365.db2.gz XAUAWFWFIFPMJZ-AWEZNQCLSA-N 1 0 375.270 2.982 20 0 GFADRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)[C@H]1CC(=O)Nc2ccc(Br)cc21 ZINC000485932251 564632048 /nfs/dbraw/zinc/63/20/48/564632048.db2.gz YJCVTAFSKIUQLU-WPGHFRTFSA-N 1 0 394.313 2.674 20 0 GFADRO O=C(c1cc2c(c(Br)c1)OCO2)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000521690424 564633910 /nfs/dbraw/zinc/63/39/10/564633910.db2.gz OHBGGVFZIYQMIM-CYBMUJFWSA-N 1 0 381.270 2.878 20 0 GFADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@@H](C)[C@H](O)Cc1ccccc1 ZINC000550940697 564633953 /nfs/dbraw/zinc/63/39/53/564633953.db2.gz VUANDEIUIAYWTE-JKIFEVAISA-N 1 0 379.298 2.581 20 0 GFADRO CN(C(=O)c1ccn(-c2ccc(Br)cc2)n1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000551015060 564635752 /nfs/dbraw/zinc/63/57/52/564635752.db2.gz UNDMZXYPHUQCML-INIZCTEOSA-N 1 0 389.297 2.944 20 0 GFADRO CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)NCc2c(Cl)cccc2Cl)C1 ZINC000551105195 564638115 /nfs/dbraw/zinc/63/81/15/564638115.db2.gz MFQHYJPRWZUYQJ-CYBMUJFWSA-N 1 0 386.323 2.800 20 0 GFADRO CC(C)c1ccc(Cl)c(S(=O)(=O)NCCCCN2CC[NH+](C)CC2)c1 ZINC000551167241 564640099 /nfs/dbraw/zinc/64/00/99/564640099.db2.gz ARPBOULVPFBMLQ-UHFFFAOYSA-N 1 0 387.977 2.769 20 0 GFADRO Cc1sc2ncnc(SCC(=O)N(C)[C@H]3C[NH+]4CCC3CC4)c2c1C ZINC000522042120 564642500 /nfs/dbraw/zinc/64/25/00/564642500.db2.gz KWELDMJQHFZGAG-AWEZNQCLSA-N 1 0 376.551 2.953 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N[C@H]2C[N@H+](C3CC3)C[C@H]2C)cc1Br ZINC000486207354 564643499 /nfs/dbraw/zinc/64/34/99/564643499.db2.gz SYJJBYFWZRVJAA-WBMJQRKESA-N 1 0 394.313 2.603 20 0 GFADRO CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+]Cc2cc(Cl)ccc2N2CCOCC2)C1 ZINC000551302974 564645809 /nfs/dbraw/zinc/64/58/09/564645809.db2.gz ZLSPHFISMIKXCD-DLBZAZTESA-N 1 0 386.945 2.622 20 0 GFADRO Cn1cc(Br)c(C(=O)NC[C@@H](c2ccc(Cl)cc2)[NH+](C)C)n1 ZINC000551344481 564647221 /nfs/dbraw/zinc/64/72/21/564647221.db2.gz VDKXBMKHWWZFNW-ZDUSSCGKSA-N 1 0 385.693 2.869 20 0 GFADRO C[N@H+](CCSc1ccnc2cc(Cl)ccc21)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000573660534 564649031 /nfs/dbraw/zinc/64/90/31/564649031.db2.gz FFUTUBRNXZUBFL-CQSZACIVSA-N 1 0 399.969 2.946 20 0 GFADRO OCC[N@@H+](Cc1cccc(Br)c1)C[C@H](O)Cc1ccc(F)cc1 ZINC000573702336 564650471 /nfs/dbraw/zinc/65/04/71/564650471.db2.gz HUKNZTXTHDYIJH-GOSISDBHSA-N 1 0 382.273 2.986 20 0 GFADRO CC(C)OC1CC([NH2+]CC(=O)Nc2ccc(I)cc2)C1 ZINC000551583155 564656033 /nfs/dbraw/zinc/65/60/33/564656033.db2.gz HXHDEMKCCDBHQK-UHFFFAOYSA-N 1 0 388.249 2.775 20 0 GFADRO COc1ccc([C@@H]2CCN(C(=O)CSCC(F)(F)F)C[C@@H]2[NH3+])cc1F ZINC000457388467 564659692 /nfs/dbraw/zinc/65/96/92/564659692.db2.gz VHGOLAHPDUYZGB-AAEUAGOBSA-N 1 0 380.407 2.773 20 0 GFADRO Cc1cccc(C[C@H](CO)[NH2+]C[C@H](O)COc2cccc(Br)c2)c1 ZINC000573966876 564662920 /nfs/dbraw/zinc/66/29/20/564662920.db2.gz ODIUVGIQYRNJOE-MSOLQXFVSA-N 1 0 394.309 2.690 20 0 GFADRO COC(=O)c1ccc(CN2CC[N@H+](CC(C)(C)O)[C@H](C)C2)c(Br)c1 ZINC000551805711 564664412 /nfs/dbraw/zinc/66/44/12/564664412.db2.gz JLCKCXGJBRFNMT-CYBMUJFWSA-N 1 0 399.329 2.513 20 0 GFADRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)NCc2n[nH]cc2Br)C1 ZINC000523384613 564665920 /nfs/dbraw/zinc/66/59/20/564665920.db2.gz HDRJUHLRXHJZCR-GXTWGEPZSA-N 1 0 392.301 2.807 20 0 GFADRO CCC[NH+]1CCN(C(=O)C[C@H](NC(C)=O)c2ccc(Br)cc2)CC1 ZINC000486797839 564666449 /nfs/dbraw/zinc/66/64/49/564666449.db2.gz QTWMUKVSRSXUFC-KRWDZBQOSA-N 1 0 396.329 2.571 20 0 GFADRO Cc1cc(C[NH2+]C[C@@H]2CC(=O)N(C)[C@H]2c2nccn2C)sc1Br ZINC000551902126 564667244 /nfs/dbraw/zinc/66/72/44/564667244.db2.gz CXCNMPZHCTZUCL-SMDDNHRTSA-N 1 0 397.342 2.862 20 0 GFADRO C[NH+](C)[C@@H]1CCN(c2ccc(NC(=O)c3cc(Br)co3)nc2)C1 ZINC000457685034 564668991 /nfs/dbraw/zinc/66/89/91/564668991.db2.gz SDEXDAKPGIHEIM-CYBMUJFWSA-N 1 0 379.258 2.830 20 0 GFADRO Cc1cc(Br)c(C(=O)NC(C)(C)CC[NH+]2CCN(C)CC2)s1 ZINC000457714645 564670178 /nfs/dbraw/zinc/67/01/78/564670178.db2.gz LIMRGYIICGBYSV-UHFFFAOYSA-N 1 0 388.375 2.965 20 0 GFADRO O=C(Cc1ccc(F)cc1Br)N1CC[C@H](OCC[NH+]2CCCC2)C1 ZINC000486941731 564670593 /nfs/dbraw/zinc/67/05/93/564670593.db2.gz LYPTZGVSIJOHIV-INIZCTEOSA-N 1 0 399.304 2.844 20 0 GFADRO C[C@@H](Sc1ccc(Cl)cc1)C(=O)N1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000574392328 564671578 /nfs/dbraw/zinc/67/15/78/564671578.db2.gz OUOTXFYNXCTZIR-DOMZBBRYSA-N 1 0 379.917 2.735 20 0 GFADRO CC(C)[N@H+](C)CCNC(=O)NCCNc1ncc(C(F)(F)F)cc1Cl ZINC000523889230 564674030 /nfs/dbraw/zinc/67/40/30/564674030.db2.gz NVXAIPIOUBOSEM-UHFFFAOYSA-N 1 0 381.830 2.805 20 0 GFADRO Cc1cc(S(=O)(=O)NC[C@H]2CCC[C@H]([NH3+])C2)c(F)cc1Br ZINC000574452703 564674242 /nfs/dbraw/zinc/67/42/42/564674242.db2.gz JIRSYMHBJDPPKD-QWRGUYRKSA-N 1 0 379.295 2.692 20 0 GFADRO O=C(NCCNc1ncc(Cl)cc1Cl)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000574546729 564678286 /nfs/dbraw/zinc/67/82/86/564678286.db2.gz OCOYPBDLDFIFMH-ZDUSSCGKSA-N 1 0 386.327 2.831 20 0 GFADRO CC[C@@H]1CN(CC[NH2+]Cc2cn(-c3ccc(Cl)c(Cl)c3)nn2)CCO1 ZINC000487171656 564678533 /nfs/dbraw/zinc/67/85/33/564678533.db2.gz MBPFHWKTOIHMJK-OAHLLOKOSA-N 1 0 384.311 2.775 20 0 GFADRO COC(=O)C[C@](C)(NC(=O)[C@H]1C[N@H+](C)C[C@H]1C)c1ccc(Br)cc1 ZINC000487311772 564682975 /nfs/dbraw/zinc/68/29/75/564682975.db2.gz UPSCXFVVEWQBRD-MRAWALMUSA-N 1 0 397.313 2.541 20 0 GFADRO C[C@H]1CCN(C(=O)CCNc2ncc(C(F)(F)F)cc2Cl)C[C@H]1C[NH3+] ZINC000574690702 564684495 /nfs/dbraw/zinc/68/44/95/564684495.db2.gz KDGFSWKKFKCYMI-WDEREUQCSA-N 1 0 378.826 2.999 20 0 GFADRO CC[C@H]([NH2+]CCNS(=O)(=O)c1cccc(Cl)c1Cl)c1cnn(C)c1 ZINC000552321347 564685997 /nfs/dbraw/zinc/68/59/97/564685997.db2.gz OISFHXFVFOGBPU-ZDUSSCGKSA-N 1 0 391.324 2.746 20 0 GFADRO C[C@@H]1CC[N@H+](CCNC(=O)c2nn(-c3ccc(F)cc3)cc2Br)C1 ZINC000524720851 564686444 /nfs/dbraw/zinc/68/64/44/564686444.db2.gz FSYIYHGVYMPHDR-GFCCVEGCSA-N 1 0 395.276 2.846 20 0 GFADRO C[C@@H]1CC[N@H+](CCNC(=O)c2cnn(-c3ccc(Br)cc3)c2)C1 ZINC000524775800 564687058 /nfs/dbraw/zinc/68/70/58/564687058.db2.gz SOWGZIQIWRLJOY-CYBMUJFWSA-N 1 0 377.286 2.706 20 0 GFADRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)N(CCO)Cc1cccc(Br)c1 ZINC000487458716 564689144 /nfs/dbraw/zinc/68/91/44/564689144.db2.gz CDGXIYSKKQBGQX-QGZVFWFLSA-N 1 0 398.345 2.827 20 0 GFADRO COCCN(Cc1ccc(Br)s1)C(=O)[C@H]1C[N@H+](C)C[C@@H]1C ZINC000487617845 564693003 /nfs/dbraw/zinc/69/30/03/564693003.db2.gz NORLZEZRZQENMY-AAEUAGOBSA-N 1 0 375.332 2.683 20 0 GFADRO CO[C@H]1CCN(C(=O)c2cc(C)nc3cc(Br)ccc32)[C@@H](C[NH3+])C1 ZINC000575184933 564693499 /nfs/dbraw/zinc/69/34/99/564693499.db2.gz HLHJBLAUGUTNDK-KGLIPLIRSA-N 1 0 392.297 2.884 20 0 GFADRO C[N@@H+]1CCC[C@H](CCNC(=O)CCCS(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000458228519 564694286 /nfs/dbraw/zinc/69/42/86/564694286.db2.gz UXSXKYKHUUPGDZ-OAHLLOKOSA-N 1 0 386.945 2.742 20 0 GFADRO C[NH+](C)CC(C)(C)NC(=O)NCCc1ccc(I)s1 ZINC000458228706 564694439 /nfs/dbraw/zinc/69/44/39/564694439.db2.gz DTUICHBAAPDVDF-UHFFFAOYSA-N 1 0 395.310 2.535 20 0 GFADRO O=C1COc2ccccc2N1CCC[NH2+]Cc1ccc(Br)cn1 ZINC000525195454 564694918 /nfs/dbraw/zinc/69/49/18/564694918.db2.gz UKWNWPCHRUMONV-UHFFFAOYSA-N 1 0 376.254 2.749 20 0 GFADRO C[C@H](NC(=O)NCC(=O)Nc1cccc(Br)c1)C(C)(C)C[NH+](C)C ZINC000487805670 564696697 /nfs/dbraw/zinc/69/66/97/564696697.db2.gz WKROTVYKNOHSIN-LBPRGKRZSA-N 1 0 399.333 2.663 20 0 GFADRO FC(F)Oc1ccc(C[NH2+]CCN2CCCOCC2)cc1Br ZINC000575368606 564697558 /nfs/dbraw/zinc/69/75/58/564697558.db2.gz MKDNKGNVQIYXOP-UHFFFAOYSA-N 1 0 379.245 2.862 20 0 GFADRO O=S(=O)(c1cccc(OC(F)(F)F)c1F)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000575419167 564698736 /nfs/dbraw/zinc/69/87/36/564698736.db2.gz VYKLKKSPXPWEAB-NSHDSACASA-N 1 0 382.379 2.583 20 0 GFADRO Cc1cc(C(C)(C)C(=O)N2CCN(CCO)[C@H](C)C2)ccc1Br ZINC000575632088 564701337 /nfs/dbraw/zinc/70/13/37/564701337.db2.gz LVPDIERCBYKLDC-CQSZACIVSA-N 1 0 383.330 2.560 20 0 GFADRO C[NH+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CC(=O)Nc2ccc(Br)cc21 ZINC000575744077 564702711 /nfs/dbraw/zinc/70/27/11/564702711.db2.gz YBJMHCZAESBJJL-UKRRQHHQSA-N 1 0 394.313 2.818 20 0 GFADRO COC[C@@H](C)OC[C@@H](O)C[NH2+][C@H]1C[C@H](c2ccc(F)c(Br)c2)C1 ZINC000575743727 564703158 /nfs/dbraw/zinc/70/31/58/564703158.db2.gz ZEIWLWLJWDLHAF-NGFQHRJXSA-N 1 0 390.293 2.836 20 0 GFADRO C[NH+](C)CCOC1CCN(S(=O)(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000525601270 564703574 /nfs/dbraw/zinc/70/35/74/564703574.db2.gz ZACOTRZEOJFSOQ-UHFFFAOYSA-N 1 0 381.325 2.725 20 0 GFADRO CC(=O)N1CCC([NH2+]Cc2nc(-c3ccc(Br)cc3)c[nH]2)CC1 ZINC000525682378 564704819 /nfs/dbraw/zinc/70/48/19/564704819.db2.gz DKMJXPGZDYARLQ-UHFFFAOYSA-N 1 0 377.286 2.940 20 0 GFADRO CNC(=O)c1ccc(C[N@H+](CCO)Cc2cccc(Br)c2)cc1 ZINC000488160443 564705680 /nfs/dbraw/zinc/70/56/80/564705680.db2.gz JERQKJBIICYNOR-UHFFFAOYSA-N 1 0 377.282 2.803 20 0 GFADRO Cc1cccc(OC[C@@H](O)C[N@H+](CCO)Cc2cccc(Br)c2)c1 ZINC000488229342 564707556 /nfs/dbraw/zinc/70/75/56/564707556.db2.gz HQAHIVRRVUVAJN-SFHVURJKSA-N 1 0 394.309 2.992 20 0 GFADRO Cc1cccc(I)c1C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000576219739 564708129 /nfs/dbraw/zinc/70/81/29/564708129.db2.gz IMKHILVSOSSCCT-OBJOEFQTSA-N 1 0 384.261 2.799 20 0 GFADRO C[C@H]1C[N@H+](C)CCN1c1ccc(Br)cc1NC(=O)[C@H]1CCC(=O)C1 ZINC000576230047 564709078 /nfs/dbraw/zinc/70/90/78/564709078.db2.gz NDVLPJWIYHMEGF-STQMWFEESA-N 1 0 394.313 2.897 20 0 GFADRO CCSCC[C@H](C)NC(=O)C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000576236547 564709486 /nfs/dbraw/zinc/70/94/86/564709486.db2.gz RJUBEWDAKWCQHR-LSDHHAIUSA-N 1 0 383.583 2.649 20 0 GFADRO CCn1c(CNC(=O)NC(C)(C)C[NH+](C)C)nc2cc(Br)ccc21 ZINC000458693794 564712512 /nfs/dbraw/zinc/71/25/12/564712512.db2.gz HXHHASAFWIUIAQ-UHFFFAOYSA-N 1 0 396.333 2.958 20 0 GFADRO CC[NH+](CC)CC[C@@H](CO)NC(=O)c1cc(Br)c(F)cc1F ZINC000576359191 564712646 /nfs/dbraw/zinc/71/26/46/564712646.db2.gz HBYVEXHYHBVUOE-JTQLQIEISA-N 1 0 379.245 2.550 20 0 GFADRO COc1cc(Br)ccc1CNC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000488499519 564712722 /nfs/dbraw/zinc/71/27/22/564712722.db2.gz DOFWBVWCQKPNNB-HUUCEWRRSA-N 1 0 382.302 2.884 20 0 GFADRO C[C@H](Cn1cc(Br)cn1)[NH2+][C@H]1CCCN(C2CCCCC2)C1=O ZINC000525954685 564713668 /nfs/dbraw/zinc/71/36/68/564713668.db2.gz RQXBTSHEITUSQZ-CJNGLKHVSA-N 1 0 383.334 2.947 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(C(=O)N[C@H]3CSc4ccc(Br)cc43)C[C@@H]21 ZINC000458720178 564715066 /nfs/dbraw/zinc/71/50/66/564715066.db2.gz MLAIRTZMLLUUIN-SWHYSGLUSA-N 1 0 382.327 2.941 20 0 GFADRO CC[N@@H+]1CCN(C(=O)C2CCN(C(=O)c3ccc(Cl)s3)CC2)[C@@H](C)C1 ZINC000553317743 564715319 /nfs/dbraw/zinc/71/53/19/564715319.db2.gz JMEYDAHXBCHGES-ZDUSSCGKSA-N 1 0 383.945 2.806 20 0 GFADRO COc1nc(C)c(Br)cc1C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000576759514 564717959 /nfs/dbraw/zinc/71/79/59/564717959.db2.gz XCPZLSNREABFII-UHFFFAOYSA-N 1 0 382.302 2.765 20 0 GFADRO [NH3+]CC1(CC(=O)NC2CCN(Cc3ccc(Br)cc3)CC2)CC1 ZINC000576753171 564718451 /nfs/dbraw/zinc/71/84/51/564718451.db2.gz QAPNEPYHRGDNPL-UHFFFAOYSA-N 1 0 380.330 2.659 20 0 GFADRO C[C@@H](NC(=O)Nc1cccc2c1CC[NH2+]C2)c1ncc(Br)cn1 ZINC000576805771 564719885 /nfs/dbraw/zinc/71/98/85/564719885.db2.gz ISGSGAIGLLNYFS-SNVBAGLBSA-N 1 0 376.258 2.768 20 0 GFADRO CN1CCN(S(=O)(=O)Cc2ccccc2Br)c2c[nH+]ccc21 ZINC000553430500 564720339 /nfs/dbraw/zinc/72/03/39/564720339.db2.gz AQERWDSPPWVKRQ-UHFFFAOYSA-N 1 0 382.283 2.630 20 0 GFADRO CN(C[C@@H]1CC[N@H+](C)C1)C(=O)NCCC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000458875942 564721266 /nfs/dbraw/zinc/72/12/66/564721266.db2.gz ZCPNWFOUKJMQQH-GFCCVEGCSA-N 1 0 387.311 2.915 20 0 GFADRO CC[N@@H+]1CCC[C@H](CNS(=O)(=O)c2cc(Br)c(F)cc2F)C1 ZINC000488832020 564721585 /nfs/dbraw/zinc/72/15/85/564721585.db2.gz XYUDJQWDRMQBCK-SNVBAGLBSA-N 1 0 397.285 2.738 20 0 GFADRO O=C(NCC[C@H]1CC[NH2+]C1)[C@@H](c1ccc(Br)cc1)N1CCCC1 ZINC000576941687 564721702 /nfs/dbraw/zinc/72/17/02/564721702.db2.gz OFELFFOEYATYPA-RHSMWYFYSA-N 1 0 380.330 2.702 20 0 GFADRO Cc1nc(CNC(=O)NCC[C@@H]2CCC[N@@H+](C)C2)sc1Br ZINC000458923406 564723774 /nfs/dbraw/zinc/72/37/74/564723774.db2.gz IVIOATVQRTVDMD-NSHDSACASA-N 1 0 375.336 2.745 20 0 GFADRO Cc1nc(CNC(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)sc1Br ZINC000458921252 564723799 /nfs/dbraw/zinc/72/37/99/564723799.db2.gz GTZMFIGLUHRQCJ-NWDGAFQWSA-N 1 0 387.347 2.840 20 0 GFADRO O=C(c1cn(C[C@H]2CCC[NH2+]2)nn1)N1CCc2cc(Cl)cc(Cl)c2C1 ZINC000577176381 564728007 /nfs/dbraw/zinc/72/80/07/564728007.db2.gz TXHJXNAGCIRZTF-CYBMUJFWSA-N 1 0 380.279 2.535 20 0 GFADRO C[C@H](CNS(=O)(=O)c1cccc(OC(F)(F)F)c1F)C[NH+]1CCCC1 ZINC000489101622 564728848 /nfs/dbraw/zinc/72/88/48/564728848.db2.gz KRFVSHJWINLXHR-LLVKDONJSA-N 1 0 384.395 2.735 20 0 GFADRO CSc1nnc(CNC(=O)c2ccc(C[NH+]3CCSCC3)cc2)s1 ZINC000527092386 564731136 /nfs/dbraw/zinc/73/11/36/564731136.db2.gz RHWFHRJTJAYZAT-UHFFFAOYSA-N 1 0 380.564 2.739 20 0 GFADRO O=C(C[NH+]1CCCC1)N1CCN(CCOc2cc(Cl)ccc2Cl)CC1 ZINC000489169654 564731337 /nfs/dbraw/zinc/73/13/37/564731337.db2.gz IUEHSQGFIXUZBY-UHFFFAOYSA-N 1 0 386.323 2.612 20 0 GFADRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)Cc1ccccc1I ZINC000553772818 564734949 /nfs/dbraw/zinc/73/49/49/564734949.db2.gz QOKGVZINULJXJD-XJKSGUPXSA-N 1 0 398.288 2.919 20 0 GFADRO CC(C)[C@@H]1CN(C(=O)c2cc(F)ccc2I)CC[N@@H+]1C ZINC000489342027 564736140 /nfs/dbraw/zinc/73/61/40/564736140.db2.gz VGIAUROTWQEHEX-AWEZNQCLSA-N 1 0 390.240 2.843 20 0 GFADRO C[C@H]1CC[N@H+](C)CCN1C(=O)NCc1nc2c(cccc2Br)[nH]1 ZINC000459221990 564736274 /nfs/dbraw/zinc/73/62/74/564736274.db2.gz UUWIWQKSOIEXDW-NSHDSACASA-N 1 0 380.290 2.561 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)NCCOc2ccc(Br)cc2)C1 ZINC000489416892 564738631 /nfs/dbraw/zinc/73/86/31/564738631.db2.gz XDNLYKBREVMRKU-HUUCEWRRSA-N 1 0 384.318 3.000 20 0 GFADRO C[C@@H](CNC(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1)Oc1cccc(Br)c1 ZINC000489393894 564738963 /nfs/dbraw/zinc/73/89/63/564738963.db2.gz DPIFMGQKLKNYSI-KBXCAEBGSA-N 1 0 396.329 2.954 20 0 GFADRO C[NH+](C)CC1(CNS(=O)(=O)Cc2cccc(Br)c2)CCCC1 ZINC000553853433 564740626 /nfs/dbraw/zinc/74/06/26/564740626.db2.gz URPFEUCBIZDNAO-UHFFFAOYSA-N 1 0 389.359 2.991 20 0 GFADRO CC(C)(C)[C@@H](CO)[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000578140858 564741069 /nfs/dbraw/zinc/74/10/69/564741069.db2.gz BAZYMEIMRRVEMH-BXUZGUMPSA-N 1 0 380.710 2.839 20 0 GFADRO CCn1cc(C[N@H+](C)C[C@H](O)COc2cc(F)cc(Br)c2)cn1 ZINC000527377631 564741871 /nfs/dbraw/zinc/74/18/71/564741871.db2.gz LMQPRYZUHNAVPT-HNNXBMFYSA-N 1 0 386.265 2.676 20 0 GFADRO C[N@H+](CCn1cc(Cl)cn1)C[C@H](O)COc1ccccc1C(F)(F)F ZINC000459380808 564742763 /nfs/dbraw/zinc/74/27/63/564742763.db2.gz TZVSOBBOTYGHFK-ZDUSSCGKSA-N 1 0 377.794 2.927 20 0 GFADRO CCOC(=O)c1cc(Cl)cc(S(=O)(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)c1 ZINC000489544657 564742897 /nfs/dbraw/zinc/74/28/97/564742897.db2.gz CWBAPCNJMYVQBP-GJZGRUSLSA-N 1 0 388.917 2.668 20 0 GFADRO CS(=O)(=O)c1ccc(C[NH2+]CCN2CCc3c(Cl)cccc3C2)cc1 ZINC000527488026 564743994 /nfs/dbraw/zinc/74/39/94/564743994.db2.gz QUOBKPPNFVXXEI-UHFFFAOYSA-N 1 0 378.925 2.891 20 0 GFADRO NC(=O)c1ncn([C@@H]2CCCN(Cc3cc(Cl)cc(Br)c3)C2)n1 ZINC000459437366 564744470 /nfs/dbraw/zinc/74/44/70/564744470.db2.gz YPQOLGVPOLPHSE-CYBMUJFWSA-N 1 0 398.692 2.630 20 0 GFADRO NC(=O)Cn1cc(C[NH2+]CC2(c3ccc(Cl)cc3Cl)CCCC2)nn1 ZINC000459443835 564745062 /nfs/dbraw/zinc/74/50/62/564745062.db2.gz BRKDUCAFVRJXDU-UHFFFAOYSA-N 1 0 382.295 2.672 20 0 GFADRO CCO[C@@H]1C[C@H]([NH2+]C[C@@H](O)COc2ccccc2Br)[C@@H]1SC ZINC000459429710 564745192 /nfs/dbraw/zinc/74/51/92/564745192.db2.gz HWHIVNSZZXWALB-JMGFVUJMSA-N 1 0 390.343 2.687 20 0 GFADRO CCOc1cc(C[NH2+][C@H](CCO)C2CCOCC2)cc(Br)c1O ZINC000459481660 564747234 /nfs/dbraw/zinc/74/72/34/564747234.db2.gz PPDRRGDHNYKORI-OAHLLOKOSA-N 1 0 388.302 2.821 20 0 GFADRO COCCN(Cc1sccc1Br)C(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000579471098 564748252 /nfs/dbraw/zinc/74/82/52/564748252.db2.gz GMFQMUJFIZIWMN-RYUDHWBXSA-N 1 0 375.332 2.874 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)CCOc2cccc(Cl)c2Cl)CC12CCOCC2 ZINC000579475437 564748550 /nfs/dbraw/zinc/74/85/50/564748550.db2.gz UWTXDNWFTKZRDE-ZDUSSCGKSA-N 1 0 387.307 2.976 20 0 GFADRO Cn1cc(CN2C[C@@H](F)C[C@H]2C[NH2+]Cc2cccc(O)c2Br)cn1 ZINC000459509156 564748684 /nfs/dbraw/zinc/74/86/84/564748684.db2.gz KULQHXPMHUCSSE-GJZGRUSLSA-N 1 0 397.292 2.590 20 0 GFADRO O=C([C@@H]1CCc2cncn2C1)N1CCc2ccc(F)c(Br)c2C1 ZINC000527628648 564752023 /nfs/dbraw/zinc/75/20/23/564752023.db2.gz RHVXRIGPRMLTBB-GFCCVEGCSA-N 1 0 378.245 2.932 20 0 GFADRO C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)C[C@H](O)Cc1cccc(Cl)c1 ZINC000554222535 564753857 /nfs/dbraw/zinc/75/38/57/564753857.db2.gz NJMMBWGKMWLQNE-CXAGYDPISA-N 1 0 382.913 2.584 20 0 GFADRO C[NH+]1CCN(c2ccc(NCc3ncc(Br)cc3F)cn2)CC1 ZINC000527675584 564754454 /nfs/dbraw/zinc/75/44/54/564754454.db2.gz OCPWVUGVUSKXBF-UHFFFAOYSA-N 1 0 380.265 2.742 20 0 GFADRO CCOC(=O)c1sc(NC(=O)C2CC[NH+]([C@H]3CCSC3)CC2)nc1C ZINC000580293050 564755032 /nfs/dbraw/zinc/75/50/32/564755032.db2.gz NUNTUVRIBUHHKW-ZDUSSCGKSA-N 1 0 383.539 2.784 20 0 GFADRO NC(=O)[C@@H](C[NH2+]Cc1ncc(Br)cc1F)Cc1ccc(F)cc1 ZINC000527685393 564755492 /nfs/dbraw/zinc/75/54/92/564755492.db2.gz MWGTVLUWCIHUIQ-LLVKDONJSA-N 1 0 384.224 2.556 20 0 GFADRO CC(=O)NCc1ccc(-c2nc(NC(=O)[C@]3(C)CC[NH2+]C3)sc2C)s1 ZINC000580304129 564755522 /nfs/dbraw/zinc/75/55/22/564755522.db2.gz ZVVVFXLNJHEXSX-QGZVFWFLSA-N 1 0 378.523 2.754 20 0 GFADRO Cc1csc(C(=O)NC[C@H]2CCC[C@H]([NH3+])C2)c1I ZINC000580304585 564755652 /nfs/dbraw/zinc/75/56/52/564755652.db2.gz LRWSJWJLPCVCSV-UWVGGRQHSA-N 1 0 378.279 2.908 20 0 GFADRO Fc1cc(Br)cc(C[NH2+]CC2(N3CCOCC3)CCOCC2)c1 ZINC000459662696 564755961 /nfs/dbraw/zinc/75/59/61/564755961.db2.gz VBHPHVFHBNIKQJ-UHFFFAOYSA-N 1 0 387.293 2.559 20 0 GFADRO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[NH2+]C1(CO)CCSCC1 ZINC000459710737 564757931 /nfs/dbraw/zinc/75/79/31/564757931.db2.gz LINMDRWQZGMYDS-UHFFFAOYSA-N 1 0 377.337 2.800 20 0 GFADRO CC(C)NS(=O)(=O)c1cccc(C[NH2+][C@H]2CCO[C@@H](C(F)(F)F)C2)c1 ZINC000554348722 564757956 /nfs/dbraw/zinc/75/79/56/564757956.db2.gz FBTLXBQPGDHLIY-DZGCQCFKSA-N 1 0 380.432 2.573 20 0 GFADRO COc1ccc(Br)c(CNC(=O)[C@H]2Cc3ccccc3C[NH2+]2)c1 ZINC000489975794 564758457 /nfs/dbraw/zinc/75/84/57/564758457.db2.gz CBUZEOARQGWCBC-QGZVFWFLSA-N 1 0 375.266 2.788 20 0 GFADRO CC(C)c1nn(-c2ccc(Br)cc2)cc1C[N@H+]1C[C@H](CO)[C@H](O)C1 ZINC000459715649 564758825 /nfs/dbraw/zinc/75/88/25/564758825.db2.gz VBHIZCXYPKIXQB-RHSMWYFYSA-N 1 0 394.313 2.543 20 0 GFADRO OC[C@]1(O)CCC[N@H+](Cc2cnc(-c3ccc(Br)cc3)s2)C1 ZINC000459721585 564759118 /nfs/dbraw/zinc/75/91/18/564759118.db2.gz OSURZYVSVWBOBV-INIZCTEOSA-N 1 0 383.311 2.892 20 0 GFADRO O=S(=O)(c1cc(Br)ccc1Cl)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000490002933 564759604 /nfs/dbraw/zinc/75/96/04/564759604.db2.gz GUBABRDRWVPZNE-CQSZACIVSA-N 1 0 393.734 2.867 20 0 GFADRO COc1cc(Br)ccc1C[NH2+][C@@]1(CO)COc2ccccc2C1 ZINC000527768839 564760433 /nfs/dbraw/zinc/76/04/33/564760433.db2.gz FKTRNEZRFYPIHB-SFHVURJKSA-N 1 0 378.266 2.914 20 0 GFADRO CC[C@H](NC(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1)c1ccc(Cl)s1 ZINC000554437032 564761440 /nfs/dbraw/zinc/76/14/40/564761440.db2.gz CZVSYOVFMHUBBO-RDBSUJKOSA-N 1 0 383.945 2.912 20 0 GFADRO CC(C)(C[NH2+]Cc1cc2c(cc1Br)OCO2)C(=O)N1CCCC1 ZINC000527808097 564761684 /nfs/dbraw/zinc/76/16/84/564761684.db2.gz GHEBJCWMILDEPX-UHFFFAOYSA-N 1 0 383.286 2.916 20 0 GFADRO CC[C@H](Cc1ccccc1Br)[NH2+]C[C@H](O)CN1C[C@@H](C)O[C@@H](C)C1 ZINC000580543678 564763323 /nfs/dbraw/zinc/76/33/23/564763323.db2.gz NOXAYLWJBVWCKV-ATLSCFEFSA-N 1 0 399.373 2.830 20 0 GFADRO C[C@H]([NH2+]CCCn1cc(CO)nn1)c1cc(F)c(Br)cc1F ZINC000527895844 564764487 /nfs/dbraw/zinc/76/44/87/564764487.db2.gz AJFDXHZLQDSJDE-VIFPVBQESA-N 1 0 375.217 2.552 20 0 GFADRO C[NH+](C)[C@H]1CCOc2c(NC(=O)Cn3cc(Br)cn3)cccc21 ZINC000580610229 564767008 /nfs/dbraw/zinc/76/70/08/564767008.db2.gz SWDHEVHOAMQQJM-AWEZNQCLSA-N 1 0 379.258 2.670 20 0 GFADRO O=C(NC1CC[NH+](Cc2ccncc2)CC1)c1cc(O)cc(Br)c1 ZINC000528050763 564768062 /nfs/dbraw/zinc/76/80/62/564768062.db2.gz UOPLCVKNCKWPNH-UHFFFAOYSA-N 1 0 390.281 2.944 20 0 GFADRO Oc1cc(C[NH2+]C[C@]2(N3CCOCC3)CCSC2)cc(C(F)(F)F)c1 ZINC000580679617 564769371 /nfs/dbraw/zinc/76/93/71/564769371.db2.gz GQHJYLPWVSZAIR-MRXNPFEDSA-N 1 0 376.444 2.709 20 0 GFADRO CS[C@H]1CN(C(=O)COc2ccccc2Br)C[C@H]1[NH+]1CCCC1 ZINC000460112963 564769593 /nfs/dbraw/zinc/76/95/93/564769593.db2.gz RNJZIOQPFVVBKT-ZBFHGGJFSA-N 1 0 399.354 2.866 20 0 GFADRO CCOC(=O)CC[C@@H](O)C[NH2+][C@@H](C)Cc1ccc(F)c(Br)c1 ZINC000580710016 564770200 /nfs/dbraw/zinc/77/02/00/564770200.db2.gz RUTCVRFBGMBCDC-WCQYABFASA-N 1 0 376.266 2.813 20 0 GFADRO CNC(=O)[C@H](CCSC)[NH2+]CC1=Cc2cc(Br)ccc2OC1 ZINC000580737491 564771859 /nfs/dbraw/zinc/77/18/59/564771859.db2.gz XPTSEZIMBDUFLI-AWEZNQCLSA-N 1 0 385.327 2.682 20 0 GFADRO CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]CC(=O)N(C)Cc3ccc(Cl)s3)[C@H]2C1 ZINC000554746163 564772901 /nfs/dbraw/zinc/77/29/01/564772901.db2.gz SGHQMYGKNAAGQN-CWRNSKLLSA-N 1 0 383.945 2.597 20 0 GFADRO COCC[NH+]1CCC(NC(=O)c2ccc(Br)c(F)c2F)CC1 ZINC000528205719 564773498 /nfs/dbraw/zinc/77/34/98/564773498.db2.gz OETXZJLOIMTABE-UHFFFAOYSA-N 1 0 377.229 2.568 20 0 GFADRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)NCc1cc(F)c(Br)cc1F ZINC000528249984 564774449 /nfs/dbraw/zinc/77/44/49/564774449.db2.gz FBPOKWBIOLQCNN-NSHDSACASA-N 1 0 376.245 2.963 20 0 GFADRO CCOC(=O)COCC[NH2+]C1(c2ccc(Br)cc2)CCOCC1 ZINC000554934588 564778106 /nfs/dbraw/zinc/77/81/06/564778106.db2.gz VHXVALLIIVKQSS-UHFFFAOYSA-N 1 0 386.286 2.624 20 0 GFADRO CSC1(CNS(=O)(=O)c2ccc(C(=O)C(C)C)cc2)CC[NH+](C)CC1 ZINC000580920252 564779727 /nfs/dbraw/zinc/77/97/27/564779727.db2.gz BPCPCKZVUBMPHZ-UHFFFAOYSA-N 1 0 384.567 2.631 20 0 GFADRO C[C@@H]1c2cc(Cl)cc(Cl)c2CCN1C(=O)C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000581005971 564783970 /nfs/dbraw/zinc/78/39/70/564783970.db2.gz KUDQYZCUDDTJNP-NEPJUHHUSA-N 1 0 384.307 2.636 20 0 GFADRO CSC1(CNC(=O)N[C@H](C)[C@@H]2OCCc3sccc32)CC[NH+](C)CC1 ZINC000491078565 564786499 /nfs/dbraw/zinc/78/64/99/564786499.db2.gz PEWRIRKERJMDII-CJNGLKHVSA-N 1 0 383.583 2.877 20 0 GFADRO O=S(=O)(NC[C@@H]1CC[N@@H+]1C1CCCCC1)c1ccc(C(F)(F)F)nc1 ZINC000528480074 564788112 /nfs/dbraw/zinc/78/81/12/564788112.db2.gz XMADOGSJLBCPKC-ZDUSSCGKSA-N 1 0 377.432 2.786 20 0 GFADRO CN1CCN(S(=O)(=O)CCc2ccccc2Br)c2c[nH+]ccc21 ZINC000461117967 564790652 /nfs/dbraw/zinc/79/06/52/564790652.db2.gz CMPRUQJWNXPFRN-UHFFFAOYSA-N 1 0 396.310 2.673 20 0 GFADRO C[C@@H](NC[C@@H]1CCC[N@H+](C)C1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000555369036 564790961 /nfs/dbraw/zinc/79/09/61/564790961.db2.gz XNKZCWFBPMDKEY-MNOVXSKESA-N 1 0 380.341 2.633 20 0 GFADRO C[N@@H+]1CCCN(C(=O)C(=O)Nc2ccc(-c3ccc(Cl)s3)nc2)CC1 ZINC000581203675 564792505 /nfs/dbraw/zinc/79/25/05/564792505.db2.gz CAQSSGJVDNBUQU-UHFFFAOYSA-N 1 0 378.885 2.566 20 0 GFADRO COc1cc(Cl)c(S(=O)(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)cc1OC ZINC000528548773 564793395 /nfs/dbraw/zinc/79/33/95/564793395.db2.gz JPOCMCVGMZREPS-CYBMUJFWSA-N 1 0 388.917 2.652 20 0 GFADRO CO[C@@H](C[NH3+])C(=O)N[C@](C)(Cc1cccc(Br)c1)c1ccccc1 ZINC000581245300 564794252 /nfs/dbraw/zinc/79/42/52/564794252.db2.gz HQKCMMPCYLURNM-PKOBYXMFSA-N 1 0 391.309 2.997 20 0 GFADRO CC(C)[NH2+]CC(=O)N1CCC(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000581261887 564794857 /nfs/dbraw/zinc/79/48/57/564794857.db2.gz OWIGUJWVJLNIGY-UHFFFAOYSA-N 1 0 382.302 2.624 20 0 GFADRO O=S(=O)(NCC[NH2+][C@H]1CCc2ccccc2OC1)c1cccc(Cl)c1 ZINC000492192845 564799358 /nfs/dbraw/zinc/79/93/58/564799358.db2.gz KHYIGYBAKYGISO-INIZCTEOSA-N 1 0 380.897 2.602 20 0 GFADRO Cc1ccc(Cc2cnc(NC(=O)NC[C@@H]3COCC[NH2+]3)s2)cc1Cl ZINC000528667330 564799585 /nfs/dbraw/zinc/79/95/85/564799585.db2.gz NDMGZUXOINEMHA-CYBMUJFWSA-N 1 0 380.901 2.806 20 0 GFADRO CN1CC[NH2+]C[C@H]1CNC(=O)Nc1cccc2cccc(Br)c21 ZINC000528701664 564801895 /nfs/dbraw/zinc/80/18/95/564801895.db2.gz FKPWMOYETRHYGZ-ZDUSSCGKSA-N 1 0 377.286 2.627 20 0 GFADRO CNC(=O)c1ccc(C[NH2+][C@@H](CO)c2ccc(Br)c(F)c2)cc1 ZINC000492310579 564801953 /nfs/dbraw/zinc/80/19/53/564801953.db2.gz HLSUWUOZPXXUPK-INIZCTEOSA-N 1 0 381.245 2.771 20 0 GFADRO C[C@H](NC(=O)C(=O)N1CC[N@H+](C)CC[C@H]1C)c1cc(F)c(Cl)cc1Cl ZINC000555695576 564802539 /nfs/dbraw/zinc/80/25/39/564802539.db2.gz GQDPHAIZZKNYHY-MNOVXSKESA-N 1 0 390.286 2.862 20 0 GFADRO O=C(c1ccc2c[nH+]cn2c1)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000555785786 564804354 /nfs/dbraw/zinc/80/43/54/564804354.db2.gz VAYWNDFJKWHPAF-UHFFFAOYSA-N 1 0 376.247 2.999 20 0 GFADRO Cc1ccc(F)c(C(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)c1Br ZINC000492817958 564804733 /nfs/dbraw/zinc/80/47/33/564804733.db2.gz MPGHVENPVKGQEV-CYBMUJFWSA-N 1 0 387.293 2.983 20 0 GFADRO COC(=O)[C@H](c1cc(Cl)cc(Cl)c1)N(C)CCC[NH+]1CCN(C)CC1 ZINC000492935634 564805898 /nfs/dbraw/zinc/80/58/98/564805898.db2.gz GZUWWICDDFVFJM-KRWDZBQOSA-N 1 0 388.339 2.777 20 0 GFADRO C[NH+](C)C1CCN(c2ccc(NC(=O)[C@H]3C[C@]3(C)Br)nc2)CC1 ZINC000528837681 564806934 /nfs/dbraw/zinc/80/69/34/564806934.db2.gz AUGMVVHRSKEIJK-PBHICJAKSA-N 1 0 381.318 2.724 20 0 GFADRO O=C(Nc1ccc2nccnc2c1Br)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000581536676 564807113 /nfs/dbraw/zinc/80/71/13/564807113.db2.gz RWMGWFCMEMBCLD-SMDDNHRTSA-N 1 0 390.285 2.902 20 0 GFADRO CC[NH+](CC)CC[C@@H](CO)Nc1ccc(Br)c(C(F)(F)F)n1 ZINC000555898910 564807938 /nfs/dbraw/zinc/80/79/38/564807938.db2.gz ZEUHKTQGNCUTKM-JTQLQIEISA-N 1 0 384.240 3.368 20 0 GFADRO COC(=O)c1cc(Br)cc(C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000461964678 564810236 /nfs/dbraw/zinc/81/02/36/564810236.db2.gz KRICLIAJDZINSV-LSDHHAIUSA-N 1 0 381.270 2.592 20 0 GFADRO O[C@@H](C[NH2+]Cc1cn2ccc(Br)cc2n1)COc1ccccc1 ZINC000581636728 564810789 /nfs/dbraw/zinc/81/07/89/564810789.db2.gz NDZLLWJQEXQTOM-HNNXBMFYSA-N 1 0 376.254 2.626 20 0 GFADRO COC(=O)c1cc(Br)cc(C(=O)N2CCC([NH+]3CCCC3)CC2)c1 ZINC000462038619 564812463 /nfs/dbraw/zinc/81/24/63/564812463.db2.gz MLKRNPCGWKFLDT-UHFFFAOYSA-N 1 0 395.297 2.936 20 0 GFADRO C[C@H](C(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1)c1cccc(Br)c1 ZINC000462061843 564814501 /nfs/dbraw/zinc/81/45/01/564814501.db2.gz XDZNJACQJFWCNG-WMLDXEAASA-N 1 0 383.330 2.762 20 0 GFADRO [NH3+][C@@H]1CCC[C@H](CNC(=O)Cc2csc(NC(=O)c3cccs3)n2)C1 ZINC000581823645 564818536 /nfs/dbraw/zinc/81/85/36/564818536.db2.gz UAOBAWBGRIYHIR-NWDGAFQWSA-N 1 0 378.523 2.633 20 0 GFADRO C[N@H+](CCN1C(=O)NC2(CCCC2)C1=O)Cc1ccc(Br)c(F)c1 ZINC000494244689 564819954 /nfs/dbraw/zinc/81/99/54/564819954.db2.gz KZGWCBJOZXGQRW-UHFFFAOYSA-N 1 0 398.276 2.885 20 0 GFADRO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)C[NH2+][C@@]1(C)CCO[C@@H]1C ZINC000494256776 564820781 /nfs/dbraw/zinc/82/07/81/564820781.db2.gz LSXCOTIPJJCNBJ-ABKXIKBNSA-N 1 0 375.252 2.876 20 0 GFADRO C[C@@H](CC(=O)N1CCO[C@@H](C[NH+](C)C)C1)c1ccc(F)c(Br)c1 ZINC000462116145 564821261 /nfs/dbraw/zinc/82/12/61/564821261.db2.gz GJDWHVNUNKQGDM-JSGCOSHPSA-N 1 0 387.293 2.871 20 0 GFADRO C[C@H](CC(=O)N1CCO[C@@H](C[NH+](C)C)C1)c1ccc(F)c(Br)c1 ZINC000462116146 564821379 /nfs/dbraw/zinc/82/13/79/564821379.db2.gz GJDWHVNUNKQGDM-OCCSQVGLSA-N 1 0 387.293 2.871 20 0 GFADRO OCC[N@@H+](Cc1cccc(F)c1)C[C@@H](O)COc1ccc(Br)cc1 ZINC000494254743 564821362 /nfs/dbraw/zinc/82/13/62/564821362.db2.gz UQHLQCCJYRGGHL-QGZVFWFLSA-N 1 0 398.272 2.822 20 0 GFADRO COC[C@@H](C)OC[C@@H](O)C[NH2+]CC1(c2ccc(Br)cc2)CCC1 ZINC000581938832 564823601 /nfs/dbraw/zinc/82/36/01/564823601.db2.gz WRLKHSIAAGSTIT-PBHICJAKSA-N 1 0 386.330 2.873 20 0 GFADRO O[C@H](C[NH2+]CCc1c[nH]c2cccc(Br)c12)COC1CCOCC1 ZINC000581939699 564823773 /nfs/dbraw/zinc/82/37/73/564823773.db2.gz VMQLARKZSWJSST-CQSZACIVSA-N 1 0 397.313 2.619 20 0 GFADRO O=C(CC[NH2+]C[C@@H](CO)Cc1ccco1)Nc1ccc(Br)cc1 ZINC000581943695 564823988 /nfs/dbraw/zinc/82/39/88/564823988.db2.gz SFUZPYYEKAAIPX-ZDUSSCGKSA-N 1 0 381.270 2.812 20 0 GFADRO C[C@H]1C[N@H+](CCCNC(=O)c2ccc(Br)c(F)c2F)CCCO1 ZINC000529174986 564824264 /nfs/dbraw/zinc/82/42/64/564824264.db2.gz VNZWAWKLUBOWLQ-NSHDSACASA-N 1 0 391.256 2.958 20 0 GFADRO CC[NH+](CC)C[C@H](C)NC(=O)Nc1cccc(C(=O)NC)c1Br ZINC000494362684 564826716 /nfs/dbraw/zinc/82/67/16/564826716.db2.gz BYDXFXBMQWJKCB-NSHDSACASA-N 1 0 385.306 2.661 20 0 GFADRO Cc1nc(C(F)(F)F)sc1C(=O)N1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000462246161 564828102 /nfs/dbraw/zinc/82/81/02/564828102.db2.gz MGRGVEGELVXPTQ-GRYCIOLGSA-N 1 0 377.432 2.794 20 0 GFADRO CC[NH+](CC)[C@@H](C)CNC(=O)NCc1cc(Br)cc2c1OCC2 ZINC000462227410 564828188 /nfs/dbraw/zinc/82/81/88/564828188.db2.gz SJJCEMUEDRWATL-LBPRGKRZSA-N 1 0 384.318 2.914 20 0 GFADRO C[C@@H]1C[C@@H]1[N@@H+]1CCN(C(=O)C(=O)Nc2cccc(Br)c2)C[C@@H](C)C1 ZINC000556483951 564828324 /nfs/dbraw/zinc/82/83/24/564828324.db2.gz YZURGMWGXRIDMG-ZENOOKHLSA-N 1 0 394.313 2.576 20 0 GFADRO CCCC[N@@H+]1CCCC[C@@H]1CNS(=O)(=O)c1ccc(Br)cn1 ZINC000462270373 564830414 /nfs/dbraw/zinc/83/04/14/564830414.db2.gz QBAHJHBBYJYZIV-CQSZACIVSA-N 1 0 390.347 2.777 20 0 GFADRO COc1ccc(Br)c(CN(C)C(=O)N[C@H]2CC[NH2+]C23CCC3)c1 ZINC000529350308 564830505 /nfs/dbraw/zinc/83/05/05/564830505.db2.gz COJWTYMTOUEKJZ-HNNXBMFYSA-N 1 0 382.302 2.884 20 0 GFADRO O[C@H](COc1ccc(Cl)cc1Br)C[N@@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000582120232 564831582 /nfs/dbraw/zinc/83/15/82/564831582.db2.gz KYXCTUGGEOGVKH-ZLDLUXBVSA-N 1 0 390.705 2.953 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)NCc3ccc(Br)c(F)c3F)C[C@@H]21 ZINC000529369056 564831921 /nfs/dbraw/zinc/83/19/21/564831921.db2.gz GEQJRNMCJDVKQZ-NTZNESFSSA-N 1 0 388.256 2.996 20 0 GFADRO COC(=O)c1cc(NC(=O)N2CC[C@]3(C2)CCC[NH2+]C3)ccc1Br ZINC000582169484 564834070 /nfs/dbraw/zinc/83/40/70/564834070.db2.gz SMONBDVQOKROOO-QGZVFWFLSA-N 1 0 396.285 2.843 20 0 GFADRO CN(C(=O)C[C@@H]1CSCC[NH2+]1)[C@H]1CCOc2ccc(Br)cc21 ZINC000582176534 564834390 /nfs/dbraw/zinc/83/43/90/564834390.db2.gz YWRUEPVPVRLIDH-OCCSQVGLSA-N 1 0 385.327 2.826 20 0 GFADRO CN(C(=O)C[C@@H]1CSCC[NH2+]1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000582176535 564834427 /nfs/dbraw/zinc/83/44/27/564834427.db2.gz YWRUEPVPVRLIDH-TZMCWYRMSA-N 1 0 385.327 2.826 20 0 GFADRO CCOC(=O)Cc1csc(NC(=O)C[NH2+][C@@H](c2cccs2)C2CC2)n1 ZINC000462336977 564834507 /nfs/dbraw/zinc/83/45/07/564834507.db2.gz WOOPSNLYZJRBHS-MRXNPFEDSA-N 1 0 379.507 2.990 20 0 GFADRO Ic1ccc2ncnc(N[C@H]3CC[N@@H+](C4CC4)C3)c2c1 ZINC000462376461 564836333 /nfs/dbraw/zinc/83/63/33/564836333.db2.gz JTNWIELDXYIOSN-NSHDSACASA-N 1 0 380.233 2.883 20 0 GFADRO CC[NH+]1CCN(CC(C)(C)NC(=O)Cc2cccc(C)c2Br)CC1 ZINC000529467487 564836642 /nfs/dbraw/zinc/83/66/42/564836642.db2.gz FHRKWLKENSWNTG-UHFFFAOYSA-N 1 0 396.373 2.832 20 0 GFADRO CCC[C@H](OCC)C(=O)Nc1cc(N2CCOCC2)c(Br)cn1 ZINC000529474052 564836934 /nfs/dbraw/zinc/83/69/34/564836934.db2.gz UAULCXAFYMAPSD-AWEZNQCLSA-N 1 0 386.290 2.824 20 0 GFADRO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1CC/C=C/c1ccc(Br)cc1 ZINC000494701662 564837242 /nfs/dbraw/zinc/83/72/42/564837242.db2.gz GIVVXBQKXPKIJE-AUYOJAJCSA-N 1 0 387.343 2.866 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H](CNS(=O)(=O)c2cc(Br)sc2Cl)C1 ZINC000582300853 564839531 /nfs/dbraw/zinc/83/95/31/564839531.db2.gz GQDFCLNTTQARBJ-HTQZYQBOSA-N 1 0 387.752 2.960 20 0 GFADRO C[C@H]1CCC[N@H+](CCNS(=O)(=O)c2ccc(Br)c(F)c2)C1 ZINC000462443309 564839994 /nfs/dbraw/zinc/83/99/94/564839994.db2.gz XMCHMUBPHUNJFE-NSHDSACASA-N 1 0 379.295 2.598 20 0 GFADRO Fc1cc(Br)cnc1CN1CCC(CC[NH+]2CCOCC2)CC1 ZINC000529530300 564840845 /nfs/dbraw/zinc/84/08/45/564840845.db2.gz QSPCSSGJKSAIQM-UHFFFAOYSA-N 1 0 386.309 2.918 20 0 GFADRO CCC[N@H+](C)C[C@H]1CCN(C(=O)N[C@@H](C)c2ncc(Br)cn2)C1 ZINC000582338111 564841411 /nfs/dbraw/zinc/84/14/11/564841411.db2.gz JOIOBOADMDBHNC-QWHCGFSZSA-N 1 0 384.322 2.673 20 0 GFADRO OC[C@H]([NH2+]Cc1ccnc(-c2ccc(Br)cc2)n1)[C@@H]1CCCOC1 ZINC000556816654 564841893 /nfs/dbraw/zinc/84/18/93/564841893.db2.gz SMEBRMQYVKOBHO-PBHICJAKSA-N 1 0 392.297 2.783 20 0 GFADRO NC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@@H+]1Cc1c[nH]nc1-c1ccc(Br)s1 ZINC000529555967 564842146 /nfs/dbraw/zinc/84/21/46/564842146.db2.gz MPSPJMGDPLGELC-VPJDZLOFSA-N 1 0 395.326 2.987 20 0 GFADRO C[C@@H](Cc1ccncc1)[NH2+]CCS(=O)(=O)c1cccc(Br)c1 ZINC000582355629 564842455 /nfs/dbraw/zinc/84/24/55/564842455.db2.gz SKZCNHOCPQUSMP-ZDUSSCGKSA-N 1 0 383.311 2.839 20 0 GFADRO O=S(=O)(c1cccc(Cl)c1Br)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000582360640 564842804 /nfs/dbraw/zinc/84/28/04/564842804.db2.gz XRVUASUOLZEBFP-CQSZACIVSA-N 1 0 393.734 2.867 20 0 GFADRO COCCC[N@H+](CCn1ccc2cc(Cl)ccc21)[C@@H]1CCS(=O)(=O)C1 ZINC000582388785 564843388 /nfs/dbraw/zinc/84/33/88/564843388.db2.gz CALKJSRHKROTAG-QGZVFWFLSA-N 1 0 384.929 2.820 20 0 GFADRO CCOC(=O)c1cc2cc(S(=O)(=O)N3CC[C@H]([NH3+])C[C@@H]3C)ccc2s1 ZINC000582367789 564843418 /nfs/dbraw/zinc/84/34/18/564843418.db2.gz DSBKIFCHWLDVSB-AAEUAGOBSA-N 1 0 382.507 2.578 20 0 GFADRO CC1CC[NH+](CCCCNS(=O)(=O)c2ccc(Br)cn2)CC1 ZINC000462539506 564846405 /nfs/dbraw/zinc/84/64/05/564846405.db2.gz SJORWFAWTBLUAO-UHFFFAOYSA-N 1 0 390.347 2.635 20 0 GFADRO COC[C@@H](C)[C@H](C)C(=O)NCCc1cn2cc(Br)cc(C)c2n1 ZINC000462553662 564847003 /nfs/dbraw/zinc/84/70/03/564847003.db2.gz PZWZDVPUIKZEKJ-OLZOCXBDSA-N 1 0 382.302 2.983 20 0 GFADRO Cc1ccsc1S(=O)(=O)NCc1cccc(CN2CCO[C@H](C)C2)c1 ZINC000462553195 564847418 /nfs/dbraw/zinc/84/74/18/564847418.db2.gz SBMRSQZBONQJRT-OAHLLOKOSA-N 1 0 380.535 2.756 20 0 GFADRO O=C([C@H]1CCC[N@@H+]1C1CC1)N1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000495105158 564849197 /nfs/dbraw/zinc/84/91/97/564849197.db2.gz RZHVPNNVOFGEJS-IAGOWNOFSA-N 1 0 379.298 2.976 20 0 GFADRO COc1cc(NC(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)cc(OC)c1Br ZINC000556982178 564849803 /nfs/dbraw/zinc/84/98/03/564849803.db2.gz YXQHLWDVBUBHSQ-CMPLNLGQSA-N 1 0 384.274 2.682 20 0 GFADRO O=C(N[C@@H]1CCN(c2cccc(Br)c2)C1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000495196073 564850951 /nfs/dbraw/zinc/85/09/51/564850951.db2.gz XBFIRDCYRKYXPQ-HUUCEWRRSA-N 1 0 393.329 2.564 20 0 GFADRO Cc1cc(S(=O)(=O)NC[C@@H]2CCC[N@@H+](C)C2)c(F)cc1Br ZINC000557079678 564853636 /nfs/dbraw/zinc/85/36/36/564853636.db2.gz BDJFCBULESDTNZ-NSHDSACASA-N 1 0 379.295 2.517 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)C[N@@H+](C)C1(CCO)CCOCC1 ZINC000495450171 564854676 /nfs/dbraw/zinc/85/46/76/564854676.db2.gz LPKQDCAVUMKUKQ-UHFFFAOYSA-N 1 0 385.302 2.559 20 0 GFADRO CS[C@@H]1CN(C(=O)c2cc(N3CCCC3=O)ccc2Cl)C[C@H]1[NH+](C)C ZINC000495696627 564855554 /nfs/dbraw/zinc/85/55/54/564855554.db2.gz MBFVSTQFDBZHLI-HZPDHXFCSA-N 1 0 381.929 2.584 20 0 GFADRO CS[C@@H]1CN(C(=O)c2cc(F)c(F)cc2Br)C[C@H]1[NH+](C)C ZINC000495683119 564855618 /nfs/dbraw/zinc/85/56/18/564855618.db2.gz WIAZILCYMMHQOF-CHWSQXEVSA-N 1 0 379.270 2.845 20 0 GFADRO CS[C@@H]1CN(C(=O)Cc2c[nH]c3cccc(Br)c23)C[C@H]1[NH+](C)C ZINC000495657775 564855960 /nfs/dbraw/zinc/85/59/60/564855960.db2.gz VFXPAGUINMROSY-HUUCEWRRSA-N 1 0 396.354 2.977 20 0 GFADRO CC1([NH+]2CCOCC2)CCN(C(=O)Cc2ccc(Br)cc2)CC1 ZINC000529913092 564856255 /nfs/dbraw/zinc/85/62/55/564856255.db2.gz YNGPNFGVWIXXET-UHFFFAOYSA-N 1 0 381.314 2.705 20 0 GFADRO CS[C@H]1CN(C(=O)Cc2cc(Br)ccc2F)C[C@@H]1[NH+](C)C ZINC000495725639 564857198 /nfs/dbraw/zinc/85/71/98/564857198.db2.gz BOWMJZOJJONJGP-KBPBESRZSA-N 1 0 375.307 2.635 20 0 GFADRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1Cc1noc(Cc2ccc(Br)cc2)n1 ZINC000557181658 564857606 /nfs/dbraw/zinc/85/76/06/564857606.db2.gz WGRKGQWRYVAZJD-CHWSQXEVSA-N 1 0 379.302 2.947 20 0 GFADRO CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000557186040 564857850 /nfs/dbraw/zinc/85/78/50/564857850.db2.gz HJXYTEYUGCOFAR-QEWYBTABSA-N 1 0 396.329 2.776 20 0 GFADRO O=C(NC[C@H]1C[NH2+]CCCO1)N(Cc1csc(Br)c1)C1CC1 ZINC000557242027 564858434 /nfs/dbraw/zinc/85/84/34/564858434.db2.gz VYMKCOKTFRGZDU-CYBMUJFWSA-N 1 0 388.331 2.563 20 0 GFADRO CC(C)[C@@H](Oc1ccccc1Br)C(=O)N[C@H](CC[NH3+])C(F)F ZINC000582724789 564858659 /nfs/dbraw/zinc/85/86/59/564858659.db2.gz HDFXPCREBLHMPQ-DGCLKSJQSA-N 1 0 379.245 2.951 20 0 GFADRO CN(C[C@H]1CC[N@H+](C)C1)c1ncnc2ccc(I)cc21 ZINC000462829092 564858803 /nfs/dbraw/zinc/85/88/03/564858803.db2.gz WUAZUYAAIBEHQX-NSHDSACASA-N 1 0 382.249 2.622 20 0 GFADRO O=C(Cc1cccc(I)c1)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000530022831 564860532 /nfs/dbraw/zinc/86/05/32/564860532.db2.gz KTVACVSBYHWQMD-MRXNPFEDSA-N 1 0 398.288 2.967 20 0 GFADRO O=C(Cc1cccc(I)c1)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000530022830 564860545 /nfs/dbraw/zinc/86/05/45/564860545.db2.gz KTVACVSBYHWQMD-INIZCTEOSA-N 1 0 398.288 2.967 20 0 GFADRO C[C@H](Cn1cc(Br)cn1)Nc1cccc(C[N@@H+]2CC[C@H](O)C2)c1 ZINC000462852113 564860667 /nfs/dbraw/zinc/86/06/67/564860667.db2.gz FLXSFELWWWVWNN-DYVFJYSZSA-N 1 0 379.302 2.713 20 0 GFADRO CN1CC[C@@H](NC(=O)C[N@H+](C)[C@H]2CCSC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000497264559 564863850 /nfs/dbraw/zinc/86/38/50/564863850.db2.gz GYYVYLSMMIMPTO-XCRHUMRWSA-N 1 0 385.936 2.778 20 0 GFADRO C[C@H](CNC(=O)[C@@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)c(Cl)c1)C[NH+](C)C ZINC000557468487 564864558 /nfs/dbraw/zinc/86/45/58/564864558.db2.gz GJYJOTFPSVFBJZ-NDGTYSDOSA-N 1 0 386.323 2.827 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)c1nc2ccc(Br)cn2n1)c1ccccc1 ZINC000582871383 564865478 /nfs/dbraw/zinc/86/54/78/564865478.db2.gz GTVPIJZBOBKLQP-CQSZACIVSA-N 1 0 388.269 2.525 20 0 GFADRO C[NH+](C)CCN1CCN(C(=O)CCCOc2ccc(Cl)cc2Cl)CC1 ZINC000497499761 564869502 /nfs/dbraw/zinc/86/95/02/564869502.db2.gz JVOUTAPBYJOQLP-UHFFFAOYSA-N 1 0 388.339 2.858 20 0 GFADRO COCCOC[C@H](O)C[NH2+]CC1(c2ccc(Br)s2)CCC1 ZINC000582960259 564870050 /nfs/dbraw/zinc/87/00/50/564870050.db2.gz JEMOTGVDHSVOFA-GFCCVEGCSA-N 1 0 378.332 2.546 20 0 GFADRO Cc1nc(NC(=O)[C@]23C[NH2+]C[C@@H]2CCCC3)ccc1I ZINC000463135689 564870530 /nfs/dbraw/zinc/87/05/30/564870530.db2.gz DDYOAFPBCVKJKS-XHDPSFHLSA-N 1 0 385.249 2.713 20 0 GFADRO C[C@H]1COCCN1C1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000583093905 564875741 /nfs/dbraw/zinc/87/57/41/564875741.db2.gz FGZICXUGBMWJLK-LBPRGKRZSA-N 1 0 393.336 2.867 20 0 GFADRO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)c2cn3ccc(Br)cc3n2)C1 ZINC000583159576 564878165 /nfs/dbraw/zinc/87/81/65/564878165.db2.gz GVAKUMDZFBHGRT-AWEZNQCLSA-N 1 0 391.313 2.901 20 0 GFADRO C[C@@H](CCn1cccn1)[NH2+]CCCNC(=O)c1ccc(Br)cc1 ZINC000497854529 564878809 /nfs/dbraw/zinc/87/88/09/564878809.db2.gz UXFLSVSQGUMATB-AWEZNQCLSA-N 1 0 379.302 2.834 20 0 GFADRO Cn1ccc(N2CCC[C@H]([N@H+](C)CCc3cccc(Br)c3)C2=O)n1 ZINC000463423050 564880251 /nfs/dbraw/zinc/88/02/51/564880251.db2.gz FUBGRZCJLFLKHK-INIZCTEOSA-N 1 0 391.313 2.853 20 0 GFADRO COC(=O)c1ccc(C[N@@H+]2CCC[C@H](CCNC(C)=O)C2)c(Br)c1 ZINC000583230912 564881842 /nfs/dbraw/zinc/88/18/42/564881842.db2.gz FKSNHXMIXAQQGS-CQSZACIVSA-N 1 0 397.313 2.974 20 0 GFADRO C[C@@H](CC(=O)Nc1nn(CC(F)(F)F)cc1Br)n1ccnc1 ZINC000583266833 564883101 /nfs/dbraw/zinc/88/31/01/564883101.db2.gz YANAHJNGESHSGN-QMMMGPOBSA-N 1 0 380.168 2.994 20 0 GFADRO O[C@@H](C[NH2+]Cc1cnc2n1CCCC2)COc1ccc(Br)cc1 ZINC000583258711 564883173 /nfs/dbraw/zinc/88/31/73/564883173.db2.gz FEAPTMKKLADMQO-HNNXBMFYSA-N 1 0 380.286 2.511 20 0 GFADRO OC[C@H]([NH2+]Cc1cccc(Br)c1OC(F)F)C1CCOCC1 ZINC000557932422 564885995 /nfs/dbraw/zinc/88/59/95/564885995.db2.gz CMZMKEUPQMAYBU-ZDUSSCGKSA-N 1 0 380.229 2.928 20 0 GFADRO COC[C@]1(CNC(=O)Nc2nc3c(cccc3Br)s2)CCC[NH2+]1 ZINC000583310622 564886584 /nfs/dbraw/zinc/88/65/84/564886584.db2.gz KPHJUJFSKXMFOD-OAHLLOKOSA-N 1 0 399.314 2.949 20 0 GFADRO CC[S@](=O)[C@@H]1CCC[C@H](NC(=O)[C@@H]2C[NH2+]C[C@H]2c2ccc(Cl)cc2)C1 ZINC000583330251 564886650 /nfs/dbraw/zinc/88/66/50/564886650.db2.gz RXSHPVBZASLKPI-NPTGITTLSA-N 1 0 382.957 2.839 20 0 GFADRO C[C@@H]1CCC[N@H+](CCNC(=O)NCCNc2cccc(Br)c2)C1 ZINC000498165075 564889950 /nfs/dbraw/zinc/88/99/50/564889950.db2.gz GHBMSDIVZPGEOC-CQSZACIVSA-N 1 0 383.334 2.892 20 0 GFADRO [NH3+]C[C@H](NC(=O)Cc1ccc(I)cc1)C1CCCCC1 ZINC000583494651 564893858 /nfs/dbraw/zinc/89/38/58/564893858.db2.gz ZXNMYMDFIVVVKI-HNNXBMFYSA-N 1 0 386.277 2.858 20 0 GFADRO CCCC[N@H+](C)C[C@H](C)NC(=O)C(=O)Nc1cc(C)cc(Br)c1 ZINC000558241533 564896522 /nfs/dbraw/zinc/89/65/22/564896522.db2.gz KFAQVAZKCNSJKD-ZDUSSCGKSA-N 1 0 384.318 2.933 20 0 GFADRO Cc1cccc(I)c1C(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000583632072 564900491 /nfs/dbraw/zinc/90/04/91/564900491.db2.gz MVZWXMFBFHALSO-BETUJISGSA-N 1 0 384.261 2.671 20 0 GFADRO COC(=O)[C@H](Cc1ccccc1)[C@@H](C)[NH2+]Cc1c(Br)cnn1C ZINC000583646310 564901519 /nfs/dbraw/zinc/90/15/19/564901519.db2.gz RUNJBAAZPKFZDH-TZMCWYRMSA-N 1 0 380.286 2.693 20 0 GFADRO CC[N@@H+]1C[C@H](C)N(C(=O)[C@@H](C)NC(=O)c2ccc(Br)cc2)C[C@H]1C ZINC000498552559 564902104 /nfs/dbraw/zinc/90/21/04/564902104.db2.gz AESYQUWRNCNCCZ-HZSPNIEDSA-N 1 0 396.329 2.509 20 0 GFADRO O[C@@H](C[NH2+]CCN1CCc2c(Cl)cccc2C1)COCc1cccs1 ZINC000583689259 564903412 /nfs/dbraw/zinc/90/34/12/564903412.db2.gz CBFPIGOSLZKFQY-INIZCTEOSA-N 1 0 380.941 2.927 20 0 GFADRO CC[C@H](CNC(=O)[C@@H]1CN(CC)CCO1)Cc1cccc(Br)c1 ZINC000498629405 564904531 /nfs/dbraw/zinc/90/45/31/564904531.db2.gz ZHDCOBHJNODJFX-YOEHRIQHSA-N 1 0 383.330 2.855 20 0 GFADRO CC[C@H](C(=O)NCC(=O)Nc1ccc(Br)c(C)c1)[NH+](CC)CC ZINC000531295617 564906711 /nfs/dbraw/zinc/90/67/11/564906711.db2.gz VGKMTQGCMYZDAV-OAHLLOKOSA-N 1 0 384.318 2.933 20 0 GFADRO CC(=O)N[C@@H](CC(=O)N1CC[N@@H+](C)CC[C@@H]1C)c1ccc(Br)cc1 ZINC000498734977 564906844 /nfs/dbraw/zinc/90/68/44/564906844.db2.gz CBXXDVFVAHITKP-GUYCJALGSA-N 1 0 396.329 2.569 20 0 GFADRO CC[N@H+](C)CCNC(=O)[C@H](C)SCc1nc2sc(C)c(C)c2c(=O)[nH]1 ZINC000498755512 564908033 /nfs/dbraw/zinc/90/80/33/564908033.db2.gz YVULQZZANUIQMP-LBPRGKRZSA-N 1 0 382.555 2.703 20 0 GFADRO CC(C)(O)C[N@H+](CC(=O)Nc1ccccc1Br)C1CCOCC1 ZINC000531416180 564909335 /nfs/dbraw/zinc/90/93/35/564909335.db2.gz PISOUXHGRXTOMG-UHFFFAOYSA-N 1 0 385.302 2.640 20 0 GFADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)N1CCC[C@@H]1c1ccc(Br)cc1 ZINC000531442850 564910321 /nfs/dbraw/zinc/91/03/21/564910321.db2.gz QYSKSFDWXFAPLG-DLBZAZTESA-N 1 0 395.345 2.541 20 0 GFADRO COC(=O)C[C@@]1([NH2+]Cc2cc(Br)ccc2OC(F)F)CCOC1 ZINC000464572280 564910510 /nfs/dbraw/zinc/91/05/10/564910510.db2.gz RELSKVVMENZMGM-HNNXBMFYSA-N 1 0 394.212 2.862 20 0 GFADRO C[C@@H](NC(=O)C(C)(C)S(=O)(=O)c1ccc(Cl)cc1)C(C)(C)C[NH+](C)C ZINC000498872734 564911691 /nfs/dbraw/zinc/91/16/91/564911691.db2.gz JGGXSLWWNFCVNQ-CYBMUJFWSA-N 1 0 388.961 2.985 20 0 GFADRO COC(=O)C[C@@]1([NH2+]CCOc2ccc(Cl)cc2Br)CCOC1 ZINC000464596835 564911856 /nfs/dbraw/zinc/91/18/56/564911856.db2.gz ZIOPWOAXCZBLIN-HNNXBMFYSA-N 1 0 392.677 2.793 20 0 GFADRO CC[N@@H+]1C[C@@H](C)N(CC(=O)N(C)Cc2ccccc2Br)C[C@H]1C ZINC000498929607 564912981 /nfs/dbraw/zinc/91/29/81/564912981.db2.gz PLOZGLXOHIWMLZ-HUUCEWRRSA-N 1 0 382.346 2.822 20 0 GFADRO C[C@H](NC(=O)[C@H]1CC[N@H+](C)C1)c1nc(-c2ccc(Br)cc2)no1 ZINC000531613504 564915195 /nfs/dbraw/zinc/91/51/95/564915195.db2.gz NDUBNFJPCBQNFZ-JQWIXIFHSA-N 1 0 379.258 2.628 20 0 GFADRO Cc1cc(NC(=O)C(=O)NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)sn1 ZINC000499063432 564916698 /nfs/dbraw/zinc/91/66/98/564916698.db2.gz KZTKRGLPPVWJHB-DOMZBBRYSA-N 1 0 378.523 2.651 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)N1CCC([C@@H](O)C(F)(F)F)CC1)c1cccs1 ZINC000531738975 564919165 /nfs/dbraw/zinc/91/91/65/564919165.db2.gz JOWYIQDIOSYRBM-GXTWGEPZSA-N 1 0 379.448 2.696 20 0 GFADRO CC(=O)N[C@H](CC(=O)N1CCC[C@H]1C[NH+](C)C)c1ccc(Br)cc1 ZINC000464923308 564920451 /nfs/dbraw/zinc/92/04/51/564920451.db2.gz WGJXAVGFLZVHSO-DLBZAZTESA-N 1 0 396.329 2.569 20 0 GFADRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)NCCOc2ncc(Cl)cc2Cl)C1 ZINC000531884458 564922942 /nfs/dbraw/zinc/92/29/42/564922942.db2.gz MRNJHZSRUUJBAO-LBPRGKRZSA-N 1 0 375.300 2.797 20 0 GFADRO O[C@H](C[NH2+][C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1)COC1CCOCC1 ZINC000584168541 564923514 /nfs/dbraw/zinc/92/35/14/564923514.db2.gz ODSCZKVUOQYZBD-DZGCQCFKSA-N 1 0 389.323 2.718 20 0 GFADRO C[C@@H]([NH2+]C1CC1)C(=O)NCC1(c2ccc(Br)cc2)CCOCC1 ZINC000584229197 564926205 /nfs/dbraw/zinc/92/62/05/564926205.db2.gz KUWRBNBYWLZOQF-CYBMUJFWSA-N 1 0 381.314 2.754 20 0 GFADRO Cc1ccc(Br)cc1C(=O)N1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000532089132 564929101 /nfs/dbraw/zinc/92/91/01/564929101.db2.gz UYRJOXRLXGJZIG-KRWDZBQOSA-N 1 0 394.357 2.998 20 0 GFADRO C[C@H](CNC(=O)NCCc1cccc(Cl)c1Cl)C[NH+]1CCN(C)CC1 ZINC000465640624 564930784 /nfs/dbraw/zinc/93/07/84/564930784.db2.gz RMIZKDZKEUQTAB-CQSZACIVSA-N 1 0 387.355 2.719 20 0 GFADRO C[C@H](CNC(=O)C(=O)N[C@H](C)c1cc(F)c(Cl)cc1Cl)[N@H+](C)C1CC1 ZINC000559405706 564931952 /nfs/dbraw/zinc/93/19/52/564931952.db2.gz NAQGUFFCTILTOZ-NXEZZACHSA-N 1 0 390.286 2.909 20 0 GFADRO CCS[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000559394650 564932363 /nfs/dbraw/zinc/93/23/63/564932363.db2.gz YYEIMDDHRRDLMG-RRFJBIMHSA-N 1 0 383.583 2.648 20 0 GFADRO C[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1)[C@@H]1CCOC1 ZINC000466107233 564934852 /nfs/dbraw/zinc/93/48/52/564934852.db2.gz CAPZNTRKLADNOP-GOEBONIOSA-N 1 0 398.345 2.947 20 0 GFADRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1cc(=O)c2cc(Br)ccc2[nH]1 ZINC000532333982 564934929 /nfs/dbraw/zinc/93/49/29/564934929.db2.gz NFWGSTHGFAHZGO-MGPLVRAMSA-N 1 0 390.281 2.503 20 0 GFADRO C[C@H](CNC(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1)Oc1ccc(Br)cc1 ZINC000466032197 564935209 /nfs/dbraw/zinc/93/52/09/564935209.db2.gz HWYQYSWPKZHGBX-UMVBOHGHSA-N 1 0 384.318 2.998 20 0 GFADRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)c1cc(Br)cnc1N(C)C ZINC000499820272 564937214 /nfs/dbraw/zinc/93/72/14/564937214.db2.gz VSSYONAFWYCWJN-CHWSQXEVSA-N 1 0 383.334 2.903 20 0 GFADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NCc1cccc(Cl)c1Cl ZINC000559632377 564937681 /nfs/dbraw/zinc/93/76/81/564937681.db2.gz MXVSADFBWDWZNM-KGLIPLIRSA-N 1 0 384.307 2.695 20 0 GFADRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)Nc2cc(Br)ccn2)C1 ZINC000499869149 564938604 /nfs/dbraw/zinc/93/86/04/564938604.db2.gz WFGQAUSGZIIUDC-CQSZACIVSA-N 1 0 385.306 2.809 20 0 GFADRO CCn1nc(C)c(C[NH2+]CCCNS(=O)(=O)c2ccccc2Cl)c1C ZINC000466392057 564939496 /nfs/dbraw/zinc/93/94/96/564939496.db2.gz ZPYYEUABBQWFDR-UHFFFAOYSA-N 1 0 384.933 2.631 20 0 GFADRO CC[N@@H+]1C[C@@H](C)N(C(=O)c2ccc(Br)cc2-n2cncn2)C[C@H]1C ZINC000500122166 564946221 /nfs/dbraw/zinc/94/62/21/564946221.db2.gz NZIRFEAIXZZGBI-CHWSQXEVSA-N 1 0 392.301 2.585 20 0 GFADRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N1CCc2cccc(Br)c2C1 ZINC000466755814 564947266 /nfs/dbraw/zinc/94/72/66/564947266.db2.gz QDTAWNKWFGHFCA-SJCJKPOMSA-N 1 0 378.314 3.000 20 0 GFADRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N(C)CCOc1ccc(Br)cc1 ZINC000466796204 564947699 /nfs/dbraw/zinc/94/76/99/564947699.db2.gz RLXHJVRUVNCWIY-GUYCJALGSA-N 1 0 396.329 2.952 20 0 GFADRO OC[C@H](Cc1ccc(F)cc1)[NH2+]Cc1cnc2ccc(Br)cn12 ZINC000500247928 564948987 /nfs/dbraw/zinc/94/89/87/564948987.db2.gz CHZYEUOMGTWLKJ-HNNXBMFYSA-N 1 0 378.245 2.929 20 0 GFADRO CC[NH+](CC)CCOC1CCN(S(=O)(=O)c2ccc(SC)cc2)CC1 ZINC000466884006 564949487 /nfs/dbraw/zinc/94/94/87/564949487.db2.gz JMKBTVJCGHRSEX-UHFFFAOYSA-N 1 0 386.583 2.920 20 0 GFADRO C[N@H+](CCC(=O)Nc1cc(Cl)ccc1Cl)C[C@@H]1CCS(=O)(=O)C1 ZINC000532972767 564950840 /nfs/dbraw/zinc/95/08/40/564950840.db2.gz REGSVDRWZNEQMN-NSHDSACASA-N 1 0 379.309 2.689 20 0 GFADRO CNC(=O)[C@@H]([NH2+]Cc1ccc(I)cc1Cl)C(C)C ZINC000500359812 564951202 /nfs/dbraw/zinc/95/12/02/564951202.db2.gz MLSXYFBNPFHWEH-LBPRGKRZSA-N 1 0 380.657 2.805 20 0 GFADRO OC[C@H]([NH2+]Cc1ccc(I)cc1Cl)C1CCOCC1 ZINC000500362445 564951386 /nfs/dbraw/zinc/95/13/86/564951386.db2.gz DANTVQJXHIPSMF-AWEZNQCLSA-N 1 0 395.668 2.822 20 0 GFADRO C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000467019816 564952480 /nfs/dbraw/zinc/95/24/80/564952480.db2.gz DEQXAFQVWLVEPD-JRPNMDOOSA-N 1 0 384.307 2.711 20 0 GFADRO CCC(=O)N[C@@H]1CCC[N@H+](C[C@@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000500463380 564954419 /nfs/dbraw/zinc/95/44/19/564954419.db2.gz NPGRHOWUMOBOGJ-ZIAGYGMSSA-N 1 0 375.296 2.724 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000467092506 564956176 /nfs/dbraw/zinc/95/61/76/564956176.db2.gz NWEYXRFXQVFHRI-SWLSCSKDSA-N 1 0 394.313 2.603 20 0 GFADRO Cc1ccc(C[NH2+][C@@H]2CCC[C@H]2CNS(C)(=O)=O)c(Br)c1 ZINC000500570847 564957196 /nfs/dbraw/zinc/95/71/96/564957196.db2.gz MPLDCTMNBVVVOA-DZGCQCFKSA-N 1 0 375.332 2.565 20 0 GFADRO C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)c1nccn2nnnc12 ZINC000533205108 564958018 /nfs/dbraw/zinc/95/80/18/564958018.db2.gz LORSUEGFKMSQSX-UHFFFAOYSA-N 1 0 380.283 2.784 20 0 GFADRO COCCCNC(=O)C[N@H+](Cc1cccc(Br)c1)C1CCOCC1 ZINC000467301001 564960415 /nfs/dbraw/zinc/96/04/15/564960415.db2.gz XFUGGYTYQXKAFJ-UHFFFAOYSA-N 1 0 399.329 2.583 20 0 GFADRO Brc1cccc([C@@H]([NH2+]CCNc2cnccn2)C2CCOCC2)c1 ZINC000467398811 564961763 /nfs/dbraw/zinc/96/17/63/564961763.db2.gz LUOYYBWSOQCHCU-SFHVURJKSA-N 1 0 391.313 3.409 20 0 GFADRO CO[C@H](C)C[N@H+](CC(=O)Nc1cccc(I)c1)C(C)C ZINC000533431420 564963297 /nfs/dbraw/zinc/96/32/97/564963297.db2.gz PIVOUFPJWSZLMR-GFCCVEGCSA-N 1 0 390.265 2.975 20 0 GFADRO C[C@H]1C[C@H](NC(=O)c2cccc(F)c2I)CC[N@@H+]1C ZINC000533536581 564964644 /nfs/dbraw/zinc/96/46/44/564964644.db2.gz XVPZEFORMMGBDD-VHSXEESVSA-N 1 0 376.213 2.643 20 0 GFADRO C[C@H]1CN(C(=O)c2ccc(S(=O)(=O)c3ccccc3)s2)C[C@H]1[NH+](C)C ZINC000467520014 564966408 /nfs/dbraw/zinc/96/64/08/564966408.db2.gz GTQZDMMKOOLAMF-DZGCQCFKSA-N 1 0 378.519 2.603 20 0 GFADRO O[C@H](C[NH2+]C[C@H]1CC=CCC1)COc1ccc(I)cc1 ZINC000533565075 564966812 /nfs/dbraw/zinc/96/68/12/564966812.db2.gz RENKZCYBCHEFAT-DZGCQCFKSA-N 1 0 387.261 2.977 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)c2cc(Br)cnc2OCC2CC2)C[N@@H+]1C1CC1 ZINC000560576615 564968025 /nfs/dbraw/zinc/96/80/25/564968025.db2.gz QCQMEADFCNZRIN-BXUZGUMPSA-N 1 0 394.313 2.988 20 0 GFADRO O=S(=O)([C@H]1CCC[N@H+](Cc2cc3ccccc3s2)C1)N1CCOCC1 ZINC000501113814 564970689 /nfs/dbraw/zinc/97/06/89/564970689.db2.gz OQOZXDOBOYQASP-KRWDZBQOSA-N 1 0 380.535 2.528 20 0 GFADRO C[C@H](NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)c1nc(C(F)(F)F)cs1 ZINC000467731283 564971171 /nfs/dbraw/zinc/97/11/71/564971171.db2.gz AWMPPRJRBFLSNT-RYUDHWBXSA-N 1 0 378.464 2.755 20 0 GFADRO CC(C)[NH+](CCCNS(=O)(=O)c1cncc(Br)c1)C(C)C ZINC000467788563 564972565 /nfs/dbraw/zinc/97/25/65/564972565.db2.gz MXJMHJPVWDZSMA-UHFFFAOYSA-N 1 0 378.336 2.631 20 0 GFADRO COc1ccc(S(=O)(=O)N2CCC(C[NH+](C)C)CC2)c(Cl)c1Cl ZINC000501183714 564972939 /nfs/dbraw/zinc/97/29/39/564972939.db2.gz DWRPLORVDRAYOT-UHFFFAOYSA-N 1 0 381.325 2.964 20 0 GFADRO C[N@H+](CC1CC1)C[C@@H]1CCN(S(=O)(=O)c2ccc(Br)cc2)C1 ZINC000467801614 564973113 /nfs/dbraw/zinc/97/31/13/564973113.db2.gz VAUMYSVRQSTYLZ-AWEZNQCLSA-N 1 0 387.343 2.802 20 0 GFADRO C[C@H](CNC(=O)CCC[S@](=O)c1ccc(Br)cc1)C[NH+](C)C ZINC000560706781 564973118 /nfs/dbraw/zinc/97/31/18/564973118.db2.gz NFDXHKISMBMKLI-DMZKTXOQSA-N 1 0 389.359 2.651 20 0 GFADRO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)C(=O)Nc1cnc(C)s1 ZINC000501363172 564977808 /nfs/dbraw/zinc/97/78/08/564977808.db2.gz RVFCDLUKLXKMLC-UHFFFAOYSA-N 1 0 380.436 2.513 20 0 GFADRO CC[NH+]1CCN(CC(=O)Nc2cc(Cl)ccc2OCC(F)(F)F)CC1 ZINC000468184273 564979696 /nfs/dbraw/zinc/97/96/96/564979696.db2.gz VEEGRSUDLKBYGI-UHFFFAOYSA-N 1 0 379.810 2.857 20 0 GFADRO COC(=O)c1c(C)c(NC(=O)N2CCC[C@H](C[NH3+])C2)ccc1Br ZINC000561028746 564981668 /nfs/dbraw/zinc/98/16/68/564981668.db2.gz GWTUJJVPQIOOHI-LLVKDONJSA-N 1 0 384.274 2.747 20 0 GFADRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)NCc1ccc(S(C)(=O)=O)s1 ZINC000468423326 564983374 /nfs/dbraw/zinc/98/33/74/564983374.db2.gz LHXMBALVTZNTJK-AWEZNQCLSA-N 1 0 387.571 2.605 20 0 GFADRO Cn1ccnc1[C@@H](NC(=O)C[N@H+](C)[C@@H]1CCSC1)c1ccc(Cl)cc1 ZINC000534268738 564983656 /nfs/dbraw/zinc/98/36/56/564983656.db2.gz PHNZEUAFAHYIDB-WBVHZDCISA-N 1 0 378.929 2.716 20 0 GFADRO OC[C@@H]([NH2+]Cc1ccc(-n2cncn2)c(F)c1)c1ccc(Br)cc1 ZINC000534316707 564985136 /nfs/dbraw/zinc/98/51/36/564985136.db2.gz DYPGZVKHTBWUDW-MRXNPFEDSA-N 1 0 391.244 2.992 20 0 GFADRO C[C@@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000468518753 564985712 /nfs/dbraw/zinc/98/57/12/564985712.db2.gz QHEUSUMFDCLYAM-JSGCOSHPSA-N 1 0 386.323 2.923 20 0 GFADRO C[C@]1(CNC(=O)N2CCO[C@@H](c3cccc(Br)c3)C2)CCC[NH2+]C1 ZINC000561215371 564987895 /nfs/dbraw/zinc/98/78/95/564987895.db2.gz MJKDEFFSRVNFQP-AEFFLSMTSA-N 1 0 396.329 2.922 20 0 GFADRO COCC[N@@H+]1CCC[C@H]1CNCc1cn(-c2ccc(Cl)cc2Cl)nn1 ZINC000534467116 564989438 /nfs/dbraw/zinc/98/94/38/564989438.db2.gz ZFIRELBMOSTRMS-HNNXBMFYSA-N 1 0 384.311 2.775 20 0 GFADRO O=C(NCCn1cc(Br)cn1)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000561330569 564991358 /nfs/dbraw/zinc/99/13/58/564991358.db2.gz MIPBADONGBVIMX-KRWDZBQOSA-N 1 0 391.313 2.817 20 0 GFADRO CC(C)(COc1ncccc1C(F)(F)F)[NH2+]CC1CCS(=O)(=O)CC1 ZINC000502313014 564995633 /nfs/dbraw/zinc/99/56/33/564995633.db2.gz AQCKUSBAEKDNGV-UHFFFAOYSA-N 1 0 380.432 2.672 20 0 GFADRO CS[C@H]1CN(C(=O)c2ccnc(-c3ccc(Cl)cc3)n2)C[C@H]1[NH+](C)C ZINC000502474674 564999889 /nfs/dbraw/zinc/99/98/89/564999889.db2.gz SKPXFHKKBKDIBV-CVEARBPZSA-N 1 0 376.913 2.915 20 0 GFADRO C[NH+](C)C[C@](C)(O)CNC(=O)N[C@@H](c1ccc(Br)cc1)C1CCC1 ZINC000502510242 565000222 /nfs/dbraw/zinc/00/02/22/565000222.db2.gz ORYMBRXMWBSBAI-SJLPKXTDSA-N 1 0 398.345 2.902 20 0 GFADRO COc1cc(Cl)c(S(=O)(=O)N2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)cc1OC ZINC000561552381 565001075 /nfs/dbraw/zinc/00/10/75/565001075.db2.gz OGIDRSKGWZKGET-GXTWGEPZSA-N 1 0 388.917 2.605 20 0 GFADRO COc1cccc(CC[NH2+][C@@H](C(N)=O)c2cccc(Br)c2)c1OC ZINC000534996648 565001547 /nfs/dbraw/zinc/00/15/47/565001547.db2.gz BANKILMEHRZWCI-MRXNPFEDSA-N 1 0 393.281 2.825 20 0 GFADRO CN(CC1CC[NH+](C)CC1)C(=O)[C@@H]1CC(=O)Nc2ccc(Br)cc21 ZINC000468988614 565001710 /nfs/dbraw/zinc/00/17/10/565001710.db2.gz NFKHLUGVZVJYPR-OAHLLOKOSA-N 1 0 394.313 2.675 20 0 GFADRO CS(=O)(=O)c1ccc(OCCC[NH2+][C@@H]2CCCC[C@H]2OC(F)F)cc1 ZINC000502567142 565001916 /nfs/dbraw/zinc/00/19/16/565001916.db2.gz UFFPDGABOAGUBO-HZPDHXFCSA-N 1 0 377.453 2.999 20 0 GFADRO COc1cccc(N2C[C@@H]([NH2+]Cc3cncc(Br)c3)CC2=O)c1 ZINC000502715928 565003631 /nfs/dbraw/zinc/00/36/31/565003631.db2.gz QOLHOCWEUFCCNP-AWEZNQCLSA-N 1 0 376.254 2.748 20 0 GFADRO Cc1cnc(CC[N@@H+](C)Cc2cc(=O)n3cc(Br)ccc3n2)s1 ZINC000535114834 565004902 /nfs/dbraw/zinc/00/49/02/565004902.db2.gz CETDMSYWJBEBGX-UHFFFAOYSA-N 1 0 393.310 2.896 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)c1cn(-c2ccc(Br)cc2)cn1 ZINC000535124789 565005900 /nfs/dbraw/zinc/00/59/00/565005900.db2.gz FFKXYKCXJTZCMK-CYBMUJFWSA-N 1 0 375.270 2.601 20 0 GFADRO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)c1cc(Br)c(C)n(C)c1=O ZINC000469111074 565006213 /nfs/dbraw/zinc/00/62/13/565006213.db2.gz WQKSYKUAMLRSLL-AWEZNQCLSA-N 1 0 398.345 2.841 20 0 GFADRO CC[N@H+](CCNS(=O)(=O)c1cc(Cl)ccc1O[C@@H](C)COC)C(C)C ZINC000469129612 565006703 /nfs/dbraw/zinc/00/67/03/565006703.db2.gz ZFCWJBPLEZMHQQ-AWEZNQCLSA-N 1 0 392.949 2.762 20 0 GFADRO OC[C@H](C[NH2+]Cc1cnn(-c2ccc(Br)cc2)c1)c1cccnc1 ZINC000561746863 565007996 /nfs/dbraw/zinc/00/79/96/565007996.db2.gz CDDRURIECHWZEF-INIZCTEOSA-N 1 0 387.281 2.896 20 0 GFADRO C[C@@H]([NH2+]C[C@@H](O)CN1C[C@@H](C)O[C@H](C)C1)c1ccc(Br)cc1F ZINC000561796570 565009623 /nfs/dbraw/zinc/00/96/23/565009623.db2.gz AULHUFNXBHYFNX-RGCMKSIDSA-N 1 0 389.309 2.709 20 0 GFADRO Nc1nsc(N2CC[NH+](CC/C=C/c3ccc(Br)cc3)CC2)n1 ZINC000469245807 565010686 /nfs/dbraw/zinc/01/06/86/565010686.db2.gz NTFKQWIOQUFTGZ-HNQUOIGGSA-N 1 0 394.342 3.108 20 0 GFADRO C[C@@H](CNC(=O)c1cc[nH]c(=O)c1Br)[N@@H+]1CCc2ccccc2C1 ZINC000469299957 565013205 /nfs/dbraw/zinc/01/32/05/565013205.db2.gz SQGREZVDEBZNSH-LBPRGKRZSA-N 1 0 390.281 2.726 20 0 GFADRO CCC[N@@H+]1CCC[C@@H]1C(=O)N(CCO)Cc1cc(Br)ccc1F ZINC000535413375 565013214 /nfs/dbraw/zinc/01/32/14/565013214.db2.gz LFACELYVSHMZMV-MRXNPFEDSA-N 1 0 387.293 2.784 20 0 GFADRO CS[C@@H]1CN(C(=O)c2cnn(-c3ccccc3Cl)c2C)C[C@@H]1[NH+](C)C ZINC000535541733 565015524 /nfs/dbraw/zinc/01/55/24/565015524.db2.gz HOIMNMOOHCPLBZ-DLBZAZTESA-N 1 0 378.929 2.952 20 0 GFADRO CC[NH+](CC)CCS(=O)(=O)NCC1(c2cccc(Cl)c2)CCOCC1 ZINC000562067340 565016996 /nfs/dbraw/zinc/01/69/96/565016996.db2.gz JWZBZJBZEUJLHS-UHFFFAOYSA-N 1 0 388.961 2.649 20 0 GFADRO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCCCNC(=O)c1ccc(Br)cc1 ZINC000469415159 565017357 /nfs/dbraw/zinc/01/73/57/565017357.db2.gz APLCVMFDEKESRO-ZIAGYGMSSA-N 1 0 396.329 2.558 20 0 GFADRO CC[N@H+](CCOCCO)[C@@H](C)C(=O)N[C@H](C)c1ccc(Cl)cc1Cl ZINC000503403686 565018437 /nfs/dbraw/zinc/01/84/37/565018437.db2.gz DGHJKFYOKSUPEW-OLZOCXBDSA-N 1 0 377.312 2.890 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)[C@H]2CC(=O)Nc3ccc(Br)cc32)C1 ZINC000469548992 565019937 /nfs/dbraw/zinc/01/99/37/565019937.db2.gz FTGJUDINLXYREL-NFAWXSAZSA-N 1 0 394.313 2.864 20 0 GFADRO C[C@@H](C[NH+](C)C)NC(=O)NCc1ccc(Cl)cc1I ZINC000503532193 565022463 /nfs/dbraw/zinc/02/24/63/565022463.db2.gz JOZMFYJDKMYTQW-VIFPVBQESA-N 1 0 395.672 2.694 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)c1cccc(Br)c1F ZINC000469668409 565023961 /nfs/dbraw/zinc/02/39/61/565023961.db2.gz DIGBUPVMBWQUJT-DFBGVHRSSA-N 1 0 385.277 2.912 20 0 GFADRO C[N@@H+]1CCC[C@@H]1CNC(=O)C1(c2ccc(I)cc2)CC1 ZINC000503588586 565024302 /nfs/dbraw/zinc/02/43/02/565024302.db2.gz KESZTHAHGCXJEJ-CQSZACIVSA-N 1 0 384.261 2.533 20 0 GFADRO C[C@H](CC[NH+](C)C)NC(=O)C1(c2ccc(I)cc2)CC1 ZINC000503617872 565024988 /nfs/dbraw/zinc/02/49/88/565024988.db2.gz MMNFSPXKNUDYQT-GFCCVEGCSA-N 1 0 386.277 2.779 20 0 GFADRO Cc1[nH]c(=O)c(Br)cc1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000503673508 565025566 /nfs/dbraw/zinc/02/55/66/565025566.db2.gz ZIZKYZDDQIGLEX-AWEZNQCLSA-N 1 0 390.281 2.862 20 0 GFADRO C[C@@H](c1ccc(N2CCCS2(=O)=O)cc1)[N@H+](C)C[C@H](O)CC(F)(F)F ZINC000469777720 565026807 /nfs/dbraw/zinc/02/68/07/565026807.db2.gz AMWDJEHIMDMNSJ-SWLSCSKDSA-N 1 0 380.432 2.533 20 0 GFADRO C[C@H](NC(=O)NC1CC([NH+]2CCCCC2)C1)c1ncc(Br)cn1 ZINC000562396168 565027610 /nfs/dbraw/zinc/02/76/10/565027610.db2.gz NSNGTXSJIVNKRS-XGNXJENSSA-N 1 0 382.306 2.616 20 0 GFADRO O=S(=O)(CC[NH2+]CCOc1ccccc1)c1cccc(Br)c1 ZINC000562390430 565027627 /nfs/dbraw/zinc/02/76/27/565027627.db2.gz AQKWJLWMOMHSNZ-UHFFFAOYSA-N 1 0 384.295 2.891 20 0 GFADRO CC(C)(C)[N@@H+]1CCCN(C(=O)c2cncc(I)c2)CC1 ZINC000536054577 565028073 /nfs/dbraw/zinc/02/80/73/565028073.db2.gz YZNHRLVQTDUSCK-UHFFFAOYSA-N 1 0 387.265 2.633 20 0 GFADRO COC(=O)[C@@H](c1cccc(Cl)c1Cl)N1CCC[N@@H+]([C@H](C)CO)CC1 ZINC000469826404 565028460 /nfs/dbraw/zinc/02/84/60/565028460.db2.gz FKCRIRGKCITRBE-MLGOLLRUSA-N 1 0 375.296 2.596 20 0 GFADRO COC(=O)[C@@H]1CC[N@H+]([C@@H](C)C(=O)N(C)Cc2ccc(Br)cc2)[C@@H]1C ZINC000469851301 565030227 /nfs/dbraw/zinc/03/02/27/565030227.db2.gz YQIVLGDPPPAUED-DVOMOZLQSA-N 1 0 397.313 2.679 20 0 GFADRO CN1CC[NH+](CCCCNC(=O)NCc2cc(Cl)sc2Cl)CC1 ZINC000536135673 565030283 /nfs/dbraw/zinc/03/02/83/565030283.db2.gz HTAMOPBFHJECEG-UHFFFAOYSA-N 1 0 379.357 2.882 20 0 GFADRO CS(=O)(=O)NC[C@@H]1CCC[C@@H]1[NH2+]Cc1c(F)cccc1OC(F)(F)F ZINC000562509829 565031574 /nfs/dbraw/zinc/03/15/74/565031574.db2.gz NMKNKIQBPSZUES-GWCFXTLKSA-N 1 0 384.395 2.532 20 0 GFADRO CC[C@@H](CO)[NH+]1CCN(C(=O)CCOc2cccc(Cl)c2Cl)CC1 ZINC000536229174 565033083 /nfs/dbraw/zinc/03/30/83/565033083.db2.gz XAOZGDAPULYYAF-ZDUSSCGKSA-N 1 0 375.296 2.677 20 0 GFADRO NC(=O)[C@@H](Cc1ccccc1)[NH2+][C@H]1CCN(c2cccc(Br)c2)C1 ZINC000562586297 565034604 /nfs/dbraw/zinc/03/46/04/565034604.db2.gz ZLIFDYUVGLJPBI-FUHWJXTLSA-N 1 0 388.309 2.714 20 0 GFADRO CC(C)[NH+](CCN(C)C(=O)c1ccc(Cl)c(NS(C)(=O)=O)c1)C(C)C ZINC000504181053 565036375 /nfs/dbraw/zinc/03/63/75/565036375.db2.gz AXEPZXJQHVCQEW-UHFFFAOYSA-N 1 0 389.949 2.902 20 0 GFADRO CC[NH+]1CCN(CC(=O)Nc2ccc(OCC(F)(F)F)c(Cl)c2)CC1 ZINC000504285001 565037172 /nfs/dbraw/zinc/03/71/72/565037172.db2.gz XBALLQUKECLJOD-UHFFFAOYSA-N 1 0 379.810 2.857 20 0 GFADRO C[C@H](Oc1ccccc1Br)C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000470069280 565037206 /nfs/dbraw/zinc/03/72/06/565037206.db2.gz CZAKACHBWWIGRY-CABCVRRESA-N 1 0 399.329 2.834 20 0 GFADRO CC[N@H+](CCNC(=O)C(=O)Nc1ccc(Cl)c(OC(F)F)c1)C(C)C ZINC000504367369 565038654 /nfs/dbraw/zinc/03/86/54/565038654.db2.gz DBTHBPCHSLCRFC-UHFFFAOYSA-N 1 0 377.819 2.726 20 0 GFADRO C[C@@H](CO)[N@@H+]1CCCN(Cc2ccc(OC(F)F)c(Br)c2)CC1 ZINC000470130527 565039300 /nfs/dbraw/zinc/03/93/00/565039300.db2.gz COENDEJXGLFZBT-LBPRGKRZSA-N 1 0 393.272 2.939 20 0 GFADRO CS(=O)(=O)C1CCC([NH2+]Cc2cn3ccc(Br)cc3n2)CC1 ZINC000562904302 565046841 /nfs/dbraw/zinc/04/68/41/565046841.db2.gz JFWMARRNDXPDSQ-UHFFFAOYSA-N 1 0 386.315 2.542 20 0 GFADRO C[C@H]([NH2+][C@@H]1CC(=O)N([C@@H]2C[C@@H]2C)C1)c1ccc(I)cc1 ZINC000536879905 565048105 /nfs/dbraw/zinc/04/81/05/565048105.db2.gz WAPNAELAPSBXLO-UOVKNHIHSA-N 1 0 384.261 2.951 20 0 GFADRO C[C@@H]([NH2+]CCCNC(=O)c1cccs1)c1cccc(NS(C)(=O)=O)c1 ZINC000536867232 565048394 /nfs/dbraw/zinc/04/83/94/565048394.db2.gz BUNSCSMSNANXAE-CYBMUJFWSA-N 1 0 381.523 2.590 20 0 GFADRO CNC(=O)[C@H]1CCC[C@@H]1[NH2+]C1CCN(Cc2ccccc2Br)CC1 ZINC000536892556 565048906 /nfs/dbraw/zinc/04/89/06/565048906.db2.gz GYTQSDLUTKHSKD-WMZOPIPTSA-N 1 0 394.357 2.918 20 0 GFADRO C[C@@H]1CSc2ccc(Br)cc2[C@H]1NC(=O)CCOC1C[NH2+]C1 ZINC000562971635 565049902 /nfs/dbraw/zinc/04/99/02/565049902.db2.gz VVZXTGDTWPKSKU-HWPZZCPQSA-N 1 0 385.327 2.727 20 0 GFADRO CO[C@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)N1CCC[N@H+](C)CC1 ZINC000537008965 565050907 /nfs/dbraw/zinc/05/09/07/565050907.db2.gz XQACQSXUPZCXPZ-CJNGLKHVSA-N 1 0 384.318 2.872 20 0 GFADRO Cc1cc(N2CC[C@H]([NH2+]C[C@@H](O)CC(F)(F)F)C2=O)ccc1Br ZINC000563013676 565051841 /nfs/dbraw/zinc/05/18/41/565051841.db2.gz LDYGWUCCTWEVRD-AAEUAGOBSA-N 1 0 395.219 2.766 20 0 GFADRO CCCN(CCC[NH+](C)C)C(=O)[C@@H](C)NC(=O)c1ccc(Br)cc1 ZINC000470676114 565052289 /nfs/dbraw/zinc/05/22/89/565052289.db2.gz XXDWASMMUONORJ-CQSZACIVSA-N 1 0 398.345 2.758 20 0 GFADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)Nc1cc(F)c(Br)c(F)c1 ZINC000537082169 565052416 /nfs/dbraw/zinc/05/24/16/565052416.db2.gz UXDIRDYRDLPVNV-VIFPVBQESA-N 1 0 392.244 2.512 20 0 GFADRO C[C@@H]1CCN(C(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)CC[S@@]1=O ZINC000563040960 565052841 /nfs/dbraw/zinc/05/28/41/565052841.db2.gz FPPSRRXFMLGBMH-BPCAQTKCSA-N 1 0 383.583 2.684 20 0 GFADRO CN(C(=O)Cn1cc(Br)cn1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000470684370 565053076 /nfs/dbraw/zinc/05/30/76/565053076.db2.gz UAKBANAEGIXOOH-QGZVFWFLSA-N 1 0 391.313 2.769 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2Br)C1 ZINC000563119496 565056325 /nfs/dbraw/zinc/05/63/25/565056325.db2.gz BFHNYUNQKNOURZ-QWRGUYRKSA-N 1 0 395.750 2.992 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)c(C)c1C(=O)NCC1=CC[NH2+]CC1 ZINC000563160232 565057454 /nfs/dbraw/zinc/05/74/54/565057454.db2.gz ZKYFWSRXRVYUEO-UHFFFAOYSA-N 1 0 389.297 2.901 20 0 GFADRO CC[NH+](CC)CC[C@H](CO)NC(=O)CSc1cccc(Br)c1 ZINC000537720707 565062176 /nfs/dbraw/zinc/06/21/76/565062176.db2.gz PIIPAOSJMNZQEP-CQSZACIVSA-N 1 0 389.359 2.750 20 0 GFADRO COc1cc(C[NH2+][C@@]2(C)CCCOC2)cc(I)c1OC ZINC000537866193 565063961 /nfs/dbraw/zinc/06/39/61/565063961.db2.gz QBTDKGHVHFJMOQ-HNNXBMFYSA-N 1 0 391.249 2.967 20 0 GFADRO O=S1(=O)CC[C@H](CC[NH2+][C@H](CO)c2ccc(Cl)cc2C(F)(F)F)C1 ZINC000684628510 565076499 /nfs/dbraw/zinc/07/64/99/565076499.db2.gz POYNMQWVQVZPBL-IINYFYTJSA-N 1 0 385.835 2.807 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)C1CCN(C(=O)c2ccc(Cl)s2)CC1 ZINC000613658931 565076790 /nfs/dbraw/zinc/07/67/90/565076790.db2.gz DGGSJULKTPSMDO-ZIAGYGMSSA-N 1 0 383.945 2.853 20 0 GFADRO CCn1c(CNC(=O)C[C@H]2CC[N@H+](C)C2)nc2cc(Br)ccc21 ZINC000635848268 565077596 /nfs/dbraw/zinc/07/75/96/565077596.db2.gz BNNSEBVOYHSMJE-GFCCVEGCSA-N 1 0 379.302 2.777 20 0 GFADRO C[C@]([NH3+])(C(=O)N1CCSC2(CCOCC2)C1)c1ccc(Br)cc1 ZINC000584358180 565077657 /nfs/dbraw/zinc/07/76/57/565077657.db2.gz MXWQTZVSAUWJFF-MRXNPFEDSA-N 1 0 399.354 2.748 20 0 GFADRO O=C(NC[C@@H](CO)Cc1ccccc1Br)C12CCC[NH+](CCC1)C2 ZINC000635853124 565077831 /nfs/dbraw/zinc/07/78/31/565077831.db2.gz FCNMXBWZFDNILM-HNNXBMFYSA-N 1 0 395.341 2.592 20 0 GFADRO C[N@@H+]1CCC[C@H](CNS(=O)(=O)c2cc(Cl)ccc2Br)C1 ZINC000584387380 565078126 /nfs/dbraw/zinc/07/81/26/565078126.db2.gz UWPVCNGJNIVKQG-SNVBAGLBSA-N 1 0 381.723 2.723 20 0 GFADRO C[C@H](C[C@H]1CCOC1)[NH2+][C@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000684676557 565079484 /nfs/dbraw/zinc/07/94/84/565079484.db2.gz BUVBFOHRFDPDML-IJLUTSLNSA-N 1 0 391.331 2.562 20 0 GFADRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)c3cc(F)c(Cl)c(N)c3Cl)[C@H]2C1 ZINC000635962483 565084420 /nfs/dbraw/zinc/08/44/20/565084420.db2.gz JAUDIQAXBNJXBL-NWDGAFQWSA-N 1 0 376.259 2.650 20 0 GFADRO CC(C)[C@@H]1CN(C(=O)[C@@H]2CCO[C@H]2c2cncc(Br)c2)CC[N@@H+]1C ZINC000613969232 565088368 /nfs/dbraw/zinc/08/83/68/565088368.db2.gz YHCKSENTQXMBSW-IKGGRYGDSA-N 1 0 396.329 2.720 20 0 GFADRO [NH3+]C1(CNC(=O)c2[nH]nc(C3CC3)c2Br)C2CC3CC(C2)CC1C3 ZINC000584589642 565089550 /nfs/dbraw/zinc/08/95/50/565089550.db2.gz GHAFYEXXSYYJCN-UHFFFAOYSA-N 1 0 393.329 2.933 20 0 GFADRO CCc1nnc(S[C@@H](C)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC000657272712 565094270 /nfs/dbraw/zinc/09/42/70/565094270.db2.gz MRXMTXNYDYBCGF-ZFWWWQNUSA-N 1 0 376.551 2.972 20 0 GFADRO CN(C(=O)CC1(C[NH3+])CCCCC1)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000584780267 565097060 /nfs/dbraw/zinc/09/70/60/565097060.db2.gz IHUCXRRSEFKUKM-MRXNPFEDSA-N 1 0 396.329 2.733 20 0 GFADRO O=C(Cc1ccc(I)cc1)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000584777724 565097386 /nfs/dbraw/zinc/09/73/86/565097386.db2.gz TUMKZHWGTCLCPA-INIZCTEOSA-N 1 0 398.288 2.824 20 0 GFADRO COc1cccc(C(=O)NCC[NH2+]Cc2cncc(Br)c2C)c1 ZINC000657333644 565097331 /nfs/dbraw/zinc/09/73/31/565097331.db2.gz RVOCAHZPXFOOGO-UHFFFAOYSA-N 1 0 378.270 2.681 20 0 GFADRO CCN(CC)S(=O)(=O)c1ccc(CC[NH2+]Cc2nccn2C(C)C)s1 ZINC000657347097 565098504 /nfs/dbraw/zinc/09/85/04/565098504.db2.gz SSPWWTCKOSCSHZ-UHFFFAOYSA-N 1 0 384.571 2.888 20 0 GFADRO Cc1ncsc1-c1ccc(C[NH2+]C[C@@H]2CCC[C@@H]2NS(C)(=O)=O)cc1 ZINC000657394882 565100390 /nfs/dbraw/zinc/10/03/90/565100390.db2.gz POELRACIBUWZSG-IRXDYDNUSA-N 1 0 379.551 2.926 20 0 GFADRO CC[NH+](CC)CCS(=O)(=O)N[C@H](C)Cc1ccccc1Br ZINC000584868117 565102035 /nfs/dbraw/zinc/10/20/35/565102035.db2.gz DBJMLTOJJWETER-CYBMUJFWSA-N 1 0 377.348 2.641 20 0 GFADRO CN1CCN([C@H](CNC(=O)c2ccc([O-])c(Cl)c2)c2cccs2)CC1 ZINC000614232004 565102590 /nfs/dbraw/zinc/10/25/90/565102590.db2.gz BOMVBWGGMQLSIV-OAHLLOKOSA-N 1 0 379.913 2.826 20 0 GFADRO Cc1c(Br)cccc1C[C@H](CO)C[NH2+]Cc1cnc2n1CCC2 ZINC000657484987 565103222 /nfs/dbraw/zinc/10/32/22/565103222.db2.gz HYJAFTKJAUVBKA-AWEZNQCLSA-N 1 0 378.314 2.841 20 0 GFADRO Cc1ccc(Cl)cc1S(=O)(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000585226661 565103896 /nfs/dbraw/zinc/10/38/96/565103896.db2.gz ITLHCUNIAYTNNR-UHFFFAOYSA-N 1 0 386.945 2.818 20 0 GFADRO COc1ccc(C[NH2+]CCC2(CS(C)(=O)=O)CC2)c(Br)c1 ZINC000657546920 565107223 /nfs/dbraw/zinc/10/72/23/565107223.db2.gz GLAQRXOLTFDWDR-UHFFFAOYSA-N 1 0 376.316 2.762 20 0 GFADRO CS(=O)(=O)CC1(CC[NH2+]Cc2cc(Br)cc3c2OCC3)CC1 ZINC000657547348 565107331 /nfs/dbraw/zinc/10/73/31/565107331.db2.gz FKDGUPTXJQLRTN-UHFFFAOYSA-N 1 0 388.327 2.689 20 0 GFADRO CCOc1cc(C[NH2+]C[C@H](OC)[C@@H]2CCOC2)cc(Br)c1OC ZINC000657543187 565107529 /nfs/dbraw/zinc/10/75/29/565107529.db2.gz LEBDIKXFGFDBID-CJNGLKHVSA-N 1 0 388.302 2.998 20 0 GFADRO CC[C@@H]1C[N@H+](C)CCCN1S(=O)(=O)Cc1ccc(OC(F)(F)F)cc1 ZINC000685510155 565109406 /nfs/dbraw/zinc/10/94/06/565109406.db2.gz QIASYNRETACLNH-CQSZACIVSA-N 1 0 380.432 2.831 20 0 GFADRO CO[C@@H]1CCC[C@H]([C@@H](CO)[NH2+]Cc2cnc3ccc(Br)cn23)C1 ZINC000657575896 565110641 /nfs/dbraw/zinc/11/06/41/565110641.db2.gz GEPVEBDFFCCHNL-APHBMKBZSA-N 1 0 382.302 2.753 20 0 GFADRO NS(=O)(=O)c1cc(NC(=O)c2cccc(C[NH+]3CCCCC3)c2)cs1 ZINC000636399913 565110749 /nfs/dbraw/zinc/11/07/49/565110749.db2.gz ASGBXNWOFFEDOF-UHFFFAOYSA-N 1 0 379.507 2.634 20 0 GFADRO C[C@@H]1CC[C@H]([NH2+]CC2=Cc3cc(Br)ccc3OC2)CS1(=O)=O ZINC000657637116 565115284 /nfs/dbraw/zinc/11/52/84/565115284.db2.gz JFMGCDFKXRINKR-ABAIWWIYSA-N 1 0 386.311 2.780 20 0 GFADRO C[C@@H]1CC[C@@H]([NH2+]C2CCN(Cc3c(F)cccc3Cl)CC2)CS1(=O)=O ZINC000657638969 565115452 /nfs/dbraw/zinc/11/54/52/565115452.db2.gz NZLAFZKYNQBEIJ-UKRRQHHQSA-N 1 0 388.936 2.999 20 0 GFADRO CNS(=O)(=O)Cc1ccc(C[NH2+][C@H](COC)c2cccc(Cl)c2)cc1 ZINC000685645305 565117444 /nfs/dbraw/zinc/11/74/44/565117444.db2.gz FRAOAKKAQURRSI-GOSISDBHSA-N 1 0 382.913 2.867 20 0 GFADRO CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N(C)Cc2ccc(Cl)c(Cl)c2)C1 ZINC000657699006 565120513 /nfs/dbraw/zinc/12/05/13/565120513.db2.gz YOPVOSDFJHDXBC-AWEZNQCLSA-N 1 0 386.323 2.941 20 0 GFADRO C[C@H](NC(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1)[C@@H](O)C(F)(F)F ZINC000636679177 565121103 /nfs/dbraw/zinc/12/11/03/565121103.db2.gz RIFMHIFFBCISEL-OUCADQQQSA-N 1 0 379.448 2.571 20 0 GFADRO CCN1CCN(C(=O)C2(c3cccc(Br)c3)CC(=O)C2)C[C@H]1C ZINC000685797634 565123843 /nfs/dbraw/zinc/12/38/43/565123843.db2.gz FTVOWORZKIQJQK-CYBMUJFWSA-N 1 0 379.298 2.602 20 0 GFADRO COc1ccc(C[NH2+]C[C@@H]2CC(=O)N(C(C)(C)C)C2)c(Br)c1O ZINC000657754400 565127194 /nfs/dbraw/zinc/12/71/94/565127194.db2.gz WCKJRWBJTIPYLE-NSHDSACASA-N 1 0 385.302 2.900 20 0 GFADRO CCCC[N@H+](C)C[C@@H](C)NC(=O)c1ccc(Cl)c(NS(C)(=O)=O)c1 ZINC000685888349 565129281 /nfs/dbraw/zinc/12/92/81/565129281.db2.gz GBFIMKYFRZAINF-GFCCVEGCSA-N 1 0 375.922 2.562 20 0 GFADRO CC(=O)N1CCN(CC[NH2+][C@@H](Cc2ccc(Br)cc2)C(C)C)CC1 ZINC000657837044 565132735 /nfs/dbraw/zinc/13/27/35/565132735.db2.gz XPWJJADTJLGJGU-IBGZPJMESA-N 1 0 396.373 2.770 20 0 GFADRO O=S(=O)(NC[C@@H]1CCCO1)c1ccc(C[NH2+][C@H]2CCCSCC2)cc1 ZINC000657856025 565133662 /nfs/dbraw/zinc/13/36/62/565133662.db2.gz JQPROBUJCOMSIJ-IRXDYDNUSA-N 1 0 384.567 2.519 20 0 GFADRO C[NH+](C)C1CCN(CCNC(=O)NCc2ccsc2C(F)(F)F)CC1 ZINC000636987537 565133672 /nfs/dbraw/zinc/13/36/72/565133672.db2.gz ORHFCTFIRSGDLB-UHFFFAOYSA-N 1 0 378.464 2.592 20 0 GFADRO C[C@@H](CNS(=O)(=O)c1cc2c(cc1Cl)OCCO2)[N@@H+]1CCCC[C@@H]1C ZINC000588678246 565136824 /nfs/dbraw/zinc/13/68/24/565136824.db2.gz NLVDTLXTSYPTQX-STQMWFEESA-N 1 0 388.917 2.652 20 0 GFADRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)C(=O)Nc1cccc(Br)c1F ZINC000657948518 565139228 /nfs/dbraw/zinc/13/92/28/565139228.db2.gz IJQYVRAGFDALRO-NWDGAFQWSA-N 1 0 398.276 2.612 20 0 GFADRO Cc1cc(N2CCC[C@H]([NH2+][C@H](C)Cn3cncn3)C2=O)ccc1Br ZINC000657977198 565141397 /nfs/dbraw/zinc/14/13/97/565141397.db2.gz WVCBOKYCCAECFQ-CJNGLKHVSA-N 1 0 392.301 2.523 20 0 GFADRO CSc1ccc(Cl)c(NC(=O)C(=O)N2CC[N@@H+](C3CC3)C[C@@H](C)C2)c1 ZINC000657977701 565141865 /nfs/dbraw/zinc/14/18/65/565141865.db2.gz ILASEHCKRAWMRV-GFCCVEGCSA-N 1 0 381.929 2.943 20 0 GFADRO CCC[N@H+](CC)C[C@@H](C)NC(=O)c1cc(Br)cc2[nH]c(=O)[nH]c21 ZINC000615064231 565143981 /nfs/dbraw/zinc/14/39/81/565143981.db2.gz VCDUVWXNLJNIKB-SNVBAGLBSA-N 1 0 383.290 2.881 20 0 GFADRO Cc1c(Br)cccc1NC(=O)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000588984392 565146593 /nfs/dbraw/zinc/14/65/93/565146593.db2.gz UBYQKWQXMQZCTK-UHFFFAOYSA-N 1 0 382.302 2.687 20 0 GFADRO CNC(=O)NC(=O)CC[N@@H+]1CCc2nc(-c3ccccc3Cl)sc2C1 ZINC000588973268 565146656 /nfs/dbraw/zinc/14/66/56/565146656.db2.gz DYMYXTVPVNYPGP-UHFFFAOYSA-N 1 0 378.885 2.667 20 0 GFADRO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H](Oc2cncc(Br)c2)C1 ZINC000615128179 565147452 /nfs/dbraw/zinc/14/74/52/565147452.db2.gz VPBGQHYLUSJJME-GOEBONIOSA-N 1 0 382.302 2.698 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)C(=O)Nc1cccc(Br)c1F ZINC000658126644 565152043 /nfs/dbraw/zinc/15/20/43/565152043.db2.gz GYNCPMLGGBFFFL-JTQLQIEISA-N 1 0 386.265 2.516 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)C(=O)Nc1ccc(Br)cc1F ZINC000658122279 565152067 /nfs/dbraw/zinc/15/20/67/565152067.db2.gz TUDJOQMRJKEXSG-NSHDSACASA-N 1 0 386.265 2.516 20 0 GFADRO Cc1ccncc1CC[NH2+][C@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000658124747 565152420 /nfs/dbraw/zinc/15/24/20/565152420.db2.gz TVLNJEGYXGUSHN-GFCCVEGCSA-N 1 0 398.326 2.693 20 0 GFADRO C[C@H](CC(=O)N1CC(C[NH+]2CCN(C)CC2)C1)c1ccc(Br)cc1 ZINC000615272431 565154046 /nfs/dbraw/zinc/15/40/46/565154046.db2.gz FHYQAQODMLOTQR-OAHLLOKOSA-N 1 0 394.357 2.649 20 0 GFADRO C[NH+](C)C[C@@H]1CCN(C(=O)NCc2ccc(Br)c(F)c2F)C1 ZINC000637421946 565155436 /nfs/dbraw/zinc/15/54/36/565155436.db2.gz CWMBDIWVRJSMHD-JTQLQIEISA-N 1 0 376.245 2.820 20 0 GFADRO O=S1(=O)CC[C@H]([NH2+][C@@H]2C[C@H](O)C23CCC3)c2cc(Br)ccc21 ZINC000658253989 565155692 /nfs/dbraw/zinc/15/56/92/565155692.db2.gz WZRTVEFNCYJJKH-CFVMTHIKSA-N 1 0 386.311 2.561 20 0 GFADRO C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1c(O)cnc2c(Br)cccc21 ZINC000615302411 565156330 /nfs/dbraw/zinc/15/63/30/565156330.db2.gz MGROWSKUXSMZRQ-GWCFXTLKSA-N 1 0 378.270 2.868 20 0 GFADRO CCn1c(SCC(=O)N2CC[C@H]([NH+](C)C)[C@H]2C)nnc1-c1cccs1 ZINC000615309918 565157596 /nfs/dbraw/zinc/15/75/96/565157596.db2.gz BPYWRMAOIXVXQG-OLZOCXBDSA-N 1 0 379.555 2.670 20 0 GFADRO C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1ccc(-n2cc(Br)cn2)cc1 ZINC000615314734 565157709 /nfs/dbraw/zinc/15/77/09/565157709.db2.gz VRGUAIPJURDUOI-LRDDRELGSA-N 1 0 377.286 2.799 20 0 GFADRO C[NH+](C)C[C@@H](NC(=O)N[C@H](CO)CC(F)F)c1ccc(Cl)c(Cl)c1 ZINC000637476147 565159401 /nfs/dbraw/zinc/15/94/01/565159401.db2.gz XXGKDGNCROOZFG-GXFFZTMASA-N 1 0 384.254 2.911 20 0 GFADRO CCCOc1ccc(Br)cc1S(=O)(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000658378187 565164636 /nfs/dbraw/zinc/16/46/36/565164636.db2.gz NSXOGZWDAIJEBU-YPMHNXCESA-N 1 0 391.331 2.514 20 0 GFADRO CCCOc1ccc(Br)cc1S(=O)(=O)N1CC[NH2+][C@H](C)[C@@H]1C ZINC000658378120 565164749 /nfs/dbraw/zinc/16/47/49/565164749.db2.gz LTZXSNXKJRXUTI-NEPJUHHUSA-N 1 0 391.331 2.609 20 0 GFADRO O=S(=O)(NCC12CC(C1)C[NH2+]2)c1ccc2ccccc2c1Br ZINC000658406618 565167800 /nfs/dbraw/zinc/16/78/00/565167800.db2.gz FFDZQEUGDMQQKM-UHFFFAOYSA-N 1 0 381.295 2.633 20 0 GFADRO O=S(=O)(Cc1ccc(OC(F)(F)F)cc1)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000658400568 565168292 /nfs/dbraw/zinc/16/82/92/565168292.db2.gz JOIVOVNRIWCREJ-CYBMUJFWSA-N 1 0 378.416 2.679 20 0 GFADRO CC(C)c1cc(Br)ccc1NC(=O)C(=O)NCC[C@@H](C)[NH+](C)C ZINC000658428380 565169201 /nfs/dbraw/zinc/16/92/01/565169201.db2.gz SEQFVEHNUWVGAG-GFCCVEGCSA-N 1 0 384.318 2.967 20 0 GFADRO O=C(NC[C@H]1CCC[NH2+]1)N1CCc2[nH]c3c(cccc3Br)c2C1 ZINC000637725966 565170984 /nfs/dbraw/zinc/17/09/84/565170984.db2.gz HYDAEAKRQHSIDM-LLVKDONJSA-N 1 0 377.286 2.750 20 0 GFADRO Cc1cccc(CC(=O)NCCC[NH2+]Cc2cccnc2)c1Br ZINC000637805834 565174423 /nfs/dbraw/zinc/17/44/23/565174423.db2.gz DOWNTPGIZBJRSQ-UHFFFAOYSA-N 1 0 376.298 2.991 20 0 GFADRO CCCC[N@H+](C)CC1CCN(Cc2ccc(Cl)c(S(N)(=O)=O)c2)CC1 ZINC000637904627 565175450 /nfs/dbraw/zinc/17/54/50/565175450.db2.gz FDFNLWDGCZWCAQ-UHFFFAOYSA-N 1 0 387.977 2.931 20 0 GFADRO CC(C)N(Cc1cc(Br)ccc1F)C(=O)c1cnc(C[NH3+])nc1 ZINC000637923338 565177319 /nfs/dbraw/zinc/17/73/19/565177319.db2.gz CETTWCMWBCNAEL-UHFFFAOYSA-N 1 0 381.249 2.888 20 0 GFADRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(=O)NCc1ccc(Cl)c(Cl)c1 ZINC000658625594 565178413 /nfs/dbraw/zinc/17/84/13/565178413.db2.gz BGHDPZQIZXSWJX-AWEZNQCLSA-N 1 0 386.323 2.942 20 0 GFADRO COc1ccc(Br)c(NC(=O)[C@@H](N)C[N@H+](C)Cc2ccccc2)c1 ZINC000637953551 565179290 /nfs/dbraw/zinc/17/92/90/565179290.db2.gz USZGSESRSNHEFR-INIZCTEOSA-N 1 0 392.297 2.856 20 0 GFADRO CCOC(=O)CCCNC(=O)C[NH2+][C@@H](C)c1ccc(F)c(Br)c1 ZINC000590192697 565179656 /nfs/dbraw/zinc/17/96/56/565179656.db2.gz FOGYVGISJSHDKV-NSHDSACASA-N 1 0 389.265 2.698 20 0 GFADRO O=C(NCCOc1cccc(Br)c1)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000615906491 565179911 /nfs/dbraw/zinc/17/99/11/565179911.db2.gz UHQLIQDDWTXJIQ-CVEARBPZSA-N 1 0 382.302 2.754 20 0 GFADRO CO[C@@]1(C[NH+]2CCC(C(=O)Nc3ccccc3Br)CC2)CCOC1 ZINC000638013401 565181815 /nfs/dbraw/zinc/18/18/15/565181815.db2.gz CFPODKXAEQXABF-GOSISDBHSA-N 1 0 397.313 2.905 20 0 GFADRO CC[C@H](C)[NH+]1CCN(C(=O)c2cc(Br)cc3c2OCCO3)CC1 ZINC000615983774 565183351 /nfs/dbraw/zinc/18/33/51/565183351.db2.gz DKJWQTKGNBCKOL-LBPRGKRZSA-N 1 0 383.286 2.777 20 0 GFADRO O=C(c1cc(Br)c2nccn2c1)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000638144182 565186566 /nfs/dbraw/zinc/18/65/66/565186566.db2.gz LTAOSZMCNONCIT-IUODEOHRSA-N 1 0 377.286 2.701 20 0 GFADRO CCSc1ccc(CC(=O)NC[C@H]2C[NH2+]CCCO2)c(Br)c1 ZINC000638267818 565189972 /nfs/dbraw/zinc/18/99/72/565189972.db2.gz VHJBKHOQLMZXBR-CYBMUJFWSA-N 1 0 387.343 2.598 20 0 GFADRO CC(C)[C@@H]([NH2+]Cc1ccc(S(N)(=O)=O)s1)c1ccc2c(c1)OCCO2 ZINC000638304560 565190942 /nfs/dbraw/zinc/19/09/42/565190942.db2.gz HOWTVQCKGPSWLG-QGZVFWFLSA-N 1 0 382.507 2.654 20 0 GFADRO COC[C@]1(C(=O)Nc2cc(OC)c(Br)c(OC)c2)CCCC[NH2+]1 ZINC000638297877 565191536 /nfs/dbraw/zinc/19/15/36/565191536.db2.gz CUTORXDSDQAXMB-INIZCTEOSA-N 1 0 387.274 2.564 20 0 GFADRO CCOc1ccc(CC[NH2+]Cc2ccc(S(N)(=O)=O)s2)cc1OCC ZINC000638298168 565191651 /nfs/dbraw/zinc/19/16/51/565191651.db2.gz QWONYICHHOLKCL-UHFFFAOYSA-N 1 0 384.523 2.525 20 0 GFADRO CC(C)[C@H]([NH2+]Cc1ccc(S(N)(=O)=O)s1)c1ccc2c(c1)OCCO2 ZINC000638304559 565191660 /nfs/dbraw/zinc/19/16/60/565191660.db2.gz HOWTVQCKGPSWLG-KRWDZBQOSA-N 1 0 382.507 2.654 20 0 GFADRO O=C(c1cc(Br)cc2nc[nH]c21)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000638327285 565192374 /nfs/dbraw/zinc/19/23/74/565192374.db2.gz CTOKHUFUPKBEMR-NHYWBVRUSA-N 1 0 377.286 2.930 20 0 GFADRO CC(C)CC[C@@H]([NH3+])C(=O)NCc1noc(-c2cccc(Br)c2)n1 ZINC000638324388 565192410 /nfs/dbraw/zinc/19/24/10/565192410.db2.gz PJSKYZWUWIJRBU-CYBMUJFWSA-N 1 0 381.274 2.879 20 0 GFADRO C[C@@H]1CC2(CN1C(=O)c1cc(Br)cc3nc[nH]c31)CC[NH2+]CC2 ZINC000638365803 565193448 /nfs/dbraw/zinc/19/34/48/565193448.db2.gz IBGWXBFPJZCFBS-LLVKDONJSA-N 1 0 377.286 2.930 20 0 GFADRO Cc1cc(C[NH3+])oc1C(=O)N1CCN(Cc2ccc(Br)cc2)CC1 ZINC000638377404 565194119 /nfs/dbraw/zinc/19/41/19/565194119.db2.gz STXLKMARFBSNOK-UHFFFAOYSA-N 1 0 392.297 2.767 20 0 GFADRO Cc1ccc([C@@H](C[NH2+]Cc2ccc(S(N)(=O)=O)s2)N2CCCC2)cc1 ZINC000638454953 565196663 /nfs/dbraw/zinc/19/66/63/565196663.db2.gz PRZQKCLTYOJZBA-QGZVFWFLSA-N 1 0 379.551 2.631 20 0 GFADRO C[NH2+]C[C@H](C)NC(=O)Nc1cccc(Oc2ncc(Br)cn2)c1 ZINC000659004374 565198438 /nfs/dbraw/zinc/19/84/38/565198438.db2.gz MEDSRLSGDKDUKH-JTQLQIEISA-N 1 0 380.246 2.761 20 0 GFADRO [NH3+]CC[C@@H](NC(=O)N1CCOc2cc(Br)ccc2C1)C(F)(F)F ZINC000659023760 565199043 /nfs/dbraw/zinc/19/90/43/565199043.db2.gz NNKBRMBSJPWKHM-GFCCVEGCSA-N 1 0 396.207 2.633 20 0 GFADRO COC1(C(=O)N[C@@H](C)c2cc(F)c(Br)cc2F)CC[NH2+]CC1 ZINC000638496166 565199302 /nfs/dbraw/zinc/19/93/02/565199302.db2.gz VLLQCSXNKLWFIC-VIFPVBQESA-N 1 0 377.229 2.673 20 0 GFADRO C[C@H](NC(=O)C[NH2+]C[C@H]1CCCO1)c1cc(F)c(Br)cc1F ZINC000638495119 565199463 /nfs/dbraw/zinc/19/94/63/565199463.db2.gz MCROASRZMDFVQX-VHSXEESVSA-N 1 0 377.229 2.673 20 0 GFADRO CC(C)[C@H]([NH3+])CCNC(=O)Nc1cc(Br)cnc1-n1cccn1 ZINC000659008376 565199730 /nfs/dbraw/zinc/19/97/30/565199730.db2.gz FEFAVLDUMFHMPM-GFCCVEGCSA-N 1 0 381.278 2.525 20 0 GFADRO COC(=O)[C@@H]1CCC[C@@H]1[NH2+]CC(=O)N[C@@H](C)c1ccc(Br)cc1 ZINC000590751238 565200473 /nfs/dbraw/zinc/20/04/73/565200473.db2.gz IRURWVVENYLGRH-GLQYFDAESA-N 1 0 383.286 2.558 20 0 GFADRO CN1CC[C@H]([NH2+]CCCS(C)(=O)=O)C[C@H]1c1ccc(Br)cc1 ZINC000638546588 565201364 /nfs/dbraw/zinc/20/13/64/565201364.db2.gz BYWXPAVGRBLSIT-HOTGVXAUSA-N 1 0 389.359 2.609 20 0 GFADRO CN1CC[C@H]([NH2+]CC2(O)CCOCC2)C[C@@H]1c1ccc(Br)cc1 ZINC000638541850 565201461 /nfs/dbraw/zinc/20/14/61/565201461.db2.gz YGYIEKRTJPIECS-DLBZAZTESA-N 1 0 383.330 2.716 20 0 GFADRO CSc1cc(Cl)ccc1NC(=O)C(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000659087463 565201698 /nfs/dbraw/zinc/20/16/98/565201698.db2.gz RXKZETMFJOSESH-OLZOCXBDSA-N 1 0 381.929 2.849 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)Cc2cccc(Br)c2)CC[C@H]1C(F)(F)F ZINC000638554634 565201710 /nfs/dbraw/zinc/20/17/10/565201710.db2.gz WOUKKKPSJFBWIW-DGCLKSJQSA-N 1 0 379.220 2.977 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)[C@@H]2COc3ccc(Cl)cc3C2)CC[C@H]1C(F)(F)F ZINC000638554526 565201750 /nfs/dbraw/zinc/20/17/50/565201750.db2.gz XQFCRCPCHXJZST-OUCADQQQSA-N 1 0 376.806 2.877 20 0 GFADRO CC(C)(CCC[NH3+])NC(=O)C(=O)N1CC(C)(C)c2ccc(Br)cc21 ZINC000659087378 565201816 /nfs/dbraw/zinc/20/18/16/565201816.db2.gz QZNRYBRLLFQJPO-UHFFFAOYSA-N 1 0 396.329 2.707 20 0 GFADRO [NH3+]C1(CNC(=O)c2ccc(Br)cc2C(F)(F)F)CCOCC1 ZINC000638542116 565202033 /nfs/dbraw/zinc/20/20/33/565202033.db2.gz ZOKHADNMBMNOJE-UHFFFAOYSA-N 1 0 381.192 2.706 20 0 GFADRO O=C(NCc1ccc(Br)c(F)c1F)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000638599894 565204108 /nfs/dbraw/zinc/20/41/08/565204108.db2.gz POTPSEFUFMLUMZ-LBPRGKRZSA-N 1 0 399.239 2.778 20 0 GFADRO C[C@H](CS(C)(=O)=O)[NH2+][C@@H]1CCN(C)[C@H](c2ccc(Br)cc2)C1 ZINC000638590807 565204450 /nfs/dbraw/zinc/20/44/50/565204450.db2.gz RHRHVXHXPRCDBI-WQVCFCJDSA-N 1 0 389.359 2.607 20 0 GFADRO O=C(C[C@H]1C[NH2+]CCO1)N[C@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC000638597306 565204745 /nfs/dbraw/zinc/20/47/45/565204745.db2.gz XINSBHSHAOBVGY-LRDDRELGSA-N 1 0 392.297 2.803 20 0 GFADRO Cc1cc(Br)ccc1[C@@H]1CCCN1C(=O)c1cnc(C[NH3+])nc1 ZINC000638685717 565206603 /nfs/dbraw/zinc/20/66/03/565206603.db2.gz FGPDVBBPFSZZSP-HNNXBMFYSA-N 1 0 375.270 2.984 20 0 GFADRO Cc1cc(Br)ccc1[C@@H]1CCCN1C(=O)c1cn(CCC[NH3+])nn1 ZINC000638690317 565207119 /nfs/dbraw/zinc/20/71/19/565207119.db2.gz VJEJSMATCGWPMA-INIZCTEOSA-N 1 0 392.301 2.675 20 0 GFADRO COc1cc(C[NH2+][C@@H]2CCN(S(=O)(=O)C(C)C)C[C@@H]2C)c(Cl)cc1O ZINC000638691720 565207310 /nfs/dbraw/zinc/20/73/10/565207310.db2.gz JGZGSDBAQXUVNZ-SWLSCSKDSA-N 1 0 390.933 2.592 20 0 GFADRO C[C@H](NC(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)c1ccc(Br)cc1 ZINC000590845287 565207691 /nfs/dbraw/zinc/20/76/91/565207691.db2.gz DSBVARCVVVSPRP-JQFCIGGWSA-N 1 0 396.329 2.751 20 0 GFADRO CC1(C)C[NH2+]CCN1C(=O)Cc1ccc(Br)c(Br)c1 ZINC000659292336 565209913 /nfs/dbraw/zinc/20/99/13/565209913.db2.gz AQTROBBNIXFNQB-UHFFFAOYSA-N 1 0 390.119 2.965 20 0 GFADRO O=C(Cc1cccc(Br)c1)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000638776338 565210330 /nfs/dbraw/zinc/21/03/30/565210330.db2.gz BFALZHIKSKXLRZ-KRWDZBQOSA-N 1 0 381.314 2.609 20 0 GFADRO O=C(CCc1ccccc1Br)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000638778913 565210636 /nfs/dbraw/zinc/21/06/36/565210636.db2.gz OPMXHKILUWZNRD-KRWDZBQOSA-N 1 0 395.341 2.999 20 0 GFADRO Nc1c(Cl)cc(Cl)cc1C[NH2+]C[C@H](O)CS(=O)(=O)c1cccs1 ZINC000638772940 565210825 /nfs/dbraw/zinc/21/08/25/565210825.db2.gz BTXQQHOXSRNERX-NSHDSACASA-N 1 0 395.333 2.562 20 0 GFADRO [NH3+]C[C@H](NC(=O)Cc1ccc(Br)c(Br)c1)C1CC1 ZINC000659290103 565210923 /nfs/dbraw/zinc/21/09/23/565210923.db2.gz ILFULCNOLDEZFM-LBPRGKRZSA-N 1 0 376.092 2.608 20 0 GFADRO O=C(Cc1cc(F)ccc1Br)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000638790694 565211381 /nfs/dbraw/zinc/21/13/81/565211381.db2.gz LZFASYUSVCRZRI-MRXNPFEDSA-N 1 0 399.304 2.748 20 0 GFADRO CC[C@](C)(COc1ncccc1Cl)[NH2+]Cc1ccc(S(N)(=O)=O)s1 ZINC000638782398 565211705 /nfs/dbraw/zinc/21/17/05/565211705.db2.gz UFVGGVSMMMDHIW-OAHLLOKOSA-N 1 0 389.930 2.781 20 0 GFADRO CC[C@H]([NH2+]CCC(=O)NCCC(=O)OC)c1cc(F)cc(Br)c1 ZINC000591030149 565212678 /nfs/dbraw/zinc/21/26/78/565212678.db2.gz IHDHHGKTHJDKSJ-AWEZNQCLSA-N 1 0 389.265 2.698 20 0 GFADRO [NH3+][C@@H](CC(F)F)C(=O)N1CC2(CCOCC2)c2ccc(Br)cc21 ZINC000638840486 565214325 /nfs/dbraw/zinc/21/43/25/565214325.db2.gz CQXMTDKCPDVGQD-LBPRGKRZSA-N 1 0 389.240 2.826 20 0 GFADRO O=C([C@@H]1CCCC[NH2+]1)N1CC2(CCOCC2)c2ccc(Br)cc21 ZINC000638842696 565214363 /nfs/dbraw/zinc/21/43/63/565214363.db2.gz YRGUGPQTQICREB-HNNXBMFYSA-N 1 0 379.298 2.986 20 0 GFADRO O=C(N[C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000638832645 565214455 /nfs/dbraw/zinc/21/44/55/565214455.db2.gz SIEKCLMUJBOXGC-FPHDVWFLSA-N 1 0 375.310 2.839 20 0 GFADRO O=C(c1cn(C2CC[NH2+]CC2)nn1)N1CCc2ccc(Cl)c(Cl)c2C1 ZINC000659338532 565214600 /nfs/dbraw/zinc/21/46/00/565214600.db2.gz SXBWXQVVQZDTOV-UHFFFAOYSA-N 1 0 380.279 2.708 20 0 GFADRO CC(C)(C)n1cc(Br)c(C(=O)NCc2cccc3c2CC[NH2+]C3)n1 ZINC000638845986 565215404 /nfs/dbraw/zinc/21/54/04/565215404.db2.gz LNTOCKOVKJXFIO-UHFFFAOYSA-N 1 0 391.313 2.976 20 0 GFADRO Cc1ccc2c(Cl)c(C(=O)N3CCN(C(=O)C[NH+](C)C)CC3)sc2c1 ZINC000591129771 565217642 /nfs/dbraw/zinc/21/76/42/565217642.db2.gz GGCLFHUBBQNNGW-UHFFFAOYSA-N 1 0 379.913 2.709 20 0 GFADRO CN(CC(C)(C)[NH3+])C(=O)NCC1(c2cccc(Br)c2)CCOCC1 ZINC000659440259 565217744 /nfs/dbraw/zinc/21/77/44/565217744.db2.gz MNWPEWNYQKNDMB-UHFFFAOYSA-N 1 0 398.345 2.876 20 0 GFADRO O=C(c1cc(Cl)ccc1Cl)N1CCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638921829 565218214 /nfs/dbraw/zinc/21/82/14/565218214.db2.gz SZWKMCFLOHGHCD-DVOMOZLQSA-N 1 0 382.291 2.561 20 0 GFADRO C[NH2+]C[C@H](C)NC(=O)NCCOc1ccc(Br)cc1C(F)(F)F ZINC000659475496 565218249 /nfs/dbraw/zinc/21/82/49/565218249.db2.gz OQELYWAVYFAZAJ-VIFPVBQESA-N 1 0 398.223 2.754 20 0 GFADRO Cn1c(SCC(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)nnc1-c1cccs1 ZINC000617014430 565219307 /nfs/dbraw/zinc/21/93/07/565219307.db2.gz JGDCODKTNZMDRS-LBPRGKRZSA-N 1 0 379.555 2.625 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)c2cn3ccc(Br)cc3n2)C1 ZINC000617003141 565219655 /nfs/dbraw/zinc/21/96/55/565219655.db2.gz VXZBUKIQXZFONH-GFCCVEGCSA-N 1 0 379.302 2.947 20 0 GFADRO O=C(Nc1cc(N2CC[NH2+]CC2)ccn1)c1ccc(Br)c(F)c1F ZINC000638983209 565220071 /nfs/dbraw/zinc/22/00/71/565220071.db2.gz CLKNJBQSJDYOHC-UHFFFAOYSA-N 1 0 397.223 2.784 20 0 GFADRO C[C@@H]([NH2+]C[C@@H]1CCCNC1=O)c1ccc(F)c(I)c1 ZINC000591244724 565220163 /nfs/dbraw/zinc/22/01/63/565220163.db2.gz DLAJWTFYVBLUAJ-KOLCDFICSA-N 1 0 376.213 2.607 20 0 GFADRO O=C(N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)N1CCc2sc(Br)cc2C1 ZINC000659557571 565220352 /nfs/dbraw/zinc/22/03/52/565220352.db2.gz SBEWOOZBXZOEBI-NQBHXWOUSA-N 1 0 384.343 2.966 20 0 GFADRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N1CCOC[C@@H]1c1ccc(Br)cc1 ZINC000659538461 565220381 /nfs/dbraw/zinc/22/03/81/565220381.db2.gz OCNILPFKXJRSIB-UHOFOFEASA-N 1 0 382.302 2.530 20 0 GFADRO C[C@@H](CNC(=O)[C@@H]([NH3+])c1cccc(Cl)c1)c1ccc(S(C)(=O)=O)cc1 ZINC000639017978 565220883 /nfs/dbraw/zinc/22/08/83/565220883.db2.gz RMAUBMUNZMFHTB-SJCJKPOMSA-N 1 0 380.897 2.663 20 0 GFADRO CC[C@H](Cc1ccc(Br)cc1)NC(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000659624501 565221193 /nfs/dbraw/zinc/22/11/93/565221193.db2.gz OEJPGUDXEMWKSJ-CVEARBPZSA-N 1 0 384.318 2.529 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)N[C@H]2CCCCc3cc(Br)ccc32)CCO1 ZINC000659627781 565221286 /nfs/dbraw/zinc/22/12/86/565221286.db2.gz ITVDSFCWTNAQST-ZBFHGGJFSA-N 1 0 382.302 2.586 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CN(C(=O)NCC2(Cc3ccc(Br)cc3)CC2)CCO1 ZINC000659599994 565221413 /nfs/dbraw/zinc/22/14/13/565221413.db2.gz STHUYERJUVMERO-BBRMVZONSA-N 1 0 396.329 2.529 20 0 GFADRO COC(=O)c1cc(NC(=O)N[C@@H]2CC[NH2+][C@H](C)C2)c(Br)cc1F ZINC000591287329 565221831 /nfs/dbraw/zinc/22/18/31/565221831.db2.gz OABADYCTQFTAIT-RKDXNWHRSA-N 1 0 388.237 2.637 20 0 GFADRO O=C(Nc1ccc(F)cc1I)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000591288436 565221962 /nfs/dbraw/zinc/22/19/62/565221962.db2.gz RHGCYQWZVYZNDX-NOZJJQNGSA-N 1 0 389.212 2.646 20 0 GFADRO COC(=O)c1cc(NC(=O)N[C@H]2CC[C@@H](C[NH3+])C2)c(Br)cc1F ZINC000591287304 565222018 /nfs/dbraw/zinc/22/20/18/565222018.db2.gz LGUOMWHQSBUQCW-BDAKNGLRSA-N 1 0 388.237 2.624 20 0 GFADRO COC(=O)c1cc(NC(=O)N2CC[C@](C)(C[NH3+])C2)c(Br)cc1F ZINC000591287342 565222032 /nfs/dbraw/zinc/22/20/32/565222032.db2.gz PEWOKUZCWGWKEP-OAHLLOKOSA-N 1 0 388.237 2.577 20 0 GFADRO CCCNC(=O)C1([NH2+]Cc2cnn3cc(Br)cnc23)CCCCC1 ZINC000639048416 565222130 /nfs/dbraw/zinc/22/21/30/565222130.db2.gz XRYFBQLROWSQSA-UHFFFAOYSA-N 1 0 394.317 2.811 20 0 GFADRO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N1CCC[C@@H]1c1cccc(Br)c1 ZINC000659745069 565222528 /nfs/dbraw/zinc/22/25/28/565222528.db2.gz VLBIVBFXGWNECI-HZPDHXFCSA-N 1 0 396.329 2.602 20 0 GFADRO COC(=O)c1cc(Br)c(F)cc1NC(=O)N[C@H]1CCC[NH2+]CC1 ZINC000591297903 565222712 /nfs/dbraw/zinc/22/27/12/565222712.db2.gz RZJXXFSZERPNHN-VIFPVBQESA-N 1 0 388.237 2.638 20 0 GFADRO CO[C@@H](C[NH2+]CCc1cn2cc(Br)cc(C)c2n1)C1CCOCC1 ZINC000639063495 565222769 /nfs/dbraw/zinc/22/27/69/565222769.db2.gz WWPPDEASIFQIGB-KRWDZBQOSA-N 1 0 396.329 2.979 20 0 GFADRO COCCN(CC[NH+](C)C)C(=O)Cc1c(C)[nH]c2ccc(Br)cc21 ZINC000591302088 565222934 /nfs/dbraw/zinc/22/29/34/565222934.db2.gz FFHOPCCGDLNXJL-UHFFFAOYSA-N 1 0 396.329 2.818 20 0 GFADRO O=C(Nc1cccc(F)c1I)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000591293982 565222991 /nfs/dbraw/zinc/22/29/91/565222991.db2.gz ICCSYOVFEDREAR-CABZTGNLSA-N 1 0 389.212 2.646 20 0 GFADRO C[N@H+](CCNC(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1)C1CCCC1 ZINC000591320887 565224082 /nfs/dbraw/zinc/22/40/82/565224082.db2.gz XAFLLKKHQJPDIZ-UHFFFAOYSA-N 1 0 384.929 2.637 20 0 GFADRO COC(=O)c1cc(NC(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)c(C)cc1Br ZINC000591306868 565224106 /nfs/dbraw/zinc/22/41/06/565224106.db2.gz SXSAIZFJSKNQDJ-XHDPSFHLSA-N 1 0 396.285 2.760 20 0 GFADRO C[C@@H]([NH2+][C@@H]1CCNC(=O)CC1)c1nc(-c2ccc(Br)cc2)no1 ZINC000639099970 565224320 /nfs/dbraw/zinc/22/43/20/565224320.db2.gz PVVDIZMDMSWGOA-MFKMUULPSA-N 1 0 379.258 2.818 20 0 GFADRO CC(C)[NH2+]CCCNC(=O)NCCc1ccc(I)s1 ZINC000591359336 565226830 /nfs/dbraw/zinc/22/68/30/565226830.db2.gz UTNBPPMNXLJBQX-UHFFFAOYSA-N 1 0 395.310 2.583 20 0 GFADRO CN1CC[C@H]([NH2+]C[C@H](CO)[C@@H]2CCOC2)C[C@@H]1c1ccc(Br)cc1 ZINC000639129140 565227452 /nfs/dbraw/zinc/22/74/52/565227452.db2.gz QFZOLQXVKPVBLR-ZAWLATJESA-N 1 0 397.357 2.819 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H]2CN(c3ncnc4ccc(I)cc43)C[C@H]21 ZINC000591434890 565229519 /nfs/dbraw/zinc/22/95/19/565229519.db2.gz KDZFTQIDDFYJLN-LERXQTSPSA-N 1 0 394.260 2.798 20 0 GFADRO C[N@@H+]1CC[C@H](C(=O)N2CCC(C(=O)Nc3cccc(Br)c3)CC2)C1 ZINC000591452827 565230834 /nfs/dbraw/zinc/23/08/34/565230834.db2.gz SGWCUEGYNAUURQ-AWEZNQCLSA-N 1 0 394.313 2.578 20 0 GFADRO COc1ncc(Br)cc1C[NH2+][C@H]([C@@H]1CCCO1)C1(CO)CCC1 ZINC000639193437 565231777 /nfs/dbraw/zinc/23/17/77/565231777.db2.gz MYOOGIMVXJUZAA-LSDHHAIUSA-N 1 0 385.302 2.653 20 0 GFADRO Cn1ncnc1CN(Cc1ccccc1Br)C1CC[NH+](C)CC1 ZINC000639189621 565231847 /nfs/dbraw/zinc/23/18/47/565231847.db2.gz QITHEBLTNPAAMH-UHFFFAOYSA-N 1 0 378.318 2.674 20 0 GFADRO CCn1ccnc1[C@@H](NC[C@@H](C)[NH3+])c1ccc(I)cc1 ZINC000591581396 565234366 /nfs/dbraw/zinc/23/43/66/565234366.db2.gz UMXKAXSAJHDWAN-RISCZKNCSA-N 1 0 384.265 2.534 20 0 GFADRO COc1ccc(C[C@@H](CO)C[NH2+]C2CC(n3cccn3)C2)cc1Br ZINC000639242297 565235342 /nfs/dbraw/zinc/23/53/42/565235342.db2.gz DNTZZJBJCVZIMQ-QQFBHYJXSA-N 1 0 394.313 2.799 20 0 GFADRO CC1(C)C[NH2+]CCN1C(=O)c1ccc(Cl)c(I)c1 ZINC000591678525 565236293 /nfs/dbraw/zinc/23/62/93/565236293.db2.gz WEPQBRNWCBIZLL-UHFFFAOYSA-N 1 0 378.641 2.769 20 0 GFADRO CO[C@H](C[NH2+]CC(=O)Nc1ccc(Br)c(C)c1)C1CCOCC1 ZINC000639274878 565237042 /nfs/dbraw/zinc/23/70/42/565237042.db2.gz LJNWVRWNXMPLBY-MRXNPFEDSA-N 1 0 385.302 2.727 20 0 GFADRO C[NH+](C)C[C@H]1CCCCN1S(=O)(=O)c1cccc(Br)c1F ZINC000660008601 565237670 /nfs/dbraw/zinc/23/76/70/565237670.db2.gz DADYKJGFTABPMG-LLVKDONJSA-N 1 0 379.295 2.693 20 0 GFADRO Cn1cnc(CCC[NH2+][C@H]2CCN(C)[C@@H](c3ccc(Br)cc3)C2)n1 ZINC000639299252 565237758 /nfs/dbraw/zinc/23/77/58/565237758.db2.gz RVKKVYKSGGDTBF-DLBZAZTESA-N 1 0 392.345 2.935 20 0 GFADRO C[NH+](C)C[C@@H]1CCCCN1S(=O)(=O)c1ccc(F)c(Br)c1 ZINC000660008646 565237987 /nfs/dbraw/zinc/23/79/87/565237987.db2.gz FEJNMRDQMMZHKA-NSHDSACASA-N 1 0 379.295 2.693 20 0 GFADRO Brc1ccc2oc(CNC3CC[NH+]([C@H]4CCOC4)CC3)nc2c1 ZINC000639328482 565238550 /nfs/dbraw/zinc/23/85/50/565238550.db2.gz RMTCGEWYALOCRV-AWEZNQCLSA-N 1 0 380.286 2.933 20 0 GFADRO Cc1cc([C@H]2CC[N@H+](Cc3ccc(S(N)(=O)=O)cc3)C2)c(O)cc1Cl ZINC000639324185 565239292 /nfs/dbraw/zinc/23/92/92/565239292.db2.gz FJLWQBDGBVKPCL-AWEZNQCLSA-N 1 0 380.897 2.991 20 0 GFADRO CO[C@@H](C[NH+]1CCN(Cc2ccc(Br)cc2)CC1)[C@@H]1CCOC1 ZINC000660011907 565239437 /nfs/dbraw/zinc/23/94/37/565239437.db2.gz ZYAINGMFPGAPKD-AEFFLSMTSA-N 1 0 383.330 2.618 20 0 GFADRO C[C@H](c1ccccc1)[C@H](O)C[NH2+]Cc1cnn2cc(Br)cnc12 ZINC000639328412 565239793 /nfs/dbraw/zinc/23/97/93/565239793.db2.gz WSPQLFMHNFGJDD-MLGOLLRUSA-N 1 0 375.270 2.746 20 0 GFADRO COC[C@H](C[NH+]1CCC(C(=O)Nc2ccc(Br)cc2)CC1)OC ZINC000660049204 565243173 /nfs/dbraw/zinc/24/31/73/565243173.db2.gz PNTXBTVNPKXAMS-INIZCTEOSA-N 1 0 385.302 2.761 20 0 GFADRO CCCC[N@H+](CC[C@@H]1Sc2ccccc2NC1=O)[C@@H]1CCS(=O)(=O)C1 ZINC000660070418 565247770 /nfs/dbraw/zinc/24/77/70/565247770.db2.gz QBNYBPJTVGLUDI-PBHICJAKSA-N 1 0 382.551 2.779 20 0 GFADRO CC(=O)N1CC[C@@H](C[N@H+](C)C[C@@H](O)COc2cc(Cl)cc(Cl)c2)C1 ZINC000639548286 565249215 /nfs/dbraw/zinc/24/92/15/565249215.db2.gz YZILYCRDHLEBPW-XJKSGUPXSA-N 1 0 375.296 2.533 20 0 GFADRO C[C@](O)(C[C@@H](O)C[NH2+]C1(c2ccc(Br)cc2)CCOCC1)C1CC1 ZINC000639522804 565249550 /nfs/dbraw/zinc/24/95/50/565249550.db2.gz PQOHDTDSKFERIG-MSOLQXFVSA-N 1 0 398.341 2.956 20 0 GFADRO COc1ccc(Br)cc1C1([NH2+]C[C@@H](O)C[C@@](C)(O)C2CC2)CC1 ZINC000639692028 565255039 /nfs/dbraw/zinc/25/50/39/565255039.db2.gz AUOYTMXLDOKIPK-WMLDXEAASA-N 1 0 384.314 2.948 20 0 GFADRO O=C(C[N@@H+]1CC[C@@H]([C@@H]2CCOC2)C1)c1c[nH]c2ncc(Br)cc12 ZINC000660119690 565255160 /nfs/dbraw/zinc/25/51/60/565255160.db2.gz USPXPCMJVAEDDP-VXGBXAGGSA-N 1 0 378.270 2.867 20 0 GFADRO CN(CCC[NH+](C)C)CCNC(=O)c1cc2c(cc(Br)cc2F)[nH]1 ZINC000617768239 565258156 /nfs/dbraw/zinc/25/81/56/565258156.db2.gz VLHWRSGSYWSYCL-UHFFFAOYSA-N 1 0 399.308 2.683 20 0 GFADRO Cc1cccc(S(=O)(=O)N2CC3(CCCC3)OC[C@@H]2C[NH+](C)C)c1Cl ZINC000660149115 565259573 /nfs/dbraw/zinc/25/95/73/565259573.db2.gz AHSNXGOCMPUZEQ-HNNXBMFYSA-N 1 0 386.945 2.912 20 0 GFADRO O=S(=O)(NCC1CC[NH+](CC2CC2)CC1)c1ncccc1C(F)(F)F ZINC000660151019 565260674 /nfs/dbraw/zinc/26/06/74/565260674.db2.gz XCPUMRDSIVMLKQ-UHFFFAOYSA-N 1 0 377.432 2.501 20 0 GFADRO C[NH+](C)CCC[C@H]1CN(S(=O)(=O)c2ccc(Cl)cc2Cl)CCO1 ZINC000660158153 565261993 /nfs/dbraw/zinc/26/19/93/565261993.db2.gz UFWLCKDJTFAQJC-ZDUSSCGKSA-N 1 0 381.325 2.725 20 0 GFADRO C[C@@H]1C[C@@H](c2ccc(Br)cc2)C[N@@H+]1C[C@@H](O)CC1(O)CCOCC1 ZINC000639893255 565265590 /nfs/dbraw/zinc/26/55/90/565265590.db2.gz FGXHFPQHQABREI-KYJSFNMBSA-N 1 0 398.341 2.919 20 0 GFADRO COC(=O)CN(CCc1ccc(Cl)cc1Cl)C(=O)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000592271538 565265757 /nfs/dbraw/zinc/26/57/57/565265757.db2.gz AUPQVKNCYAKAME-KSSFIOAISA-N 1 0 385.291 2.537 20 0 GFADRO COC(=O)CN(CCc1ccc(Cl)cc1Cl)C(=O)CC[C@H]1CC[NH2+]C1 ZINC000592272704 565265771 /nfs/dbraw/zinc/26/57/71/565265771.db2.gz VTCXTTGKWUABDZ-ZDUSSCGKSA-N 1 0 387.307 2.927 20 0 GFADRO COC(=O)CN(CCc1ccc(Cl)cc1Cl)C(=O)CC[C@@H]1CC[NH2+]C1 ZINC000592272703 565265848 /nfs/dbraw/zinc/26/58/48/565265848.db2.gz VTCXTTGKWUABDZ-CYBMUJFWSA-N 1 0 387.307 2.927 20 0 GFADRO COC[C@](C)(CO)[NH2+]CCCC(=O)Nc1c(C)cc(Br)cc1C ZINC000639956388 565268678 /nfs/dbraw/zinc/26/86/78/565268678.db2.gz DMVKIEXRCJZGNW-KRWDZBQOSA-N 1 0 387.318 2.772 20 0 GFADRO C[C@@H](NC(=O)N(C)Cc1c[nH]cn1)c1cc2c(cc1Br)OCCO2 ZINC000660364510 565272629 /nfs/dbraw/zinc/27/26/29/565272629.db2.gz FYTGPFNJWHVIBX-SNVBAGLBSA-N 1 0 395.257 2.846 20 0 GFADRO O=C(CCOc1ccc(Cl)c(Cl)c1)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000592403693 565273556 /nfs/dbraw/zinc/27/35/56/565273556.db2.gz FOECJXRVMQCEEC-SJORKVTESA-N 1 0 387.307 2.820 20 0 GFADRO C[C@H](OC[C@@H](O)C[N@@H+]1C[C@@H](CO)[C@H](C(F)(F)F)C1)c1ccc(Cl)cc1 ZINC000640041297 565276060 /nfs/dbraw/zinc/27/60/60/565276060.db2.gz UPVAXOOSXRQSOQ-DLKVLKDVSA-N 1 0 381.822 2.881 20 0 GFADRO CN(CC1C[NH+](C)C1)C(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 ZINC000618195426 565279774 /nfs/dbraw/zinc/27/97/74/565279774.db2.gz IHGWSMSFLFSZRG-INIZCTEOSA-N 1 0 384.307 2.618 20 0 GFADRO [NH3+]C[C@@H]1CCCn2ncc(C(=O)N3CCc4cccc(Br)c4C3)c21 ZINC000592535740 565280890 /nfs/dbraw/zinc/28/08/90/565280890.db2.gz MMUFQQQDTKVRQE-ZDUSSCGKSA-N 1 0 389.297 2.680 20 0 GFADRO [NH3+]C[C@@H]1CCCn2ncc(C(=O)N[C@@H]3CCc4c3cccc4Br)c21 ZINC000592525736 565281080 /nfs/dbraw/zinc/28/10/80/565281080.db2.gz RTJABAYZSXPVEI-MEDUHNTESA-N 1 0 389.297 2.899 20 0 GFADRO COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)CCCc1cc(Cl)sc1Cl ZINC000592554136 565282468 /nfs/dbraw/zinc/28/24/68/565282468.db2.gz MJDHXVRITWJJNC-NSHDSACASA-N 1 0 379.309 2.741 20 0 GFADRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)N1CCOc2cc(Br)ccc2C1 ZINC000660571650 565283855 /nfs/dbraw/zinc/28/38/55/565283855.db2.gz ONQUVAPEBSDJNG-JKSUJKDBSA-N 1 0 394.313 2.980 20 0 GFADRO COc1cc(Br)ccc1CCC[NH+]1CCC(c2nc(N)n[nH]2)CC1 ZINC000660567950 565284022 /nfs/dbraw/zinc/28/40/22/565284022.db2.gz RVSKXZQFFCIOFK-UHFFFAOYSA-N 1 0 394.317 2.970 20 0 GFADRO CN1CC(=O)N(CC[NH2+][C@@H]2c3cccc(Br)c3CC2(C)C)C1=O ZINC000660612505 565285591 /nfs/dbraw/zinc/28/55/91/565285591.db2.gz CVTFYIDKCKUBIQ-OAHLLOKOSA-N 1 0 380.286 2.556 20 0 GFADRO COC[C@H](C[NH2+]C1(Cc2ccc(F)cc2Br)CCOCC1)OC ZINC000660632437 565287045 /nfs/dbraw/zinc/28/70/45/565287045.db2.gz NRJPMYHHAJKEHA-HNNXBMFYSA-N 1 0 390.293 2.931 20 0 GFADRO CCN1CC[C@H]([NH2+]C2(Cc3ccc(F)cc3Br)CCOCC2)C1=O ZINC000660633274 565287092 /nfs/dbraw/zinc/28/70/92/565287092.db2.gz UYMOAFOUDZQJMK-INIZCTEOSA-N 1 0 399.304 2.890 20 0 GFADRO C[N@@H+]1CC[C@@]2(C1)CCCN([C@@H](C(N)=O)c1ccc(Br)cc1F)C2 ZINC000660656936 565288204 /nfs/dbraw/zinc/28/82/04/565288204.db2.gz BWFQYCNZIIFMIZ-NVXWUHKLSA-N 1 0 384.293 2.532 20 0 GFADRO O=C(N[C@H]1CC[N@H+](CC2CC2)C1)N1CCOc2cc(Br)ccc2C1 ZINC000660703040 565289549 /nfs/dbraw/zinc/28/95/49/565289549.db2.gz NPKKZDVMOQGYDT-INIZCTEOSA-N 1 0 394.313 2.837 20 0 GFADRO COCC[N@@H+]1CC[C@H](NC(=O)N2CC[C@H]2c2ccc(Br)cc2)C1 ZINC000660705592 565289604 /nfs/dbraw/zinc/28/96/04/565289604.db2.gz HMNFWTDLASHZGU-HOTGVXAUSA-N 1 0 382.302 2.626 20 0 GFADRO COCCC[N@H+](C)CCNC(=O)NCc1sc(C)cc1Br ZINC000660741012 565291501 /nfs/dbraw/zinc/29/15/01/565291501.db2.gz XDIWWSMVIRHSNE-UHFFFAOYSA-N 1 0 378.336 2.587 20 0 GFADRO O=C(C[N@H+]1C[C@@H]2CC[C@@H](O)C[C@H]2C1)c1c[nH]c2ncc(Br)cc12 ZINC000660810176 565294908 /nfs/dbraw/zinc/29/49/08/565294908.db2.gz ZTALGPDPVAPBOM-GMXVVIOVSA-N 1 0 378.270 2.601 20 0 GFADRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)N1CCOc2cc(Br)ccc2C1 ZINC000660827598 565295772 /nfs/dbraw/zinc/29/57/72/565295772.db2.gz QOIWLJQOZPBHFN-ZDUSSCGKSA-N 1 0 394.313 2.837 20 0 GFADRO C[NH+](C)[C@]1(CNC(=O)NC[C@@H](OC2CCCC2)C(F)(F)F)CCSC1 ZINC000660823725 565295910 /nfs/dbraw/zinc/29/59/10/565295910.db2.gz HYRBHLOAZXBRSY-HIFRSBDPSA-N 1 0 383.480 2.613 20 0 GFADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)c1csc(-c2ccc(Cl)s2)n1 ZINC000592793788 565296217 /nfs/dbraw/zinc/29/62/17/565296217.db2.gz KQCBFTIXBSBTBD-NSHDSACASA-N 1 0 384.958 2.891 20 0 GFADRO Cn1cc(Br)c(NC(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)n1 ZINC000640308293 565298162 /nfs/dbraw/zinc/29/81/62/565298162.db2.gz NVZVVNXAKHICMT-OAHLLOKOSA-N 1 0 392.301 3.141 20 0 GFADRO Cc1ccc(CN(CC[NH+](C)C)C(=O)CCn2cc(Br)cn2)o1 ZINC000618417317 565298696 /nfs/dbraw/zinc/29/86/96/565298696.db2.gz QMDDIBZPJPJUGU-UHFFFAOYSA-N 1 0 383.290 2.528 20 0 GFADRO C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000618403791 565298981 /nfs/dbraw/zinc/29/89/81/565298981.db2.gz FZBJZYPPIXQOPR-LBPRGKRZSA-N 1 0 384.307 2.666 20 0 GFADRO O[C@H](COC[C@H]1CCCO1)C[N@H+]1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000618466602 565301961 /nfs/dbraw/zinc/30/19/61/565301961.db2.gz RMSMFGVILGUVJL-QNWHQSFQSA-N 1 0 379.341 2.606 20 0 GFADRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)Nc2nn(C)cc2Br)C1 ZINC000640327775 565302545 /nfs/dbraw/zinc/30/25/45/565302545.db2.gz SOQPZHFVLOLGKZ-KBPBESRZSA-N 1 0 398.349 3.301 20 0 GFADRO CC(C)[NH2+][C@H]1CCCN(C(=O)Nc2nnc(C(F)(F)C(F)(F)F)s2)C1 ZINC000640385069 565304691 /nfs/dbraw/zinc/30/46/91/565304691.db2.gz XTVMCMWVKRGGAY-QMMMGPOBSA-N 1 0 387.378 3.187 20 0 GFADRO O=C(c1c(F)cncc1Br)N1CCCN(c2cc[nH+]cc2)CC1 ZINC000640440695 565308477 /nfs/dbraw/zinc/30/84/77/565308477.db2.gz GKZLFKZSETVINC-UHFFFAOYSA-N 1 0 379.233 2.731 20 0 GFADRO O=C(Cc1ccc(Br)cc1O)N1CCCN(c2cc[nH+]cc2)CC1 ZINC000640444579 565310720 /nfs/dbraw/zinc/31/07/20/565310720.db2.gz FTCIOARMFFQRIH-UHFFFAOYSA-N 1 0 390.281 2.831 20 0 GFADRO C[C@]1(C2CC2)C[N@H+](C[C@@H](O)COc2cc(F)cc(Br)c2)CCO1 ZINC000661166864 565311691 /nfs/dbraw/zinc/31/16/91/565311691.db2.gz CPHDDEPCEUOWJY-NVXWUHKLSA-N 1 0 388.277 2.829 20 0 GFADRO CO[C@@H]1CCC[C@@H]([C@@H](CO)[NH2+]CC(=O)Nc2ccc(Br)cc2C)C1 ZINC000661214924 565314035 /nfs/dbraw/zinc/31/40/35/565314035.db2.gz BQZHBBASEPYUDS-FRFSOERESA-N 1 0 399.329 2.852 20 0 GFADRO CCC(C)(C)[C@@H](C)[NH2+]CC(=O)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1 ZINC000661235506 565315162 /nfs/dbraw/zinc/31/51/62/565315162.db2.gz OHLWWNRHQRMJPC-CABCVRRESA-N 1 0 386.583 2.678 20 0 GFADRO COC[C@H](C)OC[C@H](O)C[NH+]1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000661376632 565321215 /nfs/dbraw/zinc/32/12/15/565321215.db2.gz FKZPEDNIUYAYPR-DZGCQCFKSA-N 1 0 377.312 2.528 20 0 GFADRO C[C@H](C(=O)Nc1cccc(Cl)c1Cl)n1cc([C@@H]([NH3+])[C@H]2CCCO2)nn1 ZINC000640782611 565326640 /nfs/dbraw/zinc/32/66/40/565326640.db2.gz VQIOVQXZJGIOFC-XXLQHYSLSA-N 1 0 384.267 2.963 20 0 GFADRO [NH3+][C@@H](c1cn(CCOc2ccc(Br)cc2)nn1)C1CCOCC1 ZINC000640790274 565327881 /nfs/dbraw/zinc/32/78/81/565327881.db2.gz OUUOSAHHNZSYQD-MRXNPFEDSA-N 1 0 381.274 2.546 20 0 GFADRO Cc1cc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H]3NC(=O)CC[C@@H]3C2)ccc1Br ZINC000661598573 565330630 /nfs/dbraw/zinc/33/06/30/565330630.db2.gz PSZBTGLFUNPCSH-ZENOOKHLSA-N 1 0 394.313 2.685 20 0 GFADRO CN(Cc1cc(Br)cs1)C(=O)C[N@@H+]1CCC[C@@](O)(C2CC2)C1 ZINC000661631236 565331901 /nfs/dbraw/zinc/33/19/01/565331901.db2.gz YVGBQUSWYVRFJC-INIZCTEOSA-N 1 0 387.343 2.706 20 0 GFADRO CC(C)CCNC(=O)[C@@H](C)n1cc([C@@H]([NH3+])c2ccc(Br)cc2)nn1 ZINC000640907110 565336491 /nfs/dbraw/zinc/33/64/91/565336491.db2.gz ZDJNOAJHGIITSU-WBMJQRKESA-N 1 0 394.317 2.812 20 0 GFADRO CCN(CC)C(=O)[C@@H](C)n1cc([C@@H]([NH3+])c2ccc(Br)cc2)nn1 ZINC000640919297 565337160 /nfs/dbraw/zinc/33/71/60/565337160.db2.gz CQSLJRVIAIYKHT-ABAIWWIYSA-N 1 0 380.290 2.518 20 0 GFADRO C[NH2+][C@@H](C)c1cn([C@H](C)C(=O)N(C)Cc2ccc(Br)cc2)nn1 ZINC000640924305 565337685 /nfs/dbraw/zinc/33/76/85/565337685.db2.gz AINLRLPMLAFPKI-NWDGAFQWSA-N 1 0 380.290 2.541 20 0 GFADRO CC[C@@H]([NH2+]CCC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1Cl)C1CC1 ZINC000661759450 565338327 /nfs/dbraw/zinc/33/83/27/565338327.db2.gz VQHNPDPPXRJGPN-OAHLLOKOSA-N 1 0 387.933 2.697 20 0 GFADRO CCn1cnnc1CC[NH2+]Cc1c(F)ccc(I)c1F ZINC000619425031 565339746 /nfs/dbraw/zinc/33/97/46/565339746.db2.gz XXFGVVCGIIKBLQ-UHFFFAOYSA-N 1 0 392.191 2.513 20 0 GFADRO CCc1nnc([C@H](C)n2cc([C@@H]([NH3+])c3ccc(Br)cc3)nn2)o1 ZINC000641033587 565342274 /nfs/dbraw/zinc/34/22/74/565342274.db2.gz OJPOWACIZLQEHQ-XPTSAGLGSA-N 1 0 377.246 2.643 20 0 GFADRO C[C@H](c1cc(Cl)ccc1Cl)n1cc(CNC(=O)C2CC[NH2+]CC2)nn1 ZINC000641133866 565349797 /nfs/dbraw/zinc/34/97/97/565349797.db2.gz ZNZKYYGORROVIN-LLVKDONJSA-N 1 0 382.295 2.810 20 0 GFADRO CC(C)NC(=O)[C@H]1CCC[N@H+](C[C@@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000662117236 565351486 /nfs/dbraw/zinc/35/14/86/565351486.db2.gz BOFKXDRZTQEQDW-DZGCQCFKSA-N 1 0 389.323 2.970 20 0 GFADRO CN(CCC[NH+]1CCCC1)C(=O)c1cc(I)ccc1O ZINC000619617778 565353003 /nfs/dbraw/zinc/35/30/03/565353003.db2.gz BFYXVBZUBDFHHR-UHFFFAOYSA-N 1 0 388.249 2.555 20 0 GFADRO COc1cc(Br)ccc1CCCN1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000662153981 565353192 /nfs/dbraw/zinc/35/31/92/565353192.db2.gz VNJPDYWHIOUOAD-SFHVURJKSA-N 1 0 397.357 2.921 20 0 GFADRO O[C@@H](COc1ccc(Br)cc1)Cn1cc(C[NH2+]C2CCCC2)nn1 ZINC000641194359 565353260 /nfs/dbraw/zinc/35/32/60/565353260.db2.gz OYVVNGCNYVOVKJ-MRXNPFEDSA-N 1 0 395.301 2.513 20 0 GFADRO C[C@H](CCc1ccc(I)cc1)[NH2+]CC[C@@]1(O)CCOC1 ZINC000593670948 565355336 /nfs/dbraw/zinc/35/53/36/565355336.db2.gz MWPYFCUGGXXOCN-CZUORRHYSA-N 1 0 389.277 2.743 20 0 GFADRO NC(=O)[C@H](c1ccc(Br)cc1F)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662298748 565358782 /nfs/dbraw/zinc/35/87/82/565358782.db2.gz XKWQUAKPDATIST-GUYCJALGSA-N 1 0 398.320 2.826 20 0 GFADRO CCC[N@@H+]1CC[C@@H](NC(=O)c2nnn(-c3cccc(Br)c3)c2C)C1 ZINC000619895890 565362729 /nfs/dbraw/zinc/36/27/29/565362729.db2.gz XHAVFTHROAIKGQ-CQSZACIVSA-N 1 0 392.301 2.552 20 0 GFADRO C[NH2+]C[C@H]1CCN(C(=O)Cc2ccc(Br)c(Br)c2)C1 ZINC000662414874 565365979 /nfs/dbraw/zinc/36/59/79/565365979.db2.gz ZUKUQQHYYJUIPV-LLVKDONJSA-N 1 0 390.119 2.822 20 0 GFADRO COCC[N@@H+]1CC[C@H](NC(=O)CCSc2ccc(Br)cc2)C1 ZINC000593913418 565367068 /nfs/dbraw/zinc/36/70/68/565367068.db2.gz RKLYBCOOYBJGJA-AWEZNQCLSA-N 1 0 387.343 2.768 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC000662467144 565369683 /nfs/dbraw/zinc/36/96/83/565369683.db2.gz PPKWNOYBMLJCND-ZDUSSCGKSA-N 1 0 378.274 2.916 20 0 GFADRO CN[C@H](C(=O)NC[C@@]1([NH+](C)C)CCSC1)c1cccc(Cl)c1Cl ZINC000662489216 565371616 /nfs/dbraw/zinc/37/16/16/565371616.db2.gz KJWOYTRBOMYQKJ-HOCLYGCPSA-N 1 0 376.353 2.807 20 0 GFADRO COc1ccc(CCC(=O)N2CCC[C@]3(CC[NH2+]C3)C2)c(Br)c1 ZINC000662517599 565373951 /nfs/dbraw/zinc/37/39/51/565373951.db2.gz NFTOKVLPLHWBSB-GOSISDBHSA-N 1 0 381.314 2.992 20 0 GFADRO C[C@@H](Cc1c(Cl)cccc1Cl)NC(=O)c1cnnn1C1CC[NH2+]CC1 ZINC000662509478 565373991 /nfs/dbraw/zinc/37/39/91/565373991.db2.gz NWAGSPJNJRNCEW-NSHDSACASA-N 1 0 382.295 2.870 20 0 GFADRO Cc1c(Br)cncc1C(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000662575153 565378626 /nfs/dbraw/zinc/37/86/26/565378626.db2.gz MNXCBJSHZDJWHO-GOEBONIOSA-N 1 0 378.245 2.859 20 0 GFADRO [NH3+]C[C@H]1OCC[C@@H]1C(=O)NCCCCSc1ccccc1Br ZINC000662591083 565378696 /nfs/dbraw/zinc/37/86/96/565378696.db2.gz VHLVTXVYEMOPKI-GXTWGEPZSA-N 1 0 387.343 2.801 20 0 GFADRO O=C([C@@H]1CC12CC[NH2+]CC2)N1CCOC[C@H]1c1ccc(Br)cc1 ZINC000662661918 565380780 /nfs/dbraw/zinc/38/07/80/565380780.db2.gz XLDKWTZFWBBPFT-HOTGVXAUSA-N 1 0 379.298 2.739 20 0 GFADRO O=C(N1CCN(Cc2ccc(Cl)cc2)CC1)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662667155 565380993 /nfs/dbraw/zinc/38/09/93/565380993.db2.gz YUTOYMHCTNXQGD-INIZCTEOSA-N 1 0 375.822 2.526 20 0 GFADRO CCc1c(C(=O)N2CC3CC2(C[NH3+])C3)cnn1-c1ccc(Br)cc1 ZINC000662677640 565382478 /nfs/dbraw/zinc/38/24/78/565382478.db2.gz ONVUEGGTLMVLAY-UHFFFAOYSA-N 1 0 389.297 2.761 20 0 GFADRO CN[C@@H](C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1)c1cccc(Cl)c1Cl ZINC000662707514 565382799 /nfs/dbraw/zinc/38/27/99/565382799.db2.gz GGKHNVFUPPQPGY-CXAGYDPISA-N 1 0 386.323 2.623 20 0 GFADRO C[NH+]1CCC2(CCN(S(=O)(=O)c3csnc3-c3ccccc3)C2)CC1 ZINC000641586972 565384824 /nfs/dbraw/zinc/38/48/24/565384824.db2.gz RGUZIJJCWJCUFG-UHFFFAOYSA-N 1 0 377.535 2.917 20 0 GFADRO C[NH+]1CCC2(CCN(S(=O)(=O)c3sccc3Br)C2)CC1 ZINC000641588924 565384873 /nfs/dbraw/zinc/38/48/73/565384873.db2.gz DVLSKFSDGXESNT-UHFFFAOYSA-N 1 0 379.345 2.617 20 0 GFADRO CC(C)([NH3+])c1cc(C(=O)N2CCOc3ccc(Br)cc3C2)on1 ZINC000662811476 565385518 /nfs/dbraw/zinc/38/55/18/565385518.db2.gz ZSQXMKDMIKYKCA-UHFFFAOYSA-N 1 0 380.242 2.666 20 0 GFADRO O=C(NCCNc1cccc(Br)c1)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662800587 565386292 /nfs/dbraw/zinc/38/62/92/565386292.db2.gz FIPKFIOCMRDMFD-ZDUSSCGKSA-N 1 0 380.208 2.519 20 0 GFADRO O=C(c1[nH]c2ccccc2c1Br)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000620486583 565386296 /nfs/dbraw/zinc/38/62/96/565386296.db2.gz JJOILFVZOOBZAN-CYBMUJFWSA-N 1 0 392.297 2.602 20 0 GFADRO C[C@H](Oc1cc(Cl)cc(Cl)c1)C(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000620484209 565386333 /nfs/dbraw/zinc/38/63/33/565386333.db2.gz JDPZAOVOGSLVHK-LRDDRELGSA-N 1 0 387.307 2.818 20 0 GFADRO CC(C)(C(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1)c1ccc(Br)cc1 ZINC000620487303 565386395 /nfs/dbraw/zinc/38/63/95/565386395.db2.gz VJKXLBBKCNXOSM-KRWDZBQOSA-N 1 0 395.341 2.784 20 0 GFADRO O=C([C@@H]1C[C@H]1C1CC[NH2+]CC1)N1CCOC[C@H]1c1cccc(Br)c1 ZINC000662885234 565388196 /nfs/dbraw/zinc/38/81/96/565388196.db2.gz XZQNVLSSXYWQGJ-KSZLIROESA-N 1 0 393.325 2.985 20 0 GFADRO C[C@@]([NH3+])(C(=O)N[C@@H]1COc2cc(F)ccc2C1)c1ccc(Br)cc1 ZINC000662874210 565388444 /nfs/dbraw/zinc/38/84/44/565388444.db2.gz GOCBFZYSYZNXGI-YJBOKZPZSA-N 1 0 393.256 2.882 20 0 GFADRO CN[C@@H](C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1)c1cccc(Cl)c1Cl ZINC000662972053 565390565 /nfs/dbraw/zinc/39/05/65/565390565.db2.gz HNJFURWDNSLDKY-SUMWQHHRSA-N 1 0 388.339 2.823 20 0 GFADRO C[C@@]1(NC(=O)CCc2ncc(-c3ccccc3Br)o2)CC[NH2+]C1 ZINC000663010889 565393612 /nfs/dbraw/zinc/39/36/12/565393612.db2.gz LRJLAMYDSXNRBK-QGZVFWFLSA-N 1 0 378.270 2.905 20 0 GFADRO CN(CCCC[NH+]1CCCCC1)S(=O)(=O)c1ccc(C(F)(F)F)nc1 ZINC000641697907 565395530 /nfs/dbraw/zinc/39/55/30/565395530.db2.gz NJBLYESWSRCPQA-UHFFFAOYSA-N 1 0 379.448 2.987 20 0 GFADRO Cc1cc(N2CC[C@H]([NH2+]Cc3ccncc3N)C2=O)ccc1Br ZINC000641747199 565397188 /nfs/dbraw/zinc/39/71/88/565397188.db2.gz FWIVGMXHSVMDKQ-INIZCTEOSA-N 1 0 375.270 2.630 20 0 GFADRO OC[C@@H]1CC[C@H](C[NH2+]Cc2cc(Br)sc2Br)O1 ZINC000641757051 565397647 /nfs/dbraw/zinc/39/76/47/565397647.db2.gz OULOQKCMZRCYTK-BDAKNGLRSA-N 1 0 385.121 2.903 20 0 GFADRO C[NH+](C)C[C@H]1COC2(CCCC2)CN1C(=O)c1ccncc1Br ZINC000620910489 565400302 /nfs/dbraw/zinc/40/03/02/565400302.db2.gz RHSFHAPXKYIAHM-ZDUSSCGKSA-N 1 0 382.302 2.560 20 0 GFADRO COCCNC(=O)C1CC[NH+](CCOc2cc(Cl)ccc2Cl)CC1 ZINC000641859022 565401086 /nfs/dbraw/zinc/40/10/86/565401086.db2.gz YDWOCSOUMNXPDG-UHFFFAOYSA-N 1 0 375.296 2.847 20 0 GFADRO Cc1ccc(CN(C[C@@H]2CCCO2)C(=O)NC/C=C\C[NH3+])c(Br)c1 ZINC000641867609 565401100 /nfs/dbraw/zinc/40/11/00/565401100.db2.gz SWAVAUXQUNNVOO-YPQKKHBXSA-N 1 0 396.329 2.963 20 0 GFADRO CC[C@@H]1CN(C(=O)c2ncc(Br)cc2Br)C[C@H](C)[NH2+]1 ZINC000620899347 565401165 /nfs/dbraw/zinc/40/11/65/565401165.db2.gz DIVJBLOQXCGICJ-WCBMZHEXSA-N 1 0 391.107 2.819 20 0 GFADRO C[NH+](C)CCC[C@@H]1CN(C(=O)Cc2cscc2Br)CCO1 ZINC000620978130 565403413 /nfs/dbraw/zinc/40/34/13/565403413.db2.gz DVILOBPIRILFJW-CYBMUJFWSA-N 1 0 375.332 2.622 20 0 GFADRO COc1ccc(Br)cc1C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000620970505 565403551 /nfs/dbraw/zinc/40/35/51/565403551.db2.gz RJSSKMBHLJHVBH-AWEZNQCLSA-N 1 0 385.302 2.641 20 0 GFADRO CN([C@@H](C[NH3+])C(F)(F)F)S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000663310521 565411712 /nfs/dbraw/zinc/41/17/12/565411712.db2.gz HTGMDXKPJSJFLV-VIFPVBQESA-N 1 0 384.729 2.869 20 0 GFADRO CNS(=O)(=O)CC[NH+]1CCC(OCc2ccc(Cl)c(Cl)c2)CC1 ZINC000621262816 565413497 /nfs/dbraw/zinc/41/34/97/565413497.db2.gz QQOYROPYEZPBBJ-UHFFFAOYSA-N 1 0 381.325 2.524 20 0 GFADRO C[C@@H](CNS(=O)(=O)c1cccc(OC(F)(F)F)c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000642515756 565413516 /nfs/dbraw/zinc/41/35/16/565413516.db2.gz FQASBDPCRRXOAL-OLZOCXBDSA-N 1 0 380.432 2.984 20 0 GFADRO CN1CC[NH+](CC2CCN(c3nc(C4CC4)ncc3Br)CC2)CC1 ZINC000663422851 565419323 /nfs/dbraw/zinc/41/93/23/565419323.db2.gz NTALYXFXPPFMIG-UHFFFAOYSA-N 1 0 394.361 2.580 20 0 GFADRO O=C(NCCSc1ccc(Cl)cc1)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000663485531 565422687 /nfs/dbraw/zinc/42/26/87/565422687.db2.gz ULHKQSYNAYCOIA-MRXNPFEDSA-N 1 0 383.945 2.673 20 0 GFADRO Cc1nc(C)c(Br)c(N2CCC(CC[NH+]3CCOCC3)CC2)n1 ZINC000663479815 565423196 /nfs/dbraw/zinc/42/31/96/565423196.db2.gz KGFXFVBCDCOHFQ-UHFFFAOYSA-N 1 0 383.334 2.795 20 0 GFADRO Brc1ccc(-c2ncc(CN3CCOC4(C[NH2+]C4)C3)s2)cc1 ZINC000663513149 565424228 /nfs/dbraw/zinc/42/42/28/565424228.db2.gz SJYCPYYAWFGWOV-UHFFFAOYSA-N 1 0 380.311 2.747 20 0 GFADRO O[C@H]1CCC[C@H]1[NH+]1CCN(Cc2nc3ccc(Br)cc3o2)CC1 ZINC000643369392 565431184 /nfs/dbraw/zinc/43/11/84/565431184.db2.gz QMYFQDOPZWDZQN-CABCVRRESA-N 1 0 380.286 2.621 20 0 GFADRO [NH3+][C@@H]1CCc2ncc(NC(=O)c3cc4c(cc3Br)OCO4)cc2C1 ZINC000621653049 565434861 /nfs/dbraw/zinc/43/48/61/565434861.db2.gz NYRVAEGCKDCHNR-SNVBAGLBSA-N 1 0 390.237 2.641 20 0 GFADRO O=C(CC[C@H]1CCC[NH2+]C1)N[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000621645939 565435222 /nfs/dbraw/zinc/43/52/22/565435222.db2.gz NZQKKMQCCFRHTJ-ZBFHGGJFSA-N 1 0 380.330 2.924 20 0 GFADRO O=C(c1cc2c(cc1Br)OCO2)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000621664084 565435785 /nfs/dbraw/zinc/43/57/85/565435785.db2.gz KCNTZUHGMNOJNI-SMDDNHRTSA-N 1 0 381.270 2.782 20 0 GFADRO [NH3+][C@@H]1CCCCN(CC(=O)N(Cc2cccs2)Cc2cccs2)C1=O ZINC000643621240 565436162 /nfs/dbraw/zinc/43/61/62/565436162.db2.gz JFZCYWBYPJTNAX-MRXNPFEDSA-N 1 0 377.535 2.678 20 0 GFADRO COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]CCc1cn2cc(Br)cc(C)c2n1 ZINC000594946607 565437076 /nfs/dbraw/zinc/43/70/76/565437076.db2.gz QLQUCBCHBLHDAY-KCPJHIHWSA-N 1 0 380.286 2.735 20 0 GFADRO COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+][C@@H]1CCN(c2ccc(Br)c(C)c2)C1=O ZINC000594943446 565437238 /nfs/dbraw/zinc/43/72/38/565437238.db2.gz DXKMXJXWRUPKDA-ADSMDIBLSA-N 1 0 395.297 2.650 20 0 GFADRO [NH3+][C@]12CCC[C@@H]1CN(C(=O)[C@@H]1CCN(c3cc(Cl)ccc3Cl)C1=O)C2 ZINC000621688296 565437260 /nfs/dbraw/zinc/43/72/60/565437260.db2.gz SHGCTNQMTYZRDL-YNKQFZHNSA-N 1 0 382.291 2.686 20 0 GFADRO [NH3+][C@]12CCC[C@H]1CN(C(=O)c1cc(=O)[nH]c3c(Br)cccc13)C2 ZINC000621681118 565437341 /nfs/dbraw/zinc/43/73/41/565437341.db2.gz NDSAVEUVKFUALB-BTDLBPIBSA-N 1 0 376.254 2.656 20 0 GFADRO CCC[C@H](O)[C@@H](CO)[NH2+]Cc1cc(Cl)ccc1I ZINC000594945629 565437527 /nfs/dbraw/zinc/43/75/27/565437527.db2.gz GYARSUORJACSLD-OLZOCXBDSA-N 1 0 383.657 2.556 20 0 GFADRO [NH3+][C@@]12CCC[C@H]1CN(C(=O)C1CCN(C(=O)c3ccc(Cl)s3)CC1)C2 ZINC000621694178 565437480 /nfs/dbraw/zinc/43/74/80/565437480.db2.gz CTQCJDWAXZKCRJ-SCLBCKFNSA-N 1 0 381.929 2.594 20 0 GFADRO COc1cc(C[NH2+][C@@H](C)C2(CO)CC2)cc(I)c1OC ZINC000594965372 565438122 /nfs/dbraw/zinc/43/81/22/565438122.db2.gz FXSJJXUSKIPMRS-JTQLQIEISA-N 1 0 391.249 2.559 20 0 GFADRO O=C(NCCc1cc(Cl)cc(Cl)c1)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000663831188 565438341 /nfs/dbraw/zinc/43/83/41/565438341.db2.gz PWGBGUWKJXHUNJ-QGZVFWFLSA-N 1 0 386.323 2.777 20 0 GFADRO CO[C@@H]1CCC[C@@H]([C@H](CO)[NH2+]Cc2cccc(I)c2)C1 ZINC000594965593 565438936 /nfs/dbraw/zinc/43/89/36/565438936.db2.gz PWCFIMRVMVMSRI-BMFZPTHFSA-N 1 0 389.277 2.947 20 0 GFADRO [NH3+][C@@]12CCC[C@@H]1CN(Cc1nc(Cc3cccc(Br)c3)no1)C2 ZINC000621782228 565441351 /nfs/dbraw/zinc/44/13/51/565441351.db2.gz NSOGSEALQGVPMM-CXAGYDPISA-N 1 0 377.286 2.736 20 0 GFADRO CC(C)(C)OC(=O)C1(C[NH2+]Cc2ccc(S(N)(=O)=O)c(Cl)c2)CCC1 ZINC000594996126 565441340 /nfs/dbraw/zinc/44/13/40/565441340.db2.gz UDLGFZMOCVKCIF-UHFFFAOYSA-N 1 0 388.917 2.589 20 0 GFADRO CC(C)[NH2+][C@@H]1CCCN(C(=O)c2cc(Br)cc3c2OCCO3)C1 ZINC000621814886 565443363 /nfs/dbraw/zinc/44/33/63/565443363.db2.gz UPIUQNRFGRKDER-CYBMUJFWSA-N 1 0 383.286 2.823 20 0 GFADRO OCC1(C[NH2+][C@H]2CCc3ccc(I)cc32)CCOCC1 ZINC000595022109 565443988 /nfs/dbraw/zinc/44/39/88/565443988.db2.gz IXTGKMGSNJKTDV-HNNXBMFYSA-N 1 0 387.261 2.657 20 0 GFADRO C[C@@H]1CN(C(=O)NCC(F)(F)c2ccc(Br)cc2)CC[C@H]1[NH3+] ZINC000621851371 565445220 /nfs/dbraw/zinc/44/52/20/565445220.db2.gz RVPAZSVVAYRAHP-ZWNOBZJWSA-N 1 0 376.245 2.920 20 0 GFADRO CC(C)C[NH2+]C1(CO)CCN(c2ncnc3ccc(Br)cc32)CC1 ZINC000663961697 565445331 /nfs/dbraw/zinc/44/53/31/565445331.db2.gz HLHCVBAZSDFHGC-UHFFFAOYSA-N 1 0 393.329 2.969 20 0 GFADRO Brc1cc2ncnc(N3CCC[C@H](N4CCOCC4)C3)c2s1 ZINC000663949320 565445528 /nfs/dbraw/zinc/44/55/28/565445528.db2.gz BLMGFHWIDJGYCY-NSHDSACASA-N 1 0 383.315 2.755 20 0 GFADRO CO[C@H](C[NH2+][C@@H](C)c1ccc(I)cc1)[C@@H]1CCOC1 ZINC000595059945 565445666 /nfs/dbraw/zinc/44/56/66/565445666.db2.gz JCHBTGGHHCYAEK-NJZAAPMLSA-N 1 0 375.250 2.993 20 0 GFADRO COCC[N@@H+]1CC[C@H](NCc2c(F)c(F)c(Br)c(F)c2F)C1 ZINC000643802816 565445683 /nfs/dbraw/zinc/44/56/83/565445683.db2.gz BWHRKTJVJDTJSP-QMMMGPOBSA-N 1 0 385.199 2.816 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCC[C@@H]([S@@](C)=O)C1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000595071211 565446643 /nfs/dbraw/zinc/44/66/43/565446643.db2.gz PMWHIVDOPYZJKY-CSQSAFSRSA-N 1 0 384.567 2.567 20 0 GFADRO CCSC1(C[NH2+]C2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)CC1 ZINC000595102038 565448118 /nfs/dbraw/zinc/44/81/18/565448118.db2.gz YNIBNSZBSNPIAA-UHFFFAOYSA-N 1 0 384.567 2.724 20 0 GFADRO COc1cc2[nH+]ccc(NC[C@H](OC)[C@H]3CCOC3)c2cc1Br ZINC000664156933 565453663 /nfs/dbraw/zinc/45/36/63/565453663.db2.gz FPJKFWUBTUHUAV-GTNSWQLSSA-N 1 0 381.270 2.891 20 0 GFADRO [NH3+][C@@]12CCC[C@@H]1CN(S(=O)(=O)Cc1ccc(Cl)cc1Br)C2 ZINC000622014551 565455162 /nfs/dbraw/zinc/45/51/62/565455162.db2.gz HJHNYJTVMOCEDJ-BXUZGUMPSA-N 1 0 393.734 2.746 20 0 GFADRO [NH3+][C@@]12CCC[C@@H]1CN(S(=O)(=O)c1csc(-c3ccc(Cl)cc3)n1)C2 ZINC000622013874 565455646 /nfs/dbraw/zinc/45/56/46/565455646.db2.gz WRKMOTTWEXIAEL-MLGOLLRUSA-N 1 0 383.926 2.965 20 0 GFADRO O=C(C[NH2+]C[C@H]1CCCO1)N[C@H]1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000644046621 565456059 /nfs/dbraw/zinc/45/60/59/565456059.db2.gz SRZSUKGVLJFJPX-NOOOWODRSA-N 1 0 376.341 2.781 20 0 GFADRO C[C@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000622027101 565456133 /nfs/dbraw/zinc/45/61/33/565456133.db2.gz XQRHERFHCBRKGK-YNKQFZHNSA-N 1 0 384.307 2.853 20 0 GFADRO COc1ccc([C@@H](C[NH+](C)C)NC(=O)c2cc(Br)c[nH]c2=O)cc1 ZINC000622033626 565456148 /nfs/dbraw/zinc/45/61/48/565456148.db2.gz AGVJXDFADXXMRB-OAHLLOKOSA-N 1 0 394.269 2.591 20 0 GFADRO O=C(Nc1ccc(I)cc1F)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000595236447 565456681 /nfs/dbraw/zinc/45/66/81/565456681.db2.gz ZNHOTQZOUGUWCP-ZANVPECISA-N 1 0 389.212 2.646 20 0 GFADRO COc1ccc(I)c(NC(=O)NCC2([NH3+])CCCC2)c1 ZINC000595228339 565456724 /nfs/dbraw/zinc/45/67/24/565456724.db2.gz AOSFSTCFBDWJEB-UHFFFAOYSA-N 1 0 389.237 2.693 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)c2nc(C3CC3)ncc2Br)C1 ZINC000664291880 565457790 /nfs/dbraw/zinc/45/77/90/565457790.db2.gz MZGSHLUYARUWPL-LLVKDONJSA-N 1 0 381.318 2.967 20 0 GFADRO COc1cc(C(=O)N(C2CC2)C2CC[NH2+]CC2)cc(Br)c1OC ZINC000644095229 565458499 /nfs/dbraw/zinc/45/84/99/565458499.db2.gz DCLHBWLWEXXXJR-UHFFFAOYSA-N 1 0 383.286 2.823 20 0 GFADRO COc1ccc(Br)c(CC(=O)NCc2ccc3c(c2)C[NH2+]C3)c1 ZINC000644111555 565458771 /nfs/dbraw/zinc/45/87/71/565458771.db2.gz BFCINWNUSUQKCC-UHFFFAOYSA-N 1 0 375.266 2.920 20 0 GFADRO C[C@H]1[NH2+]CC[C@H]1C(=O)NCc1cc(Cl)ccc1I ZINC000595255576 565459565 /nfs/dbraw/zinc/45/95/65/565459565.db2.gz FPRRQNJCRCXQDH-LDYMZIIASA-N 1 0 378.641 2.559 20 0 GFADRO Cc1cc(SCC(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)c(C)cc1Br ZINC000644141964 565459924 /nfs/dbraw/zinc/45/99/24/565459924.db2.gz UXUAUOYROYQBOS-RYUDHWBXSA-N 1 0 375.307 2.974 20 0 GFADRO C[C@@H]([NH3+])C[C@H](C)NC(=O)NCc1cc(Cl)ccc1I ZINC000595274513 565459996 /nfs/dbraw/zinc/45/99/96/565459996.db2.gz RWXFBBALZNBFEE-BDAKNGLRSA-N 1 0 395.672 2.870 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)N(C)C1(C[NH3+])CCC1 ZINC000644139810 565460618 /nfs/dbraw/zinc/46/06/18/565460618.db2.gz UYACUTMCNJGVKS-CQSZACIVSA-N 1 0 384.567 2.691 20 0 GFADRO C[C@@H](NC(=O)Cn1cc2c(n1)[C@H]([NH3+])CCC2)c1ccc(Br)cc1 ZINC000644167773 565461325 /nfs/dbraw/zinc/46/13/25/565461325.db2.gz NAVAHDLHCDYYDE-IAQYHMDHSA-N 1 0 377.286 2.859 20 0 GFADRO COC(=O)CCN(CC(=O)c1c[nH]c2ncc(Br)cc12)C(C)C ZINC000595321642 565463551 /nfs/dbraw/zinc/46/35/51/565463551.db2.gz XNORXFZIWAILFX-UHFFFAOYSA-N 1 0 382.258 2.782 20 0 GFADRO O=C(NC[C@H]1CC[N@@H+]1Cc1ccccc1)c1cc(Br)c[nH]c1=O ZINC000622183521 565466363 /nfs/dbraw/zinc/46/63/63/565466363.db2.gz WZRGMGFEPQUYQU-CQSZACIVSA-N 1 0 376.254 2.554 20 0 GFADRO C[C@@H](Oc1ccc(F)cc1Br)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000622404896 565471190 /nfs/dbraw/zinc/47/11/90/565471190.db2.gz VBEWVASXELLYFK-LLVKDONJSA-N 1 0 399.264 2.752 20 0 GFADRO Cc1nn(C)c(OCC(F)(F)F)c1C[NH2+][C@@H]1CC[C@](O)(C(F)(F)F)C1 ZINC000644425190 565477037 /nfs/dbraw/zinc/47/70/37/565477037.db2.gz ZGXOXQBNUHXKRT-BXKDBHETSA-N 1 0 375.313 2.605 20 0 GFADRO COc1ncc(Br)cc1CN1C[C@@H]([NH+]2CCCC2)[C@@H](SC)C1 ZINC000595433944 565478016 /nfs/dbraw/zinc/47/80/16/565478016.db2.gz XEPJYACBUYSKNW-CABCVRRESA-N 1 0 386.359 2.864 20 0 GFADRO CNC(=O)c1cccc(C[NH2+]C[C@@H](O)COc2ccc(Cl)cc2Cl)c1 ZINC000644519130 565479282 /nfs/dbraw/zinc/47/92/82/565479282.db2.gz YOSYNSROPLCVPK-OAHLLOKOSA-N 1 0 383.275 2.883 20 0 GFADRO CC1(C)Cc2n[nH]cc2C[N@@H+](C[C@@H](O)COc2ccc(Br)cc2)C1 ZINC000664870990 565483386 /nfs/dbraw/zinc/48/33/86/565483386.db2.gz HDWKOYCJCVKOLU-OAHLLOKOSA-N 1 0 394.313 2.996 20 0 GFADRO COc1cccc2c1C[C@@H]([NH2+]C[C@H](O)COc1ccc(Br)cc1)C2 ZINC000644668777 565489130 /nfs/dbraw/zinc/48/91/30/565489130.db2.gz JLEWVEAUDGEIDG-HOTGVXAUSA-N 1 0 392.293 2.954 20 0 GFADRO O=C(c1nc(C2CC2)ncc1Br)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000623060093 565492864 /nfs/dbraw/zinc/49/28/64/565492864.db2.gz DZZFEBANIHBFAC-TZMCWYRMSA-N 1 0 379.302 2.721 20 0 GFADRO COC(=O)[C@@H](c1ccc(Cl)cc1Cl)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000595862819 565495358 /nfs/dbraw/zinc/49/53/58/565495358.db2.gz HEROHGLYDMNNSL-RHSMWYFYSA-N 1 0 387.307 2.739 20 0 GFADRO [NH3+]Cc1cc(=O)[nH]c(CN[C@@H]2CCCCc3ccc(Br)cc32)n1 ZINC000665293202 565495776 /nfs/dbraw/zinc/49/57/76/565495776.db2.gz VJBSXPMVNIIHEP-OAHLLOKOSA-N 1 0 377.286 2.961 20 0 GFADRO Cc1c(C(=O)N2CC[C@@H]3C[N@@H+](C)C[C@@H]32)cnn1-c1cccc(Br)c1 ZINC000644816170 565496372 /nfs/dbraw/zinc/49/63/72/565496372.db2.gz TZPKBXIAMSRQJV-DYVFJYSZSA-N 1 0 389.297 2.719 20 0 GFADRO O=C(NCCC[NH+]1CCCCC1)c1cc(Br)cc2c1OCCO2 ZINC000665488315 565501828 /nfs/dbraw/zinc/50/18/28/565501828.db2.gz IDGSTZFANJXQML-UHFFFAOYSA-N 1 0 383.286 2.826 20 0 GFADRO C[NH+](C)CCCNCc1cc(Cl)cc(Cl)c1OCCN1CCOCC1 ZINC000623336839 565504429 /nfs/dbraw/zinc/50/44/29/565504429.db2.gz IFYGCEBQLAWQEB-UHFFFAOYSA-N 1 0 390.355 2.746 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)N(CC[NH+](C)C)CC(=O)N(C)C ZINC000665600520 565505318 /nfs/dbraw/zinc/50/53/18/565505318.db2.gz FYMAIHUATHFJKO-UHFFFAOYSA-N 1 0 399.333 2.550 20 0 GFADRO COC(=O)c1sc2c(c1Br)CN(C(=O)[C@H]([NH3+])c1ccccc1)C2 ZINC000596006704 565505722 /nfs/dbraw/zinc/50/57/22/565505722.db2.gz YWMPCKWXFPWNAL-CYBMUJFWSA-N 1 0 395.278 2.839 20 0 GFADRO C[C@@H](NC(=O)NC[C@H](c1ccccc1)[NH+](C)C)c1ncc(Br)cn1 ZINC000644969370 565506132 /nfs/dbraw/zinc/50/61/32/565506132.db2.gz RFNSILDDAQDWPB-IUODEOHRSA-N 1 0 392.301 2.902 20 0 GFADRO C[NH+](C)CCCNC(=O)NC1CCN(Cc2cccc(Br)c2)CC1 ZINC000665689544 565508463 /nfs/dbraw/zinc/50/84/63/565508463.db2.gz CMCIRMZGMBPFPU-UHFFFAOYSA-N 1 0 397.361 2.664 20 0 GFADRO CCn1cnnc1CC[NH2+]Cc1c[nH]nc1-c1ccc(Br)s1 ZINC000623423370 565509122 /nfs/dbraw/zinc/50/91/22/565509122.db2.gz DEYWUDJHVMRLQM-UHFFFAOYSA-N 1 0 381.303 2.844 20 0 GFADRO CC[NH+](CC)CCCNC(=O)NCc1cc(OC)c(O)cc1Br ZINC000645104191 565512426 /nfs/dbraw/zinc/51/24/26/565512426.db2.gz HSLDLBOOXBANBO-UHFFFAOYSA-N 1 0 388.306 2.694 20 0 GFADRO COc1cc(CNC(=O)NC2CC[NH+](C3CC3)CC2)c(Br)cc1O ZINC000645142304 565514853 /nfs/dbraw/zinc/51/48/53/565514853.db2.gz APLZWYPKPPBFTO-UHFFFAOYSA-N 1 0 398.301 2.589 20 0 GFADRO CC[NH+](CC)C[C@@H](C)NC(=O)NCc1cc(OC)c(O)cc1Br ZINC000645219462 565517641 /nfs/dbraw/zinc/51/76/41/565517641.db2.gz WOKFATUOGYEZFI-LLVKDONJSA-N 1 0 388.306 2.693 20 0 GFADRO OC[C@@]1([C@@H]([NH2+]Cc2nc3cc(Br)ccc3[nH]2)C2CC2)CCCO1 ZINC000645266513 565518669 /nfs/dbraw/zinc/51/86/69/565518669.db2.gz JFVYPDJYEHCDJN-DLBZAZTESA-N 1 0 380.286 2.735 20 0 GFADRO C[NH+](C)[C@@]1(CNC(=O)NCC[C@@H]2CSc3ccccc3O2)CCSC1 ZINC000645260654 565519221 /nfs/dbraw/zinc/51/92/21/565519221.db2.gz LWJUMPGSOPEJIJ-RDTXWAMCSA-N 1 0 381.567 2.666 20 0 GFADRO COc1cc(CNC(=O)N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c(Br)cc1O ZINC000645354116 565520959 /nfs/dbraw/zinc/52/09/59/565520959.db2.gz OEMAQHGQXPNZCE-PWSUYJOCSA-N 1 0 398.301 2.588 20 0 GFADRO CN(CC1C[NH+](C)C1)C(=O)Nc1cc(Br)ccc1-n1cccn1 ZINC000666038379 565521084 /nfs/dbraw/zinc/52/10/84/565521084.db2.gz LOTSTGONPODCDH-UHFFFAOYSA-N 1 0 378.274 2.660 20 0 GFADRO COc1cc(CNC(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)c(Br)cc1O ZINC000645354114 565521577 /nfs/dbraw/zinc/52/15/77/565521577.db2.gz OEMAQHGQXPNZCE-CMPLNLGQSA-N 1 0 398.301 2.588 20 0 GFADRO COc1cccc2c1OC[C@@H]([NH2+][C@H](C)Cn1cc(Br)ccc1=O)C2 ZINC000666087346 565523494 /nfs/dbraw/zinc/52/34/94/565523494.db2.gz GFZZMPUKIDZRFU-DOMZBBRYSA-N 1 0 393.281 2.601 20 0 GFADRO COc1c(Br)cc(C[NH2+][C@H]2C[C@H](C(N)=O)C2)cc1Br ZINC000623663656 565524216 /nfs/dbraw/zinc/52/42/16/565524216.db2.gz WHWCRNKFORUPQG-KYZUINATSA-N 1 0 392.091 2.574 20 0 GFADRO CO[C@@H](CS(=O)(=O)N[C@@H](c1nccn1C)c1ccc(Cl)cc1)C(C)C ZINC000645444946 565526141 /nfs/dbraw/zinc/52/61/41/565526141.db2.gz KKOPWQGPDXGTJB-JKSUJKDBSA-N 1 0 385.917 2.753 20 0 GFADRO Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH2+][C@@H]1CCS(=O)(=O)[C@@H]1C ZINC000623718643 565527135 /nfs/dbraw/zinc/52/71/35/565527135.db2.gz UDIUXHBHVUYKJL-RDTXWAMCSA-N 1 0 381.929 2.867 20 0 GFADRO C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)NCCO[C@H]1CC1(F)F ZINC000666213808 565527574 /nfs/dbraw/zinc/52/75/74/565527574.db2.gz MBDCMMMQRDHDTM-HNNXBMFYSA-N 1 0 375.847 2.837 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+]CCN2CCCc3ccccc32)cc1Cl ZINC000666238404 565528148 /nfs/dbraw/zinc/52/81/48/565528148.db2.gz HTBHCUXIBBJZJX-UHFFFAOYSA-N 1 0 379.913 2.530 20 0 GFADRO CCOc1ccc(Br)cc1S(=O)(=O)NCC[N@H+](C)[C@@H](C)CC ZINC000596615096 565529795 /nfs/dbraw/zinc/52/97/95/565529795.db2.gz HCPZFJJQQOUDJI-LBPRGKRZSA-N 1 0 393.347 2.856 20 0 GFADRO COc1ncc(S(=O)(=O)N2CCC[C@@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)cc1Cl ZINC000645486391 565530629 /nfs/dbraw/zinc/53/06/29/565530629.db2.gz KPDKBELTVDHPKH-HZSPNIEDSA-N 1 0 387.933 2.770 20 0 GFADRO Fc1ccc(C[NH2+]C[C@H]2CN(Cc3ccncc3)CCO2)c(Br)c1 ZINC000623781682 565530675 /nfs/dbraw/zinc/53/06/75/565530675.db2.gz YBHLMGVJZDSKKV-KRWDZBQOSA-N 1 0 394.288 2.974 20 0 GFADRO CN(CC1C[NH+](C)C1)C(=O)N[C@H]1CSCc2ccc(Br)cc21 ZINC000666399827 565535856 /nfs/dbraw/zinc/53/58/56/565535856.db2.gz VWLOCXZVAUHPPZ-HNNXBMFYSA-N 1 0 384.343 2.940 20 0 GFADRO CN(C)S(=O)(=O)n1ccnc1C[NH2+][C@H]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000666419040 565536748 /nfs/dbraw/zinc/53/67/48/565536748.db2.gz XYMURXYXPDCSDN-ZBFHGGJFSA-N 1 0 382.917 2.617 20 0 GFADRO CN(C)S(=O)(=O)n1ccnc1C[NH2+][C@@H]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000666419035 565537059 /nfs/dbraw/zinc/53/70/59/565537059.db2.gz XYMURXYXPDCSDN-GOEBONIOSA-N 1 0 382.917 2.617 20 0 GFADRO CC[C@@H](Cc1ccc(Br)cc1)[NH2+]CCCN1CCC[C@H]1C(N)=O ZINC000624086750 565542296 /nfs/dbraw/zinc/54/22/96/565542296.db2.gz URURHAUCOYMEHO-IRXDYDNUSA-N 1 0 382.346 2.700 20 0 GFADRO C[NH+](C)CCN(Cc1cccs1)S(=O)(=O)c1ncccc1C(F)(F)F ZINC000645597078 565542584 /nfs/dbraw/zinc/54/25/84/565542584.db2.gz PDFBVVXUQDOUBO-UHFFFAOYSA-N 1 0 393.456 2.914 20 0 GFADRO CCOC(=O)C[C@@H](NC(=O)NC[C@H](c1cccs1)[NH+](C)C)C(F)(F)F ZINC000597007941 565545245 /nfs/dbraw/zinc/54/52/45/565545245.db2.gz BLFPXZOJVHCMBK-ZYHUDNBSSA-N 1 0 381.420 2.534 20 0 GFADRO CS(=O)(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCc2cc(Br)ccc21 ZINC000624136374 565545229 /nfs/dbraw/zinc/54/52/29/565545229.db2.gz HGFMQZHBCLFRRY-BZUAXINKSA-N 1 0 387.343 2.886 20 0 GFADRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)Nc1ccc(I)cc1F ZINC000597022284 565547527 /nfs/dbraw/zinc/54/75/27/565547527.db2.gz OBIOGWHEWSBCEW-NSHDSACASA-N 1 0 391.228 2.988 20 0 GFADRO C[NH+](C)CCC[C@H]1CN(C(=O)Nc2nc(-c3ccsc3)ns2)CCO1 ZINC000666683238 565547706 /nfs/dbraw/zinc/54/77/06/565547706.db2.gz RICFZCXTFQXMAV-ZDUSSCGKSA-N 1 0 381.527 2.841 20 0 GFADRO COC(=O)[C@H](O)C1CC[NH+](Cc2cc3cc(Br)ccc3o2)CC1 ZINC000597029779 565549616 /nfs/dbraw/zinc/54/96/16/565549616.db2.gz NKRWXJWHQHSNKW-MRXNPFEDSA-N 1 0 382.254 2.941 20 0 GFADRO CC[NH+]1CCN([C@H]2CCN(C(=O)Nc3cccc(Br)c3F)C2)CC1 ZINC000597073465 565550770 /nfs/dbraw/zinc/55/07/70/565550770.db2.gz IOYNEYWGYARNLW-ZDUSSCGKSA-N 1 0 399.308 2.832 20 0 GFADRO [NH3+]C[C@H](Cc1ccccc1)[C@@H]1CCCCN1S(=O)(=O)CCC(F)(F)F ZINC000624362071 565552338 /nfs/dbraw/zinc/55/23/38/565552338.db2.gz GEDGKOMWLKJKIQ-HOTGVXAUSA-N 1 0 378.460 2.941 20 0 GFADRO Cc1cc(Br)c(F)cc1S(=O)(=O)N1CCCC[C@H]1[C@H](C)[NH3+] ZINC000624352096 565552541 /nfs/dbraw/zinc/55/25/41/565552541.db2.gz ICFMNYFTHUPORI-GWCFXTLKSA-N 1 0 379.295 2.787 20 0 GFADRO O=C([C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21)N1CC[NH+](CC2CC2)CC1 ZINC000624415624 565556465 /nfs/dbraw/zinc/55/64/65/565556465.db2.gz UKPPPKYNNRSGRJ-BPQIPLTHSA-N 1 0 375.310 2.889 20 0 GFADRO [NH3+][C@H]1CCCC[C@H]1CC(=O)NCc1nnc(-c2ccc(Br)cc2)[nH]1 ZINC000645871640 565569503 /nfs/dbraw/zinc/56/95/03/565569503.db2.gz VRRCDWKFOLUYSI-JSGCOSHPSA-N 1 0 392.301 2.758 20 0 GFADRO CN1CCOC[C@@H]1CNC(=O)N1CCC(c2ccccc2Br)CC1 ZINC000624734458 565573774 /nfs/dbraw/zinc/57/37/74/565573774.db2.gz ZNOOPJCYPIYMBF-HNNXBMFYSA-N 1 0 396.329 2.669 20 0 GFADRO COC(=O)c1cc(Br)cc(C(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)c1 ZINC000597859884 565578541 /nfs/dbraw/zinc/57/85/41/565578541.db2.gz HRGOMLHPTMVHBA-CQSZACIVSA-N 1 0 383.286 2.838 20 0 GFADRO C[C@@H]1[C@H](C(=O)NCc2cc(Cl)ccc2I)CC[N@@H+]1C ZINC000597895325 565580348 /nfs/dbraw/zinc/58/03/48/565580348.db2.gz VTSUVHICFMXQQF-BXKDBHETSA-N 1 0 392.668 2.901 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)c2csc(I)c2)C1 ZINC000597925447 565582733 /nfs/dbraw/zinc/58/27/33/565582733.db2.gz VJVXAOBHXNQTDZ-JTQLQIEISA-N 1 0 378.279 2.955 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CN(C(=O)N[C@@H](c2ccc(F)c(Cl)c2)C(F)(F)F)CCO1 ZINC000667492243 565589097 /nfs/dbraw/zinc/58/90/97/565589097.db2.gz VUQHTOJTRFYSIK-HJIKLVIJSA-N 1 0 383.773 2.840 20 0 GFADRO CCN(C(=O)Cc1ccc(I)cc1)[C@@H]1CC[N@H+](CC)C1 ZINC000598042724 565590765 /nfs/dbraw/zinc/59/07/65/565590765.db2.gz XGVHYLSXMFKURC-OAHLLOKOSA-N 1 0 386.277 2.776 20 0 GFADRO CCN(C(=O)Cc1ccc(I)cc1)[C@H]1CC[N@H+](CC)C1 ZINC000598042723 565590961 /nfs/dbraw/zinc/59/09/61/565590961.db2.gz XGVHYLSXMFKURC-HNNXBMFYSA-N 1 0 386.277 2.776 20 0 GFADRO Cc1nc(-c2cccc(Cl)c2)sc1C(=O)N[C@H](CO)C[NH+]1CCCC1 ZINC000646220363 565591944 /nfs/dbraw/zinc/59/19/44/565591944.db2.gz SXEQAZLVQOZEIF-HNNXBMFYSA-N 1 0 379.913 2.958 20 0 GFADRO O=C(Nc1ccc(Br)c2ccccc12)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000667507325 565592565 /nfs/dbraw/zinc/59/25/65/565592565.db2.gz MZOUNXVRPZZMPB-GFCCVEGCSA-N 1 0 390.281 2.799 20 0 GFADRO CC[C@H]1CN(C(=O)C(=O)Nc2cc(Br)c(C)cc2C)CC[C@H]1[NH3+] ZINC000667546116 565593388 /nfs/dbraw/zinc/59/33/88/565593388.db2.gz DJDGZRYHVOIDRL-GXTWGEPZSA-N 1 0 382.302 2.590 20 0 GFADRO CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCO[C@H]2c2cncc(Br)c2)C1 ZINC000667562928 565594267 /nfs/dbraw/zinc/59/42/67/565594267.db2.gz PJWBYRKQLRISOS-XKQJLSEDSA-N 1 0 396.329 2.770 20 0 GFADRO CC[C@H]1CN(C(=O)C(=O)Nc2nc(-c3ccc(C)s3)cs2)CC[C@@H]1[NH3+] ZINC000667550595 565594434 /nfs/dbraw/zinc/59/44/34/565594434.db2.gz POJHURMNSKGTEF-RYUDHWBXSA-N 1 0 378.523 2.704 20 0 GFADRO CC[C@@H]1CN(C(=O)C(=O)Nc2c(C)cc(C)cc2Br)CC[C@@H]1[NH3+] ZINC000667548724 565594784 /nfs/dbraw/zinc/59/47/84/565594784.db2.gz SXVICKHCXVKXKW-OCCSQVGLSA-N 1 0 382.302 2.590 20 0 GFADRO CC[C@@H](C)Sc1ccc(NC(=O)C(=O)NC[C@@H](C)[NH3+])c(C(F)(F)F)c1 ZINC000667559884 565594849 /nfs/dbraw/zinc/59/48/49/565594849.db2.gz VZXGNEFGWSHCAV-NXEZZACHSA-N 1 0 377.432 2.998 20 0 GFADRO C[C@H]1COCC[N@@H+]1C1CCN(C(=O)Cc2ccccc2Br)CC1 ZINC000646322767 565596620 /nfs/dbraw/zinc/59/66/20/565596620.db2.gz YCJHMSPCVMOIAL-AWEZNQCLSA-N 1 0 381.314 2.703 20 0 GFADRO O=C(CCCCc1ccc(Br)cc1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000646364366 565600005 /nfs/dbraw/zinc/60/00/05/565600005.db2.gz RRBNBYSUUFAPAW-GOSISDBHSA-N 1 0 394.357 2.668 20 0 GFADRO COCCN(CC[NH+](C)C)C(=O)Nc1ccc(-c2ccc(Cl)s2)nn1 ZINC000667682192 565600319 /nfs/dbraw/zinc/60/03/19/565600319.db2.gz CQVBMVQDUSNMEV-UHFFFAOYSA-N 1 0 383.905 2.900 20 0 GFADRO O=C(NCC[N@@H+]1CCCOCC1)Nc1ccc(Br)c2ncccc12 ZINC000667866112 565609410 /nfs/dbraw/zinc/60/94/10/565609410.db2.gz SCKCUAOBVDQXRX-UHFFFAOYSA-N 1 0 393.285 2.841 20 0 GFADRO CCC[N@@H+]1CC[C@@H](NC(=O)c2scc(C)c2I)C1 ZINC000598342753 565611003 /nfs/dbraw/zinc/61/10/03/565611003.db2.gz PWISPPKJLVLWKX-SNVBAGLBSA-N 1 0 378.279 2.875 20 0 GFADRO Cc1cc(Br)c(F)cc1S(=O)(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000625244213 565611267 /nfs/dbraw/zinc/61/12/67/565611267.db2.gz XPBYGPIBOXAKDF-YOGCLGLASA-N 1 0 391.306 2.800 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000646649379 565612200 /nfs/dbraw/zinc/61/22/00/565612200.db2.gz CAYDKEIXNGVXOZ-AWEZNQCLSA-N 1 0 377.286 2.815 20 0 GFADRO O=C(Nc1cccc(Br)c1F)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000667916634 565613182 /nfs/dbraw/zinc/61/31/82/565613182.db2.gz KOYFDDADDDLBLG-LBPRGKRZSA-N 1 0 386.265 2.651 20 0 GFADRO Cc1ccc2c(Cl)c(C(=O)N3CCC[C@H](C(=O)NCC[NH3+])C3)sc2c1 ZINC000646666615 565613365 /nfs/dbraw/zinc/61/33/65/565613365.db2.gz ATKGAJQXOVQANS-LBPRGKRZSA-N 1 0 379.913 2.790 20 0 GFADRO C[C@H](CNC(=O)c1cc2cc(Br)sc2[nH]1)C[NH+]1CCN(C)CC1 ZINC000646874646 565624037 /nfs/dbraw/zinc/62/40/37/565624037.db2.gz RDQYBNPYJNYYFD-LLVKDONJSA-N 1 0 399.358 2.605 20 0 GFADRO Cc1[nH]c2ccc(Br)cc2c1CC(=O)N1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000646915981 565625375 /nfs/dbraw/zinc/62/53/75/565625375.db2.gz YWYMZNKUROECGF-YVEFUNNKSA-N 1 0 376.298 2.944 20 0 GFADRO C[N@@H+]1C[C@H]2CCN(C(=O)c3nn(-c4ccc(F)cc4)cc3Br)[C@H]2C1 ZINC000646927589 565626617 /nfs/dbraw/zinc/62/66/17/565626617.db2.gz NXYBEMICERXYEU-ABAIWWIYSA-N 1 0 393.260 2.550 20 0 GFADRO Cc1sc2nc(C)nc(SCC(=O)N3CC[C@H]4C[N@@H+](C)C[C@@H]43)c2c1C ZINC000646934895 565626758 /nfs/dbraw/zinc/62/67/58/565626758.db2.gz XMSNAJFARTYTOE-KBPBESRZSA-N 1 0 376.551 2.871 20 0 GFADRO Cn1nc2cc(Br)ccc2c1C(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000647047419 565634632 /nfs/dbraw/zinc/63/46/32/565634632.db2.gz IVBDLHBIODMDOG-HAQNSBGRSA-N 1 0 379.302 2.831 20 0 GFADRO C[C@H](Oc1cc(Cl)cc(Cl)c1)C(=O)N1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000647079343 565635869 /nfs/dbraw/zinc/63/58/69/565635869.db2.gz WSDZFPYXGLFYRL-QWHCGFSZSA-N 1 0 387.307 2.975 20 0 GFADRO C[C@@H](CC(=O)N1CCC([C@H]2[NH2+]CC2(C)C)CC1)n1cc(Br)cn1 ZINC000647092720 565636406 /nfs/dbraw/zinc/63/64/06/565636406.db2.gz JCMCPNACCHDOTD-BLLLJJGKSA-N 1 0 383.334 2.833 20 0 GFADRO O=S(=O)(Cc1ccccc1Br)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000625530777 565636608 /nfs/dbraw/zinc/63/66/08/565636608.db2.gz JFSIXZRICQRKKL-HNNXBMFYSA-N 1 0 387.343 2.885 20 0 GFADRO C[NH2+]C[C@H]1CCCN(S(=O)(=O)Cc2ccc(Br)cc2Cl)C1 ZINC000647182131 565644540 /nfs/dbraw/zinc/64/45/40/565644540.db2.gz JSXUGHOTIRDIMA-LLVKDONJSA-N 1 0 395.750 2.864 20 0 GFADRO COc1ccccc1[C@@H]([NH3+])CNS(=O)(=O)C1CCC(C(F)(F)F)CC1 ZINC000647187771 565644668 /nfs/dbraw/zinc/64/46/68/565644668.db2.gz WMDIOTCFUNZFAJ-YIZWMMSDSA-N 1 0 380.432 2.736 20 0 GFADRO COc1ccccc1[C@@H]([NH3+])CNS(=O)(=O)c1ccc(C)c(Br)c1 ZINC000647187092 565645011 /nfs/dbraw/zinc/64/50/11/565645011.db2.gz CVHACKOAFWLNRQ-HNNXBMFYSA-N 1 0 399.310 2.744 20 0 GFADRO CC(C)Cn1nccc1C[NH2+]C[C@@H](O)COc1ccccc1Br ZINC000647193344 565645337 /nfs/dbraw/zinc/64/53/37/565645337.db2.gz VRLOXJWMHBVOJO-OAHLLOKOSA-N 1 0 382.302 2.831 20 0 GFADRO C[C@@H](CCc1ccc(O)cc1)[NH2+]CCNC(=O)c1ccc(Br)cn1 ZINC000668458255 565647006 /nfs/dbraw/zinc/64/70/06/565647006.db2.gz CXECAGBCVYRTGC-ZDUSSCGKSA-N 1 0 392.297 2.890 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CCCN(S(=O)(=O)Cc2ccc(Br)cc2Cl)C1 ZINC000647222781 565647605 /nfs/dbraw/zinc/64/76/05/565647605.db2.gz GBPSZDCHOCLIPV-MNOVXSKESA-N 1 0 395.750 2.992 20 0 GFADRO CCC([NH3+])(CC)CNS(=O)(=O)c1ccc2c(Br)cn(C)c2c1 ZINC000647229895 565647679 /nfs/dbraw/zinc/64/76/79/565647679.db2.gz ZBZJYOHMTJFXCU-UHFFFAOYSA-N 1 0 388.331 2.737 20 0 GFADRO O=S(=O)(c1ccc(F)c(C(F)(F)F)c1)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647237730 565647962 /nfs/dbraw/zinc/64/79/62/565647962.db2.gz RQPLSHQFCCMZDQ-ABAIWWIYSA-N 1 0 380.407 2.997 20 0 GFADRO O=S(=O)(c1csc(-c2ccccc2)n1)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647237581 565648565 /nfs/dbraw/zinc/64/85/65/565648565.db2.gz HDHYANLBSVIWRA-HOTGVXAUSA-N 1 0 377.535 2.963 20 0 GFADRO CS(=O)(=O)[C@@H]1CN(Cc2ccc(OCC3CC3)cc2)C[C@H]1C(F)(F)F ZINC000668470263 565648706 /nfs/dbraw/zinc/64/87/06/565648706.db2.gz SUOWHGYMDFGJBG-HZPDHXFCSA-N 1 0 377.428 2.883 20 0 GFADRO Cc1cc(Br)cn2c(C[NH2+]CC(C)(C)[C@]3(O)CCOC3)cnc12 ZINC000647247220 565649301 /nfs/dbraw/zinc/64/93/01/565649301.db2.gz DDGHOIBLKCYQHB-KRWDZBQOSA-N 1 0 382.302 2.672 20 0 GFADRO CC[C@H](CCc1ccc(Br)cc1)[NH2+][C@@H]1CS(=O)(=O)C[C@@H]1OC ZINC000668506043 565650776 /nfs/dbraw/zinc/65/07/76/565650776.db2.gz FWTWWGWHMIRZJN-OAGGEKHMSA-N 1 0 390.343 2.562 20 0 GFADRO CC[C@@H]1CN(S(=O)(=O)c2ccc(Br)c(Cl)c2)CC[C@H]1[NH3+] ZINC000647269777 565651462 /nfs/dbraw/zinc/65/14/62/565651462.db2.gz ZNRWAQSBBUOBSI-NOZJJQNGSA-N 1 0 381.723 2.850 20 0 GFADRO CC[C@H]1CN(S(=O)(=O)c2cc(C)c(Br)cc2C)CC[C@H]1[NH3+] ZINC000647268372 565651543 /nfs/dbraw/zinc/65/15/43/565651543.db2.gz AQKQGAIWJPYZLB-GXTWGEPZSA-N 1 0 375.332 2.814 20 0 GFADRO CC(C)(C)OC(=O)c1ccc(C[NH2+]C[C@H]2CCCCN2S(C)(=O)=O)s1 ZINC000598974835 565651668 /nfs/dbraw/zinc/65/16/68/565651668.db2.gz BTXYVASREQMBNV-CYBMUJFWSA-N 1 0 388.555 2.607 20 0 GFADRO COC(=O)CCNC(=O)CC[NH2+][C@@H](C)c1cc(C)c(Br)s1 ZINC000599004284 565652865 /nfs/dbraw/zinc/65/28/65/565652865.db2.gz LEHYATFPTOOZRT-JTQLQIEISA-N 1 0 377.304 2.539 20 0 GFADRO C[C@H](C[S@@](C)=O)[NH2+][C@@H](C)c1ccc(NS(=O)(=O)c2ccccc2)cc1 ZINC000599045399 565654034 /nfs/dbraw/zinc/65/40/34/565654034.db2.gz QOKURGHWSJUNJD-JPMUSVJPSA-N 1 0 380.535 2.905 20 0 GFADRO O=C1CC[C@H]2C[N@H+](Cc3cnn(-c4ccc(Br)cc4)c3)CC[C@H]2N1 ZINC000668542154 565654030 /nfs/dbraw/zinc/65/40/30/565654030.db2.gz NZYPDWWUISLWEL-WMLDXEAASA-N 1 0 389.297 2.735 20 0 GFADRO O=S(=O)(c1ccc(Br)s1)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647306994 565654979 /nfs/dbraw/zinc/65/49/79/565654979.db2.gz ONPFVUJXOIGHRK-RYUDHWBXSA-N 1 0 393.372 2.911 20 0 GFADRO C[NH2+]C[C@@H]1C[C@H](F)CN1S(=O)(=O)c1ccc2nc(C(C)(C)C)sc2c1 ZINC000647293469 565655052 /nfs/dbraw/zinc/65/50/52/565655052.db2.gz JHRKPRPEDFOUIG-RYUDHWBXSA-N 1 0 385.530 2.914 20 0 GFADRO O=S(=O)(c1ccccc1Br)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647306658 565655160 /nfs/dbraw/zinc/65/51/60/565655160.db2.gz DAULQYWMFSPGSD-ZIAGYGMSSA-N 1 0 387.343 2.849 20 0 GFADRO COC(=O)C1CC[NH+](CCCNC(=O)c2csc(C(F)(F)F)c2)CC1 ZINC000599069752 565655374 /nfs/dbraw/zinc/65/53/74/565655374.db2.gz HVUSRSLAAYZGPP-UHFFFAOYSA-N 1 0 378.416 2.772 20 0 GFADRO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000647316552 565656742 /nfs/dbraw/zinc/65/67/42/565656742.db2.gz QZLKGRFPVPIYSO-GZBFAFLISA-N 1 0 390.933 2.550 20 0 GFADRO O=S(=O)(c1ccc(C(F)(F)F)nc1)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647307642 565656997 /nfs/dbraw/zinc/65/69/97/565656997.db2.gz DVZZKCCYEQVFQP-QWHCGFSZSA-N 1 0 377.432 2.501 20 0 GFADRO Cn1cncc1CCC[NH2+][C@@]1(CO)CCc2cc(Br)ccc2C1 ZINC000625797142 565660484 /nfs/dbraw/zinc/66/04/84/565660484.db2.gz QQCZZJNYBNSMGM-SFHVURJKSA-N 1 0 378.314 2.625 20 0 GFADRO O=C(NCCC[NH+]1CCCC1)C1CCN(C(=O)c2ccsc2Cl)CC1 ZINC000668673971 565660946 /nfs/dbraw/zinc/66/09/46/565660946.db2.gz DEYGJSCRFUXSHZ-UHFFFAOYSA-N 1 0 383.945 2.856 20 0 GFADRO COc1cc(C[NH2+][C@]2(CO)CCc3cc(Br)ccc3C2)sn1 ZINC000625797191 565660923 /nfs/dbraw/zinc/66/09/23/565660923.db2.gz RYBZJJHLWUVGRH-MRXNPFEDSA-N 1 0 383.311 2.924 20 0 GFADRO C[C@H](c1cccc(Br)c1)[NH+]1CCC(n2cc(C(N)=O)nn2)CC1 ZINC000625807425 565661539 /nfs/dbraw/zinc/66/15/39/565661539.db2.gz QLSDYWQMFIGUJA-LLVKDONJSA-N 1 0 378.274 2.538 20 0 GFADRO CN(CCN1CC[NH2+]CC1)Cc1csc(COc2ccc(Cl)cc2)n1 ZINC000647492779 565661777 /nfs/dbraw/zinc/66/17/77/565661777.db2.gz YMPINRUCXZQYPB-UHFFFAOYSA-N 1 0 380.945 2.713 20 0 GFADRO COc1cc(Br)c(C[NH2+]C[C@@H]2CC(=O)N(C(C)(C)C)C2)cc1O ZINC000668693799 565661767 /nfs/dbraw/zinc/66/17/67/565661767.db2.gz WATLVJWQMMEBLG-NSHDSACASA-N 1 0 385.302 2.900 20 0 GFADRO CC[C@@H](C)C[C@H](CO)[NH2+]CCS(=O)(=O)c1cccc(Br)c1 ZINC000647524894 565662357 /nfs/dbraw/zinc/66/23/57/565662357.db2.gz KMYIUXAJNFNLCU-TZMCWYRMSA-N 1 0 378.332 2.610 20 0 GFADRO C[C@@H]1CC[C@H](NC(=O)Nc2cnn(-c3ccccc3Br)c2)C[NH2+]1 ZINC000625872637 565663226 /nfs/dbraw/zinc/66/32/26/565663226.db2.gz WTJZCKNGSHZOBV-NEPJUHHUSA-N 1 0 378.274 2.897 20 0 GFADRO C[NH2+]CCOCCNC(=O)Nc1ccc(C(F)(F)F)cc1Br ZINC000625871961 565663369 /nfs/dbraw/zinc/66/33/69/565663369.db2.gz DKBVKADWCXQIDG-UHFFFAOYSA-N 1 0 384.196 2.825 20 0 GFADRO CN(CCOCC[NH3+])C(=O)Nc1ccnn1Cc1c(Cl)cccc1Cl ZINC000625880755 565664560 /nfs/dbraw/zinc/66/45/60/565664560.db2.gz LXUCSNJJMFEZEI-UHFFFAOYSA-N 1 0 386.283 2.677 20 0 GFADRO [NH3+]C1(CNC(=O)Nc2cc(F)c(Br)cc2Cl)CCOCC1 ZINC000625885525 565664596 /nfs/dbraw/zinc/66/45/96/565664596.db2.gz DWJJVORVDKFDQJ-UHFFFAOYSA-N 1 0 380.645 2.871 20 0 GFADRO C[NH+](C)C1(CNC(=O)Cc2c(Cl)cccc2Br)CCOCC1 ZINC000668758357 565665117 /nfs/dbraw/zinc/66/51/17/565665117.db2.gz YHFSMOMKVLHQLZ-UHFFFAOYSA-N 1 0 389.721 2.872 20 0 GFADRO COc1cc(Br)c(CN2CCO[C@@H](CCC[NH+](C)C)C2)cc1O ZINC000668785065 565666483 /nfs/dbraw/zinc/66/64/83/565666483.db2.gz MQYZXYJWAPMLKB-AWEZNQCLSA-N 1 0 387.318 2.706 20 0 GFADRO C[NH+]1CCC(O)(CNC(=O)c2cc3cc(Br)ccc3s2)CC1 ZINC000625933440 565666650 /nfs/dbraw/zinc/66/66/50/565666650.db2.gz CIYWYJZFEOQVHM-UHFFFAOYSA-N 1 0 383.311 2.850 20 0 GFADRO COC(=O)[C@H]1CCC[N@@H+]([C@H]2CCc3cc(Br)ccc3NC2=O)C1 ZINC000599281605 565667580 /nfs/dbraw/zinc/66/75/80/565667580.db2.gz KMFVKQCCYCKSSW-WFASDCNBSA-N 1 0 381.270 2.587 20 0 GFADRO C[C@@H]1C[NH+](CCCCNC(=O)c2cc(O)cc(Br)c2)C[C@@H](C)O1 ZINC000626023254 565670555 /nfs/dbraw/zinc/67/05/55/565670555.db2.gz BUTDRSJULPTNKC-CHWSQXEVSA-N 1 0 385.302 2.774 20 0 GFADRO COC1CC[NH+](CCNC(=O)c2ccc(Br)c(F)c2F)CC1 ZINC000626022607 565670957 /nfs/dbraw/zinc/67/09/57/565670957.db2.gz ALPYMYSDKJJUFK-UHFFFAOYSA-N 1 0 377.229 2.568 20 0 GFADRO C[N@H+](CC(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000626038691 565671191 /nfs/dbraw/zinc/67/11/91/565671191.db2.gz YCSPFJKOCUVKBH-DVOMOZLQSA-N 1 0 384.307 2.853 20 0 GFADRO C[N@@H+]1CCC[C@@H]1[C@H]1COCCN1C(=O)CCOc1cccc(Br)c1 ZINC000647823326 565678213 /nfs/dbraw/zinc/67/82/13/565678213.db2.gz HEYLRMJXAKFGIZ-IAGOWNOFSA-N 1 0 397.313 2.540 20 0 GFADRO C[C@@H]1C[C@H](N(C)C(=O)[C@@H]2CCO[C@H]2c2cncc(Br)c2)CC[N@@H+]1C ZINC000669129087 565678426 /nfs/dbraw/zinc/67/84/26/565678426.db2.gz SPXNRWGYKLVXBR-YYQUZTFQSA-N 1 0 396.329 2.863 20 0 GFADRO CNS(=O)(=O)C[C@H]1CCC[N@@H+]([C@H](C)c2cccc(Br)c2)C1 ZINC000626168198 565680780 /nfs/dbraw/zinc/68/07/80/565680780.db2.gz MQNDTEDUSOZBPS-OLZOCXBDSA-N 1 0 375.332 2.771 20 0 GFADRO O=C(NCC[N@H+]1CC[C@@H](O)C1)Nc1ncc(Cc2ccccc2Cl)s1 ZINC000626228775 565684720 /nfs/dbraw/zinc/68/47/20/565684720.db2.gz JKAYBKMXABOZTE-CYBMUJFWSA-N 1 0 380.901 2.575 20 0 GFADRO CC[NH+](CC)[C@@H]1CCN(C(=O)[C@@H]2CCO[C@H]2c2cncc(Br)c2)C1 ZINC000669359132 565685742 /nfs/dbraw/zinc/68/57/42/565685742.db2.gz HXYXFVLIFGEVNC-ZACQAIPSSA-N 1 0 396.329 2.864 20 0 GFADRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2cc(Br)cc3c2OCCO3)C1 ZINC000669363452 565685859 /nfs/dbraw/zinc/68/58/59/565685859.db2.gz LXGVHZNWQTXZQA-GFCCVEGCSA-N 1 0 383.286 2.634 20 0 GFADRO Cc1csc(Sc2ccc(NC(=O)NCC[N@@H+]3CC[C@@H](O)C3)cc2)n1 ZINC000626316420 565686941 /nfs/dbraw/zinc/68/69/41/565686941.db2.gz COTYORDSBOYPOQ-CQSZACIVSA-N 1 0 378.523 2.791 20 0 GFADRO COc1cc(Br)ccc1[C@H]1CCC[N@@H+]1CCCC(=O)NC(N)=O ZINC000599572978 565689424 /nfs/dbraw/zinc/68/94/24/565689424.db2.gz KKWACOXZOTVCCW-CYBMUJFWSA-N 1 0 384.274 2.570 20 0 GFADRO [NH3+]CCCOC1CCN(C(=O)NCCCc2cccc(Br)c2)CC1 ZINC000669471152 565690537 /nfs/dbraw/zinc/69/05/37/565690537.db2.gz ORCNDKNXURMMSW-UHFFFAOYSA-N 1 0 398.345 2.921 20 0 GFADRO COC[C@]1(CNC(=O)c2cc3c(cncc3Br)s2)CCC[NH2+]1 ZINC000648136391 565690906 /nfs/dbraw/zinc/69/09/06/565690906.db2.gz BXKNZXKPKWBWLK-OAHLLOKOSA-N 1 0 384.299 2.557 20 0 GFADRO C[C@H](CNC(=O)C1([NH3+])Cc2ccccc2C1)Oc1ccc(Br)cc1 ZINC000648093084 565691270 /nfs/dbraw/zinc/69/12/70/565691270.db2.gz YZTBBPWMODBPQY-CYBMUJFWSA-N 1 0 389.293 2.829 20 0 GFADRO O=C(NC[C@@H]1CCCC[NH2+]1)N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000669553905 565692069 /nfs/dbraw/zinc/69/20/69/565692069.db2.gz QZGIJSZCWLZHKW-NHYWBVRUSA-N 1 0 385.295 2.540 20 0 GFADRO O=C(N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000669553678 565692651 /nfs/dbraw/zinc/69/26/51/565692651.db2.gz OWCZEJJNEAPHLZ-AHIWAGSCSA-N 1 0 383.323 2.966 20 0 GFADRO O=C(C[C@H]1Sc2ccc(Cl)cc2NC1=O)N[C@@H]1CC[NH2+]C12CCCC2 ZINC000648207991 565693144 /nfs/dbraw/zinc/69/31/44/565693144.db2.gz SMFBDXDCNVDHBH-HUUCEWRRSA-N 1 0 379.913 2.934 20 0 GFADRO O=C(N[C@H]1COc2cc(F)c(Br)cc21)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000669581058 565693502 /nfs/dbraw/zinc/69/35/02/565693502.db2.gz CULHJTZMQIBWQD-HZMBPMFUSA-N 1 0 384.249 2.558 20 0 GFADRO O=C(N[C@H]1CC[NH2+]C2(CCC2)C1)c1cc(=O)c2cc(Br)ccc2[nH]1 ZINC000648185357 565693588 /nfs/dbraw/zinc/69/35/88/565693588.db2.gz UQDAHVPGOLSZOH-LBPRGKRZSA-N 1 0 390.281 2.695 20 0 GFADRO COC(=O)c1ccc(CN[C@@H]2CCO[C@@H]2c2nc(C)no2)c(Br)c1 ZINC000599683358 565696137 /nfs/dbraw/zinc/69/61/37/565696137.db2.gz RRABWGSQMIQDMI-KGLIPLIRSA-N 1 0 396.241 2.547 20 0 GFADRO O=C(CCCCN1CCOCC1)N[C@H]1CCOc2c(Br)cccc21 ZINC000669727313 565700407 /nfs/dbraw/zinc/70/04/07/565700407.db2.gz VODINEOPNNFBLK-INIZCTEOSA-N 1 0 397.313 2.891 20 0 GFADRO O=S(=O)(NCC[NH2+][C@H]1CCCc2cccnc21)c1ccc(F)cc1Cl ZINC000669851999 565705773 /nfs/dbraw/zinc/70/57/73/565705773.db2.gz NKMAGWSEIPTTRV-HNNXBMFYSA-N 1 0 383.876 2.820 20 0 GFADRO O=C(N[C@H]1CC[N@H+](CC2CC2)C1)N1CCOc2ccc(Br)cc2C1 ZINC000670015492 565710820 /nfs/dbraw/zinc/71/08/20/565710820.db2.gz ONANYOUPSMBTJB-INIZCTEOSA-N 1 0 394.313 2.837 20 0 GFADRO C[C@@H]1CC[C@@H](NC(=O)C(=O)Nc2cccc(Cl)c2SCC(F)F)C[NH2+]1 ZINC000626891270 565714105 /nfs/dbraw/zinc/71/41/05/565714105.db2.gz ZJOQVRIZHBAVPD-NXEZZACHSA-N 1 0 391.871 2.892 20 0 GFADRO Cc1c(Cl)cccc1NC(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000626861314 565714338 /nfs/dbraw/zinc/71/43/38/565714338.db2.gz MJNPTHAURMPMOZ-MNOVXSKESA-N 1 0 377.794 2.573 20 0 GFADRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)Nc1ccc(Br)c(Cl)c1Cl ZINC000626911068 565715240 /nfs/dbraw/zinc/71/52/40/565715240.db2.gz SWLZPNBTXZSCNF-POYBYMJQSA-N 1 0 395.084 2.561 20 0 GFADRO COc1ccc(Br)c(CNC(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)c1 ZINC000626943467 565715982 /nfs/dbraw/zinc/71/59/82/565715982.db2.gz LBEAZBCUAYULOV-CALCHBBNSA-N 1 0 382.302 2.599 20 0 GFADRO C[C@@H]1C[C@@H]([NH2+]CCNS(=O)(=O)c2cccc(Cl)c2Cl)C[C@H](C)O1 ZINC000648581131 565718250 /nfs/dbraw/zinc/71/82/50/565718250.db2.gz ZMIMRHIHOSQJDS-ZSBIGDGJSA-N 1 0 381.325 2.817 20 0 GFADRO C[C@@H](CS(C)(=O)=O)C(=O)Nc1ccc(SCC[NH+]2CCCCC2)cc1 ZINC000648563631 565718561 /nfs/dbraw/zinc/71/85/61/565718561.db2.gz AYZLYAORACXLGJ-HNNXBMFYSA-N 1 0 384.567 2.884 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)NCCOc2ccccc2Cl)CC[C@@H]1C(F)(F)F ZINC000627004687 565718641 /nfs/dbraw/zinc/71/86/41/565718641.db2.gz QIKIQGZVWBMJHB-RYUDHWBXSA-N 1 0 379.810 2.888 20 0 GFADRO CC(C)(C)c1nnc(CNC(=O)N2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)s1 ZINC000626999273 565719313 /nfs/dbraw/zinc/71/93/13/565719313.db2.gz FLLFNQFWAHLPQZ-NXEZZACHSA-N 1 0 379.452 2.504 20 0 GFADRO CN(CCOCC[NH3+])C(=O)N[C@H]1c2cccc(Br)c2CC1(C)C ZINC000627042421 565720528 /nfs/dbraw/zinc/72/05/28/565720528.db2.gz AZGAAPIYRBUBDC-HNNXBMFYSA-N 1 0 384.318 2.689 20 0 GFADRO O=C(NCC/C=C/c1ccc(Br)cc1)NC[C@H]1C[NH2+]CCCO1 ZINC000627103372 565721981 /nfs/dbraw/zinc/72/19/81/565721981.db2.gz QVBVAKPXLXJHPM-JHBSALDVSA-N 1 0 382.302 2.530 20 0 GFADRO O=C(N[C@H]1CC[NH2+]C12CCC2)N1CCc2cc(F)cc(Br)c2C1 ZINC000627126122 565722818 /nfs/dbraw/zinc/72/28/18/565722818.db2.gz BNNTWTPSSBKJKT-HNNXBMFYSA-N 1 0 382.277 2.941 20 0 GFADRO CCCN(Cc1ccccc1Br)C(=O)NCC1([NH3+])CCOCC1 ZINC000627154089 565723424 /nfs/dbraw/zinc/72/34/24/565723424.db2.gz FGNMZJKMISSIHM-UHFFFAOYSA-N 1 0 384.318 2.879 20 0 GFADRO C[C@H](Oc1cc(Cl)cc(Cl)c1)C(=O)N(C)CCCN1CC[NH+](C)CC1 ZINC000600320890 565723642 /nfs/dbraw/zinc/72/36/42/565723642.db2.gz WUVVVRZDGPHQAU-AWEZNQCLSA-N 1 0 388.339 2.857 20 0 GFADRO C[NH2+]CCOCCNC(=O)N1CCCC[C@H]1Cc1ccccc1Br ZINC000627172439 565724683 /nfs/dbraw/zinc/72/46/83/565724683.db2.gz ZDDXYQGTGBGNKB-INIZCTEOSA-N 1 0 398.345 2.792 20 0 GFADRO C[C@@H]1CC[C@H](NC(=O)N[C@@H](CO)c2ccc(Cl)cc2C(F)(F)F)C[NH2+]1 ZINC000627201804 565725941 /nfs/dbraw/zinc/72/59/41/565725941.db2.gz DOBHSSICKVFNLN-PUYPPJJSSA-N 1 0 379.810 2.832 20 0 GFADRO CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)NCCc2ccc(Cl)cc2Cl)C1 ZINC000670496655 565725980 /nfs/dbraw/zinc/72/59/80/565725980.db2.gz WKASZTMDQGCKPI-CYBMUJFWSA-N 1 0 386.323 2.500 20 0 GFADRO Cc1cc(Br)ccc1[C@@H]1CCCN1C(=O)NC[C@H]1COCC[NH2+]1 ZINC000627190837 565726233 /nfs/dbraw/zinc/72/62/33/565726233.db2.gz DAGZNMSFNAYPFT-HOCLYGCPSA-N 1 0 382.302 2.592 20 0 GFADRO CC(C)C[C@@](C)(NC(=O)NC[C@H]1COCC[NH2+]1)c1cccc(Br)c1 ZINC000627189630 565726270 /nfs/dbraw/zinc/72/62/70/565726270.db2.gz WNBZEXYDDKDHKN-FUHWJXTLSA-N 1 0 398.345 2.998 20 0 GFADRO [NH3+]CCCOCCNC(=O)N1CCC(c2ccccc2Br)CC1 ZINC000627217073 565726802 /nfs/dbraw/zinc/72/68/02/565726802.db2.gz CBUQGEOVWMYIGJ-UHFFFAOYSA-N 1 0 384.318 2.704 20 0 GFADRO [NH3+]CCCOCCNC(=O)N1CCO[C@H](c2cc(F)c(Cl)cc2Cl)C1 ZINC000627213698 565726844 /nfs/dbraw/zinc/72/68/44/565726844.db2.gz OKJAMLGMLDAZBA-HNNXBMFYSA-N 1 0 394.274 2.581 20 0 GFADRO C[C@@H]1CC[C@@H](NC(=O)N2CCOC[C@H]2c2ccc(Br)cc2)C[NH2+]1 ZINC000627209988 565727242 /nfs/dbraw/zinc/72/72/42/565727242.db2.gz JUFLTTMYZGETQM-WQVCFCJDSA-N 1 0 382.302 2.673 20 0 GFADRO Cc1ccc(CN(C[C@@H]2CCCO2)C(=O)N[C@@H]2CC[NH2+]C2)c(Br)c1 ZINC000627250844 565728709 /nfs/dbraw/zinc/72/87/09/565728709.db2.gz JFUHLYSZVPGWSC-CVEARBPZSA-N 1 0 396.329 2.810 20 0 GFADRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCC[C@@H](Nc2cccc(Br)c2)C1 ZINC000627243965 565728816 /nfs/dbraw/zinc/72/88/16/565728816.db2.gz AWGLYQDFNONKSZ-APHBMKBZSA-N 1 0 381.318 2.785 20 0 GFADRO O=C(c1ccc2cc(Br)ccc2c1)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000627260433 565729048 /nfs/dbraw/zinc/72/90/48/565729048.db2.gz IYJRCXJNTLIGHL-QZTJIDSGSA-N 1 0 389.293 2.883 20 0 GFADRO COc1c(Br)ccc(F)c1C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000648808824 565731159 /nfs/dbraw/zinc/73/11/59/565731159.db2.gz JYXVVVGURSYUFL-HNNXBMFYSA-N 1 0 391.306 2.764 20 0 GFADRO C[C@@H](NC(=O)C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1)c1cc(F)c(Cl)cc1Cl ZINC000627292200 565731376 /nfs/dbraw/zinc/73/13/76/565731376.db2.gz OLAQHJOZQAIDFA-BBBLOLIVSA-N 1 0 376.259 2.566 20 0 GFADRO O=C([C@H]1CCCN1Cc1ccc(Cl)cc1)N1CC[C@H]2CC[C@@H](C1)[S@@]2=O ZINC000600479721 565731677 /nfs/dbraw/zinc/73/16/77/565731677.db2.gz KNJUKHMTPYIGDU-YPDQXUDRSA-N 1 0 380.941 2.816 20 0 GFADRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N[C@@H](C)c1cc(F)c(Cl)cc1Cl ZINC000627291935 565731941 /nfs/dbraw/zinc/73/19/41/565731941.db2.gz IJAXAFLZKISIPG-ULCPSODYSA-N 1 0 376.259 2.566 20 0 GFADRO CCN(CC[NH3+])C(=O)C(=O)NC[C@H](Cc1ccc(Cl)cc1Cl)C(C)C ZINC000627294671 565732953 /nfs/dbraw/zinc/73/29/53/565732953.db2.gz GYSOEDXVOJXWQB-AWEZNQCLSA-N 1 0 388.339 2.732 20 0 GFADRO C[C@@H](NC(=O)C(=O)N[C@H]1CCC[N@H+](C)C1)c1cc(F)c(Cl)cc1Cl ZINC000670621837 565735161 /nfs/dbraw/zinc/73/51/61/565735161.db2.gz LZKFOAJAMKORHO-ZJUUUORDSA-N 1 0 376.259 2.520 20 0 GFADRO C[C@@H](CC(=O)N1CCN[C@@H](c2ccccc2)C1)n1cc(Br)cn1 ZINC000648925232 565739611 /nfs/dbraw/zinc/73/96/11/565739611.db2.gz APJKEVXOQQKVPJ-XJKSGUPXSA-N 1 0 377.286 2.770 20 0 GFADRO Cn1nc2cc(Br)ccc2c1C(=O)N1CCC[C@H]2C[N@H+](C)C[C@H]21 ZINC000648934178 565741041 /nfs/dbraw/zinc/74/10/41/565741041.db2.gz HWITXUYPUCFOTE-XHDPSFHLSA-N 1 0 377.286 2.502 20 0 GFADRO CCCN(C(=O)COc1ccc(Br)cc1C(C)=O)[C@@H]1CC[N@H+](C)C1 ZINC000648996665 565743841 /nfs/dbraw/zinc/74/38/41/565743841.db2.gz XPVNXODJTJVBOQ-OAHLLOKOSA-N 1 0 397.313 2.973 20 0 GFADRO CCCN(C(=O)Cc1cc2c(cc1Br)OCCO2)[C@H]1CC[N@H+](C)C1 ZINC000649004341 565744190 /nfs/dbraw/zinc/74/41/90/565744190.db2.gz YYGAFKOYXFTTIB-AWEZNQCLSA-N 1 0 397.313 2.706 20 0 GFADRO O=C1CCCN1[C@@H]1CCC[N@@H+](C[C@@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000600707203 565745275 /nfs/dbraw/zinc/74/52/75/565745275.db2.gz NWHDSLQAVMGTOJ-ZIAGYGMSSA-N 1 0 387.307 2.820 20 0 GFADRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)Cc1csc2ccc(Cl)cc12 ZINC000649073248 565746178 /nfs/dbraw/zinc/74/61/78/565746178.db2.gz RWKRCLBDERMWGK-LBPRGKRZSA-N 1 0 379.913 2.676 20 0 GFADRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)Cc1csc2ccc(Cl)cc12 ZINC000649073247 565746326 /nfs/dbraw/zinc/74/63/26/565746326.db2.gz RWKRCLBDERMWGK-GFCCVEGCSA-N 1 0 379.913 2.676 20 0 GFADRO C[C@@H](NC(=O)CN(C)[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(Br)cc1 ZINC000600726081 565747017 /nfs/dbraw/zinc/74/70/17/565747017.db2.gz FBAVSEZULNOTCE-CXAGYDPISA-N 1 0 380.330 2.795 20 0 GFADRO COc1cc(C)c(Br)cc1C(=O)N1CCOC2(CC[NH+](C)CC2)C1 ZINC000649129768 565749096 /nfs/dbraw/zinc/74/90/96/565749096.db2.gz KBHBKCMULXRLDC-UHFFFAOYSA-N 1 0 397.313 2.703 20 0 GFADRO O=C(Cc1sccc1Br)N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000627742009 565749623 /nfs/dbraw/zinc/74/96/23/565749623.db2.gz DYYFFJHDWVYTKE-UHFFFAOYSA-N 1 0 387.343 2.766 20 0 GFADRO C[NH+]1CCC2(CC1)CN(C(=O)CCc1ccccc1Br)CCO2 ZINC000649134008 565750551 /nfs/dbraw/zinc/75/05/51/565750551.db2.gz IOICHOJJNQMWRL-UHFFFAOYSA-N 1 0 381.314 2.705 20 0 GFADRO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000671100745 565752248 /nfs/dbraw/zinc/75/22/48/565752248.db2.gz QCLMFQODUUVTGU-HZPDHXFCSA-N 1 0 384.307 2.695 20 0 GFADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]CCc1ccc2c[nH]nc2c1 ZINC000671124449 565752766 /nfs/dbraw/zinc/75/27/66/565752766.db2.gz GYFXGPRLDDRJND-GFCCVEGCSA-N 1 0 375.270 2.708 20 0 GFADRO COc1ccc(Br)c(C(=O)NCCC[NH2+][C@@H](C)C(C)(C)OC)c1 ZINC000671121937 565753165 /nfs/dbraw/zinc/75/31/65/565753165.db2.gz INMQEROHRVXHHW-LBPRGKRZSA-N 1 0 387.318 2.981 20 0 GFADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)N1CCC[C@@H]1c1cccc(Br)c1 ZINC000600905205 565756517 /nfs/dbraw/zinc/75/65/17/565756517.db2.gz FMDSFGUOTUXEAN-DLBZAZTESA-N 1 0 395.345 2.541 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)C(=O)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000627905499 565761415 /nfs/dbraw/zinc/76/14/15/565761415.db2.gz MMVFMVWZZXLJJX-OAHLLOKOSA-N 1 0 394.313 2.829 20 0 GFADRO C[C@H](NC(=O)[C@H]1CCCC[N@@H+]1C)c1cc2c(cc1Br)OCCO2 ZINC000600962367 565761763 /nfs/dbraw/zinc/76/17/63/565761763.db2.gz XQVUTQHQBNNHHT-SMDDNHRTSA-N 1 0 383.286 2.882 20 0 GFADRO COCC[N@H+](CCc1ccccc1)Cc1cc(Cl)cc(S(N)(=O)=O)c1 ZINC000649501444 565763240 /nfs/dbraw/zinc/76/32/40/565763240.db2.gz JJIBINHAABDPLS-UHFFFAOYSA-N 1 0 382.913 2.679 20 0 GFADRO C[NH+]1CCN(Cc2ccc(NC(=O)c3nscc3Br)cc2)CC1 ZINC000649609023 565768118 /nfs/dbraw/zinc/76/81/18/565768118.db2.gz WCYPXFABZFZBSG-UHFFFAOYSA-N 1 0 395.326 2.905 20 0 GFADRO FC(F)(F)[C@H](C[NH2+]Cc1cccc(I)c1)n1cncn1 ZINC000601144122 565768542 /nfs/dbraw/zinc/76/85/42/565768542.db2.gz PGRZMCGIZJMGJM-NSHDSACASA-N 1 0 396.154 2.776 20 0 GFADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2nscc2Br)[C@@H](C)C1 ZINC000649738943 565775435 /nfs/dbraw/zinc/77/54/35/565775435.db2.gz ZXXKUQCABJDHAG-AAEUAGOBSA-N 1 0 390.347 2.772 20 0 GFADRO CC[N@H+](C[C@@H](O)COc1cc(F)cc(Br)c1)[C@H]1CCCOC1 ZINC000649755871 565777434 /nfs/dbraw/zinc/77/74/34/565777434.db2.gz ZVNCIXUNVPARTM-LSDHHAIUSA-N 1 0 376.266 2.829 20 0 GFADRO C[NH+](C)CCC[C@H]1CN(C(=O)c2ccc(Br)c(F)c2F)CCO1 ZINC000628159150 565777460 /nfs/dbraw/zinc/77/74/60/565777460.db2.gz ITXDZZVDHJPIJB-NSHDSACASA-N 1 0 391.256 2.910 20 0 GFADRO O[C@H](COc1c(Cl)cccc1Cl)C[NH+]1CCC(Cn2cnnc2)CC1 ZINC000649788599 565778180 /nfs/dbraw/zinc/77/81/80/565778180.db2.gz ABIWUSBJEMPXEW-AWEZNQCLSA-N 1 0 385.295 2.737 20 0 GFADRO O[C@H](COc1ccc(Cl)c(Cl)c1)C[N@@H+]1C[C@H](O)C[C@@H]1[C@H]1CCCOC1 ZINC000649832326 565781576 /nfs/dbraw/zinc/78/15/76/565781576.db2.gz BTAZFZMSEVPPTB-MOROJQBDSA-N 1 0 390.307 2.595 20 0 GFADRO COCC[N@@H+]1CCN(C[C@H](O)COc2ccc(Cl)c(Cl)c2)C(C)(C)C1 ZINC000649848532 565782162 /nfs/dbraw/zinc/78/21/62/565782162.db2.gz UMJQSSIGBIZDGK-AWEZNQCLSA-N 1 0 391.339 2.776 20 0 GFADRO CS(=O)(=O)N1CCCC[C@H]1C[NH2+][C@H]1CCc2cc(Br)ccc21 ZINC000671769509 565784690 /nfs/dbraw/zinc/78/46/90/565784690.db2.gz FNZVBGBKYWZMDS-HOCLYGCPSA-N 1 0 387.343 2.840 20 0 GFADRO CN1CC[NH+]([C@H]2CC[C@@H](NC(=O)c3cscc3Br)CC2)CC1 ZINC000671796089 565785966 /nfs/dbraw/zinc/78/59/66/565785966.db2.gz CXYVBNPWCADVNK-BETUJISGSA-N 1 0 386.359 2.799 20 0 GFADRO C[C@H](C[NH2+]C[C@@H](n1cccn1)C(F)(F)F)c1ccc(S(C)(=O)=O)cc1 ZINC000628381151 565787639 /nfs/dbraw/zinc/78/76/39/565787639.db2.gz SNVLVOURPMYCIB-IUODEOHRSA-N 1 0 375.416 2.783 20 0 GFADRO CCC1([NH+](C)C)CCN(S(=O)(=O)c2cc(Cl)ccc2C(=O)OC)CC1 ZINC000601501634 565788256 /nfs/dbraw/zinc/78/82/56/565788256.db2.gz FJHJPGQEZYSFRC-UHFFFAOYSA-N 1 0 388.917 2.622 20 0 GFADRO C[C@H]1C[C@@H]([NH3+])CN1C(=O)Nc1cc(I)ccc1Cl ZINC000601563629 565792186 /nfs/dbraw/zinc/79/21/86/565792186.db2.gz XMJBFEYXHYJPMO-IONNQARKSA-N 1 0 379.629 2.898 20 0 GFADRO COC(=O)c1cccc(NC(=O)N[C@H]2CC[C@H](C[NH3+])CC2)c1Br ZINC000601559314 565792446 /nfs/dbraw/zinc/79/24/46/565792446.db2.gz OSCUOKRKORBTLK-XYPYZODXSA-N 1 0 384.274 2.875 20 0 GFADRO C[C@@H]1[C@H](C)N(C(=O)c2c3ccc(Br)cc3nn2C)[C@@H](C)C[N@@H+]1C ZINC000650155861 565800852 /nfs/dbraw/zinc/80/08/52/565800852.db2.gz HHGDEFFAPADMSN-TUAOUCFPSA-N 1 0 379.302 2.889 20 0 GFADRO O=C([C@H]1CC[N@@H+](C[C@H](O)COc2ccc(Cl)c(Cl)c2)C1)N1CCCC1 ZINC000672573023 565813353 /nfs/dbraw/zinc/81/33/53/565813353.db2.gz OKMJFFDOVAOOGP-KBPBESRZSA-N 1 0 387.307 2.677 20 0 GFADRO CC[C@@H](C[NH+]1CCCC1)NS(=O)(=O)c1cc(C)cc(Br)c1 ZINC000672783498 565815839 /nfs/dbraw/zinc/81/58/39/565815839.db2.gz KEBCFTKCSGUYOI-AWEZNQCLSA-N 1 0 375.332 2.910 20 0 GFADRO O=C(NC[C@@H]1CC[N@@H+]1C1CCCC1)c1cc2c(cc1Br)OCO2 ZINC000628964499 565817598 /nfs/dbraw/zinc/81/75/98/565817598.db2.gz IZKSPZYTTKAOBI-LBPRGKRZSA-N 1 0 381.270 2.925 20 0 GFADRO Cc1cc(Br)ccc1[C@@H]1CCCN1C(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000629079428 565822488 /nfs/dbraw/zinc/82/24/88/565822488.db2.gz SPHKFAYFKSUEMT-ZWKOTPCHSA-N 1 0 392.341 2.811 20 0 GFADRO O=C(CCCc1cccc(Br)c1)NC[C@@H]1CCC[N@H+]1CCCO ZINC000650583416 565827930 /nfs/dbraw/zinc/82/79/30/565827930.db2.gz NXYHHEOGVHKZRM-KRWDZBQOSA-N 1 0 383.330 2.735 20 0 GFADRO COCC[N@@H+]1CCN(C(=O)Cc2cc(Br)ccc2OC)C(C)(C)C1 ZINC000650830604 565836839 /nfs/dbraw/zinc/83/68/39/565836839.db2.gz CVQAVZOFVYBOQR-UHFFFAOYSA-N 1 0 399.329 2.569 20 0 GFADRO COCCN1CCN(C(=O)c2cc(OC)ccc2Br)C(C)(C)C1 ZINC000650833173 565837647 /nfs/dbraw/zinc/83/76/47/565837647.db2.gz FFJLPDVZQRETMU-UHFFFAOYSA-N 1 0 385.302 2.641 20 0 GFADRO Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)N[C@H](CO)C[NH+]1CCCC1 ZINC000673533696 565838949 /nfs/dbraw/zinc/83/89/49/565838949.db2.gz SFJYOLOSGVJHDZ-HNNXBMFYSA-N 1 0 379.913 2.958 20 0 GFADRO C[NH+](C)CCOCCNC(=O)NC1(c2ccccc2Br)CCC1 ZINC000651053383 565843122 /nfs/dbraw/zinc/84/31/22/565843122.db2.gz JQQXYYKUFUEGAW-UHFFFAOYSA-N 1 0 384.318 2.706 20 0 GFADRO CC(=O)N[C@H](C)c1ccc(S(=O)(=O)NCCC[NH+](C(C)C)C(C)C)s1 ZINC000673628679 565844697 /nfs/dbraw/zinc/84/46/97/565844697.db2.gz OGPIJUUSGQYOOI-CQSZACIVSA-N 1 0 389.587 2.732 20 0 GFADRO C[NH+](C)CCn1cc(NC(=O)NCc2cc(F)ccc2Br)cn1 ZINC000673867876 565850362 /nfs/dbraw/zinc/85/03/62/565850362.db2.gz SLHDZSPQUUKSRS-UHFFFAOYSA-N 1 0 384.253 2.668 20 0 GFADRO COC(=O)c1cc(C[NH2+]CC(=O)Nc2ccc(Br)cc2C)[nH]c1C ZINC000602525706 565852581 /nfs/dbraw/zinc/85/25/81/565852581.db2.gz BUJVSIDUKVWACD-UHFFFAOYSA-N 1 0 394.269 2.909 20 0 GFADRO C[S@@](=O)C1(C(=O)N2CC(C)(C)c3cc(Br)ccc32)CC[NH2+]CC1 ZINC000602557627 565854830 /nfs/dbraw/zinc/85/48/30/565854830.db2.gz YPIOPGRTEAVOFC-HSZRJFAPSA-N 1 0 399.354 2.574 20 0 GFADRO CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+]Cc2ccc(I)s2)C1 ZINC000602557151 565855515 /nfs/dbraw/zinc/85/55/15/565855515.db2.gz MWPIZZFIFBCZSG-GXSJLCMTSA-N 1 0 399.319 2.798 20 0 GFADRO C[N@@H+]1CCC[C@H](N2CCN(c3ncnc4cc(Br)sc43)CC2)C1 ZINC000651317019 565856386 /nfs/dbraw/zinc/85/63/86/565856386.db2.gz BGDVLYMMAJTACC-LBPRGKRZSA-N 1 0 396.358 2.670 20 0 GFADRO Cc1sc2nc(CS[C@H](C)C(=O)N3C[C@H]([NH3+])C[C@H]3C)[nH]c(=O)c2c1C ZINC000602595413 565856560 /nfs/dbraw/zinc/85/65/60/565856560.db2.gz IHYSLVPEBGKTGA-GGZOMVNGSA-N 1 0 380.539 2.584 20 0 GFADRO C[N@H+](CCCO)C1CCN(c2ncnc3cc(Br)sc32)CC1 ZINC000651316998 565856650 /nfs/dbraw/zinc/85/66/50/565856650.db2.gz ALZDOUKNFPVPCF-UHFFFAOYSA-N 1 0 385.331 2.737 20 0 GFADRO COC(=O)c1[nH]c(C[NH2+][C@@](C)(CO)c2ccc(Br)cc2)cc1C ZINC000602660624 565861106 /nfs/dbraw/zinc/86/11/06/565861106.db2.gz GUCOBFIWSZIIIL-KRWDZBQOSA-N 1 0 381.270 2.870 20 0 GFADRO CC(C)CC[C@@H](CO)[NH2+]C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000629591411 565861742 /nfs/dbraw/zinc/86/17/42/565861742.db2.gz IAFVOZOUMKPDHW-GJZGRUSLSA-N 1 0 378.282 2.715 20 0 GFADRO C[N@H+](CC(=O)N1CC(Cc2ccccc2Br)C1)[C@@H]1CCSC1 ZINC000629605903 565863853 /nfs/dbraw/zinc/86/38/53/565863853.db2.gz ZIFAWVDSEYQLHC-OAHLLOKOSA-N 1 0 383.355 2.887 20 0 GFADRO COc1cc2[nH+]ccc(NCC[C@]3(O)CCCOC3)c2cc1Br ZINC000651469931 565864757 /nfs/dbraw/zinc/86/47/57/565864757.db2.gz DWWLSKMYNVNYLJ-QGZVFWFLSA-N 1 0 381.270 2.771 20 0 GFADRO Cc1noc([C@@H]2OCC[C@@H]2[NH2+]Cc2ccc(I)s2)n1 ZINC000602729426 565864914 /nfs/dbraw/zinc/86/49/14/565864914.db2.gz KYJVZAKAOPNUSQ-GXSJLCMTSA-N 1 0 391.234 2.664 20 0 GFADRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)[C@H]1CCOc2ccc(Br)cc21 ZINC000651488962 565865743 /nfs/dbraw/zinc/86/57/43/565865743.db2.gz IMCTVEDTQPCOBG-WPGHFRTFSA-N 1 0 379.298 2.914 20 0 GFADRO CCOC(=O)[C@]1(C[NH2+]Cc2cnc3ccc(Br)cn23)CCCOC1 ZINC000602742890 565866791 /nfs/dbraw/zinc/86/67/91/565866791.db2.gz UPCWPDVWWWPUHP-KRWDZBQOSA-N 1 0 396.285 2.546 20 0 GFADRO CC(C)[N@H+](C)CCCNC(=O)c1cc(=O)c2cc(Br)ccc2[nH]1 ZINC000602743776 565866869 /nfs/dbraw/zinc/86/68/69/565866869.db2.gz AVQKKCMXVSLZAU-UHFFFAOYSA-N 1 0 380.286 2.751 20 0 GFADRO Cc1cc(CCC(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)ccc1Br ZINC000674360771 565871123 /nfs/dbraw/zinc/87/11/23/565871123.db2.gz VPPLMUZGAODCDW-ROUUACIJSA-N 1 0 395.341 2.748 20 0 GFADRO CC[NH+](CC)Cc1ccc(C(=O)Nc2cc(Br)cn(C)c2=O)o1 ZINC000674355474 565871812 /nfs/dbraw/zinc/87/18/12/565871812.db2.gz YCRWOFPOXZBFDW-UHFFFAOYSA-N 1 0 382.258 2.835 20 0 GFADRO O=[S@@](CC[NH+]1CCC(CCO)(CCO)CC1)c1cc(Cl)ccc1Cl ZINC000602966318 565877072 /nfs/dbraw/zinc/87/70/72/565877072.db2.gz AOPMNUCAHZJGQS-DEOSSOPVSA-N 1 0 394.364 2.948 20 0 GFADRO C[NH+](C)CCN(Cc1cccs1)C(=O)CCn1cc(Br)cn1 ZINC000674537882 565878379 /nfs/dbraw/zinc/87/83/79/565878379.db2.gz JEDPMQHFTDFWHH-UHFFFAOYSA-N 1 0 385.331 2.688 20 0 GFADRO O=S(=O)(Cc1ccc(Cl)cc1)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000651605588 565878663 /nfs/dbraw/zinc/87/86/63/565878663.db2.gz MDQDPFSHHRGYMM-ZWKOTPCHSA-N 1 0 386.945 2.527 20 0 GFADRO CCn1cnnc1CC[NH2+]Cc1cc(Br)ccc1OC(F)F ZINC000674717766 565881060 /nfs/dbraw/zinc/88/10/60/565881060.db2.gz SYUJJYIZAGWPRK-UHFFFAOYSA-N 1 0 375.217 2.994 20 0 GFADRO COC(=O)c1ccc(Cn2cc([C@H]([NH3+])C(C)(C)C)nn2)c(Br)c1 ZINC000603240053 565890845 /nfs/dbraw/zinc/89/08/45/565890845.db2.gz PUAONWXGGPLZAB-AWEZNQCLSA-N 1 0 381.274 2.921 20 0 GFADRO [NH3+]CCSCc1cn(Cc2ccc(Br)c3cccnc23)nn1 ZINC000603251594 565892755 /nfs/dbraw/zinc/89/27/55/565892755.db2.gz IGENAHXMSRDZJW-UHFFFAOYSA-N 1 0 378.299 2.829 20 0 GFADRO CCOC(=O)c1nc(N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)ccc1Br ZINC000603313344 565897018 /nfs/dbraw/zinc/89/70/18/565897018.db2.gz CSPFXTCZRCQRPV-GXTWGEPZSA-N 1 0 382.302 2.941 20 0 GFADRO CC(=O)Nc1cc(F)c(S(=O)(=O)N(C)CC[NH+]2CCCCC2)cc1Cl ZINC000651926392 565905302 /nfs/dbraw/zinc/90/53/02/565905302.db2.gz SSGLQLJDHYDJTA-UHFFFAOYSA-N 1 0 391.896 2.544 20 0 GFADRO C[NH+](C)CC1CCC(NC(=O)c2ncc(I)s2)CC1 ZINC000603431698 565905905 /nfs/dbraw/zinc/90/59/05/565905905.db2.gz NOEUFJQVGSFNRB-UHFFFAOYSA-N 1 0 393.294 2.598 20 0 GFADRO O=C(CCCc1cccc(Br)c1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000675485064 565906159 /nfs/dbraw/zinc/90/61/59/565906159.db2.gz FZSXBXFEDYKYTE-QGZVFWFLSA-N 1 0 395.341 2.953 20 0 GFADRO CO[C@@H](CC(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1)C(F)(F)F ZINC000651947995 565906672 /nfs/dbraw/zinc/90/66/72/565906672.db2.gz ZUAZGRLSOPTMMP-MCIGGMRASA-N 1 0 376.341 2.875 20 0 GFADRO C[C@@H](NC(=O)NCCOc1ncc(Cl)cc1Cl)C1CC[NH+](C)CC1 ZINC000675554506 565909395 /nfs/dbraw/zinc/90/93/95/565909395.db2.gz MQTSRRULKMVCIU-LLVKDONJSA-N 1 0 375.300 2.797 20 0 GFADRO COCC[N@@H+]1CCN(Cc2cn3ccc(Br)cc3n2)C(C)(C)C1 ZINC000652035878 565912204 /nfs/dbraw/zinc/91/22/04/565912204.db2.gz LAVITTFWWHLMID-UHFFFAOYSA-N 1 0 381.318 2.639 20 0 GFADRO C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CC[C@]1(O)CCCOC1 ZINC000652046152 565912989 /nfs/dbraw/zinc/91/29/89/565912989.db2.gz NRQDFVOKBGOWQP-SUMWQHHRSA-N 1 0 385.302 2.687 20 0 GFADRO O=C(NCCC1CC[NH2+]CC1)N[C@@H]1CCN(c2ccccc2Br)C1 ZINC000652150344 565917695 /nfs/dbraw/zinc/91/76/95/565917695.db2.gz SYQHLYAXBJTWFZ-OAHLLOKOSA-N 1 0 395.345 2.717 20 0 GFADRO CCO[C@@H]1CN(C(=O)NCCOCc2ccc(Cl)cc2Cl)C[C@H]1C[NH3+] ZINC000652176557 565918384 /nfs/dbraw/zinc/91/83/84/565918384.db2.gz KAPLMCIGHQDMIF-CZUORRHYSA-N 1 0 390.311 2.515 20 0 GFADRO [NH3+]CC1(CCNC(=O)NCc2cnn(-c3ccc(Br)cc3)c2)CC1 ZINC000652183601 565918938 /nfs/dbraw/zinc/91/89/38/565918938.db2.gz FURLQVVDSJBJPU-UHFFFAOYSA-N 1 0 392.301 2.563 20 0 GFADRO OC[C@]1([NH2+]Cc2cncc(Br)c2)CCCN(Cc2ccccc2)C1 ZINC000603939000 565919159 /nfs/dbraw/zinc/91/91/59/565919159.db2.gz YINJJGIPWVFSNH-IBGZPJMESA-N 1 0 390.325 2.961 20 0 GFADRO Clc1ccc2c(c1Cl)CC[C@H]2[NH2+][C@H]1CCN(CCN2CCOCC2)C1 ZINC000675886641 565920127 /nfs/dbraw/zinc/92/01/27/565920127.db2.gz KEFQTQPPTJKLRJ-KBXCAEBGSA-N 1 0 384.351 2.977 20 0 GFADRO COc1ccc(Br)cc1CN(C)C(=O)NCCC1CC[NH2+]CC1 ZINC000652309298 565921684 /nfs/dbraw/zinc/92/16/84/565921684.db2.gz QMSGGLAZYGDDEN-UHFFFAOYSA-N 1 0 384.318 2.989 20 0 GFADRO Cc1cccc(NC(=O)C(=O)N(C)CC[NH+]2CCCCC2)c1Br ZINC000652291042 565922220 /nfs/dbraw/zinc/92/22/20/565922220.db2.gz CJPWLXXBGNDUPI-UHFFFAOYSA-N 1 0 382.302 2.640 20 0 GFADRO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCN(CC(=O)Nc3ccccc3Br)C2)C1 ZINC000652345439 565922673 /nfs/dbraw/zinc/92/26/73/565922673.db2.gz BWJPNCUELRBTER-JJRVBVJISA-N 1 0 396.329 2.606 20 0 GFADRO C[C@H]1CCCN(CCS(=O)(=O)c2cccc(Br)c2)[C@H]1CC[NH3+] ZINC000652354535 565923308 /nfs/dbraw/zinc/92/33/08/565923308.db2.gz BOTOUCPRWMYCGV-BBRMVZONSA-N 1 0 389.359 2.672 20 0 GFADRO CCO[C@@H]1CN(Cc2coc(-c3ccc(Br)cc3)n2)C[C@H]1C[NH3+] ZINC000652357022 565924506 /nfs/dbraw/zinc/92/45/06/565924506.db2.gz WXJGFNHCJJEIJF-CZUORRHYSA-N 1 0 380.286 2.900 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(S(=O)(=O)c3cc(Cl)cc(Cl)c3)C2)C1 ZINC000652375000 565925298 /nfs/dbraw/zinc/92/52/98/565925298.db2.gz GVCAKMITZKGLHP-XFJVYGCCSA-N 1 0 393.336 2.900 20 0 GFADRO COc1cc(S(=O)(=O)N2CCC[C@H](C)[C@@H]2CC[NH3+])ccc1Br ZINC000652377305 565925426 /nfs/dbraw/zinc/92/54/26/565925426.db2.gz DQMCXBVIKABNTR-FZMZJTMJSA-N 1 0 391.331 2.596 20 0 GFADRO COCC[NH2+]C1CCN(S(=O)(=O)c2c(C)c(Cl)cc(C)c2Cl)CC1 ZINC000652373944 565925630 /nfs/dbraw/zinc/92/56/30/565925630.db2.gz FMUJZNVPUNUNPN-UHFFFAOYSA-N 1 0 395.352 2.999 20 0 GFADRO C[C@H]1CCCN(S(=O)(=O)N(C)Cc2c(F)cccc2Cl)[C@H]1CC[NH3+] ZINC000652377293 565925720 /nfs/dbraw/zinc/92/57/20/565925720.db2.gz DKYGHBGVBNLAHR-LRDDRELGSA-N 1 0 377.913 2.605 20 0 GFADRO Cc1cccc(S(=O)(=O)N2CCC[C@@H](C)[C@@H]2CC[NH3+])c1Br ZINC000652377208 565925788 /nfs/dbraw/zinc/92/57/88/565925788.db2.gz ABECTJVGOXKPFW-YPMHNXCESA-N 1 0 375.332 2.896 20 0 GFADRO C[NH+](C)CCOC1CCN(C(=O)NCc2ccc(Br)cc2)CC1 ZINC000604194574 565926294 /nfs/dbraw/zinc/92/62/94/565926294.db2.gz QQAGMPHNHICPSB-UHFFFAOYSA-N 1 0 384.318 2.701 20 0 GFADRO C[C@H]1CCCN(S(=O)(=O)Cc2ccc(Br)cc2)[C@H]1CC[NH3+] ZINC000652377527 565926607 /nfs/dbraw/zinc/92/66/07/565926607.db2.gz JMCNFPRBAQXNQX-WFASDCNBSA-N 1 0 375.332 2.728 20 0 GFADRO COc1ccc(Br)c(CNC(=O)N(C)C[C@H]2CCC[N@H+](C)C2)c1 ZINC000604642128 565934115 /nfs/dbraw/zinc/93/41/15/565934115.db2.gz KAHMMKAJVWMNCL-ZDUSSCGKSA-N 1 0 384.318 2.941 20 0 GFADRO COc1c(Cl)cc(NC(=O)C(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)cc1Cl ZINC000652628675 565935857 /nfs/dbraw/zinc/93/58/57/565935857.db2.gz JFHLOVRWACAJIJ-BTDLBPIBSA-N 1 0 386.279 2.528 20 0 GFADRO Cc1cc(S(=O)(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)c(C)cc1Br ZINC000604887460 565939421 /nfs/dbraw/zinc/93/94/21/565939421.db2.gz HPLCZBQAVJHISK-CABCVRRESA-N 1 0 387.343 2.971 20 0 GFADRO O[C@@H]1CCC[C@H]1[NH+]1CCC(NCc2ncc(Br)cc2Cl)CC1 ZINC000631090646 565939951 /nfs/dbraw/zinc/93/99/51/565939951.db2.gz HPLIQCXZARTTBE-HZPDHXFCSA-N 1 0 388.737 2.965 20 0 GFADRO C[C@@H](Cc1cc(Br)ccc1F)[NH2+]Cc1cn(C[C@H]2CCOC2)nn1 ZINC000631104444 565941625 /nfs/dbraw/zinc/94/16/25/565941625.db2.gz DACOKHQDUJLNBC-QWHCGFSZSA-N 1 0 397.292 2.937 20 0 GFADRO NS(=O)(=O)c1cc(C[NH2+][C@@H]2CCO[C@@H](c3ccccc3)C2)ccc1Cl ZINC000631113969 565942860 /nfs/dbraw/zinc/94/28/60/565942860.db2.gz TYEDMEFSJCZMEX-NVXWUHKLSA-N 1 0 380.897 2.997 20 0 GFADRO CC[C@H](Cc1cccc(Br)c1)C(=O)N1CCN(CC[NH+](C)C)CC1 ZINC000604972987 565943108 /nfs/dbraw/zinc/94/31/08/565943108.db2.gz QUZPPCSQPVWJJG-QGZVFWFLSA-N 1 0 396.373 2.724 20 0 GFADRO C[C@H]1C[NH+](CCCNC(=O)NCCc2ccc(Br)cc2)C[C@H](C)O1 ZINC000605011951 565943895 /nfs/dbraw/zinc/94/38/95/565943895.db2.gz KQAFQXZODAPRCM-GJZGRUSLSA-N 1 0 398.345 2.790 20 0 GFADRO COc1cc(C[NH2+]CC2(CS(C)(=O)=O)CCC2)c(F)cc1Br ZINC000631158882 565945410 /nfs/dbraw/zinc/94/54/10/565945410.db2.gz JCZMQRIRFGGZQM-UHFFFAOYSA-N 1 0 394.306 2.901 20 0 GFADRO CC(C)n1ncnc1C[NH2+]C[C@H](CO)Cc1cc(Br)ccc1F ZINC000631153402 565945689 /nfs/dbraw/zinc/94/56/89/565945689.db2.gz VAGJLDLTHSXVES-GFCCVEGCSA-N 1 0 385.281 2.701 20 0 GFADRO OCCOC1(C[NH2+]Cc2ccncc2Br)CCC(F)(F)CC1 ZINC000631180667 565947043 /nfs/dbraw/zinc/94/70/43/565947043.db2.gz HSRDXKISEFPBPX-UHFFFAOYSA-N 1 0 379.245 2.891 20 0 GFADRO C[N@@H+]1CCCN(CCCNC(=O)c2oc3ccccc3c2Br)CC1 ZINC000631278300 565952505 /nfs/dbraw/zinc/95/25/05/565952505.db2.gz VKHYZBYVCBUKBD-UHFFFAOYSA-N 1 0 394.313 2.953 20 0 GFADRO O=C(c1cc(Cl)cc(Cl)c1)N1CCN(C(=O)[C@@H]2CCC[NH2+]CC2)CC1 ZINC000653064899 565953381 /nfs/dbraw/zinc/95/33/81/565953381.db2.gz KEUSLZSJXYYTGQ-CYBMUJFWSA-N 1 0 384.307 2.668 20 0 GFADRO O=C([C@@H]1CC[C@@H](C2CC2)[NH2+]1)N1CCO[C@H](c2cccc(Br)c2)C1 ZINC000653080591 565953967 /nfs/dbraw/zinc/95/39/67/565953967.db2.gz LTTNABJBJCQFAA-ULQDDVLXSA-N 1 0 379.298 2.880 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653082002 565954385 /nfs/dbraw/zinc/95/43/85/565954385.db2.gz FYMZZGQFGONXAN-HZPDHXFCSA-N 1 0 394.313 2.733 20 0 GFADRO O[C@@H](COc1ccc(Cl)c(Cl)c1)C[N@@H+]1CCC[C@@H](Cn2ccnn2)C1 ZINC000676899689 565954518 /nfs/dbraw/zinc/95/45/18/565954518.db2.gz DJLMJYNAUNEVGK-ZIAGYGMSSA-N 1 0 385.295 2.737 20 0 GFADRO C[N@H+](Cc1cn2cc(Br)ccc2n1)CC(C)(C)CN1CCOCC1 ZINC000676904366 565954740 /nfs/dbraw/zinc/95/47/40/565954740.db2.gz SNYNVNPXGNCFHQ-UHFFFAOYSA-N 1 0 395.345 2.887 20 0 GFADRO O=C(NCc1noc(-c2cccc(Br)c2)n1)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653160605 565956151 /nfs/dbraw/zinc/95/61/51/565956151.db2.gz OSMVWEXNDLQWER-KBPBESRZSA-N 1 0 391.269 2.646 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)[C@H]3CCOc4ccc(Br)cc43)C[C@H]21 ZINC000653129509 565956533 /nfs/dbraw/zinc/95/65/33/565956533.db2.gz YCTWWIIVPPCWFB-WXYCVUISSA-N 1 0 379.298 2.901 20 0 GFADRO O=C([C@@H]1CC[C@H](C2CC2)[NH2+]1)N1CCN(Cc2ccc(Br)cc2)CC1 ZINC000653168186 565957402 /nfs/dbraw/zinc/95/74/02/565957402.db2.gz SGFPWBGDCJXUJA-MSOLQXFVSA-N 1 0 392.341 2.624 20 0 GFADRO COCC[N@@H+]1CC[C@@H](NC(=O)NCCCOc2ccc(Cl)cc2Cl)C1 ZINC000605882229 565957741 /nfs/dbraw/zinc/95/77/41/565957741.db2.gz OLOFXGXRVZOALU-CQSZACIVSA-N 1 0 390.311 2.782 20 0 GFADRO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCN(C(=O)c3cc(Br)ccc3F)C2)C1 ZINC000653190892 565958422 /nfs/dbraw/zinc/95/84/22/565958422.db2.gz PMZMSJIFLLGNET-AXAPSJFSSA-N 1 0 385.277 2.947 20 0 GFADRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1ccc2cncc(Br)c2n1 ZINC000631465165 565958822 /nfs/dbraw/zinc/95/88/22/565958822.db2.gz LXLKHVRNWQSWHB-NHYWBVRUSA-N 1 0 377.286 2.805 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+][C@@H]2CCc3c2cccc3Br)s1 ZINC000677138278 565961165 /nfs/dbraw/zinc/96/11/65/565961165.db2.gz GVINTXYZEBTPLI-CYBMUJFWSA-N 1 0 387.324 2.935 20 0 GFADRO Brc1c[nH]nc1CNCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000606470493 565966038 /nfs/dbraw/zinc/96/60/38/565966038.db2.gz XVYYMVVXGYTUAT-UHFFFAOYSA-N 1 0 379.302 2.937 20 0 GFADRO O=C(NCc1n[nH]cc1Br)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000606511120 565967618 /nfs/dbraw/zinc/96/76/18/565967618.db2.gz DYYQQIYDGCYNFL-MRXNPFEDSA-N 1 0 392.301 2.809 20 0 GFADRO C[C@H]([NH2+][C@@H]1[C@H]2Cc3cc(Br)ccc3[C@@H]12)C1CCS(=O)(=O)CC1 ZINC000631701022 565968867 /nfs/dbraw/zinc/96/88/67/565968867.db2.gz GEKUDVCLIZQEEL-YQMWTZAJSA-N 1 0 384.339 2.890 20 0 GFADRO [NH3+]C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)c1c(Cl)cccc1Cl)C2=O ZINC000653548200 565971363 /nfs/dbraw/zinc/97/13/63/565971363.db2.gz RCLNMBPVCLWVQA-BMLIUANNSA-N 1 0 384.263 2.616 20 0 GFADRO CN(CCCC[NH+](C)C)S(=O)(=O)c1cc(F)c(Br)cc1F ZINC000677421787 565973901 /nfs/dbraw/zinc/97/39/01/565973901.db2.gz YWHQNGFJRGXBIR-UHFFFAOYSA-N 1 0 385.274 2.690 20 0 GFADRO C[C@@H](NS(=O)(=O)CCCN1CC[NH+](C)CC1)c1cc(Cl)ccc1Cl ZINC000631817345 565976947 /nfs/dbraw/zinc/97/69/47/565976947.db2.gz ZJHKBDHUYJWTJU-CYBMUJFWSA-N 1 0 394.368 2.611 20 0 GFADRO O=C(CCc1cc(Br)ccc1F)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000677567983 565978336 /nfs/dbraw/zinc/97/83/36/565978336.db2.gz MFQMBZOETNAZRT-MRXNPFEDSA-N 1 0 399.304 2.890 20 0 GFADRO C[C@H](NC(=O)CN1CCC[C@H]2C[NH2+]CC[C@H]21)c1ccc(Br)cc1 ZINC000631885923 565981183 /nfs/dbraw/zinc/98/11/83/565981183.db2.gz FEDLCQYCTDUYSC-JLJPHGGASA-N 1 0 380.330 2.700 20 0 GFADRO COCC[N@H+](CCC(=O)Nc1ccc(Cl)cc1F)C[C@@H](O)C(F)(F)F ZINC000653790571 565982507 /nfs/dbraw/zinc/98/25/07/565982507.db2.gz RGFADXPFGYNZQN-CYBMUJFWSA-N 1 0 386.773 2.679 20 0 GFADRO O=C(NCc1ccc(Cl)s1)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000607408307 565984370 /nfs/dbraw/zinc/98/43/70/565984370.db2.gz HCKYQFRLFVMZKS-SFHVURJKSA-N 1 0 379.913 2.838 20 0 GFADRO O=S(=O)(c1cscc1Br)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000631940061 565984527 /nfs/dbraw/zinc/98/45/27/565984527.db2.gz OHRXRLZBALKJLD-NEPJUHHUSA-N 1 0 393.372 2.911 20 0 GFADRO CC(C)[C@H](NS(=O)(=O)CCCN1CC[NH+](C)CC1)c1ccccc1Cl ZINC000631972507 565988213 /nfs/dbraw/zinc/98/82/13/565988213.db2.gz FWNZSHVIWSDZED-SFHVURJKSA-N 1 0 387.977 2.594 20 0 GFADRO C[C@H]1C[C@H](N(C)S(=O)(=O)c2c[nH]c(=O)s2)CC[N@@H+]1Cc1ccccc1 ZINC000631997042 565989739 /nfs/dbraw/zinc/98/97/39/565989739.db2.gz QGANUEKPJAXNPU-DZGCQCFKSA-N 1 0 381.523 2.522 20 0 GFADRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(F)c(Br)c2)C(=O)N1c1cnn(C)c1 ZINC000608077117 566003860 /nfs/dbraw/zinc/00/38/60/566003860.db2.gz VAQDQRUJEWYHMH-MEBBXXQBSA-N 1 0 381.249 2.605 20 0 GFADRO O=C(Nc1ccc(F)c(Br)c1)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000608336060 566010888 /nfs/dbraw/zinc/01/08/88/566010888.db2.gz LLIAXKRWZQUNIV-CABCVRRESA-N 1 0 386.265 2.651 20 0 GFADRO O=C(NCc1ccc(O)c(Br)c1)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000654496461 566012536 /nfs/dbraw/zinc/01/25/36/566012536.db2.gz UTYRPNDVZLXSFZ-HUUCEWRRSA-N 1 0 382.302 2.971 20 0 GFADRO O=C(NCc1ccc(O)c(Br)c1)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000654496460 566012820 /nfs/dbraw/zinc/01/28/20/566012820.db2.gz UTYRPNDVZLXSFZ-GJZGRUSLSA-N 1 0 382.302 2.971 20 0 GFADRO C[C@H](C[NH2+][C@@H]1CCN(C2CCOCC2)C1=O)c1cccc(Br)c1 ZINC000678936606 566025718 /nfs/dbraw/zinc/02/57/18/566025718.db2.gz SNNDFIAORHOOOX-CXAGYDPISA-N 1 0 381.314 2.922 20 0 GFADRO CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cc(Br)ccc1OC ZINC000632408078 566029306 /nfs/dbraw/zinc/02/93/06/566029306.db2.gz RSGGVVNXKZIDRY-UHFFFAOYSA-N 1 0 391.331 2.563 20 0 GFADRO CSc1cc(Br)ccc1C(=O)NC1(CCO)CC[NH+](C)CC1 ZINC000654985632 566034052 /nfs/dbraw/zinc/03/40/52/566034052.db2.gz CXWOHQGDGVJVBT-UHFFFAOYSA-N 1 0 387.343 2.748 20 0 GFADRO CC[NH+](CC)CC[C@H](CO)NC(=O)c1c[nH]c2ccc(Br)cc21 ZINC000655047641 566037753 /nfs/dbraw/zinc/03/77/53/566037753.db2.gz FAUOLCGDMXCISK-CYBMUJFWSA-N 1 0 382.302 2.753 20 0 GFADRO O=C(N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)C1(c2cccc(Br)c2)CCCC1 ZINC000655300111 566050642 /nfs/dbraw/zinc/05/06/42/566050642.db2.gz YYJVVUUEPMOAIS-DLBZAZTESA-N 1 0 393.325 2.538 20 0 GFADRO O=C(NC1(c2ccc(Br)cc2)CCOCC1)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000655429315 566056430 /nfs/dbraw/zinc/05/64/30/566056430.db2.gz QODOQGWHWIXPRX-AEFFLSMTSA-N 1 0 393.325 2.961 20 0 GFADRO O[C@@H](COc1ccc(Br)cc1)C[NH+]1CCC([C@@H]2CCOC2)CC1 ZINC000680088244 566061501 /nfs/dbraw/zinc/06/15/01/566061501.db2.gz UAVRJGNIRYGKGY-NVXWUHKLSA-N 1 0 384.314 2.937 20 0 GFADRO COC1CC[NH+](CCNCc2cn(-c3ccc(Cl)c(Cl)c3)nn2)CC1 ZINC000680127111 566063459 /nfs/dbraw/zinc/06/34/59/566063459.db2.gz NNTRORYGJYKAAH-UHFFFAOYSA-N 1 0 384.311 2.775 20 0 GFADRO COCC[N@@H+]1CCC[C@H](NC(=O)CCc2cc(F)ccc2Br)C1 ZINC000680189928 566064576 /nfs/dbraw/zinc/06/45/76/566064576.db2.gz LDIAZPPKRMLVEK-HNNXBMFYSA-N 1 0 387.293 2.748 20 0 GFADRO CN(Cc1ccc(Br)c(F)c1)C(=O)c1cnn(CC[NH+](C)C)c1 ZINC000632757603 566065792 /nfs/dbraw/zinc/06/57/92/566065792.db2.gz WSDNENJPUUNGDT-UHFFFAOYSA-N 1 0 383.265 2.619 20 0 GFADRO C[C@H]1C[NH+](CCCNc2ncccc2I)C[C@H](C)O1 ZINC000610129274 566067316 /nfs/dbraw/zinc/06/73/16/566067316.db2.gz VHJXOAXRCUTPLZ-RYUDHWBXSA-N 1 0 375.254 2.597 20 0 GFADRO CS[C@H](CO)[C@@H](C)NC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000610099790 566067448 /nfs/dbraw/zinc/06/74/48/566067448.db2.gz OBVCZTHVVKFBSW-XOKHGSTOSA-N 1 0 385.961 2.889 20 0 GFADRO [NH3+]C[C@@H]1Cc2ccccc2N(C(=O)COc2ccccc2Br)C1 ZINC000632867725 566072418 /nfs/dbraw/zinc/07/24/18/566072418.db2.gz GOEWEEPFNZVLII-ZDUSSCGKSA-N 1 0 375.266 2.992 20 0 GFADRO O=C(Nc1cc(F)ccc1SCC(F)F)N1CCC([NH2+]CCO)CC1 ZINC000632937695 566075167 /nfs/dbraw/zinc/07/51/67/566075167.db2.gz YVVXHRJADCNJPG-UHFFFAOYSA-N 1 0 377.432 2.761 20 0 GFADRO COc1ccc(CN2CCC[N@H+](C[C@@H]3CCCO3)CC2)c(Br)c1O ZINC000680650708 566078804 /nfs/dbraw/zinc/07/88/04/566078804.db2.gz OYZQSSHSSDCYBY-HNNXBMFYSA-N 1 0 399.329 2.850 20 0 GFADRO COC(=O)[C@H](c1ccc(Cl)cc1Cl)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000610390824 566079699 /nfs/dbraw/zinc/07/96/99/566079699.db2.gz NUIYTMZSFBVIBI-ZACQAIPSSA-N 1 0 387.307 2.739 20 0 GFADRO C[NH+](C)CCn1cc(C(=O)N[C@@H](CCO)c2ccc(Cl)c(Cl)c2)cn1 ZINC000633031407 566079687 /nfs/dbraw/zinc/07/96/87/566079687.db2.gz LYUZPZKMXDDJLQ-INIZCTEOSA-N 1 0 385.295 2.605 20 0 GFADRO O=S(=O)(Cc1ccc(Br)cc1)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000655670423 566081952 /nfs/dbraw/zinc/08/19/52/566081952.db2.gz ZTSCUFSEVOEIOM-HOTGVXAUSA-N 1 0 387.343 2.885 20 0 GFADRO O=S(=O)(N[C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1cc(F)ccc1OC(F)F ZINC000655669403 566082125 /nfs/dbraw/zinc/08/21/25/566082125.db2.gz ZOUSFUVVMXEFFE-STQMWFEESA-N 1 0 378.416 2.722 20 0 GFADRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1cc(Br)c2nccn2c1 ZINC000633065775 566082452 /nfs/dbraw/zinc/08/24/52/566082452.db2.gz RDJDHHWQRLVICJ-WFASDCNBSA-N 1 0 377.286 2.796 20 0 GFADRO C[N@@H+]1CCC[C@H](CNC(=O)N[C@@H]2[C@H]3Cc4cc(Br)ccc4[C@@H]23)C1 ZINC000633085988 566082478 /nfs/dbraw/zinc/08/24/78/566082478.db2.gz IXBOPFHJTHISHM-GLZXHMCRSA-N 1 0 378.314 2.728 20 0 GFADRO Cc1nn(-c2cccc(Br)c2)cc1C[NH2+]CCN1CCOC[C@H]1C ZINC000655730996 566083472 /nfs/dbraw/zinc/08/34/72/566083472.db2.gz UCVKVIIJFNJQNQ-CQSZACIVSA-N 1 0 393.329 2.754 20 0 GFADRO CN1CC[NH+]([C@H]2CC[C@@H](NC(=O)c3cccc(Br)c3)CC2)CC1 ZINC000680842516 566083549 /nfs/dbraw/zinc/08/35/49/566083549.db2.gz LGBRTYKXLVQGMO-CALCHBBNSA-N 1 0 380.330 2.738 20 0 GFADRO C[C@@H]1CCC[N@H+](CCCCNC(=O)Nc2cn(C)cc(Br)c2=O)C1 ZINC000680846953 566083803 /nfs/dbraw/zinc/08/38/03/566083803.db2.gz DFFMFVFJKKWSAB-CYBMUJFWSA-N 1 0 399.333 2.781 20 0 GFADRO Brc1ccccc1N1CC[C@@H]([NH2+]C2CCN([C@@H]3CCOC3)CC2)C1 ZINC000655710586 566084423 /nfs/dbraw/zinc/08/44/23/566084423.db2.gz AHWIMCMYOIQSKI-IAGOWNOFSA-N 1 0 394.357 2.871 20 0 GFADRO OC[C@H](C[NH2+]Cc1cc2n(n1)CCCC2)Cc1cccc(Br)c1 ZINC000655765638 566086748 /nfs/dbraw/zinc/08/67/48/566086748.db2.gz IGAVFEQQAWGFJP-HNNXBMFYSA-N 1 0 378.314 2.923 20 0 GFADRO CO[C@@]1(C[NH2+]Cc2cn(-c3cccc(Br)c3)nc2C)CCOC1 ZINC000655759994 566086914 /nfs/dbraw/zinc/08/69/14/566086914.db2.gz JSFLVXOZTGIVAV-QGZVFWFLSA-N 1 0 380.286 2.838 20 0 GFADRO Cc1nn(-c2cccc(Br)c2)cc1C[NH2+]CC[C@@]1(O)CCCOC1 ZINC000655799738 566089830 /nfs/dbraw/zinc/08/98/30/566089830.db2.gz OBCJOTSOEBGHJL-SFHVURJKSA-N 1 0 394.313 2.964 20 0 GFADRO C[C@H](c1ccccc1)[C@H](CO)[NH2+]CC(=O)Nc1ccc(Br)cn1 ZINC000680988403 566090627 /nfs/dbraw/zinc/09/06/27/566090627.db2.gz AYDDNJIXZZHTQK-DOMZBBRYSA-N 1 0 378.270 2.537 20 0 GFADRO C[C@H]1CN(C(=O)c2ccc3cncc(Br)c3n2)CC[N@@H+](C2CC2)C1 ZINC000633259982 566091989 /nfs/dbraw/zinc/09/19/89/566091989.db2.gz SEKMUPLUTXSIDS-GFCCVEGCSA-N 1 0 389.297 2.949 20 0 GFADRO O=C(NC[C@H]1CCCC[N@H+]1CCO)c1oc2ccccc2c1Br ZINC000633255851 566092115 /nfs/dbraw/zinc/09/21/15/566092115.db2.gz FDLCQGISPOXMHS-GFCCVEGCSA-N 1 0 381.270 2.772 20 0 GFADRO C[C@@H](NC(=O)CCn1cc(Br)cn1)[C@@H](c1ccccc1)[NH+](C)C ZINC000681145107 566095482 /nfs/dbraw/zinc/09/54/82/566095482.db2.gz CVAMQKRVKCAMHL-DYVFJYSZSA-N 1 0 379.302 2.843 20 0 GFADRO Cc1ccc(Cl)cc1N1CC[C@H](CNC(=O)N[C@@H](C[NH3+])C(F)(F)F)C1 ZINC000655913861 566095550 /nfs/dbraw/zinc/09/55/50/566095550.db2.gz BZEQGLCNFTUHPT-RISCZKNCSA-N 1 0 378.826 2.664 20 0 GFADRO Cc1nc(-c2ccc(CCNC(=O)N[C@H](C[NH3+])C(F)(F)F)s2)cs1 ZINC000655912037 566095577 /nfs/dbraw/zinc/09/55/77/566095577.db2.gz JGTRJIQULWZEHP-GFCCVEGCSA-N 1 0 378.445 2.911 20 0 GFADRO COc1cc(Br)ccc1CCCNC(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000655925054 566096202 /nfs/dbraw/zinc/09/62/02/566096202.db2.gz VQOHIHPUIVNLSL-LBPRGKRZSA-N 1 0 398.223 2.579 20 0 GFADRO CC[C@H](C[NH+]1CCCC1)NS(=O)(=O)c1ccc(Br)cc1C ZINC000681155310 566096329 /nfs/dbraw/zinc/09/63/29/566096329.db2.gz UCDATRGMKABEMD-CQSZACIVSA-N 1 0 375.332 2.910 20 0 GFADRO C[C@H](NC(=O)N1CCC[N@@H+](C2CCCC2)CC1)c1ncc(Br)cn1 ZINC000655962179 566099345 /nfs/dbraw/zinc/09/93/45/566099345.db2.gz JGLBSHZMHXQDAN-ZDUSSCGKSA-N 1 0 396.333 2.960 20 0 GFADRO C[N@@H+]1CCCC[C@@H]1C(=O)N1CCO[C@@H](c2ccc(F)c(Br)c2)C1 ZINC000681363825 566103833 /nfs/dbraw/zinc/10/38/33/566103833.db2.gz ZUOZVGAEOZEOOT-HZPDHXFCSA-N 1 0 385.277 2.972 20 0 GFADRO COc1c(C)ncnc1N1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000656115894 566104310 /nfs/dbraw/zinc/10/43/10/566104310.db2.gz IMHIANASFFVZTB-UHFFFAOYSA-N 1 0 391.269 2.519 20 0 GFADRO C[C@H](C[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Cl)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656153055 566106613 /nfs/dbraw/zinc/10/66/13/566106613.db2.gz MWZFOSXTERHTGA-HGTKMLMNSA-N 1 0 391.339 2.820 20 0 GFADRO Cc1nocc1C(=O)Nc1cc(Br)ccc1N(C)CC[NH+](C)C ZINC000633492514 566106807 /nfs/dbraw/zinc/10/68/07/566106807.db2.gz PECAEHFIUQMJFT-UHFFFAOYSA-N 1 0 381.274 2.996 20 0 GFADRO O=C(Cc1ccc(Br)cc1)N1CCc2[nH]cnc2C12CCOCC2 ZINC000633524606 566107633 /nfs/dbraw/zinc/10/76/33/566107633.db2.gz LUOSFBXBSVSTGS-UHFFFAOYSA-N 1 0 390.281 2.805 20 0 GFADRO C[C@H]1C[C@H](NC(=O)c2cccc(F)c2I)C[N@@H+]1C1CC1 ZINC000611004280 566110258 /nfs/dbraw/zinc/11/02/58/566110258.db2.gz QMWAIPKKSRXNCU-UWVGGRQHSA-N 1 0 388.224 2.785 20 0 GFADRO Cc1nc(-c2ccc(C(=O)N3CCC([N@@H+]4CC[C@H](O)C4)CC3)s2)cs1 ZINC000633651260 566112625 /nfs/dbraw/zinc/11/26/25/566112625.db2.gz YMTDQAUTMYUBNP-AWEZNQCLSA-N 1 0 377.535 2.851 20 0 GFADRO O[C@@H]1C[C@H]2CN(c3ccnc4c(Cl)cc(Br)cc34)CC[N@@H+]2C1 ZINC000656218689 566114659 /nfs/dbraw/zinc/11/46/59/566114659.db2.gz FYRLUEMMLNPFQO-NWDGAFQWSA-N 1 0 382.689 2.906 20 0 GFADRO Fc1cc2c(cc1Br)[C@H](NC1CC[NH+]([C@H]3CCOC3)CC1)CO2 ZINC000656259273 566119251 /nfs/dbraw/zinc/11/92/51/566119251.db2.gz CMMCYEFAKRSRMH-BLLLJJGKSA-N 1 0 385.277 2.865 20 0 GFADRO Brc1cc(CN2CCC[C@@H]([NH+]3CCOCC3)CC2)cc2c1OCO2 ZINC000656281525 566122205 /nfs/dbraw/zinc/12/22/05/566122205.db2.gz ZDMVPNWEEIBHOT-OAHLLOKOSA-N 1 0 397.313 2.865 20 0 GFADRO C[C@@H](c1ccc([S@@](C)=O)cc1)[N@H+](C)Cc1cccc(NS(C)(=O)=O)c1 ZINC000611276955 566124028 /nfs/dbraw/zinc/12/40/28/566124028.db2.gz XVZRUMUEKYAOET-LFPIHBKWSA-N 1 0 380.535 2.989 20 0 GFADRO CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(SCC[NH+](C)C)n2CC ZINC000656496550 566129114 /nfs/dbraw/zinc/12/91/14/566129114.db2.gz PTIZGFCDSSKVHK-UHFFFAOYSA-N 1 0 384.571 2.740 20 0 GFADRO CC1(C)CN(Cc2cc(Br)cc3cccnc32)CC[N@@H+]1CCO ZINC000682034115 566140066 /nfs/dbraw/zinc/14/00/66/566140066.db2.gz WBWRCAGNMJJLEK-UHFFFAOYSA-N 1 0 378.314 2.886 20 0 GFADRO CCO[C@@H]1C[C@](CO)([NH2+]Cc2cn3cc(Br)ccc3n2)C1(C)C ZINC000682043359 566142123 /nfs/dbraw/zinc/14/21/23/566142123.db2.gz PUBPGEXYTQVFMI-RHSMWYFYSA-N 1 0 382.302 2.753 20 0 GFADRO CCC1([NH+](C)C)CCN(C(=O)CNC(=O)c2cccc(Br)c2)CC1 ZINC000634117911 566144179 /nfs/dbraw/zinc/14/41/79/566144179.db2.gz RGGIAQVRSYCYAS-UHFFFAOYSA-N 1 0 396.329 2.512 20 0 GFADRO O=S1(=O)CCCN1CCC[NH2+][C@@H](c1ccc(Br)s1)C1CC1 ZINC000682190783 566147123 /nfs/dbraw/zinc/14/71/23/566147123.db2.gz BAMQDIUTPFCARE-CQSZACIVSA-N 1 0 393.372 2.977 20 0 GFADRO CCO[C@H]1CCC[N@H+](C[C@@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000682187627 566147191 /nfs/dbraw/zinc/14/71/91/566147191.db2.gz XULLCHNSEHZKPL-CABCVRRESA-N 1 0 376.266 2.829 20 0 GFADRO CC(C)[NH2+][C@H]1CCCN(C[C@@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000682218115 566148424 /nfs/dbraw/zinc/14/84/24/566148424.db2.gz DCAHBZQMLLEJNO-JKSUJKDBSA-N 1 0 389.309 2.790 20 0 GFADRO OCC1([NH2+]C[C@H](O)COc2cc(F)cc(Br)c2)CCCCC1 ZINC000682219048 566148503 /nfs/dbraw/zinc/14/85/03/566148503.db2.gz NQMJNUNAOKZLQN-AWEZNQCLSA-N 1 0 376.266 2.613 20 0 GFADRO C[NH+]1CCC2(CCCN2C(=O)C(=O)Nc2ccc(F)c(Br)c2)CC1 ZINC000682291116 566150368 /nfs/dbraw/zinc/15/03/68/566150368.db2.gz UIHSOPKSSGMXEN-UHFFFAOYSA-N 1 0 398.276 2.614 20 0 GFADRO C[C@]([NH3+])(C(=O)Nc1nnc([C@H]2CCCO2)s1)c1ccc(Br)cc1 ZINC000634308064 566152170 /nfs/dbraw/zinc/15/21/70/566152170.db2.gz IJNZRSUUUBZLCO-IAQYHMDHSA-N 1 0 397.298 2.965 20 0 GFADRO COC[C@H]([NH2+][C@H](C)C(=O)Nc1ccc(Br)cc1)C1CCOCC1 ZINC000656679461 566154299 /nfs/dbraw/zinc/15/42/99/566154299.db2.gz IXTMRIBHTJTJSX-WBMJQRKESA-N 1 0 385.302 2.807 20 0 GFADRO CS(=O)(=O)CC1(CC[NH2+]C[C@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000656703323 566156131 /nfs/dbraw/zinc/15/61/31/566156131.db2.gz BUFBHJWRUJTNMK-ZDUSSCGKSA-N 1 0 396.336 2.538 20 0 GFADRO CS(=O)(=O)c1ccc(CN[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)s1 ZINC000656789040 566165208 /nfs/dbraw/zinc/16/52/08/566165208.db2.gz OGIIQBDKDRTVLI-CZUORRHYSA-N 1 0 386.489 2.665 20 0 GFADRO CC(C)[C@@H](C[NH2+][C@H](C(N)=O)c1cccc(Br)c1)c1ccnn1C ZINC000682612505 566165406 /nfs/dbraw/zinc/16/54/06/566165406.db2.gz CMANSNGSAULHRR-ZBFHGGJFSA-N 1 0 379.302 2.738 20 0 GFADRO O=C1N[C@H](c2ccccc2Br)C(=O)N1[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000656803815 566166607 /nfs/dbraw/zinc/16/66/07/566166607.db2.gz PHOQBLRUYYTOFY-IUODEOHRSA-N 1 0 378.270 2.526 20 0 GFADRO CS(=O)(=O)N1CCC([NH2+][C@H]2CCN(c3ccc(Cl)cc3Cl)C2)CC1 ZINC000682734402 566169686 /nfs/dbraw/zinc/16/96/86/566169686.db2.gz DDXBXRWPKWPOKU-AWEZNQCLSA-N 1 0 392.352 2.586 20 0 GFADRO C[C@H](NC(=O)c1cc(-c2ccc(Br)cc2)no1)[C@@H]1CN(C)CCO1 ZINC000612669459 566169755 /nfs/dbraw/zinc/16/97/55/566169755.db2.gz GWKXIYUMTJKWGS-ZBEGNZNMSA-N 1 0 394.269 2.553 20 0 GFADRO NC(=O)c1cccc(CC[NH2+]C[C@@H](O)COc2cc(Cl)cc(Cl)c2)c1 ZINC000634703368 566171163 /nfs/dbraw/zinc/17/11/63/566171163.db2.gz UZHATWFBEYWTKW-MRXNPFEDSA-N 1 0 383.275 2.664 20 0 GFADRO CC1(C)C[NH2+]CC[C@@H](NC(=O)c2ccc3cncc(Br)c3n2)C1 ZINC000634764842 566174226 /nfs/dbraw/zinc/17/42/26/566174226.db2.gz CXNNMKIMFNTSHC-GFCCVEGCSA-N 1 0 377.286 2.900 20 0 GFADRO CC[N@H+](C)Cc1cccc(CNS(=O)(=O)c2ncccc2Br)c1 ZINC000656883001 566174230 /nfs/dbraw/zinc/17/42/30/566174230.db2.gz LZSMSWIJOGOIQY-UHFFFAOYSA-N 1 0 398.326 2.774 20 0 GFADRO O=S(=O)(Cc1cc(F)ccc1Br)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000656892728 566176405 /nfs/dbraw/zinc/17/64/05/566176405.db2.gz GOUUTZUIEDBKHS-AWEZNQCLSA-N 1 0 391.306 2.588 20 0 GFADRO Cc1ccc(C(=O)NCCN2CCC([NH+](C)C)CC2)c(C)c1Br ZINC000682914428 566177050 /nfs/dbraw/zinc/17/70/50/566177050.db2.gz PTKFFGRLIIPSDE-UHFFFAOYSA-N 1 0 382.346 2.822 20 0 GFADRO COc1ccc([C@H](C)NC(=O)N[C@H]2CC23CC[NH2+]CC3)cc1Br ZINC000612964779 566180252 /nfs/dbraw/zinc/18/02/52/566180252.db2.gz TWTRYGFPZASCBN-NHYWBVRUSA-N 1 0 382.302 2.960 20 0 GFADRO COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000683010122 566180584 /nfs/dbraw/zinc/18/05/84/566180584.db2.gz WPMZPUVSQXHGBU-NSHDSACASA-N 1 0 386.279 2.541 20 0 GFADRO CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)Nc1cc(Cl)c(Cl)cc1OC ZINC000683023008 566182180 /nfs/dbraw/zinc/18/21/80/566182180.db2.gz NKUVJLABCKQFCT-LLVKDONJSA-N 1 0 388.295 2.931 20 0 GFADRO CC[N@@H+]1C[C@H](C)N(C(=O)c2cc(Br)cc3[nH]c(=O)[nH]c32)C[C@H]1C ZINC000613146934 566185951 /nfs/dbraw/zinc/18/59/51/566185951.db2.gz AHHFXDJKQVMCAS-ZJUUUORDSA-N 1 0 381.274 2.586 20 0 GFADRO O=C1CC[C@H]([NH2+][C@@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)CCN1 ZINC000634967926 566186215 /nfs/dbraw/zinc/18/62/15/566186215.db2.gz ALJZZTPVCOIBFN-NWDGAFQWSA-N 1 0 376.810 2.591 20 0 GFADRO Cc1cc(NC(=O)C(=O)N(C)CCCC[NH+](C)C)cc(C)c1Br ZINC000683165397 566186737 /nfs/dbraw/zinc/18/67/37/566186737.db2.gz IWRZHWGKRJQSFJ-UHFFFAOYSA-N 1 0 384.318 2.805 20 0 GFADRO O=C1N[C@H](c2ccc(Br)cc2)C(=O)N1[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000683284941 566192879 /nfs/dbraw/zinc/19/28/79/566192879.db2.gz FEJKUUPKXCEUOL-HUUCEWRRSA-N 1 0 378.270 2.526 20 0 GFADRO C[NH+](C)CC(=O)N1CCN(CCSc2cc(Cl)ccc2Cl)CC1 ZINC000613415734 566197442 /nfs/dbraw/zinc/19/74/42/566197442.db2.gz NJOHPFDLEMVPIW-UHFFFAOYSA-N 1 0 376.353 2.791 20 0 GFADRO C[NH+](C)CCOc1ccc(CCNC(=O)c2ncc(Br)s2)cc1 ZINC000683408491 566198664 /nfs/dbraw/zinc/19/86/64/566198664.db2.gz GRSGLFAYWFSZIR-UHFFFAOYSA-N 1 0 398.326 2.819 20 0 GFADRO CCCOc1ccc(Br)cc1S(=O)(=O)NC(C)(C)C[NH+](C)C ZINC000657009949 566205583 /nfs/dbraw/zinc/20/55/83/566205583.db2.gz KRTRWOYAKKFFKS-UHFFFAOYSA-N 1 0 393.347 2.856 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@@H](CNS(=O)(=O)Cc2ccc(Br)cc2)C1 ZINC000657032575 566209216 /nfs/dbraw/zinc/20/92/16/566209216.db2.gz BLBQFBQZGCCPJF-AWEZNQCLSA-N 1 0 389.359 2.989 20 0 GFADRO C[C@@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)c1cc2c(cc1Br)OCCO2 ZINC000635391785 566209979 /nfs/dbraw/zinc/20/99/79/566209979.db2.gz WAMDAHSINKONPN-NEPJUHHUSA-N 1 0 383.286 2.739 20 0 GFADRO Cc1cc(S(=O)(=O)NCC[NH2+]Cc2ccc3cnccc3c2)c(C)s1 ZINC000683773820 566214241 /nfs/dbraw/zinc/21/42/41/566214241.db2.gz WRGXBMTUBOKFQS-UHFFFAOYSA-N 1 0 375.519 2.981 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)C1(C[NH+](C)C)CC1 ZINC000635460737 566214866 /nfs/dbraw/zinc/21/48/66/566214866.db2.gz VCERDJDCZSGTAZ-UHFFFAOYSA-N 1 0 382.302 2.544 20 0 GFADRO C[NH+]1CCC(N2CC[C@H](NC(=O)c3cc(F)c(Cl)c(N)c3Cl)C2)CC1 ZINC000635549856 566218592 /nfs/dbraw/zinc/21/85/92/566218592.db2.gz AKBXJVAGEPWEFX-JTQLQIEISA-N 1 0 389.302 2.613 20 0 GFADRO CC(C)Oc1cc(Br)cc(C(=O)N2CCC[C@@](O)(C[NH+](C)C)C2)c1 ZINC000683914026 566218836 /nfs/dbraw/zinc/21/88/36/566218836.db2.gz SAXNHGCBAVRHNZ-GOSISDBHSA-N 1 0 399.329 2.765 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+]C[C@@H]1CCCC(=O)N1 ZINC000683933143 566219636 /nfs/dbraw/zinc/21/96/36/566219636.db2.gz POLMMIOYNCWMPO-HNNXBMFYSA-N 1 0 377.286 2.702 20 0 GFADRO O=S(=O)(NCC1CC[NH+](Cc2ccncc2)CC1)c1sccc1Cl ZINC000657107890 566223996 /nfs/dbraw/zinc/22/39/96/566223996.db2.gz JHPWRYJSICEHQC-UHFFFAOYSA-N 1 0 385.942 2.987 20 0 GFADRO CC[C@@H](Cc1cccc(Br)c1)C(=O)N1CCC[C@](O)(C[NH+](C)C)C1 ZINC000684176042 566229417 /nfs/dbraw/zinc/22/94/17/566229417.db2.gz SMWAHEPXCBNUQB-LPHOPBHVSA-N 1 0 397.357 2.933 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)N2CCOc3c(Br)cccc3C2)C[N@@H+]1C1CC1 ZINC000684273292 566232097 /nfs/dbraw/zinc/23/20/97/566232097.db2.gz YTQQWDRAGMLQMH-OCCSQVGLSA-N 1 0 394.313 2.978 20 0 GFADRO C[C@H](O)C[N@@H+]1CCN(C(=O)Cc2ccc(Br)c(Cl)c2)[C@H](C)C1 ZINC000684481087 566236557 /nfs/dbraw/zinc/23/65/57/566236557.db2.gz APXLWPNEFCXVIC-NEPJUHHUSA-N 1 0 389.721 2.559 20 0 GFADRO C[C@H](NCC[N@@H+]1CC[C@H](C)C1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000684553125 566237885 /nfs/dbraw/zinc/23/78/85/566237885.db2.gz DNSRXUUCRBWMAP-QWRGUYRKSA-N 1 0 380.341 2.633 20 0 GFADRO C[C@H]([NH2+][C@H]1CC[C@@H](CO)CC1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000684551941 566238078 /nfs/dbraw/zinc/23/80/78/566238078.db2.gz CGVYCCKTFORULL-GARJFASQSA-N 1 0 381.325 2.843 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCN(c2ccccc2C(N)=O)C1)c1ccc(Br)cn1 ZINC000684553650 566238184 /nfs/dbraw/zinc/23/81/84/566238184.db2.gz SRKGJBGRZIQNKZ-GXTWGEPZSA-N 1 0 389.297 2.873 20 0 GFADRO COc1cccc(S(=O)(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)c1 ZINC000684572854 566238734 /nfs/dbraw/zinc/23/87/34/566238734.db2.gz XIQBZICYOMTOKG-OAHLLOKOSA-N 1 0 380.535 2.947 20 0 GFADRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)c1c(C)oc(-n2cccc2)c1-c1nn[nH]n1 ZINC000736399926 598825354 /nfs/dbraw/zinc/82/53/54/598825354.db2.gz LZOSMETYOFBDGK-OAHLLOKOSA-N 1 0 397.483 2.553 20 0 GFADRO C[C@H]([NH2+]C1(CNc2ccc(-c3nn[nH]n3)cn2)CCOCC1)c1ccccc1 ZINC000736129032 598831437 /nfs/dbraw/zinc/83/14/37/598831437.db2.gz AHISDPDMULGXRV-HNNXBMFYSA-N 1 0 379.468 2.574 20 0 GFADRO CN(C(=O)Nc1ccc(-c2nn[nH]n2)cc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000736746810 598838901 /nfs/dbraw/zinc/83/89/01/598838901.db2.gz BXTPQOFDUCTEDK-UHFFFAOYSA-N 1 0 391.479 2.995 20 0 GFADRO COc1ccc(C[N@H+](C)Cn2c(C)nnc2-c2cccc(-c3nn[nH]n3)c2)cc1 ZINC000737090916 598849530 /nfs/dbraw/zinc/84/95/30/598849530.db2.gz WGIDZOFKFDIAML-UHFFFAOYSA-N 1 0 390.451 2.532 20 0 GFADRO Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)n1C[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000737523198 598851490 /nfs/dbraw/zinc/85/14/90/598851490.db2.gz HPIBZLFNUFVZMG-LJQANCHMSA-N 1 0 386.463 2.881 20 0 GFADRO C[C@@H]1CC[C@@H](NC(=O)N(CC[NH+](C)C)Cc2ccc(-c3nn[nH]n3)cc2)[C@@H](C)C1 ZINC000736241501 598853940 /nfs/dbraw/zinc/85/39/40/598853940.db2.gz PGYFSTGIXFENDM-JTDSTZFVSA-N 1 0 399.543 2.765 20 0 GFADRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000736267850 598868071 /nfs/dbraw/zinc/86/80/71/598868071.db2.gz PPRLFWNBIIZHMC-WMZOPIPTSA-N 1 0 382.512 2.522 20 0 GFADRO C[C@@H]([NH2+]C1(CNCc2ccc(-c3nn[nH]n3)cc2)CCOCC1)c1ccccc1 ZINC000736132927 598887081 /nfs/dbraw/zinc/88/70/81/598887081.db2.gz PSOQYKBJAMUJAC-QGZVFWFLSA-N 1 0 392.507 2.856 20 0 GFADRO CCC[NH+]1CCC(NC(=O)Nc2cc(-c3nn[nH]n3)ccc2OC(C)C)CC1 ZINC000736479850 598933700 /nfs/dbraw/zinc/93/37/00/598933700.db2.gz KAADCCMQHQMARV-UHFFFAOYSA-N 1 0 387.488 2.650 20 0 GFADRO C[C@H]([NH2+][C@H]1CCN(c2ccc(-c3nn[nH]n3)cc2)C1=O)c1cccc(Cl)c1 ZINC000736134871 598959755 /nfs/dbraw/zinc/95/97/55/598959755.db2.gz VZQXMRIWSFOLIE-SJCJKPOMSA-N 1 0 382.855 2.976 20 0 GFADRO CC(C)OCCC[N@H+](C)CCC(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000735896906 598988966 /nfs/dbraw/zinc/98/89/66/598988966.db2.gz ZFXXLCPVJJCKBL-UHFFFAOYSA-N 1 0 380.880 2.596 20 0 GFADRO C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)c3ccc(-c4nn[nH]n4)nc3)cc2)C1 ZINC000736275212 598994113 /nfs/dbraw/zinc/99/41/13/598994113.db2.gz AQUGSDRRFFTWAT-CQSZACIVSA-N 1 0 377.452 2.746 20 0 GFADRO C[C@H](O)C[C@H](C)C[NH2+]Cc1cccc(OCc2cccc(-c3nn[nH]n3)c2)c1 ZINC000736142746 599010974 /nfs/dbraw/zinc/01/09/74/599010974.db2.gz GQVDFGSLUSGVHB-HOTGVXAUSA-N 1 0 381.480 2.942 20 0 GFADRO C[C@H](C(=O)Nc1ccccc1-c1nn[nH]n1)[N@@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC000735559885 599134670 /nfs/dbraw/zinc/13/46/70/599134670.db2.gz ANIIXWUVZDDAHQ-WBVHZDCISA-N 1 0 376.464 2.758 20 0 GFADRO O=C(CC[N@@H+]1CC[C@H](Cc2ccccc2)C1)Nc1ccccc1-c1nn[nH]n1 ZINC000737837405 599136570 /nfs/dbraw/zinc/13/65/70/599136570.db2.gz GGUSXDPTUGWXJM-QGZVFWFLSA-N 1 0 376.464 2.760 20 0 GFADRO CC[NH+](CC)C[C@@H]1CCN(C(=S)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)C1 ZINC000821189773 599228608 /nfs/dbraw/zinc/22/86/08/599228608.db2.gz SQESINGXFKFXSD-LBPRGKRZSA-N 1 0 393.948 2.881 20 0 GFADRO CC[NH+](CC)[C@H](CNC(=O)Nc1cccc(-c2nn[nH]n2)c1C)c1ccco1 ZINC000821181626 607282617 /nfs/dbraw/zinc/28/26/17/607282617.db2.gz NNIGIPOEQCBUNM-MRXNPFEDSA-N 1 0 383.456 2.973 20 0 GFADRO O=C(CC[N@@H+]1CCS[C@@H](c2ccccc2)C1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000737847964 599271816 /nfs/dbraw/zinc/27/18/16/599271816.db2.gz WGKTXAKNLOGKNH-GOSISDBHSA-N 1 0 394.504 2.985 20 0 GFADRO CN(C[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2F)C1)C(=O)OC(C)(C)C ZINC000736793377 598247510 /nfs/dbraw/zinc/24/75/10/598247510.db2.gz WRDNVCWBSSBLDG-CYBMUJFWSA-N 1 0 390.463 2.695 20 0 GFADRO COC(=O)c1cccc(C[NH+]2CCC(Oc3cccc(-c4nn[nH]n4)c3)CC2)c1 ZINC000736950250 598249000 /nfs/dbraw/zinc/24/90/00/598249000.db2.gz ZGMZNDDEXITSFE-UHFFFAOYSA-N 1 0 393.447 2.697 20 0 GFADRO CC1(C)CN(C(=O)Nc2cccc(-c3nn[nH]n3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000736213645 598255612 /nfs/dbraw/zinc/25/56/12/598255612.db2.gz LKJZLFONEOGSTQ-UHFFFAOYSA-N 1 0 391.479 2.995 20 0 GFADRO C[NH+]1CCC(NC(=O)Nc2cccc(Oc3ccc(-c4nn[nH]n4)cc3)c2)CC1 ZINC000736858538 598267372 /nfs/dbraw/zinc/26/73/72/598267372.db2.gz ZPUFYWKVQALZNC-UHFFFAOYSA-N 1 0 393.451 2.875 20 0 GFADRO C[C@@H](NC(=O)N(C)Cc1ccc(C[NH+](C)C)cc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000736110090 598268621 /nfs/dbraw/zinc/26/86/21/598268621.db2.gz FHHIWGMCPIKOMS-OAHLLOKOSA-N 1 0 393.495 2.831 20 0 GFADRO c1nn2cc(C[NH2+]Cc3ccc(Oc4ccccc4)cc3)cnc2c1-c1nn[nH]n1 ZINC000738433709 598275614 /nfs/dbraw/zinc/27/56/14/598275614.db2.gz STYJKFSWVAKQDY-UHFFFAOYSA-N 1 0 398.430 2.992 20 0 GFADRO Fc1ccc(SCC[NH+]2CCN(c3ccccc3-c3nn[nH]n3)CC2)cc1 ZINC000737657112 598292026 /nfs/dbraw/zinc/29/20/26/598292026.db2.gz UYAQFBWPTTXCSU-UHFFFAOYSA-N 1 0 384.484 2.920 20 0 GFADRO O=C(CC[N@@H+]1CCCO[C@@H](c2ccccc2)C1)Nc1ccccc1-c1nn[nH]n1 ZINC000737842983 598312197 /nfs/dbraw/zinc/31/21/97/598312197.db2.gz GLWSLQIOGKYZDK-LJQANCHMSA-N 1 0 392.463 2.659 20 0 GFADRO c1ccc(C(c2ccccc2)[NH+]2CCN(c3nccnc3-c3nn[nH]n3)CC2)cc1 ZINC000738427403 598337055 /nfs/dbraw/zinc/33/70/55/598337055.db2.gz HSEMLGAHMNWMSW-UHFFFAOYSA-N 1 0 398.474 2.568 20 0 GFADRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNc3nccnc3-c3nn[nH]n3)cc2)C1 ZINC000736229023 598343902 /nfs/dbraw/zinc/34/39/02/598343902.db2.gz PSZJFUITGMHZOJ-GASCZTMLSA-N 1 0 378.484 2.747 20 0 GFADRO CCOc1cc(C[NH2+]CCSCc2ccccc2-c2nn[nH]n2)ccc1O ZINC000736624547 598361874 /nfs/dbraw/zinc/36/18/74/598361874.db2.gz CALINKFXODFTSU-UHFFFAOYSA-N 1 0 385.493 2.994 20 0 GFADRO Cc1cccc(C2(C[NH2+]Cc3cnc4c(-c5nn[nH]n5)cnn4c3)CCCC2)c1 ZINC000737388658 598397586 /nfs/dbraw/zinc/39/75/86/598397586.db2.gz HMLAPMLTMZOPFC-UHFFFAOYSA-N 1 0 388.479 2.819 20 0 GFADRO CC[C@H](C)[N@H+](C)CCNC(=O)c1ccccc1-c1ccccc1-c1nn[nH]n1 ZINC000736322100 598424076 /nfs/dbraw/zinc/42/40/76/598424076.db2.gz IAFPQJLKCYQACI-HNNXBMFYSA-N 1 0 378.480 2.994 20 0 GFADRO CC(C)N(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000736017553 598429545 /nfs/dbraw/zinc/42/95/45/598429545.db2.gz PABQYHKTFSXTFZ-KRWDZBQOSA-N 1 0 399.543 2.909 20 0 GFADRO CC[C@@H](C)[N@H+](C)CCNC(=O)Nc1cc(-c2nn[nH]n2)ccc1OC(C)C ZINC000736321581 598429685 /nfs/dbraw/zinc/42/96/85/598429685.db2.gz CQIZZSICTKKIMF-CYBMUJFWSA-N 1 0 375.477 2.506 20 0 GFADRO COc1ccc(C)cc1[C@H](C)[NH2+][C@H](C)C(=O)Nc1ccccc1-c1nn[nH]n1 ZINC000737077759 598431660 /nfs/dbraw/zinc/43/16/60/598431660.db2.gz XTJRPIRDWQPQKC-UONOGXRCSA-N 1 0 380.452 2.862 20 0 GFADRO O=C(NCc1cccc(C[NH+]2CCCCCC2)c1)c1ccc(-c2nn[nH]n2)cn1 ZINC000738117832 598462794 /nfs/dbraw/zinc/46/27/94/598462794.db2.gz VVWMHXKTUSMVBS-UHFFFAOYSA-N 1 0 391.479 2.568 20 0 GFADRO C[C@@H]1C[C@H]1c1ccc(C[NH2+]C2CCN(c3ccc(-c4nn[nH]n4)cn3)CC2)o1 ZINC000736237968 598466511 /nfs/dbraw/zinc/46/65/11/598466511.db2.gz QTYKXDXMRJMAGH-CXAGYDPISA-N 1 0 379.468 2.737 20 0 GFADRO c1c2ccccc2oc1C[NH2+]C1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1 ZINC000738439637 598467072 /nfs/dbraw/zinc/46/70/72/598467072.db2.gz AXYZZXYBYYNTBE-UHFFFAOYSA-N 1 0 375.436 2.767 20 0 GFADRO C[C@@H](CNC(=O)N(Cc1ccc(-c2nn[nH]n2)cc1)C1CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000736269157 598477898 /nfs/dbraw/zinc/47/78/98/598477898.db2.gz ZJNMGXRTNJNANQ-CVEARBPZSA-N 1 0 397.527 2.661 20 0 GFADRO CCCC[NH+]1CCC(NC(=O)N(Cc2ccc(-c3nn[nH]n3)cc2)C2CC2)CC1 ZINC000736455577 598479920 /nfs/dbraw/zinc/47/99/20/598479920.db2.gz AXOXXCKYXCQHKC-UHFFFAOYSA-N 1 0 397.527 2.805 20 0 GFADRO C[NH+](C)CCCOc1ccc(NC(=O)Nc2cccc(-c3nn[nH]n3)c2)cc1 ZINC000736767390 598511627 /nfs/dbraw/zinc/51/16/27/598511627.db2.gz PLKRLAXJCPMNMK-UHFFFAOYSA-N 1 0 381.440 2.841 20 0 GFADRO Brc1cnn(C2CC[NH+](Cc3ccccc3-c3nn[nH]n3)CC2)c1 ZINC000735375561 598594689 /nfs/dbraw/zinc/59/46/89/598594689.db2.gz NENRNDHOCIYKIN-UHFFFAOYSA-N 1 0 388.273 2.663 20 0 GFADRO c1cc(C[NH+]2CCCCC2)cc(-c2noc(-c3ccc(-c4nn[nH]n4)cn3)n2)c1 ZINC000738410809 598611562 /nfs/dbraw/zinc/61/15/62/598611562.db2.gz PXDRHDVCECHJPD-UHFFFAOYSA-N 1 0 388.435 2.965 20 0 GFADRO c1nn2cc(C[NH2+][C@@H]3CCCC[C@H]3Cc3ccccc3)cnc2c1-c1nn[nH]n1 ZINC000738427492 598618511 /nfs/dbraw/zinc/61/85/11/598618511.db2.gz IOSIDQHBAMODLZ-PKOBYXMFSA-N 1 0 388.479 2.801 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)Nc1ccc(F)c(-c2nn[nH]n2)c1)c1ccc(F)cc1 ZINC000736762797 598629424 /nfs/dbraw/zinc/62/94/24/598629424.db2.gz XHXWUUHMDBXXRP-INIZCTEOSA-N 1 0 387.394 2.569 20 0 GFADRO C[NH+](C)[C@H]1CCCN(c2c(-c3nn[nH]n3)cnc3ccc(OC(F)F)cc32)C1 ZINC000736757901 598670770 /nfs/dbraw/zinc/67/07/70/598670770.db2.gz ZDUUOHMLHBJOIL-NSHDSACASA-N 1 0 389.410 2.547 20 0 GFADRO Brc1ccccc1N1CC[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC000735375655 598713431 /nfs/dbraw/zinc/71/34/31/598713431.db2.gz NZIXVDHGMCKFMM-OAHLLOKOSA-N 1 0 399.296 2.998 20 0 GFADRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N(C)Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC000736400818 598716914 /nfs/dbraw/zinc/71/69/14/598716914.db2.gz CQFSBFLVGPSFLW-MRXNPFEDSA-N 1 0 399.543 2.909 20 0 GFADRO c1cc(OCCN2CCC[C@H](C[NH+]3CCCCCC3)C2)cc(-c2nn[nH]n2)c1 ZINC000738418990 598717836 /nfs/dbraw/zinc/71/78/36/598717836.db2.gz LDYRGZWXXLZUDJ-GOSISDBHSA-N 1 0 384.528 2.834 20 0 GFADRO O=C(NCc1cccc(-c2nn[nH]n2)c1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000738112690 598726065 /nfs/dbraw/zinc/72/60/65/598726065.db2.gz QVVVTYUDGJXABR-GOSISDBHSA-N 1 0 397.527 2.664 20 0 GFADRO C[N@@H+]1CCC[C@H]1[C@@H]1CCCN1C(=S)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000736860184 598752105 /nfs/dbraw/zinc/75/21/05/598752105.db2.gz MFCJAOGMCGALCY-GJZGRUSLSA-N 1 0 391.932 2.776 20 0 GFADRO CN(CC1CC[NH+](C)CC1)c1c(-c2nn[nH]n2)cnc2c(F)ccc(Cl)c21 ZINC000736847579 598757139 /nfs/dbraw/zinc/75/71/39/598757139.db2.gz HRUIFXHSKYDZKR-UHFFFAOYSA-N 1 0 389.866 2.985 20 0 GFADRO C[C@@H](CN1CCOCC1)[N@H+](Cc1ccccc1)Cc1cccc(-c2nn[nH]n2)c1 ZINC000736011005 598809493 /nfs/dbraw/zinc/80/94/93/598809493.db2.gz YGDIVGASWMNSAC-SFHVURJKSA-N 1 0 392.507 2.590 20 0 GFADRO C[C@@H](NC(=O)NC[C@@H](c1cccs1)[NH+](C)C)c1cccc(-c2nn[nH]n2)c1 ZINC000820357353 599298807 /nfs/dbraw/zinc/29/88/07/599298807.db2.gz GPXDLBLXNAVTAL-DOMZBBRYSA-N 1 0 385.497 2.591 20 0 GFADRO CC[NH+](CC)CCS[C@H](C)C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000736530916 599302574 /nfs/dbraw/zinc/30/25/74/599302574.db2.gz PDDHPTAKCGLBCF-LLVKDONJSA-N 1 0 382.921 2.922 20 0 GFADRO Cc1ccc(N(C)C2CC[NH+]([C@H](C)c3ccc(-c4nn[nH]n4)cc3)CC2)nn1 ZINC000737348164 599317974 /nfs/dbraw/zinc/31/79/74/599317974.db2.gz UZSZHOSBZZAAEJ-OAHLLOKOSA-N 1 0 378.484 2.627 20 0 GFADRO Cc1cc(N2CCC[C@H]([NH2+][C@H](C)c3ccc(-c4nn[nH]n4)cc3)C2)nc(C)n1 ZINC000737272015 599317997 /nfs/dbraw/zinc/31/79/97/599317997.db2.gz OZZLGZKUSOQBAQ-KDOFPFPSSA-N 1 0 378.484 2.593 20 0 GFADRO C[C@H]1CCC[N@@H+]1CCNC(=O)c1ccccc1-c1ccccc1-c1nn[nH]n1 ZINC000736277864 599318331 /nfs/dbraw/zinc/31/83/31/599318331.db2.gz NKABXKWGLHYMKC-HNNXBMFYSA-N 1 0 376.464 2.748 20 0 GFADRO C[C@@H](C(=O)N(Cc1ccc(-c2nn[nH]n2)cc1)C1CC1)[N@H+](C)Cc1ccccc1 ZINC000735510381 599370920 /nfs/dbraw/zinc/37/09/20/599370920.db2.gz AZNPXTRNAANSEM-INIZCTEOSA-N 1 0 390.491 2.878 20 0 GFADRO C[C@H]([NH2+]Cc1cccc(NC(=O)[C@@H]2CCCO2)c1)c1ccc(-c2nn[nH]n2)cc1 ZINC000820431838 599371644 /nfs/dbraw/zinc/37/16/44/599371644.db2.gz IPGORFUXHSYTDZ-LIRRHRJNSA-N 1 0 392.463 2.835 20 0 GFADRO CCc1cc(N2CCC[C@@H]([NH2+][C@H](C)c3ccc(-c4nn[nH]n4)cc3)C2)ncn1 ZINC000821471336 599376378 /nfs/dbraw/zinc/37/63/78/599376378.db2.gz ZXJPVEGYODNFMC-RDTXWAMCSA-N 1 0 378.484 2.539 20 0 GFADRO CCOc1ccccc1NC(=O)[C@@H](C)[NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1 ZINC000821436912 599388910 /nfs/dbraw/zinc/38/89/10/599388910.db2.gz HNCNFOQXGMSKNT-UONOGXRCSA-N 1 0 380.452 2.943 20 0 GFADRO C[C@@H]([NH2+][C@H]1CCN(c2ccccc2Cl)C1=O)c1cccc(-c2nn[nH]n2)c1 ZINC000820418895 599390060 /nfs/dbraw/zinc/39/00/60/599390060.db2.gz CIZFLXKOMBMHRS-WBMJQRKESA-N 1 0 382.855 2.976 20 0 GFADRO COc1ccc(C[NH2+]Cc2sccc2Br)cc1-c1nn[nH]n1 ZINC000821818306 599430063 /nfs/dbraw/zinc/43/00/63/599430063.db2.gz OMKUYBQUPKGDMH-UHFFFAOYSA-N 1 0 380.271 2.989 20 0 GFADRO COc1ccc(C2([NH2+]Cc3ccc(OC)c(-c4nn[nH]n4)c3)CCOCC2)cc1 ZINC000821783130 599447971 /nfs/dbraw/zinc/44/79/71/599447971.db2.gz XGLUVRHSSJJKSP-UHFFFAOYSA-N 1 0 395.463 2.679 20 0 GFADRO CSCC[C@@H](C)[N@H+](C)CCC(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2 ZINC000737175955 599448829 /nfs/dbraw/zinc/44/88/29/599448829.db2.gz KARJJSPYZHTRKR-LLVKDONJSA-N 1 0 394.570 2.819 20 0 GFADRO c1nc2ccc(-c3nn[nH]n3)cn2c1CNC1CC[NH+](CC2CCCCC2)CC1 ZINC000738420414 599487650 /nfs/dbraw/zinc/48/76/50/599487650.db2.gz FRDLYYSGKZMEEX-UHFFFAOYSA-N 1 0 394.527 2.649 20 0 GFADRO CC(C)(C)n1ncc2c1CCC[C@@H]2[NH2+]Cc1cnc2ccc(-c3nn[nH]n3)cn12 ZINC000735664635 599487932 /nfs/dbraw/zinc/48/79/32/599487932.db2.gz MNKUMUJJNHLASF-INIZCTEOSA-N 1 0 391.483 2.633 20 0 GFADRO C[C@H]1C[C@H](N(C)C(=O)c2cccc(-c3nn[nH]n3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000736226589 599554581 /nfs/dbraw/zinc/55/45/81/599554581.db2.gz HUIIDPJVFUHNGJ-OXJNMPFZSA-N 1 0 390.491 2.992 20 0 GFADRO CC[NH+](CC)C[C@@H]1CCN(C(=O)Nc2cc(-c3nn[nH]n3)cn2C(C)(C)C)C1 ZINC000821180798 599555719 /nfs/dbraw/zinc/55/57/19/599555719.db2.gz HNEVUICNGWDCPZ-AWEZNQCLSA-N 1 0 388.520 2.619 20 0 GFADRO C[NH+]1CCC(CNC(=O)c2cccc(Nc3ccc(-c4nn[nH]n4)cc3)c2)CC1 ZINC000736847217 599567011 /nfs/dbraw/zinc/56/70/11/599567011.db2.gz FUDWWNFRGXHFTH-UHFFFAOYSA-N 1 0 391.479 2.682 20 0 GFADRO c1cc(OC2CC[NH+](CCc3ccc4c(c3)CCO4)CC2)cc(-c2nn[nH]n2)c1 ZINC000823762953 599573219 /nfs/dbraw/zinc/57/32/19/599573219.db2.gz XODVBTQKFMMHML-UHFFFAOYSA-N 1 0 391.475 2.888 20 0 GFADRO CC[N@H+](CCCOc1ccc(-c2nn[nH]n2)cc1)C[C@H](O)c1ccc(C)cc1 ZINC000821216001 599590118 /nfs/dbraw/zinc/59/01/18/599590118.db2.gz YUFVKKTYCQTZQV-FQEVSTJZSA-N 1 0 381.480 3.000 20 0 GFADRO C[C@@H]1c2c(F)cccc2CC[N@H+]1CCC(=O)Nc1ccccc1-c1nn[nH]n1 ZINC000736306013 599591115 /nfs/dbraw/zinc/59/11/15/599591115.db2.gz ZORDJUSJHJPMAC-CYBMUJFWSA-N 1 0 380.427 2.954 20 0 GFADRO C[C@@H]1CSCC[N@@H+]1CCC(=O)Nc1sc2c(c1-c1nn[nH]n1)CCCC2 ZINC000736291481 599591383 /nfs/dbraw/zinc/59/13/83/599591383.db2.gz AUVPUVCNMCSVIZ-LLVKDONJSA-N 1 0 392.554 2.573 20 0 GFADRO COc1ccccc1[C@@H]1CC[N@H+](CCC(=O)Nc2ccccc2-c2nn[nH]n2)C1 ZINC000737145678 599591947 /nfs/dbraw/zinc/59/19/47/599591947.db2.gz DZHLZAJGFCVFMO-OAHLLOKOSA-N 1 0 392.463 2.693 20 0 GFADRO O=C(c1ccc(F)cc1)[C@H]1CCC[N@H+](CCOc2ccccc2-c2nn[nH]n2)C1 ZINC000738266635 599593010 /nfs/dbraw/zinc/59/30/10/599593010.db2.gz JGUWVOIRPVJSKX-INIZCTEOSA-N 1 0 395.438 2.980 20 0 GFADRO COc1cc(C[N@H+](C)CC[C@@H](C)O)ccc1OCc1cccc(-c2nn[nH]n2)c1 ZINC000821713332 599640472 /nfs/dbraw/zinc/64/04/72/599640472.db2.gz VCEISQTYIQXGSB-OAHLLOKOSA-N 1 0 397.479 2.657 20 0 GFADRO CC[C@](C)([NH2+]CCC(=O)Nc1sccc1-c1nn[nH]n1)c1nc(C)cs1 ZINC000820853958 599645017 /nfs/dbraw/zinc/64/50/17/599645017.db2.gz QEFLCIDTGFMSDX-INIZCTEOSA-N 1 0 391.526 2.937 20 0 GFADRO Cc1cccc(NC[C@H]2CC[N@H+](CC(=O)NCc3ccc(NC(=O)[O-])cc3)C2)[nH+]1 ZINC000738735326 600095334 /nfs/dbraw/zinc/09/53/34/600095334.db2.gz AHHLXVJYHZPXSD-QGZVFWFLSA-N 1 0 397.479 2.530 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)Nc1ccc(OC(C)C)c(-c2nn[nH]n2)c1 ZINC000821254843 607425074 /nfs/dbraw/zinc/42/50/74/607425074.db2.gz OURNLLIHXSRHJU-OAHLLOKOSA-N 1 0 387.488 2.602 20 0 GFADRO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@@H]1N2C(=O)c1ccc(-c2nn[nH]n2)cc1C ZINC000826293828 607431156 /nfs/dbraw/zinc/43/11/56/607431156.db2.gz CDLLADVHSLVFTD-QUCCMNQESA-N 1 0 388.475 2.932 20 0 GFADRO O=C(C[N@@H+]1CCC[C@H](Cc2ccccc2)C1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000822998109 607451834 /nfs/dbraw/zinc/45/18/34/607451834.db2.gz ZDDJOUCXDMSVIS-QGZVFWFLSA-N 1 0 376.464 2.760 20 0 GFADRO O=C(C[N@@H+]1CCC[C@H](Cc2ccccc2)C1)Nc1cccc(-c2nn[nH]n2)c1 ZINC000822996532 607452047 /nfs/dbraw/zinc/45/20/47/607452047.db2.gz GVOXCDKRSWMVHX-QGZVFWFLSA-N 1 0 376.464 2.760 20 0 GFADRO O=C(C[N@@H+]1CCC[C@@H](Cc2ccccc2)C1)Nc1sccc1-c1nn[nH]n1 ZINC000822996339 607452152 /nfs/dbraw/zinc/45/21/52/607452152.db2.gz CSXJMCCLSVNNPZ-HNNXBMFYSA-N 1 0 382.493 2.821 20 0 GFADRO C[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)C[C@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC000821613636 607461338 /nfs/dbraw/zinc/46/13/38/607461338.db2.gz WFACTJZUJDESLI-QGZVFWFLSA-N 1 0 391.397 2.921 20 0 GFADRO C[C@H]([C@H]1Cc2ccccc2O1)[N@H+](C)CCC(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000824377323 607472354 /nfs/dbraw/zinc/47/23/54/607472354.db2.gz BWFWYAJPIPZNBS-AUUYWEPGSA-N 1 0 392.463 2.519 20 0 GFADRO COc1ccc(C[N@H+](C)Cc2cc(OC)c(OC)cc2C)cc1-c1nn[nH]n1 ZINC000826178377 607479877 /nfs/dbraw/zinc/47/98/77/607479877.db2.gz VRTRZVZMPUBVIM-UHFFFAOYSA-N 1 0 383.452 2.833 20 0 GFADRO COc1ccc(-c2nn[nH]n2)cc1C[NH+]1CCC([C@H](O)c2ccccc2)CC1 ZINC000826182118 607513702 /nfs/dbraw/zinc/51/37/02/607513702.db2.gz AJLRPLFWYFTMHQ-HXUWFJFHSA-N 1 0 379.464 2.821 20 0 GFADRO COc1ccc(C[N@@H+]2CCCC[C@@H]2[C@H](O)c2ccccc2)cc1-c1nn[nH]n1 ZINC000826194364 607520307 /nfs/dbraw/zinc/52/03/07/607520307.db2.gz KHLNFUOYFGGBAX-UYAOXDASSA-N 1 0 379.464 2.963 20 0 GFADRO COc1ccc(-c2nn[nH]n2)cc1CN1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000826182439 607526600 /nfs/dbraw/zinc/52/66/00/607526600.db2.gz JSVPHWSFONIIQA-KRWDZBQOSA-N 1 0 384.528 2.963 20 0 GFADRO COc1ccc(C[NH2+]Cc2c[nH]nc2-c2ccccc2F)cc1-c1nn[nH]n1 ZINC000826202502 607567297 /nfs/dbraw/zinc/56/72/97/607567297.db2.gz BZEIZCPWSAYONN-UHFFFAOYSA-N 1 0 379.399 2.694 20 0 GFADRO Cc1cc(-c2nn[nH]n2)ccc1C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000826247390 607651554 /nfs/dbraw/zinc/65/15/54/607651554.db2.gz BEBKOZXGYYSZHJ-LJQANCHMSA-N 1 0 376.464 2.742 20 0 GFADRO Cc1cc(-c2nn[nH]n2)ccc1C(=O)NCc1ccccc1C[N@@H+](C)C(C)C ZINC000826249200 607665557 /nfs/dbraw/zinc/66/55/57/607665557.db2.gz QEIHSNMIPZQBLO-UHFFFAOYSA-N 1 0 378.480 2.945 20 0 GFADRO Cc1cc(-c2nn[nH]n2)ccc1C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000826248766 607671945 /nfs/dbraw/zinc/67/19/45/607671945.db2.gz WGARGUQIYKBJEO-UHFFFAOYSA-N 1 0 390.491 2.817 20 0 GFADRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)Nc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000824778032 607674999 /nfs/dbraw/zinc/67/49/99/607674999.db2.gz MTVLNLGTDKPRID-CQSZACIVSA-N 1 0 392.467 2.609 20 0 GFADRO O=C([O-])CCC[NH+]1CCC(NCC2([NH+]3CCSCC3)CCCCC2)CC1 ZINC000833773966 605223710 /nfs/dbraw/zinc/22/37/10/605223710.db2.gz URRPQGBTPWQYHZ-UHFFFAOYSA-N 1 0 383.602 2.657 20 0 GFADRO O=C([O-])CCC[NH+]1CCC([NH2+]CCc2nc(-c3cccc(Cl)c3)no2)CC1 ZINC000833774112 605229344 /nfs/dbraw/zinc/22/93/44/605229344.db2.gz YAQMVHSWOSVAMI-UHFFFAOYSA-N 1 0 392.887 2.851 20 0 GFADRO CC(C)CC[NH+]1CCC(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCCN2C(=O)[O-])CC1 ZINC000833793839 605828810 /nfs/dbraw/zinc/82/88/10/605828810.db2.gz INFRORFBOUSZSJ-ZCNNSNEGSA-N 1 0 381.561 2.882 20 0 GFADRO CC[N@H+](CCC(=O)Nc1ccc(-c2nn[nH]n2)cc1)[C@H](C)c1cccc(O)c1 ZINC000821207306 606070203 /nfs/dbraw/zinc/07/02/03/606070203.db2.gz KQAUVEXZOFQOEX-CQSZACIVSA-N 1 0 380.452 2.984 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)c2ccc(-c3nn[nH]n3)s2)CC[N@@H+]1Cc1ccccc1 ZINC000820658050 606188209 /nfs/dbraw/zinc/18/82/09/606188209.db2.gz OYSIAVGYNSIQQR-UKRRQHHQSA-N 1 0 382.493 2.711 20 0 GFADRO CC(C)C[C@@H]1CCCCC[N@@H+]1CCS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000820061497 606188854 /nfs/dbraw/zinc/18/88/54/606188854.db2.gz DLIMIVVCPNRWTJ-KRWDZBQOSA-N 1 0 391.541 2.931 20 0 GFADRO CCN(C[C@H]1CC[N@H+](Cc2cc(-c3nn[nH]n3)ccc2F)C1)CC(F)(F)F ZINC000821198275 606191432 /nfs/dbraw/zinc/19/14/32/606191432.db2.gz QMHNLIHDGVEEMX-GFCCVEGCSA-N 1 0 386.397 2.712 20 0 GFADRO CC(C)CC[NH+]1CCC(CNC(=O)N[C@@H](C)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000820076120 606193428 /nfs/dbraw/zinc/19/34/28/606193428.db2.gz BICKUPGVYDQCPN-INIZCTEOSA-N 1 0 399.543 2.985 20 0 GFADRO COc1ccc(-c2nn[nH]n2)cc1NC(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000821761827 606194348 /nfs/dbraw/zinc/19/43/48/606194348.db2.gz FLZPIQMBDPLZPJ-UHFFFAOYSA-N 1 0 399.499 2.794 20 0 GFADRO CC(C)CC[NH+]1CCC(CNC(=O)N(C)Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000820076943 606197809 /nfs/dbraw/zinc/19/78/09/606197809.db2.gz WODFJCQQODBXDW-UHFFFAOYSA-N 1 0 399.543 2.766 20 0 GFADRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)c3cc(-c4nn[nH]n4)c[nH]3)cc2)C1 ZINC000820650886 606257919 /nfs/dbraw/zinc/25/79/19/606257919.db2.gz YBXICUWSRDHNTP-GASCZTMLSA-N 1 0 393.495 2.603 20 0 GFADRO CC[NH+](CC)CCS[C@@H](C)C(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2 ZINC000821198813 606312417 /nfs/dbraw/zinc/31/24/17/606312417.db2.gz WLJPWZIOGAUDGM-NSHDSACASA-N 1 0 394.570 2.819 20 0 GFADRO c1cnn(C[C@@H]([NH2+]CCCOc2ccc(-c3nn[nH]n3)cc2)c2ccccc2)c1 ZINC000823771640 606331836 /nfs/dbraw/zinc/33/18/36/606331836.db2.gz BEWHZASANPJAMG-HXUWFJFHSA-N 1 0 389.463 2.863 20 0 GFADRO Cc1oc(-n2cccc2)c(-c2nn[nH]n2)c1C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000822535528 606338359 /nfs/dbraw/zinc/33/83/59/606338359.db2.gz VNKRWDYJLWUKQX-UHFFFAOYSA-N 1 0 397.483 2.553 20 0 GFADRO CCOc1ccc(-c2nn[nH]n2)cc1NC(=O)N1C[C@H]2CCCC[N@@H+]2C[C@@H]1CC ZINC000821407706 606344668 /nfs/dbraw/zinc/34/46/68/606344668.db2.gz VMUZFXRJEDMDHH-JKSUJKDBSA-N 1 0 399.499 2.746 20 0 GFADRO Brc1ccc(OCC[NH2+]Cc2ccc(-c3nn[nH]n3)s2)cc1 ZINC000819688148 606415790 /nfs/dbraw/zinc/41/57/90/606415790.db2.gz DRKBEQUOOJDCNF-UHFFFAOYSA-N 1 0 380.271 2.859 20 0 GFADRO O[C@H]([C@H](Cc1ccccc1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1)C(F)(F)F ZINC000823673751 606420895 /nfs/dbraw/zinc/42/08/95/606420895.db2.gz NKLJIQRTUXMVCG-GXTWGEPZSA-N 1 0 383.399 2.552 20 0 GFADRO CC[NH+]1CCN(c2ccc(Nc3ccc(Cl)c(-c4nn[nH]n4)n3)cc2)CC1 ZINC000821277747 606440210 /nfs/dbraw/zinc/44/02/10/606440210.db2.gz WVNIJKKFKCSYSN-UHFFFAOYSA-N 1 0 384.875 2.801 20 0 GFADRO CC(C)C[N@@H+]1CCO[C@@H](CNc2ccc(-c3nn[nH]n3)cc2C(F)(F)F)C1 ZINC000820092751 606440952 /nfs/dbraw/zinc/44/09/52/606440952.db2.gz OSXQVIJBGWTHIW-ZDUSSCGKSA-N 1 0 384.406 2.654 20 0 GFADRO CC[NH+](CC)CCOc1ccccc1NC(=O)c1cc(-c2nn[nH]n2)cs1 ZINC000821197204 606486983 /nfs/dbraw/zinc/48/69/83/606486983.db2.gz HHZQMTLAWRWBFZ-UHFFFAOYSA-N 1 0 386.481 2.901 20 0 GFADRO C[C@H]1C[NH+](CCC(=O)Nc2sc3c(c2-c2nn[nH]n2)CC[C@@H](C)C3)C[C@@H]1C ZINC000820727938 606503808 /nfs/dbraw/zinc/50/38/08/606503808.db2.gz QVKAUBRQKWSELH-AGIUHOORSA-N 1 0 388.541 2.969 20 0 GFADRO C[N@@H+]1CCC[C@H](CNC(=O)c2cc(-c3nn[nH]n3)cs2)[C@H]1c1cccs1 ZINC000821623586 606517772 /nfs/dbraw/zinc/51/77/72/606517772.db2.gz NTWXOIKYQRWJIJ-ABAIWWIYSA-N 1 0 388.522 2.803 20 0 GFADRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cc(-c2nn[nH]n2)cs1 ZINC000821596134 606521315 /nfs/dbraw/zinc/52/13/15/606521315.db2.gz AOCNLQRKKSTALM-HNNXBMFYSA-N 1 0 382.493 2.522 20 0 GFADRO O=C(CC[N@@H+](CCC(F)(F)F)CC1CC1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000822964978 606526279 /nfs/dbraw/zinc/52/62/79/606526279.db2.gz VRNKNLVUMLBWKG-UHFFFAOYSA-N 1 0 382.390 2.860 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC000820705195 606562052 /nfs/dbraw/zinc/56/20/52/606562052.db2.gz RXNPGOFXSOSWHR-SJLPKXTDSA-N 1 0 382.512 2.522 20 0 GFADRO CC(C)CN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000820087268 606602944 /nfs/dbraw/zinc/60/29/44/606602944.db2.gz OTCHESCQBVRANZ-OALUTQOASA-N 1 0 399.543 2.907 20 0 GFADRO CC[C@@H](C[NH2+]Cc1cnc2ccc(-c3nn[nH]n3)cn12)Oc1cccc(C)c1 ZINC000820909081 606618697 /nfs/dbraw/zinc/61/86/97/606618697.db2.gz TTYULQIUBBZQMQ-KRWDZBQOSA-N 1 0 377.452 2.770 20 0 GFADRO Cc1cccc([C@H]([NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)C(C)(C)C)c1 ZINC000822288551 606618858 /nfs/dbraw/zinc/61/88/58/606618858.db2.gz BGBQIKJRBVIJAS-PBHICJAKSA-N 1 0 380.500 2.790 20 0 GFADRO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000823166001 606663261 /nfs/dbraw/zinc/66/32/61/606663261.db2.gz DHCGDQUCSOXDJO-KRWDZBQOSA-N 1 0 398.417 2.712 20 0 GFADRO Cc1c(C)n(-c2ccccc2)c(NC(=O)CSCC[NH+](C)C)c1-c1nn[nH]n1 ZINC000822016004 606693608 /nfs/dbraw/zinc/69/36/08/606693608.db2.gz RWOQOXKQPNIDSK-UHFFFAOYSA-N 1 0 399.524 2.508 20 0 GFADRO C[C@@H](C(=O)Nc1cccc(-c2nn[nH]n2)c1)[N@@H+]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000819877047 606713812 /nfs/dbraw/zinc/71/38/12/606713812.db2.gz NPXCVDNCEGMRQQ-XJKSGUPXSA-N 1 0 380.427 2.822 20 0 GFADRO CCCC[N@H+](CC)Cc1cccc(CNC(=O)c2cc(-c3nn[nH]n3)cn2C)c1 ZINC000821062154 606719094 /nfs/dbraw/zinc/71/90/94/606719094.db2.gz UTLILGBSNJLYDR-UHFFFAOYSA-N 1 0 395.511 2.757 20 0 GFADRO Brc1cccc(N2CC[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)c1 ZINC000819688990 606720725 /nfs/dbraw/zinc/72/07/25/606720725.db2.gz RYEQKDUTVYBSLD-INIZCTEOSA-N 1 0 399.296 2.998 20 0 GFADRO C[C@@H](c1ccccc1)N1CC[C@H]([NH2+]CCOc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000820571034 606722723 /nfs/dbraw/zinc/72/27/23/606722723.db2.gz UWIBTVRQWIOKQV-LPHOPBHVSA-N 1 0 378.480 2.671 20 0 GFADRO COc1cc(C[N@@H+]2CC[C@H](Nc3ccc(-c4nn[nH]n4)cc3F)C2)cc(OC)c1 ZINC000821717765 606728196 /nfs/dbraw/zinc/72/81/96/606728196.db2.gz XTLCBRXHCVAYBU-HNNXBMFYSA-N 1 0 398.442 2.709 20 0 GFADRO CC[C@@H]([NH2+]Cc1ccc(-c2nn[nH]n2)s1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000820926407 606742543 /nfs/dbraw/zinc/74/25/43/606742543.db2.gz SVVRXYUNGRILDC-QZTJIDSGSA-N 1 0 398.536 2.697 20 0 GFADRO C[C@@H]1CCc2c(sc(NC(=O)CC[N@@H+]3C[C@@H]4CCC[C@@H]43)c2-c2nn[nH]n2)C1 ZINC000820727080 606749835 /nfs/dbraw/zinc/74/98/35/606749835.db2.gz GLQXBVINAOZUIM-DYEKYZERSA-N 1 0 386.525 2.866 20 0 GFADRO CC(C)CN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000820087514 606810992 /nfs/dbraw/zinc/81/09/92/606810992.db2.gz TVEIWUDVKJTLJR-APWZRJJASA-N 1 0 399.543 2.763 20 0 GFADRO CCCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)NC[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000821104802 606811309 /nfs/dbraw/zinc/81/13/09/606811309.db2.gz RJEKZRPICUPQQP-SFHVURJKSA-N 1 0 399.543 2.766 20 0 GFADRO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccccc2-c2ccccc2-c2nn[nH]n2)C1 ZINC000820753181 606818568 /nfs/dbraw/zinc/81/85/68/606818568.db2.gz XHAJQHIKUXXLFR-FOIQADDNSA-N 1 0 390.491 2.992 20 0 GFADRO CC(C)(C)c1ccc(OCC[NH2+]C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000819958021 606845628 /nfs/dbraw/zinc/84/56/28/606845628.db2.gz GTPXKDHNPWGREH-LJQANCHMSA-N 1 0 381.480 2.866 20 0 GFADRO O[C@H](C[NH2+]CCOc1cccc2ccccc21)c1ccc(-c2nn[nH]n2)cc1 ZINC000823681552 606856550 /nfs/dbraw/zinc/85/65/50/606856550.db2.gz GNWGZVGHOWIAHC-LJQANCHMSA-N 1 0 375.432 2.722 20 0 GFADRO O[C@H](C[N@@H+](Cc1ccccc1)C[C@@H]1CCCO1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823675413 606857881 /nfs/dbraw/zinc/85/78/81/606857881.db2.gz WSWQNXGPRLKLAZ-VQTJNVASSA-N 1 0 379.464 2.581 20 0 GFADRO CC[N@H+](C[C@H](O)c1ccc(-c2nn[nH]n2)cc1)[C@@H](C)Cc1ccc(OC)cc1 ZINC000821169728 606897050 /nfs/dbraw/zinc/89/70/50/606897050.db2.gz CBWQWXSCNLZYHN-YWZLYKJASA-N 1 0 381.480 2.862 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)C[N@@H+]1Cc1ccccc1 ZINC000820659041 606903905 /nfs/dbraw/zinc/90/39/05/606903905.db2.gz VUPUOAULNXZSOW-DOMZBBRYSA-N 1 0 398.417 2.538 20 0 GFADRO Cn1c2ccccc2nc1[C@@H]1CCC[N@@H+]1C[C@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000822596457 606929031 /nfs/dbraw/zinc/92/90/31/606929031.db2.gz KFOTWINODDQUSA-OALUTQOASA-N 1 0 389.463 2.624 20 0 GFADRO C[C@@H]([NH2+][C@H](C)c1cccc(NS(C)(=O)=O)c1)c1ccc(-c2nn[nH]n2)cc1 ZINC000820413671 607015403 /nfs/dbraw/zinc/01/54/03/607015403.db2.gz TWWIRWGEISEUEM-CHWSQXEVSA-N 1 0 386.481 2.650 20 0 GFADRO CC(C)(Oc1ccc(-c2nn[nH]n2)cc1)C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000819992485 607040751 /nfs/dbraw/zinc/04/07/51/607040751.db2.gz ZHVOLTUJXJMIQW-QGZVFWFLSA-N 1 0 398.511 2.501 20 0 GFADRO C[C@@H](Cc1cccc(F)c1)[NH2+]C1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1 ZINC000820300610 607045842 /nfs/dbraw/zinc/04/58/42/607045842.db2.gz RRJAWEUZKZZXDG-AWEZNQCLSA-N 1 0 381.459 2.590 20 0 GFADRO COc1ccc2c(c1)[C@@H]([NH2+]C1CCN(c3ccc(-c4nn[nH]n4)cn3)CC1)CC2 ZINC000821849260 607047192 /nfs/dbraw/zinc/04/71/92/607047192.db2.gz BEVMELITCAELJS-IBGZPJMESA-N 1 0 391.479 2.516 20 0 GFADRO C[C@@H]([NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)c1cccc(N2CCOC2=O)c1 ZINC000820426665 607057068 /nfs/dbraw/zinc/05/70/68/607057068.db2.gz MEYGWKHXFRONDE-GFCCVEGCSA-N 1 0 382.399 2.813 20 0 GFADRO CC(C)Oc1ccc(-c2nn[nH]n2)cc1NC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000820152046 607064333 /nfs/dbraw/zinc/06/43/33/607064333.db2.gz RXIJUZSYTFMRHL-DOTOQJQBSA-N 1 0 399.499 2.602 20 0 GFADRO C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1 ZINC000820227092 607083978 /nfs/dbraw/zinc/08/39/78/607083978.db2.gz YFYXKGKQEQRREG-NEPJUHHUSA-N 1 0 385.859 2.983 20 0 GFADRO CCc1cc(C)c(C(=O)N2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)o1 ZINC000821470513 607132404 /nfs/dbraw/zinc/13/24/04/607132404.db2.gz PYYFAPFTAALIMZ-UHFFFAOYSA-N 1 0 394.479 2.679 20 0 GFADRO CSC[C@@H]1CCC[N@@H+]1CCC(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000821962840 607149224 /nfs/dbraw/zinc/14/92/24/607149224.db2.gz XRAZVHZEMTVXJQ-LBPRGKRZSA-N 1 0 380.905 2.676 20 0 GFADRO CCc1oc(C(=O)N(CC[NH+](C)C)Cc2ccc(-c3nn[nH]n3)cc2)cc1C ZINC000821558983 607155185 /nfs/dbraw/zinc/15/51/85/607155185.db2.gz NKUMMIGNGCDHGY-UHFFFAOYSA-N 1 0 382.468 2.535 20 0 GFADRO COc1cc(-c2nn[nH]n2)ccc1OCC[N@@H+]1CCC[C@@H](Nc2ccccc2)C1 ZINC000821701929 607177748 /nfs/dbraw/zinc/17/77/48/607177748.db2.gz BAMFGDFUDCBKAY-GOSISDBHSA-N 1 0 394.479 2.831 20 0 GFADRO C[NH+](C)CCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)C1CCC(C)(C)CC1 ZINC000821586015 607191756 /nfs/dbraw/zinc/19/17/56/607191756.db2.gz FYIKMZHJVITEGD-UHFFFAOYSA-N 1 0 384.528 2.973 20 0 GFADRO C[NH+](C)CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)C1CCC(C)(C)CC1 ZINC000821586160 607192631 /nfs/dbraw/zinc/19/26/31/607192631.db2.gz MESDYGRCRLXQCO-UHFFFAOYSA-N 1 0 384.528 2.973 20 0 GFADRO C[NH+](C)C[C@H](NC(=O)Nc1ccc(-c2nn[nH]n2)cc1Cl)c1ccccc1 ZINC000821583506 607195877 /nfs/dbraw/zinc/19/58/77/607195877.db2.gz XYYKWULTKWXCRT-INIZCTEOSA-N 1 0 385.859 2.945 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(-c3nn[nH]n3)cc2Cl)[C@@H](C)C1 ZINC000821254178 607197211 /nfs/dbraw/zinc/19/72/11/607197211.db2.gz KAHOPMONTDNNPD-XHDPSFHLSA-N 1 0 377.880 2.714 20 0 GFADRO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)Nc1ccc(-c2nn[nH]n2)cc1Cl ZINC000821583201 607200163 /nfs/dbraw/zinc/20/01/63/607200163.db2.gz MCSSRTOLBZASCA-OAHLLOKOSA-N 1 0 399.886 2.815 20 0 GFADRO C[NH+](C)CCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)N[C@@H]1CC2CCC1CC2 ZINC000821586089 607214083 /nfs/dbraw/zinc/21/40/83/607214083.db2.gz JIBIKWVJTDQWKR-GXOAENINSA-N 1 0 397.527 2.519 20 0 GFADRO Cc1ccc(F)c(NC(=O)N(CC[NH+](C)C)Cc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000826289317 607780785 /nfs/dbraw/zinc/78/07/85/607780785.db2.gz VGIQEPISMLCCNT-UHFFFAOYSA-N 1 0 397.458 2.910 20 0 GFADRO C[C@@H]1CC[N@H+](CCS(=O)(=O)c2cccc(-c3nn[nH]n3)c2)[C@@H]2CCCC[C@@H]12 ZINC000824952814 607815320 /nfs/dbraw/zinc/81/53/20/607815320.db2.gz BHFADKLCNNSHAR-FHLIZLRMSA-N 1 0 389.525 2.541 20 0 GFADRO OC[C@H](C1CC1)[N@H+](CCOc1ccccc1-c1nn[nH]n1)Cc1ccccc1 ZINC000826506937 607858633 /nfs/dbraw/zinc/85/86/33/607858633.db2.gz FUQMAUNGKXLRSW-LJQANCHMSA-N 1 0 379.464 2.519 20 0 GFADRO CC[NH+](CC)[C@H](C(=O)N1CCc2ccc(-c3nn[nH]n3)cc21)c1ccccc1 ZINC000825405441 607948840 /nfs/dbraw/zinc/94/88/40/607948840.db2.gz AXKVYEQCZSCHFW-IBGZPJMESA-N 1 0 376.464 2.839 20 0 GFADRO CCOC(=O)C(F)(F)[C@@H]1CC[C@@H]([NH2+][C@H](C)c2cccc(-c3nn[nH]n3)c2)C1 ZINC000825493916 608012304 /nfs/dbraw/zinc/01/23/04/608012304.db2.gz QLJWGMFIXJIERT-KCPJHIHWSA-N 1 0 379.411 2.884 20 0 GFADRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)c1nc(-c2ccccc2)no1 ZINC000824427112 608027026 /nfs/dbraw/zinc/02/70/26/608027026.db2.gz LMHMTQQFWZJGFG-LBPRGKRZSA-N 1 0 379.399 2.949 20 0 GFADRO C[N@@H+](Cc1ccc(Cl)c(F)c1)C[C@@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000825965681 608105862 /nfs/dbraw/zinc/10/58/62/608105862.db2.gz BXHWTHJMEZCYBP-CQSZACIVSA-N 1 0 391.834 2.531 20 0 GFADRO Cc1cccc([C@@H]2CC[N@H+](CCC(=O)Nc3ccc(-c4nn[nH]n4)cc3)C2)c1 ZINC000826297953 608128134 /nfs/dbraw/zinc/12/81/34/608128134.db2.gz XTWDVXYJCVVEHY-GOSISDBHSA-N 1 0 376.464 2.993 20 0 GFADRO Cc1cc(Br)cn2c(C[NH2+]Cc3ccc(-c4nn[nH]n4)cc3)cnc12 ZINC000826256445 608128552 /nfs/dbraw/zinc/12/85/52/608128552.db2.gz KAEGQLNXCLXCDH-UHFFFAOYSA-N 1 0 398.268 2.875 20 0 GFADRO CC(C)(O)C[N@@H+]1CCc2c(cccc2NCc2cc(-c3nn[nH]n3)cs2)C1 ZINC000824172335 608134066 /nfs/dbraw/zinc/13/40/66/608134066.db2.gz KUQZYVIRUOGOFO-UHFFFAOYSA-N 1 0 384.509 2.669 20 0 GFADRO O=C(N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)c1ccc(-c2nn[nH]n2)s1 ZINC000826430064 608134784 /nfs/dbraw/zinc/13/47/84/608134784.db2.gz SNUSWQVVJWPMCX-HRCADAONSA-N 1 0 394.504 2.569 20 0 GFADRO CC[N@H+](CCc1ccccc1)[C@H](C)C(=O)Nc1oc(C)c(C)c1-c1nn[nH]n1 ZINC000825424547 608153337 /nfs/dbraw/zinc/15/33/37/608153337.db2.gz JZYCAQUFWSPIKX-CQSZACIVSA-N 1 0 382.468 2.968 20 0 GFADRO CC(C)C[N@@H+]1Cc2cccc(NC(=O)COc3ccc(-c4nn[nH]n4)cc3)c2C1 ZINC000824261219 608196497 /nfs/dbraw/zinc/19/64/97/608196497.db2.gz FOUWKNKXDZREFJ-UHFFFAOYSA-N 1 0 392.463 2.856 20 0 GFADRO CC(C)n1cnnc1[C@@H]1CCC[N@H+](CCCOc2cccc(-c3nn[nH]n3)c2)C1 ZINC000824377817 608258419 /nfs/dbraw/zinc/25/84/19/608258419.db2.gz OAHBHWMZRZHSTE-QGZVFWFLSA-N 1 0 396.499 2.688 20 0 GFADRO COC(=O)C(C)(C)[C@H]1CCC[N@H+](CCCOc2cccc(-c3nn[nH]n3)c2)C1 ZINC000826098508 608265454 /nfs/dbraw/zinc/26/54/54/608265454.db2.gz GWZTWVFSSHJVMH-INIZCTEOSA-N 1 0 387.484 2.547 20 0 GFADRO Cc1cccc(N2CC[NH+](CCCNc3nc(C)ccc3-c3nn[nH]n3)CC2)c1 ZINC000826299209 608272848 /nfs/dbraw/zinc/27/28/48/608272848.db2.gz VRTNREFGCDARPK-UHFFFAOYSA-N 1 0 392.511 2.503 20 0 GFADRO CC[NH+](CC)CCOc1ccc(CNc2nc(C)ccc2-c2nn[nH]n2)cc1 ZINC000825415453 608273204 /nfs/dbraw/zinc/27/32/04/608273204.db2.gz BBYDZVYJZDUFRS-UHFFFAOYSA-N 1 0 381.484 2.903 20 0 GFADRO COc1cc([C@H](C)[NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)cc(OC)c1OC ZINC000826177515 608285571 /nfs/dbraw/zinc/28/55/71/608285571.db2.gz LMKNDJMOZNRFLQ-NSHDSACASA-N 1 0 387.415 2.882 20 0 GFADRO COc1ccc(C[NH2+][C@H](C)CC(=O)Nc2cccc(F)c2)cc1-c1nn[nH]n1 ZINC000826202009 608286614 /nfs/dbraw/zinc/28/66/14/608286614.db2.gz LQQSQAVQQGHRQX-GFCCVEGCSA-N 1 0 384.415 2.521 20 0 GFADRO COc1ccc(C[NH2+][C@@H](C)CC(=O)Nc2ccc(F)cc2)cc1-c1nn[nH]n1 ZINC000826202368 608287145 /nfs/dbraw/zinc/28/71/45/608287145.db2.gz YJCDPALZMSJWIS-LBPRGKRZSA-N 1 0 384.415 2.521 20 0 GFADRO Cc1nn(-c2ccccc2)c(C[N@@H+]2CCC[C@@H]([C@@H]3CCOC3)C2)c1-c1nn[nH]n1 ZINC000826332464 608317052 /nfs/dbraw/zinc/31/70/52/608317052.db2.gz VJUSUYZNBISRJC-IAGOWNOFSA-N 1 0 393.495 2.609 20 0 GFADRO COc1cc(-c2nn[nH]n2)ccc1C[NH+]1CCC([C@@H](O)c2ccccc2)CC1 ZINC000826168265 608352667 /nfs/dbraw/zinc/35/26/67/608352667.db2.gz HVWDXBGKLGWKIS-FQEVSTJZSA-N 1 0 379.464 2.821 20 0 GFADRO COc1cc(-c2nn[nH]n2)ccc1C[N@@H+]1CCCC[C@H]1[C@H](O)c1ccccc1 ZINC000826168878 608370247 /nfs/dbraw/zinc/37/02/47/608370247.db2.gz BBVGGHAHISSCLH-AZUAARDMSA-N 1 0 379.464 2.963 20 0 GFADRO COc1cc(-c2nn[nH]n2)ccc1CN(C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000826167403 608373561 /nfs/dbraw/zinc/37/35/61/608373561.db2.gz CBHOTGDJCZIDCE-IBGZPJMESA-N 1 0 378.480 2.582 20 0 GFADRO c1ccc(C[N@@H+]2CCN(c3ccc(-c4nn[nH]n4)nn3)CC23CCCCC3)cc1 ZINC000826521758 608430667 /nfs/dbraw/zinc/43/06/67/608430667.db2.gz YCUVHARORBWYED-UHFFFAOYSA-N 1 0 390.495 2.682 20 0 GFADRO COc1ccc([C@H](C)[NH2+]CC(=O)Nc2cc(Cl)ccc2-c2nn[nH]n2)cc1 ZINC000826188392 608431782 /nfs/dbraw/zinc/43/17/82/608431782.db2.gz VXBHHCTYJGAMCG-NSHDSACASA-N 1 0 386.843 2.818 20 0 GFADRO Cc1ccc([C@H](C)[NH2+]CCS(=O)(=O)c2cccc(-c3nn[nH]n3)c2)c(C)c1 ZINC000826283027 608436677 /nfs/dbraw/zinc/43/66/77/608436677.db2.gz IRYAGQKEIGIYRI-HNNXBMFYSA-N 1 0 385.493 2.608 20 0 GFADRO Cc1ccc([C@H](C)[NH2+]CCS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)c(C)c1 ZINC000826282790 608436782 /nfs/dbraw/zinc/43/67/82/608436782.db2.gz CIYXOZZVVINAIP-HNNXBMFYSA-N 1 0 385.493 2.608 20 0 GFADRO COc1cc([C@H](C)[NH2+]Cc2cccc(-c3nn[nH]n3)c2F)cc(OC)c1OC ZINC000826177294 608449465 /nfs/dbraw/zinc/44/94/65/608449465.db2.gz BTRLNQLJSIKQJN-NSHDSACASA-N 1 0 387.415 2.882 20 0 GFADRO CC(C)Oc1cccc([C@@H](C)[NH2+]CC(=O)Nc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000824332986 608454179 /nfs/dbraw/zinc/45/41/79/608454179.db2.gz BYQLBWKOGPAWMD-CQSZACIVSA-N 1 0 380.452 2.943 20 0 GFADRO CCOc1ccccc1[C@H](CC)[NH2+]C[C@@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000825654138 608458317 /nfs/dbraw/zinc/45/83/17/608458317.db2.gz PKPUFSJLOAIBEL-APWZRJJASA-N 1 0 397.479 2.746 20 0 GFADRO C[C@@H]([NH2+]CC(=O)N[C@H](c1ccccc1)C1CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824553671 608462036 /nfs/dbraw/zinc/46/20/36/608462036.db2.gz FSZGOKRRNZCODR-JLTOFOAXSA-N 1 0 376.464 2.785 20 0 GFADRO CC(C)N(C(=O)[C@@H](C)[N@H+]1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1)C(C)C ZINC000824035017 608463064 /nfs/dbraw/zinc/46/30/64/608463064.db2.gz RPMHJPJQZBWQHK-MRXNPFEDSA-N 1 0 382.512 2.990 20 0 GFADRO CC(C)Oc1cccc(CNC(=O)C[NH2+][C@@H](C)c2ccc(-c3nn[nH]n3)cc2)c1 ZINC000824334170 608463674 /nfs/dbraw/zinc/46/36/74/608463674.db2.gz QCVSIKNXSKANEE-HNNXBMFYSA-N 1 0 394.479 2.621 20 0 GFADRO C[C@H]([NH2+]CC(=O)NCc1ccc(-c2nn[nH]n2)cc1)c1ccc(F)c(Cl)c1 ZINC000824564884 608471262 /nfs/dbraw/zinc/47/12/62/608471262.db2.gz XPTXGGGZRVDJSQ-NSHDSACASA-N 1 0 388.834 2.626 20 0 GFADRO C[C@@H]([NH2+]Cc1ccc(S(=O)(=O)C(F)F)cc1)c1cccc(-c2nn[nH]n2)c1 ZINC000824617894 608483946 /nfs/dbraw/zinc/48/39/46/608483946.db2.gz LEOQKQRTBIRTTR-LLVKDONJSA-N 1 0 393.419 2.714 20 0 GFADRO C[C@@H]([NH2+]CC(=O)N[C@H]1CCCc2ccccc21)c1cccc(-c2nn[nH]n2)c1 ZINC000824556027 608492028 /nfs/dbraw/zinc/49/20/28/608492028.db2.gz ZHBVPQWLPRUFHG-KUHUBIRLSA-N 1 0 376.464 2.711 20 0 GFADRO C[C@@H]([NH2+]CC(=O)N(C)Cc1ccc(Cl)s1)c1cccc(-c2nn[nH]n2)c1 ZINC000824554000 608492108 /nfs/dbraw/zinc/49/21/08/608492108.db2.gz LJHMQLIXUDNXRM-LLVKDONJSA-N 1 0 390.900 2.891 20 0 GFADRO FC(F)(F)CN1CC[C@H](C[NH2+][C@@H]2CCCc3cc(-c4nn[nH]n4)ccc32)C1 ZINC000826367782 608502835 /nfs/dbraw/zinc/50/28/35/608502835.db2.gz NVEIFSBWUPMMAN-MLGOLLRUSA-N 1 0 380.418 2.718 20 0 GFADRO CC[N@H+](Cc1cnc2ccc(-c3nn[nH]n3)cn12)Cc1ccc(OC)c(OC)c1 ZINC000825434666 608504371 /nfs/dbraw/zinc/50/43/71/608504371.db2.gz DHKSXAZWQUQUOG-UHFFFAOYSA-N 1 0 393.451 2.554 20 0 GFADRO CC[C@@](C)([NH2+]CCS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)c1ccccc1 ZINC000825043442 608510871 /nfs/dbraw/zinc/51/08/71/608510871.db2.gz IBSFKCDMACZQKJ-LJQANCHMSA-N 1 0 385.493 2.555 20 0 GFADRO Cc1oc2ccccc2c1C[NH+]1CCN(c2cc(-c3nn[nH]n3)ccn2)CC1 ZINC000826342242 608513605 /nfs/dbraw/zinc/51/36/05/608513605.db2.gz CCMRMKVXQFNJHH-UHFFFAOYSA-N 1 0 375.436 2.639 20 0 GFADRO CN(C)C1(C[NH2+][C@@H]2CCCc3cc(-c4nn[nH]n4)ccc32)Cc2ccccc2C1 ZINC000825848296 608514473 /nfs/dbraw/zinc/51/44/73/608514473.db2.gz BTPHFCCUXFYTJH-OAQYLSRUSA-N 1 0 388.519 2.933 20 0 GFADRO O=C1[C@@H]([NH2+][C@@H]2CCCc3cc(-c4nn[nH]n4)ccc32)CCN1C1CCCCC1 ZINC000826476551 608523725 /nfs/dbraw/zinc/52/37/25/608523725.db2.gz KHCLSGVMVKTHIL-MOPGFXCFSA-N 1 0 380.496 2.767 20 0 GFADRO COc1cc(-c2nn[nH]n2)ccc1OCC[NH2+][C@H](C)c1ccc(F)cc1F ZINC000826176270 608527737 /nfs/dbraw/zinc/52/77/37/608527737.db2.gz IENCGTPRTWGJGV-LLVKDONJSA-N 1 0 375.379 2.883 20 0 GFADRO C[C@@H]([NH2+]CCC(=O)Nc1sccc1-c1nn[nH]n1)c1ccc(F)cc1F ZINC000826231835 608527921 /nfs/dbraw/zinc/52/79/21/608527921.db2.gz DPOQIVKGOKKKLG-SECBINFHSA-N 1 0 378.408 2.886 20 0 GFADRO C[C@H](NC(=O)C[NH2+]C1(c2cccc(-c3nn[nH]n3)c2)CC1)c1ccc(Cl)cc1 ZINC000824477966 608530464 /nfs/dbraw/zinc/53/04/64/608530464.db2.gz DOZHPVPDNZFMIS-ZDUSSCGKSA-N 1 0 396.882 2.976 20 0 GFADRO CC[N@H+](Cc1cnc(N2CCOCC2)s1)[C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000825445273 608551395 /nfs/dbraw/zinc/55/13/95/608551395.db2.gz YVOABLQTKNALBO-AWEZNQCLSA-N 1 0 399.524 2.743 20 0 GFADRO O[C@H](C[NH2+][C@@H](C[C@H]1CCOC1)c1ccccc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000826502443 608552964 /nfs/dbraw/zinc/55/29/64/608552964.db2.gz CRNCQTHTIZMOGN-UIAACRFSSA-N 1 0 379.464 2.658 20 0 GFADRO CC(C)(C)c1n[nH]cc1C[NH2+]C1CCC(Oc2ccc(-c3nn[nH]n3)cn2)CC1 ZINC000824136708 608569065 /nfs/dbraw/zinc/56/90/65/608569065.db2.gz VHODVQCTSFAVRE-UHFFFAOYSA-N 1 0 396.499 2.762 20 0 GFADRO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC000824108421 608578712 /nfs/dbraw/zinc/57/87/12/608578712.db2.gz FRZONZDUGRIFPW-LSDHHAIUSA-N 1 0 376.436 2.541 20 0 GFADRO C[C@@H]([NH2+]CCCOc1ccc(-c2nn[nH]n2)cc1)c1ccc([S@](C)=O)cc1 ZINC000824592377 608579234 /nfs/dbraw/zinc/57/92/34/608579234.db2.gz MRARBXBWDJMJJY-ASHKIFAZSA-N 1 0 385.493 2.724 20 0 GFADRO C[N@H+](Cc1ccc(-c2nn[nH]n2)s1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000825961927 608598166 /nfs/dbraw/zinc/59/81/66/608598166.db2.gz PHSUXMKMUWQVBA-UHFFFAOYSA-N 1 0 378.502 2.760 20 0 GFADRO C[C@H]1C[N@H+](C)[C@@H](C)CN1C(=O)c1ccccc1-c1ccccc1-c1nn[nH]n1 ZINC000824975383 608634706 /nfs/dbraw/zinc/63/47/06/608634706.db2.gz JZRFBCKSAVVONG-GJZGRUSLSA-N 1 0 376.464 2.698 20 0 GFADRO Cc1ccc(C)n1C1CC[NH+](Cc2cnc3ccc(-c4nn[nH]n4)cn23)CC1 ZINC000826285020 608657182 /nfs/dbraw/zinc/65/71/82/608657182.db2.gz NNSZRIBJZUMHNO-UHFFFAOYSA-N 1 0 376.468 2.770 20 0 GFADRO c1cc(-c2nn[nH]n2)oc1CN1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000826521126 608696778 /nfs/dbraw/zinc/69/67/78/608696778.db2.gz AEZPDHJBIOZTCY-OAQYLSRUSA-N 1 0 378.480 2.948 20 0 GFADRO c1nc2ccc(-c3nn[nH]n3)cn2c1CNc1cccc(CC[NH+]2CCCC2)c1 ZINC000826515651 608760329 /nfs/dbraw/zinc/76/03/29/608760329.db2.gz GLWMLEYOSNDHHV-UHFFFAOYSA-N 1 0 388.479 2.765 20 0 GFADRO C[C@@H]1Cc2cc(F)ccc2[C@@H](C)[N@@H+]1C[C@@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000825012793 608806271 /nfs/dbraw/zinc/80/62/71/608806271.db2.gz LRDZAFQBWXPSJK-HBUWYVDXSA-N 1 0 397.454 2.753 20 0 GFADRO C[C@@H]1CC[C@@H](C(F)(F)F)C[N@@H+]1CCC(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000824907752 609148807 /nfs/dbraw/zinc/14/88/07/609148807.db2.gz KFTYNPJOPFRXTI-DGCLKSJQSA-N 1 0 382.390 2.858 20 0 GFADRO COc1ccccc1N1CC[C@@H]([NH2+][C@H](C)c2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC000826220634 609150254 /nfs/dbraw/zinc/15/02/54/609150254.db2.gz UMVYDEIMHLGYQD-UKRRQHHQSA-N 1 0 382.443 2.944 20 0 GFADRO C[N@H+](Cc1ccccc1CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)C1CCCCC1 ZINC000825980511 609200867 /nfs/dbraw/zinc/20/08/67/609200867.db2.gz BYNWLVCJEQNSJX-UHFFFAOYSA-N 1 0 393.495 2.889 20 0 GFADRO CC(=O)Nc1ccc(NC2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)cc1 ZINC000824000076 609266969 /nfs/dbraw/zinc/26/69/69/609266969.db2.gz SRLQYYQADNFVPS-UHFFFAOYSA-N 1 0 391.479 2.902 20 0 GFADRO O=C(CC[N@@H+]1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1)c1ccccc1 ZINC000826407465 609268178 /nfs/dbraw/zinc/26/81/78/609268178.db2.gz NVRXTCIHLJKZEU-UHFFFAOYSA-N 1 0 390.491 2.647 20 0 GFADRO Cn1cnc2cc(NC3CC[NH+](Cc4ccc(-c5nn[nH]n5)cc4)CC3)ccc21 ZINC000826365649 609280280 /nfs/dbraw/zinc/28/02/80/609280280.db2.gz XBELSZMWJBJHPO-UHFFFAOYSA-N 1 0 388.479 2.830 20 0 GFADRO C[C@@H]1CCC[N@H+](CCCCNC(=O)c2ccc(Cl)c(-c3nn[nH]n3)c2)C1 ZINC000824950150 609288427 /nfs/dbraw/zinc/28/84/27/609288427.db2.gz ZUPHUWQTPWKHIB-CYBMUJFWSA-N 1 0 376.892 2.762 20 0 GFADRO Cc1cccc(C)c1OC[C@@H](O)C[NH2+][C@@H](C)c1ccc(-c2nn[nH]n2)cc1F ZINC000826296774 609329643 /nfs/dbraw/zinc/32/96/43/609329643.db2.gz IRRUKTGBHZVLPQ-HOCLYGCPSA-N 1 0 385.443 2.713 20 0 GFADRO C[C@@H]1CCCC[C@H]1OCC[NH2+]Cc1cn(C)nc1-c1ccc(-c2nn[nH]n2)cc1 ZINC000824935421 609336350 /nfs/dbraw/zinc/33/63/50/609336350.db2.gz AZNGTYDONVBHEA-DNVCBOLYSA-N 1 0 395.511 2.952 20 0 GFADRO C[C@H](C[NH2+]Cc1cn(C)nc1-c1ccc(-c2nn[nH]n2)cc1)N1CCCC[C@@H]1C ZINC000824938929 609336567 /nfs/dbraw/zinc/33/65/67/609336567.db2.gz WZKOPQMCZJLMTB-JKSUJKDBSA-N 1 0 394.527 2.620 20 0 GFADRO C[C@H](C[NH2+]Cc1cn(C)nc1-c1ccc(-c2nn[nH]n2)cc1)N1CCCC[C@H]1C ZINC000824938925 609336582 /nfs/dbraw/zinc/33/65/82/609336582.db2.gz WZKOPQMCZJLMTB-HZPDHXFCSA-N 1 0 394.527 2.620 20 0 GFADRO C[C@@H]([NH2+]CC1(N(C)C)Cc2ccccc2C1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824576444 609337158 /nfs/dbraw/zinc/33/71/58/609337158.db2.gz AKSCUKPUZCPGCX-CQSZACIVSA-N 1 0 380.471 2.756 20 0 GFADRO Brc1cc(-c2nn[nH]n2)ccc1C[N@@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000823821369 609360593 /nfs/dbraw/zinc/36/05/93/609360593.db2.gz SYOUGJJPRXEDTI-CQSZACIVSA-N 1 0 388.273 2.663 20 0 GFADRO CC[C@H]([NH2+]Cc1ccc(-c2nn[nH]n2)cc1Br)C1CCOCC1 ZINC000825144331 609369190 /nfs/dbraw/zinc/36/91/90/609369190.db2.gz YZPYADOPCWXTSE-HNNXBMFYSA-N 1 0 380.290 2.924 20 0 GFADRO O=C1[C@@H]([NH2+]Cc2ccccc2Cl)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826477311 609411937 /nfs/dbraw/zinc/41/19/37/609411937.db2.gz ZOQZCJCVRIKANH-KRWDZBQOSA-N 1 0 382.855 2.805 20 0 GFADRO O=C1[C@H]([NH2+]CCc2cccc(Cl)c2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476162 609413318 /nfs/dbraw/zinc/41/33/18/609413318.db2.gz BTXCXJNXPXNOGW-GOSISDBHSA-N 1 0 396.882 2.848 20 0 GFADRO C[C@@H]1CC[C@@]2(CC[N@@H+]([C@H]3CCCN(c4ccc(-c5nn[nH]n5)cc4)C3=O)C2)C1 ZINC000824919265 609433671 /nfs/dbraw/zinc/43/36/71/609433671.db2.gz SPPJIVQKYZVOTB-FYINFDKHSA-N 1 0 380.496 2.874 20 0 GFADRO C[C@H](NC(=O)Nc1cccc(-c2nn[nH]n2)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000824505522 609447361 /nfs/dbraw/zinc/44/73/61/609447361.db2.gz FKQBSXZZHCTYMA-YJBOKZPZSA-N 1 0 391.479 2.899 20 0 GFADRO CCOCCC[N@@H+]1CC[C@H](Nc2ncc(Cl)c(C)c2-c2nn[nH]n2)[C@H](C)C1 ZINC000825593850 609554527 /nfs/dbraw/zinc/55/45/27/609554527.db2.gz FSIXMGUDGDXRMB-DOMZBBRYSA-N 1 0 393.923 2.772 20 0 GFADRO Cc1cc(C[NH2+]C2CCN(c3ccc(-c4nn[nH]n4)cn3)CC2)ccc1Cl ZINC000826267144 609591943 /nfs/dbraw/zinc/59/19/43/609591943.db2.gz UEQCZSGXALLSDS-UHFFFAOYSA-N 1 0 383.887 2.982 20 0 GFADRO Cc1nn(-c2ccccc2)c(C[NH+]2CCC([C@H]3CCOC3)CC2)c1-c1nn[nH]n1 ZINC000826332547 609609352 /nfs/dbraw/zinc/60/93/52/609609352.db2.gz XICPBEUSNNVFTC-KRWDZBQOSA-N 1 0 393.495 2.609 20 0 GFADRO CCSc1nnc(NC(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)s1 ZINC000532643819 650028968 /nfs/dbraw/zinc/02/89/68/650028968.db2.gz QXOIOOBASZLJTE-STQMWFEESA-N 1 0 385.559 2.540 20 0 GFADRO O=C(CNC(=O)c1sccc1SC(F)F)NCC[NH+]1CCCCCC1 ZINC000817164687 660184648 /nfs/dbraw/zinc/18/46/48/660184648.db2.gz RPDZTIANLKSBRG-UHFFFAOYSA-N 1 0 391.509 2.785 20 0 GFADRO C[NH+](C)CCn1ccc(NC(=O)[C@@H]2C[C@H]2c2ccc(Br)cc2)n1 ZINC000523071053 650631676 /nfs/dbraw/zinc/63/16/76/650631676.db2.gz KOCINLSLPDJTSA-LSDHHAIUSA-N 1 0 377.286 2.949 20 0 GFADRO CN(C[C@H](O)COc1ccc(Cl)cc1Br)C[C@H]1CCC[N@@H+]1C ZINC000817289727 660189300 /nfs/dbraw/zinc/18/93/00/660189300.db2.gz CPGAHYKJZNMSCT-KGLIPLIRSA-N 1 0 391.737 2.868 20 0 GFADRO Cc1cc(NC(=O)CC[NH2+][C@@H](CCO)c2ccccc2Br)no1 ZINC000541023187 650869027 /nfs/dbraw/zinc/86/90/27/650869027.db2.gz BSQYZDNVEALELT-AWEZNQCLSA-N 1 0 382.258 2.787 20 0 GFADRO CCS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCCC[C@H]2[C@H]2CC[NH2+]C2)c1 ZINC000818000094 660213166 /nfs/dbraw/zinc/21/31/66/660213166.db2.gz FUAQYTPLRNIGMM-GUYCJALGSA-N 1 0 384.929 2.738 20 0 GFADRO Cc1cc(C(=O)N2CC[C@@]3(CCC[NH2+]3)C2)nn1-c1ccc(Br)cc1 ZINC000818019304 660213953 /nfs/dbraw/zinc/21/39/53/660213953.db2.gz SXLSLEMBUSHANW-SFHVURJKSA-N 1 0 389.297 2.911 20 0 GFADRO C[C@@H]1C[C@H](C)N(C(=O)/C=C/c2ccc(I)o2)C[C@H]1C[NH3+] ZINC000818021645 660214235 /nfs/dbraw/zinc/21/42/35/660214235.db2.gz DAKLFSLBPGCMEG-VEBUJCTMSA-N 1 0 388.249 2.729 20 0 GFADRO CCN(CC)S(=O)(=O)c1ccc(C[NH2+]C[C@H](O)c2ccccc2F)s1 ZINC000818945948 660236274 /nfs/dbraw/zinc/23/62/74/660236274.db2.gz WCZHGPFDQKLSPV-INIZCTEOSA-N 1 0 386.514 2.741 20 0 GFADRO CCN(CC)S(=O)(=O)c1ccc(C[NH2+]C[C@H](O)c2ccc(C)cc2)s1 ZINC000818945477 660236380 /nfs/dbraw/zinc/23/63/80/660236380.db2.gz HLOBZVUJIKRVSE-KRWDZBQOSA-N 1 0 382.551 2.910 20 0 GFADRO O[C@@H](C[NH2+]CCc1nnc2n1CCCCC2)c1ccc(Br)cc1 ZINC000818946496 660236792 /nfs/dbraw/zinc/23/67/92/660236792.db2.gz PIAHROBWYNXHOQ-HNNXBMFYSA-N 1 0 379.302 2.633 20 0 GFADRO Cn1ccnc1[C@@](O)(CC[NH2+]C[C@H](O)c1ccc(Cl)cc1)C(F)(F)F ZINC000818970351 660239256 /nfs/dbraw/zinc/23/92/56/660239256.db2.gz NNFOEXOXIOMNAU-ZFWWWQNUSA-N 1 0 377.794 2.537 20 0 GFADRO Cc1ncc2c(n1)CCC[C@@H]2[NH2+]C[C@H](O)COc1ccc(Br)cc1 ZINC000819080789 660245801 /nfs/dbraw/zinc/24/58/01/660245801.db2.gz INPLFPGJKRTFPK-YOEHRIQHSA-N 1 0 392.297 2.954 20 0 GFADRO CC(C)N1CC[C@@H]([NH2+]C[C@@](C)(O)c2ccc(Br)cc2Cl)C1=O ZINC000819073626 660245473 /nfs/dbraw/zinc/24/54/73/660245473.db2.gz WNZYNYVKYITIKD-GDBMZVCRSA-N 1 0 389.721 2.909 20 0 GFADRO COC(=O)N1CCC[C@H]([NH2+]C[C@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000819001269 660242856 /nfs/dbraw/zinc/24/28/56/660242856.db2.gz ARRSZUFNQYLZSY-RYUDHWBXSA-N 1 0 377.268 2.554 20 0 GFADRO O[C@H](C[NH2+]CCc1ccc(I)s1)c1ccc(F)cn1 ZINC000819005321 660243150 /nfs/dbraw/zinc/24/31/50/660243150.db2.gz MMTJLWMTJLKRHI-GFCCVEGCSA-N 1 0 392.237 2.753 20 0 GFADRO COc1cc(Br)c(C[NH2+]C[C@H](O)c2ccc(F)cn2)cc1OC ZINC000819007471 660243151 /nfs/dbraw/zinc/24/31/51/660243151.db2.gz YIYWMCMCUYGOQO-AWEZNQCLSA-N 1 0 385.233 2.824 20 0 GFADRO O[C@H](C[NH2+][C@@H]1CCN(c2ccc(Br)cc2)C1)c1ccc(F)cn1 ZINC000819015503 660243263 /nfs/dbraw/zinc/24/32/63/660243263.db2.gz IGSMUUURDMUVMF-RHSMWYFYSA-N 1 0 380.261 2.885 20 0 GFADRO CC(C)(C)OC(=O)NCC[C@H](O)C[NH2+]CCc1ccc(Br)cc1 ZINC000819079933 660245843 /nfs/dbraw/zinc/24/58/43/660245843.db2.gz CJOQHVUIHKRFIT-HNNXBMFYSA-N 1 0 387.318 2.857 20 0 GFADRO CNC(=O)C1CCC([NH2+]C[C@](C)(O)c2ccc(Br)cc2F)CC1 ZINC000819229212 660250921 /nfs/dbraw/zinc/25/09/21/660250921.db2.gz KUXCZSZTFSZYII-YUNLISADSA-N 1 0 387.293 2.690 20 0 GFADRO C[C@H](CO[C@@H]1CCOC1)[NH2+]C[C@@](C)(O)c1ccc(Br)cc1F ZINC000819146725 660248016 /nfs/dbraw/zinc/24/80/16/660248016.db2.gz BZDSTDGXGKTDDR-AXAPSJFSSA-N 1 0 376.266 2.579 20 0 GFADRO CNC(=O)C(C)(C)C[NH2+]C[C@@](C)(O)c1ccc(Br)cc1Cl ZINC000819180738 660249073 /nfs/dbraw/zinc/24/90/73/660249073.db2.gz XDMAFMJBXBUIQN-OAHLLOKOSA-N 1 0 377.710 2.672 20 0 GFADRO C[NH+]1CCN(c2ccc(Br)cc2NC(=O)/C=C/[C@@H]2CCCO2)CC1 ZINC000819186304 660249362 /nfs/dbraw/zinc/24/93/62/660249362.db2.gz XVCJJHUCXVYZLC-ZKKXHLJNSA-N 1 0 394.313 2.875 20 0 GFADRO CS(=O)(=O)c1ccc([C@H](O)C[NH2+]Cc2cc(F)c(Cl)cc2F)cc1 ZINC000819272544 660253085 /nfs/dbraw/zinc/25/30/85/660253085.db2.gz YRIKCIZELYHWPD-MRXNPFEDSA-N 1 0 375.824 2.845 20 0 GFADRO CNC(=O)C[C@H]([NH2+]C[C@H](O)c1cccc(Br)c1)c1ccccc1 ZINC000819280582 660253560 /nfs/dbraw/zinc/25/35/60/660253560.db2.gz JUQICALYSUCNRO-IRXDYDNUSA-N 1 0 377.282 2.950 20 0 GFADRO Cn1ccnc1[C@@H]1C[C@H]([NH2+]C[C@H](O)c2ccc(Br)cc2)CCO1 ZINC000819359965 660256892 /nfs/dbraw/zinc/25/68/92/660256892.db2.gz GENFXDXGHOGLCA-PMPSAXMXSA-N 1 0 380.286 2.726 20 0 GFADRO COCC1(C[NH2+]C[C@@](C)(O)c2ccc(Br)cc2F)CCOCC1 ZINC000819326497 660254941 /nfs/dbraw/zinc/25/49/41/660254941.db2.gz POCQMJSQEYXYJS-MRXNPFEDSA-N 1 0 390.293 2.829 20 0 GFADRO CCC[C@@H](C)C(=O)NCC[NH2+]C[C@@](C)(O)c1ccc(Br)cc1F ZINC000819329950 660255067 /nfs/dbraw/zinc/25/50/67/660255067.db2.gz MIJXDHYJLVBVDR-SJKOYZFVSA-N 1 0 389.309 2.938 20 0 GFADRO O=S1(=O)C[C@H](C[NH2+]C[C@H](O)c2cccc(Br)c2)c2ccccc21 ZINC000819336299 660255541 /nfs/dbraw/zinc/25/55/41/660255541.db2.gz FFRZEYSEHFKRDS-BBRMVZONSA-N 1 0 396.306 2.643 20 0 GFADRO CS(=O)(=O)c1ccc([C@H](O)C[NH2+]CCOc2ccc(F)c(Cl)c2)cc1 ZINC000819342288 660255721 /nfs/dbraw/zinc/25/57/21/660255721.db2.gz ZJCWTRXNASLFPJ-QGZVFWFLSA-N 1 0 387.860 2.585 20 0 GFADRO O=c1ccc(Br)cn1CC[NH2+]C[C@H](O)c1ccc(Cl)c(F)c1 ZINC000819339678 660255733 /nfs/dbraw/zinc/25/57/33/660255733.db2.gz SBUFJIZONYWSEY-AWEZNQCLSA-N 1 0 389.652 2.727 20 0 GFADRO Cn1nccc1[C@@H]1C[C@@H]([NH2+]C[C@H](O)c2ccc(Br)cc2)CCO1 ZINC000819355414 660256533 /nfs/dbraw/zinc/25/65/33/660256533.db2.gz UWIAFZVHUPHRKX-XIRDDKMYSA-N 1 0 380.286 2.726 20 0 GFADRO C[C@]1(C(=O)NC2CC[NH+](C3CC3)CC2)CC1(Br)Br ZINC000820200590 660284789 /nfs/dbraw/zinc/28/47/89/660284789.db2.gz MNIPEEXVAGANKP-GFCCVEGCSA-N 1 0 380.124 2.626 20 0 GFADRO C[C@H](C[NH+]1CCCCC1)NS(=O)(=O)c1cnc(Cl)c(Br)c1 ZINC000820796378 660306372 /nfs/dbraw/zinc/30/63/72/660306372.db2.gz IEMLWOLYVZWDAX-SNVBAGLBSA-N 1 0 396.738 2.650 20 0 GFADRO C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1ccc3c(Br)cnn3c1)C2 ZINC000821025801 660313568 /nfs/dbraw/zinc/31/35/68/660313568.db2.gz KULWBMONTZBCLL-KRWDZBQOSA-N 1 0 377.286 2.655 20 0 GFADRO C[NH+](C)C[C@](C)(O)CNC(=O)C1(c2cc(Cl)cc(Br)c2)CC1 ZINC000821235054 660319001 /nfs/dbraw/zinc/31/90/01/660319001.db2.gz AIYKIDDBIZDLGK-OAHLLOKOSA-N 1 0 389.721 2.563 20 0 GFADRO CCn1ncc(C(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)c1Br ZINC000821969544 660337496 /nfs/dbraw/zinc/33/74/96/660337496.db2.gz ZVTIHIDYZPZAHN-BBRMVZONSA-N 1 0 391.313 2.916 20 0 GFADRO C[NH+]1CCC(OCC(=O)N[C@H]2CCc3c2ccc(F)c3Br)CC1 ZINC000821736583 660332256 /nfs/dbraw/zinc/33/22/56/660332256.db2.gz HIWDGXOOAMJKQP-HNNXBMFYSA-N 1 0 385.277 2.803 20 0 GFADRO C[C@](O)(C(=O)NC1CC[NH+](C2CCC2)CC1)c1ccc(F)c(Br)c1 ZINC000821891373 660336442 /nfs/dbraw/zinc/33/64/42/660336442.db2.gz BVYFUEFGEDBQDE-GOSISDBHSA-N 1 0 399.304 2.929 20 0 GFADRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C[C@H]2C(=O)Nc3c2cccc3Br)C1 ZINC000822159759 660341148 /nfs/dbraw/zinc/34/11/48/660341148.db2.gz PJWBWLGMHAVIRJ-TZMCWYRMSA-N 1 0 394.313 2.816 20 0 GFADRO Cc1cc(NC(=O)c2ncc(Br)cn2)ccc1OCC[NH+](C)C ZINC000822461929 660346140 /nfs/dbraw/zinc/34/61/40/660346140.db2.gz CLQYFRDTWSENJW-UHFFFAOYSA-N 1 0 379.258 2.740 20 0 GFADRO CC[NH+]1CCN(c2ccc(CNC(=O)C[C@]3(C)CC3(Cl)Cl)cn2)CC1 ZINC000822545696 660347605 /nfs/dbraw/zinc/34/76/05/660347605.db2.gz IFAQMCGMDVMSFA-QGZVFWFLSA-N 1 0 385.339 2.814 20 0 GFADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)C(F)(F)c1ccccc1Br ZINC000822880208 660356529 /nfs/dbraw/zinc/35/65/29/660356529.db2.gz ZLLMEPJDPSUYBS-RYUDHWBXSA-N 1 0 389.240 2.520 20 0 GFADRO O=S(=O)(Cc1noc([C@@H]2C[C@]23CC[NH2+]C3)n1)c1cc(Cl)ccc1Cl ZINC000822901217 660357371 /nfs/dbraw/zinc/35/73/71/660357371.db2.gz PGQKLIBKIVTIFY-BONVTDFDSA-N 1 0 388.276 2.817 20 0 GFADRO [NH3+]CCCCCc1nc(Cc2cc(Br)c3c(c2)OCCO3)no1 ZINC000822947366 660358756 /nfs/dbraw/zinc/35/87/56/660358756.db2.gz SCQBBTQIEFFSIL-UHFFFAOYSA-N 1 0 382.258 2.866 20 0 GFADRO COc1ccc(Cc2noc([C@@H]3C[C@]34CC[NH2+]C4)n2)c(Br)c1OC ZINC000822947720 660358767 /nfs/dbraw/zinc/35/87/67/660358767.db2.gz ZBGJSJSKQAJWNU-GTNSWQLSSA-N 1 0 394.269 2.907 20 0 GFADRO Brc1ccc(C2(c3noc(C[C@@H]4COCC[NH2+]4)n3)CCC2)s1 ZINC000823189537 660364406 /nfs/dbraw/zinc/36/44/06/660364406.db2.gz GMDIDPXGLANEPU-SNVBAGLBSA-N 1 0 384.299 2.895 20 0 GFADRO CCCOc1c(Br)cc(-c2nc(N3CC[NH2+]CC3)no2)cc1OC ZINC000823329614 660368487 /nfs/dbraw/zinc/36/84/87/660368487.db2.gz BEPUQDYHGUULLF-UHFFFAOYSA-N 1 0 397.273 2.706 20 0 GFADRO COC(=O)[C@@H]1C[N@H+](CC[C@@H]2CCOC2=O)C[C@H]1c1ccc(Br)cc1 ZINC000823491964 660373539 /nfs/dbraw/zinc/37/35/39/660373539.db2.gz DOVVTPDZEDVPRN-VNQPRFMTSA-N 1 0 396.281 2.591 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)c1c(Br)nc2n1CCC2)c1ccccc1 ZINC000823564644 660374907 /nfs/dbraw/zinc/37/49/07/660374907.db2.gz YOHHSDOOKLZUKI-CYBMUJFWSA-N 1 0 377.286 2.625 20 0 GFADRO Cc1cc(Br)nc(NC(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)c1 ZINC000823719064 660378680 /nfs/dbraw/zinc/37/86/80/660378680.db2.gz OOTTZURWQHMUEW-CYBMUJFWSA-N 1 0 383.290 2.527 20 0 GFADRO Cn1nc(C(=O)N2CCC[N@H+](Cc3ccccc3)CC2)cc1Br ZINC000823899619 660382663 /nfs/dbraw/zinc/38/26/63/660382663.db2.gz KIZWIUMQJKKKJR-UHFFFAOYSA-N 1 0 377.286 2.531 20 0 GFADRO O=S(=O)(N1CCC([NH2+][C@@H]2CCCc3ccccc3C2)CC1)C(F)(F)F ZINC000824018787 660384055 /nfs/dbraw/zinc/38/40/55/660384055.db2.gz WTYIICNQVJQJJS-MRXNPFEDSA-N 1 0 376.444 2.838 20 0 GFADRO COc1cc(/C=C/C(=O)N[C@H]2C[C@@H]([NH+]3CCCC3)C2)cc(Br)c1O ZINC000824101095 660385367 /nfs/dbraw/zinc/38/53/67/660385367.db2.gz GYEVKZMAFXHKGH-TWRSITDPSA-N 1 0 395.297 2.920 20 0 GFADRO COCC(C)(C)[NH+]1CCN(C(=O)Nc2ccc(C)nc2Br)CC1 ZINC000824247309 660388090 /nfs/dbraw/zinc/38/80/90/660388090.db2.gz OWNONLMQGBFWQZ-UHFFFAOYSA-N 1 0 385.306 2.727 20 0 GFADRO C[N@@H+]1CC[C@H](CC(=O)N2CC[C@@]3(C)[C@@H](C2)C3(Br)Br)C1 ZINC000824396573 660391311 /nfs/dbraw/zinc/39/13/11/660391311.db2.gz ZFNUKGOOCBRMAG-WZRBSPASSA-N 1 0 394.151 2.683 20 0 GFADRO C[C@@H](COc1ccc(Cl)c(Cl)c1)[NH2+]CCS(=O)(=O)C1CCOCC1 ZINC000824903935 660404709 /nfs/dbraw/zinc/40/47/09/660404709.db2.gz QHUVDZQKZMRERI-LBPRGKRZSA-N 1 0 396.336 2.944 20 0 GFADRO CC(C)(C)OC(=O)N1CCCO[C@H](C[NH2+][C@@H]2CC[C@@H]3SCCS[C@H]23)C1 ZINC000825168644 660413155 /nfs/dbraw/zinc/41/31/55/660413155.db2.gz MUOIKGIOGGUEMX-LVQVYYBASA-N 1 0 388.599 2.982 20 0 GFADRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2c(Br)nc3n2CCC3)C1 ZINC000825129856 660412164 /nfs/dbraw/zinc/41/21/64/660412164.db2.gz GSRMRMYSRVLZEV-CHWSQXEVSA-N 1 0 383.334 2.690 20 0 GFADRO C[C@](CO)([NH2+]Cc1ccc(OCC(N)=O)cc1)c1cc(Cl)cc(Cl)c1 ZINC000825130016 660412165 /nfs/dbraw/zinc/41/21/65/660412165.db2.gz KKCJBNHNBVBTSM-GOSISDBHSA-N 1 0 383.275 2.855 20 0 GFADRO COc1cc(C[NH2+]C[C@H](O)c2ccccc2Br)cc(OC)c1O ZINC000825343005 660421676 /nfs/dbraw/zinc/42/16/76/660421676.db2.gz HIAXWGMMASMZGT-AWEZNQCLSA-N 1 0 382.254 2.995 20 0 GFADRO COC(=O)[C@@H](c1ccc(Br)s1)N(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000825381286 660423939 /nfs/dbraw/zinc/42/39/39/660423939.db2.gz MCIQQLKPCBPESE-IINYFYTJSA-N 1 0 389.315 2.525 20 0 GFADRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2cc(Br)n(C)n2)C1 ZINC000825390025 660424649 /nfs/dbraw/zinc/42/46/49/660424649.db2.gz XMQFVRJEFVQOOG-TZMCWYRMSA-N 1 0 377.286 2.748 20 0 GFADRO Cn1nc(C(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1Br ZINC000825467496 660429052 /nfs/dbraw/zinc/42/90/52/660429052.db2.gz XQGKKXTYFNFFIN-OAHLLOKOSA-N 1 0 391.313 2.825 20 0 GFADRO C[NH+](C)[C@@H]1C[C@@H](NC(=O)c2nc(C3CC3)ncc2Br)C12CCC2 ZINC000825519043 660431728 /nfs/dbraw/zinc/43/17/28/660431728.db2.gz ISDBRJOTQYZXTO-CHWSQXEVSA-N 1 0 379.302 2.719 20 0 GFADRO CC1CC[NH+](C[C@H]2CCCN(C(=O)c3cc(Br)n(C)n3)C2)CC1 ZINC000825529895 660432067 /nfs/dbraw/zinc/43/20/67/660432067.db2.gz NVGUNLMVEHOVID-CQSZACIVSA-N 1 0 383.334 2.767 20 0 GFADRO CC1CC[NH+](C[C@@H]2CCCN(C(=O)c3cc(Br)n(C)n3)C2)CC1 ZINC000825529894 660432123 /nfs/dbraw/zinc/43/21/23/660432123.db2.gz NVGUNLMVEHOVID-AWEZNQCLSA-N 1 0 383.334 2.767 20 0 GFADRO C[C@H]1CCC[C@@H](CC[NH+](C)C)N1C(=O)c1cc(Br)cn2ncnc12 ZINC000825586838 660434158 /nfs/dbraw/zinc/43/41/58/660434158.db2.gz LKKHSXDUIKFZNC-JSGCOSHPSA-N 1 0 394.317 2.827 20 0 GFADRO O=C(C=C1CC[NH2+]CC1)NCc1ccc(I)c(Cl)c1 ZINC000852888092 661876452 /nfs/dbraw/zinc/87/64/52/661876452.db2.gz DOEABLFJNHHKLH-UHFFFAOYSA-N 1 0 390.652 2.871 20 0 GFADRO O=C(NC[C@H]1CC[N@@H+]1C1CCCCC1)c1cc(Br)cn2ncnc12 ZINC000827078253 660477850 /nfs/dbraw/zinc/47/78/50/660477850.db2.gz LHDIYAFPPFGNBU-CQSZACIVSA-N 1 0 392.301 2.629 20 0 GFADRO COc1ccc(CCC(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)c(Br)c1 ZINC000827216651 660484776 /nfs/dbraw/zinc/48/47/76/660484776.db2.gz BXCGMXOIFYBLNF-WMLDXEAASA-N 1 0 381.314 2.943 20 0 GFADRO CC(C)(C)[NH+]1CCC(NC(=O)C(=O)NCc2ccc(Cl)c(Cl)c2)CC1 ZINC000827326130 660489047 /nfs/dbraw/zinc/48/90/47/660489047.db2.gz GNDJOQJBVJUYHS-UHFFFAOYSA-N 1 0 386.323 2.989 20 0 GFADRO CCOc1cc(C[N@H+](C)CCN(C)C(=O)OC)cc(Br)c1OC ZINC000827334422 660489635 /nfs/dbraw/zinc/48/96/35/660489635.db2.gz CFCZLCDCSNJKON-UHFFFAOYSA-N 1 0 389.290 2.986 20 0 GFADRO C[N@@H+]1CC[C@H]2CN(C(=O)c3ccc(F)cc3I)CC[C@@H]21 ZINC000827337647 660489683 /nfs/dbraw/zinc/48/96/83/660489683.db2.gz MEUJVDMIMOSEPV-HZMBPMFUSA-N 1 0 388.224 2.597 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(I)cc3F)CC[C@@H]21 ZINC000827245127 660485942 /nfs/dbraw/zinc/48/59/42/660485942.db2.gz IKNZLACTMCIEBE-YGRLFVJLSA-N 1 0 388.224 2.597 20 0 GFADRO CC(C)[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000827253476 660486283 /nfs/dbraw/zinc/48/62/83/660486283.db2.gz HSZKXECCFMFCAE-HEHGZKQESA-N 1 0 383.945 2.709 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3cnn(-c4ccccc4)c3Br)CC[C@@H]21 ZINC000827287496 660487832 /nfs/dbraw/zinc/48/78/32/660487832.db2.gz KXTUNXSTZATKLF-CJNGLKHVSA-N 1 0 389.297 2.801 20 0 GFADRO C[NH+](C)C1(C)CCN(C(=O)C[C@H]2C(=O)Nc3c2cccc3Br)CC1 ZINC000827779369 660514614 /nfs/dbraw/zinc/51/46/14/660514614.db2.gz ZQRSBCUGAWWQGJ-CYBMUJFWSA-N 1 0 394.313 2.818 20 0 GFADRO C[C@@H](CS(C)(=O)=O)[N@H+](C)CCCC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000827920472 660522991 /nfs/dbraw/zinc/52/29/91/660522991.db2.gz ZWACLBYPQHDECX-HNNXBMFYSA-N 1 0 376.563 2.779 20 0 GFADRO C[N@@H+]1CCN(C(=O)c2cc(Br)c3nccnc3c2)CCC1(C)C ZINC000828299621 660543107 /nfs/dbraw/zinc/54/31/07/660543107.db2.gz FWNIWMHBLJNBPU-UHFFFAOYSA-N 1 0 377.286 2.949 20 0 GFADRO Cn1c(C(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)cc2cc(Br)cnc21 ZINC000828512083 660553523 /nfs/dbraw/zinc/55/35/23/660553523.db2.gz PWZFIBGTDUVVIG-BXUZGUMPSA-N 1 0 377.286 2.502 20 0 GFADRO C[NH+](C)Cc1ccc(C(=O)N[C@@H]2[C@@H]3Cc4ccc(Br)cc4[C@@H]32)cn1 ZINC000828734870 660566952 /nfs/dbraw/zinc/56/69/52/660566952.db2.gz IGFZYCVEOJBTSR-FGTMMUONSA-N 1 0 386.293 2.974 20 0 GFADRO Cn1cc(Br)c(C(=O)N2CCC(C)([NH+]3CCCCC3)CC2)cc1=O ZINC000828786958 660570108 /nfs/dbraw/zinc/57/01/08/660570108.db2.gz BDTWCLXFMPRLOQ-UHFFFAOYSA-N 1 0 396.329 2.628 20 0 GFADRO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)C[C@H]1C(=O)Nc2c1cccc2Br ZINC000828958469 660576439 /nfs/dbraw/zinc/57/64/39/660576439.db2.gz FOICMCAVJZNOPV-BPLDGKMQSA-N 1 0 392.297 2.570 20 0 GFADRO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)C[C@H]1C(=O)Nc2c1cccc2Br ZINC000828958471 660576505 /nfs/dbraw/zinc/57/65/05/660576505.db2.gz FOICMCAVJZNOPV-VHDGCEQUSA-N 1 0 392.297 2.570 20 0 GFADRO Cn1c(C(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3C)cc2cc(Br)cnc21 ZINC000828958889 660576773 /nfs/dbraw/zinc/57/67/73/660576773.db2.gz JRUANZCUSPCGPE-UONOGXRCSA-N 1 0 377.286 2.645 20 0 GFADRO Cc1ccc(Br)c(C(=O)N2CCN(c3cc[nH+]cc3)[C@@H](C)C2)n1 ZINC000829215195 660585514 /nfs/dbraw/zinc/58/55/14/660585514.db2.gz MVJHBUMHETUMBS-ZDUSSCGKSA-N 1 0 375.270 2.898 20 0 GFADRO CN(CC[NH+]1CC2(C1)CCOCC2)C(=O)[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000829257464 660587065 /nfs/dbraw/zinc/58/70/65/660587065.db2.gz IMTZBORGQYIXQI-MRXNPFEDSA-N 1 0 387.307 2.598 20 0 GFADRO O=C(c1c(Cl)nc2cc(Cl)ccn21)N1CC[NH+](C2CCOCC2)CC1 ZINC000829565805 660601025 /nfs/dbraw/zinc/60/10/25/660601025.db2.gz OMUGDGDAPVYPQQ-UHFFFAOYSA-N 1 0 383.279 2.578 20 0 GFADRO CC(C)CN(CC1CC[NH+](C)CC1)C(=O)c1c[nH]c(=O)c(Br)c1 ZINC000829578409 660601654 /nfs/dbraw/zinc/60/16/54/660601654.db2.gz GGSIVLVUXRJYAW-UHFFFAOYSA-N 1 0 384.318 2.990 20 0 GFADRO CCN([C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)S(=O)(=O)c1c[nH]nc1Cl ZINC000830150690 660638683 /nfs/dbraw/zinc/63/86/83/660638683.db2.gz LSARYEBUCGRPHW-ZFWWWQNUSA-N 1 0 382.917 2.909 20 0 GFADRO CN(C)C(=O)O[C@H]1CCC[N@H+](C[C@@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000830568373 660664789 /nfs/dbraw/zinc/66/47/89/660664789.db2.gz HICCUHIJDDTHKN-OLZOCXBDSA-N 1 0 391.295 2.896 20 0 GFADRO CCOC(=O)c1nc(NCC2([NH+](C)C)CCOCC2)ccc1Br ZINC000603292124 652691226 /nfs/dbraw/zinc/69/12/26/652691226.db2.gz HHYVOXSEJGLSNF-UHFFFAOYSA-N 1 0 386.290 2.544 20 0 GFADRO O=C(NCCCC[N@H+]1CCC[C@H]1CO)c1cc(Cl)nc(C(F)(F)F)c1 ZINC000830588762 660665703 /nfs/dbraw/zinc/66/57/03/660665703.db2.gz NHQUCIXVJLGSMP-LBPRGKRZSA-N 1 0 379.810 2.721 20 0 GFADRO C[C@]([NH3+])(C(=O)NCC(=O)OC1CCCCC1)c1ccc(Br)cc1 ZINC000831016652 660690855 /nfs/dbraw/zinc/69/08/55/660690855.db2.gz RYMGYKGUKJDBCL-QGZVFWFLSA-N 1 0 383.286 2.615 20 0 GFADRO [NH3+]CCCCCCNC(=O)NCc1nnc(-c2ccc(Br)cc2)[nH]1 ZINC000831132784 660698370 /nfs/dbraw/zinc/69/83/70/660698370.db2.gz JIMKPKFIEGQVGF-UHFFFAOYSA-N 1 0 395.305 2.553 20 0 GFADRO C[C@H](NC(=O)C[C@H]([NH3+])C1CC1)c1nc(-c2ccc(Br)cc2)no1 ZINC000831337421 660708484 /nfs/dbraw/zinc/70/84/84/660708484.db2.gz UNTMPFDJRBCUEB-ZANVPECISA-N 1 0 379.258 2.804 20 0 GFADRO CN(Cc1ncc(Cl)n1C)C(=O)[C@](C)([NH3+])c1ccc(Br)cc1 ZINC000831535479 660712221 /nfs/dbraw/zinc/71/22/21/660712221.db2.gz WWURLWZYNKFAEX-OAHLLOKOSA-N 1 0 385.693 2.669 20 0 GFADRO CC(C)[N@H+](C)C[C@@H](C)NS(=O)(=O)c1cnc(Cl)c(Br)c1 ZINC000831593464 660713914 /nfs/dbraw/zinc/71/39/14/660713914.db2.gz KCTPJPYOVNPTCT-SECBINFHSA-N 1 0 384.727 2.505 20 0 GFADRO CCO[C@H](CNC(=O)c1nc2ccccc2cc1Br)C[NH+](C)C ZINC000831718049 660721864 /nfs/dbraw/zinc/72/18/64/660721864.db2.gz IWHRUOUEMGSBMY-CYBMUJFWSA-N 1 0 380.286 2.694 20 0 GFADRO CCO[C@H](CNC(=O)CCCc1ccc(Br)s1)C[NH+](C)C ZINC000831770770 660725979 /nfs/dbraw/zinc/72/59/79/660725979.db2.gz DJPOOAYYAZDZBO-GFCCVEGCSA-N 1 0 377.348 2.916 20 0 GFADRO CC(C)c1nc(CC[NH2+]Cc2c(I)cnn2C)cs1 ZINC000894213982 663449319 /nfs/dbraw/zinc/44/93/19/663449319.db2.gz FNTFNIITRDCGLB-UHFFFAOYSA-N 1 0 390.294 2.937 20 0 GFADRO COC(=O)c1ccc(Cl)c(S(=O)(=O)NC(C)(C)CCC[NH+](C)C)c1 ZINC000832298893 660772195 /nfs/dbraw/zinc/77/21/95/660772195.db2.gz UTYYEYUIYQCKIS-UHFFFAOYSA-N 1 0 376.906 2.525 20 0 GFADRO O=C(N[C@@H]1CCC[N@@H+](CCCO)C1)C(F)(F)c1ccccc1Br ZINC000833574981 660808714 /nfs/dbraw/zinc/80/87/14/660808714.db2.gz OGUHCFXNNKHTGX-GFCCVEGCSA-N 1 0 391.256 2.504 20 0 GFADRO Cc1ccc(-n2nc(Br)cc2C(=O)N2CCC3(C[NH+](C)C3)C2)cc1 ZINC000834525775 660823391 /nfs/dbraw/zinc/82/33/91/660823391.db2.gz AUUHKDAFKXLJPL-UHFFFAOYSA-N 1 0 389.297 2.721 20 0 GFADRO Cc1ccc(/C=C/C(=O)N2CCC[C@](O)(C[NH+](C)C)C2)c(Br)c1 ZINC000834569662 660825311 /nfs/dbraw/zinc/82/53/11/660825311.db2.gz SKKMZLPIVLVDBF-DVBCCOPCSA-N 1 0 381.314 2.686 20 0 GFADRO C[C@@H]([NH2+]C[C@H](O)c1cnn(C)c1)c1ccc(F)c(I)c1 ZINC000834601886 660826137 /nfs/dbraw/zinc/82/61/37/660826137.db2.gz DEYYUOMMUXKLIH-OTYXRUKQSA-N 1 0 389.212 2.548 20 0 GFADRO COCCOC1(C[NH2+][C@@H](C)c2nc(Br)cs2)CCOCC1 ZINC000834856312 660835405 /nfs/dbraw/zinc/83/54/05/660835405.db2.gz ONCGHNZDNZHKMJ-NSHDSACASA-N 1 0 379.320 2.768 20 0 GFADRO C[C@@H]([NH2+]CCS(=O)(=O)C1CCOCC1)c1cc(Br)cs1 ZINC000834889041 660837060 /nfs/dbraw/zinc/83/70/60/660837060.db2.gz FFVBGNGTZRJMSL-SNVBAGLBSA-N 1 0 382.345 2.755 20 0 GFADRO CC(C)C[NH+]1CCC(NC(=O)NC[C@@H](O)c2ccccc2Br)CC1 ZINC000836232109 660896335 /nfs/dbraw/zinc/89/63/35/660896335.db2.gz NGNNXTRHKYUAOW-QGZVFWFLSA-N 1 0 398.345 2.902 20 0 GFADRO O=C(NC/C=C/c1ccc(Br)cc1)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000836282115 660898037 /nfs/dbraw/zinc/89/80/37/660898037.db2.gz KIJRAEWSNREMRW-GPOOKRAHSA-N 1 0 394.313 2.625 20 0 GFADRO CC[NH+]1CCN(CC(C)(C)NC(=O)Nc2cnc(Br)cc2C)CC1 ZINC000836453059 660906668 /nfs/dbraw/zinc/90/66/68/660906668.db2.gz QEYQECSTDPNVLO-UHFFFAOYSA-N 1 0 398.349 2.690 20 0 GFADRO CCCC[N@H+](C)C[C@H](C)NC(=O)NC[C@@H](O)c1ccccc1Br ZINC000836461410 660907732 /nfs/dbraw/zinc/90/77/32/660907732.db2.gz DKPDWXLHZSQJGH-XJKSGUPXSA-N 1 0 386.334 2.902 20 0 GFADRO C[C@]1(CCNC(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)CC1(Cl)Cl ZINC000836619484 660921680 /nfs/dbraw/zinc/92/16/80/660921680.db2.gz KVCUTYWGTZITJK-HOCLYGCPSA-N 1 0 378.344 2.903 20 0 GFADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)Nc1ccc(Br)c(C2CC2)n1 ZINC000836686150 660929752 /nfs/dbraw/zinc/92/97/52/660929752.db2.gz XBVWHWZSUMLDDR-CHWSQXEVSA-N 1 0 395.301 2.706 20 0 GFADRO C[NH+]1CCN(c2ccc(NC(=O)c3ccc(F)cc3Br)cn2)CC1 ZINC000012613761 654501287 /nfs/dbraw/zinc/50/12/87/654501287.db2.gz QKDHKEBZHCUWLH-UHFFFAOYSA-N 1 0 393.260 2.987 20 0 GFADRO CC[NH+]1CCN(CC(C)(C)NC(=O)/C=C/c2ccc(Br)o2)CC1 ZINC000837134057 660972269 /nfs/dbraw/zinc/97/22/69/660972269.db2.gz DFFFKEIYMQUXJQ-SOFGYWHQSA-N 1 0 384.318 2.588 20 0 GFADRO C[C@@H]([NH2+]C1CCN(S(C)(=O)=O)CC1)c1ccc(F)c(Br)c1 ZINC000037270403 654614634 /nfs/dbraw/zinc/61/46/34/654614634.db2.gz PBBYXOIQSPGEEW-SNVBAGLBSA-N 1 0 379.295 2.663 20 0 GFADRO CC[NH+](CC)CCCNS(=O)(=O)c1cc(Br)cnc1Cl ZINC000041066251 654622096 /nfs/dbraw/zinc/62/20/96/654622096.db2.gz DUMFHOLEOMXDJQ-UHFFFAOYSA-N 1 0 384.727 2.508 20 0 GFADRO C[NH+](C)CCNC(=O)c1ccc(NC(=O)c2cnc(Cl)c(Cl)c2)cc1 ZINC000041863343 654632814 /nfs/dbraw/zinc/63/28/14/654632814.db2.gz FQZUBQCBSMKROL-UHFFFAOYSA-N 1 0 381.263 2.932 20 0 GFADRO C#CCOc1ccc(Br)cc1C[NH2+]CCNC(=O)c1ccco1 ZINC000043628551 654650504 /nfs/dbraw/zinc/65/05/04/654650504.db2.gz GRKGZHCPWRCLHL-UHFFFAOYSA-N 1 0 377.238 2.574 20 0 GFADRO C[C@@H]1C[NH+](CCCNC(=O)N(C)Cc2ccc(Br)o2)C[C@@H](C)O1 ZINC000045455028 654668524 /nfs/dbraw/zinc/66/85/24/654668524.db2.gz ZUINJBNHMYQUTM-CHWSQXEVSA-N 1 0 388.306 2.683 20 0 GFADRO CC(C)c1nn(-c2ccccc2)c(Cl)c1C[NH2+]CCCNS(C)(=O)=O ZINC000045822160 654671381 /nfs/dbraw/zinc/67/13/81/654671381.db2.gz DIZVYTZRSIJRNZ-UHFFFAOYSA-N 1 0 384.933 2.678 20 0 GFADRO Cc1ccc(S(=O)(=O)NCC[N@H+]2CCC[C@H](C)C2)c(Br)c1 ZINC000046035172 654673957 /nfs/dbraw/zinc/67/39/57/654673957.db2.gz BXOQKOHCFMMBLZ-ZDUSSCGKSA-N 1 0 375.332 2.768 20 0 GFADRO CC[NH+]1CCN([C@H](C)CNC(=O)C(C)(C)c2ccc(Br)cc2)CC1 ZINC000046948327 654688226 /nfs/dbraw/zinc/68/82/26/654688226.db2.gz ISWNLGCTDKEORW-OAHLLOKOSA-N 1 0 396.373 2.869 20 0 GFADRO C[NH+](C)CC(C)(C)CNC(=O)c1ccc(-n2cc(Br)cn2)cc1 ZINC000047427656 654694522 /nfs/dbraw/zinc/69/45/22/654694522.db2.gz XZOGICSRDPNGBJ-UHFFFAOYSA-N 1 0 379.302 2.952 20 0 GFADRO CC(C)n1cnnc1SCC(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000047442166 654695002 /nfs/dbraw/zinc/69/50/02/654695002.db2.gz NZZDICSAKNQUHW-CQSZACIVSA-N 1 0 379.555 2.966 20 0 GFADRO O=C(NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)NC[C@H](O)C(F)(F)F ZINC000048740689 654712566 /nfs/dbraw/zinc/71/25/66/654712566.db2.gz CGCGOCQDHLVSQO-KBPBESRZSA-N 1 0 379.810 2.699 20 0 GFADRO CC(C)C[N@H+](CCCOc1cccc(I)c1)CC(N)=O ZINC000049000428 654714107 /nfs/dbraw/zinc/71/41/07/654714107.db2.gz FWRQCUSOVUEIAD-UHFFFAOYSA-N 1 0 390.265 2.503 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000121963269 654725940 /nfs/dbraw/zinc/72/59/40/654725940.db2.gz NMBJXELDZKZXOP-CJNGLKHVSA-N 1 0 394.313 2.639 20 0 GFADRO C[N@@H+]1CCC[C@@H]2CN(S(=O)(=O)c3ccccc3OC(F)(F)F)CC[C@@H]21 ZINC000122340837 654734696 /nfs/dbraw/zinc/73/46/96/654734696.db2.gz QRHGKIOLSITPNS-OLZOCXBDSA-N 1 0 378.416 2.690 20 0 GFADRO C[C@H](Oc1cccc(Cl)c1Cl)C(=O)NCCCC[NH+]1CCOCC1 ZINC000053450374 654746776 /nfs/dbraw/zinc/74/67/76/654746776.db2.gz SBIAPZZCFHUMRE-ZDUSSCGKSA-N 1 0 375.296 2.989 20 0 GFADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)Cc2ccc(F)c(Br)c2)C1 ZINC000054129173 654756870 /nfs/dbraw/zinc/75/68/70/654756870.db2.gz OMVUGEULMXQCGW-AWEZNQCLSA-N 1 0 387.293 2.604 20 0 GFADRO CC(C)OCC[NH+]1CCC(NC(=O)COc2ccccc2Br)CC1 ZINC000123492417 654757548 /nfs/dbraw/zinc/75/75/48/654757548.db2.gz BFNXQRVULLTOPV-UHFFFAOYSA-N 1 0 399.329 2.834 20 0 GFADRO CN(Cc1ccc(Cl)s1)C(=O)C[N@H+](C)CC(C)(C)CN1CCOCC1 ZINC000123933222 654766348 /nfs/dbraw/zinc/76/63/48/654766348.db2.gz XJLRVJDPUIUQKD-UHFFFAOYSA-N 1 0 387.977 2.650 20 0 GFADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)c1ncccc1O ZINC000124003794 654768402 /nfs/dbraw/zinc/76/84/02/654768402.db2.gz QVXMNBFOLAREFF-UHFFFAOYSA-N 1 0 378.270 2.754 20 0 GFADRO CN(C(=O)[C@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1)C1CC[NH+](C)CC1 ZINC000055158975 654769857 /nfs/dbraw/zinc/76/98/57/654769857.db2.gz WECXUCHZWNVAIZ-LBPRGKRZSA-N 1 0 384.307 2.899 20 0 GFADRO CC(C)C[NH+]1CCN(C(=O)C[C@@H]2Sc3ccc(Cl)cc3NC2=O)CC1 ZINC000055168361 654770092 /nfs/dbraw/zinc/77/00/92/654770092.db2.gz LYACSGXMISFZOD-INIZCTEOSA-N 1 0 381.929 2.943 20 0 GFADRO C[C@]1(O)CCC[N@H+](C[C@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000124067624 654770446 /nfs/dbraw/zinc/77/04/46/654770446.db2.gz LEYIWOZWKRPGJU-WFASDCNBSA-N 1 0 378.694 2.689 20 0 GFADRO CCS(=O)(=O)N(C)C1CCN(Cc2ccccc2OC(F)(F)F)CC1 ZINC000124244593 654772286 /nfs/dbraw/zinc/77/22/86/654772286.db2.gz ITDAJIIDPOUTRV-UHFFFAOYSA-N 1 0 380.432 2.831 20 0 GFADRO C[N@H+](CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl)C1CCCCCCC1 ZINC000124888309 654783256 /nfs/dbraw/zinc/78/32/56/654783256.db2.gz IZEXJHCCDIGRHI-UHFFFAOYSA-N 1 0 387.933 2.971 20 0 GFADRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1c(Br)nc2n1CCCC2 ZINC000837631285 661008671 /nfs/dbraw/zinc/00/86/71/661008671.db2.gz VWVXFFOBSAWLPA-QWHCGFSZSA-N 1 0 381.318 2.681 20 0 GFADRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)NNC(=O)c1ccccc1Br ZINC000056785675 654797860 /nfs/dbraw/zinc/79/78/60/654797860.db2.gz CHEIVYTWNVESFN-QWHCGFSZSA-N 1 0 397.317 2.514 20 0 GFADRO CN1CC[NH+](CC2CCN(C(=O)c3ccc(Br)cc3F)CC2)CC1 ZINC000057065978 654799237 /nfs/dbraw/zinc/79/92/37/654799237.db2.gz QHDRZIBTZZFIHY-UHFFFAOYSA-N 1 0 398.320 2.688 20 0 GFADRO COc1cc(S(=O)(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)ccc1Br ZINC000126011944 654806483 /nfs/dbraw/zinc/80/64/83/654806483.db2.gz VJJDUJILQITAGQ-NSHDSACASA-N 1 0 393.347 2.712 20 0 GFADRO FC(F)CN1CCC([NH2+]Cc2cc3c(c(Br)c2)OCO3)CC1 ZINC000057978845 654813258 /nfs/dbraw/zinc/81/32/58/654813258.db2.gz OXDMDLDGULZXRQ-UHFFFAOYSA-N 1 0 377.229 2.997 20 0 GFADRO C[C@H]1CCCC[N@@H+]1CCCNC(=O)CNC(=O)c1cccc(Br)c1 ZINC000057997054 654813673 /nfs/dbraw/zinc/81/36/73/654813673.db2.gz DCSANRBRCQMMGN-AWEZNQCLSA-N 1 0 396.329 2.560 20 0 GFADRO O=S(=O)(NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1cccc(Cl)c1F ZINC000127534032 654831582 /nfs/dbraw/zinc/83/15/82/654831582.db2.gz YGBUXUTUJUXIQA-GJZGRUSLSA-N 1 0 390.908 2.525 20 0 GFADRO Cc1ccc(Br)c(S(=O)(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)c1 ZINC000128121707 654841095 /nfs/dbraw/zinc/84/10/95/654841095.db2.gz UFPUNJQQQWTDHN-QWHCGFSZSA-N 1 0 375.332 2.909 20 0 GFADRO O=C(CCSc1ccc(Br)cc1)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000061649018 654841437 /nfs/dbraw/zinc/84/14/37/654841437.db2.gz MJROJCHWQPIHQS-LSDHHAIUSA-N 1 0 399.354 2.911 20 0 GFADRO CC[NH+](CC)CCCNC(=O)C(=O)Nc1cccc(C2SCCS2)c1 ZINC000061760471 654842271 /nfs/dbraw/zinc/84/22/71/654842271.db2.gz XVCSEZXFTPVSCO-UHFFFAOYSA-N 1 0 381.567 2.952 20 0 GFADRO O=C(C[C@@H]1CC[NH2+]C1)NCC1(c2cccc(Br)c2)CCOCC1 ZINC000128447968 654847152 /nfs/dbraw/zinc/84/71/52/654847152.db2.gz VOJSKQKABBBUBY-AWEZNQCLSA-N 1 0 381.314 2.613 20 0 GFADRO Cc1nc(NC(=O)N(C)CC[N@H+](C)C2CCN(C)CC2)ccc1Br ZINC000128458766 654847488 /nfs/dbraw/zinc/84/74/88/654847488.db2.gz HZHCXZDKFQUUQV-UHFFFAOYSA-N 1 0 398.349 2.642 20 0 GFADRO O=S(=O)(NCC1CC[NH+](Cc2ccccc2)CC1)c1ccc(Cl)nc1 ZINC000063182182 654850037 /nfs/dbraw/zinc/85/00/37/654850037.db2.gz UOOVVXOYFFHTII-UHFFFAOYSA-N 1 0 379.913 2.926 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CCCCN1S(=O)(=O)c1ccc(Br)cc1Cl ZINC000063193885 654850294 /nfs/dbraw/zinc/85/02/94/654850294.db2.gz PVAGFSHEDWGZMN-BXKDBHETSA-N 1 0 381.723 2.993 20 0 GFADRO O=S(=O)(c1ccc(Br)s1)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000063199578 654850572 /nfs/dbraw/zinc/85/05/72/654850572.db2.gz HNIUBATZZBRGRF-NSHDSACASA-N 1 0 379.345 2.663 20 0 GFADRO COc1cc(Br)c(CN2CC[C@H](C[NH+]3CCOCC3)C2)cc1OC ZINC000129206506 654860306 /nfs/dbraw/zinc/86/03/06/654860306.db2.gz JKFKJQICWTUHFB-CQSZACIVSA-N 1 0 399.329 2.620 20 0 GFADRO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000129488169 654864066 /nfs/dbraw/zinc/86/40/66/654864066.db2.gz MONXHDKRYAUZGG-FUNVUKJBSA-N 1 0 391.265 2.877 20 0 GFADRO O=C(c1ccc(F)c(Br)c1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000266278753 654868524 /nfs/dbraw/zinc/86/85/24/654868524.db2.gz DNKZFSNUBUMZFI-UHFFFAOYSA-N 1 0 385.277 2.773 20 0 GFADRO O=C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(I)c(Cl)c1 ZINC000129646689 654870046 /nfs/dbraw/zinc/87/00/46/654870046.db2.gz VVNFLWPIHZFHRP-ZACCUICWSA-N 1 0 390.652 2.957 20 0 GFADRO CC[NH+](CC)[C@H]1CCN(C(=O)C[C@](O)(c2nc(C)cs2)C(F)(F)F)C1 ZINC000266295968 654869928 /nfs/dbraw/zinc/86/99/28/654869928.db2.gz HKAVJWGQWYCAAG-WFASDCNBSA-N 1 0 379.448 2.534 20 0 GFADRO CC[NH+]1CCN([C@H]2CCN(C(=O)Nc3ccc(F)c(Br)c3)C2)CC1 ZINC000266467243 654880462 /nfs/dbraw/zinc/88/04/62/654880462.db2.gz QWRZOERIYUGFJX-AWEZNQCLSA-N 1 0 399.308 2.832 20 0 GFADRO CC[N@H+](CCNC(=O)N(C)C[C@@H](O)c1ccccc1Br)C1CC1 ZINC000838175874 661031984 /nfs/dbraw/zinc/03/19/84/661031984.db2.gz WESLUHXZQYTMCF-MRXNPFEDSA-N 1 0 384.318 2.608 20 0 GFADRO CCCN(CCC)S(=O)(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1 ZINC000065972460 654891473 /nfs/dbraw/zinc/89/14/73/654891473.db2.gz OEXPIIRQHVWJBW-UHFFFAOYSA-N 1 0 377.501 2.695 20 0 GFADRO CC[C@H](NC(=O)N[C@@H]1CC[N@H+](CCOC)C1)c1nc(C(F)(F)F)cs1 ZINC000266805174 654894751 /nfs/dbraw/zinc/89/47/51/654894751.db2.gz NRBSCXWNJOJUFL-MNOVXSKESA-N 1 0 380.436 2.633 20 0 GFADRO CC(=O)Nc1ccc(S(=O)(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)cc1Cl ZINC000267038371 654906448 /nfs/dbraw/zinc/90/64/48/654906448.db2.gz BKUJLAMKRXZTFS-MRXNPFEDSA-N 1 0 389.949 2.943 20 0 GFADRO CC(C)CSCCC[NH+]1CCN(Cc2cc(=O)n3ccsc3n2)CC1 ZINC000131658217 654912700 /nfs/dbraw/zinc/91/27/00/654912700.db2.gz WIFNWCLVRAGTOG-UHFFFAOYSA-N 1 0 380.583 2.653 20 0 GFADRO O=S(=O)(NC1CC[NH+](C2CCCC2)CC1)c1cncc(Br)c1 ZINC000267167702 654914795 /nfs/dbraw/zinc/91/47/95/654914795.db2.gz HKRYMVCKDSYSFB-UHFFFAOYSA-N 1 0 388.331 2.529 20 0 GFADRO NC(=O)c1csc(C[NH2+]C[C@H](c2ccc(Cl)cc2)N2CCOCC2)c1 ZINC000131882790 654920424 /nfs/dbraw/zinc/92/04/24/654920424.db2.gz XZSCZVVIPHTIQJ-QGZVFWFLSA-N 1 0 379.913 2.664 20 0 GFADRO NC(=O)COc1ccc(C[NH2+][C@H]2CCOc3ccc(Br)cc32)cc1 ZINC000067223641 654933778 /nfs/dbraw/zinc/93/37/78/654933778.db2.gz AUXDGWRRNLIBCC-INIZCTEOSA-N 1 0 391.265 2.927 20 0 GFADRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)c2occc2Br)CC1 ZINC000267562260 654934866 /nfs/dbraw/zinc/93/48/66/654934866.db2.gz GUIVDLZFIPZNOC-OKILXGFUSA-N 1 0 384.318 2.673 20 0 GFADRO OC[C@@]1([NH2+]C[C@@H](O)COc2ccc(Br)cc2)CCc2ccccc21 ZINC000132501919 654939407 /nfs/dbraw/zinc/93/94/07/654939407.db2.gz CXPXNRDGYVVKCF-APWZRJJASA-N 1 0 392.293 2.612 20 0 GFADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2cccnc2SC(F)(F)F)C1 ZINC000067539869 654940720 /nfs/dbraw/zinc/94/07/20/654940720.db2.gz QBRHRDZWZLZCHN-LBPRGKRZSA-N 1 0 377.432 2.780 20 0 GFADRO Cc1ccc(NC(=O)C(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)c(Br)c1 ZINC000067764211 654945011 /nfs/dbraw/zinc/94/50/11/654945011.db2.gz PYEJHNOOAAHRMC-CQSZACIVSA-N 1 0 396.329 2.933 20 0 GFADRO C[NH+](C)C1(CNC(=O)C(=O)Nc2c(F)cccc2Br)CCCC1 ZINC000267856946 654949213 /nfs/dbraw/zinc/94/92/13/654949213.db2.gz GFOLHJZFFJNPRE-UHFFFAOYSA-N 1 0 386.265 2.517 20 0 GFADRO C[C@H](Cn1cc(Br)cn1)[NH2+][C@@H]1CC(=O)N(c2c(F)cccc2F)C1 ZINC000133341497 654961104 /nfs/dbraw/zinc/96/11/04/654961104.db2.gz ZXXCUHRLEQKAES-ZYHUDNBSSA-N 1 0 399.239 2.707 20 0 GFADRO COc1cc(C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)cc(OC)c1Br ZINC000268175278 654961824 /nfs/dbraw/zinc/96/18/24/654961824.db2.gz FOPGGIJHQNMETP-GXFFZTMASA-N 1 0 383.286 2.679 20 0 GFADRO Cc1cc(C(=O)N2CCN(CC[NH+]3CCCC3)CC2)c(Br)s1 ZINC000268342313 654967709 /nfs/dbraw/zinc/96/77/09/654967709.db2.gz BCHFBHGORXUZEY-UHFFFAOYSA-N 1 0 386.359 2.673 20 0 GFADRO Cc1csc([C@@](O)(CC(=O)N2CCC[N@@H+](C(C)C)CC2)C(F)(F)F)n1 ZINC000068775788 654967736 /nfs/dbraw/zinc/96/77/36/654967736.db2.gz YQGYZBAWCPBMFZ-HNNXBMFYSA-N 1 0 379.448 2.534 20 0 GFADRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2c(F)cccc2I)C1 ZINC000268449492 654972103 /nfs/dbraw/zinc/97/21/03/654972103.db2.gz VMFKMDNKEVLSFK-LLVKDONJSA-N 1 0 390.240 2.844 20 0 GFADRO CCC[N@H+](CC)CCNC(=O)N(C)C[C@@H](O)c1ccccc1Br ZINC000838502733 661047859 /nfs/dbraw/zinc/04/78/59/661047859.db2.gz PNWXJDZQVQEISK-MRXNPFEDSA-N 1 0 386.334 2.856 20 0 GFADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)C(C)(C)c1cccc(Br)c1 ZINC000069577123 654983463 /nfs/dbraw/zinc/98/34/63/654983463.db2.gz RXAUOCIOZUYKBA-INIZCTEOSA-N 1 0 383.330 2.954 20 0 GFADRO O=C(CCc1ccccc1Br)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000069742285 654986031 /nfs/dbraw/zinc/98/60/31/654986031.db2.gz UORXWUGGLIISEU-MRXNPFEDSA-N 1 0 395.341 2.953 20 0 GFADRO C[C@H]([NH2+][C@H]1CCOc2c(Br)cccc21)C(=O)NCC(F)(F)F ZINC000268873116 654989822 /nfs/dbraw/zinc/98/98/22/654989822.db2.gz YIMLDWKNEROZJM-KWQFWETISA-N 1 0 381.192 2.929 20 0 GFADRO C[C@@H]([NH2+][C@@H]1CCOc2c(Br)cccc21)C(=O)NCC(F)(F)F ZINC000268873118 654989864 /nfs/dbraw/zinc/98/98/64/654989864.db2.gz YIMLDWKNEROZJM-LDYMZIIASA-N 1 0 381.192 2.929 20 0 GFADRO CCOC(=O)C1(NC(=O)COc2cc(Cl)ccc2Cl)CC[NH+](C)CC1 ZINC000134319624 654990437 /nfs/dbraw/zinc/99/04/37/654990437.db2.gz VYGZLKRJLYPBHK-UHFFFAOYSA-N 1 0 389.279 2.516 20 0 GFADRO O=C(NCc1cccc(Br)c1)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000268960850 654992912 /nfs/dbraw/zinc/99/29/12/654992912.db2.gz IOJUXLXZQBRKMA-IAGOWNOFSA-N 1 0 396.329 2.626 20 0 GFADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000070864194 654996120 /nfs/dbraw/zinc/99/61/20/654996120.db2.gz HAMISTATVFSKDF-ZACQAIPSSA-N 1 0 381.314 2.907 20 0 GFADRO C[C@@H](CCS(C)(=O)=O)[NH2+]Cc1nc(-c2cccc(Br)c2)c[nH]1 ZINC000134588468 654997178 /nfs/dbraw/zinc/99/71/78/654997178.db2.gz QDMUNMAXURPYIM-NSHDSACASA-N 1 0 386.315 2.752 20 0 GFADRO C[N@H+](CCNS(=O)(=O)c1ccc(F)cc1Br)C1CCCC1 ZINC000071379927 655000044 /nfs/dbraw/zinc/00/00/44/655000044.db2.gz FUXOIMXEMDVSLC-UHFFFAOYSA-N 1 0 379.295 2.741 20 0 GFADRO C[C@H]1CN(C(=O)c2ccc(I)cc2Cl)CC[C@H]1[NH3+] ZINC000269178241 655000718 /nfs/dbraw/zinc/00/07/18/655000718.db2.gz CIFXMDLFFWYZGD-QPUJVOFHSA-N 1 0 378.641 2.754 20 0 GFADRO COC(=O)CCc1csc(NC(=O)NC[C@@H](c2ccsc2)[NH+](C)C)n1 ZINC000269173780 655000731 /nfs/dbraw/zinc/00/07/31/655000731.db2.gz YAMVNJDJCWRNFX-ZDUSSCGKSA-N 1 0 382.511 2.735 20 0 GFADRO C[C@H]1CN(C(=O)C2(c3ccc(Br)cc3)CCOCC2)CC[C@@H]1[NH3+] ZINC000269259268 655003389 /nfs/dbraw/zinc/00/33/89/655003389.db2.gz IUTPUGWSQVAWJH-BBRMVZONSA-N 1 0 381.314 2.693 20 0 GFADRO CN(C(=O)NCC[C@@]1(C)CC1(Cl)Cl)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000838680557 661053796 /nfs/dbraw/zinc/05/37/96/661053796.db2.gz JMCQBSGGUPKNPD-RDJZCZTQSA-N 1 0 391.387 2.770 20 0 GFADRO C[C@@H](C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1)[N@H+](C)CCC1CC1 ZINC000135254729 655012603 /nfs/dbraw/zinc/01/26/03/655012603.db2.gz QVSDDHWZVYYJHR-LBPRGKRZSA-N 1 0 387.933 2.649 20 0 GFADRO O=S(=O)(c1c[nH]c2nccc(Cl)c12)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000093912499 655023334 /nfs/dbraw/zinc/02/33/34/655023334.db2.gz KGKCRSXPWZRHBO-CYBMUJFWSA-N 1 0 382.917 2.855 20 0 GFADRO OC[C@H](C[C@@H](O)c1ccccc1)[NH2+]Cc1cc2c(cc1Br)OCO2 ZINC000269911310 655027103 /nfs/dbraw/zinc/02/71/03/655027103.db2.gz IKFFQKBKONLWLI-GOEBONIOSA-N 1 0 394.265 2.752 20 0 GFADRO C[C@@H](Oc1ccc(Cl)c(Cl)c1)C(=O)NCCC[NH+]1CCC(O)CC1 ZINC000136131761 655028067 /nfs/dbraw/zinc/02/80/67/655028067.db2.gz ALTFVKRLCIVWSG-GFCCVEGCSA-N 1 0 375.296 2.724 20 0 GFADRO C[NH+]1CCN(c2ccc(NC(=O)c3cc(Cl)c(N)c(Cl)c3)nc2)CC1 ZINC000136380027 655030910 /nfs/dbraw/zinc/03/09/10/655030910.db2.gz IVUNHHFVTDWRDY-UHFFFAOYSA-N 1 0 380.279 2.975 20 0 GFADRO C[C@@H](CNC(=O)c1ccc(Cl)c(Br)c1)C[NH+]1CCN(C)CC1 ZINC000270004398 655030960 /nfs/dbraw/zinc/03/09/60/655030960.db2.gz ZVCHYRULYMYHRS-LBPRGKRZSA-N 1 0 388.737 2.716 20 0 GFADRO COC(=O)C1CC[NH+](CCCNC(=O)c2ccc(C)cc2Br)CC1 ZINC000270027253 655031777 /nfs/dbraw/zinc/03/17/77/655031777.db2.gz GJSOUMNIEHTNQL-UHFFFAOYSA-N 1 0 397.313 2.762 20 0 GFADRO C[C@H]1C[C@@H](NS(=O)(=O)c2ccc(Br)cc2Cl)CC[N@@H+]1C ZINC000097602710 655036992 /nfs/dbraw/zinc/03/69/92/655036992.db2.gz SABWAKPPJVVHGJ-ONGXEEELSA-N 1 0 381.723 2.864 20 0 GFADRO C[NH+](C)C1CCN(C(=O)[C@H]2CC(=O)N(c3cc(Cl)cc(Cl)c3)C2)CC1 ZINC000098035806 655038877 /nfs/dbraw/zinc/03/88/77/655038877.db2.gz GCPGLZVODMXNAA-LBPRGKRZSA-N 1 0 384.307 2.899 20 0 GFADRO CCOc1c(Br)cc(Cl)cc1NC(=O)COC1(C)C[NH2+]C1 ZINC000098060659 655039204 /nfs/dbraw/zinc/03/92/04/655039204.db2.gz XQYIAISVRVAJHZ-UHFFFAOYSA-N 1 0 377.666 2.818 20 0 GFADRO C[C@H](Cn1ccnc1)NC(=O)N1CCO[C@@H](c2ccccc2Br)C1 ZINC000101761353 655047192 /nfs/dbraw/zinc/04/71/92/655047192.db2.gz LEJPYKZTRNWKCR-CZUORRHYSA-N 1 0 393.285 2.817 20 0 GFADRO NC(=O)C1(C[NH2+][C@@H]2CCc3c2cc(Br)cc3Cl)CCOCC1 ZINC000270510452 655047418 /nfs/dbraw/zinc/04/74/18/655047418.db2.gz WPOKFWZGMUJHGH-CQSZACIVSA-N 1 0 387.705 2.962 20 0 GFADRO O=C(NCCCOC1CC[NH+](Cc2ccccc2)CC1)C1SCCS1 ZINC000270533253 655048043 /nfs/dbraw/zinc/04/80/43/655048043.db2.gz VAXAGCFWLFFPKZ-UHFFFAOYSA-N 1 0 380.579 2.980 20 0 GFADRO C[C@H](C(=O)NC1CC1)[NH+]1CCC(C(=O)Nc2ccccc2Br)CC1 ZINC000101916604 655048423 /nfs/dbraw/zinc/04/84/23/655048423.db2.gz TXGQEGQAZNGJKI-GFCCVEGCSA-N 1 0 394.313 2.767 20 0 GFADRO Cc1nccn1CC[N@@H+]1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000270552699 655048869 /nfs/dbraw/zinc/04/88/69/655048869.db2.gz BSSNDBMCLRLWBV-CQSZACIVSA-N 1 0 392.301 2.700 20 0 GFADRO C[NH+]1CCC(NC(=O)C(=O)Nc2cccc(Cl)c2SC(F)F)CC1 ZINC000102079913 655050531 /nfs/dbraw/zinc/05/05/31/655050531.db2.gz VBKLJRQXPJWOBY-UHFFFAOYSA-N 1 0 377.844 2.804 20 0 GFADRO C[C@@H](C(=O)N1CCN(CC[NH+]2CCCC2)CC1)c1ccc(Br)cc1 ZINC000270807666 655056461 /nfs/dbraw/zinc/05/64/61/655056461.db2.gz CGQBIXLBRNGGQE-MRXNPFEDSA-N 1 0 394.357 2.793 20 0 GFADRO C[C@H](C[NH+]1CCCCC1)NC(=O)CSc1nnc(-c2cccs2)n1C ZINC000102635651 655056731 /nfs/dbraw/zinc/05/67/31/655056731.db2.gz MNOKKFKOAWVONO-CYBMUJFWSA-N 1 0 379.555 2.626 20 0 GFADRO CCc1ccc(S(=O)(=O)N2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)s1 ZINC000102660995 655057471 /nfs/dbraw/zinc/05/74/71/655057471.db2.gz UMEUXQFYTGAAMA-GJZGRUSLSA-N 1 0 386.583 2.820 20 0 GFADRO C[C@@H](Sc1ccc(Cl)cc1)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000102788825 655061025 /nfs/dbraw/zinc/06/10/25/655061025.db2.gz ACQNGGUHJQZXCH-KGLIPLIRSA-N 1 0 383.945 2.524 20 0 GFADRO C[C@@](O)(CNC(=O)NCC1([NH+]2CCSCC2)CCCC1)c1ccsc1 ZINC000153717890 655069939 /nfs/dbraw/zinc/06/99/39/655069939.db2.gz HGYCYNJPCOALGY-QGZVFWFLSA-N 1 0 383.583 2.616 20 0 GFADRO C[NH+]=C(NCc1ccco1)NCc1cc(Br)c(OC)c(OC)c1 ZINC000103338527 655071562 /nfs/dbraw/zinc/07/15/62/655071562.db2.gz IYRKGRKJEVDXTK-UHFFFAOYSA-N 1 0 382.258 2.925 20 0 GFADRO C[C@@H]1CCC[C@H](C)[N@H+]1CC(=O)NCC(=O)Nc1ccccc1Br ZINC000104077699 655078255 /nfs/dbraw/zinc/07/82/55/655078255.db2.gz LCWUPFPFWDHGBI-BETUJISGSA-N 1 0 382.302 2.767 20 0 GFADRO COCCN1CC[C@H]([NH2+]C2CCN(Cc3ccccc3Br)CC2)C1 ZINC000271413403 655080435 /nfs/dbraw/zinc/08/04/35/655080435.db2.gz KQRJVQKHNHZUBV-SFHVURJKSA-N 1 0 396.373 2.724 20 0 GFADRO O=C1CCCN1C1CC[NH+](C[C@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000104730792 655084600 /nfs/dbraw/zinc/08/46/00/655084600.db2.gz PBIVOKGLWZNVJL-HNNXBMFYSA-N 1 0 387.307 2.820 20 0 GFADRO COCc1nc2n(n1)C[C@@H]([NH2+][C@H]1CCc3cc(Br)ccc31)CC2 ZINC000271542906 655084782 /nfs/dbraw/zinc/08/47/82/655084782.db2.gz UODFXNBMJZIITB-ZFWWWQNUSA-N 1 0 377.286 2.779 20 0 GFADRO Cc1sc(Br)cc1S(=O)(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000155459773 655084981 /nfs/dbraw/zinc/08/49/81/655084981.db2.gz PVWALWSQPQYQJQ-GHMZBOCLSA-N 1 0 381.361 2.970 20 0 GFADRO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]C[C@@H](O)c2c(F)cccc2Cl)cc1 ZINC000271567903 655086041 /nfs/dbraw/zinc/08/60/41/655086041.db2.gz YSCOALWUAFOYKP-BDJLRTHQSA-N 1 0 386.876 2.771 20 0 GFADRO NC(=O)[C@@H]([NH2+]CCc1ccc(-n2cccn2)cc1)c1ccc(Br)cc1 ZINC000105400704 655092377 /nfs/dbraw/zinc/09/23/77/655092377.db2.gz FGORNHRRDNYABF-SFHVURJKSA-N 1 0 399.292 2.994 20 0 GFADRO CCc1nc(C[NH2+]CC2CCN(S(=O)(=O)c3ccccc3)CC2)cs1 ZINC000105472750 655093392 /nfs/dbraw/zinc/09/33/92/655093392.db2.gz YYKAUFOKWKSYRI-UHFFFAOYSA-N 1 0 379.551 2.896 20 0 GFADRO O=S1(=O)CCCN1CC[NH2+]Cc1ccc(-c2nc3ccccc3s2)o1 ZINC000105473526 655093635 /nfs/dbraw/zinc/09/36/35/655093635.db2.gz JLPXPGJVRUHEGW-UHFFFAOYSA-N 1 0 377.491 2.681 20 0 GFADRO C[C@H]([NH2+][C@H]1CCN(c2cccc(Cl)c2)C1)c1cccc(S(N)(=O)=O)c1 ZINC000271774118 655094246 /nfs/dbraw/zinc/09/42/46/655094246.db2.gz UTDIHFPWFUSIEK-BBRMVZONSA-N 1 0 379.913 2.917 20 0 GFADRO C[N@H+]1CC=C(CNC(=O)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)CC1 ZINC000271801860 655095204 /nfs/dbraw/zinc/09/52/04/655095204.db2.gz AVWBKDCCBSJBJQ-UHFFFAOYSA-N 1 0 375.778 2.675 20 0 GFADRO NC(=O)CC[C@@H]1CCC[N@H+](Cn2ccc(=O)c3cccc(Br)c32)C1 ZINC000105604637 655095796 /nfs/dbraw/zinc/09/57/96/655095796.db2.gz RVDSYLFETOQTOH-ZDUSSCGKSA-N 1 0 392.297 2.699 20 0 GFADRO O=C(NC[C@@H]1CCCC[N@H+]1CCO)Nc1ccc(SC(F)(F)F)nc1 ZINC000839174256 661074302 /nfs/dbraw/zinc/07/43/02/661074302.db2.gz NTAADGASRNNTOU-LBPRGKRZSA-N 1 0 378.420 2.662 20 0 GFADRO Cc1cc(Br)ccc1C[NH2+][C@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1 ZINC000271959647 655099506 /nfs/dbraw/zinc/09/95/06/655099506.db2.gz FPSKDYGATYPTJO-HOTGVXAUSA-N 1 0 388.327 2.583 20 0 GFADRO C[N@H+](CCNC(=O)C(=O)Nc1cc(Cl)c(N)c(Cl)c1)C1CCCCC1 ZINC000839487598 661086736 /nfs/dbraw/zinc/08/67/36/661086736.db2.gz ZPYVYALSUJQMFT-UHFFFAOYSA-N 1 0 387.311 2.895 20 0 GFADRO C[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C1 ZINC000106364119 655107049 /nfs/dbraw/zinc/10/70/49/655107049.db2.gz HXXZBXUGIQUDGY-KBPBESRZSA-N 1 0 384.307 2.899 20 0 GFADRO CC(C)(O)C[NH+]1CCN(C(=O)CCCc2ccc(Br)s2)CC1 ZINC000106402309 655108072 /nfs/dbraw/zinc/10/80/72/655108072.db2.gz CAQARWOFKNDDHM-UHFFFAOYSA-N 1 0 389.359 2.748 20 0 GFADRO CCN(CC)S(=O)(=O)c1cc(NC(=O)[C@H](C(C)C)[NH+](C)C)ccc1Cl ZINC000106408350 655108415 /nfs/dbraw/zinc/10/84/15/655108415.db2.gz ISIPNCMJTRFUQN-INIZCTEOSA-N 1 0 389.949 2.895 20 0 GFADRO C[N@@H+]1CC[C@H]2CCN(C(=O)c3ccc(I)c(F)c3)[C@@H]2C1 ZINC000272517973 655115259 /nfs/dbraw/zinc/11/52/59/655115259.db2.gz POKXWTYYIQNJRS-IINYFYTJSA-N 1 0 388.224 2.597 20 0 GFADRO CCC[C@@H]1CN(Cn2nc(N3CCCC3)sc2=S)CC[N@@H+]1CCOC ZINC000159760742 655116746 /nfs/dbraw/zinc/11/67/46/655116746.db2.gz MEPPKTYOGPAWQZ-OAHLLOKOSA-N 1 0 385.603 2.664 20 0 GFADRO CCCOc1c(Br)cc(C[NH2+]C[C@H](COC)OC)cc1OC ZINC000272671510 655118706 /nfs/dbraw/zinc/11/87/06/655118706.db2.gz KNKZTTSVXLKHHC-CYBMUJFWSA-N 1 0 376.291 2.998 20 0 GFADRO C[C@@H](NC(=O)c1cc(Br)c2c(c1)OCCO2)C1=CC[N@H+](C)CC1 ZINC000272741835 655120225 /nfs/dbraw/zinc/12/02/25/655120225.db2.gz MZJZFASHDBJRQH-LLVKDONJSA-N 1 0 381.270 2.601 20 0 GFADRO C[C@@H](NC(=O)c1ccc(F)c(I)c1)C1=CC[N@H+](C)CC1 ZINC000272741761 655120275 /nfs/dbraw/zinc/12/02/75/655120275.db2.gz MWNZBJBHLMJPJY-SNVBAGLBSA-N 1 0 388.224 2.811 20 0 GFADRO C[C@@H]([NH2+]CC(=O)Nc1nnc(C(C)(C)C)s1)c1ccc([S@](C)=O)cc1 ZINC000272953399 655126301 /nfs/dbraw/zinc/12/63/01/655126301.db2.gz MSZVFDGRYCPEON-NDHGSNPTSA-N 1 0 380.539 2.862 20 0 GFADRO OC[C@H]([NH2+]C[C@@H](O)COCc1ccccc1F)c1ccc(Br)cc1 ZINC000272966658 655126721 /nfs/dbraw/zinc/12/67/21/655126721.db2.gz BLJBFZHQQIBELS-AEFFLSMTSA-N 1 0 398.272 2.789 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1cc(C(=O)OC)c(Cl)cc1Cl ZINC000162196252 655130480 /nfs/dbraw/zinc/13/04/80/655130480.db2.gz IHYWHMZNZTWSMN-SNVBAGLBSA-N 1 0 395.308 2.543 20 0 GFADRO CCn1c(SCC(=O)NC[C@H]2CCC[N@H+](C)C2)nnc1-c1cccs1 ZINC000108332650 655131256 /nfs/dbraw/zinc/13/12/56/655131256.db2.gz ZODFQDDIIKSPOI-CYBMUJFWSA-N 1 0 379.555 2.577 20 0 GFADRO C[N@@H+]1CCC[C@H](CNC(=O)C2CCN(C(=O)c3ccc(Cl)s3)CC2)C1 ZINC000108342213 655131696 /nfs/dbraw/zinc/13/16/96/655131696.db2.gz LEBKOPSLXIDZCY-CYBMUJFWSA-N 1 0 383.945 2.712 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1sccc1S(=O)(=O)C(F)F ZINC000108462888 655133114 /nfs/dbraw/zinc/13/31/14/655133114.db2.gz LMZKTLMTUVWSRF-LLVKDONJSA-N 1 0 380.482 2.739 20 0 GFADRO O=C(NCCOc1ccc(Br)cc1)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000108566882 655134679 /nfs/dbraw/zinc/13/46/79/655134679.db2.gz FSRFHIAGSNXFMW-OAHLLOKOSA-N 1 0 382.302 2.611 20 0 GFADRO Cn1ncc(C(=O)NCC(C)(C)[N@@H+]2CCc3ccccc3C2)c1Br ZINC000273286400 655138119 /nfs/dbraw/zinc/13/81/19/655138119.db2.gz XKCZXWZBIOLNDT-UHFFFAOYSA-N 1 0 391.313 2.749 20 0 GFADRO CCC1(C[NH2+][C@@H](C)c2cccc(N(S(C)(=O)=O)S(C)(=O)=O)c2)CCC1 ZINC000165315040 655140026 /nfs/dbraw/zinc/14/00/26/655140026.db2.gz UNNWZTKLMGGMLP-AWEZNQCLSA-N 1 0 388.555 2.643 20 0 GFADRO Nc1c(Cl)cc(NC(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)cc1Cl ZINC000839467622 661085670 /nfs/dbraw/zinc/08/56/70/661085670.db2.gz WCHPOTIHTVDQGS-GFCCVEGCSA-N 1 0 385.295 2.601 20 0 GFADRO O=S(=O)(c1cc(Br)ccc1F)N1CCC([NH+]2CCCC2)CC1 ZINC000109816499 655152626 /nfs/dbraw/zinc/15/26/26/655152626.db2.gz SOTMWTDTRFISIN-UHFFFAOYSA-N 1 0 391.306 2.837 20 0 GFADRO CC(C)(C)NC(=O)NC(=O)C[NH2+]C(C)(C)Cc1ccc(Br)cc1 ZINC000109818788 655153021 /nfs/dbraw/zinc/15/30/21/655153021.db2.gz LTCOCUKQILHRFT-UHFFFAOYSA-N 1 0 384.318 2.984 20 0 GFADRO C[C@H](CNC(=O)Nc1ccncc1I)C[NH+]1CCCC1 ZINC000273671298 655153237 /nfs/dbraw/zinc/15/32/37/655153237.db2.gz DNOZFWFOOGOIPN-LLVKDONJSA-N 1 0 388.253 2.540 20 0 GFADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)Nc1ccc(SC(F)(F)F)nc1 ZINC000839180551 661075276 /nfs/dbraw/zinc/07/52/76/661075276.db2.gz UULHXWZSPRTKSI-RYUDHWBXSA-N 1 0 376.404 2.678 20 0 GFADRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)COc2ccc(C=O)cc2Br)C1 ZINC000172906836 655160526 /nfs/dbraw/zinc/16/05/26/655160526.db2.gz XDTBXWXRGLBXPZ-OAHLLOKOSA-N 1 0 397.313 2.877 20 0 GFADRO C[C@@H]1C[C@@H](N(C)S(=O)(=O)c2cc(Br)cnc2Cl)CC[N@@H+]1C ZINC000173272072 655166293 /nfs/dbraw/zinc/16/62/93/655166293.db2.gz JCWXIEUXRZYHFX-KOLCDFICSA-N 1 0 396.738 2.601 20 0 GFADRO CN1CC[NH+]([C@H]2CCCCN(C(=O)c3ccccc3Br)C2)CC1 ZINC000173279274 655167070 /nfs/dbraw/zinc/16/70/70/655167070.db2.gz AKVIJADATBYLBP-HNNXBMFYSA-N 1 0 380.330 2.691 20 0 GFADRO O[C@H](COc1ccc(Br)cc1)C[NH+]1CCC(n2ccnc2)CC1 ZINC000111243971 655167425 /nfs/dbraw/zinc/16/74/25/655167425.db2.gz JLIXKVPHWWUJPI-INIZCTEOSA-N 1 0 380.286 2.722 20 0 GFADRO C[NH+]1CCN(Cc2cccc(NC(=O)c3ccc(Br)nc3)c2)CC1 ZINC000173342553 655169130 /nfs/dbraw/zinc/16/91/30/655169130.db2.gz PWZHAKUYSDPRMU-UHFFFAOYSA-N 1 0 389.297 2.844 20 0 GFADRO CC[N@@H+]1CCCC[C@@H]1CNS(=O)(=O)c1ccc(F)cc1Br ZINC000111352752 655170556 /nfs/dbraw/zinc/17/05/56/655170556.db2.gz QJTQJCPUUJRQFO-GFCCVEGCSA-N 1 0 379.295 2.741 20 0 GFADRO Cn1cc(N2CC[C@@H]([NH2+][C@@H]3CCc4cc(Br)ccc43)C2=O)cn1 ZINC000111372953 655172022 /nfs/dbraw/zinc/17/20/22/655172022.db2.gz BMWYRZMIUPAWHK-HZPDHXFCSA-N 1 0 375.270 2.565 20 0 GFADRO CCn1cc(C[NH2+]CCCNC(=O)c2cc(OC)ccc2Br)cn1 ZINC000112099280 655182321 /nfs/dbraw/zinc/18/23/21/655182321.db2.gz AGFRZHRULZSEOL-UHFFFAOYSA-N 1 0 395.301 2.584 20 0 GFADRO CC[NH+](CC)C[C@H]1CCN(S(=O)(=O)c2ccccc2OC(F)(F)F)C1 ZINC000173917388 655185358 /nfs/dbraw/zinc/18/53/58/655185358.db2.gz ZOBHZJGTZBNAIY-CYBMUJFWSA-N 1 0 380.432 2.938 20 0 GFADRO CC[C@H](C)[C@H](O)C[NH2+]Cc1cc(I)c(OC)c(OC)c1 ZINC000112380760 655190378 /nfs/dbraw/zinc/19/03/78/655190378.db2.gz CKNIPIFPOWUWSK-GXFFZTMASA-N 1 0 393.265 2.805 20 0 GFADRO CCC[N@@H+]1CCCN(C(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)CC1 ZINC000112415416 655191093 /nfs/dbraw/zinc/19/10/93/655191093.db2.gz LSQVLPQQECWSAE-UHFFFAOYSA-N 1 0 375.441 2.633 20 0 GFADRO COC(=O)C1=C(C)O[C@H](C[N@H+](C)C[C@H](O)c2cccc(Br)c2)C1 ZINC000839637610 661097351 /nfs/dbraw/zinc/09/73/51/661097351.db2.gz BNLZCHFJVXNURW-HOCLYGCPSA-N 1 0 384.270 2.650 20 0 GFADRO Cc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(Br)c(C)c1)CC2 ZINC000112549144 655193343 /nfs/dbraw/zinc/19/33/43/655193343.db2.gz IMDWNJHFQTYISS-FZMZJTMJSA-N 1 0 392.301 2.589 20 0 GFADRO Cc1c(Br)scc1C(=O)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000274607871 655194237 /nfs/dbraw/zinc/19/42/37/655194237.db2.gz PAUWIZGHDUQTKV-UHFFFAOYSA-N 1 0 388.375 2.917 20 0 GFADRO CC[NH+]1CCN([C@@H](C)CNC(=O)c2cc3ccc(Br)cc3[nH]2)CC1 ZINC000112916825 655199345 /nfs/dbraw/zinc/19/93/45/655199345.db2.gz ASWAHTYBQTWCQA-ZDUSSCGKSA-N 1 0 393.329 2.686 20 0 GFADRO CC[N@H+](CC1CCN(C(=O)OC(C)(C)C)CC1)[C@H](C)CS(=O)(=O)CC ZINC000113000056 655200988 /nfs/dbraw/zinc/20/09/88/655200988.db2.gz RXFOREPVBJFWHZ-OAHLLOKOSA-N 1 0 376.563 2.779 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)c2ccc(-c3ccc(Br)cc3)s2)CCO1 ZINC000274776205 655201072 /nfs/dbraw/zinc/20/10/72/655201072.db2.gz KMLQEOBCQBBIHH-ZDUSSCGKSA-N 1 0 381.295 2.977 20 0 GFADRO O=S(=O)(c1ccc2ncsc2c1)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000274798084 655202401 /nfs/dbraw/zinc/20/24/01/655202401.db2.gz PPSFKGTXVQONDC-GUYCJALGSA-N 1 0 377.535 2.934 20 0 GFADRO COC(=O)[C@H]1CC12CC[NH+](C[C@@H](O)c1ccc(F)c(Br)c1)CC2 ZINC000274806285 655202701 /nfs/dbraw/zinc/20/27/01/655202701.db2.gz STQKIIIFJOSAOR-IUODEOHRSA-N 1 0 386.261 2.897 20 0 GFADRO C[NH+]1CCC(NC(=O)Nc2cc(F)c(F)cc2I)CC1 ZINC000174429514 655202813 /nfs/dbraw/zinc/20/28/13/655202813.db2.gz YWPMSIZMQLSJMW-UHFFFAOYSA-N 1 0 395.191 2.785 20 0 GFADRO CC[C@H]1CN(C(=O)c2[nH]c3ccccc3c2Br)CC[N@@H+]1C[C@@H](C)O ZINC000174593492 655204750 /nfs/dbraw/zinc/20/47/50/655204750.db2.gz WZRWKJVBCCUNFS-OLZOCXBDSA-N 1 0 394.313 2.848 20 0 GFADRO COc1cc(C[NH2+]CCNC(=O)c2cccc(Br)c2)cc(OC)c1 ZINC000113354460 655208260 /nfs/dbraw/zinc/20/82/60/655208260.db2.gz ILKOLNNWLBXHEB-UHFFFAOYSA-N 1 0 393.281 2.986 20 0 GFADRO Cn1ncc(C(=O)NC[C@H](C2CC2)[N@H+](C)Cc2ccccc2)c1Br ZINC000274963632 655209125 /nfs/dbraw/zinc/20/91/25/655209125.db2.gz VBUCFIOSWBQDBM-MRXNPFEDSA-N 1 0 391.313 2.823 20 0 GFADRO OCC[NH2+]C1CCN(c2nn3cc(-c4ccc(Cl)cc4)nc3s2)CC1 ZINC000275059305 655214357 /nfs/dbraw/zinc/21/43/57/655214357.db2.gz QOUHDQFLMRCQKW-UHFFFAOYSA-N 1 0 377.901 2.662 20 0 GFADRO C[NH+](C)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2Cl)C1 ZINC000113750801 655214671 /nfs/dbraw/zinc/21/46/71/655214671.db2.gz ZFVVZNPMVDTSFU-LLVKDONJSA-N 1 0 381.723 2.817 20 0 GFADRO COc1ccc(Br)cc1NC(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000175254136 655216568 /nfs/dbraw/zinc/21/65/68/655216568.db2.gz KTUVBPBOBWTXQI-UHFFFAOYSA-N 1 0 399.333 2.605 20 0 GFADRO C[NH+](C)C1(CNC(=O)N[C@H]2CCc3c2cccc3Br)CCOCC1 ZINC000114026210 655217492 /nfs/dbraw/zinc/21/74/92/655217492.db2.gz CKYOTUHGGNZNJB-INIZCTEOSA-N 1 0 396.329 2.846 20 0 GFADRO NC(=O)C[C@@H]1CCC[N@H+](Cc2nnc(-c3ccccc3Br)o2)C1 ZINC000175273071 655217546 /nfs/dbraw/zinc/21/75/46/655217546.db2.gz ALOVORZRQYBDGR-NSHDSACASA-N 1 0 379.258 2.587 20 0 GFADRO CCN1CC[NH+](C[C@H](C)CNC(=O)c2sc(C)cc2OC(F)F)CC1 ZINC000114380388 655223059 /nfs/dbraw/zinc/22/30/59/655223059.db2.gz PYOCONUGMWWIBF-GFCCVEGCSA-N 1 0 375.485 2.661 20 0 GFADRO O=C(/C=C/c1cc(Br)ccc1F)N1CC[NH+](C2CCOCC2)CC1 ZINC000175838911 655227864 /nfs/dbraw/zinc/22/78/64/655227864.db2.gz ZVRYZEICHYGILF-DAFODLJHSA-N 1 0 397.288 2.925 20 0 GFADRO O=C(N1CC[NH+](C2CCOCC2)CC1)C1(c2ccc(Br)cc2)CC1 ZINC000175839505 655228220 /nfs/dbraw/zinc/22/82/20/655228220.db2.gz KHKKUQSJFLIXAA-UHFFFAOYSA-N 1 0 393.325 2.804 20 0 GFADRO COCCC[N@H+](C)CCNC(=O)NCc1ccc(Br)cc1Cl ZINC000175969012 655229779 /nfs/dbraw/zinc/22/97/79/655229779.db2.gz VGSUVIMTLGRADW-UHFFFAOYSA-N 1 0 392.725 2.870 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000275493082 655238368 /nfs/dbraw/zinc/23/83/68/655238368.db2.gz BCTDCRYCDOUTDT-KFWWJZLASA-N 1 0 384.567 2.737 20 0 GFADRO C[NH+]1CCC([C@H]2CCN(C(=O)C(=O)c3ccc(Br)s3)C2)CC1 ZINC000839712244 661101765 /nfs/dbraw/zinc/10/17/65/661101765.db2.gz FVIZFVAAZDBFER-LBPRGKRZSA-N 1 0 385.327 2.884 20 0 GFADRO CCOCCC[N@@H+]1CC[C@H](NS(=O)(=O)c2ccc(Cl)s2)[C@H](C)C1 ZINC000115591801 655240167 /nfs/dbraw/zinc/24/01/67/655240167.db2.gz DNTZYQKKRXFZLV-OLZOCXBDSA-N 1 0 380.963 2.817 20 0 GFADRO O=C(NCCc1nc2cc(Cl)ccc2s1)NCC[N@@H+]1CCCOCC1 ZINC000275597447 655243421 /nfs/dbraw/zinc/24/34/21/655243421.db2.gz GIDLEGAXRLYTMP-UHFFFAOYSA-N 1 0 382.917 2.514 20 0 GFADRO COc1cc[nH+]c(N2CCN(C(=O)c3c(F)cccc3Br)CC2)c1 ZINC000176499164 655247907 /nfs/dbraw/zinc/24/79/07/655247907.db2.gz RENICJINZTYPLD-UHFFFAOYSA-N 1 0 394.244 2.954 20 0 GFADRO CCN1CC[NH+](CCCCNC(=O)Cc2ccc(C)c(Br)c2)CC1 ZINC000275871631 655254059 /nfs/dbraw/zinc/25/40/59/655254059.db2.gz YWDZTKHCXLUEEL-UHFFFAOYSA-N 1 0 396.373 2.834 20 0 GFADRO CCCCCS(=O)(=O)CC(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1 ZINC000116816319 655254160 /nfs/dbraw/zinc/25/41/60/655254160.db2.gz QQHKTMYVZQSDEI-UHFFFAOYSA-N 1 0 390.933 2.824 20 0 GFADRO Cc1cc(NC(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)ccc1Br ZINC000176777602 655256161 /nfs/dbraw/zinc/25/61/61/655256161.db2.gz ZRKJZMOWJRZVKN-AWEZNQCLSA-N 1 0 382.302 2.944 20 0 GFADRO CCO[C@@H](CC[NH+](C)C)CNC(=O)CCc1cc(Br)cs1 ZINC000176896426 655259711 /nfs/dbraw/zinc/25/97/11/655259711.db2.gz PIOXMGKSIUAPQB-ZDUSSCGKSA-N 1 0 377.348 2.916 20 0 GFADRO O=C(NCC[N@@H+]1CCCOCC1)Nc1cc(Br)c(F)cc1F ZINC000276134691 655263999 /nfs/dbraw/zinc/26/39/99/655263999.db2.gz ZKQYZSQWLOYMFP-UHFFFAOYSA-N 1 0 378.217 2.571 20 0 GFADRO COc1c(Cl)cc(NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1Cl ZINC000276197416 655266907 /nfs/dbraw/zinc/26/69/07/655266907.db2.gz YVFFZVQZCDXADW-CMPLNLGQSA-N 1 0 388.295 2.882 20 0 GFADRO Cc1csc(C(=O)N2CCC[C@H]2C[NH+](C)C)c1I ZINC000276301481 655270505 /nfs/dbraw/zinc/27/05/05/655270505.db2.gz CUORHXOKZQTVIH-JTQLQIEISA-N 1 0 378.279 2.827 20 0 GFADRO Cc1ccc(CC(=O)NCC2(O)CC[NH+](C(C)C)CC2)cc1Br ZINC000276311879 655270958 /nfs/dbraw/zinc/27/09/58/655270958.db2.gz VSTQMZGXZWWJNT-UHFFFAOYSA-N 1 0 383.330 2.652 20 0 GFADRO CCC(CC)[C@@H](CNC(=O)C(=O)Nc1ccc(Br)cc1)[NH+](C)C ZINC000118098573 655271613 /nfs/dbraw/zinc/27/16/13/655271613.db2.gz DZTQNPLTEAAQEY-OAHLLOKOSA-N 1 0 384.318 2.870 20 0 GFADRO CC[N@H+](CCNC(=O)C(=O)Nc1c(C)cc(Br)cc1C)C1CC1 ZINC000118121224 655272161 /nfs/dbraw/zinc/27/21/61/655272161.db2.gz BIJJCAYLBRUADX-UHFFFAOYSA-N 1 0 382.302 2.605 20 0 GFADRO CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)Nc1cccc(Br)c1C ZINC000118126890 655272457 /nfs/dbraw/zinc/27/24/57/655272457.db2.gz WWVDVYLSZVDZTO-ZDUSSCGKSA-N 1 0 382.302 2.687 20 0 GFADRO C[N@H+](CCc1cnccn1)Cc1ccc(Br)cc1N1CCOCC1 ZINC000276363804 655272730 /nfs/dbraw/zinc/27/27/30/655272730.db2.gz BCFAFZMIZIHWLP-UHFFFAOYSA-N 1 0 391.313 2.750 20 0 GFADRO C[C@H](NC(=O)N1CC[NH+](CC(C)(C)O)CC1)c1ccc(Br)cc1 ZINC000177407869 655275706 /nfs/dbraw/zinc/27/57/06/655275706.db2.gz LWDLGMZOHSIRTI-ZDUSSCGKSA-N 1 0 384.318 2.608 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)c2csc(I)c2)C1 ZINC000177545507 655280594 /nfs/dbraw/zinc/28/05/94/655280594.db2.gz MYGCXYRTOYAOHM-WDEREUQCSA-N 1 0 378.279 2.955 20 0 GFADRO CCO[C@H](C)C(=O)NC1CC[NH+](CCOc2ccc(Br)cc2)CC1 ZINC000118747001 655281661 /nfs/dbraw/zinc/28/16/61/655281661.db2.gz RJDSWVLHUCVCJA-CQSZACIVSA-N 1 0 399.329 2.834 20 0 GFADRO O=C(C[NH2+][C@@H]1CCCOc2ccc(Br)cc21)NCC(F)(F)F ZINC000177904012 655290567 /nfs/dbraw/zinc/29/05/67/655290567.db2.gz OWFXJOHIQVOIJO-LLVKDONJSA-N 1 0 381.192 2.931 20 0 GFADRO CCOc1ccc(NC(=O)C[NH2+][C@@H](C)Cn2cc(Br)cn2)cc1 ZINC000177927912 655291919 /nfs/dbraw/zinc/29/19/19/655291919.db2.gz RTMLYGOMFXCTEQ-LBPRGKRZSA-N 1 0 381.274 2.661 20 0 GFADRO Cc1ccc(NC(=O)C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)c(Br)c1 ZINC000178014840 655295569 /nfs/dbraw/zinc/29/55/69/655295569.db2.gz WSZKRWYURZTMQC-CHWSQXEVSA-N 1 0 382.302 2.685 20 0 GFADRO Cc1ccc(Br)c(S(=O)(=O)N2CCC[C@H]([NH+](C)C)CC2)c1 ZINC000277042672 655299823 /nfs/dbraw/zinc/29/98/23/655299823.db2.gz PIJPRZRBQDFZJF-ZDUSSCGKSA-N 1 0 375.332 2.862 20 0 GFADRO C[C@H]([NH2+][C@@H](C)C1CCCC1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000178227739 655299958 /nfs/dbraw/zinc/29/99/58/655299958.db2.gz RAECMAOGIMRJRV-KBPBESRZSA-N 1 0 388.555 2.642 20 0 GFADRO Cc1cc(Br)cc(NC(=O)C(=O)N2CCC[C@@H]([NH+](C)C)CC2)c1 ZINC000277081799 655302159 /nfs/dbraw/zinc/30/21/59/655302159.db2.gz JFMLFDMOVMTXJF-OAHLLOKOSA-N 1 0 382.302 2.639 20 0 GFADRO OC[C@H](C[NH2+]C1CCC2(CC1)OCCO2)Cc1ccccc1Br ZINC000277083161 655302284 /nfs/dbraw/zinc/30/22/84/655302284.db2.gz JUPUYFCPPFJWKO-AWEZNQCLSA-N 1 0 384.314 2.875 20 0 GFADRO Cc1cc(Cl)c(NC(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)cc1Cl ZINC000119465720 655304782 /nfs/dbraw/zinc/30/47/82/655304782.db2.gz FRGAUOYQVBWPRG-UHFFFAOYSA-N 1 0 384.267 2.637 20 0 GFADRO Cc1csc([C@](O)(CC(=O)N2CCC[C@@H]([NH+](C)C)CC2)C(F)(F)F)n1 ZINC000277133335 655304956 /nfs/dbraw/zinc/30/49/56/655304956.db2.gz GSEMYAMCMDLRAT-IUODEOHRSA-N 1 0 379.448 2.534 20 0 GFADRO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CCN1CCOCC1(C)C ZINC000178597236 655305527 /nfs/dbraw/zinc/30/55/27/655305527.db2.gz CPZBRRNMWOVFFP-CQSZACIVSA-N 1 0 398.345 2.867 20 0 GFADRO CCN(CC1CC[NH+](C[C@H](C)CS(C)(=O)=O)CC1)C(=O)OC(C)(C)C ZINC000119536542 655306066 /nfs/dbraw/zinc/30/60/66/655306066.db2.gz KEUZSWKHWFZEGQ-HNNXBMFYSA-N 1 0 376.563 2.636 20 0 GFADRO O=S(=O)(N1CCC(C[NH2+]Cc2cc(F)c(F)cc2F)CC1)C(F)(F)F ZINC000178623832 655306140 /nfs/dbraw/zinc/30/61/40/655306140.db2.gz OBXUKZRRRSDZFW-UHFFFAOYSA-N 1 0 390.349 2.755 20 0 GFADRO O=C(C[C@H]1CCC[NH2+]1)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000178657332 655307218 /nfs/dbraw/zinc/30/72/18/655307218.db2.gz WNHYVTVKIHDWPC-GFCCVEGCSA-N 1 0 376.810 2.545 20 0 GFADRO C[C@@H]([NH2+]CCC(=O)N1CCN(C)CC1)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000178671443 655307788 /nfs/dbraw/zinc/30/77/88/655307788.db2.gz BCZJCOYREYHBAJ-KGLIPLIRSA-N 1 0 388.339 2.903 20 0 GFADRO CCn1cc(Br)cc1C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000178740591 655308655 /nfs/dbraw/zinc/30/86/55/655308655.db2.gz LACRNGMALWQLNE-NVXWUHKLSA-N 1 0 398.345 2.768 20 0 GFADRO C[NH+](C)CCOc1ccccc1C(=O)Nc1c[nH]cc(Br)c1=O ZINC000119629202 655309190 /nfs/dbraw/zinc/30/91/90/655309190.db2.gz TWGOKMJBCFDUMH-UHFFFAOYSA-N 1 0 380.242 2.742 20 0 GFADRO Cc1nn(Cc2cccc(Br)c2)c(C)c1C(=O)NC[C@H]1CCC[NH2+]1 ZINC000178752228 655309246 /nfs/dbraw/zinc/30/92/46/655309246.db2.gz OBTFCSSYDXMQFW-MRXNPFEDSA-N 1 0 391.313 2.793 20 0 GFADRO O=C(c1ccncc1I)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000119701657 655311657 /nfs/dbraw/zinc/31/16/57/655311657.db2.gz ZYCYNZRZGXCECM-CYBMUJFWSA-N 1 0 399.276 2.777 20 0 GFADRO C[NH+](C)[C@@H]1CCCN(C(=O)c2ccc(Br)cc2-n2cncn2)CC1 ZINC000277328261 655313072 /nfs/dbraw/zinc/31/30/72/655313072.db2.gz RNYFDFZVCKQUGZ-CQSZACIVSA-N 1 0 392.301 2.586 20 0 GFADRO COCCCOCC[N@H+](C)Cn1ccc(=O)c2cccc(Br)c21 ZINC000179794796 655317502 /nfs/dbraw/zinc/31/75/02/655317502.db2.gz COVPEGSFQLPXLW-UHFFFAOYSA-N 1 0 383.286 2.706 20 0 GFADRO C[C@@H]([NH3+])CCC(=O)N1CCC(C(=O)Nc2cccc(Br)c2)CC1 ZINC000277453415 655319966 /nfs/dbraw/zinc/31/99/66/655319966.db2.gz GVVRTTYPPGCJSM-GFCCVEGCSA-N 1 0 382.302 2.754 20 0 GFADRO C[C@H](CS(=O)(=O)c1ccccc1)[NH2+]CC1(N2CCSCC2)CCCC1 ZINC000119952492 655322689 /nfs/dbraw/zinc/32/26/89/655322689.db2.gz YWEACCNMKNOHNT-QGZVFWFLSA-N 1 0 382.595 2.800 20 0 GFADRO CCCN(CCC[NH+](C)C)C(=O)NCCCCn1cc(Br)cn1 ZINC000280334661 655329591 /nfs/dbraw/zinc/32/95/91/655329591.db2.gz JLIXSCHGELJKNO-UHFFFAOYSA-N 1 0 388.354 2.799 20 0 GFADRO COc1cc([C@H](C)[NH2+][C@H]2CC[C@@H](CO)CC2)ccc1S(=O)(=O)C(F)F ZINC000120219268 655331665 /nfs/dbraw/zinc/33/16/65/655331665.db2.gz NQNDMKGHQYSZSR-OBJOEFQTSA-N 1 0 377.453 2.893 20 0 GFADRO C[C@@H](NC(=O)CN1CC[C@@H]2COC(=O)N[C@H]2C1)c1ccc(Cl)cc1Cl ZINC000281578190 655335599 /nfs/dbraw/zinc/33/55/99/655335599.db2.gz ZPZWMNWQUKWBNF-HFAKWTLXSA-N 1 0 386.279 2.601 20 0 GFADRO Cc1ccc(Br)c(NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000120529749 655338365 /nfs/dbraw/zinc/33/83/65/655338365.db2.gz WFMVMUJIGPVVGS-CHWSQXEVSA-N 1 0 382.302 2.637 20 0 GFADRO C[C@H]([NH2+]CC(=O)Nc1ccccc1C(N)=O)c1ccc(Br)cc1 ZINC000181558381 655338848 /nfs/dbraw/zinc/33/88/48/655338848.db2.gz KZXLSCAUNAOZPE-NSHDSACASA-N 1 0 376.254 2.837 20 0 GFADRO CN(CN1CC[C@@H](c2cccc(Br)c2)C1=O)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000839995848 661122606 /nfs/dbraw/zinc/12/26/06/661122606.db2.gz KLHBMQUMZCMIFQ-MSOLQXFVSA-N 1 0 392.341 2.891 20 0 GFADRO C[NH+](C)C[C@@H]1CCN(CN2CC[C@H](c3cccc(Br)c3)C2=O)C1 ZINC000840002092 661123101 /nfs/dbraw/zinc/12/31/01/661123101.db2.gz BCVPUUANVVDDBX-WMLDXEAASA-N 1 0 380.330 2.606 20 0 GFADRO C=C(C)CN(C)CN1C(=O)N[C@](C)(c2ccc(F)cc2Br)C1=O ZINC000182630558 655345776 /nfs/dbraw/zinc/34/57/76/655345776.db2.gz CWXOFNZHIBVYKH-MRXNPFEDSA-N 1 0 384.249 2.821 20 0 GFADRO CC(=O)N[C@@H](CC(=O)NNc1cc[nH+]cc1)c1ccc(Br)cc1 ZINC000183022086 655348671 /nfs/dbraw/zinc/34/86/71/655348671.db2.gz HACKVGWDJUDUHM-HNNXBMFYSA-N 1 0 377.242 2.555 20 0 GFADRO CC[NH+]1CCN(C[C@H](C)CNS(=O)(=O)/C=C/c2cccc(Cl)c2)CC1 ZINC000184169819 655355588 /nfs/dbraw/zinc/35/55/88/655355588.db2.gz UVGXXLHBZQAPJX-NYUWMOHMSA-N 1 0 385.961 2.504 20 0 GFADRO OCCOC1(C[NH2+][C@@H]2CCc3sc(Br)cc32)CCOCC1 ZINC000294043228 655364444 /nfs/dbraw/zinc/36/44/44/655364444.db2.gz GFMFSCCJUPGETI-GFCCVEGCSA-N 1 0 376.316 2.646 20 0 GFADRO Cc1c([C@H](C)[NH2+]C[C@H]2CC[C@@H](CO)O2)nnn1-c1cccc(Br)c1 ZINC000294047804 655364668 /nfs/dbraw/zinc/36/46/68/655364668.db2.gz GMXXTEGZDLABES-XZJROXQQSA-N 1 0 395.301 2.529 20 0 GFADRO NS(=O)(=O)c1ccc(NC2CC[NH+](C3CCC3)CC2)c(C(F)(F)F)c1 ZINC000295979019 655367500 /nfs/dbraw/zinc/36/75/00/655367500.db2.gz KYQAHEKZDFVRAL-UHFFFAOYSA-N 1 0 377.432 2.782 20 0 GFADRO C[C@@H]1[C@H]([NH3+])CCCN1C(=O)CCc1nc(-c2cc(Br)cs2)no1 ZINC000297406267 655370545 /nfs/dbraw/zinc/37/05/45/655370545.db2.gz QAIRJBKSGKBMNJ-MWLCHTKSSA-N 1 0 399.314 2.831 20 0 GFADRO COC[C@@H](C)NC(=[NH2+])NCc1cc(Br)ccc1Br ZINC000187050105 655372575 /nfs/dbraw/zinc/37/25/75/655372575.db2.gz PNVGCRQATXXYIS-MRVPVSSYSA-N 1 0 379.096 2.651 20 0 GFADRO O=C(Cn1cc(Br)cn1)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000298733325 655373849 /nfs/dbraw/zinc/37/38/49/655373849.db2.gz SDFPOMXBCRNBOO-AWEZNQCLSA-N 1 0 381.274 2.582 20 0 GFADRO Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@H]2CCCN2S(C)(=O)=O)c1O ZINC000187396362 655374106 /nfs/dbraw/zinc/37/41/06/655374106.db2.gz VPQWNKUAFZKAOF-DGCLKSJQSA-N 1 0 391.331 2.538 20 0 GFADRO CS[C@@H]1CN(CCC(=O)N2CCc3sccc3C2)C[C@H]1[NH+]1CCCC1 ZINC000299369594 655374892 /nfs/dbraw/zinc/37/48/92/655374892.db2.gz QDDGIHSHCDTBLN-SJLPKXTDSA-N 1 0 379.595 2.535 20 0 GFADRO O=C(CNC(=O)c1cccs1)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000299430446 655375957 /nfs/dbraw/zinc/37/59/57/655375957.db2.gz OIWWYOZZMXRXDI-UHFFFAOYSA-N 1 0 377.535 2.568 20 0 GFADRO CC(C)[C@@H](CNC(=O)NCc1cccc(Br)c1)[NH+]1CCN(C)CC1 ZINC000299459673 655376271 /nfs/dbraw/zinc/37/62/71/655376271.db2.gz QJDSRKIOQCMPMJ-QGZVFWFLSA-N 1 0 397.361 2.520 20 0 GFADRO Cc1ccc(Br)nc1C(=O)N[C@H](C)C1(N2CCOCC2)CCCC1 ZINC000187845537 655376827 /nfs/dbraw/zinc/37/68/27/655376827.db2.gz CDENENQTQRMQHO-CQSZACIVSA-N 1 0 396.329 2.916 20 0 GFADRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)Nc1cc(Cl)c(N)c(Cl)c1 ZINC000299552480 655376850 /nfs/dbraw/zinc/37/68/50/655376850.db2.gz GDKLCXPKBJGYCB-JTQLQIEISA-N 1 0 387.311 2.703 20 0 GFADRO O=C(NCC1(c2cccc(Br)c2)CCC1)c1[nH]nc2c1C[NH2+]CC2 ZINC000188420712 655379820 /nfs/dbraw/zinc/37/98/20/655379820.db2.gz HIYZWKSKXSNMCJ-UHFFFAOYSA-N 1 0 389.297 2.670 20 0 GFADRO COc1ccc(C(=O)Nc2cnn(C3CC[NH2+]CC3)c2)cc1Br ZINC000321354654 655382639 /nfs/dbraw/zinc/38/26/39/655382639.db2.gz DCBQZBKTCHQXBN-UHFFFAOYSA-N 1 0 379.258 2.831 20 0 GFADRO CC(C)c1ccc(C(=O)NC2CCN(CCS(C)(=O)=O)CC2)cc1Cl ZINC000189268006 655385665 /nfs/dbraw/zinc/38/56/65/655385665.db2.gz GCQAGFVDWRRZJS-UHFFFAOYSA-N 1 0 386.945 2.702 20 0 GFADRO Cc1c(C(=O)N2CC[C@@]3(CCC[NH2+]3)C2)cnn1-c1ccc(Br)cc1 ZINC000333843872 655388225 /nfs/dbraw/zinc/38/82/25/655388225.db2.gz OUMQZPFCJXJJIS-SFHVURJKSA-N 1 0 389.297 2.911 20 0 GFADRO Cc1ccc(Br)nc1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cn1 ZINC000189797784 655388231 /nfs/dbraw/zinc/38/82/31/655388231.db2.gz CQHVMQZDKDPIBJ-UHFFFAOYSA-N 1 0 390.285 2.552 20 0 GFADRO O=C1N[C@@]2(CCSC2)C(=O)N1C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000349162401 655388539 /nfs/dbraw/zinc/38/85/39/655388539.db2.gz IVDCNLANGZNCIG-GOSISDBHSA-N 1 0 379.913 2.732 20 0 GFADRO O=C1N[C@@H](c2ccc(Br)cc2)C(=O)N1C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000349228405 655388674 /nfs/dbraw/zinc/38/86/74/655388674.db2.gz WTJJTNZEBGZKQC-ABAIWWIYSA-N 1 0 378.270 2.526 20 0 GFADRO O=C1N[C@H](c2ccc(Br)cc2)C(=O)N1[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000349233843 655388705 /nfs/dbraw/zinc/38/87/05/655388705.db2.gz JJQLQTCHLUGCMC-QLFBSQMISA-N 1 0 378.270 2.669 20 0 GFADRO COc1ccc2c(c1)[C@@H]([NH3+])CCN2C(=O)c1c[nH]c(=O)c(Br)c1 ZINC000365484537 655394308 /nfs/dbraw/zinc/39/43/08/655394308.db2.gz OXCGRQCSAVQYMH-ZDUSSCGKSA-N 1 0 378.226 2.609 20 0 GFADRO Cn1ccnc1[C@H]1CCCN([C@H](C(N)=O)c2ccc(Br)cc2F)C1 ZINC000365631203 655394749 /nfs/dbraw/zinc/39/47/49/655394749.db2.gz QFQVBJQAZKSKPT-NHYWBVRUSA-N 1 0 395.276 2.728 20 0 GFADRO CC(C)(C)[NH2+]CCNC(=O)c1nc(Br)ccc1Br ZINC000192373973 655404975 /nfs/dbraw/zinc/40/49/75/655404975.db2.gz GGGZJTAUUBBQTO-UHFFFAOYSA-N 1 0 379.096 2.725 20 0 GFADRO CC[NH2+]CCNC(=O)N1CCC[C@H]1c1ccc(I)cc1 ZINC000418326227 655405459 /nfs/dbraw/zinc/40/54/59/655405459.db2.gz NXKSGYGABCKHAW-AWEZNQCLSA-N 1 0 387.265 2.747 20 0 GFADRO COc1cc(Br)cc(C[N@H+](C)CCN2C[C@@H](C)O[C@@H](C)C2)c1O ZINC000193399862 655409980 /nfs/dbraw/zinc/40/99/80/655409980.db2.gz HTDSZMMXYMKHKD-BETUJISGSA-N 1 0 387.318 2.704 20 0 GFADRO CO[C@H](CS(=O)(=O)N(CC[NH+](C)C)Cc1cccs1)c1ccccc1 ZINC000451305317 655411005 /nfs/dbraw/zinc/41/10/05/655411005.db2.gz QKLVJUNVUKVTSB-GOSISDBHSA-N 1 0 382.551 2.829 20 0 GFADRO O[C@@H](COc1ccc(Br)cc1)C[NH+]1CCC(c2cn[nH]c2)CC1 ZINC000507224113 655416974 /nfs/dbraw/zinc/41/69/74/655416974.db2.gz NKGBQXLETRZLDO-MRXNPFEDSA-N 1 0 380.286 2.792 20 0 GFADRO C[C@@H]1CN(C(=O)c2ccc(OC(F)(F)Cl)cc2)CC[N@@H+]1CC(C)(C)O ZINC000194887925 655417950 /nfs/dbraw/zinc/41/79/50/655417950.db2.gz JAHAAWQQLWNYTE-GFCCVEGCSA-N 1 0 376.831 2.772 20 0 GFADRO CS(=O)(=O)N[C@@H]1CCCC[C@@H]1C[NH2+]Cc1ccc(Br)c(F)c1 ZINC000512896223 655418037 /nfs/dbraw/zinc/41/80/37/655418037.db2.gz TYPNCCQZVZATIB-IUODEOHRSA-N 1 0 393.322 2.786 20 0 GFADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)Oc1ccc(F)cc1Cl ZINC000195327308 655420115 /nfs/dbraw/zinc/42/01/15/655420115.db2.gz KCSFFUMGPRWTNV-UHFFFAOYSA-N 1 0 375.853 2.622 20 0 GFADRO CC[N@H+](C)C[C@H]1CCN(S(=O)(=O)Cc2ccccc2Br)C1 ZINC000553502436 655422334 /nfs/dbraw/zinc/42/23/34/655422334.db2.gz ZCCFPYKZQHUCAD-CYBMUJFWSA-N 1 0 375.332 2.553 20 0 GFADRO CS(=O)(=O)CCC[NH2+]Cc1cc(Br)c(Br)s1 ZINC000227815786 655422920 /nfs/dbraw/zinc/42/29/20/655422920.db2.gz UIGYWFIQAWPRNP-UHFFFAOYSA-N 1 0 391.150 2.797 20 0 GFADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000567211349 655425370 /nfs/dbraw/zinc/42/53/70/655425370.db2.gz BWAXWLXEXSGKGF-CVEARBPZSA-N 1 0 391.313 2.516 20 0 GFADRO COC(=O)c1cc(S(=O)(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)c(Cl)cc1Cl ZINC000237194853 655425837 /nfs/dbraw/zinc/42/58/37/655425837.db2.gz QTXWNQRVHRPLJP-ZJUUUORDSA-N 1 0 395.308 2.528 20 0 GFADRO COCC[NH2+]CCNC(=O)C(C)(C)Sc1ccc(Br)cc1 ZINC000237265769 655426061 /nfs/dbraw/zinc/42/60/61/655426061.db2.gz CLZQEDGDRMCRJE-UHFFFAOYSA-N 1 0 375.332 2.672 20 0 GFADRO C[C@@H]1[C@@H](NC(=O)c2cc[nH]c(=O)c2Br)CC[N@@H+]1Cc1ccccc1 ZINC000574233572 655426933 /nfs/dbraw/zinc/42/69/33/655426933.db2.gz ZIMFGXLVCQZYRL-DOMZBBRYSA-N 1 0 390.281 2.943 20 0 GFADRO CCC[N@H+](CC)C[C@@H](C)NS(=O)(=O)c1ccc(OC)c(Br)c1 ZINC000574243612 655427162 /nfs/dbraw/zinc/42/71/62/655427162.db2.gz SCSPKMAHBFXZSB-GFCCVEGCSA-N 1 0 393.347 2.856 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)[C@@H](C)C1 ZINC000245845331 655428460 /nfs/dbraw/zinc/42/84/60/655428460.db2.gz KYARBTUTRLTXNR-IUCAKERBSA-N 1 0 386.386 2.733 20 0 GFADRO C[C@@H]1C[N@@H+](CCCNC(=O)[C@@H](O)c2cc(Cl)cc(Cl)c2)C[C@H](C)O1 ZINC000245745089 655428597 /nfs/dbraw/zinc/42/85/97/655428597.db2.gz FTBNRGZNZCRYGO-OZVIIMIRSA-N 1 0 375.296 2.642 20 0 GFADRO COc1ccc(C[NH2+][C@@H]2CCC[C@@H]3CN(C(C)=O)C[C@H]32)c(Br)c1O ZINC000574309497 655428700 /nfs/dbraw/zinc/42/87/00/655428700.db2.gz DRSVMOLEMKRCFI-RBSFLKMASA-N 1 0 397.313 2.900 20 0 GFADRO CCS(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@@H](C)N2CCC[C@@H](C)C2)c1 ZINC000246323523 655429838 /nfs/dbraw/zinc/42/98/38/655429838.db2.gz HLXVYEGCCKLNMC-ZIAGYGMSSA-N 1 0 386.945 2.984 20 0 GFADRO CSC1(CNC(=O)c2ccc(OCC(F)(F)F)nc2)CC[NH+](C)CC1 ZINC000574801889 655430989 /nfs/dbraw/zinc/43/09/89/655430989.db2.gz XEJUIZODIWAFIU-UHFFFAOYSA-N 1 0 377.432 2.580 20 0 GFADRO CCNC(=O)C1(C[NH2+]C[C@@H](O)COc2c(Cl)cccc2Cl)CCC1 ZINC000575117453 655435931 /nfs/dbraw/zinc/43/59/31/655435931.db2.gz OXVXFIMYURJNJH-GFCCVEGCSA-N 1 0 375.296 2.629 20 0 GFADRO Cc1nc(S(=O)(=O)N2CC[C@@H]([N@H+](C)CCc3ccccc3)C2)sc1C ZINC000575137880 655436088 /nfs/dbraw/zinc/43/60/88/655436088.db2.gz HRDRLLFDULCCLC-QGZVFWFLSA-N 1 0 379.551 2.697 20 0 GFADRO O=S(=O)(Cc1cccc(Br)c1)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000575181241 655436953 /nfs/dbraw/zinc/43/69/53/655436953.db2.gz WWNCSWRNLXUINO-HUUCEWRRSA-N 1 0 387.343 2.600 20 0 GFADRO C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)c1c(F)cccc1I ZINC000575981008 655441359 /nfs/dbraw/zinc/44/13/59/655441359.db2.gz SCNBQTPNJKTFIB-JRKPZEMJSA-N 1 0 376.213 2.547 20 0 GFADRO O=C(CN1CC[NH2+]C[C@H]1c1cccc(Cl)c1)N1CCc2sccc2C1 ZINC000261613978 655441395 /nfs/dbraw/zinc/44/13/95/655441395.db2.gz BOJKFWTZBDYGAL-KRWDZBQOSA-N 1 0 375.925 2.933 20 0 GFADRO C[C@@]([NH3+])(C(=O)N1CCC(c2cn[nH]c2)CC1)c1ccc(Br)cc1 ZINC000261708674 655441888 /nfs/dbraw/zinc/44/18/88/655441888.db2.gz JBTBKIDCHWAXJE-KRWDZBQOSA-N 1 0 377.286 2.752 20 0 GFADRO [NH3+][C@H](CNC(=O)c1ccc(NC(=O)CSc2cccs2)cc1)C1CC1 ZINC000261922469 655442955 /nfs/dbraw/zinc/44/29/55/655442955.db2.gz JGTPQEAZGOKHDL-OAHLLOKOSA-N 1 0 375.519 2.946 20 0 GFADRO Cc1cc(OC[C@@H](O)C[NH2+]C[C@@H](C)S(C)(=O)=O)c(C(C)C)cc1Cl ZINC000576101220 655443312 /nfs/dbraw/zinc/44/33/12/655443312.db2.gz NLWRBKJRIYMCFM-KGLIPLIRSA-N 1 0 377.934 2.534 20 0 GFADRO C[C@@H](C[NH3+])NC(=O)c1nn(-c2cccc(Br)c2)c2c1CCCC2 ZINC000262530884 655446108 /nfs/dbraw/zinc/44/61/08/655446108.db2.gz NNTRCPWAZDAOIG-NSHDSACASA-N 1 0 377.286 2.591 20 0 GFADRO Cc1ccc([C@@H]([NH3+])C(=O)NC[C@@H](O)COc2cccc(Cl)c2Cl)cc1 ZINC000262626358 655446390 /nfs/dbraw/zinc/44/63/90/655446390.db2.gz GAIYKZONKNBNFA-CXAGYDPISA-N 1 0 383.275 2.858 20 0 GFADRO Cc1cc(Br)cc(S(=O)(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000576399711 655446755 /nfs/dbraw/zinc/44/67/55/655446755.db2.gz RTCHLYHEZYPSHN-UONOGXRCSA-N 1 0 387.343 2.768 20 0 GFADRO Cc1nn(-c2ccc(C(=O)N[C@H]3CC[NH2+]C[C@@H]3C)cc2)c(C)c1Br ZINC000262789391 655447199 /nfs/dbraw/zinc/44/71/99/655447199.db2.gz MUAGCGKJNNGPGH-ZBEGNZNMSA-N 1 0 391.313 2.979 20 0 GFADRO [NH3+]Cc1cc(NC(=O)CCS(=O)(=O)C2CCCC2)cc(C(F)(F)F)c1 ZINC000262895638 655447744 /nfs/dbraw/zinc/44/77/44/655447744.db2.gz AWWTVZNTBIWGNM-UHFFFAOYSA-N 1 0 378.416 2.850 20 0 GFADRO OC[C@@H]1CC[C@H](C[NH2+]Cc2cc(Br)cc(Br)c2)O1 ZINC000576571408 655449078 /nfs/dbraw/zinc/44/90/78/655449078.db2.gz YJTXOBNKAKLILM-OLZOCXBDSA-N 1 0 379.092 2.841 20 0 GFADRO CC(C)C[C@](C)(C[NH3+])NC(=O)COc1cccc(I)c1 ZINC000576576735 655449267 /nfs/dbraw/zinc/44/92/67/655449267.db2.gz MBLDXLVAKPASMW-OAHLLOKOSA-N 1 0 390.265 2.550 20 0 GFADRO CCS(=O)(=O)N1CC(C[NH2+]Cc2cnc(-c3ccc(Cl)cc3)s2)C1 ZINC000576654892 655450628 /nfs/dbraw/zinc/45/06/28/655450628.db2.gz XTWLDSDLZQWCQJ-UHFFFAOYSA-N 1 0 385.942 2.835 20 0 GFADRO CC[NH+](CC)CCS(=O)(=O)N(C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000576743006 655452089 /nfs/dbraw/zinc/45/20/89/655452089.db2.gz CNOBBSRNJNFNFJ-HZPDHXFCSA-N 1 0 395.352 2.555 20 0 GFADRO COc1cc(C[NH2+][C@@H]2CCC[C@H]3CN(C(C)=O)C[C@H]32)cc(Br)c1O ZINC000576853486 655453102 /nfs/dbraw/zinc/45/31/02/655453102.db2.gz DSSHSGNWIJPFPW-SQWLQELKSA-N 1 0 397.313 2.900 20 0 GFADRO COc1cc(Br)c(NC(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1OC ZINC000576925081 655454801 /nfs/dbraw/zinc/45/48/01/655454801.db2.gz INQRSEPMBZFZDH-SDDRHHMPSA-N 1 0 398.301 2.976 20 0 GFADRO C[NH+](C)[C@]1(CNC(=O)Cc2noc3ccc(Br)cc32)CCSC1 ZINC000577054931 655456683 /nfs/dbraw/zinc/45/66/83/655456683.db2.gz HAEQCALTJAASCT-INIZCTEOSA-N 1 0 398.326 2.686 20 0 GFADRO C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)C)c1cncc(Br)c1 ZINC000577077548 655457139 /nfs/dbraw/zinc/45/71/39/655457139.db2.gz LVBWAYILWSXSMF-FCLXEUQJSA-N 1 0 395.345 2.578 20 0 GFADRO C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)c1[nH]nc(-c2ccccc2)c1Br ZINC000577374618 655458086 /nfs/dbraw/zinc/45/80/86/655458086.db2.gz DGYUMSPMHWOEKQ-GYSYKLTISA-N 1 0 377.286 2.956 20 0 GFADRO Cc1csc([C@@](O)(CC(=O)NCC[N@@H+](C)C2CCCC2)C(F)(F)F)n1 ZINC000264203598 655458835 /nfs/dbraw/zinc/45/88/35/655458835.db2.gz RNESMGPNPQKCPR-HNNXBMFYSA-N 1 0 379.448 2.582 20 0 GFADRO O=C(NCc1cccc(Br)c1)NCC1([NH+]2CCCC2)CCOCC1 ZINC000264307048 655460697 /nfs/dbraw/zinc/46/06/97/655460697.db2.gz PFCUSXROBIWFLO-UHFFFAOYSA-N 1 0 396.329 2.893 20 0 GFADRO O=C(NCc1ccc(Br)cc1)NCC1([NH+]2CCCC2)CCOCC1 ZINC000264324416 655460922 /nfs/dbraw/zinc/46/09/22/655460922.db2.gz BNVLHOZGUHZXCI-UHFFFAOYSA-N 1 0 396.329 2.893 20 0 GFADRO CCN(Cc1cccc(Br)c1)C(=O)N[C@H](C)CN1CC[NH+](C)CC1 ZINC000264396748 655462693 /nfs/dbraw/zinc/46/26/93/655462693.db2.gz YHBPHMGCDFGERQ-OAHLLOKOSA-N 1 0 397.361 2.617 20 0 GFADRO NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)CCCSc1ccc(Cl)cc1 ZINC000264433483 655463464 /nfs/dbraw/zinc/46/34/64/655463464.db2.gz AWTSZQYOWVYXPF-MRXNPFEDSA-N 1 0 383.945 2.668 20 0 GFADRO CCOc1cc(C[NH2+]C2CCC2)cc(Br)c1OCC(=O)N(C)C ZINC000264574889 655466311 /nfs/dbraw/zinc/46/63/11/655466311.db2.gz XRFOIVAZVDBTIW-UHFFFAOYSA-N 1 0 385.302 2.957 20 0 GFADRO O=S1(=O)C[C@@H](C[NH2+]Cc2csc(Br)c2)Oc2ccccc21 ZINC000577750782 655466424 /nfs/dbraw/zinc/46/64/24/655466424.db2.gz XPJCMZFWYRMETJ-LLVKDONJSA-N 1 0 388.308 2.835 20 0 GFADRO COc1ccc(S(=O)(=O)N2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)c(Cl)c1 ZINC000577751514 655466610 /nfs/dbraw/zinc/46/66/10/655466610.db2.gz IRXDHNFUVYFNPT-ZBFHGGJFSA-N 1 0 380.897 2.712 20 0 GFADRO COc1ccc([C@H](CCO)[NH2+][C@H](C)Cn2cc(Br)ccc2=O)cc1 ZINC000577764590 655466768 /nfs/dbraw/zinc/46/67/68/655466768.db2.gz RDRLELHEHDNOAL-DYVFJYSZSA-N 1 0 395.297 2.721 20 0 GFADRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)c1ccn(-c2cccc(Br)c2)n1 ZINC000264598359 655466928 /nfs/dbraw/zinc/46/69/28/655466928.db2.gz BYBREJVCDDUEHG-ZDUSSCGKSA-N 1 0 389.297 2.849 20 0 GFADRO C[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)C1 ZINC000264624265 655467350 /nfs/dbraw/zinc/46/73/50/655467350.db2.gz OULWCDMYJQJZDE-MLGOLLRUSA-N 1 0 384.307 2.666 20 0 GFADRO O[C@H](C[NH2+]CCCc1ccccn1)COc1cc(F)cc(Br)c1 ZINC000577860321 655468686 /nfs/dbraw/zinc/46/86/86/655468686.db2.gz XDANBNLPFCBBMC-MRXNPFEDSA-N 1 0 383.261 2.945 20 0 GFADRO CC[N@@H+]1CCCC[C@H]1CNC(=O)C[C@@](O)(c1nc(C)cs1)C(F)(F)F ZINC000264787169 655470557 /nfs/dbraw/zinc/47/05/57/655470557.db2.gz XHVNLEHLNBNDBI-SWLSCSKDSA-N 1 0 379.448 2.582 20 0 GFADRO CN1CCN(C(=O)c2csc(-c3ccc(Cl)c(Cl)c3)n2)[C@H](C[NH3+])C1 ZINC000578010950 655471120 /nfs/dbraw/zinc/47/11/20/655471120.db2.gz IVLRUZQJQFIJPI-LLVKDONJSA-N 1 0 385.320 2.832 20 0 GFADRO O=C(NCCC[C@H]1CCC[NH2+]1)[C@@H]1CSCN1C(=O)c1ccc(Cl)cc1 ZINC000578126957 655473115 /nfs/dbraw/zinc/47/31/15/655473115.db2.gz JTOSGBNQYYPBKP-CVEARBPZSA-N 1 0 381.929 2.504 20 0 GFADRO O[C@@H](C[NH2+]C[C@@H]1CCCCN1C1CC1)COc1ccc(Br)cc1 ZINC000578233044 655474715 /nfs/dbraw/zinc/47/47/15/655474715.db2.gz YFWHGRFDBFWEIU-IRXDYDNUSA-N 1 0 383.330 2.795 20 0 GFADRO C[NH2+][C@@H](C)Cc1noc(C2(c3ccc(I)cc3)CC2)n1 ZINC000578322334 655476723 /nfs/dbraw/zinc/47/67/23/655476723.db2.gz SKTWIIOSRLAXRQ-JTQLQIEISA-N 1 0 383.233 2.905 20 0 GFADRO CC(=O)Nc1ccc(OC[C@H](O)C[NH2+]Cc2cc(Br)cs2)cc1 ZINC000578500710 655480579 /nfs/dbraw/zinc/48/05/79/655480579.db2.gz BICARDFWZKISJN-CQSZACIVSA-N 1 0 399.310 2.999 20 0 GFADRO C[C@H](NC(=O)C(=O)N1CCC(CC[NH3+])CC1)c1cc(F)c(Cl)cc1Cl ZINC000578540965 655481445 /nfs/dbraw/zinc/48/14/45/655481445.db2.gz RNSWPIVPFCDEQH-JTQLQIEISA-N 1 0 390.286 2.897 20 0 GFADRO CNS(=O)(=O)C1CC[NH+](CC/C=C/c2ccc(Br)cc2)CC1 ZINC000265327353 655481444 /nfs/dbraw/zinc/48/14/44/655481444.db2.gz LWQOWYCBRDRUQT-DUXPYHPUSA-N 1 0 387.343 2.866 20 0 GFADRO CCCCS(=O)(=O)Nc1ccc(S(=O)(=O)Nc2cc[nH+]c(C)c2)cc1 ZINC000265688361 655488730 /nfs/dbraw/zinc/48/87/30/655488730.db2.gz FKWPQZSXPAIWHI-UHFFFAOYSA-N 1 0 383.495 2.733 20 0 GFADRO COCC[N@@H+]1CC[C@@H](NC(=O)NCCc2nc3cc(Cl)ccc3s2)C1 ZINC000265713372 655489177 /nfs/dbraw/zinc/48/91/77/655489177.db2.gz MELPLXFTFASCHS-CYBMUJFWSA-N 1 0 382.917 2.512 20 0 GFADRO C[C@H](CC[NH+](C)C)NC(=O)C(=O)Nc1cc(F)ccc1SCC(F)F ZINC000265816655 655491246 /nfs/dbraw/zinc/49/12/46/655491246.db2.gz PWJVDSHVLHHNQS-SNVBAGLBSA-N 1 0 377.432 2.578 20 0 GFADRO CS(=O)(=O)[C@H]1CCC[C@H]([NH2+]Cc2cc3c(c(Br)c2)OCO3)C1 ZINC000265845824 655491826 /nfs/dbraw/zinc/49/18/26/655491826.db2.gz HETPZUGZUAQNIT-RYUDHWBXSA-N 1 0 390.299 2.623 20 0 GFADRO CCOCC[C@@H](O)C[NH2+][C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O ZINC000579113197 655494182 /nfs/dbraw/zinc/49/41/82/655494182.db2.gz SMSNHSSVRAFQNB-UKRRQHHQSA-N 1 0 375.296 2.866 20 0 GFADRO COCC[NH2+]C1CCN(C(=O)N[C@H](C)c2nc(C(F)(F)F)cs2)CC1 ZINC000579117188 655494336 /nfs/dbraw/zinc/49/43/36/655494336.db2.gz NSXXCVYOYFRJGC-SNVBAGLBSA-N 1 0 380.436 2.633 20 0 GFADRO O=S(=O)(c1ccc(Cl)cc1Br)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000579121842 655494474 /nfs/dbraw/zinc/49/44/74/655494474.db2.gz GIJSHJRHKOCABV-PHIMTYICSA-N 1 0 393.734 2.723 20 0 GFADRO NC(=O)[C@H](c1ccc(Br)cc1F)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000265998619 655494714 /nfs/dbraw/zinc/49/47/14/655494714.db2.gz MZOXMMGWLFSUTG-CJNGLKHVSA-N 1 0 384.293 2.675 20 0 GFADRO O=C(NCc1cc(Br)ccc1Br)[C@H]1C[C@]12CC[NH2+]C2 ZINC000579235352 655496367 /nfs/dbraw/zinc/49/63/67/655496367.db2.gz HFUCIAKOEOVFKD-RISCZKNCSA-N 1 0 388.103 2.827 20 0 GFADRO COCCCN(C1CC[NH+](C)CC1)S(=O)(=O)c1c(F)cccc1Cl ZINC000579290693 655497133 /nfs/dbraw/zinc/49/71/33/655497133.db2.gz GDDQFQHBDXXZBY-UHFFFAOYSA-N 1 0 378.897 2.601 20 0 GFADRO C[C@H]([NH2+]C[C@@H]1CS(=O)(=O)CCO1)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000579506181 655500535 /nfs/dbraw/zinc/50/05/35/655500535.db2.gz NNXNDDWFDSPLJF-GMXVVIOVSA-N 1 0 382.309 2.552 20 0 GFADRO O=C(NC[C@@H]1CCN(c2ccc(Br)cc2)C1)[C@@H]1CCCCC[NH2+]1 ZINC000579714363 655502912 /nfs/dbraw/zinc/50/29/12/655502912.db2.gz SAKPDGJHWPZEPH-YOEHRIQHSA-N 1 0 380.330 2.924 20 0 GFADRO COCCN(Cc1sccc1Br)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC000579729433 655503274 /nfs/dbraw/zinc/50/32/74/655503274.db2.gz HFEKRMXLUNWDOR-LBPRGKRZSA-N 1 0 375.332 2.827 20 0 GFADRO [NH3+]C[C@H]1CC[C@H](CNS(=O)(=O)Cc2ccc(Br)cc2)CC1 ZINC000579837868 655504671 /nfs/dbraw/zinc/50/46/71/655504671.db2.gz WCPWTYZZNTZDFU-JOCQHMNTSA-N 1 0 375.332 2.634 20 0 GFADRO [NH3+]CC12CCC(CC1)CN2C(=O)c1ccc(I)c(F)c1 ZINC000579847226 655504822 /nfs/dbraw/zinc/50/48/22/655504822.db2.gz BCCDGXHWHXOXTL-UHFFFAOYSA-N 1 0 388.224 2.774 20 0 GFADRO C[C@H](NC(=O)C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2)c1cccc(Cl)c1Cl ZINC000579935865 655505820 /nfs/dbraw/zinc/50/58/20/655505820.db2.gz OFGPVCGZAGEUPR-SGTLLEGYSA-N 1 0 384.307 2.773 20 0 GFADRO CC[NH+](CC)C[C@@H](C)NC(=O)N(C)C[C@H](O)c1cccc(Br)c1 ZINC000840272192 661151307 /nfs/dbraw/zinc/15/13/07/661151307.db2.gz LJZCDELDYMKOBD-CJNGLKHVSA-N 1 0 386.334 2.854 20 0 GFADRO Cc1nc(SCCC(=O)Nc2nc3c(s2)C[N@@H+](C(C)(C)C)CC3)n[nH]1 ZINC000580065848 655507721 /nfs/dbraw/zinc/50/77/21/655507721.db2.gz ZSKGNRGPCAKVNR-UHFFFAOYSA-N 1 0 380.543 2.847 20 0 GFADRO CSC1(CNC(=O)Nc2nnc(-c3ccsc3)s2)CC[NH+](C)CC1 ZINC000580131972 655508678 /nfs/dbraw/zinc/50/86/78/655508678.db2.gz MSFWYLLGZHXHSH-UHFFFAOYSA-N 1 0 383.568 3.216 20 0 GFADRO CC[NH+](CC)CCS(=O)(=O)N[C@H](C)c1ccc(OCC(F)(F)F)cc1 ZINC000580131572 655508690 /nfs/dbraw/zinc/50/86/90/655508690.db2.gz XEBOPNBQGRJWAI-CYBMUJFWSA-N 1 0 382.448 2.950 20 0 GFADRO [NH3+][C@H]1C[C@@H](CNS(=O)(=O)c2c(Cl)cc(Br)cc2Cl)C1 ZINC000715076059 655522933 /nfs/dbraw/zinc/52/29/33/655522933.db2.gz FZVRKYAIWOFMOI-WRXNHJIOSA-N 1 0 388.114 2.772 20 0 GFADRO C[C@H](C[NH2+]Cc1ncc(I)s1)CC1(C)OCCO1 ZINC000715996992 655523343 /nfs/dbraw/zinc/52/33/43/655523343.db2.gz IFXWLTPDXLGZCN-VIFPVBQESA-N 1 0 382.267 2.627 20 0 GFADRO COCC[N@@H+]1CCC[C@@H]1CNC(=S)NCc1cccc(C(F)(F)F)c1 ZINC000727703209 655548850 /nfs/dbraw/zinc/54/88/50/655548850.db2.gz NHLQCTFZELEVAJ-OAHLLOKOSA-N 1 0 375.460 2.780 20 0 GFADRO CC(C)CN(C1CC[NH+](C)CC1)S(=O)(=O)c1c(Cl)nc2sccn21 ZINC000728585666 655557415 /nfs/dbraw/zinc/55/74/15/655557415.db2.gz YBSPORUNKVCLMW-UHFFFAOYSA-N 1 0 390.962 2.790 20 0 GFADRO OC1CC[NH+](Cc2ccc(CNC(=S)NCc3cccs3)cc2)CC1 ZINC000729642041 655566248 /nfs/dbraw/zinc/56/62/48/655566248.db2.gz DRPVOJYHCZRZSY-UHFFFAOYSA-N 1 0 375.563 2.869 20 0 GFADRO Brc1ccc2c(c1)C=C(CNC[C@@H]1C[N@@H+]3CCC[C@@H]3CO1)CO2 ZINC000729683076 655566647 /nfs/dbraw/zinc/56/66/47/655566647.db2.gz BBZSDSPWDLEKIA-IAGOWNOFSA-N 1 0 379.298 2.678 20 0 GFADRO COC(=O)c1ccc(Cl)c(S(=O)(=O)NCC[N@H+]2[C@H](C)CCC[C@@H]2C)c1 ZINC000730815176 655578544 /nfs/dbraw/zinc/57/85/44/655578544.db2.gz SRULPKMAFBSUHE-BETUJISGSA-N 1 0 388.917 2.668 20 0 GFADRO Cc1n[nH]cc1S(=O)(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000732220246 655593213 /nfs/dbraw/zinc/59/32/13/655593213.db2.gz HBAVKRKKJXYLCK-UHFFFAOYSA-N 1 0 382.917 2.562 20 0 GFADRO CCCCCC[N@H+](C)CC(=O)N[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000732279504 655594392 /nfs/dbraw/zinc/59/43/92/655594392.db2.gz RIZUESQIPUAVCA-MRXNPFEDSA-N 1 0 384.318 2.604 20 0 GFADRO COC[C@H](C)NC(=S)N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000733903953 655623178 /nfs/dbraw/zinc/62/31/78/655623178.db2.gz IGYCFVWHVYWIMH-WFASDCNBSA-N 1 0 375.460 2.779 20 0 GFADRO C[N@@H+]1CCCN(CCCNC(=O)c2ccc(C3SCCS3)cc2)CC1 ZINC000733979382 655624954 /nfs/dbraw/zinc/62/49/54/655624954.db2.gz PSWHSTYRNZKQCQ-UHFFFAOYSA-N 1 0 379.595 2.923 20 0 GFADRO O=C(NCc1ccc(Br)cc1)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000734274836 655628671 /nfs/dbraw/zinc/62/86/71/655628671.db2.gz DRHJNHRAHQDMFK-KRWDZBQOSA-N 1 0 396.329 2.892 20 0 GFADRO C[N@H+](CCCO)C1CCN(C(=S)Nc2cccc(Br)c2)CC1 ZINC000734309285 655629126 /nfs/dbraw/zinc/62/91/26/655629126.db2.gz MIOQDJCUAMUNBV-UHFFFAOYSA-N 1 0 386.359 2.925 20 0 GFADRO CC[C@@H](NC(=S)N1CCN(C(=O)C[NH+](CC)CC)CC1)c1cccs1 ZINC000734378172 655630061 /nfs/dbraw/zinc/63/00/61/655630061.db2.gz NXUXGMXCCQHZDN-OAHLLOKOSA-N 1 0 382.599 2.560 20 0 GFADRO C[NH+]1CCN(CCCNC(=S)Nc2ccc(OC(F)F)c(Cl)c2)CC1 ZINC000735620967 655649927 /nfs/dbraw/zinc/64/99/27/655649927.db2.gz DNHQVYNJSKJTMT-UHFFFAOYSA-N 1 0 392.903 2.865 20 0 GFADRO COCC[N@H+](C)CCCNC(=S)N[C@@H](C)c1ccc(Br)cc1 ZINC000840714662 661177867 /nfs/dbraw/zinc/17/78/67/661177867.db2.gz XPSOSGCBNBORPM-ZDUSSCGKSA-N 1 0 388.375 2.943 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2cc(C(=O)OC)ccc2Cl)C[C@H]1C ZINC000740893884 655700532 /nfs/dbraw/zinc/70/05/32/655700532.db2.gz FMJUEKVANTUSFZ-OCCSQVGLSA-N 1 0 388.917 2.620 20 0 GFADRO Cc1ccc(C(=O)N2CCC23CC[NH+](C)CC3)cc1I ZINC000742186018 655711537 /nfs/dbraw/zinc/71/15/37/655711537.db2.gz QBWHATCRXPWHMQ-UHFFFAOYSA-N 1 0 384.261 2.910 20 0 GFADRO C[C@@H]1CCC[N@@H+]1CCNC(=O)c1ccc(I)c(F)c1 ZINC000742241723 655712789 /nfs/dbraw/zinc/71/27/89/655712789.db2.gz VRWZYNWGIVZDGX-SNVBAGLBSA-N 1 0 376.213 2.644 20 0 GFADRO COc1ccc2nc(Cl)ccc2c1S(=O)(=O)N(C)[C@@H]1CCC[N@H+](C)C1 ZINC000742308990 655715079 /nfs/dbraw/zinc/71/50/79/655715079.db2.gz OCTZGYUDCIKVCW-GFCCVEGCSA-N 1 0 383.901 2.612 20 0 GFADRO CC(C)[NH+]1CCC(N(C)C(=O)COc2ccc(C=O)cc2Br)CC1 ZINC000742513951 655718794 /nfs/dbraw/zinc/71/87/94/655718794.db2.gz ZRQBEUSDXXWOCT-UHFFFAOYSA-N 1 0 397.313 2.972 20 0 GFADRO C[NH+](C)CCn1ccc(NC(=O)NCc2ccc(Br)cc2F)n1 ZINC000743204514 655726869 /nfs/dbraw/zinc/72/68/69/655726869.db2.gz HVJVOUYDYXSUKX-UHFFFAOYSA-N 1 0 384.253 2.668 20 0 GFADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@@H]1CC[C@H]2SCCS[C@H]12 ZINC000840732585 661180518 /nfs/dbraw/zinc/18/05/18/661180518.db2.gz FHCZHLPHZQBEBJ-BPGGGUHBSA-N 1 0 389.384 2.969 20 0 GFADRO CC[C@@H]1C[C@H](C)C[N@@H+]1CN1C(=O)C(=O)N(c2ccc(Br)cc2)C1=O ZINC000744442391 655740156 /nfs/dbraw/zinc/74/01/56/655740156.db2.gz ZILUWSZMUBXEFL-WCQYABFASA-N 1 0 394.269 2.822 20 0 GFADRO CC(C)[NH+]1CCC(NC(=O)COC(=O)[C@@H]2SCCc3sccc32)CC1 ZINC000745636024 655753616 /nfs/dbraw/zinc/75/36/16/655753616.db2.gz AJOURUMWVPUOKJ-QGZVFWFLSA-N 1 0 382.551 2.611 20 0 GFADRO O=C(CCSc1ccc(Br)cc1)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000747229859 655774452 /nfs/dbraw/zinc/77/44/52/655774452.db2.gz MJROJCHWQPIHQS-GJZGRUSLSA-N 1 0 399.354 2.911 20 0 GFADRO CC[NH+](CC)[C@H](C)CNS(=O)(=O)c1cc(C(=O)OC)c(Cl)cc1Cl ZINC000747243059 655775006 /nfs/dbraw/zinc/77/50/06/655775006.db2.gz NAZBNVBNCDTGKO-SNVBAGLBSA-N 1 0 397.324 2.789 20 0 GFADRO C[NH+](C)CCn1cc(NC(=O)NCc2ccc(Br)cc2F)cn1 ZINC000747556802 655780033 /nfs/dbraw/zinc/78/00/33/655780033.db2.gz JWRXWIMGICRPJX-UHFFFAOYSA-N 1 0 384.253 2.668 20 0 GFADRO C[NH+](C)CCn1cc(NC(=O)NC[C@@H](O)c2ccc(Cl)cc2Cl)cn1 ZINC000747555994 655780117 /nfs/dbraw/zinc/78/01/17/655780117.db2.gz FSSUUHRXMANVDN-OAHLLOKOSA-N 1 0 386.283 2.607 20 0 GFADRO C[NH+](C)CCCCCOC(=O)c1ccc(N2CCCS2(=O)=O)cc1Cl ZINC000747762655 655783045 /nfs/dbraw/zinc/78/30/45/655783045.db2.gz HBVBZPDNZOCPFB-UHFFFAOYSA-N 1 0 388.917 2.769 20 0 GFADRO C[NH+]1CCC2(CCN2C(=O)c2cnn(-c3ccc(Br)cc3)c2)CC1 ZINC000747978212 655785938 /nfs/dbraw/zinc/78/59/38/655785938.db2.gz GOSJFDRLYUPSCL-UHFFFAOYSA-N 1 0 389.297 2.945 20 0 GFADRO C[C@@H](NC(=O)c1cn(-c2ccccc2Br)nn1)C(C)(C)C[NH+](C)C ZINC000748327910 655789745 /nfs/dbraw/zinc/78/97/45/655789745.db2.gz VGNVERAYZWJTKK-GFCCVEGCSA-N 1 0 394.317 2.736 20 0 GFADRO CC(C)(C)O[C@H]1C[C@@H]([NH2+]C2CCN(S(=O)(=O)C(F)(F)F)CC2)C1(C)C ZINC000840725794 661178864 /nfs/dbraw/zinc/17/88/64/661178864.db2.gz VUWFZOPIIVQAOA-OLZOCXBDSA-N 1 0 386.480 2.872 20 0 GFADRO COCC[N@@H+]1CC[C@H](NC(=S)N[C@H](C)c2ccc(Br)cc2)C1 ZINC000840724810 661179218 /nfs/dbraw/zinc/17/92/18/661179218.db2.gz BRQBFRWHPAHFFH-DOMZBBRYSA-N 1 0 386.359 2.695 20 0 GFADRO O=c1oc2ccc(Br)cc2n1CN1CC[NH+](C2CCCC2)CC1 ZINC000749940960 655809206 /nfs/dbraw/zinc/80/92/06/655809206.db2.gz MJAGFWHUJZOYFA-UHFFFAOYSA-N 1 0 380.286 2.875 20 0 GFADRO C[C@H]([NH2+]CC(C)(C)[C@H]1COCC12OCCO2)c1ncc(Br)s1 ZINC000840799741 661189471 /nfs/dbraw/zinc/18/94/71/661189471.db2.gz WFJVBNQMZVXMJK-WDEREUQCSA-N 1 0 391.331 2.972 20 0 GFADRO O=C(COC(=O)[C@@H]1CCCS1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000750903384 655818628 /nfs/dbraw/zinc/81/86/28/655818628.db2.gz MQCZDJCRAULQPS-INIZCTEOSA-N 1 0 380.535 2.613 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CNC(=S)Nc1cc(N(C)C)c(Br)cn1 ZINC000840815918 661191280 /nfs/dbraw/zinc/19/12/80/661191280.db2.gz IHZAVIGSXBLJRM-LLVKDONJSA-N 1 0 386.363 2.681 20 0 GFADRO C[C@@H]1C[NH+](CN2C(=O)N[C@](C)(c3ccc(Br)cc3)C2=O)C[C@H]1C ZINC000751924645 655836165 /nfs/dbraw/zinc/83/61/65/655836165.db2.gz CMHQYLCVYZZDIE-PSTGCABASA-N 1 0 380.286 2.761 20 0 GFADRO C[NH+](C)CC(C)(C)CNC(=S)NC[C@H](O)c1ccccc1Br ZINC000840834034 661193792 /nfs/dbraw/zinc/19/37/92/661193792.db2.gz VFWDNPAOFPGREW-AWEZNQCLSA-N 1 0 388.375 2.534 20 0 GFADRO O=S(=O)(C(F)F)N1CCC(C[NH2+][C@@H]2CCc3c2cc(F)cc3F)CC1 ZINC000752787818 655846745 /nfs/dbraw/zinc/84/67/45/655846745.db2.gz BRMWANCFCRRMEU-OAHLLOKOSA-N 1 0 380.407 2.806 20 0 GFADRO Cn1c(C(=O)NCCOCC[NH+](C)C)ccc1-c1ccccc1Br ZINC000753431933 655854413 /nfs/dbraw/zinc/85/44/13/655854413.db2.gz FRLPKVBJISLCEF-UHFFFAOYSA-N 1 0 394.313 2.763 20 0 GFADRO Cc1ccc([C@@H](C)[NH2+]CC(=O)Nc2cc(-n3cnnn3)ccc2Cl)s1 ZINC000754668833 655871129 /nfs/dbraw/zinc/87/11/29/655871129.db2.gz GHPLRFBHPZHATO-LLVKDONJSA-N 1 0 376.873 2.975 20 0 GFADRO C[C@H]([NH2+]CC1(CS(C)(=O)=O)CCC1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000840888748 661198985 /nfs/dbraw/zinc/19/89/85/661198985.db2.gz CFJKJPFKKCRKRZ-LBPRGKRZSA-N 1 0 395.493 2.548 20 0 GFADRO Cc1ccc(C(=O)NCC2([NH+](C)C)Cc3ccccc3C2)c(Br)n1 ZINC000755920338 655891319 /nfs/dbraw/zinc/89/13/19/655891319.db2.gz FGVSLBUZBRTPGV-UHFFFAOYSA-N 1 0 388.309 2.982 20 0 GFADRO CC[NH+]1CCN(c2ccc(NC(=O)NC[C@H]3CSCCS3)cc2)CC1 ZINC000756068631 655894326 /nfs/dbraw/zinc/89/43/26/655894326.db2.gz VORHJOZMHBYVOI-KRWDZBQOSA-N 1 0 380.583 2.799 20 0 GFADRO COC(=O)c1cc(S(=O)(=O)NC[C@H](C)[N@@H+]2CCCC[C@H]2C)ccc1Cl ZINC000757485114 655912124 /nfs/dbraw/zinc/91/21/24/655912124.db2.gz GSHOXBPJCKRSCJ-OLZOCXBDSA-N 1 0 388.917 2.668 20 0 GFADRO Cn1nc(Br)cc1C(=O)NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000758057523 655922251 /nfs/dbraw/zinc/92/22/51/655922251.db2.gz QBHCXEZIDZLQNV-GOSISDBHSA-N 1 0 391.313 2.967 20 0 GFADRO Cc1n[nH]c(C(=O)N[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)c1Br ZINC000758202801 655925932 /nfs/dbraw/zinc/92/59/32/655925932.db2.gz PNQYRQLOUFWUCF-FZMZJTMJSA-N 1 0 377.286 2.873 20 0 GFADRO CN1CCC(CNC(=O)c2ccnc(Br)c2)([NH+]2CCCCC2)CC1 ZINC000758243784 655927278 /nfs/dbraw/zinc/92/72/78/655927278.db2.gz HQAIATIFHUZQNX-UHFFFAOYSA-N 1 0 395.345 2.524 20 0 GFADRO Cc1ncc(C(=O)OCC(=O)NC2CC[NH+](C3CC3)CC2)c(Cl)c1Cl ZINC000758507909 655934404 /nfs/dbraw/zinc/93/44/04/655934404.db2.gz SBRHHCDNDBXJPQ-UHFFFAOYSA-N 1 0 386.279 2.597 20 0 GFADRO COC(=O)c1ccc(Cl)c(S(=O)(=O)NCC2(C[NH+](C)C)CCCC2)c1 ZINC000759138686 655948740 /nfs/dbraw/zinc/94/87/40/655948740.db2.gz DECIPLQOKJQCSP-UHFFFAOYSA-N 1 0 388.917 2.527 20 0 GFADRO CC(C)OCC(=[NH2+])NOCc1nnc(-c2ccc(Br)s2)o1 ZINC000759758915 655962571 /nfs/dbraw/zinc/96/25/71/655962571.db2.gz HSGROBBBSGNOMJ-UHFFFAOYSA-N 1 0 375.248 2.984 20 0 GFADRO C[C@H](c1cccc(S(N)(=O)=O)c1)[N@H+](C)C[C@@H](O)c1ccc(Cl)c(F)c1 ZINC000759850520 655965162 /nfs/dbraw/zinc/96/51/62/655965162.db2.gz JGEMMBXEACUCGB-PIGZYNQJSA-N 1 0 386.876 2.853 20 0 GFADRO COCCS(=O)(=O)c1ccc(C[NH2+][C@@H]2CC[C@@H]3SCCS[C@H]23)cc1 ZINC000760030406 655967769 /nfs/dbraw/zinc/96/77/69/655967769.db2.gz RGGXVGKTUPTVBD-IXDOHACOSA-N 1 0 387.592 2.576 20 0 GFADRO CN(C)C(=O)CC[NH+]1CCN(Cn2c3cc(Cl)ccc3oc2=S)CC1 ZINC000760416368 655979996 /nfs/dbraw/zinc/97/99/96/655979996.db2.gz YARIPNSQPILNGJ-UHFFFAOYSA-N 1 0 382.917 2.671 20 0 GFADRO C[NH+]1CCC(CNC(=S)NCCc2ccccc2OC(F)(F)F)CC1 ZINC000760495337 655982474 /nfs/dbraw/zinc/98/24/74/655982474.db2.gz JITJAVVFXPCVKR-UHFFFAOYSA-N 1 0 375.460 2.934 20 0 GFADRO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]CCC[C@@H]1CCCCO1 ZINC000760648408 655988827 /nfs/dbraw/zinc/98/88/27/655988827.db2.gz ZBPXWRUQPTTZHO-GJZGRUSLSA-N 1 0 389.949 2.643 20 0 GFADRO C[N@H+](CC(=O)NCC[C@H](O)c1ccc(Cl)c(Cl)c1)[C@H]1CCSC1 ZINC000760689392 655989556 /nfs/dbraw/zinc/98/95/56/655989556.db2.gz CXYIKOCGWWCSTJ-WFASDCNBSA-N 1 0 377.337 2.970 20 0 GFADRO CC(C)[C@@H](CC[N@H+](C)CC[C@H]1CCS(=O)(=O)C1)NC(=O)OC(C)(C)C ZINC000760844482 655992962 /nfs/dbraw/zinc/99/29/62/655992962.db2.gz POFFQJQQBDFPNV-JKSUJKDBSA-N 1 0 376.563 2.682 20 0 GFADRO CC(C)S(=O)(=O)CC[NH2+]C1(c2cccc(Br)c2)CCOCC1 ZINC000760850500 655993209 /nfs/dbraw/zinc/99/32/09/655993209.db2.gz CFLDLGWQTFRWIK-UHFFFAOYSA-N 1 0 390.343 2.868 20 0 GFADRO C[C@@H]1C[C@@H](N2C(=O)N[C@](C)(c3cccc(Br)c3)C2=O)CC[N@@H+]1C ZINC000761286076 656007978 /nfs/dbraw/zinc/00/79/78/656007978.db2.gz ZBSXQDMAWORSIW-HYSWKAIVSA-N 1 0 380.286 2.699 20 0 GFADRO C[NH+](C)C1(CN2C(=O)CN(Cc3cccc(Br)c3)C2=O)CCC1 ZINC000761348106 656012854 /nfs/dbraw/zinc/01/28/54/656012854.db2.gz BNXMWLFJEIDACE-UHFFFAOYSA-N 1 0 380.286 2.698 20 0 GFADRO C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+]Cc1ccc(S(C)(=O)=O)s1 ZINC000840942234 661213717 /nfs/dbraw/zinc/21/37/17/661213717.db2.gz WGCSXIAHHCZXTD-JSGCOSHPSA-N 1 0 388.555 2.887 20 0 GFADRO C[C@H](CNC(=O)NCCOc1ncc(Cl)cc1Cl)[NH+]1CCCCC1 ZINC000762053097 656029442 /nfs/dbraw/zinc/02/94/42/656029442.db2.gz MSQLGYNWOZUHAC-GFCCVEGCSA-N 1 0 375.300 2.941 20 0 GFADRO C[N@@H+]1CC[C@H](CNC(=S)NC[C@H]2CCOC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000762464958 656043046 /nfs/dbraw/zinc/04/30/46/656043046.db2.gz WXIXEQFOJYQYTH-SUYBPPKGSA-N 1 0 385.936 2.973 20 0 GFADRO C[C@H]([NH2+][C@H]1CCC[C@@H](S(C)(=O)=O)C1)c1cc(Br)ncc1F ZINC000762762644 656058296 /nfs/dbraw/zinc/05/82/96/656058296.db2.gz MKTKCBOJSDMDHJ-GARJFASQSA-N 1 0 379.295 2.990 20 0 GFADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)Nc1ccc(Cl)cc1OC(F)F ZINC000762956033 656066535 /nfs/dbraw/zinc/06/65/35/656066535.db2.gz RVGFTVLCTCBGLG-NWDGAFQWSA-N 1 0 375.803 2.926 20 0 GFADRO C[C@H](NC(=O)C1([NH+](C)C)CCC1)c1cc2c(cc1Br)OCCO2 ZINC000763025184 656068775 /nfs/dbraw/zinc/06/87/75/656068775.db2.gz QUTYXWZFJKYBSO-NSHDSACASA-N 1 0 383.286 2.882 20 0 GFADRO C[C@H](C[C@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]CCC(C)(C)S(C)(=O)=O ZINC000840960021 661219723 /nfs/dbraw/zinc/21/97/23/661219723.db2.gz BQSSMASWTOJWSK-HUUCEWRRSA-N 1 0 376.563 2.967 20 0 GFADRO CCCN(CC[NH+](CC)CC)C(=O)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000763767903 656093065 /nfs/dbraw/zinc/09/30/65/656093065.db2.gz NOQSQWJRFQESDG-UHFFFAOYSA-N 1 0 376.469 2.877 20 0 GFADRO CCn1ncc(C[NH2+]C2CCN(Cc3cccc(Br)c3)CC2)n1 ZINC000840976212 661224105 /nfs/dbraw/zinc/22/41/05/661224105.db2.gz BSTBQLZMQSKSTB-UHFFFAOYSA-N 1 0 378.318 2.815 20 0 GFADRO CCCN(CC[NH+](CC)CC)C(=O)c1cccnc1I ZINC000764481192 656111694 /nfs/dbraw/zinc/11/16/94/656111694.db2.gz OCQUUPQWVGBTGO-UHFFFAOYSA-N 1 0 389.281 2.880 20 0 GFADRO C[C@H]1CCN(C(=O)Nc2cc3c(cc2Br)OCCO3)C[C@H]1C[NH3+] ZINC000841015972 661227659 /nfs/dbraw/zinc/22/76/59/661227659.db2.gz QBEHTTKXPRTRDJ-WDEREUQCSA-N 1 0 384.274 2.669 20 0 GFADRO [NH3+]C[C@@H](NC(=O)Nc1cc2c(cc1Br)OCCO2)C1CCCC1 ZINC000841016026 661227874 /nfs/dbraw/zinc/22/78/74/661227874.db2.gz QTAZPELMKCATIF-CYBMUJFWSA-N 1 0 384.274 2.859 20 0 GFADRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NS(=O)(=O)/C=C/c1ccccc1Br ZINC000765209807 656137249 /nfs/dbraw/zinc/13/72/49/656137249.db2.gz VJGGKHRJGLGGKT-GNADWWNHSA-N 1 0 385.327 2.822 20 0 GFADRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NS(=O)(=O)/C=C\c1ccccc1Br ZINC000765209810 656137280 /nfs/dbraw/zinc/13/72/80/656137280.db2.gz VJGGKHRJGLGGKT-KESKLVDESA-N 1 0 385.327 2.822 20 0 GFADRO COCCC[NH+]1CCC(NC(=O)N2Cc3ccc(Br)cc3C2)CC1 ZINC000765264102 656138981 /nfs/dbraw/zinc/13/89/81/656138981.db2.gz FIBKUKUQWNYIRP-UHFFFAOYSA-N 1 0 396.329 2.975 20 0 GFADRO O=C(Nc1cccc(C2SCCS2)c1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000841020081 661228651 /nfs/dbraw/zinc/22/86/51/661228651.db2.gz JGHPXHUVBIVWGY-INIZCTEOSA-N 1 0 378.567 2.677 20 0 GFADRO COC(=O)[C@H](c1cccc(Br)c1)N(C)C(=O)CCCC[NH+](C)C ZINC000767126053 656194864 /nfs/dbraw/zinc/19/48/64/656194864.db2.gz PAONIIPIWJWFLX-INIZCTEOSA-N 1 0 385.302 2.854 20 0 GFADRO [NH3+]C1(CNC(=O)Nc2cnc(Br)c(Br)c2)CCC1 ZINC000841141786 661237113 /nfs/dbraw/zinc/23/71/13/661237113.db2.gz KROZGZGORIEAIJ-UHFFFAOYSA-N 1 0 378.068 2.610 20 0 GFADRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)Nc1cnc(Br)c(Br)c1 ZINC000841143448 661238195 /nfs/dbraw/zinc/23/81/95/661238195.db2.gz ZFNYYRSKTYYJCC-XVKPBYJWSA-N 1 0 392.095 2.726 20 0 GFADRO COCC[N@H+](C)CCCNC(=O)Nc1cnc(Cl)c(Br)c1 ZINC000767904807 656226223 /nfs/dbraw/zinc/22/62/23/656226223.db2.gz ARBSSCNGPZBXHV-UHFFFAOYSA-N 1 0 379.686 2.587 20 0 GFADRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2Cn2nnn(-c3ccc(Cl)cc3)c2=S)C1 ZINC000768501788 656240160 /nfs/dbraw/zinc/24/01/60/656240160.db2.gz JUZINUZNWBSMEX-CZUORRHYSA-N 1 0 378.933 2.825 20 0 GFADRO C[N@@H+]1CC[C@H]2[C@H](CCCN2Cn2nnn(-c3ccc(Cl)cc3)c2=S)C1 ZINC000768501786 656240216 /nfs/dbraw/zinc/24/02/16/656240216.db2.gz JUZINUZNWBSMEX-CJNGLKHVSA-N 1 0 378.933 2.825 20 0 GFADRO O=C(NCC[C@@H]1CC[NH2+]C1)C(=O)Nc1ccc2cc(Br)ccc2c1 ZINC000841169518 661240957 /nfs/dbraw/zinc/24/09/57/661240957.db2.gz MLENVDFBBSGHSD-LBPRGKRZSA-N 1 0 390.281 2.657 20 0 GFADRO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)Nc2cccc(Cl)c2SC(F)F)C1 ZINC000841170799 661241240 /nfs/dbraw/zinc/24/12/40/661241240.db2.gz JBFVUSBYDNYVAS-VIFPVBQESA-N 1 0 377.844 2.661 20 0 GFADRO Cc1cccc(NC(=O)C(=O)NC[C@H](C)[NH+]2CCCCC2)c1Br ZINC000769264226 656268763 /nfs/dbraw/zinc/26/87/63/656268763.db2.gz ZOUVLRSJRCQTRG-ZDUSSCGKSA-N 1 0 382.302 2.687 20 0 GFADRO OCCCC[NH+]1CCN(Cc2cnn(-c3ccc(Br)cc3)c2)CC1 ZINC000769394163 656273553 /nfs/dbraw/zinc/27/35/53/656273553.db2.gz JJXCXOQBZKVVJP-UHFFFAOYSA-N 1 0 393.329 2.525 20 0 GFADRO C[C@H]1C[C@@H](NC(=O)C(=O)Nc2cccc(Cl)c2SC(F)F)CC[NH2+]1 ZINC000841230164 661246236 /nfs/dbraw/zinc/24/62/36/661246236.db2.gz LTOLOTLPXOUVPJ-IUCAKERBSA-N 1 0 377.844 2.850 20 0 GFADRO C[NH+](C)CCCCCOC(=O)c1ccc(S(C)(=O)=O)c(Br)c1 ZINC000770143635 656308100 /nfs/dbraw/zinc/30/81/00/656308100.db2.gz FYJMADAPYRNVPY-UHFFFAOYSA-N 1 0 392.315 2.741 20 0 GFADRO CC(C)[C@H](C[NH+](C)C)NC(=O)c1cc(=O)c2cc(Br)ccc2o1 ZINC000841397165 661259732 /nfs/dbraw/zinc/25/97/32/661259732.db2.gz WTYFZTVUQNAYQY-ZDUSSCGKSA-N 1 0 381.270 2.872 20 0 GFADRO O=C(NCCCN1CC[NH+](Cc2ccccc2)CC1)C1SCCCS1 ZINC000841379553 661256575 /nfs/dbraw/zinc/25/65/75/661256575.db2.gz PLCXLYQIAZRECZ-UHFFFAOYSA-N 1 0 379.595 2.507 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)c2cc(=O)c3cc(Br)ccc3o2)CC[N@@H+]1C ZINC000841397669 661260027 /nfs/dbraw/zinc/26/00/27/661260027.db2.gz QGACYFKHBMJRQG-PWSUYJOCSA-N 1 0 379.254 2.768 20 0 GFADRO CCS(=O)(=O)c1ccc(Cl)c(C(=O)NCC2CC[NH+](C3CC3)CC2)c1 ZINC000772911144 656393268 /nfs/dbraw/zinc/39/32/68/656393268.db2.gz TVHQBKWYIZGFKG-UHFFFAOYSA-N 1 0 384.929 2.738 20 0 GFADRO C[C@H]([NH2+][C@H]1CCC[C@H](S(C)(=O)=O)C1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000773014779 656397218 /nfs/dbraw/zinc/39/72/18/656397218.db2.gz LCAQVJYAIXUCIF-WHOFXGATSA-N 1 0 395.493 2.689 20 0 GFADRO C[C@@H](C[C@H]1CCOC1)[NH2+]CCOc1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000773128090 656400631 /nfs/dbraw/zinc/40/06/31/656400631.db2.gz ADOREUBTHBAGSB-QWHCGFSZSA-N 1 0 381.416 2.764 20 0 GFADRO C[NH+](C)[C@H](CC(=O)N1CCn2c(Br)cnc2C1)c1ccccc1 ZINC000841431261 661264384 /nfs/dbraw/zinc/26/43/84/661264384.db2.gz RDYYSYXDANDMHI-CQSZACIVSA-N 1 0 377.286 2.681 20 0 GFADRO O=CN1CCC([NH2+]CCSCCOc2cccc(Br)c2)CC1 ZINC000774182788 656500538 /nfs/dbraw/zinc/50/05/38/656500538.db2.gz JNEWCCGKWFOCRO-UHFFFAOYSA-N 1 0 387.343 2.772 20 0 GFADRO CC1(C)CCC[N@H+](CCNC(=O)c2cccnc2I)C1 ZINC000774578221 656538813 /nfs/dbraw/zinc/53/88/13/656538813.db2.gz UGYZUTRECJHTKS-UHFFFAOYSA-N 1 0 387.265 2.538 20 0 GFADRO Cc1cc(Br)cc(C[NH2+][C@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)c1 ZINC000775003591 656584333 /nfs/dbraw/zinc/58/43/33/656584333.db2.gz XHIZKKJXIXQHEV-LRDDRELGSA-N 1 0 377.286 2.775 20 0 GFADRO O=C(c1ccc(C[NH2+][C@@H]2CC[C@@H]3SCCS[C@@H]23)cc1)N1CCOCC1 ZINC000775382233 656635591 /nfs/dbraw/zinc/63/55/91/656635591.db2.gz GQZXHFHEMSOZRL-SQNIBIBYSA-N 1 0 378.563 2.628 20 0 GFADRO COc1cc(C[C@H](CO)C[NH2+][C@@H]2CC[C@H]3SCCS[C@H]23)cc(OC)c1 ZINC000775396673 656637266 /nfs/dbraw/zinc/63/72/66/656637266.db2.gz QZGSCPRJDRBWIB-JEDBISTDSA-N 1 0 383.579 2.824 20 0 GFADRO O=C1C[C@H]([NH2+][C@@H]2CC[C@@H]3SCCS[C@@H]23)CN1CCOc1ccccc1 ZINC000775410270 656638027 /nfs/dbraw/zinc/63/80/27/656638027.db2.gz IKTHWYHFDMFUMW-RUENVJTFSA-N 1 0 378.563 2.636 20 0 GFADRO COCCN(CC[NH2+][C@@H]1CC[C@H]2SCCS[C@H]12)C(=O)OC(C)(C)C ZINC000775421663 656638089 /nfs/dbraw/zinc/63/80/89/656638089.db2.gz IRRGMRNGCLELFP-RBSFLKMASA-N 1 0 376.588 2.839 20 0 GFADRO C[C@H]([NH2+]CCCCCS(C)(=O)=O)[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000775586727 656651050 /nfs/dbraw/zinc/65/10/50/656651050.db2.gz PJNFWNZCVMCWIL-HOTGVXAUSA-N 1 0 376.563 2.969 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)C[C@H]1C ZINC000775710239 656670499 /nfs/dbraw/zinc/67/04/99/656670499.db2.gz KMFDRLCEZPKAHG-BDAKNGLRSA-N 1 0 386.386 2.875 20 0 GFADRO C[C@H]1CN(C(=O)C[NH2+][C@@H](c2cc(F)cc(Br)c2)C2CC2)CCO1 ZINC000775876550 656687760 /nfs/dbraw/zinc/68/77/60/656687760.db2.gz YURMDZVURMVHQG-APPDUMDISA-N 1 0 385.277 2.876 20 0 GFADRO Cc1cnc(Br)cc1NC(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000776052194 656708919 /nfs/dbraw/zinc/70/89/19/656708919.db2.gz GDYYPXTUCTZEKX-LSDHHAIUSA-N 1 0 397.317 2.652 20 0 GFADRO Cc1nn(C)c(Cl)c1S(=O)(=O)N(C)C(C)(C)C[NH+]1CCCCCC1 ZINC000778099025 656862830 /nfs/dbraw/zinc/86/28/30/656862830.db2.gz ZCGOKYIFUWBBEO-UHFFFAOYSA-N 1 0 376.954 2.657 20 0 GFADRO CCS(=O)(=O)c1ccc(Cl)c(C(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)c1 ZINC000778408879 656880474 /nfs/dbraw/zinc/88/04/74/656880474.db2.gz XTFPFESDTQCZCL-ZDUSSCGKSA-N 1 0 386.945 2.936 20 0 GFADRO Cc1cc(Br)ccc1CC(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000778751652 656889918 /nfs/dbraw/zinc/88/99/18/656889918.db2.gz FJJHMASNEPHEIU-GOSISDBHSA-N 1 0 394.357 2.538 20 0 GFADRO CC(C)[C@H]([NH2+]C1CCN(S(=O)(=O)C(F)(F)F)CC1)c1ccc(F)cn1 ZINC000779407408 656924449 /nfs/dbraw/zinc/92/44/49/656924449.db2.gz XMJMYCBCTAGHLI-AWEZNQCLSA-N 1 0 383.411 2.821 20 0 GFADRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cn(C(C)(C)C)nc2Br)C1 ZINC000779989049 656974782 /nfs/dbraw/zinc/97/47/82/656974782.db2.gz SQOJLURWHPBWAR-TZMCWYRMSA-N 1 0 383.334 2.957 20 0 GFADRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=S)Nc1ccc(Br)cc1 ZINC000780208271 656991550 /nfs/dbraw/zinc/99/15/50/656991550.db2.gz LVUAZPWWXXYALL-LBPRGKRZSA-N 1 0 386.359 2.923 20 0 GFADRO COc1ccc(C(=O)N[C@@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)nc1Br ZINC000781951664 657092149 /nfs/dbraw/zinc/09/21/49/657092149.db2.gz ZWINWRRQEPFGGQ-XQQFMLRXSA-N 1 0 384.318 2.949 20 0 GFADRO Cn1nc(C(F)(F)F)c(CN2CCC(C[NH+]3CCOCC3)CC2)c1Cl ZINC000782152151 657107199 /nfs/dbraw/zinc/10/71/99/657107199.db2.gz GMJRRJZPHDJLIH-UHFFFAOYSA-N 1 0 380.842 2.637 20 0 GFADRO CC[NH+]1CCC(NC(=O)c2cnn(-c3ccccc3)c2Br)CC1 ZINC000782163495 657108535 /nfs/dbraw/zinc/10/85/35/657108535.db2.gz DTAWNLUIFABNTP-UHFFFAOYSA-N 1 0 377.286 2.849 20 0 GFADRO CN(CC[N@H+](C)C1CCN(C)CC1)Cc1c(Cl)n(C)nc1C(F)(F)F ZINC000782486923 657149998 /nfs/dbraw/zinc/14/99/98/657149998.db2.gz QFNORBPASNPDCW-UHFFFAOYSA-N 1 0 381.874 2.550 20 0 GFADRO CC(C)(C)OC(=O)N1CC([NH2+]CCC(=O)Nc2ccc(Br)cc2)C1 ZINC000783608292 657245898 /nfs/dbraw/zinc/24/58/98/657245898.db2.gz IEJHUQCZFZNQSZ-UHFFFAOYSA-N 1 0 398.301 2.987 20 0 GFADRO CN(CC1([NH+](C)C)CCC1)C(=O)COc1ccc(C=O)cc1Br ZINC000783867551 657266607 /nfs/dbraw/zinc/26/66/07/657266607.db2.gz YTYATHZHWDZQMP-UHFFFAOYSA-N 1 0 383.286 2.583 20 0 GFADRO COc1cc(Br)ccc1CCC[NH+]1CCC2(COC(=O)N2)CC1 ZINC000784462707 657310527 /nfs/dbraw/zinc/31/05/27/657310527.db2.gz YLYKJMAGSCIWIO-UHFFFAOYSA-N 1 0 383.286 2.965 20 0 GFADRO COC(=O)c1ccc(Cl)c(S(=O)(=O)N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)c1 ZINC000784722056 657323721 /nfs/dbraw/zinc/32/37/21/657323721.db2.gz VZMOCXHSXBYRMP-QWHCGFSZSA-N 1 0 388.917 2.525 20 0 GFADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)/C=C\c1ccc(Br)o1 ZINC000785809651 657387214 /nfs/dbraw/zinc/38/72/14/657387214.db2.gz RABLFPVKNLPCSX-DXTPNHAXSA-N 1 0 383.286 2.767 20 0 GFADRO Cc1nn(Cc2ccc(Cl)cc2Cl)c(Cl)c1C[NH2+]C[C@@H](O)CO ZINC000785981238 657398996 /nfs/dbraw/zinc/39/89/96/657398996.db2.gz RAXAHHYZYQISDT-GFCCVEGCSA-N 1 0 378.687 2.643 20 0 GFADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)Nc1cc(Br)c(F)cc1F ZINC000786167631 657412421 /nfs/dbraw/zinc/41/24/21/657412421.db2.gz IUVINWCLHVSXAW-VHSXEESVSA-N 1 0 390.228 2.712 20 0 GFADRO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)NCC[N@@H+]1CCC[C@@H]1C ZINC000786869023 657477421 /nfs/dbraw/zinc/47/74/21/657477421.db2.gz QPESVHXJUJVVKY-KBPBESRZSA-N 1 0 390.933 2.516 20 0 GFADRO C[N@H+](CCCO)C1CCN(C(=O)c2ccc(OC(F)(F)Cl)cc2)CC1 ZINC000787472956 657558452 /nfs/dbraw/zinc/55/84/52/657558452.db2.gz CPAACVIVPKQJKM-UHFFFAOYSA-N 1 0 376.831 2.773 20 0 GFADRO O=C(/C=C\c1ccc(I)o1)OCCC[NH+]1CCCC1 ZINC000787972715 657629378 /nfs/dbraw/zinc/62/93/78/657629378.db2.gz QCBLRRAKQLIVIB-ALCCZGGFSA-N 1 0 375.206 2.927 20 0 GFADRO COc1cc(C(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)cnc1Br ZINC000788136031 657656824 /nfs/dbraw/zinc/65/68/24/657656824.db2.gz RQXYRNIPJULKAU-OAHLLOKOSA-N 1 0 392.297 2.755 20 0 GFADRO C[NH+](C)CCN(C(=O)c1nc(Br)ccc1Br)C1CC1 ZINC000788147802 657659760 /nfs/dbraw/zinc/65/97/60/657659760.db2.gz ILDXBTPFPGMBHX-UHFFFAOYSA-N 1 0 391.107 2.773 20 0 GFADRO COc1cc(C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)cnc1Br ZINC000788151678 657660635 /nfs/dbraw/zinc/66/06/35/657660635.db2.gz PLJAZTNDNHLCJS-LBPRGKRZSA-N 1 0 384.299 2.947 20 0 GFADRO COc1ccc([C@H](CNC(=O)c2cc(Br)n[nH]2)[NH+]2CCCC2)cc1 ZINC000788261231 657685359 /nfs/dbraw/zinc/68/53/59/657685359.db2.gz LEJALHHZLZCZSL-HNNXBMFYSA-N 1 0 393.285 2.748 20 0 GFADRO O=S(=O)(C(F)F)N1CCC(C[NH2+][C@@H]2CCc3ccc(Cl)nc32)CC1 ZINC000788639432 657759180 /nfs/dbraw/zinc/75/91/80/657759180.db2.gz OCVSYSWVMFJYIT-GFCCVEGCSA-N 1 0 379.860 2.576 20 0 GFADRO C[NH+](C)Cc1ccc(S(=O)(=O)NC[C@@](C)(O)c2cccc(Cl)c2)cc1 ZINC000788670007 657769335 /nfs/dbraw/zinc/76/93/35/657769335.db2.gz RNOMRJRNRLRBLJ-GOSISDBHSA-N 1 0 382.913 2.588 20 0 GFADRO CC[N@H+](CCNS(=O)(=O)c1sc(C(=O)OC)c(Cl)c1C)C(C)C ZINC000788677758 657770887 /nfs/dbraw/zinc/77/08/87/657770887.db2.gz XPBOBBIORZPKDV-UHFFFAOYSA-N 1 0 382.935 2.505 20 0 GFADRO Cc1cc(Br)ncc1OS(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000788677914 657771130 /nfs/dbraw/zinc/77/11/30/657771130.db2.gz ZUKKADGAMDNNSK-UHFFFAOYSA-N 1 0 385.283 2.982 20 0 GFADRO C[NH+](C)CCCNC(=S)Nc1ccc2c(c1)N(CC(F)F)C(=O)CS2 ZINC000789343562 657839774 /nfs/dbraw/zinc/83/97/74/657839774.db2.gz PKIMBPBHVXZFAP-UHFFFAOYSA-N 1 0 388.509 2.629 20 0 GFADRO COc1nc(Br)ccc1NC(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000789380164 657845112 /nfs/dbraw/zinc/84/51/12/657845112.db2.gz SGVHHYRIMYETLY-GFCCVEGCSA-N 1 0 383.290 2.945 20 0 GFADRO COc1nc(Br)ccc1NC(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000789381090 657845723 /nfs/dbraw/zinc/84/57/23/657845723.db2.gz JZVNOTSLGXATFK-GFCCVEGCSA-N 1 0 383.290 2.802 20 0 GFADRO CCc1[nH]nc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)c1Br ZINC000789875174 657895558 /nfs/dbraw/zinc/89/55/58/657895558.db2.gz SAGLRSVKVOHOIE-UHFFFAOYSA-N 1 0 392.301 2.739 20 0 GFADRO COC(=O)c1c2cnn(C[N@@H+]3CC[C@@H](C)[C@H](OC)C3)c2ccc1Br ZINC000790441072 657978134 /nfs/dbraw/zinc/97/81/34/657978134.db2.gz BEEXZDLYZVCNNS-IAQYHMDHSA-N 1 0 396.285 2.900 20 0 GFADRO COC[C@H]1CC[N@H+](Cn2ncc3c2ccc(Br)c3C(=O)OC)C1 ZINC000790442815 657979136 /nfs/dbraw/zinc/97/91/36/657979136.db2.gz FJCIWTZWTWYLCH-NSHDSACASA-N 1 0 382.258 2.511 20 0 GFADRO COCCC[NH+]1CCC(NC(=O)N2CC[C@]3(C)[C@H](C2)C3(Cl)Cl)CC1 ZINC000790730607 658016408 /nfs/dbraw/zinc/01/64/08/658016408.db2.gz ANXVNUMBTBKAMA-GOEBONIOSA-N 1 0 378.344 2.713 20 0 GFADRO Cc1cc(F)c(Br)cc1S(=O)(=O)NCC[N@H+]1CCC[C@@H]1C ZINC000790876554 658039127 /nfs/dbraw/zinc/03/91/27/658039127.db2.gz MXGIUYRQHJGCGV-NSHDSACASA-N 1 0 379.295 2.659 20 0 GFADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1CNc1cc[nH+]c(C)c1Cl ZINC000792689606 658310621 /nfs/dbraw/zinc/31/06/21/658310621.db2.gz UYSZBKXNRCLSJT-LLVKDONJSA-N 1 0 389.308 2.595 20 0 GFADRO C[C@H](CCc1ccc(I)cc1)[NH2+]C[C@H](O)c1cnn(C)c1 ZINC000793003172 658344465 /nfs/dbraw/zinc/34/44/65/658344465.db2.gz DEKZLDMSDWYJOO-WBMJQRKESA-N 1 0 399.276 2.669 20 0 GFADRO NC(=O)[C@H]([NH2+][C@@H]1CC[C@@H]2SCCS[C@@H]12)c1cccc(Br)c1 ZINC000793267769 658378992 /nfs/dbraw/zinc/37/89/92/658378992.db2.gz WCRCDLZWEVHBOX-RQJABVFESA-N 1 0 387.368 2.945 20 0 GFADRO CSC1(CNC(=O)[C@H](O)c2cccc(C(F)(F)F)c2)CC[NH+](C)CC1 ZINC000793362620 658390408 /nfs/dbraw/zinc/39/04/08/658390408.db2.gz AXQDWTACIVKPEV-CQSZACIVSA-N 1 0 376.444 2.682 20 0 GFADRO COC(=O)[C@@H](Cc1ccccc1)[C@@H](C)[NH2+]Cc1cc(Br)nn1C ZINC000793607445 658414602 /nfs/dbraw/zinc/41/46/02/658414602.db2.gz DRNGFZTUYKHIDE-DOMZBBRYSA-N 1 0 380.286 2.693 20 0 GFADRO CSc1nc2ccc(NC(=O)N3CC[N@H+](C[C@H](C)O)C[C@H]3C)cc2s1 ZINC000793980904 658468177 /nfs/dbraw/zinc/46/81/77/658468177.db2.gz DMKQJEAFEHYVGI-NEPJUHHUSA-N 1 0 380.539 2.937 20 0 GFADRO Cc1ccc(NC(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)nc1Br ZINC000794358446 658526354 /nfs/dbraw/zinc/52/63/54/658526354.db2.gz CAQXVSMPIQUFAV-UONOGXRCSA-N 1 0 397.317 2.652 20 0 GFADRO C[N@@H+]1CCC[C@H]2CN(CN3Cc4cccc(Br)c4C3=O)CC[C@@H]21 ZINC000795435017 658818527 /nfs/dbraw/zinc/81/85/27/658818527.db2.gz JRCBPEALPRFICC-BBRMVZONSA-N 1 0 378.314 2.779 20 0 GFADRO CN(C[C@@H]1CCC[N@H+](Cn2ccc(=S)c3ccccc32)C1)S(C)(=O)=O ZINC000795649959 658839432 /nfs/dbraw/zinc/83/94/32/658839432.db2.gz DZYVRDSIIBLOKL-HNNXBMFYSA-N 1 0 379.551 2.932 20 0 GFADRO CCOC(=O)c1nn(C[N@H+](C)C[C@H](C)OC)c2ccc(Br)cc12 ZINC000795750043 658846655 /nfs/dbraw/zinc/84/66/55/658846655.db2.gz RIUAFJVRNZWVFK-NSHDSACASA-N 1 0 384.274 2.900 20 0 GFADRO COC(=O)N1CCC(C[NH2+]Cc2cnc3ccc(Br)cn23)CC1 ZINC000796510315 658920638 /nfs/dbraw/zinc/92/06/38/658920638.db2.gz MEUOPZUVIZIDDU-UHFFFAOYSA-N 1 0 381.274 2.665 20 0 GFADRO C[C@H](NC(=O)C[NH2+]C(C)(C)C(=O)N1CCCC1)c1ccc(Br)cc1 ZINC000796586106 658925197 /nfs/dbraw/zinc/92/51/97/658925197.db2.gz XDAXAILCFKNYGI-ZDUSSCGKSA-N 1 0 396.329 2.617 20 0 GFADRO CNC(=O)C[C@@H]([NH2+]C[C@H](O)c1ccc(Br)cc1)c1ccccc1 ZINC000796615128 658927918 /nfs/dbraw/zinc/92/79/18/658927918.db2.gz YXZUISIOARPQPT-SJORKVTESA-N 1 0 377.282 2.950 20 0 GFADRO C[C@@H]([NH2+]CCn1cc(Br)cn1)c1ccc(N2CCNC2=O)cc1 ZINC000797115498 658982364 /nfs/dbraw/zinc/98/23/64/658982364.db2.gz DRTLPQNVKBRJRK-GFCCVEGCSA-N 1 0 378.274 2.526 20 0 GFADRO CC(C)S(=O)(=O)CCC[N@@H+]1CCC[C@H](CCNC(=O)OC(C)(C)C)C1 ZINC000799362611 659184471 /nfs/dbraw/zinc/18/44/71/659184471.db2.gz RQPYTODGTDDKRM-MRXNPFEDSA-N 1 0 376.563 2.827 20 0 GFADRO C[C@H](CNC(=O)NC[C@H](O)c1cccc(Br)c1)[NH+]1CCCCC1 ZINC000799938458 659247775 /nfs/dbraw/zinc/24/77/75/659247775.db2.gz CQPGZCXEAKKMKL-CJNGLKHVSA-N 1 0 384.318 2.656 20 0 GFADRO C[C@H](Cn1cc(Br)cn1)[NH2+]CCCNC(=O)/C=C/c1ccccc1 ZINC000800504903 659313385 /nfs/dbraw/zinc/31/33/85/659313385.db2.gz HDRHJPZZRWBFGD-XVJNWHFHSA-N 1 0 391.313 2.843 20 0 GFADRO CC(C)[NH+](CCNC(=O)NC[C@H](O)c1cccc(Br)c1)C(C)C ZINC000800697574 659327507 /nfs/dbraw/zinc/32/75/07/659327507.db2.gz ZGPFSGDKIABZTG-INIZCTEOSA-N 1 0 386.334 2.901 20 0 GFADRO Cc1nn(C)c(Br)c1C(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000800937707 659354283 /nfs/dbraw/zinc/35/42/83/659354283.db2.gz RGINZGZRFOFHJC-DGCLKSJQSA-N 1 0 383.334 2.874 20 0 GFADRO COC(=O)c1ccc(Br)cc1CN1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000801509626 659399853 /nfs/dbraw/zinc/39/98/53/659399853.db2.gz STVBEKASDKGJMD-MRXNPFEDSA-N 1 0 397.313 2.532 20 0 GFADRO COC(=O)c1ccc(Br)cc1CN1CCN(c2cc[nH+]cc2)CC1 ZINC000801520265 659401842 /nfs/dbraw/zinc/40/18/42/659401842.db2.gz DBCKQPUZFLWOTI-UHFFFAOYSA-N 1 0 390.281 2.953 20 0 GFADRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)NC[C@@H](O)c2cccc(Br)c2)C1 ZINC000801674142 659410527 /nfs/dbraw/zinc/41/05/27/659410527.db2.gz UDTHOPJAQQZUBK-XJKSGUPXSA-N 1 0 384.318 2.512 20 0 GFADRO C[C@H]1CCC[N@H+](CCNC(=O)NC[C@@H](O)c2cccc(Br)c2)C1 ZINC000801744702 659421939 /nfs/dbraw/zinc/42/19/39/659421939.db2.gz DNVFSSNIOWKLSM-XJKSGUPXSA-N 1 0 384.318 2.514 20 0 GFADRO C[NH+](C)Cc1cccc(C(=O)NC[C@@H](O)c2cccc(Br)c2)c1 ZINC000802314337 659475361 /nfs/dbraw/zinc/47/53/61/659475361.db2.gz BQFKYJJYCUBENL-QGZVFWFLSA-N 1 0 377.282 2.974 20 0 GFADRO C[C@H]1CCC[N@@H+]1CCNC(=O)C(=O)Nc1cccc(Br)c1Cl ZINC000802558148 659486150 /nfs/dbraw/zinc/48/61/50/659486150.db2.gz KZJIBVGHPUHFED-JTQLQIEISA-N 1 0 388.693 2.642 20 0 GFADRO O=C1c2cc(Br)ccc2CN1CN1CC[C@H](C[NH+]2CCCC2)C1 ZINC000802733494 659500598 /nfs/dbraw/zinc/50/05/98/659500598.db2.gz WDBASKRCYXKNMA-CQSZACIVSA-N 1 0 378.314 2.780 20 0 GFADRO Cc1nc(Cl)c(Cl)cc1C(=O)OCC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000805719941 659806468 /nfs/dbraw/zinc/80/64/68/659806468.db2.gz OERPTXNBEKSMMJ-UHFFFAOYSA-N 1 0 386.279 2.597 20 0 GFADRO C[C@@H]1CCC[N@@H+]1CCNC(=O)c1cc(Br)cnc1OCC1CC1 ZINC000807271315 659850756 /nfs/dbraw/zinc/85/07/56/659850756.db2.gz SMIVWQPNHIOUGV-GFCCVEGCSA-N 1 0 382.302 2.847 20 0 GFADRO CC(C)S(=O)(=O)CC[NH2+][C@@H](C)CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000808726559 659903751 /nfs/dbraw/zinc/90/37/51/659903751.db2.gz GVOQUYPLBZJXLE-LBPRGKRZSA-N 1 0 380.432 2.835 20 0 GFADRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]C[C@@H](O)c3ccc(F)c(Br)c3)[C@H]2C1 ZINC000808783861 659906358 /nfs/dbraw/zinc/90/63/58/659906358.db2.gz KMUXMPBZKWEOMQ-DFEHZGFQSA-N 1 0 399.304 2.858 20 0 GFADRO CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3nc4ccccn4c3Br)[C@@H]2C1 ZINC000809787703 659939271 /nfs/dbraw/zinc/93/92/71/659939271.db2.gz HVJPYDKREDLKRL-RRFJBIMHSA-N 1 0 391.313 2.833 20 0 GFADRO COc1ccc2nc(Cl)ccc2c1S(=O)(=O)N[C@@H](C)C[N@H+](C)C(C)C ZINC000809861163 659950506 /nfs/dbraw/zinc/95/05/06/659950506.db2.gz QQHLLONOFUDCBP-LBPRGKRZSA-N 1 0 385.917 2.904 20 0 GFADRO Brc1ccccc1-n1cc(C[NH2+]C[C@@H]2CSCCS2)nn1 ZINC000810147652 659964675 /nfs/dbraw/zinc/96/46/75/659964675.db2.gz JITHCEZNBCPLDZ-GFCCVEGCSA-N 1 0 385.356 2.968 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000810313122 659969369 /nfs/dbraw/zinc/96/93/69/659969369.db2.gz COJBIHCPPNEZLZ-KBPBESRZSA-N 1 0 396.329 2.933 20 0 GFADRO O=C(O[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(Br)cc1-n1cncn1 ZINC000810848951 659988387 /nfs/dbraw/zinc/98/83/87/659988387.db2.gz XUMBATVMFNBKEA-KBPBESRZSA-N 1 0 391.269 2.813 20 0 GFADRO O=S(=O)(N1CCC(C[NH2+]CC2Cc3ccccc3C2)CC1)C(F)(F)F ZINC000811480518 660009972 /nfs/dbraw/zinc/00/99/72/660009972.db2.gz WSDIALHAYWZWDN-UHFFFAOYSA-N 1 0 376.444 2.553 20 0 GFADRO CC(C)[N@H+](C)C[C@H](C)NC(=O)c1ccnc(Cl)c1I ZINC000811600666 660013183 /nfs/dbraw/zinc/01/31/83/660013183.db2.gz KLIJQXCWIVUNQU-VIFPVBQESA-N 1 0 395.672 2.798 20 0 GFADRO CC(C)(C)OC(=O)NC[C@](C)(O)C[NH2+]Cc1csc(Br)c1 ZINC000811811719 660015851 /nfs/dbraw/zinc/01/58/51/660015851.db2.gz DYJAKTCEXAQSMC-CQSZACIVSA-N 1 0 379.320 2.876 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH]c4cc(Br)ccc34)C[C@@H]2C1 ZINC000812329170 660024166 /nfs/dbraw/zinc/02/41/66/660024166.db2.gz HZIWTSDHCPFAKV-OCCSQVGLSA-N 1 0 376.298 2.883 20 0 GFADRO O=S(=O)(N1CCC([NH2+][C@H]2CCCc3c(O)cccc32)CC1)C(F)(F)F ZINC000812720793 660033898 /nfs/dbraw/zinc/03/38/98/660033898.db2.gz PEIGAUYFGFZROX-AWEZNQCLSA-N 1 0 378.416 2.673 20 0 GFADRO COC(=O)c1cc(C[NH2+]Cc2cc(Br)c(O)c(OC)c2)n(C)c1C ZINC000812750628 660034225 /nfs/dbraw/zinc/03/42/25/660034225.db2.gz BWEBUJGLROQLEE-UHFFFAOYSA-N 1 0 397.269 2.887 20 0 GFADRO CC[NH+](CC)Cc1ccc(C(=O)OCCn2cnc(Br)n2)cc1 ZINC000813204795 660047855 /nfs/dbraw/zinc/04/78/55/660047855.db2.gz CDCRYFKTEZRSFO-UHFFFAOYSA-N 1 0 381.274 2.739 20 0 GFADRO CC(C)(C)OC(=O)NCC[NH2+][C@H](CO)c1ccc(Br)c(F)c1 ZINC000813791809 660064822 /nfs/dbraw/zinc/06/48/22/660064822.db2.gz FWWSKWZDALHJKQ-CYBMUJFWSA-N 1 0 377.254 2.736 20 0 GFADRO Cn1ncc(Br)c1C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)OC(C)(C)C ZINC000813788459 660064861 /nfs/dbraw/zinc/06/48/61/660064861.db2.gz LYZKCRRNQRPTST-QWRGUYRKSA-N 1 0 391.285 2.620 20 0 GFADRO C[C@@H](CNC(=O)/C=C/CN(C)CC(F)(F)F)[N@@H+]1CCc2sccc2C1 ZINC000814480484 660086456 /nfs/dbraw/zinc/08/64/56/660086456.db2.gz RRPJAEDRMCVDLR-OOPCZODUSA-N 1 0 375.460 2.661 20 0 GFADRO C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](Cc3ccc(Br)cc3)C2)CCO1 ZINC000814677147 660093591 /nfs/dbraw/zinc/09/35/91/660093591.db2.gz APKBQGFPLGWXHA-GDBMZVCRSA-N 1 0 381.314 2.561 20 0 GFADRO Cc1nc2n(n1)C[C@@H]([NH2+]C[C@@](C)(O)c1ccc(Br)cc1Cl)CC2 ZINC000815040589 660105897 /nfs/dbraw/zinc/10/58/97/660105897.db2.gz IEMLJENVSISMAD-BLLLJJGKSA-N 1 0 399.720 2.815 20 0 GFADRO O=C(c1cn2c(Br)cnc2s1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000815151461 660114727 /nfs/dbraw/zinc/11/47/27/660114727.db2.gz FOTMXGTWJVHBJM-LLVKDONJSA-N 1 0 383.315 2.859 20 0 GFADRO CCc1sc(C(=O)N[C@@H]2CCC[N@H+](CCOC)C2)cc1Br ZINC000815473612 660123380 /nfs/dbraw/zinc/12/33/80/660123380.db2.gz BCHHDASJPFLMQW-LLVKDONJSA-N 1 0 375.332 2.914 20 0 GFADRO O=C(c1cn2c(Br)cnc2s1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000815514948 660124685 /nfs/dbraw/zinc/12/46/85/660124685.db2.gz LDYJRCDVKJZZBW-NSHDSACASA-N 1 0 383.315 2.859 20 0 GFADRO CCN(C(=O)OC(C)(C)C)[C@H](C)C[NH2+]C1CCC(CS(C)(=O)=O)CC1 ZINC000815621908 660126783 /nfs/dbraw/zinc/12/67/83/660126783.db2.gz GZCMORPOGUIBLY-QQFBHYJXSA-N 1 0 376.563 2.825 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cn3c(Br)cnc3s2)[C@@H](C)C1 ZINC000815684447 660128375 /nfs/dbraw/zinc/12/83/75/660128375.db2.gz OKWJCLGIIRIOQK-WDEREUQCSA-N 1 0 385.331 2.961 20 0 GFADRO C[N@@H+]1C[C@@H]2CCN(C(=O)C(=O)Nc3cccc(Cl)c3SC(F)F)[C@@H]2C1 ZINC000815705214 660129061 /nfs/dbraw/zinc/12/90/61/660129061.db2.gz CHYNZFUCQIIWSZ-JOYOIKCWSA-N 1 0 389.855 2.756 20 0 GFADRO CN(C(=O)N[C@H]1CCN(c2ccc(Br)cc2)C1)C1CCC([NH3+])CC1 ZINC000841787098 661313169 /nfs/dbraw/zinc/31/31/69/661313169.db2.gz NHMDLZHKFQITSS-PCKAHOCUSA-N 1 0 395.345 2.939 20 0 GFADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)Nc1cnc(Cl)c(C(F)(F)F)c1 ZINC000841801867 661315223 /nfs/dbraw/zinc/31/52/23/661315223.db2.gz YZGLMHSDVLPHDM-JTQLQIEISA-N 1 0 379.814 2.511 20 0 GFADRO [NH3+]C[C@H](NC(=O)NC[C@H](O)c1cccc(Br)c1)C1CCCCC1 ZINC000841939714 661317934 /nfs/dbraw/zinc/31/79/34/661317934.db2.gz JMVUPSLITQCGJY-HOTGVXAUSA-N 1 0 384.318 2.689 20 0 GFADRO [NH3+][C@@H]1CN(CCS(=O)(=O)c2ccc(Cl)cc2)C[C@H]1c1cccc(F)c1 ZINC000842478171 661341152 /nfs/dbraw/zinc/34/11/52/661341152.db2.gz DURODKFHJPYHRL-ZWKOTPCHSA-N 1 0 382.888 2.680 20 0 GFADRO O=C1CCc2cc(Cl)c(S(=O)(=O)N3CCCC[C@H]3[C@@H]3CCC[NH2+]3)cc21 ZINC000842481372 661341408 /nfs/dbraw/zinc/34/14/08/661341408.db2.gz IOCKFFFEXVEEFE-HOTGVXAUSA-N 1 0 382.913 2.764 20 0 GFADRO [NH3+][C@@H]1CCO[C@@H](C2CCN(S(=O)(=O)/C=C\c3cccc(Cl)c3)CC2)C1 ZINC000842484688 661341775 /nfs/dbraw/zinc/34/17/75/661341775.db2.gz LAPKFLANMIKVNT-CFKPLXACSA-N 1 0 384.929 2.859 20 0 GFADRO Cc1n[nH]c(C(=O)N2CC[C@H](c3ccc(F)cc3)[C@@H]([NH3+])C2)c1Br ZINC000842514141 661342854 /nfs/dbraw/zinc/34/28/54/661342854.db2.gz KPTMYSBICGLPEC-OLZOCXBDSA-N 1 0 381.249 2.577 20 0 GFADRO C[NH2+]C[C@@H](C)c1noc([C@@H]2CC(=O)N(c3cccc(Br)c3)C2)n1 ZINC000842580498 661344126 /nfs/dbraw/zinc/34/41/26/661344126.db2.gz UKGZFLYJODIAJR-GHMZBOCLSA-N 1 0 379.258 2.676 20 0 GFADRO C[NH2+]C[C@H](C)c1noc([C@H]2CC(=O)N(c3ccc(Br)c(C)c3)C2)n1 ZINC000842581701 661344324 /nfs/dbraw/zinc/34/43/24/661344324.db2.gz YUXRDANTBUGMLF-RYUDHWBXSA-N 1 0 393.285 2.984 20 0 GFADRO Brc1ccccc1-n1cc(-c2nc([C@@H]3CCC[NH2+]C3)no2)nn1 ZINC000842664434 661347954 /nfs/dbraw/zinc/34/79/54/661347954.db2.gz DRHRBFZJSYFKBH-SNVBAGLBSA-N 1 0 375.230 2.547 20 0 GFADRO COCCCOc1ccc(Cl)cc1S(=O)(=O)N1CCCC[C@@H]1CC[NH3+] ZINC000842859099 661357472 /nfs/dbraw/zinc/35/74/72/661357472.db2.gz CPQGLWAEBDXYED-OAHLLOKOSA-N 1 0 390.933 2.647 20 0 GFADRO O=S(=O)(c1ccc(SC(F)(F)F)cc1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000842872383 661358103 /nfs/dbraw/zinc/35/81/03/661358103.db2.gz NRSQBFGNBQOWHT-TXEJJXNPSA-N 1 0 380.457 2.919 20 0 GFADRO O[C@@H](C[NH2+]C[C@@H](O)c1ccccc1F)COc1ccc(Br)cc1 ZINC000843067549 661365984 /nfs/dbraw/zinc/36/59/84/661365984.db2.gz ZGYBKSQPDPYIHQ-SUMWQHHRSA-N 1 0 384.245 2.651 20 0 GFADRO COc1cc(OC)cc([C@@H](O)C[NH2+]C[C@H](O)c2ccc(Br)cc2)c1 ZINC000843065468 661365992 /nfs/dbraw/zinc/36/59/92/661365992.db2.gz FQUZMQVUAJHDDV-ROUUACIJSA-N 1 0 396.281 2.823 20 0 GFADRO C[C@](O)(C[NH2+]C[C@H](O)Cc1ccccc1)c1ccc(Br)cc1F ZINC000843071497 661366417 /nfs/dbraw/zinc/36/64/17/661366417.db2.gz KEVFMKPXZLWZTP-QAPCUYQASA-N 1 0 382.273 2.989 20 0 GFADRO C[C@H](C[C@@H](O)c1ccco1)[NH2+]C[C@@H](O)COc1cccc(Br)c1 ZINC000843101741 661368118 /nfs/dbraw/zinc/36/81/18/661368118.db2.gz QOWPXXFCESJNDL-XNRPHZJLSA-N 1 0 384.270 2.884 20 0 GFADRO O[C@H](C[NH2+]C[C@H](O)c1cccc(Br)c1)COc1ccccc1F ZINC000843111140 661368529 /nfs/dbraw/zinc/36/85/29/661368529.db2.gz DDFSUSSXFBAYQL-ZBFHGGJFSA-N 1 0 384.245 2.651 20 0 GFADRO Cc1ccc(C[C@H](CO)C[NH2+]C[C@H](O)c2ccc(F)cn2)cc1Br ZINC000843115008 661369308 /nfs/dbraw/zinc/36/93/08/661369308.db2.gz FNTDVEIOUYRLJZ-KSSFIOAISA-N 1 0 397.288 2.766 20 0 GFADRO O[C@H](C[NH2+][C@@H]1COc2ccccc2[C@H]1O)COc1ccc(Cl)cc1Cl ZINC000843116101 661369377 /nfs/dbraw/zinc/36/93/77/661369377.db2.gz MBBSJVUAIUENSF-CDHAZOANSA-N 1 0 384.259 2.817 20 0 GFADRO COc1ccc(Br)cc1C[C@H](CO)C[NH2+]C[C@H](O)c1ccccc1 ZINC000843115588 661369473 /nfs/dbraw/zinc/36/94/73/661369473.db2.gz HEMYDHYHCWOSSW-KSSFIOAISA-N 1 0 394.309 2.932 20 0 GFADRO C[C@](O)(C[NH2+][C@@H]1COc2ccccc2[C@H]1O)c1ccc(Br)cc1F ZINC000843116379 661369531 /nfs/dbraw/zinc/36/95/31/661369531.db2.gz NHTJFLIVTDDEBL-NXHRZFHOSA-N 1 0 396.256 2.880 20 0 GFADRO Ic1ccccc1CN1CC[NH2+]C[C@@H]1c1ccncc1 ZINC000843120304 661370045 /nfs/dbraw/zinc/37/00/45/661370045.db2.gz DODBKXAQWAMJHL-MRXNPFEDSA-N 1 0 379.245 2.833 20 0 GFADRO CC(C)[C@@H]([NH3+])c1noc(-c2ccc(S(=O)(=O)N3CCC(C)CC3)s2)n1 ZINC000843154184 661371093 /nfs/dbraw/zinc/37/10/93/661371093.db2.gz YOFYGPXMPAOPMI-CQSZACIVSA-N 1 0 384.527 2.875 20 0 GFADRO [NH3+]C1(Cc2nc(Cc3cccc(F)c3I)no2)CCC1 ZINC000843209337 661372934 /nfs/dbraw/zinc/37/29/34/661372934.db2.gz OGQIWDPSUUYULW-UHFFFAOYSA-N 1 0 387.196 2.828 20 0 GFADRO COc1ccc(CN2CCN([C@@H]3CC[NH2+]C3)CC2)cc1SC(F)(F)F ZINC000843385033 661379054 /nfs/dbraw/zinc/37/90/54/661379054.db2.gz QFIKXNDDUBZLDJ-CQSZACIVSA-N 1 0 375.460 2.787 20 0 GFADRO CC[C@@H](CNC(=O)CO[C@H]1CCC[NH2+]C1)Cc1cccc(Br)c1 ZINC000843442663 661381742 /nfs/dbraw/zinc/38/17/42/661381742.db2.gz CCJRZYODBRRPBE-PBHICJAKSA-N 1 0 383.330 2.903 20 0 GFADRO O=C(Nc1cnn(C2CC[NH2+]CC2)c1)c1cc2c(c(Br)c1)OCO2 ZINC000843456073 661382199 /nfs/dbraw/zinc/38/21/99/661382199.db2.gz IKUHUVVZWKXHDA-UHFFFAOYSA-N 1 0 393.241 2.551 20 0 GFADRO COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)c1ccc(C2SCCCS2)cc1 ZINC000843477973 661382957 /nfs/dbraw/zinc/38/29/57/661382957.db2.gz MTWSUJKHTCGJOX-HNNXBMFYSA-N 1 0 380.535 2.532 20 0 GFADRO C[C@H](CN(C)C(=O)CO[C@H]1CCC[NH2+]C1)Oc1ccc(Cl)c(Cl)c1 ZINC000843495307 661383303 /nfs/dbraw/zinc/38/33/03/661383303.db2.gz MODUISCVUSLSNN-OCCSQVGLSA-N 1 0 375.296 2.988 20 0 GFADRO CN(Cc1ccc(Br)cc1Cl)C(=O)CO[C@H]1CCC[NH2+]C1 ZINC000843491846 661383356 /nfs/dbraw/zinc/38/33/56/661383356.db2.gz NKFSFFJHZPFYBL-ZDUSSCGKSA-N 1 0 375.694 2.830 20 0 GFADRO CN(C)c1nc(Cl)c(C(=O)NC[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)s1 ZINC000844048483 661401642 /nfs/dbraw/zinc/40/16/42/661401642.db2.gz DQAQIJJRGUHNAR-KGLIPLIRSA-N 1 0 378.929 2.938 20 0 GFADRO CC[N@H+](Cc1cc(Cl)cc(S(N)(=O)=O)c1)[C@@H](C)[C@@H](O)c1ccccc1 ZINC000844329552 661415931 /nfs/dbraw/zinc/41/59/31/661415931.db2.gz HKNOPZVYYPDNBK-SCLBCKFNSA-N 1 0 382.913 2.931 20 0 GFADRO CC(C)S(=O)(=O)CC[N@@H+]1CCC[C@H](C)[C@H]1CCNC(=O)OC(C)(C)C ZINC000844399553 661419211 /nfs/dbraw/zinc/41/92/11/661419211.db2.gz CHKXGXNCUYFEOK-JKSUJKDBSA-N 1 0 376.563 2.825 20 0 GFADRO O=C1C=C(c2ccc(Br)cc2)CN1CN1CC[C@H]([NH+]2CC=CC2)C1 ZINC000844696803 661435082 /nfs/dbraw/zinc/43/50/82/661435082.db2.gz CZHODXHHLSOLAG-SFHVURJKSA-N 1 0 388.309 2.578 20 0 GFADRO Brc1ccn(CN2CCO[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]32)n1 ZINC000844726612 661437309 /nfs/dbraw/zinc/43/73/09/661437309.db2.gz CWYMHCUQVGWHDB-SJORKVTESA-N 1 0 391.313 2.578 20 0 GFADRO C[NH+](C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)OCC(Cl)(Cl)Cl ZINC000845504734 661475311 /nfs/dbraw/zinc/47/53/11/661475311.db2.gz XBAHNWXPBCYIMA-VIFPVBQESA-N 1 0 377.696 2.745 20 0 GFADRO COCC[N@H+]1[C@H](C)CN(c2ncnc3cc(Br)sc32)C[C@@H]1C ZINC000845578688 661481509 /nfs/dbraw/zinc/48/15/09/661481509.db2.gz JSARMVSOEJDBDI-PHIMTYICSA-N 1 0 385.331 2.999 20 0 GFADRO O=C(NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1snc(Cl)c1Cl ZINC000845672134 661487682 /nfs/dbraw/zinc/48/76/82/661487682.db2.gz NWMBOEOHBHSUDX-MRXNPFEDSA-N 1 0 386.304 2.817 20 0 GFADRO CCOC(=O)C1CCN(C(=O)C[C@H](C)[NH2+]CC[C@@]2(C)C[C@@]2(F)Cl)CC1 ZINC000846036116 661526062 /nfs/dbraw/zinc/52/60/62/661526062.db2.gz VXKLGNTWIRSFFN-KKXDTOCCSA-N 1 0 376.900 2.861 20 0 GFADRO CCOC(=O)C1CCN(C(=O)C[C@H](C)[NH2+]CC[C@@]2(C)C[C@]2(F)Cl)CC1 ZINC000846036113 661526163 /nfs/dbraw/zinc/52/61/63/661526163.db2.gz VXKLGNTWIRSFFN-DOPJRALCSA-N 1 0 376.900 2.861 20 0 GFADRO Cn1nc(C(F)(F)F)c(CN2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)c1Cl ZINC000846227400 661538742 /nfs/dbraw/zinc/53/87/42/661538742.db2.gz QJDQCNHWMATUCD-CYZMBNFOSA-N 1 0 380.842 2.953 20 0 GFADRO COC(=O)c1cc(S(=O)(=O)N2CCC(CC[NH3+])CC2)c(Cl)cc1Cl ZINC000846235691 661539769 /nfs/dbraw/zinc/53/97/69/661539769.db2.gz ZECDCKPETUOJNH-UHFFFAOYSA-N 1 0 395.308 2.530 20 0 GFADRO Cc1ccc(NC(=O)N2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)c(Br)n1 ZINC000846307637 661544097 /nfs/dbraw/zinc/54/40/97/661544097.db2.gz SJXUWOXXNQVKSG-GUTXKFCHSA-N 1 0 397.317 2.903 20 0 GFADRO Cc1cc(Br)ncc1NC(=O)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000847164506 661578328 /nfs/dbraw/zinc/57/83/28/661578328.db2.gz GVIHEOCMXZWFNO-CQSZACIVSA-N 1 0 397.317 2.871 20 0 GFADRO C[C@@H](CNC(=O)c1cnc(Br)c(Cl)c1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000847178381 661579403 /nfs/dbraw/zinc/57/94/03/661579403.db2.gz PHODVOQONNXTSW-GARJFASQSA-N 1 0 390.709 2.725 20 0 GFADRO COC(=O)C1CC[NH+](CCCNC(=O)c2cc(Cl)c(Cl)nc2C)CC1 ZINC000847342401 661588162 /nfs/dbraw/zinc/58/81/62/661588162.db2.gz JOQQVPZZXXAINE-UHFFFAOYSA-N 1 0 388.295 2.702 20 0 GFADRO O=C(NC[C@H](O)c1cccc(Br)c1)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000847446919 661592553 /nfs/dbraw/zinc/59/25/53/661592553.db2.gz KWACPYSKUWQPNW-ZACQAIPSSA-N 1 0 396.329 2.799 20 0 GFADRO C[N@H+](CCNC(=O)c1cnc(F)c(Br)c1)Cc1ccc(F)cc1 ZINC000847548360 661596624 /nfs/dbraw/zinc/59/66/24/661596624.db2.gz MVBPSWCGQRKLJZ-UHFFFAOYSA-N 1 0 384.224 2.984 20 0 GFADRO C[C@H]1CN(C(=O)c2nc(Cl)sc2Cl)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000847630693 661602773 /nfs/dbraw/zinc/60/27/73/661602773.db2.gz QPPPXGUPKXSGMB-QWRGUYRKSA-N 1 0 377.341 2.548 20 0 GFADRO CO[C@H](C(=O)OC[C@H]1C[N@@H+](C(C)C)CCO1)c1ccccc1Br ZINC000847680933 661605494 /nfs/dbraw/zinc/60/54/94/661605494.db2.gz SDVREBPPNCECKW-CJNGLKHVSA-N 1 0 386.286 2.789 20 0 GFADRO Cc1c(C(=O)OCC[C@@H]2CC[N@@H+](C)C2)nnn1-c1cccc(Br)c1 ZINC000847824668 661612132 /nfs/dbraw/zinc/61/21/32/661612132.db2.gz OFXLHWJLPIPGBW-ZDUSSCGKSA-N 1 0 393.285 2.837 20 0 GFADRO CC(=O)N[C@H](CC(=O)OCC[C@H]1CC[N@@H+](C)C1)c1ccc(Br)cc1 ZINC000847829326 661612626 /nfs/dbraw/zinc/61/26/26/661612626.db2.gz XGNFKBZZHVNSIZ-RHSMWYFYSA-N 1 0 397.313 2.901 20 0 GFADRO CS(=O)(=O)C1(CNC(=[NH2+])Nc2cccc(OC(F)(F)F)c2)CCCC1 ZINC000849052300 661690516 /nfs/dbraw/zinc/69/05/16/661690516.db2.gz SVYOBMYXLCOEIN-UHFFFAOYSA-N 1 0 379.404 2.879 20 0 GFADRO COc1ccc(NC(=[NH2+])NCCS(=O)(=O)Cc2ccccc2)cc1Cl ZINC000849064192 661691107 /nfs/dbraw/zinc/69/11/07/661691107.db2.gz XLMIJXWXLBJRND-UHFFFAOYSA-N 1 0 381.885 2.900 20 0 GFADRO C[C@H]1CN(C(=[NH2+])NCc2cc(Br)ccc2Br)CCO1 ZINC000849095455 661691451 /nfs/dbraw/zinc/69/14/51/661691451.db2.gz YNPUVFHUBIQWDX-VIFPVBQESA-N 1 0 391.107 2.957 20 0 GFADRO CCS(=O)(=O)c1cc(Cl)cc(CNC(=[NH2+])NCCc2ccccc2)c1 ZINC000849115685 661693330 /nfs/dbraw/zinc/69/33/30/661693330.db2.gz DTTQTICGBGFCAJ-UHFFFAOYSA-N 1 0 379.913 2.990 20 0 GFADRO C[NH+](C)C1(CN2C(=O)N[C@H](c3ccccc3Br)C2=O)CCCC1 ZINC000849351857 661708668 /nfs/dbraw/zinc/70/86/68/661708668.db2.gz DAAVWKHHFHNOLK-CQSZACIVSA-N 1 0 380.286 2.916 20 0 GFADRO CCC[NH+]1CCC(N2C(=O)N[C@H](c3ccccc3Br)C2=O)CC1 ZINC000849352701 661709075 /nfs/dbraw/zinc/70/90/75/661709075.db2.gz PVACPOKNSWZMOU-OAHLLOKOSA-N 1 0 380.286 2.916 20 0 GFADRO C[C@H](CC(F)(F)F)CS(=O)(=O)N(C)c1ccc(OCC[NH+](C)C)cc1 ZINC000849375142 661711581 /nfs/dbraw/zinc/71/15/81/661711581.db2.gz OTCZEIDTSHXPNG-CYBMUJFWSA-N 1 0 382.448 2.982 20 0 GFADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)Nc2ccccc2Br)cn1 ZINC000849480680 661733346 /nfs/dbraw/zinc/73/33/46/661733346.db2.gz GGVSFQYRJQBVDM-KBPBESRZSA-N 1 0 377.286 2.857 20 0 GFADRO Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)NCc2csc(Br)c2)cn1 ZINC000849501907 661733920 /nfs/dbraw/zinc/73/39/20/661733920.db2.gz YAWXBDCFEAWFGY-UONOGXRCSA-N 1 0 397.342 2.596 20 0 GFADRO CO[C@@H]1CCC[C@@H]([C@H](CO)[NH2+]Cc2ccccc2I)C1 ZINC000850354013 661771603 /nfs/dbraw/zinc/77/16/03/661771603.db2.gz RYUJXCLLUWDASN-XPKDYRNWSA-N 1 0 389.277 2.947 20 0 GFADRO CO[C@@H]1CCC[C@H]([C@H](CO)[NH2+]Cc2ccccc2I)C1 ZINC000850354010 661771674 /nfs/dbraw/zinc/77/16/74/661771674.db2.gz RYUJXCLLUWDASN-BJJXKVORSA-N 1 0 389.277 2.947 20 0 GFADRO CC(C)(C[NH2+]Cc1ccccc1I)[C@]1(O)CCCOC1 ZINC000850400261 661774719 /nfs/dbraw/zinc/77/47/19/661774719.db2.gz CXSOBBKHAUCBTA-INIZCTEOSA-N 1 0 389.277 2.949 20 0 GFADRO C[C@H](Cc1ccccc1)N1CCC([NH2+]CC[S@@](=O)CC(F)(F)F)CC1 ZINC000850492583 661779193 /nfs/dbraw/zinc/77/91/93/661779193.db2.gz FDOHPMQTGGPTPZ-SGANQWHYSA-N 1 0 376.488 2.983 20 0 GFADRO Cc1nccn1-c1ccc([C@H](C)[NH2+]CCS(=O)(=O)CC(F)(F)F)cc1 ZINC000850518043 661780183 /nfs/dbraw/zinc/78/01/83/661780183.db2.gz BKGMPVURAZSMFH-LBPRGKRZSA-N 1 0 375.416 2.808 20 0 GFADRO COc1ccc(C[C@H](C)[NH2+]CCS(=O)(=O)CC(F)(F)F)c(C)c1OC ZINC000850519005 661780595 /nfs/dbraw/zinc/78/05/95/661780595.db2.gz WMOLPBWYWXRRDL-NSHDSACASA-N 1 0 383.432 2.510 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2S(=O)(=O)CCc2ccccc2Cl)C1 ZINC000850589879 661782644 /nfs/dbraw/zinc/78/26/44/661782644.db2.gz PPTXRTQPAHXKFF-NXHRZFHOSA-N 1 0 386.945 2.573 20 0 GFADRO [NH3+]CCn1cc(C(=O)Nc2ccccc2SC[C@H]2CC2(Cl)Cl)nn1 ZINC000851628305 661826659 /nfs/dbraw/zinc/82/66/59/661826659.db2.gz BMURHAXORXRROX-SNVBAGLBSA-N 1 0 386.308 2.775 20 0 GFADRO CC[NH2+]CC(=O)N1CCc2cc(Br)c(Br)cc2C1 ZINC000851647970 661827778 /nfs/dbraw/zinc/82/77/78/661827778.db2.gz VITMNNFJWVZBGH-UHFFFAOYSA-N 1 0 376.092 2.706 20 0 GFADRO O=C(Nc1ccc(Br)cn1)[C@H]1CCC[N@@H+](CCOC(F)F)C1 ZINC000851825747 661835365 /nfs/dbraw/zinc/83/53/65/661835365.db2.gz QPUHTTGORUBKIO-JTQLQIEISA-N 1 0 378.217 2.734 20 0 GFADRO O=S(=O)(NCC1CC[NH+](CC2CC2)CC1)c1c(Cl)ccnc1Cl ZINC000851880302 661842450 /nfs/dbraw/zinc/84/24/50/661842450.db2.gz WLHZSCJCJVLLEE-UHFFFAOYSA-N 1 0 378.325 2.789 20 0 GFADRO CC(C)([NH2+]C[C@@](O)(C(N)=O)c1ccccc1)c1ccccc1Br ZINC000851905413 661845501 /nfs/dbraw/zinc/84/55/01/661845501.db2.gz FZBZUCQGMWPHNQ-SFHVURJKSA-N 1 0 377.282 2.647 20 0 GFADRO CCS(=O)(=O)c1ccc([C@@H](C)[NH2+]CC(=O)Nc2ccc(Cl)nc2)cc1 ZINC000852022653 661849562 /nfs/dbraw/zinc/84/95/62/661849562.db2.gz MTMKQOAMWOUXPS-GFCCVEGCSA-N 1 0 381.885 2.818 20 0 GFADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)N1CCc2ccc(Cl)c(Cl)c2C1 ZINC000852062240 661851048 /nfs/dbraw/zinc/85/10/48/661851048.db2.gz BEJHMMUFQMYHSE-KGLIPLIRSA-N 1 0 384.307 2.924 20 0 GFADRO OCC1([C@@H]([NH2+]CCn2cnc(Br)n2)c2ccccc2)CCCC1 ZINC000852154051 661854901 /nfs/dbraw/zinc/85/49/01/661854901.db2.gz MHFFUHCCXDIAGU-HNNXBMFYSA-N 1 0 379.302 2.924 20 0 GFADRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCn2ncc(Br)c2C1 ZINC000852186910 661856112 /nfs/dbraw/zinc/85/61/12/661856112.db2.gz KVEAKUIUSZMLOM-MJBXVCDLSA-N 1 0 398.349 2.537 20 0 GFADRO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)NC[C@H](O)c1ccccc1Br ZINC000852603831 661867740 /nfs/dbraw/zinc/86/77/40/661867740.db2.gz VWHRKQDULCQULG-PBHICJAKSA-N 1 0 398.345 2.902 20 0 GFADRO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)NC[C@@H](O)c1cccc(Br)c1 ZINC000852602756 661867790 /nfs/dbraw/zinc/86/77/90/661867790.db2.gz PNIPEUSWJIONPD-WMLDXEAASA-N 1 0 398.345 2.902 20 0 GFADRO C[C@@](O)(C[N@@H+]1CC[C@H](CN2CCCC2=O)C1)c1ccc(Br)cc1F ZINC000852678049 661870968 /nfs/dbraw/zinc/87/09/68/661870968.db2.gz AQXHBZDBMGIJHR-SCLBCKFNSA-N 1 0 399.304 2.740 20 0 GFADRO CCOC(=O)CC1([NH2+]C[C@H](O)c2ccccc2Br)CCOCC1 ZINC000852725883 661871927 /nfs/dbraw/zinc/87/19/27/661871927.db2.gz BIJGVRSTMJQQEK-HNNXBMFYSA-N 1 0 386.286 2.575 20 0 GFADRO O=C(Nc1nnc(SCc2ccccc2)s1)[C@@H]1[NH2+]CC12CCOCC2 ZINC000852783945 661874333 /nfs/dbraw/zinc/87/43/33/661874333.db2.gz ZEOMESPLXODOJO-ZDUSSCGKSA-N 1 0 376.507 2.538 20 0 GFADRO CC(C)C[C@H](C[NH3+])CC(=O)Nc1cc(Cl)ccc1OCCS(C)(=O)=O ZINC000852840575 661875612 /nfs/dbraw/zinc/87/56/12/661875612.db2.gz QMEHUKHFWJOTHO-ZDUSSCGKSA-N 1 0 390.933 2.713 20 0 GFADRO CS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC[C@@H](C3CC[NH2+]CC3)C2)c1 ZINC000852839805 661875624 /nfs/dbraw/zinc/87/56/24/661875624.db2.gz LLDCYZNQDUSTKW-CQSZACIVSA-N 1 0 384.929 2.595 20 0 GFADRO O=C(c1cnn(-c2ccccc2)c1Br)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000852874576 661876033 /nfs/dbraw/zinc/87/60/33/661876033.db2.gz RLVBQOKHUYZBSH-CQSZACIVSA-N 1 0 375.270 2.601 20 0 GFADRO CC1(CNC(=O)c2cnn(-c3ccccc3)c2Br)CC[NH2+]CC1 ZINC000852874833 661876056 /nfs/dbraw/zinc/87/60/56/661876056.db2.gz CUGPFYXYEWLBHN-UHFFFAOYSA-N 1 0 377.286 2.754 20 0 GFADRO O=C(c1cnn(-c2ccccc2)c1Br)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000852881461 661876493 /nfs/dbraw/zinc/87/64/93/661876493.db2.gz LDFSNOFAOGKZAQ-OKILXGFUSA-N 1 0 389.297 2.706 20 0 GFADRO O=C(C=C1CC[NH2+]CC1)NCc1cc(Cl)cc(I)c1 ZINC000852893047 661876608 /nfs/dbraw/zinc/87/66/08/661876608.db2.gz LYRUZOSNMQOGOS-UHFFFAOYSA-N 1 0 390.652 2.871 20 0 GFADRO CS(=O)(=O)c1cc(C(=O)N2CCC[C@@H](C3CC[NH2+]CC3)C2)ccc1Cl ZINC000852897517 661876620 /nfs/dbraw/zinc/87/66/20/661876620.db2.gz CPYXVSCTXQRBQS-OAHLLOKOSA-N 1 0 384.929 2.595 20 0 GFADRO CC[C@@]1(C(=O)N2CC[C@@]3(C)[C@@H](C2)C3(Br)Br)CCC[NH2+]1 ZINC000852901390 661876771 /nfs/dbraw/zinc/87/67/71/661876771.db2.gz HABDVZDNLASPEJ-WXHSDQCUSA-N 1 0 394.151 2.873 20 0 GFADRO C[C@]12CCN(C(=O)c3ccc(C[NH3+])o3)C[C@H]1C2(Br)Br ZINC000852901402 661876775 /nfs/dbraw/zinc/87/67/75/661876775.db2.gz HCTACYPWQCUKHU-PWSUYJOCSA-N 1 0 392.091 2.706 20 0 GFADRO C[C@]12CCN(C(=O)[C@@]3(C)CCC[NH2+]C3)C[C@H]1C2(Br)Br ZINC000852902005 661877071 /nfs/dbraw/zinc/87/70/71/661877071.db2.gz ZCOACORMBQFZHR-WXHSDQCUSA-N 1 0 394.151 2.731 20 0 GFADRO CS[C@H]1CN(c2nc(Cl)nc3c(Br)c[nH]c32)C[C@@H]1[NH+](C)C ZINC000853461580 661889481 /nfs/dbraw/zinc/88/94/81/661889481.db2.gz VFKBBMILSAZMGN-IUCAKERBSA-N 1 0 390.738 2.856 20 0 GFADRO CN(CC1C[NH+](C)C1)Cn1[nH]c(-c2ccccc2Br)nc1=S ZINC000853555908 661892370 /nfs/dbraw/zinc/89/23/70/661892370.db2.gz SDEMKYKOAWMZKW-UHFFFAOYSA-N 1 0 382.331 2.821 20 0 GFADRO COc1ncc(Br)cc1CONC(=[NH2+])[C@H]1COc2ccccc2O1 ZINC000853676680 661896888 /nfs/dbraw/zinc/89/68/88/661896888.db2.gz FUPMZFHKWHMUQW-CQSZACIVSA-N 1 0 394.225 2.691 20 0 GFADRO COC(=O)c1sc(NCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)nc1Cl ZINC000853796014 661901448 /nfs/dbraw/zinc/90/14/48/661901448.db2.gz RYNAEPIEOGXRCP-CYBMUJFWSA-N 1 0 381.885 2.762 20 0 GFADRO C[C@]1(CNC(=O)NCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)CC1(Cl)Cl ZINC000854111192 661914462 /nfs/dbraw/zinc/91/44/62/661914462.db2.gz GQUBIUNMHIENTB-DOTOQJQBSA-N 1 0 386.323 2.636 20 0 GFADRO O=S(=O)(c1cccc(-c2nc(CC3CC[NH2+]CC3)no2)c1)C(F)(F)F ZINC000854131812 661915587 /nfs/dbraw/zinc/91/55/87/661915587.db2.gz XTTJMOWRDPERBV-UHFFFAOYSA-N 1 0 375.372 2.572 20 0 GFADRO O=C(/C=C\c1ccc(Br)o1)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000854333822 661924893 /nfs/dbraw/zinc/92/48/93/661924893.db2.gz VMPVKDXTOHMDNS-KXQLTZBTSA-N 1 0 383.286 2.769 20 0 GFADRO O=C(NC[C@@H]1C[N@@H+]2CCN1CCC2)C(F)(F)c1cc(Cl)ccc1Cl ZINC000854354260 661928012 /nfs/dbraw/zinc/92/80/12/661928012.db2.gz OFZDICYBYVIGPQ-GFCCVEGCSA-N 1 0 378.250 2.591 20 0 GFADRO C[NH+](C)C[C@H](CO)NC(=O)c1sc2cc(Br)ccc2c1Cl ZINC000854466448 661935159 /nfs/dbraw/zinc/93/51/59/661935159.db2.gz CYGJCDYKPQQXEK-SECBINFHSA-N 1 0 391.718 2.970 20 0 GFADRO Cc1sc(Br)nc1C(=O)N1CCC([N@H+]2CCOC[C@H]2C)CC1 ZINC000854571632 661940100 /nfs/dbraw/zinc/94/01/00/661940100.db2.gz WTDGKOCRTVAKND-SNVBAGLBSA-N 1 0 388.331 2.539 20 0 GFADRO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1cnn(-c2ccccc2)c1Br ZINC000854654527 661945787 /nfs/dbraw/zinc/94/57/87/661945787.db2.gz LKQLPNKNCYIXTM-DOMZBBRYSA-N 1 0 377.286 2.799 20 0 GFADRO C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1c(Br)nc3n1CCCC3)C2 ZINC000854735673 661952290 /nfs/dbraw/zinc/95/22/90/661952290.db2.gz UWDNJDRKXKEYDV-QGZVFWFLSA-N 1 0 381.318 2.540 20 0 GFADRO C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1cn(C(C)(C)C)nc1Br)C2 ZINC000854736190 661952393 /nfs/dbraw/zinc/95/23/93/661952393.db2.gz CCHSYRSOMBKWJB-QGZVFWFLSA-N 1 0 383.334 2.959 20 0 GFADRO CN(CC[NH+]1CCCCC1)C(=O)[C@@]1(C)CC1(Br)Br ZINC000855032944 661966566 /nfs/dbraw/zinc/96/65/66/661966566.db2.gz FZNKUABDKWSGKN-GFCCVEGCSA-N 1 0 382.140 2.827 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)/C=C/c1ccc(I)o1 ZINC000855163901 661973994 /nfs/dbraw/zinc/97/39/94/661973994.db2.gz DGPJFHVOIGHUTC-OKPNEXGHSA-N 1 0 388.249 2.886 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)/C=C/c2ccc(I)o2)C1 ZINC000855286913 661983128 /nfs/dbraw/zinc/98/31/28/661983128.db2.gz DIILTPXUAAOQDP-ZRQQLDRUSA-N 1 0 388.249 2.886 20 0 GFADRO C[C@@H](CCNC(=O)c1nc(Br)ccc1Br)[NH+](C)C ZINC000855415798 661991274 /nfs/dbraw/zinc/99/12/74/661991274.db2.gz PELSPSPWOQVLKW-QMMMGPOBSA-N 1 0 379.096 2.677 20 0 GFADRO O=C(N[C@H]1CC[N@@H+](C2CCCCC2)C1)c1nccn2c(Br)cnc12 ZINC000855810453 662009065 /nfs/dbraw/zinc/00/90/65/662009065.db2.gz ZNTWWYZPVPFYHR-LBPRGKRZSA-N 1 0 392.301 2.629 20 0 GFADRO CC(C)[C@@H]1CN(C(=O)c2nc(Br)ccc2Br)CC[NH2+]1 ZINC000856488861 662036047 /nfs/dbraw/zinc/03/60/47/662036047.db2.gz GHMDPYIZOADISU-JTQLQIEISA-N 1 0 391.107 2.677 20 0 GFADRO C[C@@H]([NH2+]CCN1C(=O)NC(C)(C)C1=O)c1ccc(C(F)(F)F)nc1Cl ZINC000856780398 662043958 /nfs/dbraw/zinc/04/39/58/662043958.db2.gz HZJMNQAXPLDMJG-MRVPVSSYSA-N 1 0 378.782 2.735 20 0 GFADRO Cn1cc(C[NH2+]C[C@@H](CO)Cc2ccc(F)c(Br)c2)c(Cl)n1 ZINC000856789440 662044238 /nfs/dbraw/zinc/04/42/38/662044238.db2.gz FBSMSHUAUNGLLZ-NSHDSACASA-N 1 0 390.684 2.916 20 0 GFADRO CC[NH+]1CCC(N2CCCN(C(=O)NCC[C@@H]3CC3(Cl)Cl)CC2)CC1 ZINC000856942717 662053025 /nfs/dbraw/zinc/05/30/25/662053025.db2.gz COHJYSATBSBLDR-OAHLLOKOSA-N 1 0 391.387 2.772 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)c1c(Br)nc2n1CCOC2 ZINC000856981269 662056088 /nfs/dbraw/zinc/05/60/88/662056088.db2.gz OBWLQHROAPZHNT-CYBMUJFWSA-N 1 0 399.333 2.560 20 0 GFADRO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NCc1cn(C)nc1Br ZINC000858139285 662100672 /nfs/dbraw/zinc/10/06/72/662100672.db2.gz IMFOVPNIBYSEQP-BBRMVZONSA-N 1 0 378.318 2.578 20 0 GFADRO Cn1ncc(C[NH2+][C@@]2(CO)CCc3cc(Br)ccc3C2)c1Cl ZINC000858240420 662105816 /nfs/dbraw/zinc/10/58/16/662105816.db2.gz LFSYWDIOAZYVDO-INIZCTEOSA-N 1 0 384.705 2.846 20 0 GFADRO Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1C[NH2+]C[C@@H]1COCCN1C ZINC000858275518 662107074 /nfs/dbraw/zinc/10/70/74/662107074.db2.gz BGLUVFSGHUTRKY-MRXNPFEDSA-N 1 0 383.323 2.967 20 0 GFADRO Cn1nc(Cl)c(C(=O)Nc2ccc(CN3CC[NH+](C)CC3)cc2)c1Cl ZINC000858458435 662112363 /nfs/dbraw/zinc/11/23/63/662112363.db2.gz VBNPLDHGPDJDMD-UHFFFAOYSA-N 1 0 382.295 2.727 20 0 GFADRO COC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C[NH3+])C2CCCCC2)cc1Cl ZINC000858609710 662116128 /nfs/dbraw/zinc/11/61/28/662116128.db2.gz YCCYNTTTYCWSAC-HNNXBMFYSA-N 1 0 389.905 2.704 20 0 GFADRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2c(Cl)ccnc2Cl)CC[C@@H]1C(F)(F)F ZINC000858622822 662116827 /nfs/dbraw/zinc/11/68/27/662116827.db2.gz AHHOUPAFZYYYFY-SFYZADRCSA-N 1 0 392.230 2.536 20 0 GFADRO CCC1([NH+]2CCOCC2)CCN(C(=O)NCC[C@@H]2CC2(Cl)Cl)CC1 ZINC000858629166 662117249 /nfs/dbraw/zinc/11/72/49/662117249.db2.gz NDHHPIKAUGALGE-CQSZACIVSA-N 1 0 378.344 2.857 20 0 GFADRO O=C(NC[C@H]1CC[N@@H+]1C1CCCCC1)N1CCn2ncc(Br)c2C1 ZINC000858722598 662120247 /nfs/dbraw/zinc/12/02/47/662120247.db2.gz PJJYEVJMSUKRLU-CQSZACIVSA-N 1 0 396.333 2.578 20 0 GFADRO COC(=O)Nc1ccc(S(=O)(=O)NCCC2CC[NH+](C)CC2)cc1Cl ZINC000858929950 662128017 /nfs/dbraw/zinc/12/80/17/662128017.db2.gz FTUXQGXSIXOUSF-UHFFFAOYSA-N 1 0 389.905 2.529 20 0 GFADRO COC(=O)Nc1ccc(S(=O)(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)cc1Cl ZINC000859052241 662134019 /nfs/dbraw/zinc/13/40/19/662134019.db2.gz BXNHQTNAWATOBQ-RYUDHWBXSA-N 1 0 389.905 2.669 20 0 GFADRO CSc1ccc(/C=C/C(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)s1 ZINC000859079565 662136150 /nfs/dbraw/zinc/13/61/50/662136150.db2.gz UIMXYMQVIUBVJZ-HEWZJLJBSA-N 1 0 381.567 2.542 20 0 GFADRO OC[C@@]1([NH2+]C[C@@H](O)c2ccccc2)CCc2cc(Br)ccc2C1 ZINC000859572623 662167896 /nfs/dbraw/zinc/16/78/96/662167896.db2.gz SBNGIRLCLLOKLE-RTBURBONSA-N 1 0 376.294 2.992 20 0 GFADRO Cn1nc(C(F)(F)F)c(C[NH2+][C@@H]2CCO[C@H]2c2ccc(=O)[nH]c2)c1Cl ZINC000859880411 662177482 /nfs/dbraw/zinc/17/74/82/662177482.db2.gz MKQMOGQPPWYXSB-PWSUYJOCSA-N 1 0 376.766 2.813 20 0 GFADRO COC(=O)Cn1cc(C[N@@H+]2C[C@H](c3ccc(Br)cc3)C[C@H]2C)nn1 ZINC000859961318 662180471 /nfs/dbraw/zinc/18/04/71/662180471.db2.gz WVVIQFXWTRFNLL-TZMCWYRMSA-N 1 0 393.285 2.592 20 0 GFADRO CS[C@H]1CN(C(=O)c2cccc(N=S(C)(C)=O)c2)C[C@@H]1[NH+]1CCCC1 ZINC000860787861 662215579 /nfs/dbraw/zinc/21/55/79/662215579.db2.gz OAIXGCZQLJZZAY-IRXDYDNUSA-N 1 0 381.567 2.698 20 0 GFADRO CCN(CC[NH3+])C(=O)C(=O)Nc1ccccc1SC[C@@H]1CC1(Cl)Cl ZINC000861511922 662248677 /nfs/dbraw/zinc/24/86/77/662248677.db2.gz UMAYKYXXKKAMOB-NSHDSACASA-N 1 0 390.336 2.718 20 0 GFADRO C[C@@H]1CC[C@H](NC(=O)C(=O)Nc2cccc(Cl)c2SC(F)F)C[NH2+]1 ZINC000861523405 662248868 /nfs/dbraw/zinc/24/88/68/662248868.db2.gz GTHMHHFSDIFWOZ-BDAKNGLRSA-N 1 0 377.844 2.850 20 0 GFADRO C[C@@H]([NH3+])CN(C)C(=O)NCCOc1ccc(Br)cc1C(F)(F)F ZINC000861615454 662251070 /nfs/dbraw/zinc/25/10/70/662251070.db2.gz OFMICPZVVHIOSX-SECBINFHSA-N 1 0 398.223 2.835 20 0 GFADRO CCCOC[C@@H](Cc1cccc(Br)c1)NC(=O)N(C)C[C@H](C)[NH3+] ZINC000861618097 662251703 /nfs/dbraw/zinc/25/17/03/662251703.db2.gz PLQTYBVPIWOUOJ-XJKSGUPXSA-N 1 0 386.334 2.775 20 0 GFADRO C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)Nc2cccc(SC(F)(F)F)c2)C1 ZINC000861750431 662257287 /nfs/dbraw/zinc/25/72/87/662257287.db2.gz JSNAJEPGENUKDN-NSHDSACASA-N 1 0 375.416 2.695 20 0 GFADRO CC[C@@](C[NH2+]Cc1cn(C)nc1Br)(C(=O)OC)c1ccccc1 ZINC000862396677 662284730 /nfs/dbraw/zinc/28/47/30/662284730.db2.gz WCPJQDHUOCLMNI-KRWDZBQOSA-N 1 0 380.286 2.793 20 0 GFADRO C[C@H](C[C@H](C)NC(=O)OC(C)(C)C)[NH2+]Cc1cn(C)nc1Br ZINC000862398363 662285017 /nfs/dbraw/zinc/28/50/17/662285017.db2.gz GNAJUTCRFSJNJA-MNOVXSKESA-N 1 0 375.311 2.964 20 0 GFADRO COC(=O)c1cn(CN2CC[C@H](Sc3ccc(Br)cc3)C2)nn1 ZINC000863279772 662317795 /nfs/dbraw/zinc/31/77/95/662317795.db2.gz AWQDWMLHOHYURR-ZDUSSCGKSA-N 1 0 397.298 2.651 20 0 GFADRO COC(=O)c1c2cnn(C[N@H+](C)CC3(C)COC3)c2ccc1Br ZINC000863297182 662318877 /nfs/dbraw/zinc/31/88/77/662318877.db2.gz VPFHTHRFKHDKSX-UHFFFAOYSA-N 1 0 382.258 2.511 20 0 GFADRO CCC1([NH+]2CCOCC2)CCN(C(=O)c2nc(Br)cs2)CC1 ZINC000863492189 662334736 /nfs/dbraw/zinc/33/47/36/662334736.db2.gz NELQZOHILINKKB-UHFFFAOYSA-N 1 0 388.331 2.623 20 0 GFADRO C[C@]1(Cc2noc(-c3nnn([C@H]4CC[NH2+]C4)c3C(F)F)n2)CC1(Cl)Cl ZINC000863678367 662343931 /nfs/dbraw/zinc/34/39/31/662343931.db2.gz SUAAESLBCRIUFD-CPFSXVBKSA-N 1 0 393.225 2.927 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)c2cc(Br)cnc2F)CC[C@@H]1C(F)(F)F ZINC000864086949 662354083 /nfs/dbraw/zinc/35/40/83/662354083.db2.gz LVSRLSDLPVKMIR-XCBNKYQSSA-N 1 0 384.171 2.583 20 0 GFADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1oc2ccccc2c1Br ZINC000865061094 662396784 /nfs/dbraw/zinc/39/67/84/662396784.db2.gz VEMYYJSZQQUMCX-NWDGAFQWSA-N 1 0 379.254 2.788 20 0 GFADRO O=C(c1ccc(I)cc1O)N1CCC[C@H](c2ncc[nH]2)C1 ZINC000865140373 662400753 /nfs/dbraw/zinc/40/07/53/662400753.db2.gz FFHWZRAEGBMZKG-JTQLQIEISA-N 1 0 397.216 2.740 20 0 GFADRO C[NH+]1CCC(NC(=S)N[C@@H]2[C@H]3Cc4c(cccc4Br)[C@@H]23)CC1 ZINC000865243744 662407588 /nfs/dbraw/zinc/40/75/88/662407588.db2.gz XHDKCNRNSFYGJK-NUEKZKHPSA-N 1 0 380.355 2.646 20 0 GFADRO Cc1ccc(C[NH2+]C2CCN(S(C)(=O)=O)CC2)c(C)c1Br ZINC000865410123 662419563 /nfs/dbraw/zinc/41/95/63/662419563.db2.gz IRGBZOZZZRLONK-UHFFFAOYSA-N 1 0 375.332 2.580 20 0 GFADRO CC[NH+]1CCN(c2ccc(CNCc3cccnc3Br)cn2)CC1 ZINC000865414817 662419842 /nfs/dbraw/zinc/41/98/42/662419842.db2.gz DNAULMGWZBMXNK-UHFFFAOYSA-N 1 0 390.329 2.671 20 0 GFADRO CC(=O)NCC1CCC([NH2+]CC(=O)Nc2ccc(Br)c(C)c2)CC1 ZINC000865458301 662422653 /nfs/dbraw/zinc/42/26/53/662422653.db2.gz HODDHIJXXXZICK-UHFFFAOYSA-N 1 0 396.329 2.981 20 0 GFADRO C[C@@H](C[NH2+]Cc1cn(C[C@H]2CCCO2)nn1)Oc1cccc(Br)c1 ZINC000865478694 662424190 /nfs/dbraw/zinc/42/41/90/662424190.db2.gz LYBQFQIOHFVQQI-SUMWQHHRSA-N 1 0 395.301 2.777 20 0 GFADRO CC(C)(C)OC(=O)N[C@@H](C[NH2+]Cc1ccc(S(C)(=O)=O)s1)CC(F)F ZINC000865540267 662427870 /nfs/dbraw/zinc/42/78/70/662427870.db2.gz ITBVCGXXMFFMBK-SNVBAGLBSA-N 1 0 398.497 2.790 20 0 GFADRO CCC[C@H]([NH2+]Cc1ccc(Cl)c(S(N)(=O)=O)c1)[C@@H](O)c1ccccc1 ZINC000865548576 662428534 /nfs/dbraw/zinc/42/85/34/662428534.db2.gz JATPKRRGWIRRSC-WMZOPIPTSA-N 1 0 382.913 2.979 20 0 GFADRO CC(C)n1ncc(C(=O)N(CC[NH+](C)C)Cc2ccccn2)c1Br ZINC000865560796 662429199 /nfs/dbraw/zinc/42/91/99/662429199.db2.gz DSTGOLYDMXUDSV-UHFFFAOYSA-N 1 0 394.317 2.826 20 0 GFADRO Cc1nn2c(C[NH2+][C@H]3C[C@H](S(=O)(=O)c4ccccc4)C3)c(C)nc2s1 ZINC000865766643 662442068 /nfs/dbraw/zinc/44/20/68/662442068.db2.gz GZMFTYACNJBMPQ-CTYIDZIISA-N 1 0 376.507 2.502 20 0 GFADRO O=C1OC[C@]2(C[NH2+]Cc3csc(-c4ccc(Cl)cc4)n3)COCCN12 ZINC000865768536 662442262 /nfs/dbraw/zinc/44/22/62/662442262.db2.gz KRJOFFMNOGJXKJ-KRWDZBQOSA-N 1 0 379.869 2.774 20 0 GFADRO COCCCn1nccc1C[NH2+][C@@H]1COc2cccc(Br)c2C1 ZINC000865820147 662445622 /nfs/dbraw/zinc/44/56/22/662445622.db2.gz AIZSXDBVKWFMPG-ZDUSSCGKSA-N 1 0 380.286 2.775 20 0 GFADRO NS(=O)(=O)c1cc(Br)ccc1N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000865918137 662451324 /nfs/dbraw/zinc/45/13/24/662451324.db2.gz BKCWWNIOLFCKTD-JSGCOSHPSA-N 1 0 388.331 2.525 20 0 GFADRO OCc1ccc(NCC2CC[NH+](C3CCOCC3)CC2)nc1Br ZINC000865930168 662452093 /nfs/dbraw/zinc/45/20/93/662452093.db2.gz KXCCZLZGNJYRRZ-UHFFFAOYSA-N 1 0 384.318 2.639 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc(Br)cn3ccnc23)[C@H](C)C1 ZINC000866048512 662458208 /nfs/dbraw/zinc/45/82/08/662458208.db2.gz CETBIWWARWKNBJ-DOMZBBRYSA-N 1 0 379.302 2.899 20 0 GFADRO CN1CC[NH+](C2CCN(c3ccc([S@@](=O)C(F)(F)F)cc3)CC2)CC1 ZINC000866210701 662464627 /nfs/dbraw/zinc/46/46/27/662464627.db2.gz BCQXVSIIAZZYLQ-RUZDIDTESA-N 1 0 375.460 2.530 20 0 GFADRO C[C@@H]1CCc2ccc(F)cc2[C@H]1[NH2+]C[C@@H](O)CS(=O)(=O)c1cccs1 ZINC000866310043 662467691 /nfs/dbraw/zinc/46/76/91/662467691.db2.gz SHXYXOVRALEHJX-DWQUBVKVSA-N 1 0 383.510 2.935 20 0 GFADRO C/C(=C\c1ccc(Br)o1)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000866381610 662469604 /nfs/dbraw/zinc/46/96/04/662469604.db2.gz RZDCWCQYITVUSG-UELRPHRMSA-N 1 0 383.286 2.626 20 0 GFADRO Cc1cc(Br)cc2c1[C@H]([NH2+]C[C@]13COC(=O)N1CCOC3)CC2 ZINC000866521333 662478690 /nfs/dbraw/zinc/47/86/90/662478690.db2.gz LOUYKYQPNSUOHJ-PBHICJAKSA-N 1 0 381.270 2.556 20 0 GFADRO CC(C)n1ncc(C(=O)N2CC[C@@H](OCC[NH+]3CCCC3)C2)c1Br ZINC000866654747 662487482 /nfs/dbraw/zinc/48/74/82/662487482.db2.gz MBVWPIUWUKKABK-CQSZACIVSA-N 1 0 399.333 2.553 20 0 GFADRO O=S(=O)(c1ccc2ccnc(Cl)c2c1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000866764843 662495689 /nfs/dbraw/zinc/49/56/89/662495689.db2.gz RAPMTYQURZETEZ-OAHLLOKOSA-N 1 0 379.913 2.898 20 0 GFADRO C[C@H](NC(=O)c1cnn(CC[NH+](C)C)c1)[C@H](O)c1c(Cl)cccc1Cl ZINC000866789889 662498978 /nfs/dbraw/zinc/49/89/78/662498978.db2.gz OSOSNLVXWAECEI-ZBEGNZNMSA-N 1 0 385.295 2.603 20 0 GFADRO CN(Cc1c(F)cccc1Cl)S(=O)(=O)N1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866814821 662501323 /nfs/dbraw/zinc/50/13/23/662501323.db2.gz VKCVLGILIHLRFN-KRWDZBQOSA-N 1 0 391.940 2.853 20 0 GFADRO CC(C)(C)[C@@]1(C[NH3+])CCN(S(=O)(=O)c2cc(F)ccc2OC(F)F)C1 ZINC000866813915 662501424 /nfs/dbraw/zinc/50/14/24/662501424.db2.gz GLNLCRXEBVOJFL-MRXNPFEDSA-N 1 0 380.432 2.813 20 0 GFADRO O=S(=O)(c1cccc(Br)c1Cl)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000866822785 662502108 /nfs/dbraw/zinc/50/21/08/662502108.db2.gz CXYSUXXVKKTJAA-QWRGUYRKSA-N 1 0 379.707 2.618 20 0 GFADRO C[NH+](C)CCN(Cc1cccs1)S(=O)(=O)c1ccc(Cl)nc1F ZINC000866937808 662510073 /nfs/dbraw/zinc/51/00/73/662510073.db2.gz KIOXZRHMGLULMK-UHFFFAOYSA-N 1 0 377.894 2.688 20 0 GFADRO C[C@]1(CS(=O)(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CC1(Cl)Cl ZINC000866993539 662515220 /nfs/dbraw/zinc/51/52/20/662515220.db2.gz FHZFGQAZASOZMO-BPLDGKMQSA-N 1 0 381.369 2.849 20 0 GFADRO Cc1cc(C[NH+](C)C)cc(NC(=O)Cn2ccc(Br)cc2=O)c1 ZINC000867021357 662517213 /nfs/dbraw/zinc/51/72/13/662517213.db2.gz XQFSAZNGBQUHDS-UHFFFAOYSA-N 1 0 378.270 2.620 20 0 GFADRO C[NH+](C)CCOCCNC(=O)c1ccc(OC(F)(F)F)cc1Br ZINC000867241079 662534933 /nfs/dbraw/zinc/53/49/33/662534933.db2.gz HBDXXJWQIDCMTE-UHFFFAOYSA-N 1 0 399.207 2.656 20 0 GFADRO C[NH+](C)C1(C)CCC(NS(=O)(=O)c2c(Cl)nc3sccn32)CC1 ZINC000867744569 662571902 /nfs/dbraw/zinc/57/19/02/662571902.db2.gz YQNIUUFTFNJTRA-UHFFFAOYSA-N 1 0 376.935 2.590 20 0 GFADRO Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)[C@@H]([NH3+])c1cccc(Br)c1 ZINC000867941149 662588425 /nfs/dbraw/zinc/58/84/25/662588425.db2.gz CCWJHNFPCXPKEV-HWPZZCPQSA-N 1 0 379.302 2.547 20 0 GFADRO C[C@H](NC(=O)Cc1csc(NC(=O)c2cccs2)n1)C1CC[NH2+]CC1 ZINC000868011903 662591508 /nfs/dbraw/zinc/59/15/08/662591508.db2.gz AQYFKWVSDHCVHB-NSHDSACASA-N 1 0 378.523 2.504 20 0 GFADRO COCCC1(NC(=O)[C@H]2[C@@H]3c4cc(Br)ccc4C[C@H]23)CC[NH2+]CC1 ZINC000868043704 662592370 /nfs/dbraw/zinc/59/23/70/662592370.db2.gz RDJKECGDTJFRNP-GVDBMIGSSA-N 1 0 393.325 2.610 20 0 GFADRO COCCC1(NC(=O)[C@@H]2CCc3cc(Br)ccc32)CC[NH2+]CC1 ZINC000868043354 662592392 /nfs/dbraw/zinc/59/23/92/662592392.db2.gz GVYZGMHUAGMGNU-MRXNPFEDSA-N 1 0 381.314 2.754 20 0 GFADRO COCCC1(NC(=O)c2cc3c(cncc3Br)s2)CC[NH2+]CC1 ZINC000868044052 662592425 /nfs/dbraw/zinc/59/24/25/662592425.db2.gz XVDJKRBQAIJJLM-UHFFFAOYSA-N 1 0 398.326 2.947 20 0 GFADRO C[C@]1([NH3+])CCN(C(=O)c2cccc(NC(=O)c3ccc(Br)o3)c2)C1 ZINC000868074742 662593714 /nfs/dbraw/zinc/59/37/14/662593714.db2.gz RCPNERKSYDBXGV-KRWDZBQOSA-N 1 0 392.253 2.858 20 0 GFADRO C[C@]1([NH3+])CCN(C(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)c(Cl)c3)C2)C1 ZINC000868074630 662593748 /nfs/dbraw/zinc/59/37/48/662593748.db2.gz NUKVVHRPFNHLAI-ACJLOTCBSA-N 1 0 384.307 2.795 20 0 GFADRO COC(=O)c1cc(Br)ccc1NC(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000868136707 662595634 /nfs/dbraw/zinc/59/56/34/662595634.db2.gz QXIYWJBYMYXLDC-ZIAGYGMSSA-N 1 0 382.258 2.594 20 0 GFADRO COC(=O)c1cc(Br)ccc1NC(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000868136706 662595657 /nfs/dbraw/zinc/59/56/57/662595657.db2.gz QXIYWJBYMYXLDC-UONOGXRCSA-N 1 0 382.258 2.594 20 0 GFADRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1cc(Br)cn2ccnc12 ZINC000868335669 662602171 /nfs/dbraw/zinc/60/21/71/662602171.db2.gz MPDRDQLJLBBTNC-SWLSCSKDSA-N 1 0 377.286 2.796 20 0 GFADRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)c3cc(F)c(Br)cc3F)[C@H]2C1 ZINC000868569260 662610145 /nfs/dbraw/zinc/61/01/45/662610145.db2.gz CMLOIVVLVRHSSL-LSDHHAIUSA-N 1 0 389.240 2.663 20 0 GFADRO C[N@@H+]1CC[C@H]2CN(C(=O)N[C@@H]3[C@H]4Cc5cc(Br)ccc5[C@@H]34)CC[C@H]21 ZINC000868910588 662624541 /nfs/dbraw/zinc/62/45/41/662624541.db2.gz VKUPSZKDHAKUFZ-RNEPWOLLSA-N 1 0 390.325 2.823 20 0 GFADRO CCC[N@H+](C)C[C@H]1CCN(C(=O)NCc2ncc(Br)s2)C1 ZINC000869194190 662634220 /nfs/dbraw/zinc/63/42/20/662634220.db2.gz HZVYURFSGNBRLN-LLVKDONJSA-N 1 0 375.336 2.779 20 0 GFADRO O=C(NCc1ncc(Br)s1)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000869196559 662634827 /nfs/dbraw/zinc/63/48/27/662634827.db2.gz MXJMNZRPNIMHCI-LBPRGKRZSA-N 1 0 387.347 2.827 20 0 GFADRO COCCN(CC1CC[NH+](C)CC1)C(=O)c1ccc(OC)c(Br)c1 ZINC000869768721 662660554 /nfs/dbraw/zinc/66/05/54/662660554.db2.gz LTXCITMISJQZQY-UHFFFAOYSA-N 1 0 399.329 2.888 20 0 GFADRO CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)C(C)(C)c2cccc(Br)c2)C1 ZINC000869781482 662661804 /nfs/dbraw/zinc/66/18/04/662661804.db2.gz PYYUPWSQOOSKSF-HNNXBMFYSA-N 1 0 383.330 2.688 20 0 GFADRO Cn1ncc(Br)c1CNC(=O)c1cccc([C@H]2CCC[N@H+](C)C2)c1 ZINC000870314349 662683592 /nfs/dbraw/zinc/68/35/92/662683592.db2.gz IWKJQRZXVBAYMV-HNNXBMFYSA-N 1 0 391.313 2.922 20 0 GFADRO CC(=O)N[C@H](C(=O)O[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1cccc(Br)c1 ZINC000870343493 662685827 /nfs/dbraw/zinc/68/58/27/662685827.db2.gz LSURZQAWAFHCHC-BBWFWOEESA-N 1 0 395.297 2.796 20 0 GFADRO Cc1c(Br)c(COC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)nn1C ZINC000870513780 662693601 /nfs/dbraw/zinc/69/36/01/662693601.db2.gz RQSRTNSMLWDDSO-OAHLLOKOSA-N 1 0 376.270 2.747 20 0 GFADRO CCC1([NH+](C)C)CCN(C(=O)CN2C(=S)N=NC2c2cccs2)CC1 ZINC000870572352 662694826 /nfs/dbraw/zinc/69/48/26/662694826.db2.gz LLCQFVPXJCBIBR-UHFFFAOYSA-N 1 0 379.555 2.628 20 0 GFADRO [NH3+][C@H]1CC[C@@H](C(=O)N2CCN(Cc3ccc(Br)s3)CC2)CC1 ZINC000870855454 662703556 /nfs/dbraw/zinc/70/35/56/662703556.db2.gz SEVCEUPIMNKHQK-BETUJISGSA-N 1 0 386.359 2.672 20 0 GFADRO C[NH+]1CCC(C(=O)Nc2ccc(N3CC[C@H](CO)C3)c(Br)c2)CC1 ZINC000870890046 662706455 /nfs/dbraw/zinc/70/64/55/662706455.db2.gz FXPTWJCMHYWWQL-ZDUSSCGKSA-N 1 0 396.329 2.548 20 0 GFADRO C[NH+](C)CCCCC(=O)Nc1ccc(N2CC[C@@H](CO)C2)c(Br)c1 ZINC000870890480 662706568 /nfs/dbraw/zinc/70/65/68/662706568.db2.gz TWRBMAIAHPQRTK-CQSZACIVSA-N 1 0 398.345 2.938 20 0 GFADRO O=C(NC[C@@H](O)c1c(F)cccc1Cl)c1csc(C2CC[NH2+]CC2)n1 ZINC000870891580 662706908 /nfs/dbraw/zinc/70/69/08/662706908.db2.gz GAUACXVEFVWJKK-CQSZACIVSA-N 1 0 383.876 2.866 20 0 GFADRO O=C(c1cc(Br)cn2ccnc12)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000870914764 662708094 /nfs/dbraw/zinc/70/80/94/662708094.db2.gz SUXCSZRFPPKAOK-UONOGXRCSA-N 1 0 391.313 2.949 20 0 GFADRO [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)NCc2cc(Br)ccc2Br)C1 ZINC000870923784 662708475 /nfs/dbraw/zinc/70/84/75/662708475.db2.gz GPDCRCIJSBRQGE-DRCTWCGVSA-N 1 0 388.103 2.955 20 0 GFADRO O=C(CCC12CC(C1)C[NH2+]2)N1CCOC[C@H]1c1ccc(Br)cc1 ZINC000870953972 662711522 /nfs/dbraw/zinc/71/15/22/662711522.db2.gz WBCXGSOIZBJYDE-MNQCNDSGSA-N 1 0 379.298 2.881 20 0 GFADRO [NH3+][C@H]1C[C@@H](CNC(=O)c2ccc(NC(=O)c3ccc(Br)o3)cc2)C1 ZINC000870968097 662711691 /nfs/dbraw/zinc/71/16/91/662711691.db2.gz LPHQTJKEYVQEGA-KLPPZKSPSA-N 1 0 392.253 2.762 20 0 GFADRO C[C@H](NC(=O)[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)C1CC[NH2+]CC1 ZINC000870987477 662712362 /nfs/dbraw/zinc/71/23/62/662712362.db2.gz IZCRSDMFWTYNKE-SMDDNHRTSA-N 1 0 384.307 2.851 20 0 GFADRO C[C@H](NC(=O)CNC(=O)c1sc2ccccc2c1Cl)C1CC[NH2+]CC1 ZINC000870987999 662712410 /nfs/dbraw/zinc/71/24/10/662712410.db2.gz YZPKLDYZLNTOHD-NSHDSACASA-N 1 0 379.913 2.789 20 0 GFADRO [NH3+]C[C@@H]1CCN(S(=O)(=O)c2c(Cl)nc3sccn32)c2ccccc21 ZINC000871597625 662727327 /nfs/dbraw/zinc/72/73/27/662727327.db2.gz SZKWSMKZZKHWGD-JTQLQIEISA-N 1 0 382.898 2.691 20 0 GFADRO [NH3+]C[C@H]1CN(S(=O)(=O)c2cc(Cl)cc(Cl)c2)C[C@@H]1C(F)(F)F ZINC000871811483 662734954 /nfs/dbraw/zinc/73/49/54/662734954.db2.gz PCZIUIVYBRJPHE-CPCISQLKSA-N 1 0 377.215 2.751 20 0 GFADRO Cc1c2cc(F)ccc2oc1S(=O)(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000871813139 662735238 /nfs/dbraw/zinc/73/52/38/662735238.db2.gz GGONICQRSHVUET-JOYOIKCWSA-N 1 0 380.363 2.638 20 0 GFADRO O=S(=O)(N[C@H]1CCCCC12CC[NH2+]CC2)c1cnccc1C(F)(F)F ZINC000871818008 662735891 /nfs/dbraw/zinc/73/58/91/662735891.db2.gz JUZRCEQFNJMKOS-AWEZNQCLSA-N 1 0 377.432 2.691 20 0 GFADRO CCOC(=O)[C@@H](C)C1C[NH+](C[C@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000871993773 662750042 /nfs/dbraw/zinc/75/00/42/662750042.db2.gz QBALTKPSBSAOKC-FZMZJTMJSA-N 1 0 376.280 2.864 20 0 GFADRO Brc1cccc([C@@H]([NH2+]CCCN2CCOCC2)[C@@H]2CCOC2)c1 ZINC000872017296 662753931 /nfs/dbraw/zinc/75/39/31/662753931.db2.gz YXYVIMRUMJRDMK-SJLPKXTDSA-N 1 0 383.330 2.839 20 0 GFADRO CCc1nncn1CC[NH2+][C@H](c1cccc(Br)c1)[C@@H]1CCOC1 ZINC000872039753 662754453 /nfs/dbraw/zinc/75/44/53/662754453.db2.gz VEXMHCBUOUKGMB-RHSMWYFYSA-N 1 0 379.302 2.970 20 0 GFADRO C[C@@H](CC(=O)Nc1cccnc1Cl)[NH2+]CCn1ccc(C(F)(F)F)n1 ZINC000872110990 662756265 /nfs/dbraw/zinc/75/62/65/662756265.db2.gz WFQYZGCJKBFNEE-JTQLQIEISA-N 1 0 375.782 2.957 20 0 GFADRO [NH3+]C[C@@H]1CN(Cc2cc3c(c(Br)c2)OCO3)C[C@H]1C(F)(F)F ZINC000872148913 662756567 /nfs/dbraw/zinc/75/65/67/662756567.db2.gz LKXPQCRJBPGDHX-NXEZZACHSA-N 1 0 381.192 2.747 20 0 GFADRO COc1ccc(Br)cc1C1(c2noc([C@]3(C)C[NH2+]CCO3)n2)CC1 ZINC000872183201 662757530 /nfs/dbraw/zinc/75/75/30/662757530.db2.gz CKHKMQFHQDXNDH-INIZCTEOSA-N 1 0 394.269 2.756 20 0 GFADRO O[C@@H](C[NH2+]C[C@@H](n1cncn1)C(F)(F)F)c1ccc(F)c(Br)c1 ZINC000872220232 662758301 /nfs/dbraw/zinc/75/83/01/662758301.db2.gz LRSBPACYYOKNTM-NWDGAFQWSA-N 1 0 397.170 2.606 20 0 GFADRO CN(CC(=O)Nc1ccccc1Br)C(=O)[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000872260231 662759304 /nfs/dbraw/zinc/75/93/04/662759304.db2.gz PZXTTWJALFZMOQ-OCCSQVGLSA-N 1 0 382.302 2.754 20 0 GFADRO O=C(C[NH2+][C@]12CCC[C@H]1OCC2)Nc1cccc(I)c1 ZINC000872312724 662760097 /nfs/dbraw/zinc/76/00/97/662760097.db2.gz CAVOSOZXJLTGQI-HIFRSBDPSA-N 1 0 386.233 2.531 20 0 GFADRO Cc1nc(-c2ccc(Br)cc2)nn1CN1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000872724671 662786693 /nfs/dbraw/zinc/78/66/93/662786693.db2.gz XAZBHTRTYZINJD-RDJZCZTQSA-N 1 0 390.329 3.000 20 0 GFADRO C[C@@H](CN1CCCC1=O)[NH2+]Cc1cccc(F)c1I ZINC000873017307 662796403 /nfs/dbraw/zinc/79/64/03/662796403.db2.gz ZKTMKTUMJYDLNQ-JTQLQIEISA-N 1 0 376.213 2.531 20 0 GFADRO O=C(CCC[NH2+]Cc1cccc(F)c1I)NC1CC1 ZINC000873014125 662796422 /nfs/dbraw/zinc/79/64/22/662796422.db2.gz LXSNMIJZPPSJFM-UHFFFAOYSA-N 1 0 376.213 2.579 20 0 GFADRO Fc1cccc(C[NH2+]CCCO[C@H]2CCOC2)c1I ZINC000873075004 662798812 /nfs/dbraw/zinc/79/88/12/662798812.db2.gz PQTCCOALIRFUJT-LBPRGKRZSA-N 1 0 379.213 2.716 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)C[C@@H]1C(F)(F)F ZINC000873105229 662800033 /nfs/dbraw/zinc/80/00/33/662800033.db2.gz TZTZIWPKFNPARI-APPZFPTMSA-N 1 0 384.185 2.528 20 0 GFADRO CN(CCCCCC[NH3+])C(=O)C(=O)Nc1cc(F)c(Br)cc1F ZINC000873110001 662800038 /nfs/dbraw/zinc/80/00/38/662800038.db2.gz IIAOONWRYIYCNS-UHFFFAOYSA-N 1 0 392.244 2.643 20 0 GFADRO Nc1cnc(C[NH+]2CCC(C(=O)Nc3cccc(Br)c3)CC2)cn1 ZINC000873208895 662803976 /nfs/dbraw/zinc/80/39/76/662803976.db2.gz XHWNUXQYOLERGR-UHFFFAOYSA-N 1 0 390.285 2.672 20 0 GFADRO COc1cc(Br)c(CN2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)cc1O ZINC000873227814 662804261 /nfs/dbraw/zinc/80/42/61/662804261.db2.gz MDEPAKPULBANHS-ZJUUUORDSA-N 1 0 383.208 2.732 20 0 GFADRO Cc1cc(I)ccc1NC(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000873297361 662804971 /nfs/dbraw/zinc/80/49/71/662804971.db2.gz ATKLWVLLPZUGNV-XHDPSFHLSA-N 1 0 385.249 2.673 20 0 GFADRO O=C(Nc1cc2c(cc1Br)OCCO2)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000873300599 662804987 /nfs/dbraw/zinc/80/49/87/662804987.db2.gz XZFSODJVJQEOFZ-ZBFHGGJFSA-N 1 0 382.258 2.626 20 0 GFADRO COc1cc(NC(=O)N[C@]23CCC[C@@H]2[NH2+]CC3)cc(OC)c1Br ZINC000873315206 662805221 /nfs/dbraw/zinc/80/52/21/662805221.db2.gz OUKKMAQJTXJNFP-BBRMVZONSA-N 1 0 384.274 2.872 20 0 GFADRO Cc1csc([C@H](NC(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)C(F)(F)F)n1 ZINC000873329549 662805659 /nfs/dbraw/zinc/80/56/59/662805659.db2.gz WWDCTOUAAVSGQM-VGMNWLOBSA-N 1 0 390.353 2.834 20 0 GFADRO C[N@@H+]1CCCC[C@@H](CNC(=O)C(=O)Nc2cc(Cl)cc(Cl)c2F)C1 ZINC000873954081 662819686 /nfs/dbraw/zinc/81/96/86/662819686.db2.gz AXOKZJCJINQUPK-JTQLQIEISA-N 1 0 376.259 2.919 20 0 GFADRO C[N@@H+]1CCC[C@H]2[C@H]1CCN2C(=O)C(=O)Nc1nc(-c2cccs2)cs1 ZINC000874370370 662830251 /nfs/dbraw/zinc/83/02/51/662830251.db2.gz XOKZGVBNWZDFIA-OLZOCXBDSA-N 1 0 376.507 2.505 20 0 GFADRO COc1cc(C(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3C)cc(Br)c1OC ZINC000874826637 662837403 /nfs/dbraw/zinc/83/74/03/662837403.db2.gz AXWRNSYSKQHQTH-KBPBESRZSA-N 1 0 383.286 2.775 20 0 GFADRO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)Cc1noc2ccc(Br)cc21 ZINC000874824987 662837409 /nfs/dbraw/zinc/83/74/09/662837409.db2.gz NGMGEVZQCPOCEW-LSDHHAIUSA-N 1 0 378.270 2.828 20 0 GFADRO CC(=O)c1cc(Br)ccc1OCC(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2C ZINC000874826554 662837421 /nfs/dbraw/zinc/83/74/21/662837421.db2.gz ABBFBHSZYLVDCG-HOTGVXAUSA-N 1 0 395.297 2.726 20 0 GFADRO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)c1cnnn1-c1c(Cl)cccc1Cl ZINC000874831436 662837787 /nfs/dbraw/zinc/83/77/87/662837787.db2.gz XYFOLVSQKMRPEQ-ZIAGYGMSSA-N 1 0 380.279 2.883 20 0 GFADRO Cc1cc(NC(=O)[C@H]2CC[N@@H+](C)C[C@H]2c2cnn(C)c2)ncc1Br ZINC000875416641 662845717 /nfs/dbraw/zinc/84/57/17/662845717.db2.gz AXRGBEGYFLVHPF-KBPBESRZSA-N 1 0 392.301 2.560 20 0 GFADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)OCc2ccccc2Br)cn1 ZINC000875435275 662846012 /nfs/dbraw/zinc/84/60/12/662846012.db2.gz UFTNUYCMNAWHGD-HOTGVXAUSA-N 1 0 392.297 2.961 20 0 GFADRO C[C@]1(Br)C[C@H]1C(=O)Nc1ccc(C(=O)OC2CC[NH2+]CC2)cc1 ZINC000876518681 662862345 /nfs/dbraw/zinc/86/23/45/662862345.db2.gz JHLVLZMLVJGFQG-YOEHRIQHSA-N 1 0 381.270 2.707 20 0 GFADRO Cc1cnn([C@H]2CCC[NH2+]C2)c1C(=O)NCCc1ccc(Br)cc1 ZINC000876580886 662863052 /nfs/dbraw/zinc/86/30/52/662863052.db2.gz TXWZPPUFCAHYEP-INIZCTEOSA-N 1 0 391.313 2.851 20 0 GFADRO COc1ccccc1OCC[N@H+](C)Cc1ccc(S(N)(=O)=O)c(Cl)c1 ZINC000876612941 662863427 /nfs/dbraw/zinc/86/34/27/662863427.db2.gz CEHRYRXPPNQYIN-UHFFFAOYSA-N 1 0 384.885 2.507 20 0 GFADRO CNC(=O)c1ccc(NC(=O)c2csc(C3CC[NH2+]CC3)n2)cc1Cl ZINC000876611073 662863450 /nfs/dbraw/zinc/86/34/50/662863450.db2.gz PZGABMVPUOOYDR-UHFFFAOYSA-N 1 0 378.885 2.875 20 0 GFADRO O=C(NCc1cc(Br)ccc1OC(F)F)[C@@H](F)[C@H]1CC[NH2+]C1 ZINC000876636029 662863902 /nfs/dbraw/zinc/86/39/02/662863902.db2.gz AVGRRGVNBJRDIP-UFBFGSQYSA-N 1 0 381.192 2.614 20 0 GFADRO O=C(/C=C\[C@@H]1CCC[NH2+]C1)N[C@@H]1CCN(c2ccccc2Br)C1 ZINC000876764894 662866068 /nfs/dbraw/zinc/86/60/68/662866068.db2.gz XHLXRXXQLGYKFR-PRQMKSPXSA-N 1 0 378.314 2.700 20 0 GFADRO CN(CC(F)F)C1CCN(C(=O)[C@@H]([NH3+])c2cccc(Br)c2)CC1 ZINC000876774866 662866123 /nfs/dbraw/zinc/86/61/23/662866123.db2.gz JFLRHXZBNIKHAW-HNNXBMFYSA-N 1 0 390.272 2.637 20 0 GFADRO C[C@@H]([NH3+])C[C@H](C)NC(=O)c1c(F)ccc(I)c1Cl ZINC000876934281 662868399 /nfs/dbraw/zinc/86/83/99/662868399.db2.gz GGENLDDJJHMLGE-RQJHMYQMSA-N 1 0 384.620 2.939 20 0 GFADRO CCn1cnnc1C[NH2+][C@H]1CCN(C)[C@@H](c2ccc(Br)cc2)C1 ZINC000876935493 662868404 /nfs/dbraw/zinc/86/84/04/662868404.db2.gz SWHXSZSEXKFAFK-JKSUJKDBSA-N 1 0 378.318 2.986 20 0 GFADRO CCO[P@@](C)(=O)CC[C@@H](C)[NH2+]Cc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000876938339 662868428 /nfs/dbraw/zinc/86/84/28/662868428.db2.gz AEFLQJPKELZBSJ-QKFKETGDSA-N 1 0 376.459 2.750 20 0 GFADRO COC(=O)c1ccc(C[NH2+]CCNC(=O)c2cccs2)cc1Br ZINC000876941543 662868453 /nfs/dbraw/zinc/86/84/53/662868453.db2.gz NFSRKWIOEQELIO-UHFFFAOYSA-N 1 0 397.294 2.817 20 0 GFADRO Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)N(C)Cc1ccc(Br)o1 ZINC000876943808 662868484 /nfs/dbraw/zinc/86/84/84/662868484.db2.gz VHQSCTQDSARRPX-GFCCVEGCSA-N 1 0 381.274 2.744 20 0 GFADRO CCO[P@](C)(=O)CC[C@@H](C)[NH2+][C@H](C)c1ccc(S(=O)(=O)NC)cc1 ZINC000876969049 662868823 /nfs/dbraw/zinc/86/88/23/662868823.db2.gz WJIPUKGQMLJVNS-CSTKLKAISA-N 1 0 376.459 2.968 20 0 GFADRO CCO[P@](C)(=O)CC[C@H](C)[NH2+][C@@H](C)c1ccc(S(=O)(=O)NC)cc1 ZINC000876969052 662868887 /nfs/dbraw/zinc/86/88/87/662868887.db2.gz WJIPUKGQMLJVNS-QIPPXTIRSA-N 1 0 376.459 2.968 20 0 GFADRO COC(=O)c1sc2c(c1Br)CN(C(=O)/C=C\[C@H]1CCC[NH2+]C1)C2 ZINC000876982084 662869239 /nfs/dbraw/zinc/86/92/39/662869239.db2.gz VDAIGKKKWVSSDA-UMCURTJPSA-N 1 0 399.310 2.695 20 0 GFADRO CC(C)n1ncc(C(=O)N2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)c1Br ZINC000877018760 662869798 /nfs/dbraw/zinc/86/97/98/662869798.db2.gz QPKZGOAQTOQHKL-MWLCHTKSSA-N 1 0 397.239 2.826 20 0 GFADRO CN(CCOCC[NH3+])C(=O)c1ccsc1NC(=O)c1ccccc1Cl ZINC000877058298 662870372 /nfs/dbraw/zinc/87/03/72/662870372.db2.gz YBACMSXKIGREAW-UHFFFAOYSA-N 1 0 381.885 2.701 20 0 GFADRO C[N@@H+]1CCC[C@H](CNCc2cccc(S(N)(=O)=O)c2)[C@H]1c1cccs1 ZINC000877055869 662870378 /nfs/dbraw/zinc/87/03/78/662870378.db2.gz WKXAFTOSDMDOAS-QAPCUYQASA-N 1 0 379.551 2.568 20 0 GFADRO C[C@H](Cc1ccc(F)c(Br)c1)[NH2+]CC1CCS(=O)(=O)CC1 ZINC000877109540 662871152 /nfs/dbraw/zinc/87/11/52/662871152.db2.gz ACYIUPVOOFJURV-LLVKDONJSA-N 1 0 378.307 2.934 20 0 GFADRO [NH3+]CCCCCCC(=O)N1CCN(Cc2ccc(Br)cc2)C(=O)C1 ZINC000877124337 662871474 /nfs/dbraw/zinc/87/14/74/662871474.db2.gz VHQNQVVUAKVJHC-UHFFFAOYSA-N 1 0 396.329 2.529 20 0 GFADRO CO[C@H](c1ccc(Br)cc1)[C@@H](C)[NH2+]CC1CCS(=O)(=O)CC1 ZINC000877134013 662871574 /nfs/dbraw/zinc/87/15/74/662871574.db2.gz UWNIDMCKKYMLLL-WBMJQRKESA-N 1 0 390.343 2.940 20 0 GFADRO C[S@](=O)C1(C(=O)N2CCC(Cc3ccccc3Cl)CC2)CC[NH2+]CC1 ZINC000877249383 662872504 /nfs/dbraw/zinc/87/25/04/662872504.db2.gz FOLXGUCNDJCKFV-VWLOTQADSA-N 1 0 382.957 2.622 20 0 GFADRO O=C(c1ccc(I)c(Cl)c1)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000877280757 662873065 /nfs/dbraw/zinc/87/30/65/662873065.db2.gz WSBVVZQHZPXIPW-QWHCGFSZSA-N 1 0 390.652 2.911 20 0 GFADRO O=C(c1cc(=O)[nH]c2ccc(Br)cc21)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000877285655 662873279 /nfs/dbraw/zinc/87/32/79/662873279.db2.gz WMLBYLXLUQOXNA-CABCVRRESA-N 1 0 376.254 2.669 20 0 GFADRO O=C(CSc1cccc(Br)c1)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000877331779 662873763 /nfs/dbraw/zinc/87/37/63/662873763.db2.gz QUKJMVBOZUEXBX-CQSZACIVSA-N 1 0 399.354 2.816 20 0 GFADRO O=C(CCc1ccc(Br)cc1F)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000877334300 662873812 /nfs/dbraw/zinc/87/38/12/662873812.db2.gz NPBQPDBOPMTMKU-OAHLLOKOSA-N 1 0 399.304 2.796 20 0 GFADRO Cc1cccc(CC(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)c1Br ZINC000877356544 662874342 /nfs/dbraw/zinc/87/43/42/662874342.db2.gz SHUHRZMZBVKNQM-VXGBXAGGSA-N 1 0 379.220 2.896 20 0 GFADRO COCCOc1ccc(Cl)cc1C(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000877362495 662874622 /nfs/dbraw/zinc/87/46/22/662874622.db2.gz DALDITDSNVXOTD-MFKMUULPSA-N 1 0 380.794 2.574 20 0 GFADRO COc1ccc(C(=O)N2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1Br ZINC000877368138 662874842 /nfs/dbraw/zinc/87/48/42/662874842.db2.gz HGVPPNDGMPLFJG-UWVGGRQHSA-N 1 0 381.192 2.667 20 0 GFADRO COC(=O)c1ccc(C[NH2+][C@@H](CCO)C2CCOCC2)cc1Br ZINC000877370401 662874938 /nfs/dbraw/zinc/87/49/38/662874938.db2.gz VMNPDEJFTZZSLL-INIZCTEOSA-N 1 0 386.286 2.503 20 0 GFADRO [NH3+][C@H](C(=O)N1CCO[C@@H](C(F)(F)F)CC1)c1cccc(Br)c1 ZINC000877383206 662875149 /nfs/dbraw/zinc/87/51/49/662875149.db2.gz XBRUPHGUJQUJBV-NEPJUHHUSA-N 1 0 381.192 2.629 20 0 GFADRO O=C(N[C@@]12CCC[C@@H]1[NH2+]CC2)c1cc(=O)[nH]c2c(Br)cccc12 ZINC000877395428 662875517 /nfs/dbraw/zinc/87/55/17/662875517.db2.gz YLFILNPHRRLCDZ-SUMWQHHRSA-N 1 0 376.254 2.717 20 0 GFADRO CCO[P@@](C)(=O)CC[C@@H](C)[NH2+]C1CCN(S(=O)(=O)C(C)(C)C)CC1 ZINC000877475189 662876597 /nfs/dbraw/zinc/87/65/97/662876597.db2.gz DHVPVWVAZJPQRT-QKFKETGDSA-N 1 0 382.507 2.892 20 0 GFADRO CCO[P@@](C)(=O)CC[C@H](C)[NH2+]C1CCN(S(=O)(=O)C(C)(C)C)CC1 ZINC000877475186 662876610 /nfs/dbraw/zinc/87/66/10/662876610.db2.gz DHVPVWVAZJPQRT-LFVRLGFBSA-N 1 0 382.507 2.892 20 0 GFADRO FC(F)(F)c1nc2n(c1C[NH2+]CCn1cc(Br)cn1)CCCC2 ZINC000877519989 662877932 /nfs/dbraw/zinc/87/79/32/662877932.db2.gz VZZQXOGPCCBUHZ-UHFFFAOYSA-N 1 0 392.223 2.987 20 0 GFADRO COC(=O)c1ccc(C[NH2+][C@H](C)C[C@H]2CCCC(=O)N2)c(Br)c1 ZINC000877527693 662878081 /nfs/dbraw/zinc/87/80/81/662878081.db2.gz NUZFPRWFUUDUKK-BXUZGUMPSA-N 1 0 383.286 2.773 20 0 GFADRO CCNS(=O)(=O)c1cccc(C[NH2+][C@@H](C)CC[P@@](C)(=O)OCC)c1 ZINC000877584737 662879450 /nfs/dbraw/zinc/87/94/50/662879450.db2.gz XOLMSGSMVLNNSY-PSLXWICFSA-N 1 0 376.459 2.797 20 0 GFADRO COC(=O)c1ccc(C[NH2+]CC(C)(C)[C@]2(O)CCOC2)cc1Br ZINC000877606465 662879747 /nfs/dbraw/zinc/87/97/47/662879747.db2.gz CAGLRVFKRDWBCB-KRWDZBQOSA-N 1 0 386.286 2.503 20 0 GFADRO CCn1ncc(C[NH2+][C@H]2CCN(C)[C@@H](c3ccc(Br)cc3)C2)n1 ZINC000877648913 662880704 /nfs/dbraw/zinc/88/07/04/662880704.db2.gz WCAOVPZQLGBEKI-DOTOQJQBSA-N 1 0 378.318 2.986 20 0 GFADRO CN1CC[NH+](C2CCN(Cc3c(Cl)nc4cc(Cl)ccn43)CC2)CC1 ZINC000877746834 662882728 /nfs/dbraw/zinc/88/27/28/662882728.db2.gz YVPKMHHOVDCLDC-UHFFFAOYSA-N 1 0 382.339 2.853 20 0 GFADRO CN1CC[NH+](C2CCN(C(=O)Nc3ccccc3Br)CC2)CC1 ZINC000877896880 662885473 /nfs/dbraw/zinc/88/54/73/662885473.db2.gz MULNDZDTFHKYQN-UHFFFAOYSA-N 1 0 381.318 2.693 20 0 GFADRO Cn1ncc(Br)c1CC(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000877943191 662886550 /nfs/dbraw/zinc/88/65/50/662886550.db2.gz AYPFLQRXCKSWBQ-QGZVFWFLSA-N 1 0 391.313 2.678 20 0 GFADRO C[NH+]1CCC(NC(=O)CN2CCC[C@H]2c2cccc(Br)c2)CC1 ZINC000877976076 662887353 /nfs/dbraw/zinc/88/73/53/662887353.db2.gz LCKDBCPRVHPYJE-KRWDZBQOSA-N 1 0 380.330 2.796 20 0 GFADRO CC1CC[NH+](C[C@@H]2CCCN(C[C@@H](O)c3cc(Br)no3)C2)CC1 ZINC000878017863 662888306 /nfs/dbraw/zinc/88/83/06/662888306.db2.gz PHMAFARDBSOGSE-LSDHHAIUSA-N 1 0 386.334 2.914 20 0 GFADRO CC1(C)CCC[C@@H](C[NH+]2CCC(N(CC(F)(F)F)S(C)(=O)=O)CC2)O1 ZINC000878101088 662889853 /nfs/dbraw/zinc/88/98/53/662889853.db2.gz LIOYFZGOAOJIGF-AWEZNQCLSA-N 1 0 386.480 2.622 20 0 GFADRO Cn1ncc(Br)c1CC(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000878213584 662891778 /nfs/dbraw/zinc/89/17/78/662891778.db2.gz IDOLGPRTHKYYRG-HNNXBMFYSA-N 1 0 391.313 2.506 20 0 GFADRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(C(=O)Cc2c(Br)cnn2C)C1 ZINC000878304195 662893614 /nfs/dbraw/zinc/89/36/14/662893614.db2.gz JUNWAXGCNWGHHY-MGPQQGTHSA-N 1 0 383.334 2.589 20 0 GFADRO CC(C)(C)S(=O)(=O)CCC[NH2+][C@H](CO)c1ccc(Br)cc1 ZINC000878396509 662895389 /nfs/dbraw/zinc/89/53/89/662895389.db2.gz LKPADKJHZFISHQ-CQSZACIVSA-N 1 0 378.332 2.676 20 0 GFADRO CSCC[C@@H]([NH2+]CCCS(=O)(=O)C(C)(C)C)c1nnc2ccccn21 ZINC000878415901 662895769 /nfs/dbraw/zinc/89/57/69/662895769.db2.gz ZLPLOJGNQKBGFE-CQSZACIVSA-N 1 0 384.571 2.717 20 0 GFADRO CC(C)[NH2+][C@@H]1CCCN(C(=O)[C@@]2(C)CC2(Br)Br)C1 ZINC000878578026 662899326 /nfs/dbraw/zinc/89/93/26/662899326.db2.gz PXZCNCPSJFLACB-ZYHUDNBSSA-N 1 0 382.140 2.872 20 0 GFADRO O[C@H](C[N@@H+]1CCCN2c3ccccc3C[C@@H]2C1)c1cc(Br)no1 ZINC000878627961 662901116 /nfs/dbraw/zinc/90/11/16/662901116.db2.gz CPGOVRGIHMTVBX-UKRRQHHQSA-N 1 0 378.270 2.608 20 0 GFADRO C[C@@H](c1ccccc1)[C@@H]([NH2+]C[C@H](O)c1ccc(Br)cc1)C(N)=O ZINC000878639733 662901289 /nfs/dbraw/zinc/90/12/89/662901289.db2.gz SXJQWHKRQVERNS-AFAVFJNCSA-N 1 0 377.282 2.730 20 0 GFADRO C[NH+](C)C[C@]1(O)CCCN(Cc2noc(-c3cccc(Cl)c3Cl)n2)C1 ZINC000878866526 662907723 /nfs/dbraw/zinc/90/77/23/662907723.db2.gz ULKRYFPPDHWLAI-QGZVFWFLSA-N 1 0 385.295 2.932 20 0 GFADRO O=C(Nc1cncc(Br)c1)N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000879031015 662913894 /nfs/dbraw/zinc/91/38/94/662913894.db2.gz LMRILBOPGFHIPD-AWEZNQCLSA-N 1 0 383.290 2.609 20 0 GFADRO CC(C)([NH2+]C[C@@H]1CCCN(S(C)(=O)=O)C1)c1nc2cc(Cl)ccc2o1 ZINC000879158667 662918933 /nfs/dbraw/zinc/91/89/33/662918933.db2.gz LTCUFMUIXUOUJK-LBPRGKRZSA-N 1 0 385.917 2.978 20 0 GFADRO CN(C(=O)Nc1cc(Br)nn1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000879642291 662932330 /nfs/dbraw/zinc/93/23/30/662932330.db2.gz MMYPQWRXEJXIRJ-AWEZNQCLSA-N 1 0 392.301 2.921 20 0 GFADRO Cn1nnnc1C1CC[NH+](CCCC(=O)c2ccc(Br)cc2)CC1 ZINC000879915974 662942021 /nfs/dbraw/zinc/94/20/21/662942021.db2.gz DZUWEZKEDUXMCY-UHFFFAOYSA-N 1 0 392.301 2.815 20 0 GFADRO Cn1cc(NC(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)c(Br)n1 ZINC000880040630 662946396 /nfs/dbraw/zinc/94/63/96/662946396.db2.gz AIQGHQVYEMHNLN-CYBMUJFWSA-N 1 0 384.253 2.746 20 0 GFADRO Cn1cc(NC(=O)N2CC[NH+](CC3CCCCC3)CC2)c(Br)n1 ZINC000880042496 662946683 /nfs/dbraw/zinc/94/66/83/662946683.db2.gz BNUUCNVZEQQCBV-UHFFFAOYSA-N 1 0 384.322 2.912 20 0 GFADRO Cn1cc(NC(=O)N(CC[NH+](C)C)Cc2cccc(F)c2)c(Br)n1 ZINC000880042523 662946691 /nfs/dbraw/zinc/94/66/91/662946691.db2.gz COZZRKQHKYIQPB-UHFFFAOYSA-N 1 0 398.280 2.917 20 0 GFADRO Cn1cc(NC(=O)NCc2ccc(F)c(C[NH+](C)C)c2)c(Br)n1 ZINC000880047154 662947165 /nfs/dbraw/zinc/94/71/65/662947165.db2.gz IRWIFPWKUOWUQV-UHFFFAOYSA-N 1 0 384.253 2.705 20 0 GFADRO C[C@@H](NC(=O)Nc1cn(C)nc1Br)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000880054974 662948227 /nfs/dbraw/zinc/94/82/27/662948227.db2.gz PSINFYUZINYVFZ-VXGBXAGGSA-N 1 0 384.322 2.957 20 0 GFADRO Cn1c(Cl)cnc1-c1csc(NC(=O)N2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)n1 ZINC000880077401 662950481 /nfs/dbraw/zinc/95/04/81/662950481.db2.gz VJASTSPBLDKDTN-JQWIXIFHSA-N 1 0 380.905 2.755 20 0 GFADRO O=C1O[C@@H](C[NH2+][C@@]2(c3ccc(Br)cc3)C[C@@H](O)C2)CC12CCC2 ZINC000880218497 662954930 /nfs/dbraw/zinc/95/49/30/662954930.db2.gz OAJCODINZOEGJF-RKVPGOIHSA-N 1 0 380.282 2.875 20 0 GFADRO C[C@H](c1ccccc1)[NH+]1CCN(C[C@H](O)c2cc(Br)no2)CC1 ZINC000880251202 662956331 /nfs/dbraw/zinc/95/63/31/662956331.db2.gz JWZQFFMASZARJZ-HIFRSBDPSA-N 1 0 380.286 2.849 20 0 GFADRO NC(=O)C1([NH+]2CCCCC2)CCN(Cc2ccc(Br)s2)CC1 ZINC000880250903 662956451 /nfs/dbraw/zinc/95/64/51/662956451.db2.gz VPPDOPJILSSABY-UHFFFAOYSA-N 1 0 386.359 2.816 20 0 GFADRO O[C@H](C[N@H+]1Cc2ccccc2N2CCC[C@@H]2C1)c1cc(Br)no1 ZINC000880553001 662962394 /nfs/dbraw/zinc/96/23/94/662962394.db2.gz JAXSNGFTQLPYER-UKRRQHHQSA-N 1 0 378.270 2.955 20 0 GFADRO C[C@H](C(=O)Nc1cccc(Br)c1)[N@@H+]1C[C@@H](O)CC2(CCOCC2)C1 ZINC000880590000 662963683 /nfs/dbraw/zinc/96/36/83/662963683.db2.gz XDUYGCONTAGXKP-CJNGLKHVSA-N 1 0 397.313 2.640 20 0 GFADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)Nc1cc(C(C)=O)ccc1Br ZINC000880805159 662972610 /nfs/dbraw/zinc/97/26/10/662972610.db2.gz FTAHYLWODHNRBC-CQSZACIVSA-N 1 0 398.301 2.884 20 0 GFADRO O=C(NCC[N@@H+]1CCCOCC1)Nc1cnc2ccccc2c1Br ZINC000880942737 662978820 /nfs/dbraw/zinc/97/88/20/662978820.db2.gz LJPQNQXONJMKJA-UHFFFAOYSA-N 1 0 393.285 2.841 20 0 GFADRO CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)c2cc(Br)ccc2C2CC2)C1 ZINC000880948396 662979238 /nfs/dbraw/zinc/97/92/38/662979238.db2.gz BRSOMAPKULHSTR-AWEZNQCLSA-N 1 0 381.314 2.902 20 0 GFADRO C[NH+]1CCC2(CC1)CN(C(=O)Nc1cccc(F)c1Br)CCO2 ZINC000881137150 662982504 /nfs/dbraw/zinc/98/25/04/662982504.db2.gz JPZKLMFVGZUKAV-UHFFFAOYSA-N 1 0 386.265 2.917 20 0 GFADRO C[C@@](O)(Cn1cc([C@H]2CCC[NH2+]C2)nn1)c1ccc(Br)cc1F ZINC000881424271 662993855 /nfs/dbraw/zinc/99/38/55/662993855.db2.gz LWULAVIBPFCAKS-MEDUHNTESA-N 1 0 383.265 2.554 20 0 GFADRO Cn1ncc(Br)c1CC(=O)NC[C@@H]1CC[N@@H+]1C1CCCCCC1 ZINC000881437119 662994106 /nfs/dbraw/zinc/99/41/06/662994106.db2.gz FPBVMLQVOHLHIC-AWEZNQCLSA-N 1 0 383.334 2.638 20 0 GFADRO NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000881619331 662998137 /nfs/dbraw/zinc/99/81/37/662998137.db2.gz YUMLDGSZVLNDAF-UHFFFAOYSA-N 1 0 384.307 2.939 20 0 GFADRO C[C@H]1CN(C(=O)c2nc(Br)ccc2F)CCN1c1cc[nH+]cc1 ZINC000881633143 662998433 /nfs/dbraw/zinc/99/84/33/662998433.db2.gz GUGUEAABUXWISK-NSHDSACASA-N 1 0 379.233 2.729 20 0 GFADRO CC1CC[NH+](C[C@@H]2CCCN(c3ccc4nnc(Br)n4n3)C2)CC1 ZINC000881872950 663007384 /nfs/dbraw/zinc/00/73/84/663007384.db2.gz UPRIEGZJWNVUCO-AWEZNQCLSA-N 1 0 393.333 2.835 20 0 GFADRO O=S(=O)(c1cnc(Cl)cc1C(F)(F)F)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000881927562 663010024 /nfs/dbraw/zinc/01/00/24/663010024.db2.gz TZCVXPQFGDKKTL-LLVKDONJSA-N 1 0 397.850 2.860 20 0 GFADRO CN(c1ccc2nnc(Br)n2n1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000882095783 663016530 /nfs/dbraw/zinc/01/65/30/663016530.db2.gz YBKMPJFIOWDORZ-CQSZACIVSA-N 1 0 387.285 2.598 20 0 GFADRO C[NH+]1CCC2(CCN(S(=O)(=O)c3cnc(Cl)cc3C(F)(F)F)C2)CC1 ZINC000882346844 663025112 /nfs/dbraw/zinc/02/51/12/663025112.db2.gz XTXRSPWWNNCIJP-UHFFFAOYSA-N 1 0 397.850 2.860 20 0 GFADRO N=[S@](=O)(c1ccc(N2CCC([N@@H+]3CC[C@H](O)C3)CC2)cc1)C(F)(F)F ZINC000882635588 663034379 /nfs/dbraw/zinc/03/43/79/663034379.db2.gz ILQMAIQYZSCDNJ-SXBQZSJRSA-N 1 0 377.432 2.647 20 0 GFADRO CC1([NH+]2CCC2)CCN(S(=O)(=O)c2cc3c(cc2Cl)CCC3=O)CC1 ZINC000882767845 663041093 /nfs/dbraw/zinc/04/10/93/663041093.db2.gz FNXDUVAEHCINKB-UHFFFAOYSA-N 1 0 382.913 2.718 20 0 GFADRO CN(CCCC[NH+]1CCCCC1)S(=O)(=O)c1c(Cl)nc2ccccn21 ZINC000882798893 663042590 /nfs/dbraw/zinc/04/25/90/663042590.db2.gz HTUKZPZFLNDOID-UHFFFAOYSA-N 1 0 384.933 2.874 20 0 GFADRO O[C@H](C[NH2+]Cc1cnc2ccc(Br)cn12)C(F)(F)C(F)(F)F ZINC000883367842 663054078 /nfs/dbraw/zinc/05/40/78/663054078.db2.gz YUMRAJVZSABIHD-SECBINFHSA-N 1 0 388.134 2.745 20 0 GFADRO C[C@H]([NH2+][C@H]1CCc2cc(Br)ccc2NC1=O)c1ccc(=O)[nH]n1 ZINC000883377140 663054276 /nfs/dbraw/zinc/05/42/76/663054276.db2.gz ACSJJYLXMTXIDB-XPTSAGLGSA-N 1 0 377.242 2.549 20 0 GFADRO C[C@@H](Cc1cnccn1)[NH2+][C@@H]1CCc2cc(Br)ccc2NC1=O ZINC000883377564 663054369 /nfs/dbraw/zinc/05/43/69/663054369.db2.gz KWIMBHLWTNTADW-MEDUHNTESA-N 1 0 375.270 2.713 20 0 GFADRO Cc1cc(Br)c(S(=O)(=O)N2CC[NH2+]CCC23CCC3)s1 ZINC000883478580 663055784 /nfs/dbraw/zinc/05/57/84/663055784.db2.gz OWWKMFBFPAXKOZ-UHFFFAOYSA-N 1 0 379.345 2.726 20 0 GFADRO CCC1([NH3+])CCN(S(=O)(=O)c2cccc(Cl)c2Br)CC1 ZINC000883483820 663056148 /nfs/dbraw/zinc/05/61/48/663056148.db2.gz VEZRIBNXHQLJBM-UHFFFAOYSA-N 1 0 381.723 2.995 20 0 GFADRO O=C(c1ccc(OC(F)F)c(Br)c1)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000883510073 663056442 /nfs/dbraw/zinc/05/64/42/663056442.db2.gz HPIDHIHJMKXFCQ-GHMZBOCLSA-N 1 0 375.213 2.732 20 0 GFADRO CCC1([NH3+])CCN(C(=O)Nc2cc(Br)cnc2-n2cccn2)CC1 ZINC000883555296 663057067 /nfs/dbraw/zinc/05/70/67/663057067.db2.gz VUHYTKVIUJISHC-UHFFFAOYSA-N 1 0 393.289 2.765 20 0 GFADRO CCC1([NH3+])CCN(C(=O)C(=O)Nc2cc(Br)c(C)cc2C)CC1 ZINC000883627279 663058425 /nfs/dbraw/zinc/05/84/25/663058425.db2.gz WRROOODNASDZLO-UHFFFAOYSA-N 1 0 382.302 2.734 20 0 GFADRO C[C@@H]1CN(C(=O)NCc2ccc(Br)cn2)CCN1c1cc[nH+]cc1 ZINC000883759359 663060139 /nfs/dbraw/zinc/06/01/39/663060139.db2.gz UHUAXYNGXKXWDS-CYBMUJFWSA-N 1 0 390.285 2.659 20 0 GFADRO O=C(CCc1cc(Br)c(Br)s1)N[C@@H]1CC[NH2+]C1 ZINC000884016500 663063868 /nfs/dbraw/zinc/06/38/68/663063868.db2.gz XPAGNWNYVDSULM-SSDOTTSWSA-N 1 0 382.121 2.684 20 0 GFADRO [NH3+]C[C@H]1CCN(C(=O)Cc2csc(-c3sccc3Br)n2)C1 ZINC000884020720 663063963 /nfs/dbraw/zinc/06/39/63/663063963.db2.gz HWELZCPCYRDWOT-SECBINFHSA-N 1 0 386.340 2.984 20 0 GFADRO [NH3+][C@H](CC1CC1)C(=O)NCC1(c2ccc(Br)cc2)CCOCC1 ZINC000884119694 663065535 /nfs/dbraw/zinc/06/55/35/663065535.db2.gz STZKDBIDWIJFBR-MRXNPFEDSA-N 1 0 381.314 2.741 20 0 GFADRO COCC[C@H]([NH3+])C(=O)N1CCC(COc2cc(Cl)cc(Cl)c2)CC1 ZINC000884151348 663066058 /nfs/dbraw/zinc/06/60/58/663066058.db2.gz JWIWXLGZHBGIGH-INIZCTEOSA-N 1 0 375.296 2.975 20 0 GFADRO COCC[C@@H]([NH3+])C(=O)NCC(C)(C)Sc1ccc(Br)cc1 ZINC000884156964 663066124 /nfs/dbraw/zinc/06/61/24/663066124.db2.gz PVBKNACPJUJKAJ-CYBMUJFWSA-N 1 0 375.332 2.800 20 0 GFADRO [NH3+][C@@H](C(=O)Nc1ccc(N2CCOCC2)cc1)c1ccc(Br)cc1 ZINC000884176041 663066614 /nfs/dbraw/zinc/06/66/14/663066614.db2.gz SJYCQUUSNQXVSU-QGZVFWFLSA-N 1 0 390.281 2.924 20 0 GFADRO [NH3+][C@@H](CC1CC1)C(=O)N[C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000884230677 663067388 /nfs/dbraw/zinc/06/73/88/663067388.db2.gz XOOZYHCVOMRBEU-AAEUAGOBSA-N 1 0 376.810 2.576 20 0 GFADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)NCCc1ccc(Cl)c(Cl)c1 ZINC000884273632 663067903 /nfs/dbraw/zinc/06/79/03/663067903.db2.gz UIBSBYMTJIYWDV-AWEZNQCLSA-N 1 0 387.355 2.861 20 0 GFADRO Cc1nc(CC(F)(F)F)sc1CC(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000884300588 663068478 /nfs/dbraw/zinc/06/84/78/663068478.db2.gz CHEQTHZIKCCHAG-CHWSQXEVSA-N 1 0 375.460 2.947 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CNC(=S)N1CCN(Cc2cccc(Cl)c2)CC1 ZINC000884387494 663069926 /nfs/dbraw/zinc/06/99/26/663069926.db2.gz VPPQPMPWUDKCJA-GOSISDBHSA-N 1 0 380.989 2.816 20 0 GFADRO O=C(CCc1cccc(Br)c1)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000885857382 663099204 /nfs/dbraw/zinc/09/92/04/663099204.db2.gz CDHIBOSUZUHKGD-QGZVFWFLSA-N 1 0 381.314 2.751 20 0 GFADRO O=C(NC[C@@H]1CC[N@@H+]1C1CCOCC1)c1c(Cl)nc2cc(Cl)ccn21 ZINC000885891061 663100762 /nfs/dbraw/zinc/10/07/62/663100762.db2.gz OWJSLLLGMXNERP-ZDUSSCGKSA-N 1 0 383.279 2.624 20 0 GFADRO O=S(=O)(N1CCC([NH2+][C@H]2CCOC3(CCCCC3)C2)CC1)C(F)(F)F ZINC000886017064 663102550 /nfs/dbraw/zinc/10/25/50/663102550.db2.gz RGYWCDNRMZNMQF-AWEZNQCLSA-N 1 0 384.464 2.772 20 0 GFADRO O=C(Nc1ccc(Br)cn1)[C@@H]1CCC[N@H+](C[C@@H]2C[C@@]23CCOC3)C1 ZINC000886052683 663102779 /nfs/dbraw/zinc/10/27/79/663102779.db2.gz VYFNIKCMJITKCB-QWQRMKEZSA-N 1 0 394.313 2.921 20 0 GFADRO OCC[C@]1([NH2+]Cc2cc(Br)c(Br)s2)CCOC1 ZINC000886094493 663103078 /nfs/dbraw/zinc/10/30/78/663103078.db2.gz TXADMRCMVIXDEO-NSHDSACASA-N 1 0 385.121 2.904 20 0 GFADRO O=S(=O)(CCC[NH2+][C@@H]1CCOC2(CCOCC2)C1)c1ccc(Cl)cc1 ZINC000886127279 663103683 /nfs/dbraw/zinc/10/36/83/663103683.db2.gz GRCZOEUPYNQNTQ-MRXNPFEDSA-N 1 0 387.929 2.822 20 0 GFADRO OC[C@@H](C[C@H]1CCCO1)[NH2+]Cc1cc(Br)c2c(c1)OCCCO2 ZINC000886228939 663105347 /nfs/dbraw/zinc/10/53/47/663105347.db2.gz IFOACVQSDVCXGL-ZIAGYGMSSA-N 1 0 386.286 2.630 20 0 GFADRO C[C@](O)(C[N@@H+]1CC[C@@]2(C)[C@@H](C1)C2(Br)Br)C(F)F ZINC000886274127 663106674 /nfs/dbraw/zinc/10/66/74/663106674.db2.gz MTRDYPZWKUOGBQ-JEZHCXPESA-N 1 0 377.067 2.830 20 0 GFADRO CC(C)(C)OC(=O)NC[C@@H]1C[N@H+](C[C@@](C)(O)C(F)F)C[C@H]1C(F)(F)F ZINC000886314483 663107969 /nfs/dbraw/zinc/10/79/69/663107969.db2.gz ZNWJFGLYZJEHNL-GPCCPHFNSA-N 1 0 376.366 2.638 20 0 GFADRO COc1ccc(C[NH2+]C[C@@H]2CC[C@@]3(CO[C@H](C)C3)O2)c(Br)c1O ZINC000886332636 663108518 /nfs/dbraw/zinc/10/85/18/663108518.db2.gz XCHXFFWOODETFX-BTJLNZGRSA-N 1 0 386.286 2.980 20 0 GFADRO COC[C@H]([NH2+]CC(=O)Nc1ccc(C)cc1Br)[C@@H]1CCCOC1 ZINC000886909937 663124624 /nfs/dbraw/zinc/12/46/24/663124624.db2.gz INRFILILKMDIQP-CJNGLKHVSA-N 1 0 385.302 2.727 20 0 GFADRO COc1ccc(NC(=O)NC[C@H]2C[NH2+]CCC2(F)F)cc1Br ZINC000886934344 663125302 /nfs/dbraw/zinc/12/53/02/663125302.db2.gz TVRDNAGSINBKNA-SECBINFHSA-N 1 0 378.217 2.824 20 0 GFADRO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)Nc1cc(Br)c2ccccc2c1 ZINC000886982539 663127118 /nfs/dbraw/zinc/12/71/18/663127118.db2.gz SHADUJIGNRSDNJ-HNNXBMFYSA-N 1 0 378.270 2.640 20 0 GFADRO [NH3+]CCN(Cc1cccc(Cl)c1)C(=O)C(=O)Nc1nc(C2CC2)cs1 ZINC000887031527 663129591 /nfs/dbraw/zinc/12/95/91/663129591.db2.gz VODCAJPLNGDXGR-UHFFFAOYSA-N 1 0 378.885 2.600 20 0 GFADRO [NH3+][C@@H]1CCCN(Cc2cn(Cc3ccc(Cl)c(Br)c3)nn2)C1 ZINC000887446509 663146777 /nfs/dbraw/zinc/14/67/77/663146777.db2.gz DAMFDNBJKLWROD-GFCCVEGCSA-N 1 0 384.709 2.665 20 0 GFADRO Cn1cc(C(=O)N(Cc2ccco2)C2CC[NH+](C)CC2)c(Br)n1 ZINC000887900696 663168338 /nfs/dbraw/zinc/16/83/38/663168338.db2.gz TYSYDOIMVQGFND-UHFFFAOYSA-N 1 0 381.274 2.512 20 0 GFADRO C[N@@H+]1C[C@@H]2CN(C(=O)c3cnn(-c4ccccc4)c3Br)C[C@]2(C)C1 ZINC000887929119 663170634 /nfs/dbraw/zinc/17/06/34/663170634.db2.gz JVTMBRVBCCSOLY-ACJLOTCBSA-N 1 0 389.297 2.659 20 0 GFADRO C[N@H+](CCNC(=O)c1nn2c(c1Br)CCC2)Cc1ccc(F)cc1 ZINC000889357718 663242432 /nfs/dbraw/zinc/24/24/32/663242432.db2.gz UGVSKZVXWKXIPN-UHFFFAOYSA-N 1 0 395.276 2.593 20 0 GFADRO O=C(NCc1ncc(Br)cn1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000889717338 663259136 /nfs/dbraw/zinc/25/91/36/663259136.db2.gz CFARJDTZGYQPTQ-OAHLLOKOSA-N 1 0 389.297 2.768 20 0 GFADRO Cc1sc(Br)c(C(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)c1C ZINC000889756567 663263966 /nfs/dbraw/zinc/26/39/66/663263966.db2.gz OMAPAWPRZVITSA-STQMWFEESA-N 1 0 387.343 2.799 20 0 GFADRO C[C@H](C(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO)c1cccc(Br)c1 ZINC000889757480 663264154 /nfs/dbraw/zinc/26/41/54/663264154.db2.gz VQLGCXGKFPKZJD-XKQJLSEDSA-N 1 0 381.314 2.610 20 0 GFADRO CC(C)(C(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO)c1cccc(Br)c1 ZINC000889770067 663265339 /nfs/dbraw/zinc/26/53/39/663265339.db2.gz PFPZISAETLZJMN-IAGOWNOFSA-N 1 0 395.341 2.784 20 0 GFADRO O=C(c1cc2cc(Br)sc2[nH]1)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000889773244 663265518 /nfs/dbraw/zinc/26/55/18/663265518.db2.gz HMZLPYKQLGQRRD-STQMWFEESA-N 1 0 398.326 2.663 20 0 GFADRO O=C(c1cc(Cl)ccc1Br)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000889775129 663265926 /nfs/dbraw/zinc/26/59/26/663265926.db2.gz LKJKFHHPORIYLX-CABCVRRESA-N 1 0 387.705 2.774 20 0 GFADRO O=C(NC[C@@H]1CC[N@@H+]1C1CCCC1)C(=O)Nc1cccc(F)c1Br ZINC000890406960 663299189 /nfs/dbraw/zinc/29/91/89/663299189.db2.gz LIOMOAALXVBDPN-LBPRGKRZSA-N 1 0 398.276 2.660 20 0 GFADRO CN(CC(C)(C)C[NH+](C)C)C(=O)c1cc(Br)cc2[nH]c(=O)[nH]c21 ZINC000890881121 663315745 /nfs/dbraw/zinc/31/57/45/663315745.db2.gz LYRUZGWURYMTSM-UHFFFAOYSA-N 1 0 383.290 2.691 20 0 GFADRO CC[NH+]1CCC(NC(=O)CCn2cc(Br)cn2)(C(F)(F)F)CC1 ZINC000891206228 663329596 /nfs/dbraw/zinc/32/95/96/663329596.db2.gz SKOUHIGHAWNHSG-UHFFFAOYSA-N 1 0 397.239 2.569 20 0 GFADRO [NH3+]Cc1nc2c(s1)CCN(C(=O)NCc1cc(Br)ccc1F)C2 ZINC000891364399 663337454 /nfs/dbraw/zinc/33/74/54/663337454.db2.gz WVWMMRSHJDPING-UHFFFAOYSA-N 1 0 399.289 2.771 20 0 GFADRO CN(CCCCCC[NH3+])C(=O)NCCC(=O)Nc1ccc(Br)cc1 ZINC000891405582 663338790 /nfs/dbraw/zinc/33/87/90/663338790.db2.gz XQNGPGVXNXEEHC-UHFFFAOYSA-N 1 0 399.333 2.938 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)NCc2cccc(Br)c2)C[C@H]1C(F)(F)F ZINC000891461014 663340265 /nfs/dbraw/zinc/34/02/65/663340265.db2.gz RSEPYEJSKYOENZ-ZYHUDNBSSA-N 1 0 380.208 2.728 20 0 GFADRO CC(C)[NH+]1CCC(NC(=O)N[C@](C)(CO)c2cccc(Br)c2)CC1 ZINC000891522953 663342051 /nfs/dbraw/zinc/34/20/51/663342051.db2.gz UIIPRIYACJOEOU-GOSISDBHSA-N 1 0 398.345 2.829 20 0 GFADRO [NH3+][C@H]1C[C@@H](CNC(=O)NC2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)C1 ZINC000891535043 663342855 /nfs/dbraw/zinc/34/28/55/663342855.db2.gz RZXZUYQONLYCGX-OKILXGFUSA-N 1 0 385.339 2.994 20 0 GFADRO Nc1cc(N2CCN(CC(=O)Nc3ccccc3Cl)CC2)c(Cl)c[nH+]1 ZINC000891552221 663343713 /nfs/dbraw/zinc/34/37/13/663343713.db2.gz MPCPKDXVHJKZIS-UHFFFAOYSA-N 1 0 380.279 2.731 20 0 GFADRO [NH3+][C@H]1C[C@@H](CNC(=O)NC2CCN(Cc3cc(Cl)cc(Cl)c3)CC2)C1 ZINC000891769901 663349788 /nfs/dbraw/zinc/34/97/88/663349788.db2.gz SYTZOAPSTHEYNX-DRQUAOQDSA-N 1 0 385.339 2.994 20 0 GFADRO Cc1cccc(CNC(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)c1Br ZINC000891840354 663352527 /nfs/dbraw/zinc/35/25/27/663352527.db2.gz XUMNHPFJCFKHBG-OAHLLOKOSA-N 1 0 396.329 2.715 20 0 GFADRO C[C@H]1C[C@H]([NH3+])CN1C(=O)NCc1ccc(Cl)cc1I ZINC000891858867 663353181 /nfs/dbraw/zinc/35/31/81/663353181.db2.gz WQIPQZGAHKHVRV-KWQFWETISA-N 1 0 393.656 2.576 20 0 GFADRO Cc1[nH+]ccc(NCc2cccc(C(=O)N3CCOCC3)c2)c1Br ZINC000892006877 663358208 /nfs/dbraw/zinc/35/82/08/663358208.db2.gz AADPWSKKXSIJPD-UHFFFAOYSA-N 1 0 390.281 2.659 20 0 GFADRO COCCOC[C@H]1CC[N@H+](Cc2ccc(Br)cc2NC(C)=O)C1 ZINC000892133188 663362647 /nfs/dbraw/zinc/36/26/47/663362647.db2.gz KMBNUDKNTCJMBY-AWEZNQCLSA-N 1 0 385.302 2.892 20 0 GFADRO Cn1nc2c(cc1=O)C[N@@H+](CC(C)(C)c1ccc(Br)cc1)CC2 ZINC000892135410 663362961 /nfs/dbraw/zinc/36/29/61/663362961.db2.gz QWHYRAWEZGFOBR-UHFFFAOYSA-N 1 0 376.298 2.879 20 0 GFADRO COC[C@@H](NC(=O)N[C@@H]1CC[NH2+]C12CCC2)c1cccc(Br)c1 ZINC000892275568 663367899 /nfs/dbraw/zinc/36/78/99/663367899.db2.gz XSYQQEAGFMLJHG-HUUCEWRRSA-N 1 0 382.302 2.720 20 0 GFADRO C[NH+]1CCN(c2ccccc2NCc2ncc(Br)cc2O)CC1 ZINC000892300992 663368506 /nfs/dbraw/zinc/36/85/06/663368506.db2.gz VSVHVSAXIWOHEQ-UHFFFAOYSA-N 1 0 377.286 2.914 20 0 GFADRO [NH3+]CC[C@H]1CCCN(C(=O)N[C@@H]2[C@H]3Cc4cc(Br)ccc4[C@@H]23)C1 ZINC000892428361 663373543 /nfs/dbraw/zinc/37/35/43/663373543.db2.gz YKMDHAJOGNAGIW-GLZXHMCRSA-N 1 0 378.314 2.858 20 0 GFADRO COc1ccc([C@H](C[NH2+]C[C@@H]2C[C@@]2(C)Br)N2CCOCC2)cc1 ZINC000892439193 663373772 /nfs/dbraw/zinc/37/37/72/663373772.db2.gz TZIOCCXQRYDHAL-RYQLBKOJSA-N 1 0 383.330 2.832 20 0 GFADRO C[N@@H+]1CCC[C@@H](N2CCN(c3ncc(Br)c4cccnc43)CC2)C1 ZINC000892561591 663377354 /nfs/dbraw/zinc/37/73/54/663377354.db2.gz PUWKPUKBKCKZGH-CQSZACIVSA-N 1 0 390.329 2.609 20 0 GFADRO CC(C)NS(=O)(=O)c1cccc(C[NH2+]C[C@@H]2C[C@@]2(C)Br)c1 ZINC000892663006 663380188 /nfs/dbraw/zinc/38/01/88/663380188.db2.gz OQJNIGOLAWZQOM-DZGCQCFKSA-N 1 0 375.332 2.636 20 0 GFADRO CC(C)(C)n1nc(Br)c2c1ncnc2N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000892678517 663380876 /nfs/dbraw/zinc/38/08/76/663380876.db2.gz BMZXBVVCJYIBHA-LBPRGKRZSA-N 1 0 391.317 2.794 20 0 GFADRO C[C@@]1(Br)C[C@H]1C[NH2+]Cc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000892770967 663384138 /nfs/dbraw/zinc/38/41/38/663384138.db2.gz PDNPZPBJQRORDB-GOEBONIOSA-N 1 0 387.343 2.734 20 0 GFADRO CCn1cc(C[NH2+]CCCNC(=O)c2cccc(Br)c2)c(C)n1 ZINC000892784857 663384635 /nfs/dbraw/zinc/38/46/35/663384635.db2.gz JFSFHTPHZGAZDG-UHFFFAOYSA-N 1 0 379.302 2.884 20 0 GFADRO C[C@@]1(NC(=O)c2cc(=O)[nH]c3ccc(Br)cc32)C[NH+]2CCC1CC2 ZINC000892781949 663384673 /nfs/dbraw/zinc/38/46/73/663384673.db2.gz SDGVVBXRFXJRNF-GOSISDBHSA-N 1 0 390.281 2.917 20 0 GFADRO CCn1cc(C[NH2+]CC2(c3ccc(Br)cc3)CCOCC2)nn1 ZINC000892792407 663384803 /nfs/dbraw/zinc/38/48/03/663384803.db2.gz DURUMHFTOAOWQU-UHFFFAOYSA-N 1 0 379.302 2.899 20 0 GFADRO Brc1cnc(N2CC[NH+](C[C@@H]3CCOC3)CC2)c2ncccc12 ZINC000892835482 663386222 /nfs/dbraw/zinc/38/62/22/663386222.db2.gz BHICGQDEUQHISD-ZDUSSCGKSA-N 1 0 377.286 2.551 20 0 GFADRO C[C@@H]1[C@H]([NH+](C)C)CCN1c1ncnc2c1c(Br)nn2C(C)(C)C ZINC000893979280 663435063 /nfs/dbraw/zinc/43/50/63/663435063.db2.gz ACZULJWDJCSXCJ-GHMZBOCLSA-N 1 0 381.322 2.873 20 0 GFADRO CN(c1ccc(NCc2nc(Br)nn2C)cc1)C1CC[NH+](C)CC1 ZINC000894107038 663442715 /nfs/dbraw/zinc/44/27/15/663442715.db2.gz JWQMKAPAUBNXNP-UHFFFAOYSA-N 1 0 393.333 2.720 20 0 GFADRO Cn1nc(Br)nc1CNc1ccc(OCC[NH+](C)C)c(Cl)c1 ZINC000894121854 663443984 /nfs/dbraw/zinc/44/39/84/663443984.db2.gz HGUXCANBUXVBQM-UHFFFAOYSA-N 1 0 388.697 2.784 20 0 GFADRO C[C@]1(Br)C[C@@H]1C[NH2+][C@H](C(N)=O)c1cccc(Br)c1 ZINC000894151947 663445862 /nfs/dbraw/zinc/44/58/62/663445862.db2.gz XAUKDKZEBMNOEP-CDMKHQONSA-N 1 0 376.092 2.739 20 0 GFADRO Cn1nc(Br)nc1CNCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000894156388 663445897 /nfs/dbraw/zinc/44/58/97/663445897.db2.gz IBVHQFDQBWLDAW-UHFFFAOYSA-N 1 0 378.318 2.853 20 0 GFADRO CCOCc1ccccc1CNCc1c(I)cnn1C ZINC000894164200 663446351 /nfs/dbraw/zinc/44/63/51/663446351.db2.gz FBXVBVXEJOFYMP-UHFFFAOYSA-N 1 0 385.249 2.851 20 0 GFADRO Cn1nc(Br)nc1C[NH2+]CCc1ccc(N2CCCCC2)cc1 ZINC000894199451 663448211 /nfs/dbraw/zinc/44/82/11/663448211.db2.gz JWFFFOCUKHWPGI-UHFFFAOYSA-N 1 0 378.318 2.900 20 0 GFADRO Cn1cc(C[NH2+]CCc2cc(F)ccc2F)c(I)n1 ZINC000894325729 663454916 /nfs/dbraw/zinc/45/49/16/663454916.db2.gz XIBQKHFAFKBKKW-UHFFFAOYSA-N 1 0 377.176 2.635 20 0 GFADRO Cn1cc(C[NH2+]CCc2cc3ccccc3[nH]2)c(I)n1 ZINC000894358112 663457383 /nfs/dbraw/zinc/45/73/83/663457383.db2.gz CCKULVWCEQMELY-UHFFFAOYSA-N 1 0 380.233 2.838 20 0 GFADRO Cn1cc(CN[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)c(I)n1 ZINC000894366930 663458149 /nfs/dbraw/zinc/45/81/49/663458149.db2.gz IJEDCOFEBLSFCR-GJZGRUSLSA-N 1 0 396.276 2.560 20 0 GFADRO COc1ccc(C[C@H](C)C[NH2+]Cc2nc(Br)nn2C)cc1OC ZINC000894369658 663458525 /nfs/dbraw/zinc/45/85/25/663458525.db2.gz BAMZJTKBEWUGIE-NSHDSACASA-N 1 0 383.290 2.563 20 0 GFADRO O=C(NCCCCn1cc(Br)cn1)N1CCC([NH2+]C2CCC2)CC1 ZINC000894517361 663466619 /nfs/dbraw/zinc/46/66/19/663466619.db2.gz JLSVCDAKRLXCDA-UHFFFAOYSA-N 1 0 398.349 2.742 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCc2c1ccc(F)c2Br)[C@@H]1CCS(=O)(=O)C1 ZINC000894738781 663478086 /nfs/dbraw/zinc/47/80/86/663478086.db2.gz UTVNHIQYUPFSOS-IMSIIYSGSA-N 1 0 376.291 2.988 20 0 GFADRO COc1ccc(C[C@@H](CO)C[NH2+]Cc2nnc(C)s2)cc1Br ZINC000894750011 663479274 /nfs/dbraw/zinc/47/92/74/663479274.db2.gz FRANXHQPLPEFCE-GFCCVEGCSA-N 1 0 386.315 2.558 20 0 GFADRO Cn1cc(CNc2ccc(C[NH+](C)C)cc2F)c(I)n1 ZINC000894992947 663493865 /nfs/dbraw/zinc/49/38/65/663493865.db2.gz LYBYAZVGKXGPCK-UHFFFAOYSA-N 1 0 388.228 2.838 20 0 GFADRO C[C@H](Nc1ncc(Br)cc1C(F)(F)F)[C@@H]1C[N@H+](C)CCN1C ZINC000895249607 663505221 /nfs/dbraw/zinc/50/52/21/663505221.db2.gz SOYQNHAFIVDSBF-CABZTGNLSA-N 1 0 381.240 2.909 20 0 GFADRO Cc1nc(Br)sc1C(=O)N1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000895267129 663506267 /nfs/dbraw/zinc/50/62/67/663506267.db2.gz PTPFCHBBSGXAON-JTQLQIEISA-N 1 0 381.299 2.960 20 0 GFADRO FC1(F)[C@@H]2CCCO[C@@]21C[NH2+]Cc1sc(N2CCOCC2)nc1Cl ZINC000895274383 663506329 /nfs/dbraw/zinc/50/63/29/663506329.db2.gz NUYUBDXWSGOKHR-RISCZKNCSA-N 1 0 379.860 2.537 20 0 GFADRO Clc1nc(N2CCOCC2)sc1CNC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000895359557 663509945 /nfs/dbraw/zinc/50/99/45/663509945.db2.gz HJGKZMCLNHEEFI-OAHLLOKOSA-N 1 0 384.977 2.845 20 0 GFADRO CC(C)(C)OC(=O)N1CC2CC1(C[NH2+]Cc1cnc(Br)cn1)C2 ZINC000895407642 663512233 /nfs/dbraw/zinc/51/22/33/663512233.db2.gz VVIKCNWYEYMKOX-UHFFFAOYSA-N 1 0 383.290 2.728 20 0 GFADRO CC(C)(C)OC(=O)N1C[C@@H]2C[C@]2(C[NH2+]Cc2cnc(Br)cn2)C1 ZINC000895406957 663512273 /nfs/dbraw/zinc/51/22/73/663512273.db2.gz IMOGDKJPFUJOIB-ZBEGNZNMSA-N 1 0 383.290 2.586 20 0 GFADRO COc1ccc(NC(=O)C[C@H](C)[NH2+]Cc2cnc(Br)cn2)cc1 ZINC000895407984 663512493 /nfs/dbraw/zinc/51/24/93/663512493.db2.gz KWMMLKCZTYQBMG-NSHDSACASA-N 1 0 379.258 2.755 20 0 GFADRO Cn1cc(CCC[NH2+][C@@H]2CCc3cc(Br)ccc3NC2=O)cn1 ZINC000895695388 663523456 /nfs/dbraw/zinc/52/34/56/663523456.db2.gz XDSFBPFFPWESFF-MRXNPFEDSA-N 1 0 377.286 2.658 20 0 GFADRO CN1CC[NH+](CCCCNC(=O)CCCc2ccc(Br)cc2)CC1 ZINC000895711307 663524474 /nfs/dbraw/zinc/52/44/74/663524474.db2.gz NKLPRILPTIHNET-UHFFFAOYSA-N 1 0 396.373 2.916 20 0 GFADRO CS(C)(=O)=NS(=O)(=O)CC[NH2+][C@H]1CC=C(c2ccc(Cl)cc2)CC1 ZINC000896314476 663550667 /nfs/dbraw/zinc/55/06/67/663550667.db2.gz JQFUCYQYBZMHJS-INIZCTEOSA-N 1 0 390.958 2.923 20 0 GFADRO CC(C)(C)OC(=O)NC1CCN(CC[NH2+]C[C@H]2C[C@]2(C)Br)CC1 ZINC000896344845 663552113 /nfs/dbraw/zinc/55/21/13/663552113.db2.gz PKNNDJBUNNDZDR-DYVFJYSZSA-N 1 0 390.366 2.739 20 0 GFADRO C[C@H](NC(=O)c1cc(Br)c2ccccc2c1)[C@@H]1C[N@H+](C)CCN1C ZINC000896540974 663562620 /nfs/dbraw/zinc/56/26/20/663562620.db2.gz ZGJASIREGGNQET-UGSOOPFHSA-N 1 0 390.325 2.966 20 0 GFADRO Cc1cc(Br)cc2cc(C(=O)N[C@@H](C)[C@@H]3C[N@H+](C)CCN3C)oc21 ZINC000896548575 663562807 /nfs/dbraw/zinc/56/28/07/663562807.db2.gz KHRSHJRZCMILTH-WFASDCNBSA-N 1 0 394.313 2.868 20 0 GFADRO Cc1nc(CC2CC[NH+](Cc3cnn4cc(Br)cnc34)CC2)no1 ZINC000896548879 663562969 /nfs/dbraw/zinc/56/29/69/663562969.db2.gz AULRTEFZCMMSAN-UHFFFAOYSA-N 1 0 391.273 2.638 20 0 GFADRO C[C@@H](NC(=O)CCCOc1cccc(Cl)c1Cl)[C@@H]1C[N@H+](C)CCN1C ZINC000896567613 663564685 /nfs/dbraw/zinc/56/46/85/663564685.db2.gz HCARJECDTOFLFY-HIFRSBDPSA-N 1 0 388.339 2.903 20 0 GFADRO C[C@H](CNC(=O)CCCc1ccc(Br)cc1)C[NH+]1CCN(C)CC1 ZINC000896707531 663572983 /nfs/dbraw/zinc/57/29/83/663572983.db2.gz CDKNJACPWMYEPF-MRXNPFEDSA-N 1 0 396.373 2.772 20 0 GFADRO CN(C)c1cc(Cl)cc(Cl)c1C[NH+]1CCC2(CC1)C[C@H](O)CNC2=O ZINC000897043913 663587890 /nfs/dbraw/zinc/58/78/90/663587890.db2.gz WTLMFVOIPOMBMG-ZDUSSCGKSA-N 1 0 386.323 2.522 20 0 GFADRO C[C@H](NC(=O)C1C[NH+](C2CCOCC2)C1)[C@@H](O)c1c(Cl)cccc1Cl ZINC000897313254 663600334 /nfs/dbraw/zinc/60/03/34/663600334.db2.gz YJHFFJCXFRTENF-APPDUMDISA-N 1 0 387.307 2.642 20 0 GFADRO COC(=O)c1nn(-c2ccc(Cl)c(Cl)c2)cc1C[NH2+][C@H]1C[C@H](CO)C1 ZINC000897354911 663602672 /nfs/dbraw/zinc/60/26/72/663602672.db2.gz ASKLZZBUYLPIDG-UMSPYCQHSA-N 1 0 384.263 2.826 20 0 GFADRO CCOC(=O)C1([C@H](C)[NH2+]Cc2c(F)cncc2Br)CCOCC1 ZINC000897740495 663617910 /nfs/dbraw/zinc/61/79/10/663617910.db2.gz ABCXXHWXNMAHOZ-NSHDSACASA-N 1 0 389.265 2.821 20 0 GFADRO CCn1c(C[NH2+][C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)nc(Br)c1Br ZINC000897808848 663621033 /nfs/dbraw/zinc/62/10/33/663621033.db2.gz GSGVGLXDRKENFI-BIIVNPBRSA-N 1 0 391.107 2.693 20 0 GFADRO O=C(N[C@H]1C[C@H](c2ccc(Br)cc2)C1)C1C[NH+](C2CCOCC2)C1 ZINC000897808552 663621165 /nfs/dbraw/zinc/62/11/65/663621165.db2.gz PGENLLYEOZFWRH-CZIWCDLHSA-N 1 0 393.325 2.922 20 0 GFADRO CN1CCN(Cc2ccnc3c(Br)cccc23)CC[N@H+](C)CC1 ZINC000897858717 663622679 /nfs/dbraw/zinc/62/26/79/663622679.db2.gz JJGXXTTXWVVGBC-UHFFFAOYSA-N 1 0 377.330 2.677 20 0 GFADRO CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1[C@H]([NH2+]Cc1ccc(S(C)(=O)=O)s1)C2 ZINC000898073789 663632430 /nfs/dbraw/zinc/63/24/30/663632430.db2.gz HLWGUFFOCORNLV-BNOWGMLFSA-N 1 0 386.539 2.782 20 0 GFADRO Cc1cc(Br)cn2c(C[NH2+][C@H]3CCOC34CCOCC4)cnc12 ZINC000898114709 663634305 /nfs/dbraw/zinc/63/43/05/663634305.db2.gz AHQZFBUAYPOTNI-HNNXBMFYSA-N 1 0 380.286 2.833 20 0 GFADRO Cc1ccc(C(=O)N2CCC(CO)([NH2+]CC3CC3)CC2)c(Br)c1 ZINC000898116127 663634356 /nfs/dbraw/zinc/63/43/56/663634356.db2.gz ZYSUXPQSDKLQKW-UHFFFAOYSA-N 1 0 381.314 2.724 20 0 GFADRO [O-]c1cc(Br)cnc1CN1Cc2ncccc2N2CCC[C@H]2C1 ZINC000898165809 663636659 /nfs/dbraw/zinc/63/66/59/663636659.db2.gz NLHYGTSRQRNGLX-ZDUSSCGKSA-N 1 0 375.270 2.929 20 0 GFADRO O=c1ccn(CCC[NH2+]Cc2cc3cc(Br)ccc3o2)c(=O)[nH]1 ZINC000898325431 663643774 /nfs/dbraw/zinc/64/37/74/663643774.db2.gz HKSGXISIVGUOJZ-UHFFFAOYSA-N 1 0 378.226 2.638 20 0 GFADRO O=c1[nH]ncc(N2CC[C@H]([NH2+]Cc3ccccc3Br)C2)c1Cl ZINC000898362307 663644330 /nfs/dbraw/zinc/64/43/30/663644330.db2.gz AHRYDHVJBUUTOI-NSHDSACASA-N 1 0 383.677 2.967 20 0 GFADRO Brc1ccc(C[NH2+][C@@H]2COC[C@H]2C2CC2)c(N2CCOCC2)c1 ZINC000898382339 663646076 /nfs/dbraw/zinc/64/60/76/663646076.db2.gz WDEKGKTYDKEAAZ-DLBZAZTESA-N 1 0 381.314 2.800 20 0 GFADRO COC(=O)C1CC2(C1)C[C@H]([NH2+][C@H](C)c1ccc(Cl)cc1)CCS2(=O)=O ZINC000898487769 663652304 /nfs/dbraw/zinc/65/23/04/663652304.db2.gz GCGKCOCRHZEQCR-PYDOJAACSA-N 1 0 385.913 2.890 20 0 GFADRO COc1cc(F)cc(OC)c1C[NH2+][C@H]1CCc2ncc(Br)n2C1 ZINC000898721479 663660567 /nfs/dbraw/zinc/66/05/67/663660567.db2.gz SKRFQZDVHRNZMQ-NSHDSACASA-N 1 0 384.249 2.907 20 0 GFADRO C[NH+](C)[C@H]1C[C@@H](NC(=O)C2(c3cncc(Br)c3)CC2)C12CCC2 ZINC000898833129 663665790 /nfs/dbraw/zinc/66/57/90/663665790.db2.gz ZXDXUEXPXUPXMS-CABCVRRESA-N 1 0 378.314 2.865 20 0 GFADRO C[C@H](C(=O)Nc1ccc(NC2=[NH+]CCN2)c(Cl)c1)N(C)CC(F)(F)F ZINC000899049663 663673393 /nfs/dbraw/zinc/67/33/93/663673393.db2.gz XWGBNXCQHWMUSY-SECBINFHSA-N 1 0 377.798 2.532 20 0 GFADRO CN(Cc1ccc(Br)cc1F)C(=O)C1C[NH+](C2CCOCC2)C1 ZINC000899153347 663677952 /nfs/dbraw/zinc/67/79/52/663677952.db2.gz JOFSISTVQMLJMG-UHFFFAOYSA-N 1 0 385.277 2.657 20 0 GFADRO CCC1([NH+]2CCC2)CCN(C(=O)c2cnc(OC)c(Br)c2)CC1 ZINC000899554925 663693729 /nfs/dbraw/zinc/69/37/29/663693729.db2.gz QPOLXBXQXJFCRI-UHFFFAOYSA-N 1 0 382.302 2.943 20 0 GFADRO CCC1([NH+]2CCC2)CCN(C(=O)c2cc(S(C)(=O)=O)ccc2Cl)CC1 ZINC000899566255 663693912 /nfs/dbraw/zinc/69/39/12/663693912.db2.gz IGJHUXNKUNOQEX-UHFFFAOYSA-N 1 0 384.929 2.834 20 0 GFADRO CC[NH2+]Cc1ccn(Cc2cn(-c3ccc(Br)c(F)c3)nn2)n1 ZINC000899735022 663699626 /nfs/dbraw/zinc/69/96/26/663699626.db2.gz DJLOANUFHRXEGQ-UHFFFAOYSA-N 1 0 379.237 2.523 20 0 GFADRO C[C@@](O)(c1cn(C[C@H]2CCCC[NH2+]C2)nn1)c1ccccc1Br ZINC000899741290 663699959 /nfs/dbraw/zinc/69/99/59/663699959.db2.gz OQRBSOKDNLQIMS-GUYCJALGSA-N 1 0 379.302 2.686 20 0 GFADRO CC(C)[NH+]1CCN(CCC(=O)N(C)Cc2ccc(Br)s2)CC1 ZINC000899975007 663705397 /nfs/dbraw/zinc/70/53/97/663705397.db2.gz HDTYKYNFPQLXAN-UHFFFAOYSA-N 1 0 388.375 2.885 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)c1cc2ncc(Br)cn2n1 ZINC000900216597 663709964 /nfs/dbraw/zinc/70/99/64/663709964.db2.gz WZJGRDXIAHSGTK-CYBMUJFWSA-N 1 0 394.317 2.876 20 0 GFADRO O=C(NCC1(c2cccc(Br)c2)CCOCC1)C12CC[NH+](CC1)C2 ZINC000900287866 663711681 /nfs/dbraw/zinc/71/16/81/663711681.db2.gz NXYSGSATIUFAAE-UHFFFAOYSA-N 1 0 393.325 2.709 20 0 GFADRO CC(C)[NH+]1CCN(CCC(=O)N[C@@H]2CCc3cc(Br)ccc32)CC1 ZINC000900347699 663713048 /nfs/dbraw/zinc/71/30/48/663713048.db2.gz ZISWPKYYSRNSJH-GOSISDBHSA-N 1 0 394.357 2.969 20 0 GFADRO C[NH+]1CCC(NCc2cn(Cc3ccc(Br)cc3Cl)nn2)CC1 ZINC000900535872 663716565 /nfs/dbraw/zinc/71/65/65/663716565.db2.gz DKCNAFVOMPFJOF-UHFFFAOYSA-N 1 0 398.736 2.926 20 0 GFADRO CCOc1ccc(Br)cc1NC(=O)C1C[NH+](C2CCOCC2)C1 ZINC000900546388 663716827 /nfs/dbraw/zinc/71/68/27/663716827.db2.gz CZPFENSSTRPLMW-UHFFFAOYSA-N 1 0 383.286 2.897 20 0 GFADRO C[C@](O)(Cn1cc([C@@H]([NH3+])c2ccc(Cl)cc2)nn1)C(F)(F)C(F)(F)F ZINC000900622359 663718259 /nfs/dbraw/zinc/71/82/59/663718259.db2.gz QBPXANMAXHDOIC-RYUDHWBXSA-N 1 0 384.736 2.928 20 0 GFADRO O=C(Nc1cc(Br)ccc1NC1CC1)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000900912189 663723673 /nfs/dbraw/zinc/72/36/73/663723673.db2.gz JZQVVPANTKVXLM-CQSZACIVSA-N 1 0 380.286 2.683 20 0 GFADRO O=C(N[C@H]1CCc2ncc(Br)n2C1)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000900926111 663725922 /nfs/dbraw/zinc/72/59/22/663725922.db2.gz HGDGQRNMTCIYAO-KGLIPLIRSA-N 1 0 395.345 2.731 20 0 GFADRO CCO[C@@H](CC[NH+](C)C)CNC(=O)c1c(C)ccc(F)c1Br ZINC000900993191 663728318 /nfs/dbraw/zinc/72/83/18/663728318.db2.gz HMNQSOJFKBRZHY-LBPRGKRZSA-N 1 0 375.282 2.983 20 0 GFADRO CC(C)[NH+]1CCN(CCCC(=O)N(C)Cc2cc(Br)cn2C)CC1 ZINC000901038403 663729129 /nfs/dbraw/zinc/72/91/29/663729129.db2.gz BHYTXIYHHGEQOM-UHFFFAOYSA-N 1 0 399.377 2.552 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCc2ncc(Br)n2C1)c1cn(-c2ccccc2)nn1 ZINC000901727147 663743747 /nfs/dbraw/zinc/74/37/47/663743747.db2.gz CVMHBSPUPLBQEM-QWHCGFSZSA-N 1 0 387.285 2.892 20 0 GFADRO C[C@H]([NH2+][C@H]1CCc2ncc(Br)n2C1)C(=O)N(C)Cc1ccccc1 ZINC000901729719 663743979 /nfs/dbraw/zinc/74/39/79/663743979.db2.gz SMRIXWRWJVPBCB-ZFWWWQNUSA-N 1 0 391.313 2.597 20 0 GFADRO C[C@H]([NH2+][C@H]1CCc2ncc(Br)n2C1)C(=O)N1CCc2ccccc21 ZINC000901730864 663744108 /nfs/dbraw/zinc/74/41/08/663744108.db2.gz YEVCLWQBHMJDIZ-JSGCOSHPSA-N 1 0 389.297 2.528 20 0 GFADRO CCn1ccnc1[C@@H](NCC1([NH3+])CC1)c1ccc(I)cc1 ZINC000902412506 663760945 /nfs/dbraw/zinc/76/09/45/663760945.db2.gz BPBYXLZQDRMBLO-AWEZNQCLSA-N 1 0 396.276 2.678 20 0 GFADRO CC[NH+]1CCC(NC(=O)CN=[S@@](=O)(c2ccccc2)C(F)(F)F)CC1 ZINC000902457881 663761423 /nfs/dbraw/zinc/76/14/23/663761423.db2.gz ZARFVLXTZZJOSG-RUZDIDTESA-N 1 0 377.432 2.634 20 0 GFADRO CNc1ccc(C)cc1C[NH2+][C@H]1Cc2cc(Br)cnc2NC1=O ZINC000902694152 663766265 /nfs/dbraw/zinc/76/62/65/663766265.db2.gz YAPOIAMEQXTWHF-HNNXBMFYSA-N 1 0 375.270 2.847 20 0 GFADRO C[C@@H]([NH2+]C[C@@]1(N2CCOCC2)CCSC1)c1ccc(C(F)(F)F)cn1 ZINC000902765793 663767236 /nfs/dbraw/zinc/76/72/36/663767236.db2.gz BZKNYTIFZUPTDE-CJNGLKHVSA-N 1 0 375.460 2.959 20 0 GFADRO C[NH+](C)CCOCCNC(=O)C(F)(F)c1ncc(C(F)(F)F)cc1Cl ZINC000902918081 663769416 /nfs/dbraw/zinc/76/94/16/663769416.db2.gz HZRHDZRMFDYQNP-UHFFFAOYSA-N 1 0 389.752 2.540 20 0 GFADRO C[C@@H](CN1CCCC1=O)[NH2+][C@@H](C)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000903075612 663772477 /nfs/dbraw/zinc/77/24/77/663772477.db2.gz ALJGEOXLVNPODH-RYUDHWBXSA-N 1 0 378.416 2.642 20 0 GFADRO Brc1ccc(N2CC[C@H](C[NH2+][C@H]3CCO[C@@]34CCOC4)C2)cc1 ZINC000903082288 663772659 /nfs/dbraw/zinc/77/26/59/663772659.db2.gz YEMKRUUIJZSDEV-FHLIZLRMSA-N 1 0 381.314 2.813 20 0 GFADRO C[C@H]([NH2+]CCCO[C@H]1CCOC1)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000903109392 663773946 /nfs/dbraw/zinc/77/39/46/663773946.db2.gz FKMVGCUUSRPPEW-JSGCOSHPSA-N 1 0 381.416 2.826 20 0 GFADRO CCOC(=O)C(F)(F)[C@@H]1CC[C@H]([NH2+]CC2CCC(S(C)(=O)=O)CC2)C1 ZINC000903155428 663776366 /nfs/dbraw/zinc/77/63/66/663776366.db2.gz XJPZYCFHCTWPKE-FUUBYGMNSA-N 1 0 381.485 2.547 20 0 GFADRO C[C@@H]([NH2+][C@@H](C)C(=O)N1CCCC1)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000903167399 663776736 /nfs/dbraw/zinc/77/67/36/663776736.db2.gz JWDICHWXEWGRPS-NEPJUHHUSA-N 1 0 378.416 2.642 20 0 GFADRO C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CC[C@H]1CC(=O)N(C)C1 ZINC000903221403 663778918 /nfs/dbraw/zinc/77/89/18/663778918.db2.gz ZDNCLLFLTCDGPC-STQMWFEESA-N 1 0 382.302 2.624 20 0 GFADRO CS(C)(=O)=NS(=O)(=O)CC[NH2+][C@H](c1ccc(F)cc1)C1CCCC1 ZINC000903227861 663779227 /nfs/dbraw/zinc/77/92/27/663779227.db2.gz VYNCKDIABFQGFH-INIZCTEOSA-N 1 0 376.519 2.704 20 0 GFADRO C[C@H]([NH2+]C[C@@H]1CCCC[C@H]1NS(C)(=O)=O)c1ccc(Br)nc1 ZINC000903232496 663779873 /nfs/dbraw/zinc/77/98/73/663779873.db2.gz AKCXFHGNDWUDRB-FPMFFAJLSA-N 1 0 390.347 2.603 20 0 GFADRO C[C@H]([NH2+]C[C@@H]1CCCC[C@@H]1NS(C)(=O)=O)c1ccc(Br)nc1 ZINC000903232501 663779913 /nfs/dbraw/zinc/77/99/13/663779913.db2.gz AKCXFHGNDWUDRB-UBHSHLNASA-N 1 0 390.347 2.603 20 0 GFADRO C[C@@H]([NH2+][C@@H](C)c1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cncs1 ZINC000903311551 663781301 /nfs/dbraw/zinc/78/13/01/663781301.db2.gz PWNPLZBNZJUVIH-UONOGXRCSA-N 1 0 381.523 2.576 20 0 GFADRO CCOC(=O)C(F)(F)[C@@H]1CC[C@@H]([NH2+]Cc2ncc(Br)cn2)C1 ZINC000903320471 663781521 /nfs/dbraw/zinc/78/15/21/663781521.db2.gz IYNGQYPXKFEIMM-MWLCHTKSSA-N 1 0 378.217 2.696 20 0 GFADRO Brc1cnc(C[NH2+]C2CCN(OCc3ccccc3)CC2)nc1 ZINC000903322232 663781670 /nfs/dbraw/zinc/78/16/70/663781670.db2.gz BEYMLZIARNKLNL-UHFFFAOYSA-N 1 0 377.286 2.925 20 0 GFADRO CO[C@@]1(C[NH2+][C@@H](C)c2cc(C)c(Br)s2)CCS(=O)(=O)C1 ZINC000903361659 663782523 /nfs/dbraw/zinc/78/25/23/663782523.db2.gz AHBQHWPKLHKDNE-GXFFZTMASA-N 1 0 382.345 2.673 20 0 GFADRO CO[C@]1(C[NH2+][C@@H](C)c2ccc(OC(C)C)c(Cl)c2)CCS(=O)(=O)C1 ZINC000903364089 663782855 /nfs/dbraw/zinc/78/28/55/663782855.db2.gz UCTPZEASFVIGTG-GUYCJALGSA-N 1 0 375.918 2.982 20 0 GFADRO CO[C@]1(C[NH2+][C@@H](C)[C@H](C)Oc2ccc(Cl)cc2Cl)CCS(=O)(=O)C1 ZINC000903366596 663783025 /nfs/dbraw/zinc/78/30/25/663783025.db2.gz DNLVIMRCFYJROM-MKBNYLNASA-N 1 0 396.336 2.943 20 0 GFADRO C[C@@H]1C[C@H]([NH2+]CCCn2ccc(=O)[nH]c2=O)c2cccc(Br)c21 ZINC000903432011 663784574 /nfs/dbraw/zinc/78/45/74/663784574.db2.gz FHIRDUKHGMFCSS-RISCZKNCSA-N 1 0 378.270 2.940 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCN(c2cn[nH]c(=O)c2Cl)C1)c1ccc([S@@](C)=O)cc1 ZINC000903433912 663784719 /nfs/dbraw/zinc/78/47/19/663784719.db2.gz GWPXJSGGXYCSFS-BPJJKHAOSA-N 1 0 380.901 2.503 20 0 GFADRO OC1(C(F)(F)F)CCC([NH2+][C@@H]2CCc3ncc(Br)n3C2)CC1 ZINC000903480018 663785539 /nfs/dbraw/zinc/78/55/39/663785539.db2.gz UPCHMKADMUQVSU-RUETXSTFSA-N 1 0 382.224 2.786 20 0 GFADRO C[C@@H](NS(=O)(=O)Cc1cccc(Cl)c1Br)[C@H]1CCC[NH2+]C1 ZINC000903513221 663786252 /nfs/dbraw/zinc/78/62/52/663786252.db2.gz YQSCRACMKJZFJR-MNOVXSKESA-N 1 0 395.750 2.910 20 0 GFADRO [NH3+][C@@H]1CN([C@H]2CCc3cc(Br)ccc3NC2=O)C[C@H]1C(F)(F)F ZINC000903514019 663786408 /nfs/dbraw/zinc/78/64/08/663786408.db2.gz ZCBWRQZDHPIYDN-WZRBSPASSA-N 1 0 392.219 2.524 20 0 GFADRO C[C@@H]1C[NH2+]C[C@H]1CCNS(=O)(=O)Cc1cccc(Cl)c1Br ZINC000903548853 663788419 /nfs/dbraw/zinc/78/84/19/663788419.db2.gz IGEPBOOMDVLPGN-GHMZBOCLSA-N 1 0 395.750 2.768 20 0 GFADRO O=S(=O)(NC1(C2CC[NH2+]CC2)CC1)c1cc(Br)sc1Cl ZINC000903557954 663788692 /nfs/dbraw/zinc/78/86/92/663788692.db2.gz JRQXUXVPYYXHMQ-UHFFFAOYSA-N 1 0 399.763 2.975 20 0 GFADRO O=S(=O)(NC1(C2CC[NH2+]CC2)CC1)c1cccc(OC(F)(F)F)c1F ZINC000903558737 663788779 /nfs/dbraw/zinc/78/87/79/663788779.db2.gz YFAVFUYVJSEEIH-UHFFFAOYSA-N 1 0 382.379 2.535 20 0 GFADRO NC(=O)[C@@H](c1cccc(Br)c1)N1C[C@H](C[NH3+])Cc2cc(F)ccc21 ZINC000903567973 663788859 /nfs/dbraw/zinc/78/88/59/663788859.db2.gz HJVDWTKCJDOFIC-APPDUMDISA-N 1 0 392.272 2.752 20 0 GFADRO Cc1cc(S(=O)(=O)N[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)sc1C ZINC000903573424 663789403 /nfs/dbraw/zinc/78/94/03/663789403.db2.gz IJHHWABPJKXPLD-CRAIPNDOSA-N 1 0 378.519 2.899 20 0 GFADRO O=S(=O)(N[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccccc1Cl ZINC000903573871 663789643 /nfs/dbraw/zinc/78/96/43/663789643.db2.gz MGSFAQGQTLCSMK-MAUKXSAKSA-N 1 0 378.881 2.874 20 0 GFADRO [NH3+][C@@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)s2)CC[C@@H]1C(F)(F)F ZINC000903580191 663790224 /nfs/dbraw/zinc/79/02/24/663790224.db2.gz SRWZNRMXJQSALU-NKWVEPMBSA-N 1 0 382.351 2.667 20 0 GFADRO [NH3+]C[C@H]1Cc2cc(F)ccc2N(S(=O)(=O)c2ccc(Cl)nc2Cl)C1 ZINC000903588621 663790790 /nfs/dbraw/zinc/79/07/90/663790790.db2.gz MLIPJCSMQCTCRF-SECBINFHSA-N 1 0 390.267 2.854 20 0 GFADRO [NH3+]CCc1ccc2c(c1)CCCN2S(=O)(=O)c1c(Cl)nc2sccn21 ZINC000903599538 663791483 /nfs/dbraw/zinc/79/14/83/663791483.db2.gz UPTIJVHQBQJIQM-UHFFFAOYSA-N 1 0 396.925 2.692 20 0 GFADRO Brc1ccc([C@@H]2CN(C[C@H]3C[C@]4(CC[NH2+]C4)CO3)CCO2)cc1 ZINC000903727140 663805351 /nfs/dbraw/zinc/80/53/51/663805351.db2.gz QWCDBTHBPNVFON-SQNIBIBYSA-N 1 0 381.314 2.591 20 0 GFADRO Brc1ccc([C@@H]2COCCN2C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)cc1 ZINC000903767146 663806112 /nfs/dbraw/zinc/80/61/12/663806112.db2.gz UTEDQYGMZSQKPR-BZSNNMDCSA-N 1 0 381.314 2.591 20 0 GFADRO COC(=O)c1cc(Br)c(CN2CCC[C@]23CC[NH2+]C3)cc1OC ZINC000903869160 663809477 /nfs/dbraw/zinc/80/94/77/663809477.db2.gz COHYNEDVKIUMNA-QGZVFWFLSA-N 1 0 383.286 2.572 20 0 GFADRO COC[C@H]1C[NH2+]CCN1CC(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000903875615 663809808 /nfs/dbraw/zinc/80/98/08/663809808.db2.gz GAVYDRMIRKUCES-RHSMWYFYSA-N 1 0 386.323 2.577 20 0 GFADRO Cc1c(C[C@@H](C[NH3+])CN2CCc3cc(Br)ccc3C2)cnn1C ZINC000903911107 663811145 /nfs/dbraw/zinc/81/11/45/663811145.db2.gz WZWLOTLHARWJDX-AWEZNQCLSA-N 1 0 377.330 2.667 20 0 GFADRO C[C@H]1Cc2ccc(Br)cc2CN1Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903914871 663811430 /nfs/dbraw/zinc/81/14/30/663811430.db2.gz LPHYOTYAJOTFGO-SUMWQHHRSA-N 1 0 390.329 2.912 20 0 GFADRO Cc1c(C[C@H](C[NH3+])CN2CCOc3cccc(Br)c3C2)cnn1C ZINC000903932647 663812533 /nfs/dbraw/zinc/81/25/33/663812533.db2.gz UURTUZDXYNWQIZ-CQSZACIVSA-N 1 0 393.329 2.503 20 0 GFADRO FC1(F)CC[NH2+]C[C@@H]1CNCc1cn(-c2ccc(Cl)cc2Cl)nn1 ZINC000903956101 663813584 /nfs/dbraw/zinc/81/35/84/663813584.db2.gz GWIWBYLMDZIGQR-SNVBAGLBSA-N 1 0 376.238 2.909 20 0 GFADRO COc1cc(Br)c(Cc2noc([C@H]3[C@@H]4CC[NH2+]C[C@@H]43)n2)cc1OC ZINC000904101081 663824149 /nfs/dbraw/zinc/82/41/49/663824149.db2.gz LWWVBZAYLKEWTJ-GDLVEWKHSA-N 1 0 394.269 2.763 20 0 GFADRO CC1(C)C[NH2+]C[C@H]1c1nc(Cc2cc3c(cc2Br)OCO3)no1 ZINC000904102884 663824200 /nfs/dbraw/zinc/82/42/00/663824200.db2.gz GNVOUVCCXUZYMO-JTQLQIEISA-N 1 0 380.242 2.865 20 0 GFADRO CSCC[C@@H](N)c1nc(CC(=O)Nc2ccccc2Br)no1 ZINC000904110383 663824721 /nfs/dbraw/zinc/82/47/21/663824721.db2.gz RUGYRPVAAOLNDN-SNVBAGLBSA-N 1 0 385.287 2.766 20 0 GFADRO COCC1(c2noc([C@@H](N)c3ccc(Br)cc3)n2)CCOCC1 ZINC000904121726 663825373 /nfs/dbraw/zinc/82/53/73/663825373.db2.gz VLORCCBLMZEMLF-ZDUSSCGKSA-N 1 0 382.258 2.575 20 0 GFADRO Cc1cc(I)ccc1NC(=O)N1CC[C@@H]2CC[C@]21C[NH3+] ZINC000904274004 663829919 /nfs/dbraw/zinc/82/99/19/663829919.db2.gz HTIJUBIFZOBPHM-NHYWBVRUSA-N 1 0 385.249 2.945 20 0 GFADRO [NH3+]C[C@]12CC[C@@H]1CCCN2C(=O)Nc1cc2c(cc1Br)OCCO2 ZINC000904279402 663829951 /nfs/dbraw/zinc/82/99/51/663829951.db2.gz UTFBDCOUAINRCC-APPDUMDISA-N 1 0 396.285 2.956 20 0 GFADRO COC(=O)c1cc(NC(=O)N2CCC[C@H]3CC[C@]32C[NH3+])ccc1Br ZINC000904406592 663833067 /nfs/dbraw/zinc/83/30/67/663833067.db2.gz HNEFVXKZLCBUKO-GTNSWQLSSA-N 1 0 396.285 2.971 20 0 GFADRO COCC[C@@H]1C[NH2+]CCN1C(=O)Nc1cccc2c(Br)ccnc12 ZINC000904494678 663836308 /nfs/dbraw/zinc/83/63/08/663836308.db2.gz PDMKQHSZSUFBES-GFCCVEGCSA-N 1 0 393.285 2.840 20 0 GFADRO [NH3+][C@@H]1CN(C(=O)Nc2ccnn2Cc2ccc(Cl)s2)C[C@H]1C(F)(F)F ZINC000904548559 663837515 /nfs/dbraw/zinc/83/75/15/663837515.db2.gz LJPDVZFYRGBKGJ-NXEZZACHSA-N 1 0 393.822 3.000 20 0 GFADRO COCCOc1ccc(NC(=O)N[C@H]2CC[NH2+][C@@H](C)C2)cc1Br ZINC000904550534 663837682 /nfs/dbraw/zinc/83/76/82/663837682.db2.gz GONXRDBGCDPZCI-AAEUAGOBSA-N 1 0 386.290 2.736 20 0 GFADRO O[C@H](CCC1(O)CCC1)C[NH2+]C[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000905067855 663851295 /nfs/dbraw/zinc/85/12/95/663851295.db2.gz IQZVUYJKUFUQPH-MAUKXSAKSA-N 1 0 397.357 2.921 20 0 GFADRO COc1cc(C[NH2+]C[C@@H](O)CCC2(O)CCC2)cc(Br)c1OC ZINC000905084438 663851916 /nfs/dbraw/zinc/85/19/16/663851916.db2.gz ZSNYBZBQMRIEOC-ZDUSSCGKSA-N 1 0 388.302 2.612 20 0 GFADRO CN(CCc1ccccn1)C(=O)C[NH2+]C[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC000905089088 663852117 /nfs/dbraw/zinc/85/21/17/663852117.db2.gz MJSWVXYIDAZNQG-KRWDZBQOSA-N 1 0 382.291 2.713 20 0 GFADRO O[C@@H](C[NH2+][C@@H]1CCN(c2ccc(Br)cc2)C1)CC1(O)CCCC1 ZINC000905099159 663852758 /nfs/dbraw/zinc/85/27/58/663852758.db2.gz YZDXTSARFMKTSL-NVXWUHKLSA-N 1 0 383.330 2.674 20 0 GFADRO O[C@@H](CCC1(O)CCC1)C[NH2+][C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000905095911 663852820 /nfs/dbraw/zinc/85/28/20/663852820.db2.gz HMZILVMNAWNODQ-WBVHZDCISA-N 1 0 383.330 2.674 20 0 GFADRO Cn1ccc(N2CCC[C@H]([NH2+]C[C@H](O)c3ccc(Cl)c(Cl)c3)C2=O)n1 ZINC000905139945 663854946 /nfs/dbraw/zinc/85/49/46/663854946.db2.gz UQLSXDHEFQFNTK-GJZGRUSLSA-N 1 0 383.279 2.546 20 0 GFADRO O[C@@H](C[NH2+]CCSCc1ccc(Cl)cc1Cl)C[C@]1(O)CCOC1 ZINC000905198687 663858030 /nfs/dbraw/zinc/85/80/30/663858030.db2.gz BJDJLIJBEKFNOT-GDBMZVCRSA-N 1 0 380.337 2.719 20 0 GFADRO Brc1ccc(-c2nc(CC3CC[NH2+]CC3)no2)c(-n2cncn2)c1 ZINC000905311031 663865234 /nfs/dbraw/zinc/86/52/34/663865234.db2.gz PBIOEXJREKVAAD-UHFFFAOYSA-N 1 0 389.257 2.622 20 0 GFADRO CC1(C)C[NH2+][C@@H]1C1CCN(S(=O)(=O)c2c(Cl)ccnc2Cl)CC1 ZINC000905356291 663867242 /nfs/dbraw/zinc/86/72/42/663867242.db2.gz MLJFIGVSAFCNGU-CYBMUJFWSA-N 1 0 378.325 2.787 20 0 GFADRO CO[C@H]1C[C@H](C[NH2+]C[C@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000905423217 663870742 /nfs/dbraw/zinc/87/07/42/663870742.db2.gz MWTREWRBCJNLGO-DRZSPHRISA-N 1 0 378.694 2.857 20 0 GFADRO C[C@@](O)(C[NH2+]C[C@@H](CO)Cc1ccoc1)c1ccc(Br)cc1F ZINC000905420307 663870783 /nfs/dbraw/zinc/87/07/83/663870783.db2.gz RMUWLJFPCONECB-SUMWQHHRSA-N 1 0 386.261 2.830 20 0 GFADRO C[C@H](OC[C@H](O)C[NH2+]C[C@H](O)C(F)(F)C(F)(F)F)c1ccc(Cl)cc1 ZINC000905446733 663871673 /nfs/dbraw/zinc/87/16/73/663871673.db2.gz LBNBIHNHHKQCPO-BIMULSAOSA-N 1 0 391.764 2.927 20 0 GFADRO Cn1cc(C[NH2+]C[C@H](O)Cc2ccccc2C(F)(F)F)c(Br)n1 ZINC000905521155 663876111 /nfs/dbraw/zinc/87/61/11/663876111.db2.gz QLHNCAWWQLUPTF-GFCCVEGCSA-N 1 0 392.219 2.895 20 0 GFADRO O[C@@H](C[NH2+]CC1(C2(O)CCOCC2)CC1)COc1ccc(Cl)cc1Cl ZINC000905550527 663878118 /nfs/dbraw/zinc/87/81/18/663878118.db2.gz GMYMVKYETCPZQY-AWEZNQCLSA-N 1 0 390.307 2.644 20 0 GFADRO O[C@H](CC[C@H](O)c1ccccc1)C[NH2+]CC1(n2cc(Br)cn2)CC1 ZINC000905587338 663880132 /nfs/dbraw/zinc/88/01/32/663880132.db2.gz OKODHLGOMNPNCY-SJORKVTESA-N 1 0 394.313 2.599 20 0 GFADRO C[C@@]1([C@@H]2CCCN(Cn3ncc4c3cccc4Br)C2)COC(=O)N1 ZINC000905709245 663888160 /nfs/dbraw/zinc/88/81/60/663888160.db2.gz ZIQROOGMHPBUAO-PXAZEXFGSA-N 1 0 393.285 2.967 20 0 GFADRO [NH3+]C1CCN(Cc2cn(Cc3cc(Br)ccc3Cl)nn2)CC1 ZINC000905798205 663892958 /nfs/dbraw/zinc/89/29/58/663892958.db2.gz BFEPFCWYQSHWKZ-UHFFFAOYSA-N 1 0 384.709 2.665 20 0 GFADRO CC[C@@H](c1ccc(Br)cc1)n1cc(CN2CCC([NH3+])CC2)nn1 ZINC000905806841 663893390 /nfs/dbraw/zinc/89/33/90/663893390.db2.gz GWUXUXIUBWXVPN-KRWDZBQOSA-N 1 0 378.318 2.963 20 0 GFADRO CC(C)[N@@H+]1CCC[C@H]1C(=O)N(Cc1ncc[nH]1)c1cncc(Br)c1 ZINC000905984929 663905456 /nfs/dbraw/zinc/90/54/56/663905456.db2.gz RGQWRJPDCHFVKT-HNNXBMFYSA-N 1 0 392.301 2.973 20 0 GFADRO Cc1cc(OCC(=O)Nc2cnn(CC[NH+](C)C)c2)ccc1Br ZINC000906483588 663951983 /nfs/dbraw/zinc/95/19/83/663951983.db2.gz LCXANZAKVGZTTQ-UHFFFAOYSA-N 1 0 381.274 2.533 20 0 GFADRO CC1=C(Br)CN(C(=O)C(=O)Nc2ccc(C(C)(C)[NH3+])cc2)CC1 ZINC000906666459 663964005 /nfs/dbraw/zinc/96/40/05/663964005.db2.gz PPFZCEMRDPQOOT-UHFFFAOYSA-N 1 0 380.286 2.720 20 0 GFADRO C[C@H](CC[NH+](C)C)NC(=O)c1ccc(Cn2cc(Br)cn2)s1 ZINC000906678316 663964792 /nfs/dbraw/zinc/96/47/92/663964792.db2.gz GVSAVUZQIVGAGN-LLVKDONJSA-N 1 0 385.331 2.825 20 0 GFADRO O=S(=O)(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1c[nH]c2c1cccc2Br ZINC000906846122 663976248 /nfs/dbraw/zinc/97/62/48/663976248.db2.gz OMTMRNQFVPNFCE-VXGBXAGGSA-N 1 0 398.326 2.836 20 0 GFADRO O=S(=O)(c1c[nH]c2ncc(Cl)cc12)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000906961265 663986858 /nfs/dbraw/zinc/98/68/58/663986858.db2.gz FJDNPZNZLKNRSX-CQSZACIVSA-N 1 0 382.917 2.855 20 0 GFADRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3cc(Br)cn(C4CC4)c3=O)CC[C@@H]21 ZINC000907038715 663995709 /nfs/dbraw/zinc/99/57/09/663995709.db2.gz ULAZDMNLHSOZKV-LRDDRELGSA-N 1 0 394.313 2.502 20 0 GFADRO CC[N@@H+]1C[C@H](C)N(C(=O)c2cc(Br)cn(C3CC3)c2=O)C[C@H]1C ZINC000907174079 664009121 /nfs/dbraw/zinc/00/91/21/664009121.db2.gz FMZFCBWUUIASJN-NEPJUHHUSA-N 1 0 382.302 2.500 20 0 GFADRO C[NH+]1CCC(C)(CNC(=O)C(F)(F)c2ncccc2Br)CC1 ZINC000907261602 664016819 /nfs/dbraw/zinc/01/68/19/664016819.db2.gz RHKTWFVCPDSONY-UHFFFAOYSA-N 1 0 376.245 2.784 20 0 GFADRO C[NH+](C)Cc1ccsc1C(=O)N[C@H]1CCc2ncc(Br)n2C1 ZINC000907279127 664018674 /nfs/dbraw/zinc/01/86/74/664018674.db2.gz QPQKZBZGMAIZRG-NSHDSACASA-N 1 0 383.315 2.514 20 0 GFADRO Cc1cc(CS(=O)(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccc(C)s3)C2)on1 ZINC000907344213 664025750 /nfs/dbraw/zinc/02/57/50/664025750.db2.gz DOUVUHZANDFSCM-HNNXBMFYSA-N 1 0 383.539 2.637 20 0 GFADRO C[NH+](C)CCn1nccc1C(=O)NCC[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC000907743210 664057795 /nfs/dbraw/zinc/05/77/95/664057795.db2.gz JHZNHKHGONATFS-INIZCTEOSA-N 1 0 385.295 2.605 20 0 GFADRO CC(C)n1cc(Br)c(C(=O)N2CC[N@@H+](C3CCOCC3)C[C@H]2C)n1 ZINC000907806195 664063247 /nfs/dbraw/zinc/06/32/47/664063247.db2.gz FKXNRMANYQYXJX-CYBMUJFWSA-N 1 0 399.333 2.552 20 0 GFADRO C[N@@H+]1CCC[C@@](O)(CC(=O)Nc2c(O)cc(Br)cc2Cl)C1 ZINC000908155904 664088451 /nfs/dbraw/zinc/08/84/51/664088451.db2.gz LDHDNTSMHIHQQW-CQSZACIVSA-N 1 0 377.666 2.593 20 0 GFADRO C/C=C\[C@H](O)C(=O)N(Cc1ccccc1Br)C1CC[NH+](C)CC1 ZINC000908262206 664095904 /nfs/dbraw/zinc/09/59/04/664095904.db2.gz SSEDJIGFAMGRPA-SVEBXFOSSA-N 1 0 381.314 2.809 20 0 GFADRO C[NH+]1CCC(N(Cc2ccccc2Br)C(=O)Cc2cnc[nH]2)CC1 ZINC000908262351 664095957 /nfs/dbraw/zinc/09/59/57/664095957.db2.gz VBYCPBNZPXLFSV-UHFFFAOYSA-N 1 0 391.313 2.838 20 0 GFADRO C[C@H]1CN(C(=O)c2nn3c(c2Br)CCC3)CC[N@@H+](C2CCC2)C1 ZINC000908356866 664101512 /nfs/dbraw/zinc/10/15/12/664101512.db2.gz CJNHVQFPFJDDRN-GFCCVEGCSA-N 1 0 381.318 2.538 20 0 GFADRO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1ccc(Cn2cc(Br)cn2)s1 ZINC000908416954 664104958 /nfs/dbraw/zinc/10/49/58/664104958.db2.gz UTVFWFVMZYEQTD-RISCZKNCSA-N 1 0 397.342 2.920 20 0 GFADRO O=C(N[C@H](c1nccs1)C(F)(F)F)C1CCC([NH+]2CCOCC2)CC1 ZINC000908429241 664105968 /nfs/dbraw/zinc/10/59/68/664105968.db2.gz YKQAVPPOSPXSRK-WXRRBKDZSA-N 1 0 377.432 2.754 20 0 GFADRO CC(C)[NH2+]C1(CO)CCN(C(=O)CSc2nc3ccccc3s2)CC1 ZINC000908586205 664115782 /nfs/dbraw/zinc/11/57/82/664115782.db2.gz ZYWHSFZSHJPPKF-UHFFFAOYSA-N 1 0 379.551 2.740 20 0 GFADRO CC(C)[NH2+]C1(CO)CCN(C(=O)c2[nH]c3ccccc3c2Br)CC1 ZINC000908594158 664115991 /nfs/dbraw/zinc/11/59/91/664115991.db2.gz QKVCHAQVGLKIPY-UHFFFAOYSA-N 1 0 394.313 2.896 20 0 GFADRO CC(C)[NH2+]C1(CO)CCN(C(=O)COc2cc(Cl)cc(Cl)c2)CC1 ZINC000908599131 664116692 /nfs/dbraw/zinc/11/66/92/664116692.db2.gz PNIQYOWDCXQJHK-UHFFFAOYSA-N 1 0 375.296 2.724 20 0 GFADRO CC(C)[NH2+]C1(CO)CCN(C(=O)c2cc(F)c(Cl)c(N)c2Cl)CC1 ZINC000908610294 664117762 /nfs/dbraw/zinc/11/77/62/664117762.db2.gz VNILOBHXSNDRMS-UHFFFAOYSA-N 1 0 378.275 2.680 20 0 GFADRO CC(C)(C[NH+]1CCCC1)NC(=O)c1cc(Br)cn(C2CC2)c1=O ZINC000909430706 664158706 /nfs/dbraw/zinc/15/87/06/664158706.db2.gz HEBBAWFZJONYKA-UHFFFAOYSA-N 1 0 382.302 2.550 20 0 GFADRO CC[N@@H+]1CCCN(C(=O)C[C@@](O)(c2nc(C)cs2)C(F)(F)F)[C@H](C)C1 ZINC000910290527 664204694 /nfs/dbraw/zinc/20/46/94/664204694.db2.gz YIIWYNPYXUAGEN-IUODEOHRSA-N 1 0 379.448 2.534 20 0 GFADRO CC(C)[N@H+](CCO)CC1CCN(C(=O)Cc2ccccc2Br)CC1 ZINC000910862334 664230197 /nfs/dbraw/zinc/23/01/97/664230197.db2.gz ZHNDZTLPBNCXQR-UHFFFAOYSA-N 1 0 397.357 2.933 20 0 GFADRO C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)C(=O)NCC[C@@H]1C[NH2+]C[C@H]1C ZINC000911389494 664244555 /nfs/dbraw/zinc/24/45/55/664244555.db2.gz SQIWKNKUKKMZFA-JHJVBQTASA-N 1 0 386.323 2.875 20 0 GFADRO [NH3+]C1CCN(C(=O)c2c(Cl)ccc(I)c2F)CC1 ZINC000911623210 664250705 /nfs/dbraw/zinc/25/07/05/664250705.db2.gz DEZWBBNRFCHXHJ-UHFFFAOYSA-N 1 0 382.604 2.647 20 0 GFADRO Brc1nnc(-c2ccc(N3CC[NH+](C[C@H]4CCCO4)CC3)cc2)o1 ZINC000911637258 664251188 /nfs/dbraw/zinc/25/11/88/664251188.db2.gz SGSUWGWMPFSZNJ-OAHLLOKOSA-N 1 0 393.285 2.800 20 0 GFADRO C[C@@H]1CN(C(=O)c2ccc(Cn3cc(Br)cn3)s2)C[C@@H](C)[NH2+]1 ZINC000911799500 664256697 /nfs/dbraw/zinc/25/66/97/664256697.db2.gz YZDWPQQSHQOSOJ-GHMZBOCLSA-N 1 0 383.315 2.578 20 0 GFADRO Cc1cc(C(=O)N2CC[C@@H]([NH3+])[C@@H](C)C2)nn1-c1ccccc1Br ZINC000911820133 664257241 /nfs/dbraw/zinc/25/72/41/664257241.db2.gz FTBXIPYEXLNVSJ-SMDDNHRTSA-N 1 0 377.286 2.753 20 0 GFADRO O=C(c1cc(Br)cc2[nH]c(=O)[nH]c21)N1CCC([NH2+]CC2CC2)CC1 ZINC000911839685 664258313 /nfs/dbraw/zinc/25/83/13/664258313.db2.gz AACMJWIUBNHYBO-UHFFFAOYSA-N 1 0 393.285 2.635 20 0 GFADRO O[C@@H]1CCC[C@H]1[NH+]1CCN(c2ccc(-c3nnc(Br)o3)cc2)CC1 ZINC000911855061 664258984 /nfs/dbraw/zinc/25/89/84/664258984.db2.gz DWKGRLLKTMFUAU-HUUCEWRRSA-N 1 0 393.285 2.535 20 0 GFADRO C[NH+]1CCC(N(CCO)C(=O)Cc2csc(-c3ccc(Cl)s3)n2)CC1 ZINC000911936036 664262583 /nfs/dbraw/zinc/26/25/83/664262583.db2.gz BIWSIFXCEKZDOK-UHFFFAOYSA-N 1 0 399.969 2.983 20 0 GFADRO C[NH+]1CCC(N(CCO)C(=O)c2cc(Cl)c(Br)cc2F)CC1 ZINC000911941453 664262820 /nfs/dbraw/zinc/26/28/20/664262820.db2.gz AIGIZEOKHJFNBJ-UHFFFAOYSA-N 1 0 393.684 2.770 20 0 GFADRO [NH3+][C@H]1CCCn2nc(C(=O)Nc3cccc(I)c3)cc21 ZINC000911944169 664263273 /nfs/dbraw/zinc/26/32/73/664263273.db2.gz YZXZQIAVXBKODH-NSHDSACASA-N 1 0 382.205 2.534 20 0 GFADRO C[C@H](c1ccc(F)cc1)N(C)C(=O)c1cc(Br)cn(CC[NH3+])c1=O ZINC000912159685 664272285 /nfs/dbraw/zinc/27/22/85/664272285.db2.gz NMTLFZZLVCQCBN-LLVKDONJSA-N 1 0 396.260 2.542 20 0 GFADRO O=C(NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1ccnc(Cl)c1Cl ZINC000912385600 664284598 /nfs/dbraw/zinc/28/45/98/664284598.db2.gz IXRFOIQYVDZOMP-AWEZNQCLSA-N 1 0 380.275 2.885 20 0 GFADRO CC[N@H+](CC(=O)N[C@@H](c1nccn1C)c1ccc(Br)cc1)C1CC1 ZINC000912679526 664297618 /nfs/dbraw/zinc/29/76/18/664297618.db2.gz XDWKBRDSDRIGBF-QGZVFWFLSA-N 1 0 391.313 2.873 20 0 GFADRO CC(C)[NH+]1CCN(CCC(=O)NC[C@@H](O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000912696010 664298259 /nfs/dbraw/zinc/29/82/59/664298259.db2.gz YMNQQJDSUARGRI-QGZVFWFLSA-N 1 0 388.339 2.559 20 0 GFADRO CCc1cc(C(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)ccc1Br ZINC000912714915 664299217 /nfs/dbraw/zinc/29/92/17/664299217.db2.gz JCJYWDGNJPQEPE-MRXNPFEDSA-N 1 0 381.314 2.683 20 0 GFADRO O=C(NC[C@@H]1CCC[N@H+](CC2CC2)C1)c1cccn2ncc(Br)c12 ZINC000912764733 664300839 /nfs/dbraw/zinc/30/08/39/664300839.db2.gz IVSQFOYCKKEWOP-AWEZNQCLSA-N 1 0 391.313 2.949 20 0 GFADRO O=C(N1CCC([NH+]2CCC2)CC1)C1(c2cccc(Br)c2)CC(=O)C1 ZINC000912873067 664307048 /nfs/dbraw/zinc/30/70/48/664307048.db2.gz HLXTUAUBVXZOAA-UHFFFAOYSA-N 1 0 391.309 2.747 20 0 GFADRO O=C(c1cnn(-c2ccc(Br)cc2)c1)N1CC[C@H]([NH+]2CCC2)C1 ZINC000912920529 664310181 /nfs/dbraw/zinc/31/01/81/664310181.db2.gz XPRKHFWQQRULCG-INIZCTEOSA-N 1 0 375.270 2.555 20 0 GFADRO C[NH+](C)CCn1nccc1C(=O)N1CC(Cc2cccc(Br)c2)C1 ZINC000913094867 664323240 /nfs/dbraw/zinc/32/32/40/664323240.db2.gz XMYXRXZWQVDYAG-UHFFFAOYSA-N 1 0 391.313 2.522 20 0 GFADRO C[NH+]1C[C@]2(C)CN(C(=O)C3(c4cncc(Br)c4)CC3)C[C@@]2(C)C1 ZINC000913278862 664331085 /nfs/dbraw/zinc/33/10/85/664331085.db2.gz LZLSCBKZFNFGTM-IAGOWNOFSA-N 1 0 378.314 2.676 20 0 GFADRO Cn1c(SCC(=O)N2CCC(C)([NH+](C)C)CC2)nnc1-c1cccs1 ZINC000913399004 664334940 /nfs/dbraw/zinc/33/49/40/664334940.db2.gz RONKBZNWNCJDCQ-UHFFFAOYSA-N 1 0 379.555 2.578 20 0 GFADRO Cc1csc([C@@](O)(CC(=O)N2CCC(C)([NH+](C)C)CC2)C(F)(F)F)n1 ZINC000913398159 664335010 /nfs/dbraw/zinc/33/50/10/664335010.db2.gz GGUOOFDVKLGJBT-HNNXBMFYSA-N 1 0 379.448 2.534 20 0 GFADRO CC[NH+]1CCC(NC(=O)N2CCCC[C@H]2c2ncc(Br)cn2)CC1 ZINC000913894244 664364214 /nfs/dbraw/zinc/36/42/14/664364214.db2.gz NKVPJFXJPYBAOQ-HNNXBMFYSA-N 1 0 396.333 2.960 20 0 GFADRO O=S(=O)(c1cscc1C(F)F)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000914016659 664371960 /nfs/dbraw/zinc/37/19/60/664371960.db2.gz CHOCOJPCYCPTIC-UHFFFAOYSA-N 1 0 394.509 2.809 20 0 GFADRO CC(C)[C@H](CNC(=O)NCc1cnc(Br)cn1)[NH+]1CCC(C)CC1 ZINC000914066228 664374107 /nfs/dbraw/zinc/37/41/07/664374107.db2.gz RCVHBXLAWFTRJO-HNNXBMFYSA-N 1 0 398.349 2.795 20 0 GFADRO O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)NC1(c2ncc(Br)cn2)CCC1 ZINC000914149233 664379810 /nfs/dbraw/zinc/37/98/10/664379810.db2.gz FTIJINWKCMPMJC-KBPBESRZSA-N 1 0 394.317 2.544 20 0 GFADRO O=S(=O)(CC1(F)CC1)NC1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000914171179 664381516 /nfs/dbraw/zinc/38/15/16/664381516.db2.gz UZSGUFOCBNIWSF-UHFFFAOYSA-N 1 0 390.908 2.605 20 0 GFADRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)S(=O)(=O)Cc1cccc(F)c1Br ZINC000914179030 664383313 /nfs/dbraw/zinc/38/33/13/664383313.db2.gz YDJQRAKOTGTWNT-BXUZGUMPSA-N 1 0 393.322 2.690 20 0 GFADRO O=C(NCc1ccc(Br)s1)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000914183667 664383872 /nfs/dbraw/zinc/38/38/72/664383872.db2.gz CBGAPSLLFKXZMW-LBPRGKRZSA-N 1 0 388.331 2.563 20 0 GFADRO C[N@@H+]1CCC[C@H]1CNC(=O)N1CCCC[C@H]1c1ncc(Br)cn1 ZINC000914391239 664406190 /nfs/dbraw/zinc/40/61/90/664406190.db2.gz FMHIIXVOUDGVOM-KBPBESRZSA-N 1 0 382.306 2.570 20 0 GFADRO CC[NH+](CC)C[C@@H](C)NC(=O)N1CCC[C@H]1c1ncc(Br)cn1 ZINC000914411539 664407947 /nfs/dbraw/zinc/40/79/47/664407947.db2.gz JZXZGDKGLXRHOV-OCCSQVGLSA-N 1 0 384.322 2.816 20 0 GFADRO C[NH+](C)CCNC(=S)N1CCc2[nH]c3ccc(Br)cc3c2C1 ZINC000914563554 664411844 /nfs/dbraw/zinc/41/18/44/664411844.db2.gz WZPXDFFBMNVKGL-UHFFFAOYSA-N 1 0 381.343 2.725 20 0 GFADRO COc1ccc([C@H](CNC(=O)NC[C@H]2CC2(Cl)Cl)[NH+](C)C)cc1OC ZINC000915898064 664443720 /nfs/dbraw/zinc/44/37/20/664443720.db2.gz QBKBQMRQUKSDKC-OLZOCXBDSA-N 1 0 390.311 2.800 20 0 GFADRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)c2ccc(Cl)c(S(C)(=O)=O)c2)C1 ZINC000916067498 664448413 /nfs/dbraw/zinc/44/84/13/664448413.db2.gz RLHZFNAXWDRJQH-KBPBESRZSA-N 1 0 386.945 2.841 20 0 GFADRO CCC[NH+](CCC)CCCNC(=O)N(C)Cc1ncc(Br)cn1 ZINC000916554194 664464327 /nfs/dbraw/zinc/46/43/27/664464327.db2.gz FKGUWOGUIMXALQ-UHFFFAOYSA-N 1 0 386.338 2.893 20 0 GFADRO C[C@H]([NH2+]C(C)(C)CO)C(=O)Nc1ccc(Br)cc1Br ZINC000916572436 664465252 /nfs/dbraw/zinc/46/52/52/664465252.db2.gz HMTBDSLAKRRVCY-QMMMGPOBSA-N 1 0 394.107 2.899 20 0 GFADRO O[C@H](C[NH2+][C@H]1CCCN(c2ncccn2)C1)c1cccc(Br)c1 ZINC000917009669 664475171 /nfs/dbraw/zinc/47/51/71/664475171.db2.gz HXFMERUQEBVQDX-JKSUJKDBSA-N 1 0 377.286 2.531 20 0 GFADRO CSc1ccc(S(=O)(=O)N2CCC(CO)([NH2+]C(C)C)CC2)cc1Cl ZINC000917536956 664485707 /nfs/dbraw/zinc/48/57/07/664485707.db2.gz RNYKOCQWPKLHAY-UHFFFAOYSA-N 1 0 392.974 2.576 20 0 GFADRO O=C(CC[N@H+]1CCC[C@H]1Cc1ccc(Br)cc1)N1CCOCC1 ZINC000920760887 664530655 /nfs/dbraw/zinc/53/06/55/664530655.db2.gz HPDOEOPPLYNXLD-KRWDZBQOSA-N 1 0 381.314 2.705 20 0 GFADRO COc1ccc(Cl)c(S(=O)(=O)N[C@@H](CC[NH+](C)C)c2cccnc2)c1 ZINC000921481347 664550187 /nfs/dbraw/zinc/55/01/87/664550187.db2.gz HUFREQVIZPZDEX-INIZCTEOSA-N 1 0 383.901 2.715 20 0 GFADRO C[NH+](C)CC[C@H](NS(=O)(=O)c1cnc2ccsc2c1)c1cccnc1 ZINC000921481625 664550211 /nfs/dbraw/zinc/55/02/11/664550211.db2.gz PFVOKMLSUAURFW-HNNXBMFYSA-N 1 0 376.507 2.663 20 0 GFADRO O=C(NCC[NH2+][C@@H]1CC[C@H]2COCC[C@@H]2C1)c1ccc(Br)cc1 ZINC000921576924 664554942 /nfs/dbraw/zinc/55/49/42/664554942.db2.gz CQFSCSHKQAEWID-HLLBOEOZSA-N 1 0 381.314 2.974 20 0 GFADRO CCn1c(Br)c(Br)nc1CNC[C@@H]1CCC[N@@H+]1C ZINC000921593444 664556760 /nfs/dbraw/zinc/55/67/60/664556760.db2.gz RCITXCYPMVZINC-VIFPVBQESA-N 1 0 380.128 2.612 20 0 GFADRO Brc1ccc(N2CC[C@@H]([NH2+]Cc3cnc4n3CCOC4)C2)cc1 ZINC000921671861 664560086 /nfs/dbraw/zinc/56/00/86/664560086.db2.gz DSVBCPJCGFSINN-CQSZACIVSA-N 1 0 377.286 2.544 20 0 GFADRO CCn1c(C[NH2+]C[C@]2(C)CCOC2)nc(Br)c1Br ZINC000921736776 664565648 /nfs/dbraw/zinc/56/56/48/664565648.db2.gz LLOQMLPGEMCROP-LBPRGKRZSA-N 1 0 381.112 2.944 20 0 GFADRO CCn1c(C[NH2+]CC(C)(C)C(=O)OC)nc(Br)c1Br ZINC000921832608 664571255 /nfs/dbraw/zinc/57/12/55/664571255.db2.gz BHMGHDNNLBJSQS-UHFFFAOYSA-N 1 0 397.111 2.717 20 0 GFADRO C[C@H](NC(=O)NCc1cn(C)nc1Br)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000921877223 664574615 /nfs/dbraw/zinc/57/46/15/664574615.db2.gz CSSQFQOQLIAMPH-STQMWFEESA-N 1 0 398.349 2.635 20 0 GFADRO C[N@@H+]1CCCC[C@H]1CCOC(=O)CNC(=O)c1cccc(Br)c1 ZINC000921930409 664576943 /nfs/dbraw/zinc/57/69/43/664576943.db2.gz LQQSXHWGMIGSQM-HNNXBMFYSA-N 1 0 383.286 2.597 20 0 GFADRO Cc1cccc(C[NH2+][C@@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)c1Br ZINC000921969543 664579602 /nfs/dbraw/zinc/57/96/02/664579602.db2.gz MMEQDEZIACJZQN-ZBFHGGJFSA-N 1 0 388.327 2.583 20 0 GFADRO CCn1c(C[NH2+][C@H]2CCCC[C@@H]2O)nc(Br)c1Br ZINC000922019469 664581450 /nfs/dbraw/zinc/58/14/50/664581450.db2.gz ADNIBVHWDUFHHC-IUCAKERBSA-N 1 0 381.112 2.821 20 0 GFADRO Cn1nc2c(c1C[NH2+]C[C@H](CO)Cc1cccc(Br)c1)CCC2 ZINC000922057593 664583155 /nfs/dbraw/zinc/58/31/55/664583155.db2.gz DLHZYZBGXCKRGX-CQSZACIVSA-N 1 0 378.314 2.612 20 0 GFADRO CC1([NH+]2CCC2)CCN(C(=O)c2cc(Br)cc3[nH]c(=O)[nH]c32)CC1 ZINC000922171240 664588660 /nfs/dbraw/zinc/58/86/60/664588660.db2.gz KBZGNUFIMSHLDL-UHFFFAOYSA-N 1 0 393.285 2.731 20 0 GFADRO CC[N@H+](CCNC(=O)NC[C@H]1CC[C@H](C(F)(F)F)O1)CCC(F)(F)F ZINC000922188245 664589691 /nfs/dbraw/zinc/58/96/91/664589691.db2.gz TXUJZKBLOZGAAD-GHMZBOCLSA-N 1 0 379.345 2.670 20 0 GFADRO CC(C)(C)OC(=O)NC[C@@H]1CC[C@H]([NH2+]C[C@@H](O)C(F)(F)C(F)(F)F)C1 ZINC000922336648 664595255 /nfs/dbraw/zinc/59/52/55/664595255.db2.gz BBDQQYHNAHVQIK-OUAUKWLOSA-N 1 0 376.366 2.828 20 0 GFADRO O=C1Nc2ccc(Br)cc2CC[C@H]1[NH2+]Cc1cnn(CCF)c1 ZINC000922336370 664595363 /nfs/dbraw/zinc/59/53/63/664595363.db2.gz WXOARYDZBYJCPW-OAHLLOKOSA-N 1 0 381.249 2.658 20 0 GFADRO Cc1ccnc(C[NH2+]CC2CCC(S(C)(=O)=O)CC2)c1Br ZINC000922417570 664600740 /nfs/dbraw/zinc/60/07/40/664600740.db2.gz ILZJHTLOZAQRHC-UHFFFAOYSA-N 1 0 375.332 2.846 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+]CC[C@H]1CC(=O)N(C)C1 ZINC000922487687 664603512 /nfs/dbraw/zinc/60/35/12/664603512.db2.gz OWNSFGNJMAIVPR-AWEZNQCLSA-N 1 0 391.313 2.901 20 0 GFADRO CN1C[C@@H](CC[NH2+]Cc2c[nH]nc2-c2ccc(Br)s2)CC1=O ZINC000922485262 664603518 /nfs/dbraw/zinc/60/35/18/664603518.db2.gz WTTNOETWEWEPEQ-JTQLQIEISA-N 1 0 383.315 2.859 20 0 GFADRO Brc1ccc2ncc(C[NH2+][C@H]3CCCN4CCSC[C@H]34)n2c1 ZINC000922523388 664605565 /nfs/dbraw/zinc/60/55/65/664605565.db2.gz LJPBQKYWXOCERE-LSDHHAIUSA-N 1 0 381.343 2.766 20 0 GFADRO Cc1cc(Br)c(C[NH2+]CC2(O)CCC3(CC2)OCCO3)s1 ZINC000922621061 664608658 /nfs/dbraw/zinc/60/86/58/664608658.db2.gz HOHYWSBCBRMCBO-UHFFFAOYSA-N 1 0 376.316 2.957 20 0 GFADRO CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)NCC[C@]1(C)CC1(Cl)Cl)C2 ZINC000922734697 664612558 /nfs/dbraw/zinc/61/25/58/664612558.db2.gz GLUXQOMQQHGEBJ-WDTWZTHCSA-N 1 0 392.371 2.739 20 0 GFADRO CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)NCC[C@@]1(C)CC1(Cl)Cl)C2 ZINC000922734695 664612639 /nfs/dbraw/zinc/61/26/39/664612639.db2.gz GLUXQOMQQHGEBJ-BJMQQELFSA-N 1 0 392.371 2.739 20 0 GFADRO CC(C)(C[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1)CS(C)(=O)=O ZINC000922736179 664612811 /nfs/dbraw/zinc/61/28/11/664612811.db2.gz GPBKOWVPPTWNCP-UHFFFAOYSA-N 1 0 386.945 2.605 20 0 GFADRO Brc1cc(C[NH2+]C[C@@H]2CCN2C2CCOCC2)cc2c1OCO2 ZINC000922950629 664619663 /nfs/dbraw/zinc/61/96/63/664619663.db2.gz BAVPKCIDGDISFK-AWEZNQCLSA-N 1 0 383.286 2.521 20 0 GFADRO Cn1nccc1[C@@H](O)C[NH2+]Cc1cc(Br)sc1Br ZINC000922970193 664620269 /nfs/dbraw/zinc/62/02/69/664620269.db2.gz JUPUCTJHKDMCTR-VIFPVBQESA-N 1 0 395.120 2.830 20 0 GFADRO C[C@@H]1CN(C[C@H](O)COc2ccc(Cl)cc2Br)C[C@H](C)[NH2+]1 ZINC000923285050 664627385 /nfs/dbraw/zinc/62/73/85/664627385.db2.gz AARWEEUINODCMZ-LOWVWBTDSA-N 1 0 377.710 2.524 20 0 GFADRO COC(=O)c1cc(Br)c(CN[C@H]2CC[NH2+]CC2(C)C)cc1OC ZINC000923369578 664629127 /nfs/dbraw/zinc/62/91/27/664629127.db2.gz LBQQLJVDHQHGMK-HNNXBMFYSA-N 1 0 385.302 2.722 20 0 GFADRO C[NH+](C)C[C@H](NC(=O)NC1CC(CC(N)=O)C1)c1ccc(Cl)c(Cl)c1 ZINC000923450294 664630783 /nfs/dbraw/zinc/63/07/83/664630783.db2.gz UQUNJMFJUBUBGV-QHAMSDLMSA-N 1 0 387.311 2.549 20 0 GFADRO CC1CCC([NH+]2CCN(C(=O)NCc3cnc(Br)cn3)CC2)CC1 ZINC000923528947 664632643 /nfs/dbraw/zinc/63/26/43/664632643.db2.gz WJDLLDCQGFHZQW-UHFFFAOYSA-N 1 0 396.333 2.645 20 0 GFADRO CC(C)CN(CC1CC[NH+](C)CC1)C(=O)NCc1cnc(Br)cn1 ZINC000923547723 664633795 /nfs/dbraw/zinc/63/37/95/664633795.db2.gz JGMSPYLIFMRCGX-UHFFFAOYSA-N 1 0 398.349 2.749 20 0 GFADRO [NH3+]CC[C@@H]1CN(Cc2nnnn2-c2ccccc2Br)c2ccccc21 ZINC000923557424 664634110 /nfs/dbraw/zinc/63/41/10/664634110.db2.gz NRXTUXWUMRZFJI-CYBMUJFWSA-N 1 0 399.296 2.877 20 0 GFADRO CC(C)[NH+]1CCC(CCNC(=O)N(C)Cc2ncc(Br)cn2)CC1 ZINC000923630751 664634810 /nfs/dbraw/zinc/63/48/10/664634810.db2.gz MOGFQLNHBGFEFD-UHFFFAOYSA-N 1 0 398.349 2.891 20 0 GFADRO C[C@@H]1CC2(CN1S(=O)(=O)c1cnc(-c3ccccc3)s1)CC[NH2+]CC2 ZINC000923650027 664635152 /nfs/dbraw/zinc/63/51/52/664635152.db2.gz HHZLAGUJGLREJC-CQSZACIVSA-N 1 0 377.535 2.963 20 0 GFADRO C[NH+](C)CCN(Cc1cccs1)C(=O)NC[C@@H]1CC[C@@H](C(F)(F)F)O1 ZINC000924501649 664656293 /nfs/dbraw/zinc/65/62/93/664656293.db2.gz DWOFAKOOTJJDPN-JSGCOSHPSA-N 1 0 379.448 2.931 20 0 GFADRO CNC(=O)CN1CCC([NH2+][C@@H](C)c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000924649317 664659176 /nfs/dbraw/zinc/65/91/76/664659176.db2.gz ZGKVXIJFARUSKJ-JTQLQIEISA-N 1 0 378.826 2.615 20 0 GFADRO CCCS(=O)(=O)N1CCC([NH2+][C@H](C)c2cccc(Br)n2)CC1 ZINC000924660829 664659256 /nfs/dbraw/zinc/65/92/56/664659256.db2.gz QSRSIPJHHSZLMK-GFCCVEGCSA-N 1 0 390.347 2.699 20 0 GFADRO C[NH+](C)C[C@H]1NC(=O)N([C@@H](c2cc(F)cc(Br)c2)C2CC2)C1=O ZINC000924729353 664660371 /nfs/dbraw/zinc/66/03/71/664660371.db2.gz MNWRRKQASIXIMV-ZIAGYGMSSA-N 1 0 384.249 2.521 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCN(CCN2CCOCC2)C1)c1csc(C(F)(F)F)c1 ZINC000925078260 664666323 /nfs/dbraw/zinc/66/63/23/664666323.db2.gz GRPXVKLOBDBTRN-DZGCQCFKSA-N 1 0 377.476 2.824 20 0 GFADRO C[C@@H]([NH2+]CC1(O)CCS(=O)(=O)CC1)c1ccccc1SC(F)(F)F ZINC000925127945 664667085 /nfs/dbraw/zinc/66/70/85/664667085.db2.gz XGDYRLZELDNXHK-LLVKDONJSA-N 1 0 383.457 2.889 20 0 GFADRO O=C(N[C@H]1CCC[N@@H+]2CCSC[C@H]12)N1CCC(Cc2nccs2)CC1 ZINC000925172289 664667994 /nfs/dbraw/zinc/66/79/94/664667994.db2.gz SETBAPIAPKZLNO-JKSUJKDBSA-N 1 0 380.583 2.687 20 0 GFADRO CN(C[C@@H]1CC[N@H+](C)C1)C(=O)N[C@@H]1CCOc2ccc(Br)cc21 ZINC000925288928 664669866 /nfs/dbraw/zinc/66/98/66/664669866.db2.gz DLHLILHCCZBQTR-IUODEOHRSA-N 1 0 382.302 2.866 20 0 GFADRO C[C@@H]1[C@H](NC(=O)N[C@@H](CO)c2ccc(Cl)cc2C(F)(F)F)CC[N@@H+]1C ZINC000925339757 664670687 /nfs/dbraw/zinc/67/06/87/664670687.db2.gz SDNQDZUBUZAIOV-FZQKWOKYSA-N 1 0 379.810 2.784 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCC[C@@H](S(C)(=O)=O)C1)c1nc(Br)ccc1F ZINC000925456765 664672448 /nfs/dbraw/zinc/67/24/48/664672448.db2.gz NMDDRVVLTOMFSI-HBNTYKKESA-N 1 0 379.295 2.990 20 0 GFADRO COc1ccc([C@H](NCc2cn(C)nc2Br)[C@@H]2CCC[NH2+]2)cc1 ZINC000925808074 664675263 /nfs/dbraw/zinc/67/52/63/664675263.db2.gz XGPBEQOMHSWUKU-HOTGVXAUSA-N 1 0 379.302 2.774 20 0 GFADRO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(C(=O)Nc1ccc(Br)c(C)c1)C2 ZINC000925899086 664677121 /nfs/dbraw/zinc/67/71/21/664677121.db2.gz JIBCWOIACMBEEX-JKDFXYPNSA-N 1 0 396.285 2.502 20 0 GFADRO C[NH2+]CCN(C(=O)Nc1cc(OC)ccc1I)C(C)C ZINC000925990451 664678822 /nfs/dbraw/zinc/67/88/22/664678822.db2.gz CPTRFUQVCLLATM-UHFFFAOYSA-N 1 0 391.253 2.762 20 0 GFADRO COc1ccc(NC(=O)N[C@H]2C[NH2+]CC3(CCOCC3)C2)c(Br)c1 ZINC000926005309 664679062 /nfs/dbraw/zinc/67/90/62/664679062.db2.gz CPEQAEHAPXAXOX-GFCCVEGCSA-N 1 0 398.301 2.738 20 0 GFADRO CCOC(=O)c1cc(Br)ccc1NC(=O)N1CC[C@@H](CC[NH3+])C1 ZINC000926075811 664680873 /nfs/dbraw/zinc/68/08/73/664680873.db2.gz KFBSEKHUJBYHED-LLVKDONJSA-N 1 0 384.274 2.828 20 0 GFADRO CCOC(=O)c1c(C)csc1NC(=O)N1CC[C@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000926075625 664680880 /nfs/dbraw/zinc/68/08/80/664680880.db2.gz XAZORXSGXKXAGX-VHSXEESVSA-N 1 0 379.404 2.977 20 0 GFADRO CCOC(=O)c1c(NC(=O)NC[C@@H]2C[NH2+]C[C@H]2C)sc2c1CCSC2 ZINC000926078916 664681184 /nfs/dbraw/zinc/68/11/84/664681184.db2.gz FYXDTNWMURSPTG-MNOVXSKESA-N 1 0 383.539 2.691 20 0 GFADRO COc1cc(NC(=O)NCC[C@@H]2C[NH2+]C[C@H]2C)cc(OC)c1Br ZINC000926084560 664681260 /nfs/dbraw/zinc/68/12/60/664681260.db2.gz NCQXETSMRCLQSR-GHMZBOCLSA-N 1 0 386.290 2.833 20 0 GFADRO O=C(Nc1nc(CC(F)(F)F)cs1)N[C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000926129751 664682363 /nfs/dbraw/zinc/68/23/63/664682363.db2.gz GCMWSRMHPDIXPO-JTQLQIEISA-N 1 0 378.420 2.528 20 0 GFADRO Cc1ncc(Br)cc1NC(=O)N1CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000926131975 664682476 /nfs/dbraw/zinc/68/24/76/664682476.db2.gz CSCGGRXCUQAGRZ-ZJUUUORDSA-N 1 0 381.196 2.896 20 0 GFADRO CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)c1ccsc1Br)C2 ZINC000926148554 664682912 /nfs/dbraw/zinc/68/29/12/664682912.db2.gz SIGDLAVATWVSNK-FOCJUVANSA-N 1 0 387.343 2.720 20 0 GFADRO CC(C)Oc1cc(NC(=O)N2CCC[C@]([NH3+])(CO)C2)ccc1Br ZINC000926184850 664684373 /nfs/dbraw/zinc/68/43/73/664684373.db2.gz PMQJTCHUNXFSSK-MRXNPFEDSA-N 1 0 386.290 2.554 20 0 GFADRO O=S(=O)(CCO)c1ccc(C[NH2+]C2CC(Sc3ccccc3)C2)cc1 ZINC000926274136 664685964 /nfs/dbraw/zinc/68/59/64/664685964.db2.gz DONSNIWAPIBOAV-UHFFFAOYSA-N 1 0 377.531 2.866 20 0 GFADRO COc1cc(Br)cc(CNC(=O)N2CC[C@@H]([NH+]3CCCC3)C2)c1 ZINC000926281773 664686066 /nfs/dbraw/zinc/68/60/66/664686066.db2.gz RQAZKZRRSUAWOD-OAHLLOKOSA-N 1 0 382.302 2.837 20 0 GFADRO COc1cc(Br)cc(CNC(=O)N(C)C[C@H]2CCC[N@H+](C)C2)c1 ZINC000926285552 664686342 /nfs/dbraw/zinc/68/63/42/664686342.db2.gz RNYVNNKPCCDOIZ-ZDUSSCGKSA-N 1 0 384.318 2.941 20 0 GFADRO COc1cc(Br)cc(CNC(=O)N(C)[C@@H]2CC[N@H+](C)C[C@H]2C)c1 ZINC000926288128 664686618 /nfs/dbraw/zinc/68/66/18/664686618.db2.gz ZTRXRHMHCUEBCM-MLGOLLRUSA-N 1 0 384.318 2.939 20 0 GFADRO C[C@@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)C(=O)N1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000926301862 664687468 /nfs/dbraw/zinc/68/74/68/664687468.db2.gz BGFODZVOAJCFEO-MBNYWOFBSA-N 1 0 386.323 2.956 20 0 GFADRO C[C@@H]([NH2+]CCCn1cc(Br)cn1)c1cccc(-n2cnnc2)c1 ZINC000926433436 664689906 /nfs/dbraw/zinc/68/99/06/664689906.db2.gz ODIZYKFRMNSSGQ-CYBMUJFWSA-N 1 0 375.274 2.967 20 0 GFADRO O=C1NCC2(CCOCC2)[C@@H]1[NH2+]CC1(c2ccccc2Br)CCC1 ZINC000926469087 664690310 /nfs/dbraw/zinc/69/03/10/664690310.db2.gz CFWRSPWVOBMEPJ-MRXNPFEDSA-N 1 0 393.325 2.756 20 0 GFADRO COc1ccc(C[C@H](CO)C[NH2+]C2[C@@H](C)COC[C@@H]2C)cc1Br ZINC000926541759 664691863 /nfs/dbraw/zinc/69/18/63/664691863.db2.gz QAYMHHNTMKMGBN-YDHLFZDLSA-N 1 0 386.330 2.869 20 0 GFADRO C[C@@H]([NH2+]C1CCN(Cc2cccc(Br)c2)CC1)c1cnn(C)n1 ZINC000926601021 664693517 /nfs/dbraw/zinc/69/35/17/664693517.db2.gz ZHBZHKNELCCREF-CYBMUJFWSA-N 1 0 378.318 2.893 20 0 GFADRO C[C@H]([NH2+]CC(C)(C)CC(F)(F)F)c1ccc(S(=O)(=O)CC(N)=O)cc1 ZINC000926735340 664696059 /nfs/dbraw/zinc/69/60/59/664696059.db2.gz UJKDJRBZGDCJFQ-NSHDSACASA-N 1 0 380.432 2.575 20 0 GFADRO CNS(=O)(=O)c1ccc(CC[NH2+][C@@H]2COCc3cccc(Cl)c32)cc1 ZINC000926806049 664696682 /nfs/dbraw/zinc/69/66/82/664696682.db2.gz GIDPAVIUMMYSPN-QGZVFWFLSA-N 1 0 380.897 2.652 20 0 GFADRO CCO[C@@H](CNC(=O)N[C@@H](CCO)c1ccc(Cl)c(Cl)c1)C[NH+](C)C ZINC000926843740 664697556 /nfs/dbraw/zinc/69/75/56/664697556.db2.gz JFZBOFQPVHRLRX-BBRMVZONSA-N 1 0 392.327 2.683 20 0 GFADRO C[C@H]([NH2+]CC1(S(=O)(=O)NC(C)(C)C)CC1)c1cccc(Br)n1 ZINC000926851099 664697885 /nfs/dbraw/zinc/69/78/85/664697885.db2.gz QERINELILKUMLX-NSHDSACASA-N 1 0 390.347 2.745 20 0 GFADRO Cc1ccc([C@@H]([NH2+]CCN2CCNC2=O)c2cncc(Br)c2)cc1 ZINC000926873913 664698221 /nfs/dbraw/zinc/69/82/21/664698221.db2.gz ORPRDRFSUGQMLL-QGZVFWFLSA-N 1 0 389.297 2.857 20 0 GFADRO COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]CC(C)(C)CS(C)(=O)=O ZINC000926953813 664699467 /nfs/dbraw/zinc/69/94/67/664699467.db2.gz NSFXQKJWHDUFAX-LBPRGKRZSA-N 1 0 390.933 2.726 20 0 GFADRO C[C@@H]([NH2+]C[C@H](O)c1ccnn1C)c1ccc(F)c(I)c1 ZINC000927126008 664704952 /nfs/dbraw/zinc/70/49/52/664704952.db2.gz CTIYSDSRGMSRPC-OTYXRUKQSA-N 1 0 389.212 2.548 20 0 GFADRO C[C@H]([NH2+][C@H]1C[C@@H](O)C12CCOCC2)c1ccc(I)cc1 ZINC000927160409 664705363 /nfs/dbraw/zinc/70/53/63/664705363.db2.gz FZYDGLAAKQKVAG-TUKIKUTGSA-N 1 0 387.261 2.872 20 0 GFADRO Cc1c(NC(=O)C(=O)N(C)CCC[NH3+])cc(Br)cc1C(F)(F)F ZINC000927792084 664716045 /nfs/dbraw/zinc/71/60/45/664716045.db2.gz DKMJYXBWOLVDLG-UHFFFAOYSA-N 1 0 396.207 2.522 20 0 GFADRO C[C@@H]1C[NH2+]C[C@H]1CNC(=O)C(=O)Nc1ccc2cc(Br)ccc2c1 ZINC000927815009 664716329 /nfs/dbraw/zinc/71/63/29/664716329.db2.gz CXNBEAXVLVQSNK-RISCZKNCSA-N 1 0 390.281 2.513 20 0 GFADRO C[C@H]1CN(C(=O)C(=O)Nc2ccccc2SC(F)(F)F)CC[C@@H]1C[NH3+] ZINC000927893099 664717483 /nfs/dbraw/zinc/71/74/83/664717483.db2.gz NBNGVMNUUAGMEM-WDEREUQCSA-N 1 0 375.416 2.680 20 0 GFADRO Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000928081530 664722134 /nfs/dbraw/zinc/72/21/34/664722134.db2.gz OSFGVPCFTRZMMY-QWRGUYRKSA-N 1 0 396.866 2.560 20 0 GFADRO O=C(N[C@H]1CCC[N@@H+]2CCSC[C@H]12)C1(c2cncc(Br)c2)CC1 ZINC000928086611 664722251 /nfs/dbraw/zinc/72/22/51/664722251.db2.gz QAFLTIWYCKTULY-LSDHHAIUSA-N 1 0 396.354 2.572 20 0 GFADRO Cc1nc(CC(F)(F)F)sc1CC(=O)N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000928103139 664723268 /nfs/dbraw/zinc/72/32/68/664723268.db2.gz PWUSVWIHCVFTRA-NWDGAFQWSA-N 1 0 393.500 2.795 20 0 GFADRO C[C@H]1[C@H](NC(=O)c2c(F)ccc(I)c2Cl)CC[N@@H+]1C ZINC000928428714 664732347 /nfs/dbraw/zinc/73/23/47/664732347.db2.gz SPAMWCUMOQQLHU-OIBJUYFYSA-N 1 0 396.631 2.906 20 0 GFADRO C[NH+](C)CC[C@H](NC(=O)c1c(F)cncc1Br)c1cccnc1 ZINC000928827090 664740534 /nfs/dbraw/zinc/74/05/34/664740534.db2.gz DBKLVVOCDJHGEE-AWEZNQCLSA-N 1 0 381.249 2.801 20 0 GFADRO CN(CC(C)(C)C[NH+](C)C)C(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000929304849 664749875 /nfs/dbraw/zinc/74/98/75/664749875.db2.gz LBQUDWBHUXOFHH-UHFFFAOYSA-N 1 0 377.457 2.734 20 0 GFADRO O[C@H](CCC1(O)CCC1)CN1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000929343321 664750686 /nfs/dbraw/zinc/75/06/86/664750686.db2.gz ABVSFPROVZERQB-IAGOWNOFSA-N 1 0 384.314 2.879 20 0 GFADRO CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@H+](C[C@](O)(CC)C(F)(F)F)C1 ZINC000929721356 664756573 /nfs/dbraw/zinc/75/65/73/664756573.db2.gz RORNIPCJFPVJQC-WCQYABFASA-N 1 0 378.357 2.813 20 0 GFADRO C[C@](O)(C[NH+]1CCC(OC[C@H]2CCCCO2)CC1)C(F)(F)C(F)(F)F ZINC000929803589 664758059 /nfs/dbraw/zinc/75/80/59/664758059.db2.gz ZRCKWPVKQKIOSI-KGLIPLIRSA-N 1 0 375.378 2.985 20 0 GFADRO COc1ccc(Br)c(NC(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)c1 ZINC000930075169 664762154 /nfs/dbraw/zinc/76/21/54/664762154.db2.gz BRXKFOLNACWTCD-HOTGVXAUSA-N 1 0 398.301 2.521 20 0 GFADRO O[C@@H](C[NH2+][C@H](c1ccc(Br)cc1)C1CCC1)C1(O)CCOCC1 ZINC000930214486 664764699 /nfs/dbraw/zinc/76/46/99/664764699.db2.gz YCMQXGDMUNJGEM-IRXDYDNUSA-N 1 0 384.314 2.782 20 0 GFADRO C[C@H]([NH2+]CC[S@](=O)C(F)(F)F)c1cc(F)ccc1N1CCC(O)CC1 ZINC000930214453 664764730 /nfs/dbraw/zinc/76/47/30/664764730.db2.gz OFMILSNKFFOTDC-FTJNGKRUSA-N 1 0 382.423 2.706 20 0 GFADRO O=C(NC[C@H]1CC[N@@H+]1C1CCOCC1)Nc1ccc(F)c(Br)c1 ZINC000930254250 664765374 /nfs/dbraw/zinc/76/53/74/664765374.db2.gz OLPPXLCBEFFFEO-CYBMUJFWSA-N 1 0 386.265 2.963 20 0 GFADRO CN1CCN(C(=O)Nc2ccc(Br)c(Cl)c2)CC[N@H+](C)CC1 ZINC000930489336 664771658 /nfs/dbraw/zinc/77/16/58/664771658.db2.gz WKDURRCPWZWODK-UHFFFAOYSA-N 1 0 389.725 2.814 20 0 GFADRO O=S1(=O)CCC[C@H]1C[NH2+]C1(Cc2ccc(F)cc2Cl)CCOCC1 ZINC000930587799 664773757 /nfs/dbraw/zinc/77/37/57/664773757.db2.gz QFTUXRDJEWYOIB-HNNXBMFYSA-N 1 0 375.893 2.738 20 0 GFADRO CC[NH+]1CCC(CNC(=O)c2cc(Br)c3nccnc3c2)CC1 ZINC000930589370 664773762 /nfs/dbraw/zinc/77/37/62/664773762.db2.gz QQCISPIOGPULSS-UHFFFAOYSA-N 1 0 377.286 2.854 20 0 GFADRO C[N@H+](Cc1ccc(Br)nc1N)C1CCN(CC(F)(F)F)CC1 ZINC000930666949 664775564 /nfs/dbraw/zinc/77/55/64/664775564.db2.gz ZACFCRIRQHONCI-UHFFFAOYSA-N 1 0 381.240 2.885 20 0 GFADRO COc1cc(NC(=O)N2CC[C@H]3C[N@H+](C)C[C@H]32)cc(OC)c1Br ZINC000930712167 664776926 /nfs/dbraw/zinc/77/69/26/664776926.db2.gz SKXSPZGCDSLIJV-CMPLNLGQSA-N 1 0 384.274 2.634 20 0 GFADRO CN(C(=O)Nc1ccc(S(C)(=O)=O)c(C(F)F)c1)[C@H]1CCC[N@H+](C)C1 ZINC000930727095 664777270 /nfs/dbraw/zinc/77/72/70/664777270.db2.gz QXLIAXZTKZTMMX-LBPRGKRZSA-N 1 0 375.441 2.586 20 0 GFADRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)[C@@](C)(O)c2ccc(F)c(Br)c2)C1 ZINC000930945916 664781617 /nfs/dbraw/zinc/78/16/17/664781617.db2.gz ROWLHUBDUUHDPU-SJCJKPOMSA-N 1 0 387.293 2.642 20 0 GFADRO CC(C)[N@@H+]1CC[C@H](CNC(=O)[C@@](C)(O)c2ccc(F)c(Br)c2)C1 ZINC000930945915 664781661 /nfs/dbraw/zinc/78/16/61/664781661.db2.gz ROWLHUBDUUHDPU-PXAZEXFGSA-N 1 0 387.293 2.642 20 0 GFADRO Cc1csc(CC2(O)CC[NH+](C[C@@](C)(O)C(F)(F)C(F)(F)F)CC2)n1 ZINC000930986338 664782400 /nfs/dbraw/zinc/78/24/00/664782400.db2.gz KRTLFAGDAUCLMM-GFCCVEGCSA-N 1 0 388.402 2.770 20 0 GFADRO CCO[C@@H](CNC(=O)Nc1c(F)cc(F)cc1Br)C[NH+](C)C ZINC000931019164 664783213 /nfs/dbraw/zinc/78/32/13/664783213.db2.gz UVRHATXOPNWCDA-JTQLQIEISA-N 1 0 380.233 2.816 20 0 GFADRO C[C@@H]1[C@H]([NH+](C)C)CCN1CC(=O)Nc1c(F)cc(F)cc1Br ZINC000931047405 664783909 /nfs/dbraw/zinc/78/39/09/664783909.db2.gz YGFZPWWWDYSBRG-NOZJJQNGSA-N 1 0 376.245 2.690 20 0 GFADRO O=C(C/C=C/c1ccc(Br)cc1)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000931188728 664787830 /nfs/dbraw/zinc/78/78/30/664787830.db2.gz IZTBQLVSQIDCES-GPOOKRAHSA-N 1 0 379.298 2.832 20 0 GFADRO C[C@@H](NC(=O)CN1C[C@]2(C)C[N@H+](C)C[C@]2(C)C1)c1ccc(Br)cc1 ZINC000931302645 664790940 /nfs/dbraw/zinc/79/09/40/664790940.db2.gz AXZNQICBHYLPDI-ZMYBRWDISA-N 1 0 394.357 2.900 20 0 GFADRO C[NH+](C)C1(C)CCN(C[C@H](O)COc2cc(F)cc(Br)c2)CC1 ZINC000931355259 664792314 /nfs/dbraw/zinc/79/23/14/664792314.db2.gz PKODLTFIDWEVHF-HNNXBMFYSA-N 1 0 389.309 2.744 20 0 GFADRO C[N@H+]1C[C@H]2CC[C@@H](C1)N2Cc1nc(Cc2cccc(Br)c2)no1 ZINC000931394908 664793784 /nfs/dbraw/zinc/79/37/84/664793784.db2.gz GTMACHCKZODFDX-GASCZTMLSA-N 1 0 377.286 2.701 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(Cc3nc(-c4ccc(Br)s4)no3)C[C@@H]2C1 ZINC000931439668 664794927 /nfs/dbraw/zinc/79/49/27/664794927.db2.gz PWKQNAANGZOFRD-MNOVXSKESA-N 1 0 383.315 2.944 20 0 GFADRO OCCCCC[NH+]1CCN(CCOc2cc(F)cc(Br)c2)CC1 ZINC000931496087 664796521 /nfs/dbraw/zinc/79/65/21/664796521.db2.gz JLQIEFPVFFLOSU-UHFFFAOYSA-N 1 0 389.309 2.747 20 0 GFADRO C[C@@H](NC(=O)CN1CCc2[nH+]ccc(N)c2C1)c1ccc(Br)cc1 ZINC000931510503 664796934 /nfs/dbraw/zinc/79/69/34/664796934.db2.gz VUHMKEFNCJOMRG-GFCCVEGCSA-N 1 0 389.297 2.662 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CN1CCc2[nH+]ccc(N)c2C1 ZINC000931513617 664797111 /nfs/dbraw/zinc/79/71/11/664797111.db2.gz FXWBSGUNTCQVSV-UHFFFAOYSA-N 1 0 375.270 2.732 20 0 GFADRO CCOC(=O)c1nc(NC(=O)N(C)CCC[NH+](C)C)sc1C(F)(F)F ZINC000931591867 664800107 /nfs/dbraw/zinc/80/01/07/664800107.db2.gz GSXHTOJSBHAOEO-UHFFFAOYSA-N 1 0 382.408 2.754 20 0 GFADRO CCOC(=O)c1nc(NC(=O)N[C@@H]2CCC[N@H+](C)C2)sc1C(F)(F)F ZINC000931591499 664800116 /nfs/dbraw/zinc/80/01/16/664800116.db2.gz ZVKPAGPABHRYPM-MRVPVSSYSA-N 1 0 380.392 2.554 20 0 GFADRO CC(C)(C)[NH2+]CCC(=O)NCc1nnc(-c2ccc(Br)cc2)[nH]1 ZINC000931593546 664800195 /nfs/dbraw/zinc/80/01/95/664800195.db2.gz SRRPPYMOBRPEJV-UHFFFAOYSA-N 1 0 380.290 2.629 20 0 GFADRO COC1(OC)CC[N@H+](CCCCOc2ccc(Br)cc2)C[C@@H]1O ZINC000931632193 664801020 /nfs/dbraw/zinc/80/10/20/664801020.db2.gz UZJYMXFJGVECCC-INIZCTEOSA-N 1 0 388.302 2.664 20 0 GFADRO CC[NH+]1CCC(N(C)C(=O)C[C@@H]2C(=O)Nc3c2cccc3Br)CC1 ZINC000931639199 664801185 /nfs/dbraw/zinc/80/11/85/664801185.db2.gz LUOQKNZMRAMUSI-AWEZNQCLSA-N 1 0 394.313 2.818 20 0 GFADRO O=C(NC[C@H]1CC[N@@H+]1C1CCOCC1)Nc1nc2ccc(Cl)nc2s1 ZINC000931850573 664805941 /nfs/dbraw/zinc/80/59/41/664805941.db2.gz YSAFBXFSYARJHW-LLVKDONJSA-N 1 0 381.889 2.720 20 0 GFADRO CCS(=O)(=O)CCCCCN1C[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C1 ZINC000931991854 664808466 /nfs/dbraw/zinc/80/84/66/664808466.db2.gz KKZLUEDIEGPUQE-OAHLLOKOSA-N 1 0 376.563 2.827 20 0 GFADRO COc1cc[nH+]c(N2CCN(C(=O)c3nc(C)ccc3Br)CC2)c1 ZINC000932013112 664808819 /nfs/dbraw/zinc/80/88/19/664808819.db2.gz CXSCCPUTXHNXIE-UHFFFAOYSA-N 1 0 391.269 2.519 20 0 GFADRO Cc1cc(C(=O)NCC2([NH+]3CCCC3)CCOCC2)cnc1Br ZINC000932050223 664809477 /nfs/dbraw/zinc/80/94/77/664809477.db2.gz SPQCOBKJSPFGQE-UHFFFAOYSA-N 1 0 382.302 2.527 20 0 GFADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)Nc3cccc(F)c3Br)CC2)C1 ZINC000932421896 664822011 /nfs/dbraw/zinc/82/20/11/664822011.db2.gz SOILBRKJNMKJDV-ZDUSSCGKSA-N 1 0 399.308 2.832 20 0 GFADRO Cc1cc(C(=O)N2CC[C@H](C[NH+](C)C)C2)nn1-c1ccccc1Br ZINC000932795073 664839171 /nfs/dbraw/zinc/83/91/71/664839171.db2.gz HIMXMMYUTGNWHN-CQSZACIVSA-N 1 0 391.313 2.967 20 0 GFADRO C[NH+](C)C1(CNC(=O)c2nccc3c(Br)cccc32)CCOCC1 ZINC000932824054 664840778 /nfs/dbraw/zinc/84/07/78/664840778.db2.gz FKIZVFHUNOQTOU-UHFFFAOYSA-N 1 0 392.297 2.838 20 0 GFADRO O=C1NC[C@@H](O)CC12CC[NH+](Cc1ccc(Br)cc1Cl)CC2 ZINC000932831237 664841269 /nfs/dbraw/zinc/84/12/69/664841269.db2.gz JDXHOSZMYNPWPQ-ZDUSSCGKSA-N 1 0 387.705 2.566 20 0 GFADRO O=C1NC[C@H](O)CC12CC[NH+](Cc1ccc(Cl)c(C(F)(F)F)c1)CC2 ZINC000932830275 664841277 /nfs/dbraw/zinc/84/12/77/664841277.db2.gz APJZILZTNOKLJS-GFCCVEGCSA-N 1 0 376.806 2.822 20 0 GFADRO Cc1csc(C[C@@H]2CC[N@@H+](Cc3ccc(S(=O)(=O)N(C)C)cc3)C2)n1 ZINC000933130846 664850622 /nfs/dbraw/zinc/85/06/22/664850622.db2.gz UNXWDZXGEXKDCH-INIZCTEOSA-N 1 0 379.551 2.766 20 0 GFADRO CN(CCCC[NH+](C)C)C(=O)C[C@H]1C(=O)Nc2ccc(Br)cc21 ZINC000933215161 664852915 /nfs/dbraw/zinc/85/29/15/664852915.db2.gz ZMPJDQRULOTKEG-CQSZACIVSA-N 1 0 382.302 2.675 20 0 GFADRO OC[C@H]([NH2+]C[C@H](O)COCc1cccs1)c1ccccc1C(F)(F)F ZINC000933245855 664853477 /nfs/dbraw/zinc/85/34/77/664853477.db2.gz FMEHDZMAAMSBGN-LRDDRELGSA-N 1 0 375.412 2.968 20 0 GFADRO O=C(Nc1c(F)ccc(Br)c1F)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000933300662 664856912 /nfs/dbraw/zinc/85/69/12/664856912.db2.gz JJBKMQWELNETBD-JTQLQIEISA-N 1 0 392.244 2.696 20 0 GFADRO O=c1cc(C[NH2+]C2([C@@H]3CCCCO3)CC2)nc2ccc(Br)cn12 ZINC000933378527 664860967 /nfs/dbraw/zinc/86/09/67/664860967.db2.gz OXZAGPBSIHSTGZ-AWEZNQCLSA-N 1 0 378.270 2.648 20 0 GFADRO Cc1csc2nc(C[NH2+][C@@](C)(CO)Cc3ccc(Cl)cc3)cc(=O)n12 ZINC000933447856 664865022 /nfs/dbraw/zinc/86/50/22/664865022.db2.gz GYHWHPGNGYHOGZ-GOSISDBHSA-N 1 0 377.897 2.801 20 0 GFADRO C[C@H](C(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(I)cc1 ZINC000933490671 664866909 /nfs/dbraw/zinc/86/69/09/664866909.db2.gz CQHPMGCFLXTUAM-XUJVJEKNSA-N 1 0 386.277 2.994 20 0 GFADRO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2ccc3c(Br)cnn3c2)C1 ZINC000933777977 664877817 /nfs/dbraw/zinc/87/78/17/664877817.db2.gz DQHYMBZNBVWUBM-CYBMUJFWSA-N 1 0 379.302 2.901 20 0 GFADRO CC[N@H+](C)C[C@H]1CCN(C(=O)[C@](C)(O)c2ccc(F)c(Br)c2)C1 ZINC000933799150 664878299 /nfs/dbraw/zinc/87/82/99/664878299.db2.gz WIDQPABZAPYDEV-SJKOYZFVSA-N 1 0 387.293 2.596 20 0 GFADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)C[C@H]2C(=O)Nc3c2cccc3Br)C1 ZINC000933797413 664878425 /nfs/dbraw/zinc/87/84/25/664878425.db2.gz FYAWNRBDPZHUOJ-GXTWGEPZSA-N 1 0 394.313 2.675 20 0 GFADRO C[NH+](C)Cc1ccc(NC(=O)C2(n3cc(Br)cn3)CC2)cc1F ZINC000934134110 664890401 /nfs/dbraw/zinc/89/04/01/664890401.db2.gz SLCPESONIYQQSF-UHFFFAOYSA-N 1 0 381.249 2.974 20 0 GFADRO C[C@@](Cn1cccn1)([NH2+]CC/C=C\c1ccc(Br)cc1)C(N)=O ZINC000934228260 664892987 /nfs/dbraw/zinc/89/29/87/664892987.db2.gz ZEBLIDPKEKDYLQ-NCSHICFUSA-N 1 0 377.286 2.583 20 0 GFADRO Cc1cc(C(=O)NCCCC[NH+]2C[C@@H](C)O[C@H](C)C2)cnc1Br ZINC000934307792 664898102 /nfs/dbraw/zinc/89/81/02/664898102.db2.gz DLVFAJMUNDHTDC-ZIAGYGMSSA-N 1 0 384.318 2.772 20 0 GFADRO O[C@H](C[NH2+][C@@H]1CCOC12CCOCC2)COc1cc(Cl)cc(Cl)c1 ZINC000934403109 664905505 /nfs/dbraw/zinc/90/55/05/664905505.db2.gz ULJVZBZRMDBPCE-GDBMZVCRSA-N 1 0 376.280 2.661 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)C[C@@H]2C(=O)Nc3c2cccc3Br)C[N@@H+]1C1CC1 ZINC000934399129 664905620 /nfs/dbraw/zinc/90/56/20/664905620.db2.gz ZXBVQCIKEPGZES-SUNKGSAMSA-N 1 0 392.297 2.616 20 0 GFADRO O[C@H](C[NH2+][C@H]1CCOC12CCOCC2)COc1c(Cl)cccc1Cl ZINC000934409629 664906131 /nfs/dbraw/zinc/90/61/31/664906131.db2.gz JZYWCKMUDJLKTJ-DOMZBBRYSA-N 1 0 376.280 2.661 20 0 GFADRO O=S(=O)(CC[NH2+][C@H]1CCOC12CCOCC2)c1cc(Cl)ccc1Cl ZINC000934410131 664906197 /nfs/dbraw/zinc/90/61/97/664906197.db2.gz UOHQXJKJFUODHD-HNNXBMFYSA-N 1 0 394.320 2.695 20 0 GFADRO CCc1ccc(Br)cc1C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000934723310 664915823 /nfs/dbraw/zinc/91/58/23/664915823.db2.gz BMBAIRJINYGISX-MRXNPFEDSA-N 1 0 381.314 2.995 20 0 GFADRO OC[C@H]([NH2+]CC[C@H]1CCCCO1)c1ccccc1I ZINC000934825751 664924233 /nfs/dbraw/zinc/92/42/33/664924233.db2.gz GDLLCQKHVBDGOP-DOMZBBRYSA-N 1 0 375.250 2.873 20 0 GFADRO C[C@@H](Cc1ccc(F)c(Br)c1)NC(=O)COC1CC[NH+](C)CC1 ZINC000934884110 664928167 /nfs/dbraw/zinc/92/81/67/664928167.db2.gz KBJZSNCMWIIYLH-LBPRGKRZSA-N 1 0 387.293 2.746 20 0 GFADRO CC(C)(C)[NH2+]CCC(=O)NCc1ccc(Br)cc1N1CCOCC1 ZINC000934960980 664932125 /nfs/dbraw/zinc/93/21/25/664932125.db2.gz VFCITUZQGRIDHF-UHFFFAOYSA-N 1 0 398.345 2.680 20 0 GFADRO C[NH+](C)C[C@](C)(O)CNC(=O)c1cc(-c2ccc(Br)cc2)ns1 ZINC000935052082 664936595 /nfs/dbraw/zinc/93/65/95/664936595.db2.gz NYUOLGTUBMZDMH-MRXNPFEDSA-N 1 0 398.326 2.615 20 0 GFADRO C[NH+](C)CCOc1ccc(CCC(=O)Nc2ccncc2Br)cc1 ZINC000935080693 664938646 /nfs/dbraw/zinc/93/86/46/664938646.db2.gz VWBHGIRNLWTYIT-UHFFFAOYSA-N 1 0 392.297 2.778 20 0 GFADRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)c1cc2ccc(Br)cc2c(=O)o1 ZINC000935188519 664945371 /nfs/dbraw/zinc/94/53/71/664945371.db2.gz AYBNWWXICAOZTG-WDEREUQCSA-N 1 0 379.254 2.720 20 0 GFADRO CO[C@@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)COC1CC[NH+](C)CC1 ZINC000935233143 664947536 /nfs/dbraw/zinc/94/75/36/664947536.db2.gz MSBQLDPQSUEKAT-FZKQIMNGSA-N 1 0 399.329 2.752 20 0 GFADRO C[NH+]1CCC(C)(CNC(=O)C[C@H]2C(=O)Nc3c2cccc3Br)CC1 ZINC000935296414 664951549 /nfs/dbraw/zinc/95/15/49/664951549.db2.gz YZWZYSOIDOGWPJ-CYBMUJFWSA-N 1 0 394.313 2.723 20 0 GFADRO C[NH+](C)C[C@@]1(O)CCCN(C(=O)C/C=C/c2ccc(Br)cc2)C1 ZINC000935679982 664980844 /nfs/dbraw/zinc/98/08/44/664980844.db2.gz NUEITWCNGWCRCJ-YZTRRJNXSA-N 1 0 381.314 2.768 20 0 GFADRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1nc(Br)c2ccccn21 ZINC000935978292 665002180 /nfs/dbraw/zinc/00/21/80/665002180.db2.gz WGKMQDFHHZUYER-CHWSQXEVSA-N 1 0 377.286 2.796 20 0 GFADRO COCCCN(C(=O)c1nc(C)ccc1Br)C1CC[NH+](C)CC1 ZINC000936048783 665005747 /nfs/dbraw/zinc/00/57/47/665005747.db2.gz JOPASXVEJHTHFH-UHFFFAOYSA-N 1 0 384.318 2.725 20 0 GFADRO Cc1csc(Cl)c1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C)C2 ZINC000995912762 665026815 /nfs/dbraw/zinc/02/68/15/665026815.db2.gz HVZVZMJKYVRDLT-RFGFWPKPSA-N 1 0 381.929 2.666 20 0 GFADRO C[NH+](C)C1(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2sccc2Cl)C3)CCC1 ZINC000997301324 665035261 /nfs/dbraw/zinc/03/52/61/665035261.db2.gz NQNAWHBYJCHGGM-XBFCOCLRSA-N 1 0 381.929 2.748 20 0 GFADRO O=C(NCC1=CC[N@H+](CC[C@@H]2CC2(Cl)Cl)CC1)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001000980578 665048461 /nfs/dbraw/zinc/04/84/61/665048461.db2.gz NNKRULULXYYADQ-JHMPBIJASA-N 1 0 385.335 2.742 20 0 GFADRO Cc1csc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H]2CC[N@@H+](C)C2)c1Cl ZINC001002964935 665058247 /nfs/dbraw/zinc/05/82/47/665058247.db2.gz QVWUVAFMZGZWAW-DGAVXFQQSA-N 1 0 381.929 2.523 20 0 GFADRO C[C@@H]1[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2sccc2Cl)CC[N@@H+]1C ZINC001003154930 665058873 /nfs/dbraw/zinc/05/88/73/665058873.db2.gz JAHOKEFOECBMQX-FWZIUSJTSA-N 1 0 381.929 2.603 20 0 GFADRO C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2cc(Cl)cs2)C1 ZINC001004360357 665064130 /nfs/dbraw/zinc/06/41/30/665064130.db2.gz LMOWUFGUVPBTND-NGFQHRJXSA-N 1 0 381.929 2.605 20 0 GFADRO COCC[N@H+]1[C@H](C)CN(C(=O)CCc2cccc(Br)c2)C[C@@H]1C ZINC000121333038 677398869 /nfs/dbraw/zinc/39/88/69/677398869.db2.gz DKCOWIHRRXCALB-GASCZTMLSA-N 1 0 383.330 2.949 20 0 GFADRO CCCS(=O)(=O)N1CCC([NH2+]Cc2ccccc2OC(F)(F)F)CC1 ZINC000378902487 677405364 /nfs/dbraw/zinc/40/53/64/677405364.db2.gz XNIAVMZPQJEETB-UHFFFAOYSA-N 1 0 380.432 2.879 20 0 GFADRO CCCC[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])ncc2Br)CC1 ZINC000391506853 677409330 /nfs/dbraw/zinc/40/93/30/677409330.db2.gz KQPYKBQRQYCIPF-UHFFFAOYSA-N 1 0 385.262 2.747 20 0 GFADRO COc1cccc([C@@H](CNC(=O)c2ccnc(Br)c2)[NH+](C)C)c1 ZINC000391493834 677409378 /nfs/dbraw/zinc/40/93/78/677409378.db2.gz FWEMGEWQXFMGBU-OAHLLOKOSA-N 1 0 378.270 2.885 20 0 GFADRO COc1cc(Br)ccc1[C@H](C)[NH2+][C@@H]1CCN(C2CCOCC2)C1=O ZINC000469331990 677413207 /nfs/dbraw/zinc/41/32/07/677413207.db2.gz KNHNWUIPHAXNHQ-BLLLJJGKSA-N 1 0 397.313 2.888 20 0 GFADRO COC(=O)[C@]12C[N@H+](Cc3ccc(OC(F)F)c(Cl)c3)C[C@H]1COCC2 ZINC000475571282 677673104 /nfs/dbraw/zinc/67/31/04/677673104.db2.gz LEJABMNSDRZTRT-YVEFUNNKSA-N 1 0 375.799 2.953 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C3=Cc4cc(Br)ccc4OC3)C[C@H]21 ZINC000579581631 677673458 /nfs/dbraw/zinc/67/34/58/677673458.db2.gz OUSSQIIFKVHVLY-HFBAOOFYSA-N 1 0 377.282 2.811 20 0 GFADRO FC(F)(c1cccc(-c2ccc(Cl)nn2)c1)N1CC[C@H]2[NH2+]CCO[C@@H]2C1 ZINC001164390319 718825438 /nfs/dbraw/zinc/82/54/38/718825438.db2.gz NVYNMNZTZWQOBK-HZPDHXFCSA-N 1 0 380.826 2.909 20 0 GFADRO FC(F)(c1ccc(Cl)c(Cl)n1)N1CCCO[C@]2(C[NH2+]CCOC2)C1 ZINC001164424052 718914479 /nfs/dbraw/zinc/91/44/79/718914479.db2.gz KDVIWQCANCHNIA-CQSZACIVSA-N 1 0 382.238 2.519 20 0 GFADRO O=c1ccccn1-c1nccc(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC001164628610 719101285 /nfs/dbraw/zinc/10/12/85/719101285.db2.gz NUCXIJRCLRRRAT-UXHICEINSA-N 1 0 387.487 2.728 20 0 GFADRO CCS(=O)(=O)c1ccnc(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC001164628819 719114638 /nfs/dbraw/zinc/11/46/38/719114638.db2.gz OSBROQFTYSUURF-QUCCMNQESA-N 1 0 385.533 2.976 20 0 GFADRO [NH3+]C1([C@@H]2CN(C(F)(F)COC(=O)Nc3cccnc3Cl)C[C@H]2CF)CC1 ZINC001164619117 719124594 /nfs/dbraw/zinc/12/45/94/719124594.db2.gz CEAAYMGIYAUCDE-GHMZBOCLSA-N 1 0 392.809 2.885 20 0 GFADRO COC(=O)[C@H]1C[NH2+]CCN1C(F)(F)c1cc(-c2ccc(C)cc2)nnc1Cl ZINC001164636589 719137875 /nfs/dbraw/zinc/13/78/75/719137875.db2.gz ZBCNMJNSWSAJSP-OAHLLOKOSA-N 1 0 396.825 2.602 20 0 GFADRO Cc1ccc(S(=O)(=O)n2ccc3c2ncnc3N2C[C@H](C)[N@@H+](C)C[C@H]2C)cc1 ZINC001164634966 719161013 /nfs/dbraw/zinc/16/10/13/719161013.db2.gz KNKZHYQILDFHFM-JKSUJKDBSA-N 1 0 399.520 2.506 20 0 GFADRO CC(C)N(C)Cc1nn(C(F)(F)c2cc(N)cc(Cl)n2)c2c1CC[NH2+]C2 ZINC001164681626 719626721 /nfs/dbraw/zinc/62/67/21/719626721.db2.gz JRMASXRFLLNJCF-UHFFFAOYSA-N 1 0 384.862 2.597 20 0 GFADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3ncccn3)CC2)c2ccccc21 ZINC001164681413 719653289 /nfs/dbraw/zinc/65/32/89/719653289.db2.gz OCHKQVONCCAMQN-SFHVURJKSA-N 1 0 393.535 2.570 20 0 GFADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1cncc(Oc3cccc(F)c3)n1)CC2 ZINC001164684388 719731064 /nfs/dbraw/zinc/73/10/64/719731064.db2.gz GWFSBEQOSYAOMP-UHFFFAOYSA-N 1 0 399.470 2.589 20 0 GFADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1ncc(C)c(-c3ccccc3F)n1)CC2 ZINC001164689394 719753908 /nfs/dbraw/zinc/75/39/08/719753908.db2.gz FAUUKZBQMRPTNJ-UHFFFAOYSA-N 1 0 397.498 2.772 20 0 GFADRO COc1cc(OC)nc(N2CCC3(CCC[N@@H+]3Cc3csc(C)n3)CC2)n1 ZINC001164691472 719806070 /nfs/dbraw/zinc/80/60/70/719806070.db2.gz HWXJBHQCEDZNJQ-UHFFFAOYSA-N 1 0 389.525 2.894 20 0 GFADRO c1csc(C[N@@H+]2CCOC3(CCN(c4ncnc5cccnc54)CC3)C2)c1 ZINC001164694595 719888192 /nfs/dbraw/zinc/88/81/92/719888192.db2.gz ANGONIPZAYVUST-UHFFFAOYSA-N 1 0 381.505 2.958 20 0 GFADRO Cc1nc2nc(N3CCC4(CC3)C[N@H+](Cc3cccs3)CCO4)ncc2[nH]1 ZINC001164699074 719896154 /nfs/dbraw/zinc/89/61/54/719896154.db2.gz WTHODGZBRFGCBQ-UHFFFAOYSA-N 1 0 384.509 2.546 20 0 GFADRO CCOCc1cnc(Cl)nc1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COC ZINC001164817741 720153334 /nfs/dbraw/zinc/15/33/34/720153334.db2.gz QDMRBFKJNVZLQF-XLIONFOSSA-N 1 0 394.947 2.851 20 0 GFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cc(-c3ccncc3)ncn1)C2 ZINC001164817506 720173640 /nfs/dbraw/zinc/17/36/40/720173640.db2.gz PQFZSEQCDGTULY-SIKLNZKXSA-N 1 0 379.508 2.723 20 0 GFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ccc(-c3ccncc3)nn1)C2 ZINC001164815042 720181171 /nfs/dbraw/zinc/18/11/71/720181171.db2.gz HEVCPMPWWHUPCK-KNQAVFIVSA-N 1 0 379.508 2.723 20 0 GFADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2ncc(Cl)cc2F)CC1 ZINC001164820140 720295181 /nfs/dbraw/zinc/29/51/81/720295181.db2.gz GUXYYAPPBVDQOS-DLBZAZTESA-N 1 0 380.895 2.786 20 0 GFADRO Cc1cccc2c1ncnc2N1CC[C@@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164823869 720305502 /nfs/dbraw/zinc/30/55/02/720305502.db2.gz QKPIATSLFKQGSJ-WOJBJXKFSA-N 1 0 393.535 2.850 20 0 GFADRO CC(=O)NC[C@H]1c2ncn(C(C)C)c2CCN1c1ccc(C[N@H+](C)C2CC2)cn1 ZINC001164725420 720316760 /nfs/dbraw/zinc/31/67/60/720316760.db2.gz VJOQARNSVRGJES-FQEVSTJZSA-N 1 0 396.539 2.693 20 0 GFADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2nccc3cnccc32)CC1 ZINC001164832900 720327120 /nfs/dbraw/zinc/32/71/20/720327120.db2.gz URSIMPPPIWPSQA-VQTJNVASSA-N 1 0 379.508 2.541 20 0 GFADRO Cc1cc(N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc2[nH]ccc21 ZINC001164825442 720327995 /nfs/dbraw/zinc/32/79/95/720327995.db2.gz FDEUKGQLISVOJV-OALUTQOASA-N 1 0 381.524 2.783 20 0 GFADRO Cc1cc(N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc(C(C)C)n1 ZINC001164823592 720337713 /nfs/dbraw/zinc/33/77/13/720337713.db2.gz HEHLLGXOBJEJEZ-RTBURBONSA-N 1 0 385.556 2.820 20 0 GFADRO c1cncc(C[N@@H+]2CC[C@H]3[C@@H]2CCN3c2ncnc3cc4c(cc32)OCCO4)c1 ZINC001164725624 720349242 /nfs/dbraw/zinc/34/92/42/720349242.db2.gz OMPTZJZAOJLGRJ-OALUTQOASA-N 1 0 389.459 2.649 20 0 GFADRO Cc1nc(CO[C@@H]2CN(c3cc(C[NH+](C)C)ccn3)[C@H]3CCCO[C@H]23)cs1 ZINC001164821854 720391761 /nfs/dbraw/zinc/39/17/61/720391761.db2.gz JQJBDFHKFKRUDN-NSHGMRRFSA-N 1 0 388.537 2.861 20 0 GFADRO CCOC(=O)c1c(Cl)cc(C)nc1N1Cc2nccn2C[C@H](C[NH+](C)C)C1 ZINC001164732290 720506613 /nfs/dbraw/zinc/50/66/13/720506613.db2.gz UNXNEQGTHCUEQB-AWEZNQCLSA-N 1 0 391.903 2.615 20 0 GFADRO COc1ccc2nc(N3Cc4nccn4C[C@@H](C[NH+](C)C)C3)c(Cl)nc2c1 ZINC001164726171 720512474 /nfs/dbraw/zinc/51/24/74/720512474.db2.gz BFBVPZJGCGIDNV-CYBMUJFWSA-N 1 0 386.887 2.686 20 0 GFADRO COc1cc2nc(N3Cc4nccn4C[C@H](C[NH+](C)C)C3)ccc2c(OC)c1 ZINC001164734447 720532243 /nfs/dbraw/zinc/53/22/43/720532243.db2.gz IOYZEMKSNZSHNO-HNNXBMFYSA-N 1 0 381.480 2.647 20 0 GFADRO COc1cc(OC)nc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c1 ZINC001164843031 720543200 /nfs/dbraw/zinc/54/32/00/720543200.db2.gz ZOHFEENLPSFCIO-YQVWRLOYSA-N 1 0 385.512 2.673 20 0 GFADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3c(F)nc(F)nc3Cl)CC[C@@H]21 ZINC001164841495 720592484 /nfs/dbraw/zinc/59/24/84/720592484.db2.gz SIQLQIHZMLGTIW-IHRRRGAJSA-N 1 0 396.873 2.983 20 0 GFADRO COc1nc(C)nc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c1C ZINC001164843518 720636276 /nfs/dbraw/zinc/63/62/76/720636276.db2.gz XOYKPKYOTGHNLS-GUDVDZBRSA-N 1 0 384.528 2.676 20 0 GFADRO COC(=O)c1ccc(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)nn1 ZINC001164842567 720668689 /nfs/dbraw/zinc/66/86/89/720668689.db2.gz RZIARVQRUTZXHT-GOSISDBHSA-N 1 0 396.491 2.523 20 0 GFADRO Cc1cc(C(N)=O)cc(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC001164839330 720726583 /nfs/dbraw/zinc/72/65/83/720726583.db2.gz KZZPEOWBKFCMTE-FQEVSTJZSA-N 1 0 394.519 2.749 20 0 GFADRO Cc1cccc(-c2ccc(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)nn2)c1 ZINC001164737818 720765366 /nfs/dbraw/zinc/76/53/66/720765366.db2.gz CYGJNUVQHFPYDU-RTBURBONSA-N 1 0 388.475 2.584 20 0 GFADRO C[NH+](C)Cc1ccnc(N2CC[C@@H]3O[C@H](COCc4ccccn4)CC[C@H]32)c1 ZINC001164843817 720778254 /nfs/dbraw/zinc/77/82/54/720778254.db2.gz AUZJPNJNOWMTQC-HBMCJLEFSA-N 1 0 382.508 2.881 20 0 GFADRO c1ncn(C[C@@H]2C[C@@H]3CN(c4nccc5scnc54)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164741239 720832292 /nfs/dbraw/zinc/83/22/92/720832292.db2.gz MQOVIHPSWPGLOO-IXDOHACOSA-N 1 0 395.536 2.662 20 0 GFADRO COCC[N@@H+]1CCO[C@H]2CN(c3nc4ccc(OC)cc4cc3C)CC[C@H]2C1 ZINC001164848373 720832646 /nfs/dbraw/zinc/83/26/46/720832646.db2.gz MVAKZKAEPQMGIV-UWJYYQICSA-N 1 0 385.508 2.725 20 0 GFADRO CSc1cccnc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164743607 720833448 /nfs/dbraw/zinc/83/34/48/720833448.db2.gz JPRSXNFSJYZZLW-OKZBNKHCSA-N 1 0 384.553 2.774 20 0 GFADRO COCC[N@@H+]1CCO[C@H]2CN(C(F)(F)c3ccc(F)c(Cl)n3)CC[C@@H]2C1 ZINC001164850276 720838648 /nfs/dbraw/zinc/83/86/48/720838648.db2.gz FCICQKYEODCKMT-OCCSQVGLSA-N 1 0 393.837 2.593 20 0 GFADRO Cc1cc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc(C(C)C)n1 ZINC001164743137 720846500 /nfs/dbraw/zinc/84/65/00/720846500.db2.gz IWYMRSPUATWULY-XUVXKRRUSA-N 1 0 395.555 2.879 20 0 GFADRO CSc1ccnc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c1 ZINC001164741320 720847911 /nfs/dbraw/zinc/84/79/11/720847911.db2.gz DZWOERCMTOKVSR-ZHALLVOQSA-N 1 0 384.553 2.774 20 0 GFADRO COCC[N@@H+]1CCO[C@@H]2CN(C(F)(F)c3nc(Cl)ccc3F)CC[C@@H]2C1 ZINC001164854338 720853375 /nfs/dbraw/zinc/85/33/75/720853375.db2.gz JJBMYSLPATXENL-TZMCWYRMSA-N 1 0 393.837 2.593 20 0 GFADRO CCc1cc(CC)nc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164748671 720859040 /nfs/dbraw/zinc/85/90/40/720859040.db2.gz LNUMQKZLWJFGPW-DUXKGJEZSA-N 1 0 395.555 2.572 20 0 GFADRO Cc1ccnnc1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164755737 720879853 /nfs/dbraw/zinc/87/98/53/720879853.db2.gz YMIYOEJVDSDLPD-GGAORHGYSA-N 1 0 393.535 2.935 20 0 GFADRO CC[C@H](C)c1nc2[nH]ccc2c(N2CC[C@H]3C[N@H+](CCOC)CCO[C@H]3C2)n1 ZINC001164855844 720893400 /nfs/dbraw/zinc/89/34/00/720893400.db2.gz CTCKKWKZYKNSHN-BQFCYCMXSA-N 1 0 387.528 2.645 20 0 GFADRO Clc1cc(Cl)c(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)nn1 ZINC001164869161 721051709 /nfs/dbraw/zinc/05/17/09/721051709.db2.gz SBNCWZIAEFWHDO-KBPBESRZSA-N 1 0 380.279 2.658 20 0 GFADRO FC(F)(c1nccc(Cl)n1)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164867365 721056132 /nfs/dbraw/zinc/05/61/32/721056132.db2.gz IPMQQWUYCBJADQ-CABCVRRESA-N 1 0 395.841 2.550 20 0 GFADRO Clc1nc2ccoc2c(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164868416 721057428 /nfs/dbraw/zinc/05/74/28/721057428.db2.gz OJOZESPMWFXKRA-CABCVRRESA-N 1 0 385.855 2.751 20 0 GFADRO Clc1nnc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)c2c1CCCC2 ZINC001164867405 721080617 /nfs/dbraw/zinc/08/06/17/721080617.db2.gz YIXAWNSDKLBOKR-SJORKVTESA-N 1 0 399.926 2.884 20 0 GFADRO COc1ccc2c(c1)ncnc2N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164866658 721089424 /nfs/dbraw/zinc/08/94/24/721089424.db2.gz UPOSBOBHCWNXQC-HKUYNNGSSA-N 1 0 391.475 2.513 20 0 GFADRO Clc1cnc2c(c1)ncnc2N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164866207 721102392 /nfs/dbraw/zinc/10/23/92/721102392.db2.gz SBPFLUOIGJRKLX-IAGOWNOFSA-N 1 0 396.882 2.553 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4cnc5ccc(Cl)cc5n4)C[C@@H]3C2)cn1 ZINC001164768147 721118757 /nfs/dbraw/zinc/11/87/57/721118757.db2.gz NLPLNOUFPJPKAW-CVEARBPZSA-N 1 0 382.899 2.975 20 0 GFADRO CCc1cc2c(ncnc2N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@H]3C2)s1 ZINC001164763376 721125769 /nfs/dbraw/zinc/12/57/69/721125769.db2.gz FIMHJDSKPGOHGK-HOTGVXAUSA-N 1 0 382.537 2.946 20 0 GFADRO FC(F)(c1nccnc1Cl)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164873626 721131226 /nfs/dbraw/zinc/13/12/26/721131226.db2.gz JITUMOWQKPZCBV-LSDHHAIUSA-N 1 0 395.841 2.550 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN([C@H](F)Oc4cccc(Cl)n4)C[C@@H]3C2)cn1 ZINC001164766494 721131813 /nfs/dbraw/zinc/13/18/13/721131813.db2.gz LRBQUNUFWYCXOK-VKJFTORMSA-N 1 0 379.867 2.554 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4cc5ccc(Cl)nc5cn4)C[C@@H]3C2)cn1 ZINC001164772797 721143103 /nfs/dbraw/zinc/14/31/03/721143103.db2.gz WZIKNPUYNYRRFF-SJORKVTESA-N 1 0 382.899 2.975 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4ccc5c(Cl)ccnc5n4)C[C@@H]3C2)cn1 ZINC001164772730 721153274 /nfs/dbraw/zinc/15/32/74/721153274.db2.gz VSADOLFIRCUJQK-CVEARBPZSA-N 1 0 382.899 2.975 20 0 GFADRO c1coc(-c2ccc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)nn2)c1 ZINC001164878959 721161213 /nfs/dbraw/zinc/16/12/13/721161213.db2.gz RCFQHLAOKGUEKM-ROUUACIJSA-N 1 0 377.448 2.611 20 0 GFADRO Cc1ccc(-c2ccc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)nn2)o1 ZINC001164880362 721161950 /nfs/dbraw/zinc/16/19/50/721161950.db2.gz WAHJLNADOCPBIV-OALUTQOASA-N 1 0 391.475 2.920 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4ccnc(Cc5ccccc5)n4)C[C@H]3C2)cn1 ZINC001164772863 721216157 /nfs/dbraw/zinc/21/61/57/721216157.db2.gz VPSYRSYRNZCARH-NHCUHLMSSA-N 1 0 388.519 2.759 20 0 GFADRO CCc1nc2sccc2c(N2C[C@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)n1 ZINC001164763401 721227478 /nfs/dbraw/zinc/22/74/78/721227478.db2.gz FTTRWQLKSBZCGL-HZPDHXFCSA-N 1 0 382.537 2.946 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4nc(C5CC5)nc5[nH]ccc54)C[C@@H]3C2)cn1 ZINC001164764599 721237286 /nfs/dbraw/zinc/23/72/86/721237286.db2.gz OYTBAHOMSZHZBQ-IRXDYDNUSA-N 1 0 377.496 2.527 20 0 GFADRO COC(=O)c1ccc2c(c1)nc(Cl)nc2N1CC2(C1)CC[N@H+](CC1CC1)C2 ZINC001164772519 721289613 /nfs/dbraw/zinc/28/96/13/721289613.db2.gz IOEJRUGCRGIMGF-UHFFFAOYSA-N 1 0 386.883 2.992 20 0 GFADRO COc1cc(Cl)cnc1N1CC[C@@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2 ZINC001164892888 721388875 /nfs/dbraw/zinc/38/88/75/721388875.db2.gz UFQJCBGYXDPLMH-YLJYHZDGSA-N 1 0 394.947 2.509 20 0 GFADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4ncnc5ccc(F)cc54)C3)O2)CC1 ZINC001164893599 721389127 /nfs/dbraw/zinc/38/91/27/721389127.db2.gz VVPXYGBBTJEXLN-GCJKJVERSA-N 1 0 399.514 2.534 20 0 GFADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4nc(Cl)ccc4F)C3)O2)CC1 ZINC001164886827 721394218 /nfs/dbraw/zinc/39/42/18/721394218.db2.gz GQHTVXGNIYVGSF-BEFAXECRSA-N 1 0 382.911 2.640 20 0 GFADRO Cc1cc(N2CC[C@@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)ncc1Cl ZINC001164886137 721397779 /nfs/dbraw/zinc/39/77/79/721397779.db2.gz DMYFIRATANWCBJ-FXAWDEMLSA-N 1 0 378.948 2.809 20 0 GFADRO COc1cc(Cl)ncc1N1CC[C@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2 ZINC001164888851 721401523 /nfs/dbraw/zinc/40/15/23/721401523.db2.gz OYWHKQCLQOJOJK-UZLBHIALSA-N 1 0 394.947 2.509 20 0 GFADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4nccc(C(C)(C)C)n4)C3)O2)CC1 ZINC001164892600 721403793 /nfs/dbraw/zinc/40/37/93/721403793.db2.gz YYWKJKARRNJKPR-GCJKJVERSA-N 1 0 387.572 2.540 20 0 GFADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4ncnc5c(F)cccc54)C3)O2)CC1 ZINC001164886640 721405977 /nfs/dbraw/zinc/40/59/77/721405977.db2.gz KIHOIUOGTBLTEU-VGOFRKELSA-N 1 0 399.514 2.534 20 0 GFADRO COc1cc(Cl)nc(N2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)c1 ZINC001164889490 721406065 /nfs/dbraw/zinc/40/60/65/721406065.db2.gz RCXDZKWPDVFPCY-OXQOHEQNSA-N 1 0 394.947 2.509 20 0 GFADRO COc1ccc(Cl)nc1N1CC[C@@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2 ZINC001164888336 721417457 /nfs/dbraw/zinc/41/74/57/721417457.db2.gz OHTJVXWTUQMFBK-OXQOHEQNSA-N 1 0 394.947 2.509 20 0 GFADRO CCSc1ccnc(N2CC[C@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)c1 ZINC001164894293 721445791 /nfs/dbraw/zinc/44/57/91/721445791.db2.gz LLALWFXTPBQEBA-NQIIRXRSSA-N 1 0 390.597 2.959 20 0 GFADRO Fc1cccnc1OC[C@@]12COC[C@@H]1CN(c1ncccc1C[NH+]1CCCC1)C2 ZINC001164793431 721488842 /nfs/dbraw/zinc/48/88/42/721488842.db2.gz SISQXGVMNDPECS-PGRDOPGGSA-N 1 0 398.482 2.743 20 0 GFADRO COc1cnc(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)nc1OC ZINC001164792996 721495238 /nfs/dbraw/zinc/49/52/38/721495238.db2.gz XYYJKUURFNYDDX-UHFFFAOYSA-N 1 0 383.496 2.770 20 0 GFADRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1nccc3c1NC(=O)CO3)CC2 ZINC001164792564 721496193 /nfs/dbraw/zinc/49/61/93/721496193.db2.gz QWEYWMYLUIDYKC-UHFFFAOYSA-N 1 0 393.491 2.689 20 0 GFADRO COCCOc1ccc(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)nn1 ZINC001164795738 721500875 /nfs/dbraw/zinc/50/08/75/721500875.db2.gz LHBIAPQFASKDHR-UHFFFAOYSA-N 1 0 397.523 2.778 20 0 GFADRO Cc1cc(N2CCn3cc(CN4CC[NH+](C)CC4)nc3C2)nc2ccccc12 ZINC001164794049 721513198 /nfs/dbraw/zinc/51/31/98/721513198.db2.gz CREHPDRSWGVHOU-UHFFFAOYSA-N 1 0 376.508 2.507 20 0 GFADRO CCOC(=O)c1cccc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)n1 ZINC001164912451 721526885 /nfs/dbraw/zinc/52/68/85/721526885.db2.gz ZVLOPKYVSDEKKM-FUHWJXTLSA-N 1 0 385.439 2.739 20 0 GFADRO CCOC(=O)Cc1ccnc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)c1 ZINC001164909203 721565906 /nfs/dbraw/zinc/56/59/06/721565906.db2.gz SVRZIKAFBDAMEH-QUCCMNQESA-N 1 0 399.466 2.668 20 0 GFADRO CCOC(=O)Cc1ccnc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)c1 ZINC001164909204 721566077 /nfs/dbraw/zinc/56/60/77/721566077.db2.gz SVRZIKAFBDAMEH-UYAOXDASSA-N 1 0 399.466 2.668 20 0 GFADRO FC1(F)CCN(c2ccnc3ccnn32)C[C@@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164904539 721582722 /nfs/dbraw/zinc/58/27/22/721582722.db2.gz REMWYNNKQPFJQC-IBGZPJMESA-N 1 0 384.434 2.862 20 0 GFADRO COc1cc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)ncn1 ZINC001164902239 721583450 /nfs/dbraw/zinc/58/34/50/721583450.db2.gz DMGNVBRIBSKXEI-SFHVURJKSA-N 1 0 375.423 2.618 20 0 GFADRO CN(C)c1nccnc1N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164904040 721699672 /nfs/dbraw/zinc/69/96/72/721699672.db2.gz CPZOBPYMYXDXOY-LJQANCHMSA-N 1 0 388.466 2.675 20 0 GFADRO COc1cc(OC)nc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)n1 ZINC001165025009 721805268 /nfs/dbraw/zinc/80/52/68/721805268.db2.gz NBPSRSDWOUMXBR-JQHSSLGASA-N 1 0 383.496 2.626 20 0 GFADRO COc1cc(OC)nc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)n1 ZINC001165025010 721805283 /nfs/dbraw/zinc/80/52/83/721805283.db2.gz NBPSRSDWOUMXBR-RYQLBKOJSA-N 1 0 383.496 2.626 20 0 GFADRO C[N@H+](Cc1ccc(N2CC[C@@]3(C[C@H](Oc4cccnc4)CO3)C2)nc1)C1CC1 ZINC001164917400 721807340 /nfs/dbraw/zinc/80/73/40/721807340.db2.gz WGFNWGXCQHRCHQ-RBBKRZOGSA-N 1 0 380.492 2.888 20 0 GFADRO Cc1nc2nc(N3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)ncc2[nH]1 ZINC001165025463 721818871 /nfs/dbraw/zinc/81/88/71/721818871.db2.gz MVYMKQFWYQWITL-KVSKMBFKSA-N 1 0 377.496 2.745 20 0 GFADRO CCNC(=O)c1ccc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)nc1 ZINC001165027078 721823116 /nfs/dbraw/zinc/82/31/16/721823116.db2.gz RTKKJOQFXORNDH-SESVDKBCSA-N 1 0 393.535 2.963 20 0 GFADRO Cc1nc(CN2CCOC[C@]3(CN(c4cc(C)c(C)c[nH+]4)CCO3)C2)cs1 ZINC001164920136 721832837 /nfs/dbraw/zinc/83/28/37/721832837.db2.gz BCUCNBHFDAYICB-HXUWFJFHSA-N 1 0 388.537 2.571 20 0 GFADRO CCc1nc2sc3c(c2c(N2CC[C@@H]4[C@H]2CC[N@@H+]4CCN(C)C)n1)CCC3 ZINC001164931928 721877961 /nfs/dbraw/zinc/87/79/61/721877961.db2.gz GUAKEHCMMNEVSJ-HZPDHXFCSA-N 1 0 385.581 2.957 20 0 GFADRO C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2c1ccc(C(=O)OCc2ccccc2)cn1 ZINC001164930557 721882361 /nfs/dbraw/zinc/88/23/61/721882361.db2.gz DFAMLWCOVLBAGG-NHCUHLMSSA-N 1 0 394.519 2.653 20 0 GFADRO Cc1cc(N2CC[C@@H]3[C@H]2CC[N@H+]3CCN(C)C)nc(-c2ccc(Cl)nc2)n1 ZINC001164933526 721886601 /nfs/dbraw/zinc/88/66/01/721886601.db2.gz MOPVAHUQMYSSBU-IAGOWNOFSA-N 1 0 386.931 2.715 20 0 GFADRO c1ccc2nc(N3CC[NH+](C[C@H]4CCCO4)CC3)c(N3CCCCC3)nc2c1 ZINC000677878241 721916811 /nfs/dbraw/zinc/91/68/11/721916811.db2.gz RRIIUXTUBJFZNK-GOSISDBHSA-N 1 0 381.524 2.921 20 0 GFADRO CN(CC1CC[NH+](C)CC1)c1ccc(N2CCN(c3ccccc3)CC2)nn1 ZINC001165043372 721937099 /nfs/dbraw/zinc/93/70/99/721937099.db2.gz UKTBLGWCQFURSE-UHFFFAOYSA-N 1 0 380.540 2.581 20 0 GFADRO CCOC(=O)/C=C/c1cccnc1N1CC[NH+](CCOc2ccccc2)CC1 ZINC001165042826 721952514 /nfs/dbraw/zinc/95/25/14/721952514.db2.gz SBCCINMREZXULJ-ZHACJKMWSA-N 1 0 381.476 2.859 20 0 GFADRO CC[NH+](CC)C1CCN(c2c(Cl)nc(N3CCOCC3)nc2Cl)CC1 ZINC001165053720 722003655 /nfs/dbraw/zinc/00/36/55/722003655.db2.gz TXLLJAWVEAXJGM-UHFFFAOYSA-N 1 0 388.343 2.931 20 0 GFADRO COC(=O)c1cc2c(N3CC[NH+](CCc4ccccn4)CC3)[nH]c(Cl)cc-2n1 ZINC001165056565 722015412 /nfs/dbraw/zinc/01/54/12/722015412.db2.gz WGCYWVLUOPYZFI-UHFFFAOYSA-N 1 0 399.882 2.763 20 0 GFADRO CCn1cnc2c1ncnc2N1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001164955866 722022557 /nfs/dbraw/zinc/02/25/57/722022557.db2.gz PZWQHZZDHTTXTH-UHFFFAOYSA-N 1 0 377.496 2.734 20 0 GFADRO O=C(c1cscn1)N1CC[C@H]2[C@@H]1CCN2c1ncccc1C[NH+]1CCCC1 ZINC001164965702 722065863 /nfs/dbraw/zinc/06/58/63/722065863.db2.gz LMRNNOFBLLKSDL-ROUUACIJSA-N 1 0 383.521 2.627 20 0 GFADRO c1coc(-c2cnc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)cn2)c1 ZINC001164970927 722111468 /nfs/dbraw/zinc/11/14/68/722111468.db2.gz AQTKCLCHLDLYPI-WIYYLYMNSA-N 1 0 391.475 2.859 20 0 GFADRO C[NH+](C)CCOCc1ncn2c1CN(c1nccc3c4c([nH]c31)CCC4)CCC2 ZINC001165003491 722257846 /nfs/dbraw/zinc/25/78/46/722257846.db2.gz FFQWOTXVLAWMNI-UHFFFAOYSA-N 1 0 394.523 2.737 20 0 GFADRO C[C@H]1C[C@H](CCNc2ncc(S(N)(=O)=O)s2)C[N@@H+]1Cc1ccccc1 ZINC000511596281 531795078 /nfs/dbraw/zinc/79/50/78/531795078.db2.gz IRKUUQJYUIKTLD-ZFWWWQNUSA-N 1 0 380.539 2.503 20 0 GFADRO C[C@@H]1C[C@H]([NH3+])CN1C(=O)Nc1ccc(-c2ccc(Br)s2)nn1 ZINC000632940973 532651536 /nfs/dbraw/zinc/65/15/36/532651536.db2.gz FFSULBXSJAGYHI-BDAKNGLRSA-N 1 0 382.287 2.921 20 0 GFADRO Cc1ccccc1[C@@H](OC[C@H](O)C[NH+]1CCC(C(N)=O)CC1)c1ccccc1 ZINC000006559784 204184214 /nfs/dbraw/zinc/18/42/14/204184214.db2.gz FKDZOWDNZWDNSF-IRLDBZIGSA-N 1 0 382.504 2.659 20 0 GFADRO C[C@H](CNC(=O)Cc1csc(NC(=O)c2ccccc2)n1)C[NH+]1CCCC1 ZINC000047905268 205111429 /nfs/dbraw/zinc/11/14/29/205111429.db2.gz PRLLXCJPNAEZNJ-OAHLLOKOSA-N 1 0 386.521 2.786 20 0 GFADRO O=c1cc(C[NH+]2CCC(c3nnc4ccccn43)CC2)nc2ccc(Cl)cn12 ZINC000067442688 205247132 /nfs/dbraw/zinc/24/71/32/205247132.db2.gz PLHMFQIMIAAFNW-UHFFFAOYSA-N 1 0 394.866 2.770 20 0 GFADRO [NH3+][C@@H]1CCO[C@@H](C2CCN(C(=O)Cc3ccc(Br)s3)CC2)C1 ZINC000333345367 563628883 /nfs/dbraw/zinc/62/88/83/563628883.db2.gz ZDKDSEWAPVGAQD-TZMCWYRMSA-N 1 0 387.343 2.798 20 0 GFADRO CN(C)CC[N@H+](C)CCCN(C)C(=O)NCc1ccsc1Br ZINC000291469864 563744327 /nfs/dbraw/zinc/74/43/27/563744327.db2.gz GWAMNXPXFGWRDJ-UHFFFAOYSA-N 1 0 391.379 2.536 20 0 GFADRO COc1ccc([C@H](C)[NH2+]CC(=O)NC(=O)NCC(C)C)cc1Br ZINC000007879460 551101715 /nfs/dbraw/zinc/10/17/15/551101715.db2.gz QGYZRAPRPZPFPO-NSHDSACASA-N 1 0 386.290 2.590 20 0 GFADRO CNC(=O)c1ccc(C[NH2+]C[C@@H](O)COc2ccc(Cl)cc2Cl)cc1 ZINC000028920208 551125177 /nfs/dbraw/zinc/12/51/77/551125177.db2.gz OSUYILLRQWVTNA-OAHLLOKOSA-N 1 0 383.275 2.883 20 0 GFADRO CC(C)[N@H+](C)CCCNC(=O)Cc1cc2c(cc1Br)OCCO2 ZINC000041928335 551136860 /nfs/dbraw/zinc/13/68/60/551136860.db2.gz QNQODMJLJPRXID-UHFFFAOYSA-N 1 0 385.302 2.609 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)NC[C@H]1CCN(CC(F)(F)F)C1)c1ccsc1 ZINC000046346153 551149951 /nfs/dbraw/zinc/14/99/51/551149951.db2.gz JBVJXNCVFXBKLV-TZMCWYRMSA-N 1 0 378.464 2.534 20 0 GFADRO Cc1csc(N2CCN(C(=O)NC[C@@H](c3ccsc3)[NH+](C)C)CC2)n1 ZINC000046346955 551150036 /nfs/dbraw/zinc/15/00/36/551150036.db2.gz VPJWVAYLJBJUOK-HNNXBMFYSA-N 1 0 379.555 2.648 20 0 GFADRO CCC[N@@H+]1CC[C@@H](CNC(=O)NCC(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000054510339 551169533 /nfs/dbraw/zinc/16/95/33/551169533.db2.gz KVLLKWVSEGYKAD-LBPRGKRZSA-N 1 0 387.311 2.963 20 0 GFADRO Cc1ccc(S(=O)(=O)NC[C@@H](C)C[NH+]2CCCC2)c(Br)c1 ZINC000055265224 551172177 /nfs/dbraw/zinc/17/21/77/551172177.db2.gz YUFWTCRCIRFSRL-CYBMUJFWSA-N 1 0 375.332 2.768 20 0 GFADRO C[C@H](CNS(=O)(=O)c1ccccc1OC(F)(F)F)C[NH+]1CCCCC1 ZINC000055281377 551172640 /nfs/dbraw/zinc/17/26/40/551172640.db2.gz KDDUJAZGLJZYQJ-CYBMUJFWSA-N 1 0 380.432 2.986 20 0 GFADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)S(=O)(=O)c1cccnc1 ZINC000057020048 551179641 /nfs/dbraw/zinc/17/96/41/551179641.db2.gz BWTGGFBTQNGMEJ-UHFFFAOYSA-N 1 0 398.326 2.597 20 0 GFADRO CC[N@@H+]1CCC[C@H](CNS(=O)(=O)c2ccc(Br)c(C)c2)C1 ZINC000063850864 551184272 /nfs/dbraw/zinc/18/42/72/551184272.db2.gz BLCQLYCZAFQGFW-CYBMUJFWSA-N 1 0 375.332 2.768 20 0 GFADRO COc1cc(C(=O)NC[C@H]2CC[N@@H+](C(C)C)C2)cc(OC)c1Br ZINC000063835070 551184420 /nfs/dbraw/zinc/18/44/20/551184420.db2.gz BWJBQQQCMQYMBR-GFCCVEGCSA-N 1 0 385.302 2.926 20 0 GFADRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)[C@@H](C)NC(=O)c2cccc(Cl)c2Cl)C1 ZINC000067632266 551189779 /nfs/dbraw/zinc/18/97/79/551189779.db2.gz IICXLRJMIFYKKG-OLZOCXBDSA-N 1 0 386.323 2.958 20 0 GFADRO CC[N@H+](CCNC(=O)[C@H]1CC(=O)N(c2cccc(Br)c2)C1)C(C)C ZINC000110421531 551204474 /nfs/dbraw/zinc/20/44/74/551204474.db2.gz DBYYYZHILBLTJU-AWEZNQCLSA-N 1 0 396.329 2.649 20 0 GFADRO C[C@H]1SCCN(CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)[C@@H]1C ZINC000112645187 551206421 /nfs/dbraw/zinc/20/64/21/551206421.db2.gz CZQKMANRVFHAKB-HZPDHXFCSA-N 1 0 379.595 3.000 20 0 GFADRO C[C@H](CNC(=O)c1cc(=O)c2cc(Br)ccc2[nH]1)C[NH+]1CCCC1 ZINC000112630469 551206562 /nfs/dbraw/zinc/20/65/62/551206562.db2.gz OEBAGRFJMASKCU-GFCCVEGCSA-N 1 0 392.297 2.752 20 0 GFADRO C[C@@H](CNC(=O)c1cc2ccc(Br)cc2[nH]1)C[NH+]1CCN(C)CC1 ZINC000114141011 551209204 /nfs/dbraw/zinc/20/92/04/551209204.db2.gz OHBWHOQKFQWHQO-ZDUSSCGKSA-N 1 0 393.329 2.544 20 0 GFADRO O=C(CC[N@H+]1CCCN(CC(F)(F)F)CC1)NCc1ccccc1Cl ZINC000120342343 551219422 /nfs/dbraw/zinc/21/94/22/551219422.db2.gz GTXXNFNZFYTGLN-UHFFFAOYSA-N 1 0 377.838 2.916 20 0 GFADRO CC[NH+](CC)[C@@H]1CCN(S(=O)(=O)Cc2ccc(Br)cc2)C1 ZINC000121093452 551227163 /nfs/dbraw/zinc/22/71/63/551227163.db2.gz GXIZVHCIBZVDHZ-OAHLLOKOSA-N 1 0 375.332 2.695 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@H](NS(=O)(=O)Cc2ccc(Br)cc2)C1 ZINC000121287017 551231408 /nfs/dbraw/zinc/23/14/08/551231408.db2.gz FEHARCAPGSCXGK-LSDHHAIUSA-N 1 0 375.332 2.741 20 0 GFADRO Cc1ccc(-c2nc(C[N@@H+](C)C3CCN(S(C)(=O)=O)CC3)cs2)cc1 ZINC000121341373 551232295 /nfs/dbraw/zinc/23/22/95/551232295.db2.gz LTQHTROLWZCYEO-UHFFFAOYSA-N 1 0 379.551 2.974 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)c1cnn(-c2cccc(Br)c2)c1 ZINC000121852841 551244435 /nfs/dbraw/zinc/24/44/35/551244435.db2.gz QBRZFKVBDLTRJN-WBMJQRKESA-N 1 0 377.286 2.977 20 0 GFADRO O=C(NC[C@@H]1CCCN(C(=O)c2cc(Cl)sc2Cl)C1)[C@H]1CCC[NH2+]1 ZINC000122059431 551293766 /nfs/dbraw/zinc/29/37/66/551293766.db2.gz RPLFGJCTCMQIRV-CMPLNLGQSA-N 1 0 390.336 2.775 20 0 GFADRO Cc1ccc(NC(=O)C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)c(Br)c1 ZINC000122134528 551295179 /nfs/dbraw/zinc/29/51/79/551295179.db2.gz NCJYVZMXVZWEJV-CZUORRHYSA-N 1 0 394.313 2.639 20 0 GFADRO COc1ccc2cc(C[NH2+]CCNS(=O)(=O)c3cccs3)ccc2c1 ZINC000122257215 551296834 /nfs/dbraw/zinc/29/68/34/551296834.db2.gz WMSCSQWPKHLLCO-UHFFFAOYSA-N 1 0 376.503 2.978 20 0 GFADRO CC[N@H+](CCNC(=O)Nc1cc(Br)cnc1-n1cccn1)C1CC1 ZINC000122544821 551299823 /nfs/dbraw/zinc/29/98/23/551299823.db2.gz QNNHEMMMXSRPPM-UHFFFAOYSA-N 1 0 393.289 2.636 20 0 GFADRO COC1(C[NH2+]Cc2cc(Br)c3c(c2)OCCCO3)CCOCC1 ZINC000123149273 551303603 /nfs/dbraw/zinc/30/36/03/551303603.db2.gz NDLIPDIKHQKRRB-UHFFFAOYSA-N 1 0 386.286 2.896 20 0 GFADRO Cc1sc(C(=O)NC[C@H](C2CCCCC2)[NH+](C)C)cc1CS(C)(=O)=O ZINC000123390236 551306132 /nfs/dbraw/zinc/30/61/32/551306132.db2.gz KSCUXYQVPSLEBW-MRXNPFEDSA-N 1 0 386.583 2.841 20 0 GFADRO CC(C)N(CC[NH+](C)C)S(=O)(=O)c1cc(Br)c(F)cc1F ZINC000123382631 551306215 /nfs/dbraw/zinc/30/62/15/551306215.db2.gz ZUPGLXANDQPPTA-UHFFFAOYSA-N 1 0 385.274 2.688 20 0 GFADRO Cc1cc(S(=O)(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)sc1Br ZINC000123633788 551307797 /nfs/dbraw/zinc/30/77/97/551307797.db2.gz NDIKACAZLRJLAA-ZACCUICWSA-N 1 0 379.345 2.723 20 0 GFADRO O=C(N[C@H]1CC[NH2+]C2(CCC2)C1)c1csc(I)c1 ZINC000124212486 551311981 /nfs/dbraw/zinc/31/19/81/551311981.db2.gz VMVSXDOUXSHKHW-JTQLQIEISA-N 1 0 376.263 2.757 20 0 GFADRO C[NH+](C)CCOc1cc(CNC(=O)Cc2ccc(Br)s2)ccn1 ZINC000124375919 551313882 /nfs/dbraw/zinc/31/38/82/551313882.db2.gz RUNYJGXBWPZVOR-UHFFFAOYSA-N 1 0 398.326 2.705 20 0 GFADRO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)Cc1ccccc1I ZINC000124743684 551317517 /nfs/dbraw/zinc/31/75/17/551317517.db2.gz BLOWEHWKVIRDPO-OAHLLOKOSA-N 1 0 386.277 2.632 20 0 GFADRO C[C@@H]1C[NH2+]CCN1C(=O)c1ccc(NC(=O)CSc2cccs2)cc1 ZINC000125168288 551319898 /nfs/dbraw/zinc/31/98/98/551319898.db2.gz QWXIFEDYEADDFD-CYBMUJFWSA-N 1 0 375.519 2.913 20 0 GFADRO O=C(CN1CC[NH+](CC2CC2)CC1)Nc1c(F)cc(F)cc1Br ZINC000126207273 551327075 /nfs/dbraw/zinc/32/70/75/551327075.db2.gz DYGJDYGDFLNZSL-UHFFFAOYSA-N 1 0 388.256 2.693 20 0 GFADRO O=C(NC1CC[NH+](C2CCCC2)CC1)c1cncc(I)c1 ZINC000126901018 551334122 /nfs/dbraw/zinc/33/41/22/551334122.db2.gz LGTJQGPQEYZGKN-UHFFFAOYSA-N 1 0 399.276 2.823 20 0 GFADRO CC[N@H+](C)[C@H](C(=O)Nc1cc(Br)c(=O)n(C)c1)c1ccccc1 ZINC000126927306 551334739 /nfs/dbraw/zinc/33/47/39/551334739.db2.gz HYTDDYHQKQSGQA-HNNXBMFYSA-N 1 0 378.270 2.779 20 0 GFADRO C[NH+](C)C[C@H]1CCN(C(=O)Nc2cccc(F)c2I)C1 ZINC000127232064 551338378 /nfs/dbraw/zinc/33/83/78/551338378.db2.gz DTRGDAGPDLTRAH-SNVBAGLBSA-N 1 0 391.228 2.846 20 0 GFADRO C[C@H]1C[C@H](NC(=O)N2CCN(Cc3ccc(Cl)s3)CC2)C[N@@H+]1C1CC1 ZINC000127628116 551342600 /nfs/dbraw/zinc/34/26/00/551342600.db2.gz DNUGHSPUOGXTEM-KBPBESRZSA-N 1 0 382.961 2.854 20 0 GFADRO C[N@H+](CCNC(=O)c1ccc(Cl)c(NS(C)(=O)=O)c1)C1CCCCC1 ZINC000128961804 551354007 /nfs/dbraw/zinc/35/40/07/551354007.db2.gz VZHBWNJTGQCRIT-UHFFFAOYSA-N 1 0 387.933 2.706 20 0 GFADRO C[C@@H](CC[NH2+]Cc1cc(Br)c2c(c1)OCCCO2)[S@](C)=O ZINC000129334908 551355946 /nfs/dbraw/zinc/35/59/46/551355946.db2.gz GRFRRJCUHJCQIY-WIUDPPPLSA-N 1 0 376.316 2.857 20 0 GFADRO COC(=O)c1sc2ccccc2c1S(=O)(=O)N(CC[NH+](C)C)C(C)C ZINC000129427903 551357490 /nfs/dbraw/zinc/35/74/90/551357490.db2.gz AKMYTWGUAZUZKH-UHFFFAOYSA-N 1 0 384.523 2.649 20 0 GFADRO O=C(C[C@@H]1CC[NH2+]C1)Nc1ccc(CCn2cc(Br)cn2)cc1 ZINC000129697109 551358740 /nfs/dbraw/zinc/35/87/40/551358740.db2.gz UIRWNZTZVJLYSN-AWEZNQCLSA-N 1 0 377.286 2.826 20 0 GFADRO CC[C@@H]([NH3+])C(=O)N[C@@H](c1ccc(Cl)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000129970428 551360538 /nfs/dbraw/zinc/36/05/38/551360538.db2.gz VHWRVSLTCVLYHH-SJORKVTESA-N 1 0 380.897 2.686 20 0 GFADRO Cc1c(I)cccc1C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000130003905 551360753 /nfs/dbraw/zinc/36/07/53/551360753.db2.gz RCCVPWGGPQAFFD-GFCCVEGCSA-N 1 0 384.261 2.814 20 0 GFADRO C[NH+](C)CC1CCC(NC(=O)CCS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000130312372 551363274 /nfs/dbraw/zinc/36/32/74/551363274.db2.gz JAAVMFLIRMMSAY-UHFFFAOYSA-N 1 0 386.945 2.740 20 0 GFADRO O=C(NC[C@H]1CCCC[NH2+]1)[C@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1 ZINC000130709227 551368182 /nfs/dbraw/zinc/36/81/82/551368182.db2.gz QLDQHSBZRKJADV-CZUORRHYSA-N 1 0 384.307 2.856 20 0 GFADRO COc1cccc(C[NH2+]C[C@H](O)COc2ccccc2Br)c1OC ZINC000131046213 551371426 /nfs/dbraw/zinc/37/14/26/551371426.db2.gz NPGKTVHREMSABZ-AWEZNQCLSA-N 1 0 396.281 2.996 20 0 GFADRO CN1CC[NH+](CCCCNC(=O)[C@H]2C[C@H]2c2cccc(Br)c2)CC1 ZINC000149555016 551399111 /nfs/dbraw/zinc/39/91/11/551399111.db2.gz LJWIYRSZPSIUNY-ROUUACIJSA-N 1 0 394.357 2.696 20 0 GFADRO CCO[C@@H](CC[NH+](C)C)CNS(=O)(=O)c1cc(Cl)c(OC)cc1Cl ZINC000150873331 551403148 /nfs/dbraw/zinc/40/31/48/551403148.db2.gz DZQOLGHVQCWSOB-NSHDSACASA-N 1 0 399.340 2.637 20 0 GFADRO C[C@@H]1C[C@H](N(C)C(=O)NCCOc2ncc(Cl)cc2Cl)CC[N@@H+]1C ZINC000151036173 551406020 /nfs/dbraw/zinc/40/60/20/551406020.db2.gz WHVZHPZSWKVMSB-DGCLKSJQSA-N 1 0 375.300 2.891 20 0 GFADRO O=S(=O)(NCc1cccc(F)c1)c1cccc(C[NH2+][C@@H]2CCSC2)c1 ZINC000151552545 551415871 /nfs/dbraw/zinc/41/58/71/551415871.db2.gz ZYWDCJMKPWFPRJ-QGZVFWFLSA-N 1 0 380.510 2.899 20 0 GFADRO CC(C)N(CC[NH+](C)C)C(=O)c1cc(F)c(F)cc1I ZINC000151984702 551424485 /nfs/dbraw/zinc/42/44/85/551424485.db2.gz ITSXKWGRKUJVLZ-UHFFFAOYSA-N 1 0 396.219 2.982 20 0 GFADRO CC(C)[NH+]1CCC(NC(=O)Nc2ccc(NS(C)(=O)=O)c(Cl)c2)CC1 ZINC000152162427 551427400 /nfs/dbraw/zinc/42/74/00/551427400.db2.gz HJZAHDGHKYWGRN-UHFFFAOYSA-N 1 0 388.921 2.706 20 0 GFADRO O=C(CCc1cccc(Br)c1)NCCCC[N@H+]1CCC[C@@H]1CO ZINC000152177679 551427919 /nfs/dbraw/zinc/42/79/19/551427919.db2.gz JDQPAEHTKKPCOZ-QGZVFWFLSA-N 1 0 383.330 2.735 20 0 GFADRO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]CCc2nc(C(F)(F)F)cs2)c1 ZINC000152221346 551428428 /nfs/dbraw/zinc/42/84/28/551428428.db2.gz QWVFXRXXEHHXGS-SNVBAGLBSA-N 1 0 393.456 2.963 20 0 GFADRO C[NH+](C)C[C@@H]1CCCCN1C(=O)c1ccc(F)c(I)c1 ZINC000152383818 551432112 /nfs/dbraw/zinc/43/21/12/551432112.db2.gz PLSMUAJXTSYKLH-LBPRGKRZSA-N 1 0 390.240 2.987 20 0 GFADRO C[C@H]1CCC[N@@H+]1C1CCN(C(=O)c2cncc(I)c2)CC1 ZINC000152570514 551436048 /nfs/dbraw/zinc/43/60/48/551436048.db2.gz PSMUWEQGRMAJIT-LBPRGKRZSA-N 1 0 399.276 2.775 20 0 GFADRO NC(=O)C1(C[NH2+][C@@H]2CCCOc3c(Br)cccc32)CCOCC1 ZINC000153142836 551447471 /nfs/dbraw/zinc/44/74/71/551447471.db2.gz DWPZATUZMKCKMH-CQSZACIVSA-N 1 0 383.286 2.535 20 0 GFADRO C[C@@H]1CN(C(=O)CCc2nc(-c3cc(Br)cs3)no2)C[C@H](C)[NH2+]1 ZINC000153228829 551449137 /nfs/dbraw/zinc/44/91/37/551449137.db2.gz GYYFVWWGORRQSK-AOOOYVTPSA-N 1 0 399.314 2.702 20 0 GFADRO CCOc1cc(Br)c(CC(=O)N2C[C@@H](C)[NH2+][C@H](C)C2)cc1OCC ZINC000153314537 551450097 /nfs/dbraw/zinc/45/00/97/551450097.db2.gz RJTHQJSNVPFKDZ-CHWSQXEVSA-N 1 0 399.329 2.998 20 0 GFADRO C[C@@H]1CN(C(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CCCC2)C[C@H](C)[NH2+]1 ZINC000153337286 551450441 /nfs/dbraw/zinc/45/04/41/551450441.db2.gz JXTSZLANMAWSPI-OKILXGFUSA-N 1 0 384.929 2.635 20 0 GFADRO O=C(c1c(F)cccc1I)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000153391013 551451538 /nfs/dbraw/zinc/45/15/38/551451538.db2.gz KPAXTVUBIJCBJJ-NSHDSACASA-N 1 0 388.224 2.741 20 0 GFADRO CN(C(=O)c1ccc(F)cc1I)[C@@H]1CCC[N@H+](C)C1 ZINC000153506992 551454384 /nfs/dbraw/zinc/45/43/84/551454384.db2.gz XHUQATDNLMKFRG-LLVKDONJSA-N 1 0 376.213 2.597 20 0 GFADRO CN(C(=O)c1ccc(F)cc1I)[C@H]1CCC[N@H+](C)C1 ZINC000153506854 551454441 /nfs/dbraw/zinc/45/44/41/551454441.db2.gz XHUQATDNLMKFRG-NSHDSACASA-N 1 0 376.213 2.597 20 0 GFADRO Cc1c(C(=O)N2C[C@@H](C)[NH2+][C@H](C)C2)cnn1-c1cccc(Br)c1 ZINC000153563132 551455656 /nfs/dbraw/zinc/45/56/56/551455656.db2.gz RUPLTOWDMKWBJN-VXGBXAGGSA-N 1 0 377.286 2.766 20 0 GFADRO C[C@H]1CN(C(=O)c2cc(I)ccc2Cl)C[C@H](C)[NH2+]1 ZINC000153595321 551456548 /nfs/dbraw/zinc/45/65/48/551456548.db2.gz KTQIJGZXZNBHBD-IUCAKERBSA-N 1 0 378.641 2.767 20 0 GFADRO C[C@H]([NH2+]C1CCN(S(=O)(=O)c2cnn(C)c2)CC1)c1cccc(Cl)c1 ZINC000153627786 551457147 /nfs/dbraw/zinc/45/71/47/551457147.db2.gz OCKWVKYZHQDUAT-ZDUSSCGKSA-N 1 0 382.917 2.577 20 0 GFADRO CC(C)c1cc(Br)ccc1NC(=O)C(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000153750906 551460111 /nfs/dbraw/zinc/46/01/11/551460111.db2.gz BGWZMZZFXDWPEO-CYBMUJFWSA-N 1 0 396.329 2.969 20 0 GFADRO C[C@@H](Cn1cc(Br)cn1)[NH2+]CC1(N2CCSCC2)CCCC1 ZINC000153815209 551461079 /nfs/dbraw/zinc/46/10/79/551461079.db2.gz MCYPWFBPVHQQBT-AWEZNQCLSA-N 1 0 387.391 2.985 20 0 GFADRO CC[NH+](CC)C[C@@H]1CCN(C(=O)C(=O)Nc2cc(C)ccc2Br)C1 ZINC000153950268 551463395 /nfs/dbraw/zinc/46/33/95/551463395.db2.gz WAKWQYGKRXCSQK-AWEZNQCLSA-N 1 0 396.329 2.886 20 0 GFADRO CCC[NH2+]CCNC(=O)c1ccc(-n2nc(C)c(Br)c2C)cc1 ZINC000154338280 551472660 /nfs/dbraw/zinc/47/26/60/551472660.db2.gz UBAWKGKMBXSXIU-UHFFFAOYSA-N 1 0 379.302 2.981 20 0 GFADRO CS[C@H](CO)[C@@H](C)[NH2+][C@H](C)CC(=O)Nc1ccc(Br)cc1 ZINC000154344261 551472805 /nfs/dbraw/zinc/47/28/05/551472805.db2.gz KDFFOZINAFAAHG-JTNHKYCSSA-N 1 0 375.332 2.868 20 0 GFADRO O[C@H](COC1CCOCC1)C[N@H+](Cc1cccc(Br)c1)C1CC1 ZINC000154375160 551473620 /nfs/dbraw/zinc/47/36/20/551473620.db2.gz KYWCTJHKPSFTKI-KRWDZBQOSA-N 1 0 384.314 2.970 20 0 GFADRO COC[C@](C)(CCO)[NH2+]Cc1ccnc(-c2ccc(Br)cc2)n1 ZINC000154434798 551475303 /nfs/dbraw/zinc/47/53/03/551475303.db2.gz KLOTZOQTMCJCOZ-KRWDZBQOSA-N 1 0 380.286 2.783 20 0 GFADRO COC(=O)CC1([NH2+]CC(=O)Nc2ccc(Cl)cc2Cl)CCOCC1 ZINC000154492110 551476398 /nfs/dbraw/zinc/47/63/98/551476398.db2.gz URSYWYVEMPCJSV-UHFFFAOYSA-N 1 0 375.252 2.634 20 0 GFADRO CCN1CC[NH+](C[C@H](C)CNC(=O)c2cc(C)ccc2Br)CC1 ZINC000154658375 551480313 /nfs/dbraw/zinc/48/03/13/551480313.db2.gz PLMTWHYCSVZWSX-OAHLLOKOSA-N 1 0 382.346 2.761 20 0 GFADRO OCCN1CC[NH+](CCCC[NH2+][C@H]2CCc3c2cc(Cl)cc3Cl)CC1 ZINC000154696622 551481065 /nfs/dbraw/zinc/48/10/65/551481065.db2.gz KDCOIHBYHIHCIF-IBGZPJMESA-N 1 0 386.367 2.960 20 0 GFADRO COCCN1CCC([NH2+][C@H](C)CC(=O)Nc2cccc(Br)c2)CC1 ZINC000154818708 551483695 /nfs/dbraw/zinc/48/36/95/551483695.db2.gz WUOOEJUXPQQPAO-CQSZACIVSA-N 1 0 398.345 2.867 20 0 GFADRO C[NH+](C)CC[C@H](NC(=O)CNC(=O)c1ccc(Br)cc1)C(C)(C)C ZINC000154953426 551486757 /nfs/dbraw/zinc/48/67/57/551486757.db2.gz LXXJVAUMBVDZOR-HNNXBMFYSA-N 1 0 398.345 2.662 20 0 GFADRO C[C@H](NC(=O)c1cc(=O)c2cc(Br)ccc2[nH]1)C(C)(C)C[NH+](C)C ZINC000155044238 551489637 /nfs/dbraw/zinc/48/96/37/551489637.db2.gz FQBFCHWYIKKQBP-NSHDSACASA-N 1 0 394.313 2.997 20 0 GFADRO O=C(Nc1ccccc1Br)C1CCN(C(=O)[C@H]2CCCC[NH2+]2)CC1 ZINC000155123474 551492078 /nfs/dbraw/zinc/49/20/78/551492078.db2.gz AHKQBSPEUNITPW-MRXNPFEDSA-N 1 0 394.313 2.768 20 0 GFADRO CC[C@@H](C)[C@H]([NH3+])C(=O)NCC1(c2ccc(Br)cc2)CCOCC1 ZINC000155400989 551499063 /nfs/dbraw/zinc/49/90/63/551499063.db2.gz BQMXLFHATXSBJB-CJNGLKHVSA-N 1 0 383.330 2.987 20 0 GFADRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C(=O)Nc2ccccc2Br)C1 ZINC000155496465 551500718 /nfs/dbraw/zinc/50/07/18/551500718.db2.gz OEHWAKZQPPPTRF-CQSZACIVSA-N 1 0 396.329 2.872 20 0 GFADRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)Nc2cccc(Br)c2)C1 ZINC000155496843 551501042 /nfs/dbraw/zinc/50/10/42/551501042.db2.gz FLOHZDJASLEPFH-AWEZNQCLSA-N 1 0 396.329 2.872 20 0 GFADRO CCN(CC[NH2+][C@@H](C)c1ccc(S(=O)(=O)C(F)F)c(OC)c1)C1CC1 ZINC000155861191 551509121 /nfs/dbraw/zinc/50/91/21/551509121.db2.gz RGSCZYNNSITSQM-LBPRGKRZSA-N 1 0 376.469 2.826 20 0 GFADRO Cc1cc(Br)cc2cc(C(=O)N[C@H](C)CN3CC[NH+](C)CC3)oc21 ZINC000156236618 551518418 /nfs/dbraw/zinc/51/84/18/551518418.db2.gz WBYCVPDBJNHRHI-CYBMUJFWSA-N 1 0 394.313 2.869 20 0 GFADRO CN(C(=O)c1ccc(F)c(I)c1)[C@@H]1CCC[N@H+](C)C1 ZINC000156542296 551524499 /nfs/dbraw/zinc/52/44/99/551524499.db2.gz LEPNSKXZPRDJHT-LLVKDONJSA-N 1 0 376.213 2.597 20 0 GFADRO CN(C(=O)c1ccc(F)c(I)c1)[C@H]1CCC[N@H+](C)C1 ZINC000156542127 551524510 /nfs/dbraw/zinc/52/45/10/551524510.db2.gz LEPNSKXZPRDJHT-NSHDSACASA-N 1 0 376.213 2.597 20 0 GFADRO CCS(=O)(=O)N(C)CCC[NH2+][C@@H](C)c1ccc(F)c(Br)c1 ZINC000156880704 551529997 /nfs/dbraw/zinc/52/99/97/551529997.db2.gz IGYSBSCRRKUWQO-NSHDSACASA-N 1 0 381.311 2.910 20 0 GFADRO CCS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)c1 ZINC000157226168 551535585 /nfs/dbraw/zinc/53/55/85/551535585.db2.gz VOCNTXJWVKYEDE-DYVFJYSZSA-N 1 0 384.929 2.690 20 0 GFADRO CSCC[C@@H]([NH3+])C(=O)Nc1cc(F)c(I)c(F)c1 ZINC000157235311 551535632 /nfs/dbraw/zinc/53/56/32/551535632.db2.gz ZZKHKKQKBSCJQZ-SECBINFHSA-N 1 0 386.205 2.588 20 0 GFADRO CC[N@@H+]1CC[C@@H](CNC(=O)c2cc(I)cc(C)c2C)C1 ZINC000158272596 551549702 /nfs/dbraw/zinc/54/97/02/551549702.db2.gz RUPWQWLQOWDVJH-ZDUSSCGKSA-N 1 0 386.277 2.980 20 0 GFADRO O=C([C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000158692725 551554984 /nfs/dbraw/zinc/55/49/84/551554984.db2.gz HYHFVOMJWLDZTN-UGSOOPFHSA-N 1 0 382.291 2.558 20 0 GFADRO COC(=O)c1cc(Cl)ccc1S(=O)(=O)NC[C@@H](C)[NH+]1CCC(C)CC1 ZINC000158764882 551556001 /nfs/dbraw/zinc/55/60/01/551556001.db2.gz AQYJRVOSNCHWHW-CYBMUJFWSA-N 1 0 388.917 2.525 20 0 GFADRO O=C(c1ccc(Cl)c(I)c1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000159001809 551559658 /nfs/dbraw/zinc/55/96/58/551559658.db2.gz IZYNZCGBHBMJHB-AWEZNQCLSA-N 1 0 390.652 2.770 20 0 GFADRO O=C(CCc1ccc(Cl)s1)NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000159148719 551561569 /nfs/dbraw/zinc/56/15/69/551561569.db2.gz CXODEIDRQXEHDB-MRXNPFEDSA-N 1 0 378.925 2.870 20 0 GFADRO Cc1c(C(=O)N2CC[C@]3(CC[NH2+]C3)C2)cnn1-c1cccc(Br)c1 ZINC000159252335 551562529 /nfs/dbraw/zinc/56/25/29/551562529.db2.gz MEGHXPMLTVBBQQ-SFHVURJKSA-N 1 0 389.297 2.769 20 0 GFADRO O=C(NC[C@H]1CCC[NH2+]C1)c1cc(Br)ccc1Br ZINC000160930346 551587958 /nfs/dbraw/zinc/58/79/58/551587958.db2.gz MTEUISCGGBHWIL-VIFPVBQESA-N 1 0 376.092 2.941 20 0 GFADRO CC[NH+](CC)[C@H](C)CNC(=O)N(C)[C@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000161826841 551598948 /nfs/dbraw/zinc/59/89/48/551598948.db2.gz PILZWJYCALAJQK-DOMZBBRYSA-N 1 0 387.933 2.540 20 0 GFADRO COc1ccc(CC[NH2+][C@@H](C(N)=O)c2cccc(Br)c2)cc1OC ZINC000161805379 551599092 /nfs/dbraw/zinc/59/90/92/551599092.db2.gz AKXNCQVANDIXSX-QGZVFWFLSA-N 1 0 393.281 2.825 20 0 GFADRO NC(=O)[C@H]([NH2+]CCc1ccc2c(c1)OCO2)c1cccc(Br)c1 ZINC000161840647 551599469 /nfs/dbraw/zinc/59/94/69/551599469.db2.gz OEMPVBNBZZSRIY-MRXNPFEDSA-N 1 0 377.238 2.537 20 0 GFADRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NS(=O)(=O)Cc1ccc(Cl)nc1 ZINC000162334223 551607198 /nfs/dbraw/zinc/60/71/98/551607198.db2.gz IXLGOUJUCNJYCI-YOEHRIQHSA-N 1 0 379.913 2.675 20 0 GFADRO COc1ccc(Br)cc1C(=O)CCC(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000162436795 551608650 /nfs/dbraw/zinc/60/86/50/551608650.db2.gz GQSGRTXPHKASOH-OLZOCXBDSA-N 1 0 383.286 2.807 20 0 GFADRO C[N@H+](C[C@H](O)COc1ccc(Cl)cc1Br)C[C@H]1CCC[C@@H]1O ZINC000162503584 551608946 /nfs/dbraw/zinc/60/89/46/551608946.db2.gz JHQCZORMEIWIND-ZLDLUXBVSA-N 1 0 392.721 2.935 20 0 GFADRO C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)Nc1cc(F)ccc1Br ZINC000162645959 551610981 /nfs/dbraw/zinc/61/09/81/551610981.db2.gz CJAOBIYHVGCNLH-LLVKDONJSA-N 1 0 386.265 2.517 20 0 GFADRO CC(C)CN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(Br)c(F)c1 ZINC000162771947 551612403 /nfs/dbraw/zinc/61/24/03/551612403.db2.gz HRDDAAVFEQECTL-UHFFFAOYSA-N 1 0 388.281 2.573 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CN(C(=O)CCc2cc(Cl)ccc2Br)CCO1 ZINC000163099252 551616022 /nfs/dbraw/zinc/61/60/22/551616022.db2.gz KICRTEMWQDZFHR-HZMBPMFUSA-N 1 0 375.694 2.610 20 0 GFADRO O=C(NCC[C@H]1CC[NH2+]C1)Nc1ccc(F)cc1I ZINC000415249550 563763739 /nfs/dbraw/zinc/76/37/39/563763739.db2.gz JRHFWKRLIUVONC-SECBINFHSA-N 1 0 377.201 2.551 20 0 GFADRO Cc1[nH]c(=O)c(C(=O)N(CC[NH+](C)C)Cc2ccco2)cc1Br ZINC000163189037 551617424 /nfs/dbraw/zinc/61/74/24/551617424.db2.gz XGTQPNUEEOPEHO-UHFFFAOYSA-N 1 0 382.258 2.655 20 0 GFADRO C[C@H](C(=O)N1CC[C@H](C[NH+]2CCOCC2)C1)c1ccc(Br)cc1 ZINC000163695090 551621255 /nfs/dbraw/zinc/62/12/55/551621255.db2.gz IVVGDYIIANFYRC-LSDHHAIUSA-N 1 0 381.314 2.733 20 0 GFADRO CC[N@H+](CCCCS(C)(=O)=O)CCOc1ccc(Br)cc1 ZINC000163710657 551621893 /nfs/dbraw/zinc/62/18/93/551621893.db2.gz MLRUTYUTQFZLJZ-UHFFFAOYSA-N 1 0 378.332 2.975 20 0 GFADRO COCCN(CC[NH+](C)C)C(=O)Cc1c[nH]c2cc(Br)ccc12 ZINC000163845208 551622540 /nfs/dbraw/zinc/62/25/40/551622540.db2.gz VCGMYKGAIUFGGE-UHFFFAOYSA-N 1 0 382.302 2.510 20 0 GFADRO C[C@@H](C(=O)NC[C@H](O)COc1ccccc1Br)[NH+]1CCCCCC1 ZINC000166409638 551631900 /nfs/dbraw/zinc/63/19/00/551631900.db2.gz QKHVUVZSTHUEST-GJZGRUSLSA-N 1 0 399.329 2.570 20 0 GFADRO O=S(=O)(N1CCC([NH2+][C@@H]2CSCCc3ccccc32)CC1)C(F)(F)F ZINC000168096189 551634233 /nfs/dbraw/zinc/63/42/33/551634233.db2.gz BLPBNZLNPFEFNB-OAHLLOKOSA-N 1 0 394.484 2.921 20 0 GFADRO Cc1c(Br)cccc1NC(=O)C(=O)NC[C@H](C(C)C)[NH+]1CCCC1 ZINC000170703559 551638231 /nfs/dbraw/zinc/63/82/31/551638231.db2.gz HJBMNILJVWOQNH-MRXNPFEDSA-N 1 0 396.329 2.933 20 0 GFADRO C[C@H]1C[NH+](CC2CCN(C(=O)c3ccc(Br)cn3)CC2)C[C@H](C)O1 ZINC000170763562 551639311 /nfs/dbraw/zinc/63/93/11/551639311.db2.gz GQRUZUPJVVRNPP-KBPBESRZSA-N 1 0 396.329 2.806 20 0 GFADRO COCC[N@H+](C)CCNC(=O)N(Cc1cccc(Br)c1)C1CC1 ZINC000171211631 551649664 /nfs/dbraw/zinc/64/96/64/551649664.db2.gz YPMZQVXZLSSQLT-UHFFFAOYSA-N 1 0 384.318 2.701 20 0 GFADRO COC(=O)[C@@H](C)C[N@H+](CC(=O)N[C@@H](C)c1ccc(Br)cc1)C1CC1 ZINC000171302541 551652669 /nfs/dbraw/zinc/65/26/69/551652669.db2.gz FNGALAAXRULUIH-STQMWFEESA-N 1 0 397.313 2.900 20 0 GFADRO COc1ccc(Br)cc1CNC(=O)NCCC1CC[NH+](C)CC1 ZINC000171361417 551653948 /nfs/dbraw/zinc/65/39/48/551653948.db2.gz XOSZFXGNLLHVHP-UHFFFAOYSA-N 1 0 384.318 2.989 20 0 GFADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H](C)c1ccc(Br)cc1 ZINC000171897918 551666436 /nfs/dbraw/zinc/66/64/36/551666436.db2.gz XUGUISNHMIOSBJ-XJKSGUPXSA-N 1 0 384.318 2.920 20 0 GFADRO CN1CCC([NH+]2CCC(NC(=O)[C@H]3SCCc4sccc43)CC2)CC1 ZINC000172929817 551690103 /nfs/dbraw/zinc/69/01/03/551690103.db2.gz UPMVVZVDXFTLDW-SFHVURJKSA-N 1 0 379.595 2.753 20 0 GFADRO CCc1ccc([C@H](CNC(=O)c2c[nH]c(=O)c(Br)c2)[NH+](C)C)cc1 ZINC000172981794 551691627 /nfs/dbraw/zinc/69/16/27/551691627.db2.gz AZELXDYNZPIHFX-INIZCTEOSA-N 1 0 392.297 2.733 20 0 GFADRO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)Nc1ccc(Br)c(Cl)c1 ZINC000415434858 563775750 /nfs/dbraw/zinc/77/57/50/563775750.db2.gz WQPQHQMTEIVTEW-SNVBAGLBSA-N 1 0 376.682 2.531 20 0 GFADRO Cc1c(Br)ccc(NC(=O)C(=O)N(C)CC[C@H]([NH3+])C(C)C)c1F ZINC000415507817 563780090 /nfs/dbraw/zinc/78/00/90/563780090.db2.gz UGAGUJPLMOVQBC-LBPRGKRZSA-N 1 0 388.281 2.667 20 0 GFADRO COc1cc(I)ccc1NC(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000415773108 563795716 /nfs/dbraw/zinc/79/57/16/563795716.db2.gz LRGUYPWDBIQTIV-CQSZACIVSA-N 1 0 389.237 2.502 20 0 GFADRO CC(C)[NH+](CCCNC(=O)c1cc(I)c[nH]1)C(C)C ZINC000173607265 552088804 /nfs/dbraw/zinc/08/88/04/552088804.db2.gz SKDAUEZIKZDOFU-UHFFFAOYSA-N 1 0 377.270 2.858 20 0 GFADRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)c2c[nH]c(=O)c(Br)c2)C1 ZINC000173108501 552078121 /nfs/dbraw/zinc/07/81/21/552078121.db2.gz KWQPUYAGPHZFHU-CHWSQXEVSA-N 1 0 384.318 2.625 20 0 GFADRO Cc1ccc(Br)cc1S(=O)(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000173239692 552080535 /nfs/dbraw/zinc/08/05/35/552080535.db2.gz GTUWIOOWNZILTP-GXTWGEPZSA-N 1 0 375.332 2.718 20 0 GFADRO C[NH+]1CCN([C@@H]2CCCCN(C(=O)c3cc(Br)ccc3F)C2)CC1 ZINC000173295546 552082166 /nfs/dbraw/zinc/08/21/66/552082166.db2.gz ROXNJWZKVDJVSN-OAHLLOKOSA-N 1 0 398.320 2.830 20 0 GFADRO C[C@H](CNC(=O)NCCSc1ccc(Cl)cc1)C[NH+]1CCN(C)CC1 ZINC000173500503 552086724 /nfs/dbraw/zinc/08/67/24/552086724.db2.gz AJRBDIWXQRZQDH-OAHLLOKOSA-N 1 0 384.977 2.615 20 0 GFADRO CC1CC[NH+](C[C@H]2CCCN(Cc3csc(CS(C)(=O)=O)n3)C2)CC1 ZINC000173593610 552089002 /nfs/dbraw/zinc/08/90/02/552089002.db2.gz MLIKZSYMQDZYGT-MRXNPFEDSA-N 1 0 385.599 2.632 20 0 GFADRO CC[NH+](CC)C[C@H]1CCN(C(=O)C(=O)Nc2ccc(C)c(Br)c2)C1 ZINC000173611815 552089083 /nfs/dbraw/zinc/08/90/83/552089083.db2.gz ZDLSEYXNXLIFQQ-CQSZACIVSA-N 1 0 396.329 2.886 20 0 GFADRO COc1ccc([C@@H](C)NC(=O)c2csc(CC[NH3+])n2)cc1Br ZINC000173662858 552090282 /nfs/dbraw/zinc/09/02/82/552090282.db2.gz CRXUFBXZAFARKA-SECBINFHSA-N 1 0 384.299 2.906 20 0 GFADRO CC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)C1 ZINC000174025210 552096820 /nfs/dbraw/zinc/09/68/20/552096820.db2.gz ZBRWPXRFSAFHNM-NSHDSACASA-N 1 0 382.860 2.904 20 0 GFADRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)S(=O)(=O)c1ccc(Cl)nc1 ZINC000174039809 552097682 /nfs/dbraw/zinc/09/76/82/552097682.db2.gz WUPAGAAZBMWJHU-MRXNPFEDSA-N 1 0 379.913 2.878 20 0 GFADRO CC[C@H](CO)[NH+]1CCN(Cc2coc(-c3ccc(Br)cc3)n2)CC1 ZINC000174130883 552100318 /nfs/dbraw/zinc/10/03/18/552100318.db2.gz JOBHLMWSNAQUNT-QGZVFWFLSA-N 1 0 394.313 2.993 20 0 GFADRO CC[NH+](CC)CCCNC(=O)C(=O)Nc1c(F)cc(Br)cc1F ZINC000174556241 552106275 /nfs/dbraw/zinc/10/62/75/552106275.db2.gz HEQGPXCTWUODNG-UHFFFAOYSA-N 1 0 392.244 2.514 20 0 GFADRO CC[C@@H]1CN(C(=O)c2cc3ccc(Br)cc3[nH]2)CC[N@@H+]1C[C@@H](C)O ZINC000174607335 552106755 /nfs/dbraw/zinc/10/67/55/552106755.db2.gz NGNHBUNZCLEKPX-IUODEOHRSA-N 1 0 394.313 2.848 20 0 GFADRO Cn1cc(N2CC[NH+](CCC(=O)Nc3c(Cl)cccc3Cl)CC2)cn1 ZINC000174902042 552112156 /nfs/dbraw/zinc/11/21/56/552112156.db2.gz XJHMJUCZBDSANH-UHFFFAOYSA-N 1 0 382.295 2.878 20 0 GFADRO C[NH+](C)CC(C)(C)CNC(=O)c1cc(=O)[nH]c2c(Br)cccc12 ZINC000175081480 552115439 /nfs/dbraw/zinc/11/54/39/552115439.db2.gz BCNVZRUEGCOECF-UHFFFAOYSA-N 1 0 380.286 2.608 20 0 GFADRO CC[NH+](CC)CCSCC(=O)N[C@@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000175114565 552115928 /nfs/dbraw/zinc/11/59/28/552115928.db2.gz TVZTUOWZBQAJTL-MRXNPFEDSA-N 1 0 383.945 2.637 20 0 GFADRO Cc1c(Br)cccc1NC(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000175317585 552119405 /nfs/dbraw/zinc/11/94/05/552119405.db2.gz NQXGTVRWTCBYRP-UHFFFAOYSA-N 1 0 383.334 2.905 20 0 GFADRO CC(C)OCCN1CCN(C(=O)Nc2nnc(-c3ccsc3)s2)CC1 ZINC000175763153 552128590 /nfs/dbraw/zinc/12/85/90/552128590.db2.gz DAAICMPFBABDEL-UHFFFAOYSA-N 1 0 381.527 2.841 20 0 GFADRO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NCc1ccc(Br)c(F)c1 ZINC000175777102 552129282 /nfs/dbraw/zinc/12/92/82/552129282.db2.gz SYEIUEJZMAAIBH-INIZCTEOSA-N 1 0 387.293 2.998 20 0 GFADRO CSc1ccc(NC(=O)C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)cc1Cl ZINC000176856674 552147362 /nfs/dbraw/zinc/14/73/62/552147362.db2.gz YVRDGONYPLBQHI-CYBMUJFWSA-N 1 0 381.929 2.945 20 0 GFADRO CN(C)S(=O)(=O)c1ccc(OCC[N@@H+]2CCS[C@H]3CCCC[C@@H]32)cc1 ZINC000177194131 552151188 /nfs/dbraw/zinc/15/11/88/552151188.db2.gz FAFLOPACUYNLHC-ROUUACIJSA-N 1 0 384.567 2.676 20 0 GFADRO Cc1c(Br)cccc1NC(=O)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000178029273 552162656 /nfs/dbraw/zinc/16/26/56/552162656.db2.gz NPUCBULRPBUZKE-STQMWFEESA-N 1 0 382.302 2.685 20 0 GFADRO Cc1ccc(Br)c(C(=O)N2CC[NH+](CC3CCOCC3)CC2)c1 ZINC000178299317 552168581 /nfs/dbraw/zinc/16/85/81/552168581.db2.gz XQUPZRHIWWLTON-UHFFFAOYSA-N 1 0 381.314 2.942 20 0 GFADRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(S(=O)(=O)N3CCOCC3)cc2)s1 ZINC000178346731 552169575 /nfs/dbraw/zinc/16/95/75/552169575.db2.gz UVTRHFFYHWECEY-OAHLLOKOSA-N 1 0 380.535 2.928 20 0 GFADRO CC(=O)N[C@H](CC(=O)N1CCC([C@H](C)[NH3+])CC1)c1ccc(Br)cc1 ZINC000178858907 552177647 /nfs/dbraw/zinc/17/76/47/552177647.db2.gz ITOIXTFYCGWMBP-YVEFUNNKSA-N 1 0 396.329 2.602 20 0 GFADRO Cc1cc(S(=O)(=O)N2CCC([C@@H](C)[NH3+])CC2)c(C)cc1Br ZINC000178923206 552179245 /nfs/dbraw/zinc/17/92/45/552179245.db2.gz FAXYNWOERQPLML-GFCCVEGCSA-N 1 0 375.332 2.814 20 0 GFADRO CCCN(C(=O)C[C@H](NC(C)=O)c1ccc(Br)cc1)[C@@H]1CC[NH2+]C1 ZINC000178925673 552179368 /nfs/dbraw/zinc/17/93/68/552179368.db2.gz VWJZQELBMMHLLH-SJORKVTESA-N 1 0 396.329 2.617 20 0 GFADRO C[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCCN2C(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000179013870 552182203 /nfs/dbraw/zinc/18/22/03/552182203.db2.gz KPONXXYPYBRZSI-WBMJQRKESA-N 1 0 384.307 2.666 20 0 GFADRO OCC1([NH2+]Cc2nnnn2-c2ccc(Cl)cc2C(F)(F)F)CCCC1 ZINC000179067921 552183235 /nfs/dbraw/zinc/18/32/35/552183235.db2.gz QOYSZFSGTRATON-UHFFFAOYSA-N 1 0 375.782 2.729 20 0 GFADRO Cc1cc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)c(C)s1 ZINC000179372984 552191184 /nfs/dbraw/zinc/19/11/84/552191184.db2.gz XAJVQTQGMDGGMN-RYUDHWBXSA-N 1 0 381.523 2.690 20 0 GFADRO CCCN(C(=O)[C@@H](C)[NH2+][C@@H](C)c1cc(C)sc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000179374538 552191412 /nfs/dbraw/zinc/19/14/12/552191412.db2.gz NCOPPNRAMVEKMX-SQWLQELKSA-N 1 0 386.583 2.830 20 0 GFADRO Cc1nc(S(=O)(=O)N(CC[NH+](C)C)C2CCCC2)sc1Br ZINC000180108200 552213117 /nfs/dbraw/zinc/21/31/17/552213117.db2.gz SZZCVYFHVWMEKU-UHFFFAOYSA-N 1 0 396.376 2.709 20 0 GFADRO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)c1ccncc1Br ZINC000180210695 552217944 /nfs/dbraw/zinc/21/79/44/552217944.db2.gz OZPZXAGEJFCHHX-UHFFFAOYSA-N 1 0 375.270 2.886 20 0 GFADRO COCC[C@@](C)(O)C[NH2+]C1CCN(Cc2ccccc2Br)CC1 ZINC000180261576 552219692 /nfs/dbraw/zinc/21/96/92/552219692.db2.gz UDSQJBYAWBTTPE-GOSISDBHSA-N 1 0 385.346 2.791 20 0 GFADRO Cc1ccc(NC(=O)C(=O)N2CCC([NH2+]C(C)C)CC2)cc1Br ZINC000180353261 552223550 /nfs/dbraw/zinc/22/35/50/552223550.db2.gz XCPQLEMKPGFDBG-UHFFFAOYSA-N 1 0 382.302 2.685 20 0 GFADRO CC(C)[NH2+]C1CCN(C(=O)C(=O)Nc2cc(Br)ccc2F)CC1 ZINC000180362206 552224038 /nfs/dbraw/zinc/22/40/38/552224038.db2.gz ZLZIXJQUOIQYIT-UHFFFAOYSA-N 1 0 386.265 2.516 20 0 GFADRO C[C@H](Cn1cc(Br)cn1)[NH2+]CC1(N2CCCCC2)CCOCC1 ZINC000180739107 552234368 /nfs/dbraw/zinc/23/43/68/552234368.db2.gz KIMREYPJJFMOCT-OAHLLOKOSA-N 1 0 385.350 2.659 20 0 GFADRO C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]CCS(=O)(=O)C(C)(C)C ZINC000180806249 552236466 /nfs/dbraw/zinc/23/64/66/552236466.db2.gz XAJAIGSROYLPRO-AWEZNQCLSA-N 1 0 388.961 2.880 20 0 GFADRO CCS(=O)(=O)C[C@@H](C)[NH2+][C@H](C)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000180826679 552237008 /nfs/dbraw/zinc/23/70/08/552237008.db2.gz IUOJRUOETMAJOU-HUUCEWRRSA-N 1 0 387.567 2.877 20 0 GFADRO COc1ccc(C(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)nc1Br ZINC000181078770 552245808 /nfs/dbraw/zinc/24/58/08/552245808.db2.gz QFAMYWSBXVDWDK-ZDUSSCGKSA-N 1 0 382.302 2.943 20 0 GFADRO COC(=O)C1CCN(C(=O)[C@H](C)[NH2+][C@H](C)c2ccc(Br)cc2)CC1 ZINC000181108526 552246832 /nfs/dbraw/zinc/24/68/32/552246832.db2.gz WPPPOEWUQKWRCF-OLZOCXBDSA-N 1 0 397.313 2.900 20 0 GFADRO CC(C)CS(=O)(=O)N1CCC([NH2+]Cc2ccc(OC(F)F)cc2)CC1 ZINC000181111736 552247107 /nfs/dbraw/zinc/24/71/07/552247107.db2.gz QMUVMCMHPNGHBJ-UHFFFAOYSA-N 1 0 376.469 2.828 20 0 GFADRO C[C@H]([NH2+]CCN1C(=O)NC2(CCCC2)C1=O)c1ccc(Br)cc1 ZINC000181122789 552247662 /nfs/dbraw/zinc/24/76/62/552247662.db2.gz PCIMDNTYYSDWGF-LBPRGKRZSA-N 1 0 380.286 2.964 20 0 GFADRO Cc1nc(Cc2ccccc2)sc1[C@@H](C)[NH2+]CCOCCS(C)(=O)=O ZINC000181148068 552248591 /nfs/dbraw/zinc/24/85/91/552248591.db2.gz PELSZGAYBPCISD-CQSZACIVSA-N 1 0 382.551 2.754 20 0 GFADRO Cc1nc(Br)ccc1NC(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000181303118 552253083 /nfs/dbraw/zinc/25/30/83/552253083.db2.gz QNMDDTCEYMOYRB-AWEZNQCLSA-N 1 0 397.317 2.729 20 0 GFADRO CS(=O)(=O)[C@@H]1CCCC[C@@H]1[NH2+]CCNc1cccc(Br)c1 ZINC000181357383 552253955 /nfs/dbraw/zinc/25/39/55/552253955.db2.gz PWZGNRYERISHIR-LSDHHAIUSA-N 1 0 375.332 2.806 20 0 GFADRO C[C@@H]([NH2+]CCN(C)S(=O)(=O)c1cccs1)c1ccc(F)cc1N(C)C ZINC000181502108 552258088 /nfs/dbraw/zinc/25/80/88/552258088.db2.gz OVGFPQBUJUPQDZ-CYBMUJFWSA-N 1 0 385.530 2.925 20 0 GFADRO COc1ccc([C@@H](C)[NH2+]CCN(C)S(=O)(=O)c2cccs2)cc1OC ZINC000181499407 552258447 /nfs/dbraw/zinc/25/84/47/552258447.db2.gz CREWHRMIULGIAS-CYBMUJFWSA-N 1 0 384.523 2.737 20 0 GFADRO CC[C@H]([NH2+]C[C@H]1CCN(S(C)(=O)=O)C1)c1cccc(Br)c1 ZINC000181683230 552265497 /nfs/dbraw/zinc/26/54/97/552265497.db2.gz LJFIRYPKXPYGAP-DOMZBBRYSA-N 1 0 375.332 2.771 20 0 GFADRO COc1cc(Br)ccc1CCCN1CC[NH+](CC(C)(C)O)CC1 ZINC000181723802 552266470 /nfs/dbraw/zinc/26/64/70/552266470.db2.gz FIXWIXUTCAVAMB-UHFFFAOYSA-N 1 0 385.346 2.779 20 0 GFADRO NC(=O)C[C@@H]([NH2+]Cc1cc(Br)cc2cccnc21)C1CCOCC1 ZINC000181967918 552271536 /nfs/dbraw/zinc/27/15/36/552271536.db2.gz DGZBGZLDXTUQBQ-MRXNPFEDSA-N 1 0 392.297 2.758 20 0 GFADRO COc1cc(Br)ccc1CCC[NH2+][C@@H](CC(N)=O)C1CCOCC1 ZINC000181963334 552271760 /nfs/dbraw/zinc/27/17/60/552271760.db2.gz CKBPWKMCORPLHT-INIZCTEOSA-N 1 0 399.329 2.651 20 0 GFADRO O=S(=O)(c1ccc(C(F)(F)F)nc1)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000181981509 552271989 /nfs/dbraw/zinc/27/19/89/552271989.db2.gz HQSAKKHQBYOVEI-CYBMUJFWSA-N 1 0 377.432 2.739 20 0 GFADRO CC(=O)Nc1ccc([C@@H](C)[NH2+]CCNS(=O)(=O)c2ccc(C)s2)cc1 ZINC000182159404 552277000 /nfs/dbraw/zinc/27/70/00/552277000.db2.gz FECYPWDMSMQUTG-CYBMUJFWSA-N 1 0 381.523 2.644 20 0 GFADRO C[C@H](CS(C)(=O)=O)[NH2+]C[C@H](c1ccccc1)N1CCc2sccc2C1 ZINC000182451605 552284356 /nfs/dbraw/zinc/28/43/56/552284356.db2.gz WYWLWZGHGXTCFG-CRAIPNDOSA-N 1 0 378.563 2.870 20 0 GFADRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)NCCOc2ccc(Br)cc2)C1 ZINC000182505753 552285999 /nfs/dbraw/zinc/28/59/99/552285999.db2.gz YTAGIDWYBBRTFA-RHSMWYFYSA-N 1 0 396.329 2.954 20 0 GFADRO CC[C@@H]([NH2+][C@H](C)C(=O)N(CC)[C@@H]1CCS(=O)(=O)C1)c1cccc(Cl)c1 ZINC000182589130 552288093 /nfs/dbraw/zinc/28/80/93/552288093.db2.gz PCUDOVWQMMVVGC-KBRIMQKVSA-N 1 0 386.945 2.805 20 0 GFADRO COC(=O)c1cc(NC(=O)NC2CC[NH+](C3CC3)CC2)ccc1Br ZINC000182597116 552288285 /nfs/dbraw/zinc/28/82/85/552288285.db2.gz YITCOWYVRYITRF-UHFFFAOYSA-N 1 0 396.285 2.984 20 0 GFADRO Cc1cc(NC(=O)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)cnc1Br ZINC000182761438 552292871 /nfs/dbraw/zinc/29/28/71/552292871.db2.gz RRSCRLAPFZYITB-ZDUSSCGKSA-N 1 0 399.333 2.574 20 0 GFADRO Cc1cc(NC(=O)C(=O)NCCC[NH+](C(C)C)C(C)C)cnc1Br ZINC000182808783 552293278 /nfs/dbraw/zinc/29/32/78/552293278.db2.gz MEVDHKYBMZOFRQ-UHFFFAOYSA-N 1 0 399.333 2.716 20 0 GFADRO COc1ccc(Br)c(C(=O)NCCC[NH2+][C@H](C)c2nccn2C)c1 ZINC000182926259 552296325 /nfs/dbraw/zinc/29/63/25/552296325.db2.gz DXZDZARTYUYVPQ-GFCCVEGCSA-N 1 0 395.301 2.662 20 0 GFADRO CCNS(=O)(=O)[C@@H]1CC[N@H+](CCSc2ccnc3cc(Cl)ccc32)C1 ZINC000183015809 552298602 /nfs/dbraw/zinc/29/86/02/552298602.db2.gz YYPRZIBMAVFYGU-CQSZACIVSA-N 1 0 399.969 2.994 20 0 GFADRO C[NH+](C)CCOc1cc(C(=O)NCc2cc(F)cc(Br)c2)ccn1 ZINC000183118512 552301055 /nfs/dbraw/zinc/30/10/55/552301055.db2.gz LVFGPWOHSZMWGT-UHFFFAOYSA-N 1 0 396.260 2.854 20 0 GFADRO CS(=O)(=O)[C@@H]1CCCC[C@@H]1[NH2+]CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000183235170 552303817 /nfs/dbraw/zinc/30/38/17/552303817.db2.gz GFWDTFFHSNAOJB-LSDHHAIUSA-N 1 0 383.901 2.878 20 0 GFADRO COc1ccc(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)nc1Br ZINC000183298183 552304924 /nfs/dbraw/zinc/30/49/24/552304924.db2.gz NKZPCKJYPUOOTL-DOMZBBRYSA-N 1 0 394.313 2.942 20 0 GFADRO C[NH+](C)CCOc1cc(C(=O)Nc2nc(-c3cccs3)ns2)ccn1 ZINC000183355646 552306828 /nfs/dbraw/zinc/30/68/28/552306828.db2.gz FFJVUUWPTIDBKV-UHFFFAOYSA-N 1 0 375.479 2.854 20 0 GFADRO COCC[N@@H+]1CCC[C@@H]1CNCc1cn(-c2ccc(Cl)c(Cl)c2)nn1 ZINC000183719851 552317529 /nfs/dbraw/zinc/31/75/29/552317529.db2.gz OYVOKHPNSVILAS-OAHLLOKOSA-N 1 0 384.311 2.775 20 0 GFADRO COc1ccccc1N1CC[C@H]([NH2+]Cc2cncc(Br)c2)C1=O ZINC000183731835 552317763 /nfs/dbraw/zinc/31/77/63/552317763.db2.gz JPZVIPGBVSZWQE-AWEZNQCLSA-N 1 0 376.254 2.748 20 0 GFADRO OC[C@@H]([NH2+]C[C@@H](O)COCc1ccccc1F)c1cccc(Br)c1 ZINC000183899914 552321873 /nfs/dbraw/zinc/32/18/73/552321873.db2.gz ZSVNYZFSDPHRRG-SJLPKXTDSA-N 1 0 398.272 2.789 20 0 GFADRO COCCN(CC[NH+](C)C)C(=O)Nc1nc(-c2ccccc2Cl)ns1 ZINC000184366368 552333527 /nfs/dbraw/zinc/33/35/27/552333527.db2.gz GHDNAONXZNEIDF-UHFFFAOYSA-N 1 0 383.905 2.900 20 0 GFADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)[C@H](C)Oc1cc(Cl)cc(Cl)c1 ZINC000184363071 552333541 /nfs/dbraw/zinc/33/35/41/552333541.db2.gz AVXABRVPMRVGSC-KBPBESRZSA-N 1 0 388.339 2.903 20 0 GFADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)[C@H](C)Oc1ccc(Cl)c(Cl)c1 ZINC000184406493 552335395 /nfs/dbraw/zinc/33/53/95/552335395.db2.gz MJVGMZPZASLOBI-KGLIPLIRSA-N 1 0 388.339 2.903 20 0 GFADRO CCc1nn(C)cc1C[NH2+][C@@H]1CCN(c2ccc(Br)c(C)c2)C1=O ZINC000184920467 552348446 /nfs/dbraw/zinc/34/84/46/552348446.db2.gz JKMVKEDBJMDJPY-QGZVFWFLSA-N 1 0 391.313 2.949 20 0 GFADRO CN(CC[N@H+](C)C1CC1)S(=O)(=O)c1ccc(Br)c(Cl)c1 ZINC000185225716 552357440 /nfs/dbraw/zinc/35/74/40/552357440.db2.gz AJESVAFEFTWQJA-UHFFFAOYSA-N 1 0 381.723 2.817 20 0 GFADRO Cn1c2ccc(C(F)(F)F)cc2nc1C[NH2+]CCCCCS(C)(=O)=O ZINC000185209149 552357687 /nfs/dbraw/zinc/35/76/87/552357687.db2.gz OUVGPPJZTVDKSB-UHFFFAOYSA-N 1 0 377.432 2.897 20 0 GFADRO C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)c1cc(-c2ccc(Cl)s2)on1 ZINC000185310795 552360899 /nfs/dbraw/zinc/36/08/99/552360899.db2.gz GPGWQDYADLTCJA-LBPRGKRZSA-N 1 0 382.917 2.812 20 0 GFADRO CC(C)NC(=O)CC[NH2+]Cc1cc(Br)cc(Br)c1N ZINC000185782657 552370135 /nfs/dbraw/zinc/37/01/35/552370135.db2.gz KIHKHMFTJWHOTB-UHFFFAOYSA-N 1 0 393.123 2.798 20 0 GFADRO CC[C@H](CO)[NH+]1CCN(C(=O)CCc2ccc(C)cc2Br)CC1 ZINC000185872361 552372865 /nfs/dbraw/zinc/37/28/65/552372865.db2.gz ASXJVSFDBJWQBL-MRXNPFEDSA-N 1 0 383.330 2.605 20 0 GFADRO NC(=O)[C@H](Cc1ccc(Cl)cc1)[NH2+]CC1(N2CCSCC2)CCCC1 ZINC000185890096 552373491 /nfs/dbraw/zinc/37/34/91/552373491.db2.gz YRAJFFLOWCRNTJ-KRWDZBQOSA-N 1 0 381.973 2.688 20 0 GFADRO COc1cc(Br)cc(S(=O)(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)c1 ZINC000185907471 552373782 /nfs/dbraw/zinc/37/37/82/552373782.db2.gz RMZWHWMCHSJAGT-OLZOCXBDSA-N 1 0 391.331 2.609 20 0 GFADRO C[NH+](C)CC(C)(C)CNC(=O)c1ncc(Br)cc1Br ZINC000186391912 552387139 /nfs/dbraw/zinc/38/71/39/552387139.db2.gz YLBWKVRUWVEAHB-UHFFFAOYSA-N 1 0 393.123 2.924 20 0 GFADRO C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)[NH+]1CCC(C)(CO)CC1 ZINC000186935318 552402040 /nfs/dbraw/zinc/40/20/40/552402040.db2.gz JGHLRSKODYKRJT-AWEZNQCLSA-N 1 0 383.330 2.890 20 0 GFADRO COc1c(Br)cccc1C[NH2+]CCC(=O)NCc1cccnc1 ZINC000187167475 552408217 /nfs/dbraw/zinc/40/82/17/552408217.db2.gz LKRGLCWSSAFXKH-UHFFFAOYSA-N 1 0 378.270 2.649 20 0 GFADRO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1cc(F)c(Br)cc1C ZINC000187169746 552408325 /nfs/dbraw/zinc/40/83/25/552408325.db2.gz YCEMSSDFCXQTNJ-LLVKDONJSA-N 1 0 388.281 2.682 20 0 GFADRO [NH3+]Cc1cc(C(=O)N2CCN(C(=O)c3cccc(Cl)c3Cl)CC2)co1 ZINC000187374273 552413734 /nfs/dbraw/zinc/41/37/34/552413734.db2.gz YGRSCSYOFCKXCR-UHFFFAOYSA-N 1 0 382.247 2.643 20 0 GFADRO COCC[C@](C)(O)C[NH2+]Cc1cc(Br)cc(Br)c1N ZINC000187366600 552413908 /nfs/dbraw/zinc/41/39/08/552413908.db2.gz FCHRJLPJVHTRDS-ZDUSSCGKSA-N 1 0 396.123 2.671 20 0 GFADRO [NH3+]Cc1cc(C(=O)NCC2(c3cccc(Br)c3)CCOCC2)co1 ZINC000187455582 552415953 /nfs/dbraw/zinc/41/59/53/552415953.db2.gz UFVICECNBWDWGL-UHFFFAOYSA-N 1 0 393.281 2.979 20 0 GFADRO Cc1ccc(Br)cc1CNC(=O)N(C)CCCN1CC[NH+](C)CC1 ZINC000187673768 552421292 /nfs/dbraw/zinc/42/12/92/552421292.db2.gz KZOMIPQESVQXCH-UHFFFAOYSA-N 1 0 397.361 2.536 20 0 GFADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)Cc2ccc(C)c(Br)c2)CC1 ZINC000187936799 552428086 /nfs/dbraw/zinc/42/80/86/552428086.db2.gz LZJKVGLZKKCIOJ-HNNXBMFYSA-N 1 0 396.373 2.690 20 0 GFADRO Cc1ccc(CC(=O)NC[C@H](C(C)C)[NH+]2CCN(C)CC2)cc1Br ZINC000187922797 552428213 /nfs/dbraw/zinc/42/82/13/552428213.db2.gz QKKSVLMUNFOFOQ-GOSISDBHSA-N 1 0 396.373 2.688 20 0 GFADRO CCN(CC)S(=O)(=O)c1ccc(CC[NH2+][C@H](C)c2nccnc2C)s1 ZINC000187951954 552429111 /nfs/dbraw/zinc/42/91/11/552429111.db2.gz GHCHNJBYRWBAKS-CYBMUJFWSA-N 1 0 382.555 2.770 20 0 GFADRO Cc1cc(Br)cc(NC(=O)C(=O)NCC[NH+]2CCCCCC2)c1 ZINC000188058557 552432823 /nfs/dbraw/zinc/43/28/23/552432823.db2.gz VGUYHVGBMSUCSU-UHFFFAOYSA-N 1 0 382.302 2.688 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)NCC[N@H+]2CCC[C@H](C)C2)cc1Br ZINC000188058447 552432917 /nfs/dbraw/zinc/43/29/17/552432917.db2.gz JHSWNUBDFRKBJD-LBPRGKRZSA-N 1 0 396.329 2.853 20 0 GFADRO Cc1cc(F)c(Br)cc1NC(=O)C(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000188049894 552433047 /nfs/dbraw/zinc/43/30/47/552433047.db2.gz HMAMUTDGTVBNNR-NWDGAFQWSA-N 1 0 398.276 2.530 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)NC[C@H](C)C[NH+]2CCCC2)cc1Br ZINC000188072853 552433592 /nfs/dbraw/zinc/43/35/92/552433592.db2.gz FYKBAVKPZILQTK-LBPRGKRZSA-N 1 0 396.329 2.853 20 0 GFADRO O=C(N1CC[NH+](C[C@H]2CCOC2)CC1)C1(c2ccccc2Br)CC1 ZINC000188100104 552435293 /nfs/dbraw/zinc/43/52/93/552435293.db2.gz DDOJYCGZHFIOGV-OAHLLOKOSA-N 1 0 393.325 2.661 20 0 GFADRO C[C@H](Cc1ccc(Br)cc1)[NH2+]CC1CCN(S(C)(=O)=O)CC1 ZINC000188165092 552437629 /nfs/dbraw/zinc/43/76/29/552437629.db2.gz VSRCJIOFGHRKDG-CYBMUJFWSA-N 1 0 389.359 2.641 20 0 GFADRO CCNC(=O)NC(=O)C[NH2+][C@@H](CC1CC1)c1cc(F)cc(Br)c1 ZINC000188184630 552438210 /nfs/dbraw/zinc/43/82/10/552438210.db2.gz WHOSYVWOMUQVCU-AWEZNQCLSA-N 1 0 386.265 2.865 20 0 GFADRO O=C(C[NH2+][C@H](CC1CC1)c1cc(F)cc(Br)c1)N1CCOCC1 ZINC000188193734 552438628 /nfs/dbraw/zinc/43/86/28/552438628.db2.gz FHUGGJHPXSSLMM-MRXNPFEDSA-N 1 0 385.277 2.878 20 0 GFADRO CNC(=O)NC(=O)CC[NH+]1CCC(c2ccc(Br)c(C)c2)CC1 ZINC000188193920 552438732 /nfs/dbraw/zinc/43/87/32/552438732.db2.gz PTIOATTYRDUSHR-UHFFFAOYSA-N 1 0 382.302 2.783 20 0 GFADRO CCN(CCC[NH+]1CCCC1)S(=O)(=O)c1ccc(C(=O)OC)c(Cl)c1 ZINC000188253367 552440354 /nfs/dbraw/zinc/44/03/54/552440354.db2.gz RKBPMBJEQIFRGY-UHFFFAOYSA-N 1 0 388.917 2.623 20 0 GFADRO C[C@H](Cc1ccc(Br)cc1)[NH2+][C@H]1CCN(c2cnn(C)c2)C1=O ZINC000188285763 552441247 /nfs/dbraw/zinc/44/12/47/552441247.db2.gz GWCSQAGRSJXQJP-WBMJQRKESA-N 1 0 377.286 2.509 20 0 GFADRO COCc1nc2n(n1)C[C@@H]([NH2+][C@H](C)Cc1ccc(Br)cc1)CC2 ZINC000188306282 552441755 /nfs/dbraw/zinc/44/17/55/552441755.db2.gz NMQLZDYAWPYGRP-DOMZBBRYSA-N 1 0 379.302 2.723 20 0 GFADRO Cc1cc(N2CC[C@@H]([NH2+][C@@H](C)Cc3ccc(Br)cc3)C2=O)n(C)n1 ZINC000188298742 552441802 /nfs/dbraw/zinc/44/18/02/552441802.db2.gz DJECJVCXVXJBKS-BLLLJJGKSA-N 1 0 391.313 2.817 20 0 GFADRO Nc1cc(Br)ccc1C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000188385649 552443816 /nfs/dbraw/zinc/44/38/16/552443816.db2.gz QCPKVGZSGZRWAH-UHFFFAOYSA-N 1 0 389.297 2.821 20 0 GFADRO C[C@H]1CN(C(=O)COc2ccc(Cl)cc2Cl)CC[N@@H+]1CC(C)(C)O ZINC000188643764 552450815 /nfs/dbraw/zinc/45/08/15/552450815.db2.gz BOBDQMCAGKJTFK-LBPRGKRZSA-N 1 0 375.296 2.676 20 0 GFADRO CC(C)n1cc(Br)cc1C(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000188701512 552452522 /nfs/dbraw/zinc/45/25/22/552452522.db2.gz FMQJFSXVIFBVMH-ZDUSSCGKSA-N 1 0 386.334 2.749 20 0 GFADRO C[C@H]1CN(C(=O)C2(c3ccc(Br)cc3)CC2)CC[N@@H+]1CC(C)(C)O ZINC000188709654 552453173 /nfs/dbraw/zinc/45/31/73/552453173.db2.gz QBAIZTIVAHJXRN-AWEZNQCLSA-N 1 0 395.341 2.784 20 0 GFADRO O=C(c1nn(-c2ccc(F)cc2)cc1Br)N1CC[NH+]2CCC1CC2 ZINC000188853612 552456984 /nfs/dbraw/zinc/45/69/84/552456984.db2.gz LTDBHWXMPFQQSR-UHFFFAOYSA-N 1 0 393.260 2.694 20 0 GFADRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NS(=O)(=O)c1ccccc1Br ZINC000189151863 552464510 /nfs/dbraw/zinc/46/45/10/552464510.db2.gz KFEDMEDYBJMXHT-QWHCGFSZSA-N 1 0 375.332 2.848 20 0 GFADRO C[NH+](C)CCOc1ccc(CNC(=O)c2ncc(Br)s2)cc1 ZINC000189153797 552464573 /nfs/dbraw/zinc/46/45/73/552464573.db2.gz HHGPGVUOBPSCJB-UHFFFAOYSA-N 1 0 384.299 2.776 20 0 GFADRO O=C(C1CC1)N1CCCN(C[C@@H](O)c2ccc(F)c(Br)c2)CC1 ZINC000189275406 552467557 /nfs/dbraw/zinc/46/75/57/552467557.db2.gz NOYPEWOZOOWGGI-MRXNPFEDSA-N 1 0 385.277 2.566 20 0 GFADRO CC[N@H+](C[C@@H](O)COc1ccc(Cl)cc1Cl)C[C@H](O)C(F)(F)F ZINC000189438342 552471347 /nfs/dbraw/zinc/47/13/47/552471347.db2.gz OOXWFUYUIPYISA-MFKMUULPSA-N 1 0 376.202 2.978 20 0 GFADRO COCCO[C@H]1CC[N@@H+]([C@H](C)C(=O)N(C)Cc2ccc(Br)cc2)C1 ZINC000189697329 552477570 /nfs/dbraw/zinc/47/75/70/552477570.db2.gz BJTMRUUMPMNECT-PBHICJAKSA-N 1 0 399.329 2.533 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(Cl)c(S(C)(=O)=O)c2)[C@H](C)C1 ZINC000189894871 552482017 /nfs/dbraw/zinc/48/20/17/552482017.db2.gz SYANLRWJNZXIDC-IUODEOHRSA-N 1 0 387.933 2.938 20 0 GFADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc(Cl)c(S(C)(=O)=O)c2)C1 ZINC000189905297 552482641 /nfs/dbraw/zinc/48/26/41/552482641.db2.gz XWGPNTOJGVJUML-ZDUSSCGKSA-N 1 0 387.933 2.939 20 0 GFADRO C[C@@H]1CN(CCC(=O)Nc2ccc(Br)cc2)CC[N@@H+]1CC(C)(C)O ZINC000189902832 552482765 /nfs/dbraw/zinc/48/27/65/552482765.db2.gz KOPCBVCODPJDMK-CQSZACIVSA-N 1 0 398.345 2.555 20 0 GFADRO CC(C)[N@H+](C)CCNC(=O)C(=O)Nc1cccnc1-c1ccc(Cl)s1 ZINC000189968063 552483883 /nfs/dbraw/zinc/48/38/83/552483883.db2.gz QDONXAZZSQPTPA-UHFFFAOYSA-N 1 0 380.901 2.858 20 0 GFADRO COc1cc(Br)ccc1[C@H](C)[NH2+][C@H](C)C(=O)NC(=O)NC(C)C ZINC000189977542 552484409 /nfs/dbraw/zinc/48/44/09/552484409.db2.gz QIXIFRPNUJJVDZ-WDEREUQCSA-N 1 0 386.290 2.731 20 0 GFADRO CCc1cnc(NC(=O)C(=O)NC[C@@H](c2ccsc2)[NH+](CC)CC)s1 ZINC000190308347 552492367 /nfs/dbraw/zinc/49/23/67/552492367.db2.gz JQFNNJSNRBJIME-AWEZNQCLSA-N 1 0 380.539 2.905 20 0 GFADRO CC1CC[NH+](CCNC(=O)C(=O)Nc2cc(Cl)c(F)c(Cl)c2)CC1 ZINC000190310519 552492455 /nfs/dbraw/zinc/49/24/55/552492455.db2.gz VLZQLCHHGBANLJ-UHFFFAOYSA-N 1 0 376.259 2.919 20 0 GFADRO CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2cc(C)c(Br)c(C)c2)C1 ZINC000190408134 552495085 /nfs/dbraw/zinc/49/50/85/552495085.db2.gz BIFYCDXEPHBUKG-AWEZNQCLSA-N 1 0 396.329 2.853 20 0 GFADRO CCS(=O)(=O)N1CC(C[NH2+][C@@H]2C[C@H](C)c3c2cccc3Br)C1 ZINC000190693562 552506413 /nfs/dbraw/zinc/50/64/13/552506413.db2.gz MZZMUKKKIJRKOW-XHDPSFHLSA-N 1 0 387.343 2.869 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1Br ZINC000190871425 552511517 /nfs/dbraw/zinc/51/15/17/552511517.db2.gz AVRONSPSVHPBGL-KGLIPLIRSA-N 1 0 396.329 2.946 20 0 GFADRO C[N@H+](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)C1(CO)CCOCC1 ZINC000191020748 552516862 /nfs/dbraw/zinc/51/68/62/552516862.db2.gz FRGYZZPCIUDLQR-UHFFFAOYSA-N 1 0 380.794 2.771 20 0 GFADRO CC[NH+](CC)CCCNC(=O)C(=O)Nc1cc(F)cc(F)c1Br ZINC000191120335 552519261 /nfs/dbraw/zinc/51/92/61/552519261.db2.gz DSQUYAKGFBUKBX-UHFFFAOYSA-N 1 0 392.244 2.514 20 0 GFADRO C[C@H](CNC(=O)c1nc(Br)ccc1Br)[N@H+](C)C1CC1 ZINC000191149975 552520344 /nfs/dbraw/zinc/52/03/44/552520344.db2.gz PHLXFSGAWJNKDL-MRVPVSSYSA-N 1 0 391.107 2.819 20 0 GFADRO C[C@H]1CC(O)C[C@H](C)[NH+]1CC(=O)N(C)Cc1cc(Br)cs1 ZINC000191197825 552521172 /nfs/dbraw/zinc/52/11/72/552521172.db2.gz LFCYHVKVSZUMED-QWRGUYRKSA-N 1 0 375.332 2.703 20 0 GFADRO C[NH+](C)CC(C)(C)CNC(=O)c1nc(Br)ccc1Br ZINC000191280897 552523596 /nfs/dbraw/zinc/52/35/96/552523596.db2.gz FSGYOVDZWJKKLD-UHFFFAOYSA-N 1 0 393.123 2.924 20 0 GFADRO O=S(=O)(Cc1ccc(Cl)cc1Br)NCC[NH+]1CCCC1 ZINC000191856996 552540101 /nfs/dbraw/zinc/54/01/01/552540101.db2.gz SEHZIYZFKAOTLZ-UHFFFAOYSA-N 1 0 381.723 2.618 20 0 GFADRO COC(=O)c1scc(C)c1S(=O)(=O)NC[C@H](C1CCCCC1)[NH+](C)C ZINC000191885317 552541186 /nfs/dbraw/zinc/54/11/86/552541186.db2.gz JQDZVZAADFTTRJ-CQSZACIVSA-N 1 0 388.555 2.632 20 0 GFADRO C[N@H+](CCCn1ccnc1)[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000192075436 552549747 /nfs/dbraw/zinc/54/97/47/552549747.db2.gz WCSBMVFCVREBSB-INIZCTEOSA-N 1 0 377.286 2.773 20 0 GFADRO CCOc1cc(C[N@@H+]2CCS[C@H](C)CC2)nc2nc(C(F)(F)F)nn21 ZINC000192187165 552555344 /nfs/dbraw/zinc/55/53/44/552555344.db2.gz WCUYQDCBPNGALN-SNVBAGLBSA-N 1 0 375.420 2.869 20 0 GFADRO COC(=O)CC[N@H+](CCC(=O)NC(C)C)Cc1cccc(Br)c1 ZINC000192329071 552560522 /nfs/dbraw/zinc/56/05/22/552560522.db2.gz JOZCXKUHMPKYQM-UHFFFAOYSA-N 1 0 385.302 2.729 20 0 GFADRO Fc1cccc(Br)c1C[NH2+]C[C@]1(N2CCOCC2)CCSC1 ZINC000192497641 552565442 /nfs/dbraw/zinc/56/54/42/552565442.db2.gz RGBMGRPQJZMMNW-MRXNPFEDSA-N 1 0 389.334 2.886 20 0 GFADRO C[NH+](C)C1(CNC(=O)c2cc(I)ccc2Cl)CC1 ZINC000416309998 563815087 /nfs/dbraw/zinc/81/50/87/563815087.db2.gz XRTAFSNWFDLESG-UHFFFAOYSA-N 1 0 378.641 2.769 20 0 GFADRO C[NH+](C)CCCNC(=O)c1ccc(NC(=O)c2ccc(Br)o2)cc1 ZINC000192667625 552971311 /nfs/dbraw/zinc/97/13/11/552971311.db2.gz MAJCJZPGZKBJSW-UHFFFAOYSA-N 1 0 394.269 2.976 20 0 GFADRO COc1ccc(Cl)cc1S(=O)(=O)N1CCN(c2cc[nH+]cc2C)CC1 ZINC000192696500 552971685 /nfs/dbraw/zinc/97/16/85/552971685.db2.gz YGRLURNYXDUEIQ-UHFFFAOYSA-N 1 0 381.885 2.563 20 0 GFADRO Cc1cc(NC(=O)C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)ncc1Br ZINC000192802330 552973883 /nfs/dbraw/zinc/97/38/83/552973883.db2.gz CFOVUCCLJPRCCI-UHFFFAOYSA-N 1 0 397.317 2.516 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)NCCC[NH+]1CCCCC1 ZINC000192844311 552975847 /nfs/dbraw/zinc/97/58/47/552975847.db2.gz JEECMMAZKHKUBV-UHFFFAOYSA-N 1 0 396.329 2.997 20 0 GFADRO CN(C)CCN(c1ccccc1)S(=O)(=O)c1c(F)c(F)cc(F)c1F ZINC000192913738 552977944 /nfs/dbraw/zinc/97/79/44/552977944.db2.gz VNADLRVRWXWARA-UHFFFAOYSA-N 1 0 376.375 3.000 20 0 GFADRO O=C([C@H]1CCC[N@@H+](CCOc2cc(Cl)ccc2Cl)C1)N1CCOCC1 ZINC000193054536 552981965 /nfs/dbraw/zinc/98/19/65/552981965.db2.gz BWUYAPPLAVJLGI-AWEZNQCLSA-N 1 0 387.307 2.943 20 0 GFADRO O=S(=O)(NCC[C@H]1CC[NH2+]C1)c1cc(Cl)c(Br)cc1F ZINC000193265983 552988523 /nfs/dbraw/zinc/98/85/23/552988523.db2.gz MMCVHOILNXRGEI-MRVPVSSYSA-N 1 0 385.686 2.520 20 0 GFADRO CC[N@@H+]1CC[C@@H](CNC(=O)COc2ccc(Br)cc2Cl)C1 ZINC000193547603 552996288 /nfs/dbraw/zinc/99/62/88/552996288.db2.gz NNUDIAHZGSIEEF-NSHDSACASA-N 1 0 375.694 2.939 20 0 GFADRO Cc1cc(NC(=O)c2ncccc2Br)n(-c2cc(C)nc(C)n2)n1 ZINC000193664034 552999281 /nfs/dbraw/zinc/99/92/81/552999281.db2.gz MXPSRTCFWKIWDH-UHFFFAOYSA-N 1 0 387.241 2.997 20 0 GFADRO C[NH+](C)C1CCN(C(=O)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000193732433 553001443 /nfs/dbraw/zinc/00/14/43/553001443.db2.gz FHFBBJWSEGDVNN-UHFFFAOYSA-N 1 0 377.794 2.850 20 0 GFADRO O=C(NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1ccoc1Br ZINC000193898625 553006421 /nfs/dbraw/zinc/00/64/21/553006421.db2.gz WEXNCHUIHOIVTC-CQSZACIVSA-N 1 0 379.254 2.539 20 0 GFADRO O=S(=O)(NC1CC[NH+](CC2CC2)CC1)c1cccc(OC(F)(F)F)c1 ZINC000193908229 553006450 /nfs/dbraw/zinc/00/64/50/553006450.db2.gz XCLYIZXOEGHVRB-UHFFFAOYSA-N 1 0 378.416 2.738 20 0 GFADRO C[C@H](CCc1ccc(C(F)(F)F)cc1)[NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000193996323 553009531 /nfs/dbraw/zinc/00/95/31/553009531.db2.gz UFHXSWJTRXMDBQ-HIFRSBDPSA-N 1 0 378.460 2.898 20 0 GFADRO O[C@H](C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2)COc1ccccc1Br ZINC000194114485 553012012 /nfs/dbraw/zinc/01/20/12/553012012.db2.gz CENJCCMACWOBBZ-BQGCOEIASA-N 1 0 382.298 2.736 20 0 GFADRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)c1ccc(I)c(Cl)c1 ZINC000227356330 553062706 /nfs/dbraw/zinc/06/27/06/553062706.db2.gz CHWXVYKEYDLVAH-DTWKUNHWSA-N 1 0 378.641 2.767 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CNC(=O)C1CC[NH+](C2CC2)CC1 ZINC000195407950 553047930 /nfs/dbraw/zinc/04/79/30/553047930.db2.gz LNEGLVXMYDLLQJ-UHFFFAOYSA-N 1 0 394.313 2.687 20 0 GFADRO Cc1cccc(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1I ZINC000223543541 553056989 /nfs/dbraw/zinc/05/69/89/553056989.db2.gz UASLNGNJYVESAD-CHWSQXEVSA-N 1 0 384.261 2.956 20 0 GFADRO [NH3+]CC1CCN(C(=O)c2ccc(I)c(Cl)c2)CC1 ZINC000226176958 553060797 /nfs/dbraw/zinc/06/07/97/553060797.db2.gz RPGKUXFPKBACIZ-UHFFFAOYSA-N 1 0 378.641 2.756 20 0 GFADRO O=C(NCC1CC[NH2+]CC1)c1cc(Cl)ccc1I ZINC000226179072 553060959 /nfs/dbraw/zinc/06/09/59/553060959.db2.gz JDAJBTKLIPLSBL-UHFFFAOYSA-N 1 0 378.641 2.674 20 0 GFADRO COc1c(Br)cc(Cl)cc1S(=O)(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000226462113 553061365 /nfs/dbraw/zinc/06/13/65/553061365.db2.gz GDUONQCZJTYKNS-SNVBAGLBSA-N 1 0 397.722 2.532 20 0 GFADRO C[N@@H+]1CCC[C@H]2CN(S(=O)(=O)c3ccc(Br)s3)CC[C@H]21 ZINC000227346434 553062898 /nfs/dbraw/zinc/06/28/98/553062898.db2.gz GPQIDCKGAMRXFY-WDEREUQCSA-N 1 0 379.345 2.615 20 0 GFADRO [NH3+][C@@H]1CCC[C@H]2CN(S(=O)(=O)c3ccc(Br)cc3Cl)C[C@@H]21 ZINC000230130036 553064241 /nfs/dbraw/zinc/06/42/41/553064241.db2.gz XKHUCXBRCZRJHG-XHVZSJERSA-N 1 0 393.734 2.850 20 0 GFADRO CC(C)CN(CC[NH+](C)C)C(=O)c1ccc(I)c(O)c1 ZINC000230893915 553065939 /nfs/dbraw/zinc/06/59/39/553065939.db2.gz IPEJAKMJHQVFHA-UHFFFAOYSA-N 1 0 390.265 2.657 20 0 GFADRO [NH3+]CCC1CCN(C(=O)c2ccc(F)cc2I)CC1 ZINC000236162976 553068634 /nfs/dbraw/zinc/06/86/34/553068634.db2.gz GBECCOXKEMTSRJ-UHFFFAOYSA-N 1 0 376.213 2.631 20 0 GFADRO O=C(c1nn(-c2ccc(Br)cc2)c2c1CCCC2)N1CC[NH2+]CC1 ZINC000236629521 553069933 /nfs/dbraw/zinc/06/99/33/553069933.db2.gz BCWNFSQCGMNVDP-UHFFFAOYSA-N 1 0 389.297 2.559 20 0 GFADRO O=C(NCCCN1CC[NH2+]CC1)C1(c2ccc(Br)cc2)CCCC1 ZINC000236675776 553070309 /nfs/dbraw/zinc/07/03/09/553070309.db2.gz HECALCURBAWNNE-UHFFFAOYSA-N 1 0 394.357 2.672 20 0 GFADRO CC(C)[C@](C)(C[NH3+])NC(=O)c1cc(S(=O)(=O)NC(C)(C)C)ccc1Cl ZINC000236670623 553070605 /nfs/dbraw/zinc/07/06/05/553070605.db2.gz RMXKITOIOGIPOB-KRWDZBQOSA-N 1 0 389.949 2.520 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)NC(CC)(CC)C[NH3+] ZINC000236825731 553071470 /nfs/dbraw/zinc/07/14/70/553071470.db2.gz CIXWBNWFNZWFSF-AWEZNQCLSA-N 1 0 386.583 2.985 20 0 GFADRO CC[NH2+]CC1CCN(C(=O)[C@H](C)N2C(=S)N=NC2c2cccs2)CC1 ZINC000236835697 553072420 /nfs/dbraw/zinc/07/24/20/553072420.db2.gz ADELRRITRONVMO-LBPRGKRZSA-N 1 0 379.555 2.704 20 0 GFADRO CC[NH2+]CC1CCN(C(=O)Cc2cccc(I)c2)CC1 ZINC000237015325 553073399 /nfs/dbraw/zinc/07/33/99/553073399.db2.gz QMUJBJWRCDIKJO-UHFFFAOYSA-N 1 0 386.277 2.682 20 0 GFADRO COc1cc(C)c(Br)cc1S(=O)(=O)N1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000237094921 553074312 /nfs/dbraw/zinc/07/43/12/553074312.db2.gz OQTKXHNKLNCWSA-GWCFXTLKSA-N 1 0 391.331 2.514 20 0 GFADRO COc1cc(C(=O)NCC[NH3+])ccc1OCc1ccc(Br)s1 ZINC000237086233 553074373 /nfs/dbraw/zinc/07/43/73/553074373.db2.gz ZAGWGUZWELTUIK-UHFFFAOYSA-N 1 0 385.283 2.787 20 0 GFADRO COCCOc1ccc(C(F)(F)F)cc1NC(=O)C[C@H]1CSCC[NH2+]1 ZINC000237105587 553074794 /nfs/dbraw/zinc/07/47/94/553074794.db2.gz AIQNSQKVOIFIFU-LBPRGKRZSA-N 1 0 378.416 2.764 20 0 GFADRO COC(=O)C[C@@H](NC(=O)[C@@H]1CC12CC[NH2+]CC2)c1ccc(Br)cc1 ZINC000237209756 553076053 /nfs/dbraw/zinc/07/60/53/553076053.db2.gz HXHYZQWKOLBUKO-LSDHHAIUSA-N 1 0 395.297 2.559 20 0 GFADRO Cc1c(C(=O)N[C@H](C)c2ccccc2Br)nnn1C1CC[NH2+]CC1 ZINC000237372612 553077126 /nfs/dbraw/zinc/07/71/26/553077126.db2.gz VWFNIXSAYQIFDM-LLVKDONJSA-N 1 0 392.301 2.765 20 0 GFADRO C[C@H](NC(=O)[C@@H]1CC12CC[NH2+]CC2)c1cc2c(cc1Br)OCCO2 ZINC000237443061 553077689 /nfs/dbraw/zinc/07/76/89/553077689.db2.gz YCODNGKCEJUWNW-AAEUAGOBSA-N 1 0 395.297 2.787 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C1 ZINC000237440109 553077713 /nfs/dbraw/zinc/07/77/13/553077713.db2.gz JXZXVKURSFXLLO-OBJOEFQTSA-N 1 0 384.307 2.932 20 0 GFADRO C[C@@H]1CCCN(C(=O)CCNC(=O)Nc2ccc(Br)cc2)[C@@H]1C[NH3+] ZINC000237489423 553078289 /nfs/dbraw/zinc/07/82/89/553078289.db2.gz SEPYGQZJRXUIBS-IUODEOHRSA-N 1 0 397.317 2.547 20 0 GFADRO C[C@H]1C[NH2+]CCN1C(=O)CCc1ncc(-c2ccccc2Br)o1 ZINC000237625014 553080104 /nfs/dbraw/zinc/08/01/04/553080104.db2.gz HXJQMSFFTLQHGT-LBPRGKRZSA-N 1 0 378.270 2.857 20 0 GFADRO Cc1nn(-c2ccc(C(=O)NC[C@@H]([NH3+])C3CC3)cc2)c(C)c1Br ZINC000237664946 553080378 /nfs/dbraw/zinc/08/03/78/553080378.db2.gz XGEYYEGGLRTKBB-OAHLLOKOSA-N 1 0 377.286 2.719 20 0 GFADRO C[C@H](CC(=O)NCc1cn2cc(Br)ccc2n1)[C@H]1CCC[NH2+]C1 ZINC000237680336 553080410 /nfs/dbraw/zinc/08/04/10/553080410.db2.gz ROVIBSYZJHHDQJ-OLZOCXBDSA-N 1 0 379.302 2.739 20 0 GFADRO O=C(NCCCc1ccc(Cl)cc1Cl)c1cn(C2CC[NH2+]CC2)nn1 ZINC000237665116 553080507 /nfs/dbraw/zinc/08/05/07/553080507.db2.gz JFXFCZIEBOCAOO-UHFFFAOYSA-N 1 0 382.295 2.872 20 0 GFADRO C[C@H]1CCCN(C(=O)c2cnn(-c3ccc(Br)cc3)c2)[C@@H]1C[NH3+] ZINC000237660880 553080649 /nfs/dbraw/zinc/08/06/49/553080649.db2.gz PGPAPCJYZURIGQ-BLLLJJGKSA-N 1 0 377.286 2.834 20 0 GFADRO C[C@H]1CN(C(=O)CCc2ncc(-c3ccccc3Br)o2)CC[NH2+]1 ZINC000237734291 553081210 /nfs/dbraw/zinc/08/12/10/553081210.db2.gz BPORGIZKJGQXPU-LBPRGKRZSA-N 1 0 378.270 2.857 20 0 GFADRO [NH3+]C1(CC(=O)NCCSCCOc2cccc(Br)c2)CCC1 ZINC000237812368 553082137 /nfs/dbraw/zinc/08/21/37/553082137.db2.gz RTDBYDGVJAKFRZ-UHFFFAOYSA-N 1 0 387.343 2.949 20 0 GFADRO O=C(Cc1cccc(I)c1)N1CCC([NH2+]CC2CC2)CC1 ZINC000237814042 553082306 /nfs/dbraw/zinc/08/23/06/553082306.db2.gz QYYFDRHDLXZCTO-UHFFFAOYSA-N 1 0 398.288 2.824 20 0 GFADRO O=C(C[C@@H]1CSCC[NH2+]1)NCc1cc(Br)ccc1OC(F)F ZINC000237796334 553082399 /nfs/dbraw/zinc/08/23/99/553082399.db2.gz WTIGDQWHJHDBQE-LLVKDONJSA-N 1 0 395.269 2.762 20 0 GFADRO [NH3+][C@H]1CCC[C@@H]1C(=O)N1CCC(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000237834117 553082913 /nfs/dbraw/zinc/08/29/13/553082913.db2.gz SZUOKLWOCNPQFR-HOTGVXAUSA-N 1 0 394.313 2.754 20 0 GFADRO O=C(NC[C@H]1CCCN(C(=O)c2ccc(Cl)cc2Cl)C1)[C@H]1CCC[NH2+]1 ZINC000237862893 553083206 /nfs/dbraw/zinc/08/32/06/553083206.db2.gz OKPKYKLGSAZCTA-MLGOLLRUSA-N 1 0 384.307 2.714 20 0 GFADRO [NH3+][C@H]1CC[C@H](C(=O)NCC2(c3cccc(Br)c3)CCOCC2)C1 ZINC000237892434 553083439 /nfs/dbraw/zinc/08/34/39/553083439.db2.gz ONYWPWXOUIBDBH-BBRMVZONSA-N 1 0 381.314 2.741 20 0 GFADRO [NH3+][C@@H]1CCCCCC[C@H]1C(=O)NC[C@@H](O)COc1ccccc1Br ZINC000237894008 553083598 /nfs/dbraw/zinc/08/35/98/553083598.db2.gz RJTFDGIMEHRRDB-IIAWOOMASA-N 1 0 399.329 2.603 20 0 GFADRO O=C(c1ccc(Cl)c(Cl)c1)N1CCC[C@@H](C(=O)N2CCC[NH2+]CC2)C1 ZINC000237860603 553083631 /nfs/dbraw/zinc/08/36/31/553083631.db2.gz SMWJOZPJNIURMA-CQSZACIVSA-N 1 0 384.307 2.668 20 0 GFADRO [NH3+]CC(=O)N1CCN(Cc2ccc(-c3ccc(Br)cc3)s2)CC1 ZINC000237955748 553084077 /nfs/dbraw/zinc/08/40/77/553084077.db2.gz IVDXTWBCWWGLAH-UHFFFAOYSA-N 1 0 394.338 2.781 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H]1C(=O)N1CCC(C(=O)Nc2ccccc2Br)CC1 ZINC000237906953 553084092 /nfs/dbraw/zinc/08/40/92/553084092.db2.gz GWFNYOLKERLUHT-DZGCQCFKSA-N 1 0 394.313 2.754 20 0 GFADRO O=C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cc(=O)[nH]c2ccc(Br)cc21 ZINC000237990150 553084428 /nfs/dbraw/zinc/08/44/28/553084428.db2.gz GWOVOYWKESGWFF-FOSCPWQOSA-N 1 0 376.254 2.716 20 0 GFADRO [NH3+]CCCCCCC(=O)N1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000237973915 553084824 /nfs/dbraw/zinc/08/48/24/553084824.db2.gz MXURFNFACUTLEQ-UHFFFAOYSA-N 1 0 396.329 2.643 20 0 GFADRO [NH3+]C[C@H]1CCCC[C@H]1NC(=O)c1cc(F)c(F)cc1I ZINC000238015915 553085153 /nfs/dbraw/zinc/08/51/53/553085153.db2.gz LQVZHRQLHHMRAH-AMIZOPFISA-N 1 0 394.203 2.817 20 0 GFADRO [NH3+][C@H]1CCC[C@@H](C(=O)N2CCN(C(=O)c3cc(Cl)cc(Cl)c3)CC2)C1 ZINC000238007720 553085207 /nfs/dbraw/zinc/08/52/07/553085207.db2.gz GTBYWFUCYNIXBK-WBMJQRKESA-N 1 0 384.307 2.795 20 0 GFADRO [NH3+]CC1(C(=O)N2CCN(C(=O)c3c(Cl)cccc3Cl)CC2)CCCC1 ZINC000238042656 553085299 /nfs/dbraw/zinc/08/52/99/553085299.db2.gz PQFACCZJYZBZEZ-UHFFFAOYSA-N 1 0 384.307 2.797 20 0 GFADRO OC1CC[NH+](CCCNCc2cc(Br)ccc2OC(F)F)CC1 ZINC000238136243 553086419 /nfs/dbraw/zinc/08/64/19/553086419.db2.gz VRLCZHHTNTWEMN-UHFFFAOYSA-N 1 0 393.272 2.987 20 0 GFADRO C[C@@H](C(=O)Nc1cccc(Br)c1)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000245427437 553089944 /nfs/dbraw/zinc/08/99/44/553089944.db2.gz MAKMYWRVEMLDRD-ZANVPECISA-N 1 0 381.192 2.775 20 0 GFADRO CCC[N@H+](C)C[C@@H]1CCN([C@@H](C(N)=O)c2ccc(Br)cc2F)C1 ZINC000245444655 553090622 /nfs/dbraw/zinc/09/06/22/553090622.db2.gz YGFMOALEKJJBAF-BLLLJJGKSA-N 1 0 386.309 2.778 20 0 GFADRO NC(=O)[C@H](c1ccc(Br)cc1F)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000245443939 553091068 /nfs/dbraw/zinc/09/10/68/553091068.db2.gz JFSJXINNULSHKY-GUYCJALGSA-N 1 0 398.320 2.922 20 0 GFADRO CC(C)N1CC[C@H](NC(=O)[C@@]2(O)CCSC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000245567050 553092746 /nfs/dbraw/zinc/09/27/46/553092746.db2.gz RRQLMRQEFSYGCJ-XYJFISCASA-N 1 0 386.920 2.987 20 0 GFADRO C[C@@H]1CN(C(=O)NC[C@H](c2cccs2)[NH+](C)C)CCN1CC(F)(F)F ZINC000245645647 553093956 /nfs/dbraw/zinc/09/39/56/553093956.db2.gz BFWDKOYTDSAIKB-CHWSQXEVSA-N 1 0 378.464 2.629 20 0 GFADRO O=C1CC[C@@H]2C[N@H+](C[C@@H](O)c3cccc(Br)c3)CC[C@@H]2N1C1CC1 ZINC000245788281 553096930 /nfs/dbraw/zinc/09/69/30/553096930.db2.gz NGIFSBXUOBCHOW-FHLIZLRMSA-N 1 0 393.325 2.958 20 0 GFADRO CN(C[C@H]1COc2ccccc2O1)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000245785672 553097275 /nfs/dbraw/zinc/09/72/75/553097275.db2.gz MUPLTIVTCNSLIU-WMLDXEAASA-N 1 0 391.265 2.747 20 0 GFADRO NC(=O)[C@H](c1cccc(Br)c1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000245804301 553097557 /nfs/dbraw/zinc/09/75/57/553097557.db2.gz PSWKRSBUIOEUNP-YOEHRIQHSA-N 1 0 380.330 2.783 20 0 GFADRO COCCO[C@@H]1CCC[N@H+](C[C@@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000245932593 553099686 /nfs/dbraw/zinc/09/96/86/553099686.db2.gz VCMGKELCRPXQIQ-HUUCEWRRSA-N 1 0 378.296 2.861 20 0 GFADRO CC(C)Cc1nnc(NC(=O)CN(C[C@@H]2CCCO2)[C@H]2CCSC2)s1 ZINC000246006499 553101083 /nfs/dbraw/zinc/10/10/83/553101083.db2.gz YZEODWJXSVJLIT-KBPBESRZSA-N 1 0 384.571 2.662 20 0 GFADRO CCS(=O)(=O)C[C@H](C)[NH2+]C[C@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000246028007 553101235 /nfs/dbraw/zinc/10/12/35/553101235.db2.gz LJSOVBDDAJZVLN-QEORTHHSSA-N 1 0 376.925 2.885 20 0 GFADRO C[C@H](O)C[N@@H+]1CCN(CC(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)C[C@H]1C ZINC000246945659 553115705 /nfs/dbraw/zinc/11/57/05/553115705.db2.gz BDHNVRJYYZREEQ-RDBSUJKOSA-N 1 0 388.339 2.558 20 0 GFADRO CC[C@@H]1CN(C(=O)Nc2ccc(Br)cc2F)CC[N@@H+]1C[C@H](C)O ZINC000247077669 553118114 /nfs/dbraw/zinc/11/81/14/553118114.db2.gz OZXQYPFCDBWEBZ-WCQYABFASA-N 1 0 388.281 2.897 20 0 GFADRO C[C@@H]1CN(C(=O)[C@H]2CCCN2C(=O)c2ccc(Cl)c(Cl)c2)C[C@@H](C)[NH2+]1 ZINC000247330004 553121335 /nfs/dbraw/zinc/12/13/35/553121335.db2.gz UUMOJDJQLAZSIG-XHBSWPGZSA-N 1 0 384.307 2.807 20 0 GFADRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2S(=O)(=O)c2cccc(OC(F)(F)F)c2)C1 ZINC000247646882 553124707 /nfs/dbraw/zinc/12/47/07/553124707.db2.gz VRRLWRQBEJTZPX-SWLSCSKDSA-N 1 0 378.416 2.690 20 0 GFADRO COCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](Cc2ccc(OC)c(Br)c2)C1 ZINC000247821040 553125903 /nfs/dbraw/zinc/12/59/03/553125903.db2.gz DAOBGFSUUBDWHJ-HIFRSBDPSA-N 1 0 399.329 2.821 20 0 GFADRO Cc1cc(Br)c(F)cc1NC(=O)N1CC[N@@H+](C[C@H](C)O)[C@H](C)C1 ZINC000248572688 553130972 /nfs/dbraw/zinc/13/09/72/553130972.db2.gz NGGHIJXKALFGFZ-NEPJUHHUSA-N 1 0 388.281 2.815 20 0 GFADRO Cc1cc(NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc(C)c1Br ZINC000248659857 553132537 /nfs/dbraw/zinc/13/25/37/553132537.db2.gz HDJUNTPKOLXVSI-DZGCQCFKSA-N 1 0 396.329 2.946 20 0 GFADRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)[C@H]3CCN(c4cc(Cl)ccc4Cl)C3=O)C[C@H]12 ZINC000248699109 553133095 /nfs/dbraw/zinc/13/30/95/553133095.db2.gz ZHDKBTOPHTVVRZ-IKVITTDRSA-N 1 0 382.291 2.542 20 0 GFADRO O=C(C[C@H]1CSCCS1)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000248673876 553133103 /nfs/dbraw/zinc/13/31/03/553133103.db2.gz RZKYVENWKFMKMO-MSOLQXFVSA-N 1 0 380.579 2.632 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2cccc(C)c2Br)[C@@H](C)C1 ZINC000249160259 553140437 /nfs/dbraw/zinc/14/04/37/553140437.db2.gz JCRFGLKZFKKLCG-DZGCQCFKSA-N 1 0 396.329 2.885 20 0 GFADRO CC[N@@H+](C[C@@H](O)C(F)(F)F)C[C@H](O)COc1cccc(C(F)(F)F)c1 ZINC000249455487 553143419 /nfs/dbraw/zinc/14/34/19/553143419.db2.gz NLMPLBPJKNFGMG-WCQYABFASA-N 1 0 375.309 2.690 20 0 GFADRO C[N@H+](C[C@@H](O)COc1ccc(C(F)(F)F)cc1)C[C@H](O)CC(F)(F)F ZINC000249486510 553143849 /nfs/dbraw/zinc/14/38/49/553143849.db2.gz UMKGAFZXWGMMOQ-VXGBXAGGSA-N 1 0 375.309 2.690 20 0 GFADRO [NH3+][C@@H]1CC[C@@H]2CN(S(=O)(=O)c3cc(Cl)c(Br)cc3F)C[C@@H]12 ZINC000249631104 553145233 /nfs/dbraw/zinc/14/52/33/553145233.db2.gz VGIWHENNEADLIZ-DNSOKLHBSA-N 1 0 397.697 2.599 20 0 GFADRO Cc1n[nH]c(C)c1NC(=O)CN(C)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000249751852 553146363 /nfs/dbraw/zinc/14/63/63/553146363.db2.gz RBUFMPUMLHITDB-PBHICJAKSA-N 1 0 383.279 2.862 20 0 GFADRO C[C@H](CNC(=O)[C@@H]1C[C@H]1c1ccc(Br)cc1)C[NH+]1CCN(C)CC1 ZINC000250278736 553147283 /nfs/dbraw/zinc/14/72/83/553147283.db2.gz AZIQPTUZBXGEKR-FHLIZLRMSA-N 1 0 394.357 2.552 20 0 GFADRO COc1ccc(CNC(=O)N(C)[C@@H]2CC[N@H+](C)C[C@H]2C)cc1Br ZINC000252652013 553150286 /nfs/dbraw/zinc/15/02/86/553150286.db2.gz WWHLHVWRIXREDA-IUODEOHRSA-N 1 0 384.318 2.939 20 0 GFADRO O=S(=O)(C[C@H](O)C[NH2+][C@H]1CC[C@@H](Cc2ccccc2)C1)c1cccs1 ZINC000253133057 553150422 /nfs/dbraw/zinc/15/04/22/553150422.db2.gz XNXTYECQLSSIRK-OKZBNKHCSA-N 1 0 379.547 2.884 20 0 GFADRO Brc1cnc(CN2CC[C@@H]3C[NH2+]C[C@H]3C2)c(Br)c1 ZINC000261559231 553153551 /nfs/dbraw/zinc/15/35/51/553153551.db2.gz DQSSHQGJXLZXHV-ZJUUUORDSA-N 1 0 375.108 2.648 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCCCN1S(=O)(=O)c1ccc(Cl)cc1Br ZINC000261601104 553154118 /nfs/dbraw/zinc/15/41/18/553154118.db2.gz AATIXQXXCATXTG-CABZTGNLSA-N 1 0 381.723 2.993 20 0 GFADRO Cc1cc(S(=O)(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)ccc1Br ZINC000261667357 553155513 /nfs/dbraw/zinc/15/55/13/553155513.db2.gz ITZGUVWBQAIUJS-DOTOQJQBSA-N 1 0 395.322 2.873 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)N1C[C@H](C[NH3+])C[C@H]1C ZINC000261684367 553155950 /nfs/dbraw/zinc/15/59/50/553155950.db2.gz HZZDZJJNLWXZHJ-KFWWJZLASA-N 1 0 384.567 2.547 20 0 GFADRO C[C@H](NC(=O)CC[C@@H]1CC[NH2+]C1)c1cc2c(cc1Br)OCCO2 ZINC000261668778 553156140 /nfs/dbraw/zinc/15/61/40/553156140.db2.gz AKNCYINNFBCXNY-NWDGAFQWSA-N 1 0 383.286 2.787 20 0 GFADRO CCc1nc(C(=O)N2C[C@@H](C[NH3+])C[C@@H]2C)nn1-c1c(Cl)cccc1Cl ZINC000261704810 553156880 /nfs/dbraw/zinc/15/68/80/553156880.db2.gz JNUWAUVWUAIESR-WDEREUQCSA-N 1 0 382.295 2.946 20 0 GFADRO C[NH2+][C@@H](C)Cc1noc(-c2nn(-c3ccc(F)cc3)cc2Br)n1 ZINC000261720929 553157440 /nfs/dbraw/zinc/15/74/40/553157440.db2.gz JOAWXSNFKHPISK-VIFPVBQESA-N 1 0 380.221 2.974 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000261714837 553157477 /nfs/dbraw/zinc/15/74/77/553157477.db2.gz JNNMQMDAGVKXKE-TZMCWYRMSA-N 1 0 382.302 2.577 20 0 GFADRO Brc1ccccc1C[NH+]1CCC(c2nnc3n2CCNC3)CC1 ZINC000261719005 553157549 /nfs/dbraw/zinc/15/75/49/553157549.db2.gz KOHQWPJXJNBPRR-UHFFFAOYSA-N 1 0 376.302 2.523 20 0 GFADRO C[NH2+][C@@H](C)Cc1noc([C@H]2CC(=O)N(c3ccccc3Br)C2)n1 ZINC000261763205 553158534 /nfs/dbraw/zinc/15/85/34/553158534.db2.gz MNSWPQOILSPNDO-QWRGUYRKSA-N 1 0 379.258 2.503 20 0 GFADRO [NH3+]C1(c2noc([C@H]3CCN(c4cccc(Br)c4)C3=O)n2)CCC1 ZINC000261776830 553159172 /nfs/dbraw/zinc/15/91/72/553159172.db2.gz NMMBWLPNEMSBCA-GFCCVEGCSA-N 1 0 377.242 2.691 20 0 GFADRO CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@@](C)([NH3+])c2ccc(Br)cc2)C1 ZINC000261797497 553160016 /nfs/dbraw/zinc/16/00/16/553160016.db2.gz QPSQEESFYHXWPI-KDOFPFPSSA-N 1 0 382.346 2.813 20 0 GFADRO Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2nc(C3([NH3+])CCCC3)no2)s1 ZINC000261862805 553161124 /nfs/dbraw/zinc/16/11/24/553161124.db2.gz UNBVANBUZIIERZ-GFCCVEGCSA-N 1 0 382.511 2.693 20 0 GFADRO CCCS(=O)(=O)Nc1cc(NC(=O)C[C@@H]2CCC[C@H]2[NH3+])c(F)cc1F ZINC000261864331 553161144 /nfs/dbraw/zinc/16/11/44/553161144.db2.gz XFLWOSDRCRIYLN-GXFFZTMASA-N 1 0 375.441 2.573 20 0 GFADRO COC(=O)C[C@H](NC(=O)CC[C@@H]1CC[NH2+]C1)c1cccc(Br)c1 ZINC000261861447 553161258 /nfs/dbraw/zinc/16/12/58/553161258.db2.gz OUBQPXIULSVIHE-DOMZBBRYSA-N 1 0 383.286 2.559 20 0 GFADRO [NH3+]C1(c2noc(CCC(=O)c3ccc(I)cc3)n2)CCC1 ZINC000261883196 553161516 /nfs/dbraw/zinc/16/15/16/553161516.db2.gz WQRZTTNCVJAYLY-UHFFFAOYSA-N 1 0 397.216 2.828 20 0 GFADRO C[C@]1(CNS(=O)(=O)c2c(Cl)cccc2Br)CCC[NH2+]C1 ZINC000261876214 553161634 /nfs/dbraw/zinc/16/16/34/553161634.db2.gz ZQWFPNGMEVPSRL-ZDUSSCGKSA-N 1 0 381.723 2.771 20 0 GFADRO [NH3+]C1(c2noc([C@@H]3CCCCN3S(=O)(=O)c3cccs3)n2)CCCC1 ZINC000261874342 553161889 /nfs/dbraw/zinc/16/18/89/553161889.db2.gz VNPIWDDIXKLKCI-LBPRGKRZSA-N 1 0 382.511 2.775 20 0 GFADRO Cc1cc(C(=O)N2C[C@H](C[NH3+])C[C@@H]2C)nn1-c1ccc(Br)cc1 ZINC000261871056 553161898 /nfs/dbraw/zinc/16/18/98/553161898.db2.gz SHABMRRDHJUMLO-AAEUAGOBSA-N 1 0 377.286 2.753 20 0 GFADRO COc1ccc(Br)cc1C(=O)CCC(=O)N1C[C@H](C[NH3+])C[C@H]1C ZINC000261897159 553162419 /nfs/dbraw/zinc/16/24/19/553162419.db2.gz WCCLFFWTVGFOQU-NEPJUHHUSA-N 1 0 383.286 2.616 20 0 GFADRO Cc1cc(S(=O)(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)ccc1Br ZINC000261941178 553162750 /nfs/dbraw/zinc/16/27/50/553162750.db2.gz LIFXIOWGNMXOIG-MRXNPFEDSA-N 1 0 387.343 2.910 20 0 GFADRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)c1cc(I)ccc1Cl ZINC000261921542 553163098 /nfs/dbraw/zinc/16/30/98/553163098.db2.gz IOKFCYMHDMEORC-RKDXNWHRSA-N 1 0 378.641 2.754 20 0 GFADRO CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)[C@H]([NH3+])CCSC ZINC000261963337 553163607 /nfs/dbraw/zinc/16/36/07/553163607.db2.gz SILNMUQIDCCLHU-GFCCVEGCSA-N 1 0 377.432 2.573 20 0 GFADRO CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@H](c1ccc(Br)cc1)C1CCC1 ZINC000261980111 553164157 /nfs/dbraw/zinc/16/41/57/553164157.db2.gz BXRGDUJSGDZBJJ-IRXDYDNUSA-N 1 0 396.329 2.506 20 0 GFADRO O=S(=O)(c1cccc(Br)c1Cl)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262041572 553164557 /nfs/dbraw/zinc/16/45/57/553164557.db2.gz LJRWRDBBXNDKRU-ZJUUUORDSA-N 1 0 379.707 2.618 20 0 GFADRO FC(F)Oc1ccc(CN2CC[C@H](N3CC[NH2+]CC3)C2)cc1Br ZINC000262083990 553165284 /nfs/dbraw/zinc/16/52/84/553165284.db2.gz FSTAVAZADCEPGL-ZDUSSCGKSA-N 1 0 390.272 2.530 20 0 GFADRO FC(F)(F)c1cc(Br)cc(CN2CC[C@H](N3CC[NH2+]CC3)C2)c1 ZINC000262086923 553165841 /nfs/dbraw/zinc/16/58/41/553165841.db2.gz GGTOMOXQZMSENK-HNNXBMFYSA-N 1 0 392.263 2.947 20 0 GFADRO Cc1c(C(=O)N2CC[C@](C)(C[NH3+])C2)cnn1-c1cccc(Br)c1 ZINC000262185262 553166883 /nfs/dbraw/zinc/16/68/83/553166883.db2.gz ZJQGEFFCGJGWCT-QGZVFWFLSA-N 1 0 377.286 2.754 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CN1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000262206723 553167413 /nfs/dbraw/zinc/16/74/13/553167413.db2.gz LCWISTAWKRABDT-QGZVFWFLSA-N 1 0 389.297 2.738 20 0 GFADRO O=C(C[C@@H]1COCC[NH2+]1)NCC1(c2ccc(Cl)cc2Cl)CCOCC1 ZINC000262217031 553167582 /nfs/dbraw/zinc/16/75/82/553167582.db2.gz ORYHFKDPABHSEG-CQSZACIVSA-N 1 0 387.307 2.536 20 0 GFADRO O=C(NC[C@H]1CCCN(Cc2ccc(Br)s2)C1)[C@H]1CCC[NH2+]1 ZINC000262365622 553169871 /nfs/dbraw/zinc/16/98/71/553169871.db2.gz WWNDKZXBSXTFFY-TZMCWYRMSA-N 1 0 386.359 2.591 20 0 GFADRO COc1ccc(C(=O)Nc2nc3c(s2)C[C@@H]([NH3+])CC3)cc1Br ZINC000262530534 553171951 /nfs/dbraw/zinc/17/19/51/553171951.db2.gz PMMBWQVMMCPLOA-VIFPVBQESA-N 1 0 382.283 2.983 20 0 GFADRO O=C(C[C@@H]1COCC[NH2+]1)N1CCC(COc2cc(Cl)cc(Cl)c2)CC1 ZINC000262523406 553171964 /nfs/dbraw/zinc/17/19/64/553171964.db2.gz KYWOIPSMVIOHTB-MRXNPFEDSA-N 1 0 387.307 2.989 20 0 GFADRO C[C@@H](C[NH3+])NC(=O)c1cnn(-c2ncc(Cl)cc2Cl)c1C(F)(F)F ZINC000262515200 553171999 /nfs/dbraw/zinc/17/19/99/553171999.db2.gz GANKGMSQYPHLAZ-LURJTMIESA-N 1 0 382.173 2.670 20 0 GFADRO O=C(CCc1nc2cc(Br)ccc2s1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000262499794 553172048 /nfs/dbraw/zinc/17/20/48/553172048.db2.gz XVRVTPATJRLSTA-PHIMTYICSA-N 1 0 380.311 2.669 20 0 GFADRO CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)C1(S(C)(=O)=O)CC[NH2+]CC1 ZINC000262516908 553172064 /nfs/dbraw/zinc/17/20/64/553172064.db2.gz KGHGDGTVXJSSKM-UHFFFAOYSA-N 1 0 393.336 2.509 20 0 GFADRO O=C(NCC[C@H]1CC[NH2+]C1)c1ccc(Cl)c(I)c1 ZINC000262586920 553172894 /nfs/dbraw/zinc/17/28/94/553172894.db2.gz WGMJDJNCJHMVJE-SECBINFHSA-N 1 0 378.641 2.674 20 0 GFADRO CC(=O)N[C@H](CC(=O)N[C@@H]1CCCC[C@H]1C[NH3+])c1ccc(Br)cc1 ZINC000262638922 553173466 /nfs/dbraw/zinc/17/34/66/553173466.db2.gz RAOVSMJBDXCKNK-USXIJHARSA-N 1 0 396.329 2.650 20 0 GFADRO [NH3+][C@@H]1CC[C@H](C(=O)N[C@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)C1 ZINC000262662598 553173512 /nfs/dbraw/zinc/17/35/12/553173512.db2.gz ZHPPGSONIRGGCT-WCQGTBRESA-N 1 0 376.810 2.576 20 0 GFADRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)c1nn(-c2ccc(F)cc2)cc1Br ZINC000262765337 553175198 /nfs/dbraw/zinc/17/51/98/553175198.db2.gz KYWFURSNMNIGOQ-IINYFYTJSA-N 1 0 381.249 2.502 20 0 GFADRO C[NH2+]C[C@H]1CCCN(S(=O)(=O)c2cccc(Cl)c2Br)C1 ZINC000262792684 553176195 /nfs/dbraw/zinc/17/61/95/553176195.db2.gz SBQVNGTUVZCDNH-SNVBAGLBSA-N 1 0 381.723 2.723 20 0 GFADRO CN(Cc1ccc(Br)s1)C(=O)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000262820731 553176838 /nfs/dbraw/zinc/17/68/38/553176838.db2.gz RDBGNDWELILAOO-NSHDSACASA-N 1 0 383.315 2.904 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)CCC[S@@](=O)c2ccc(Br)cc2)CC[NH2+]1 ZINC000262859893 553177400 /nfs/dbraw/zinc/17/74/00/553177400.db2.gz LCUKTAGPWHAHKS-MZOGBMEOSA-N 1 0 387.343 2.594 20 0 GFADRO NC(=O)c1csc(C(=O)N(Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)c1 ZINC000262996500 553180127 /nfs/dbraw/zinc/18/01/27/553180127.db2.gz WKGNXKNCYQMSCC-HNNXBMFYSA-N 1 0 375.519 2.693 20 0 GFADRO O=C(Nc1cccc(Br)c1)C1CC[NH+](CCn2cccn2)CC1 ZINC000263680408 553190679 /nfs/dbraw/zinc/19/06/79/553190679.db2.gz IAPFZLIGWCQTON-UHFFFAOYSA-N 1 0 377.286 2.996 20 0 GFADRO COc1c(Cl)cc(NC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1Cl ZINC000263663034 553190926 /nfs/dbraw/zinc/19/09/26/553190926.db2.gz GWFKLKSTNSAWRI-KGLIPLIRSA-N 1 0 386.279 2.684 20 0 GFADRO COc1c(Cl)cc(NC(=O)C(=O)NC2CC[NH+](C(C)C)CC2)cc1Cl ZINC000263746850 553192363 /nfs/dbraw/zinc/19/23/63/553192363.db2.gz XPMZWQKJGZAGLA-UHFFFAOYSA-N 1 0 388.295 2.930 20 0 GFADRO CC[N@H+](CCNC(=O)CSc1nncn1-c1cccc(Cl)c1)C1CC1 ZINC000263770421 553193617 /nfs/dbraw/zinc/19/36/17/553193617.db2.gz TXPWELKDQXLGRX-UHFFFAOYSA-N 1 0 379.917 2.613 20 0 GFADRO O=S(=O)(N[C@H]1CC12CC[NH2+]CC2)c1ccc(Cl)cc1Br ZINC000368631502 563875971 /nfs/dbraw/zinc/87/59/71/563875971.db2.gz HZTPHLFWVPFQMK-LBPRGKRZSA-N 1 0 379.707 2.523 20 0 GFADRO CCC[NH+]1CCC(NS(=O)(=O)c2cccc(Br)c2F)CC1 ZINC000541215625 564269978 /nfs/dbraw/zinc/26/99/78/564269978.db2.gz GKSXNUIGIUBNIH-UHFFFAOYSA-N 1 0 379.295 2.741 20 0 GFADRO COCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](Cc2cc(Br)cs2)C1 ZINC000511502289 564374294 /nfs/dbraw/zinc/37/42/94/564374294.db2.gz BVSHLYXIBGMDFT-VXGBXAGGSA-N 1 0 375.332 2.874 20 0 GFADRO O[C@H](C[NH2+]C[C@@H]1CCC[C@H](O)C1)COc1ccc(Cl)cc1Br ZINC000567876327 564393327 /nfs/dbraw/zinc/39/33/27/564393327.db2.gz QUFNTEUUTHGDRN-KWCYVHTRSA-N 1 0 392.721 2.983 20 0 GFADRO Cc1cc(Br)c(C(=O)N[C@@H]2CCC[N@H+](CCCO)C2)cc1Cl ZINC000295573435 563254193 /nfs/dbraw/zinc/25/41/93/563254193.db2.gz VFWCHMZFGWBRDP-GFCCVEGCSA-N 1 0 389.721 2.988 20 0 GFADRO CC(C)[N@@H+](Cc1cc(Br)cc(Br)c1)C[C@H](O)CO ZINC000421409554 563309222 /nfs/dbraw/zinc/30/92/22/563309222.db2.gz MUARDUYHWCUOKR-ZDUSSCGKSA-N 1 0 381.108 2.775 20 0 GFADRO O=C(Cc1cccc(I)c1)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000423976871 563366636 /nfs/dbraw/zinc/36/66/36/563366636.db2.gz PLBWIAKJTWFSGS-HOCLYGCPSA-N 1 0 398.288 2.824 20 0 GFADRO Ic1cccc(CN2CC[NH+](C3CCOCC3)CC2)c1 ZINC000284386881 563472675 /nfs/dbraw/zinc/47/26/75/563472675.db2.gz OWYLYVGOSSFVDC-UHFFFAOYSA-N 1 0 386.277 2.588 20 0 GFADRO [NH3+]CC1CCN(C(=O)NCCc2c[nH]c3cccc(Br)c23)CC1 ZINC000418194666 563213129 /nfs/dbraw/zinc/21/31/29/563213129.db2.gz DUPVNENAUNRZLT-UHFFFAOYSA-N 1 0 379.302 2.853 20 0 GFADRO CCOCC[C@@H](O)C[NH+]1CCN(CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000277562722 563213360 /nfs/dbraw/zinc/21/33/60/563213360.db2.gz ALXZGOMLRJQLDN-MRXNPFEDSA-N 1 0 375.340 2.941 20 0 GFADRO C[C@@H]1[NH2+]CCN(C(=O)NCCc2c[nH]c3cccc(Br)c23)[C@H]1C ZINC000418200948 563213540 /nfs/dbraw/zinc/21/35/40/563213540.db2.gz QYIMKVFUXXGYPX-RYUDHWBXSA-N 1 0 379.302 2.865 20 0 GFADRO CC1(C)Cc2ccc(Br)cc2[C@@H]1NC(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000418221192 563214336 /nfs/dbraw/zinc/21/43/36/563214336.db2.gz VKTJFYPWUUANBH-HOCLYGCPSA-N 1 0 396.329 2.832 20 0 GFADRO [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)NCc1nc2c(cccc2Br)[nH]1 ZINC000418272874 563215102 /nfs/dbraw/zinc/21/51/02/563215102.db2.gz WLMUCJUFLFPFKE-SWKMLJDHSA-N 1 0 392.301 2.641 20 0 GFADRO [NH3+]C1(CNC(=O)N[C@H](CO)c2ccc(Br)c(F)c2)CCCCC1 ZINC000418300768 563215718 /nfs/dbraw/zinc/21/57/18/563215718.db2.gz WNIDDZBOTORAAN-CQSZACIVSA-N 1 0 388.281 2.582 20 0 GFADRO CN(C)C(=O)CN1CCC([NH2+]C2CC(c3cccc(Br)c3)C2)CC1 ZINC000277599313 563216007 /nfs/dbraw/zinc/21/60/07/563216007.db2.gz PSKKYQBACYGJSD-UHFFFAOYSA-N 1 0 394.357 2.837 20 0 GFADRO C[N@@H+]1CC[C@H](CNS(=O)(=O)c2ccc3c(c2)CCO3)[C@@H]1c1cccs1 ZINC000369540261 563216207 /nfs/dbraw/zinc/21/62/07/563216207.db2.gz MUBFYOBLQOBKDW-RDTXWAMCSA-N 1 0 378.519 2.654 20 0 GFADRO C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)NC[C@H]2CCC[NH2+]2)CC1 ZINC000418361775 563216402 /nfs/dbraw/zinc/21/64/02/563216402.db2.gz HDKVEXVWUUWYIV-WMLDXEAASA-N 1 0 395.345 2.589 20 0 GFADRO C[C@H](NC(=O)c1cccs1)C(=O)NC[C@H]1CC[N@H+](C)[C@@H]1c1cccs1 ZINC000369552710 563217151 /nfs/dbraw/zinc/21/71/51/563217151.db2.gz WRFFSPJYWQQUTN-ZENOOKHLSA-N 1 0 377.535 2.737 20 0 GFADRO [NH3+]C[C@H](NC(=O)N1CCC[C@@H]1C(=O)Nc1cc(Cl)cc(Cl)c1)C1CC1 ZINC000418406684 563217188 /nfs/dbraw/zinc/21/71/88/563217188.db2.gz SEQPPIDBUPNPEG-LSDHHAIUSA-N 1 0 385.295 2.843 20 0 GFADRO COc1cc(C[NH2+][C@H]2CCOC[C@H]2C)cc(I)c1OC ZINC000277635496 563217831 /nfs/dbraw/zinc/21/78/31/563217831.db2.gz CMNFJGKKKUNCGC-MFKMUULPSA-N 1 0 391.249 2.823 20 0 GFADRO CC[NH+]1CCC(NCc2cc(Br)ccc2O[C@@H](C)C(=O)NC)CC1 ZINC000294823239 563218314 /nfs/dbraw/zinc/21/83/14/563218314.db2.gz ROCPVGGOHKVJIX-ZDUSSCGKSA-N 1 0 398.345 2.536 20 0 GFADRO [NH3+][C@@H](CNC(=O)N1CCC[C@@H]1c1ccc(I)cc1)C1CC1 ZINC000418499378 563218505 /nfs/dbraw/zinc/21/85/05/563218505.db2.gz NXGXWBNCABNFMA-LSDHHAIUSA-N 1 0 399.276 2.875 20 0 GFADRO C[C@@H]1[C@H](c2ccc(Br)cc2)OCCN1C(=O)NC[C@@H]1CC[NH2+]C1 ZINC000418511378 563218797 /nfs/dbraw/zinc/21/87/97/563218797.db2.gz DIZQZXFAQVAFMA-XJKCOSOUSA-N 1 0 382.302 2.530 20 0 GFADRO COCC[NH2+]CCNC(=O)N1CCCC[C@@H]1Cc1ccccc1Br ZINC000418508854 563218909 /nfs/dbraw/zinc/21/89/09/563218909.db2.gz NMQVJBVGRJOTQJ-MRXNPFEDSA-N 1 0 398.345 2.792 20 0 GFADRO C[C@@](O)(CNC(=O)NC1CC[NH+](Cc2cccs2)CC1)c1cccs1 ZINC000369603025 563219000 /nfs/dbraw/zinc/21/90/00/563219000.db2.gz UVKXGTYZBQRCFW-GOSISDBHSA-N 1 0 379.551 2.981 20 0 GFADRO C[C@@H](CC[NH3+])NC(=O)N1CCC[C@@H]1c1ccccc1I ZINC000418522126 563219430 /nfs/dbraw/zinc/21/94/30/563219430.db2.gz JAYDOCZNNFVFCP-SMDDNHRTSA-N 1 0 387.265 2.875 20 0 GFADRO COCCN(Cc1cc(Br)cs1)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000418598730 563220806 /nfs/dbraw/zinc/22/08/06/563220806.db2.gz YYEYCRXBVYLVDJ-OLZOCXBDSA-N 1 0 390.347 2.939 20 0 GFADRO CCc1ccccc1[C@H]([NH3+])CNC(=O)N(C)CCn1cc(Br)cn1 ZINC000418642011 563221361 /nfs/dbraw/zinc/22/13/61/563221361.db2.gz AFJBUUIKUSRVLA-MRXNPFEDSA-N 1 0 394.317 2.549 20 0 GFADRO O=C(N[C@@H]1C[C@H]1C1CC[NH2+]CC1)N1CCc2ccc(Br)cc2C1 ZINC000418660797 563222071 /nfs/dbraw/zinc/22/20/71/563222071.db2.gz OGAIUHCFXWGKGT-DLBZAZTESA-N 1 0 378.314 2.905 20 0 GFADRO C[C@H]([NH3+])[C@H](C)NC(=O)N(CCc1ccc(Cl)cc1)C[C@@H](O)C(F)(F)F ZINC000418688357 563222174 /nfs/dbraw/zinc/22/21/74/563222174.db2.gz AXGYJGRJYSZJFG-COPLHBTASA-N 1 0 381.826 2.553 20 0 GFADRO COCCN(Cc1ccc(Br)s1)C(=O)N[C@@H](C)CCC[NH3+] ZINC000418685931 563222316 /nfs/dbraw/zinc/22/23/16/563222316.db2.gz JJJOXXSJAPWCCB-NSHDSACASA-N 1 0 378.336 2.796 20 0 GFADRO C[NH+]1CCC(O)(CNC(=O)c2cc3ccc(Br)cc3s2)CC1 ZINC000294925051 563222411 /nfs/dbraw/zinc/22/24/11/563222411.db2.gz KRFXDVCQZKULDV-UHFFFAOYSA-N 1 0 383.311 2.850 20 0 GFADRO C[C@H](CCC[NH3+])NC(=O)N1CCN([C@@H](C)c2ccc(Br)cc2)CC1 ZINC000418704056 563222880 /nfs/dbraw/zinc/22/28/80/563222880.db2.gz MSTAFGWJYNGBPU-CABCVRRESA-N 1 0 397.361 2.965 20 0 GFADRO C[C@@H](NC(=O)N(Cc1cccc(Br)c1)C1CCOCC1)[C@H](C)[NH3+] ZINC000418704153 563223046 /nfs/dbraw/zinc/22/30/46/563223046.db2.gz RAWGYXJVMFITRT-QWHCGFSZSA-N 1 0 384.318 2.875 20 0 GFADRO CN(CCOc1ccc(Br)cc1)C(=O)NC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000418735512 563223563 /nfs/dbraw/zinc/22/35/63/563223563.db2.gz WOTQJHYPDJGYRR-DZGCQCFKSA-N 1 0 384.318 2.987 20 0 GFADRO CN(C)c1ncc(CNC(=O)CCc2cccc(F)c2Br)n1C ZINC000295002587 563225225 /nfs/dbraw/zinc/22/52/25/563225225.db2.gz WDUNWAYCEBSWFR-UHFFFAOYSA-N 1 0 383.265 2.637 20 0 GFADRO CC(C)[C@@](C)(NC(=O)NC[C@@H]1C[NH2+]CCN1C)c1ccc(Br)cc1 ZINC000418768314 563225272 /nfs/dbraw/zinc/22/52/72/563225272.db2.gz RPLATCOJMFMAKT-FUHWJXTLSA-N 1 0 397.361 2.523 20 0 GFADRO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)C(=O)N[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000418814061 563226355 /nfs/dbraw/zinc/22/63/55/563226355.db2.gz FJCJQEJEXCBDRZ-GUYJKWIASA-N 1 0 384.307 2.599 20 0 GFADRO [NH3+]CC[C@H]1CCCN(C(=O)C(=O)N[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000418814789 563226451 /nfs/dbraw/zinc/22/64/51/563226451.db2.gz HDASOMJHQFDQEM-PVXIVEMSSA-N 1 0 384.307 2.553 20 0 GFADRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)Cc1cc[nH]c(=O)c1Br ZINC000277801738 563226719 /nfs/dbraw/zinc/22/67/19/563226719.db2.gz GMYNOFLFNLQZEZ-ZDUSSCGKSA-N 1 0 384.318 2.863 20 0 GFADRO C[C@H](NC(=O)C(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1)c1cc(F)c(Cl)cc1Cl ZINC000418850093 563227091 /nfs/dbraw/zinc/22/70/91/563227091.db2.gz NQBNGDNKTJMUIH-OUAUKWLOSA-N 1 0 390.286 2.753 20 0 GFADRO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N[C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000418889009 563229200 /nfs/dbraw/zinc/22/92/00/563229200.db2.gz HAUKPQVEOYSXRO-MGPQQGTHSA-N 1 0 384.307 2.566 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)C(=O)N[C@H]2C[C@H](c3ccc(Cl)c(Cl)c3)C2)CC[NH2+]1 ZINC000418897355 563229498 /nfs/dbraw/zinc/22/94/98/563229498.db2.gz XEKFLHRUVLBXAS-FMKGYKFTSA-N 1 0 384.307 2.612 20 0 GFADRO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)C(=O)N[C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000418891105 563229515 /nfs/dbraw/zinc/22/95/15/563229515.db2.gz LFXNMZCCIRPVNE-RKOGSIPDSA-N 1 0 384.307 2.612 20 0 GFADRO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N[C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000418897869 563230232 /nfs/dbraw/zinc/23/02/32/563230232.db2.gz YCXKYFXERQREJD-IHRRRGAJSA-N 1 0 386.323 2.845 20 0 GFADRO Cn1cc([C@@H]2C[N@H+](Cc3cccc(Br)n3)CC23CCOCC3)cn1 ZINC000295128866 563230269 /nfs/dbraw/zinc/23/02/69/563230269.db2.gz KSMFJGSQOJBORJ-INIZCTEOSA-N 1 0 391.313 2.974 20 0 GFADRO COc1cc(C[NH2+]C[C@@H](O)Cc2cccc(F)c2)cc(Br)c1O ZINC000295166945 563232411 /nfs/dbraw/zinc/23/24/11/563232411.db2.gz SYZFBDDVCAATDA-AWEZNQCLSA-N 1 0 384.245 2.996 20 0 GFADRO O=C(CCN1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)Nc1cc(Cl)ccc1Cl ZINC000370054174 563232454 /nfs/dbraw/zinc/23/24/54/563232454.db2.gz UQGJWTNSJGRLKI-SJORKVTESA-N 1 0 386.323 2.853 20 0 GFADRO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@@H]1CCCN(CCCO)C1 ZINC000295177840 563232946 /nfs/dbraw/zinc/23/29/46/563232946.db2.gz VFXPSAXEOLRKII-RHSMWYFYSA-N 1 0 398.345 2.603 20 0 GFADRO CC[C@H](NC(=O)C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1)c1ccc(Cl)s1 ZINC000419043810 563233370 /nfs/dbraw/zinc/23/33/70/563233370.db2.gz RWACKJRCPVMFLX-UONOGXRCSA-N 1 0 383.945 2.959 20 0 GFADRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)NCC1(c2c(Cl)cccc2Cl)CCC1 ZINC000419177733 563234637 /nfs/dbraw/zinc/23/46/37/563234637.db2.gz SEIOHMXOYRJLHW-GFCCVEGCSA-N 1 0 386.323 2.503 20 0 GFADRO C[C@H]1C[C@@H](NC(=O)c2c(Br)cnn2C)CC[N@@H+]1Cc1ccccc1 ZINC000295198894 563234781 /nfs/dbraw/zinc/23/47/81/563234781.db2.gz VVMZYPAOAKKVNX-ZFWWWQNUSA-N 1 0 391.313 2.966 20 0 GFADRO C[C@H](NC(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1)c1cccc(Cl)c1Cl ZINC000419256193 563235197 /nfs/dbraw/zinc/23/51/97/563235197.db2.gz XHDVEWWBPGPAAP-HTTKSJEASA-N 1 0 384.307 2.756 20 0 GFADRO COc1cc(Br)c(C(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)cc1OC ZINC000295211751 563235182 /nfs/dbraw/zinc/23/51/82/563235182.db2.gz AATMZBLCGDEOHW-KRWDZBQOSA-N 1 0 383.286 2.634 20 0 GFADRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)N[C@H]1CCSc2ccc(Cl)cc21 ZINC000419204246 563235299 /nfs/dbraw/zinc/23/52/99/563235299.db2.gz GPEUTMLKJOEIII-CQDKDKBSSA-N 1 0 381.929 2.627 20 0 GFADRO CC(C)NS(=O)(=O)[C@H]1CCN(Cc2cc(-c3ccccc3Cl)on2)C1 ZINC000419236882 563235720 /nfs/dbraw/zinc/23/57/20/563235720.db2.gz LGNLDIHEXPYSLV-AWEZNQCLSA-N 1 0 383.901 2.897 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000370177201 563235821 /nfs/dbraw/zinc/23/58/21/563235821.db2.gz ZETLRSKRCVWJOO-CXAGYDPISA-N 1 0 389.297 2.767 20 0 GFADRO C[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000419278604 563236046 /nfs/dbraw/zinc/23/60/46/563236046.db2.gz HYVJAWIQROWAGK-PVXIVEMSSA-N 1 0 386.323 2.674 20 0 GFADRO C[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000419279017 563236471 /nfs/dbraw/zinc/23/64/71/563236471.db2.gz IHTHJLPOHZTZQE-BDJLRTHQSA-N 1 0 386.323 2.674 20 0 GFADRO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1CCOc1ccc(Cl)cc1Br ZINC000419317565 563236720 /nfs/dbraw/zinc/23/67/20/563236720.db2.gz AJUUZMGQWJPFMO-QWHCGFSZSA-N 1 0 391.737 2.868 20 0 GFADRO COCCCC[N@H+](C)[C@H](C)C(=O)Nc1ccc(I)cc1 ZINC000419391072 563239359 /nfs/dbraw/zinc/23/93/59/563239359.db2.gz QQMPXXKAJRFARE-GFCCVEGCSA-N 1 0 390.265 2.977 20 0 GFADRO COCCCC[N@H+](C)CC(=O)Nc1ccc(I)cc1 ZINC000419377052 563239367 /nfs/dbraw/zinc/23/93/67/563239367.db2.gz AQVALUSWZCYIFF-UHFFFAOYSA-N 1 0 376.238 2.588 20 0 GFADRO CS(=O)(=O)N1CC[C@@H](C[N@@H+]2CCC[C@@H]2c2ccc(Br)s2)C1 ZINC000370285372 563239437 /nfs/dbraw/zinc/23/94/37/563239437.db2.gz LZVPWMJGCHBZGW-NWDGAFQWSA-N 1 0 393.372 2.929 20 0 GFADRO C[N@H+](Cc1ccc2c(c1)NC(=O)CO2)[C@@H](CO)c1cccc(Br)c1 ZINC000295297996 563241353 /nfs/dbraw/zinc/24/13/53/563241353.db2.gz JSBHFVDOLRWLAM-INIZCTEOSA-N 1 0 391.265 2.945 20 0 GFADRO Cc1cc(NC(=O)[C@H](C)N(C)C[C@@H](O)c2ccccc2Br)on1 ZINC000295322233 563241820 /nfs/dbraw/zinc/24/18/20/563241820.db2.gz MDOXKDAOPFSDAC-SMDDNHRTSA-N 1 0 382.258 2.738 20 0 GFADRO C[C@H](CNC(=O)C(=O)NCC1(C)CC[NH2+]CC1)c1c(Cl)cccc1Cl ZINC000419523466 563241871 /nfs/dbraw/zinc/24/18/71/563241871.db2.gz WHUODMDRBVNKHK-GFCCVEGCSA-N 1 0 386.323 2.719 20 0 GFADRO O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)c1cc(Br)c(F)cc1F ZINC000370444127 563243916 /nfs/dbraw/zinc/24/39/16/563243916.db2.gz IMBAUHXVJUXASQ-NSHDSACASA-N 1 0 389.240 2.710 20 0 GFADRO O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)C1(c2ccccc2Br)CC1 ZINC000370477290 563244913 /nfs/dbraw/zinc/24/49/13/563244913.db2.gz RFXOBEFXALWHBN-OAHLLOKOSA-N 1 0 393.325 2.850 20 0 GFADRO O=C(NC[C@@H]1CCC[N@H+](Cc2cccnc2)C1)c1cccnc1Br ZINC000370474077 563245032 /nfs/dbraw/zinc/24/50/32/563245032.db2.gz UPHZUQVCOHYYGP-HNNXBMFYSA-N 1 0 389.297 2.881 20 0 GFADRO CC1(C)[C@@H]2OCCC[C@H]2[C@@]1([NH3+])C(=O)NCc1ccc(F)cc1Br ZINC000370516794 563246507 /nfs/dbraw/zinc/24/65/07/563246507.db2.gz FNFVGQNCQPGQOG-SUYBPPKGSA-N 1 0 385.277 2.737 20 0 GFADRO Cc1c(CNC(=O)C(=O)N[C@H](C[NH3+])CC(C)C)sc2ccc(Cl)cc12 ZINC000419704695 563246656 /nfs/dbraw/zinc/24/66/56/563246656.db2.gz HZKVVDFUTPDWKI-ZDUSSCGKSA-N 1 0 381.929 2.969 20 0 GFADRO O=S(=O)(c1cccs1)N1CCC([NH2+]CCOCc2ccccc2)CC1 ZINC000370669375 563251642 /nfs/dbraw/zinc/25/16/42/563251642.db2.gz JZKZLIKIMSFTTK-UHFFFAOYSA-N 1 0 380.535 2.708 20 0 GFADRO CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000419862283 563252268 /nfs/dbraw/zinc/25/22/68/563252268.db2.gz QEKWINDWJHNTNQ-PBWFPOADSA-N 1 0 384.307 2.741 20 0 GFADRO CS(=O)(=O)CCC[NH2+]C1(c2cccc(OC(F)(F)F)c2)CCOCC1 ZINC000278431037 563255278 /nfs/dbraw/zinc/25/52/78/563255278.db2.gz UYEOYOQCDAMYTF-UHFFFAOYSA-N 1 0 381.416 2.615 20 0 GFADRO O=C(NCC[C@@H]1CCC[NH2+]C1)C1CCN(C(=O)c2ccc(Cl)s2)CC1 ZINC000370792965 563255738 /nfs/dbraw/zinc/25/57/38/563255738.db2.gz FODRODRCNMOYDP-ZDUSSCGKSA-N 1 0 383.945 2.760 20 0 GFADRO Cc1ccc(C(=O)N(C2CC2)C2CC[NH2+]CC2)cc1I ZINC000370789187 563255797 /nfs/dbraw/zinc/25/57/97/563255797.db2.gz UYGTXEOUPBRLGR-UHFFFAOYSA-N 1 0 384.261 2.956 20 0 GFADRO C[C@@H](Cc1ccc(Br)cc1)C(=O)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000295600644 563255909 /nfs/dbraw/zinc/25/59/09/563255909.db2.gz XBYOCNDCNSVBRX-WMLDXEAASA-N 1 0 383.330 2.591 20 0 GFADRO O=C(NC1CC[NH+](C[C@@H](O)COCc2cccs2)CC1)c1cccs1 ZINC000370811737 563256152 /nfs/dbraw/zinc/25/61/52/563256152.db2.gz YOPANZWLIIOZGV-OAHLLOKOSA-N 1 0 380.535 2.582 20 0 GFADRO CN(C(=O)c1ccc(Br)c(F)c1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000370842901 563256971 /nfs/dbraw/zinc/25/69/71/563256971.db2.gz QIXYXHOLYMWMQO-HNNXBMFYSA-N 1 0 398.320 2.829 20 0 GFADRO Brc1ccc(-c2nc(CN3CC[C@H](N4CC[NH2+]CC4)C3)co2)cc1 ZINC000420347529 563261892 /nfs/dbraw/zinc/26/18/92/563261892.db2.gz HDXIMDMGHAVXHD-KRWDZBQOSA-N 1 0 391.313 2.584 20 0 GFADRO CN(CC(=O)Nc1ccccc1Sc1ccc(Cl)cc1)C[C@@H](O)C[NH3+] ZINC000420349595 563261983 /nfs/dbraw/zinc/26/19/83/563261983.db2.gz DGNDUHXJTAGJJM-AWEZNQCLSA-N 1 0 379.913 2.681 20 0 GFADRO C[NH2+]CCN(C)[C@@H](C)C(=O)Nc1ccc(Br)cc1Br ZINC000420332307 563262040 /nfs/dbraw/zinc/26/20/40/563262040.db2.gz BMSZKBBLRPXOKF-VIFPVBQESA-N 1 0 393.123 2.690 20 0 GFADRO C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420408937 563262564 /nfs/dbraw/zinc/26/25/64/563262564.db2.gz QDMCCJQEQJEFDZ-IIAWOOMASA-N 1 0 382.346 2.713 20 0 GFADRO CC(C)(C)[C@@H](C[NH3+])NCc1nnnn1-c1ccc(Cl)cc1C(F)(F)F ZINC000420359179 563262779 /nfs/dbraw/zinc/26/27/79/563262779.db2.gz JMLWEYGHJCUALJ-GFCCVEGCSA-N 1 0 376.814 2.798 20 0 GFADRO O=S(=O)(c1ccc(Br)s1)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420454261 563263750 /nfs/dbraw/zinc/26/37/50/563263750.db2.gz DVWLQPYCHTVGNU-QWRGUYRKSA-N 1 0 379.345 2.663 20 0 GFADRO COc1c(Cl)cc(Cl)cc1C[NH2+]C[C@@H]1CCC[C@]12NC(=O)N(C)C2=O ZINC000371083919 563264304 /nfs/dbraw/zinc/26/43/04/563264304.db2.gz FCQGWFOBOQDIES-GTNSWQLSSA-N 1 0 386.279 2.812 20 0 GFADRO O=S(=O)(c1ccc(Br)cc1F)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420462988 563264366 /nfs/dbraw/zinc/26/43/66/563264366.db2.gz NMQKEMYCPSCLHQ-BXUZGUMPSA-N 1 0 391.306 2.741 20 0 GFADRO [NH3+][C@@H]1CN(S(=O)(=O)Cc2cc(Cl)ccc2F)C[C@H]1c1ccccc1F ZINC000420470471 563265172 /nfs/dbraw/zinc/26/51/72/563265172.db2.gz MLHDRTMYXUVJRF-WMLDXEAASA-N 1 0 386.851 2.875 20 0 GFADRO O=S(=O)(c1ccc(F)cc1C(F)(F)F)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420471145 563265184 /nfs/dbraw/zinc/26/51/84/563265184.db2.gz XWZNODSXCRPCQF-SMDDNHRTSA-N 1 0 380.407 2.997 20 0 GFADRO CN1CCC([NH+]2CCC(CCNC(=O)c3coc(Br)c3)CC2)CC1 ZINC000371091357 563265322 /nfs/dbraw/zinc/26/53/22/563265322.db2.gz VGWALNASCDOKKX-UHFFFAOYSA-N 1 0 398.345 2.968 20 0 GFADRO C[C@H]1CCN(S(=O)(=O)c2cccc(Br)c2Cl)C[C@H]1C[NH3+] ZINC000420477460 563265873 /nfs/dbraw/zinc/26/58/73/563265873.db2.gz JVIDJWRTBFAVSW-VHSXEESVSA-N 1 0 381.723 2.708 20 0 GFADRO [NH3+][C@@H]1CN(S(=O)(=O)Cc2ccc(Cl)c(F)c2)C[C@H]1c1cccc(F)c1 ZINC000420475079 563266090 /nfs/dbraw/zinc/26/60/90/563266090.db2.gz ZPNMOVCQWFHBHC-WMLDXEAASA-N 1 0 386.851 2.875 20 0 GFADRO C[N@@H+]1CC[C@@H](NC(=O)Cc2cc[nH]c(=O)c2Br)[C@H]1c1ccccc1 ZINC000278690596 563266939 /nfs/dbraw/zinc/26/69/39/563266939.db2.gz PRUPUMIYDGKVGS-RHSMWYFYSA-N 1 0 390.281 2.654 20 0 GFADRO O=C(c1cc(Br)c2c(c1)OCCO2)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000371234051 563268972 /nfs/dbraw/zinc/26/89/72/563268972.db2.gz BOJGLBKKPZZXNV-DOMZBBRYSA-N 1 0 395.297 2.825 20 0 GFADRO COC[C@H]([NH2+][C@H](C)C(=O)Nc1ccc(C)cc1Br)[C@H]1CCCO1 ZINC000278769855 563269688 /nfs/dbraw/zinc/26/96/88/563269688.db2.gz NPWVLTFESMWQKD-UHOFOFEASA-N 1 0 385.302 2.868 20 0 GFADRO CC[NH+]1CCN(CCC(=O)NC/C=C/c2ccc(Br)cc2)CC1 ZINC000295962906 563269831 /nfs/dbraw/zinc/26/98/31/563269831.db2.gz NIJDDDFGKOIOBE-ONEGZZNKSA-N 1 0 380.330 2.606 20 0 GFADRO O=C([C@@H](O)c1cc(Cl)cc(Cl)c1)N1CCC[N@@H+](C2CCOCC2)CC1 ZINC000371274575 563271010 /nfs/dbraw/zinc/27/10/10/563271010.db2.gz GCVZFGHRRJDHSN-KRWDZBQOSA-N 1 0 387.307 2.740 20 0 GFADRO C[NH+]1CCC2(CCCN2S(=O)(=O)c2sccc2Br)CC1 ZINC000371309666 563271213 /nfs/dbraw/zinc/27/12/13/563271213.db2.gz CESCFMLERTYCGC-UHFFFAOYSA-N 1 0 379.345 2.760 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2CC(=O)Nc1ccc(Br)cc1 ZINC000371294641 563271896 /nfs/dbraw/zinc/27/18/96/563271896.db2.gz MEKFIGUYDFSVQH-ZACQAIPSSA-N 1 0 396.329 2.571 20 0 GFADRO O=S(=O)(N[C@@H]1CC[N@@H+](C2CCCC2)C1)c1cc(F)ccc1OC(F)F ZINC000420674438 563272485 /nfs/dbraw/zinc/27/24/85/563272485.db2.gz ICNNHDBRGAOPOL-GFCCVEGCSA-N 1 0 378.416 2.722 20 0 GFADRO NC(=O)[C@H]([NH2+][C@@H]1CCCN(c2ccccn2)C1)c1ccc(Br)cc1 ZINC000371310811 563272507 /nfs/dbraw/zinc/27/25/07/563272507.db2.gz OYRVAIGKIQEGCR-NVXWUHKLSA-N 1 0 389.297 2.629 20 0 GFADRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)S(=O)(=O)c1cc(Cl)ccc1OC(F)F ZINC000420670947 563272524 /nfs/dbraw/zinc/27/25/24/563272524.db2.gz IQVJMCHZSDEDLU-PWSUYJOCSA-N 1 0 382.860 2.902 20 0 GFADRO CCn1nc2c(cc1=O)CN(Cc1cc(Br)c(OC)s1)CC2 ZINC000371332854 563272970 /nfs/dbraw/zinc/27/29/70/563272970.db2.gz BIOOKWDFICLXSO-UHFFFAOYSA-N 1 0 384.299 2.654 20 0 GFADRO Cc1cc(OC[C@@H](O)C[NH2+]CCCS(C)(=O)=O)c(C(C)C)cc1Cl ZINC000296066601 563273631 /nfs/dbraw/zinc/27/36/31/563273631.db2.gz XQQFAKGHUJSZBN-AWEZNQCLSA-N 1 0 377.934 2.536 20 0 GFADRO C[N@@H+]1CCC[C@@H](N2CCN(CCOc3ccccc3Br)CC2)C1 ZINC000371360708 563274229 /nfs/dbraw/zinc/27/42/29/563274229.db2.gz IYPKKFQIWYBVSA-MRXNPFEDSA-N 1 0 382.346 2.540 20 0 GFADRO Cn1ncc(Br)c1C[NH2+]CCc1ccc(OCC(F)(F)F)nc1 ZINC000278875987 563274615 /nfs/dbraw/zinc/27/46/15/563274615.db2.gz ZAUFLQLEMQOPHB-UHFFFAOYSA-N 1 0 393.207 2.851 20 0 GFADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)c1ccc(F)cc1Br ZINC000278942150 563276522 /nfs/dbraw/zinc/27/65/22/563276522.db2.gz XQXQQTBXQHGRQN-LBPRGKRZSA-N 1 0 385.277 2.914 20 0 GFADRO C[C@H]([NH2+]C[C@@H]1CCC[C@@]12NC(=O)N(C)C2=O)c1ccc(F)cc1Br ZINC000371479519 563278225 /nfs/dbraw/zinc/27/82/25/563278225.db2.gz HOTBHELHOXXPSA-PSVSLLHZSA-N 1 0 398.276 2.959 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2Cc1cnc2ccc(Br)cn12 ZINC000371470953 563278530 /nfs/dbraw/zinc/27/85/30/563278530.db2.gz PTKAKHBOEHHRAF-PVAVHDDUSA-N 1 0 393.329 2.780 20 0 GFADRO COc1c(Cl)cc(NC(=O)N[C@H]2CCC[N@H+](CCCO)C2)cc1Cl ZINC000296226094 563279662 /nfs/dbraw/zinc/27/96/62/563279662.db2.gz ANCREVJDHYLPRF-NSHDSACASA-N 1 0 376.284 2.970 20 0 GFADRO CN(C[C@@H]1CCC[N@@H+]1C)S(=O)(=O)c1ccc(Cl)cc1Br ZINC000420737806 563281053 /nfs/dbraw/zinc/28/10/53/563281053.db2.gz MXFCVGBUQGSEJT-NSHDSACASA-N 1 0 381.723 2.817 20 0 GFADRO CN(C[C@H]1CCC[N@@H+]1C)S(=O)(=O)c1c(Cl)cc(F)cc1Br ZINC000420742473 563281764 /nfs/dbraw/zinc/28/17/64/563281764.db2.gz UZSOYLMTTIMDLV-SNVBAGLBSA-N 1 0 399.713 2.956 20 0 GFADRO CC[C@H]([NH2+][C@@H](C)c1ccc(S(=O)(=O)C(F)F)c(OC)c1)[C@@H](O)C(F)F ZINC000296284016 563282593 /nfs/dbraw/zinc/28/25/93/563282593.db2.gz FDEUICZZFOLJNA-GMOODISLSA-N 1 0 387.395 2.747 20 0 GFADRO Cc1cccc(S(=O)(=O)NC2CCC([NH+](C)C)CC2)c1Br ZINC000420751731 563283540 /nfs/dbraw/zinc/28/35/40/563283540.db2.gz XHPYFOLPDMXQHO-UHFFFAOYSA-N 1 0 375.332 2.909 20 0 GFADRO CNC(=O)CN1CCC([NH2+]Cc2cc(Cl)c(C)cc2Br)CC1 ZINC000296364760 563284714 /nfs/dbraw/zinc/28/47/14/563284714.db2.gz JPSMLYMBAJXYFR-UHFFFAOYSA-N 1 0 388.737 2.711 20 0 GFADRO CCOc1ccc(S(=O)(=O)N(C)C[C@@H]2CCC[N@@H+]2C)cc1Br ZINC000420773763 563285443 /nfs/dbraw/zinc/28/54/43/563285443.db2.gz XSWGQMLLGZHZBP-LBPRGKRZSA-N 1 0 391.331 2.563 20 0 GFADRO COc1cc(/C=C/C(=O)N2CC[C@@H]3CC[N@H+](C)[C@H]3C2)cc(Br)c1O ZINC000371834848 563288940 /nfs/dbraw/zinc/28/89/40/563288940.db2.gz NSMOPTVXOPCUQX-CSDYLXSXSA-N 1 0 395.297 2.729 20 0 GFADRO O=S(=O)(c1c(F)c(F)cc(F)c1F)N1CCC([NH+]2CCCCC2)CC1 ZINC000279247283 563289170 /nfs/dbraw/zinc/28/91/70/563289170.db2.gz KWFRZZRFJCILLR-UHFFFAOYSA-N 1 0 380.407 2.882 20 0 GFADRO C[NH+](C)C1CCC(NC(=O)N[C@@H](CO)c2ccc(Br)cc2)CC1 ZINC000420891408 563289560 /nfs/dbraw/zinc/28/95/60/563289560.db2.gz MRSOGFUSHHXWAC-GPANFISMSA-N 1 0 384.318 2.655 20 0 GFADRO C[C@]1(C2CC[NH+](CCOc3ccc(Cl)cc3Cl)CC2)NC(=O)NC1=O ZINC000371843964 563289743 /nfs/dbraw/zinc/28/97/43/563289743.db2.gz GQTSEKZMENMZHH-QGZVFWFLSA-N 1 0 386.279 2.682 20 0 GFADRO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1cc(Cl)c(F)cc1Br ZINC000296592662 563293491 /nfs/dbraw/zinc/29/34/91/563293491.db2.gz SDXSNUXNFPYYMX-JTQLQIEISA-N 1 0 393.684 2.818 20 0 GFADRO C[C@H]1C[N@H+](CCCNC(=O)c2c(F)ccc(Br)c2F)CCCO1 ZINC000279371083 563294673 /nfs/dbraw/zinc/29/46/73/563294673.db2.gz WUNDJKDZMCCOHN-NSHDSACASA-N 1 0 391.256 2.958 20 0 GFADRO O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)c1[nH]c2ccccc2c1Br ZINC000372110351 563295572 /nfs/dbraw/zinc/29/55/72/563295572.db2.gz CIPMTYBRFBNHGR-CYBMUJFWSA-N 1 0 392.297 2.914 20 0 GFADRO C[NH+](C)[C@@H](CNc1cc(S(=O)(=O)N2CCCC2)ccn1)c1cccs1 ZINC000279473433 563297429 /nfs/dbraw/zinc/29/74/29/563297429.db2.gz NENHBDPCISXUAN-HNNXBMFYSA-N 1 0 380.539 2.642 20 0 GFADRO O=C(NC1CC[NH+](C2CCC2)CC1)c1cc(Br)c2c(c1)OCCO2 ZINC000296774371 563300821 /nfs/dbraw/zinc/30/08/21/563300821.db2.gz ANOHQKBUHDKVMW-UHFFFAOYSA-N 1 0 395.297 2.967 20 0 GFADRO CSC[C@H](CCO)NC(=O)C1CC[NH+](Cc2ccc(Cl)s2)CC1 ZINC000372323029 563302507 /nfs/dbraw/zinc/30/25/07/563302507.db2.gz BIXXUOKZXBZHFZ-ZDUSSCGKSA-N 1 0 376.975 2.844 20 0 GFADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+]C[C@@H]1CCSC1 ZINC000296846735 563305035 /nfs/dbraw/zinc/30/50/35/563305035.db2.gz OMQZUVAWNIVRDV-NEPJUHHUSA-N 1 0 387.343 2.805 20 0 GFADRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000421300805 563306540 /nfs/dbraw/zinc/30/65/40/563306540.db2.gz OZYPOWVIDMEWCO-LLVKDONJSA-N 1 0 377.794 2.850 20 0 GFADRO CN(CC1CCN(c2cc[nH+]cc2)CC1)S(=O)(=O)c1cncc(Cl)c1 ZINC000372449025 563307163 /nfs/dbraw/zinc/30/71/63/563307163.db2.gz DQQXZSZIBHTGCL-UHFFFAOYSA-N 1 0 380.901 2.667 20 0 GFADRO Cc1cccc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1I ZINC000296908688 563307774 /nfs/dbraw/zinc/30/77/74/563307774.db2.gz HLYOAMKLKQOJQY-YHWZYXNKSA-N 1 0 384.261 2.955 20 0 GFADRO O=C(CCCCOc1ccc(Br)cc1)NCC[NH+]1CCC(O)CC1 ZINC000296915087 563308127 /nfs/dbraw/zinc/30/81/27/563308127.db2.gz LHDFYENXIOVISK-UHFFFAOYSA-N 1 0 399.329 2.571 20 0 GFADRO CN(C)[C@@H](CNC(=O)Nc1nc2cc(Br)ccn2n1)c1ccco1 ZINC000296924820 563308349 /nfs/dbraw/zinc/30/83/49/563308349.db2.gz CIDZQTWDKZHIGW-NSHDSACASA-N 1 0 393.245 2.509 20 0 GFADRO CC(=O)N[C@H]1CC[N@H+](Cc2c(C)nn(-c3ccc(Br)cc3)c2C)C1 ZINC000421397826 563309241 /nfs/dbraw/zinc/30/92/41/563309241.db2.gz XWOQWAMIOJOGSA-INIZCTEOSA-N 1 0 391.313 2.962 20 0 GFADRO Cc1cc(CCC(=O)N2CCC[N@H+](CC(C)(C)O)CC2)ccc1Br ZINC000372543507 563309932 /nfs/dbraw/zinc/30/99/32/563309932.db2.gz DYIOGPSCIBREJP-UHFFFAOYSA-N 1 0 397.357 2.995 20 0 GFADRO CC(=O)N1CCC[C@@H](C[NH2+]Cc2cn(-c3ccc(Cl)c(Cl)c3)nn2)C1 ZINC000279841057 563312362 /nfs/dbraw/zinc/31/23/62/563312362.db2.gz QXXWJDAFSJZFPT-ZDUSSCGKSA-N 1 0 382.295 2.922 20 0 GFADRO CC[C@@H](C)[NH+]1CCN(C(=O)C[C@@](O)(c2nc(C)cs2)C(F)(F)F)CC1 ZINC000297053060 563314210 /nfs/dbraw/zinc/31/42/10/563314210.db2.gz UGODDTXUMDMPNJ-IUODEOHRSA-N 1 0 379.448 2.534 20 0 GFADRO COCC1(C(=O)Nc2ccc(N3CCSCC3)c(Cl)c2)CC[NH2+]CC1 ZINC000279917003 563314509 /nfs/dbraw/zinc/31/45/09/563314509.db2.gz MPXHZBZSPRGCBN-UHFFFAOYSA-N 1 0 383.945 2.848 20 0 GFADRO C[NH+](C)CCn1nccc1NC(=O)NC[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000297157700 563318383 /nfs/dbraw/zinc/31/83/83/563318383.db2.gz GPPXFKPTDNSPRF-AWEZNQCLSA-N 1 0 386.283 2.607 20 0 GFADRO [NH3+][C@H]1CN(C(=O)c2ccc(Br)cn2)CC[C@@H]1c1ccc(F)cc1 ZINC000297202324 563319408 /nfs/dbraw/zinc/31/94/08/563319408.db2.gz MUENUEFLRIHLAV-CABCVRRESA-N 1 0 378.245 2.940 20 0 GFADRO CC(C)[N@H+](C)CCCNC(=O)C(=O)Nc1cc(F)cc(Br)c1F ZINC000280031279 563319605 /nfs/dbraw/zinc/31/96/05/563319605.db2.gz YWJHZDLLLRABJK-UHFFFAOYSA-N 1 0 392.244 2.512 20 0 GFADRO C[NH+](C)[C@@H]1CCCN(C(=O)c2csc(I)c2)CC1 ZINC000372874036 563320804 /nfs/dbraw/zinc/32/08/04/563320804.db2.gz VNGXDLHMZASXBA-LLVKDONJSA-N 1 0 378.279 2.909 20 0 GFADRO O=C(NC[C@H](CO)Cc1ccccc1Br)[C@@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC000372873878 563320868 /nfs/dbraw/zinc/32/08/68/563320868.db2.gz SVNGPQUSCUALIE-DJIMGWMZSA-N 1 0 395.341 2.591 20 0 GFADRO CC[NH+]1CCC(N[C@@H](C)c2cc(S(N)(=O)=O)c(Cl)cc2Cl)CC1 ZINC000280066046 563321207 /nfs/dbraw/zinc/32/12/07/563321207.db2.gz KTHQABUJWYHHJK-JTQLQIEISA-N 1 0 380.341 2.776 20 0 GFADRO C[C@@H](NC[C@@H]1CC[N@@H+](C2CC2)C1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000280095527 563322194 /nfs/dbraw/zinc/32/21/94/563322194.db2.gz MSWDXMKDOCKDJB-MNOVXSKESA-N 1 0 392.352 2.776 20 0 GFADRO CC1(C)[C@@H]2OCCC[C@H]2[C@@]1([NH3+])C(=O)N1CCc2cccc(Br)c2C1 ZINC000372898268 563322300 /nfs/dbraw/zinc/32/23/00/563322300.db2.gz CLBXRVZMEFOLHC-IDHHARJASA-N 1 0 393.325 2.866 20 0 GFADRO CN(CC1(O)CCOCC1)C(=O)C1CC[NH+](Cc2ccc(Cl)s2)CC1 ZINC000372930156 563322963 /nfs/dbraw/zinc/32/29/63/563322963.db2.gz SOFMSBIBGSBLQO-UHFFFAOYSA-N 1 0 386.945 2.613 20 0 GFADRO O=C(NC[C@H](CO)Cc1cccc(Br)c1)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC000372936282 563323030 /nfs/dbraw/zinc/32/30/30/563323030.db2.gz VQYGIXRYWSFVSB-NUJGCVRESA-N 1 0 395.341 2.591 20 0 GFADRO Cc1cc(C[NH2+][C@H](C)c2ccc(Br)c(S(N)(=O)=O)c2)cc(C)n1 ZINC000421857921 563323371 /nfs/dbraw/zinc/32/33/71/563323371.db2.gz PUOGMVBOAPVQLI-GFCCVEGCSA-N 1 0 398.326 2.959 20 0 GFADRO C[C@H]([NH2+]CCCC(C)(F)F)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000297368574 563324967 /nfs/dbraw/zinc/32/49/67/563324967.db2.gz QICHZXBAMYEYRJ-AWEZNQCLSA-N 1 0 376.469 2.794 20 0 GFADRO C[C@H](NCC1([NH+](C)C)CCC1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000280184276 563326596 /nfs/dbraw/zinc/32/65/96/563326596.db2.gz RUWGRUDGOTXIOW-JTQLQIEISA-N 1 0 380.341 2.776 20 0 GFADRO Cn1nc(Br)cc1C(=O)N1C[C@H]2C[N@H+](C)[C@@H](c3ccccc3)[C@@H]2C1 ZINC000373038849 563327282 /nfs/dbraw/zinc/32/72/82/563327282.db2.gz XEJKEGVEKSSWKR-CPUCHLNUSA-N 1 0 389.297 2.558 20 0 GFADRO CC(=O)N[C@H](CC(=O)N(C)C[C@H]1CCC[N@@H+]1C)c1ccc(Br)cc1 ZINC000422013309 563327590 /nfs/dbraw/zinc/32/75/90/563327590.db2.gz CUCRGQYRAJCVKA-IAGOWNOFSA-N 1 0 396.329 2.569 20 0 GFADRO CCOc1c(Br)cc(C[NH2+]C[C@H](CO)[C@@H]2CCOC2)cc1OC ZINC000280267770 563329506 /nfs/dbraw/zinc/32/95/06/563329506.db2.gz KKTPQLQDBBYIBM-ZIAGYGMSSA-N 1 0 388.302 2.591 20 0 GFADRO Cc1ccc(C(=O)N2CCC3(C2)CC[NH2+]CC3)cc1I ZINC000373149541 563329660 /nfs/dbraw/zinc/32/96/60/563329660.db2.gz AFMKHXWVLHLHLB-UHFFFAOYSA-N 1 0 384.261 2.815 20 0 GFADRO C[C@H](CO)[N@@H+]1CCCN(C(=O)Nc2cc3c(cc2Br)CCC3)CC1 ZINC000373163243 563330353 /nfs/dbraw/zinc/33/03/53/563330353.db2.gz KAARLFROTDULNM-CYBMUJFWSA-N 1 0 396.329 2.858 20 0 GFADRO COC(=O)c1cc(NC(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)ccc1Br ZINC000373220649 563332101 /nfs/dbraw/zinc/33/21/01/563332101.db2.gz XQAAAPQDPFYYDD-STQMWFEESA-N 1 0 396.285 2.984 20 0 GFADRO C[NH+]1CCC(n2ccc(NC(=O)Cc3cccc(Br)c3)n2)CC1 ZINC000373232456 563332550 /nfs/dbraw/zinc/33/25/50/563332550.db2.gz UPUVFZKFTJPDNV-UHFFFAOYSA-N 1 0 377.286 3.094 20 0 GFADRO O=C(Nc1cccc2c1C[N@@H+](C1CC1)C2)c1nc2ncc(Br)cn2n1 ZINC000373265269 563333471 /nfs/dbraw/zinc/33/34/71/563333471.db2.gz IWEPDQZUGNPSCI-UHFFFAOYSA-N 1 0 399.252 2.617 20 0 GFADRO CC[NH+](CC)[C@H]1CCN(C(=O)NCCCCn2cc(Br)cn2)C1 ZINC000280419668 563336159 /nfs/dbraw/zinc/33/61/59/563336159.db2.gz PILFZMLMIZZPFD-HNNXBMFYSA-N 1 0 386.338 2.552 20 0 GFADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)c1cc(F)c(Br)cc1Cl ZINC000280461863 563338653 /nfs/dbraw/zinc/33/86/53/563338653.db2.gz HJJMVIURLRJQKZ-JTQLQIEISA-N 1 0 392.700 2.607 20 0 GFADRO CC(C)[NH2+]C1CCN(C(=O)C(=O)N(C)Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000297885926 563338804 /nfs/dbraw/zinc/33/88/04/563338804.db2.gz QHELBHLGJRNKAF-UHFFFAOYSA-N 1 0 386.323 2.941 20 0 GFADRO C[C@@H]1C[C@H](C)N(S(=O)(=O)c2cc(Br)ccc2F)C[C@@H]1C[NH3+] ZINC000422558667 563343251 /nfs/dbraw/zinc/34/32/51/563343251.db2.gz ZGVHLWTXSGFRLY-VWYCJHECSA-N 1 0 379.295 2.582 20 0 GFADRO CC(C)(CC[NH3+])NC(=O)Nc1cc(Br)cc(C(=O)N2CCCC2)c1 ZINC000422565393 563343310 /nfs/dbraw/zinc/34/33/10/563343310.db2.gz LVVWIQXPHPAXAE-UHFFFAOYSA-N 1 0 397.317 2.934 20 0 GFADRO CC(C)[C@H](CNC(=O)C(=O)Nc1cc(Cl)c(N)c(Cl)c1)[NH+]1CCCC1 ZINC000298058846 563343681 /nfs/dbraw/zinc/34/36/81/563343681.db2.gz IQRPMDIUFLXMFC-AWEZNQCLSA-N 1 0 387.311 2.751 20 0 GFADRO C[C@H]1CN(c2ccccc2C[NH2+]CCn2cc(Br)cn2)CCO1 ZINC000298103734 563345029 /nfs/dbraw/zinc/34/50/29/563345029.db2.gz NRUBKGBBHQCZFS-AWEZNQCLSA-N 1 0 379.302 2.661 20 0 GFADRO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C(=O)NC1CCC([NH+](C)C)CC1 ZINC000422641612 563346110 /nfs/dbraw/zinc/34/61/10/563346110.db2.gz YBGZPHCRPXHWAH-UHFFFAOYSA-N 1 0 386.323 2.941 20 0 GFADRO CN(C[C@H](O)c1cccc(Br)c1)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000298177581 563346853 /nfs/dbraw/zinc/34/68/53/563346853.db2.gz GGYYTZOWZDXNCA-IKGGRYGDSA-N 1 0 396.329 2.751 20 0 GFADRO Cc1onc(-c2cccc(Cl)c2Cl)c1C(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000280659541 563348256 /nfs/dbraw/zinc/34/82/56/563348256.db2.gz FKZAALLIMSTHAW-QGZVFWFLSA-N 1 0 386.279 2.999 20 0 GFADRO O=C(NCC[N@H+]1CC=CCC1)C1CCN(C(=O)c2ccc(Cl)s2)CC1 ZINC000373757529 563349482 /nfs/dbraw/zinc/34/94/82/563349482.db2.gz ATLAFNGKSRXTJZ-UHFFFAOYSA-N 1 0 381.929 2.632 20 0 GFADRO O=C(Nc1ccc(I)cc1)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000422906811 563350559 /nfs/dbraw/zinc/35/05/59/563350559.db2.gz KLFQAFVZDYYYEU-CQSZACIVSA-N 1 0 396.232 2.665 20 0 GFADRO FC(F)Oc1ccc(Br)cc1CN[C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000422944295 563351310 /nfs/dbraw/zinc/35/13/10/563351310.db2.gz LIIZCOFCJISMTM-CABCVRRESA-N 1 0 391.256 2.907 20 0 GFADRO Brc1ccc2[nH]cc(CC[NH2+][C@@H](C3CC3)[C@@H]3CNCCO3)c2c1 ZINC000423034262 563353251 /nfs/dbraw/zinc/35/32/51/563353251.db2.gz PQSCFEDZNQDMBD-ROUUACIJSA-N 1 0 378.314 2.830 20 0 GFADRO COc1ccc([C@H](NCc2ccc(S(C)(=O)=O)s2)[C@H]2CCC[NH2+]2)cc1 ZINC000423071077 563353994 /nfs/dbraw/zinc/35/39/94/563353994.db2.gz NZSDEYSIMHZGHE-AEFFLSMTSA-N 1 0 380.535 2.743 20 0 GFADRO Cc1nn(CCS(C)(=O)=O)c(C)c1C[N@H+]1C[C@@H](c2cccs2)C[C@H]1C ZINC000373900361 563355008 /nfs/dbraw/zinc/35/50/08/563355008.db2.gz QBMFOQOIXJQRPI-CJNGLKHVSA-N 1 0 381.567 2.984 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)[C@H]1C[C@H](C)CC[NH2+]1 ZINC000423122534 563355918 /nfs/dbraw/zinc/35/59/18/563355918.db2.gz JTFNZPSHLFGJIN-IAQYHMDHSA-N 1 0 382.302 2.590 20 0 GFADRO CC[C@@H](NC[C@H](CO)Cc1cc(Br)ccc1OC)[C@@H]1CCC[NH2+]1 ZINC000423155460 563357117 /nfs/dbraw/zinc/35/71/17/563357117.db2.gz LCXRANFPOAQRIO-XYPHTWIQSA-N 1 0 385.346 2.729 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)[C@@H](C(C)C)[C@@H](C)[NH3+] ZINC000423130886 563357182 /nfs/dbraw/zinc/35/71/82/563357182.db2.gz SJXOFINHZGAVKB-WBMJQRKESA-N 1 0 384.318 2.822 20 0 GFADRO CN(Cc1cccs1)C(=O)C[NH2+][C@](C)(CO)c1ccc(Br)cc1 ZINC000298504839 563357330 /nfs/dbraw/zinc/35/73/30/563357330.db2.gz KHSSMDSXPQKLMD-QGZVFWFLSA-N 1 0 397.338 2.966 20 0 GFADRO O[C@H](COc1ccc(F)cc1)C[NH+]1CCC(n2cc(Br)cn2)CC1 ZINC000374011022 563358164 /nfs/dbraw/zinc/35/81/64/563358164.db2.gz SXYVEOQJOCUSPQ-INIZCTEOSA-N 1 0 398.276 2.862 20 0 GFADRO COC[C@@]1(C(=O)NC[C@H](C)Sc2ccc(Br)cc2)CC[NH2+]C1 ZINC000423177420 563358406 /nfs/dbraw/zinc/35/84/06/563358406.db2.gz DWWPECVEGJDWCY-BLLLJJGKSA-N 1 0 387.343 2.672 20 0 GFADRO CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000423184102 563358429 /nfs/dbraw/zinc/35/84/29/563358429.db2.gz MWGQJHDPAYDKDX-TZMCWYRMSA-N 1 0 386.323 2.785 20 0 GFADRO CC[C@H](CNC(=O)[C@]1(COC)CC[NH2+]C1)Cc1cccc(Br)c1 ZINC000423215643 563358579 /nfs/dbraw/zinc/35/85/79/563358579.db2.gz QYWVLGGRBYKMNH-KBXCAEBGSA-N 1 0 383.330 2.760 20 0 GFADRO CC(C)C[C@H](C[NH3+])N[C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000423260412 563359316 /nfs/dbraw/zinc/35/93/16/563359316.db2.gz HJHLSKSNUKTFBZ-TZMCWYRMSA-N 1 0 375.332 2.631 20 0 GFADRO CC[NH2+]CCN[C@H](c1nccn1CC)c1ccc(I)cc1 ZINC000423243399 563359692 /nfs/dbraw/zinc/35/96/92/563359692.db2.gz KHNAJBVYUQGDHN-HNNXBMFYSA-N 1 0 398.292 2.796 20 0 GFADRO C[C@@H](NC(=O)[C@H]([NH3+])C1CCC1)c1nc(-c2ccc(Br)cc2)no1 ZINC000423296795 563359724 /nfs/dbraw/zinc/35/97/24/563359724.db2.gz ZWBMDWMYCVSDGJ-NOZJJQNGSA-N 1 0 379.258 2.804 20 0 GFADRO [NH3+]CC1(CC(=O)Nc2ccc(CCn3cc(Br)cn3)cc2)CC1 ZINC000423241525 563359728 /nfs/dbraw/zinc/35/97/28/563359728.db2.gz YCUFNZYIPWLUEG-UHFFFAOYSA-N 1 0 377.286 2.956 20 0 GFADRO CC(C)C(=O)NC1CC[NH+](C[C@@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000298567366 563360437 /nfs/dbraw/zinc/36/04/37/563360437.db2.gz NDZMKXQEPCGSOG-OAHLLOKOSA-N 1 0 389.323 2.970 20 0 GFADRO CCn1ccnc1[C@@H](N[C@@H](C)C[NH3+])c1ccc(I)cc1 ZINC000423377635 563360492 /nfs/dbraw/zinc/36/04/92/563360492.db2.gz VWLMGFQRTDQQJU-FZMZJTMJSA-N 1 0 384.265 2.534 20 0 GFADRO NC(=O)c1ccc(NC(=O)CC[N@@H+]2CCSC[C@H]2c2cccs2)cc1 ZINC000374106136 563361873 /nfs/dbraw/zinc/36/18/73/563361873.db2.gz IEAYVJHPWMFYNL-HNNXBMFYSA-N 1 0 375.519 2.966 20 0 GFADRO C[C@H]1c2cc(Cl)c(Cl)cc2CCN1C(=O)C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000423549367 563362112 /nfs/dbraw/zinc/36/21/12/563362112.db2.gz DENCFOCGSVQVEI-VOJFVSQTSA-N 1 0 384.307 2.636 20 0 GFADRO C[C@H]([NH3+])C1CCN(C(=O)C(=O)N(C)[C@@H](C)c2ccccc2Br)CC1 ZINC000423559225 563362250 /nfs/dbraw/zinc/36/22/50/563362250.db2.gz JNKHZGRROVJRHU-STQMWFEESA-N 1 0 396.329 2.554 20 0 GFADRO [NH3+][C@@H]1CCCN(C(=O)C(=O)N2CCC(c3ccc(Cl)cc3Cl)CC2)C1 ZINC000423641873 563362696 /nfs/dbraw/zinc/36/26/96/563362696.db2.gz LBLRCGSWGATKQT-CQSZACIVSA-N 1 0 384.307 2.649 20 0 GFADRO CC1(C)C[NH2+]CC[C@H]1NC(=O)c1cn(-c2ccc(Br)cc2)cn1 ZINC000423749618 563363561 /nfs/dbraw/zinc/36/35/61/563363561.db2.gz SXMNRRXSVVJJLL-OAHLLOKOSA-N 1 0 377.286 2.753 20 0 GFADRO COC[C@]1(C(=O)NCc2ccc(Br)cc2C(F)(F)F)CC[NH2+]C1 ZINC000423754576 563363627 /nfs/dbraw/zinc/36/36/27/563363627.db2.gz ZCLYTLDWKBPXIT-AWEZNQCLSA-N 1 0 395.219 2.710 20 0 GFADRO C[C@H]([NH2+]CC1([S@@](C)=O)CCC1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000281007323 563363760 /nfs/dbraw/zinc/36/37/60/563363760.db2.gz LDOFDNHYTWGDQP-GTUYJWLHSA-N 1 0 399.365 2.593 20 0 GFADRO COC[C@@]1(C(=O)N2CCC(c3ccccc3Br)CC2)CC[NH2+]C1 ZINC000423847232 563364219 /nfs/dbraw/zinc/36/42/19/563364219.db2.gz MFAONWRKENDZPW-GOSISDBHSA-N 1 0 381.314 2.781 20 0 GFADRO Cc1cc(N2CC[C@H](NC(=O)[C@@H](C(C)C)[C@@H](C)[NH3+])C2=O)ccc1Br ZINC000423845719 563364241 /nfs/dbraw/zinc/36/42/41/563364241.db2.gz OMQGHZMNLXQRJH-KCXAZCMYSA-N 1 0 396.329 2.598 20 0 GFADRO [NH2+]=C(NO)[C@H]1CCCCN1Cc1nc(-c2cccc(Br)c2)no1 ZINC000374178835 563364551 /nfs/dbraw/zinc/36/45/51/563364551.db2.gz XSCODXSCCBFCQT-GFCCVEGCSA-N 1 0 380.246 2.810 20 0 GFADRO O=S(=O)(c1ccc(F)cc1C(F)(F)F)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000374181513 563364604 /nfs/dbraw/zinc/36/46/04/563364604.db2.gz CERJUUCLXSCMTB-CQSZACIVSA-N 1 0 380.407 2.997 20 0 GFADRO Cc1c(C(=O)N(C)[C@H](C[NH3+])C2CC2)cnn1-c1cccc(Br)c1 ZINC000423948823 563365187 /nfs/dbraw/zinc/36/51/87/563365187.db2.gz LXHOQZZTVHWTMR-MRXNPFEDSA-N 1 0 377.286 2.753 20 0 GFADRO CSC1(C[NH2+][C@H](C)c2ccc(Br)c(S(N)(=O)=O)c2)CC1 ZINC000281107188 563366240 /nfs/dbraw/zinc/36/62/40/563366240.db2.gz LOOBLWKZOZWCRC-SECBINFHSA-N 1 0 379.345 2.643 20 0 GFADRO O=C(c1csc(I)c1)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000423980739 563366535 /nfs/dbraw/zinc/36/65/35/563366535.db2.gz SJIRDGZHMQPVMR-ZYHUDNBSSA-N 1 0 390.290 2.957 20 0 GFADRO C[C@@H]1CCN(C(=O)[C@@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)C[C@H]1C[NH3+] ZINC000424017075 563366853 /nfs/dbraw/zinc/36/68/53/563366853.db2.gz OPMXDSAHCZRECA-BZPMIXESSA-N 1 0 384.307 2.790 20 0 GFADRO C[NH+]1CCN(c2ccc(Br)cc2NC(=O)COCC2CC2)CC1 ZINC000298813549 563367399 /nfs/dbraw/zinc/36/73/99/563367399.db2.gz PVMSBAYVHZDDRN-UHFFFAOYSA-N 1 0 382.302 2.566 20 0 GFADRO C[C@H]1CCN(C(=O)c2cnn(-c3ccc(Br)cc3)c2)C[C@@H]1C[NH3+] ZINC000424024532 563367849 /nfs/dbraw/zinc/36/78/49/563367849.db2.gz WDLANZCKGFFFGZ-STQMWFEESA-N 1 0 377.286 2.692 20 0 GFADRO COc1ccccc1[C@H]1CN(C(=O)c2ccncc2Br)CCN1 ZINC000374335773 563368386 /nfs/dbraw/zinc/36/83/86/563368386.db2.gz ZDTMCJKXWWXMCR-OAHLLOKOSA-N 1 0 376.254 2.639 20 0 GFADRO C[C@@H]([NH2+]C[C@@H]1CCn2ncc(C(N)=O)c2C1)c1ccc(F)c(Br)c1 ZINC000281205841 563369654 /nfs/dbraw/zinc/36/96/54/563369654.db2.gz SIDYVVPCMMOSIP-GHMZBOCLSA-N 1 0 395.276 2.797 20 0 GFADRO C[C@@H]1C[C@@H](C)N(C(=O)Cc2ccc(I)cc2)C[C@H]1C[NH3+] ZINC000424082135 563370066 /nfs/dbraw/zinc/37/00/66/563370066.db2.gz XHMXFUWDBQFVED-YRGRVCCFSA-N 1 0 386.277 2.666 20 0 GFADRO CCOC[C@@H]([NH2+][C@H](C)c1ccc(Br)c(S(N)(=O)=O)c1)C(C)C ZINC000281270633 563371344 /nfs/dbraw/zinc/37/13/44/563371344.db2.gz YONXCFJBXFZFJJ-BXUZGUMPSA-N 1 0 393.347 2.808 20 0 GFADRO [NH3+][C@@H]1C[C@@H]1C(=O)N(Cc1ccccn1)Cc1ccc(Br)cc1F ZINC000424187899 563372250 /nfs/dbraw/zinc/37/22/50/563372250.db2.gz IZTQWKDVPRQQLF-GOEBONIOSA-N 1 0 378.245 2.859 20 0 GFADRO O=C(COc1ccc(Br)cc1F)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000374438811 563372716 /nfs/dbraw/zinc/37/27/16/563372716.db2.gz SOXNXDSFTWZBHB-HNNXBMFYSA-N 1 0 385.277 2.958 20 0 GFADRO O=CN1CCC([NH2+][C@H](CO)c2ccc(Br)cc2C(F)(F)F)CC1 ZINC000281299599 563372846 /nfs/dbraw/zinc/37/28/46/563372846.db2.gz YNSPHRZVWFJVRZ-CQSZACIVSA-N 1 0 395.219 2.712 20 0 GFADRO Cc1cccc(C(=O)N2CCC3(C2)CC[NH2+]CC3)c1I ZINC000374504206 563374303 /nfs/dbraw/zinc/37/43/03/563374303.db2.gz JMHPWQABXRUCBP-UHFFFAOYSA-N 1 0 384.261 2.815 20 0 GFADRO C[C@H]([NH2+]CCCCS(C)(=O)=O)c1ccc(F)c(I)c1 ZINC000424292535 563375718 /nfs/dbraw/zinc/37/57/18/563375718.db2.gz GYHOZOHPRDQZFI-JTQLQIEISA-N 1 0 399.269 2.906 20 0 GFADRO COC(=O)CC1CC([NH2+]Cc2ccc(S(C)(=O)=O)c(C(F)(F)F)c2)C1 ZINC000424282190 563375832 /nfs/dbraw/zinc/37/58/32/563375832.db2.gz PGOMGTHVLCVQIJ-UHFFFAOYSA-N 1 0 379.400 2.540 20 0 GFADRO C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CCCCS(C)(=O)=O ZINC000424307653 563376221 /nfs/dbraw/zinc/37/62/21/563376221.db2.gz MHIWUZOLZYXLFX-LBPRGKRZSA-N 1 0 391.331 2.581 20 0 GFADRO C[C@H]([NH2+]CCCCS(C)(=O)=O)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000424306167 563376229 /nfs/dbraw/zinc/37/62/29/563376229.db2.gz HBWGYMJQEBMNLQ-HNNXBMFYSA-N 1 0 387.567 2.878 20 0 GFADRO C[C@H](C[S@@](C)=O)[N@H+](C)CCC(=O)Nc1ccc(Br)cc1F ZINC000299155030 563376851 /nfs/dbraw/zinc/37/68/51/563376851.db2.gz XDOZGUVYVLNDPR-LADRHHBVSA-N 1 0 379.295 2.616 20 0 GFADRO O=S(=O)(c1ccc2ccccc2c1Br)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000424358634 563376847 /nfs/dbraw/zinc/37/68/47/563376847.db2.gz BFHFAQVGXSWZQT-OCCSQVGLSA-N 1 0 381.295 2.585 20 0 GFADRO C[C@H]1CC2(CN1S(=O)(=O)c1ccc(Br)s1)CC[NH2+]CC2 ZINC000424387639 563377607 /nfs/dbraw/zinc/37/76/07/563377607.db2.gz GLCAVNXJMBPQTL-JTQLQIEISA-N 1 0 379.345 2.663 20 0 GFADRO Cc1cn2c(n1)CN(Cc1nc(Cc3cccc(Br)c3)no1)CC2 ZINC000374647664 563378488 /nfs/dbraw/zinc/37/84/88/563378488.db2.gz OMLWBGWVNPVQTF-UHFFFAOYSA-N 1 0 388.269 2.944 20 0 GFADRO Cc1cc(NC(=O)C(=O)N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)cc(F)c1Br ZINC000299278912 563379956 /nfs/dbraw/zinc/37/99/56/563379956.db2.gz MXJLMSZCHSRJQE-JQWIXIFHSA-N 1 0 398.276 2.577 20 0 GFADRO C[C@H]1C[N@@H+](C2CCN(C(=O)Nc3ncc(C(F)(F)F)s3)CC2)CCO1 ZINC000374686123 563380133 /nfs/dbraw/zinc/38/01/33/563380133.db2.gz LOJVAKSLBAUPFP-JTQLQIEISA-N 1 0 378.420 2.879 20 0 GFADRO O=S(=O)(c1ccc(C(F)(F)F)nc1)N1CCC[C@@H]([NH+]2CCCCC2)C1 ZINC000374683691 563380286 /nfs/dbraw/zinc/38/02/86/563380286.db2.gz SDZNASZHXNSUSA-CYBMUJFWSA-N 1 0 377.432 2.739 20 0 GFADRO CC(C)[N@H+](C)CC(=O)NCC1(c2cccc(Br)c2)CCOCC1 ZINC000299517341 563385220 /nfs/dbraw/zinc/38/52/20/563385220.db2.gz WVGXQLNQLLQFKE-UHFFFAOYSA-N 1 0 383.330 2.954 20 0 GFADRO Cc1sc(C(=O)N(C)CC[N@H+](C)C2CCN(C)CC2)cc1Br ZINC000424660872 563386131 /nfs/dbraw/zinc/38/61/31/563386131.db2.gz VACXEMIDJDVVEZ-UHFFFAOYSA-N 1 0 388.375 2.917 20 0 GFADRO COc1c(Br)ccc(C)c1C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000424715792 563388439 /nfs/dbraw/zinc/38/84/39/563388439.db2.gz UVSIPRXDLUBEOV-CQSZACIVSA-N 1 0 397.313 2.560 20 0 GFADRO COc1ncc(C(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)cc1Br ZINC000424719760 563388642 /nfs/dbraw/zinc/38/86/42/563388642.db2.gz YWXUTPDXZKEEOX-CYBMUJFWSA-N 1 0 382.302 2.657 20 0 GFADRO O=C(NCCCC[NH+]1CCOCC1)N[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000281882009 563389101 /nfs/dbraw/zinc/38/91/01/563389101.db2.gz UCWHZYPVISRYAP-DLBZAZTESA-N 1 0 396.329 2.717 20 0 GFADRO O=C(CC[N@@H+]1CCCC2(C1)OCCO2)Nc1ccc(Br)cc1F ZINC000299732840 563390566 /nfs/dbraw/zinc/39/05/66/563390566.db2.gz XZRWFMWHHIZNEG-UHFFFAOYSA-N 1 0 387.249 2.756 20 0 GFADRO CS[C@H]1CN(C(=O)Cc2noc3ccc(Br)cc32)C[C@@H]1[NH+](C)C ZINC000424758766 563390707 /nfs/dbraw/zinc/39/07/07/563390707.db2.gz VNMHLBFZEKTAQE-ZFWWWQNUSA-N 1 0 398.326 2.637 20 0 GFADRO COc1ccc(Br)c(S(=O)(=O)N2CCC[C@H]2c2ncc[nH]2)c1 ZINC000375198698 563395054 /nfs/dbraw/zinc/39/50/54/563395054.db2.gz XYFMOTSQXWWYRU-LBPRGKRZSA-N 1 0 386.271 2.707 20 0 GFADRO C[NH+](C)[C@H](CNc1ccc(S(N)(=O)=O)c(C(F)(F)F)c1)c1ccco1 ZINC000301212103 563396527 /nfs/dbraw/zinc/39/65/27/563396527.db2.gz WBTPNTLEMRRFCZ-GFCCVEGCSA-N 1 0 377.388 2.661 20 0 GFADRO Cc1cccc(S(=O)(=O)N2CCCC3(CC[NH2+]CC3)C2)c1Br ZINC000375270732 563398091 /nfs/dbraw/zinc/39/80/91/563398091.db2.gz VPJFAAHDFLBPNF-UHFFFAOYSA-N 1 0 387.343 2.912 20 0 GFADRO Cn1ncc(NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)c(Br)c1=O ZINC000301298105 563399480 /nfs/dbraw/zinc/39/94/80/563399480.db2.gz PWCPVOOZZZUMED-AWEZNQCLSA-N 1 0 377.286 2.619 20 0 GFADRO O=C(/C=C/c1ccc(I)o1)NCc1cnc2n1CCCC2 ZINC000375398713 563402593 /nfs/dbraw/zinc/40/25/93/563402593.db2.gz ZMLBHIMJZMIWEO-FNORWQNLSA-N 1 0 397.216 2.747 20 0 GFADRO C[C@H]1OCC[C@H]1C(=O)Nc1cc(Br)ccc1N(C)CC[NH+](C)C ZINC000425095163 563403735 /nfs/dbraw/zinc/40/37/35/563403735.db2.gz AIAALRUDFASUPW-TZMCWYRMSA-N 1 0 384.318 2.810 20 0 GFADRO CO[C@H](C(=O)Nc1cc(Br)ccc1N(C)CC[NH+](C)C)C1CC1 ZINC000425097816 563404352 /nfs/dbraw/zinc/40/43/52/563404352.db2.gz JAMIZFQHNCZJQE-INIZCTEOSA-N 1 0 384.318 2.810 20 0 GFADRO CN(CC[NH+](C)C)c1ccc(Br)cc1NC(=O)Cc1ccon1 ZINC000425096548 563404767 /nfs/dbraw/zinc/40/47/67/563404767.db2.gz FQOSIGQCPZSVHW-UHFFFAOYSA-N 1 0 381.274 2.616 20 0 GFADRO CN(CC[NH+](C)C)c1ccc(Br)cc1NC(=O)[C@@H]1CCC[C@H](O)C1 ZINC000425098982 563404786 /nfs/dbraw/zinc/40/47/86/563404786.db2.gz NIWFDCIYUSSVGG-HIFRSBDPSA-N 1 0 398.345 2.937 20 0 GFADRO C[C@@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+]CC1([S@](C)=O)CC1 ZINC000282345292 563408017 /nfs/dbraw/zinc/40/80/17/563408017.db2.gz OZSZIUPTLQUCBR-FTJNGKRUSA-N 1 0 378.416 2.803 20 0 GFADRO O=S(=O)(CCc1cccs1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000425196689 563409945 /nfs/dbraw/zinc/40/99/45/563409945.db2.gz AKIRVSFJAQTOCL-PKOBYXMFSA-N 1 0 376.547 2.827 20 0 GFADRO COCC[NH+]1CCC(Nc2ncc(C)cc2I)CC1 ZINC000425212613 563411852 /nfs/dbraw/zinc/41/18/52/563411852.db2.gz FKZBNGDNIHQMPA-UHFFFAOYSA-N 1 0 375.254 2.517 20 0 GFADRO C[N@@H+]1C[C@@H]2CCCN(S(=O)(=O)c3c(Cl)cccc3Br)[C@@H]2C1 ZINC000425218598 563412153 /nfs/dbraw/zinc/41/21/53/563412153.db2.gz YQAUBURFUJKRED-GXFFZTMASA-N 1 0 393.734 2.817 20 0 GFADRO Cn1nc(Br)c2c1ncnc2N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000301848577 563413752 /nfs/dbraw/zinc/41/37/52/563413752.db2.gz VNBFPAHDILOEQS-TZMCWYRMSA-N 1 0 387.285 2.983 20 0 GFADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)C1(c2cc(F)cc(Br)c2)CC1 ZINC000375710200 563415134 /nfs/dbraw/zinc/41/51/34/563415134.db2.gz JQKWAVPRPZFCHO-CVEARBPZSA-N 1 0 397.288 2.599 20 0 GFADRO COC(=O)c1sc(N2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)nc1Cl ZINC000301932417 563416341 /nfs/dbraw/zinc/41/63/41/563416341.db2.gz PEBMYLYKRPIWOZ-CHWSQXEVSA-N 1 0 386.949 2.578 20 0 GFADRO COc1cc2[nH+]ccc(N[C@H](CO)[C@@H]3CCCOC3)c2cc1Br ZINC000425269333 563416431 /nfs/dbraw/zinc/41/64/31/563416431.db2.gz QRKSPVQJROCPJP-BDJLRTHQSA-N 1 0 381.270 2.627 20 0 GFADRO COc1ncc(C(=O)N2CCC[N@H+](CC3CCC3)CC2)cc1Br ZINC000425300412 563416976 /nfs/dbraw/zinc/41/69/76/563416976.db2.gz LHXMOMANKJCNCR-UHFFFAOYSA-N 1 0 382.302 2.801 20 0 GFADRO Cc1ccc(CC(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)cc1Br ZINC000375774027 563417917 /nfs/dbraw/zinc/41/79/17/563417917.db2.gz LYVLIXZBZJUURN-INIZCTEOSA-N 1 0 381.314 2.670 20 0 GFADRO O=C(c1cc2ccc(Br)cc2[nH]1)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000375789736 563418573 /nfs/dbraw/zinc/41/85/73/563418573.db2.gz JNIXPGMSGNBZOH-SJORKVTESA-N 1 0 392.297 2.602 20 0 GFADRO COC(=O)c1cnc([C@@H](C)[NH2+]C[C@@H](C)c2ccc(S(C)(=O)=O)cc2)s1 ZINC000425349130 563418925 /nfs/dbraw/zinc/41/89/25/563418925.db2.gz FWMFBRQLKBPJMY-VXGBXAGGSA-N 1 0 382.507 2.788 20 0 GFADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)C3(c4cncc(Br)c4)CC3)CC[C@H]21 ZINC000282640189 563419321 /nfs/dbraw/zinc/41/93/21/563419321.db2.gz GWHAIXKKIYJXLG-CZUORRHYSA-N 1 0 378.314 2.818 20 0 GFADRO Cc1nn(C)c2ncc(C[NH2+]C[C@@H](O)c3cccc(Br)c3)cc12 ZINC000282641257 563419379 /nfs/dbraw/zinc/41/93/79/563419379.db2.gz HALKAVWTHNSQEB-MRXNPFEDSA-N 1 0 375.270 2.862 20 0 GFADRO O=C(C[NH2+][C@H]1CCC(=O)NC12CCC2)Nc1nc(-c2cccs2)cs1 ZINC000282642660 563419462 /nfs/dbraw/zinc/41/94/62/563419462.db2.gz AATUQNUFOWBRTL-ZDUSSCGKSA-N 1 0 376.507 2.601 20 0 GFADRO C[NH+](C)[C@@H]1CCCN(S(=O)(=O)c2cccc(Br)c2F)CC1 ZINC000282664432 563420264 /nfs/dbraw/zinc/42/02/64/563420264.db2.gz QDUJTWKTETXHFU-LLVKDONJSA-N 1 0 379.295 2.693 20 0 GFADRO COc1ccc([C@H](C)[NH2+]CC2(OCCO)CCOCC2)c(Br)c1 ZINC000282674965 563420803 /nfs/dbraw/zinc/42/08/03/563420803.db2.gz JJJDNWQRCVKDEL-ZDUSSCGKSA-N 1 0 388.302 2.666 20 0 GFADRO COCC(C)(C)[NH+]1CCN(C(=O)NCc2cc(Br)cs2)CC1 ZINC000425409577 563420965 /nfs/dbraw/zinc/42/09/65/563420965.db2.gz AYQNWNPQOPRZGH-UHFFFAOYSA-N 1 0 390.347 2.763 20 0 GFADRO Cc1cc([C@H](C)[NH2+]CC(=O)NCc2ccc(S(C)(=O)=O)cc2)c(C)s1 ZINC000425463225 563423785 /nfs/dbraw/zinc/42/37/85/563423785.db2.gz VWVCFBZMXFURQP-ZDUSSCGKSA-N 1 0 380.535 2.735 20 0 GFADRO C[C@H]([NH2+][C@H]1CCC(=O)NC12CCC2)C(=O)Nc1ccc(Br)cc1 ZINC000282769199 563424477 /nfs/dbraw/zinc/42/44/77/563424477.db2.gz LOZPWGITMUTFRU-FZMZJTMJSA-N 1 0 380.286 2.567 20 0 GFADRO Cn1ccnc1[C@H]1CCCN(C(=O)c2cn3ccc(Br)cc3n2)C1 ZINC000376092418 563429285 /nfs/dbraw/zinc/42/92/85/563429285.db2.gz MDKFWCZAHBOSQQ-LBPRGKRZSA-N 1 0 388.269 2.850 20 0 GFADRO O=CN1CCC([NH2+]Cc2ccc(I)c(Cl)c2)CC1 ZINC000282921949 563429726 /nfs/dbraw/zinc/42/97/26/563429726.db2.gz YBIBKLOZGDLJAF-UHFFFAOYSA-N 1 0 378.641 2.655 20 0 GFADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)Nc3ccccc3I)[C@@H]2C1 ZINC000376167844 563431888 /nfs/dbraw/zinc/43/18/88/563431888.db2.gz TUCKZWMFSPYTHD-BXUZGUMPSA-N 1 0 385.249 2.849 20 0 GFADRO C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000303511541 563433045 /nfs/dbraw/zinc/43/30/45/563433045.db2.gz CJKVLKUASBULOP-CHWSQXEVSA-N 1 0 386.323 2.923 20 0 GFADRO C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000303511543 563433141 /nfs/dbraw/zinc/43/31/41/563433141.db2.gz CJKVLKUASBULOP-QWHCGFSZSA-N 1 0 386.323 2.923 20 0 GFADRO C[NH+](C)CC(C)(C)CNC(=O)C(=O)Nc1cc(Cl)ccc1OC(F)F ZINC000425738886 563434131 /nfs/dbraw/zinc/43/41/31/563434131.db2.gz IJZVXWMEVVJPMN-UHFFFAOYSA-N 1 0 377.819 2.584 20 0 GFADRO C[C@H](CO)[NH2+]Cc1cc(I)c(Br)cc1F ZINC000309084243 563434707 /nfs/dbraw/zinc/43/47/07/563434707.db2.gz VAFLSBXDJUTAAO-ZCFIWIBFSA-N 1 0 388.018 2.663 20 0 GFADRO COc1ccc(S(=O)(=O)N2CCC([NH2+]CCCCCSC)CC2)cc1 ZINC000376321540 563438183 /nfs/dbraw/zinc/43/81/83/563438183.db2.gz BBRNPBJDFCRWSJ-UHFFFAOYSA-N 1 0 386.583 2.971 20 0 GFADRO COc1c(Br)cccc1CN1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000376326290 563438235 /nfs/dbraw/zinc/43/82/35/563438235.db2.gz YKQNDOWIJMIMDK-CRAIPNDOSA-N 1 0 396.373 2.916 20 0 GFADRO Cc1nc(CN2CCC[C@@H]([NH2+][C@@H](C)c3ncc(Br)cc3F)C2)no1 ZINC000376339171 563438740 /nfs/dbraw/zinc/43/87/40/563438740.db2.gz GUDWMLWOPJAOBP-GXFFZTMASA-N 1 0 398.280 2.990 20 0 GFADRO Cc1ccc(Br)cc1S(=O)(=O)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000314690544 563439662 /nfs/dbraw/zinc/43/96/62/563439662.db2.gz IMQDQTGKZWZDTR-DZGCQCFKSA-N 1 0 387.343 2.910 20 0 GFADRO CCOc1ccc(Br)cc1S(=O)(=O)N1CC[C@@H]([NH3+])[C@@H](CC)C1 ZINC000316777949 563441435 /nfs/dbraw/zinc/44/14/35/563441435.db2.gz FULRIMLYQZJINR-WCQYABFASA-N 1 0 391.331 2.596 20 0 GFADRO Cc1nn(C)c(Cl)c1S(=O)(=O)N1CCC([NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000376482540 563443801 /nfs/dbraw/zinc/44/38/01/563443801.db2.gz BACACLXSPUJAOT-STQMWFEESA-N 1 0 388.965 2.513 20 0 GFADRO C[C@@H]1CN(CC(=O)N2CCc3sccc3[C@H]2c2cccs2)CC[C@@H]1O ZINC000376499992 563443952 /nfs/dbraw/zinc/44/39/52/563443952.db2.gz IJVWGZDJORZGJW-WTANOLMUSA-N 1 0 376.547 2.986 20 0 GFADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)Nc1cc(C)c(Br)c(C)c1 ZINC000426165723 563445509 /nfs/dbraw/zinc/44/55/09/563445509.db2.gz JXMDDAHUDLMWGO-ZDUSSCGKSA-N 1 0 384.318 2.851 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CN(C(=O)c2ccc(Br)cc2C(F)(F)F)CCO1 ZINC000320173409 563446476 /nfs/dbraw/zinc/44/64/76/563446476.db2.gz JYORKEPYTFSSRM-UFBFGSQYSA-N 1 0 381.192 2.656 20 0 GFADRO Cc1ccc(Br)nc1C(=O)N[C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@H]1C ZINC000376560063 563446679 /nfs/dbraw/zinc/44/66/79/563446679.db2.gz CLSDRBAPHGOHRW-RBSFLKMASA-N 1 0 396.329 2.772 20 0 GFADRO OCC[C@H]1CCC[N@@H+]1C[C@H](O)COc1ccc(Cl)cc1Br ZINC000426259085 563447637 /nfs/dbraw/zinc/44/76/37/563447637.db2.gz ZVSKPPIXERZGMF-OLZOCXBDSA-N 1 0 378.694 2.689 20 0 GFADRO O=C(c1ccc(F)c(Br)c1)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000323111281 563450736 /nfs/dbraw/zinc/45/07/36/563450736.db2.gz FSFHCEVCRZCFIN-AWEZNQCLSA-N 1 0 385.277 2.915 20 0 GFADRO CC[N@@H+]1CCCN(C(=O)N[C@H]2CCN(c3cccc(Br)c3)C2)CC1 ZINC000426431938 563450840 /nfs/dbraw/zinc/45/08/40/563450840.db2.gz FYWYTQABSVMVBA-INIZCTEOSA-N 1 0 395.345 2.765 20 0 GFADRO O=C1C[C@@H]([N@@H+]2CC[C@@]3(C2)CCCOC3)C(=O)N1c1ccc(Br)cc1 ZINC000376757982 563453374 /nfs/dbraw/zinc/45/33/74/563453374.db2.gz KDLCVXMRZDYWAM-CRAIPNDOSA-N 1 0 393.281 2.584 20 0 GFADRO CC(C)(C)C(=O)N1CCC([NH2+]Cc2c(Cl)cccc2S(C)(=O)=O)CC1 ZINC000326833959 563455738 /nfs/dbraw/zinc/45/57/38/563455738.db2.gz ABLGPSMXUKFFSE-UHFFFAOYSA-N 1 0 386.945 2.870 20 0 GFADRO Cc1csc(-c2cccc(S(=O)(=O)N3CC[C@H]4CC[N@@H+](C)C[C@H]43)c2)n1 ZINC000328675990 563463296 /nfs/dbraw/zinc/46/32/96/563463296.db2.gz RHKMKJPOXREJMR-RHSMWYFYSA-N 1 0 377.535 2.833 20 0 GFADRO COc1ccc(CNc2ccn(C3CC[NH+](C)CC3)n2)c(Br)c1 ZINC000377158887 563465490 /nfs/dbraw/zinc/46/54/90/563465490.db2.gz UGVMJHCJYBGPHB-UHFFFAOYSA-N 1 0 379.302 3.533 20 0 GFADRO CN(CC(=O)Nc1ccccc1Br)C(=O)C[C@@H]1CCC[NH2+]CC1 ZINC000427334883 563465565 /nfs/dbraw/zinc/46/55/65/563465565.db2.gz CGDOZMQDVHNKQQ-CYBMUJFWSA-N 1 0 382.302 2.626 20 0 GFADRO COC(=O)c1ccc(C[NH2+]C2CCN(C(=O)C(C)C)CC2)c(Br)c1 ZINC000284181155 563466501 /nfs/dbraw/zinc/46/65/01/563466501.db2.gz AMXCQCOMCTUPPI-UHFFFAOYSA-N 1 0 397.313 2.972 20 0 GFADRO O=C(c1cc(-c2ccc(Br)cc2)n[nH]1)N1CCN(C2CC2)CC1 ZINC000329029908 563470677 /nfs/dbraw/zinc/47/06/77/563470677.db2.gz KZIHDJVJGBLUMM-UHFFFAOYSA-N 1 0 375.270 2.759 20 0 GFADRO O[C@H](COc1cc(Cl)ccc1Cl)CN1CCOC[C@H]1[C@@H]1CCCO1 ZINC000329048929 563471576 /nfs/dbraw/zinc/47/15/76/563471576.db2.gz GOUYZXLZJHUNQZ-BPUTZDHNSA-N 1 0 376.280 2.613 20 0 GFADRO C[NH+](C)[C@]1(CNS(=O)(=O)Cc2cc(Cl)cc(Cl)c2)CCSC1 ZINC000427865533 563477778 /nfs/dbraw/zinc/47/77/78/563477778.db2.gz OUTQKVDFWWPNMJ-AWEZNQCLSA-N 1 0 383.366 2.850 20 0 GFADRO CN1CC[C@H]([NH2+][C@H]2CCN(CC(F)(F)F)C2=O)[C@H]1c1ccc(Cl)cc1 ZINC000377658658 563482634 /nfs/dbraw/zinc/48/26/34/563482634.db2.gz XTYRWCYICPAFBY-SOUVJXGZSA-N 1 0 375.822 2.838 20 0 GFADRO O=C(CCOc1ccccc1Br)NCCC[NH2+]Cc1cccnc1 ZINC000428120910 563483041 /nfs/dbraw/zinc/48/30/41/563483041.db2.gz LKBDRGQVKSCKIH-UHFFFAOYSA-N 1 0 392.297 2.909 20 0 GFADRO C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1CSc2ccc(Br)cc21 ZINC000428191259 563484887 /nfs/dbraw/zinc/48/48/87/563484887.db2.gz JPRJQTZZUWDARK-SMDDNHRTSA-N 1 0 385.327 2.680 20 0 GFADRO CN(Cc1c(Cl)cccc1Cl)C(=O)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000284859274 563492381 /nfs/dbraw/zinc/49/23/81/563492381.db2.gz AMXYAQIDIJTLMR-GFCCVEGCSA-N 1 0 384.307 2.552 20 0 GFADRO CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CSCCN2Cc2ccccc2)C1 ZINC000284874709 563493229 /nfs/dbraw/zinc/49/32/29/563493229.db2.gz BBRDRDRCRGYCCN-IPMKNSEASA-N 1 0 382.595 2.549 20 0 GFADRO NC(=O)c1csc(C[NH2+]C[C@H](CO)Cc2ccc(Br)cc2)c1 ZINC000428544770 563495212 /nfs/dbraw/zinc/49/52/12/563495212.db2.gz URINORQUHISBNR-GFCCVEGCSA-N 1 0 383.311 2.550 20 0 GFADRO CN(C)c1ccncc1C[NH2+]C[C@@H](CO)Cc1ccccc1Br ZINC000428549508 563495452 /nfs/dbraw/zinc/49/54/52/563495452.db2.gz PXZXUIJKRCTPQY-AWEZNQCLSA-N 1 0 378.314 2.851 20 0 GFADRO Cc1ccc(Br)c(S(=O)(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)c1 ZINC000378063998 563495746 /nfs/dbraw/zinc/49/57/46/563495746.db2.gz YFZXESHBFHFFGS-AWEZNQCLSA-N 1 0 387.343 2.768 20 0 GFADRO Cc1nc(-c2ccc(S(=O)(=O)N[C@H]3CN(C4CC4)C[C@@H]3C)s2)cs1 ZINC000330146786 563496908 /nfs/dbraw/zinc/49/69/08/563496908.db2.gz LPAABDKPQUNHBY-GWCFXTLKSA-N 1 0 383.564 2.941 20 0 GFADRO CC(C)[N@H+](C)CC(=O)N[C@H](C)c1ccc(Br)cc1OCCCO ZINC000428590521 563496987 /nfs/dbraw/zinc/49/69/87/563496987.db2.gz OXAIAIVBPJINMN-CYBMUJFWSA-N 1 0 387.318 2.728 20 0 GFADRO O=C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cc(I)ccc1Cl ZINC000428623314 563497370 /nfs/dbraw/zinc/49/73/70/563497370.db2.gz OVLYWWOTLAWUSY-ZACCUICWSA-N 1 0 390.652 2.957 20 0 GFADRO Cc1cccc(S(=O)(=O)N2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c1Br ZINC000378223295 563499054 /nfs/dbraw/zinc/49/90/54/563499054.db2.gz IQANAJUAXFMPNE-UONOGXRCSA-N 1 0 387.343 2.910 20 0 GFADRO CC[N@@H+]1CCCN(C(=O)NC[C@@H](C)Oc2ccc(Br)cc2)CC1 ZINC000428702635 563500014 /nfs/dbraw/zinc/50/00/14/563500014.db2.gz SDVGNVQCWAZEJT-CQSZACIVSA-N 1 0 384.318 2.954 20 0 GFADRO C[N@@H+]1CCC[C@@H](CNS(=O)(=O)CCC2CCOCC2)[C@@H]1c1cccs1 ZINC000330305387 563500285 /nfs/dbraw/zinc/50/02/85/563500285.db2.gz QPOOLSYIYJCYQB-FUHWJXTLSA-N 1 0 386.583 2.867 20 0 GFADRO C[C@@H]([NH2+][C@@H](CO)c1ccc(Br)cc1)C(=O)NCCc1ccccc1 ZINC000428778094 563501285 /nfs/dbraw/zinc/50/12/85/563501285.db2.gz ICYAXQPMPNWETO-KDOFPFPSSA-N 1 0 391.309 2.820 20 0 GFADRO C[C@H]([NH2+][C@H](CO)c1ccc(Br)cc1)C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000428798285 563501866 /nfs/dbraw/zinc/50/18/66/563501866.db2.gz GQMDXZIIOVKAKO-QDEZUTFSSA-N 1 0 383.330 2.965 20 0 GFADRO O=C(CSc1cccc(Br)c1)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000378329204 563502525 /nfs/dbraw/zinc/50/25/25/563502525.db2.gz DWQLOXLQEFSFLJ-ZIAGYGMSSA-N 1 0 385.327 2.521 20 0 GFADRO O=C(c1cn2ccc(Br)cc2n1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000285116494 563503825 /nfs/dbraw/zinc/50/38/25/563503825.db2.gz IFXJAYDTNDJBLM-CQSZACIVSA-N 1 0 377.286 2.797 20 0 GFADRO C[N@H+](C[C@@H]1CC12CCN(C(=O)c1c[nH]c(=O)c(Br)c1)CC2)C1CC1 ZINC000378352961 563503958 /nfs/dbraw/zinc/50/39/58/563503958.db2.gz DNXGSQAHJWYKMI-ZDUSSCGKSA-N 1 0 394.313 2.886 20 0 GFADRO Cc1ccc(S(=O)(=O)N2CCC[C@H]([NH+](C)C)CC2)cc1Br ZINC000428871048 563504226 /nfs/dbraw/zinc/50/42/26/563504226.db2.gz ZMWCSFNKOAZSNV-ZDUSSCGKSA-N 1 0 375.332 2.862 20 0 GFADRO [NH3+]C1CCC(NC(=O)[C@H](c2ccc(Cl)cc2Cl)N2CCOCC2)CC1 ZINC000428969756 563505723 /nfs/dbraw/zinc/50/57/23/563505723.db2.gz RZESCPPRUCIISD-KVULBXGLSA-N 1 0 386.323 2.753 20 0 GFADRO C[C@@H](NC(=O)c1ccc(S(=O)(=O)c2ccccc2)s1)[C@H]1CCC[NH2+]C1 ZINC000428993807 563506237 /nfs/dbraw/zinc/50/62/37/563506237.db2.gz NYZATWRXFVEZMJ-KGLIPLIRSA-N 1 0 378.519 2.699 20 0 GFADRO O=S1(=O)CC[C@@]2(C1)C[C@H]([NH2+]Cc1ccc(F)c(C(F)(F)F)c1)CCO2 ZINC000378457374 563507238 /nfs/dbraw/zinc/50/72/38/563507238.db2.gz DFHQWOQJMCLIFI-DOMZBBRYSA-N 1 0 381.391 2.670 20 0 GFADRO C[N@@H+]1CC[C@H]2CCN(C(=O)c3ccc(F)c(I)c3)C[C@@H]21 ZINC000378457947 563507522 /nfs/dbraw/zinc/50/75/22/563507522.db2.gz FGAGHGFUFRFISB-HZMBPMFUSA-N 1 0 388.224 2.597 20 0 GFADRO CC(C)[C@@H]([NH2+]CC1(O)CCS(=O)(=O)CC1)c1cccc(C(F)(F)F)c1 ZINC000330527149 563509522 /nfs/dbraw/zinc/50/95/22/563509522.db2.gz PKUMEUNZQLUUDV-OAHLLOKOSA-N 1 0 379.444 2.932 20 0 GFADRO COCC[C@H](Cc1cccc(Br)c1)C(=O)N1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000429177791 563510663 /nfs/dbraw/zinc/51/06/63/563510663.db2.gz CVNNZCHEBPHHJR-LXZKKBNFSA-N 1 0 383.330 2.840 20 0 GFADRO C[C@H]1CCCN(C(=O)c2cc(F)ccc2I)[C@H]1C[NH3+] ZINC000429162368 563510823 /nfs/dbraw/zinc/51/08/23/563510823.db2.gz LNVXIGPERUHONF-ZANVPECISA-N 1 0 376.213 2.630 20 0 GFADRO Oc1cccc2c1C[C@H]([NH2+]C[C@H](O)COc1cc(F)cc(Br)c1)C2 ZINC000429231846 563512252 /nfs/dbraw/zinc/51/22/52/563512252.db2.gz QZLCLGHTMUJZIB-CABCVRRESA-N 1 0 396.256 2.791 20 0 GFADRO C[C@H]([NH2+][C@H]1CCCC[C@@H]1NS(C)(=O)=O)c1ccccc1Br ZINC000330596781 563512495 /nfs/dbraw/zinc/51/24/95/563512495.db2.gz CMIDXQJPEZUNCZ-CQDKDKBSSA-N 1 0 375.332 2.960 20 0 GFADRO COc1ccc(C(=O)N2CCC([NH2+]C3CCCC3)CC2)nc1Br ZINC000378623574 563512818 /nfs/dbraw/zinc/51/28/18/563512818.db2.gz NJRVYEAQFAWQGF-UHFFFAOYSA-N 1 0 382.302 2.990 20 0 GFADRO C[C@H](O)C[N@@H+]1CCN(Cc2nnc(-c3ccc(Cl)cc3Cl)o2)C[C@H]1C ZINC000330647356 563515202 /nfs/dbraw/zinc/51/52/02/563515202.db2.gz HVKLZDCDCZGZQY-NEPJUHHUSA-N 1 0 385.295 2.930 20 0 GFADRO C[C@H](Cn1cc(Br)cn1)[NH2+]C[C@@]1(CO)C[C@@H]1c1ccc(F)cc1 ZINC000429416066 563516409 /nfs/dbraw/zinc/51/64/09/563516409.db2.gz BSXJEPQYWIVXRV-CSMYWGQOSA-N 1 0 382.277 2.929 20 0 GFADRO C[C@H]([NH2+][C@@H](CO)CC(F)F)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000429444029 563516853 /nfs/dbraw/zinc/51/68/53/563516853.db2.gz ARVCNYMPFPZKNH-DZGCQCFKSA-N 1 0 376.469 2.528 20 0 GFADRO Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+]CCNS(=O)(=O)NC(C)C ZINC000429453364 563516990 /nfs/dbraw/zinc/51/69/90/563516990.db2.gz OQSNRDDNWVGKGC-ZDUSSCGKSA-N 1 0 382.555 2.602 20 0 GFADRO Cc1cc(C(=O)NCC[C@@H]2CC[NH2+]C2)nn1-c1ccc(Br)cc1 ZINC000429427645 563517185 /nfs/dbraw/zinc/51/71/85/563517185.db2.gz POFYQQUFMGJMHW-ZDUSSCGKSA-N 1 0 377.286 2.673 20 0 GFADRO C[C@H]1CC[C@@H]([N@H+](C)CC(=O)Nc2ccc(Cl)c(S(=O)(=O)N(C)C)c2)C1 ZINC000429571216 563519277 /nfs/dbraw/zinc/51/92/77/563519277.db2.gz DCCDJUUGNRXRRZ-GXTWGEPZSA-N 1 0 387.933 2.649 20 0 GFADRO C[NH+](C)CCCC(C)(C)NC(=O)c1ccc(I)c(O)c1 ZINC000387208971 563519506 /nfs/dbraw/zinc/51/95/06/563519506.db2.gz YDVKHPWMZVZZSR-UHFFFAOYSA-N 1 0 390.265 2.847 20 0 GFADRO CCC([NH3+])(CC)CNC(=O)CCNC(=O)Nc1ccc(Br)cc1 ZINC000429659167 563520513 /nfs/dbraw/zinc/52/05/13/563520513.db2.gz KCZVGIDFDGEJLY-UHFFFAOYSA-N 1 0 385.306 2.594 20 0 GFADRO COCC(=O)N1CCC([NH2+]C2CC(c3cccc(Br)c3)C2)CC1 ZINC000390336441 563522508 /nfs/dbraw/zinc/52/25/08/563522508.db2.gz UUCSKHFLEGKEMI-UHFFFAOYSA-N 1 0 381.314 2.922 20 0 GFADRO COc1ccc(NC(=O)C[C@@H](C)[NH2+]CCn2cc(Br)cn2)cc1 ZINC000285533723 563525689 /nfs/dbraw/zinc/52/56/89/563525689.db2.gz CTISJHOUYPRQSJ-GFCCVEGCSA-N 1 0 381.274 2.661 20 0 GFADRO CS(=O)(=O)NC[C@@H]1CCC[N@H+](CCOc2cc(Cl)cc(Cl)c2)C1 ZINC000330894495 563526242 /nfs/dbraw/zinc/52/62/42/563526242.db2.gz ZSXJABHNDFWMPI-LBPRGKRZSA-N 1 0 381.325 2.633 20 0 GFADRO CC[NH+](CC)CCN(CC(C)C)S(=O)(=O)c1c(C)csc1C(=O)OC ZINC000393101608 563528561 /nfs/dbraw/zinc/52/85/61/563528561.db2.gz ZWMVYAWZDNTCJQ-UHFFFAOYSA-N 1 0 390.571 2.832 20 0 GFADRO COCC[C@@]1(C(=O)NCC(C)(C)c2ccc(Br)cc2)CC[NH2+]C1 ZINC000429953639 563530454 /nfs/dbraw/zinc/53/04/54/563530454.db2.gz UZHLJIWQYXGTHL-SFHVURJKSA-N 1 0 383.330 2.859 20 0 GFADRO C[C@@H]1C[C@@H](C)N(CC(=O)N(C)Cc2ccccc2Br)C[C@@H]1C[NH3+] ZINC000397318224 563531688 /nfs/dbraw/zinc/53/16/88/563531688.db2.gz MFEWTNODSWPCJJ-FMKPAKJESA-N 1 0 382.346 2.713 20 0 GFADRO C[C@@H]1C[C@H](C)N(C(=O)c2ccc(F)cc2I)C[C@H]1C[NH3+] ZINC000397336177 563531961 /nfs/dbraw/zinc/53/19/61/563531961.db2.gz BTHQNBMRTYOIAY-OUAUKWLOSA-N 1 0 390.240 2.876 20 0 GFADRO C[C@@H]([NH2+][C@H]1CCCN(S(C)(=O)=O)C1)c1ccc(F)c(Br)c1 ZINC000400155703 563534338 /nfs/dbraw/zinc/53/43/38/563534338.db2.gz DNVPNGHAZIFNOR-PWSUYJOCSA-N 1 0 379.295 2.663 20 0 GFADRO C[C@H](C(=O)NC[C@H](CO)Cc1cccc(Br)c1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000430131781 563534823 /nfs/dbraw/zinc/53/48/23/563534823.db2.gz YVFOQQUACMYJSM-JYYAWHABSA-N 1 0 397.357 2.978 20 0 GFADRO CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](CO)Cc1cccc(Br)c1 ZINC000430138995 563535296 /nfs/dbraw/zinc/53/52/96/563535296.db2.gz ZZADQEXEJNPATA-DOTOQJQBSA-N 1 0 383.330 2.591 20 0 GFADRO CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H](CO)Cc1ccc(Br)cc1 ZINC000430138182 563535489 /nfs/dbraw/zinc/53/54/89/563535489.db2.gz HJJNOSNQHAFRBY-WBVHZDCISA-N 1 0 383.330 2.591 20 0 GFADRO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC[C@H](CO)Cc1ccccc1Br ZINC000430152562 563536480 /nfs/dbraw/zinc/53/64/80/563536480.db2.gz DULRHKQXEGVGQU-RBSFLKMASA-N 1 0 383.330 2.589 20 0 GFADRO CC(=O)c1cc(Br)ccc1OCC(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000285804017 563537399 /nfs/dbraw/zinc/53/73/99/563537399.db2.gz MASHJTJFRLAYCA-XJKSGUPXSA-N 1 0 395.297 2.583 20 0 GFADRO C[C@@H]1C[C@@H](N2CCOCC2)C[N@@H+]1C[C@@H](O)COc1ccc(Cl)cc1Cl ZINC000285805917 563537522 /nfs/dbraw/zinc/53/75/22/563537522.db2.gz GCKNXSOPBAWHFL-FVQBIDKESA-N 1 0 389.323 2.528 20 0 GFADRO CC[C@@H](C(=O)NC[C@@H](CO)Cc1ccccc1Br)[NH+](CC)CC ZINC000430177920 563537854 /nfs/dbraw/zinc/53/78/54/563537854.db2.gz KWPCDLNULAHSPP-YOEHRIQHSA-N 1 0 385.346 2.837 20 0 GFADRO COCC[C@]1(C(=O)Nc2cc(-c3cc(Cl)cc(Cl)c3)[nH]n2)CC[NH2+]C1 ZINC000430222353 563538410 /nfs/dbraw/zinc/53/84/10/563538410.db2.gz FYLPXBHSQNMZON-QGZVFWFLSA-N 1 0 383.279 3.338 20 0 GFADRO CN1C[C@@H]([NH2+]Cc2cc(Cl)ccc2I)CCC1=O ZINC000405465538 563539267 /nfs/dbraw/zinc/53/92/67/563539267.db2.gz SQJWDIMDJAEYLO-NSHDSACASA-N 1 0 378.641 2.655 20 0 GFADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNS(=O)(=O)c2cnccc2C(F)(F)F)C1 ZINC000331262455 563543055 /nfs/dbraw/zinc/54/30/55/563543055.db2.gz DLKMTEFNKRSMQK-BETUJISGSA-N 1 0 379.448 2.747 20 0 GFADRO Cc1cc(NC(=O)c2cncc(Br)c2)n(C2CC[NH+](C)CC2)n1 ZINC000430454800 563543823 /nfs/dbraw/zinc/54/38/23/563543823.db2.gz KTBYPXSCXJNHFN-UHFFFAOYSA-N 1 0 378.274 2.868 20 0 GFADRO COCC[C@@]1(C(=O)NCC2(c3cccc(Br)c3)CC2)CC[NH2+]C1 ZINC000430534382 563545362 /nfs/dbraw/zinc/54/53/62/563545362.db2.gz ZVLGAFJTNBLMDO-SFHVURJKSA-N 1 0 381.314 2.613 20 0 GFADRO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)Cc2cc[nH]c(=O)c2Br)C1 ZINC000331331834 563545651 /nfs/dbraw/zinc/54/56/51/563545651.db2.gz UNWFUWJONVJDDK-STQMWFEESA-N 1 0 398.345 2.965 20 0 GFADRO Cc1ccc(NC(=O)[C@H](C)N2CCC(OCCC[NH3+])CC2)c(Br)c1 ZINC000430586930 563545827 /nfs/dbraw/zinc/54/58/27/563545827.db2.gz XQWXXLDLJLOWGD-AWEZNQCLSA-N 1 0 398.345 2.914 20 0 GFADRO COc1ccc([C@@H](C[NH+](C)C)NC(=O)c2ncccc2Br)cc1 ZINC000286035712 563546346 /nfs/dbraw/zinc/54/63/46/563546346.db2.gz KOUMYRBWNRZJEN-OAHLLOKOSA-N 1 0 378.270 2.885 20 0 GFADRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1cnc2ccc(Br)cc2c1O ZINC000408192867 563547298 /nfs/dbraw/zinc/54/72/98/563547298.db2.gz ANRNRLIKPDLQFS-BDJLRTHQSA-N 1 0 392.297 2.703 20 0 GFADRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NS(=O)(=O)c1ccc(OC(F)F)c(Cl)c1 ZINC000331491879 563551357 /nfs/dbraw/zinc/55/13/57/563551357.db2.gz KRXFKMYNRHYFDE-TVQRCGJNSA-N 1 0 380.844 2.702 20 0 GFADRO C[C@H]([NH2+]CC1(c2cccc(Br)c2)CCOCC1)c1ccc(=O)[nH]n1 ZINC000286193236 563551984 /nfs/dbraw/zinc/55/19/84/563551984.db2.gz RJQAORDQWKVVHP-ZDUSSCGKSA-N 1 0 392.297 2.931 20 0 GFADRO O=C(CN1CCC2(CC[NH2+]C2)CC1)Nc1c(F)cc(F)cc1Br ZINC000431025746 563552205 /nfs/dbraw/zinc/55/22/05/563552205.db2.gz BSHNTZXVAHWDPC-UHFFFAOYSA-N 1 0 388.256 2.741 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)c2cc(=O)[nH]c3c(Br)cccc23)CC[N@@H+]1C ZINC000408368437 563552624 /nfs/dbraw/zinc/55/26/24/563552624.db2.gz ICEHYAOVTNZDOH-MNOVXSKESA-N 1 0 378.270 2.915 20 0 GFADRO CC(C)([NH3+])c1noc(CN2CCO[C@@H](c3ccc(Br)cc3)C2)n1 ZINC000431074809 563552950 /nfs/dbraw/zinc/55/29/50/563552950.db2.gz YERNGMPRQFGGSQ-CYBMUJFWSA-N 1 0 381.274 2.599 20 0 GFADRO CN(CCN1CC[NH+](Cc2ccccc2)CC1)C(=O)c1nc(Cl)cs1 ZINC000286253826 563553800 /nfs/dbraw/zinc/55/38/00/563553800.db2.gz VKNNBRWYWYSUHU-UHFFFAOYSA-N 1 0 378.929 2.686 20 0 GFADRO C[C@@H](c1ccc(Cl)cc1)N1CC[NH+](C[C@H](O)COCC(F)(F)F)CC1 ZINC000431124884 563554244 /nfs/dbraw/zinc/55/42/44/563554244.db2.gz LVCQZTVYHVMLBJ-BBRMVZONSA-N 1 0 380.838 2.958 20 0 GFADRO O=C(C[NH2+][C@@H]1CCC[C@@H]1CCO)Nc1c(F)cc(F)cc1Br ZINC000286301116 563555676 /nfs/dbraw/zinc/55/56/76/563555676.db2.gz VOXLPOOZBAGQCE-NOZJJQNGSA-N 1 0 377.229 2.807 20 0 GFADRO COC(=O)[C@@]1(C(F)(F)F)CC[N@H+](C[C@H](O)COc2ccc(Cl)cc2)C1 ZINC000286486288 563562125 /nfs/dbraw/zinc/56/21/25/563562125.db2.gz LPBKGWFZZGTVAX-SWLSCSKDSA-N 1 0 381.778 2.507 20 0 GFADRO O=C(CC[N@@H+]1CC[C@H](C(F)(F)F)[C@H](CO)C1)NCc1ccccc1Cl ZINC000286503788 563562603 /nfs/dbraw/zinc/56/26/03/563562603.db2.gz MMRQNDKBKNBVEA-KBPBESRZSA-N 1 0 378.822 2.839 20 0 GFADRO CC(=O)Nc1ccc(S(=O)(=O)N2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)cc1Cl ZINC000286538898 563564679 /nfs/dbraw/zinc/56/46/79/563564679.db2.gz BYRIOIHPHCIXII-YVEFUNNKSA-N 1 0 385.917 2.546 20 0 GFADRO CC[NH+](CC)[C@H](C)CNS(=O)(=O)Cc1cc(OC)ccc1Br ZINC000409560413 563565159 /nfs/dbraw/zinc/56/51/59/563565159.db2.gz AVKWRSYMUOSBQD-GFCCVEGCSA-N 1 0 393.347 2.607 20 0 GFADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)c1cccn1-c1c(Cl)cccc1Cl ZINC000409682204 563568088 /nfs/dbraw/zinc/56/80/88/563568088.db2.gz DHXSCSPKOIFGAW-CYBMUJFWSA-N 1 0 381.307 2.760 20 0 GFADRO O=C(NCc1ccc(O)c(Br)c1)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000332007899 563571076 /nfs/dbraw/zinc/57/10/76/563571076.db2.gz YUPUJXUHETUQKZ-CQSZACIVSA-N 1 0 399.354 2.988 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)NCC[NH+]2CCCCCC2)c(Br)c1 ZINC000431953278 563572309 /nfs/dbraw/zinc/57/23/09/563572309.db2.gz IIPVSHILXWARMW-UHFFFAOYSA-N 1 0 396.329 2.997 20 0 GFADRO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N1CCN(C(=O)c2c(Cl)cccc2Cl)CC1 ZINC000332106787 563576998 /nfs/dbraw/zinc/57/69/98/563576998.db2.gz HERJBGSIEIPCGQ-STQMWFEESA-N 1 0 384.307 2.666 20 0 GFADRO C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@@H]2CCc3cc(Br)ccc32)C[C@@H]1C ZINC000332225913 563585273 /nfs/dbraw/zinc/58/52/73/563585273.db2.gz BUNDLGGDKOGMLQ-GDZNZVCISA-N 1 0 396.329 2.533 20 0 GFADRO CCCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@H+](C[C@@](C)(O)C(F)(F)F)C1 ZINC000410386918 563589015 /nfs/dbraw/zinc/58/90/15/563589015.db2.gz DYRCNARBTWFTNT-WCQYABFASA-N 1 0 378.357 2.813 20 0 GFADRO COC[C@H]([NH2+][C@@H](C)C(=O)Nc1ccc(Br)c(C)c1)[C@H]1CCCO1 ZINC000432648169 563590501 /nfs/dbraw/zinc/59/05/01/563590501.db2.gz VKUAPWNLTVTVTI-VBNZEHGJSA-N 1 0 385.302 2.868 20 0 GFADRO O=C(Nc1cc(Br)ccc1F)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000332297860 563590853 /nfs/dbraw/zinc/59/08/53/563590853.db2.gz HECLFNODYDXYNL-ZDUSSCGKSA-N 1 0 398.276 2.614 20 0 GFADRO C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@@H]2CCSc3ccc(Cl)cc32)[C@H](C)C1 ZINC000332326825 563593439 /nfs/dbraw/zinc/59/34/39/563593439.db2.gz JGMGDTYTWFQPLQ-DVOMOZLQSA-N 1 0 383.945 2.973 20 0 GFADRO C[C@H](Cn1cc(Br)cn1)[NH2+]Cc1ccncc1OC[C@@H]1CCOC1 ZINC000287342129 563597637 /nfs/dbraw/zinc/59/76/37/563597637.db2.gz NAWNXZIZQCUTPU-ZIAGYGMSSA-N 1 0 395.301 2.634 20 0 GFADRO CC(C)(C)[N@@H+]1C[C@@H](C(=O)N[C@@]2(C(F)(F)F)CCOC2)[C@H](C(F)(F)F)C1 ZINC000410858769 563597777 /nfs/dbraw/zinc/59/77/77/563597777.db2.gz MDSRELINKOQHKJ-BREBYQMCSA-N 1 0 376.341 2.733 20 0 GFADRO CCCN(CCC[NH+](C)C)C(=O)C(=O)N(C)Cc1cccc(Br)c1 ZINC000410903277 563599128 /nfs/dbraw/zinc/59/91/28/563599128.db2.gz BKVBOKKLRHPORL-UHFFFAOYSA-N 1 0 398.345 2.598 20 0 GFADRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)N1CCc2c(Cl)cc(Cl)cc2[C@@H]1C ZINC000332512989 563602744 /nfs/dbraw/zinc/60/27/44/563602744.db2.gz VONAMMMPOYLNMX-OHUAYANFSA-N 1 0 384.307 2.553 20 0 GFADRO C[C@H](C(=O)Nc1ccc(Br)cc1)[N@@H+]1CC[C@H](C(=O)N2CCCC2)C1 ZINC000287508384 563604470 /nfs/dbraw/zinc/60/44/70/563604470.db2.gz UJFVZLDLSVELMP-KGLIPLIRSA-N 1 0 394.313 2.720 20 0 GFADRO COc1cc(C[NH2+]Cc2ccc(NC(C)=O)nc2)cc(Br)c1O ZINC000433176348 563604916 /nfs/dbraw/zinc/60/49/16/563604916.db2.gz BBCDAXHVPWHUJQ-UHFFFAOYSA-N 1 0 380.242 2.807 20 0 GFADRO C[C@@H]1C[C@@H](C)N(C(=O)Cc2cc3c(cc2Br)OCCO3)C[C@@H]1C[NH3+] ZINC000332567074 563605162 /nfs/dbraw/zinc/60/51/62/563605162.db2.gz AACMZJOEDSCYSU-BZPMIXESSA-N 1 0 397.313 2.595 20 0 GFADRO C[C@@H]1CN(C(=O)C(=O)N2CCc3c(Cl)cc(Cl)cc3[C@H]2C)CC[C@@H]1[NH3+] ZINC000332581291 563605955 /nfs/dbraw/zinc/60/59/55/563605955.db2.gz GENPIDAGRXJMGL-UVWXRNBGSA-N 1 0 384.307 2.635 20 0 GFADRO CC[NH+](CC)[C@@H]1CCN([C@@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000433240065 563607706 /nfs/dbraw/zinc/60/77/06/563607706.db2.gz JZWYBKVFCSAMOL-IAGOWNOFSA-N 1 0 380.330 2.971 20 0 GFADRO C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](Cc3ccc(Br)cc3)C2)C[C@@H](C)O1 ZINC000433319346 563609055 /nfs/dbraw/zinc/60/90/55/563609055.db2.gz ODLNDDMOYSZHEZ-BFYDXBDKSA-N 1 0 395.341 2.949 20 0 GFADRO CN(C)c1cc(NC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)ncc1Br ZINC000332640428 563609671 /nfs/dbraw/zinc/60/96/71/563609671.db2.gz VUQBQIFHNUXBPN-LBPRGKRZSA-N 1 0 382.306 2.612 20 0 GFADRO O=C1NC2(CCCC2)C(=O)N1CCC[NH2+]Cc1ncc(C(F)(F)F)s1 ZINC000433339602 563609786 /nfs/dbraw/zinc/60/97/86/563609786.db2.gz LVAQHZZODKZPPS-UHFFFAOYSA-N 1 0 376.404 2.506 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)N[C@H]1CCN(c2ccccc2Br)C1 ZINC000332651556 563610188 /nfs/dbraw/zinc/61/01/88/563610188.db2.gz ILBUZYXVDJIQCL-OFQRWUPVSA-N 1 0 395.345 2.939 20 0 GFADRO CN(Cc1c(F)c(F)c(Br)c(F)c1F)C1CC[NH+](CCO)CC1 ZINC000411240473 563611367 /nfs/dbraw/zinc/61/13/67/563611367.db2.gz NONASMBXEJNIQB-UHFFFAOYSA-N 1 0 399.226 2.894 20 0 GFADRO C[NH2+]C(C)(C)CNC(=O)Nc1ccc(-c2ccc(Br)s2)nn1 ZINC000433507221 563614337 /nfs/dbraw/zinc/61/43/37/563614337.db2.gz QWMHDCYZMBZFKL-UHFFFAOYSA-N 1 0 384.303 3.087 20 0 GFADRO CC(C)[N@H+](C)CCNC(=O)Nc1ccc(-c2ccc(Br)s2)nn1 ZINC000433521610 563615023 /nfs/dbraw/zinc/61/50/23/563615023.db2.gz NSFRZTDWEGGRJO-UHFFFAOYSA-N 1 0 398.330 3.429 20 0 GFADRO C[C@@H](NC(=O)C(=O)N(C)CCCn1ccnc1)c1cccc(Cl)c1Cl ZINC000287859432 563620516 /nfs/dbraw/zinc/62/05/16/563620516.db2.gz DTIFDSVSJGQDGH-GFCCVEGCSA-N 1 0 383.279 2.916 20 0 GFADRO [NH3+][C@H]1CCCO[C@@H]1C1CCN(Cc2cnc3ccc(Br)cn23)CC1 ZINC000333109804 563620842 /nfs/dbraw/zinc/62/08/42/563620842.db2.gz GFAYAHDGJGQBHN-FUHWJXTLSA-N 1 0 393.329 2.815 20 0 GFADRO COc1cc(Br)c(NC(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)cc1OC ZINC000333117169 563621469 /nfs/dbraw/zinc/62/14/69/563621469.db2.gz HOZDVZIXNXXXLV-MNOVXSKESA-N 1 0 384.274 2.540 20 0 GFADRO COCC[N@@H+]1CC[C@H](NC(=O)N(C)Cc2ccc(Br)cc2C)C1 ZINC000433905010 563623262 /nfs/dbraw/zinc/62/32/62/563623262.db2.gz VSWBZYKXWLJDAP-INIZCTEOSA-N 1 0 384.318 2.620 20 0 GFADRO CCn1cc([C@@H]2NC(=O)CC[C@H]2[NH2+]Cc2cc(F)ccc2Br)cn1 ZINC000433978919 563623869 /nfs/dbraw/zinc/62/38/69/563623869.db2.gz NBYMYSKYVALHGG-WBVHZDCISA-N 1 0 395.276 2.914 20 0 GFADRO [NH3+][C@@H]1CCCO[C@H]1C1CCN(C(=O)Cc2ccc(Br)s2)CC1 ZINC000333281280 563626655 /nfs/dbraw/zinc/62/66/55/563626655.db2.gz MNQUZZFPWZHZFC-CJNGLKHVSA-N 1 0 387.343 2.798 20 0 GFADRO O=C(Nc1ccc2nccnc2c1Br)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000333270926 563626672 /nfs/dbraw/zinc/62/66/72/563626672.db2.gz GBCIIZPUASBMGQ-KRWDZBQOSA-N 1 0 390.285 3.000 20 0 GFADRO O=C(COc1c(Cl)cccc1Cl)N1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000333322089 563627846 /nfs/dbraw/zinc/62/78/46/563627846.db2.gz URQGUVZSVAQOHL-DOMZBBRYSA-N 1 0 385.291 2.599 20 0 GFADRO [NH3+][C@@H]1CCO[C@@H](C2CCN(C(=O)c3ccc(F)cc3Br)CC2)C1 ZINC000333326718 563628021 /nfs/dbraw/zinc/62/80/21/563628021.db2.gz VJDCXHHBFOQCMQ-CZUORRHYSA-N 1 0 385.277 2.947 20 0 GFADRO O=C(c1cc(F)ccc1Br)N1CCC(n2ncc3c2C[NH2+]C3)CC1 ZINC000333373013 563629509 /nfs/dbraw/zinc/62/95/09/563629509.db2.gz FYBNIBFISMIJOP-UHFFFAOYSA-N 1 0 393.260 2.865 20 0 GFADRO Cc1ccc(Br)c(NC(=O)C(=O)NCC[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000411678480 563629523 /nfs/dbraw/zinc/62/95/23/563629523.db2.gz VDGDGTMLYIPDOR-ZDUSSCGKSA-N 1 0 382.302 2.544 20 0 GFADRO C[C@H]([NH2+][C@@H](c1cncc(Br)c1)C1CC1)C(=O)NCC(F)(F)F ZINC000411704654 563630417 /nfs/dbraw/zinc/63/04/17/563630417.db2.gz UKFNHWYRIMYLON-QPUJVOFHSA-N 1 0 380.208 2.952 20 0 GFADRO CC[N@H+](CCNC(=O)C(=O)Nc1ccc(Br)c(C)c1F)C(C)C ZINC000434588386 563632240 /nfs/dbraw/zinc/63/22/40/563632240.db2.gz UIYOSJUMDXRZJQ-UHFFFAOYSA-N 1 0 388.281 2.682 20 0 GFADRO CC(C)N(C)C(=O)C[NH2+][C@H](C)c1ccc(Br)cc1OCCCO ZINC000411743250 563632469 /nfs/dbraw/zinc/63/24/69/563632469.db2.gz GYNQSXYHGHAMRR-CYBMUJFWSA-N 1 0 387.318 2.728 20 0 GFADRO [NH3+][C@H]1CCCO[C@H]1C1CCN(S(=O)(=O)c2ccc(C(F)(F)F)s2)CC1 ZINC000333499421 563634018 /nfs/dbraw/zinc/63/40/18/563634018.db2.gz FEWVFYCSOWMNDE-FZMZJTMJSA-N 1 0 398.472 2.674 20 0 GFADRO C[N@H+](CCN1CCOC(C)(C)C1)Cc1cc2c(c(Br)c1)OCO2 ZINC000434709744 563635622 /nfs/dbraw/zinc/63/56/22/563635622.db2.gz VOCFUCBQEPDRJS-UHFFFAOYSA-N 1 0 385.302 2.720 20 0 GFADRO COc1cc(C)cc(C)c1S(=O)(=O)N1C[C@@H]([NH+]2CCCC2)[C@@H](SC)C1 ZINC000434730736 563636463 /nfs/dbraw/zinc/63/64/63/563636463.db2.gz SVIINATXPIZWDZ-WBVHZDCISA-N 1 0 384.567 2.512 20 0 GFADRO O=C(C[C@H]1CSCC[NH2+]1)NCCCCc1nc(-c2cccnc2)cs1 ZINC000434873320 563639632 /nfs/dbraw/zinc/63/96/32/563639632.db2.gz JBEDBKNBNODOPC-HNNXBMFYSA-N 1 0 376.551 2.739 20 0 GFADRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)N[C@H](c3cncc(Br)c3)C3CC3)C[C@H]12 ZINC000333720823 563640714 /nfs/dbraw/zinc/64/07/14/563640714.db2.gz GOMBXGSSVHVBCG-CAPXZKIUSA-N 1 0 379.302 2.674 20 0 GFADRO [NH3+][C@@H]1CCCO[C@H]1C1CCN(C(=O)c2cc(F)cc(Br)c2)CC1 ZINC000333766423 563641688 /nfs/dbraw/zinc/64/16/88/563641688.db2.gz BINJNPXBHVPGDU-CVEARBPZSA-N 1 0 385.277 2.947 20 0 GFADRO O=C([C@@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1)N1CCC2(CC[NH2+]2)CC1 ZINC000333788240 563641795 /nfs/dbraw/zinc/64/17/95/563641795.db2.gz FTHFLVPLQDKUKY-GFCCVEGCSA-N 1 0 382.291 2.701 20 0 GFADRO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000333785354 563641873 /nfs/dbraw/zinc/64/18/73/563641873.db2.gz LPVOFGWNCHTGMT-COLVAYQJSA-N 1 0 385.295 2.538 20 0 GFADRO OC[C@@H]([NH2+]Cc1cccc(Br)c1OC(F)F)[C@@H]1CCCOC1 ZINC000411981351 563643140 /nfs/dbraw/zinc/64/31/40/563643140.db2.gz AFLUFYYCJDUDIF-DGCLKSJQSA-N 1 0 380.229 2.928 20 0 GFADRO Cc1nc2sccn2c1CN(C)C(=O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000411982375 563643432 /nfs/dbraw/zinc/64/34/32/563643432.db2.gz KGHVVWHSUFXXHZ-HNNXBMFYSA-N 1 0 378.567 2.880 20 0 GFADRO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)Nc1cc(Br)cn(C)c1=O ZINC000435177568 563643788 /nfs/dbraw/zinc/64/37/88/563643788.db2.gz OBKNPQALTPDOSE-AWEZNQCLSA-N 1 0 399.333 2.924 20 0 GFADRO O=C(c1cn(-c2ccc(Br)cc2)cn1)N1CCC2(CC[NH2+]2)CC1 ZINC000333885279 563644402 /nfs/dbraw/zinc/64/44/02/563644402.db2.gz XBSISPZUDFDRQB-UHFFFAOYSA-N 1 0 375.270 2.603 20 0 GFADRO CCOC(=O)COc1c(Br)cc(C)cc1CN1CC[C@H](C[NH2+]C)C1 ZINC000435381279 563648751 /nfs/dbraw/zinc/64/87/51/563648751.db2.gz VXUCLNFTRGUUFR-CQSZACIVSA-N 1 0 399.329 2.741 20 0 GFADRO CC(C)[N@@H+](CC(=O)N[C@@H](C)c1ccc(Br)cc1)C[C@@H]1CCC(=O)N1 ZINC000412096388 563648671 /nfs/dbraw/zinc/64/86/71/563648671.db2.gz YSIHYYJLFUPPTM-BBRMVZONSA-N 1 0 396.329 2.615 20 0 GFADRO CCOC(=O)COc1c(Br)cc(C)cc1CN1CCC([NH3+])CC1 ZINC000435368634 563649099 /nfs/dbraw/zinc/64/90/99/563649099.db2.gz BXSQHRAMMXAYGM-UHFFFAOYSA-N 1 0 385.302 2.623 20 0 GFADRO O=C(NCc1nc(-c2cccs2)c[nH]1)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000334030176 563650509 /nfs/dbraw/zinc/65/05/09/563650509.db2.gz KFQXBZYXGOUNMX-AWEZNQCLSA-N 1 0 376.551 2.972 20 0 GFADRO O=C(Nc1n[nH]cc1Br)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000412342111 563654489 /nfs/dbraw/zinc/65/44/89/563654489.db2.gz GLWOHKZKDCRJSG-LBPRGKRZSA-N 1 0 381.249 3.162 20 0 GFADRO C[C@@H](C(=O)N[C@H](CO)c1ccc(Br)c(F)c1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000412370040 563655538 /nfs/dbraw/zinc/65/55/38/563655538.db2.gz WSGWLZGAVRWVKT-MEQWQQMJSA-N 1 0 387.293 2.999 20 0 GFADRO Cc1ncsc1CN(CC(=O)N(C)Cc1cccs1)C[C@@H]1CC[NH2+]C1 ZINC000435722284 563657183 /nfs/dbraw/zinc/65/71/83/563657183.db2.gz MJWPRNGOVVSACC-OAHLLOKOSA-N 1 0 378.567 2.583 20 0 GFADRO CC[NH+]1CCN(c2ccc(CNC(=O)c3ccoc3Br)cn2)CC1 ZINC000435961042 563661611 /nfs/dbraw/zinc/66/16/11/563661611.db2.gz ALTRTTVCFVCEIG-UHFFFAOYSA-N 1 0 393.285 2.509 20 0 GFADRO CN(CC[NH2+][C@H]1Cc2ccc(Cl)cc2C1)S(=O)(=O)c1ccc(F)cc1 ZINC000436315805 563669178 /nfs/dbraw/zinc/66/91/78/563669178.db2.gz QFZRPDMDXGMYFK-KRWDZBQOSA-N 1 0 382.888 2.857 20 0 GFADRO CC[C@H]([NH2+]CC1([S@@](C)=O)CCC1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000436300607 563669243 /nfs/dbraw/zinc/66/92/43/563669243.db2.gz KCRXOCIRFOCVBY-LFVRLGFBSA-N 1 0 392.974 2.590 20 0 GFADRO CC[C@@H](Cc1ccccc1Br)C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000289175383 563670896 /nfs/dbraw/zinc/67/08/96/563670896.db2.gz HWJBMLYTJKFIER-DOTOQJQBSA-N 1 0 394.357 2.524 20 0 GFADRO CN(C)CC[N@H+](C)CCCNC(=O)Nc1ccc(Cl)cc1OC(F)F ZINC000436513737 563672666 /nfs/dbraw/zinc/67/26/66/563672666.db2.gz VECLMBOCGPWVEK-UHFFFAOYSA-N 1 0 378.851 2.946 20 0 GFADRO C[C@H]([NH2+]C[C@@](C)(O)CNC(=O)OC(C)(C)C)c1ccc(Br)cn1 ZINC000289469652 563675094 /nfs/dbraw/zinc/67/50/94/563675094.db2.gz WUVSCNJQIDQBRL-MEDUHNTESA-N 1 0 388.306 2.770 20 0 GFADRO CN(Cc1cc(Br)cs1)C(=O)C[NH2+][C@H](CO)C1CCCC1 ZINC000289474565 563675231 /nfs/dbraw/zinc/67/52/31/563675231.db2.gz IGHFXDCWZXEFSA-CQSZACIVSA-N 1 0 375.332 2.610 20 0 GFADRO C[C@H](O)c1ncc(CN(C)CCCOc2cccc(S(C)(=O)=O)c2)s1 ZINC000289467571 563675336 /nfs/dbraw/zinc/67/53/36/563675336.db2.gz YUCSUGSIUREASW-ZDUSSCGKSA-N 1 0 384.523 2.501 20 0 GFADRO CC[NH+](CC)[C@H](CNC(=O)N[C@@H]1CCCC(F)(F)[C@H]1O)c1ccsc1 ZINC000413106659 563682311 /nfs/dbraw/zinc/68/23/11/563682311.db2.gz MUVFFOANCUQMJC-KFWWJZLASA-N 1 0 375.485 2.979 20 0 GFADRO CS[C@@H]1CN(C(=O)c2cc(Br)ccc2O)C[C@H]1[NH+]1CCCC1 ZINC000436916463 563684595 /nfs/dbraw/zinc/68/45/95/563684595.db2.gz WMJZEUIJVWHUIP-UKRRQHHQSA-N 1 0 385.327 2.807 20 0 GFADRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)c2cc(I)ccc2O)C1 ZINC000436937848 563686069 /nfs/dbraw/zinc/68/60/69/563686069.db2.gz JQVVBXBTNHVAAO-NEPJUHHUSA-N 1 0 388.249 2.599 20 0 GFADRO C[C@@H]([NH2+]C[C@@H](O)CN1CCc2ccccc2C1)c1ccc(Br)nc1 ZINC000289827817 563687990 /nfs/dbraw/zinc/68/79/90/563687990.db2.gz QCSMGDDVRYHMTK-RDTXWAMCSA-N 1 0 390.325 2.914 20 0 GFADRO C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cc(Br)ccc2O)C1 ZINC000437001273 563688602 /nfs/dbraw/zinc/68/86/02/563688602.db2.gz CJKSERQHNCPHAE-JKSUJKDBSA-N 1 0 375.266 2.982 20 0 GFADRO CN(Cc1ncc(Cl)n1C)C(=O)NC1CC[NH+](Cc2cccs2)CC1 ZINC000360000982 563690503 /nfs/dbraw/zinc/69/05/03/563690503.db2.gz UJMQRDMVCWTFFN-UHFFFAOYSA-N 1 0 381.933 2.941 20 0 GFADRO C[N@@H+]1CC[C@H]2CCN(C(=O)c3cc(=O)[nH]c4c(Br)cccc34)[C@H]2C1 ZINC000360023323 563691541 /nfs/dbraw/zinc/69/15/41/563691541.db2.gz YTEKSHPQRJXXSW-NHYWBVRUSA-N 1 0 390.281 2.869 20 0 GFADRO CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCCC(=O)Nc1cc(Br)ccc1C ZINC000290012978 563694387 /nfs/dbraw/zinc/69/43/87/563694387.db2.gz QKZQLXNRWCDCRE-KGLIPLIRSA-N 1 0 382.302 2.590 20 0 GFADRO CC[C@H]1[NH2+]CC[C@@H]1C(=O)NCCC(=O)Nc1cc(Br)ccc1C ZINC000290012983 563694532 /nfs/dbraw/zinc/69/45/32/563694532.db2.gz QKZQLXNRWCDCRE-UONOGXRCSA-N 1 0 382.302 2.590 20 0 GFADRO O=C(Nc1cccc(Br)c1)N1CCC[C@H]1C[N@H+]1CCC[C@@H]1CO ZINC000360890014 563695558 /nfs/dbraw/zinc/69/55/58/563695558.db2.gz QAJWBSFXXWPRSG-JKSUJKDBSA-N 1 0 382.302 2.902 20 0 GFADRO O=S1(=O)CC[C@H](C[NH2+]Cc2cc(C(F)(F)F)ccc2Br)C1 ZINC000290035714 563696175 /nfs/dbraw/zinc/69/61/75/563696175.db2.gz WDOHEUAYZHBTTJ-SECBINFHSA-N 1 0 386.233 2.992 20 0 GFADRO C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000361051698 563696151 /nfs/dbraw/zinc/69/61/51/563696151.db2.gz ZDXPHSWVKDVTOI-GFCCVEGCSA-N 1 0 384.307 2.714 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)c1cc2c(s1)CCS(=O)(=O)C2 ZINC000360899782 563696361 /nfs/dbraw/zinc/69/63/61/563696361.db2.gz BEVSZNLTMZGNOO-CQSZACIVSA-N 1 0 384.567 2.603 20 0 GFADRO CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@H+](Cc2cnc([C@@H](C)O)s2)C1 ZINC000290114681 563698809 /nfs/dbraw/zinc/69/88/09/563698809.db2.gz SZCXXWPFBBYPPZ-VXGBXAGGSA-N 1 0 379.448 2.819 20 0 GFADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)N[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000437803748 563699467 /nfs/dbraw/zinc/69/94/67/563699467.db2.gz TWHBSIPLRCXMBA-ISTRZQFTSA-N 1 0 385.339 2.784 20 0 GFADRO O=C(NC[C@H]1CCC[N@H+](Cc2cccnc2)C1)c1ccncc1Br ZINC000361817887 563701155 /nfs/dbraw/zinc/70/11/55/563701155.db2.gz WRZJTFDBEVGPMG-OAHLLOKOSA-N 1 0 389.297 2.881 20 0 GFADRO O=C(c1cc2c(c(Br)c1)OCO2)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000290231098 563701706 /nfs/dbraw/zinc/70/17/06/563701706.db2.gz UPOSXRRAANKZQV-GFCCVEGCSA-N 1 0 381.270 2.640 20 0 GFADRO C[C@@H](C(=O)N(C)[C@H](C(N)=O)c1cccc(Br)c1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000413666896 563701738 /nfs/dbraw/zinc/70/17/38/563701738.db2.gz HQZUBHIWSNEJOE-ZWUHOBOKSA-N 1 0 396.329 2.695 20 0 GFADRO COc1cc(C(=O)N2CC[C@@H]3CC[N@H+](C)[C@@H]3C2)cc(OC)c1Br ZINC000361907984 563701957 /nfs/dbraw/zinc/70/19/57/563701957.db2.gz MTIDFIZNIKPSQP-WCQYABFASA-N 1 0 383.286 2.633 20 0 GFADRO CSc1ccc(C[N@@H+]2CCC[C@@H](c3n[nH]cc3NS(C)(=O)=O)C2)cc1 ZINC000361970539 563701979 /nfs/dbraw/zinc/70/19/79/563701979.db2.gz PKADEIYFWZSQPC-CQSZACIVSA-N 1 0 380.539 2.883 20 0 GFADRO CC(C)(C)n1cc(C[NH2+][C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)cn1 ZINC000290230610 563702083 /nfs/dbraw/zinc/70/20/83/563702083.db2.gz YJPFUCGJSLBHAK-OAHLLOKOSA-N 1 0 382.555 2.643 20 0 GFADRO CN(CC(F)(F)F)C(=O)C[NH2+][C@H]1CCOc2c(Br)cccc21 ZINC000362020845 563702814 /nfs/dbraw/zinc/70/28/14/563702814.db2.gz IMSYXNKCSVLVRU-NSHDSACASA-N 1 0 381.192 2.883 20 0 GFADRO Cc1ccc(CC(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)cc1Br ZINC000438363947 563705066 /nfs/dbraw/zinc/70/50/66/563705066.db2.gz IOTFMSACDBWVEC-CQSZACIVSA-N 1 0 383.330 2.604 20 0 GFADRO CNS(=O)(=O)CC[NH2+][C@@H](c1ccc(Br)cc1Cl)C1CC1 ZINC000439143237 563718481 /nfs/dbraw/zinc/71/84/81/563718481.db2.gz BEBYJFUBOIEANY-CYBMUJFWSA-N 1 0 381.723 2.692 20 0 GFADRO CSc1ccccc1NC(=O)CN(C)C(=O)[C@@]1([NH+](C)C)CCCSC1 ZINC000362687202 563708569 /nfs/dbraw/zinc/70/85/69/563708569.db2.gz QOJOCWCVIUXBME-GOSISDBHSA-N 1 0 381.567 2.633 20 0 GFADRO O=C(CSc1n[n-]c(=S)s1)NC1CC[NH+](Cc2ccccc2F)CC1 ZINC000363042478 563712883 /nfs/dbraw/zinc/71/28/83/563712883.db2.gz LDLIPTZGHNRIFD-UHFFFAOYSA-N 1 0 398.554 2.839 20 0 GFADRO COCc1c(Br)cccc1NC(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000363070777 563713615 /nfs/dbraw/zinc/71/36/15/563713615.db2.gz XQBFOULAOVBCDV-CHWSQXEVSA-N 1 0 398.301 2.580 20 0 GFADRO O=C(C[N@H+]1CCC[C@H]1Cc1ccc(Br)cc1)NC1CCOCC1 ZINC000363093849 563714307 /nfs/dbraw/zinc/71/43/07/563714307.db2.gz LWVDFGMAWLZSQN-KRWDZBQOSA-N 1 0 381.314 2.751 20 0 GFADRO C[C@H](c1ncc(Br)cn1)N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000438990183 563714873 /nfs/dbraw/zinc/71/48/73/563714873.db2.gz XEXIKXBKRXFWSS-HRCADAONSA-N 1 0 396.377 2.791 20 0 GFADRO O=C(CCCOc1ccccc1Br)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000363117240 563715164 /nfs/dbraw/zinc/71/51/64/563715164.db2.gz FUDGRFIHBWTVDW-CABCVRRESA-N 1 0 397.313 2.588 20 0 GFADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1cc2ccc(Br)cc2[nH]1 ZINC000363176052 563716348 /nfs/dbraw/zinc/71/63/48/563716348.db2.gz DXPOMRZBUVBYFW-KBPBESRZSA-N 1 0 378.270 2.523 20 0 GFADRO O=C(CC[NH+]1CCC(C(=O)NC2CC2)CC1)Nc1cccc(Br)c1 ZINC000363237193 563717586 /nfs/dbraw/zinc/71/75/86/563717586.db2.gz GQJTXLPFBQPLIN-UHFFFAOYSA-N 1 0 394.313 2.768 20 0 GFADRO CC[C@H]([NH2+]CC1CN(S(=O)(=O)CC)C1)c1ccccc1Br ZINC000439133837 563717718 /nfs/dbraw/zinc/71/77/18/563717718.db2.gz TZZGYCQZZLQDIN-HNNXBMFYSA-N 1 0 375.332 2.771 20 0 GFADRO CC(C)Oc1ccc(C[NH2+][C@H](C)Cn2cc(Br)ccc2=O)cn1 ZINC000414076863 563717948 /nfs/dbraw/zinc/71/79/48/563717948.db2.gz QPOYXYZZRCHAJI-CYBMUJFWSA-N 1 0 380.286 2.971 20 0 GFADRO O=C(c1coc(-c2ccc(Br)cc2F)n1)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000290687881 563718636 /nfs/dbraw/zinc/71/86/36/563718636.db2.gz UMONPODAKPGZNM-QWRGUYRKSA-N 1 0 394.244 2.925 20 0 GFADRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2S(=O)(=O)c2ccc(F)cc2Br)C1 ZINC000363331467 563719401 /nfs/dbraw/zinc/71/94/01/563719401.db2.gz JOSBNTIUIAFXCZ-BXUZGUMPSA-N 1 0 391.306 2.693 20 0 GFADRO O=S(=O)(N[C@H]1CC[N@@H+](C2CCCC2)C1)c1ccc(F)c(Br)c1 ZINC000439229239 563719486 /nfs/dbraw/zinc/71/94/86/563719486.db2.gz LDIDNALTPGTELN-NSHDSACASA-N 1 0 391.306 2.883 20 0 GFADRO Cc1ccc2c(Cl)cc(Cl)c(OC[C@H](O)CN3CC[NH+](C)CC3)c2n1 ZINC000414165608 563722060 /nfs/dbraw/zinc/72/20/60/563722060.db2.gz PYRFCUSWLIDAHI-CYBMUJFWSA-N 1 0 384.307 2.837 20 0 GFADRO C[C@H]1[N@H+](C[C@@H](O)COc2cc(F)cc(Br)c2)CCOC1(C)C ZINC000439422778 563723687 /nfs/dbraw/zinc/72/36/87/563723687.db2.gz NLKPZTQVURYHIY-BXUZGUMPSA-N 1 0 376.266 2.827 20 0 GFADRO Brc1cc(C[NH2+]Cc2c[nH]c3nccnc23)cc2c1OCCO2 ZINC000290870470 563724293 /nfs/dbraw/zinc/72/42/93/563724293.db2.gz LHENIBGVJUQUQN-UHFFFAOYSA-N 1 0 375.226 2.781 20 0 GFADRO CC[C@H](O)[C@@H]1CCCC[N@@H+]1C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000439437912 563724526 /nfs/dbraw/zinc/72/45/26/563724526.db2.gz LBMVBBRUHBSZAU-PVAVHDDUSA-N 1 0 390.293 2.953 20 0 GFADRO C[N@H+](CCOCC1CC1)C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000439439112 563724560 /nfs/dbraw/zinc/72/45/60/563724560.db2.gz LKAIBYIYLTZJSP-HNNXBMFYSA-N 1 0 376.266 2.686 20 0 GFADRO O[C@H](COc1ccccc1)C[NH+]1CCC(n2cc(Br)cn2)CC1 ZINC000363496621 563724570 /nfs/dbraw/zinc/72/45/70/563724570.db2.gz QSDFCGAMXGKPNW-INIZCTEOSA-N 1 0 380.286 2.722 20 0 GFADRO CC(C)[C@H](CNCc1ccc(S(N)(=O)=O)c(Cl)c1)[NH+]1CCCCCC1 ZINC000414270827 563724820 /nfs/dbraw/zinc/72/48/20/563724820.db2.gz LXBAAGKOEIMGBP-KRWDZBQOSA-N 1 0 387.977 2.978 20 0 GFADRO CC[C@H]1C[N@H+](C[C@@H](O)COc2cc(F)cc(Br)c2)CCCO1 ZINC000439484164 563727428 /nfs/dbraw/zinc/72/74/28/563727428.db2.gz OECDBHDYFSAJCV-CABCVRRESA-N 1 0 376.266 2.829 20 0 GFADRO NC(=O)c1cn(CCCC[NH2+][C@H](c2ccc(Br)s2)C2CC2)nn1 ZINC000414344536 563728243 /nfs/dbraw/zinc/72/82/43/563728243.db2.gz CSGMSRNDJFHJQQ-AWEZNQCLSA-N 1 0 398.330 2.722 20 0 GFADRO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NCc1ccc(S(N)(=O)=O)c(Cl)c1 ZINC000414370687 563730131 /nfs/dbraw/zinc/73/01/31/563730131.db2.gz VRHWPSUVPRFPHW-RDJZCZTQSA-N 1 0 387.977 2.978 20 0 GFADRO CO[C@H](c1ccc(F)cc1)[C@@H](C)[NH2+]Cc1ccc(S(N)(=O)=O)c(Cl)c1 ZINC000414367045 563730307 /nfs/dbraw/zinc/73/03/07/563730307.db2.gz PGNISJDIRKITMT-DIFFPNOSSA-N 1 0 386.876 2.992 20 0 GFADRO CN1C(=O)C[C@@H]([NH2+]Cc2ccc(S(C)(=O)=O)s2)[C@@H]1c1ccc(Cl)cc1 ZINC000414372240 563730590 /nfs/dbraw/zinc/73/05/90/563730590.db2.gz ZJRVAQCSTQHVHG-PBHICJAKSA-N 1 0 398.937 2.867 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+][C@H]2CCCC(F)(F)C2)cc1Br ZINC000414386029 563732163 /nfs/dbraw/zinc/73/21/63/563732163.db2.gz XPWQNYDNCDGOTD-JTQLQIEISA-N 1 0 383.258 2.764 20 0 GFADRO COC(=O)c1scc(C)c1S(=O)(=O)Nc1ccc(C[NH+](C)C)cc1F ZINC000414393425 563733037 /nfs/dbraw/zinc/73/30/37/563733037.db2.gz GLDLFEPUBCZDKZ-UHFFFAOYSA-N 1 0 386.470 2.845 20 0 GFADRO Cc1ccc([C@H](O)C[NH2+]C2CCN(S(=O)(=O)c3cccs3)CC2)cc1 ZINC000363810217 563733819 /nfs/dbraw/zinc/73/38/19/563733819.db2.gz BRDHCBNUWRNGCM-QGZVFWFLSA-N 1 0 380.535 2.533 20 0 GFADRO CN1CC[NH+](CC2(C)CCN(C(=O)c3coc(Br)c3)CC2)CC1 ZINC000363814857 563734181 /nfs/dbraw/zinc/73/41/81/563734181.db2.gz DUJGRZPEIOASSZ-UHFFFAOYSA-N 1 0 384.318 2.532 20 0 GFADRO COC(=O)c1ccc(S(=O)(=O)N[C@@H](C)[C@@H](c2ccccc2)[NH+](C)C)s1 ZINC000440079492 563735565 /nfs/dbraw/zinc/73/55/65/563735565.db2.gz YKCJEDZJRRVEEO-LRDDRELGSA-N 1 0 382.507 2.504 20 0 GFADRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NS(=O)(=O)c1ccc(Br)cc1 ZINC000440083726 563736392 /nfs/dbraw/zinc/73/63/92/563736392.db2.gz UVTNSXLTJDYRFN-QWHCGFSZSA-N 1 0 375.332 2.848 20 0 GFADRO Cc1cc(Br)ccc1C(=O)N1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000363923875 563736804 /nfs/dbraw/zinc/73/68/04/563736804.db2.gz SUORGDHWCFCBGM-KRWDZBQOSA-N 1 0 394.357 2.998 20 0 GFADRO CCc1ncc(C[NH2+]C[C@@H](CO)Cc2ccc(F)c(Br)c2)cn1 ZINC000414453505 563739201 /nfs/dbraw/zinc/73/92/01/563739201.db2.gz BSDXBPIHLIEGIY-ZDUSSCGKSA-N 1 0 382.277 2.881 20 0 GFADRO CSc1ccccc1S(=O)(=O)N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000414456370 563739644 /nfs/dbraw/zinc/73/96/44/563739644.db2.gz DFMCXUXQUBHIHW-INIZCTEOSA-N 1 0 384.567 2.674 20 0 GFADRO C[N@@H+]1C[C@@H](NS(=O)(=O)Cc2cc(Cl)ccc2F)[C@@H](c2ccccc2)C1 ZINC000414457853 563739903 /nfs/dbraw/zinc/73/99/03/563739903.db2.gz GUJLMTOOMRCRHZ-SJLPKXTDSA-N 1 0 382.888 2.996 20 0 GFADRO CSc1ccc(S(=O)(=O)N2CC[C@H](OCC[NH+]3CCCCC3)C2)cc1 ZINC000414457207 563739988 /nfs/dbraw/zinc/73/99/88/563739988.db2.gz FYWMMNMWLXLVHB-INIZCTEOSA-N 1 0 384.567 2.674 20 0 GFADRO C[C@@H](NS(=O)(=O)c1cc(Br)sc1Cl)[C@H]1CCC[NH2+]C1 ZINC000440355794 563740121 /nfs/dbraw/zinc/74/01/21/563740121.db2.gz GPLNDVLODODJMI-SFYZADRCSA-N 1 0 387.752 2.830 20 0 GFADRO COc1cc(C)c(Br)cc1S(=O)(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000440412981 563741285 /nfs/dbraw/zinc/74/12/85/563741285.db2.gz WGRUDEGHTOXKPX-NEPJUHHUSA-N 1 0 391.331 2.514 20 0 GFADRO [NH3+]C[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1cc(Br)sc1Cl ZINC000440405218 563741667 /nfs/dbraw/zinc/74/16/67/563741667.db2.gz ITZNLJHQHFEXJC-YUMQZZPRSA-N 1 0 387.752 2.960 20 0 GFADRO CC(C)(CC[NH2+]Cc1cccc(I)c1)S(C)(=O)=O ZINC000414513499 563745089 /nfs/dbraw/zinc/74/50/89/563745089.db2.gz GFVIPSBDIUAYEJ-UHFFFAOYSA-N 1 0 381.279 2.594 20 0 GFADRO CC(C)NC(=O)[C@@H](C)[NH2+]Cc1cc(Br)cc(Br)c1N ZINC000414540134 563745745 /nfs/dbraw/zinc/74/57/45/563745745.db2.gz FWCYWGKOHKJQSF-MRVPVSSYSA-N 1 0 393.123 2.797 20 0 GFADRO CCS(=O)(=O)CCC[NH2+]Cc1cc(Br)c2c(c1)OCCCO2 ZINC000414542494 563745925 /nfs/dbraw/zinc/74/59/25/563745925.db2.gz LDASINSUHMMHAU-UHFFFAOYSA-N 1 0 392.315 2.525 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+][C@H](C)C(=O)NC(C)C ZINC000414541370 563746024 /nfs/dbraw/zinc/74/60/24/563746024.db2.gz IXIGAJAEYSMCPG-CYBMUJFWSA-N 1 0 379.302 2.946 20 0 GFADRO CC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCCN2C(=O)c2ccc(Cl)s2)C1 ZINC000364298973 563749124 /nfs/dbraw/zinc/74/91/24/563749124.db2.gz XZOFVRZFQPXEKZ-KGLIPLIRSA-N 1 0 383.945 2.806 20 0 GFADRO CNC(=O)CC[C@H]1CCCC[N@@H+]1Cc1cn2ccc(Br)cc2n1 ZINC000291599765 563749378 /nfs/dbraw/zinc/74/93/78/563749378.db2.gz QKMJEWJGLNSUDN-OAHLLOKOSA-N 1 0 379.302 2.978 20 0 GFADRO O=C(Nc1ccc(Cl)cc1Cl)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000414678925 563749915 /nfs/dbraw/zinc/74/99/15/563749915.db2.gz YOSNTQQOYOOZEH-ZBFHGGJFSA-N 1 0 385.295 2.762 20 0 GFADRO C[C@@H]1CCN(C(=O)Nc2nnc(SCc3ccccc3)s2)[C@@H](C[NH3+])C1 ZINC000414716536 563751180 /nfs/dbraw/zinc/75/11/80/563751180.db2.gz YJPOALVATSRGDP-TZMCWYRMSA-N 1 0 377.539 3.422 20 0 GFADRO C[S@@](=O)C1(C[NH2+]Cc2c(Br)cncc2Br)CCC1 ZINC000291637675 563751563 /nfs/dbraw/zinc/75/15/63/563751563.db2.gz SXKPXZZCIJWIEX-GOSISDBHSA-N 1 0 396.148 2.997 20 0 GFADRO Cc1cc(F)c(Br)cc1S(=O)(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000440838545 563751798 /nfs/dbraw/zinc/75/17/98/563751798.db2.gz SOAKBUZASVTCRG-MISXGVKJSA-N 1 0 391.306 2.645 20 0 GFADRO [NH3+]C[C@@H](NC(=O)Nc1ccc(I)cc1Cl)C1CC1 ZINC000414787841 563752669 /nfs/dbraw/zinc/75/26/69/563752669.db2.gz CTSMZVMQMWASPE-LLVKDONJSA-N 1 0 379.629 2.803 20 0 GFADRO CC(C)(C)[C@H](C[NH3+])NC(=O)Nc1cc(Br)ccc1N1CCOCC1 ZINC000414926039 563754520 /nfs/dbraw/zinc/75/45/20/563754520.db2.gz JRGWHNMKZSHEMF-HNNXBMFYSA-N 1 0 399.333 2.781 20 0 GFADRO C[C@H](COc1ccc2cc(Br)ccc2c1)[NH2+]C[C@H]1CNCCN1C ZINC000414968874 563755082 /nfs/dbraw/zinc/75/50/82/563755082.db2.gz DGKLYPFGRIZAHH-RDTXWAMCSA-N 1 0 392.341 2.863 20 0 GFADRO COCC1(C[NH2+]Cc2cc(Br)c3c(c2)OCCO3)CCOCC1 ZINC000291748519 563757279 /nfs/dbraw/zinc/75/72/79/563757279.db2.gz PXFOJDHKHQSNTI-UHFFFAOYSA-N 1 0 386.286 2.753 20 0 GFADRO COc1ccc(I)c(NC(=O)N2CC[C@@H]([NH3+])[C@@H](C)C2)c1 ZINC000415071856 563758043 /nfs/dbraw/zinc/75/80/43/563758043.db2.gz LBCUZBSLYROQHP-JOYOIKCWSA-N 1 0 389.237 2.501 20 0 GFADRO O=S(=O)(NCC[NH2+]Cc1cnc(C2CCC2)s1)c1ccc(F)cc1F ZINC000441332711 563758312 /nfs/dbraw/zinc/75/83/12/563758312.db2.gz RQPBAVPIHIQTAD-UHFFFAOYSA-N 1 0 387.477 2.757 20 0 GFADRO COc1ccc(I)c(NC(=O)N[C@H]2CC[NH2+][C@H](C)C2)c1 ZINC000415075638 563758556 /nfs/dbraw/zinc/75/85/56/563758556.db2.gz QZYFXWAIRMLSOS-ZJUUUORDSA-N 1 0 389.237 2.562 20 0 GFADRO COc1ccc(I)c(NC(=O)N[C@@H](C[NH3+])C(C)(C)C)c1 ZINC000415078382 563758612 /nfs/dbraw/zinc/75/86/12/563758612.db2.gz VOXMTTINPVRGQO-LBPRGKRZSA-N 1 0 391.253 2.795 20 0 GFADRO CC(C)n1ncc2c1C[C@H]([NH2+][C@@H](C(N)=O)c1cccc(Br)c1)CC2 ZINC000364583650 563758730 /nfs/dbraw/zinc/75/87/30/563758730.db2.gz UJPKZSIOYFKQDI-NVXWUHKLSA-N 1 0 391.313 2.900 20 0 GFADRO C[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccc(Cl)cn2)[C@@H]1c1cccs1 ZINC000364612484 563759227 /nfs/dbraw/zinc/75/92/27/563759227.db2.gz BKKFLNUYFMIKML-XHDPSFHLSA-N 1 0 378.885 2.544 20 0 GFADRO O=C(Nc1cc(Cl)ccc1N1CCSCC1)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000415127847 563760124 /nfs/dbraw/zinc/76/01/24/563760124.db2.gz WJUXACNUCOUSQK-ZIAGYGMSSA-N 1 0 380.945 2.966 20 0 GFADRO O=C(Nc1cc(Cl)ccc1N1CCSCC1)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000415127842 563760223 /nfs/dbraw/zinc/76/02/23/563760223.db2.gz WJUXACNUCOUSQK-KGLIPLIRSA-N 1 0 380.945 2.966 20 0 GFADRO C[C@@H]1CN(C(=O)Nc2cc(F)c(I)c(F)c2)CC[C@H]1[NH3+] ZINC000415127219 563760410 /nfs/dbraw/zinc/76/04/10/563760410.db2.gz VOHPPRGOEXSRLI-RDDDGLTNSA-N 1 0 395.191 2.770 20 0 GFADRO [NH3+]C[C@@H](NC(=O)Nc1ccc(CCn2cc(Br)cn2)cc1)C1CC1 ZINC000415206291 563762465 /nfs/dbraw/zinc/76/24/65/563762465.db2.gz CKDJXJLMMGKQDN-MRXNPFEDSA-N 1 0 392.301 2.747 20 0 GFADRO CS(=O)(=O)Nc1ccc(NC(=O)N[C@@H](C[NH3+])C2CCCCC2)cc1Cl ZINC000415199387 563762567 /nfs/dbraw/zinc/76/25/67/563762567.db2.gz HJTRVWMCDQABHF-HNNXBMFYSA-N 1 0 388.921 2.741 20 0 GFADRO O=C(NCC1=CC[NH2+]CC1)Nc1cc(F)c(F)cc1I ZINC000415241174 563763528 /nfs/dbraw/zinc/76/35/28/563763528.db2.gz RLGCLLHMYDEELQ-UHFFFAOYSA-N 1 0 393.175 2.611 20 0 GFADRO CC(C)Oc1cc(Br)cc(NC(=O)N2CCCO[C@H](C[NH3+])C2)c1 ZINC000415252569 563764243 /nfs/dbraw/zinc/76/42/43/563764243.db2.gz HEQIHQHZCQPFMI-OAHLLOKOSA-N 1 0 386.290 2.818 20 0 GFADRO [NH3+]C1(CNC(=O)Nc2cc(I)ccc2Cl)CCC1 ZINC000415265268 563765086 /nfs/dbraw/zinc/76/50/86/563765086.db2.gz KBAIJMMBFKJHDU-UHFFFAOYSA-N 1 0 379.629 2.948 20 0 GFADRO COC(=O)c1ccc(S(=O)(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)cc1Cl ZINC000441981954 563766202 /nfs/dbraw/zinc/76/62/02/563766202.db2.gz BHWNUMXTGOALSZ-HNNXBMFYSA-N 1 0 390.933 2.771 20 0 GFADRO C[NH2+]CCN(C)C(=O)Nc1cccc(Oc2ncc(Br)cn2)c1 ZINC000415307876 563766790 /nfs/dbraw/zinc/76/67/90/563766790.db2.gz WPWFKEWJYKDNKX-UHFFFAOYSA-N 1 0 380.246 2.715 20 0 GFADRO Cc1cc(NC(=O)C(=O)NCC2([NH3+])CCCCCC2)ccc1Br ZINC000415320086 563766837 /nfs/dbraw/zinc/76/68/37/563766837.db2.gz UVCJKVFIZFULBK-UHFFFAOYSA-N 1 0 382.302 2.864 20 0 GFADRO CCOC(=O)c1c(NC(=O)N2CC[C@H]([C@H](C)[NH3+])C2)sc2c1CCSC2 ZINC000415327789 563767441 /nfs/dbraw/zinc/76/74/41/563767441.db2.gz BPBSPVTZKBPAFL-QWRGUYRKSA-N 1 0 383.539 2.915 20 0 GFADRO COC(=O)c1cc(Br)ccc1NC(=O)N1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000415325025 563767574 /nfs/dbraw/zinc/76/75/74/563767574.db2.gz FMDIUDQDCGRSAA-QMTHXVAHSA-N 1 0 384.274 2.969 20 0 GFADRO Cc1csc(Sc2ccc(NC(=O)C(=O)N[C@@H]3CC[NH2+]C3)cc2Cl)n1 ZINC000415338738 563768070 /nfs/dbraw/zinc/76/80/70/563768070.db2.gz ZSSYJPUNQJTVOU-LLVKDONJSA-N 1 0 396.925 2.673 20 0 GFADRO COC(=O)c1cc(Br)ccc1NC(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000415338135 563768239 /nfs/dbraw/zinc/76/82/39/563768239.db2.gz VTHXRYDLYFEFSD-NTZNESFSSA-N 1 0 396.285 2.745 20 0 GFADRO CCOC(=O)c1c(NC(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)sc2c1CCSC2 ZINC000415345226 563768814 /nfs/dbraw/zinc/76/88/14/563768814.db2.gz YGDFFCFJWNFBLX-CMPLNLGQSA-N 1 0 383.539 2.834 20 0 GFADRO CCOC(=O)c1c(NC(=O)N[C@H]2CC[NH2+]C[C@H]2C)sc2c1CCSC2 ZINC000415345230 563768946 /nfs/dbraw/zinc/76/89/46/563768946.db2.gz YGDFFCFJWNFBLX-PWSUYJOCSA-N 1 0 383.539 2.834 20 0 GFADRO C[C@@H](NC(=O)C(=O)Nc1ccc(Cl)cc1C(F)(F)F)[C@@H]1CCC[NH2+]C1 ZINC000415350005 563769535 /nfs/dbraw/zinc/76/95/35/563769535.db2.gz HPCWVWDFXPWLHT-NXEZZACHSA-N 1 0 377.794 2.802 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)c(NC(=O)NC[C@H](C)C[NH3+])c1C ZINC000415364134 563770684 /nfs/dbraw/zinc/77/06/84/563770684.db2.gz SVWQISGBAQDZQE-SNVBAGLBSA-N 1 0 380.290 2.968 20 0 GFADRO Cc1csc(Sc2ccc(NC(=O)C(=O)NCC[C@H](C)[NH3+])c(C)c2)n1 ZINC000415379269 563771510 /nfs/dbraw/zinc/77/15/10/563771510.db2.gz QZKMPXLPUXIHRF-NSHDSACASA-N 1 0 378.523 2.703 20 0 GFADRO CCCN(C(=O)C(=O)Nc1cc(Br)c(C)cc1C)[C@H]1CC[NH2+]C1 ZINC000415384831 563771897 /nfs/dbraw/zinc/77/18/97/563771897.db2.gz DLKJFUPIYYGYHL-ZDUSSCGKSA-N 1 0 382.302 2.605 20 0 GFADRO C[N@@H+]1CC[C@@]2(CCN([C@H]3CCN(c4cccc(Br)c4)C3=O)C2)C1 ZINC000292060708 563771969 /nfs/dbraw/zinc/77/19/69/563771969.db2.gz COAHSDQCGUUISB-FUHWJXTLSA-N 1 0 378.314 2.582 20 0 GFADRO CO[C@H]1CCN(C(=O)Nc2cc(F)c(Br)c(F)c2)[C@H](C[NH3+])C1 ZINC000415400135 563772512 /nfs/dbraw/zinc/77/25/12/563772512.db2.gz FIXHAQXCZNZDBG-UWVGGRQHSA-N 1 0 378.217 2.697 20 0 GFADRO O=C(NCC[C@@H]1CCC[NH2+]C1)C(=O)Nc1ccc(Br)c(Cl)c1 ZINC000415416445 563773619 /nfs/dbraw/zinc/77/36/19/563773619.db2.gz SXGPYBYFBRJDFN-JTQLQIEISA-N 1 0 388.693 2.547 20 0 GFADRO COC(=O)c1cc(NC(=O)NC[C@]2(C)CCC[NH2+]C2)ccc1Br ZINC000415410205 563773666 /nfs/dbraw/zinc/77/36/66/563773666.db2.gz URAIYOXDRVJJIL-MRXNPFEDSA-N 1 0 384.274 2.747 20 0 GFADRO COC(=O)c1cc(NC(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)ccc1Br ZINC000415408544 563773681 /nfs/dbraw/zinc/77/36/81/563773681.db2.gz QZAAZQMMVTUKCP-IJLUTSLNSA-N 1 0 396.285 2.745 20 0 GFADRO COc1cc(NC(=O)N2CC[C@@]3(CC[NH2+]C3)C2)cc(OC)c1Br ZINC000415413908 563773776 /nfs/dbraw/zinc/77/37/76/563773776.db2.gz OOABYGLGWRGTDC-MRXNPFEDSA-N 1 0 384.274 2.684 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)NCC[C@H]2CCC[NH2+]C2)c(Br)c1 ZINC000415413020 563773815 /nfs/dbraw/zinc/77/38/15/563773815.db2.gz YGIHAXBFTPJZMX-CYBMUJFWSA-N 1 0 382.302 2.510 20 0 GFADRO Cc1cc(NC(=O)C(=O)NCC[C@H]2CCC[NH2+]C2)cc(C)c1Br ZINC000415411235 563773820 /nfs/dbraw/zinc/77/38/20/563773820.db2.gz LCQGJDCPHCBMJB-CYBMUJFWSA-N 1 0 382.302 2.510 20 0 GFADRO [NH3+][C@H]1CCC[C@]12CCN(C(=O)/C=C/c1ccc(I)o1)C2 ZINC000365094856 563774097 /nfs/dbraw/zinc/77/40/97/563774097.db2.gz PFGGYRLRHTTXCR-XARUKTKKSA-N 1 0 386.233 2.627 20 0 GFADRO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)Nc1ccc(Cl)c(Br)c1 ZINC000415421110 563774229 /nfs/dbraw/zinc/77/42/29/563774229.db2.gz BVVVGZOOFRTIDL-SNVBAGLBSA-N 1 0 376.682 2.531 20 0 GFADRO Cc1cc(Cl)cc(NC(=O)C(=O)N[C@H](C[NH3+])CC(C)C)c1Br ZINC000415426063 563774881 /nfs/dbraw/zinc/77/48/81/563774881.db2.gz LGMDOTTXFBHUNC-NSHDSACASA-N 1 0 390.709 2.839 20 0 GFADRO [NH3+]C[C@H](NC(=O)C(=O)Nc1ccc(F)c(Br)c1)C1CCCCC1 ZINC000415432421 563775514 /nfs/dbraw/zinc/77/55/14/563775514.db2.gz WBEXPDSTPLZWBL-AWEZNQCLSA-N 1 0 386.265 2.551 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)Nc2cccc(Cl)c2Br)C1 ZINC000415437629 563775821 /nfs/dbraw/zinc/77/58/21/563775821.db2.gz KPPTVRITADFPBJ-ZJUUUORDSA-N 1 0 388.693 2.627 20 0 GFADRO CS(=O)(=O)c1ccc(NC(=O)N[C@H](C[NH3+])C2CCCC2)cc1C(F)F ZINC000415439448 563775825 /nfs/dbraw/zinc/77/58/25/563775825.db2.gz QRHQGSOJHPRDKK-CYBMUJFWSA-N 1 0 375.441 2.667 20 0 GFADRO C[C@H](CCCC[NH3+])NC(=O)CCC[S@](=O)c1ccc(Br)cc1 ZINC000292158848 563776512 /nfs/dbraw/zinc/77/65/12/563776512.db2.gz UXOVSMXZUPLXFV-DMZKTXOQSA-N 1 0 389.359 2.971 20 0 GFADRO COC(=O)c1cc(Br)c(F)cc1NC(=O)NC1(C)CC[NH2+]CC1 ZINC000415464524 563776941 /nfs/dbraw/zinc/77/69/41/563776941.db2.gz CWUAIDXKQRQSOW-UHFFFAOYSA-N 1 0 388.237 2.638 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)C1 ZINC000415458276 563777014 /nfs/dbraw/zinc/77/70/14/563777014.db2.gz YHYNMYLLPASTAU-UWVGGRQHSA-N 1 0 377.794 2.883 20 0 GFADRO O=S(=O)(c1cccc(Cl)c1Br)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000365197527 563777354 /nfs/dbraw/zinc/77/73/54/563777354.db2.gz CMAYXCPZDVJCKW-LLVKDONJSA-N 1 0 393.734 2.961 20 0 GFADRO COC(=O)c1cc(Br)c(F)cc1NC(=O)N[C@H]1CCC[C@@H]1C[NH3+] ZINC000415472654 563777625 /nfs/dbraw/zinc/77/76/25/563777625.db2.gz YELPSNBKNGEIPL-PELKAZGASA-N 1 0 388.237 2.624 20 0 GFADRO CC(C)c1cc(Br)ccc1NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000415476690 563778283 /nfs/dbraw/zinc/77/82/83/563778283.db2.gz CRMLYMAFAUYQST-KGLIPLIRSA-N 1 0 394.313 2.864 20 0 GFADRO CCCC[C@H](C[NH3+])NC(=O)C(=O)Nc1cccc2cc(Br)cnc21 ZINC000415494938 563778977 /nfs/dbraw/zinc/77/89/77/563778977.db2.gz IOEDNMBDPKPJQZ-CYBMUJFWSA-N 1 0 393.285 2.570 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)Nc2cc(Br)cnc2-n2cccn2)C1 ZINC000415489147 563779093 /nfs/dbraw/zinc/77/90/93/563779093.db2.gz UMEJLMZZJNTHJB-NWDGAFQWSA-N 1 0 393.289 2.621 20 0 GFADRO CCCC[C@@H](C[NH3+])NC(=O)C(=O)Nc1cc(F)c(Br)cc1Cl ZINC000415498589 563779482 /nfs/dbraw/zinc/77/94/82/563779482.db2.gz NHSMUKUTPDIYBI-QMMMGPOBSA-N 1 0 394.672 2.814 20 0 GFADRO CCCC[C@H](C[NH3+])NC(=O)C(=O)Nc1cc(F)c(Br)cc1Cl ZINC000415498587 563779690 /nfs/dbraw/zinc/77/96/90/563779690.db2.gz NHSMUKUTPDIYBI-MRVPVSSYSA-N 1 0 394.672 2.814 20 0 GFADRO CCCN(C(=O)C(=O)Nc1cc(Br)ccc1F)C1CC[NH2+]CC1 ZINC000415506702 563780115 /nfs/dbraw/zinc/78/01/15/563780115.db2.gz LDYBRCICEGDZKL-UHFFFAOYSA-N 1 0 386.265 2.517 20 0 GFADRO CC[NH2+][C@H](C)CNC(=O)Nc1ccnn1Cc1ccccc1Br ZINC000415518539 563780972 /nfs/dbraw/zinc/78/09/72/563780972.db2.gz BDZNIEIQQFABFF-GFCCVEGCSA-N 1 0 380.290 2.813 20 0 GFADRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)Nc1ccc(Br)c2ccccc12 ZINC000415523143 563781281 /nfs/dbraw/zinc/78/12/81/563781281.db2.gz NCLZSHVSBHTYFU-NWDGAFQWSA-N 1 0 390.281 2.737 20 0 GFADRO CC(C)[C@@H]([NH3+])CNC(=O)Nc1ccnn1Cc1ccc(Br)cc1 ZINC000415522406 563781598 /nfs/dbraw/zinc/78/15/98/563781598.db2.gz DLCCNDOODXJOPK-AWEZNQCLSA-N 1 0 380.290 2.799 20 0 GFADRO C[C@H]1C[C@@H](CNC(=O)c2cc(Br)nn2C)C[N@@H+]1Cc1ccccc1 ZINC000365419059 563782406 /nfs/dbraw/zinc/78/24/06/563782406.db2.gz AABGRCMRQDSTAH-ZFWWWQNUSA-N 1 0 391.313 2.823 20 0 GFADRO C[NH2+][C@H]1CCN(C(=O)Nc2ccnn2Cc2cccc(Br)c2)C1 ZINC000415527876 563782616 /nfs/dbraw/zinc/78/26/16/563782616.db2.gz ORHDIRKSIHFGMN-AWEZNQCLSA-N 1 0 378.274 2.520 20 0 GFADRO C[NH2+]C[C@H](C)CNC(=O)Nc1ccnn1Cc1cccc(Br)c1 ZINC000415527308 563782689 /nfs/dbraw/zinc/78/26/89/563782689.db2.gz NKFFVFZZSHUMRM-LBPRGKRZSA-N 1 0 380.290 2.671 20 0 GFADRO CC(C)c1cc(Br)ccc1NC(=O)C(=O)N1C[C@H](C[NH3+])C[C@@H]1C ZINC000415538758 563783610 /nfs/dbraw/zinc/78/36/10/563783610.db2.gz IUZDNKBIOSWAHM-RYUDHWBXSA-N 1 0 382.302 2.707 20 0 GFADRO Cc1cc(NC(=O)C(=O)NC[C@@]2(C)CCC[NH2+]C2)cc(C)c1Br ZINC000415585058 563785502 /nfs/dbraw/zinc/78/55/02/563785502.db2.gz UHZCMABHURUYCE-KRWDZBQOSA-N 1 0 382.302 2.510 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000415583441 563785518 /nfs/dbraw/zinc/78/55/18/563785518.db2.gz QYTXPQKQIHHKKX-AEGPPILISA-N 1 0 394.313 2.536 20 0 GFADRO COc1cc(NC(=O)N[C@H](C)C[NH3+])c(Br)cc1Br ZINC000415583791 563785840 /nfs/dbraw/zinc/78/58/40/563785840.db2.gz JZUUFYUUBFFBSR-ZCFIWIBFSA-N 1 0 381.068 2.689 20 0 GFADRO COc1cc(NC(=O)N(C)C2C[NH2+]C2)c(Br)cc1Br ZINC000415596608 563786244 /nfs/dbraw/zinc/78/62/44/563786244.db2.gz XSQRGHNPICXZDO-UHFFFAOYSA-N 1 0 393.079 2.656 20 0 GFADRO COC(=O)c1c(Br)ccc(NC(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)c1C ZINC000415594841 563786401 /nfs/dbraw/zinc/78/64/01/563786401.db2.gz GREGBPPMROKQQC-NEPJUHHUSA-N 1 0 396.285 2.617 20 0 GFADRO COC(=O)c1c(C)c(NC(=O)N2C[C@H](C[NH3+])C[C@H]2C)ccc1Br ZINC000415599430 563786776 /nfs/dbraw/zinc/78/67/76/563786776.db2.gz MHTNJOPWJSGZTC-KOLCDFICSA-N 1 0 384.274 2.745 20 0 GFADRO COC(=O)c1c(Br)ccc(NC(=O)N[C@@H]2CC[NH2+]C[C@H]2C)c1C ZINC000415602646 563786833 /nfs/dbraw/zinc/78/68/33/563786833.db2.gz SEPNJXXZHLDRES-BXKDBHETSA-N 1 0 384.274 2.664 20 0 GFADRO COC(=O)c1c(Br)ccc(NC(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)c1C ZINC000415599514 563787097 /nfs/dbraw/zinc/78/70/97/563787097.db2.gz MTGYPQMCZPZEBA-GFCCVEGCSA-N 1 0 396.285 2.902 20 0 GFADRO COC(=O)c1cccc(NC(=O)N2C[C@@H](C)[C@](C)(C[NH3+])C2)c1Br ZINC000415606116 563787557 /nfs/dbraw/zinc/78/75/57/563787557.db2.gz ILXOMSFXSMTAQR-QLJPJBMISA-N 1 0 384.274 2.684 20 0 GFADRO CC(=O)c1cc(Br)ccc1OCC(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000292505880 563789112 /nfs/dbraw/zinc/78/91/12/563789112.db2.gz HNLUYTDOHXVKPY-SFHVURJKSA-N 1 0 395.297 2.585 20 0 GFADRO CC[C@H](C)Sc1ccc(NC(=O)C(=O)N[C@@H](C)C[NH3+])c(C(F)(F)F)c1 ZINC000415647155 563790180 /nfs/dbraw/zinc/79/01/80/563790180.db2.gz FFBVESCFNFUVTP-UWVGGRQHSA-N 1 0 377.432 2.998 20 0 GFADRO CC[C@H]([NH3+])CNC(=O)Nc1cc(Br)cc(C(=O)N2CCCC2)c1 ZINC000415643159 563790192 /nfs/dbraw/zinc/79/01/92/563790192.db2.gz XAXWSQDPKQPIAY-ZDUSSCGKSA-N 1 0 383.290 2.544 20 0 GFADRO Cc1cc(Cl)cc(NC(=O)C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)c1Br ZINC000415642668 563790235 /nfs/dbraw/zinc/79/02/35/563790235.db2.gz IDMCFLAAMZPJMY-MNOVXSKESA-N 1 0 388.693 2.736 20 0 GFADRO [NH3+]CC[C@@H]1CCCN(C(=O)C(=O)Nc2cccc(Br)c2Cl)C1 ZINC000415680751 563791267 /nfs/dbraw/zinc/79/12/67/563791267.db2.gz RXNCQLHADSTZDX-JTQLQIEISA-N 1 0 388.693 2.628 20 0 GFADRO [NH3+]CC[C@H]1CCCN(C(=O)C(=O)Nc2cccc(Cl)c2Br)C1 ZINC000415678858 563791372 /nfs/dbraw/zinc/79/13/72/563791372.db2.gz PDXDOZJAKQAIMS-SNVBAGLBSA-N 1 0 388.693 2.628 20 0 GFADRO [NH3+]CC[C@@H]1CCCN(C(=O)C(=O)Nc2cc(Cl)ccc2C(F)(F)F)C1 ZINC000415692458 563791412 /nfs/dbraw/zinc/79/14/12/563791412.db2.gz RNNSAMVVRSAFBY-JTQLQIEISA-N 1 0 377.794 2.885 20 0 GFADRO COC(=O)c1cc(NC(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)c(C)cc1Br ZINC000415704821 563792129 /nfs/dbraw/zinc/79/21/29/563792129.db2.gz IGCSXKNJAULWMK-NWDGAFQWSA-N 1 0 396.285 2.617 20 0 GFADRO C[NH2+]C[C@@H]1CCCN1C(=O)Nc1cc(C(=O)OC)c(Br)cc1C ZINC000415701927 563792150 /nfs/dbraw/zinc/79/21/50/563792150.db2.gz CMFLLDUKACJJJU-NSHDSACASA-N 1 0 384.274 2.760 20 0 GFADRO CC[C@@H](NC(=O)c1[nH]nc2ccc(I)cc21)c1ncc[nH]1 ZINC000443115696 563792709 /nfs/dbraw/zinc/79/27/09/563792709.db2.gz IUAOXDINVIEYQQ-SNVBAGLBSA-N 1 0 395.204 2.772 20 0 GFADRO C[NH2+][C@@H]1CCCN(C(=O)Nc2cc(C(=O)OC)c(Br)cc2C)C1 ZINC000415713500 563792683 /nfs/dbraw/zinc/79/26/83/563792683.db2.gz WVZNXSOJGTYMMX-LLVKDONJSA-N 1 0 384.274 2.760 20 0 GFADRO COC(=O)c1cc(NC(=O)N2C[C@@H](C)[NH2+]C[C@H]2C)c(C)cc1Br ZINC000415713836 563793324 /nfs/dbraw/zinc/79/33/24/563793324.db2.gz XIZVIFKJSAAJBM-GHMZBOCLSA-N 1 0 384.274 2.758 20 0 GFADRO COCCC[N@H+](C)CCNC(=O)N[C@H](C)c1ccc(Br)s1 ZINC000443185546 563794469 /nfs/dbraw/zinc/79/44/69/563794469.db2.gz YRBLKCLOYFTDOD-LLVKDONJSA-N 1 0 378.336 2.839 20 0 GFADRO CC(C)c1cc(Br)ccc1NC(=O)C(=O)N[C@H](CC[NH3+])C(F)F ZINC000415783466 563796350 /nfs/dbraw/zinc/79/63/50/563796350.db2.gz GEIFVVFQIPKMRG-GFCCVEGCSA-N 1 0 392.244 2.610 20 0 GFADRO CCOc1cc(C[NH2+]CCCc2cnn(C)n2)cc(Br)c1OC ZINC000292834807 563796658 /nfs/dbraw/zinc/79/66/58/563796658.db2.gz ARRQYRYVINAZMD-UHFFFAOYSA-N 1 0 383.290 2.707 20 0 GFADRO [NH3+][C@H]1CCC[C@@H](CNC(=O)C(=O)Nc2cc(Cl)ccc2C(F)(F)F)C1 ZINC000415807499 563797532 /nfs/dbraw/zinc/79/75/32/563797532.db2.gz LCOFAYLTNKEVPE-KOLCDFICSA-N 1 0 377.794 2.931 20 0 GFADRO [NH3+]C[C@H](NC(=O)C(=O)Nc1cc(Cl)ccc1C(F)(F)F)C1CCCC1 ZINC000415821012 563798232 /nfs/dbraw/zinc/79/82/32/563798232.db2.gz DTNSYSICKDPKFB-ZDUSSCGKSA-N 1 0 377.794 2.931 20 0 GFADRO Cc1cc(S(=O)(=O)NCC[C@@H]2CCC[N@@H+](C)C2)sc1Br ZINC000416560526 563848399 /nfs/dbraw/zinc/84/83/99/563848399.db2.gz SLUSIGLLTUJUBV-NSHDSACASA-N 1 0 381.361 2.829 20 0 GFADRO O=C(Nc1cc(Cl)c(F)c(Cl)c1)C(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000415815252 563798299 /nfs/dbraw/zinc/79/82/99/563798299.db2.gz FSOLUUWMATVFEQ-MNOVXSKESA-N 1 0 388.270 2.919 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)NC[C@H]2CCC[C@H]([NH3+])C2)c(Br)c1 ZINC000415818635 563798398 /nfs/dbraw/zinc/79/83/98/563798398.db2.gz WRHQITCOQPMVNX-STQMWFEESA-N 1 0 382.302 2.638 20 0 GFADRO Cc1nc2cc(Cl)c(NC(=O)C(=O)N[C@@H](C[NH3+])C3CCCC3)cc2s1 ZINC000415841991 563798911 /nfs/dbraw/zinc/79/89/11/563798911.db2.gz ORPZDGULRMUXFQ-AWEZNQCLSA-N 1 0 380.901 2.830 20 0 GFADRO CCOc1c(Cl)cc(NC(=O)C(=O)N2CC[C@H](C)[C@H](C[NH3+])C2)cc1Cl ZINC000415836917 563798994 /nfs/dbraw/zinc/79/89/94/563798994.db2.gz CGLUBVRLTNEGIQ-WDEREUQCSA-N 1 0 388.295 2.774 20 0 GFADRO CC(C)c1cc(Br)ccc1NC(=O)C(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000415837768 563799050 /nfs/dbraw/zinc/79/90/50/563799050.db2.gz CQYDVKLASZEMEX-CHWSQXEVSA-N 1 0 396.329 2.954 20 0 GFADRO Cn1cc(Br)c(C(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)n1 ZINC000293030389 563799087 /nfs/dbraw/zinc/79/90/87/563799087.db2.gz LDSKLUIROWYMAS-OAHLLOKOSA-N 1 0 377.286 2.750 20 0 GFADRO O=S(=O)(c1ccc(OC(F)F)c(F)c1)N1CCC([NH+]2CCCC2)CC1 ZINC000366099526 563799113 /nfs/dbraw/zinc/79/91/13/563799113.db2.gz YUZWEQUMWSDMFJ-UHFFFAOYSA-N 1 0 378.416 2.676 20 0 GFADRO C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)C[C@H]1C[NH3+] ZINC000415843265 563799086 /nfs/dbraw/zinc/79/90/86/563799086.db2.gz ICSPQZUQASBUDM-NXEZZACHSA-N 1 0 377.794 2.741 20 0 GFADRO Cc1cc(NC(=O)C(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)ccc1Br ZINC000415855555 563799523 /nfs/dbraw/zinc/79/95/23/563799523.db2.gz OVWCYEWATKRGAW-UONOGXRCSA-N 1 0 394.313 2.544 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N[C@H](C[NH3+])C2CCCC2)c(Br)c1 ZINC000415845608 563799772 /nfs/dbraw/zinc/79/97/72/563799772.db2.gz SCLFJQYFCKOQGO-CQSZACIVSA-N 1 0 382.302 2.638 20 0 GFADRO C[NH2+]Cc1cccc(NC(=O)NCCCCn2cc(Br)cn2)c1 ZINC000415960730 563801163 /nfs/dbraw/zinc/80/11/63/563801163.db2.gz OCBQYOGHNGQBOL-UHFFFAOYSA-N 1 0 380.290 2.967 20 0 GFADRO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)CN1CCC[C@H](CO)CC1 ZINC000293127715 563801618 /nfs/dbraw/zinc/80/16/18/563801618.db2.gz MRKQFWWXGCOULU-NSHDSACASA-N 1 0 389.279 2.813 20 0 GFADRO [NH3+]CC[C@@H](NC(=O)N1CCO[C@H](c2ccc(F)cc2Cl)C1)C(F)(F)F ZINC000416027649 563803304 /nfs/dbraw/zinc/80/33/04/563803304.db2.gz JFULDGONCUJCIH-QWHCGFSZSA-N 1 0 383.773 2.842 20 0 GFADRO O=S(=O)(c1cc(Cl)c(Br)cc1F)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000366289756 563803813 /nfs/dbraw/zinc/80/38/13/563803813.db2.gz SIGGDRPZBBVBLD-QPUJVOFHSA-N 1 0 397.697 2.614 20 0 GFADRO COCCC[N@@H+]1CCCN(C(=O)N[C@H](C)c2ccc(Br)cn2)CC1 ZINC000366383465 563806931 /nfs/dbraw/zinc/80/69/31/563806931.db2.gz UAGOJYJQCOGCEI-CQSZACIVSA-N 1 0 399.333 2.659 20 0 GFADRO CC[NH+]1CCN([C@@H](C)CNc2ccnc3c(Br)ccc(F)c23)CC1 ZINC000443510677 563807258 /nfs/dbraw/zinc/80/72/58/563807258.db2.gz QQKLRSUJZDOJEF-ZDUSSCGKSA-N 1 0 395.320 2.996 20 0 GFADRO Cc1nc(C(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)nn1-c1c(Cl)cccc1Cl ZINC000293370814 563810287 /nfs/dbraw/zinc/81/02/87/563810287.db2.gz KXIGTLXDCXJKBC-FZMZJTMJSA-N 1 0 380.279 2.707 20 0 GFADRO C[NH+](C)[C@@H](CC(=O)NCCCn1cc(Br)cn1)c1ccccc1 ZINC000416235611 563811320 /nfs/dbraw/zinc/81/13/20/563811320.db2.gz VIMUHHCMTAABDO-INIZCTEOSA-N 1 0 379.302 2.845 20 0 GFADRO Cc1cc(C)n(CCCNC(=O)[C@](C)([NH3+])c2ccc(Br)cc2)n1 ZINC000293413127 563811662 /nfs/dbraw/zinc/81/16/62/563811662.db2.gz NINRLMIEXOHLDD-QGZVFWFLSA-N 1 0 379.302 2.643 20 0 GFADRO C[C@@H](NC(=O)N1CCO[C@@H](C[NH+](C)C)C1)c1ccc(Br)s1 ZINC000443755101 563811802 /nfs/dbraw/zinc/81/18/02/563811802.db2.gz UNPWNWOQDNVWNK-MNOVXSKESA-N 1 0 376.320 2.544 20 0 GFADRO C[C@H](CNS(=O)(=O)c1ccc(Br)c(Cl)c1)[N@H+](C)C1CC1 ZINC000443756298 563811932 /nfs/dbraw/zinc/81/19/32/563811932.db2.gz JWKXAIISUQLCNI-SECBINFHSA-N 1 0 381.723 2.864 20 0 GFADRO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)CCOc1cccc(Cl)c1Cl ZINC000416296206 563814373 /nfs/dbraw/zinc/81/43/73/563814373.db2.gz NLOLOLSRJPNDKE-QWHCGFSZSA-N 1 0 375.296 2.676 20 0 GFADRO Cc1cn2c(n1)CC[C@@H](NS(=O)(=O)c1c(Cl)cc(F)cc1Cl)C2 ZINC000366626829 563815791 /nfs/dbraw/zinc/81/57/91/563815791.db2.gz WBEWRCZHFTZIHA-SNVBAGLBSA-N 1 0 378.256 2.931 20 0 GFADRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)c1cnc2ccc(Br)cc2c1O ZINC000443954867 563816205 /nfs/dbraw/zinc/81/62/05/563816205.db2.gz ATSJSTXIDRJLTC-NSHDSACASA-N 1 0 390.281 2.505 20 0 GFADRO C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CCCc1cnn(C)n1 ZINC000293563147 563818832 /nfs/dbraw/zinc/81/88/32/563818832.db2.gz ASBXREWTVGVYRE-LBPRGKRZSA-N 1 0 380.290 2.517 20 0 GFADRO C[NH+]1CCC2(CCCN(S(=O)(=O)c3c(Cl)ccnc3Cl)C2)CC1 ZINC000366821614 563820783 /nfs/dbraw/zinc/82/07/83/563820783.db2.gz HRGBGQZVABVORP-UHFFFAOYSA-N 1 0 378.325 2.885 20 0 GFADRO O=C(N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1)C1(c2cncc(Br)c2)CC1 ZINC000366841122 563821722 /nfs/dbraw/zinc/82/17/22/563821722.db2.gz HCGQVSRPNOEYIC-IAOVAPTHSA-N 1 0 390.325 2.818 20 0 GFADRO CCS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC[C@H]3C[NH2+]CCC[C@@H]32)c1 ZINC000366834779 563821753 /nfs/dbraw/zinc/82/17/53/563821753.db2.gz AKJLPGMXFXGPBO-GUYCJALGSA-N 1 0 384.929 2.738 20 0 GFADRO O=C(Nc1cc(Cl)cc(Cl)c1)[C@@H]1CCCN1C(=O)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000444145841 563822530 /nfs/dbraw/zinc/82/25/30/563822530.db2.gz YGQUQLPAVIOJCI-RVKKMQEKSA-N 1 0 382.291 2.923 20 0 GFADRO Cc1cc(S(=O)(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)c(F)cc1Br ZINC000416411132 563824351 /nfs/dbraw/zinc/82/43/51/563824351.db2.gz YXRJDRLRJLHJGR-NEPJUHHUSA-N 1 0 393.322 3.000 20 0 GFADRO CC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2cc(C)c(Br)cc2F)C1 ZINC000416409904 563824570 /nfs/dbraw/zinc/82/45/70/563824570.db2.gz DDDHRFYEAQITQT-LBPRGKRZSA-N 1 0 393.322 2.859 20 0 GFADRO C[N@@H+]1CC[C@@](O)(CNC(=O)C2(c3cc(C(F)(F)F)ccc3Cl)CC2)C1 ZINC000444321046 563828394 /nfs/dbraw/zinc/82/83/94/563828394.db2.gz GHESITRJXOZOOU-OAHLLOKOSA-N 1 0 376.806 2.573 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCC(=O)N[C@@H]1C1CC1)c1ccccc1I ZINC000367069632 563829262 /nfs/dbraw/zinc/82/92/62/563829262.db2.gz XNCVDPBOFQQHKE-DRZCJDIDSA-N 1 0 384.261 2.999 20 0 GFADRO C[C@H]1CN(C(=O)Nc2cccc(Br)c2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000367097023 563830859 /nfs/dbraw/zinc/83/08/59/563830859.db2.gz VQEZAQDZZLBZBO-YOEHRIQHSA-N 1 0 395.345 2.939 20 0 GFADRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)c3cccnc3)C2)c(Br)c1 ZINC000367132888 563832268 /nfs/dbraw/zinc/83/22/68/563832268.db2.gz HIPQYUZLSDNUDS-OAHLLOKOSA-N 1 0 390.281 2.857 20 0 GFADRO Cc1cc(I)ccc1NC(=O)C[NH2+][C@@H](CO)C(C)(C)C ZINC000444689704 563834872 /nfs/dbraw/zinc/83/48/72/563834872.db2.gz HBXLLLRPWWGOBC-ZDUSSCGKSA-N 1 0 390.265 2.535 20 0 GFADRO C[C@H](Cc1ccc(Br)cc1)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000367233701 563836932 /nfs/dbraw/zinc/83/69/32/563836932.db2.gz DNIBKBGXUBLUFX-KDOFPFPSSA-N 1 0 395.341 2.997 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)Nc2cc(Br)cnc2-n2cccn2)CC[N@@H+]1C ZINC000444927823 563839593 /nfs/dbraw/zinc/83/95/93/563839593.db2.gz DQUZPCYNBCHJQE-DGCLKSJQSA-N 1 0 393.289 2.634 20 0 GFADRO NC(=O)c1cnn2c1C[C@@H](C[NH2+][C@H]1CCc3sc(Br)cc31)CC2 ZINC000294379486 563840364 /nfs/dbraw/zinc/84/03/64/563840364.db2.gz RJRKALHDUUPWQG-CABZTGNLSA-N 1 0 395.326 2.646 20 0 GFADRO C[C@H]1CN(C(=O)c2ccc(Br)c(F)c2)CCN1C1CC[NH+](C)CC1 ZINC000367445260 563844965 /nfs/dbraw/zinc/84/49/65/563844965.db2.gz QSAINHZUZNHMRP-ZDUSSCGKSA-N 1 0 398.320 2.829 20 0 GFADRO O=S(=O)(c1c(Cl)cccc1Br)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000367473331 563845953 /nfs/dbraw/zinc/84/59/53/563845953.db2.gz DNVRIKFUAHGMEP-CQSZACIVSA-N 1 0 393.734 2.867 20 0 GFADRO Cc1cc(C[NH2+]C[C@H]2CCN(S(=O)(=O)c3cccs3)C2)cc(C)c1O ZINC000367688132 563852360 /nfs/dbraw/zinc/85/23/60/563852360.db2.gz OBOACVIVRNOJMN-OAHLLOKOSA-N 1 0 380.535 2.871 20 0 GFADRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1Cc1ncc(I)s1 ZINC000367681292 563852367 /nfs/dbraw/zinc/85/23/67/563852367.db2.gz DDBAXTURQQNADU-GHMZBOCLSA-N 1 0 377.295 2.806 20 0 GFADRO CS[C@H]1CN(S(=O)(=O)c2cc(F)cc(Cl)c2)C[C@H]1[NH+]1CCCC1 ZINC000445709806 563852497 /nfs/dbraw/zinc/85/24/97/563852497.db2.gz PAKBJULEAARSHQ-CABCVRRESA-N 1 0 378.922 2.679 20 0 GFADRO CCOc1ccc(S(=O)(=O)N2C[C@@H](SC)[C@@H]([NH+]3CCCC3)C2)c(C)c1 ZINC000445732992 563853194 /nfs/dbraw/zinc/85/31/94/563853194.db2.gz MQWCDWWFFXTIJZ-DLBZAZTESA-N 1 0 384.567 2.594 20 0 GFADRO CCS(=O)(=O)NCCC[N@H+](C)[C@@H]1CCOc2ccc(Br)cc21 ZINC000445885087 563855772 /nfs/dbraw/zinc/85/57/72/563855772.db2.gz MHLNHTVKFVMXDF-CQSZACIVSA-N 1 0 391.331 2.534 20 0 GFADRO COc1c(Br)cc(Br)cc1CN1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000367838530 563857181 /nfs/dbraw/zinc/85/71/81/563857181.db2.gz FLYJJDVPXDWBOZ-GDNZZTSVSA-N 1 0 391.103 2.890 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)N[C@H](C)CCCC[NH3+] ZINC000416819963 563861712 /nfs/dbraw/zinc/86/17/12/563861712.db2.gz BPYURWDQQJPPSU-GFCCVEGCSA-N 1 0 385.306 2.513 20 0 GFADRO O=C([C@@H]1COc2ccc(Br)cc21)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000368025164 563862124 /nfs/dbraw/zinc/86/21/24/563862124.db2.gz ZEBJAUHDXVCFQJ-WQVCFCJDSA-N 1 0 379.298 2.916 20 0 GFADRO COc1ccc(Br)c(CNC(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000417135311 563868622 /nfs/dbraw/zinc/86/86/22/563868622.db2.gz GOTDIKWOUJBOOP-SGIREYDYSA-N 1 0 382.302 2.727 20 0 GFADRO O=C(N[C@@H]1CC12CC[NH2+]CC2)C1(c2ccc(Br)cc2)CCOCC1 ZINC000368382864 563869553 /nfs/dbraw/zinc/86/95/53/563869553.db2.gz BATLZFRUDYMAEN-MRXNPFEDSA-N 1 0 393.325 2.756 20 0 GFADRO COC[C@H]([NH2+]CCc1cn2cc(Br)cc(C)c2n1)C1CCOCC1 ZINC000446890272 563869763 /nfs/dbraw/zinc/86/97/63/563869763.db2.gz ISOROZKBEGLIJR-KRWDZBQOSA-N 1 0 396.329 2.979 20 0 GFADRO Cc1nccc(CN2CCC[C@@H](NCc3cscc3Br)C2=O)n1 ZINC000368511283 563872711 /nfs/dbraw/zinc/87/27/11/563872711.db2.gz JJGCWVBSMZLZFQ-OAHLLOKOSA-N 1 0 395.326 2.890 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)NCC2(c3ccc(Br)cc3)CCC2)CCCO1 ZINC000417218803 563873795 /nfs/dbraw/zinc/87/37/95/563873795.db2.gz UIKTZFCOUJHZAE-INIZCTEOSA-N 1 0 396.329 2.630 20 0 GFADRO Cc1ccc(O)c(C[NH2+][C@@H]2CCN(c3cccc(Br)c3)C2=O)n1 ZINC000447084973 563874050 /nfs/dbraw/zinc/87/40/50/563874050.db2.gz GXSCOCAIOCSOSJ-CQSZACIVSA-N 1 0 376.254 2.753 20 0 GFADRO C[C@H]1CN(C2CC2)C[C@@H]1[NH2+]Cc1ccc(S(C)(=O)=O)c(C(F)(F)F)c1 ZINC000447094420 563874916 /nfs/dbraw/zinc/87/49/16/563874916.db2.gz RSLMKGZLSDBHMR-NHYWBVRUSA-N 1 0 376.444 2.681 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)c3ccc(I)c(F)c3)C[C@H]21 ZINC000368615017 563875873 /nfs/dbraw/zinc/87/58/73/563875873.db2.gz SQUFQRQEIHRQIF-JTNHKYCSSA-N 1 0 388.224 2.630 20 0 GFADRO C[C@@H](NC(=O)N1C[C@H](C[NH3+])C2(C1)CCOCC2)c1ccc(Br)cc1 ZINC000417303396 563877536 /nfs/dbraw/zinc/87/75/36/563877536.db2.gz DGVSAVFYMWORFY-HIFRSBDPSA-N 1 0 396.329 2.907 20 0 GFADRO CO[C@@H]1CCN(C(=O)NCCCOc2ccc(Cl)cc2Cl)[C@@H](C[NH3+])C1 ZINC000417334861 563878023 /nfs/dbraw/zinc/87/80/23/563878023.db2.gz RVQQLVYKKBRMJA-ZIAGYGMSSA-N 1 0 390.311 2.910 20 0 GFADRO O=S(=O)(c1ccc(F)cc1Br)N1CCCC2(CC[NH2+]CC2)C1 ZINC000368741321 563878269 /nfs/dbraw/zinc/87/82/69/563878269.db2.gz LINXHHORSLABCQ-UHFFFAOYSA-N 1 0 391.306 2.743 20 0 GFADRO O=C(NCCC[C@H]1CCC[NH2+]1)N[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000417480007 563881047 /nfs/dbraw/zinc/88/10/47/563881047.db2.gz LHCFLTXXIYTOPR-CVEARBPZSA-N 1 0 395.345 2.859 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)NC1CCC([NH3+])CC1 ZINC000417482940 563881108 /nfs/dbraw/zinc/88/11/08/563881108.db2.gz JBKJKATYPAGWOZ-UHFFFAOYSA-N 1 0 397.317 2.655 20 0 GFADRO Cc1cc(NC(=O)NC[C@@H]2CCCC[N@@H+]2CCO)cc(F)c1Br ZINC000417528364 563882253 /nfs/dbraw/zinc/88/22/53/563882253.db2.gz PNWFPNPBZRWKIU-ZDUSSCGKSA-N 1 0 388.281 2.865 20 0 GFADRO COC(=O)c1cc(Br)cc(NC(=O)N2CC[C@H](C[NH+](C)C)C2)c1C ZINC000417564571 563883335 /nfs/dbraw/zinc/88/33/35/563883335.db2.gz JCMQUEZNUSTHAX-GFCCVEGCSA-N 1 0 398.301 2.960 20 0 GFADRO C[C@@H]([NH2+]CC1(N2CCOCC2)CC1)c1ccccc1I ZINC000447591952 563883595 /nfs/dbraw/zinc/88/35/95/563883595.db2.gz GFWIYRGORIZJSE-CYBMUJFWSA-N 1 0 386.277 2.807 20 0 GFADRO Cc1c(Br)ccc(C(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)c1F ZINC000447585285 563883718 /nfs/dbraw/zinc/88/37/18/563883718.db2.gz IOWSZJUHVSDFTR-LLVKDONJSA-N 1 0 387.293 2.814 20 0 GFADRO C[NH+](C)CCN1CCCN(C(=O)c2cc3cc(Br)ccc3o2)CC1 ZINC000369010918 563884281 /nfs/dbraw/zinc/88/42/81/563884281.db2.gz QPGONQKEKJAVRE-UHFFFAOYSA-N 1 0 394.313 2.905 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000369037885 563885011 /nfs/dbraw/zinc/88/50/11/563885011.db2.gz AEKZLKFGZLMBLA-HOTGVXAUSA-N 1 0 382.302 2.820 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H](CNC(=O)N[C@H]2CCN(c3ccccc3Br)C2)C1 ZINC000417593161 563885644 /nfs/dbraw/zinc/88/56/44/563885644.db2.gz FUYNGBDXNITGFM-KFWWJZLASA-N 1 0 395.345 2.845 20 0 GFADRO C[C@H](CCCC[NH3+])NC(=O)N[C@H]1CCN(c2ccccc2Br)C1 ZINC000417600847 563886140 /nfs/dbraw/zinc/88/61/40/563886140.db2.gz KIXRKKHRZBFEEK-KGLIPLIRSA-N 1 0 383.334 2.845 20 0 GFADRO [NH3+][C@@H]1CCC[C@@]12CCN(S(=O)(=O)c1cccc(Cl)c1Br)C2 ZINC000369076966 563886275 /nfs/dbraw/zinc/88/62/75/563886275.db2.gz LKCHHKPSUJROMM-OCCSQVGLSA-N 1 0 393.734 2.995 20 0 GFADRO O=C(NCCCc1ccc(Br)cc1F)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000417680521 563886543 /nfs/dbraw/zinc/88/65/43/563886543.db2.gz NULZCYPESPECAZ-ZIAGYGMSSA-N 1 0 384.293 2.772 20 0 GFADRO CC[C@H](CNC(=O)N1CCCO[C@@H](C[NH3+])C1)Cc1cccc(Br)c1 ZINC000417718478 563887579 /nfs/dbraw/zinc/88/75/79/563887579.db2.gz HLAHTEYKIKKDLE-YOEHRIQHSA-N 1 0 398.345 2.777 20 0 GFADRO CN(C(=O)NCCOc1ncc(C(F)(F)F)cc1Cl)C1CC[NH2+]CC1 ZINC000417731474 563888155 /nfs/dbraw/zinc/88/81/55/563888155.db2.gz FTASSHDVIJFAOW-UHFFFAOYSA-N 1 0 380.798 2.526 20 0 GFADRO CS[C@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)c(F)c2)C[C@@H]1[NH+](C)C ZINC000447867287 563888332 /nfs/dbraw/zinc/88/83/32/563888332.db2.gz CNTVUAKYRWRPSZ-STQMWFEESA-N 1 0 386.436 2.511 20 0 GFADRO CN1CCN(S(=O)(=O)c2ccc(C(F)(F)F)c(F)c2)c2c[nH+]ccc21 ZINC000447864245 563888450 /nfs/dbraw/zinc/88/84/50/563888450.db2.gz QDCDXOGETULFAO-UHFFFAOYSA-N 1 0 375.347 2.885 20 0 GFADRO C[C@H](CNC(=O)N1CCC([C@H](C)[NH3+])CC1)Oc1cccc(Br)c1 ZINC000417803041 563889907 /nfs/dbraw/zinc/88/99/07/563889907.db2.gz XWHRDAMYBXHVKK-OLZOCXBDSA-N 1 0 384.318 2.985 20 0 GFADRO C[C@@H]([NH3+])C1CCN(C(=O)NC[C@@H](C)Oc2ccccc2Br)CC1 ZINC000417823478 563889925 /nfs/dbraw/zinc/88/99/25/563889925.db2.gz KYGSLYVDPCNQGB-CHWSQXEVSA-N 1 0 384.318 2.985 20 0 GFADRO C[C@@H]([NH3+])C1CCN(C(=O)NC[C@@H](C)Oc2cccc(Br)c2)CC1 ZINC000417803040 563889944 /nfs/dbraw/zinc/88/99/44/563889944.db2.gz XWHRDAMYBXHVKK-CHWSQXEVSA-N 1 0 384.318 2.985 20 0 GFADRO C[C@@H](CNC(=O)N1CCC[C@@H](CC[NH3+])C1)Oc1cccc(Br)c1 ZINC000417803021 563890000 /nfs/dbraw/zinc/89/00/00/563890000.db2.gz XTGXAPFDJUMSQL-KBPBESRZSA-N 1 0 384.318 2.987 20 0 GFADRO O=C(NCc1cc(Cl)cc(Cl)c1OC(F)F)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000417877804 563890241 /nfs/dbraw/zinc/89/02/41/563890241.db2.gz NYDAAHVKMQJDDJ-AOOOYVTPSA-N 1 0 380.222 2.956 20 0 GFADRO C[C@H](CNC(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2)Oc1ccccc1Br ZINC000417833828 563890386 /nfs/dbraw/zinc/89/03/86/563890386.db2.gz UWMLKUOLWRUNSY-MCIONIFRSA-N 1 0 382.302 2.752 20 0 GFADRO C[C@H]([NH2+][C@@H](CO)[C@H]1CCCO1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000447913251 563890413 /nfs/dbraw/zinc/89/04/13/563890413.db2.gz IGWNEUNLVZIHTH-QCZZGDTMSA-N 1 0 380.794 2.815 20 0 GFADRO O=C(NCCc1cc(Cl)ccc1Br)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000417920074 563891429 /nfs/dbraw/zinc/89/14/29/563891429.db2.gz ZQVOFVGYHAJBLZ-CHWSQXEVSA-N 1 0 386.721 2.896 20 0 GFADRO O=C(NCCc1cc(Cl)ccc1Br)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000417907778 563891691 /nfs/dbraw/zinc/89/16/91/563891691.db2.gz FLNCGMVNOOMBPK-CHWSQXEVSA-N 1 0 386.721 2.896 20 0 GFADRO COC(=O)c1ccc(S(=O)(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)cc1Cl ZINC000447944989 563891806 /nfs/dbraw/zinc/89/18/06/563891806.db2.gz UOOFLEMFAYRHEW-HNNXBMFYSA-N 1 0 388.917 2.525 20 0 GFADRO C[C@H](Cc1cc(Br)ccc1F)NC(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000417950007 563892113 /nfs/dbraw/zinc/89/21/13/563892113.db2.gz WYXWCCKRRBYGJE-BZPMIXESSA-N 1 0 384.293 2.770 20 0 GFADRO CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)N[C@H](CC[NH3+])C(F)F ZINC000417971372 563892903 /nfs/dbraw/zinc/89/29/03/563892903.db2.gz AWSQEZMMTAZQBO-BIMULSAOSA-N 1 0 394.260 2.807 20 0 GFADRO [NH3+]C1CCC(NC(=O)N[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)CC1 ZINC000417999261 563894608 /nfs/dbraw/zinc/89/46/08/563894608.db2.gz VXUVMUSCJJRYCS-QKFMDRJYSA-N 1 0 385.295 2.668 20 0 GFADRO COc1cc(Br)ccc1CCCNC(=O)N1C[C@H](C[NH3+])C[C@H]1C ZINC000418002703 563894612 /nfs/dbraw/zinc/89/46/12/563894612.db2.gz MGDURCCMIDVFAF-OLZOCXBDSA-N 1 0 384.318 2.769 20 0 GFADRO COc1cc(Br)ccc1CCCNC(=O)N1C[C@@H](C[NH3+])C[C@@H]1C ZINC000418002704 563894722 /nfs/dbraw/zinc/89/47/22/563894722.db2.gz MGDURCCMIDVFAF-QWHCGFSZSA-N 1 0 384.318 2.769 20 0 GFADRO C[C@H](CCCC[NH3+])NC(=O)N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000418009116 563895001 /nfs/dbraw/zinc/89/50/01/563895001.db2.gz RTMAYFWLIALPBN-IAQYHMDHSA-N 1 0 387.311 2.915 20 0 GFADRO COCCN(Cc1ccc(F)cc1I)[C@@H]1CCOC1 ZINC000418022303 563895364 /nfs/dbraw/zinc/89/53/64/563895364.db2.gz AUSOBUSVMXWFFM-CYBMUJFWSA-N 1 0 379.213 2.668 20 0 GFADRO Cc1cc(Br)cn2cc(CNC(=O)N[C@@H](C)CCCC[NH3+])nc12 ZINC000418019131 563895608 /nfs/dbraw/zinc/89/56/08/563895608.db2.gz KFXLPOYCUDGUOY-LBPRGKRZSA-N 1 0 382.306 2.722 20 0 GFADRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)Nc1cccc(Br)c1 ZINC000448326470 563895818 /nfs/dbraw/zinc/89/58/18/563895818.db2.gz ABFVGZOQKURBKX-AWEZNQCLSA-N 1 0 382.302 2.624 20 0 GFADRO COC(=O)[C@H]1CC[C@@H]([NH2+]Cc2ccc(F)cc2I)C1 ZINC000418026506 563895998 /nfs/dbraw/zinc/89/59/98/563895998.db2.gz HMGVKOVRBIQVJP-JOYOIKCWSA-N 1 0 377.197 2.862 20 0 GFADRO C[NH2+]C[C@@H]1CCCN(C(=O)NCc2cn3cc(Br)cc(C)c3n2)C1 ZINC000418023224 563896061 /nfs/dbraw/zinc/89/60/61/563896061.db2.gz LUAFOXCXHFXEAX-ZDUSSCGKSA-N 1 0 394.317 2.546 20 0 GFADRO CCCOC[C@H](Cc1cccc(Br)c1)NC(=O)N[C@@H](C[NH3+])C1CC1 ZINC000418026460 563896072 /nfs/dbraw/zinc/89/60/72/563896072.db2.gz HGWGTBJWKYSJLH-IRXDYDNUSA-N 1 0 398.345 2.823 20 0 GFADRO CCCOC[C@H](Cc1cccc(Br)c1)NC(=O)N(C)CC[NH2+]C ZINC000418032818 563896544 /nfs/dbraw/zinc/89/65/44/563896544.db2.gz QLIBVTZENUQRMV-INIZCTEOSA-N 1 0 386.334 2.648 20 0 GFADRO CCCOC[C@H](Cc1cccc(Br)c1)NC(=O)N(C)[C@H](C)C[NH3+] ZINC000418032307 563896587 /nfs/dbraw/zinc/89/65/87/563896587.db2.gz PQFAYXJCTZSWHT-CJNGLKHVSA-N 1 0 386.334 2.775 20 0 GFADRO CCn1c(CNC(=O)N[C@@H]2C[NH2+]CC[C@H]2C)nc2cc(Br)ccc21 ZINC000418072934 563897683 /nfs/dbraw/zinc/89/76/83/563897683.db2.gz YXYACNDOKQHCIK-BXUZGUMPSA-N 1 0 394.317 2.616 20 0 GFADRO O=C(N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000418080655 563897696 /nfs/dbraw/zinc/89/76/96/563897696.db2.gz MQDZFCIGVYFZHB-XPKDYRNWSA-N 1 0 383.323 2.966 20 0 GFADRO CCCC[C@@H](C[NH3+])NC(=O)N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000418084365 563898037 /nfs/dbraw/zinc/89/80/37/563898037.db2.gz VGQJPPOFAKUKRX-JSGCOSHPSA-N 1 0 387.311 2.915 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)NCc2cnn(-c3ccc(Br)cc3)c2)CC[NH2+]1 ZINC000418085883 563898057 /nfs/dbraw/zinc/89/80/57/563898057.db2.gz BJJMHHSEWNVISA-IUODEOHRSA-N 1 0 392.301 2.575 20 0 GFADRO C[NH2+][C@@H]1CCCN(C(=O)NCc2cnn(-c3ccc(Br)cc3)c2)C1 ZINC000418087906 563898228 /nfs/dbraw/zinc/89/82/28/563898228.db2.gz ISXOGPORJTYBJR-OAHLLOKOSA-N 1 0 392.301 2.528 20 0 GFADRO CCC[NH2+]CCNC(=O)NCc1ccc(Cl)cc1I ZINC000418085816 563898241 /nfs/dbraw/zinc/89/82/41/563898241.db2.gz BATQBERTFOIEKW-UHFFFAOYSA-N 1 0 395.672 2.743 20 0 GFADRO CC(C)[C@@H]([NH3+])CNC(=O)NCc1ccc(Cl)cc1I ZINC000418090699 563898491 /nfs/dbraw/zinc/89/84/91/563898491.db2.gz OKZJDVBCQLBPNQ-LBPRGKRZSA-N 1 0 395.672 2.727 20 0 GFADRO CC1(C)CN(C(=O)NCc2cnn(-c3ccc(Br)cc3)c2)CC[NH2+]1 ZINC000418094892 563898597 /nfs/dbraw/zinc/89/85/97/563898597.db2.gz VBRIPMBRLUMZLG-UHFFFAOYSA-N 1 0 392.301 2.528 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(I)cc1F ZINC000448600183 563898658 /nfs/dbraw/zinc/89/86/58/563898658.db2.gz DJWHLWFZWPJDLS-LLVKDONJSA-N 1 0 376.213 2.644 20 0 GFADRO CC[NH+]1CCC(NC(=O)c2ccccc2-n2cc(Br)cn2)CC1 ZINC000448600506 563898688 /nfs/dbraw/zinc/89/86/88/563898688.db2.gz HQZUQSIJNZSEMT-UHFFFAOYSA-N 1 0 377.286 2.849 20 0 GFADRO C[C@H]([NH3+])CCNC(=O)N[C@@H](C)CCc1ccc(I)cc1 ZINC000418116022 563899463 /nfs/dbraw/zinc/89/94/63/563899463.db2.gz QHUIRLHVJYTSGU-RYUDHWBXSA-N 1 0 389.281 2.649 20 0 GFADRO CC[C@@H]([NH3+])CNC(=O)N[C@@H](C)CCc1ccc(I)cc1 ZINC000418116989 563899575 /nfs/dbraw/zinc/89/95/75/563899575.db2.gz SBJXUBFUZUBYDC-SMDDNHRTSA-N 1 0 389.281 2.649 20 0 GFADRO FC(F)CN1CC[C@H]([NH2+]Cc2cc(Br)c3c(c2)OCCO3)C1 ZINC000418138202 563899903 /nfs/dbraw/zinc/89/99/03/563899903.db2.gz SLEHRYIHWNEMPW-NSHDSACASA-N 1 0 377.229 2.649 20 0 GFADRO [NH3+]CC[C@H]1CCCN(C(=O)N[C@H]2COc3cc(F)c(Br)cc32)C1 ZINC000418170235 563900299 /nfs/dbraw/zinc/90/02/99/563900299.db2.gz ZCESZVULWWMBGA-YGRLFVJLSA-N 1 0 386.265 2.792 20 0 GFADRO O=C(NCC1(c2ccc(Br)s2)CCC1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000418163756 563900301 /nfs/dbraw/zinc/90/03/01/563900301.db2.gz HRROZPSTSYARQU-TXEJJXNPSA-N 1 0 384.343 2.793 20 0 GFADRO CO[C@@H]1CCN(C(=O)N[C@H](C)c2ccc(Br)cc2F)[C@@H](C[NH3+])C1 ZINC000418178150 563900783 /nfs/dbraw/zinc/90/07/83/563900783.db2.gz FDOCFEGVEVKXDD-RAIGVLPGSA-N 1 0 388.281 2.797 20 0 GFADRO CC[N@@H+]1CC[C@H](CNC(=O)c2ccccc2-n2cc(Br)cn2)C1 ZINC000448764315 563901002 /nfs/dbraw/zinc/90/10/02/563901002.db2.gz RDUJJXCBOGJEHJ-CYBMUJFWSA-N 1 0 377.286 2.706 20 0 GFADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[N@H+](C)C[C@@H]1CCCCO1 ZINC000449020944 563905742 /nfs/dbraw/zinc/90/57/42/563905742.db2.gz RGZXBZOLINKRKW-CJNGLKHVSA-N 1 0 399.329 2.963 20 0 GFADRO CCN(CCC[NH2+][C@@H]1CCc2c1ccc(F)c2Br)S(C)(=O)=O ZINC000449087779 563906595 /nfs/dbraw/zinc/90/65/95/563906595.db2.gz WQZJHGKGOZQPPC-CQSZACIVSA-N 1 0 393.322 2.837 20 0 GFADRO CCS(=O)(=O)NCCC[NH2+]Cc1cnc(-c2c(F)cccc2F)s1 ZINC000449105947 563906849 /nfs/dbraw/zinc/90/68/49/563906849.db2.gz FZBSSSOFUGYXDH-UHFFFAOYSA-N 1 0 375.466 2.507 20 0 GFADRO C[C@@H](COc1ccc(Cl)c(Cl)c1)[NH2+][C@H]1CCCN(S(C)(=O)=O)C1 ZINC000449101051 563907113 /nfs/dbraw/zinc/90/71/13/563907113.db2.gz STTNVZQZMNFAPC-RYUDHWBXSA-N 1 0 381.325 2.774 20 0 GFADRO C[C@H](COc1ccc(Cl)c(Cl)c1)[NH2+]C1CCN(CC(=O)N(C)C)CC1 ZINC000449124543 563907150 /nfs/dbraw/zinc/90/71/50/563907150.db2.gz PJNDEESMJLPPJR-CYBMUJFWSA-N 1 0 388.339 2.903 20 0 GFADRO C[C@@H](Cc1coc2ccccc12)[NH2+]C[C@@H](O)CS(=O)(=O)c1cccs1 ZINC000449189190 563907753 /nfs/dbraw/zinc/90/77/53/563907753.db2.gz LXGLZKSIJDAMFO-DZGCQCFKSA-N 1 0 379.503 2.850 20 0 GFADRO Cc1[nH]c(=O)sc1S(=O)(=O)NCC[NH2+][C@@H]1CC[C@@H](CCC(C)C)C1 ZINC000449247204 564177814 /nfs/dbraw/zinc/17/78/14/564177814.db2.gz FWOACCBJUSVYEE-ZIAGYGMSSA-N 1 0 375.560 2.630 20 0 GFADRO C[C@H]([NH2+][C@H](CO)c1ccc(Br)cc1)c1ccc(-n2cnnn2)cc1 ZINC000537960368 564178367 /nfs/dbraw/zinc/17/83/67/564178367.db2.gz SPFHARITGGSAOY-YVEFUNNKSA-N 1 0 388.269 2.809 20 0 GFADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+][C@H]1CSC1(C)C ZINC000449309336 564179682 /nfs/dbraw/zinc/17/96/82/564179682.db2.gz DFIUNCWVBZLSIB-YGRLFVJLSA-N 1 0 387.343 2.946 20 0 GFADRO C[C@H](O)C[N@@H+]1CCN(Cc2ccnc3c(Br)cccc23)[C@H](C)C1 ZINC000449296033 564179700 /nfs/dbraw/zinc/17/97/00/564179700.db2.gz WXCVWVXRTNBEQI-KGLIPLIRSA-N 1 0 378.314 2.884 20 0 GFADRO CS(=O)(=O)C[C@@H]1CCN(Cc2ccnc3c(Br)cccc23)C1 ZINC000449335169 564181028 /nfs/dbraw/zinc/18/10/28/564181028.db2.gz HOSBQPZYKYBQPF-GFCCVEGCSA-N 1 0 383.311 2.864 20 0 GFADRO COc1nccc(CN(CC[NH+](C)C)Cc2ccc(Br)cc2)n1 ZINC000449323690 564181105 /nfs/dbraw/zinc/18/11/05/564181105.db2.gz ANAZMTFQNRISDZ-UHFFFAOYSA-N 1 0 379.302 2.812 20 0 GFADRO C[C@H](CO)[N@@H+]1CCCN(C(=O)C2(Cc3ccccc3Br)CC2)CC1 ZINC000505356128 564181392 /nfs/dbraw/zinc/18/13/92/564181392.db2.gz RGSRERJGBWMSRV-OAHLLOKOSA-N 1 0 395.341 2.687 20 0 GFADRO COCC[N@@H+]1CC[C@H](NC(=O)Nc2cc(F)c(Br)c(F)c2)C1 ZINC000538208649 564184373 /nfs/dbraw/zinc/18/43/73/564184373.db2.gz SJTZVWQAOHLENT-VIFPVBQESA-N 1 0 378.217 2.570 20 0 GFADRO O[C@@H]1C[C@H]([C@@H]2CCCOC2)[N@H+](Cc2cccc(I)c2)C1 ZINC000449429235 564185889 /nfs/dbraw/zinc/18/58/89/564185889.db2.gz ANORVXYVUBWEOY-FVQBIDKESA-N 1 0 387.261 2.653 20 0 GFADRO CC[C@@H]1[C@@H](CO)CC[N@@H+]1Cc1cc(Br)ccc1O[C@@H](C)C(=O)NC ZINC000449419006 564185932 /nfs/dbraw/zinc/18/59/32/564185932.db2.gz GJOSQBCCFSXXRD-WOSRLPQWSA-N 1 0 399.329 2.555 20 0 GFADRO CN(CC[N@H+](C)Cc1ccc(Cl)c(F)c1)c1ccc(S(N)(=O)=O)cc1 ZINC000449426181 564185993 /nfs/dbraw/zinc/18/59/93/564185993.db2.gz UCWLXGRREQJNPT-UHFFFAOYSA-N 1 0 385.892 2.695 20 0 GFADRO [NH3+]CCCOC1CCN(C(=O)c2[nH]c3ccccc3c2Br)CC1 ZINC000563336317 564186593 /nfs/dbraw/zinc/18/65/93/564186593.db2.gz GISAMBZYTLPOQW-UHFFFAOYSA-N 1 0 380.286 2.900 20 0 GFADRO CO[C@@H]1COCC[C@H]1C[NH2+][C@H](C)CC(=O)Nc1ccc(Br)cc1 ZINC000449457882 564187118 /nfs/dbraw/zinc/18/71/18/564187118.db2.gz OHJQOERHODSYFM-DVOMOZLQSA-N 1 0 385.302 2.807 20 0 GFADRO CO[C@@H]1COCC[C@H]1C[NH2+]Cc1ncc(Br)cc1Br ZINC000449463508 564187866 /nfs/dbraw/zinc/18/78/66/564187866.db2.gz XBZHWVWGVQNSRG-TVQRCGJNSA-N 1 0 394.107 2.748 20 0 GFADRO OC[C@H]([C@@H]([NH2+]Cc1cn(-c2ccccc2Br)nn1)C1CC1)C1CC1 ZINC000449503155 564189044 /nfs/dbraw/zinc/18/90/44/564189044.db2.gz HMSDAIKUSRFHGE-YJBOKZPZSA-N 1 0 391.313 2.917 20 0 GFADRO CSCCCCNC(=O)C(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000505779508 564190092 /nfs/dbraw/zinc/19/00/92/564190092.db2.gz XIRAUXLHUOXFRN-HOCLYGCPSA-N 1 0 383.583 2.507 20 0 GFADRO C[C@@H]1C[C@@H]([NH2+]C[C@@H](CO)Cc2cc(Br)ccc2F)CN1C1CC1 ZINC000449600613 564190960 /nfs/dbraw/zinc/19/09/60/564190960.db2.gz OTAKLDYCHQAOBV-DVOMOZLQSA-N 1 0 385.321 2.954 20 0 GFADRO Cc1cc(C(=O)N2C[C@H](C)[NH2+]C[C@H]2C)nn1-c1ccc(Br)cc1 ZINC000505885689 564192161 /nfs/dbraw/zinc/19/21/61/564192161.db2.gz UMKNRNQQJAZCII-WCQYABFASA-N 1 0 377.286 2.766 20 0 GFADRO Cn1cc(Br)cc1C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000471388788 564193816 /nfs/dbraw/zinc/19/38/16/564193816.db2.gz QYOWCAPEHBHLAP-IYBDPMFKSA-N 1 0 388.309 2.992 20 0 GFADRO C[C@H]1OCC[C@H]1[N@H+](CCO)Cc1cc(Br)c2c(c1)OCCCO2 ZINC000449676546 564194155 /nfs/dbraw/zinc/19/41/55/564194155.db2.gz HXIFXKQJRQROKU-IUODEOHRSA-N 1 0 386.286 2.582 20 0 GFADRO CN(CC[N@H+](C)C1CC1)C(=O)C1(c2ccc(I)cc2)CC1 ZINC000505990852 564194213 /nfs/dbraw/zinc/19/42/13/564194213.db2.gz QBUUMGPFNWTJHN-UHFFFAOYSA-N 1 0 398.288 2.875 20 0 GFADRO CCOc1cc(C[N@H+](CCO)[C@@H]2CCO[C@@H]2C)cc(Br)c1OC ZINC000449678807 564195782 /nfs/dbraw/zinc/19/57/82/564195782.db2.gz QMOLGJLCEPRICP-IUODEOHRSA-N 1 0 388.302 2.828 20 0 GFADRO CC1(C)C[NH2+]CC[C@@H]1NC(=O)c1ccn(-c2cccc(Br)c2)n1 ZINC000449704945 564197875 /nfs/dbraw/zinc/19/78/75/564197875.db2.gz JAPAKXRAGBRAIA-HNNXBMFYSA-N 1 0 377.286 2.753 20 0 GFADRO O=C(N[C@@H]1CCOc2c(Br)cccc21)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000563592405 564198122 /nfs/dbraw/zinc/19/81/22/564198122.db2.gz HTWACUINIAIWON-YWPYICTPSA-N 1 0 380.286 2.524 20 0 GFADRO [NH3+]C[C@H]1CC[C@@H](NC(=O)C2(c3ccc(Br)cc3)CCOCC2)C1 ZINC000449719484 564198585 /nfs/dbraw/zinc/19/85/85/564198585.db2.gz QVECJPGHSVQUBT-XJKSGUPXSA-N 1 0 381.314 2.741 20 0 GFADRO [NH3+]C[C@H]1CC[C@H](NC(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CCCC2)C1 ZINC000449723671 564198790 /nfs/dbraw/zinc/19/87/90/564198790.db2.gz XLBBOKDVWSPTHG-ZFWWWQNUSA-N 1 0 384.929 2.670 20 0 GFADRO Cc1c(C(=O)N[C@H]2CC[C@H](C[NH3+])C2)cnn1-c1cccc(Br)c1 ZINC000449719906 564198842 /nfs/dbraw/zinc/19/88/42/564198842.db2.gz RJIAYSDSEYVOHK-JSGCOSHPSA-N 1 0 377.286 2.800 20 0 GFADRO C[C@@H](CN1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1)c1cccc(Br)c1 ZINC000538763138 564200731 /nfs/dbraw/zinc/20/07/31/564200731.db2.gz IJSKTRLGHLXEKR-YJBOKZPZSA-N 1 0 394.357 2.791 20 0 GFADRO C[NH+](C)C1(CNC(=O)CCCS(=O)(=O)c2ccc(Cl)cc2)CCCC1 ZINC000506325080 564200875 /nfs/dbraw/zinc/20/08/75/564200875.db2.gz KBLZZTMUJBJAJK-UHFFFAOYSA-N 1 0 386.945 2.885 20 0 GFADRO C[NH+](C)CCOCCNC(=O)NC1(c2cccc(Br)c2)CCC1 ZINC000471645825 564201515 /nfs/dbraw/zinc/20/15/15/564201515.db2.gz ZTQDJQKTVRIMHT-UHFFFAOYSA-N 1 0 384.318 2.706 20 0 GFADRO COc1ccc(F)c(CNc2cc(N3CCOCC3)c(Br)c[nH+]2)c1 ZINC000449770529 564201928 /nfs/dbraw/zinc/20/19/28/564201928.db2.gz WRRRPPSBBMSGOD-UHFFFAOYSA-N 1 0 396.260 3.441 20 0 GFADRO Cn1cc(C(=O)N(CC[NH+]2CCCC2)Cc2ccc(Cl)c(Cl)c2)nn1 ZINC000563766405 564205445 /nfs/dbraw/zinc/20/54/45/564205445.db2.gz NTEMQZLALQYXDN-UHFFFAOYSA-N 1 0 382.295 2.860 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)c2c(Br)cnn2C)C1 ZINC000449862016 564206811 /nfs/dbraw/zinc/20/68/11/564206811.db2.gz URJSTZFQFHWKJG-KGLIPLIRSA-N 1 0 383.334 2.909 20 0 GFADRO O=S(=O)(CC[NH2+]C1CCC(O)(C(F)(F)F)CC1)c1ccc(Cl)cc1 ZINC000539068354 564208576 /nfs/dbraw/zinc/20/85/76/564208576.db2.gz QDUSGZLZPJJWRO-UHFFFAOYSA-N 1 0 385.835 2.939 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)c2ccccc2-n2cc(Br)cn2)CC[N@@H+]1C ZINC000449941129 564209594 /nfs/dbraw/zinc/20/95/94/564209594.db2.gz OWEVIUUMCBZSRM-TZMCWYRMSA-N 1 0 377.286 2.847 20 0 GFADRO O=C(CCc1cccc(F)c1Br)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000449947684 564210610 /nfs/dbraw/zinc/21/06/10/564210610.db2.gz IKDITMCFKGYVSS-CQSZACIVSA-N 1 0 399.304 2.702 20 0 GFADRO CO[C@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC000539139374 564211371 /nfs/dbraw/zinc/21/13/71/564211371.db2.gz MFFHJNCKSAPIOY-VBQJREDUSA-N 1 0 399.329 2.610 20 0 GFADRO CNS(=O)(=O)c1cccc([C@H](C)[NH2+]C[C@H]2CSc3ccccc3O2)c1 ZINC000563886350 564211417 /nfs/dbraw/zinc/21/14/17/564211417.db2.gz JFMVXOQBNRUUDN-ZFWWWQNUSA-N 1 0 378.519 2.799 20 0 GFADRO NC(=O)[C@@H]1CCCN1CCC[NH2+][C@@H](c1ccc(Br)cc1)C1CC1 ZINC000539201452 564213086 /nfs/dbraw/zinc/21/30/86/564213086.db2.gz BHCCVYTVHUSMKG-DLBZAZTESA-N 1 0 380.330 2.830 20 0 GFADRO COC(=O)c1cc(Br)ccc1NC(=O)N1CC[NH+](C2CCC2)CC1 ZINC000506940713 564214189 /nfs/dbraw/zinc/21/41/89/564214189.db2.gz VSONTOWWXSLWOR-UHFFFAOYSA-N 1 0 396.285 2.938 20 0 GFADRO O=S1(=O)CCCN1CC[NH2+][C@@H](c1ccc(Br)cc1)C1CCC1 ZINC000539280214 564215498 /nfs/dbraw/zinc/21/54/98/564215498.db2.gz XHSBVRNYVQXYDN-MRXNPFEDSA-N 1 0 387.343 2.915 20 0 GFADRO CCOC(=O)CN(C)C(=O)C[NH2+][C@@H](c1ccc(Br)cc1)C1CCC1 ZINC000539279675 564215696 /nfs/dbraw/zinc/21/56/96/564215696.db2.gz RWAJKJVLOFOKQH-GOSISDBHSA-N 1 0 397.313 2.901 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)c1cc(Br)cnc1OCC1CC1)C1CC1 ZINC000507190166 564220831 /nfs/dbraw/zinc/22/08/31/564220831.db2.gz CTPZCPJJCMTGRP-HNNXBMFYSA-N 1 0 382.302 2.703 20 0 GFADRO Cc1cc(S(=O)(=O)N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)c(C)cc1Br ZINC000472323157 564220843 /nfs/dbraw/zinc/22/08/43/564220843.db2.gz SYRQLWMGMKTGNE-STQMWFEESA-N 1 0 387.343 2.969 20 0 GFADRO Cn1ncc(Br)c1C(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000450200185 564221721 /nfs/dbraw/zinc/22/17/21/564221721.db2.gz IHQVPHBGDOCNEG-UHFFFAOYSA-N 1 0 383.334 2.911 20 0 GFADRO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]Cc1ccnc(N(C)C)n1 ZINC000539506661 564221894 /nfs/dbraw/zinc/22/18/94/564221894.db2.gz LDWWPNWODHCKKH-GFCCVEGCSA-N 1 0 392.301 2.812 20 0 GFADRO C[NH+](C)Cc1ccc(CNC(=O)Nc2ccncc2Br)cc1F ZINC000507257067 564224422 /nfs/dbraw/zinc/22/44/22/564224422.db2.gz IZEJFWDWTPWXBV-UHFFFAOYSA-N 1 0 381.249 2.788 20 0 GFADRO COc1ccc(OC(F)(F)F)c(C(=O)N2C[C@@H](SC)[C@@H]([NH+](C)C)C2)c1 ZINC000450266140 564224730 /nfs/dbraw/zinc/22/47/30/564224730.db2.gz OAVYANNTABHERD-GXTWGEPZSA-N 1 0 378.416 2.711 20 0 GFADRO O=C(Nc1ccc(CCn2cc(Br)cn2)cc1)N[C@@H]1CCC[NH2+]C1 ZINC000564303578 564227455 /nfs/dbraw/zinc/22/74/55/564227455.db2.gz JRQNLAIMGPQJNI-MRXNPFEDSA-N 1 0 392.301 2.762 20 0 GFADRO CCN1CCN(C(=O)C(=O)Nc2ccc(Br)c(Cl)c2)[C@@H](C)C1 ZINC000507408850 564228106 /nfs/dbraw/zinc/22/81/06/564228106.db2.gz UDPHKYLMLPBGKI-JTQLQIEISA-N 1 0 388.693 2.594 20 0 GFADRO CCN1CCN(C(=O)C(=O)Nc2ccc(Cl)cc2Br)[C@@H](C)C1 ZINC000507401501 564228228 /nfs/dbraw/zinc/22/82/28/564228228.db2.gz KLBQGPCEWFKCPC-JTQLQIEISA-N 1 0 388.693 2.594 20 0 GFADRO Cn1ccnc1[C@H](NC(=O)C(=O)Nc1cc(F)ccc1Br)C1CC1 ZINC000507392895 564228254 /nfs/dbraw/zinc/22/82/54/564228254.db2.gz KLXSYBQUXQPEPS-CYBMUJFWSA-N 1 0 395.232 2.528 20 0 GFADRO CCN1CCN(C(=O)C(=O)Nc2cc(Cl)cc(C(F)(F)F)c2)[C@@H](C)C1 ZINC000507421272 564229264 /nfs/dbraw/zinc/22/92/64/564229264.db2.gz LIFKWZKRVXOVCE-JTQLQIEISA-N 1 0 377.794 2.850 20 0 GFADRO CC[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2ccc(F)c(Br)c2)C1 ZINC000472613577 564229977 /nfs/dbraw/zinc/22/99/77/564229977.db2.gz RXSWHSXYCLUERO-NSHDSACASA-N 1 0 379.295 2.598 20 0 GFADRO O[C@H](C[NH2+]CC1(CF)CCOCC1)COc1cc(F)cc(Br)c1 ZINC000564442124 564233251 /nfs/dbraw/zinc/23/32/51/564233251.db2.gz AXSVQVKXWHBHCD-CQSZACIVSA-N 1 0 394.256 2.684 20 0 GFADRO C[C@H](CC[NH+]1CCN(C)CC1)Nc1ncnc2cc(Br)ccc21 ZINC000450459245 564234030 /nfs/dbraw/zinc/23/40/30/564234030.db2.gz KFGOULNFQIUKSE-CYBMUJFWSA-N 1 0 378.318 2.830 20 0 GFADRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)C(=O)Nc1ccc(Br)c(F)c1 ZINC000507624920 564235273 /nfs/dbraw/zinc/23/52/73/564235273.db2.gz MOZBMGNSBDAYEJ-WCQYABFASA-N 1 0 398.276 2.612 20 0 GFADRO Cc1ccc(NC(=O)C(=O)N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)cc1Br ZINC000507637186 564236156 /nfs/dbraw/zinc/23/61/56/564236156.db2.gz AZUZJWCUOZJUGC-ZFWWWQNUSA-N 1 0 394.313 2.781 20 0 GFADRO C[NH+]1CCC(C)(CNC(=O)c2cc(F)ccc2I)CC1 ZINC000507681533 564238872 /nfs/dbraw/zinc/23/88/72/564238872.db2.gz DISIQPXFVBBMGN-UHFFFAOYSA-N 1 0 390.240 2.892 20 0 GFADRO Cc1cn2c(n1)[C@@H](C[NH2+]C[C@@H](O)COc1cccc(Br)c1)CCC2 ZINC000564564435 564239510 /nfs/dbraw/zinc/23/95/10/564239510.db2.gz PAOKGRSKRNJGCC-GDBMZVCRSA-N 1 0 394.313 2.861 20 0 GFADRO C[C@H]1CN(C2CC2)C[C@H]1[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000540164655 564240914 /nfs/dbraw/zinc/24/09/14/564240914.db2.gz VZYDHQUOTMURNW-KBXCAEBGSA-N 1 0 394.357 2.858 20 0 GFADRO CC1=CC[N@H+](CCNC(=O)c2ccc(I)cc2F)CC1 ZINC000450620147 564241807 /nfs/dbraw/zinc/24/18/07/564241807.db2.gz HCWGOAUQVZJUQC-UHFFFAOYSA-N 1 0 388.224 2.812 20 0 GFADRO CCCC[N@H+](C)C[C@@H](C)NS(=O)(=O)c1ccc(Br)c(OC)c1 ZINC000564613763 564242074 /nfs/dbraw/zinc/24/20/74/564242074.db2.gz ZCBUAJFIPUESNY-GFCCVEGCSA-N 1 0 393.347 2.856 20 0 GFADRO C[NH+](C)CC[C@](C)(O)CNC(=O)COc1cc(Cl)c(Cl)cc1Cl ZINC000473261168 564242929 /nfs/dbraw/zinc/24/29/29/564242929.db2.gz IXYHVMLOQHYGHF-HNNXBMFYSA-N 1 0 383.703 2.845 20 0 GFADRO C[NH+]1CCC2(CCCN2S(=O)(=O)c2ccc(Br)c(F)c2)CC1 ZINC000507933791 564247964 /nfs/dbraw/zinc/24/79/64/564247964.db2.gz DKMKHDWRBXWWDD-UHFFFAOYSA-N 1 0 391.306 2.837 20 0 GFADRO CS(=O)(=O)[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](CO)Cc1c(F)cccc1Cl ZINC000540416306 564248105 /nfs/dbraw/zinc/24/81/05/564248105.db2.gz ABBROEBCRYMJDQ-JCURWCKSSA-N 1 0 377.909 2.576 20 0 GFADRO CS(=O)(=O)c1ccc(NC(=O)NCCC[NH+]2CCCC2)cc1C(F)F ZINC000540537585 564251187 /nfs/dbraw/zinc/25/11/87/564251187.db2.gz DJHWABGFEZAVAK-UHFFFAOYSA-N 1 0 375.441 2.635 20 0 GFADRO COC(=O)CC[N@H+](Cc1cccc(Br)c1)CC1(C(=O)OC)CC1 ZINC000450844399 564251207 /nfs/dbraw/zinc/25/12/07/564251207.db2.gz POSGZFZWXIPZIK-UHFFFAOYSA-N 1 0 384.270 2.767 20 0 GFADRO CCOc1c(Br)cc(C(=O)NC[C@@]2(C)CCC[NH2+]C2)cc1OC ZINC000564837581 564251744 /nfs/dbraw/zinc/25/17/44/564251744.db2.gz XDBMQLLESRFWLO-KRWDZBQOSA-N 1 0 385.302 2.976 20 0 GFADRO CC(=O)N1CCC(C[NH2+]CCC(=O)Nc2cccc(Br)c2)CC1 ZINC000564844415 564251763 /nfs/dbraw/zinc/25/17/63/564251763.db2.gz IHTWXPCSZKDOKS-UHFFFAOYSA-N 1 0 382.302 2.626 20 0 GFADRO C[C@@H](CNC(=O)NCC1=CC[N@H+](C)CC1)Oc1ccc(Br)cc1 ZINC000540574545 564252558 /nfs/dbraw/zinc/25/25/58/564252558.db2.gz CJDBKIZAIFDXNO-ZDUSSCGKSA-N 1 0 382.302 2.778 20 0 GFADRO O=C1CC[C@H]([NH+]2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)CCN1 ZINC000450889127 564253262 /nfs/dbraw/zinc/25/32/62/564253262.db2.gz BXZACEUVSRLKNK-LBPRGKRZSA-N 1 0 376.810 2.545 20 0 GFADRO C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)COc2cc(F)cc(Br)c2)c2nccn21 ZINC000564858394 564253647 /nfs/dbraw/zinc/25/36/47/564253647.db2.gz CEEWIIPYMFEBSO-WDBKCZKBSA-N 1 0 384.249 2.820 20 0 GFADRO OC[C@H]([NH2+]C[C@H]1COCCO1)c1ccc(Br)cc1C(F)(F)F ZINC000450897455 564253951 /nfs/dbraw/zinc/25/39/51/564253951.db2.gz PVNCAUOVYMVDHW-GWCFXTLKSA-N 1 0 384.192 2.506 20 0 GFADRO [NH3+]C[C@@H]1CCCC[C@]12NC(=O)N(CCOc1c(Cl)cccc1Cl)C2=O ZINC000564928962 564257767 /nfs/dbraw/zinc/25/77/67/564257767.db2.gz LOQOBCOLICKXPA-GTNSWQLSSA-N 1 0 386.279 2.812 20 0 GFADRO CC[C@@H]([NH3+])CNC(=O)c1ccc(OCc2cc(C)on2)c(Br)c1 ZINC000564957250 564259211 /nfs/dbraw/zinc/25/92/11/564259211.db2.gz IFXUYIDICSKACW-GFCCVEGCSA-N 1 0 382.258 2.792 20 0 GFADRO CCC(CC)[C@@H](CNS(=O)(=O)c1cc(Cl)ccc1C(=O)OC)[NH+](C)C ZINC000473952950 564259929 /nfs/dbraw/zinc/25/99/29/564259929.db2.gz SOIAGBFOGKAPQP-OAHLLOKOSA-N 1 0 390.933 2.771 20 0 GFADRO CC(C)[N@@H+]1CC[C@H](CNC(=O)N[C@@H](CO)c2ccc(Br)cc2)C1 ZINC000540910246 564260398 /nfs/dbraw/zinc/26/03/98/564260398.db2.gz SMEOPGXJFHXLHX-CJNGLKHVSA-N 1 0 384.318 2.512 20 0 GFADRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)N[C@H](CO)c2ccc(Br)cc2)C1 ZINC000540910248 564260560 /nfs/dbraw/zinc/26/05/60/564260560.db2.gz SMEOPGXJFHXLHX-XJKSGUPXSA-N 1 0 384.318 2.512 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)C(=O)CNC(=O)c2ccc(Br)cc2)C[C@@H]1C ZINC000474114635 564265995 /nfs/dbraw/zinc/26/59/95/564265995.db2.gz QRQMHWDPYKAWCU-BBRMVZONSA-N 1 0 396.329 2.510 20 0 GFADRO Cc1ccc(CC(=O)N2CC[N@@H+](CC(C)(C)O)C[C@H]2C)cc1Br ZINC000474200024 564269775 /nfs/dbraw/zinc/26/97/75/564269775.db2.gz SZFQXQFUCKYPPF-CQSZACIVSA-N 1 0 383.330 2.604 20 0 GFADRO C[NH+](C)CCn1ccc(C(=O)N[C@@H]2C[C@H]2c2ccc(Br)s2)n1 ZINC000565197507 564270945 /nfs/dbraw/zinc/27/09/45/564270945.db2.gz ACBRUIXZWPASHW-ZYHUDNBSSA-N 1 0 383.315 2.555 20 0 GFADRO COC(=O)c1cnc(NC(=O)c2ccc(C[NH+]3CCSCC3)cc2)s1 ZINC000508769161 564272477 /nfs/dbraw/zinc/27/24/77/564272477.db2.gz NEAZDRDTTNRUFY-UHFFFAOYSA-N 1 0 377.491 2.731 20 0 GFADRO C[NH+](C)CCN(Cc1ccc(F)cc1)S(=O)(=O)C[C@@H]1CCCC1(F)F ZINC000451092937 564272896 /nfs/dbraw/zinc/27/28/96/564272896.db2.gz ZDVPSHHRCSLLMF-HNNXBMFYSA-N 1 0 378.460 2.955 20 0 GFADRO COCCNC(=O)[C@H]1CC[C@H](C)[N@H+](CCOc2ccccc2Br)C1 ZINC000508918146 564277125 /nfs/dbraw/zinc/27/71/25/564277125.db2.gz ZQTWNLNZJCSEMZ-GJZGRUSLSA-N 1 0 399.329 2.691 20 0 GFADRO CCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1c(F)cccc1Br ZINC000508985169 564277800 /nfs/dbraw/zinc/27/78/00/564277800.db2.gz YUSKSAYOLGKHSP-NSHDSACASA-N 1 0 386.265 2.517 20 0 GFADRO C[C@H]1CC[NH2+][C@@H](C(=O)N2CCN(Cc3ccc(Br)s3)CC2)C1 ZINC000565364075 564278301 /nfs/dbraw/zinc/27/83/01/564278301.db2.gz FKSBPDYPLRGQRH-GXTWGEPZSA-N 1 0 386.359 2.543 20 0 GFADRO Cc1ccc(Cl)c(OC[C@@H](O)C[NH2+]Cc2cnn(CC(F)(F)F)c2)c1 ZINC000565417324 564279830 /nfs/dbraw/zinc/27/98/30/564279830.db2.gz QXGIRJNHQNNDBB-ZDUSSCGKSA-N 1 0 377.794 2.937 20 0 GFADRO CC(C)[NH+]1CCN(c2ncnc3cccc(I)c32)CC1 ZINC000541540519 564283459 /nfs/dbraw/zinc/28/34/59/564283459.db2.gz YKTPNCZHXSJGFR-UHFFFAOYSA-N 1 0 382.249 2.765 20 0 GFADRO O=C(Nc1ccc(Cl)cc1Cl)N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000541787918 564288757 /nfs/dbraw/zinc/28/87/57/564288757.db2.gz YESSHPZMRYIYRD-UHFFFAOYSA-N 1 0 388.295 2.684 20 0 GFADRO CC(C)[NH2+]CCCNS(=O)(=O)c1cc(Br)sc1Cl ZINC000565657130 564289993 /nfs/dbraw/zinc/28/99/93/564289993.db2.gz ZKVZSLGNQMYPTB-UHFFFAOYSA-N 1 0 375.741 2.830 20 0 GFADRO CC[NH+](CC)CCO[C@H]1CCN(S(=O)(=O)C[C@H]2CCCCC2(F)F)C1 ZINC000451266827 564293247 /nfs/dbraw/zinc/29/32/47/564293247.db2.gz HDBHHLYFVQVSJS-CVEARBPZSA-N 1 0 382.517 2.574 20 0 GFADRO C[C@H]([NH2+]C[C@@]1(N2CCOCC2)CCSC1)c1ccc(Br)cn1 ZINC000565750579 564294282 /nfs/dbraw/zinc/29/42/82/564294282.db2.gz VDFJOXDZFVRCJQ-BBRMVZONSA-N 1 0 386.359 2.703 20 0 GFADRO CC[NH+](CC)[C@H]1CCN(S(=O)(=O)c2cc(OC)cc(C(F)(F)F)c2)C1 ZINC000451277588 564294592 /nfs/dbraw/zinc/29/45/92/564294592.db2.gz BFVMGQVQEABMTJ-ZDUSSCGKSA-N 1 0 380.432 2.819 20 0 GFADRO Cc1[nH]c(=O)sc1S(=O)(=O)NCC[NH2+][C@H](C)[C@@H](C)C1CCCCC1 ZINC000474939820 564294694 /nfs/dbraw/zinc/29/46/94/564294694.db2.gz BRAQKLWPPRADLL-VXGBXAGGSA-N 1 0 375.560 2.630 20 0 GFADRO C[NH+](C)[C@]1(CNS(=O)(=O)c2cccc3c(Cl)ccnc32)CCSC1 ZINC000451280297 564295140 /nfs/dbraw/zinc/29/51/40/564295140.db2.gz ZRNSXNSYUXAJPA-INIZCTEOSA-N 1 0 385.942 2.604 20 0 GFADRO CC1CC[NH+](CCNC(=O)N[C@H](CCO)c2ccccc2Br)CC1 ZINC000541964625 564296225 /nfs/dbraw/zinc/29/62/25/564296225.db2.gz MYLFNAWKEROBLE-QGZVFWFLSA-N 1 0 398.345 2.904 20 0 GFADRO O[C@H](COc1c(Cl)cccc1Cl)C[N@@H+]1C[C@H](O)C[C@H]1[C@H]1CCCOC1 ZINC000451294647 564297029 /nfs/dbraw/zinc/29/70/29/564297029.db2.gz CNFMFIXILLUPCC-LOUJCGABSA-N 1 0 390.307 2.595 20 0 GFADRO CC(C)[C@@H]1C[C@H]([NH2+]CCNS(=O)(=O)c2ccc(F)cc2Cl)CCO1 ZINC000509411532 564297257 /nfs/dbraw/zinc/29/72/57/564297257.db2.gz UQTLYXOQDGZBLY-HIFRSBDPSA-N 1 0 378.897 2.551 20 0 GFADRO O=C1C[C@H]([NH2+]CC2=Cc3cc(Br)ccc3OC2)[C@@H]2CCCCN12 ZINC000509414620 564297606 /nfs/dbraw/zinc/29/76/06/564297606.db2.gz HETBJZPUJTWRCS-HOTGVXAUSA-N 1 0 377.282 2.968 20 0 GFADRO O=S(=O)(NCC[NH2+]Cc1cc(F)c(F)c(F)c1)c1ccc(F)cc1Cl ZINC000509411640 564297695 /nfs/dbraw/zinc/29/76/95/564297695.db2.gz VUZSPCAIUJUQGS-UHFFFAOYSA-N 1 0 396.793 2.965 20 0 GFADRO Cc1c(Br)cccc1S(=O)(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000565833438 564297702 /nfs/dbraw/zinc/29/77/02/564297702.db2.gz DARSBMCVICANFI-ZIAGYGMSSA-N 1 0 387.343 2.768 20 0 GFADRO COC(=O)c1ccc(Br)cc1CN1C[C@H](O)C[C@H]1[C@@H]1CCCOC1 ZINC000451301803 564298033 /nfs/dbraw/zinc/29/80/33/564298033.db2.gz JWIKYOOTAZRCSC-VMGRFDJRSA-N 1 0 398.297 2.598 20 0 GFADRO COc1cccc(C[NH2+]CCOc2ccc(I)cc2)n1 ZINC000509437953 564299812 /nfs/dbraw/zinc/29/98/12/564299812.db2.gz IXPWYECSDXXVHG-UHFFFAOYSA-N 1 0 384.217 2.863 20 0 GFADRO C[C@@H](NC(=O)N1CC[NH+](C2CCCC2)CC1)c1ncc(Br)cn1 ZINC000565878287 564299953 /nfs/dbraw/zinc/29/99/53/564299953.db2.gz PTBBAHJYDNHNMM-GFCCVEGCSA-N 1 0 382.306 2.570 20 0 GFADRO C[C@@H]1CN(C[C@H](O)C[NH2+]Cc2ccc(Br)cc2Cl)C[C@@H](C)O1 ZINC000565887374 564300588 /nfs/dbraw/zinc/30/05/88/564300588.db2.gz MRQIHFDYBXYXDG-LALPHHSUSA-N 1 0 391.737 2.662 20 0 GFADRO COCC[NH2+]C1CCN(C(=O)NCc2cc(Br)ccc2C)CC1 ZINC000565956007 564304385 /nfs/dbraw/zinc/30/43/85/564304385.db2.gz ATIOQOLYUMIYFR-UHFFFAOYSA-N 1 0 384.318 2.668 20 0 GFADRO CO[C@@H]1CCN(C(=O)[C@@H]2C[C@]23CCc2cc(Br)ccc23)[C@H](C[NH3+])C1 ZINC000566004499 564305582 /nfs/dbraw/zinc/30/55/82/564305582.db2.gz CPOBFYGCILGGPE-HIRMHNASSA-N 1 0 393.325 2.618 20 0 GFADRO Cn1cc(Br)c(CN[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)n1 ZINC000566088699 564308268 /nfs/dbraw/zinc/30/82/68/564308268.db2.gz ZCVLTZDCRUWJRG-YOEHRIQHSA-N 1 0 377.286 2.528 20 0 GFADRO CC(C)n1ccc(C[C@H](C)[NH2+][C@H](C(N)=O)c2cccc(Br)c2)n1 ZINC000475434248 564308579 /nfs/dbraw/zinc/30/85/79/564308579.db2.gz MMSKGHZLOUKXOH-LRDDRELGSA-N 1 0 379.302 2.974 20 0 GFADRO Cn1cc(Br)c(CN[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)n1 ZINC000566088698 564308661 /nfs/dbraw/zinc/30/86/61/564308661.db2.gz ZCVLTZDCRUWJRG-WMLDXEAASA-N 1 0 377.286 2.528 20 0 GFADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)NCC[C@H](C)[NH+]2CCCCC2)c1 ZINC000542317703 564309589 /nfs/dbraw/zinc/30/95/89/564309589.db2.gz LTENEEPLQRVSDG-ZDUSSCGKSA-N 1 0 388.917 2.669 20 0 GFADRO C[C@@H]1CN(C[C@H](O)C[NH2+]C/C=C/c2ccc(Br)cc2)C[C@@H](C)O1 ZINC000566122543 564310870 /nfs/dbraw/zinc/31/08/70/564310870.db2.gz NLHUPIXHBSCHEL-CNEIMFAQSA-N 1 0 383.330 2.522 20 0 GFADRO O[C@H](COc1cccc(Br)c1)C[N@@H+]1CCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000451410721 564311102 /nfs/dbraw/zinc/31/11/02/564311102.db2.gz CWDFXMRIROJBGJ-DZJNRPSUSA-N 1 0 384.314 2.814 20 0 GFADRO O=C1[C@@H]([NH2+]C[C@@H](O)Cc2ccccc2)CCN1c1cccc(Br)c1 ZINC000566124387 564311349 /nfs/dbraw/zinc/31/13/49/564311349.db2.gz JUJNHPIONVFOPS-ROUUACIJSA-N 1 0 389.293 2.748 20 0 GFADRO COCCCOc1ccc(Cl)cc1S(=O)(=O)NCCC[NH+]1CCCC1 ZINC000475541018 564311548 /nfs/dbraw/zinc/31/15/48/564311548.db2.gz BQJDFTXAUZGYGX-UHFFFAOYSA-N 1 0 390.933 2.520 20 0 GFADRO CN(CC[NH+](C)C)c1ccc(Br)cc1NC(=O)CCC(C)(C)O ZINC000566134000 564312102 /nfs/dbraw/zinc/31/21/02/564312102.db2.gz YCXBWVBYHDWOFW-UHFFFAOYSA-N 1 0 386.334 2.937 20 0 GFADRO Ic1ccc(CN2CCC[C@@H]2C[NH2+]Cc2ncc[nH]2)cc1 ZINC000475636127 564314785 /nfs/dbraw/zinc/31/47/85/564314785.db2.gz SZMABDYPIPAVCK-OAHLLOKOSA-N 1 0 396.276 2.769 20 0 GFADRO COc1ccc(Br)c(CC(=O)NCCC[NH2+]Cc2cccnc2)c1 ZINC000566203462 564316219 /nfs/dbraw/zinc/31/62/19/564316219.db2.gz YTHAOFDDONNSCZ-UHFFFAOYSA-N 1 0 392.297 2.691 20 0 GFADRO CCOC(=O)Cc1csc(NC(=O)C[N@H+](C)[C@@H]2CC[C@H](SCC)C2)n1 ZINC000542515713 564317067 /nfs/dbraw/zinc/31/70/67/564317067.db2.gz XCLQNEDOMWLMHX-KGLIPLIRSA-N 1 0 385.555 2.793 20 0 GFADRO O=C(C[NH2+]C1(C2CC2)CC1)N1CCN(Cc2ccc(Br)s2)CC1 ZINC000542526316 564317254 /nfs/dbraw/zinc/31/72/54/564317254.db2.gz VPGZRAQNAKNHMH-UHFFFAOYSA-N 1 0 398.370 2.687 20 0 GFADRO CN1CCN(C)[C@H](c2noc([C@H]3CCc4cc(Br)ccc43)n2)C1 ZINC000566217668 564317478 /nfs/dbraw/zinc/31/74/78/564317478.db2.gz VMJQHAWNAAAPAC-GJZGRUSLSA-N 1 0 377.286 2.829 20 0 GFADRO CN(Cc1ccc(Br)cc1N1CCOCC1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000475721096 564317565 /nfs/dbraw/zinc/31/75/65/564317565.db2.gz FRTAONOWJZYAMC-SFHVURJKSA-N 1 0 394.357 2.954 20 0 GFADRO CC[C@H](OC)C(=O)Nc1ccc(CN2CC[NH+](C)CC2)c(Br)c1 ZINC000475750473 564318499 /nfs/dbraw/zinc/31/84/99/564318499.db2.gz UNJSTDKGVFWDIU-INIZCTEOSA-N 1 0 384.318 2.560 20 0 GFADRO C[C@@H]([NH3+])C[C@H](C)NC(=O)Nc1ccnn1Cc1ccccc1Br ZINC000566228266 564318523 /nfs/dbraw/zinc/31/85/23/564318523.db2.gz CXRRLQIUHVPDQE-NEPJUHHUSA-N 1 0 380.290 2.941 20 0 GFADRO COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)NCC1([NH+](C)C)CCC1 ZINC000510000934 564320544 /nfs/dbraw/zinc/32/05/44/564320544.db2.gz CVVPPDJQMMSHQW-UHFFFAOYSA-N 1 0 395.308 2.543 20 0 GFADRO CO[C@@H]1[C@H](C)[C@@H]([NH2+]Cc2nnnn2-c2ccccc2Br)C1(C)C ZINC000451508802 564320696 /nfs/dbraw/zinc/32/06/96/564320696.db2.gz YIHMVXGJVOTUIK-VCTAVGKDSA-N 1 0 380.290 2.574 20 0 GFADRO Cc1csc(S(=O)(=O)N(C[C@H](O)CC(C)(C)C)C2CC[NH+](C)CC2)c1 ZINC000451511727 564321162 /nfs/dbraw/zinc/32/11/62/564321162.db2.gz QKJGRZSDPUIMQT-MRXNPFEDSA-N 1 0 388.599 2.939 20 0 GFADRO CCC(C)(C)[NH2+][C@@H](C)C(=O)N[C@@H](C(=O)OC)c1ccc(Br)cc1 ZINC000475902749 564323759 /nfs/dbraw/zinc/32/37/59/564323759.db2.gz DUAPQWZMIKAHMY-SMDDNHRTSA-N 1 0 385.302 2.946 20 0 GFADRO CN([C@@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1)S(=O)(=O)c1ccsc1 ZINC000510064665 564324695 /nfs/dbraw/zinc/32/46/95/564324695.db2.gz LOCYPLZVGOZCPU-QZTJIDSGSA-N 1 0 385.599 2.706 20 0 GFADRO O=C(NC[C@@]1(O)C[NH+]2CCC1CC2)c1cccc2cccc(Br)c21 ZINC000566456275 564327384 /nfs/dbraw/zinc/32/73/84/564327384.db2.gz UAQAWTFHIQWWQK-LJQANCHMSA-N 1 0 389.293 2.789 20 0 GFADRO C[N@@H+]1CC[C@@H]2OCCN(C(=O)c3cc4c(Br)cccc4cn3)[C@H]2C1 ZINC000451591191 564329158 /nfs/dbraw/zinc/32/91/58/564329158.db2.gz AETLOGRFCNDLAW-IRXDYDNUSA-N 1 0 390.281 2.542 20 0 GFADRO CO[C@@H]1CCC[C@H]1[NH2+][C@H](C)C(=O)Nc1ccc(I)cc1 ZINC000451630985 564333125 /nfs/dbraw/zinc/33/31/25/564333125.db2.gz KSKYPQLQFAVUAG-LERXQTSPSA-N 1 0 388.249 2.775 20 0 GFADRO O=C(NCc1nc2c(cccc2Br)[nH]1)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000566605514 564334456 /nfs/dbraw/zinc/33/44/56/564334456.db2.gz QXNSNUKRKGWTBG-LLVKDONJSA-N 1 0 392.301 2.609 20 0 GFADRO Cn1cc(C(=O)NCC2([NH+](C)C)CCOCC2)c(-c2ccc(Cl)s2)n1 ZINC000476393238 564337268 /nfs/dbraw/zinc/33/72/68/564337268.db2.gz QCTTVCLVGXJHPM-UHFFFAOYSA-N 1 0 382.917 2.643 20 0 GFADRO Cn1cc(N2CC[C@H]([NH2+][C@H]3CCCc4c(Br)cccc43)C2=O)cn1 ZINC000543114227 564338159 /nfs/dbraw/zinc/33/81/59/564338159.db2.gz MCLSGUWCZCNRIZ-IRXDYDNUSA-N 1 0 389.297 2.955 20 0 GFADRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1S(=O)(=O)c1ccc(Br)c(F)c1 ZINC000510558219 564338336 /nfs/dbraw/zinc/33/83/36/564338336.db2.gz IVIXVYVOKUJFRW-NEPJUHHUSA-N 1 0 391.306 2.836 20 0 GFADRO CN(Cc1ccccc1Br)C(=O)C[N@@H+]1CC[C@@H]2C[C@@H](O)CC[C@H]2C1 ZINC000451701959 564341044 /nfs/dbraw/zinc/34/10/44/564341044.db2.gz HXHOXUIISSUCOZ-VYDXJSESSA-N 1 0 395.341 2.890 20 0 GFADRO O=C(N[C@@H]1CCOc2c(Br)cccc21)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000566786294 564343117 /nfs/dbraw/zinc/34/31/17/564343117.db2.gz CKBVILOGLPJUOJ-SWLSCSKDSA-N 1 0 380.286 2.809 20 0 GFADRO COC(=O)C(C)(C)CC[NH2+]Cc1cn(-c2ccccc2Br)nn1 ZINC000566825409 564345125 /nfs/dbraw/zinc/34/51/25/564345125.db2.gz CFIOGHKAVSSDIB-UHFFFAOYSA-N 1 0 381.274 2.709 20 0 GFADRO CN(CCC[NH+](C)C)C(=O)Nc1ccc(-c2ccc(Br)s2)nn1 ZINC000566834178 564345679 /nfs/dbraw/zinc/34/56/79/564345679.db2.gz WDCZDVSLEKSQGF-UHFFFAOYSA-N 1 0 398.330 3.383 20 0 GFADRO CS(=O)(=O)c1cccc(Cl)c1C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000476595271 564347460 /nfs/dbraw/zinc/34/74/60/564347460.db2.gz KJGJKGXJCYULRM-CQSZACIVSA-N 1 0 384.929 2.738 20 0 GFADRO CCC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1ccc(OC)cc1Br ZINC000511016120 564353588 /nfs/dbraw/zinc/35/35/88/564353588.db2.gz QGCVJPJECOOXEI-LBPRGKRZSA-N 1 0 391.331 2.610 20 0 GFADRO C[C@@H](O)C[N@@H+]1CCN(C(=O)CCCOc2cccc(Br)c2)[C@H](C)C1 ZINC000476850994 564355455 /nfs/dbraw/zinc/35/54/55/564355455.db2.gz RTTMTEYLIROYKF-HUUCEWRRSA-N 1 0 399.329 2.522 20 0 GFADRO Cc1cc(CN2CCC[C@@H](S(=O)(=O)N(C)C)C2)ccc1Br ZINC000511124608 564358470 /nfs/dbraw/zinc/35/84/70/564358470.db2.gz LGSYHMSBIOHGGX-CQSZACIVSA-N 1 0 375.332 2.613 20 0 GFADRO O=C1C[C@H](C[NH2+]Cc2ccc(F)cc2I)CN1C1CC1 ZINC000567172608 564361211 /nfs/dbraw/zinc/36/12/11/564361211.db2.gz VGNLONWZYXYJJO-SNVBAGLBSA-N 1 0 388.224 2.531 20 0 GFADRO Cc1cc(F)c(Br)cc1S(=O)(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000451924068 564367609 /nfs/dbraw/zinc/36/76/09/564367609.db2.gz BINVZEAZHYKRND-YOGCLGLASA-N 1 0 391.306 2.800 20 0 GFADRO COC[C@@]1(CO)CC[N@H+](Cc2ccnc(-c3ccc(Br)cc3)n2)C1 ZINC000451925218 564367629 /nfs/dbraw/zinc/36/76/29/564367629.db2.gz FXXQBEPZNALBIJ-SFHVURJKSA-N 1 0 392.297 2.737 20 0 GFADRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NS(=O)(=O)c1ccc(C(F)(F)F)nc1 ZINC000543908855 564369031 /nfs/dbraw/zinc/36/90/31/564369031.db2.gz ODRALNRQYZQUAN-JHJVBQTASA-N 1 0 379.448 2.745 20 0 GFADRO OC[C@H]([NH2+]Cc1coc(-c2ccc(Br)cc2)n1)C1CCOCC1 ZINC000567420185 564370797 /nfs/dbraw/zinc/37/07/97/564370797.db2.gz FUGNQHHSHVCTAY-INIZCTEOSA-N 1 0 381.270 2.981 20 0 GFADRO O=C(C[N@@H+]1CCC[C@@]2(CCSC2)C1)N1CCN(Cc2ccsc2)CC1 ZINC000451958886 564372309 /nfs/dbraw/zinc/37/23/09/564372309.db2.gz AHBKEQJIKZBFQP-LJQANCHMSA-N 1 0 379.595 2.611 20 0 GFADRO Cc1ccc(I)cc1C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000477326440 564373482 /nfs/dbraw/zinc/37/34/82/564373482.db2.gz UMXUXTQIMRMASU-LSDHHAIUSA-N 1 0 384.261 2.956 20 0 GFADRO COCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](Cc2cc(F)ccc2Br)C1 ZINC000511498362 564373842 /nfs/dbraw/zinc/37/38/42/564373842.db2.gz YNKNZWKYRUSRMZ-QWHCGFSZSA-N 1 0 387.293 2.951 20 0 GFADRO COCC[N@@H+](Cc1ccc(F)c(Cl)c1)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000451974720 564373973 /nfs/dbraw/zinc/37/39/73/564373973.db2.gz JIUWNCLUXOKVDN-HNNXBMFYSA-N 1 0 392.924 2.599 20 0 GFADRO NC(=O)[C@H](Cc1ccc(F)cc1)[NH2+]CCOc1cccc(Br)c1 ZINC000544095091 564374214 /nfs/dbraw/zinc/37/42/14/564374214.db2.gz MLZPFPVNSAHEFS-INIZCTEOSA-N 1 0 381.245 2.653 20 0 GFADRO C[C@@](CO)([NH2+]CC(=O)NC(C1CC1)C1CC1)c1ccc(Br)cc1 ZINC000511587023 564376531 /nfs/dbraw/zinc/37/65/31/564376531.db2.gz IQXSGVZFUQAPPX-SFHVURJKSA-N 1 0 381.314 2.551 20 0 GFADRO COCC(=O)N1CCC([NH2+][C@@H]2CCc3cccc(Br)c3C2)CC1 ZINC000567570425 564377328 /nfs/dbraw/zinc/37/73/28/564377328.db2.gz YKAIEVLDWLOQJH-OAHLLOKOSA-N 1 0 381.314 2.533 20 0 GFADRO Cc1ccc(CNC(=O)C[NH2+][C@](C)(CO)c2ccc(Br)cc2)cc1 ZINC000511603638 564377847 /nfs/dbraw/zinc/37/78/47/564377847.db2.gz BRVTXOFEDFZTJG-LJQANCHMSA-N 1 0 391.309 2.871 20 0 GFADRO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@@H+]2CC(=O)N(C)Cc1ccccc1Br ZINC000511663728 564379539 /nfs/dbraw/zinc/37/95/39/564379539.db2.gz MLBXMDLJENZGQX-LTFPAQTLSA-N 1 0 393.325 2.763 20 0 GFADRO C[C@H](NC(=O)N1CCc2ccccc2[C@H]1C[NH3+])c1ncc(Br)cn1 ZINC000567610766 564379700 /nfs/dbraw/zinc/37/97/00/564379700.db2.gz ZRHCKRNRDZDHOW-XHDPSFHLSA-N 1 0 390.285 2.568 20 0 GFADRO COCc1ccccc1/C=C(\C)C[NH2+]CCNS(=O)(=O)c1cccs1 ZINC000511735920 564380956 /nfs/dbraw/zinc/38/09/56/564380956.db2.gz FUGCQIKSRQAJMK-NTCAYCPXSA-N 1 0 380.535 2.866 20 0 GFADRO Cc1cnn(C)c1CNc1ccc(CN2CC[NH+](C)CC2)c(Br)c1 ZINC000511781928 564381999 /nfs/dbraw/zinc/38/19/99/564381999.db2.gz UUXSAVXHMDVLCA-UHFFFAOYSA-N 1 0 392.345 2.851 20 0 GFADRO O=C(CC[NH2+]CCCN1CCCCC1=O)Nc1cccc(Br)c1 ZINC000567679787 564382127 /nfs/dbraw/zinc/38/21/27/564382127.db2.gz FXNAAMFMKIJIGF-UHFFFAOYSA-N 1 0 382.302 2.770 20 0 GFADRO CN1CC[C@H](C[NH2+][C@H](c2ccc(Br)cc2)c2cncnc2)CC1=O ZINC000567663144 564382540 /nfs/dbraw/zinc/38/25/40/564382540.db2.gz BHLUANCAOCQMSQ-SCLBCKFNSA-N 1 0 389.297 2.787 20 0 GFADRO CCOC(=O)CC[C@@H](O)C[NH2+][C@@H](C)Cc1cc(Br)ccc1F ZINC000567685641 564382981 /nfs/dbraw/zinc/38/29/81/564382981.db2.gz HHLWGGYRSWMAGP-SMDDNHRTSA-N 1 0 376.266 2.813 20 0 GFADRO CC[C@@H]([NH2+]CC(=O)N(C)CCOc1ccc(Br)cc1)[C@H]1CCCO1 ZINC000544458533 564386832 /nfs/dbraw/zinc/38/68/32/564386832.db2.gz IUUVUDJSPILXMS-IAGOWNOFSA-N 1 0 399.329 2.834 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)c2cccc(Br)c2Cl)CC12CCOCC2 ZINC000567847008 564391986 /nfs/dbraw/zinc/39/19/86/564391986.db2.gz ZLZNPGAHFSHXKB-LLVKDONJSA-N 1 0 387.705 2.930 20 0 GFADRO CN(Cc1cc(Br)cs1)C(=O)C[NH2+]C(C)(C)CN1CCCC1 ZINC000452099669 564392090 /nfs/dbraw/zinc/39/20/90/564392090.db2.gz XSTCAKMIHNZJHF-UHFFFAOYSA-N 1 0 388.375 2.933 20 0 GFADRO CC(C)[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2cccc(OC(F)(F)F)c2F)C1 ZINC000452105278 564392777 /nfs/dbraw/zinc/39/27/77/564392777.db2.gz NPBVOWIJWJSWQG-LLVKDONJSA-N 1 0 384.395 2.828 20 0 GFADRO CC(C)[NH2+]CCCNS(=O)(=O)c1c(Cl)cc(F)cc1Br ZINC000567851074 564392737 /nfs/dbraw/zinc/39/27/37/564392737.db2.gz FOMVANSKNWLOKY-UHFFFAOYSA-N 1 0 387.702 2.908 20 0 GFADRO C[C@H](C[C@H](C)[NH3+])NS(=O)(=O)c1ccc(Br)c(C(F)(F)F)c1 ZINC000567859543 564392977 /nfs/dbraw/zinc/39/29/77/564392977.db2.gz GQHPQVCNINZJNE-JGVFFNPUSA-N 1 0 389.237 2.872 20 0 GFADRO CC(=O)Nc1cc(F)c(S(=O)(=O)N(C)[C@@H]2CC[N@@H+](C(C)C)C2)cc1Cl ZINC000452105183 564392958 /nfs/dbraw/zinc/39/29/58/564392958.db2.gz NJTFPNNNXQMKJC-GFCCVEGCSA-N 1 0 391.896 2.541 20 0 GFADRO C[C@H](NC(=O)C[N@@H+]1CC(C)(C)[C@@H]2COC[C@@H]21)c1ccc(Br)cc1 ZINC000452103371 564393157 /nfs/dbraw/zinc/39/31/57/564393157.db2.gz IBRBMRXSEQYULO-MAZHCROVSA-N 1 0 381.314 2.983 20 0 GFADRO OCc1ccccc1C[NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000567875581 564393517 /nfs/dbraw/zinc/39/35/17/564393517.db2.gz HQQAAIKMSPSMAI-MRXNPFEDSA-N 1 0 384.245 2.610 20 0 GFADRO C[C@H](CNCc1ncc(I)s1)[N@@H+]1CCC[C@@H](C)C1 ZINC000512148375 564393768 /nfs/dbraw/zinc/39/37/68/564393768.db2.gz NXZJETSJTHXQMI-GHMZBOCLSA-N 1 0 379.311 2.958 20 0 GFADRO CC(C)[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2cc(F)c(Br)cc2F)C1 ZINC000452107193 564393907 /nfs/dbraw/zinc/39/39/07/564393907.db2.gz RSJJJTNQORANBT-SNVBAGLBSA-N 1 0 397.285 2.831 20 0 GFADRO C[C@@H]1CSC[C@@H]1[NH2+]CC(=O)Nc1ccccc1I ZINC000512168856 564394749 /nfs/dbraw/zinc/39/47/49/564394749.db2.gz VOPULXQBESDUHB-SKDRFNHKSA-N 1 0 376.263 2.571 20 0 GFADRO C[C@H]1CSC[C@H]1[NH2+]CC(=O)Nc1ccc(I)cc1 ZINC000512182598 564394880 /nfs/dbraw/zinc/39/48/80/564394880.db2.gz FBCWJKUIACGPPJ-JOYOIKCWSA-N 1 0 376.263 2.571 20 0 GFADRO CC(C)[N@@H+]1CC[C@@H](N(C)CC(=O)N(C)Cc2cc(Br)cs2)C1 ZINC000452125639 564394868 /nfs/dbraw/zinc/39/48/68/564394868.db2.gz YCTZFLFDRMAWNN-CQSZACIVSA-N 1 0 388.375 2.884 20 0 GFADRO CCO[C@@H]1COCC[C@@H]1[NH2+]Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000544707394 564395154 /nfs/dbraw/zinc/39/51/54/564395154.db2.gz KQKOVRCLFJAYRI-DLBZAZTESA-N 1 0 380.286 2.918 20 0 GFADRO COC[C@H](C[NH2+][C@@H]1CCCOc2ccc(I)cc21)OC ZINC000512286411 564397189 /nfs/dbraw/zinc/39/71/89/564397189.db2.gz CCJPNZFMPOMWOO-GXTWGEPZSA-N 1 0 391.249 2.756 20 0 GFADRO CN1C(=O)C[C@H](C(=O)N2CCC[N@H+](C)CC2)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000478231232 564397515 /nfs/dbraw/zinc/39/75/15/564397515.db2.gz QHBFJKZRCBVSGC-GUYCJALGSA-N 1 0 384.307 2.677 20 0 GFADRO CC(C)NC(=O)CC[NH+]1CCN(Cc2cc(Br)ccc2F)CC1 ZINC000478288339 564398362 /nfs/dbraw/zinc/39/83/62/564398362.db2.gz QKUPKHWIHIOGRP-UHFFFAOYSA-N 1 0 386.309 2.621 20 0 GFADRO O=C(CSc1cccc(Br)c1)N[C@@H](CO)C[NH+]1CCCCC1 ZINC000512359355 564398954 /nfs/dbraw/zinc/39/89/54/564398954.db2.gz FNCNXRQDTZKPLO-CQSZACIVSA-N 1 0 387.343 2.504 20 0 GFADRO C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)N[C@@H](CO)C[NH+]1CCCCC1 ZINC000512374574 564399371 /nfs/dbraw/zinc/39/93/71/564399371.db2.gz GWKDNDKFUNOSQG-CHWSQXEVSA-N 1 0 375.296 2.724 20 0 GFADRO Cn1cc(Br)c(C(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)n1 ZINC000568045930 564402385 /nfs/dbraw/zinc/40/23/85/564402385.db2.gz MIXWRZJKEBGGJY-AWEZNQCLSA-N 1 0 383.334 2.911 20 0 GFADRO C[NH+](C)CC1(NS(=O)(=O)c2cc(Br)sc2Cl)CCC1 ZINC000544866003 564402688 /nfs/dbraw/zinc/40/26/88/564402688.db2.gz MDOKPRBUODGXJR-UHFFFAOYSA-N 1 0 387.752 2.927 20 0 GFADRO CCOc1cc(C[NH2+]C[C@@H](O)COCC(C)C)cc(Br)c1O ZINC000568125045 564404832 /nfs/dbraw/zinc/40/48/32/564404832.db2.gz ZRNDKCVXNJVBIH-CYBMUJFWSA-N 1 0 376.291 2.677 20 0 GFADRO C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NC[C@@H]1CCC[N@@H+]1CCCO ZINC000452344578 564406886 /nfs/dbraw/zinc/40/68/86/564406886.db2.gz CRSCGZRLKOUQTL-OCCSQVGLSA-N 1 0 375.296 2.724 20 0 GFADRO O=C(NC[C@H]1CCC[N@H+]1CCCO)[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000452344237 564406932 /nfs/dbraw/zinc/40/69/32/564406932.db2.gz NMSFVXKWPORWKI-IXDOHACOSA-N 1 0 381.314 2.516 20 0 GFADRO O=C(NC[C@H]1CCC[N@H+]1CCCO)c1cc2cc(Br)ccc2[nH]1 ZINC000452356204 564407756 /nfs/dbraw/zinc/40/77/56/564407756.db2.gz ZVLWBSIRRYMKQZ-CQSZACIVSA-N 1 0 380.286 2.507 20 0 GFADRO CN(Cc1ccc([S@@](C)=O)cc1)C(=O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000568197518 564408953 /nfs/dbraw/zinc/40/89/53/564408953.db2.gz ALAWFKRZJFUJEU-SSOJOUAXSA-N 1 0 380.579 2.600 20 0 GFADRO O=C(NC[C@H]1CCC[N@H+]1CCCO)c1ccc(Cl)cc1Br ZINC000452376081 564410334 /nfs/dbraw/zinc/41/03/34/564410334.db2.gz YRTZGWOOPVSRDX-GFCCVEGCSA-N 1 0 375.694 2.679 20 0 GFADRO C[N@@H+]1CC[C@](O)(CNCc2cnc(-c3ccc(Br)cc3)s2)C1 ZINC000545166776 564411046 /nfs/dbraw/zinc/41/10/46/564411046.db2.gz DUFCGPTXXXEKNP-INIZCTEOSA-N 1 0 382.327 2.729 20 0 GFADRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1scnc1C(F)(F)F ZINC000568291936 564412927 /nfs/dbraw/zinc/41/29/27/564412927.db2.gz YOEKKULWQIVJDE-NEPJUHHUSA-N 1 0 377.432 2.660 20 0 GFADRO COCC[NH+](CCOC)C1CCN(Cc2ncc(Cl)cc2Cl)CC1 ZINC000512833898 564414093 /nfs/dbraw/zinc/41/40/93/564414093.db2.gz PBWSWGRCYYDLJD-UHFFFAOYSA-N 1 0 376.328 2.948 20 0 GFADRO CS(=O)(=O)N[C@H]1CCCC[C@@H]1C[NH2+]Cc1ccc(Br)cc1F ZINC000512869418 564414608 /nfs/dbraw/zinc/41/46/08/564414608.db2.gz RQADKRJIJCZJKL-DOMZBBRYSA-N 1 0 393.322 2.786 20 0 GFADRO CCOc1cc(Br)c(CC(=O)NCc2c[nH]cn2)cc1OCC ZINC000478826643 564416046 /nfs/dbraw/zinc/41/60/46/564416046.db2.gz RMWYWMUHBGXQNH-UHFFFAOYSA-N 1 0 382.258 2.829 20 0 GFADRO CC[N@H+](CCO)CCNC(=O)c1[nH]c2ccc(Br)cc2c1Cl ZINC000545305192 564416092 /nfs/dbraw/zinc/41/60/92/564416092.db2.gz BJOMJBJWLCEWLM-UHFFFAOYSA-N 1 0 388.693 2.628 20 0 GFADRO CC[NH+](CC)C[C@H](C)NC(=O)N(CCO)Cc1ccc(Br)s1 ZINC000478814977 564416397 /nfs/dbraw/zinc/41/63/97/564416397.db2.gz TYIBRIOSEVZVKX-LBPRGKRZSA-N 1 0 392.363 2.745 20 0 GFADRO Cc1cc(Br)cc(C)c1N1CCC[C@@H]([NH2+]Cc2cnnn2C)C1 ZINC000512983729 564416671 /nfs/dbraw/zinc/41/66/71/564416671.db2.gz VXDPAWQYNCLOAQ-OAHLLOKOSA-N 1 0 378.318 2.953 20 0 GFADRO CC[N@@H+]1CCC[C@H](CNS(=O)(=O)c2ccc(OCC(F)(F)F)cc2)C1 ZINC000545318175 564416896 /nfs/dbraw/zinc/41/68/96/564416896.db2.gz SJCWCHITSGCZDA-CYBMUJFWSA-N 1 0 380.432 2.638 20 0 GFADRO C[C@H](C[NH2+]C[C@H]1CCCCN1S(C)(=O)=O)c1cccc(Br)c1 ZINC000512983189 564416975 /nfs/dbraw/zinc/41/69/75/564416975.db2.gz NIDCZQXONABHAX-CZUORRHYSA-N 1 0 389.359 2.956 20 0 GFADRO COc1cc(Br)ccc1C[NH2+]C[C@H](N1CCOCC1)C(F)(F)F ZINC000512977844 564417147 /nfs/dbraw/zinc/41/71/47/564417147.db2.gz SWVNUNDDTPHYRP-AWEZNQCLSA-N 1 0 397.235 2.810 20 0 GFADRO Cc1cc(Br)cc(C)c1N1CCC[C@@H]([NH2+]Cc2cn(C)nn2)C1 ZINC000512982770 564417181 /nfs/dbraw/zinc/41/71/81/564417181.db2.gz IHUXGDXGNMIBFO-OAHLLOKOSA-N 1 0 378.318 2.953 20 0 GFADRO COc1c(Cl)cc(Cl)cc1C[NH2+]C[C@H]1CCCCN1S(C)(=O)=O ZINC000513038414 564418703 /nfs/dbraw/zinc/41/87/03/564418703.db2.gz XXZRUPFELQITPJ-CYBMUJFWSA-N 1 0 381.325 2.906 20 0 GFADRO CC[NH+](CC)CC(=O)N1CCN(Cc2cc(C)c(Br)s2)CC1 ZINC000513387216 564428730 /nfs/dbraw/zinc/42/87/30/564428730.db2.gz XIBRFDBUHMSIEM-UHFFFAOYSA-N 1 0 388.375 2.805 20 0 GFADRO CCS(=O)(=O)c1ccc(C[NH2+]C2CCN(CCC(F)(F)F)CC2)cc1 ZINC000513468823 564430102 /nfs/dbraw/zinc/43/01/02/564430102.db2.gz KQUVRODACQPBAZ-UHFFFAOYSA-N 1 0 378.460 2.987 20 0 GFADRO C[C@@H](Cc1ccc(O)cc1)[NH2+]CCCNS(=O)(=O)c1ccccc1Cl ZINC000513454895 564430214 /nfs/dbraw/zinc/43/02/14/564430214.db2.gz IQJRBQPBLIVQCR-AWEZNQCLSA-N 1 0 382.913 2.935 20 0 GFADRO CNS(=O)(=O)C[C@H]1CCCN1Cc1c(Cl)cc(Cl)cc1N(C)C ZINC000568691298 564430491 /nfs/dbraw/zinc/43/04/91/564430491.db2.gz MSJFWXKUPYCIAQ-GFCCVEGCSA-N 1 0 380.341 2.573 20 0 GFADRO O=C(CCOc1ccc(Cl)c(Cl)c1)NC[C@H]1CCC[N@H+]1CCCO ZINC000452779287 564431589 /nfs/dbraw/zinc/43/15/89/564431589.db2.gz FTHOLTJSPIZYIA-CYBMUJFWSA-N 1 0 375.296 2.725 20 0 GFADRO CC(=O)NCc1ccc(-c2nc(NC(=O)[C@]3(C)CCC[NH2+]3)sc2C)s1 ZINC000568740583 564432056 /nfs/dbraw/zinc/43/20/56/564432056.db2.gz YSTJHVJTOWSNQR-KRWDZBQOSA-N 1 0 378.523 2.897 20 0 GFADRO C[C@@H]([NH2+][C@@H]1CCCN(C)C1=O)c1ccc(F)c(I)c1 ZINC000453132816 564447703 /nfs/dbraw/zinc/44/77/03/564447703.db2.gz MTLFHEMRCZEKQZ-NOZJJQNGSA-N 1 0 376.213 2.702 20 0 GFADRO C[NH+]1CCC(C)(CNc2ncnc3cccc(I)c32)CC1 ZINC000545874700 564436013 /nfs/dbraw/zinc/43/60/13/564436013.db2.gz NBKKFOKFQQJPKC-UHFFFAOYSA-N 1 0 396.276 3.378 20 0 GFADRO CC1(C)C[C@H]([NH2+]CCCNS(C)(=O)=O)c2cc(Br)ccc21 ZINC000479364102 564437154 /nfs/dbraw/zinc/43/71/54/564437154.db2.gz VWUODHDFLAXDMU-AWEZNQCLSA-N 1 0 375.332 2.700 20 0 GFADRO C[NH+](C)CCN(Cc1ccccc1)c1ncc(I)cn1 ZINC000545916336 564437740 /nfs/dbraw/zinc/43/77/40/564437740.db2.gz PZDBNXXQEHKLMR-UHFFFAOYSA-N 1 0 382.249 2.649 20 0 GFADRO CC[NH+](CC)Cc1ccc(C(=O)NCc2ccc(S(C)(=O)=O)s2)cc1 ZINC000513738813 564437779 /nfs/dbraw/zinc/43/77/79/564437779.db2.gz ZXQDYWKOJMOBKV-UHFFFAOYSA-N 1 0 380.535 2.923 20 0 GFADRO O=C(Cc1ccc(Cl)s1)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO ZINC000513806301 564439629 /nfs/dbraw/zinc/43/96/29/564439629.db2.gz GXHSAWWDOARKLN-RDJZCZTQSA-N 1 0 378.925 2.943 20 0 GFADRO COCC[C@H](Cc1cccc(Br)c1)C(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000452982928 564440435 /nfs/dbraw/zinc/44/04/35/564440435.db2.gz BLGQBTNTMPIONO-SOLBZPMBSA-N 1 0 395.341 2.807 20 0 GFADRO CN1CCN(C(=O)CC[N@H+](Cc2cc(Br)ccc2F)C2CC2)CC1 ZINC000513880806 564440999 /nfs/dbraw/zinc/44/09/99/564440999.db2.gz DSEOKUQXZZUAFM-UHFFFAOYSA-N 1 0 398.320 2.717 20 0 GFADRO CC[N@@H+](Cc1ccccc1Br)C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000513883710 564442047 /nfs/dbraw/zinc/44/20/47/564442047.db2.gz JCBJUESKNUNYEG-CYBMUJFWSA-N 1 0 375.332 2.553 20 0 GFADRO CC[N@@H+](Cc1ccccc1Br)C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000513883711 564442125 /nfs/dbraw/zinc/44/21/25/564442125.db2.gz JCBJUESKNUNYEG-ZDUSSCGKSA-N 1 0 375.332 2.553 20 0 GFADRO C[C@]1(CO)CCC[N@@H+]1C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000546104603 564444558 /nfs/dbraw/zinc/44/45/58/564444558.db2.gz MAHZQHYBQVQASB-IUODEOHRSA-N 1 0 378.694 2.689 20 0 GFADRO C[C@H]1CC[N@H+](CC(=O)NC[C@H]2CCN(c3ccc(Br)cc3)C2)C1 ZINC000568997875 564444600 /nfs/dbraw/zinc/44/46/00/564444600.db2.gz OWLNOFNBQPLKRP-LSDHHAIUSA-N 1 0 380.330 2.733 20 0 GFADRO C[NH+](C)C[C@@](C)(O)CNC(=O)CCCC(=O)c1ccc(Cl)c(Cl)c1 ZINC000514035497 564444620 /nfs/dbraw/zinc/44/46/20/564444620.db2.gz ZYKDFOQHHMIESX-KRWDZBQOSA-N 1 0 375.296 2.775 20 0 GFADRO C[C@H](CN1CCOCC1)[NH2+][C@H](C)c1ccc(F)c(I)c1 ZINC000453061331 564445440 /nfs/dbraw/zinc/44/54/40/564445440.db2.gz OXKOIBWEXISZOC-VXGBXAGGSA-N 1 0 392.256 2.802 20 0 GFADRO C[C@@H]([C@@H]1Cc2ccccc2O1)[N@H+](C)Cc1cc(Cl)cc(S(N)(=O)=O)c1 ZINC000569007426 564445625 /nfs/dbraw/zinc/44/56/25/564445625.db2.gz JKAKSRFNVGTNRH-SGTLLEGYSA-N 1 0 380.897 2.811 20 0 GFADRO CN1C(=O)C[C@H](C(=O)NCC[N@H+](C)C2CC2)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000479640779 564446291 /nfs/dbraw/zinc/44/62/91/564446291.db2.gz WGNFFYBELZSBTH-SUMWQHHRSA-N 1 0 384.307 2.723 20 0 GFADRO COC1([C@H](C)[NH2+]CCCNC(=O)c2cccc(Br)c2)CCOCC1 ZINC000453095225 564446546 /nfs/dbraw/zinc/44/65/46/564446546.db2.gz PABBPSYAYBZESG-AWEZNQCLSA-N 1 0 399.329 2.743 20 0 GFADRO CCO[C@@H]1COCC[C@H]1[NH2+][C@H](C)CC(=O)Nc1ccc(Br)cc1 ZINC000546163206 564447011 /nfs/dbraw/zinc/44/70/11/564447011.db2.gz GDVJCHYQJBBBRO-DAXOMENPSA-N 1 0 385.302 2.950 20 0 GFADRO COC1([C@@H](C)[NH2+]CCCNC(=O)c2cccc(Br)c2)CCOCC1 ZINC000453095227 564447226 /nfs/dbraw/zinc/44/72/26/564447226.db2.gz PABBPSYAYBZESG-CQSZACIVSA-N 1 0 399.329 2.743 20 0 GFADRO CC[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc(S(=O)(=O)NC)c1)c1ccsc1 ZINC000453157729 564448424 /nfs/dbraw/zinc/44/84/24/564448424.db2.gz JCGKXCRSVAOXBI-BLLLJJGKSA-N 1 0 381.523 2.724 20 0 GFADRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+][C@@H](C)c1ccc(F)c(I)c1 ZINC000453162908 564448448 /nfs/dbraw/zinc/44/84/48/564448448.db2.gz KYNBVAYFWAOCBD-DRCTWCGVSA-N 1 0 390.240 2.996 20 0 GFADRO O=C(N1CCN([C@@H]2CC[NH2+]C2)CC1)C1(c2ccc(Cl)c(Cl)c2)CCC1 ZINC000569101231 564448519 /nfs/dbraw/zinc/44/85/19/564448519.db2.gz CPROFXRBCXVFJU-OAHLLOKOSA-N 1 0 382.335 2.921 20 0 GFADRO CNS(=O)(=O)c1cccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2csc(C)c2)c1 ZINC000453165182 564448642 /nfs/dbraw/zinc/44/86/42/564448642.db2.gz UYLCEUKFPFYMBA-QWHCGFSZSA-N 1 0 381.523 2.642 20 0 GFADRO O=C(NC[C@H]1C[NH2+]CCO1)c1cccnc1Oc1ccc(Cl)cc1Cl ZINC000569101872 564449114 /nfs/dbraw/zinc/44/91/14/564449114.db2.gz FJFAGUYQZZJSKU-GFCCVEGCSA-N 1 0 382.247 2.899 20 0 GFADRO CO[C@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)N1CCC[C@H](C[NH3+])C1 ZINC000569093641 564449229 /nfs/dbraw/zinc/44/92/29/564449229.db2.gz ISNSUTYHQDFCMQ-IOASZLSFSA-N 1 0 384.318 2.905 20 0 GFADRO COC1([C@@H](C)[NH2+]C[C@@H](CO)Cc2cccc(Br)c2)CCOCC1 ZINC000453201686 564449659 /nfs/dbraw/zinc/44/96/59/564449659.db2.gz CGDYAWBPRSDXIT-ZBFHGGJFSA-N 1 0 386.330 2.774 20 0 GFADRO CC[C@@H](COCC(F)(F)F)[NH2+][C@H](C)c1cc(S(N)(=O)=O)c(C)cc1C ZINC000453258129 564450613 /nfs/dbraw/zinc/45/06/13/564450613.db2.gz ODLNRRQPBYNPAM-OLZOCXBDSA-N 1 0 382.448 2.959 20 0 GFADRO O=S(=O)(CC[NH2+]CC[C@H]1CCCCO1)c1cccc(Br)c1 ZINC000514597683 564450768 /nfs/dbraw/zinc/45/07/68/564450768.db2.gz YXYYMSORVBMICJ-CQSZACIVSA-N 1 0 376.316 2.772 20 0 GFADRO CC(=O)Nc1ccc([C@@H](C)[NH2+]CCn2cc(Br)ccc2=O)cc1 ZINC000453254080 564451239 /nfs/dbraw/zinc/45/12/39/564451239.db2.gz QSIMAHNYRXKEMK-GFCCVEGCSA-N 1 0 378.270 2.920 20 0 GFADRO CN(CCC[NH+]1CCCC1)Cc1cn(-c2ccccc2Br)nn1 ZINC000514638526 564451489 /nfs/dbraw/zinc/45/14/89/564451489.db2.gz BZAVZVWJIGCRQG-UHFFFAOYSA-N 1 0 378.318 2.948 20 0 GFADRO CCC[N@H+](CC)C[C@H](C)NS(=O)(=O)c1cc(OC)ccc1Br ZINC000569157668 564451565 /nfs/dbraw/zinc/45/15/65/564451565.db2.gz BDHMLNISDKTCAL-LBPRGKRZSA-N 1 0 393.347 2.856 20 0 GFADRO CC[C@H](CNS(C)(=O)=O)[NH2+][C@H](Cc1ccccc1Br)C1CC1 ZINC000453279735 564451859 /nfs/dbraw/zinc/45/18/59/564451859.db2.gz JGPFESZZQYRBQJ-GDBMZVCRSA-N 1 0 389.359 2.688 20 0 GFADRO O=C(CSc1cc(Cl)ccc1Cl)NC[C@]1(O)C[NH+]2CCC1CC2 ZINC000569172736 564452123 /nfs/dbraw/zinc/45/21/23/564452123.db2.gz ZXGSXEMCVZONSF-INIZCTEOSA-N 1 0 375.321 2.658 20 0 GFADRO C[C@@H](CC(C)(C)O)[NH2+][C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000453308212 564452887 /nfs/dbraw/zinc/45/28/87/564452887.db2.gz DGAZPSVJQPQKOB-GWCFXTLKSA-N 1 0 376.316 2.807 20 0 GFADRO O[C@@H](C[NH2+][C@@H]1CCN(C2CC2)C1)COc1ccc(Cl)cc1Br ZINC000569229231 564454654 /nfs/dbraw/zinc/45/46/54/564454654.db2.gz LYVPKYHNIYPLPR-OCCSQVGLSA-N 1 0 389.721 2.669 20 0 GFADRO COc1ccc(C[C@H](CO)C[NH2+][C@H]2CCn3ccnc32)cc1Br ZINC000453360223 564454732 /nfs/dbraw/zinc/45/47/32/564454732.db2.gz JSGVTLKAOIDLMO-ZFWWWQNUSA-N 1 0 380.286 2.540 20 0 GFADRO CCO[C@@H]1CCC[C@H]1[NH2+][C@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000453398923 564456483 /nfs/dbraw/zinc/45/64/83/564456483.db2.gz JTOANDFMGYNQPK-LERXQTSPSA-N 1 0 391.331 2.705 20 0 GFADRO Cn1nccc1[C@H]1C[C@@H]([NH2+]Cc2cc3c(cc2Br)OCO3)CCO1 ZINC000514776485 564457263 /nfs/dbraw/zinc/45/72/63/564457263.db2.gz FUNIUWYSLSCRQM-SWLSCSKDSA-N 1 0 394.269 2.921 20 0 GFADRO C[C@@H](Cn1cc(Br)ccc1=O)NCc1nccc(C(F)(F)F)n1 ZINC000569318753 564457840 /nfs/dbraw/zinc/45/78/40/564457840.db2.gz ZMLWOGRBQOGFPB-VIFPVBQESA-N 1 0 391.191 2.598 20 0 GFADRO C[C@H]([NH2+]C[C@@H](N1CCOCC1)C(F)(F)F)c1cncc(Br)c1 ZINC000514798597 564458436 /nfs/dbraw/zinc/45/84/36/564458436.db2.gz JQBHBMKTWMUABP-GXFFZTMASA-N 1 0 382.224 2.758 20 0 GFADRO C[NH+](C)C[C@@H]1CCN(c2ncnc3cccc(I)c32)C1 ZINC000546581872 564460054 /nfs/dbraw/zinc/46/00/54/564460054.db2.gz HJSKUNJWYBMKAD-NSHDSACASA-N 1 0 382.249 2.622 20 0 GFADRO Cc1cnccc1C[NH2+]CCCNS(=O)(=O)c1ccccc1Br ZINC000569425349 564463246 /nfs/dbraw/zinc/46/32/46/564463246.db2.gz BVNXTPAVWJYKDB-UHFFFAOYSA-N 1 0 398.326 2.611 20 0 GFADRO CCCCN(C1CC(C)(C)[NH2+]C(C)(C)C1)S(=O)(=O)C[C@@H](C)C(=O)OC ZINC000569446620 564463623 /nfs/dbraw/zinc/46/36/23/564463623.db2.gz FXXMFIFYNMLAET-CQSZACIVSA-N 1 0 376.563 2.537 20 0 GFADRO CN(C(=O)NCC[C@H]1CC[NH2+]C1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000569458746 564463729 /nfs/dbraw/zinc/46/37/29/564463729.db2.gz AGQKREFUSYDNNJ-IUODEOHRSA-N 1 0 382.302 2.914 20 0 GFADRO [NH3+]C1(C(=O)NCc2ccc(Br)cc2N2CCOCC2)CCCCC1 ZINC000514938914 564463791 /nfs/dbraw/zinc/46/37/91/564463791.db2.gz IYHHNUJDZNDLFB-UHFFFAOYSA-N 1 0 396.329 2.564 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCN(S(=O)(=O)Cc2ccc(Cl)cc2Br)C1 ZINC000569457481 564464002 /nfs/dbraw/zinc/46/40/02/564464002.db2.gz VRFSIHUOXITAHD-VHSXEESVSA-N 1 0 381.723 2.601 20 0 GFADRO Cc1cc(S(=O)(=O)NCC[NH2+][C@@H]2CCC[C@H]([C@@H]3CCOC3)C2)c(C)s1 ZINC000546654458 564464272 /nfs/dbraw/zinc/46/42/72/564464272.db2.gz PJCKZJKIBZSUAE-GVDBMIGSSA-N 1 0 386.583 2.828 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1CCNCc1cn(-c2ccccc2Br)nn1 ZINC000514977129 564464703 /nfs/dbraw/zinc/46/47/03/564464703.db2.gz VOGZEVMGUOTLLR-CQSZACIVSA-N 1 0 378.318 2.994 20 0 GFADRO C[NH+](C)CCOc1ccccc1CNS(=O)(=O)c1cc(Cl)ccc1F ZINC000515011429 564466064 /nfs/dbraw/zinc/46/60/64/564466064.db2.gz NVZYTZAVYLJWHW-UHFFFAOYSA-N 1 0 386.876 2.898 20 0 GFADRO CCCCN(C)CC[NH2+][C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000480263997 564467201 /nfs/dbraw/zinc/46/72/01/564467201.db2.gz VFVRCRQNWWIYLF-HNNXBMFYSA-N 1 0 389.359 2.989 20 0 GFADRO CC(=O)Nc1ccc(S[C@@H](C)C(=O)NC[C@]2([NH+](C)C)CCSC2)cc1 ZINC000480280353 564468100 /nfs/dbraw/zinc/46/81/00/564468100.db2.gz UDJRVEWATOGJTH-SCLBCKFNSA-N 1 0 381.567 2.679 20 0 GFADRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)[C@H]1CCc2cc(Br)ccc21 ZINC000515062038 564468181 /nfs/dbraw/zinc/46/81/81/564468181.db2.gz NNDZHJIZVPALID-GUYCJALGSA-N 1 0 395.341 2.783 20 0 GFADRO Cc1cc(C[NH2+]C[C@H](O)COCC(C)C)ccc1I ZINC000515166488 564470473 /nfs/dbraw/zinc/47/04/73/564470473.db2.gz RLVULBUNYILYCP-AWEZNQCLSA-N 1 0 377.266 2.723 20 0 GFADRO C[C@@H]([NH3+])[C@@H](C)NS(=O)(=O)c1ccc(Br)c(Cl)c1Cl ZINC000515176577 564471449 /nfs/dbraw/zinc/47/14/49/564471449.db2.gz WHRWERSMLCRWIA-PHDIDXHHSA-N 1 0 376.103 2.770 20 0 GFADRO C[N@H+]1CC=C(CNS(=O)(=O)c2ccc(Br)c(Cl)c2)CC1 ZINC000546884497 564472365 /nfs/dbraw/zinc/47/23/65/564472365.db2.gz XNQZZLRCCAVXAH-UHFFFAOYSA-N 1 0 379.707 2.643 20 0 GFADRO C[N@@H+]1CC[C@@](O)(CNC(=O)C(C)(C)COc2cc(Cl)cc(Cl)c2)C1 ZINC000480429441 564473648 /nfs/dbraw/zinc/47/36/48/564473648.db2.gz YDGADKAOGKFSBM-QGZVFWFLSA-N 1 0 375.296 2.581 20 0 GFADRO CN(C(=O)C[N@H+](C)[C@@H]1CCSC1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000480440255 564473738 /nfs/dbraw/zinc/47/37/38/564473738.db2.gz UCBCQCIIVBIQJK-RGYTYGDFSA-N 1 0 389.348 2.847 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C(=O)N(C)C1(C[NH3+])CCC1 ZINC000569695581 564474695 /nfs/dbraw/zinc/47/46/95/564474695.db2.gz DIUQDLSFYHFGDQ-UHFFFAOYSA-N 1 0 377.286 2.897 20 0 GFADRO O=S(=O)(c1ccc(Br)cc1)N1CCC[C@H]([NH2+]Cc2cc[nH]c2)C1 ZINC000480467704 564474832 /nfs/dbraw/zinc/47/48/32/564474832.db2.gz JRKMZKMAUJQQCE-HNNXBMFYSA-N 1 0 398.326 2.720 20 0 GFADRO CC[NH+]1CCN(c2nnc([C@@H](C)Oc3cccc(Br)c3)n2C)CC1 ZINC000569705703 564475285 /nfs/dbraw/zinc/47/52/85/564475285.db2.gz XQOWYSZDNSUIAJ-CYBMUJFWSA-N 1 0 394.317 2.860 20 0 GFADRO OC[C@H](C[NH2+]C[C@H](O)Cc1ccccc1)Cc1ccccc1Br ZINC000569722837 564476179 /nfs/dbraw/zinc/47/61/79/564476179.db2.gz CVDXMFHBJNZMIP-FUHWJXTLSA-N 1 0 378.310 2.793 20 0 GFADRO O[C@H](C[NH2+]CCc1c[nH]c2ncccc12)COc1cccc(Br)c1 ZINC000569836915 564480417 /nfs/dbraw/zinc/48/04/17/564480417.db2.gz CMMYNXXYVMWDFT-OAHLLOKOSA-N 1 0 390.281 2.897 20 0 GFADRO CC(C)(CS(C)(=O)=O)[NH2+]Cc1ccc(OC(F)F)c(Br)c1 ZINC000547285697 564482824 /nfs/dbraw/zinc/48/28/24/564482824.db2.gz ZXIOCVIGFILICC-UHFFFAOYSA-N 1 0 386.258 2.963 20 0 GFADRO O=S(=O)(c1cc(Br)ccc1F)N1CCCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000569913281 564483743 /nfs/dbraw/zinc/48/37/43/564483743.db2.gz ADBHMVVYNHGXFF-KGLIPLIRSA-N 1 0 391.306 2.883 20 0 GFADRO O=S(=O)(NCC[NH2+][C@@H]1CCC[C@H]([C@H]2CCOC2)C1)c1ccc(Cl)s1 ZINC000547361452 564486299 /nfs/dbraw/zinc/48/62/99/564486299.db2.gz YTFFSFZGZKYQGN-MELADBBJSA-N 1 0 392.974 2.865 20 0 GFADRO C[NH+](C)CCn1nccc1NC(=O)N[C@H]1C[C@@H]1c1cccc(Br)c1 ZINC000570020472 564487596 /nfs/dbraw/zinc/48/75/96/564487596.db2.gz GHKQUAQVQMCIJI-CABCVRRESA-N 1 0 392.301 2.885 20 0 GFADRO Cc1cc(Cl)ccc1S(=O)(=O)NCC[NH2+][C@H](C)CC(=O)OC(C)(C)C ZINC000570066666 564489708 /nfs/dbraw/zinc/48/97/08/564489708.db2.gz HDUYOPORUWTLCQ-CYBMUJFWSA-N 1 0 390.933 2.637 20 0 GFADRO C[C@@H](CNS(=O)(=O)c1ccc(OC(F)F)c(F)c1)[N@@H+]1CCC[C@H](C)C1 ZINC000570154472 564493511 /nfs/dbraw/zinc/49/35/11/564493511.db2.gz AQIOUKUQSMPHKA-RYUDHWBXSA-N 1 0 380.432 2.826 20 0 GFADRO [NH3+]CCCOC1CCN(C(=O)N[C@@H]2C[C@H]2c2cccc(Br)c2)CC1 ZINC000516167699 564494792 /nfs/dbraw/zinc/49/47/92/564494792.db2.gz PRWNQMGGFCRUCV-DLBZAZTESA-N 1 0 396.329 2.844 20 0 GFADRO O=S(=O)(CC[NH2+]C[C@@H]1COc2ccccc21)c1cccc(Br)c1 ZINC000570202427 564495368 /nfs/dbraw/zinc/49/53/68/564495368.db2.gz ILQANNRDCZQFCO-CYBMUJFWSA-N 1 0 396.306 2.989 20 0 GFADRO C[NH+](C)C[C@H](CNS(=O)(=O)CC1CC(F)(F)C1)c1ccc(Cl)cc1 ZINC000570218483 564497240 /nfs/dbraw/zinc/49/72/40/564497240.db2.gz RQFOOUWSRZPQTG-AWEZNQCLSA-N 1 0 380.888 2.950 20 0 GFADRO CC[NH+](CC)CC1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cn2)CC1 ZINC000480981348 564497944 /nfs/dbraw/zinc/49/79/44/564497944.db2.gz IPORBPQTOXZVOR-UHFFFAOYSA-N 1 0 379.448 2.843 20 0 GFADRO CC[C@H](C[C@H](C)CO)[NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000570279681 564498936 /nfs/dbraw/zinc/49/89/36/564498936.db2.gz KOXZZRPNHPMERG-NILFDRSVSA-N 1 0 378.282 2.715 20 0 GFADRO C[NH+](C)[C@]1(CNC(=O)NCCNc2ncc(Cl)cc2Cl)CCSC1 ZINC000481044679 564501245 /nfs/dbraw/zinc/50/12/45/564501245.db2.gz YHEHYCQUDQIOJG-HNNXBMFYSA-N 1 0 392.356 2.537 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)c1cc(-c2ccc(Br)cc2)n[nH]1)C1CC1 ZINC000516402760 564501759 /nfs/dbraw/zinc/50/17/59/564501759.db2.gz SMJASXGLDRVTKD-INIZCTEOSA-N 1 0 377.286 2.909 20 0 GFADRO Cc1cc(NC(=O)C[NH2+]Cc2ccc3c(c2)nnn3C)ccc1Br ZINC000481094116 564503243 /nfs/dbraw/zinc/50/32/43/564503243.db2.gz PLXUSNBZBIJEDO-UHFFFAOYSA-N 1 0 388.269 2.768 20 0 GFADRO CN(C)CC[N@H+](C)CCCN(C)C(=O)[C@H]1C[C@H]1c1cccc(Br)c1 ZINC000516511374 564503232 /nfs/dbraw/zinc/50/32/32/564503232.db2.gz SUHBWTMCRWHXHT-ROUUACIJSA-N 1 0 396.373 2.895 20 0 GFADRO CN(C)S(=O)(=O)c1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCCC[C@@H]2O)s1 ZINC000570391910 564503275 /nfs/dbraw/zinc/50/32/75/564503275.db2.gz OOBSBPYMKKQKBT-BBWFWOEESA-N 1 0 386.583 2.904 20 0 GFADRO COCCO[C@@H]1COCC[C@H]1[NH2+][C@H](C)c1ccc(OC)cc1Br ZINC000547618778 564504256 /nfs/dbraw/zinc/50/42/56/564504256.db2.gz UCIDEVKGZGFANB-CSMYWGQOSA-N 1 0 388.302 2.929 20 0 GFADRO C[C@@H](CNC(=O)N[C@@H](C)c1cc2c(cc1Br)OCCO2)[NH+](C)C ZINC000454288491 564504736 /nfs/dbraw/zinc/50/47/36/564504736.db2.gz JLUAMVVVCKTJJT-QWRGUYRKSA-N 1 0 386.290 2.531 20 0 GFADRO CC(=O)NC1CCC([NH2+]C[C@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000516562968 564505302 /nfs/dbraw/zinc/50/53/02/564505302.db2.gz LCSZICJABBJUEG-NRXISQOPSA-N 1 0 375.296 2.770 20 0 GFADRO CCS(=O)(=O)NC1CC[NH+](Cc2c[nH]nc2-c2ccc(Cl)cc2)CC1 ZINC000570436853 564505559 /nfs/dbraw/zinc/50/55/59/564505559.db2.gz FMVFRTSMIJHAIB-UHFFFAOYSA-N 1 0 382.917 2.634 20 0 GFADRO Cc1nc2ccc(C[N@@H+]3CCC[C@@H](CNS(=O)(=O)C4CC4)C3)cc2s1 ZINC000516686062 564509741 /nfs/dbraw/zinc/50/97/41/564509741.db2.gz OASMPNVDWNXJTQ-HNNXBMFYSA-N 1 0 379.551 2.899 20 0 GFADRO C[NH+](C)[C@@]1(CNS(=O)(=O)c2cc(Cl)sc2Cl)CCSC1 ZINC000481342095 564510008 /nfs/dbraw/zinc/51/00/08/564510008.db2.gz IRRZHVIHYSYAOO-LLVKDONJSA-N 1 0 375.368 2.771 20 0 GFADRO C[C@H](CNC(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1)Oc1ccc(Br)cc1 ZINC000570549961 564511868 /nfs/dbraw/zinc/51/18/68/564511868.db2.gz KOMNYFOHHUGGNS-WWGRRREGSA-N 1 0 382.302 2.610 20 0 GFADRO O[C@@H](C[NH2+][C@@H]1CCc2c1ccc(F)c2Br)COC1CCOCC1 ZINC000516762700 564511909 /nfs/dbraw/zinc/51/19/09/564511909.db2.gz KMZUNEKVIFQKCQ-MEDUHNTESA-N 1 0 388.277 2.722 20 0 GFADRO COc1ccc(S(=O)(=O)NC[C@@]2([NH+](C)C)CCSC2)c(Cl)c1Cl ZINC000481391869 564511981 /nfs/dbraw/zinc/51/19/81/564511981.db2.gz RFGWXIDSPIHEGK-AWEZNQCLSA-N 1 0 399.365 2.718 20 0 GFADRO COc1c[nH+]ccc1N1CCN(S(=O)(=O)c2cc(Cl)ccc2C)CC1 ZINC000481485610 564514010 /nfs/dbraw/zinc/51/40/10/564514010.db2.gz ZTPDZOODYRUOPN-UHFFFAOYSA-N 1 0 381.885 2.563 20 0 GFADRO C[NH+](C)[C@]1(CNC(=O)NCCOc2ccc(Cl)c(F)c2)CCSC1 ZINC000454611404 564515899 /nfs/dbraw/zinc/51/58/99/564515899.db2.gz REPFYCWBXUQGGT-INIZCTEOSA-N 1 0 375.897 2.594 20 0 GFADRO CCC[C@H]([NH2+]C(C)C)C(=O)N1CCN(c2ccc(Br)cn2)CC1 ZINC000481616967 564518100 /nfs/dbraw/zinc/51/81/00/564518100.db2.gz ZRDSAEIHFOZWKB-HNNXBMFYSA-N 1 0 383.334 2.659 20 0 GFADRO CC[C@@H]([NH2+]CCc1ncc(C)cn1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000481655790 564518831 /nfs/dbraw/zinc/51/88/31/564518831.db2.gz CVRZXRDWLRONSG-OAHLLOKOSA-N 1 0 382.917 2.630 20 0 GFADRO C[NH+](C)CCn1ccc(C(=O)NCCOCc2ccc(Cl)cc2Cl)n1 ZINC000516978429 564519653 /nfs/dbraw/zinc/51/96/53/564519653.db2.gz DCBXKULQTTZFQM-UHFFFAOYSA-N 1 0 385.295 2.698 20 0 GFADRO C[C@@H](CNC(=O)c1ccc(I)cn1)[N@@H+]1CCC[C@@H](C)C1 ZINC000454728925 564520269 /nfs/dbraw/zinc/52/02/69/564520269.db2.gz DCTHRQRCCPSDBJ-NEPJUHHUSA-N 1 0 387.265 2.536 20 0 GFADRO O=c1ccc(Br)cn1CC[NH2+]Cc1cccc2c1OCCCO2 ZINC000517010782 564520870 /nfs/dbraw/zinc/52/08/70/564520870.db2.gz IJXRKWLGRNWVRL-UHFFFAOYSA-N 1 0 379.254 2.562 20 0 GFADRO CCCNC(=O)NC(=O)C[NH2+][C@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000481769475 564523520 /nfs/dbraw/zinc/52/35/20/564523520.db2.gz TZUBIOHYSKWQGP-HNNXBMFYSA-N 1 0 386.265 2.865 20 0 GFADRO O=C(NCCCCn1cc(Br)cn1)NC1CC[NH+](C2CCC2)CC1 ZINC000454873115 564525314 /nfs/dbraw/zinc/52/53/14/564525314.db2.gz NLQYORZVGODBQN-UHFFFAOYSA-N 1 0 398.349 2.742 20 0 GFADRO C[C@@H]1C[C@H](C[NH3+])CN1S(=O)(=O)Cc1ccc(Cl)cc1Br ZINC000517235191 564527845 /nfs/dbraw/zinc/52/78/45/564527845.db2.gz FYZBPKJLYANVCG-NXEZZACHSA-N 1 0 381.723 2.601 20 0 GFADRO [NH3+]CCC1CCN(C(=O)C(=O)N[C@H]2CCSc3ccc(Cl)cc32)CC1 ZINC000570977156 564530445 /nfs/dbraw/zinc/53/04/45/564530445.db2.gz MTGFMXCKJPCOFS-HNNXBMFYSA-N 1 0 381.929 2.581 20 0 GFADRO CCC[N@H+](CC)C[C@@H](C)NS(=O)(=O)c1ccc(C(=O)OC)c(Cl)c1 ZINC000571008600 564531375 /nfs/dbraw/zinc/53/13/75/564531375.db2.gz AQKOFGXXILUTHN-GFCCVEGCSA-N 1 0 376.906 2.525 20 0 GFADRO O=C(N[C@H]1CC[N@@H+](C2CC2)C1)c1cnn(-c2cccc(Br)c2)c1 ZINC000517370098 564531910 /nfs/dbraw/zinc/53/19/10/564531910.db2.gz BBTFEYZQCIEHKI-AWEZNQCLSA-N 1 0 375.270 2.601 20 0 GFADRO Cc1cc(F)c(NC(=O)NC[C@H]2CC[N@@H+](C)C2)c(I)c1 ZINC000455083634 564535882 /nfs/dbraw/zinc/53/58/82/564535882.db2.gz UVUGEWGKDOVOMS-SNVBAGLBSA-N 1 0 391.228 2.812 20 0 GFADRO Cc1cc(C)c(C[NH2+]C[C@@H](O)COc2cc(F)cc(Br)c2)c(=O)[nH]1 ZINC000517489084 564535897 /nfs/dbraw/zinc/53/58/97/564535897.db2.gz CENJAFUCADNQGR-CQSZACIVSA-N 1 0 399.260 2.835 20 0 GFADRO CS(=O)(=O)N1CC[C@H]([NH2+][C@@H]2CCC[C@H]2c2ccc(C(F)(F)F)cc2)C1 ZINC000517574720 564536454 /nfs/dbraw/zinc/53/64/54/564536454.db2.gz FYMVEJWLNAYKQT-HRCADAONSA-N 1 0 376.444 2.965 20 0 GFADRO C[C@@H](CNC(=O)c1ccc(I)cn1)[NH+]1CCC(C)CC1 ZINC000455108463 564537022 /nfs/dbraw/zinc/53/70/22/564537022.db2.gz XODSHFBIAGNVHQ-LBPRGKRZSA-N 1 0 387.265 2.536 20 0 GFADRO CC[NH+]1CCN(CC(=O)N(C)Cc2ccc(Br)cc2Cl)CC1 ZINC000482400251 564542459 /nfs/dbraw/zinc/54/24/59/564542459.db2.gz FTZUDGCFQYAULI-UHFFFAOYSA-N 1 0 388.737 2.698 20 0 GFADRO CCc1noc(C2CCC([NH2+]CCn3cc(Br)ccc3=O)CC2)n1 ZINC000517852620 564543255 /nfs/dbraw/zinc/54/32/55/564543255.db2.gz JZUCPNSLCJPTGL-UHFFFAOYSA-N 1 0 395.301 2.872 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2CCc3cc(Br)ccc32)CC1 ZINC000571286089 564545076 /nfs/dbraw/zinc/54/50/76/564545076.db2.gz VEDRMOIDMZSGQN-KURKYZTESA-N 1 0 393.325 2.834 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+][C@@H]1CCCN(C)C1=O ZINC000482648721 564547215 /nfs/dbraw/zinc/54/72/15/564547215.db2.gz MATAQXBRMBKFCI-MRXNPFEDSA-N 1 0 377.286 2.654 20 0 GFADRO COCCN1CC[C@H]([NH2+]Cc2cn(-c3ccc(Br)cc3)nc2C)C1 ZINC000482688882 564548871 /nfs/dbraw/zinc/54/88/71/564548871.db2.gz FADYRPMOEKFKFP-KRWDZBQOSA-N 1 0 393.329 2.754 20 0 GFADRO COCCN1CC[C@@H]([NH2+]Cc2cn(-c3ccc(Br)cc3)nc2C)C1 ZINC000482689134 564549270 /nfs/dbraw/zinc/54/92/70/564549270.db2.gz FADYRPMOEKFKFP-QGZVFWFLSA-N 1 0 393.329 2.754 20 0 GFADRO CN(CCCN1CC[NH+](C)CC1)C(=O)[C@H]1C[C@@H]1c1ccc(Br)cc1 ZINC000518355690 564551306 /nfs/dbraw/zinc/55/13/06/564551306.db2.gz UNRXCADTUJBQAK-MSOLQXFVSA-N 1 0 394.357 2.649 20 0 GFADRO COc1cc(F)c(Br)cc1NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC000518396445 564552607 /nfs/dbraw/zinc/55/26/07/564552607.db2.gz DLISWUGERLCRMN-UHFFFAOYSA-N 1 0 385.237 2.607 20 0 GFADRO C[C@@H]1CN(CC[NH2+]Cc2nc(-c3cccc(Br)c3)c[nH]2)CCO1 ZINC000518453701 564554410 /nfs/dbraw/zinc/55/44/10/564554410.db2.gz WKLGPRZDDXCOIC-CYBMUJFWSA-N 1 0 379.302 2.650 20 0 GFADRO Cc1cc(NC(=O)NC[C@H]2CCCC[N@@H+]2CCO)c(F)cc1Br ZINC000455433974 564554385 /nfs/dbraw/zinc/55/43/85/564554385.db2.gz YUVDTOHTUQABMF-GFCCVEGCSA-N 1 0 388.281 2.865 20 0 GFADRO CC(=O)N[C@@H](CC(=O)NC[C@]1(C)CCC[NH2+]C1)c1ccc(Br)cc1 ZINC000571524041 564555483 /nfs/dbraw/zinc/55/54/83/564555483.db2.gz ZAVSHKADMBGOBB-FUHWJXTLSA-N 1 0 396.329 2.522 20 0 GFADRO O=C([C@@H]1C[N@@H+]2CCN1CCC2)N1CCC[C@H]1c1ccc(Br)cc1 ZINC000482998569 564556137 /nfs/dbraw/zinc/55/61/37/564556137.db2.gz WRBDCSLOPTVXSA-IRXDYDNUSA-N 1 0 378.314 2.503 20 0 GFADRO COc1cc(C(=O)NCCC2CC[NH+](C)CC2)cc(Br)c1OC ZINC000571542682 564556487 /nfs/dbraw/zinc/55/64/87/564556487.db2.gz VQRAPHXAKFLSIG-UHFFFAOYSA-N 1 0 385.302 2.928 20 0 GFADRO CN(C)CC[N@H+](C)CCCN(C)C(=O)c1c(F)ccc(Br)c1F ZINC000571563374 564556986 /nfs/dbraw/zinc/55/69/86/564556986.db2.gz DLYDDDBHCZKWPH-UHFFFAOYSA-N 1 0 392.288 2.683 20 0 GFADRO C[C@H]1[C@@H](NC(=O)Nc2ccn(-c3ccc(Br)cc3)n2)CCC[N@@H+]1C ZINC000455605312 564559959 /nfs/dbraw/zinc/55/99/59/564559959.db2.gz ALPURYZGWGLQBO-WFASDCNBSA-N 1 0 392.301 3.239 20 0 GFADRO C[C@H](CO)[N@@H+](CC(=O)N(C)Cc1cc(Br)cs1)CC1CCC1 ZINC000483159298 564560272 /nfs/dbraw/zinc/56/02/72/564560272.db2.gz RMMCEHMWZNVICP-GFCCVEGCSA-N 1 0 389.359 2.952 20 0 GFADRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)CNC(=O)c1ccc(Cl)c(Cl)c1 ZINC000518743401 564560591 /nfs/dbraw/zinc/56/05/91/564560591.db2.gz CRKIWCIOCVNZGV-MLGOLLRUSA-N 1 0 384.307 2.808 20 0 GFADRO OC[C@H]([NH2+]CCN1C[C@H]2CC[C@@H](C1)O2)c1ccc(Cl)cc1C(F)(F)F ZINC000483262670 564561566 /nfs/dbraw/zinc/56/15/66/564561566.db2.gz XADURGAUDXIQGY-ZENOOKHLSA-N 1 0 378.822 2.845 20 0 GFADRO CC[NH+]1CCN([C@@H](C)CNC(=O)[C@@H]2C[C@H]2c2cccc(Br)c2)CC1 ZINC000455646265 564563094 /nfs/dbraw/zinc/56/30/94/564563094.db2.gz XMFSBTWWPGRVBQ-JCGIZDLHSA-N 1 0 394.357 2.695 20 0 GFADRO Cc1ccc(Br)cc1CNC(=O)Nc1ccnn1CC[NH+](C)C ZINC000455658063 564564179 /nfs/dbraw/zinc/56/41/79/564564179.db2.gz NECKMOWYFYRYCV-UHFFFAOYSA-N 1 0 380.290 2.837 20 0 GFADRO Cc1ccc(F)c(Br)c1NC(=O)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000455691112 564564499 /nfs/dbraw/zinc/56/44/99/564564499.db2.gz GZQSJXMSJRDEGC-GFCCVEGCSA-N 1 0 388.281 2.865 20 0 GFADRO COC1CCC([NH2+]CCNS(=O)(=O)c2cccc(Cl)c2Cl)CC1 ZINC000571785624 564566172 /nfs/dbraw/zinc/56/61/72/564566172.db2.gz ZOUOMSYRDNMLCK-UHFFFAOYSA-N 1 0 381.325 2.819 20 0 GFADRO CC(C)[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)N1C[C@@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000518964094 564566352 /nfs/dbraw/zinc/56/63/52/564566352.db2.gz ZVXGQMNYOSXLOT-BRXULGCHSA-N 1 0 385.961 2.988 20 0 GFADRO Cc1ccc(Br)c(S(=O)(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000518978580 564566869 /nfs/dbraw/zinc/56/68/69/564566869.db2.gz ZRNRDMKKRSAZOZ-KBPBESRZSA-N 1 0 387.343 2.768 20 0 GFADRO Cc1[nH]c(=O)c(C(=O)N2CC[N@@H+]([C@@H]3C[C@H]3C)C[C@@H](C)C2)cc1Br ZINC000519014846 564567648 /nfs/dbraw/zinc/56/76/48/564567648.db2.gz QENVVYBZRPTLIG-UEKVPHQBSA-N 1 0 382.302 2.660 20 0 GFADRO Cc1cc2c(cc1C)[C@H]([NH2+]CCNS(=O)(=O)Cc1ccon1)CCS2 ZINC000548634205 564568390 /nfs/dbraw/zinc/56/83/90/564568390.db2.gz OFGBRXDFQCAPJC-MRXNPFEDSA-N 1 0 381.523 2.538 20 0 GFADRO C[C@@H](c1ccccc1Br)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000483488410 564569088 /nfs/dbraw/zinc/56/90/88/564569088.db2.gz YBHRDFXZDCZOAA-YOEHRIQHSA-N 1 0 380.330 2.749 20 0 GFADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(CCOc2cc(Cl)ccc2Cl)CC1 ZINC000483489133 564569479 /nfs/dbraw/zinc/56/94/79/564569479.db2.gz JYGRGTPPZRVURR-INIZCTEOSA-N 1 0 386.323 2.611 20 0 GFADRO C[C@@H](CNC(=O)c1ccc(I)c(F)c1)[N@H+](C)C1CC1 ZINC000519142350 564570275 /nfs/dbraw/zinc/57/02/75/564570275.db2.gz IKDUFFXWYRHAAI-VIFPVBQESA-N 1 0 376.213 2.643 20 0 GFADRO O=C(Cc1ccc(Br)cc1O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000548719495 564570862 /nfs/dbraw/zinc/57/08/62/564570862.db2.gz RZGLXAUNEKQDKH-UHFFFAOYSA-N 1 0 389.293 2.872 20 0 GFADRO C[N@H+](CCNC(=O)[C@@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1)C1CC1 ZINC000519187602 564571612 /nfs/dbraw/zinc/57/16/12/564571612.db2.gz WAZQLTJPHGFJRC-INIZCTEOSA-N 1 0 384.307 2.808 20 0 GFADRO C[C@H](C(=O)NC[C@@H](C)c1ccccc1)N(C)CCn1cc(Br)cn1 ZINC000519223401 564572351 /nfs/dbraw/zinc/57/23/51/564572351.db2.gz DMQRIZVJLOOQRZ-HUUCEWRRSA-N 1 0 393.329 2.886 20 0 GFADRO C[C@H](NC(=O)CN1CC[C@@]2(C1)CCC[NH2+]C2)c1ccc(Br)cc1 ZINC000571921294 564572410 /nfs/dbraw/zinc/57/24/10/564572410.db2.gz KJIYVDFBVMTVGB-KSSFIOAISA-N 1 0 380.330 2.702 20 0 GFADRO CO[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1ccc(I)cc1 ZINC000483691043 564572755 /nfs/dbraw/zinc/57/27/55/564572755.db2.gz IDTOLUUQBHWANP-ZIAGYGMSSA-N 1 0 388.249 2.777 20 0 GFADRO O[C@H](COC[C@@H]1CCCO1)C[N@H+](Cc1cccc(Br)c1)C1CC1 ZINC000519276068 564573210 /nfs/dbraw/zinc/57/32/10/564573210.db2.gz MZQXCRQPFXZKCP-ROUUACIJSA-N 1 0 384.314 2.970 20 0 GFADRO C[C@H](NC(=O)c1cn([C@H]2CCC[NH2+]C2)nn1)c1ccc(Br)s1 ZINC000571992334 564576101 /nfs/dbraw/zinc/57/61/01/564576101.db2.gz KITYTJFCKOJQTE-UWVGGRQHSA-N 1 0 384.303 2.518 20 0 GFADRO Cc1nc2cc(Cl)c(NC(=O)C(=O)NC[C@H](C3CC3)[NH+](C)C)cc2s1 ZINC000483879154 564576300 /nfs/dbraw/zinc/57/63/00/564576300.db2.gz JSOSEOHTWDLKQD-CQSZACIVSA-N 1 0 380.901 2.653 20 0 GFADRO C[C@H]1C[C@H](NC(=O)C(=O)Nc2cccc(Cl)c2Br)CC[N@@H+]1C ZINC000483891192 564577069 /nfs/dbraw/zinc/57/70/69/564577069.db2.gz AOEUVEKOIXEKAF-VHSXEESVSA-N 1 0 388.693 2.640 20 0 GFADRO CCC[NH+]1CCC(NC(=O)Nc2cc(N(C)C)c(Br)cn2)CC1 ZINC000455868852 564577714 /nfs/dbraw/zinc/57/77/14/564577714.db2.gz QPQQJQJTGISMCU-UHFFFAOYSA-N 1 0 384.322 2.906 20 0 GFADRO CC(C)[N@H+](C)CC1CCN(S(=O)(=O)c2c(F)c(F)cc(F)c2F)CC1 ZINC000548861975 564578776 /nfs/dbraw/zinc/57/87/76/564578776.db2.gz IGIFONMYLVRGES-UHFFFAOYSA-N 1 0 382.423 2.984 20 0 GFADRO OC[C@@H](C[NH2+]C[C@H](O)COc1ccccc1Cl)Cc1ccncc1Cl ZINC000572039230 564579069 /nfs/dbraw/zinc/57/90/69/564579069.db2.gz OIHAVTWLZMOUAI-HIFRSBDPSA-N 1 0 385.291 2.569 20 0 GFADRO C[C@H](NC(=O)NC[C@H](c1cccs1)[NH+](C)C)c1ncc(Br)cn1 ZINC000572096570 564580932 /nfs/dbraw/zinc/58/09/32/564580932.db2.gz HRQZNWJQEXHBCM-CMPLNLGQSA-N 1 0 398.330 2.964 20 0 GFADRO Brc1csc(-c2noc(-c3cn(C[C@@H]4CCC[NH2+]4)nn3)n2)c1 ZINC000519596610 564583372 /nfs/dbraw/zinc/58/33/72/564583372.db2.gz RMLUKYHWOTYUFF-VIFPVBQESA-N 1 0 381.259 2.571 20 0 GFADRO CC(C)[C@@H]([NH2+]Cc1cc(=O)n2cc(Br)ccc2n1)[C@@H](CO)C(C)C ZINC000519626073 564584043 /nfs/dbraw/zinc/58/40/43/564584043.db2.gz ZDVBZDGCYLKZMF-MAUKXSAKSA-N 1 0 396.329 2.836 20 0 GFADRO Cc1ccc(F)c(NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC3)C2)c1Br ZINC000484227071 564584070 /nfs/dbraw/zinc/58/40/70/564584070.db2.gz BDELBVAOOGQWTC-GFCCVEGCSA-N 1 0 398.276 2.530 20 0 GFADRO CC(C)(C)NS(=O)(=O)CC[NH2+][C@H]1CCc2ccc(Br)cc21 ZINC000549039197 564584224 /nfs/dbraw/zinc/58/42/24/564584224.db2.gz FMSQMCXJDSPWQF-AWEZNQCLSA-N 1 0 375.332 2.744 20 0 GFADRO CNS(=O)(=O)CCC[NH2+][C@@H]1CCN(C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000549036819 564584713 /nfs/dbraw/zinc/58/47/13/564584713.db2.gz SHPAXZVCGVULBR-SJORKVTESA-N 1 0 391.940 2.532 20 0 GFADRO CC(=O)NCC[N@H+](CCOCC(F)(F)C(F)(F)F)C1CCSCC1 ZINC000549080364 564585929 /nfs/dbraw/zinc/58/59/29/564585929.db2.gz SZVPLQXOZZWBLB-UHFFFAOYSA-N 1 0 378.407 2.534 20 0 GFADRO COCC[C@]1([NH2+]CC(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)CCOC1 ZINC000572231061 564586315 /nfs/dbraw/zinc/58/63/15/564586315.db2.gz IPBMFZUNNQQGPP-SJCJKPOMSA-N 1 0 375.296 2.956 20 0 GFADRO OCC[C@H](C[NH2+]C[C@H](O)COc1ccc(Br)cc1)c1ccccc1 ZINC000572243060 564586331 /nfs/dbraw/zinc/58/63/31/564586331.db2.gz KAWLEELTHUHTAB-AEFFLSMTSA-N 1 0 394.309 2.945 20 0 GFADRO OC[C@H](Cc1ccc(O)cc1)[NH2+]C[C@H](O)COc1c(Cl)cccc1Cl ZINC000572243411 564587075 /nfs/dbraw/zinc/58/70/75/564587075.db2.gz XVRSDNHPMLCRDW-ZFWWWQNUSA-N 1 0 386.275 2.632 20 0 GFADRO O=C(C[C@H]1CCC[NH2+]1)NCc1cc(Br)ccc1Br ZINC000519711298 564587941 /nfs/dbraw/zinc/58/79/41/564587941.db2.gz IXTBDTBGVDRGGW-LLVKDONJSA-N 1 0 376.092 2.970 20 0 GFADRO COc1ccc(Br)c([C@H](CO)N(C)C(=O)C[NH+]2[C@H](C)CC[C@H]2C)c1 ZINC000456102692 564588387 /nfs/dbraw/zinc/58/83/87/564588387.db2.gz GIAARIQFKRGZRS-XNJGSVPQSA-N 1 0 399.329 2.822 20 0 GFADRO COCC[NH2+]C1CCN(S(=O)(=O)c2csc3ccc(Cl)cc32)CC1 ZINC000572295909 564588589 /nfs/dbraw/zinc/58/85/89/564588589.db2.gz DXLWOKYNNGTVIY-UHFFFAOYSA-N 1 0 388.942 2.944 20 0 GFADRO COCC[C@@H](Cc1cccc(Br)c1)C(=O)NC[C@H](C)C[NH+](C)C ZINC000572370804 564591944 /nfs/dbraw/zinc/59/19/44/564591944.db2.gz ALZSBAAZZDSWAD-HOCLYGCPSA-N 1 0 385.346 2.958 20 0 GFADRO C[NH+](C)CCCC(C)(C)NC(=O)c1cc(Cn2cc(Br)cn2)on1 ZINC000456166134 564591936 /nfs/dbraw/zinc/59/19/36/564591936.db2.gz IQUKHNMBVATKSV-UHFFFAOYSA-N 1 0 398.305 2.532 20 0 GFADRO CC[NH+](CC)C[C@H](C)NC(=O)NC[C@@H](O)COc1cccc(Cl)c1Cl ZINC000519974375 564596352 /nfs/dbraw/zinc/59/63/52/564596352.db2.gz WGYISAYRKGMSRS-QWHCGFSZSA-N 1 0 392.327 2.763 20 0 GFADRO C[C@@]1(CNS(=O)(=O)Cc2ccc(Cl)cc2Br)CCC[NH2+]C1 ZINC000572522996 564598486 /nfs/dbraw/zinc/59/84/86/564598486.db2.gz RJBNLXMINJZAOB-CQSZACIVSA-N 1 0 395.750 2.912 20 0 GFADRO CC[C@@H](OC)C(=O)Nc1cc(Br)ccc1N1CC[N@H+](C)C[C@@H]1C ZINC000456361208 564602727 /nfs/dbraw/zinc/60/27/27/564602727.db2.gz CLJVYTYIVBPJFM-BLLLJJGKSA-N 1 0 384.318 2.953 20 0 GFADRO CC(=O)CCC(=O)Nc1cc(Br)ccc1N1CC[N@@H+](C)C[C@@H]1C ZINC000456364545 564602771 /nfs/dbraw/zinc/60/27/71/564602771.db2.gz GYEYTVWOCNFMTF-LBPRGKRZSA-N 1 0 382.302 2.897 20 0 GFADRO CN(CCCN1CC[NH+](C)CC1)C(=O)c1cc2c(cccc2Br)[nH]1 ZINC000520360490 564602855 /nfs/dbraw/zinc/60/28/55/564602855.db2.gz RUTNZNITQADMJV-UHFFFAOYSA-N 1 0 393.329 2.640 20 0 GFADRO O=C(C[C@H]1CSCC[NH2+]1)N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000520396817 564603506 /nfs/dbraw/zinc/60/35/06/564603506.db2.gz NCEPULGAKGPFGU-QWRGUYRKSA-N 1 0 379.473 2.963 20 0 GFADRO CC(C)[C@@H](O)C(=O)Nc1cc(Br)ccc1N1CC[N@H+](C)C[C@H]1C ZINC000456375498 564604015 /nfs/dbraw/zinc/60/40/15/564604015.db2.gz QTMAMRCRSFFWLM-MLGOLLRUSA-N 1 0 384.318 2.545 20 0 GFADRO CC(C)[C@H]([NH2+][C@H]1CCc2cccc(Br)c2C1)C(=O)N1CCOCC1 ZINC000549778829 564605153 /nfs/dbraw/zinc/60/51/53/564605153.db2.gz JCKABTOMUAQLFZ-YJBOKZPZSA-N 1 0 395.341 2.779 20 0 GFADRO C[C@H](NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cccc(Cl)c1Cl ZINC000549792420 564605759 /nfs/dbraw/zinc/60/57/59/564605759.db2.gz CZTHEEWARARSBY-XQQFMLRXSA-N 1 0 384.307 2.866 20 0 GFADRO C[N@H+](CC(=O)N[C@H]1CCN(c2ccc(Br)cc2)C1)[C@H]1CCSC1 ZINC000485146377 564608223 /nfs/dbraw/zinc/60/82/23/564608223.db2.gz PZROUNPSIXRSBU-HOCLYGCPSA-N 1 0 398.370 2.581 20 0 GFADRO C[C@H]1CCCN1C(=O)CC[N@H+](CCO)Cc1ccc(Br)s1 ZINC000485135859 564608335 /nfs/dbraw/zinc/60/83/35/564608335.db2.gz SYEJLGCHEVZLQT-LBPRGKRZSA-N 1 0 375.332 2.706 20 0 GFADRO C[N@@H+]1CC[C@H](C(=O)NCc2ccc(Cl)cc2I)C1 ZINC000520624790 564609077 /nfs/dbraw/zinc/60/90/77/564609077.db2.gz LQHVXXQYDWYHQL-JTQLQIEISA-N 1 0 378.641 2.513 20 0 GFADRO O=C(CNC(=O)c1ccc(Cl)cc1Cl)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000520790905 564612866 /nfs/dbraw/zinc/61/28/66/564612866.db2.gz KPBUMBMPNGYNDU-CQSZACIVSA-N 1 0 384.307 2.810 20 0 GFADRO Cc1nc(C[NH2+]C[C@H](O)COCc2cccs2)sc1Br ZINC000572870235 564613775 /nfs/dbraw/zinc/61/37/75/564613775.db2.gz HUSPIFZUUHBNHT-JTQLQIEISA-N 1 0 377.329 2.943 20 0 GFADRO O=S(=O)(c1csc(-c2ccccc2)n1)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000572859463 564613862 /nfs/dbraw/zinc/61/38/62/564613862.db2.gz FPZONGDEXNFAHK-CVEARBPZSA-N 1 0 377.535 2.963 20 0 GFADRO C[C@@H]([NH2+]C[C@H]1CCCCN1S(=O)(=O)N(C)C)c1ccc(F)cc1Cl ZINC000520881465 564615819 /nfs/dbraw/zinc/61/58/19/564615819.db2.gz PIEMHUBQVWYXIG-TZMCWYRMSA-N 1 0 377.913 2.791 20 0 GFADRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(=O)NCc2ccc(Cl)cc2Cl)C1 ZINC000572989332 564618489 /nfs/dbraw/zinc/61/84/89/564618489.db2.gz JAMBTXHFQRTLLJ-CYBMUJFWSA-N 1 0 386.323 2.704 20 0 GFADRO CCO[C@@H]1C[C@H]([NH2+]Cc2cc3c(cc2Br)OCO3)[C@@H]1n1cccn1 ZINC000550327287 564621063 /nfs/dbraw/zinc/62/10/63/564621063.db2.gz UMWHPWXJJRVVCR-XKQJLSEDSA-N 1 0 394.269 2.883 20 0 GFADRO O=C(Nc1nc(CC(F)(F)F)cs1)N1CC[NH+](C2CCOCC2)CC1 ZINC000521200736 564621554 /nfs/dbraw/zinc/62/15/54/564621554.db2.gz XNUIIURFXSHTFA-UHFFFAOYSA-N 1 0 378.420 2.576 20 0 GFADRO CC(C)[C@@H]([NH2+]Cc1cc(=O)n2cc(Br)ccc2n1)C1(CO)CCC1 ZINC000550453423 564624905 /nfs/dbraw/zinc/62/49/05/564624905.db2.gz WGWRURVFIIBRHJ-QGZVFWFLSA-N 1 0 394.313 2.734 20 0 GFADRO CCC[C@H](C(=O)NC[C@H](CO)Cc1cccc(Br)c1C)[NH+](C)C ZINC000456709906 564626359 /nfs/dbraw/zinc/62/63/59/564626359.db2.gz FVNZFKSMECTTEB-RHSMWYFYSA-N 1 0 385.346 2.755 20 0 GFADRO CC[C@@H]([NH2+]CCN1C(=O)NC(C)(C)C1=O)c1cc(F)cc(Br)c1 ZINC000485832819 564626960 /nfs/dbraw/zinc/62/69/60/564626960.db2.gz RTEAOKMANVZHQP-CYBMUJFWSA-N 1 0 386.265 2.959 20 0 GFADRO CC(C)(CNC(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1)c1ccc(Br)cc1 ZINC000485833909 564627273 /nfs/dbraw/zinc/62/72/73/564627273.db2.gz UVZFGZNDCNUARI-GFCCVEGCSA-N 1 0 391.313 2.957 20 0 GFADRO CC[N@H+](CC(=O)NC[C@@H](CO)Cc1cccc(Br)c1C)C1CC1 ZINC000456715100 564627835 /nfs/dbraw/zinc/62/78/35/564627835.db2.gz KBZROIUTBXXYBK-AWEZNQCLSA-N 1 0 383.330 2.509 20 0 GFADRO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NC[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000485859067 564628446 /nfs/dbraw/zinc/62/84/46/564628446.db2.gz LWJDHWDLYDGNAV-CKEIUWERSA-N 1 0 380.330 2.589 20 0 GFADRO C[C@@H]1CN(C[C@@H](O)C[NH2+]CCc2nc3cc(Cl)ccc3s2)C[C@H](C)O1 ZINC000521491380 564628516 /nfs/dbraw/zinc/62/85/16/564628516.db2.gz QXGQIHQNZNEYDP-GUTXKFCHSA-N 1 0 383.945 2.552 20 0 GFADRO CC(C)(C)Oc1nc(N2CC[NH+](C[C@@H]3CCOC3)CC2)ncc1Br ZINC000550786452 564630679 /nfs/dbraw/zinc/63/06/79/564630679.db2.gz GGGFWNDFECBUMR-ZDUSSCGKSA-N 1 0 399.333 2.575 20 0 GFADRO O[C@@H](C[NH2+]CCCCn1cc(Br)cn1)COc1ccc(F)cc1 ZINC000521614284 564631394 /nfs/dbraw/zinc/63/13/94/564631394.db2.gz GGNYEETWYNFWTB-HNNXBMFYSA-N 1 0 386.265 2.594 20 0 GFADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)c1cc2c(ccc(Cl)c2Cl)[nH]1 ZINC000521676666 564633849 /nfs/dbraw/zinc/63/38/49/564633849.db2.gz DDCMKVRRMVPOLY-AWEZNQCLSA-N 1 0 383.279 2.544 20 0 GFADRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNS(=O)(=O)c1ccccc1Br ZINC000521691865 564634027 /nfs/dbraw/zinc/63/40/27/564634027.db2.gz ZDZTXUXKFQTOJP-BETUJISGSA-N 1 0 375.332 2.990 20 0 GFADRO C[C@H]1CCC[C@H](C)[NH+]1CCNS(=O)(=O)c1ccccc1Br ZINC000521691867 564634118 /nfs/dbraw/zinc/63/41/18/564634118.db2.gz ZDZTXUXKFQTOJP-STQMWFEESA-N 1 0 375.332 2.990 20 0 GFADRO C[NH+](C)[C@H]1CCCN(Cc2cn(-c3ccccc3Br)nn2)CC1 ZINC000573375781 564634772 /nfs/dbraw/zinc/63/47/72/564634772.db2.gz UBGWZIURWWSUKA-HNNXBMFYSA-N 1 0 378.318 2.946 20 0 GFADRO CN(C(=O)c1ccn(-c2ccc(Br)cc2)n1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000551015061 564636355 /nfs/dbraw/zinc/63/63/55/564636355.db2.gz UNDMZXYPHUQCML-MRXNPFEDSA-N 1 0 389.297 2.944 20 0 GFADRO C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)N(C)Cc1c(Cl)cccc1Cl ZINC000551070002 564637218 /nfs/dbraw/zinc/63/72/18/564637218.db2.gz PVNJOKKDPIIKHI-CYBMUJFWSA-N 1 0 386.323 2.942 20 0 GFADRO CC[NH+]1CCN(CC(C)(C)NC(=O)Cc2ccc(C)c(Br)c2)CC1 ZINC000456888060 564637464 /nfs/dbraw/zinc/63/74/64/564637464.db2.gz WIMNBROQQVXFFW-UHFFFAOYSA-N 1 0 396.373 2.832 20 0 GFADRO O=S(=O)(CC[NH2+]CC1(CF)CCOCC1)c1cccc(Br)c1 ZINC000521864132 564637492 /nfs/dbraw/zinc/63/74/92/564637492.db2.gz QLLRFOHTFGAFNJ-UHFFFAOYSA-N 1 0 394.306 2.579 20 0 GFADRO O=C(NCCOc1ccc(Br)cc1)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000573428444 564637726 /nfs/dbraw/zinc/63/77/26/564637726.db2.gz IBGRCQHDGYFBGB-KCQAQPDRSA-N 1 0 382.302 2.515 20 0 GFADRO CC[NH+]1CCN(CC(C)(C)NC(=O)c2cc(OC)ccc2Br)CC1 ZINC000456897140 564637770 /nfs/dbraw/zinc/63/77/70/564637770.db2.gz JZOZDUDCMSLKQJ-UHFFFAOYSA-N 1 0 398.345 2.604 20 0 GFADRO CO[C@@H]1C[NH2+][C@@H](C(=O)Nc2nc(-c3ccc(Br)cc3)cs2)C1 ZINC000573441257 564638198 /nfs/dbraw/zinc/63/81/98/564638198.db2.gz JGEUXCAOVWWXMR-NWDGAFQWSA-N 1 0 382.283 2.888 20 0 GFADRO [NH3+]CCCOC1CCN([C@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)CC1 ZINC000573445083 564638484 /nfs/dbraw/zinc/63/84/84/564638484.db2.gz OUXSGLPQVQYIHA-KRWDZBQOSA-N 1 0 386.323 2.929 20 0 GFADRO COc1cc(C[NH2+]C[C@@H](O)COc2cc(F)cc(Br)c2)ccn1 ZINC000521996617 564641735 /nfs/dbraw/zinc/64/17/35/564641735.db2.gz YZRDPZNEWRBQGI-CQSZACIVSA-N 1 0 385.233 2.521 20 0 GFADRO Cc1ccc(C(=O)N(C)[C@@H]2C[NH+]3CCC2CC3)cc1I ZINC000522041497 564642755 /nfs/dbraw/zinc/64/27/55/564642755.db2.gz YAPVNOLTNVHECQ-OAHLLOKOSA-N 1 0 384.261 2.766 20 0 GFADRO O=S(=O)(CC[NH2+][C@@H]1CCC[C@@H]2OCC[C@@H]21)c1cccc(Br)c1 ZINC000573597823 564645056 /nfs/dbraw/zinc/64/50/56/564645056.db2.gz WHYBMSPOLVITNH-OAGGEKHMSA-N 1 0 388.327 2.770 20 0 GFADRO C[N@@H+]1CC[C@H](C(=O)NCC2(c3ccc(Br)cc3)CCOCC2)C1 ZINC000522144861 564645161 /nfs/dbraw/zinc/64/51/61/564645161.db2.gz SRKJGYZDQWOGLI-AWEZNQCLSA-N 1 0 381.314 2.565 20 0 GFADRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)[C@H](C)NC(=O)c2ccc(Br)cc2)C1 ZINC000457089973 564645858 /nfs/dbraw/zinc/64/58/58/564645858.db2.gz UJQYTKAABGYZJL-XJKSGUPXSA-N 1 0 396.329 2.509 20 0 GFADRO O=C(c1ccc(-n2cc(Br)cn2)cc1)N1CC[NH+](C2CCC2)CC1 ZINC000522203942 564646908 /nfs/dbraw/zinc/64/69/08/564646908.db2.gz QWEBLSGPRAHZAH-UHFFFAOYSA-N 1 0 389.297 2.945 20 0 GFADRO CSC1(CNC(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)CC[NH+](C)CC1 ZINC000573650823 564647931 /nfs/dbraw/zinc/64/79/31/564647931.db2.gz TWGNMNYDHNSEOL-UHFFFAOYSA-N 1 0 390.336 2.876 20 0 GFADRO Cc1cc(Br)c(C[NH2+][C@@H]2CCO[C@]3(CCS(=O)(=O)C3)C2)s1 ZINC000573675266 564649128 /nfs/dbraw/zinc/64/91/28/564649128.db2.gz GGEXMGFVBGHNRA-BXUZGUMPSA-N 1 0 394.356 2.645 20 0 GFADRO CC[NH+](CC)CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)NC1CC1 ZINC000522389729 564651124 /nfs/dbraw/zinc/65/11/24/564651124.db2.gz ISUOZMFIGWAGAM-UHFFFAOYSA-N 1 0 386.323 2.942 20 0 GFADRO C[C@H](CC[NH+](C)C)NC(=O)NC[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000522405172 564651323 /nfs/dbraw/zinc/65/13/23/564651323.db2.gz GWYWPQMSGNPZGJ-HUUCEWRRSA-N 1 0 397.361 2.915 20 0 GFADRO CC(C)[C@H](C[NH2+]Cc1cccc(I)c1)N1CCOCC1 ZINC000551573863 564655059 /nfs/dbraw/zinc/65/50/59/564655059.db2.gz GWPPFCIXFHRYTB-INIZCTEOSA-N 1 0 388.293 2.738 20 0 GFADRO Cc1ccc(CC(=O)Nc2ccc(N3CC[NH2+]CC3)cn2)cc1Br ZINC000573834068 564656365 /nfs/dbraw/zinc/65/63/65/564656365.db2.gz SKCAIGAHGVOXPS-UHFFFAOYSA-N 1 0 389.297 2.743 20 0 GFADRO O=C(CCOc1cccc(Cl)c1Cl)NCCC[NH+]1CCC(O)CC1 ZINC000522861044 564657357 /nfs/dbraw/zinc/65/73/57/564657357.db2.gz PTWROXJSVKNLBX-UHFFFAOYSA-N 1 0 375.296 2.725 20 0 GFADRO CCOC(=O)[C@H](Cc1cc(Cl)cc(Cl)c1)NC(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC000486611702 564658577 /nfs/dbraw/zinc/65/85/77/564658577.db2.gz RTGYYTSDGHPWLM-RLCCDNCMSA-N 1 0 387.307 2.782 20 0 GFADRO CN(C)CC[N@H+](C)CCCNC(=O)c1cc2cc(Br)ccc2o1 ZINC000573889805 564658597 /nfs/dbraw/zinc/65/85/97/564658597.db2.gz OXQSPPUTHNMZDA-UHFFFAOYSA-N 1 0 382.302 2.809 20 0 GFADRO C[C@@H]1[C@H]([NH3+])CCCN1C(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl ZINC000457358273 564658883 /nfs/dbraw/zinc/65/88/83/564658883.db2.gz NICNDNPNQJGPNS-LYRGGWFBSA-N 1 0 384.307 2.936 20 0 GFADRO Cc1cc(Br)c(C(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)s1 ZINC000457393910 564659696 /nfs/dbraw/zinc/65/96/96/564659696.db2.gz RXEMLPUTTYYGMI-GFCCVEGCSA-N 1 0 375.332 2.906 20 0 GFADRO O=C(c1n[nH]c2ccc(Br)cc21)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000573918106 564659712 /nfs/dbraw/zinc/65/97/12/564659712.db2.gz NNODPGLHQJWTGW-VXGBXAGGSA-N 1 0 377.286 2.787 20 0 GFADRO C[C@@H](NC(=O)NC[C@H]1CCCC[N@@H+]1CCO)c1ccc(Br)cc1 ZINC000457447408 564661261 /nfs/dbraw/zinc/66/12/61/564661261.db2.gz FJLSCLIGZFCOBO-CZUORRHYSA-N 1 0 384.318 2.656 20 0 GFADRO COc1ccc(Br)cc1CNC(=O)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000573966893 564662763 /nfs/dbraw/zinc/66/27/63/564662763.db2.gz OSKBJTSBTZMANO-INIZCTEOSA-N 1 0 375.266 2.788 20 0 GFADRO CSC[C@@H]([NH2+]CC1(O)CCS(=O)(=O)CC1)c1ccc(C(F)(F)F)cc1 ZINC000551811653 564664543 /nfs/dbraw/zinc/66/45/43/564664543.db2.gz NEJROTYRTZCTNL-CQSZACIVSA-N 1 0 397.484 2.639 20 0 GFADRO CCC[NH+]1CCN(C(=O)C[C@@H](NC(C)=O)c2ccc(Br)cc2)CC1 ZINC000486797844 564666696 /nfs/dbraw/zinc/66/66/96/564666696.db2.gz QTWMUKVSRSXUFC-QGZVFWFLSA-N 1 0 396.329 2.571 20 0 GFADRO C[NH+](C)CCN(CC(=O)OC(C)(C)C)C(=O)Cc1cccc(Br)c1 ZINC000523505632 564668242 /nfs/dbraw/zinc/66/82/42/564668242.db2.gz NGVDFUIKYPCMHW-UHFFFAOYSA-N 1 0 399.329 2.724 20 0 GFADRO C[C@@H](NC(=O)N[C@H]1CCC[N@H+](CCCO)C1)c1cccc(Br)c1 ZINC000457678656 564669277 /nfs/dbraw/zinc/66/92/77/564669277.db2.gz OPOWHWVJJWELAC-CJNGLKHVSA-N 1 0 384.318 2.656 20 0 GFADRO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CCN(CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000486905007 564669645 /nfs/dbraw/zinc/66/96/45/564669645.db2.gz BGOVRLMIUIVXMT-GDBMZVCRSA-N 1 0 384.351 2.878 20 0 GFADRO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCN(CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000486905011 564669660 /nfs/dbraw/zinc/66/96/60/564669660.db2.gz BGOVRLMIUIVXMT-HOCLYGCPSA-N 1 0 384.351 2.878 20 0 GFADRO COCC[C@@H](C)NC(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000523642631 564669839 /nfs/dbraw/zinc/66/98/39/564669839.db2.gz WAPRCVFFFVMQLP-CQSZACIVSA-N 1 0 386.334 2.947 20 0 GFADRO CC1CC[NH+](CCNC(=O)NCc2nc3c(cccc3Br)[nH]2)CC1 ZINC000457697990 564670399 /nfs/dbraw/zinc/67/03/99/564670399.db2.gz UXIXSNLACWTNAV-UHFFFAOYSA-N 1 0 394.317 2.857 20 0 GFADRO CN(C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1)C(=O)c1cc(Br)co1 ZINC000457729178 564671286 /nfs/dbraw/zinc/67/12/86/564671286.db2.gz DZZSUSVPARINOT-BLLLJJGKSA-N 1 0 395.301 2.931 20 0 GFADRO COc1c(Cl)cc(NC(=O)C(=O)NCC[N@@H+]2CCCC[C@@H]2C)cc1Cl ZINC000523917528 564674231 /nfs/dbraw/zinc/67/42/31/564674231.db2.gz VCNYGGIVXNPEGR-NSHDSACASA-N 1 0 388.295 2.931 20 0 GFADRO CCC[NH+]1CCC(CNC(=O)N[C@@H](C)c2ncc(Br)cn2)CC1 ZINC000574470779 564675676 /nfs/dbraw/zinc/67/56/76/564675676.db2.gz ZTWXSCWTNLSUNN-LBPRGKRZSA-N 1 0 384.322 2.721 20 0 GFADRO [NH3+]C[C@@H](NC(=O)c1ccc(S(=O)(=O)c2ccccc2)s1)C1CCCC1 ZINC000574511457 564677052 /nfs/dbraw/zinc/67/70/52/564677052.db2.gz UFOBOCCHNATBCL-OAHLLOKOSA-N 1 0 378.519 2.828 20 0 GFADRO Cn1ncc(Br)c1C[NH2+]C[C@H](CO)Cc1c(F)cccc1Cl ZINC000487307312 564682452 /nfs/dbraw/zinc/68/24/52/564682452.db2.gz IWEZPVXRQHXMJS-SNVBAGLBSA-N 1 0 390.684 2.916 20 0 GFADRO C[C@H]1CC[N@H+](CCNC(=O)[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C1 ZINC000524720024 564686698 /nfs/dbraw/zinc/68/66/98/564686698.db2.gz VCVHCSYINXGSDC-JSGCOSHPSA-N 1 0 384.307 2.804 20 0 GFADRO Cc1cc(Cl)ccc1S(=O)(=O)NCC[NH2+][C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000552335677 564687271 /nfs/dbraw/zinc/68/72/71/564687271.db2.gz ZTIYIYWXEYKSQB-UAGQMJEPSA-N 1 0 386.945 2.720 20 0 GFADRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)c1cccc(F)c1I ZINC000574749416 564687489 /nfs/dbraw/zinc/68/74/89/564687489.db2.gz DMUHTVBGNYMXEW-QWHCGFSZSA-N 1 0 388.224 2.787 20 0 GFADRO Cc1cc(Br)cc2c1CN(C(=O)c1cc([C@@H]3CC[NH2+]C3)n[nH]1)CC2 ZINC000574754223 564687693 /nfs/dbraw/zinc/68/76/93/564687693.db2.gz OUWOTHCQQZTDAH-CYBMUJFWSA-N 1 0 389.297 2.756 20 0 GFADRO O=C(CN1CCC(CO)([NH2+]CC2CC2)CC1)Nc1cc(Cl)ccc1Cl ZINC000574759420 564688396 /nfs/dbraw/zinc/68/83/96/564688396.db2.gz HSWMXIVASIGKEZ-UHFFFAOYSA-N 1 0 386.323 2.758 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2cc3c(cc2Cl)OCCO3)C[C@@H]1C ZINC000524872082 564689364 /nfs/dbraw/zinc/68/93/64/564689364.db2.gz OEYIWUXMWCOYEO-STQMWFEESA-N 1 0 388.917 2.605 20 0 GFADRO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCc1ccc(I)cc1Cl ZINC000487588160 564692343 /nfs/dbraw/zinc/69/23/43/564692343.db2.gz HNEHRKHPRWIPNA-CABZTGNLSA-N 1 0 392.668 2.759 20 0 GFADRO C[C@H]1C[C@@H](NC(=O)C2CCN(C(=O)c3ccc(Cl)s3)CC2)CC[N@@H+]1C ZINC000525102700 564693254 /nfs/dbraw/zinc/69/32/54/564693254.db2.gz WHLRFMQMGGIHJL-JSGCOSHPSA-N 1 0 383.945 2.853 20 0 GFADRO CCNC(=O)C(C)(C)[NH2+]Cc1ccc(I)c(Cl)c1 ZINC000459600071 564752511 /nfs/dbraw/zinc/75/25/11/564752511.db2.gz RYVUJDGHIHXSNE-UHFFFAOYSA-N 1 0 380.657 2.949 20 0 GFADRO CC[NH+](CC)[C@@H]1CCN(C(=O)c2cc(=O)c3cc(Br)ccc3[nH]2)C1 ZINC000525213712 564695918 /nfs/dbraw/zinc/69/59/18/564695918.db2.gz PRISADLRAIQEPE-CYBMUJFWSA-N 1 0 392.297 2.847 20 0 GFADRO C[C@H](CNC(=O)NC[C@H]1CCC[N@H+](C)C1)Oc1cccc(Br)c1 ZINC000525305445 564697957 /nfs/dbraw/zinc/69/79/57/564697957.db2.gz BDTUBIVKBLMTPU-ZIAGYGMSSA-N 1 0 384.318 2.857 20 0 GFADRO C[C@H](CNC(=O)NCc1nc2c(cccc2Br)[nH]1)[N@H+](C)C1CC1 ZINC000458301719 564698338 /nfs/dbraw/zinc/69/83/38/564698338.db2.gz YAUOJNSSHDIMCP-SNVBAGLBSA-N 1 0 380.290 2.607 20 0 GFADRO C[C@H](NC(=O)NCC1(O)CC[NH+](C)CC1)c1cc(F)c(Cl)cc1Cl ZINC000525447939 564701623 /nfs/dbraw/zinc/70/16/23/564701623.db2.gz GNYBBRDMLDZGNQ-JTQLQIEISA-N 1 0 378.275 2.949 20 0 GFADRO CC(C)C[C@H](CCO)C[NH2+]CCS(=O)(=O)c1cccc(Br)c1 ZINC000575743530 564703022 /nfs/dbraw/zinc/70/30/22/564703022.db2.gz XEUHQYMYKQYUGH-AWEZNQCLSA-N 1 0 392.359 2.857 20 0 GFADRO COC(=O)c1ccc(S(=O)(=O)NCC[NH+]2[C@@H](C)CCC[C@@H]2C)c(Cl)c1 ZINC000552883107 564703500 /nfs/dbraw/zinc/70/35/00/564703500.db2.gz PHJVOZAATLZZLJ-STQMWFEESA-N 1 0 388.917 2.668 20 0 GFADRO O=[S@](CC[N@@H+]1CC[C@@H](CN2CCOCC2)C1)c1cc(Cl)ccc1Cl ZINC000525637399 564704339 /nfs/dbraw/zinc/70/43/39/564704339.db2.gz LNNUVEHFIRSXCY-JBEBIEQOSA-N 1 0 391.364 2.755 20 0 GFADRO C[C@@H]([NH2+]C[C@H]1CS(=O)(=O)CCO1)c1ccc(SCC(F)(F)F)cc1 ZINC000552930071 564704316 /nfs/dbraw/zinc/70/43/16/564704316.db2.gz MIMUQBVSINQHBT-YPMHNXCESA-N 1 0 383.457 2.805 20 0 GFADRO C[C@H](O)C[C@@H]1CCCC[N@@H+]1C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000576189279 564706812 /nfs/dbraw/zinc/70/68/12/564706812.db2.gz WYSMRERVOIXJGY-RCBQFDQVSA-N 1 0 390.293 2.953 20 0 GFADRO C[C@@H](Cc1cc(Br)ccc1F)NC(=O)NCCc1cn(C)cn1 ZINC000458597011 564706974 /nfs/dbraw/zinc/70/69/74/564706974.db2.gz LABURIHEBODPNB-NSHDSACASA-N 1 0 383.265 2.795 20 0 GFADRO CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N(C)Cc1ccc(Cl)c(Cl)c1 ZINC000553021785 564707058 /nfs/dbraw/zinc/70/70/58/564707058.db2.gz BXEVPZHBSUGSGO-AWEZNQCLSA-N 1 0 386.323 2.942 20 0 GFADRO O=C([C@@H]1C[NH2+]Cc2ccccc21)N1CCC(n2cc(Br)cn2)CC1 ZINC000576224226 564708636 /nfs/dbraw/zinc/70/86/36/564708636.db2.gz FLHVVALTTXSXNV-QGZVFWFLSA-N 1 0 389.297 2.696 20 0 GFADRO C[S@](=O)Cc1ccc(C[NH2+]C[C@@H](O)COCc2ccccc2Cl)cc1 ZINC000576272908 564710792 /nfs/dbraw/zinc/71/07/92/564710792.db2.gz RIRJSXKFGZYBQC-CJAUYULYSA-N 1 0 381.925 2.886 20 0 GFADRO C[C@@H]1C[NH2+]CC[C@@H]1NS(=O)(=O)Cc1ccc(Cl)cc1Br ZINC000576279182 564711197 /nfs/dbraw/zinc/71/11/97/564711197.db2.gz LJAWZCOOYKMCMZ-RNCFNFMXSA-N 1 0 381.723 2.520 20 0 GFADRO C[C@]1(CNC(=O)Nc2ccnn2-c2ccc(Br)cn2)CCC[NH2+]C1 ZINC000576448913 564713667 /nfs/dbraw/zinc/71/36/67/564713667.db2.gz RUASGXNGMDCGAK-INIZCTEOSA-N 1 0 393.289 2.541 20 0 GFADRO O=C(CC[NH2+][C@@H]1CC(=O)N2CCCC[C@H]12)Nc1ccc(Br)cc1 ZINC000576511102 564714252 /nfs/dbraw/zinc/71/42/52/564714252.db2.gz FGZGLZQGLKBNHQ-HUUCEWRRSA-N 1 0 380.286 2.521 20 0 GFADRO Cc1cc(NC[C@@H]2CCN(S(=O)(=O)c3cccs3)C2)nc(C(C)C)n1 ZINC000553266755 564714232 /nfs/dbraw/zinc/71/42/32/564714232.db2.gz SQCVRSNNFCOZSA-AWEZNQCLSA-N 1 0 380.539 3.093 20 0 GFADRO CC[NH2+]CCCNC(=O)Nc1ccc(-c2ccc(Br)s2)nn1 ZINC000576490414 564714999 /nfs/dbraw/zinc/71/49/99/564714999.db2.gz AOIRPCPYOIBKIS-UHFFFAOYSA-N 1 0 384.303 3.089 20 0 GFADRO CC[C@H]1C[N@H+](C)CCN1C(=O)Nc1ccnn1-c1ccc(Br)cn1 ZINC000576678872 564717294 /nfs/dbraw/zinc/71/72/94/564717294.db2.gz PYTXXDALLTVYIV-ZDUSSCGKSA-N 1 0 393.289 2.588 20 0 GFADRO C[C@H](NC(=O)Nc1cccc2c1CC[NH2+]C2)c1ncc(Br)cn1 ZINC000576805770 564720085 /nfs/dbraw/zinc/72/00/85/564720085.db2.gz ISGSGAIGLLNYFS-JTQLQIEISA-N 1 0 376.258 2.768 20 0 GFADRO C[C@@H](NC(=O)N1CCO[C@@H](C[NH+](C)C)C1)c1ccc(F)c(Br)c1 ZINC000458845148 564720659 /nfs/dbraw/zinc/72/06/59/564720659.db2.gz ITPOTTGMPGFKQX-YPMHNXCESA-N 1 0 388.281 2.621 20 0 GFADRO CN(CC[N@H+](C)C1CCCCC1)S(=O)(=O)c1cccnc1C(F)(F)F ZINC000553463993 564721521 /nfs/dbraw/zinc/72/15/21/564721521.db2.gz ZFNBLLNBMJEMTK-UHFFFAOYSA-N 1 0 379.448 2.985 20 0 GFADRO CCC[NH+]1CCC(CNS(=O)(=O)Cc2cccc(Br)c2)CC1 ZINC000553480510 564722024 /nfs/dbraw/zinc/72/20/24/564722024.db2.gz WONUUDLRPYVIIT-UHFFFAOYSA-N 1 0 389.359 2.991 20 0 GFADRO CSc1ccc([C@@H](CNC(=O)N[C@H](CO)CC(F)(F)F)[NH+](C)C)cc1 ZINC000458879659 564722122 /nfs/dbraw/zinc/72/21/22/564722122.db2.gz CHNRIKOQFTYWIC-GXTWGEPZSA-N 1 0 379.448 2.624 20 0 GFADRO COc1cc(C[NH2+][C@@H](C)c2ccc(Br)cn2)ccc1OCC(N)=O ZINC000577002015 564722870 /nfs/dbraw/zinc/72/28/70/564722870.db2.gz LBEHGBOMMHCPCT-NSHDSACASA-N 1 0 394.269 2.568 20 0 GFADRO COc1cc(C[NH2+]C[C@@H](O)C(F)F)cc(Br)c1OC(F)F ZINC000553528782 564723840 /nfs/dbraw/zinc/72/38/40/564723840.db2.gz UJQQJCSEXZIWFM-MRVPVSSYSA-N 1 0 376.144 2.775 20 0 GFADRO COc1cc(F)c(Br)cc1S(=O)(=O)N(C)CC[C@H]([NH3+])C(C)C ZINC000577124596 564726545 /nfs/dbraw/zinc/72/65/45/564726545.db2.gz FXBSOSBNAYNPQU-LBPRGKRZSA-N 1 0 397.310 2.591 20 0 GFADRO C[NH+](C)CCCNS(=O)(=O)c1cc(Br)c(Cl)cc1Cl ZINC000489029152 564727065 /nfs/dbraw/zinc/72/70/65/564727065.db2.gz SWBWHQZAVJBWJN-UHFFFAOYSA-N 1 0 390.130 2.986 20 0 GFADRO CS(=O)(=O)N1CC[C@H]([NH2+][C@H]2CCCCc3ccc(Br)cc32)C1 ZINC000577184193 564728581 /nfs/dbraw/zinc/72/85/81/564728581.db2.gz LFMFOSPJHGCACS-HOCLYGCPSA-N 1 0 387.343 2.840 20 0 GFADRO Cc1ccc(C(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)cc1I ZINC000577215797 564730002 /nfs/dbraw/zinc/73/00/02/564730002.db2.gz QYTVUXVGCSDUDU-INIZCTEOSA-N 1 0 384.261 2.815 20 0 GFADRO COc1cc(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)cc(Br)c1OC ZINC000577234460 564731047 /nfs/dbraw/zinc/73/10/47/564731047.db2.gz NKHKKLPVZCKZRF-LLVKDONJSA-N 1 0 383.286 2.680 20 0 GFADRO OC[C@H]([NH2+]C[C@H](O)COc1cc(F)cc(Br)c1)C1CCCCC1 ZINC000527136013 564731989 /nfs/dbraw/zinc/73/19/89/564731989.db2.gz OYZYXYWWPBCQJJ-RDJZCZTQSA-N 1 0 390.293 2.859 20 0 GFADRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)Cc1cccc(I)c1 ZINC000553767821 564734854 /nfs/dbraw/zinc/73/48/54/564734854.db2.gz KSBYDIKIQFFFLG-BBRMVZONSA-N 1 0 398.288 2.919 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)NCc2cn3cc(Br)ccc3n2)C1 ZINC000489314244 564735345 /nfs/dbraw/zinc/73/53/45/564735345.db2.gz AWKAYWYAUNHORW-UKRRQHHQSA-N 1 0 394.317 2.769 20 0 GFADRO C[NH+](C)C1(CNS(=O)(=O)Cc2ccccc2Br)CCCC1 ZINC000553781383 564735963 /nfs/dbraw/zinc/73/59/63/564735963.db2.gz GHAAMRDMTKCTNJ-UHFFFAOYSA-N 1 0 375.332 2.743 20 0 GFADRO C[NH+]1CCC(C)(CNC(=O)NCc2nc3c(cccc3Br)[nH]2)CC1 ZINC000459219261 564735979 /nfs/dbraw/zinc/73/59/79/564735979.db2.gz RKZBEJOFIBSQCT-UHFFFAOYSA-N 1 0 394.317 2.857 20 0 GFADRO C[C@H]1C[C@H]1[N@@H+]1CCN(C(=O)c2cc(Br)cnc2N(C)C)C[C@@H](C)C1 ZINC000553781856 564736241 /nfs/dbraw/zinc/73/62/41/564736241.db2.gz GRJJHOCJMMKRKL-HEHGZKQESA-N 1 0 395.345 2.712 20 0 GFADRO CCC[N@@H+]1CCC[C@@H]1C(=O)NCc1noc(-c2cccc(Br)c2)n1 ZINC000527273621 564736664 /nfs/dbraw/zinc/73/66/64/564736664.db2.gz XBKMGNYNBLNMPZ-CQSZACIVSA-N 1 0 393.285 2.990 20 0 GFADRO Cc1nccc(NC(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)c1Br ZINC000577598901 564737157 /nfs/dbraw/zinc/73/71/57/564737157.db2.gz QJLBBCIOAVNKCI-CYBMUJFWSA-N 1 0 384.343 2.730 20 0 GFADRO C[C@H](CNC(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1)Oc1ccc(Br)cc1 ZINC000489393498 564739128 /nfs/dbraw/zinc/73/91/28/564739128.db2.gz CUOHVZFVDGEHCC-RDTXWAMCSA-N 1 0 396.329 2.954 20 0 GFADRO CSc1nnc(CNC(=O)[C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)s1 ZINC000527365130 564741456 /nfs/dbraw/zinc/74/14/56/564741456.db2.gz QSJBGAGQGJTOIZ-CYBMUJFWSA-N 1 0 380.514 2.928 20 0 GFADRO C[C@@H]1NC(=O)N(CC[NH2+][C@H](c2cc(F)cc(Br)c2)C2CC2)C1=O ZINC000459402954 564743835 /nfs/dbraw/zinc/74/38/35/564743835.db2.gz GFSDUZQFQRJGKD-XPTSAGLGSA-N 1 0 384.249 2.569 20 0 GFADRO CCOc1cc(C[NH2+]C[C@@H]2CN(C3CC3)CCO2)cc(Br)c1O ZINC000459403644 564743933 /nfs/dbraw/zinc/74/39/33/564743933.db2.gz LGHGBUJEABPTSC-CQSZACIVSA-N 1 0 385.302 2.506 20 0 GFADRO CCOCCOc1ccc(Br)cc1C[NH2+]CCc1cnccn1 ZINC000527528757 564744662 /nfs/dbraw/zinc/74/46/62/564744662.db2.gz XPIDVHDPVYPKML-UHFFFAOYSA-N 1 0 380.286 2.987 20 0 GFADRO CC(=O)NCC[C@H]1CCC[N@H+](C[C@@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000553960770 564746201 /nfs/dbraw/zinc/74/62/01/564746201.db2.gz KOLYMSNUXHWPER-GDBMZVCRSA-N 1 0 389.323 2.971 20 0 GFADRO C[C@H]1NC(=O)N(CC[N@@H+]2CCCC[C@@H]2Cc2ccccc2Br)C1=O ZINC000459492507 564747258 /nfs/dbraw/zinc/74/72/58/564747258.db2.gz WRXFOMSMQYXRDF-UKRRQHHQSA-N 1 0 394.313 2.786 20 0 GFADRO Cc1cc(CN2C(=O)N[C@]3(CCCC[C@@H]3C[NH3+])C2=O)ccc1Br ZINC000579349437 564747427 /nfs/dbraw/zinc/74/74/27/564747427.db2.gz KIFIKDWGGFAQRJ-DYVFJYSZSA-N 1 0 380.286 2.697 20 0 GFADRO O[C@H](C[NH2+]CCOc1ncccc1F)COc1c(Cl)cccc1Cl ZINC000579463499 564748474 /nfs/dbraw/zinc/74/84/74/564748474.db2.gz WHVHZDCTDFYFPZ-LLVKDONJSA-N 1 0 375.227 2.936 20 0 GFADRO CCn1ccnc1[C@@H](NCC[NH+](C)C)c1ccc(I)cc1 ZINC000554095611 564750511 /nfs/dbraw/zinc/75/05/11/564750511.db2.gz RIDNZBLXQRKXJJ-HNNXBMFYSA-N 1 0 398.292 2.748 20 0 GFADRO Cc1ccc(C[C@H](CO)C[NH2+]Cc2cn3cccnc3n2)cc1Br ZINC000459570971 564751557 /nfs/dbraw/zinc/75/15/57/564751557.db2.gz NIBIEYKEWYSLEY-HNNXBMFYSA-N 1 0 389.297 2.741 20 0 GFADRO OC[C@H](C[NH2+]Cc1cn2cccnc2n1)Cc1ccc(F)c(Br)c1 ZINC000459577421 564751579 /nfs/dbraw/zinc/75/15/79/564751579.db2.gz VSDAFHXUOLYYMY-ZDUSSCGKSA-N 1 0 393.260 2.572 20 0 GFADRO C[C@@H](C[NH2+]Cc1c[nH]nc1-c1ccc(Br)s1)CN1CCOCC1 ZINC000527666894 564753948 /nfs/dbraw/zinc/75/39/48/564753948.db2.gz XCYOFZYPHYANJA-LBPRGKRZSA-N 1 0 399.358 2.959 20 0 GFADRO O[C@@H]1C[C@H](CNCc2ncc(Br)cc2F)[N@H+](Cc2ccccc2)C1 ZINC000527682457 564755137 /nfs/dbraw/zinc/75/51/37/564755137.db2.gz DQHNCTNPYRFBFB-HZPDHXFCSA-N 1 0 394.288 2.708 20 0 GFADRO COc1ccc(CC[NH2+]Cc2c(F)ccc(F)c2Cl)cc1S(N)(=O)=O ZINC000527684422 564755427 /nfs/dbraw/zinc/75/54/27/564755427.db2.gz ALXNKFNPRUAGPM-UHFFFAOYSA-N 1 0 390.839 2.607 20 0 GFADRO CCC[N@H+](C)[C@@H](CNS(=O)(=O)c1cnn(C)c1C)c1ccc(Cl)cc1 ZINC000489871596 564756527 /nfs/dbraw/zinc/75/65/27/564756527.db2.gz BZXBLBLBWQYVAJ-INIZCTEOSA-N 1 0 384.933 2.743 20 0 GFADRO Cc1cc(Br)c(CNC[C@@]2(O)CC[N@@H+](C)C2)cc1Br ZINC000527694105 564756638 /nfs/dbraw/zinc/75/66/38/564756638.db2.gz UWUJGGDHNFWXIO-AWEZNQCLSA-N 1 0 392.135 2.676 20 0 GFADRO O[C@H](C[NH2+]Cc1ccc(-c2ccc(Br)cc2)s1)Cn1ccnn1 ZINC000459689358 564756769 /nfs/dbraw/zinc/75/67/69/564756769.db2.gz DIKNRURVMGXLFJ-CQSZACIVSA-N 1 0 393.310 2.920 20 0 GFADRO Cc1nn(C)c(N2CCOCC2)c1C[NH2+]Cc1ccc(Br)c(C)c1 ZINC000459674577 564756809 /nfs/dbraw/zinc/75/68/09/564756809.db2.gz ZKUWHWOPGUSFLY-UHFFFAOYSA-N 1 0 393.329 2.926 20 0 GFADRO O=C(NC[C@H]1CCC[NH2+]C1)N1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000580412935 564757564 /nfs/dbraw/zinc/75/75/64/564757564.db2.gz IFWPRXDGIISFEY-XJKSGUPXSA-N 1 0 382.302 2.532 20 0 GFADRO NC(=O)c1ccc(C[NH2+]C[C@H](CO)Cc2cc(F)cc(Br)c2)cc1 ZINC000459701877 564757868 /nfs/dbraw/zinc/75/78/68/564757868.db2.gz NQMPTWSPWQFUHS-CQSZACIVSA-N 1 0 395.272 2.628 20 0 GFADRO O=C(C[NH2+]C1(CO)CCSCC1)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000459704913 564757997 /nfs/dbraw/zinc/75/79/97/564757997.db2.gz UADJQTSYCFOTOF-UHFFFAOYSA-N 1 0 381.498 2.735 20 0 GFADRO O[C@H](COc1ccc(Br)cc1)C[N@@H+]1CC2(CCC2)[C@H]2COC[C@H]21 ZINC000459701266 564758008 /nfs/dbraw/zinc/75/80/08/564758008.db2.gz GEBKAJKWEKALGM-BHYGNILZSA-N 1 0 382.298 2.690 20 0 GFADRO Brc1cccc2c1CC[C@H]2[NH2+]CC1(N2CCOCC2)CCOCC1 ZINC000459719624 564758943 /nfs/dbraw/zinc/75/89/43/564758943.db2.gz UEWRQRHCGVGGFW-GOSISDBHSA-N 1 0 395.341 2.907 20 0 GFADRO OCC1([NH2+]Cc2cnn(-c3ccc(Br)cc3)c2)CCSCC1 ZINC000459732153 564760054 /nfs/dbraw/zinc/76/00/54/564760054.db2.gz RBCZTDWHQNKSJN-UHFFFAOYSA-N 1 0 382.327 2.983 20 0 GFADRO CC1(C)CC[N@H+](CC(=O)NCCC(=O)Nc2ccc(Br)cc2)C1 ZINC000580463754 564760131 /nfs/dbraw/zinc/76/01/31/564760131.db2.gz YPLHMOREKMMYKK-UHFFFAOYSA-N 1 0 382.302 2.626 20 0 GFADRO CO[C@@H]1C[C@H]([NH2+]C[C@H](O)COc2cc(F)cc(Br)c2)C12CCC2 ZINC000459772145 564760798 /nfs/dbraw/zinc/76/07/98/564760798.db2.gz SAFAAIDNKZYDRC-CWRNSKLLSA-N 1 0 388.277 2.875 20 0 GFADRO O=S(=O)(c1ccc(Cl)c(Br)c1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000490063602 564761060 /nfs/dbraw/zinc/76/10/60/564761060.db2.gz XIVOHNOTDUJGAC-AWEZNQCLSA-N 1 0 393.734 2.867 20 0 GFADRO O=C(c1ccc(-n2cc(Br)cn2)cc1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000580542262 564763351 /nfs/dbraw/zinc/76/33/51/564763351.db2.gz KSRADQVYBWOIOS-CABCVRRESA-N 1 0 375.270 2.601 20 0 GFADRO CC(C)(C)n1cc(CNc2cc(N3CCOCC3)c(Br)c[nH+]2)cn1 ZINC000580618656 564766685 /nfs/dbraw/zinc/76/66/85/564766685.db2.gz LOFIQTKELPVUKQ-UHFFFAOYSA-N 1 0 394.317 3.244 20 0 GFADRO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]CCc1nn(C)c2ccccc12 ZINC000580628719 564766795 /nfs/dbraw/zinc/76/67/95/564766795.db2.gz FPLKHCNLQAMODB-ZDUSSCGKSA-N 1 0 389.297 2.718 20 0 GFADRO COc1cc(Cl)c(S(=O)(=O)N2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1OC ZINC000580633410 564767606 /nfs/dbraw/zinc/76/76/06/564767606.db2.gz HKJPFLGWZVNCBC-UONOGXRCSA-N 1 0 388.917 2.652 20 0 GFADRO COc1cc(Cl)c(S(=O)(=O)N2CCCC[C@H]2[C@@H]2CCC[NH2+]2)cc1OC ZINC000580633408 564767630 /nfs/dbraw/zinc/76/76/30/564767630.db2.gz HKJPFLGWZVNCBC-KBPBESRZSA-N 1 0 388.917 2.652 20 0 GFADRO O=S(=O)(Cc1cc(Cl)ccc1Br)N[C@@H]1CC[NH2+]C12CCC2 ZINC000528046831 564768410 /nfs/dbraw/zinc/76/84/10/564768410.db2.gz AUUISSSECJWBRN-CYBMUJFWSA-N 1 0 393.734 2.807 20 0 GFADRO C[NH+](C)CCn1nccc1NC(=O)C1=Cc2cc(Br)ccc2OC1 ZINC000554631853 564768709 /nfs/dbraw/zinc/76/87/09/564768709.db2.gz GTIOFRTXCQGJNA-UHFFFAOYSA-N 1 0 391.269 2.622 20 0 GFADRO C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)N1CCCC1 ZINC000460055473 564768973 /nfs/dbraw/zinc/76/89/73/564768973.db2.gz DXKSQXHGKRDWPA-UHFFFAOYSA-N 1 0 386.323 2.896 20 0 GFADRO C[C@@]1(CNC(=O)N[C@@H]2CCN(c3ccccc3Br)C2)CCC[NH2+]C1 ZINC000580703952 564770179 /nfs/dbraw/zinc/77/01/79/564770179.db2.gz WLBWUEKYRREZET-RDTXWAMCSA-N 1 0 395.345 2.717 20 0 GFADRO C[NH+]1CCN(c2cccc(-c3noc([C@H]4C[C@]4(C)Br)n3)n2)CC1 ZINC000528146133 564771732 /nfs/dbraw/zinc/77/17/32/564771732.db2.gz GKJSBVDFVHTJSS-BZNIZROVSA-N 1 0 378.274 2.524 20 0 GFADRO CN1CCN(c2cc[nH+]cc2NC(=O)c2cc(O)cc(Br)c2)CC1 ZINC000528151780 564771782 /nfs/dbraw/zinc/77/17/82/564771782.db2.gz VPJXYHVWDNFMDL-UHFFFAOYSA-N 1 0 391.269 2.554 20 0 GFADRO CC[C@H]([NH2+]C[C@H]1CCCCN1S(=O)(=O)N(C)C)c1cc(F)ccc1F ZINC000554740097 564772027 /nfs/dbraw/zinc/77/20/27/564772027.db2.gz AJKMFBHULHVUCS-PBHICJAKSA-N 1 0 375.485 2.666 20 0 GFADRO COC(=O)CCN1CCN(C(=O)c2c(C)ccc(Br)c2C)C[C@@H]1C ZINC000580765173 564772922 /nfs/dbraw/zinc/77/29/22/564772922.db2.gz RWNXABGMUCCUAR-ZDUSSCGKSA-N 1 0 397.313 2.775 20 0 GFADRO COCC[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2c2csc(Br)c2)CC1 ZINC000528206374 564773322 /nfs/dbraw/zinc/77/33/22/564773322.db2.gz POJMLWDJOULMAI-UONOGXRCSA-N 1 0 387.343 2.841 20 0 GFADRO COCC[N@H+](C)CCCNC(=O)Nc1cc(F)cc(Br)c1F ZINC000490506101 564774129 /nfs/dbraw/zinc/77/41/29/564774129.db2.gz VHBSBLCVZBTSOJ-UHFFFAOYSA-N 1 0 380.233 2.817 20 0 GFADRO C[C@H]1C[C@@H](NC(=O)N2CCOc3ccc(Br)cc3C2)CC[N@@H+]1C ZINC000554901047 564776778 /nfs/dbraw/zinc/77/67/78/564776778.db2.gz JLSVPIXTQULIGZ-WFASDCNBSA-N 1 0 382.302 2.836 20 0 GFADRO C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CC=C(c2ccc(Cl)c(Cl)c2)CC1 ZINC000580952714 564780874 /nfs/dbraw/zinc/78/08/74/564780874.db2.gz QNHXNNNIZRUILL-NEPJUHHUSA-N 1 0 384.307 2.851 20 0 GFADRO CO[C@@H]1CCN(C(=O)c2cc(C)nc3ccc(Br)cc32)[C@@H](C[NH3+])C1 ZINC000580956600 564780991 /nfs/dbraw/zinc/78/09/91/564780991.db2.gz CBTVDWGOYIYVBX-ZIAGYGMSSA-N 1 0 392.297 2.884 20 0 GFADRO [NH3+]C[C@@H]1c2ccccc2CCN1C(=O)COc1ccccc1Br ZINC000580953491 564781108 /nfs/dbraw/zinc/78/11/08/564781108.db2.gz KYLWSVWNFNGPPB-MRXNPFEDSA-N 1 0 375.266 2.913 20 0 GFADRO CS(=O)(=O)C1(C[NH2+]C[C@H](O)COc2ccc(Cl)cc2Cl)CCCC1 ZINC000580948379 564781601 /nfs/dbraw/zinc/78/16/01/564781601.db2.gz WPQQOKOPWKXTFN-ZDUSSCGKSA-N 1 0 396.336 2.680 20 0 GFADRO CSC1(CNC(=O)CCOCC(F)(F)C(F)(F)F)CC[NH+](C)CC1 ZINC000580984811 564781993 /nfs/dbraw/zinc/78/19/93/564781993.db2.gz IQWWWTKBOWWYTN-UHFFFAOYSA-N 1 0 378.407 2.534 20 0 GFADRO C[N@H+](Cc1ccc(Br)c(F)c1F)C1CCN(S(C)(=O)=O)CC1 ZINC000528406548 564782877 /nfs/dbraw/zinc/78/28/77/564782877.db2.gz WFWSNMFLYVDIIO-UHFFFAOYSA-N 1 0 397.285 2.583 20 0 GFADRO CC[NH+]1CCC(CNC(=O)NCc2ccc(OC)c(Br)c2)CC1 ZINC000581024562 564785216 /nfs/dbraw/zinc/78/52/16/564785216.db2.gz PFXKRMSOWKNOBV-UHFFFAOYSA-N 1 0 384.318 2.989 20 0 GFADRO CC(C)[N@H+](C)C[C@H](C)NC(=O)N[C@H](CO)c1ccc(Br)c(F)c1 ZINC000491067171 564785382 /nfs/dbraw/zinc/78/53/82/564785382.db2.gz JXMHFXMYPDEAFN-XHDPSFHLSA-N 1 0 390.297 2.650 20 0 GFADRO C[C@@H](Nc1cnn(-c2ccccn2)c(=O)c1Br)C(C)(C)C[NH+](C)C ZINC000555164446 564785630 /nfs/dbraw/zinc/78/56/30/564785630.db2.gz WAFVBSJNPXOGDO-GFCCVEGCSA-N 1 0 394.317 2.778 20 0 GFADRO O[C@H](C[NH+]1CCC(Oc2cccc(Br)c2)CC1)CC1(O)CCC1 ZINC000528452259 564786273 /nfs/dbraw/zinc/78/62/73/564786273.db2.gz VPKIVODNBOWFDZ-HNNXBMFYSA-N 1 0 384.314 2.958 20 0 GFADRO CCc1ncc(S(=O)(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)s1 ZINC000460963825 564786376 /nfs/dbraw/zinc/78/63/76/564786376.db2.gz ZYZCINMVOFKFMA-INIZCTEOSA-N 1 0 379.551 2.548 20 0 GFADRO Cc1cccc(S(=O)(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)c1Br ZINC000555405721 564792649 /nfs/dbraw/zinc/79/26/49/564792649.db2.gz QYHHMDCACIAEIO-MRXNPFEDSA-N 1 0 387.343 2.864 20 0 GFADRO COC(=O)c1cc(NC(=O)N2C[C@H](SC)[C@@H]([NH+](C)C)C2)cc(Cl)c1F ZINC000555476483 564795178 /nfs/dbraw/zinc/79/51/78/564795178.db2.gz AKOQVFFOKIZHAP-STQMWFEESA-N 1 0 389.880 2.775 20 0 GFADRO CC(C)[N@H+](C)CC(=O)N1CCN([C@H](C)c2ccc(Br)cc2)CC1 ZINC000461425130 564796786 /nfs/dbraw/zinc/79/67/86/564796786.db2.gz MJLYSMSYJXLSKM-OAHLLOKOSA-N 1 0 382.346 2.995 20 0 GFADRO C[N@@H+]1CCC[C@@]2(CCN([C@@H](C(N)=O)c3ccc(Br)cc3F)C2)C1 ZINC000555597546 564798869 /nfs/dbraw/zinc/79/88/69/564798869.db2.gz JVPRWBSQRMYCSP-NVXWUHKLSA-N 1 0 384.293 2.532 20 0 GFADRO CCOc1cc(Br)c(F)cc1NC(=O)NC1(C[NH3+])CCOCC1 ZINC000528692369 564800245 /nfs/dbraw/zinc/80/02/45/564800245.db2.gz NBTQDLOKCVLKGB-UHFFFAOYSA-N 1 0 390.253 2.616 20 0 GFADRO CC(C)[C@@H]1C[NH2+]CCN1C(=O)Nc1cccc(F)c1I ZINC000528687173 564800956 /nfs/dbraw/zinc/80/09/56/564800956.db2.gz PEHUSRDDSDXPSU-LBPRGKRZSA-N 1 0 391.228 2.892 20 0 GFADRO CC(C)[C@@H]1C[NH2+]CCN1C(=O)Nc1ccc(I)cc1F ZINC000528697297 564801883 /nfs/dbraw/zinc/80/18/83/564801883.db2.gz MFNSJGZZKISQST-ZDUSSCGKSA-N 1 0 391.228 2.892 20 0 GFADRO C[C@@H](NC(=O)C(=O)NCC[N@H+](C)C1CC1)c1cc(F)c(Cl)cc1Cl ZINC000555695745 564802454 /nfs/dbraw/zinc/80/24/54/564802454.db2.gz IJDNNQCRIXNUSR-SECBINFHSA-N 1 0 376.259 2.520 20 0 GFADRO O=S(=O)(c1cc(C(F)(F)F)ccc1F)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000581428830 564802568 /nfs/dbraw/zinc/80/25/68/564802568.db2.gz GRMAKVDFGBVSTK-LBPRGKRZSA-N 1 0 380.407 2.855 20 0 GFADRO C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[NH2+]CC(=O)Nc1ccc(I)cc1 ZINC000528754419 564803454 /nfs/dbraw/zinc/80/34/54/564803454.db2.gz DGHZOYMEDJXWAI-JNIYBQFBSA-N 1 0 388.249 2.631 20 0 GFADRO O=S(=O)(N[C@@H]1C[C@H]1C1CC[NH2+]CC1)c1cc(Cl)ccc1Br ZINC000461901131 564807675 /nfs/dbraw/zinc/80/76/75/564807675.db2.gz UVBNCTMEXVNJLG-WCQYABFASA-N 1 0 393.734 2.769 20 0 GFADRO CN(C)C(=O)CC(=O)N(CC[NH+]1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC000461974470 564810059 /nfs/dbraw/zinc/81/00/59/564810059.db2.gz PCSNHFHFNCPROR-UHFFFAOYSA-N 1 0 386.323 2.896 20 0 GFADRO CCC[N@H+](CC)C[C@@H](C)NC(=O)C(=O)N1CCc2ccc(Br)cc21 ZINC000581638243 564810836 /nfs/dbraw/zinc/81/08/36/564810836.db2.gz KEZRMXSVGDKLCT-CYBMUJFWSA-N 1 0 396.329 2.575 20 0 GFADRO CN1CCN(C(=O)CC[N@H+]2CC=C(c3cccc(Br)c3)CC2)CC1 ZINC000581619681 564811061 /nfs/dbraw/zinc/81/10/61/564811061.db2.gz HTKNBTVCTROIJP-UHFFFAOYSA-N 1 0 392.341 2.702 20 0 GFADRO C[C@H](CC(=O)Nc1ccn(CC[NH+](C)C)n1)c1ccc(F)c(Br)c1 ZINC000462029417 564811959 /nfs/dbraw/zinc/81/19/59/564811959.db2.gz CIZRKQYGVPFMTO-GFCCVEGCSA-N 1 0 397.292 3.479 20 0 GFADRO COc1cc(Cl)c(S(=O)(=O)NCC[NH+]2[C@H](C)CCC[C@H]2C)cc1OC ZINC000556092205 564812269 /nfs/dbraw/zinc/81/22/69/564812269.db2.gz ZDUMMOCEJLUGTI-CHWSQXEVSA-N 1 0 390.933 2.898 20 0 GFADRO COCC[N@H+](C)CCNC(=O)C[C@H](C)c1ccc(F)c(Br)c1 ZINC000462039146 564812355 /nfs/dbraw/zinc/81/23/55/564812355.db2.gz YDRGZQVZZGEBFT-LBPRGKRZSA-N 1 0 375.282 2.776 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S(=O)(=O)CC[NH2+][C@H]1C[C@]1(C)C(C)C ZINC000581662383 564812827 /nfs/dbraw/zinc/81/28/27/564812827.db2.gz HPPUTCIMDNCSLN-ZWKOTPCHSA-N 1 0 387.567 2.668 20 0 GFADRO C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)NCCc1c(Cl)cccc1Cl ZINC000556109893 564813521 /nfs/dbraw/zinc/81/35/21/564813521.db2.gz FUEASUJHSWCULT-CYBMUJFWSA-N 1 0 386.323 2.643 20 0 GFADRO CS(=O)(=O)[C@H]1CCC[C@H]([NH2+]CCCOc2ccc(C(F)(F)F)cn2)C1 ZINC000556240929 564816031 /nfs/dbraw/zinc/81/60/31/564816031.db2.gz HKGJTDFNMKGDFY-KBPBESRZSA-N 1 0 380.432 2.815 20 0 GFADRO CN(CCC[NH3+])C(=O)NCCSCCOc1cccc(Br)c1 ZINC000581776790 564817950 /nfs/dbraw/zinc/81/79/50/564817950.db2.gz QENRUXPFQHYCAQ-UHFFFAOYSA-N 1 0 390.347 2.551 20 0 GFADRO CC[NH+]1CCN([C@H](C)CNc2cc(C(F)(F)F)c(Br)cn2)CC1 ZINC000581817726 564819126 /nfs/dbraw/zinc/81/91/26/564819126.db2.gz SPYNZGYBFQWKLC-LLVKDONJSA-N 1 0 395.267 2.723 20 0 GFADRO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)C[NH2+][C@@]1(C)CCO[C@H]1C ZINC000494256777 564820843 /nfs/dbraw/zinc/82/08/43/564820843.db2.gz LSXCOTIPJJCNBJ-FVMDXXJSSA-N 1 0 375.252 2.876 20 0 GFADRO CCS(=O)(=O)NCCC[N@H+](C)Cc1cc(Br)ccc1Cl ZINC000494267951 564821239 /nfs/dbraw/zinc/82/12/39/564821239.db2.gz KRCVUWCHIVPIGB-UHFFFAOYSA-N 1 0 383.739 2.864 20 0 GFADRO C[NH+](C)C1CN(C(=O)Nc2cc(Br)cc(Br)c2)C1 ZINC000529166953 564823330 /nfs/dbraw/zinc/82/33/30/564823330.db2.gz OXCKCOBFZVDQOH-UHFFFAOYSA-N 1 0 377.080 2.989 20 0 GFADRO CN(CCOc1ccc(Br)cc1)C(=O)COC1CCC([NH3+])CC1 ZINC000581940305 564823818 /nfs/dbraw/zinc/82/38/18/564823818.db2.gz FCLZMVUDWGZJKA-UHFFFAOYSA-N 1 0 385.302 2.573 20 0 GFADRO Cc1nc(C(F)(F)F)sc1C(=O)N(C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000462175485 564825931 /nfs/dbraw/zinc/82/59/31/564825931.db2.gz KETLITALAICEEZ-SNVBAGLBSA-N 1 0 379.448 2.635 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)C(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000556488913 564828190 /nfs/dbraw/zinc/82/81/90/564828190.db2.gz JCGJWRULAZEUSB-GOSISDBHSA-N 1 0 394.313 2.504 20 0 GFADRO O=C(N[C@@H]1CC[NH2+]C12CCC2)N[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000529326490 564829185 /nfs/dbraw/zinc/82/91/85/564829185.db2.gz XEJVPNMCHVMRFB-GOEBONIOSA-N 1 0 393.329 2.612 20 0 GFADRO C[C@H]([NH2+][C@H](c1cncc(Br)c1)C1CC1)C(=O)NC[C@H]1CCCO1 ZINC000556515078 564829296 /nfs/dbraw/zinc/82/92/96/564829296.db2.gz NXTVZEIBBOAYOS-XZJROXQQSA-N 1 0 382.302 2.569 20 0 GFADRO CCC[NH+]1CCC(CNS(=O)(=O)c2ccc(Br)c(F)c2)CC1 ZINC000462263386 564830054 /nfs/dbraw/zinc/83/00/54/564830054.db2.gz OLXOLIMSEIUOGL-UHFFFAOYSA-N 1 0 393.322 2.989 20 0 GFADRO C[C@H]1CN(C2CC2)C[C@H]1[NH2+]Cc1cc(C(F)(F)F)cc(S(C)(=O)=O)c1 ZINC000556575201 564830911 /nfs/dbraw/zinc/83/09/11/564830911.db2.gz ZEFCYFULSIXXBI-MEDUHNTESA-N 1 0 376.444 2.681 20 0 GFADRO CC1(C)CC[C@H]1[NH2+]C[C@H](O)COc1ccc(I)cc1 ZINC000556584027 564831427 /nfs/dbraw/zinc/83/14/27/564831427.db2.gz NQQHBAUHKRIUQW-GXTWGEPZSA-N 1 0 375.250 2.809 20 0 GFADRO [NH3+]CC[C@H]1CCCN(C(=O)NCc2cc(F)c(Br)cc2F)C1 ZINC000529371471 564832057 /nfs/dbraw/zinc/83/20/57/564832057.db2.gz YHSPLSMGTZJYFR-SNVBAGLBSA-N 1 0 376.245 2.998 20 0 GFADRO O=C(NC[C@@H]1COCC[NH2+]1)N1CCC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000529374240 564832399 /nfs/dbraw/zinc/83/23/99/564832399.db2.gz JCCJIDFUQSFMTH-TZMCWYRMSA-N 1 0 388.295 2.535 20 0 GFADRO C[NH+](C)C1(CNS(=O)(=O)Cc2ccccc2Cl)Cc2ccccc2C1 ZINC000462311872 564832738 /nfs/dbraw/zinc/83/27/38/564832738.db2.gz GSLJUXMVCKLUCV-UHFFFAOYSA-N 1 0 378.925 2.859 20 0 GFADRO COC(=O)c1cc(Br)cc(C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)c1 ZINC000462310182 564832980 /nfs/dbraw/zinc/83/29/80/564832980.db2.gz GLZYVFXZEUTDDE-MRXNPFEDSA-N 1 0 395.297 2.982 20 0 GFADRO COC(=O)c1cc(Br)cc(C(=O)N2CC[N@H+](C)[C@@H](C(C)C)C2)c1 ZINC000462316583 564833432 /nfs/dbraw/zinc/83/34/32/564833432.db2.gz OYCQZXCVRLXHAF-OAHLLOKOSA-N 1 0 383.286 2.648 20 0 GFADRO COC(=O)c1cc(Br)cc(C(=O)N(C)CC2([NH+](C)C)CCC2)c1 ZINC000462335543 564834756 /nfs/dbraw/zinc/83/47/56/564834756.db2.gz TVDCXUJJPPRCPP-UHFFFAOYSA-N 1 0 383.286 2.792 20 0 GFADRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)c3ccc(Br)c(F)c3F)[C@H]2C1 ZINC000529426941 564835185 /nfs/dbraw/zinc/83/51/85/564835185.db2.gz SSISLKTUCPLEFC-QWHCGFSZSA-N 1 0 389.240 2.663 20 0 GFADRO NC(=O)[C@H](Cc1ccccc1)[NH2+]Cc1cc(Br)cc2c1OCC2 ZINC000462358561 564835182 /nfs/dbraw/zinc/83/51/82/564835182.db2.gz KQZKIKOYRRESBR-INIZCTEOSA-N 1 0 375.266 2.570 20 0 GFADRO CC[NH+]1CCC(N[C@@H]2CCN(c3ccc(Br)c(C)c3)C2=O)CC1 ZINC000462354913 564835241 /nfs/dbraw/zinc/83/52/41/564835241.db2.gz GKQUHBSDZHSWCF-QGZVFWFLSA-N 1 0 380.330 2.937 20 0 GFADRO [NH3+]CC12CCC(CC1)CN2[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000582191788 564835402 /nfs/dbraw/zinc/83/54/02/564835402.db2.gz MDSGNERXZDIVCR-MNQCNDSGSA-N 1 0 378.314 2.758 20 0 GFADRO CC[N@H+](CCNC(=O)Nc1ccncc1Br)CCC(F)(F)F ZINC000494651263 564835997 /nfs/dbraw/zinc/83/59/97/564835997.db2.gz USKHSDJJFWMNTI-UHFFFAOYSA-N 1 0 383.212 2.662 20 0 GFADRO CCC[N@H+](CC)C[C@H](C)NC(=O)C(=O)Nc1cccc(Br)c1C ZINC000582272220 564837688 /nfs/dbraw/zinc/83/76/88/564837688.db2.gz IDCQGQBOZOALFU-LBPRGKRZSA-N 1 0 384.318 2.933 20 0 GFADRO C[C@H](O)C[N@H+](C)C1CCN(Cc2ncc(Cl)cc2Br)CC1 ZINC000529527579 564839885 /nfs/dbraw/zinc/83/98/85/564839885.db2.gz OXDQEFJUCKILKP-NSHDSACASA-N 1 0 376.726 2.775 20 0 GFADRO C[C@H](CNS(=O)(=O)c1ccc(Br)c(F)c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000462438849 564840074 /nfs/dbraw/zinc/84/00/74/564840074.db2.gz FNQWHCQSNXSEMR-VXGBXAGGSA-N 1 0 393.322 2.987 20 0 GFADRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(Br)c2c1OCCC2 ZINC000494804166 564840339 /nfs/dbraw/zinc/84/03/39/564840339.db2.gz KTHYOVAXOJWYRV-LBPRGKRZSA-N 1 0 379.298 2.988 20 0 GFADRO Cc1nc2sccn2c(=O)c1CC[NH2+][C@H](C)c1ccc([S@@](C)=O)cc1 ZINC000556811363 564841293 /nfs/dbraw/zinc/84/12/93/564841293.db2.gz XIVXBWRKIBMXLT-XELLLNAOSA-N 1 0 375.519 2.695 20 0 GFADRO CC(C)(C)S(=O)(=O)N1CCC([NH2+]Cc2ncc(Br)s2)CC1 ZINC000494842793 564841780 /nfs/dbraw/zinc/84/17/80/564841780.db2.gz TWYRTFZTXVYFCF-UHFFFAOYSA-N 1 0 396.376 2.588 20 0 GFADRO CC(C)(C)S(=O)(=O)N1CCC([NH2+]Cc2ccc(Br)cn2)CC1 ZINC000494841067 564842096 /nfs/dbraw/zinc/84/20/96/564842096.db2.gz XZXWGPNJPVVXRT-UHFFFAOYSA-N 1 0 390.347 2.526 20 0 GFADRO Cn1ccnc1-c1csc(NC(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)n1 ZINC000556824096 564842116 /nfs/dbraw/zinc/84/21/16/564842116.db2.gz UOUUOJBVWYCPSB-CYBMUJFWSA-N 1 0 377.539 2.700 20 0 GFADRO CO[C@@H]1CCN(C(=O)CCCOc2cccc(Br)c2)[C@@H](C[NH3+])C1 ZINC000582355169 564842379 /nfs/dbraw/zinc/84/23/79/564842379.db2.gz YPNXBARQNBEHHN-HUUCEWRRSA-N 1 0 385.302 2.573 20 0 GFADRO Cc1cc(S(=O)(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)c(C)cc1Br ZINC000462486819 564842467 /nfs/dbraw/zinc/84/24/67/564842467.db2.gz SIDHFIOGYHCGNQ-QWHCGFSZSA-N 1 0 375.332 2.827 20 0 GFADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)NCCC[N@@H+]2CCCC[C@@H]2C)c1 ZINC000462478744 564842670 /nfs/dbraw/zinc/84/26/70/564842670.db2.gz UYJLLHAJWQTPHS-ZDUSSCGKSA-N 1 0 388.917 2.669 20 0 GFADRO CC[C@@H](CCc1ccc(Br)cc1)[NH2+]CCS(=O)(=O)N(C)C ZINC000582390455 564843604 /nfs/dbraw/zinc/84/36/04/564843604.db2.gz JXJWQBIZXLQZTI-HNNXBMFYSA-N 1 0 377.348 2.641 20 0 GFADRO CCn1cc([C@@H]2NC(=O)CC[C@H]2[NH2+][C@@H](C)c2cncc(Br)c2)cn1 ZINC000582371637 564843870 /nfs/dbraw/zinc/84/38/70/564843870.db2.gz GWWMRVYNOGTNGM-CXMBCZLWSA-N 1 0 392.301 2.731 20 0 GFADRO C[NH+](C)C[C@H](CNC(=O)CNC(=O)c1ccsc1)c1ccc(Cl)cc1 ZINC000556850186 564843922 /nfs/dbraw/zinc/84/39/22/564843922.db2.gz ABEILGZFFDTVQM-HNNXBMFYSA-N 1 0 379.913 2.593 20 0 GFADRO O=S(=O)(C1CC1)N1CCC[C@@H]([NH2+]Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000556846013 564844201 /nfs/dbraw/zinc/84/42/01/564844201.db2.gz VDECMSPQJXQLOR-CYBMUJFWSA-N 1 0 378.416 2.631 20 0 GFADRO CC[N@H+](CCO)CCNC(=O)C[C@H](C)c1ccc(F)c(Br)c1 ZINC000462500409 564844233 /nfs/dbraw/zinc/84/42/33/564844233.db2.gz INCYUZHAXMQACQ-LBPRGKRZSA-N 1 0 375.282 2.512 20 0 GFADRO O=C(COc1ccc(Br)cc1)N1CC[NH+](C[C@@H]2CCSC2)CC1 ZINC000494951164 564844340 /nfs/dbraw/zinc/84/43/40/564844340.db2.gz AYGYDWZSAPRENR-AWEZNQCLSA-N 1 0 399.354 2.725 20 0 GFADRO Cc1c(S(=O)(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)cnn1-c1ccc(Cl)cc1 ZINC000462502519 564844538 /nfs/dbraw/zinc/84/45/38/564844538.db2.gz NRBHWGHDFFZGAW-SWLSCSKDSA-N 1 0 382.917 2.595 20 0 GFADRO C[C@]1(CO)C[N@@H+](CC2=Cc3cc(Br)ccc3OC2)C[C@@]1(C)CO ZINC000529668425 564846109 /nfs/dbraw/zinc/84/61/09/564846109.db2.gz JMZROUYPIFRZQA-HDICACEKSA-N 1 0 382.298 2.538 20 0 GFADRO CC(C)[N@H+](C)C[C@@H](C)NC(=O)N(CCO)Cc1cccc(Br)c1 ZINC000462533441 564846448 /nfs/dbraw/zinc/84/64/48/564846448.db2.gz ICRKJHHNBSELHI-CQSZACIVSA-N 1 0 386.334 2.682 20 0 GFADRO COC(=O)COc1ccccc1[C@@H](C)[NH2+]CCn1cc(Br)cn1 ZINC000556920845 564846636 /nfs/dbraw/zinc/84/66/36/564846636.db2.gz PCEWHIWTXIYZIW-GFCCVEGCSA-N 1 0 382.258 2.548 20 0 GFADRO C[C@H]1CCC[N@@H+](C(C)(C)CNS(=O)(=O)c2ccc(Br)cn2)C1 ZINC000462550469 564847517 /nfs/dbraw/zinc/84/75/17/564847517.db2.gz LCHZAFAFJABSQI-LBPRGKRZSA-N 1 0 390.347 2.633 20 0 GFADRO CC[NH+]1CCN(CC(=O)Nc2cc(Cl)c(Br)cc2F)CC1 ZINC000529695878 564847597 /nfs/dbraw/zinc/84/75/97/564847597.db2.gz CJXRFCDJZXTFOJ-UHFFFAOYSA-N 1 0 378.673 2.818 20 0 GFADRO COc1ncc(C(=O)NC[C@@H]2CC[N@@H+]2C2CCCCC2)cc1Br ZINC000529714684 564848557 /nfs/dbraw/zinc/84/85/57/564848557.db2.gz MMGZCBOYIRVFHY-AWEZNQCLSA-N 1 0 382.302 2.990 20 0 GFADRO O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1cccc(Sc2cccc(Br)c2)n1 ZINC000495120730 564848794 /nfs/dbraw/zinc/84/87/94/564848794.db2.gz NVNXPWJDCOLDQF-VIKVFOODSA-N 1 0 390.306 2.943 20 0 GFADRO O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)[C@@H](Oc1ccccc1Br)c1ccccc1 ZINC000495106530 564848955 /nfs/dbraw/zinc/84/89/55/564848955.db2.gz WFXVTOWCLODAMP-JFTQMJAMSA-N 1 0 387.277 2.903 20 0 GFADRO C[C@H](CCNS(=O)(=O)c1ccccc1)[NH2+]Cc1ccc(Br)cn1 ZINC000556970748 564849165 /nfs/dbraw/zinc/84/91/65/564849165.db2.gz PNRIODMWABTDOO-CYBMUJFWSA-N 1 0 398.326 2.691 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)C(=O)N[C@H](c1cccs1)C1CC1)c1cccs1 ZINC000582500368 564849335 /nfs/dbraw/zinc/84/93/35/564849335.db2.gz KCNLBZNPXBTIPU-CJNGLKHVSA-N 1 0 377.535 2.796 20 0 GFADRO CC[NH+]1CCN(CC(=O)N[C@H](C)c2cc(F)c(Br)cc2F)CC1 ZINC000529751548 564849690 /nfs/dbraw/zinc/84/96/90/564849690.db2.gz KRHDOKPNUJMZOR-LLVKDONJSA-N 1 0 390.272 2.542 20 0 GFADRO O=C(NC[C@H]1CCCC[N@@H+]1C1CC1)c1cn2ccc(Br)cc2n1 ZINC000557015121 564850723 /nfs/dbraw/zinc/85/07/23/564850723.db2.gz DFNNZJLGMDHBJD-CQSZACIVSA-N 1 0 377.286 2.844 20 0 GFADRO C[C@H](NC(=O)C(=O)NCC[N@H+](C)C1CCCC1)c1ccc(Br)cc1 ZINC000557015065 564850964 /nfs/dbraw/zinc/85/09/64/564850964.db2.gz AFTAAGVFACIALD-ZDUSSCGKSA-N 1 0 396.329 2.617 20 0 GFADRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1cccc(I)c1 ZINC000557117874 564855015 /nfs/dbraw/zinc/85/50/15/564855015.db2.gz KXWPAAPXYLNESH-WFASDCNBSA-N 1 0 384.261 2.990 20 0 GFADRO COc1ccc(Br)c(C(=O)N2CCC(C)([NH+]3CCOCC3)CC2)c1 ZINC000529913106 564855818 /nfs/dbraw/zinc/85/58/18/564855818.db2.gz YVFPTKYNQSPCST-UHFFFAOYSA-N 1 0 397.313 2.785 20 0 GFADRO CS[C@H]1CN(C(=O)Cc2c[nH]c3cccc(Br)c23)C[C@@H]1[NH+](C)C ZINC000495657774 564855860 /nfs/dbraw/zinc/85/58/60/564855860.db2.gz VFXPAGUINMROSY-GJZGRUSLSA-N 1 0 396.354 2.977 20 0 GFADRO CC1([NH+]2CCOCC2)CCN(C(=O)Cc2ccc(Br)c(F)c2)CC1 ZINC000529910412 564856036 /nfs/dbraw/zinc/85/60/36/564856036.db2.gz DACQWJFDMVJVIR-UHFFFAOYSA-N 1 0 399.304 2.844 20 0 GFADRO O=C(NCCc1c[nH]c2ccc(Br)cc12)NCC1CC[NH2+]CC1 ZINC000557175458 564856812 /nfs/dbraw/zinc/85/68/12/564856812.db2.gz IRYFTDOAMGLGSL-UHFFFAOYSA-N 1 0 379.302 2.772 20 0 GFADRO CS[C@H]1CN(C(=O)Cc2cc(F)ccc2Br)C[C@@H]1[NH+](C)C ZINC000495730715 564857033 /nfs/dbraw/zinc/85/70/33/564857033.db2.gz WIILLBMUOOAUSN-KBPBESRZSA-N 1 0 375.307 2.635 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N[C@@H]1CCSc2ccc(Cl)cc21 ZINC000557210061 564858533 /nfs/dbraw/zinc/85/85/33/564858533.db2.gz RVESFVDAMDOJLA-DZGCQCFKSA-N 1 0 381.929 2.594 20 0 GFADRO O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)N1CCC(OCc2ccc(Cl)c(Cl)c2)CC1 ZINC000557237413 564858608 /nfs/dbraw/zinc/85/86/08/564858608.db2.gz SOIGVNSSMDNBAJ-HALDLXJZSA-N 1 0 384.307 2.902 20 0 GFADRO C[NH+](C)C[C@H](NC(=O)[C@H]1CCCc2nn[nH]c21)c1ccc(Cl)c(Cl)c1 ZINC000530034731 564860454 /nfs/dbraw/zinc/86/04/54/564860454.db2.gz XHYWIJXIPRWLFU-NHYWBVRUSA-N 1 0 382.295 2.951 20 0 GFADRO COc1cc(Br)c(C[NH2+][C@@H]2CCO[C@H](c3ccnn3C)C2)cc1O ZINC000582826066 564863728 /nfs/dbraw/zinc/86/37/28/564863728.db2.gz GOLAQCZUYNXQNU-WBMJQRKESA-N 1 0 396.285 2.907 20 0 GFADRO C[C@@H](Cn1cc(Br)cn1)[NH2+][C@@H]1CC(=O)N(c2ccccc2F)C1 ZINC000462945451 564863916 /nfs/dbraw/zinc/86/39/16/564863916.db2.gz MNBMENSQMQHMLM-WCQYABFASA-N 1 0 381.249 2.568 20 0 GFADRO C[C@H](CNC(=O)[C@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)c(Cl)c1)C[NH+](C)C ZINC000557468488 564864519 /nfs/dbraw/zinc/86/45/19/564864519.db2.gz GJYJOTFPSVFBJZ-ZUCKAHLUSA-N 1 0 386.323 2.827 20 0 GFADRO C[C@H](CNC(=O)[C@H](c1cc(Cl)cc(Cl)c1)N1CCOCC1)C[NH+](C)C ZINC000557467089 564864583 /nfs/dbraw/zinc/86/45/83/564864583.db2.gz QNNMACWYPQGDOJ-DYVFJYSZSA-N 1 0 388.339 2.681 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCCCN1S(=O)(=O)c1cc(F)c(Br)cc1F ZINC000497352171 564865275 /nfs/dbraw/zinc/86/52/75/564865275.db2.gz IEKGPVNBXRWPCZ-UFBFGSQYSA-N 1 0 383.258 2.618 20 0 GFADRO [NH3+]C[C@@H]1CCCN(S(=O)(=O)c2c(Cl)cc(F)cc2Br)C1 ZINC000497354955 564865384 /nfs/dbraw/zinc/86/53/84/564865384.db2.gz PDNIILMRPLANOE-QMMMGPOBSA-N 1 0 385.686 2.601 20 0 GFADRO C[C@H]1C[N@H+](C)C[C@H]1c1nc(Cc2cc(Br)c3c(c2)OCCO3)no1 ZINC000463051388 564868079 /nfs/dbraw/zinc/86/80/79/564868079.db2.gz DPKUZJHBOVELHP-CMPLNLGQSA-N 1 0 394.269 2.859 20 0 GFADRO C[C@H](O)C[N@@H+]1CCN(c2ccc(Br)c(C(F)(F)F)n2)[C@@H](C)C1 ZINC000557658072 564871406 /nfs/dbraw/zinc/87/14/06/564871406.db2.gz ZLFIBLQRNFXNHL-UWVGGRQHSA-N 1 0 382.224 2.754 20 0 GFADRO COc1ccc(NC(=O)N2C[C@H](SC)[C@@H]([NH+](C)C)C2)c(Br)c1 ZINC000497657003 564873143 /nfs/dbraw/zinc/87/31/43/564873143.db2.gz KOUYKVDXKYRLOF-KBPBESRZSA-N 1 0 388.331 2.967 20 0 GFADRO CN1C(=O)c2ccccc2[C@H]1C[NH2+]C[C@H](O)c1ccc(Br)cc1 ZINC000530242537 564873225 /nfs/dbraw/zinc/87/32/25/564873225.db2.gz GJYPBNRXCWGJAO-SJORKVTESA-N 1 0 375.266 2.899 20 0 GFADRO COc1ccc(Br)cc1NC(=O)N1C[C@@H](SC)[C@H]([NH+](C)C)C1 ZINC000497675537 564873804 /nfs/dbraw/zinc/87/38/04/564873804.db2.gz FXCRXPZJOXVDIU-TZMCWYRMSA-N 1 0 388.331 2.967 20 0 GFADRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NCc1cc(Br)cc2c1OCC2 ZINC000463265337 564874539 /nfs/dbraw/zinc/87/45/39/564874539.db2.gz WVQLUCXMJUBMKW-WBMJQRKESA-N 1 0 396.329 2.866 20 0 GFADRO O=C(NCc1nc2c(cccc2Br)[nH]1)[C@H](C1CC1)[NH+]1CCCC1 ZINC000583068864 564874742 /nfs/dbraw/zinc/87/47/42/564874742.db2.gz ADFUQVAFOQECLN-INIZCTEOSA-N 1 0 377.286 2.816 20 0 GFADRO O=C(NCc1cc(Br)cc2c1OCC2)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000463260445 564874880 /nfs/dbraw/zinc/87/48/80/564874880.db2.gz QHWYOKSTTPKWHW-MRXNPFEDSA-N 1 0 394.313 2.764 20 0 GFADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)NCc2cc(Br)cc3c2OCC3)C1 ZINC000463255117 564874927 /nfs/dbraw/zinc/87/49/27/564874927.db2.gz BGHDJIMAUJREFX-ZDUSSCGKSA-N 1 0 396.329 2.867 20 0 GFADRO CC(C)[NH+]1CCN(C(=O)NCc2cc(Br)cc3c2OCC3)CC1 ZINC000463265602 564875045 /nfs/dbraw/zinc/87/50/45/564875045.db2.gz ZBBVCVVLOPNYNZ-UHFFFAOYSA-N 1 0 382.302 2.620 20 0 GFADRO C[C@@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+]CC1(S(C)(=O)=O)CC1 ZINC000530418895 564880414 /nfs/dbraw/zinc/88/04/14/564880414.db2.gz IZCYAQZXAXBGTM-NSHDSACASA-N 1 0 378.416 2.589 20 0 GFADRO CC[N@H+](C[C@H](C)OC)[C@H](C)C(=O)Nc1cccc(I)c1 ZINC000463425827 564880648 /nfs/dbraw/zinc/88/06/48/564880648.db2.gz VQZXGMQWACRUQU-NWDGAFQWSA-N 1 0 390.265 2.975 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCn2ccnc2C1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000530465509 564882911 /nfs/dbraw/zinc/88/29/11/564882911.db2.gz UTWXWAXGRGDLCP-VHSXEESVSA-N 1 0 389.308 2.503 20 0 GFADRO C[C@@H]1C[N@@H+](CCCNC(=O)COc2cc(Cl)cc(Cl)c2)C[C@H](C)O1 ZINC000498041148 564886462 /nfs/dbraw/zinc/88/64/62/564886462.db2.gz HSKKGMOFHQHUFP-BETUJISGSA-N 1 0 375.296 2.988 20 0 GFADRO COC(=O)C[C@]1([NH2+]CC2=Cc3cc(Br)ccc3OC2)CCOC1 ZINC000463722583 564887813 /nfs/dbraw/zinc/88/78/13/564887813.db2.gz AWDPVXQSPVTUMZ-QGZVFWFLSA-N 1 0 382.254 2.537 20 0 GFADRO CN(C[C@@H]1CC[N@H+](C)C1)C(=O)c1c(Cl)cccc1I ZINC000463752588 564888668 /nfs/dbraw/zinc/88/86/68/564888668.db2.gz CZMMBSMKLFKJJL-SNVBAGLBSA-N 1 0 392.668 2.968 20 0 GFADRO CC[N@@H+]1CCC[C@@H](CNC(=O)c2c(F)cccc2I)C1 ZINC000498071962 564888327 /nfs/dbraw/zinc/88/83/27/564888327.db2.gz UNYBSHSNUWYTLE-NSHDSACASA-N 1 0 390.240 2.892 20 0 GFADRO C[NH+](C)[C@]1(CNS(=O)(=O)c2csc(-c3ccccc3)n2)CCSC1 ZINC000530652000 564890512 /nfs/dbraw/zinc/89/05/12/564890512.db2.gz TWAWBDJALNUFKM-INIZCTEOSA-N 1 0 383.564 2.526 20 0 GFADRO C[C@H](CC[NH+](C)C)NC(=O)[C@@H](c1ccc(Cl)cc1Cl)N1CCOCC1 ZINC000463813484 564890615 /nfs/dbraw/zinc/89/06/15/564890615.db2.gz ASRJGFSNIWOHQB-CXAGYDPISA-N 1 0 388.339 2.823 20 0 GFADRO C[NH+](C)CCOC1CCN(C(=O)COc2cc(Cl)cc(Cl)c2)CC1 ZINC000463816586 564890820 /nfs/dbraw/zinc/89/08/20/564890820.db2.gz HVJJVIZXCLRSEN-UHFFFAOYSA-N 1 0 375.296 2.941 20 0 GFADRO [NH3+][C@@H](CC(F)F)C(=O)NCCSCCOc1cccc(Br)c1 ZINC000498208839 564891859 /nfs/dbraw/zinc/89/18/59/564891859.db2.gz UNHSJGHLYMHFNQ-LBPRGKRZSA-N 1 0 397.285 2.660 20 0 GFADRO Cc1nc(C)c(S(=O)(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)s1 ZINC000530716891 564892290 /nfs/dbraw/zinc/89/22/90/564892290.db2.gz IYKGCNUFDYDDNZ-DYVFJYSZSA-N 1 0 379.551 2.949 20 0 GFADRO C[C@@H](CC(N)=O)[NH2+]Cc1cc(Br)ccc1OCc1ccccn1 ZINC000498349894 564896994 /nfs/dbraw/zinc/89/69/94/564896994.db2.gz MDKKRDUMVCVQIQ-LBPRGKRZSA-N 1 0 378.270 2.777 20 0 GFADRO C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@@H]2COc3c2ccc(Cl)c3Cl)[C@H](C)C1 ZINC000498415486 564898005 /nfs/dbraw/zinc/89/80/05/564898005.db2.gz QXNSTLHWOCQLJB-UHIISALHSA-N 1 0 388.295 2.523 20 0 GFADRO COc1ccc(Br)cc1CN(C)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000583631560 564900536 /nfs/dbraw/zinc/90/05/36/564900536.db2.gz HXKKPSUOIDPNMG-ROUUACIJSA-N 1 0 393.325 2.820 20 0 GFADRO CCOC(=O)CSc1nnc(NC(=O)c2cccc(C[NH+](C)C)c2)s1 ZINC000498586503 564903657 /nfs/dbraw/zinc/90/36/57/564903657.db2.gz YJHBEHIYEYKKGF-UHFFFAOYSA-N 1 0 380.495 2.507 20 0 GFADRO CC[NH+](CC)C[C@H](C)NC(=O)[C@H]1CSCN1C(=O)c1ccc(Cl)cc1 ZINC000498646518 564904605 /nfs/dbraw/zinc/90/46/05/564904605.db2.gz NEVHOLRKQYCCAG-XJKSGUPXSA-N 1 0 383.945 2.702 20 0 GFADRO C[NH+](C)Cc1ccc(-c2noc(Cn3cc(Br)ccc3=O)n2)cc1 ZINC000531348539 564907410 /nfs/dbraw/zinc/90/74/10/564907410.db2.gz NTDUEGKQGGCZCK-UHFFFAOYSA-N 1 0 389.253 2.771 20 0 GFADRO CC(C)[N@H+](C)C[C@@H](C)NC(=O)CCNC(=O)Nc1ccc(Br)cc1 ZINC000558616882 564909147 /nfs/dbraw/zinc/90/91/47/564909147.db2.gz DHUMTXYCHRHFJI-CYBMUJFWSA-N 1 0 399.333 2.806 20 0 GFADRO C[NH+](C)C1(CNC(=O)NCC(=O)Nc2ccc(Br)cc2)CCCC1 ZINC000531482987 564911613 /nfs/dbraw/zinc/91/16/13/564911613.db2.gz JMVCQOVURDUXQN-UHFFFAOYSA-N 1 0 397.317 2.561 20 0 GFADRO Cc1ncc(Br)cc1NC(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000583915600 564912817 /nfs/dbraw/zinc/91/28/17/564912817.db2.gz YMAVQAQGJBJLNI-SFHVURJKSA-N 1 0 390.281 2.728 20 0 GFADRO Cc1ncc(Br)cc1NC(=O)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000583915599 564912935 /nfs/dbraw/zinc/91/29/35/564912935.db2.gz YMAVQAQGJBJLNI-GOSISDBHSA-N 1 0 390.281 2.728 20 0 GFADRO CS[C@H](CO)[C@H](C)[NH2+]C[C@H](O)COc1ccc(Cl)cc1Br ZINC000583934357 564913250 /nfs/dbraw/zinc/91/32/50/564913250.db2.gz CHVYLWACIVDMKI-NURSFMCSSA-N 1 0 398.750 2.544 20 0 GFADRO O=C(CCOc1ccc(Cl)cc1Br)N[C@@H]1C[NH2+]CCC1(F)F ZINC000583935418 564913297 /nfs/dbraw/zinc/91/32/97/564913297.db2.gz MKHVHEGNRSTCKX-GFCCVEGCSA-N 1 0 397.647 2.985 20 0 GFADRO C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000583932329 564913496 /nfs/dbraw/zinc/91/34/96/564913496.db2.gz HHFVNRGJBOVGTE-UNEWFSDZSA-N 1 0 381.314 2.907 20 0 GFADRO C[NH+](C)CCn1ccc(NC(=O)Nc2cccc(Br)c2Cl)n1 ZINC000558842233 564916104 /nfs/dbraw/zinc/91/61/04/564916104.db2.gz URHGXWRCUOTQQV-UHFFFAOYSA-N 1 0 386.681 3.505 20 0 GFADRO O=C(NC[C@H]1CCN(c2cccc(Br)c2)C1)[C@@H]1CCCCC[NH2+]1 ZINC000584055849 564919053 /nfs/dbraw/zinc/91/90/53/564919053.db2.gz SQVWJVQCAIYMON-PBHICJAKSA-N 1 0 380.330 2.924 20 0 GFADRO COc1ccc(Br)cc1CNC(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000531771389 564920335 /nfs/dbraw/zinc/92/03/35/564920335.db2.gz VOWHMCMXZUPEGL-HNNXBMFYSA-N 1 0 382.302 2.836 20 0 GFADRO C[NH+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000464928105 564920513 /nfs/dbraw/zinc/92/05/13/564920513.db2.gz WIVRDYVPMXITKM-KGLIPLIRSA-N 1 0 384.307 2.899 20 0 GFADRO C[NH+](C)[C@]1(CNC(=O)N2CCc3cccc(Br)c3C2)CCSC1 ZINC000464913245 564920749 /nfs/dbraw/zinc/92/07/49/564920749.db2.gz ZHPVSJAFIKXPIC-KRWDZBQOSA-N 1 0 398.370 2.954 20 0 GFADRO CCOc1c(Br)cc(C[N@H+](C)CCNC(=O)N(C)C)cc1OC ZINC000499235187 564921058 /nfs/dbraw/zinc/92/10/58/564921058.db2.gz SOIFNJFIUKPOIU-UHFFFAOYSA-N 1 0 388.306 2.559 20 0 GFADRO C[NH+](C)CCCN(C(=O)c1cc2sccc2s1)[C@H]1CCS(=O)(=O)C1 ZINC000531824464 564921104 /nfs/dbraw/zinc/92/11/04/564921104.db2.gz KRKAOIZLWDYXSP-LBPRGKRZSA-N 1 0 386.564 2.544 20 0 GFADRO CC[NH+](CC)[C@H]1CCN(C(=O)[C@@H](C)NC(=O)c2ccc(Br)cc2)C1 ZINC000464970952 564921491 /nfs/dbraw/zinc/92/14/91/564921491.db2.gz HJZGJPYRSUUUGR-CJNGLKHVSA-N 1 0 396.329 2.510 20 0 GFADRO C[C@H](C[NH3+])N(C)C(=O)NCCOc1ccc2cc(Br)ccc2c1 ZINC000584162311 564923383 /nfs/dbraw/zinc/92/33/83/564923383.db2.gz YTCIQHFDFCZNBT-GFCCVEGCSA-N 1 0 380.286 2.970 20 0 GFADRO CCn1cc(Br)cc1C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000465358099 564927314 /nfs/dbraw/zinc/92/73/14/564927314.db2.gz NJTZBOAMLAACHU-UHFFFAOYSA-N 1 0 398.345 2.988 20 0 GFADRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NCCOc1cccc(Br)c1 ZINC000532063925 564927973 /nfs/dbraw/zinc/92/79/73/564927973.db2.gz FZGRBVXVVAUWAQ-WBMJQRKESA-N 1 0 382.302 2.610 20 0 GFADRO C[C@H](CNC(=O)c1cc(Br)cnc1N(C)C)[N@@H+]1CCC[C@H](C)C1 ZINC000499448046 564928147 /nfs/dbraw/zinc/92/81/47/564928147.db2.gz AEEDVKKNRBVFSC-QWHCGFSZSA-N 1 0 383.334 2.760 20 0 GFADRO C[C@H](CNC(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1)Oc1cccc(Br)c1 ZINC000465688926 564930559 /nfs/dbraw/zinc/93/05/59/564930559.db2.gz JXFTZNDVGDXOGW-KGLIPLIRSA-N 1 0 396.329 3.000 20 0 GFADRO NC(=O)C[C@H]([NH2+]Cc1cccc(I)c1)c1ccccc1 ZINC000559344234 564930794 /nfs/dbraw/zinc/93/07/94/564930794.db2.gz DTXRWNKAKDYZAV-HNNXBMFYSA-N 1 0 380.229 2.998 20 0 GFADRO Ic1ccc2c(c1)[C@H]([NH2+]C[C@@H]1COCCO1)CCCO2 ZINC000532193875 564932529 /nfs/dbraw/zinc/93/25/29/564932529.db2.gz KNPJFGMSXNXEEA-TZMCWYRMSA-N 1 0 389.233 2.510 20 0 GFADRO C[C@@H](CNC(=O)NCC1CC[NH+](C)CC1)Oc1cccc(Br)c1 ZINC000465860412 564932622 /nfs/dbraw/zinc/93/26/22/564932622.db2.gz LMZMJSVGCFTSFW-ZDUSSCGKSA-N 1 0 384.318 2.857 20 0 GFADRO C[C@H](C[NH2+]C1(Cc2ccc(F)cc2Cl)CCOCC1)CS(C)(=O)=O ZINC000559409638 564932786 /nfs/dbraw/zinc/93/27/86/564932786.db2.gz CGRLXPWQTHERLH-CYBMUJFWSA-N 1 0 377.909 2.841 20 0 GFADRO O=c1cc(C[N@@H+]2CCC[C@]3(CCCOC3)C2)nc2ccc(Br)cn12 ZINC000532569838 564940989 /nfs/dbraw/zinc/94/09/89/564940989.db2.gz VLJQGSXNDHLZQW-SFHVURJKSA-N 1 0 392.297 2.850 20 0 GFADRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)Cc1ccc(F)c(Br)c1 ZINC000499929599 564940963 /nfs/dbraw/zinc/94/09/63/564940963.db2.gz NFLZCBWCHPKKAL-AWEZNQCLSA-N 1 0 387.293 2.700 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)C1(c2ccc(I)cc2)CC1 ZINC000499993958 564942424 /nfs/dbraw/zinc/94/24/24/564942424.db2.gz DHXFZZAPYWTNSD-OAHLLOKOSA-N 1 0 398.288 2.923 20 0 GFADRO CC(C)[N@@H+](CC(=O)NCC(=O)Nc1ccccc1Br)CC1CC1 ZINC000532665527 564942486 /nfs/dbraw/zinc/94/24/86/564942486.db2.gz NRLJUHJDRCRJHY-UHFFFAOYSA-N 1 0 382.302 2.624 20 0 GFADRO CC[N@@H+]1C[C@H](C)N(C(=O)c2c(F)cccc2I)C[C@@H]1C ZINC000500116911 564946053 /nfs/dbraw/zinc/94/60/53/564946053.db2.gz ZPIJRCSYJKPXPO-QWRGUYRKSA-N 1 0 390.240 2.985 20 0 GFADRO CC(C)(C)[C@H](O)C[C@@H](CO)[NH2+]Cc1cccc(I)c1 ZINC000560093937 564949425 /nfs/dbraw/zinc/94/94/25/564949425.db2.gz GLCWBAQIJQUUQH-UONOGXRCSA-N 1 0 377.266 2.539 20 0 GFADRO C[C@@H]1CN(CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)C[C@H](C)S1 ZINC000532969570 564951231 /nfs/dbraw/zinc/95/12/31/564951231.db2.gz GAIAOGDEMMJMTI-IYBDPMFKSA-N 1 0 379.595 3.000 20 0 GFADRO C[C@H](Oc1ccc(F)cc1Br)C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000467029128 564953222 /nfs/dbraw/zinc/95/32/22/564953222.db2.gz PUYKIMHIPREKMZ-ZETOZRRWSA-N 1 0 385.277 2.954 20 0 GFADRO C[C@H](Oc1ccc(F)cc1Br)C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000467029129 564953512 /nfs/dbraw/zinc/95/35/12/564953512.db2.gz PUYKIMHIPREKMZ-ZIBATOQPSA-N 1 0 385.277 2.954 20 0 GFADRO CCC(=O)N[C@@H]1CCC[N@H+](C[C@@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000500454077 564954309 /nfs/dbraw/zinc/95/43/09/564954309.db2.gz DDNINLLJKPXGFE-ZIAGYGMSSA-N 1 0 375.296 2.724 20 0 GFADRO CS(=O)(=O)NC[C@H]1CCC[C@H]1[NH2+]Cc1csc(-c2ccc(F)cc2)n1 ZINC000500473379 564955119 /nfs/dbraw/zinc/95/51/19/564955119.db2.gz AZLYGXRQRAMDCV-CZUORRHYSA-N 1 0 383.514 2.757 20 0 GFADRO CC[NH+](CC)CCOC1CCN(CC(=O)NCc2ccc(Cl)s2)CC1 ZINC000467174233 564957669 /nfs/dbraw/zinc/95/76/69/564957669.db2.gz GXQQBXGIADDOSG-UHFFFAOYSA-N 1 0 387.977 2.841 20 0 GFADRO COC[C@H]1CC[N@H+](CC(=O)Nc2ccc(I)cc2C)C1 ZINC000533289807 564959589 /nfs/dbraw/zinc/95/95/89/564959589.db2.gz CWZCKQSUVHOYIT-LBPRGKRZSA-N 1 0 388.249 2.506 20 0 GFADRO C[C@@H](Cc1cccc(C(F)(F)F)c1)[NH2+]CCS(=O)(=O)N1CCSCC1 ZINC000467341491 564961146 /nfs/dbraw/zinc/96/11/46/564961146.db2.gz FAIVSUARUPFVOI-ZDUSSCGKSA-N 1 0 396.500 2.605 20 0 GFADRO COc1ccc(C(=O)N2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)c(Br)c1 ZINC000533478423 564963052 /nfs/dbraw/zinc/96/30/52/564963052.db2.gz XKMWYGUWTLHRBS-AFAVFJNCSA-N 1 0 397.313 2.781 20 0 GFADRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1S(=O)(=O)c1ccc(OC(F)(F)F)cc1 ZINC000560472137 564963875 /nfs/dbraw/zinc/96/38/75/564963875.db2.gz IZQXYDMZLTWETA-CHWSQXEVSA-N 1 0 378.416 2.833 20 0 GFADRO Cc1sc(=O)n(CC(=O)NC[C@H](C[NH+](C)C)c2ccc(Cl)cc2)c1C ZINC000560506184 564965637 /nfs/dbraw/zinc/96/56/37/564965637.db2.gz MUJUSRPFIBNDMM-OAHLLOKOSA-N 1 0 381.929 2.642 20 0 GFADRO CCOc1c(Cl)cc(NC(=O)C(=O)N[C@H]2CCC[N@H+](C)[C@@H]2C)cc1Cl ZINC000467543324 564966356 /nfs/dbraw/zinc/96/63/56/564966356.db2.gz NWWXDDPGPUSELM-YGRLFVJLSA-N 1 0 388.295 2.930 20 0 GFADRO CCOc1c(Cl)cc(NC(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1Cl ZINC000467570573 564967202 /nfs/dbraw/zinc/96/72/02/564967202.db2.gz TWNYJVOZAKTRDV-GHMZBOCLSA-N 1 0 388.295 2.930 20 0 GFADRO COC(=O)c1csc([C@@H](C)[NH2+]CCNS(=O)(=O)c2ccc(C)s2)c1 ZINC000560543827 564967320 /nfs/dbraw/zinc/96/73/20/564967320.db2.gz NAQXVGOMPRIMOG-LLVKDONJSA-N 1 0 388.536 2.534 20 0 GFADRO CC[NH+]1CCN(CC(=O)NC2(c3ccc(Br)cc3)CCC2)CC1 ZINC000468052602 564977284 /nfs/dbraw/zinc/97/72/84/564977284.db2.gz MBCJDTZHNCCJFP-UHFFFAOYSA-N 1 0 380.330 2.582 20 0 GFADRO C[C@H](CC(F)(F)F)[NH2+][C@H](C)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000468044449 564977608 /nfs/dbraw/zinc/97/76/08/564977608.db2.gz IEKMTWAQZMFXCG-CHWSQXEVSA-N 1 0 380.432 2.699 20 0 GFADRO CS[C@H]1CN(C(=O)Cc2csc(-c3cccc(F)c3)n2)C[C@@H]1[NH+](C)C ZINC000534091756 564979522 /nfs/dbraw/zinc/97/95/22/564979522.db2.gz OZYVOPMLIDBZBG-HOTGVXAUSA-N 1 0 379.526 2.996 20 0 GFADRO O=C(Nc1nnc(-c2cccc(Cl)c2)s1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000561008270 564980989 /nfs/dbraw/zinc/98/09/89/564980989.db2.gz HFAYPEXVRLIXLB-QGZVFWFLSA-N 1 0 377.901 3.466 20 0 GFADRO C[C@]1(CNC(=O)N[C@H]2CCN(c3cccc(Br)c3)C2)CCC[NH2+]C1 ZINC000561203214 564987710 /nfs/dbraw/zinc/98/77/10/564987710.db2.gz SLRZENAATIQZBH-YJBOKZPZSA-N 1 0 395.345 2.717 20 0 GFADRO Cc1cccc(CNC(=O)NC[C@]2([NH+](C)C)CCSC2)c1Br ZINC000468666995 564989714 /nfs/dbraw/zinc/98/97/14/564989714.db2.gz JZNLSUBHPXCTIA-MRXNPFEDSA-N 1 0 386.359 2.994 20 0 GFADRO C[C@@H](C[NH+]1CCOCC1)C(=O)NCc1ccc(Br)cc1Cl ZINC000502032792 564990404 /nfs/dbraw/zinc/99/04/04/564990404.db2.gz AWQCZLOIKVCICV-NSHDSACASA-N 1 0 375.694 2.687 20 0 GFADRO OC[C@]1([C@@H]([NH2+]Cc2cnc3ccc(Br)cn23)C2CC2)CCCO1 ZINC000561320220 564990986 /nfs/dbraw/zinc/99/09/86/564990986.db2.gz DKSXTFRCQYCNOD-IRXDYDNUSA-N 1 0 380.286 2.507 20 0 GFADRO CC[C@H](C(=O)Nc1cc(Br)cc(C(=O)N2CCCC2)c1)[NH+](C)C ZINC000468739780 564992167 /nfs/dbraw/zinc/99/21/67/564992167.db2.gz MDKFAVFXHFSLEM-OAHLLOKOSA-N 1 0 382.302 2.964 20 0 GFADRO C[C@H](NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1)c1cccc(Cl)c1Cl ZINC000502231904 564995007 /nfs/dbraw/zinc/99/50/07/564995007.db2.gz NJTOVLWUTKCGSI-WCQYABFASA-N 1 0 384.307 2.866 20 0 GFADRO Cc1csc(C(=O)N(C)[C@@H]2C[NH+]3CCC2CC3)c1I ZINC000468832536 564995201 /nfs/dbraw/zinc/99/52/01/564995201.db2.gz GCEDZQZDXOIXJN-LLVKDONJSA-N 1 0 390.290 2.827 20 0 GFADRO CC(C)[N@@H+]1CCC[C@H](NS(=O)(=O)Cc2cccc(Br)c2)C1 ZINC000561526483 564998667 /nfs/dbraw/zinc/99/86/67/564998667.db2.gz SFIJPZBBFIKALW-HNNXBMFYSA-N 1 0 375.332 2.741 20 0 GFADRO O=C(Nc1ccccc1I)N1CC[NH+](C2CCC2)CC1 ZINC000502570861 565001924 /nfs/dbraw/zinc/00/19/24/565001924.db2.gz RNCUNNXEFMCUAH-UHFFFAOYSA-N 1 0 385.249 2.993 20 0 GFADRO C[C@@H]1CC[N@H+](CCNS(=O)(=O)c2c(Cl)cc(F)cc2Br)C1 ZINC000535046617 565004242 /nfs/dbraw/zinc/00/42/42/565004242.db2.gz JSTDYZWCWVLHDU-SECBINFHSA-N 1 0 399.713 2.862 20 0 GFADRO C[C@@H]1C[C@@H]1[N@@H+]1CCN(C(=O)Cc2ccc(Br)cc2O)C[C@@H](C)C1 ZINC000561762376 565007741 /nfs/dbraw/zinc/00/77/41/565007741.db2.gz SRTHEBJFXSAQKX-ZENOOKHLSA-N 1 0 381.314 2.886 20 0 GFADRO Cn1ccnc1[C@H]1CC[N@H+](Cc2cc3c(cc2Br)OCCO3)C1 ZINC000535312533 565010434 /nfs/dbraw/zinc/01/04/34/565010434.db2.gz GQYXUULAUUPDLN-LBPRGKRZSA-N 1 0 378.270 2.943 20 0 GFADRO C[C@H]1C[C@@H](NC(=O)C2(c3ccc(I)cc3)CC2)CC[N@@H+]1C ZINC000503005132 565010736 /nfs/dbraw/zinc/01/07/36/565010736.db2.gz XXKCANMBNYLJCQ-WFASDCNBSA-N 1 0 398.288 2.922 20 0 GFADRO C[C@H]1CN(CCC[NH2+]CCC(=O)Nc2cccc(Br)c2)C[C@H](C)O1 ZINC000561897518 565012024 /nfs/dbraw/zinc/01/20/24/565012024.db2.gz ZNRAKELFRBSZEQ-GJZGRUSLSA-N 1 0 398.345 2.867 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)C1(c2ccc(I)cc2)CC1)C1CC1 ZINC000503159225 565012072 /nfs/dbraw/zinc/01/20/72/565012072.db2.gz PJGHEHDBVSAVFO-HNNXBMFYSA-N 1 0 398.288 2.779 20 0 GFADRO COc1cccc(NC(=O)C[C@@H](C)[NH2+]Cc2ccc(S(C)(=O)=O)s2)c1 ZINC000469297190 565012643 /nfs/dbraw/zinc/01/26/43/565012643.db2.gz JOKWZJXRYHMFAH-GFCCVEGCSA-N 1 0 382.507 2.667 20 0 GFADRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000561907805 565012759 /nfs/dbraw/zinc/01/27/59/565012759.db2.gz ZJAKSEXQQGFAGF-BBRMVZONSA-N 1 0 391.313 2.516 20 0 GFADRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000561907807 565013141 /nfs/dbraw/zinc/01/31/41/565013141.db2.gz ZJAKSEXQQGFAGF-CZUORRHYSA-N 1 0 391.313 2.516 20 0 GFADRO COc1ccc(S(=O)(=O)N2C[C@H](SC)[C@@H]([NH+](C)C)C2)c(Cl)c1Cl ZINC000503218778 565014496 /nfs/dbraw/zinc/01/44/96/565014496.db2.gz LFWWUBLZMCOGCM-ONGXEEELSA-N 1 0 399.365 2.668 20 0 GFADRO O=C(C[N@@H+]1CCCSCC1)N1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000535578206 565016260 /nfs/dbraw/zinc/01/62/60/565016260.db2.gz BOKUOUPTDMAGAS-UHFFFAOYSA-N 1 0 385.936 2.562 20 0 GFADRO C[NH+](C)CCN1C[C@@H](C(=O)N[C@H]2CCc3c2ccc(Cl)c3Cl)CC1=O ZINC000469487453 565018353 /nfs/dbraw/zinc/01/83/53/565018353.db2.gz HMPGGEBMAOSIRT-NHYWBVRUSA-N 1 0 384.307 2.507 20 0 GFADRO Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)[C@@H](C)[C@H](C)S(C)(=O)=O ZINC000469634198 565023309 /nfs/dbraw/zinc/02/33/09/565023309.db2.gz RTZSNUWHCRVQTD-GJZGRUSLSA-N 1 0 384.567 2.552 20 0 GFADRO COCCNS(=O)(=O)c1ccc(C[NH2+]Cc2ccc(Cl)c(C)c2)cc1 ZINC000503563451 565023421 /nfs/dbraw/zinc/02/34/21/565023421.db2.gz SVESNQNCWKNVJP-UHFFFAOYSA-N 1 0 382.913 2.863 20 0 GFADRO C[N@@H+]1CC[C@H](NC(=O)c2cc[nH]c(=O)c2Br)[C@@H]1c1ccccc1 ZINC000469687201 565023793 /nfs/dbraw/zinc/02/37/93/565023793.db2.gz HYVKDTSEBKWVCE-ZFWWWQNUSA-N 1 0 376.254 2.725 20 0 GFADRO CC(C)(C)[C@@H]([NH2+]Cc1ccc(I)cc1Cl)C(N)=O ZINC000503570057 565024262 /nfs/dbraw/zinc/02/42/62/565024262.db2.gz BFTPSKJMGYEOOP-NSHDSACASA-N 1 0 380.657 2.934 20 0 GFADRO COc1cc(Br)ccc1[C@@H](C)[NH2+]CC1(CS(C)(=O)=O)CC1 ZINC000469754777 565026006 /nfs/dbraw/zinc/02/60/06/565026006.db2.gz DONOYAMBNYEIHR-LLVKDONJSA-N 1 0 376.316 2.933 20 0 GFADRO CN(CC1([NH+](C)C)CCC1)C(=O)[C@@H]1CC(=O)Nc2ccc(Br)cc21 ZINC000469824625 565028878 /nfs/dbraw/zinc/02/88/78/565028878.db2.gz JJNCEXNGVCAJGK-CQSZACIVSA-N 1 0 394.313 2.818 20 0 GFADRO C[C@@H](CO)[N@@H+]1CCCN(CCOc2ccc(Cl)cc2Br)CC1 ZINC000469852910 565030335 /nfs/dbraw/zinc/03/03/35/565030335.db2.gz ISECNELZKFIZCR-ZDUSSCGKSA-N 1 0 391.737 2.870 20 0 GFADRO NC(=O)[C@H]1CCCN1CCC[NH2+][C@H]1CCCc2ccc(Br)cc21 ZINC000536175082 565031261 /nfs/dbraw/zinc/03/12/61/565031261.db2.gz CACZAAUYOUVGFE-DLBZAZTESA-N 1 0 380.330 2.756 20 0 GFADRO O=S1(=O)CCO[C@@H](C[NH2+][C@H]2CCCCc3ccc(Br)cc32)C1 ZINC000562562815 565033710 /nfs/dbraw/zinc/03/37/10/565033710.db2.gz SBFAAEGAHMMSQJ-HOCLYGCPSA-N 1 0 388.327 2.620 20 0 GFADRO COC(=O)c1cccc(NC(=O)C[NH2+][C@@H](C)c2ccc(Br)s2)n1 ZINC000469981511 565033786 /nfs/dbraw/zinc/03/37/86/565033786.db2.gz IKPXJJGBMVYSBP-VIFPVBQESA-N 1 0 398.282 2.982 20 0 GFADRO C[C@@H]1CCC[N@H+](CCNC(=O)N[C@@H](CO)c2ccc(Br)cc2)C1 ZINC000504080535 565034805 /nfs/dbraw/zinc/03/48/05/565034805.db2.gz ILHKXCJTOOLEBL-CJNGLKHVSA-N 1 0 384.318 2.514 20 0 GFADRO CS[C@H]1CN(C(=O)c2cnn(-c3cccc(Cl)c3)c2C)C[C@H]1[NH+](C)C ZINC000536336105 565035083 /nfs/dbraw/zinc/03/50/83/565035083.db2.gz YNFFNHHYFMNYCT-SJORKVTESA-N 1 0 378.929 2.952 20 0 GFADRO C[C@H]1CCCC[N@@H+]1CCNC(=O)c1cccnc1-n1cc(Br)cn1 ZINC000562632292 565036789 /nfs/dbraw/zinc/03/67/89/565036789.db2.gz PDRMIKCVEYIXOM-ZDUSSCGKSA-N 1 0 392.301 2.634 20 0 GFADRO O=C(Nc1ccc(OCC(F)(F)F)c(Cl)c1)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000504277704 565037194 /nfs/dbraw/zinc/03/71/94/565037194.db2.gz XOYDWJNJJGYZSC-ZDUSSCGKSA-N 1 0 377.794 2.610 20 0 GFADRO C[C@H](CO)[N@@H+]1CCCN(C(=O)c2ccc(Cl)cc2Br)CC1 ZINC000470078044 565037318 /nfs/dbraw/zinc/03/73/18/565037318.db2.gz DJJAVDMGGKQPTH-LLVKDONJSA-N 1 0 375.694 2.631 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)N1CCN(Cc2ccc(Cl)s2)CC1 ZINC000504310410 565037851 /nfs/dbraw/zinc/03/78/51/565037851.db2.gz STTBXFHCJFTSJQ-HUUCEWRRSA-N 1 0 382.961 2.856 20 0 GFADRO C[N@@H+]1CC[C@H](C(=O)NCCOc2ccc(Br)cc2C(F)(F)F)C1 ZINC000536551721 565040198 /nfs/dbraw/zinc/04/01/98/565040198.db2.gz BZLMRQYFJGFQEN-JTQLQIEISA-N 1 0 395.219 2.915 20 0 GFADRO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)c2ccc(Br)cc2)C1 ZINC000470212456 565041538 /nfs/dbraw/zinc/04/15/38/565041538.db2.gz VLRJVYQHHFCXFA-AWEZNQCLSA-N 1 0 379.298 2.822 20 0 GFADRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)c2ccc(Br)cc2N)C1 ZINC000470271572 565042172 /nfs/dbraw/zinc/04/21/72/565042172.db2.gz VUSMFWVRWKMBMI-AWEZNQCLSA-N 1 0 384.318 2.604 20 0 GFADRO CN1CCN([C@H](CNC(=O)CC2(C(F)(F)F)CC2)c2cccs2)CC1 ZINC000562879465 565046342 /nfs/dbraw/zinc/04/63/42/565046342.db2.gz MGRKOLJNCFOWKG-CYBMUJFWSA-N 1 0 375.460 2.885 20 0 GFADRO C[NH+](C)CCn1ccc(NC(=O)Nc2ccc(Br)c(C3CC3)n2)n1 ZINC000562918954 565047642 /nfs/dbraw/zinc/04/76/42/565047642.db2.gz AEJPFJRSBNTXGT-UHFFFAOYSA-N 1 0 393.289 3.124 20 0 GFADRO CN(Cc1csc(Br)c1)C(=O)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000562960044 565049388 /nfs/dbraw/zinc/04/93/88/565049388.db2.gz JMJVFGAGSWRQNV-CYBMUJFWSA-N 1 0 383.315 2.904 20 0 GFADRO C[C@H](CC[S@](C)=O)[NH2+][C@@H](C)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000536911996 565050044 /nfs/dbraw/zinc/05/00/44/565050044.db2.gz WQDYPKMXLLLJKT-YPCHGGDPSA-N 1 0 386.583 2.669 20 0 GFADRO O=C(NCC[NH2+]C[C@H](O)COc1ccccc1Cl)c1ccc(Cl)cc1 ZINC000562987514 565050550 /nfs/dbraw/zinc/05/05/50/565050550.db2.gz YBTMHZYQYQYDCX-HNNXBMFYSA-N 1 0 383.275 2.753 20 0 GFADRO O[C@H](C[NH2+]CCc1cn2c(n1)CCCC2)COc1cccc(Br)c1 ZINC000562987304 565050642 /nfs/dbraw/zinc/05/06/42/565050642.db2.gz GCRJZUNWMXRRKA-MRXNPFEDSA-N 1 0 394.313 2.554 20 0 GFADRO CC(C)[N@@H+]1CCC[C@H](NC(=O)c2cc(Br)c3c(c2)OCCO3)C1 ZINC000470692567 565052908 /nfs/dbraw/zinc/05/29/08/565052908.db2.gz GWWRINKJKOTPOQ-ZDUSSCGKSA-N 1 0 383.286 2.823 20 0 GFADRO C[C@H](NC(=O)[C@H]1CC[NH2+][C@H]1C)c1nc(-c2ccc(Br)cc2)no1 ZINC000563090435 565055321 /nfs/dbraw/zinc/05/53/21/565055321.db2.gz QQHLFJKKFLDTOX-KWBADKCTSA-N 1 0 379.258 2.674 20 0 GFADRO COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)N1C[C@H](SC)[C@@H]([NH+](C)C)C1 ZINC000537276563 565056281 /nfs/dbraw/zinc/05/62/81/565056281.db2.gz UVPVEMDMILMPGF-NUTKFTJISA-N 1 0 385.961 2.961 20 0 GFADRO O=S(=O)(NCCC[NH2+]Cc1ccc2c(n1)CCC2)c1ccccc1Cl ZINC000563118059 565056485 /nfs/dbraw/zinc/05/64/85/565056485.db2.gz OSMHBROHVLUGOC-UHFFFAOYSA-N 1 0 379.913 2.682 20 0 GFADRO C[C@@H](CCC[NH3+])NC(=O)C1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000563117740 565056543 /nfs/dbraw/zinc/05/65/43/565056543.db2.gz VFPBRFMGDVHCQE-ZDUSSCGKSA-N 1 0 396.329 2.545 20 0 GFADRO C[NH+](C)[C@@]1(CNC(=O)N[C@H]2CCN(c3ccc(Cl)cc3)C2)CCSC1 ZINC000537371592 565057853 /nfs/dbraw/zinc/05/78/53/565057853.db2.gz KCFKDZWWBBOTIM-MAUKXSAKSA-N 1 0 382.961 2.655 20 0 GFADRO COc1cc(C)nc(C[NH2+]C[C@@H](O)COc2ccccc2Br)c1 ZINC000537466364 565058966 /nfs/dbraw/zinc/05/89/66/565058966.db2.gz YBNQBKWSGJCMSV-CQSZACIVSA-N 1 0 381.270 2.691 20 0 GFADRO CN1CC[NH+](CCC(C)(C)NC(=O)c2cc(F)c(Cl)c(N)c2Cl)CC1 ZINC000635812156 565076491 /nfs/dbraw/zinc/07/64/91/565076491.db2.gz QDLBUVBOALWLNL-UHFFFAOYSA-N 1 0 391.318 2.861 20 0 GFADRO CC[C@H](N[C@H]1CC[N@H+](CC2CC2)C1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000684612149 565076780 /nfs/dbraw/zinc/07/67/80/565076780.db2.gz QNQDTCGYSCJWGG-RDJZCZTQSA-N 1 0 385.961 2.773 20 0 GFADRO CC[C@@H](N[C@H]1CC[N@H+](CC2CC2)C1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000684612147 565076997 /nfs/dbraw/zinc/07/69/97/565076997.db2.gz QNQDTCGYSCJWGG-DOTOQJQBSA-N 1 0 385.961 2.773 20 0 GFADRO CC1(C)CC[N@H+](CC(=O)N(CCO)Cc2cc(Br)cs2)C1 ZINC000584359991 565077344 /nfs/dbraw/zinc/07/73/44/565077344.db2.gz UDEIADOEKXQKBS-UHFFFAOYSA-N 1 0 375.332 2.563 20 0 GFADRO C[C@@H]([NH2+][C@H]1CCC(F)(F)C1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000684677693 565078986 /nfs/dbraw/zinc/07/89/86/565078986.db2.gz CUWJWBGYXAOYTF-SCZZXKLOSA-N 1 0 383.258 2.935 20 0 GFADRO COc1ccc(F)cc1C[NH2+][C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000584443968 565079878 /nfs/dbraw/zinc/07/98/78/565079878.db2.gz YZCWIVWBCLIRFX-OAHLLOKOSA-N 1 0 384.498 2.839 20 0 GFADRO C[C@]1(C(=O)NCc2cc(Cl)cc(I)c2)CCC[NH2+]C1 ZINC000584470907 565083006 /nfs/dbraw/zinc/08/30/06/565083006.db2.gz OQGLOVIMMQLOKA-AWEZNQCLSA-N 1 0 392.668 2.951 20 0 GFADRO C[C@H](C(=O)N1CCN([C@@H](C)c2ccc(Br)cc2)CC1)C1C[NH2+]C1 ZINC000584527870 565085842 /nfs/dbraw/zinc/08/58/42/565085842.db2.gz MUVUKWHIPSCDLS-KBPBESRZSA-N 1 0 380.330 2.510 20 0 GFADRO FC(F)(F)c1ccc(I)c(N2CC(n3ccnc3)C2)n1 ZINC000584570779 565087993 /nfs/dbraw/zinc/08/79/93/565087993.db2.gz HFZXFHKUVOTLIM-UHFFFAOYSA-N 1 0 394.138 2.963 20 0 GFADRO CC[N@H+](C)C[C@H](O)CN(C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000584568203 565088167 /nfs/dbraw/zinc/08/81/67/565088167.db2.gz OAVGZOCSIQYYQU-LBPRGKRZSA-N 1 0 381.826 2.542 20 0 GFADRO O=C(N[C@H]1C[C@@H]([NH+]2CCCC2)C1)c1ccc2cncc(Br)c2n1 ZINC000636100855 565090236 /nfs/dbraw/zinc/09/02/36/565090236.db2.gz JDJHVVKKZVYLQY-BETUJISGSA-N 1 0 375.270 2.749 20 0 GFADRO COc1ccc([C@H](C)[NH2+]Cc2ccc(S(=O)(=O)CCO)cc2)cc1Cl ZINC000584695356 565091868 /nfs/dbraw/zinc/09/18/68/565091868.db2.gz WPXJXPPXVGVUBG-ZDUSSCGKSA-N 1 0 383.897 2.965 20 0 GFADRO O=C(NCCNc1ncc(C(F)(F)F)cc1Cl)[C@H]1CCC[N@@H+]1C1CC1 ZINC000584713674 565093150 /nfs/dbraw/zinc/09/31/50/565093150.db2.gz NQCSPORINKJTEX-CYBMUJFWSA-N 1 0 376.810 2.909 20 0 GFADRO C[NH+](C)CCC[C@@H]1CN(C(=O)c2cc(F)c(Cl)c(N)c2Cl)CCO1 ZINC000636233665 565100115 /nfs/dbraw/zinc/10/01/15/565100115.db2.gz XVXPITXTVRLKIP-SNVBAGLBSA-N 1 0 378.275 2.898 20 0 GFADRO Brc1ccccc1-n1cc(C[N@@H+]2CC[C@@H]([C@H]3CCOC3)C2)nn1 ZINC000584821364 565100321 /nfs/dbraw/zinc/10/03/21/565100321.db2.gz CWJFUUGDBLKRIZ-KGLIPLIRSA-N 1 0 377.286 2.888 20 0 GFADRO C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)NCC12CCC[NH+]1CCC2 ZINC000614227680 565102552 /nfs/dbraw/zinc/10/25/52/565102552.db2.gz CCOMKLOHQQVBIM-LBPRGKRZSA-N 1 0 384.307 2.856 20 0 GFADRO OC[C@H](C[NH2+]Cc1cc2n(n1)CCC2)Cc1cc(Br)ccc1F ZINC000657483309 565102810 /nfs/dbraw/zinc/10/28/10/565102810.db2.gz IGAZAPQKZAGOHY-LBPRGKRZSA-N 1 0 382.277 2.672 20 0 GFADRO OC[C@H](C[NH2+]Cc1cnn2c1CCC2)Cc1cc(Br)ccc1F ZINC000657483050 565103163 /nfs/dbraw/zinc/10/31/63/565103163.db2.gz FKFFNLVGAKFZED-LBPRGKRZSA-N 1 0 382.277 2.672 20 0 GFADRO OC[C@@H](C[NH2+]Cc1cnc2n1CCC2)Cc1cc(Br)ccc1F ZINC000657484750 565103241 /nfs/dbraw/zinc/10/32/41/565103241.db2.gz UFNGJJFNZIIQJQ-GFCCVEGCSA-N 1 0 382.277 2.672 20 0 GFADRO O=C(CSCc1ccc(Cl)cc1Cl)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000585682870 565105085 /nfs/dbraw/zinc/10/50/85/565105085.db2.gz VGQCIPJPNMIABB-OAHLLOKOSA-N 1 0 388.364 2.733 20 0 GFADRO CO[C@H](C[NH2+]Cc1ncc(Br)cc1Br)[C@@H]1CCOC1 ZINC000657540383 565107539 /nfs/dbraw/zinc/10/75/39/565107539.db2.gz HSSDRCWLOWMBFC-NOZJJQNGSA-N 1 0 394.107 2.748 20 0 GFADRO COc1sc(C[NH2+]CCC2(CS(C)(=O)=O)CC2)cc1Br ZINC000657547686 565107715 /nfs/dbraw/zinc/10/77/15/565107715.db2.gz JUWICBCJTLTBMV-UHFFFAOYSA-N 1 0 382.345 2.824 20 0 GFADRO COc1cccc(C[NH2+]CCNC(=O)c2ccc(Br)cn2)c1F ZINC000657563199 565108557 /nfs/dbraw/zinc/10/85/57/565108557.db2.gz IHCIZIFCTDEOCP-UHFFFAOYSA-N 1 0 382.233 2.511 20 0 GFADRO O=C(NCC[C@H](O)C(F)F)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000636496810 565113267 /nfs/dbraw/zinc/11/32/67/565113267.db2.gz AXGXIOBEJWPRBX-HNNXBMFYSA-N 1 0 375.847 2.620 20 0 GFADRO COc1cc(C[NH2+][C@H]2CC[C@@H](C)S(=O)(=O)C2)ccc1OCC(F)(F)F ZINC000657636677 565115663 /nfs/dbraw/zinc/11/56/63/565115663.db2.gz HNQIKKCTMARZFL-YPMHNXCESA-N 1 0 381.416 2.692 20 0 GFADRO COC(=O)C1(C[NH2+]Cc2ncc(I)s2)CCCC1 ZINC000586778450 565116118 /nfs/dbraw/zinc/11/61/18/565116118.db2.gz PAKQVHNHYZMKKI-UHFFFAOYSA-N 1 0 380.251 2.571 20 0 GFADRO CCO[C@@H]1C[C@@](CO)([NH2+]Cc2cn3ccc(Br)cc3n2)C1(C)C ZINC000685621442 565117050 /nfs/dbraw/zinc/11/70/50/565117050.db2.gz VBPHMIPIEGUNCP-PBHICJAKSA-N 1 0 382.302 2.753 20 0 GFADRO C[C@@]1(CC[NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)CC1(F)F ZINC000657669303 565118365 /nfs/dbraw/zinc/11/83/65/565118365.db2.gz CVDWPLCYDPMSGD-GFCCVEGCSA-N 1 0 383.258 2.622 20 0 GFADRO O=C(CCn1cc(Br)cn1)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000614523626 565118428 /nfs/dbraw/zinc/11/84/28/565118428.db2.gz NQPANIRRPWBXGY-CQSZACIVSA-N 1 0 381.274 2.582 20 0 GFADRO COC[C@@]1(C[NH2+][C@@H](C)Cn2cc(Br)cn2)OCCc2ccccc21 ZINC000685655668 565118970 /nfs/dbraw/zinc/11/89/70/565118970.db2.gz KHXFJLYJRIBQKB-KBXCAEBGSA-N 1 0 394.313 2.738 20 0 GFADRO C[C@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH2+]C[C@@H]1CCC(=O)N1 ZINC000657711218 565122528 /nfs/dbraw/zinc/12/25/28/565122528.db2.gz JPMRGIWNTSZCTD-KOLCDFICSA-N 1 0 377.794 2.944 20 0 GFADRO C[NH+]1CCC(CNC(=O)N[C@@H]2[C@H]3Cc4c(cccc4Br)[C@@H]23)CC1 ZINC000636731880 565123735 /nfs/dbraw/zinc/12/37/35/565123735.db2.gz DIJAFLFZMZIZRS-USXIJHARSA-N 1 0 378.314 2.728 20 0 GFADRO CN(C)CC[N@H+](C)CCCNC(=O)c1c[nH]c2ccc(Br)cc12 ZINC000685861798 565127334 /nfs/dbraw/zinc/12/73/34/565127334.db2.gz FJYFUIYIEPTVNT-UHFFFAOYSA-N 1 0 381.318 2.544 20 0 GFADRO OCC1([C@H]([NH2+]Cc2cc3c(cc2Br)OCO3)[C@@H]2CCCO2)CCC1 ZINC000685851943 565127849 /nfs/dbraw/zinc/12/78/49/565127849.db2.gz ULHIVHVMGVIBTA-WMLDXEAASA-N 1 0 398.297 2.978 20 0 GFADRO CC[C@H](Cc1ccc(Br)cc1)[NH2+]CCN1CCN(C(C)=O)CC1 ZINC000657836617 565132181 /nfs/dbraw/zinc/13/21/81/565132181.db2.gz UXHPHTMXKVMVDB-GOSISDBHSA-N 1 0 382.346 2.524 20 0 GFADRO CC1(C)[C@H]2CCC[C@H]2[C@@H]1[NH2+]Cc1ccc(S(=O)(=O)N2CCOCC2)s1 ZINC000657833992 565132273 /nfs/dbraw/zinc/13/22/73/565132273.db2.gz HZZFSZZLNMCLKB-VYDXJSESSA-N 1 0 384.567 2.683 20 0 GFADRO COC[C@H](CNC(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1)OC ZINC000637033785 565134960 /nfs/dbraw/zinc/13/49/60/565134960.db2.gz APIXHQVELMCGOA-SWLSCSKDSA-N 1 0 378.300 2.557 20 0 GFADRO C[NH+]1CCC2(CCN(C(=O)c3cc(Br)cc4[nH]c(=O)[nH]c43)C2)CC1 ZINC000614964462 565140501 /nfs/dbraw/zinc/14/05/01/565140501.db2.gz ZRQUDFCCQYOPQF-UHFFFAOYSA-N 1 0 393.285 2.589 20 0 GFADRO C[C@@H]([NH2+]Cc1ccc(S(=O)(=O)CCO)cc1)c1cc2ccncc2s1 ZINC000657991719 565143500 /nfs/dbraw/zinc/14/35/00/565143500.db2.gz XJLWQTFQQVFDHQ-CYBMUJFWSA-N 1 0 376.503 2.913 20 0 GFADRO COCC[N@H+](C)CCNC(=O)c1cc(C)nc2ccc(Br)cc21 ZINC000588932798 565145314 /nfs/dbraw/zinc/14/53/14/565145314.db2.gz OWGKYGNPYZZCGF-UHFFFAOYSA-N 1 0 380.286 2.614 20 0 GFADRO COCC[N@H+](C)CCNC(=O)NCC(C)(C)c1ccc(Br)cc1 ZINC000588970111 565146331 /nfs/dbraw/zinc/14/63/31/565146331.db2.gz AABSKJMBWFZYHS-UHFFFAOYSA-N 1 0 386.334 2.604 20 0 GFADRO COc1ccc(C[C@H](CO)C[NH2+][C@@H]2COC3(CCC3)C2)cc1Br ZINC000658028473 565146981 /nfs/dbraw/zinc/14/69/81/565146981.db2.gz IUGOXIFACUWAMD-GJZGRUSLSA-N 1 0 384.314 2.910 20 0 GFADRO CO[C@H](C[NH2+][C@H](C)CC(=O)Nc1ccc(Br)cc1)[C@H]1CCOC1 ZINC000658074252 565149501 /nfs/dbraw/zinc/14/95/01/565149501.db2.gz SBDZGMSAIXGLDX-DVOMOZLQSA-N 1 0 385.302 2.807 20 0 GFADRO COc1ccc(C[C@@H](C)[NH2+]CCNC(=O)c2ccc(Br)cn2)cc1 ZINC000658093049 565150197 /nfs/dbraw/zinc/15/01/97/565150197.db2.gz RXWBDSDXADZKLI-CYBMUJFWSA-N 1 0 392.297 2.803 20 0 GFADRO OCCO[C@]1(C[NH2+][C@H](Cc2ccccc2Br)C2CC2)CCOC1 ZINC000658147269 565153430 /nfs/dbraw/zinc/15/34/30/565153430.db2.gz YEPXIOOMCOVRCD-MSOLQXFVSA-N 1 0 384.314 2.528 20 0 GFADRO C[N@@H+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)CCc1cc(Br)ccc1F ZINC000615271900 565154031 /nfs/dbraw/zinc/15/40/31/565154031.db2.gz ZLYLQYPSAOJUGE-SJORKVTESA-N 1 0 399.304 2.842 20 0 GFADRO C[N@@H+]1CCC[C@@H]1[C@H]1COCCN1C(=O)c1cc(-c2ccc(Cl)s2)on1 ZINC000615261894 565154601 /nfs/dbraw/zinc/15/46/01/565154601.db2.gz FDDWIPSYPLMNJA-CHWSQXEVSA-N 1 0 381.885 2.992 20 0 GFADRO C[N@@H+]1CCC[C@@H]1[C@H]1COCCN1C(=O)c1cn2cc(Cl)cc(Cl)c2n1 ZINC000615266552 565155380 /nfs/dbraw/zinc/15/53/80/565155380.db2.gz OCCCQFWFZDYNCA-HUUCEWRRSA-N 1 0 383.279 2.576 20 0 GFADRO CN1CC[NH+](CC2CN(C(=O)c3c(Cl)cc(Cl)cc3Cl)C2)CC1 ZINC000615278750 565155991 /nfs/dbraw/zinc/15/59/91/565155991.db2.gz JZDWVMKCRZUCNY-UHFFFAOYSA-N 1 0 376.715 2.966 20 0 GFADRO CN(Cc1nncn1C)C(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000637475780 565158837 /nfs/dbraw/zinc/15/88/37/565158837.db2.gz WSBYWTPCWGOERJ-CQSZACIVSA-N 1 0 385.299 2.566 20 0 GFADRO CCS(=O)(=O)C1(C[NH2+][C@H](C)CC(=O)Nc2cc(Cl)ccc2OC)CC1 ZINC000658301066 565158868 /nfs/dbraw/zinc/15/88/68/565158868.db2.gz KOTCDPQZKJRLME-GFCCVEGCSA-N 1 0 388.917 2.623 20 0 GFADRO CCS(=O)(=O)C1(C[NH2+][C@@H](C)CC(=O)Nc2cc(Cl)ccc2OC)CC1 ZINC000658301075 565159148 /nfs/dbraw/zinc/15/91/48/565159148.db2.gz KOTCDPQZKJRLME-LBPRGKRZSA-N 1 0 388.917 2.623 20 0 GFADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@@H](O)[C@@H](C)c1ccccc1 ZINC000658340607 565160225 /nfs/dbraw/zinc/16/02/25/565160225.db2.gz PGFPHJOFGRDTFO-JKIFEVAISA-N 1 0 379.298 2.754 20 0 GFADRO CC[C@H](Cc1ccc(Br)cc1)[NH2+]C1CCC2(CC1)NC(=O)NC2=O ZINC000658323165 565160247 /nfs/dbraw/zinc/16/02/47/565160247.db2.gz IFAWETCGJZLTJZ-KSTDHSDQSA-N 1 0 394.313 2.881 20 0 GFADRO C[NH2+]C[C@@H]1CCCN(S(=O)(=O)c2cc(Cl)ccc2OC(F)(F)F)C1 ZINC000658359987 565161494 /nfs/dbraw/zinc/16/14/94/565161494.db2.gz IKYJDJQDPWBXQR-JTQLQIEISA-N 1 0 386.823 2.859 20 0 GFADRO CCCOc1ccc(Br)cc1S(=O)(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000658370179 565162446 /nfs/dbraw/zinc/16/24/46/565162446.db2.gz CVOMKUZKNHHCAA-OLZOCXBDSA-N 1 0 391.331 2.786 20 0 GFADRO [NH3+]C[C@H]1CCCC[C@H]1NS(=O)(=O)Cc1cc(F)ccc1Br ZINC000658370357 565163109 /nfs/dbraw/zinc/16/31/09/565163109.db2.gz RTNXQCRPYLUSOR-QMTHXVAHSA-N 1 0 379.295 2.525 20 0 GFADRO C[NH+](C)CC1CN(C(=O)Cc2csc(COc3ccc(Cl)cc3)n2)C1 ZINC000615511801 565163943 /nfs/dbraw/zinc/16/39/43/565163943.db2.gz GGZKKYNYBNOOKR-UHFFFAOYSA-N 1 0 379.913 2.938 20 0 GFADRO O=S(=O)(c1cc(Cl)cc(Br)c1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000658379730 565164745 /nfs/dbraw/zinc/16/47/45/565164745.db2.gz XLTGBTQHVFQCAM-AWEZNQCLSA-N 1 0 393.734 2.867 20 0 GFADRO CCCOc1ccc(Br)cc1S(=O)(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000658383985 565165770 /nfs/dbraw/zinc/16/57/70/565165770.db2.gz RKCLAPMADWLUFA-WDEREUQCSA-N 1 0 379.320 2.642 20 0 GFADRO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NS(=O)(=O)c2sccc2C)cc1F ZINC000658392308 565167230 /nfs/dbraw/zinc/16/72/30/565167230.db2.gz FYRCRSISEBCSRD-ZFWWWQNUSA-N 1 0 384.498 2.628 20 0 GFADRO O=S(=O)(N[C@@H]1CC[NH2+]C2(CCC2)C1)c1cc(Br)ccc1F ZINC000658401730 565168428 /nfs/dbraw/zinc/16/84/28/565168428.db2.gz HXOZYJPXVCVREZ-LLVKDONJSA-N 1 0 377.279 2.541 20 0 GFADRO Cc1cc(Br)c(NC(=O)C(=O)NCC[C@H](C)[NH+](C)C)cc1Cl ZINC000658429746 565169047 /nfs/dbraw/zinc/16/90/47/565169047.db2.gz WCKBJNWZNMIZIU-JTQLQIEISA-N 1 0 390.709 2.806 20 0 GFADRO COC1CC[NH+](CCNC(=O)NCc2ccc(C)c(Br)c2)CC1 ZINC000637775981 565172941 /nfs/dbraw/zinc/17/29/41/565172941.db2.gz WOUPCCXBXNWRKP-UHFFFAOYSA-N 1 0 384.318 2.668 20 0 GFADRO O=C(CCn1cc(Br)cn1)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000615760012 565173029 /nfs/dbraw/zinc/17/30/29/565173029.db2.gz CHNKPGMVXXVSTC-KRWDZBQOSA-N 1 0 391.313 2.817 20 0 GFADRO Cc1cc(C[NH3+])oc1C(=O)N(C)CC(=O)Nc1ccccc1Br ZINC000637884012 565175638 /nfs/dbraw/zinc/17/56/38/565175638.db2.gz KZSPIOVFJQUJSN-UHFFFAOYSA-N 1 0 380.242 2.520 20 0 GFADRO C[N@@H+]1C[C@H]2CCN(C(=O)c3ccc(I)c(Cl)c3)[C@H]2C1 ZINC000590043736 565175789 /nfs/dbraw/zinc/17/57/89/565175789.db2.gz DUWAPSQQBMTXHG-MFKMUULPSA-N 1 0 390.652 2.721 20 0 GFADRO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)c2ccc(Cl)c(I)c2)C1 ZINC000590046631 565176224 /nfs/dbraw/zinc/17/62/24/565176224.db2.gz LDRTWXRASFLSFV-GWCFXTLKSA-N 1 0 390.652 2.721 20 0 GFADRO CO[C@@H]1C[NH2+][C@](C)(C(=O)N[C@H]2C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)C1 ZINC000637929318 565176727 /nfs/dbraw/zinc/17/67/27/565176727.db2.gz WIBGSYKGMXJFOU-YHMTXAQFSA-N 1 0 376.341 2.779 20 0 GFADRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(Cc2ccc(S(N)(=O)=O)c(Cl)c2)C1 ZINC000637950182 565177448 /nfs/dbraw/zinc/17/74/48/565177448.db2.gz BTDKXGZHFVWJRS-IJEWVQPXSA-N 1 0 385.961 2.825 20 0 GFADRO O=C(NCCOc1cccc(Br)c1)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000615906492 565179693 /nfs/dbraw/zinc/17/96/93/565179693.db2.gz UHQLIQDDWTXJIQ-HOTGVXAUSA-N 1 0 382.302 2.754 20 0 GFADRO CCn1ccnc1[C@@H](C)NC(=O)c1cc(Br)cc2c1OCCO2 ZINC000615960134 565180958 /nfs/dbraw/zinc/18/09/58/565180958.db2.gz JRZXPTSEBNTMHW-SNVBAGLBSA-N 1 0 380.242 2.928 20 0 GFADRO Cc1sc([C@@H](C)NC(=O)CN2CC[NH2+]CC2)nc1-c1ccc(Cl)cc1 ZINC000638035939 565181965 /nfs/dbraw/zinc/18/19/65/565181965.db2.gz VYPSESXYPWSLRB-GFCCVEGCSA-N 1 0 378.929 2.854 20 0 GFADRO Cc1[nH]nc(NC(=O)CC[NH+]2CCN(c3ccccc3)CC2)c1Br ZINC000616005980 565184859 /nfs/dbraw/zinc/18/48/59/565184859.db2.gz FSSQJRHMQZRPSI-UHFFFAOYSA-N 1 0 392.301 2.631 20 0 GFADRO Cc1cc(Br)cc(NC(=O)[C@@H](N)C[N@@H+](C)Cc2ccccc2)c1N ZINC000638168565 565187814 /nfs/dbraw/zinc/18/78/14/565187814.db2.gz MGPPBKHCZHNVOK-HNNXBMFYSA-N 1 0 391.313 2.738 20 0 GFADRO C[N@H+](CC(=O)N[C@](C)(CO)c1cc(Cl)cc(Cl)c1)[C@@H]1CCSC1 ZINC000616081097 565189563 /nfs/dbraw/zinc/18/95/63/565189563.db2.gz SCSPKJSTKAJTNA-GDBMZVCRSA-N 1 0 377.337 2.754 20 0 GFADRO [NH3+]CC[C@H](NC(=O)[C@H]1[C@@H]2c3ccc(Br)cc3C[C@H]12)C(F)(F)F ZINC000638265942 565189988 /nfs/dbraw/zinc/18/99/88/565189988.db2.gz HGCYDWSVXGYBHK-WUHRBBMRSA-N 1 0 377.204 2.731 20 0 GFADRO CN1CC[C@H]([NH2+]CCNC(=O)C2CC2)C[C@H]1c1ccc(Br)cc1 ZINC000638296042 565190960 /nfs/dbraw/zinc/19/09/60/565190960.db2.gz DFGFWKVQGXGELS-IRXDYDNUSA-N 1 0 380.330 2.700 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+]C[C@@H](c2ccccc2Cl)N2CCCC2)o1 ZINC000638297022 565191026 /nfs/dbraw/zinc/19/10/26/565191026.db2.gz FTDKFXVORZAVAY-INIZCTEOSA-N 1 0 383.901 2.507 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+]C2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)o1 ZINC000638335598 565192801 /nfs/dbraw/zinc/19/28/01/565192801.db2.gz PRIAZEAPLZSKAB-YUMQZZPRSA-N 1 0 394.337 2.926 20 0 GFADRO C[C@@H](COc1ccccc1C(F)(F)F)[NH2+]Cc1ccc(S(N)(=O)=O)o1 ZINC000638411506 565195117 /nfs/dbraw/zinc/19/51/17/565195117.db2.gz OHNFWGCMPNGXNH-JTQLQIEISA-N 1 0 378.372 2.503 20 0 GFADRO COc1ncc(C(=O)N2CCCC[C@@H]2[C@@H]2CCC[NH2+]C2)cc1Br ZINC000658943482 565195371 /nfs/dbraw/zinc/19/53/71/565195371.db2.gz UCFQIQLGQHGYPJ-IUODEOHRSA-N 1 0 382.302 2.847 20 0 GFADRO COc1ncc(C(=O)N2CCCC[C@H]2[C@@H]2CCC[NH2+]C2)cc1Br ZINC000658943481 565195562 /nfs/dbraw/zinc/19/55/62/565195562.db2.gz UCFQIQLGQHGYPJ-DOMZBBRYSA-N 1 0 382.302 2.847 20 0 GFADRO C[C@H](C[C@@H]1CCCC(=O)N1)[NH2+]Cc1cc(Br)c2c(c1)OCCO2 ZINC000638440557 565196657 /nfs/dbraw/zinc/19/66/57/565196657.db2.gz SNKNFRINVCLQAR-YPMHNXCESA-N 1 0 383.286 2.757 20 0 GFADRO C[C@H](Cn1cncn1)[NH2+][C@@H]1CCN(C)[C@@H](c2ccc(Br)cc2)C1 ZINC000638431747 565196676 /nfs/dbraw/zinc/19/66/76/565196676.db2.gz VWKOBMRPYINXAC-KBRIMQKVSA-N 1 0 378.318 2.854 20 0 GFADRO C[C@@H]1CCN(C(=O)[C@@H]2CCCN2C(=O)c2ccc(Cl)c(Cl)c2)C[C@@H]1[NH3+] ZINC000658970413 565197269 /nfs/dbraw/zinc/19/72/69/565197269.db2.gz HQTFTEGMAQSUIL-RLCCDNCMSA-N 1 0 384.307 2.794 20 0 GFADRO C[C@H](C[C@@H]1CCCC(=O)N1)[NH2+]CCCNC(=O)c1ccc(Br)cc1 ZINC000638489420 565197925 /nfs/dbraw/zinc/19/79/25/565197925.db2.gz NBZHHZLWQFMMFY-CJNGLKHVSA-N 1 0 396.329 2.606 20 0 GFADRO O=C(C[C@@H]1COCC[NH2+]1)N1CC[C@@H](Sc2ccc(Br)cc2)C1 ZINC000638471964 565198008 /nfs/dbraw/zinc/19/80/08/565198008.db2.gz CQJDJFRSVZCKCI-UKRRQHHQSA-N 1 0 385.327 2.521 20 0 GFADRO CN(CC(C)(C)[NH3+])C(=O)Nc1cc(Br)cc(C(=O)N2CCCC2)c1 ZINC000659012108 565199222 /nfs/dbraw/zinc/19/92/22/565199222.db2.gz OUQSPMZWVRXKLS-UHFFFAOYSA-N 1 0 397.317 2.886 20 0 GFADRO C[NH2+]C[C@H](C)NC(=O)Nc1cc(OC)c(Br)cc1Br ZINC000659012389 565199281 /nfs/dbraw/zinc/19/92/81/565199281.db2.gz VIKYUILBJFIGHR-ZETCQYMHSA-N 1 0 395.095 2.950 20 0 GFADRO [NH3+]CC12CC(C1)CN2C(=O)Nc1nnc(-c2cccc(Br)c2)s1 ZINC000659009465 565199516 /nfs/dbraw/zinc/19/95/16/565199516.db2.gz MELXYVWJGHHCAZ-UHFFFAOYSA-N 1 0 394.298 2.923 20 0 GFADRO CN1CC[C@@H]([NH2+]CCCn2cncn2)C[C@@H]1c1ccc(Br)cc1 ZINC000638530401 565200381 /nfs/dbraw/zinc/20/03/81/565200381.db2.gz UEKWXUCNNLGBTL-IAGOWNOFSA-N 1 0 378.318 2.856 20 0 GFADRO CC[C@](C)(C[NH2+]CCCNC(=O)c1cc(OC)ccc1Br)OC ZINC000638523418 565200451 /nfs/dbraw/zinc/20/04/51/565200451.db2.gz HEMJTPRGJNVLAF-QGZVFWFLSA-N 1 0 387.318 2.982 20 0 GFADRO Cc1cc(Br)c(Cl)cc1NC(=O)C(=O)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000659076885 565200516 /nfs/dbraw/zinc/20/05/16/565200516.db2.gz HWOZPUXIQMUJDN-BXKDBHETSA-N 1 0 388.693 2.545 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)Cc2ccc(Br)cc2)CC[C@H]1C(F)(F)F ZINC000638551680 565201469 /nfs/dbraw/zinc/20/14/69/565201469.db2.gz WJQBDHAXSDJJBT-WCQYABFASA-N 1 0 379.220 2.977 20 0 GFADRO [NH3+]C1(CNC(=O)CCc2nc3cc(Br)ccc3s2)CCOCC1 ZINC000638541779 565201623 /nfs/dbraw/zinc/20/16/23/565201623.db2.gz XEFXDLPZDVOCQS-UHFFFAOYSA-N 1 0 398.326 2.616 20 0 GFADRO O=C(C[C@H]1COCC[NH2+]1)N[C@@H]1CCCSc2ccc(Br)cc21 ZINC000638586430 565202496 /nfs/dbraw/zinc/20/24/96/565202496.db2.gz SSFHUFKUELLURD-GXTWGEPZSA-N 1 0 385.327 2.871 20 0 GFADRO COc1ncc(Br)cc1CNC(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000638558992 565203304 /nfs/dbraw/zinc/20/33/04/565203304.db2.gz AWNFWRBCWAYQJZ-HNNXBMFYSA-N 1 0 378.270 2.949 20 0 GFADRO C[NH2+]CCOCCNC(=O)c1ccc(Oc2ccc(Br)cc2)nc1 ZINC000638578885 565203446 /nfs/dbraw/zinc/20/34/46/565203446.db2.gz UYCGXRDROVTMGT-UHFFFAOYSA-N 1 0 394.269 2.602 20 0 GFADRO C[C@H](CS(C)(=O)=O)[NH2+][C@H]1CCN(C)[C@H](c2ccc(Br)cc2)C1 ZINC000638590805 565203871 /nfs/dbraw/zinc/20/38/71/565203871.db2.gz RHRHVXHXPRCDBI-KCXAZCMYSA-N 1 0 389.359 2.607 20 0 GFADRO Cc1c(F)c(Br)ccc1C(=O)N1CCOC2(CC[NH+](C)CC2)C1 ZINC000616493413 565204312 /nfs/dbraw/zinc/20/43/12/565204312.db2.gz KXWGCGZCTOYTFT-UHFFFAOYSA-N 1 0 385.277 2.833 20 0 GFADRO CC[C@H]([NH2+]CCN1CCC(O)CC1)c1ccc(I)cc1 ZINC000590780046 565204667 /nfs/dbraw/zinc/20/46/67/565204667.db2.gz AMYNYJNAJKYHRG-INIZCTEOSA-N 1 0 388.293 2.789 20 0 GFADRO Cc1cc(C(=O)NC2(C[NH3+])CCOCC2)nn1-c1ccc(Cl)cc1Cl ZINC000638632537 565205461 /nfs/dbraw/zinc/20/54/61/565205461.db2.gz WNLWZCKPELNXLH-UHFFFAOYSA-N 1 0 383.279 2.725 20 0 GFADRO C[C@@H]1CC[C@@H](NC(=O)c2nn(-c3ccc(F)cc3)cc2Br)C[NH2+]1 ZINC000638643846 565205846 /nfs/dbraw/zinc/20/58/46/565205846.db2.gz COBXEZFWMICYTB-ZYHUDNBSSA-N 1 0 381.249 2.644 20 0 GFADRO C[C@H](NC(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)c1ccc(Br)cc1 ZINC000590845286 565207518 /nfs/dbraw/zinc/20/75/18/565207518.db2.gz DSBVARCVVVSPRP-IAOVAPTHSA-N 1 0 396.329 2.751 20 0 GFADRO COC(=O)[C@H](c1ccc(Cl)c(Cl)c1)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000616752323 565207555 /nfs/dbraw/zinc/20/75/55/565207555.db2.gz ZMRWVIQSFUXYGK-ULQDDVLXSA-N 1 0 387.307 2.739 20 0 GFADRO CC(C)OC[C@H]([NH3+])C(=O)Nc1nc2ccc(OCC(F)(F)F)cc2s1 ZINC000659283313 565210024 /nfs/dbraw/zinc/21/00/24/565210024.db2.gz HKRZLKIPVKAXMU-JTQLQIEISA-N 1 0 377.388 2.928 20 0 GFADRO [NH3+]CCc1nc(C(=O)N2CCc3cc(F)cc(Br)c3C2)cs1 ZINC000638773276 565210179 /nfs/dbraw/zinc/21/01/79/565210179.db2.gz IESBNAZNDLHLKS-UHFFFAOYSA-N 1 0 384.274 2.744 20 0 GFADRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)Cc1csc(-c2cccc(Br)c2)n1 ZINC000638775327 565210772 /nfs/dbraw/zinc/21/07/72/565210772.db2.gz BXBIGNNAKFEJAB-IINYFYTJSA-N 1 0 380.311 2.982 20 0 GFADRO C[C@H]([NH2+]Cc1cnn2cc(Br)cnc12)[C@@H](O)Cc1ccccc1 ZINC000638785776 565211287 /nfs/dbraw/zinc/21/12/87/565211287.db2.gz ZVYZUCVMZFJNHY-LRDDRELGSA-N 1 0 375.270 2.574 20 0 GFADRO COc1ccc(CCC(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c(Br)c1 ZINC000659304963 565211322 /nfs/dbraw/zinc/21/13/22/565211322.db2.gz XLTVKNJVMODLJK-JLJPHGGASA-N 1 0 381.314 2.976 20 0 GFADRO CC(C)C[N@@H+]1CCC[C@H](CNCc2cnn3cc(Br)cnc23)C1 ZINC000638787880 565211964 /nfs/dbraw/zinc/21/19/64/565211964.db2.gz NJAREINJGFBHHT-CQSZACIVSA-N 1 0 380.334 2.949 20 0 GFADRO COc1ccc(Br)cc1C(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000638782281 565212023 /nfs/dbraw/zinc/21/20/23/565212023.db2.gz RDTWQQJEPSCLRO-HNNXBMFYSA-N 1 0 397.313 2.688 20 0 GFADRO C[C@@H]1CCCN(C(=O)c2cc(Br)cc3c2OCCO3)[C@@H]1CC[NH3+] ZINC000659330064 565213047 /nfs/dbraw/zinc/21/30/47/565213047.db2.gz ZQJMWDHJSAZLNE-BXUZGUMPSA-N 1 0 383.286 2.810 20 0 GFADRO CN(C[C@@H](O)COc1cc(Cl)cc(Cl)c1)C(=O)CC[C@H]1CC[NH2+]C1 ZINC000638828383 565213078 /nfs/dbraw/zinc/21/30/78/565213078.db2.gz SPJCCGMMNPEMNK-SWLSCSKDSA-N 1 0 375.296 2.581 20 0 GFADRO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)c2nscc2Br)cc1 ZINC000659354346 565214133 /nfs/dbraw/zinc/21/41/33/565214133.db2.gz ZLLDIQGMFIUOSX-JSGCOSHPSA-N 1 0 396.310 2.790 20 0 GFADRO O=C(N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1)c1ncccc1Br ZINC000659350245 565214536 /nfs/dbraw/zinc/21/45/36/565214536.db2.gz RUFBDKCSCVLIHM-NHYWBVRUSA-N 1 0 396.235 2.998 20 0 GFADRO C[C@@H](C[C@H]1CCCC(=O)N1)[NH2+]Cc1nnc(-c2ccc(Br)cc2)[nH]1 ZINC000638886224 565215703 /nfs/dbraw/zinc/21/57/03/565215703.db2.gz KCZAHOOCDDHSBW-SMDDNHRTSA-N 1 0 392.301 2.771 20 0 GFADRO [NH3+][C@@H]1CN(C(=O)Cc2csc(COc3ccc(Cl)cc3)n2)CC[C@H]1F ZINC000659390624 565215815 /nfs/dbraw/zinc/21/58/15/565215815.db2.gz YKFKUMOYEZJBGN-HUUCEWRRSA-N 1 0 383.876 2.816 20 0 GFADRO C[N@@H+]1CC[C@@H](CNC(=O)CSc2nnc(-c3cccs3)n2C2CC2)C1 ZINC000591100885 565216327 /nfs/dbraw/zinc/21/63/27/565216327.db2.gz KCAFOGMWBCJFFR-LBPRGKRZSA-N 1 0 377.539 2.502 20 0 GFADRO Cc1nn(-c2ccc(C(=O)N3C[C@@H](C[NH3+])[C@H](C)C3)cc2)c(C)c1Br ZINC000638893132 565217197 /nfs/dbraw/zinc/21/71/97/565217197.db2.gz RBFUINVSOCKHGQ-IAQYHMDHSA-N 1 0 391.313 2.918 20 0 GFADRO C[C@@H](NC(=O)NCC1([NH3+])CCCC1)c1cc2c(cc1Br)OCCO2 ZINC000659439069 565217951 /nfs/dbraw/zinc/21/79/51/565217951.db2.gz CEISKGIRTMEWMO-LLVKDONJSA-N 1 0 398.301 2.852 20 0 GFADRO CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)NCC12CC(C1)C[NH2+]2 ZINC000659477504 565218083 /nfs/dbraw/zinc/21/80/83/565218083.db2.gz JOIIEOZTPIVTDI-PHZWHPFASA-N 1 0 382.302 2.576 20 0 GFADRO [NH3+]C1(CNC(=O)NCc2cnn(-c3ccc(Br)cc3)c2)CCCC1 ZINC000659487023 565219135 /nfs/dbraw/zinc/21/91/35/565219135.db2.gz NECPDLRUOJYMSP-UHFFFAOYSA-N 1 0 392.301 2.706 20 0 GFADRO CC(=O)N[C@@H](CC(=O)NC1(C[NH3+])CCCCC1)c1ccc(Br)cc1 ZINC000639001177 565219717 /nfs/dbraw/zinc/21/97/17/565219717.db2.gz JZIVXZJUOLVAQR-INIZCTEOSA-N 1 0 396.329 2.794 20 0 GFADRO O=C(Nc1nnc(-c2c(F)cccc2F)s1)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000638977179 565219725 /nfs/dbraw/zinc/21/97/25/565219725.db2.gz OOKHCUALUDIEOY-CYBMUJFWSA-N 1 0 378.326 2.964 20 0 GFADRO CC(C)Oc1cc(NC(=O)C2C[C@@H]3C[NH2+]C[C@H](C2)C3=O)ccc1Br ZINC000638975163 565219784 /nfs/dbraw/zinc/21/97/84/565219784.db2.gz XLPKAZNLVSFWJJ-YHWZYXNKSA-N 1 0 395.297 2.990 20 0 GFADRO O=C(Nc1cc(N2CC[NH2+]CC2)ccn1)c1cc(Br)ccc1F ZINC000638987165 565219853 /nfs/dbraw/zinc/21/98/53/565219853.db2.gz MVXZYPYDWAWTDD-UHFFFAOYSA-N 1 0 379.233 2.645 20 0 GFADRO [NH3+]C1(CNC(=O)N2CCO[C@H](c3cccc(Br)c3)C2)CCCC1 ZINC000659570578 565219839 /nfs/dbraw/zinc/21/98/39/565219839.db2.gz IFZPQKGFBFSVOL-HNNXBMFYSA-N 1 0 382.302 2.804 20 0 GFADRO O=C(NC[C@@H]1C[NH2+]CCCO1)N[C@H]1CCCCc2cc(Br)ccc21 ZINC000659548031 565220313 /nfs/dbraw/zinc/22/03/13/565220313.db2.gz CXMOCMMIOPVCQB-RDJZCZTQSA-N 1 0 396.329 2.894 20 0 GFADRO O=C(c1cc(=O)[nH]c2c(Br)cccc12)N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000639021563 565220866 /nfs/dbraw/zinc/22/08/66/565220866.db2.gz HYQDQCCKJGPEJZ-NHYWBVRUSA-N 1 0 390.281 2.917 20 0 GFADRO O=C(c1ccc2cncc(Br)c2n1)N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000639024411 565221040 /nfs/dbraw/zinc/22/10/40/565221040.db2.gz VPUGKSHQHPPNQS-NHYWBVRUSA-N 1 0 375.270 2.606 20 0 GFADRO COC(=O)c1cc(NC(=O)N[C@H]2CC[NH2+][C@@H](C)C2)c(Br)cc1F ZINC000591287328 565222004 /nfs/dbraw/zinc/22/20/04/565222004.db2.gz OABADYCTQFTAIT-IUCAKERBSA-N 1 0 388.237 2.637 20 0 GFADRO COCC[C@@H](Cc1ccco1)[NH2+]Cc1cnn2cc(Br)cnc12 ZINC000639037020 565222123 /nfs/dbraw/zinc/22/21/23/565222123.db2.gz YHNWOWJMHQXAEW-AWEZNQCLSA-N 1 0 379.258 2.822 20 0 GFADRO COc1ccc(NC(=O)NC[C@@H]2CCCC[NH2+]2)c(I)c1 ZINC000591302029 565223003 /nfs/dbraw/zinc/22/30/03/565223003.db2.gz BOCPQFAWTFQOBN-JTQLQIEISA-N 1 0 389.237 2.563 20 0 GFADRO Cc1ccc(I)cc1NC(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000591299819 565223082 /nfs/dbraw/zinc/22/30/82/565223082.db2.gz ZMXWVZWNIBKQSF-BXUZGUMPSA-N 1 0 385.249 2.815 20 0 GFADRO Cn1cc(CC[NH2+]Cc2ccc(S(N)(=O)=O)s2)c2ccc(Cl)cc21 ZINC000639085103 565224359 /nfs/dbraw/zinc/22/43/59/565224359.db2.gz UMTPWKLTJVOBMA-UHFFFAOYSA-N 1 0 383.926 2.873 20 0 GFADRO COC[C@@H](Cc1ccccc1)[N@H+](C)Cc1ccc(S(N)(=O)=O)c(Cl)c1 ZINC000639096893 565224858 /nfs/dbraw/zinc/22/48/58/565224858.db2.gz KOGSKSZYHUZJNV-MRXNPFEDSA-N 1 0 382.913 2.677 20 0 GFADRO CNC(=O)[C@@H]([NH2+][C@@H]1CCN(C)[C@H](c2ccc(Br)cc2)C1)C(C)C ZINC000639112187 565225889 /nfs/dbraw/zinc/22/58/89/565225889.db2.gz OHLTXGBSJHGZRO-IKGGRYGDSA-N 1 0 382.346 2.945 20 0 GFADRO O=S1(=O)CCCN1[C@H]1CCC[N@@H+](Cc2ccc(CC(F)(F)F)cc2)C1 ZINC000639115761 565226142 /nfs/dbraw/zinc/22/61/42/565226142.db2.gz ZJOGCKXEGUMIDF-INIZCTEOSA-N 1 0 376.444 2.791 20 0 GFADRO CS(=O)(=O)NCC[C@@H]1CCCC[N@@H+]1CCSc1ccc(F)cc1F ZINC000659846350 565226572 /nfs/dbraw/zinc/22/65/72/565226572.db2.gz PXMSHCGCQRMFFI-AWEZNQCLSA-N 1 0 378.510 2.851 20 0 GFADRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(Cc2ncsc2Br)CC1 ZINC000659866485 565226696 /nfs/dbraw/zinc/22/66/96/565226696.db2.gz SNWQDLHPBHVKOQ-ZIAGYGMSSA-N 1 0 387.391 2.896 20 0 GFADRO C[C@@H](O)C[N@H+](Cc1nnnn1-c1ccccc1Br)C1CCCCC1 ZINC000591377279 565228405 /nfs/dbraw/zinc/22/84/05/565228405.db2.gz UAFOVKFPKBTDHQ-CYBMUJFWSA-N 1 0 394.317 2.940 20 0 GFADRO CN1CC(=O)N(CC[N@H+](C)[C@H]2CCSc3ccc(Br)cc32)C1=O ZINC000659912943 565230539 /nfs/dbraw/zinc/23/05/39/565230539.db2.gz JRXNIAFDLIQVPY-ZDUSSCGKSA-N 1 0 398.326 2.812 20 0 GFADRO FC(F)(F)c1ccc(I)c(N2CC[C@H]3CC[NH2+][C@@H]3C2)n1 ZINC000591439863 565231311 /nfs/dbraw/zinc/23/13/11/565231311.db2.gz ZFNGZYBZFHVFLC-PSASIEDQSA-N 1 0 397.182 2.893 20 0 GFADRO COC(=O)c1cccc(NC(=O)N2CCn3cc(C)nc3C2)c1Br ZINC000617293923 565231575 /nfs/dbraw/zinc/23/15/75/565231575.db2.gz WBUNDMWJCQAPKH-UHFFFAOYSA-N 1 0 393.241 2.788 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+]CCc2cnc(SC3CCCC3)nc2)s1 ZINC000639211196 565233048 /nfs/dbraw/zinc/23/30/48/565233048.db2.gz SIPQTJNWWNEIAM-UHFFFAOYSA-N 1 0 398.579 2.553 20 0 GFADRO COc1ccc(C[C@@H](CO)C[NH2+]Cc2snnc2C)cc1Br ZINC000639243370 565234666 /nfs/dbraw/zinc/23/46/66/565234666.db2.gz FYECHBHLNPVESJ-GFCCVEGCSA-N 1 0 386.315 2.558 20 0 GFADRO Cc1cc(NC(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)ccc1Br ZINC000591657431 565235017 /nfs/dbraw/zinc/23/50/17/565235017.db2.gz KLSGEZUOCVYTPZ-JKSUJKDBSA-N 1 0 382.302 2.820 20 0 GFADRO COc1cc(Br)cc(S(=O)(=O)N2CCCC[C@H]2C[NH+](C)C)c1 ZINC000660009514 565238103 /nfs/dbraw/zinc/23/81/03/565238103.db2.gz UYHYUADJKJDPFX-ZDUSSCGKSA-N 1 0 391.331 2.563 20 0 GFADRO CCCC[N@H+](Cc1ccc(S(N)(=O)=O)cc1)[C@@H]1CCc2ncsc2C1 ZINC000639287120 565238075 /nfs/dbraw/zinc/23/80/75/565238075.db2.gz IDTPTYPLDWJJNN-OAHLLOKOSA-N 1 0 379.551 2.950 20 0 GFADRO CCC[N@@H+]1CC[C@@H](NS(=O)(=O)c2cc(Br)c(C)cc2OC)C1 ZINC000660026445 565240655 /nfs/dbraw/zinc/24/06/55/565240655.db2.gz GURYCMKVVFGJLC-GFCCVEGCSA-N 1 0 391.331 2.529 20 0 GFADRO C[C@]12C[N@H+](Cc3cnc(-c4ccc(Cl)cc4)s3)C[C@@]1(C)C(=O)NC2=O ZINC000639364013 565242197 /nfs/dbraw/zinc/24/21/97/565242197.db2.gz FZGOSFDEWKGVLT-HDICACEKSA-N 1 0 375.881 2.948 20 0 GFADRO Cc1c(F)c(Br)ccc1C(=O)N[C@@H](C)CN(C)CCC[NH+](C)C ZINC000617502126 565242195 /nfs/dbraw/zinc/24/21/95/565242195.db2.gz CYDAMHDFGASNLY-LBPRGKRZSA-N 1 0 388.325 2.898 20 0 GFADRO CO[C@H](C[N@H+](C)C[C@@H](O)COc1cc(Cl)cc(Cl)c1)[C@H]1CCOC1 ZINC000639359216 565242808 /nfs/dbraw/zinc/24/28/08/565242808.db2.gz BDADZXZIOMQLFN-XGWLTEMNSA-N 1 0 378.296 2.716 20 0 GFADRO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)CCc1ccccc1Br ZINC000617504952 565243164 /nfs/dbraw/zinc/24/31/64/565243164.db2.gz QPXOSRYQOBGUTK-HNNXBMFYSA-N 1 0 384.362 2.770 20 0 GFADRO OCCC1(CCO)CC[NH+](Cc2cc3c(c(Br)c2)OCO3)CC1 ZINC000639394040 565243757 /nfs/dbraw/zinc/24/37/57/565243757.db2.gz GYMRDMQUTDVNDA-UHFFFAOYSA-N 1 0 386.286 2.525 20 0 GFADRO C[C@@](CO)(Cc1ccc(F)cc1)[NH2+]Cc1cnn2cc(Br)cnc12 ZINC000639388227 565244197 /nfs/dbraw/zinc/24/41/97/565244197.db2.gz ZEXLXNDHAWNAJK-KRWDZBQOSA-N 1 0 393.260 2.714 20 0 GFADRO O=S(=O)(NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2)c1cscn1 ZINC000660057750 565245370 /nfs/dbraw/zinc/24/53/70/565245370.db2.gz QWMDIVBVWFGKJW-INIZCTEOSA-N 1 0 377.535 2.724 20 0 GFADRO COC[C@@H](C[NH+]1CCC(C(=O)Nc2cccc(Br)c2)CC1)OC ZINC000660055746 565245635 /nfs/dbraw/zinc/24/56/35/565245635.db2.gz ISYDJKIXYIVBLY-MRXNPFEDSA-N 1 0 385.302 2.761 20 0 GFADRO CCN(C(=O)C[C@@H](NC(C)=O)c1ccc(Br)cc1)[C@H]1CC[N@H+](C)C1 ZINC000617560723 565246836 /nfs/dbraw/zinc/24/68/36/565246836.db2.gz WFRTVABMTJAFTK-DLBZAZTESA-N 1 0 396.329 2.569 20 0 GFADRO CC(C)(Cc1ccc(Br)cc1)[NH2+]Cc1coc(S(N)(=O)=O)c1 ZINC000660071693 565248183 /nfs/dbraw/zinc/24/81/83/565248183.db2.gz WJTSVGJYSGPVKI-UHFFFAOYSA-N 1 0 387.299 2.800 20 0 GFADRO CC[NH+](CC)CCS(=O)(=O)N1CC[C@@H]1c1ccc(Br)cc1 ZINC000660072127 565248192 /nfs/dbraw/zinc/24/81/92/565248192.db2.gz TWSLMVZQYSIYRD-OAHLLOKOSA-N 1 0 375.332 2.868 20 0 GFADRO Brc1cccc(C2([NH2+]C[C@H]3CCc4ncnn43)CCOCC2)c1 ZINC000639533144 565249486 /nfs/dbraw/zinc/24/94/86/565249486.db2.gz CKYKRXPVYIBBRS-OAHLLOKOSA-N 1 0 377.286 2.823 20 0 GFADRO CCC[N@H+](C)CC(C)(C)NS(=O)(=O)Cc1cccc(Br)c1 ZINC000660108683 565253962 /nfs/dbraw/zinc/25/39/62/565253962.db2.gz YHCQWKILBPROPI-UHFFFAOYSA-N 1 0 377.348 2.989 20 0 GFADRO CN(CCC[NH+](C)C)CCNC(=O)c1cc(Cl)c(Br)cc1F ZINC000617763352 565256936 /nfs/dbraw/zinc/25/69/36/565256936.db2.gz OHHBXJYDUNJDDQ-UHFFFAOYSA-N 1 0 394.716 2.855 20 0 GFADRO C[C@@H](CCNC(=O)[C@H](c1ccc(Cl)cc1Cl)N1CCOCC1)[NH+](C)C ZINC000617753393 565257544 /nfs/dbraw/zinc/25/75/44/565257544.db2.gz BKANYBNWSNJAJY-GUYCJALGSA-N 1 0 388.339 2.823 20 0 GFADRO CNC(=O)c1cccc(C[N@@H+]2CC[C@H](Oc3cncc(Br)c3)C2)c1 ZINC000639771552 565259774 /nfs/dbraw/zinc/25/97/74/565259774.db2.gz DHQJVMGILWVNCG-INIZCTEOSA-N 1 0 390.281 2.857 20 0 GFADRO Cc1c(C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)cnn1-c1cccc(Br)c1 ZINC000592310623 565268158 /nfs/dbraw/zinc/26/81/58/565268158.db2.gz BGLYINLYZNVHLY-CQSZACIVSA-N 1 0 389.297 2.910 20 0 GFADRO COc1cc(NC(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)ncc1Br ZINC000639961498 565270025 /nfs/dbraw/zinc/27/00/25/565270025.db2.gz AXZABKNZMXSQEY-MRXNPFEDSA-N 1 0 383.290 2.802 20 0 GFADRO C[C@@H]([NH3+])[C@H](C)NC(=O)c1ccc(Br)cc1I ZINC000592340046 565271030 /nfs/dbraw/zinc/27/10/30/565271030.db2.gz YXJPIMJAAODPMN-RQJHMYQMSA-N 1 0 397.054 2.519 20 0 GFADRO CO[C@H]1CN(CC(=O)Nc2ccc(Br)cc2Cl)[C@@](C)(CO)C1 ZINC000639999490 565272877 /nfs/dbraw/zinc/27/28/77/565272877.db2.gz JZLZCHAYDIXCDL-IAQYHMDHSA-N 1 0 391.693 2.513 20 0 GFADRO Cc1ncc([C@H](C)[NH2+]CC(=O)Nc2cc(Cl)ccc2-n2cncn2)s1 ZINC000639996419 565273501 /nfs/dbraw/zinc/27/35/01/565273501.db2.gz YKSAEIJJOBZFFP-JTQLQIEISA-N 1 0 376.873 2.975 20 0 GFADRO C[C@H]([NH2+]CCCc1ncn(C)n1)c1ccc(F)c(I)c1 ZINC000592394686 565274450 /nfs/dbraw/zinc/27/44/50/565274450.db2.gz QXKMNHDUUBCMHH-JTQLQIEISA-N 1 0 388.228 2.842 20 0 GFADRO OCCC1(CCO)CC[NH+](C[C@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000640015608 565274625 /nfs/dbraw/zinc/27/46/25/565274625.db2.gz XVXBHAQPZREDJN-HNNXBMFYSA-N 1 0 392.323 2.580 20 0 GFADRO COC(=O)[C@@H]1C[NH2+]CCCN1Cc1cc(Br)cc(C(F)(F)F)c1 ZINC000592434516 565276832 /nfs/dbraw/zinc/27/68/32/565276832.db2.gz KQXUXOLQBGINMP-ZDUSSCGKSA-N 1 0 395.219 2.805 20 0 GFADRO C[C@@H](C(=O)Nc1ccc(Br)cc1)N1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000640052411 565277529 /nfs/dbraw/zinc/27/75/29/565277529.db2.gz AOJCIQUTTONUNR-OUJBWJOFSA-N 1 0 395.219 2.879 20 0 GFADRO C[C@H](CCc1ccc(I)cc1)CC(=O)N[C@H]1CC[NH2+]C1 ZINC000592464931 565278853 /nfs/dbraw/zinc/27/88/53/565278853.db2.gz RVBSPERIIURCPP-DOMZBBRYSA-N 1 0 386.277 2.728 20 0 GFADRO COC(=O)CC[C@H]([NH3+])C(=O)N[C@@H](c1ccc(Br)cc1)C1CCC1 ZINC000592499240 565279606 /nfs/dbraw/zinc/27/96/06/565279606.db2.gz VKFNCBYYWOFBDP-GOEBONIOSA-N 1 0 383.286 2.687 20 0 GFADRO C[C@@H](Cc1cccc(Br)c1)NC(=O)c1cnn2c1[C@H](C[NH3+])CCC2 ZINC000592498771 565279900 /nfs/dbraw/zinc/27/99/00/565279900.db2.gz FDVOGQRNGGOCEH-JSGCOSHPSA-N 1 0 391.313 2.843 20 0 GFADRO [NH3+]C[C@@H]1CCCn2ncc(C(=O)NCc3ccc(F)cc3Br)c21 ZINC000592499838 565279964 /nfs/dbraw/zinc/27/99/64/565279964.db2.gz ARAJESXQMBAQRR-JTQLQIEISA-N 1 0 381.249 2.551 20 0 GFADRO CSc1ccc(CN(C)C(=O)C[NH2+][C@@H](C(C)C)[C@H](O)C(F)(F)F)cc1 ZINC000660527123 565281629 /nfs/dbraw/zinc/28/16/29/565281629.db2.gz CEZUQGOHOJQDQG-HOTGVXAUSA-N 1 0 378.460 2.904 20 0 GFADRO COc1ncc(Br)cc1C[NH2+][C@@H]1CCC[C@@H]2CN(C(C)=O)C[C@H]21 ZINC000660561504 565283124 /nfs/dbraw/zinc/28/31/24/565283124.db2.gz WSEFCXQRNHGQSH-DAXOMENPSA-N 1 0 382.302 2.589 20 0 GFADRO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000618306100 565285800 /nfs/dbraw/zinc/28/58/00/565285800.db2.gz SUCWIAVUYLBHFB-LSDHHAIUSA-N 1 0 386.323 2.575 20 0 GFADRO C[NH+](C)CCn1nccc1NC(=O)N1CCc2ccc(Br)cc21 ZINC000640175612 565285794 /nfs/dbraw/zinc/28/57/94/565285794.db2.gz WQRBZBFROLCQFA-UHFFFAOYSA-N 1 0 378.274 2.802 20 0 GFADRO O=C(NCCCC[N@H+]1CCC[C@H]1CO)Nc1cscc1Br ZINC000640191521 565286436 /nfs/dbraw/zinc/28/64/36/565286436.db2.gz KMZBNQCIDWQMSZ-NSHDSACASA-N 1 0 376.320 2.869 20 0 GFADRO CN(Cc1ccccc1Br)C(=O)C[NH2+][C@H]1CCCn2nccc21 ZINC000640216164 565288182 /nfs/dbraw/zinc/28/81/82/565288182.db2.gz MJFMTLZTWRYXPT-HNNXBMFYSA-N 1 0 377.286 2.729 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)N2CCOc3cc(Br)ccc3C2)C[N@@H+]1C1CC1 ZINC000660869792 565298201 /nfs/dbraw/zinc/29/82/01/565298201.db2.gz RPQAAQZWDCMUAF-DOMZBBRYSA-N 1 0 394.313 2.978 20 0 GFADRO CCCN(C(=O)c1ccc(F)c(I)c1)[C@@H]1CC[N@H+](C)C1 ZINC000592829729 565299912 /nfs/dbraw/zinc/29/99/12/565299912.db2.gz XASAUGQONLFAOW-GFCCVEGCSA-N 1 0 390.240 2.987 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)Nc1ccn(C2CCSCC2)n1)c1cccs1 ZINC000640430040 565308728 /nfs/dbraw/zinc/30/87/28/565308728.db2.gz RUOVCEKFYHISES-CQSZACIVSA-N 1 0 379.555 3.437 20 0 GFADRO C[C@@H](NC(=O)C[N@@H+]1CC[C@@H](Cn2ccnn2)C1)c1ccc(Cl)cc1Cl ZINC000661141490 565309828 /nfs/dbraw/zinc/30/98/28/565309828.db2.gz OESGPUXQWLZHSB-CHWSQXEVSA-N 1 0 382.295 2.784 20 0 GFADRO C[C@H](NC(=O)C[N@@H+]1CC[C@H](Cn2ccnn2)C1)c1ccc(Cl)cc1Cl ZINC000661141494 565309893 /nfs/dbraw/zinc/30/98/93/565309893.db2.gz OESGPUXQWLZHSB-STQMWFEESA-N 1 0 382.295 2.784 20 0 GFADRO COC[C@H]([NH2+]C[C@H](O)COc1ccc(Cl)c(Cl)c1)C1CCOCC1 ZINC000661159493 565311192 /nfs/dbraw/zinc/31/11/92/565311192.db2.gz GHJRNTQKUFKOHN-GUYCJALGSA-N 1 0 378.296 2.764 20 0 GFADRO O=C(c1[nH]nc(C2CC2)c1Br)N1CCCN(c2cc[nH+]cc2)CC1 ZINC000640447381 565311193 /nfs/dbraw/zinc/31/11/93/565311193.db2.gz NPLXSYVVYNLTAK-UHFFFAOYSA-N 1 0 390.285 2.797 20 0 GFADRO CO[C@@H]1CCC[C@@H]([C@@H](CO)[NH2+]CC(=O)Nc2ccc(C)cc2Br)C1 ZINC000661216830 565314000 /nfs/dbraw/zinc/31/40/00/565314000.db2.gz HYIWEIJDYHVEIC-CKEIUWERSA-N 1 0 399.329 2.852 20 0 GFADRO CO[C@@H]1CCC[C@@H]([C@H](CO)[NH2+]CCC(=O)Nc2ccccc2Br)C1 ZINC000661214843 565314028 /nfs/dbraw/zinc/31/40/28/565314028.db2.gz AWVSAICKTTYCBW-CPUCHLNUSA-N 1 0 399.329 2.933 20 0 GFADRO CO[C@@H]1CCC[C@H]([C@H](CO)[NH2+]Cc2nc3cc(Br)ccc3[nH]2)C1 ZINC000661213392 565314173 /nfs/dbraw/zinc/31/41/73/565314173.db2.gz AWPAOOYANIIUNH-GHJWDPDVSA-N 1 0 382.302 2.981 20 0 GFADRO CO[C@@H]1CCC[C@H]([C@@H](CO)[NH2+]CC(=O)Nc2ccccc2Br)C1 ZINC000661220434 565314815 /nfs/dbraw/zinc/31/48/15/565314815.db2.gz OYAMCEPQMKZBPX-WOSRLPQWSA-N 1 0 385.302 2.543 20 0 GFADRO COC(=O)[C@@H]1C[N@@H+]([C@@H](C)C(=O)Nc2cccc(Br)c2)C[C@H]1C1CC1 ZINC000593126484 565315109 /nfs/dbraw/zinc/31/51/09/565315109.db2.gz LTZCSNILHDEPLL-KNXALSJPSA-N 1 0 395.297 2.907 20 0 GFADRO C[C@H](CO)[C@@H]1CCCC[N@@H+]1C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000661445637 565323876 /nfs/dbraw/zinc/32/38/76/565323876.db2.gz ORWVYCHLNDYJRS-PVUWLOKVSA-N 1 0 390.293 2.811 20 0 GFADRO C[C@H](CO)[C@H]1CCCC[N@@H+]1C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000661445636 565323888 /nfs/dbraw/zinc/32/38/88/565323888.db2.gz ORWVYCHLNDYJRS-ISTRZQFTSA-N 1 0 390.293 2.811 20 0 GFADRO [NH3+][C@H](c1cn(CC(=O)NC2CCCCC2)nn1)c1ccc(Br)cc1 ZINC000640769701 565325478 /nfs/dbraw/zinc/32/54/78/565325478.db2.gz SSURAOMNRNQLFC-KRWDZBQOSA-N 1 0 392.301 2.538 20 0 GFADRO C[C@@H]1CCC[N@H+](CC(=O)N(C)Cc2cc(Br)cs2)[C@H]1CCO ZINC000661489194 565325981 /nfs/dbraw/zinc/32/59/81/565325981.db2.gz ABZZDXCREILJKJ-DOMZBBRYSA-N 1 0 389.359 2.952 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)N[C@@H](CO)c2cccc(Br)c2)C1 ZINC000661505564 565326282 /nfs/dbraw/zinc/32/62/82/565326282.db2.gz ARXNSEAIHJIPKZ-CABCVRRESA-N 1 0 384.318 2.655 20 0 GFADRO COCC[C@H]([NH3+])Cc1cn([C@@H](C)C(=O)Nc2cc(Cl)ccc2Cl)nn1 ZINC000640803001 565328685 /nfs/dbraw/zinc/32/86/85/565328685.db2.gz UZOKZYIHLZAHSN-JQWIXIFHSA-N 1 0 386.283 2.691 20 0 GFADRO C[C@@H](NC(=O)Cn1cc(C2CC[NH2+]CC2)nn1)c1ccc(Cl)c(Cl)c1 ZINC000640849268 565330789 /nfs/dbraw/zinc/33/07/89/565330789.db2.gz VKRVUPKDSXJVKH-LLVKDONJSA-N 1 0 382.295 2.929 20 0 GFADRO C[NH+](C)C[C@@H]1CCN(c2ncnc3cc(I)sc32)C1 ZINC000593462806 565332083 /nfs/dbraw/zinc/33/20/83/565332083.db2.gz GMGFGZMZSJJUKA-VIFPVBQESA-N 1 0 388.278 2.684 20 0 GFADRO [NH3+][C@H](c1cn(CCO[C@@H]2CCCCO2)nn1)c1ccc(Br)cc1 ZINC000640940645 565338491 /nfs/dbraw/zinc/33/84/91/565338491.db2.gz FIOBVWSHEJIMPV-CVEARBPZSA-N 1 0 381.274 2.632 20 0 GFADRO [NH3+][C@H](c1cn(CCO[C@H]2CCCCO2)nn1)c1ccc(Br)cc1 ZINC000640940646 565338678 /nfs/dbraw/zinc/33/86/78/565338678.db2.gz FIOBVWSHEJIMPV-HOTGVXAUSA-N 1 0 381.274 2.632 20 0 GFADRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)N1CCc2[nH]c3c(cccc3Br)c2C1 ZINC000640941530 565338729 /nfs/dbraw/zinc/33/87/29/565338729.db2.gz HMYJXPXGPSNMOW-ZBEGNZNMSA-N 1 0 391.313 2.996 20 0 GFADRO CCC[C@@H]([NH3+])c1cn(Cc2noc(Cc3ccc(Br)cc3)n2)nn1 ZINC000641044324 565343857 /nfs/dbraw/zinc/34/38/57/565343857.db2.gz YQFLVTYUYPMERW-CYBMUJFWSA-N 1 0 391.273 2.863 20 0 GFADRO Brc1ccccc1-c1cnc(Cn2cc(C[C@H]3CC[NH2+]C3)nn2)o1 ZINC000641063589 565345177 /nfs/dbraw/zinc/34/51/77/565345177.db2.gz JEABQGJVECAUMB-GFCCVEGCSA-N 1 0 388.269 2.896 20 0 GFADRO CC(C)[C@H]([NH3+])c1cn([C@H]2CCN(c3cccc(Br)c3)C2=O)nn1 ZINC000641104936 565345639 /nfs/dbraw/zinc/34/56/39/565345639.db2.gz NDPWCHHEQWXJEF-GJZGRUSLSA-N 1 0 378.274 2.674 20 0 GFADRO COC[C@@H]([NH3+])Cc1cn(Cc2coc(-c3cc(Cl)cc(Cl)c3)n2)nn1 ZINC000641119289 565347187 /nfs/dbraw/zinc/34/71/87/565347187.db2.gz CDUSXLQIHDLLQW-ZDUSSCGKSA-N 1 0 382.251 2.804 20 0 GFADRO C[C@@H](C(=O)Nc1ccc(Br)cc1)[N@@H+]1CC[C@H](CN2CCCC2=O)C1 ZINC000662053935 565347701 /nfs/dbraw/zinc/34/77/01/565347701.db2.gz BTYLSFDJXXBGRR-KBPBESRZSA-N 1 0 394.313 2.720 20 0 GFADRO CCCOc1ccc(Br)cc1Cn1cc(C[C@H]([NH3+])CCOC)nn1 ZINC000641135224 565350081 /nfs/dbraw/zinc/35/00/81/565350081.db2.gz QHUYPZJBQBRGCN-OAHLLOKOSA-N 1 0 397.317 2.784 20 0 GFADRO [NH3+][C@H](c1cn(Cc2cc3n(n2)CCCC3)nn1)c1ccc(Br)cc1 ZINC000641150731 565350126 /nfs/dbraw/zinc/35/01/26/565350126.db2.gz SQZAUXIVYPNZNC-KRWDZBQOSA-N 1 0 387.285 2.670 20 0 GFADRO CC[C@@](C)([NH3+])c1cn([C@H]2CCc3cc(Br)ccc3NC2=O)nn1 ZINC000641164619 565351273 /nfs/dbraw/zinc/35/12/73/565351273.db2.gz NMFYYBVNMYUPGJ-XJKSGUPXSA-N 1 0 378.274 2.751 20 0 GFADRO C[C@@H](C(=O)Nc1cc(Cl)ccc1Cl)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000662157810 565352555 /nfs/dbraw/zinc/35/25/55/565352555.db2.gz QOYMFUNVPJFCBD-SWLSCSKDSA-N 1 0 386.323 2.851 20 0 GFADRO [NH3+][C@@H](c1cn(C[C@@H](O)COCc2cccs2)nn1)c1ccc(Cl)cc1 ZINC000641196959 565353028 /nfs/dbraw/zinc/35/30/28/565353028.db2.gz CTIKVIKJTRSHEG-RHSMWYFYSA-N 1 0 378.885 2.619 20 0 GFADRO CC[NH+]1CCC(NC(=O)CN2Cc3ccc(C)c(Br)c3C2)CC1 ZINC000662192947 565354379 /nfs/dbraw/zinc/35/43/79/565354379.db2.gz UQDJDHXEBONOPH-UHFFFAOYSA-N 1 0 380.330 2.674 20 0 GFADRO OC[C@H](CCF)[NH2+][C@@H]1CCCOc2ccc(I)cc21 ZINC000593718332 565358434 /nfs/dbraw/zinc/35/84/34/565358434.db2.gz FCIPYDTZVNUXBE-WCQYABFASA-N 1 0 379.213 2.815 20 0 GFADRO [NH3+]CC12CC(C1)CN2CC(=O)Nc1ccc(Br)c(C(F)(F)F)c1 ZINC000662308275 565359028 /nfs/dbraw/zinc/35/90/28/565359028.db2.gz ZJUCOJJFZPEQFJ-UHFFFAOYSA-N 1 0 392.219 2.830 20 0 GFADRO COC(=O)c1cc(Br)ccc1NC(=O)NCCC1CC[NH2+]CC1 ZINC000593763321 565359374 /nfs/dbraw/zinc/35/93/74/565359374.db2.gz IOMFRRSDTGSLJT-UHFFFAOYSA-N 1 0 384.274 2.747 20 0 GFADRO C[NH+](C)CCC[C@@H]1CN(C[C@@H](O)COc2ccc(Cl)c(Cl)c2)CCO1 ZINC000662319416 565360205 /nfs/dbraw/zinc/36/02/05/565360205.db2.gz MUTCZCQLPNZJJH-GDBMZVCRSA-N 1 0 391.339 2.776 20 0 GFADRO C[NH+](C)CCn1cc(Nc2ncnc(C(F)(F)F)c2Br)cn1 ZINC000641321722 565362529 /nfs/dbraw/zinc/36/25/29/565362529.db2.gz ZSOQJOCAPASNDF-UHFFFAOYSA-N 1 0 379.184 2.760 20 0 GFADRO COc1cc(CS(=O)(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)sn1 ZINC000641328120 565363089 /nfs/dbraw/zinc/36/30/89/565363089.db2.gz GKWQXNSXGZFHTM-HUUCEWRRSA-N 1 0 387.571 2.568 20 0 GFADRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)[C@H](N)c2ccccc2Br)C1 ZINC000662386855 565365175 /nfs/dbraw/zinc/36/51/75/565365175.db2.gz OCHTZOSQNIWSJQ-CKEIUWERSA-N 1 0 382.346 2.933 20 0 GFADRO COCC[N@@H+]1CC[C@H](NC(=O)CCSc2ccccc2Br)C1 ZINC000593910861 565367195 /nfs/dbraw/zinc/36/71/95/565367195.db2.gz DETULQUEONFVND-ZDUSSCGKSA-N 1 0 387.343 2.768 20 0 GFADRO O=C(NCCc1ccc(I)s1)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000593904547 565367725 /nfs/dbraw/zinc/36/77/25/565367725.db2.gz YUXWNKRIKCELTG-RYUDHWBXSA-N 1 0 390.290 2.542 20 0 GFADRO CC1(C)CC[NH2+][C@@H]1C(=O)N1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000662465551 565370289 /nfs/dbraw/zinc/37/02/89/565370289.db2.gz PVIGRTIOVYSAKZ-OAHLLOKOSA-N 1 0 384.307 2.666 20 0 GFADRO Cc1cc(Br)c(NC(=O)C(=O)N[C@@H]2CCC[N@@H+](C)C2)cc1Cl ZINC000662517423 565374054 /nfs/dbraw/zinc/37/40/54/565374054.db2.gz DQLVPTXUZNZRNG-SNVBAGLBSA-N 1 0 388.693 2.560 20 0 GFADRO O=C(NCCOc1cccc(Br)c1)c1cccc2c1CC[NH2+]C2 ZINC000662527097 565374454 /nfs/dbraw/zinc/37/44/54/565374454.db2.gz POFXNMDIJGWOPC-UHFFFAOYSA-N 1 0 375.266 2.904 20 0 GFADRO CCCN(C(=O)c1cc(Br)cc2c1OCCO2)C1CC[NH2+]CC1 ZINC000662548919 565375752 /nfs/dbraw/zinc/37/57/52/565375752.db2.gz VVMLFWFOFNABGY-UHFFFAOYSA-N 1 0 383.286 2.825 20 0 GFADRO COC(=O)c1cccc(NC(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)c1Br ZINC000594101647 565375663 /nfs/dbraw/zinc/37/56/63/565375663.db2.gz YQRKRNOSDIUIIM-PHIMTYICSA-N 1 0 384.274 2.697 20 0 GFADRO C[C@H](NC(=O)c1cc2c(s1)CC[NH2+]C2)C1CCN(CC(F)(F)F)CC1 ZINC000662541292 565376344 /nfs/dbraw/zinc/37/63/44/565376344.db2.gz HJZZETHCKIJJJD-NSHDSACASA-N 1 0 375.460 2.786 20 0 GFADRO [NH3+]C[C@H]1CC[C@@H](NC(=O)Cc2ccc(Br)c(Br)c2)C1 ZINC000662569822 565376931 /nfs/dbraw/zinc/37/69/31/565376931.db2.gz CKYVZQXPCRNRKG-WDEREUQCSA-N 1 0 390.119 2.998 20 0 GFADRO [NH3+]C[C@@H]1OCC[C@H]1C(=O)N1CCC(OCc2ccc(Cl)c(Cl)c2)CC1 ZINC000662639133 565380763 /nfs/dbraw/zinc/38/07/63/565380763.db2.gz JLJQEMBRANWQET-PBHICJAKSA-N 1 0 387.307 2.865 20 0 GFADRO CC1(C)CC[NH2+][C@@H]1C(=O)NC[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000662696787 565382488 /nfs/dbraw/zinc/38/24/88/565382488.db2.gz UYZCUZDWYFKBKS-XJKSGUPXSA-N 1 0 380.330 2.780 20 0 GFADRO CC[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)CC2([NH3+])CC2)CC1 ZINC000662718035 565383405 /nfs/dbraw/zinc/38/34/05/565383405.db2.gz IFJTXUQCDBOZEV-INIZCTEOSA-N 1 0 380.330 2.926 20 0 GFADRO C[N@@H+]1CCC[C@H](CNC(=O)[C@@]2(C(F)(F)F)CC[NH2+]C2)[C@@H]1c1cccs1 ZINC000662743935 565383423 /nfs/dbraw/zinc/38/34/23/565383423.db2.gz ABHOXHHFZXZZNT-XNRPHZJLSA-N 1 0 375.460 2.789 20 0 GFADRO C[NH+]1CCC2(CCN(S(=O)(=O)c3cccc(Br)c3F)C2)CC1 ZINC000641587260 565385121 /nfs/dbraw/zinc/38/51/21/565385121.db2.gz UCADUFCNSGGLOP-UHFFFAOYSA-N 1 0 391.306 2.695 20 0 GFADRO O=C(c1ccc(Cl)c(Br)c1)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000620480652 565385244 /nfs/dbraw/zinc/38/52/44/565385244.db2.gz IBVVBVBMJXCZIU-ZDUSSCGKSA-N 1 0 387.705 2.774 20 0 GFADRO COc1ccc(I)c(NC(=O)[C@H]2C[C@@]23CCC[NH2+]C3)c1 ZINC000594431143 565385467 /nfs/dbraw/zinc/38/54/67/565385467.db2.gz IKJHIWNPZLZQFE-IAQYHMDHSA-N 1 0 386.233 2.628 20 0 GFADRO O=C(c1cc(Br)cc2c1OCCO2)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000662814160 565386176 /nfs/dbraw/zinc/38/61/76/565386176.db2.gz QKTISYKAEYGLHL-SWLSCSKDSA-N 1 0 395.297 2.825 20 0 GFADRO O=C(N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662800303 565386182 /nfs/dbraw/zinc/38/61/82/565386182.db2.gz MWEAJCREHNTMMB-ZUZCIYMTSA-N 1 0 379.785 2.716 20 0 GFADRO O=C(CCCc1cccc(Br)c1)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000620481735 565386303 /nfs/dbraw/zinc/38/63/03/565386303.db2.gz HLUPVEVXMGFRHT-GOSISDBHSA-N 1 0 395.341 2.829 20 0 GFADRO C[C@H](C[NH+](C)C)[C@H]1CCCCN1S(=O)(=O)c1ncccc1Br ZINC000641622872 565387136 /nfs/dbraw/zinc/38/71/36/565387136.db2.gz CWSQYCDRNJQGES-TZMCWYRMSA-N 1 0 390.347 2.585 20 0 GFADRO [NH3+]C1(CC(=O)N2CCc3cc(Br)c(Br)cc3C2)CC1 ZINC000662929851 565389978 /nfs/dbraw/zinc/38/99/78/565389978.db2.gz KBODDNSETFYVTE-UHFFFAOYSA-N 1 0 388.103 2.978 20 0 GFADRO O=C(NC[C@@H]1CC[N@@H+]1Cc1ccccc1)c1c[nH]c(=O)c(Br)c1 ZINC000620770086 565396123 /nfs/dbraw/zinc/39/61/23/565396123.db2.gz AHPHTADGHSISRZ-AWEZNQCLSA-N 1 0 376.254 2.554 20 0 GFADRO FC(F)(F)c1sccc1C[NH2+][C@@H]1CCCN(CCN2CCOCC2)C1 ZINC000641787667 565400049 /nfs/dbraw/zinc/40/00/49/565400049.db2.gz XKNULIYXOUVHCW-OAHLLOKOSA-N 1 0 377.476 2.653 20 0 GFADRO C[C@H]([NH2+]C1CCN(C(=O)C2CC2)CC1)C(=O)Nc1ccccc1Br ZINC000641860955 565400886 /nfs/dbraw/zinc/40/08/86/565400886.db2.gz UKTCRHXVZQQSAJ-LBPRGKRZSA-N 1 0 394.313 2.767 20 0 GFADRO COc1ccc(Br)cc1CC(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000620969602 565402879 /nfs/dbraw/zinc/40/28/79/565402879.db2.gz DRMZNCIFEIUANH-INIZCTEOSA-N 1 0 399.329 2.569 20 0 GFADRO Cc1ccc(CC(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)cc1Br ZINC000620977056 565403063 /nfs/dbraw/zinc/40/30/63/565403063.db2.gz RBNQWJVOEXGCEV-INIZCTEOSA-N 1 0 383.330 2.869 20 0 GFADRO C[NH+](C)CCC[C@H]1CN(C(=O)c2c[nH]nc2-c2ccc(Cl)s2)CCO1 ZINC000620975399 565403134 /nfs/dbraw/zinc/40/31/34/565403134.db2.gz WDYXPEBBVUQURZ-LBPRGKRZSA-N 1 0 382.917 2.974 20 0 GFADRO C[NH+](C)CCC[C@H]1CN(C(=O)CCOc2ccccc2Br)CCO1 ZINC000620967151 565403285 /nfs/dbraw/zinc/40/32/85/565403285.db2.gz FNZVTAMEMSAUMO-HNNXBMFYSA-N 1 0 399.329 2.787 20 0 GFADRO CC1CC[NH+](CCCNS(=O)(=O)c2ccccc2OC(F)(F)F)CC1 ZINC000641964233 565403506 /nfs/dbraw/zinc/40/35/06/565403506.db2.gz MMUAWGWIBNPKCN-UHFFFAOYSA-N 1 0 380.432 2.986 20 0 GFADRO COc1c(Br)ccc(C)c1C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000620979974 565404110 /nfs/dbraw/zinc/40/41/10/565404110.db2.gz KTXLWEOUTXBORZ-AWEZNQCLSA-N 1 0 399.329 2.949 20 0 GFADRO COCC[N@@H+]1CCCN(C(=O)CCc2ccc(Br)cc2F)CC1 ZINC000621038291 565404276 /nfs/dbraw/zinc/40/42/76/565404276.db2.gz NUKDARYCFIWXDA-UHFFFAOYSA-N 1 0 387.293 2.702 20 0 GFADRO CC(C)[C@H]1CN(C(=O)c2cc(Br)cnc2OCC2CC2)CC[NH2+]1 ZINC000621159366 565408565 /nfs/dbraw/zinc/40/85/65/565408565.db2.gz JWMAJSQMBCAMNP-OAHLLOKOSA-N 1 0 382.302 2.703 20 0 GFADRO CCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000642246647 565408956 /nfs/dbraw/zinc/40/89/56/565408956.db2.gz UGVAYERSKHMKTL-AAEUAGOBSA-N 1 0 379.306 2.729 20 0 GFADRO CCCOc1c(Cl)cc(C[NH2+]CCCN(C)S(C)(=O)=O)cc1OC ZINC000642342337 565410993 /nfs/dbraw/zinc/41/09/93/565410993.db2.gz XNFCTSQZZQCEHA-UHFFFAOYSA-N 1 0 378.922 2.509 20 0 GFADRO O=C(NC1CC[NH+](C[C@H](O)COc2ccc(Cl)c(Cl)c2)CC1)C1CC1 ZINC000642338360 565411060 /nfs/dbraw/zinc/41/10/60/565411060.db2.gz GJBHVFBKEASIHS-AWEZNQCLSA-N 1 0 387.307 2.724 20 0 GFADRO C[C@H](CNS(=O)(=O)c1ccccc1Br)[N@@H+]1CCCC[C@@H]1C ZINC000642376752 565412833 /nfs/dbraw/zinc/41/28/33/565412833.db2.gz CILHVZDSEGJQBK-QWHCGFSZSA-N 1 0 375.332 2.990 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)c1cc(Br)c[nH]c1=O)c1cccc(F)c1 ZINC000621261863 565413389 /nfs/dbraw/zinc/41/33/89/565413389.db2.gz GYTJFUVMNWINMY-CQSZACIVSA-N 1 0 382.233 2.722 20 0 GFADRO CNS(=O)(=O)CC[NH2+]C1(c2cccc(Br)c2)CCCCC1 ZINC000621268486 565413578 /nfs/dbraw/zinc/41/35/78/565413578.db2.gz LWBLKPCUTRIEPZ-UHFFFAOYSA-N 1 0 375.332 2.747 20 0 GFADRO C[C@H](CNS(=O)(=O)c1cccc(OC(F)(F)F)c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000642515755 565413588 /nfs/dbraw/zinc/41/35/88/565413588.db2.gz FQASBDPCRRXOAL-CHWSQXEVSA-N 1 0 380.432 2.984 20 0 GFADRO C[C@@H]([NH2+]C[C@H](O)COc1ccc(Cl)cc1Br)c1nccn1C ZINC000663369683 565415466 /nfs/dbraw/zinc/41/54/66/565415466.db2.gz DZBKTQCLKFMTAE-PWSUYJOCSA-N 1 0 388.693 2.927 20 0 GFADRO CC[C@H](C[NH+]1CCCC1)NC(=O)N[C@H]1C[C@H](C)S(=O)(=O)c2sccc21 ZINC000642694401 565416228 /nfs/dbraw/zinc/41/62/28/565416228.db2.gz DFLHWDPSYQOPCQ-GUTXKFCHSA-N 1 0 385.555 2.529 20 0 GFADRO OC1CC[NH+](CCCNc2ccnc3c(Br)ccc(F)c23)CC1 ZINC000663402961 565418242 /nfs/dbraw/zinc/41/82/42/565418242.db2.gz OZNCKVLWZDTLOT-UHFFFAOYSA-N 1 0 382.277 2.817 20 0 GFADRO CCOc1cncc(C[NH2+]CCNC(=O)c2ccc(Br)cc2)c1 ZINC000621330594 565420508 /nfs/dbraw/zinc/42/05/08/565420508.db2.gz UROSUSAFDXVZHE-UHFFFAOYSA-N 1 0 378.270 2.762 20 0 GFADRO Cc1cc(S(=O)(=O)N2CCN(c3[nH+]ccc4[nH]ccc43)CC2)c(C)s1 ZINC000663441360 565421166 /nfs/dbraw/zinc/42/11/66/565421166.db2.gz ZJEMFWHEMZDGKR-UHFFFAOYSA-N 1 0 376.507 2.752 20 0 GFADRO CS(=O)(=O)N1CC[C@H](C[NH2+]C2(c3ccc(C(F)(F)F)cc3)CCC2)C1 ZINC000621351609 565422117 /nfs/dbraw/zinc/42/21/17/565422117.db2.gz YYVMRZKRYSDRLZ-CYBMUJFWSA-N 1 0 376.444 2.956 20 0 GFADRO CN(c1nc(C2CC2)ncc1Br)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000663593130 565428041 /nfs/dbraw/zinc/42/80/41/565428041.db2.gz NNORGKOYUKKCKA-HNNXBMFYSA-N 1 0 394.361 2.721 20 0 GFADRO Cc1nc(C)c(Br)c(Sc2nnc(C3CC[NH2+]CC3)n2C)n1 ZINC000663626621 565429339 /nfs/dbraw/zinc/42/93/39/565429339.db2.gz BGSCFZZWESHCOA-UHFFFAOYSA-N 1 0 383.319 2.603 20 0 GFADRO C[C@H](Cc1ccc(F)cc1Cl)[NH2+][C@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1 ZINC000643347798 565430354 /nfs/dbraw/zinc/43/03/54/565430354.db2.gz IWFGVTUQDZBENW-PVUWLOKVSA-N 1 0 375.893 2.736 20 0 GFADRO O=C(CC[C@@H]1CCC[NH2+]C1)NCCC(=O)Nc1ccc(Br)cc1 ZINC000621627656 565433063 /nfs/dbraw/zinc/43/30/63/565433063.db2.gz GCTIYBPTLACGLY-ZDUSSCGKSA-N 1 0 382.302 2.674 20 0 GFADRO [NH3+][C@H]1CCO[C@H](C2CCN(C(=O)COc3ccc(Br)cc3)CC2)C1 ZINC000643606039 565435126 /nfs/dbraw/zinc/43/51/26/565435126.db2.gz GTZDKKQCLVEELV-RDJZCZTQSA-N 1 0 397.313 2.573 20 0 GFADRO C[C@@H](N[C@H]1CC[NH2+]C2(CCC2)C1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000643548339 565435667 /nfs/dbraw/zinc/43/56/67/565435667.db2.gz OAXHPWRLCWVUQX-MNOVXSKESA-N 1 0 392.352 2.966 20 0 GFADRO O[C@@]1(C[NH2+]Cc2cc(Cl)ccc2I)CCSC1 ZINC000594941764 565436905 /nfs/dbraw/zinc/43/69/05/565436905.db2.gz UPKZBIDSCTZFJP-GFCCVEGCSA-N 1 0 383.682 2.902 20 0 GFADRO Cc1c(C(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)cnn1-c1cccc(Br)c1 ZINC000621689109 565436952 /nfs/dbraw/zinc/43/69/52/565436952.db2.gz CNSAOHADUCYKGW-ACJLOTCBSA-N 1 0 389.297 2.897 20 0 GFADRO COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+][C@@H]1CCN(c2ccc(Br)c(C)c2)C1=O ZINC000594943649 565437139 /nfs/dbraw/zinc/43/71/39/565437139.db2.gz DXKMXJXWRUPKDA-XKVFNRALSA-N 1 0 395.297 2.650 20 0 GFADRO CCS(=O)(=O)c1c(Cl)cccc1C[NH2+][C@@H]1CCC[C@@H]([S@](C)=O)C1 ZINC000594964832 565438553 /nfs/dbraw/zinc/43/85/53/565438553.db2.gz GPZVFINLZSJNRO-SOHPYSCWSA-N 1 0 377.959 2.913 20 0 GFADRO C[N@@H+]1CCC[C@@H](CNC(=O)N[C@H]2CCOc3ccc(Br)cc32)C1 ZINC000594975673 565438611 /nfs/dbraw/zinc/43/86/11/565438611.db2.gz AOWVRSJJSIWIFK-WFASDCNBSA-N 1 0 382.302 2.914 20 0 GFADRO C[N@@H+]1CCC[C@@H](CNC(=O)N[C@@H]2CCOc3ccc(Br)cc32)C1 ZINC000594975672 565438689 /nfs/dbraw/zinc/43/86/89/565438689.db2.gz AOWVRSJJSIWIFK-SWLSCSKDSA-N 1 0 382.302 2.914 20 0 GFADRO C[C@H]([NH2+]CC[C@H]1CC1(F)F)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000621768705 565441451 /nfs/dbraw/zinc/44/14/51/565441451.db2.gz UASMCKUVBYPLPM-WPRPVWTQSA-N 1 0 383.258 2.792 20 0 GFADRO C[C@@H](CCS(C)(=O)=O)[NH2+][C@@H]1CCc2ccc(I)cc21 ZINC000595020836 565443792 /nfs/dbraw/zinc/44/37/92/565443792.db2.gz NTZCTVTYNAHXOV-IINYFYTJSA-N 1 0 393.290 2.691 20 0 GFADRO O=C(NCC[C@@H]1CC[NH2+]C1)NCC(F)(F)c1ccc(Br)cc1 ZINC000621846410 565443939 /nfs/dbraw/zinc/44/39/39/565443939.db2.gz BDGAYBHQNPRCEU-NSHDSACASA-N 1 0 376.245 2.840 20 0 GFADRO C[C@@]1(C[NH3+])CCN(C(=O)NCC(F)(F)c2ccc(Br)cc2)C1 ZINC000621851563 565444963 /nfs/dbraw/zinc/44/49/63/565444963.db2.gz XPNILJKQEMOVCZ-AWEZNQCLSA-N 1 0 376.245 2.921 20 0 GFADRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCc2ccc(I)cc21 ZINC000595036931 565445077 /nfs/dbraw/zinc/44/50/77/565445077.db2.gz XNNYGGMWIJKGAJ-VHDGCEQUSA-N 1 0 384.261 2.783 20 0 GFADRO C[C@@H]1CC2(CN1C(=O)c1cc3c(c(Br)c1)OCO3)CC[NH2+]CC2 ZINC000643844278 565448175 /nfs/dbraw/zinc/44/81/75/565448175.db2.gz ANAZZSISNSAYRH-LLVKDONJSA-N 1 0 381.270 2.782 20 0 GFADRO COc1cc(Br)c(NC(=O)[C@H]2C[NH2+]CCC2(F)F)cc1OC ZINC000643984450 565453728 /nfs/dbraw/zinc/45/37/28/565453728.db2.gz KYQNPQJRFZWBKA-MRVPVSSYSA-N 1 0 379.201 2.650 20 0 GFADRO [NH3+][C@]12CCC[C@H]1CN(S(=O)(=O)c1cc(Cl)ccc1Br)C2 ZINC000622014856 565455102 /nfs/dbraw/zinc/45/51/02/565455102.db2.gz LPMNEVUZKFCJJK-ZANVPECISA-N 1 0 379.707 2.604 20 0 GFADRO [NH3+][C@@]12CCC[C@@H]1CN(S(=O)(=O)c1ccc(Cl)c(Br)c1)C2 ZINC000622014716 565455263 /nfs/dbraw/zinc/45/52/63/565455263.db2.gz JUPIETMIJBKHRR-NOZJJQNGSA-N 1 0 379.707 2.604 20 0 GFADRO O=C(NCCC1CC[NH2+]CC1)Nc1ccc(I)cc1F ZINC000595235432 565456981 /nfs/dbraw/zinc/45/69/81/565456981.db2.gz FXTDUGFFGZHNSD-UHFFFAOYSA-N 1 0 391.228 2.942 20 0 GFADRO CO[C@H]1CCN(C(=O)c2cnn(-c3ccc(Cl)cc3Cl)c2)[C@H](C[NH3+])C1 ZINC000644106272 565458994 /nfs/dbraw/zinc/45/89/94/565458994.db2.gz JYLLTELDCKHCBX-KBPBESRZSA-N 1 0 383.279 2.757 20 0 GFADRO COc1cc(C(=O)NCc2ccc3c(c2)C[NH2+]C3)cc(Br)c1OC ZINC000644111624 565459121 /nfs/dbraw/zinc/45/91/21/565459121.db2.gz PNVCRRUIOKZZBB-UHFFFAOYSA-N 1 0 391.265 3.000 20 0 GFADRO FC(F)(CN[C@H](C1CC1)[C@H]1C[NH2+]CCO1)c1ccc(Br)cc1 ZINC000622044396 565459250 /nfs/dbraw/zinc/45/92/50/565459250.db2.gz DIOILPXWYUQQNA-HUUCEWRRSA-N 1 0 375.257 2.898 20 0 GFADRO C[NH2+]C[C@@H](C)NC(=O)N[C@@H](C)CCc1ccc(I)cc1 ZINC000595263222 565459698 /nfs/dbraw/zinc/45/96/98/565459698.db2.gz QHKNALALWDKVIP-NWDGAFQWSA-N 1 0 389.281 2.519 20 0 GFADRO COC[C@]1(CNC(=O)CCSc2ccccc2Br)CCC[NH2+]1 ZINC000644125773 565460377 /nfs/dbraw/zinc/46/03/77/565460377.db2.gz IAZBKUSNCOCNKW-MRXNPFEDSA-N 1 0 387.343 2.816 20 0 GFADRO COCCN(Cc1sccc1Br)C(=O)[C@H]1C[NH2+]CCC1(F)F ZINC000644153983 565461134 /nfs/dbraw/zinc/46/11/34/565461134.db2.gz GNNJGRFBUMDZRN-SNVBAGLBSA-N 1 0 397.285 2.730 20 0 GFADRO COc1ccc(-c2noc(=O)n2CCC2CC[NH2+]CC2)cc1Br ZINC000644167462 565461559 /nfs/dbraw/zinc/46/15/59/565461559.db2.gz JCDDZAOJMFPWFK-UHFFFAOYSA-N 1 0 382.258 2.664 20 0 GFADRO Cn1[nH]c([C@H]2CCC[NH2+]2)nc1=NC(=O)Nc1ccc(Br)cc1Cl ZINC000664416116 565462848 /nfs/dbraw/zinc/46/28/48/565462848.db2.gz COOQOOWNEXJUPJ-LLVKDONJSA-N 1 0 399.680 2.721 20 0 GFADRO C[N@@H+]1C[C@@H](CNC(=O)c2cc(Br)c[nH]c2=O)[C@H](c2ccccc2)C1 ZINC000622122564 565464006 /nfs/dbraw/zinc/46/40/06/565464006.db2.gz OLIZSFQVGRXYNA-CJNGLKHVSA-N 1 0 390.281 2.625 20 0 GFADRO CCn1c(CNC(=O)NCC[C@@H](C)[NH+](C)C)nc2cc(Br)ccc21 ZINC000664744667 565477132 /nfs/dbraw/zinc/47/71/32/565477132.db2.gz SZFGXBHOGDBGLI-GFCCVEGCSA-N 1 0 396.333 2.958 20 0 GFADRO C[C@@H](CCNC(=O)N[C@H]1CCN(c2cccc(Br)c2)C1)[NH+](C)C ZINC000664772011 565478181 /nfs/dbraw/zinc/47/81/81/565478181.db2.gz KWUKMKWVUNTFPM-ZFWWWQNUSA-N 1 0 383.334 2.667 20 0 GFADRO Cc1csc(C[NH2+]C[C@@H](O)COc2cc(F)cc(Br)c2)n1 ZINC000644516369 565478698 /nfs/dbraw/zinc/47/86/98/565478698.db2.gz OPJWVNWNEPMALQ-GFCCVEGCSA-N 1 0 375.263 2.883 20 0 GFADRO COC[C@@H](C[N@@H+]1CC[C@H](Cc2cccc(I)c2)C1)OC ZINC000595506747 565479839 /nfs/dbraw/zinc/47/98/39/565479839.db2.gz LGHPNCLCYZDYRP-GDBMZVCRSA-N 1 0 389.277 2.817 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CC[NH2+]C[C@@](C)(O)C(F)(F)F ZINC000644533192 565480100 /nfs/dbraw/zinc/48/01/00/565480100.db2.gz DOIFZMQWALGAOX-CYBMUJFWSA-N 1 0 383.208 2.989 20 0 GFADRO CC(=O)Nc1ccc(OC[C@H](O)C[NH2+]Cc2sccc2Br)cc1 ZINC000644532325 565480541 /nfs/dbraw/zinc/48/05/41/565480541.db2.gz PLQWFTLRZWNCEL-CYBMUJFWSA-N 1 0 399.310 2.999 20 0 GFADRO CN1CCC[C@@H]([NH2+]C[C@@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000644548108 565481648 /nfs/dbraw/zinc/48/16/48/565481648.db2.gz PBOCOLFXTBAPPS-CHWSQXEVSA-N 1 0 377.710 2.526 20 0 GFADRO CN(C)[C@]1(C[NH2+]C[C@H](O)COc2ccc(Cl)c(Cl)c2)CCSC1 ZINC000644583377 565482707 /nfs/dbraw/zinc/48/27/07/565482707.db2.gz YICSDXOQYCSTFC-LRDDRELGSA-N 1 0 379.353 2.760 20 0 GFADRO C[C@@H]([NH2+]CCS(=O)(=O)c1cccc(Br)c1)[C@H]1CCCCO1 ZINC000644616530 565485476 /nfs/dbraw/zinc/48/54/76/565485476.db2.gz LXONNIFOJLSYPB-IUODEOHRSA-N 1 0 376.316 2.770 20 0 GFADRO COc1ccc(C[NH2+]C[C@@H](O)COc2ccc(Cl)c(Cl)c2)c(OC)n1 ZINC000644651514 565487178 /nfs/dbraw/zinc/48/71/78/565487178.db2.gz SWYUJZMQSYIMPH-GFCCVEGCSA-N 1 0 387.263 2.935 20 0 GFADRO NC(=O)Cc1ccc(C[NH2+]C[C@@H](O)COc2ccc(Cl)c(Cl)c2)cc1 ZINC000644649455 565487250 /nfs/dbraw/zinc/48/72/50/565487250.db2.gz VKMXGFRMKMEAKX-CQSZACIVSA-N 1 0 383.275 2.551 20 0 GFADRO C[C@H]1CC2(CN1C(=O)c1nc(C3CC3)ncc1Br)CC[NH2+]CC2 ZINC000623072562 565492777 /nfs/dbraw/zinc/49/27/77/565492777.db2.gz GOBSFYRWJULXEP-NSHDSACASA-N 1 0 379.302 2.721 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000665218128 565493830 /nfs/dbraw/zinc/49/38/30/565493830.db2.gz FNAGFFVGHQHMCL-OAHLLOKOSA-N 1 0 382.302 2.820 20 0 GFADRO C[N@@H+]1C[C@H]2CCN(C(=O)c3ccc(Br)cc3Br)[C@H]2C1 ZINC000644813395 565496347 /nfs/dbraw/zinc/49/63/47/565496347.db2.gz GYSFCGRPZOGKNV-RNCFNFMXSA-N 1 0 388.103 2.988 20 0 GFADRO Cc1c(C(=O)N2CC[C@H]3C[N@@H+](C)C[C@@H]32)cnn1-c1cccc(Br)c1 ZINC000644816171 565497168 /nfs/dbraw/zinc/49/71/68/565497168.db2.gz TZPKBXIAMSRQJV-GUYCJALGSA-N 1 0 389.297 2.719 20 0 GFADRO Cc1nc(C(=O)N2CC[C@H]3C[N@@H+](C)C[C@H]32)nn1-c1c(Cl)cccc1Cl ZINC000644818352 565497357 /nfs/dbraw/zinc/49/73/57/565497357.db2.gz LTZDBOCIFYSZRO-SMDDNHRTSA-N 1 0 380.279 2.659 20 0 GFADRO CC(C)[NH2+]CC(=O)NCCSCCOc1cccc(Br)c1 ZINC000595923122 565498861 /nfs/dbraw/zinc/49/88/61/565498861.db2.gz QDAXBGBFRYEAII-UHFFFAOYSA-N 1 0 375.332 2.675 20 0 GFADRO CC[C@@H]1[NH2+]CC[C@H]1C(=O)N1Cc2sc(C(=O)OC)c(Br)c2C1 ZINC000596000769 565504528 /nfs/dbraw/zinc/50/45/28/565504528.db2.gz OYIVIZWSZIAKQY-SCZZXKLOSA-N 1 0 387.299 2.528 20 0 GFADRO COC(=O)c1sc2c(c1Br)CN(C(=O)[C@@H]1CCC[C@@H]([NH3+])C1)C2 ZINC000595994753 565504731 /nfs/dbraw/zinc/50/47/31/565504731.db2.gz IXVAQRCJXAALRW-RKDXNWHRSA-N 1 0 387.299 2.657 20 0 GFADRO C[C@@H](NC(=O)N1CC[C@@H]([NH+]2CCCCC2)C1)c1ncc(Br)cn1 ZINC000644969119 565504979 /nfs/dbraw/zinc/50/49/79/565504979.db2.gz AHBXVAWJODBNCC-TZMCWYRMSA-N 1 0 382.306 2.570 20 0 GFADRO Cc1cc(C[NH2+]Cc2cccc(CS(C)(=O)=O)c2)ncc1Br ZINC000623387830 565506996 /nfs/dbraw/zinc/50/69/96/565506996.db2.gz XHKWWZUHRCUADU-UHFFFAOYSA-N 1 0 383.311 2.987 20 0 GFADRO COc1ncc(Br)cc1CNC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000623393610 565507809 /nfs/dbraw/zinc/50/78/09/565507809.db2.gz LBAVIIZQBFDSDL-UHFFFAOYSA-N 1 0 399.333 2.961 20 0 GFADRO C[NH+](C)[C@]1(CNC(=O)N2CC[C@@H](O)[C@H]2c2ccc(Cl)cc2)CCSC1 ZINC000645014106 565508060 /nfs/dbraw/zinc/50/80/60/565508060.db2.gz JJUAPFSQEHNPNO-NUJGCVRESA-N 1 0 383.945 2.595 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)NC[C@@H](n1cccn1)C(F)(F)F)c1ccsc1 ZINC000623409268 565509283 /nfs/dbraw/zinc/50/92/83/565509283.db2.gz WPHJQWCKEYHZAZ-QWHCGFSZSA-N 1 0 375.420 2.650 20 0 GFADRO Cc1cc(CNc2cc(C(N)=O)ccc2C[NH+](C)C)ncc1Br ZINC000623466003 565512194 /nfs/dbraw/zinc/51/21/94/565512194.db2.gz MSQYSKYQDPQHFV-UHFFFAOYSA-N 1 0 377.286 2.925 20 0 GFADRO C[NH+]1CCC2(CC1)CN(C(=O)NCCSc1ccc(Cl)cc1)CCO2 ZINC000645128064 565513038 /nfs/dbraw/zinc/51/30/38/565513038.db2.gz KAOYIPFJNAFGFG-UHFFFAOYSA-N 1 0 383.945 2.938 20 0 GFADRO Cc1cc(Br)c(CNC[C@](C)(O)C[NH+](C)C)cc1Br ZINC000623471029 565513702 /nfs/dbraw/zinc/51/37/02/565513702.db2.gz LRMOZBRWQLZYDG-AWEZNQCLSA-N 1 0 394.151 2.922 20 0 GFADRO CC(C)C[C@H](NCc1ccsc1Br)C(=O)NCC[NH+](C)C ZINC000623475591 565513709 /nfs/dbraw/zinc/51/37/09/565513709.db2.gz TYYBPNJRIKGOSQ-ZDUSSCGKSA-N 1 0 376.364 2.693 20 0 GFADRO CCOC(=O)COc1c(Br)cc(C)cc1CNCC12CC(C1)C[NH2+]2 ZINC000596101323 565513858 /nfs/dbraw/zinc/51/38/58/565513858.db2.gz FRPZATYOMPERDA-UHFFFAOYSA-N 1 0 397.313 2.541 20 0 GFADRO C[C@H]([NH2+]C[C@@H](O)COC[C@H]1CCCO1)c1ccc(F)c(Br)c1 ZINC000645194073 565515959 /nfs/dbraw/zinc/51/59/59/565515959.db2.gz GBKMKNJGLICPEA-IACUBPJLSA-N 1 0 376.266 2.795 20 0 GFADRO COc1ccc(Br)cc1C1(NC(=O)N[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000645201674 565516635 /nfs/dbraw/zinc/51/66/35/565516635.db2.gz HHOTZOHGJVTCNZ-CYBMUJFWSA-N 1 0 382.302 2.840 20 0 GFADRO C[C@H](CCNC(=O)NCc1noc(-c2cccc(Br)c2)n1)[NH+](C)C ZINC000665931159 565517364 /nfs/dbraw/zinc/51/73/64/565517364.db2.gz CXEPIWVUONVWRS-LLVKDONJSA-N 1 0 396.289 2.639 20 0 GFADRO OC[C@]1([C@@H]([NH2+]C[C@@H](O)COc2ccc(Cl)c(Cl)c2)C2CC2)CCCO1 ZINC000645264172 565518936 /nfs/dbraw/zinc/51/89/36/565518936.db2.gz ZDSMMTJODLBWOZ-BVGQSLNGSA-N 1 0 390.307 2.643 20 0 GFADRO CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]C[C@H]1CCCN1CC(F)F ZINC000623625154 565521797 /nfs/dbraw/zinc/52/17/97/565521797.db2.gz KNUFHIKZWPNHED-CYBMUJFWSA-N 1 0 380.888 2.953 20 0 GFADRO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@@H]1OCCc2ccccc21 ZINC000666100624 565522663 /nfs/dbraw/zinc/52/26/63/565522663.db2.gz PAQMSILMLBXRBP-GUYCJALGSA-N 1 0 377.282 2.903 20 0 GFADRO COc1ccc(C[NH2+][C@@]2(CO)CCc3cc(Br)ccc3C2)cn1 ZINC000623645295 565523027 /nfs/dbraw/zinc/52/30/27/565523027.db2.gz WLOFPTQISUTBSB-SFHVURJKSA-N 1 0 377.282 2.862 20 0 GFADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@H]1OCCc2ccccc21 ZINC000666100621 565523179 /nfs/dbraw/zinc/52/31/79/565523179.db2.gz PAQMSILMLBXRBP-CXAGYDPISA-N 1 0 377.282 2.903 20 0 GFADRO O=S(=O)(C[C@H](O)C[NH2+][C@@H]1CCc2cccc(Cl)c2C1)c1cccs1 ZINC000666112191 565523233 /nfs/dbraw/zinc/52/32/33/565523233.db2.gz IWDZXVFNOFZFOJ-ZIAGYGMSSA-N 1 0 385.938 2.683 20 0 GFADRO O=C1[C@H]([NH2+][C@H]2CCc3sc(Br)cc32)CCN1C1CCOCC1 ZINC000645425063 565524806 /nfs/dbraw/zinc/52/48/06/565524806.db2.gz XPKWYHMNVALBCC-QWHCGFSZSA-N 1 0 385.327 2.867 20 0 GFADRO O=S1(=O)CCCN1CCC[NH2+][C@H]1CCc2sc(Br)cc21 ZINC000645421054 565525200 /nfs/dbraw/zinc/52/52/00/565525200.db2.gz JBLPBUFFTPWERR-NSHDSACASA-N 1 0 379.345 2.513 20 0 GFADRO Cc1cc(Br)c(CNC(=O)Nc2ccn(CC[NH+](C)C)n2)s1 ZINC000666183663 565527023 /nfs/dbraw/zinc/52/70/23/565527023.db2.gz MISXSUUDLAKNHO-UHFFFAOYSA-N 1 0 386.319 2.899 20 0 GFADRO O=S(=O)(CCOCC1CCC1)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000645504411 565532580 /nfs/dbraw/zinc/53/25/80/565532580.db2.gz LRMCYXPOIGGXTH-UHFFFAOYSA-N 1 0 386.583 2.696 20 0 GFADRO O=C1[C@@H]([NH2+]CC2=Cc3cc(Br)ccc3OC2)CCN1C1CCC1 ZINC000623841434 565532937 /nfs/dbraw/zinc/53/29/37/565532937.db2.gz VKFQAFFBJJFYQC-INIZCTEOSA-N 1 0 377.282 2.968 20 0 GFADRO Cc1ccc(Br)cc1[C@H](C)[NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000623923440 565535284 /nfs/dbraw/zinc/53/52/84/565535284.db2.gz ATQLNVITGNEPHH-STQMWFEESA-N 1 0 375.332 2.690 20 0 GFADRO C[C@@H](CNc1nccc(-c2ccc(Br)cc2)n1)N1CC[NH+](C)CC1 ZINC000623931790 565536508 /nfs/dbraw/zinc/53/65/08/565536508.db2.gz KIUFPJRIJURRAW-AWEZNQCLSA-N 1 0 390.329 2.954 20 0 GFADRO C[C@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000623923791 565536541 /nfs/dbraw/zinc/53/65/41/565536541.db2.gz LOGZRCDJHUKVEG-MNOVXSKESA-N 1 0 399.866 2.556 20 0 GFADRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)[C@@H]1CCO[C@H]1c1cncc(Br)c1 ZINC000666451106 565538043 /nfs/dbraw/zinc/53/80/43/565538043.db2.gz INPJYICPYQUCQN-TWMKSMIVSA-N 1 0 394.313 2.665 20 0 GFADRO COc1cccc([C@@H](C[NH2+][C@@H](C)Cn2cc(Br)ccc2=O)OC)c1 ZINC000624032682 565539720 /nfs/dbraw/zinc/53/97/20/565539720.db2.gz VNXBGDFGWCZSOD-SUMWQHHRSA-N 1 0 395.297 2.985 20 0 GFADRO CS(=O)(=O)N1CCC([NH2+]CC/C=C\c2ccc(Br)cc2)CC1 ZINC000624046105 565540368 /nfs/dbraw/zinc/54/03/68/565540368.db2.gz WTDNJJFOXDMJAD-RQOWECAXSA-N 1 0 387.343 2.866 20 0 GFADRO COc1ncc(Br)cc1C[NH2+][C@H](C)c1ccc(-n2cnnn2)cc1 ZINC000624132874 565543756 /nfs/dbraw/zinc/54/37/56/565543756.db2.gz BOFWQEKOPORPEZ-LLVKDONJSA-N 1 0 389.257 2.679 20 0 GFADRO CC(C)[N@H+](C)CCNC(=O)Nc1ccc(I)cc1F ZINC000597019265 565546703 /nfs/dbraw/zinc/54/67/03/565546703.db2.gz WSCVFRATTCTYCW-UHFFFAOYSA-N 1 0 379.217 2.892 20 0 GFADRO COc1ncc(S(=O)(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1Cl ZINC000645645622 565547248 /nfs/dbraw/zinc/54/72/48/565547248.db2.gz FRUCASRSFUPCRI-QWHCGFSZSA-N 1 0 387.933 2.675 20 0 GFADRO COc1ncc(S(=O)(=O)N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1Cl ZINC000645645621 565547677 /nfs/dbraw/zinc/54/76/77/565547677.db2.gz FRUCASRSFUPCRI-OLZOCXBDSA-N 1 0 387.933 2.675 20 0 GFADRO C[C@@H]1[C@H](C)N(C(=O)Nc2ccc(I)cc2F)CC[N@H+]1C ZINC000597024341 565548256 /nfs/dbraw/zinc/54/82/56/565548256.db2.gz HJOYDUVRUVNFIT-ZJUUUORDSA-N 1 0 391.228 2.987 20 0 GFADRO O=C1NC(=O)C2(CCC([NH2+][C@H](CCO)c3cc(Cl)cc(Cl)c3)CC2)N1 ZINC000624289848 565549945 /nfs/dbraw/zinc/54/99/45/565549945.db2.gz QFVCTMLPPKKKNS-XOYHFGRZSA-N 1 0 386.279 2.527 20 0 GFADRO C[NH2+]CC1CCN(S(=O)(=O)c2cc(F)c(Br)cc2C)CC1 ZINC000624354759 565552178 /nfs/dbraw/zinc/55/21/78/565552178.db2.gz QBRQJNVRIOBAFY-UHFFFAOYSA-N 1 0 379.295 2.517 20 0 GFADRO Cc1cc(Br)c(F)cc1S(=O)(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000624361998 565552472 /nfs/dbraw/zinc/55/24/72/565552472.db2.gz DJJTVFVAKXWKIW-COPLHBTASA-N 1 0 391.306 2.645 20 0 GFADRO C[NH+]1CCN(CC2CN(c3nc4c(cccc4Br)s3)C2)CC1 ZINC000624365067 565553314 /nfs/dbraw/zinc/55/33/14/565553314.db2.gz JDBXYWBBOBPVAK-UHFFFAOYSA-N 1 0 381.343 2.742 20 0 GFADRO CC[C@@H]1CN(S(=O)(=O)c2cc(F)c(Br)cc2C)CC[C@H]1[NH3+] ZINC000624362258 565553768 /nfs/dbraw/zinc/55/37/68/565553768.db2.gz MALHGGWSZXEABP-ZWNOBZJWSA-N 1 0 379.295 2.645 20 0 GFADRO C[C@]12C[NH2+]C[C@@]1(C)CN(S(=O)(=O)c1ccc(C(F)(F)F)cc1Cl)C2 ZINC000624412265 565557117 /nfs/dbraw/zinc/55/71/17/565557117.db2.gz QUOARJWWLZTYFH-OKILXGFUSA-N 1 0 382.835 2.979 20 0 GFADRO COc1cc(Br)c(NC(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)cc1OC ZINC000666919597 565562084 /nfs/dbraw/zinc/56/20/84/565562084.db2.gz KJXBGAGMJKFNTA-GXFFZTMASA-N 1 0 384.274 2.682 20 0 GFADRO CC(C)[NH2+][C@@H]1CCCN(C(=O)CCNC(=O)c2ccc(Br)cc2)C1 ZINC000624567873 565563857 /nfs/dbraw/zinc/56/38/57/565563857.db2.gz GBVYELRJMRJQOK-MRXNPFEDSA-N 1 0 396.329 2.558 20 0 GFADRO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(C(=O)c2ccsc2Cl)CC1 ZINC000667120761 565570416 /nfs/dbraw/zinc/57/04/16/565570416.db2.gz FFZZVOAFZXOSMX-UHFFFAOYSA-N 1 0 385.961 2.958 20 0 GFADRO C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1cc(I)c(F)cc1F ZINC000597702241 565571069 /nfs/dbraw/zinc/57/10/69/565571069.db2.gz ZNFHYNCHTKIOCJ-SDBXPKJASA-N 1 0 394.203 2.734 20 0 GFADRO CC[C@H](NC(=O)NC[C@H]1COCCN1C)c1cc(F)cc(Br)c1 ZINC000624731453 565573075 /nfs/dbraw/zinc/57/30/75/565573075.db2.gz PVFXMDNEPOUKBG-GJZGRUSLSA-N 1 0 388.281 2.669 20 0 GFADRO CN1CCN(C(=O)Nc2ccc(C(F)(F)F)cc2Br)[C@H](C[NH3+])C1 ZINC000667272943 565580475 /nfs/dbraw/zinc/58/04/75/565580475.db2.gz WRYGPCQOOJQDAT-SNVBAGLBSA-N 1 0 395.223 2.575 20 0 GFADRO C[C@@]([NH3+])(C(=O)NCc1cc2c([nH]c1=O)CCC2)c1ccc(Br)cc1 ZINC000645986719 565580612 /nfs/dbraw/zinc/58/06/12/565580612.db2.gz FRYAHGCGIFBSAQ-SFHVURJKSA-N 1 0 390.281 2.529 20 0 GFADRO O=C(NCCCc1ccc(Cl)cc1Cl)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000646140305 565588332 /nfs/dbraw/zinc/58/83/32/565588332.db2.gz ZIKAEKIVKMIDPD-AWEZNQCLSA-N 1 0 382.295 2.700 20 0 GFADRO CCN(C(=O)c1ccc(F)cc1I)[C@@H]1CC[N@H+](CC)C1 ZINC000598040472 565589801 /nfs/dbraw/zinc/58/98/01/565589801.db2.gz GAKZJCNFEUMPOY-GFCCVEGCSA-N 1 0 390.240 2.987 20 0 GFADRO C[C@H]([NH3+])C[C@H](C)NC(=O)N1CCN(CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000646214258 565590330 /nfs/dbraw/zinc/59/03/30/565590330.db2.gz QDGAZJRFXQSPMT-KBPBESRZSA-N 1 0 387.355 2.989 20 0 GFADRO CC1(C)C[NH2+][C@@H]1C(=O)NC1CCN(Cc2ccc(Br)cc2)CC1 ZINC000646241795 565591436 /nfs/dbraw/zinc/59/14/36/565591436.db2.gz JVZDJCKMDRYQIM-MRXNPFEDSA-N 1 0 380.330 2.528 20 0 GFADRO CC(C)Sc1ccc(Cl)cc1NC(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000667540545 565593210 /nfs/dbraw/zinc/59/32/10/565593210.db2.gz NTJKVXYPMHDJFU-SWLSCSKDSA-N 1 0 381.929 2.989 20 0 GFADRO O=C(Nc1cc(F)ccc1Br)C(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000667534280 565593366 /nfs/dbraw/zinc/59/33/66/565593366.db2.gz CLTLNNQETLVQBC-UHFFFAOYSA-N 1 0 398.276 2.519 20 0 GFADRO C[C@@H]1COCC[N@@H+]1C1CCN(C(=O)c2cc(F)cc(Br)c2)CC1 ZINC000646318735 565596392 /nfs/dbraw/zinc/59/63/92/565596392.db2.gz AEWOXMDOMWZWDF-GFCCVEGCSA-N 1 0 385.277 2.914 20 0 GFADRO CN1CC[NH+](CC2CN(C(=O)CCCSc3ccc(Cl)cc3)C2)CC1 ZINC000646461410 565603117 /nfs/dbraw/zinc/60/31/17/565603117.db2.gz VYTPGSZJQQCQQK-UHFFFAOYSA-N 1 0 381.973 2.918 20 0 GFADRO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000646472962 565605236 /nfs/dbraw/zinc/60/52/36/565605236.db2.gz MNIAVFFEWZXZEM-KFNAQCHYSA-N 1 0 384.307 2.897 20 0 GFADRO O=S(=O)(c1ccc(CC[NH2+][C@@H]2CO[C@H](C3CC3)C2)s1)N1CCCCC1 ZINC000667883827 565610568 /nfs/dbraw/zinc/61/05/68/565610568.db2.gz CSHVLDNGHRPBGQ-RDJZCZTQSA-N 1 0 384.567 2.622 20 0 GFADRO CCCN(C(=O)C(=O)Nc1cc(C)c(Br)c(C)c1)[C@H]1CC[N@H+](C)C1 ZINC000646763746 565618206 /nfs/dbraw/zinc/61/82/06/565618206.db2.gz IADISXKCHFGPFQ-HNNXBMFYSA-N 1 0 396.329 2.947 20 0 GFADRO O=C(NCC1CC[NH+](CC2CC2)CC1)c1ccc(I)cn1 ZINC000598544415 565624830 /nfs/dbraw/zinc/62/48/30/565624830.db2.gz XCASUHGROMEADE-UHFFFAOYSA-N 1 0 399.276 2.538 20 0 GFADRO Cc1sc2nc(C)nc(SCC(=O)N3CC[C@H]4C[N@@H+](C)C[C@H]43)c2c1C ZINC000646934897 565626431 /nfs/dbraw/zinc/62/64/31/565626431.db2.gz XMSNAJFARTYTOE-UONOGXRCSA-N 1 0 376.551 2.871 20 0 GFADRO C[C@@H](CNC(=O)[C@@H]1CCO[C@H]1c1cncc(Br)c1)[N@H+](C)C1CC1 ZINC000668095108 565626864 /nfs/dbraw/zinc/62/68/64/565626864.db2.gz BFYNOJZPVTVRCY-XZJROXQQSA-N 1 0 382.302 2.521 20 0 GFADRO Cc1cc(C(=O)N2CC[C@@H]3C[N@@H+](C)C[C@H]32)nn1-c1ccc(Br)cc1 ZINC000646924156 565626911 /nfs/dbraw/zinc/62/69/11/565626911.db2.gz CFSRWSQPCXIGMA-CXAGYDPISA-N 1 0 389.297 2.719 20 0 GFADRO Cc1ncsc1-c1ccc(C[NH+]2CCC(CNS(C)(=O)=O)CC2)cc1 ZINC000668142038 565629996 /nfs/dbraw/zinc/62/99/96/565629996.db2.gz QXIJSNFXCQIEBU-UHFFFAOYSA-N 1 0 379.551 2.880 20 0 GFADRO COCC[C@@H](Cc1cccc(Br)c1)C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000646987868 565630874 /nfs/dbraw/zinc/63/08/74/565630874.db2.gz SZNSVKXOYBHRQH-RDJZCZTQSA-N 1 0 383.330 2.903 20 0 GFADRO COCCN(Cc1ccc(-c2scnc2C)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000668170673 565631324 /nfs/dbraw/zinc/63/13/24/565631324.db2.gz WWLPOSUYABYALL-KRWDZBQOSA-N 1 0 380.535 2.754 20 0 GFADRO CC[C@H]1CN(C(=O)c2cc(=O)[nH]c3c(Br)cccc23)CC[C@H]1[NH3+] ZINC000647007666 565632222 /nfs/dbraw/zinc/63/22/22/565632222.db2.gz FLBCVBMJNPBOOU-IINYFYTJSA-N 1 0 378.270 2.902 20 0 GFADRO Cn1cc([C@@H]2C[N@H+](Cc3ccncc3Br)CC23CCOCC3)cn1 ZINC000625456963 565632369 /nfs/dbraw/zinc/63/23/69/565632369.db2.gz WLECKJKCJGESKK-INIZCTEOSA-N 1 0 391.313 2.974 20 0 GFADRO CC[C@H]1CN(C(=O)c2nnn(-c3cccc(Br)c3)c2C)CC[C@@H]1[NH3+] ZINC000647009365 565632301 /nfs/dbraw/zinc/63/23/01/565632301.db2.gz BUMXLQYVRKNHLY-WFASDCNBSA-N 1 0 392.301 2.538 20 0 GFADRO Cc1nnc([C@@H]2CC[N@@H+]([C@@H]3CCc4cc(Br)ccc4NC3=O)C2)[nH]1 ZINC000625471732 565632429 /nfs/dbraw/zinc/63/24/29/565632429.db2.gz LUGZNQLXGVKWQA-IUODEOHRSA-N 1 0 390.285 2.618 20 0 GFADRO CC[C@@H]1CN(C(=O)c2cnn(-c3ccc(Br)cc3)c2)CC[C@H]1[NH3+] ZINC000647010553 565632499 /nfs/dbraw/zinc/63/24/99/565632499.db2.gz SQGYPEDKNQYSSO-MLGOLLRUSA-N 1 0 377.286 2.834 20 0 GFADRO [NH3+][C@]12CCC[C@H]1CN(C(=O)CCC[S@@](=O)c1ccc(Br)cc1)C2 ZINC000598667837 565633068 /nfs/dbraw/zinc/63/30/68/565633068.db2.gz MYRDVRFHMJYFLE-SJZFEPBNSA-N 1 0 399.354 2.677 20 0 GFADRO [NH3+][C@@]12CCC[C@@H]1CN(C(=O)c1cc(Cl)ccc1I)C2 ZINC000598669619 565634071 /nfs/dbraw/zinc/63/40/71/565634071.db2.gz KBUHHAGVUWFIQB-YMTOWFKASA-N 1 0 390.652 2.898 20 0 GFADRO C[C@@H](Oc1cc(Cl)cc(Cl)c1)C(=O)N1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000647079342 565635420 /nfs/dbraw/zinc/63/54/20/565635420.db2.gz WSDZFPYXGLFYRL-OLZOCXBDSA-N 1 0 387.307 2.975 20 0 GFADRO CC(C)C[C@@H]([NH3+])c1noc(CCNC(=O)c2cc(F)ccc2Br)n1 ZINC000647131573 565640634 /nfs/dbraw/zinc/64/06/34/565640634.db2.gz IMCBANXRTPEUOW-CYBMUJFWSA-N 1 0 399.264 2.990 20 0 GFADRO COC(=O)[C@@H]1CN(C(=O)[C@H](C)Cc2ccc(Cl)cc2Cl)CC[N@H+](C)C1 ZINC000598793250 565642633 /nfs/dbraw/zinc/64/26/33/565642633.db2.gz YMJIUIOWINHFNJ-OCCSQVGLSA-N 1 0 387.307 2.735 20 0 GFADRO OC1CC[NH+](CCCNCc2cc(OC(F)F)ccc2Br)CC1 ZINC000647174475 565642841 /nfs/dbraw/zinc/64/28/41/565642841.db2.gz BZQAFZOCCFYPNO-UHFFFAOYSA-N 1 0 393.272 2.987 20 0 GFADRO C[C@H]1CN(CC[NH2+]Cc2cc(OC(F)F)ccc2Br)CCO1 ZINC000647180417 565644852 /nfs/dbraw/zinc/64/48/52/565644852.db2.gz XVDFPCMFJYHAMM-NSHDSACASA-N 1 0 379.245 2.861 20 0 GFADRO C[C@@H](NS(=O)(=O)Cc1ccc(Br)cc1Cl)[C@@H]1CCC[NH2+]C1 ZINC000647203991 565646345 /nfs/dbraw/zinc/64/63/45/565646345.db2.gz HYFPSAHXRGOVEH-GHMZBOCLSA-N 1 0 395.750 2.910 20 0 GFADRO CC(C)Cn1nccc1C[NH2+]CCCNS(=O)(=O)c1ccccc1Cl ZINC000647208323 565646369 /nfs/dbraw/zinc/64/63/69/565646369.db2.gz KQWWOWLOOGSEEB-UHFFFAOYSA-N 1 0 384.933 2.651 20 0 GFADRO OC[C@@H]([NH2+]Cc1cc(OC(F)F)ccc1Br)[C@H]1CCCOC1 ZINC000647218125 565646982 /nfs/dbraw/zinc/64/69/82/565646982.db2.gz WSFBCSDDOWQHLB-IINYFYTJSA-N 1 0 380.229 2.928 20 0 GFADRO COC[C@@H](C[NH2+]Cc1ccc(S(N)(=O)=O)cc1F)c1ccc(Cl)cc1 ZINC000647214894 565646997 /nfs/dbraw/zinc/64/69/97/565646997.db2.gz WSOLPYBVQXKJBN-CQSZACIVSA-N 1 0 386.876 2.646 20 0 GFADRO Cc1cc(Br)c(S(=O)(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)s1 ZINC000647237802 565648183 /nfs/dbraw/zinc/64/81/83/565648183.db2.gz WMVUCJGDGQUMBL-DGCLKSJQSA-N 1 0 393.372 2.972 20 0 GFADRO O=S(=O)(c1cccc(Br)c1F)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647238782 565648194 /nfs/dbraw/zinc/64/81/94/565648194.db2.gz UWMCJKXQMZCXMD-WCQYABFASA-N 1 0 391.306 2.741 20 0 GFADRO COCCOc1c(Cl)cc(S(=O)(=O)N2CCC(C)([NH3+])CC2)cc1Cl ZINC000647254767 565649189 /nfs/dbraw/zinc/64/91/89/565649189.db2.gz SSGHLQWMCUWQLR-UHFFFAOYSA-N 1 0 397.324 2.521 20 0 GFADRO CC(C)(C)c1nc2ccc(S(=O)(=O)N3CC[C@@H]4CC[NH2+][C@H]4C3)cc2s1 ZINC000647263779 565650451 /nfs/dbraw/zinc/65/04/51/565650451.db2.gz BKWZTCJLNUNNNN-WFASDCNBSA-N 1 0 379.551 2.966 20 0 GFADRO CCOC(=O)c1[nH]c(C)c(C[NH2+]CCCn2cc(Br)cn2)c1C ZINC000598974150 565651842 /nfs/dbraw/zinc/65/18/42/565651842.db2.gz OHCVLKWLOSJQRQ-UHFFFAOYSA-N 1 0 383.290 2.947 20 0 GFADRO Brc1cc(CN2CC[NH+]([C@@H]3CCOC3)CC2)cc2c1OCCCO2 ZINC000668537360 565652568 /nfs/dbraw/zinc/65/25/68/565652568.db2.gz MZJGMVUDYFZCJV-OAHLLOKOSA-N 1 0 397.313 2.517 20 0 GFADRO CCOc1cc(C[NH2+][C@H]2CC[C@@H](C)S(=O)(=O)C2)cc(Br)c1O ZINC000668561590 565655113 /nfs/dbraw/zinc/65/51/13/565655113.db2.gz KFZHRCRMKYSBKS-PWSUYJOCSA-N 1 0 392.315 2.609 20 0 GFADRO O=S(=O)(c1cnccc1C(F)(F)F)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647307456 565655306 /nfs/dbraw/zinc/65/53/06/565655306.db2.gz AOQNMYWTRCWTKQ-CHWSQXEVSA-N 1 0 377.432 2.501 20 0 GFADRO CNS(=O)(=O)CCC[N@@H+]1CC[C@H](Sc2ccc(Br)cc2)C1 ZINC000625699600 565655645 /nfs/dbraw/zinc/65/56/45/565655645.db2.gz DDUUYIAXAQWKGO-AWEZNQCLSA-N 1 0 393.372 2.555 20 0 GFADRO C[C@@H](CCC[NH3+])NS(=O)(=O)c1ccc(Br)cc1C(F)(F)F ZINC000647311953 565656280 /nfs/dbraw/zinc/65/62/80/565656280.db2.gz XXHFTRPCXMZIIW-QMMMGPOBSA-N 1 0 389.237 2.874 20 0 GFADRO CC1(NS(=O)(=O)Cc2ccc(Br)cc2Cl)CC[NH2+]CC1 ZINC000647323930 565658285 /nfs/dbraw/zinc/65/82/85/565658285.db2.gz DXJXVROYVNTCLR-UHFFFAOYSA-N 1 0 381.723 2.664 20 0 GFADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CC[C@@H]1c1ccc(Br)cc1 ZINC000668624720 565658500 /nfs/dbraw/zinc/65/85/00/565658500.db2.gz AQQBJXFXXKQMLM-XJKSGUPXSA-N 1 0 396.329 2.569 20 0 GFADRO Cc1cc(C)n(CC[NH2+][C@@]2(CO)CCc3cc(Br)ccc3C2)n1 ZINC000625795055 565659409 /nfs/dbraw/zinc/65/94/09/565659409.db2.gz QBKLQHZNDKFOIM-SFHVURJKSA-N 1 0 378.314 2.772 20 0 GFADRO Brc1ccn2cc(C[N@H+](CCN3CCOCC3)CC3CC3)nc2c1 ZINC000668682176 565660729 /nfs/dbraw/zinc/66/07/29/565660729.db2.gz ZUAGLJNCNRHFQG-UHFFFAOYSA-N 1 0 393.329 2.641 20 0 GFADRO [NH3+]CCCOCCNC(=O)Nc1cc(Br)ccc1Br ZINC000625841989 565662779 /nfs/dbraw/zinc/66/27/79/565662779.db2.gz MKIDXBRXWVYELM-UHFFFAOYSA-N 1 0 395.095 2.699 20 0 GFADRO COc1cc(NC(=O)CC[NH2+][C@H](C)[C@H](O)C(F)(F)F)c(OC)cc1Cl ZINC000647515012 565662928 /nfs/dbraw/zinc/66/29/28/565662928.db2.gz LMSQEDBTEPTFBG-CLAHSXSESA-N 1 0 384.782 2.587 20 0 GFADRO COc1c(Br)cc(Cl)cc1NC(=O)NCC1([NH3+])CCOCC1 ZINC000625858719 565663720 /nfs/dbraw/zinc/66/37/20/565663720.db2.gz OCYDTESYRNPUNA-UHFFFAOYSA-N 1 0 392.681 2.741 20 0 GFADRO CN(CCOCC[NH3+])C(=O)Nc1ccc(C(F)(F)F)c(Br)c1 ZINC000625881730 565664841 /nfs/dbraw/zinc/66/48/41/565664841.db2.gz FVKDIXWYTQBWKL-UHFFFAOYSA-N 1 0 384.196 2.907 20 0 GFADRO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N1CCC(Sc2ccc(Cl)cc2)CC1 ZINC000647597829 565665205 /nfs/dbraw/zinc/66/52/05/565665205.db2.gz RWCCNEJSTJSVJU-QWHCGFSZSA-N 1 0 383.945 2.665 20 0 GFADRO COc1ncc(Br)cc1CNC(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000625897460 565666096 /nfs/dbraw/zinc/66/60/96/565666096.db2.gz CTBMIEYPQSPFKK-UHFFFAOYSA-N 1 0 377.242 2.778 20 0 GFADRO C[NH+](C)[C@]1(CNC(=O)c2ccc(Br)c(F)c2F)CCSC1 ZINC000625985190 565667809 /nfs/dbraw/zinc/66/78/09/565667809.db2.gz FRZVHGIWZZGSQE-AWEZNQCLSA-N 1 0 379.270 2.894 20 0 GFADRO O=C(Cc1ccc(Br)cc1F)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000668913819 565669969 /nfs/dbraw/zinc/66/99/69/565669969.db2.gz JRIPKXYKOWUBIT-CYBMUJFWSA-N 1 0 399.304 2.748 20 0 GFADRO O=C(N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1)C1(c2ccc(Br)cc2)CCC1 ZINC000647709564 565672138 /nfs/dbraw/zinc/67/21/38/565672138.db2.gz YTYUQXDRYNYESD-DLBZAZTESA-N 1 0 393.325 2.538 20 0 GFADRO Cc1noc([C@@H]2OCC[C@@H]2[NH2+]CCC(=O)Nc2cccc(Br)c2)n1 ZINC000626143745 565677887 /nfs/dbraw/zinc/67/78/87/565677887.db2.gz DOMYPRIZDCIHML-DZGCQCFKSA-N 1 0 395.257 2.589 20 0 GFADRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1cc(Br)cc2c1OCCO2 ZINC000669118797 565678632 /nfs/dbraw/zinc/67/86/32/565678632.db2.gz OTSZKIXFGVFJCY-FZMZJTMJSA-N 1 0 383.286 2.633 20 0 GFADRO C[C@@H](NC(=O)c1cc(Br)cc2[nH]c(=O)[nH]c21)C(C)(C)C[NH+](C)C ZINC000669154076 565679319 /nfs/dbraw/zinc/67/93/19/565679319.db2.gz CEECPEAPIADPHA-SECBINFHSA-N 1 0 383.290 2.737 20 0 GFADRO CNS(=O)(=O)C[C@@H]1CCC[N@H+](CCOc2cc(Cl)cc(Cl)c2)C1 ZINC000626167916 565681389 /nfs/dbraw/zinc/68/13/89/565681389.db2.gz GGXGMINIOWCDDM-GFCCVEGCSA-N 1 0 381.325 2.633 20 0 GFADRO C[C@H]1C[C@@H](NC(=O)[C@@H]2CCO[C@H]2c2cncc(Br)c2)CC[N@@H+]1C ZINC000669184386 565681550 /nfs/dbraw/zinc/68/15/50/565681550.db2.gz YRHIRJAAFVGKOT-KSYCFECVSA-N 1 0 382.302 2.521 20 0 GFADRO CNS(=O)(=O)C[C@H]1CCC[N@H+](CCOc2ccc(Cl)cc2Cl)C1 ZINC000626171373 565681815 /nfs/dbraw/zinc/68/18/15/565681815.db2.gz ZUGGSMHHAWVIBR-LBPRGKRZSA-N 1 0 381.325 2.633 20 0 GFADRO Ic1ccc(CN2CCC([NH+]3CCOCC3)CC2)cc1 ZINC000599473168 565681992 /nfs/dbraw/zinc/68/19/92/565681992.db2.gz ZDFRVZRUKSLTAE-UHFFFAOYSA-N 1 0 386.277 2.588 20 0 GFADRO O=C(NC[C@H]1CCN(c2cccc(Br)c2)C1)N[C@H]1CCC[NH2+]CC1 ZINC000669411022 565687855 /nfs/dbraw/zinc/68/78/55/565687855.db2.gz KPPGZTDHUONHOI-ZBFHGGJFSA-N 1 0 395.345 2.717 20 0 GFADRO COC(=O)[C@]1(OC)CC[N@H+](CCC(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000599570674 565689887 /nfs/dbraw/zinc/68/98/87/565689887.db2.gz UZFFJTQVNCCZOS-INIZCTEOSA-N 1 0 375.252 2.586 20 0 GFADRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1Cc1ccnc2c(Br)cccc12 ZINC000648065963 565690172 /nfs/dbraw/zinc/69/01/72/565690172.db2.gz UJMRBFJMQHDHTN-CYBMUJFWSA-N 1 0 391.313 2.549 20 0 GFADRO COc1ccc([C@@H](NC(=O)COCC[NH3+])c2ccccc2)cc1Br ZINC000648067936 565690237 /nfs/dbraw/zinc/69/02/37/565690237.db2.gz LMSDZHROJRQNSW-SFHVURJKSA-N 1 0 393.281 2.639 20 0 GFADRO C[C@H](CNC(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1)Oc1ccc(Br)cc1 ZINC000669506304 565691172 /nfs/dbraw/zinc/69/11/72/565691172.db2.gz MQGVGADISKONJT-DVOMOZLQSA-N 1 0 382.302 2.610 20 0 GFADRO C[C@H](CNC(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1)Oc1ccccc1Br ZINC000669518118 565691586 /nfs/dbraw/zinc/69/15/86/565691586.db2.gz JPBDTXJROUIKQI-VNHYZAJKSA-N 1 0 382.302 2.610 20 0 GFADRO O=C(NCCOc1ncc(Cl)cc1Cl)NCc1ccc2c(c1)C[NH2+]C2 ZINC000669533377 565692745 /nfs/dbraw/zinc/69/27/45/565692745.db2.gz NBLIFQOZLMEWCR-UHFFFAOYSA-N 1 0 381.263 2.870 20 0 GFADRO COC(=O)c1c(C)csc1NC(=O)N1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000599604108 565692866 /nfs/dbraw/zinc/69/28/66/565692866.db2.gz LLSYXIDHYMDCIJ-NXEZZACHSA-N 1 0 379.404 2.834 20 0 GFADRO O=C(NCC[C@H]1CCC[NH2+]C1)N[C@@H]1CCOc2c(Br)cccc21 ZINC000669580755 565693402 /nfs/dbraw/zinc/69/34/02/565693402.db2.gz DMUALRCXZUVFFO-IUODEOHRSA-N 1 0 382.302 2.962 20 0 GFADRO C[C@@H]1CC[C@@H](NC(=O)Nc2cccc(F)c2I)C[NH2+]1 ZINC000599611595 565694187 /nfs/dbraw/zinc/69/41/87/565694187.db2.gz KUZSPBCJCLXZQI-RKDXNWHRSA-N 1 0 377.201 2.692 20 0 GFADRO O=C(CCNC(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1)Nc1cc(Cl)cc(Cl)c1 ZINC000669592144 565694233 /nfs/dbraw/zinc/69/42/33/565694233.db2.gz CXSFEZICCGPOQZ-IAQYHMDHSA-N 1 0 385.295 2.715 20 0 GFADRO Cc1cc(Br)cc(C)c1N1CCC[C@H](NC(=O)NC[C@@H](C)[NH3+])C1 ZINC000669584716 565694328 /nfs/dbraw/zinc/69/43/28/565694328.db2.gz IBSCIDIPPVIZHF-HIFRSBDPSA-N 1 0 383.334 2.681 20 0 GFADRO CCc1ccc([C@H]2CN(C(=O)CCn3cc(Br)cn3)CCN2)cc1 ZINC000669725059 565700720 /nfs/dbraw/zinc/70/07/20/565700720.db2.gz JKCRZBPRMXYPLF-QGZVFWFLSA-N 1 0 391.313 2.771 20 0 GFADRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1c2ccc(Br)cc2nn1C ZINC000648299216 565701705 /nfs/dbraw/zinc/70/17/05/565701705.db2.gz HUICDUINUANVOV-XHDPSFHLSA-N 1 0 379.302 2.748 20 0 GFADRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1c2ccc(Br)cc2nn1C ZINC000648299215 565701870 /nfs/dbraw/zinc/70/18/70/565701870.db2.gz HUICDUINUANVOV-NHYWBVRUSA-N 1 0 379.302 2.748 20 0 GFADRO CS(=O)(=O)N1CC[C@@H](C[N@@H+]2CCC[C@H](c3nc4ccccc4s3)C2)C1 ZINC000669931221 565708086 /nfs/dbraw/zinc/70/80/86/565708086.db2.gz MSHFIIHFZPIKKT-GJZGRUSLSA-N 1 0 379.551 2.757 20 0 GFADRO CSc1ccc(NC(=O)C(=O)N[C@@H](C[NH3+])CC(C)C)cc1Br ZINC000626831705 565711749 /nfs/dbraw/zinc/71/17/49/565711749.db2.gz KERQUADVRAKQRZ-LLVKDONJSA-N 1 0 388.331 2.599 20 0 GFADRO CSc1ccc(NC(=O)C(=O)N[C@H](C[NH3+])CC(C)C)cc1Br ZINC000626831706 565712487 /nfs/dbraw/zinc/71/24/87/565712487.db2.gz KERQUADVRAKQRZ-NSHDSACASA-N 1 0 388.331 2.599 20 0 GFADRO CCCC[C@H](C[NH3+])NC(=O)C(=O)Nc1cc(Cl)c(Br)cc1F ZINC000626833588 565712528 /nfs/dbraw/zinc/71/25/28/565712528.db2.gz PFLULWICMRTJRG-MRVPVSSYSA-N 1 0 394.672 2.814 20 0 GFADRO CCOc1c(Cl)cc(NC(=O)C(=O)N[C@@H]2CC[NH2+]C23CCC3)cc1Cl ZINC000626851518 565712829 /nfs/dbraw/zinc/71/28/29/565712829.db2.gz SIQPZSVDSSUGQS-CYBMUJFWSA-N 1 0 386.279 2.731 20 0 GFADRO Cc1cc(Br)cc(Cl)c1NC(=O)C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000626888523 565714314 /nfs/dbraw/zinc/71/43/14/565714314.db2.gz VOCPXCQTXSIZEX-KOLCDFICSA-N 1 0 388.693 2.606 20 0 GFADRO C[C@H]1CC[C@@H](NC(=O)C(=O)Nc2ccc(Br)c3ccccc23)C[NH2+]1 ZINC000626891168 565714321 /nfs/dbraw/zinc/71/43/21/565714321.db2.gz ULUQGXNJUCLJNK-NWDGAFQWSA-N 1 0 390.281 2.798 20 0 GFADRO C[NH2+]CCOCCN(C)C(=O)NCC(C)(C)c1ccc(Br)cc1 ZINC000626940925 565716057 /nfs/dbraw/zinc/71/60/57/565716057.db2.gz FGYYPEKRIMJPIY-UHFFFAOYSA-N 1 0 386.334 2.604 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000626959256 565717207 /nfs/dbraw/zinc/71/72/07/565717207.db2.gz AMRKSGVCWXEKHS-GXTWGEPZSA-N 1 0 397.317 2.526 20 0 GFADRO COC(=O)c1ccc(C[NH2+][C@]2(CO)CCc3cc(Br)ccc3C2)[nH]1 ZINC000600189514 565717289 /nfs/dbraw/zinc/71/72/89/565717289.db2.gz GYQQTPVEHFCJPJ-GOSISDBHSA-N 1 0 393.281 2.573 20 0 GFADRO C[C@H](CNC(=O)N[C@H]1CC[NH2+]C12CCC2)Oc1ccccc1Br ZINC000626993362 565717820 /nfs/dbraw/zinc/71/78/20/565717820.db2.gz GFDQSIOQAVVNNT-DOMZBBRYSA-N 1 0 382.302 2.800 20 0 GFADRO O=C(NC[C@@H]1COCC[NH2+]1)NCC1(c2ccc(Br)cc2)CCCC1 ZINC000626983252 565717936 /nfs/dbraw/zinc/71/79/36/565717936.db2.gz HIQYSYMTRSSMQV-MRXNPFEDSA-N 1 0 396.329 2.549 20 0 GFADRO CC[C@@H](Cc1ccccc1Br)NC(=O)NCC1([NH3+])CCOCC1 ZINC000627000965 565718925 /nfs/dbraw/zinc/71/89/25/565718925.db2.gz YOVHPTOQOYDUAM-AWEZNQCLSA-N 1 0 384.318 2.577 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)N[C@H]2COc3ccc(Cl)cc32)CC[C@@H]1C(F)(F)F ZINC000627000491 565719286 /nfs/dbraw/zinc/71/92/86/565719286.db2.gz QCUWJZJBVRUPBU-ICCXJUOJSA-N 1 0 377.794 2.942 20 0 GFADRO CCN(CC[NH3+])C(=O)N[C@@H](C)c1nc(-c2ccc(Br)cc2)no1 ZINC000627000274 565719306 /nfs/dbraw/zinc/71/93/06/565719306.db2.gz LZBDOADZPIHBSN-JTQLQIEISA-N 1 0 382.262 2.550 20 0 GFADRO Cc1cc(Br)ccc1[C@@H]1CCCN1C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000627102073 565721633 /nfs/dbraw/zinc/72/16/33/565721633.db2.gz GPIKZSGVIPVBEJ-ZBFHGGJFSA-N 1 0 382.302 2.592 20 0 GFADRO O=C(N[C@H]1CC[NH2+]C12CCC2)N1CCOc2cc(Br)ccc2C1 ZINC000627126315 565722918 /nfs/dbraw/zinc/72/29/18/565722918.db2.gz DKWLIYIHWFGABY-HNNXBMFYSA-N 1 0 380.286 2.638 20 0 GFADRO [NH3+]C1(CNC(=O)N2CCC[C@H]2c2ccc(Br)s2)CCOCC1 ZINC000627150189 565724127 /nfs/dbraw/zinc/72/41/27/565724127.db2.gz DDJOEERNQMFUNU-NSHDSACASA-N 1 0 388.331 2.865 20 0 GFADRO C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)NCCc1ccc(Cl)cc1Cl ZINC000670494760 565724812 /nfs/dbraw/zinc/72/48/12/565724812.db2.gz LMZNBLWZRBRDKB-ZDUSSCGKSA-N 1 0 386.323 2.643 20 0 GFADRO CC(C)[C@@](C)(NC(=O)NC[C@@H]1COCC[NH2+]1)c1ccc(Br)cc1 ZINC000627188130 565725650 /nfs/dbraw/zinc/72/56/50/565725650.db2.gz MCZXDXLSYQAWGU-NVXWUHKLSA-N 1 0 384.318 2.608 20 0 GFADRO C[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)c1cc2c(cc1Br)OCCO2 ZINC000648742106 565726335 /nfs/dbraw/zinc/72/63/35/565726335.db2.gz NNVGLDNGFIWXJB-QJPTWQEYSA-N 1 0 383.286 2.738 20 0 GFADRO [NH3+]CCCOCCNC(=O)N1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000627214800 565727087 /nfs/dbraw/zinc/72/70/87/565727087.db2.gz AFUPNRNQEMFCHM-CYBMUJFWSA-N 1 0 376.284 2.522 20 0 GFADRO [NH3+]CCCOCCNC(=O)N1CCC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000627215699 565727404 /nfs/dbraw/zinc/72/74/04/565727404.db2.gz MWUZVGUYJCPZHG-CQSZACIVSA-N 1 0 390.311 2.912 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)NCc2csc(C(F)(F)F)c2)CC12CCOCC2 ZINC000627224692 565727455 /nfs/dbraw/zinc/72/74/55/565727455.db2.gz NMESZMZAVWDOME-LBPRGKRZSA-N 1 0 377.432 2.664 20 0 GFADRO O=C(CCCOc1ccc(Cl)cc1Cl)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000627251344 565728666 /nfs/dbraw/zinc/72/86/66/565728666.db2.gz HAKREERQSRAZLB-CABCVRRESA-N 1 0 387.307 2.820 20 0 GFADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)c1c2ccc(Br)cc2nn1C ZINC000648786943 565729801 /nfs/dbraw/zinc/72/98/01/565729801.db2.gz WXYQYNVYFDBRCF-ZDUSSCGKSA-N 1 0 379.302 2.940 20 0 GFADRO Cc1cc(C(C)(C)C(=O)N2CC[C@H]([N@@H+]3CC[C@@H](O)C3)C2)ccc1Br ZINC000627267777 565729895 /nfs/dbraw/zinc/72/98/95/565729895.db2.gz SDEUYRZRNYHYNY-JKSUJKDBSA-N 1 0 395.341 2.703 20 0 GFADRO C[C@@H]1[C@H](C(=O)NC2CCN(Cc3ccc(Br)cc3)CC2)CC[N@@H+]1C ZINC000648828179 565732274 /nfs/dbraw/zinc/73/22/74/565732274.db2.gz QYFAMUGMNGCJEH-RDTXWAMCSA-N 1 0 394.357 2.870 20 0 GFADRO C[C@@H]1CC[C@@H](NC(=O)C(=O)N(Cc2cccs2)Cc2cccs2)C[NH2+]1 ZINC000627478101 565737197 /nfs/dbraw/zinc/73/71/97/565737197.db2.gz HMGODJWULSBNQF-ZIAGYGMSSA-N 1 0 377.535 2.595 20 0 GFADRO COc1cc(C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)cc(Br)c1OC ZINC000670785718 565737499 /nfs/dbraw/zinc/73/74/99/565737499.db2.gz VFXLMTJBWFKIKG-CYBMUJFWSA-N 1 0 383.286 2.680 20 0 GFADRO COc1cc(CN[C@@H]2CC[C@H](C)[NH2+]C2)cc(I)c1OC ZINC000600777462 565749541 /nfs/dbraw/zinc/74/95/41/565749541.db2.gz UKYWHRNTPCXLJZ-CMPLNLGQSA-N 1 0 390.265 2.539 20 0 GFADRO CCOC(=O)COc1c(Br)cc(C)cc1CN[C@@H]1CC[NH2+][C@H]1CC ZINC000600777643 565749845 /nfs/dbraw/zinc/74/98/45/565749845.db2.gz VSRRZDOFIRJCFA-JKSUJKDBSA-N 1 0 399.329 2.930 20 0 GFADRO CN(C(=O)c1ccc([S@@](C)=O)cc1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000600827436 565752037 /nfs/dbraw/zinc/75/20/37/565752037.db2.gz VWJRESGWXDGTRU-RUZDIDTESA-N 1 0 376.444 2.913 20 0 GFADRO CC[C@H](Cn1cncn1)[NH2+]C[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000671116938 565752665 /nfs/dbraw/zinc/75/26/65/565752665.db2.gz XVOKEKWNAKQZTQ-GOEBONIOSA-N 1 0 378.318 2.935 20 0 GFADRO COc1cc(CNC(=O)c2c[nH+]ccc2N(C)C)c(Br)cc1O ZINC000649195932 565753119 /nfs/dbraw/zinc/75/31/19/565753119.db2.gz ZKTBWQVPHORYSB-UHFFFAOYSA-N 1 0 380.242 2.554 20 0 GFADRO CC[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000600880748 565753806 /nfs/dbraw/zinc/75/38/06/565753806.db2.gz SSHJLSZJZRFSGQ-HOTGVXAUSA-N 1 0 387.355 2.860 20 0 GFADRO CC(C)[NH2+][C@H]1CCCN(C(=O)c2c3ccc(Br)cc3nn2C)C1 ZINC000649210822 565754066 /nfs/dbraw/zinc/75/40/66/565754066.db2.gz NZZQTHODBFPKCQ-ZDUSSCGKSA-N 1 0 379.302 2.938 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)NC[C@@H]1CCCC[N@@H+](C)C1 ZINC000627828541 565754584 /nfs/dbraw/zinc/75/45/84/565754584.db2.gz DQDOXCBUHXLMPW-AWEZNQCLSA-N 1 0 396.329 2.853 20 0 GFADRO O[C@H]1CCC[C@H]1[NH+]1CCN(c2ncc(Br)cc2C(F)(F)F)CC1 ZINC000649267932 565757157 /nfs/dbraw/zinc/75/71/57/565757157.db2.gz KXTJTOQBZOYLKU-OLZOCXBDSA-N 1 0 394.235 2.898 20 0 GFADRO C[N@@H+]1CCCC[C@H]1C(=O)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000600953073 565760370 /nfs/dbraw/zinc/76/03/70/565760370.db2.gz SLQSCEZSWRSARN-INIZCTEOSA-N 1 0 384.307 2.762 20 0 GFADRO CS(=O)(=O)c1cc(CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc(C(F)(F)F)c1 ZINC000671300531 565761066 /nfs/dbraw/zinc/76/10/66/565761066.db2.gz OPBLMMNSPNSWAB-LSDHHAIUSA-N 1 0 376.444 2.825 20 0 GFADRO O[C@@H](COc1cc(F)cc(Br)c1)C[NH+]1CCC(C2(O)CC2)CC1 ZINC000649671498 565772383 /nfs/dbraw/zinc/77/23/83/565772383.db2.gz YOCSDMSQRKPULD-OAHLLOKOSA-N 1 0 388.277 2.565 20 0 GFADRO C[C@@H](C(=O)N1CCC([NH+]2CCOCC2)CC1)c1ccc(Br)cc1 ZINC000628123905 565775085 /nfs/dbraw/zinc/77/50/85/565775085.db2.gz KETKBJAYWWDETI-CQSZACIVSA-N 1 0 381.314 2.876 20 0 GFADRO OCC[N@H+](Cc1cc(Cl)cc(Cl)c1OCCN1CCOCC1)C1CC1 ZINC000628135423 565776246 /nfs/dbraw/zinc/77/62/46/565776246.db2.gz WCEBXMXOQCDJNV-UHFFFAOYSA-N 1 0 389.323 2.661 20 0 GFADRO Cc1nc(CC[N@H+](Cc2cc(C)c(C)c(S(N)(=O)=O)c2)C2CC2)cs1 ZINC000649745778 565776761 /nfs/dbraw/zinc/77/67/61/565776761.db2.gz YMKBBHYDTJBWLN-UHFFFAOYSA-N 1 0 379.551 2.923 20 0 GFADRO COC[C@@H]1C[C@@H](O)C[N@@H+]1CC(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000649743456 565777406 /nfs/dbraw/zinc/77/74/06/565777406.db2.gz SKGRZRLCDLYYCB-VBQJREDUSA-N 1 0 387.307 2.739 20 0 GFADRO Cc1cccc(CC(=O)N2CCO[C@H](CCC[NH+](C)C)C2)c1Br ZINC000628159230 565777461 /nfs/dbraw/zinc/77/74/61/565777461.db2.gz KOIKPBOQORFJDE-MRXNPFEDSA-N 1 0 383.330 2.869 20 0 GFADRO Cc1cc(Br)cc(C)c1N1CCC[C@@H](N2C[C@H]3C[NH2+]C[C@H]3C2)C1=O ZINC000671678012 565779150 /nfs/dbraw/zinc/77/91/50/565779150.db2.gz AKIUIVZFEBGDGH-HLLBOEOZSA-N 1 0 392.341 2.713 20 0 GFADRO CS[C@H]1CN(C(=O)c2ccc3cncc(Br)c3n2)C[C@H]1[NH+](C)C ZINC000601379924 565779531 /nfs/dbraw/zinc/77/95/31/565779531.db2.gz PPGVFLGKLDNZFA-KGLIPLIRSA-N 1 0 395.326 2.510 20 0 GFADRO CO[C@H]1CCC[C@@H]([NH2+]CCNS(=O)(=O)c2cccc(Cl)c2Cl)C1 ZINC000671725634 565784064 /nfs/dbraw/zinc/78/40/64/565784064.db2.gz ZPRLZGFQMAEFBD-NEPJUHHUSA-N 1 0 381.325 2.819 20 0 GFADRO CS[C@@H]1CN(C(=O)c2sc([C@H]3CCOC3)nc2C)C[C@@H]1[NH+]1CCCC1 ZINC000601436915 565784384 /nfs/dbraw/zinc/78/43/84/565784384.db2.gz MGLQSWHDYYWVIE-SOUVJXGZSA-N 1 0 381.567 2.607 20 0 GFADRO O=c1cc(C[N@H+]2CCC[C@@H]2[C@H]2CCC[C@@H]2O)nc2ccc(Br)cn12 ZINC000649927488 565786821 /nfs/dbraw/zinc/78/68/21/565786821.db2.gz HWAWXZXPXPFWIK-OAGGEKHMSA-N 1 0 392.297 2.582 20 0 GFADRO COCc1cc(C[NH2+][C@@]2(CO)CCc3cc(Br)ccc3C2)no1 ZINC000628423954 565788018 /nfs/dbraw/zinc/78/80/18/565788018.db2.gz RIWOEEBUMSEVCV-KRWDZBQOSA-N 1 0 381.270 2.593 20 0 GFADRO C[C@H](C[NH+]1CCC(n2cc(C(N)=O)nn2)CC1)c1cccc(Br)c1 ZINC000628426044 565788869 /nfs/dbraw/zinc/78/88/69/565788869.db2.gz GYEULOQXQWJBQN-GFCCVEGCSA-N 1 0 392.301 2.580 20 0 GFADRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)CNC(=O)c1ccc(Cl)c(Cl)c1 ZINC000671871027 565790768 /nfs/dbraw/zinc/79/07/68/565790768.db2.gz JWUWDTDOLAZTRJ-GXTWGEPZSA-N 1 0 384.307 2.808 20 0 GFADRO CNS(=O)(=O)C[C@@H]1CCC[N@H+](Cc2cc(C)c(OC(F)F)c(C)c2)C1 ZINC000628495701 565791842 /nfs/dbraw/zinc/79/18/42/565791842.db2.gz XVLLTSVCFAHGSP-CQSZACIVSA-N 1 0 376.469 2.666 20 0 GFADRO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N[C@H]1CCSc2ccc(Cl)cc21 ZINC000671932411 565791890 /nfs/dbraw/zinc/79/18/90/565791890.db2.gz IIGAJNLMGHYAPC-DOMZBBRYSA-N 1 0 383.945 2.840 20 0 GFADRO C[C@H]1C[C@H]([NH3+])CN1C(=O)Nc1cc(I)ccc1Cl ZINC000601563628 565792214 /nfs/dbraw/zinc/79/22/14/565792214.db2.gz XMJBFEYXHYJPMO-CBAPKCEASA-N 1 0 379.629 2.898 20 0 GFADRO CNS(=O)(=O)C[C@H]1CCC[N@H+](Cc2c(Cl)cccc2N2CCCC2)C1 ZINC000628495985 565792967 /nfs/dbraw/zinc/79/29/67/565792967.db2.gz FUVQQUNXCJKUNM-HNNXBMFYSA-N 1 0 385.961 2.701 20 0 GFADRO C[N@@H+]1CCCC[C@@H](CNC(=O)c2cc(Br)c3c(c2)OCCO3)C1 ZINC000628754128 565806503 /nfs/dbraw/zinc/80/65/03/565806503.db2.gz GJPDTUFEYVENOE-LBPRGKRZSA-N 1 0 383.286 2.682 20 0 GFADRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+]C[C@H](CO)c2ccc(Cl)cc2)cc1 ZINC000672619180 565813484 /nfs/dbraw/zinc/81/34/84/565813484.db2.gz JUFQNQBCRYDHIR-XJKSGUPXSA-N 1 0 382.913 2.675 20 0 GFADRO O=C(NC[C@H]1CC[N@@H+]1C1CCCC1)c1cc2c(cc1Br)OCO2 ZINC000628964498 565817418 /nfs/dbraw/zinc/81/74/18/565817418.db2.gz IZKSPZYTTKAOBI-GFCCVEGCSA-N 1 0 381.270 2.925 20 0 GFADRO C[NH+]1CCC(CNC(=O)c2ccc3[nH]cc(I)c3c2)CC1 ZINC000602089058 565822500 /nfs/dbraw/zinc/82/25/00/565822500.db2.gz KQYABWXTMHLSPI-UHFFFAOYSA-N 1 0 397.260 2.844 20 0 GFADRO O=C(NCC[N@H+]1CC[C@@H](O)C1)c1csc(-c2ccc(Cl)c(Cl)c2)n1 ZINC000629174269 565826777 /nfs/dbraw/zinc/82/67/77/565826777.db2.gz CSLSWYDOEDERDW-LLVKDONJSA-N 1 0 386.304 2.913 20 0 GFADRO Cc1nc(CSc2ccccc2C(=O)NCC[N@@H+]2CC[C@@H](O)C2)cs1 ZINC000629177634 565828200 /nfs/dbraw/zinc/82/82/00/565828200.db2.gz KMVSUQZFJLKXPF-OAHLLOKOSA-N 1 0 377.535 2.540 20 0 GFADRO O=C(Cc1ccc(Br)c(Cl)c1)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000650602341 565828908 /nfs/dbraw/zinc/82/89/08/565828908.db2.gz SZQCCTMWSJWLOH-ZDUSSCGKSA-N 1 0 389.721 2.608 20 0 GFADRO CC(C)CS(=O)(=O)CC(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000650681352 565830450 /nfs/dbraw/zinc/83/04/50/565830450.db2.gz RQLRCCSNEZZFOI-UHFFFAOYSA-N 1 0 384.567 2.884 20 0 GFADRO C[NH+](C)C[C@H](CO)NC(=O)c1ccccc1Oc1cccc(Br)c1 ZINC000673519758 565839053 /nfs/dbraw/zinc/83/90/53/565839053.db2.gz FPTSNNBTVIFKOF-CQSZACIVSA-N 1 0 393.281 2.894 20 0 GFADRO COCC[N@@H+]1CC[C@H](NC(=O)NC2(c3ccccc3Br)CCC2)C1 ZINC000650896264 565839375 /nfs/dbraw/zinc/83/93/75/565839375.db2.gz VCVMVUGGNKCOSH-AWEZNQCLSA-N 1 0 396.329 2.848 20 0 GFADRO Cc1cc(C(=O)NC[C@H]2CCC[NH2+]2)c(I)cc1Cl ZINC000602427148 565847879 /nfs/dbraw/zinc/84/78/79/565847879.db2.gz BZPSPMAMEBVPDL-SECBINFHSA-N 1 0 378.641 2.735 20 0 GFADRO C[S@@](=O)C1(C(=O)NCC(C)(C)c2c(Cl)cccc2Cl)CC[NH2+]CC1 ZINC000602452101 565848666 /nfs/dbraw/zinc/84/86/66/565848666.db2.gz GBALSNPRGSUQLL-XMMPIXPASA-N 1 0 391.364 2.888 20 0 GFADRO C[S@](=O)C1(C(=O)Nc2ccc(Cl)c(Br)c2)CC[NH2+]CC1 ZINC000602456199 565848849 /nfs/dbraw/zinc/84/88/49/565848849.db2.gz VXKHYFUKRAWOGI-FQEVSTJZSA-N 1 0 379.707 2.542 20 0 GFADRO CCC1([NH+]2CCOCC2)CCN(C(=O)c2cc(Br)cn2C)CC1 ZINC000629420471 565850640 /nfs/dbraw/zinc/85/06/40/565850640.db2.gz XDDYUXOYDNYSFJ-UHFFFAOYSA-N 1 0 384.318 2.505 20 0 GFADRO CCC1([NH+]2CCOCC2)CCN(C(=O)c2ncc(Br)s2)CC1 ZINC000629415119 565851061 /nfs/dbraw/zinc/85/10/61/565851061.db2.gz MEUDHRROOWNXSC-UHFFFAOYSA-N 1 0 388.331 2.623 20 0 GFADRO CN(C)S(=O)(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccc(C(F)(F)F)s1 ZINC000673874538 565851474 /nfs/dbraw/zinc/85/14/74/565851474.db2.gz DVIXREUBNDERQM-LLVKDONJSA-N 1 0 385.477 2.517 20 0 GFADRO CN(C)c1nc(CNC(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)cs1 ZINC000673874185 565851761 /nfs/dbraw/zinc/85/17/61/565851761.db2.gz LVEOQAQSFAAZOV-AWEZNQCLSA-N 1 0 379.555 2.907 20 0 GFADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCOc2ccc(Br)cc21 ZINC000651261440 565852175 /nfs/dbraw/zinc/85/21/75/565852175.db2.gz HKHHUNMBTATGTF-GJZGRUSLSA-N 1 0 397.313 2.542 20 0 GFADRO COC(=O)c1cc(C[NH2+]C[C@@H]2CCN(c3cccc(Br)c3)C2)on1 ZINC000602521485 565852323 /nfs/dbraw/zinc/85/23/23/565852323.db2.gz OYDMBCUZHURSKB-LBPRGKRZSA-N 1 0 394.269 2.840 20 0 GFADRO COC(=O)CC[C@H]([NH3+])C(=O)N(Cc1ccccc1Br)CC(C)C ZINC000602525037 565852362 /nfs/dbraw/zinc/85/23/62/565852362.db2.gz PYGUELOWEHINRN-HNNXBMFYSA-N 1 0 385.302 2.714 20 0 GFADRO Cc1csc(C(=O)N[C@H]2CC[NH2+]C23CCC3)c1I ZINC000602534314 565853574 /nfs/dbraw/zinc/85/35/74/565853574.db2.gz SEMYBCNEZXGRIA-VIFPVBQESA-N 1 0 376.263 2.676 20 0 GFADRO Brc1cc2ncnc(N3CC[NH+](C[C@H]4CCOC4)CC3)c2s1 ZINC000651324516 565856205 /nfs/dbraw/zinc/85/62/05/565856205.db2.gz HKHOIPYBUDLXSF-LLVKDONJSA-N 1 0 383.315 2.612 20 0 GFADRO C[C@H]1C[C@H]([NH3+])CN1C(=O)c1cc(I)cc(C(F)(F)F)c1 ZINC000602597958 565856630 /nfs/dbraw/zinc/85/66/30/565856630.db2.gz WXTQUMJGJBFTCR-CPCISQLKSA-N 1 0 398.166 2.872 20 0 GFADRO OCC[C@@H]([NH2+]Cc1ccc(I)s1)C1CCOCC1 ZINC000602616062 565858303 /nfs/dbraw/zinc/85/83/03/565858303.db2.gz HCMHFHJXXYEJCR-GFCCVEGCSA-N 1 0 381.279 2.620 20 0 GFADRO [NH3+]C[C@H]1CN(CC(=O)Nc2ccccc2Br)CC[C@H]1C(F)(F)F ZINC000629569273 565859100 /nfs/dbraw/zinc/85/91/00/565859100.db2.gz WRILHRGKIFZXDV-WDEREUQCSA-N 1 0 394.235 2.847 20 0 GFADRO Cc1ccc(S(=O)(=O)CCCN2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1 ZINC000629561920 565859513 /nfs/dbraw/zinc/85/95/13/565859513.db2.gz KLYMXOJNJBCENQ-ZBFHGGJFSA-N 1 0 378.460 2.618 20 0 GFADRO C[C@H](NC(=O)CN1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1)c1ccccc1Cl ZINC000629566603 565859617 /nfs/dbraw/zinc/85/96/17/565859617.db2.gz MYXPQTAGRSIIFS-SCRDCRAPSA-N 1 0 377.838 2.976 20 0 GFADRO CC[N@@H+]1CC[C@H]2OCCN(c3ncnc4cc(Br)sc43)[C@H]2C1 ZINC000651353822 565860171 /nfs/dbraw/zinc/86/01/71/565860171.db2.gz XYQXPJFSVDONGJ-NWDGAFQWSA-N 1 0 383.315 2.753 20 0 GFADRO O=C(c1nscc1Br)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000651421546 565862512 /nfs/dbraw/zinc/86/25/12/565862512.db2.gz GHWWVPFFWFSIMV-UHFFFAOYSA-N 1 0 388.331 2.623 20 0 GFADRO O[C@@H]1CC[N@@H+](C2CN(c3ccc4c(Cl)ccc(Br)c4n3)C2)C1 ZINC000651449859 565863118 /nfs/dbraw/zinc/86/31/18/565863118.db2.gz SYTJXAPZGCEBEY-LLVKDONJSA-N 1 0 382.689 2.906 20 0 GFADRO C[NH+](C)CCNC(=O)c1ccc(NC(=O)c2occc2Br)cc1 ZINC000674338721 565869713 /nfs/dbraw/zinc/86/97/13/565869713.db2.gz VZJMFASPNRJMJH-UHFFFAOYSA-N 1 0 380.242 2.586 20 0 GFADRO CC[C@H](C[NH+]1CCCC1)NS(=O)(=O)c1ccc(Br)c(C)c1 ZINC000674345378 565869810 /nfs/dbraw/zinc/86/98/10/565869810.db2.gz RFKSDCCEMZOUJC-CYBMUJFWSA-N 1 0 375.332 2.910 20 0 GFADRO CC(C)Oc1cc(C(=O)NC[C@H](O)C[NH+]2CCCCC2)ccc1Br ZINC000651541353 565870147 /nfs/dbraw/zinc/87/01/47/565870147.db2.gz PCTQRCWTANFHCC-HNNXBMFYSA-N 1 0 399.329 2.813 20 0 GFADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)Nc1cc(Br)c(F)cc1Cl ZINC000674388092 565871843 /nfs/dbraw/zinc/87/18/43/565871843.db2.gz IQEMKNCKBWIPKX-VIFPVBQESA-N 1 0 393.688 2.609 20 0 GFADRO Cc1cc(Br)sc1S(=O)(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000651576811 565875259 /nfs/dbraw/zinc/87/52/59/565875259.db2.gz SPFMTVHNVHZLSN-WDEREUQCSA-N 1 0 381.361 2.780 20 0 GFADRO O=C(NCC[N@H+]1CC[C@H](O)C1)[C@H]1CCCO[C@H]1c1ccc(Cl)cc1Cl ZINC000629915422 565875702 /nfs/dbraw/zinc/87/57/02/565875702.db2.gz IEKNYXIGBHRCIX-QRTARXTBSA-N 1 0 387.307 2.644 20 0 GFADRO C[N@H+](CC(=O)NC[C@@H]1CCN(c2cccc(Br)c2)C1)C1CCC1 ZINC000629952026 565878075 /nfs/dbraw/zinc/87/80/75/565878075.db2.gz HUXNNEFUGKICEZ-AWEZNQCLSA-N 1 0 380.330 2.876 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)NCC1([NH2+]C)CCC1 ZINC000630001135 565879637 /nfs/dbraw/zinc/87/96/37/565879637.db2.gz XBRVATIDAUUBOH-AWEZNQCLSA-N 1 0 384.567 2.609 20 0 GFADRO C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N(C)[C@H]1C[NH+]2CCC1CC2 ZINC000603272867 565893648 /nfs/dbraw/zinc/89/36/48/565893648.db2.gz HOOYXVAZXMVJCZ-NHYWBVRUSA-N 1 0 384.307 2.664 20 0 GFADRO CCOC(=O)c1nc(N2C[C@@H](SC)[C@@H]([NH+](C)C)C2)ccc1Br ZINC000603330272 565897570 /nfs/dbraw/zinc/89/75/70/565897570.db2.gz OQDZKWBAUKKTNA-NWDGAFQWSA-N 1 0 388.331 2.503 20 0 GFADRO CCC1([NH+](C)C)CCN(C(=O)c2ncc(I)s2)CC1 ZINC000603430248 565904919 /nfs/dbraw/zinc/90/49/19/565904919.db2.gz YEXNLHLDABQTPA-UHFFFAOYSA-N 1 0 393.294 2.694 20 0 GFADRO Cc1cc(Br)cc(C[NH2+]CC[C@]2(O)CCOC2)c1OC(F)F ZINC000651944410 565906012 /nfs/dbraw/zinc/90/60/12/565906012.db2.gz VFNCRUZVMYYKRD-HNNXBMFYSA-N 1 0 380.229 2.990 20 0 GFADRO CN(C(=O)CCn1cc(Br)cn1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000675577986 565908998 /nfs/dbraw/zinc/90/89/98/565908998.db2.gz LJZCSUXENBJMOP-QGZVFWFLSA-N 1 0 391.313 2.769 20 0 GFADRO CCOc1c(Br)cc(C[NH2+]C[C@@H]2CC(=O)N(CC)C2)cc1OC ZINC000652003613 565909270 /nfs/dbraw/zinc/90/92/70/565909270.db2.gz YFPLMCDGUGOZID-ZDUSSCGKSA-N 1 0 385.302 2.814 20 0 GFADRO CCOc1cc(C[NH2+]C[C@@H]2CC(=O)N(C3CC3)C2)cc(Br)c1OC ZINC000651993653 565909606 /nfs/dbraw/zinc/90/96/06/565909606.db2.gz ZSVUEWFRDGOMGY-ZDUSSCGKSA-N 1 0 397.313 2.957 20 0 GFADRO CCN1C[C@H](C[NH2+]Cc2nc(-c3cccc(Br)c3)c[nH]2)CC1=O ZINC000652001073 565909731 /nfs/dbraw/zinc/90/97/31/565909731.db2.gz LYTXLVBALSSJAA-LBPRGKRZSA-N 1 0 377.286 2.797 20 0 GFADRO O=C(N[C@@H]1C[NH2+]C[C@H]1c1ccccc1)c1nc(C2CC2)ncc1Br ZINC000630577837 565910854 /nfs/dbraw/zinc/91/08/54/565910854.db2.gz AQHSZZPKAFHUMW-DZGCQCFKSA-N 1 0 387.281 2.602 20 0 GFADRO C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CC[C@@]1(O)CCCOC1 ZINC000652046151 565912707 /nfs/dbraw/zinc/91/27/07/565912707.db2.gz NRQDFVOKBGOWQP-GUYCJALGSA-N 1 0 385.302 2.687 20 0 GFADRO O[C@]1(CC[NH2+]Cc2cnn(-c3ccc(Br)cc3)c2)CCCOC1 ZINC000652039333 565913061 /nfs/dbraw/zinc/91/30/61/565913061.db2.gz CHWMFMRWYTUAAZ-KRWDZBQOSA-N 1 0 380.286 2.656 20 0 GFADRO O[C@@]1(CC[NH2+]Cc2cc(Br)c3c(c2)OCCCO3)CCCOC1 ZINC000652039599 565913358 /nfs/dbraw/zinc/91/33/58/565913358.db2.gz KCKXQKRGAGSROH-QGZVFWFLSA-N 1 0 386.286 2.632 20 0 GFADRO O[C@H](C[NH2+]Cc1[nH]nc2ccccc21)COc1ccccc1Br ZINC000675763534 565914947 /nfs/dbraw/zinc/91/49/47/565914947.db2.gz QCCSYSZIHWQWKB-GFCCVEGCSA-N 1 0 376.254 2.855 20 0 GFADRO CCN(Cc1ccccc1Br)C(=O)c1cnn(CC[NH+](C)C)c1 ZINC000630698735 565915738 /nfs/dbraw/zinc/91/57/38/565915738.db2.gz XTABWNHFANLZBH-UHFFFAOYSA-N 1 0 379.302 2.870 20 0 GFADRO C[C@H](Cc1ccc(Br)cc1)NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC000630750800 565918002 /nfs/dbraw/zinc/91/80/02/565918002.db2.gz SWOWYKCQYDIROV-CYBMUJFWSA-N 1 0 379.302 2.568 20 0 GFADRO O=C(NCCC1CC[NH2+]CC1)N[C@H]1CCOc2c(Br)cccc21 ZINC000652188899 565918376 /nfs/dbraw/zinc/91/83/76/565918376.db2.gz XCXDOXNMYSFACR-HNNXBMFYSA-N 1 0 382.302 2.962 20 0 GFADRO Cc1cc(Br)sc1S(=O)(=O)N1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000652372392 565924939 /nfs/dbraw/zinc/92/49/39/565924939.db2.gz IZVDKCIJVCQUNI-NSHDSACASA-N 1 0 393.372 2.972 20 0 GFADRO C[NH2+]Cc1ccccc1CNS(=O)(=O)c1cccc(C)c1Br ZINC000652381720 565926544 /nfs/dbraw/zinc/92/65/44/565926544.db2.gz JNSJGGVHYHFEAQ-UHFFFAOYSA-N 1 0 383.311 2.955 20 0 GFADRO CC(C)[N@@H+]1CC[C@H](CNC(=O)NCc2nc3c(cccc3Br)[nH]2)C1 ZINC000652413618 565928769 /nfs/dbraw/zinc/92/87/69/565928769.db2.gz JCNUAGXOLZBKNF-GFCCVEGCSA-N 1 0 394.317 2.855 20 0 GFADRO CC(C)c1cc(Br)ccc1NC(=O)C(=O)NCCC1(C[NH3+])CC1 ZINC000652634539 565935738 /nfs/dbraw/zinc/93/57/38/565935738.db2.gz HSTRRRISRRVYEW-UHFFFAOYSA-N 1 0 382.302 2.756 20 0 GFADRO C[C@@H](Cc1cccc(Br)c1)[NH2+]Cc1cn(C[C@H]2CCOC2)nn1 ZINC000631051906 565936407 /nfs/dbraw/zinc/93/64/07/565936407.db2.gz KCTNIGKNTUETSC-DZGCQCFKSA-N 1 0 379.302 2.798 20 0 GFADRO O=C(CC(F)(F)F)N1CCC([NH2+]Cc2ccncc2Br)CC1 ZINC000631063117 565936817 /nfs/dbraw/zinc/93/68/17/565936817.db2.gz BNYCTNRSLIRLFZ-UHFFFAOYSA-N 1 0 380.208 2.877 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)NCCC2CC[NH2+]CC2)c(Br)c1 ZINC000652643442 565936951 /nfs/dbraw/zinc/93/69/51/565936951.db2.gz KYQFNYRVHKJVKF-UHFFFAOYSA-N 1 0 382.302 2.510 20 0 GFADRO C[C@H](Cc1ccccc1Br)[NH2+]Cc1cn(C[C@@H]2CCOC2)nn1 ZINC000631088856 565940029 /nfs/dbraw/zinc/94/00/29/565940029.db2.gz CBTUTXFKQFXRLA-KGLIPLIRSA-N 1 0 379.302 2.798 20 0 GFADRO O=S1(=O)CC[C@]2(C1)C[C@@H]([NH2+]Cc1ccc(CC(F)(F)F)cc1)CCO2 ZINC000631108815 565940957 /nfs/dbraw/zinc/94/09/57/565940957.db2.gz TVPZNLFURGQTPT-JKSUJKDBSA-N 1 0 377.428 2.617 20 0 GFADRO O=S1(=O)CC[C@]2(C1)C[C@@H]([NH2+]Cc1ccccc1CC(F)(F)F)CCO2 ZINC000631108787 565941776 /nfs/dbraw/zinc/94/17/76/565941776.db2.gz SJLWQNMLINGNEQ-JKSUJKDBSA-N 1 0 377.428 2.617 20 0 GFADRO NS(=O)(=O)c1cc(C[NH2+][C@@H](CCO)c2ccc(Cl)cc2)ccc1Cl ZINC000631137183 565944167 /nfs/dbraw/zinc/94/41/67/565944167.db2.gz WOPOPFARWDTDKZ-HNNXBMFYSA-N 1 0 389.304 2.854 20 0 GFADRO COCC[N@@H+]1CCC[C@H](NC(=O)c2cc(F)c(F)cc2Br)C1 ZINC000676730449 565946475 /nfs/dbraw/zinc/94/64/75/565946475.db2.gz OLDZVDBTCXIFHS-JTQLQIEISA-N 1 0 377.229 2.568 20 0 GFADRO OC[C@H]1C[C@@H]([NH2+]Cc2cc(Cl)cc(Cl)c2OCCN2CCOCC2)C1 ZINC000631199963 565948250 /nfs/dbraw/zinc/94/82/50/565948250.db2.gz SEGKFYOUAKCYHH-AKAXFMLLSA-N 1 0 389.323 2.565 20 0 GFADRO CC(C)Oc1cc(C(=O)NCCNc2cc[nH+]cc2)ccc1Br ZINC000653017004 565950712 /nfs/dbraw/zinc/95/07/12/565950712.db2.gz DWEOQQRPOBODLD-UHFFFAOYSA-N 1 0 378.270 2.895 20 0 GFADRO Cc1nn2c(C[NH2+]C[C@@H](C)c3ccc(S(C)(=O)=O)cc3)c(C)nc2s1 ZINC000631268745 565950984 /nfs/dbraw/zinc/95/09/84/565950984.db2.gz ULOZCXHKDBEDHU-LLVKDONJSA-N 1 0 378.523 2.704 20 0 GFADRO CCCOc1c(Br)cc(C[NH2+][C@@H]2COCC[C@H]2O)cc1OCC ZINC000631258335 565951225 /nfs/dbraw/zinc/95/12/25/565951225.db2.gz RPQDATNLYJNODS-HUUCEWRRSA-N 1 0 388.302 2.876 20 0 GFADRO CC[C@@H](C(=O)N1CCN(c2ccc(Br)cn2)CC1)[NH+](CC)CC ZINC000605427209 565951331 /nfs/dbraw/zinc/95/13/31/565951331.db2.gz CXOPGQDMFJJSSE-HNNXBMFYSA-N 1 0 383.334 2.613 20 0 GFADRO COc1ccc(-c2csc(NC(=O)[C@]34C[NH2+]C[C@H]3COC4)n2)cc1Cl ZINC000653061339 565952976 /nfs/dbraw/zinc/95/29/76/565952976.db2.gz MHHBIAWVGFFKNO-GTNSWQLSSA-N 1 0 379.869 2.647 20 0 GFADRO O=C(Nc1ccc(Br)c(C(F)(F)F)c1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653057708 565953013 /nfs/dbraw/zinc/95/30/13/565953013.db2.gz NBOFGOXSTYNPLH-SDBXPKJASA-N 1 0 379.176 2.642 20 0 GFADRO C[NH+](C)C1(CNC(=O)[C@@H]2[C@@H]3Cc4cc(Br)ccc4[C@@H]32)CCOCC1 ZINC000631308504 565953057 /nfs/dbraw/zinc/95/30/57/565953057.db2.gz RWYYXCSNPKWXHD-IXDOHACOSA-N 1 0 393.325 2.562 20 0 GFADRO C[NH+](C)CC[C@@H](N)C(=O)N[C@@H](c1ccccc1)c1ccc(Br)cc1 ZINC000653079162 565954413 /nfs/dbraw/zinc/95/44/13/565954413.db2.gz VELALAPEOSWKLM-MSOLQXFVSA-N 1 0 390.325 2.934 20 0 GFADRO C[NH+](C)C[C@@]1(O)CCCN(c2ccc(Br)c(C(F)(F)F)n2)C1 ZINC000631344443 565954878 /nfs/dbraw/zinc/95/48/78/565954878.db2.gz PYQLLMYUQYRVIF-ZDUSSCGKSA-N 1 0 382.224 2.756 20 0 GFADRO C[C@]1(c2cccc(Br)c2)C[C@H]1C(=O)NCCC[NH+]1CCC(O)CC1 ZINC000631372923 565955462 /nfs/dbraw/zinc/95/54/62/565955462.db2.gz RVTUHXWSQBDNJZ-PKOBYXMFSA-N 1 0 395.341 2.690 20 0 GFADRO [NH3+]CC12CCC(CC1)CN2C(=O)C[C@@H]1Sc2ccc(Cl)cc2NC1=O ZINC000653170136 565957278 /nfs/dbraw/zinc/95/72/78/565957278.db2.gz CHLFEVUNBFBERX-AAEPOTHZSA-N 1 0 379.913 2.873 20 0 GFADRO COCC[NH2+]C1CCN(C(=O)C(C)(C)c2cccc(Br)c2)CC1 ZINC000653180377 565957453 /nfs/dbraw/zinc/95/74/53/565957453.db2.gz AJQZEXWRYXBGMC-UHFFFAOYSA-N 1 0 383.330 2.954 20 0 GFADRO COc1cc2[nH+]ccc(N3CCS(=O)(=O)[C@@H](C)C3)c2cc1Br ZINC000631437563 565957577 /nfs/dbraw/zinc/95/75/77/565957577.db2.gz ZXNHPRJWTSMISD-JTQLQIEISA-N 1 0 385.283 2.629 20 0 GFADRO COCC[N@@H+]1CC[C@H](NC(=O)NCC(C)(C)c2ccc(Br)cc2)C1 ZINC000605847156 565957767 /nfs/dbraw/zinc/95/77/67/565957767.db2.gz HOULTWUQOGIYKD-INIZCTEOSA-N 1 0 398.345 2.747 20 0 GFADRO O[C@H](COc1ccc(Cl)c(Cl)c1)C[NH+]1CCC(Cn2ccnn2)CC1 ZINC000677061175 565959454 /nfs/dbraw/zinc/95/94/54/565959454.db2.gz DNKLNPFBLBRRJD-AWEZNQCLSA-N 1 0 385.295 2.737 20 0 GFADRO C[C@@H]1CCCN(C(=O)c2cc(=O)c3cc(Br)ccc3[nH]2)[C@@H]1CC[NH3+] ZINC000653238235 565959518 /nfs/dbraw/zinc/95/95/18/565959518.db2.gz NEXQUVAWYALCBT-BDJLRTHQSA-N 1 0 392.297 2.880 20 0 GFADRO C[C@H]1CCCN(C(=O)CCNC(=O)c2ccc(Br)cc2)[C@H]1CC[NH3+] ZINC000653233511 565959661 /nfs/dbraw/zinc/95/96/61/565959661.db2.gz XMAPOEZDCGNHLX-BBRMVZONSA-N 1 0 396.329 2.545 20 0 GFADRO [NH3+]C[C@]12CCC[C@H]1CN(C(=O)C[C@H]1Sc3ccc(Cl)cc3NC1=O)C2 ZINC000653196883 565959694 /nfs/dbraw/zinc/95/96/94/565959694.db2.gz DDXMXWVBVFYVDR-POHZPAGDSA-N 1 0 379.913 2.730 20 0 GFADRO CCO[C@@H]1CN(C(=O)CCCOc2cccc(Cl)c2Cl)C[C@H]1C[NH3+] ZINC000653245608 565960598 /nfs/dbraw/zinc/96/05/98/565960598.db2.gz FOBYFMGWORSBFY-IUODEOHRSA-N 1 0 375.296 2.975 20 0 GFADRO COc1ccc(Br)c(C(=O)N2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)c1 ZINC000653267636 565961182 /nfs/dbraw/zinc/96/11/82/565961182.db2.gz UAIASENHZFXMGV-JLZZUVOBSA-N 1 0 397.313 2.959 20 0 GFADRO C[NH+]1CCC(O)(CNC(=O)c2cccc3c(Br)cccc23)CC1 ZINC000631567823 565962569 /nfs/dbraw/zinc/96/25/69/565962569.db2.gz JWBQGOLZAWRMQN-UHFFFAOYSA-N 1 0 377.282 2.789 20 0 GFADRO C[NH+](C)CC[C@H](N)C(=O)Nc1nc(-c2ccccc2)c(Br)s1 ZINC000653346841 565964639 /nfs/dbraw/zinc/96/46/39/565964639.db2.gz JBDSYBOSEFBRFC-NSHDSACASA-N 1 0 383.315 2.790 20 0 GFADRO O=C(COc1ccc(Br)cn1)NC1CC[NH+](C2CCCC2)CC1 ZINC000631630308 565965085 /nfs/dbraw/zinc/96/50/85/565965085.db2.gz UHSAVFBJWRKYJL-UHFFFAOYSA-N 1 0 382.302 2.746 20 0 GFADRO COc1ccc([C@H](CNS(=O)(=O)CCC(C)(F)F)[NH+]2CCCC2)cc1 ZINC000631652163 565965164 /nfs/dbraw/zinc/96/51/64/565965164.db2.gz YSBJMAJCQAGUPD-INIZCTEOSA-N 1 0 376.469 2.797 20 0 GFADRO CC(C)[C@@H](CNC(=O)NCc1n[nH]cc1Br)[NH+]1CCC(C)CC1 ZINC000606483564 565965820 /nfs/dbraw/zinc/96/58/20/565965820.db2.gz STBBJJFWTAHSPB-OAHLLOKOSA-N 1 0 386.338 2.728 20 0 GFADRO Brc1cccc2c1C[C@@H]1[C@H]([NH2+]C3CCN([C@H]4CCOC4)CC3)[C@H]21 ZINC000631663978 565966329 /nfs/dbraw/zinc/96/63/29/565966329.db2.gz ITBKDPKYRBVPIW-IVJVFBROSA-N 1 0 377.326 2.930 20 0 GFADRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCc2n[nH]cc2Br)C1 ZINC000606504021 565967305 /nfs/dbraw/zinc/96/73/05/565967305.db2.gz UDBHKOKFIXTKCN-GFCCVEGCSA-N 1 0 386.338 2.872 20 0 GFADRO C[NH+]1CCC(N(Cc2ccco2)S(=O)(=O)C[C@@H]2CCC(F)(F)C2)CC1 ZINC000631706615 565968326 /nfs/dbraw/zinc/96/83/26/565968326.db2.gz JILQEIXGYZFUMX-CQSZACIVSA-N 1 0 376.469 2.941 20 0 GFADRO C[C@H]([NH2+]CC[C@@H](O)C(F)F)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000631697776 565968564 /nfs/dbraw/zinc/96/85/64/565968564.db2.gz PRWLZAVSIWUIOE-XJKSGUPXSA-N 1 0 376.469 2.528 20 0 GFADRO OC1(C(F)(F)F)CCC([NH2+]Cc2ccnc(N3CCSCC3)c2)CC1 ZINC000631722893 565970089 /nfs/dbraw/zinc/97/00/89/565970089.db2.gz KGPCSVDMRNFNTC-UHFFFAOYSA-N 1 0 375.460 2.960 20 0 GFADRO O=C(Nc1cc(C(F)(F)F)ccc1Cl)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000607059251 565976339 /nfs/dbraw/zinc/97/63/39/565976339.db2.gz FWJWRNBJFZBNCL-JTQLQIEISA-N 1 0 375.778 2.650 20 0 GFADRO O=C(CN1CCC([NH2+]CCO)CC1)Nc1cc(Cl)c(Cl)cc1Cl ZINC000631865269 565978968 /nfs/dbraw/zinc/97/89/68/565978968.db2.gz FUCYYRHTAQAHSY-UHFFFAOYSA-N 1 0 380.703 2.632 20 0 GFADRO O[C@@H](COc1ccc(Cl)c(Cl)c1)C[N@@H+]1CCC[C@H](N2CCOCC2)C1 ZINC000653718003 565979825 /nfs/dbraw/zinc/97/98/25/565979825.db2.gz XJXIFHGMHKVBEI-LSDHHAIUSA-N 1 0 389.323 2.530 20 0 GFADRO Cc1ccc(NC(=O)CN2CCC(CO)([NH2+]C(C)C)CC2)c(Br)c1 ZINC000653728111 565980896 /nfs/dbraw/zinc/98/08/96/565980896.db2.gz GDGQQBKHPHNAQZ-UHFFFAOYSA-N 1 0 398.345 2.521 20 0 GFADRO O=S(=O)(c1ccc(C(F)(F)C(F)(F)F)cc1)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000631932465 565984632 /nfs/dbraw/zinc/98/46/32/565984632.db2.gz VITHLWOWQGPNGF-ZWNOBZJWSA-N 1 0 384.370 2.713 20 0 GFADRO COCc1cc(Cl)cc(S(=O)(=O)NCc2cccc3c2CC[NH2+]C3)c1 ZINC000631962640 565986824 /nfs/dbraw/zinc/98/68/24/565986824.db2.gz MIUHDSIWAQJNHK-UHFFFAOYSA-N 1 0 380.897 2.611 20 0 GFADRO COc1ccc(Br)cc1S(=O)(=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000631978773 565987730 /nfs/dbraw/zinc/98/77/30/565987730.db2.gz IHCOVYHFLBIAPH-LBPRGKRZSA-N 1 0 391.331 2.514 20 0 GFADRO Cc1cc(Br)c(S(=O)(=O)N2CCC[C@@H]3C[NH2+]CC[C@@H]32)s1 ZINC000631994658 565990032 /nfs/dbraw/zinc/99/00/32/565990032.db2.gz PGGFRSMPZZJJBJ-PWSUYJOCSA-N 1 0 379.345 2.582 20 0 GFADRO CCOc1c(Br)cc(C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)cc1OC ZINC000654071275 565995162 /nfs/dbraw/zinc/99/51/62/565995162.db2.gz RVJFRCHDGRKKRC-BJHJDKERSA-N 1 0 385.302 2.926 20 0 GFADRO Cc1ccc(S(=O)(=O)N2CCN(c3cc[nH+]cc3)CC2)cc1Br ZINC000608018812 565997303 /nfs/dbraw/zinc/99/73/03/565997303.db2.gz UGLJUNXJTQEOCF-UHFFFAOYSA-N 1 0 396.310 2.663 20 0 GFADRO C[NH+](C)CCN(C1CCCC1)S(=O)(=O)Cc1ncsc1Br ZINC000632097720 565998265 /nfs/dbraw/zinc/99/82/65/565998265.db2.gz WMNLOWSPCGZBMB-UHFFFAOYSA-N 1 0 396.376 2.542 20 0 GFADRO Cc1cc(C(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)c(C)cc1Br ZINC000678142929 566001409 /nfs/dbraw/zinc/00/14/09/566001409.db2.gz FBVJKHGSPMRXTK-IRXDYDNUSA-N 1 0 381.314 2.737 20 0 GFADRO CCn1cnnc1CC[NH2+][C@@H](C)CC(=O)Nc1cccc(Br)c1 ZINC000678588883 566013571 /nfs/dbraw/zinc/01/35/71/566013571.db2.gz QRBIJXCROKOIPP-LBPRGKRZSA-N 1 0 380.290 2.610 20 0 GFADRO C[C@H](Cc1cc(Br)ccc1F)[NH2+]C1CCN(S(C)(=O)=O)CC1 ZINC000678607510 566014267 /nfs/dbraw/zinc/01/42/67/566014267.db2.gz MDMGMKXMBMSIPI-LLVKDONJSA-N 1 0 393.322 2.533 20 0 GFADRO CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000678632255 566014388 /nfs/dbraw/zinc/01/43/88/566014388.db2.gz LJRBQAMERJSIIG-MAZHCROVSA-N 1 0 384.318 2.919 20 0 GFADRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)N[C@H](c2cncc(Br)c2)C2CC2)C1 ZINC000654559450 566014683 /nfs/dbraw/zinc/01/46/83/566014683.db2.gz ZGXUBPXJWZPPSD-XZJROXQQSA-N 1 0 381.318 2.935 20 0 GFADRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)NCCC(=O)Nc2cc(Cl)cc(Cl)c2)C1 ZINC000654574821 566016148 /nfs/dbraw/zinc/01/61/48/566016148.db2.gz AZRAQJCBISMYCK-WGRBQBNCSA-N 1 0 387.311 2.961 20 0 GFADRO C[N@@H+]1CCC[C@@H](NC(=O)NCCOc2ncc(C(F)(F)F)cc2Cl)C1 ZINC000608648149 566019659 /nfs/dbraw/zinc/01/96/59/566019659.db2.gz OETCGUJJWRNGGY-LLVKDONJSA-N 1 0 380.798 2.526 20 0 GFADRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1S(=O)(=O)c1cscc1Br ZINC000632337337 566022981 /nfs/dbraw/zinc/02/29/81/566022981.db2.gz XXAZKCWEMDBPRE-ZYHUDNBSSA-N 1 0 379.345 2.758 20 0 GFADRO COCCC[N@H+](C)CCNC(=O)c1ccc(Br)cc1SC ZINC000654830565 566025219 /nfs/dbraw/zinc/02/52/19/566025219.db2.gz OEUQATMWEQRYSK-UHFFFAOYSA-N 1 0 375.332 2.869 20 0 GFADRO CC(C)[C@H]([NH2+]Cc1cc(Br)c2c(c1)OCCO2)C(=O)N1CCCC1 ZINC000678931546 566025967 /nfs/dbraw/zinc/02/59/67/566025967.db2.gz FVODGKMKZIYPTD-INIZCTEOSA-N 1 0 397.313 2.957 20 0 GFADRO CC[C@H](C)[N@H+](C)CCNC(=O)c1ccc(I)c(F)c1 ZINC000609171439 566032761 /nfs/dbraw/zinc/03/27/61/566032761.db2.gz YXLPSYHOSDCBIQ-JTQLQIEISA-N 1 0 378.229 2.890 20 0 GFADRO CC(C)(CO)[NH+]1CCN(C(=O)CCOc2ccc(Cl)c(Cl)c2)CC1 ZINC000679314798 566036261 /nfs/dbraw/zinc/03/62/61/566036261.db2.gz RGCUMQKAGONEDU-UHFFFAOYSA-N 1 0 375.296 2.677 20 0 GFADRO O=C(NCCOc1cccc(Cl)c1Cl)NC[C@@H]1CCCC[N@H+]1CCO ZINC000655147255 566042996 /nfs/dbraw/zinc/04/29/96/566042996.db2.gz CEFQHWYSIYPMLJ-ZDUSSCGKSA-N 1 0 390.311 2.518 20 0 GFADRO Nc1c(Br)cc(Br)cc1C[NH2+]CCCn1cncn1 ZINC000681114550 566094190 /nfs/dbraw/zinc/09/41/90/566094190.db2.gz ZGWTWTMXPNJPCF-UHFFFAOYSA-N 1 0 389.095 2.565 20 0 GFADRO COC(=O)CN(CCc1ccc(Cl)cc1Cl)C(=O)C[N@H+](C)C(C)C ZINC000609890272 566056890 /nfs/dbraw/zinc/05/68/90/566056890.db2.gz TZNCQZYWKXNQHY-UHFFFAOYSA-N 1 0 375.296 2.878 20 0 GFADRO COCC1(CNC(=O)c2ccc(Br)cc2SC)CC[NH2+]CC1 ZINC000655460848 566057189 /nfs/dbraw/zinc/05/71/89/566057189.db2.gz YFETYIXZMBABKO-UHFFFAOYSA-N 1 0 387.343 2.917 20 0 GFADRO C[NH+](C)CCn1cc(NC(=O)CCc2cc(F)ccc2Br)cn1 ZINC000680031861 566059760 /nfs/dbraw/zinc/05/97/60/566059760.db2.gz IOHQXKUSEHTIHY-UHFFFAOYSA-N 1 0 383.265 2.918 20 0 GFADRO O=C(NCCCc1c(Cl)cccc1Cl)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000655490554 566060129 /nfs/dbraw/zinc/06/01/29/566060129.db2.gz NJTASBUAJXJHSE-LBPRGKRZSA-N 1 0 382.295 2.700 20 0 GFADRO Cc1csc(-c2ccc(S(=O)(=O)N3CC[C@H]([NH+]4CCCC4)C3)cc2)n1 ZINC000655499358 566060214 /nfs/dbraw/zinc/06/02/14/566060214.db2.gz KDOWEUNGPANKFD-INIZCTEOSA-N 1 0 377.535 2.977 20 0 GFADRO Cc1c(Br)cccc1CS(=O)(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000655499816 566060915 /nfs/dbraw/zinc/06/09/15/566060915.db2.gz QMPKKEDSTDAWDY-OAHLLOKOSA-N 1 0 387.343 2.757 20 0 GFADRO CC[N@@H+]1CCCN(S(=O)(=O)Cc2cccc(Br)c2C)CC1 ZINC000655501722 566060944 /nfs/dbraw/zinc/06/09/44/566060944.db2.gz MOTLJIWBBTZTQX-UHFFFAOYSA-N 1 0 375.332 2.615 20 0 GFADRO Cc1c(Br)cccc1CS(=O)(=O)N(C)CC1CC[NH+](C)CC1 ZINC000655501166 566061679 /nfs/dbraw/zinc/06/16/79/566061679.db2.gz RFZBSASUIPLYCY-UHFFFAOYSA-N 1 0 389.359 2.861 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000655514154 566062954 /nfs/dbraw/zinc/06/29/54/566062954.db2.gz AGYJFSJDTBDZOW-LBPRGKRZSA-N 1 0 391.191 2.563 20 0 GFADRO CN(CCCC[NH+](C)C)C(=O)c1ccc(F)cc1I ZINC000610111745 566066909 /nfs/dbraw/zinc/06/69/09/566066909.db2.gz BHGHJZSSPSHAKV-UHFFFAOYSA-N 1 0 378.229 2.844 20 0 GFADRO Cn1nc(-c2ccc(Cl)s2)cc1NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC000632786070 566067228 /nfs/dbraw/zinc/06/72/28/566067228.db2.gz IIUCCXHANYZOQT-UHFFFAOYSA-N 1 0 378.889 2.812 20 0 GFADRO C[C@H](Oc1ccc(F)cc1Br)C(=O)N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000632860380 566071161 /nfs/dbraw/zinc/07/11/61/566071161.db2.gz GHDCFTWMPJFREX-ZOWXZIJZSA-N 1 0 385.277 2.956 20 0 GFADRO COc1cc(C[NH2+]CC[C@H](O)C(C)C)cc(I)c1OC ZINC000610271256 566075241 /nfs/dbraw/zinc/07/52/41/566075241.db2.gz XMRKSIUXXWNYND-ZDUSSCGKSA-N 1 0 393.265 2.805 20 0 GFADRO CN(C[C@H](O)C[NH3+])C(=O)Nc1nc([C@H]2CCC[C@@H](C(F)(F)F)C2)cs1 ZINC000632954700 566076082 /nfs/dbraw/zinc/07/60/82/566076082.db2.gz AZSLTCFODUVLEV-HBNTYKKESA-N 1 0 380.436 2.763 20 0 GFADRO CC(C)Oc1cc(NC(=O)C(=O)NC2CCC([NH3+])CC2)ccc1Br ZINC000633000730 566078480 /nfs/dbraw/zinc/07/84/80/566078480.db2.gz OUJLFHPDPIKXPD-UHFFFAOYSA-N 1 0 398.301 2.561 20 0 GFADRO [NH3+]C[C@H]1CC[C@H](NC(=O)C(=O)Nc2cc(Cl)cc(Br)c2)CC1 ZINC000633036367 566080398 /nfs/dbraw/zinc/08/03/98/566080398.db2.gz LIKAEHBRANXNIW-OTCDBFHCSA-N 1 0 388.693 2.675 20 0 GFADRO Brc1ccccc1N1CC[C@@H]([NH2+]C2CCN([C@H]3CCOC3)CC2)C1 ZINC000655710589 566084548 /nfs/dbraw/zinc/08/45/48/566084548.db2.gz AHWIMCMYOIQSKI-SJORKVTESA-N 1 0 394.357 2.871 20 0 GFADRO Cc1nn(-c2cccc(Br)c2)cc1C[NH2+]C[C@@]1(CCO)CCOC1 ZINC000655747661 566085252 /nfs/dbraw/zinc/08/52/52/566085252.db2.gz IYWURFFTIVFCLU-GOSISDBHSA-N 1 0 394.313 2.822 20 0 GFADRO CNC(=O)[C@@H]([NH2+]Cc1cn(-c2ccccc2Br)nc1C)C(C)C ZINC000655750879 566085841 /nfs/dbraw/zinc/08/58/41/566085841.db2.gz CXGWAYFYUHUYCV-INIZCTEOSA-N 1 0 379.302 2.803 20 0 GFADRO OC[C@@H](C[NH2+]Cc1cc2n(n1)CCCC2)Cc1ccc(Br)cc1 ZINC000655767051 566087348 /nfs/dbraw/zinc/08/73/48/566087348.db2.gz XNYPLJVBCPHQRX-OAHLLOKOSA-N 1 0 378.314 2.923 20 0 GFADRO CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](Oc3cncc(Br)c3)C2)CC[N@@H+]1C ZINC000633166889 566087622 /nfs/dbraw/zinc/08/76/22/566087622.db2.gz JRYYTYBDZXYEGT-VNQPRFMTSA-N 1 0 382.302 2.554 20 0 GFADRO CCC[C@@H](O)[C@@H](CO)[NH2+]Cc1cn(-c2cccc(Br)c2)nc1C ZINC000655779967 566089077 /nfs/dbraw/zinc/08/90/77/566089077.db2.gz CKOSAALAJXXHII-IAGOWNOFSA-N 1 0 382.302 2.555 20 0 GFADRO [NH3+]C[C@H](NC(=O)N[C@H](CO)c1ccc(Cl)cc1C(F)(F)F)C(F)(F)F ZINC000655927421 566096761 /nfs/dbraw/zinc/09/67/61/566096761.db2.gz IRTMIWQZAGAJCR-ZJUUUORDSA-N 1 0 393.715 2.581 20 0 GFADRO [NH3+]C[C@@H](NC(=O)N1CC[C@H](Cc2ccc(Br)cc2)C1)C(F)(F)F ZINC000655925574 566096779 /nfs/dbraw/zinc/09/67/79/566096779.db2.gz DLZDWAAAXYUVAU-DGCLKSJQSA-N 1 0 394.235 2.913 20 0 GFADRO CC[C@H](NC[C@H](O)C[NH+]1CCCC1)c1ccc(I)cc1 ZINC000610803917 566100295 /nfs/dbraw/zinc/10/02/95/566100295.db2.gz DWFXZQNDJVLDSP-HOTGVXAUSA-N 1 0 388.293 2.789 20 0 GFADRO O=C(Cc1ccc(Br)s1)N1CCc2[nH]cnc2C12CCOCC2 ZINC000633525000 566108262 /nfs/dbraw/zinc/10/82/62/566108262.db2.gz AWYRLNQNTSEJLW-UHFFFAOYSA-N 1 0 396.310 2.867 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cccc(F)c1I ZINC000611002007 566109922 /nfs/dbraw/zinc/10/99/22/566109922.db2.gz XHSZYENRPVEAOB-GHMZBOCLSA-N 1 0 388.224 2.787 20 0 GFADRO CN(CC[NH+]1CCCCC1)C(=O)c1ccc2cncc(Br)c2n1 ZINC000633582431 566110277 /nfs/dbraw/zinc/11/02/77/566110277.db2.gz ORWHEPNARMHADS-UHFFFAOYSA-N 1 0 377.286 2.950 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1CN[C@H](C[NH3+])C(F)(F)F ZINC000656194414 566113497 /nfs/dbraw/zinc/11/34/97/566113497.db2.gz JONWQFREVBSQKP-CYBMUJFWSA-N 1 0 377.208 2.922 20 0 GFADRO COCCn1cc(C(=O)N[C@@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)cn1 ZINC000633687637 566113946 /nfs/dbraw/zinc/11/39/46/566113946.db2.gz SNCORQCDEHGSKH-INIZCTEOSA-N 1 0 385.295 2.869 20 0 GFADRO CC[N@@H+]1CCN(CC(=O)Nc2c(Cl)cc(Cl)cc2C(=O)OC)C[C@H]1C ZINC000611091722 566114015 /nfs/dbraw/zinc/11/40/15/566114015.db2.gz CYSHZLDIZVFWHV-LLVKDONJSA-N 1 0 388.295 2.745 20 0 GFADRO Cc1nn(-c2ccccc2Br)cc1C[N@@H+]1CCC[C@H](OCCO)C1 ZINC000656252084 566117933 /nfs/dbraw/zinc/11/79/33/566117933.db2.gz QWCPARVHUUFKGT-INIZCTEOSA-N 1 0 394.313 2.917 20 0 GFADRO Cc1c(Br)cccc1CNC(=O)C(=O)NCC[NH+](C(C)C)C(C)C ZINC000656282700 566122080 /nfs/dbraw/zinc/12/20/80/566122080.db2.gz QIBVUSFSKAMKBM-UHFFFAOYSA-N 1 0 398.345 2.609 20 0 GFADRO CC[C@@H]([NH2+][C@@H](CO)c1cnn(C)c1)c1ccc(I)cc1 ZINC000611337256 566126765 /nfs/dbraw/zinc/12/67/65/566126765.db2.gz NBFWKFAAMRCIHP-CABCVRRESA-N 1 0 385.249 2.799 20 0 GFADRO CS[C@@H]1CN(C[C@H](O)COc2ccc(Cl)c(Cl)c2)C[C@@H]1[NH+](C)C ZINC000611432604 566128731 /nfs/dbraw/zinc/12/87/31/566128731.db2.gz WBCGRPYMNSUDSL-KNXALSJPSA-N 1 0 379.353 2.711 20 0 GFADRO CCC1([NH+]2CCCC2)CCN(C(=O)Cc2cc[nH]c(=O)c2Br)CC1 ZINC000633955597 566132947 /nfs/dbraw/zinc/13/29/47/566132947.db2.gz AFQJSJDRDIZRBX-UHFFFAOYSA-N 1 0 396.329 2.959 20 0 GFADRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)c1cnc2ncc(Br)cc2c1 ZINC000681967116 566135030 /nfs/dbraw/zinc/13/50/30/566135030.db2.gz XDKMUYDLPQIJCQ-NSHDSACASA-N 1 0 375.270 2.606 20 0 GFADRO Cn1ncc(Br)c1CNC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000633991996 566136357 /nfs/dbraw/zinc/13/63/57/566136357.db2.gz IWGVPJKVGVCNNG-UHFFFAOYSA-N 1 0 391.313 2.711 20 0 GFADRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1cnc2ncc(Br)cc2c1 ZINC000682002387 566137921 /nfs/dbraw/zinc/13/79/21/566137921.db2.gz YIRIUFZJISHZTL-IAQYHMDHSA-N 1 0 377.286 2.805 20 0 GFADRO CCOC(=O)COc1c(Br)cc(C)cc1C[NH2+]C[C@@H]1CCOC1 ZINC000611622506 566139832 /nfs/dbraw/zinc/13/98/32/566139832.db2.gz WZBBCIKHEXETMU-ZDUSSCGKSA-N 1 0 386.286 2.826 20 0 GFADRO CCO[C@H]1C[C@](CO)([NH2+]Cc2cn3cc(Br)ccc3n2)C1(C)C ZINC000682043360 566141734 /nfs/dbraw/zinc/14/17/34/566141734.db2.gz PUBPGEXYTQVFMI-WMLDXEAASA-N 1 0 382.302 2.753 20 0 GFADRO Cc1[nH]c(=O)c(C(=O)Nc2cnn(C3CC[NH+](C)CC3)c2)cc1Br ZINC000634093253 566142415 /nfs/dbraw/zinc/14/24/15/566142415.db2.gz LMEHHORSELQOCN-UHFFFAOYSA-N 1 0 394.273 2.574 20 0 GFADRO C[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2cccnc2-c2ccc(Cl)s2)C1 ZINC000682081512 566142827 /nfs/dbraw/zinc/14/28/27/566142827.db2.gz MZQVVKJTNISFKC-NSHDSACASA-N 1 0 378.885 2.612 20 0 GFADRO CO[C@@H]1CCC[N@H+](C[C@H](O)COc2cc(F)cc(Br)c2)CC1 ZINC000682218391 566147675 /nfs/dbraw/zinc/14/76/75/566147675.db2.gz HNYITFWYCSISNC-LSDHHAIUSA-N 1 0 376.266 2.829 20 0 GFADRO COc1ccc(C[N@H+](C)C[C@H](O)COc2cc(F)cc(Br)c2)cn1 ZINC000682219591 566148490 /nfs/dbraw/zinc/14/84/90/566148490.db2.gz SQUDPQVIWQFIDM-HNNXBMFYSA-N 1 0 399.260 2.864 20 0 GFADRO CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)Nc1ccc(Br)c(F)c1 ZINC000682271963 566149362 /nfs/dbraw/zinc/14/93/62/566149362.db2.gz DLZXCXRKFOXPSD-LLVKDONJSA-N 1 0 386.265 2.517 20 0 GFADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)Nc1cc(Br)ccc1F ZINC000682277149 566149607 /nfs/dbraw/zinc/14/96/07/566149607.db2.gz FEDMYOXAHXFPGS-LBPRGKRZSA-N 1 0 386.265 2.517 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N2CCC[C@@H]([NH2+]C(C)C)C2)cc1Br ZINC000682354228 566151525 /nfs/dbraw/zinc/15/15/25/566151525.db2.gz CWHOOUBCGIIEHL-CQSZACIVSA-N 1 0 396.329 2.993 20 0 GFADRO Cc1cccc(C[N@@H+]2CC[C@H](NC(=O)c3c[nH]c(=O)c(Br)c3)C2)c1 ZINC000634272844 566151762 /nfs/dbraw/zinc/15/17/62/566151762.db2.gz IADIEEFVWNZZDP-HNNXBMFYSA-N 1 0 390.281 2.862 20 0 GFADRO COC1CC[NH+](CCNC(=O)Nc2cc(F)cc(F)c2Br)CC1 ZINC000682402991 566152159 /nfs/dbraw/zinc/15/21/59/566152159.db2.gz YLXILQTWMXNDMJ-UHFFFAOYSA-N 1 0 392.244 2.960 20 0 GFADRO CSc1ccc(Cl)c(NCC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)c1 ZINC000656658872 566153785 /nfs/dbraw/zinc/15/37/85/566153785.db2.gz OIAQHGLJOJEHNE-AWEZNQCLSA-N 1 0 385.961 2.947 20 0 GFADRO COC[C@H]([NH2+][C@@H](C)C(=O)Nc1ccc(Br)cc1)C1CCOCC1 ZINC000656679459 566154342 /nfs/dbraw/zinc/15/43/42/566154342.db2.gz IXTMRIBHTJTJSX-LRDDRELGSA-N 1 0 385.302 2.807 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)NCCn1ccc(C(F)(F)F)n1)c1cccs1 ZINC000634534409 566158549 /nfs/dbraw/zinc/15/85/49/566158549.db2.gz QSRGWCVRNDWHBJ-NSHDSACASA-N 1 0 375.420 2.566 20 0 GFADRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3cc(Br)cc4c3OCCO4)CC[C@@H]21 ZINC000612516580 566164593 /nfs/dbraw/zinc/16/45/93/566164593.db2.gz DGAPVBKWLVODPJ-WFASDCNBSA-N 1 0 395.297 2.777 20 0 GFADRO C[C@@H]([NH2+]CCn1ccc(C(F)(F)F)n1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000634687587 566169962 /nfs/dbraw/zinc/16/99/62/566169962.db2.gz QXMNQKZDYFVCOB-SNVBAGLBSA-N 1 0 379.379 2.795 20 0 GFADRO C[C@@](O)(C[C@@H](O)C[NH2+]CCOc1ncc(C(F)(F)F)cc1Cl)C1CC1 ZINC000634705546 566170620 /nfs/dbraw/zinc/17/06/20/566170620.db2.gz CDTGBGSNJZHLGO-IUODEOHRSA-N 1 0 382.810 2.634 20 0 GFADRO CC[C@@H](Cc1ccccc1Br)[NH2+]C[C@@H](O)CC1(O)CCOCC1 ZINC000634707144 566171452 /nfs/dbraw/zinc/17/14/52/566171452.db2.gz ALVGCHGWZLGQCO-HOTGVXAUSA-N 1 0 386.330 2.652 20 0 GFADRO CC1(C)Cc2c(cccc2Br)[C@H]1[NH2+]C[C@H](O)CC1(O)CCOCC1 ZINC000634713789 566172506 /nfs/dbraw/zinc/17/25/06/566172506.db2.gz BBDPMTSMTXQXDA-CXAGYDPISA-N 1 0 398.341 2.955 20 0 GFADRO C[C@H]([NH2+]C[C@@H](O)CC1(O)CCOCC1)c1ccc(F)c(Br)c1 ZINC000634713883 566172621 /nfs/dbraw/zinc/17/26/21/566172621.db2.gz CBGKKJHKTRXSRJ-AAEUAGOBSA-N 1 0 376.266 2.531 20 0 GFADRO CCCOc1ccc(Br)cc1S(=O)(=O)NCC[N@H+](C)C1CC1 ZINC000656883645 566174004 /nfs/dbraw/zinc/17/40/04/566174004.db2.gz FCOPURBFYCAWGY-UHFFFAOYSA-N 1 0 391.331 2.610 20 0 GFADRO O=C(N[C@@H]1CC12CC[NH2+]CC2)N1CCc2c(Br)ccc(F)c2C1 ZINC000612980776 566181392 /nfs/dbraw/zinc/18/13/92/566181392.db2.gz VFEVQKCTDPFPKH-OAHLLOKOSA-N 1 0 382.277 2.798 20 0 GFADRO C[C@H](CNC(=O)N[C@@H]1CC12CC[NH2+]CC2)Oc1cccc(Br)c1 ZINC000612978449 566181664 /nfs/dbraw/zinc/18/16/64/566181664.db2.gz XTKQNQKELVDFBV-IUODEOHRSA-N 1 0 382.302 2.658 20 0 GFADRO C[C@@H](CNC(=O)N[C@H]1CC12CC[NH2+]CC2)Oc1ccc(Br)cc1 ZINC000612977981 566181744 /nfs/dbraw/zinc/18/17/44/566181744.db2.gz UHKIBRVXVVPYAT-WFASDCNBSA-N 1 0 382.302 2.658 20 0 GFADRO COCCN(Cc1cc(Br)cs1)C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000683150045 566185559 /nfs/dbraw/zinc/18/55/59/566185559.db2.gz UUOFLTQRDSTLSG-ZDUSSCGKSA-N 1 0 390.347 2.763 20 0 GFADRO O=C1[C@@H]([NH2+][C@@H]2CCCS(=O)(=O)CC2)CCN1c1ccc(Cl)c(Cl)c1 ZINC000634975500 566185882 /nfs/dbraw/zinc/18/58/82/566185882.db2.gz ZWDBLUGJGUGLTE-ABAIWWIYSA-N 1 0 391.320 2.656 20 0 GFADRO O=C1[C@H]([NH2+][C@@H]2CCCS(=O)(=O)CC2)CCN1c1ccc(Cl)c(Cl)c1 ZINC000634975501 566186141 /nfs/dbraw/zinc/18/61/41/566186141.db2.gz ZWDBLUGJGUGLTE-IAQYHMDHSA-N 1 0 391.320 2.656 20 0 GFADRO O=C(Nc1ccccc1Br)C1CCN(CC23CC(C2)C[NH2+]3)CC1 ZINC000634993744 566188379 /nfs/dbraw/zinc/18/83/79/566188379.db2.gz DUGOUUDNTJRRFW-UHFFFAOYSA-N 1 0 378.314 2.852 20 0 GFADRO CN(CC[N@H+](C)C1CC1)S(=O)(=O)c1cc(Cl)cc(Br)c1 ZINC000656961666 566194071 /nfs/dbraw/zinc/19/40/71/566194071.db2.gz OILKFPSUQMVUQB-UHFFFAOYSA-N 1 0 381.723 2.817 20 0 GFADRO O=S1(=O)CCCN1CCC[NH2+]C1CC(c2cccc(Br)c2)C1 ZINC000683346943 566195667 /nfs/dbraw/zinc/19/56/67/566195667.db2.gz GPFXVYUSUJBAGS-UHFFFAOYSA-N 1 0 387.343 2.710 20 0 GFADRO COc1ccc([C@H](C[NH+](C)C)NC(=O)C(=O)Nc2cscc2Cl)cc1 ZINC000635157643 566196236 /nfs/dbraw/zinc/19/62/36/566196236.db2.gz MQIGOMXSJDGVKD-AWEZNQCLSA-N 1 0 381.885 2.768 20 0 GFADRO COCCCN(C1CC[NH+](C)CC1)S(=O)(=O)Cc1cc(F)ccc1Cl ZINC000656992693 566202654 /nfs/dbraw/zinc/20/26/54/566202654.db2.gz UDKWKQMGEHJZAT-UHFFFAOYSA-N 1 0 392.924 2.742 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@@H]1CNS(=O)(=O)Cc1ccc(OC(F)(F)F)cc1 ZINC000657033965 566209262 /nfs/dbraw/zinc/20/92/62/566209262.db2.gz NUFHKCHCQVCTIA-CYBMUJFWSA-N 1 0 380.432 2.877 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@@H](CNS(=O)(=O)c2ccc(Br)s2)C1 ZINC000657034355 566209480 /nfs/dbraw/zinc/20/94/80/566209480.db2.gz PABBJXJUPIMXDX-JTQLQIEISA-N 1 0 381.361 2.909 20 0 GFADRO C[C@@H](NC(=O)C[C@H]1CC[N@H+](C)C1)c1cc2c(cc1Br)OCCO2 ZINC000635391788 566209906 /nfs/dbraw/zinc/20/99/06/566209906.db2.gz WAMDAHSINKONPN-VXGBXAGGSA-N 1 0 383.286 2.739 20 0 GFADRO C[N@@H+]1CC[C@H](CC(=O)N2CCN(C(=O)c3c(Cl)cccc3Cl)CC2)C1 ZINC000635403475 566210575 /nfs/dbraw/zinc/21/05/75/566210575.db2.gz OYMYUZKUTPLSAO-CYBMUJFWSA-N 1 0 384.307 2.620 20 0 GFADRO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NCc1c(Br)cnn1C ZINC000683771278 566213332 /nfs/dbraw/zinc/21/33/32/566213332.db2.gz DMHFCQIRFUYCRX-XJKSGUPXSA-N 1 0 378.318 2.578 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000635459250 566214776 /nfs/dbraw/zinc/21/47/76/566214776.db2.gz HRFPXOYLVBVBAS-CYBMUJFWSA-N 1 0 382.302 2.544 20 0 GFADRO CS(=O)(=O)C1(C[NH2+][C@H](c2ccc(Br)cc2)[C@@H]2CCCO2)CC1 ZINC000684557995 566238915 /nfs/dbraw/zinc/23/89/15/566238915.db2.gz SQXJNSUTFOBPKJ-LSDHHAIUSA-N 1 0 388.327 2.836 20 0 GFADRO Cn1cc([C@@H]2NC(=O)CC[C@H]2[NH2+]Cc2cccc(OCc3ccccn3)c2)cn1 ZINC000275724791 570699008 /nfs/dbraw/zinc/69/90/08/570699008.db2.gz ZFXVBIHGDRHAAD-IRLDBZIGSA-N 1 0 391.475 2.504 20 0 GFADRO CN(C(=O)Cc1ccc(-c2nn[nH]n2)cc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000736739044 598823087 /nfs/dbraw/zinc/82/30/87/598823087.db2.gz HMMUVZFOOXANLL-UHFFFAOYSA-N 1 0 390.491 2.532 20 0 GFADRO Cc1cc(N2C[C@H]3CCC[N@H+]3C[C@@H]2C)n2c3ccccc3nc2c1-c1nn[nH]n1 ZINC000737270084 598832408 /nfs/dbraw/zinc/83/24/08/598832408.db2.gz IPRDMTZIOPVJDY-LSDHHAIUSA-N 1 0 388.479 2.649 20 0 GFADRO C[C@@H]([NH2+]Cc1ccc(-c2nn[nH]n2)cc1)c1cc(F)ccc1N1CCC(O)CC1 ZINC000736134677 598837569 /nfs/dbraw/zinc/83/75/69/598837569.db2.gz LESFAOLLHLPYRK-CQSZACIVSA-N 1 0 396.470 2.818 20 0 GFADRO COC(=O)[C@H](c1ccc(-c2nn[nH]n2)cc1)[N@@H+]1C[C@@H](c2ccccc2)C[C@H]1C ZINC000736901938 598863973 /nfs/dbraw/zinc/86/39/73/598863973.db2.gz POZHZGNLRFRRGL-CCKFTAQKSA-N 1 0 377.448 2.959 20 0 GFADRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)Nc2cccc(-c3nn[nH]n3)c2)C1 ZINC000736268908 598876900 /nfs/dbraw/zinc/87/69/00/598876900.db2.gz VMFNQWGCPNUQKR-HOTGVXAUSA-N 1 0 383.500 2.985 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)Nc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000736265873 598877022 /nfs/dbraw/zinc/87/70/22/598877022.db2.gz DQFJAVNQLSFILF-HZPDHXFCSA-N 1 0 383.500 2.985 20 0 GFADRO CC(=O)N1CCC([NH2+]Cc2cccc(-c3ccc(-c4nn[nH]n4)s3)c2)CC1 ZINC000735465039 598886782 /nfs/dbraw/zinc/88/67/82/598886782.db2.gz GJUJPHFEBQUDJE-UHFFFAOYSA-N 1 0 382.493 2.696 20 0 GFADRO Cc1ccccc1C[C@H]1CCC[N@@H+]1CC(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000737426464 598947553 /nfs/dbraw/zinc/94/75/53/598947553.db2.gz MLTZGMFOPDOLQI-LJQANCHMSA-N 1 0 376.464 2.821 20 0 GFADRO C[NH+](C)[C@H](CNc1c2ccccc2nnc1-c1nn[nH]n1)c1cccc(F)c1 ZINC000736760165 598954460 /nfs/dbraw/zinc/95/44/60/598954460.db2.gz QCDFTLXMLPIRQE-MRXNPFEDSA-N 1 0 378.415 2.664 20 0 GFADRO CCO[C@H]1C[C@H]([N@H+](C)Cn2ccc(-c3ccc(-c4nn[nH]n4)cc3)n2)C1(C)C ZINC000736608252 598954849 /nfs/dbraw/zinc/95/48/49/598954849.db2.gz BUBSHJUAKHWSRT-ROUUACIJSA-N 1 0 381.484 2.823 20 0 GFADRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(c2c3ccccc3nnc2-c2nn[nH]n2)C1 ZINC000736269344 598969061 /nfs/dbraw/zinc/96/90/61/598969061.db2.gz WFSFTHGENBKYPW-HOTGVXAUSA-N 1 0 392.511 2.901 20 0 GFADRO COc1cc(-c2nn[nH]n2)ccc1OCC[N@@H+]1CCC[C@H]1Cc1ccccc1 ZINC000737033241 598980844 /nfs/dbraw/zinc/98/08/44/598980844.db2.gz SJDIIVCREWUUPI-SFHVURJKSA-N 1 0 379.464 2.961 20 0 GFADRO CCC[N@H+](CCC(=O)Nc1ccccc1-c1nn[nH]n1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000736472447 598989821 /nfs/dbraw/zinc/98/98/21/598989821.db2.gz WZECRPWQZRBQCT-LZQZEXGQSA-N 1 0 398.511 2.721 20 0 GFADRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1CCOc1ccccc1-c1nn[nH]n1 ZINC000736290954 598993292 /nfs/dbraw/zinc/99/32/92/598993292.db2.gz SGKZUAZENWEOFC-SFHVURJKSA-N 1 0 392.507 2.842 20 0 GFADRO O=C(OCc1ccc(F)cc1-c1nn[nH]n1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000738232200 599058033 /nfs/dbraw/zinc/05/80/33/599058033.db2.gz QOOHYPOXPIFIRV-UHFFFAOYSA-N 1 0 395.438 2.961 20 0 GFADRO C[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(-c3nn[nH]n3)cc2)[C@H]1c1cccs1 ZINC000736858980 599084868 /nfs/dbraw/zinc/08/48/68/599084868.db2.gz WMRYRJMILAHHBW-RDJZCZTQSA-N 1 0 382.493 2.741 20 0 GFADRO O=C(NCc1cc(-c2nn[nH]n2)ccc1F)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000823242238 599175270 /nfs/dbraw/zinc/17/52/70/599175270.db2.gz RYAOQNUOQXOTNI-UHFFFAOYSA-N 1 0 394.454 2.922 20 0 GFADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccccc2-c2ccccc2-c2nn[nH]n2)C1 ZINC000821159962 599213949 /nfs/dbraw/zinc/21/39/49/599213949.db2.gz FESFUKSJRKYKBW-INIZCTEOSA-N 1 0 390.491 2.948 20 0 GFADRO C[NH+](C)CCNC(=O)c1cccc(Oc2cccc(Cl)c2-c2nn[nH]n2)c1 ZINC000736768974 599214353 /nfs/dbraw/zinc/21/43/53/599214353.db2.gz LSSXKRPMJYYYEP-UHFFFAOYSA-N 1 0 386.843 2.604 20 0 GFADRO CCC[N@H+](C)C[C@@H]1CCN(C(=S)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)C1 ZINC000821088105 599230232 /nfs/dbraw/zinc/23/02/32/599230232.db2.gz JPOYWMUUFUTACV-LBPRGKRZSA-N 1 0 393.948 2.881 20 0 GFADRO CC1CC[NH+](CCCNc2c(-c3nn[nH]n3)cnc3c(F)ccc(F)c32)CC1 ZINC000736277427 599258557 /nfs/dbraw/zinc/25/85/57/599258557.db2.gz VTBKDFNGGDHAQE-UHFFFAOYSA-N 1 0 387.438 2.649 20 0 GFADRO CC(C)C[NH+]1CCN(C(=O)Nc2ccc(-c3nn[nH]n3)c(C(F)(F)F)c2)CC1 ZINC000820092012 599285366 /nfs/dbraw/zinc/28/53/66/599285366.db2.gz DPBXZGHYGARESB-UHFFFAOYSA-N 1 0 397.405 2.691 20 0 GFADRO O=C(c1sccc1-c1nn[nH]n1)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000738289641 598234241 /nfs/dbraw/zinc/23/42/41/598234241.db2.gz KVJXBQWMJPWYJZ-UHFFFAOYSA-N 1 0 396.520 2.709 20 0 GFADRO COC(=O)CC[N@H+](Cc1cn2ccccc2c1-c1nn[nH]n1)Cc1ccccc1 ZINC000736913827 598250061 /nfs/dbraw/zinc/25/00/61/598250061.db2.gz WVYSOZXQOLLCGT-UHFFFAOYSA-N 1 0 390.447 2.685 20 0 GFADRO C[NH+](C)C[C@H]1CCCCN1C(=S)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000736761452 598323727 /nfs/dbraw/zinc/32/37/27/598323727.db2.gz FWVOBTYCJZWOSA-GFCCVEGCSA-N 1 0 379.921 2.633 20 0 GFADRO Cc1cnn(CC2CC[NH+](Cc3cn4ccccc4c3-c3nn[nH]n3)CC2)c1 ZINC000737446205 598368226 /nfs/dbraw/zinc/36/82/26/598368226.db2.gz WYRPQPFLUZOKLR-UHFFFAOYSA-N 1 0 376.468 2.537 20 0 GFADRO O[C@H](COc1ccc(-c2nn[nH]n2)cc1)C[N@@H+]1CCC[C@@H](c2ccccc2)CC1 ZINC000738387190 598463473 /nfs/dbraw/zinc/46/34/73/598463473.db2.gz OARHLEUPTZCBBN-QUCCMNQESA-N 1 0 393.491 2.876 20 0 GFADRO Cc1ccc(C(=O)N2CCC([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)CC2)cc1 ZINC000737309866 598466827 /nfs/dbraw/zinc/46/68/27/598466827.db2.gz VFEVBJHKFNEYAV-UHFFFAOYSA-N 1 0 376.464 2.570 20 0 GFADRO CCOc1ccc(-c2nn[nH]n2)cc1NC(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000736633640 598483820 /nfs/dbraw/zinc/48/38/20/598483820.db2.gz CYSONIIDPPISJY-OKILXGFUSA-N 1 0 387.488 2.650 20 0 GFADRO Cc1cc(NC[C@@H]2CCC[N@@H+](C)C2)n2c3ccccc3nc2c1-c1nn[nH]n1 ZINC000737275461 598504010 /nfs/dbraw/zinc/50/40/10/598504010.db2.gz VWQWNIGKPOZMRP-AWEZNQCLSA-N 1 0 376.468 2.730 20 0 GFADRO O=C(CC1CCCC1)NC1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2F)CC1 ZINC000737813233 598558960 /nfs/dbraw/zinc/55/89/60/598558960.db2.gz JGLMAYPBAIQHKY-UHFFFAOYSA-N 1 0 386.475 2.667 20 0 GFADRO c1ccc(-c2nn[nH]n2)c(COc2cccc(C[NH2+]CC3CCOCC3)c2)c1 ZINC000738409849 598562443 /nfs/dbraw/zinc/56/24/43/598562443.db2.gz HHFVLLGWYQFIDH-UHFFFAOYSA-N 1 0 379.464 2.962 20 0 GFADRO O=C(Nc1ccc(F)c(-c2nn[nH]n2)c1)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000738160824 598598379 /nfs/dbraw/zinc/59/83/79/598598379.db2.gz CLLGASLJJHNJGT-AWEZNQCLSA-N 1 0 398.417 2.996 20 0 GFADRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)Nc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC000736265346 598625990 /nfs/dbraw/zinc/62/59/90/598625990.db2.gz IGFQJQMNRSFTRW-GFCCVEGCSA-N 1 0 375.452 2.638 20 0 GFADRO O=C(NCc1ccccc1C[NH+]1CCCC1)Nc1ccc(F)c(-c2nn[nH]n2)c1 ZINC000738115383 598633003 /nfs/dbraw/zinc/63/30/03/598633003.db2.gz CGZSSKAIVSKCHP-UHFFFAOYSA-N 1 0 395.442 2.923 20 0 GFADRO O=C(Nc1ccc(F)c(-c2nn[nH]n2)c1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000738163661 598633132 /nfs/dbraw/zinc/63/31/32/598633132.db2.gz SALMFRPWBIZXLE-UHFFFAOYSA-N 1 0 395.442 2.746 20 0 GFADRO O=C(CCc1ccc(-c2nn[nH]n2)cc1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000737851793 598669049 /nfs/dbraw/zinc/66/90/49/598669049.db2.gz JMJLEHRMQCURNJ-IBGZPJMESA-N 1 0 396.539 2.914 20 0 GFADRO CN(CC[NH+]1CCCC1)C(=O)c1cccc(Oc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000736798636 598669548 /nfs/dbraw/zinc/66/95/48/598669548.db2.gz CWXJLPBJPBRXKA-UHFFFAOYSA-N 1 0 392.463 2.827 20 0 GFADRO Cc1cccc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccc(F)cc3-c3nn[nH]n3)C2)n1 ZINC000737399261 598682507 /nfs/dbraw/zinc/68/25/07/598682507.db2.gz MFCNNQMQBJLNKP-OAHLLOKOSA-N 1 0 395.442 2.560 20 0 GFADRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C=Cc2ccccc2-c2nn[nH]n2)C1 ZINC000736402900 598694022 /nfs/dbraw/zinc/69/40/22/598694022.db2.gz PVPPEIBWUKSTSG-LPQFERQCSA-N 1 0 382.512 2.897 20 0 GFADRO O=C(NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000738023447 598697964 /nfs/dbraw/zinc/69/79/64/598697964.db2.gz IMCQMPZUCQLGSS-UHFFFAOYSA-N 1 0 396.882 2.915 20 0 GFADRO CC[N@@H+]1CCC[C@@H](Nc2c(-c3nn[nH]n3)cnc3c(F)ccc(Cl)c32)C1 ZINC000736568835 598744231 /nfs/dbraw/zinc/74/42/31/598744231.db2.gz CSUVWOHNDUOKOI-SNVBAGLBSA-N 1 0 375.839 2.526 20 0 GFADRO C[N@@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)Nc1cc(-c2nn[nH]n2)cn1C(C)(C)C ZINC000736859351 598757964 /nfs/dbraw/zinc/75/79/64/598757964.db2.gz FYYWLNXVBJIATG-LSDHHAIUSA-N 1 0 386.504 2.514 20 0 GFADRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(CCC(=O)Nc2ccccc2-c2nn[nH]n2)C1 ZINC000736238437 598809992 /nfs/dbraw/zinc/80/99/92/598809992.db2.gz VETDHJFTAPPYEK-ZACQAIPSSA-N 1 0 397.527 2.533 20 0 GFADRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(Cc2cn3ccccc3c2-c2nn[nH]n2)C1 ZINC000736236425 598810191 /nfs/dbraw/zinc/81/01/91/598810191.db2.gz JPHIWNYZHXYTCM-NUJGCVRESA-N 1 0 379.512 2.957 20 0 GFADRO Cc1cccc(C2([NH2+]C[C@H](O)COc3ccc(-c4nn[nH]n4)cc3)CCCC2)c1 ZINC000737391071 598811327 /nfs/dbraw/zinc/81/13/27/598811327.db2.gz XQXIOCICFAGPNK-IBGZPJMESA-N 1 0 393.491 2.974 20 0 GFADRO O=C(Nc1ccc(-c2nn[nH]n2)c(C(F)(F)F)c1)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000823303650 599295541 /nfs/dbraw/zinc/29/55/41/599295541.db2.gz PORDKIUGKOXXMQ-UONOGXRCSA-N 1 0 395.389 2.634 20 0 GFADRO C[C@@H](NC(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1)c1cccc(-c2nn[nH]n2)c1 ZINC000820358388 599299410 /nfs/dbraw/zinc/29/94/10/599299410.db2.gz NEUUPJRAZMMIQG-PBHICJAKSA-N 1 0 395.467 2.657 20 0 GFADRO C[C@@H](c1ccc(-c2nn[nH]n2)cc1)[N@@H+]1CCC[C@@H](C(=O)Nc2ccccn2)C1 ZINC000736197753 599309612 /nfs/dbraw/zinc/30/96/12/599309612.db2.gz ORTWPPATVHKULF-WMLDXEAASA-N 1 0 377.452 2.673 20 0 GFADRO Cc1cccc(NC(=O)[C@@H]2CCC[N@@H+]([C@H](C)c3ccc(-c4nn[nH]n4)cc3)C2)n1 ZINC000737401439 599310656 /nfs/dbraw/zinc/31/06/56/599310656.db2.gz YDHOUEOHYUIUJW-CRAIPNDOSA-N 1 0 391.479 2.982 20 0 GFADRO O=C(OCc1ccccc1-c1nn[nH]n1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000738234752 599367601 /nfs/dbraw/zinc/36/76/01/599367601.db2.gz LWZAWAHXOXXRNG-KRWDZBQOSA-N 1 0 377.448 2.822 20 0 GFADRO CCC[C@@H](CCc1ccccc1)[NH2+][C@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821021839 599380857 /nfs/dbraw/zinc/38/08/57/599380857.db2.gz PGOCBGHLIYVXOO-OALUTQOASA-N 1 0 378.480 2.784 20 0 GFADRO C[C@H]([NH2+][C@@H]1CC(=O)N([C@@H]2C[C@@H]2c2ccccc2)C1)c1ccc(-c2nn[nH]n2)cc1 ZINC000820412716 599386950 /nfs/dbraw/zinc/38/69/50/599386950.db2.gz MPOWZNJYLPAISP-NDSDBLNTSA-N 1 0 388.475 2.674 20 0 GFADRO COc1ccc(C)cc1NC(=O)[C@@H](C)[NH2+][C@H](C)c1cccc(-c2nn[nH]n2)c1 ZINC000821782698 599387286 /nfs/dbraw/zinc/38/72/86/599387286.db2.gz KZMOGJKDHYWVCS-ZIAGYGMSSA-N 1 0 380.452 2.862 20 0 GFADRO CCOc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2cccc(-c3nn[nH]n3)c2)cc1 ZINC000821421690 599389264 /nfs/dbraw/zinc/38/92/64/599389264.db2.gz CQSVJUZYEBZUSM-UONOGXRCSA-N 1 0 380.452 2.943 20 0 GFADRO C[C@@H]([NH2+][C@@H]1CCN(c2ccccc2Cl)C1=O)c1cccc(-c2nn[nH]n2)c1 ZINC000820418890 599390013 /nfs/dbraw/zinc/39/00/13/599390013.db2.gz CIZFLXKOMBMHRS-MLGOLLRUSA-N 1 0 382.855 2.976 20 0 GFADRO C[C@H]([NH2+][C@H]1CCN(c2ccccc2Cl)C1=O)c1cccc(-c2nn[nH]n2)c1 ZINC000820418888 599390187 /nfs/dbraw/zinc/39/01/87/599390187.db2.gz CIZFLXKOMBMHRS-LRDDRELGSA-N 1 0 382.855 2.976 20 0 GFADRO COc1ccc(C[NH2+]Cc2ccc(N3CCCCCC3)nc2)cc1-c1nn[nH]n1 ZINC000821818318 599407101 /nfs/dbraw/zinc/40/71/01/599407101.db2.gz PFOPYSMXJPHYHA-UHFFFAOYSA-N 1 0 393.495 2.941 20 0 GFADRO COc1ccc(C[NH2+][C@@H]2CCN(c3ccc(F)cc3F)C2)cc1-c1nn[nH]n1 ZINC000821808562 599434019 /nfs/dbraw/zinc/43/40/19/599434019.db2.gz ILMRYLYKJYEHJR-CQSZACIVSA-N 1 0 386.406 2.522 20 0 GFADRO C[C@@H](C[NH2+]Cc1cnc2ccc(-c3nn[nH]n3)cn12)Oc1ccccc1Cl ZINC000820274922 599453708 /nfs/dbraw/zinc/45/37/08/599453708.db2.gz MHUNHPFFAVJVOR-LBPRGKRZSA-N 1 0 383.843 2.725 20 0 GFADRO CC(C)(C)OC(=O)CCCCC[NH2+]Cc1cnc2ccc(-c3nn[nH]n3)cn12 ZINC000819928276 599462330 /nfs/dbraw/zinc/46/23/30/599462330.db2.gz NDXGWIQAROVJMA-UHFFFAOYSA-N 1 0 385.472 2.506 20 0 GFADRO CC(C)(C)Oc1ccc(C[NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)cc1 ZINC000735639787 599485686 /nfs/dbraw/zinc/48/56/86/599485686.db2.gz OSJNFTQVVBWZAF-UHFFFAOYSA-N 1 0 377.452 2.982 20 0 GFADRO c1nc2ccc(-c3nn[nH]n3)cn2c1C[NH2+]Cc1ccnc(Oc2ccccc2)c1 ZINC000738433732 599486121 /nfs/dbraw/zinc/48/61/21/599486121.db2.gz UNKHBUQXNZLDLD-UHFFFAOYSA-N 1 0 398.430 2.992 20 0 GFADRO FC(F)(F)c1cc(-c2nn[nH]n2)ccc1NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000737627312 599520765 /nfs/dbraw/zinc/52/07/65/599520765.db2.gz PDBKGAYYEQBFJO-CQSZACIVSA-N 1 0 396.417 2.941 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)c1cccc(Nc2ccc(-c3nn[nH]n3)cc2)c1)C1CC1 ZINC000736757829 599564792 /nfs/dbraw/zinc/56/47/92/599564792.db2.gz FIAOZTKVHVBIEA-IBGZPJMESA-N 1 0 391.479 2.680 20 0 GFADRO c1cn(CN2CCC[C@@H]([NH+]3CCCC3)CC2)nc1-c1ccc(-c2nn[nH]n2)cc1 ZINC000738407626 599582018 /nfs/dbraw/zinc/58/20/18/599582018.db2.gz ZOYSTXKRCZVHIY-LJQANCHMSA-N 1 0 392.511 2.638 20 0 GFADRO CCc1ccc(N2CC[NH+](CCOc3ccccc3-c3nn[nH]n3)CC2)cc1 ZINC000821487086 599591575 /nfs/dbraw/zinc/59/15/75/599591575.db2.gz QDTNZBAOODHUHE-UHFFFAOYSA-N 1 0 378.480 2.630 20 0 GFADRO CSC[C@@](C)(O)C[NH2+]Cc1cccc(OCc2ccccc2-c2nn[nH]n2)c1 ZINC000737182090 599599654 /nfs/dbraw/zinc/59/96/54/599599654.db2.gz XLONBUJRNNYSCI-FQEVSTJZSA-N 1 0 399.520 2.649 20 0 GFADRO CCO[C@@H]1C[C@@H]([N@H+](C)CCC(=O)Nc2cccc(-c3nn[nH]n3)c2)C12CCCC2 ZINC000821359232 599639613 /nfs/dbraw/zinc/63/96/13/599639613.db2.gz MUYWTAKPFZTXAL-QZTJIDSGSA-N 1 0 398.511 2.865 20 0 GFADRO CC(C)Oc1ccc(NC(=O)c2cccc(C[NH+](C)C)c2)cc1-c1nn[nH]n1 ZINC000820174613 607440747 /nfs/dbraw/zinc/44/07/47/607440747.db2.gz TYXMHGBZVAHZMW-UHFFFAOYSA-N 1 0 380.452 2.968 20 0 GFADRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC1(c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000824875726 607453299 /nfs/dbraw/zinc/45/32/99/607453299.db2.gz OCEKCBFSCMOCBY-XHSDSOJGSA-N 1 0 397.527 2.521 20 0 GFADRO CCCCNC(=O)c1ccc(C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)cc1 ZINC000821071439 607473980 /nfs/dbraw/zinc/47/39/80/607473980.db2.gz FCHNZTALGSPGAK-UHFFFAOYSA-N 1 0 382.443 2.826 20 0 GFADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NCc1ccc(-c2nn[nH]n2)cc1F ZINC000822207446 607475409 /nfs/dbraw/zinc/47/54/09/607475409.db2.gz WPVYPOMZHYBWEE-UHFFFAOYSA-N 1 0 381.459 2.678 20 0 GFADRO O=C1CCCCN1c1ccc(C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)cc1 ZINC000823530090 607476111 /nfs/dbraw/zinc/47/61/11/607476111.db2.gz CHJVMFCHTYLSGY-UHFFFAOYSA-N 1 0 380.427 2.813 20 0 GFADRO O[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)c1ccc(OC(F)(F)F)cc1 ZINC000823680884 607478489 /nfs/dbraw/zinc/47/84/89/607478489.db2.gz BBKJXWJHWIHZNR-OAHLLOKOSA-N 1 0 397.332 2.728 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(C(=O)[O-])c(C)c1 ZINC000829765417 601040309 /nfs/dbraw/zinc/04/03/09/601040309.db2.gz TWYGOBJXQACQRG-KRWDZBQOSA-N 1 0 376.501 2.573 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(C)c(C(=O)[O-])c1 ZINC000829765534 601145012 /nfs/dbraw/zinc/14/50/12/601145012.db2.gz YAZZSTLWDBNHFQ-KRWDZBQOSA-N 1 0 376.501 2.573 20 0 GFADRO C[C@H](NC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)c1cccc(-c2nn[nH]n2)c1 ZINC000820348678 607498187 /nfs/dbraw/zinc/49/81/87/607498187.db2.gz FQBVDLJXIIHWSI-YJLNNSPDSA-N 1 0 395.511 2.586 20 0 GFADRO Cc1c(NC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cccc1-c1nn[nH]n1 ZINC000822084519 607507934 /nfs/dbraw/zinc/50/79/34/607507934.db2.gz LQOOAKUHKKJZFZ-KSSFIOAISA-N 1 0 381.484 2.656 20 0 GFADRO C[C@H]1Cc2ccccc2N1C1CC[NH+](Cc2ccnc(-c3nn[nH]n3)c2)CC1 ZINC000825011942 607516922 /nfs/dbraw/zinc/51/69/22/607516922.db2.gz AOFSRJJYXIYULQ-HNNXBMFYSA-N 1 0 375.480 2.677 20 0 GFADRO COc1ccc(-c2nn[nH]n2)cc1C[NH+]1CCC(O)(c2cccc(C)c2C)CC1 ZINC000826182832 607635739 /nfs/dbraw/zinc/63/57/39/607635739.db2.gz VOVIZAYVAQFEHN-UHFFFAOYSA-N 1 0 393.491 2.976 20 0 GFADRO Cc1cc(-c2nn[nH]n2)ccc1C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000826247389 607651205 /nfs/dbraw/zinc/65/12/05/607651205.db2.gz BEBKOZXGYYSZHJ-IBGZPJMESA-N 1 0 376.464 2.742 20 0 GFADRO Cc1cc(-c2nn[nH]n2)ccc1C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000826246314 607662010 /nfs/dbraw/zinc/66/20/10/607662010.db2.gz ASDJIGFTHKEZQZ-GOSISDBHSA-N 1 0 376.464 2.570 20 0 GFADRO Cc1cc(-c2nn[nH]n2)ccc1C(=O)N[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000826247447 607668604 /nfs/dbraw/zinc/66/86/04/607668604.db2.gz DHCANRWCOUUKCW-CRAIPNDOSA-N 1 0 376.464 2.740 20 0 GFADRO CC[C@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1c1ccc(-c2nn[nH]n2)cn1 ZINC000825060921 607679810 /nfs/dbraw/zinc/67/98/10/607679810.db2.gz UYJKFHRCBBBNSL-KXBFYZLASA-N 1 0 392.511 2.702 20 0 GFADRO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)c1ccc(-c2nn[nH]n2)cc1C ZINC000825413214 607701424 /nfs/dbraw/zinc/70/14/24/607701424.db2.gz YMUHIDXARNMREZ-UHFFFAOYSA-N 1 0 398.433 2.912 20 0 GFADRO O=C([O-])CCC[NH+]1CCC([NH2+]C2CCN(Cc3ccc(F)cc3)CC2)CC1 ZINC000833772865 605219275 /nfs/dbraw/zinc/21/92/75/605219275.db2.gz DCCJRRCXFZJHLX-UHFFFAOYSA-N 1 0 377.504 2.709 20 0 GFADRO O=C([O-])CCC[NH+]1CCC(NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)CC1 ZINC000833773835 605223932 /nfs/dbraw/zinc/22/39/32/605223932.db2.gz SZEYCMIAQHRGFV-KRWDZBQOSA-N 1 0 379.570 2.879 20 0 GFADRO O=C([O-])CCC[NH+]1CCC([NH2+]CCc2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000833774098 605226581 /nfs/dbraw/zinc/22/65/81/605226581.db2.gz XMIXALQQTVSTEB-UHFFFAOYSA-N 1 0 392.887 2.851 20 0 GFADRO c1cc(COC2CCOCC2)ccc1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC000826516661 607752296 /nfs/dbraw/zinc/75/22/96/607752296.db2.gz VGCYMAVLZRUDCA-UHFFFAOYSA-N 1 0 379.464 2.852 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)c2ccc(-c3nn[nH]n3)s2)CC[N@@H+]1Cc1ccccc1 ZINC000820658048 606187796 /nfs/dbraw/zinc/18/77/96/606187796.db2.gz OYSIAVGYNSIQQR-HIFRSBDPSA-N 1 0 382.493 2.711 20 0 GFADRO CC[C@H](C)[C@H]1CCCC[N@@H+]1CCS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000820859608 606189609 /nfs/dbraw/zinc/18/96/09/606189609.db2.gz GCXNXTYFJFGYCN-WMLDXEAASA-N 1 0 377.514 2.541 20 0 GFADRO COc1ccccc1-c1noc([C@H](C)NCc2cc(-c3nn[nH]n3)cs2)n1 ZINC000821882989 606223519 /nfs/dbraw/zinc/22/35/19/606223519.db2.gz PGMMYASWHWQSBX-JTQLQIEISA-N 1 0 383.437 2.838 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)c2cc(-c3nn[nH]n3)cn2C)cc1 ZINC000820705672 606230817 /nfs/dbraw/zinc/23/08/17/606230817.db2.gz WFGDHINVHNJOMR-CQSZACIVSA-N 1 0 379.468 2.832 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)Nc1ccc(F)cc1-c1nn[nH]n1)c1ccc(F)cc1 ZINC000821579832 606352780 /nfs/dbraw/zinc/35/27/80/606352780.db2.gz PTLVBJYCWXCVTF-INIZCTEOSA-N 1 0 387.394 2.569 20 0 GFADRO O=C(NC[C@H]1CCC[N@@H+](Cc2ccc(F)cc2-c2nn[nH]n2)C1)c1ccccc1 ZINC000823176396 606379232 /nfs/dbraw/zinc/37/92/32/606379232.db2.gz STVZYUJWSSQJEY-OAHLLOKOSA-N 1 0 394.454 2.648 20 0 GFADRO CC(C)(C)OC(=O)NCC1([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CCCC1 ZINC000819940254 606417904 /nfs/dbraw/zinc/41/79/04/606417904.db2.gz UNKIJJIBTZAFOG-UHFFFAOYSA-N 1 0 378.502 2.855 20 0 GFADRO O=C(OCC1CC[NH+](Cc2ccccc2)CC1)c1cc(-c2nn[nH]n2)cs1 ZINC000823400481 606464193 /nfs/dbraw/zinc/46/41/93/606464193.db2.gz DGKDQTPVUMDFEQ-UHFFFAOYSA-N 1 0 383.477 2.997 20 0 GFADRO FC(F)Oc1cc(-c2nn[nH]n2)ccc1CN1CC[NH+](C2CCCC2)CC1 ZINC000822731889 606482419 /nfs/dbraw/zinc/48/24/19/606482419.db2.gz DMOZGNCHEDFMEB-UHFFFAOYSA-N 1 0 378.427 2.528 20 0 GFADRO COc1cc(OC)cc(OCCC[NH2+]Cc2cc(-c3nn[nH]n3)cs2)c1 ZINC000821724136 606635167 /nfs/dbraw/zinc/63/51/67/606635167.db2.gz QYFZWBCIRQQBKL-UHFFFAOYSA-N 1 0 375.454 2.504 20 0 GFADRO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)c1ccc(-c2nn[nH]n2)s1 ZINC000820758728 606748228 /nfs/dbraw/zinc/74/82/28/606748228.db2.gz CGGKCDIHHUSNGD-ZIAGYGMSSA-N 1 0 396.520 2.815 20 0 GFADRO CC(C)c1cccc(C(=O)N(CC[NH+](C)C)Cc2cccc(-c3nn[nH]n3)c2)n1 ZINC000820191971 606801142 /nfs/dbraw/zinc/80/11/42/606801142.db2.gz CGZPVPBNRKWZMS-UHFFFAOYSA-N 1 0 393.495 2.589 20 0 GFADRO C[C@H]1CN(c2c(-c3nn[nH]n3)cnc3c(F)ccc(Cl)c32)C[C@@H]1[NH+](C)C ZINC000820768012 606804262 /nfs/dbraw/zinc/80/42/62/606804262.db2.gz LEEYFSISJFMTFV-ZANVPECISA-N 1 0 375.839 2.594 20 0 GFADRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)N(Cc2ccc(-c3nn[nH]n3)cc2)C2CC2)C1 ZINC000820092504 606838741 /nfs/dbraw/zinc/83/87/41/606838741.db2.gz MWISYUAMLFQHNJ-QGZVFWFLSA-N 1 0 397.527 2.519 20 0 GFADRO COc1ccc(OC)c(C[N@H+](C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)C2CC2)c1 ZINC000821842593 606853164 /nfs/dbraw/zinc/85/31/64/606853164.db2.gz SSUXXDCENUWCPQ-IBGZPJMESA-N 1 0 395.463 2.582 20 0 GFADRO O[C@@H](C[NH2+]CCc1ccc(OC(F)(F)F)cc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823682805 606855168 /nfs/dbraw/zinc/85/51/68/606855168.db2.gz UTJBWKHRNMZOPK-INIZCTEOSA-N 1 0 393.369 2.631 20 0 GFADRO c1ccc(N2C[C@@H]3C[NH+](CCCOc4cccc(-c5nn[nH]n5)c4)C[C@H]3C2)cc1 ZINC000823787268 606888549 /nfs/dbraw/zinc/88/85/49/606888549.db2.gz JVZGMJVUFUOFQM-OALUTQOASA-N 1 0 390.491 2.704 20 0 GFADRO COc1cc(C[N@H+](C)C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)ccc1SC ZINC000821713459 606890204 /nfs/dbraw/zinc/89/02/04/606890204.db2.gz YYYPGGPLYUCXJQ-MRXNPFEDSA-N 1 0 385.493 2.763 20 0 GFADRO O[C@H](C[NH+]1CCC(Cc2ccc(F)cc2)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823673288 606892250 /nfs/dbraw/zinc/89/22/50/606892250.db2.gz JZMPUSOFKBUPMT-HXUWFJFHSA-N 1 0 381.455 2.994 20 0 GFADRO O[C@H](C[N@@H+]1CCC[C@H]1c1cccc2c1OCCO2)c1ccc(-c2nn[nH]n2)cc1 ZINC000823681574 606893717 /nfs/dbraw/zinc/89/37/17/606893717.db2.gz GWOZOAGVCJGXFF-ZWKOTPCHSA-N 1 0 393.447 2.508 20 0 GFADRO Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1CCCOc1cccc(-c2nn[nH]n2)c1 ZINC000822486537 606895798 /nfs/dbraw/zinc/89/57/98/606895798.db2.gz NJSZIFKDUWJXDR-GOSISDBHSA-N 1 0 381.484 2.823 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)Nc2ccc(F)c(-c3nn[nH]n3)c2)C[N@@H+]1Cc1ccccc1 ZINC000820656875 606907446 /nfs/dbraw/zinc/90/74/46/606907446.db2.gz HXXCSESCYJFIBM-CZUORRHYSA-N 1 0 395.442 2.790 20 0 GFADRO C[N@H+](CCCOc1cccc(-c2nn[nH]n2)c1)Cc1ccc([S@](C)=O)cc1 ZINC000821600444 606909546 /nfs/dbraw/zinc/90/95/46/606909546.db2.gz MXOHSBLKAHPSAD-MHZLTWQESA-N 1 0 385.493 2.505 20 0 GFADRO O[C@@H](C[N@H+](Cc1ccccc1)CC1(O)CCCC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823673672 606914487 /nfs/dbraw/zinc/91/44/87/606914487.db2.gz MAOXPAKCPFEWJG-FQEVSTJZSA-N 1 0 393.491 2.707 20 0 GFADRO CCc1nnc(NC[C@@H](c2ccc(C)cc2)[NH+](C)C)c(-c2nn[nH]n2)c1CC ZINC000821536357 606924417 /nfs/dbraw/zinc/92/44/17/606924417.db2.gz UGFCIFHVINAGSP-KRWDZBQOSA-N 1 0 380.500 2.805 20 0 GFADRO c1cnn(C[C@@H]([NH2+]CCCOc2cccc(-c3nn[nH]n3)c2)c2ccccc2)c1 ZINC000823774044 606928874 /nfs/dbraw/zinc/92/88/74/606928874.db2.gz YBWOEVOBASFHGC-HXUWFJFHSA-N 1 0 389.463 2.863 20 0 GFADRO CC(C)C[N@H+](CCCS(=O)(=O)C(C)C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000820086832 606964935 /nfs/dbraw/zinc/96/49/35/606964935.db2.gz GSEGEDJFYPJHEL-UHFFFAOYSA-N 1 0 379.530 2.538 20 0 GFADRO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC000820384357 606983386 /nfs/dbraw/zinc/98/33/86/606983386.db2.gz CICLJUSZQYLRRY-YOEHRIQHSA-N 1 0 386.500 2.992 20 0 GFADRO C[N@@H+]1CCC[C@H]2CN(c3c(-c4nn[nH]n4)cnc4c(F)ccc(F)c43)CC[C@@H]21 ZINC000821625757 607030821 /nfs/dbraw/zinc/03/08/21/607030821.db2.gz VHYYTYGLMCVVKR-NHYWBVRUSA-N 1 0 385.422 2.614 20 0 GFADRO FC(F)(F)c1ccc(-c2nn[nH]n2)c(N2CC[NH+](C3CCCCC3)CC2)n1 ZINC000822724093 607037081 /nfs/dbraw/zinc/03/70/81/607037081.db2.gz YYNBRIFGTRAKEZ-UHFFFAOYSA-N 1 0 381.406 2.735 20 0 GFADRO C[C@H]([NH2+]C1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1)c1cc(F)ccc1F ZINC000820410782 607045939 /nfs/dbraw/zinc/04/59/39/607045939.db2.gz GSKNCZJBULVMNZ-LBPRGKRZSA-N 1 0 385.422 2.860 20 0 GFADRO C[C@@H]([NH2+]C1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1)c1ccnc(Cl)c1 ZINC000820420525 607046584 /nfs/dbraw/zinc/04/65/84/607046584.db2.gz SJJGMFWKYPERDN-GFCCVEGCSA-N 1 0 384.875 2.630 20 0 GFADRO COc1cc(C)ccc1[C@H](C)[NH2+]C1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1 ZINC000821708177 607048153 /nfs/dbraw/zinc/04/81/53/607048153.db2.gz LJDIKRUVYAZOSB-HNNXBMFYSA-N 1 0 393.495 2.898 20 0 GFADRO COc1ccc(NC(=O)C[C@H](C)[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)cc1 ZINC000821831905 607059455 /nfs/dbraw/zinc/05/94/55/607059455.db2.gz RORHPHYHSCQCEX-LBPRGKRZSA-N 1 0 384.415 2.521 20 0 GFADRO C[C@@H]1C[N@H+](Cc2cc(F)ccc2-c2nn[nH]n2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000820760321 607068081 /nfs/dbraw/zinc/06/80/81/607068081.db2.gz QAVUTFCUDGVYHG-MLGOLLRUSA-N 1 0 390.463 2.741 20 0 GFADRO O=C(OCc1cc(F)ccc1-c1nn[nH]n1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000823414508 607084997 /nfs/dbraw/zinc/08/49/97/607084997.db2.gz XYUPVDJQXRLVFE-INIZCTEOSA-N 1 0 395.438 2.961 20 0 GFADRO CC(C)CO[C@H]1CC[N@H+](CCC(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)C1 ZINC000820096332 607089997 /nfs/dbraw/zinc/08/99/97/607089997.db2.gz ACELNWDIWZAWSM-AWEZNQCLSA-N 1 0 392.891 2.596 20 0 GFADRO CC[C@@H](CSc1ccccc1)[NH2+][C@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000825128265 607784716 /nfs/dbraw/zinc/78/47/16/607784716.db2.gz SIDUWKAKXGIMOH-RDJZCZTQSA-N 1 0 382.493 2.554 20 0 GFADRO CC(C)CC[C@H]1CCCC[N@@H+]1CCS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000824245273 607816070 /nfs/dbraw/zinc/81/60/70/607816070.db2.gz XFKINSRZNJSTIM-QGZVFWFLSA-N 1 0 391.541 2.931 20 0 GFADRO CC[N@@H+]1CCN(c2c(-c3nn[nH]n3)cnc3ccc(OC(F)F)cc32)C[C@H]1C ZINC000825465816 607821992 /nfs/dbraw/zinc/82/19/92/607821992.db2.gz RIGNSAYUBIOFCE-LLVKDONJSA-N 1 0 389.410 2.547 20 0 GFADRO CC(C)(C)C[C@@H]1CCC[N@@H+]1CCS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000824085126 607827653 /nfs/dbraw/zinc/82/76/53/607827653.db2.gz BXTGUURWLVHQOA-HNNXBMFYSA-N 1 0 377.514 2.541 20 0 GFADRO C[C@@H]([NH2+]C[C@H]1CC(=O)N(Cc2ccccc2)C1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824577126 607983444 /nfs/dbraw/zinc/98/34/44/607983444.db2.gz GXPBINBOBVKQBJ-NVXWUHKLSA-N 1 0 376.464 2.566 20 0 GFADRO CC[C@H](CC1CCCCC1)C(=O)Nc1n[nH]c(CCC[NH2+]C)c1-c1nn[nH]n1 ZINC000825114139 608021084 /nfs/dbraw/zinc/02/10/84/608021084.db2.gz JYNIGKIIWVZXRX-CQSZACIVSA-N 1 0 388.520 2.677 20 0 GFADRO C[C@H](c1cccc2ccccc21)[N@H+](C)CCCc1[nH]nc(N)c1-c1nn[nH]n1 ZINC000824769750 608035007 /nfs/dbraw/zinc/03/50/07/608035007.db2.gz ARDLUBMQOHUYHQ-CYBMUJFWSA-N 1 0 376.468 2.951 20 0 GFADRO O=C(CC[N@@H+]1CCCSCC1)Nc1sc2c(c1-c1nn[nH]n1)CCCC2 ZINC000826407343 608040428 /nfs/dbraw/zinc/04/04/28/608040428.db2.gz JSVHUUTZAOTTNB-UHFFFAOYSA-N 1 0 392.554 2.575 20 0 GFADRO COc1ccc([C@@](C)(O)[C@@H]2CCC[N@@H+]2Cc2cccc(-c3nn[nH]n3)c2)cc1 ZINC000826188383 608064622 /nfs/dbraw/zinc/06/46/22/608064622.db2.gz VSUMWPOIYFIPJF-PZJWPPBQSA-N 1 0 379.464 2.747 20 0 GFADRO O=C1[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CCN1c1ccc(Cl)c(F)c1 ZINC000826476111 608114415 /nfs/dbraw/zinc/11/44/15/608114415.db2.gz AXSMXAFLADGAOJ-ZDUSSCGKSA-N 1 0 392.847 2.616 20 0 GFADRO Cc1ccc([C@@H]2CC[N@@H+]([C@H](C)C(=O)Nc3ccccc3-c3nn[nH]n3)C2)cc1 ZINC000826286095 608126689 /nfs/dbraw/zinc/12/66/89/608126689.db2.gz RXVNQUSMPBLQSY-NVXWUHKLSA-N 1 0 376.464 2.992 20 0 GFADRO Cc1cccc([C@H]2CC[N@@H+]([C@H](C)C(=O)Nc3cccc(-c4nn[nH]n4)c3)C2)c1 ZINC000826297429 608127502 /nfs/dbraw/zinc/12/75/02/608127502.db2.gz HNMUQLYBRKKKEL-QAPCUYQASA-N 1 0 376.464 2.992 20 0 GFADRO Cc1ccc([C@H]2CC[N@@H+]([C@H]3CCN(c4ccc(-c5nn[nH]n5)cc4)C3=O)C2)cc1 ZINC000826285775 608127902 /nfs/dbraw/zinc/12/79/02/608127902.db2.gz JNZBJRQLNUVTLR-ICSRJNTNSA-N 1 0 388.475 2.770 20 0 GFADRO C[C@@H](C[N@H+](C)[C@@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O)c1nccs1 ZINC000824413469 608132783 /nfs/dbraw/zinc/13/27/83/608132783.db2.gz LTQPUHPUJQOTSZ-XJKSGUPXSA-N 1 0 397.508 2.554 20 0 GFADRO CC[N@H+](CCc1ccccc1)[C@H]1CCN(c2sccc2-c2nn[nH]n2)C1=O ZINC000825424424 608153265 /nfs/dbraw/zinc/15/32/65/608153265.db2.gz GSJRZZUIZHZHRZ-INIZCTEOSA-N 1 0 382.493 2.598 20 0 GFADRO C[NH+](C)C1CN(C(=O)c2cccc(Oc3cccc(Cl)c3-c3nn[nH]n3)c2)C1 ZINC000825854515 608209798 /nfs/dbraw/zinc/20/97/98/608209798.db2.gz CJDJYIFNWOEOHI-UHFFFAOYSA-N 1 0 398.854 2.698 20 0 GFADRO CC[NH+](CC)CCNC(=O)NCc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000825411928 608342573 /nfs/dbraw/zinc/34/25/73/608342573.db2.gz IAUYLFHMADQBLV-UHFFFAOYSA-N 1 0 393.495 2.675 20 0 GFADRO COc1cc(-c2nn[nH]n2)ccc1C[N@@H+]1CC[C@H](CNc2cccc(C)n2)C1 ZINC000826168656 608364422 /nfs/dbraw/zinc/36/44/22/608364422.db2.gz UKJGNCRKZWGUPH-OAHLLOKOSA-N 1 0 379.468 2.513 20 0 GFADRO C[C@H]1C[C@H](CNC(=O)OC(C)(C)C)C[N@@H+]1Cc1cccc(-c2nn[nH]n2)c1F ZINC000824886436 608412699 /nfs/dbraw/zinc/41/26/99/608412699.db2.gz YZLUEQBFKLCVPZ-QWHCGFSZSA-N 1 0 390.463 2.741 20 0 GFADRO C[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)C[N@@H+]1Cc1cccc(-c2nn[nH]n2)c1F ZINC000824886435 608413087 /nfs/dbraw/zinc/41/30/87/608413087.db2.gz YZLUEQBFKLCVPZ-OLZOCXBDSA-N 1 0 390.463 2.741 20 0 GFADRO CC[C@@H]([NH2+]CC(=O)NCc1ccc(-c2nn[nH]n2)cc1)c1cccc(Cl)c1 ZINC000825141456 608435232 /nfs/dbraw/zinc/43/52/32/608435232.db2.gz OUUGCHICMCJEEO-QGZVFWFLSA-N 1 0 384.871 2.877 20 0 GFADRO c1ccc([C@H]2C[C@@H]2C[NH2+]C2CCN(c3ccc(-c4nn[nH]n4)cn3)CC2)cc1 ZINC000826520830 608449055 /nfs/dbraw/zinc/44/90/55/608449055.db2.gz SIOWGXXBLDFFPY-IEBWSBKVSA-N 1 0 375.480 2.624 20 0 GFADRO CC(C)Oc1cccc([C@H](C)[NH2+]CC(=O)Nc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000824332985 608454392 /nfs/dbraw/zinc/45/43/92/608454392.db2.gz BYQLBWKOGPAWMD-AWEZNQCLSA-N 1 0 380.452 2.943 20 0 GFADRO C[C@H]([NH2+]CCOc1ccccc1-c1nn[nH]n1)c1ccc(NC(=O)C2CC2)cc1 ZINC000824599301 608457775 /nfs/dbraw/zinc/45/77/75/608457775.db2.gz ODKZEFLGYDQRHA-AWEZNQCLSA-N 1 0 392.463 2.945 20 0 GFADRO COc1ccc(F)cc1[C@@H](C)[NH2+]CCC(=O)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000826209144 608460017 /nfs/dbraw/zinc/46/00/17/608460017.db2.gz ORFPZGUVIMEEBV-GFCCVEGCSA-N 1 0 384.415 2.694 20 0 GFADRO C[C@H]([NH2+]CCOc1ccccc1-c1nn[nH]n1)c1cccc(N2CCCC2=O)c1 ZINC000824600242 608475950 /nfs/dbraw/zinc/47/59/50/608475950.db2.gz YPHNCTBMPYORSM-HNNXBMFYSA-N 1 0 392.463 2.723 20 0 GFADRO COc1cc(-c2nn[nH]n2)ccc1C[NH2+][C@@H](C)c1ccc(N2CCCC2=O)cc1 ZINC000826170358 608476623 /nfs/dbraw/zinc/47/66/23/608476623.db2.gz XSRZCNKTXXVEKM-AWEZNQCLSA-N 1 0 392.463 2.853 20 0 GFADRO Cc1ccc(C)c(OC[C@@H](O)C[NH2+][C@@H](C)c2cccc(-c3nn[nH]n3)c2)c1C ZINC000826284773 608481640 /nfs/dbraw/zinc/48/16/40/608481640.db2.gz FDXXTKAKBXPUKI-LPHOPBHVSA-N 1 0 381.480 2.882 20 0 GFADRO C[C@@H]([NH2+]CC(=O)N[C@H](c1ccccc1)C1CC1)c1cccc(-c2nn[nH]n2)c1 ZINC000824554720 608484344 /nfs/dbraw/zinc/48/43/44/608484344.db2.gz RIACSQYXJTXXCT-JLTOFOAXSA-N 1 0 376.464 2.785 20 0 GFADRO COc1ccccc1[C@@H](C)N(C)C(=O)C[NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1 ZINC000826219132 608488685 /nfs/dbraw/zinc/48/86/85/608488685.db2.gz UGTKVDQNVPZTBA-LSDHHAIUSA-N 1 0 394.479 2.746 20 0 GFADRO CCc1ccc([C@@H](C)NC(=O)C[NH2+][C@@H](C)c2cccc(-c3nn[nH]n3)c2)cc1 ZINC000825705175 608492907 /nfs/dbraw/zinc/49/29/07/608492907.db2.gz XYEKPLXAXTYPNU-LSDHHAIUSA-N 1 0 378.480 2.957 20 0 GFADRO CS(=O)(=O)Cc1ccc(C[NH2+][C@H]2CCCc3cc(-c4nn[nH]n4)ccc32)cc1 ZINC000826222761 608502046 /nfs/dbraw/zinc/50/20/46/608502046.db2.gz LWIIPADUILGIIJ-IBGZPJMESA-N 1 0 397.504 2.579 20 0 GFADRO CS(=O)(=O)Cc1cccc(C[NH2+][C@H]2CCCc3cc(-c4nn[nH]n4)ccc32)c1 ZINC000826222745 608507701 /nfs/dbraw/zinc/50/77/01/608507701.db2.gz LBITWNKAGASJPP-IBGZPJMESA-N 1 0 397.504 2.579 20 0 GFADRO Cc1ccc(N2CCC[C@H]([NH2+][C@H]3CCCc4cc(-c5nn[nH]n5)ccc43)C2)nn1 ZINC000826290524 608519998 /nfs/dbraw/zinc/51/99/98/608519998.db2.gz PENCNYWYKAFBMO-HKUYNNGSSA-N 1 0 390.495 2.601 20 0 GFADRO O=C(NCCC[NH2+][C@@H]1CCCc2cc(-c3nn[nH]n3)ccc21)c1cccs1 ZINC000826436627 608522099 /nfs/dbraw/zinc/52/20/99/608522099.db2.gz BELJPOKXYSOCSY-MRXNPFEDSA-N 1 0 382.493 2.715 20 0 GFADRO O[C@H](C[NH2+]C1(c2ccc(Cl)cc2)CC1)COc1ccc(-c2nn[nH]n2)cc1 ZINC000826503021 608525085 /nfs/dbraw/zinc/52/50/85/608525085.db2.gz OQYXDEUUQRTDMS-MRXNPFEDSA-N 1 0 385.855 2.539 20 0 GFADRO O[C@H](C[NH2+][C@H](CC1CC1)c1ccccc1)COc1ccc(-c2nn[nH]n2)cc1 ZINC000826502281 608528203 /nfs/dbraw/zinc/52/82/03/608528203.db2.gz AMEYIMIGHGELHF-UYAOXDASSA-N 1 0 379.464 2.737 20 0 GFADRO CC[C@@H]([NH2+]C[C@@H](O)COc1ccc(-c2nn[nH]n2)cc1)c1cc(F)ccc1F ZINC000825139036 608536324 /nfs/dbraw/zinc/53/63/24/608536324.db2.gz AGYGQOLMVNUXKP-RDTXWAMCSA-N 1 0 389.406 2.626 20 0 GFADRO CCC[N@H+](Cc1cnc(N2CCOCC2)s1)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000825323123 608545846 /nfs/dbraw/zinc/54/58/46/608545846.db2.gz OYCHWBAHQLDORF-UHFFFAOYSA-N 1 0 399.524 2.572 20 0 GFADRO CC[N@H+](Cc1cnc(N2CCCC2)nc1)[C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000825444772 608550530 /nfs/dbraw/zinc/55/05/30/608550530.db2.gz QRTYTLSQFZKKQF-HNNXBMFYSA-N 1 0 378.484 2.840 20 0 GFADRO O=C(C[NH2+][C@@H](C[C@@H]1CCOC1)c1ccccc1)Nc1cccc(-c2nn[nH]n2)c1 ZINC000826412364 608551623 /nfs/dbraw/zinc/55/16/23/608551623.db2.gz LJCNGEIGWMNOKA-KXBFYZLASA-N 1 0 392.463 2.563 20 0 GFADRO C[C@H]([NH2+]CC(=O)Nc1sccc1-c1nn[nH]n1)c1cccc(N2CCCC2)c1 ZINC000824564086 608554790 /nfs/dbraw/zinc/55/47/90/608554790.db2.gz RKXRLPBFTCZFSK-ZDUSSCGKSA-N 1 0 397.508 2.818 20 0 GFADRO COC(=O)C(C)(C)[C@H]([NH2+]Cc1ccc(-c2nn[nH]n2)cc1OC)c1ccccc1 ZINC000826098515 608555187 /nfs/dbraw/zinc/55/51/87/608555187.db2.gz HEDDDISKWAHHCU-GOSISDBHSA-N 1 0 395.463 2.905 20 0 GFADRO COc1ccc(C[NH2+]C2CCC(C(=O)OC(C)(C)C)CC2)cc1-c1nn[nH]n1 ZINC000826201856 608567584 /nfs/dbraw/zinc/56/75/84/608567584.db2.gz GTSVPRMWJFRTGB-UHFFFAOYSA-N 1 0 387.484 2.865 20 0 GFADRO Clc1ccc(C[NH2+]C2CCC(Oc3ccc(-c4nn[nH]n4)cn3)CC2)cn1 ZINC000826352355 608570474 /nfs/dbraw/zinc/57/04/74/608570474.db2.gz XYBRIGKXUNJYMJ-UHFFFAOYSA-N 1 0 385.859 2.790 20 0 GFADRO CCOC(=O)C(F)(F)[C@H]1CCC[C@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC000825494650 608579525 /nfs/dbraw/zinc/57/95/25/608579525.db2.gz ZLTQCBYPTRBPRF-KBPBESRZSA-N 1 0 397.401 2.853 20 0 GFADRO O=C(C1CC[NH+](Cc2ccc(-c3nn[nH]n3)s2)CC1)N1CCc2ccccc21 ZINC000826398778 608637085 /nfs/dbraw/zinc/63/70/85/608637085.db2.gz FVFFWKLYHPYOQO-UHFFFAOYSA-N 1 0 394.504 2.730 20 0 GFADRO c1cc(-c2nn[nH]n2)oc1CN1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000826521125 608697217 /nfs/dbraw/zinc/69/72/17/608697217.db2.gz AEZPDHJBIOZTCY-NRFANRHFSA-N 1 0 378.480 2.948 20 0 GFADRO COc1ccc(C[C@H](C)C[N@H+](C)Cc2cnc3ccc(-c4nn[nH]n4)cn23)cc1 ZINC000826191651 608740280 /nfs/dbraw/zinc/74/02/80/608740280.db2.gz MEHYPMXYSWMVRQ-HNNXBMFYSA-N 1 0 391.479 2.834 20 0 GFADRO C[C@@H]([NH2+]C1CCN(C(=O)c2ccccc2)CC1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824548352 609136269 /nfs/dbraw/zinc/13/62/69/609136269.db2.gz WIYPPUSUGZSSOP-CQSZACIVSA-N 1 0 394.454 2.961 20 0 GFADRO C[C@@H]([NH2+]CCNC(=O)c1ccc(Cl)cc1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824598353 609138591 /nfs/dbraw/zinc/13/85/91/609138591.db2.gz DYXKLZAHVGANMM-LLVKDONJSA-N 1 0 388.834 2.740 20 0 GFADRO CC[C@@H]1CN(C(=O)C(C)C)CC[C@H]1[NH2+][C@H](C)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000825204463 609148762 /nfs/dbraw/zinc/14/87/62/609148762.db2.gz RBTAKTCFFYTSNL-HBUWYVDXSA-N 1 0 388.491 2.940 20 0 GFADRO C[C@@H](CNC(=O)OC(C)(C)C)C[NH2+][C@@H](C)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824419617 609152317 /nfs/dbraw/zinc/15/23/17/609152317.db2.gz ARJORYJOTNXJDR-NEPJUHHUSA-N 1 0 378.452 2.817 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O)c1ccc(Cl)nc1 ZINC000824545379 609168897 /nfs/dbraw/zinc/16/88/97/609168897.db2.gz CGBCFLYGIORTSJ-BLLLJJGKSA-N 1 0 397.870 2.761 20 0 GFADRO Cc1ccc(NC2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)c(N(C)C)n1 ZINC000826291808 609253866 /nfs/dbraw/zinc/25/38/66/609253866.db2.gz WTDQTBRIFDNXOL-UHFFFAOYSA-N 1 0 392.511 2.713 20 0 GFADRO C[N@H+](CCC(=O)Nc1cccc(-c2nn[nH]n2)c1)Cc1cc(F)c(F)c(F)c1 ZINC000825914605 609282904 /nfs/dbraw/zinc/28/29/04/609282904.db2.gz LGLVBMKEBSRGJB-UHFFFAOYSA-N 1 0 390.369 2.745 20 0 GFADRO COc1cccc([C@H]2[C@@H](Nc3ncccc3-c3nn[nH]n3)CC[N@@H+]2C2CC2)c1 ZINC000826215018 609323015 /nfs/dbraw/zinc/32/30/15/609323015.db2.gz DJHRIXAFYYGBLK-ROUUACIJSA-N 1 0 377.452 2.660 20 0 GFADRO CCC(CC)[C@@H](C[NH2+][C@H](C)c1ccc(-c2nn[nH]n2)cc1F)N1CCOCC1 ZINC000825094713 609326438 /nfs/dbraw/zinc/32/64/38/609326438.db2.gz AMRWBLZAWPVYIM-AUUYWEPGSA-N 1 0 390.507 2.793 20 0 GFADRO Cn1cc(CNc2cccc(C[NH+](C)C)c2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000825870113 609337427 /nfs/dbraw/zinc/33/74/27/609337427.db2.gz AFFAEANNWQQSPX-UHFFFAOYSA-N 1 0 388.479 2.941 20 0 GFADRO C[C@H](CC[NH2+][C@H](C)c1ccc(-c2nn[nH]n2)cc1F)NC(=O)OC(C)(C)C ZINC000824402654 609340468 /nfs/dbraw/zinc/34/04/68/609340468.db2.gz XOVOEAUFRRQHRA-VXGBXAGGSA-N 1 0 378.452 2.960 20 0 GFADRO C[C@H]([NH2+]CCCC(=O)N1Cc2ccccc2C1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824585983 609340999 /nfs/dbraw/zinc/34/09/99/609340999.db2.gz VRPBMRYWOPLXGG-AWEZNQCLSA-N 1 0 394.454 2.979 20 0 GFADRO CC[C@@H](O)[C@@H]1CCCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1Br ZINC000825154856 609361983 /nfs/dbraw/zinc/36/19/83/609361983.db2.gz UUCHYVNRDVIPTA-LSDHHAIUSA-N 1 0 380.290 2.755 20 0 GFADRO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccc(-c2nn[nH]n2)cc1Br ZINC000825218194 609366268 /nfs/dbraw/zinc/36/62/68/609366268.db2.gz CFRDGSWDFWTVQL-LSDHHAIUSA-N 1 0 391.317 2.688 20 0 GFADRO CN(C(=O)c1ccccc1Oc1ccccc1-c1nn[nH]n1)[C@H]1CCC[N@H+](C)C1 ZINC000826028576 609386775 /nfs/dbraw/zinc/38/67/75/609386775.db2.gz CPOBUIRHEQAYFS-HNNXBMFYSA-N 1 0 392.463 2.825 20 0 GFADRO O[C@H]1CC[N@H+](Cc2ccccc2CNc2ccc(Cl)cc2-c2nn[nH]n2)C1 ZINC000826507532 609388474 /nfs/dbraw/zinc/38/84/74/609388474.db2.gz QFVPVKTVJNSUIE-INIZCTEOSA-N 1 0 384.871 2.699 20 0 GFADRO Cc1ccc(C[NH2+][C@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)c(C)c1 ZINC000826288475 609413486 /nfs/dbraw/zinc/41/34/86/609413486.db2.gz IPUSTICFXMYPGL-IBGZPJMESA-N 1 0 376.464 2.769 20 0 GFADRO Cc1ccc2c(c1)CC[C@H]2[NH2+][C@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000826294173 609415079 /nfs/dbraw/zinc/41/50/79/609415079.db2.gz LBAGAMYXOJRGJR-UXHICEINSA-N 1 0 388.475 2.948 20 0 GFADRO Cc1cc(C[NH2+][C@@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)c(C)s1 ZINC000826267049 609417430 /nfs/dbraw/zinc/41/74/30/609417430.db2.gz NBIMWJSHTQZYBD-QGZVFWFLSA-N 1 0 382.493 2.830 20 0 GFADRO OC[C@@H]([NH2+]CCOc1cccc(-c2nn[nH]n2)c1)c1ccc(C(F)(F)F)cc1 ZINC000826508522 609429388 /nfs/dbraw/zinc/42/93/88/609429388.db2.gz RZEFBDULUJSWIR-MRXNPFEDSA-N 1 0 393.369 2.588 20 0 GFADRO OC[C@H]([NH2+]CCOc1cccc(-c2nn[nH]n2)c1)c1ccc(C(F)(F)F)cc1 ZINC000826508521 609429701 /nfs/dbraw/zinc/42/97/01/609429701.db2.gz RZEFBDULUJSWIR-INIZCTEOSA-N 1 0 393.369 2.588 20 0 GFADRO C[C@@H](NC(=O)c1sccc1-c1nn[nH]n1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000824522711 609456139 /nfs/dbraw/zinc/45/61/39/609456139.db2.gz USHFVBDVQPMRGT-UKRRQHHQSA-N 1 0 382.493 2.569 20 0 GFADRO COc1ccc([C@@H](C[NH+]2CCCC2)NC(=O)c2ccc(-c3nn[nH]n3)s2)cc1 ZINC000826189177 609469006 /nfs/dbraw/zinc/46/90/06/609469006.db2.gz OYNBLPIZFXETHX-OAHLLOKOSA-N 1 0 398.492 2.504 20 0 GFADRO Cc1c(Cl)cnc(N2CC[NH+](CCc3cccs3)CC2)c1-c1nn[nH]n1 ZINC000826237521 609539864 /nfs/dbraw/zinc/53/98/64/609539864.db2.gz CIXQBIYDBGPZMU-UHFFFAOYSA-N 1 0 389.916 2.650 20 0 GFADRO Cc1c(Cl)cnc(N(C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1-c1nn[nH]n1 ZINC000826236780 609576036 /nfs/dbraw/zinc/57/60/36/609576036.db2.gz BZTUXQASKCIEFG-OAHLLOKOSA-N 1 0 383.887 2.934 20 0 GFADRO Cc1ccc(F)c(C[NH2+][C@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)c1 ZINC000826289425 609600365 /nfs/dbraw/zinc/60/03/65/609600365.db2.gz ZRWFPTTYDRMLCM-SFHVURJKSA-N 1 0 380.427 2.599 20 0 GFADRO CC(=O)N[C@@H]1CC[N@H+](C[C@](C)(O)c2ccc(Br)cc2Cl)C1 ZINC000817281227 660188859 /nfs/dbraw/zinc/18/88/59/660188859.db2.gz RZVQYEGIEIPQRP-DOMZBBRYSA-N 1 0 375.694 2.520 20 0 GFADRO C[NH+](C)[C@]1(CNC(=O)Nc2nnc(/C=C\c3ccco3)s2)CCSC1 ZINC000486889892 650724817 /nfs/dbraw/zinc/72/48/17/650724817.db2.gz BWJOMCUHHZBJLQ-KJPDOMRESA-N 1 0 379.511 2.860 20 0 GFADRO COC1([C@@H](C)[NH2+]C[C@H](O)c2ccc(F)c(Br)c2)CCOCC1 ZINC000817296415 660189496 /nfs/dbraw/zinc/18/94/96/660189496.db2.gz ICCCXEKVXMXXQT-ABAIWWIYSA-N 1 0 376.266 2.795 20 0 GFADRO CN(C)C(=O)[C@@H]1CC[C@H](C[NH2+][C@@H](c2nc(Br)cs2)C2CC2)O1 ZINC000817580496 660201511 /nfs/dbraw/zinc/20/15/11/660201511.db2.gz LFDPKOBVQSZRKZ-NTZNESFSSA-N 1 0 388.331 2.582 20 0 GFADRO C[NH+](C)C1CCC(NC(=O)c2cn(-c3ccccc3Br)nn2)CC1 ZINC000817483891 660198135 /nfs/dbraw/zinc/19/81/35/660198135.db2.gz MSUIBLUOUZJLFD-UHFFFAOYSA-N 1 0 392.301 2.632 20 0 GFADRO CC(C)(C(=O)N1CCn2c(Br)cnc2C1)[C@@H]([NH3+])c1ccccc1 ZINC000817999838 660213207 /nfs/dbraw/zinc/21/32/07/660213207.db2.gz XUKSYYRRCJDDLL-HNNXBMFYSA-N 1 0 377.286 2.714 20 0 GFADRO CC(C)(Sc1ccc(Br)cc1)C(=O)N1CCC(O)(C[NH3+])CC1 ZINC000818021178 660214243 /nfs/dbraw/zinc/21/42/43/660214243.db2.gz UGEJDWWGAOBXEC-UHFFFAOYSA-N 1 0 387.343 2.632 20 0 GFADRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)c3cn4c(Br)cnc4s3)C2)C1 ZINC000818176634 660218705 /nfs/dbraw/zinc/21/87/05/660218705.db2.gz IPANXCPZRSZIKV-OAHLLOKOSA-N 1 0 383.315 2.716 20 0 GFADRO CC[NH2+]CC(=O)N[C@@H](c1ccc(Cl)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000818465747 660226427 /nfs/dbraw/zinc/22/64/27/660226427.db2.gz JPQDNEOKQXSJOM-SFHVURJKSA-N 1 0 380.897 2.559 20 0 GFADRO Cc1ccc(-n2nc(Br)cc2C(=O)NCC2CC[NH2+]CC2)cc1 ZINC000818559427 660228487 /nfs/dbraw/zinc/22/84/87/660228487.db2.gz ADHJYEVICXFRFT-UHFFFAOYSA-N 1 0 377.286 2.673 20 0 GFADRO [NH3+]CCCCCCCn1cnc2c(I)cccc2c1=O ZINC000818617725 660230306 /nfs/dbraw/zinc/23/03/06/660230306.db2.gz HNTPIEHZBHPQJB-UHFFFAOYSA-N 1 0 385.249 2.910 20 0 GFADRO Cc1ccc(C(=O)NCC[NH2+]C[C@@H](O)c2ccccc2Br)cc1F ZINC000818947081 660236633 /nfs/dbraw/zinc/23/66/33/660236633.db2.gz CNDYWXUVQPAJQV-QGZVFWFLSA-N 1 0 395.272 2.950 20 0 GFADRO CC(C)(C)OC(=O)NCC[NH2+]C[C@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000818982453 660241244 /nfs/dbraw/zinc/24/12/44/660241244.db2.gz MSGUHCCCELTMSC-NSHDSACASA-N 1 0 379.284 2.847 20 0 GFADRO O=C(Cc1cccc(F)c1)NCC[NH2+]C[C@H](O)c1cccc(Br)c1 ZINC000818990842 660242178 /nfs/dbraw/zinc/24/21/78/660242178.db2.gz PXVVJHYGFNMPPY-KRWDZBQOSA-N 1 0 395.272 2.570 20 0 GFADRO O=C(C[NH2+]C[C@H](O)c1ccc(Br)cc1)N1CCc2ccccc2C1 ZINC000819003125 660242885 /nfs/dbraw/zinc/24/28/85/660242885.db2.gz SLLPWQKTUFHVFW-SFHVURJKSA-N 1 0 389.293 2.657 20 0 GFADRO CN(c1ccc(C[NH2+]C[C@H](O)c2ccc(Cl)c(F)c2)cc1)S(C)(=O)=O ZINC000819054059 660244818 /nfs/dbraw/zinc/24/48/18/660244818.db2.gz UFIMFVAQWOMLDU-KRWDZBQOSA-N 1 0 386.876 2.698 20 0 GFADRO CC(C)(C)S(=O)(=O)CC[NH2+]CCC(=O)Nc1cccc(Br)c1 ZINC000819062369 660245035 /nfs/dbraw/zinc/24/50/35/660245035.db2.gz YEIDPZSGFUNHPH-UHFFFAOYSA-N 1 0 391.331 2.581 20 0 GFADRO CNC(=O)c1cccc(CC[NH2+]C[C@@H](O)c2ccccc2Br)c1 ZINC000819096136 660246376 /nfs/dbraw/zinc/24/63/76/660246376.db2.gz XCABDGSTUWGFKP-QGZVFWFLSA-N 1 0 377.282 2.674 20 0 GFADRO Cc1cc(Br)cn2cc(CC[NH2+]C[C@@H](O)c3ccc(F)cn3)nc12 ZINC000819230096 660251194 /nfs/dbraw/zinc/25/11/94/660251194.db2.gz UXSCEFYYERFMHF-MRXNPFEDSA-N 1 0 393.260 2.805 20 0 GFADRO CC(C)(C)OC(=O)N1CC(C[NH2+]C[C@H](O)c2ccccc2Br)C1 ZINC000819197930 660249843 /nfs/dbraw/zinc/24/98/43/660249843.db2.gz OGPRPKXGOOLZLI-HNNXBMFYSA-N 1 0 385.302 2.939 20 0 GFADRO O[C@@H](C[NH2+][C@@H]1CCOc2c(Cl)c(Cl)ccc21)COC1CCOCC1 ZINC000819261175 660252354 /nfs/dbraw/zinc/25/23/54/660252354.db2.gz ARAIEDJBURLCEX-XHDPSFHLSA-N 1 0 376.280 2.963 20 0 GFADRO CC(C)(C)S(=O)(=O)N1CCC([NH2+]C[C@@H](O)c2ccc(Cl)c(F)c2)CC1 ZINC000819263258 660252498 /nfs/dbraw/zinc/25/24/98/660252498.db2.gz UDCKCQBFRWMHCD-MRXNPFEDSA-N 1 0 392.924 2.695 20 0 GFADRO C[C@](O)(C[NH2+][C@@H]1CC[C@H](C(N)=O)C1)c1ccc(Br)cc1Cl ZINC000819360924 660256859 /nfs/dbraw/zinc/25/68/59/660256859.db2.gz MHQOZSBAIKSSPT-ISOBSLSZSA-N 1 0 375.694 2.554 20 0 GFADRO O=C(N1CCCC1)N1CCC[C@H]([NH2+]C[C@H](O)c2ccccc2Br)C1 ZINC000819304538 660254369 /nfs/dbraw/zinc/25/43/69/660254369.db2.gz GRIRXZAFDRZDAU-YOEHRIQHSA-N 1 0 396.329 2.752 20 0 GFADRO COC(=O)N1CCC(C[NH2+]C[C@H](O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000819307764 660254568 /nfs/dbraw/zinc/25/45/68/660254568.db2.gz GONUFJBIOHIIAA-ZDUSSCGKSA-N 1 0 391.295 2.801 20 0 GFADRO CS(=O)(=O)c1ccc([C@@H](O)C[NH2+]CCOc2ccc(Cl)c(F)c2)cc1 ZINC000819349733 660256131 /nfs/dbraw/zinc/25/61/31/660256131.db2.gz WLNGTWZWTNXXPL-KRWDZBQOSA-N 1 0 387.860 2.585 20 0 GFADRO Cc1ccc(Br)cc1C[NH2+]C[C@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC000819253165 660252107 /nfs/dbraw/zinc/25/21/07/660252107.db2.gz BRFBJKJKYYOMPE-KRWDZBQOSA-N 1 0 398.322 2.984 20 0 GFADRO CC(C)(CC[NH2+]C[C@](C)(O)c1ccc(Br)cc1F)S(C)(=O)=O ZINC000819372104 660257321 /nfs/dbraw/zinc/25/73/21/660257321.db2.gz UTPZBTLJNYMAJH-HNNXBMFYSA-N 1 0 396.322 2.599 20 0 GFADRO O=c1ccn(C[N@@H+]2CCC[C@@H](n3ccnn3)C2)c2c(Br)cccc12 ZINC000819898665 660273095 /nfs/dbraw/zinc/27/30/95/660273095.db2.gz YLPDDXYVIGLWIO-CYBMUJFWSA-N 1 0 388.269 2.650 20 0 GFADRO C[N@@H+]1CC[C@]2(CCN(C(=O)c3cc4ccc(Br)cc4c(=O)o3)C2)C1 ZINC000820342814 660290083 /nfs/dbraw/zinc/29/00/83/660290083.db2.gz OBRKTAJFFNGJKP-SFHVURJKSA-N 1 0 391.265 2.723 20 0 GFADRO C[C@@H](C[NH2+][C@H](C)c1ccc(S(=O)(=O)CC(N)=O)cc1)Cc1cccs1 ZINC000820812462 660307422 /nfs/dbraw/zinc/30/74/22/660307422.db2.gz LVKOXVYEBYYWHN-ZIAGYGMSSA-N 1 0 380.535 2.537 20 0 GFADRO C[C@H]1CN(C(=O)c2cc3cc(Br)cnc3n2C)CC[N@@H+](C2CC2)C1 ZINC000820875298 660309037 /nfs/dbraw/zinc/30/90/37/660309037.db2.gz ZTDBKGZDQPCDQQ-GFCCVEGCSA-N 1 0 391.313 2.892 20 0 GFADRO Nc1cc(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc(Br)n1 ZINC000821126160 660316714 /nfs/dbraw/zinc/31/67/14/660316714.db2.gz YIYBHOBTJXBUPL-RISCZKNCSA-N 1 0 379.302 2.515 20 0 GFADRO CO[C@@H]1CC[C@H]([N@@H+]2CCCN(S(=O)(=O)c3ccc(Cl)s3)CC2)C1 ZINC000821362418 660323194 /nfs/dbraw/zinc/32/31/94/660323194.db2.gz HJBXFSUQKKOLLW-QWHCGFSZSA-N 1 0 378.947 2.665 20 0 GFADRO CCn1ncc(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)c1Br ZINC000821366323 660323223 /nfs/dbraw/zinc/32/32/23/660323223.db2.gz ULSMOJBRTYLAOE-LSDHHAIUSA-N 1 0 377.286 2.841 20 0 GFADRO C[C@@H]1CN(C(=O)c2ncc(Br)cn2)CC[N@H+](Cc2ccccc2)C1 ZINC000821767866 660333614 /nfs/dbraw/zinc/33/36/14/660333614.db2.gz RSWZPJLCKXATCX-AWEZNQCLSA-N 1 0 389.297 2.833 20 0 GFADRO C[C@H](CNC(=O)c1csc(I)n1)[N@@H+]1CCC[C@H](C)C1 ZINC000822059525 660339838 /nfs/dbraw/zinc/33/98/38/660339838.db2.gz SZUNJFOKVFRCJH-VHSXEESVSA-N 1 0 393.294 2.598 20 0 GFADRO CC[N@@H+]1CCCN(C(=O)C[C@@H]2C(=O)Nc3ccc(Br)cc32)[C@H](C)C1 ZINC000822569691 660348155 /nfs/dbraw/zinc/34/81/55/660348155.db2.gz WNDYDMLFGPNNES-DOMZBBRYSA-N 1 0 394.313 2.818 20 0 GFADRO CC[N@@H+]1CCCN(C(=O)C[C@H]2C(=O)Nc3ccc(Br)cc32)[C@H](C)C1 ZINC000822569692 660348189 /nfs/dbraw/zinc/34/81/89/660348189.db2.gz WNDYDMLFGPNNES-IUODEOHRSA-N 1 0 394.313 2.818 20 0 GFADRO C[C@H](CNC(=O)[C@@]1(C)CC1(Br)Br)C[NH+]1CCCC1 ZINC000822692627 660351965 /nfs/dbraw/zinc/35/19/65/660351965.db2.gz BQTFCRFPIDYKGP-ZYHUDNBSSA-N 1 0 382.140 2.731 20 0 GFADRO CSc1ccc(-c2noc(C3(S(C)(=O)=O)CC[NH2+]CC3)n2)c(Cl)c1 ZINC000822857558 660355945 /nfs/dbraw/zinc/35/59/45/660355945.db2.gz XMKOENXEXQSJLF-UHFFFAOYSA-N 1 0 387.914 2.735 20 0 GFADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1cc(Cl)c(Br)cc1F ZINC000822879753 660356573 /nfs/dbraw/zinc/35/65/73/660356573.db2.gz WEDWYPSCRKJJCI-ZJUUUORDSA-N 1 0 391.668 2.835 20 0 GFADRO C[C@H]([NH3+])[C@H](C)c1nc(Cc2cccc(F)c2I)no1 ZINC000822981046 660359362 /nfs/dbraw/zinc/35/93/62/660359362.db2.gz UGMNVPQQAQLGEN-YUMQZZPRSA-N 1 0 375.185 2.855 20 0 GFADRO COc1cc(Br)ccc1-c1noc(-c2cn(CCCC[NH3+])nn2)n1 ZINC000822985746 660359392 /nfs/dbraw/zinc/35/93/92/660359392.db2.gz QJPMZDPYQVYRDG-UHFFFAOYSA-N 1 0 393.245 2.505 20 0 GFADRO [NH3+]CCCCn1cc(-c2nc(-c3ccc(Br)cc3F)no2)nn1 ZINC000823064963 660360831 /nfs/dbraw/zinc/36/08/31/660360831.db2.gz SLOOMCBIOPHSBO-UHFFFAOYSA-N 1 0 381.209 2.636 20 0 GFADRO O=C(Cc1sccc1Br)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000823301638 660367889 /nfs/dbraw/zinc/36/78/89/660367889.db2.gz MTYXPTLJJDWBGT-ZDUSSCGKSA-N 1 0 387.343 2.813 20 0 GFADRO C[NH+]1CCC(OCC(=O)NCc2cc(Cl)ccc2Br)CC1 ZINC000823422482 660371759 /nfs/dbraw/zinc/37/17/59/660371759.db2.gz IBADBQVPPZJDGM-UHFFFAOYSA-N 1 0 375.694 2.830 20 0 GFADRO C[NH+](C)CCOc1ccc(NC(=O)c2cc(N)nc(Br)c2)cc1F ZINC000823545944 660374527 /nfs/dbraw/zinc/37/45/27/660374527.db2.gz HWQXWJWBUNJDBU-UHFFFAOYSA-N 1 0 397.248 2.758 20 0 GFADRO C[NH+](C)CCn1nccc1NC(=O)NC[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC000823589908 660375711 /nfs/dbraw/zinc/37/57/11/660375711.db2.gz PONWWUCAKSTXMN-AWEZNQCLSA-N 1 0 386.283 2.607 20 0 GFADRO C[N@H+](CCCN1C(=O)c2ccccc2C1=O)Cc1ccnc(Br)c1 ZINC000823633805 660376977 /nfs/dbraw/zinc/37/69/77/660376977.db2.gz SUSPPKSWIXKHKV-UHFFFAOYSA-N 1 0 388.265 2.962 20 0 GFADRO O=C(N[C@H]1C[C@@H]([NH+]2CCCC2)C1)c1cc(Br)c2nccnc2c1 ZINC000823653176 660377595 /nfs/dbraw/zinc/37/75/95/660377595.db2.gz WHKXJPKFOGWGEV-BETUJISGSA-N 1 0 375.270 2.749 20 0 GFADRO C[N@@H+]1C[C@@H]2CCCN(C(=O)Nc3cc4c(cc3Br)OCCO4)[C@@H]2C1 ZINC000824000468 660383735 /nfs/dbraw/zinc/38/37/35/660383735.db2.gz FCHOCOZHFFZABB-SMDDNHRTSA-N 1 0 396.285 2.778 20 0 GFADRO C[C@@H]1C[C@H](C[NH2+]CCCCCS(C)(=O)=O)CCN1C(=O)OC(C)(C)C ZINC000824203813 660387048 /nfs/dbraw/zinc/38/70/48/660387048.db2.gz YNQPEMDEQUGQLR-HZPDHXFCSA-N 1 0 376.563 2.827 20 0 GFADRO CC(C)[C@@H](CNC(=O)OC(C)(C)C)C[N@@H+]1CCC[C@@H](CS(C)(=O)=O)C1 ZINC000824433689 660391909 /nfs/dbraw/zinc/39/19/09/660391909.db2.gz MYAPSBDWCYUGGL-CVEARBPZSA-N 1 0 376.563 2.540 20 0 GFADRO O[C@@H]1c2ccccc2OC[C@H]1[NH2+]Cc1ccc(I)cc1 ZINC000824410344 660391478 /nfs/dbraw/zinc/39/14/78/660391478.db2.gz ZOLHSORXGMVKII-GDBMZVCRSA-N 1 0 381.213 2.875 20 0 GFADRO COC(=O)c1ccc(C[N@@H+]2CC[C@@H](CN3CCOC3=O)C2)c(Br)c1 ZINC000824454844 660392498 /nfs/dbraw/zinc/39/24/98/660392498.db2.gz LLNDNADOVDKIOP-GFCCVEGCSA-N 1 0 397.269 2.510 20 0 GFADRO OCCCN1CCC[C@@H]([NH2+]Cc2nc3ccc(Br)cc3s2)C1 ZINC000824582556 660397742 /nfs/dbraw/zinc/39/77/42/660397742.db2.gz AIZXYBODKOYASU-CYBMUJFWSA-N 1 0 384.343 2.995 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)c2ccc3c(Br)cnn3c2)C1 ZINC000824651477 660398831 /nfs/dbraw/zinc/39/88/31/660398831.db2.gz FINMJDNLKJRZQN-GFCCVEGCSA-N 1 0 379.302 2.947 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)c1c(Br)nc2n1CCC2)c1ccsc1 ZINC000824726202 660399980 /nfs/dbraw/zinc/39/99/80/660399980.db2.gz JETPLEDLFMQABQ-LLVKDONJSA-N 1 0 383.315 2.686 20 0 GFADRO C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+]CCS(=O)(=O)C1CCOCC1 ZINC000824903410 660404677 /nfs/dbraw/zinc/40/46/77/660404677.db2.gz GFRVFAGBZQWCGE-KGLIPLIRSA-N 1 0 382.551 2.972 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)c1c(Br)nc2n1CCC2 ZINC000825110416 660410803 /nfs/dbraw/zinc/41/08/03/660410803.db2.gz FNMQLCKWRKWWTG-CYBMUJFWSA-N 1 0 383.334 2.976 20 0 GFADRO Cn1nc(C(F)(F)F)c(C[NH2+][C@@H]2CCO[C@@H](c3ccnn3C)C2)c1Cl ZINC000825046273 660408514 /nfs/dbraw/zinc/40/85/14/660408514.db2.gz ROZLRXCTVJEJBA-BXKDBHETSA-N 1 0 377.798 2.836 20 0 GFADRO Cn1c(C(=O)NC[C@@H]2C[NH2+]CCCO2)ccc1-c1ccc(Br)cc1 ZINC000825189117 660414140 /nfs/dbraw/zinc/41/41/40/660414140.db2.gz XMGRBTIFMWXHFC-HNNXBMFYSA-N 1 0 392.297 2.563 20 0 GFADRO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000825196530 660414541 /nfs/dbraw/zinc/41/45/41/660414541.db2.gz IERTZJYRJDNBKC-JQWIXIFHSA-N 1 0 379.254 2.721 20 0 GFADRO CN(C(=O)COC1CC[NH+](C)CC1)[C@@H](CO)c1cccc(Cl)c1Cl ZINC000825230883 660416735 /nfs/dbraw/zinc/41/67/35/660416735.db2.gz PRRDDNWCYGUWSW-HNNXBMFYSA-N 1 0 375.296 2.596 20 0 GFADRO CCC[N@H+](C)C[C@H]1CCN(c2ccc(Br)cc2-c2nn[nH]n2)C1 ZINC000825300565 660419281 /nfs/dbraw/zinc/41/92/81/660419281.db2.gz BBFZJXOKAMQHFB-GFCCVEGCSA-N 1 0 379.306 2.797 20 0 GFADRO Cc1nn(C)c2ncc(C[NH2+]C[C@H](O)c3ccccc3Br)cc12 ZINC000825338388 660421559 /nfs/dbraw/zinc/42/15/59/660421559.db2.gz PULKEIRNTKSHKE-INIZCTEOSA-N 1 0 375.270 2.862 20 0 GFADRO Cn1nc(C(=O)NCC2CC[NH+](Cc3cccs3)CC2)cc1Br ZINC000825516812 660431778 /nfs/dbraw/zinc/43/17/78/660431778.db2.gz CBORGCSUFWKDOH-UHFFFAOYSA-N 1 0 397.342 2.886 20 0 GFADRO Cc1c(Cl)cnc(NCC[N@@H+]2CCc3sccc3C2)c1-c1nn[nH]n1 ZINC000826240554 660452014 /nfs/dbraw/zinc/45/20/14/660452014.db2.gz ZPKBDRCYVRXZLM-UHFFFAOYSA-N 1 0 375.889 2.755 20 0 GFADRO C[N@H+](CCNC(=O)[C@@]1(C)CC1(Br)Br)C1CCCC1 ZINC000826564507 660457165 /nfs/dbraw/zinc/45/71/65/660457165.db2.gz GAQHNTMILKEVPA-GFCCVEGCSA-N 1 0 382.140 2.873 20 0 GFADRO COc1cc(/C=C\C(=O)NCC[N@@H+]2CC[C@H](C)C2)cc(Br)c1O ZINC000826722226 660462424 /nfs/dbraw/zinc/46/24/24/660462424.db2.gz OVNPEHCMKNHOCH-MVZIDQBPSA-N 1 0 383.286 2.635 20 0 GFADRO C[C@@H]1C[C@@H](C[NH2+]CC[S@](=O)CC(F)(F)F)CCN1C(=O)OC(C)(C)C ZINC000826868039 660469214 /nfs/dbraw/zinc/46/92/14/660469214.db2.gz OQPZRXGLCZQXEO-OCDDVZBJSA-N 1 0 386.480 2.923 20 0 GFADRO C[C@@]1(C(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)CC1(Br)Br ZINC000852880618 661876371 /nfs/dbraw/zinc/87/63/71/661876371.db2.gz NWTYWXIJEDYISO-AAEUAGOBSA-N 1 0 394.151 2.731 20 0 GFADRO C[C@@]1(C(=O)N[C@H]2CC[NH2+]C3(CCC3)C2)CC1(Br)Br ZINC000852893976 661876600 /nfs/dbraw/zinc/87/66/00/661876600.db2.gz RLCZPNUINRMVEF-ONGXEEELSA-N 1 0 380.124 2.673 20 0 GFADRO C[NH+]1CCC(OCC(=O)N2CC3(CC3)c3ccc(Br)cc32)CC1 ZINC000827151075 660481371 /nfs/dbraw/zinc/48/13/71/660481371.db2.gz WDQPODOQSQQDPC-UHFFFAOYSA-N 1 0 379.298 2.938 20 0 GFADRO CN(C)C(=O)CN(CC[NH+](C)C)Cc1nc2ccc(Br)cc2s1 ZINC000827158049 660481664 /nfs/dbraw/zinc/48/16/64/660481664.db2.gz MQXDZCHDBJPPIF-UHFFFAOYSA-N 1 0 399.358 2.511 20 0 GFADRO C[N@@H+]1CC[C@H]2CN(C(=O)c3ccc(I)c(F)c3)CC[C@H]21 ZINC000827322467 660489045 /nfs/dbraw/zinc/48/90/45/660489045.db2.gz ZUJBBEVUHHOZOX-SMDDNHRTSA-N 1 0 388.224 2.597 20 0 GFADRO C[N@@H+]1CC[C@H]2CN(C(=O)c3cc(F)ccc3I)CC[C@@H]21 ZINC000827328180 660489343 /nfs/dbraw/zinc/48/93/43/660489343.db2.gz CULYTUMVOHNLJO-HZMBPMFUSA-N 1 0 388.224 2.597 20 0 GFADRO CCOc1c(Br)cc(C[N@H+](C)CCN(C)C(=O)OC)cc1OC ZINC000827335803 660489672 /nfs/dbraw/zinc/48/96/72/660489672.db2.gz ZIEUKQFHFRGOFW-UHFFFAOYSA-N 1 0 389.290 2.986 20 0 GFADRO Cc1c(Br)scc1C(=O)N1CCC([NH+]2CCN(C)CC2)CC1 ZINC000827445362 660495994 /nfs/dbraw/zinc/49/59/94/660495994.db2.gz MSEBQTUYOPFIAE-UHFFFAOYSA-N 1 0 386.359 2.671 20 0 GFADRO CC(C)n1cc(Br)cc1C(=O)N1CCC([NH+]2CCN(C)CC2)CC1 ZINC000827450733 660496337 /nfs/dbraw/zinc/49/63/37/660496337.db2.gz XLZLFLUYWHIPFC-UHFFFAOYSA-N 1 0 397.361 2.684 20 0 GFADRO Cc1c(Br)cccc1C(=O)N1CCC([NH+]2CCN(C)CC2)CC1 ZINC000827449989 660496449 /nfs/dbraw/zinc/49/64/49/660496449.db2.gz OVZNFZGBUKGRRW-UHFFFAOYSA-N 1 0 380.330 2.610 20 0 GFADRO C[NH+](C)CCCC1CCN(C(=O)c2c(Br)nc3n2CCC3)CC1 ZINC000827596375 660504065 /nfs/dbraw/zinc/50/40/65/660504065.db2.gz XOAFIUMVPFHOAG-UHFFFAOYSA-N 1 0 383.334 2.786 20 0 GFADRO CC(C)(C[NH+]1CCOCC1)C(=O)N[C@@H]1[C@@H]2Cc3ccc(Br)cc3[C@@H]21 ZINC000828736550 660567620 /nfs/dbraw/zinc/56/76/20/660567620.db2.gz PITHSNKDQQPGEE-IXDOHACOSA-N 1 0 393.325 2.562 20 0 GFADRO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)C[C@@H]1C(=O)Nc2ccc(Br)cc21 ZINC000828958715 660576781 /nfs/dbraw/zinc/57/67/81/660576781.db2.gz IMTBFQYXPFIVLS-NUEKZKHPSA-N 1 0 392.297 2.570 20 0 GFADRO CN(CC[NH+]1CC2(C1)CCOCC2)C(=O)[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000829257462 660587010 /nfs/dbraw/zinc/58/70/10/660587010.db2.gz IMTZBORGQYIXQI-INIZCTEOSA-N 1 0 387.307 2.598 20 0 GFADRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1cc(Br)n[nH]1 ZINC000829694483 660607570 /nfs/dbraw/zinc/60/75/70/660607570.db2.gz OZBCWIWWIYWJCV-GXTWGEPZSA-N 1 0 377.286 2.813 20 0 GFADRO CC(C)CN(CC1CC[NH+](C)CC1)C(=O)c1cc(Br)c[nH]c1=O ZINC000829600001 660602463 /nfs/dbraw/zinc/60/24/63/660602463.db2.gz QPETUBLRVOOABN-UHFFFAOYSA-N 1 0 384.318 2.990 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)[C@@]2(C)CC2(Br)Br)C[N@@H+]1C1CC1 ZINC000829863378 660617805 /nfs/dbraw/zinc/61/78/05/660617805.db2.gz MGKNBQZVZBNOPL-VDDIYKPWSA-N 1 0 380.124 2.624 20 0 GFADRO Cc1cc(NC(=O)N(C)CCOCC[NH3+])nn1-c1ccc(Cl)c(Cl)c1 ZINC000625875677 652374032 /nfs/dbraw/zinc/37/40/32/652374032.db2.gz FYEQWLMQKYYNRS-UHFFFAOYSA-N 1 0 386.283 2.927 20 0 GFADRO Cc1cc(NC(=O)NCCOCCC[NH3+])nn1-c1ccc(Cl)c(Cl)c1 ZINC000625875695 652374193 /nfs/dbraw/zinc/37/41/93/652374193.db2.gz GJYLMWOZSFCUBI-UHFFFAOYSA-N 1 0 386.283 2.974 20 0 GFADRO CN(C)c1cc[nH+]c(CNC(=O)[C@](C)(O)c2ccc(F)c(Br)c2)c1 ZINC000829964982 660627005 /nfs/dbraw/zinc/62/70/05/660627005.db2.gz IHKMBKOZZGMYIT-QGZVFWFLSA-N 1 0 396.260 2.573 20 0 GFADRO C[NH+]1CCC(OCC(=O)NCc2cc(Br)ccc2Cl)CC1 ZINC000829971130 660627531 /nfs/dbraw/zinc/62/75/31/660627531.db2.gz MXQURBZJINZZJS-UHFFFAOYSA-N 1 0 375.694 2.830 20 0 GFADRO COCC[N@H+]1[C@H](C)CN(C[C@H](O)COc2ccc(Cl)c(Cl)c2)C[C@@H]1C ZINC000830043106 660631604 /nfs/dbraw/zinc/63/16/04/660631604.db2.gz ZFTRCVSAIGBPOS-ZNMIVQPWSA-N 1 0 391.339 2.774 20 0 GFADRO CN(C)C(=O)O[C@H]1CCC[N@H+](CCC(=O)Nc2ccc(Br)cc2)C1 ZINC000830574088 660664827 /nfs/dbraw/zinc/66/48/27/660664827.db2.gz JCLADVRTTZRCHL-HNNXBMFYSA-N 1 0 398.301 2.940 20 0 GFADRO Cn1nc(C(=O)NC[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)cc1Br ZINC000831139654 660698708 /nfs/dbraw/zinc/69/87/08/660698708.db2.gz DVMXWYFSISYWQZ-GOSISDBHSA-N 1 0 391.313 2.825 20 0 GFADRO CN(C)CC[N@H+](C)CCCNC(=O)C(F)(F)c1ccccc1Br ZINC000832124478 660756298 /nfs/dbraw/zinc/75/62/98/660756298.db2.gz LUQODCZVBSPGFC-UHFFFAOYSA-N 1 0 392.288 2.541 20 0 GFADRO CC1=CC[N@H+](CCNC(=O)[C@@]2(C)CC2(Br)Br)CC1 ZINC000832207264 660763395 /nfs/dbraw/zinc/76/33/95/660763395.db2.gz LUAWANBRHONILS-GFCCVEGCSA-N 1 0 380.124 2.651 20 0 GFADRO Cc1nn(C)c(C)c1CC[NH2+]C[C@@](C)(O)c1ccc(Br)cc1F ZINC000834357516 660816080 /nfs/dbraw/zinc/81/60/80/660816080.db2.gz LJWRLNCWMYUTHV-QGZVFWFLSA-N 1 0 384.293 2.978 20 0 GFADRO Cn1nc2cc(Br)ccc2c1C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000834718386 660831142 /nfs/dbraw/zinc/83/11/42/660831142.db2.gz CLHLTKNCPMPRDJ-JKSUJKDBSA-N 1 0 399.292 2.903 20 0 GFADRO O=C(NCC12CCC[NH+]1CCC2)c1cnn(-c2ccccc2)c1Br ZINC000834752356 660831796 /nfs/dbraw/zinc/83/17/96/660831796.db2.gz NUFSOZKICXBVCN-UHFFFAOYSA-N 1 0 389.297 2.993 20 0 GFADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)NCC[C@]2(C)CC2(Cl)Cl)CC1 ZINC000836343404 660900515 /nfs/dbraw/zinc/90/05/15/660900515.db2.gz HSBMJBMDRCHCBK-GOEBONIOSA-N 1 0 379.376 2.533 20 0 GFADRO C[C@@H](CNC(=O)NC[C@@H](O)c1ccccc1Br)[NH+]1CCC(C)CC1 ZINC000836350483 660901057 /nfs/dbraw/zinc/90/10/57/660901057.db2.gz WVQRYLMJJOKPIX-WMLDXEAASA-N 1 0 398.345 2.902 20 0 GFADRO C[NH+](C)CC1CCC(NC(=O)NC[C@H](O)c2ccccc2Br)CC1 ZINC000836372904 660902317 /nfs/dbraw/zinc/90/23/17/660902317.db2.gz CBLHSKHKCPLHKE-KVULBXGLSA-N 1 0 398.345 2.902 20 0 GFADRO CC[NH+]1CCN(CC(C)(C)NC(=O)Nc2ccc(C)c(Br)n2)CC1 ZINC000836606558 660920023 /nfs/dbraw/zinc/92/00/23/660920023.db2.gz RJTVHSUZICVFNJ-UHFFFAOYSA-N 1 0 398.349 2.690 20 0 GFADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CSc2nc3ccccc3s2)C1 ZINC000018186608 654522811 /nfs/dbraw/zinc/52/28/11/654522811.db2.gz PUHOUGZJOHRJKJ-CQSZACIVSA-N 1 0 379.551 2.861 20 0 GFADRO CCS(=O)(=O)N1CCC([NH2+][C@@H](C)c2cccc(Br)c2)CC1 ZINC000020554605 654524856 /nfs/dbraw/zinc/52/48/56/654524856.db2.gz KAGQOMOIFQGEAW-LBPRGKRZSA-N 1 0 375.332 2.914 20 0 GFADRO CCNC(=S)C(C(=O)c1ccccc1Br)[n+]1cccc(CO)c1 ZINC000028776974 654572994 /nfs/dbraw/zinc/57/29/94/654572994.db2.gz LCAVTGGPUGTGCI-UHFFFAOYSA-O 1 0 394.314 2.777 20 0 GFADRO Cc1c(Br)cccc1C[C@@H](CO)CNC(=O)C1([NH+](C)C)CCC1 ZINC000837064341 660968507 /nfs/dbraw/zinc/96/85/07/660968507.db2.gz IIWMRUXROZARNG-CQSZACIVSA-N 1 0 383.330 2.509 20 0 GFADRO O=c1oc2cc(Br)ccc2n1CN1CCN(c2cc[nH+]cc2)CC1 ZINC000029500384 654577910 /nfs/dbraw/zinc/57/79/10/654577910.db2.gz IPTGLKOLKYEQQF-UHFFFAOYSA-N 1 0 389.253 2.532 20 0 GFADRO O[C@H](CNCc1ccccc1Br)C[N@@H+]1CCc2ccccc2C1 ZINC000030903627 654590030 /nfs/dbraw/zinc/59/00/30/654590030.db2.gz WFFDRCWFYINWNJ-GOSISDBHSA-N 1 0 375.310 2.958 20 0 GFADRO Nc1cc(N)[nH+]c(SCc2nnc(-c3ccc(Br)s3)o2)n1 ZINC000031820013 654599221 /nfs/dbraw/zinc/59/92/21/654599221.db2.gz KDIJUSICMAGWOS-UHFFFAOYSA-N 1 0 385.272 2.807 20 0 GFADRO CCS(=O)(=O)N1CCC([NH2+][C@@H](C)c2sccc2Br)CC1 ZINC000037241311 654614608 /nfs/dbraw/zinc/61/46/08/654614608.db2.gz OGOKLRLUDLJFBR-JTQLQIEISA-N 1 0 381.361 2.975 20 0 GFADRO COc1c(Br)cc(C[NH2+]CCC(=O)N(C)C)cc1Br ZINC000037751976 654616084 /nfs/dbraw/zinc/61/60/84/654616084.db2.gz QBLWCGVIWGHQAC-UHFFFAOYSA-N 1 0 394.107 2.788 20 0 GFADRO CS(=O)(=O)c1ccc([C@@H](O)C[NH2+]Cc2ccc(Br)s2)cc1 ZINC000037998550 654616346 /nfs/dbraw/zinc/61/63/46/654616346.db2.gz AKGVPLNFMCYMGP-ZDUSSCGKSA-N 1 0 390.324 2.737 20 0 GFADRO COc1c(Br)cc(Br)cc1C[NH2+]C[C@H]1COCCO1 ZINC000037998009 654616365 /nfs/dbraw/zinc/61/63/65/654616365.db2.gz KYIQPXPXFABIDP-NSHDSACASA-N 1 0 395.091 2.725 20 0 GFADRO CC1(C)CCC[N@@H+]1CCNC(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000837177083 660975727 /nfs/dbraw/zinc/97/57/27/660975727.db2.gz MACAIYYXXQSLQR-UHFFFAOYSA-N 1 0 378.416 2.584 20 0 GFADRO C[C@H]1C[NH+](CCCNC(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)C[C@H](C)O1 ZINC000041275590 654625197 /nfs/dbraw/zinc/62/51/97/654625197.db2.gz NZLZLQNWPFXWQU-RYUDHWBXSA-N 1 0 388.295 2.547 20 0 GFADRO CSc1nc2ccc(NC(=O)C(=O)NC[C@@H](C)[NH+]3CCCC3)cc2s1 ZINC000041597842 654627488 /nfs/dbraw/zinc/62/74/88/654627488.db2.gz FFCXGBBBIKQMFF-LLVKDONJSA-N 1 0 378.523 2.557 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)NCC[N@H+]1CCCC[C@@H]1C ZINC000041664713 654629450 /nfs/dbraw/zinc/62/94/50/654629450.db2.gz GVWJSQCVBLOUDG-AWEZNQCLSA-N 1 0 396.329 2.995 20 0 GFADRO O=C(NCc1csc(Br)c1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000042346609 654638662 /nfs/dbraw/zinc/63/86/62/654638662.db2.gz UKEZVHURKXHEOP-UHFFFAOYSA-N 1 0 381.299 2.937 20 0 GFADRO Cc1cc(C)c(NC(=S)NCCC[NH+]2CCC(C(N)=O)CC2)c(Cl)c1 ZINC000044158966 654654694 /nfs/dbraw/zinc/65/46/94/654654694.db2.gz KRWUJOOTUYSUBY-UHFFFAOYSA-N 1 0 382.961 2.831 20 0 GFADRO CCOc1cc(CN(C)C(=S)NCCC[NH+](C)C)ccc1OC(F)F ZINC000046107447 654675463 /nfs/dbraw/zinc/67/54/63/654675463.db2.gz CIOMIYKCTDOMCM-UHFFFAOYSA-N 1 0 375.485 2.945 20 0 GFADRO Cn1cc(Br)cc1C(=O)Nc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000046933867 654687927 /nfs/dbraw/zinc/68/79/27/654687927.db2.gz ZFFHBDVKYSNQRX-UHFFFAOYSA-N 1 0 391.313 2.787 20 0 GFADRO CC[NH+]1CCN([C@H](C)CNC(=O)C2(c3ccc(Br)cc3)CC2)CC1 ZINC000046946563 654688246 /nfs/dbraw/zinc/68/82/46/654688246.db2.gz GKEKSAKBRSNPHT-OAHLLOKOSA-N 1 0 394.357 2.623 20 0 GFADRO C[C@@H](CNC(=O)c1c(Br)nc2n1CCCC2)[N@@H+]1CCCC[C@@H]1C ZINC000837347017 660988049 /nfs/dbraw/zinc/98/80/49/660988049.db2.gz UECQAXOXKAPAGP-STQMWFEESA-N 1 0 383.334 2.975 20 0 GFADRO COc1ccc(Br)c(C(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000047432679 654694782 /nfs/dbraw/zinc/69/47/82/654694782.db2.gz NRGBKUGGNWBCCU-STQMWFEESA-N 1 0 385.302 2.687 20 0 GFADRO CC(C)n1cnnc1SCC(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000047442165 654695029 /nfs/dbraw/zinc/69/50/29/654695029.db2.gz NZZDICSAKNQUHW-AWEZNQCLSA-N 1 0 379.555 2.966 20 0 GFADRO CN1CC[N@H+](CCCNC(=O)CSC(F)(F)F)[C@H](c2ccccc2)C1 ZINC000048164306 654702695 /nfs/dbraw/zinc/70/26/95/654702695.db2.gz UJXLTKXDMJTPGI-HNNXBMFYSA-N 1 0 375.460 2.734 20 0 GFADRO CCOc1c(Br)cc(C[NH2+][C@@H](C)C(=O)NC)cc1Br ZINC000048416722 654706546 /nfs/dbraw/zinc/70/65/46/654706546.db2.gz QKBJUYIJUDOYDV-QMMMGPOBSA-N 1 0 394.107 2.834 20 0 GFADRO COCC[N@@H+]1CCCN(C(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)CC1 ZINC000048426868 654706939 /nfs/dbraw/zinc/70/69/39/654706939.db2.gz MSRPETHRZPTNBF-ZDUSSCGKSA-N 1 0 375.296 2.941 20 0 GFADRO COCC[N@@H+]1CCCN(C(=O)CCCOc2cccc(Br)c2)CC1 ZINC000048427854 654707045 /nfs/dbraw/zinc/70/70/45/654707045.db2.gz IXTDFIPDBSVUIS-UHFFFAOYSA-N 1 0 399.329 2.789 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)C(=O)NCC[NH+](C(C)C)C(C)C ZINC000048693440 654711518 /nfs/dbraw/zinc/71/15/18/654711518.db2.gz GFRLGMQKZILCMC-UHFFFAOYSA-N 1 0 384.318 2.931 20 0 GFADRO CC(C)[NH+](CCNC(=O)C(=O)Nc1ccc(F)cc1Br)C(C)C ZINC000048693284 654711539 /nfs/dbraw/zinc/71/15/39/654711539.db2.gz YZSUDJWTMIYCHL-UHFFFAOYSA-N 1 0 388.281 2.762 20 0 GFADRO CC(=O)NCCC[NH2+]Cc1c(C)nn(-c2ccc(Br)cc2)c1C ZINC000048709511 654711914 /nfs/dbraw/zinc/71/19/14/654711914.db2.gz CTWICKMJJQLQGQ-UHFFFAOYSA-N 1 0 379.302 2.867 20 0 GFADRO COc1ccc(Br)cc1CNC(=O)N1CC[NH+](CC(C)C)CC1 ZINC000050134804 654717807 /nfs/dbraw/zinc/71/78/07/654717807.db2.gz QVVXWJHKBVZONW-UHFFFAOYSA-N 1 0 384.318 2.941 20 0 GFADRO O=C(NC[C@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1)[C@H]1CCC[NH2+]1 ZINC000122025545 654728624 /nfs/dbraw/zinc/72/86/24/654728624.db2.gz ZFMQGKRBMCXNHB-MLGOLLRUSA-N 1 0 384.307 2.714 20 0 GFADRO CCN1C(=O)CN(C[N@@H+]2CCC[C@H]2Cc2ccc(Br)cc2)C1=O ZINC000122155813 654729765 /nfs/dbraw/zinc/72/97/65/654729765.db2.gz DWXUXEMUXNVFJZ-HNNXBMFYSA-N 1 0 380.286 2.698 20 0 GFADRO C[C@H]1C[C@H](NC(=O)NCc2cn3cc(Br)ccc3n2)C[N@@H+]1C1CC1 ZINC000122189752 654731071 /nfs/dbraw/zinc/73/10/71/654731071.db2.gz LMLOPIJATDXJPX-AAEUAGOBSA-N 1 0 392.301 2.521 20 0 GFADRO CCN1CC[NH+](C[C@H](C)CNC(=O)c2ccc(F)cc2Br)CC1 ZINC000122352423 654735227 /nfs/dbraw/zinc/73/52/27/654735227.db2.gz JFUIBYXVDBNIBA-CYBMUJFWSA-N 1 0 386.309 2.592 20 0 GFADRO CN(C)C(=O)C1CC[NH+](C[C@@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000053399296 654745835 /nfs/dbraw/zinc/74/58/35/654745835.db2.gz ROFFWAVIENCWKM-CYBMUJFWSA-N 1 0 375.296 2.533 20 0 GFADRO CC[NH+]1CCN(Cc2ccccc2CNC(=O)c2scnc2Cl)CC1 ZINC000053501599 654747802 /nfs/dbraw/zinc/74/78/02/654747802.db2.gz AXXHDJIOGCXDCL-UHFFFAOYSA-N 1 0 378.929 2.864 20 0 GFADRO C[C@@H]1C[N@@H+](CCCNC(=O)c2cc3sc(N(C)C)nc3s2)C[C@H](C)O1 ZINC000053794146 654750141 /nfs/dbraw/zinc/75/01/41/654750141.db2.gz ZZUQEFHWSZDYHN-TXEJJXNPSA-N 1 0 382.555 2.653 20 0 GFADRO C[N@H+](CCC(=O)Nc1cccc(Br)c1)CC(C)(C)S(C)(=O)=O ZINC000123606076 654759974 /nfs/dbraw/zinc/75/99/74/654759974.db2.gz GYAVUTUOJQMGKP-UHFFFAOYSA-N 1 0 391.331 2.533 20 0 GFADRO CC(C)CN1C(=O)C(=CNNc2[nH+]ccc3sccc32)C(=O)NC1=S ZINC000055181402 654770407 /nfs/dbraw/zinc/77/04/07/654770407.db2.gz CXTUGXWGGVFYLP-XFFZJAGNSA-N 1 0 375.479 2.836 20 0 GFADRO C[NH+](C)C[C@](C)(O)CNC(=O)NCC(C)(C)c1ccc(Cl)c(Cl)c1 ZINC000124351494 654774999 /nfs/dbraw/zinc/77/49/99/654774999.db2.gz PTAZCKYEFZXPIF-QGZVFWFLSA-N 1 0 376.328 2.883 20 0 GFADRO CC(C)(C)CC[NH+]1CCN(CC(=O)Nc2ccc(Br)cn2)CC1 ZINC000055934043 654784180 /nfs/dbraw/zinc/78/41/80/654784180.db2.gz DORHXIFNZMXVPA-UHFFFAOYSA-N 1 0 383.334 2.836 20 0 GFADRO CC(C)[N@@H+]1CCCC[C@@H]1COC(=O)c1nccn2c(Br)cnc12 ZINC000837614134 661008278 /nfs/dbraw/zinc/00/82/78/661008278.db2.gz WLDKFRZFNOLUOD-GFCCVEGCSA-N 1 0 381.274 2.912 20 0 GFADRO CN(C(=O)c1c(Br)nc2n1CCCC2)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000837630814 661008757 /nfs/dbraw/zinc/00/87/57/661008757.db2.gz POEASRSDBKLHTI-FUNVUKJBSA-N 1 0 381.318 2.679 20 0 GFADRO C[C@H]1CCC[N@@H+]1C1CCN(C(=O)CS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000125441500 654794893 /nfs/dbraw/zinc/79/48/93/654794893.db2.gz RIXXWWIIVHOJMJ-AWEZNQCLSA-N 1 0 384.929 2.589 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)CN1C(=O)CSc2ccccc21)c1cccs1 ZINC000057704468 654808493 /nfs/dbraw/zinc/80/84/93/654808493.db2.gz MEMDECDXSSSLCE-CQSZACIVSA-N 1 0 375.519 2.606 20 0 GFADRO O=C(NC1CC[NH+](C2CCC2)CC1)c1c(Br)nc2n1CCCC2 ZINC000837691881 661012022 /nfs/dbraw/zinc/01/20/22/661012022.db2.gz RIVOTHUXNYDMOY-UHFFFAOYSA-N 1 0 381.318 2.729 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)Nc1ccc(NS(C)(=O)=O)cc1)c1cccs1 ZINC000126350589 654812618 /nfs/dbraw/zinc/81/26/18/654812618.db2.gz SIWJXDRCVITAQH-AWEZNQCLSA-N 1 0 382.511 2.544 20 0 GFADRO CCC(=O)N1CC[C@@H]([NH2+][C@H](C)CC(=O)Nc2cccc(Br)c2)C1 ZINC000126367140 654813346 /nfs/dbraw/zinc/81/33/46/654813346.db2.gz CQFLFUCJXWZFJD-IUODEOHRSA-N 1 0 382.302 2.767 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CNC(=S)NNC(=O)c1c(Cl)cccc1Cl ZINC000057970661 654813402 /nfs/dbraw/zinc/81/34/02/654813402.db2.gz QOIVWADOBXFHHY-JTQLQIEISA-N 1 0 375.325 2.587 20 0 GFADRO CN1CC[NH+](CCCCNC(=O)CCc2ccccc2Br)CC1 ZINC000058860428 654823328 /nfs/dbraw/zinc/82/33/28/654823328.db2.gz SWGKAUDUHAMTAV-UHFFFAOYSA-N 1 0 382.346 2.526 20 0 GFADRO O=C(c1ccc(I)cc1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000127364131 654827752 /nfs/dbraw/zinc/82/77/52/654827752.db2.gz UDVCSPUUFANNIW-ZDUSSCGKSA-N 1 0 384.261 2.849 20 0 GFADRO O=C(CNC(=O)c1sc2ccccc2c1Cl)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000060470322 654830229 /nfs/dbraw/zinc/83/02/29/654830229.db2.gz YISGUCJYBZYRSD-LLVKDONJSA-N 1 0 377.897 2.637 20 0 GFADRO CCOC1CC[NH+](CC(=O)N(C)CCOc2ccc(Br)cc2)CC1 ZINC000060493266 654830434 /nfs/dbraw/zinc/83/04/34/654830434.db2.gz AVULUAQZSRNNQW-UHFFFAOYSA-N 1 0 399.329 2.787 20 0 GFADRO C[C@H](CNC(=O)c1c(F)cccc1I)C[NH+]1CCCC1 ZINC000127591715 654832695 /nfs/dbraw/zinc/83/26/95/654832695.db2.gz BWKKYGDJPOJSHR-LLVKDONJSA-N 1 0 390.240 2.892 20 0 GFADRO C[C@@H]1C[N@@H+](CCCNC(=O)[C@@H]2COc3ccc(Br)cc32)C[C@H](C)O1 ZINC000127925598 654837536 /nfs/dbraw/zinc/83/75/36/654837536.db2.gz FDDHZOGJIRVWKV-DVOMOZLQSA-N 1 0 397.313 2.541 20 0 GFADRO C[C@@H]1C[C@@H](NS(=O)(=O)Cc2ccc(Cl)nc2)C[N@@H+]1Cc1ccccc1 ZINC000128145590 654841782 /nfs/dbraw/zinc/84/17/82/654841782.db2.gz SEEMWBMBVSQNET-RHSMWYFYSA-N 1 0 379.913 2.817 20 0 GFADRO CC[NH+](CC)[C@H]1CCN(S(=O)(=O)c2ccc(F)cc2Br)C1 ZINC000062983944 654848682 /nfs/dbraw/zinc/84/86/82/654848682.db2.gz ZZNXUELQVKYWSX-LBPRGKRZSA-N 1 0 379.295 2.693 20 0 GFADRO O=S(=O)(c1sccc1Br)N1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000063189940 654850256 /nfs/dbraw/zinc/85/02/56/654850256.db2.gz ASYSPASECSQVQJ-RYUDHWBXSA-N 1 0 379.345 2.806 20 0 GFADRO O=C(c1cccc(I)c1)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000063199057 654850515 /nfs/dbraw/zinc/85/05/15/654850515.db2.gz NOUIRKJHWUYPEJ-HNNXBMFYSA-N 1 0 384.261 2.895 20 0 GFADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3ccc(I)cc3)CC[C@@H]21 ZINC000129121454 654857186 /nfs/dbraw/zinc/85/71/86/654857186.db2.gz XIKPMHSXMZDPDG-HIFRSBDPSA-N 1 0 384.261 2.848 20 0 GFADRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2CN2C(=O)c3cc(Cl)c(Cl)cc3C2=O)C1 ZINC000129210322 654860282 /nfs/dbraw/zinc/86/02/82/654860282.db2.gz AAIXMJSLJMTCPW-BDJLRTHQSA-N 1 0 382.291 2.963 20 0 GFADRO Cc1cc(Cl)ccc1C[NH2+]C1CCN(S(=O)(=O)C2CCOCC2)CC1 ZINC000129768531 654872568 /nfs/dbraw/zinc/87/25/68/654872568.db2.gz CDUDCOGJYFQLNM-UHFFFAOYSA-N 1 0 386.945 2.711 20 0 GFADRO O=C(NC[C@@H]1CCC[NH2+]1)c1c(Cl)ccc(I)c1F ZINC000911752663 664255106 /nfs/dbraw/zinc/25/51/06/664255106.db2.gz XMYWQSBAUFLABZ-ZETCQYMHSA-N 1 0 382.604 2.566 20 0 GFADRO C[C@@H]1C[C@@H](N(C)C(=O)CCN2C(=S)N=NC2c2cccs2)CC[N@@H+]1C ZINC000266554508 654884660 /nfs/dbraw/zinc/88/46/60/654884660.db2.gz ULPIRZMCSUQYQX-OLZOCXBDSA-N 1 0 379.555 2.627 20 0 GFADRO Cn1cc(Br)cc1C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000266666814 654889034 /nfs/dbraw/zinc/88/90/34/654889034.db2.gz TYTSINFJKUAQCL-UHFFFAOYSA-N 1 0 384.318 2.505 20 0 GFADRO O=C(N[C@H]1CCOc2ccc(Br)cc21)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000266680551 654889647 /nfs/dbraw/zinc/88/96/47/654889647.db2.gz CMUAIPFVXQUQLM-HOCLYGCPSA-N 1 0 392.297 2.928 20 0 GFADRO O=C(Nc1ccccc1Br)C(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000266795592 654894369 /nfs/dbraw/zinc/89/43/69/654894369.db2.gz XEOJGJDFLZRWPY-AWEZNQCLSA-N 1 0 394.313 2.722 20 0 GFADRO Cc1cc(Cl)ccc1S(=O)(=O)N(C)C1CC[NH+](C2CCOCC2)CC1 ZINC000066103481 654894514 /nfs/dbraw/zinc/89/45/14/654894514.db2.gz MVHMJQFXRQEJCF-UHFFFAOYSA-N 1 0 386.945 2.912 20 0 GFADRO O=C(Nc1cccc(I)c1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000066157879 654895937 /nfs/dbraw/zinc/89/59/37/654895937.db2.gz AMZVDFQWKHTHQH-CQSZACIVSA-N 1 0 385.249 2.993 20 0 GFADRO O=C(NCCOc1cccc(Br)c1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000066187496 654896414 /nfs/dbraw/zinc/89/64/14/654896414.db2.gz GNXVQYVXZSCGSF-HNNXBMFYSA-N 1 0 382.302 2.708 20 0 GFADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)c3ccc(C)c(Br)c3)C2)CC1 ZINC000266930296 654899493 /nfs/dbraw/zinc/89/94/93/654899493.db2.gz MNBSVOCLPVIXSD-MRXNPFEDSA-N 1 0 380.330 2.610 20 0 GFADRO O=C(CCc1cc(Br)cs1)NCCCC[N@H+]1CCC[C@@H]1CO ZINC000131360932 654903610 /nfs/dbraw/zinc/90/36/10/654903610.db2.gz QTSLIVWUAHPYSZ-CQSZACIVSA-N 1 0 389.359 2.796 20 0 GFADRO C[NH+](C)CCN(Cc1ccsc1)C(=O)c1c(Br)nc2n1CCC2 ZINC000838186622 661032227 /nfs/dbraw/zinc/03/22/27/661032227.db2.gz PPOSCEOVVWYTAL-UHFFFAOYSA-N 1 0 397.342 2.857 20 0 GFADRO O=C(NCCCC[N@H+]1CCC[C@@H]1CO)[C@H]1C[C@H]1c1ccc(Br)cc1 ZINC000131496740 654908343 /nfs/dbraw/zinc/90/83/43/654908343.db2.gz RLVBXNWUDHVYBJ-SQNIBIBYSA-N 1 0 395.341 2.906 20 0 GFADRO C[C@H](CC(N)=O)[NH2+][C@H](c1ccc(Cl)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000267204444 654917026 /nfs/dbraw/zinc/91/70/26/654917026.db2.gz GFRYMUQEDPTVFJ-KZULUSFZSA-N 1 0 380.897 2.686 20 0 GFADRO COc1cc(C[N@H+](C)[C@H]2CCOC2)cc(I)c1OC ZINC000132163332 654927311 /nfs/dbraw/zinc/92/73/11/654927311.db2.gz PXUWVGBGJMCQFY-NSHDSACASA-N 1 0 377.222 2.529 20 0 GFADRO O=C(Nc1ccc(Br)c(F)c1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000267476526 654930332 /nfs/dbraw/zinc/93/03/32/654930332.db2.gz QSBAOODJIDAMHA-LBPRGKRZSA-N 1 0 386.265 2.774 20 0 GFADRO Cn1cc(Br)cc(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)c1=O ZINC000267550382 654934458 /nfs/dbraw/zinc/93/44/58/654934458.db2.gz BVENRYMTXIHTFG-INIZCTEOSA-N 1 0 390.281 2.751 20 0 GFADRO CC[C@H](C)[N@H+](C)CCNC(=O)N(C)C[C@H](O)c1ccccc1Br ZINC000838205754 661032497 /nfs/dbraw/zinc/03/24/97/661032497.db2.gz FEVBFMZLQHANFR-BBRMVZONSA-N 1 0 386.334 2.854 20 0 GFADRO CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1C[C@H](O)COc1ccc(Br)cc1 ZINC000067652656 654942231 /nfs/dbraw/zinc/94/22/31/654942231.db2.gz YXMBOXSZTGBOBG-RDJZCZTQSA-N 1 0 399.329 2.522 20 0 GFADRO CC1(C)C[C@H]([NH2+]Cc2nnnn2-c2ccccc2Br)C(C)(C)O1 ZINC000132614456 654943910 /nfs/dbraw/zinc/94/39/10/654943910.db2.gz ZMIFMQGRYHVICN-ZDUSSCGKSA-N 1 0 380.290 2.861 20 0 GFADRO CCN(CC)S(=O)(=O)CC[NH2+][C@@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000132910840 654949361 /nfs/dbraw/zinc/94/93/61/654949361.db2.gz MUIGMTWAEKWRPL-CQSZACIVSA-N 1 0 379.448 2.739 20 0 GFADRO O=C(C[C@H]1CSCC[NH2+]1)NCCCc1ccc(Br)cc1F ZINC000132975392 654950768 /nfs/dbraw/zinc/95/07/68/654950768.db2.gz FFMDIASEWXOALN-ZDUSSCGKSA-N 1 0 375.307 2.732 20 0 GFADRO C[NH+](C)Cc1ccsc1C(=O)NCC(=O)Nc1ccc(Br)cc1 ZINC000268038850 654956656 /nfs/dbraw/zinc/95/66/56/654956656.db2.gz OZQUJHVRASQDMD-UHFFFAOYSA-N 1 0 396.310 2.941 20 0 GFADRO Cc1ccc(C(=O)NCC2([NH+]3CCCCC3)CCOCC2)c(Br)n1 ZINC000133516364 654965727 /nfs/dbraw/zinc/96/57/27/654965727.db2.gz XSHPGOBXSCJYAC-UHFFFAOYSA-N 1 0 396.329 2.917 20 0 GFADRO C[NH+](C)CCCCCOC(=O)[C@@H]1CCCCN1S(=O)(=O)c1cccs1 ZINC000133653295 654969639 /nfs/dbraw/zinc/96/96/39/654969639.db2.gz PCTFDJCAGPKZLA-HNNXBMFYSA-N 1 0 388.555 2.566 20 0 GFADRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)CCN2C(=S)N=NC2c2cccs2)C1 ZINC000068974624 654970742 /nfs/dbraw/zinc/97/07/42/654970742.db2.gz RUQSARCZMCULNZ-ZDUSSCGKSA-N 1 0 379.555 2.532 20 0 GFADRO COc1ccc(Br)c(C(=O)NCCC[NH2+]Cc2cscn2)c1 ZINC000068981798 654971071 /nfs/dbraw/zinc/97/10/71/654971071.db2.gz LQJRJJZIOJQGQH-UHFFFAOYSA-N 1 0 384.299 2.824 20 0 GFADRO CC(C)[N@@H+]1CCCN(CC(=O)N(C)Cc2cc(Br)cs2)CC1 ZINC000069081515 654972478 /nfs/dbraw/zinc/97/24/78/654972478.db2.gz YLKZPVOGLJSAJC-UHFFFAOYSA-N 1 0 388.375 2.885 20 0 GFADRO CC(C)Sc1ccccc1NC(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000268468164 654973299 /nfs/dbraw/zinc/97/32/99/654973299.db2.gz QMKUAVVRWFWKPO-GOSISDBHSA-N 1 0 381.567 2.679 20 0 GFADRO CC[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2ccc(Br)c(C)c2)C1 ZINC000069137331 654974580 /nfs/dbraw/zinc/97/45/80/654974580.db2.gz BLCQLYCZAFQGFW-ZDUSSCGKSA-N 1 0 375.332 2.768 20 0 GFADRO CCO[C@@H]1C[C@]([NH3+])(C(=O)Nc2ccc(I)cc2)C1(C)C ZINC000133888178 654976474 /nfs/dbraw/zinc/97/64/74/654976474.db2.gz JYAOHSRLJNWMKU-DOMZBBRYSA-N 1 0 388.249 2.762 20 0 GFADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)CCCOc1ccccc1Br ZINC000069504276 654982323 /nfs/dbraw/zinc/98/23/23/654982323.db2.gz YZOVATUTUAZWQD-HNNXBMFYSA-N 1 0 399.329 2.835 20 0 GFADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc2ccc(Br)cc2[nH]1 ZINC000069526610 654982753 /nfs/dbraw/zinc/98/27/53/654982753.db2.gz CQUCDJZOKMLKHW-CQSZACIVSA-N 1 0 380.286 2.771 20 0 GFADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)C1(c2cccc(Br)c2)CC1 ZINC000069526677 654982979 /nfs/dbraw/zinc/98/29/79/654982979.db2.gz BFBFSTOWCSUSMR-INIZCTEOSA-N 1 0 381.314 2.708 20 0 GFADRO COc1cc(C[NH2+]CCCn2cncn2)cc(Br)c1OC(F)F ZINC000069674763 654984864 /nfs/dbraw/zinc/98/48/64/654984864.db2.gz YZRCSVJKDBUDDD-UHFFFAOYSA-N 1 0 391.216 2.831 20 0 GFADRO CCN(CC)S(=O)(=O)c1cc(NC(=O)[C@@]2(CC)CCC[NH2+]2)ccc1Cl ZINC000134376226 654992267 /nfs/dbraw/zinc/99/22/67/654992267.db2.gz CZEYIXGAZGOJFE-QGZVFWFLSA-N 1 0 387.933 2.841 20 0 GFADRO [NH3+]CC[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2Cl)C1 ZINC000070170286 654992395 /nfs/dbraw/zinc/99/23/95/654992395.db2.gz AODAJTXSAKJBCM-JTQLQIEISA-N 1 0 381.723 2.852 20 0 GFADRO O=C(NCC[NH+]1CCCCC1)C(=O)Nc1ccccc1SC(F)(F)F ZINC000070841565 654995989 /nfs/dbraw/zinc/99/59/89/654995989.db2.gz QKMIWCYZSBOIBD-UHFFFAOYSA-N 1 0 375.416 2.839 20 0 GFADRO C[C@@H]([NH2+]C[C@@H](O)COc1ccc(Br)cc1)c1nnc2ccccn21 ZINC000070869413 654996300 /nfs/dbraw/zinc/99/63/00/654996300.db2.gz FVDHFIBKIDRCFN-TZMCWYRMSA-N 1 0 391.269 2.582 20 0 GFADRO C[NH2+][C@H]1CCN(C(=O)Cc2csc(-c3cc(Br)cs3)n2)C1 ZINC000269127177 654998872 /nfs/dbraw/zinc/99/88/72/654998872.db2.gz MRVRSGGIJYQREI-JTQLQIEISA-N 1 0 386.340 2.997 20 0 GFADRO C[C@@]1(CNC(=O)NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1(Cl)Cl ZINC000838670061 661052854 /nfs/dbraw/zinc/05/28/54/661052854.db2.gz JZXFYGLTBWLSAU-IRXDYDNUSA-N 1 0 386.323 2.507 20 0 GFADRO C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000134766304 655003436 /nfs/dbraw/zinc/00/34/36/655003436.db2.gz XDGFDWXPFJWWPG-YPMHNXCESA-N 1 0 376.810 2.543 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2ccc3nc(Cl)cnc3c2)[C@H](C)C1 ZINC000269474778 655010665 /nfs/dbraw/zinc/01/06/65/655010665.db2.gz CZJMRCHNEYFRJG-MLGOLLRUSA-N 1 0 382.917 2.634 20 0 GFADRO C[C@@H](C[NH+]1CCC(N(C)S(C)(=O)=O)CC1)c1cccc(Br)c1 ZINC000092530621 655013947 /nfs/dbraw/zinc/01/39/47/655013947.db2.gz PPMWGNQKQUKBMQ-ZDUSSCGKSA-N 1 0 389.359 2.908 20 0 GFADRO OCCC[N@H+](CCO)Cc1cc(Br)ccc1OCc1ccccn1 ZINC000093323761 655018356 /nfs/dbraw/zinc/01/83/56/655018356.db2.gz NAJJTVWKYWYPLH-UHFFFAOYSA-N 1 0 395.297 2.600 20 0 GFADRO COc1cc(Br)c(CN2CC[NH+](C[C@@H]3CCOC3)CC2)c(OC)c1 ZINC000093817483 655021287 /nfs/dbraw/zinc/02/12/87/655021287.db2.gz IFVMUZFVRSPIIN-AWEZNQCLSA-N 1 0 399.329 2.620 20 0 GFADRO Brc1ccc2c(c1)C=C(CN1CC[NH+](C[C@H]3CCOC3)CC1)CO2 ZINC000093817890 655021381 /nfs/dbraw/zinc/02/13/81/655021381.db2.gz ZSPFIEATDHEDKC-OAHLLOKOSA-N 1 0 393.325 2.879 20 0 GFADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(Cc2cnc(-c3ccsc3)s2)CC1 ZINC000093821150 655021410 /nfs/dbraw/zinc/02/14/10/655021410.db2.gz AZFOBKCTTGMWDR-MRXNPFEDSA-N 1 0 376.551 2.610 20 0 GFADRO O=C(CC[N@@H+]1CCOC2(CCOCC2)C1)Nc1ccc(Br)cc1 ZINC000135592661 655021862 /nfs/dbraw/zinc/02/18/62/655021862.db2.gz HGJAVGGFWAXZBK-UHFFFAOYSA-N 1 0 383.286 2.659 20 0 GFADRO CC(C)CN(C1CC[NH+](C)CC1)S(=O)(=O)c1c[nH]c2nccc(Cl)c12 ZINC000093908936 655022899 /nfs/dbraw/zinc/02/28/99/655022899.db2.gz SSQIIZFUVATSLR-UHFFFAOYSA-N 1 0 384.933 2.957 20 0 GFADRO CC(C)[N@H+]1[C@@H]2CC[C@H]1CCN(S(=O)(=O)c1c[nH]c3nccc(Cl)c13)C2 ZINC000093922029 655024066 /nfs/dbraw/zinc/02/40/66/655024066.db2.gz BCNVPJOSHOLJKV-QWHCGFSZSA-N 1 0 382.917 2.852 20 0 GFADRO C[N@H+](CCCNC(=O)c1cnn2cc(Br)cnc12)C1CCCCC1 ZINC000093924517 655024571 /nfs/dbraw/zinc/02/45/71/655024571.db2.gz VHJVXNMQYNRIAJ-UHFFFAOYSA-N 1 0 394.317 2.876 20 0 GFADRO C[NH+](C)CC[C@@H](NC(=O)c1cnn2cc(Br)cnc12)C(C)(C)C ZINC000094152990 655028553 /nfs/dbraw/zinc/02/85/53/655028553.db2.gz CWTFLUNYPVFVNJ-CYBMUJFWSA-N 1 0 382.306 2.588 20 0 GFADRO OC[C@@H](C[C@@H](O)c1ccccc1)[NH2+]Cc1cc2c(c(Br)c1)OCO2 ZINC000269968571 655029204 /nfs/dbraw/zinc/02/92/04/655029204.db2.gz WVLISEMXUQPTHM-GDBMZVCRSA-N 1 0 394.265 2.752 20 0 GFADRO C[C@@H](CCc1ccc(O)cc1)[NH2+]CCNS(=O)(=O)c1ccc(Cl)s1 ZINC000136567684 655033261 /nfs/dbraw/zinc/03/32/61/655033261.db2.gz SBMIDQBEDRZMLL-LBPRGKRZSA-N 1 0 388.942 2.996 20 0 GFADRO CCc1cc(C(=O)N(CC[NH+](C)C)Cc2ccc(Br)cc2)[nH]n1 ZINC000098036365 655038857 /nfs/dbraw/zinc/03/88/57/655038857.db2.gz VGSAOBQHHGUODV-UHFFFAOYSA-N 1 0 379.302 2.939 20 0 GFADRO Cc1ccc(C(=O)Nc2ccc(=O)n(CC[NH+](C)C)c2)cc1Br ZINC000270297601 655040393 /nfs/dbraw/zinc/04/03/93/655040393.db2.gz XXAPJOISTDXEPG-UHFFFAOYSA-N 1 0 378.270 2.733 20 0 GFADRO CC(C)OCCOC[C@@H](O)C[N@H+](C)C[C@H](O)c1ccc(Cl)cc1Cl ZINC000270344571 655041703 /nfs/dbraw/zinc/04/17/03/655041703.db2.gz RRUHIUPJIWEMLF-YOEHRIQHSA-N 1 0 380.312 2.761 20 0 GFADRO COc1cc(CN2CC[C@H](NC(=O)CSC(F)(F)F)C2)cc(OC)c1 ZINC000150770581 655046366 /nfs/dbraw/zinc/04/63/66/655046366.db2.gz GNULAFPYLJZZPL-LBPRGKRZSA-N 1 0 378.416 2.647 20 0 GFADRO C[C@@H](Cn1ccnc1)NC(=O)N1CCO[C@@H](c2ccccc2Br)C1 ZINC000101761347 655047188 /nfs/dbraw/zinc/04/71/88/655047188.db2.gz LEJPYKZTRNWKCR-XJKSGUPXSA-N 1 0 393.285 2.817 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)NCC[N@@H+](C)C(C)C ZINC000102014868 655049605 /nfs/dbraw/zinc/04/96/05/655049605.db2.gz ULEOHBDRAIQCNV-UHFFFAOYSA-N 1 0 399.333 2.726 20 0 GFADRO C[NH+](C)[C@]1(CNC(=O)Nc2nnc(/C=C/c3ccco3)s2)CCSC1 ZINC000270628232 655051438 /nfs/dbraw/zinc/05/14/38/655051438.db2.gz BWJOMCUHHZBJLQ-JFDDCEBESA-N 1 0 379.511 2.860 20 0 GFADRO C[C@H](C(=O)N1CCN(CC[NH+]2CCCC2)CC1)c1ccc(Br)cc1 ZINC000270807664 655056472 /nfs/dbraw/zinc/05/64/72/655056472.db2.gz CGQBIXLBRNGGQE-INIZCTEOSA-N 1 0 394.357 2.793 20 0 GFADRO Cc1cc(Br)cc2cc(C(=O)NCC3(O)CC[NH+](C)CC3)oc21 ZINC000271071065 655065908 /nfs/dbraw/zinc/06/59/08/655065908.db2.gz FFTUVMOIFQKKKP-UHFFFAOYSA-N 1 0 381.270 2.690 20 0 GFADRO COc1ccc(CNC(=[NH2+])NCc2ccc(O)c(Br)c2)cc1OC ZINC000153470164 655067356 /nfs/dbraw/zinc/06/73/56/655067356.db2.gz YTXAMJGWJOBRRX-UHFFFAOYSA-N 1 0 394.269 2.776 20 0 GFADRO CC(C)[N@H+](C)CCNC(=O)N[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000103313611 655071032 /nfs/dbraw/zinc/07/10/32/655071032.db2.gz VPOHCJZSZJGVPT-OAHLLOKOSA-N 1 0 383.334 2.667 20 0 GFADRO O=C(c1nccn2c(Br)cnc12)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000271293872 655074853 /nfs/dbraw/zinc/07/48/53/655074853.db2.gz PVCFCHGCJNWHMN-ZDUSSCGKSA-N 1 0 392.301 2.582 20 0 GFADRO NS(=O)(=O)C[C@H]1CCC[N@@H+]([C@H]2CCCc3ccc(Br)cc32)C1 ZINC000271385599 655078838 /nfs/dbraw/zinc/07/88/38/655078838.db2.gz KZPDUGJCGSBAOE-LRDDRELGSA-N 1 0 387.343 2.827 20 0 GFADRO C[NH+](C)CC(C)(C)CNC(=O)[C@@H]1CSCN1C(=O)c1ccc(Cl)cc1 ZINC000104214057 655079755 /nfs/dbraw/zinc/07/97/55/655079755.db2.gz PVVOZRLCBGAWHJ-HNNXBMFYSA-N 1 0 383.945 2.559 20 0 GFADRO C[C@@H](NC(=O)c1ccc(CS(=O)(=O)C(F)F)cc1)C(C)(C)C[NH+](C)C ZINC000155058558 655080572 /nfs/dbraw/zinc/08/05/72/655080572.db2.gz WXVFOBCSBXUBSM-GFCCVEGCSA-N 1 0 376.469 2.530 20 0 GFADRO C[C@@H]([NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1)c1ccc(OCC(F)(F)F)cc1 ZINC000271477714 655082708 /nfs/dbraw/zinc/08/27/08/655082708.db2.gz IGMYPBBSERYMLP-OLZOCXBDSA-N 1 0 380.432 2.560 20 0 GFADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)Nc1ccc(Br)c2ccccc12 ZINC000271543418 655085101 /nfs/dbraw/zinc/08/51/01/655085101.db2.gz IDFKDZOUFOSKIX-CYBMUJFWSA-N 1 0 391.313 2.970 20 0 GFADRO CC[C@H](CS(=O)(=O)c1ccccc1)[NH2+]C1CCN(c2nccs2)CC1 ZINC000271562882 655085479 /nfs/dbraw/zinc/08/54/79/655085479.db2.gz XDBFCPJTWCUTRA-OAHLLOKOSA-N 1 0 379.551 2.954 20 0 GFADRO COCCN(CC[NH+](C)C)C(=O)Nc1c(C)cc(Br)cc1OC ZINC000104771747 655086683 /nfs/dbraw/zinc/08/66/83/655086683.db2.gz QECVKKQVMOOZII-UHFFFAOYSA-N 1 0 388.306 2.808 20 0 GFADRO CCCC[N@H+](C)CCNC(=O)c1ccnc(Cl)c1I ZINC000156575789 655093989 /nfs/dbraw/zinc/09/39/89/655093989.db2.gz NZYJUJZOKOMKGP-UHFFFAOYSA-N 1 0 395.672 2.801 20 0 GFADRO COC(=O)c1cc(S(=O)(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)ccc1Cl ZINC000156846451 655096594 /nfs/dbraw/zinc/09/65/94/655096594.db2.gz GEFWYEVLLANGPK-CYBMUJFWSA-N 1 0 388.917 2.622 20 0 GFADRO O=S1(=O)CC[C@@]2(C1)C[C@H]([NH2+]Cc1cnc(-c3ccccc3)s1)CCO2 ZINC000271978424 655099974 /nfs/dbraw/zinc/09/99/74/655099974.db2.gz JAUNMQZTFJLQOM-QAPCUYQASA-N 1 0 378.519 2.636 20 0 GFADRO CC(C)[C@H](C(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)[NH+](C)C ZINC000106408371 655108430 /nfs/dbraw/zinc/10/84/30/655108430.db2.gz GMBLLFNENUMLQD-MRXNPFEDSA-N 1 0 387.933 2.649 20 0 GFADRO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000272310169 655108531 /nfs/dbraw/zinc/10/85/31/655108531.db2.gz RRXBDJHXDCGUHQ-WDEREUQCSA-N 1 0 379.254 2.673 20 0 GFADRO CN(CCC[NH3+])C(=O)c1ccccc1N(C)C(=O)c1ccc(Br)o1 ZINC000158813381 655109564 /nfs/dbraw/zinc/10/95/64/655109564.db2.gz MTCYCBGADRJREJ-UHFFFAOYSA-N 1 0 394.269 2.740 20 0 GFADRO CC[N@@H+]1CCC[C@@H](NC(=O)c2ccn(-c3cccc(Br)c3)n2)C1 ZINC000106773686 655111011 /nfs/dbraw/zinc/11/10/11/655111011.db2.gz PLDULCPVSUJJLY-CQSZACIVSA-N 1 0 377.286 2.849 20 0 GFADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)c1sccc1SC(F)F ZINC000107242311 655119034 /nfs/dbraw/zinc/11/90/34/655119034.db2.gz CVJGXBZYMJMYIM-LLVKDONJSA-N 1 0 391.509 2.735 20 0 GFADRO O=S1(=O)CC[C@]2(C1)C[C@H]([NH2+]Cc1ccc(SC(F)F)cc1)CCO2 ZINC000272690273 655119199 /nfs/dbraw/zinc/11/91/99/655119199.db2.gz DFBXVHJSTLFXPB-CZUORRHYSA-N 1 0 377.478 2.827 20 0 GFADRO C[C@@H](C[NH+]1CCCCC1)NC(=O)c1csc(I)c1 ZINC000107553267 655122378 /nfs/dbraw/zinc/12/23/78/655122378.db2.gz RYZQOFPUVNTKNC-JTQLQIEISA-N 1 0 378.279 2.957 20 0 GFADRO CC[N@@H+]1CC[C@H](CNC(=O)c2[nH]nc(-c3ccccc3)c2Br)C1 ZINC000107887931 655126028 /nfs/dbraw/zinc/12/60/28/655126028.db2.gz KRXPYYVJOABGJD-GFCCVEGCSA-N 1 0 377.286 2.911 20 0 GFADRO O=C(NC[C@@H]1CC[NH2+]C1)c1ccc(Oc2cccc(Br)c2)nc1 ZINC000272968246 655126941 /nfs/dbraw/zinc/12/69/41/655126941.db2.gz BBXRPMRHJXJYDD-GFCCVEGCSA-N 1 0 376.254 2.976 20 0 GFADRO C[C@H]1CCC[C@](CNC(=O)c2sccc2S(=O)(=O)C(F)F)([NH+](C)C)C1 ZINC000108260913 655130238 /nfs/dbraw/zinc/13/02/38/655130238.db2.gz MYQBQGRACAZRLV-ZBEGNZNMSA-N 1 0 394.509 2.985 20 0 GFADRO C[N@@H+]1CCC[C@@H](CNC(=O)C2(c3ccc(Br)cc3)CCOCC2)C1 ZINC000108344591 655131676 /nfs/dbraw/zinc/13/16/76/655131676.db2.gz LHRJTTBPPQLSQZ-HNNXBMFYSA-N 1 0 395.341 2.955 20 0 GFADRO C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)C1 ZINC000108344989 655131737 /nfs/dbraw/zinc/13/17/37/655131737.db2.gz RCWQQWHMJYVDEG-OCCSQVGLSA-N 1 0 384.307 2.804 20 0 GFADRO COc1cc(C[NH2+]CCc2sc(C)nc2C)cc(Cl)c1OCC(N)=O ZINC000108427093 655132587 /nfs/dbraw/zinc/13/25/87/655132587.db2.gz RSJHKLUXDHFVAN-UHFFFAOYSA-N 1 0 383.901 2.618 20 0 GFADRO O=S(=O)(CCC[NH2+][C@@H](CO)c1ccc(Br)cc1)c1ccccc1 ZINC000273151360 655132664 /nfs/dbraw/zinc/13/26/64/655132664.db2.gz XEEQYRSVZCHSAM-KRWDZBQOSA-N 1 0 398.322 2.936 20 0 GFADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)CS(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000108610438 655135777 /nfs/dbraw/zinc/13/57/77/655135777.db2.gz ABZHSFHZRWSPKF-GASCZTMLSA-N 1 0 386.945 2.598 20 0 GFADRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cnn(C)c1Br ZINC000273267917 655137172 /nfs/dbraw/zinc/13/71/72/655137172.db2.gz USQIAZKZDKXDMP-OAHLLOKOSA-N 1 0 391.313 2.777 20 0 GFADRO Cn1ncc(C(=O)N2CCC[N@H+](Cc3ccccc3)CC2)c1Br ZINC000273275782 655137558 /nfs/dbraw/zinc/13/75/58/655137558.db2.gz PIFBAGOBXAGDCV-UHFFFAOYSA-N 1 0 377.286 2.531 20 0 GFADRO C[C@@H]1CN(CCCC[NH2+]Cc2c(Cl)cccc2S(C)(=O)=O)C[C@@H](C)O1 ZINC000273480503 655145001 /nfs/dbraw/zinc/14/50/01/655145001.db2.gz SNQCUQSLYGKDIF-HUUCEWRRSA-N 1 0 388.961 2.723 20 0 GFADRO CS[C@H]1CN(C(=O)CSCC(=O)c2ccccc2)C[C@H]1[NH+]1CCCC1 ZINC000273503073 655145817 /nfs/dbraw/zinc/14/58/17/655145817.db2.gz MLIDFJYTVVAWJF-AEFFLSMTSA-N 1 0 378.563 2.641 20 0 GFADRO COC(=O)C(C)(C)CC[NH2+][C@@H](CO)c1ccccc1I ZINC000934828364 664925632 /nfs/dbraw/zinc/92/56/32/664925632.db2.gz PNPANQVGQZIJBI-ZDUSSCGKSA-N 1 0 391.249 2.504 20 0 GFADRO CCOC(=O)[C@@H](C)[C@@H](C)[NH2+]CC(=O)Nc1ccc(Br)cc1F ZINC000273915317 655164031 /nfs/dbraw/zinc/16/40/31/655164031.db2.gz AVGPXMFGMKZJBQ-VHSXEESVSA-N 1 0 375.238 2.704 20 0 GFADRO Cn1cc(N2CC[C@@H]([NH2+][C@H]3CCc4c3cccc4Br)C2=O)cn1 ZINC000111373790 655171955 /nfs/dbraw/zinc/17/19/55/655171955.db2.gz BAMIJQSIZAFMAV-JKSUJKDBSA-N 1 0 375.270 2.565 20 0 GFADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)N(C)Cc1ccc(Br)s1 ZINC000111865996 655178213 /nfs/dbraw/zinc/17/82/13/655178213.db2.gz DKWNIWNOGCNRPO-LBPRGKRZSA-N 1 0 390.347 2.763 20 0 GFADRO C[C@H]1C[C@@H](NC(=O)c2cnn(C)c2Br)C[N@@H+]1Cc1ccccc1 ZINC000274194023 655178352 /nfs/dbraw/zinc/17/83/52/655178352.db2.gz LDILJLIOBURQRU-GXTWGEPZSA-N 1 0 377.286 2.575 20 0 GFADRO OC[C@@H]1CCN(Cc2ccccc2)C[C@H]1[NH2+]Cc1cncc(Br)c1 ZINC000274301568 655184354 /nfs/dbraw/zinc/18/43/54/655184354.db2.gz FRPOHCDQKZFZJG-PKOBYXMFSA-N 1 0 390.325 2.817 20 0 GFADRO CC[N@H+](C)C[C@H]1CCN(CC(=O)Nc2c(F)cc(F)cc2Br)C1 ZINC000173911149 655184849 /nfs/dbraw/zinc/18/48/49/655184849.db2.gz ORQQLONGJDYTNB-LLVKDONJSA-N 1 0 390.272 2.939 20 0 GFADRO C[C@H](Cc1cccc(Br)c1)NC(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000173910860 655184978 /nfs/dbraw/zinc/18/49/78/655184978.db2.gz NDVUFRXHPCKRBB-CYBMUJFWSA-N 1 0 394.317 2.960 20 0 GFADRO CC[NH+](CC)[C@H]1CCN(S(=O)(=O)c2cc(Br)c(F)cc2F)C1 ZINC000173995743 655188822 /nfs/dbraw/zinc/18/88/22/655188822.db2.gz HXHOIWQXWYIKBJ-JTQLQIEISA-N 1 0 397.285 2.832 20 0 GFADRO CC[C@@H](C)[C@@H](O)C[NH2+]Cc1cc(I)c(OC)c(OC)c1 ZINC000112380762 655190559 /nfs/dbraw/zinc/19/05/59/655190559.db2.gz CKNIPIFPOWUWSK-MFKMUULPSA-N 1 0 393.265 2.805 20 0 GFADRO COC(=O)C1=C(C)O[C@@H](C[N@H+](C)C[C@@H](O)c2cccc(Br)c2)C1 ZINC000839637601 661097408 /nfs/dbraw/zinc/09/74/08/661097408.db2.gz BNLZCHFJVXNURW-GDBMZVCRSA-N 1 0 384.270 2.650 20 0 GFADRO CC[NH+](CC)[C@H]1CCN(C(=O)c2ccc(S(=O)(=O)C(F)(F)F)cc2)C1 ZINC000174125173 655192705 /nfs/dbraw/zinc/19/27/05/655192705.db2.gz PLLPLHHRIXKVLC-ZDUSSCGKSA-N 1 0 378.416 2.536 20 0 GFADRO Brc1cnc2c(c1)nccc2N1CC[NH+](CC2CCOCC2)CC1 ZINC000274685616 655197246 /nfs/dbraw/zinc/19/72/46/655197246.db2.gz YGANSWKOEUXIIZ-UHFFFAOYSA-N 1 0 391.313 2.941 20 0 GFADRO COc1c(Br)cccc1CNC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000274734965 655199111 /nfs/dbraw/zinc/19/91/11/655199111.db2.gz BNDYBSMLVMUECE-DLBZAZTESA-N 1 0 383.330 2.925 20 0 GFADRO CC[NH+]1CCN([C@H](C)CNC(=O)[C@@H](C)Oc2cccc(Cl)c2Cl)CC1 ZINC000112917529 655199748 /nfs/dbraw/zinc/19/97/48/655199748.db2.gz MTZIQPITPRGLAP-ZIAGYGMSSA-N 1 0 388.339 2.903 20 0 GFADRO CC[N@H+](C)CCNC(=O)c1ccc(NC(=O)c2ccc(Br)o2)cc1 ZINC000112925627 655199823 /nfs/dbraw/zinc/19/98/23/655199823.db2.gz ARTRVHRXNMBCGU-UHFFFAOYSA-N 1 0 394.269 2.976 20 0 GFADRO CC[NH+]1CCN([C@H](C)CNc2ncnc3ccc(Br)cc32)CC1 ZINC000112964679 655200501 /nfs/dbraw/zinc/20/05/01/655200501.db2.gz KYJVYTHTYXTITC-CYBMUJFWSA-N 1 0 378.318 2.830 20 0 GFADRO C[C@@H](CNC(=O)NCCc1cc(Cl)cc(Cl)c1)C[NH+]1CCN(C)CC1 ZINC000174375314 655200519 /nfs/dbraw/zinc/20/05/19/655200519.db2.gz CRQHONZLOFNQKL-AWEZNQCLSA-N 1 0 387.355 2.719 20 0 GFADRO COC(=O)[C@@H]1CC12CC[NH+](C[C@@H](O)c1ccc(F)c(Br)c1)CC2 ZINC000274806289 655202635 /nfs/dbraw/zinc/20/26/35/655202635.db2.gz STQKIIIFJOSAOR-SWLSCSKDSA-N 1 0 386.261 2.897 20 0 GFADRO CC[C@@H]1CN(C(=O)c2[nH]c3ccccc3c2Br)CC[N@@H+]1C[C@@H](C)O ZINC000174593479 655204632 /nfs/dbraw/zinc/20/46/32/655204632.db2.gz WZRWKJVBCCUNFS-CHWSQXEVSA-N 1 0 394.313 2.848 20 0 GFADRO C[N@H+]1[C@@H]2CC[C@H]1CCN(C(=O)Nc1ccc(I)cc1)C2 ZINC000174750768 655207585 /nfs/dbraw/zinc/20/75/85/655207585.db2.gz TZBDNJOLJRMHLE-UONOGXRCSA-N 1 0 385.249 2.992 20 0 GFADRO CC(=O)N1CCC([NH2+]CCC(=O)Nc2cc(Br)ccc2C)CC1 ZINC000113353694 655208309 /nfs/dbraw/zinc/20/83/09/655208309.db2.gz KKNONJBBSWTTLF-UHFFFAOYSA-N 1 0 382.302 2.687 20 0 GFADRO C[NH+](C)C[C@H]1CCN(Cc2csc(-c3ccc(S(C)(=O)=O)cc3)n2)C1 ZINC000113512563 655211851 /nfs/dbraw/zinc/21/18/51/655211851.db2.gz MRIAUDZOPYSNDT-CQSZACIVSA-N 1 0 379.551 2.597 20 0 GFADRO Cn1c2cc(Br)ccc2nc1C[N@@H+]1CCC[C@H](C2OCCO2)C1 ZINC000275106246 655217142 /nfs/dbraw/zinc/21/71/42/655217142.db2.gz MGEBHGODTNJHMJ-LBPRGKRZSA-N 1 0 380.286 2.921 20 0 GFADRO Cc1sc(Br)nc1C(=O)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000839514683 661089402 /nfs/dbraw/zinc/08/94/02/661089402.db2.gz HGZSQPOLDGEVHK-LBPRGKRZSA-N 1 0 388.331 2.541 20 0 GFADRO C[NH+](C)C1(CNS(=O)(=O)c2ccc(SC(F)(F)F)cc2)CCOCC1 ZINC000114211307 655218499 /nfs/dbraw/zinc/21/84/99/655218499.db2.gz FNYNNJPSXRSODR-UHFFFAOYSA-N 1 0 398.472 2.688 20 0 GFADRO Cc1csc(C2([NH2+]C[C@](C)(O)c3ccc(S(C)(=O)=O)cc3)CCC2)n1 ZINC000275186091 655221803 /nfs/dbraw/zinc/22/18/03/655221803.db2.gz NYROWIQHHRITNY-KRWDZBQOSA-N 1 0 380.535 2.732 20 0 GFADRO C[NH+](C)C[C@H]1CCN(C(=O)[C@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)C1 ZINC000114398889 655223329 /nfs/dbraw/zinc/22/33/29/655223329.db2.gz HHRXUVUMRLTHFE-TZMCWYRMSA-N 1 0 384.307 2.756 20 0 GFADRO O=C(/C=C/c1csc(Br)c1)N1CC[NH+](C2CCOCC2)CC1 ZINC000175844132 655228489 /nfs/dbraw/zinc/22/84/89/655228489.db2.gz CDBVWMXBTDSRSY-OWOJBTEDSA-N 1 0 385.327 2.847 20 0 GFADRO C[C@H]([NH2+]C[C@H]1CCn2ncc(C(N)=O)c2C1)c1ccccc1Br ZINC000275365959 655232120 /nfs/dbraw/zinc/23/21/20/655232120.db2.gz BNMZTSISQKMPEA-RYUDHWBXSA-N 1 0 377.286 2.658 20 0 GFADRO CC(C)C[C@@H](CNC(=O)C(=O)Nc1c(F)cccc1Br)[NH+](C)C ZINC000176073031 655233760 /nfs/dbraw/zinc/23/37/60/655233760.db2.gz KKWXFWZXJSGRKM-NSHDSACASA-N 1 0 388.281 2.619 20 0 GFADRO O=C(NCC[NH+]1CCCCCC1)C(=O)Nc1c(F)cccc1Br ZINC000176073974 655233975 /nfs/dbraw/zinc/23/39/75/655233975.db2.gz NMFBGBQICUYYKO-UHFFFAOYSA-N 1 0 386.265 2.519 20 0 GFADRO CC(C)(C)[NH+]1CCC(NC(=O)c2cc(I)c[nH]2)CC1 ZINC000115339890 655235656 /nfs/dbraw/zinc/23/56/56/655235656.db2.gz GYBHLLTWWDKCGJ-UHFFFAOYSA-N 1 0 375.254 2.612 20 0 GFADRO C[C@H](CNC(=O)c1cc(I)c[nH]1)[N@H+](C)Cc1ccccc1 ZINC000115379432 655236645 /nfs/dbraw/zinc/23/66/45/655236645.db2.gz HFHQDSIGXZFIGL-GFCCVEGCSA-N 1 0 397.260 2.870 20 0 GFADRO O[C@@H](C[NH+]1CCC([C@@H](O)c2ncc[nH]2)CC1)c1ccc(Br)cc1 ZINC000839577963 661093212 /nfs/dbraw/zinc/09/32/12/661093212.db2.gz OUEFBWCOSWBKFW-JKSUJKDBSA-N 1 0 380.286 2.651 20 0 GFADRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)c1cc(Br)c2c(c1)OCCO2 ZINC000115442947 655237648 /nfs/dbraw/zinc/23/76/48/655237648.db2.gz KVGBNJXWAAWPLS-GFCCVEGCSA-N 1 0 383.286 2.634 20 0 GFADRO CC1(C)C[N@H+](C[C@@H](O)COc2ccc(Cl)cc2Br)CC[C@@H]1O ZINC000275507216 655239453 /nfs/dbraw/zinc/23/94/53/655239453.db2.gz SBNOPJOOMHXBCI-DOMZBBRYSA-N 1 0 392.721 2.935 20 0 GFADRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)NCCOc1ccc(Br)cc1 ZINC000115812631 655242564 /nfs/dbraw/zinc/24/25/64/655242564.db2.gz DUMQHDVIMXSMQZ-AWEZNQCLSA-N 1 0 384.318 2.811 20 0 GFADRO COc1cc(C[NH2+][C@H]2CCCO[C@@H]2c2nccn2C)cc(Br)c1O ZINC000275580158 655242665 /nfs/dbraw/zinc/24/26/65/655242665.db2.gz OZMRQNQQYWRTFT-BBRMVZONSA-N 1 0 396.285 2.907 20 0 GFADRO C[C@](O)(CNC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1)c1ccccc1Cl ZINC000839724583 661102867 /nfs/dbraw/zinc/10/28/67/661102867.db2.gz JFTQWGAWKAFCNL-BEFAXECRSA-N 1 0 382.957 2.881 20 0 GFADRO Cc1ccc([C@@H](CNC(=O)c2[nH]nc(C)c2Br)[NH+]2CCCC2)o1 ZINC000116592538 655249851 /nfs/dbraw/zinc/24/98/51/655249851.db2.gz QOSXYBGYUJORLI-GFCCVEGCSA-N 1 0 381.274 2.949 20 0 GFADRO CCCn1cc(C[NH2+]CCCNC(=O)c2ccc(Br)cc2)cn1 ZINC000116915910 655256938 /nfs/dbraw/zinc/25/69/38/655256938.db2.gz PNRUILBOLMCSDL-UHFFFAOYSA-N 1 0 379.302 2.965 20 0 GFADRO CS(=O)(=O)N[C@H]1CCC[N@H+](CC/C=C/c2ccc(Br)cc2)C1 ZINC000117335490 655264507 /nfs/dbraw/zinc/26/45/07/655264507.db2.gz BEAFPCBNANGYFU-AUYOJAJCSA-N 1 0 387.343 2.866 20 0 GFADRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)CCN2C(=S)N=NC2c2cccs2)C1 ZINC000839791631 661107411 /nfs/dbraw/zinc/10/74/11/661107411.db2.gz JSRAMBZQVNAJAU-CYBMUJFWSA-N 1 0 379.555 2.627 20 0 GFADRO CCCN(CCC[NH+](C)C)C(=O)c1ccc(CS(=O)(=O)C(F)F)cc1 ZINC000276304275 655270739 /nfs/dbraw/zinc/27/07/39/655270739.db2.gz YQNCMNWVZNEIBJ-UHFFFAOYSA-N 1 0 376.469 2.628 20 0 GFADRO CCC(CC)[C@H](CNC(=O)C(=O)Nc1ccccc1Br)[NH+](C)C ZINC000118098000 655271643 /nfs/dbraw/zinc/27/16/43/655271643.db2.gz DTOBYAHNSCRFTL-HNNXBMFYSA-N 1 0 384.318 2.870 20 0 GFADRO CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)Nc1ccc(C)cc1Br ZINC000118125022 655272072 /nfs/dbraw/zinc/27/20/72/655272072.db2.gz JGEHELQLDMCXMB-ZDUSSCGKSA-N 1 0 382.302 2.687 20 0 GFADRO CCCC[N@H+](C)CCNC(=O)C(=O)Nc1ccc(Br)cc1Cl ZINC000118114285 655272089 /nfs/dbraw/zinc/27/20/89/655272089.db2.gz HNVNXMPKKNJSBH-UHFFFAOYSA-N 1 0 390.709 2.889 20 0 GFADRO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1c(C)cc(Br)cc1C ZINC000118117683 655272115 /nfs/dbraw/zinc/27/21/15/655272115.db2.gz ZIPBZVJOTPITCK-ZDUSSCGKSA-N 1 0 384.318 2.851 20 0 GFADRO CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)Nc1ccc(Br)cc1F ZINC000118127182 655272417 /nfs/dbraw/zinc/27/24/17/655272417.db2.gz SOSSNEYTEQUESD-LBPRGKRZSA-N 1 0 386.265 2.517 20 0 GFADRO Cc1ccc(Br)cc1CNC(=O)NCC1(O)CC[NH+](C(C)C)CC1 ZINC000276358118 655272778 /nfs/dbraw/zinc/27/27/78/655272778.db2.gz YWUGAIWWFHRTFH-UHFFFAOYSA-N 1 0 398.345 2.792 20 0 GFADRO CS(=O)(=O)N[C@H]1CCC[N@H+](CCSc2ccnc3cc(Cl)ccc32)C1 ZINC000177427935 655276633 /nfs/dbraw/zinc/27/66/33/655276633.db2.gz UKLGAHPGCLCEMB-AWEZNQCLSA-N 1 0 399.969 2.994 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)c2cc(Br)c3c(c2)OCCO3)C1 ZINC000177523108 655279445 /nfs/dbraw/zinc/27/94/45/655279445.db2.gz NYORXKSTDGFALE-CHWSQXEVSA-N 1 0 383.286 2.823 20 0 GFADRO CC[NH+]1CCN([C@@H]2CCN(CC(=O)Nc3c(Cl)cccc3Cl)C2)CC1 ZINC000118835207 655282673 /nfs/dbraw/zinc/28/26/73/655282673.db2.gz PYIIGANKLWHTCF-CQSZACIVSA-N 1 0 385.339 2.644 20 0 GFADRO C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)C1 ZINC000118898334 655283213 /nfs/dbraw/zinc/28/32/13/655283213.db2.gz AKILQWOAVSDAGA-JTQLQIEISA-N 1 0 377.794 2.755 20 0 GFADRO CCN(CCOc1ccc(Br)cc1)C(=O)[C@@H]([NH3+])CCSC ZINC000119041249 655287819 /nfs/dbraw/zinc/28/78/19/655287819.db2.gz PNFMUUFSCWOUGB-AWEZNQCLSA-N 1 0 375.332 2.757 20 0 GFADRO O=S(=O)(CC[NH2+][C@@H]1CSCCc2ccccc21)NCc1ccccc1 ZINC000177772263 655288381 /nfs/dbraw/zinc/28/83/81/655288381.db2.gz GIFVYZXZMJPJLF-LJQANCHMSA-N 1 0 376.547 2.726 20 0 GFADRO Cc1cc(NC(=O)C[N@@H+]2CCC[C@H](Cn3ccnn3)C2)ccc1Br ZINC000119115115 655291062 /nfs/dbraw/zinc/29/10/62/655291062.db2.gz MCVMCJYEBIQPJM-AWEZNQCLSA-N 1 0 392.301 2.700 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)[C@@]1(C)CCC[NH2+]C1 ZINC000119119979 655291334 /nfs/dbraw/zinc/29/13/34/655291334.db2.gz WGVOWBSUTAQAOD-KRWDZBQOSA-N 1 0 382.302 2.592 20 0 GFADRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)C(=O)Nc2ccc(F)cc2Br)C1 ZINC000178005989 655295127 /nfs/dbraw/zinc/29/51/27/655295127.db2.gz KDATWLNKBKJIBZ-RYUDHWBXSA-N 1 0 386.265 2.516 20 0 GFADRO CC(C)C[C@@H](C[NH+](C)C)NC(=O)NCc1ccc(S(C)(=O)=O)c(Cl)c1 ZINC000276983978 655296459 /nfs/dbraw/zinc/29/64/59/655296459.db2.gz HEZXIVNSXAZAQU-AWEZNQCLSA-N 1 0 389.949 2.519 20 0 GFADRO CC(C)(C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccc(Br)cc1 ZINC000178090240 655297358 /nfs/dbraw/zinc/29/73/58/655297358.db2.gz KVFUJTMYBBJNBK-HNNXBMFYSA-N 1 0 395.341 2.907 20 0 GFADRO CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(C(F)(F)F)cc2Cl)CC1 ZINC000119306738 655298017 /nfs/dbraw/zinc/29/80/17/655298017.db2.gz JGHABOJKHAFZOF-UHFFFAOYSA-N 1 0 377.794 2.898 20 0 GFADRO O=C(NCC[NH+]1CCCCC1)c1cc(I)c(F)cc1F ZINC000119355935 655300429 /nfs/dbraw/zinc/30/04/29/655300429.db2.gz JZQUDNASKYVRQW-UHFFFAOYSA-N 1 0 394.203 2.785 20 0 GFADRO C[NH+](C)C1(C(=O)NC[C@@H]2CCN(c3cccc(Br)c3)C2)CCC1 ZINC000119365535 655300859 /nfs/dbraw/zinc/30/08/59/655300859.db2.gz ZXLMVZWZMNIBFL-AWEZNQCLSA-N 1 0 380.330 2.876 20 0 GFADRO C[NH+](C)CCn1cc(NC(=O)c2cccc(Br)c2F)ccc1=O ZINC000277074550 655301846 /nfs/dbraw/zinc/30/18/46/655301846.db2.gz TUAQWUPTZQHNMZ-UHFFFAOYSA-N 1 0 382.233 2.564 20 0 GFADRO COc1ccc(Br)c(CC(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)c1 ZINC000119390909 655302248 /nfs/dbraw/zinc/30/22/48/655302248.db2.gz OLGITTRERZJQJQ-CXAGYDPISA-N 1 0 381.314 2.943 20 0 GFADRO Cc1c(Br)cccc1NC(=O)C(=O)N1CCC[C@@H]([NH+](C)C)CC1 ZINC000277090984 655302929 /nfs/dbraw/zinc/30/29/29/655302929.db2.gz KEVOSFLOJIKDQI-CYBMUJFWSA-N 1 0 382.302 2.639 20 0 GFADRO C[NH+](C)C[C@H]1CCN(S(=O)(=O)c2cccc(Cl)c2Br)C1 ZINC000277098041 655303394 /nfs/dbraw/zinc/30/33/94/655303394.db2.gz SROOFJGYTKPLHL-SNVBAGLBSA-N 1 0 381.723 2.675 20 0 GFADRO C[NH+](C)[C@@H]1CCCN(C(=O)c2c(F)cccc2I)CC1 ZINC000277114129 655304098 /nfs/dbraw/zinc/30/40/98/655304098.db2.gz DSHZAUIVUNNQFK-LLVKDONJSA-N 1 0 390.240 2.987 20 0 GFADRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]CCS(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000178853642 655310269 /nfs/dbraw/zinc/31/02/69/655310269.db2.gz XYZCDSNWPVQUQB-AWEZNQCLSA-N 1 0 388.917 2.713 20 0 GFADRO O=C(Nc1ccc(Br)cc1)C1CC[NH+]([C@@H]2CCCCNC2=O)CC1 ZINC000119816511 655316557 /nfs/dbraw/zinc/31/65/57/655316557.db2.gz JUXZUCFQVBCPOP-MRXNPFEDSA-N 1 0 394.313 2.768 20 0 GFADRO CC[N@H+](CCC(=O)OC)C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000119906693 655320616 /nfs/dbraw/zinc/32/06/16/655320616.db2.gz VIJMQBHTRXGVRB-GFCCVEGCSA-N 1 0 394.693 2.727 20 0 GFADRO COc1cc(Br)c(CNCCC[N@@H+]2CCCO[C@H](C)C2)cc1O ZINC000277475235 655321776 /nfs/dbraw/zinc/32/17/76/655321776.db2.gz MJJWEJHVBAQTHA-CYBMUJFWSA-N 1 0 387.318 2.754 20 0 GFADRO CC[NH+](CC)[C@H](C)CNS(=O)(=O)c1ccc(Br)c(C(C)=O)c1 ZINC000180177395 655323224 /nfs/dbraw/zinc/32/32/24/655323224.db2.gz SCGPYKYIJCFCOM-LLVKDONJSA-N 1 0 391.331 2.660 20 0 GFADRO CC[NH+](CC)[C@@H](CNC(=O)C(=O)Nc1ccc(Cl)nc1)c1ccsc1 ZINC000119990076 655324162 /nfs/dbraw/zinc/32/41/62/655324162.db2.gz LETURPCUUIHKRR-AWEZNQCLSA-N 1 0 380.901 2.934 20 0 GFADRO CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)NNc1cc[nH+]cc1 ZINC000180472890 655327108 /nfs/dbraw/zinc/32/71/08/655327108.db2.gz XRJIOKHKKFTGND-HNNXBMFYSA-N 1 0 378.885 2.730 20 0 GFADRO CC[C@@H]([NH2+]C[C@@H](O)c1ccc(C)o1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000280761103 655330735 /nfs/dbraw/zinc/33/07/35/655330735.db2.gz FLCBJISUFVRFOA-HUUCEWRRSA-N 1 0 386.901 2.924 20 0 GFADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3c[nH]c4ncc(Br)cc34)CC[C@H]21 ZINC000280981301 655331618 /nfs/dbraw/zinc/33/16/18/655331618.db2.gz AKTGTPRIDAGPBW-IAQYHMDHSA-N 1 0 377.286 2.882 20 0 GFADRO C[C@H]1C[C@@H](NCc2nnc(-c3ccc(Br)cc3)[nH]2)C[N@@H+]1C1CC1 ZINC000120487639 655337018 /nfs/dbraw/zinc/33/70/18/655337018.db2.gz POXWPXGAOHGFQE-SMDDNHRTSA-N 1 0 376.302 2.949 20 0 GFADRO C[C@H]1C[C@@H](N(C)S(=O)(=O)c2cccc(Br)c2F)CC[N@@H+]1C ZINC000281783141 655337130 /nfs/dbraw/zinc/33/71/30/655337130.db2.gz GSSRRSNDJBWWNV-QWRGUYRKSA-N 1 0 379.295 2.691 20 0 GFADRO C[C@@H]([NH2+]C[C@@]1(C)CCCS1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000120497892 655337370 /nfs/dbraw/zinc/33/73/70/655337370.db2.gz SUOXNVHWOBMPJD-CRAIPNDOSA-N 1 0 384.567 2.644 20 0 GFADRO C[C@H]([NH2+]C[C@@H]1CCCN(S(C)(=O)=O)C1)c1cccc(OC(F)(F)F)c1 ZINC000181903603 655341203 /nfs/dbraw/zinc/34/12/03/655341203.db2.gz MGYPEGKAOWBUSY-STQMWFEESA-N 1 0 380.432 2.907 20 0 GFADRO OCCC[N@@H+](Cc1ccc(Cl)c(Cl)c1)C[C@@H](O)COC1CCOCC1 ZINC000120815498 655344410 /nfs/dbraw/zinc/34/44/10/655344410.db2.gz IZKQFKJLYSLFHS-OAHLLOKOSA-N 1 0 392.323 2.734 20 0 GFADRO CCCN(CC[NH+](CC)CC)C(=O)c1cnn2cc(Br)cnc12 ZINC000120821914 655344680 /nfs/dbraw/zinc/34/46/80/655344680.db2.gz RTMHCSYSDQVILF-UHFFFAOYSA-N 1 0 382.306 2.686 20 0 GFADRO C[C@H](O)c1ncc(C[NH2+]C[C@@H](O)COc2cccc(C(F)(F)F)c2)s1 ZINC000289274460 655345252 /nfs/dbraw/zinc/34/52/52/655345252.db2.gz NVVIGUBSTJTESX-CMPLNLGQSA-N 1 0 376.400 2.745 20 0 GFADRO Cc1cc(C(C)(C)NC(=O)NC[C@@H]2C[N@@H+](C)CCN2C)ccc1Br ZINC000291064694 655350185 /nfs/dbraw/zinc/35/01/85/655350185.db2.gz RRDKZOHIOVSZID-OAHLLOKOSA-N 1 0 397.361 2.538 20 0 GFADRO Cn1c(Cl)c(Cl)cc1C(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000183426073 655351276 /nfs/dbraw/zinc/35/12/76/655351276.db2.gz UENWDNUDVHINHL-AWEZNQCLSA-N 1 0 382.291 2.829 20 0 GFADRO FC(F)(F)COCCC[NH+]1CCN(Cc2ccnc(Br)c2)CC1 ZINC000293623352 655360212 /nfs/dbraw/zinc/36/02/12/655360212.db2.gz WHCDZCSFQNZBDH-UHFFFAOYSA-N 1 0 396.251 2.931 20 0 GFADRO OCC1([C@@H]([NH2+]Cc2cc3c(c(Br)c2)OCO3)C2CC2)CCOCC1 ZINC000293644821 655360788 /nfs/dbraw/zinc/36/07/88/655360788.db2.gz MMFZVPJRMDQBBX-KRWDZBQOSA-N 1 0 398.297 2.835 20 0 GFADRO CCCS(=O)(=O)N1CCC([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000185273789 655363373 /nfs/dbraw/zinc/36/33/73/655363373.db2.gz OVOIZVRGOQQLSE-UHFFFAOYSA-N 1 0 375.878 2.542 20 0 GFADRO C[NH+](C)CC1(CNC(=O)NNC(=O)c2cccc(Br)c2)CCCC1 ZINC000185730933 655366030 /nfs/dbraw/zinc/36/60/30/655366030.db2.gz UPQBLCNLTFEHDF-UHFFFAOYSA-N 1 0 397.317 2.515 20 0 GFADRO CCO[C@H]1C[C@@](CO)([NH2+]Cc2cc(Br)cc(OC)c2O)C1(C)C ZINC000186577677 655370147 /nfs/dbraw/zinc/37/01/47/655370147.db2.gz WXEPUHLPDLHWOR-YOEHRIQHSA-N 1 0 388.302 2.819 20 0 GFADRO CC[C@@H](COCC(F)(F)F)[NH2+][C@@H](C)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000297442543 655370668 /nfs/dbraw/zinc/37/06/68/655370668.db2.gz WHJINXNAQWWOGW-JSGCOSHPSA-N 1 0 382.448 2.945 20 0 GFADRO C[C@]([NH2+]C[C@@H](O)c1ccc(F)c(Br)c1)(C(N)=O)c1ccccc1 ZINC000187222168 655373086 /nfs/dbraw/zinc/37/30/86/655373086.db2.gz STOUEOAJKFBDFI-NVXWUHKLSA-N 1 0 381.245 2.612 20 0 GFADRO C[C@@H](CNC(=O)c1ccc(NC(=O)c2ccc(Br)o2)cc1)[NH+](C)C ZINC000298747910 655374084 /nfs/dbraw/zinc/37/40/84/655374084.db2.gz LSGVQRDFOCCIOB-NSHDSACASA-N 1 0 394.269 2.974 20 0 GFADRO Cc1cc(Br)cc([C@H](C)[NH2+]CC2CCS(=O)(=O)CC2)c1O ZINC000187402402 655374122 /nfs/dbraw/zinc/37/41/22/655374122.db2.gz YOLPDPSOISWZOJ-NSHDSACASA-N 1 0 376.316 2.939 20 0 GFADRO C[N@@H+]1CCCC[C@@H]1CN1CCN(Cn2nc(C(F)(F)F)sc2=S)CC1 ZINC000188680471 655381410 /nfs/dbraw/zinc/38/14/10/655381410.db2.gz OATZLCFZECKDST-GFCCVEGCSA-N 1 0 395.520 2.752 20 0 GFADRO CCC(CC)[C@H](CNS(=O)(=O)c1c(Cl)nc2sccn21)[NH+](C)C ZINC000320316164 655382093 /nfs/dbraw/zinc/38/20/93/655382093.db2.gz DMDGZLGVCDSSQE-NSHDSACASA-N 1 0 378.951 2.694 20 0 GFADRO CC(C)[N@@H+](C)C[C@H](C)Nc1cnn(CC(F)(F)F)c(=O)c1Br ZINC000320211586 655382108 /nfs/dbraw/zinc/38/21/08/655382108.db2.gz RTDSZDGXSNPSLW-VIFPVBQESA-N 1 0 385.228 2.709 20 0 GFADRO C[C@@H]1CN(CN2CC[C@@H](c3cccc(Br)c3)C2=O)C[C@H](C)[N@H+]1C ZINC000840091180 661131343 /nfs/dbraw/zinc/13/13/43/661131343.db2.gz PNSNTGTZIRKQPQ-VBQJREDUSA-N 1 0 380.330 2.747 20 0 GFADRO CCC[NH+]1CCC(Nc2cnn(CC(F)(F)F)c(=O)c2Br)CC1 ZINC000322990516 655383401 /nfs/dbraw/zinc/38/34/01/655383401.db2.gz RHPHFRRVXIJAIK-UHFFFAOYSA-N 1 0 397.239 2.854 20 0 GFADRO CS(=O)(=O)CCN1CCC([NH2+]Cc2cc(Cl)cc(C(F)(F)F)c2)CC1 ZINC000189183179 655385125 /nfs/dbraw/zinc/38/51/25/655385125.db2.gz PRYUNCHARAJRFZ-UHFFFAOYSA-N 1 0 398.878 2.957 20 0 GFADRO CC[C@H]1C[N@H+](C)CCN1Cn1ncc2c1ccc(Br)c2C(=O)OC ZINC000840091731 661131620 /nfs/dbraw/zinc/13/16/20/661131620.db2.gz NRHPZJBUYUGLKN-LBPRGKRZSA-N 1 0 395.301 2.569 20 0 GFADRO O=S(=O)(C(F)F)N1CCC(C[NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000189336075 655386068 /nfs/dbraw/zinc/38/60/68/655386068.db2.gz WEVOHXMJZRLNRG-VXGBXAGGSA-N 1 0 378.407 2.962 20 0 GFADRO O=C1N[C@H](Cc2cc(Cl)cc(Cl)c2)C(=O)N1C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000349232634 655388732 /nfs/dbraw/zinc/38/87/32/655388732.db2.gz FYFYIENNKVBBMY-MEDUHNTESA-N 1 0 382.291 2.941 20 0 GFADRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)/C=C/c3csc(Br)c3)CC2)C1 ZINC000365344879 655394027 /nfs/dbraw/zinc/39/40/27/655394027.db2.gz NTHPMKZQVZNHCQ-MBVDDHJVSA-N 1 0 398.370 2.762 20 0 GFADRO CC(=O)N1CC(C(=O)O[C@H]2CCCN(Cc3ccc(Cl)c(Cl)c3)C2)C1 ZINC000190829499 655395140 /nfs/dbraw/zinc/39/51/40/655395140.db2.gz AVGLWWYKKSZPMG-HNNXBMFYSA-N 1 0 385.291 2.979 20 0 GFADRO O=C(CCc1cc(Br)cs1)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000366197078 655399835 /nfs/dbraw/zinc/39/98/35/655399835.db2.gz AKNJUQVBWWLLQM-AWEZNQCLSA-N 1 0 387.343 2.813 20 0 GFADRO C[C@@H](Oc1ccccc1Br)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000366198804 655399920 /nfs/dbraw/zinc/39/99/20/655399920.db2.gz VUINLXZSAASULZ-UKRRQHHQSA-N 1 0 397.313 2.586 20 0 GFADRO O=C(NCC[NH2+]Cc1ccc(Br)c(Cl)c1)C1N=CC=CC1=O ZINC000192167643 655403178 /nfs/dbraw/zinc/40/31/78/655403178.db2.gz OHUNZRQKYBGQIW-PFONDFGASA-N 1 0 384.661 2.719 20 0 GFADRO O=c1c(Br)nn(C[N@H+]2CCC[C@@H]2[C@@H]2CCC[C@@H]2O)c2ccccc12 ZINC000840118268 661135245 /nfs/dbraw/zinc/13/52/45/661135245.db2.gz CXGPKEJKRKQHQU-BJJXKVORSA-N 1 0 392.297 2.742 20 0 GFADRO COCC[C@@H](Cc1cccc(Br)c1)C(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000424026586 655407896 /nfs/dbraw/zinc/40/78/96/655407896.db2.gz KVSAREZEONZPCJ-LPHOPBHVSA-N 1 0 395.341 2.999 20 0 GFADRO COCC(COC)[NH2+]Cc1cc(Br)c(OC(F)F)c(OC)c1 ZINC000449545515 655410103 /nfs/dbraw/zinc/41/01/03/655410103.db2.gz SZRSBAIKUWFITF-UHFFFAOYSA-N 1 0 384.217 2.810 20 0 GFADRO CS(=O)(=O)c1cc(CN(Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)co1 ZINC000530218861 655420485 /nfs/dbraw/zinc/42/04/85/655420485.db2.gz NSBJIYNZVILAHE-INIZCTEOSA-N 1 0 380.535 2.889 20 0 GFADRO OC1(C[NH2+]Cc2cc(Br)c(Br)s2)CCOCC1 ZINC000227843999 655423112 /nfs/dbraw/zinc/42/31/12/655423112.db2.gz BBVMSIOGZWDVPH-UHFFFAOYSA-N 1 0 385.121 2.904 20 0 GFADRO C[C@H](CNS(=O)(=O)c1ccc(Br)c(F)c1)[NH+]1CCCCC1 ZINC000232226126 655423629 /nfs/dbraw/zinc/42/36/29/655423629.db2.gz INUGILHLYFRUKJ-LLVKDONJSA-N 1 0 379.295 2.741 20 0 GFADRO CN(C)c1cc(NC(=O)NCC[C@H]2CCC[N@H+](C)C2)ncc1Br ZINC000562683866 655424227 /nfs/dbraw/zinc/42/42/27/655424227.db2.gz GRVUKXRQTXBMMT-GFCCVEGCSA-N 1 0 384.322 2.764 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCCCN1S(=O)(=O)c1ccc(Cl)c(Br)c1 ZINC000235491036 655424415 /nfs/dbraw/zinc/42/44/15/655424415.db2.gz LNJBAZMYMGJULJ-ZANVPECISA-N 1 0 381.723 2.993 20 0 GFADRO CN(C(=O)c1cnn(-c2ccc(Br)cc2)c1)C1CCC([NH3+])CC1 ZINC000237017195 655425391 /nfs/dbraw/zinc/42/53/91/655425391.db2.gz YMUDFCYIIWYDEN-UHFFFAOYSA-N 1 0 377.286 2.977 20 0 GFADRO C[NH2+]CCN(C)C(=O)Cc1ccc(NC(=O)c2ccc(Br)o2)cc1 ZINC000237293722 655426046 /nfs/dbraw/zinc/42/60/46/655426046.db2.gz JETUHRWYZJMIDV-UHFFFAOYSA-N 1 0 394.269 2.515 20 0 GFADRO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)CN1C(=S)N=NC1c1ccc(Cl)cc1 ZINC000237981966 655426814 /nfs/dbraw/zinc/42/68/14/655426814.db2.gz MCLVKKIHMSKRKK-OCCSQVGLSA-N 1 0 379.917 2.521 20 0 GFADRO C[C@]1(n2cc(C[NH2+][C@@H]3CCc4sc(Cl)cc43)cn2)CCS(=O)(=O)C1 ZINC000574242215 655427108 /nfs/dbraw/zinc/42/71/08/655427108.db2.gz AVYMJRKXFMNOTF-CJNGLKHVSA-N 1 0 385.942 2.909 20 0 GFADRO C[C@H](NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1ccc(Br)cn1 ZINC000574298138 655428524 /nfs/dbraw/zinc/42/85/24/655428524.db2.gz SFGGMKGZJMNFTB-KBXCAEBGSA-N 1 0 390.325 2.914 20 0 GFADRO C[C@H](C[C@@H]1CCCCCN1C(=O)OC(C)(C)C)[NH2+][C@H](C)CS(C)(=O)=O ZINC000246123246 655429157 /nfs/dbraw/zinc/42/91/57/655429157.db2.gz DIKWOBLUPDWQBF-OAGGEKHMSA-N 1 0 376.563 2.967 20 0 GFADRO CO[C@H]1CCN(C(=O)c2cc(Cl)cc(F)c2Br)[C@H](C[NH3+])C1 ZINC000574869488 655432530 /nfs/dbraw/zinc/43/25/30/655432530.db2.gz DAPYYJPKKVYZIJ-UWVGGRQHSA-N 1 0 379.657 2.820 20 0 GFADRO CC[C@H]([NH2+]C[C@H]1CC[C@@H](C(=O)N(C)C)O1)c1cc(Br)ccc1O ZINC000248541635 655432587 /nfs/dbraw/zinc/43/25/87/655432587.db2.gz CADKUMMLZVBJEZ-INWMFGNUSA-N 1 0 385.302 2.831 20 0 GFADRO CSCC[C@H]1NC(=S)N(C[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)C1=O ZINC000248558265 655432830 /nfs/dbraw/zinc/43/28/30/655432830.db2.gz MEWKTTOXWIFQCA-SJORKVTESA-N 1 0 377.579 2.735 20 0 GFADRO CCO[C@@H]1C[C@@]([NH3+])(C(=O)NC[C@@H](O)c2ccc(Cl)cc2Cl)C1(C)C ZINC000249091547 655433807 /nfs/dbraw/zinc/43/38/07/655433807.db2.gz WBSUMJXFMOMQNL-CKEIUWERSA-N 1 0 375.296 2.676 20 0 GFADRO Cc1sc(Br)cc1S(=O)(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250951270 655434974 /nfs/dbraw/zinc/43/49/74/655434974.db2.gz NABSCFRSYIYHLJ-QWRGUYRKSA-N 1 0 379.345 2.724 20 0 GFADRO C[C@@H](NC(=O)Nc1ccc2c(c1)C[NH2+]CC2)c1ncc(Br)cn1 ZINC000575851647 655438495 /nfs/dbraw/zinc/43/84/95/655438495.db2.gz GZJTYOHDJVMAOW-SNVBAGLBSA-N 1 0 376.258 2.768 20 0 GFADRO O=S(=O)(/C=C\c1ccc(Br)cc1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000255908545 655440999 /nfs/dbraw/zinc/44/09/99/655440999.db2.gz FCOQXFPYGWGTIK-IYCSXQJISA-N 1 0 385.327 2.920 20 0 GFADRO COc1cc(OC)c(NC(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)cc1Br ZINC000575971049 655441038 /nfs/dbraw/zinc/44/10/38/655441038.db2.gz MSUMDXSGEWAKOY-WCQYABFASA-N 1 0 398.301 2.976 20 0 GFADRO O[C@@H](C[NH2+]CCc1csc(N2CCCC2)n1)COc1ccccc1Cl ZINC000575981461 655441415 /nfs/dbraw/zinc/44/14/15/655441415.db2.gz NLXLFQXYGOZSAK-HNNXBMFYSA-N 1 0 381.929 2.969 20 0 GFADRO CCN1CC[NH+](C[C@H](C)CNC(=O)N[C@H]2CCc3sc(Cl)cc32)CC1 ZINC000576039078 655442423 /nfs/dbraw/zinc/44/24/23/655442423.db2.gz HSNDAHCWACANLE-HIFRSBDPSA-N 1 0 384.977 2.962 20 0 GFADRO C[C@@H](NC(=O)NCC[C@@H]1CC[NH2+]C1)c1cc2c(cc1Br)OCCO2 ZINC000576091800 655443121 /nfs/dbraw/zinc/44/31/21/655443121.db2.gz UWHPDUCDMIYVCC-NEPJUHHUSA-N 1 0 398.301 2.580 20 0 GFADRO O=C(CCSc1ccccc1Cl)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000262093988 655443900 /nfs/dbraw/zinc/44/39/00/655443900.db2.gz URXATUYWKMQSIC-AWEZNQCLSA-N 1 0 395.878 2.775 20 0 GFADRO O=S(=O)(NCC[C@@H]1CC[NH2+]C1)c1ccc2ccccc2c1Br ZINC000576398782 655446742 /nfs/dbraw/zinc/44/67/42/655446742.db2.gz ZFMXXCBWGBWBSB-LBPRGKRZSA-N 1 0 383.311 2.880 20 0 GFADRO O=S(=O)(NCC[C@H]1CC[NH2+]C1)c1ccc2ccccc2c1Br ZINC000576398781 655446782 /nfs/dbraw/zinc/44/67/82/655446782.db2.gz ZFMXXCBWGBWBSB-GFCCVEGCSA-N 1 0 383.311 2.880 20 0 GFADRO COc1cc(Cl)c(Cl)cc1C(=O)N(C)CCC[N@H+](C)CCN(C)C ZINC000576430095 655447142 /nfs/dbraw/zinc/44/71/42/655447142.db2.gz JAOAPHYCBCUJQO-UHFFFAOYSA-N 1 0 376.328 2.958 20 0 GFADRO CCOc1c(Br)cc(C(=O)N[C@@H]2[C@@H](C)CC[NH2+][C@H]2C)cc1OC ZINC000576696392 655450935 /nfs/dbraw/zinc/45/09/35/655450935.db2.gz KNAAQRCMBBBOMT-ZIBATOQPSA-N 1 0 385.302 2.973 20 0 GFADRO N[C@@](C(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1)(c1cccc(Cl)c1)C(F)(F)F ZINC000577372685 655457995 /nfs/dbraw/zinc/45/79/95/655457995.db2.gz KUGAGAVZMMGNDP-SQWLQELKSA-N 1 0 375.822 2.561 20 0 GFADRO O[C@@H](C[N@@H+]1CCC[C@H](c2nnc3n2CCC3)C1)c1ccc(Br)cc1 ZINC000264234195 655459404 /nfs/dbraw/zinc/45/94/04/655459404.db2.gz SQSKJZDWJQLWMF-HOCLYGCPSA-N 1 0 391.313 2.900 20 0 GFADRO CCN1CC[NH+](C[C@H](C)CNc2ncc3scc(Br)c3n2)CC1 ZINC000577650266 655463833 /nfs/dbraw/zinc/46/38/33/655463833.db2.gz KZLMKQFVQZUTIQ-GFCCVEGCSA-N 1 0 398.374 3.139 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)N[C@H](C)CC[NH+](C)C ZINC000264477479 655464514 /nfs/dbraw/zinc/46/45/14/655464514.db2.gz WKVVRWQEOAXRJF-CABCVRRESA-N 1 0 386.583 2.807 20 0 GFADRO COC(=O)CSCCC(=O)Nc1cc(C[NH+]2CCSCC2)ccc1C ZINC000264608656 655467031 /nfs/dbraw/zinc/46/70/31/655467031.db2.gz YWTQSPGTLVALML-UHFFFAOYSA-N 1 0 382.551 2.779 20 0 GFADRO O=C(NC[C@H]1CCC[NH2+]1)Nc1ccnn1Cc1ccc(Br)cc1 ZINC000577829543 655467882 /nfs/dbraw/zinc/46/78/82/655467882.db2.gz XEXBYOSANMLPKL-CQSZACIVSA-N 1 0 378.274 2.567 20 0 GFADRO COc1ccc(Br)c(C(=O)Nc2cnc3c(c2)C[C@@H]([NH3+])CC3)c1 ZINC000577840895 655468198 /nfs/dbraw/zinc/46/81/98/655468198.db2.gz JOGOOFXKYJDICL-NSHDSACASA-N 1 0 376.254 2.921 20 0 GFADRO O=C(c1cccc(I)c1)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000577847389 655468300 /nfs/dbraw/zinc/46/83/00/655468300.db2.gz LWFIUWPIUOIBAR-ZIAGYGMSSA-N 1 0 384.261 2.753 20 0 GFADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)CSc1cccc2cccc(Cl)c21 ZINC000264771323 655470066 /nfs/dbraw/zinc/47/00/66/655470066.db2.gz VKTULHAZGXVPCI-OAHLLOKOSA-N 1 0 377.941 2.947 20 0 GFADRO O[C@H](C[NH2+][C@H]1CCO[C@]2(CCOC2)C1)COc1ccc(Cl)cc1Cl ZINC000578187117 655473635 /nfs/dbraw/zinc/47/36/35/655473635.db2.gz PJXRQZFCRWWOOD-JJRVBVJISA-N 1 0 376.280 2.661 20 0 GFADRO CS(=O)(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(F)c(C(F)(F)F)cc1F ZINC000578255298 655475093 /nfs/dbraw/zinc/47/50/93/655475093.db2.gz OZDWWSNDUPSKOI-ZIAGYGMSSA-N 1 0 386.386 2.934 20 0 GFADRO O=C(Nc1cnn(-c2ncc(Cl)cc2Cl)c1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000578422993 655478512 /nfs/dbraw/zinc/47/85/12/655478512.db2.gz TYOPYDXYTZDKLF-WDEREUQCSA-N 1 0 381.267 2.647 20 0 GFADRO CC[NH2+]CC1CCN(C(=O)c2cc(Br)c(OC)c(OC)c2)CC1 ZINC000578529715 655481215 /nfs/dbraw/zinc/48/12/15/655481215.db2.gz DLKIZLQPMYKPDG-UHFFFAOYSA-N 1 0 385.302 2.928 20 0 GFADRO O=C(c1ccc(F)cc1I)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000578618698 655483138 /nfs/dbraw/zinc/48/31/38/655483138.db2.gz MYYUVBKDTNEEGM-OAHLLOKOSA-N 1 0 388.224 2.646 20 0 GFADRO O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccc(Br)cc1F ZINC000265588407 655486532 /nfs/dbraw/zinc/48/65/32/655486532.db2.gz XSYARHZBLFOLIV-LBPRGKRZSA-N 1 0 385.277 2.819 20 0 GFADRO COc1ccc(Br)cc1C[NH2+][C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000265833821 655491516 /nfs/dbraw/zinc/49/15/16/655491516.db2.gz DOJCYCJANUCFGX-KGLIPLIRSA-N 1 0 376.316 2.903 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)C2(c3cccc(Br)c3)CC2)CC12CCOCC2 ZINC000579121692 655494447 /nfs/dbraw/zinc/49/44/47/655494447.db2.gz KFMOMRPDBQDRIO-HNNXBMFYSA-N 1 0 393.325 2.695 20 0 GFADRO O=C(Nc1ccc(Br)cc1)C1CC[NH+](C[C@H]2CCCNC2=O)CC1 ZINC000579444434 655499761 /nfs/dbraw/zinc/49/97/61/655499761.db2.gz RVEXWTRZJGJGIC-CQSZACIVSA-N 1 0 394.313 2.626 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1CN1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000579592450 655501849 /nfs/dbraw/zinc/50/18/49/655501849.db2.gz UKZFTAQOLSGHJV-CABCVRRESA-N 1 0 375.314 2.985 20 0 GFADRO CC(=O)N[C@@H](CC(=O)NC(C)(C)CCC[NH3+])c1ccc(Br)cc1 ZINC000579716091 655503016 /nfs/dbraw/zinc/50/30/16/655503016.db2.gz LLSKKOSUEXCYJY-HNNXBMFYSA-N 1 0 384.318 2.650 20 0 GFADRO Cc1cc(S(=O)(=O)NCC[NH2+][C@@H]2CCc3cccnc3CC2)c(C)s1 ZINC000579822053 655504264 /nfs/dbraw/zinc/50/42/64/655504264.db2.gz ASGNBFKHPRKMEH-MRXNPFEDSA-N 1 0 379.551 2.575 20 0 GFADRO Cc1[nH]c(=O)c(Br)cc1C(=O)N1CCC[N@H+](CC2CCC2)CC1 ZINC000580047097 655507352 /nfs/dbraw/zinc/50/73/52/655507352.db2.gz WJYURLYLYZVXBC-UHFFFAOYSA-N 1 0 382.302 2.806 20 0 GFADRO [NH3+]CCc1ccccc1C(=O)N1CCC(n2cc(Br)cn2)CC1 ZINC000580088526 655508182 /nfs/dbraw/zinc/50/81/82/655508182.db2.gz FDBUGNAWQPUBHB-UHFFFAOYSA-N 1 0 377.286 2.624 20 0 GFADRO Cn1cc(Br)c(NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)n1 ZINC000580195101 655509825 /nfs/dbraw/zinc/50/98/25/655509825.db2.gz NUAOBWJYRRHULC-UHFFFAOYSA-N 1 0 377.286 3.421 20 0 GFADRO COc1cc(Br)ccc1NC(=O)[C@H](N)C[N@H+](C)Cc1ccccc1 ZINC000712321622 655522595 /nfs/dbraw/zinc/52/25/95/655522595.db2.gz VZOVDJWDRCCIKK-OAHLLOKOSA-N 1 0 392.297 2.856 20 0 GFADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1cc2c(cc(Br)cc2F)[nH]1 ZINC000725896633 655528469 /nfs/dbraw/zinc/52/84/69/655528469.db2.gz MRRYQNRZHICZHJ-NEPJUHHUSA-N 1 0 396.260 2.663 20 0 GFADRO C[N@@H+]1CCC[C@@H](NC(=O)N2CCO[C@@H](c3ccccc3Br)C2)C1 ZINC000726235662 655532405 /nfs/dbraw/zinc/53/24/05/655532405.db2.gz HWRMQYDXFJFVON-CZUORRHYSA-N 1 0 382.302 2.626 20 0 GFADRO Cc1cc[n+](C(C(=O)c2ccc(Cl)c(Cl)c2)C(=S)NCC(N)=O)cc1 ZINC000727162181 655542347 /nfs/dbraw/zinc/54/23/47/655542347.db2.gz VPKJEJCHTOSBGU-UHFFFAOYSA-O 1 0 397.307 2.875 20 0 GFADRO C[NH+](C)CCNC(=S)N1CCC([C@H]2C(=O)Nc3cc(Cl)ccc32)CC1 ZINC000727289988 655544117 /nfs/dbraw/zinc/54/41/17/655544117.db2.gz XBNHMRHZZIXTTI-MRXNPFEDSA-N 1 0 380.945 2.524 20 0 GFADRO C[C@H](Cc1cccc(Br)c1)NC(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000729497797 655565235 /nfs/dbraw/zinc/56/52/35/655565235.db2.gz CLMAEUDUDYQHAX-KBRIMQKVSA-N 1 0 396.329 2.543 20 0 GFADRO C[C@H](CN1CC[NH+](C)CC1)NC(=S)Nc1ccc(OC(F)(F)F)cc1 ZINC000730157475 655571977 /nfs/dbraw/zinc/57/19/77/655571977.db2.gz SOUPMZDJXIXCFY-GFCCVEGCSA-N 1 0 376.448 2.508 20 0 GFADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)c2sccc2SC(F)F)CC1 ZINC000730546012 655576431 /nfs/dbraw/zinc/57/64/31/655576431.db2.gz LSGJOSSEVCGPDV-UHFFFAOYSA-N 1 0 391.509 2.689 20 0 GFADRO O=c1oc2cc(Br)ccc2n1CN1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000730805880 655578058 /nfs/dbraw/zinc/57/80/58/655578058.db2.gz FVLNENDXXVVIPG-CQSZACIVSA-N 1 0 380.286 2.875 20 0 GFADRO CC(C)[NH+]1CCC(N(C)C(=O)c2sccc2S(=O)(=O)C(F)F)CC1 ZINC000730962995 655579918 /nfs/dbraw/zinc/57/99/18/655579918.db2.gz CHGDOQDMJJBSIJ-UHFFFAOYSA-N 1 0 380.482 2.689 20 0 GFADRO O=C(NCCc1ccc(Br)cc1F)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000731121675 655581864 /nfs/dbraw/zinc/58/18/64/655581864.db2.gz BQGUVQBEVMDJCC-HNNXBMFYSA-N 1 0 384.293 2.914 20 0 GFADRO O=C(NCCCc1cccc(Br)c1)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000731220864 655582545 /nfs/dbraw/zinc/58/25/45/655582545.db2.gz WHEWLXRHNNBDFC-IAGOWNOFSA-N 1 0 396.329 2.544 20 0 GFADRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)CCN1C(=S)N=NC1c1cccs1 ZINC000731872847 655588173 /nfs/dbraw/zinc/58/81/73/655588173.db2.gz GLAQOBYQTZZFPZ-CYBMUJFWSA-N 1 0 379.555 2.676 20 0 GFADRO CN(C(=O)/C=C\c1ccc(I)o1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000732036953 655590911 /nfs/dbraw/zinc/59/09/11/655590911.db2.gz ZQKIFOYYOBGMNN-SMYYYNMVSA-N 1 0 386.233 2.593 20 0 GFADRO CN([C@@H]1CC[N@@H+](C2CC2)C1)S(=O)(=O)/C=C\c1ccc(Br)cc1 ZINC000732226750 655593566 /nfs/dbraw/zinc/59/35/66/655593566.db2.gz OXTNJECTNNBNBG-HGPCXVNDSA-N 1 0 385.327 2.918 20 0 GFADRO CCCC[N@H+](C)CCNS(=O)(=O)c1cc(Br)cc(F)c1OC ZINC000732814465 655602788 /nfs/dbraw/zinc/60/27/88/655602788.db2.gz DCMAZIRBAOMZRC-UHFFFAOYSA-N 1 0 397.310 2.607 20 0 GFADRO Cc1ccc(/C=C/C(=O)NCCCN2CCC[N@@H+](C)CC2)c(Br)c1 ZINC000733978587 655624829 /nfs/dbraw/zinc/62/48/29/655624829.db2.gz FUCBFESUXIEMGF-BQYQJAHWSA-N 1 0 394.357 2.915 20 0 GFADRO O=S(=O)(/C=C/c1ccccc1Cl)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000734243478 655628406 /nfs/dbraw/zinc/62/84/06/655628406.db2.gz KDBVWPUYOAJLQI-VEMDQMBVSA-N 1 0 384.929 2.874 20 0 GFADRO O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)c1cc(Br)ccc1O ZINC000734242486 655628489 /nfs/dbraw/zinc/62/84/89/655628489.db2.gz GHTBIJJUKSQIEH-AWEZNQCLSA-N 1 0 383.286 2.528 20 0 GFADRO CC[C@H](Cc1cccc(Br)c1)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000735272052 655643615 /nfs/dbraw/zinc/64/36/15/655643615.db2.gz OWYBAEMATNHONU-NXHRZFHOSA-N 1 0 395.341 2.997 20 0 GFADRO CCCCCC[N@H+](C)CC(=O)N1CSC[C@H]1C(=O)Nc1ncc(C)s1 ZINC000735656965 655650699 /nfs/dbraw/zinc/65/06/99/655650699.db2.gz RZMUXTNYRGYTOI-AWEZNQCLSA-N 1 0 384.571 2.804 20 0 GFADRO CCc1ccc(CN2CCN(C(=S)NCC(C)(C)C[NH+](C)C)CC2)s1 ZINC000737452612 655672483 /nfs/dbraw/zinc/67/24/83/655672483.db2.gz NZVBSGJOOIJHDP-UHFFFAOYSA-N 1 0 382.643 2.890 20 0 GFADRO C[C@@H]1C[C@@H](C)[N@H+](CN2C(=O)N[C@](C)(c3ccccc3Br)C2=O)C1 ZINC000740857944 655699912 /nfs/dbraw/zinc/69/99/12/655699912.db2.gz BNNLOTWKFPLBDQ-PSTGCABASA-N 1 0 380.286 2.904 20 0 GFADRO CC[C@@H](C(=O)OCc1nnnn1-c1ccccc1Br)[NH+](CC)CC ZINC000741033906 655702333 /nfs/dbraw/zinc/70/23/33/655702333.db2.gz VUGPVLFMPJXDBG-ZDUSSCGKSA-N 1 0 396.289 2.588 20 0 GFADRO C[NH+]1CCC2(CCN2C(=O)/C=C\c2ccc(I)o2)CC1 ZINC000742185979 655711498 /nfs/dbraw/zinc/71/14/98/655711498.db2.gz OGFDKLDKFDHTPP-HYXAFXHYSA-N 1 0 386.233 2.594 20 0 GFADRO C[NH+]1CCN(CCOc2ccc(NC(=O)c3scnc3Cl)cc2)CC1 ZINC000742896928 655723270 /nfs/dbraw/zinc/72/32/70/655723270.db2.gz FPJKEBDKKVBCGF-UHFFFAOYSA-N 1 0 380.901 2.675 20 0 GFADRO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)Nc1ccc(Cl)c(C[S@](C)=O)c1 ZINC000743417279 655728931 /nfs/dbraw/zinc/72/89/31/655728931.db2.gz VCODXOQRHSEQRD-NSYGIPOTSA-N 1 0 386.945 2.950 20 0 GFADRO C[C@H]1CCC[N@@H+]1CCNC(=O)C(=O)Nc1ccc(Br)cc1Cl ZINC000743983881 655733627 /nfs/dbraw/zinc/73/36/27/655733627.db2.gz YTPPBSWWEZQNOW-JTQLQIEISA-N 1 0 388.693 2.642 20 0 GFADRO OCCCC[NH+]1CCN(Cc2ncc(-c3ccccc3Br)o2)CC1 ZINC000746487896 655762383 /nfs/dbraw/zinc/76/23/83/655762383.db2.gz DBKNZMFJGWSQIJ-UHFFFAOYSA-N 1 0 394.313 2.994 20 0 GFADRO O=C(CN1CC[NH+](CCCCO)CC1)Nc1cc(Cl)c(Cl)cc1Cl ZINC000746489379 655762560 /nfs/dbraw/zinc/76/25/60/655762560.db2.gz XEPGTXQLLRICNO-UHFFFAOYSA-N 1 0 394.730 2.975 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2Cn1ncc2c1cccc2Br ZINC000746654488 655765526 /nfs/dbraw/zinc/76/55/26/655765526.db2.gz YMVLCOGFFXUHBB-JEBQAFNWSA-N 1 0 393.329 2.940 20 0 GFADRO C[NH+](C)[C@@]1(CNS(=O)(=O)c2ccc3nc(Cl)sc3c2)CCSC1 ZINC000746673117 655766317 /nfs/dbraw/zinc/76/63/17/655766317.db2.gz VSIZGZKNPFMLBK-CQSZACIVSA-N 1 0 391.971 2.665 20 0 GFADRO CC[NH+](CC)CCO[C@H]1CCN(c2ccc(S(=O)(=O)C(F)F)cc2)C1 ZINC000747226381 655774261 /nfs/dbraw/zinc/77/42/61/655774261.db2.gz HDBOEXXYDDTEPR-HNNXBMFYSA-N 1 0 376.469 2.620 20 0 GFADRO Cc1ccc(OCCC(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)c(Br)c1 ZINC000747229765 655774365 /nfs/dbraw/zinc/77/43/65/655774365.db2.gz LPPXDWZYOYCEGR-GJZGRUSLSA-N 1 0 397.313 2.506 20 0 GFADRO CC(C)Oc1cc(Br)ccc1C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000747229600 655774421 /nfs/dbraw/zinc/77/44/21/655774421.db2.gz LDLRICBOYVPWPL-LSDHHAIUSA-N 1 0 397.313 2.829 20 0 GFADRO C[NH+]1CCC2(CCN2C(=O)c2cnn(-c3cccc(Br)c3)c2)CC1 ZINC000748321630 655789742 /nfs/dbraw/zinc/78/97/42/655789742.db2.gz JXXNVMDPRKGNDK-UHFFFAOYSA-N 1 0 389.297 2.945 20 0 GFADRO O=S(=O)(N[C@@H]1CC[N@H+](CC2CC2)C1)c1cc2ccc(Cl)nc2cc1F ZINC000750162371 655811990 /nfs/dbraw/zinc/81/19/90/655811990.db2.gz DWXYIZVTPGFZFF-CYBMUJFWSA-N 1 0 383.876 2.790 20 0 GFADRO O=C(Cn1cc(Br)ccc1=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000750858780 655818171 /nfs/dbraw/zinc/81/81/71/655818171.db2.gz FEFRHQMAGKEPSN-UHFFFAOYSA-N 1 0 396.329 2.524 20 0 GFADRO C[NH+](C)CCCNC(=S)N1CCO[C@@H](c2ccccc2Br)C1 ZINC000751021525 655820370 /nfs/dbraw/zinc/82/03/70/655820370.db2.gz WILXICDPWFJEOV-OAHLLOKOSA-N 1 0 386.359 2.649 20 0 GFADRO O[C@H](C[NH2+][C@H]1CCCN(c2ncccn2)C1)c1ccccc1Br ZINC000751574913 655831221 /nfs/dbraw/zinc/83/12/21/655831221.db2.gz KGXSNRQUDJJSJZ-XJKSGUPXSA-N 1 0 377.286 2.531 20 0 GFADRO C[C@H]1C[N@H+](CN2C(=O)N[C@](C)(c3ccccc3Br)C2=O)C[C@H]1C ZINC000751926813 655836091 /nfs/dbraw/zinc/83/60/91/655836091.db2.gz IGVPKMGEYAOYGN-BWACUDIHSA-N 1 0 380.286 2.761 20 0 GFADRO CSCCNC(=S)NCCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000752763611 655846475 /nfs/dbraw/zinc/84/64/75/655846475.db2.gz KXUDLKUKHXFTQG-UHFFFAOYSA-N 1 0 381.611 2.885 20 0 GFADRO O=C(Nn1cc(Br)cn1)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000752905263 655848079 /nfs/dbraw/zinc/84/80/79/655848079.db2.gz MVUYLKIWGBQCMS-CYBMUJFWSA-N 1 0 381.249 2.767 20 0 GFADRO CC(C)[N@H+](CCc1nccs1)Cn1cc(I)cn1 ZINC000753987774 655861763 /nfs/dbraw/zinc/86/17/63/655861763.db2.gz ULODSYUMXLIPFF-UHFFFAOYSA-N 1 0 376.267 2.855 20 0 GFADRO COC(=O)[C@@H]1CN(C(=S)Nc2cc(Cl)cc(Cl)c2)CC[N@H+](C)C1 ZINC000840856179 661196010 /nfs/dbraw/zinc/19/60/10/661196010.db2.gz IDDHZCLGWJMMAA-JTQLQIEISA-N 1 0 376.309 2.727 20 0 GFADRO OCC[C@@H]([NH2+]C[C@H](O)COc1cccc(Br)c1)c1cccs1 ZINC000754389330 655867216 /nfs/dbraw/zinc/86/72/16/655867216.db2.gz RSUPIOXZNFKWEH-DZGCQCFKSA-N 1 0 386.311 2.964 20 0 GFADRO C[N@H+](C1CCCC1)C(C)(C)C(=O)OCC(=O)Nc1ccc(Br)cn1 ZINC000754874470 655875629 /nfs/dbraw/zinc/87/56/29/655875629.db2.gz ZBHPPOFRONLQJC-UHFFFAOYSA-N 1 0 398.301 2.979 20 0 GFADRO O=c1c(Br)nn(C[N@@H+]2CCC[C@@H]3COCC[C@H]32)c2ccccc12 ZINC000755755063 655888512 /nfs/dbraw/zinc/88/85/12/655888512.db2.gz XLKSZIWPCMZZSX-TZMCWYRMSA-N 1 0 378.270 2.617 20 0 GFADRO COC1CC[NH+](C(C)(C)CNC(=O)c2ccc(C)nc2Br)CC1 ZINC000755883022 655890367 /nfs/dbraw/zinc/89/03/67/655890367.db2.gz NTMIOVOGMPDYFL-UHFFFAOYSA-N 1 0 384.318 2.772 20 0 GFADRO CC[C@@H]1CC[N@H+](CN2C(=O)N[C@](C)(c3ccccc3Br)C2=O)C1 ZINC000755926485 655891365 /nfs/dbraw/zinc/89/13/65/655891365.db2.gz WYRMSIPNSQQITI-SJKOYZFVSA-N 1 0 380.286 2.906 20 0 GFADRO Cc1cc(NC(=O)C(=O)NC[C@H](C)[NH+]2CCCCC2)cc(C)c1Br ZINC000756082758 655894439 /nfs/dbraw/zinc/89/44/39/655894439.db2.gz KNQVWPVAWCMCQZ-AWEZNQCLSA-N 1 0 396.329 2.995 20 0 GFADRO Cc1cc(NC(=O)C(=O)NCC[N@H+]2CCC[C@H]2C)cc(C)c1Br ZINC000756128517 655895378 /nfs/dbraw/zinc/89/53/78/655895378.db2.gz OJDOIGBRFJUWEL-CYBMUJFWSA-N 1 0 382.302 2.605 20 0 GFADRO CC(C)(C)OC(=O)N1CC[C@@H](CC[NH2+]Cc2ccc(S(C)(=O)=O)s2)C1 ZINC000840895727 661202514 /nfs/dbraw/zinc/20/25/14/661202514.db2.gz ULSGZSRAHQFDJU-CYBMUJFWSA-N 1 0 388.555 2.888 20 0 GFADRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NCCc1ccc(Br)cc1F ZINC000757687780 655915289 /nfs/dbraw/zinc/91/52/89/655915289.db2.gz HNGDILYEKRYRFQ-BDJLRTHQSA-N 1 0 384.293 2.913 20 0 GFADRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2cc(Br)nn2C)C1 ZINC000757856265 655917504 /nfs/dbraw/zinc/91/75/04/655917504.db2.gz DLAGHLLHPCYBRP-OCCSQVGLSA-N 1 0 377.286 2.748 20 0 GFADRO Cn1nc(Br)cc1C(=O)Nc1ccc(OCCC[NH+](C)C)cc1 ZINC000758303409 655929072 /nfs/dbraw/zinc/92/90/72/655929072.db2.gz VYSVMTGRLHCVFA-UHFFFAOYSA-N 1 0 381.274 2.765 20 0 GFADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]C[C@]1(C)CCCS1 ZINC000758487207 655933965 /nfs/dbraw/zinc/93/39/65/655933965.db2.gz UPYBYPMGJZHPLN-DOMZBBRYSA-N 1 0 377.963 2.580 20 0 GFADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1cc(Br)cc2cccnc21 ZINC000758898756 655943188 /nfs/dbraw/zinc/94/31/88/655943188.db2.gz LBZWKLMKRWYRQH-GJZGRUSLSA-N 1 0 390.281 2.590 20 0 GFADRO CS[C@@H]1CN(C(=O)Nc2ccc([S@@](=O)C(F)(F)F)cc2)C[C@H]1[NH+](C)C ZINC000759987806 655967270 /nfs/dbraw/zinc/96/72/70/655967270.db2.gz QENDMXZRSLJQGP-FUIYZNBFSA-N 1 0 395.472 2.823 20 0 GFADRO C[NH+]1CCC(CNC(=S)Nc2cccc(Cl)c2N2CCOCC2)CC1 ZINC000760467044 655981700 /nfs/dbraw/zinc/98/17/00/655981700.db2.gz OECOSSUGICGTIT-UHFFFAOYSA-N 1 0 382.961 2.805 20 0 GFADRO COc1ccc(C(=O)N[C@H](C[NH+](C)C)C(C)C)c(I)c1 ZINC000760584476 655986691 /nfs/dbraw/zinc/98/66/91/655986691.db2.gz FLAZVJSAVRDTNZ-CQSZACIVSA-N 1 0 390.265 2.616 20 0 GFADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]CCC[C@@H]1CCCCO1 ZINC000760648407 655988890 /nfs/dbraw/zinc/98/88/90/655988890.db2.gz ZBPXWRUQPTTZHO-CABCVRRESA-N 1 0 389.949 2.643 20 0 GFADRO COC(=O)CS(=O)(=O)Cc1ccc(C[NH2+]Cc2cc(C)sc2C)cc1 ZINC000760700496 655989915 /nfs/dbraw/zinc/98/99/15/655989915.db2.gz FAAISKNKPBZSGK-UHFFFAOYSA-N 1 0 381.519 2.743 20 0 GFADRO C[C@@H]1C[C@@H](N2C(=O)[C@@H](c3cccc(Br)c3)N(C)C2=O)CC[N@@H+]1C ZINC000761282251 656007587 /nfs/dbraw/zinc/00/75/87/656007587.db2.gz PPJYHASKELDSMM-BYCMXARLSA-N 1 0 380.286 2.867 20 0 GFADRO C[C@H]1CCC[N@@H+]1CCNC(=O)c1cc(I)ccc1F ZINC000762241221 656037240 /nfs/dbraw/zinc/03/72/40/656037240.db2.gz QXDCLYOFDBBSBX-JTQLQIEISA-N 1 0 376.213 2.644 20 0 GFADRO C[N@@H+]1CC[C@H](CNC(=S)NC[C@H]2CCOC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000762464956 656042924 /nfs/dbraw/zinc/04/29/24/656042924.db2.gz WXIXEQFOJYQYTH-MRRJBJDNSA-N 1 0 385.936 2.973 20 0 GFADRO C[N@@H+](Cc1ccc2c(c1)NC(=O)CO2)C[C@H](O)c1cccc(Br)c1 ZINC000840957361 661219975 /nfs/dbraw/zinc/21/99/75/661219975.db2.gz CJUZTUBYYXORRX-INIZCTEOSA-N 1 0 391.265 2.945 20 0 GFADRO C[C@@]1(c2ccccc2Br)NC(=O)N(C[N@@H+]2CC[C@H](C3CC3)C2)C1=O ZINC000763330736 656079468 /nfs/dbraw/zinc/07/94/68/656079468.db2.gz DKSONPNTWIFKIN-UGSOOPFHSA-N 1 0 392.297 2.906 20 0 GFADRO C[N@H+](CC(=O)NCCc1ccc(Br)cc1F)[C@@H]1CCSC1 ZINC000764192386 656104408 /nfs/dbraw/zinc/10/44/08/656104408.db2.gz NLBBBAKBIIEPGA-CYBMUJFWSA-N 1 0 375.307 2.684 20 0 GFADRO CCCN(CC[NH+](CC)CC)C(=O)CN1C(=S)N=NC1c1cccs1 ZINC000764455129 656110959 /nfs/dbraw/zinc/11/09/59/656110959.db2.gz XUCBCIQIDFORHQ-UHFFFAOYSA-N 1 0 381.571 2.876 20 0 GFADRO Cn1c2ccncc2n(C[NH2+]C(C)(C)c2ccc(Br)cc2)c1=O ZINC000764945532 656123901 /nfs/dbraw/zinc/12/39/01/656123901.db2.gz IEHKNWYVKIQHGE-UHFFFAOYSA-N 1 0 375.270 2.980 20 0 GFADRO CN(C[C@H](O)C[NH3+])C(=O)Nc1ccccc1SC[C@@H]1CC1(Cl)Cl ZINC000841060491 661229945 /nfs/dbraw/zinc/22/99/45/661229945.db2.gz LYKLUKJWZUMVFU-WDEREUQCSA-N 1 0 378.325 2.756 20 0 GFADRO COCCOC[C@H](C)[NH2+][C@@H]1CCCN(c2ccc(Br)c(C)c2)C1=O ZINC000766039767 656158367 /nfs/dbraw/zinc/15/83/67/656158367.db2.gz WCTUJMAOGVVNLH-WMLDXEAASA-N 1 0 399.329 2.894 20 0 GFADRO CCCCn1nc(C)c(CNC[C@H](N2CC[NH2+]CC2)C(F)(F)F)c1Cl ZINC000841070761 661230803 /nfs/dbraw/zinc/23/08/03/661230803.db2.gz SKALVURCRSCQFW-AWEZNQCLSA-N 1 0 381.874 2.571 20 0 GFADRO CCC[N@H+](C)C[C@@H]1CCN(CN2C(=O)c3ccc(Br)cc3C2=O)C1 ZINC000766096561 656161617 /nfs/dbraw/zinc/16/16/17/656161617.db2.gz XOVNHUPLLMRBAV-ZDUSSCGKSA-N 1 0 394.313 2.666 20 0 GFADRO Cn1nc(Br)cc1CNC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000841074531 661231628 /nfs/dbraw/zinc/23/16/28/661231628.db2.gz DJBBICRHKCDGLZ-XJKSGUPXSA-N 1 0 381.293 2.805 20 0 GFADRO CC[N@@H+]1C[C@@H](C)N(C(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)C[C@H]1C ZINC000766310729 656168253 /nfs/dbraw/zinc/16/82/53/656168253.db2.gz KZHOJEPLAXXTSS-VXGBXAGGSA-N 1 0 375.441 2.629 20 0 GFADRO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)Nc1ccc2cc(Br)ccc2c1 ZINC000841182643 661242373 /nfs/dbraw/zinc/24/23/73/661242373.db2.gz ODZOAYOQNBCZPM-HNNXBMFYSA-N 1 0 378.270 2.640 20 0 GFADRO CCC([NH3+])(CC)CNC(=O)C(=O)Nc1cc2ccccc2nc1Br ZINC000841186507 661242435 /nfs/dbraw/zinc/24/24/35/661242435.db2.gz GEWAOZCLNFIVDV-UHFFFAOYSA-N 1 0 393.285 2.570 20 0 GFADRO C[C@H]1CN(C(=O)C(=O)Nc2cccc(Cl)c2SC(F)F)[C@@H](C)C[NH2+]1 ZINC000841206438 661244411 /nfs/dbraw/zinc/24/44/11/661244411.db2.gz KBRFYKGNESDUNV-IUCAKERBSA-N 1 0 377.844 2.802 20 0 GFADRO COc1cc(Br)c(C[NH2+]CCCNc2ncccn2)c(OC)c1 ZINC000769400420 656273842 /nfs/dbraw/zinc/27/38/42/656273842.db2.gz BZRVAAISBAZKPM-UHFFFAOYSA-N 1 0 381.274 2.848 20 0 GFADRO CC[C@@H]1CN(C(=O)C(=O)Nc2ccccc2SC(F)(F)F)CC[C@@H]1[NH3+] ZINC000841226849 661246032 /nfs/dbraw/zinc/24/60/32/661246032.db2.gz BUFFLPMBISECPK-MNOVXSKESA-N 1 0 375.416 2.823 20 0 GFADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2nccn3c(Br)cnc23)C1 ZINC000769701812 656286546 /nfs/dbraw/zinc/28/65/46/656286546.db2.gz QGZZEUQFVKADLW-BETUJISGSA-N 1 0 394.317 2.590 20 0 GFADRO O=C(NC[C@@H]1C[NH2+]CCCO1)Nc1ccc(OCC(F)(F)F)c(Cl)c1 ZINC000841232041 661246512 /nfs/dbraw/zinc/24/65/12/661246512.db2.gz WYKBORADWMRFMI-NSHDSACASA-N 1 0 381.782 2.781 20 0 GFADRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C(=O)Nc1cccc(Cl)c1SC(F)F ZINC000841231391 661246764 /nfs/dbraw/zinc/24/67/64/661246764.db2.gz QMNDWZVZPZJUPO-WPRPVWTQSA-N 1 0 377.844 2.850 20 0 GFADRO [NH3+]CC[C@H](NC(=O)C(=O)Nc1ccccc1SC(F)(F)F)C(F)(F)F ZINC000841261423 661250121 /nfs/dbraw/zinc/25/01/21/661250121.db2.gz HNYQEVAVUFZKOI-VIFPVBQESA-N 1 0 389.321 2.633 20 0 GFADRO O=C(C[NH2+][C@@H](CO)C1CC1)Nc1ccc(Br)c(C(F)(F)F)c1 ZINC000771805051 656362935 /nfs/dbraw/zinc/36/29/35/656362935.db2.gz FAIUINGJWJXSSN-LBPRGKRZSA-N 1 0 381.192 2.767 20 0 GFADRO COC1CC[NH+](CCNC(=O)C[C@H](O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000772761171 656388806 /nfs/dbraw/zinc/38/88/06/656388806.db2.gz VFJFUQJEXKCOBG-INIZCTEOSA-N 1 0 375.296 2.644 20 0 GFADRO Cc1ccc(-n2cnnc2SCC(=O)NC2CC([NH+](C)C)C2)cc1Cl ZINC000773488095 656451928 /nfs/dbraw/zinc/45/19/28/656451928.db2.gz OXDCOAKADWVRKX-UHFFFAOYSA-N 1 0 379.917 2.530 20 0 GFADRO C[NH+]1CCC(ONC(=O)c2cc(-c3ccc(Br)cc3)n[nH]2)CC1 ZINC000773541945 656458924 /nfs/dbraw/zinc/45/89/24/656458924.db2.gz NKTZRPSYJWGVNL-UHFFFAOYSA-N 1 0 379.258 2.595 20 0 GFADRO Cc1ccc(I)cc1NC(=S)NC1CC[NH+](C)CC1 ZINC000774197726 656502259 /nfs/dbraw/zinc/50/22/59/656502259.db2.gz IJRVOQASZPWFNT-UHFFFAOYSA-N 1 0 389.306 2.980 20 0 GFADRO CC(C)[C@H]([NH2+]CC1CCN(S(=O)(=O)C(F)(F)F)CC1)c1cccnc1 ZINC000774414939 656526854 /nfs/dbraw/zinc/52/68/54/656526854.db2.gz VNMPUUFWCOCZOW-HNNXBMFYSA-N 1 0 379.448 2.930 20 0 GFADRO C[C@@H]([NH2+][C@@H](C)c1cccc(S(N)(=O)=O)c1)[C@@H](O)c1c(F)cccc1Cl ZINC000774460260 656529542 /nfs/dbraw/zinc/52/95/42/656529542.db2.gz NFOAVANFMLFYJK-WVQJBOLRSA-N 1 0 386.876 2.899 20 0 GFADRO Cc1cc(Br)cc(CN2CCC[N@H+](CC(=O)N3CCCC3)CC2)c1 ZINC000774838376 656560985 /nfs/dbraw/zinc/56/09/85/656560985.db2.gz UFBFXKQNKQWZSH-UHFFFAOYSA-N 1 0 394.357 2.888 20 0 GFADRO C[C@H](CNC(=O)C(=O)N[C@H](C)c1ccc(Br)cc1)[NH+]1CCCCC1 ZINC000774891289 656566886 /nfs/dbraw/zinc/56/68/86/656566886.db2.gz VCYKVNJHKKPFOR-ZIAGYGMSSA-N 1 0 396.329 2.617 20 0 GFADRO Cc1cc(Br)cc(C[NH2+]CC2CCN(S(C)(=O)=O)CC2)c1 ZINC000774985268 656580005 /nfs/dbraw/zinc/58/00/05/656580005.db2.gz NHRNCCGITKPTIQ-UHFFFAOYSA-N 1 0 375.332 2.519 20 0 GFADRO O=C1c2ccccc2C(=O)N1CC[NH2+]C[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000775016048 656586740 /nfs/dbraw/zinc/58/67/40/656586740.db2.gz MTWCDFSUPSKPPR-INIZCTEOSA-N 1 0 379.243 2.913 20 0 GFADRO CCOC(=O)c1cc(S(=O)(=O)N(CC[NH+](C)C)C(C)C)c(F)cc1Cl ZINC000841507559 661279004 /nfs/dbraw/zinc/27/90/04/661279004.db2.gz LTBAKEZGJYXGNY-UHFFFAOYSA-N 1 0 394.896 2.617 20 0 GFADRO CC[NH+](CC)CCCC1CCN(C(=O)C(=O)NC[C@H]2CC2(Cl)Cl)CC1 ZINC000775196100 656613028 /nfs/dbraw/zinc/61/30/28/656613028.db2.gz MGPZSPIDCNCHGU-OAHLLOKOSA-N 1 0 392.371 2.657 20 0 GFADRO CC(C)N(CCC[NH2+][C@@H]1CCCC[C@H]1S(C)(=O)=O)C(=O)OC(C)(C)C ZINC000775385606 656635400 /nfs/dbraw/zinc/63/54/00/656635400.db2.gz MCQLLIVDKDGRSM-HZPDHXFCSA-N 1 0 376.563 2.967 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)C[C@@H]1C ZINC000775710240 656670301 /nfs/dbraw/zinc/67/03/01/656670301.db2.gz KMFDRLCEZPKAHG-DTWKUNHWSA-N 1 0 386.386 2.875 20 0 GFADRO Cc1cnc(Br)cc1NC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000776038130 656704200 /nfs/dbraw/zinc/70/42/00/656704200.db2.gz CVDUZQVNHODFHX-CYBMUJFWSA-N 1 0 385.306 2.631 20 0 GFADRO Cc1cnc(Br)cc1NC(=O)N(CC[NH+](C)C)C[C@H]1CCCO1 ZINC000776047195 656707345 /nfs/dbraw/zinc/70/73/45/656707345.db2.gz CTMNKXVKOIYSBJ-CYBMUJFWSA-N 1 0 385.306 2.727 20 0 GFADRO CS[C@H]1CN(C(=O)c2scnc2Br)C[C@H]1[NH+]1CCCC1 ZINC000776211869 656720461 /nfs/dbraw/zinc/72/04/61/656720461.db2.gz PNTDQODURGRJLE-ZJUUUORDSA-N 1 0 376.345 2.557 20 0 GFADRO C[C@@H]([NH2+]C1CCC2(CC1)NC(=O)NC2=O)[C@H](O)c1c(Cl)cccc1Cl ZINC000776219327 656721511 /nfs/dbraw/zinc/72/15/11/656721511.db2.gz FMCHHQKNIXPOKM-MVDLMSTDSA-N 1 0 386.279 2.526 20 0 GFADRO C=C1[NH+]=C(SC[C@@H](O)CSC)N[C@H](c2ccccc2)C1C(=O)OCC ZINC000777662508 656831626 /nfs/dbraw/zinc/83/16/26/656831626.db2.gz WSTHWNBDEFGCLK-GOEBONIOSA-N 1 0 380.535 2.981 20 0 GFADRO COC(=O)N1CCC([NH2+][C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)CC1 ZINC000777941865 656845021 /nfs/dbraw/zinc/84/50/21/656845021.db2.gz WYOGJXWQVCXWTP-HNNXBMFYSA-N 1 0 386.279 2.919 20 0 GFADRO C[C@H]([NH2+]CCc1ccc(Br)cc1F)C1CCS(=O)(=O)CC1 ZINC000779025028 656897700 /nfs/dbraw/zinc/89/77/00/656897700.db2.gz UMGYGTWJKHVMPI-NSHDSACASA-N 1 0 378.307 2.934 20 0 GFADRO Cc1nn(-c2ccc(Cl)cc2)c(Cl)c1CN1CC[N@H+](CCO)[C@@H](C)C1 ZINC000779215808 656907353 /nfs/dbraw/zinc/90/73/53/656907353.db2.gz ZNFAMJXVVSQGFQ-ZDUSSCGKSA-N 1 0 383.323 2.986 20 0 GFADRO CS[C@H]1CN(C(=O)Nc2ccc(N3CCSCC3)cc2)C[C@@H]1[NH+](C)C ZINC000779354629 656921414 /nfs/dbraw/zinc/92/14/14/656921414.db2.gz JRKAPYRZMASMQU-IRXDYDNUSA-N 1 0 380.583 2.749 20 0 GFADRO CC1(C)CN(C(=S)Nc2ccc(OC(F)(F)F)cc2)CC[N@@H+]1CCO ZINC000780225687 656992086 /nfs/dbraw/zinc/99/20/86/656992086.db2.gz UJCARQAQOHLGCR-UHFFFAOYSA-N 1 0 377.432 2.671 20 0 GFADRO CS[C@@H]1CN(S(=O)(=O)c2c(Cl)ccnc2Cl)C[C@@H]1[NH+]1CCCC1 ZINC000782480664 657149492 /nfs/dbraw/zinc/14/94/92/657149492.db2.gz CRTLHZQUKGBLDH-NWDGAFQWSA-N 1 0 396.365 2.589 20 0 GFADRO Cc1cc(N2CCC[C@H]([N@@H+]3C[C@H]4C[C@@]4(CO)C3)C2=O)ccc1Br ZINC000782610923 657162554 /nfs/dbraw/zinc/16/25/54/657162554.db2.gz AVBAZHGCFVNBCI-SKDZVZGDSA-N 1 0 379.298 2.567 20 0 GFADRO O=C(Cn1cc(Br)cn1)O[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000783444275 657231219 /nfs/dbraw/zinc/23/12/19/657231219.db2.gz SAJSNBCBKGCFLO-INIZCTEOSA-N 1 0 378.270 2.853 20 0 GFADRO Cn1nc(Br)cc1C[NH2+]C[C@H](O)c1ccc(OC(F)(F)F)cc1 ZINC000785440847 657364606 /nfs/dbraw/zinc/36/46/06/657364606.db2.gz FPDAJURBVPRIIG-LBPRGKRZSA-N 1 0 394.191 2.904 20 0 GFADRO Cn1nc(Br)cc1C[NH2+]CC1CCN(C(=O)c2ccccc2)CC1 ZINC000785473333 657366565 /nfs/dbraw/zinc/36/65/65/657366565.db2.gz MKNUSYHHFPBXIE-UHFFFAOYSA-N 1 0 391.313 2.825 20 0 GFADRO Cc1cc(N(C)Cc2cccc(Br)c2OCC(C)(C)O)nc(N)[nH+]1 ZINC000786100426 657406702 /nfs/dbraw/zinc/40/67/02/657406702.db2.gz WJJQMDCNVQQJOL-UHFFFAOYSA-N 1 0 395.301 2.916 20 0 GFADRO CC(C)(C)OC(=O)N1CCC[C@@H](C[NH2+]Cc2ccc(S(C)(=O)=O)s2)C1 ZINC000786827442 657471598 /nfs/dbraw/zinc/47/15/98/657471598.db2.gz SOCJEYGDMHJCTH-ZDUSSCGKSA-N 1 0 388.555 2.888 20 0 GFADRO CC(C)(C)OC(=O)NC[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(S(C)(=O)=O)s1 ZINC000786958959 657496293 /nfs/dbraw/zinc/49/62/93/657496293.db2.gz OQLZYKARUJNFBY-GXTWGEPZSA-N 1 0 388.555 2.935 20 0 GFADRO O=C([C@H]1CCC[N@@H+]1C1CC1)N1CCO[C@@H](c2ccccc2Br)C1 ZINC000787286726 657539193 /nfs/dbraw/zinc/53/91/93/657539193.db2.gz LTIURAMJIVUYNZ-IAGOWNOFSA-N 1 0 379.298 2.976 20 0 GFADRO COc1cc(C(=O)N(CC[NH+](C)C)Cc2ccco2)cnc1Br ZINC000788224456 657676180 /nfs/dbraw/zinc/67/61/80/657676180.db2.gz BFXNRMPVNKCJBR-UHFFFAOYSA-N 1 0 382.258 2.650 20 0 GFADRO O=S(=O)(N1CCC(C[NH2+]Cc2cc3ccccc3[nH]2)CC1)C(F)(F)F ZINC000788520816 657736809 /nfs/dbraw/zinc/73/68/09/657736809.db2.gz XZLLMPIOMNHRLN-UHFFFAOYSA-N 1 0 375.416 2.819 20 0 GFADRO CC(C)[C@H](C[NH2+][C@H](C)c1nc(Br)ccc1F)N1CCN(C)CC1 ZINC000788520645 657736834 /nfs/dbraw/zinc/73/68/34/657736834.db2.gz SQBVKDQGAQIORC-HIFRSBDPSA-N 1 0 387.341 2.906 20 0 GFADRO CCN(CCC[NH+]1CCCC1)C(=O)c1sccc1S(=O)(=O)C(F)F ZINC000788547632 657742607 /nfs/dbraw/zinc/74/26/07/657742607.db2.gz LOJDVZIZGFJKMN-UHFFFAOYSA-N 1 0 380.482 2.692 20 0 GFADRO CCOC(=O)[C@H]1[C@@H]([NH2+]CCSC(F)(F)F)CCN1C(=O)OC(C)(C)C ZINC000788558196 657745394 /nfs/dbraw/zinc/74/53/94/657745394.db2.gz TXIYLUFRUBNKGR-WDEREUQCSA-N 1 0 386.436 2.770 20 0 GFADRO COC(=O)c1sc(S(=O)(=O)NCC2([NH+](C)C)CCCC2)c(C)c1Cl ZINC000788597018 657750206 /nfs/dbraw/zinc/75/02/06/657750206.db2.gz QOYFLQLXBYCHJN-UHFFFAOYSA-N 1 0 394.946 2.649 20 0 GFADRO COC(=O)c1cc(Cl)ccc1OS(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000788600609 657751206 /nfs/dbraw/zinc/75/12/06/657751206.db2.gz XWRLLUQMPOGUIM-UHFFFAOYSA-N 1 0 383.853 2.956 20 0 GFADRO COC(=O)c1ccc(OS(=O)(=O)c2ccc(C[NH+](C)C)cc2)cc1Cl ZINC000788668005 657769207 /nfs/dbraw/zinc/76/92/07/657769207.db2.gz ZNNHHYXRNHFWLL-UHFFFAOYSA-N 1 0 383.853 2.956 20 0 GFADRO C[C@@H](C[NH2+][C@@H](C)Cn1cc(Br)ccc1=O)NC(=O)OC(C)(C)C ZINC000788796392 657786772 /nfs/dbraw/zinc/78/67/72/657786772.db2.gz GOIUXYWRBIHJRW-RYUDHWBXSA-N 1 0 388.306 2.502 20 0 GFADRO O=S(=O)(NCC[NH2+][C@@H]1CCc2ccc(Cl)nc21)c1ccc(F)cc1F ZINC000788816986 657787672 /nfs/dbraw/zinc/78/76/72/657787672.db2.gz VXTZWGOUFIDQAP-CYBMUJFWSA-N 1 0 387.839 2.569 20 0 GFADRO Cc1cc(S(=O)(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)sc1Cl ZINC000788891895 657793832 /nfs/dbraw/zinc/79/38/32/657793832.db2.gz GMZNJDIINUGOME-CYBMUJFWSA-N 1 0 378.947 2.632 20 0 GFADRO CCC(CC)[C@@H](CNS(=O)(=O)c1ccc2nc(Cl)cnc2c1)[NH+](C)C ZINC000788919403 657797507 /nfs/dbraw/zinc/79/75/07/657797507.db2.gz ITOUXVWSPJZNMX-MRXNPFEDSA-N 1 0 384.933 2.928 20 0 GFADRO COc1nc(Br)ccc1NC(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000789380388 657845191 /nfs/dbraw/zinc/84/51/91/657845191.db2.gz FTXIEEITFNUIJY-UHFFFAOYSA-N 1 0 383.290 2.849 20 0 GFADRO CCn1c(CNC(=S)NCCC[NH+](C)C)nc2cc(Br)ccc21 ZINC000790354237 657958069 /nfs/dbraw/zinc/95/80/69/657958069.db2.gz CNBCOOIZYMDCIK-UHFFFAOYSA-N 1 0 398.374 2.735 20 0 GFADRO COC[C@@H]1CCC[N@@H+]1Cn1ncc2c1ccc(Br)c2C(=O)OC ZINC000790443295 657979194 /nfs/dbraw/zinc/97/91/94/657979194.db2.gz MCGOTNNTNROUJP-NSHDSACASA-N 1 0 382.258 2.654 20 0 GFADRO Cc1cc(Br)cn2c(CN[C@@H](C)c3nnnn3C3CC3)cnc12 ZINC000791009513 658053353 /nfs/dbraw/zinc/05/33/53/658053353.db2.gz RQHYHPMLSUDJEZ-JTQLQIEISA-N 1 0 376.262 2.577 20 0 GFADRO C[NH+](C)CCn1ccc2ccc(NC(=O)c3cc(Br)[nH]n3)cc21 ZINC000791365591 658087181 /nfs/dbraw/zinc/08/71/81/658087181.db2.gz CVCRGBKQACYKJY-UHFFFAOYSA-N 1 0 376.258 2.941 20 0 GFADRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)Cc2cccnc2Br)[C@H](C)C1 ZINC000791368870 658087548 /nfs/dbraw/zinc/08/75/48/658087548.db2.gz XIGLXQRKSOGMQU-GDBMZVCRSA-N 1 0 398.345 2.640 20 0 GFADRO Cc1ccc(C(=O)OCCCN2CC[NH+](C(C)C)CC2)c(Br)n1 ZINC000792071694 658227531 /nfs/dbraw/zinc/22/75/31/658227531.db2.gz WCEYNTHCDDKPIU-UHFFFAOYSA-N 1 0 384.318 2.725 20 0 GFADRO C[NH+](C)CCCOC(=O)CCOc1cccc(I)c1 ZINC000792259601 658258920 /nfs/dbraw/zinc/25/89/20/658258920.db2.gz ATBDYUOAWMXDAI-UHFFFAOYSA-N 1 0 377.222 2.555 20 0 GFADRO COC(=O)CC[N@H+](C/C=C(/C)C(=O)OC)Cc1cccc(Br)c1 ZINC000792326401 658267782 /nfs/dbraw/zinc/26/77/82/658267782.db2.gz GGKREGVAEHDKCY-QPEQYQDCSA-N 1 0 384.270 2.934 20 0 GFADRO COC(=O)/C=C1\SCC(=O)N1CCC[NH+]1CCC(CC(F)(F)F)CC1 ZINC000792934178 658332096 /nfs/dbraw/zinc/33/20/96/658332096.db2.gz TYNNMIXPMMZYKC-ZROIWOOFSA-N 1 0 380.432 2.631 20 0 GFADRO CC(C)(C)OC(=O)NCC[C@H](O)C[NH2+]Cc1ccc(Br)s1 ZINC000792961107 658335984 /nfs/dbraw/zinc/33/59/84/658335984.db2.gz ZJFWVQXLWFLBNV-JTQLQIEISA-N 1 0 379.320 2.876 20 0 GFADRO CO[C@@H]1CCC[C@H]([NH2+]CCOc2ccc(S(=O)(=O)C(F)(F)F)cc2)C1 ZINC000793029060 658349041 /nfs/dbraw/zinc/34/90/41/658349041.db2.gz NUBUMEVNMGRWJS-GXTWGEPZSA-N 1 0 381.416 2.906 20 0 GFADRO CC1(C)[C@@H]([NH2+]CCNS(=O)(=O)c2cccs2)C[C@@H]1Oc1ccccc1 ZINC000793551075 658404346 /nfs/dbraw/zinc/40/43/46/658404346.db2.gz UDRQXEJEOSFKRB-HOTGVXAUSA-N 1 0 380.535 2.862 20 0 GFADRO COC(=O)[C@H](Cc1ccccc1)[C@@H](C)[NH2+]Cc1cc(Br)nn1C ZINC000793607446 658414860 /nfs/dbraw/zinc/41/48/60/658414860.db2.gz DRNGFZTUYKHIDE-IUODEOHRSA-N 1 0 380.286 2.693 20 0 GFADRO CS[C@H]1CN(C(=O)Cc2sc(SC(F)F)nc2C)C[C@H]1[NH+](C)C ZINC000793739256 658432301 /nfs/dbraw/zinc/43/23/01/658432301.db2.gz BNHNRMBPEGWBPI-KOLCDFICSA-N 1 0 381.539 2.813 20 0 GFADRO C[C@H]([NH2+]C[C@@H](O)CCNC(=O)OC(C)(C)C)c1ccc(Br)cn1 ZINC000794530377 658557632 /nfs/dbraw/zinc/55/76/32/658557632.db2.gz JMYKAXZEXWZHJK-AAEUAGOBSA-N 1 0 388.306 2.770 20 0 GFADRO O=C(Nc1cccc(C[N@H+]2CC[C@@H](O)C2)c1)c1scnc1Br ZINC000794565969 658563022 /nfs/dbraw/zinc/56/30/22/658563022.db2.gz CCUICDNDWZIMPB-GFCCVEGCSA-N 1 0 382.283 2.725 20 0 GFADRO Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1C[NH2+]C[C@@](C)(O)CO ZINC000794748116 658607494 /nfs/dbraw/zinc/60/74/94/658607494.db2.gz JQOXHCVEITVWMD-OAHLLOKOSA-N 1 0 377.794 2.686 20 0 GFADRO C[C@H]([NH2+][C@@H](C)[C@@H]1OCCc2sccc21)C(=O)Nc1sccc1C(N)=O ZINC000795489102 658825205 /nfs/dbraw/zinc/82/52/05/658825205.db2.gz UUFHEVQYFVMINK-BHDSKKPTSA-N 1 0 379.507 2.528 20 0 GFADRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1Cn1c2ccc(Br)cc2oc1=O ZINC000795707641 658843430 /nfs/dbraw/zinc/84/34/30/658843430.db2.gz OHVRPAYJZKABFY-OCCSQVGLSA-N 1 0 380.286 2.873 20 0 GFADRO Cc1cc(Br)cc(C)c1N1CCC[C@H]([NH2+][C@@H](CO)C2CC2)C1=O ZINC000795990672 658879051 /nfs/dbraw/zinc/87/90/51/658879051.db2.gz AMSUEVKIBHPBAO-HOTGVXAUSA-N 1 0 381.314 2.922 20 0 GFADRO O=C1OCC[C@@H]1CC[N@H+](CCn1ccnc1)Cc1ccc(Br)o1 ZINC000796184661 658898467 /nfs/dbraw/zinc/89/84/67/658898467.db2.gz BRPAZFPUFBYTAA-ZDUSSCGKSA-N 1 0 382.258 2.694 20 0 GFADRO COC(=O)C[C@@](C)([NH2+]C[C@@H]1CC2(CC2)C(=O)O1)c1ccc(Br)cc1 ZINC000796497823 658919979 /nfs/dbraw/zinc/91/99/79/658919979.db2.gz ORTBRLNYXPPUAS-WMLDXEAASA-N 1 0 396.281 2.913 20 0 GFADRO COCCS(=O)(=O)CCC[NH2+][C@@H](C)c1ccc(Br)cc1F ZINC000796696519 658931932 /nfs/dbraw/zinc/93/19/32/658931932.db2.gz UGNWWOPAEMXYBL-NSHDSACASA-N 1 0 382.295 2.690 20 0 GFADRO C[NH+]1CCC(NC(=S)Nc2ccc(Cl)c(CN3CCOCC3)c2)CC1 ZINC000797410634 659017757 /nfs/dbraw/zinc/01/77/57/659017757.db2.gz VZYLFLLXJXWJFL-UHFFFAOYSA-N 1 0 382.961 2.553 20 0 GFADRO COCCN(CC[NH+](C)C)C(=O)Cc1sc(SC(F)(F)F)nc1C ZINC000798289688 659092769 /nfs/dbraw/zinc/09/27/69/659092769.db2.gz QZDPIQJNVUZPGH-UHFFFAOYSA-N 1 0 385.477 2.643 20 0 GFADRO COc1cc(Br)ccc1CCC[N@@H+]1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC000799180299 659171084 /nfs/dbraw/zinc/17/10/84/659171084.db2.gz ULSSGTZYVNTMOP-HIFRSBDPSA-N 1 0 383.286 2.821 20 0 GFADRO C[C@@H]([NH2+]CCNS(=O)(=O)c1ccc(F)cc1F)c1ccc(Cl)nc1 ZINC000799726690 659217399 /nfs/dbraw/zinc/21/73/99/659217399.db2.gz RGWJGNYQWDPNES-SNVBAGLBSA-N 1 0 375.828 2.642 20 0 GFADRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)NC[C@H](O)c2cccc(Br)c2)C1 ZINC000799959597 659250050 /nfs/dbraw/zinc/25/00/50/659250050.db2.gz IBNSRIUJGONZIZ-JYJNAYRXSA-N 1 0 384.318 2.655 20 0 GFADRO CC[NH+](CC)CCCOC(=O)CNS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000800111294 659271971 /nfs/dbraw/zinc/27/19/71/659271971.db2.gz VYCFHDPQMBOKRF-UHFFFAOYSA-N 1 0 397.324 2.547 20 0 GFADRO CNS(=O)(=O)c1ccc(Cl)c(C(=O)OCCC[NH+]2CCCC2)c1Cl ZINC000800179869 659286768 /nfs/dbraw/zinc/28/67/68/659286768.db2.gz XZXPSYVAWGEHRY-UHFFFAOYSA-N 1 0 395.308 2.544 20 0 GFADRO O=C(OCCC[NH+]1CCCCC1)c1cc2c(cc1Br)NC(=O)CO2 ZINC000800197162 659290089 /nfs/dbraw/zinc/29/00/89/659290089.db2.gz FWMKBQLELCSANT-UHFFFAOYSA-N 1 0 397.269 2.813 20 0 GFADRO Cc1nn(C)c(Br)c1C(=O)N[C@H](C)C[N@H+](C)Cc1ccccc1 ZINC000800934965 659353233 /nfs/dbraw/zinc/35/32/33/659353233.db2.gz CLLZWLCADBZIMY-GFCCVEGCSA-N 1 0 379.302 2.741 20 0 GFADRO CC[NH+](CC)[C@@H](CNC(=O)c1c(C)nn(C)c1Br)c1ccco1 ZINC000801089963 659367277 /nfs/dbraw/zinc/36/72/77/659367277.db2.gz ZSZMXYWCCMADMG-LBPRGKRZSA-N 1 0 383.290 2.897 20 0 GFADRO C[C@@H](CNC(=O)NC[C@@H](O)c1cccc(Br)c1)[NH+]1CCCCC1 ZINC000801754273 659423039 /nfs/dbraw/zinc/42/30/39/659423039.db2.gz CQPGZCXEAKKMKL-XJKSGUPXSA-N 1 0 384.318 2.656 20 0 GFADRO CN(CCC[N@H+](C)Cc1ccco1)C(=O)Cc1cccnc1Br ZINC000804868895 659690506 /nfs/dbraw/zinc/69/05/06/659690506.db2.gz GRZHRGTZWQSPLC-UHFFFAOYSA-N 1 0 380.286 2.960 20 0 GFADRO O=S(=O)(N[C@H](C[NH+]1CCCC1)c1ccccc1)c1cnc(Cl)c(F)c1 ZINC000804945637 659699953 /nfs/dbraw/zinc/69/99/53/659699953.db2.gz LWBLDTYPSBWXSH-MRXNPFEDSA-N 1 0 383.876 2.990 20 0 GFADRO CC[NH+]1CCN(CC(=O)Nc2ccc(Cl)c(SC(=O)N(C)C)c2)CC1 ZINC000805435295 659778104 /nfs/dbraw/zinc/77/81/04/659778104.db2.gz DQXGOGGQMBMNGX-UHFFFAOYSA-N 1 0 384.933 2.690 20 0 GFADRO C[C@@H]([NH2+]C[C@@H](O)Cc1cccc(Cl)c1)c1ccc(NS(C)(=O)=O)cc1 ZINC000805746569 659806801 /nfs/dbraw/zinc/80/68/01/659806801.db2.gz BAKXEWCZIQKKRS-ACJLOTCBSA-N 1 0 382.913 2.966 20 0 GFADRO C[NH+](C)CCOCCNC(=O)Nc1cc(C(F)(F)F)cc(Br)n1 ZINC000806802276 659841839 /nfs/dbraw/zinc/84/18/39/659841839.db2.gz KQLIQQSNPHXVLY-UHFFFAOYSA-N 1 0 399.211 2.563 20 0 GFADRO C[NH+]1CCN(c2ccccc2NC(=O)c2ncsc2Br)CC1 ZINC000808012520 659873006 /nfs/dbraw/zinc/87/30/06/659873006.db2.gz MJKYGKAVKZBGJU-UHFFFAOYSA-N 1 0 381.299 2.910 20 0 GFADRO C[C@@H](Sc1nc2ccccc2s1)C(=O)N[C@H](CO)C[NH+]1CCCCC1 ZINC000808080562 659875742 /nfs/dbraw/zinc/87/57/42/659875742.db2.gz FMXDFWYSFNUZQH-KGLIPLIRSA-N 1 0 379.551 2.740 20 0 GFADRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1CN1Cc2cccc(Br)c2C1=O ZINC000808194392 659881555 /nfs/dbraw/zinc/88/15/55/659881555.db2.gz YBGYTUKKPCXDSD-BBRMVZONSA-N 1 0 378.314 2.921 20 0 GFADRO COCC(C)(C)CCC[NH2+]Cc1c(C)nn([C@H]2CCS(=O)(=O)C2)c1Cl ZINC000808428886 659893922 /nfs/dbraw/zinc/89/39/22/659893922.db2.gz UAZWTUKIWCYCBQ-AWEZNQCLSA-N 1 0 391.965 2.747 20 0 GFADRO C[N@H+](CCn1cc(Br)cn1)[C@@H]1CCCN(Cc2ccccc2)C1=O ZINC000808802118 659907027 /nfs/dbraw/zinc/90/70/27/659907027.db2.gz HGBFTOBNALDSMB-QGZVFWFLSA-N 1 0 391.313 2.769 20 0 GFADRO Cc1c(Br)cccc1CC(=O)N(C)CCC[N@@H+](C)CCN(C)C ZINC000809193835 659919092 /nfs/dbraw/zinc/91/90/92/659919092.db2.gz DLEALABZPYHTRM-UHFFFAOYSA-N 1 0 384.362 2.642 20 0 GFADRO OC1CC[NH+](Cc2ccc(CNc3cnc(Br)cn3)cc2)CC1 ZINC000809353317 659923853 /nfs/dbraw/zinc/92/38/53/659923853.db2.gz UVWAMMTWDKLWIX-UHFFFAOYSA-N 1 0 377.286 2.808 20 0 GFADRO COCc1cc(Cl)cc(S(=O)(=O)N2CCCC3(CC[NH+](C)CC3)C2)c1 ZINC000810076831 659959301 /nfs/dbraw/zinc/95/93/01/659959301.db2.gz KPRBSORWBIEWHX-UHFFFAOYSA-N 1 0 386.945 2.983 20 0 GFADRO C[C@@H]([NH2+]Cc1cccnc1N1CCOCC1)c1ccc(Br)nc1 ZINC000810208939 659966369 /nfs/dbraw/zinc/96/63/69/659966369.db2.gz HSOYYVLJFSZPIA-CYBMUJFWSA-N 1 0 377.286 2.927 20 0 GFADRO COc1ccc(C(=O)NCC[NH2+][C@H](C)c2ccc(Br)nc2)cc1 ZINC000810223756 659967209 /nfs/dbraw/zinc/96/72/09/659967209.db2.gz PVWMNVJOFZFMBJ-GFCCVEGCSA-N 1 0 378.270 2.933 20 0 GFADRO O=C(O[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(Br)cc1-n1cncn1 ZINC000810848954 659988296 /nfs/dbraw/zinc/98/82/96/659988296.db2.gz XUMBATVMFNBKEA-ZIAGYGMSSA-N 1 0 391.269 2.813 20 0 GFADRO CC(C)[NH+]1CCC(NC(=O)COC(=O)c2c(N)cc(Cl)cc2Cl)CC1 ZINC000811322665 660006238 /nfs/dbraw/zinc/00/62/38/660006238.db2.gz RAXXZEVDAYQCJP-UHFFFAOYSA-N 1 0 388.295 2.721 20 0 GFADRO CCN(C[C@H](C)OC)CN1C(=O)N[C@@](C)(c2ccc(Br)cc2)C1=O ZINC000812303336 660023115 /nfs/dbraw/zinc/02/31/15/660023115.db2.gz OTUSAAHMNOXSPJ-SJCJKPOMSA-N 1 0 398.301 2.530 20 0 GFADRO Cc1ccc(I)c(C(=O)N2C[C@@H]3C[N@H+](C)CC[C@@H]3C2)c1 ZINC000812327296 660023987 /nfs/dbraw/zinc/02/39/87/660023987.db2.gz ICBGVLYQRYNOQD-OLZOCXBDSA-N 1 0 384.261 2.623 20 0 GFADRO Cc1ccc(I)cc1C(=O)N1C[C@@H]2C[N@H+](C)CC[C@@H]2C1 ZINC000812327055 660024005 /nfs/dbraw/zinc/02/40/05/660024005.db2.gz ZAWLTBOQKKGQQH-OLZOCXBDSA-N 1 0 384.261 2.623 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3c(O)cnc4c(Br)cccc43)C[C@@H]2C1 ZINC000812329377 660024179 /nfs/dbraw/zinc/02/41/79/660024179.db2.gz IYXQZGMVTIDOGO-NEPJUHHUSA-N 1 0 390.281 2.727 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)N2CCOc3ncc(Br)cc32)C1 ZINC000813167690 660045836 /nfs/dbraw/zinc/04/58/36/660045836.db2.gz BGNSCLWELBYPLQ-MRXNPFEDSA-N 1 0 386.265 2.782 20 0 GFADRO C[NH+]1CCC(CC(=O)NC[C@](O)(c2ccc(Cl)cc2)C(F)(F)F)CC1 ZINC000813474659 660055207 /nfs/dbraw/zinc/05/52/07/660055207.db2.gz YRXOERKXZSGKRO-INIZCTEOSA-N 1 0 378.822 2.938 20 0 GFADRO COc1ccc(NC(=O)CCCC[NH+](C)C)c(I)c1 ZINC000813539325 660056871 /nfs/dbraw/zinc/05/68/71/660056871.db2.gz KHHRWVKXYJYXOY-UHFFFAOYSA-N 1 0 376.238 2.970 20 0 GFADRO COc1c(Br)cc(Cl)cc1S(=O)(=O)NC[C@@H](C)C[NH+](C)C ZINC000813728858 660062393 /nfs/dbraw/zinc/06/23/93/660062393.db2.gz FYWPMWYXRCNRMP-SECBINFHSA-N 1 0 399.738 2.587 20 0 GFADRO CNC(=O)[C@@H](C)C[N@H+](C)C[C@](C)(O)c1ccc(Br)cc1Cl ZINC000815056838 660108018 /nfs/dbraw/zinc/10/80/18/660108018.db2.gz BQJGYCQZCHOYJO-BONVTDFDSA-N 1 0 377.710 2.624 20 0 GFADRO OC[C@]1([C@@H]([NH2+]C[C@H](O)c2ccc(F)c(Br)c2)C2CC2)CCCO1 ZINC000815292850 660120189 /nfs/dbraw/zinc/12/01/89/660120189.db2.gz RHLDKEGUPAHARR-ULQDDVLXSA-N 1 0 388.277 2.531 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cn3c(Br)cnc3s2)[C@H](C)C1 ZINC000815684444 660128392 /nfs/dbraw/zinc/12/83/92/660128392.db2.gz OKWJCLGIIRIOQK-GHMZBOCLSA-N 1 0 385.331 2.961 20 0 GFADRO Cn1cc(Br)c(C(=O)OCCCOCCC[NH+]2CCCCC2)n1 ZINC000815951109 660137537 /nfs/dbraw/zinc/13/75/37/660137537.db2.gz SMDWYVYEDUDMOG-UHFFFAOYSA-N 1 0 388.306 2.622 20 0 GFADRO Cn1nnc(Br)c1COC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000816149472 660147266 /nfs/dbraw/zinc/14/72/66/660147266.db2.gz XFGKZQGPQFSIRA-UHFFFAOYSA-N 1 0 379.258 2.530 20 0 GFADRO CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+]C[C@H](O)c2ccc(OC(F)(F)F)cc2)C1 ZINC000816544591 660160847 /nfs/dbraw/zinc/16/08/47/660160847.db2.gz NAVZJRRVZJPJPD-CFVMTHIKSA-N 1 0 381.416 2.564 20 0 GFADRO O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)c1nc(Cl)sc1Cl ZINC000816869541 660170970 /nfs/dbraw/zinc/17/09/70/660170970.db2.gz VBPXMYYUDGJYJU-UHFFFAOYSA-N 1 0 399.347 2.998 20 0 GFADRO O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)c1snc(Cl)c1Cl ZINC000816869294 660171055 /nfs/dbraw/zinc/17/10/55/660171055.db2.gz MMHFMUJXHGDKBY-UHFFFAOYSA-N 1 0 399.347 2.998 20 0 GFADRO C[C@](O)(CNC(=O)C1CC[NH+]([C@H]2CCSC2)CC1)c1cccc(Cl)c1 ZINC000816971101 660175282 /nfs/dbraw/zinc/17/52/82/660175282.db2.gz SZTRAWWMLVWAOW-HKUYNNGSSA-N 1 0 382.957 2.881 20 0 GFADRO COC(=O)c1sc(S(=O)(=O)NCC[C@@H]2CCC[N@H+](C)C2)c(C)c1Cl ZINC000841545992 661295393 /nfs/dbraw/zinc/29/53/93/661295393.db2.gz BLTZWHLFFIMAQC-NSHDSACASA-N 1 0 394.946 2.507 20 0 GFADRO [NH3+]CCc1ccc(CNC(=O)NCCOc2ccc(Br)cc2)cc1 ZINC000841750982 661311795 /nfs/dbraw/zinc/31/17/95/661311795.db2.gz UQLLVZDGGPBRFV-UHFFFAOYSA-N 1 0 392.297 2.829 20 0 GFADRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N1CCO[C@H](c2ccccc2Br)C1 ZINC000841988511 661318889 /nfs/dbraw/zinc/31/88/89/661318889.db2.gz LADDGIMIFDLBOV-WQVCFCJDSA-N 1 0 382.302 2.530 20 0 GFADRO CCC[C@@H]([NH2+]Cc1ccc(S(N)(=O)=O)c(Cl)c1)[C@@H](O)c1ccccc1 ZINC000842207654 661327852 /nfs/dbraw/zinc/32/78/52/661327852.db2.gz PDKKYFAENAOAPP-AEFFLSMTSA-N 1 0 382.913 2.979 20 0 GFADRO CC(C)(C)OC(=O)N1CCCN(CCOC(=O)C2SCCCS2)CC1 ZINC000842341738 661334086 /nfs/dbraw/zinc/33/40/86/661334086.db2.gz SGJXWGSCRFPRIE-UHFFFAOYSA-N 1 0 390.571 2.669 20 0 GFADRO [NH3+][C@@H]1CN(S(=O)(=O)c2c(Cl)ccnc2Cl)C[C@H]1c1ccccc1F ZINC000842485442 661341701 /nfs/dbraw/zinc/34/17/01/661341701.db2.gz UILMBALZKGRYNH-GXFFZTMASA-N 1 0 390.267 2.643 20 0 GFADRO CC(=O)N[C@H](Cc1nc([C@H]2CCC[NH2+]C2)no1)c1ccc(Br)cc1 ZINC000842663549 661347948 /nfs/dbraw/zinc/34/79/48/661347948.db2.gz BRYVQPLEGWJAIO-DZGCQCFKSA-N 1 0 393.285 2.719 20 0 GFADRO O=C1C[C@@H](c2nc([C@H]3CCC[NH2+]C3)no2)CN1c1cccc(Br)c1 ZINC000842666117 661348111 /nfs/dbraw/zinc/34/81/11/661348111.db2.gz WDLUOJYQUMNZOG-NWDGAFQWSA-N 1 0 391.269 2.820 20 0 GFADRO C[C@H](NC(=O)c1ccc(Br)s1)c1nc([C@H]2CCC[NH2+]C2)no1 ZINC000842665620 661348148 /nfs/dbraw/zinc/34/81/48/661348148.db2.gz RPMAGPUPKOKMAU-IUCAKERBSA-N 1 0 385.287 2.852 20 0 GFADRO COc1c(F)cc(Br)cc1S(=O)(=O)N[C@](C)(C[NH3+])CC(C)C ZINC000842722439 661350981 /nfs/dbraw/zinc/35/09/81/661350981.db2.gz HERDWWLKNVSMDP-AWEZNQCLSA-N 1 0 397.310 2.639 20 0 GFADRO COc1ccc2nc(Cl)ccc2c1S(=O)(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000842722514 661351038 /nfs/dbraw/zinc/35/10/38/661351038.db2.gz QPVLERUSVFAWAU-NEPJUHHUSA-N 1 0 383.901 2.645 20 0 GFADRO COCCCOc1ccc(Cl)cc1S(=O)(=O)N[C@@](C)(C[NH3+])CC(C)C ZINC000842723599 661351238 /nfs/dbraw/zinc/35/12/38/661351238.db2.gz VSSVALGPQDHKJV-QGZVFWFLSA-N 1 0 392.949 2.797 20 0 GFADRO CC[C@H]1CN(S(=O)(=O)c2c(OC)ccc3nc(Cl)ccc32)CC[C@@H]1[NH3+] ZINC000842794366 661354528 /nfs/dbraw/zinc/35/45/28/661354528.db2.gz ZTYIPZRRWFYTMY-AAEUAGOBSA-N 1 0 383.901 2.645 20 0 GFADRO COc1ccc2nc(Cl)ccc2c1S(=O)(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000842827506 661356698 /nfs/dbraw/zinc/35/66/98/661356698.db2.gz KDMQDHZQMFDXMQ-KRWDZBQOSA-N 1 0 383.901 2.565 20 0 GFADRO CC(C)[N@@H+]1CCC[C@H](COC(=O)c2ccc(S(=O)(=O)C(F)F)cc2)C1 ZINC000842833469 661356797 /nfs/dbraw/zinc/35/67/97/661356797.db2.gz KDQYLKWFXZQQMC-ZDUSSCGKSA-N 1 0 375.437 2.960 20 0 GFADRO Cc1c(Br)cc(C(=O)OC[C@@H]2CCC[N@@H+](C(C)C)C2)c(=O)n1C ZINC000842834705 661356946 /nfs/dbraw/zinc/35/69/46/661356946.db2.gz WNHCXPFFPKYYKP-CYBMUJFWSA-N 1 0 385.302 2.733 20 0 GFADRO CC(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@@H]2[NH2+]CCc3ccccc32)c1 ZINC000842856981 661357264 /nfs/dbraw/zinc/35/72/64/661357264.db2.gz AXFJEYUAJPEPIT-KRWDZBQOSA-N 1 0 378.881 2.708 20 0 GFADRO CCC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000842894921 661359228 /nfs/dbraw/zinc/35/92/28/661359228.db2.gz VSEWCBUHGRLKRA-HUUCEWRRSA-N 1 0 384.929 2.943 20 0 GFADRO C[C@H]([NH2+]CC(C)(C)[C@]1(O)CCOC1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000842915172 661360268 /nfs/dbraw/zinc/36/02/68/661360268.db2.gz CZPUPZMSKMROAJ-SJCJKPOMSA-N 1 0 377.453 2.511 20 0 GFADRO C[C@](O)(C[NH2+]C[C@H](O)COCC1CC1)c1ccc(Br)cc1Cl ZINC000843068027 661365920 /nfs/dbraw/zinc/36/59/20/661365920.db2.gz IXWLMCXIHOCXNT-BBRMVZONSA-N 1 0 392.721 2.687 20 0 GFADRO Cc1cccc(OC[C@@H](O)C[NH2+]C[C@H](O)c2cccc(Br)c2)c1 ZINC000843068430 661366091 /nfs/dbraw/zinc/36/60/91/661366091.db2.gz JKXODFIZOQOMQQ-WMZOPIPTSA-N 1 0 380.282 2.820 20 0 GFADRO Cc1cccc(OC[C@@H](O)C[NH2+]C[C@@H](O)c2ccc(F)c(Br)c2)c1 ZINC000843070400 661366144 /nfs/dbraw/zinc/36/61/44/661366144.db2.gz UHDQRWZEYOJHQO-KBXCAEBGSA-N 1 0 398.272 2.960 20 0 GFADRO COc1ccc([C@H](CO)C[NH2+]C[C@@H](O)c2ccc(F)c(Br)c2)cc1 ZINC000843092770 661367540 /nfs/dbraw/zinc/36/75/40/661367540.db2.gz DUJJNRSIBSTEIV-KBXCAEBGSA-N 1 0 398.272 2.996 20 0 GFADRO Cc1ccc([C@@H](O)C[NH2+]C[C@H](O)COc2ccccc2Br)cc1 ZINC000843098067 661367962 /nfs/dbraw/zinc/36/79/62/661367962.db2.gz UUEXNJQZXKVLPL-RDJZCZTQSA-N 1 0 380.282 2.820 20 0 GFADRO Cn1ccnc1[C@H]([NH2+]C[C@@H](O)c1cccc(Br)c1)C(C)(C)CO ZINC000843114658 661369231 /nfs/dbraw/zinc/36/92/31/661369231.db2.gz BTMMTKOVUXMHBM-CABCVRRESA-N 1 0 382.302 2.565 20 0 GFADRO COc1ccc(Cc2noc(CC[C@@H]3CC[NH2+]C3)n2)c(Br)c1OC ZINC000843203503 661372439 /nfs/dbraw/zinc/37/24/39/661372439.db2.gz SNAWTGHIEYBSCV-LLVKDONJSA-N 1 0 396.285 2.982 20 0 GFADRO COc1ccc(Cc2noc(CC3CC[NH2+]CC3)n2)c(Br)c1OC ZINC000843203500 661372509 /nfs/dbraw/zinc/37/25/09/661372509.db2.gz SMXZDGRHHJLFMS-UHFFFAOYSA-N 1 0 396.285 2.982 20 0 GFADRO COc1ccc(Cc2noc(CC3([NH3+])CCC3)n2)c(Br)c1OC ZINC000843203365 661372514 /nfs/dbraw/zinc/37/25/14/661372514.db2.gz RCBQZSYFDPUXBR-UHFFFAOYSA-N 1 0 382.258 2.864 20 0 GFADRO Fc1cccc(Cc2noc(C[NH2+]CC3CC3)n2)c1I ZINC000843208981 661372951 /nfs/dbraw/zinc/37/29/51/661372951.db2.gz NAYFVWVJQCCTHW-UHFFFAOYSA-N 1 0 387.196 2.904 20 0 GFADRO O=C(Cc1noc(C[C@@H]2CSCC[NH2+]2)n1)Nc1cccc(Cl)c1Cl ZINC000843214591 661373388 /nfs/dbraw/zinc/37/33/88/661373388.db2.gz HAHDJVCXCLHOKW-SECBINFHSA-N 1 0 387.292 2.805 20 0 GFADRO [NH3+]CCOCc1nc(-c2cc(Br)sc2Br)no1 ZINC000843224325 661373643 /nfs/dbraw/zinc/37/36/43/661373643.db2.gz JFVKPRUCHJGCBY-UHFFFAOYSA-N 1 0 383.065 2.798 20 0 GFADRO Ic1ccc(OCc2noc(CC3CC[NH2+]CC3)n2)cc1 ZINC000843226900 661373872 /nfs/dbraw/zinc/37/38/72/661373872.db2.gz OIWLGGRITUTIKZ-UHFFFAOYSA-N 1 0 399.232 2.795 20 0 GFADRO [NH3+]CC1(c2nc(C3(c4ccc(Br)cc4)CCOCC3)no2)CC1 ZINC000843230953 661374578 /nfs/dbraw/zinc/37/45/78/661374578.db2.gz UWLPNCSFXLHIAB-UHFFFAOYSA-N 1 0 378.270 2.919 20 0 GFADRO O=C(CO[C@H]1CCC[NH2+]C1)NCC1(c2cccc(Br)c2)CCC1 ZINC000843397974 661379597 /nfs/dbraw/zinc/37/95/97/661379597.db2.gz VGAIYMOBLYTDPI-INIZCTEOSA-N 1 0 381.314 2.756 20 0 GFADRO CCOC(=O)c1cc(C[NH2+]C(C)(C)[C@@H](O)c2ccc(Br)cc2)[nH]n1 ZINC000843403506 661379700 /nfs/dbraw/zinc/37/97/00/661379700.db2.gz HIQBCQLEQZADLI-HNNXBMFYSA-N 1 0 396.285 2.951 20 0 GFADRO COc1ccc(Br)cc1[C@H]1CCCN1C(=O)CO[C@H]1CCC[NH2+]C1 ZINC000843416753 661380915 /nfs/dbraw/zinc/38/09/15/661380915.db2.gz WCCMDIUJDBJKDG-GOEBONIOSA-N 1 0 397.313 2.890 20 0 GFADRO O=C(Nc1cnn(C2CC[NH2+]CC2)c1)[C@@H]1COc2ccc(Br)cc21 ZINC000843459110 661382464 /nfs/dbraw/zinc/38/24/64/661382464.db2.gz MHHAPRQXCWFNCA-OAHLLOKOSA-N 1 0 391.269 2.685 20 0 GFADRO C[NH+]1CCC2(CC1)CN(C(=O)c1cc3ccc(Br)cc3[nH]1)CCO2 ZINC000844096926 661404161 /nfs/dbraw/zinc/40/41/61/661404161.db2.gz LHHKRIHOWNVZPK-UHFFFAOYSA-N 1 0 392.297 2.867 20 0 GFADRO COc1ccccc1OCC[N@H+](C)Cc1cc(Cl)cc(S(N)(=O)=O)c1 ZINC000844277420 661412246 /nfs/dbraw/zinc/41/22/46/661412246.db2.gz AJAKEAQWXVEVNX-UHFFFAOYSA-N 1 0 384.885 2.507 20 0 GFADRO CCCS(=O)(=O)CC[N@@H+]1CCC[C@@H](C)[C@H]1CCNC(=O)OC(C)(C)C ZINC000844395070 661418447 /nfs/dbraw/zinc/41/84/47/661418447.db2.gz BFVCDQUYJRMTDE-HZPDHXFCSA-N 1 0 376.563 2.827 20 0 GFADRO CCCS(=O)(=O)CC[N@@H+]1CCC[C@@H](C)[C@@H]1CCNC(=O)OC(C)(C)C ZINC000844395065 661418749 /nfs/dbraw/zinc/41/87/49/661418749.db2.gz BFVCDQUYJRMTDE-CVEARBPZSA-N 1 0 376.563 2.827 20 0 GFADRO COC/C(C)=C/C(=O)Nc1cc(Br)ccc1N(C)CC[NH+](C)C ZINC000844604992 661429648 /nfs/dbraw/zinc/42/96/48/661429648.db2.gz ZJXUTWFPOXVTQV-JLHYYAGUSA-N 1 0 384.318 2.978 20 0 GFADRO O=C(NCCC[C@@H]1CC1(Cl)Cl)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000844998826 661452744 /nfs/dbraw/zinc/45/27/44/661452744.db2.gz JDEHDLUNDGHDID-ZIAGYGMSSA-N 1 0 378.344 2.761 20 0 GFADRO C[NH+](C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)OC[C@@]1(C)CC1(Cl)Cl ZINC000845240145 661462885 /nfs/dbraw/zinc/46/28/85/661462885.db2.gz SIEVLZCTWURUBR-XHDPSFHLSA-N 1 0 383.316 2.959 20 0 GFADRO Cn1cncc1[C@@H]1[C@@H](COC(=O)[C@@H]2CSCCS2)CCC[N@@H+]1C1CC1 ZINC000845813459 661498190 /nfs/dbraw/zinc/49/81/90/661498190.db2.gz USQIKIIOZTWTTI-COXVUDFISA-N 1 0 381.567 2.727 20 0 GFADRO O=C(NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1snc(Cl)c1Cl ZINC000845832042 661499407 /nfs/dbraw/zinc/49/94/07/661499407.db2.gz OOACJELKEKWYMY-WDEREUQCSA-N 1 0 378.325 2.948 20 0 GFADRO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(C(=O)NCCC[C@@H]2CC2(Cl)Cl)CC1 ZINC000846208739 661538421 /nfs/dbraw/zinc/53/84/21/661538421.db2.gz KIQGSOGRKVYHCR-RBSFLKMASA-N 1 0 378.344 2.888 20 0 GFADRO Cc1cc(Br)nc(NC(=O)N2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)c1 ZINC000846310312 661544444 /nfs/dbraw/zinc/54/44/44/661544444.db2.gz LIMFTWPIOYLSSL-MJBXVCDLSA-N 1 0 397.317 2.903 20 0 GFADRO C[C@H]1CCCN(C(=O)c2ccc(S(=O)(=O)C(F)(F)F)cc2)[C@@H]1CC[NH3+] ZINC000846694079 661561978 /nfs/dbraw/zinc/56/19/78/661561978.db2.gz MFPNWAWVHNUZQZ-SMDDNHRTSA-N 1 0 378.416 2.570 20 0 GFADRO C[NH+](C)CCOc1ccccc1N1CCN(CC2(Br)CC2)CC1 ZINC000846824383 661567348 /nfs/dbraw/zinc/56/73/48/661567348.db2.gz CIZRINIWINOVGP-UHFFFAOYSA-N 1 0 382.346 2.677 20 0 GFADRO BrC1(CN2CCN([C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)CC1 ZINC000846898617 661569739 /nfs/dbraw/zinc/56/97/39/661569739.db2.gz ISOBVMATAGTBJP-GOSISDBHSA-N 1 0 378.358 2.806 20 0 GFADRO COC(=O)/C=C1\SCC(=O)N1CCC[NH2+][C@@H](C)C1CCC(F)(F)CC1 ZINC000847072501 661575257 /nfs/dbraw/zinc/57/52/57/661575257.db2.gz CHTLBIKHVSZQIL-GQVHDAKQSA-N 1 0 376.469 2.770 20 0 GFADRO C[C@]1(CNC(=O)c2cc(Br)n[nH]2)CC[N@H+](Cc2ccccc2)C1 ZINC000847090912 661575988 /nfs/dbraw/zinc/57/59/88/661575988.db2.gz LQSJURBZECASBC-QGZVFWFLSA-N 1 0 377.286 2.814 20 0 GFADRO CCS(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)c1Cl ZINC000847182358 661580112 /nfs/dbraw/zinc/58/01/12/661580112.db2.gz YJQMVBHNBJSTPH-PHIMTYICSA-N 1 0 393.336 2.857 20 0 GFADRO O=C(c1cnc(Cl)c(Br)c1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000847297863 661586440 /nfs/dbraw/zinc/58/64/40/661586440.db2.gz GDWOVOGUGMMBEH-UHFFFAOYSA-N 1 0 381.661 2.855 20 0 GFADRO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)c1nc(F)ccc1Br ZINC000847368298 661589595 /nfs/dbraw/zinc/58/95/95/661589595.db2.gz ZQQMLFHKWUGDMA-CYBMUJFWSA-N 1 0 380.261 2.886 20 0 GFADRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)c2nc(F)ccc2Br)C1 ZINC000847543388 661596215 /nfs/dbraw/zinc/59/62/15/661596215.db2.gz HJBRMBQCKRCCBS-LBPRGKRZSA-N 1 0 388.281 2.556 20 0 GFADRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)c2nc(F)ccc2Br)C1 ZINC000847543387 661596343 /nfs/dbraw/zinc/59/63/43/661596343.db2.gz HJBRMBQCKRCCBS-GFCCVEGCSA-N 1 0 388.281 2.556 20 0 GFADRO C[N@@H+]1CC[C@H](CCOC(=O)c2ccc(Br)cc2-n2cncn2)C1 ZINC000847824156 661612169 /nfs/dbraw/zinc/61/21/69/661612169.db2.gz OXLAEUPXSTXIIO-GFCCVEGCSA-N 1 0 379.258 2.528 20 0 GFADRO CC[NH+](CC)CC[C@H](CO)NC(=O)Cc1ccc(Cl)cc1Br ZINC000848025038 661621196 /nfs/dbraw/zinc/62/11/96/661621196.db2.gz MPHANMMKAOYGSD-CQSZACIVSA-N 1 0 391.737 2.854 20 0 GFADRO Cn1nnc2c1CC[C@H]([NH2+]Cc1nc3ccc(Br)cc3s1)C2 ZINC000848565881 661665359 /nfs/dbraw/zinc/66/53/59/661665359.db2.gz NPHAKCYNXFFBBJ-JTQLQIEISA-N 1 0 378.299 2.834 20 0 GFADRO Brc1cccc(-c2nc(-c3noc(CC[NH2+]C4CC4)n3)n[nH]2)c1 ZINC000848632996 661669104 /nfs/dbraw/zinc/66/91/04/661669104.db2.gz YVCKKTZKBSTHKZ-UHFFFAOYSA-N 1 0 375.230 2.579 20 0 GFADRO S=C(NCCSc1ccccc1)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000848659125 661671155 /nfs/dbraw/zinc/67/11/55/661671155.db2.gz SZYAGXIUUYCJGU-QGZVFWFLSA-N 1 0 379.595 2.840 20 0 GFADRO COC(=O)Cc1ccccc1C[NH2+]C[C@H](O)c1ccccc1Br ZINC000848677785 661671868 /nfs/dbraw/zinc/67/18/68/661671868.db2.gz GJQCGSSXOXOTPP-KRWDZBQOSA-N 1 0 378.266 2.988 20 0 GFADRO COc1ccccc1CNC(=[NH2+])NC[C@H](O)c1cccc(Br)c1 ZINC000848987283 661690039 /nfs/dbraw/zinc/69/00/39/661690039.db2.gz XEEIYTFQZQFYGX-HNNXBMFYSA-N 1 0 378.270 2.805 20 0 GFADRO C[C@@H]1CN(C(=[NH2+])NCc2ccc(I)c(Cl)c2)CCO1 ZINC000848988020 661690098 /nfs/dbraw/zinc/69/00/98/661690098.db2.gz YYQHRZURNTUIRJ-SECBINFHSA-N 1 0 393.656 2.690 20 0 GFADRO Cc1nc(-c2ccc(CNC(=[NH2+])NCCCN3CCOCC3)s2)cs1 ZINC000849055695 661690501 /nfs/dbraw/zinc/69/05/01/661690501.db2.gz YXESBEQUTULQRJ-UHFFFAOYSA-N 1 0 379.555 2.516 20 0 GFADRO COc1ccc(Br)cc1C[C@H](CO)CNC(=[NH2+])NCC1CCC1 ZINC000849117090 661693618 /nfs/dbraw/zinc/69/36/18/661693618.db2.gz SUSNFRMCGXNYBZ-ZDUSSCGKSA-N 1 0 384.318 2.523 20 0 GFADRO CC(=O)NCc1ccc(C[NH2+]C[C@@H](O)c2ccc(Br)cc2)cc1 ZINC000849327270 661706062 /nfs/dbraw/zinc/70/60/62/661706062.db2.gz JYJXRRMNSPWHSK-GOSISDBHSA-N 1 0 377.282 2.908 20 0 GFADRO O=C1N[C@@H](c2ccccc2Br)C(=O)N1C1CC[NH+](CC2CC2)CC1 ZINC000849351047 661708227 /nfs/dbraw/zinc/70/82/27/661708227.db2.gz AMRSFSDDXLEJPU-INIZCTEOSA-N 1 0 392.297 2.916 20 0 GFADRO Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)Nc2cc(Cl)c(N)c(Cl)c2)cn1 ZINC000849486426 661733336 /nfs/dbraw/zinc/73/33/36/661733336.db2.gz KNHSWDFDACFXEK-QWHCGFSZSA-N 1 0 382.295 2.983 20 0 GFADRO COc1cncc(C[NH2+]C[C@@H](CO)Cc2cc(Br)ccc2OC)c1 ZINC000850317594 661770053 /nfs/dbraw/zinc/77/00/53/661770053.db2.gz SYDLGBZKMHGEAL-AWEZNQCLSA-N 1 0 395.297 2.802 20 0 GFADRO CC(C)[C@H](Cc1ccc(Br)cc1)[NH2+]CCOCCS(C)(=O)=O ZINC000850445761 661776537 /nfs/dbraw/zinc/77/65/37/661776537.db2.gz WBMXIXUHGSSZKO-INIZCTEOSA-N 1 0 392.359 2.667 20 0 GFADRO C[C@@H]([NH2+]CC[S@](=O)CC(F)(F)F)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000850490733 661778330 /nfs/dbraw/zinc/77/83/30/661778330.db2.gz FZYNFSVHLWWKJF-WBNWAKSLSA-N 1 0 393.399 2.645 20 0 GFADRO C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]CC[S@](=O)CC(F)(F)F ZINC000850490690 661778416 /nfs/dbraw/zinc/77/84/16/661778416.db2.gz FIPAAVPDOGCGTE-YDBLSZJJSA-N 1 0 398.878 2.978 20 0 GFADRO CCc1ccccc1NC(=O)C[C@@H](C)[NH2+]CCS(=O)(=O)CC(F)(F)F ZINC000850519330 661780945 /nfs/dbraw/zinc/78/09/45/661780945.db2.gz KJZPYHUUNDRRMI-GFCCVEGCSA-N 1 0 380.432 2.533 20 0 GFADRO [NH3+]C1(CNC(=O)Nc2cnc(Br)c(Br)c2)CCCC1 ZINC000850729860 661788879 /nfs/dbraw/zinc/78/88/79/661788879.db2.gz MUKFZPGYRWLCSN-UHFFFAOYSA-N 1 0 392.095 3.000 20 0 GFADRO COc1ccc(CCC(=O)N2CC[C@]3(C2)CCC[NH2+]C3)c(Br)c1 ZINC000851634164 661827024 /nfs/dbraw/zinc/82/70/24/661827024.db2.gz ARRIWWHMJJBKGY-GOSISDBHSA-N 1 0 381.314 2.992 20 0 GFADRO O=C(N[C@H]1C[NH2+]CC[C@H]1c1cccc(F)c1)N1CCC=C(Br)C1 ZINC000851673189 661827992 /nfs/dbraw/zinc/82/79/92/661827992.db2.gz ROERGHXBPKABGE-HOTGVXAUSA-N 1 0 382.277 2.965 20 0 GFADRO Brc1ncn(CC[NH+]2CCC(c3c[nH]c4ncccc34)CC2)n1 ZINC000851844208 661838212 /nfs/dbraw/zinc/83/82/12/661838212.db2.gz SMOBKTCIZLGLHK-UHFFFAOYSA-N 1 0 375.274 2.797 20 0 GFADRO CCOP(=O)(OCC)[C@H](O)C[N@@H+]1CCN(C(=O)C(C)(C)C)CC1(C)C ZINC000851908887 661845774 /nfs/dbraw/zinc/84/57/74/661845774.db2.gz WFHXJZKPDLJPEQ-AWEZNQCLSA-N 1 0 378.450 2.540 20 0 GFADRO Brc1ncn(CC[NH2+][C@H]2c3ccccc3CC23CCOCC3)n1 ZINC000852063322 661851309 /nfs/dbraw/zinc/85/13/09/661851309.db2.gz QGAMNMGTUBQWSS-HNNXBMFYSA-N 1 0 377.286 2.724 20 0 GFADRO Cn1nccc1CC[N@@H+]1CC[C@@]2(C)[C@@H](C1)C2(Br)Br ZINC000852337391 661861418 /nfs/dbraw/zinc/86/14/18/661861418.db2.gz QUAIIAWJUPJARQ-NEPJUHHUSA-N 1 0 377.124 2.791 20 0 GFADRO C[C@]12CC[N@H+](C[C@H]3CCNC(=O)CC3)C[C@H]1C2(Br)Br ZINC000852337170 661861520 /nfs/dbraw/zinc/86/15/20/661861520.db2.gz KIJUPZHPEOWSIY-WZRBSPASSA-N 1 0 394.151 2.731 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)NC[C@@H](O)c2ccccc2Br)C1 ZINC000852468821 661865423 /nfs/dbraw/zinc/86/54/23/661865423.db2.gz QWLAOHLUXCMHGQ-IUODEOHRSA-N 1 0 384.318 2.655 20 0 GFADRO FC1(F)CC[C@@H](C[NH+]2CCC(n3nncc3I)CC2)C1 ZINC000852533265 661866541 /nfs/dbraw/zinc/86/65/41/661866541.db2.gz WLYZBNXETHJKHJ-SNVBAGLBSA-N 1 0 396.223 2.955 20 0 GFADRO Cn1cc(C[C@H]2CCC[C@H]2[NH2+]CCS(=O)(=O)c2ccc(Cl)cc2)cn1 ZINC000852562883 661867096 /nfs/dbraw/zinc/86/70/96/661867096.db2.gz LOZVVLQGKYNMPA-CRAIPNDOSA-N 1 0 381.929 2.848 20 0 GFADRO CC(C)(C)OC(=O)NC[C@@](C)(O)C[NH2+][C@H](CO)c1cccc(Cl)c1Cl ZINC000852678383 661870928 /nfs/dbraw/zinc/87/09/28/661870928.db2.gz CQVZHEJMELVGRH-DYVFJYSZSA-N 1 0 393.311 2.892 20 0 GFADRO O=C(NC[C@@H](O)c1ccc(Cl)cc1Cl)c1cc(C2CC[NH2+]CC2)no1 ZINC000852807645 661874845 /nfs/dbraw/zinc/87/48/45/661874845.db2.gz WZKDBMWQXBRDCH-OAHLLOKOSA-N 1 0 384.263 2.912 20 0 GFADRO O=C(C=C1CC[NH2+]CC1)N1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000852808642 661874919 /nfs/dbraw/zinc/87/49/19/661874919.db2.gz FOFYPTLIBZWTFS-UHFFFAOYSA-N 1 0 382.291 2.588 20 0 GFADRO O=C(c1cccnc1I)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000852838964 661875536 /nfs/dbraw/zinc/87/55/36/661875536.db2.gz SXGQXFFDORFISN-ZDUSSCGKSA-N 1 0 399.276 2.538 20 0 GFADRO CCCCOCCN(C(=O)C1=NO[C@H](C[NH3+])C1)c1cccc(Br)c1 ZINC000852842638 661875731 /nfs/dbraw/zinc/87/57/31/661875731.db2.gz DJNLPRMBCWIWEU-HNNXBMFYSA-N 1 0 398.301 2.702 20 0 GFADRO C[C@@]1(C(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)CC1(Br)Br ZINC000852874880 661876027 /nfs/dbraw/zinc/87/60/27/661876027.db2.gz VLALHPKGNPYLAX-YPMHNXCESA-N 1 0 394.151 2.873 20 0 GFADRO O=C(N[C@H]1CC12CC[NH2+]CC2)c1cnn(-c2ccccc2)c1Br ZINC000852880691 661876359 /nfs/dbraw/zinc/87/63/59/661876359.db2.gz DFUIHYPQFDDNHK-AWEZNQCLSA-N 1 0 375.270 2.507 20 0 GFADRO O=C(N[C@@H]1CC12CC[NH2+]CC2)c1cnn(-c2ccccc2)c1Br ZINC000852880694 661876394 /nfs/dbraw/zinc/87/63/94/661876394.db2.gz DFUIHYPQFDDNHK-CQSZACIVSA-N 1 0 375.270 2.507 20 0 GFADRO O=C(c1cnn(-c2ccccc2)c1Br)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000852881673 661876514 /nfs/dbraw/zinc/87/65/14/661876514.db2.gz ZJMBTJGKVYNMMV-GOSISDBHSA-N 1 0 389.297 2.851 20 0 GFADRO COc1cc(NC(=O)CO[C@H]2CCC[NH2+]C2)c(Cl)cc1Br ZINC000852915230 661877190 /nfs/dbraw/zinc/87/71/90/661877190.db2.gz BQMYJTVZHXTQKP-VIFPVBQESA-N 1 0 377.666 2.818 20 0 GFADRO COCCC[N@H+](C)CCN1C(=O)[C@H](c2cccc(Cl)c2Cl)N(C)C1=O ZINC000853086333 661881942 /nfs/dbraw/zinc/88/19/42/661881942.db2.gz HYNVWLYWPZZNFQ-HNNXBMFYSA-N 1 0 388.295 2.897 20 0 GFADRO O[C@H](C[NH2+]C[C@H](O)c1cc(F)c(F)c(F)c1)COc1ccc(Cl)cc1 ZINC000853132216 661883146 /nfs/dbraw/zinc/88/31/46/661883146.db2.gz PNOSKRQFCNIAQF-WBMJQRKESA-N 1 0 375.774 2.820 20 0 GFADRO OC1CC[NH+](CCCNc2nc(Cl)nc3c(Br)c[nH]c32)CC1 ZINC000853204620 661885165 /nfs/dbraw/zinc/88/51/65/661885165.db2.gz QYJRHGUYRNNUJB-UHFFFAOYSA-N 1 0 388.697 2.633 20 0 GFADRO COc1cccc([C@H](CNC(=O)NCC2SCCS2)[NH+]2CCCC2)c1 ZINC000853237716 661885828 /nfs/dbraw/zinc/88/58/28/661885828.db2.gz VCIBYXFOLQHKDU-INIZCTEOSA-N 1 0 381.567 2.937 20 0 GFADRO Fc1ncnc(Sc2nnc([C@@H]3CCC[NH2+]C3)n2C2CC2)c1Br ZINC000853350880 661887765 /nfs/dbraw/zinc/88/77/65/661887765.db2.gz XYEWWJDTLUAOFX-MRVPVSSYSA-N 1 0 399.293 2.923 20 0 GFADRO CCOCCC[N@@H+]1CC[C@@H](Nc2ncnc(F)c2Br)[C@H](C)C1 ZINC000853342272 661887825 /nfs/dbraw/zinc/88/78/25/661887825.db2.gz BQBDDXIGBLRNDF-VXGBXAGGSA-N 1 0 375.286 2.927 20 0 GFADRO O=c1c(Br)nn(C[NH+]2CCC(c3ccon3)CC2)c2ccccc12 ZINC000853592526 661893939 /nfs/dbraw/zinc/89/39/39/661893939.db2.gz VJTUVEFIEIUJSZ-UHFFFAOYSA-N 1 0 389.253 2.984 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000854216143 661919343 /nfs/dbraw/zinc/91/93/43/661919343.db2.gz SSSQPARPJPQEKT-LBPRGKRZSA-N 1 0 375.441 2.677 20 0 GFADRO CCOC(=O)[C@@H]1NCC[C@H]1[NH2+]CC1(Cc2ccc(Br)cc2)CC1 ZINC000854229285 661919697 /nfs/dbraw/zinc/91/96/97/661919697.db2.gz JXTMPYTWYPXDDX-HZPDHXFCSA-N 1 0 381.314 2.655 20 0 GFADRO O=C(CC[C@H]1CC1(Cl)Cl)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000854309195 661923602 /nfs/dbraw/zinc/92/36/02/661923602.db2.gz KXNMTWSXDSUKPL-KRWDZBQOSA-N 1 0 384.351 2.894 20 0 GFADRO C[N@H+](CCCCNC(=O)[C@@]1(C)CC1(Br)Br)C1CC1 ZINC000854899125 661960378 /nfs/dbraw/zinc/96/03/78/661960378.db2.gz CYZRWSYWBZGBJD-GFCCVEGCSA-N 1 0 382.140 2.873 20 0 GFADRO Cc1cc(NC(=O)c2cc(S(C)(=O)=O)ncc2Cl)ccc1C[NH+](C)C ZINC000854916971 661961022 /nfs/dbraw/zinc/96/10/22/661961022.db2.gz JRRCGFATNLZXFK-UHFFFAOYSA-N 1 0 381.885 2.761 20 0 GFADRO C[NH+](C)Cc1ccc(NC(=O)c2cc(S(C)(=O)=O)ncc2Cl)c(F)c1 ZINC000854934040 661961681 /nfs/dbraw/zinc/96/16/81/661961681.db2.gz JUPGOKDPDHVCIT-UHFFFAOYSA-N 1 0 385.848 2.592 20 0 GFADRO Cc1csc([C@](O)(CC(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)C(F)(F)F)n1 ZINC000855290048 661983362 /nfs/dbraw/zinc/98/33/62/661983362.db2.gz XWAZKXCDVLOHFZ-IAQYHMDHSA-N 1 0 379.448 2.581 20 0 GFADRO O=C(NCC1CC[NH+](Cc2ccncc2)CC1)c1scnc1Br ZINC000855527531 661996673 /nfs/dbraw/zinc/99/66/73/661996673.db2.gz LABXTTFHBNZRRT-UHFFFAOYSA-N 1 0 395.326 2.943 20 0 GFADRO C[C@@H]([NH2+]CCS(=O)(=O)C1CCCCC1)C1CCN(CC(F)(F)F)CC1 ZINC000856741271 662040339 /nfs/dbraw/zinc/04/03/39/662040339.db2.gz IHDQNUMIKHTSFV-CQSZACIVSA-N 1 0 384.508 2.986 20 0 GFADRO O=C(NCC[C@@H]1CC1(Cl)Cl)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000856947743 662053559 /nfs/dbraw/zinc/05/35/59/662053559.db2.gz DASOUJFHGXIAQZ-WBVHZDCISA-N 1 0 386.323 2.507 20 0 GFADRO CC[N@@H+]1C[C@H](C)N(C(=O)[C@@]2(C)CC2(Br)Br)C[C@@H]1C ZINC000857601410 662082829 /nfs/dbraw/zinc/08/28/29/662082829.db2.gz KZNSEFZHMPKYMZ-JBLDHEPKSA-N 1 0 382.140 2.824 20 0 GFADRO O=C(N[C@H]1C[NH2+]CC[C@H]1c1cccc(F)c1)c1nc(Br)cs1 ZINC000857769133 662090168 /nfs/dbraw/zinc/09/01/68/662090168.db2.gz BQKZNGIVZXOWAP-RYUDHWBXSA-N 1 0 384.274 2.920 20 0 GFADRO COc1ccc(C[C@@H](CO)C[NH2+][C@@H]2CCCc3cn[nH]c32)cc1Br ZINC000857868769 662092706 /nfs/dbraw/zinc/09/27/06/662092706.db2.gz BUEMOARUMXNYJU-CZUORRHYSA-N 1 0 394.313 2.999 20 0 GFADRO C[NH+](C)[C@@H]1CCc2cc(Br)ccc2N(C(=O)CC2OCCCO2)C1 ZINC000857880475 662093143 /nfs/dbraw/zinc/09/31/43/662093143.db2.gz HZEKDRRQTQFYNY-OAHLLOKOSA-N 1 0 397.313 2.812 20 0 GFADRO C[C@@H](C(=O)N1C[C@H]([NH+](C)C)CCc2cc(Br)ccc21)n1cncn1 ZINC000857880931 662093380 /nfs/dbraw/zinc/09/33/80/662093380.db2.gz PNJWGPVURGOMNK-SWLSCSKDSA-N 1 0 392.301 2.511 20 0 GFADRO O=S(=O)(c1ccccc1)N1CC[C@H]([NH2+][C@H]2CCc3ccc(Cl)nc32)C1 ZINC000857912178 662094482 /nfs/dbraw/zinc/09/44/82/662094482.db2.gz DHQXVVQFCKEOQX-HOCLYGCPSA-N 1 0 377.897 2.775 20 0 GFADRO Cn1cc(CNCc2ccc(OCCC[NH+](C)C)cc2)c(Br)n1 ZINC000858124322 662100078 /nfs/dbraw/zinc/10/00/78/662100078.db2.gz RTZVJJVZODIJRW-UHFFFAOYSA-N 1 0 381.318 2.803 20 0 GFADRO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NCc1cn(C)nc1Br ZINC000858139287 662100642 /nfs/dbraw/zinc/10/06/42/662100642.db2.gz IMFOVPNIBYSEQP-CZUORRHYSA-N 1 0 378.318 2.578 20 0 GFADRO CON(C)C(=O)[C@@H](C)[NH2+]Cc1ccc(OC(F)(F)F)c(Br)c1 ZINC000858322764 662108505 /nfs/dbraw/zinc/10/85/05/662108505.db2.gz IPRDFMSAFIICBO-MRVPVSSYSA-N 1 0 385.180 2.846 20 0 GFADRO C[C@@H]([NH2+]C[C@]1(CO)COCC2(CCC2)N1C)c1cc(Cl)c(N)c(Cl)c1 ZINC000858465425 662112604 /nfs/dbraw/zinc/11/26/04/662112604.db2.gz FYCDGZSXGPHDCA-XIKOKIGWSA-N 1 0 388.339 2.842 20 0 GFADRO COc1ccc2c(c1)OC[C@@H]([NH2+]Cc1cc(Br)cnc1OC)C2 ZINC000858494393 662113381 /nfs/dbraw/zinc/11/33/81/662113381.db2.gz ILJQLJOVEXKKLS-AWEZNQCLSA-N 1 0 379.254 2.955 20 0 GFADRO CON(C)C(=O)[C@H](C)[NH2+][C@H](C)CCc1ccc(I)cc1 ZINC000858580565 662115472 /nfs/dbraw/zinc/11/54/72/662115472.db2.gz RIRFQJWXLIOMNE-NEPJUHHUSA-N 1 0 390.265 2.610 20 0 GFADRO COC(=O)Nc1ccc(S(=O)(=O)N[C@](C)(C[NH3+])CC(C)C)cc1Cl ZINC000858608895 662116143 /nfs/dbraw/zinc/11/61/43/662116143.db2.gz MQWGXECSZWBERG-HNNXBMFYSA-N 1 0 377.894 2.560 20 0 GFADRO [NH3+]C[C@H]1CN(S(=O)(=O)c2c(Cl)ccnc2Cl)CC[C@@H]1C(F)(F)F ZINC000858622823 662116735 /nfs/dbraw/zinc/11/67/35/662116735.db2.gz AHHOUPAFZYYYFY-YUMQZZPRSA-N 1 0 392.230 2.536 20 0 GFADRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2cnc(Cl)c(Cl)c2)CC[C@H]1C(F)(F)F ZINC000858623947 662117113 /nfs/dbraw/zinc/11/71/13/662117113.db2.gz QFNZNQVFKLSSBI-VXNVDRBHSA-N 1 0 392.230 2.536 20 0 GFADRO O=S(=O)(/C=C/c1ccc(Cl)cc1)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000858644338 662117895 /nfs/dbraw/zinc/11/78/95/662117895.db2.gz ZQFLORADZXTXGL-RXNMKEHESA-N 1 0 384.929 2.731 20 0 GFADRO C[C@H]1CCCC[N@@H+]1CCCNS(=O)(=O)c1ccc(Br)nc1F ZINC000858882481 662125940 /nfs/dbraw/zinc/12/59/40/662125940.db2.gz DNNRNXVPJOZBBG-NSHDSACASA-N 1 0 394.310 2.526 20 0 GFADRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)c1ccc(SC(F)(F)F)nc1 ZINC000859223267 662146073 /nfs/dbraw/zinc/14/60/73/662146073.db2.gz UAAOPZNCXWDTSH-ZDUSSCGKSA-N 1 0 377.432 2.876 20 0 GFADRO COC(=O)[C@@H]1CC[N@@H+]([C@@H]2CCc3cc(Br)ccc3NC2=O)[C@@H]1C ZINC000859272888 662149231 /nfs/dbraw/zinc/14/92/31/662149231.db2.gz XPXSVAOCBKUZFW-WDBKCZKBSA-N 1 0 381.270 2.586 20 0 GFADRO CC[C@@H](C(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1)c1ccc(Br)cc1 ZINC000859360222 662156562 /nfs/dbraw/zinc/15/65/62/662156562.db2.gz BAKODUCVHUNEFH-CRAIPNDOSA-N 1 0 396.373 2.942 20 0 GFADRO CC(C)[C@@H]1CN(CCn2cnc(Br)n2)CC[N@@H+]1Cc1ccccc1 ZINC000859526925 662166300 /nfs/dbraw/zinc/16/63/00/662166300.db2.gz LHAPYRVXNYVBDV-KRWDZBQOSA-N 1 0 392.345 2.883 20 0 GFADRO C[C@@H](NC(=O)c1cc(Br)c2ncc(C=O)n2c1)C(C)(C)C[NH+](C)C ZINC000859573369 662168258 /nfs/dbraw/zinc/16/82/58/662168258.db2.gz XGAQCVCJALQQLO-LLVKDONJSA-N 1 0 395.301 2.615 20 0 GFADRO CSC[C@H](O)C[N@@H+]1CC[C@H](C(F)(F)F)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000859606455 662169453 /nfs/dbraw/zinc/16/94/53/662169453.db2.gz NPTOOJSIICZFQA-UPJWGTAASA-N 1 0 386.480 2.735 20 0 GFADRO CO[C@@H]1C[N@H+](C)[C@@](C)(COC(=O)[C@@H]2CCOc3ccc(Br)cc32)C1 ZINC000861356699 662242433 /nfs/dbraw/zinc/24/24/33/662242433.db2.gz NWZYZZDUHBCKCH-PMUMKWKESA-N 1 0 398.297 2.968 20 0 GFADRO O=C(NCCC[C@@H]1CC1(Cl)Cl)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000861648545 662253062 /nfs/dbraw/zinc/25/30/62/662253062.db2.gz SXLLMVSQAHIVJA-CABCVRRESA-N 1 0 378.344 2.761 20 0 GFADRO O=C(/C=C/c1ccc(Br)o1)N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000861986467 662265732 /nfs/dbraw/zinc/26/57/32/662265732.db2.gz PBHOKUXFVWWEHM-HWKANZROSA-N 1 0 383.286 2.769 20 0 GFADRO Cn1nc(Cl)c(C(=O)NCC2CC[NH+](Cc3ccncc3)CC2)c1Cl ZINC000862176736 662271850 /nfs/dbraw/zinc/27/18/50/662271850.db2.gz HMHPMEJOWJYPTJ-UHFFFAOYSA-N 1 0 382.295 2.764 20 0 GFADRO Cc1cc(C[N@@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)c(Br)cc1F ZINC000862215445 662273853 /nfs/dbraw/zinc/27/38/53/662273853.db2.gz JLBNBNBZKXPHIP-AWEZNQCLSA-N 1 0 399.304 2.967 20 0 GFADRO C[NH+](C)CCC[C@H]1CN(C(=O)c2ccc(SC(F)(F)F)nc2)CCO1 ZINC000862236976 662275659 /nfs/dbraw/zinc/27/56/59/662275659.db2.gz TZZOQPSENLQPOF-ZDUSSCGKSA-N 1 0 377.432 2.876 20 0 GFADRO CC(C)(C)OC(=O)N1CC(F)(F)C[C@@H]1C[N@@H+]1CCS[C@@H]2COCC[C@@H]21 ZINC000862251661 662277583 /nfs/dbraw/zinc/27/75/83/662277583.db2.gz KPFUUBBLFHKCST-HZSPNIEDSA-N 1 0 378.485 2.837 20 0 GFADRO CCOC(=O)c1cccc(C[NH2+]C[C@H](O)c2ccccc2Br)n1 ZINC000862391914 662284857 /nfs/dbraw/zinc/28/48/57/662284857.db2.gz WTRJWZOSRUWEEH-INIZCTEOSA-N 1 0 379.254 2.844 20 0 GFADRO C[S@](=O)[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CC(F)(F)CN2C(=O)OC(C)(C)C)C1 ZINC000862410797 662286095 /nfs/dbraw/zinc/28/60/95/662286095.db2.gz ITLOUZQNNYXUJW-NDNZESCASA-N 1 0 380.501 2.910 20 0 GFADRO CC1CC[NH+](CC(=O)N2CC[C@@H](O)[C@H]2c2ccc(Br)cc2)CC1 ZINC000863581194 662338946 /nfs/dbraw/zinc/33/89/46/662338946.db2.gz UXMLHEBBWRPRRE-SJLPKXTDSA-N 1 0 381.314 2.815 20 0 GFADRO O=C1O[C@H]2C[NH2+]C[C@H]2N1C1CCN(Cc2csc(Cl)c2Cl)CC1 ZINC000863643776 662342516 /nfs/dbraw/zinc/34/25/16/662342516.db2.gz WDKVVQQYQYZRIN-NEPJUHHUSA-N 1 0 376.309 2.812 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(Br)ncc1Br ZINC000864609665 662381321 /nfs/dbraw/zinc/38/13/21/662381321.db2.gz BOAKLEWPCMUJLP-VIFPVBQESA-N 1 0 391.107 2.821 20 0 GFADRO Cc1cc2c(CC(=O)NCCC[N@@H+]3CCC[C@@H](C(N)=O)C3)csc2s1 ZINC000865117600 662399728 /nfs/dbraw/zinc/39/97/28/662399728.db2.gz PJLYFWXKXPRIAD-CYBMUJFWSA-N 1 0 379.551 2.517 20 0 GFADRO CSCC[C@@H]1NC(=S)N(C[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)C1=O ZINC000865212029 662404409 /nfs/dbraw/zinc/40/44/09/662404409.db2.gz FJAJCZZEWJBNRI-PVAVHDDUSA-N 1 0 377.579 2.593 20 0 GFADRO COc1ncc(Br)cc1C[NH2+]CCOc1cccc(NC(C)=O)c1 ZINC000865448391 662421997 /nfs/dbraw/zinc/42/19/97/662421997.db2.gz FKTWDMKGAKJTKL-UHFFFAOYSA-N 1 0 394.269 2.980 20 0 GFADRO C[C@@H](Cc1ccccc1Br)[NH2+]Cc1cn(C[C@@H]2CCCO2)nn1 ZINC000865492216 662424936 /nfs/dbraw/zinc/42/49/36/662424936.db2.gz PYGMLYKQAJWKQE-BBRMVZONSA-N 1 0 379.302 2.940 20 0 GFADRO Cc1cc(N2CCC([NH3+])(CO)CC2)nc(-c2ccc(Br)cc2)n1 ZINC000865537539 662427867 /nfs/dbraw/zinc/42/78/67/662427867.db2.gz DJSWIIDHHPWIPA-UHFFFAOYSA-N 1 0 377.286 2.505 20 0 GFADRO CN(CCCN1CC[NH+](C)CC1)C(=O)/C=C/c1ccsc1C(F)(F)F ZINC000865675506 662435584 /nfs/dbraw/zinc/43/55/84/662435584.db2.gz RYFVXJYRXZGEKY-SNAWJCMRSA-N 1 0 375.460 2.876 20 0 GFADRO C[C@@](CO)(Cc1ccc(Br)cc1)[NH2+]Cc1cn(C2CCC2)nn1 ZINC000865715427 662438652 /nfs/dbraw/zinc/43/86/52/662438652.db2.gz RUUYCXVNEWCUIH-KRWDZBQOSA-N 1 0 379.302 2.849 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+]CCSCCC(F)(F)F)cc1Cl ZINC000865788388 662443723 /nfs/dbraw/zinc/44/37/23/662443723.db2.gz PFHFUMDRZNODOI-UHFFFAOYSA-N 1 0 376.853 2.763 20 0 GFADRO CN(C)C(=O)N1CCC([NH2+][C@@H]2[C@H]3Cc4ccc(Br)cc4[C@@H]23)CC1 ZINC000865835246 662446555 /nfs/dbraw/zinc/44/65/55/662446555.db2.gz XGHLROORIQVMGA-GVDBMIGSSA-N 1 0 378.314 2.823 20 0 GFADRO O=c1[nH]c(C[NH2+][C@H]2CCc3cccc(Br)c3C2)nc2c1COCC2 ZINC000865866504 662448018 /nfs/dbraw/zinc/44/80/18/662448018.db2.gz NDEMLLOHOORBFO-LBPRGKRZSA-N 1 0 390.281 2.665 20 0 GFADRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)c3cc4ccnc(Cl)c4s3)CC2)C1 ZINC000865896762 662449772 /nfs/dbraw/zinc/44/97/72/662449772.db2.gz RAZKVJYKUMWAMI-CQSZACIVSA-N 1 0 378.929 2.802 20 0 GFADRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)c3ccc(SC(F)(F)F)o3)CC2)C1 ZINC000865897301 662449888 /nfs/dbraw/zinc/44/98/88/662449888.db2.gz YYBNDXBNYHMFPJ-GFCCVEGCSA-N 1 0 377.432 2.744 20 0 GFADRO O=C(NC[C@H]1CC[N@H+](CCc2ccccc2)C1)c1cc(Br)no1 ZINC000865925979 662451841 /nfs/dbraw/zinc/45/18/41/662451841.db2.gz PJUGUILAYZWJNA-CQSZACIVSA-N 1 0 378.270 2.732 20 0 GFADRO O=C(c1cc(Br)no1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000865986505 662455196 /nfs/dbraw/zinc/45/51/96/662455196.db2.gz CVGCNFYSMVBUEF-OKILXGFUSA-N 1 0 376.254 2.641 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc(Br)cn3ccnc23)[C@@H](C)C1 ZINC000866048515 662458200 /nfs/dbraw/zinc/45/82/00/662458200.db2.gz CETBIWWARWKNBJ-WFASDCNBSA-N 1 0 379.302 2.899 20 0 GFADRO CC[NH+](CC)C[C@@H]1CCN(C(=O)c2cc(Br)cn3ccnc23)C1 ZINC000866181439 662463475 /nfs/dbraw/zinc/46/34/75/662463475.db2.gz GJPAUWDSNDYIIQ-ZDUSSCGKSA-N 1 0 379.302 2.901 20 0 GFADRO CC(C)[C@H]([NH2+]CC1CCN(S(=O)(=O)C(F)(F)F)CC1)c1ccccn1 ZINC000866264644 662466161 /nfs/dbraw/zinc/46/61/61/662466161.db2.gz CDAAIDCNCLVBLN-HNNXBMFYSA-N 1 0 379.448 2.930 20 0 GFADRO COc1ccc2c(c1)CC[C@H]2[NH2+]C1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000866281232 662466650 /nfs/dbraw/zinc/46/66/50/662466650.db2.gz LDEXCUUHCLENII-OAHLLOKOSA-N 1 0 378.416 2.586 20 0 GFADRO C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+]Cc1c(Br)cnn1C ZINC000866431076 662472546 /nfs/dbraw/zinc/47/25/46/662472546.db2.gz GZTFHQSBHAKVGL-SECBINFHSA-N 1 0 386.681 2.738 20 0 GFADRO CCO[C@H](CC[NH+](C)C)CNC(=O)c1nc(Br)sc1Cl ZINC000866455333 662474253 /nfs/dbraw/zinc/47/42/53/662474253.db2.gz XUCATUJNTAZXNA-MRVPVSSYSA-N 1 0 384.727 2.646 20 0 GFADRO CCc1nc2c(s1)[C@@H]([NH2+]CCc1ccc(S(=O)(=O)NC)cc1)CCC2 ZINC000866579662 662481583 /nfs/dbraw/zinc/48/15/83/662481583.db2.gz SMZONLKZJWZCJL-HNNXBMFYSA-N 1 0 379.551 2.823 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCCN(S(=O)(=O)c2oc3ccccc3c2Br)C1 ZINC000866740368 662493415 /nfs/dbraw/zinc/49/34/15/662493415.db2.gz ROEWUORYWBOWQQ-QWRGUYRKSA-N 1 0 387.299 2.943 20 0 GFADRO [NH3+]C1CC2(C1)CC(NS(=O)(=O)c1ccc(C(F)(F)C(F)(F)F)cc1)C2 ZINC000866757709 662495095 /nfs/dbraw/zinc/49/50/95/662495095.db2.gz DJVNYOYAYQJKCI-UHFFFAOYSA-N 1 0 384.370 2.889 20 0 GFADRO CN(c1ccc(OCC[NH+](C)C)cc1)S(=O)(=O)C[C@]1(C)CC1(Cl)Cl ZINC000866767294 662496029 /nfs/dbraw/zinc/49/60/29/662496029.db2.gz OYKYYHQZZMSFIL-HNNXBMFYSA-N 1 0 395.352 2.977 20 0 GFADRO O=S(=O)(c1cc(Cl)cnc1Cl)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000866766349 662496109 /nfs/dbraw/zinc/49/61/09/662496109.db2.gz OZYSHXZGCWIWOO-RYUDHWBXSA-N 1 0 378.325 2.789 20 0 GFADRO O=S(=O)(c1cc(Br)sc1Cl)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000866829100 662502607 /nfs/dbraw/zinc/50/26/07/662502607.db2.gz YXALQZNUJKVZFG-JGVFFNPUSA-N 1 0 385.736 2.679 20 0 GFADRO Cc1ccc(Br)c(CS(=O)(=O)N(C)[C@H]2CC[N@@H+](C)C[C@H]2C)c1 ZINC000866866731 662504858 /nfs/dbraw/zinc/50/48/58/662504858.db2.gz VJJIDLNHPRJDCA-CJNGLKHVSA-N 1 0 389.359 2.859 20 0 GFADRO CCC1([NH+](C)C)CCN(S(=O)(=O)c2cc3nc(Cl)ncc3s2)CC1 ZINC000867631612 662564438 /nfs/dbraw/zinc/56/44/38/662564438.db2.gz OLDGKKIWIPTAIH-UHFFFAOYSA-N 1 0 388.946 2.840 20 0 GFADRO C[C@]1([NH3+])CCN(C(=O)c2cc(I)cc(C(F)(F)F)c2)C1 ZINC000868076295 662593669 /nfs/dbraw/zinc/59/36/69/662593669.db2.gz VOCYOQIPSOFPOL-LBPRGKRZSA-N 1 0 398.166 2.873 20 0 GFADRO O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)Nc1ccccc1I ZINC000868089230 662594170 /nfs/dbraw/zinc/59/41/70/662594170.db2.gz NMAFLFIUZNXSGT-ZSBIGDGJSA-N 1 0 385.249 2.943 20 0 GFADRO C[N@H+](CCNC(=O)NCc1ccc(Br)cn1)Cc1ccccc1 ZINC000868130697 662595461 /nfs/dbraw/zinc/59/54/61/662595461.db2.gz RDBMZFYGGIJLFA-UHFFFAOYSA-N 1 0 377.286 2.775 20 0 GFADRO COC(=O)c1cc(NC(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)ccc1Br ZINC000868142034 662596036 /nfs/dbraw/zinc/59/60/36/662596036.db2.gz CVGOOTHMHAMXGX-ZSBIGDGJSA-N 1 0 396.285 2.888 20 0 GFADRO COC(=O)c1c(Br)ccc(NC(=O)N2CCC[C@H]3[NH2+]CC[C@H]32)c1C ZINC000868153277 662596599 /nfs/dbraw/zinc/59/65/99/662596599.db2.gz ZCMPPDJFEVZXTB-ZIAGYGMSSA-N 1 0 396.285 2.902 20 0 GFADRO COC(=O)c1cc(NC(=O)N2CCC[C@H]3[NH2+]CC[C@H]32)c(C)cc1Br ZINC000868158162 662596978 /nfs/dbraw/zinc/59/69/78/662596978.db2.gz JCLCGVUFQXRLEF-UKRRQHHQSA-N 1 0 396.285 2.902 20 0 GFADRO COC[C@H](NC(=O)N[C@H]1CC[N@@H+](C2CC2)C1)c1cccc(Br)c1 ZINC000868364662 662603156 /nfs/dbraw/zinc/60/31/56/662603156.db2.gz ATFGGNDGYSQANZ-HOCLYGCPSA-N 1 0 382.302 2.673 20 0 GFADRO COC[C@@H](NC(=O)N[C@@H]1CC[N@@H+](C2CC2)C1)c1cccc(Br)c1 ZINC000868364660 662603241 /nfs/dbraw/zinc/60/32/41/662603241.db2.gz ATFGGNDGYSQANZ-GDBMZVCRSA-N 1 0 382.302 2.673 20 0 GFADRO COc1cc(Br)ccc1CNC(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000868518644 662607938 /nfs/dbraw/zinc/60/79/38/662607938.db2.gz RPVSLMOQJDAOEC-DZGCQCFKSA-N 1 0 382.302 2.693 20 0 GFADRO O=C([C@@H](O)c1cnc[nH]1)N1CCCC[C@H]1Cc1ccccc1Br ZINC000868593829 662611161 /nfs/dbraw/zinc/61/11/61/662611161.db2.gz AIDGTQNEYWHEAO-BBRMVZONSA-N 1 0 378.270 2.829 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(C(=O)NCc3cc(F)c(F)cc3Br)CC[C@H]21 ZINC000868601268 662611508 /nfs/dbraw/zinc/61/15/08/662611508.db2.gz BUICBLVTKCUKKV-MEBBXXQBSA-N 1 0 388.256 2.963 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(C(=O)NCc3cc(F)c(Br)cc3F)CC[C@@H]21 ZINC000868809727 662620487 /nfs/dbraw/zinc/62/04/87/662620487.db2.gz MAAKYFZRYRBCFB-BMIGLBTASA-N 1 0 388.256 2.963 20 0 GFADRO COCCN(CC1CC[NH+](C)CC1)C(=O)Cc1cccc(Br)c1 ZINC000869766245 662660598 /nfs/dbraw/zinc/66/05/98/662660598.db2.gz YQVJQJSEDKSNDI-UHFFFAOYSA-N 1 0 383.330 2.808 20 0 GFADRO CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)C(C)(C)c2ccc(Br)cc2)C1 ZINC000869783991 662662205 /nfs/dbraw/zinc/66/22/05/662662205.db2.gz OJZXXYIEMWCSKC-HNNXBMFYSA-N 1 0 383.330 2.688 20 0 GFADRO Cn1nc(C(=O)NCC2(c3ccccc3)CC[NH+](C)CC2)cc1Br ZINC000870187546 662677812 /nfs/dbraw/zinc/67/78/12/662677812.db2.gz UDSOYYUIRVGWCI-UHFFFAOYSA-N 1 0 391.313 2.576 20 0 GFADRO COCC[NH+]1CCC(OC(=O)Cc2csc(CCC(F)(F)F)n2)CC1 ZINC000870462895 662691354 /nfs/dbraw/zinc/69/13/54/662691354.db2.gz ZHNFPKRXLWRUNT-UHFFFAOYSA-N 1 0 380.432 2.835 20 0 GFADRO CC[C@H](C[NH+](C)C)OC(=O)Cc1csc(NC(=O)Cc2cccs2)n1 ZINC000870554297 662694565 /nfs/dbraw/zinc/69/45/65/662694565.db2.gz DNZSHIQWZBUGPL-CYBMUJFWSA-N 1 0 381.523 2.812 20 0 GFADRO CC[C@@H](C[NH+](C)C)OC(=O)Cc1csc(NC(=O)Cc2cccs2)n1 ZINC000870554298 662694607 /nfs/dbraw/zinc/69/46/07/662694607.db2.gz DNZSHIQWZBUGPL-ZDUSSCGKSA-N 1 0 381.523 2.812 20 0 GFADRO CC(C)[C@H]([NH3+])CNC(=O)c1c(F)ccc(I)c1Cl ZINC000870936783 662709114 /nfs/dbraw/zinc/70/91/14/662709114.db2.gz PBTQEZNSWGOKNH-SECBINFHSA-N 1 0 384.620 2.797 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)[C@H]1CC[C@@H]([NH3+])CC1 ZINC000870853402 662703582 /nfs/dbraw/zinc/70/35/82/662703582.db2.gz BDVHFKJGINUSEM-XBXGTLAGSA-N 1 0 382.302 2.672 20 0 GFADRO CC(C)(C)CC(=O)N1CCN(C(=O)[C@@H]([NH3+])c2cccc(Br)c2)CC1 ZINC000870863712 662703940 /nfs/dbraw/zinc/70/39/40/662703940.db2.gz WRWZQWBNUNSKEU-INIZCTEOSA-N 1 0 396.329 2.556 20 0 GFADRO CCOC(=O)C1CCC(NC(=O)[C@H]([NH3+])c2cccc(Br)c2)CC1 ZINC000870871407 662704180 /nfs/dbraw/zinc/70/41/80/662704180.db2.gz WLMZJGIEDYONPC-WDIPEOLASA-N 1 0 383.286 2.687 20 0 GFADRO C[NH+](C)CCCCC(=O)Nc1ccc(N2CC[C@H](CO)C2)c(Br)c1 ZINC000870890479 662706569 /nfs/dbraw/zinc/70/65/69/662706569.db2.gz TWRBMAIAHPQRTK-AWEZNQCLSA-N 1 0 398.345 2.938 20 0 GFADRO [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)Nc2nccn2Cc2ccc(Br)cc2)C1 ZINC000870904534 662707714 /nfs/dbraw/zinc/70/77/14/662707714.db2.gz SZUKHCCIHOHVKL-DXCKQFNASA-N 1 0 375.270 2.760 20 0 GFADRO O=C(c1cc(Br)cn2ccnc12)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000870914701 662708079 /nfs/dbraw/zinc/70/80/79/662708079.db2.gz RCAQDZDUJHBVRO-CHWSQXEVSA-N 1 0 377.286 2.559 20 0 GFADRO [NH3+][C@@H](C(=O)NC[C@H](CCO)c1ccccc1)c1cccc(Br)c1 ZINC000870926140 662708501 /nfs/dbraw/zinc/70/85/01/662708501.db2.gz YPZKTFUCNIFBRW-DOTOQJQBSA-N 1 0 377.282 2.731 20 0 GFADRO Cc1c(I)cccc1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000870974859 662711900 /nfs/dbraw/zinc/71/19/00/662711900.db2.gz RPDPXEIALYZGRW-CLLJXQQHSA-N 1 0 384.261 2.860 20 0 GFADRO Cn1cc(C(F)F)c(CNC(=O)[C@@](C)([NH3+])c2ccc(Br)cc2)n1 ZINC000870978777 662712172 /nfs/dbraw/zinc/71/21/72/662712172.db2.gz BRKBPBXVOZCJTC-HNNXBMFYSA-N 1 0 387.228 2.611 20 0 GFADRO Cn1c(-c2cc(F)ccc2Br)nnc1N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000871043044 662714012 /nfs/dbraw/zinc/71/40/12/662714012.db2.gz OMUSZPNTXOOHNH-ABAIWWIYSA-N 1 0 394.292 2.914 20 0 GFADRO O=S(=O)(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)c1c(Cl)cc(F)cc1Cl ZINC000871811861 662734944 /nfs/dbraw/zinc/73/49/44/662734944.db2.gz WELJSKTXJMZPIR-NSHDSACASA-N 1 0 397.299 2.570 20 0 GFADRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2ccc(F)c(C(F)F)c2)C[C@H]1C(F)(F)F ZINC000871813017 662735123 /nfs/dbraw/zinc/73/51/23/662735123.db2.gz NLXSGGAJMKQSGJ-GMSGAONNSA-N 1 0 376.322 2.521 20 0 GFADRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2ccc(CC(F)(F)F)cc2)C[C@H]1C(F)(F)F ZINC000871814005 662735465 /nfs/dbraw/zinc/73/54/65/662735465.db2.gz NJPRZXIJAMATDB-ZYHUDNBSSA-N 1 0 390.349 2.549 20 0 GFADRO Cc1ccc(S(=O)(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)cc1C(F)(F)F ZINC000871814036 662735529 /nfs/dbraw/zinc/73/55/29/662735529.db2.gz OGLOKWWZKSWMQA-SKDRFNHKSA-N 1 0 390.349 2.772 20 0 GFADRO C[C@H](Nc1cc2n(n1)CC[N@H+](C)C2)C(=O)Nc1cccc(Br)c1 ZINC000871929180 662743215 /nfs/dbraw/zinc/74/32/15/662743215.db2.gz UKCDNKLXEHLPEX-NSHDSACASA-N 1 0 378.274 2.530 20 0 GFADRO CC(C)(O)C[C@@H](O)C[NH+]1CCC(C(=O)Nc2ccccc2Br)CC1 ZINC000871976434 662748429 /nfs/dbraw/zinc/74/84/29/662748429.db2.gz RTDBXFCHFMNMMR-CQSZACIVSA-N 1 0 399.329 2.622 20 0 GFADRO CCOC(=O)[C@H](C)C1C[NH+](CCC(=O)Nc2ccc(Br)cc2)C1 ZINC000871992106 662749853 /nfs/dbraw/zinc/74/98/53/662749853.db2.gz BUQRTHYYCDDZQD-GFCCVEGCSA-N 1 0 383.286 2.909 20 0 GFADRO Brc1cccc([C@H]([NH2+]CCCN2CCOCC2)[C@H]2CCOC2)c1 ZINC000872017297 662753891 /nfs/dbraw/zinc/75/38/91/662753891.db2.gz YXYVIMRUMJRDMK-WMZOPIPTSA-N 1 0 383.330 2.839 20 0 GFADRO OCCN1CCCC[C@@H]1C[NH2+][C@@H](c1cccc(Br)c1)[C@H]1CCOC1 ZINC000872075488 662755276 /nfs/dbraw/zinc/75/52/76/662755276.db2.gz RMYNJIMWGJBWJH-UHOSZYNNSA-N 1 0 397.357 2.963 20 0 GFADRO CCS(=O)(=O)CCC[NH2+][C@@H](c1cccc(Br)c1)[C@@H]1CCOC1 ZINC000872080848 662755388 /nfs/dbraw/zinc/75/53/88/662755388.db2.gz SWFARQKJQZWJRO-ZBFHGGJFSA-N 1 0 390.343 2.941 20 0 GFADRO O=S(=O)(CC[NH2+][C@H](c1cccc(Br)c1)[C@H]1CCOC1)C1CC1 ZINC000872081566 662755638 /nfs/dbraw/zinc/75/56/38/662755638.db2.gz ZPWQRYSUHADHBI-XJKSGUPXSA-N 1 0 388.327 2.694 20 0 GFADRO O=C(NCC[NH2+][C@@H]1CCOC2(CCCC2)C1)c1ccc(Br)cn1 ZINC000872085042 662755649 /nfs/dbraw/zinc/75/56/49/662755649.db2.gz MRFASLQNXOSDNM-CQSZACIVSA-N 1 0 382.302 2.655 20 0 GFADRO Cn1ncc(I)c1C[NH2+][C@H]1CCO[C@H](C(C)(C)C)C1 ZINC000872092484 662755880 /nfs/dbraw/zinc/75/58/80/662755880.db2.gz CGXFBYPYNXYDKX-GWCFXTLKSA-N 1 0 377.270 2.708 20 0 GFADRO [NH3+]C[C@H]1CN(CC(=O)NCCc2cccc(Cl)c2Cl)C[C@@H]1C(F)(F)F ZINC000872151011 662756826 /nfs/dbraw/zinc/75/68/26/662756826.db2.gz SUVGWDYUIFJTFU-RYUDHWBXSA-N 1 0 398.256 2.721 20 0 GFADRO [NH3+]C[C@@H]1CN(CC(=O)NCCc2cccc(Cl)c2Cl)C[C@@H]1C(F)(F)F ZINC000872151009 662756862 /nfs/dbraw/zinc/75/68/62/662756862.db2.gz SUVGWDYUIFJTFU-NEPJUHHUSA-N 1 0 398.256 2.721 20 0 GFADRO C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000872150761 662756873 /nfs/dbraw/zinc/75/68/73/662756873.db2.gz RPRFHXSBRGEWBR-ZOBORPQBSA-N 1 0 375.460 2.869 20 0 GFADRO C[C@H](C(=O)Nc1ccccc1Br)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000872152146 662757064 /nfs/dbraw/zinc/75/70/64/662757064.db2.gz ZOZHRXFIPNPUNQ-MXWKQRLJSA-N 1 0 394.235 2.845 20 0 GFADRO COC(=O)[C@]12C[C@H]1C[C@H]([NH2+]C[C@](C)(O)c1ccc(Br)cc1F)C2 ZINC000872227545 662758191 /nfs/dbraw/zinc/75/81/91/662758191.db2.gz LWGDSZPUDOORSJ-YGRNIMFPSA-N 1 0 386.261 2.727 20 0 GFADRO [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)NC2(c3cccc(Br)c3)CCOCC2)C1 ZINC000872266820 662759571 /nfs/dbraw/zinc/75/95/71/662759571.db2.gz MMLGHBSWICSVAM-YSVLISHTSA-N 1 0 379.298 2.698 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(S(=O)(=O)N=[S@](C)(=O)C(C)(C)C)C1 ZINC000872449873 662768025 /nfs/dbraw/zinc/76/80/25/662768025.db2.gz UDIDTBYXRUPDPF-JRLRZGBRSA-N 1 0 393.619 2.714 20 0 GFADRO C[NH+](C)C1CCC2(CC1)CCN(S(=O)(=O)N=[S@](C)(=O)C(C)(C)C)CC2 ZINC000872506075 662773866 /nfs/dbraw/zinc/77/38/66/662773866.db2.gz LXGYLWLKVSNFOH-XMMPIXPASA-N 1 0 393.619 2.714 20 0 GFADRO C[N@@H+]1CC[C@H]2CN(Cn3nc4ccc(Br)cn4c3=S)CC[C@@H]21 ZINC000872724629 662786654 /nfs/dbraw/zinc/78/66/54/662786654.db2.gz VVYKJWMPHXKXRV-AAEUAGOBSA-N 1 0 382.331 2.611 20 0 GFADRO C[NH+](C)[C@]1(CNC(=O)NCc2cc(C(F)(F)F)cc(Cl)n2)CCSC1 ZINC000872924108 662793826 /nfs/dbraw/zinc/79/38/26/662793826.db2.gz IJKGCYMDIRUGQM-AWEZNQCLSA-N 1 0 396.866 2.990 20 0 GFADRO C[C@H](CO[C@H]1CCOC1)[NH2+]Cc1cccc(F)c1I ZINC000873074651 662798936 /nfs/dbraw/zinc/79/89/36/662798936.db2.gz OAFVXTLAILVJOY-PWSUYJOCSA-N 1 0 379.213 2.714 20 0 GFADRO Cn1c2ccccc2c(Br)c1C[NH2+]C[C@@H]1COC2(CCOCC2)O1 ZINC000873102150 662799799 /nfs/dbraw/zinc/79/97/99/662799799.db2.gz ICHUHDZKGDXGIR-CYBMUJFWSA-N 1 0 395.297 2.953 20 0 GFADRO Cc1sc(C[NH2+][C@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)cc1Br ZINC000873101251 662799840 /nfs/dbraw/zinc/79/98/40/662799840.db2.gz QBZSFDXECYRJJV-FZMZJTMJSA-N 1 0 394.356 2.645 20 0 GFADRO Cc1cc(NC(=O)C(=O)N(C)CCCCCC[NH3+])cc(C)c1Br ZINC000873111221 662800163 /nfs/dbraw/zinc/80/01/63/662800163.db2.gz IHNCCEIPNPOEOL-UHFFFAOYSA-N 1 0 384.318 2.982 20 0 GFADRO CN(CCCCCC[NH3+])C(=O)C(=O)Nc1cc(F)cc(F)c1Br ZINC000873112007 662800366 /nfs/dbraw/zinc/80/03/66/662800366.db2.gz UUYXWVDBYWDNBS-UHFFFAOYSA-N 1 0 392.244 2.643 20 0 GFADRO COc1ccc(CN2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)c(Br)c1O ZINC000873227807 662804246 /nfs/dbraw/zinc/80/42/46/662804246.db2.gz MDEMHFLCNIQNEC-ZJUUUORDSA-N 1 0 383.208 2.732 20 0 GFADRO O=C(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)Nc1nnc(-c2ccsc2)s1 ZINC000873305758 662805069 /nfs/dbraw/zinc/80/50/69/662805069.db2.gz YECXTIIQFKIJKB-LBPRGKRZSA-N 1 0 379.511 2.547 20 0 GFADRO COc1ccc(NC(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)cc1Br ZINC000873308580 662805087 /nfs/dbraw/zinc/80/50/87/662805087.db2.gz FAXWZHNJDBRYEL-ZDUSSCGKSA-N 1 0 398.301 2.738 20 0 GFADRO COC(=O)c1c(C)c(C)sc1NC(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000873308446 662805099 /nfs/dbraw/zinc/80/50/99/662805099.db2.gz WFAAXMUZEIYCSL-NXEZZACHSA-N 1 0 379.404 2.752 20 0 GFADRO Cc1nc(NC(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)ccc1Br ZINC000873318578 662805306 /nfs/dbraw/zinc/80/53/06/662805306.db2.gz CZLBQZDRDVRWDK-BDAKNGLRSA-N 1 0 381.196 2.753 20 0 GFADRO CCc1ccc(Br)c(NC(=O)C(=O)NCC2CC[NH+](CC)CC2)c1 ZINC000873721055 662812571 /nfs/dbraw/zinc/81/25/71/662812571.db2.gz CSTUCUDNMNEFTA-UHFFFAOYSA-N 1 0 396.329 2.798 20 0 GFADRO C[N@@H+]1CCC[C@H](CCNC(=O)C(=O)Nc2cc(Cl)cc(Cl)c2F)C1 ZINC000873915790 662818407 /nfs/dbraw/zinc/81/84/07/662818407.db2.gz MUTXYMBVORYMCB-SNVBAGLBSA-N 1 0 376.259 2.919 20 0 GFADRO CCn1ncc(C(=O)NC[C@H](C)[N@@H+]2CCc3ccccc3C2)c1Br ZINC000873976807 662820476 /nfs/dbraw/zinc/82/04/76/662820476.db2.gz SFVXNPCAHCDUNI-ZDUSSCGKSA-N 1 0 391.313 2.842 20 0 GFADRO C[NH+](C)C1(C)CCC(NC(=O)C(=O)Nc2ccc(Br)cc2)CC1 ZINC000874120656 662823216 /nfs/dbraw/zinc/82/32/16/662823216.db2.gz PUUKHKDJROALLI-UHFFFAOYSA-N 1 0 382.302 2.767 20 0 GFADRO Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)/C=C1\SCC(=O)N1C ZINC000874252565 662826755 /nfs/dbraw/zinc/82/67/55/662826755.db2.gz OEHMBLAPIQJZMP-ZDLGFXPLSA-N 1 0 377.535 2.529 20 0 GFADRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)c2cc(N)nc(Br)c2)C1 ZINC000874249827 662826768 /nfs/dbraw/zinc/82/67/68/662826768.db2.gz VDZKTDNCGZHCQJ-SCRDCRAPSA-N 1 0 381.318 2.904 20 0 GFADRO C[NH+](C)C[C@H](NC(=O)NCCc1cnccn1)c1ccc(Cl)c(Cl)c1 ZINC000875458089 662846332 /nfs/dbraw/zinc/84/63/32/662846332.db2.gz RSQBFZGHDRUANR-INIZCTEOSA-N 1 0 382.295 2.928 20 0 GFADRO Cc1cc(Br)cnc1NC(=O)[C@H]1CC[N@@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000875464785 662846434 /nfs/dbraw/zinc/84/64/34/662846434.db2.gz GVAHTHXHZQCGOJ-LSDHHAIUSA-N 1 0 392.301 2.560 20 0 GFADRO COCCN(CC1CC[NH+](C)CC1)C(=O)NCCC[C@@H]1CC1(Cl)Cl ZINC000875701519 662850499 /nfs/dbraw/zinc/85/04/99/662850499.db2.gz IPLWHYQQPVXKCQ-OAHLLOKOSA-N 1 0 380.360 2.960 20 0 GFADRO C[C@@H]1CN(C(=O)NCc2ccc(Br)cn2)CC[N@@H+](C2CCC2)C1 ZINC000876214164 662856723 /nfs/dbraw/zinc/85/67/23/662856723.db2.gz ISLLSMCHYTYTRJ-ZDUSSCGKSA-N 1 0 381.318 2.860 20 0 GFADRO Cc1ccc(C[NH+]2CCC(C(=O)NCCCO)CC2)c(C)c1Br ZINC000876578043 662863063 /nfs/dbraw/zinc/86/30/63/662863063.db2.gz ZEWDZOSYXZZCRK-UHFFFAOYSA-N 1 0 383.330 2.777 20 0 GFADRO C[C@H](NC(=O)[C@]12CCC[C@H]1[NH2+]CC2)c1cc2c(cc1Br)OCCO2 ZINC000876607504 662863361 /nfs/dbraw/zinc/86/33/61/662863361.db2.gz VKZBOSNQVQTPAG-LSKLOWJMSA-N 1 0 395.297 2.930 20 0 GFADRO O=C(/C=C/[C@@H]1CCC[NH2+]C1)N1CCO[C@@H](c2ccccc2Br)C1 ZINC000876628285 662863781 /nfs/dbraw/zinc/86/37/81/662863781.db2.gz OQWBXFCVHLTEHG-WMWLRVSLSA-N 1 0 379.298 2.905 20 0 GFADRO Cn1ncc(C[NH3+])c1C(=O)N1CCO[C@@H](c2cc(F)c(Cl)cc2Cl)C1 ZINC000876649033 662864314 /nfs/dbraw/zinc/86/43/14/662864314.db2.gz KMDIDWWSFVOMHV-CQSZACIVSA-N 1 0 387.242 2.538 20 0 GFADRO COc1cccc(C[C@@H]([NH3+])C(=O)NC[C@H](O)c2ccc(Cl)cc2Cl)c1 ZINC000876657560 662864513 /nfs/dbraw/zinc/86/45/13/662864513.db2.gz HRNMNGPMRBNCHA-SJORKVTESA-N 1 0 383.275 2.722 20 0 GFADRO C[C@@H](CNC(=O)c1c(C[NH3+])cnn1C)Sc1ccc(Br)cc1 ZINC000876658423 662864516 /nfs/dbraw/zinc/86/45/16/662864516.db2.gz VWGNPMMXOHRSJO-JTQLQIEISA-N 1 0 383.315 2.552 20 0 GFADRO Cc1nc(C2CC[NH2+]CC2)sc1C(=O)N1C[C@@H](C)O[C@H](C(F)(F)F)C1 ZINC000876684142 662864625 /nfs/dbraw/zinc/86/46/25/662864625.db2.gz AYYCRCAYMXGOAR-SKDRFNHKSA-N 1 0 377.432 2.710 20 0 GFADRO Cn1ncc(C[NH3+])c1C(=O)NCC1(c2ccc(Br)cc2)CCCC1 ZINC000876674991 662864653 /nfs/dbraw/zinc/86/46/53/662864653.db2.gz ZDXSZPGQQOHPJO-UHFFFAOYSA-N 1 0 391.313 2.883 20 0 GFADRO O=C(/C=C/[C@@H]1CCC[NH2+]C1)Nc1cc(Br)ccc1N1CCOCC1 ZINC000876713159 662865252 /nfs/dbraw/zinc/86/52/52/662865252.db2.gz MKHBZNDCXFMASW-ZRFDWSJLSA-N 1 0 394.313 2.780 20 0 GFADRO COC(=O)c1ccc(CN2CCC([N@H+](C)CCCO)CC2)cc1Br ZINC000876738068 662865781 /nfs/dbraw/zinc/86/57/81/662865781.db2.gz YNKXRUMLBGVWFB-UHFFFAOYSA-N 1 0 399.329 2.514 20 0 GFADRO O=C([C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21)N1CCC2(C1)CC[NH2+]CC2 ZINC000876793127 662866533 /nfs/dbraw/zinc/86/65/33/662866533.db2.gz HYWIGKBSMSXRJW-HYVNUMGLSA-N 1 0 375.310 2.937 20 0 GFADRO [NH3+]C[C@@H]1[C@H](C(=O)NCc2ccc(Br)cc2C(F)(F)F)C1(F)F ZINC000876876067 662867567 /nfs/dbraw/zinc/86/75/67/662867567.db2.gz JMGTVWMAVBONCS-NXEZZACHSA-N 1 0 387.146 2.924 20 0 GFADRO CC(C)n1ncc(C(=O)N2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)c1Br ZINC000876950502 662868660 /nfs/dbraw/zinc/86/86/60/662868660.db2.gz OTTCYMGTZHBEPZ-CFVMTHIKSA-N 1 0 399.333 2.728 20 0 GFADRO COC(=O)c1sc2c(c1Br)CN(C(=O)/C=C\[C@@H]1CCC[NH2+]C1)C2 ZINC000876982082 662869219 /nfs/dbraw/zinc/86/92/19/662869219.db2.gz VDAIGKKKWVSSDA-LWTINBJPSA-N 1 0 399.310 2.695 20 0 GFADRO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000877003383 662869466 /nfs/dbraw/zinc/86/94/66/662869466.db2.gz SQMNVZVTLZXALP-CQSZACIVSA-N 1 0 391.265 2.878 20 0 GFADRO C[C@H](NC(=O)CO[C@@H]1CCC[NH2+]C1)c1cc(F)c(Br)cc1F ZINC000877000030 662869487 /nfs/dbraw/zinc/86/94/87/662869487.db2.gz IPYANWCAHPNOPB-VHSXEESVSA-N 1 0 377.229 2.673 20 0 GFADRO O=S(=O)(Cc1ccccc1)N1CCC([NH2+]C[C@@H]2CC2(Cl)Cl)CC1 ZINC000877051281 662870232 /nfs/dbraw/zinc/87/02/32/662870232.db2.gz LTQLQWRTOTYBCJ-AWEZNQCLSA-N 1 0 377.337 2.764 20 0 GFADRO C[C@H]1CC[C@@H](NC(=O)c2c(F)ccc(I)c2Cl)C[NH2+]1 ZINC000877045944 662870238 /nfs/dbraw/zinc/87/02/38/662870238.db2.gz GZZGNQCDGUAQRQ-JGVFFNPUSA-N 1 0 396.631 2.954 20 0 GFADRO C[N@@H+]1CCC[C@@H](CNCc2cccc(S(N)(=O)=O)c2)[C@H]1c1cccs1 ZINC000877055872 662870289 /nfs/dbraw/zinc/87/02/89/662870289.db2.gz WKXAFTOSDMDOAS-YJBOKZPZSA-N 1 0 379.551 2.568 20 0 GFADRO CC(C)n1ncc(C(=O)Nc2ccc3c(c2)OCC[NH2+]C3)c1Br ZINC000877053986 662870321 /nfs/dbraw/zinc/87/03/21/662870321.db2.gz CXSFWGMQGOYIBT-UHFFFAOYSA-N 1 0 379.258 2.961 20 0 GFADRO CSCC[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)N(C)C[C@H](C)[NH3+] ZINC000877096438 662870996 /nfs/dbraw/zinc/87/09/96/662870996.db2.gz GVXWUOYQSPARNM-HZMBPMFUSA-N 1 0 392.352 2.651 20 0 GFADRO CN(C)c1ncc(Br)cc1C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000877137569 662871509 /nfs/dbraw/zinc/87/15/09/662871509.db2.gz YOCHUKIPVBZFJM-DZGCQCFKSA-N 1 0 375.270 2.977 20 0 GFADRO CC(C)C[C@](C)(CNC(=O)OC(C)(C)C)[NH2+]CC1CCS(=O)(=O)CC1 ZINC000877149544 662871793 /nfs/dbraw/zinc/87/17/93/662871793.db2.gz OYTCNCRRSKZQFW-GOSISDBHSA-N 1 0 376.563 2.730 20 0 GFADRO O=C(NCc1cc(Cl)cc(Cl)c1F)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC000877249475 662872501 /nfs/dbraw/zinc/87/25/01/662872501.db2.gz IALAOLXSALRVBI-LBPRGKRZSA-N 1 0 386.258 2.969 20 0 GFADRO CC(=O)N[C@@H](CC(=O)N[C@@H](C)C1CC[NH2+]CC1)c1ccc(Br)cc1 ZINC000877254708 662872541 /nfs/dbraw/zinc/87/25/41/662872541.db2.gz AJDCCJUZWDFOLF-SJCJKPOMSA-N 1 0 396.329 2.521 20 0 GFADRO COC[C@@H](NC(=O)[C@]1(C(F)(F)F)CC[NH2+]C1)c1cccc(Br)c1 ZINC000877263767 662872654 /nfs/dbraw/zinc/87/26/54/662872654.db2.gz YBBKIHMSDUNSKB-OCCSQVGLSA-N 1 0 395.219 2.795 20 0 GFADRO O=C(CCC[S@](=O)c1ccc(Br)cc1)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000877278248 662872994 /nfs/dbraw/zinc/87/29/94/662872994.db2.gz MBIGKBNROCYPGO-PXAQALGRSA-N 1 0 399.354 2.690 20 0 GFADRO O=C([C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000877280916 662873093 /nfs/dbraw/zinc/87/30/93/662873093.db2.gz JUZVEDLOMCFJFL-KCXAZCMYSA-N 1 0 382.291 2.699 20 0 GFADRO O=C(c1cnn(-c2ccc(Br)cc2)c1)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000877282571 662873165 /nfs/dbraw/zinc/87/31/65/662873165.db2.gz RNSFIXMZADHYID-CVEARBPZSA-N 1 0 375.270 2.601 20 0 GFADRO O=C(c1cc(-c2ccc(Br)cc2)n[nH]1)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000877289602 662873270 /nfs/dbraw/zinc/87/32/70/662873270.db2.gz UBDWGJXGYXDZKH-XJKSGUPXSA-N 1 0 375.270 2.806 20 0 GFADRO O=C(NC[C@H]1CC2(CO1)CC[NH2+]CC2)c1ccc(Cl)cc1Br ZINC000877335213 662873821 /nfs/dbraw/zinc/87/38/21/662873821.db2.gz FTMWSOIKKOVQMX-GFCCVEGCSA-N 1 0 387.705 2.991 20 0 GFADRO O=C(NC[C@@H]1Cc2ccccc2C[NH2+]1)c1sc(N2CCCC2)nc1Cl ZINC000877345037 662874007 /nfs/dbraw/zinc/87/40/07/662874007.db2.gz UMZINYGRSKQNBQ-AWEZNQCLSA-N 1 0 376.913 2.841 20 0 GFADRO C[C@H](Oc1cccc(Br)c1)C(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000877363412 662874618 /nfs/dbraw/zinc/87/46/18/662874618.db2.gz DMDPZGVAIPSPSV-KWBADKCTSA-N 1 0 395.219 2.812 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)CCOc2ccccc2Br)C[C@H]1C(F)(F)F ZINC000877364931 662874727 /nfs/dbraw/zinc/87/47/27/662874727.db2.gz CCAUXJOHGWYPNW-WDEREUQCSA-N 1 0 395.219 2.814 20 0 GFADRO CC(C)c1n[nH]c(C(=O)N2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)c1Br ZINC000877365365 662874734 /nfs/dbraw/zinc/87/47/34/662874734.db2.gz PVEOFYGHTJSTNL-JGVFFNPUSA-N 1 0 383.212 2.505 20 0 GFADRO NS(=O)(=O)c1cccc(C[NH2+]C2(Cc3ccccc3Br)CC2)c1 ZINC000877545521 662878509 /nfs/dbraw/zinc/87/85/09/662878509.db2.gz HRCJMHXNMOOHHL-UHFFFAOYSA-N 1 0 395.322 2.961 20 0 GFADRO Cn1ncc(CCC[NH2+][C@@H]2CCN(C)[C@H](c3ccc(Br)cc3)C2)n1 ZINC000877550573 662878704 /nfs/dbraw/zinc/87/87/04/662878704.db2.gz IXOOPBMPXRZSAV-AEFFLSMTSA-N 1 0 392.345 2.935 20 0 GFADRO O=[S@](CC[NH2+]Cc1c(C(F)(F)F)nc2n1CCCC2)CC(F)(F)F ZINC000877622132 662880222 /nfs/dbraw/zinc/88/02/22/662880222.db2.gz GJJSSEXCCHDAKN-XMMPIXPASA-N 1 0 377.354 2.639 20 0 GFADRO Cn1ncc(Br)c1C[NH2+]CC(C)(C)CNC(=O)OC(C)(C)C ZINC000877675647 662881494 /nfs/dbraw/zinc/88/14/94/662881494.db2.gz UQQVPYRZDZCMFD-UHFFFAOYSA-N 1 0 375.311 2.823 20 0 GFADRO CN1CC[NH+](C2CCN(Cc3c(F)ccc(Br)c3F)CC2)CC1 ZINC000877745834 662882734 /nfs/dbraw/zinc/88/27/34/662882734.db2.gz AKBSYBPOVAHJCI-UHFFFAOYSA-N 1 0 388.300 2.939 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+][C@@H]2[C@H]3Cc4ccc(Br)cc4[C@@H]23)cc1 ZINC000877760961 662883038 /nfs/dbraw/zinc/88/30/38/662883038.db2.gz PGUDSHVHINMGJQ-GVDBMIGSSA-N 1 0 393.306 2.524 20 0 GFADRO CC1CC[NH+](C[C@H]2CCCN(C[C@@H](O)c3cc(Br)no3)C2)CC1 ZINC000878017861 662888377 /nfs/dbraw/zinc/88/83/77/662888377.db2.gz PHMAFARDBSOGSE-HUUCEWRRSA-N 1 0 386.334 2.914 20 0 GFADRO CC(C)[C@@H](O)CC[NH+]1CCC(C(=O)Nc2ccc(Br)cn2)CC1 ZINC000878213410 662891785 /nfs/dbraw/zinc/89/17/85/662891785.db2.gz GCCJFMUCJYSVHO-HNNXBMFYSA-N 1 0 384.318 2.902 20 0 GFADRO COC(=O)[C@H](C)[C@@H]([NH2+]C[C@@H](O)c1cc(Br)no1)c1ccccc1 ZINC000878267426 662892713 /nfs/dbraw/zinc/89/27/13/662892713.db2.gz XIJXEWOXNWATOG-IXPVHAAZSA-N 1 0 383.242 2.611 20 0 GFADRO COC(=O)[C@H](C)[C@H]([NH2+]C[C@@H](O)c1cc(Br)no1)c1ccccc1 ZINC000878267424 662892717 /nfs/dbraw/zinc/89/27/17/662892717.db2.gz XIJXEWOXNWATOG-HCKVZZMMSA-N 1 0 383.242 2.611 20 0 GFADRO CN(C[C@@H](O)c1cc(Br)no1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000878272272 662892908 /nfs/dbraw/zinc/89/29/08/662892908.db2.gz YHDMLVOCEWLOMN-HUUCEWRRSA-N 1 0 380.286 2.677 20 0 GFADRO OCC[C@H]([NH2+]C[C@@H](O)CC1(CO)CCCC1)c1ccccc1Br ZINC000878396945 662895363 /nfs/dbraw/zinc/89/53/63/662895363.db2.gz QBUADVIMHQYSJI-YOEHRIQHSA-N 1 0 386.330 2.766 20 0 GFADRO OCC[C@H]([NH2+]C[C@@H](O)C[C@@H](O)c1ccccc1)c1ccccc1Br ZINC000878395796 662895374 /nfs/dbraw/zinc/89/53/74/662895374.db2.gz GBZCWPAALZCWBQ-ZYSHUDEJSA-N 1 0 394.309 2.947 20 0 GFADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1cc(Br)ccc1C1CC1 ZINC000878544483 662898648 /nfs/dbraw/zinc/89/86/48/662898648.db2.gz JMTHEBMYSXRNNJ-CABCVRRESA-N 1 0 379.298 2.920 20 0 GFADRO O[C@H](C[N@@H+]1CCCN2c3ccccc3C[C@H]2C1)c1cc(Br)no1 ZINC000878627958 662900930 /nfs/dbraw/zinc/90/09/30/662900930.db2.gz CPGOVRGIHMTVBX-DZGCQCFKSA-N 1 0 378.270 2.608 20 0 GFADRO Cn1cc([C@@H]2C[N@H+](Cc3ncccc3Br)CC23CCOCC3)cn1 ZINC000878674274 662902243 /nfs/dbraw/zinc/90/22/43/662902243.db2.gz WBFXMGHMQFWSMR-HNNXBMFYSA-N 1 0 391.313 2.974 20 0 GFADRO C[N@@H+](C[C@H](O)c1cccc(Br)c1)C[C@@H](O)CC1(CO)CCCC1 ZINC000878709726 662903271 /nfs/dbraw/zinc/90/32/71/662903271.db2.gz SIKOIFSPGJOTBD-IRXDYDNUSA-N 1 0 386.330 2.718 20 0 GFADRO C[C@H](CNC(=O)c1ccc(OC(F)F)c(Cl)c1)C[NH+]1CCN(C)CC1 ZINC000879005250 662912871 /nfs/dbraw/zinc/91/28/71/662912871.db2.gz UMPRKZPYQWTSLL-GFCCVEGCSA-N 1 0 375.847 2.555 20 0 GFADRO C[C@@H]1CN(C(=O)Nc2cncc(Br)c2)CCN1c1cc[nH+]cc1 ZINC000879030446 662913796 /nfs/dbraw/zinc/91/37/96/662913796.db2.gz DHQCMXYUDZIUGE-GFCCVEGCSA-N 1 0 376.258 2.982 20 0 GFADRO O=c1cc(C[N@@H+]2CC[C@H]3CSC[C@@H]3C2)nc2ccc(Br)cn12 ZINC000879561831 662929501 /nfs/dbraw/zinc/92/95/01/662929501.db2.gz VOHOHAVOFPOKQP-RYUDHWBXSA-N 1 0 380.311 2.642 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN([C@@H]3CCc4cc(Br)ccc4NC3=O)CC[C@H]21 ZINC000879578671 662929796 /nfs/dbraw/zinc/92/97/96/662929796.db2.gz GKEMBZWBXXTQIK-KBRIMQKVSA-N 1 0 378.314 2.728 20 0 GFADRO CN1CC[NH+](C2CCN(CC(=O)Nc3c(Cl)cccc3Cl)CC2)CC1 ZINC000879592191 662930198 /nfs/dbraw/zinc/93/01/98/662930198.db2.gz HQPBSVAUFICROU-UHFFFAOYSA-N 1 0 385.339 2.644 20 0 GFADRO Cn1nc(Br)cc1NC(=O)NC[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000879637002 662931155 /nfs/dbraw/zinc/93/11/55/662931155.db2.gz KYUSISKOYCALKV-ZDUSSCGKSA-N 1 0 378.274 2.579 20 0 GFADRO C[C@@H](NC(=O)Nc1cc(Br)nn1C)[C@H](c1ccccc1)[NH+](C)C ZINC000879644156 662933063 /nfs/dbraw/zinc/93/30/63/662933063.db2.gz RVRXBSQNJSHYDP-IAQYHMDHSA-N 1 0 380.290 2.996 20 0 GFADRO C[C@H](NC(=O)Nc1cc(Br)nn1C)[C@H](c1ccccc1)[NH+](C)C ZINC000879644158 662933107 /nfs/dbraw/zinc/93/31/07/662933107.db2.gz RVRXBSQNJSHYDP-XHDPSFHLSA-N 1 0 380.290 2.996 20 0 GFADRO COCC[N@H+](CC(=O)Nc1ccc(Br)cc1C)C1CCOCC1 ZINC000879708297 662937559 /nfs/dbraw/zinc/93/75/59/662937559.db2.gz JEMHTFHUTSNVDQ-UHFFFAOYSA-N 1 0 385.302 2.823 20 0 GFADRO C[C@H](CNC(=O)Nc1cn(C)nc1Br)[N@@H+]1CCc2ccccc2C1 ZINC000880040992 662946652 /nfs/dbraw/zinc/94/66/52/662946652.db2.gz MFMRMWOJQWRHGD-GFCCVEGCSA-N 1 0 392.301 2.751 20 0 GFADRO C[C@H](NC(=O)Nc1cn(C)nc1Br)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000880054973 662948217 /nfs/dbraw/zinc/94/82/17/662948217.db2.gz PSINFYUZINYVFZ-RYUDHWBXSA-N 1 0 384.322 2.957 20 0 GFADRO Brc1ccc2nc(CN3CCC[C@H]([NH2+]C4CCOCC4)C3)cn2c1 ZINC000880211016 662954696 /nfs/dbraw/zinc/95/46/96/662954696.db2.gz ZGAHVCIVRHMKML-INIZCTEOSA-N 1 0 393.329 2.830 20 0 GFADRO CC(C)S(=O)(=O)CCC[NH2+][C@@]1(c2ccc(Br)cc2)C[C@@H](O)C1 ZINC000880218345 662955046 /nfs/dbraw/zinc/95/50/46/662955046.db2.gz MICIAKYMUOAYOH-IYBDPMFKSA-N 1 0 390.343 2.602 20 0 GFADRO O[C@H]1C[C@]([NH2+]C[C@@H]2CC3(CO2)CCOCC3)(c2ccc(Br)cc2)C1 ZINC000880222457 662955405 /nfs/dbraw/zinc/95/54/05/662955405.db2.gz SNJHFJGHAGKKHT-JENIJYKNSA-N 1 0 396.325 2.974 20 0 GFADRO CO[C@]1(C(F)(F)F)CCN(CCC[N@@H+]2CC[C@@](OC)(C(F)(F)F)C2)C1 ZINC000880306566 662957534 /nfs/dbraw/zinc/95/75/34/662957534.db2.gz VREMRDIKXILEOT-BETUJISGSA-N 1 0 378.357 2.683 20 0 GFADRO CC1([NH+]2CCC2)CCN(C[C@H](O)COc2ccc(Br)cc2)CC1 ZINC000880468933 662960557 /nfs/dbraw/zinc/96/05/57/662960557.db2.gz DRDGUUVTNJVFLO-INIZCTEOSA-N 1 0 383.330 2.749 20 0 GFADRO CC(C)(C)S(=O)(=O)CCC[NH2+][C@@H](Cc1ccccc1)[C@@H](O)C(F)(F)F ZINC000880599949 662963820 /nfs/dbraw/zinc/96/38/20/662963820.db2.gz DNAAXMILWOXSJS-LSDHHAIUSA-N 1 0 381.460 2.714 20 0 GFADRO CCCCOC(=O)[C@@H](C)n1cc([C@@H]([NH3+])c2ccc(Br)cc2)nn1 ZINC000881292437 662989059 /nfs/dbraw/zinc/98/90/59/662989059.db2.gz FNDRNMXPBLYSOO-ABAIWWIYSA-N 1 0 381.274 2.993 20 0 GFADRO [NH3+][C@@H](c1cn(C[C@H]2CC3(CCC3)C(=O)O2)nn1)c1ccc(Br)cc1 ZINC000881371743 662991871 /nfs/dbraw/zinc/99/18/71/662991871.db2.gz VXRICBQYOKMRRH-UKRRQHHQSA-N 1 0 391.269 2.575 20 0 GFADRO CC1(C)OC[C@@H](CCn2cc([C@H]([NH3+])c3ccc(Br)cc3)nn2)O1 ZINC000881395709 662992544 /nfs/dbraw/zinc/99/25/44/662992544.db2.gz UOFFJHDUHICLTF-UKRRQHHQSA-N 1 0 381.274 2.630 20 0 GFADRO O=C(Cc1cscc1Br)N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000881477352 662995541 /nfs/dbraw/zinc/99/55/41/662995541.db2.gz URFQZMSDIAFUOS-CQSZACIVSA-N 1 0 387.343 2.813 20 0 GFADRO Cc1c(Br)cncc1C(=O)N1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000881631236 662998556 /nfs/dbraw/zinc/99/85/56/662998556.db2.gz RSEYRPZKOLFOMD-GFCCVEGCSA-N 1 0 375.270 2.898 20 0 GFADRO C[C@H]1CCCC[N@@H+]1CCNc1cnn(CC(F)(F)F)c(=O)c1Br ZINC000881809338 663004283 /nfs/dbraw/zinc/00/42/83/663004283.db2.gz WXNBEDGGVVWYEH-JTQLQIEISA-N 1 0 397.239 2.854 20 0 GFADRO O=S(=O)(CC[C@H]1CC1(Cl)Cl)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000882038784 663014530 /nfs/dbraw/zinc/01/45/30/663014530.db2.gz LSMOXFWHWNAIME-AWEZNQCLSA-N 1 0 392.352 2.801 20 0 GFADRO CC(C)[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2cnc(Cl)cc2C(F)(F)F)C1 ZINC000882246539 663022313 /nfs/dbraw/zinc/02/23/13/663022313.db2.gz RNMMUXABFOBXDR-JTQLQIEISA-N 1 0 385.839 2.857 20 0 GFADRO C[C@@]1(C(=O)N2CCC(C)([NH+]3CCC3)CC2)CC1(Br)Br ZINC000882510606 663029518 /nfs/dbraw/zinc/02/95/18/663029518.db2.gz OJBAWPUYBYQKMV-ZDUSSCGKSA-N 1 0 394.151 2.969 20 0 GFADRO C[C@H]1CN(S(=O)(=O)C[C@]2(C)CC2(Cl)Cl)CCN1c1cc[nH+]cc1 ZINC000882619840 663033464 /nfs/dbraw/zinc/03/34/64/663033464.db2.gz WDLQNSLKSKHINN-JSGCOSHPSA-N 1 0 378.325 2.506 20 0 GFADRO O=S1(=O)CCC[C@@H]1CC[NH2+]CC1=Cc2cc(Br)ccc2OC1 ZINC000883299633 663052952 /nfs/dbraw/zinc/05/29/52/663052952.db2.gz APPMTOYUQLLUPM-OAHLLOKOSA-N 1 0 386.311 2.782 20 0 GFADRO O=C1Nc2ccc(Br)cc2CC[C@@H]1N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000883377305 663054253 /nfs/dbraw/zinc/05/42/53/663054253.db2.gz DQCQBMFTMBGSSZ-UXLLHSPISA-N 1 0 378.314 2.919 20 0 GFADRO CS(=O)(=O)c1ccc(-c2nc(CN(CC[NH3+])CC(F)(F)F)cs2)cc1 ZINC000883444904 663055245 /nfs/dbraw/zinc/05/52/45/663055245.db2.gz VZCCYDLMUASBBZ-UHFFFAOYSA-N 1 0 393.456 2.537 20 0 GFADRO CC(C)(C)C(=O)c1ccc(S(=O)(=O)N(CCC[NH3+])CC(F)(F)F)cc1 ZINC000883470027 663055484 /nfs/dbraw/zinc/05/54/84/663055484.db2.gz JKYZXMYFGQBIRR-UHFFFAOYSA-N 1 0 380.432 2.817 20 0 GFADRO CCOC(=O)c1c(C)csc1NC(=O)N1CCc2sc(C[NH3+])nc2C1 ZINC000883547885 663056893 /nfs/dbraw/zinc/05/68/93/663056893.db2.gz AHORTHCYLQGCGO-UHFFFAOYSA-N 1 0 380.495 2.739 20 0 GFADRO Cc1cnc(Br)cc1NC(=O)N1CCc2sc(C[NH3+])nc2C1 ZINC000883557322 663057029 /nfs/dbraw/zinc/05/70/29/663057029.db2.gz YFIKHICRGPALCG-UHFFFAOYSA-N 1 0 382.287 2.658 20 0 GFADRO COC(=O)c1cc(NC(=O)N2CC[NH2+]CCC23CCC3)ccc1Br ZINC000883551827 663057062 /nfs/dbraw/zinc/05/70/62/663057062.db2.gz ZRJMEIYIUQQNRM-UHFFFAOYSA-N 1 0 396.285 2.986 20 0 GFADRO C[C@@H]1CN(C(=O)c2cc(Br)nn2-c2ncccc2Cl)C[C@@H](C)[NH2+]1 ZINC000884030367 663063921 /nfs/dbraw/zinc/06/39/21/663063921.db2.gz MZKQWGZDBPGKJF-NXEZZACHSA-N 1 0 398.692 2.506 20 0 GFADRO CCCS(=O)(=O)Nc1cc(NC(=O)[C@H](CC(C)C)[NH2+]C)c(F)cc1F ZINC000884119724 663065517 /nfs/dbraw/zinc/06/55/17/663065517.db2.gz UPJCIWNIXQSNIU-HNNXBMFYSA-N 1 0 377.457 2.689 20 0 GFADRO CCOC(=O)c1ccc(CNC(=O)[C@@H]([NH3+])c2ccc(Br)cc2)o1 ZINC000884133020 663065640 /nfs/dbraw/zinc/06/56/40/663065640.db2.gz JCUVCPOASPOWSV-AWEZNQCLSA-N 1 0 381.226 2.535 20 0 GFADRO CO[C@H](C)c1nc(CNC(=O)[C@H]([NH3+])c2ccc(Br)cc2)cs1 ZINC000884232506 663067458 /nfs/dbraw/zinc/06/74/58/663067458.db2.gz UDAPAIJACITAMY-NOZJJQNGSA-N 1 0 384.299 2.929 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)c2cc(Br)nn2-c2ncccc2Cl)CC[NH2+]1 ZINC000884273101 663067888 /nfs/dbraw/zinc/06/78/88/663067888.db2.gz JLCZLLCEXOCSMC-ZJUUUORDSA-N 1 0 398.692 2.554 20 0 GFADRO O=C(Cc1csc(-c2sccc2Br)n1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000884304166 663068405 /nfs/dbraw/zinc/06/84/05/663068405.db2.gz IKWKCCJYTVYTPL-SKDRFNHKSA-N 1 0 398.351 2.997 20 0 GFADRO [NH3+]Cc1ccc(CNC(=O)COCCc2ccc(Br)cc2)c(F)c1 ZINC000884385135 663069786 /nfs/dbraw/zinc/06/97/86/663069786.db2.gz FLVSRIMJDXXSPR-UHFFFAOYSA-N 1 0 395.272 2.922 20 0 GFADRO CCC1([NH3+])CCN(C(=O)C(=O)NC[C@H](C)c2c(Cl)cccc2Cl)CC1 ZINC000884602221 663072894 /nfs/dbraw/zinc/07/28/94/663072894.db2.gz GGIREOFROXOTMR-LBPRGKRZSA-N 1 0 386.323 2.943 20 0 GFADRO O=C(NC[C@@H]1CC[N@@H+]1C1CCOCC1)c1cc(F)cc(Br)c1F ZINC000885855584 663099197 /nfs/dbraw/zinc/09/91/97/663099197.db2.gz VLELTQRBAZGBQV-LBPRGKRZSA-N 1 0 389.240 2.710 20 0 GFADRO O=C(NC[C@@H]1CC[N@@H+]1C1CCOCC1)c1c[nH]nc1-c1ccc(Cl)s1 ZINC000885880539 663100137 /nfs/dbraw/zinc/10/01/37/663100137.db2.gz STRWAUZFJGRKFM-LBPRGKRZSA-N 1 0 380.901 2.775 20 0 GFADRO O=C(CCc1cccc(F)c1Br)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000885885221 663100373 /nfs/dbraw/zinc/10/03/73/663100373.db2.gz CNDBRUDWGARDPC-OAHLLOKOSA-N 1 0 399.304 2.890 20 0 GFADRO CCOc1c(Br)cc(C[NH2+][C@H](CO)C[C@H]2CCCO2)cc1OC ZINC000886231558 663105481 /nfs/dbraw/zinc/10/54/81/663105481.db2.gz GQSCTHMBHOSAOQ-UONOGXRCSA-N 1 0 388.302 2.876 20 0 GFADRO O[C@@H]1CC[C@@H]([NH2+]Cc2cc(Br)ccc2OC(F)F)CC[C@@H]1O ZINC000886257894 663106356 /nfs/dbraw/zinc/10/63/56/663106356.db2.gz OLGGBYVCSDDGMB-XYYAHUGASA-N 1 0 380.229 2.805 20 0 GFADRO COc1cc(C[NH2+]C[C@@H]2CC[C@@]3(CO[C@@H](C)C3)O2)cc(Br)c1O ZINC000886336614 663108531 /nfs/dbraw/zinc/10/85/31/663108531.db2.gz UHJSJOWNPBQGBM-PLQHRBFRSA-N 1 0 386.286 2.980 20 0 GFADRO COC[C@H]([NH2+][C@@H](C)c1ccc(S(=O)(=O)C(F)F)cc1)[C@H]1CCCOC1 ZINC000886787575 663118606 /nfs/dbraw/zinc/11/86/06/663118606.db2.gz YGHNMKNWMQFWTJ-NOLJZWGESA-N 1 0 377.453 2.775 20 0 GFADRO OC[C@]1(C(F)(F)F)CC[N@H+](C[C@@H](O)COc2cc(Cl)cc(Cl)c2)C1 ZINC000886813823 663119855 /nfs/dbraw/zinc/11/98/55/663119855.db2.gz VTYDXBWLFDEYHY-OCCSQVGLSA-N 1 0 388.213 2.980 20 0 GFADRO Cc1cc(Br)ccc1CS(=O)(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000886885022 663123459 /nfs/dbraw/zinc/12/34/59/663123459.db2.gz FLFMKXFIHATRIZ-OAHLLOKOSA-N 1 0 375.332 2.567 20 0 GFADRO Cc1cc(Br)ccc1CS(=O)(=O)NCCC1CC[NH2+]CC1 ZINC000886888013 663123468 /nfs/dbraw/zinc/12/34/68/663123468.db2.gz OZDZBYCRYDAWRC-UHFFFAOYSA-N 1 0 375.332 2.567 20 0 GFADRO C[C@@H]1CCCc2nc(S(=O)(=O)N(CC[NH3+])Cc3cccc(Cl)c3)cn21 ZINC000886894454 663123821 /nfs/dbraw/zinc/12/38/21/663123821.db2.gz PEOYHCLXCLFLNI-CYBMUJFWSA-N 1 0 382.917 2.583 20 0 GFADRO Cc1cc(S(=O)(=O)NC[C@@H]2C[NH2+]CCC2(F)F)c(C)cc1Br ZINC000886896382 663123971 /nfs/dbraw/zinc/12/39/71/663123971.db2.gz HUZHFBZECHICFW-NSHDSACASA-N 1 0 397.285 2.589 20 0 GFADRO COc1ccc(S(=O)(=O)NC[C@H]2C[NH2+]CCC2(F)F)c(Cl)c1Cl ZINC000886896514 663123993 /nfs/dbraw/zinc/12/39/93/663123993.db2.gz MDVAWDKCBPLVQK-MRVPVSSYSA-N 1 0 389.251 2.525 20 0 GFADRO COC[C@H]([NH2+]Cc1cc2c(cc1Br)OCCO2)[C@H]1CCCOC1 ZINC000886903683 663124290 /nfs/dbraw/zinc/12/42/90/663124290.db2.gz FFILBIXWQVPQOB-WFASDCNBSA-N 1 0 386.286 2.752 20 0 GFADRO COC[C@@H]([NH2+]CC(=O)Nc1ccc(C)cc1Br)[C@@H]1CCCOC1 ZINC000886909938 663124598 /nfs/dbraw/zinc/12/45/98/663124598.db2.gz INRFILILKMDIQP-CZUORRHYSA-N 1 0 385.302 2.727 20 0 GFADRO COC[C@H]([NH2+]CC(=O)Nc1nc(-c2cccs2)cs1)[C@@H]1CCCOC1 ZINC000886913355 663124758 /nfs/dbraw/zinc/12/47/58/663124758.db2.gz AMXVTBYZQUDXHS-OLZOCXBDSA-N 1 0 381.523 2.841 20 0 GFADRO COC[C@H]([NH2+][C@H]1CCc2cc(Br)ccc2NC1=O)[C@H]1CCCOC1 ZINC000886916706 663124893 /nfs/dbraw/zinc/12/48/93/663124893.db2.gz YUVBTGPFEPBWEO-JQFCIGGWSA-N 1 0 397.313 2.734 20 0 GFADRO COC[C@H]([NH2+][C@H]1CCN(c2cccc(Br)c2)C1=O)[C@H]1CCCOC1 ZINC000886915775 663124904 /nfs/dbraw/zinc/12/49/04/663124904.db2.gz JSOSBKVCUDKGSL-JQFCIGGWSA-N 1 0 397.313 2.586 20 0 GFADRO COC[C@H]([NH2+]C[C@](C)(O)c1ccc(Br)cc1F)[C@@H]1CCCOC1 ZINC000886915629 663124908 /nfs/dbraw/zinc/12/49/08/663124908.db2.gz HGNUPTPKTRNYDS-DQYPLSBCSA-N 1 0 390.293 2.827 20 0 GFADRO CCSc1cccc(Br)c1NC(=O)NCC[N@H+](C)CCO ZINC000888175750 663181863 /nfs/dbraw/zinc/18/18/63/663181863.db2.gz UYSPCBXLXQDTNK-UHFFFAOYSA-N 1 0 376.320 2.607 20 0 GFADRO CSC1(CNC(=O)Nc2ccc(N=S(C)(C)=O)cc2)CC[NH+](C)CC1 ZINC000888243270 663183521 /nfs/dbraw/zinc/18/35/21/663183521.db2.gz MSZASFHYZQWSGC-UHFFFAOYSA-N 1 0 384.571 2.995 20 0 GFADRO C[C@@H]1C[C@H](N(C)C(=O)COCCc2ccc(Br)cc2)CC[N@@H+]1C ZINC000889163525 663233875 /nfs/dbraw/zinc/23/38/75/663233875.db2.gz NCAAYAZKWYINDY-RHSMWYFYSA-N 1 0 383.330 2.949 20 0 GFADRO O=C(NCc1ncc(Br)cn1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000889717337 663259070 /nfs/dbraw/zinc/25/90/70/663259070.db2.gz CFARJDTZGYQPTQ-HNNXBMFYSA-N 1 0 389.297 2.768 20 0 GFADRO C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000889745682 663262597 /nfs/dbraw/zinc/26/25/97/663262597.db2.gz YBNMMDNRBIJXFA-VBNZEHGJSA-N 1 0 387.307 2.818 20 0 GFADRO O=C(c1cc(Cl)cc(Br)c1)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000889762472 663264634 /nfs/dbraw/zinc/26/46/34/663264634.db2.gz JZOWKLQNFHWYFL-HUUCEWRRSA-N 1 0 387.705 2.774 20 0 GFADRO O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)C(=O)Nc1cncc(Cl)c1 ZINC000889765547 663265289 /nfs/dbraw/zinc/26/52/89/663265289.db2.gz ALNWNRYZAGJXJZ-AWEZNQCLSA-N 1 0 378.885 2.688 20 0 GFADRO O=C(c1[nH]c2ccccc2c1Br)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000889773735 663265582 /nfs/dbraw/zinc/26/55/82/663265582.db2.gz CQDBVGYXOZVNSW-HUUCEWRRSA-N 1 0 392.297 2.602 20 0 GFADRO O=C(c1cc2cc(Br)ccc2o1)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000889775110 663265730 /nfs/dbraw/zinc/26/57/30/663265730.db2.gz LDWSHJUIBORAGK-GJZGRUSLSA-N 1 0 393.281 2.867 20 0 GFADRO O=C(c1c[nH]c2ccc(Br)cc12)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000889779002 663266440 /nfs/dbraw/zinc/26/64/40/663266440.db2.gz CBULBBVZYSCWDH-IRXDYDNUSA-N 1 0 392.297 2.602 20 0 GFADRO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)NCC1(c2cccc(Br)c2)CCOCC1 ZINC000891395773 663338287 /nfs/dbraw/zinc/33/82/87/663338287.db2.gz XEIUATBJGZLZQE-CZUORRHYSA-N 1 0 396.329 2.628 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)NCc2ccc(F)cc2Br)C[C@@H]1C(F)(F)F ZINC000891412744 663338883 /nfs/dbraw/zinc/33/88/83/663338883.db2.gz QKTXZJHYDSXAPY-ONGXEEELSA-N 1 0 398.198 2.867 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)NCCc2ccccc2Br)C[C@@H]1C(F)(F)F ZINC000891461360 663340260 /nfs/dbraw/zinc/34/02/60/663340260.db2.gz VTFHKIRGWNDECU-NEPJUHHUSA-N 1 0 394.235 2.770 20 0 GFADRO C[C@@H]1C[C@H]([NH3+])CN1C(=O)NCc1cc(Br)ccc1OC(F)F ZINC000891471588 663340469 /nfs/dbraw/zinc/34/04/69/663340469.db2.gz JICUBBHBPRZFSI-KCJUWKMLSA-N 1 0 378.217 2.682 20 0 GFADRO COc1cc(CNC(=O)N[C@]23CCC[C@H]2[NH2+]CC3)cc(Br)c1OC ZINC000891465649 663340475 /nfs/dbraw/zinc/34/04/75/663340475.db2.gz PKQZMXFLIAVNOA-PBHICJAKSA-N 1 0 398.301 2.550 20 0 GFADRO C[C@H](NC(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO)c1ccc(Br)cc1 ZINC000891528499 663342390 /nfs/dbraw/zinc/34/23/90/663342390.db2.gz MKIBWPBKROPDHD-JQFCIGGWSA-N 1 0 396.329 2.751 20 0 GFADRO O=C(NCCc1ccc(Br)cc1F)NC[C@H]1C[NH2+]CCC1(F)F ZINC000891530712 663342562 /nfs/dbraw/zinc/34/25/62/663342562.db2.gz MIHWHIFXWXVAON-LLVKDONJSA-N 1 0 394.235 2.675 20 0 GFADRO COc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)NCc1cscc1Cl ZINC000891547211 663343490 /nfs/dbraw/zinc/34/34/90/663343490.db2.gz VOJXAGQBIJNTRA-UHFFFAOYSA-N 1 0 381.885 2.727 20 0 GFADRO C[C@@H](CNC(=O)NCc1cc(N)cc[nH+]1)Oc1ccc(Br)cc1 ZINC000891617129 663345566 /nfs/dbraw/zinc/34/55/66/663345566.db2.gz RLODZQVWRHJKJO-NSHDSACASA-N 1 0 379.258 2.693 20 0 GFADRO CCOC(=O)c1ncc(Br)c(N(C)C2CC[NH+](C(C)C)CC2)n1 ZINC000891683057 663347140 /nfs/dbraw/zinc/34/71/40/663347140.db2.gz OVMHKTKESYNLAB-UHFFFAOYSA-N 1 0 385.306 2.725 20 0 GFADRO Cc1ccc(Br)cc1CNC(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000891831596 663352039 /nfs/dbraw/zinc/35/20/39/663352039.db2.gz LWZUQOHVIMCFMC-INIZCTEOSA-N 1 0 396.329 2.715 20 0 GFADRO C[C@@H](NC(=O)NC[C@H]1Cc2ccccc2C[NH2+]1)c1ccc(Br)cn1 ZINC000891867499 663353393 /nfs/dbraw/zinc/35/33/93/663353393.db2.gz PZZWJJMXXNPJNM-MLGOLLRUSA-N 1 0 389.297 2.919 20 0 GFADRO C[C@H](NC(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1)[C@@H]1OCCc2sccc21 ZINC000891914189 663355365 /nfs/dbraw/zinc/35/53/65/663355365.db2.gz FPMQEQYWGUUIIM-XVMOGABASA-N 1 0 377.432 2.529 20 0 GFADRO COc1cc(CCNC(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)ccc1Cl ZINC000891921798 663355520 /nfs/dbraw/zinc/35/55/20/663355520.db2.gz VVTZNCOYBDFZRZ-VXGBXAGGSA-N 1 0 379.810 2.670 20 0 GFADRO C[C@H](NC(=O)N[C@@H]1[C@@H]2Cc3ccc(Br)cc3[C@@H]21)[C@H]1CCC[NH2+]C1 ZINC000891981129 663357416 /nfs/dbraw/zinc/35/74/16/663357416.db2.gz INMKDUPNZLHMKE-IIAXDYGNSA-N 1 0 378.314 2.775 20 0 GFADRO COC[C@@H](NC(=O)NC[C@@]1(C)CCC[NH2+]C1)c1cccc(Br)c1 ZINC000892057204 663360650 /nfs/dbraw/zinc/36/06/50/663360650.db2.gz MBEKBCHWNGMMBV-WBVHZDCISA-N 1 0 384.318 2.826 20 0 GFADRO COC[C@@H](NC(=O)NCC1(C)CC[NH2+]CC1)c1cccc(Br)c1 ZINC000892054420 663360764 /nfs/dbraw/zinc/36/07/64/663360764.db2.gz VEXUTWQGZWANEZ-OAHLLOKOSA-N 1 0 384.318 2.826 20 0 GFADRO COc1cccc(OCCN2CC[NH+](C[C@H]3C[C@@]3(C)Br)CC2)c1 ZINC000892136821 663362847 /nfs/dbraw/zinc/36/28/47/663362847.db2.gz OACVHCYJBBLFBH-CRAIPNDOSA-N 1 0 383.330 2.865 20 0 GFADRO COC[C@H](NC(=O)N[C@H]1CC[NH2+]C12CCC2)c1cccc(Br)c1 ZINC000892275567 663367997 /nfs/dbraw/zinc/36/79/97/663367997.db2.gz XSYQQEAGFMLJHG-GJZGRUSLSA-N 1 0 382.302 2.720 20 0 GFADRO O=C(N[C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000892322526 663369247 /nfs/dbraw/zinc/36/92/47/663369247.db2.gz MRQHAHJXRAOMTG-XZKMEQPCSA-N 1 0 390.325 2.872 20 0 GFADRO CC(=O)Nc1cc(Br)ccc1C[NH2+]C[C@@H]1CN(CC(C)C)CCO1 ZINC000892409244 663372579 /nfs/dbraw/zinc/37/25/79/663372579.db2.gz ZFBDCWJJIPUDLJ-QGZVFWFLSA-N 1 0 398.345 2.854 20 0 GFADRO [NH3+][C@H]1C[C@@H](CNC(=O)N2CCc3[nH]c4ccc(Br)cc4c3C2)C1 ZINC000892549005 663377099 /nfs/dbraw/zinc/37/70/99/663377099.db2.gz VLDFILLNQMLOFU-KLPPZKSPSA-N 1 0 377.286 2.735 20 0 GFADRO C[C@H]1CN([C@@H](C[NH2+]C2CCS(=O)CC2)c2c(F)cccc2Cl)CCO1 ZINC000892584342 663377938 /nfs/dbraw/zinc/37/79/38/663377938.db2.gz JHUUSMYHFKLMAO-NWTYFQRQSA-N 1 0 388.936 2.742 20 0 GFADRO C[C@]1(Br)C[C@H]1C[NH2+]Cc1cccc(C(=O)NC[C@H]2CCCO2)c1 ZINC000892678964 663380823 /nfs/dbraw/zinc/38/08/23/663380823.db2.gz KDEJRZVBDZMRMM-JZXOWHBKSA-N 1 0 381.314 2.859 20 0 GFADRO CC(=O)Nc1cccc(OCC[NH2+]Cc2ncc(Br)cc2O)c1 ZINC000892906980 663389140 /nfs/dbraw/zinc/38/91/40/663389140.db2.gz SEVURVBMENBIRS-UHFFFAOYSA-N 1 0 380.242 2.677 20 0 GFADRO C[C@@H]([NH2+]CC1CCN(Cc2ccccc2Cl)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000892907015 663389233 /nfs/dbraw/zinc/38/92/33/663389233.db2.gz WGDJSBXQMCHQNW-CRAIPNDOSA-N 1 0 384.973 2.965 20 0 GFADRO CCC1([NH3+])CCN(C(=O)N[C@H](CO)c2ccc(Br)c(F)c2)CC1 ZINC000892931868 663390244 /nfs/dbraw/zinc/39/02/44/663390244.db2.gz WZAXNDUDEBHIOP-CQSZACIVSA-N 1 0 388.281 2.535 20 0 GFADRO CCCOc1ccc(C[NH2+][C@@H](C)[C@@H]2CCS(=O)(=O)C2)c(OC(F)F)c1 ZINC000893104401 663396532 /nfs/dbraw/zinc/39/65/32/663396532.db2.gz YAMCGLUGCMRNSB-GXTWGEPZSA-N 1 0 377.453 2.990 20 0 GFADRO O=S1CCC([NH2+]C2CCN(Cc3ccc(Br)cc3)CC2)CC1 ZINC000893113634 663397075 /nfs/dbraw/zinc/39/70/75/663397075.db2.gz KVZTWIMVBJQZKJ-UHFFFAOYSA-N 1 0 385.371 2.914 20 0 GFADRO O=C1[C@@H]([NH2+]Cc2cnc(CC(F)(F)F)s2)CCCN1CC(F)(F)F ZINC000893206799 663401659 /nfs/dbraw/zinc/40/16/59/663401659.db2.gz GSBFBOWYPUEWNN-VIFPVBQESA-N 1 0 375.338 2.891 20 0 GFADRO CC(C)[NH2+][C@@H]1CCCN(C(=O)c2cc(Br)cn(C3CC3)c2=O)C1 ZINC000893796573 663425111 /nfs/dbraw/zinc/42/51/11/663425111.db2.gz AHTWYKNXIZBCIQ-CYBMUJFWSA-N 1 0 382.302 2.548 20 0 GFADRO CC[NH+](CC)CC1CCN(Cc2c(I)cnn2C)CC1 ZINC000893940962 663432544 /nfs/dbraw/zinc/43/25/44/663432544.db2.gz UHYCFWWUOJALMD-UHFFFAOYSA-N 1 0 390.313 2.579 20 0 GFADRO C[C@H]([NH2+][C@H]1CCN(c2ccc(Cl)cc2Cl)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000893963754 663433958 /nfs/dbraw/zinc/43/39/58/663433958.db2.gz GYTNBXPKCKRLFF-SCRDCRAPSA-N 1 0 377.337 2.985 20 0 GFADRO Cn1cc(C[NH2+]CCc2c[nH]c3ccccc23)c(I)n1 ZINC000894145301 663445096 /nfs/dbraw/zinc/44/50/96/663445096.db2.gz KSTGXXHXJIWZKQ-UHFFFAOYSA-N 1 0 380.233 2.838 20 0 GFADRO Cn1nc(Br)nc1CNC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000894159034 663445978 /nfs/dbraw/zinc/44/59/78/663445978.db2.gz XNMDEUAVYFUKTA-UHFFFAOYSA-N 1 0 398.736 2.985 20 0 GFADRO Cc1ccccc1C[NH+]1CCC(NCc2nc(Br)nn2C)CC1 ZINC000894187884 663447202 /nfs/dbraw/zinc/44/72/02/663447202.db2.gz OKBULEXFHNWBHO-UHFFFAOYSA-N 1 0 378.318 2.640 20 0 GFADRO COc1ccc(Br)c(C(=O)NCCC[NH2+][C@@H]2COCC2(C)C)c1 ZINC000894231750 663450090 /nfs/dbraw/zinc/45/00/90/663450090.db2.gz RJUGGFFLOVJOII-OAHLLOKOSA-N 1 0 385.302 2.592 20 0 GFADRO Cn1nc(Br)nc1C[NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000894280822 663452369 /nfs/dbraw/zinc/45/23/69/663452369.db2.gz OZKJAUPHPZTJOZ-UHFFFAOYSA-N 1 0 388.310 2.503 20 0 GFADRO Cn1nc(Br)nc1CNC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000894288824 663452574 /nfs/dbraw/zinc/45/25/74/663452574.db2.gz XRJKCYORHVALGU-RISCZKNCSA-N 1 0 384.347 2.812 20 0 GFADRO Cc1nn(C)c(C)c1C[C@H](C)[NH2+]Cc1sc(N2CCOCC2)nc1Cl ZINC000894309808 663453629 /nfs/dbraw/zinc/45/36/29/663453629.db2.gz OBDFAUCVORYCFE-NSHDSACASA-N 1 0 383.949 2.704 20 0 GFADRO COC1CCC(CC[NH2+]Cc2c(I)cnn2C)CC1 ZINC000894459635 663462956 /nfs/dbraw/zinc/46/29/56/663462956.db2.gz TYNNDIPSMAJFDG-UHFFFAOYSA-N 1 0 377.270 2.710 20 0 GFADRO Cn1nc(Br)nc1CNC[C@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000894491948 663465036 /nfs/dbraw/zinc/46/50/36/663465036.db2.gz WFUZMQWPVINPAG-OAHLLOKOSA-N 1 0 378.318 2.578 20 0 GFADRO COc1ccc(C[C@H](CO)C[NH2+]Cc2nnc(C)s2)cc1Br ZINC000894750012 663479360 /nfs/dbraw/zinc/47/93/60/663479360.db2.gz FRANXHQPLPEFCE-LBPRGKRZSA-N 1 0 386.315 2.558 20 0 GFADRO Cn1nc(Br)nc1CN(CCCc1ccccc1)CC[NH+](C)C ZINC000894766058 663480433 /nfs/dbraw/zinc/48/04/33/663480433.db2.gz OQZNUWRIQYWLCT-UHFFFAOYSA-N 1 0 380.334 2.574 20 0 GFADRO COc1ccc(C[NH2+]C[C@@H](CO)Cc2ccc(F)c(Br)c2)nc1 ZINC000894769925 663480587 /nfs/dbraw/zinc/48/05/87/663480587.db2.gz YOLNEEAYCNGFID-ZDUSSCGKSA-N 1 0 383.261 2.933 20 0 GFADRO CC(C)[C@H]1C[C@@H](C[NH2+]Cc2cn(C)nc2I)CCO1 ZINC000894898740 663487367 /nfs/dbraw/zinc/48/73/67/663487367.db2.gz JSSCIXWBESINDJ-WCQYABFASA-N 1 0 377.270 2.566 20 0 GFADRO Cc1ncc(I)c(N2CCC3(CC2)CC[NH+](C)CC3)n1 ZINC000894926563 663488941 /nfs/dbraw/zinc/48/89/41/663488941.db2.gz SRHNWFPAMMJWOE-UHFFFAOYSA-N 1 0 386.281 2.702 20 0 GFADRO COc1ccc(Br)cc1C[C@@H](CO)C[NH2+]Cc1c(C)ccnc1N ZINC000894927854 663488949 /nfs/dbraw/zinc/48/89/49/663488949.db2.gz KYNVSNBUIRJEMH-CYBMUJFWSA-N 1 0 394.313 2.684 20 0 GFADRO CCOC(=O)c1ncc(Br)c(N2CCC(CC)([NH+](C)C)CC2)n1 ZINC000894930691 663489122 /nfs/dbraw/zinc/48/91/22/663489122.db2.gz WCUJMDFKUKJPRJ-UHFFFAOYSA-N 1 0 385.306 2.726 20 0 GFADRO CCCN1C[C@H](C[NH2+]Cc2ccc(Br)cc2NC(C)=O)CC1=O ZINC000894967105 663492496 /nfs/dbraw/zinc/49/24/96/663492496.db2.gz JPXXNIYNURKGRG-ZDUSSCGKSA-N 1 0 382.302 2.756 20 0 GFADRO Cn1ncc(I)c1CNc1ccc(C[NH+](C)C)cc1F ZINC000894992109 663493947 /nfs/dbraw/zinc/49/39/47/663493947.db2.gz IHLPSEOJSIVCNB-UHFFFAOYSA-N 1 0 388.228 2.838 20 0 GFADRO CC(C)[C@@H](CC[NH2+]Cc1nc(Br)nn1C)NC(=O)OC(C)(C)C ZINC000895333664 663508429 /nfs/dbraw/zinc/50/84/29/663508429.db2.gz CFUNJCMSYNNPDG-LLVKDONJSA-N 1 0 390.326 2.607 20 0 GFADRO Clc1nc(N2CCOCC2)sc1C[NH2+]C[C@@H]1Cc2ccccc2CO1 ZINC000895388730 663511388 /nfs/dbraw/zinc/51/13/88/663511388.db2.gz KMKJFCHWBCSZRO-HNNXBMFYSA-N 1 0 379.913 2.864 20 0 GFADRO C[C@H](CCCOc1ccccc1C(N)=O)[NH2+]Cc1cnc(Br)cn1 ZINC000895408446 663512514 /nfs/dbraw/zinc/51/25/14/663512514.db2.gz VCFZEMIMEZXLPD-GFCCVEGCSA-N 1 0 393.285 2.675 20 0 GFADRO CCc1ccc([C@@H](CNC(=O)c2cn(C)nc2Br)[NH+](C)C)cc1 ZINC000895461506 663515566 /nfs/dbraw/zinc/51/55/66/663515566.db2.gz LRNQORQWOQYLPU-OAHLLOKOSA-N 1 0 379.302 2.778 20 0 GFADRO O=C1NCCCN1c1ccc(C[NH2+]Cc2ncc(Br)cc2O)cc1 ZINC000895468964 663516023 /nfs/dbraw/zinc/51/60/23/663516023.db2.gz WZCROTYCHIDAJW-UHFFFAOYSA-N 1 0 391.269 2.759 20 0 GFADRO O[C@H]1C[N@H+](Cc2ccccc2I)CC2(CCOCC2)C1 ZINC000895721769 663525460 /nfs/dbraw/zinc/52/54/60/663525460.db2.gz IZQCBKJAMIHTRH-CQSZACIVSA-N 1 0 387.261 2.655 20 0 GFADRO CC[C@H](Cc1ccc(Br)cc1)[NH2+][C@H]1C(=O)NCC12CCOCC2 ZINC000895765996 663526794 /nfs/dbraw/zinc/52/67/94/663526794.db2.gz QPGGLQVDRCDXRD-CVEARBPZSA-N 1 0 381.314 2.655 20 0 GFADRO C[NH+](C)CC[C@@H](Nc1ccc2c(c1)S(=O)(=O)N=C2Cl)c1cccnc1 ZINC000895891889 663532333 /nfs/dbraw/zinc/53/23/33/663532333.db2.gz UFVCCGATDIAGOS-OAHLLOKOSA-N 1 0 378.885 2.874 20 0 GFADRO C[C@@H]([NH2+]Cc1ccn(-c2ccc(Br)cc2)n1)[C@@H]1CCS(=O)(=O)C1 ZINC000896052759 663539106 /nfs/dbraw/zinc/53/91/06/663539106.db2.gz HTQHSAAPITUTEU-CHWSQXEVSA-N 1 0 398.326 2.548 20 0 GFADRO O=C(NCc1ccsc1C(F)(F)F)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000896077161 663539826 /nfs/dbraw/zinc/53/98/26/663539826.db2.gz XKGVCNWRIYANNO-OLZOCXBDSA-N 1 0 377.432 2.508 20 0 GFADRO FC(F)(F)[C@@H]1CC[C@@H](C[NH2+]Cc2cnn3cc(Br)cnc23)O1 ZINC000896280778 663548867 /nfs/dbraw/zinc/54/88/67/663548867.db2.gz SDYAMWPUMXQMDV-QWRGUYRKSA-N 1 0 379.180 2.691 20 0 GFADRO COCCc1ccc(OC[C@@H](C)[NH2+]Cc2cn(C)nc2Br)cc1 ZINC000896282026 663548912 /nfs/dbraw/zinc/54/89/12/663548912.db2.gz MYAGBVXXNZTTOJ-CYBMUJFWSA-N 1 0 382.302 2.929 20 0 GFADRO CS(C)(=O)=NS(=O)(=O)CC[NH2+]CCCc1c(Cl)cccc1Cl ZINC000896313720 663550376 /nfs/dbraw/zinc/55/03/76/663550376.db2.gz ZFLVWLCGPSTPEB-UHFFFAOYSA-N 1 0 387.354 2.573 20 0 GFADRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)c3cc4c(cncc4Cl)s3)CC2)C1 ZINC000896390352 663554772 /nfs/dbraw/zinc/55/47/72/663554772.db2.gz QBMFDZICGKPEKO-CYBMUJFWSA-N 1 0 378.929 2.802 20 0 GFADRO C[C@@H](NC(=O)c1oc2ccccc2c1Br)[C@H]1C[N@H+](C)CCN1C ZINC000896528814 663561173 /nfs/dbraw/zinc/56/11/73/663561173.db2.gz VPAYEDWTCDJBLQ-DGCLKSJQSA-N 1 0 380.286 2.559 20 0 GFADRO C[C@H](NC(=O)c1cc(F)c(Br)c(Cl)c1)[C@H]1C[N@H+](C)CCN1C ZINC000896543779 663562472 /nfs/dbraw/zinc/56/24/72/663562472.db2.gz YZTQUKHYSPPWFR-TVQRCGJNSA-N 1 0 392.700 2.606 20 0 GFADRO C[C@H](NC(=O)c1cc(F)c(Br)c(Cl)c1)[C@@H]1C[N@H+](C)CCN1C ZINC000896543780 663562493 /nfs/dbraw/zinc/56/24/93/663562493.db2.gz YZTQUKHYSPPWFR-ZANVPECISA-N 1 0 392.700 2.606 20 0 GFADRO C[C@H](NC(=O)CCCCc1ccc(Br)cc1)[C@@H]1C[N@H+](C)CCN1C ZINC000896573487 663565511 /nfs/dbraw/zinc/56/55/11/663565511.db2.gz XOLPQSUKIOWEGC-YJBOKZPZSA-N 1 0 396.373 2.912 20 0 GFADRO CO[C@@]1(C[NH2+]CC(C)(C)c2ccc(Br)cc2)CCS(=O)(=O)C1 ZINC000896679375 663571513 /nfs/dbraw/zinc/57/15/13/663571513.db2.gz GFBMPVMKEGSVNG-MRXNPFEDSA-N 1 0 390.343 2.520 20 0 GFADRO Cn1cc(C(=O)NC[C@@H](c2ccc(Cl)cc2)[NH+](C)C)c(Br)n1 ZINC000896800833 663577088 /nfs/dbraw/zinc/57/70/88/663577088.db2.gz KVKSXQVFACTXIF-ZDUSSCGKSA-N 1 0 385.693 2.869 20 0 GFADRO Cc1nc(CC(F)(F)F)sc1CC(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000896835970 663578645 /nfs/dbraw/zinc/57/86/45/663578645.db2.gz UQGYVNWIXAGDOP-CQSZACIVSA-N 1 0 381.489 2.652 20 0 GFADRO C[C@H](C[NH2+]C[C@H]1CCCN1CC(F)(F)F)c1ccc(S(C)(=O)=O)cc1 ZINC000896838167 663578855 /nfs/dbraw/zinc/57/88/55/663578855.db2.gz CGIVZRMQPCLSGL-UKRRQHHQSA-N 1 0 378.460 2.810 20 0 GFADRO COC1CC[NH+](CCNC(=O)CCCc2ccc(Br)cc2)CC1 ZINC000896883370 663580737 /nfs/dbraw/zinc/58/07/37/663580737.db2.gz GZPCZWNDTQQUJF-UHFFFAOYSA-N 1 0 383.330 2.999 20 0 GFADRO CCN1CC[NH+](C[C@H](C)CNC(=O)c2cc3c(cncc3Cl)s2)CC1 ZINC000896898451 663581163 /nfs/dbraw/zinc/58/11/63/663581163.db2.gz SZQGUWVRERUYRF-CYBMUJFWSA-N 1 0 380.945 2.953 20 0 GFADRO COc1cc(Br)c(C[NH2+]C[C@H]2CCC3(CCOCC3)O2)cc1O ZINC000896920007 663581826 /nfs/dbraw/zinc/58/18/26/663581826.db2.gz CGTGQPMDJBFQEH-CYBMUJFWSA-N 1 0 386.286 2.981 20 0 GFADRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)c2cn(C)nc2Br)CC1 ZINC000897157789 663593601 /nfs/dbraw/zinc/59/36/01/663593601.db2.gz OGTCVNAOFDSGMY-GFCCVEGCSA-N 1 0 392.301 2.533 20 0 GFADRO CCOc1cc(C[NH2+]C[C@@H]2CCN2C2CCOCC2)cc(Br)c1O ZINC000897229893 663596081 /nfs/dbraw/zinc/59/60/81/663596081.db2.gz YHMKEYPPIONPGH-HNNXBMFYSA-N 1 0 399.329 2.896 20 0 GFADRO CS[C@H]1CN(C(=O)Cc2sc(CC(F)(F)F)nc2C)C[C@@H]1[NH+](C)C ZINC000897238361 663596340 /nfs/dbraw/zinc/59/63/40/663596340.db2.gz XMQFUIOMGSEASG-JQWIXIFHSA-N 1 0 381.489 2.603 20 0 GFADRO Cc1cc(C[NH+](C)C)cc(NC(=O)c2c[nH]nc2I)c1 ZINC000897239232 663596463 /nfs/dbraw/zinc/59/64/63/663596463.db2.gz WGTWQFUNMDNTAU-UHFFFAOYSA-N 1 0 384.221 2.637 20 0 GFADRO COC(=O)c1cc(C[NH2+]CC2(OCCO)CCC(C(F)F)CC2)cs1 ZINC000897542548 663609534 /nfs/dbraw/zinc/60/95/34/663609534.db2.gz XSJJDPRYTGNVAR-UHFFFAOYSA-N 1 0 377.453 2.827 20 0 GFADRO COc1c(Br)cc(C[NH2+][C@@]2(C)CCNC2=O)cc1Br ZINC000897872607 663623182 /nfs/dbraw/zinc/62/31/82/663623182.db2.gz JBCGNKCINYHSSJ-ZDUSSCGKSA-N 1 0 392.091 2.588 20 0 GFADRO O=C1Nc2ncc(Br)cc2C[C@@H]1[NH2+][C@@H]1CC[C@H]2COCC[C@H]2C1 ZINC000897977665 663628054 /nfs/dbraw/zinc/62/80/54/663628054.db2.gz HHESEZINXGGXNC-AZHAFVHUSA-N 1 0 380.286 2.502 20 0 GFADRO COC(=O)CC(C)(C)C[C@@H](C)[NH2+][C@@H]1Cc2cc(Br)cnc2NC1=O ZINC000897977991 663628357 /nfs/dbraw/zinc/62/83/57/663628357.db2.gz JQSVRXBFERDUAQ-ZWNOBZJWSA-N 1 0 398.301 2.665 20 0 GFADRO Cn1cc([C@]2(C[NH2+]Cc3c(Cl)n(C)nc3C(F)(F)F)CCCO2)cn1 ZINC000898056637 663631544 /nfs/dbraw/zinc/63/15/44/663631544.db2.gz KWZWAGHDORBYMV-CQSZACIVSA-N 1 0 377.798 2.621 20 0 GFADRO COc1cc(C[NH2+]C[C@]2(c3cnn(C)c3)CCCO2)cc(Br)c1O ZINC000898060787 663631776 /nfs/dbraw/zinc/63/17/76/663631776.db2.gz IODGJWXVKQIMAM-KRWDZBQOSA-N 1 0 396.285 2.692 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3[C@@H]4c5ccc(Br)cc5C[C@H]34)C[C@@H]2C1 ZINC000898169187 663636987 /nfs/dbraw/zinc/63/69/87/663636987.db2.gz XDHIHULRFKRVPK-MVMUOHDXSA-N 1 0 375.310 2.745 20 0 GFADRO O=c1[nH]ncc(N2CC[C@H]([NH2+]Cc3c[nH]nc3-c3cccs3)C2)c1Cl ZINC000898362473 663644249 /nfs/dbraw/zinc/64/42/49/663644249.db2.gz FXXFWTUULBWTHL-NSHDSACASA-N 1 0 376.873 2.656 20 0 GFADRO CC(C)c1nn(C)c(Cl)c1C[NH2+][C@H]1CCN(c2cn[nH]c(=O)c2Cl)C1 ZINC000898364820 663644552 /nfs/dbraw/zinc/64/45/52/663644552.db2.gz QFEPKSHYGZAWRW-JTQLQIEISA-N 1 0 385.299 2.714 20 0 GFADRO CC(C)(C)CC[NH+]1CCN(C(=O)NCc2ncc(Br)cn2)CC1 ZINC000898398828 663648409 /nfs/dbraw/zinc/64/84/09/663648409.db2.gz NJOOEBMDJGRMAS-UHFFFAOYSA-N 1 0 384.322 2.503 20 0 GFADRO COc1cc(OC)c(C[NH2+][C@H]2CCc3ncc(Br)n3C2)cc1F ZINC000898719276 663660352 /nfs/dbraw/zinc/66/03/52/663660352.db2.gz DFCAKGAJHVKIDJ-NSHDSACASA-N 1 0 384.249 2.907 20 0 GFADRO Cc1ccccc1-n1cc(C[NH2+][C@H]2CCc3ncc(Br)n3C2)nn1 ZINC000898722249 663660815 /nfs/dbraw/zinc/66/08/15/663660815.db2.gz ZCXHALULYJDTIM-ZDUSSCGKSA-N 1 0 387.285 2.639 20 0 GFADRO O=C(N[C@@H]1CSCc2ccc(Br)cc21)C1C[NH+]([C@H]2CCOC2)C1 ZINC000898723987 663661384 /nfs/dbraw/zinc/66/13/84/663661384.db2.gz MADOKVNKJHMOCM-GOEBONIOSA-N 1 0 397.338 2.574 20 0 GFADRO C[NH+]1CCC(O)(CNC(=O)NCc2ccccc2SC(F)(F)F)CC1 ZINC000898975095 663671192 /nfs/dbraw/zinc/67/11/92/663671192.db2.gz JBAUQPWENLZTTA-UHFFFAOYSA-N 1 0 377.432 2.554 20 0 GFADRO Cc1ccc(Br)c(C(=O)N2CCCN(c3cc[nH+]cc3)CC2)n1 ZINC000899175248 663678698 /nfs/dbraw/zinc/67/86/98/663678698.db2.gz UYSUKMTXOREZAS-UHFFFAOYSA-N 1 0 375.270 2.900 20 0 GFADRO C[NH+](C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1cscc1Cl ZINC000899245334 663680751 /nfs/dbraw/zinc/68/07/51/663680751.db2.gz ZOJZTFRFRISUOS-ZDUSSCGKSA-N 1 0 375.922 2.863 20 0 GFADRO [NH3+][C@@H](c1cn([C@H]2CCOc3ccc(Br)cc32)nn1)C1CCOCC1 ZINC000899739122 663699825 /nfs/dbraw/zinc/69/98/25/663699825.db2.gz VZMIITMUVHAMQD-DOTOQJQBSA-N 1 0 393.285 2.839 20 0 GFADRO [NH3+]C1(c2noc(C[C@H]3C(=O)Nc4c3cccc4Br)n2)CCCC1 ZINC000900005315 663706308 /nfs/dbraw/zinc/70/63/08/663706308.db2.gz FOTBVGZLRPCNDL-SNVBAGLBSA-N 1 0 377.242 2.839 20 0 GFADRO CCN(Cc1ccccc1Br)C(=O)c1ccnn1CC[NH+](C)C ZINC000900129792 663708808 /nfs/dbraw/zinc/70/88/08/663708808.db2.gz JOYMAXPFLWYVBG-UHFFFAOYSA-N 1 0 379.302 2.870 20 0 GFADRO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1cc2ncc(Br)cn2n1 ZINC000900305547 663712113 /nfs/dbraw/zinc/71/21/13/663712113.db2.gz PABQJIYNPFWCPK-GFCCVEGCSA-N 1 0 382.306 2.732 20 0 GFADRO CC[NH+](CC)CC1CCN(C(=O)c2cc3ncc(Br)cn3n2)CC1 ZINC000900425053 663714350 /nfs/dbraw/zinc/71/43/50/663714350.db2.gz LFTGWGBWJXMTFJ-UHFFFAOYSA-N 1 0 394.317 2.686 20 0 GFADRO CC(C)(C[NH3+])C1CCN(C(=O)c2nc(C3CC3)ncc2Br)CC1 ZINC000900475111 663715256 /nfs/dbraw/zinc/71/52/56/663715256.db2.gz SHUIIORZPROASA-UHFFFAOYSA-N 1 0 381.318 2.954 20 0 GFADRO C[NH+]1CCC(NCc2cn(CCOc3cc(Cl)ccc3Cl)nn2)CC1 ZINC000900508535 663715908 /nfs/dbraw/zinc/71/59/08/663715908.db2.gz MLAPJNUTDWXEDC-UHFFFAOYSA-N 1 0 384.311 2.848 20 0 GFADRO Cc1cc(Br)ncc1NC(=O)C1CCC([NH+]2CCOCC2)CC1 ZINC000900901127 663723578 /nfs/dbraw/zinc/72/35/78/663723578.db2.gz NYWGUQNRCYGEMG-UHFFFAOYSA-N 1 0 382.302 2.982 20 0 GFADRO CC(C)[NH+]1CCN(CCC(=O)N[C@@H](C)Cc2ccccc2Br)CC1 ZINC000901048940 663729398 /nfs/dbraw/zinc/72/93/98/663729398.db2.gz UEZISANNAOZMIF-INIZCTEOSA-N 1 0 396.373 2.912 20 0 GFADRO Cc1nc(-c2cc3c(s2)CCN(C(=O)[C@]2(C)C[C@@H](O)C[N@H+]2C)C3)cs1 ZINC000901301007 663733924 /nfs/dbraw/zinc/73/39/24/663733924.db2.gz GYCDDNHSSPIAEQ-ACJLOTCBSA-N 1 0 377.535 2.520 20 0 GFADRO COC(=O)[C@H](NC[C@@H]1CC[N@@H+]1C1CCOCC1)c1ccccc1Br ZINC000901623942 663739976 /nfs/dbraw/zinc/73/99/76/663739976.db2.gz LRFQEMSEBIPKJH-WMLDXEAASA-N 1 0 397.313 2.506 20 0 GFADRO C[C@@H]([NH2+][C@H]1CCc2ncc(Br)n2C1)c1cn(-c2ccccc2)nn1 ZINC000901727144 663743726 /nfs/dbraw/zinc/74/37/26/663743726.db2.gz CVMHBSPUPLBQEM-OLZOCXBDSA-N 1 0 387.285 2.892 20 0 GFADRO CC(C)[NH+]1CCC(NC(=O)COc2cccc(C=O)c2Br)CC1 ZINC000902438993 663761153 /nfs/dbraw/zinc/76/11/53/663761153.db2.gz UGSSNMPNMOQXEZ-UHFFFAOYSA-N 1 0 383.286 2.629 20 0 GFADRO CCn1cnc(C[NH2+]C[C@H](CO)Cc2ccc(OC)c(Br)c2)c1 ZINC000902583403 663763921 /nfs/dbraw/zinc/76/39/21/663763921.db2.gz CXAKLRCTJHGFAM-CQSZACIVSA-N 1 0 382.302 2.615 20 0 GFADRO O=c1ccn(C[N@@H+]2CCC[C@H]2C2OCCO2)c2c(Br)cccc12 ZINC000902621813 663764704 /nfs/dbraw/zinc/76/47/04/663764704.db2.gz GLCKFXWSUKQLPO-AWEZNQCLSA-N 1 0 379.254 2.559 20 0 GFADRO C[C@H]([NH2+]C[C@@]1(N2CCOCC2)CCSC1)c1ccc(C(F)(F)F)cn1 ZINC000902765792 663767270 /nfs/dbraw/zinc/76/72/70/663767270.db2.gz BZKNYTIFZUPTDE-BBRMVZONSA-N 1 0 375.460 2.959 20 0 GFADRO C[C@@H]([NH2+][C@@H]1CCN(CCN2CCOCC2)C1)c1ccc(C(F)(F)F)s1 ZINC000902806340 663767812 /nfs/dbraw/zinc/76/78/12/663767812.db2.gz KGELSEZVPTXYRR-ZIAGYGMSSA-N 1 0 377.476 2.824 20 0 GFADRO C[C@@H](CCS(C)(=O)=O)[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)CC(C)(C)C1 ZINC000903114237 663774361 /nfs/dbraw/zinc/77/43/61/663774361.db2.gz XCVXDLQPVJAZHF-GJZGRUSLSA-N 1 0 376.563 2.825 20 0 GFADRO Clc1cc(I)ccc1C[NH2+][C@@H]1CCO[C@@]12CCOC2 ZINC000903167753 663776728 /nfs/dbraw/zinc/77/67/28/663776728.db2.gz PBIJBRWTEXLLTI-ZIAGYGMSSA-N 1 0 393.652 2.982 20 0 GFADRO CC(C)(C)C[C@H]([NH2+]CCS(=O)(=O)N=S(C)(C)=O)c1ccc(F)cc1 ZINC000903226375 663779107 /nfs/dbraw/zinc/77/91/07/663779107.db2.gz LVGOVNSTHRQPPV-HNNXBMFYSA-N 1 0 378.535 2.950 20 0 GFADRO COc1ncc([C@H](C)[NH2+]C[C@H]2CCCC[C@H]2NS(C)(=O)=O)cc1Cl ZINC000903232771 663779958 /nfs/dbraw/zinc/77/99/58/663779958.db2.gz BYYJGBNFASSQGY-YWPYICTPSA-N 1 0 375.922 2.502 20 0 GFADRO CC[C@@H]([NH2+]C[C@]1(OC)CCS(=O)(=O)C1)c1ccc(OC(F)(F)F)cc1 ZINC000903362965 663782577 /nfs/dbraw/zinc/78/25/77/663782577.db2.gz KQGAGVWEYMXZMQ-HUUCEWRRSA-N 1 0 381.416 2.830 20 0 GFADRO CO[C@]1(C[NH2+][C@H](C)c2sc(-c3ccccc3)nc2C)CCS(=O)(=O)C1 ZINC000903369449 663783194 /nfs/dbraw/zinc/78/31/94/663783194.db2.gz XNFIHBODVDMGKA-ACJLOTCBSA-N 1 0 380.535 2.973 20 0 GFADRO C[C@H]([NH2+]CC1(O)CCC2(CC1)OCCO2)c1ncc(Br)cc1F ZINC000903373718 663783452 /nfs/dbraw/zinc/78/34/52/663783452.db2.gz XMCRCFFTKRUOND-NSHDSACASA-N 1 0 389.265 2.682 20 0 GFADRO OC1(C[NH2+][C@H]2CCc3cccc(Br)c3C2)CCC2(CC1)OCCO2 ZINC000903371505 663783457 /nfs/dbraw/zinc/78/34/57/663783457.db2.gz CFPYOKDTKGXKQT-HNNXBMFYSA-N 1 0 396.325 2.944 20 0 GFADRO O=c1cc(N2CC[C@H]([NH2+][C@@H]3CCCc4ncc(Br)cc43)C2)nc[nH]1 ZINC000903400670 663783928 /nfs/dbraw/zinc/78/39/28/663783928.db2.gz WUMDNEHTVHRWJW-SWLSCSKDSA-N 1 0 390.285 2.586 20 0 GFADRO O=c1ccn(CCC[NH2+][C@@H](Cc2ccccc2Br)C2CC2)c(=O)[nH]1 ZINC000903430718 663784361 /nfs/dbraw/zinc/78/43/61/663784361.db2.gz ZMUYOLQDPBKQTD-INIZCTEOSA-N 1 0 392.297 2.712 20 0 GFADRO C[C@H]([NH2+][C@H]1CCN(c2cn[nH]c(=O)c2Cl)C1)c1cncc(Br)c1 ZINC000903435858 663784667 /nfs/dbraw/zinc/78/46/67/663784667.db2.gz SRWWEGHBORLFFC-CABZTGNLSA-N 1 0 398.692 2.923 20 0 GFADRO C[C@@H]([NH2+][C@H]1CCc2ncc(Br)n2C1)c1ccc2c(c1)OCC(=O)N2 ZINC000903479524 663785362 /nfs/dbraw/zinc/78/53/62/663785362.db2.gz KSCGQQPMLDQSMR-PWSUYJOCSA-N 1 0 391.269 2.642 20 0 GFADRO [NH3+]C1C[C@H]2CCC[C@@H](C1)N2S(=O)(=O)c1c[nH]c2cc(Br)ccc21 ZINC000903487823 663785611 /nfs/dbraw/zinc/78/56/11/663785611.db2.gz IFZDLFMGSDSHPX-YHWZYXNKSA-N 1 0 398.326 2.963 20 0 GFADRO CN(C1CC[NH2+]CC1)S(=O)(=O)Cc1cccc(Cl)c1Br ZINC000903510175 663785985 /nfs/dbraw/zinc/78/59/85/663785985.db2.gz DUAGEJCQYMODSR-UHFFFAOYSA-N 1 0 381.723 2.616 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(S(=O)(=O)c3cc4ccccc4s3)C2)C1 ZINC000903505779 663785986 /nfs/dbraw/zinc/78/59/86/663785986.db2.gz JZRIQLYNBHKCMK-OAGGEKHMSA-N 1 0 380.535 2.808 20 0 GFADRO COc1cc(Cl)c(C)cc1NC(=O)CN1CC[C@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000903535312 663787592 /nfs/dbraw/zinc/78/75/92/663787592.db2.gz XSZWYVHWUIUPCI-JQWIXIFHSA-N 1 0 379.810 2.807 20 0 GFADRO O=S(=O)(c1cccc(Cl)c1Cl)N1CC[NH2+]CCC12CCOCC2 ZINC000903548181 663788222 /nfs/dbraw/zinc/78/82/22/663788222.db2.gz ZAVMQJWMAKOATF-UHFFFAOYSA-N 1 0 379.309 2.527 20 0 GFADRO Cc1cccc2cc(S(=O)(=O)N3CC[NH2+]CCC34CCOCC4)sc21 ZINC000903549258 663788371 /nfs/dbraw/zinc/78/83/71/663788371.db2.gz HRLFJWNPFNGYLL-UHFFFAOYSA-N 1 0 380.535 2.743 20 0 GFADRO Cc1cc(S(=O)(=O)NC2(C3CC[NH2+]CC3)CC2)sc1Br ZINC000903556728 663788585 /nfs/dbraw/zinc/78/85/85/663788585.db2.gz HLSGISPEXASAMP-UHFFFAOYSA-N 1 0 379.345 2.630 20 0 GFADRO [NH3+][C@@H]1CN(S(=O)(=O)/C=C\c2ccc(Br)cc2)C[C@H]1C(F)(F)F ZINC000903570530 663788996 /nfs/dbraw/zinc/78/89/96/663788996.db2.gz ODRCBCLTRXHNDD-GKKDLHFNSA-N 1 0 399.232 2.571 20 0 GFADRO O=S(=O)(N[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1cccc(Cl)c1 ZINC000903573470 663789505 /nfs/dbraw/zinc/78/95/05/663789505.db2.gz IVCGMWNVIHJDKC-FUHWJXTLSA-N 1 0 378.881 2.874 20 0 GFADRO [NH3+][C@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC[C@H]1C(F)(F)F ZINC000903576979 663789529 /nfs/dbraw/zinc/78/95/29/663789529.db2.gz BDOPHFICFPUQFV-MNOVXSKESA-N 1 0 376.322 2.606 20 0 GFADRO O=S(=O)(N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc(Cl)s1 ZINC000903574290 663789563 /nfs/dbraw/zinc/78/95/63/663789563.db2.gz PGYCXYHNLVBLFH-WBMJQRKESA-N 1 0 384.910 2.936 20 0 GFADRO [NH3+][C@H]1CN(S(=O)(=O)c2ccc(Cl)cc2Cl)CC[C@@H]1C(F)(F)F ZINC000903579015 663790048 /nfs/dbraw/zinc/79/00/48/663790048.db2.gz LELZFFZNGMAKNH-WPRPVWTQSA-N 1 0 377.215 2.894 20 0 GFADRO [NH3+]C[C@@H]1Cc2cc(F)ccc2N(S(=O)(=O)c2cnc(Cl)c(Cl)c2)C1 ZINC000903587805 663790681 /nfs/dbraw/zinc/79/06/81/663790681.db2.gz BERFLUGVWRRZJB-VIFPVBQESA-N 1 0 390.267 2.854 20 0 GFADRO O=S(=O)(c1csc(-c2ccc(Cl)cc2)n1)N1CCC[C@@]12CC[NH2+]C2 ZINC000903593439 663791061 /nfs/dbraw/zinc/79/10/61/663791061.db2.gz MTLFRGUURNIHHO-INIZCTEOSA-N 1 0 383.926 2.980 20 0 GFADRO C[NH+]1CCN(c2nc3ccc(NS(=O)(=O)CCCCF)cc3s2)CC1 ZINC000903652793 663797936 /nfs/dbraw/zinc/79/79/36/663797936.db2.gz UZJZYUWFVGMBQQ-UHFFFAOYSA-N 1 0 386.518 2.540 20 0 GFADRO Brc1cccc([C@H]2CN(C[C@H]3CC4(CO3)CC[NH2+]CC4)CCO2)c1 ZINC000903726230 663805128 /nfs/dbraw/zinc/80/51/28/663805128.db2.gz LCAMGHDWEZSROF-QZTJIDSGSA-N 1 0 395.341 2.981 20 0 GFADRO Cc1cccc(C[NH+]2CCC(c3nnc4n3CCNC4)CC2)c1Br ZINC000903751228 663805938 /nfs/dbraw/zinc/80/59/38/663805938.db2.gz GGANUNZTIOTRQJ-UHFFFAOYSA-N 1 0 390.329 2.832 20 0 GFADRO CC(C)(C[NH3+])C1CCN(Cc2nnnn2-c2ccccc2Br)CC1 ZINC000903790564 663807036 /nfs/dbraw/zinc/80/70/36/663807036.db2.gz OPAUZKAYKZCAPE-UHFFFAOYSA-N 1 0 393.333 2.622 20 0 GFADRO Cc1cc(Br)cn2c(CN3CCc4sc(C[NH3+])nc4C3)cnc12 ZINC000903942851 663813011 /nfs/dbraw/zinc/81/30/11/663813011.db2.gz WJUVHRVVMCMYHT-UHFFFAOYSA-N 1 0 392.326 2.879 20 0 GFADRO Ic1ccc(OCc2noc([C@H]3[C@@H]4CC[NH2+]C[C@@H]43)n2)cc1 ZINC000904116615 663825116 /nfs/dbraw/zinc/82/51/16/663825116.db2.gz LTUSDJGLVYBMJM-DYEKYZERSA-N 1 0 397.216 2.576 20 0 GFADRO COc1cc(Br)c(NC(=O)N2CC[C@H]3CC[C@]32C[NH3+])cc1OC ZINC000904309215 663830473 /nfs/dbraw/zinc/83/04/73/663830473.db2.gz DCUHDKDNHDZMQE-HWPZZCPQSA-N 1 0 384.274 2.811 20 0 GFADRO O=C(Nc1nnc(-c2ccsc2)s1)N1CC[NH2+]CCC12CCOCC2 ZINC000904307977 663830490 /nfs/dbraw/zinc/83/04/90/663830490.db2.gz INQNVIKYKBLOKU-UHFFFAOYSA-N 1 0 379.511 2.643 20 0 GFADRO Nc1ccc(C[NH+]2CCC(C(=O)Nc3ccc(Br)cc3)CC2)nn1 ZINC000904337706 663830782 /nfs/dbraw/zinc/83/07/82/663830782.db2.gz FSYUYVFGUCHAKB-UHFFFAOYSA-N 1 0 390.285 2.672 20 0 GFADRO [NH3+]C[C@H]1C[C@H](NC(=O)Nc2cc(Br)cnc2OCC(F)(F)F)C1 ZINC000904340781 663831022 /nfs/dbraw/zinc/83/10/22/663831022.db2.gz DFPAOTNCBDDBLV-XWEPSHTISA-N 1 0 397.195 2.644 20 0 GFADRO COC(=O)c1cc(NC(=O)N2CC[C@@H]3CC[C@@]32C[NH3+])ccc1Br ZINC000904407349 663833104 /nfs/dbraw/zinc/83/31/04/663833104.db2.gz UIYHICQOCTWREW-MGPLVRAMSA-N 1 0 382.258 2.581 20 0 GFADRO Cc1cc2c(cc1Br)CN(Cc1cnnn1[C@@H]1CCC[NH2+]C1)CC2 ZINC000904433419 663834268 /nfs/dbraw/zinc/83/42/68/663834268.db2.gz NJXHWCGMEMWHKE-MRXNPFEDSA-N 1 0 390.329 2.832 20 0 GFADRO COC(=O)c1cccc(NC(=O)N2CCC[C@@H]3CC[C@]32C[NH3+])c1Br ZINC000904449080 663834778 /nfs/dbraw/zinc/83/47/78/663834778.db2.gz FYUPBILCDLKXAA-DIFFPNOSSA-N 1 0 396.285 2.971 20 0 GFADRO O=C(NC[C@@H]1CCCCC[NH2+]1)Nc1ccnn1-c1ccc(Br)cn1 ZINC000904458912 663835102 /nfs/dbraw/zinc/83/51/02/663835102.db2.gz KCFPPMMYMFKXLK-ZDUSSCGKSA-N 1 0 393.289 2.684 20 0 GFADRO O=C(Nc1ccn(-c2ccc(Br)cc2)n1)N1CCC[C@@]12CC[NH2+]C2 ZINC000904484263 663836037 /nfs/dbraw/zinc/83/60/37/663836037.db2.gz OAYYXKRDNXPRLZ-KRWDZBQOSA-N 1 0 390.285 2.995 20 0 GFADRO [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)Nc1ccc(I)cc1F)C2 ZINC000904522395 663836603 /nfs/dbraw/zinc/83/66/03/663836603.db2.gz UZMMGFJQJWUMDG-LSJOCFKGSA-N 1 0 389.212 2.774 20 0 GFADRO COCC[C@@H]1C[NH2+]CCN1C(=O)Nc1ccc(F)c(Br)c1F ZINC000904527400 663836995 /nfs/dbraw/zinc/83/69/95/663836995.db2.gz PJLRBIILUPYCLG-SECBINFHSA-N 1 0 378.217 2.570 20 0 GFADRO CC(C)(C[NH3+])Cc1nc(Cc2cc(Br)c3c(c2)OCCO3)no1 ZINC000904664632 663839582 /nfs/dbraw/zinc/83/95/82/663839582.db2.gz GHLZGRILGWSXLG-UHFFFAOYSA-N 1 0 382.258 2.722 20 0 GFADRO COCCOc1ccc(Cl)cc1-c1noc(Cc2csc(C[NH3+])n2)n1 ZINC000904671096 663839740 /nfs/dbraw/zinc/83/97/40/663839740.db2.gz GFLARZNPRJFMMV-UHFFFAOYSA-N 1 0 380.857 2.921 20 0 GFADRO C[C@@H](c1noc([C@H]2CCCN(CC[NH3+])C2=O)n1)c1ccc(Br)cc1 ZINC000904679252 663840453 /nfs/dbraw/zinc/84/04/53/663840453.db2.gz ZRMGWTMYXNPNNT-BXUZGUMPSA-N 1 0 393.285 2.649 20 0 GFADRO Ic1ccc(OCc2noc([C@@H]3C[C@@H]4CC[C@H]3[NH2+]4)n2)cc1 ZINC000904708048 663841646 /nfs/dbraw/zinc/84/16/46/663841646.db2.gz LAFROCHEYZYCGQ-CYZMBNFOSA-N 1 0 397.216 2.861 20 0 GFADRO COC(=O)c1cc(Cl)c(Cl)cc1NC(=O)COC1CC[NH+](C)CC1 ZINC000905038423 663850174 /nfs/dbraw/zinc/85/01/74/663850174.db2.gz CLCBCDSGVAIOBW-UHFFFAOYSA-N 1 0 375.252 2.829 20 0 GFADRO C[C@](O)(C[NH2+]CCS(=O)(=O)c1ccc(Cl)cc1)C(F)(F)C(F)(F)F ZINC000905061822 663850988 /nfs/dbraw/zinc/85/09/88/663850988.db2.gz JQNRCDWPBVZKBV-NSHDSACASA-N 1 0 395.777 2.652 20 0 GFADRO COCC[NH2+]Cc1ccn(Cc2cn(-c3cccc(Cl)c3Cl)nn2)n1 ZINC000905062441 663851045 /nfs/dbraw/zinc/85/10/45/663851045.db2.gz UFGHMMPEDLLTFZ-UHFFFAOYSA-N 1 0 381.267 2.555 20 0 GFADRO CC[C@H](C[NH2+]C[C@H](O)C1(O)CCOCC1)Cc1cccc(Br)c1 ZINC000905128598 663854091 /nfs/dbraw/zinc/85/40/91/663854091.db2.gz SLBCTYZUSLBDLS-YOEHRIQHSA-N 1 0 386.330 2.510 20 0 GFADRO C[C@@](O)(C[NH2+]CCCCn1cc(Br)cn1)C(F)(F)C(F)(F)F ZINC000905244067 663862203 /nfs/dbraw/zinc/86/22/03/663862203.db2.gz UYSDSJMSHKPHRU-SNVBAGLBSA-N 1 0 394.182 2.964 20 0 GFADRO CC[C@@](O)(C[NH2+]Cc1cc(C(F)(F)F)cc(S(C)(=O)=O)c1)C(F)(F)F ZINC000905255560 663862868 /nfs/dbraw/zinc/86/28/68/663862868.db2.gz UTKDPYIUDJJOFC-GFCCVEGCSA-N 1 0 393.349 2.902 20 0 GFADRO O=S(=O)(CC1CC[NH2+]CC1)N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000905341352 663866414 /nfs/dbraw/zinc/86/64/14/663866414.db2.gz ZJVRHVIFZQRUBL-MRXNPFEDSA-N 1 0 393.336 2.696 20 0 GFADRO O[C@H](C[NH2+]C[C@@H](O)c1ccccc1Br)C[C@H](O)c1ccccc1 ZINC000905366613 663867553 /nfs/dbraw/zinc/86/75/53/663867553.db2.gz HALWYQRXDOHFRU-JCGIZDLHSA-N 1 0 380.282 2.557 20 0 GFADRO CC(C)[NH+]1CCN(CCC[NH2+][C@H](C(=O)[O-])c2ccc(Br)cc2)CC1 ZINC000905376539 663868612 /nfs/dbraw/zinc/86/86/12/663868612.db2.gz VGFUWDLCMSSNSW-KRWDZBQOSA-N 1 0 398.345 2.581 20 0 GFADRO CC(C)[NH+](CCNC(=O)c1nscc1I)C(C)C ZINC000905392845 663869293 /nfs/dbraw/zinc/86/92/93/663869293.db2.gz XSSWCKDRMRZMOM-UHFFFAOYSA-N 1 0 381.283 2.596 20 0 GFADRO C[C@H](C[NH2+]C[C@](C)(O)C(F)(F)C(F)(F)F)c1ccc(S(C)(=O)=O)cc1 ZINC000905403386 663869915 /nfs/dbraw/zinc/86/99/15/663869915.db2.gz BKYGERMSTKCQMH-MFKMUULPSA-N 1 0 389.386 2.732 20 0 GFADRO O[C@H](C[NH2+]Cc1cc2cc(Br)ccc2o1)CC1(O)CCOCC1 ZINC000905416315 663870580 /nfs/dbraw/zinc/87/05/80/663870580.db2.gz AOFGQTZXXQACBL-AWEZNQCLSA-N 1 0 384.270 2.577 20 0 GFADRO Cn1cc(C[NH2+]C[C@@H](O)CO[C@@H]2CCCc3ccccc32)c(Br)n1 ZINC000905520845 663876118 /nfs/dbraw/zinc/87/61/18/663876118.db2.gz MGQOPLFVZWBPEU-NVXWUHKLSA-N 1 0 394.313 2.727 20 0 GFADRO CC(C)O[C@@]1(C[NH2+]C[C@@H](O)c2ccc(F)c(Br)c2)CCOC1 ZINC000905555138 663878221 /nfs/dbraw/zinc/87/82/21/663878221.db2.gz FIWUYYPXTIEYCJ-HZPDHXFCSA-N 1 0 376.266 2.795 20 0 GFADRO O=C(CC[NH2+]CC1(n2cc(Br)cn2)CC1)Nc1ccccc1F ZINC000905588737 663880099 /nfs/dbraw/zinc/88/00/99/663880099.db2.gz YEVKKJGHQJHAAF-UHFFFAOYSA-N 1 0 381.249 2.892 20 0 GFADRO CC(C)NC(=O)CNC(=S)Nc1ccc(C[NH+](C)C)c(C(F)(F)F)c1 ZINC000905595929 663880487 /nfs/dbraw/zinc/88/04/87/663880487.db2.gz JWCOPXRITDNBEX-UHFFFAOYSA-N 1 0 376.448 2.578 20 0 GFADRO COC(=O)[C@@H]1C[C@@H]2C[C@H]([NH2+]C[C@@H](O)COc3ccc(Cl)cc3Cl)[C@@H]2C1 ZINC000905655415 663884006 /nfs/dbraw/zinc/88/40/06/663884006.db2.gz WODIRWDAOUOZGB-CRIQSBETSA-N 1 0 388.291 2.910 20 0 GFADRO COC(=O)c1cc2n(n1)CCC[C@H]2[NH2+]C[C@H](O)c1ccc(Br)cc1 ZINC000905669772 663884977 /nfs/dbraw/zinc/88/49/77/663884977.db2.gz WWOCVTKTTVALNG-CJNGLKHVSA-N 1 0 394.269 2.590 20 0 GFADRO O[C@H](C[NH2+]CC[C@@H](O)C1CC1)COc1ccc(Cl)cc1Br ZINC000905689901 663886388 /nfs/dbraw/zinc/88/63/88/663886388.db2.gz CLLUZAKJPZTPPL-TZMCWYRMSA-N 1 0 378.694 2.593 20 0 GFADRO Cc1nc(-c2ccc(Br)cc2)nn1C[N@@H+]1CC[C@@H](C2OCCO2)C1 ZINC000905696797 663887273 /nfs/dbraw/zinc/88/72/73/663887273.db2.gz RONANIRWSRZBTR-CQSZACIVSA-N 1 0 393.285 2.668 20 0 GFADRO C[C@@H]1[C@H](C)OC[C@]12CC[C@H](C[NH2+][C@H](C(N)=O)c1ccc(Br)cc1)O2 ZINC000905841720 663895940 /nfs/dbraw/zinc/89/59/40/663895940.db2.gz FOKVSEUOMTUJBG-OCNLAWHFSA-N 1 0 397.313 2.538 20 0 GFADRO C[NH+](C)CCC(=O)Nc1ccc(NC(=O)C[C@H](O)C(Cl)(Cl)Cl)cc1 ZINC000906437303 663947968 /nfs/dbraw/zinc/94/79/68/663947968.db2.gz QULCEHPAIYDKMC-LBPRGKRZSA-N 1 0 396.702 2.637 20 0 GFADRO C[N@@H+]1CCC[C@H](NC(=O)c2ccc(Cn3cc(Br)cn3)s2)C1 ZINC000906585014 663959935 /nfs/dbraw/zinc/95/99/35/663959935.db2.gz NZOXQPVGBQYUCU-LBPRGKRZSA-N 1 0 383.315 2.579 20 0 GFADRO CCC[N@@H+]1CCC[C@@H](C(=O)N2CCC(n3cc(Br)cn3)CC2)C1 ZINC000906637398 663961992 /nfs/dbraw/zinc/96/19/92/663961992.db2.gz TWOBQXVHCVCUFM-CQSZACIVSA-N 1 0 383.334 2.931 20 0 GFADRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(F)(F)c1ncccc1Br ZINC000906792848 663971632 /nfs/dbraw/zinc/97/16/32/663971632.db2.gz OMUIJQOJWUQLDM-ZYHUDNBSSA-N 1 0 376.245 2.735 20 0 GFADRO O=S(=O)(NC[C@H]1CC[N@@H+](C2CC2)C1)c1c[nH]c2c1cccc2Br ZINC000906832799 663974611 /nfs/dbraw/zinc/97/46/11/663974611.db2.gz CWPMEYGPJFFJTB-LLVKDONJSA-N 1 0 398.326 2.693 20 0 GFADRO CO[C@@H](C(=O)NC[C@@]1([NH+](C)C)CCSC1)c1ccc(Br)s1 ZINC000906900417 663980554 /nfs/dbraw/zinc/98/05/54/663980554.db2.gz HGELUPNLVQLZRF-OCCSQVGLSA-N 1 0 393.372 2.752 20 0 GFADRO Cc1ccc(NC(=O)c2cc(Br)cn(C3CC3)c2=O)c(N(C)C)n1 ZINC000907105322 664002289 /nfs/dbraw/zinc/00/22/89/664002289.db2.gz ZYGZQZKYKPDGEQ-UHFFFAOYSA-N 1 0 391.269 2.967 20 0 GFADRO C[NH+]1CCC2(CCN2S(=O)(=O)c2ccc(Cl)c(Br)c2)CC1 ZINC000907855278 664066149 /nfs/dbraw/zinc/06/61/49/664066149.db2.gz GYTWBKZJYHGFLT-UHFFFAOYSA-N 1 0 393.734 2.961 20 0 GFADRO Cc1cc(Br)c(CC(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)s1 ZINC000908001003 664076148 /nfs/dbraw/zinc/07/61/48/664076148.db2.gz IWGSFNRYCIMYIK-UHFFFAOYSA-N 1 0 388.375 2.504 20 0 GFADRO C[NH+]1CCC(ONC(=O)c2ccc(Cn3cc(Br)cn3)s2)CC1 ZINC000908028649 664078155 /nfs/dbraw/zinc/07/81/55/664078155.db2.gz BWHHHXDXWTVMTL-UHFFFAOYSA-N 1 0 399.314 2.511 20 0 GFADRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)c3cccn4ncc(Br)c34)C2)C1 ZINC000908423619 664105340 /nfs/dbraw/zinc/10/53/40/664105340.db2.gz VYEPYFZRWZBCJM-QGZVFWFLSA-N 1 0 377.286 2.655 20 0 GFADRO Cn1c(-c2ccc(Br)s2)nnc1N1C[C@H]2C[N@H+](C)C[C@@]2(C)C1 ZINC000908596683 664116435 /nfs/dbraw/zinc/11/64/35/664116435.db2.gz YUOWOFRSEKPKJT-BMIGLBTASA-N 1 0 382.331 2.694 20 0 GFADRO Cc1ccc(CC(=O)N2CCC(CO)([NH2+]C(C)C)CC2)cc1Br ZINC000908600662 664116733 /nfs/dbraw/zinc/11/67/33/664116733.db2.gz MQULAJUEMRVGOA-UHFFFAOYSA-N 1 0 383.330 2.652 20 0 GFADRO C/C(=C\c1ccc(Br)o1)C(=O)N1CCC(CO)([NH2+]C(C)C)CC1 ZINC000908613111 664117798 /nfs/dbraw/zinc/11/77/98/664117798.db2.gz UHYZQVBNDMYQLU-JLHYYAGUSA-N 1 0 385.302 2.797 20 0 GFADRO O=C(NCC1(Br)CC1)c1ccc(C[NH+]2CCC(CO)CC2)cc1 ZINC000910196569 664199448 /nfs/dbraw/zinc/19/94/48/664199448.db2.gz BTKXTXWBHWWUFG-UHFFFAOYSA-N 1 0 381.314 2.548 20 0 GFADRO CC[N@@H+]1CCCN(C(=O)c2ccc3cncc(Br)c3n2)[C@H](C)C1 ZINC000910265306 664203653 /nfs/dbraw/zinc/20/36/53/664203653.db2.gz GZQGNMPTDUGENQ-GFCCVEGCSA-N 1 0 377.286 2.949 20 0 GFADRO CC[N@@H+]1CCCN(C(=O)[C@@H]2CCO[C@H]2c2cncc(Br)c2)[C@H](C)C1 ZINC000910266849 664204051 /nfs/dbraw/zinc/20/40/51/664204051.db2.gz OYRKWCHBGBVORJ-XYPHTWIQSA-N 1 0 396.329 2.864 20 0 GFADRO CC[C@@H](NC(=O)C(=O)N[C@@H]1Cc2ccccc2[C@H]1[NH3+])c1ccc(Cl)s1 ZINC000911036735 664233892 /nfs/dbraw/zinc/23/38/92/664233892.db2.gz YVAFHLZEEZDQBT-XJKCOSOUSA-N 1 0 377.897 2.710 20 0 GFADRO C[C@@H](NC(=O)c1ccc(Cn2cc(Br)cn2)s1)[C@@H]1CCC[NH2+]C1 ZINC000911719730 664253987 /nfs/dbraw/zinc/25/39/87/664253987.db2.gz OPWWXYNVWIRRFG-VXGBXAGGSA-N 1 0 397.342 2.873 20 0 GFADRO [NH3+]C1CCC(NC(=O)c2ccc(Cn3cc(Br)cn3)s2)CC1 ZINC000911728678 664254472 /nfs/dbraw/zinc/25/44/72/664254472.db2.gz YDVYBZZIFDRBDL-UHFFFAOYSA-N 1 0 383.315 2.755 20 0 GFADRO [NH3+]CC1(NC(=O)c2cnn(Cc3ccccc3)c2Br)CCCC1 ZINC000911800075 664256752 /nfs/dbraw/zinc/25/67/52/664256752.db2.gz LXPMOANZUXTSOM-UHFFFAOYSA-N 1 0 377.286 2.695 20 0 GFADRO O[C@H]1CCC[C@H]1[NH+]1CCN(c2ccc(-c3nnc(Br)o3)cc2)CC1 ZINC000911855059 664258978 /nfs/dbraw/zinc/25/89/78/664258978.db2.gz DWKGRLLKTMFUAU-CABCVRRESA-N 1 0 393.285 2.535 20 0 GFADRO CCCC[C@H](C[NH3+])NC(=O)c1cc(Br)cnc1Br ZINC000911882736 664260751 /nfs/dbraw/zinc/26/07/51/664260751.db2.gz VTSAJHHGBYFBBC-SECBINFHSA-N 1 0 379.096 2.854 20 0 GFADRO Cc1ccc(NC(=O)c2cc3n(n2)CCC[C@@H]3[NH3+])cc1I ZINC000911993082 664265212 /nfs/dbraw/zinc/26/52/12/664265212.db2.gz ZNLCIGYHCCTKJH-LBPRGKRZSA-N 1 0 396.232 2.842 20 0 GFADRO CC(C)[C@H]([NH3+])C(=O)NCCC(=O)Nc1ccccc1SCC(F)(F)F ZINC000912195041 664275596 /nfs/dbraw/zinc/27/55/96/664275596.db2.gz XLZUIMYIDSRWJT-AWEZNQCLSA-N 1 0 377.432 2.769 20 0 GFADRO O=C(NCCc1ccc(Br)cc1)c1cnc(C2CC[NH2+]CC2)o1 ZINC000912285643 664279925 /nfs/dbraw/zinc/27/99/25/664279925.db2.gz WEWGFOKGEFCKNO-UHFFFAOYSA-N 1 0 378.270 2.877 20 0 GFADRO CC(C)n1cc(Br)c(C(=O)NC2CC[NH+](C3CCOCC3)CC2)n1 ZINC000912351868 664283071 /nfs/dbraw/zinc/28/30/71/664283071.db2.gz JGWKPDZMAVZGBN-UHFFFAOYSA-N 1 0 399.333 2.600 20 0 GFADRO COc1ncc(NC(=O)CCN2CC[NH+](C(C)C)CC2)c(C)c1Br ZINC000912396858 664284923 /nfs/dbraw/zinc/28/49/23/664284923.db2.gz REROBGRERUWMBB-UHFFFAOYSA-N 1 0 399.333 2.516 20 0 GFADRO Cc1nc(NC(=O)[C@@H]2CCCCC23CC[NH2+]CC3)sc1SCC(N)=O ZINC000912479095 664289569 /nfs/dbraw/zinc/28/95/69/664289569.db2.gz PBLJOEZKHIDWFL-LBPRGKRZSA-N 1 0 382.555 2.527 20 0 GFADRO Cc1nc(CSc2ccccc2C(=O)N(C)CC[N@H+](C)CCO)cs1 ZINC000912610736 664294769 /nfs/dbraw/zinc/29/47/69/664294769.db2.gz KASYZSYKRYYTRF-UHFFFAOYSA-N 1 0 379.551 2.740 20 0 GFADRO C[C@H](C[NH+](C)C)[C@H]1CCCCN1C(=O)c1cc2ncc(Br)cn2n1 ZINC000912801252 664303130 /nfs/dbraw/zinc/30/31/30/664303130.db2.gz JIPOTRNFRNWLEN-IUODEOHRSA-N 1 0 394.317 2.684 20 0 GFADRO O=C(c1ccc2[nH]cc(I)c2c1)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000912899861 664309063 /nfs/dbraw/zinc/30/90/63/664309063.db2.gz BRZRNSJTBYJIEX-GFCCVEGCSA-N 1 0 395.244 2.693 20 0 GFADRO O=C(c1nn(-c2ccc(F)cc2)cc1Br)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000912915669 664309893 /nfs/dbraw/zinc/30/98/93/664309893.db2.gz IGRDNMMODJIIQZ-CQSZACIVSA-N 1 0 393.260 2.694 20 0 GFADRO C[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1NC(=O)c1cn(C)nc1Br ZINC000913103159 664324057 /nfs/dbraw/zinc/32/40/57/664324057.db2.gz KPAVOZJQMSKYGE-XJKSGUPXSA-N 1 0 391.313 2.823 20 0 GFADRO Cc1nc(CC(F)(F)F)sc1CC(=O)N1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000913275918 664330642 /nfs/dbraw/zinc/33/06/42/664330642.db2.gz WVUCOUFEEVJODX-HOTGVXAUSA-N 1 0 375.460 2.899 20 0 GFADRO CC(=O)N[C@@H](C(=O)N1CCC(C)([NH+](C)C)CC1)c1cccc(Br)c1 ZINC000913386288 664334386 /nfs/dbraw/zinc/33/43/86/664334386.db2.gz AMRQLCMWYLYZKC-MRXNPFEDSA-N 1 0 396.329 2.569 20 0 GFADRO C[NH+](C)C1(C)CCN(C(=O)c2cccnc2-n2cc(Br)cn2)CC1 ZINC000913390664 664334605 /nfs/dbraw/zinc/33/46/05/664334605.db2.gz WGUIDAQCQPYOSV-UHFFFAOYSA-N 1 0 392.301 2.586 20 0 GFADRO C[NH+](C)C1(C)CCN(C(=O)c2ccc(Br)cc2-n2cncn2)CC1 ZINC000913394577 664334637 /nfs/dbraw/zinc/33/46/37/664334637.db2.gz ITSOQNKTMWDSNP-UHFFFAOYSA-N 1 0 392.301 2.586 20 0 GFADRO Cc1cc(Br)cc(Cl)c1C(=O)N1CCC(O)(C[NH+](C)C)CC1 ZINC000913678797 664349273 /nfs/dbraw/zinc/34/92/73/664349273.db2.gz XPHYGRVCTZWJKQ-UHFFFAOYSA-N 1 0 389.721 2.940 20 0 GFADRO C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N1CCC(O)(C[NH+](C)C)CC1 ZINC000913683209 664349864 /nfs/dbraw/zinc/34/98/64/664349864.db2.gz RWFKYWALCHZATK-GFCCVEGCSA-N 1 0 375.296 2.676 20 0 GFADRO C[NH+](C)CC1(O)CCN(C(=O)[C@H]2C[C@@]2(C)c2cccc(Br)c2)CC1 ZINC000913683888 664350042 /nfs/dbraw/zinc/35/00/42/664350042.db2.gz WVSWJQARBDLORX-AEFFLSMTSA-N 1 0 395.341 2.642 20 0 GFADRO C[NH+](C)C1(C)CCC(NC(=O)c2nscc2I)CC1 ZINC000913738005 664354001 /nfs/dbraw/zinc/35/40/01/664354001.db2.gz GGNMKDUNHVTSJK-UHFFFAOYSA-N 1 0 393.294 2.740 20 0 GFADRO C[NH+]1CCC(NC(=O)N2CCC[C@@](O)(c3ccc(Br)cc3)C2)CC1 ZINC000913881672 664363062 /nfs/dbraw/zinc/36/30/62/664363062.db2.gz FTTTUEHWAWJIOF-SFHVURJKSA-N 1 0 396.329 2.536 20 0 GFADRO O=C(NCc1csc(Br)c1)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000914202764 664385141 /nfs/dbraw/zinc/38/51/41/664385141.db2.gz RUJRYYJOLQGEKX-CYBMUJFWSA-N 1 0 388.331 2.563 20 0 GFADRO O=C(NCc1cc(Br)cs1)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000914200769 664385159 /nfs/dbraw/zinc/38/51/59/664385159.db2.gz OYGWHGXRIPMWBM-CYBMUJFWSA-N 1 0 388.331 2.563 20 0 GFADRO C[C@@H]1CCC[C@](CNC(=O)N(C)Cc2ncc(Br)cn2)([NH+](C)C)C1 ZINC000914313749 664398115 /nfs/dbraw/zinc/39/81/15/664398115.db2.gz FJPNNACCNGAOFB-DYVFJYSZSA-N 1 0 398.349 2.891 20 0 GFADRO O=S(=O)(C[C@@]12CC[N@H+](C1)CCC2)Oc1cc(Cl)cnc1Br ZINC000914329902 664400319 /nfs/dbraw/zinc/40/03/19/664400319.db2.gz DOZBADITFKOSRG-ZDUSSCGKSA-N 1 0 395.706 2.692 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1CCNC(=O)/C=C\c1ccc(I)o1 ZINC000915627423 664435922 /nfs/dbraw/zinc/43/59/22/664435922.db2.gz IFHTYZHJDUILQT-XYLWRLHESA-N 1 0 388.249 2.888 20 0 GFADRO CCn1c(SCC(=O)N[C@H](C[NH+](C)C)C(C)C)nnc1-c1cccs1 ZINC000915624296 664436017 /nfs/dbraw/zinc/43/60/17/664436017.db2.gz NYKGRAIFGIGRLK-CYBMUJFWSA-N 1 0 381.571 2.821 20 0 GFADRO Cc1csc(C)c1S(=O)(=O)NCc1ccncc1OCCC[NH+](C)C ZINC000915692951 664437949 /nfs/dbraw/zinc/43/79/49/664437949.db2.gz VIYCDEGOTXEJFJ-UHFFFAOYSA-N 1 0 383.539 2.569 20 0 GFADRO C[NH+](C)C1CCC(NS(=O)(=O)Cc2ccc(F)cc2Br)CC1 ZINC000916447088 664461148 /nfs/dbraw/zinc/46/11/48/664461148.db2.gz OQVXBWIILGAVLS-UHFFFAOYSA-N 1 0 393.322 2.880 20 0 GFADRO O=C(C[NH2+]Cc1ccc2c(c1)OCCO2)Nc1ccc(Br)cc1 ZINC000916568482 664465296 /nfs/dbraw/zinc/46/52/96/664465296.db2.gz GMJQFCSOEMYZBX-UHFFFAOYSA-N 1 0 377.238 2.949 20 0 GFADRO C[N@@H+]1CCCC[C@@H](CNS(=O)(=O)Cc2ccsc2Br)C1 ZINC000918009481 664494114 /nfs/dbraw/zinc/49/41/14/664494114.db2.gz FRUSFJRJEZUCBH-NSHDSACASA-N 1 0 381.361 2.662 20 0 GFADRO Nc1cc[nH+]c2c1CN(S(=O)(=O)Cc1cc(Cl)sc1Cl)CC2 ZINC000918906359 664506308 /nfs/dbraw/zinc/50/63/08/664506308.db2.gz NDRXUYLJHAOSKH-UHFFFAOYSA-N 1 0 378.306 2.920 20 0 GFADRO OC[C@@H]1CCCC[N@@H+]1C[C@H](O)COc1ccc(Cl)cc1Br ZINC000920085912 664521769 /nfs/dbraw/zinc/52/17/69/664521769.db2.gz DWPDZPPWKWWJGS-STQMWFEESA-N 1 0 378.694 2.689 20 0 GFADRO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NS(=O)(=O)c3sccc3Cl)C2)[C@H]1C(C)C ZINC000920303998 664524827 /nfs/dbraw/zinc/52/48/27/664524827.db2.gz VVXFSQCTTJRBHX-KQTLUZQSSA-N 1 0 392.974 2.550 20 0 GFADRO CC1(C)NC(=O)N(CC[N@@H+]2CCC[C@@H]2Cc2ccc(Br)cc2)C1=O ZINC000920762807 664530904 /nfs/dbraw/zinc/53/09/04/664530904.db2.gz YGYORIAYWMMABP-OAHLLOKOSA-N 1 0 394.313 2.786 20 0 GFADRO C[C@H](NC(=O)NC[C@H]1CC[N@@H+]1C)c1nc(-c2ccc(Br)cc2)no1 ZINC000921464584 664549761 /nfs/dbraw/zinc/54/97/61/664549761.db2.gz MXUGSWFQGCQRFJ-GXFFZTMASA-N 1 0 394.273 2.563 20 0 GFADRO C[NH+](C)CC[C@H](NS(=O)(=O)c1cnc(Cl)c(Cl)c1)c1cccnc1 ZINC000921481840 664550292 /nfs/dbraw/zinc/55/02/92/664550292.db2.gz VFADULBZIBHSIR-AWEZNQCLSA-N 1 0 389.308 2.755 20 0 GFADRO COc1ccc(S(=O)(=O)N[C@H](CC[NH+](C)C)c2cccnc2)cc1Cl ZINC000921482601 664550330 /nfs/dbraw/zinc/55/03/30/664550330.db2.gz PZKNHENODKZAPF-MRXNPFEDSA-N 1 0 383.901 2.715 20 0 GFADRO O=S1(=O)CC[C@@H](C[NH2+]Cc2cc3c(cc(F)cc3Br)[nH]2)C1 ZINC000921501614 664550809 /nfs/dbraw/zinc/55/08/09/664550809.db2.gz LNVNJCSMCZGSKX-VIFPVBQESA-N 1 0 375.263 2.594 20 0 GFADRO C[NH+](C)Cc1ccc(S(=O)(=O)NCC[C@@H]2CC[C@H](C(F)(F)F)O2)cc1 ZINC000921574886 664554306 /nfs/dbraw/zinc/55/43/06/664554306.db2.gz ONDZWSSJFRRCLT-DZGCQCFKSA-N 1 0 380.432 2.527 20 0 GFADRO CC[C@@H](C)[C@@H](O)C[NH2+]Cc1nc(Br)c(Br)n1CC ZINC000921731065 664565073 /nfs/dbraw/zinc/56/50/73/664565073.db2.gz AWECVUVRQIPFKV-BDAKNGLRSA-N 1 0 383.128 2.925 20 0 GFADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NCc1nc(Br)c[nH]1 ZINC000921803195 664569814 /nfs/dbraw/zinc/56/98/14/664569814.db2.gz NKWYMGSNZNSHNJ-UHFFFAOYSA-N 1 0 394.317 2.935 20 0 GFADRO COc1cc(OC)cc(N2CC[C@@H]([NH2+]Cc3nc(Br)c[nH]3)C2)c1 ZINC000921813759 664570197 /nfs/dbraw/zinc/57/01/97/664570197.db2.gz ITTNQVBLNUTYEX-LLVKDONJSA-N 1 0 381.274 2.558 20 0 GFADRO CCn1c(C[NH2+][C@](C)(CO)C2CC2)nc(Br)c1Br ZINC000921828679 664570928 /nfs/dbraw/zinc/57/09/28/664570928.db2.gz ULQNHUFVYBSOIC-GFCCVEGCSA-N 1 0 381.112 2.679 20 0 GFADRO O=S(=O)(NCCC[NH2+][C@@H]1CC[C@H]2COCC[C@@H]2C1)c1ccccc1Cl ZINC000922091831 664585467 /nfs/dbraw/zinc/58/54/67/664585467.db2.gz MOXAPQDHHXIMQY-OWCLPIDISA-N 1 0 386.945 2.803 20 0 GFADRO OC[C@H](C[NH2+]Cc1cnn(CCF)c1)Cc1cc(Br)ccc1F ZINC000922161284 664588400 /nfs/dbraw/zinc/58/84/00/664588400.db2.gz ADWKNFISFXXFJI-LBPRGKRZSA-N 1 0 388.256 2.695 20 0 GFADRO C[C@H](NC(=O)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12)c1ccc(Br)cn1 ZINC000922291509 664593625 /nfs/dbraw/zinc/59/36/25/664593625.db2.gz ZONLIXMZUIKDJS-CQDKDKBSSA-N 1 0 399.358 2.784 20 0 GFADRO CCO[C@@H](CNC(=O)N[C@@H](c1cncc(Br)c1)C1CC1)C[NH+](C)C ZINC000922393641 664599078 /nfs/dbraw/zinc/59/90/78/664599078.db2.gz QZMICYLFSZBWSM-JKSUJKDBSA-N 1 0 399.333 2.561 20 0 GFADRO Cc1nnc([C@@H]2OCC[C@@H]2C[NH2+]Cc2cc(Br)cnc2Cl)[nH]1 ZINC000922408239 664600269 /nfs/dbraw/zinc/60/02/69/664600269.db2.gz JYMHPOSMFPQBGK-BXKDBHETSA-N 1 0 386.681 2.791 20 0 GFADRO CC1([NH+]2CCCC2)CCC(NC(=O)NCCn2cc(Br)cn2)CC1 ZINC000922459771 664602592 /nfs/dbraw/zinc/60/25/92/664602592.db2.gz XNJIBLFGZJGSKM-UHFFFAOYSA-N 1 0 398.349 2.742 20 0 GFADRO O=c1[nH]c(=O)n(CC(F)(F)F)cc1C[NH2+]Cc1cccc(Br)c1 ZINC000922498737 664604603 /nfs/dbraw/zinc/60/46/03/664604603.db2.gz ZIRGEUAMFFINSG-UHFFFAOYSA-N 1 0 392.175 2.564 20 0 GFADRO CSC1(CNC(=O)NCC[C@H]2CC[C@@H](C(F)(F)F)O2)CC[NH+](C)CC1 ZINC000922529794 664605834 /nfs/dbraw/zinc/60/58/34/664605834.db2.gz KVGJPRBOLGOUJX-OLZOCXBDSA-N 1 0 383.480 2.613 20 0 GFADRO C[C@H](NC(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12)[C@@H]1OCCc2sccc21 ZINC000922597944 664607997 /nfs/dbraw/zinc/60/79/97/664607997.db2.gz UGAFHPLMMXMKNK-GUSZCTEKSA-N 1 0 381.567 2.629 20 0 GFADRO CO[C@@]1(C[NH2+]CC2=Cc3cc(Cl)cc(Cl)c3OC2)CCS(=O)(=O)C1 ZINC000922614558 664608501 /nfs/dbraw/zinc/60/85/01/664608501.db2.gz FWXVPZDZGSKNQR-MRXNPFEDSA-N 1 0 392.304 2.563 20 0 GFADRO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)NCc1cnc(Br)cn1 ZINC000922663166 664610007 /nfs/dbraw/zinc/61/00/07/664610007.db2.gz YPGRQODNLIAVLV-ZDUSSCGKSA-N 1 0 384.322 2.549 20 0 GFADRO CCS(=O)(=O)c1ccccc1CC[NH2+]Cc1ccc(Br)cn1 ZINC000922689367 664610776 /nfs/dbraw/zinc/61/07/76/664610776.db2.gz RUBWOEKJLOYBAJ-UHFFFAOYSA-N 1 0 383.311 2.970 20 0 GFADRO FC(F)Oc1c(Br)cccc1C[NH2+]C[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000922724950 664611995 /nfs/dbraw/zinc/61/19/95/664611995.db2.gz FOKRRHIMRKDUED-MDZLAQPJSA-N 1 0 378.213 2.944 20 0 GFADRO Cn1cc(C[NH2+]CC2(n3cc(Br)cn3)CC2)c(-c2ccncc2)n1 ZINC000922803590 664615112 /nfs/dbraw/zinc/61/51/12/664615112.db2.gz ZXNHPEBZMUZNIC-UHFFFAOYSA-N 1 0 387.285 2.720 20 0 GFADRO Brc1cc2c(cc1C[NH2+]C[C@@H]1CCC3(CCOCC3)O1)OCO2 ZINC000922813737 664615280 /nfs/dbraw/zinc/61/52/80/664615280.db2.gz XKFIQKZSGYIDAZ-ZDUSSCGKSA-N 1 0 384.270 2.996 20 0 GFADRO COCCC1(C(=O)OCc2cnc(Br)c(C)c2)CC[NH+](C)CC1 ZINC000922827640 664615878 /nfs/dbraw/zinc/61/58/78/664615878.db2.gz TYCNEXFBNJCFJF-UHFFFAOYSA-N 1 0 385.302 2.944 20 0 GFADRO CC[N@@H+]1CC[C@@H](NC(=O)N2CCCC[C@H]2c2ncc(Br)cn2)C1 ZINC000922907067 664618248 /nfs/dbraw/zinc/61/82/48/664618248.db2.gz HAGBOGUWQMTVHR-KGLIPLIRSA-N 1 0 382.306 2.570 20 0 GFADRO C[NH+](C)C1CCC(NC(=O)N2CCC[C@@H]2c2ncc(Br)cn2)CC1 ZINC000922931907 664619107 /nfs/dbraw/zinc/61/91/07/664619107.db2.gz YTIYPQIYBLMGLI-YMAMQOFZSA-N 1 0 396.333 2.958 20 0 GFADRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)N2CCCC[C@H]2c2ncc(Br)cn2)C1 ZINC000923120734 664622369 /nfs/dbraw/zinc/62/23/69/664622369.db2.gz WCOZHCQJIBTKIJ-CFVMTHIKSA-N 1 0 396.333 2.816 20 0 GFADRO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)c1cc(I)ccc1F ZINC000923277008 664627207 /nfs/dbraw/zinc/62/72/07/664627207.db2.gz AJLLCPRNBZAERA-NWDGAFQWSA-N 1 0 388.224 2.739 20 0 GFADRO COC(=O)c1cc(Br)c(CN[C@@H]2CC[NH2+]CC2(C)C)cc1OC ZINC000923369579 664629066 /nfs/dbraw/zinc/62/90/66/664629066.db2.gz LBQQLJVDHQHGMK-OAHLLOKOSA-N 1 0 385.302 2.722 20 0 GFADRO [NH3+]C[C@@H]1CN(C[C@@H](O)COc2cc(Cl)ccc2Cl)C[C@@H]1C(F)(F)F ZINC000923423929 664630230 /nfs/dbraw/zinc/63/02/30/664630230.db2.gz CUHMVZILWBKTDL-JLLWLGSASA-N 1 0 387.229 2.802 20 0 GFADRO COC(OC)[C@H](C)NC(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000923450227 664630809 /nfs/dbraw/zinc/63/08/09/664630809.db2.gz SYKQBTFZXHDUFO-IINYFYTJSA-N 1 0 378.300 2.903 20 0 GFADRO CSc1ccc(S(=O)(=O)N2CCC3(CO[C@H](C[NH3+])C3)CC2)cc1Cl ZINC000923688111 664635855 /nfs/dbraw/zinc/63/58/55/664635855.db2.gz SVJXCLMLXYDVBL-LBPRGKRZSA-N 1 0 390.958 2.580 20 0 GFADRO [NH3+][C@@H]1CC[C@H](CNS(=O)(=O)Cc2cc(Cl)ccc2Br)C1 ZINC000923738990 664637398 /nfs/dbraw/zinc/63/73/98/664637398.db2.gz KLRUSFPQLQBKNZ-JOYOIKCWSA-N 1 0 381.723 2.649 20 0 GFADRO Cc1ccsc1S(=O)(=O)N1C[C@H](C[C@@H]2COCC[NH2+]2)c2ccccc21 ZINC000923743144 664637487 /nfs/dbraw/zinc/63/74/87/664637487.db2.gz HFTKYPMGTNMKBY-LSDHHAIUSA-N 1 0 378.519 2.728 20 0 GFADRO Cn1cc(Br)c(C(=O)O[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1=O ZINC000923949977 664641108 /nfs/dbraw/zinc/64/11/08/664641108.db2.gz VYJHUBSQKSSHIY-AWEZNQCLSA-N 1 0 391.265 2.579 20 0 GFADRO C[N@@H+]1C[C@@H](O)C[C@]1(C)C(=O)NCc1cc(C(F)(F)F)ccc1Br ZINC000923960571 664641741 /nfs/dbraw/zinc/64/17/41/664641741.db2.gz KPNSOIWGGDMCCJ-SMDDNHRTSA-N 1 0 395.219 2.539 20 0 GFADRO C[N@@H+]1CC[C@H](c2nc(-c3cnn(-c4ccc(Br)cc4)c3N)no2)C1 ZINC000924218328 664651380 /nfs/dbraw/zinc/65/13/80/664651380.db2.gz BIOCYOIUZYLNOU-JTQLQIEISA-N 1 0 389.257 2.686 20 0 GFADRO C[C@@H]([NH2+]C[C@H](c1ccccc1Cl)N(C)C)C1CCN(S(C)(=O)=O)CC1 ZINC000924551437 664657211 /nfs/dbraw/zinc/65/72/11/664657211.db2.gz LGEUTVUBRVVXQH-RDTXWAMCSA-N 1 0 387.977 2.592 20 0 GFADRO C[C@@H](C[C@@H]1CCC(=O)N1)[NH2+]Cc1nnc2c(Cl)cc(C(F)(F)F)cn12 ZINC000924623891 664659057 /nfs/dbraw/zinc/65/90/57/664659057.db2.gz OTQCJMQUOVXONA-WPRPVWTQSA-N 1 0 375.782 2.548 20 0 GFADRO CCN(CC)[C@@H](C[NH2+][C@H](C)C1CCN(S(C)(=O)=O)CC1)c1ccsc1 ZINC000924658304 664659185 /nfs/dbraw/zinc/65/91/85/664659185.db2.gz KPBNVFNQASQQCT-QAPCUYQASA-N 1 0 387.615 2.781 20 0 GFADRO C[C@H](C[C@H]1CCC(=O)N1)[NH2+]C[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000924801830 664662104 /nfs/dbraw/zinc/66/21/04/664662104.db2.gz FYHLZURPLXSGGY-IIAWOOMASA-N 1 0 380.330 2.922 20 0 GFADRO C[C@H](C[C@H]1CCC(=O)N1)[NH2+]C[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000924801833 664662131 /nfs/dbraw/zinc/66/21/31/664662131.db2.gz FYHLZURPLXSGGY-IJEWVQPXSA-N 1 0 380.330 2.922 20 0 GFADRO CN1C(=O)N([C@H]2CC[N@@H+](C3CC3)C2)C(=O)[C@@H]1c1ccc(Br)s1 ZINC000924884634 664663652 /nfs/dbraw/zinc/66/36/52/664663652.db2.gz CVSQIVFOJWFADC-GWCFXTLKSA-N 1 0 384.299 2.682 20 0 GFADRO C[NH+](C)C[C@@H]1NC(=O)N([C@H]2CCCSc3ccc(Br)cc32)C1=O ZINC000925016238 664665154 /nfs/dbraw/zinc/66/51/54/664665154.db2.gz OCSXXBMTTCXUEK-STQMWFEESA-N 1 0 398.326 2.858 20 0 GFADRO C[C@H]([NH2+]CCc1ccc(Br)cc1)C1CCN(S(C)(=O)=O)CC1 ZINC000925088964 664666597 /nfs/dbraw/zinc/66/65/97/664666597.db2.gz MTAQTXNEEASMHM-ZDUSSCGKSA-N 1 0 389.359 2.641 20 0 GFADRO O=C(Nc1nnc(-c2ccsc2)s1)N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000925148317 664667517 /nfs/dbraw/zinc/66/75/17/664667517.db2.gz LYUKLUKHOAULSX-NWDGAFQWSA-N 1 0 381.552 2.968 20 0 GFADRO C[C@@H]1[C@@H](NC(=O)N2CCCC[C@H]2c2ncc(Br)cn2)CC[N@@H+]1C ZINC000925348632 664670713 /nfs/dbraw/zinc/67/07/13/664670713.db2.gz QDGFPIGHCZCYQZ-XBFCOCLRSA-N 1 0 382.306 2.568 20 0 GFADRO C[C@H]([NH2+]Cc1ccc(Br)cc1N1CCOCC1)c1ccnnc1 ZINC000925567933 664673101 /nfs/dbraw/zinc/67/31/01/664673101.db2.gz RVDRHOGGQNUXRU-ZDUSSCGKSA-N 1 0 377.286 2.927 20 0 GFADRO Brc1cncc(Br)c1CN[C@@H]1CC[NH2+]C12CCC2 ZINC000925677966 664673966 /nfs/dbraw/zinc/67/39/66/664673966.db2.gz BBTTUGHFLOUAQP-GFCCVEGCSA-N 1 0 375.108 2.981 20 0 GFADRO Cc1nc(-c2ccccc2)sc1[C@@H](C)[NH2+]CC[C@@H]1CNCCS1(=O)=O ZINC000925791314 664674715 /nfs/dbraw/zinc/67/47/15/664674715.db2.gz FGOMTHPLOHLJBC-CZUORRHYSA-N 1 0 379.551 2.546 20 0 GFADRO O=S1(=O)CCNC[C@@H]1CC[NH2+][C@@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000925790961 664674726 /nfs/dbraw/zinc/67/47/26/664674726.db2.gz CXEHRGKGMTXAFS-JKSUJKDBSA-N 1 0 376.444 2.523 20 0 GFADRO C[C@H]([NH2+]CC[C@@H]1CNCCS1(=O)=O)c1ccc(-c2ccc(F)cc2)s1 ZINC000925801264 664675041 /nfs/dbraw/zinc/67/50/41/664675041.db2.gz XKTIXTYRABFLQR-XJKSGUPXSA-N 1 0 382.526 2.982 20 0 GFADRO [NH3+][C@@H]1CC[C@H](CNC(=O)Nc2cc(F)c(F)cc2I)C1 ZINC000926046462 664679955 /nfs/dbraw/zinc/67/99/55/664679955.db2.gz ONBGBYUSNZSYAU-JGVFFNPUSA-N 1 0 395.191 2.818 20 0 GFADRO COC(=O)c1cc(Cl)ccc1NC(=O)N1CC[C@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000926079153 664681131 /nfs/dbraw/zinc/68/11/31/664681131.db2.gz OEWNCFRHIDMBPP-QWRGUYRKSA-N 1 0 379.766 2.870 20 0 GFADRO O=C(Nc1ccc(Br)c2ccccc12)N1CCNCC[NH2+]CC1 ZINC000926082409 664681242 /nfs/dbraw/zinc/68/12/42/664681242.db2.gz JFNXBJHBLVGRNC-UHFFFAOYSA-N 1 0 377.286 2.629 20 0 GFADRO Cc1nc(NC(=O)N2CC[C@H](C(F)(F)F)[C@H]([NH3+])C2)ccc1Br ZINC000926091706 664681418 /nfs/dbraw/zinc/68/14/18/664681418.db2.gz QOFMPWPJQWDKGG-WCBMZHEXSA-N 1 0 381.196 2.896 20 0 GFADRO O=C(Nc1ccc(Br)c(Cl)c1Cl)N1CCNCC[NH2+]CC1 ZINC000926092988 664681576 /nfs/dbraw/zinc/68/15/76/664681576.db2.gz KQNNCOAPCQUHHQ-UHFFFAOYSA-N 1 0 396.116 2.783 20 0 GFADRO COC(=O)c1cccc(NC(=O)N2CC[C@@H](C[NH3+])[C@@H](C)C2)c1Br ZINC000926104159 664681741 /nfs/dbraw/zinc/68/17/41/664681741.db2.gz FBSFZNNKPQFSTR-QWRGUYRKSA-N 1 0 384.274 2.684 20 0 GFADRO C[C@H]1CN(C(=O)Nc2ccc3nccnc3c2Br)CC[C@H]1C[NH3+] ZINC000926118168 664682183 /nfs/dbraw/zinc/68/21/83/664682183.db2.gz ZCELKSCTOBWSSF-QWRGUYRKSA-N 1 0 378.274 2.841 20 0 GFADRO Cc1cnc(Br)c(NC(=O)N2CC[C@@H](C(F)(F)F)[C@H]([NH3+])C2)c1 ZINC000926123454 664682222 /nfs/dbraw/zinc/68/22/22/664682222.db2.gz OLAMYQDRXIXISQ-RKDXNWHRSA-N 1 0 381.196 2.896 20 0 GFADRO Cc1csc([C@H](NC(=O)N2CC[C@H](C(F)(F)F)[C@@H]([NH3+])C2)C(F)(F)F)n1 ZINC000926130202 664682336 /nfs/dbraw/zinc/68/23/36/664682336.db2.gz MASQQCLQJGLJIA-CIUDSAMLSA-N 1 0 390.353 2.976 20 0 GFADRO C[NH2+]CCN(C(=O)Nc1ccc(I)cc1OC)C(C)C ZINC000926131931 664682530 /nfs/dbraw/zinc/68/25/30/664682530.db2.gz IAVTVMUDWKYRPX-UHFFFAOYSA-N 1 0 391.253 2.762 20 0 GFADRO [NH3+][C@@H]1CN(C(=O)Nc2ncc(C3CCOCC3)s2)CC[C@@H]1C(F)(F)F ZINC000926134305 664682637 /nfs/dbraw/zinc/68/26/37/664682637.db2.gz XDZNWDGCKBJOGH-WDEREUQCSA-N 1 0 378.420 2.781 20 0 GFADRO CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NC(=O)c1cscc1C(F)(F)F)C2 ZINC000926138762 664682809 /nfs/dbraw/zinc/68/28/09/664682809.db2.gz UZZQJEWIOXGJTQ-HGTKMLMNSA-N 1 0 376.444 2.976 20 0 GFADRO CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)c1ccc(C(F)(F)F)s1)C2 ZINC000926149412 664682899 /nfs/dbraw/zinc/68/28/99/664682899.db2.gz AQJHRTKVCJYMCW-JDOCFBBISA-N 1 0 376.444 2.976 20 0 GFADRO [NH3+]CC[C@H](NC(=O)N1CCC(c2nc3c(s2)CCC3)CC1)C(F)(F)F ZINC000926169235 664683650 /nfs/dbraw/zinc/68/36/50/664683650.db2.gz IXNJAMHYLMUSRV-ZDUSSCGKSA-N 1 0 376.448 2.801 20 0 GFADRO [NH3+]Cc1cccnc1NC(=O)N1CCCC[C@H]1c1ncc(Br)cn1 ZINC000926169495 664683658 /nfs/dbraw/zinc/68/36/58/664683658.db2.gz JQXSARRZTMBXRH-ZDUSSCGKSA-N 1 0 391.273 2.852 20 0 GFADRO O=C(Nc1ccc([C@@H]2C[NH2+]CCO2)cc1)N1CCS[C@@H](C(F)(F)F)C1 ZINC000926176995 664684078 /nfs/dbraw/zinc/68/40/78/664684078.db2.gz CNPDWPPZCCQOKG-UONOGXRCSA-N 1 0 375.416 2.859 20 0 GFADRO [NH3+][C@@H]1C[C@H]1c1ccc(NC(=O)NCC2(n3cc(Br)cn3)CC2)cc1 ZINC000926186685 664684332 /nfs/dbraw/zinc/68/43/32/664684332.db2.gz RMJYMMARZNNVPI-LSDHHAIUSA-N 1 0 390.285 2.771 20 0 GFADRO C[C@@H]([NH2+][C@H]1CCCc2sccc21)c1ccc(S(=O)(=O)CC(N)=O)cc1 ZINC000926187720 664684420 /nfs/dbraw/zinc/68/44/20/664684420.db2.gz CYWCRNCXHABLRW-WBMJQRKESA-N 1 0 378.519 2.735 20 0 GFADRO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NC(=O)c3occc3Br)C2)[C@H]1C(C)C ZINC000926245866 664685323 /nfs/dbraw/zinc/68/53/23/664685323.db2.gz AZIBEYJGYNOVBL-SMKXDYDZSA-N 1 0 385.302 2.642 20 0 GFADRO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NC(=O)c3cc(Cl)nc(Cl)c3)C2)[C@H]1C(C)C ZINC000926262652 664685760 /nfs/dbraw/zinc/68/57/60/664685760.db2.gz QBHZMTOVAZRFMV-FAELENHSSA-N 1 0 386.323 2.988 20 0 GFADRO Cn1cc(C[C@H]2CCC[C@@H]2[NH2+]Cc2ccc(S(C)(=O)=O)c(Cl)c2)cn1 ZINC000926280243 664686075 /nfs/dbraw/zinc/68/60/75/664686075.db2.gz ANLNFXIETDUPGV-WBVHZDCISA-N 1 0 381.929 2.978 20 0 GFADRO O=S(=O)(NCC[NH2+][C@H](C1CC1)[C@H]1CCCOC1)c1ccc(Cl)cc1F ZINC000926356117 664688673 /nfs/dbraw/zinc/68/86/73/664688673.db2.gz FTUCONKPGMDJHN-SUMWQHHRSA-N 1 0 390.908 2.552 20 0 GFADRO C[C@H]([NH2+]CCNS(=O)(=O)c1cccc(Cl)c1Cl)c1cc[nH]c(=O)c1 ZINC000926409243 664689574 /nfs/dbraw/zinc/68/95/74/664689574.db2.gz KSOBPQDHZOPFEJ-JTQLQIEISA-N 1 0 390.292 2.723 20 0 GFADRO COc1ccc(CN2CC[C@H]([NH2+][C@@H](C)C3(Br)CC3)C2=O)c(OC)c1 ZINC000926422198 664689897 /nfs/dbraw/zinc/68/98/97/664689897.db2.gz DCRVGWDIJQYSIC-WFASDCNBSA-N 1 0 397.313 2.710 20 0 GFADRO COCCOC1(C[NH2+][C@@H](C)c2nc(Br)ccc2F)CCOCC1 ZINC000926502590 664690814 /nfs/dbraw/zinc/69/08/14/664690814.db2.gz UKCMYKAXVIPHKQ-LBPRGKRZSA-N 1 0 391.281 2.846 20 0 GFADRO COc1cc([C@@H](C)[NH2+]C[C@H](CO)Cc2cc(Br)ccc2OC)on1 ZINC000926542576 664692031 /nfs/dbraw/zinc/69/20/31/664692031.db2.gz NWHWRGJQEKACGE-VXGBXAGGSA-N 1 0 399.285 2.956 20 0 GFADRO C[C@@H]([NH2+]CC(C)(C)[C@H]1COCC12OCCO2)c1cccc(Br)n1 ZINC000926570214 664692670 /nfs/dbraw/zinc/69/26/70/664692670.db2.gz MVXCFLQBVKBUBY-TZMCWYRMSA-N 1 0 385.302 2.910 20 0 GFADRO O=C1NCC2(CCOCC2)[C@H]1[NH2+]CC/C=C\c1ccc(Br)cc1 ZINC000926744228 664696155 /nfs/dbraw/zinc/69/61/55/664696155.db2.gz DIVYKXYOLCELMG-SWQCVOCJSA-N 1 0 379.298 2.737 20 0 GFADRO CN1CC[C@@H]([NH2+]C2CC(CC(N)=O)C2)C[C@@H]1c1ccc(Br)cc1 ZINC000926885991 664698482 /nfs/dbraw/zinc/69/84/82/664698482.db2.gz CFFIFLJRJXMKMQ-SHXOLCEUSA-N 1 0 380.330 2.828 20 0 GFADRO CC[C@H]([NH2+]CCc1cc(C)n(C)n1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000926910066 664698895 /nfs/dbraw/zinc/69/88/95/664698895.db2.gz JDUQYIIVTRZFLS-INIZCTEOSA-N 1 0 384.933 2.573 20 0 GFADRO C[C@@H]([NH2+]C[C@@H]1C=C[C@H]2C[C@@H]1CO2)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000926935299 664699260 /nfs/dbraw/zinc/69/92/60/664699260.db2.gz KLQRGWLNHVSFRE-KXNHARMFSA-N 1 0 391.320 2.883 20 0 GFADRO CCO[C@H](CN[C@@H](c1ccc(Br)cc1)c1cncnc1)C[NH+](C)C ZINC000926958921 664699498 /nfs/dbraw/zinc/69/94/98/664699498.db2.gz IOINSAGKWKVCOI-MSOLQXFVSA-N 1 0 393.329 2.885 20 0 GFADRO COc1cc([C@H](C)[NH2+]CC[C@@H](N(C)C)C(F)(F)F)ccc1S(C)(=O)=O ZINC000926963274 664699515 /nfs/dbraw/zinc/69/95/15/664699515.db2.gz NUHONQISFLEUGM-XHDPSFHLSA-N 1 0 382.448 2.632 20 0 GFADRO C[C@@H](CS(=O)(=O)c1ccccc1)[NH2+]CC1(n2cc(Br)cn2)CC1 ZINC000927008899 664702226 /nfs/dbraw/zinc/70/22/26/664702226.db2.gz VPEOJOBIZLELDG-ZDUSSCGKSA-N 1 0 398.326 2.587 20 0 GFADRO CS(=O)(=O)C[C@H](O)C[NH2+][C@@H](Cc1ccc(F)cc1)c1ccccc1Cl ZINC000927034759 664702662 /nfs/dbraw/zinc/70/26/62/664702662.db2.gz XIKTVMIMCNUJLI-QAPCUYQASA-N 1 0 385.888 2.758 20 0 GFADRO Cn1nnc2c1C[C@H]([NH2+][C@H](c1cccc(Br)c1)[C@@H]1CCOC1)CC2 ZINC000927143691 664705156 /nfs/dbraw/zinc/70/51/56/664705156.db2.gz PDJIARSIMFWGRU-DDUZABMNSA-N 1 0 391.313 2.802 20 0 GFADRO Cc1c(NC(=O)C(=O)N[C@H](C)CC[NH3+])cc(Br)cc1C(F)(F)F ZINC000927794832 664716063 /nfs/dbraw/zinc/71/60/63/664716063.db2.gz KYYTWVKHWTZKHV-SSDOTTSWSA-N 1 0 396.207 2.568 20 0 GFADRO Cc1ccc(-c2csc(NC(=O)C(=O)N3C[C@@H](C)[C@H](CC[NH3+])C3)n2)s1 ZINC000927827580 664716319 /nfs/dbraw/zinc/71/63/19/664716319.db2.gz NINCXAKKCUEHSX-ZYHUDNBSSA-N 1 0 378.523 2.562 20 0 GFADRO Cc1nc(CC(F)(F)F)sc1CC(=O)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000928103142 664723172 /nfs/dbraw/zinc/72/31/72/664723172.db2.gz PWUSVWIHCVFTRA-RYUDHWBXSA-N 1 0 393.500 2.795 20 0 GFADRO C[C@H]1[C@H](NC(=O)c2c(Cl)ccc(I)c2F)CC[N@@H+]1C ZINC000928425203 664732363 /nfs/dbraw/zinc/73/23/63/664732363.db2.gz HLCCCUWBNRYUEL-OIBJUYFYSA-N 1 0 396.631 2.906 20 0 GFADRO Cc1c(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2C)cnn1-c1cccc(Br)c1 ZINC000928436750 664732373 /nfs/dbraw/zinc/73/23/73/664732373.db2.gz ACAWQFDNHOHZAO-MLGOLLRUSA-N 1 0 377.286 2.766 20 0 GFADRO C[C@H]1[C@H](NC(=O)c2nn(-c3ccc(F)cc3)cc2Br)CC[N@@H+]1C ZINC000928440099 664732603 /nfs/dbraw/zinc/73/26/03/664732603.db2.gz ASULTPLORFGPRD-IINYFYTJSA-N 1 0 381.249 2.596 20 0 GFADRO O=C(NCC(F)(F)F)C1CC[NH+](C[C@@H]2CCC[C@@H](C(F)(F)F)O2)CC1 ZINC000929166936 664747484 /nfs/dbraw/zinc/74/74/84/664747484.db2.gz XDGRFEMHPDSERE-RYUDHWBXSA-N 1 0 376.341 2.877 20 0 GFADRO CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C[C@@H](O)CCC1(O)CCC1 ZINC000929247581 664748835 /nfs/dbraw/zinc/74/88/35/664748835.db2.gz SVUOKGRFDRPNMF-ZDUSSCGKSA-N 1 0 375.296 2.920 20 0 GFADRO CC[NH+]1CCN(c2ccc(NC(=O)c3ncc(Br)cn3)cc2)CC1 ZINC000929395851 664751717 /nfs/dbraw/zinc/75/17/17/664751717.db2.gz JXTCBOUVTXIGGP-UHFFFAOYSA-N 1 0 390.285 2.633 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)c1cc(=O)[nH]cc1Br)c1cccc(F)c1 ZINC000929466244 664752978 /nfs/dbraw/zinc/75/29/78/664752978.db2.gz BBGJIJREQAIAHT-CQSZACIVSA-N 1 0 382.233 2.722 20 0 GFADRO C[C@@](O)(C(=O)NC1CC[NH+](C2CC2)CC1)c1ccc(F)c(Br)c1 ZINC000929618254 664754862 /nfs/dbraw/zinc/75/48/62/664754862.db2.gz OUUQXKUCWBZWIR-KRWDZBQOSA-N 1 0 385.277 2.539 20 0 GFADRO Nc1nc(Br)ccc1CN1CCC(OC[C@H]2CCCCO2)CC1 ZINC000929802806 664757887 /nfs/dbraw/zinc/75/78/87/664757887.db2.gz LBZAUHSNEZBEMU-OAHLLOKOSA-N 1 0 384.318 2.976 20 0 GFADRO O[C@@H](C[NH2+]C1(c2cccc(Br)c2)CCOCC1)C1(O)CCCC1 ZINC000929895085 664759286 /nfs/dbraw/zinc/75/92/86/664759286.db2.gz NWOOYBMLSMQLQL-INIZCTEOSA-N 1 0 384.314 2.710 20 0 GFADRO Cc1cc([C@@H]2CCC[N@@H+]2C[C@@H](O)C[C@]2(O)CCOC2)ccc1Br ZINC000930303567 664766489 /nfs/dbraw/zinc/76/64/89/664766489.db2.gz CFSXECSJLORHNJ-RYQLBKOJSA-N 1 0 384.314 2.797 20 0 GFADRO O[C@H](C[NH+]1CCC(c2cccc(Br)c2)CC1)C[C@]1(O)CCOC1 ZINC000930314799 664766903 /nfs/dbraw/zinc/76/69/03/664766903.db2.gz HPZKJXPQDCRBPU-ZWKOTPCHSA-N 1 0 384.314 2.531 20 0 GFADRO Brc1ccc(C[N@H+](CCn2ccnc2)C[C@@H]2CCC3(COC3)O2)o1 ZINC000930447240 664770666 /nfs/dbraw/zinc/77/06/66/664770666.db2.gz WWZPRQNACNEWSR-HNNXBMFYSA-N 1 0 396.285 2.689 20 0 GFADRO Cc1ccc(NC(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@H]23)c(Br)n1 ZINC000930462666 664771127 /nfs/dbraw/zinc/77/11/27/664771127.db2.gz NHSDGQXSLFDXKC-DGCLKSJQSA-N 1 0 385.331 2.854 20 0 GFADRO C[C@@H]([NH2+]CCO[C@H]1CCOC1)c1ccc(Br)cc1OCCCO ZINC000930531889 664772383 /nfs/dbraw/zinc/77/23/83/664772383.db2.gz NXIFVIRLJBTZDX-HIFRSBDPSA-N 1 0 388.302 2.666 20 0 GFADRO COc1cc(Br)cc(NC(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)c1 ZINC000930604501 664774238 /nfs/dbraw/zinc/77/42/38/664774238.db2.gz GVESRHHQGHNOOM-JKSUJKDBSA-N 1 0 398.301 2.521 20 0 GFADRO C[C@@H]1CC[C@H](C(N)=O)[C@@H](C)[N@@H+]1Cc1nc(-c2cccc(Br)c2)no1 ZINC000930914801 664780853 /nfs/dbraw/zinc/78/08/53/664780853.db2.gz JFNQJMFBXLASAC-GYSYKLTISA-N 1 0 393.285 2.973 20 0 GFADRO C[N@@H+]1CC[C@H]1CNC(=O)Nc1ccnn1Cc1ccccc1Br ZINC000930947366 664781776 /nfs/dbraw/zinc/78/17/76/664781776.db2.gz LJXYVYOUHDLIFS-ZDUSSCGKSA-N 1 0 378.274 2.520 20 0 GFADRO COC(=O)c1cc(Br)c(C[N@@H+]2CC[C@@H]3COC[C@H]3C2)cc1OC ZINC000931058937 664784190 /nfs/dbraw/zinc/78/41/90/664784190.db2.gz GNWSYTUZZISVEK-DGCLKSJQSA-N 1 0 384.270 2.713 20 0 GFADRO COC(=O)c1cccc(NC(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)c1Br ZINC000931085992 664785071 /nfs/dbraw/zinc/78/50/71/664785071.db2.gz DJPQZJGPWDDPGQ-QMTHXVAHSA-N 1 0 396.285 2.840 20 0 GFADRO O=C(Nc1ccc(-c2nncs2)cc1)N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000931240837 664789134 /nfs/dbraw/zinc/78/91/34/664789134.db2.gz LRLITFHAKGNZCD-LSDHHAIUSA-N 1 0 375.523 2.906 20 0 GFADRO Cc1cc(Br)ccc1[C@@H]1CCC[N@@H+]1C[C@H](O)C1(O)CCOCC1 ZINC000931260926 664789668 /nfs/dbraw/zinc/78/96/68/664789668.db2.gz HPVYLDZHAAIPBD-IRXDYDNUSA-N 1 0 384.314 2.797 20 0 GFADRO C(CN1C[C@@H]2C[C@H]1C[N@@H+]2CCOC1CCSCC1)OC1CCSCC1 ZINC000931479196 664795997 /nfs/dbraw/zinc/79/59/97/664795997.db2.gz MWJLEIZIVHUZPP-IRXDYDNUSA-N 1 0 386.627 2.569 20 0 GFADRO Cc1c(Br)nccc1NC(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000931548373 664798095 /nfs/dbraw/zinc/79/80/95/664798095.db2.gz GXIPHTAFMWGOSQ-CHWSQXEVSA-N 1 0 385.331 2.854 20 0 GFADRO Cc1nn(C)c(NC(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)c1Br ZINC000931577645 664799459 /nfs/dbraw/zinc/79/94/59/664799459.db2.gz ZNXIGYOMKYCNIS-CYBMUJFWSA-N 1 0 384.322 2.687 20 0 GFADRO C[NH+](C)[C@H]1CCCN(C(=O)c2cc3ccc(Br)cc3c(=O)o2)C1 ZINC000931692025 664802903 /nfs/dbraw/zinc/80/29/03/664802903.db2.gz IGMAFYDGABAPIE-ZDUSSCGKSA-N 1 0 379.254 2.722 20 0 GFADRO O[C@H](C[NH2+]C1(c2cc(Cl)cc(Br)c2)CC1)C[C@]1(O)CCOC1 ZINC000931697804 664803065 /nfs/dbraw/zinc/80/30/65/664803065.db2.gz NOLGTVZCBIYERU-LSDHHAIUSA-N 1 0 390.705 2.584 20 0 GFADRO CS(=O)(=O)N1CC(C[NH2+]C2(c3cc(Cl)cc(Br)c3)CC2)C1 ZINC000931697842 664803077 /nfs/dbraw/zinc/80/30/77/664803077.db2.gz OMQDDMCAWDTFEE-UHFFFAOYSA-N 1 0 393.734 2.573 20 0 GFADRO CC[N@H+](CCNC(=O)c1cnn(Cc2ccccc2)c1Br)C1CC1 ZINC000931836161 664805865 /nfs/dbraw/zinc/80/58/65/664805865.db2.gz VWFZDMIVJWJBAU-UHFFFAOYSA-N 1 0 391.313 2.908 20 0 GFADRO Cc1nc([C@H]2CCN([C@H]3CCc4cc(Br)ccc4NC3=O)C2)no1 ZINC000931934623 664807435 /nfs/dbraw/zinc/80/74/35/664807435.db2.gz BKKJWQCKGZIXJN-WFASDCNBSA-N 1 0 391.269 2.883 20 0 GFADRO COC1CC[NH+](C2(CNC(=O)c3c(C)[nH]nc3Br)CCCC2)CC1 ZINC000932262688 664817464 /nfs/dbraw/zinc/81/74/64/664817464.db2.gz ZNELIMJZRQADMB-UHFFFAOYSA-N 1 0 399.333 2.634 20 0 GFADRO CN(C(=O)c1cc2cc(Br)cnc2n1C)[C@@H]1C[NH+]2CCC1CC2 ZINC000932539876 664824884 /nfs/dbraw/zinc/82/48/84/664824884.db2.gz QNPZPPGBLAZRDH-OAHLLOKOSA-N 1 0 377.286 2.502 20 0 GFADRO COC(=O)Cn1cc(CC[NH2+][C@H](C)c2cc(Cl)cc(Cl)c2F)nn1 ZINC000932568231 664829124 /nfs/dbraw/zinc/82/91/24/664829124.db2.gz QUASJXLTWNZLSF-SECBINFHSA-N 1 0 375.231 2.790 20 0 GFADRO C[NH+](C)CCOC1CCN(C(=O)c2cc(F)cc(Br)c2F)CC1 ZINC000932679450 664831839 /nfs/dbraw/zinc/83/18/39/664831839.db2.gz YFDSIHVUPHGFLQ-UHFFFAOYSA-N 1 0 391.256 2.910 20 0 GFADRO CCCC[N@H+](C)CC1CCN(C(=O)c2cc(=O)n(C)cc2Br)CC1 ZINC000932702640 664832255 /nfs/dbraw/zinc/83/22/55/664832255.db2.gz WYNCCZRVDLUATH-UHFFFAOYSA-N 1 0 398.345 2.732 20 0 GFADRO Cc1c(I)ccc(NC(=O)NC[C@H]2CC[N@@H+](C)C2)c1C ZINC000932722925 664833299 /nfs/dbraw/zinc/83/32/99/664833299.db2.gz IASSWXVUIALEIX-GFCCVEGCSA-N 1 0 387.265 2.981 20 0 GFADRO O=C(C[C@H]1C(=O)Nc2c1cccc2Br)N1CC[NH+](C2CCC2)CC1 ZINC000932763030 664835214 /nfs/dbraw/zinc/83/52/14/664835214.db2.gz ZOUFHWCWOJQUQQ-CQSZACIVSA-N 1 0 392.297 2.572 20 0 GFADRO C[C@](O)(C[C@@H](O)C[N@@H+]1CCC[C@@](O)(c2ccc(Br)cc2)C1)C1CC1 ZINC000932813622 664839724 /nfs/dbraw/zinc/83/97/24/664839724.db2.gz ADXXQCRAKFKIOI-QYZOEREBSA-N 1 0 398.341 2.645 20 0 GFADRO O=C1O[C@@H](C[N@H+]2CCC[C@@](O)(c3ccc(Br)cc3)C2)CC12CC2 ZINC000932814165 664839735 /nfs/dbraw/zinc/83/97/35/664839735.db2.gz CJBPBGVQVTUUPU-QAPCUYQASA-N 1 0 380.282 2.828 20 0 GFADRO O=C(CC[N@H+]1CCC[C@@](O)(c2ccc(Br)cc2)C1)N1CCCC1 ZINC000932816777 664840180 /nfs/dbraw/zinc/84/01/80/664840180.db2.gz ZFGFGDALJYBOQA-SFHVURJKSA-N 1 0 381.314 2.745 20 0 GFADRO COc1ccc(C[N@@H+]2CCC[C@@](O)(c3ccc(Br)cc3)C2)nn1 ZINC000932819873 664840352 /nfs/dbraw/zinc/84/03/52/664840352.db2.gz YNFVSRUIKJOEAL-KRWDZBQOSA-N 1 0 378.270 2.731 20 0 GFADRO COc1ncc(NC(=O)N[C@H](C)C2=CC[N@H+](C)CC2)c(C)c1Br ZINC000932951162 664844685 /nfs/dbraw/zinc/84/46/85/664844685.db2.gz GFMUXNYNCSHGHX-LLVKDONJSA-N 1 0 383.290 2.933 20 0 GFADRO O=C(CC[NH+]1CCC2(CC1)C[C@@H](O)CCO2)Nc1ccccc1Br ZINC000933059188 664848733 /nfs/dbraw/zinc/84/87/33/664848733.db2.gz CYYOPZYJOGJABU-AWEZNQCLSA-N 1 0 397.313 2.784 20 0 GFADRO O=C(C/C=C/c1ccc(Br)cc1)NCCC[NH+]1CCC(O)CC1 ZINC000933133790 664850515 /nfs/dbraw/zinc/85/05/15/664850515.db2.gz INQHANPCLPPJHX-HNQUOIGGSA-N 1 0 381.314 2.815 20 0 GFADRO OC[C@@H]([NH2+]C[C@@H](O)c1cc(Br)no1)c1ccccc1C(F)(F)F ZINC000933243285 664853404 /nfs/dbraw/zinc/85/34/04/664853404.db2.gz OGAXAERLABZDDG-GHMZBOCLSA-N 1 0 395.175 2.813 20 0 GFADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)Nc1c(F)ccc(Br)c1F ZINC000933286422 664854240 /nfs/dbraw/zinc/85/42/40/664854240.db2.gz BLCBTOHCTPCXKI-VHSXEESVSA-N 1 0 390.228 2.712 20 0 GFADRO Cc1ccc(Br)c2[nH]c(C(=O)N[C@@H](C)[C@@H]3C[N@H+](C)CCN3C)cc21 ZINC000933388155 664861592 /nfs/dbraw/zinc/86/15/92/664861592.db2.gz RDUINDQDUSGCMX-LRDDRELGSA-N 1 0 393.329 2.603 20 0 GFADRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C[C@@H]1C(=O)Nc2c1cccc2Br ZINC000933437279 664864036 /nfs/dbraw/zinc/86/40/36/664864036.db2.gz ZVSVGABKBLRTMA-OSAQELSMSA-N 1 0 394.313 2.674 20 0 GFADRO C[C@@H](NC(=O)C[C@@H]1C(=O)Nc2c1cccc2Br)C(C)(C)C[NH+](C)C ZINC000933463473 664865799 /nfs/dbraw/zinc/86/57/99/664865799.db2.gz LFZDPRBDQBZFHD-YPMHNXCESA-N 1 0 396.329 2.967 20 0 GFADRO O=C1NCCN1CC1CC[NH+](CCOc2ccccc2Br)CC1 ZINC000933585814 664869700 /nfs/dbraw/zinc/86/97/00/664869700.db2.gz OHKRQXHHGGYLQC-UHFFFAOYSA-N 1 0 382.302 2.565 20 0 GFADRO O=C(CC[N@@H+]1CCC[C@H]1C1OCCO1)Nc1ccc(Br)cc1F ZINC000933908281 664879927 /nfs/dbraw/zinc/87/99/27/664879927.db2.gz IRQACVAKASRAKX-AWEZNQCLSA-N 1 0 387.249 2.754 20 0 GFADRO O=C(CC[N@@H+]1CCCCCNC(=O)CC1)Nc1ccccc1Br ZINC000934157419 664890816 /nfs/dbraw/zinc/89/08/16/664890816.db2.gz MSHIKRLBWIGKKQ-UHFFFAOYSA-N 1 0 382.302 2.770 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C[C@H]2C(=O)Nc3ccc(Br)cc32)C1 ZINC000934192837 664891822 /nfs/dbraw/zinc/89/18/22/664891822.db2.gz CGLMOIVSGZEYFV-GZBFAFLISA-N 1 0 394.313 2.864 20 0 GFADRO C[C@H](Cc1cccnc1)[NH2+]CC(=O)Nc1cccc(I)c1 ZINC000934232236 664892928 /nfs/dbraw/zinc/89/29/28/664892928.db2.gz CLAFJOROXABCOS-GFCCVEGCSA-N 1 0 395.244 2.846 20 0 GFADRO COCCC[NH+]1CCC(NC(=O)Nc2cncc(Br)c2C)CC1 ZINC000934249268 664893876 /nfs/dbraw/zinc/89/38/76/664893876.db2.gz JFMCONUCYIUBOL-UHFFFAOYSA-N 1 0 385.306 2.775 20 0 GFADRO Cc1c(Br)cncc1NC(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000934253742 664894301 /nfs/dbraw/zinc/89/43/01/664894301.db2.gz XRERCBLOMYQTES-CQSZACIVSA-N 1 0 397.317 2.917 20 0 GFADRO O=C(CCC[N@H+]1CC[C@H]2[C@@H]1CCCN2CCO)c1ccc(Br)cc1 ZINC000934270576 664896562 /nfs/dbraw/zinc/89/65/62/664896562.db2.gz XAUAEAJWHCXGBR-ROUUACIJSA-N 1 0 395.341 2.943 20 0 GFADRO Cc1c(Br)cncc1NC(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000934273684 664897164 /nfs/dbraw/zinc/89/71/64/664897164.db2.gz IBBGHQXDUGIXKB-TZMCWYRMSA-N 1 0 385.331 2.854 20 0 GFADRO CC(C)Cc1ccc(C(=O)N(CCC[NH+](C)C)[C@@H]2CCS(=O)(=O)C2)s1 ZINC000934307569 664898059 /nfs/dbraw/zinc/89/80/59/664898059.db2.gz AFSQSFYMDKGTBE-OAHLLOKOSA-N 1 0 386.583 2.528 20 0 GFADRO CS(=O)(=O)c1ccc(OCCCN2CC[C@H](Cc3nccs3)C2)cc1 ZINC000934332491 664899700 /nfs/dbraw/zinc/89/97/00/664899700.db2.gz FRZLKHXENHJJFN-OAHLLOKOSA-N 1 0 380.535 2.880 20 0 GFADRO O=C(CC[NH2+][C@@H]1CCOC12CCOCC2)Nc1cccc(Br)c1 ZINC000934400011 664905568 /nfs/dbraw/zinc/90/55/68/664905568.db2.gz KXRJXRYIZWXOAR-OAHLLOKOSA-N 1 0 383.286 2.705 20 0 GFADRO C[C@](CO)([NH2+]CCC(=O)Nc1cccnc1)c1cccc(Br)c1 ZINC000934497713 664909481 /nfs/dbraw/zinc/90/94/81/664909481.db2.gz ZRGBRPIAHMTURM-QGZVFWFLSA-N 1 0 378.270 2.670 20 0 GFADRO Cc1[nH]nc(Br)c1C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000934786422 664921725 /nfs/dbraw/zinc/92/17/25/664921725.db2.gz ULGDFPBWQWXZMU-CQSZACIVSA-N 1 0 377.286 2.827 20 0 GFADRO Cc1ccc(Br)c(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)n1 ZINC000934915751 664930224 /nfs/dbraw/zinc/93/02/24/664930224.db2.gz ZYVARFNPTVNCNQ-HZPDHXFCSA-N 1 0 396.329 2.650 20 0 GFADRO O=C(c1ccc(Br)[nH]c1=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000935013267 664934020 /nfs/dbraw/zinc/93/40/20/664934020.db2.gz QWUUJHQOVADXAR-SMDDNHRTSA-N 1 0 380.286 2.639 20 0 GFADRO Cc1c(Br)ccc(F)c1C(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000935107307 664940097 /nfs/dbraw/zinc/94/00/97/664940097.db2.gz NHQRZCLOFIJDMA-UHFFFAOYSA-N 1 0 387.293 2.815 20 0 GFADRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)c1cnn2cccc(Br)c12 ZINC000935150661 664942758 /nfs/dbraw/zinc/94/27/58/664942758.db2.gz FQTDTXIJHCUHKU-GFCCVEGCSA-N 1 0 379.302 2.899 20 0 GFADRO CO[C@@H](c1ccc(Br)cc1)[C@H](C)NC(=O)COC1CC[NH+](C)CC1 ZINC000935233144 664947561 /nfs/dbraw/zinc/94/75/61/664947561.db2.gz MSBQLDPQSUEKAT-SCLBCKFNSA-N 1 0 399.329 2.752 20 0 GFADRO C[C@H](NC(=O)[C@](C)(O)c1ccc(F)c(Br)c1)C1=CC[N@H+](C)CC1 ZINC000935316573 664953452 /nfs/dbraw/zinc/95/34/52/664953452.db2.gz UMYLPTNIDHNWIP-APPDUMDISA-N 1 0 385.277 2.562 20 0 GFADRO C[C@@H]1C[N@H+](CCCNC(=O)c2cc(F)cc(Br)c2F)CCCO1 ZINC000935655376 664979109 /nfs/dbraw/zinc/97/91/09/664979109.db2.gz KMOYZTZKUDKOPC-LLVKDONJSA-N 1 0 391.256 2.958 20 0 GFADRO Cc1cc(C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)cnc1Br ZINC000935702582 664983082 /nfs/dbraw/zinc/98/30/82/664983082.db2.gz GEJDBVQOTVHHAR-UHFFFAOYSA-N 1 0 378.274 2.868 20 0 GFADRO Cc1c(Br)ccc(F)c1C(=O)N1C[C@@H](N2CCOCC2)C[C@H]1C ZINC000935930458 664999254 /nfs/dbraw/zinc/99/92/54/664999254.db2.gz AHYIBOLQFMYVIP-YPMHNXCESA-N 1 0 385.277 2.832 20 0 GFADRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1nc(Br)c2ccccn21 ZINC000935940683 665000233 /nfs/dbraw/zinc/00/02/33/665000233.db2.gz OYIOADOUCFBCKK-STQMWFEESA-N 1 0 377.286 2.796 20 0 GFADRO COC(=O)c1cc(NC(=O)COC2CC[NH+](C)CC2)c(C)cc1Br ZINC000935980309 665002417 /nfs/dbraw/zinc/00/24/17/665002417.db2.gz HOHIWAIJUTXRGD-UHFFFAOYSA-N 1 0 399.285 2.593 20 0 GFADRO Cc1ccc(Br)c2[nH]c(C(=O)N3CC[C@@H]([N@@H+]4CC[C@@H](O)C4)C3)cc21 ZINC000935985802 665002695 /nfs/dbraw/zinc/00/26/95/665002695.db2.gz QWNCCSYFAKSENN-CHWSQXEVSA-N 1 0 392.297 2.520 20 0 GFADRO O=C([C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)N1CC[C@H]2C[N@H+](C/C(Cl)=C/Cl)C[C@H]2CC1 ZINC000946684808 665009012 /nfs/dbraw/zinc/00/90/12/665009012.db2.gz QMTXSMSXQYYZLX-ZZXLJFEMSA-N 1 0 385.335 2.899 20 0 GFADRO Cc1csc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@H]2CCC[N@H+]2C)c1Cl ZINC000996748712 665033809 /nfs/dbraw/zinc/03/38/09/665033809.db2.gz ZVUQZHDLPOLBPD-RFGFWPKPSA-N 1 0 381.929 2.666 20 0 GFADRO C[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1sccc1Cl ZINC000998069806 665038745 /nfs/dbraw/zinc/03/87/45/665038745.db2.gz CZZWWVXMOVUPQN-UQOMUDLDSA-N 1 0 381.929 2.748 20 0 GFADRO CN(C(=O)c1cnc(Br)c(Br)c1)[C@@H]1CCC[N@H+](C)C1 ZINC000382361268 677406469 /nfs/dbraw/zinc/40/64/69/677406469.db2.gz JNDFTYPTOCOGCI-SNVBAGLBSA-N 1 0 391.107 2.773 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000120727694 677397857 /nfs/dbraw/zinc/39/78/57/677397857.db2.gz LDWHLVHETYQAEM-HIFRSBDPSA-N 1 0 396.329 2.946 20 0 GFADRO C[C@@H](NS(=O)(=O)c1cccnc1Cl)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000386366340 677407459 /nfs/dbraw/zinc/40/74/59/677407459.db2.gz RAIMLEKMBZIARO-ZBFHGGJFSA-N 1 0 379.913 2.924 20 0 GFADRO CCOC(=O)N1CCC([NH2+]C[C@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000392240288 677409819 /nfs/dbraw/zinc/40/98/19/677409819.db2.gz JNTNKDBDHYFWOK-AWEZNQCLSA-N 1 0 391.295 2.944 20 0 GFADRO CS(=O)(=O)c1ccc([C@@H](O)C[NH2+]Cc2csc(Br)c2)cc1 ZINC000397416973 677411600 /nfs/dbraw/zinc/41/16/00/677411600.db2.gz YCHGPTFYTKZDLZ-ZDUSSCGKSA-N 1 0 390.324 2.737 20 0 GFADRO CC[C@H](C)[N@H+](C)CCNc1cnn(CC(F)(F)F)c(=O)c1Br ZINC000390234896 677673084 /nfs/dbraw/zinc/67/30/84/677673084.db2.gz QFCWZPDSUVAFMU-VIFPVBQESA-N 1 0 385.228 2.710 20 0 GFADRO CCC[NH+]1CCC(NC(=O)C(=O)N(C)Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000580220499 677673869 /nfs/dbraw/zinc/67/38/69/677673869.db2.gz LWBHOOJTUREDQS-UHFFFAOYSA-N 1 0 386.323 2.942 20 0 GFADRO CCS(=O)(=O)c1cc(C(F)(F)N2CCC3(CC([NH3+])C3)CC2)cnc1Cl ZINC001164388547 718802585 /nfs/dbraw/zinc/80/25/85/718802585.db2.gz WQMQHBOCVJZXBF-UHFFFAOYSA-N 1 0 393.887 2.781 20 0 GFADRO CCOC(=O)C1CC[NH+](C2CCN(c3ccc4nc(C)n(C)c4n3)CC2)CC1 ZINC001164618505 719026571 /nfs/dbraw/zinc/02/65/71/719026571.db2.gz XTXUWCUYSRJJCX-UHFFFAOYSA-N 1 0 385.512 2.521 20 0 GFADRO CCOC(=O)C1CC[NH+](C2CCN(c3ncnc(Cl)c3OCC)CC2)CC1 ZINC001164618535 719028278 /nfs/dbraw/zinc/02/82/78/719028278.db2.gz YEHGKIHGSLSOHY-UHFFFAOYSA-N 1 0 396.919 2.773 20 0 GFADRO Cc1c(C)n(Cc2ccccc2)c2ncnc(N3C[C@H]4OCC[N@@H+](C)[C@H]4C3)c12 ZINC001164673837 719438723 /nfs/dbraw/zinc/43/87/23/719438723.db2.gz UVISFKVBFVMKJS-RBUKOAKNSA-N 1 0 377.492 2.616 20 0 GFADRO CCN(CC)Cc1nc2sc(C)c(C)c2c(N2C[C@H]3OCC[N@H+](C)[C@@H]3C2)n1 ZINC001164673190 719443860 /nfs/dbraw/zinc/44/38/60/719443860.db2.gz STRVFGMHRVVJBD-HZPDHXFCSA-N 1 0 389.569 2.669 20 0 GFADRO C[N@@H+]1CCO[C@@H]2CN(c3nc(-c4ccc(Cl)s4)nc4c3CCC4)C[C@H]21 ZINC001164670739 719464222 /nfs/dbraw/zinc/46/42/22/719464222.db2.gz YDMNOVDDQGOURQ-ZIAGYGMSSA-N 1 0 376.913 2.866 20 0 GFADRO CC(C)N(C)Cc1nn(-c2cc(Oc3ccccc3)ncn2)c2c1CC[NH2+]C2 ZINC001164682672 719610264 /nfs/dbraw/zinc/61/02/64/719610264.db2.gz FHFAMNGEHJDULY-UHFFFAOYSA-N 1 0 378.480 2.941 20 0 GFADRO CC(C)N(C)Cc1nn(-c2ncnc3sc4c(c32)CCC4)c2c1CC[NH2+]C2 ZINC001164679815 719638140 /nfs/dbraw/zinc/63/81/40/719638140.db2.gz OADNUJRPKJDMFJ-UHFFFAOYSA-N 1 0 382.537 2.852 20 0 GFADRO COc1cc2nc(-n3nc(CN(C)C(C)C)c4c3C[NH2+]CC4)ccc2c(OC)c1 ZINC001164680178 719650139 /nfs/dbraw/zinc/65/01/39/719650139.db2.gz RJNCGVSDFHCAJF-UHFFFAOYSA-N 1 0 395.507 2.924 20 0 GFADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1ccc(-c3cccc(Cl)c3)nn1)CC2 ZINC001164689575 719742643 /nfs/dbraw/zinc/74/26/43/719742643.db2.gz IGRWOSCCWPRBCU-UHFFFAOYSA-N 1 0 399.926 2.978 20 0 GFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1c[nH]c3ncnc(Cl)c13)C2 ZINC001164811655 720080539 /nfs/dbraw/zinc/08/05/39/720080539.db2.gz OSWMUGRVBGHBLZ-KUHUBIRLSA-N 1 0 375.904 2.748 20 0 GFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nnc(Cl)c3ccncc31)C2 ZINC001164810334 720082157 /nfs/dbraw/zinc/08/21/57/720082157.db2.gz KTSPXBMKPRMJRP-MGPUTAFESA-N 1 0 387.915 2.863 20 0 GFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nnc(Cl)c3ccncc31)C2 ZINC001164810336 720082291 /nfs/dbraw/zinc/08/22/91/720082291.db2.gz KTSPXBMKPRMJRP-YWZLYKJASA-N 1 0 387.915 2.863 20 0 GFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ncnc3nc(Cl)ccc31)C2 ZINC001164809781 720083121 /nfs/dbraw/zinc/08/31/21/720083121.db2.gz KGNOXMGEKGSUSL-FOIQADDNSA-N 1 0 387.915 2.863 20 0 GFADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(C)ncc1C)CC2 ZINC001164714199 720112812 /nfs/dbraw/zinc/11/28/12/720112812.db2.gz APJHGKPFCJAKOR-FQEVSTJZSA-N 1 0 381.524 2.996 20 0 GFADRO C=Cc1nc(Cl)nc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COC)c1OC ZINC001164815951 720158712 /nfs/dbraw/zinc/15/87/12/720158712.db2.gz JAFKIPNRPGIBRS-QRWLVFNGSA-N 1 0 392.931 2.966 20 0 GFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ncccc1-c1nc(C)no1)C2 ZINC001164817731 720171638 /nfs/dbraw/zinc/17/16/38/720171638.db2.gz PYRYMSAIIYEROZ-DYESRHJHSA-N 1 0 383.496 2.625 20 0 GFADRO Cc1ccnc(N2CCCn3c(=O)cc(C[N@@H+](C)C(C)C)nc3C2)c1Cl ZINC001164814009 720220273 /nfs/dbraw/zinc/22/02/73/720220273.db2.gz QXTUKXRBRCDSHU-UHFFFAOYSA-N 1 0 375.904 2.851 20 0 GFADRO Cc1cccc2ncc(N3CCCn4c(=O)cc(C[N@@H+](C)C(C)C)nc4C3)nc12 ZINC001164812130 720220567 /nfs/dbraw/zinc/22/05/67/720220567.db2.gz DWDVKHKNIXADQG-UHFFFAOYSA-N 1 0 392.507 2.745 20 0 GFADRO Cc1nc(C)c(N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c(Cl)n1 ZINC001164818945 720312539 /nfs/dbraw/zinc/31/25/39/720312539.db2.gz BWPGQFVMWQHNBW-IAGOWNOFSA-N 1 0 391.947 2.658 20 0 GFADRO COc1cnc(N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c(Cl)c1 ZINC001164834236 720328289 /nfs/dbraw/zinc/32/82/89/720328289.db2.gz YXZFBWCWJFCITC-MSOLQXFVSA-N 1 0 392.931 2.655 20 0 GFADRO O=C(c1cccnc1N1CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cccnc1)N1CCCC1 ZINC001164721183 720328502 /nfs/dbraw/zinc/32/85/02/720328502.db2.gz AZXUJYUNCWUELZ-WOJBJXKFSA-N 1 0 377.492 2.566 20 0 GFADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2ncc3cc(F)ccc3n2)CC1 ZINC001164832477 720330231 /nfs/dbraw/zinc/33/02/31/720330231.db2.gz UBAPQEHQVGQJNS-WOJBJXKFSA-N 1 0 397.498 2.680 20 0 GFADRO COc1nc(N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)ccc1Cl ZINC001164830095 720331539 /nfs/dbraw/zinc/33/15/39/720331539.db2.gz OMYQVAKXVKZZAX-SJORKVTESA-N 1 0 392.931 2.655 20 0 GFADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2ccc(-c3ccco3)nn2)CC1 ZINC001164821698 720344171 /nfs/dbraw/zinc/34/41/71/720344171.db2.gz BJLIGPCYRGSQRP-RTBURBONSA-N 1 0 395.507 2.648 20 0 GFADRO COC(=O)c1ccc2cnc(N3CC[C@@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)nc2c1 ZINC001164721611 720345208 /nfs/dbraw/zinc/34/52/08/720345208.db2.gz CLWORMQVFWSWGH-WOJBJXKFSA-N 1 0 389.459 2.665 20 0 GFADRO COC(=O)/C=C\c1cc(C)cnc1N1CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164732151 720419038 /nfs/dbraw/zinc/41/90/38/720419038.db2.gz NDTUOUVPSRASOT-SBUVDCAVSA-N 1 0 378.476 2.824 20 0 GFADRO COC(=O)CSc1cccc(N2CC[C@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)n1 ZINC001164732000 720421692 /nfs/dbraw/zinc/42/16/92/720421692.db2.gz MTILVGZMUFNQIK-IRXDYDNUSA-N 1 0 384.505 2.595 20 0 GFADRO CC1CCN(c2ccc(N3CC[C@@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)nn2)CC1 ZINC001164728723 720443792 /nfs/dbraw/zinc/44/37/92/720443792.db2.gz GGGUSLVQDUWVCE-UXHICEINSA-N 1 0 378.524 2.961 20 0 GFADRO COc1cc(OC)c2ncnc(N3CC[C@@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)c2c1 ZINC001164731891 720480494 /nfs/dbraw/zinc/48/04/94/720480494.db2.gz XZPBBHFIHSKVHP-MOPGFXCFSA-N 1 0 391.475 2.895 20 0 GFADRO CCOC(=O)c1ccc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)nc1 ZINC001164837857 720508260 /nfs/dbraw/zinc/50/82/60/720508260.db2.gz QANSJYFIWDICIG-VAMGGRTRSA-N 1 0 397.523 2.833 20 0 GFADRO COc1cccc2nc(Cl)nc(N3Cc4nccn4C[C@@H](C[NH+](C)C)C3)c21 ZINC001164732134 720516945 /nfs/dbraw/zinc/51/69/45/720516945.db2.gz YRAWEXMGKAQSNJ-CYBMUJFWSA-N 1 0 386.887 2.686 20 0 GFADRO CCOC(=O)c1cccc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)n1 ZINC001164838061 720528713 /nfs/dbraw/zinc/52/87/13/720528713.db2.gz NTERZMKTCWFIDC-NLWGTHIKSA-N 1 0 397.523 2.833 20 0 GFADRO COCc1cc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)nc(C)n1 ZINC001164842999 720533635 /nfs/dbraw/zinc/53/36/35/720533635.db2.gz ZMFBRKGOCPNLDN-DFQSSKMNSA-N 1 0 384.528 2.506 20 0 GFADRO COc1cnnc(Cl)c1N1CC[C@@H]2[C@H](C[C@@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164833916 720540778 /nfs/dbraw/zinc/54/07/78/720540778.db2.gz CCVPEQNUTBPKKN-OWCLPIDISA-N 1 0 390.919 2.713 20 0 GFADRO Clc1nc2ncccc2c(N2CCc3ncc(C[NH+]4CCCC4)n3CC2)n1 ZINC001164733069 720554563 /nfs/dbraw/zinc/55/45/63/720554563.db2.gz JASFIMJNBFOYLT-UHFFFAOYSA-N 1 0 383.887 2.533 20 0 GFADRO Nc1cc(Cl)ncc1C(F)(F)N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001164727846 720568116 /nfs/dbraw/zinc/56/81/16/720568116.db2.gz FUOCSHUETBDWNX-UHFFFAOYSA-N 1 0 396.873 2.717 20 0 GFADRO C[C@H]1CCCN(c2cc(N3CCc4ncc(C[NH+]5CCCC5)n4CC3)ncn2)C1 ZINC001164736662 720588000 /nfs/dbraw/zinc/58/80/00/720588000.db2.gz QJDIXBNMGIVYHV-SFHVURJKSA-N 1 0 395.555 2.568 20 0 GFADRO C[C@@H]1CCCN(c2cc(N3CCc4ncc(C[NH+]5CCCC5)n4CC3)ncn2)C1 ZINC001164736660 720588616 /nfs/dbraw/zinc/58/86/16/720588616.db2.gz QJDIXBNMGIVYHV-GOSISDBHSA-N 1 0 395.555 2.568 20 0 GFADRO COc1ccc2nc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)c(C)cc2c1 ZINC001164740936 720605750 /nfs/dbraw/zinc/60/57/50/720605750.db2.gz KRKPFCFZJQYQIC-HKUYNNGSSA-N 1 0 391.475 2.684 20 0 GFADRO CNC(=O)c1ccnc(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)c1 ZINC001164839567 720703715 /nfs/dbraw/zinc/70/37/15/720703715.db2.gz LYKCRWUBXDPSQQ-HXUWFJFHSA-N 1 0 394.519 2.701 20 0 GFADRO CC(C)(C)c1cc(Cl)nc(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)n1 ZINC001164740364 720745618 /nfs/dbraw/zinc/74/56/18/720745618.db2.gz KHGNTPLKLPWMCH-UONOGXRCSA-N 1 0 388.903 2.559 20 0 GFADRO Cc1cc(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)nc(-c2cccs2)n1 ZINC001164737486 720777356 /nfs/dbraw/zinc/77/73/56/720777356.db2.gz BWDCBRHNEQLBAS-CVEARBPZSA-N 1 0 394.504 2.645 20 0 GFADRO c1ncn(C[C@H]2C[C@H]3CN(c4nccc5ncccc54)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164749923 720814926 /nfs/dbraw/zinc/81/49/26/720814926.db2.gz UUCFNERPOWRGLC-WAOWUJCRSA-N 1 0 389.507 2.601 20 0 GFADRO Fc1cnc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c(Cl)c1 ZINC001164739189 720823444 /nfs/dbraw/zinc/82/34/44/720823444.db2.gz HOXDDMZOTVYJIB-YXJHDRRASA-N 1 0 390.894 2.845 20 0 GFADRO c1ncn(C[C@H]2C[C@@H]3CN(c4ccc5cccnc5n4)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164743308 720825568 /nfs/dbraw/zinc/82/55/68/720825568.db2.gz RZTLSSTXEVWGPQ-VAMGGRTRSA-N 1 0 389.507 2.601 20 0 GFADRO CC(C)(C)c1ccc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nn1 ZINC001164744569 720848582 /nfs/dbraw/zinc/84/85/82/720848582.db2.gz KQTNWBQLOZWJII-GUDVDZBRSA-N 1 0 395.555 2.745 20 0 GFADRO COCC[N@@H+]1CCO[C@@H]2CN(C(F)(F)c3cc(Cl)ncc3F)CC[C@H]2C1 ZINC001164853012 720854013 /nfs/dbraw/zinc/85/40/13/720854013.db2.gz GAUXFEJCPUMIFW-SWLSCSKDSA-N 1 0 393.837 2.593 20 0 GFADRO CSCc1ccnc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c1 ZINC001164749450 720855364 /nfs/dbraw/zinc/85/53/64/720855364.db2.gz NFDKDUSXAJYNFS-XUVXKRRUSA-N 1 0 398.580 2.916 20 0 GFADRO COCC[N@@H+]1CCO[C@H]2CN(c3nc(C)nc4c5ccccc5oc43)CC[C@H]2C1 ZINC001164856047 720864201 /nfs/dbraw/zinc/86/42/01/720864201.db2.gz NZNAJLGNQTTZON-LPHOPBHVSA-N 1 0 396.491 2.858 20 0 GFADRO COCC[N@@H+]1CCO[C@H]2CN(c3nc(C(C)C)nc(Cl)c3C)CC[C@H]2C1 ZINC001164855728 720886789 /nfs/dbraw/zinc/88/67/89/720886789.db2.gz HRRVVXVPUDUGGP-HOTGVXAUSA-N 1 0 382.936 2.735 20 0 GFADRO CCOC(=O)Cc1cccnc1N1CCn2c(C[N@H+](C)C(C)C)cnc2[C@@H]1C ZINC001164862243 720933988 /nfs/dbraw/zinc/93/39/88/720933988.db2.gz VGNPMODOQXTLGM-INIZCTEOSA-N 1 0 385.512 2.805 20 0 GFADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1nc(Cl)nc3c1ncn3C)[C@@H]2C ZINC001164857050 720949202 /nfs/dbraw/zinc/94/92/02/720949202.db2.gz GDIVSWHEBUBSON-GFCCVEGCSA-N 1 0 388.907 2.635 20 0 GFADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1ncc3ncnc(Cl)c3n1)[C@H]2C ZINC001164857213 720979315 /nfs/dbraw/zinc/97/93/15/720979315.db2.gz DMTPHSTWIFCERW-LBPRGKRZSA-N 1 0 386.891 2.691 20 0 GFADRO Clc1nc2ncccc2c(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164870910 721059728 /nfs/dbraw/zinc/05/97/28/721059728.db2.gz XJTWVPHIYBRKGZ-HOTGVXAUSA-N 1 0 396.882 2.553 20 0 GFADRO Clc1nc2cccnc2c(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164866105 721065229 /nfs/dbraw/zinc/06/52/29/721065229.db2.gz CUJYRGIWYGOTSW-CVEARBPZSA-N 1 0 396.882 2.553 20 0 GFADRO COc1ccc2cnc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)nc2c1 ZINC001164867919 721070917 /nfs/dbraw/zinc/07/09/17/721070917.db2.gz KYKNBROKDDCJRM-ICSRJNTNSA-N 1 0 391.475 2.513 20 0 GFADRO Clc1nc2cnccc2c(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164871938 721070960 /nfs/dbraw/zinc/07/09/60/721070960.db2.gz ZRKFEGNSBPMERX-JKSUJKDBSA-N 1 0 396.882 2.553 20 0 GFADRO COc1ccc2cnc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)nc2c1 ZINC001164867918 721071380 /nfs/dbraw/zinc/07/13/80/721071380.db2.gz KYKNBROKDDCJRM-AZUAARDMSA-N 1 0 391.475 2.513 20 0 GFADRO F[C@H](Oc1cccc(Cl)n1)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164865655 721089386 /nfs/dbraw/zinc/08/93/86/721089386.db2.gz OBWBCOMFVSSCDY-FCEWJHQRSA-N 1 0 392.862 2.737 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(C(F)(F)Oc4cccnc4Cl)C[C@@H]3C2)cn1 ZINC001164766522 721095474 /nfs/dbraw/zinc/09/54/74/721095474.db2.gz KSCZVPWCKSRECH-GJZGRUSLSA-N 1 0 397.857 2.852 20 0 GFADRO Cc1cc(C(F)(F)N2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@H]3C2)nc(Cl)n1 ZINC001164773807 721107160 /nfs/dbraw/zinc/10/71/60/721107160.db2.gz ZCSWKAFLSXPZKA-GJZGRUSLSA-N 1 0 396.873 2.675 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4cnc5c(Cl)cccc5n4)C[C@@H]3C2)cn1 ZINC001164772771 721108289 /nfs/dbraw/zinc/10/82/89/721108289.db2.gz WQLPGLCWQPWFKM-HOTGVXAUSA-N 1 0 382.899 2.975 20 0 GFADRO COC(OC)c1cc(C)cnc1N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164879503 721122909 /nfs/dbraw/zinc/12/29/09/721122909.db2.gz SVBUHUPPTOBCSI-OALUTQOASA-N 1 0 398.507 2.556 20 0 GFADRO CSc1cnc(Cl)nc1N1C[C@H]2CC[N@H+](Cc3cnn(C)c3)C[C@@H]2C1 ZINC001164764216 721141017 /nfs/dbraw/zinc/14/10/17/721141017.db2.gz HKSZDAXQMPIMLG-ZIAGYGMSSA-N 1 0 378.933 2.544 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(C(F)(F)c4cc(N)cc(Cl)n4)C[C@@H]3C2)cn1 ZINC001164762716 721152024 /nfs/dbraw/zinc/15/20/24/721152024.db2.gz DJYYDGHCIYJQDN-KBPBESRZSA-N 1 0 396.873 2.554 20 0 GFADRO COc1ccc2nc(N3C[C@@H]4CC[N@H+](Cc5cnn(C)c5)C[C@@H]4C3)nc(C)c2c1 ZINC001164771317 721152823 /nfs/dbraw/zinc/15/28/23/721152823.db2.gz RZSPLYBFUXQGJU-ZWKOTPCHSA-N 1 0 392.507 2.639 20 0 GFADRO Cc1cc(N2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@H]3C2)nc(-c2ccco2)n1 ZINC001164763284 721216255 /nfs/dbraw/zinc/21/62/55/721216255.db2.gz FDZIKARFNREQTL-ROUUACIJSA-N 1 0 378.480 2.737 20 0 GFADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cnc3cc[nH]c3n1)CC2 ZINC001164789413 721450084 /nfs/dbraw/zinc/45/00/84/721450084.db2.gz VOUIMGMRNZTISM-SFHVURJKSA-N 1 0 399.539 2.692 20 0 GFADRO COc1cnc(SC)nc1N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164896277 721514691 /nfs/dbraw/zinc/51/46/91/721514691.db2.gz ALCPTSUINASQLA-GDBMZVCRSA-N 1 0 390.484 2.688 20 0 GFADRO Fc1cccc(O[C@@H]2C[C@H]3CN(c4nc(Cl)nc(Cl)n4)CC[N@@H+]3C2)c1 ZINC001164897908 721523809 /nfs/dbraw/zinc/52/38/09/721523809.db2.gz GQZJNRXQEVVQMW-WCQYABFASA-N 1 0 384.242 2.659 20 0 GFADRO CC1(C)OC(=O)c2c1ccnc2N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164911359 721528804 /nfs/dbraw/zinc/52/88/04/721528804.db2.gz WIPDWHVUIPRQNC-WBVHZDCISA-N 1 0 397.450 2.968 20 0 GFADRO Fc1cccc(O[C@@H]2C[C@H]3CN(c4ccnc(N5CCCCC5)n4)CC[N@@H+]3C2)c1 ZINC001164906962 721551619 /nfs/dbraw/zinc/55/16/19/721551619.db2.gz LLCCYTGWQPMLQO-AZUAARDMSA-N 1 0 397.498 2.948 20 0 GFADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2cc(-c3ccc(F)cc3)ncn2)CC1 ZINC001165010876 721746060 /nfs/dbraw/zinc/74/60/60/721746060.db2.gz QAGJFWWQGMHYTC-UHFFFAOYSA-N 1 0 397.498 2.806 20 0 GFADRO CCNC(=O)c1cccnc1N1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165018800 721817366 /nfs/dbraw/zinc/81/73/66/721817366.db2.gz AGYOYZRETXOPSB-DZFGPLHGSA-N 1 0 393.535 2.963 20 0 GFADRO Cc1nc2nc(N3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)ncc2[nH]1 ZINC001165025465 721819097 /nfs/dbraw/zinc/81/90/97/721819097.db2.gz MVYMKQFWYQWITL-VDZJLULYSA-N 1 0 377.496 2.745 20 0 GFADRO Cc1cc(C(N)=O)cc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)n1 ZINC001165024512 721830180 /nfs/dbraw/zinc/83/01/80/721830180.db2.gz KJFKXWREQUKXOQ-FFZOFVMBSA-N 1 0 379.508 2.621 20 0 GFADRO c1cc(-c2cnc(N3CCCCC3)nc2)nc(N2CC[NH+](C3CCCC3)CC2)n1 ZINC001165029514 721857568 /nfs/dbraw/zinc/85/75/68/721857568.db2.gz ZYLUDBOEQFTWCX-UHFFFAOYSA-N 1 0 393.539 2.989 20 0 GFADRO CN(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2c1ncnc2[nH]c3ccc(Cl)cc3c21 ZINC001164924363 721876024 /nfs/dbraw/zinc/87/60/24/721876024.db2.gz LCZNKGIHLZEQOU-DLBZAZTESA-N 1 0 384.915 2.979 20 0 GFADRO CN(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCN2c1ncnc2[nH]c3ccc(Cl)cc3c21 ZINC001164924365 721876172 /nfs/dbraw/zinc/87/61/72/721876172.db2.gz LCZNKGIHLZEQOU-IRXDYDNUSA-N 1 0 384.915 2.979 20 0 GFADRO CC[C@H]1C(=O)N(C)c2cnc(N3CCC[C@H]([NH+](C)C)C3)nc2N1C1CCCC1 ZINC001165040311 721891103 /nfs/dbraw/zinc/89/11/03/721891103.db2.gz VJNFEEUHIQNVGD-IRXDYDNUSA-N 1 0 386.544 2.511 20 0 GFADRO c1cnn(Cc2ncn3c2CN(c2ccc(C[NH+]4CCCC4)cn2)CCC3)c1 ZINC001164937565 721915563 /nfs/dbraw/zinc/91/55/63/721915563.db2.gz CVJIRQUCWADPOD-UHFFFAOYSA-N 1 0 377.496 2.529 20 0 GFADRO COc1cc(OC)c2ncnc(N3CC[NH+](CCOc4ccccc4)CC3)c2c1 ZINC001165046704 721961781 /nfs/dbraw/zinc/96/17/81/721961781.db2.gz NCUTUBGFBUGLTD-UHFFFAOYSA-N 1 0 394.475 2.848 20 0 GFADRO CCOC(=O)N1CCc2nnc(N3CCCC[C@@H]3CC[NH+]3CCCC3)cc2C1 ZINC001165050599 721975879 /nfs/dbraw/zinc/97/58/79/721975879.db2.gz ZMKHNOFYDCDYLE-GOSISDBHSA-N 1 0 387.528 2.836 20 0 GFADRO COC[C@]12COC[C@H]1CN(C(F)(F)c1cnc(Cl)c(C3=CC[NH2+]CC3)c1)C2 ZINC001164949278 721996696 /nfs/dbraw/zinc/99/66/96/721996696.db2.gz DPCXWVWOIKQBNI-CRAIPNDOSA-N 1 0 399.869 2.756 20 0 GFADRO Clc1cc(-c2ccncc2)c(N2CC[NH+](CCc3ccccn3)CC2)nn1 ZINC001165054501 722009352 /nfs/dbraw/zinc/00/93/52/722009352.db2.gz ZVZMIZMDMIZDGT-UHFFFAOYSA-N 1 0 380.883 2.952 20 0 GFADRO CCc1ncnc(Cl)c1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164983872 722103743 /nfs/dbraw/zinc/10/37/43/722103743.db2.gz QVLDRQALFSGGOZ-AEFFLSMTSA-N 1 0 387.915 2.815 20 0 GFADRO Clc1ccc2nc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)[nH]c2n1 ZINC001164978874 722135082 /nfs/dbraw/zinc/13/50/82/722135082.db2.gz KFPUSJDQFTXKLT-DOTOQJQBSA-N 1 0 398.898 2.734 20 0 GFADRO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)Nc1nnc(-c2cccc(Br)c2)s1 ZINC000632933610 532650636 /nfs/dbraw/zinc/65/06/36/532650636.db2.gz BTDJMBRTACSYHW-LDYMZIIASA-N 1 0 382.287 2.921 20 0 GFADRO Cc1sc(Br)cc1S(=O)(=O)N1CCCC[C@@H]1C[NH+](C)C ZINC000405193454 563537793 /nfs/dbraw/zinc/53/77/93/563537793.db2.gz WKQMBHVTPOJCCB-LLVKDONJSA-N 1 0 381.361 2.924 20 0 GFADRO CC(C)COC(=O)N1CCC([NH2+]CCCn2cc(Br)cn2)CC1 ZINC000287349239 563597483 /nfs/dbraw/zinc/59/74/83/563597483.db2.gz NJDDQUDZYPYTMZ-UHFFFAOYSA-N 1 0 387.322 2.882 20 0 GFADRO C[C@H]([NH2+]C[C@H](O)COc1cc(F)cc(Br)c1)[C@H]1CCCOC1 ZINC000439453551 563725678 /nfs/dbraw/zinc/72/56/78/563725678.db2.gz KZWFUHDOSOZNJE-HUBLWGQQSA-N 1 0 376.266 2.733 20 0 GFADRO CC[N@@H+]1CCCC[C@@H]1CNS(=O)(=O)c1ccc(F)c(Br)c1 ZINC000439222607 563719685 /nfs/dbraw/zinc/71/96/85/563719685.db2.gz KUYMYJAMYXKMGA-LLVKDONJSA-N 1 0 379.295 2.741 20 0 GFADRO CC(C)[NH+]1CCC(N(C)S(=O)(=O)c2cccc(Br)c2)CC1 ZINC000040432045 551134237 /nfs/dbraw/zinc/13/42/37/551134237.db2.gz BQWJJTQVSJZYFI-UHFFFAOYSA-N 1 0 375.332 2.942 20 0 GFADRO CC(C)(C)[NH+]1CCC(NS(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000040446375 551134761 /nfs/dbraw/zinc/13/47/61/551134761.db2.gz YCWFWDUOEKNYSJ-UHFFFAOYSA-N 1 0 375.332 2.990 20 0 GFADRO CC(C)[C@H](CNC(=O)c1ccc(F)cc1Br)[NH+]1CCN(C)CC1 ZINC000042579792 551139727 /nfs/dbraw/zinc/13/97/27/551139727.db2.gz WGRQZAFYYPVGME-INIZCTEOSA-N 1 0 386.309 2.590 20 0 GFADRO CC[NH+]1CCN(CCNC(=O)COc2cc(Cl)c(Cl)cc2Cl)CC1 ZINC000042591648 551139757 /nfs/dbraw/zinc/13/97/57/551139757.db2.gz YRRFDDWEZURKBP-UHFFFAOYSA-N 1 0 394.730 2.779 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)NC[C@H]1CCN(CC(F)(F)F)C1)c1cccs1 ZINC000043143724 551140967 /nfs/dbraw/zinc/14/09/67/551140967.db2.gz MNDXGEAQPOBKCG-OLZOCXBDSA-N 1 0 378.464 2.534 20 0 GFADRO O=S(=O)(c1ccc(C[NH2+]Cc2ccc(Cl)s2)cc1)N1CCOCC1 ZINC000053099056 551165828 /nfs/dbraw/zinc/16/58/28/551165828.db2.gz ADDRGYYINICAFS-UHFFFAOYSA-N 1 0 386.926 2.712 20 0 GFADRO C[NH+]1CCN(c2ccc(NC(=O)c3sccc3Br)nc2)CC1 ZINC000053746012 551168010 /nfs/dbraw/zinc/16/80/10/551168010.db2.gz RZKHXMOEFXBPEJ-UHFFFAOYSA-N 1 0 381.299 2.910 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)NCCN1CCc2sccc2C1)c1cccs1 ZINC000054539936 551169298 /nfs/dbraw/zinc/16/92/98/551169298.db2.gz OUIYTGYCMCUAFG-OAHLLOKOSA-N 1 0 378.567 2.770 20 0 GFADRO COCC[N@H+](C)CCCNC(=O)c1[nH]nc(-c2ccccc2)c1Br ZINC000065107414 551185676 /nfs/dbraw/zinc/18/56/76/551185676.db2.gz MAVWXOCTUTVFRY-UHFFFAOYSA-N 1 0 395.301 2.537 20 0 GFADRO C[NH+](C)C1CCN(C(=O)[C@@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)CC1 ZINC000066395598 551187195 /nfs/dbraw/zinc/18/71/95/551187195.db2.gz BAYRKXXBAITKPY-AWEZNQCLSA-N 1 0 384.307 2.899 20 0 GFADRO COc1cc(C(=O)NC[C@@H]2CC[N@@H+](C(C)C)C2)cc(OC)c1Br ZINC000067634348 551189722 /nfs/dbraw/zinc/18/97/22/551189722.db2.gz BWJBQQQCMQYMBR-LBPRGKRZSA-N 1 0 385.302 2.926 20 0 GFADRO CNC(=O)CCC[N@H+](C)Cc1cn(-c2ccc(Br)cc2)nc1C ZINC000093717433 551195634 /nfs/dbraw/zinc/19/56/34/551195634.db2.gz SKHQHGVVNDCEBG-UHFFFAOYSA-N 1 0 379.302 2.901 20 0 GFADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)NCc3ccc(Cl)cc3Cl)C2)CC1 ZINC000106515625 551199936 /nfs/dbraw/zinc/19/99/36/551199936.db2.gz LKXFJVQGZQLPGD-MRXNPFEDSA-N 1 0 385.339 2.915 20 0 GFADRO C[NH+](C)CCN(CC(=O)OC(C)(C)C)C(=O)c1ccc(Br)cc1 ZINC000110063023 551201940 /nfs/dbraw/zinc/20/19/40/551201940.db2.gz ZNVSCQXXXVJMSO-UHFFFAOYSA-N 1 0 385.302 2.795 20 0 GFADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(Cc2csc(-c3ccsc3)n2)CC1 ZINC000114073232 551208755 /nfs/dbraw/zinc/20/87/55/551208755.db2.gz XCTYKZPTHDDAFX-MRXNPFEDSA-N 1 0 376.551 2.610 20 0 GFADRO O=C(c1ccncc1I)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000119999907 551218755 /nfs/dbraw/zinc/21/87/55/551218755.db2.gz WHHKVBQUKHWAAD-ZDUSSCGKSA-N 1 0 399.276 2.634 20 0 GFADRO C[C@H]1CCC[N@H+](CCNC(=O)Cc2ccccc2I)C1 ZINC000120363592 551220289 /nfs/dbraw/zinc/22/02/89/551220289.db2.gz GRJINBAZUDOLCY-ZDUSSCGKSA-N 1 0 386.277 2.682 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)CNC(=O)c1sc2ccccc2c1Cl ZINC000120799357 551222203 /nfs/dbraw/zinc/22/22/03/551222203.db2.gz LEOPWQAPEGISDM-GFCCVEGCSA-N 1 0 379.913 2.885 20 0 GFADRO O=C(c1cn(-c2ccc(Br)cc2)cn1)N1CC[NH+](CC2CC2)CC1 ZINC000121035337 551225568 /nfs/dbraw/zinc/22/55/68/551225568.db2.gz SMZJZHNGMPMOTP-UHFFFAOYSA-N 1 0 389.297 2.803 20 0 GFADRO Cc1cccc(NC(=O)C(=O)NCC[N@@H+](C)C2CCCC2)c1Br ZINC000121046644 551225873 /nfs/dbraw/zinc/22/58/73/551225873.db2.gz OQKSKJVIDWEKPA-UHFFFAOYSA-N 1 0 382.302 2.687 20 0 GFADRO CC[NH+](CC)[C@H]1CCN(S(=O)(=O)Cc2ccc(Br)cc2)C1 ZINC000121093599 551227383 /nfs/dbraw/zinc/22/73/83/551227383.db2.gz GXIZVHCIBZVDHZ-HNNXBMFYSA-N 1 0 375.332 2.695 20 0 GFADRO C[N@H+](Cc1ncc(-c2ccccc2Cl)o1)C1CCN(S(C)(=O)=O)CC1 ZINC000121522253 551236445 /nfs/dbraw/zinc/23/64/45/551236445.db2.gz SLZMVTYRQKCOCL-UHFFFAOYSA-N 1 0 383.901 2.851 20 0 GFADRO C[NH+](C)CCC1CCN([C@@H](C(N)=O)c2ccc(Br)cc2F)CC1 ZINC000121634697 551238794 /nfs/dbraw/zinc/23/87/94/551238794.db2.gz RWDKGIXBCIIFDX-MRXNPFEDSA-N 1 0 386.309 2.778 20 0 GFADRO COCCN(CC[NH+](C)C)C(=O)Nc1cc(F)c(Br)cc1F ZINC000121677775 551239170 /nfs/dbraw/zinc/23/91/70/551239170.db2.gz LAUJFRMYTJUSTA-UHFFFAOYSA-N 1 0 380.233 2.769 20 0 GFADRO C[C@@]1(C(=O)N[C@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)CCC[NH2+]1 ZINC000121692958 551239653 /nfs/dbraw/zinc/23/96/53/551239653.db2.gz QRRFHQRBLBEROP-NHYWBVRUSA-N 1 0 376.810 2.591 20 0 GFADRO Cc1sc(C(=O)N2CCC(C[NH+]3CCCC3)CC2)cc1CS(C)(=O)=O ZINC000121780198 551242392 /nfs/dbraw/zinc/24/23/92/551242392.db2.gz NTFKAZWXJISOJS-UHFFFAOYSA-N 1 0 384.567 2.549 20 0 GFADRO C[C@H](CNC(=O)c1cc(I)c(F)cc1F)[N@H+](C)C1CC1 ZINC000122209132 551295401 /nfs/dbraw/zinc/29/54/01/551295401.db2.gz GPXPBUFGMZVAJZ-MRVPVSSYSA-N 1 0 394.203 2.782 20 0 GFADRO Cc1nc(-c2cccs2)sc1C(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000121899375 551291848 /nfs/dbraw/zinc/29/18/48/551291848.db2.gz VVECVTQTKZPKIJ-CYBMUJFWSA-N 1 0 378.567 2.793 20 0 GFADRO CC(C)[C@H](CNC(=O)C(=O)Nc1ccccc1Br)[NH+]1CCCC1 ZINC000122798824 551302021 /nfs/dbraw/zinc/30/20/21/551302021.db2.gz KSKGVTGOHZKDID-HNNXBMFYSA-N 1 0 382.302 2.624 20 0 GFADRO CC[NH2+]CC1CCN(S(=O)(=O)c2cc(C)c(Br)s2)CC1 ZINC000123601959 551307391 /nfs/dbraw/zinc/30/73/91/551307391.db2.gz XLADPJBUFYPMCK-UHFFFAOYSA-N 1 0 381.361 2.829 20 0 GFADRO CC[N@H+](CCNC(=O)C(=O)Nc1ccc(C(F)(F)F)cc1Cl)C1CC1 ZINC000126430993 551329678 /nfs/dbraw/zinc/32/96/78/551329678.db2.gz SPAUWUZHJVLSEY-UHFFFAOYSA-N 1 0 377.794 2.898 20 0 GFADRO COc1ccc(I)c(NC(=O)N2C[C@@H](C[NH3+])C[C@@H]2C)c1 ZINC000415079615 563758823 /nfs/dbraw/zinc/75/88/23/563758823.db2.gz XFCHWSZBRQUQJK-VHSXEESVSA-N 1 0 389.237 2.501 20 0 GFADRO Cc1csc(N2CCN(C[C@H](O)COCc3ccccc3Cl)CC2)n1 ZINC000126861814 551333079 /nfs/dbraw/zinc/33/30/79/551333079.db2.gz UWLLBFZKLYUYMA-INIZCTEOSA-N 1 0 381.929 2.805 20 0 GFADRO CC(C)(C)OC(=O)CSCC(=O)NC1CC[NH+](Cc2ccsc2)CC1 ZINC000127105513 551336675 /nfs/dbraw/zinc/33/66/75/551336675.db2.gz NBJLSUCHSOVRFV-UHFFFAOYSA-N 1 0 384.567 2.904 20 0 GFADRO CC(C)C[C@H](NC(=O)Nc1cccc(Br)c1)C(=O)NCC[NH+](C)C ZINC000127341507 551340194 /nfs/dbraw/zinc/34/01/94/551340194.db2.gz NKEVVMHRAPSPPN-HNNXBMFYSA-N 1 0 399.333 2.663 20 0 GFADRO O=C(c1ccccc1I)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000128094263 551346532 /nfs/dbraw/zinc/34/65/32/551346532.db2.gz MEGKTSVVJUQVFS-CYBMUJFWSA-N 1 0 384.261 2.849 20 0 GFADRO CCN(CCC[NH2+][C@@H](C)c1ccc(F)cc1Br)S(C)(=O)=O ZINC000128299561 551348686 /nfs/dbraw/zinc/34/86/86/551348686.db2.gz KDJJAAKRXSCVAW-NSHDSACASA-N 1 0 381.311 2.910 20 0 GFADRO C[C@@H]([NH2+][C@H](C)c1cccc(Cl)c1)C(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000129243075 551355072 /nfs/dbraw/zinc/35/50/72/551355072.db2.gz BUOCFPGGUVTLBN-VXGBXAGGSA-N 1 0 381.885 2.665 20 0 GFADRO COc1ccc(CN2CC[C@H](C[NH+]3CCOCC3)C2)c(Br)c1OC ZINC000129247683 551355208 /nfs/dbraw/zinc/35/52/08/551355208.db2.gz BXZPCZDPAIZJEN-CQSZACIVSA-N 1 0 399.329 2.620 20 0 GFADRO CCS(=O)(=O)NCCC[NH+]1CCC(c2nc3cc(Cl)ccc3o2)CC1 ZINC000134074244 551384615 /nfs/dbraw/zinc/38/46/15/551384615.db2.gz LSFIZQZTVRLHDU-UHFFFAOYSA-N 1 0 385.917 2.990 20 0 GFADRO C[C@H](Cn1cccn1)[NH2+]CCC(=O)N(C)Cc1ccccc1Br ZINC000138463912 551391712 /nfs/dbraw/zinc/39/17/12/551391712.db2.gz CDWJPKNNJZFFOA-CQSZACIVSA-N 1 0 379.302 2.672 20 0 GFADRO COc1ccc(CN2CCC(N(C)C(C)=O)CC2)c(Br)c1OC ZINC000143534356 551395424 /nfs/dbraw/zinc/39/54/24/551395424.db2.gz KDISGDLWYXEXGA-UHFFFAOYSA-N 1 0 385.302 2.909 20 0 GFADRO O=S(=O)(c1ccc(Br)s1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000146245577 551397406 /nfs/dbraw/zinc/39/74/06/551397406.db2.gz RDDITWQYZMYVAC-NSHDSACASA-N 1 0 379.345 2.760 20 0 GFADRO CCC[NH+]1CCC(NS(=O)(=O)c2cc(C)c(Br)s2)CC1 ZINC000149843468 551399435 /nfs/dbraw/zinc/39/94/35/551399435.db2.gz VGODIMZORCCOQP-UHFFFAOYSA-N 1 0 381.361 2.972 20 0 GFADRO Cc1cc(S(=O)(=O)NCC[N@@H+](C)C2CCCC2)sc1Br ZINC000150211310 551399973 /nfs/dbraw/zinc/39/99/73/551399973.db2.gz TYBIRSCMYHDRKJ-UHFFFAOYSA-N 1 0 381.361 2.972 20 0 GFADRO CN(CC(=O)Nc1ccccc1Br)C(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000150713320 551400557 /nfs/dbraw/zinc/40/05/57/551400557.db2.gz JUKHOHSFOBSONT-AGUYFDCRSA-N 1 0 394.313 2.767 20 0 GFADRO CC[NH+](CC)[C@H]1CCN(C(=O)Cc2cccc(I)c2)C1 ZINC000150783414 551401070 /nfs/dbraw/zinc/40/10/70/551401070.db2.gz SIOQMYCFXCTHIT-HNNXBMFYSA-N 1 0 386.277 2.776 20 0 GFADRO C[C@@H](C(=O)NC[C@H](O)COc1ccccc1Br)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000150995956 551405364 /nfs/dbraw/zinc/40/53/64/551405364.db2.gz TUIWFMTXTGEAAK-XGUBFFRZSA-N 1 0 399.329 2.566 20 0 GFADRO Cc1ccc(NC(=O)N2CCC([N@H+]3CCO[C@H](C)C3)CC2)c(Br)n1 ZINC000151449841 551413669 /nfs/dbraw/zinc/41/36/69/551413669.db2.gz UKXXPDWXSMXAFI-CYBMUJFWSA-N 1 0 397.317 2.870 20 0 GFADRO CC[C@H](C)[N@H+](C)CCNC(=O)Nc1ccc(NS(C)(=O)=O)c(Cl)c1 ZINC000152186110 551427858 /nfs/dbraw/zinc/42/78/58/551427858.db2.gz QWLXUSAXWZMSGF-NSHDSACASA-N 1 0 376.910 2.563 20 0 GFADRO O=C(NC1CCN(Cc2ccc(Br)cc2)CC1)N1CCC[C@@H]1CO ZINC000152563175 551435309 /nfs/dbraw/zinc/43/53/09/551435309.db2.gz ZGIISRFUGJCATK-QGZVFWFLSA-N 1 0 396.329 2.580 20 0 GFADRO C[C@@H](O)C[C@@H]1CCC[N@@H+]1CC(=O)N(C)Cc1cc(Br)cs1 ZINC000152647123 551437359 /nfs/dbraw/zinc/43/73/59/551437359.db2.gz JLOLSQMMJJUCGY-YPMHNXCESA-N 1 0 375.332 2.704 20 0 GFADRO COC(=O)N1CCC([NH2+][C@H](C)CC(=O)Nc2cccc(Br)c2)CC1 ZINC000152965647 551443802 /nfs/dbraw/zinc/44/38/02/551443802.db2.gz RUSXPAOHIYQKCP-GFCCVEGCSA-N 1 0 398.301 2.987 20 0 GFADRO C[NH+](C)C[C@](C)(O)CNC(=O)C1(c2cccc(Br)c2)CCCC1 ZINC000153142564 551447046 /nfs/dbraw/zinc/44/70/46/551447046.db2.gz OOSGXPOYQZYWGB-QGZVFWFLSA-N 1 0 383.330 2.690 20 0 GFADRO C[NH+](C)CC(C)(C)CNC(=O)C(=O)Nc1ccc(Br)c(Cl)c1 ZINC000153220640 551448579 /nfs/dbraw/zinc/44/85/79/551448579.db2.gz HBMCOTZGDFTWLQ-UHFFFAOYSA-N 1 0 390.709 2.745 20 0 GFADRO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)c1ccc(F)c(I)c1 ZINC000153433605 551452870 /nfs/dbraw/zinc/45/28/70/551452870.db2.gz FJIIFCILEGXPSO-GFCCVEGCSA-N 1 0 388.224 2.644 20 0 GFADRO Cc1c(C(=O)N2C[C@H](C)[NH2+][C@@H](C)C2)cnn1-c1cccc(Br)c1 ZINC000153563219 551455327 /nfs/dbraw/zinc/45/53/27/551455327.db2.gz RUPLTOWDMKWBJN-RYUDHWBXSA-N 1 0 377.286 2.766 20 0 GFADRO CC[C@@H]1C[N@H+](C[C@H](O)COCc2ccccc2Cl)CCN1CC(F)F ZINC000153608920 551456567 /nfs/dbraw/zinc/45/65/67/551456567.db2.gz XZHBFODROUUYSJ-CVEARBPZSA-N 1 0 376.875 2.879 20 0 GFADRO COc1ccc(Br)cc1C(=O)CCC(=O)N1C[C@H](C)[NH2+][C@@H](C)C1 ZINC000154156267 551468634 /nfs/dbraw/zinc/46/86/34/551468634.db2.gz AVAJRJZFPCFSSZ-RYUDHWBXSA-N 1 0 383.286 2.629 20 0 GFADRO [NH2+]=C1Nc2nc3ccccc3n2[C@@H](c2cc(Br)cc3c2OCC3)N1 ZINC000154398648 551474265 /nfs/dbraw/zinc/47/42/65/551474265.db2.gz PLLOIWJOJGNJMX-HNNXBMFYSA-N 1 0 384.237 2.830 20 0 GFADRO COC[C@@](C)(CCO)[NH2+]Cc1ccnc(-c2ccc(Br)cc2)n1 ZINC000154434682 551474965 /nfs/dbraw/zinc/47/49/65/551474965.db2.gz KLOTZOQTMCJCOZ-QGZVFWFLSA-N 1 0 380.286 2.783 20 0 GFADRO C[N@H+]1[C@@H]2CC[C@H]1CCN(C(=O)c1cn(-c3ccc(Br)cc3)cn1)C2 ZINC000154507363 551476780 /nfs/dbraw/zinc/47/67/80/551476780.db2.gz SZQSDKTVGYTURA-GOEBONIOSA-N 1 0 389.297 2.944 20 0 GFADRO O=C(NCCNc1ncc(Cl)cc1Cl)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC000154575661 551478378 /nfs/dbraw/zinc/47/83/78/551478378.db2.gz DCCNHGPWTWZBKA-OAHLLOKOSA-N 1 0 387.311 2.560 20 0 GFADRO CN(CC[NH+](C)C)C(=O)C(=O)Nc1cccc(Cl)c1SCC(F)F ZINC000154808311 551483283 /nfs/dbraw/zinc/48/32/83/551483283.db2.gz FLCJPJGWNJOKDW-UHFFFAOYSA-N 1 0 379.860 2.656 20 0 GFADRO Cc1ccc(C(=O)NC2CC[NH+](CCOC(C)C)CC2)c(Br)n1 ZINC000154834647 551483688 /nfs/dbraw/zinc/48/36/88/551483688.db2.gz WFIJBIPHXUOWPY-UHFFFAOYSA-N 1 0 384.318 2.772 20 0 GFADRO C[C@H](NC(=O)c1ccc(Br)cc1)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000155064139 551490277 /nfs/dbraw/zinc/49/02/77/551490277.db2.gz CPQJLAZSRRRFEJ-STQMWFEESA-N 1 0 398.345 2.660 20 0 GFADRO Cc1sc(Br)cc1S(=O)(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000155083424 551490836 /nfs/dbraw/zinc/49/08/36/551490836.db2.gz JGPNKQWLDSZZRZ-NSHDSACASA-N 1 0 379.345 2.582 20 0 GFADRO C[NH+](C)C1(CNS(=O)(=O)c2ccc(Cl)c3ccccc32)CCOCC1 ZINC000155147737 551492630 /nfs/dbraw/zinc/49/26/30/551492630.db2.gz CKWWKJLAVVWRMK-UHFFFAOYSA-N 1 0 382.913 2.882 20 0 GFADRO CNC(=O)NC(=O)[C@H](C)[NH+]1CCC(OCc2ccc(Cl)c(Cl)c2)CC1 ZINC000155933941 551511034 /nfs/dbraw/zinc/51/10/34/551511034.db2.gz WRTUFOCGXKHZPH-NSHDSACASA-N 1 0 388.295 2.819 20 0 GFADRO CCS(=O)(=O)NCC[NH+]1CCC(OCc2ccc(Cl)c(Cl)c2)CC1 ZINC000156038256 551513421 /nfs/dbraw/zinc/51/34/21/551513421.db2.gz NDRAESFPLHRCKW-UHFFFAOYSA-N 1 0 395.352 2.914 20 0 GFADRO C[C@@H](Cc1ccc(Br)cc1)C(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000156182789 551516524 /nfs/dbraw/zinc/51/65/24/551516524.db2.gz SPSJWSALDPJFRD-RDJZCZTQSA-N 1 0 395.341 2.808 20 0 GFADRO Cc1cc(I)cc(C(=O)NC[C@@H](C2CC2)[NH+](C)C)c1C ZINC000156201180 551517209 /nfs/dbraw/zinc/51/72/09/551517209.db2.gz HLZYXRIWBJIZQG-HNNXBMFYSA-N 1 0 386.277 2.978 20 0 GFADRO O=C(Nc1ccc(Cl)cc1Br)C(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000156353805 551521117 /nfs/dbraw/zinc/52/11/17/551521117.db2.gz WQJOFVHSMLPDNK-LBPRGKRZSA-N 1 0 398.688 2.514 20 0 GFADRO Cc1cc(C(=O)NC[C@@H](O)C[NH+]2CCC(C)CC2)c(C)cc1Br ZINC000156472609 551523436 /nfs/dbraw/zinc/52/34/36/551523436.db2.gz ZETRUCYUKFIGQF-OAHLLOKOSA-N 1 0 383.330 2.889 20 0 GFADRO C[C@@H](CNC(=O)C[N@H+](C)[C@@H]1CCSC1)Oc1ccccc1Br ZINC000156800719 551528631 /nfs/dbraw/zinc/52/86/31/551528631.db2.gz DVAPUNXYLGLZIB-QWHCGFSZSA-N 1 0 387.343 2.770 20 0 GFADRO CSc1nsc(NC(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)n1 ZINC000156833355 551529143 /nfs/dbraw/zinc/52/91/43/551529143.db2.gz ZHYGVTHFBYJIGS-CQSZACIVSA-N 1 0 377.539 2.946 20 0 GFADRO C[N@@H+]1CCC[C@H](CNC(=O)c2c(F)cccc2I)C1 ZINC000156873618 551530225 /nfs/dbraw/zinc/53/02/25/551530225.db2.gz PFGFAKRKVZWKAZ-SNVBAGLBSA-N 1 0 376.213 2.502 20 0 GFADRO COC1CC[NH+](CCNC(=O)[C@H](C)Cc2ccc(Br)cc2)CC1 ZINC000157590550 551539721 /nfs/dbraw/zinc/53/97/21/551539721.db2.gz SWMSZCMBHGUSEB-CQSZACIVSA-N 1 0 383.330 2.855 20 0 GFADRO COC1(C(=O)NC[C@@H](C)Sc2ccc(Br)cc2)CC[NH2+]CC1 ZINC000157562470 551539882 /nfs/dbraw/zinc/53/98/82/551539882.db2.gz FBNUQCAGXMJPDL-GFCCVEGCSA-N 1 0 387.343 2.815 20 0 GFADRO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]C[C@](C)(O)c2ccccc2Cl)c1 ZINC000157610971 551540334 /nfs/dbraw/zinc/54/03/34/551540334.db2.gz ZSLCYTLIARJLGK-ACJLOTCBSA-N 1 0 382.913 2.806 20 0 GFADRO COCC[N@H+]1[C@H](C)CN(c2ccnc3cc(Br)cnc32)C[C@@H]1C ZINC000158166342 551548058 /nfs/dbraw/zinc/54/80/58/551548058.db2.gz ROMYESZNYDZHJF-BETUJISGSA-N 1 0 379.302 2.938 20 0 GFADRO C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+]C[C@]1(O)CCSC1 ZINC000158267029 551549433 /nfs/dbraw/zinc/54/94/33/551549433.db2.gz YKGUQGFUSIUNNS-IAQYHMDHSA-N 1 0 378.416 2.760 20 0 GFADRO O=C(c1[nH]nc(-c2ccccc2)c1Br)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000158353430 551550423 /nfs/dbraw/zinc/55/04/23/551550423.db2.gz ALWFZMYHJIKGLJ-KRWDZBQOSA-N 1 0 375.270 2.665 20 0 GFADRO COCC[C@@H](Cc1cccc(Br)c1)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000158513784 551552809 /nfs/dbraw/zinc/55/28/09/551552809.db2.gz QADXIJJDMIOSLR-QFBILLFUSA-N 1 0 395.341 2.856 20 0 GFADRO Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+]C2CCN(c3nccs3)CC2)cc1 ZINC000158553531 551553511 /nfs/dbraw/zinc/55/35/11/551553511.db2.gz QCCJLTDJEKAQTM-HNNXBMFYSA-N 1 0 379.551 2.872 20 0 GFADRO C[C@@H]([NH2+]CCCS(=O)(=O)c1ccccc1)c1ccc(S(C)(=O)=O)cc1 ZINC000158697061 551555585 /nfs/dbraw/zinc/55/55/85/551555585.db2.gz NOZBMPHMTJPAEK-OAHLLOKOSA-N 1 0 381.519 2.605 20 0 GFADRO COC(=O)c1cc(Cl)ccc1S(=O)(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000158715367 551555715 /nfs/dbraw/zinc/55/57/15/551555715.db2.gz JTCVTEGZCCPMIM-UHFFFAOYSA-N 1 0 388.917 2.669 20 0 GFADRO CC[NH+]1CCN(CCCNC(=O)[C@@H](C)c2ccc(Br)cc2)CC1 ZINC000158769374 551557056 /nfs/dbraw/zinc/55/70/56/551557056.db2.gz ZFWHQTXCLXEMDU-HNNXBMFYSA-N 1 0 382.346 2.696 20 0 GFADRO NC(=O)[C@@H]([NH2+][C@H]1CCCN(c2ccccn2)C1)c1ccc(Br)cc1 ZINC000159245271 551562476 /nfs/dbraw/zinc/56/24/76/551562476.db2.gz OYRVAIGKIQEGCR-RDJZCZTQSA-N 1 0 389.297 2.629 20 0 GFADRO NC(=O)[C@@H]([NH2+][C@H]1CCCN(c2ccccn2)C1)c1cccc(Br)c1 ZINC000159266355 551563142 /nfs/dbraw/zinc/56/31/42/551563142.db2.gz WHZTZELOJSAPID-RDJZCZTQSA-N 1 0 389.297 2.629 20 0 GFADRO C[C@@H](C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1)c1ccc(Br)cc1 ZINC000159359778 551564029 /nfs/dbraw/zinc/56/40/29/551564029.db2.gz MFTQWGLKCKUYES-LSDHHAIUSA-N 1 0 382.346 2.552 20 0 GFADRO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)C[NH2+][C@H](CCO)C(C)C ZINC000161909800 551600700 /nfs/dbraw/zinc/60/07/00/551600700.db2.gz QPQWMAVSQCCSBS-CYBMUJFWSA-N 1 0 377.268 2.715 20 0 GFADRO C[NH+](C)CC1CCN(S(=O)(=O)c2ccc(Br)cc2F)CC1 ZINC000161980196 551601540 /nfs/dbraw/zinc/60/15/40/551601540.db2.gz MGJLSRNRWWELSB-UHFFFAOYSA-N 1 0 379.295 2.551 20 0 GFADRO CN1CCN(C(=O)c2csc(-c3ccc(Cl)cc3Cl)n2)[C@H](C[NH3+])C1 ZINC000162276169 551606055 /nfs/dbraw/zinc/60/60/55/551606055.db2.gz QRGSLTVASHHMFW-LLVKDONJSA-N 1 0 385.320 2.832 20 0 GFADRO CN(C[C@H]1CCC[N@H+](C)C1)S(=O)(=O)c1cc(F)c(Br)cc1F ZINC000162572876 551610381 /nfs/dbraw/zinc/61/03/81/551610381.db2.gz XAWDZGRNFFVDKQ-JTQLQIEISA-N 1 0 397.285 2.690 20 0 GFADRO C[C@H](NC(=O)[C@H]1CC[C@H]([NH3+])C1)c1nc(-c2ccc(Br)cc2)no1 ZINC000163131753 551616682 /nfs/dbraw/zinc/61/66/82/551616682.db2.gz JBOLUGIQQHHNGD-GAFUQQFSSA-N 1 0 379.258 2.804 20 0 GFADRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)Nc1cc(F)c(F)cc1I ZINC000415244348 563763744 /nfs/dbraw/zinc/76/37/44/563763744.db2.gz XRXIALDTKPSWSO-WKEGUHRASA-N 1 0 381.164 2.523 20 0 GFADRO C[C@@H](Cn1cc(Br)cn1)[NH2+]Cc1cccc(CN2CCOCC2)c1 ZINC000163720931 551621813 /nfs/dbraw/zinc/62/18/13/551621813.db2.gz IMHUUOQFZFHNHR-HNNXBMFYSA-N 1 0 393.329 2.656 20 0 GFADRO COc1cc(OC)c(C[NH2+][C@@H](C)Cn2cc(Br)cn2)c(OC)c1 ZINC000164416699 551625913 /nfs/dbraw/zinc/62/59/13/551625913.db2.gz AIZSCJICGNTKQA-NSHDSACASA-N 1 0 384.274 2.850 20 0 GFADRO C[NH+](C)CCCC1CCN(S(=O)(=O)c2c(Cl)nc3ccccn32)CC1 ZINC000166302837 551631342 /nfs/dbraw/zinc/63/13/42/551631342.db2.gz PKPAKIYLAWRPRH-UHFFFAOYSA-N 1 0 384.933 2.730 20 0 GFADRO COCC[NH+]1CCC(NC(=O)C(C)(C)c2cccc(Br)c2)CC1 ZINC000170670121 551637575 /nfs/dbraw/zinc/63/75/75/551637575.db2.gz PQKYTZKQXBRZKJ-UHFFFAOYSA-N 1 0 383.330 2.954 20 0 GFADRO C[C@H]([NH2+]CC(=O)NCC(=O)Nc1ccccc1Br)c1cccs1 ZINC000171112197 551647184 /nfs/dbraw/zinc/64/71/84/551647184.db2.gz ATCOZFHQWFIUND-NSHDSACASA-N 1 0 396.310 2.916 20 0 GFADRO CC1CC[NH+](CCCNS(=O)(=O)c2cc3c(cc2Cl)OCCO3)CC1 ZINC000171179977 551649036 /nfs/dbraw/zinc/64/90/36/551649036.db2.gz GAYPEKWRFHMCQX-UHFFFAOYSA-N 1 0 388.917 2.512 20 0 GFADRO COCC[NH+]1CCC(NC(=O)N[C@@H](C)Cc2cccc(Br)c2)CC1 ZINC000171190203 551649145 /nfs/dbraw/zinc/64/91/45/551649145.db2.gz WWJJGWDACOAVLK-AWEZNQCLSA-N 1 0 398.345 2.790 20 0 GFADRO C[NH+]1CCC(CCNC(=O)NCCOc2cccc(Br)c2)CC1 ZINC000171350659 551653613 /nfs/dbraw/zinc/65/36/13/551653613.db2.gz NQVZZALLRNQSKR-UHFFFAOYSA-N 1 0 384.318 2.859 20 0 GFADRO CCOc1ccc(Br)cc1C[N@H+](CCCC(=O)NC(N)=O)C1CC1 ZINC000171683430 551660846 /nfs/dbraw/zinc/66/08/46/551660846.db2.gz DECCFFHLPZUMGA-UHFFFAOYSA-N 1 0 398.301 2.787 20 0 GFADRO CC[C@@H](C)C[N@H+](C)CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000171950519 551667608 /nfs/dbraw/zinc/66/76/08/551667608.db2.gz OFIMYPMRIIXMIB-GFCCVEGCSA-N 1 0 375.922 2.507 20 0 GFADRO CN(Cc1ccc(Br)s1)C(=O)NCC1([NH+](C)C)CCOCC1 ZINC000172230391 551673891 /nfs/dbraw/zinc/67/38/91/551673891.db2.gz ISFMMVORBMLFHD-UHFFFAOYSA-N 1 0 390.347 2.763 20 0 GFADRO O=C(CN1CC[NH+](CC2CCOCC2)CC1)Nc1cc(Cl)ccc1Cl ZINC000172425737 551678915 /nfs/dbraw/zinc/67/89/15/551678915.db2.gz MQCKQMUAXMNEDI-UHFFFAOYSA-N 1 0 386.323 2.976 20 0 GFADRO COc1ccc(Br)c(C(=O)N2CC[NH+](CC3CCOCC3)CC2)c1 ZINC000172460751 551679248 /nfs/dbraw/zinc/67/92/48/551679248.db2.gz OCRLKYRIBQGLEX-UHFFFAOYSA-N 1 0 397.313 2.642 20 0 GFADRO O=C(c1ccc(Br)c(F)c1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000172463283 551680034 /nfs/dbraw/zinc/68/00/34/551680034.db2.gz GRVVUGZQPABBER-UHFFFAOYSA-N 1 0 385.277 2.773 20 0 GFADRO C[C@@H](Oc1cccc(Br)c1)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000172914644 551690330 /nfs/dbraw/zinc/69/03/30/551690330.db2.gz UEVDMVCFTADQTF-GFCCVEGCSA-N 1 0 381.274 2.613 20 0 GFADRO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)[C@H]2SCCc3sccc32)CC1 ZINC000173123820 552078253 /nfs/dbraw/zinc/07/82/53/552078253.db2.gz YPESBYCQHLUPQY-QAPCUYQASA-N 1 0 379.595 2.707 20 0 GFADRO C[C@@H](CNC(=O)Nc1cc(Br)ccc1F)C[NH+]1CCN(C)CC1 ZINC000173145801 552078527 /nfs/dbraw/zinc/07/85/27/552078527.db2.gz AERUQEATEKMUBH-LBPRGKRZSA-N 1 0 387.297 2.593 20 0 GFADRO O=C(Nc1ccc(Br)cc1Cl)C(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000173223420 552080124 /nfs/dbraw/zinc/08/01/24/552080124.db2.gz BZHZDOIHQBYIFZ-LBPRGKRZSA-N 1 0 398.688 2.514 20 0 GFADRO Cc1ccc(S(=O)(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)cc1Br ZINC000173248036 552081062 /nfs/dbraw/zinc/08/10/62/552081062.db2.gz MEHJDDITRFHLPI-SWLSCSKDSA-N 1 0 375.332 2.718 20 0 GFADRO C[NH+]1CCN([C@@H]2CCCCN(C(=O)c3ccc(Br)cc3F)C2)CC1 ZINC000173293183 552082117 /nfs/dbraw/zinc/08/21/17/552082117.db2.gz JDPPQHCRRUWCJM-OAHLLOKOSA-N 1 0 398.320 2.830 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000173460662 552085672 /nfs/dbraw/zinc/08/56/72/552085672.db2.gz OXFJOFPRKVRNKY-GOOCMWNKSA-N 1 0 394.313 2.828 20 0 GFADRO CC[NH+](CC)C[C@H]1CCN(C(=O)C(=O)Nc2ccc(Br)cc2C)C1 ZINC000173607137 552088788 /nfs/dbraw/zinc/08/87/88/552088788.db2.gz NMTPVQXPNKVSQK-CQSZACIVSA-N 1 0 396.329 2.886 20 0 GFADRO COc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)NC[C@@H]2CCCO2)cc1Br ZINC000173654561 552090559 /nfs/dbraw/zinc/09/05/59/552090559.db2.gz PZGVZTOMHQONHM-OBJOEFQTSA-N 1 0 385.302 2.792 20 0 GFADRO CCC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2ccc(Br)c(F)c2)C1 ZINC000173955641 552096029 /nfs/dbraw/zinc/09/60/29/552096029.db2.gz VPDBPQJEISBOCF-LBPRGKRZSA-N 1 0 393.322 2.941 20 0 GFADRO CC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2ccc(Br)c(C)c2)C1 ZINC000174020917 552096934 /nfs/dbraw/zinc/09/69/34/552096934.db2.gz MAUGPWGIUKGHCT-ZDUSSCGKSA-N 1 0 375.332 2.720 20 0 GFADRO CC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2cc(Br)ccc2C)C1 ZINC000174021387 552097083 /nfs/dbraw/zinc/09/70/83/552097083.db2.gz JSYNNMWKERDQTK-ZDUSSCGKSA-N 1 0 375.332 2.720 20 0 GFADRO CC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2cc(Br)c(F)cc2F)C1 ZINC000174028407 552097538 /nfs/dbraw/zinc/09/75/38/552097538.db2.gz VBQUWQJYUXQWQW-JTQLQIEISA-N 1 0 397.285 2.690 20 0 GFADRO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N(C)Cc1nc(C(F)(F)F)cs1 ZINC000174101178 552099156 /nfs/dbraw/zinc/09/91/56/552099156.db2.gz AKLVFPHZAWTJAU-AWEZNQCLSA-N 1 0 379.448 2.914 20 0 GFADRO C[NH+]1CCC(C(=O)N2CCN(C(=O)c3c(Cl)cccc3Cl)CC2)CC1 ZINC000174188214 552101887 /nfs/dbraw/zinc/10/18/87/552101887.db2.gz WHPJIIYQYIHKSY-UHFFFAOYSA-N 1 0 384.307 2.620 20 0 GFADRO COc1cc(Br)c(C[NH2+]C(C)(C)CCS(C)(=O)=O)cc1OC ZINC000174638767 552107426 /nfs/dbraw/zinc/10/74/26/552107426.db2.gz AEYSXRWQWGRDQG-UHFFFAOYSA-N 1 0 394.331 2.769 20 0 GFADRO C[NH+](C)[C@H]1CCC[C@@H](NS(=O)(=O)c2cc(Br)ccc2F)C1 ZINC000175078831 552115297 /nfs/dbraw/zinc/11/52/97/552115297.db2.gz YJINTSXTCBYDLM-NEPJUHHUSA-N 1 0 379.295 2.739 20 0 GFADRO O=C(NC1CC[NH+](C2CC2)CC1)c1cc(=O)[nH]c2c(Br)cccc12 ZINC000175204044 552117376 /nfs/dbraw/zinc/11/73/76/552117376.db2.gz LPEIBBJHYXKQOW-UHFFFAOYSA-N 1 0 390.281 2.647 20 0 GFADRO O=C(NCC[NH+]1CCCCCC1)c1cc(=O)[nH]c2c(Br)cccc12 ZINC000175416594 552121342 /nfs/dbraw/zinc/12/13/42/552121342.db2.gz ONZCTCNHPYMDFG-UHFFFAOYSA-N 1 0 392.297 2.896 20 0 GFADRO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NCc1cc(F)cc(Br)c1 ZINC000175588397 552125769 /nfs/dbraw/zinc/12/57/69/552125769.db2.gz QPCQJCWMDQGIPG-MRXNPFEDSA-N 1 0 387.293 2.998 20 0 GFADRO C[NH+](C)CCN(Cc1cccs1)C(=O)[C@@H]1CCCN(CC(F)(F)F)C1 ZINC000175804879 552129803 /nfs/dbraw/zinc/12/98/03/552129803.db2.gz IWLHEHRBYIGFTL-CQSZACIVSA-N 1 0 377.476 2.913 20 0 GFADRO C[C@H]1C[C@@H](N(C)C(=O)Nc2cccc(S(=O)(=O)C(F)F)c2)CC[N@@H+]1C ZINC000175999265 552133606 /nfs/dbraw/zinc/13/36/06/552133606.db2.gz FXECTVDJUSYPKL-AAEUAGOBSA-N 1 0 375.441 2.629 20 0 GFADRO CC[S@](=O)[C@H]1CCC[C@H](NC(=O)N(CC[NH+](C)C)Cc2cccs2)C1 ZINC000176581386 552142026 /nfs/dbraw/zinc/14/20/26/552142026.db2.gz UPCTWGBVAPPAGZ-RTNKVPBISA-N 1 0 385.599 2.901 20 0 GFADRO C[NH+](C)CCN(Cc1cccs1)S(=O)(=O)c1cc(F)c(F)cc1F ZINC000176795029 552145930 /nfs/dbraw/zinc/14/59/30/552145930.db2.gz HDVPPXGJCDQLIW-UHFFFAOYSA-N 1 0 378.441 2.918 20 0 GFADRO CN(CC[NH+](C)C)C(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000176813185 552146148 /nfs/dbraw/zinc/14/61/48/552146148.db2.gz OCTJVKQUTWRNMB-CQSZACIVSA-N 1 0 386.323 2.866 20 0 GFADRO CN1CCN(S(=O)(=O)c2ccc(F)cc2Br)c2c[nH+]ccc21 ZINC000176973570 552148250 /nfs/dbraw/zinc/14/82/50/552148250.db2.gz CURZTZLZLVCCPH-UHFFFAOYSA-N 1 0 386.246 2.628 20 0 GFADRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1cc(=O)[nH]c2c(Br)cccc12 ZINC000177010769 552149491 /nfs/dbraw/zinc/14/94/91/552149491.db2.gz IDQWMYOKAYPASP-NHYWBVRUSA-N 1 0 392.297 2.703 20 0 GFADRO C[NH+](C)C1CCN(CCNC(=O)CCc2ccc(Br)cc2)CC1 ZINC000177153957 552150719 /nfs/dbraw/zinc/15/07/19/552150719.db2.gz YMVVKICXVKLTLB-UHFFFAOYSA-N 1 0 382.346 2.524 20 0 GFADRO CC1(O)CC[NH+](C[C@H](O)COc2ccc(Cl)cc2Br)CC1 ZINC000177304147 552152715 /nfs/dbraw/zinc/15/27/15/552152715.db2.gz AQRFCQXDWUCFSK-LBPRGKRZSA-N 1 0 378.694 2.689 20 0 GFADRO Cn1c(SCC(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)nnc1-c1cccs1 ZINC000177479398 552155257 /nfs/dbraw/zinc/15/52/57/552155257.db2.gz MWKMHQPBNGWPOS-OLZOCXBDSA-N 1 0 379.555 2.625 20 0 GFADRO C[C@@H]1CCC[N@H+](CCCCNC(=O)Nc2cc(Br)cn(C)c2=O)C1 ZINC000177973251 552161748 /nfs/dbraw/zinc/16/17/48/552161748.db2.gz WQBTUMOPCGWHGP-CYBMUJFWSA-N 1 0 399.333 2.781 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)C[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000178335385 552168969 /nfs/dbraw/zinc/16/89/69/552168969.db2.gz OFOROPHKLQRKQM-JSGCOSHPSA-N 1 0 396.329 2.838 20 0 GFADRO C[C@@H]([NH2+][C@@H](C)Cn1cc(Br)cn1)c1ccc(-n2cncn2)cc1 ZINC000178323626 552168988 /nfs/dbraw/zinc/16/89/88/552168988.db2.gz OSDGJJIHZSETHT-QWHCGFSZSA-N 1 0 375.274 2.966 20 0 GFADRO [NH3+]C[C@H](C(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1)c1ccccc1 ZINC000178687766 552173685 /nfs/dbraw/zinc/17/36/85/552173685.db2.gz QNIGOGYYBAWLHR-HNNXBMFYSA-N 1 0 379.291 2.780 20 0 GFADRO O=S(=O)(c1ccc(Br)c(Cl)c1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000178691734 552173910 /nfs/dbraw/zinc/17/39/10/552173910.db2.gz KJJXNAGHWZONDV-SNVBAGLBSA-N 1 0 379.707 2.571 20 0 GFADRO COC(=O)c1ccc(Cl)cc1S(=O)(=O)NCCC[NH+](C(C)C)C(C)C ZINC000178833833 552176446 /nfs/dbraw/zinc/17/64/46/552176446.db2.gz RVWMSOKYYYDRQQ-UHFFFAOYSA-N 1 0 390.933 2.914 20 0 GFADRO Cc1cccc(S(=O)(=O)NC2CC[NH+](CC3CC3)CC2)c1Br ZINC000178869298 552177665 /nfs/dbraw/zinc/17/76/65/552177665.db2.gz MASMHFARRMOOLK-UHFFFAOYSA-N 1 0 387.343 2.910 20 0 GFADRO CC(=O)NC[C@@H]1CCC[N@H+](Cc2cnn(-c3ccc(Br)cc3)c2)C1 ZINC000178875556 552178356 /nfs/dbraw/zinc/17/83/56/552178356.db2.gz VDYOWHGXFJLMDB-HNNXBMFYSA-N 1 0 391.313 2.983 20 0 GFADRO C[NH+](C)C[C@@H]1CCN(C(=O)c2cn(-c3ccc(Br)cc3)cn2)C1 ZINC000178920621 552179345 /nfs/dbraw/zinc/17/93/45/552179345.db2.gz ZXSBIEUQIKZHNN-ZDUSSCGKSA-N 1 0 377.286 2.659 20 0 GFADRO CCOc1ccc(S(=O)(=O)N2CCC([C@H](C)[NH3+])CC2)cc1Br ZINC000178926198 552179735 /nfs/dbraw/zinc/17/97/35/552179735.db2.gz DPTJGIPDLAEKKB-NSHDSACASA-N 1 0 391.331 2.596 20 0 GFADRO C[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)C1 ZINC000178964144 552180996 /nfs/dbraw/zinc/18/09/96/552180996.db2.gz OEBYXPIPAUWQHM-WBMJQRKESA-N 1 0 384.307 2.666 20 0 GFADRO CC1(C)COCCN1CCNC(=O)Nc1cc(F)c(Br)cc1F ZINC000179214734 552187383 /nfs/dbraw/zinc/18/73/83/552187383.db2.gz KNHXILLYLKBNEN-UHFFFAOYSA-N 1 0 392.244 2.960 20 0 GFADRO CN(CCOc1ccc(Br)cc1)C(=O)C[N@H+](C)[C@H]1CCSC1 ZINC000179258778 552188276 /nfs/dbraw/zinc/18/82/76/552188276.db2.gz OWXJEJNBSRXNNK-AWEZNQCLSA-N 1 0 387.343 2.724 20 0 GFADRO CN(Cc1ccc(Br)cc1)C(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000179290642 552189066 /nfs/dbraw/zinc/18/90/66/552189066.db2.gz AVFLUWNSSWJQTH-UHFFFAOYSA-N 1 0 397.361 2.617 20 0 GFADRO CNC(=O)CC[N@H+](C)Cc1c(C)nn(-c2ccc(Br)cc2)c1C ZINC000179409042 552192218 /nfs/dbraw/zinc/19/22/18/552192218.db2.gz HWURRCWNSZKSPJ-UHFFFAOYSA-N 1 0 379.302 2.820 20 0 GFADRO CC[C@H](CO)[NH+]1CCN(C(=O)Cc2cc(Cl)ccc2Br)CC1 ZINC000179410816 552192757 /nfs/dbraw/zinc/19/27/57/552192757.db2.gz GIGAADFOQXVLTH-CQSZACIVSA-N 1 0 389.721 2.560 20 0 GFADRO CNC(=O)C1CC[NH+](Cc2cnn(-c3ccc(Br)cc3)c2)CC1 ZINC000179823638 552204189 /nfs/dbraw/zinc/20/41/89/552204189.db2.gz KGTRGVYUDXIKFU-UHFFFAOYSA-N 1 0 377.286 2.593 20 0 GFADRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)c2cnn3cc(Br)cnc23)C1 ZINC000179917023 552207010 /nfs/dbraw/zinc/20/70/10/552207010.db2.gz KEANPFLFDJXHGB-CYBMUJFWSA-N 1 0 394.317 2.590 20 0 GFADRO CNC(=O)CN1CCC([NH2+][C@@H](c2ccc(Br)cc2)C2CC2)CC1 ZINC000180011175 552209568 /nfs/dbraw/zinc/20/95/68/552209568.db2.gz LAFZNQDYNIQADA-GOSISDBHSA-N 1 0 380.330 2.700 20 0 GFADRO C[C@H]([NH2+]CCCc1nc2c(s1)CCCC2)c1ccc(S(N)(=O)=O)cc1 ZINC000180085673 552212621 /nfs/dbraw/zinc/21/26/21/552212621.db2.gz KUUWVNRNEAARRW-ZDUSSCGKSA-N 1 0 379.551 2.953 20 0 GFADRO O=C(NCCNc1cccc(Br)c1)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC000180362433 552223978 /nfs/dbraw/zinc/22/39/78/552223978.db2.gz JRACWYYODKGSSH-KRWDZBQOSA-N 1 0 396.329 2.621 20 0 GFADRO Cc1cc(NC(=O)C[NH2+]C(C)(C)COc2ncccc2Br)no1 ZINC000180396505 552224845 /nfs/dbraw/zinc/22/48/45/552224845.db2.gz WAQOYBUXLXWKQY-UHFFFAOYSA-N 1 0 383.246 2.526 20 0 GFADRO Cc1cc(C(=O)NC[C@@](C)(O)C[NH+](C)C)nn1-c1ccc(Cl)c(Cl)c1 ZINC000180815238 552236478 /nfs/dbraw/zinc/23/64/78/552236478.db2.gz ZVIGJBGFXIGBGB-QGZVFWFLSA-N 1 0 385.295 2.530 20 0 GFADRO CC[NH+]1CCN([C@H]2CCN(C(=O)Cc3ccc(Br)cc3C)C2)CC1 ZINC000181218380 552250184 /nfs/dbraw/zinc/25/01/84/552250184.db2.gz CYBHJSGFEPSKTC-SFHVURJKSA-N 1 0 394.357 2.538 20 0 GFADRO C[C@@H]([NH2+]CC1(CS(C)(=O)=O)CC1)c1ccc(I)cc1 ZINC000181227303 552250687 /nfs/dbraw/zinc/25/06/87/552250687.db2.gz VMYFGUNZQKRDJJ-LLVKDONJSA-N 1 0 393.290 2.767 20 0 GFADRO C[NH+]1CCN(CCCSc2nnc(Cc3cccs3)n2C2CC2)CC1 ZINC000181313254 552253092 /nfs/dbraw/zinc/25/30/92/552253092.db2.gz SYZGSERFASBJSH-UHFFFAOYSA-N 1 0 377.583 2.995 20 0 GFADRO CN(CC[NH2+]C1CCN(c2ccccc2)CC1)S(=O)(=O)c1cccs1 ZINC000181503625 552259071 /nfs/dbraw/zinc/25/90/71/552259071.db2.gz OIYIKSRIDAOJNW-UHFFFAOYSA-N 1 0 379.551 2.627 20 0 GFADRO C[N@@H+]1CCCN(C(=O)Nc2cc(F)c(I)c(F)c2)CC1 ZINC000181580474 552261724 /nfs/dbraw/zinc/26/17/24/552261724.db2.gz JJAQCYQJWWNASF-UHFFFAOYSA-N 1 0 395.191 2.739 20 0 GFADRO CS(=O)(=O)N1CCC[C@@H]1C[NH2+][C@@H]1CCc2c1c(Br)ccc2F ZINC000181692384 552265330 /nfs/dbraw/zinc/26/53/30/552265330.db2.gz IPKLNHYWDDTHDJ-QMTHXVAHSA-N 1 0 391.306 2.589 20 0 GFADRO Cc1c(C(=O)N(C)CCC[NH+](C)C)cnn1-c1cccc(Br)c1 ZINC000181944639 552271845 /nfs/dbraw/zinc/27/18/45/552271845.db2.gz VPLBVKGGUBULCM-UHFFFAOYSA-N 1 0 379.302 2.967 20 0 GFADRO NC(=O)C[C@@H]([NH2+]C[C@@H](O)COc1ccc(Br)cc1)C1CCCCC1 ZINC000182011908 552272619 /nfs/dbraw/zinc/27/26/19/552272619.db2.gz OKAAYWDOPSWGCP-NVXWUHKLSA-N 1 0 399.329 2.603 20 0 GFADRO C[N@H+](CCCO)C1CCN(C(=O)Nc2cc(F)ccc2Br)CC1 ZINC000182030622 552273498 /nfs/dbraw/zinc/27/34/98/552273498.db2.gz WZAVMIKEWOWQHK-UHFFFAOYSA-N 1 0 388.281 2.899 20 0 GFADRO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NCCNc1cccc(Br)c1 ZINC000182106649 552275695 /nfs/dbraw/zinc/27/56/95/552275695.db2.gz JCNVBRIUALAQFJ-QGZVFWFLSA-N 1 0 398.345 2.770 20 0 GFADRO C[C@@H](CCNC(=O)C(=O)Nc1ccccc1Br)[NH+]1CCCCC1 ZINC000182136646 552276221 /nfs/dbraw/zinc/27/62/21/552276221.db2.gz URPVZOQUWLNAAU-ZDUSSCGKSA-N 1 0 382.302 2.768 20 0 GFADRO Cc1cc(NC(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)cnc1Br ZINC000182434378 552283789 /nfs/dbraw/zinc/28/37/89/552283789.db2.gz MGYHOIOUDYIIEJ-CYBMUJFWSA-N 1 0 397.317 2.775 20 0 GFADRO Cc1cc(Br)ccc1CC(=O)NCCCC[N@@H+]1CCC[C@H]1CO ZINC000182558836 552287125 /nfs/dbraw/zinc/28/71/25/552287125.db2.gz BTLVUPICRVTROM-KRWDZBQOSA-N 1 0 383.330 2.653 20 0 GFADRO CC[C@@H](C)[C@H](C)[NH2+]CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000183087827 552299649 /nfs/dbraw/zinc/29/96/49/552299649.db2.gz OTXULIMTFOAZBE-NEPJUHHUSA-N 1 0 375.922 2.553 20 0 GFADRO C[C@H](O)[C@H]1CC[N@H+](C[C@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000183222099 552303321 /nfs/dbraw/zinc/30/33/21/552303321.db2.gz GJONQJGIXKNRAO-GVXVVHGQSA-N 1 0 378.694 2.545 20 0 GFADRO Cc1ccc(NC(=O)C(=O)NCC2(C[NH+](C)C)CCCC2)cc1Br ZINC000183354473 552306518 /nfs/dbraw/zinc/30/65/18/552306518.db2.gz NOQLKMGPEVVYJS-UHFFFAOYSA-N 1 0 396.329 2.934 20 0 GFADRO CCS(=O)(=O)C[C@H](C)[NH2+]C[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000183408142 552308573 /nfs/dbraw/zinc/30/85/73/552308573.db2.gz LJSOVBDDAJZVLN-RVSPLBMKSA-N 1 0 376.925 2.885 20 0 GFADRO O=C(C[NH2+][C@@H](CO)c1ccccc1)Nc1ccc(I)cc1 ZINC000183655183 552315719 /nfs/dbraw/zinc/31/57/19/552315719.db2.gz NLZDJPZFFDKWNZ-HNNXBMFYSA-N 1 0 396.228 2.553 20 0 GFADRO CC(C)(C)[C@@H](CCO)[NH2+]CC(=O)Nc1ccc(I)cc1 ZINC000183660295 552315835 /nfs/dbraw/zinc/31/58/35/552315835.db2.gz BTSSRDZQMUSAPV-CYBMUJFWSA-N 1 0 390.265 2.616 20 0 GFADRO CC(C)(C)[C@H](CCO)[NH2+]CC(=O)Nc1cccc(I)c1 ZINC000183679639 552316455 /nfs/dbraw/zinc/31/64/55/552316455.db2.gz ZOVULHPJMVKSER-ZDUSSCGKSA-N 1 0 390.265 2.616 20 0 GFADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)/C=C/c1ccc(Br)s1 ZINC000184369905 552334244 /nfs/dbraw/zinc/33/42/44/552334244.db2.gz XYBUOJBYWHYURS-DIECRNLCSA-N 1 0 386.359 2.666 20 0 GFADRO CC[C@H](CO)N1CCN(C(=O)Nc2ccc(Cl)cc2OC(F)F)CC1 ZINC000184390086 552334466 /nfs/dbraw/zinc/33/44/66/552334466.db2.gz MNALVQHRIWOUFA-GFCCVEGCSA-N 1 0 377.819 2.862 20 0 GFADRO Cc1ccc(CCC(=O)N2CC[NH+](CC(C)(C)O)CC2)c(Br)c1 ZINC000185519406 552364991 /nfs/dbraw/zinc/36/49/91/552364991.db2.gz YUQQPEFYAHAJSA-UHFFFAOYSA-N 1 0 383.330 2.605 20 0 GFADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)NCCc1c(Cl)cccc1Cl ZINC000185607656 552366585 /nfs/dbraw/zinc/36/65/85/552366585.db2.gz JZMMWQMZTQDAPR-CQSZACIVSA-N 1 0 387.355 2.861 20 0 GFADRO Cc1nc(NC(=O)N2CC[NH+](CC3CCOCC3)CC2)ccc1Br ZINC000185614711 552366920 /nfs/dbraw/zinc/36/69/20/552366920.db2.gz GLMREKXVDWHWNJ-UHFFFAOYSA-N 1 0 397.317 2.729 20 0 GFADRO COc1cc(Br)cc(S(=O)(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000185842491 552372178 /nfs/dbraw/zinc/37/21/78/552372178.db2.gz FFHQSENIYSQVAK-DGCLKSJQSA-N 1 0 391.331 2.561 20 0 GFADRO CC(C)C(=O)NCC[NH2+]Cc1cc(Br)cc(Br)c1N ZINC000185884630 552372875 /nfs/dbraw/zinc/37/28/75/552372875.db2.gz WRISMCGWCVGYKX-UHFFFAOYSA-N 1 0 393.123 2.656 20 0 GFADRO O[C@H](COc1cc(Cl)ccc1Cl)C[NH+]1CCC(Cn2cncn2)CC1 ZINC000186226871 552382391 /nfs/dbraw/zinc/38/23/91/552382391.db2.gz LLTCXVOWVWKMFW-HNNXBMFYSA-N 1 0 385.295 2.737 20 0 GFADRO CCOC(=O)c1nn(C)cc1C[NH2+]C[C@@H](C)Oc1ccccc1Br ZINC000186377276 552386511 /nfs/dbraw/zinc/38/65/11/552386511.db2.gz LRPXKRDESLJALP-GFCCVEGCSA-N 1 0 396.285 2.916 20 0 GFADRO Cc1c(C(=O)N[C@H]2C[NH2+]CC[C@@H]2C)cnn1-c1ccc(Br)cc1 ZINC000186823775 552398859 /nfs/dbraw/zinc/39/88/59/552398859.db2.gz OOTNFGFUOADTQV-ZBEGNZNMSA-N 1 0 377.286 2.671 20 0 GFADRO Cc1c(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)cnn1-c1cccc(Br)c1 ZINC000186881311 552400124 /nfs/dbraw/zinc/40/01/24/552400124.db2.gz ZIVNVHDJAQZYHV-MEDUHNTESA-N 1 0 377.286 2.671 20 0 GFADRO O=C(NCCCC[N@H+]1CCC[C@H]1CO)c1c[nH]nc1-c1ccc(Cl)s1 ZINC000186942089 552402329 /nfs/dbraw/zinc/40/23/29/552402329.db2.gz BVBHVRDZUGITKU-LBPRGKRZSA-N 1 0 382.917 2.758 20 0 GFADRO COc1cc(Br)ccc1CNC(=O)NCCC1CC[NH+](C)CC1 ZINC000187075071 552405815 /nfs/dbraw/zinc/40/58/15/552405815.db2.gz RWYSFMWKQSCSKL-UHFFFAOYSA-N 1 0 384.318 2.989 20 0 GFADRO C[C@H]([NH2+]CCCc1nc(-c2ccncc2)cs1)C1CCS(=O)(=O)CC1 ZINC000187340692 552412549 /nfs/dbraw/zinc/41/25/49/552412549.db2.gz UAPICAUDWAYTAS-AWEZNQCLSA-N 1 0 379.551 2.941 20 0 GFADRO CCn1c2ccc(S(N)(=O)=O)cc2nc1SCCC[NH+]1CCCCC1 ZINC000187668956 552421299 /nfs/dbraw/zinc/42/12/99/552421299.db2.gz QNVKFYPHAKITSF-UHFFFAOYSA-N 1 0 382.555 2.672 20 0 GFADRO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]Cc1cc(C(N)=O)co1 ZINC000187719956 552422648 /nfs/dbraw/zinc/42/26/48/552422648.db2.gz KGXYHMBPNUNERW-SNVBAGLBSA-N 1 0 380.242 2.648 20 0 GFADRO Cc1cc(F)c(Br)cc1NC(=O)C(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000187879330 552427076 /nfs/dbraw/zinc/42/70/76/552427076.db2.gz YSAALVMFPLUWOZ-QWRGUYRKSA-N 1 0 398.276 2.577 20 0 GFADRO COc1ccc(S(=O)(=O)N(C)CC2([NH+](C)C)CCC2)cc1Br ZINC000187940186 552429171 /nfs/dbraw/zinc/42/91/71/552429171.db2.gz OVTGISVFARWVEH-UHFFFAOYSA-N 1 0 391.331 2.563 20 0 GFADRO CSC[C@H](O)C[NH+]1CCN(Cc2csc(-c3ccc(F)cc3)n2)CC1 ZINC000188068209 552433717 /nfs/dbraw/zinc/43/37/17/552433717.db2.gz YZTSLGVSAZTMEX-QGZVFWFLSA-N 1 0 381.542 2.791 20 0 GFADRO CCN(CCC[NH+]1CCCC1)C(=O)CNC(=O)c1cccc(Br)c1 ZINC000188112075 552435691 /nfs/dbraw/zinc/43/56/91/552435691.db2.gz WWSNKLATVIZSKS-UHFFFAOYSA-N 1 0 396.329 2.513 20 0 GFADRO Cc1cc(Br)cc(NC(=O)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)c1 ZINC000188131370 552435977 /nfs/dbraw/zinc/43/59/77/552435977.db2.gz QGYTWMNNUMQVAH-LBPRGKRZSA-N 1 0 384.318 2.789 20 0 GFADRO Cc1cc(Br)cc(NC(=O)C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)c1 ZINC000188124329 552436120 /nfs/dbraw/zinc/43/61/20/552436120.db2.gz QXLQNVQVICGFKL-HIFRSBDPSA-N 1 0 382.302 2.685 20 0 GFADRO Cc1cc(Br)cc(NC(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c1 ZINC000188135863 552436681 /nfs/dbraw/zinc/43/66/81/552436681.db2.gz NOAUFDQQELVYJV-XJKSGUPXSA-N 1 0 394.313 2.639 20 0 GFADRO C[C@@H](Cc1ccc(Br)cc1)[NH2+]CC1CCN(S(C)(=O)=O)CC1 ZINC000188165071 552437461 /nfs/dbraw/zinc/43/74/61/552437461.db2.gz VSRCJIOFGHRKDG-ZDUSSCGKSA-N 1 0 389.359 2.641 20 0 GFADRO COC[C@H]([NH2+]Cc1cc(Br)c(OC)c(OC)c1)C1CCOCC1 ZINC000188177847 552437994 /nfs/dbraw/zinc/43/79/94/552437994.db2.gz FYVBBOGEJNUMAN-HNNXBMFYSA-N 1 0 388.302 2.998 20 0 GFADRO C[C@@H](Cc1ccc(Br)cc1)[NH2+][C@@H]1CCCN(c2ccn(C)n2)C1=O ZINC000188298022 552441388 /nfs/dbraw/zinc/44/13/88/552441388.db2.gz GUZGOTFSLWCQDW-XJKSGUPXSA-N 1 0 391.313 2.899 20 0 GFADRO CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+]C[C@@H](O)CC(F)(F)F)cc1 ZINC000189343068 552469102 /nfs/dbraw/zinc/46/91/02/552469102.db2.gz CRNDMQCEVWHDNW-JSGCOSHPSA-N 1 0 382.448 2.681 20 0 GFADRO C[C@@H](O)C[N@@H+]1CCN(CC(=O)Nc2c(Cl)cc(Cl)cc2Cl)[C@@H](C)C1 ZINC000189573322 552474771 /nfs/dbraw/zinc/47/47/71/552474771.db2.gz QQOPISYPMAADQN-WDEREUQCSA-N 1 0 394.730 2.972 20 0 GFADRO C[C@H](O)C[NH+]1CCN(Cc2ccc(OC(F)F)c(Br)c2)CC1 ZINC000189857975 552481333 /nfs/dbraw/zinc/48/13/33/552481333.db2.gz ZVWMZMSYAVRWEQ-NSHDSACASA-N 1 0 379.245 2.549 20 0 GFADRO Cc1cc(Br)cc(NC(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCC2)c1 ZINC000190016789 552485400 /nfs/dbraw/zinc/48/54/00/552485400.db2.gz VTZPNYGFVNOWHJ-INIZCTEOSA-N 1 0 394.313 2.783 20 0 GFADRO O=C(c1c[nH]nc1-c1ccc(Cl)s1)N1CC[NH+](C2CCOCC2)CC1 ZINC000190074559 552486605 /nfs/dbraw/zinc/48/66/05/552486605.db2.gz VKMMYDVGACYZLL-UHFFFAOYSA-N 1 0 380.901 2.728 20 0 GFADRO COc1cc(Br)ccc1[C@H](C)[NH2+]CCCN1C(=O)NC(C)(C)C1=O ZINC000190457515 552497058 /nfs/dbraw/zinc/49/70/58/552497058.db2.gz MKHUPUDVFXTQAA-NSHDSACASA-N 1 0 398.301 2.829 20 0 GFADRO CCN(C(=O)c1cc(Br)nn1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000190667085 552505465 /nfs/dbraw/zinc/50/54/65/552505465.db2.gz YTGRSZGOGUSYBN-HNNXBMFYSA-N 1 0 391.313 2.919 20 0 GFADRO COC[C@@H](O)C[N@@H+]1CCC[C@@H]1c1nc(-c2ccccc2Br)no1 ZINC000190784766 552508849 /nfs/dbraw/zinc/50/88/49/552508849.db2.gz KARDPNMPFKJYHY-SMDDNHRTSA-N 1 0 382.258 2.643 20 0 GFADRO CCC[N@H+](CC)CCNC(=O)C(=O)Nc1cc(Br)c(F)cc1F ZINC000190866017 552511742 /nfs/dbraw/zinc/51/17/42/552511742.db2.gz AUMKOYQTRRAYJF-UHFFFAOYSA-N 1 0 392.244 2.514 20 0 GFADRO CC(C)(C)n1cc(C[NH2+]CCCNC(=O)c2cccc(Br)c2)nn1 ZINC000190918937 552513475 /nfs/dbraw/zinc/51/34/75/552513475.db2.gz QGGMWDRSQTUJCL-UHFFFAOYSA-N 1 0 394.317 2.705 20 0 GFADRO Cc1csc(C(=O)NC[C@@H](C(C)C)N2CC[NH+](C)CC2)c1Br ZINC000190953773 552514493 /nfs/dbraw/zinc/51/44/93/552514493.db2.gz IDVOMQCWGYVINM-ZDUSSCGKSA-N 1 0 388.375 2.821 20 0 GFADRO C[N@H+](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C1(CO)CCOCC1 ZINC000191015151 552516884 /nfs/dbraw/zinc/51/68/84/552516884.db2.gz VEDPFGDOKLRJDO-UHFFFAOYSA-N 1 0 380.794 2.771 20 0 GFADRO C[C@H]1CC(O)C[C@H](C)[NH+]1CC(=O)N(C)CCOc1ccc(Br)cc1 ZINC000191168617 552520212 /nfs/dbraw/zinc/52/02/12/552520212.db2.gz FTQNWTFNMWVNPV-KBPBESRZSA-N 1 0 399.329 2.520 20 0 GFADRO Nc1cc(C[NH+]2CCC(C(=O)Nc3ccc(Br)cn3)CC2)ccn1 ZINC000191565216 552532082 /nfs/dbraw/zinc/53/20/82/552532082.db2.gz DLYXBMJJQDRNOQ-UHFFFAOYSA-N 1 0 390.285 2.672 20 0 GFADRO COCC[NH+]1CCC(NC(=O)N2CCc3cc(Br)ccc3C2)CC1 ZINC000191653274 552534157 /nfs/dbraw/zinc/53/41/57/552534157.db2.gz UURPFIGXZHQQAW-UHFFFAOYSA-N 1 0 396.329 2.628 20 0 GFADRO Brc1ccc(C[N@@H+]2CC[C@]3(CCOC3)C2)c(N2CCOCC2)c1 ZINC000191696533 552535300 /nfs/dbraw/zinc/53/53/00/552535300.db2.gz UQHAJKCEXMYAJO-SFHVURJKSA-N 1 0 381.314 2.898 20 0 GFADRO COc1ccc(S(=O)(=O)N(CC[NH3+])Cc2ccccc2)cc1Br ZINC000191928670 552543442 /nfs/dbraw/zinc/54/34/42/552543442.db2.gz JVHWPJUMQQQCQV-UHFFFAOYSA-N 1 0 399.310 2.607 20 0 GFADRO [NH3+]C[C@H](NS(=O)(=O)c1ccc(Br)cc1Cl)C1CCCC1 ZINC000192028953 552546635 /nfs/dbraw/zinc/54/66/35/552546635.db2.gz RENXPYZTVQGDGO-LBPRGKRZSA-N 1 0 381.723 2.898 20 0 GFADRO O=C1[C@H](N2CC[NH+](CC3CC3)CC2)CCN1c1cccc(Br)c1 ZINC000192065021 552548404 /nfs/dbraw/zinc/54/84/04/552548404.db2.gz YMWOXJGMECBSJL-QGZVFWFLSA-N 1 0 378.314 2.582 20 0 GFADRO COCCOC[C@@H]1CC[N@@H+]([C@@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000192073779 552549090 /nfs/dbraw/zinc/54/90/90/552549090.db2.gz BUDFMISPPXKTCN-RHSMWYFYSA-N 1 0 397.313 2.539 20 0 GFADRO CN(C)CC[NH+]1CCC(CNC(=O)c2cccc(Br)c2F)CC1 ZINC000192106622 552551096 /nfs/dbraw/zinc/55/10/96/552551096.db2.gz VADBDJJLRBPMAI-UHFFFAOYSA-N 1 0 386.309 2.592 20 0 GFADRO COCCN(CC[NH+](C)C)C(=O)Nc1c(F)cc(F)cc1Br ZINC000192290650 552558371 /nfs/dbraw/zinc/55/83/71/552558371.db2.gz WUJTVAMNFISYJA-UHFFFAOYSA-N 1 0 380.233 2.769 20 0 GFADRO CCCN([C@H]1CC[NH2+]C1)S(=O)(=O)c1ccc(Cl)c(Br)c1 ZINC000192389593 552561325 /nfs/dbraw/zinc/56/13/25/552561325.db2.gz OVZBQQVFZBOQMB-JTQLQIEISA-N 1 0 381.723 2.865 20 0 GFADRO CC[NH+](CC)CCCNC(=O)C(=O)Nc1cc(C)c(Br)c(C)c1 ZINC000192448422 552564244 /nfs/dbraw/zinc/56/42/44/552564244.db2.gz JQHTWQALJHWUEL-UHFFFAOYSA-N 1 0 384.318 2.853 20 0 GFADRO C[N@H+]1C[C@H]2CN(C(=O)c3cc(Cl)ccc3I)C[C@H]2C1 ZINC000192474671 552565121 /nfs/dbraw/zinc/56/51/21/552565121.db2.gz MIDIQBVHDZCUOV-AOOOYVTPSA-N 1 0 390.652 2.578 20 0 GFADRO Cc1c(Br)ccc(NC(=O)C(=O)NC2CC[NH+](C3CC3)CC2)c1F ZINC000192542126 552566277 /nfs/dbraw/zinc/56/62/77/552566277.db2.gz SYHZKBYWUQZVKN-UHFFFAOYSA-N 1 0 398.276 2.578 20 0 GFADRO C[C@@H]([NH2+][C@@H](C)c1ccc(S(N)(=O)=O)cc1)C(=O)Nc1ccc(Cl)cc1 ZINC000192657001 552568597 /nfs/dbraw/zinc/56/85/97/552568597.db2.gz CCHMFHGJIFJLJS-NWDGAFQWSA-N 1 0 381.885 2.665 20 0 GFADRO CNC(=O)c1cc(Br)ccc1NC(=O)C1CC[NH+](C2CC2)CC1 ZINC000192757712 552972896 /nfs/dbraw/zinc/97/28/96/552972896.db2.gz BMGGHBZWNRXSKK-UHFFFAOYSA-N 1 0 380.286 2.622 20 0 GFADRO CN(C(=O)C1CC[NH+](C2CC2)CC1)[C@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000192769442 552973411 /nfs/dbraw/zinc/97/34/11/552973411.db2.gz KQLGOSIUHRCGBM-INIZCTEOSA-N 1 0 382.913 2.501 20 0 GFADRO C[C@H]1CN(CCN2CCO[C@H](c3ccc(F)c(Br)c3)C2)CCO1 ZINC000192803605 552974020 /nfs/dbraw/zinc/97/40/20/552974020.db2.gz LGVSWQSUNAHXFM-GUYCJALGSA-N 1 0 387.293 2.682 20 0 GFADRO CC[N@@H+]1CCCC[C@@H]1CNS(=O)(=O)c1cc(OC)c(OC)cc1Cl ZINC000192818806 552974506 /nfs/dbraw/zinc/97/45/06/552974506.db2.gz RCJIIVBGOVYZTE-GFCCVEGCSA-N 1 0 376.906 2.510 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2cc(OC)c(OC)cc2Cl)[C@H](C)C1 ZINC000192820300 552974702 /nfs/dbraw/zinc/97/47/02/552974702.db2.gz UENWEAAKCSURBV-OCCSQVGLSA-N 1 0 390.933 2.708 20 0 GFADRO C[NH+](C)CCN1CCN(C(=O)c2cc3cc(Br)ccc3o2)CC1 ZINC000193087063 552983136 /nfs/dbraw/zinc/98/31/36/552983136.db2.gz GMZPKGGZKRERBG-UHFFFAOYSA-N 1 0 380.286 2.515 20 0 GFADRO C[NH2+]C[C@H](C)CNS(=O)(=O)c1cc(Br)c(Cl)cc1Cl ZINC000193278303 552988517 /nfs/dbraw/zinc/98/85/17/552988517.db2.gz UBZUXNOKCPBFJL-ZETCQYMHSA-N 1 0 390.130 2.890 20 0 GFADRO COc1cc(Cl)c(S(=O)(=O)N[C@@H](C[NH3+])C2CCCCC2)cc1OC ZINC000193282898 552988807 /nfs/dbraw/zinc/98/88/07/552988807.db2.gz WQVNCKJXMKSQOT-ZDUSSCGKSA-N 1 0 376.906 2.543 20 0 GFADRO CCC[NH2+]CCNS(=O)(=O)c1cc(C(F)(F)F)ccc1Br ZINC000193343519 552990574 /nfs/dbraw/zinc/99/05/74/552990574.db2.gz WLMKUCWPTQSIOB-UHFFFAOYSA-N 1 0 389.237 2.746 20 0 GFADRO Cc1ccc(S(=O)(=O)NCc2ccc3c(c2)C[NH2+]C3)cc1Br ZINC000193433574 552992654 /nfs/dbraw/zinc/99/26/54/552992654.db2.gz HBDPEQLXBBGEHW-UHFFFAOYSA-N 1 0 381.295 2.839 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+][C@@H]1C(=O)NCC[C@H]1C ZINC000193675017 552999656 /nfs/dbraw/zinc/99/96/56/552999656.db2.gz JAMVVJRWPUPTQY-BZNIZROVSA-N 1 0 377.286 2.557 20 0 GFADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)NC1CCOCC1 ZINC000193679739 552999779 /nfs/dbraw/zinc/99/97/79/552999779.db2.gz CGHWTHUHMAVCFK-UHFFFAOYSA-N 1 0 384.318 2.701 20 0 GFADRO COC[C@H]([NH2+]C[C@H](O)c1ccc(S(C)(=O)=O)cc1)c1ccc(Cl)cc1 ZINC000193668896 552999952 /nfs/dbraw/zinc/99/99/52/552999952.db2.gz IBMSQMVWXRLQFN-ROUUACIJSA-N 1 0 383.897 2.754 20 0 GFADRO O=C(Nc1ccc(Br)cc1F)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000193704793 553001008 /nfs/dbraw/zinc/00/10/08/553001008.db2.gz ZHXHTKNNDBBGGE-UHFFFAOYSA-N 1 0 398.276 2.517 20 0 GFADRO O=S(=O)(c1c(F)c(F)cc(F)c1F)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000193736275 553001553 /nfs/dbraw/zinc/00/15/53/553001553.db2.gz UDHPWQWHEOTPBD-NSHDSACASA-N 1 0 380.407 2.882 20 0 GFADRO O=S(=O)(C(F)F)N1CCC(C[NH2+]CCSCc2ccccc2)CC1 ZINC000193908679 553006343 /nfs/dbraw/zinc/00/63/43/553006343.db2.gz IGAWUZMARPRQDP-UHFFFAOYSA-N 1 0 378.510 2.774 20 0 GFADRO Cc1cc(S(=O)(=O)NCC[NH2+][C@H]2[C@H]3CCO[C@H]3C23CCCC3)c(C)s1 ZINC000194118526 553012257 /nfs/dbraw/zinc/01/22/57/553012257.db2.gz KSPPIHSRIJJRAE-HYVNUMGLSA-N 1 0 384.567 2.581 20 0 GFADRO O=C(CNC(=O)c1ccc(Cl)c(Cl)c1)NC1CC[NH+](CC2CC2)CC1 ZINC000194232477 553015494 /nfs/dbraw/zinc/01/54/94/553015494.db2.gz TUUJTEORECUJTA-UHFFFAOYSA-N 1 0 384.307 2.714 20 0 GFADRO Cc1c(C(=O)NC[C@@H]2CCC[N@H+]2C)cnn1-c1ccc(Br)cc1 ZINC000194709014 553027327 /nfs/dbraw/zinc/02/73/27/553027327.db2.gz DBHQQDLRMUZBFM-HNNXBMFYSA-N 1 0 377.286 2.767 20 0 GFADRO CCOc1cc(Br)c(CC(=O)NC[C@@H]2CCC[N@@H+]2C)cc1OCC ZINC000194724412 553027946 /nfs/dbraw/zinc/02/79/46/553027946.db2.gz GLQXBUIJALTZLX-AWEZNQCLSA-N 1 0 399.329 2.999 20 0 GFADRO C[C@H](NS(=O)(=O)c1cccc2nsnc21)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000194802057 553030520 /nfs/dbraw/zinc/03/05/20/553030520.db2.gz QUTPAWDQJKMYQP-QWHCGFSZSA-N 1 0 380.539 2.623 20 0 GFADRO [NH3+]CCc1nc(C(=O)NCC2(c3ccccc3Br)CC2)cs1 ZINC000194812263 553030945 /nfs/dbraw/zinc/03/09/45/553030945.db2.gz PWSLUOLVJJUXFB-UHFFFAOYSA-N 1 0 380.311 2.868 20 0 GFADRO COc1cccc2c1CCC[C@H]2[NH2+]C[C@@H](O)CS(=O)(=O)c1cccs1 ZINC000194936457 553034164 /nfs/dbraw/zinc/03/41/64/553034164.db2.gz FJRBPIMXGUTFGF-CZUORRHYSA-N 1 0 381.519 2.559 20 0 GFADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)NCc2sccc2Br)C1 ZINC000195205986 553041368 /nfs/dbraw/zinc/04/13/68/553041368.db2.gz LZBGYTLJHLDQLP-GFCCVEGCSA-N 1 0 390.347 2.667 20 0 GFADRO COCC[NH+]1CCC(NC(=O)[C@H]2C[C@@H]2c2ccc(Br)cc2)CC1 ZINC000195356452 553045992 /nfs/dbraw/zinc/04/59/92/553045992.db2.gz QZXVKTQBUQLGGP-SJORKVTESA-N 1 0 381.314 2.780 20 0 GFADRO CC[N@H+](CCC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1Cl)C(C)C ZINC000195527344 553050997 /nfs/dbraw/zinc/05/09/97/553050997.db2.gz DXHVLXOOZDKROI-UHFFFAOYSA-N 1 0 375.922 2.649 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)c2ccc(I)c(Cl)c2)C1 ZINC000226542638 553061333 /nfs/dbraw/zinc/06/13/33/553061333.db2.gz RUIDIHWUTJZCCP-WCBMZHEXSA-N 1 0 378.641 2.754 20 0 GFADRO C[C@@](C[NH3+])(NC(=O)c1cc(Cl)ccc1I)C1CC1 ZINC000226256809 553061712 /nfs/dbraw/zinc/06/17/12/553061712.db2.gz YSBSCOMSPMMGDF-ZDUSSCGKSA-N 1 0 378.641 2.802 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H]2CN(S(=O)(=O)c3ccc(Br)cc3Cl)C[C@H]21 ZINC000228541833 553063944 /nfs/dbraw/zinc/06/39/44/553063944.db2.gz XKHUCXBRCZRJHG-IRUJWGPZSA-N 1 0 393.734 2.850 20 0 GFADRO C[C@@H]1CCN(C(=O)c2cc(Cl)ccc2I)C[C@@H]1[NH3+] ZINC000235340801 553067751 /nfs/dbraw/zinc/06/77/51/553067751.db2.gz DMILUUOHOLEQPM-PELKAZGASA-N 1 0 378.641 2.754 20 0 GFADRO O=C(Nc1ccc(Br)c(I)c1)[C@H]1CC[NH2+]C1 ZINC000236620000 553069649 /nfs/dbraw/zinc/06/96/49/553069649.db2.gz MBYGRGAJDARTHK-ZETCQYMHSA-N 1 0 395.038 2.602 20 0 GFADRO CC(C)[C@](C)(C[NH3+])NC(=O)CCC[S@](=O)c1ccc(Br)cc1 ZINC000236630694 553069819 /nfs/dbraw/zinc/06/98/19/553069819.db2.gz KEIXTWVADHLKNP-AOMKIAJQSA-N 1 0 389.359 2.827 20 0 GFADRO O=C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cc(-c2ccc(Br)cc2)n[nH]1 ZINC000236627509 553069892 /nfs/dbraw/zinc/06/98/92/553069892.db2.gz MWWPWHVALHCCLD-PBWFPOADSA-N 1 0 375.270 2.852 20 0 GFADRO CC[C@@H](C)[C@H]([NH3+])C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(CC)CC)c1 ZINC000236975961 553073570 /nfs/dbraw/zinc/07/35/70/553073570.db2.gz OBARKGMVEJZFNM-ABAIWWIYSA-N 1 0 375.922 2.682 20 0 GFADRO C[NH2+]CC1CCN(C(=O)c2ccn(-c3cccc(Br)c3)n2)CC1 ZINC000237091558 553074154 /nfs/dbraw/zinc/07/41/54/553074154.db2.gz CZDQQWQHFWNDNK-UHFFFAOYSA-N 1 0 377.286 2.706 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000237094152 553074396 /nfs/dbraw/zinc/07/43/96/553074396.db2.gz JHKLJKBUFDMTEW-QGZVFWFLSA-N 1 0 382.302 2.687 20 0 GFADRO C[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)C1 ZINC000237242294 553076064 /nfs/dbraw/zinc/07/60/64/553076064.db2.gz BAHBQLRPMLBHQV-GXTWGEPZSA-N 1 0 384.307 2.804 20 0 GFADRO CSCC[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)NC[C@H](C)C[NH3+] ZINC000237286047 553076764 /nfs/dbraw/zinc/07/67/64/553076764.db2.gz ZARISUKHKFZINS-QMTHXVAHSA-N 1 0 392.352 2.556 20 0 GFADRO C[NH2+]C[C@@H]1CCCN(C(=O)c2cc(-c3ccc(Br)cc3)n[nH]2)C1 ZINC000237252506 553076801 /nfs/dbraw/zinc/07/68/01/553076801.db2.gz GVUMXDLKHMNXNB-LBPRGKRZSA-N 1 0 377.286 2.911 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)Cc1csc(NC(=O)c2cccs2)n1 ZINC000237357910 553076916 /nfs/dbraw/zinc/07/69/16/553076916.db2.gz TWWQLEVMJDXXJF-YPMHNXCESA-N 1 0 378.523 2.728 20 0 GFADRO COc1cc(CNC(=O)[C@@H]([NH3+])Cc2ccccc2)cc(Br)c1OC ZINC000237347140 553077022 /nfs/dbraw/zinc/07/70/22/553077022.db2.gz VWPTXVWHJMHYCB-HNNXBMFYSA-N 1 0 393.281 2.653 20 0 GFADRO C[NH2+]CCN(C)C(=O)c1nn(-c2ccc(Br)cc2)c2c1CCCC2 ZINC000237373230 553077286 /nfs/dbraw/zinc/07/72/86/553077286.db2.gz OHGRMSORIWZQHM-UHFFFAOYSA-N 1 0 391.313 2.805 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)c1cc(=O)c2cc(Br)ccc2[nH]1 ZINC000237441673 553077562 /nfs/dbraw/zinc/07/75/62/553077562.db2.gz GHIYTVJEELLYOQ-BONVTDFDSA-N 1 0 378.270 2.633 20 0 GFADRO C[C@@H](C[NH3+])CNC(=O)c1nn(-c2cccc(Br)c2)c2c1CCCC2 ZINC000237408435 553077662 /nfs/dbraw/zinc/07/76/62/553077662.db2.gz UTPHDOFJRZFXGV-LBPRGKRZSA-N 1 0 391.313 2.838 20 0 GFADRO C[C@@H]1C[C@H]([NH3+])CCN1C(=O)c1nn(-c2ccc(F)cc2)cc1Br ZINC000237429415 553077664 /nfs/dbraw/zinc/07/76/64/553077664.db2.gz DDOSEHKPCQFZOR-ZYHUDNBSSA-N 1 0 381.249 2.726 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)Cc2csc(NC(=O)c3cccs3)n2)C1 ZINC000237436377 553077771 /nfs/dbraw/zinc/07/77/71/553077771.db2.gz ZYVIDSGQSRXMEW-RYUDHWBXSA-N 1 0 378.523 2.585 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)c2cc(F)c(F)cc2I)C1 ZINC000237424061 553077816 /nfs/dbraw/zinc/07/78/16/553077816.db2.gz ZCSBHDZCIYXYJS-IUCAKERBSA-N 1 0 394.203 2.769 20 0 GFADRO C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)[C@@]2(C)CC[NH2+]C2)CC1 ZINC000237498237 553078078 /nfs/dbraw/zinc/07/80/78/553078078.db2.gz GEVKJGYCGBGOMZ-KSSFIOAISA-N 1 0 380.330 2.654 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000237568876 553079214 /nfs/dbraw/zinc/07/92/14/553079214.db2.gz UMBPWYVETAEUKW-KCXAZCMYSA-N 1 0 394.313 2.733 20 0 GFADRO C[C@@]1(C(=O)NC[C@H]2CCN(c3ccc(Br)cc3)C2)CCC[NH2+]C1 ZINC000237590130 553079276 /nfs/dbraw/zinc/07/92/76/553079276.db2.gz SNYVXZIFCPNGRH-RDTXWAMCSA-N 1 0 380.330 2.781 20 0 GFADRO C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CCNC(=O)c1ccco1 ZINC000237559180 553079341 /nfs/dbraw/zinc/07/93/41/553079341.db2.gz JQXLNSMZIUMTSE-LBPRGKRZSA-N 1 0 394.269 2.779 20 0 GFADRO C[C@H](Oc1ccc(Br)cc1)C(=O)N1CCC(OCCC[NH3+])CC1 ZINC000237594580 553079483 /nfs/dbraw/zinc/07/94/83/553079483.db2.gz MQVZYZUUTNZOJK-ZDUSSCGKSA-N 1 0 385.302 2.573 20 0 GFADRO C[C@H](NC(=O)[C@]1(C)CC[NH2+]C1)c1nc(-c2ccc(Br)cc2)no1 ZINC000237565288 553079504 /nfs/dbraw/zinc/07/95/04/553079504.db2.gz BCASMECUSUQUSO-MGPLVRAMSA-N 1 0 379.258 2.676 20 0 GFADRO C[C@H](Oc1cccc(Br)c1)C(=O)NCCC[NH2+]Cc1cccnc1 ZINC000237646958 553080083 /nfs/dbraw/zinc/08/00/83/553080083.db2.gz OTTDJURAOIFIAB-AWEZNQCLSA-N 1 0 392.297 2.908 20 0 GFADRO O=C(NC[C@H]1CCCN(C(=O)c2cc(Cl)ccc2Cl)C1)[C@H]1CCC[NH2+]1 ZINC000237713940 553081220 /nfs/dbraw/zinc/08/12/20/553081220.db2.gz UYNHXTFXMRQHQJ-MLGOLLRUSA-N 1 0 384.307 2.714 20 0 GFADRO [NH3+]CCCC(=O)N1CCC[C@@H]1c1nc(Cc2ccc(Br)cc2)no1 ZINC000237895618 553083366 /nfs/dbraw/zinc/08/33/66/553083366.db2.gz RVRFRMQXTYZEKJ-CQSZACIVSA-N 1 0 393.285 2.825 20 0 GFADRO [NH3+]C[C@H]1CCCC[C@H]1NC(=O)c1cc(=O)[nH]c2ccc(Br)cc21 ZINC000238016048 553085305 /nfs/dbraw/zinc/08/53/05/553085305.db2.gz OQGYKXQKAXLPAD-QMTHXVAHSA-N 1 0 378.270 2.950 20 0 GFADRO O=C(NCC[C@@H]1CCC[NH2+]C1)c1ccc(S(=O)(=O)c2ccccc2)s1 ZINC000238147110 553086244 /nfs/dbraw/zinc/08/62/44/553086244.db2.gz SYYYXDQLNDHTFW-AWEZNQCLSA-N 1 0 378.519 2.700 20 0 GFADRO CC(C)N1CC[C@H](NC(=O)[C@]2(O)CCSC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245567048 553092897 /nfs/dbraw/zinc/09/28/97/553092897.db2.gz RRQLMRQEFSYGCJ-JZXOWHBKSA-N 1 0 386.920 2.987 20 0 GFADRO C[C@H]1CN(C(=O)NC[C@H](c2cccs2)[NH+](C)C)CCN1CC(F)(F)F ZINC000245645661 553094297 /nfs/dbraw/zinc/09/42/97/553094297.db2.gz BFWDKOYTDSAIKB-QWHCGFSZSA-N 1 0 378.464 2.629 20 0 GFADRO O=S(=O)(NCC[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)c1cccc(Cl)c1 ZINC000245625969 553094333 /nfs/dbraw/zinc/09/43/33/553094333.db2.gz QKIGFYUCFJQVKG-GVDBMIGSSA-N 1 0 384.929 2.556 20 0 GFADRO NC(=O)[C@H]([NH2+][C@H]1CCO[C@@]2(CCSC2)C1)c1cccc(Br)c1 ZINC000245681398 553095093 /nfs/dbraw/zinc/09/50/93/553095093.db2.gz MQLRNFIHZCEQGY-LZWOXQAQSA-N 1 0 385.327 2.620 20 0 GFADRO C[C@H](O)C[N@@H+]1CCN(Cc2nc(-c3cccc(Br)c3)c[nH]2)C[C@H]1C ZINC000245717269 553095730 /nfs/dbraw/zinc/09/57/30/553095730.db2.gz HFMURAWTUQBDQI-KGLIPLIRSA-N 1 0 393.329 2.726 20 0 GFADRO CN1CCO[C@@H]([C@@H](NC(=O)NC2CCSCC2)c2ccc(Cl)cc2)C1 ZINC000245790377 553097101 /nfs/dbraw/zinc/09/71/01/553097101.db2.gz WZIUHOUXMVUKFY-SJORKVTESA-N 1 0 383.945 2.907 20 0 GFADRO CC[S@](=O)[C@H]1CCC[C@@H](NC(=O)N(CC[NH+](C)C)Cc2cccs2)C1 ZINC000245905849 553098859 /nfs/dbraw/zinc/09/88/59/553098859.db2.gz UPCTWGBVAPPAGZ-FZXICVGQSA-N 1 0 385.599 2.901 20 0 GFADRO C[C@@]1(O)CCC[N@H+](C[C@@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000245901268 553098894 /nfs/dbraw/zinc/09/88/94/553098894.db2.gz LEYIWOZWKRPGJU-IUODEOHRSA-N 1 0 378.694 2.689 20 0 GFADRO Cn1ccnc1C[C@H]1CCCN([C@@H](C(N)=O)c2cccc(Br)c2)C1 ZINC000245938097 553099494 /nfs/dbraw/zinc/09/94/94/553099494.db2.gz ZVYXLWRLXMMHAF-CXAGYDPISA-N 1 0 391.313 2.664 20 0 GFADRO Cn1ccnc1C[C@@H]1CCCN([C@@H](C(N)=O)c2cccc(Br)c2)C1 ZINC000245938103 553099618 /nfs/dbraw/zinc/09/96/18/553099618.db2.gz ZVYXLWRLXMMHAF-SUMWQHHRSA-N 1 0 391.313 2.664 20 0 GFADRO O[C@@H](C[N@@H+]1CCC[C@@H](c2nnc3n2CCC3)C1)c1cccc(Br)c1 ZINC000246176542 553104103 /nfs/dbraw/zinc/10/41/03/553104103.db2.gz UARKHQBIUWYLTM-ZBFHGGJFSA-N 1 0 391.313 2.900 20 0 GFADRO COc1cc(Cl)c(S(=O)(=O)N(C)[C@@H]2CC[N@H+](C)C[C@H]2C)cc1Cl ZINC000246501870 553108616 /nfs/dbraw/zinc/10/86/16/553108616.db2.gz XUVHITHGTGHVNC-ZWNOBZJWSA-N 1 0 381.325 2.963 20 0 GFADRO C[C@H](NC(=O)CN1CCS[C@@H]2COCC[C@@H]21)c1ccc(Br)cc1 ZINC000246747121 553112541 /nfs/dbraw/zinc/11/25/41/553112541.db2.gz HAJPHOYFRUXNAH-VBNZEHGJSA-N 1 0 399.354 2.833 20 0 GFADRO CC[S@](=O)[C@@H]1CCC[C@@H]([NH2+][C@H](C)c2ccc(S(C)(=O)=O)c(OC)c2)C1 ZINC000246868300 553114541 /nfs/dbraw/zinc/11/45/41/553114541.db2.gz CUNPGZUGKJIKSJ-JXZHMRIHSA-N 1 0 387.567 2.829 20 0 GFADRO CC[S@](=O)[C@@H]1CCC[C@@H]([NH2+][C@H](C)c2ccc(S(C)(=O)=O)c(F)c2)C1 ZINC000246967209 553116752 /nfs/dbraw/zinc/11/67/52/553116752.db2.gz IEWSNMARFOIDHW-XTMUYIOYSA-N 1 0 375.531 2.960 20 0 GFADRO C[N@@H+]1CCC[C@@H]2CN(S(=O)(=O)Cc3ccc(Br)cc3)CC[C@H]21 ZINC000247030340 553117404 /nfs/dbraw/zinc/11/74/04/553117404.db2.gz MFDPTVCGSKJKIH-GDBMZVCRSA-N 1 0 387.343 2.695 20 0 GFADRO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)[C@@H]2SCCc3sccc32)CC1 ZINC000247052007 553118092 /nfs/dbraw/zinc/11/80/92/553118092.db2.gz YPESBYCQHLUPQY-CRAIPNDOSA-N 1 0 379.595 2.707 20 0 GFADRO NC(=O)[C@@H](c1ccc(Br)cc1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000247096235 553118909 /nfs/dbraw/zinc/11/89/09/553118909.db2.gz ODZJDYDGPNFETR-IAGOWNOFSA-N 1 0 380.330 2.926 20 0 GFADRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1ccc(F)cc1I ZINC000247384564 553121956 /nfs/dbraw/zinc/12/19/56/553121956.db2.gz LROXFPDTQSHFPH-QMTHXVAHSA-N 1 0 390.240 2.843 20 0 GFADRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1ccc(F)cc1I ZINC000247384553 553122062 /nfs/dbraw/zinc/12/20/62/553122062.db2.gz LROXFPDTQSHFPH-IINYFYTJSA-N 1 0 390.240 2.843 20 0 GFADRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)CCC[S@](=O)c3ccc(Br)cc3)C[C@H]12 ZINC000248580498 553131194 /nfs/dbraw/zinc/13/11/94/553131194.db2.gz FFVNWNCTSDODSY-XGTLJRDWSA-N 1 0 399.354 2.533 20 0 GFADRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)c3ccc(I)c(Cl)c3)C[C@H]12 ZINC000248599525 553131347 /nfs/dbraw/zinc/13/13/47/553131347.db2.gz IUNBLQQAHKJOCR-GBIKHYSHSA-N 1 0 390.652 2.754 20 0 GFADRO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000248613734 553131745 /nfs/dbraw/zinc/13/17/45/553131745.db2.gz LMBXVYTXTWUEEN-LEWSCRJBSA-N 1 0 391.265 2.673 20 0 GFADRO C[C@@H]1CC[N@H+](C[C@@H](O)COc2ccc(Cl)cc2Br)[C@H]1CO ZINC000249008243 553137970 /nfs/dbraw/zinc/13/79/70/553137970.db2.gz ZSWAGQHXUKHMSJ-QKCSRTOESA-N 1 0 378.694 2.545 20 0 GFADRO Cc1cccc(NC(=O)C(=O)N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)c1Br ZINC000249060689 553138417 /nfs/dbraw/zinc/13/84/17/553138417.db2.gz YKHGAROEWGBOGO-TZMCWYRMSA-N 1 0 396.329 2.933 20 0 GFADRO Cc1cc(Br)cc(NC(=O)C(=O)NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000249108617 553139397 /nfs/dbraw/zinc/13/93/97/553139397.db2.gz AKGFUXMPJRAOCU-OCCSQVGLSA-N 1 0 396.329 2.933 20 0 GFADRO COCCO[C@@H]1CC[N@@H+]([C@H](C)C(=O)N(C)Cc2ccc(Br)cc2)C1 ZINC000249296664 553141656 /nfs/dbraw/zinc/14/16/56/553141656.db2.gz BJTMRUUMPMNECT-RHSMWYFYSA-N 1 0 399.329 2.533 20 0 GFADRO [NH3+][C@@H]1CC[C@H]2CN(S(=O)(=O)c3cc(Cl)ccc3OCCC3CC3)C[C@@H]12 ZINC000249428495 553142912 /nfs/dbraw/zinc/14/29/12/553142912.db2.gz DSPOKILGKFUCLX-NUEKZKHPSA-N 1 0 384.929 2.877 20 0 GFADRO COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N(C)CC[C@H]([NH3+])C(C)C ZINC000249550910 553144155 /nfs/dbraw/zinc/14/41/55/553144155.db2.gz KZPPSOGJQLQNRK-HIFRSBDPSA-N 1 0 392.949 2.748 20 0 GFADRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)[C@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1 ZINC000249875382 553146693 /nfs/dbraw/zinc/14/66/93/553146693.db2.gz GTSIPTBDOCCCDK-XFBWCDHKSA-N 1 0 384.307 2.712 20 0 GFADRO COc1cc([C@H](C)[NH2+][C@@H]2C[C@@H]3OCCC[C@H]23)ccc1S(=O)(=O)C(F)F ZINC000251593213 553148342 /nfs/dbraw/zinc/14/83/42/553148342.db2.gz FOYGFCIWOPGIME-ASEORRQLSA-N 1 0 375.437 2.910 20 0 GFADRO Brc1cnc(CN2CC[C@H]3C[NH2+]C[C@@H]3C2)c(Br)c1 ZINC000261559230 553153416 /nfs/dbraw/zinc/15/34/16/553153416.db2.gz DQSSHQGJXLZXHV-VHSXEESVSA-N 1 0 375.108 2.648 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCCCN1S(=O)(=O)c1ccc(Cl)cc1Br ZINC000261601105 553153796 /nfs/dbraw/zinc/15/37/96/553153796.db2.gz AATIXQXXCATXTG-JOYOIKCWSA-N 1 0 381.723 2.993 20 0 GFADRO [NH3+]C[C@@H]1CN(S(=O)(=O)Cc2ccc(F)c(Cl)c2)C[C@H]1c1ccccc1 ZINC000261630057 553154689 /nfs/dbraw/zinc/15/46/89/553154689.db2.gz DMJWZVZPUDMLPJ-CVEARBPZSA-N 1 0 382.888 2.983 20 0 GFADRO Cn1ccnc1[C@@H]1C[NH2+]CCN1CCC(=O)Nc1c(Cl)cccc1Cl ZINC000261664431 553155895 /nfs/dbraw/zinc/15/58/95/553155895.db2.gz BHYNBNPFUQNNHH-AWEZNQCLSA-N 1 0 382.295 2.702 20 0 GFADRO CCN(CC)S(=O)(=O)c1cc(-c2nc(C[C@H](C)[NH2+]C)no2)ccc1Cl ZINC000261660071 553155936 /nfs/dbraw/zinc/15/59/36/553155936.db2.gz FPFGQJDBNSSEBK-NSHDSACASA-N 1 0 386.905 2.571 20 0 GFADRO C[C@@H](NC(=O)CC[C@H]1CC[NH2+]C1)c1cc2c(cc1Br)OCCO2 ZINC000261668775 553156167 /nfs/dbraw/zinc/15/61/67/553156167.db2.gz AKNCYINNFBCXNY-NEPJUHHUSA-N 1 0 383.286 2.787 20 0 GFADRO COC(=O)C[C@@H](NC(=O)C[C@@H]1CCC[C@H]1[NH3+])c1ccc(Br)cc1 ZINC000261724943 553157287 /nfs/dbraw/zinc/15/72/87/553157287.db2.gz KNABYLCXJDBGHP-NWANDNLSSA-N 1 0 383.286 2.687 20 0 GFADRO O=C(c1ccc2cc(Br)ccc2c1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000261749993 553157823 /nfs/dbraw/zinc/15/78/23/553157823.db2.gz URTRNVAIMTZZES-SFHVURJKSA-N 1 0 388.309 2.722 20 0 GFADRO O=C(CC[C@H]1CC[NH2+]C1)N1CCN(Cc2ccc(Br)s2)CC1 ZINC000261790229 553158993 /nfs/dbraw/zinc/15/89/93/553158993.db2.gz CKUCWERSBQQRKR-ZDUSSCGKSA-N 1 0 386.359 2.545 20 0 GFADRO CC(=O)N[C@@H](Cc1nc(C2([NH3+])CCCC2)no1)c1ccc(Br)cc1 ZINC000261783477 553159159 /nfs/dbraw/zinc/15/91/59/553159159.db2.gz NYCCIEYFIKLKTD-AWEZNQCLSA-N 1 0 393.285 2.980 20 0 GFADRO O=C(CC[C@@H]1CC[NH2+]C1)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000261783747 553159414 /nfs/dbraw/zinc/15/94/14/553159414.db2.gz BSGHURNCOJEDMN-CYBMUJFWSA-N 1 0 384.307 2.668 20 0 GFADRO Cn1ccnc1[C@@H]1C[NH2+]CCN1CCC(=O)Nc1cc(Cl)ccc1Cl ZINC000261798156 553159924 /nfs/dbraw/zinc/15/99/24/553159924.db2.gz RDHKMAQKIOHHQE-HNNXBMFYSA-N 1 0 382.295 2.702 20 0 GFADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@](C)([NH3+])c2ccc(Br)cc2)C1 ZINC000261797499 553159969 /nfs/dbraw/zinc/15/99/69/553159969.db2.gz QPSQEESFYHXWPI-KSSFIOAISA-N 1 0 382.346 2.813 20 0 GFADRO COC(=O)c1cc(CNC(=O)[C@@](C)([NH3+])c2ccc(Br)cc2)oc1C ZINC000261884941 553161864 /nfs/dbraw/zinc/16/18/64/553161864.db2.gz ZNJBPOPEFQZXNA-KRWDZBQOSA-N 1 0 395.253 2.627 20 0 GFADRO CC[C@@H](Sc1ccccc1)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000261903812 553162057 /nfs/dbraw/zinc/16/20/57/553162057.db2.gz SAUYVONBNYVALE-CABCVRRESA-N 1 0 375.460 2.510 20 0 GFADRO O=C(C[C@H]1Sc2ccc(Cl)cc2NC1=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000261892998 553162288 /nfs/dbraw/zinc/16/22/88/553162288.db2.gz VJTCBZJCMCUZNO-BFQNTYOBSA-N 1 0 379.913 2.601 20 0 GFADRO C[C@@H]1CCN(C(=O)c2cc(F)c(F)cc2I)[C@H](C[NH3+])C1 ZINC000261903587 553162302 /nfs/dbraw/zinc/16/23/02/553162302.db2.gz WOQZDMDYRDXPMK-BDAKNGLRSA-N 1 0 394.203 2.769 20 0 GFADRO COc1cc(NC(=O)[C@]2([NH3+])[C@H]3CCCO[C@@H]3C2(C)C)ccc1Br ZINC000261937182 553162941 /nfs/dbraw/zinc/16/29/41/553162941.db2.gz UCPXWXLZAFBJGM-PZSREKOKSA-N 1 0 383.286 2.929 20 0 GFADRO [NH3+]CCC(=O)NC[C@@H]1CCCCN1Cc1ccc(Br)c(Cl)c1 ZINC000261946438 553163320 /nfs/dbraw/zinc/16/33/20/553163320.db2.gz FJFQWHDWQYEXGG-ZDUSSCGKSA-N 1 0 388.737 2.922 20 0 GFADRO C[C@@]1(C[NH3+])CCN(C(=O)CCc2nc(-c3cc(Br)cs3)no2)C1 ZINC000261959244 553163493 /nfs/dbraw/zinc/16/34/93/553163493.db2.gz KTPLMFBAYUOCNX-HNNXBMFYSA-N 1 0 399.314 2.691 20 0 GFADRO O=C(c1csc(-c2ccc(Cl)cc2)n1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000262007273 553164074 /nfs/dbraw/zinc/16/40/74/553164074.db2.gz HAAFXZRHFQFPIT-HNNXBMFYSA-N 1 0 376.913 2.583 20 0 GFADRO COc1ccc(CCNC(=O)[C@](C)([NH3+])c2ccc(Br)cc2)cc1 ZINC000261994298 553164147 /nfs/dbraw/zinc/16/41/47/553164147.db2.gz SAKCFFBDZKLWHF-GOSISDBHSA-N 1 0 377.282 2.991 20 0 GFADRO O=C(N1CCc2c(Cl)c(Cl)ccc2C1)C1(n2cccn2)CC[NH2+]CC1 ZINC000262014710 553164868 /nfs/dbraw/zinc/16/48/68/553164868.db2.gz VYBPTSPLNOJDTH-UHFFFAOYSA-N 1 0 379.291 2.854 20 0 GFADRO C[NH2+][C@H](C(=O)N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1)c1cnn(C)c1 ZINC000262182511 553166993 /nfs/dbraw/zinc/16/69/93/553166993.db2.gz LEBORIGSRMUFKC-HOTGVXAUSA-N 1 0 383.279 2.588 20 0 GFADRO CC[NH2+][C@H](C)CNC(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000262429979 553170986 /nfs/dbraw/zinc/17/09/86/553170986.db2.gz DVJLSZDTIMDZDE-TZMCWYRMSA-N 1 0 386.323 2.960 20 0 GFADRO O=C(CCNC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1)Nc1ccc(Br)cc1 ZINC000262459788 553171381 /nfs/dbraw/zinc/17/13/81/553171381.db2.gz VQBVOEIAILATKG-WQVCFCJDSA-N 1 0 394.313 2.815 20 0 GFADRO CCOc1ccc(Br)cc1CN(C(=O)C[C@@H]1COCC[NH2+]1)C1CC1 ZINC000262575767 553172342 /nfs/dbraw/zinc/17/23/42/553172342.db2.gz SYTCAGPGNGLVRM-OAHLLOKOSA-N 1 0 397.313 2.717 20 0 GFADRO Cc1nc(C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)nn1-c1c(Cl)cccc1Cl ZINC000262616893 553172818 /nfs/dbraw/zinc/17/28/18/553172818.db2.gz GQLPSSRHXYYMAZ-NEPJUHHUSA-N 1 0 380.279 2.849 20 0 GFADRO CC(C)Sc1ccc([C@@H](C)NC(=O)C2(S(C)(=O)=O)CC[NH2+]CC2)cc1 ZINC000262611547 553173087 /nfs/dbraw/zinc/17/30/87/553173087.db2.gz YQINRXWSEUMVSZ-CQSZACIVSA-N 1 0 384.567 2.531 20 0 GFADRO O=C(NCC[C@H]1CC[NH2+]C1)c1ccc(I)cc1Cl ZINC000262592044 553173100 /nfs/dbraw/zinc/17/31/00/553173100.db2.gz RUVKSVMWHOVLRP-SECBINFHSA-N 1 0 378.641 2.674 20 0 GFADRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)[C@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 ZINC000262701882 553174000 /nfs/dbraw/zinc/17/40/00/553174000.db2.gz AWRHSKNRSGEWRM-XFBWCDHKSA-N 1 0 384.307 2.712 20 0 GFADRO O=C(NCCc1ccc(Br)cc1)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000262715963 553174668 /nfs/dbraw/zinc/17/46/68/553174668.db2.gz GRTODYAEZJVRRV-HNNXBMFYSA-N 1 0 377.286 2.543 20 0 GFADRO C[C@@H]1C[C@H](NS(=O)(=O)c2cc(Cl)c(Br)cc2F)CC[NH2+]1 ZINC000262811749 553176085 /nfs/dbraw/zinc/17/60/85/553176085.db2.gz YGMGPCMWWFMGHM-HTQZYQBOSA-N 1 0 385.686 2.660 20 0 GFADRO [NH3+]Cc1cc(C(=O)NC[C@H]2CCN(c3ccc(Br)cc3)C2)co1 ZINC000262792683 553176321 /nfs/dbraw/zinc/17/63/21/553176321.db2.gz ONDQKDRESKJPFV-GFCCVEGCSA-N 1 0 378.270 2.757 20 0 GFADRO CO[C@@H](C[NH3+])CC(=O)N1CCC(COc2cc(Cl)cc(Cl)c2)CC1 ZINC000262809253 553176373 /nfs/dbraw/zinc/17/63/73/553176373.db2.gz TXOFFKZGPBGSDL-MRXNPFEDSA-N 1 0 375.296 2.975 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)[C@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)CC[NH2+]1 ZINC000262810148 553176409 /nfs/dbraw/zinc/17/64/09/553176409.db2.gz FUTJKHXAQRWDPB-PVXIVEMSSA-N 1 0 384.307 2.855 20 0 GFADRO C[C@@H](Cc1cccc(Br)c1)NC(=O)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000262858348 553177365 /nfs/dbraw/zinc/17/73/65/553177365.db2.gz WDDYOXJMQVBHQJ-XJKSGUPXSA-N 1 0 391.313 2.931 20 0 GFADRO C[C@@]1([NH3+])CCCC[C@@H]1C(=O)NCCc1ccc(I)s1 ZINC000262960133 553179684 /nfs/dbraw/zinc/17/96/84/553179684.db2.gz KQTHDLZCPJOEKM-BXUZGUMPSA-N 1 0 392.306 2.919 20 0 GFADRO C[C@@]1([NH3+])CCCC[C@@H]1C(=O)NCc1nnc(-c2ccc(Br)cc2)[nH]1 ZINC000263234382 553184906 /nfs/dbraw/zinc/18/49/06/553184906.db2.gz NVFUCMSABCEFRF-CXAGYDPISA-N 1 0 392.301 2.758 20 0 GFADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)c3csc(I)c3)C[C@@H]21 ZINC000368588153 563874512 /nfs/dbraw/zinc/87/45/12/563874512.db2.gz FLVDUWXXNIUKMB-KOLCDFICSA-N 1 0 376.263 2.519 20 0 GFADRO Cc1cc(CNC(=O)N[C@H]2CC[NH2+][C@@H](C)C2)ccc1I ZINC000418144016 563899840 /nfs/dbraw/zinc/89/98/40/563899840.db2.gz RZKVHCFWGJPELE-AAEUAGOBSA-N 1 0 387.265 2.539 20 0 GFADRO CC[NH+](CC)[C@H](C)CNC(=O)N[C@H](CCO)c1ccccc1Br ZINC000472485811 564224318 /nfs/dbraw/zinc/22/43/18/564224318.db2.gz OFYFZIABCZXMII-CZUORRHYSA-N 1 0 386.334 2.902 20 0 GFADRO CCN(CCO)CC[NH2+][C@@H](C)CCc1ccc(I)cc1 ZINC000474936855 564294658 /nfs/dbraw/zinc/29/46/58/564294658.db2.gz YHSRHJAUVOAWNJ-AWEZNQCLSA-N 1 0 390.309 2.516 20 0 GFADRO C[C@H]([NH2+]CC(=O)Nc1ccccc1I)[C@@H]1CCCOC1 ZINC000542577257 564317854 /nfs/dbraw/zinc/31/78/54/564317854.db2.gz YXBMZSIWRRUXQC-NWDGAFQWSA-N 1 0 388.249 2.634 20 0 GFADRO C[NH2+][C@H](CC(C)(C)C)C(=O)NCC(=O)Nc1ccc(Br)c(C)c1 ZINC000566794576 564343971 /nfs/dbraw/zinc/34/39/71/564343971.db2.gz LVMDDXYWLKZGRI-CQSZACIVSA-N 1 0 384.318 2.836 20 0 GFADRO CC(C)c1noc(CCC[NH2+]Cc2ncc(I)s2)n1 ZINC000512113458 564392180 /nfs/dbraw/zinc/39/21/80/564392180.db2.gz CYEMREIYKQWFRU-UHFFFAOYSA-N 1 0 392.266 2.977 20 0 GFADRO CC[C@@H](C[C@@H](C)CO)[NH2+]CCS(=O)(=O)c1cccc(Br)c1 ZINC000569222910 564454508 /nfs/dbraw/zinc/45/45/08/564454508.db2.gz QTDNGPGEBHOPIB-OCCSQVGLSA-N 1 0 378.332 2.610 20 0 GFADRO O=C1NCCC[C@H]1C[NH2+]Cc1ccc(Br)c(Br)c1 ZINC000657283863 565095292 /nfs/dbraw/zinc/09/52/92/565095292.db2.gz JWNUQESNBLFDCP-JTQLQIEISA-N 1 0 376.092 2.827 20 0 GFADRO COCCN(Cc1cc(Br)cs1)C(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000418587184 563220956 /nfs/dbraw/zinc/22/09/56/563220956.db2.gz GKIVQUYBHWSRBW-BXUZGUMPSA-N 1 0 390.347 2.667 20 0 GFADRO O=S1(=O)CCC[C@H](C[NH2+][C@H]2CCc3c2ccc(F)c3Br)C1 ZINC000296047989 563272073 /nfs/dbraw/zinc/27/20/73/563272073.db2.gz OKHAUCGRSVMZPQ-YGRLFVJLSA-N 1 0 376.291 2.990 20 0 GFADRO [NH3+]C[C@@H](NC(=O)c1ncc(Br)cc1Br)C1CCCC1 ZINC000423961318 563365451 /nfs/dbraw/zinc/36/54/51/563365451.db2.gz OAWYYGWNZZASOR-LLVKDONJSA-N 1 0 391.107 2.854 20 0 GFADRO O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(F)cc1I ZINC000300403124 563391798 /nfs/dbraw/zinc/39/17/98/563391798.db2.gz ZSIRARULHSZLAN-RYUDHWBXSA-N 1 0 388.224 2.787 20 0 GFADRO COc1cc(C[NH2+][C@H](C)C(=O)NCCF)cc(Br)c1OC(F)F ZINC000282723163 563421805 /nfs/dbraw/zinc/42/18/05/563421805.db2.gz QLQLHCLDDTWJQQ-MRVPVSSYSA-N 1 0 399.207 2.623 20 0 GFADRO Cc1cccc(C(=O)N(C)[C@H]2C[NH+]3CCC2CC3)c1I ZINC000312290580 563435811 /nfs/dbraw/zinc/43/58/11/563435811.db2.gz AXKWWZWFFYDFMC-AWEZNQCLSA-N 1 0 384.261 2.766 20 0 GFADRO CCCS(=O)(=O)N1CCC([NH2+]Cc2cscc2Br)CC1 ZINC000312449998 563436843 /nfs/dbraw/zinc/43/68/43/563436843.db2.gz WYACSZAFWUTLMI-UHFFFAOYSA-N 1 0 381.361 2.804 20 0 GFADRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NCCc1c[nH]c2cccc(Br)c12 ZINC000418197972 563213092 /nfs/dbraw/zinc/21/30/92/563213092.db2.gz KPSKFWPBDFVSTG-IAQYHMDHSA-N 1 0 379.302 2.770 20 0 GFADRO CO[C@H]1CCN(C(=O)N[C@@H](C)c2ccc(Br)cc2F)[C@@H](C[NH3+])C1 ZINC000418209607 563213556 /nfs/dbraw/zinc/21/35/56/563213556.db2.gz FDOCFEGVEVKXDD-UHTWSYAYSA-N 1 0 388.281 2.797 20 0 GFADRO Cc1cc(N2CC[C@H]([NH2+][C@@H]3CCc4sc(Br)cc43)C2=O)n(C)n1 ZINC000294723038 563214375 /nfs/dbraw/zinc/21/43/75/563214375.db2.gz KEIKYFGRAWGNHX-NEPJUHHUSA-N 1 0 395.326 2.935 20 0 GFADRO C[C@@H](NC(=O)NCc1ccc([C@H](C)[NH3+])cc1)c1ncc(Br)cn1 ZINC000418223470 563214351 /nfs/dbraw/zinc/21/43/51/563214351.db2.gz YYHSNIYDCRSGGT-WDEREUQCSA-N 1 0 378.274 2.819 20 0 GFADRO [NH3+]C[C@H]1CC[C@H](CNC(=O)NCc2nc3c(cccc3Br)[nH]2)CC1 ZINC000418271426 563214986 /nfs/dbraw/zinc/21/49/86/563214986.db2.gz TUYRMMXMOUACKF-HAQNSBGRSA-N 1 0 394.317 2.890 20 0 GFADRO O=C(N[C@@H]1CCc2c1ccc(F)c2Br)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000418250812 563215092 /nfs/dbraw/zinc/21/50/92/563215092.db2.gz LRHWROGRTZHWEE-FIXISWKDSA-N 1 0 382.277 2.826 20 0 GFADRO CC(C)(Cc1ccc(Cl)cc1Cl)NC(=O)NCCCN1CC[NH2+]CC1 ZINC000418289631 563215447 /nfs/dbraw/zinc/21/54/47/563215447.db2.gz DHEVEDFPYWINQS-UHFFFAOYSA-N 1 0 387.355 2.909 20 0 GFADRO [NH3+]C1(CNC(=O)NC[C@H](CO)Cc2ccc(Br)cc2)CCCCC1 ZINC000418311392 563215468 /nfs/dbraw/zinc/21/54/68/563215468.db2.gz FNCPEMYYSFQXMS-OAHLLOKOSA-N 1 0 398.345 2.561 20 0 GFADRO [NH3+]C1(CNC(=O)N[C@H](CO)c2cccc(Br)c2)CCCCCC1 ZINC000418284370 563215547 /nfs/dbraw/zinc/21/55/47/563215547.db2.gz MNDWPCGBRITBPN-OAHLLOKOSA-N 1 0 384.318 2.833 20 0 GFADRO CC(C)C[C@@H](C[NH3+])NC(=O)N1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000418422324 563217353 /nfs/dbraw/zinc/21/73/53/563217353.db2.gz AMWNVKMUCGYENR-HOTGVXAUSA-N 1 0 384.318 2.905 20 0 GFADRO CC(C)([NH3+])CNC(=O)N1CCC[C@@H]1c1ccc(I)cc1 ZINC000418434450 563218058 /nfs/dbraw/zinc/21/80/58/563218058.db2.gz VMYAQBOYUGNUOJ-CYBMUJFWSA-N 1 0 387.265 2.875 20 0 GFADRO C[C@H](C[NH3+])CNC(=O)N1CCC[C@H]1c1ccccc1I ZINC000418498408 563218561 /nfs/dbraw/zinc/21/85/61/563218561.db2.gz XELNAVWMJCRUOZ-RISCZKNCSA-N 1 0 387.265 2.733 20 0 GFADRO [NH3+]CCCCNC(=O)N1CCC(C(=O)Nc2cccc(Br)c2)CC1 ZINC000418514546 563219195 /nfs/dbraw/zinc/21/91/95/563219195.db2.gz UXFOTYCJMAKXKJ-UHFFFAOYSA-N 1 0 397.317 2.548 20 0 GFADRO COc1ccc(Br)cc1CN(C)C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000418521892 563219206 /nfs/dbraw/zinc/21/92/06/563219206.db2.gz RZIMKVUGCQJEFA-QGZVFWFLSA-N 1 0 384.318 2.989 20 0 GFADRO C[C@@H](CC[NH3+])NC(=O)N1CCN(c2ccc(C(F)(F)F)cc2Cl)CC1 ZINC000418516037 563219551 /nfs/dbraw/zinc/21/95/51/563219551.db2.gz CAFOSQZAVJWYEU-NSHDSACASA-N 1 0 378.826 2.928 20 0 GFADRO Cc1nn(C)c(CN2CCC[C@@H]2C[NH+]2C[C@@H](C)O[C@H](C)C2)c1Br ZINC000369627599 563219796 /nfs/dbraw/zinc/21/97/96/563219796.db2.gz GFURRUTVRADLBA-UMVBOHGHSA-N 1 0 385.350 2.565 20 0 GFADRO CCN(CCOc1ccc(Br)cc1)C(=O)NCC1=CC[NH2+]CC1 ZINC000418544400 563220228 /nfs/dbraw/zinc/22/02/28/563220228.db2.gz URRNCAWJHOLYLK-UHFFFAOYSA-N 1 0 382.302 2.779 20 0 GFADRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N1CCO[C@@H](c2cccc(Br)c2)C1 ZINC000418582654 563220266 /nfs/dbraw/zinc/22/02/66/563220266.db2.gz AFJAUEUSIMMVIP-DAXOMENPSA-N 1 0 382.302 2.530 20 0 GFADRO C[C@H](CC[NH3+])NC(=O)N[C@H](CO)c1ccc(Br)cc1C(F)(F)F ZINC000418563610 563220323 /nfs/dbraw/zinc/22/03/23/563220323.db2.gz SXPCSJFHGQYKLW-PRHODGIISA-N 1 0 398.223 2.538 20 0 GFADRO COCCC[N@@H+]1CCCN(C(=O)NCc2cc(Br)cs2)CC1 ZINC000369658480 563220483 /nfs/dbraw/zinc/22/04/83/563220483.db2.gz DOZFIZYVOVIXBS-UHFFFAOYSA-N 1 0 390.347 2.764 20 0 GFADRO COc1cc[nH+]c(N2CCN(C(=O)c3nc(Br)sc3C)CC2)c1 ZINC000277674278 563220658 /nfs/dbraw/zinc/22/06/58/563220658.db2.gz MOXDFIOVZFHRRJ-UHFFFAOYSA-N 1 0 397.298 2.580 20 0 GFADRO CC[NH2+][C@H](C)CNC(=O)N1CCO[C@H](c2ccc(Br)cc2)[C@@H]1C ZINC000418595860 563220815 /nfs/dbraw/zinc/22/08/15/563220815.db2.gz XIIUSTDTSHRGFT-WWGRRREGSA-N 1 0 384.318 2.919 20 0 GFADRO COCCN(Cc1cc(Br)cs1)C(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000418586381 563220907 /nfs/dbraw/zinc/22/09/07/563220907.db2.gz ZPSMZDMPJCHFQP-FZMZJTMJSA-N 1 0 390.347 2.667 20 0 GFADRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N[C@H](CO)c1ccc(Cl)cc1C(F)(F)F ZINC000418603643 563220999 /nfs/dbraw/zinc/22/09/99/563220999.db2.gz WUEQJMGOHHKMJX-OWYVNGRQSA-N 1 0 379.810 2.689 20 0 GFADRO CO[C@@H](C[NH3+])CC(=O)N1CCCC[C@@H]1C(=O)Nc1cc(Cl)ccc1Cl ZINC000369663398 563221255 /nfs/dbraw/zinc/22/12/55/563221255.db2.gz LFBJDDLIDUGACS-IUODEOHRSA-N 1 0 388.295 2.677 20 0 GFADRO CCn1nc(C)c(S(=O)(=O)NC[C@@H]2CC[N@H+](C)[C@H]2c2cccs2)c1C ZINC000369674056 563221260 /nfs/dbraw/zinc/22/12/60/563221260.db2.gz MWKMJCWDKHMURH-GOEBONIOSA-N 1 0 382.555 2.553 20 0 GFADRO O=C(NCCC1=CC[NH2+]CC1)N1CCc2cc(Br)cc(F)c2C1 ZINC000418631620 563221691 /nfs/dbraw/zinc/22/16/91/563221691.db2.gz BHCMENARGISKTH-UHFFFAOYSA-N 1 0 382.277 2.966 20 0 GFADRO C[C@H]([NH3+])[C@H](C)NC(=O)N1CCC(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000418691268 563221919 /nfs/dbraw/zinc/22/19/19/563221919.db2.gz DKVLJIJFUAFBJG-RYUDHWBXSA-N 1 0 397.317 2.545 20 0 GFADRO [NH3+]C[C@H]1CC[C@H](CNC(=O)N[C@H](CCO)c2ccccc2Br)CC1 ZINC000418676718 563222125 /nfs/dbraw/zinc/22/21/25/563222125.db2.gz ZHRYXMWNYBNIKD-CKEIUWERSA-N 1 0 398.345 2.937 20 0 GFADRO CC[C@H]([NH3+])CNC(=O)N1CCN([C@H](C)c2ccc(Br)cc2)CC1 ZINC000418715001 563222592 /nfs/dbraw/zinc/22/25/92/563222592.db2.gz QPXSVSYUTKTGSN-CJNGLKHVSA-N 1 0 383.334 2.575 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H](CNC(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)C1 ZINC000418718136 563223422 /nfs/dbraw/zinc/22/34/22/563223422.db2.gz JZIYWOJCJGWCLN-TZMCWYRMSA-N 1 0 386.327 2.738 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H](CNC(=O)N2CCC(n3cc(Br)cn3)CC2)C1 ZINC000418740025 563223716 /nfs/dbraw/zinc/22/37/16/563223716.db2.gz NFHZCDPZLCWBPX-TZMCWYRMSA-N 1 0 384.322 2.510 20 0 GFADRO CCOc1cc(C[NH2+][C@H]2CCCNC2=O)cc(Br)c1OC(F)F ZINC000294968322 563223783 /nfs/dbraw/zinc/22/37/83/563223783.db2.gz FKCAEUAXXDWXTD-NSHDSACASA-N 1 0 393.228 2.817 20 0 GFADRO OC1CCN(CC[NH2+]Cc2cc(Br)cc(Br)c2)CC1 ZINC000294970103 563224002 /nfs/dbraw/zinc/22/40/02/563224002.db2.gz XIFZRPFQSKSKBT-UHFFFAOYSA-N 1 0 392.135 2.758 20 0 GFADRO CC(C)[C@H]([NH3+])CNC(=O)C(=O)N[C@H](c1cccs1)c1ccc(Cl)cc1 ZINC000418753572 563224430 /nfs/dbraw/zinc/22/44/30/563224430.db2.gz AWWZWLPSZFUTMZ-ZBFHGGJFSA-N 1 0 379.913 2.707 20 0 GFADRO Cc1cc(Br)ccc1C(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000369765181 563224445 /nfs/dbraw/zinc/22/44/45/563224445.db2.gz FCAXBNDHMWJHQF-YJBOKZPZSA-N 1 0 394.357 2.856 20 0 GFADRO Cc1cc([C@@H]2CCCN2C(=O)NC[C@@H]2C[NH2+]CCO2)ccc1Br ZINC000418766237 563225121 /nfs/dbraw/zinc/22/51/21/563225121.db2.gz MTJPIEWHQOJSOJ-HOCLYGCPSA-N 1 0 382.302 2.592 20 0 GFADRO [NH3+]C[C@@H](NC(=O)C(=O)NCCc1cccc(Cl)c1Cl)C1CCCCC1 ZINC000418764991 563225333 /nfs/dbraw/zinc/22/53/33/563225333.db2.gz OYMVWZAATJIGHC-OAHLLOKOSA-N 1 0 386.323 2.676 20 0 GFADRO CCOC1CC(C[NH2+]Cc2sccc2Br)(N2CCOCC2)C1 ZINC000277787959 563226164 /nfs/dbraw/zinc/22/61/64/563226164.db2.gz VXPWCEWFPCABLE-UHFFFAOYSA-N 1 0 389.359 2.870 20 0 GFADRO C[C@H]1CCCN(C(=O)C(=O)N[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)[C@@H]1C[NH3+] ZINC000418816989 563226427 /nfs/dbraw/zinc/22/64/27/563226427.db2.gz MBKPOJNMZJJIJT-GDJRKYJOSA-N 1 0 384.307 2.551 20 0 GFADRO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N[C@H](C)c1cc(F)c(Cl)cc1Cl ZINC000418848514 563227511 /nfs/dbraw/zinc/22/75/11/563227511.db2.gz LMNUTAOLOSVOHU-ZJUUUORDSA-N 1 0 376.259 2.520 20 0 GFADRO C[C@H](NC(=O)C(=O)N[C@@H]1CC[C@H](C[NH3+])C1)c1cc(F)c(Cl)cc1Cl ZINC000418852563 563228303 /nfs/dbraw/zinc/22/83/03/563228303.db2.gz RCUHSXXAQAYIEX-LPEHRKFASA-N 1 0 376.259 2.553 20 0 GFADRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)N[C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000418896718 563229401 /nfs/dbraw/zinc/22/94/01/563229401.db2.gz VZUQGPANTOIXPH-XCCSTKFXSA-N 1 0 384.307 2.551 20 0 GFADRO Cn1cc([C@H]2C[N@H+](Cc3cccc(Br)n3)CC23CCOCC3)cn1 ZINC000295128872 563230423 /nfs/dbraw/zinc/23/04/23/563230423.db2.gz KSMFJGSQOJBORJ-MRXNPFEDSA-N 1 0 391.313 2.974 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)C[N@H+]1CC[C@H](Cc2cnn(C)c2)C1 ZINC000370010698 563230939 /nfs/dbraw/zinc/23/09/39/563230939.db2.gz QBDRDQXGQQLZCW-CQSZACIVSA-N 1 0 391.313 2.994 20 0 GFADRO CCCN(C(=O)C(=O)NCCc1c(Cl)cccc1Cl)C1CC[NH2+]CC1 ZINC000418940396 563231277 /nfs/dbraw/zinc/23/12/77/563231277.db2.gz JAWBQASSYLPYNS-UHFFFAOYSA-N 1 0 386.323 2.643 20 0 GFADRO C[C@@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH2+][C@H]1CCCNC1=O ZINC000295139109 563231278 /nfs/dbraw/zinc/23/12/78/563231278.db2.gz ZHZHLVUAZRHSMG-ZANVPECISA-N 1 0 377.794 2.944 20 0 GFADRO C[C@@H](NC(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1)c1cc(Cl)ccc1Cl ZINC000418954005 563231642 /nfs/dbraw/zinc/23/16/42/563231642.db2.gz MXDZRTXDGNLDNL-YHYOWMERSA-N 1 0 384.307 2.756 20 0 GFADRO C[C@@H](NC(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1cc(Cl)ccc1Cl ZINC000418951141 563231840 /nfs/dbraw/zinc/23/18/40/563231840.db2.gz HXRDQJJNKQPQEI-GFQSEFKGSA-N 1 0 384.307 2.675 20 0 GFADRO C[C@@H](NC(=O)C(=O)N1CCC2(C1)CC[NH2+]CC2)c1cc(Cl)ccc1Cl ZINC000418953595 563231918 /nfs/dbraw/zinc/23/19/18/563231918.db2.gz LPVWGNYPKWSQRZ-GFCCVEGCSA-N 1 0 384.307 2.773 20 0 GFADRO O=C(NCCCCn1cc(Br)cn1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000370040026 563231963 /nfs/dbraw/zinc/23/19/63/563231963.db2.gz GTPLJBHCUBRLTB-MRXNPFEDSA-N 1 0 398.349 2.696 20 0 GFADRO CC[C@H](NC(=O)C(=O)N1CCC([NH2+]CC2CC2)CC1)c1ccc(Cl)s1 ZINC000419041999 563232385 /nfs/dbraw/zinc/23/23/85/563232385.db2.gz OPIJYKNLGBZKAR-AWEZNQCLSA-N 1 0 383.945 2.959 20 0 GFADRO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CCc3c2ccc(Cl)c3Cl)C1 ZINC000419096501 563233055 /nfs/dbraw/zinc/23/30/55/563233055.db2.gz LSMNKKJMDCZJQS-NHYWBVRUSA-N 1 0 384.307 2.555 20 0 GFADRO COCCC[N@@H+]1CCCN([C@@H](C)C(=O)Nc2ccccc2Br)CC1 ZINC000370170053 563235687 /nfs/dbraw/zinc/23/56/87/563235687.db2.gz SEIZONTVJGWBLW-HNNXBMFYSA-N 1 0 398.345 2.820 20 0 GFADRO CS(=O)(=O)NC[C@@H]1CCCN(Cc2cc(-c3ccccc3Cl)on2)C1 ZINC000419253897 563235704 /nfs/dbraw/zinc/23/57/04/563235704.db2.gz FEWARPAPYKZORJ-ZDUSSCGKSA-N 1 0 383.901 2.756 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N[C@H](C)Cc1ccc(Cl)cc1Cl ZINC000419277464 563236399 /nfs/dbraw/zinc/23/63/99/563236399.db2.gz GNZBKONVEYYELL-HSMVNMDESA-N 1 0 386.323 2.769 20 0 GFADRO CC[C@@H]([NH2+]CC(=O)NCC(=O)Nc1ccccc1Br)[C@@H]1CC1(C)C ZINC000419314958 563236945 /nfs/dbraw/zinc/23/69/45/563236945.db2.gz IYHYVQIQZZENDP-GXTWGEPZSA-N 1 0 396.329 2.918 20 0 GFADRO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1Cc1coc(-c2ccc(Br)cc2)n1 ZINC000419328876 563237276 /nfs/dbraw/zinc/23/72/76/563237276.db2.gz OZYAZTVSXNOWRR-ZIAGYGMSSA-N 1 0 394.313 2.991 20 0 GFADRO CC(C)(CNC(=O)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1)c1ccc(Cl)c(Cl)c1 ZINC000419354700 563238616 /nfs/dbraw/zinc/23/86/16/563238616.db2.gz FAJWFDFWURRCCU-OLZOCXBDSA-N 1 0 386.323 2.773 20 0 GFADRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)NCC(C)(C)c1ccc(Cl)c(Cl)c1 ZINC000419355064 563238752 /nfs/dbraw/zinc/23/87/52/563238752.db2.gz FQHGEQRFDYRJQB-NWDGAFQWSA-N 1 0 386.323 2.583 20 0 GFADRO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)N[C@H]1CCc2c1cccc2Br ZINC000419438506 563240640 /nfs/dbraw/zinc/24/06/40/563240640.db2.gz HTYHEZGGULMTID-XNJGSVPQSA-N 1 0 396.329 2.533 20 0 GFADRO C[C@H](CNC(=O)C(=O)N[C@H]1CCCC[C@H]1C[NH3+])c1c(Cl)cccc1Cl ZINC000419521613 563241202 /nfs/dbraw/zinc/24/12/02/563241202.db2.gz RVRATDDQBOALSO-XUJVJEKNSA-N 1 0 386.323 2.847 20 0 GFADRO COC[C@H](C)OC[C@@H](O)C[N@H+](CCCO)Cc1ccc(Cl)c(Cl)c1 ZINC000278125955 563242343 /nfs/dbraw/zinc/24/23/43/563242343.db2.gz VLCGSIKBPRPINU-ZFWWWQNUSA-N 1 0 380.312 2.590 20 0 GFADRO C[C@@H](NC(=O)C(=O)N1CC[C@H]([NH3+])C1)c1ccc(-c2ccc(Cl)cc2)s1 ZINC000419617685 563244003 /nfs/dbraw/zinc/24/40/03/563244003.db2.gz VNZJSJPWJDRJLB-RISCZKNCSA-N 1 0 377.897 2.805 20 0 GFADRO CC(C)(CNC(=O)C(=O)NC[C@@H]1CCC[NH2+]C1)c1c(Cl)cccc1Cl ZINC000419694755 563246022 /nfs/dbraw/zinc/24/60/22/563246022.db2.gz LHMIFZAKIGGIFT-GFCCVEGCSA-N 1 0 386.323 2.503 20 0 GFADRO Cc1c2cc(Cl)ccc2sc1CNC(=O)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000419699308 563246969 /nfs/dbraw/zinc/24/69/69/563246969.db2.gz BJCNSRHAZMTVHW-GFCCVEGCSA-N 1 0 379.913 2.595 20 0 GFADRO CC1(C)C(C[NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)C1(C)C ZINC000419728717 563249078 /nfs/dbraw/zinc/24/90/78/563249078.db2.gz NOOXIBSKZNVVMF-UHFFFAOYSA-N 1 0 375.332 2.868 20 0 GFADRO CC[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000419745967 563249813 /nfs/dbraw/zinc/24/98/13/563249813.db2.gz BIIPNVMOFUBNFG-NJZAAPMLSA-N 1 0 386.323 2.626 20 0 GFADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)c1cc(F)cc(Br)c1 ZINC000278330072 563250307 /nfs/dbraw/zinc/25/03/07/563250307.db2.gz FTXZVOWMGRSJHG-GFCCVEGCSA-N 1 0 385.277 2.914 20 0 GFADRO CC[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)NC1CCC([NH3+])CC1 ZINC000419771107 563250494 /nfs/dbraw/zinc/25/04/94/563250494.db2.gz MCUGSLCGKXMITR-SLTAFYQDSA-N 1 0 386.323 2.817 20 0 GFADRO CC(C)(C(=O)N[C@H]1CCC[N@H+](CCCO)C1)c1ccc(Br)cc1 ZINC000295504743 563250909 /nfs/dbraw/zinc/25/09/09/563250909.db2.gz PLBLFZCVJCOGJR-INIZCTEOSA-N 1 0 383.330 2.690 20 0 GFADRO O=S(=O)(c1cccs1)N1CCC([NH2+]CC2(CCO)CCCCC2)CC1 ZINC000370683470 563252631 /nfs/dbraw/zinc/25/26/31/563252631.db2.gz VSCAQSKVPHUJSU-UHFFFAOYSA-N 1 0 386.583 2.824 20 0 GFADRO O=C(Cc1ccc(Br)cc1)NC[C@@H]1CCC[C@H]1[NH+]1CCOCC1 ZINC000370757742 563254021 /nfs/dbraw/zinc/25/40/21/563254021.db2.gz IMNCKHDGTZBBSO-DOTOQJQBSA-N 1 0 381.314 2.609 20 0 GFADRO O=C(N[C@H]1CCC[N@@H+](CCCO)C1)c1nc2ccccc2cc1Br ZINC000295592653 563255318 /nfs/dbraw/zinc/25/53/18/563255318.db2.gz WNWJAHCYPFDOJT-AWEZNQCLSA-N 1 0 392.297 2.574 20 0 GFADRO C[NH+](C)CC[C@@](C)(O)CNC(=O)c1cn(-c2ccc(Cl)c(Cl)c2)cn1 ZINC000419996566 563255736 /nfs/dbraw/zinc/25/57/36/563255736.db2.gz LELVHVWBDZWYNE-QGZVFWFLSA-N 1 0 385.295 2.612 20 0 GFADRO C[C@@H]1C[N@H+](CCCNC(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)CCCO1 ZINC000278441071 563255844 /nfs/dbraw/zinc/25/58/44/563255844.db2.gz SUEJAHDVUYIYGO-GFCCVEGCSA-N 1 0 388.295 2.549 20 0 GFADRO CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000419999873 563256085 /nfs/dbraw/zinc/25/60/85/563256085.db2.gz NKDKJHKJLRXUGZ-CYBMUJFWSA-N 1 0 386.323 2.848 20 0 GFADRO COC[C@H](C)OC[C@H](O)C[N@H+](Cc1csc(Br)c1)C1CC1 ZINC000278460005 563257293 /nfs/dbraw/zinc/25/72/93/563257293.db2.gz YTQQORRUJDVJBM-SMDDNHRTSA-N 1 0 378.332 2.887 20 0 GFADRO CCN(Cc1ccc(Cl)s1)C(=O)C(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000420107978 563258134 /nfs/dbraw/zinc/25/81/34/563258134.db2.gz WRNRHNXNQSINGE-UHFFFAOYSA-N 1 0 377.897 2.670 20 0 GFADRO CCC([NH3+])(CC)CNC(=O)C(=O)N(Cc1ccc(Br)cc1)C(C)C ZINC000420079391 563258309 /nfs/dbraw/zinc/25/83/09/563258309.db2.gz HTTDKNOMIFVPBU-UHFFFAOYSA-N 1 0 398.345 2.820 20 0 GFADRO CC(C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)NCC1=CC[NH2+]CC1 ZINC000420135622 563258662 /nfs/dbraw/zinc/25/86/62/563258662.db2.gz HFMUXYQQCHPUMJ-UHFFFAOYSA-N 1 0 384.307 2.766 20 0 GFADRO C[C@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)C(=O)NCCC1=CC[NH2+]CC1 ZINC000420170185 563259412 /nfs/dbraw/zinc/25/94/12/563259412.db2.gz WZOUJQIIWMSEFU-GFCCVEGCSA-N 1 0 384.307 2.939 20 0 GFADRO C[C@@H]1c2cc(Cl)cc(Cl)c2CCN1C(=O)C(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000420204946 563259529 /nfs/dbraw/zinc/25/95/29/563259529.db2.gz PCYNGDSLHJENNC-NTZNESFSSA-N 1 0 384.307 2.683 20 0 GFADRO C[C@@H]1c2cc(Cl)cc(Cl)c2CCN1C(=O)C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000420204944 563259830 /nfs/dbraw/zinc/25/98/30/563259830.db2.gz PCYNGDSLHJENNC-NQBHXWOUSA-N 1 0 384.307 2.683 20 0 GFADRO CN1C(=O)N[C@]2(CCC[C@H]2C[NH2+][C@@H]2CCc3c2cccc3Br)C1=O ZINC000370987743 563262335 /nfs/dbraw/zinc/26/23/35/563262335.db2.gz CXOVIWBFDJIAOK-POHZPAGDSA-N 1 0 392.297 2.747 20 0 GFADRO C[C@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)N1CCCO[C@@H](C[NH3+])C1 ZINC000420386688 563262677 /nfs/dbraw/zinc/26/26/77/563262677.db2.gz JIMCMXMCSPWAIS-PWSUYJOCSA-N 1 0 379.810 2.735 20 0 GFADRO C[C@H]1CCN(CC(=O)Nc2c(F)cc(F)cc2Br)C[C@@H]1C[NH3+] ZINC000420395902 563263169 /nfs/dbraw/zinc/26/31/69/563263169.db2.gz DTHRZNBETXEWFA-UWVGGRQHSA-N 1 0 376.245 2.583 20 0 GFADRO COc1cc(Br)c(S(=O)(=O)N[C@H](C[NH3+])C(C)(C)C)cc1Cl ZINC000420444303 563263846 /nfs/dbraw/zinc/26/38/46/563263846.db2.gz CGPIMCBHBQFDTQ-GFCCVEGCSA-N 1 0 399.738 2.763 20 0 GFADRO Cc1cc(F)c(Br)cc1S(=O)(=O)N[C@H]1CC[NH2+]CC1(C)C ZINC000420461097 563264401 /nfs/dbraw/zinc/26/44/01/563264401.db2.gz LTWPWFIVEGBSLR-ZDUSSCGKSA-N 1 0 379.295 2.563 20 0 GFADRO CC1(C)C[NH2+]CC[C@H]1NS(=O)(=O)c1ccc(Br)c(Cl)c1 ZINC000420465422 563264526 /nfs/dbraw/zinc/26/45/26/563264526.db2.gz QCXGSTVSKPTJOA-GFCCVEGCSA-N 1 0 381.723 2.769 20 0 GFADRO Cc1cc(C[NH2+]C[C@@H]2CCC[C@]23NC(=O)N(C)C3=O)ccc1Br ZINC000371085977 563264554 /nfs/dbraw/zinc/26/45/54/563264554.db2.gz JUHNGWCMGSKTGZ-GUYCJALGSA-N 1 0 380.286 2.568 20 0 GFADRO COc1c(Cl)cc(Cl)cc1C[NH2+]C[C@H]1CCC[C@]12NC(=O)N(C)C2=O ZINC000371083918 563264609 /nfs/dbraw/zinc/26/46/09/563264609.db2.gz FCQGWFOBOQDIES-DIFFPNOSSA-N 1 0 386.279 2.812 20 0 GFADRO COC(=O)c1scc(C)c1S(=O)(=O)N[C@H](CCC[NH3+])c1ccccc1 ZINC000420472722 563265141 /nfs/dbraw/zinc/26/51/41/563265141.db2.gz ZZGIOAJLONHIKS-CQSZACIVSA-N 1 0 382.507 2.602 20 0 GFADRO Cc1cc(F)c(Br)cc1S(=O)(=O)N1C[C@@H]([NH3+])Cc2ccccc21 ZINC000420472790 563265154 /nfs/dbraw/zinc/26/51/54/563265154.db2.gz DXOHVIXKIFNXAT-LBPRGKRZSA-N 1 0 399.285 2.975 20 0 GFADRO Cc1cccc(S(=O)(=O)N2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c1Br ZINC000420471655 563265246 /nfs/dbraw/zinc/26/52/46/563265246.db2.gz YINRAAAIBMBRAR-ZIAGYGMSSA-N 1 0 387.343 2.910 20 0 GFADRO Cc1cccc(C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)c1Br ZINC000371089738 563265513 /nfs/dbraw/zinc/26/55/13/563265513.db2.gz SHLBWFXPTOWMJY-OAHLLOKOSA-N 1 0 380.330 2.610 20 0 GFADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)c1cc(Cl)cc(Br)c1F ZINC000278704339 563267580 /nfs/dbraw/zinc/26/75/80/563267580.db2.gz WEFDHKRNYAVYJP-JTQLQIEISA-N 1 0 392.700 2.607 20 0 GFADRO Cc1[nH+]c2c(n1[C@@H]1CCN(C(=O)c3c(Br)cnn3C)C1)CCCC2 ZINC000295954920 563269734 /nfs/dbraw/zinc/26/97/34/563269734.db2.gz IVXOIDMYWFDRHO-GFCCVEGCSA-N 1 0 392.301 2.654 20 0 GFADRO CC[NH+](CC)C[C@H]1CCN(S(=O)(=O)c2cc(F)ccc2OC(F)F)C1 ZINC000420669146 563271337 /nfs/dbraw/zinc/27/13/37/563271337.db2.gz KXXLAYHGGJZTFO-GFCCVEGCSA-N 1 0 380.432 2.780 20 0 GFADRO CCCC[NH+]1CCC(NS(=O)(=O)c2cc(F)ccc2OC(F)F)CC1 ZINC000420668292 563271357 /nfs/dbraw/zinc/27/13/57/563271357.db2.gz VLKSGNHYHODVQH-UHFFFAOYSA-N 1 0 380.432 2.970 20 0 GFADRO CC[NH+]1CCC(CCNS(=O)(=O)c2cc(F)ccc2OC(F)F)CC1 ZINC000420668786 563271596 /nfs/dbraw/zinc/27/15/96/563271596.db2.gz FORJEVFNVRVINO-UHFFFAOYSA-N 1 0 380.432 2.827 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2cc(F)ccc2OC(F)F)C[C@H]1C ZINC000420673936 563272128 /nfs/dbraw/zinc/27/21/28/563272128.db2.gz MHNPICBUKHPEGU-DGCLKSJQSA-N 1 0 380.432 2.920 20 0 GFADRO CC(C)[NH+]1CCN([C@@H]2CCN(Cc3cc(O)ccc3Br)C2)CC1 ZINC000371331478 563273412 /nfs/dbraw/zinc/27/34/12/563273412.db2.gz IEMABCAUSHKGJD-MRXNPFEDSA-N 1 0 382.346 2.755 20 0 GFADRO C[NH+]1CCC(O)(CNC(=O)Nc2cc3c(cc2Br)CCC3)CC1 ZINC000278871777 563274394 /nfs/dbraw/zinc/27/43/94/563274394.db2.gz XXXVBSAXZISNIA-UHFFFAOYSA-N 1 0 382.302 2.516 20 0 GFADRO C[C@H]1CN(CCOc2ccccc2Br)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000371366417 563275194 /nfs/dbraw/zinc/27/51/94/563275194.db2.gz LTMYJXFJUQFIOD-FUHWJXTLSA-N 1 0 396.373 2.786 20 0 GFADRO COc1c(Cl)cc(NC(=O)N[C@@H]2CCC[N@H+](CCCO)C2)cc1Cl ZINC000296226092 563279551 /nfs/dbraw/zinc/27/95/51/563279551.db2.gz ANCREVJDHYLPRF-LLVKDONJSA-N 1 0 376.284 2.970 20 0 GFADRO Cc1nc(-c2ccc(S(=O)(=O)N3CC[C@H]4CC[N@@H+](C)[C@@H]4C3)s2)cs1 ZINC000371506684 563279940 /nfs/dbraw/zinc/27/99/40/563279940.db2.gz ULQHNCIGGOZAFN-TZMCWYRMSA-N 1 0 383.564 2.895 20 0 GFADRO Cc1ccc(I)c(C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000371509203 563280374 /nfs/dbraw/zinc/28/03/74/563280374.db2.gz DDJUPFJPSRJKLE-STQMWFEESA-N 1 0 384.261 2.956 20 0 GFADRO COc1cc(Br)cc(S(=O)(=O)NC2CCC([NH+](C)C)CC2)c1 ZINC000420750600 563283061 /nfs/dbraw/zinc/28/30/61/563283061.db2.gz UPGZHFIWFZPWTR-UHFFFAOYSA-N 1 0 391.331 2.609 20 0 GFADRO CCC1([NH2+]CC(=O)NCC(=O)Nc2ccccc2Br)CCCC1 ZINC000296450968 563287823 /nfs/dbraw/zinc/28/78/23/563287823.db2.gz WMUQRNMSCXIPMD-UHFFFAOYSA-N 1 0 382.302 2.816 20 0 GFADRO C[NH+](C)C1CCC(NC(=O)NCCCCn2cc(Br)cn2)CC1 ZINC000420845386 563287951 /nfs/dbraw/zinc/28/79/51/563287951.db2.gz SZXNSNXRWAHJLU-UHFFFAOYSA-N 1 0 386.338 2.598 20 0 GFADRO CCC[N@@H+](CC(=O)Nc1cc(Cl)ccc1Cl)C[C@H](O)COCCOC ZINC000296501956 563290043 /nfs/dbraw/zinc/29/00/43/563290043.db2.gz LPVZKYAZOHTSQH-AWEZNQCLSA-N 1 0 393.311 2.668 20 0 GFADRO C[NH+](C)C1CCC(NC(=O)C(=O)NCCSc2ccc(Cl)cc2)CC1 ZINC000420906908 563290256 /nfs/dbraw/zinc/29/02/56/563290256.db2.gz UFZBTABARBLYJA-UHFFFAOYSA-N 1 0 383.945 2.537 20 0 GFADRO C[C@@H]1C[C@H]([N@@H+]2CCCN(S(=O)(=O)c3ccc(Cl)s3)CC2)CCO1 ZINC000420901700 563290505 /nfs/dbraw/zinc/29/05/05/563290505.db2.gz KSGCXBCXIFIYPP-CHWSQXEVSA-N 1 0 378.947 2.665 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1c(F)cccc1I ZINC000371934372 563292029 /nfs/dbraw/zinc/29/20/29/563292029.db2.gz SJMWGBOKLOUKHM-MNOVXSKESA-N 1 0 388.224 2.787 20 0 GFADRO COC1([C@@H](C)[NH2+]C[C@@H](O)COc2cc(Cl)ccc2Cl)CCOCC1 ZINC000421027209 563293617 /nfs/dbraw/zinc/29/36/17/563293617.db2.gz GIXGIYMFBPLINO-TZMCWYRMSA-N 1 0 378.296 2.907 20 0 GFADRO C[C@H]1NC(=O)N(CC[N@@H+]2CCCC[C@H]2Cc2cccc(Br)c2)C1=O ZINC000421035914 563294412 /nfs/dbraw/zinc/29/44/12/563294412.db2.gz IOEALHVIPJUZNF-CJNGLKHVSA-N 1 0 394.313 2.786 20 0 GFADRO COCCOC[C@@H](O)C[N@@H+]1CCCC[C@@H]1Cc1cccc(Br)c1 ZINC000421029408 563294611 /nfs/dbraw/zinc/29/46/11/563294611.db2.gz AUYXCHQQPSARQX-MSOLQXFVSA-N 1 0 386.330 2.870 20 0 GFADRO Cc1c(Br)ccc(NC(=O)C(=O)N[C@H](C)C2=CC[N@H+](C)CC2)c1F ZINC000279373634 563294644 /nfs/dbraw/zinc/29/46/44/563294644.db2.gz IEJZUMJJEHUMIL-LLVKDONJSA-N 1 0 398.276 2.602 20 0 GFADRO CCn1ccnc1CNC(=O)NC[C@@H](C)Oc1cccc(Br)c1 ZINC000296654846 563295532 /nfs/dbraw/zinc/29/55/32/563295532.db2.gz YYJIKZHYCKVCCS-GFCCVEGCSA-N 1 0 381.274 2.932 20 0 GFADRO O=C(Cc1cc(Br)ccc1F)NC[C@@H]1CCC[C@H]1[NH+]1CCOCC1 ZINC000372111687 563296517 /nfs/dbraw/zinc/29/65/17/563296517.db2.gz WGRRPWNDGJDRSR-SUMWQHHRSA-N 1 0 399.304 2.748 20 0 GFADRO CCS(=O)(=O)c1ccc(CNC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)s1 ZINC000279581808 563302043 /nfs/dbraw/zinc/30/20/43/563302043.db2.gz QPROETSYNRNUQD-AWEZNQCLSA-N 1 0 389.587 2.707 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)C(=O)NC1CCC([NH+](C)C)CC1 ZINC000421289125 563305095 /nfs/dbraw/zinc/30/50/95/563305095.db2.gz OGVJZYRSERMFMT-UHFFFAOYSA-N 1 0 396.329 2.939 20 0 GFADRO O=C(N[C@@H]1CCC[NH2+]CC1)c1nn(-c2ccc(F)cc2)cc1Br ZINC000372444245 563307091 /nfs/dbraw/zinc/30/70/91/563307091.db2.gz CPXKICFDVOOBDE-GFCCVEGCSA-N 1 0 381.249 2.646 20 0 GFADRO C[N@@H+]1CCC[C@H](CNC(=O)NC[C@@](C)(O)C(F)(F)F)[C@@H]1c1cccs1 ZINC000372478202 563307547 /nfs/dbraw/zinc/30/75/47/563307547.db2.gz OWUIFTNYLJUBOW-UXIGCNINSA-N 1 0 379.448 2.744 20 0 GFADRO CC(C)(O)C[N@@H+]1CCCN(C(=O)c2ccc(C(F)(F)F)nc2Cl)CC1 ZINC000372492105 563308433 /nfs/dbraw/zinc/30/84/33/563308433.db2.gz CZSCQROFYTWIDV-UHFFFAOYSA-N 1 0 379.810 2.673 20 0 GFADRO COC(=O)C[C@@H](NC(=O)C[C@H]1CCC[NH2+]CC1)c1cccc(Br)c1 ZINC000372498644 563308662 /nfs/dbraw/zinc/30/86/62/563308662.db2.gz WWDRIIGHWSKNAP-XJKSGUPXSA-N 1 0 397.313 2.949 20 0 GFADRO CNC(=O)[C@@H]1CC[N@H+](Cc2ccc(OC(F)(F)F)c(Br)c2)C1 ZINC000421394469 563309814 /nfs/dbraw/zinc/30/98/14/563309814.db2.gz SZKVXWLXBAENKL-SNVBAGLBSA-N 1 0 381.192 2.916 20 0 GFADRO C[C@@H](C(=O)Nc1cccc(Br)c1)N1CCC[N@H+](CC(C)(C)O)CC1 ZINC000372543446 563310596 /nfs/dbraw/zinc/31/05/96/563310596.db2.gz DRWPQYKSLLFCAG-AWEZNQCLSA-N 1 0 398.345 2.555 20 0 GFADRO CO[C@H](c1ccccc1)[C@H](C)[NH2+]C1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000279791828 563310820 /nfs/dbraw/zinc/31/08/20/563310820.db2.gz VDJFYBZZERLWFL-WFASDCNBSA-N 1 0 380.432 2.666 20 0 GFADRO CC(C)(O)C[N@@H+]1CCCN(C(=O)C2(c3cccc(Br)c3)CC2)CC1 ZINC000372558494 563310775 /nfs/dbraw/zinc/31/07/75/563310775.db2.gz UCCGGSYHDIRUAH-UHFFFAOYSA-N 1 0 395.341 2.786 20 0 GFADRO COc1ccc(Br)c([C@H](CO)N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000296974485 563310857 /nfs/dbraw/zinc/31/08/57/563310857.db2.gz QCHLCORTQPLJGI-DCGLDWPTSA-N 1 0 399.329 2.680 20 0 GFADRO CCOc1cc(C[NH2+][C@H](CO)COC)cc(Br)c1OC(F)F ZINC000279794753 563311137 /nfs/dbraw/zinc/31/11/37/563311137.db2.gz MTGVWVQPLZLSCO-SNVBAGLBSA-N 1 0 384.217 2.546 20 0 GFADRO C[S@](=O)Cc1cc(NC(=O)[C@]2([NH3+])[C@H]3CCCO[C@H]3C2(C)C)ccc1Cl ZINC000372568812 563311258 /nfs/dbraw/zinc/31/12/58/563311258.db2.gz IIOCKQRSFDPQGP-LHQFWXQOSA-N 1 0 384.929 2.690 20 0 GFADRO O=S(=O)(c1ccc(OC(F)F)c(F)c1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000279818956 563311482 /nfs/dbraw/zinc/31/14/82/563311482.db2.gz QJWQDQNPHNYCIC-GFCCVEGCSA-N 1 0 378.416 2.534 20 0 GFADRO O=S(=O)(C[C@@H](O)C[NH2+][C@H]1CCCc2nc(Cl)ccc21)c1cccs1 ZINC000297005793 563312202 /nfs/dbraw/zinc/31/22/02/563312202.db2.gz SYWZWNQJISJQBR-AAEUAGOBSA-N 1 0 386.926 2.598 20 0 GFADRO Cc1ccc(CC(=O)NC[C@@H]2CCC[C@@H]2[NH+]2CCOCC2)cc1Br ZINC000372673547 563313971 /nfs/dbraw/zinc/31/39/71/563313971.db2.gz IWSWXEUAOVOBAN-WMZOPIPTSA-N 1 0 395.341 2.917 20 0 GFADRO C[C@@H](CO)[N@@H+]1CCCN(C(=O)CCCc2ccc(Br)s2)CC1 ZINC000372725032 563315224 /nfs/dbraw/zinc/31/52/24/563315224.db2.gz FAKVWBDXSUWPNR-ZDUSSCGKSA-N 1 0 389.359 2.748 20 0 GFADRO C[C@H]([NH2+][C@H]1CC[C@H](CO)CC1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000279959650 563316529 /nfs/dbraw/zinc/31/65/29/563316529.db2.gz CGVYCCKTFORULL-DCAQKATOSA-N 1 0 381.325 2.843 20 0 GFADRO CN(C(=O)C[C@@H]1CSCC[NH2+]1)[C@@H](c1ccc(Cl)cc1)c1ncccn1 ZINC000372769957 563316760 /nfs/dbraw/zinc/31/67/60/563316760.db2.gz QILLXVPTSVYJQU-WBVHZDCISA-N 1 0 376.913 2.773 20 0 GFADRO O=C(c1ccc(I)cc1Cl)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000372928296 563322703 /nfs/dbraw/zinc/32/27/03/563322703.db2.gz ZSUIIRZOBHAXFO-NOZJJQNGSA-N 1 0 390.652 2.769 20 0 GFADRO O=C(Nc1ccc(F)c(Cl)c1)C1CC[NH+](C[C@H]2CCS(=O)(=O)C2)CC1 ZINC000280155775 563325092 /nfs/dbraw/zinc/32/50/92/563325092.db2.gz XMQUPHHASIFPFJ-GFCCVEGCSA-N 1 0 388.892 2.564 20 0 GFADRO C[NH+](C)CCn1nccc1NC(=O)N[C@@H]1C[C@H]1c1ccccc1Br ZINC000297384779 563325468 /nfs/dbraw/zinc/32/54/68/563325468.db2.gz MIGOKYSJJSVZSF-DZGCQCFKSA-N 1 0 392.301 2.885 20 0 GFADRO [NH3+]C[C@H]1CCCN(C(=O)[C@H]2CCCN2C(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000297380218 563325655 /nfs/dbraw/zinc/32/56/55/563325655.db2.gz MXCMRASJXKWUON-MLGOLLRUSA-N 1 0 384.307 2.795 20 0 GFADRO CC[C@@H](NC1CC[NH+](C2CC2)CC1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000280185195 563326114 /nfs/dbraw/zinc/32/61/14/563326114.db2.gz COZIJWVCBFRTEX-QGZVFWFLSA-N 1 0 385.961 2.916 20 0 GFADRO O=C([C@H]1CCC[N@@H+]1C1CCOCC1)N1CCc2c1cccc2Br ZINC000421976155 563326900 /nfs/dbraw/zinc/32/69/00/563326900.db2.gz VUWYHUCIYXVHFQ-QGZVFWFLSA-N 1 0 379.298 2.982 20 0 GFADRO C[NH+](C)C1CCC(NC(=O)c2ccc(I)c(O)c2)CC1 ZINC000422009371 563327548 /nfs/dbraw/zinc/32/75/48/563327548.db2.gz RFOKZPSHTRDMAL-UHFFFAOYSA-N 1 0 388.249 2.599 20 0 GFADRO C[C@@H](NC(=O)c1ccc(Br)cc1)C(=O)NC1CCC([NH+](C)C)CC1 ZINC000422011435 563327610 /nfs/dbraw/zinc/32/76/10/563327610.db2.gz ULIUTZCFQZAGQH-UWTIGNOOSA-N 1 0 396.329 2.556 20 0 GFADRO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)[C@@H]1CCCN1C(=O)c1ccc(Cl)s1 ZINC000373079590 563327700 /nfs/dbraw/zinc/32/77/00/563327700.db2.gz XMJQVHDAJGIZRC-OCCSQVGLSA-N 1 0 381.929 2.607 20 0 GFADRO C[C@H](CO)[N@@H+]1CCCN(C(=O)c2cc(Cl)cc(Br)c2F)CC1 ZINC000373071385 563327973 /nfs/dbraw/zinc/32/79/73/563327973.db2.gz RYAUEIRZSOOSDW-SNVBAGLBSA-N 1 0 393.684 2.770 20 0 GFADRO OC[C@H](C[NH2+]Cc1nc(-c2cccc(Br)c2)c[nH]1)[C@H]1CCOC1 ZINC000280295026 563331410 /nfs/dbraw/zinc/33/14/10/563331410.db2.gz NBQIWSRCKZYDSM-KBPBESRZSA-N 1 0 380.286 2.574 20 0 GFADRO NC(=O)c1ncn(C2CC[NH+](CCSc3ccc(Cl)cc3)CC2)c1N ZINC000297648019 563332360 /nfs/dbraw/zinc/33/23/60/563332360.db2.gz NAMBRZGQTANWNI-UHFFFAOYSA-N 1 0 379.917 2.647 20 0 GFADRO Cc1cc(NC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc(F)c1Br ZINC000297858809 563338138 /nfs/dbraw/zinc/33/81/38/563338138.db2.gz LTAGOZPOGJJVKG-KGLIPLIRSA-N 1 0 398.276 2.578 20 0 GFADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1cc(F)c(Br)cc1Cl ZINC000373473065 563339214 /nfs/dbraw/zinc/33/92/14/563339214.db2.gz GPURZUMFWNEQEK-VHSXEESVSA-N 1 0 391.668 2.835 20 0 GFADRO O=C(N[C@H](CO)c1cccc(Br)c1)NC1CC([NH+]2CCCCC2)C1 ZINC000373473775 563339516 /nfs/dbraw/zinc/33/95/16/563339516.db2.gz JKLLHDLLGHKDNW-OFLPRAFFSA-N 1 0 396.329 2.799 20 0 GFADRO CC[N@@H+]1CC[C@@H](NC(=O)C(=O)NCc2sc3ccc(Cl)cc3c2C)C1 ZINC000422432728 563339620 /nfs/dbraw/zinc/33/96/20/563339620.db2.gz NBHLMYVRMHZKIM-CYBMUJFWSA-N 1 0 379.913 2.690 20 0 GFADRO Cc1cc(Br)c(S(=O)(=O)N2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)s1 ZINC000422551922 563342670 /nfs/dbraw/zinc/34/26/70/563342670.db2.gz GBYSEUVGFBGKLY-KKZNHRDASA-N 1 0 381.361 2.813 20 0 GFADRO COc1nc(C)c(Br)cc1C(=O)N1CCCC12CC[NH+](C)CC2 ZINC000373581954 563343214 /nfs/dbraw/zinc/34/32/14/563343214.db2.gz KIGMDNXATNABMN-UHFFFAOYSA-N 1 0 382.302 2.862 20 0 GFADRO Cc1cccc(S(=O)(=O)N2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)c1Br ZINC000422558729 563343219 /nfs/dbraw/zinc/34/32/19/563343219.db2.gz ZOEDTSJPFFUCKV-XQQFMLRXSA-N 1 0 375.332 2.751 20 0 GFADRO C[C@@H]1C[C@@H](C)N(S(=O)(=O)c2cc(Br)ccc2F)C[C@H]1C[NH3+] ZINC000422558664 563343234 /nfs/dbraw/zinc/34/32/34/563343234.db2.gz ZGVHLWTXSGFRLY-GMTAPVOTSA-N 1 0 379.295 2.582 20 0 GFADRO Cc1cccc(S(=O)(=O)N2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)c1Br ZINC000422558728 563343383 /nfs/dbraw/zinc/34/33/83/563343383.db2.gz ZOEDTSJPFFUCKV-UPJWGTAASA-N 1 0 375.332 2.751 20 0 GFADRO C[C@H]([NH2+]CCC(=O)Nc1sccc1C(N)=O)[C@H]1OCCc2sccc21 ZINC000298091126 563345024 /nfs/dbraw/zinc/34/50/24/563345024.db2.gz IDSAOYNAXJQZDC-ZUZCIYMTSA-N 1 0 379.507 2.529 20 0 GFADRO C[C@@H]1CC[N@H+](CC(=O)N2CCc3sccc3[C@H]2c2cccs2)[C@H]1CO ZINC000373655261 563345269 /nfs/dbraw/zinc/34/52/69/563345269.db2.gz WLOAAISFBYENPG-WTANOLMUSA-N 1 0 376.547 2.986 20 0 GFADRO CCOc1cc(C[NH2+][C@@H](CO)C[C@H](O)C(C)(C)C)cc(Br)c1O ZINC000298169323 563346845 /nfs/dbraw/zinc/34/68/45/563346845.db2.gz UCCPSFIUTCKAFD-DOMZBBRYSA-N 1 0 390.318 2.801 20 0 GFADRO [NH3+]CC[C@@H]1CCCN(C(=O)c2cc(F)c(F)cc2I)C1 ZINC000281989180 563393120 /nfs/dbraw/zinc/39/31/20/563393120.db2.gz PJELVLXYILIOCU-VIFPVBQESA-N 1 0 394.203 2.770 20 0 GFADRO CC(C)[NH+]1CCC(NC(=O)N(C)C[C@@H](O)c2cccc(Br)c2)CC1 ZINC000298249578 563348850 /nfs/dbraw/zinc/34/88/50/563348850.db2.gz MVHFULDIMWGKRN-QGZVFWFLSA-N 1 0 398.345 2.997 20 0 GFADRO CC[C@H](NCCc1ccc(S(=O)(=O)N2CCCCC2)s1)[C@@H]1CCC[NH2+]1 ZINC000422782303 563350192 /nfs/dbraw/zinc/35/01/92/563350192.db2.gz GHDCNBFSCOXQKA-IRXDYDNUSA-N 1 0 385.599 2.585 20 0 GFADRO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000422999978 563352646 /nfs/dbraw/zinc/35/26/46/563352646.db2.gz GIZUQTUDVPUOEM-UHFFFAOYSA-N 1 0 384.307 2.554 20 0 GFADRO C[C@H]([NH2+]CCOc1ccccc1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000280774028 563353106 /nfs/dbraw/zinc/35/31/06/563353106.db2.gz RSYGBTDEQAVTOE-LBPRGKRZSA-N 1 0 399.310 2.826 20 0 GFADRO CN(Cc1cc(Br)cs1)C(=O)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000423025525 563353445 /nfs/dbraw/zinc/35/34/45/563353445.db2.gz LUWPCXVGNVPLML-CYBMUJFWSA-N 1 0 383.315 2.904 20 0 GFADRO Brc1cc2c(c(CN[C@@H]3CCOC[C@H]3[C@@H]3CCC[NH2+]3)c1)OCC2 ZINC000423049737 563353850 /nfs/dbraw/zinc/35/38/50/563353850.db2.gz KPKKUJAZUDSJND-YESZJQIVSA-N 1 0 381.314 2.631 20 0 GFADRO C[C@H](NC(=O)[C@@H]1C[C@H](C)CC[NH2+]1)c1cc2c(cc1Br)OCCO2 ZINC000423052399 563354072 /nfs/dbraw/zinc/35/40/72/563354072.db2.gz QMJIZYXWWGKQDF-SUNKGSAMSA-N 1 0 383.286 2.786 20 0 GFADRO CC(C)[C@@H](C(=O)N1CCN(C(=O)c2c(Cl)cccc2Cl)CC1)[C@H](C)[NH3+] ZINC000423066743 563354222 /nfs/dbraw/zinc/35/42/22/563354222.db2.gz XRFSZSJASJWOSA-SWLSCSKDSA-N 1 0 386.323 2.897 20 0 GFADRO [NH3+][C@@H](CC1CCCCC1)C(=O)NCC(=O)Nc1ccc(Br)cc1 ZINC000423055983 563354227 /nfs/dbraw/zinc/35/42/27/563354227.db2.gz XJWSLQZHPVRYNJ-HNNXBMFYSA-N 1 0 382.302 2.802 20 0 GFADRO C[C@@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)[N@@H+]1CC[C@@](C)(C(N)=O)C1 ZINC000280788951 563354678 /nfs/dbraw/zinc/35/46/78/563354678.db2.gz QVLALBFWZJTGOG-BJOHPYRUSA-N 1 0 377.794 2.883 20 0 GFADRO COc1ccc(Br)c(C(=O)N2CCC([N@@H+]3CCO[C@@H](C)C3)CC2)c1 ZINC000373947932 563355912 /nfs/dbraw/zinc/35/59/12/563355912.db2.gz ZDNJJQTVCCDFBC-ZDUSSCGKSA-N 1 0 397.313 2.783 20 0 GFADRO O=C(Cc1cc2c(cc1Br)OCCO2)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000373937634 563355931 /nfs/dbraw/zinc/35/59/31/563355931.db2.gz KFEKPBAGESALIR-ZIAGYGMSSA-N 1 0 395.297 2.506 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)[C@@H]1[NH2+]CCCC1(C)C ZINC000423127231 563356278 /nfs/dbraw/zinc/35/62/78/563356278.db2.gz PBZITQJXVFANOC-INIZCTEOSA-N 1 0 396.329 2.981 20 0 GFADRO C[C@@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)C(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000423118124 563356337 /nfs/dbraw/zinc/35/63/37/563356337.db2.gz YVXZTTZZMCLCPT-MBNYWOFBSA-N 1 0 386.323 2.956 20 0 GFADRO [NH3+][C@H](CC1CCCCC1)C(=O)NCCNC(=O)c1cccc(Br)c1 ZINC000423118807 563356419 /nfs/dbraw/zinc/35/64/19/563356419.db2.gz AGNHJKZGQKZFOS-MRXNPFEDSA-N 1 0 396.329 2.593 20 0 GFADRO [NH3+][C@@H](C(=O)Nc1cc(-c2cc(Br)ccc2Cl)[nH]n1)C1CCC1 ZINC000423128070 563357060 /nfs/dbraw/zinc/35/70/60/563357060.db2.gz UXHSZSWSRDRKNK-CQSZACIVSA-N 1 0 383.677 3.559 20 0 GFADRO Cc1cn2c(n1)CC[C@H](NC(=O)c1ccc(F)cc1I)C2 ZINC000373993326 563357431 /nfs/dbraw/zinc/35/74/31/563357431.db2.gz RBUNQGVNSJTUHG-NSHDSACASA-N 1 0 399.207 2.680 20 0 GFADRO CC[C@@H](NC[C@@H](CO)Cc1ccc(OC)c(Br)c1)[C@@H]1CCC[NH2+]1 ZINC000423156186 563357632 /nfs/dbraw/zinc/35/76/32/563357632.db2.gz MGVIYINAYIAWNZ-UAGQMJEPSA-N 1 0 385.346 2.729 20 0 GFADRO CC(C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000423163342 563357924 /nfs/dbraw/zinc/35/79/24/563357924.db2.gz MRHWHRVYMBYEAE-BLLLJJGKSA-N 1 0 386.323 2.926 20 0 GFADRO CC(C)[C@@H](C(=O)NCCC(=O)N(C)Cc1ccccc1Br)[C@@H](C)[NH3+] ZINC000423175199 563358401 /nfs/dbraw/zinc/35/84/01/563358401.db2.gz DJHAJLZFCWXIKG-CXAGYDPISA-N 1 0 398.345 2.533 20 0 GFADRO C[C@@H]1C[C@@H](C)CN(C(=O)C[NH+]2CCC(n3cc(Br)cn3)CC2)C1 ZINC000374011491 563358413 /nfs/dbraw/zinc/35/84/13/563358413.db2.gz IVJGKHKTVIATJL-ZIAGYGMSSA-N 1 0 383.334 2.787 20 0 GFADRO CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000423195009 563358686 /nfs/dbraw/zinc/35/86/86/563358686.db2.gz XDRBEZKVKORBIR-GXTWGEPZSA-N 1 0 386.323 2.928 20 0 GFADRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccccc2CS(=O)(=O)NC(C)C)[C@@H]1SC ZINC000298554023 563359501 /nfs/dbraw/zinc/35/95/01/563359501.db2.gz VDJZZTKCRSCTTE-KSZLIROESA-N 1 0 386.583 2.513 20 0 GFADRO [NH3+]CCCCn1cc(C(=O)N[C@H](c2ccc(Cl)cc2)C(F)(F)F)nn1 ZINC000423231824 563359765 /nfs/dbraw/zinc/35/97/65/563359765.db2.gz MCUDSSVTZBGHBU-CYBMUJFWSA-N 1 0 375.782 2.704 20 0 GFADRO C[NH+](C)CC1(CNC(=O)C(=O)Nc2cc(Cl)c(N)c(Cl)c2)CCCC1 ZINC000298595051 563361028 /nfs/dbraw/zinc/36/10/28/563361028.db2.gz KSIVLIZNENZNBA-UHFFFAOYSA-N 1 0 387.311 2.752 20 0 GFADRO O=C(CC[N@@H+]1CCS[C@H]2COCC[C@@H]21)Nc1ccccc1Br ZINC000298596715 563361256 /nfs/dbraw/zinc/36/12/56/563361256.db2.gz KWFSZYKFZXQFGA-GJZGRUSLSA-N 1 0 385.327 2.984 20 0 GFADRO [NH3+]C[C@@H](N[C@H]1CCS(=O)(=O)c2ccc(Br)cc21)C1CCCC1 ZINC000423512524 563362205 /nfs/dbraw/zinc/36/22/05/563362205.db2.gz UVGOUDKTXFFLKU-LSDHHAIUSA-N 1 0 387.343 2.775 20 0 GFADRO C[C@@H]([NH2+]C[C@@H]1CCn2ncc(C(N)=O)c2C1)c1ccc(Br)cc1F ZINC000280967412 563362240 /nfs/dbraw/zinc/36/22/40/563362240.db2.gz LABIPSFRGLUFSG-GHMZBOCLSA-N 1 0 395.276 2.797 20 0 GFADRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)c1cccn1-c1cccc(I)c1 ZINC000423692607 563362792 /nfs/dbraw/zinc/36/27/92/563362792.db2.gz ZWFPPZWBYITAEI-FZMZJTMJSA-N 1 0 395.244 2.644 20 0 GFADRO CC1(C)C[NH2+]CC[C@@H]1NC(=O)c1ncc(Br)cc1Br ZINC000423738107 563363280 /nfs/dbraw/zinc/36/32/80/563363280.db2.gz GUCJZHQFCWUZNJ-JTQLQIEISA-N 1 0 391.107 2.725 20 0 GFADRO C[NH2+]CCCN(C)C(=O)C(=O)N1CCC(c2cccc(Cl)c2Cl)CC1 ZINC000423706410 563363495 /nfs/dbraw/zinc/36/34/95/563363495.db2.gz BNNDVLHKDFCBQH-UHFFFAOYSA-N 1 0 386.323 2.767 20 0 GFADRO C[C@@H]1CN(C(=O)C(=O)N2CCC(c3cccc(Cl)c3Cl)CC2)C[C@@H]1[NH3+] ZINC000423733024 563363558 /nfs/dbraw/zinc/36/35/58/563363558.db2.gz BCYJOOUUWLOOTG-ABAIWWIYSA-N 1 0 384.307 2.505 20 0 GFADRO CC1(C)C[NH2+]CC[C@H]1NC(=O)c1ncc(Br)cc1Br ZINC000423738109 563363583 /nfs/dbraw/zinc/36/35/83/563363583.db2.gz GUCJZHQFCWUZNJ-SNVBAGLBSA-N 1 0 391.107 2.725 20 0 GFADRO O[C@H](COc1ccc(Cl)cc1Cl)C[N@@H+]1CCC[C@@H]1[C@H]1COCC[C@@H]1O ZINC000374176019 563363991 /nfs/dbraw/zinc/36/39/91/563363991.db2.gz VECYOUOYMZGECB-ABFRBSLYSA-N 1 0 390.307 2.595 20 0 GFADRO C[NH+]1CCC2(CCCN(C(=O)C(=O)Nc3cccc(Br)c3)C2)CC1 ZINC000374181422 563364441 /nfs/dbraw/zinc/36/44/41/563364441.db2.gz BMTCRAJJHLZXAG-UHFFFAOYSA-N 1 0 394.313 2.722 20 0 GFADRO O[C@H](COc1ccc(Cl)cc1Cl)C[N@@H+]1CCC[C@@H]1[C@@H]1COCC[C@H]1O ZINC000374176348 563364518 /nfs/dbraw/zinc/36/45/18/563364518.db2.gz VECYOUOYMZGECB-XJNFMUPTSA-N 1 0 390.307 2.595 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)N[C@H](C[NH3+])C(C)(C)C ZINC000423944934 563364935 /nfs/dbraw/zinc/36/49/35/563364935.db2.gz AHWJMTWEIMQEND-XJKSGUPXSA-N 1 0 386.583 2.841 20 0 GFADRO COCC[C@@H](Cc1cccc(Br)c1)C(=O)N(C)[C@H](C[NH3+])C1CC1 ZINC000423952512 563365072 /nfs/dbraw/zinc/36/50/72/563365072.db2.gz PQILVXBPBIDZRM-DOTOQJQBSA-N 1 0 383.330 2.840 20 0 GFADRO CCOc1cc(Br)c(CC(=O)N(C)[C@@H](C[NH3+])C2CC2)cc1OCC ZINC000423962378 563365601 /nfs/dbraw/zinc/36/56/01/563365601.db2.gz VFMUEIBGPJVZNB-HNNXBMFYSA-N 1 0 399.329 2.985 20 0 GFADRO [NH3+]C[C@H](NC(=O)CNC(=O)c1sc2ccccc2c1Cl)C1CCCC1 ZINC000423958764 563365810 /nfs/dbraw/zinc/36/58/10/563365810.db2.gz MMUDZDMDZYGRMP-ZDUSSCGKSA-N 1 0 379.913 2.918 20 0 GFADRO C[C@@H]1CCN(C(=O)c2cn(-c3ccc(Br)cc3)cn2)C[C@H]1C[NH3+] ZINC000423990587 563366494 /nfs/dbraw/zinc/36/64/94/563366494.db2.gz CRERTYKZSLPEHM-CHWSQXEVSA-N 1 0 377.286 2.692 20 0 GFADRO O=C([C@@H]1COc2ccc(Br)cc21)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000423981493 563366579 /nfs/dbraw/zinc/36/65/79/563366579.db2.gz TVDBCCDDAZLRLI-WQVCFCJDSA-N 1 0 379.298 2.916 20 0 GFADRO C[C@@H]1CCN(C(=O)[C@@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)C[C@@H]1C[NH3+] ZINC000424017076 563367295 /nfs/dbraw/zinc/36/72/95/563367295.db2.gz OPMXDSAHCZRECA-DYEKYZERSA-N 1 0 384.307 2.790 20 0 GFADRO C[C@@H]1CCN(C(=O)[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C[C@H]1C[NH3+] ZINC000424005070 563367297 /nfs/dbraw/zinc/36/72/97/563367297.db2.gz FMDYJACMLAVSDM-BZPMIXESSA-N 1 0 384.307 2.790 20 0 GFADRO C[C@H]1CCN(C(=O)c2cc(=O)[nH]c3ccc(Br)cc32)C[C@@H]1C[NH3+] ZINC000424026218 563368058 /nfs/dbraw/zinc/36/80/58/563368058.db2.gz XFIWPLSFLJVGFU-QWRGUYRKSA-N 1 0 378.270 2.760 20 0 GFADRO Cc1csc(C(=O)NC2(C[NH+](C)C)CCC2)c1I ZINC000281173636 563368344 /nfs/dbraw/zinc/36/83/44/563368344.db2.gz YAIFVFLGQPADLD-UHFFFAOYSA-N 1 0 378.279 2.875 20 0 GFADRO Cc1sc2nc(CS[C@@H](C)C(=O)NC(C)(C)CC[NH3+])[nH]c(=O)c2c1C ZINC000424055114 563368618 /nfs/dbraw/zinc/36/86/18/563368618.db2.gz HVBJBACGXIRAKU-NSHDSACASA-N 1 0 382.555 2.879 20 0 GFADRO C[C@@H]([NH2+]C[C@@H]1CCn2ncc(C(N)=O)c2C1)c1ccc(F)cc1Br ZINC000281181537 563368856 /nfs/dbraw/zinc/36/88/56/563368856.db2.gz QQNSWCOAJRJBRI-GHMZBOCLSA-N 1 0 395.276 2.797 20 0 GFADRO CNC(=O)[C@]1(C)CC[N@H+](Cc2nc(-c3cccc(Br)c3)c[nH]2)C1 ZINC000281197905 563369298 /nfs/dbraw/zinc/36/92/98/563369298.db2.gz SPXSJZBLYBBQAN-QGZVFWFLSA-N 1 0 377.286 2.797 20 0 GFADRO Nc1c(Cl)cc(NC(=O)C(=O)NCC2CC[NH+](C3CC3)CC2)cc1Cl ZINC000298874879 563369554 /nfs/dbraw/zinc/36/95/54/563369554.db2.gz JTMSEVITYYDWEB-UHFFFAOYSA-N 1 0 385.295 2.505 20 0 GFADRO Nc1c(Cl)cc(NC(=O)C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)cc1Cl ZINC000298879768 563369761 /nfs/dbraw/zinc/36/97/61/563369761.db2.gz KBYSDGQOPFERHB-GFCCVEGCSA-N 1 0 385.295 2.647 20 0 GFADRO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)[C@H]2CSCCS2)c1 ZINC000299065820 563374417 /nfs/dbraw/zinc/37/44/17/563374417.db2.gz OGOADRRIYVHLQL-MRXNPFEDSA-N 1 0 381.567 2.545 20 0 GFADRO [NH3+]CC[C@H](NS(=O)(=O)c1ccc2ccccc2c1Br)C(F)F ZINC000424365468 563376805 /nfs/dbraw/zinc/37/68/05/563376805.db2.gz VRYBSWMXVZFZSL-NSHDSACASA-N 1 0 393.253 2.863 20 0 GFADRO OC1(C[NH+]2CCOCC2)CCN(Cc2csc(-c3ccsc3)n2)CC1 ZINC000374804534 563382775 /nfs/dbraw/zinc/38/27/75/563382775.db2.gz ZYHHGJZELMIOAG-UHFFFAOYSA-N 1 0 379.551 2.531 20 0 GFADRO Cc1csc([C@](O)(CC(=O)NCC[NH+]2CCCCCC2)C(F)(F)F)n1 ZINC000299443114 563383534 /nfs/dbraw/zinc/38/35/34/563383534.db2.gz LQEUJXOWTPQFMS-OAHLLOKOSA-N 1 0 379.448 2.584 20 0 GFADRO COc1ncc(C(=O)N2CCC([NH+]3CCCCC3)CC2)cc1Br ZINC000424607263 563383710 /nfs/dbraw/zinc/38/37/10/563383710.db2.gz ZTVBWEKBCRVZPO-UHFFFAOYSA-N 1 0 382.302 2.943 20 0 GFADRO CS(=O)(=O)N1CCC[C@H](C[NH2+][C@H](c2ccc(Cl)cc2)[C@H]2CCOC2)C1 ZINC000374872535 563385201 /nfs/dbraw/zinc/38/52/01/563385201.db2.gz FXXKIJQNPOPHDK-UWWQBHOKSA-N 1 0 386.945 2.679 20 0 GFADRO CC[NH+]1CCN([C@H](C)CNC(=O)c2c(C)ccc(Br)c2OC)CC1 ZINC000424651110 563385582 /nfs/dbraw/zinc/38/55/82/563385582.db2.gz CPPFRRGSYRSSSF-CQSZACIVSA-N 1 0 398.345 2.522 20 0 GFADRO Cc1oc(Br)cc1C(=O)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000424688271 563387335 /nfs/dbraw/zinc/38/73/35/563387335.db2.gz CPODEYLVVQMPLJ-GOSISDBHSA-N 1 0 393.281 2.717 20 0 GFADRO Cc1sc(C(=O)NC[C@@H](O)C[NH+]2CCC(C)CC2)cc1Br ZINC000424715199 563388355 /nfs/dbraw/zinc/38/83/55/563388355.db2.gz AEUYCOBEDJZXAW-GFCCVEGCSA-N 1 0 375.332 2.642 20 0 GFADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1cc(Cl)cc(F)c1Br ZINC000375046275 563388883 /nfs/dbraw/zinc/38/88/83/563388883.db2.gz IRUGFJDFJADWGQ-GHMZBOCLSA-N 1 0 391.668 2.835 20 0 GFADRO [NH3+]CC[C@H]1CCCN(C(=O)c2ccc(I)c(F)c2)C1 ZINC000281939054 563391161 /nfs/dbraw/zinc/39/11/61/563391161.db2.gz LAPGOZUTGAFYJR-SNVBAGLBSA-N 1 0 376.213 2.631 20 0 GFADRO C[NH+]1CCN(Cc2ccc(NC(=O)[C@@]3(C)C[C@@H]3F)cc2Br)CC1 ZINC000424796300 563391945 /nfs/dbraw/zinc/39/19/45/563391945.db2.gz QHASNACPTPMTLJ-RDJZCZTQSA-N 1 0 384.293 2.883 20 0 GFADRO CCS(=O)(=O)N1CCC([NH2+]Cc2c(F)ccc(Br)c2F)CC1 ZINC000281973079 563392616 /nfs/dbraw/zinc/39/26/16/563392616.db2.gz KDTBGRYNLBACNG-UHFFFAOYSA-N 1 0 397.285 2.631 20 0 GFADRO C[NH+]1CCC(C(=O)NCc2cc(Cl)cc(I)c2)CC1 ZINC000424893293 563395956 /nfs/dbraw/zinc/39/59/56/563395956.db2.gz DLPYGGOAJIBKPE-UHFFFAOYSA-N 1 0 392.668 2.903 20 0 GFADRO CCCOc1c(Br)cc(C[NH2+][C@H](CO)CCOC)cc1OC ZINC000282087385 563396672 /nfs/dbraw/zinc/39/66/72/563396672.db2.gz CGJHMNJHFHHQRU-ZDUSSCGKSA-N 1 0 376.291 2.734 20 0 GFADRO Cn1ncc(N[C@H](C[NH+]2CCCC2)c2ccccc2)c(Br)c1=O ZINC000301248465 563397989 /nfs/dbraw/zinc/39/79/89/563397989.db2.gz ILGFNKUHMVIIJB-OAHLLOKOSA-N 1 0 377.286 2.792 20 0 GFADRO C[C@@H]1CN(C(=O)c2cn3cc(Cl)cc(Cl)c3n2)CC[N@@H+]1CC(C)(C)O ZINC000282145609 563399559 /nfs/dbraw/zinc/39/95/59/563399559.db2.gz CJTBJJCFZVWRAC-LLVKDONJSA-N 1 0 385.295 2.558 20 0 GFADRO C[C@@H](CNc1ccc(S(N)(=O)=O)cc1C(F)(F)F)[N@@H+]1CCC[C@@H](C)C1 ZINC000301373552 563401486 /nfs/dbraw/zinc/40/14/86/563401486.db2.gz QNEXVKPTHBJBOH-NEPJUHHUSA-N 1 0 379.448 2.885 20 0 GFADRO Cc1nc(CO[C@H]2CCN([C@H](C)C(=O)NCCc3cccs3)C2)cs1 ZINC000375392592 563402560 /nfs/dbraw/zinc/40/25/60/563402560.db2.gz LPTACHMHOZQTRM-CJNGLKHVSA-N 1 0 379.551 2.851 20 0 GFADRO Cc1nc2ccc(Br)cn2c1C(=O)N1CCC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000425069406 563403599 /nfs/dbraw/zinc/40/35/99/563403599.db2.gz UZYLMDYOTCOSMN-GXTWGEPZSA-N 1 0 377.286 2.571 20 0 GFADRO CSc1nc2ncnc(N3CCC(OCC[NH+]4CCCC4)CC3)c2s1 ZINC000301438235 563403973 /nfs/dbraw/zinc/40/39/73/563403973.db2.gz SYRWYGSAOFVHLN-UHFFFAOYSA-N 1 0 379.555 2.889 20 0 GFADRO C[C@H](CO)[N@@H+]1CCCN(C(=O)c2ccc(Br)c(Cl)c2)CC1 ZINC000375484100 563407039 /nfs/dbraw/zinc/40/70/39/563407039.db2.gz NLDLNEPWMXEDIQ-LLVKDONJSA-N 1 0 375.694 2.631 20 0 GFADRO COc1cc(C[N@@H+]2CC[C@@H](Nc3ncc(Br)cn3)C2)cc(OC)c1 ZINC000301565250 563407303 /nfs/dbraw/zinc/40/73/03/563407303.db2.gz LYTFCWMYHPXZTH-CQSZACIVSA-N 1 0 393.285 2.943 20 0 GFADRO O=C(CCC[S@](=O)c1ccc(Br)cc1)N1CC[NH+]2CCC1CC2 ZINC000375496507 563407407 /nfs/dbraw/zinc/40/74/07/563407407.db2.gz NQNBYWSLYMFIGJ-QHCPKHFHSA-N 1 0 399.354 2.644 20 0 GFADRO Cc1[nH]c(=O)c(Br)cc1C(=O)N1CCC[C@@H]([NH+]2CCCCC2)C1 ZINC000375663622 563413059 /nfs/dbraw/zinc/41/30/59/563413059.db2.gz DMCDADJPAIXKFR-CYBMUJFWSA-N 1 0 382.302 2.949 20 0 GFADRO COc1cc2[nH+]ccc(N(CCO)C3CCOCC3)c2cc1Br ZINC000425258406 563415724 /nfs/dbraw/zinc/41/57/24/563415724.db2.gz SUGGEWRRTJHKSF-UHFFFAOYSA-N 1 0 381.270 2.984 20 0 GFADRO C[N@@H+]1C[C@@H]2CCCN(c3ncc(Cn4cc(Br)cn4)s3)[C@@H]2C1 ZINC000425276997 563416115 /nfs/dbraw/zinc/41/61/15/563416115.db2.gz CAHQBPSUQQWMRT-SMDDNHRTSA-N 1 0 382.331 2.681 20 0 GFADRO COc1cc2[nH+]ccc(N3CC[C@H](CS(C)(=O)=O)C3)c2cc1Br ZINC000425267048 563416473 /nfs/dbraw/zinc/41/64/73/563416473.db2.gz KNKLOUNHNRFESK-NSHDSACASA-N 1 0 399.310 2.877 20 0 GFADRO COC(=O)[C@@H]1C[N@H+](Cc2cnn(C)c2)C[C@H]1c1ccc(Br)cc1 ZINC000425350928 563418783 /nfs/dbraw/zinc/41/87/83/563418783.db2.gz UKLHXHRZKOMFGQ-JKSUJKDBSA-N 1 0 378.270 2.571 20 0 GFADRO CS[C@@H]1CC[C@H]1[NH2+]CC(=O)Nc1ccc(I)cc1 ZINC000425388682 563419558 /nfs/dbraw/zinc/41/95/58/563419558.db2.gz WMTNDUWREDDVRB-VXGBXAGGSA-N 1 0 376.263 2.713 20 0 GFADRO C[N@H+](CCCN1C(=O)c2ccccc2C1=O)Cc1cncc(Br)c1 ZINC000425370118 563420048 /nfs/dbraw/zinc/42/00/48/563420048.db2.gz ISUBTXAODNZOGQ-UHFFFAOYSA-N 1 0 388.265 2.962 20 0 GFADRO O=C(Nc1nc(C(F)(F)F)cs1)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000282742364 563422688 /nfs/dbraw/zinc/42/26/88/563422688.db2.gz FQFJLVPLITZLHH-NSHDSACASA-N 1 0 378.420 2.738 20 0 GFADRO C[C@@H]([NH2+]Cc1ccc(S(=O)(=O)N(C)C)s1)[C@@H]1OCCc2sccc21 ZINC000425449369 563423234 /nfs/dbraw/zinc/42/32/34/563423234.db2.gz SRDKTOMCWFMSOY-BZNIZROVSA-N 1 0 386.564 2.852 20 0 GFADRO CN(C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1)C(=O)NC[C@H]1CSCCS1 ZINC000375978291 563425839 /nfs/dbraw/zinc/42/58/39/563425839.db2.gz XYVITAAUGNSMDK-ULQDDVLXSA-N 1 0 380.583 2.564 20 0 GFADRO CC[N@H+](CCc1ccc(C(F)(F)F)cc1)C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000425552376 563427089 /nfs/dbraw/zinc/42/70/89/563427089.db2.gz QGLLHYHHRQVQKW-HNNXBMFYSA-N 1 0 378.460 2.851 20 0 GFADRO Cc1nc(NC(=O)C(=O)N[C@@H](C[NH+](C)C)c2ccc(Cl)cc2)sc1C ZINC000282902427 563429111 /nfs/dbraw/zinc/42/91/11/563429111.db2.gz YYTCKFZMNOZSMH-AWEZNQCLSA-N 1 0 380.901 2.771 20 0 GFADRO COc1ccc(CN2CCC[C@H](C[NH+]3CCOCC3)C2)c(Br)c1O ZINC000282924978 563429668 /nfs/dbraw/zinc/42/96/68/563429668.db2.gz FMDOVKHMKXWREH-CQSZACIVSA-N 1 0 399.329 2.708 20 0 GFADRO O=S(=O)(c1ccc(OC(F)F)c(F)c1)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000376122949 563430513 /nfs/dbraw/zinc/43/05/13/563430513.db2.gz NKGYTBZHQLTFDU-SMDDNHRTSA-N 1 0 378.416 2.580 20 0 GFADRO Brc1cnn(Cc2cnc(N3CCC[N@@H+](C4CC4)CC3)s2)c1 ZINC000302829128 563430650 /nfs/dbraw/zinc/43/06/50/563430650.db2.gz OYFOCNXVRVOBEV-UHFFFAOYSA-N 1 0 382.331 2.825 20 0 GFADRO [NH3+][C@H]1CCC[C@]12CCN(S(=O)(=O)c1c(Cl)cccc1Br)C2 ZINC000376127495 563430827 /nfs/dbraw/zinc/43/08/27/563430827.db2.gz HRWUFXREWOMMRD-GXTWGEPZSA-N 1 0 393.734 2.995 20 0 GFADRO Brc1cc(Br)cc(C[NH2+]CCN2CCOCC2)c1 ZINC000310605733 563435060 /nfs/dbraw/zinc/43/50/60/563435060.db2.gz KBXIAHAEOLSIHQ-UHFFFAOYSA-N 1 0 378.108 2.633 20 0 GFADRO CCOC(=O)[C@@H](C)[C@@H](C)[NH2+]CC(=O)N(C)Cc1cc(Br)cs1 ZINC000283172151 563437642 /nfs/dbraw/zinc/43/76/42/563437642.db2.gz POIYYJSBIDDIPQ-WDEREUQCSA-N 1 0 391.331 2.646 20 0 GFADRO O=C(NC[C@@H]1[NH2+]CCc2ccccc21)c1ccccc1I ZINC000314542405 563439139 /nfs/dbraw/zinc/43/91/39/563439139.db2.gz MMMTYVXJCCPWPU-INIZCTEOSA-N 1 0 392.240 2.908 20 0 GFADRO CCN(Cc1cc(Br)ccc1F)C(=O)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O ZINC000376385622 563440338 /nfs/dbraw/zinc/44/03/38/563440338.db2.gz LQONAGPCFKNBIW-YHWZYXNKSA-N 1 0 397.288 2.751 20 0 GFADRO COC(=O)CNC(=O)[C@H](C)[NH+]1CCC(c2ccc(Br)c(C)c2)CC1 ZINC000425919172 563440643 /nfs/dbraw/zinc/44/06/43/563440643.db2.gz OBRNJPCWVFSWJS-ZDUSSCGKSA-N 1 0 397.313 2.615 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)N[C@@H]2CCN(c3cccc(Br)c3)C2)CC[N@@H+]1C ZINC000426065583 563442748 /nfs/dbraw/zinc/44/27/48/563442748.db2.gz BTNCEWWUHLPTCZ-FVQBIDKESA-N 1 0 395.345 2.810 20 0 GFADRO COc1ccc(Br)cc1C[N@@H+]1CC[C@H](C(=O)NCC(F)(F)F)C1 ZINC000426144493 563445091 /nfs/dbraw/zinc/44/50/91/563445091.db2.gz FDKWLWAYQDDDNR-JTQLQIEISA-N 1 0 395.219 2.958 20 0 GFADRO CCOc1c(Br)cc(C[NH2+]C2CCC(C(N)=O)CC2)cc1OC ZINC000319856448 563445572 /nfs/dbraw/zinc/44/55/72/563445572.db2.gz OBGCQESCLGPJTO-UHFFFAOYSA-N 1 0 385.302 2.990 20 0 GFADRO [NH3+]C[C@@H]1CCCC[C@@]12NC(=O)N(Cc1cc(F)ccc1Br)C2=O ZINC000321370047 563447934 /nfs/dbraw/zinc/44/79/34/563447934.db2.gz ZEJWUAHHGGXWLQ-MEDUHNTESA-N 1 0 384.249 2.528 20 0 GFADRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)NC[C@@H](O)c2cccc(Br)c2)C1 ZINC000283677747 563451193 /nfs/dbraw/zinc/45/11/93/563451193.db2.gz MSMHIOFLQCGWHI-WMLDXEAASA-N 1 0 398.345 2.902 20 0 GFADRO COC(=O)C[C@H]1CCCC[N@@H+]1CC(=O)N(C)Cc1ccccc1Br ZINC000324349506 563452186 /nfs/dbraw/zinc/45/21/86/563452186.db2.gz ORVOBNSFOIQUJK-OAHLLOKOSA-N 1 0 397.313 2.825 20 0 GFADRO COc1cc(Br)c(C[NH2+][C@H]2CCC(=O)N[C@H]2C2CC2)cc1OC ZINC000376774910 563453950 /nfs/dbraw/zinc/45/39/50/563453950.db2.gz YTBCYDPXOWUWKM-GUYCJALGSA-N 1 0 383.286 2.613 20 0 GFADRO Cc1nc(-c2ccc(S(=O)(=O)N3CCC[C@@]4(CC[NH2+]C4)C3)s2)cs1 ZINC000376778175 563454066 /nfs/dbraw/zinc/45/40/66/563454066.db2.gz NIYNDDYOXDGUBV-INIZCTEOSA-N 1 0 383.564 2.944 20 0 GFADRO [NH3+][C@H](CNC(=O)[C@H]1CCCN1c1ncc(C(F)(F)F)cc1Cl)C1CC1 ZINC000376804158 563454759 /nfs/dbraw/zinc/45/47/59/563454759.db2.gz KCFKRIYETLGAPE-CHWSQXEVSA-N 1 0 376.810 2.576 20 0 GFADRO CC(C)(C)[NH+]1CCC(N[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)CC1 ZINC000376804014 563454841 /nfs/dbraw/zinc/45/48/41/563454841.db2.gz XZCQMZJJVBXFKA-MRXNPFEDSA-N 1 0 385.599 2.754 20 0 GFADRO O[C@@H](C[NH2+][C@@H]1COc2ccccc2C1)COc1ccc(Br)cc1 ZINC000328219537 563460718 /nfs/dbraw/zinc/46/07/18/563460718.db2.gz LBOYRFLZKQERLX-HOTGVXAUSA-N 1 0 378.266 2.782 20 0 GFADRO O=C(NCCCn1cc(Br)cn1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000377053375 563461896 /nfs/dbraw/zinc/46/18/96/563461896.db2.gz XXSAWGQZBODMDV-MRXNPFEDSA-N 1 0 398.349 2.696 20 0 GFADRO Cc1csc(-c2cccc(S(=O)(=O)N3CC[C@@H]4CC[N@@H+](C)C[C@@H]43)c2)n1 ZINC000328675992 563463011 /nfs/dbraw/zinc/46/30/11/563463011.db2.gz RHKMKJPOXREJMR-YOEHRIQHSA-N 1 0 377.535 2.833 20 0 GFADRO C[C@H](C(=O)Nc1ccc(Br)cc1)[N@@H+]1CCC[C@@H]1[C@@H]1COCC[C@H]1O ZINC000328696854 563463258 /nfs/dbraw/zinc/46/32/58/563463258.db2.gz DJPQGXIHTNSZNU-VJUNAUMWSA-N 1 0 397.313 2.638 20 0 GFADRO CS(=O)(=O)CCOCC[NH2+][C@@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000284093589 563463665 /nfs/dbraw/zinc/46/36/65/563463665.db2.gz BNEIVARFAGXCOZ-HZPDHXFCSA-N 1 0 379.444 2.992 20 0 GFADRO COc1ccc(Br)cc1C(=O)CCC(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000427623941 563470564 /nfs/dbraw/zinc/47/05/64/563470564.db2.gz YBYGPRBIDZWQBQ-SMDDNHRTSA-N 1 0 383.286 2.535 20 0 GFADRO C[C@H](Oc1ccc(Cl)cc1Br)C(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000427612456 563470573 /nfs/dbraw/zinc/47/05/73/563470573.db2.gz NSNVAZCOHWSHRD-KWBADKCTSA-N 1 0 375.694 2.984 20 0 GFADRO Cn1nccc1[C@H]1[C@H]([NH2+]Cc2ccc(Br)o2)CCC(=O)N1C1CC1 ZINC000284392954 563472775 /nfs/dbraw/zinc/47/27/75/563472775.db2.gz AMNAPPZTLADFKA-CXAGYDPISA-N 1 0 393.285 2.760 20 0 GFADRO Cc1cc(C(=O)NC[C@@H](C)N2CC[NH+](C)CC2)cc(Cl)c1Br ZINC000284414060 563473592 /nfs/dbraw/zinc/47/35/92/563473592.db2.gz RTIOHENAGLXSMY-GFCCVEGCSA-N 1 0 388.737 2.777 20 0 GFADRO CCn1cc(S(=O)(=O)NC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)nc1C ZINC000329179909 563475064 /nfs/dbraw/zinc/47/50/64/563475064.db2.gz MWSWVRJOOQCGSE-PBHICJAKSA-N 1 0 382.555 2.634 20 0 GFADRO Cc1cc(Br)c(S(=O)(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)s1 ZINC000427809195 563476102 /nfs/dbraw/zinc/47/61/02/563476102.db2.gz YMDYGJSXGCCEFQ-YPMHNXCESA-N 1 0 393.372 2.924 20 0 GFADRO COc1cc(Br)c(S(=O)(=O)N[C@@H](C)CCCC[NH3+])cc1Cl ZINC000427930141 563479124 /nfs/dbraw/zinc/47/91/24/563479124.db2.gz ISMFHHYSVVXLBC-VIFPVBQESA-N 1 0 399.738 2.907 20 0 GFADRO O=S(=O)(c1cc(Cl)ccc1OCCC1CC1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000427955332 563479209 /nfs/dbraw/zinc/47/92/09/563479209.db2.gz AQPRDJYFFVHQFP-ZBFHGGJFSA-N 1 0 384.929 2.891 20 0 GFADRO Cn1nccc1[C@H]1[C@H]([NH2+]Cc2cc(Br)cs2)CCC(=O)N1C ZINC000284559336 563480177 /nfs/dbraw/zinc/48/01/77/563480177.db2.gz OFCBAMLYPZEDCL-IUODEOHRSA-N 1 0 383.315 2.696 20 0 GFADRO C[N@H+](Cc1ccc(Br)cc1)C1CCN(CC(=O)N2CCCC2)CC1 ZINC000377576737 563480195 /nfs/dbraw/zinc/48/01/95/563480195.db2.gz ZJIXMBNQCRPWEL-UHFFFAOYSA-N 1 0 394.357 2.968 20 0 GFADRO CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCCN(c3ccc(Br)cn3)C2)C1 ZINC000377581030 563480237 /nfs/dbraw/zinc/48/02/37/563480237.db2.gz JVRZXJZOKLTVCJ-HUUCEWRRSA-N 1 0 395.345 2.519 20 0 GFADRO COc1ccc(S(=O)(=O)N2CC([NH2+][C@@H](C)CCc3ccsc3)C2)cc1 ZINC000428075078 563482669 /nfs/dbraw/zinc/48/26/69/563482669.db2.gz GZSUIWRCJKUNPD-AWEZNQCLSA-N 1 0 380.535 2.741 20 0 GFADRO Cc1noc(C)c1S(=O)(=O)NC[C@H]1CC[N@@H+](C)[C@H]1c1cccc(Cl)c1 ZINC000377741793 563484509 /nfs/dbraw/zinc/48/45/09/563484509.db2.gz KFUGMURKWVRBQA-ZBFHGGJFSA-N 1 0 383.901 2.916 20 0 GFADRO O=C(C[NH2+][C@@H](c1cncc(Br)c1)C1CC1)NCc1cccnc1 ZINC000284670094 563485564 /nfs/dbraw/zinc/48/55/64/563485564.db2.gz GWORPHHDCGJXOO-QGZVFWFLSA-N 1 0 375.270 2.596 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)[C@H]1CCCc2nc[nH]c21 ZINC000377763008 563485756 /nfs/dbraw/zinc/48/57/56/563485756.db2.gz QEHURSAJPPBYQB-LBPRGKRZSA-N 1 0 391.269 2.655 20 0 GFADRO C[C@H](O)C[NH+]1CCN(Cc2ccc(Br)c(Br)c2)CC1 ZINC000428396960 563490053 /nfs/dbraw/zinc/49/00/53/563490053.db2.gz FAHFPQBIAYHYKC-NSHDSACASA-N 1 0 392.135 2.710 20 0 GFADRO [NH3+]C1(CNC(=O)CCNC(=O)Nc2ccc(Br)cc2)CCCCC1 ZINC000428460897 563493478 /nfs/dbraw/zinc/49/34/78/563493478.db2.gz PFCPYWWVBBUCKG-UHFFFAOYSA-N 1 0 397.317 2.739 20 0 GFADRO CS(=O)(=O)[C@@H]1CCC[C@@H]([NH2+]CCOc2ccc(Br)cc2)C1 ZINC000284956614 563496653 /nfs/dbraw/zinc/49/66/53/563496653.db2.gz FHZYLXGMKYUILW-UKRRQHHQSA-N 1 0 376.316 2.773 20 0 GFADRO O=C(Cc1cccc(I)c1)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000378230077 563499693 /nfs/dbraw/zinc/49/96/93/563499693.db2.gz PFKQCIQTEYGZGB-MRXNPFEDSA-N 1 0 398.288 2.824 20 0 GFADRO CC[N@@H+]1CCCN(C(=O)NC[C@@H](C)Oc2cccc(Br)c2)CC1 ZINC000428698604 563500173 /nfs/dbraw/zinc/50/01/73/563500173.db2.gz FFSVFGIVTXPYGR-CQSZACIVSA-N 1 0 384.318 2.954 20 0 GFADRO Cn1c(=O)cc(C[NH+]2CCC(c3ccc(Cl)cc3Cl)CC2)n(C)c1=O ZINC000428717737 563500657 /nfs/dbraw/zinc/50/06/57/563500657.db2.gz LIHRZDLOPKVDOD-UHFFFAOYSA-N 1 0 382.291 2.770 20 0 GFADRO COC[C@](C)(CC(=O)OC)[NH2+]CC(=O)N[C@@H](C)c1ccc(Cl)cc1Cl ZINC000428776390 563501619 /nfs/dbraw/zinc/50/16/19/563501619.db2.gz FDHCTVIBKVHPTH-GTNSWQLSSA-N 1 0 391.295 2.728 20 0 GFADRO Cn1cc([C@H](O)C[C@H]2CCC[N@@H+]2C[C@H](O)c2cccc(Br)c2)cn1 ZINC000378361903 563504724 /nfs/dbraw/zinc/50/47/24/563504724.db2.gz UDNQEXADYYBCIP-KURKYZTESA-N 1 0 394.313 2.804 20 0 GFADRO CN(C(=O)NCCCn1ccnc1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000285161904 563506133 /nfs/dbraw/zinc/50/61/33/563506133.db2.gz SPHIXBZTWBLINI-JKSUJKDBSA-N 1 0 383.279 2.880 20 0 GFADRO O=C(CC[NH2+][C@@H](CO)c1ccc(Br)c(F)c1)Nc1cccnc1 ZINC000429022265 563508023 /nfs/dbraw/zinc/50/80/23/563508023.db2.gz RSSSAYZFKHVKCH-HNNXBMFYSA-N 1 0 382.233 2.635 20 0 GFADRO CCS(=O)(=O)NCC[NH2+][C@H](c1cc(Cl)ccc1Cl)[C@H]1CCOC1 ZINC000378472396 563508607 /nfs/dbraw/zinc/50/86/07/563508607.db2.gz JALDLDFCKDYJHZ-NHYWBVRUSA-N 1 0 381.325 2.600 20 0 GFADRO CC(=O)Nc1ccc(S(=O)(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1Cl ZINC000285238670 563510574 /nfs/dbraw/zinc/51/05/74/563510574.db2.gz BMMPXBMKDRLYMO-PBWFPOADSA-N 1 0 385.917 2.544 20 0 GFADRO C[NH+](C)CCCC1CCN(S(=O)(=O)c2ccc(Br)cn2)CC1 ZINC000330565880 563511041 /nfs/dbraw/zinc/51/10/41/563511041.db2.gz KWFPWYKAUHSZGK-UHFFFAOYSA-N 1 0 390.347 2.587 20 0 GFADRO Cc1c(C(=O)N2CC[C@@H]([NH3+])[C@@H](C)C2)cnn1-c1cccc(Br)c1 ZINC000429178642 563511444 /nfs/dbraw/zinc/51/14/44/563511444.db2.gz UPABJKZRYPKGDG-MEDUHNTESA-N 1 0 377.286 2.753 20 0 GFADRO CC(=O)N[C@H](CC(=O)N1C[C@H](C)[N@@H+](C)C[C@H]1C)c1ccc(Br)cc1 ZINC000330601687 563512391 /nfs/dbraw/zinc/51/23/91/563512391.db2.gz GQPGSJIQWHCGCV-OGHNNQOOSA-N 1 0 396.329 2.567 20 0 GFADRO C[C@@](C[NH3+])(NC(=O)c1cc(I)ccc1Cl)C1CC1 ZINC000429232383 563512448 /nfs/dbraw/zinc/51/24/48/563512448.db2.gz KBXPQEPEIYKDOD-ZDUSSCGKSA-N 1 0 378.641 2.802 20 0 GFADRO CNS(=O)(=O)CCC[NH2+][C@@H]1c2cc(Br)ccc2CC1(C)C ZINC000429282545 563513085 /nfs/dbraw/zinc/51/30/85/563513085.db2.gz FLHOJQBSRJYFSM-CQSZACIVSA-N 1 0 375.332 2.601 20 0 GFADRO CC[C@H]1CC[C@H](C)[N@@H+]1CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000330645557 563515367 /nfs/dbraw/zinc/51/53/67/563515367.db2.gz GOIAQRBFXWDJFF-JSGCOSHPSA-N 1 0 387.933 2.792 20 0 GFADRO C[C@@H]1CN(C[C@H](O)COc2ccc(Br)cc2)CC[N@@H+](C2CCC2)C1 ZINC000429403847 563516107 /nfs/dbraw/zinc/51/61/07/563516107.db2.gz UIBWSIMTHPBVBS-QAPCUYQASA-N 1 0 397.357 2.995 20 0 GFADRO C[C@@H]1CN(C[C@@H](O)COc2ccc(Br)cc2)CC[N@@H+](C2CCC2)C1 ZINC000429403845 563516131 /nfs/dbraw/zinc/51/61/31/563516131.db2.gz UIBWSIMTHPBVBS-CRAIPNDOSA-N 1 0 397.357 2.995 20 0 GFADRO Cn1ccnc1Sc1ncc(C(=O)NCC[C@@H]2CCC[NH2+]C2)cc1Cl ZINC000429404425 563516262 /nfs/dbraw/zinc/51/62/62/563516262.db2.gz QPKJGDBLYSGGRN-LBPRGKRZSA-N 1 0 379.917 2.739 20 0 GFADRO C[C@H]1CN(C[C@H](O)COc2ccc(Br)cc2)CC[N@@H+](C2CCC2)C1 ZINC000429403848 563516382 /nfs/dbraw/zinc/51/63/82/563516382.db2.gz UIBWSIMTHPBVBS-YJBOKZPZSA-N 1 0 397.357 2.995 20 0 GFADRO CC(C)NS(=O)(=O)NCC[NH2+][C@@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000429453406 563517162 /nfs/dbraw/zinc/51/71/62/563517162.db2.gz OVLOUTSEZUMALC-OAHLLOKOSA-N 1 0 379.448 2.579 20 0 GFADRO CC(C)NS(=O)(=O)NCC[NH2+][C@@H]1CCCSc2ccc(Cl)cc21 ZINC000429460547 563517189 /nfs/dbraw/zinc/51/71/89/563517189.db2.gz ZEEZSZUNXMCALB-CQSZACIVSA-N 1 0 377.963 2.689 20 0 GFADRO [NH3+]CC[C@@H](NC(=O)c1cc(Br)ccc1Br)C(F)F ZINC000383499767 563517288 /nfs/dbraw/zinc/51/72/88/563517288.db2.gz ZGAVFOCWFIHQOG-SECBINFHSA-N 1 0 386.034 2.924 20 0 GFADRO O=S(=O)(c1sccc1Br)N1CCC2(CC[NH2+]CC2)CC1 ZINC000383697495 563517339 /nfs/dbraw/zinc/51/73/39/563517339.db2.gz ZWNGYCSKJWPYEJ-UHFFFAOYSA-N 1 0 379.345 2.665 20 0 GFADRO C[C@@H]1CCC[N@@H+](C(C)(C)CNS(=O)(=O)c2cccnc2C(F)(F)F)C1 ZINC000330675081 563517582 /nfs/dbraw/zinc/51/75/82/563517582.db2.gz RQPGFQFAOREOFX-GFCCVEGCSA-N 1 0 379.448 2.889 20 0 GFADRO CN(CC(C)(C)C[NH3+])C(=O)[C@@H](c1ccc(Cl)cc1Cl)N1CCOCC1 ZINC000429489559 563517861 /nfs/dbraw/zinc/51/78/61/563517861.db2.gz BBENHDVCTNNRBK-MRXNPFEDSA-N 1 0 388.339 2.810 20 0 GFADRO CS(=O)(=O)N1CCC[C@H](C[NH2+][C@@H](CCO)c2ccc(Cl)c(Cl)c2)C1 ZINC000285383291 563518277 /nfs/dbraw/zinc/51/82/77/563518277.db2.gz BOFAGJDUWKVBCP-WBMJQRKESA-N 1 0 395.352 2.678 20 0 GFADRO C[N@H+](CCCNC(=O)C1CCC1)C[C@H](O)COc1cc(Cl)ccc1Cl ZINC000429547175 563518350 /nfs/dbraw/zinc/51/83/50/563518350.db2.gz KSGDCRAYGWKQEF-HNNXBMFYSA-N 1 0 389.323 2.971 20 0 GFADRO CC[NH+](CC)[C@H]1CCN(C(=O)C(C)(C)S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000330768640 563520852 /nfs/dbraw/zinc/52/08/52/563520852.db2.gz SRDPEUJNPJOWRJ-HNNXBMFYSA-N 1 0 386.945 2.835 20 0 GFADRO CC[N@@H+]1CCC[C@H](CNS(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)C1 ZINC000330787006 563521537 /nfs/dbraw/zinc/52/15/37/563521537.db2.gz WMTHYBWTDVRHHD-LLVKDONJSA-N 1 0 382.860 2.952 20 0 GFADRO Brc1cnccc1NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000390872310 563523516 /nfs/dbraw/zinc/52/35/16/563523516.db2.gz QMECJBRPERZVMF-INIZCTEOSA-N 1 0 376.298 2.969 20 0 GFADRO C[NH+](C)C[C@@H]1CCCN1S(=O)(=O)c1cc(Cl)ccc1Br ZINC000429830564 563524195 /nfs/dbraw/zinc/52/41/95/563524195.db2.gz WVVASAMTPCATIC-NSHDSACASA-N 1 0 381.723 2.817 20 0 GFADRO C[C@@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH2+][C@@H]1CC(=O)N(C)C1 ZINC000285532538 563525236 /nfs/dbraw/zinc/52/52/36/563525236.db2.gz SKHNXBQAWNAUEY-GXSJLCMTSA-N 1 0 377.794 2.896 20 0 GFADRO C[C@@H]1C[C@H](C)N(C(=O)c2ccc(F)cc2I)C[C@@H]1C[NH3+] ZINC000397336178 563531674 /nfs/dbraw/zinc/53/16/74/563531674.db2.gz BTHQNBMRTYOIAY-VWYCJHECSA-N 1 0 390.240 2.876 20 0 GFADRO C[C@@H]1C[C@@H](C)N(CCS(=O)(=O)c2ccc(Br)cc2)C[C@H]1C[NH3+] ZINC000397389852 563531753 /nfs/dbraw/zinc/53/17/53/563531753.db2.gz XGOSTEHBBPVNRX-MGPQQGTHSA-N 1 0 389.359 2.528 20 0 GFADRO C[C@@H]1C[C@@H](C)N(S(=O)(=O)c2ccc(F)cc2Br)C[C@@H]1C[NH3+] ZINC000397320379 563531963 /nfs/dbraw/zinc/53/19/63/563531963.db2.gz SNEJDMKCVLQPEA-MXWKQRLJSA-N 1 0 379.295 2.582 20 0 GFADRO CN(Cc1ccccc1Br)C(=O)C[NH+]1CCC(CCCO)CC1 ZINC000401055131 563535116 /nfs/dbraw/zinc/53/51/16/563535116.db2.gz HNBXVOXRXNFKQE-UHFFFAOYSA-N 1 0 383.330 2.892 20 0 GFADRO C[C@H](C(=O)NC[C@@H](CO)Cc1cccc(Br)c1)[NH+]1CCCCCC1 ZINC000430136083 563535235 /nfs/dbraw/zinc/53/52/35/563535235.db2.gz RTFIDKAROPNBTK-WBVHZDCISA-N 1 0 397.357 2.981 20 0 GFADRO Brc1cnc(N2CCO[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]32)nc1 ZINC000404162943 563536787 /nfs/dbraw/zinc/53/67/87/563536787.db2.gz SUFJWJJJCJLRKN-SJORKVTESA-N 1 0 389.297 2.719 20 0 GFADRO C[C@H]1C[C@@H](C(=O)N2CCN(c3cccc(Br)c3)CC2)CC[N@@H+]1C ZINC000285805165 563537621 /nfs/dbraw/zinc/53/76/21/563537621.db2.gz WFOQVIMJDVSQAG-GJZGRUSLSA-N 1 0 380.330 2.828 20 0 GFADRO O=C(C[NH2+]C[C@@H]1CCCO1)N(Cc1cc(Br)ccc1F)C1CC1 ZINC000430175880 563537965 /nfs/dbraw/zinc/53/79/65/563537965.db2.gz DOVKOHVZKJHTPB-HNNXBMFYSA-N 1 0 385.277 2.848 20 0 GFADRO CS[C@H]1CN(C(=O)c2cc(Br)c(F)cc2F)C[C@@H]1[NH+](C)C ZINC000430265439 563539405 /nfs/dbraw/zinc/53/94/05/563539405.db2.gz FBFKOOOOUGAMIJ-STQMWFEESA-N 1 0 379.270 2.845 20 0 GFADRO OCC1([NH2+]Cc2cc(Cl)ccc2I)CCOCC1 ZINC000405760861 563539793 /nfs/dbraw/zinc/53/97/93/563539793.db2.gz GUDZDEFVVKSUDL-UHFFFAOYSA-N 1 0 381.641 2.576 20 0 GFADRO CS[C@H]1CN(C(=O)c2cc(Br)c(F)cc2F)C[C@H]1[NH+](C)C ZINC000430265437 563539753 /nfs/dbraw/zinc/53/97/53/563539753.db2.gz FBFKOOOOUGAMIJ-OLZOCXBDSA-N 1 0 379.270 2.845 20 0 GFADRO COc1cc(Br)ccc1CNC(=O)N1CC[NH+](C2CCC2)CC1 ZINC000430272278 563540592 /nfs/dbraw/zinc/54/05/92/563540592.db2.gz AFOHOQOBIZNWGT-UHFFFAOYSA-N 1 0 382.302 2.837 20 0 GFADRO [NH3+]CCCOC1CCN(CCS(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000430543845 563544918 /nfs/dbraw/zinc/54/49/18/563544918.db2.gz NFMUATXUVZDIDV-UHFFFAOYSA-N 1 0 395.352 2.597 20 0 GFADRO C[C@@H]1C[C@@H](N2CCOCC2)C[N@@H+]1C[C@H](O)COc1cc(Cl)ccc1Cl ZINC000286021898 563545745 /nfs/dbraw/zinc/54/57/45/563545745.db2.gz PWLRFRQQLGLYNV-BMFZPTHFSA-N 1 0 389.323 2.528 20 0 GFADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2cn3ccc(Br)cc3n2)C1 ZINC000286019592 563545817 /nfs/dbraw/zinc/54/58/17/563545817.db2.gz JPNVGFXCUMUMRE-ZDUSSCGKSA-N 1 0 379.302 2.901 20 0 GFADRO CO[C@@H]1C[C@@H]([NH2+][C@@H](C)c2ccc(Br)c(S(N)(=O)=O)c2)C1(C)C ZINC000430712959 563548399 /nfs/dbraw/zinc/54/83/99/563548399.db2.gz IVRGEIMRGMDJLQ-CUOATXAZSA-N 1 0 391.331 2.561 20 0 GFADRO C[C@H](NC(=O)[C@@H]1CC[C@@H]([NH3+])C1)c1nc(-c2ccc(Br)cc2)no1 ZINC000430853832 563549631 /nfs/dbraw/zinc/54/96/31/563549631.db2.gz JBOLUGIQQHHNGD-UFGOTCBOSA-N 1 0 379.258 2.804 20 0 GFADRO C[C@@H]([NH3+])C1CCN(Cc2csc(-c3ccc(S(C)(=O)=O)cc3)n2)CC1 ZINC000430959179 563550922 /nfs/dbraw/zinc/55/09/22/563550922.db2.gz WWUWKMLFSANEEJ-CYBMUJFWSA-N 1 0 379.551 2.773 20 0 GFADRO CCCN(CC[NH+]1CCCCC1)C(=O)c1nccn2c(Br)cnc12 ZINC000286156780 563551050 /nfs/dbraw/zinc/55/10/50/563551050.db2.gz JEBDHMTWSOMVFT-UHFFFAOYSA-N 1 0 394.317 2.830 20 0 GFADRO CCCN(CC(=O)N(C)Cc1cc(Br)cs1)C1CC[NH2+]CC1 ZINC000431070371 563552127 /nfs/dbraw/zinc/55/21/27/563552127.db2.gz XUPRZIUDUAEJHF-UHFFFAOYSA-N 1 0 388.375 2.933 20 0 GFADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)c1[nH]ccc1-c1c(Cl)cccc1Cl ZINC000331557814 563553294 /nfs/dbraw/zinc/55/32/94/563553294.db2.gz IRNJLGWGHQLKPJ-GFCCVEGCSA-N 1 0 381.307 2.964 20 0 GFADRO C[NH+](C)[C@H]1CCCN(C(=O)c2cnc3ccc(Br)cc3c2O)CC1 ZINC000408441639 563556500 /nfs/dbraw/zinc/55/65/00/563556500.db2.gz IPVOPZGQAQXMPM-ZDUSSCGKSA-N 1 0 392.297 2.847 20 0 GFADRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000331701357 563558545 /nfs/dbraw/zinc/55/85/45/563558545.db2.gz BEVWVQJEMCAFRY-GHJWDPDVSA-N 1 0 384.307 2.794 20 0 GFADRO C[C@@H]1C[N@@H+](CCCNC(=O)NCc2ccsc2Br)C[C@H](C)O1 ZINC000331721658 563559321 /nfs/dbraw/zinc/55/93/21/563559321.db2.gz TUEVGINFYIHKKW-TXEJJXNPSA-N 1 0 390.347 2.809 20 0 GFADRO COCC[N@H+](C)CCCNC(=O)[C@H]1C[C@]12CCc1cc(Br)ccc12 ZINC000409452321 563560519 /nfs/dbraw/zinc/56/05/19/563560519.db2.gz HNJQKKSCNGYMSZ-MJGOQNOKSA-N 1 0 395.341 2.738 20 0 GFADRO O=S(=O)(CCC1CCOCC1)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000431540220 563562542 /nfs/dbraw/zinc/56/25/42/563562542.db2.gz AJQQEIKLGQDUJS-UHFFFAOYSA-N 1 0 386.583 2.696 20 0 GFADRO COC(=O)c1ccc(S(=O)(=O)N2CCC[C@H]([NH+]3[C@H](C)CC[C@H]3C)C2)s1 ZINC000331837252 563564091 /nfs/dbraw/zinc/56/40/91/563564091.db2.gz OXEHICBRTUYRHH-MCIONIFRSA-N 1 0 386.539 2.561 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)c(Br)c1 ZINC000431705639 563566508 /nfs/dbraw/zinc/56/65/08/563566508.db2.gz BCHSCIIBIHDEHM-UONOGXRCSA-N 1 0 396.329 2.993 20 0 GFADRO CC(C)[N@H+](C)CCNC(=O)[C@H](C)Oc1ccc(I)cc1 ZINC000409629036 563566668 /nfs/dbraw/zinc/56/66/68/563566668.db2.gz GNXQEWLYWBEUIS-LBPRGKRZSA-N 1 0 390.265 2.515 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@@H]2C)c(Br)c1 ZINC000431715865 563567283 /nfs/dbraw/zinc/56/72/83/563567283.db2.gz OCSCGUAKLZCNII-SWLSCSKDSA-N 1 0 394.313 2.603 20 0 GFADRO CC1CC[NH+](C[C@H](O)CNC(=O)CCc2ccccc2Br)CC1 ZINC000409714200 563569531 /nfs/dbraw/zinc/56/95/31/563569531.db2.gz UXCJRVNSSLXGNE-MRXNPFEDSA-N 1 0 383.330 2.591 20 0 GFADRO C[NH+](C)C1(CNC(=O)N[C@@H]2COc3cc(F)c(Br)cc32)CCC1 ZINC000409770390 563570928 /nfs/dbraw/zinc/57/09/28/563570928.db2.gz RZVRROHVPGIZRP-CYBMUJFWSA-N 1 0 386.265 2.805 20 0 GFADRO CC[N@H+](CCNC(=O)C(=O)Nc1c(C)cc(C)cc1Br)C1CC1 ZINC000431997114 563572975 /nfs/dbraw/zinc/57/29/75/563572975.db2.gz DBTYCKOWPRAFBQ-UHFFFAOYSA-N 1 0 382.302 2.605 20 0 GFADRO COc1c[nH+]ccc1N1CCN(C(=O)Nc2cncc(Br)c2)CC1 ZINC000432255420 563577773 /nfs/dbraw/zinc/57/77/73/563577773.db2.gz BQZGAJRVTYVCAA-UHFFFAOYSA-N 1 0 392.257 2.602 20 0 GFADRO C[NH+](C)CCNC(=O)Cn1cc(NCc2csc(Cl)c2Cl)cn1 ZINC000432251263 563577916 /nfs/dbraw/zinc/57/79/16/563577916.db2.gz AAPDOTZETTUSDD-UHFFFAOYSA-N 1 0 376.313 2.541 20 0 GFADRO C[C@H]1C[N@H+](CCCNS(=O)(=O)Cc2ccc(Cl)c(Cl)c2)CCCO1 ZINC000432329473 563581455 /nfs/dbraw/zinc/58/14/55/563581455.db2.gz PZBQPCWIBJKQAQ-ZDUSSCGKSA-N 1 0 395.352 2.914 20 0 GFADRO CC[C@H](C)[N@H+](C)CCNS(=O)(=O)Cc1cc(OC)ccc1Br ZINC000410138486 563582273 /nfs/dbraw/zinc/58/22/73/563582273.db2.gz RSOBLTZTRZJBOO-LBPRGKRZSA-N 1 0 393.347 2.607 20 0 GFADRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)Nc3ccccc3I)C[C@@H]21 ZINC000332221887 563584640 /nfs/dbraw/zinc/58/46/40/563584640.db2.gz MBJSRADISSRKTI-GMXVVIOVSA-N 1 0 385.249 2.882 20 0 GFADRO C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)c1c(O)cnc2c(Br)cccc21 ZINC000332234634 563586540 /nfs/dbraw/zinc/58/65/40/563586540.db2.gz RQVFRKDYPYLPNA-WDEREUQCSA-N 1 0 378.270 2.868 20 0 GFADRO C[N@H+](C[C@@H](O)COc1ccccc1C(F)(F)F)C[C@@](C)(O)C(F)(F)F ZINC000410381230 563588535 /nfs/dbraw/zinc/58/85/35/563588535.db2.gz IVGTYYIWXIAXJI-ZWNOBZJWSA-N 1 0 375.309 2.690 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)N[C@@H]1COc2cc(F)c(Br)cc21 ZINC000332322452 563592949 /nfs/dbraw/zinc/59/29/49/563592949.db2.gz ZXYJWZOXQSFAMS-FZZIBODNSA-N 1 0 386.265 2.933 20 0 GFADRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2nn(C)cc2Br)C1 ZINC000432882156 563596170 /nfs/dbraw/zinc/59/61/70/563596170.db2.gz WQSBQEQLAKKISM-GXTWGEPZSA-N 1 0 377.286 2.748 20 0 GFADRO C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)NCc1ccc(O)c(Br)c1 ZINC000332469563 563600104 /nfs/dbraw/zinc/60/01/04/563600104.db2.gz JSLAUECHZORBLJ-OCCSQVGLSA-N 1 0 382.302 2.923 20 0 GFADRO CC[N@H+](C)C[C@H]1CCN(C(=O)Nc2cccc(C(=O)NC)c2Br)C1 ZINC000287476385 563603180 /nfs/dbraw/zinc/60/31/80/563603180.db2.gz RRDCBNBGSYRPOB-GFCCVEGCSA-N 1 0 397.317 2.614 20 0 GFADRO Cn1cc(Br)c(C(=O)N(CC[NH+](C)C)Cc2cccc(F)c2)n1 ZINC000433112646 563603343 /nfs/dbraw/zinc/60/33/43/563603343.db2.gz JRDNKWQEUVROIV-UHFFFAOYSA-N 1 0 383.265 2.526 20 0 GFADRO CC(C)[C@@H](C[NH3+])C(=O)N1CCN([C@H](C)c2ccc(Br)cc2)CC1 ZINC000433177662 563604937 /nfs/dbraw/zinc/60/49/37/563604937.db2.gz VGYGJSJBCKCMJV-RHSMWYFYSA-N 1 0 382.346 2.885 20 0 GFADRO C[C@@H]1[C@H](C)N(C(=O)Nc2ccc3nccnc3c2Br)CC[N@H+]1C ZINC000332592587 563606450 /nfs/dbraw/zinc/60/64/50/563606450.db2.gz LANQRCSVIUAKCO-MNOVXSKESA-N 1 0 378.274 2.949 20 0 GFADRO O=C(NCC[N@H+]1CC=CCC1)Nc1ccc2nccnc2c1Br ZINC000287583226 563608549 /nfs/dbraw/zinc/60/85/49/563608549.db2.gz FQFLGMUVIHODFA-UHFFFAOYSA-N 1 0 376.258 2.776 20 0 GFADRO COCCOc1ccc(Br)cc1NC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000332636267 563608722 /nfs/dbraw/zinc/60/87/22/563608722.db2.gz FJONKRWYXMFTLD-AWEZNQCLSA-N 1 0 398.301 2.786 20 0 GFADRO C[C@@H]1CN(C(=O)C(=O)N2CCc3cc(Cl)c(Cl)cc3[C@@H]2C)CC[C@@H]1[NH3+] ZINC000332634112 563608889 /nfs/dbraw/zinc/60/88/89/563608889.db2.gz VJRQOAIKDSECON-GDLVEWKHSA-N 1 0 384.307 2.635 20 0 GFADRO CC(C)(C)S(=O)(=O)N1CCC([NH2+]Cc2ncc(C(F)(F)F)s2)CC1 ZINC000433345748 563609963 /nfs/dbraw/zinc/60/99/63/563609963.db2.gz YXXQWCLJANLXSG-UHFFFAOYSA-N 1 0 385.477 2.844 20 0 GFADRO Cc1ccc(F)c(Br)c1NC(=O)C(=O)N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000332656680 563610278 /nfs/dbraw/zinc/61/02/78/563610278.db2.gz ZQQDGZSBNOKPBD-VXGBXAGGSA-N 1 0 398.276 2.530 20 0 GFADRO Cc1c(C(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)nnn1-c1cccc(Br)c1 ZINC000332677684 563610884 /nfs/dbraw/zinc/61/08/84/563610884.db2.gz RQOQDAZEZTWYBQ-BXUZGUMPSA-N 1 0 392.301 2.551 20 0 GFADRO Cc1cc(Br)c(NC(=O)C(=O)NC[C@H]2CCC[N@H+]2C)cc1Cl ZINC000411242633 563611523 /nfs/dbraw/zinc/61/15/23/563611523.db2.gz KLKDACSOZFABPP-SNVBAGLBSA-N 1 0 388.693 2.560 20 0 GFADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)Nc3ccc4nccnc4c3Br)[C@H]2C1 ZINC000287796657 563618146 /nfs/dbraw/zinc/61/81/46/563618146.db2.gz TUZCFTBEXMOHLX-RISCZKNCSA-N 1 0 390.285 2.950 20 0 GFADRO O=C(Nc1cnn(-c2ccccc2Br)c1)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000333113748 563620769 /nfs/dbraw/zinc/62/07/69/563620769.db2.gz GXQWELXGOBANBM-STQMWFEESA-N 1 0 390.285 2.708 20 0 GFADRO C[C@H](Cc1ccc(F)c(Br)c1)NC(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000333149492 563621910 /nfs/dbraw/zinc/62/19/10/563621910.db2.gz FBRMZYAZHCBVMD-HBCZOZSTSA-N 1 0 384.293 2.898 20 0 GFADRO CS[C@@H]1CN(CCC(=O)NCc2ccccc2Cl)C[C@@H]1[NH+]1CCCC1 ZINC000411529673 563622180 /nfs/dbraw/zinc/62/21/80/563622180.db2.gz UVHBAIIPRPDOEO-ZWKOTPCHSA-N 1 0 381.973 2.858 20 0 GFADRO O=C(C[NH2+][C@H](c1cc(F)cc(Br)c1)C1CC1)NC[C@H]1CCCO1 ZINC000411559072 563623811 /nfs/dbraw/zinc/62/38/11/563623811.db2.gz NCGFTLXSBXIKOJ-WBVHZDCISA-N 1 0 385.277 2.924 20 0 GFADRO CC[C@H]([NH2+]C[C@H](O)Cc1cccc(Cl)c1)c1cccc(S(N)(=O)=O)c1 ZINC000287964392 563624471 /nfs/dbraw/zinc/62/44/71/563624471.db2.gz YYPIIBXKYGNDSA-AEFFLSMTSA-N 1 0 382.913 2.632 20 0 GFADRO CC[C@H]([NH2+]C[C@@H](O)Cc1cccc(Cl)c1)c1cccc(S(N)(=O)=O)c1 ZINC000287965894 563624529 /nfs/dbraw/zinc/62/45/29/563624529.db2.gz YYPIIBXKYGNDSA-WMZOPIPTSA-N 1 0 382.913 2.632 20 0 GFADRO [NH3+][C@H]1CCO[C@H](C2CCN(C(=O)Cc3ccc(Br)c(F)c3)CC2)C1 ZINC000333254421 563625998 /nfs/dbraw/zinc/62/59/98/563625998.db2.gz HOPBTXGATDMVNV-YOEHRIQHSA-N 1 0 399.304 2.876 20 0 GFADRO CN(C)c1cc(NC(=O)N2CCC3(CC[NH2+]C3)CC2)ncc1Br ZINC000333255796 563626016 /nfs/dbraw/zinc/62/60/16/563626016.db2.gz DEGOPJCPLDKXFU-UHFFFAOYSA-N 1 0 382.306 2.518 20 0 GFADRO Cc1nc(S(=O)(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)sc1C ZINC000333301585 563627235 /nfs/dbraw/zinc/62/72/35/563627235.db2.gz SXJCESSNAKQQNP-KRWDZBQOSA-N 1 0 379.551 2.903 20 0 GFADRO COc1cc(OC)c(NC(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)cc1Br ZINC000333364927 563629193 /nfs/dbraw/zinc/62/91/93/563629193.db2.gz UEJLHHTWASDENX-CMPLNLGQSA-N 1 0 384.274 2.682 20 0 GFADRO COc1cc(OC)c(NC(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)cc1Br ZINC000333364098 563629484 /nfs/dbraw/zinc/62/94/84/563629484.db2.gz TZVIQXRXCKRJNZ-GHMZBOCLSA-N 1 0 384.274 2.540 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)Nc3ccc4nccnc4c3Br)C[C@H]21 ZINC000333370512 563629583 /nfs/dbraw/zinc/62/95/83/563629583.db2.gz UYWFAEMVVHIDPT-IJLUTSLNSA-N 1 0 390.285 2.983 20 0 GFADRO COC(=O)C[C@@](C)([NH2+]CC(=O)N(C)C(C)C)c1ccc(Br)cc1 ZINC000411728744 563631596 /nfs/dbraw/zinc/63/15/96/563631596.db2.gz UEGDUYOJLTVOFI-QGZVFWFLSA-N 1 0 385.302 2.684 20 0 GFADRO O=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)C(=O)Nc1ccc(Br)c(F)c1 ZINC000434555515 563632442 /nfs/dbraw/zinc/63/24/42/563632442.db2.gz JRVDCCQDKCJIAG-ZDUSSCGKSA-N 1 0 398.276 2.660 20 0 GFADRO Cc1ncsc1CCS(=O)(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000333458651 563633539 /nfs/dbraw/zinc/63/35/39/563633539.db2.gz UBDPIMROTHQXMY-WBVHZDCISA-N 1 0 385.599 2.910 20 0 GFADRO O=C(N[C@@H]1CCC[NH2+]C1)N1CCC[C@@H](Nc2cccc(Br)c2)C1 ZINC000333493985 563634133 /nfs/dbraw/zinc/63/41/33/563634133.db2.gz DOYZKBWPCYJDSN-HZPDHXFCSA-N 1 0 381.318 2.787 20 0 GFADRO Cc1cc(C(=O)N2CC[NH2+][C@H](C)[C@@H]2C)nn1-c1ccc(Br)cc1 ZINC000434702042 563635558 /nfs/dbraw/zinc/63/55/58/563635558.db2.gz IZGBMQMIRFFQBY-OLZOCXBDSA-N 1 0 377.286 2.766 20 0 GFADRO O=C(NC1CC1)[C@@H](O)C1CC[NH+](CCCc2ccccc2Br)CC1 ZINC000434712999 563636235 /nfs/dbraw/zinc/63/62/35/563636235.db2.gz XXKDCVNDTKNEBG-SFHVURJKSA-N 1 0 395.341 2.733 20 0 GFADRO O=C(NCc1cc2cc(Br)ccc2[nH]1)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000333651852 563638049 /nfs/dbraw/zinc/63/80/49/563638049.db2.gz VWWMYPDXFGQIRX-AAEUAGOBSA-N 1 0 377.286 2.681 20 0 GFADRO C[C@H](NC(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1)c1ccc(Br)cn1 ZINC000333647525 563638174 /nfs/dbraw/zinc/63/81/74/563638174.db2.gz VGWCOQPCXCARLY-GXTWGEPZSA-N 1 0 381.318 2.936 20 0 GFADRO COC[C@@H]([NH2+]CCS(=O)(=O)c1cc(Cl)ccc1Cl)[C@H]1CCCO1 ZINC000434781667 563638248 /nfs/dbraw/zinc/63/82/48/563638248.db2.gz AMXSCOFLUCNSJE-ZIAGYGMSSA-N 1 0 382.309 2.551 20 0 GFADRO COc1nc(C)c(Br)cc1C(=O)N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C ZINC000288339991 563638876 /nfs/dbraw/zinc/63/88/76/563638876.db2.gz JTZWBYQNXBEABF-AAEUAGOBSA-N 1 0 382.302 2.860 20 0 GFADRO O=C(C[N@@H+]1CCSC2(CCC2)CC1)N1CCN(Cc2cccs2)CC1 ZINC000411873151 563639165 /nfs/dbraw/zinc/63/91/65/563639165.db2.gz XLBUSMSLUCAJPP-UHFFFAOYSA-N 1 0 379.595 2.754 20 0 GFADRO CN1C(=O)NCC12CCN(Cc1nc3cc(Br)ccc3o1)CC2 ZINC000333679618 563639266 /nfs/dbraw/zinc/63/92/66/563639266.db2.gz DZQJRXZFFQSEQH-UHFFFAOYSA-N 1 0 379.258 2.580 20 0 GFADRO CN(C)c1cc(NC(=O)N2CC[C@@H](O)C23CCCC3)ncc1Br ZINC000333729006 563640401 /nfs/dbraw/zinc/64/04/01/563640401.db2.gz WIDGRWKIMRAWEU-CYBMUJFWSA-N 1 0 383.290 2.821 20 0 GFADRO O=C(N[C@@H]1COc2cc(F)c(Br)cc21)N1CCC2(CC[NH2+]C2)CC1 ZINC000333786454 563641714 /nfs/dbraw/zinc/64/17/14/563641714.db2.gz LTZBSUQHPGHAOK-CQSZACIVSA-N 1 0 398.276 2.807 20 0 GFADRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)N[C@@H]3C[C@H]3c3ccc(Br)c(F)c3)C[C@@H]12 ZINC000333800059 563642342 /nfs/dbraw/zinc/64/23/42/563642342.db2.gz NYJZOEIXVVKXER-YYFFNPIBSA-N 1 0 382.277 2.823 20 0 GFADRO COc1ccc(C(=O)N2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)cc1Br ZINC000333826754 563643147 /nfs/dbraw/zinc/64/31/47/563643147.db2.gz LSSWXXAJBGMVBA-NVXWUHKLSA-N 1 0 397.313 2.816 20 0 GFADRO [NH3+][C@H]1CCCO[C@@H]1C1CCN(C(=O)Cc2ccc(Br)cc2)CC1 ZINC000333843906 563643182 /nfs/dbraw/zinc/64/31/82/563643182.db2.gz OUSYTMKDVKNTQY-FUHWJXTLSA-N 1 0 381.314 2.737 20 0 GFADRO Cc1cccc(CNC(=O)N2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)c1Br ZINC000333837293 563643273 /nfs/dbraw/zinc/64/32/73/563643273.db2.gz ULZOXVQCDANCGB-WBVHZDCISA-N 1 0 396.329 2.795 20 0 GFADRO C[C@H](NC(=O)C[NH2+][C@@H](CO)[C@@H]1CCCOC1)c1ccc(Cl)cc1Cl ZINC000411989610 563643389 /nfs/dbraw/zinc/64/33/89/563643389.db2.gz HTYKBTYMSKURJR-OZVIIMIRSA-N 1 0 375.296 2.548 20 0 GFADRO [NH3+][C@@H]1CCCO[C@H]1C1CCN(C(=O)c2c(F)cccc2Br)CC1 ZINC000333849522 563643971 /nfs/dbraw/zinc/64/39/71/563643971.db2.gz PTIWQQMDQYXBEF-ZBFHGGJFSA-N 1 0 385.277 2.947 20 0 GFADRO C[NH+](C)C1(CNS(=O)(=O)c2cc(F)ccc2Br)CCCC1 ZINC000435224411 563646319 /nfs/dbraw/zinc/64/63/19/563646319.db2.gz DWRQHQLNJZQYIP-UHFFFAOYSA-N 1 0 379.295 2.741 20 0 GFADRO O=C(NC1CC[NH+](C2CCCC2)CC1)c1nc2ccc(Br)cn2n1 ZINC000333943472 563646402 /nfs/dbraw/zinc/64/64/02/563646402.db2.gz QZXFJQNIKRUVGF-UHFFFAOYSA-N 1 0 392.301 2.629 20 0 GFADRO O=C(c1cc(-c2ccc(Br)cc2)n[nH]1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000435234134 563646658 /nfs/dbraw/zinc/64/66/58/563646658.db2.gz DWRAGUZSKIDUDN-CQSZACIVSA-N 1 0 375.270 2.806 20 0 GFADRO O=C(c1cnn(-c2ccc(Br)cc2)c1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000435245718 563646799 /nfs/dbraw/zinc/64/67/99/563646799.db2.gz CZQHZMBIFDHEGU-MRXNPFEDSA-N 1 0 375.270 2.601 20 0 GFADRO CNc1cc(I)ccc1C(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000412126074 563648725 /nfs/dbraw/zinc/64/87/25/563648725.db2.gz DVBBWNHVCZISIX-PWSUYJOCSA-N 1 0 387.265 2.545 20 0 GFADRO C[C@H]1c2c(Cl)cc(Cl)cc2CCN1C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000435417046 563649592 /nfs/dbraw/zinc/64/95/92/563649592.db2.gz QWEVJIFIVLQHGR-WFASDCNBSA-N 1 0 385.339 2.868 20 0 GFADRO Cc1sc(Br)c(C(=O)NCCC[N@@H+](C)CCN(C)C)c1C ZINC000288743986 563656006 /nfs/dbraw/zinc/65/60/06/563656006.db2.gz PNYVYLIMBAXDKQ-UHFFFAOYSA-N 1 0 376.364 2.741 20 0 GFADRO Brc1csc(-c2noc(-c3cn(C4CC[NH2+]CC4)nn3)n2)c1 ZINC000435727699 563656896 /nfs/dbraw/zinc/65/68/96/563656896.db2.gz DTGNCRSVRKJKGJ-UHFFFAOYSA-N 1 0 381.259 2.744 20 0 GFADRO Cc1ncsc1CN(CC(=O)N[C@H](C)c1cccs1)C[C@H]1CC[NH2+]C1 ZINC000435737793 563657461 /nfs/dbraw/zinc/65/74/61/563657461.db2.gz LZPWKEHPZXFQJN-CABCVRRESA-N 1 0 378.567 2.802 20 0 GFADRO C[NH+](C)CCc1ccccc1NC(=O)NCCCn1cc(Br)cn1 ZINC000288831392 563658942 /nfs/dbraw/zinc/65/89/42/563658942.db2.gz NBHAFMLMZQRJHT-UHFFFAOYSA-N 1 0 394.317 2.962 20 0 GFADRO O=C(NCC1(O)CC[NH+](Cc2ccccc2)CC1)c1cc(Br)co1 ZINC000412769532 563669098 /nfs/dbraw/zinc/66/90/98/563669098.db2.gz DLEPUUXTHCATEG-UHFFFAOYSA-N 1 0 393.281 2.799 20 0 GFADRO C[NH+](C)CCOc1ccccc1-c1nc(Cn2cc(Br)cn2)no1 ZINC000289157958 563670320 /nfs/dbraw/zinc/67/03/20/563670320.db2.gz UGSKTLJSJSAKNF-UHFFFAOYSA-N 1 0 392.257 2.684 20 0 GFADRO C[NH+](C)C1CCN(C(=O)Cc2noc(-c3cscc3Br)n2)CC1 ZINC000350276139 563670460 /nfs/dbraw/zinc/67/04/60/563670460.db2.gz MODHBFKGXWUKPK-UHFFFAOYSA-N 1 0 399.314 2.656 20 0 GFADRO O[C@@H]1[C@H](C[NH2+]Cc2nc3ccccn3c2Br)CCC12CCOCC2 ZINC000289662427 563682189 /nfs/dbraw/zinc/68/21/89/563682189.db2.gz LZHGKPBLZLRBMF-XJKSGUPXSA-N 1 0 394.313 2.754 20 0 GFADRO CC[NH+](CC)C[C@H](C)NC(=O)NCc1cc(Cl)cc(S(=O)(=O)CC)c1 ZINC000413179595 563684477 /nfs/dbraw/zinc/68/44/77/563684477.db2.gz OETRSYNBWWZMJC-ZDUSSCGKSA-N 1 0 389.949 2.663 20 0 GFADRO C[C@H](CS(C)(=O)=O)[NH2+]Cc1cc(Br)cc(Br)c1 ZINC000289736594 563684649 /nfs/dbraw/zinc/68/46/49/563684649.db2.gz MZCGPYKGLIITSX-MRVPVSSYSA-N 1 0 385.121 2.734 20 0 GFADRO C[C@@H](CS(C)(=O)=O)[NH2+]Cc1cc(Br)cc(Br)c1 ZINC000289736601 563684960 /nfs/dbraw/zinc/68/49/60/563684960.db2.gz MZCGPYKGLIITSX-QMMMGPOBSA-N 1 0 385.121 2.734 20 0 GFADRO C[C@H](Cc1ccc(F)cc1Br)[NH2+][C@H]1CCN(c2cnn(C)c2)C1=O ZINC000289748339 563685845 /nfs/dbraw/zinc/68/58/45/563685845.db2.gz NUHVRHQNZGSPCP-BZNIZROVSA-N 1 0 395.276 2.648 20 0 GFADRO COc1ccc([C@H](NC(=O)[C@H](C[NH3+])OC)c2ccccc2)cc1Br ZINC000289845039 563688637 /nfs/dbraw/zinc/68/86/37/563688637.db2.gz FKRGFUQNHXGLLZ-DLBZAZTESA-N 1 0 393.281 2.637 20 0 GFADRO OCc1cn(CCC[NH2+][C@@H](c2ccc(Br)cc2F)C2CC2)nn1 ZINC000289877646 563690100 /nfs/dbraw/zinc/69/01/00/563690100.db2.gz RXDAXDWVBZPEIE-MRXNPFEDSA-N 1 0 383.265 2.803 20 0 GFADRO O[C@@H]1[C@@H](C[NH2+]Cc2cn3ccc(Br)cc3n2)CCC12CCOCC2 ZINC000289888867 563690261 /nfs/dbraw/zinc/69/02/61/563690261.db2.gz QFMCNTKMWRHZEQ-CXAGYDPISA-N 1 0 394.313 2.754 20 0 GFADRO Cc1[nH]cc(C(=O)N2CCC[C@H]([NH+]3CCCCC3)C2)c(=O)c1Br ZINC000359892355 563690727 /nfs/dbraw/zinc/69/07/27/563690727.db2.gz BGCAEQANRWLRPO-ZDUSSCGKSA-N 1 0 382.302 2.536 20 0 GFADRO C[NH+](C)CCN1CCCN(C(=O)c2cc3c(cccc3Br)[nH]2)CC1 ZINC000360272029 563692174 /nfs/dbraw/zinc/69/21/74/563692174.db2.gz XCZPVSLKVHRENV-UHFFFAOYSA-N 1 0 393.329 2.640 20 0 GFADRO C[C@]1(C[C@H]2CCC[N@@H+]2Cc2ccc(Br)c(F)c2)NC(=O)NC1=O ZINC000289950793 563692217 /nfs/dbraw/zinc/69/22/17/563692217.db2.gz YSBKZTZHABKDGK-BDJLRTHQSA-N 1 0 384.249 2.541 20 0 GFADRO C[C@@H](C(=O)N1CCCN(CC[NH+](C)C)CC1)c1ccc(Br)s1 ZINC000360491905 563692650 /nfs/dbraw/zinc/69/26/50/563692650.db2.gz ZXGFCGAZVFRWNT-CYBMUJFWSA-N 1 0 388.375 2.710 20 0 GFADRO O=C1C[C@@H]([C@H]2CCCC[N@H+]2Cc2cnc3ccc(Br)cn23)CN1 ZINC000360810034 563695350 /nfs/dbraw/zinc/69/53/50/563695350.db2.gz NQRIBEDIHCWCML-IUODEOHRSA-N 1 0 377.286 2.587 20 0 GFADRO Cc1ccc(Br)c(C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)c1 ZINC000361300484 563698621 /nfs/dbraw/zinc/69/86/21/563698621.db2.gz VZIYGQZZZIHXQL-OAHLLOKOSA-N 1 0 380.330 2.610 20 0 GFADRO O=C(C[NH2+]Cc1cc(Br)cc(Br)c1)NCC(F)F ZINC000290201664 563701099 /nfs/dbraw/zinc/70/10/99/563701099.db2.gz USYTYPPFWWHTOP-UHFFFAOYSA-N 1 0 386.034 2.683 20 0 GFADRO FC(F)(F)c1cccnc1OCC[NH2+]Cc1cnc(C2OCCO2)s1 ZINC000290227541 563701873 /nfs/dbraw/zinc/70/18/73/563701873.db2.gz FOIWQLNMLKNQLQ-UHFFFAOYSA-N 1 0 375.372 2.771 20 0 GFADRO CN(C)S(=O)(=O)CC[NH2+][C@@H]1CCCc2nc(-c3ccccc3F)sc21 ZINC000290290014 563703815 /nfs/dbraw/zinc/70/38/15/563703815.db2.gz XWSMRLYLXQXWAG-CQSZACIVSA-N 1 0 383.514 2.808 20 0 GFADRO COc1cc(F)cc(C[NH2+]C2CCN(S(=O)(=O)c3cccs3)CC2)c1 ZINC000362308584 563705442 /nfs/dbraw/zinc/70/54/42/563705442.db2.gz FOMQNIPIMIRIEP-UHFFFAOYSA-N 1 0 384.498 2.839 20 0 GFADRO Cn1ccnc1Sc1ncc(C(=O)NCC2([NH+](C)C)CCC2)cc1Cl ZINC000438525379 563706425 /nfs/dbraw/zinc/70/64/25/563706425.db2.gz ZKKWJOLZZWIESC-UHFFFAOYSA-N 1 0 379.917 2.834 20 0 GFADRO NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1Cc1nnc(-c2ccc(Br)o2)o1 ZINC000362445639 563707233 /nfs/dbraw/zinc/70/72/33/563707233.db2.gz AVXMPJXPLFGXJK-AXFHLTTASA-N 1 0 395.257 2.711 20 0 GFADRO Cc1cc(C(=O)N2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)ccc1Br ZINC000362726992 563708691 /nfs/dbraw/zinc/70/86/91/563708691.db2.gz RADGETDFHSXHIX-QGZVFWFLSA-N 1 0 394.357 2.998 20 0 GFADRO CCC[NH+]1CCN(C2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)CC1 ZINC000362747398 563708736 /nfs/dbraw/zinc/70/87/36/563708736.db2.gz HINGZGLAIXQBCT-UHFFFAOYSA-N 1 0 385.961 2.521 20 0 GFADRO O=C(Nc1ccc(Br)nc1)c1cnn(CC[NH+]2CCCCC2)c1 ZINC000362803546 563709572 /nfs/dbraw/zinc/70/95/72/563709572.db2.gz WLLCSDYWIKLALD-UHFFFAOYSA-N 1 0 378.274 2.779 20 0 GFADRO Cc1cc(C(C)(C)C(=O)NC[C@@H](C)N2CC[NH+](C)CC2)ccc1Br ZINC000290474915 563711407 /nfs/dbraw/zinc/71/14/07/563711407.db2.gz LMTUMRWAIVUGFC-OAHLLOKOSA-N 1 0 396.373 2.787 20 0 GFADRO O[C@H](C[NH+]1CCC(c2nnc3n2CCC3)CC1)c1cccc(Br)c1 ZINC000363023972 563712699 /nfs/dbraw/zinc/71/26/99/563712699.db2.gz YRZGOSPKFBESOI-MRXNPFEDSA-N 1 0 391.313 2.900 20 0 GFADRO O=C(NC1CC[NH+](CCc2ccncc2)CC1)c1ccc(Br)cn1 ZINC000363104732 563714237 /nfs/dbraw/zinc/71/42/37/563714237.db2.gz MWKTZZYGHQJQHZ-UHFFFAOYSA-N 1 0 389.297 2.676 20 0 GFADRO Cc1ccc(S(=O)(=O)N(C)C2CC[NH+](CCc3ccncc3)CC2)s1 ZINC000363105192 563714467 /nfs/dbraw/zinc/71/44/67/563714467.db2.gz TXDBNHMZPQBUKH-UHFFFAOYSA-N 1 0 379.551 2.779 20 0 GFADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]CCc1ccc2c(c1)OCCO2 ZINC000414055640 563717298 /nfs/dbraw/zinc/71/72/98/563717298.db2.gz CUAQALYNSPUTPS-CYBMUJFWSA-N 1 0 393.281 2.603 20 0 GFADRO CCS(=O)(=O)N1CC(C[NH2+][C@@H](CSC)c2ccc(C(F)(F)F)cc2)C1 ZINC000439132431 563717714 /nfs/dbraw/zinc/71/77/14/563717714.db2.gz QCAYJTCFHPGKMY-HNNXBMFYSA-N 1 0 396.500 2.981 20 0 GFADRO Cc1c(Br)cccc1C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000363278144 563718006 /nfs/dbraw/zinc/71/80/06/563718006.db2.gz JPOABYLKSGAZFP-HNNXBMFYSA-N 1 0 380.330 2.610 20 0 GFADRO C[C@@H]([NH2+]C[C@@H](O)COc1ccccc1Br)c1cc2n(n1)CCC2 ZINC000414087145 563718728 /nfs/dbraw/zinc/71/87/28/563718728.db2.gz ICXPTXUUSMRJTF-TZMCWYRMSA-N 1 0 380.286 2.682 20 0 GFADRO C[C@@H](Cn1cc(Br)ccc1=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000414115877 563719349 /nfs/dbraw/zinc/71/93/49/563719349.db2.gz PWDJCVSTLVBQNL-WMLDXEAASA-N 1 0 382.346 2.853 20 0 GFADRO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]Cc1ccc(C[S@](C)=O)cc1 ZINC000414122573 563720128 /nfs/dbraw/zinc/72/01/28/563720128.db2.gz BFADXABVVKBQBV-NPMABZOXSA-N 1 0 397.338 2.668 20 0 GFADRO C[NH+]1CCN(C[C@@H](O)COc2c(Cl)cc(Cl)cc2Br)CC1 ZINC000414129925 563720134 /nfs/dbraw/zinc/72/01/34/563720134.db2.gz WDRBFLXIMBHBDP-LLVKDONJSA-N 1 0 398.128 2.743 20 0 GFADRO C[C@H](Cc1cnccn1)[NH2+]C[C@H](CO)Cc1cc(F)cc(Br)c1 ZINC000414172347 563721678 /nfs/dbraw/zinc/72/16/78/563721678.db2.gz DXJUFQACKBOYGP-TZMCWYRMSA-N 1 0 382.277 2.750 20 0 GFADRO Cc1ccc(Br)c(S(=O)(=O)NCC[NH2+][C@H](C)[C@@H]2C[C@H]2C)c1 ZINC000414169601 563721826 /nfs/dbraw/zinc/72/18/26/563721826.db2.gz VPBGXLZMRDDZKJ-JHJVBQTASA-N 1 0 375.332 2.670 20 0 GFADRO CC[NH+](CC)[C@@H](CNCc1ccc(S(N)(=O)=O)c(Cl)c1)CC(C)C ZINC000414275286 563724757 /nfs/dbraw/zinc/72/47/57/563724757.db2.gz RJQVEQJKTSTAPR-OAHLLOKOSA-N 1 0 375.966 2.834 20 0 GFADRO C[C@@H]1[C@H](N2CCOCC2)CCN1C(=O)c1cn2cc(Cl)cc(Cl)c2n1 ZINC000290876813 563724949 /nfs/dbraw/zinc/72/49/49/563724949.db2.gz JJIBZLNXUNWCPA-IAQYHMDHSA-N 1 0 383.279 2.576 20 0 GFADRO OC[C@@H]([NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1)c1ccsc1 ZINC000439438565 563724985 /nfs/dbraw/zinc/72/49/85/563724985.db2.gz LHERTIFZZATLEH-UKRRQHHQSA-N 1 0 390.274 2.713 20 0 GFADRO C[C@@H]1CCC[C@H](CO)[N@@H+]1C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000439449476 563725884 /nfs/dbraw/zinc/72/58/84/563725884.db2.gz ISUXYLGIPAMIAJ-DFBGVHRSSA-N 1 0 376.266 2.563 20 0 GFADRO CNc1snc(C)c1C(=O)N[C@@H]1CC[N@H+](Cc2cnc(C)s2)C[C@H]1C ZINC000363550352 563726032 /nfs/dbraw/zinc/72/60/32/563726032.db2.gz AHQHUMJHQKDGHK-QMTHXVAHSA-N 1 0 379.555 2.899 20 0 GFADRO Cc1cccc(CC[NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)c1 ZINC000414313460 563726217 /nfs/dbraw/zinc/72/62/17/563726217.db2.gz BPITWBLYVMGCLS-UHFFFAOYSA-N 1 0 383.311 2.737 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(I)c(F)c1 ZINC000363568943 563726911 /nfs/dbraw/zinc/72/69/11/563726911.db2.gz HQXYDLZZUWRDRI-VXGBXAGGSA-N 1 0 388.224 2.787 20 0 GFADRO CSC[C@](C)(O)C[NH2+]Cc1c(Br)cncc1Br ZINC000290944108 563727224 /nfs/dbraw/zinc/72/72/24/563727224.db2.gz UKRUAWYUWQIERV-LLVKDONJSA-N 1 0 384.137 2.810 20 0 GFADRO CCS(=O)(=O)CCC[NH2+][C@H](C)CC(=O)Nc1cccc(Br)c1 ZINC000414343666 563728626 /nfs/dbraw/zinc/72/86/26/563728626.db2.gz QREGUIQPBWJDPF-GFCCVEGCSA-N 1 0 391.331 2.581 20 0 GFADRO CS(=O)(=O)c1ccc(C[NH2+]C[C@H](CO)Cc2c(F)cccc2Cl)s1 ZINC000414360507 563729078 /nfs/dbraw/zinc/72/90/78/563729078.db2.gz QRFVYWICTVFTIU-LLVKDONJSA-N 1 0 391.917 2.885 20 0 GFADRO CCCS(=O)(=O)CCN1CCC([C@@H]2c3ccc(Cl)cc3NC2=O)CC1 ZINC000363657702 563729295 /nfs/dbraw/zinc/72/92/95/563729295.db2.gz DZAUTKPXKZDNBJ-QGZVFWFLSA-N 1 0 384.929 2.913 20 0 GFADRO CCCCCn1cc(C[NH2+]Cc2ccc(S(N)(=O)=O)c(Cl)c2)c(C)n1 ZINC000414367106 563730049 /nfs/dbraw/zinc/73/00/49/563730049.db2.gz PWOPGZCORLKHIA-UHFFFAOYSA-N 1 0 384.933 2.972 20 0 GFADRO CN1CC[C@H]([NH2+]Cc2ccc(S(C)(=O)=O)s2)[C@@H]1c1ccc(F)c(F)c1 ZINC000414369154 563730057 /nfs/dbraw/zinc/73/00/57/563730057.db2.gz TYOVQHLCASJRNX-RDJZCZTQSA-N 1 0 386.489 2.965 20 0 GFADRO O=C(CCc1cc(F)ccc1Br)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000363730639 563731451 /nfs/dbraw/zinc/73/14/51/563731451.db2.gz QCWWMXUSDSNSNE-INIZCTEOSA-N 1 0 399.304 2.890 20 0 GFADRO CC1CC[NH+](CCNC(=O)C(=O)Nc2cc(Cl)c(Cl)cc2F)CC1 ZINC000439746155 563731473 /nfs/dbraw/zinc/73/14/73/563731473.db2.gz PQRGZNOCNHYPFC-UHFFFAOYSA-N 1 0 376.259 2.919 20 0 GFADRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)Nc1cc(Cl)c(Cl)cc1F ZINC000439841853 563732685 /nfs/dbraw/zinc/73/26/85/563732685.db2.gz FNTJSSIOXDQIEU-SNVBAGLBSA-N 1 0 376.259 2.871 20 0 GFADRO CCC(CC)[C@@H](CNS(=O)(=O)c1cc2c(cc1Cl)OCCO2)[NH+](C)C ZINC000440079296 563735513 /nfs/dbraw/zinc/73/55/13/563735513.db2.gz OPRHRAXEORRUOC-CQSZACIVSA-N 1 0 390.933 2.756 20 0 GFADRO Cc1c(I)cccc1C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000363941274 563737871 /nfs/dbraw/zinc/73/78/71/563737871.db2.gz RIYPUCYOPQPNML-CHWSQXEVSA-N 1 0 384.261 2.956 20 0 GFADRO Cc1c(S(=O)(=O)N2CCCC[C@@H]2[C@@H](C)[NH3+])cnn1-c1ccc(Cl)cc1 ZINC000440355850 563739722 /nfs/dbraw/zinc/73/97/22/563739722.db2.gz NPOVKADXINNWRU-MLGOLLRUSA-N 1 0 382.917 2.725 20 0 GFADRO C[NH+](C)CCN(C1CC1)S(=O)(=O)c1cccc(Br)c1Cl ZINC000414459895 563740717 /nfs/dbraw/zinc/74/07/17/563740717.db2.gz JAQGRCYGLGIOCB-UHFFFAOYSA-N 1 0 381.723 2.817 20 0 GFADRO CC(C)[C@@H]([NH3+])CNS(=O)(=O)c1ccc(Br)cc1C(F)(F)F ZINC000440402460 563741506 /nfs/dbraw/zinc/74/15/06/563741506.db2.gz CLCCWUZEOFNWMI-JTQLQIEISA-N 1 0 389.237 2.730 20 0 GFADRO CCOc1cc(C[NH2+][C@H](C)C(=O)NCc2ccco2)cc(Br)c1O ZINC000291400496 563741806 /nfs/dbraw/zinc/74/18/06/563741806.db2.gz DVSWEEWDJWEHQM-LLVKDONJSA-N 1 0 397.269 2.941 20 0 GFADRO CCOc1cc(C[NH2+][C@@H](C)C(=O)NCc2ccco2)cc(Br)c1O ZINC000291400498 563741852 /nfs/dbraw/zinc/74/18/52/563741852.db2.gz DVSWEEWDJWEHQM-NSHDSACASA-N 1 0 397.269 2.941 20 0 GFADRO CS(=O)(=O)c1cc(C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)c(Cl)cc1Cl ZINC000364079344 563742593 /nfs/dbraw/zinc/74/25/93/563742593.db2.gz SWLFSMMUFBJOAS-QWRGUYRKSA-N 1 0 391.320 2.754 20 0 GFADRO CCOc1c(Br)cc(C[NH2+][C@H](CO)[C@H]2CCCOC2)cc1OC ZINC000414540588 563746134 /nfs/dbraw/zinc/74/61/34/563746134.db2.gz BXOSADBVOCMKBY-DZGCQCFKSA-N 1 0 388.302 2.734 20 0 GFADRO CS[C@@H]1CN(C(=O)c2cc(Cl)ncc2Br)C[C@@H]1[NH+](C)C ZINC000291528337 563746482 /nfs/dbraw/zinc/74/64/82/563746482.db2.gz VTVVKOSRUNPMOJ-WDEREUQCSA-N 1 0 378.723 2.615 20 0 GFADRO Cc1cc(Br)cn2c(C[NH2+]C(C)(C)CN3CCOCC3)cnc12 ZINC000414553308 563747203 /nfs/dbraw/zinc/74/72/03/563747203.db2.gz KZALKIQPFLFZBX-UHFFFAOYSA-N 1 0 381.318 2.606 20 0 GFADRO [NH3+][C@H]1CCC[C@]12CCN(C(=O)c1cc(Br)c3c(c1)OCCO3)C2 ZINC000364258587 563747379 /nfs/dbraw/zinc/74/73/79/563747379.db2.gz OIBSJLVYUMIMFD-WMLDXEAASA-N 1 0 381.270 2.564 20 0 GFADRO COC(=O)[C@@H]1CSCC[N@H+](Cc2c(Cl)cccc2N2CCOCC2)C1 ZINC000414582761 563747661 /nfs/dbraw/zinc/74/76/61/563747661.db2.gz LMRBJTQHSJNIBK-AWEZNQCLSA-N 1 0 384.929 2.515 20 0 GFADRO OC[C@@H]1CCC[C@H]([NH2+]Cc2ccc(Br)cc2N2CCOCC2)C1 ZINC000414579923 563747677 /nfs/dbraw/zinc/74/76/77/563747677.db2.gz QGYFPBACDVXXGK-PBHICJAKSA-N 1 0 383.330 2.926 20 0 GFADRO Cc1ccc(C(=O)N2CC[C@]3(CCC[C@@H]3[NH3+])C2)cc1I ZINC000364268320 563748434 /nfs/dbraw/zinc/74/84/34/563748434.db2.gz QCIVCKJYPGTOSR-GOEBONIOSA-N 1 0 384.261 2.943 20 0 GFADRO [NH3+]CC[C@H]1CCCN(S(=O)(=O)c2cc(Br)sc2Cl)C1 ZINC000440811464 563750799 /nfs/dbraw/zinc/75/07/99/563750799.db2.gz SDUSJAZRSDVOCH-MRVPVSSYSA-N 1 0 387.752 2.914 20 0 GFADRO C[C@H]1CN(S(=O)(=O)c2cc(Br)c(Cl)cc2Cl)C[C@@H]1[NH3+] ZINC000440843325 563751618 /nfs/dbraw/zinc/75/16/18/563751618.db2.gz GHDHPOWEPSDWEW-WKEGUHRASA-N 1 0 388.114 2.724 20 0 GFADRO COc1cc(Cl)c(S(=O)(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)cc1OC ZINC000440837225 563751818 /nfs/dbraw/zinc/75/18/18/563751818.db2.gz JBWNNVWVIKIQEK-CQSZACIVSA-N 1 0 388.917 2.510 20 0 GFADRO C[C@]1(CNS(=O)(=O)c2ccc(Cl)cc2Br)CCC[NH2+]C1 ZINC000440859870 563752379 /nfs/dbraw/zinc/75/23/79/563752379.db2.gz NYDOXFMJFPOVFI-ZDUSSCGKSA-N 1 0 381.723 2.771 20 0 GFADRO CCOc1c(Br)cc(Cl)cc1NC(=O)N1CCO[C@H](C[NH3+])C1 ZINC000414766595 563752697 /nfs/dbraw/zinc/75/26/97/563752697.db2.gz DYSJCGWFPHEHFK-SNVBAGLBSA-N 1 0 392.681 2.693 20 0 GFADRO O=C1[C@@H]([NH2+]Cc2cnc3cnccn23)CCN1c1ccc(Cl)cc1Cl ZINC000364524859 563756295 /nfs/dbraw/zinc/75/62/95/563756295.db2.gz COIWIAYEVHWXIO-AWEZNQCLSA-N 1 0 376.247 2.931 20 0 GFADRO O=S(=O)(NCC[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1)c1ccc(F)cc1F ZINC000441338113 563758195 /nfs/dbraw/zinc/75/81/95/563758195.db2.gz RZSXWLVSVRJYPZ-PWSUYJOCSA-N 1 0 386.386 2.954 20 0 GFADRO CCOc1cccc(C[NH2+]CCNS(=O)(=O)c2ccc(Cl)cc2F)c1 ZINC000441375146 563759206 /nfs/dbraw/zinc/75/92/06/563759206.db2.gz AWFMUVBGAVVFIK-UHFFFAOYSA-N 1 0 386.876 2.946 20 0 GFADRO O=C(NCC[C@@H]1CC[NH2+]C1)Nc1cc(F)c(I)c(F)c1 ZINC000415123217 563759534 /nfs/dbraw/zinc/75/95/34/563759534.db2.gz PHDASQFHSSNDAR-QMMMGPOBSA-N 1 0 395.191 2.691 20 0 GFADRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)Nc1cc(Br)ccc1-n1cccn1 ZINC000415158713 563761019 /nfs/dbraw/zinc/76/10/19/563761019.db2.gz IUNQNNHBYLNZGW-RYUDHWBXSA-N 1 0 378.274 2.836 20 0 GFADRO O=C1N[C@@H]2CN(Cc3cccc(Cl)c3Cl)CC[C@@H]2N1C1CC[NH2+]CC1 ZINC000415142370 563761395 /nfs/dbraw/zinc/76/13/95/563761395.db2.gz RHODCARICUSXPC-CVEARBPZSA-N 1 0 383.323 2.714 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)Nc2cc(Br)ccc2-n2cccn2)CC[NH2+]1 ZINC000415169459 563761809 /nfs/dbraw/zinc/76/18/09/563761809.db2.gz VYCANTLVMTUTLI-DGCLKSJQSA-N 1 0 378.274 2.897 20 0 GFADRO C[C@@H](NC(=O)Nc1cc(Br)cnc1OCC(F)(F)F)[C@H](C)[NH3+] ZINC000415179050 563761929 /nfs/dbraw/zinc/76/19/29/563761929.db2.gz UEMJYQUPXYSDDE-NKWVEPMBSA-N 1 0 385.184 2.642 20 0 GFADRO COCCCN(C(=O)c1nc(Br)sc1C)C1CC[NH+](C)CC1 ZINC000291866881 563762225 /nfs/dbraw/zinc/76/22/25/563762225.db2.gz KSZGMLPVACDZDC-UHFFFAOYSA-N 1 0 390.347 2.787 20 0 GFADRO CC[C@@H]([NH3+])CNC(=O)Nc1ccc(CCn2cc(Br)cn2)cc1 ZINC000415210971 563762327 /nfs/dbraw/zinc/76/23/27/563762327.db2.gz LJXBJRDKMBGSMN-CQSZACIVSA-N 1 0 380.290 2.747 20 0 GFADRO O=C(Nc1ccc(F)cc1I)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000415252055 563764029 /nfs/dbraw/zinc/76/40/29/563764029.db2.gz NVKSQHIJNNNZCZ-NXEZZACHSA-N 1 0 389.212 2.504 20 0 GFADRO [NH3+][C@@H]1CCN(C(=O)Nc2ccc(Br)cc2-c2nc(C3CC3)no2)C1 ZINC000415277397 563764568 /nfs/dbraw/zinc/76/45/68/563764568.db2.gz WWXHATAZWQOSGJ-LLVKDONJSA-N 1 0 392.257 2.941 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)C(=O)NCC1([NH3+])CCCCC1 ZINC000415275714 563764581 /nfs/dbraw/zinc/76/45/81/563764581.db2.gz BMMVJSOKQPVJOC-UHFFFAOYSA-N 1 0 382.302 2.728 20 0 GFADRO O=C(Nc1ccc(Cl)cc1I)N[C@@H]1CCC[NH2+]C1 ZINC000415287837 563765233 /nfs/dbraw/zinc/76/52/33/563765233.db2.gz YNURYQYTDCDZAM-SECBINFHSA-N 1 0 379.629 2.818 20 0 GFADRO [NH3+]C[C@H](NC(=O)Nc1ccc(Cl)cc1I)C1CC1 ZINC000415279490 563765420 /nfs/dbraw/zinc/76/54/20/563765420.db2.gz CZTSNYBPVZCNNC-NSHDSACASA-N 1 0 379.629 2.803 20 0 GFADRO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)Nc2nc(-c3ccc(C)s3)cs2)C1 ZINC000415278685 563765540 /nfs/dbraw/zinc/76/55/40/563765540.db2.gz GKVNYYDHBIIVBU-LBPRGKRZSA-N 1 0 378.523 2.577 20 0 GFADRO CCOc1c(Cl)cc(NC(=O)C(=O)N2CCC[C@H](C[NH2+]C)C2)cc1Cl ZINC000415284056 563765624 /nfs/dbraw/zinc/76/56/24/563765624.db2.gz PAIHHUJCDBMICL-LLVKDONJSA-N 1 0 388.295 2.789 20 0 GFADRO C[C@@H]([NH3+])[C@@H](C)NC(=O)Nc1cccc(Oc2ncc(Br)cn2)c1 ZINC000415300952 563766136 /nfs/dbraw/zinc/76/61/36/563766136.db2.gz LGZRPMGKFHORCO-NXEZZACHSA-N 1 0 380.246 2.889 20 0 GFADRO CCC[NH+]1CCC(NC(=O)C(=O)Nc2cc(Cl)c(OC)c(Cl)c2)CC1 ZINC000441990999 563767222 /nfs/dbraw/zinc/76/72/22/563767222.db2.gz ZIDKVFKDPWLKNA-UHFFFAOYSA-N 1 0 388.295 2.931 20 0 GFADRO CCOC(=O)c1c(NC(=O)N[C@@H]2C[NH2+]CC[C@H]2C)sc2c1CCSC2 ZINC000415333145 563767429 /nfs/dbraw/zinc/76/74/29/563767429.db2.gz IRPXGOMVQYOCMC-ZYHUDNBSSA-N 1 0 383.539 2.834 20 0 GFADRO CC(C)c1cc(Br)ccc1NC(=O)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000415340729 563768113 /nfs/dbraw/zinc/76/81/13/563768113.db2.gz NIQAUSMSHSEDQO-LBPRGKRZSA-N 1 0 382.302 2.627 20 0 GFADRO C[C@H]1C[C@H](NC(=O)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)CC[N@@H+]1C ZINC000442143485 563768222 /nfs/dbraw/zinc/76/82/22/563768222.db2.gz GYLJYTWJUZQDTO-GXSJLCMTSA-N 1 0 377.794 2.896 20 0 GFADRO Cc1cnc(Br)c(NC(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c1 ZINC000292007617 563769112 /nfs/dbraw/zinc/76/91/12/563769112.db2.gz IIHGMVDXYYYBBD-LSDHHAIUSA-N 1 0 397.317 2.652 20 0 GFADRO CCOC(=O)c1cc(Br)ccc1NC(=O)N1C[C@H](C[NH3+])C[C@H]1C ZINC000415352184 563769428 /nfs/dbraw/zinc/76/94/28/563769428.db2.gz PDEPJXRAFWUGNX-MNOVXSKESA-N 1 0 384.274 2.827 20 0 GFADRO C[C@H](NC(=O)C(=O)Nc1ccc(Br)c(Cl)c1)[C@H]1CCC[NH2+]C1 ZINC000415357113 563769882 /nfs/dbraw/zinc/76/98/82/563769882.db2.gz VYVBTZZKURKGAI-UWVGGRQHSA-N 1 0 388.693 2.545 20 0 GFADRO [NH3+]CC[C@@H](NC(=O)Nc1cccc(F)c1I)C(F)F ZINC000415355802 563770252 /nfs/dbraw/zinc/77/02/52/563770252.db2.gz GSPVRTRBOMIYIU-MRVPVSSYSA-N 1 0 387.143 2.534 20 0 GFADRO Cc1nn(C)c(NC(=O)N2CC[C@H]([NH3+])C2)c1-c1ccc(Br)cc1 ZINC000415362178 563770526 /nfs/dbraw/zinc/77/05/26/563770526.db2.gz OYVOWDVRNMIOHB-ZDUSSCGKSA-N 1 0 378.274 2.723 20 0 GFADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)Nc2cc(C)cnc2Br)CC1 ZINC000292034091 563770637 /nfs/dbraw/zinc/77/06/37/563770637.db2.gz LECCGCWISALYKX-AWEZNQCLSA-N 1 0 398.349 2.548 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)Nc2cccc(F)c2I)CC[NH2+]1 ZINC000415364683 563771233 /nfs/dbraw/zinc/77/12/33/563771233.db2.gz SJSQDJNTQNAROC-BDAKNGLRSA-N 1 0 377.201 2.692 20 0 GFADRO O=C(NC[C@@H]1CCC[NH2+]1)C(=O)Nc1ccc(Br)c(Cl)c1Cl ZINC000415370159 563771314 /nfs/dbraw/zinc/77/13/14/563771314.db2.gz CYSXBOZLSOBBCL-ZETCQYMHSA-N 1 0 395.084 2.563 20 0 GFADRO CC(C)(C[NH3+])NC(=O)C(=O)Nc1ccc(Br)c(Cl)c1Cl ZINC000415381980 563771491 /nfs/dbraw/zinc/77/14/91/563771491.db2.gz ONJOAVJGDXWRKC-UHFFFAOYSA-N 1 0 383.073 2.548 20 0 GFADRO C[N@@H+]1CC[C@]2(CCN([C@@H]3CCN(c4cccc(Br)c4)C3=O)C2)C1 ZINC000292060706 563772070 /nfs/dbraw/zinc/77/20/70/563772070.db2.gz COAHSDQCGUUISB-AEFFLSMTSA-N 1 0 378.314 2.582 20 0 GFADRO Cc1cc(F)c(NC(=O)N[C@H]2CCC[NH2+]C2)c(I)c1 ZINC000415388637 563772086 /nfs/dbraw/zinc/77/20/86/563772086.db2.gz ICIJBNNHJSHJDN-VIFPVBQESA-N 1 0 377.201 2.612 20 0 GFADRO Cc1cc(F)c(NC(=O)N[C@@](C)(C[NH3+])C2CC2)c(I)c1 ZINC000415391381 563772143 /nfs/dbraw/zinc/77/21/43/563772143.db2.gz LNWIYCRZJAUXRZ-AWEZNQCLSA-N 1 0 391.228 2.988 20 0 GFADRO CC[NH2+][C@H](C)CNC(=O)Nc1c(F)cc(C)cc1I ZINC000415393987 563772378 /nfs/dbraw/zinc/77/23/78/563772378.db2.gz PTQLWTUWNYWXNB-SECBINFHSA-N 1 0 379.217 2.858 20 0 GFADRO COC(=O)c1cc(Br)cc(C(=O)N(C)[C@@H]2CC[N@H+](C)C[C@H]2C)c1 ZINC000292071086 563772504 /nfs/dbraw/zinc/77/25/04/563772504.db2.gz IJRDPOWRGRXFNB-IAQYHMDHSA-N 1 0 383.286 2.648 20 0 GFADRO CCCN(C(=O)C(=O)Nc1ccc(C(F)(F)F)cc1Cl)[C@@H]1CC[NH2+]C1 ZINC000415410061 563773837 /nfs/dbraw/zinc/77/38/37/563773837.db2.gz VCUYHTGVPKOQKL-LLVKDONJSA-N 1 0 377.794 2.898 20 0 GFADRO COCCOc1ccc(Br)cc1NC(=O)N[C@@](C)(C[NH3+])C1CC1 ZINC000415425933 563774946 /nfs/dbraw/zinc/77/49/46/563774946.db2.gz MDAABLMBIZNNIG-INIZCTEOSA-N 1 0 386.290 2.723 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000415427451 563775155 /nfs/dbraw/zinc/77/51/55/563775155.db2.gz BSZINPXMVGCBLU-VHSXEESVSA-N 1 0 377.794 2.883 20 0 GFADRO [NH3+]CC[C@@H]1CCCN(C(=O)c2cc(=O)[nH]c3c(Br)cccc23)C1 ZINC000442599022 563775361 /nfs/dbraw/zinc/77/53/61/563775361.db2.gz FFMGSYHPDLMBEL-NSHDSACASA-N 1 0 378.270 2.904 20 0 GFADRO COCCOc1ccc(Br)cc1NC(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000415433922 563775496 /nfs/dbraw/zinc/77/54/96/563775496.db2.gz XVMYJPNFCGYWQW-KGLIPLIRSA-N 1 0 398.301 2.833 20 0 GFADRO Cc1ccc(NC(=O)C(=O)N2CCC([NH2+]CC3CC3)CC2)cc1Br ZINC000415451677 563776215 /nfs/dbraw/zinc/77/62/15/563776215.db2.gz NHXQUWOQQZKDMO-UHFFFAOYSA-N 1 0 394.313 2.687 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)Nc2cc(Cl)cc(Br)c2)C1 ZINC000415447047 563776368 /nfs/dbraw/zinc/77/63/68/563776368.db2.gz PWLHNPYQIBPLNM-NXEZZACHSA-N 1 0 388.693 2.627 20 0 GFADRO O=C(Nc1cc(Br)ccc1F)C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000415465163 563776963 /nfs/dbraw/zinc/77/69/63/563776963.db2.gz OFKQDKNUFCLEPV-UHFFFAOYSA-N 1 0 398.276 2.517 20 0 GFADRO COC(=O)c1cc(Br)c(F)cc1NC(=O)N1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000415465801 563776980 /nfs/dbraw/zinc/77/69/80/563776980.db2.gz GCAAAMOJSLVIKM-BDAKNGLRSA-N 1 0 388.237 2.576 20 0 GFADRO CCOCCOc1ccc(Br)cc1NC(=O)N1CC[C@@H]([NH2+]C)C1 ZINC000415469489 563777614 /nfs/dbraw/zinc/77/76/14/563777614.db2.gz WWOKBHRXKDBPHZ-CYBMUJFWSA-N 1 0 386.290 2.690 20 0 GFADRO O=C(Cc1ccc(I)cc1)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000365210546 563777808 /nfs/dbraw/zinc/77/78/08/563777808.db2.gz NLYYJMABCUUGRI-LSDHHAIUSA-N 1 0 384.261 2.577 20 0 GFADRO C[C@H]1CCCN(C(=O)Nc2cc(Br)cnc2-n2cccn2)[C@@H]1C[NH3+] ZINC000415479904 563778289 /nfs/dbraw/zinc/77/82/89/563778289.db2.gz IIYZCYFNDIMQPJ-SMDDNHRTSA-N 1 0 393.289 2.621 20 0 GFADRO CN1CC[NH2+]C[C@H]1CNC(=O)Nc1ccc(Br)c(Cl)c1Cl ZINC000415473894 563778459 /nfs/dbraw/zinc/77/84/59/563778459.db2.gz INSKIASOLNEMLB-QMMMGPOBSA-N 1 0 396.116 2.781 20 0 GFADRO CC1(C)C[NH2+]CC[C@@H]1NC(=O)Nc1cc(Br)cnc1-n1cccn1 ZINC000415490149 563778957 /nfs/dbraw/zinc/77/89/57/563778957.db2.gz VMJUUYWVBUMYBK-ZDUSSCGKSA-N 1 0 393.289 2.539 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000415523185 563781231 /nfs/dbraw/zinc/78/12/31/563781231.db2.gz QYWNDJKCNQJWGW-HNNXBMFYSA-N 1 0 394.313 2.687 20 0 GFADRO O=C(NC[C@H]1CCC[NH2+]C1)Nc1ccnn1Cc1ccccc1Br ZINC000415519677 563781312 /nfs/dbraw/zinc/78/13/12/563781312.db2.gz GHVAFWSYDXLCQC-ZDUSSCGKSA-N 1 0 392.301 2.815 20 0 GFADRO C[NH2+]CCCNC(=O)Nc1nc2ccc(I)cc2s1 ZINC000415525817 563781862 /nfs/dbraw/zinc/78/18/62/563781862.db2.gz FSUDYYIJXRNPGG-UHFFFAOYSA-N 1 0 390.250 2.632 20 0 GFADRO C[C@@H]1CN(C(=O)Nc2ccnn2Cc2ccccc2Br)C[C@H]1[NH3+] ZINC000415524489 563781906 /nfs/dbraw/zinc/78/19/06/563781906.db2.gz SOSQSYHDFDQOPL-BXUZGUMPSA-N 1 0 378.274 2.505 20 0 GFADRO CS(=O)(=O)N1CC(C[NH2+][C@H]2CC[C@@H](c3ccc(C(F)(F)F)cc3)C2)C1 ZINC000442850526 563782453 /nfs/dbraw/zinc/78/24/53/563782453.db2.gz IIFSHALJZFKOJS-ZBFHGGJFSA-N 1 0 376.444 2.823 20 0 GFADRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)Nc1ccnn1Cc1cccc(Br)c1 ZINC000415527826 563782571 /nfs/dbraw/zinc/78/25/71/563782571.db2.gz OJSCFFGWEFDLKX-IUODEOHRSA-N 1 0 392.301 2.813 20 0 GFADRO CC1(C)[NH2+]CC[C@@H]1NC(=O)Nc1ccnn1Cc1cccc(Br)c1 ZINC000415526454 563782743 /nfs/dbraw/zinc/78/27/43/563782743.db2.gz ZRZRFKWJUJTBSI-AWEZNQCLSA-N 1 0 392.301 2.956 20 0 GFADRO [NH3+]C[C@H]1CCCN1C(=O)Nc1ccnn1Cc1cccc(Br)c1 ZINC000415529856 563783335 /nfs/dbraw/zinc/78/33/35/563783335.db2.gz VBAKJNTZZCBAAQ-CQSZACIVSA-N 1 0 378.274 2.649 20 0 GFADRO [NH3+]C1CCN(C(=O)Nc2ccnn2Cc2ccc(Br)cc2)CC1 ZINC000415535742 563783375 /nfs/dbraw/zinc/78/33/75/563783375.db2.gz XNKKCIMHQNSFKH-UHFFFAOYSA-N 1 0 378.274 2.649 20 0 GFADRO C[NH2+]CCN(C)C(=O)C(=O)Nc1ccc(Sc2nc(C)cs2)cc1C ZINC000415546930 563783760 /nfs/dbraw/zinc/78/37/60/563783760.db2.gz NZBZMPZUJBBYDO-UHFFFAOYSA-N 1 0 378.523 2.527 20 0 GFADRO CC(C)c1cc(Br)ccc1NC(=O)C(=O)N1C[C@@H](C[NH3+])C[C@@H]1C ZINC000415538755 563783915 /nfs/dbraw/zinc/78/39/15/563783915.db2.gz IUZDNKBIOSWAHM-NWDGAFQWSA-N 1 0 382.302 2.707 20 0 GFADRO C[C@H]1C[C@H](NC(=O)NCC2([NH+](C)C)CCCC2)c2ccsc2S1(=O)=O ZINC000292362394 563784214 /nfs/dbraw/zinc/78/42/14/563784214.db2.gz KBLUFBWBRPPBCY-JSGCOSHPSA-N 1 0 385.555 2.529 20 0 GFADRO Cc1cc(Br)cc(Cl)c1NC(=O)C(=O)N1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000415581189 563785100 /nfs/dbraw/zinc/78/51/00/563785100.db2.gz SGZSEUXLLJTFKF-ZJUUUORDSA-N 1 0 388.693 2.545 20 0 GFADRO COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000415588133 563785565 /nfs/dbraw/zinc/78/55/65/563785565.db2.gz XFXITWBAODPSPE-OPQQBVKSSA-N 1 0 386.279 2.526 20 0 GFADRO C[NH2+][C@@H]1CCCN(C(=O)Nc2ccc(OC)cc2I)C1 ZINC000415598944 563786437 /nfs/dbraw/zinc/78/64/37/563786437.db2.gz PYCWIKCINOXTAI-SNVBAGLBSA-N 1 0 389.237 2.516 20 0 GFADRO COc1ccc(NC(=O)N[C@H](C)CCCC[NH3+])c(I)c1 ZINC000415599000 563786729 /nfs/dbraw/zinc/78/67/29/563786729.db2.gz QGXQRNDPHLLEAH-SNVBAGLBSA-N 1 0 391.253 2.939 20 0 GFADRO COc1ccc(NC(=O)N2CC[C@@H]([NH3+])[C@@H](C)C2)c(I)c1 ZINC000415600579 563787064 /nfs/dbraw/zinc/78/70/64/563787064.db2.gz TVTMJFFURHECIN-JOYOIKCWSA-N 1 0 389.237 2.501 20 0 GFADRO COC(=O)c1cc(NC(=O)N[C@](C)(C[NH3+])C2CC2)cc(Br)c1F ZINC000415605697 563787461 /nfs/dbraw/zinc/78/74/61/563787461.db2.gz HZNMWEJSBZLRTJ-OAHLLOKOSA-N 1 0 388.237 2.624 20 0 GFADRO COC(=O)c1cccc(NC(=O)N[C@H](C[NH3+])C2CCCC2)c1Br ZINC000415604425 563787542 /nfs/dbraw/zinc/78/75/42/563787542.db2.gz FQYDMROVVQUCAK-CYBMUJFWSA-N 1 0 384.274 2.875 20 0 GFADRO CSC[C@@H]1CCC[N@H+](CC(=O)Nc2cc(Cl)ccc2-n2cncn2)C1 ZINC000292498698 563789048 /nfs/dbraw/zinc/78/90/48/563789048.db2.gz UIMYEHIPEMYSSY-CYBMUJFWSA-N 1 0 379.917 2.934 20 0 GFADRO CC1(C)C[NH2+]CC[C@H]1NC(=O)Nc1nnc(-c2ccc(Cl)cc2F)s1 ZINC000415635921 563789433 /nfs/dbraw/zinc/78/94/33/563789433.db2.gz WBVKOSUPMNPQDA-GFCCVEGCSA-N 1 0 383.880 3.507 20 0 GFADRO C[C@H]1C[C@@H](NC(=O)C(=O)Nc2ccc(-c3ccc(Cl)s3)nc2)CC[NH2+]1 ZINC000415666538 563790726 /nfs/dbraw/zinc/79/07/26/563790726.db2.gz FBOPOLUBLCYYLN-QWRGUYRKSA-N 1 0 378.885 2.659 20 0 GFADRO [NH3+]CC[C@H]1CCCN(C(=O)C(=O)Nc2cc(Cl)ccc2Br)C1 ZINC000415684938 563791153 /nfs/dbraw/zinc/79/11/53/563791153.db2.gz YJKMIHJSIQXHCK-SNVBAGLBSA-N 1 0 388.693 2.628 20 0 GFADRO [NH3+]CC[C@@H]1CCCN(C(=O)C(=O)Nc2cccc(Cl)c2Br)C1 ZINC000415678856 563791380 /nfs/dbraw/zinc/79/13/80/563791380.db2.gz PDXDOZJAKQAIMS-JTQLQIEISA-N 1 0 388.693 2.628 20 0 GFADRO C[NH+]1CCC(C(=O)N2CCC[C@@H]2C(=O)Nc2ccc(Br)cc2)CC1 ZINC000365719896 563791681 /nfs/dbraw/zinc/79/16/81/563791681.db2.gz SFDONZIWLLRYCZ-MRXNPFEDSA-N 1 0 394.313 2.720 20 0 GFADRO CC(C)c1cc(Br)ccc1NC(=O)C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000415695965 563791833 /nfs/dbraw/zinc/79/18/33/563791833.db2.gz SZWHVQBTQQQKGZ-QGZVFWFLSA-N 1 0 382.302 2.708 20 0 GFADRO C[NH2+]C[C@H]1CCCN1C(=O)Nc1cc(C(=O)OC)c(Br)cc1C ZINC000415701923 563791880 /nfs/dbraw/zinc/79/18/80/563791880.db2.gz CMFLLDUKACJJJU-LLVKDONJSA-N 1 0 384.274 2.760 20 0 GFADRO Cc1cc(I)cc(NC(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000415706113 563791937 /nfs/dbraw/zinc/79/19/37/563791937.db2.gz IIEJRKQHXCDSEL-NWDGAFQWSA-N 1 0 385.249 2.673 20 0 GFADRO COC(=O)c1cc(NC(=O)N[C@@](C)(C[NH3+])C2CC2)c(C)cc1Br ZINC000415701270 563792174 /nfs/dbraw/zinc/79/21/74/563792174.db2.gz BBTJOKPXXPAXMT-INIZCTEOSA-N 1 0 384.274 2.793 20 0 GFADRO COC(=O)c1cc(NC(=O)N[C@@H]2CC[NH2+]C2(C)C)c(C)cc1Br ZINC000415708543 563792540 /nfs/dbraw/zinc/79/25/40/563792540.db2.gz OBCXHVLIYPGQJQ-CYBMUJFWSA-N 1 0 384.274 2.806 20 0 GFADRO C[NH2+]C[C@H]1CCN(C(=O)Nc2cc(C(=O)OC)c(Br)cc2C)C1 ZINC000415713040 563792597 /nfs/dbraw/zinc/79/25/97/563792597.db2.gz WCCCMUYIPJORDN-LLVKDONJSA-N 1 0 384.274 2.617 20 0 GFADRO COC(=O)c1cc(NC(=O)N2CC[C@@H]([NH3+])[C@H](C)C2)c(C)cc1Br ZINC000415709768 563792711 /nfs/dbraw/zinc/79/27/11/563792711.db2.gz QDVFYSUFPPCVMH-ZWNOBZJWSA-N 1 0 384.274 2.745 20 0 GFADRO OC[C@H](C[NH2+]Cc1cnn(CC(F)F)c1)Cc1ccccc1Br ZINC000292657488 563793006 /nfs/dbraw/zinc/79/30/06/563793006.db2.gz LKIBEVMZFFDSDH-LBPRGKRZSA-N 1 0 388.256 2.852 20 0 GFADRO COC[C@@]1(CNC(=O)Nc2ccc(Cl)cc2OCC(F)F)CCC[NH2+]1 ZINC000415730495 563793224 /nfs/dbraw/zinc/79/32/24/563793224.db2.gz UBEYWWGDHVXMJQ-INIZCTEOSA-N 1 0 377.819 2.874 20 0 GFADRO Cc1cc(Cl)cc(NC(=O)C(=O)N[C@H](C)CCCC[NH3+])c1Br ZINC000415748498 563793922 /nfs/dbraw/zinc/79/39/22/563793922.db2.gz YTXDWFYYXKVKJM-SNVBAGLBSA-N 1 0 390.709 2.983 20 0 GFADRO C[C@@H](CCCC[NH3+])NC(=O)C(=O)Nc1ccc(Br)c(Cl)c1 ZINC000415736604 563794015 /nfs/dbraw/zinc/79/40/15/563794015.db2.gz AVOLVTDTKYWZJP-VIFPVBQESA-N 1 0 376.682 2.675 20 0 GFADRO C[C@H]1CN(C(=O)Nc2cc(Cl)ccc2I)CC[NH2+]1 ZINC000415756102 563794245 /nfs/dbraw/zinc/79/42/45/563794245.db2.gz KXKFOBAADQEEIZ-QMMMGPOBSA-N 1 0 379.629 2.770 20 0 GFADRO Cc1nnc(CN[C@@H](CO)c2ccc(Br)cc2C(F)(F)F)[nH]1 ZINC000292745286 563794353 /nfs/dbraw/zinc/79/43/53/563794353.db2.gz HDZXEPNPHOPCQL-NSHDSACASA-N 1 0 379.180 2.718 20 0 GFADRO CC(C)Sc1c(Cl)cccc1NC(=O)C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000415773061 563795696 /nfs/dbraw/zinc/79/56/96/563795696.db2.gz VDHAVLWMIZGUOR-JSGCOSHPSA-N 1 0 381.929 2.989 20 0 GFADRO COc1cc(I)ccc1NC(=O)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000415773421 563795750 /nfs/dbraw/zinc/79/57/50/563795750.db2.gz MTZFZVCATXIZBA-MWLCHTKSSA-N 1 0 389.237 2.501 20 0 GFADRO C[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccc(Cl)s2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000365948816 563796060 /nfs/dbraw/zinc/79/60/60/563796060.db2.gz HQPFHTGVAQRUMN-JJXSEGSLSA-N 1 0 381.973 2.989 20 0 GFADRO O=C(NCCC[C@@H]1CCC[NH2+]1)C(=O)Nc1ccc(C(F)(F)F)cc1Cl ZINC000415808782 563797600 /nfs/dbraw/zinc/79/76/00/563797600.db2.gz UATSQDUTKRQAKC-NSHDSACASA-N 1 0 377.794 2.946 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H](CNC(=O)C(=O)Nc2cc(Cl)cc(C(F)(F)F)c2)C1 ZINC000415806686 563797717 /nfs/dbraw/zinc/79/77/17/563797717.db2.gz KHZTWWOEDXGBOX-BXKDBHETSA-N 1 0 377.794 2.931 20 0 GFADRO [NH3+][C@H]1CCC[C@@H](CNC(=O)C(=O)Nc2cc(Cl)cc(C(F)(F)F)c2)C1 ZINC000415806689 563797765 /nfs/dbraw/zinc/79/77/65/563797765.db2.gz KHZTWWOEDXGBOX-SKDRFNHKSA-N 1 0 377.794 2.931 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)c(Br)c1 ZINC000415818631 563798349 /nfs/dbraw/zinc/79/83/49/563798349.db2.gz WRHQITCOQPMVNX-CHWSQXEVSA-N 1 0 382.302 2.638 20 0 GFADRO Cc1ccc(-c2csc(NC(=O)C(=O)N3CC[C@H](C)[C@@H](C[NH3+])C3)n2)s1 ZINC000415833972 563798939 /nfs/dbraw/zinc/79/89/39/563798939.db2.gz AIDUUDTWSWBKEW-JQWIXIFHSA-N 1 0 378.523 2.562 20 0 GFADRO Cc1ccc(Cl)c(S(=O)(=O)NC[C@H](O)C[NH+]2CCC(C)CC2)c1Cl ZINC000443291332 563799198 /nfs/dbraw/zinc/79/91/98/563799198.db2.gz FHSKGKKGVKMQFN-ZDUSSCGKSA-N 1 0 395.352 2.673 20 0 GFADRO Cc1cc(Br)cc(Cl)c1NC(=O)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000415875685 563800479 /nfs/dbraw/zinc/80/04/79/563800479.db2.gz ZFUJHYCPRDKRGP-NSHDSACASA-N 1 0 388.693 2.608 20 0 GFADRO [NH3+]Cc1ccc(NC(=O)NC[C@@H](CO)Cc2ccc(Br)cc2)cc1 ZINC000415945816 563800889 /nfs/dbraw/zinc/80/08/89/563800889.db2.gz FACWPAAFYBCFAU-HNNXBMFYSA-N 1 0 392.297 2.881 20 0 GFADRO CC(C)n1cc(Br)cc1C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000366201897 563800940 /nfs/dbraw/zinc/80/09/40/563800940.db2.gz MZNVMRDPGUQSKP-OAHLLOKOSA-N 1 0 384.318 2.815 20 0 GFADRO [NH3+]CC[C@H](NC(=O)N1CCc2c(Br)cccc2C1)C(F)(F)F ZINC000415998820 563801688 /nfs/dbraw/zinc/80/16/88/563801688.db2.gz VBNWIRPKMYEUIW-LBPRGKRZSA-N 1 0 380.208 2.797 20 0 GFADRO [NH3+]CC[C@@H](NC(=O)N(CCO)Cc1ccc(Cl)c(Cl)c1)C(F)(F)F ZINC000416002389 563801767 /nfs/dbraw/zinc/80/17/67/563801767.db2.gz DSOKSJYVXBYKIB-GFCCVEGCSA-N 1 0 388.217 2.777 20 0 GFADRO C[C@H](Cc1ccccc1Br)NC(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000416019530 563802710 /nfs/dbraw/zinc/80/27/10/563802710.db2.gz ZZZMKCUPKUQKSU-BXKDBHETSA-N 1 0 382.224 2.959 20 0 GFADRO [NH3+]CC[C@@H](NC(=O)N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1)C(F)(F)F ZINC000416036364 563803108 /nfs/dbraw/zinc/80/31/08/563803108.db2.gz YEYCIRFRPQMHCY-TVQRCGJNSA-N 1 0 382.789 2.637 20 0 GFADRO CC[C@](C)(COc1ncccc1Cl)NC(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000416029340 563803135 /nfs/dbraw/zinc/80/31/35/563803135.db2.gz LEMBNMIEGMMWSK-SMDDNHRTSA-N 1 0 382.814 2.861 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2cccc(Br)c2)C[C@@H]1C ZINC000443368389 563803148 /nfs/dbraw/zinc/80/31/48/563803148.db2.gz FQAUBOLNNWWFGO-SWLSCSKDSA-N 1 0 382.302 2.719 20 0 GFADRO CN(C(=O)c1ccc(I)cn1)C(C)(C)C[NH+]1CCCC1 ZINC000416107042 563805147 /nfs/dbraw/zinc/80/51/47/563805147.db2.gz OFBVGPBNSJQTME-UHFFFAOYSA-N 1 0 387.265 2.633 20 0 GFADRO COCCN(CC[NH+](C)C)C(=O)Cc1cc(Cl)c(Br)cc1F ZINC000416151377 563807133 /nfs/dbraw/zinc/80/71/33/563807133.db2.gz PVCHHTXMWMGOKJ-UHFFFAOYSA-N 1 0 395.700 2.821 20 0 GFADRO CS(=O)(=O)CC[C@@H]1CCCC[N@@H+]1C[C@H](O)COCc1ccccc1Cl ZINC000366423758 563807819 /nfs/dbraw/zinc/80/78/19/563807819.db2.gz VLNPHFBXKMHFON-IRXDYDNUSA-N 1 0 389.945 2.507 20 0 GFADRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1nn(C)cc1Br ZINC000293311448 563808215 /nfs/dbraw/zinc/80/82/15/563808215.db2.gz ITBNUKCXQKYZGV-CZUORRHYSA-N 1 0 391.313 2.823 20 0 GFADRO O=C(c1cnnn1-c1c(Cl)cccc1Cl)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000366445930 563808274 /nfs/dbraw/zinc/80/82/74/563808274.db2.gz JBBATSKPNHQYJF-LBPRGKRZSA-N 1 0 380.279 2.884 20 0 GFADRO COc1cc(Br)ccc1C(=O)N1CC[C@@H](OCC[NH+]2CCCC2)C1 ZINC000443876649 563813816 /nfs/dbraw/zinc/81/38/16/563813816.db2.gz KMMYEWUDVIROIB-OAHLLOKOSA-N 1 0 397.313 2.785 20 0 GFADRO Cn1nc(C(F)(F)F)c(C[NH2+][C@H]2CC[C@@H](C(=O)N3CCCC3)C2)c1Cl ZINC000366748185 563818375 /nfs/dbraw/zinc/81/83/75/563818375.db2.gz RJZXAHJXQNPESE-MNOVXSKESA-N 1 0 378.826 2.973 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1cnc2ccc(Br)cc2c1O ZINC000444029338 563818810 /nfs/dbraw/zinc/81/88/10/563818810.db2.gz BXPWBGYPFXXGQH-OLZOCXBDSA-N 1 0 390.281 2.647 20 0 GFADRO CCN(C)C(=O)C[NH2+]C1(Cc2ccc(F)cc2Br)CCOCC1 ZINC000293569111 563818890 /nfs/dbraw/zinc/81/88/90/563818890.db2.gz MUQDHMBODLAOIR-UHFFFAOYSA-N 1 0 387.293 2.748 20 0 GFADRO O=C(C[NH2+]C1(Cc2ccc(F)cc2Br)CCOCC1)NC1CC1 ZINC000293572643 563818925 /nfs/dbraw/zinc/81/89/25/563818925.db2.gz NBHYRCBHDLNCEX-UHFFFAOYSA-N 1 0 385.277 2.548 20 0 GFADRO COC(=O)c1c(Cl)cccc1S(=O)(=O)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000416373401 563818957 /nfs/dbraw/zinc/81/89/57/563818957.db2.gz QXCZITOODDUVEZ-CYBMUJFWSA-N 1 0 388.917 2.527 20 0 GFADRO O=C(NCCSCCOc1cccc(Br)c1)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000444121664 563821933 /nfs/dbraw/zinc/82/19/33/563821933.db2.gz LXHIBRJNSAOJLE-RDJZCZTQSA-N 1 0 399.354 2.677 20 0 GFADRO CC(C)(CCC[NH3+])NC(=O)CCC[S@@](=O)c1ccc(Br)cc1 ZINC000293743586 563823414 /nfs/dbraw/zinc/82/34/14/563823414.db2.gz VFLPUOSGSQKIRW-JOCHJYFZSA-N 1 0 389.359 2.971 20 0 GFADRO COc1ccc(Br)cc1CC(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000293824618 563824730 /nfs/dbraw/zinc/82/47/30/563824730.db2.gz BLINZWRIAFZOLK-GOSISDBHSA-N 1 0 381.314 2.945 20 0 GFADRO O=C(c1ccncc1I)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000367168285 563833571 /nfs/dbraw/zinc/83/35/71/563833571.db2.gz PEPHTMBRMCVTFS-CYBMUJFWSA-N 1 0 399.276 2.777 20 0 GFADRO Cc1cc(Br)ccc1C[N@H+](C)CCn1nc2ccccn2c1=O ZINC000444713002 563835637 /nfs/dbraw/zinc/83/56/37/563835637.db2.gz DOPKGXZMGSXJTI-UHFFFAOYSA-N 1 0 375.270 2.699 20 0 GFADRO CCN1CC[C@@H]([NH2+]CC(=O)Nc2nncs2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000367252817 563837511 /nfs/dbraw/zinc/83/75/11/563837511.db2.gz ONKBIFJLKLTXEY-HIFRSBDPSA-N 1 0 383.880 2.694 20 0 GFADRO CCO[C@@H]1C[C@@](CO)([NH2+]Cc2nc3ccc(Br)cc3n2C)C1(C)C ZINC000444802443 563837684 /nfs/dbraw/zinc/83/76/84/563837684.db2.gz NXGJOYMFVOOKBJ-QAPCUYQASA-N 1 0 396.329 2.992 20 0 GFADRO C[N@H+](CCCCNS(=O)(=O)c1c(F)cccc1OC(F)(F)F)C1CC1 ZINC000416505700 563840063 /nfs/dbraw/zinc/84/00/63/563840063.db2.gz FDBDXVFCXHLPDS-UHFFFAOYSA-N 1 0 384.395 2.877 20 0 GFADRO C[NH+](C)CC(C)(C)NS(=O)(=O)c1cc(Br)cc2cccnc21 ZINC000416507953 563840814 /nfs/dbraw/zinc/84/08/14/563840814.db2.gz MQWNHLYVANOZMZ-UHFFFAOYSA-N 1 0 386.315 2.616 20 0 GFADRO O=C(c1ccc(F)cc1I)N1CCC2(C1)CC[NH2+]CC2 ZINC000367359212 563841707 /nfs/dbraw/zinc/84/17/07/563841707.db2.gz UURNIUMURCUAID-UHFFFAOYSA-N 1 0 388.224 2.646 20 0 GFADRO Cc1[nH+]c2c(n1[C@@H]1CCN(C(=O)c3nn(C)cc3Br)C1)CCCC2 ZINC000294507441 563844635 /nfs/dbraw/zinc/84/46/35/563844635.db2.gz KPFMOAFMGVWMCB-GFCCVEGCSA-N 1 0 392.301 2.654 20 0 GFADRO CS(=O)(=O)N1CCC[C@@H]1C[NH2+][C@H]1CCc2sc(Br)cc21 ZINC000294590729 563847893 /nfs/dbraw/zinc/84/78/93/563847893.db2.gz CTQRKXXHUUUBGE-KOLCDFICSA-N 1 0 379.345 2.512 20 0 GFADRO C[NH+]1CCC([C@H]2CCN(Cc3ncc(I)s3)C2)CC1 ZINC000367690038 563852263 /nfs/dbraw/zinc/85/22/63/563852263.db2.gz SZGXEXFWGNDIMK-LBPRGKRZSA-N 1 0 391.322 2.911 20 0 GFADRO CS[C@@H]1CN(S(=O)(=O)c2c(F)cccc2Cl)C[C@H]1[NH+]1CCCC1 ZINC000445736405 563852965 /nfs/dbraw/zinc/85/29/65/563852965.db2.gz ROLQQQPSHUWUMU-ZIAGYGMSSA-N 1 0 378.922 2.679 20 0 GFADRO COc1ccc(S(=O)(=O)N2C[C@@H](SC)[C@H]([NH+]3CCCC3)C2)cc1Cl ZINC000445742804 563853675 /nfs/dbraw/zinc/85/36/75/563853675.db2.gz KXSPZGGKCIHSBK-GDBMZVCRSA-N 1 0 390.958 2.549 20 0 GFADRO C[C@H](CNC(=O)NCC1([NH+](C)C)CCC1)Oc1ccc(Br)cc1 ZINC000445849009 563854882 /nfs/dbraw/zinc/85/48/82/563854882.db2.gz JFBAVECATSQKMJ-CYBMUJFWSA-N 1 0 384.318 3.000 20 0 GFADRO C[C@H](CNC(=O)NCC1([NH+](C)C)CCC1)Oc1ccccc1Br ZINC000445866142 563855214 /nfs/dbraw/zinc/85/52/14/563855214.db2.gz KNUQBSHEPBPJQF-CYBMUJFWSA-N 1 0 384.318 3.000 20 0 GFADRO O=S(=O)(c1c(Cl)cc(F)cc1Br)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000367802744 563856179 /nfs/dbraw/zinc/85/61/79/563856179.db2.gz VEGZXWVBOGADDV-QPUJVOFHSA-N 1 0 397.697 2.614 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000367796946 563856305 /nfs/dbraw/zinc/85/63/05/563856305.db2.gz IJYMVGODKILFQB-DYVFJYSZSA-N 1 0 389.297 2.767 20 0 GFADRO C[C@H]1CCC[C@@](CNC(=O)Cc2cc[nH]c(=O)c2Br)([NH+](C)C)C1 ZINC000446110480 563858883 /nfs/dbraw/zinc/85/88/83/563858883.db2.gz YFUMTGYTOJPSRW-YVEFUNNKSA-N 1 0 384.318 2.719 20 0 GFADRO O=C1NC[C@H]2CN(Cc3ccc(OC(F)(F)F)c(Br)c3)CC[C@H]12 ZINC000367926497 563859640 /nfs/dbraw/zinc/85/96/40/563859640.db2.gz ODTFHZLPWXKXIY-QWRGUYRKSA-N 1 0 393.203 2.916 20 0 GFADRO O[C@H](COCC(F)(F)F)C[N@@H+]1CCC[C@@H](c2nc(C(F)(F)F)c[nH]2)C1 ZINC000367926361 563859818 /nfs/dbraw/zinc/85/98/18/563859818.db2.gz FQDBKUDZKOIUIP-ZJUUUORDSA-N 1 0 375.313 2.548 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)C(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000446197703 563860882 /nfs/dbraw/zinc/86/08/82/563860882.db2.gz VUFZQNGWLALFFU-UHFFFAOYSA-N 1 0 396.329 2.893 20 0 GFADRO COc1c(Cl)cc(NC(=O)N2C[C@@H](C)[N@H+](CCO)C[C@H]2C)cc1Cl ZINC000416780909 563861211 /nfs/dbraw/zinc/86/12/11/563861211.db2.gz DCLPWDQGDQYTBY-GHMZBOCLSA-N 1 0 376.284 2.921 20 0 GFADRO O=S(=O)(C[C@H](O)C[NH2+]C1CC(c2cc(F)cc(F)c2)C1)c1cccs1 ZINC000368018320 563862091 /nfs/dbraw/zinc/86/20/91/563862091.db2.gz PADPHUYWOXEZQV-VDSRIPIWSA-N 1 0 387.473 2.697 20 0 GFADRO COc1cc(CNC(=O)[C@@H]2C[C@H]2C2CC[NH2+]CC2)cc(Br)c1OC ZINC000368058954 563862553 /nfs/dbraw/zinc/86/25/53/563862553.db2.gz FWGFNVTVYMUNAJ-UONOGXRCSA-N 1 0 397.313 2.718 20 0 GFADRO CC[C@@H]([NH2+][C@H]1CCc2nc[nH]c2C1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000368102565 563863914 /nfs/dbraw/zinc/86/39/14/563863914.db2.gz OUBOBVOVOQOWGP-GXTWGEPZSA-N 1 0 382.917 2.569 20 0 GFADRO C[NH+]1CCC(N(Cc2ccccc2Br)C(=O)Cn2ccnc2)CC1 ZINC000368182206 563865534 /nfs/dbraw/zinc/86/55/34/563865534.db2.gz XMWMGMXYYFMVSR-UHFFFAOYSA-N 1 0 391.313 2.769 20 0 GFADRO Cc1cc(NC(=O)N2C[C@@H](C)[N@@H+](CCO)C[C@@H]2C)cc(C)c1Br ZINC000417054925 563866455 /nfs/dbraw/zinc/86/64/55/563866455.db2.gz HMLPUHLLJBWETB-KGLIPLIRSA-N 1 0 384.318 2.985 20 0 GFADRO COC(=O)[C@H]1CN(C(=O)Nc2cc(C)c(Br)c(C)c2)CC[N@H+](C)C1 ZINC000417067352 563867041 /nfs/dbraw/zinc/86/70/41/563867041.db2.gz SCKQYCGGYOOZCH-CYBMUJFWSA-N 1 0 398.301 2.634 20 0 GFADRO O=S(=O)(N[C@H]1CC12CC[NH2+]CC2)c1c(Cl)cc(F)cc1Br ZINC000368313688 563868519 /nfs/dbraw/zinc/86/85/19/563868519.db2.gz DJSOWHJCOYDTNJ-NSHDSACASA-N 1 0 397.697 2.662 20 0 GFADRO CCOc1c(Br)cc(C(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)cc1OC ZINC000368372086 563869495 /nfs/dbraw/zinc/86/94/95/563869495.db2.gz ZTAMEBDDELJQBC-SMDDNHRTSA-N 1 0 383.286 2.680 20 0 GFADRO COC[C@@H]([NH2+]Cc1cn2cc(Br)cc(C)c2n1)C1CCOCC1 ZINC000446889199 563869827 /nfs/dbraw/zinc/86/98/27/563869827.db2.gz TZTZGOXJIFOGBV-MRXNPFEDSA-N 1 0 382.302 2.936 20 0 GFADRO C[NH2+]C[C@H]1CCCN1C(=O)N[C@@H](C)c1cc2c(cc1Br)OCCO2 ZINC000417173145 563869931 /nfs/dbraw/zinc/86/99/31/563869931.db2.gz GWNRXZVILJAQNK-NWDGAFQWSA-N 1 0 398.301 2.675 20 0 GFADRO O=C(c1cc(=O)[nH]c2ccc(Br)cc21)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000368389871 563870123 /nfs/dbraw/zinc/87/01/23/563870123.db2.gz ZIVQKJXCRRYCEA-HZMBPMFUSA-N 1 0 376.254 2.527 20 0 GFADRO O=C1[C@H](N2CC[NH+]([C@H]3CCSC3)CC2)CCN1c1ccc(F)c(Cl)c1 ZINC000368469478 563871667 /nfs/dbraw/zinc/87/16/67/563871667.db2.gz ZXIFZMRIFJQJNO-WMLDXEAASA-N 1 0 383.920 2.708 20 0 GFADRO C[C@@H](NC(=O)N1CC[C@](C)(C[NH3+])C1)c1cc2c(cc1Br)OCCO2 ZINC000417186577 563871786 /nfs/dbraw/zinc/87/17/86/563871786.db2.gz VILLMEDPJXQRTD-PIGZYNQJSA-N 1 0 398.301 2.662 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)NCCC(=O)Nc1ccc(Br)cc1 ZINC000417209775 563873009 /nfs/dbraw/zinc/87/30/09/563873009.db2.gz CXISQXCNBGZSIL-IUODEOHRSA-N 1 0 397.317 2.689 20 0 GFADRO COc1cc(Cl)c(S(=O)(=O)N2CCC3(C2)CC[NH2+]CC3)cc1Cl ZINC000368540321 563873469 /nfs/dbraw/zinc/87/34/69/563873469.db2.gz SNLOOESACMICQH-UHFFFAOYSA-N 1 0 379.309 2.766 20 0 GFADRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)NCCC(=O)Nc1ccc(Br)cc1 ZINC000417211880 563873750 /nfs/dbraw/zinc/87/37/50/563873750.db2.gz GPDPOQMHBPFNFN-HNNXBMFYSA-N 1 0 399.333 2.793 20 0 GFADRO COC(=O)[C@@](C)(C[NH2+][C@H](C)Cn1cc(Br)cn1)c1ccc(F)cc1 ZINC000447096630 563874848 /nfs/dbraw/zinc/87/48/48/563874848.db2.gz IUANXJQUCSTUEB-PXAZEXFGSA-N 1 0 398.276 2.894 20 0 GFADRO Cc1c(I)cccc1C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000368613312 563875198 /nfs/dbraw/zinc/87/51/98/563875198.db2.gz MVCKWMRXZWNSSM-NJZAAPMLSA-N 1 0 384.261 2.799 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)NC[C@@H]2CCN(c3cccc(Br)c3)C2)C1 ZINC000417257646 563875328 /nfs/dbraw/zinc/87/53/28/563875328.db2.gz CVGVFOOXTORAJM-SOUVJXGZSA-N 1 0 395.345 2.654 20 0 GFADRO Cc1cc(N2CC[C@@H](N(C)Cc3cnccn3)C2=O)ccc1Br ZINC000368630191 563876034 /nfs/dbraw/zinc/87/60/34/563876034.db2.gz DODIOMLYTNOQEU-MRXNPFEDSA-N 1 0 375.270 2.785 20 0 GFADRO COCC1(CNC(=O)NCc2nc3cc(Cl)ccc3s2)CC[NH2+]CC1 ZINC000417286429 563876668 /nfs/dbraw/zinc/87/66/68/563876668.db2.gz MXBVUYFNDMZOLF-UHFFFAOYSA-N 1 0 382.917 2.765 20 0 GFADRO O=C(N[C@@H]1CCC[NH2+]CC1)c1ccc(I)cc1Cl ZINC000368718587 563877558 /nfs/dbraw/zinc/87/75/58/563877558.db2.gz IWKGMDLFTPTPNC-SNVBAGLBSA-N 1 0 378.641 2.817 20 0 GFADRO C[C@@H]1CN(S(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C[C@@H]1[NH3+] ZINC000447241819 563877731 /nfs/dbraw/zinc/87/77/31/563877731.db2.gz CPABSSMOFFAALX-HQJQHLMTSA-N 1 0 376.322 2.692 20 0 GFADRO CO[C@H]1CCN(C(=O)NCCCOc2ccc(Cl)cc2Cl)[C@H](C[NH3+])C1 ZINC000417334858 563878009 /nfs/dbraw/zinc/87/80/09/563878009.db2.gz RVQQLVYKKBRMJA-KBPBESRZSA-N 1 0 390.311 2.910 20 0 GFADRO C[C@@H]([NH2+][C@@H](c1ccn(C)n1)c1ccc(Cl)cc1)C1CCS(=O)(=O)CC1 ZINC000368741667 563878128 /nfs/dbraw/zinc/87/81/28/563878128.db2.gz UXKVHHBSLCRBTR-FZKQIMNGSA-N 1 0 381.929 2.966 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)N(C)CC(C)(C)C[NH3+] ZINC000417371613 563878751 /nfs/dbraw/zinc/87/87/51/563878751.db2.gz WTYURMRUEXZAKQ-UHFFFAOYSA-N 1 0 399.333 2.712 20 0 GFADRO COc1cc(CNC(=O)N[C@H](C[NH3+])CC(C)C)cc(Br)c1OC ZINC000417377456 563879108 /nfs/dbraw/zinc/87/91/08/563879108.db2.gz PLQUIXGSPRHUMQ-LBPRGKRZSA-N 1 0 388.306 2.639 20 0 GFADRO CC(C)C[N@@H+]1CCCN(C(=O)c2ccc(Cl)c(NS(C)(=O)=O)c2)CC1 ZINC000368824889 563879346 /nfs/dbraw/zinc/87/93/46/563879346.db2.gz UDUSNGOQKACASF-UHFFFAOYSA-N 1 0 387.933 2.515 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)N[C@@H](C[NH3+])CC(C)C ZINC000417475167 563880692 /nfs/dbraw/zinc/88/06/92/563880692.db2.gz AZQRLLHKQJAMIR-CQSZACIVSA-N 1 0 399.333 2.759 20 0 GFADRO COc1cc(Br)cc(C)c1NC(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000368886095 563881109 /nfs/dbraw/zinc/88/11/09/563881109.db2.gz UYEDFSCTZZHYBD-UONOGXRCSA-N 1 0 398.301 2.751 20 0 GFADRO Cc1ncsc1CN(C[C@H]1CC[NH2+]C1)C(=O)c1cncc(Br)c1 ZINC000447433452 563881777 /nfs/dbraw/zinc/88/17/77/563881777.db2.gz AYSDZMFFXCLLBH-LBPRGKRZSA-N 1 0 395.326 2.861 20 0 GFADRO O=C(c1cc(F)ccc1I)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000368925392 563882303 /nfs/dbraw/zinc/88/23/03/563882303.db2.gz IDBZPUXHRZTPDX-GFCCVEGCSA-N 1 0 388.224 2.741 20 0 GFADRO COCCN(CC[NH+](C)C)C(=O)Nc1cc(Br)c(F)cc1OC ZINC000417556652 563882866 /nfs/dbraw/zinc/88/28/66/563882866.db2.gz PGCPMOWJUSAKLL-UHFFFAOYSA-N 1 0 392.269 2.639 20 0 GFADRO COc1ccc(Br)cc1C(=O)CCC(=O)N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000447518485 563883149 /nfs/dbraw/zinc/88/31/49/563883149.db2.gz WHRNJDKGHQMBID-WCQYABFASA-N 1 0 383.286 2.677 20 0 GFADRO CN1CC[NH+](C[C@@H]2CCCN(C(=O)CSc3ccc(Cl)cc3)C2)CC1 ZINC000368979571 563883579 /nfs/dbraw/zinc/88/35/79/563883579.db2.gz PPNOEQWBULTYSS-INIZCTEOSA-N 1 0 381.973 2.918 20 0 GFADRO COCC1(CNC(=O)NCc2ccc(Br)cc2C)CC[NH2+]CC1 ZINC000417577445 563883851 /nfs/dbraw/zinc/88/38/51/563883851.db2.gz JOHCLFRVZSQKGU-UHFFFAOYSA-N 1 0 384.318 2.573 20 0 GFADRO CC(C)C[C@@H](C[NH3+])NC(=O)N[C@H]1CCN(c2ccccc2Br)C1 ZINC000417600425 563885492 /nfs/dbraw/zinc/88/54/92/563885492.db2.gz JIPLUZRKLISTHW-KBPBESRZSA-N 1 0 383.334 2.700 20 0 GFADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)NC1(c2ccc(Br)cc2)CC1 ZINC000369051151 563885794 /nfs/dbraw/zinc/88/57/94/563885794.db2.gz RCOQQEJLJJGZRH-CVEARBPZSA-N 1 0 394.313 2.601 20 0 GFADRO O=C1c2ccccc2C(=O)N1CC[NH2+]CCc1ccc(Br)s1 ZINC000447813633 563887237 /nfs/dbraw/zinc/88/72/37/563887237.db2.gz SUTNAFYGBNCTPI-UHFFFAOYSA-N 1 0 379.279 2.939 20 0 GFADRO CCn1cncc1C[N@@H+]1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000417721692 563887307 /nfs/dbraw/zinc/88/73/07/563887307.db2.gz FWIGTFUAIPANNM-ZDUSSCGKSA-N 1 0 392.301 2.911 20 0 GFADRO C[C@H](CNC(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1)Oc1ccc(Br)cc1 ZINC000417769411 563888701 /nfs/dbraw/zinc/88/87/01/563888701.db2.gz DOOIXMRFDHZOQV-OQUILHJVSA-N 1 0 396.329 2.985 20 0 GFADRO [NH3+]CCCOC1CCN(C(=O)N[C@H]2COc3c2ccc(Cl)c3Cl)CC1 ZINC000417767701 563888713 /nfs/dbraw/zinc/88/87/13/563888713.db2.gz DEQFCCODQRMRIY-AWEZNQCLSA-N 1 0 388.295 2.966 20 0 GFADRO C[C@@H](CNC(=O)N[C@@H]1C[NH2+]CCC1(F)F)Oc1cccc(Br)c1 ZINC000417786949 563889349 /nfs/dbraw/zinc/88/93/49/563889349.db2.gz FGJIYCLFOYJMFH-GXFFZTMASA-N 1 0 392.244 2.513 20 0 GFADRO C[C@@H]([NH3+])[C@H](C)NC(=O)N[C@@H](C)c1nc(-c2ccc(Br)cc2)no1 ZINC000417879007 563890268 /nfs/dbraw/zinc/89/02/68/563890268.db2.gz AYKCMKLOQKOUSU-UTLUCORTSA-N 1 0 382.262 2.595 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)CCC[NH2+][C@H](CO)[C@@H]1CCCO1 ZINC000447917881 563890562 /nfs/dbraw/zinc/89/05/62/563890562.db2.gz YSLHYQXTCYJNBR-CVEARBPZSA-N 1 0 399.329 2.914 20 0 GFADRO O=C(C[NH2+][C@H](CO)[C@H]1CCCO1)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000447901543 563890717 /nfs/dbraw/zinc/89/07/17/563890717.db2.gz CGXQPAKNJAPQAN-BRWVUGGUSA-N 1 0 387.307 2.786 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)NCc2cc(Cl)cc(Cl)c2OC(F)F)CCCO1 ZINC000417893399 563891071 /nfs/dbraw/zinc/89/10/71/563891071.db2.gz YDFFBURGGDKHKH-LLVKDONJSA-N 1 0 398.237 2.854 20 0 GFADRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNS(=O)(=O)Cc1ccc(Br)cc1 ZINC000447934821 563891308 /nfs/dbraw/zinc/89/13/08/563891308.db2.gz BHGYGZQRJPSEPE-HNNXBMFYSA-N 1 0 389.359 2.989 20 0 GFADRO Cc1nn(C)c(C[NH2+]C[C@@H](c2ccccc2)N2CCOCC2)c1Br ZINC000447933751 563891360 /nfs/dbraw/zinc/89/13/60/563891360.db2.gz YCPQEOFAKKIZOJ-INIZCTEOSA-N 1 0 393.329 2.654 20 0 GFADRO NC(=O)[C@H]1CCC[C@@H]([NH2+]Cc2ccc(F)cc2I)C1 ZINC000417938099 563892116 /nfs/dbraw/zinc/89/21/16/563892116.db2.gz IDZPIBKCMSVJGS-JOYOIKCWSA-N 1 0 376.213 2.564 20 0 GFADRO C[NH2+][C@H]1CCN(C(=O)NCc2ccc(Br)cc2C(F)(F)F)C1 ZINC000417949282 563892199 /nfs/dbraw/zinc/89/21/99/563892199.db2.gz IVNKDALWBNEZFX-NSHDSACASA-N 1 0 380.208 2.971 20 0 GFADRO [NH3+][C@H]1C[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1ccc(Br)c(Cl)c1 ZINC000369321903 563892648 /nfs/dbraw/zinc/89/26/48/563892648.db2.gz NVLIVFROIFYKHC-ILWJIGKKSA-N 1 0 379.707 2.745 20 0 GFADRO CC(C)[C@H]([NH3+])CNC(=O)NCCCOc1ncc(C(F)(F)F)cc1Cl ZINC000417962985 563892839 /nfs/dbraw/zinc/89/28/39/563892839.db2.gz OQFYNLGQZTYMHE-GFCCVEGCSA-N 1 0 382.814 2.805 20 0 GFADRO NC(=O)C1CCN(C[C@@H]([NH2+]C[C@H]2CCSC2)c2ccc(Cl)cc2)CC1 ZINC000448021024 563892977 /nfs/dbraw/zinc/89/29/77/563892977.db2.gz GHKPYOFXJNFUTK-RDTXWAMCSA-N 1 0 381.973 2.921 20 0 GFADRO C[C@@H](CC[NH3+])NC(=O)NCCOc1ccc(Br)cc1C(F)(F)F ZINC000417960470 563893003 /nfs/dbraw/zinc/89/30/03/563893003.db2.gz XRQNBDFTQJFNHH-VIFPVBQESA-N 1 0 398.223 2.883 20 0 GFADRO CCO[C@@H]1COCC[C@@H]1[NH2+]Cc1ccc(F)cc1I ZINC000417992675 563894099 /nfs/dbraw/zinc/89/40/99/563894099.db2.gz OYHQVNZTDUTCBY-UONOGXRCSA-N 1 0 379.213 2.714 20 0 GFADRO C[C@@H]1CN(C(=O)NCCc2c[nH]c3ccc(Br)cc23)[C@H](C)C[NH2+]1 ZINC000417995221 563894211 /nfs/dbraw/zinc/89/42/11/563894211.db2.gz CUZGJOJOBCOUID-VXGBXAGGSA-N 1 0 379.302 2.865 20 0 GFADRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)Nc2nnc(CC(F)(F)F)s2)C1 ZINC000448155913 563894511 /nfs/dbraw/zinc/89/45/11/563894511.db2.gz MWAKQIRUENNLHI-LLVKDONJSA-N 1 0 379.452 3.132 20 0 GFADRO C[C@@H]1CN(C(=O)NCCc2c[nH]c3ccc(Br)cc23)CC[C@H]1[NH3+] ZINC000418000680 563894715 /nfs/dbraw/zinc/89/47/15/563894715.db2.gz JSFMWDMSCHKPDA-IAQYHMDHSA-N 1 0 379.302 2.852 20 0 GFADRO Cc1nn(C)c(CN2CCC(CCC[NH+]3CCOCC3)CC2)c1Br ZINC000448336482 563896307 /nfs/dbraw/zinc/89/63/07/563896307.db2.gz DTBBNZOPYXMLPP-UHFFFAOYSA-N 1 0 399.377 2.815 20 0 GFADRO CCCOC[C@H](Cc1cccc(Br)c1)NC(=O)NC1CC[NH2+]CC1 ZINC000418038433 563896532 /nfs/dbraw/zinc/89/65/32/563896532.db2.gz YOUWSUPWAJIDIL-KRWDZBQOSA-N 1 0 398.345 2.838 20 0 GFADRO CCCOC[C@@H](Cc1cccc(Br)c1)NC(=O)NC[C@H](C)C[NH3+] ZINC000418032318 563896567 /nfs/dbraw/zinc/89/65/67/563896567.db2.gz PRGPSYRJFYHZQA-CZUORRHYSA-N 1 0 386.334 2.681 20 0 GFADRO CCn1c(CNC(=O)N[C@@H]2CC[NH2+]C[C@H]2C)nc2cc(Br)ccc21 ZINC000418067851 563897358 /nfs/dbraw/zinc/89/73/58/563897358.db2.gz PLBBGWUTBPASGC-DGCLKSJQSA-N 1 0 394.317 2.616 20 0 GFADRO O=C(NC1CC[NH2+]CC1)N[C@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O ZINC000418077450 563897778 /nfs/dbraw/zinc/89/77/78/563897778.db2.gz HUGZSAKUDXIURR-AWEZNQCLSA-N 1 0 385.295 2.540 20 0 GFADRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)N[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000418088737 563898028 /nfs/dbraw/zinc/89/80/28/563898028.db2.gz AISORQMSXOETKQ-QRTARXTBSA-N 1 0 395.345 2.845 20 0 GFADRO O=C(NCCC[NH+]1CCCCC1)c1cccnc1-n1cc(Br)cn1 ZINC000448599530 563898800 /nfs/dbraw/zinc/89/88/00/563898800.db2.gz ZKNLLCWINQNJTQ-UHFFFAOYSA-N 1 0 392.301 2.636 20 0 GFADRO CCS(=O)(=O)c1ccc(CNC(=O)N(CCC[NH3+])CC2CCCC2)s1 ZINC000418110145 563899056 /nfs/dbraw/zinc/89/90/56/563899056.db2.gz VVLADOMGZPNAJR-UHFFFAOYSA-N 1 0 387.571 2.592 20 0 GFADRO CCC([NH3+])(CC)CNC(=O)N[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000418099798 563899131 /nfs/dbraw/zinc/89/91/31/563899131.db2.gz NLKATSKUBPYNOC-AWEZNQCLSA-N 1 0 383.334 2.845 20 0 GFADRO O=C(N[C@@H]1C[C@H]1c1ccc(Br)cc1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000418125067 563899515 /nfs/dbraw/zinc/89/95/15/563899515.db2.gz ISARXWGYHHNWNX-HDEZJCGLSA-N 1 0 378.314 2.946 20 0 GFADRO Cc1cc(CNC(=O)NC2CCC([NH3+])CC2)ccc1I ZINC000418141100 563899876 /nfs/dbraw/zinc/89/98/76/563899876.db2.gz KNQHWDJJRDCFMH-UHFFFAOYSA-N 1 0 387.265 2.669 20 0 GFADRO Cc1cc(CNC(=O)N[C@@H](C)CCC[NH3+])ccc1I ZINC000418145956 563900011 /nfs/dbraw/zinc/90/00/11/563900011.db2.gz ZUYSVRKJJCELOA-NSHDSACASA-N 1 0 375.254 2.526 20 0 GFADRO [NH3+]CC[C@@H](NC(=O)N[C@H](c1cncc(Br)c1)C1CC1)C(F)F ZINC000418167978 563900522 /nfs/dbraw/zinc/90/05/22/563900522.db2.gz LPBXPCYDWHDAMC-NEPJUHHUSA-N 1 0 377.233 2.577 20 0 GFADRO C[C@@H]([NH3+])C1CCN(C(=O)NCc2cc(F)c(F)cc2Br)CC1 ZINC000418178291 563900720 /nfs/dbraw/zinc/90/07/20/563900720.db2.gz INYWCJBMCGPPMI-SECBINFHSA-N 1 0 376.245 2.996 20 0 GFADRO C[NH+](C)[C@@H]1CCCN(C(=O)c2ccc(I)cc2F)C1 ZINC000448881228 563902785 /nfs/dbraw/zinc/90/27/85/563902785.db2.gz LGSPCFXXPDSPQD-LLVKDONJSA-N 1 0 376.213 2.597 20 0 GFADRO Cc1ccc(Br)cc1CC(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000448967208 563904142 /nfs/dbraw/zinc/90/41/42/563904142.db2.gz HTBIBBZGWSCZND-MRXNPFEDSA-N 1 0 395.341 2.871 20 0 GFADRO COCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](Cc2cccc(F)c2Br)C1 ZINC000449016037 563904967 /nfs/dbraw/zinc/90/49/67/563904967.db2.gz MDPZJJBIZFGCMZ-TZMCWYRMSA-N 1 0 387.293 2.951 20 0 GFADRO COCCNC(=O)[C@H]1CC[C@H](C)[N@H+](Cc2cccc(F)c2Br)C1 ZINC000449016034 563905287 /nfs/dbraw/zinc/90/52/87/563905287.db2.gz MDPZJJBIZFGCMZ-JSGCOSHPSA-N 1 0 387.293 2.951 20 0 GFADRO COc1ccc(CC[NH2+][C@@H]2CCc3ccc(Cl)cc32)cc1S(N)(=O)=O ZINC000537962604 564178362 /nfs/dbraw/zinc/17/83/62/564178362.db2.gz DYPTWDDPANVPRB-MRXNPFEDSA-N 1 0 380.897 2.816 20 0 GFADRO CCOCCOC[C@@H](O)C[NH2+][C@H]1CCc2c1ccc(F)c2Br ZINC000449288284 564179655 /nfs/dbraw/zinc/17/96/55/564179655.db2.gz ZCXIVIJUDSAVRN-NHYWBVRUSA-N 1 0 376.266 2.579 20 0 GFADRO C[C@@H](C[N@@H+]1CCC[C@@H](CNS(C)(=O)=O)C1)c1cccc(Br)c1 ZINC000505302785 564179783 /nfs/dbraw/zinc/17/97/83/564179783.db2.gz ZICNUARMYAFCIC-KBPBESRZSA-N 1 0 389.359 2.814 20 0 GFADRO CS(=O)(=O)N[C@@H]1CCCC[C@@H]1C[NH2+]Cc1cc(F)cc(Br)c1 ZINC000449317781 564180490 /nfs/dbraw/zinc/18/04/90/564180490.db2.gz CAVZSPPFNVPJAJ-IUODEOHRSA-N 1 0 393.322 2.786 20 0 GFADRO CC(C)Cc1ncnc(N2CCC(CC[NH3+])CC2)c1I ZINC000563228500 564181190 /nfs/dbraw/zinc/18/11/90/564181190.db2.gz BRBFQMDGYIPTGZ-UHFFFAOYSA-N 1 0 388.297 2.845 20 0 GFADRO OCCCN1CCC[C@@H]1C[NH2+]CC1=Cc2cc(Br)ccc2OC1 ZINC000449384261 564183205 /nfs/dbraw/zinc/18/32/05/564183205.db2.gz APNAYLQEAQIYCM-QGZVFWFLSA-N 1 0 381.314 2.661 20 0 GFADRO O=c1ccc(Br)cn1CC[NH2+][C@H]1CCCN(Cc2ccccc2)C1 ZINC000449381727 564183434 /nfs/dbraw/zinc/18/34/34/564183434.db2.gz ZJPQWNOEAKVOIG-SFHVURJKSA-N 1 0 390.325 2.865 20 0 GFADRO COCCOC1(C[NH2+]Cc2cc(F)cc(Br)c2)CCOCC1 ZINC000449390873 564184030 /nfs/dbraw/zinc/18/40/30/564184030.db2.gz CIALJRVQRWHRDM-UHFFFAOYSA-N 1 0 376.266 2.890 20 0 GFADRO OCCC[N@@H+]1CCC[C@@H]1CNCc1cn(-c2ccc(Cl)cc2Cl)nn1 ZINC000449390288 564184174 /nfs/dbraw/zinc/18/41/74/564184174.db2.gz VSTWSJCQBCVHFL-OAHLLOKOSA-N 1 0 384.311 2.511 20 0 GFADRO OCCN1CCCC[C@H]1C[NH2+]Cc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000449394627 564184378 /nfs/dbraw/zinc/18/43/78/564184378.db2.gz OETGWNNMZCDWIG-INIZCTEOSA-N 1 0 393.329 2.776 20 0 GFADRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)Cc3ccccc3I)C2)C1 ZINC000505516880 564184659 /nfs/dbraw/zinc/18/46/59/564184659.db2.gz ULPJFCMCBBVLQI-QGZVFWFLSA-N 1 0 398.288 2.778 20 0 GFADRO O=C1CNC(=O)N1CCC[N@H+]1CCCC[C@@H]1Cc1ccccc1Br ZINC000563289406 564184814 /nfs/dbraw/zinc/18/48/14/564184814.db2.gz MYMMKYNNEBPJLS-OAHLLOKOSA-N 1 0 394.313 2.788 20 0 GFADRO OCCN1CCCC[C@@H]1C[NH2+]Cc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000449394629 564185026 /nfs/dbraw/zinc/18/50/26/564185026.db2.gz OETGWNNMZCDWIG-MRXNPFEDSA-N 1 0 393.329 2.776 20 0 GFADRO Ic1cnn(CCC[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000505559382 564185612 /nfs/dbraw/zinc/18/56/12/564185612.db2.gz KCKFXOZFMIEFAC-UHFFFAOYSA-N 1 0 396.276 2.700 20 0 GFADRO COC(=O)c1ccc(C[N@@H+]2C[C@H](O)C[C@@H]2[C@@H]2CCCOC2)c(Br)c1 ZINC000449432399 564185619 /nfs/dbraw/zinc/18/56/19/564185619.db2.gz HIEWBEOTWBDLEK-BFYDXBDKSA-N 1 0 398.297 2.598 20 0 GFADRO CC[C@H]1[C@@H](CO)CC[N@@H+]1Cc1ccc(Br)cc1N1CCOCC1 ZINC000449431003 564185874 /nfs/dbraw/zinc/18/58/74/564185874.db2.gz WYYLIOAABDKLKD-WBVHZDCISA-N 1 0 383.330 2.879 20 0 GFADRO COc1cc(C[NH2+][C@H]2CCOC2(C)C)cc(I)c1OC ZINC000449413836 564186066 /nfs/dbraw/zinc/18/60/66/564186066.db2.gz IPLJUHXXQMOQIL-ZDUSSCGKSA-N 1 0 391.249 2.966 20 0 GFADRO COc1cccc(S(=O)(=O)CC[NH2+][C@H](C)c2ccc([S@@](C)=O)cc2)c1 ZINC000538262792 564186565 /nfs/dbraw/zinc/18/65/65/564186565.db2.gz ILFUBLSCTSTCRL-JBEBIEQOSA-N 1 0 381.519 2.557 20 0 GFADRO C[NH+](C)CCN(C(=O)c1cc(=O)[nH]c2c(Br)cccc12)C1CC1 ZINC000505667805 564187584 /nfs/dbraw/zinc/18/75/84/564187584.db2.gz BGIFCVGVWIBFCS-UHFFFAOYSA-N 1 0 378.270 2.869 20 0 GFADRO C[N@@H+]1CCC[C@]2(CCN(C(=O)Cc3cccc(I)c3)C2)C1 ZINC000505655978 564187766 /nfs/dbraw/zinc/18/77/66/564187766.db2.gz FMTSCFPLJOTITO-KRWDZBQOSA-N 1 0 398.288 2.778 20 0 GFADRO CO[C@@H]1COCC[C@@H]1C[NH2+]Cc1c(Br)cncc1Br ZINC000449462635 564188233 /nfs/dbraw/zinc/18/82/33/564188233.db2.gz URODLYFECVKNQL-NOZJJQNGSA-N 1 0 394.107 2.748 20 0 GFADRO C[N@@H+]1CC[C@H](C(=O)NCc2ccc(I)c(Cl)c2)C1 ZINC000563400187 564189178 /nfs/dbraw/zinc/18/91/78/564189178.db2.gz LEADVUUSBKGTGJ-JTQLQIEISA-N 1 0 378.641 2.513 20 0 GFADRO O=C1NC(=O)[C@@H]2C[N@H+](Cc3ccc(-c4ccc(Br)cc4)s3)C[C@H]12 ZINC000449518975 564190161 /nfs/dbraw/zinc/19/01/61/564190161.db2.gz BOEWPFVLUXFTQE-OKILXGFUSA-N 1 0 391.290 2.882 20 0 GFADRO C[C@@H]1CN(Cc2ccc(Br)c3cccnc23)C[C@H](C)[N@H+]1CCO ZINC000449540737 564190258 /nfs/dbraw/zinc/19/02/58/564190258.db2.gz YCHVJCCQFMFNQR-OKILXGFUSA-N 1 0 378.314 2.884 20 0 GFADRO CC[C@@H]([NH2+]CCN1CCN(C(C)=O)CC1)c1cc(F)cc(Br)c1 ZINC000538398487 564190256 /nfs/dbraw/zinc/19/02/56/564190256.db2.gz OIARRMFLEGEFCS-QGZVFWFLSA-N 1 0 386.309 2.793 20 0 GFADRO NC(=O)c1cccc(C[NH2+]C[C@@H](CO)Cc2cc(Br)ccc2F)c1 ZINC000449602594 564192449 /nfs/dbraw/zinc/19/24/49/564192449.db2.gz UHTWXEJDDXEHOW-ZDUSSCGKSA-N 1 0 395.272 2.628 20 0 GFADRO COc1cc(OC)c(OC)cc1CNc1cc(N(C)C)c(Br)c[nH+]1 ZINC000449641895 564193174 /nfs/dbraw/zinc/19/31/74/564193174.db2.gz FFHMZKVPIJOULY-UHFFFAOYSA-N 1 0 396.285 3.548 20 0 GFADRO CC[NH+](CC)[C@H](C)CNC(=O)c1cc(F)ccc1I ZINC000471364618 564193706 /nfs/dbraw/zinc/19/37/06/564193706.db2.gz BBUZKLZLNDXGAX-SNVBAGLBSA-N 1 0 378.229 2.890 20 0 GFADRO C[C@@H](CCNC(=O)Cn1cc(Br)cn1)[N@H+](C)Cc1ccccc1 ZINC000471439015 564194642 /nfs/dbraw/zinc/19/46/42/564194642.db2.gz CRDZQCKEDFSZPU-AWEZNQCLSA-N 1 0 379.302 2.672 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)NC1CCN(c2nccs2)CC1)c1ccsc1 ZINC000538570572 564194622 /nfs/dbraw/zinc/19/46/22/564194622.db2.gz YEKYIXOZLJJJCA-OAHLLOKOSA-N 1 0 379.555 2.776 20 0 GFADRO COc1ccc(Br)cc1C[C@H](CO)C[NH2+]Cc1c(C)n[nH]c1C ZINC000449678914 564195588 /nfs/dbraw/zinc/19/55/88/564195588.db2.gz GMSUSALZJXDFAB-ZDUSSCGKSA-N 1 0 382.302 2.738 20 0 GFADRO COc1c(C[NH2+]C[C@@H](CO)Cc2cccc(Br)c2C)c(C)nn1C ZINC000449680157 564195758 /nfs/dbraw/zinc/19/57/58/564195758.db2.gz GDVRUKPLOVKBAN-AWEZNQCLSA-N 1 0 396.329 2.749 20 0 GFADRO Cc1ccc(OCCC(=O)N[C@@H](CC[NH3+])C(F)(F)F)c(Br)c1 ZINC000449713729 564197813 /nfs/dbraw/zinc/19/78/13/564197813.db2.gz AIPZPWZGQJFLEF-LBPRGKRZSA-N 1 0 383.208 2.922 20 0 GFADRO CC1(C)C[NH2+]CC[C@H]1NC(=O)c1cc(=O)[nH]c2ccc(Br)cc21 ZINC000449700556 564197971 /nfs/dbraw/zinc/19/79/71/564197971.db2.gz UITCJLHFKGIUTR-CQSZACIVSA-N 1 0 378.270 2.821 20 0 GFADRO O=C(NCc1cc(Br)cc2c1OCC2)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000563584835 564198243 /nfs/dbraw/zinc/19/82/43/564198243.db2.gz PAVNIUKNYVNEAI-DVOMOZLQSA-N 1 0 394.313 2.571 20 0 GFADRO C[NH2+]C[C@H]1CCCN(C(=O)N[C@H](c2cncc(Br)c2)C2CC2)C1 ZINC000563590561 564198276 /nfs/dbraw/zinc/19/82/76/564198276.db2.gz BMLRBHHTMYYQAT-WBMJQRKESA-N 1 0 381.318 2.936 20 0 GFADRO [NH3+]C[C@@H]1CC[C@H](NC(=O)[C@H]2CCCN2C(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000449724663 564198823 /nfs/dbraw/zinc/19/88/23/564198823.db2.gz YRDOYNOJSYRNKW-PVXIVEMSSA-N 1 0 384.307 2.842 20 0 GFADRO CN(Cc1ccccc1Br)C(=O)CC[NH2+]C[C@@](C)(O)C(F)(F)F ZINC000563618217 564198974 /nfs/dbraw/zinc/19/89/74/564198974.db2.gz PAWFPKPKFOABHV-CQSZACIVSA-N 1 0 397.235 2.701 20 0 GFADRO O=C(CCCCc1ccc(I)cc1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000449741351 564199867 /nfs/dbraw/zinc/19/98/67/564199867.db2.gz JYSKKJVYWHBCOV-ZBFHGGJFSA-N 1 0 398.288 2.824 20 0 GFADRO O=C(c1cc(=O)[nH]c2ccc(Br)cc21)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000449729694 564199932 /nfs/dbraw/zinc/19/99/32/564199932.db2.gz BLWFFUJNLOIXKM-ZUZCIYMTSA-N 1 0 376.254 2.527 20 0 GFADRO CN(CC[N@H+](C)C1CC1)S(=O)(=O)c1cc(Cl)c(Br)cc1F ZINC000471632208 564200265 /nfs/dbraw/zinc/20/02/65/564200265.db2.gz FCUDNZOQOQOZRT-UHFFFAOYSA-N 1 0 399.713 2.956 20 0 GFADRO C[NH+](C)CCOCCNC(=O)N1CCC[C@@H]1c1ccc(Br)s1 ZINC000471663275 564201314 /nfs/dbraw/zinc/20/13/14/564201314.db2.gz HRTXUNBWMONKSD-GFCCVEGCSA-N 1 0 390.347 2.935 20 0 GFADRO Fc1ccc(F)c(CNc2cc(N3CCOCC3)c(Br)c[nH+]2)c1 ZINC000449767016 564201938 /nfs/dbraw/zinc/20/19/38/564201938.db2.gz PLTNEZYWPIBIBZ-UHFFFAOYSA-N 1 0 384.224 3.571 20 0 GFADRO O=C(CCc1nc(-c2cc(Br)cs2)no1)NCCC[NH2+]C1CC1 ZINC000563719712 564204242 /nfs/dbraw/zinc/20/42/42/564204242.db2.gz WOXDKDBPQASICD-UHFFFAOYSA-N 1 0 399.314 2.752 20 0 GFADRO O=C(NCC[NH+]1CCCCC1)c1cc(Br)cnc1OCC1CC1 ZINC000506509915 564204220 /nfs/dbraw/zinc/20/42/20/564204220.db2.gz KBSKGROFXVDAOP-UHFFFAOYSA-N 1 0 382.302 2.849 20 0 GFADRO O=S1(=O)CCC[C@H](C[NH2+]Cc2ccc(OC(F)F)c(Br)c2)C1 ZINC000563771148 564205503 /nfs/dbraw/zinc/20/55/03/564205503.db2.gz STZQBIRQIHBKQV-LLVKDONJSA-N 1 0 398.269 2.965 20 0 GFADRO O=C([C@H]1CCC[N@@H+](Cc2cc(F)ccc2Br)C1)N1CCOCC1 ZINC000506616522 564206274 /nfs/dbraw/zinc/20/62/74/564206274.db2.gz LUFNZLZUIBUDOG-ZDUSSCGKSA-N 1 0 385.277 2.659 20 0 GFADRO C[NH+](C)C1(CNC(=O)c2cc3c(ccc(F)c3Br)[nH]2)CCOCC1 ZINC000449860995 564206961 /nfs/dbraw/zinc/20/69/61/564206961.db2.gz MSWOUMTWIGYSNZ-UHFFFAOYSA-N 1 0 398.276 2.910 20 0 GFADRO CCSc1ccc([C@H](C)[NH2+]CCS(=O)(=O)NC[C@@H]2CCCCO2)cc1 ZINC000539077831 564208407 /nfs/dbraw/zinc/20/84/07/564208407.db2.gz CDCYCJLVQDOYLE-RDJZCZTQSA-N 1 0 386.583 2.938 20 0 GFADRO CC(C)CSCC[NH2+][C@@H](C)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000539051508 564208584 /nfs/dbraw/zinc/20/85/84/564208584.db2.gz LHUWYFJOCMPRST-INIZCTEOSA-N 1 0 386.583 2.747 20 0 GFADRO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)Nc1ccc(Br)c2ccccc12 ZINC000539178127 564212166 /nfs/dbraw/zinc/21/21/66/564212166.db2.gz NVAQDAFCLPUICV-LBPRGKRZSA-N 1 0 392.297 2.997 20 0 GFADRO CC[C@@H]1CN(C(=O)Cc2ccc(C)cc2Br)CC[N@@H+]1C[C@@H](C)O ZINC000450027085 564213423 /nfs/dbraw/zinc/21/34/23/564213423.db2.gz NUCLPWOXSNFZBC-GDBMZVCRSA-N 1 0 383.330 2.604 20 0 GFADRO O=C(NC[C@@H]1C[NH2+]CCCO1)N[C@@H](c1ccc(Br)cc1)C1CCC1 ZINC000563944894 564213958 /nfs/dbraw/zinc/21/39/58/564213958.db2.gz DLMNMVQPNBUXMF-DLBZAZTESA-N 1 0 396.329 2.968 20 0 GFADRO OCC[C@H]([NH2+]C[C@H](O)COc1cccc(Br)c1)c1ccccc1 ZINC000539229706 564214141 /nfs/dbraw/zinc/21/41/41/564214141.db2.gz LZFZVEFXLGHYNO-WMZOPIPTSA-N 1 0 380.282 2.902 20 0 GFADRO CC(C)OCC[C@H](O)C[N@H+](CCO)Cc1cc(Br)ccc1F ZINC000472163568 564214657 /nfs/dbraw/zinc/21/46/57/564214657.db2.gz QGHKRWIYGXTXSV-HNNXBMFYSA-N 1 0 378.282 2.559 20 0 GFADRO C[C@H]1C[C@H](NC(=O)c2c(F)cccc2I)CC[N@@H+]1C ZINC000472245506 564217431 /nfs/dbraw/zinc/21/74/31/564217431.db2.gz CCIIABKUMJEEHO-VHSXEESVSA-N 1 0 376.213 2.643 20 0 GFADRO Cc1cc(Br)cc2c1CN(CC(=O)N(C)Cc1cnn(C)c1)CC2 ZINC000539379904 564217698 /nfs/dbraw/zinc/21/76/98/564217698.db2.gz IQNPIIZNCVIWIJ-UHFFFAOYSA-N 1 0 391.313 2.508 20 0 GFADRO COc1ccc(C(=O)CCC(=O)N2C[C@@H](SC)[C@H]([NH+](C)C)C2)c(Cl)c1 ZINC000507082148 564217910 /nfs/dbraw/zinc/21/79/10/564217910.db2.gz CXBLIEGALYAPOA-NVXWUHKLSA-N 1 0 384.929 2.816 20 0 GFADRO CC(C)[NH+]1CCC(O)(CNC(=O)[C@@H]2C[C@H]2c2ccc(Br)cc2)CC1 ZINC000450120142 564218255 /nfs/dbraw/zinc/21/82/55/564218255.db2.gz FKRSWWJVEFPJAO-DLBZAZTESA-N 1 0 395.341 2.904 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]1C1CCN(C(=O)NCCc2ccc(Br)cc2)CC1 ZINC000564065206 564218753 /nfs/dbraw/zinc/21/87/53/564218753.db2.gz SYETWWXEHUDYCX-SJORKVTESA-N 1 0 396.329 2.529 20 0 GFADRO Cc1cc(C[N@@H+]2CCCC[C@@H]2CNS(C)(=O)=O)cc(C)c1OC(F)F ZINC000507162914 564219654 /nfs/dbraw/zinc/21/96/54/564219654.db2.gz XBNXHXSOPWKZHB-OAHLLOKOSA-N 1 0 376.469 2.809 20 0 GFADRO C[N@H+]1CC=C(CNC(=O)c2cc(F)c(F)cc2I)CC1 ZINC000539453403 564219853 /nfs/dbraw/zinc/21/98/53/564219853.db2.gz QUOQKZXZXIBABP-UHFFFAOYSA-N 1 0 392.187 2.561 20 0 GFADRO CC[N@@H+]1C[C@H](C)N(C(=O)NCCCCn2cc(Br)cn2)C[C@H]1C ZINC000472306161 564220116 /nfs/dbraw/zinc/22/01/16/564220116.db2.gz PMSCPEHYGQWVHW-KGLIPLIRSA-N 1 0 386.338 2.550 20 0 GFADRO Cc1cc(Br)cn2c(C[NH2+]C[C@@H](CO)c3cccnc3)cnc12 ZINC000564117128 564221341 /nfs/dbraw/zinc/22/13/41/564221341.db2.gz ZGZDZPYDAKHVKF-AWEZNQCLSA-N 1 0 375.270 2.666 20 0 GFADRO CC(C)[NH+]1CCC(O)(CNC(=O)CCc2cccc(Br)c2)CC1 ZINC000472429504 564222934 /nfs/dbraw/zinc/22/29/34/564222934.db2.gz VVEMIQPUYPYYLI-UHFFFAOYSA-N 1 0 383.330 2.733 20 0 GFADRO C[C@H]([NH2+]C[C@@H]1CCCCN1S(=O)(=O)N(C)C)c1ccc(Cl)c(F)c1 ZINC000564153498 564223153 /nfs/dbraw/zinc/22/31/53/564223153.db2.gz UZKPAHNGFYAMRK-JSGCOSHPSA-N 1 0 377.913 2.791 20 0 GFADRO Cc1ccc(Br)cc1C[NH+]1CCC(C(=O)N2CCOCC2)CC1 ZINC000450245201 564223497 /nfs/dbraw/zinc/22/34/97/564223497.db2.gz XHOUFFAEBWGGPB-UHFFFAOYSA-N 1 0 381.314 2.828 20 0 GFADRO CC[NH+](CC)[C@H](C)CNC(=O)NC[C@@H](O)COc1cccc(Cl)c1Cl ZINC000472448012 564223631 /nfs/dbraw/zinc/22/36/31/564223631.db2.gz BLZVQPFQTOZFTM-CHWSQXEVSA-N 1 0 392.327 2.763 20 0 GFADRO CN(C1CCCCC1)S(=O)(=O)N1CC[NH+](C[C@@H]2CCC(F)(F)C2)CC1 ZINC000450257519 564223790 /nfs/dbraw/zinc/22/37/90/564223790.db2.gz LZISALZWLCCAGG-OAHLLOKOSA-N 1 0 379.517 2.549 20 0 GFADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1Nc1cc(Br)cnc1C(N)=O ZINC000472491077 564224714 /nfs/dbraw/zinc/22/47/14/564224714.db2.gz AFAQZFOOQYXZJA-WBMJQRKESA-N 1 0 389.297 2.875 20 0 GFADRO O=S(=O)(CC[NH2+]CCOC1CCCC1)c1cccc(Br)c1 ZINC000564202198 564224833 /nfs/dbraw/zinc/22/48/33/564224833.db2.gz CDUULBYXJJHBAQ-UHFFFAOYSA-N 1 0 376.316 2.772 20 0 GFADRO CC[C@@H]1CN(c2ncnc3cc(Br)ccc32)CC[N@@H+]1C[C@@H](C)O ZINC000450311209 564226938 /nfs/dbraw/zinc/22/69/38/564226938.db2.gz GUQSXDIPRFBGMF-TZMCWYRMSA-N 1 0 379.302 2.674 20 0 GFADRO C[NH+]1CCN(c2ccc(Br)cc2NC(=O)COC(C)(C)C)CC1 ZINC000539790936 564227689 /nfs/dbraw/zinc/22/76/89/564227689.db2.gz VVTDAZWWLWJBOU-UHFFFAOYSA-N 1 0 384.318 2.955 20 0 GFADRO Cc1cc(NC(=O)C(=O)N[C@H](c2nccn2C)C2CC2)ccc1Br ZINC000507394387 564228046 /nfs/dbraw/zinc/22/80/46/564228046.db2.gz PMXTXIFYRDARPN-AWEZNQCLSA-N 1 0 391.269 2.697 20 0 GFADRO Cc1cc(Br)ccc1S(=O)(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000472600272 564229218 /nfs/dbraw/zinc/22/92/18/564229218.db2.gz VKDAZERTGWDKOA-CYBMUJFWSA-N 1 0 375.332 2.720 20 0 GFADRO CC[NH+](CC)CC[C@@H](CO)NC(=O)[C@@H](C)Oc1cccc(Cl)c1Cl ZINC000539920924 564232420 /nfs/dbraw/zinc/23/24/20/564232420.db2.gz QJHBARRWWOJUSP-OLZOCXBDSA-N 1 0 377.312 2.970 20 0 GFADRO O=C(NCC[N@H+]1CC=CCC1)c1cc(-c2ccc(Br)cc2)n[nH]1 ZINC000539921107 564232546 /nfs/dbraw/zinc/23/25/46/564232546.db2.gz WFDYVTZNWNZPLU-UHFFFAOYSA-N 1 0 375.270 2.831 20 0 GFADRO C[C@@H](OC[C@@H](O)C[NH2+]CC1(S(C)(=O)=O)CCCC1)c1ccc(Cl)cc1 ZINC000564445777 564234772 /nfs/dbraw/zinc/23/47/72/564234772.db2.gz IOMUXQSWQIIZPZ-PBHICJAKSA-N 1 0 389.945 2.726 20 0 GFADRO CN(CC1([NH+](C)C)CCC1)C(=O)C(C)(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000507619155 564235203 /nfs/dbraw/zinc/23/52/03/564235203.db2.gz KAVXWWRPRDUYRO-UHFFFAOYSA-N 1 0 386.945 2.835 20 0 GFADRO O=C(Nc1cccc(Br)c1)C1CC[NH+](C[C@@H]2COCCO2)CC1 ZINC000450548129 564238398 /nfs/dbraw/zinc/23/83/98/564238398.db2.gz QIFRKNJCIUDGMA-MRXNPFEDSA-N 1 0 383.286 2.515 20 0 GFADRO CCOC(=O)c1nn(C)cc1C[NH2+]C[C@@H](C)Oc1ccc(Br)cc1 ZINC000473122154 564239801 /nfs/dbraw/zinc/23/98/01/564239801.db2.gz VNKRBWOCAVWVIF-GFCCVEGCSA-N 1 0 396.285 2.916 20 0 GFADRO CSc1nc(C(C)(C)C)nc(C)c1C(=O)N1C[C@@H](SC)[C@@H]([NH+](C)C)C1 ZINC000540124722 564239967 /nfs/dbraw/zinc/23/99/67/564239967.db2.gz NWSFHARBXHYHCU-QWHCGFSZSA-N 1 0 382.599 2.922 20 0 GFADRO C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000540164657 564240551 /nfs/dbraw/zinc/24/05/51/564240551.db2.gz VZYDHQUOTMURNW-KDOFPFPSSA-N 1 0 394.357 2.858 20 0 GFADRO CNC(=O)C[C@H](C)[NH2+]CCOc1ccc(Br)cc1C(F)(F)F ZINC000540165275 564241111 /nfs/dbraw/zinc/24/11/11/564241111.db2.gz QIJCUJNTNYDGJJ-VIFPVBQESA-N 1 0 383.208 2.961 20 0 GFADRO COCCN1CCC([NH2+]C[C@@H]2CCN(c3ccc(Br)cc3)C2)CC1 ZINC000540192296 564241683 /nfs/dbraw/zinc/24/16/83/564241683.db2.gz CSABBBPIKYEVDJ-INIZCTEOSA-N 1 0 396.373 2.976 20 0 GFADRO CC(C)Oc1cc(Br)ccc1C(=O)NC[C@@](C)(O)CC[NH+](C)C ZINC000473258564 564242409 /nfs/dbraw/zinc/24/24/09/564242409.db2.gz BAMABUDWGAXSBZ-KRWDZBQOSA-N 1 0 387.318 2.669 20 0 GFADRO Cn1ncc(Br)c1C(=O)NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000450786527 564247650 /nfs/dbraw/zinc/24/76/50/564247650.db2.gz AFDJHNDLMKWOKF-GOSISDBHSA-N 1 0 391.313 2.967 20 0 GFADRO NC(=O)c1ccc(C[NH2+]CCC(=O)Nc2ccc(Br)cc2)cc1 ZINC000507914360 564248024 /nfs/dbraw/zinc/24/80/24/564248024.db2.gz PLIDINMFJJJEQC-UHFFFAOYSA-N 1 0 376.254 2.666 20 0 GFADRO [NH3+]C[C@H]1CC[C@H](CNS(=O)(=O)c2cc(Br)ccc2F)CC1 ZINC000564798864 564249943 /nfs/dbraw/zinc/24/99/43/564249943.db2.gz XRFULBOZGZVWPP-XYPYZODXSA-N 1 0 379.295 2.632 20 0 GFADRO CC[C@H](C)[N@H+](C)CCNC(=O)Nc1ccc(S(C)(=O)=O)c(C(F)F)c1 ZINC000540528968 564251676 /nfs/dbraw/zinc/25/16/76/564251676.db2.gz CJJLLJBZOPQUSE-NSHDSACASA-N 1 0 377.457 2.880 20 0 GFADRO CC(C)[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000564836247 564251696 /nfs/dbraw/zinc/25/16/96/564251696.db2.gz RLNPNBFPFXYCMT-RSUWNVLCSA-N 1 0 383.945 2.742 20 0 GFADRO CS[C@@H]1CN(CC(=O)N(C)Cc2cc(Cl)cc(Cl)c2)C[C@@H]1[NH+](C)C ZINC000540592403 564252638 /nfs/dbraw/zinc/25/26/38/564252638.db2.gz LMRMYBJZLZJIIU-JKSUJKDBSA-N 1 0 390.380 2.929 20 0 GFADRO CCc1ncc(C[NH2+]CC(=O)N2CCN(c3cccc(Cl)c3)CC2)s1 ZINC000540802747 564256843 /nfs/dbraw/zinc/25/68/43/564256843.db2.gz JERSNPZWNDYKGY-UHFFFAOYSA-N 1 0 378.929 2.797 20 0 GFADRO CC[NH+](CC)CCCNS(=O)(=O)Cc1ccc(Br)c(F)c1 ZINC000450971974 564258014 /nfs/dbraw/zinc/25/80/14/564258014.db2.gz PZKVOVPSMPTOAL-UHFFFAOYSA-N 1 0 381.311 2.740 20 0 GFADRO C[NH2+]CCCC(=O)N(CCn1ccnc1)Cc1ccccc1Br ZINC000564936664 564258409 /nfs/dbraw/zinc/25/84/09/564258409.db2.gz IDPHNGCUPMJIEG-UHFFFAOYSA-N 1 0 379.302 2.674 20 0 GFADRO Cc1[nH]c(=O)c(C(=O)N(CCC[NH3+])Cc2ccccc2)cc1Br ZINC000564948239 564259419 /nfs/dbraw/zinc/25/94/19/564259419.db2.gz AZXNBAUCXSLQDP-UHFFFAOYSA-N 1 0 378.270 2.849 20 0 GFADRO CO[C@H]1CCN(CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)[C@@H](C[NH3+])C1 ZINC000564987799 564261094 /nfs/dbraw/zinc/26/10/94/564261094.db2.gz PUALHBHBQPJRFI-NEPJUHHUSA-N 1 0 379.810 2.735 20 0 GFADRO CC(C)[C@H]([NH2+]CCNS(=O)(=O)Cc1ccon1)c1ccc(Cl)cc1F ZINC000540987419 564262424 /nfs/dbraw/zinc/26/24/24/564262424.db2.gz PTXYUKVWVYSLNJ-INIZCTEOSA-N 1 0 389.880 2.873 20 0 GFADRO C[NH+](C)C1(CNC(=O)C2CCN(C(=O)c3ccc(Cl)s3)CC2)CCC1 ZINC000474084460 564264256 /nfs/dbraw/zinc/26/42/56/564264256.db2.gz RTAQCTDNWZNZQO-UHFFFAOYSA-N 1 0 383.945 2.854 20 0 GFADRO CCC[C@@H]([NH2+]C(C)C)C(=O)N(CCO)Cc1ccc(Br)s1 ZINC000508467532 564264393 /nfs/dbraw/zinc/26/43/93/564264393.db2.gz NIQSUAQLJYVFJS-CYBMUJFWSA-N 1 0 377.348 2.998 20 0 GFADRO C[NH+](C)CCOC1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1 ZINC000474102411 564264793 /nfs/dbraw/zinc/26/47/93/564264793.db2.gz DGJPVWSDHJEMSC-UHFFFAOYSA-N 1 0 381.325 2.725 20 0 GFADRO O=S(=O)(Cc1ccc(Br)c(F)c1)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000451054470 564267658 /nfs/dbraw/zinc/26/76/58/564267658.db2.gz LCYRUTNMXYFJRN-CABCVRRESA-N 1 0 391.306 2.634 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)c2[nH]c3ccccc3c2Br)CC12CCOCC2 ZINC000565151029 564268003 /nfs/dbraw/zinc/26/80/03/564268003.db2.gz ODAKKDAQABZUPE-GFCCVEGCSA-N 1 0 392.297 2.758 20 0 GFADRO CC(C)[NH+]1CCN(C(=O)N[C@@H]2COc3cc(F)c(Br)cc32)CC1 ZINC000508662065 564269229 /nfs/dbraw/zinc/26/92/29/564269229.db2.gz KLYFDMJOGUOMBI-CQSZACIVSA-N 1 0 386.265 2.757 20 0 GFADRO O=C(NCC[N@H+]1CC=CCC1)N[C@@H]1COc2cc(F)c(Br)cc21 ZINC000508652693 564269777 /nfs/dbraw/zinc/26/97/77/564269777.db2.gz QOLQDPVWAVLECG-CQSZACIVSA-N 1 0 384.249 2.583 20 0 GFADRO C[C@@H]1CC[N@H+](CCNS(=O)(=O)c2ccc(Cl)cc2Br)C1 ZINC000541212864 564269853 /nfs/dbraw/zinc/26/98/53/564269853.db2.gz OJDWRERVRZOBNE-SNVBAGLBSA-N 1 0 381.723 2.723 20 0 GFADRO O=C(NCC[C@H]1CCC[NH2+]1)Nc1cc(Br)ccc1-n1cccn1 ZINC000565292341 564275095 /nfs/dbraw/zinc/27/50/95/564275095.db2.gz OELVLVSNJCENRR-CYBMUJFWSA-N 1 0 378.274 2.898 20 0 GFADRO Cc1nc2sccn2c(=O)c1CC[N@H+](C[C@@H]1CCCO1)[C@H]1CCSC1 ZINC000509006128 564278844 /nfs/dbraw/zinc/27/88/44/564278844.db2.gz HNLRGNVHYSLCDS-GJZGRUSLSA-N 1 0 379.551 2.593 20 0 GFADRO NC(=O)C1(C[NH2+]Cc2ccc(Br)cc2C(F)(F)F)CCOCC1 ZINC000474483248 564279494 /nfs/dbraw/zinc/27/94/94/564279494.db2.gz ULKDDLIPRAHUIG-UHFFFAOYSA-N 1 0 395.219 2.840 20 0 GFADRO C[NH+](C)[C@@]1(CNC(=O)N[C@H](CO)c2c(Cl)cccc2Cl)CCSC1 ZINC000474492854 564279813 /nfs/dbraw/zinc/27/98/13/564279813.db2.gz HEIKQTWEBZGAPY-CZUORRHYSA-N 1 0 392.352 2.763 20 0 GFADRO C[NH+](C)[C@@]1(CNC(=O)NCc2c(F)cccc2OC(F)F)CCSC1 ZINC000474489029 564279900 /nfs/dbraw/zinc/27/99/00/564279900.db2.gz AHWZHUPRGHFANB-MRXNPFEDSA-N 1 0 377.432 2.664 20 0 GFADRO C[N@H+](CCOc1ccc(Cl)cc1Br)[C@H]1CCN2CCO[C@H]1C2 ZINC000451143541 564280246 /nfs/dbraw/zinc/28/02/46/564280246.db2.gz JWMKFHIUCMGTSM-HOCLYGCPSA-N 1 0 389.721 2.886 20 0 GFADRO CN(CC[N@H+](C)C1CC1)C(=O)[C@]12CCC(=O)N1c1cc(Cl)ccc1S2 ZINC000474566269 564281522 /nfs/dbraw/zinc/28/15/22/564281522.db2.gz INTIFDNOUMAMDX-GOSISDBHSA-N 1 0 379.913 2.821 20 0 GFADRO [NH3+][C@H](C(=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)C1CCC1 ZINC000565478493 564282419 /nfs/dbraw/zinc/28/24/19/564282419.db2.gz UUDWPXYOCXGPFU-ZDUSSCGKSA-N 1 0 376.810 2.530 20 0 GFADRO CC[C@@H]([NH2+]CCS(=O)(=O)c1ccc(Br)cc1)[C@H]1CCCO1 ZINC000541632941 564285027 /nfs/dbraw/zinc/28/50/27/564285027.db2.gz OMANMODIWHKGTQ-HUUCEWRRSA-N 1 0 376.316 2.770 20 0 GFADRO C[C@@H]1CC[NH2+][C@@H](C(=O)NC2CCN(Cc3ccc(Br)cc3)CC2)C1 ZINC000565545683 564285762 /nfs/dbraw/zinc/28/57/62/564285762.db2.gz WXBYMFPCOUPDRC-RDTXWAMCSA-N 1 0 394.357 2.918 20 0 GFADRO CN(CCC[NH+]1CCCC1)S(=O)(=O)c1ccc(Br)cc1F ZINC000541760784 564287900 /nfs/dbraw/zinc/28/79/00/564287900.db2.gz QAZOLFZLXADAHQ-UHFFFAOYSA-N 1 0 379.295 2.695 20 0 GFADRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)S(=O)(=O)Cc1ccc(Br)c(F)c1 ZINC000451241022 564290013 /nfs/dbraw/zinc/29/00/13/564290013.db2.gz IVJYOQDZDDIXDD-IAQYHMDHSA-N 1 0 393.322 2.690 20 0 GFADRO CCC(=O)N[C@@H]1CCCN(Cc2cn(-c3ccccc3Br)nn2)C1 ZINC000565688453 564291083 /nfs/dbraw/zinc/29/10/83/564291083.db2.gz VXUJUHCATBRPKH-CYBMUJFWSA-N 1 0 392.301 2.520 20 0 GFADRO Cc1nc2ccc(Br)cn2c1C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000474898177 564292739 /nfs/dbraw/zinc/29/27/39/564292739.db2.gz GDZNWRIDBIDCTD-UONOGXRCSA-N 1 0 377.286 2.762 20 0 GFADRO O=C(NCCC[NH+]1CCCC1)c1cc(I)ccc1F ZINC000474916104 564293001 /nfs/dbraw/zinc/29/30/01/564293001.db2.gz UMGIIPCZHGSICC-UHFFFAOYSA-N 1 0 376.213 2.646 20 0 GFADRO Cc1[nH]c(=O)sc1S(=O)(=O)NCC[NH2+][C@@H]1CCC[C@H](CC(C)C)C1 ZINC000474942498 564295035 /nfs/dbraw/zinc/29/50/35/564295035.db2.gz LLORJDWLJRFRRO-ZIAGYGMSSA-N 1 0 375.560 2.630 20 0 GFADRO O=S(=O)(NCC[NH2+]Cc1cc(F)cc(F)c1)c1ccc(F)cc1Cl ZINC000509406861 564296458 /nfs/dbraw/zinc/29/64/58/564296458.db2.gz YAJARXFVUQZJCG-UHFFFAOYSA-N 1 0 378.803 2.825 20 0 GFADRO C[NH+]1CCC(O)(CNC(=O)Cc2csc(-c3ccc(Cl)s3)n2)CC1 ZINC000474993497 564297503 /nfs/dbraw/zinc/29/75/03/564297503.db2.gz VBDPSKUTUHYUGU-UHFFFAOYSA-N 1 0 385.942 2.640 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S(=O)(=O)CC[NH2+]C[C@H]1CC[C@H](C)C1 ZINC000565829085 564297563 /nfs/dbraw/zinc/29/75/63/564297563.db2.gz UCLNULNGQPSMGC-HOTGVXAUSA-N 1 0 387.567 2.670 20 0 GFADRO O=C(N[C@@H]1C[NH2+]CCC1(F)F)N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 ZINC000565822605 564297944 /nfs/dbraw/zinc/29/79/44/564297944.db2.gz CCQIVGCIMCWPHC-UONOGXRCSA-N 1 0 377.794 2.559 20 0 GFADRO O[C@@H]1C[C@@H]([C@@H]2CCCOC2)[N@H+](Cc2nc3cc(Br)ccc3[nH]2)C1 ZINC000451309475 564298974 /nfs/dbraw/zinc/29/89/74/564298974.db2.gz WTEUPONDFJUDCL-KFNAQCHYSA-N 1 0 380.286 2.687 20 0 GFADRO C[C@H]1C[N@H+](C)[C@@H](C)CN1Cc1nc(Cc2cccc(Br)c2)no1 ZINC000509433381 564299795 /nfs/dbraw/zinc/29/97/95/564299795.db2.gz UNFHQBZMYTUTKA-STQMWFEESA-N 1 0 379.302 2.947 20 0 GFADRO CS[C@H]1CC[N@H+](CC(=O)N2CCN(Cc3c(F)cccc3Cl)CC2)C1 ZINC000451319805 564300082 /nfs/dbraw/zinc/30/00/82/564300082.db2.gz IWJZHFGZIUVXGW-AWEZNQCLSA-N 1 0 385.936 2.561 20 0 GFADRO CC(C)[C@H](CCO)[NH2+]C[C@H](O)COc1ccc(Cl)cc1Br ZINC000475138386 564300305 /nfs/dbraw/zinc/30/03/05/564300305.db2.gz MBRWBRPWJRJSSK-JSGCOSHPSA-N 1 0 380.710 2.839 20 0 GFADRO COc1cc(C(=O)NCC[N@H+]2CC=C(C)CC2)cc(Br)c1OC ZINC000565907351 564301476 /nfs/dbraw/zinc/30/14/76/564301476.db2.gz HUFVHPQVZHBUEV-UHFFFAOYSA-N 1 0 383.286 2.848 20 0 GFADRO CC[C@@H](C)[N@H+](C)CCNS(=O)(=O)c1c(Cl)cc(Cl)cc1C(=O)OC ZINC000509490608 564302452 /nfs/dbraw/zinc/30/24/52/564302452.db2.gz ZYIQHSHENRLADT-SNVBAGLBSA-N 1 0 397.324 2.789 20 0 GFADRO C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+][C@@H]1CCCS(=O)(=O)C1 ZINC000542137883 564302438 /nfs/dbraw/zinc/30/24/38/564302438.db2.gz IATXCHFHDYPIIO-VXGBXAGGSA-N 1 0 378.416 2.589 20 0 GFADRO C[C@@H](Cc1ccc(F)c(Br)c1)NC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC000542166648 564302974 /nfs/dbraw/zinc/30/29/74/564302974.db2.gz RLIOPNIYHHQRJJ-STQMWFEESA-N 1 0 387.293 2.604 20 0 GFADRO CCS(=O)(=O)c1ccc(CNCc2cn(-c3cc[nH+]cc3)nc2C)s1 ZINC000475213072 564303073 /nfs/dbraw/zinc/30/30/73/564303073.db2.gz VRDLLEJSIULQBZ-UHFFFAOYSA-N 1 0 376.507 2.721 20 0 GFADRO Brc1cnn(CCCC[NH2+]Cc2ccc(-n3cncn3)cc2)c1 ZINC000475223610 564303249 /nfs/dbraw/zinc/30/32/49/564303249.db2.gz IGBKUYZRFSCTOM-UHFFFAOYSA-N 1 0 375.274 2.796 20 0 GFADRO O=S(=O)(NCCNc1cc[nH+]c2ccccc12)c1ccc(F)cc1Cl ZINC000509522883 564303310 /nfs/dbraw/zinc/30/33/10/564303310.db2.gz JTCYRSPMHPCMIE-UHFFFAOYSA-N 1 0 379.844 2.840 20 0 GFADRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(Cc2ncc(Br)s2)CC1 ZINC000542156231 564303508 /nfs/dbraw/zinc/30/35/08/564303508.db2.gz SXRVZUDJCBPNKT-KBPBESRZSA-N 1 0 387.391 2.896 20 0 GFADRO CC[N@@H+]1CCC[C@@H](CNC(=O)c2c(C)nc3ccc(Br)cn32)C1 ZINC000475380922 564307134 /nfs/dbraw/zinc/30/71/34/564307134.db2.gz KFMHSCFJIZJDEJ-ZDUSSCGKSA-N 1 0 379.302 2.867 20 0 GFADRO CCCOc1ccc(Br)cc1C[NH2+][C@@H]1CCc2nnnn2CC1 ZINC000566077611 564308540 /nfs/dbraw/zinc/30/85/40/564308540.db2.gz FAFIEBFHCAGQKZ-CQSZACIVSA-N 1 0 380.290 2.719 20 0 GFADRO CO[C@@H]1CCN(C(=O)[C@H](C)Cc2ccc(F)c(Br)c2)[C@@H](C[NH3+])C1 ZINC000566099212 564309431 /nfs/dbraw/zinc/30/94/31/564309431.db2.gz XYHNQQNZYQPWFA-MRVWCRGKSA-N 1 0 387.293 2.732 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)C[NH2+]C[C@@H](O)COc1ccccc1 ZINC000566110261 564310256 /nfs/dbraw/zinc/31/02/56/564310256.db2.gz XNDRMABEVNPHSF-OAHLLOKOSA-N 1 0 393.281 2.726 20 0 GFADRO C[C@@H]1c2c(Cl)cc(Cl)cc2CCN1C(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000566190338 564315145 /nfs/dbraw/zinc/31/51/45/564315145.db2.gz QUASPUYFMQKALQ-ABAIWWIYSA-N 1 0 384.307 2.697 20 0 GFADRO O=C(c1ccccc1I)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000566198566 564316392 /nfs/dbraw/zinc/31/63/92/564316392.db2.gz DLZJECSWYQFDFC-STQMWFEESA-N 1 0 384.261 2.753 20 0 GFADRO O=S(=O)(c1ccc(C(F)(F)F)c(F)c1)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000566224048 564316898 /nfs/dbraw/zinc/31/68/98/564316898.db2.gz FUHJSGHRXSEAKE-NEPJUHHUSA-N 1 0 380.407 2.855 20 0 GFADRO C[C@H]([NH3+])[C@H](C)NC(=O)c1nn(-c2ccc(Br)cc2)c2c1CCCC2 ZINC000566214442 564317058 /nfs/dbraw/zinc/31/70/58/564317058.db2.gz JEMGOSIDUGJJQA-RYUDHWBXSA-N 1 0 391.313 2.979 20 0 GFADRO OC[C@@H](C[NH2+]C[C@@H](O)Cc1ccc(F)cc1)Cc1ccccc1Br ZINC000566231161 564318489 /nfs/dbraw/zinc/31/84/89/564318489.db2.gz LQCRWMOFCBSSJC-QAPCUYQASA-N 1 0 396.300 2.932 20 0 GFADRO CN(CCC[NH+](C)C)C(=O)Nc1ccc(F)cc1I ZINC000542700325 564321510 /nfs/dbraw/zinc/32/15/10/564321510.db2.gz QQRLSCGBPILJSA-UHFFFAOYSA-N 1 0 379.217 2.846 20 0 GFADRO COc1ccc(-c2nc(CSc3nnnn3CC[NH+](C)C)cs2)cc1 ZINC000510091008 564325162 /nfs/dbraw/zinc/32/51/62/564325162.db2.gz ZUBXHCTUSJZPSX-UHFFFAOYSA-N 1 0 376.511 2.659 20 0 GFADRO Cc1nc2ccc(Br)cn2c1C(=O)N1CCC(C[NH+](C)C)CC1 ZINC000476041732 564326533 /nfs/dbraw/zinc/32/65/33/564326533.db2.gz MUFUXMAYXOWQJZ-UHFFFAOYSA-N 1 0 379.302 2.819 20 0 GFADRO CCOCCC[N@@H+]1CC[C@@H](NS(=O)(=O)c2cccc(SC)c2)[C@@H](C)C1 ZINC000510144690 564326636 /nfs/dbraw/zinc/32/66/36/564326636.db2.gz CPHXIWNGSGOXPT-MAUKXSAKSA-N 1 0 386.583 2.824 20 0 GFADRO O=C(Nc1cncc(Br)c1)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000566429612 564326937 /nfs/dbraw/zinc/32/69/37/564326937.db2.gz XNAIPCRSOCMWAV-OAHLLOKOSA-N 1 0 383.290 2.563 20 0 GFADRO C[C@H](c1ccccc1Br)[NH+]1CCC(CNS(C)(=O)=O)CC1 ZINC000510197151 564327576 /nfs/dbraw/zinc/32/75/76/564327576.db2.gz FKDKGQKLJHLYMO-GFCCVEGCSA-N 1 0 375.332 2.771 20 0 GFADRO COC(=O)c1ccc(C[NH2+][C@@H]2CCN(c3ccccc3Br)C2)[nH]1 ZINC000542853764 564328900 /nfs/dbraw/zinc/32/89/00/564328900.db2.gz LBNFJSMUFSFORL-CYBMUJFWSA-N 1 0 378.270 2.932 20 0 GFADRO COc1ccc(Br)c(C[NH2+][C@H]2CCC[C@H](S(C)(=O)=O)C2)c1 ZINC000510285821 564329169 /nfs/dbraw/zinc/32/91/69/564329169.db2.gz FCZIMSVTEGQVRM-JSGCOSHPSA-N 1 0 376.316 2.903 20 0 GFADRO COc1ccc(Br)c(C[NH2+][C@H]2CCC[C@@H](S(C)(=O)=O)C2)c1 ZINC000510285818 564329231 /nfs/dbraw/zinc/32/92/31/564329231.db2.gz FCZIMSVTEGQVRM-GXTWGEPZSA-N 1 0 376.316 2.903 20 0 GFADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@@H](C)Cc1ccc(Br)cc1 ZINC000476183181 564329845 /nfs/dbraw/zinc/32/98/45/564329845.db2.gz QYIZPSFIHHPDSS-YOEHRIQHSA-N 1 0 398.345 2.790 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)N[C@H](CCO)c2ccccc2Br)CC[N@@H+]1C ZINC000542896917 564330232 /nfs/dbraw/zinc/33/02/32/564330232.db2.gz XSDMCEFXNNJSNO-DVOMOZLQSA-N 1 0 384.318 2.655 20 0 GFADRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)N[C@@H](CCO)c1ccccc1Br ZINC000542894457 564330289 /nfs/dbraw/zinc/33/02/89/564330289.db2.gz PVCIGKWNFWDTTJ-GUYCJALGSA-N 1 0 396.329 2.656 20 0 GFADRO OC[C@@H]([C@@H]([NH2+]C[C@H](O)COc1ccc(Br)cc1)C1CC1)C1CC1 ZINC000451597653 564330302 /nfs/dbraw/zinc/33/03/02/564330302.db2.gz UYNLHZNOKXQBCG-JQHSSLGASA-N 1 0 384.314 2.576 20 0 GFADRO Cc1cc(Br)cc(C(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])c1C ZINC000566507993 564330865 /nfs/dbraw/zinc/33/08/65/564330865.db2.gz PSNSKUQXMGGDOR-OAHLLOKOSA-N 1 0 396.329 2.526 20 0 GFADRO C[C@@]1(C(=O)N2CCN(Cc3ccc(Br)s3)CC2)CCCC[NH2+]1 ZINC000510475847 564334854 /nfs/dbraw/zinc/33/48/54/564334854.db2.gz VHPMZQVWLNYFHA-INIZCTEOSA-N 1 0 386.359 2.687 20 0 GFADRO C[C@@H]([NH3+])C[C@H](C)NC(=O)Nc1cc(F)c(F)cc1I ZINC000566620132 564335485 /nfs/dbraw/zinc/33/54/85/564335485.db2.gz NSAANSMWAUFIAE-RQJHMYQMSA-N 1 0 383.180 2.817 20 0 GFADRO CN(CCC[NH+]1CCCC1)C(=O)NCCOc1ncc(Cl)cc1Cl ZINC000543075325 564337387 /nfs/dbraw/zinc/33/73/87/564337387.db2.gz RHKLFKIZWVYCNY-UHFFFAOYSA-N 1 0 375.300 2.895 20 0 GFADRO Cc1c(C(=O)N[C@H](CC[NH3+])C(F)F)cnn1-c1ccc(Br)cc1 ZINC000566738483 564341288 /nfs/dbraw/zinc/34/12/88/564341288.db2.gz VTKFOVSGXNSHTG-CYBMUJFWSA-N 1 0 387.228 2.656 20 0 GFADRO COC(=O)C[C@@H]1CSCC[N@@H+]1C[C@H](O)CO[C@@H](C)c1ccc(Cl)cc1 ZINC000476571601 564345674 /nfs/dbraw/zinc/34/56/74/564345674.db2.gz KJVUJBPMCASZRK-XKQJLSEDSA-N 1 0 387.929 2.759 20 0 GFADRO Cc1cc(OCCC[C@H](C)[NH2+]C[C@@H]2CS(=O)(=O)CCO2)ccc1Cl ZINC000510746007 564345786 /nfs/dbraw/zinc/34/57/86/564345786.db2.gz BKENGQKZLPLRJY-GOEBONIOSA-N 1 0 375.918 2.599 20 0 GFADRO CS(=O)(=O)N[C@H]1CCCC[C@@H]1[NH2+]CCc1cccc(OC(F)(F)F)c1 ZINC000510745167 564345919 /nfs/dbraw/zinc/34/59/19/564345919.db2.gz JCVFCPIMWSJJRO-GJZGRUSLSA-N 1 0 380.432 2.578 20 0 GFADRO NS(=O)(=O)[C@@H]1CCC[N@H+](CCCCOc2cccc(C(F)(F)F)c2)C1 ZINC000543439615 564351641 /nfs/dbraw/zinc/35/16/41/564351641.db2.gz OSDBSTHUFRCHIH-OAHLLOKOSA-N 1 0 380.432 2.617 20 0 GFADRO CCOC(=O)[C@@H]1CCC[C@@H]1[NH2+]CC(=O)N[C@H](C)c1ccc(Br)cc1 ZINC000451791550 564352427 /nfs/dbraw/zinc/35/24/27/564352427.db2.gz QQQLITAQQSTYMD-WQVCFCJDSA-N 1 0 397.313 2.948 20 0 GFADRO CCC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1cc(C)c(Br)s1 ZINC000511001406 564353084 /nfs/dbraw/zinc/35/30/84/564353084.db2.gz ULVAGXDPVSATGK-NSHDSACASA-N 1 0 381.361 2.972 20 0 GFADRO C[C@@H]1CN(CC(F)(F)F)CC[N@H+](C[C@H](O)COc2ccc(Cl)cc2)C1 ZINC000451870825 564361248 /nfs/dbraw/zinc/36/12/48/564361248.db2.gz ISUSBJXPNJEPGR-ZFWWWQNUSA-N 1 0 380.838 2.896 20 0 GFADRO O[C@H]([C@@H]1CC[N@@H+](C[C@H](O)COc2cc(Cl)ccc2Cl)C1)C(F)(F)F ZINC000451882490 564362582 /nfs/dbraw/zinc/36/25/82/564362582.db2.gz CEGYEEMBHXKCLK-OLUVUFQESA-N 1 0 388.213 2.978 20 0 GFADRO O[C@H]([C@H]1CC[N@@H+](C[C@H](O)COc2cc(Cl)ccc2Cl)C1)C(F)(F)F ZINC000451882489 564362663 /nfs/dbraw/zinc/36/26/63/564362663.db2.gz CEGYEEMBHXKCLK-NURSFMCSSA-N 1 0 388.213 2.978 20 0 GFADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N[C@H]1CCSc2ccc(Cl)cc21 ZINC000477060209 564363488 /nfs/dbraw/zinc/36/34/88/564363488.db2.gz CREZGFKQEUDKNS-WFASDCNBSA-N 1 0 383.945 2.840 20 0 GFADRO C[C@@](CO)([NH2+]C[C@H](O)COCC(F)(F)F)c1cc(Cl)cc(Cl)c1 ZINC000451903318 564364683 /nfs/dbraw/zinc/36/46/83/564364683.db2.gz DUZYHCDUSJXQEJ-STQMWFEESA-N 1 0 376.202 2.730 20 0 GFADRO CC(=O)NCC[N@@H+](Cc1cn(C)nc1-c1cccs1)C1CCSCC1 ZINC000567294220 564365269 /nfs/dbraw/zinc/36/52/69/564365269.db2.gz FTXDNPZMWZDHFC-UHFFFAOYSA-N 1 0 378.567 2.982 20 0 GFADRO CS[C@H]1CN(S(=O)(=O)c2cc(C)c(F)cc2Cl)C[C@@H]1[NH+]1CCCC1 ZINC000477117731 564365483 /nfs/dbraw/zinc/36/54/83/564365483.db2.gz JLYYJFYKPVMQSB-GJZGRUSLSA-N 1 0 392.949 2.988 20 0 GFADRO C[C@@H](CNS(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCCCO1)[NH+](C)C ZINC000451924835 564367548 /nfs/dbraw/zinc/36/75/48/564367548.db2.gz FNNUPGKYKVWHHM-ZFWWWQNUSA-N 1 0 390.933 2.516 20 0 GFADRO C[N@@H+]1CC[C@H]2CCN(C(=O)NCc3cc(F)c(F)cc3Br)[C@@H]2C1 ZINC000511358740 564368924 /nfs/dbraw/zinc/36/89/24/564368924.db2.gz HBWRKEWOPNGKNJ-ZUZCIYMTSA-N 1 0 388.256 2.963 20 0 GFADRO COC[C@]1(CO)CCN(Cc2ncc(-c3cccc(Br)c3)o2)C1 ZINC000451940044 564370324 /nfs/dbraw/zinc/37/03/24/564370324.db2.gz ZXMVRBMAEAYEDP-QGZVFWFLSA-N 1 0 381.270 2.935 20 0 GFADRO CS(=O)(=O)N1CCC[C@@H]([NH2+][C@@H]2CCCc3c(Br)cccc32)C1 ZINC000544043468 564372243 /nfs/dbraw/zinc/37/22/43/564372243.db2.gz VHCKQWHLPNAYMI-MLGOLLRUSA-N 1 0 387.343 2.840 20 0 GFADRO Cc1ccc(CCC(=O)NC[C@H](O)C[NH+]2CCC(C)CC2)c(Br)c1 ZINC000477346168 564374479 /nfs/dbraw/zinc/37/44/79/564374479.db2.gz DLQIEODGPPOBDX-KRWDZBQOSA-N 1 0 397.357 2.899 20 0 GFADRO COCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](Cc2cc(O)ccc2Br)C1 ZINC000511507213 564374547 /nfs/dbraw/zinc/37/45/47/564374547.db2.gz KLMZRBOCMRVNLG-QWHCGFSZSA-N 1 0 385.302 2.518 20 0 GFADRO CC[N@@H+]1CCN(C[C@H](O)COc2ccc(Cl)cc2Br)[C@@H](C)C1 ZINC000511584699 564376265 /nfs/dbraw/zinc/37/62/65/564376265.db2.gz IXINHSJWWJOURQ-JSGCOSHPSA-N 1 0 391.737 2.868 20 0 GFADRO COC[C@]1(CNC(=O)[C@@H](C)Cc2ccc(F)c(Br)c2)CCC[NH2+]1 ZINC000567580901 564378572 /nfs/dbraw/zinc/37/85/72/564378572.db2.gz AVKIJRVWNGBDBA-YVEFUNNKSA-N 1 0 387.293 2.652 20 0 GFADRO C[NH+](C)Cc1ccc(S(=O)(=O)NCc2ccc(O)c(Br)c2)cc1 ZINC000477490804 564378758 /nfs/dbraw/zinc/37/87/58/564378758.db2.gz HSCFZHWASPWZRJ-UHFFFAOYSA-N 1 0 399.310 2.695 20 0 GFADRO CN(C(=O)c1ncc(Br)cc1Br)C1(C[NH3+])CCC1 ZINC000567581138 564378795 /nfs/dbraw/zinc/37/87/95/564378795.db2.gz YVNYRCUFVAGMKR-UHFFFAOYSA-N 1 0 377.080 2.560 20 0 GFADRO CC[NH+](CC)CCCNC(=O)c1ccc(F)c(I)c1 ZINC000477507072 564379709 /nfs/dbraw/zinc/37/97/09/564379709.db2.gz JXTWKTYLJPSUFZ-UHFFFAOYSA-N 1 0 378.229 2.892 20 0 GFADRO CN(C)C(=O)N[C@H]1CCC[N@H+](CCC(=O)Nc2cccc(Br)c2)C1 ZINC000452005082 564380570 /nfs/dbraw/zinc/38/05/70/564380570.db2.gz CCSRVHJAXHWFQW-HNNXBMFYSA-N 1 0 397.317 2.513 20 0 GFADRO CCO[C@@H]1CCC[C@H]1[NH2+]CC(=O)Nc1ccc(I)cc1 ZINC000452008288 564381534 /nfs/dbraw/zinc/38/15/34/564381534.db2.gz AKPWWHOJROROEP-ZIAGYGMSSA-N 1 0 388.249 2.777 20 0 GFADRO C[N@H+](CCNC(=O)Cc1ccc(Br)cc1O)Cc1ccccc1 ZINC000477609611 564381897 /nfs/dbraw/zinc/38/18/97/564381897.db2.gz GUZODKYASLDQEE-UHFFFAOYSA-N 1 0 377.282 2.945 20 0 GFADRO COc1ccc(C(=O)Nc2cnc3c(c2)C[C@H]([NH3+])CC3)c(Br)c1 ZINC000567669882 564382178 /nfs/dbraw/zinc/38/21/78/564382178.db2.gz SHOVQSDJSWMJKB-LLVKDONJSA-N 1 0 376.254 2.921 20 0 GFADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)N(Cc1c(Cl)cccc1Cl)C1CC1 ZINC000477634722 564383091 /nfs/dbraw/zinc/38/30/91/564383091.db2.gz FWMGCKIKLNRIEZ-AWEZNQCLSA-N 1 0 385.339 2.913 20 0 GFADRO C[C@H]1[NH2+]CC[C@@H]1C(=O)N1CCC(C(=O)Nc2cccc(Br)c2)CC1 ZINC000567765119 564387281 /nfs/dbraw/zinc/38/72/81/564387281.db2.gz IJGROXRFCMWKME-WBMJQRKESA-N 1 0 394.313 2.624 20 0 GFADRO C[C@@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH2+][C@@H]1CCC(=O)NC1 ZINC000512011975 564389714 /nfs/dbraw/zinc/38/97/14/564389714.db2.gz XLBCFTCTHVUASO-GXSJLCMTSA-N 1 0 377.794 2.944 20 0 GFADRO C[C@H](C[C@H](C)[NH3+])NC(=O)NCc1cc(Br)ccc1OC(F)F ZINC000567820126 564391094 /nfs/dbraw/zinc/39/10/94/564391094.db2.gz GFABEWJFWNMLMY-DTWKUNHWSA-N 1 0 380.233 2.976 20 0 GFADRO C[C@]1(CNC(=O)[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)CCC[NH2+]C1 ZINC000567839271 564391680 /nfs/dbraw/zinc/39/16/80/564391680.db2.gz DNNTYHOPFFSFJR-ACJLOTCBSA-N 1 0 384.307 2.852 20 0 GFADRO CC(C)C[NH+]1CCC(NCc2ncc(I)s2)CC1 ZINC000512083839 564391671 /nfs/dbraw/zinc/39/16/71/564391671.db2.gz LUBVJRFSBYPFRM-UHFFFAOYSA-N 1 0 379.311 2.958 20 0 GFADRO C[C@@H]1CCCCC[N@@H+]1CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000512160498 564393544 /nfs/dbraw/zinc/39/35/44/564393544.db2.gz QITIWAAFHBFQSN-CYBMUJFWSA-N 1 0 387.933 2.793 20 0 GFADRO CC(C)[N@@H+]1CC[C@@H](N(C)C[C@@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000452110831 564394052 /nfs/dbraw/zinc/39/40/52/564394052.db2.gz AOMTWPUERFXWLA-HZPDHXFCSA-N 1 0 389.309 2.742 20 0 GFADRO CCC[C@]1([NH2+]CCS(=O)(=O)c2cccc(Br)c2)CCOC1 ZINC000512253612 564395724 /nfs/dbraw/zinc/39/57/24/564395724.db2.gz QZEUDZIHBIDDOU-HNNXBMFYSA-N 1 0 376.316 2.772 20 0 GFADRO Cc1[nH+]ccc(N2CCN(S(=O)(=O)c3ccc(F)cc3F)CC2)c1Cl ZINC000478225454 564397503 /nfs/dbraw/zinc/39/75/03/564397503.db2.gz HKZVXARCDCQXAE-UHFFFAOYSA-N 1 0 387.839 2.833 20 0 GFADRO O=C(NCCCC[NH+]1CCOCC1)[C@H]1CCc2cc(Br)ccc21 ZINC000567943712 564397860 /nfs/dbraw/zinc/39/78/60/564397860.db2.gz UIOYNFQAGNXAQR-KRWDZBQOSA-N 1 0 381.314 2.708 20 0 GFADRO C[C@@H]1CN(C(=O)[C@H]2COc3ccc(Br)cc32)CC[N@@H+](C2CC2)C1 ZINC000452173854 564397902 /nfs/dbraw/zinc/39/79/02/564397902.db2.gz ODXLBFQPQJGHTA-LRDDRELGSA-N 1 0 379.298 2.868 20 0 GFADRO C[C@H]1CN(C(=O)Cc2ccccc2I)CC[N@@H+](C2CC2)C1 ZINC000452173837 564398316 /nfs/dbraw/zinc/39/83/16/564398316.db2.gz OBCQHJXIPCILIE-CYBMUJFWSA-N 1 0 398.288 2.776 20 0 GFADRO CCn1c(CNC(=O)NCC[NH+](CC)CC)nc2cc(Br)ccc21 ZINC000478470654 564404026 /nfs/dbraw/zinc/40/40/26/564404026.db2.gz OGLHWCCOVOLZRL-UHFFFAOYSA-N 1 0 396.333 2.960 20 0 GFADRO N[C@](C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1)(c1cccc(Cl)c1)C(F)(F)F ZINC000568084886 564404569 /nfs/dbraw/zinc/40/45/69/564404569.db2.gz WBIBSEKSVWEJCF-HOTGVXAUSA-N 1 0 375.822 2.658 20 0 GFADRO COc1c[nH+]ccc1N1CCN(C(=O)c2cccc(Br)c2F)CC1 ZINC000478488529 564404848 /nfs/dbraw/zinc/40/48/48/564404848.db2.gz JVBSKPFOGDSLOP-UHFFFAOYSA-N 1 0 394.244 2.954 20 0 GFADRO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)c1cnn2cc(Br)cnc12 ZINC000452345056 564406781 /nfs/dbraw/zinc/40/67/81/564406781.db2.gz PTHIHCSVFJSJPV-AWEZNQCLSA-N 1 0 394.317 2.732 20 0 GFADRO CC1=CC[N@H+](CCNC(=O)C[C@@H]2Sc3ccc(Cl)cc3NC2=O)CC1 ZINC000545154778 564410402 /nfs/dbraw/zinc/41/04/02/564410402.db2.gz WKPQYQALGFYTAG-INIZCTEOSA-N 1 0 379.913 2.911 20 0 GFADRO O=C(N[C@H]1CCC[N@@H+](CCCO)C1)c1cc2c(cc(Br)cc2F)[nH]1 ZINC000452374918 564410459 /nfs/dbraw/zinc/41/04/59/564410459.db2.gz LMUFANVNQMPIAF-LBPRGKRZSA-N 1 0 398.276 2.646 20 0 GFADRO CCn1c(SC[C@@H](O)C[N@H+](C)CCOC)nnc1-c1ccc(Cl)cc1 ZINC000568247276 564411139 /nfs/dbraw/zinc/41/11/39/564411139.db2.gz HPJQRHACOIDSFP-HNNXBMFYSA-N 1 0 384.933 2.650 20 0 GFADRO CCOC(=O)C1CCC(O)(C[NH2+]CCc2nc(C(F)(F)F)cs2)CC1 ZINC000568254984 564411158 /nfs/dbraw/zinc/41/11/58/564411158.db2.gz XULRQLNGTIBBOW-UHFFFAOYSA-N 1 0 380.432 2.778 20 0 GFADRO O=C(NC[C@H]1CCCC[N@H+]1CCO)c1ccc(Br)c(Cl)c1F ZINC000452380703 564411305 /nfs/dbraw/zinc/41/13/05/564411305.db2.gz UDKPGYVBYMWCIU-SNVBAGLBSA-N 1 0 393.684 2.818 20 0 GFADRO O=C(N[C@@H]1CCC[N@@H+](CCCO)C1)c1ccc(Br)c(Cl)c1F ZINC000452381569 564411707 /nfs/dbraw/zinc/41/17/07/564411707.db2.gz JVRVJKHEWPNSAX-SNVBAGLBSA-N 1 0 393.684 2.818 20 0 GFADRO CC[C@H](Cc1ccccc1Br)C(=O)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000452380742 564411980 /nfs/dbraw/zinc/41/19/80/564411980.db2.gz HJALBKCEZXPZFK-NVXWUHKLSA-N 1 0 397.357 2.981 20 0 GFADRO COC(=O)CCCN1CCC([NH2+]Cc2cc(Br)ccc2OC)CC1 ZINC000545209075 564413967 /nfs/dbraw/zinc/41/39/67/564413967.db2.gz MIQRENSMKJJGCC-UHFFFAOYSA-N 1 0 399.329 2.965 20 0 GFADRO Cc1ccc(C[NH2+]CCCNS(=O)(=O)c2ccccc2Br)nc1 ZINC000512868318 564414503 /nfs/dbraw/zinc/41/45/03/564414503.db2.gz ARGTUMSFWRUNKT-UHFFFAOYSA-N 1 0 398.326 2.611 20 0 GFADRO CS(=O)(=O)N[C@H]1CCCC[C@H]1C[NH2+]Cc1ccc(OCC(F)F)cc1 ZINC000512861406 564414792 /nfs/dbraw/zinc/41/47/92/564414792.db2.gz OPXZJYOGBWEMOZ-HOCLYGCPSA-N 1 0 376.469 2.528 20 0 GFADRO CC[NH+]1CCC(CNc2ncc(Cn3cc(Br)cn3)s2)CC1 ZINC000568344466 564414943 /nfs/dbraw/zinc/41/49/43/564414943.db2.gz DBETWNAQPREZFK-UHFFFAOYSA-N 1 0 384.347 3.294 20 0 GFADRO COc1cc(OC)c(S(=O)(=O)N2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc1Cl ZINC000568375337 564416333 /nfs/dbraw/zinc/41/63/33/564416333.db2.gz HEHGLDXXCAZJID-JSGCOSHPSA-N 1 0 388.917 2.510 20 0 GFADRO Fc1ccc(Br)c(C[NH2+]C[C@H](N2CCOCC2)C(F)(F)F)c1 ZINC000513016798 564417600 /nfs/dbraw/zinc/41/76/00/564417600.db2.gz LTQQWONBCNTJJU-ZDUSSCGKSA-N 1 0 385.199 2.941 20 0 GFADRO CC[C@@H](C)[N@H+](C)CCNC(=O)N(CCO)Cc1ccc(Br)s1 ZINC000478896958 564418163 /nfs/dbraw/zinc/41/81/63/564418163.db2.gz HSFRKONZDDLLJT-GFCCVEGCSA-N 1 0 392.363 2.745 20 0 GFADRO C[C@@H]1CN(C(=O)c2cc(F)ccc2I)C[C@H](C)N1C ZINC000513066361 564418951 /nfs/dbraw/zinc/41/89/51/564418951.db2.gz YTDKTGJXUAIMRJ-AOOOYVTPSA-N 1 0 376.213 2.595 20 0 GFADRO C[C@@H](Cc1ccc(F)cc1Br)[NH2+]CC1CCS(=O)(=O)CC1 ZINC000568438859 564419365 /nfs/dbraw/zinc/41/93/65/564419365.db2.gz NIXMCKUBRUXMQR-NSHDSACASA-N 1 0 378.307 2.934 20 0 GFADRO CCc1nnc(NC(=O)[C@@H](C)[C@H](C)[NH2+]Cc2cc(C(F)(F)F)n[nH]2)s1 ZINC000513094376 564419553 /nfs/dbraw/zinc/41/95/53/564419553.db2.gz ICBDRGLKIGUATF-YUMQZZPRSA-N 1 0 376.408 2.595 20 0 GFADRO COC(=O)C[C@@](C)([NH2+]C[C@H](O)C(F)(F)F)c1ccc(Br)cc1 ZINC000513121287 564421062 /nfs/dbraw/zinc/42/10/62/564421062.db2.gz BKRNKAUEYZIJEF-WCQYABFASA-N 1 0 384.192 2.740 20 0 GFADRO C[C@H]1[NH2+]CC[C@@H]1C(=O)NCc1cc(Br)ccc1Br ZINC000568508905 564422147 /nfs/dbraw/zinc/42/21/47/564422147.db2.gz SEBYMEKCTULRQP-KCJUWKMLSA-N 1 0 376.092 2.826 20 0 GFADRO COC(=O)c1cc(Cl)ccc1S(=O)(=O)NC[C@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000513143465 564422157 /nfs/dbraw/zinc/42/21/57/564422157.db2.gz NLIVZHURIQAAFP-STQMWFEESA-N 1 0 388.917 2.668 20 0 GFADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)NCC1=CCCOC1 ZINC000513156804 564422694 /nfs/dbraw/zinc/42/26/94/564422694.db2.gz XCXCIBDXPCOYOQ-UHFFFAOYSA-N 1 0 396.329 2.869 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)C(=O)N1CC[C@@H](C[N@@H+](C)CC)C1 ZINC000479035706 564423373 /nfs/dbraw/zinc/42/33/73/564423373.db2.gz SLSJTDFZPRPNHJ-ZDUSSCGKSA-N 1 0 396.329 2.750 20 0 GFADRO COc1cc(Br)cc(S(=O)(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)c1 ZINC000545467535 564424493 /nfs/dbraw/zinc/42/44/93/564424493.db2.gz TXNVJWFIFGYCJC-NSHDSACASA-N 1 0 393.347 2.712 20 0 GFADRO C[C@H](CC[NH+](C)C)NC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000479092676 564425203 /nfs/dbraw/zinc/42/52/03/564425203.db2.gz FNPNEVISYGTUNN-BTJLNZGRSA-N 1 0 386.323 2.969 20 0 GFADRO O=C(CCOc1ccc(Cl)c(Cl)c1)NC[C@@H]1CCC[N@H+]1CCCO ZINC000452779290 564431002 /nfs/dbraw/zinc/43/10/02/564431002.db2.gz FTHOLTJSPIZYIA-ZDUSSCGKSA-N 1 0 375.296 2.725 20 0 GFADRO CC(C)[NH+](CCN(C)C(=O)NCCCn1cc(Br)cn1)C(C)C ZINC000513585539 564433033 /nfs/dbraw/zinc/43/30/33/564433033.db2.gz GWIULMADOCZOSF-UHFFFAOYSA-N 1 0 388.354 2.796 20 0 GFADRO Brc1ccc(OCc2ccccn2)c(C[NH2+]C[C@H]2COCCO2)c1 ZINC000513626717 564434695 /nfs/dbraw/zinc/43/46/95/564434695.db2.gz BVNSRZITVITKRZ-KRWDZBQOSA-N 1 0 393.281 2.928 20 0 GFADRO CC[N@@H+]1CCC[C@H](CNS(=O)(=O)c2cc(Br)ccc2C)C1 ZINC000545886264 564435732 /nfs/dbraw/zinc/43/57/32/564435732.db2.gz QTHVGWIMVZZXAE-CYBMUJFWSA-N 1 0 375.332 2.768 20 0 GFADRO C[N@@H+]1CC[C@](O)(CNC(=O)Nc2ccc(Br)c3ccccc23)C1 ZINC000545877118 564435911 /nfs/dbraw/zinc/43/59/11/564435911.db2.gz ZNAATGILNOIDKR-KRWDZBQOSA-N 1 0 378.270 2.790 20 0 GFADRO O=C(NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cscc1Br ZINC000513716628 564436564 /nfs/dbraw/zinc/43/65/64/564436564.db2.gz FPMBKKXQVSZZOJ-KRWDZBQOSA-N 1 0 395.322 2.877 20 0 GFADRO CS(=O)(=O)NCCC[NH2+][C@@H](c1ccc(Br)cc1F)C1CC1 ZINC000479365526 564437505 /nfs/dbraw/zinc/43/75/05/564437505.db2.gz YIORDKJAQYLAPU-CQSZACIVSA-N 1 0 379.295 2.568 20 0 GFADRO Cc1cnc(CC[NH2+][C@@H](C)c2cc(S(N)(=O)=O)c(Cl)cc2Cl)nc1 ZINC000479390382 564438163 /nfs/dbraw/zinc/43/81/63/564438163.db2.gz LQDGAEXIZAEYFO-JTQLQIEISA-N 1 0 389.308 2.633 20 0 GFADRO COc1ccc(C(=O)N2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)c(Br)c1 ZINC000568870175 564439081 /nfs/dbraw/zinc/43/90/81/564439081.db2.gz SUXWZYDRECLLQM-SJORKVTESA-N 1 0 397.313 2.816 20 0 GFADRO COCC[NH2+]C1CCN(C(=O)Nc2c(F)cc(Br)cc2F)CC1 ZINC000568893577 564439678 /nfs/dbraw/zinc/43/96/78/564439678.db2.gz SRDSRBBQSKLJRB-UHFFFAOYSA-N 1 0 392.244 2.960 20 0 GFADRO Cc1cc(C)c(S(N)(=O)=O)cc1[C@@H](C)[NH2+]CCOCC(F)(F)C(F)F ZINC000479460096 564440531 /nfs/dbraw/zinc/44/05/31/564440531.db2.gz JRNJZOLNHCLMTL-LLVKDONJSA-N 1 0 386.411 2.518 20 0 GFADRO C[C@H](N[C@H]1CCC[N@H+](C)[C@@H]1C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000479458510 564440585 /nfs/dbraw/zinc/44/05/85/564440585.db2.gz VLNRPTBDHLODSX-RBZYPMLTSA-N 1 0 380.341 2.774 20 0 GFADRO C[C@@H]1CCc2ccc(Br)cc2[C@@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC000479453838 564440695 /nfs/dbraw/zinc/44/06/95/564440695.db2.gz NLLZWMKBXLEUGK-ABAIWWIYSA-N 1 0 380.286 2.604 20 0 GFADRO CCO[C@@H]1COCC[C@@H]1[NH2+]Cc1cc(Br)c2c(c1)OCCCO2 ZINC000546054288 564441968 /nfs/dbraw/zinc/44/19/68/564441968.db2.gz GTPNWXRFBWFEJE-GOEBONIOSA-N 1 0 386.286 2.894 20 0 GFADRO COc1cc(OC)c(NC(=O)NCCC2=CC[NH2+]CC2)cc1Br ZINC000568963798 564442580 /nfs/dbraw/zinc/44/25/80/564442580.db2.gz SFWYUMNIFVSTSX-UHFFFAOYSA-N 1 0 384.274 2.898 20 0 GFADRO O=S(=O)(NC1CC[NH+](C2CCCC2)CC1)c1ccc(Br)o1 ZINC000546064261 564442654 /nfs/dbraw/zinc/44/26/54/564442654.db2.gz VQJIXMCWLFSGOJ-UHFFFAOYSA-N 1 0 377.304 2.727 20 0 GFADRO CO[C@H]1CCN(CC(=O)Nc2ccc(Cl)cc2C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000569003121 564444539 /nfs/dbraw/zinc/44/45/39/564444539.db2.gz IZRZNDGZFJCBGH-NEPJUHHUSA-N 1 0 379.810 2.735 20 0 GFADRO C[C@@H]([NH2+]CCNC(=O)C1CC1)c1ccc(F)c(I)c1 ZINC000453052264 564444945 /nfs/dbraw/zinc/44/49/45/564444945.db2.gz CLNGAIQCXNOXAS-SECBINFHSA-N 1 0 376.213 2.607 20 0 GFADRO CCS(=O)(=O)N(C)CCC[NH2+][C@@H](Cc1ccccc1Cl)[C@@H]1CCCO1 ZINC000453067168 564445834 /nfs/dbraw/zinc/44/58/34/564445834.db2.gz XFPHKHLTELVMIT-ROUUACIJSA-N 1 0 388.961 2.691 20 0 GFADRO O=C(N[C@H]1CC[N@@H+](C2CC2)C1)c1ncc(Br)cc1Br ZINC000546156887 564446679 /nfs/dbraw/zinc/44/66/79/564446679.db2.gz DRPRXFRUVOBBBD-VIFPVBQESA-N 1 0 389.091 2.573 20 0 GFADRO CN1CCN(C(=O)CC[NH2+][C@@H](Cc2ccccc2Br)C2CC2)CC1 ZINC000453104639 564446946 /nfs/dbraw/zinc/44/69/46/564446946.db2.gz FOHXXMVXSFQBOT-SFHVURJKSA-N 1 0 394.357 2.524 20 0 GFADRO C[C@H]([NH2+]C[C@]1(CCO)CCOC1)c1ccc(F)c(I)c1 ZINC000453129864 564447787 /nfs/dbraw/zinc/44/77/87/564447787.db2.gz BJUPHXHGPXXGSU-NHYWBVRUSA-N 1 0 393.240 2.870 20 0 GFADRO CCS(=O)(=O)C[C@@H](C)[NH2+][C@H](C)c1ccc(F)c(I)c1 ZINC000453140411 564447984 /nfs/dbraw/zinc/44/79/84/564447984.db2.gz KFIYKKSTZGNJFE-NXEZZACHSA-N 1 0 399.269 2.904 20 0 GFADRO CNS(=O)(=O)c1cccc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2csc(C)c2)c1 ZINC000453165178 564448628 /nfs/dbraw/zinc/44/86/28/564448628.db2.gz UYLCEUKFPFYMBA-CHWSQXEVSA-N 1 0 381.523 2.642 20 0 GFADRO Cc1cc(Br)cn2cc(CC[NH2+]C[C@H](O)CCOC(C)C)nc12 ZINC000569096845 564449163 /nfs/dbraw/zinc/44/91/63/564449163.db2.gz OXKICXBHPYXWJI-MRXNPFEDSA-N 1 0 384.318 2.713 20 0 GFADRO Cc1ccc(Br)c(S(=O)(=O)NCC[NH2+][C@@H]2CCCC23CC3)c1 ZINC000569122498 564449445 /nfs/dbraw/zinc/44/94/45/564449445.db2.gz PPNUXYIEAYQHCR-OAHLLOKOSA-N 1 0 387.343 2.958 20 0 GFADRO COc1ccc([C@H](C)[NH2+]CCn2cc(Br)ccc2=O)cc1OC ZINC000453239832 564451207 /nfs/dbraw/zinc/45/12/07/564451207.db2.gz BTKIQTJHVAGVQA-LBPRGKRZSA-N 1 0 381.270 2.979 20 0 GFADRO C[C@H](CCCO)C[NH2+][C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000453272155 564452258 /nfs/dbraw/zinc/45/22/58/564452258.db2.gz HRTDAJDHRQTVBK-RISCZKNCSA-N 1 0 376.316 2.666 20 0 GFADRO C[C@@H](CC(C)(C)O)[NH2+][C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000453308213 564453134 /nfs/dbraw/zinc/45/31/34/564453134.db2.gz DGAZPSVJQPQKOB-GXFFZTMASA-N 1 0 376.316 2.807 20 0 GFADRO CCN1C[C@@H]([NH2+][C@H](C)c2ccc(F)c(I)c2)CC1=O ZINC000453366518 564455050 /nfs/dbraw/zinc/45/50/50/564455050.db2.gz RJEXXFCBIVGMPQ-KOLCDFICSA-N 1 0 376.213 2.702 20 0 GFADRO C[C@@H]([NH2+]C[C@H](CO)Cc1cc(Br)ccc1F)C(C)(C)n1cncn1 ZINC000453367326 564455075 /nfs/dbraw/zinc/45/50/75/564455075.db2.gz MCDAVDDRIHPCTQ-CHWSQXEVSA-N 1 0 399.308 2.744 20 0 GFADRO CN(C[C@@H]1CCC[N@H+](Cc2cccc(OC(F)(F)F)c2)C1)S(C)(=O)=O ZINC000514758234 564456567 /nfs/dbraw/zinc/45/65/67/564456567.db2.gz IRCFDGBPNJYJFX-AWEZNQCLSA-N 1 0 380.432 2.689 20 0 GFADRO COc1ccc(Br)cc1C1(C(=O)N[C@@H]2CCc3[nH]cnc3C2)CC1 ZINC000514783260 564457338 /nfs/dbraw/zinc/45/73/38/564457338.db2.gz ROOZVTNMGFCFSS-GFCCVEGCSA-N 1 0 390.281 2.886 20 0 GFADRO Cc1ccc(F)c(Br)c1NC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000453575597 564458308 /nfs/dbraw/zinc/45/83/08/564458308.db2.gz KYELUBKAWPVGNU-CHWSQXEVSA-N 1 0 398.276 2.578 20 0 GFADRO C[N@@H+]1CCN(CCNc2cc(C(F)(F)F)c(Br)cn2)CC1(C)C ZINC000569356358 564459994 /nfs/dbraw/zinc/45/99/94/564459994.db2.gz YJGJTTVJFXRGNI-UHFFFAOYSA-N 1 0 395.267 3.301 20 0 GFADRO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCS(=O)(=O)c3ccc(Br)cc32)CN1C1CC1 ZINC000480204550 564464205 /nfs/dbraw/zinc/46/42/05/564464205.db2.gz YVJWXCNCCSHYID-AXAPSJFSSA-N 1 0 399.354 2.882 20 0 GFADRO CC[N@H+](CCN[C@H]1CCS(=O)(=O)c2ccc(Br)cc21)C(C)C ZINC000480229298 564464525 /nfs/dbraw/zinc/46/45/25/564464525.db2.gz PREKWODQVQLIDY-HNNXBMFYSA-N 1 0 389.359 2.988 20 0 GFADRO C[C@@H](C[NH2+][C@@H]1CCS(=O)(=O)c2ccc(Br)cc21)N(C)C1CC1 ZINC000480220654 564464867 /nfs/dbraw/zinc/46/48/67/564464867.db2.gz RXNXFQYCAWAUPI-XHDPSFHLSA-N 1 0 387.343 2.740 20 0 GFADRO CC[C@H](C)[C@@H](O)C[NH2+][C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000480244715 564466279 /nfs/dbraw/zinc/46/62/79/564466279.db2.gz YORYMCYCKQSZRB-BPNCWPANSA-N 1 0 376.316 2.664 20 0 GFADRO Cc1cc(Cl)cc(NC(=O)C(=O)NCC[NH2+]C(C)(C)C)c1Br ZINC000453705765 564467293 /nfs/dbraw/zinc/46/72/93/564467293.db2.gz IGMKVRUYIURTSJ-UHFFFAOYSA-N 1 0 390.709 2.854 20 0 GFADRO O=C1C[C@H](C[NH2+]Cc2nc(-c3ccc(Br)cc3)c[nH]2)CN1C1CC1 ZINC000515069169 564467481 /nfs/dbraw/zinc/46/74/81/564467481.db2.gz YUWMKCJLMNBIGH-GFCCVEGCSA-N 1 0 389.297 2.940 20 0 GFADRO O=S(=O)(CC[NH2+]C[C@@H]1CCCSC1)c1cccc(Br)c1 ZINC000515054758 564468166 /nfs/dbraw/zinc/46/81/66/564468166.db2.gz GQYDMKBOFFPNOB-LBPRGKRZSA-N 1 0 378.357 2.956 20 0 GFADRO C[C@H](CNS(=O)(=O)c1ccc(Br)cc1)[N@@H+]1CCCC[C@H]1C ZINC000515100111 564469827 /nfs/dbraw/zinc/46/98/27/564469827.db2.gz BCDKDRCLPHJBLJ-CHWSQXEVSA-N 1 0 375.332 2.990 20 0 GFADRO CCc1n[nH]c(C(=O)N[C@@H](C[NH+](C)C)c2ccc(F)cc2)c1Br ZINC000569584768 564470729 /nfs/dbraw/zinc/47/07/29/564470729.db2.gz HVVWHLNPDRSSMI-ZDUSSCGKSA-N 1 0 383.265 2.906 20 0 GFADRO CO[C@@H](C)[C@@H](C)[NH2+][C@@H](C)C(=O)Nc1ccc(I)cc1 ZINC000515173366 564471662 /nfs/dbraw/zinc/47/16/62/564471662.db2.gz ZMXLVGBYXGDBTR-VWYCJHECSA-N 1 0 376.238 2.631 20 0 GFADRO Cc1ccc(F)c(Br)c1NC(=O)NCCN1C[C@H]2CC[C@@H](C1)O2 ZINC000569682115 564474412 /nfs/dbraw/zinc/47/44/12/564474412.db2.gz ZUHMJYCWNKTFTR-TXEJJXNPSA-N 1 0 386.265 2.881 20 0 GFADRO O=c1cc(C[NH2+][C@@H](CCO)C2CCCCC2)nc2ccc(Br)cn12 ZINC000546934028 564474505 /nfs/dbraw/zinc/47/45/05/564474505.db2.gz JRYNCZDPLOBWSS-INIZCTEOSA-N 1 0 394.313 2.878 20 0 GFADRO CCC[N@H+](C)C[C@H]1CCN(S(=O)(=O)Cc2ccccc2Br)C1 ZINC000569703975 564475308 /nfs/dbraw/zinc/47/53/08/564475308.db2.gz FPDOEWMDORCFOL-CQSZACIVSA-N 1 0 389.359 2.943 20 0 GFADRO O=C1[C@H](N2CC[C@@]3(C2)CCC[NH2+]C3)CCN1c1cccc(Br)c1 ZINC000569724104 564475750 /nfs/dbraw/zinc/47/57/50/564475750.db2.gz YIABIOGNMMTAIN-AEFFLSMTSA-N 1 0 378.314 2.630 20 0 GFADRO COc1ccc(Br)c(C(=O)NCCC[NH2+]Cc2cncc(F)c2)c1 ZINC000480491468 564475834 /nfs/dbraw/zinc/47/58/34/564475834.db2.gz JOTARUGUCHFLOQ-UHFFFAOYSA-N 1 0 396.260 2.902 20 0 GFADRO Cc1c(Br)cccc1CC(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000480521830 564476840 /nfs/dbraw/zinc/47/68/40/564476840.db2.gz HUXXPVZVHGGFQB-ZDUSSCGKSA-N 1 0 383.330 2.604 20 0 GFADRO C[NH+](C)CCOc1cc(-c2noc(CSCc3cscn3)n2)ccn1 ZINC000547195616 564479709 /nfs/dbraw/zinc/47/97/09/564479709.db2.gz RIAYJZRQWNBHAX-UHFFFAOYSA-N 1 0 377.495 2.962 20 0 GFADRO C[C@H]([NH2+]C[C@H](C)C(F)(F)F)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000480666207 564481610 /nfs/dbraw/zinc/48/16/10/564481610.db2.gz YWLOEWDDFPTRDS-STQMWFEESA-N 1 0 380.432 2.557 20 0 GFADRO CCC[N@H+](CC)CCNC(=O)C(=O)N(C)Cc1ccc(Br)cc1C ZINC000569880919 564481818 /nfs/dbraw/zinc/48/18/18/564481818.db2.gz SALCISRIZRKVHL-UHFFFAOYSA-N 1 0 398.345 2.564 20 0 GFADRO CC(C)Sc1c(Cl)cccc1NC(=O)C(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000453918314 564481936 /nfs/dbraw/zinc/48/19/36/564481936.db2.gz NWOHGTOBKPBHBL-SWLSCSKDSA-N 1 0 381.929 2.942 20 0 GFADRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]Cc3cnc4ccc(Br)cn34)[C@@H]2C1 ZINC000569883551 564482183 /nfs/dbraw/zinc/48/21/83/564482183.db2.gz QVJVQZBORKSSKK-XKQJLSEDSA-N 1 0 391.313 2.833 20 0 GFADRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)Nc2ccc(I)cc2F)C1 ZINC000515673462 564484584 /nfs/dbraw/zinc/48/45/84/564484584.db2.gz ZPMABWDOYBHUPS-PSASIEDQSA-N 1 0 377.201 2.679 20 0 GFADRO Cn1nccc1[C@H]1C[C@H]([NH2+]Cc2cn3ccc(Br)cc3n2)CCO1 ZINC000515769944 564486669 /nfs/dbraw/zinc/48/66/69/564486669.db2.gz OAOHDTGNOMEVTF-CZUORRHYSA-N 1 0 390.285 2.840 20 0 GFADRO CC[N@H+](C)C[C@H](O)CN1CCC[C@H]1c1ccccc1I ZINC000515864867 564488727 /nfs/dbraw/zinc/48/87/27/564488727.db2.gz PJVDMNVXXBWCLO-BBRMVZONSA-N 1 0 388.293 2.741 20 0 GFADRO [NH3+][C@@H]1CN(S(=O)(=O)Cc2cccc(Br)c2)C[C@H]1c1ccccc1 ZINC000570044675 564489854 /nfs/dbraw/zinc/48/98/54/564489854.db2.gz VNYBWXPRTWZBFL-DLBZAZTESA-N 1 0 395.322 2.706 20 0 GFADRO Cc1ccc(S(=O)(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)cc1Br ZINC000480849166 564490379 /nfs/dbraw/zinc/49/03/79/564490379.db2.gz DEABVQCYUXTMHJ-CJNGLKHVSA-N 1 0 387.343 2.862 20 0 GFADRO COc1cc(Cl)c(S(=O)(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)cc1Cl ZINC000480838564 564490541 /nfs/dbraw/zinc/49/05/41/564490541.db2.gz MZYJIAPIRCZTLA-TVQRCGJNSA-N 1 0 379.309 2.763 20 0 GFADRO C[N@@H+]1CCC[C@@H]2CN(S(=O)(=O)c3ccc(F)c(Br)c3)CC[C@@H]21 ZINC000480844463 564491007 /nfs/dbraw/zinc/49/10/07/564491007.db2.gz OKDAFOYUNHDLNW-ABAIWWIYSA-N 1 0 391.306 2.693 20 0 GFADRO Cc1cc(Br)c(S(=O)(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)s1 ZINC000480851926 564491478 /nfs/dbraw/zinc/49/14/78/564491478.db2.gz GWNROMUGBFVHBO-DGCLKSJQSA-N 1 0 393.372 2.924 20 0 GFADRO C/C(=C/c1ccccc1OC(F)F)C[NH2+]CCS(=O)(=O)NC(C)(C)C ZINC000516119746 564494372 /nfs/dbraw/zinc/49/43/72/564494372.db2.gz SFBWNJSWYXYWRX-QBFSEMIESA-N 1 0 376.469 2.999 20 0 GFADRO Cc1c(Br)cccc1NC(=O)C(=O)NCC[N@@H+]1CCCC1(C)C ZINC000454074275 564496060 /nfs/dbraw/zinc/49/60/60/564496060.db2.gz WGZVGPIZGBKNCD-UHFFFAOYSA-N 1 0 382.302 2.687 20 0 GFADRO C[NH+](C)C1(CNS(=O)(=O)Cc2ccc(Br)cc2)CCCC1 ZINC000480942138 564496604 /nfs/dbraw/zinc/49/66/04/564496604.db2.gz YCYOLWRCAWGPIA-UHFFFAOYSA-N 1 0 375.332 2.743 20 0 GFADRO COC(=O)c1ccc(C[NH2+][C@@H](CCO)C2CCOCC2)c(Br)c1 ZINC000570231289 564496990 /nfs/dbraw/zinc/49/69/90/564496990.db2.gz QNNBBNXHYLRSJK-INIZCTEOSA-N 1 0 386.286 2.503 20 0 GFADRO C[NH+](C)CC1CCN(CC(=O)Nc2c(F)cc(F)cc2Br)CC1 ZINC000480971587 564498246 /nfs/dbraw/zinc/49/82/46/564498246.db2.gz NXTKSAHNDNJYTB-UHFFFAOYSA-N 1 0 390.272 2.939 20 0 GFADRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NS(=O)(=O)c1ccc(C(F)(F)F)cn1 ZINC000480983738 564499199 /nfs/dbraw/zinc/49/91/99/564499199.db2.gz BVSRDYOFDARWPX-UPJWGTAASA-N 1 0 379.448 2.745 20 0 GFADRO O=S(=O)(Cc1ccc(Br)cc1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000481000738 564499981 /nfs/dbraw/zinc/49/99/81/564499981.db2.gz BYXZQBKGBMYVKG-MRXNPFEDSA-N 1 0 387.343 2.839 20 0 GFADRO C[NH+](C)[C@]1(CNS(=O)(=O)c2ccc(CC(F)(F)F)cc2)CCSC1 ZINC000481066647 564502231 /nfs/dbraw/zinc/50/22/31/564502231.db2.gz CILAXCYFXZVEHP-AWEZNQCLSA-N 1 0 382.473 2.507 20 0 GFADRO Cc1cc(F)c(Br)cc1NC[C@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000570390845 564503334 /nfs/dbraw/zinc/50/33/34/564503334.db2.gz QJJPYTHFPIKQHF-XQQFMLRXSA-N 1 0 375.282 2.779 20 0 GFADRO CC(=O)N1CCC[C@H](C[NH2+]CCC(=O)Nc2ccc(Br)cc2)C1 ZINC000570390678 564503882 /nfs/dbraw/zinc/50/38/82/564503882.db2.gz KNMCMVPLABGXPO-CQSZACIVSA-N 1 0 382.302 2.626 20 0 GFADRO Cc1cc(NC(=O)CN[C@H](C)c2ncc(Br)cn2)n(C(C)(C)C)n1 ZINC000516530332 564504148 /nfs/dbraw/zinc/50/41/48/564504148.db2.gz LYJWTRLESZLVJL-LLVKDONJSA-N 1 0 395.305 2.788 20 0 GFADRO Cc1nc(CNC(=O)NCC[N@H+]2CCCC[C@@H]2C)sc1Br ZINC000454273994 564505005 /nfs/dbraw/zinc/50/50/05/564505005.db2.gz JNNMDZKGHOMRAM-JTQLQIEISA-N 1 0 375.336 2.888 20 0 GFADRO CC(=O)N[C@H](C)C1CC[NH+](C[C@@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000481157696 564505280 /nfs/dbraw/zinc/50/52/80/564505280.db2.gz WEKOICJLVUZXDH-MLGOLLRUSA-N 1 0 389.323 2.970 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(S(=O)(=O)Cc3cc(Cl)ccc3Br)C[C@@H]21 ZINC000516765104 564511632 /nfs/dbraw/zinc/51/16/32/564511632.db2.gz UVFHGTVFQNLCMI-YGRLFVJLSA-N 1 0 393.734 2.568 20 0 GFADRO C[C@]1(C[NH3+])CCN(S(=O)(=O)Cc2cc(Cl)ccc2Br)C1 ZINC000570569463 564512563 /nfs/dbraw/zinc/51/25/63/564512563.db2.gz UUEVKEKMDUXZSM-CYBMUJFWSA-N 1 0 381.723 2.603 20 0 GFADRO C[NH+](C)C1(CNC(=O)NCCOc2ccc(Cl)c(Cl)c2)CCOCC1 ZINC000454545425 564513611 /nfs/dbraw/zinc/51/36/11/564513611.db2.gz MXMHXSLQRKJMEZ-UHFFFAOYSA-N 1 0 390.311 2.782 20 0 GFADRO CC(C)[NH2+]CCCNC(=O)N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000570618375 564514409 /nfs/dbraw/zinc/51/44/09/564514409.db2.gz IYVMSORXSMQQNH-CQSZACIVSA-N 1 0 387.311 2.786 20 0 GFADRO CO[C@@H](c1ccccc1Cl)[C@@H](C)[NH2+]CCNS(=O)(=O)c1ccccc1 ZINC000481493041 564514492 /nfs/dbraw/zinc/51/44/92/564514492.db2.gz JBOFFBXRZSTJGM-RDTXWAMCSA-N 1 0 382.913 2.984 20 0 GFADRO O=C(CC[N@@H+]1CCC[C@@H](n2ccnn2)C1)Nc1cccc(Br)c1 ZINC000570627352 564514755 /nfs/dbraw/zinc/51/47/55/564514755.db2.gz WDVCQKLZILZULD-OAHLLOKOSA-N 1 0 378.274 2.706 20 0 GFADRO C[C@H](CNC(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1)Oc1cccc(Br)c1 ZINC000454572507 564515518 /nfs/dbraw/zinc/51/55/18/564515518.db2.gz HIPLBBSSDNLHPT-DVOMOZLQSA-N 1 0 382.302 2.562 20 0 GFADRO C[C@H](NC(=O)N[C@@H]1CCN(c2ccccc2Br)C1)[C@@H]1CCC[NH2+]C1 ZINC000570665951 564516323 /nfs/dbraw/zinc/51/63/23/564516323.db2.gz NZMUGKFVXGIVLD-RRFJBIMHSA-N 1 0 395.345 2.715 20 0 GFADRO CC[NH+](CC)C[C@H](C)NC(=O)NCCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000454628733 564517321 /nfs/dbraw/zinc/51/73/21/564517321.db2.gz IMBRGWQJLJOXGD-AWEZNQCLSA-N 1 0 389.949 2.533 20 0 GFADRO Cc1nc(CNC(=O)NC[C@@H]2CC[N@@H+](CC(C)C)C2)sc1Br ZINC000454658844 564518150 /nfs/dbraw/zinc/51/81/50/564518150.db2.gz HCWVQRKETJPBEK-LBPRGKRZSA-N 1 0 389.363 2.991 20 0 GFADRO NC(=O)[C@@H](Cc1ccc(Cl)cc1)[NH2+]CCCCn1cc(Br)cn1 ZINC000481610552 564518091 /nfs/dbraw/zinc/51/80/91/564518091.db2.gz JPWWXJJQMIPFGM-OAHLLOKOSA-N 1 0 399.720 2.765 20 0 GFADRO O[C@H](C[NH2+]CC1(c2cccc(Br)c2)CC1)COC1CCOCC1 ZINC000516966142 564518735 /nfs/dbraw/zinc/51/87/35/564518735.db2.gz XAAWMAPFFPABKN-MRXNPFEDSA-N 1 0 384.314 2.627 20 0 GFADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@@H]1CCC[C@@H](N2CCCC2=O)C1 ZINC000570816748 564523079 /nfs/dbraw/zinc/52/30/79/564523079.db2.gz VKMRQNRTJOOTMF-FVQBIDKESA-N 1 0 396.329 2.523 20 0 GFADRO CC[C@@H](Cc1ccccc1Br)[N@H+](C)CCC(=O)N(C)CC(=O)OC ZINC000481838154 564525546 /nfs/dbraw/zinc/52/55/46/564525546.db2.gz PRFYKYOIZCYZRG-HNNXBMFYSA-N 1 0 399.329 2.724 20 0 GFADRO CCNC(=O)NC(=O)[C@H](C)[N@H+](C)[C@@H](CC)Cc1ccccc1Br ZINC000481849741 564525762 /nfs/dbraw/zinc/52/57/62/564525762.db2.gz XKVDWTWRQTYJGE-JSGCOSHPSA-N 1 0 384.318 2.936 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(C(=O)N[C@H]3CCOc4c(Br)cccc43)C[C@@H]21 ZINC000454905782 564527507 /nfs/dbraw/zinc/52/75/07/564527507.db2.gz NUQBNMGBOPRVJV-UGFHNGPFSA-N 1 0 380.286 2.618 20 0 GFADRO [NH3+][C@H]1CCC[C@H](CNS(=O)(=O)c2cccc(Br)c2Cl)C1 ZINC000517235404 564528747 /nfs/dbraw/zinc/52/87/47/564528747.db2.gz KJQKDAWXLFAHFI-UWVGGRQHSA-N 1 0 381.723 2.898 20 0 GFADRO O=C(Nc1nnc(SCc2ccccc2)s1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000570935112 564528759 /nfs/dbraw/zinc/52/87/59/564528759.db2.gz JTJGWGTZMMDHNT-OKILXGFUSA-N 1 0 375.523 3.189 20 0 GFADRO Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)NC(=O)c1csc(CC[NH3+])n1 ZINC000517239223 564529040 /nfs/dbraw/zinc/52/90/40/564529040.db2.gz MWFVRSIRFGIWRM-QMMMGPOBSA-N 1 0 375.420 2.511 20 0 GFADRO CSC1(CNC(=O)NCc2cccc(C(F)(F)F)n2)CC[NH+](C)CC1 ZINC000454969849 564529907 /nfs/dbraw/zinc/52/99/07/564529907.db2.gz JGKIDCDYWUTTRA-UHFFFAOYSA-N 1 0 376.448 2.727 20 0 GFADRO COC(=O)c1cc(Br)ccc1NC(=O)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000455021747 564532671 /nfs/dbraw/zinc/53/26/71/564532671.db2.gz PPNYHRKHMGMEAC-PHIMTYICSA-N 1 0 384.274 2.792 20 0 GFADRO C[C@H]1C[C@H]([NH3+])CCN1C(=O)c1ncc(Br)cc1Br ZINC000571042327 564533374 /nfs/dbraw/zinc/53/33/74/564533374.db2.gz YMOZAKTZXAFCKR-IONNQARKSA-N 1 0 377.080 2.558 20 0 GFADRO O=S(=O)(NCC1([NH+]2CCSCC2)CCCCC1)c1cc(F)cc(F)c1 ZINC000482104023 564534195 /nfs/dbraw/zinc/53/41/95/564534195.db2.gz NWWPPVYKTNNPPW-UHFFFAOYSA-N 1 0 390.521 2.995 20 0 GFADRO C[C@H]([NH2+]C[C@@H](O)COCC1CC1)c1ccccc1I ZINC000482112909 564534931 /nfs/dbraw/zinc/53/49/31/564534931.db2.gz HAISSGUBQCYACL-WCQYABFASA-N 1 0 375.250 2.729 20 0 GFADRO COc1ccc(Br)cc1CNC(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000517538513 564535693 /nfs/dbraw/zinc/53/56/93/564535693.db2.gz YLQGMXVRPQPHGG-LSDHHAIUSA-N 1 0 382.302 2.645 20 0 GFADRO O=C(NC[C@@H]1CCC[N@H+]1CCCO)Nc1ccc(Cl)c(OC(F)F)c1 ZINC000455108309 564536932 /nfs/dbraw/zinc/53/69/32/564536932.db2.gz OMBHCQAORLEEER-LBPRGKRZSA-N 1 0 377.819 2.910 20 0 GFADRO Cc1ccc(Br)cc1S(=O)(=O)NCC[N@H+]1CCCC[C@H]1C ZINC000517582797 564537634 /nfs/dbraw/zinc/53/76/34/564537634.db2.gz OEKLWWBSTAMNEB-CYBMUJFWSA-N 1 0 375.332 2.910 20 0 GFADRO O=C(NC[C@@H]1CCCC[N@H+]1CCO)Nc1ccc(Cl)cc1OC(F)F ZINC000455136918 564537855 /nfs/dbraw/zinc/53/78/55/564537855.db2.gz HXUWBXHXXKMDIR-LBPRGKRZSA-N 1 0 377.819 2.910 20 0 GFADRO CC[N@H+]1C[C@@H](C)N(C(=O)c2c(C)nc3ccc(Br)cn32)[C@@H](C)C1 ZINC000571201002 564539980 /nfs/dbraw/zinc/53/99/80/564539980.db2.gz KPURSKGABADLQQ-TXEJJXNPSA-N 1 0 379.302 2.960 20 0 GFADRO CC[N@@H+]1CCC[C@H](CNC(=O)NCc2nc(C)c(Br)s2)C1 ZINC000455226663 564544092 /nfs/dbraw/zinc/54/40/92/564544092.db2.gz GVWVJEXQSOESLM-LLVKDONJSA-N 1 0 375.336 2.745 20 0 GFADRO Cn1c2cc(Br)ccc2nc1C[N@@H+]1CCCC[C@@H]1[C@@H]1CNC(=O)C1 ZINC000548275322 564546507 /nfs/dbraw/zinc/54/65/07/564546507.db2.gz LCMZTSSTDCQFDG-SWLSCSKDSA-N 1 0 391.313 2.826 20 0 GFADRO C[C@@H]([NH2+]CCCN1CCC[C@H]1C(N)=O)c1cc(Cl)ccc1OC(F)F ZINC000482631582 564547294 /nfs/dbraw/zinc/54/72/94/564547294.db2.gz SMEBDRMHJYGKSD-RISCZKNCSA-N 1 0 375.847 2.932 20 0 GFADRO Cc1cc(N2CC[NH+](C[C@H](C)O)CC2)c2cc(Br)cc(F)c2n1 ZINC000548286403 564547590 /nfs/dbraw/zinc/54/75/90/564547590.db2.gz ZQWNHOBHARBYMV-LBPRGKRZSA-N 1 0 382.277 2.948 20 0 GFADRO O=C(CC[NH2+]CCNC(=O)c1cccs1)Nc1cccc(Br)c1 ZINC000571432229 564551231 /nfs/dbraw/zinc/55/12/31/564551231.db2.gz IOUXGHKLEHRCBO-UHFFFAOYSA-N 1 0 396.310 2.859 20 0 GFADRO CC(C)[NH+]1CCN(C(=O)NCCC(=O)Nc2ccc(Br)cc2)CC1 ZINC000518369785 564551272 /nfs/dbraw/zinc/55/12/72/564551272.db2.gz XKBUPVYCSGEDNY-UHFFFAOYSA-N 1 0 397.317 2.513 20 0 GFADRO CC[NH+](CC)C[C@@H](C)NC(=O)N(C)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000482923211 564553781 /nfs/dbraw/zinc/55/37/81/564553781.db2.gz WSJVLFDVTHVREF-IUODEOHRSA-N 1 0 387.933 2.540 20 0 GFADRO CC[N@H+](CCNC(=O)N(C)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21)C(C)C ZINC000482996536 564555081 /nfs/dbraw/zinc/55/50/81/564555081.db2.gz NZQKKGSEIZEYQT-OAHLLOKOSA-N 1 0 387.933 2.540 20 0 GFADRO C[C@@H](NC(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1)c1ccc(Br)cn1 ZINC000518499244 564555324 /nfs/dbraw/zinc/55/53/24/564555324.db2.gz XJOUTRMCUIWNLD-ISTRZQFTSA-N 1 0 389.297 2.960 20 0 GFADRO C[C@]1(C[C@H]2CCC[N@@H+]2Cc2csc(-c3ccsc3)n2)NC(=O)NC1=O ZINC000571567473 564557391 /nfs/dbraw/zinc/55/73/91/564557391.db2.gz MSDDOGCUPGTWKI-CXAGYDPISA-N 1 0 376.507 2.824 20 0 GFADRO CC(C)[N@H+](CCN1C(=O)NC(C)(C)C1=O)Cc1ccc(Br)cc1 ZINC000518601233 564558174 /nfs/dbraw/zinc/55/81/74/564558174.db2.gz COXWJWVUMYMBIC-UHFFFAOYSA-N 1 0 382.302 2.990 20 0 GFADRO O=C(NCCOc1ccc(Br)cc1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000571625355 564559250 /nfs/dbraw/zinc/55/92/50/564559250.db2.gz PEYLBIQOPRNALF-QGZVFWFLSA-N 1 0 382.302 2.613 20 0 GFADRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)CNC(=O)c1ccc(Cl)c(Cl)c1 ZINC000518743399 564560822 /nfs/dbraw/zinc/56/08/22/564560822.db2.gz CRKIWCIOCVNZGV-BLLLJJGKSA-N 1 0 384.307 2.808 20 0 GFADRO CN(CC[NH+]1CCCC1)C(=O)Nc1ccn(-c2ccc(Br)cc2)n1 ZINC000455633884 564561335 /nfs/dbraw/zinc/56/13/35/564561335.db2.gz VTWMTFOWGJMEOP-UHFFFAOYSA-N 1 0 392.301 3.194 20 0 GFADRO C[NH+](C)CC1(NC(=O)Nc2ccn(-c3ccc(Br)cc3)n2)CCC1 ZINC000455641814 564562195 /nfs/dbraw/zinc/56/21/95/564562195.db2.gz LHMICEFPQJQACE-UHFFFAOYSA-N 1 0 392.301 3.241 20 0 GFADRO CC[NH+]1CCN(CCCNC(=O)[C@@H](C)Oc2cc(Cl)cc(Cl)c2)CC1 ZINC000518833385 564564171 /nfs/dbraw/zinc/56/41/71/564564171.db2.gz PWBVDGFESLXWKG-CQSZACIVSA-N 1 0 388.339 2.905 20 0 GFADRO C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000518957625 564565685 /nfs/dbraw/zinc/56/56/85/564565685.db2.gz ODVPIBZJUVBPPU-DGCLKSJQSA-N 1 0 384.307 2.807 20 0 GFADRO O[C@H](C[NH2+][C@@H]1CCN2CCCC[C@@H]12)COc1cc(F)cc(Br)c1 ZINC000518963763 564566884 /nfs/dbraw/zinc/56/68/84/564566884.db2.gz OHRHMGGTZNJJSQ-OIISXLGYSA-N 1 0 387.293 2.544 20 0 GFADRO CCO[C@H](C)c1nc(CC(=O)N2C[C@@H]([NH+]3CCCC3)[C@@H](SC)C2)cs1 ZINC000483410568 564567126 /nfs/dbraw/zinc/56/71/26/564567126.db2.gz QYPMCSVLZJFJQM-BMFZPTHFSA-N 1 0 383.583 2.821 20 0 GFADRO COc1cc(I)ccc1NC(=O)NCC[N@H+](C)C(C)C ZINC000455742212 564567908 /nfs/dbraw/zinc/56/79/08/564567908.db2.gz YHTVOUFKRVDHGY-UHFFFAOYSA-N 1 0 391.253 2.762 20 0 GFADRO CC(C)[N@H+](C)C[C@H](C)NS(=O)(=O)c1cc(F)c(Br)cc1F ZINC000571927630 564572693 /nfs/dbraw/zinc/57/26/93/564572693.db2.gz IKANRGGUKBLESO-VIFPVBQESA-N 1 0 385.274 2.734 20 0 GFADRO Cc1nc2cc(Cl)c(NC(=O)C(=O)N3CCC([NH+](C)C)CC3)cc2s1 ZINC000483689397 564572737 /nfs/dbraw/zinc/57/27/37/564572737.db2.gz FEEHKOXFEZITOX-UHFFFAOYSA-N 1 0 380.901 2.749 20 0 GFADRO CC[C@H](C)[C@H](C[NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1)OC ZINC000519387522 564576121 /nfs/dbraw/zinc/57/61/21/564576121.db2.gz JYONYCVVCYTVTO-PEYYIBSZSA-N 1 0 378.282 2.979 20 0 GFADRO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)Nc1cc(N(C)C)c(Br)cn1 ZINC000455867035 564576640 /nfs/dbraw/zinc/57/66/40/564576640.db2.gz ONKJJXOUNLUPAK-AWEZNQCLSA-N 1 0 384.322 2.714 20 0 GFADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)CCOc1ccc(Cl)c(Cl)c1 ZINC000519434176 564577875 /nfs/dbraw/zinc/57/78/75/564577875.db2.gz RDCIXMPFSCEUKO-CYBMUJFWSA-N 1 0 375.296 2.989 20 0 GFADRO O=C(NCCn1cc(Br)cn1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000519444411 564577955 /nfs/dbraw/zinc/57/79/55/564577955.db2.gz CUDSHTYGHZHLQL-INIZCTEOSA-N 1 0 391.313 2.674 20 0 GFADRO CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1([NH3+])C(=O)NCCNc1cccc(Br)c1 ZINC000519541472 564580641 /nfs/dbraw/zinc/58/06/41/564580641.db2.gz FJDAEQIWUFGQOT-HDMKZQKVSA-N 1 0 396.329 2.510 20 0 GFADRO C[C@H](NC(=O)NC[C@@H](c1cccs1)[NH+](C)C)c1ncc(Br)cn1 ZINC000572096571 564580810 /nfs/dbraw/zinc/58/08/10/564580810.db2.gz HRQZNWJQEXHBCM-JQWIXIFHSA-N 1 0 398.330 2.964 20 0 GFADRO [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)NCc1cccc(Cl)c1Cl ZINC000519604454 564583449 /nfs/dbraw/zinc/58/34/49/564583449.db2.gz DGZCUEWYAXJSRV-CYBMUJFWSA-N 1 0 387.311 2.523 20 0 GFADRO Cc1ccc(OCCC(=O)Nc2ccnn2CC[NH+](C)C)c(Br)c1 ZINC000572196114 564584388 /nfs/dbraw/zinc/58/43/88/564584388.db2.gz KCFKILBYJMAMFM-UHFFFAOYSA-N 1 0 395.301 2.923 20 0 GFADRO CCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[N@H+](C)[C@@H](C(C)C)C1 ZINC000549089878 564586495 /nfs/dbraw/zinc/58/64/95/564586495.db2.gz TZMDPVYTTJENLQ-CQSZACIVSA-N 1 0 381.322 2.832 20 0 GFADRO COCc1cc(Cl)cc(S(=O)(=O)N2CCc3ccccc3[C@@H]2C[NH3+])c1 ZINC000572285068 564587932 /nfs/dbraw/zinc/58/79/32/564587932.db2.gz UBURRCDQQXSTRJ-SFHVURJKSA-N 1 0 380.897 2.733 20 0 GFADRO [NH3+]CC[C@H](NC(=O)c1cc(I)ccc1Cl)C(F)F ZINC000519826165 564592034 /nfs/dbraw/zinc/59/20/34/564592034.db2.gz OYQGOJBQRXOIDH-VIFPVBQESA-N 1 0 388.583 2.657 20 0 GFADRO CCO[C@@H]1COCC[C@@H]1[NH2+]CC(=O)N(C)Cc1cc(Cl)cc(Cl)c1 ZINC000484616301 564593013 /nfs/dbraw/zinc/59/30/13/564593013.db2.gz MRUNXUQZABGBRD-JKSUJKDBSA-N 1 0 375.296 2.735 20 0 GFADRO CS[C@H]1CN(CC(=O)NCCc2ccc(Cl)cc2)C[C@@H]1[NH+]1CCCC1 ZINC000484643059 564593713 /nfs/dbraw/zinc/59/37/13/564593713.db2.gz KSUZDLXDPKHVQJ-ROUUACIJSA-N 1 0 381.973 2.510 20 0 GFADRO O=C(Nc1cccc(Br)c1)C(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000484683295 564594588 /nfs/dbraw/zinc/59/45/88/564594588.db2.gz VBMRTNMWIWMFLD-UHFFFAOYSA-N 1 0 394.313 2.865 20 0 GFADRO C[C@@H](CNC(=O)N1CC[C@H](C[NH+](C)C)C1)Oc1ccc(Br)cc1 ZINC000484713117 564595599 /nfs/dbraw/zinc/59/55/99/564595599.db2.gz XBMASZUNVXGNRA-UONOGXRCSA-N 1 0 384.318 2.810 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)N1CCC(C[NH+](C)C)CC1 ZINC000519975145 564595989 /nfs/dbraw/zinc/59/59/89/564595989.db2.gz CPAGNECAFWECRB-UHFFFAOYSA-N 1 0 396.329 2.805 20 0 GFADRO O=C(NC[C@H]1CCC[NH2+]1)N1CCC(Nc2cccc(Br)c2)CC1 ZINC000572500207 564597622 /nfs/dbraw/zinc/59/76/22/564597622.db2.gz LWWNQQFVJZIHRA-MRXNPFEDSA-N 1 0 381.318 2.787 20 0 GFADRO COc1ccc(Br)cc1C(=O)CCC(=O)N[C@@H]1[C@H](C)CC[NH2+][C@@H]1C ZINC000572525983 564599243 /nfs/dbraw/zinc/59/92/43/564599243.db2.gz XBCGJFLKTIEGJE-SEDUGSJDSA-N 1 0 397.313 2.923 20 0 GFADRO O=C(NCC[NH+]1CCCCC1)C(=O)Nc1cccc(Br)c1Cl ZINC000549612372 564600258 /nfs/dbraw/zinc/60/02/58/564600258.db2.gz ZFKICUZUBLTZNW-UHFFFAOYSA-N 1 0 388.693 2.643 20 0 GFADRO O=C(NC[C@@H]1C[NH2+]CCCO1)N1CCC[C@H]1c1ccc(Br)s1 ZINC000572586741 564600939 /nfs/dbraw/zinc/60/09/39/564600939.db2.gz MFHQHTOWDMYICY-RYUDHWBXSA-N 1 0 388.331 2.736 20 0 GFADRO Brc1ccn2cc(C[NH2+][C@H]3CCCC[C@H]3N3CCOCC3)nc2c1 ZINC000520343952 564601941 /nfs/dbraw/zinc/60/19/41/564601941.db2.gz OLDKPNGRVCIXEP-DLBZAZTESA-N 1 0 393.329 2.830 20 0 GFADRO CN(C)CC[N@H+](C)CCCNC(=O)[C@H]1C[C@H]1c1ccc(Br)cc1 ZINC000572642591 564603588 /nfs/dbraw/zinc/60/35/88/564603588.db2.gz MDEVMBGYRVUETN-IRXDYDNUSA-N 1 0 382.346 2.552 20 0 GFADRO C[C@@H]1C[N@H+](C)CCN1c1ccc(Br)cc1NC(=O)C[C@@H]1CCOC1 ZINC000456367107 564603574 /nfs/dbraw/zinc/60/35/74/564603574.db2.gz JIKVZOWQGPBFNK-KGLIPLIRSA-N 1 0 396.329 2.955 20 0 GFADRO C[C@H]1C[N@H+](C)CCN1c1ccc(Br)cc1NC(=O)[C@@H]1CCCN1C ZINC000456371798 564603599 /nfs/dbraw/zinc/60/35/99/564603599.db2.gz NEQJZTKYAAWSPC-GUYCJALGSA-N 1 0 395.345 2.622 20 0 GFADRO C[C@](C[NH3+])(NC(=O)Nc1ccc(I)cc1F)C1CC1 ZINC000520430765 564604313 /nfs/dbraw/zinc/60/43/13/564604313.db2.gz LPXFNUUXJUJVPH-CYBMUJFWSA-N 1 0 377.201 2.679 20 0 GFADRO O=C(Nc1c(F)cccc1Br)C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000485014228 564604948 /nfs/dbraw/zinc/60/49/48/564604948.db2.gz FGDAPUBFAQFMIQ-UHFFFAOYSA-N 1 0 398.276 2.660 20 0 GFADRO OCC[N@@H+](Cc1ccc(Br)s1)C[C@@H](O)COc1ccccc1 ZINC000485111887 564606729 /nfs/dbraw/zinc/60/67/29/564606729.db2.gz CKYQFUHLAGNGLH-CYBMUJFWSA-N 1 0 386.311 2.745 20 0 GFADRO O[C@H](C[NH2+]CCc1cn2c(n1)SCC2)COc1cc(Cl)ccc1Cl ZINC000572752829 564608868 /nfs/dbraw/zinc/60/88/68/564608868.db2.gz KFWPDNMKZKXQLI-CYBMUJFWSA-N 1 0 388.320 2.868 20 0 GFADRO CN1CCN(c2cc[nH+]cc2NC(=O)c2cc(Br)cs2)CC1 ZINC000520638917 564609252 /nfs/dbraw/zinc/60/92/52/564609252.db2.gz GQCRSDRDGVZAHS-UHFFFAOYSA-N 1 0 381.299 2.910 20 0 GFADRO CC(C)[NH+]1CCN([C@H]2CCN(C(=O)c3cccc(Br)c3F)C2)CC1 ZINC000520682952 564610380 /nfs/dbraw/zinc/61/03/80/564610380.db2.gz AUBMHHOVIMJULM-AWEZNQCLSA-N 1 0 398.320 2.829 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3[nH]nc(-c4ccccc4)c3Br)C[C@@H]21 ZINC000572831879 564611698 /nfs/dbraw/zinc/61/16/98/564611698.db2.gz UKOYMQWGHOQRQU-OLZOCXBDSA-N 1 0 375.270 2.615 20 0 GFADRO CC(C)COC[C@@H](O)C[NH2+][C@@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000520799007 564613910 /nfs/dbraw/zinc/61/39/10/564613910.db2.gz DFSPEOLNODEQEP-DZGCQCFKSA-N 1 0 375.296 2.722 20 0 GFADRO COCC1(C(=O)Nc2ccc(CN(C)C)c(Br)c2)CCOCC1 ZINC000572895110 564614611 /nfs/dbraw/zinc/61/46/11/564614611.db2.gz GJBBLJDJKSXHDO-UHFFFAOYSA-N 1 0 385.302 2.892 20 0 GFADRO COc1nc(C)c(Br)cc1C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000485452341 564615319 /nfs/dbraw/zinc/61/53/19/564615319.db2.gz CQUILLBHEYKHRC-CYBMUJFWSA-N 1 0 382.302 2.862 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1cc(Cl)ccc1Br ZINC000485445672 564615753 /nfs/dbraw/zinc/61/57/53/564615753.db2.gz YVVAWUAGOHWDRX-LLVKDONJSA-N 1 0 381.723 2.865 20 0 GFADRO C[C@H](CNC(=O)NCCOc1ccc(Br)cc1)C[NH+]1CCCC1 ZINC000521015903 564617503 /nfs/dbraw/zinc/61/75/03/564617503.db2.gz QBFRSKOIWCBXPY-CQSZACIVSA-N 1 0 384.318 2.859 20 0 GFADRO Cc1c(Br)cc(C[NH2+][C@]2(CO)CCOC2)cc1Br ZINC000521011020 564617508 /nfs/dbraw/zinc/61/75/08/564617508.db2.gz CDEFRZXKVKECSQ-ZDUSSCGKSA-N 1 0 379.092 2.761 20 0 GFADRO C[C@H]([NH3+])C[C@H](C)NC(=O)NCc1cc(Cl)cc(I)c1 ZINC000521039610 564617891 /nfs/dbraw/zinc/61/78/91/564617891.db2.gz GNDFFVWQAAXMOU-IUCAKERBSA-N 1 0 395.672 2.870 20 0 GFADRO C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)NCc3ccc(Cl)cc3Cl)CC[C@H]21 ZINC000550290471 564619396 /nfs/dbraw/zinc/61/93/96/564619396.db2.gz JHXANVLUPPWALA-XJKSGUPXSA-N 1 0 384.307 2.552 20 0 GFADRO C[NH+](C)CCC1CCN(C(=O)C(=O)NCc2ccc(Cl)cc2Cl)CC1 ZINC000550303050 564619817 /nfs/dbraw/zinc/61/98/17/564619817.db2.gz LBIMBYWXRFTNQN-UHFFFAOYSA-N 1 0 386.323 2.800 20 0 GFADRO O=C(NCC[NH+]1CCC(O)CC1)c1cc(Br)cc2ccccc21 ZINC000456591543 564619910 /nfs/dbraw/zinc/61/99/10/564619910.db2.gz VRYRANMLTWDZND-UHFFFAOYSA-N 1 0 377.282 2.789 20 0 GFADRO CC[NH+](CC)CCNC(=O)C(=O)NCc1sc2ccc(Cl)cc2c1C ZINC000550329696 564620958 /nfs/dbraw/zinc/62/09/58/564620958.db2.gz HBBQSIUKMZJTDN-UHFFFAOYSA-N 1 0 381.929 2.937 20 0 GFADRO CC[C@@H](NC(=O)[C@H]1C[N@@H+]2CCN1CCC2)c1cc(F)cc(Br)c1 ZINC000485667500 564622908 /nfs/dbraw/zinc/62/29/08/564622908.db2.gz GLBFVJCYINIAJX-HZPDHXFCSA-N 1 0 384.293 2.545 20 0 GFADRO C[C@@H](Cc1ccc(Br)cc1)NC(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000485793759 564626150 /nfs/dbraw/zinc/62/61/50/564626150.db2.gz XLVGIEFMPQYCPL-WCQYABFASA-N 1 0 377.286 2.610 20 0 GFADRO COc1ncccc1CC[NH2+]C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000521427455 564626454 /nfs/dbraw/zinc/62/64/54/564626454.db2.gz DCWUVGHGTFPTBW-HNNXBMFYSA-N 1 0 399.260 2.564 20 0 GFADRO CS[C@@H]1CN(Cc2nc3ccc(Br)cc3n2C)C[C@H]1[NH+](C)C ZINC000485835815 564626982 /nfs/dbraw/zinc/62/69/82/564626982.db2.gz ZVWWQPAIKDWEGI-HUUCEWRRSA-N 1 0 383.359 2.813 20 0 GFADRO [NH3+]C[C@H]1CN(S(=O)(=O)c2c(Cl)cc(F)cc2Cl)CC12CCOCC2 ZINC000573206206 564628432 /nfs/dbraw/zinc/62/84/32/564628432.db2.gz ZXZXQMFBFWREEZ-JTQLQIEISA-N 1 0 397.299 2.509 20 0 GFADRO COCCN(CC[NH+](C)C)C(=O)CCCc1ccc(Br)s1 ZINC000521484340 564628732 /nfs/dbraw/zinc/62/87/32/564628732.db2.gz VIUWEAUYSFXZKK-UHFFFAOYSA-N 1 0 377.348 2.870 20 0 GFADRO O=C(NCc1c(Cl)cccc1Cl)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000550726263 564629664 /nfs/dbraw/zinc/62/96/64/564629664.db2.gz CMMVZRGTJZUSLN-CYBMUJFWSA-N 1 0 384.307 2.554 20 0 GFADRO CS(=O)(=O)CC1CCC([NH2+][C@H](CO)c2ccc(C(F)(F)F)cc2)CC1 ZINC000550700675 564629859 /nfs/dbraw/zinc/62/98/59/564629859.db2.gz LEBSDYFTRVHDJU-VDSRIPIWSA-N 1 0 379.444 2.932 20 0 GFADRO C[C@@H]1C[C@H](N(C)C(=O)[C@@H]2CC(=O)Nc3ccc(Br)cc32)CC[N@@H+]1C ZINC000485932255 564631840 /nfs/dbraw/zinc/63/18/40/564631840.db2.gz YJFCDYKVRCKKMU-UXIGCNINSA-N 1 0 394.313 2.816 20 0 GFADRO O=S(=O)(N[C@@H]1C[NH2+]C[C@H]1c1ccccc1)c1cc(Br)ccc1F ZINC000573310797 564632883 /nfs/dbraw/zinc/63/28/83/564632883.db2.gz WKJHNBPRAMFUFY-DZGCQCFKSA-N 1 0 399.285 2.622 20 0 GFADRO Cc1nc2ccccc2n1CC[NH2+][C@H](C)Cn1cc(Br)ccc1=O ZINC000521651190 564633040 /nfs/dbraw/zinc/63/30/40/564633040.db2.gz WBRSNOTXAXYHEB-CYBMUJFWSA-N 1 0 389.297 2.947 20 0 GFADRO CC(=O)NCCN(Cc1ccc(Cl)cc1Cl)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC000521642844 564633245 /nfs/dbraw/zinc/63/32/45/564633245.db2.gz TVCCNUIPNQBLKF-CYBMUJFWSA-N 1 0 386.323 2.800 20 0 GFADRO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000550902664 564633994 /nfs/dbraw/zinc/63/39/94/564633994.db2.gz UXYMNQDIVFTQEE-ZDUSSCGKSA-N 1 0 384.307 2.552 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)c2ccn(-c3ccc(Br)cc3)n2)CC[N@@H+]1C ZINC000551094513 564637279 /nfs/dbraw/zinc/63/72/79/564637279.db2.gz YTWWHHKBLAKCJH-TZMCWYRMSA-N 1 0 377.286 2.847 20 0 GFADRO CC(C)[NH2+]CCCNC(=O)[C@H](c1ccc(Cl)cc1Cl)N1CCOCC1 ZINC000573485963 564640115 /nfs/dbraw/zinc/64/01/15/564640115.db2.gz SDATUQVPXSAESO-KRWDZBQOSA-N 1 0 388.339 2.871 20 0 GFADRO C[C@@H]1CN(C(=O)c2ccc(F)c(Br)c2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000486145394 564641079 /nfs/dbraw/zinc/64/10/79/564641079.db2.gz BXONZZLCUNZNMC-DYVFJYSZSA-N 1 0 398.320 2.686 20 0 GFADRO CNC(=O)COc1cccc(C[NH2+][C@@H](C)c2cncc(Br)c2)c1 ZINC000522013450 564641430 /nfs/dbraw/zinc/64/14/30/564641430.db2.gz DIEOWZNNIGXKON-LBPRGKRZSA-N 1 0 378.270 2.820 20 0 GFADRO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)Nc1ccnn1Cc1cccc(Br)c1 ZINC000486186418 564642539 /nfs/dbraw/zinc/64/25/39/564642539.db2.gz BDMUFFJAPQIWMN-DOMZBBRYSA-N 1 0 377.286 2.830 20 0 GFADRO CC(C)[NH+]1CCC(N2CCN(C(=O)COc3ccsc3Cl)CC2)CC1 ZINC000551298871 564645313 /nfs/dbraw/zinc/64/53/13/564645313.db2.gz METNGKLZLIWKMF-UHFFFAOYSA-N 1 0 385.961 2.797 20 0 GFADRO NC(=O)C1CCC([NH2+]Cc2cnn(-c3ccc(Br)cc3)c2)CC1 ZINC000522213917 564647206 /nfs/dbraw/zinc/64/72/06/564647206.db2.gz NHERHSZRUVRBEH-UHFFFAOYSA-N 1 0 377.286 2.769 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)c1ncc(Br)cc1Br ZINC000573676166 564648647 /nfs/dbraw/zinc/64/86/47/564648647.db2.gz CEIINRYWCQPKOG-KCJUWKMLSA-N 1 0 391.107 2.949 20 0 GFADRO C[N@H+](CCCCNC(=O)c1ccc(Br)cc1-n1cncn1)C1CC1 ZINC000457159777 564650145 /nfs/dbraw/zinc/65/01/45/564650145.db2.gz AHWQOVRXYVCGLG-UHFFFAOYSA-N 1 0 392.301 2.634 20 0 GFADRO CC[NH+](CC)C[C@H](C)NC(=O)NCCC(=O)Nc1ccc(Br)cc1 ZINC000522404505 564650994 /nfs/dbraw/zinc/65/09/94/564650994.db2.gz SMIQZMQGIQYTPK-ZDUSSCGKSA-N 1 0 399.333 2.807 20 0 GFADRO O=C(CC[NH2+]CCn1cc(Br)ccc1=O)Nc1ccc(Cl)cc1 ZINC000573712831 564650944 /nfs/dbraw/zinc/65/09/44/564650944.db2.gz BFPMIDUMWLPRPD-UHFFFAOYSA-N 1 0 398.688 2.883 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)NC(C)(C)C[NH+](C)C ZINC000457213890 564652116 /nfs/dbraw/zinc/65/21/16/564652116.db2.gz VQABQAZYHUXOJS-CQSZACIVSA-N 1 0 386.583 2.807 20 0 GFADRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)c2nn(C)cc2Br)CC1 ZINC000486472903 564652935 /nfs/dbraw/zinc/65/29/35/564652935.db2.gz MICLHHLBHRGEIZ-GFCCVEGCSA-N 1 0 392.301 2.533 20 0 GFADRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)COc2ccsc2Cl)CC1 ZINC000551519245 564653758 /nfs/dbraw/zinc/65/37/58/564653758.db2.gz BTQUHOMBSKSPMC-GJZGRUSLSA-N 1 0 385.961 2.797 20 0 GFADRO C[C@@H]1[C@H]([NH3+])CCCN1C(=O)[C@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 ZINC000457357934 564658650 /nfs/dbraw/zinc/65/86/50/564658650.db2.gz LLFIIRQVAKYIDQ-HFBAOOFYSA-N 1 0 384.307 2.936 20 0 GFADRO CCC(O)(CC)CC[NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000573913778 564659609 /nfs/dbraw/zinc/65/96/09/564659609.db2.gz MHYBYDWRZSGOMK-CQSZACIVSA-N 1 0 378.282 2.859 20 0 GFADRO C[C@@H]1C[C@@H]1[N@@H+]1CCN(C(=O)C(=O)Nc2ccc(Br)cc2)C[C@@H](C)C1 ZINC000551693495 564660690 /nfs/dbraw/zinc/66/06/90/564660690.db2.gz WWYKUZFCTXVHGH-ZENOOKHLSA-N 1 0 394.313 2.576 20 0 GFADRO O=C(NC[C@H]1CCC[NH2+]1)Nc1cc(Br)cc(C(=O)N2CCCC2)c1 ZINC000573938042 564660970 /nfs/dbraw/zinc/66/09/70/564660970.db2.gz IRXDVLXSLOTCKF-CQSZACIVSA-N 1 0 395.301 2.559 20 0 GFADRO COC(=O)c1ccc(C[NH2+]CCCN2CCCCC2=O)c(Br)c1 ZINC000551787371 564663114 /nfs/dbraw/zinc/66/31/14/564663114.db2.gz PPKQITLEYXAFFB-UHFFFAOYSA-N 1 0 383.286 2.728 20 0 GFADRO C[C@H](NC(=O)c1ccccc1OCC[NH+](C)C)c1ncc(Br)cn1 ZINC000486761468 564665593 /nfs/dbraw/zinc/66/55/93/564665593.db2.gz VKRBQDZQBLDFPM-LBPRGKRZSA-N 1 0 393.285 2.671 20 0 GFADRO C[C@H]1CN(CCNC(=O)CCSc2ccc(Br)cc2)CCO1 ZINC000523441052 564667168 /nfs/dbraw/zinc/66/71/68/564667168.db2.gz XRJOMWWTDDDWNS-ZDUSSCGKSA-N 1 0 387.343 2.768 20 0 GFADRO O=C(Nc1ccc(SCC[NH+]2CCCCC2)cc1)[C@@H]1CCCS1(=O)=O ZINC000574098440 564668222 /nfs/dbraw/zinc/66/82/22/564668222.db2.gz OYKMXSFXTKVETK-KRWDZBQOSA-N 1 0 382.551 2.780 20 0 GFADRO CNS(=O)(=O)CCC[N@H+](Cc1cc(Br)ccc1F)C(C)C ZINC000523857469 564673319 /nfs/dbraw/zinc/67/33/19/564673319.db2.gz SIGCMPLGRRDTEU-UHFFFAOYSA-N 1 0 381.311 2.738 20 0 GFADRO O=C(C[NH2+][C@@H](CCO)c1ccc(Cl)c(Cl)c1)NC(=O)NC1CCCC1 ZINC000552006542 564673354 /nfs/dbraw/zinc/67/33/54/564673354.db2.gz QBVQTPDQDTWHCD-HNNXBMFYSA-N 1 0 388.295 2.775 20 0 GFADRO CCO[C@@H]1C[C@]([NH3+])(C(=O)NCCNc2cccc(Br)c2)C1(C)C ZINC000574450657 564674026 /nfs/dbraw/zinc/67/40/26/564674026.db2.gz VNCWUNSHSVKWCN-PBHICJAKSA-N 1 0 384.318 2.510 20 0 GFADRO CC(C)O[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCN(S(=O)(=O)c3cccs3)C2)C1(C)C ZINC000552088565 564676174 /nfs/dbraw/zinc/67/61/74/564676174.db2.gz MEXLJVQSFKKSCN-ARFHVFGLSA-N 1 0 386.583 2.940 20 0 GFADRO Cn1nncc1C(=O)N(CC[NH+]1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC000524071549 564676146 /nfs/dbraw/zinc/67/61/46/564676146.db2.gz IXNOSOJFHAJPGN-UHFFFAOYSA-N 1 0 382.295 2.860 20 0 GFADRO Cc1c(Br)cccc1S(=O)(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000487118849 564676696 /nfs/dbraw/zinc/67/66/96/564676696.db2.gz MNHFDOWSVJHMBH-OLZOCXBDSA-N 1 0 375.332 2.909 20 0 GFADRO Cc1ccc(S(=O)(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)cc1Br ZINC000487136080 564677244 /nfs/dbraw/zinc/67/72/44/564677244.db2.gz JQZHRKSUGCHHPF-STQMWFEESA-N 1 0 375.332 2.909 20 0 GFADRO COCC[N@@H+]1CC[C@@H](NC(=O)NC(C)(C)Cc2ccc(Br)cc2)C1 ZINC000524138092 564677399 /nfs/dbraw/zinc/67/73/99/564677399.db2.gz XRCFLWWPTSKRDH-MRXNPFEDSA-N 1 0 398.345 2.790 20 0 GFADRO Cc1cc(CC[NH2+][C@H](C)c2cc(S(N)(=O)=O)c(Cl)cc2Cl)on1 ZINC000552099975 564677735 /nfs/dbraw/zinc/67/77/35/564677735.db2.gz YZXXKWUNVGCXLQ-SECBINFHSA-N 1 0 378.281 2.831 20 0 GFADRO Cc1ccc(Br)c(C)c1C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000552170397 564679950 /nfs/dbraw/zinc/67/99/50/564679950.db2.gz FJXJVTAQXVPWQH-UHFFFAOYSA-N 1 0 382.346 2.822 20 0 GFADRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)NCCOc3cccc(Br)c3)C2)C1 ZINC000457959642 564681444 /nfs/dbraw/zinc/68/14/44/564681444.db2.gz XDMDDWQKIJYGJP-GOSISDBHSA-N 1 0 396.329 2.955 20 0 GFADRO COCC[NH+]1CCC(NC(=O)NCc2ccc(Br)c(C)c2)CC1 ZINC000457990338 564682270 /nfs/dbraw/zinc/68/22/70/564682270.db2.gz SJOFDALLEDYYFP-UHFFFAOYSA-N 1 0 384.318 2.668 20 0 GFADRO CCOc1ccc(S(=O)(=O)NCc2ccc(C[NH3+])cc2)cc1Br ZINC000574637378 564682348 /nfs/dbraw/zinc/68/23/48/564682348.db2.gz KLABCIINDAUXNA-UHFFFAOYSA-N 1 0 399.310 2.785 20 0 GFADRO CC[C@H]([NH2+]C[C@H]1CCN(S(C)(=O)=O)C1)c1ccc(OC(F)(F)F)cc1 ZINC000552276514 564684504 /nfs/dbraw/zinc/68/45/04/564684504.db2.gz ZRUYWRWEWRXTBO-DOMZBBRYSA-N 1 0 380.432 2.907 20 0 GFADRO C[C@H](C[NH+]1CCCCC1)NC(=O)N(CCO)Cc1cccc(Br)c1 ZINC000487394248 564685898 /nfs/dbraw/zinc/68/58/98/564685898.db2.gz JXCRDKFQLVQTRT-OAHLLOKOSA-N 1 0 398.345 2.827 20 0 GFADRO C[N@@H+]1CCC[C@@]2(CCN(Cc3cn(-c4ccccc4Br)nn3)C2)C1 ZINC000552357556 564687029 /nfs/dbraw/zinc/68/70/29/564687029.db2.gz GEFCELKJFVLVTN-GOSISDBHSA-N 1 0 390.329 2.948 20 0 GFADRO CN1C(=O)C[C@@H](C(=O)NC[C@H]2CCC[N@@H+]2C)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000574738001 564687431 /nfs/dbraw/zinc/68/74/31/564687431.db2.gz ZCAHZAHSIGUKOP-PBFPGSCMSA-N 1 0 384.307 2.723 20 0 GFADRO O=C(CC[NH2+]Cc1cccc(I)c1)Nc1ccccn1 ZINC000574931890 564688854 /nfs/dbraw/zinc/68/88/54/564688854.db2.gz PXHGJDUWZBNHRV-UHFFFAOYSA-N 1 0 381.217 2.805 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2ccc(Br)cc2)C[C@H]1C ZINC000524869978 564688939 /nfs/dbraw/zinc/68/89/39/564688939.db2.gz HRSLPGJUJSPFPZ-OCCSQVGLSA-N 1 0 375.332 2.942 20 0 GFADRO COc1cc(C[N@@H+]2CCC[C@@]3(CCSC3)C2)cc(Cl)c1OCC(N)=O ZINC000575131303 564692609 /nfs/dbraw/zinc/69/26/09/564692609.db2.gz KLMUFDPWFWKGDA-GOSISDBHSA-N 1 0 384.929 2.932 20 0 GFADRO COCCN(Cc1cc(Br)cs1)C(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC000487633652 564693123 /nfs/dbraw/zinc/69/31/23/564693123.db2.gz LRZYWPUGXMFZNA-RISCZKNCSA-N 1 0 375.332 2.683 20 0 GFADRO C[N@@H+]1CCC[C@H](CCNC(=O)c2ccc(F)c(I)c2)C1 ZINC000458238123 564695274 /nfs/dbraw/zinc/69/52/74/564695274.db2.gz ZPTXEWQOXGPRPD-LLVKDONJSA-N 1 0 390.240 2.892 20 0 GFADRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NCc1cn(-c2ccccc2Br)nn1 ZINC000552561923 564695354 /nfs/dbraw/zinc/69/53/54/564695354.db2.gz IPPXHCHQDUNDDE-BLLLJJGKSA-N 1 0 376.302 2.602 20 0 GFADRO O=C(N[C@@H]1CCc2c1cccc2Br)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000458241973 564695631 /nfs/dbraw/zinc/69/56/31/564695631.db2.gz ASOGMJXRVXCKEQ-CXAGYDPISA-N 1 0 396.329 2.582 20 0 GFADRO C[C@@H]1CC[N@H+](CCNC(=O)CSc2nnc(-c3ccc(Cl)cc3)o2)C1 ZINC000525291999 564698452 /nfs/dbraw/zinc/69/84/52/564698452.db2.gz PQSSBFSGKHYQNO-GFCCVEGCSA-N 1 0 380.901 2.940 20 0 GFADRO CC(C)C[C@H](C[NH+](C)C)NC(=O)NCC(=O)Nc1cccc(Br)c1 ZINC000487902232 564698796 /nfs/dbraw/zinc/69/87/96/564698796.db2.gz XVCFFYHVBVMJFU-OAHLLOKOSA-N 1 0 399.333 2.663 20 0 GFADRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)NCC(=O)Nc2cccc(Br)c2)C1 ZINC000487901101 564699334 /nfs/dbraw/zinc/69/93/34/564699334.db2.gz UPHUSCRCONGYDM-GJZGRUSLSA-N 1 0 397.317 2.560 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)N1CCC[C@@H]1c1ccc(Br)cn1 ZINC000458416267 564700610 /nfs/dbraw/zinc/70/06/10/564700610.db2.gz OYNRLNQCNRFOBZ-CZUORRHYSA-N 1 0 379.302 2.927 20 0 GFADRO CN(CC[N@H+](C)C1CC1)C(=O)C(=O)N[C@@H]1CCSc2ccc(Cl)cc21 ZINC000552819811 564701478 /nfs/dbraw/zinc/70/14/78/564701478.db2.gz OUYKIKCPZRFTJQ-OAHLLOKOSA-N 1 0 381.929 2.546 20 0 GFADRO O=C(CC[NH2+]CCCN1CCCCC1=O)Nc1ccc(Br)cc1 ZINC000575741564 564701777 /nfs/dbraw/zinc/70/17/77/564701777.db2.gz NTOBDZPXCMFKRX-UHFFFAOYSA-N 1 0 382.302 2.770 20 0 GFADRO CC[S@](=O)[C@@H]1CCC[C@H](NC(=O)N(CC[NH+](C)C)Cc2ccsc2)C1 ZINC000458479604 564703678 /nfs/dbraw/zinc/70/36/78/564703678.db2.gz BOFKAMPVNREWTA-QLODZENZSA-N 1 0 385.599 2.901 20 0 GFADRO C[C@@H](CNC(=O)C(=O)N(C)CC[NH+]1CCCC1)c1c(Cl)cccc1Cl ZINC000552863664 564703717 /nfs/dbraw/zinc/70/37/17/564703717.db2.gz CDLROVUNNPNLEU-ZDUSSCGKSA-N 1 0 386.323 2.767 20 0 GFADRO Cc1cc(CNC(=O)NCCN2CCC([NH+](C)C)CC2)ccc1Br ZINC000458577122 564706163 /nfs/dbraw/zinc/70/61/63/564706163.db2.gz CTDWHWXSLZHELJ-UHFFFAOYSA-N 1 0 397.361 2.583 20 0 GFADRO C[C@H]1C[C@@H](NC(=O)NCCNc2ncc(C(F)(F)F)cc2Cl)CC[NH2+]1 ZINC000576211298 564707735 /nfs/dbraw/zinc/70/77/35/564707735.db2.gz PMQOTNLOKDNHEL-ONGXEEELSA-N 1 0 379.814 2.605 20 0 GFADRO C[C@@H]1C[N@@H+](CC(=O)N2CCN(Cc3cccc(Cl)c3)CC2)C[C@H](C)S1 ZINC000525783893 564708531 /nfs/dbraw/zinc/70/85/31/564708531.db2.gz NFFYSRGVCHKRJD-IYBDPMFKSA-N 1 0 381.973 2.810 20 0 GFADRO CC[NH+]1CCC(NC(=O)CN2CCc3cc(Br)cc(F)c3C2)CC1 ZINC000553072324 564708708 /nfs/dbraw/zinc/70/87/08/564708708.db2.gz KVSYMYFYDOCGLS-UHFFFAOYSA-N 1 0 398.320 2.547 20 0 GFADRO C[C@@H]1[C@@H](NC(=O)NCc2nc3c(cccc3Br)[nH]2)CCC[N@@H+]1C ZINC000458663202 564710699 /nfs/dbraw/zinc/71/06/99/564710699.db2.gz SRTXCMNZBZHKAY-PWSUYJOCSA-N 1 0 380.290 2.607 20 0 GFADRO CCC[N@H+](CC)C[C@@H](C)NC(=O)NCC(=O)Nc1cccc(Br)c1 ZINC000576275227 564710722 /nfs/dbraw/zinc/71/07/22/564710722.db2.gz AOQSQGGGDYNQPC-CYBMUJFWSA-N 1 0 399.333 2.807 20 0 GFADRO COc1cc(Br)ccc1CNC(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000488495738 564713029 /nfs/dbraw/zinc/71/30/29/564713029.db2.gz JBCRMVOTNHLAST-LSDHHAIUSA-N 1 0 382.302 2.884 20 0 GFADRO O=C(NCc1cc(Cl)ccc1Br)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000576344474 564713135 /nfs/dbraw/zinc/71/31/35/564713135.db2.gz RCZKJGCYICBRGP-LBPRGKRZSA-N 1 0 398.692 2.549 20 0 GFADRO Cn1ccnc1[C@H](NC(=O)CNC(=O)c1ccc(Cl)c(Cl)c1)C1CC1 ZINC000553268690 564714688 /nfs/dbraw/zinc/71/46/88/564714688.db2.gz WMKBQVFHVOMJSW-OAHLLOKOSA-N 1 0 381.263 2.724 20 0 GFADRO Cc1cc[nH+]c(NCCNS(=O)(=O)c2cc(C)ccc2Br)c1 ZINC000553365416 564717021 /nfs/dbraw/zinc/71/70/21/564717021.db2.gz HLUWDQXCDCLCRN-UHFFFAOYSA-N 1 0 384.299 2.851 20 0 GFADRO COc1ccc(Br)c(C[NH2+]CCN2C(=O)c3ccccc3C2=O)c1 ZINC000553366814 564717059 /nfs/dbraw/zinc/71/70/59/564717059.db2.gz JNXUXQFMRYHCJJ-UHFFFAOYSA-N 1 0 389.249 2.844 20 0 GFADRO CNC(=O)c1ccc(C[NH2+]CC(=O)Nc2ccc(Br)cc2C)cc1 ZINC000553370982 564717074 /nfs/dbraw/zinc/71/70/74/564717074.db2.gz URWCKYFYXUSSLR-UHFFFAOYSA-N 1 0 390.281 2.845 20 0 GFADRO COCC[N@H+](C)CCNC(=O)N[C@H]1c2cc(Br)ccc2CC1(C)C ZINC000488661928 564717457 /nfs/dbraw/zinc/71/74/57/564717457.db2.gz ZFMLWRSUHYPTHB-INIZCTEOSA-N 1 0 398.345 2.950 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)NCc1ccc(C[S@@](C)=O)cc1)c1ccsc1 ZINC000553388780 564717916 /nfs/dbraw/zinc/71/79/16/564717916.db2.gz NCPBXBZZMLALNM-CRICUBBOSA-N 1 0 379.551 2.729 20 0 GFADRO COC[C@@]1(CNC(=O)C2(c3ccc(Br)cc3)CCC2)CCC[NH2+]1 ZINC000576744979 564718002 /nfs/dbraw/zinc/71/80/02/564718002.db2.gz HJJPVTCUYQJLHM-KRWDZBQOSA-N 1 0 381.314 2.756 20 0 GFADRO CO[C@@H]1[C@H](C)[C@H]([NH2+]CCS(=O)(=O)c2ccc(Br)cc2)C1(C)C ZINC000553421751 564719484 /nfs/dbraw/zinc/71/94/84/564719484.db2.gz AXQUIPRDQHBGAQ-BYCMXARLSA-N 1 0 390.343 2.872 20 0 GFADRO COc1ccc(Br)c(CNC(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000576806974 564719608 /nfs/dbraw/zinc/71/96/08/564719608.db2.gz HEAJGDPURUMXMO-KBPBESRZSA-N 1 0 396.329 2.989 20 0 GFADRO CCOc1ccc(S(=O)(=O)N2C[C@@H](SC)[C@@H]([NH+]3CCCC3)C2)cc1C ZINC000526085201 564719678 /nfs/dbraw/zinc/71/96/78/564719678.db2.gz BCQJVNRJNCLGPU-FUHWJXTLSA-N 1 0 384.567 2.594 20 0 GFADRO CC1(C)[C@H]([NH2+]Cc2cn(-c3ccccc3Br)nn2)[C@H]2CCO[C@@H]21 ZINC000553439141 564720274 /nfs/dbraw/zinc/72/02/74/564720274.db2.gz OWCQZJMCUASYOY-WQVCFCJDSA-N 1 0 377.286 2.933 20 0 GFADRO CC[N@@H+]1C[C@H](C)N(C(=O)Cc2ccc(I)cc2)C[C@@H]1C ZINC000488784961 564720778 /nfs/dbraw/zinc/72/07/78/564720778.db2.gz MISVYMWPLPVPOY-STQMWFEESA-N 1 0 386.277 2.775 20 0 GFADRO C[C@H]1C[C@@H](C(=O)Nc2cc(-c3cc(F)cc(Br)c3)[nH]n2)CC[NH2+]1 ZINC000576819221 564720904 /nfs/dbraw/zinc/72/09/04/564720904.db2.gz HXHFKJPRKPIRKA-UWVGGRQHSA-N 1 0 381.249 3.305 20 0 GFADRO CSc1ccc([C@H](CNC(=O)N[C@@H](CO)CC(F)(F)F)[NH+](C)C)cc1 ZINC000458879662 564722082 /nfs/dbraw/zinc/72/20/82/564722082.db2.gz CHNRIKOQFTYWIC-OCCSQVGLSA-N 1 0 379.448 2.624 20 0 GFADRO O=S(=O)(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1cc(Br)c(F)cc1F ZINC000488850041 564722156 /nfs/dbraw/zinc/72/21/56/564722156.db2.gz FQJNOLVJKVMEBB-CHWSQXEVSA-N 1 0 395.269 2.632 20 0 GFADRO C[C@@H](Oc1ccc(Cl)c(Cl)c1)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000488854604 564722353 /nfs/dbraw/zinc/72/23/53/564722353.db2.gz NHZDKBZPYZZCHY-ZIAGYGMSSA-N 1 0 387.307 2.941 20 0 GFADRO Cc1nc(CNC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)sc1Br ZINC000458930909 564724779 /nfs/dbraw/zinc/72/47/79/564724779.db2.gz PLUJZHVNBSSKPX-NEPJUHHUSA-N 1 0 387.347 2.840 20 0 GFADRO Cn1c(=O)sc2cc(C[NH2+]CCNC(=O)c3ccc(Cl)cc3)ccc21 ZINC000526978849 564724717 /nfs/dbraw/zinc/72/47/17/564724717.db2.gz FORANGFGAHUIPW-UHFFFAOYSA-N 1 0 375.881 2.773 20 0 GFADRO O=C(NC/C=C\c1ccc(Br)cc1)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000458958407 564725893 /nfs/dbraw/zinc/72/58/93/564725893.db2.gz AIWYFILILWZSDN-DIIYHRTISA-N 1 0 396.329 2.608 20 0 GFADRO OC[C@]1([C@H]([NH2+]Cc2cc3c(cc2Br)OCO3)C2CC2)CCCO1 ZINC000577196778 564729272 /nfs/dbraw/zinc/72/92/72/564729272.db2.gz PXHCKWABFUSDQD-SJORKVTESA-N 1 0 384.270 2.588 20 0 GFADRO Cc1cc(CNC(=O)N2CC[N@@H+](CC(C)(C)O)C[C@H]2C)ccc1Br ZINC000459163105 564733568 /nfs/dbraw/zinc/73/35/68/564733568.db2.gz AZBHSPNXFGNEIG-CQSZACIVSA-N 1 0 398.345 2.744 20 0 GFADRO O=C(NCCc1cccc(Cl)c1Cl)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000489266290 564734056 /nfs/dbraw/zinc/73/40/56/564734056.db2.gz JMGDPDVSESLHLC-CQSZACIVSA-N 1 0 386.323 2.900 20 0 GFADRO COc1cc(C(=O)N2CC[N@H+](C)[C@H](C(C)C)C2)cc(OC)c1Br ZINC000489322608 564736269 /nfs/dbraw/zinc/73/62/69/564736269.db2.gz NHVCQEKIZBFEBT-ZDUSSCGKSA-N 1 0 385.302 2.879 20 0 GFADRO CCOC(=O)c1oc2ccc(Br)cc2c1CN(C)CCNC(C)=O ZINC000577607184 564737197 /nfs/dbraw/zinc/73/71/97/564737197.db2.gz AYAGHALIGATHEN-UHFFFAOYSA-N 1 0 397.269 2.940 20 0 GFADRO C[N@@H+]1CCC[C@H](CCNC(=O)N[C@@H](CO)c2cccc(Br)c2)C1 ZINC000459243870 564737631 /nfs/dbraw/zinc/73/76/31/564737631.db2.gz AFQMCDCKKQZZLR-CJNGLKHVSA-N 1 0 384.318 2.514 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC000577884639 564738181 /nfs/dbraw/zinc/73/81/81/564738181.db2.gz TXGOZYSIOGHFNS-LBPRGKRZSA-N 1 0 382.302 2.544 20 0 GFADRO [NH3+][C@@H]1CCCC[C@@H]1CC(=O)NCCc1ccc(I)s1 ZINC000578066287 564740338 /nfs/dbraw/zinc/74/03/38/564740338.db2.gz NFHSDKMECHAYOY-ZYHUDNBSSA-N 1 0 392.306 2.919 20 0 GFADRO CCO[C@@H]1C[C@@H]([NH2+]CCCN(CC)S(C)(=O)=O)[C@H]1Sc1ccccc1 ZINC000459379124 564742255 /nfs/dbraw/zinc/74/22/55/564742255.db2.gz XIFWPBNZCRTSCD-KZNAEPCWSA-N 1 0 386.583 2.586 20 0 GFADRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1S(=O)(=O)c1cccc(OC(F)(F)F)c1 ZINC000553894469 564743194 /nfs/dbraw/zinc/74/31/94/564743194.db2.gz YMFLJBYFBIXPIJ-SWLSCSKDSA-N 1 0 378.416 2.833 20 0 GFADRO CN(C)[C@@]1(C[NH2+]C[C@@H](O)COc2ccc(Cl)cc2Cl)CCSC1 ZINC000578350473 564743366 /nfs/dbraw/zinc/74/33/66/564743366.db2.gz OWAMNSKXRJGXSG-CZUORRHYSA-N 1 0 379.353 2.760 20 0 GFADRO CC[N@@H+]1CCN(C(=O)C2(c3ccc(I)cc3)CC2)[C@@H](C)C1 ZINC000578800499 564744180 /nfs/dbraw/zinc/74/41/80/564744180.db2.gz MVMSKLVGGQSOTB-ZDUSSCGKSA-N 1 0 398.288 2.875 20 0 GFADRO C[C@@H](c1ccccc1Br)[NH+]1CCC(n2cnc(C(N)=O)c2N)CC1 ZINC000459458753 564745970 /nfs/dbraw/zinc/74/59/70/564745970.db2.gz YWZZUZFPQZMBDC-NSHDSACASA-N 1 0 392.301 2.725 20 0 GFADRO CC(C)[C@@](C)([NH2+]Cc1ccc(I)c(Cl)c1)C(N)=O ZINC000459475741 564745976 /nfs/dbraw/zinc/74/59/76/564745976.db2.gz GEGNAQSLJVYOST-CYBMUJFWSA-N 1 0 380.657 2.934 20 0 GFADRO CCC[C@@H](C)CS(=O)(=O)N(C[C@H](O)CC(C)(C)C)C1CC[NH+](C)CC1 ZINC000579259995 564746490 /nfs/dbraw/zinc/74/64/90/564746490.db2.gz RTAGXPZOOZBIRT-SJLPKXTDSA-N 1 0 376.607 2.946 20 0 GFADRO CC(C)C[C@@](C)(NCc1cn(CC(N)=O)nn1)c1cccc(Br)c1 ZINC000459534088 564749113 /nfs/dbraw/zinc/74/91/13/564749113.db2.gz UKBROXOUMNLYMM-QGZVFWFLSA-N 1 0 394.317 2.577 20 0 GFADRO O=S1(=O)CCC[C@H](C[NH2+][C@H]2CCc3c2c(Br)ccc3F)C1 ZINC000554092991 564750502 /nfs/dbraw/zinc/75/05/02/564750502.db2.gz SDQGTIVKOSCSFO-YGRLFVJLSA-N 1 0 376.291 2.990 20 0 GFADRO CCOc1cc(CN(CCOC)CC[NH+](C)C)cc(Br)c1O ZINC000459558972 564750592 /nfs/dbraw/zinc/75/05/92/564750592.db2.gz LYAIIKIZFRNAHH-UHFFFAOYSA-N 1 0 375.307 2.563 20 0 GFADRO CCOc1cc(C[NH2+]C[C@H](CO)c2cccnc2)cc(Br)c1O ZINC000459568052 564751472 /nfs/dbraw/zinc/75/14/72/564751472.db2.gz KRSLBZUHBKCMPC-CQSZACIVSA-N 1 0 381.270 2.814 20 0 GFADRO C[C@H]1CN(c2ccccc2CNCc2nn(C)cc2Br)CCO1 ZINC000459583060 564751674 /nfs/dbraw/zinc/75/16/74/564751674.db2.gz SBGCNWGQWLWWLG-ZDUSSCGKSA-N 1 0 379.302 2.698 20 0 GFADRO COc1ccc(Br)cc1CN(C)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000579816277 564752337 /nfs/dbraw/zinc/75/23/37/564752337.db2.gz LSXDJGOYWJRLCY-HEHGZKQESA-N 1 0 396.329 2.987 20 0 GFADRO CC[NH+]1CCC(NC(=O)CN2CCC[C@H]2c2ccc(Br)cn2)CC1 ZINC000459599283 564752862 /nfs/dbraw/zinc/75/28/62/564752862.db2.gz XQIMPYXDIPWANW-KRWDZBQOSA-N 1 0 395.345 2.582 20 0 GFADRO Cn1cc(-c2nc(C[NH2+]CCCn3cc(Br)cn3)cs2)cn1 ZINC000527707591 564757534 /nfs/dbraw/zinc/75/75/34/564757534.db2.gz AWBQCKUXCRBSRR-UHFFFAOYSA-N 1 0 381.303 2.683 20 0 GFADRO CS(=O)(=O)N[C@H]1CCCC[C@H]1C[NH2+]Cc1ccsc1Br ZINC000527707756 564757627 /nfs/dbraw/zinc/75/76/27/564757627.db2.gz NEICUUMXLCTUTA-JQWIXIFHSA-N 1 0 381.361 2.708 20 0 GFADRO Cc1cc(Br)c(S(=O)(=O)N2CCC[C@]3(CC[NH2+]C3)C2)s1 ZINC000489974821 564758399 /nfs/dbraw/zinc/75/83/99/564758399.db2.gz AXEHJIJTNXOKSO-CYBMUJFWSA-N 1 0 379.345 2.583 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH2+]C[C@@H](O)[C@@H]1CCCO1 ZINC000527760929 564759846 /nfs/dbraw/zinc/75/98/46/564759846.db2.gz UFGQBJHNLIGSES-MSOLQXFVSA-N 1 0 394.313 2.881 20 0 GFADRO NS(=O)(=O)C[C@H]1CCC[N@@H+]1CCSc1ccnc2cc(Cl)ccc21 ZINC000490008104 564760382 /nfs/dbraw/zinc/76/03/82/564760382.db2.gz YQCPFQXSNOUXBF-CYBMUJFWSA-N 1 0 385.942 2.733 20 0 GFADRO Cc1sc2ccc(Cl)cc2c1S(=O)(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000490027418 564760580 /nfs/dbraw/zinc/76/05/80/564760580.db2.gz DHAUHHDJWLKTFC-AWEZNQCLSA-N 1 0 399.969 2.531 20 0 GFADRO COc1ccc(CN2CC[C@@H]2C[NH2+]Cc2c(Br)c(C)nn2C)cc1 ZINC000527776025 564760728 /nfs/dbraw/zinc/76/07/28/564760728.db2.gz XMYHWNYJPDRRMM-OAHLLOKOSA-N 1 0 393.329 2.864 20 0 GFADRO C[C@@H](CNS(=O)(=O)c1c(Cl)cc(F)cc1Br)C[NH+](C)C ZINC000490041091 564761315 /nfs/dbraw/zinc/76/13/15/564761315.db2.gz GDFRPSHOMQPNRV-QMMMGPOBSA-N 1 0 387.702 2.718 20 0 GFADRO CCO[C@@]1(C)C[C@H]1[NH2+]Cc1cc(Br)ccc1O[C@@H](C)C(=O)NC ZINC000527782840 564761460 /nfs/dbraw/zinc/76/14/60/564761460.db2.gz KAQCXSLKDFNLQP-CXMBCZLWSA-N 1 0 385.302 2.620 20 0 GFADRO CC(C)CN(C(=O)C[NH2+][C@@H](C)c1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000459828605 564761898 /nfs/dbraw/zinc/76/18/98/564761898.db2.gz OUARTOMFFLZFAZ-YOEHRIQHSA-N 1 0 386.945 2.662 20 0 GFADRO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000459849108 564762957 /nfs/dbraw/zinc/76/29/57/564762957.db2.gz GAVZVEKOLWRFIC-AWEZNQCLSA-N 1 0 386.323 2.752 20 0 GFADRO C[C@H]([NH2+]C[C@H]1CCN(S(C)(=O)=O)C1)c1cc(F)c(Br)cc1F ZINC000527874181 564763212 /nfs/dbraw/zinc/76/32/12/564763212.db2.gz BHUJCQCLSFNYDM-VHSXEESVSA-N 1 0 397.285 2.659 20 0 GFADRO CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000459856407 564763738 /nfs/dbraw/zinc/76/37/38/564763738.db2.gz MBXRXPKRHSGEBV-CQSZACIVSA-N 1 0 383.945 2.837 20 0 GFADRO Cc1ccc(-c2nc(NC(=O)CCNC(=O)[C@@H]3CCC[NH2+]3)sc2C)s1 ZINC000580559567 564764176 /nfs/dbraw/zinc/76/41/76/564764176.db2.gz NYPAFYGLJNEMRY-LBPRGKRZSA-N 1 0 378.523 2.685 20 0 GFADRO Cn1c(C[NH2+][C@H](C2CC2)[C@]2(CO)CCCO2)nc2ccc(Br)cc21 ZINC000580575341 564764835 /nfs/dbraw/zinc/76/48/35/564764835.db2.gz NTQHITVABZFBHP-QZTJIDSGSA-N 1 0 394.313 2.746 20 0 GFADRO C[C@@H]([NH2+]CC[C@H]1CCCOC1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000527930175 564765033 /nfs/dbraw/zinc/76/50/33/564765033.db2.gz QJUAOERVUCPOTL-VXGBXAGGSA-N 1 0 391.331 2.564 20 0 GFADRO COCC[N@H+](C)CCCNC(=O)C(=O)Nc1cc(Cl)c(Cl)c(Cl)c1 ZINC000580573010 564765116 /nfs/dbraw/zinc/76/51/16/564765116.db2.gz JCUQEMGOUKGICK-UHFFFAOYSA-N 1 0 396.702 2.670 20 0 GFADRO Cn1c(C[NH2+][C@@H](C2CC2)[C@@]2(CO)CCCO2)nc2ccc(Br)cc21 ZINC000580575342 564765141 /nfs/dbraw/zinc/76/51/41/564765141.db2.gz NTQHITVABZFBHP-ROUUACIJSA-N 1 0 394.313 2.746 20 0 GFADRO O=C(NCc1cc(Br)c2c(c1)OCCO2)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000490175548 564765576 /nfs/dbraw/zinc/76/55/76/564765576.db2.gz FKIQNERCGHXCEN-YUELXQCFSA-N 1 0 395.297 2.757 20 0 GFADRO CN(Cc1c(Cl)cccc1Cl)C(=O)C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000459964669 564766400 /nfs/dbraw/zinc/76/64/00/564766400.db2.gz URZDSVVBDSELCU-CYBMUJFWSA-N 1 0 386.323 2.752 20 0 GFADRO Cc1cc(NC(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)C2)c(F)cc1Br ZINC000554571829 564766633 /nfs/dbraw/zinc/76/66/33/564766633.db2.gz GTKCAIKZBHOALA-LBPRGKRZSA-N 1 0 398.276 2.532 20 0 GFADRO C[NH+](C)CCOCCNC(=O)N[C@H]1c2cc(Br)ccc2CC1(C)C ZINC000490242476 564767081 /nfs/dbraw/zinc/76/70/81/564767081.db2.gz JMBDGSSDTJKCQU-INIZCTEOSA-N 1 0 398.345 2.950 20 0 GFADRO CCn1ccnc1[C@H]([NH2+]CC1COC1)c1ccc(I)cc1 ZINC000528029172 564767211 /nfs/dbraw/zinc/76/72/11/564767211.db2.gz XSWPNUASZPTQIO-OAHLLOKOSA-N 1 0 397.260 2.833 20 0 GFADRO COc1ccc(CNC(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1Br ZINC000580631793 564767364 /nfs/dbraw/zinc/76/73/64/564767364.db2.gz KTAKJLHOAFKPFP-MELADBBJSA-N 1 0 382.302 2.645 20 0 GFADRO CC(C)[C@H]1C[NH2+]CCN1S(=O)(=O)c1cc(Br)ccc1Cl ZINC000528045872 564768101 /nfs/dbraw/zinc/76/81/01/564768101.db2.gz ANCGSIGJNZYBRU-GFCCVEGCSA-N 1 0 381.723 2.721 20 0 GFADRO CC(C)[C@@H]1C[NH2+]CCN1S(=O)(=O)c1cc(Br)ccc1Cl ZINC000528045874 564768280 /nfs/dbraw/zinc/76/82/80/564768280.db2.gz ANCGSIGJNZYBRU-LBPRGKRZSA-N 1 0 381.723 2.721 20 0 GFADRO O=S(=O)(c1cc(Cl)cc(Cl)c1)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000528061957 564769020 /nfs/dbraw/zinc/76/90/20/564769020.db2.gz ZSAREVMGNWALMF-HNNXBMFYSA-N 1 0 393.336 2.773 20 0 GFADRO C[C@@]1(CNC(=O)N[C@H]2CCN(c3ccccc3Br)C2)CCC[NH2+]C1 ZINC000580703946 564770363 /nfs/dbraw/zinc/77/03/63/564770363.db2.gz WLBWUEKYRREZET-KBXCAEBGSA-N 1 0 395.345 2.717 20 0 GFADRO C[C@@H](NS(=O)(=O)c1ccc(C[NH+](C)C)cc1)[C@@H]1OCCc2sccc21 ZINC000490502510 564774076 /nfs/dbraw/zinc/77/40/76/564774076.db2.gz YWWRRBCHFAGXHH-ACJLOTCBSA-N 1 0 380.535 2.791 20 0 GFADRO NC(=O)[C@@H](NCc1ccnc(OC(F)F)c1)c1cccc(Br)c1 ZINC000580824573 564775350 /nfs/dbraw/zinc/77/53/50/564775350.db2.gz ZPCBUADCYDMARQ-ZDUSSCGKSA-N 1 0 386.196 2.762 20 0 GFADRO CC[NH+](CC)CCN(C(=O)CCn1ccnn1)c1cccc(Br)c1 ZINC000554873829 564775641 /nfs/dbraw/zinc/77/56/41/564775641.db2.gz BCNQJLJVGUCEQC-UHFFFAOYSA-N 1 0 394.317 2.806 20 0 GFADRO O=C(NCCc1c[nH]c2ccc(Br)cc12)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000580882579 564778617 /nfs/dbraw/zinc/77/86/17/564778617.db2.gz CLLFEEUANWOVNB-OCCSQVGLSA-N 1 0 391.313 2.724 20 0 GFADRO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N1CC=C(c2ccc(Cl)c(Cl)c2)CC1 ZINC000580952715 564781045 /nfs/dbraw/zinc/78/10/45/564781045.db2.gz QNHXNNNIZRUILL-NWDGAFQWSA-N 1 0 384.307 2.851 20 0 GFADRO CSC1(CNC(=O)[C@@H]2COc3ccc(Br)cc32)CC[NH+](C)CC1 ZINC000555072480 564781731 /nfs/dbraw/zinc/78/17/31/564781731.db2.gz IENXQHJCOILCPG-CQSZACIVSA-N 1 0 399.354 2.869 20 0 GFADRO C[C@H](CNC(=O)[C@H]([NH3+])Cc1ccccc1)Oc1cccc(Br)c1 ZINC000490953065 564784433 /nfs/dbraw/zinc/78/44/33/564784433.db2.gz GEFOWFCMOVDHCT-CXAGYDPISA-N 1 0 377.282 2.903 20 0 GFADRO CC[NH+]1CCN([C@H]2CCN(C(=O)Cc3cccc(C)c3Br)C2)CC1 ZINC000528455681 564786129 /nfs/dbraw/zinc/78/61/29/564786129.db2.gz JCKMGMKCCFGNMR-KRWDZBQOSA-N 1 0 394.357 2.538 20 0 GFADRO CSC1(CNC(=O)C2(c3cccc(Cl)c3)CC(=O)C2)CC[NH+](C)CC1 ZINC000460974247 564786452 /nfs/dbraw/zinc/78/64/52/564786452.db2.gz SKFHBIJTZBQLSR-UHFFFAOYSA-N 1 0 380.941 2.884 20 0 GFADRO Cc1sc(C(=O)N2CCN(C3CCC3)C[C@H](C)C2)cc1CS(C)(=O)=O ZINC000581088294 564786853 /nfs/dbraw/zinc/78/68/53/564786853.db2.gz VBCXFKKXFZFQJK-ZDUSSCGKSA-N 1 0 384.567 2.548 20 0 GFADRO CCS(=O)(=O)N1CC(C[NH2+][C@@H](C)c2csc(-c3ccccc3F)n2)C1 ZINC000555241528 564787241 /nfs/dbraw/zinc/78/72/41/564787241.db2.gz ILXCVMMNNBXNCV-LBPRGKRZSA-N 1 0 383.514 2.881 20 0 GFADRO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000461030027 564788032 /nfs/dbraw/zinc/78/80/32/564788032.db2.gz PIWANLHHXWEOOT-KGLIPLIRSA-N 1 0 396.329 2.647 20 0 GFADRO COc1ccccc1-c1ncc(C[NH2+]CCn2cc(Br)cn2)cn1 ZINC000491387482 564790563 /nfs/dbraw/zinc/79/05/63/564790563.db2.gz JAOBCVQEKQHBSH-UHFFFAOYSA-N 1 0 388.269 2.901 20 0 GFADRO CN(Cc1ccc(Cl)s1)C(=O)C[N@@H+]1CC2(CCOCC2)CC[C@H]1CO ZINC000528638386 564797568 /nfs/dbraw/zinc/79/75/68/564797568.db2.gz INYYSQWACIUVPN-AWEZNQCLSA-N 1 0 386.945 2.613 20 0 GFADRO COc1ccc(F)c(C[NH2+][C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)c1 ZINC000555586772 564798448 /nfs/dbraw/zinc/79/84/48/564798448.db2.gz BTTIYVIZQBRDTH-CQSZACIVSA-N 1 0 384.498 2.839 20 0 GFADRO C[NH2+]C[C@@H]1CCCN1S(=O)(=O)Cc1cc(Cl)ccc1Br ZINC000581369366 564799211 /nfs/dbraw/zinc/79/92/11/564799211.db2.gz VOUJWXODRZPPQG-LBPRGKRZSA-N 1 0 381.723 2.616 20 0 GFADRO O=C(Nc1cnn(-c2ncc(Cl)cc2Cl)c1)N[C@H]1CC[NH2+]C12CCC2 ZINC000528682922 564799948 /nfs/dbraw/zinc/79/99/48/564799948.db2.gz DIHIIUVFVSAEAL-ZDUSSCGKSA-N 1 0 381.267 2.980 20 0 GFADRO CC(C)[C@H]1C[NH2+]CCN1C(=O)Nc1cccc(F)c1I ZINC000528687168 564800604 /nfs/dbraw/zinc/80/06/04/564800604.db2.gz PEHUSRDDSDXPSU-GFCCVEGCSA-N 1 0 391.228 2.892 20 0 GFADRO CCCC[N@H+](C)CCNC(=O)NCC(=O)Nc1ccc(Br)c(C)c1 ZINC000492355592 564801901 /nfs/dbraw/zinc/80/19/01/564801901.db2.gz XTRJVBKOUSZIRD-UHFFFAOYSA-N 1 0 399.333 2.727 20 0 GFADRO CC[NH+](CC)CCSCC(=O)Nc1ccc(NS(=O)(=O)CC)c(C)c1 ZINC000461892282 564807487 /nfs/dbraw/zinc/80/74/87/564807487.db2.gz ZTCLNZHJXXLOMI-UHFFFAOYSA-N 1 0 387.571 2.770 20 0 GFADRO CC[NH+](CC)CCN(C(=O)c1ccnn1C)c1ccc(Br)cn1 ZINC000555910966 564807623 /nfs/dbraw/zinc/80/76/23/564807623.db2.gz XOIJIAASOYAXNY-UHFFFAOYSA-N 1 0 380.290 2.566 20 0 GFADRO COC(=O)C[C@@H](C)CC(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000581570855 564808266 /nfs/dbraw/zinc/80/82/66/564808266.db2.gz NMILODNWMFFNRW-AWEZNQCLSA-N 1 0 399.329 2.929 20 0 GFADRO O=C(NCc1cccc(Cl)c1Cl)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000555941327 564808828 /nfs/dbraw/zinc/80/88/28/564808828.db2.gz LFNIUVWFHHBZRD-CQSZACIVSA-N 1 0 384.307 2.696 20 0 GFADRO CN(Cc1ccc(Cl)s1)C(=O)CN1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000581598302 564809709 /nfs/dbraw/zinc/80/97/09/564809709.db2.gz APFRURCJMJCMNS-MAUKXSAKSA-N 1 0 385.961 2.578 20 0 GFADRO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCCC(=O)Nc1ccc(Br)cc1 ZINC000461973471 564810207 /nfs/dbraw/zinc/81/02/07/564810207.db2.gz MEPHHIDRWVBYAF-BETUJISGSA-N 1 0 382.302 2.767 20 0 GFADRO [NH3+]C[C@@H]1CCCC[C@]12NC(=O)N(CCOc1cc(Cl)ccc1Cl)C2=O ZINC000581605894 564810168 /nfs/dbraw/zinc/81/01/68/564810168.db2.gz FSWBXYSZFDYQKM-GTNSWQLSSA-N 1 0 386.279 2.812 20 0 GFADRO CC(C)[N@@H+](C)C[C@H](C)NC(=O)N(CCO)Cc1ccc(Br)s1 ZINC000462008917 564810783 /nfs/dbraw/zinc/81/07/83/564810783.db2.gz KMBNJHMDWQZUPV-LBPRGKRZSA-N 1 0 392.363 2.743 20 0 GFADRO CCCN(CC1CC1)S(=O)(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000493911262 564812839 /nfs/dbraw/zinc/81/28/39/564812839.db2.gz FJJZPPWPSFAKIH-QGZVFWFLSA-N 1 0 385.599 2.917 20 0 GFADRO CC(C)[C@@H]([NH2+][C@H]1CCc2sc(Br)cc21)C(=O)N1CCOCC1 ZINC000556104353 564813428 /nfs/dbraw/zinc/81/34/28/564813428.db2.gz TYFCPXARKRVXKL-SWLSCSKDSA-N 1 0 387.343 2.971 20 0 GFADRO C[C@@H](CNC(=O)C(=O)NCc1c(Cl)cccc1Cl)[N@@H+]1CCC[C@@H](C)C1 ZINC000556135471 564813444 /nfs/dbraw/zinc/81/34/44/564813444.db2.gz JDVPTFPRGUODHR-OLZOCXBDSA-N 1 0 386.323 2.846 20 0 GFADRO C[C@H]([NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1)c1cc[nH]c(=O)c1 ZINC000581721805 564815675 /nfs/dbraw/zinc/81/56/75/564815675.db2.gz QOLZVAQKUKPWPK-IINYFYTJSA-N 1 0 385.233 2.779 20 0 GFADRO COc1cc([C@H](C)[NH2+]CCCNS(=O)(=O)c2ccccc2Cl)ccn1 ZINC000556262334 564816194 /nfs/dbraw/zinc/81/61/94/564816194.db2.gz XVPVIWDKYSRWPL-ZDUSSCGKSA-N 1 0 383.901 2.763 20 0 GFADRO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+][C@@H]2CCOC3(CCSCC3)C2)cc1 ZINC000581742888 564816733 /nfs/dbraw/zinc/81/67/33/564816733.db2.gz VPZVSDGRJMKZDR-GDBMZVCRSA-N 1 0 384.567 2.690 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1CCNS(=O)(=O)CCc1ccccc1Br ZINC000462085986 564817498 /nfs/dbraw/zinc/81/74/98/564817498.db2.gz VAGKZXBOHSPEPT-CQSZACIVSA-N 1 0 389.359 2.785 20 0 GFADRO Cc1cc(S(=O)(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)ccc1Br ZINC000581774939 564817798 /nfs/dbraw/zinc/81/77/98/564817798.db2.gz ATAZJDAWFLESQF-MRXNPFEDSA-N 1 0 387.343 2.864 20 0 GFADRO [NH3+][C@@H]1CCc2ncc(NC(=O)COc3ccc(F)cc3Br)cc2C1 ZINC000581806461 564818859 /nfs/dbraw/zinc/81/88/59/564818859.db2.gz MUNZEPLEOCPSOC-GFCCVEGCSA-N 1 0 394.244 2.817 20 0 GFADRO COc1ccc(Br)c(CN(C)C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000581874499 564820601 /nfs/dbraw/zinc/82/06/01/564820601.db2.gz XUODXXYFQTZOFW-VNHYZAJKSA-N 1 0 396.329 2.987 20 0 GFADRO Cc1ccc2nc(C[NH2+]CCNC(=O)c3cccc(Br)c3)cn2c1 ZINC000556386289 564822914 /nfs/dbraw/zinc/82/29/14/564822914.db2.gz OTZGQMQRKRSCTJ-UHFFFAOYSA-N 1 0 387.281 2.925 20 0 GFADRO Cc1ccc(C[NH2+]CC(=O)Nc2ccc(I)cc2)cn1 ZINC000556412373 564824435 /nfs/dbraw/zinc/82/44/35/564824435.db2.gz BVAMVTFMYXOKIS-UHFFFAOYSA-N 1 0 381.217 2.723 20 0 GFADRO C[N@@H+]1CC[C@@](O)(CNC(=O)Nc2cccc3cccc(Br)c32)C1 ZINC000529276384 564827541 /nfs/dbraw/zinc/82/75/41/564827541.db2.gz YJINPLKHEJRHGR-QGZVFWFLSA-N 1 0 378.270 2.790 20 0 GFADRO CN(C)S(=O)(=O)CCC[N@H+](Cc1cccs1)C1Cc2ccccc2C1 ZINC000556517815 564829223 /nfs/dbraw/zinc/82/92/23/564829223.db2.gz BSATWEDVMXGIOY-UHFFFAOYSA-N 1 0 378.563 2.999 20 0 GFADRO O=C(COc1ccsc1Cl)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000556579147 564830962 /nfs/dbraw/zinc/83/09/62/564830962.db2.gz NCUYJODLLCIHRE-OAHLLOKOSA-N 1 0 380.897 2.663 20 0 GFADRO C[C@@H]1CN(C2CC2)C[C@H]1[NH2+]Cc1cc(C(F)(F)F)cc(S(C)(=O)=O)c1 ZINC000556575198 564831380 /nfs/dbraw/zinc/83/13/80/564831380.db2.gz ZEFCYFULSIXXBI-BDJLRTHQSA-N 1 0 376.444 2.681 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)NCc2ccc(Br)c(F)c2F)C1 ZINC000529369890 564831887 /nfs/dbraw/zinc/83/18/87/564831887.db2.gz KWCPEEWEUCWPNN-MWLCHTKSSA-N 1 0 376.245 2.996 20 0 GFADRO C[NH2+]C[C@@H]1CCCN(C(=O)NCc2cc(F)c(Br)cc2F)C1 ZINC000529370526 564832198 /nfs/dbraw/zinc/83/21/98/564832198.db2.gz PULYQYUORVCARF-JTQLQIEISA-N 1 0 376.245 2.868 20 0 GFADRO CC[C@@H]([NH2+]CC(=O)Nc1ccc(I)cc1)[C@H]1CCOC1 ZINC000556608376 564832260 /nfs/dbraw/zinc/83/22/60/564832260.db2.gz HIIAFGLIUOAHHN-SMDDNHRTSA-N 1 0 388.249 2.634 20 0 GFADRO O=C(NC[C@H]1COCC[NH2+]1)N1CCC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000529374228 564832301 /nfs/dbraw/zinc/83/23/01/564832301.db2.gz JCCJIDFUQSFMTH-GXTWGEPZSA-N 1 0 388.295 2.535 20 0 GFADRO Cc1cscc1C[NH2+][C@H](C)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000494502450 564832394 /nfs/dbraw/zinc/83/23/94/564832394.db2.gz FFTHDWZPQWKNTN-OAHLLOKOSA-N 1 0 380.535 2.928 20 0 GFADRO CC(C)[C@@H]([NH3+])C(=O)N1CCC(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000494515367 564832632 /nfs/dbraw/zinc/83/26/32/564832632.db2.gz YEUCFDJMSZKTJN-OAHLLOKOSA-N 1 0 382.302 2.610 20 0 GFADRO O=C(Nc1ccc(I)cc1F)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000582133103 564832591 /nfs/dbraw/zinc/83/25/91/564832591.db2.gz JOSDVEVJNSAVRH-AWEZNQCLSA-N 1 0 389.212 2.648 20 0 GFADRO Cc1ccc(S(=O)(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1Br ZINC000462323028 564833692 /nfs/dbraw/zinc/83/36/92/564833692.db2.gz BNSCXEMYCXFSBT-OLZOCXBDSA-N 1 0 375.332 2.861 20 0 GFADRO COC(=O)c1cc(Br)cc(C(=O)NCC2CC[NH+](C3CC3)CC2)c1 ZINC000462314535 564833743 /nfs/dbraw/zinc/83/37/43/564833743.db2.gz KKZJVZABPJZMFA-UHFFFAOYSA-N 1 0 395.297 2.840 20 0 GFADRO C[C@@]1(C(=O)NCc2noc(-c3cccc(Br)c3)n2)CCC[NH2+]C1 ZINC000582181917 564834375 /nfs/dbraw/zinc/83/43/75/564834375.db2.gz BDTRKALJVSNQNK-MRXNPFEDSA-N 1 0 379.258 2.505 20 0 GFADRO CC[NH2+]CC1CCN(C(=O)Cc2ccc(I)cc2)CC1 ZINC000582240135 564836794 /nfs/dbraw/zinc/83/67/94/564836794.db2.gz RTMYZGGDRSWTQX-UHFFFAOYSA-N 1 0 386.277 2.682 20 0 GFADRO OC[C@H]([NH2+]C[C@H](O)COc1ccc(Br)cc1)c1ccc(F)cc1 ZINC000582260689 564837675 /nfs/dbraw/zinc/83/76/75/564837675.db2.gz IYIBGHHKCAESCF-RDJZCZTQSA-N 1 0 384.245 2.651 20 0 GFADRO O[C@H](C[NH2+]C1CCN(C2CC2)CC1)COc1cc(F)cc(Br)c1 ZINC000582296602 564839949 /nfs/dbraw/zinc/83/99/49/564839949.db2.gz OVHIVDDCSAPCQX-MRXNPFEDSA-N 1 0 387.293 2.544 20 0 GFADRO COCC[N@H+](C)CCCNC(=O)N(C)Cc1ccc(Br)c(F)c1 ZINC000494819454 564841219 /nfs/dbraw/zinc/84/12/19/564841219.db2.gz NXYORTKXSIRAPF-UHFFFAOYSA-N 1 0 390.297 2.698 20 0 GFADRO COCCN(Cc1cc(Br)cs1)C(=O)NC1CC[NH+](C)CC1 ZINC000494839913 564841518 /nfs/dbraw/zinc/84/15/18/564841518.db2.gz ZQILXGLXXHWNJG-UHFFFAOYSA-N 1 0 390.347 2.763 20 0 GFADRO C[C@@H]1CN(Cc2ncc(Cl)cc2Br)CC[N@@H+]1CC(C)(C)O ZINC000529551990 564841654 /nfs/dbraw/zinc/84/16/54/564841654.db2.gz KFNKRAIHIFZZPP-LLVKDONJSA-N 1 0 376.726 2.775 20 0 GFADRO O=C(NC[C@]1(O)C[NH+]2CCC1CC2)c1csc(-c2ccc(Cl)s2)n1 ZINC000556852024 564843508 /nfs/dbraw/zinc/84/35/08/564843508.db2.gz ZQQKDFYJWNDXFE-INIZCTEOSA-N 1 0 383.926 2.712 20 0 GFADRO O[C@@H](C[NH2+]CCOc1ccc2cc(Br)ccc2c1)Cn1cccn1 ZINC000556881755 564844617 /nfs/dbraw/zinc/84/46/17/564844617.db2.gz CYLVSCLPMXDPCF-KRWDZBQOSA-N 1 0 390.281 2.828 20 0 GFADRO CC1(C)NC(=O)CC[C@H]1[NH2+]C[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000494933315 564844979 /nfs/dbraw/zinc/84/49/79/564844979.db2.gz URNMUKVBYFWUIV-XJKSGUPXSA-N 1 0 380.330 2.922 20 0 GFADRO C[C@@H]([NH2+][C@@H]1CCC(=O)NC1(C)C)c1ccc(Br)cc1OCCCO ZINC000494993479 564845960 /nfs/dbraw/zinc/84/59/60/564845960.db2.gz CFEDKAPYKWPLTK-MLGOLLRUSA-N 1 0 399.329 2.918 20 0 GFADRO Cc1cc(Br)c(S(=O)(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)s1 ZINC000462533685 564846220 /nfs/dbraw/zinc/84/62/20/564846220.db2.gz VFDNWQVWRRTUNI-NEPJUHHUSA-N 1 0 379.345 2.724 20 0 GFADRO Cc1c2cc(Cl)ccc2sc1CNC(=O)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000582447733 564847391 /nfs/dbraw/zinc/84/73/91/564847391.db2.gz ALSPNXBENNATNF-ZDUSSCGKSA-N 1 0 379.913 2.642 20 0 GFADRO O=C(NCC1CC[NH2+]CC1)Nc1cc(F)c(I)c(F)c1 ZINC000556947751 564848100 /nfs/dbraw/zinc/84/81/00/564848100.db2.gz SODHAGXAEOKURL-UHFFFAOYSA-N 1 0 395.191 2.691 20 0 GFADRO O=C(Nc1cnn(-c2ncc(Cl)cc2Cl)c1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000556969463 564848777 /nfs/dbraw/zinc/84/87/77/564848777.db2.gz LJHJCFHAAWSMQW-ZDUSSCGKSA-N 1 0 381.267 2.932 20 0 GFADRO O=C(NC[C@H]1CC[N@@H+]1C1CCCCC1)c1cc(I)c[nH]1 ZINC000529720516 564848780 /nfs/dbraw/zinc/84/87/80/564848780.db2.gz RUHKYWGRLYCODC-CYBMUJFWSA-N 1 0 387.265 2.756 20 0 GFADRO COc1cc(NC(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)cc(OC)c1Br ZINC000556982183 564849939 /nfs/dbraw/zinc/84/99/39/564849939.db2.gz YXQHLWDVBUBHSQ-ZYHUDNBSSA-N 1 0 384.274 2.682 20 0 GFADRO Cc1cccc2c1OC[C@H]([NH2+][C@@H](C(N)=O)c1ccc(Br)cc1)C2 ZINC000582519457 564850065 /nfs/dbraw/zinc/85/00/65/564850065.db2.gz MEPFVAZDMWGINQ-HZPDHXFCSA-N 1 0 375.266 2.877 20 0 GFADRO CN(C(=O)Nc1cc(Br)cc(C(=O)N2CCCC2)c1)[C@@H]1CC[NH2+]C1 ZINC000557006418 564850760 /nfs/dbraw/zinc/85/07/60/564850760.db2.gz MDXMBPMNYKZKNZ-OAHLLOKOSA-N 1 0 395.301 2.511 20 0 GFADRO C[C@@H](NC(=O)C(=O)NCC[N@H+](C)C1CCCC1)c1ccc(Br)cc1 ZINC000557015064 564850901 /nfs/dbraw/zinc/85/09/01/564850901.db2.gz AFTAAGVFACIALD-CYBMUJFWSA-N 1 0 396.329 2.617 20 0 GFADRO COc1ccc(C[NH2+]C[C@H](O)COc2cc(F)cc(Br)c2)nc1 ZINC000582541796 564851411 /nfs/dbraw/zinc/85/14/11/564851411.db2.gz HMMDYLGHHAWWHH-AWEZNQCLSA-N 1 0 385.233 2.521 20 0 GFADRO CS[C@H]1CN(C(=O)Cc2csc(-n3c(C)ccc3C)n2)C[C@@H]1[NH+](C)C ZINC000495566849 564855990 /nfs/dbraw/zinc/85/59/90/564855990.db2.gz ZTDXVOPQDKPPRM-HOTGVXAUSA-N 1 0 378.567 2.597 20 0 GFADRO C[C@@H](CNC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1)Oc1cccc(Br)c1 ZINC000557168721 564856924 /nfs/dbraw/zinc/85/69/24/564856924.db2.gz CATABDKPSJSVLQ-SOUVJXGZSA-N 1 0 396.329 2.857 20 0 GFADRO O=C(NCCC1=CC[NH2+]CC1)N[C@H]1CCOc2c(Br)cccc21 ZINC000557199676 564857759 /nfs/dbraw/zinc/85/77/59/564857759.db2.gz BLUQXLVDAQXBFD-HNNXBMFYSA-N 1 0 380.286 2.882 20 0 GFADRO C[C@H](NC(=O)N1CCO[C@@H](c2ccc(Br)cc2)C1)[C@@H]1CCC[NH2+]C1 ZINC000557215452 564858334 /nfs/dbraw/zinc/85/83/34/564858334.db2.gz ZAARGBAIDHWZOB-YSVLISHTSA-N 1 0 396.329 2.920 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CCSc2ccc(Cl)cc21 ZINC000557210063 564858383 /nfs/dbraw/zinc/85/83/83/564858383.db2.gz RVESFVDAMDOJLA-UKRRQHHQSA-N 1 0 381.929 2.594 20 0 GFADRO C[C@H](NC(=O)N1CCO[C@H](c2ccc(Br)cc2)C1)[C@@H]1CCC[NH2+]C1 ZINC000557215450 564858604 /nfs/dbraw/zinc/85/86/04/564858604.db2.gz ZAARGBAIDHWZOB-LXZKKBNFSA-N 1 0 396.329 2.920 20 0 GFADRO C[NH+](C)C[C@@H]1CCN(S(=O)(=O)Cc2cc(Cl)ccc2Br)C1 ZINC000582723174 564858703 /nfs/dbraw/zinc/85/87/03/564858703.db2.gz ZCYVOTNVLBDJCE-NSHDSACASA-N 1 0 395.750 2.816 20 0 GFADRO C[C@@H]([NH2+]CC1(O)CCS(=O)(=O)CC1)c1csc(-c2ccccc2F)n1 ZINC000462820899 564858810 /nfs/dbraw/zinc/85/88/10/564858810.db2.gz XVGAEFXFENKODP-GFCCVEGCSA-N 1 0 384.498 2.540 20 0 GFADRO Cc1ccc(C)c(OC[C@@H](O)C[NH2+]CCn2cc(Br)cn2)c1C ZINC000582721353 564858862 /nfs/dbraw/zinc/85/88/62/564858862.db2.gz DAKZLFXNIWDEHP-INIZCTEOSA-N 1 0 382.302 2.600 20 0 GFADRO C[NH+](C)C[C@H](NC(=O)c1ccnc2n[nH]nc21)c1ccc(Cl)c(Cl)c1 ZINC000530033381 564860165 /nfs/dbraw/zinc/86/01/65/564860165.db2.gz OIMNGXFJFDMCSE-ZDUSSCGKSA-N 1 0 379.251 2.692 20 0 GFADRO C[C@H]1CN(S(=O)(=O)c2c(Cl)cc(F)cc2Br)CC[C@@H]1[NH3+] ZINC000497358179 564865229 /nfs/dbraw/zinc/86/52/29/564865229.db2.gz NOYSTDWPECJAJI-CPCISQLKSA-N 1 0 385.686 2.599 20 0 GFADRO CN(CCNC(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)cc1)CC(F)(F)F ZINC000582849257 564865259 /nfs/dbraw/zinc/86/52/59/564865259.db2.gz KPEQNPHAKXQZDT-AWEZNQCLSA-N 1 0 380.842 2.736 20 0 GFADRO CC[N@H+](C)C[C@H](O)CSc1nnc(-c2cccs2)n1C[C@H]1CCCO1 ZINC000582857272 564865423 /nfs/dbraw/zinc/86/54/23/564865423.db2.gz YVZWMRZOJHMQFS-UONOGXRCSA-N 1 0 382.555 2.590 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CCCCN1S(=O)(=O)c1cc(F)c(Br)cc1F ZINC000497352169 564865658 /nfs/dbraw/zinc/86/56/58/564865658.db2.gz IEKGPVNBXRWPCZ-PRHODGIISA-N 1 0 383.258 2.618 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CCCCN1S(=O)(=O)c1cc(F)c(Br)cc1F ZINC000497352168 564865687 /nfs/dbraw/zinc/86/56/87/564865687.db2.gz IEKGPVNBXRWPCZ-PELKAZGASA-N 1 0 383.258 2.618 20 0 GFADRO O=C1NC(=O)C2(CCC([NH2+][C@H](CCO)c3ccc(Cl)c(Cl)c3)CC2)N1 ZINC000557520797 564866434 /nfs/dbraw/zinc/86/64/34/564866434.db2.gz HHLJWXYTAFEJPQ-CHHLVHLRSA-N 1 0 386.279 2.527 20 0 GFADRO C[C@H](O)C[N@H+](C)C1CCN(Cc2nc3ccc(Br)cc3o2)CC1 ZINC000463084679 564868654 /nfs/dbraw/zinc/86/86/54/564868654.db2.gz OJEPABOKCOEIBU-LBPRGKRZSA-N 1 0 382.302 2.867 20 0 GFADRO C[N@H+](CCNC(=O)C(C)(C)S(=O)(=O)c1ccc(Cl)cc1)C1CCCC1 ZINC000497491073 564869254 /nfs/dbraw/zinc/86/92/54/564869254.db2.gz FGUYFFLGKPKTKI-UHFFFAOYSA-N 1 0 386.945 2.883 20 0 GFADRO CN(CC[NH+]1CCCC1)C(=O)NCc1cc(Br)cc2c1OCC2 ZINC000463253185 564873936 /nfs/dbraw/zinc/87/39/36/564873936.db2.gz BSTDEFNURQRUBZ-UHFFFAOYSA-N 1 0 382.302 2.621 20 0 GFADRO C[C@@H]1CC[N@H+](C)CCN1C(=O)NCc1cc(Br)cc2c1OCC2 ZINC000463263907 564874598 /nfs/dbraw/zinc/87/45/98/564874598.db2.gz XCMQXLJDKBASCQ-GFCCVEGCSA-N 1 0 382.302 2.620 20 0 GFADRO Cc1ccc(C[NH2+]Cc2ccc3c(c2)sc(=O)n3C)cc1S(C)(=O)=O ZINC000530280913 564875100 /nfs/dbraw/zinc/87/51/00/564875100.db2.gz ALGRBCXFBYIULT-UHFFFAOYSA-N 1 0 376.503 2.602 20 0 GFADRO CC(C)(C)[C@@H](O)C[C@@H](CO)[NH2+]CCC(=O)Nc1ccc(Br)cc1 ZINC000583084973 564875651 /nfs/dbraw/zinc/87/56/51/564875651.db2.gz STWNXUJBAHOHCW-GJZGRUSLSA-N 1 0 387.318 2.525 20 0 GFADRO C[C@H]1CCC[N@H+](CCNS(=O)(=O)Cc2ccccc2Br)C1 ZINC000557796908 564876822 /nfs/dbraw/zinc/87/68/22/564876822.db2.gz CRKYLLOEDVAUPF-ZDUSSCGKSA-N 1 0 375.332 2.600 20 0 GFADRO O=S(=O)(NCC[NH2+][C@@H]1CCCC[C@H]1[C@H]1CCOC1)c1cccc(Cl)c1 ZINC000583178283 564879662 /nfs/dbraw/zinc/87/96/62/564879662.db2.gz HUVXTOIPKHYVMY-JCGIZDLHSA-N 1 0 386.945 2.803 20 0 GFADRO C[N@H+](CCNS(=O)(=O)c1ccccc1)CCc1cccc(Br)c1 ZINC000463422545 564880168 /nfs/dbraw/zinc/88/01/68/564880168.db2.gz BPWPVOIGTHWDJJ-UHFFFAOYSA-N 1 0 397.338 2.902 20 0 GFADRO CC[N@H+](C[C@@H](C)OC)[C@H](C)C(=O)Nc1cccc(I)c1 ZINC000463425829 564880633 /nfs/dbraw/zinc/88/06/33/564880633.db2.gz VQZXGMQWACRUQU-VXGBXAGGSA-N 1 0 390.265 2.975 20 0 GFADRO CN1CC[C@@](O)(C[NH2+][C@H]2CCCc3c4cc(Br)ccc4[nH]c32)C1 ZINC000583225928 564881632 /nfs/dbraw/zinc/88/16/32/564881632.db2.gz GYYOMRXPWFGNIZ-FUHWJXTLSA-N 1 0 378.314 2.964 20 0 GFADRO C[NH+](C)CC1CCN(S(=O)(=O)c2c(F)cccc2OC(F)(F)F)CC1 ZINC000557843238 564881911 /nfs/dbraw/zinc/88/19/11/564881911.db2.gz QELXTVADQGKDPK-UHFFFAOYSA-N 1 0 384.395 2.687 20 0 GFADRO Cc1ncc2n1C[C@H](C(=O)N[C@@H](CCO)c1ccccc1Br)CC2 ZINC000583269542 564883750 /nfs/dbraw/zinc/88/37/50/564883750.db2.gz XIWLYNNPIQJRMW-DYVFJYSZSA-N 1 0 392.297 2.756 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1CCC(=O)N[C@@H]1CN(c2ccc(Br)cc2)C1=O ZINC000557918084 564885585 /nfs/dbraw/zinc/88/55/85/564885585.db2.gz OCJPIPIQAWAAGZ-CZUORRHYSA-N 1 0 394.313 2.545 20 0 GFADRO C[NH2+]CCC1CCN(C(=O)[C@](N)(c2cccc(Cl)c2)C(F)(F)F)CC1 ZINC000583380614 564889387 /nfs/dbraw/zinc/88/93/87/564889387.db2.gz TUHXUGFRFXFEDP-MRXNPFEDSA-N 1 0 377.838 2.904 20 0 GFADRO CC(C)[N@H+](C)C[C@H](C)NC(=O)C(=O)Nc1ccc(Cl)c(Br)c1 ZINC000583411856 564890534 /nfs/dbraw/zinc/89/05/34/564890534.db2.gz FTPIJJRMQGJBHD-JTQLQIEISA-N 1 0 390.709 2.886 20 0 GFADRO C[N@@H+]1CCC[C@H]1CNC(=O)[C@H](c1ccc(Cl)cc1Cl)N1CCOCC1 ZINC000463810828 564891001 /nfs/dbraw/zinc/89/10/01/564891001.db2.gz KRXOSDARXQBVRA-YOEHRIQHSA-N 1 0 386.323 2.577 20 0 GFADRO O=C([C@@H](c1ccc(Br)cc1)N1CCCC1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000583439628 564891248 /nfs/dbraw/zinc/89/12/48/564891248.db2.gz DCFLHVPCILNQOD-FGTMMUONSA-N 1 0 392.341 2.939 20 0 GFADRO CC[C@@H]1C[N@H+](C)CCN1c1ncnc2cccc(I)c21 ZINC000583453502 564891827 /nfs/dbraw/zinc/89/18/27/564891827.db2.gz VNFPZFOAXGUFRW-LLVKDONJSA-N 1 0 382.249 2.765 20 0 GFADRO CC(C)CS(=O)(=O)CCC(=O)NC[C@@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000583445426 564892406 /nfs/dbraw/zinc/89/24/06/564892406.db2.gz LOASZNPTYMIAPK-INIZCTEOSA-N 1 0 388.961 2.562 20 0 GFADRO CC(C)[NH+]1CCC(N2CCN([C@H](C)c3ncc(Br)cn3)CC2)CC1 ZINC000558100582 564892863 /nfs/dbraw/zinc/89/28/63/564892863.db2.gz MXTJGVMKNIHBGH-OAHLLOKOSA-N 1 0 396.377 2.791 20 0 GFADRO C[NH+](C)[C@H]1CN(C(=O)C2(c3cc(C(F)(F)F)ccc3Cl)CC2)C[C@@H]1O ZINC000583533033 564895793 /nfs/dbraw/zinc/89/57/93/564895793.db2.gz CASNPBFETSCZRJ-KBPBESRZSA-N 1 0 376.806 2.524 20 0 GFADRO O=C(NCc1n[nH]cc1Br)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000530816735 564896018 /nfs/dbraw/zinc/89/60/18/564896018.db2.gz LEWDDRWWIJQLCF-MRXNPFEDSA-N 1 0 377.286 2.843 20 0 GFADRO CCO[C@H]1C[C@H]([NH2+][C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)C12CCC2 ZINC000558258075 564897064 /nfs/dbraw/zinc/89/70/64/564897064.db2.gz PBAWRHXVTQDUJO-PMPSAXMXSA-N 1 0 384.567 2.839 20 0 GFADRO CC(C)[N@@H+]1CC[C@H](CNC(=O)Cc2noc3ccc(Br)cc32)C1 ZINC000583559566 564897504 /nfs/dbraw/zinc/89/75/04/564897504.db2.gz BLCPVUUADICQMA-GFCCVEGCSA-N 1 0 380.286 2.979 20 0 GFADRO CCOc1c(Br)cc(C[NH2+][C@@H]2CCC[C@H]2C(=O)NC)cc1OC ZINC000498375981 564897537 /nfs/dbraw/zinc/89/75/37/564897537.db2.gz RTYYAPIQKFPKML-TZMCWYRMSA-N 1 0 385.302 2.861 20 0 GFADRO CC[NH+]1CCN(CCC(=O)Nc2nnc(-c3cccc(Cl)c3)s2)CC1 ZINC000531053235 564901133 /nfs/dbraw/zinc/90/11/33/564901133.db2.gz HXGWRWBZBYYJBJ-UHFFFAOYSA-N 1 0 379.917 2.825 20 0 GFADRO COC(=O)c1cc(Br)cc(NC(=O)N(C)CCC[NH+](C)C)c1C ZINC000583682713 564902142 /nfs/dbraw/zinc/90/21/42/564902142.db2.gz VTEXIEWXDQJGQT-UHFFFAOYSA-N 1 0 386.290 2.960 20 0 GFADRO CN(C)S(=O)(=O)N1CCC[N@H+](CCCSc2ccccc2Cl)CC1 ZINC000558476422 564902575 /nfs/dbraw/zinc/90/25/75/564902575.db2.gz OGBMLQPKSYSICZ-UHFFFAOYSA-N 1 0 391.990 2.636 20 0 GFADRO CCOC(=O)CSc1nnc(NC(=O)c2ccccc2C[NH+](C)C)s1 ZINC000498584699 564903385 /nfs/dbraw/zinc/90/33/85/564903385.db2.gz QKANQEYICCXBBZ-UHFFFAOYSA-N 1 0 380.495 2.507 20 0 GFADRO CC[N@H+](CCNC(=O)C(=O)Nc1cc(C)c(Br)cc1F)C(C)C ZINC000498661618 564905391 /nfs/dbraw/zinc/90/53/91/564905391.db2.gz WURGBQZXLJYXHX-UHFFFAOYSA-N 1 0 388.281 2.682 20 0 GFADRO C[C@H]1CC[N@H+](CCNC(=O)C(=O)Nc2cc(Cl)ccc2C(F)(F)F)C1 ZINC000558555090 564906337 /nfs/dbraw/zinc/90/63/37/564906337.db2.gz ASKLLKTYEPNIOP-JTQLQIEISA-N 1 0 377.794 2.755 20 0 GFADRO CCCC(=O)N1CSC[C@@H]1C(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000531306231 564906758 /nfs/dbraw/zinc/90/67/58/564906758.db2.gz KVYMDOLGCPDGIF-HZPDHXFCSA-N 1 0 383.945 2.761 20 0 GFADRO O=C(NCC1(c2cccc(Br)c2)CCOCC1)N1CCC[NH2+]CC1 ZINC000583801332 564907851 /nfs/dbraw/zinc/90/78/51/564907851.db2.gz RQZCBTGQAGXFTD-UHFFFAOYSA-N 1 0 396.329 2.502 20 0 GFADRO CSC1(CNC(=O)N2CCC[C@H](OCC(F)(F)F)C2)CC[NH+](C)CC1 ZINC000558618643 564909534 /nfs/dbraw/zinc/90/95/34/564909534.db2.gz YVGJSGISYXVYOU-ZDUSSCGKSA-N 1 0 383.480 2.567 20 0 GFADRO C[C@@H](C1CC[NH+](C)CC1)N(C)S(=O)(=O)c1cc(Br)ccc1F ZINC000498871744 564911210 /nfs/dbraw/zinc/91/12/10/564911210.db2.gz FEQVUACKIWWHKZ-NSHDSACASA-N 1 0 393.322 2.939 20 0 GFADRO COC(=O)C[C@]1([NH2+]CCOc2ccc(Cl)cc2Br)CCOC1 ZINC000464596836 564911333 /nfs/dbraw/zinc/91/13/33/564911333.db2.gz ZIOPWOAXCZBLIN-OAHLLOKOSA-N 1 0 392.677 2.793 20 0 GFADRO CCNC(=O)[C@@H]([NH2+]Cc1cc(Br)c2c(c1)OCCCO2)C(C)C ZINC000583885122 564911999 /nfs/dbraw/zinc/91/19/99/564911999.db2.gz AYGFGPPGNOGADU-HNNXBMFYSA-N 1 0 385.302 2.861 20 0 GFADRO CC1CC[NH+](CCN2CCNC(=O)[C@@H]2c2cccc(Br)c2)CC1 ZINC000498907140 564912598 /nfs/dbraw/zinc/91/25/98/564912598.db2.gz ZWXADCSGVLGBJK-KRWDZBQOSA-N 1 0 380.330 2.654 20 0 GFADRO C[NH+](C)[C@H]1CCCN(C(=O)C(=O)Nc2cc(Cl)ccc2C(F)(F)F)C1 ZINC000499021083 564915962 /nfs/dbraw/zinc/91/59/62/564915962.db2.gz UKBPIQSMMNCPLL-NSHDSACASA-N 1 0 377.794 2.850 20 0 GFADRO Cn1nccc1CC[NH+]1CCN(Cc2ccc(Br)c(F)c2)CC1 ZINC000558832768 564915997 /nfs/dbraw/zinc/91/59/97/564915997.db2.gz NBOCRRIQLVJBSJ-UHFFFAOYSA-N 1 0 381.293 2.682 20 0 GFADRO O=S(=O)(c1ccc(OC(F)F)c(Cl)c1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000583994032 564916351 /nfs/dbraw/zinc/91/63/51/564916351.db2.gz IUUCLBGQKHTEKX-GFCCVEGCSA-N 1 0 394.871 2.952 20 0 GFADRO [NH3+]CCCN(CC1CCCC1)C(=O)c1cc(I)c[nH]1 ZINC000584051923 564918026 /nfs/dbraw/zinc/91/80/26/564918026.db2.gz AEAOHVGVIPKCGP-UHFFFAOYSA-N 1 0 375.254 2.601 20 0 GFADRO CCN(CC)C(=O)C[C@H](C)[NH2+]CCCNC(=O)c1ccc(Br)cc1 ZINC000531708135 564918098 /nfs/dbraw/zinc/91/80/98/564918098.db2.gz WWDORIGRCDESBX-AWEZNQCLSA-N 1 0 398.345 2.806 20 0 GFADRO C[NH+]1CCC(CCO)(NC(=O)c2cc3ccc(Br)cc3[nH]2)CC1 ZINC000499122872 564918268 /nfs/dbraw/zinc/91/82/68/564918268.db2.gz DJVNYJMSLIQNOQ-UHFFFAOYSA-N 1 0 380.286 2.507 20 0 GFADRO Cc1cc(CCC(=O)NC2(CCO)CC[NH+](C)CC2)ccc1Br ZINC000499115075 564918422 /nfs/dbraw/zinc/91/84/22/564918422.db2.gz HDSBNTANNAQBFS-UHFFFAOYSA-N 1 0 383.330 2.653 20 0 GFADRO C[C@@H]1CN(c2ncnc3ccc(I)cc32)C[C@H](C)[N@H+]1C ZINC000558962802 564919257 /nfs/dbraw/zinc/91/92/57/564919257.db2.gz IUBBLFHUSLYEMI-PHIMTYICSA-N 1 0 382.249 2.763 20 0 GFADRO O=C(Nc1cccc(Br)c1Cl)C(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000559014026 564920170 /nfs/dbraw/zinc/92/01/70/564920170.db2.gz DCYPNXGWYCVIBW-NSHDSACASA-N 1 0 398.688 2.514 20 0 GFADRO C[N@@H+]1CCC[C@@]2(CCN(S(=O)(=O)c3ccccc3OC(F)(F)F)C2)C1 ZINC000559131545 564923026 /nfs/dbraw/zinc/92/30/26/564923026.db2.gz KZNFKGABEOFITF-OAHLLOKOSA-N 1 0 378.416 2.692 20 0 GFADRO C[C@H](CNC(=O)C(=O)Nc1ccc(Cl)c(Br)c1)[NH+]1CCCC1 ZINC000532040365 564926661 /nfs/dbraw/zinc/92/66/61/564926661.db2.gz ZFYSLSKKWVCMBC-SNVBAGLBSA-N 1 0 388.693 2.642 20 0 GFADRO COCCNS(=O)(=O)c1ccc(C[NH2+]Cc2cc(C)cc(Cl)c2)cc1 ZINC000559252852 564927465 /nfs/dbraw/zinc/92/74/65/564927465.db2.gz PRLAULMAYKSHHP-UHFFFAOYSA-N 1 0 382.913 2.863 20 0 GFADRO C[N@@H+]1CCC[C@]2(CCN(C[C@@H](O)COc3ccc(Br)cc3)C2)C1 ZINC000559312054 564929288 /nfs/dbraw/zinc/92/92/88/564929288.db2.gz NUWZJPRQEWOIRE-AEFFLSMTSA-N 1 0 383.330 2.607 20 0 GFADRO C[C@@H](CNC(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1)Oc1ccc(Br)cc1 ZINC000465683822 564930661 /nfs/dbraw/zinc/93/06/61/564930661.db2.gz AOFMMNRSVVERIP-KBPBESRZSA-N 1 0 396.329 3.000 20 0 GFADRO C[C@@H](CNC(=O)NC[C@H]1CC[N@@H+](C2CC2)C1)Oc1cccc(Br)c1 ZINC000465688927 564930720 /nfs/dbraw/zinc/93/07/20/564930720.db2.gz JXFTZNDVGDXOGW-UONOGXRCSA-N 1 0 396.329 3.000 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)C(=O)Nc2ccc(Cl)c(Br)c2)CC[N@@H+]1C ZINC000532297194 564934264 /nfs/dbraw/zinc/93/42/64/564934264.db2.gz GGOCWDBLCHWQIA-MWLCHTKSSA-N 1 0 388.693 2.640 20 0 GFADRO CCO[C@@H](CC[NH+](C)C)CNC(=O)Nc1ccc(OC)c(Br)c1 ZINC000532293160 564934377 /nfs/dbraw/zinc/93/43/77/564934377.db2.gz NUGNDSAQNPQGSG-ZDUSSCGKSA-N 1 0 388.306 2.936 20 0 GFADRO CCN(Cc1cccc(Br)c1)C(=O)NCC[N@H+](C)CCCOC ZINC000466080353 564934835 /nfs/dbraw/zinc/93/48/35/564934835.db2.gz YKAUEIDKMKIPGH-UHFFFAOYSA-N 1 0 386.334 2.949 20 0 GFADRO COCC[NH+]1CCC(NC(=O)N[C@@H]2C[C@H]2c2cccc(Br)c2)CC1 ZINC000559523608 564934983 /nfs/dbraw/zinc/93/49/83/564934983.db2.gz ATBHVRWDTIMJEY-DLBZAZTESA-N 1 0 396.329 2.715 20 0 GFADRO COCC[N@H+](C)CCCNC(=O)N1Cc2cc(Br)ccc2C[C@H]1C ZINC000499801523 564937276 /nfs/dbraw/zinc/93/72/76/564937276.db2.gz UNBHCTQENAYWQV-CQSZACIVSA-N 1 0 398.345 2.874 20 0 GFADRO CN(Cc1cc(Br)cs1)C(=O)CN(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000532414947 564937778 /nfs/dbraw/zinc/93/77/78/564937778.db2.gz OYTWKVTWRQQXGX-CQSZACIVSA-N 1 0 386.359 2.638 20 0 GFADRO COC(=O)c1cccc(NC(=O)N2CC[N@H+](C)CC[C@@H]2C)c1Br ZINC000499830017 564937855 /nfs/dbraw/zinc/93/78/55/564937855.db2.gz WBAKLDFFSMZCNX-NSHDSACASA-N 1 0 384.274 2.794 20 0 GFADRO CC[C@H]1CN(C(=O)C(=O)NC[C@H](c2ccsc2)[NH+](CC)CC)CCS1 ZINC000559748100 564939542 /nfs/dbraw/zinc/93/95/42/564939542.db2.gz BVCNCJDZTGUAKU-JKSUJKDBSA-N 1 0 383.583 2.601 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NCc2c(Cl)cccc2Cl)[C@H](C)C1 ZINC000559800164 564940559 /nfs/dbraw/zinc/94/05/59/564940559.db2.gz DLVYMTOLWODMLL-WBMJQRKESA-N 1 0 386.323 2.798 20 0 GFADRO O=C(NCc1c(Cl)cccc1Cl)C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000559800743 564940801 /nfs/dbraw/zinc/94/08/01/564940801.db2.gz JTLZVSNDOWYPEP-LBPRGKRZSA-N 1 0 384.307 2.743 20 0 GFADRO C[C@@H]([NH2+]C[C@@H](O)COCc1cccs1)C1CCN(CC(F)(F)F)CC1 ZINC000559792210 564940811 /nfs/dbraw/zinc/94/08/11/564940811.db2.gz GRDKHTBHXNNOBU-UKRRQHHQSA-N 1 0 380.476 2.878 20 0 GFADRO CC(C)(C)[NH2+]CCNC(=O)C(=O)Nc1cc(F)c(Br)c(Cl)c1 ZINC000500009428 564942388 /nfs/dbraw/zinc/94/23/88/564942388.db2.gz SDRVCOJWCKOHFY-UHFFFAOYSA-N 1 0 394.672 2.684 20 0 GFADRO C[C@@H]1CC[N@H+](C)CCN1C(=O)C(=O)Nc1cc(Cl)ccc1C(F)(F)F ZINC000500030047 564943363 /nfs/dbraw/zinc/94/33/63/564943363.db2.gz BIFYJJJRVRPDPO-SNVBAGLBSA-N 1 0 377.794 2.850 20 0 GFADRO CC[NH+](CC)[C@@H](CNS(=O)(=O)c1ccsc1C(=O)OC)CC(C)C ZINC000532768971 564945119 /nfs/dbraw/zinc/94/51/19/564945119.db2.gz BFEFCCYSWHQPGV-CYBMUJFWSA-N 1 0 376.544 2.570 20 0 GFADRO O=S(=O)(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1cc(Cl)ccc1F ZINC000560041715 564946193 /nfs/dbraw/zinc/94/61/93/564946193.db2.gz MRJKDMTYMRKFEH-HZPDHXFCSA-N 1 0 390.908 2.525 20 0 GFADRO Cc1ncc(S(=O)(=O)N[C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)s1 ZINC000532853768 564947456 /nfs/dbraw/zinc/94/74/56/564947456.db2.gz AYGXWOBWZGEAAN-UOIKSKOESA-N 1 0 379.551 2.886 20 0 GFADRO CN(C)[C@]1(C[NH2+]Cc2cccc(I)c2)CCSC1 ZINC000560077804 564948510 /nfs/dbraw/zinc/94/85/10/564948510.db2.gz ODVBCFFPXPZHHU-AWEZNQCLSA-N 1 0 376.307 2.818 20 0 GFADRO OC[C@@H]([NH2+]Cc1ccc(I)cc1Cl)[C@@H]1CCCO1 ZINC000500372151 564951105 /nfs/dbraw/zinc/95/11/05/564951105.db2.gz UMAWEMHCPRPUAD-OLZOCXBDSA-N 1 0 381.641 2.574 20 0 GFADRO C[C@H]1C[C@@H]1[N@@H+]1CCN(C(=O)C(=O)Nc2ccccc2Br)C[C@@H](C)C1 ZINC000560146280 564951494 /nfs/dbraw/zinc/95/14/94/564951494.db2.gz SBWQSJJIWYZQRB-XEZPLFJOSA-N 1 0 394.313 2.576 20 0 GFADRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1cnn(-c2cccc(Br)c2)c1 ZINC000467048146 564954746 /nfs/dbraw/zinc/95/47/46/564954746.db2.gz RZYALYHFXRSBJJ-PXAZEXFGSA-N 1 0 389.297 2.847 20 0 GFADRO Cc1cc(C[NH2+][C@H]2CCC[C@H]2CNS(C)(=O)=O)c(OC(F)F)cc1C ZINC000500492909 564955286 /nfs/dbraw/zinc/95/52/86/564955286.db2.gz CIXIGMFMMVEHIZ-ZFWWWQNUSA-N 1 0 376.469 2.712 20 0 GFADRO C[N@@H+]1CCC[C@H](CNS(=O)(=O)c2cc(Br)sc2Cl)C1 ZINC000533228955 564958413 /nfs/dbraw/zinc/95/84/13/564958413.db2.gz PGRSHAGASGBWGN-MRVPVSSYSA-N 1 0 387.752 2.784 20 0 GFADRO Cc1cc(I)ccc1NC(=O)C[N@@H+](C)C1CCOCC1 ZINC000533308397 564960661 /nfs/dbraw/zinc/96/06/61/564960661.db2.gz JJRZIPBUTZXJBD-UHFFFAOYSA-N 1 0 388.249 2.649 20 0 GFADRO C[C@@H](C[NH2+]C1(c2cccc(Br)c2)CCOCC1)CS(C)(=O)=O ZINC000533348983 564961236 /nfs/dbraw/zinc/96/12/36/564961236.db2.gz QOJKOKGJTJPJLL-ZDUSSCGKSA-N 1 0 390.343 2.725 20 0 GFADRO C[NH+](C)[C@]1(CNC(=O)N2CCO[C@@H](c3cccc(Cl)c3)C2)CCSC1 ZINC000467470885 564964318 /nfs/dbraw/zinc/96/43/18/564964318.db2.gz ZYASRTAYQHLZSC-AEFFLSMTSA-N 1 0 383.945 2.860 20 0 GFADRO CC(C)[C@H](Oc1ccccc1Br)C(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000560483903 564964571 /nfs/dbraw/zinc/96/45/71/564964571.db2.gz ADAJADKLJGUJDU-KEYYUXOJSA-N 1 0 381.314 2.920 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)N1CC[C@@H]([NH3+])C[C@H]1C ZINC000560483922 564964810 /nfs/dbraw/zinc/96/48/10/564964810.db2.gz AWYRPBVMWRHYLF-RBSFLKMASA-N 1 0 384.567 2.689 20 0 GFADRO CC[C@@]1(C(=O)NC[C@H]2CCN(c3cccc(Br)c3)C2)CCC[NH2+]1 ZINC000467692160 564970179 /nfs/dbraw/zinc/97/01/79/564970179.db2.gz RMZSNFKOQLFZSB-KDOFPFPSSA-N 1 0 380.330 2.924 20 0 GFADRO Cc1ccc(I)c(C(=O)N2[C@@H]3CC[C@H]2CC[N@@H+](C)C3)c1 ZINC000560625551 564970759 /nfs/dbraw/zinc/97/07/59/564970759.db2.gz VJNKWGOUSYBAIQ-QWHCGFSZSA-N 1 0 384.261 2.908 20 0 GFADRO C[C@H]([NH2+]Cc1cn(-c2ccc(Cl)cc2Cl)nn1)[C@H](C)N1CCOCC1 ZINC000533753015 564971915 /nfs/dbraw/zinc/97/19/15/564971915.db2.gz RICKOBKCNUSICE-STQMWFEESA-N 1 0 384.311 2.773 20 0 GFADRO CC[NH+](CC)C[C@H](C)NC(=O)C[C@@H](NC(C)=O)c1ccc(Br)cc1 ZINC000501224525 564974015 /nfs/dbraw/zinc/97/40/15/564974015.db2.gz BTXWUDCJHARCOY-SUMWQHHRSA-N 1 0 398.345 2.863 20 0 GFADRO CCC[NH+](CCC)CCCNC(=O)c1cncc(I)c1 ZINC000533847165 564974422 /nfs/dbraw/zinc/97/44/22/564974422.db2.gz HAODFNGGCZZYMC-UHFFFAOYSA-N 1 0 389.281 2.928 20 0 GFADRO C[N@H+](CCCO)C1CCN(C(=O)CCc2cccc(Br)c2)CC1 ZINC000533991060 564977464 /nfs/dbraw/zinc/97/74/64/564977464.db2.gz GAHSXGYSHAGDAX-UHFFFAOYSA-N 1 0 383.330 2.687 20 0 GFADRO COc1ccc([C@H](C[NH+](C)C)NC(=O)c2c[nH]c(=O)c(Br)c2)cc1 ZINC000560842613 564977719 /nfs/dbraw/zinc/97/77/19/564977719.db2.gz APYSJFYLUOBGHF-HNNXBMFYSA-N 1 0 394.269 2.591 20 0 GFADRO COC(=O)C1CC[NH+](CCCNC(=O)c2ccc(Br)cc2C)CC1 ZINC000534068470 564978987 /nfs/dbraw/zinc/97/89/87/564978987.db2.gz JXJCCGVJFJJIDC-UHFFFAOYSA-N 1 0 397.313 2.762 20 0 GFADRO O=C(Nc1nnc(-c2c(F)cccc2Cl)s1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000561008665 564980925 /nfs/dbraw/zinc/98/09/25/564980925.db2.gz AWKVYRBZFJDLCZ-JTQLQIEISA-N 1 0 381.864 3.356 20 0 GFADRO CCN(C[C@H](O)C(F)(F)F)C(=O)[C@@H]1C[N@@H+](C(C)(C)C)C[C@H]1C(F)(F)F ZINC000501557123 564982854 /nfs/dbraw/zinc/98/28/54/564982854.db2.gz OKPDJKHKJOVYSO-MXWKQRLJSA-N 1 0 378.357 2.667 20 0 GFADRO CCc1n[nH]c(C(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)c1Br ZINC000468510603 564984969 /nfs/dbraw/zinc/98/49/69/564984969.db2.gz MGDQMHNNAJVKIB-ZDUSSCGKSA-N 1 0 383.265 2.906 20 0 GFADRO Cc1nc(-c2ccc(CCNC(=O)N3CC[C@@H]4C[NH2+]C[C@@H]4C3)s2)cs1 ZINC000561146543 564985353 /nfs/dbraw/zinc/98/53/53/564985353.db2.gz HASDWFSHHCDFSN-ZIAGYGMSSA-N 1 0 376.551 2.973 20 0 GFADRO CCC[N@H+](CCc1cccs1)Cc1cnn([C@]2(C)CCS(=O)(=O)C2)c1 ZINC000468542658 564985716 /nfs/dbraw/zinc/98/57/16/564985716.db2.gz LIZVPUSXRJRYQI-GOSISDBHSA-N 1 0 381.567 2.933 20 0 GFADRO C[C@H]([NH2+]Cc1cn(-c2cccc(Cl)c2Cl)nn1)[C@H](C)N1CCOCC1 ZINC000534355555 564987124 /nfs/dbraw/zinc/98/71/24/564987124.db2.gz XZSACOIWQFPZGQ-STQMWFEESA-N 1 0 384.311 2.773 20 0 GFADRO O=C(N[C@H]1COc2cc(F)c(Br)cc21)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000561198042 564987239 /nfs/dbraw/zinc/98/72/39/564987239.db2.gz PRRNKNGEUCZHFW-YOEHRIQHSA-N 1 0 398.276 2.807 20 0 GFADRO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCc1nc(-c2cccc(Br)c2)no1 ZINC000468629818 564988253 /nfs/dbraw/zinc/98/82/53/564988253.db2.gz NAOXACFULZTBCC-VXGBXAGGSA-N 1 0 393.285 2.988 20 0 GFADRO C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H](C)CCc1ccc(Br)cc1 ZINC000502034248 564990254 /nfs/dbraw/zinc/99/02/54/564990254.db2.gz SHPIWCCZYXYBFN-CABCVRRESA-N 1 0 383.330 2.855 20 0 GFADRO CC(C)(COc1ccc(C(F)(F)F)cn1)[NH2+]CC1(CS(C)(=O)=O)CC1 ZINC000502221297 564993889 /nfs/dbraw/zinc/99/38/89/564993889.db2.gz DCEHWQHCGILZPR-UHFFFAOYSA-N 1 0 380.432 2.672 20 0 GFADRO CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N[C@@H](C)c2cccc(Cl)c2Cl)C1 ZINC000502289265 564995844 /nfs/dbraw/zinc/99/58/44/564995844.db2.gz KUAZZTOQNAXEJF-QWHCGFSZSA-N 1 0 386.323 2.971 20 0 GFADRO C[C@@H](CNS(=O)(=O)Cc1ccccc1Br)[NH+]1CCC(C)CC1 ZINC000561501993 564996848 /nfs/dbraw/zinc/99/68/48/564996848.db2.gz KPIIVSAUXSTYBR-AWEZNQCLSA-N 1 0 389.359 2.989 20 0 GFADRO CC[NH+]1CCN(CC(=O)N(Cc2csc(Br)c2)C2CC2)CC1 ZINC000502379737 564997546 /nfs/dbraw/zinc/99/75/46/564997546.db2.gz XJJTUVQSCAHKRM-UHFFFAOYSA-N 1 0 386.359 2.639 20 0 GFADRO Cc1ccc(S(=O)(=O)NCC[NH2+][C@@H](C)c2cnn(C3CCCC3)c2)s1 ZINC000502409037 564997975 /nfs/dbraw/zinc/99/79/75/564997975.db2.gz WERRGQWMWAPJLV-AWEZNQCLSA-N 1 0 382.555 2.997 20 0 GFADRO C[C@@H]1C[C@@H](NS(=O)(=O)c2cc(Br)cc3cccnc32)CC[N@@H+]1C ZINC000561519293 564998593 /nfs/dbraw/zinc/99/85/93/564998593.db2.gz QGEIXSOGRORMMJ-RISCZKNCSA-N 1 0 398.326 2.758 20 0 GFADRO CC[NH+](CC)CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)CS(C)(=O)=O ZINC000502435658 564998829 /nfs/dbraw/zinc/99/88/29/564998829.db2.gz NQGBXAMVYNSEFG-UHFFFAOYSA-N 1 0 395.352 2.708 20 0 GFADRO CS[C@H]1CN(S(=O)(=O)Cc2cccc(C(F)(F)F)c2)C[C@@H]1[NH+](C)C ZINC000534907411 564999492 /nfs/dbraw/zinc/99/94/92/564999492.db2.gz SSTWGPAOAQLOAB-KBPBESRZSA-N 1 0 382.473 2.513 20 0 GFADRO O=C(C[NH2+][C@@H]1CCCC[C@H]1OC(F)F)NCCOc1ccc(Cl)cc1 ZINC000502508504 565000501 /nfs/dbraw/zinc/00/05/01/565000501.db2.gz JDCVZNXAHQNFAH-HUUCEWRRSA-N 1 0 376.831 2.975 20 0 GFADRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1S(=O)(=O)Cc1ccccc1Br ZINC000561543677 565000658 /nfs/dbraw/zinc/00/06/58/565000658.db2.gz NSAOLDCLVLSGIR-HIFRSBDPSA-N 1 0 387.343 2.838 20 0 GFADRO CN(C)c1cc(Br)cc(C(=O)Nc2ccnn2CC[NH+](C)C)c1 ZINC000561607461 565003789 /nfs/dbraw/zinc/00/37/89/565003789.db2.gz MMFORNCDOZGKIU-UHFFFAOYSA-N 1 0 380.290 2.526 20 0 GFADRO COc1ccc(CCC(=O)N(C)[C@H](C)CN2CCOCC2)cc1Br ZINC000469129100 565006118 /nfs/dbraw/zinc/00/61/18/565006118.db2.gz SAMOWOSLYPATBP-CQSZACIVSA-N 1 0 399.329 2.569 20 0 GFADRO CS(=O)(=O)[C@@H]1CCC[N@H+](C[C@@H](O)Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000502823090 565006397 /nfs/dbraw/zinc/00/63/97/565006397.db2.gz FABLUPRWCUFSFD-JKSUJKDBSA-N 1 0 379.444 2.508 20 0 GFADRO CSc1ccccc1NC(=O)CN(C)C(=O)C[N@@H+]1CCSCC[C@@H]1C ZINC000502845518 565006951 /nfs/dbraw/zinc/00/69/51/565006951.db2.gz VRPFMZFSFVSHLO-AWEZNQCLSA-N 1 0 381.567 2.633 20 0 GFADRO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)C[NH2+][C@@H]1CCC[C@H]1CCO ZINC000502867395 565007831 /nfs/dbraw/zinc/00/78/31/565007831.db2.gz CVAVXBNTXHPXBS-IINYFYTJSA-N 1 0 389.279 2.859 20 0 GFADRO Cc1cc(C(=O)NCCNc2cc[nH+]cc2)c2ccc(Br)cc2n1 ZINC000535258947 565009005 /nfs/dbraw/zinc/00/90/05/565009005.db2.gz ZEHBCDHAKIWUTP-UHFFFAOYSA-N 1 0 385.265 2.965 20 0 GFADRO CN(C)S(=O)(=O)N1CCCC[C@H]1C[NH2+]C1CC(c2ccc(Cl)cc2)C1 ZINC000561783483 565009769 /nfs/dbraw/zinc/00/97/69/565009769.db2.gz CZPSJOBHJRBNCB-VJFUWPCTSA-N 1 0 385.961 2.837 20 0 GFADRO CC[NH+](CC)CCN(CCOC)C(=O)[C@@H]1COc2ccc(Br)cc21 ZINC000535390879 565012233 /nfs/dbraw/zinc/01/22/33/565012233.db2.gz DXEQNGWOPFXRIG-MRXNPFEDSA-N 1 0 399.329 2.742 20 0 GFADRO CCC[N@@H+]1CCC[C@H]1C(=O)N(CCO)Cc1cc(Br)ccc1F ZINC000535413374 565012803 /nfs/dbraw/zinc/01/28/03/565012803.db2.gz LFACELYVSHMZMV-INIZCTEOSA-N 1 0 387.293 2.784 20 0 GFADRO COc1ccccc1NC(=O)C[C@@H](C)[NH2+]Cc1ccc(S(C)(=O)=O)s1 ZINC000469335896 565013835 /nfs/dbraw/zinc/01/38/35/565013835.db2.gz MNQRQFFRBHSTOF-GFCCVEGCSA-N 1 0 382.507 2.667 20 0 GFADRO Cc1ccc(C(=O)N[C@@H](CC(C)C)C(=O)NCC[NH+](C)C)c(Br)c1 ZINC000535498388 565014481 /nfs/dbraw/zinc/01/44/81/565014481.db2.gz CWJZDCYZZYFNBS-INIZCTEOSA-N 1 0 398.345 2.580 20 0 GFADRO CCO[C@@H]1C[C@H]([NH2+]Cc2cc3c(cc2Br)OCO3)[C@]12CCCO2 ZINC000562078921 565017824 /nfs/dbraw/zinc/01/78/24/565017824.db2.gz DCKNQBKMLDJYES-GVDBMIGSSA-N 1 0 384.270 2.994 20 0 GFADRO CSC[C@@H](CCO)NC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000562171668 565018480 /nfs/dbraw/zinc/01/84/80/565018480.db2.gz QAFYMDFNGQEYJJ-RHSMWYFYSA-N 1 0 385.961 2.890 20 0 GFADRO CN(C)S(=O)(=O)CCC[NH+]1CCC(c2ccc(Br)cc2)CC1 ZINC000503407759 565018599 /nfs/dbraw/zinc/01/85/99/565018599.db2.gz PBHJKXBLBGSHMB-UHFFFAOYSA-N 1 0 389.359 2.910 20 0 GFADRO O=C(COc1ccccc1Br)NCC1([NH+]2CCCC2)CCOCC1 ZINC000535723461 565018751 /nfs/dbraw/zinc/01/87/51/565018751.db2.gz BEBXAHRRCITLAK-UHFFFAOYSA-N 1 0 397.313 2.589 20 0 GFADRO CC[N@H+](CCOCCO)[C@@H]1CCCN(c2ccc(Br)c(C)c2)C1=O ZINC000503409752 565018839 /nfs/dbraw/zinc/01/88/39/565018839.db2.gz KVAOFSYREDASBA-QGZVFWFLSA-N 1 0 399.329 2.584 20 0 GFADRO CCOC[C@@H]([NH2+]CCS(=O)(=O)c1ccc(Br)cc1)C(C)C ZINC000503445333 565019140 /nfs/dbraw/zinc/01/91/40/565019140.db2.gz CRXHADHGUCYWRE-OAHLLOKOSA-N 1 0 378.332 2.874 20 0 GFADRO C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)C1(c2ccc(I)cc2)CC1 ZINC000503516743 565021835 /nfs/dbraw/zinc/02/18/35/565021835.db2.gz BQYAGUGJQHZYHW-STQMWFEESA-N 1 0 398.288 2.874 20 0 GFADRO Cc1cccc(Br)c1C(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000562246620 565021863 /nfs/dbraw/zinc/02/18/63/565021863.db2.gz IMOWMWXCULGSSJ-DOTOQJQBSA-N 1 0 394.357 2.856 20 0 GFADRO CCC[N@@H+]1CC[C@H](CNC(=O)N[C@@H](CO)c2ccc(Br)cc2)C1 ZINC000503645837 565024755 /nfs/dbraw/zinc/02/47/55/565024755.db2.gz WIGAOKZFQFCDAE-CJNGLKHVSA-N 1 0 384.318 2.514 20 0 GFADRO CCC[N@@H+]1CC[C@@H](CNC(=O)N[C@@H](CO)c2ccc(Br)cc2)C1 ZINC000503645835 565025003 /nfs/dbraw/zinc/02/50/03/565025003.db2.gz WIGAOKZFQFCDAE-BBRMVZONSA-N 1 0 384.318 2.514 20 0 GFADRO C[C@H](C[N@H+](C)CCN1CCCS1(=O)=O)Oc1ccc(Cl)c(Cl)c1 ZINC000469732872 565025172 /nfs/dbraw/zinc/02/51/72/565025172.db2.gz FWCUMACBBQZXKI-GFCCVEGCSA-N 1 0 381.325 2.728 20 0 GFADRO C[C@H]1CN(C(=O)c2cccc(Br)c2F)CCN1C1CC[NH+](C)CC1 ZINC000469738676 565025685 /nfs/dbraw/zinc/02/56/85/565025685.db2.gz YGFBNWOZRROZLB-ZDUSSCGKSA-N 1 0 398.320 2.829 20 0 GFADRO O=C(C[NH2+][C@H]1CC2CCC1CC2)NCC(=O)Nc1ccccc1Br ZINC000562414348 565029155 /nfs/dbraw/zinc/02/91/55/565029155.db2.gz REANJYAQUDLVLC-ZUEPYMLJSA-N 1 0 394.313 2.672 20 0 GFADRO C[C@H]([NH2+]CC1(OCCO)CCOCC1)c1ccc(Br)c(F)c1 ZINC000503855087 565029705 /nfs/dbraw/zinc/02/97/05/565029705.db2.gz JZECYXBUGHZDLN-LBPRGKRZSA-N 1 0 376.266 2.797 20 0 GFADRO C[C@H]1Cc2cc(S(=O)(=O)NCC3CC[NH+](C4CC4)CC3)cc(Cl)c2O1 ZINC000562546993 565032887 /nfs/dbraw/zinc/03/28/87/565032887.db2.gz DPHVEBKXKNNISG-LBPRGKRZSA-N 1 0 384.929 2.816 20 0 GFADRO CC1CC[NH+](CCNC(=O)N[C@H](CO)c2ccc(Br)cc2)CC1 ZINC000504081873 565034776 /nfs/dbraw/zinc/03/47/76/565034776.db2.gz TYZDMOZUBWADKU-MRXNPFEDSA-N 1 0 384.318 2.514 20 0 GFADRO C[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2CC(=O)Nc3ccc(Br)cc32)CC1 ZINC000469994304 565034783 /nfs/dbraw/zinc/03/47/83/565034783.db2.gz SRGNDJYYLSLDHB-DZGCQCFKSA-N 1 0 394.313 2.818 20 0 GFADRO COC(=O)[C@@H]1CC[N@H+](CC(=O)N[C@H](C)c2ccc(Br)cc2)[C@H]1C ZINC000470005086 565035025 /nfs/dbraw/zinc/03/50/25/565035025.db2.gz WIWANMZSOJDBMQ-TYNCELHUSA-N 1 0 383.286 2.510 20 0 GFADRO COc1c(Cl)cc(Cl)cc1CN1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000470009884 565035589 /nfs/dbraw/zinc/03/55/89/565035589.db2.gz VDTVSEVRWKFJPI-CYBMUJFWSA-N 1 0 386.323 2.646 20 0 GFADRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N[C@H](CO)c1ccc(Br)cc1 ZINC000504111814 565035792 /nfs/dbraw/zinc/03/57/92/565035792.db2.gz RACSSIJZFAQJSG-JKIFEVAISA-N 1 0 398.345 2.902 20 0 GFADRO C[C@H](CO)[N@@H+]1CCCN(C(=O)CCC(=O)c2cc(Cl)sc2Cl)CC1 ZINC000470047273 565036396 /nfs/dbraw/zinc/03/63/96/565036396.db2.gz SBDJSAUTQFSZRZ-LLVKDONJSA-N 1 0 393.336 2.933 20 0 GFADRO C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N1CCC[N@@H+]([C@@H](C)CO)CC1 ZINC000470063713 565036413 /nfs/dbraw/zinc/03/64/13/565036413.db2.gz AAJLUVHPSRQNPT-QWHCGFSZSA-N 1 0 375.296 2.676 20 0 GFADRO C[C@@H]1C[N@H+](CCCNC(=O)COc2cc(Cl)ccc2Cl)CCCO1 ZINC000470092695 565037936 /nfs/dbraw/zinc/03/79/36/565037936.db2.gz MCIHGWCLLRHDIC-CYBMUJFWSA-N 1 0 375.296 2.989 20 0 GFADRO O=C(Nc1nc(Cc2ccccc2Br)cs1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000562760635 565041291 /nfs/dbraw/zinc/04/12/91/565041291.db2.gz BOGBANNDGLDWLF-IMRBUKKESA-N 1 0 393.310 2.836 20 0 GFADRO COc1ccc(CC[NH2+]C[C@H](C)c2cccc(Cl)c2)cc1S(N)(=O)=O ZINC000470354926 565044102 /nfs/dbraw/zinc/04/41/02/565044102.db2.gz MLSNZYGNEUBJED-ZDUSSCGKSA-N 1 0 382.913 2.932 20 0 GFADRO NS(=O)(=O)C[C@H]1CCC[N@@H+]1Cc1ccc(-c2cccc(Br)c2)o1 ZINC000536673928 565044580 /nfs/dbraw/zinc/04/45/80/565044580.db2.gz DOOSRPHDTFYVHW-CQSZACIVSA-N 1 0 399.310 2.962 20 0 GFADRO Cc1ccccc1[C@H]([C@@H](C)NC(=O)c1nn(C)cc1Br)[NH+](C)C ZINC000504991723 565048079 /nfs/dbraw/zinc/04/80/79/565048079.db2.gz NUWKHJGFLAIJFP-WBMJQRKESA-N 1 0 379.302 2.912 20 0 GFADRO COCC[C@H](Cc1cccc(Br)c1)C(=O)N1CC[C@H]([NH3+])C[C@@H]1C ZINC000562971704 565049972 /nfs/dbraw/zinc/04/99/72/565049972.db2.gz UVDQPTMATPHRHQ-LXZKKBNFSA-N 1 0 383.330 2.983 20 0 GFADRO CO[C@@H]1CCN(C(=O)CSCc2cc(-c3cccs3)on2)[C@@H](C[NH3+])C1 ZINC000562977297 565050794 /nfs/dbraw/zinc/05/07/94/565050794.db2.gz FAERKTFNSXXTFE-ZIAGYGMSSA-N 1 0 381.523 2.601 20 0 GFADRO CN(C(=O)Cn1cc(Br)cn1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000470684369 565053008 /nfs/dbraw/zinc/05/30/08/565053008.db2.gz UAKBANAEGIXOOH-KRWDZBQOSA-N 1 0 391.313 2.769 20 0 GFADRO CC(C)[N@@H+]1CCC[C@@H](NC(=O)CCNC(=O)c2ccc(Br)cc2)C1 ZINC000470678781 565053162 /nfs/dbraw/zinc/05/31/62/565053162.db2.gz RFCOKQREACNZMR-MRXNPFEDSA-N 1 0 396.329 2.558 20 0 GFADRO CC[C@H](c1ccc(Br)cc1)N1CCN(C(=O)C2([NH3+])CCC2)CC1 ZINC000563073943 565054889 /nfs/dbraw/zinc/05/48/89/565054889.db2.gz ZGBMUZYOZZZCMY-MRXNPFEDSA-N 1 0 380.330 2.926 20 0 GFADRO Cc1sc2nc(C)nc(SCC(=O)N3CC[C@H]4C[NH2+]C[C@H]4C3)c2c1C ZINC000563089213 565055481 /nfs/dbraw/zinc/05/54/81/565055481.db2.gz ZORFPHUWJMYHSY-KBPBESRZSA-N 1 0 376.551 2.777 20 0 GFADRO Cc1cc([C@@H]2CCCN2C(=O)CNC(=O)[C@@H]([NH3+])C(C)C)ccc1Br ZINC000563160878 565057320 /nfs/dbraw/zinc/05/73/20/565057320.db2.gz VGBOIIHTEGHDDR-RDJZCZTQSA-N 1 0 396.329 2.521 20 0 GFADRO CC[N@@H+]1C[C@@H](C)N(C(=O)c2cccnc2-n2cc(Br)cn2)C[C@@H]1C ZINC000563154808 565057498 /nfs/dbraw/zinc/05/74/98/565057498.db2.gz MMDBWVVKSQHRJS-QWHCGFSZSA-N 1 0 392.301 2.585 20 0 GFADRO CCC[C@H]([NH2+][C@@H](C)C(=O)NC[C@@H]1CCS(=O)(=O)C1)c1ccc(Cl)cc1 ZINC000537422718 565058181 /nfs/dbraw/zinc/05/81/81/565058181.db2.gz KWHOPAVVYVJGIO-ZQIUZPCESA-N 1 0 386.945 2.710 20 0 GFADRO O=C1C[C@]2(CN1)CCC[N@@H+](CC1=Cc3cc(Br)ccc3OC1)C2 ZINC000537635463 565060549 /nfs/dbraw/zinc/06/05/49/565060549.db2.gz WDNDAFWEMLLGGL-SFHVURJKSA-N 1 0 377.282 2.827 20 0 GFADRO COc1c(Cl)cc(Cl)cc1CN1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000537661854 565061152 /nfs/dbraw/zinc/06/11/52/565061152.db2.gz VVWMXXSJXNVRIR-MRXNPFEDSA-N 1 0 386.323 2.740 20 0 GFADRO NC(=O)N[C@@H]1CC[N@H+](Cc2cnc(-c3ccc(Br)cc3)s2)C1 ZINC000537696279 565061805 /nfs/dbraw/zinc/06/18/05/565061805.db2.gz GAGFWKJWVLEDBA-GFCCVEGCSA-N 1 0 381.299 2.815 20 0 GFADRO CC[NH+](CC)CC[C@H](CO)NC(=O)CCc1ccc(Br)c(C)c1 ZINC000537718529 565062052 /nfs/dbraw/zinc/06/20/52/565062052.db2.gz QUHXYAMFUNWKOS-MRXNPFEDSA-N 1 0 385.346 2.899 20 0 GFADRO C[C@H]1[NH2+]CC[C@H]1C(=O)NC1CCN(Cc2ccc(Br)cc2)CC1 ZINC000584349436 565076618 /nfs/dbraw/zinc/07/66/18/565076618.db2.gz VBZITOXPZLVCOO-CXAGYDPISA-N 1 0 380.330 2.528 20 0 GFADRO C[C@@H]1C[C@H]([NH2+]C[C@H](O)COc2ccc(Cl)cc2Br)CCO1 ZINC000584345887 565076698 /nfs/dbraw/zinc/07/66/98/565076698.db2.gz GTDPOEDXPSPGSB-RTXFEEFZSA-N 1 0 378.694 2.999 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)[C@H]1CCN(c2cc(Cl)ccc2Cl)C1=O ZINC000613659107 565076988 /nfs/dbraw/zinc/07/69/88/565076988.db2.gz GEOWGZQOIMHNOI-BPLDGKMQSA-N 1 0 384.307 2.945 20 0 GFADRO Cc1nn(C)c(C[NH2+]CCCc2ccc3c(c2)OCCO3)c1Br ZINC000584390717 565078396 /nfs/dbraw/zinc/07/83/96/565078396.db2.gz MIIPPBGYELVPHH-UHFFFAOYSA-N 1 0 380.286 2.985 20 0 GFADRO C[C@H]([NH2+][C@H]1CCC(F)(F)C1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000684677697 565079140 /nfs/dbraw/zinc/07/91/40/565079140.db2.gz CUWJWBGYXAOYTF-WPRPVWTQSA-N 1 0 383.258 2.935 20 0 GFADRO CSc1nnc(CNC(=O)[C@H]2CCC[N@H+](CCc3ccccc3)C2)s1 ZINC000613810005 565081883 /nfs/dbraw/zinc/08/18/83/565081883.db2.gz IVCBSVLKZZFPSM-HNNXBMFYSA-N 1 0 376.551 2.831 20 0 GFADRO C[NH+]1CCN(Cc2ccc(CNC(=O)c3coc(Br)c3)cc2)CC1 ZINC000613843186 565082686 /nfs/dbraw/zinc/08/26/86/565082686.db2.gz SZZXIDOKVQXVJJ-UHFFFAOYSA-N 1 0 392.297 2.720 20 0 GFADRO O=C(Nc1ccc(Cl)c(Br)c1)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000584470781 565083013 /nfs/dbraw/zinc/08/30/13/565083013.db2.gz IROXNXZHGBZPLH-SNVBAGLBSA-N 1 0 384.665 2.698 20 0 GFADRO C[C@@]1(C(=O)NCc2cc(Cl)cc(I)c2)CCC[NH2+]C1 ZINC000584470908 565083165 /nfs/dbraw/zinc/08/31/65/565083165.db2.gz OQGLOVIMMQLOKA-CQSZACIVSA-N 1 0 392.668 2.951 20 0 GFADRO O=c1cc(C[N@@H+]2CCC[C@@H](c3cc[nH]n3)C2)nc2ccc(Br)cn12 ZINC000613885773 565085138 /nfs/dbraw/zinc/08/51/38/565085138.db2.gz SMAJSPLFHBFMMM-GFCCVEGCSA-N 1 0 388.269 2.560 20 0 GFADRO O=C(C[C@@H]1Sc2ccc(Cl)cc2NC1=O)NCC12CCC[NH+]1CCC2 ZINC000684848009 565085181 /nfs/dbraw/zinc/08/51/81/565085181.db2.gz RWXADZGFMPIIGK-HNNXBMFYSA-N 1 0 379.913 2.888 20 0 GFADRO CS[C@H]1CN(c2nc(N(C)C)cc(C(F)(F)F)n2)C[C@H]1[NH+]1CCCC1 ZINC000613916441 565085517 /nfs/dbraw/zinc/08/55/17/565085517.db2.gz QWGICWOOKSTBNT-NEPJUHHUSA-N 1 0 375.464 2.577 20 0 GFADRO O=S(=O)(N[C@@H]1CC[N@H+](CC2CC2)C1)c1ccc(Cl)cc1Br ZINC000684908034 565087490 /nfs/dbraw/zinc/08/74/90/565087490.db2.gz ULAYZRBBNDWZDJ-GFCCVEGCSA-N 1 0 393.734 2.865 20 0 GFADRO C[NH+]1CCC2(CC1)CN(C(=O)c1cc(F)c(Cl)c(N)c1Cl)CCO2 ZINC000636112485 565091611 /nfs/dbraw/zinc/09/16/11/565091611.db2.gz VQEHTDWLDPTJGP-UHFFFAOYSA-N 1 0 376.259 2.652 20 0 GFADRO CCS(=O)(=O)c1ccc(C[NH2+]C[C@H](O)COc2ccc(Cl)cc2)s1 ZINC000584715744 565093667 /nfs/dbraw/zinc/09/36/67/565093667.db2.gz BLMGYYZWSNTGRV-ZDUSSCGKSA-N 1 0 389.926 2.725 20 0 GFADRO CCc1nnc(S[C@H](C)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC000657272705 565094195 /nfs/dbraw/zinc/09/41/95/565094195.db2.gz MRXMTXNYDYBCGF-HIFRSBDPSA-N 1 0 376.551 2.972 20 0 GFADRO CNC(=O)COc1cccc(C[NH2+]Cc2cncc(Br)c2C)c1 ZINC000657317365 565096063 /nfs/dbraw/zinc/09/60/63/565096063.db2.gz WTJNGGTXDXNTEM-UHFFFAOYSA-N 1 0 378.270 2.567 20 0 GFADRO CC[C@@H]1C[C@H]([NH2+]CCCNC(=O)c2cc(OC)ccc2Br)CO1 ZINC000657357460 565100080 /nfs/dbraw/zinc/10/00/80/565100080.db2.gz CXMXTRZWCPLWAL-QWHCGFSZSA-N 1 0 385.302 2.735 20 0 GFADRO OC[C@H](C[NH2+]Cc1cnn2c1CCC2)Cc1ccc(F)c(Br)c1 ZINC000657484984 565102690 /nfs/dbraw/zinc/10/26/90/565102690.db2.gz HXAXOTSDFYQCPZ-ZDUSSCGKSA-N 1 0 382.277 2.672 20 0 GFADRO COc1c(Br)cccc1C[NH2+]CCC1(CS(C)(=O)=O)CC1 ZINC000657547108 565107209 /nfs/dbraw/zinc/10/72/09/565107209.db2.gz DDZXLGBLCUWSRJ-UHFFFAOYSA-N 1 0 376.316 2.762 20 0 GFADRO COC[C@@H](CC[NH2+]Cc1c(Br)cncc1Br)OC ZINC000657555274 565107398 /nfs/dbraw/zinc/10/73/98/565107398.db2.gz UJAKAOLWSPQKKG-SECBINFHSA-N 1 0 382.096 2.748 20 0 GFADRO CO[C@@H]1CCC[C@@H]([NH2+]CC(=O)Nc2ccc(I)cc2)C1 ZINC000585743348 565109587 /nfs/dbraw/zinc/10/95/87/565109587.db2.gz MTUIJLABJLAKQN-ZIAGYGMSSA-N 1 0 388.249 2.777 20 0 GFADRO CO[C@@H]1CCC[C@H]([C@@H](CO)[NH2+]Cc2cc3c(c(Br)c2)OCO3)C1 ZINC000657575457 565109908 /nfs/dbraw/zinc/10/99/08/565109908.db2.gz BOTQWVJECPYTJC-GZBFAFLISA-N 1 0 386.286 2.834 20 0 GFADRO O=C(N[C@H]1CC[N@@H+](C2CC2)C1)[C@]12CCC(=O)N1c1cc(Cl)ccc1S2 ZINC000586764620 565115021 /nfs/dbraw/zinc/11/50/21/565115021.db2.gz SARPSKNZZYDZCS-KPZWWZAWSA-N 1 0 377.897 2.622 20 0 GFADRO O=C(NC[C@@H]1C[N@@H+]2CCN1CCC2)c1cnc(-c2ccccc2Cl)s1 ZINC000614507185 565116604 /nfs/dbraw/zinc/11/66/04/565116604.db2.gz NWBOUQOWVKAFMS-CYBMUJFWSA-N 1 0 376.913 2.583 20 0 GFADRO O=C(C1CCCC1)N1CC[C@H]([NH2+]Cc2cn3ccc(Br)cc3n2)C1 ZINC000685618125 565117032 /nfs/dbraw/zinc/11/70/32/565117032.db2.gz LYVIDCCUZDOQSE-HNNXBMFYSA-N 1 0 391.313 2.978 20 0 GFADRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1cc(Br)cc2c1OCCO2 ZINC000614725034 565130799 /nfs/dbraw/zinc/13/07/99/565130799.db2.gz PKAPASCCEZEDNR-JSGCOSHPSA-N 1 0 395.297 2.919 20 0 GFADRO C[N@@H+]1CCN(Cc2ccccc2)[C@@H](CNCc2ccc(Br)cn2)C1 ZINC000657802321 565131369 /nfs/dbraw/zinc/13/13/69/565131369.db2.gz YJJSYZPLKUTPLH-IBGZPJMESA-N 1 0 389.341 2.750 20 0 GFADRO CNC(=O)CN1CCC([NH2+][C@@H](Cc2ccc(Br)cc2)C(C)C)CC1 ZINC000657836955 565132614 /nfs/dbraw/zinc/13/26/14/565132614.db2.gz YKHYEVKLSXXBIS-SFHVURJKSA-N 1 0 396.373 2.816 20 0 GFADRO C[NH+](C)C1CCN(CCNC(=O)NCc2csc(C(F)(F)F)c2)CC1 ZINC000636988521 565133769 /nfs/dbraw/zinc/13/37/69/565133769.db2.gz VYGOQEWGHMKFKQ-UHFFFAOYSA-N 1 0 378.464 2.592 20 0 GFADRO Cc1c(F)c(Br)ccc1NC(=O)C(=O)N[C@H](C)C1=CC[N@H+](C)CC1 ZINC000657876342 565135315 /nfs/dbraw/zinc/13/53/15/565135315.db2.gz XCEPAMGIPSNEIA-LLVKDONJSA-N 1 0 398.276 2.602 20 0 GFADRO C[C@@H](CNS(=O)(=O)c1cc2c(cc1Cl)OCCO2)[N@@H+]1CCCC[C@H]1C ZINC000588678244 565136713 /nfs/dbraw/zinc/13/67/13/565136713.db2.gz NLVDTLXTSYPTQX-OLZOCXBDSA-N 1 0 388.917 2.652 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)c1ccc(-n2cc(Br)cn2)cc1)C1CC1 ZINC000614906669 565137805 /nfs/dbraw/zinc/13/78/05/565137805.db2.gz AWUAJOPRNLRUJF-INIZCTEOSA-N 1 0 377.286 2.705 20 0 GFADRO CC(C)[N@H+](C)C[C@H](C)NC(=O)C(=O)Nc1ccc(F)c(Br)c1F ZINC000657960484 565140481 /nfs/dbraw/zinc/14/04/81/565140481.db2.gz GOBQVDQIAVTFOA-VIFPVBQESA-N 1 0 392.244 2.511 20 0 GFADRO C[C@H](Cn1cncn1)[NH2+][C@@H](C)c1ccc(Br)cc1OCCCO ZINC000658018275 565145686 /nfs/dbraw/zinc/14/56/86/565145686.db2.gz PYQOTNFFSZCFKD-OLZOCXBDSA-N 1 0 383.290 2.541 20 0 GFADRO CC(=O)N1CC[C@@H](NC(=O)N[C@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)C1 ZINC000637294564 565148987 /nfs/dbraw/zinc/14/89/87/565148987.db2.gz YMUARFVRKHUELZ-CZUORRHYSA-N 1 0 387.311 2.516 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)C(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000658120808 565150160 /nfs/dbraw/zinc/15/01/60/565150160.db2.gz UYVQBRLESGXPEE-ZDUSSCGKSA-N 1 0 396.329 2.933 20 0 GFADRO O=C(NCC[NH2+][C@H]1CCCc2ccc(O)cc21)c1ccc(Br)cn1 ZINC000658097354 565150298 /nfs/dbraw/zinc/15/02/98/565150298.db2.gz WPQNIHJJTCPVNE-INIZCTEOSA-N 1 0 390.281 2.947 20 0 GFADRO C[C@@H]1C[N@H+](C)[C@H](C)[C@H](C)N1C(=O)c1ccc2cncc(Br)c2n1 ZINC000637380095 565153093 /nfs/dbraw/zinc/15/30/93/565153093.db2.gz PQHXXCJXUZYVOH-UTUOFQBUSA-N 1 0 377.286 2.945 20 0 GFADRO COc1ncc(Br)cc1CNC(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000637406814 565154588 /nfs/dbraw/zinc/15/45/88/565154588.db2.gz GXGOSJUORIKRSX-OAHLLOKOSA-N 1 0 399.333 2.869 20 0 GFADRO C[C@H](C(=O)N1CCOC[C@@H]1[C@@H]1CCC[N@@H+]1C)c1ccc(Br)cc1 ZINC000615270834 565155174 /nfs/dbraw/zinc/15/51/74/565155174.db2.gz SFTUHSPIWRNSAP-RRQGHBQHSA-N 1 0 381.314 2.874 20 0 GFADRO CC(=O)c1cc(Br)ccc1OCC(=O)N1CC[C@H]([NH+](C)C)[C@H]1C ZINC000615302996 565156729 /nfs/dbraw/zinc/15/67/29/565156729.db2.gz PUOXZMRVMWFIEC-ABAIWWIYSA-N 1 0 383.286 2.582 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2cc(Br)ccc2F)C1 ZINC000658261892 565157878 /nfs/dbraw/zinc/15/78/78/565157878.db2.gz PQWFTLCBBHPLSK-NSHDSACASA-N 1 0 386.265 2.516 20 0 GFADRO C[NH+](C)C[C@@H](NC(=O)N1CC[C@@](C)(C(N)=O)C1)c1ccc(Cl)c(Cl)c1 ZINC000637472694 565158528 /nfs/dbraw/zinc/15/85/28/565158528.db2.gz HGAWFQOQAWSQCI-RHSMWYFYSA-N 1 0 387.311 2.503 20 0 GFADRO COC(=O)C1(C[NH2+]Cc2cn(-c3ccccc3Br)nn2)CCCC1 ZINC000589314730 565160836 /nfs/dbraw/zinc/16/08/36/565160836.db2.gz OEOJUHJENCWMRV-UHFFFAOYSA-N 1 0 393.285 2.853 20 0 GFADRO CCN(C(=O)C(=O)Nc1ccc(Cl)cc1Br)[C@H]1CC[N@H+](C)C1 ZINC000658362820 565161606 /nfs/dbraw/zinc/16/16/06/565161606.db2.gz SSKDBPAAPXVSRB-NSHDSACASA-N 1 0 388.693 2.594 20 0 GFADRO O=C(NCc1ccsc1C(F)(F)F)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000637591663 565162832 /nfs/dbraw/zinc/16/28/32/565162832.db2.gz LHQYNBPUUZUXIS-ZDUSSCGKSA-N 1 0 377.432 2.508 20 0 GFADRO C[C@@H](C[NH3+])N(C)S(=O)(=O)c1cc(Cl)c(Cl)cc1Br ZINC000658366854 565163014 /nfs/dbraw/zinc/16/30/14/565163014.db2.gz HEBLPYPZOLZSQA-LURJTMIESA-N 1 0 376.103 2.724 20 0 GFADRO CN1C(=O)C[C@H](C(=O)N2CC(C[NH+](C)C)C2)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000615505023 565163130 /nfs/dbraw/zinc/16/31/30/565163130.db2.gz DPXPTWDRPPOHPZ-SUMWQHHRSA-N 1 0 384.307 2.533 20 0 GFADRO O=S(=O)(c1cc(Cl)ccc1OC(F)(F)F)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000658374263 565163601 /nfs/dbraw/zinc/16/36/01/565163601.db2.gz LWTMKZPRYLKMIP-KOLCDFICSA-N 1 0 384.807 2.611 20 0 GFADRO C[NH+](C)CC1CN(C(=O)[C@H]2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)C1 ZINC000615512179 565164116 /nfs/dbraw/zinc/16/41/16/565164116.db2.gz CWSAVTOLKXDYIR-MRXNPFEDSA-N 1 0 384.307 2.618 20 0 GFADRO CCCOc1ccc(Br)cc1S(=O)(=O)N1CC[C@@H]([NH3+])C[C@@H]1C ZINC000658384820 565165842 /nfs/dbraw/zinc/16/58/42/565165842.db2.gz LUKUUZNTNQZSAS-WCQYABFASA-N 1 0 391.331 2.738 20 0 GFADRO CCCOc1ccc(Br)cc1S(=O)(=O)N1CC[C@H]([NH3+])C[C@H]1C ZINC000658384821 565165933 /nfs/dbraw/zinc/16/59/33/565165933.db2.gz LUKUUZNTNQZSAS-YPMHNXCESA-N 1 0 391.331 2.738 20 0 GFADRO CCCOc1ccc(Br)cc1S(=O)(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000658381546 565166068 /nfs/dbraw/zinc/16/60/68/565166068.db2.gz UHJGYKLGQJQROK-YPMHNXCESA-N 1 0 391.331 2.644 20 0 GFADRO O=S(=O)(c1cnccc1C(F)(F)F)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000658385249 565166083 /nfs/dbraw/zinc/16/60/83/565166083.db2.gz APXAEOHHSWJAHB-CYBMUJFWSA-N 1 0 377.432 2.501 20 0 GFADRO CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2NS(=O)(=O)c2cc(C)cs2)cc1 ZINC000658392092 565166935 /nfs/dbraw/zinc/16/69/35/565166935.db2.gz UMBTZGNVOLTCIF-IRXDYDNUSA-N 1 0 380.535 2.879 20 0 GFADRO COc1ccc(S(=O)(=O)N[C@@H]2CC[NH2+]C3(CCC3)C2)c(Cl)c1Cl ZINC000658401432 565168213 /nfs/dbraw/zinc/16/82/13/565168213.db2.gz CURFLJSAWPBFTO-SNVBAGLBSA-N 1 0 379.309 2.955 20 0 GFADRO O=C(NCC[C@@H]1CCC[NH2+]C1)N1CCO[C@H](c2cccc(Br)c2)C1 ZINC000637770962 565171877 /nfs/dbraw/zinc/17/18/77/565171877.db2.gz GPGGJULNFMZKEE-YOEHRIQHSA-N 1 0 396.329 2.922 20 0 GFADRO CCCC[C@H](C[NH3+])NC(=O)[C@@H]1CCC(=O)N1Cc1ccc(Br)cc1 ZINC000637867284 565174548 /nfs/dbraw/zinc/17/45/48/565174548.db2.gz UGXXJGDFDHZSNJ-CVEARBPZSA-N 1 0 396.329 2.574 20 0 GFADRO CC[NH+](CC)CCN(Cc1cccs1)Cc1ccc(S(N)(=O)=O)s1 ZINC000637872560 565176095 /nfs/dbraw/zinc/17/60/95/565176095.db2.gz NFCXPEGFSMAHPZ-UHFFFAOYSA-N 1 0 387.596 2.801 20 0 GFADRO C[N@@H+]1C[C@H]2CCN(C(=O)c3ccc(Cl)c(I)c3)[C@@H]2C1 ZINC000590046634 565176377 /nfs/dbraw/zinc/17/63/77/565176377.db2.gz LDRTWXRASFLSFV-ZWNOBZJWSA-N 1 0 390.652 2.721 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NCc2ccc(Cl)c(Cl)c2)[C@@H](C)C1 ZINC000658616436 565178024 /nfs/dbraw/zinc/17/80/24/565178024.db2.gz RSOWEQBUERQWDA-LRDDRELGSA-N 1 0 386.323 2.798 20 0 GFADRO [NH3+]Cc1ncc(C(=O)N2CCC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)cn1 ZINC000638042103 565181425 /nfs/dbraw/zinc/18/14/25/565181425.db2.gz QBQMETTULHAQCW-CYBMUJFWSA-N 1 0 381.263 2.926 20 0 GFADRO Cc1[nH][nH]c(=NC(=O)C2CC[NH+](Cc3ccccc3)CC2)c1Br ZINC000616009763 565184191 /nfs/dbraw/zinc/18/41/91/565184191.db2.gz BGNOAEKLSSJLGV-UHFFFAOYSA-N 1 0 377.286 2.753 20 0 GFADRO CC[C@@H]1CN(C(C)=O)[C@@H](CC)CN1Cc1cnn2cc(Br)cnc12 ZINC000638121456 565185238 /nfs/dbraw/zinc/18/52/38/565185238.db2.gz LOFDRPZXYQEJON-CVEARBPZSA-N 1 0 394.317 2.713 20 0 GFADRO COCC[NH+]1CCC(NC(=O)c2c[nH]c3ccc(Br)cc23)CC1 ZINC000590504932 565190655 /nfs/dbraw/zinc/19/06/55/565190655.db2.gz JLIHLIMRULVHAR-UHFFFAOYSA-N 1 0 380.286 2.771 20 0 GFADRO Cc1cc([C@@H]2CCCN2C(=O)c2cnc(C[NH3+])nc2)ccc1Br ZINC000638304549 565190984 /nfs/dbraw/zinc/19/09/84/565190984.db2.gz RIPVOLVSPGAEOW-HNNXBMFYSA-N 1 0 375.270 2.984 20 0 GFADRO Cc1nc(-c2ccc(CC[NH2+]Cc3ccc(S(N)(=O)=O)o3)s2)cs1 ZINC000638312369 565191108 /nfs/dbraw/zinc/19/11/08/565191108.db2.gz SUGDEJKQPPIIIA-UHFFFAOYSA-N 1 0 383.520 2.753 20 0 GFADRO [NH3+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1[C@@H]3c4ccc(Br)cc4C[C@H]13)C2 ZINC000638384566 565194347 /nfs/dbraw/zinc/19/43/47/565194347.db2.gz WXADMMKCJZGESA-VMRMDKAQSA-N 1 0 375.310 2.922 20 0 GFADRO [NH3+]CC12CC(C1)CN2C(=O)Nc1cnn(-c2ccccc2Br)c1 ZINC000659006638 565197896 /nfs/dbraw/zinc/19/78/96/565197896.db2.gz RFSCDKQJSNGDLG-UHFFFAOYSA-N 1 0 376.258 2.590 20 0 GFADRO CC(C)[C@@H]1C[NH2+]CCN1C(=O)C1CCN(C(=O)c2ccc(Cl)s2)CC1 ZINC000638487397 565198216 /nfs/dbraw/zinc/19/82/16/565198216.db2.gz OTYSBAQJUKSYEB-AWEZNQCLSA-N 1 0 383.945 2.710 20 0 GFADRO COCCC[NH+]1CCC(NCc2snc(OC)c2Br)CC1 ZINC000638484155 565198335 /nfs/dbraw/zinc/19/83/35/565198335.db2.gz UNALCJSESZYBQV-UHFFFAOYSA-N 1 0 378.336 2.505 20 0 GFADRO O=C(C[C@@H]1COCC[NH2+]1)N1CC[C@H](Sc2ccc(Br)cc2)C1 ZINC000638471963 565198419 /nfs/dbraw/zinc/19/84/19/565198419.db2.gz CQJDJFRSVZCKCI-HIFRSBDPSA-N 1 0 385.327 2.521 20 0 GFADRO CCOc1c(Br)cc(C(=O)N[C@H]2CC[NH2+]C23CCC3)cc1OC ZINC000638500460 565199021 /nfs/dbraw/zinc/19/90/21/565199021.db2.gz QYBVTSGAZMPXMV-AWEZNQCLSA-N 1 0 383.286 2.871 20 0 GFADRO C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)Nc1ccc(F)c(Br)c1F ZINC000659047745 565199060 /nfs/dbraw/zinc/19/90/60/565199060.db2.gz LFMXGFLZVOQPSF-OIBJUYFYSA-N 1 0 378.217 2.962 20 0 GFADRO CC(C)[C@@H]1C[NH2+]CCN1C(=O)c1ncc(Br)cc1Br ZINC000638490016 565199145 /nfs/dbraw/zinc/19/91/45/565199145.db2.gz SQZXJFYJBSVQEL-NSHDSACASA-N 1 0 391.107 2.677 20 0 GFADRO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)Nc1cc(Cl)c(Br)cc1C ZINC000659078536 565200470 /nfs/dbraw/zinc/20/04/70/565200470.db2.gz TURURVFVFCPGKX-SNVBAGLBSA-N 1 0 388.693 2.560 20 0 GFADRO COc1cc(Br)ccc1[C@@H]1CCCN1C(=O)COC1CC[NH2+]CC1 ZINC000638532179 565200524 /nfs/dbraw/zinc/20/05/24/565200524.db2.gz JQPGFHPVRJUNSZ-INIZCTEOSA-N 1 0 397.313 2.890 20 0 GFADRO Cc1cc(Br)c(Cl)cc1NC(=O)C(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000659088778 565201404 /nfs/dbraw/zinc/20/14/04/565201404.db2.gz PJRNDOAPUHIJTP-DTWKUNHWSA-N 1 0 376.682 2.591 20 0 GFADRO Cc1cc(Br)c(Cl)cc1NC(=O)C(=O)NCC1([NH3+])CCCC1 ZINC000659098004 565201567 /nfs/dbraw/zinc/20/15/67/565201567.db2.gz WAWQPPWITWWSRM-UHFFFAOYSA-N 1 0 388.693 2.737 20 0 GFADRO C[NH2+]CCc1ccccc1C(=O)NCc1cc(Br)cnc1OC ZINC000638560408 565202797 /nfs/dbraw/zinc/20/27/97/565202797.db2.gz KWFRYQLXUOXXDM-UHFFFAOYSA-N 1 0 378.270 2.545 20 0 GFADRO COc1nsc(C[NH2+]CCCNC(=O)c2cccs2)c1Br ZINC000638598980 565204118 /nfs/dbraw/zinc/20/41/18/565204118.db2.gz VGAZIJWMBLGUII-UHFFFAOYSA-N 1 0 390.328 2.885 20 0 GFADRO CO[C@H](C[NH2+]CCC(=O)Nc1cc(Br)ccc1C)[C@H]1CCOC1 ZINC000638597796 565204218 /nfs/dbraw/zinc/20/42/18/565204218.db2.gz KBGUGZFVDIGEPM-XJKSGUPXSA-N 1 0 385.302 2.727 20 0 GFADRO C[C@@H](c1ccccc1)[C@@H](CO)[NH2+]Cc1cnn2cc(Br)cnc12 ZINC000638609902 565204518 /nfs/dbraw/zinc/20/45/18/565204518.db2.gz HMUOFJJUQLIKKO-BLLLJJGKSA-N 1 0 375.270 2.746 20 0 GFADRO O=C(C[C@@H]1COCC[NH2+]1)N[C@@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC000638597021 565204693 /nfs/dbraw/zinc/20/46/93/565204693.db2.gz VZFLXMLXPQQNOD-MLGOLLRUSA-N 1 0 392.297 2.803 20 0 GFADRO [NH3+]CC1(NC(=O)CCc2nc3cc(Br)ccc3s2)CCOCC1 ZINC000638633796 565206036 /nfs/dbraw/zinc/20/60/36/565206036.db2.gz HDJCOUVGYVSFIW-UHFFFAOYSA-N 1 0 398.326 2.616 20 0 GFADRO [NH3+]CCCOCCNC(=O)c1cccnc1Oc1ccc(Br)cc1 ZINC000638661225 565206482 /nfs/dbraw/zinc/20/64/82/565206482.db2.gz MREUMJVIFZDPDS-UHFFFAOYSA-N 1 0 394.269 2.732 20 0 GFADRO O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1cc(Br)cc2c1OCCO2 ZINC000616717174 565206946 /nfs/dbraw/zinc/20/69/46/565206946.db2.gz HHHZMDAJVROXRT-HUUCEWRRSA-N 1 0 395.297 2.967 20 0 GFADRO C[C@]([NH3+])(C(=O)N1CCc2c(O)cccc2C1)c1ccc(Br)cc1 ZINC000638700105 565208001 /nfs/dbraw/zinc/20/80/01/565208001.db2.gz YJMRQGNPQJJZSM-GOSISDBHSA-N 1 0 375.266 2.914 20 0 GFADRO C[C@H](Cc1ccccc1Br)[NH2+]Cc1ccc(S(N)(=O)=O)cc1 ZINC000638760232 565209299 /nfs/dbraw/zinc/20/92/99/565209299.db2.gz QMWMJDDRPLGLPR-GFCCVEGCSA-N 1 0 383.311 2.817 20 0 GFADRO O=C(COc1ccc(Cl)cc1Cl)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000638776981 565210931 /nfs/dbraw/zinc/21/09/31/565210931.db2.gz AJANEYIOSISTGD-HNNXBMFYSA-N 1 0 387.307 2.989 20 0 GFADRO CN1CC[C@@H]([NH2+]Cc2ccc(S(N)(=O)=O)s2)[C@H]1c1ccc(Cl)cc1 ZINC000638803054 565211729 /nfs/dbraw/zinc/21/17/29/565211729.db2.gz ZOFPETRPELPIJQ-GDBMZVCRSA-N 1 0 385.942 2.584 20 0 GFADRO CN1CC[C@@H]([NH2+]CC2(CO)CCOCC2)C[C@@H]1c1ccc(Br)cc1 ZINC000638783613 565211957 /nfs/dbraw/zinc/21/19/57/565211957.db2.gz ILHYPXINFYTHTP-QZTJIDSGSA-N 1 0 397.357 2.963 20 0 GFADRO O=C(N[C@@H]1CC[NH2+]C12CCCC2)c1cc(Br)cc2c1OCCO2 ZINC000659328172 565213040 /nfs/dbraw/zinc/21/30/40/565213040.db2.gz XPBUUBYOQUQVCI-CQSZACIVSA-N 1 0 381.270 2.625 20 0 GFADRO CN(Cc1ccc(Br)cc1F)C(=O)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC000638827686 565213321 /nfs/dbraw/zinc/21/33/21/565213321.db2.gz BRGVXRLUBOHYJD-SNVBAGLBSA-N 1 0 381.249 2.660 20 0 GFADRO C[C@H](CC(=O)NCc1cccc2c1CC[NH2+]C2)n1cc(Br)cn1 ZINC000638845974 565215838 /nfs/dbraw/zinc/21/58/38/565215838.db2.gz LAIAKMBZTHSNIF-GFCCVEGCSA-N 1 0 377.286 2.559 20 0 GFADRO CN1CC[C@H]([NH2+][C@@H]2CC(=O)N(C3CC3)C2)C[C@H]1c1ccc(Br)cc1 ZINC000638897259 565217152 /nfs/dbraw/zinc/21/71/52/565217152.db2.gz DWNSZWSOWXWSDN-JZXOWHBKSA-N 1 0 392.341 2.937 20 0 GFADRO [NH3+]C[C@@H]1Cc2ccccc2N(C(=O)c2cc3c(cc2Br)OCO3)C1 ZINC000639025512 565220894 /nfs/dbraw/zinc/22/08/94/565220894.db2.gz YNMUBSUNPIBPJB-NSHDSACASA-N 1 0 389.249 2.956 20 0 GFADRO Cc1cc(I)ccc1NC(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000591271911 565221076 /nfs/dbraw/zinc/22/10/76/565221076.db2.gz DALQZULZGUHKGK-FZMZJTMJSA-N 1 0 385.249 2.815 20 0 GFADRO C[C@@H](CNC(=O)[C@H]1CCN(c2cc(Cl)ccc2Cl)C1=O)[NH+]1CCCC1 ZINC000591284494 565221118 /nfs/dbraw/zinc/22/11/18/565221118.db2.gz UOYYFPIEVUKWMS-GXTWGEPZSA-N 1 0 384.307 2.947 20 0 GFADRO C[C@@H]([NH3+])CNC(=O)Nc1ccc(Br)c(I)c1 ZINC000591285011 565221276 /nfs/dbraw/zinc/22/12/76/565221276.db2.gz SUNZYKPJZHHEII-ZCFIWIBFSA-N 1 0 398.042 2.522 20 0 GFADRO O=C(NCC1(Cc2ccc(Br)cc2)CC1)NCC12CC(C1)C[NH2+]2 ZINC000659599612 565221657 /nfs/dbraw/zinc/22/16/57/565221657.db2.gz NJPZLFUFGGCCOR-UHFFFAOYSA-N 1 0 378.314 2.823 20 0 GFADRO O=C(Nc1ccc(F)cc1I)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000591288437 565221926 /nfs/dbraw/zinc/22/19/26/565221926.db2.gz RHGCYQWZVYZNDX-RNCFNFMXSA-N 1 0 389.212 2.646 20 0 GFADRO CC[C@H]1CN(C(=O)Nc2ccc(Br)cc2C(=O)OC)CC[C@H]1[NH3+] ZINC000591292024 565222049 /nfs/dbraw/zinc/22/20/49/565222049.db2.gz BVCPJBDSSARTAH-GXFFZTMASA-N 1 0 384.274 2.827 20 0 GFADRO Cc1cc(I)cc(NC(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000591306830 565222454 /nfs/dbraw/zinc/22/24/54/565222454.db2.gz NMLGJHIGKVVVKO-GDLCADMTSA-N 1 0 385.249 2.801 20 0 GFADRO COC(=O)c1c(Br)ccc(NC(=O)NCC2CC[NH2+]CC2)c1C ZINC000591302009 565222506 /nfs/dbraw/zinc/22/25/06/565222506.db2.gz LNJBXFRMVLLCSY-UHFFFAOYSA-N 1 0 384.274 2.665 20 0 GFADRO CC(C)N(Cc1ccc(Br)cc1)C(=O)C(=O)NCC1([NH3+])CCCC1 ZINC000659732484 565222716 /nfs/dbraw/zinc/22/27/16/565222716.db2.gz LFDYPRKNMHAGHX-UHFFFAOYSA-N 1 0 396.329 2.574 20 0 GFADRO O=C(NCc1cccc(Cl)c1Cl)C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000659755653 565222759 /nfs/dbraw/zinc/22/27/59/565222759.db2.gz KJUYUCVULUYNPD-UHFFFAOYSA-N 1 0 384.307 2.600 20 0 GFADRO COC(=O)c1c(Br)ccc(NC(=O)N[C@H]2CCC[NH2+]CC2)c1C ZINC000591301997 565223049 /nfs/dbraw/zinc/22/30/49/565223049.db2.gz IMWBHJLFRVAWOD-NSHDSACASA-N 1 0 384.274 2.808 20 0 GFADRO CS[C@@H]1CN(C(=O)c2nnc(-c3c(F)cccc3F)s2)C[C@@H]1[NH+](C)C ZINC000591343898 565224566 /nfs/dbraw/zinc/22/45/66/565224566.db2.gz OLKZGTGOXVDHGN-NWDGAFQWSA-N 1 0 384.477 2.601 20 0 GFADRO CN1CC[C@H]([NH2+]C[C@@H]2CCCC(=O)N2)C[C@H]1c1ccc(Br)cc1 ZINC000639114215 565226064 /nfs/dbraw/zinc/22/60/64/565226064.db2.gz ASIAQDMZOMQYLG-ULQDDVLXSA-N 1 0 380.330 2.843 20 0 GFADRO COc1ncc(Br)cc1CN1CCC[C@H]1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000659855455 565227162 /nfs/dbraw/zinc/22/71/62/565227162.db2.gz DZYQTCGXNJYVIW-VBQJREDUSA-N 1 0 398.345 2.926 20 0 GFADRO COc1cc(C[C@@H](C)[NH2+][C@H](C(N)=O)c2cccc(Br)c2)ccn1 ZINC000639123076 565227494 /nfs/dbraw/zinc/22/74/94/565227494.db2.gz IDOSCLQWIZLUDV-BZNIZROVSA-N 1 0 378.270 2.600 20 0 GFADRO [NH3+]C/C=C\CNC(=O)N1CCC[C@H]1c1ccc(I)cc1 ZINC000591361046 565227516 /nfs/dbraw/zinc/22/75/16/565227516.db2.gz YTMFASQZCWXEJO-BOPNBLERSA-N 1 0 385.249 2.653 20 0 GFADRO CN(C[C@H]1CCC[N@H+](Cc2ccccc2CC(F)(F)F)C1)S(C)(=O)=O ZINC000639156894 565230076 /nfs/dbraw/zinc/23/00/76/565230076.db2.gz LVZGQILLWQFHEL-CQSZACIVSA-N 1 0 378.460 2.895 20 0 GFADRO C[NH+](C)CCN(Cc1ccc(S(N)(=O)=O)s1)Cc1cccc(Cl)c1 ZINC000639170384 565230174 /nfs/dbraw/zinc/23/01/74/565230174.db2.gz BGHIXSVEVLEZRY-UHFFFAOYSA-N 1 0 387.958 2.613 20 0 GFADRO CN1CC[C@@H]([NH2+]CCN2CCCOCC2)C[C@H]1c1ccc(Br)cc1 ZINC000639175188 565230502 /nfs/dbraw/zinc/23/05/02/565230502.db2.gz ILSFCWOQFKFIMR-MOPGFXCFSA-N 1 0 396.373 2.896 20 0 GFADRO CCN(CC(=O)N1CCCCCC1)Cc1cnn2cc(Br)cnc12 ZINC000639165634 565230620 /nfs/dbraw/zinc/23/06/20/565230620.db2.gz OMJBKYOJAPFENR-UHFFFAOYSA-N 1 0 394.317 2.716 20 0 GFADRO C[NH+](C)CCCCC(=O)N(CCO)Cc1cc(Br)ccc1F ZINC000591451516 565231013 /nfs/dbraw/zinc/23/10/13/565231013.db2.gz MNHRQVPWWJIBSG-UHFFFAOYSA-N 1 0 375.282 2.641 20 0 GFADRO COC(=O)c1cccc(NC(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)c1Br ZINC000617292896 565231416 /nfs/dbraw/zinc/23/14/16/565231416.db2.gz CCTMHHLQPKFCKD-GFCCVEGCSA-N 1 0 396.285 2.842 20 0 GFADRO COc1ncc(Br)cc1C[NH2+][C@@H]([C@@H]1CCCO1)C1(CO)CCC1 ZINC000639193432 565232021 /nfs/dbraw/zinc/23/20/21/565232021.db2.gz MYOOGIMVXJUZAA-GJZGRUSLSA-N 1 0 385.302 2.653 20 0 GFADRO Cc1cc(NC(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)ccc1Br ZINC000591657429 565235234 /nfs/dbraw/zinc/23/52/34/565235234.db2.gz KLSGEZUOCVYTPZ-HZPDHXFCSA-N 1 0 382.302 2.820 20 0 GFADRO COc1ccc(Br)cc1C[C@@H](CO)C[NH2+]CCCc1cnn(C)c1 ZINC000639237378 565235231 /nfs/dbraw/zinc/23/52/31/565235231.db2.gz DFUAQXMDSGMCED-OAHLLOKOSA-N 1 0 396.329 2.565 20 0 GFADRO CC[NH+](CC)CCO[C@H]1CCN(Cc2cc(Br)cnc2OC)C1 ZINC000659978304 565236556 /nfs/dbraw/zinc/23/65/56/565236556.db2.gz CJQYHUMHLSKDGM-INIZCTEOSA-N 1 0 386.334 2.785 20 0 GFADRO COc1ccc(S(=O)(=O)N2CCCC[C@@H]2C[NH+](C)C)c(Br)c1 ZINC000660009385 565237153 /nfs/dbraw/zinc/23/71/53/565237153.db2.gz RFZFJAXUTNJFDF-GFCCVEGCSA-N 1 0 391.331 2.563 20 0 GFADRO C[NH+](C)C[C@H]1CCCCN1S(=O)(=O)Cc1ccc(Br)cc1 ZINC000660009480 565237414 /nfs/dbraw/zinc/23/74/14/565237414.db2.gz TUXAVMRIZOKWFU-OAHLLOKOSA-N 1 0 375.332 2.695 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+]CC2(Cc3ccc(Br)cc3)CC2)o1 ZINC000639317681 565239463 /nfs/dbraw/zinc/23/94/63/565239463.db2.gz UOMQKWZITBPSCZ-UHFFFAOYSA-N 1 0 399.310 2.802 20 0 GFADRO CC(=O)N1CC[C@@H]([NH2+][C@H]2CCN(C)[C@@H](c3ccc(Br)cc3)C2)C1 ZINC000639341819 565240225 /nfs/dbraw/zinc/24/02/25/565240225.db2.gz VIDTVRWRDHQNSC-RCCFBDPRSA-N 1 0 380.330 2.795 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+][C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)s1 ZINC000639357917 565240856 /nfs/dbraw/zinc/24/08/56/565240856.db2.gz CFCHLIUQEYWUCC-HIFRSBDPSA-N 1 0 390.889 2.808 20 0 GFADRO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)C1(c2cccc(Br)c2)CC1 ZINC000617504477 565242837 /nfs/dbraw/zinc/24/28/37/565242837.db2.gz XOMAKZYUAHZBPI-HNNXBMFYSA-N 1 0 396.373 2.869 20 0 GFADRO C[C@@H](C(=O)N[C@@H](C)CN(C)CCC[NH+](C)C)c1cccc(Br)c1 ZINC000617507898 565243662 /nfs/dbraw/zinc/24/36/62/565243662.db2.gz NYDKVQQMUVJUSJ-LSDHHAIUSA-N 1 0 384.362 2.941 20 0 GFADRO CCN(C(=O)c1ccn(-c2cccc(Br)c2)n1)[C@@H]1CC[N@H+](C)C1 ZINC000617555404 565245399 /nfs/dbraw/zinc/24/53/99/565245399.db2.gz VUPJUAXSNJIXCO-OAHLLOKOSA-N 1 0 377.286 2.801 20 0 GFADRO COC[C@H](C[NH+]1CCC(C(=O)Nc2ccccc2Br)CC1)OC ZINC000660059925 565245545 /nfs/dbraw/zinc/24/55/45/565245545.db2.gz PXZJVLUHYFMMTC-AWEZNQCLSA-N 1 0 385.302 2.761 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CN(C)[C@H]1CCN(C2CCC2)C1=O ZINC000639446795 565246272 /nfs/dbraw/zinc/24/62/72/565246272.db2.gz JBOPOENDCICUOM-INIZCTEOSA-N 1 0 394.313 2.781 20 0 GFADRO C[C@H](c1ccc(Br)cc1)N1CC[NH+](C[C@H]2CCc3ncnn32)CC1 ZINC000639498273 565247633 /nfs/dbraw/zinc/24/76/33/565247633.db2.gz SBTXMHVBNJENEB-RHSMWYFYSA-N 1 0 390.329 2.907 20 0 GFADRO Brc1cccc(C2([NH2+]C[C@@H]3CCc4ncnn43)CCOCC2)c1 ZINC000639533143 565249512 /nfs/dbraw/zinc/24/95/12/565249512.db2.gz CKYKRXPVYIBBRS-HNNXBMFYSA-N 1 0 377.286 2.823 20 0 GFADRO C[C@@H]1CN(C[C@@H](O)COc2cc(Cl)cc(Cl)c2)CC[N@@H+]1CC(C)(C)O ZINC000639602014 565250399 /nfs/dbraw/zinc/25/03/99/565250399.db2.gz MUVWAZNCSXLRBW-CZUORRHYSA-N 1 0 391.339 2.510 20 0 GFADRO Brc1ccc(C[N@H+](CCn2ccnc2)C[C@@H]2CCc3ncnn32)o1 ZINC000639639216 565253599 /nfs/dbraw/zinc/25/35/99/565253599.db2.gz SYNQZUWDBOUVIL-ZDUSSCGKSA-N 1 0 391.273 2.520 20 0 GFADRO Cc1ccc(NC(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)c(Br)c1 ZINC000617736696 565255492 /nfs/dbraw/zinc/25/54/92/565255492.db2.gz KEQQEXLUOFWKNB-AWEZNQCLSA-N 1 0 394.313 2.783 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)NCC[C@H](C)[NH+](C)C ZINC000617752332 565257310 /nfs/dbraw/zinc/25/73/10/565257310.db2.gz MIJLXDNYQOBAPK-LSDHHAIUSA-N 1 0 386.583 2.807 20 0 GFADRO CC(C)[C@H](NC(=O)c1ccccc1Br)C(=O)NCC[C@H](C)[NH+](C)C ZINC000617745681 565257359 /nfs/dbraw/zinc/25/73/59/565257359.db2.gz TYFFLPMLZSSOFV-BBRMVZONSA-N 1 0 398.345 2.660 20 0 GFADRO O[C@H](COc1ccc(Br)cc1)C[N@@H+]1CCC[C@H](n2ccnn2)CC1 ZINC000639814993 565262991 /nfs/dbraw/zinc/26/29/91/565262991.db2.gz ULNDCLXVEABJLW-HOTGVXAUSA-N 1 0 395.301 2.508 20 0 GFADRO O=C(C[C@@H]1CCC[NH2+]1)NCc1cc(Cl)cc(I)c1 ZINC000592255541 565264533 /nfs/dbraw/zinc/26/45/33/565264533.db2.gz OVRFTCXJUQPSCQ-LBPRGKRZSA-N 1 0 378.641 2.703 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)CCC[N@@H+]1C[C@H](O)C[C@@]1(C)CO ZINC000639849614 565264604 /nfs/dbraw/zinc/26/46/04/565264604.db2.gz PPAPZHVPWMFRIU-QAPCUYQASA-N 1 0 399.329 2.602 20 0 GFADRO CO[C@@H]1CS(=O)(=O)C[C@@H]1N[C@H](C)c1sc(-c2ccc(C)cc2)nc1C ZINC000660267797 565268218 /nfs/dbraw/zinc/26/82/18/565268218.db2.gz WJLHSCLXRZDLAH-UHOFOFEASA-N 1 0 380.535 2.890 20 0 GFADRO [NH3+]CC[C@@H](NC(=O)c1ccc(I)cc1Cl)C(F)F ZINC000592340335 565271625 /nfs/dbraw/zinc/27/16/25/565271625.db2.gz YUSXJQHZPZSYTC-SECBINFHSA-N 1 0 388.583 2.657 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1cnn(-c2ccc(Br)cc2)c1 ZINC000618028899 565271851 /nfs/dbraw/zinc/27/18/51/565271851.db2.gz OCXBPSZGXSTSES-SJORKVTESA-N 1 0 389.297 2.991 20 0 GFADRO CC[N@@H+]1CCN(C[C@H](O)COc2ccc(Cl)cc2Br)C[C@@H]1C ZINC000592386927 565274072 /nfs/dbraw/zinc/27/40/72/565274072.db2.gz VANMQWUDOYPURM-JSGCOSHPSA-N 1 0 391.737 2.868 20 0 GFADRO C[C@@H](OC[C@@H](O)C[N@@H+]1C[C@@H](CO)[C@H](C(F)(F)F)C1)c1ccc(Cl)cc1 ZINC000640041298 565276463 /nfs/dbraw/zinc/27/64/63/565276463.db2.gz UPVAXOOSXRQSOQ-SHPPOPEUSA-N 1 0 381.822 2.881 20 0 GFADRO CC[NH+](CC)CCCN(Cc1ccc(Cl)cc1)C(=O)[C@H](C)S(C)(=O)=O ZINC000618174323 565276513 /nfs/dbraw/zinc/27/65/13/565276513.db2.gz WHVSLPDIRAVDKV-HNNXBMFYSA-N 1 0 388.961 2.834 20 0 GFADRO CN(Cc1ccc(Cl)s1)C(=O)CN1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000660470835 565277983 /nfs/dbraw/zinc/27/79/83/565277983.db2.gz YETAMVNHDCHSTQ-HNNXBMFYSA-N 1 0 385.961 2.547 20 0 GFADRO CN(CC1C[NH+](C)C1)C(=O)Cc1ccc(Br)c(Br)c1 ZINC000618189847 565278495 /nfs/dbraw/zinc/27/84/95/565278495.db2.gz YSSZDHOKUVIASJ-UHFFFAOYSA-N 1 0 390.119 2.774 20 0 GFADRO O=c1cc(C[N@H+]2CC[C@H](O)[C@@H]3CCCC[C@H]32)nc2ccc(Br)cn12 ZINC000640097730 565278534 /nfs/dbraw/zinc/27/85/34/565278534.db2.gz MHUZKTVWXKQFDX-OAGGEKHMSA-N 1 0 392.297 2.582 20 0 GFADRO [NH3+]C[C@@H]1CCCn2ncc(C(=O)NCCCc3cccc(Br)c3)c21 ZINC000592532644 565281014 /nfs/dbraw/zinc/28/10/14/565281014.db2.gz OZMKWDZMYDSTEK-AWEZNQCLSA-N 1 0 391.313 2.844 20 0 GFADRO COc1ccc(NC(=O)c2cnn3c2[C@H](C[NH3+])CCC3)c(Br)c1 ZINC000592520395 565281028 /nfs/dbraw/zinc/28/10/28/565281028.db2.gz MXJBKWGAQHJKFH-JTQLQIEISA-N 1 0 379.258 2.743 20 0 GFADRO Cc1nn(C)c(NC(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)c1Br ZINC000640164067 565281286 /nfs/dbraw/zinc/28/12/86/565281286.db2.gz GLTABWPNSNYASQ-CYBMUJFWSA-N 1 0 384.322 2.973 20 0 GFADRO Cc1nn(C)c(NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)c1Br ZINC000640163889 565281817 /nfs/dbraw/zinc/28/18/17/565281817.db2.gz CHBSGQXQFFAHJC-OLZOCXBDSA-N 1 0 384.322 2.970 20 0 GFADRO O=S(=O)(NC[C@H]1CCC[N@@H+](CCSc2ccc(F)cc2F)C1)C1CC1 ZINC000660557396 565282446 /nfs/dbraw/zinc/28/24/46/565282446.db2.gz MPTPRLSQNRRNCL-CYBMUJFWSA-N 1 0 390.521 2.851 20 0 GFADRO Cc1nn(C)c(NC(=O)NC[C@@H]2CCC[N@@H+](CC(C)C)C2)c1Br ZINC000640165296 565282516 /nfs/dbraw/zinc/28/25/16/565282516.db2.gz JQAZGDGUWFUBSH-ZDUSSCGKSA-N 1 0 386.338 2.981 20 0 GFADRO O=C(NCCc1ccc(Br)cc1)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000660681010 565289739 /nfs/dbraw/zinc/28/97/39/565289739.db2.gz IMASGUICMPECDD-QGZVFWFLSA-N 1 0 396.329 2.544 20 0 GFADRO Cc1ccc(CN(C[C@H]2CCCO2)C(=O)NCC2C[NH2+]C2)c(Br)c1 ZINC000640245984 565292505 /nfs/dbraw/zinc/29/25/05/565292505.db2.gz BJVLCLIJWCFJDZ-MRXNPFEDSA-N 1 0 396.329 2.668 20 0 GFADRO C[C@@H](CC[NH+](C)C)NC(=O)N1CCN(c2ccc(Br)cc2)CC1 ZINC000660845010 565295751 /nfs/dbraw/zinc/29/57/51/565295751.db2.gz ZJPTYXSIDBIAAO-AWEZNQCLSA-N 1 0 383.334 2.621 20 0 GFADRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)Nc1nn(CC(F)(F)F)cc1Cl ZINC000640302627 565297317 /nfs/dbraw/zinc/29/73/17/565297317.db2.gz SXMJVVSDMNULQE-GHMZBOCLSA-N 1 0 379.814 3.189 20 0 GFADRO CCCN(C(=O)c1cc(I)ccc1F)[C@H]1CC[N@H+](C)C1 ZINC000592828092 565299516 /nfs/dbraw/zinc/29/95/16/565299516.db2.gz BKHIXUJKTVZGLR-LBPRGKRZSA-N 1 0 390.240 2.987 20 0 GFADRO COC(=O)[C@@H]1C[NH2+]CCCN1Cc1csc(Cc2ccc(Cl)cc2)n1 ZINC000592984990 565305084 /nfs/dbraw/zinc/30/50/84/565305084.db2.gz YUOGHGJZSRFZBU-INIZCTEOSA-N 1 0 379.913 2.724 20 0 GFADRO C[N@H+](CCCCNC(=O)Nc1nnc(C(F)(F)C(F)(F)F)s1)C1CC1 ZINC000640387044 565306686 /nfs/dbraw/zinc/30/66/86/565306686.db2.gz MWRNDVPFVYZDBT-UHFFFAOYSA-N 1 0 387.378 3.188 20 0 GFADRO COC[C@@H]([NH2+]CC(=O)Nc1ccc(Br)c(C)c1)C1CCOCC1 ZINC000661159230 565311582 /nfs/dbraw/zinc/31/15/82/565311582.db2.gz RHKPKVWUVPRTNL-MRXNPFEDSA-N 1 0 385.302 2.727 20 0 GFADRO CO[C@@H]1CCC[C@@H]([C@H](CO)[NH2+]CCC(=O)Nc2cccc(Br)c2)C1 ZINC000661216041 565313942 /nfs/dbraw/zinc/31/39/42/565313942.db2.gz GHPNGUCOJJDZOI-XYPHTWIQSA-N 1 0 399.329 2.933 20 0 GFADRO Cc1ccc(Br)c(CNC(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)c1 ZINC000661321401 565319188 /nfs/dbraw/zinc/31/91/88/565319188.db2.gz LUIBFNOHKCNPHL-MRXNPFEDSA-N 1 0 396.329 2.810 20 0 GFADRO O=C(NCC1=CC[NH2+]CC1)N1CCc2[nH]c3c(cccc3Br)c2C1 ZINC000640746870 565323597 /nfs/dbraw/zinc/32/35/97/565323597.db2.gz VGWZAXZEXQGUQX-UHFFFAOYSA-N 1 0 389.297 2.918 20 0 GFADRO CC[C@H]([NH2+]C[C@]1(O)CCO[C@H]1C)c1ccc(I)cc1 ZINC000618992034 565324535 /nfs/dbraw/zinc/32/45/35/565324535.db2.gz AXEMBBCPALGRQW-TUKIKUTGSA-N 1 0 375.250 2.872 20 0 GFADRO COCC[C@@H]([NH3+])Cc1cn([C@H](C)C(=O)Nc2cccc(Cl)c2Cl)nn1 ZINC000640780462 565326575 /nfs/dbraw/zinc/32/65/75/565326575.db2.gz IATLDAFONLDGPV-GHMZBOCLSA-N 1 0 386.283 2.691 20 0 GFADRO Brc1ccc(-c2nnc(Cn3cc(C[NH2+]C4CCCC4)nn3)o2)o1 ZINC000640793911 565327670 /nfs/dbraw/zinc/32/76/70/565327670.db2.gz CILAUQQSAHNVDL-UHFFFAOYSA-N 1 0 393.245 2.764 20 0 GFADRO COCC[NH2+]CCc1cn([C@@H](C)C(=O)Nc2cc(Cl)ccc2Cl)nn1 ZINC000640802257 565328977 /nfs/dbraw/zinc/32/89/77/565328977.db2.gz NXHFBJICORXLAJ-NSHDSACASA-N 1 0 386.283 2.563 20 0 GFADRO C[C@H](NC(=O)C[N@@H+]1CC[C@@H]2NC(=O)CC[C@H]2C1)c1ccc(Cl)cc1Cl ZINC000661596550 565330712 /nfs/dbraw/zinc/33/07/12/565330712.db2.gz DIPNCQFTZOATOM-MKBNYLNASA-N 1 0 384.307 2.771 20 0 GFADRO CC(=O)N(c1nc(Cn2cc(CC[NH3+])nn2)cs1)c1cccc(Cl)c1 ZINC000640849991 565331281 /nfs/dbraw/zinc/33/12/81/565331281.db2.gz DMHGZLRARBBAHN-UHFFFAOYSA-N 1 0 376.873 2.622 20 0 GFADRO COc1cc(Br)c(Cn2cc([C@@H]3CCC[NH2+]C3)nn2)cc1OC ZINC000640859414 565332993 /nfs/dbraw/zinc/33/29/93/565332993.db2.gz HOIZRXNKPPREBS-LLVKDONJSA-N 1 0 381.274 2.573 20 0 GFADRO C[C@@H]1CN(c2ncnc3cc(I)sc32)[C@@H](C)C[N@@H+]1C ZINC000593471094 565334696 /nfs/dbraw/zinc/33/46/96/565334696.db2.gz XZTRGAFYSFVKGP-BDAKNGLRSA-N 1 0 388.278 2.825 20 0 GFADRO CC[C@H](C)NC(=O)[C@H](C)n1cc([C@@H]([NH3+])c2ccc(Br)cc2)nn1 ZINC000640900845 565334845 /nfs/dbraw/zinc/33/48/45/565334845.db2.gz CXERJIAJPXSXQZ-PGUXBMHVSA-N 1 0 380.290 2.564 20 0 GFADRO CCC(CC)NC(=O)[C@@H](C)n1cc([C@H]([NH3+])c2ccc(Br)cc2)nn1 ZINC000640906349 565335980 /nfs/dbraw/zinc/33/59/80/565335980.db2.gz HHGWQQLBECLDQN-BDJLRTHQSA-N 1 0 394.317 2.955 20 0 GFADRO Cc1cc(NC(=O)[C@H](C)n2cc(C[NH2+]C3CC3)nn2)ccc1Br ZINC000640906047 565335995 /nfs/dbraw/zinc/33/59/95/565335995.db2.gz DZDILJSBYNYIBE-NSHDSACASA-N 1 0 378.274 2.801 20 0 GFADRO CC(C)CCNC(=O)[C@@H](C)n1cc([C@H]([NH3+])c2ccc(Br)cc2)nn1 ZINC000640907109 565336555 /nfs/dbraw/zinc/33/65/55/565336555.db2.gz ZDJNOAJHGIITSU-MLGOLLRUSA-N 1 0 394.317 2.812 20 0 GFADRO [NH3+]CCCc1cn(CC(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)nn1 ZINC000640999264 565341033 /nfs/dbraw/zinc/34/10/33/565341033.db2.gz HZBGPPIJBYTJKT-INIZCTEOSA-N 1 0 382.295 2.840 20 0 GFADRO Brc1ccc2[nH]c(C[N@H+](CCN3CCOCC3)CC3CC3)nc2c1 ZINC000661970977 565343736 /nfs/dbraw/zinc/34/37/36/565343736.db2.gz ZEYBHJHJHXHPII-UHFFFAOYSA-N 1 0 393.329 2.870 20 0 GFADRO CN(Cc1cccc(Br)c1)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000661977058 565343778 /nfs/dbraw/zinc/34/37/78/565343778.db2.gz YKEROQOKLYDMJT-KRWDZBQOSA-N 1 0 396.329 2.844 20 0 GFADRO O=C1CCCN1C[C@@H]1CC[N@@H+](C[C@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000662062344 565348464 /nfs/dbraw/zinc/34/84/64/565348464.db2.gz NVYFUWPOELDKNT-KGLIPLIRSA-N 1 0 387.307 2.677 20 0 GFADRO Cc1nnc([C@@H](C)n2cc([C@H]([NH3+])c3ccc(Br)cc3)nn2)s1 ZINC000641143940 565349852 /nfs/dbraw/zinc/34/98/52/565349852.db2.gz DXWGQTYCJWLLHB-AMIZOPFISA-N 1 0 379.287 2.858 20 0 GFADRO CC(C)NC(=O)[C@@H]1CCC[N@H+](C[C@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000662116052 565351767 /nfs/dbraw/zinc/35/17/67/565351767.db2.gz XWLSWVHNPFDICJ-HIFRSBDPSA-N 1 0 389.323 2.970 20 0 GFADRO COC(=O)[C@@H]1C[N@H+](Cc2ccc(OC)c(O)c2Br)C[C@H]1C1CC1 ZINC000593696564 565357295 /nfs/dbraw/zinc/35/72/95/565357295.db2.gz HMKLOQMELBBPTI-QWHCGFSZSA-N 1 0 384.270 2.794 20 0 GFADRO COc1cc(C[N@H+](C)[C@@H](C)CCO)cc(I)c1OC ZINC000593694661 565357384 /nfs/dbraw/zinc/35/73/84/565357384.db2.gz PKEMCNKUWQUBMJ-JTQLQIEISA-N 1 0 379.238 2.511 20 0 GFADRO C[C@@H]1CN(C[C@@H](O)C[NH2+]CC(C)(C)c2ccc(Br)cc2)C[C@H](C)O1 ZINC000619742079 565357904 /nfs/dbraw/zinc/35/79/04/565357904.db2.gz NSPIUIWGSUCEEZ-DAYGRLMNSA-N 1 0 399.373 2.786 20 0 GFADRO NC(=O)[C@@H](c1cccc(Br)c1)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662295701 565358856 /nfs/dbraw/zinc/35/88/56/565358856.db2.gz WMFBHFZMQHXHHN-DOTOQJQBSA-N 1 0 380.330 2.687 20 0 GFADRO NC(=O)[C@@H](c1ccc(Br)cc1)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662291134 565359248 /nfs/dbraw/zinc/35/92/48/565359248.db2.gz BKSBJAUCVILDBY-NVXWUHKLSA-N 1 0 380.330 2.687 20 0 GFADRO NC(=O)[C@@H](c1ccc(Br)cc1)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662296474 565359377 /nfs/dbraw/zinc/35/93/77/565359377.db2.gz KYJGEFYQYOOUMW-DOTOQJQBSA-N 1 0 380.330 2.687 20 0 GFADRO COc1ccc(NC(=O)NCCC2(C[NH3+])CC2)c(I)c1 ZINC000593762211 565359486 /nfs/dbraw/zinc/35/94/86/565359486.db2.gz AFMNQZYZPQGHOC-UHFFFAOYSA-N 1 0 389.237 2.550 20 0 GFADRO O=C(NCCC1CC[NH2+]CC1)Nc1cccc(F)c1I ZINC000593763398 565359493 /nfs/dbraw/zinc/35/94/93/565359493.db2.gz LHTGLLNYMNFHAI-UHFFFAOYSA-N 1 0 391.228 2.942 20 0 GFADRO Cn1cc([C@@H]2CN(Cc3oc4ccccc4c3Br)C[C@H]2[NH3+])cn1 ZINC000662283456 565359663 /nfs/dbraw/zinc/35/96/63/565359663.db2.gz OLVLTRLFSCYSNI-UONOGXRCSA-N 1 0 375.270 2.856 20 0 GFADRO COc1ccc(NC(=O)N2C[C@@H](SC)[C@H]([NH+](C)C)C2)c(C(F)(F)F)n1 ZINC000619798131 565360006 /nfs/dbraw/zinc/36/00/06/565360006.db2.gz UWEAIEMZVNPIQZ-GHMZBOCLSA-N 1 0 378.420 2.618 20 0 GFADRO C[NH+](C)CCC[C@@H]1CN(C[C@H](O)COc2c(Cl)cccc2Cl)CCO1 ZINC000662318829 565360241 /nfs/dbraw/zinc/36/02/41/565360241.db2.gz HGWFNLNHDXUADU-LSDHHAIUSA-N 1 0 391.339 2.776 20 0 GFADRO COc1ccc(CCNC(=O)[C@H](N)c2ccccc2Br)cc1OC ZINC000662344718 565362247 /nfs/dbraw/zinc/36/22/47/565362247.db2.gz RXOSZNDSUQPMBC-QGZVFWFLSA-N 1 0 393.281 2.825 20 0 GFADRO CC1CC[NH+](CCCNC(=O)c2sc3c(c2Br)CNC3)CC1 ZINC000662356373 565363552 /nfs/dbraw/zinc/36/35/52/565363552.db2.gz PDJNEUARCUWQLZ-UHFFFAOYSA-N 1 0 386.359 2.966 20 0 GFADRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1sc2c(c1Br)CNC2 ZINC000662403449 565366118 /nfs/dbraw/zinc/36/61/18/565366118.db2.gz MCRSTTYAEQQYAO-WDEREUQCSA-N 1 0 386.359 2.964 20 0 GFADRO C[NH2+]C[C@H]1CCCN1C(=O)Cc1ccc(Br)c(Br)c1 ZINC000662426731 565368009 /nfs/dbraw/zinc/36/80/09/565368009.db2.gz AVFHENXTZPNIJG-LLVKDONJSA-N 1 0 390.119 2.965 20 0 GFADRO CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662446080 565368936 /nfs/dbraw/zinc/36/89/36/565368936.db2.gz VSFRSCLHUKTZIR-CQSZACIVSA-N 1 0 398.212 2.932 20 0 GFADRO O=C(NCCc1nc2cc(Cl)ccc2s1)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC000662460442 565370441 /nfs/dbraw/zinc/37/04/41/565370441.db2.gz JICKUCFCNMACJX-JTQLQIEISA-N 1 0 375.885 2.722 20 0 GFADRO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)[C@@H](N)c2ccccc2Br)C1 ZINC000662487073 565371069 /nfs/dbraw/zinc/37/10/69/565371069.db2.gz SALCVWFGSUKDPV-YOEHRIQHSA-N 1 0 380.330 2.639 20 0 GFADRO C[C@H](Cc1ccccc1Br)NC(=O)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC000662499600 565372774 /nfs/dbraw/zinc/37/27/74/565372774.db2.gz DOUOJJQVNLSYGD-DGCLKSJQSA-N 1 0 377.286 2.610 20 0 GFADRO O=C(c1sc2c(c1Br)CNC2)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000662520890 565373355 /nfs/dbraw/zinc/37/33/55/565373355.db2.gz BBZCZXAEDMDOQT-QWRGUYRKSA-N 1 0 384.343 2.576 20 0 GFADRO O=C(Nc1cnc2c(Br)cccn12)c1cc(C2CC[NH2+]CC2)no1 ZINC000662539411 565376141 /nfs/dbraw/zinc/37/61/41/565376141.db2.gz CZPUEOYTHAYSET-UHFFFAOYSA-N 1 0 390.241 2.804 20 0 GFADRO COCC[NH2+]C1CCN(C(=O)C(C)(C)Oc2ccc(Br)cc2)CC1 ZINC000662580236 565378648 /nfs/dbraw/zinc/37/86/48/565378648.db2.gz FAFMVAQDBLWFGK-UHFFFAOYSA-N 1 0 399.329 2.834 20 0 GFADRO C[NH+](C)CCn1ccc(C(=O)N2CC[C@@H]2c2ccc(Br)cc2)n1 ZINC000620334061 565378875 /nfs/dbraw/zinc/37/88/75/565378875.db2.gz SNNUGGLEZDDNOO-MRXNPFEDSA-N 1 0 377.286 2.794 20 0 GFADRO CC(C)[C@H]([NH3+])CCNC(=O)[C@H](NC(=O)c1ccccc1Br)C(C)C ZINC000662725406 565382764 /nfs/dbraw/zinc/38/27/64/565382764.db2.gz ZZPJPLVSPNLWIT-HZPDHXFCSA-N 1 0 398.345 2.693 20 0 GFADRO O=C([C@@H]1CCO[C@H]1c1cncc(Br)c1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000662778403 565384427 /nfs/dbraw/zinc/38/44/27/565384427.db2.gz LHZXHLHLABWVDB-SOLBZPMBSA-N 1 0 394.313 2.524 20 0 GFADRO Cn1cc([C@H]2N(C(=O)[C@@](C)([NH3+])c3ccc(Br)cc3)CC2(C)C)cn1 ZINC000662755151 565384619 /nfs/dbraw/zinc/38/46/19/565384619.db2.gz DISSSNNJALWCNZ-QAPCUYQASA-N 1 0 391.313 2.966 20 0 GFADRO CC(C)(C)n1cc(Br)c(C(=O)Nc2ccc(OCC[NH3+])cc2)n1 ZINC000662763989 565384799 /nfs/dbraw/zinc/38/47/99/565384799.db2.gz GUXUONXKSGVUGB-UHFFFAOYSA-N 1 0 381.274 2.990 20 0 GFADRO [NH3+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2CCO[C@H]2c2cncc(Br)c2)CC1 ZINC000662779558 565384821 /nfs/dbraw/zinc/38/48/21/565384821.db2.gz KWPMXTYUICVJHW-KFZJALRRSA-N 1 0 396.329 2.803 20 0 GFADRO C[NH+]1CCC2(CCN(S(=O)(=O)Cc3ccccc3Br)C2)CC1 ZINC000641584640 565385065 /nfs/dbraw/zinc/38/50/65/565385065.db2.gz ANLWBESCRXITBT-UHFFFAOYSA-N 1 0 387.343 2.697 20 0 GFADRO O=C(N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)C1([NH2+]C2CC2)CCC1 ZINC000662797715 565386123 /nfs/dbraw/zinc/38/61/23/565386123.db2.gz ACGNPPBKGQBCQB-HNNXBMFYSA-N 1 0 382.291 2.890 20 0 GFADRO O=C(N1CCC([N@@H+]2CC[C@H](O)C2)CC1)C1(c2cccc(Br)c2)CC1 ZINC000620491789 565386254 /nfs/dbraw/zinc/38/62/54/565386254.db2.gz QQKDWNLLVYPVTA-KRWDZBQOSA-N 1 0 393.325 2.538 20 0 GFADRO O=C(N[C@@H]1COc2cc(F)c(Br)cc21)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662811098 565386274 /nfs/dbraw/zinc/38/62/74/565386274.db2.gz GUVIVQOOUDAQPJ-ZWNOBZJWSA-N 1 0 397.166 2.680 20 0 GFADRO Cc1cc(CCC(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)ccc1Br ZINC000620482390 565386415 /nfs/dbraw/zinc/38/64/15/565386415.db2.gz NRIZKKKWNUJGMG-KRWDZBQOSA-N 1 0 395.341 2.748 20 0 GFADRO C[C@H](C[NH+](C)C)[C@H]1CCCCN1S(=O)(=O)c1ncccc1C(F)(F)F ZINC000641622867 565386712 /nfs/dbraw/zinc/38/67/12/565386712.db2.gz CUMBUTNKTLWZOM-TZMCWYRMSA-N 1 0 379.448 2.841 20 0 GFADRO C[C@@H]1[C@@H](c2ccc(Br)cc2)OCCN1C(=O)c1ccnc(C[NH3+])c1 ZINC000662859625 565388154 /nfs/dbraw/zinc/38/81/54/565388154.db2.gz PPNONBARCSJYJO-PXAZEXFGSA-N 1 0 390.281 2.905 20 0 GFADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N[C@H](C)C(C)(C)C[NH+](C)C)c1F ZINC000594462373 565388746 /nfs/dbraw/zinc/38/87/46/565388746.db2.gz CGLWNYUSUZSYNR-SNVBAGLBSA-N 1 0 394.896 2.520 20 0 GFADRO CCC[N@H+](C)CC(C)(C)NC(=O)CSc1nnc(-c2cccs2)n1C ZINC000620623960 565389717 /nfs/dbraw/zinc/38/97/17/565389717.db2.gz JTOKNLNODYOONL-UHFFFAOYSA-N 1 0 381.571 2.872 20 0 GFADRO O=C(N[C@H]1CCC[N@H+](CCN2CCOCC2)C1)c1cc(Cl)ccc1Cl ZINC000641665722 565391387 /nfs/dbraw/zinc/39/13/87/565391387.db2.gz XHEWKSQGRIRAQY-HNNXBMFYSA-N 1 0 386.323 2.520 20 0 GFADRO O=C(N[C@H]1CCC[N@H+](CCN2CCOCC2)C1)c1cc(Cl)cc(Cl)c1 ZINC000641664071 565391419 /nfs/dbraw/zinc/39/14/19/565391419.db2.gz HDXUJUNHAVTWKI-KRWDZBQOSA-N 1 0 386.323 2.520 20 0 GFADRO C[C@@H]1CN(C(=O)[C@@](C)([NH3+])c2ccc(Br)cc2)C[C@](C)(C(F)F)O1 ZINC000663004064 565392353 /nfs/dbraw/zinc/39/23/53/565392353.db2.gz KRRZRPFONBRSDK-GTTSAUCSSA-N 1 0 391.256 2.894 20 0 GFADRO N[C@@H](C(=O)NC[C@@H]1CCC[N@H+](CC2CC2)C1)c1ccccc1Br ZINC000663004134 565392382 /nfs/dbraw/zinc/39/23/82/565392382.db2.gz PNZQMMDOBGHQID-WMLDXEAASA-N 1 0 380.330 2.687 20 0 GFADRO C[NH+](C)C[C@@](C)(O)CNCc1cc(Br)sc1Br ZINC000641742501 565397199 /nfs/dbraw/zinc/39/71/99/565397199.db2.gz MKNZRCNSKRQTJP-NSHDSACASA-N 1 0 386.153 2.675 20 0 GFADRO C[C@@H]1OCC[C@@]1(O)C[NH2+]Cc1cc(Br)sc1Br ZINC000641750781 565397548 /nfs/dbraw/zinc/39/75/48/565397548.db2.gz NDCWTYKTWWQQEZ-WRWORJQWSA-N 1 0 385.121 2.903 20 0 GFADRO CC(C)([NH3+])CCNC(=O)Nc1cc(Br)ccc1N1CCOCC1 ZINC000641813777 565399720 /nfs/dbraw/zinc/39/97/20/565399720.db2.gz FIFABRNZDZRQRP-UHFFFAOYSA-N 1 0 385.306 2.535 20 0 GFADRO Cc1cc(Cl)cc(NC(=O)C(=O)NCCC(C)(C)[NH3+])c1Br ZINC000641822046 565399916 /nfs/dbraw/zinc/39/99/16/565399916.db2.gz MFFNWIQZAJWPHS-UHFFFAOYSA-N 1 0 376.682 2.593 20 0 GFADRO CC[C@@H]1CN(C(=O)Cc2csc(NC(=O)c3cccs3)n2)C[C@H](C)[NH2+]1 ZINC000620906517 565401267 /nfs/dbraw/zinc/40/12/67/565401267.db2.gz GDYBOHVAQGHBDM-NWDGAFQWSA-N 1 0 378.523 2.598 20 0 GFADRO C[NH+](C)C[C@H]1COC2(CCCC2)CN1C(=O)c1cncc(Br)c1 ZINC000620917466 565402193 /nfs/dbraw/zinc/40/21/93/565402193.db2.gz JHXBNINTLHMXLU-HNNXBMFYSA-N 1 0 382.302 2.560 20 0 GFADRO O=C(NCC1CC[NH+](CC2CC2)CC1)c1[nH]nc(C2CC2)c1Br ZINC000620930510 565402461 /nfs/dbraw/zinc/40/24/61/565402461.db2.gz SAASKOLYYOWFBX-UHFFFAOYSA-N 1 0 381.318 2.901 20 0 GFADRO C[C@@H](NC(=O)C(=O)N[C@H]1CCC[NH2+]CC1)c1cc(F)c(Cl)cc1Cl ZINC000642096177 565405197 /nfs/dbraw/zinc/40/51/97/565405197.db2.gz LECRRVPNNPOIIS-ZJUUUORDSA-N 1 0 376.259 2.568 20 0 GFADRO O=C(NC[C@@H]1CCC[N@H+](CC2CC2)C1)c1cn2ccc(Br)cc2n1 ZINC000621110026 565406032 /nfs/dbraw/zinc/40/60/32/565406032.db2.gz HROSGBVYIZZIID-AWEZNQCLSA-N 1 0 391.313 2.949 20 0 GFADRO O=C(Cc1ccc(Br)cc1O)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000621108749 565406423 /nfs/dbraw/zinc/40/64/23/565406423.db2.gz HTTNOAGZPUSALD-CQSZACIVSA-N 1 0 381.314 2.935 20 0 GFADRO CN([C@@H](C[NH3+])C(F)(F)F)S(=O)(=O)c1ccc(C(F)(F)F)cc1Cl ZINC000663312126 565410978 /nfs/dbraw/zinc/41/09/78/565410978.db2.gz UOEUZVFMPXPNPP-VIFPVBQESA-N 1 0 384.729 2.869 20 0 GFADRO CN([C@@H](C[NH3+])C(F)(F)F)S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000663309897 565411698 /nfs/dbraw/zinc/41/16/98/565411698.db2.gz DNOZXKWYUFGVSR-QMMMGPOBSA-N 1 0 384.729 2.869 20 0 GFADRO COc1cc(CN2CCC(CC[NH+]3CCOCC3)CC2)c(Br)cn1 ZINC000621252780 565411632 /nfs/dbraw/zinc/41/16/32/565411632.db2.gz CWSABPIAQDNUMP-UHFFFAOYSA-N 1 0 398.345 2.787 20 0 GFADRO Cc1cc(S(=O)(=O)NCC[N@H+]2CCC[C@H](C)C2)ccc1Br ZINC000642523598 565413573 /nfs/dbraw/zinc/41/35/73/565413573.db2.gz YRKGIUYFWUXQMP-LBPRGKRZSA-N 1 0 375.332 2.768 20 0 GFADRO C[C@H](CNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)[N@@H+]1CCC[C@H](C)C1 ZINC000642515726 565413600 /nfs/dbraw/zinc/41/36/00/565413600.db2.gz ASQWWLQWWCWGAQ-QWHCGFSZSA-N 1 0 380.432 2.984 20 0 GFADRO O[C@H](C[NH2+]C1CCN([C@H]2CCOC2)CC1)COc1ccc(Cl)c(Cl)c1 ZINC000663363327 565414936 /nfs/dbraw/zinc/41/49/36/565414936.db2.gz JEXMQVGINZKUDN-LSDHHAIUSA-N 1 0 389.323 2.576 20 0 GFADRO O[C@H](C[NH2+]C1CCN([C@H]2CCOC2)CC1)COc1ccc(Cl)cc1Cl ZINC000663363113 565415153 /nfs/dbraw/zinc/41/51/53/565415153.db2.gz HKUWDPQQSZYTLR-JKSUJKDBSA-N 1 0 389.323 2.576 20 0 GFADRO C[N@@H+]1CCN(CCN=c2[nH]c3c(cccc3Br)s2)CC1(C)C ZINC000621310496 565419335 /nfs/dbraw/zinc/41/93/35/565419335.db2.gz VGWJWEPAVWENKI-UHFFFAOYSA-N 1 0 383.359 2.919 20 0 GFADRO C[C@@H](NC(=O)NCCN1C[C@@H](C)OC[C@@H]1C)c1ccc(Br)cc1 ZINC000663441756 565421759 /nfs/dbraw/zinc/42/17/59/565421759.db2.gz AKZJRZTZYGXLKW-BFHYXJOUSA-N 1 0 384.318 2.919 20 0 GFADRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1c1nc2c(cccc2Br)s1 ZINC000621332817 565421831 /nfs/dbraw/zinc/42/18/31/565421831.db2.gz IPGZTQAACXTORK-SNVBAGLBSA-N 1 0 383.315 2.615 20 0 GFADRO O=C(CCCSc1ccc(Br)cc1)N1CCOC2(C[NH2+]C2)C1 ZINC000663490314 565422442 /nfs/dbraw/zinc/42/24/42/565422442.db2.gz TVOIHKLFGOHYLN-UHFFFAOYSA-N 1 0 385.327 2.522 20 0 GFADRO O=C(c1csc(-c2ccc(Cl)cc2Cl)n1)N1CCOC2(C[NH2+]C2)C1 ZINC000663494149 565422961 /nfs/dbraw/zinc/42/29/61/565422961.db2.gz PNMBEKZDLNUTQS-UHFFFAOYSA-N 1 0 384.288 2.931 20 0 GFADRO CN(CC(C)(C)C[NH3+])C(=O)C(=O)Nc1ccc(OC(F)(F)F)cc1Cl ZINC000663603366 565427959 /nfs/dbraw/zinc/42/79/59/565427959.db2.gz IAJWLPHKYCVBLB-UHFFFAOYSA-N 1 0 381.782 2.620 20 0 GFADRO C[NH+](C)C1CCC(NC(=O)c2cnc3ncc(Br)cc3c2)CC1 ZINC000643325766 565430236 /nfs/dbraw/zinc/43/02/36/565430236.db2.gz PVUUTEMWEUJKCC-UHFFFAOYSA-N 1 0 377.286 2.995 20 0 GFADRO COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]CCC(=O)Nc1ccc(Br)cc1C ZINC000594925522 565435876 /nfs/dbraw/zinc/43/58/76/565435876.db2.gz MHHVIEFVGKDDAG-IACUBPJLSA-N 1 0 383.286 2.873 20 0 GFADRO [NH3+][C@]12CCC[C@@H]1CN(C(=O)c1ncc(Br)cc1Br)C2 ZINC000621680618 565437270 /nfs/dbraw/zinc/43/72/70/565437270.db2.gz FIHAGIHQFMNTML-OQPBUACISA-N 1 0 389.091 2.560 20 0 GFADRO CC(C)(C[NH2+]Cc1ccc(I)cc1)[C@@]1(O)CCCOC1 ZINC000594997529 565441406 /nfs/dbraw/zinc/44/14/06/565441406.db2.gz YKDFNRLVNLZFGW-MRXNPFEDSA-N 1 0 389.277 2.949 20 0 GFADRO C[C@@H](CN1CCOCC1)[NH2+][C@H]1CCc2ccc(I)cc21 ZINC000595010186 565442729 /nfs/dbraw/zinc/44/27/29/565442729.db2.gz IOQBRMKABAYBTJ-LRDDRELGSA-N 1 0 386.277 2.589 20 0 GFADRO COc1cc(Br)c(CNC(=O)NCC[C@@H](C)[NH+](C)C)cc1OC ZINC000663940475 565444430 /nfs/dbraw/zinc/44/44/30/565444430.db2.gz ZRKSCBMXEMYXRV-LLVKDONJSA-N 1 0 388.306 2.606 20 0 GFADRO O=C(NCC(F)(F)c1ccc(Br)cc1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000621851311 565444521 /nfs/dbraw/zinc/44/45/21/565444521.db2.gz QLCIEMVZXODUMR-SMDDNHRTSA-N 1 0 388.256 2.934 20 0 GFADRO COCC[C@@H](COC)[NH2+][C@H]1CCc2ccc(I)cc21 ZINC000595037078 565444989 /nfs/dbraw/zinc/44/49/89/565444989.db2.gz AZFLQPBBWJQBGX-ZFWWWQNUSA-N 1 0 375.250 2.920 20 0 GFADRO Ic1ccc2c(c1)[C@@H]([NH2+]CC1(N3CCOCC3)CC1)CC2 ZINC000595045479 565445390 /nfs/dbraw/zinc/44/53/90/565445390.db2.gz MWJOCTHDOQNPGD-INIZCTEOSA-N 1 0 398.288 2.733 20 0 GFADRO O=C(NC[C@H]1CCC[N@@H+]1Cc1ccccc1)c1cc(Br)c[nH]c1=O ZINC000621870000 565446317 /nfs/dbraw/zinc/44/63/17/565446317.db2.gz URAVQSHXCQZMON-OAHLLOKOSA-N 1 0 390.281 2.944 20 0 GFADRO CN(CCC[NH+](C)C)CCNC(=O)N[C@@H]1COc2c1ccc(Cl)c2Cl ZINC000664237811 565455807 /nfs/dbraw/zinc/45/58/07/565455807.db2.gz TVYWZFZQJPFGEA-CQSZACIVSA-N 1 0 389.327 2.610 20 0 GFADRO C[C@H]1CCCN(C(=O)c2ncc(Br)cc2Br)[C@H]1C[NH3+] ZINC000644063553 565456152 /nfs/dbraw/zinc/45/61/52/565456152.db2.gz HXQJHKYTSDGKCR-KWQFWETISA-N 1 0 391.107 2.806 20 0 GFADRO C[C@H](CNC(=O)[C@H]1C[NH2+]CCC1(F)F)Oc1cccc(Br)c1 ZINC000644042933 565456172 /nfs/dbraw/zinc/45/61/72/565456172.db2.gz BQPQMXZSIVJHPW-ZWNOBZJWSA-N 1 0 377.229 2.577 20 0 GFADRO C[C@H](Cc1ccc(F)c(Br)c1)NC(=O)[C@@H]1C[NH2+]CCC1(F)F ZINC000644055277 565456201 /nfs/dbraw/zinc/45/62/01/565456201.db2.gz IEBSYFXGKKQZKG-KOLCDFICSA-N 1 0 379.220 2.880 20 0 GFADRO COc1ccc(NC(=O)NCC[C@@H]([NH3+])C(C)C)c(I)c1 ZINC000595231954 565456925 /nfs/dbraw/zinc/45/69/25/565456925.db2.gz LAJCWQOSJBFHQF-GFCCVEGCSA-N 1 0 391.253 2.795 20 0 GFADRO [NH3+]C1CCC(NC(=O)Nc2ccc(I)cc2F)CC1 ZINC000595234524 565457088 /nfs/dbraw/zinc/45/70/88/565457088.db2.gz KAOOGULTDODUJL-UHFFFAOYSA-N 1 0 377.201 2.822 20 0 GFADRO COc1ccc(I)c(NC(=O)N(C)CC(C)(C)[NH3+])c1 ZINC000595228419 565457138 /nfs/dbraw/zinc/45/71/38/565457138.db2.gz GKPQCPASZDBSJL-UHFFFAOYSA-N 1 0 377.226 2.501 20 0 GFADRO [NH3+][C@@H]1CN(C(=O)CSCc2ccc(Br)cc2F)CC[C@H]1F ZINC000595260863 565459852 /nfs/dbraw/zinc/45/98/52/565459852.db2.gz MWFCRVZUEWKCGW-DGCLKSJQSA-N 1 0 379.270 2.719 20 0 GFADRO CC(C)[C@H](C(=O)Nc1nc2cc(I)ccc2[nH]1)[C@H](C)[NH3+] ZINC000595259378 565460127 /nfs/dbraw/zinc/46/01/27/565460127.db2.gz LPGJFSJQUJWHOY-UFBFGSQYSA-N 1 0 386.237 2.725 20 0 GFADRO COCC[C@H](Cc1cccc(Br)c1)C(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000644143704 565460444 /nfs/dbraw/zinc/46/04/44/565460444.db2.gz CLWIDPUHIFCXIR-WBVHZDCISA-N 1 0 395.341 2.903 20 0 GFADRO C[C@H]([NH3+])C[C@H](C)NC(=O)NCc1cc(Cl)ccc1I ZINC000595274515 565460520 /nfs/dbraw/zinc/46/05/20/565460520.db2.gz RWXFBBALZNBFEE-IUCAKERBSA-N 1 0 395.672 2.870 20 0 GFADRO O=C(NCC1CC[NH+](Cc2ccncc2)CC1)c1ncc(Br)s1 ZINC000664344782 565460565 /nfs/dbraw/zinc/46/05/65/565460565.db2.gz JUMVOOIBKHPIIY-UHFFFAOYSA-N 1 0 395.326 2.943 20 0 GFADRO COc1cc(Br)ccc1[C@@H](C)NC(=O)[C@H]1C[NH2+]CCC1(F)F ZINC000644151232 565461090 /nfs/dbraw/zinc/46/10/90/565461090.db2.gz FETIMYYOMFITHG-BXKDBHETSA-N 1 0 377.229 2.880 20 0 GFADRO CC(=O)N1CCC(C[NH2+]C[C@@H](O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000644547778 565481914 /nfs/dbraw/zinc/48/19/14/565481914.db2.gz RIPUFBXVNYITTI-CQSZACIVSA-N 1 0 375.296 2.581 20 0 GFADRO C[C@@H]1CN(C[C@H](O)C[NH2+]CC2(c3cccc(Br)c3)CC2)C[C@H](C)O1 ZINC000644567917 565482739 /nfs/dbraw/zinc/48/27/39/565482739.db2.gz OFVFVGWBQRTISM-RVKKMQEKSA-N 1 0 397.357 2.540 20 0 GFADRO C[C@H](Cc1cc(Br)ccc1F)[NH2+]C[C@H](O)COC1CCOCC1 ZINC000644609292 565483805 /nfs/dbraw/zinc/48/38/05/565483805.db2.gz ZNGWOSNLHIMANK-DOMZBBRYSA-N 1 0 390.293 2.665 20 0 GFADRO CC(=O)N1CCC[C@H](C[NH2+]C[C@H](O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000644636386 565486738 /nfs/dbraw/zinc/48/67/38/565486738.db2.gz GPWBRZCESGZECH-KGLIPLIRSA-N 1 0 375.296 2.581 20 0 GFADRO CS(=O)(=O)CC1(C[NH2+]C[C@H](O)COc2ccc(Cl)c(Cl)c2)CCC1 ZINC000644672034 565489145 /nfs/dbraw/zinc/48/91/45/565489145.db2.gz BAOGVIPQXVKNRM-LBPRGKRZSA-N 1 0 396.336 2.538 20 0 GFADRO O=C(Nc1cccc(C[N@H+]2CC[C@H](O)C2)c1)c1cccc(Br)c1[O-] ZINC000644693700 565490054 /nfs/dbraw/zinc/49/00/54/565490054.db2.gz CMDHRHHGFRYVOZ-AWEZNQCLSA-N 1 0 391.265 2.974 20 0 GFADRO C[NH+](C)CCOc1cccc(NC(=O)c2cc(Br)c[nH]c2=O)c1 ZINC000623017925 565490459 /nfs/dbraw/zinc/49/04/59/565490459.db2.gz OVRITQBVDQOFHJ-UHFFFAOYSA-N 1 0 380.242 2.742 20 0 GFADRO O=C(Cc1ccc(Br)cc1F)N1CCN(c2ccccn2)CC1 ZINC000665155120 565491175 /nfs/dbraw/zinc/49/11/75/565491175.db2.gz NIFISDUGQRQBSP-UHFFFAOYSA-N 1 0 378.245 2.875 20 0 GFADRO O=C(c1nc(C2CC2)ncc1Br)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000623066717 565493023 /nfs/dbraw/zinc/49/30/23/565493023.db2.gz NOVSDDDPJKDDSI-OLZOCXBDSA-N 1 0 379.302 2.578 20 0 GFADRO COC(=O)[C@@H](c1cccc(Cl)c1Cl)N(C)C[C@@H](O)C[N@H+](C)C(C)C ZINC000595853779 565495431 /nfs/dbraw/zinc/49/54/31/565495431.db2.gz YBXBDSKEXGXCFP-BLLLJJGKSA-N 1 0 377.312 2.840 20 0 GFADRO COc1cc2[nH+]ccc(N[C@@H](C)[C@H]3CN(C)CCO3)c2cc1Br ZINC000644872444 565500265 /nfs/dbraw/zinc/50/02/65/565500265.db2.gz CMHBRNSAIROIAN-APPDUMDISA-N 1 0 380.286 2.559 20 0 GFADRO CSCC[C@@H](NC(=O)c1ccccc1Cl)C(=O)NCC[C@@H]([NH3+])C(C)C ZINC000595950774 565502146 /nfs/dbraw/zinc/50/21/46/565502146.db2.gz LUHCVUOHZZNQRZ-HZPDHXFCSA-N 1 0 385.961 2.681 20 0 GFADRO CC(C)[NH+]1CCC(NC(=O)[C@@H]2CCO[C@H]2c2cncc(Br)c2)CC1 ZINC000665508904 565502874 /nfs/dbraw/zinc/50/28/74/565502874.db2.gz PXRHODMKDJWTRM-SJORKVTESA-N 1 0 396.329 2.911 20 0 GFADRO CCOC(=O)[C@]1(C)CCC[C@@H]1NC(=O)[C@@](C)([NH3+])c1ccc(Br)cc1 ZINC000595950254 565502782 /nfs/dbraw/zinc/50/27/82/565502782.db2.gz RWCNLXCXJPBGGR-QGTPRVQTSA-N 1 0 397.313 2.861 20 0 GFADRO CC[C@H]1[NH2+]CC[C@@H]1C(=O)N1Cc2sc(C(=O)OC)c(Br)c2C1 ZINC000596000770 565504638 /nfs/dbraw/zinc/50/46/38/565504638.db2.gz OYIVIZWSZIAKQY-WCBMZHEXSA-N 1 0 387.299 2.528 20 0 GFADRO C[C@@H](NC(=O)N1CC[C@H]([NH+]2CCCCC2)C1)c1ncc(Br)cn1 ZINC000644969118 565504784 /nfs/dbraw/zinc/50/47/84/565504784.db2.gz AHBXVAWJODBNCC-OCCSQVGLSA-N 1 0 382.306 2.570 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000665628245 565506295 /nfs/dbraw/zinc/50/62/95/565506295.db2.gz HZKKCMYWNPYWJH-OAHLLOKOSA-N 1 0 382.302 2.820 20 0 GFADRO OC1(C[NH2+]Cc2cc(Cl)cc(Cl)c2OCCN2CCOCC2)CCC1 ZINC000623412387 565509072 /nfs/dbraw/zinc/50/90/72/565509072.db2.gz HNRQMOOKINHPBY-UHFFFAOYSA-N 1 0 389.323 2.709 20 0 GFADRO Cc1cc(C[NH2+]Cc2ccccc2CS(C)(=O)=O)ncc1Br ZINC000623440207 565510439 /nfs/dbraw/zinc/51/04/39/565510439.db2.gz NCGQEQJYYWQAGH-UHFFFAOYSA-N 1 0 383.311 2.987 20 0 GFADRO CCOC(=O)[C@]1(C)CCC[C@H]1[NH2+][C@H](C(N)=O)c1ccc(Br)cc1 ZINC000596050158 565510953 /nfs/dbraw/zinc/51/09/53/565510953.db2.gz ISMVFACHLHIUBB-JKIFEVAISA-N 1 0 383.286 2.687 20 0 GFADRO C[C@@H](NC(=O)N1CN(CC[NH+](C)C)C(=O)[C@@H]1C)c1ccc(Cl)cc1Cl ZINC000645102564 565512452 /nfs/dbraw/zinc/51/24/52/565512452.db2.gz ACMRMSAEEYYEEN-NEPJUHHUSA-N 1 0 387.311 2.816 20 0 GFADRO C[N@@H+]1CCCC[C@@H]1CCSc1nnc(-c2cccs2)n1CCC(N)=O ZINC000623452852 565512588 /nfs/dbraw/zinc/51/25/88/565512588.db2.gz RMELUNMXFMGTNC-CYBMUJFWSA-N 1 0 379.555 2.849 20 0 GFADRO COc1cc(C[NH2+]CCOc2ccc(NS(C)(=O)=O)cc2)ccc1Cl ZINC000623482759 565512762 /nfs/dbraw/zinc/51/27/62/565512762.db2.gz FNXPASABOYPBQE-UHFFFAOYSA-N 1 0 384.885 2.889 20 0 GFADRO Cc1cc(CNCc2ccnc(OCC[NH+](C)C)c2)ncc1Br ZINC000623476846 565513437 /nfs/dbraw/zinc/51/34/37/565513437.db2.gz RDVLQVDVMRLGFJ-UHFFFAOYSA-N 1 0 379.302 2.778 20 0 GFADRO CN(C)c1c(F)c(F)ccc1C[NH2+]CCn1cc(Br)ccc1=O ZINC000623535227 565517132 /nfs/dbraw/zinc/51/71/32/565517132.db2.gz QPSYVCZKGIGOCO-UHFFFAOYSA-N 1 0 386.240 2.745 20 0 GFADRO CC[C@@H](O)C[NH2+]Cc1cc(Cl)cc(Cl)c1OCCN1CCOCC1 ZINC000623553394 565518052 /nfs/dbraw/zinc/51/80/52/565518052.db2.gz SMVXNOUTQYMDFV-OAHLLOKOSA-N 1 0 377.312 2.565 20 0 GFADRO CC[N@@H+]1CCCC[C@H]1CNC(=O)NCc1cc(Br)cnc1OC ZINC000623598252 565520571 /nfs/dbraw/zinc/52/05/71/565520571.db2.gz WQCGGEXPPCVBBW-AWEZNQCLSA-N 1 0 385.306 2.526 20 0 GFADRO COc1cccc(C[NH2+][C@]2(CO)CCc3cc(Br)ccc3C2)n1 ZINC000623644830 565523404 /nfs/dbraw/zinc/52/34/04/565523404.db2.gz BKJAHFHCOWFHIM-GOSISDBHSA-N 1 0 377.282 2.862 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH2+][C@H]1C[C@H](C(N)=O)C1 ZINC000623663519 565524514 /nfs/dbraw/zinc/52/45/14/565524514.db2.gz OWDHECUHAXWMOA-MQMHXKEQSA-N 1 0 377.286 2.605 20 0 GFADRO CC(C)[C@H](C[NH2+][C@H](C)Cn1cc(Br)ccc1=O)c1ccnn1C ZINC000666131742 565524563 /nfs/dbraw/zinc/52/45/63/565524563.db2.gz XGBXORXTAFKBOT-HIFRSBDPSA-N 1 0 381.318 2.762 20 0 GFADRO NC(=O)[C@H]1C[C@H]([NH2+]Cc2cc(Br)ccc2OCc2ccccn2)C1 ZINC000623663382 565524756 /nfs/dbraw/zinc/52/47/56/565524756.db2.gz IFEAZBIDECOFIB-YGUOUDRMSA-N 1 0 390.281 2.777 20 0 GFADRO CO[C@H](CS(=O)(=O)N[C@H](c1nccn1C)c1ccc(Cl)cc1)C(C)C ZINC000645444943 565526078 /nfs/dbraw/zinc/52/60/78/565526078.db2.gz KKOPWQGPDXGTJB-CVEARBPZSA-N 1 0 385.917 2.753 20 0 GFADRO Cc1cc(Br)cc(C[NH2+]CCN2CC[C@@H](O)C2)c1OC(F)F ZINC000623758892 565528784 /nfs/dbraw/zinc/52/87/84/565528784.db2.gz QUVPWCHVXYRQTI-CYBMUJFWSA-N 1 0 379.245 2.515 20 0 GFADRO C[C@@H](C[NH+]1CCCCC1)NC(=O)c1cc(Br)cc2c1OCCO2 ZINC000666318293 565531477 /nfs/dbraw/zinc/53/14/77/565531477.db2.gz YVWBGYPQEUNSOA-LBPRGKRZSA-N 1 0 383.286 2.825 20 0 GFADRO Cc1ccc(Br)cc1[C@H](C)[NH2+][C@@H]1CCN(CCN2CCOCC2)C1 ZINC000623894813 565534042 /nfs/dbraw/zinc/53/40/42/565534042.db2.gz BRVWHIXBBYIIOA-FUHWJXTLSA-N 1 0 396.373 2.815 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1cc(Br)cc2c1OCCO2 ZINC000666452277 565538299 /nfs/dbraw/zinc/53/82/99/565538299.db2.gz YOBTYRQKMPKLOW-KGLIPLIRSA-N 1 0 381.270 2.577 20 0 GFADRO C[N@@H+]1CCC[C@@H](CNS(=O)(=O)CCOCC2CCC2)[C@H]1c1cccs1 ZINC000645562616 565539314 /nfs/dbraw/zinc/53/93/14/565539314.db2.gz YAFNARPBWHOXPR-WMZOPIPTSA-N 1 0 386.583 2.867 20 0 GFADRO C[C@@H]([NH2+][C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F)C1CCS(=O)(=O)CC1 ZINC000624078423 565542402 /nfs/dbraw/zinc/54/24/02/565542402.db2.gz IAWYCUUVQXHDOT-DJSGYFEHSA-N 1 0 377.428 2.724 20 0 GFADRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)c1ncccc1C(F)(F)F ZINC000645596816 565542817 /nfs/dbraw/zinc/54/28/17/565542817.db2.gz NOHNSSBBUHXISE-FRRDWIJNSA-N 1 0 379.448 2.745 20 0 GFADRO Brc1cccc2c1CC[C@@H]2[NH2+][C@@H]1CCN(c2ccc3nncn3n2)C1 ZINC000624115854 565544283 /nfs/dbraw/zinc/54/42/83/565544283.db2.gz DROIFIWCOWUQQJ-WBMJQRKESA-N 1 0 399.296 2.743 20 0 GFADRO C[C@H](CC(=O)Nc1cccc(Cl)c1)[NH2+][C@@H]1CCCC[C@H]1NS(C)(=O)=O ZINC000624136517 565545169 /nfs/dbraw/zinc/54/51/69/565545169.db2.gz MNJSMHQEFZXJON-DAXOMENPSA-N 1 0 387.933 2.507 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(C(=O)Nc3ccc(I)cc3F)C[C@@H]21 ZINC000597022416 565547229 /nfs/dbraw/zinc/54/72/29/565547229.db2.gz OYFUVEWGZCLVAI-RNCFNFMXSA-N 1 0 389.212 2.598 20 0 GFADRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)Nc2cn(C)cc(Br)c2=O)C1 ZINC000666690326 565549177 /nfs/dbraw/zinc/54/91/77/565549177.db2.gz MXKPQKQHERWHAO-GFCCVEGCSA-N 1 0 399.333 2.780 20 0 GFADRO COC(=O)c1oc(C[NH2+]CCNC(=O)c2cccc(Br)c2)cc1C ZINC000597058473 565550349 /nfs/dbraw/zinc/55/03/49/565550349.db2.gz MBIQSBBLNQNCSL-UHFFFAOYSA-N 1 0 395.253 2.657 20 0 GFADRO C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CCN(C)CC(F)F ZINC000624324505 565551226 /nfs/dbraw/zinc/55/12/26/565551226.db2.gz MRFXXQNVNLNNMN-NSHDSACASA-N 1 0 378.261 2.953 20 0 GFADRO C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@H]1CCN(C2CCC2)C1=O ZINC000624340479 565552445 /nfs/dbraw/zinc/55/24/45/565552445.db2.gz CQVNUYKANSYQIY-LRDDRELGSA-N 1 0 394.313 2.909 20 0 GFADRO Cc1cc(Br)c(F)cc1S(=O)(=O)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000624376777 565553718 /nfs/dbraw/zinc/55/37/18/565553718.db2.gz ZTJAUIZWYRLNNO-NSHDSACASA-N 1 0 391.306 2.850 20 0 GFADRO CCCOc1ccc(Br)cc1S(=O)(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000624404349 565555688 /nfs/dbraw/zinc/55/56/88/565555688.db2.gz NRSKVZSXLSDPRP-DGCLKSJQSA-N 1 0 391.331 2.657 20 0 GFADRO C[C@@H]1CC[C@@H](NS(=O)(=O)Cc2cc(Cl)ccc2Br)C[NH2+]1 ZINC000624404035 565555712 /nfs/dbraw/zinc/55/57/12/565555712.db2.gz GLRNAQLWJNXGFN-BXKDBHETSA-N 1 0 381.723 2.662 20 0 GFADRO [NH3+]C[C@H]1CN(S(=O)(=O)Cc2ccc(Cl)c(F)c2)CC[C@@H]1C(F)(F)F ZINC000624392560 565555902 /nfs/dbraw/zinc/55/59/02/565555902.db2.gz UEPFEZGEUQSHDE-QWRGUYRKSA-N 1 0 388.814 2.768 20 0 GFADRO C[C@H]1CC[C@H](NS(=O)(=O)Cc2cc(Cl)ccc2Br)C[NH2+]1 ZINC000624404036 565555926 /nfs/dbraw/zinc/55/59/26/565555926.db2.gz GLRNAQLWJNXGFN-CABZTGNLSA-N 1 0 381.723 2.662 20 0 GFADRO C[C@]12C[NH2+]C[C@@]1(C)CN(S(=O)(=O)c1cc(Cl)ccc1Br)C2 ZINC000624412365 565556599 /nfs/dbraw/zinc/55/65/99/565556599.db2.gz WLMAGAZICNPZAA-OKILXGFUSA-N 1 0 393.734 2.723 20 0 GFADRO C[C@]12C[NH2+]C[C@@]1(C)CN(S(=O)(=O)c1ccc(OC(F)F)c(Cl)c1)C2 ZINC000624413008 565556969 /nfs/dbraw/zinc/55/69/69/565556969.db2.gz SNLLBHUWYSBCID-GASCZTMLSA-N 1 0 380.844 2.562 20 0 GFADRO CCOC(=O)[C@]1(C)CCC[C@H]1[NH2+]Cc1ncc(I)s1 ZINC000597243126 565557127 /nfs/dbraw/zinc/55/71/27/565557127.db2.gz YSXIDZDIBGJAHB-NOZJJQNGSA-N 1 0 394.278 2.959 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)c1ccc(F)c(I)c1 ZINC000597533592 565562650 /nfs/dbraw/zinc/56/26/50/565562650.db2.gz QLRKWEHEBIZECA-CHWSQXEVSA-N 1 0 376.213 2.643 20 0 GFADRO CCC[N@@H+]1CC[C@H](NC(=O)NC[C@@H](O)COc2cccc(Cl)c2Cl)C1 ZINC000666928806 565563927 /nfs/dbraw/zinc/56/39/27/565563927.db2.gz TWKXBSWRZXDGOI-QWHCGFSZSA-N 1 0 390.311 2.517 20 0 GFADRO CCCC[NH+]1CCC(NC(=O)NCc2cc(Br)cnc2OC)CC1 ZINC000624632393 565567777 /nfs/dbraw/zinc/56/77/77/565567777.db2.gz SWWVFRQMYXXRNW-UHFFFAOYSA-N 1 0 399.333 2.916 20 0 GFADRO C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)C1(c2ccc(I)cc2)CC1 ZINC000597702248 565571014 /nfs/dbraw/zinc/57/10/14/565571014.db2.gz ZQGMUSSBCXWHGQ-SWLSCSKDSA-N 1 0 398.288 2.874 20 0 GFADRO C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)Cc1cccc(I)c1)C2 ZINC000597716234 565571864 /nfs/dbraw/zinc/57/18/64/565571864.db2.gz PXIKCJRWODMFJS-KRWDZBQOSA-N 1 0 398.288 2.778 20 0 GFADRO C[NH+](C)C1(C(=O)NCc2cc(Cl)ccc2I)CC1 ZINC000597894191 565579810 /nfs/dbraw/zinc/57/98/10/565579810.db2.gz JUJQWSOAVGWFLG-UHFFFAOYSA-N 1 0 378.641 2.655 20 0 GFADRO O=C(Nc1cnn(-c2ccccc2Br)c1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000667276181 565580211 /nfs/dbraw/zinc/58/02/11/565580211.db2.gz BWKMZENAHAEMFK-SWLSCSKDSA-N 1 0 390.285 2.851 20 0 GFADRO CCO[C@H](CS(=O)(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1)C1CC1 ZINC000624934367 565583692 /nfs/dbraw/zinc/58/36/92/565583692.db2.gz FIEBOHNAIALOGQ-CRAIPNDOSA-N 1 0 386.583 2.695 20 0 GFADRO CCN(C(=O)c1cccc(F)c1I)[C@@H]1CC[N@H+](C)C1 ZINC000597946639 565583764 /nfs/dbraw/zinc/58/37/64/565583764.db2.gz RADMDLZJPHTVHM-SNVBAGLBSA-N 1 0 376.213 2.597 20 0 GFADRO C[C@H](CCNC(=O)c1cc(F)c(F)cc1I)[NH+](C)C ZINC000597991623 565587109 /nfs/dbraw/zinc/58/71/09/565587109.db2.gz FZXKRCGGUXQOLS-MRVPVSSYSA-N 1 0 382.192 2.639 20 0 GFADRO CCN(C(=O)c1cc(Br)cc(C(=O)OC)c1)[C@@H]1CC[N@H+](CC)C1 ZINC000598040215 565589487 /nfs/dbraw/zinc/58/94/87/565589487.db2.gz NQAIQXWAIJIMOS-OAHLLOKOSA-N 1 0 383.286 2.792 20 0 GFADRO Cc1c(F)c(Br)ccc1NC(=O)N[C@H](C)CN1CC[NH+](C)CC1 ZINC000667500668 565590094 /nfs/dbraw/zinc/59/00/94/565590094.db2.gz XPCCFWNFMZMWOI-LLVKDONJSA-N 1 0 387.297 2.654 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H](NC(=O)C(=O)Nc2ccccc2SCC(F)(F)F)C1 ZINC000667526186 565592651 /nfs/dbraw/zinc/59/26/51/565592651.db2.gz HOSZUIBTEHNPHK-GHMZBOCLSA-N 1 0 375.416 2.666 20 0 GFADRO COc1ccc(Br)c(NC(=O)N2CCOC3(CC[NH+](C)CC3)C2)c1 ZINC000646252968 565593444 /nfs/dbraw/zinc/59/34/44/565593444.db2.gz ZEKBLACIHXSOLD-UHFFFAOYSA-N 1 0 398.301 2.786 20 0 GFADRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(Cc2c(F)cncc2Br)CC1 ZINC000667564609 565594487 /nfs/dbraw/zinc/59/44/87/565594487.db2.gz RSEVEGFJYOLRPH-HUUCEWRRSA-N 1 0 399.352 2.974 20 0 GFADRO CC[C@@H]1CN(C(=O)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC[C@H]1[NH3+] ZINC000667548508 565594539 /nfs/dbraw/zinc/59/45/39/565594539.db2.gz ORHHTCHDNUQORQ-NOZJJQNGSA-N 1 0 377.794 2.883 20 0 GFADRO CC[C@H]1CN(C(=O)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)CC[C@@H]1[NH3+] ZINC000667551929 565594716 /nfs/dbraw/zinc/59/47/16/565594716.db2.gz CVKXEOURZFNHQU-CABZTGNLSA-N 1 0 377.794 2.883 20 0 GFADRO COC(=O)[C@H](NC(=O)C1CC[NH+](C(C)C)CC1)c1ccccc1Br ZINC000598181653 565598149 /nfs/dbraw/zinc/59/81/49/565598149.db2.gz BSVGDAIJQINWEB-MRXNPFEDSA-N 1 0 397.313 2.900 20 0 GFADRO C[C@H]1C[C@@H](C(=O)N2CC[C@@H](Oc3cncc(Br)c3)C2)CC[N@@H+]1C ZINC000646342431 565598791 /nfs/dbraw/zinc/59/87/91/565598791.db2.gz CHMAZMMKQYHWBP-KCQAQPDRSA-N 1 0 382.302 2.554 20 0 GFADRO O=C(N[C@H]1CC[N@@H+](C2CCCCC2)C1)c1cc(I)c[nH]1 ZINC000598217771 565602899 /nfs/dbraw/zinc/60/28/99/565602899.db2.gz BHRJOIBCQLCXHH-LBPRGKRZSA-N 1 0 387.265 2.756 20 0 GFADRO CCC[NH+]1CCC(CNC(=O)c2cc(Br)cc3[nH]c(=O)[nH]c32)CC1 ZINC000667717974 565603194 /nfs/dbraw/zinc/60/31/94/565603194.db2.gz MAGVIXXVBMGROK-UHFFFAOYSA-N 1 0 395.301 2.883 20 0 GFADRO C[N@@H+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)CSc1cccc(Br)c1 ZINC000646446122 565603418 /nfs/dbraw/zinc/60/34/18/565603418.db2.gz XZBFKXQIFFLSBO-CVEARBPZSA-N 1 0 399.354 2.863 20 0 GFADRO [NH3+]Cc1cccc(NC(=O)NC[C@H](CO)Cc2ccccc2Br)c1 ZINC000667735290 565603980 /nfs/dbraw/zinc/60/39/80/565603980.db2.gz PJUCNVPODIESFO-CQSZACIVSA-N 1 0 392.297 2.881 20 0 GFADRO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000646472960 565604244 /nfs/dbraw/zinc/60/42/44/565604244.db2.gz MNIAVFFEWZXZEM-AXAPSJFSSA-N 1 0 384.307 2.897 20 0 GFADRO C[C@@H](NC(=O)Nc1ccc2c(c1F)CC[NH2+]C2)c1ncc(Br)cn1 ZINC000667834644 565607578 /nfs/dbraw/zinc/60/75/78/565607578.db2.gz MSROGZICZMIIOX-SECBINFHSA-N 1 0 394.248 2.907 20 0 GFADRO O=C1Nc2ccc(Br)cc2CC[C@H]1[NH+]1CCC(OCCCO)CC1 ZINC000625226267 565609062 /nfs/dbraw/zinc/60/90/62/565609062.db2.gz ZODRXPZXOKHIML-QGZVFWFLSA-N 1 0 397.313 2.566 20 0 GFADRO C[NH+](C)C1(C(=O)NCC2(c3ccc(Br)cc3)CCOCC2)CC1 ZINC000667879378 565610887 /nfs/dbraw/zinc/61/08/87/565610887.db2.gz QRUJUCZWLOLKKH-UHFFFAOYSA-N 1 0 381.314 2.708 20 0 GFADRO CN(CCC[NH+](C)C)CCNC(=O)Nc1cccc(Br)c1F ZINC000667916705 565613028 /nfs/dbraw/zinc/61/30/28/565613028.db2.gz LRUPIMDCSMBBPN-UHFFFAOYSA-N 1 0 375.286 2.593 20 0 GFADRO CCCN(C(=O)C(=O)Nc1cccc(C)c1Br)[C@@H]1CC[N@H+](C)C1 ZINC000646763584 565617661 /nfs/dbraw/zinc/61/76/61/565617661.db2.gz DDLQRPIVYISLSI-CYBMUJFWSA-N 1 0 382.302 2.639 20 0 GFADRO O=C([C@@H]1CCO[C@H]1c1cncc(Br)c1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000668009363 565618964 /nfs/dbraw/zinc/61/89/64/565618964.db2.gz UUUCEJQIYRRHID-BBWFWOEESA-N 1 0 394.313 2.618 20 0 GFADRO Cc1ccc2c(Cl)c(C(=O)Nc3nc(N4CC[NH2+]CC4)n[nH]3)sc2c1 ZINC000646802768 565619727 /nfs/dbraw/zinc/61/97/27/565619727.db2.gz CYICQNVMMHACRG-UHFFFAOYSA-N 1 0 376.873 2.643 20 0 GFADRO CC[C@@H]1CN(C(=O)c2ccc(OC)cc2I)C[C@H](C)[NH2+]1 ZINC000598531060 565623215 /nfs/dbraw/zinc/62/32/15/565623215.db2.gz FJFJBGLFTGMSTC-WDEREUQCSA-N 1 0 388.249 2.512 20 0 GFADRO CC[C@@H]1CN(C(=O)c2cc(I)ccc2F)C[C@H](C)[NH2+]1 ZINC000598532403 565623379 /nfs/dbraw/zinc/62/33/79/565623379.db2.gz WWELYPABCDOXTJ-GXSJLCMTSA-N 1 0 376.213 2.643 20 0 GFADRO COC(=O)c1sc2c(c1Br)CN(C(=O)CCCC[NH+](C)C)C2 ZINC000598545394 565625028 /nfs/dbraw/zinc/62/50/28/565625028.db2.gz RCLLRKOPXIWGNW-UHFFFAOYSA-N 1 0 389.315 2.871 20 0 GFADRO O=C(NC[C@@H]1CCC[N@H+](CC2CC2)C1)c1cncc(I)c1 ZINC000598563001 565626506 /nfs/dbraw/zinc/62/65/06/565626506.db2.gz YUMQYQCKUVEHCH-ZDUSSCGKSA-N 1 0 399.276 2.538 20 0 GFADRO C[N@@H+]1CCCC[C@@H](CNS(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)C1 ZINC000625419750 565628024 /nfs/dbraw/zinc/62/80/24/565628024.db2.gz KJHBHEUCUOLGOX-NSHDSACASA-N 1 0 382.860 2.952 20 0 GFADRO Cc1cc(S(=O)(=O)NC[C@@H]2CCCC[N@@H+](C)C2)ccc1Br ZINC000625420713 565628647 /nfs/dbraw/zinc/62/86/47/565628647.db2.gz QBXAAYGIDHGVTM-ZDUSSCGKSA-N 1 0 375.332 2.768 20 0 GFADRO COc1cc(CN2C[C@@H](SC)[C@@H]([NH+]3CCCC3)C2)c(Br)cn1 ZINC000598603001 565628729 /nfs/dbraw/zinc/62/87/29/565628729.db2.gz DVMXGCSLMHRUGO-LSDHHAIUSA-N 1 0 386.359 2.864 20 0 GFADRO Cc1ccc(Br)c(S(=O)(=O)NCC[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)c1 ZINC000668150699 565629789 /nfs/dbraw/zinc/62/97/89/565629789.db2.gz DYPRQTVZMJSHER-IPYPFGDCSA-N 1 0 387.343 2.814 20 0 GFADRO Cc1ccc(Br)c(S(=O)(=O)NCC[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)c1 ZINC000668150700 565629914 /nfs/dbraw/zinc/62/99/14/565629914.db2.gz DYPRQTVZMJSHER-VNHYZAJKSA-N 1 0 387.343 2.814 20 0 GFADRO Cc1cccc(S(=O)(=O)NC[C@@H]2CCCC[N@@H+](C)C2)c1Br ZINC000625420859 565630226 /nfs/dbraw/zinc/63/02/26/565630226.db2.gz ISSQKIGQYHJJNH-ZDUSSCGKSA-N 1 0 375.332 2.768 20 0 GFADRO CN1C(=O)NC2(CC[NH+](Cc3cc4cc(Br)ccc4o3)CC2)C1=O ZINC000668166025 565631094 /nfs/dbraw/zinc/63/10/94/565631094.db2.gz NDWOKAIFYJEYFY-UHFFFAOYSA-N 1 0 392.253 2.712 20 0 GFADRO CN1CC[NH+](CC2CCN(C(=O)c3csc(C(F)(F)F)c3)CC2)CC1 ZINC000625434163 565631353 /nfs/dbraw/zinc/63/13/53/565631353.db2.gz GWKDWCOUVXONLT-UHFFFAOYSA-N 1 0 375.460 2.867 20 0 GFADRO COCCN(CCOC)C(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000625535935 565636223 /nfs/dbraw/zinc/63/62/23/565636223.db2.gz XQWAYDXEWNDYKB-INIZCTEOSA-N 1 0 392.327 2.901 20 0 GFADRO CC(C)CN(CC[NH+](C)C)C(=O)c1cc(Br)cc2[nH]c(=O)[nH]c21 ZINC000668300220 565638670 /nfs/dbraw/zinc/63/86/70/565638670.db2.gz FKOPHSHGCKQPDX-UHFFFAOYSA-N 1 0 383.290 2.691 20 0 GFADRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)Cc1ccc(Br)cc1F ZINC000668301481 565638752 /nfs/dbraw/zinc/63/87/52/565638752.db2.gz LCLJSGWAHZDIAC-OAHLLOKOSA-N 1 0 387.293 2.700 20 0 GFADRO CCN(CC)S(=O)(=O)c1ccc(Cl)c(-c2nc([C@@H]3CCC[NH2+]3)no2)c1 ZINC000647156132 565642212 /nfs/dbraw/zinc/64/22/12/565642212.db2.gz QDHGKBQMVKMNII-AWEZNQCLSA-N 1 0 384.889 2.845 20 0 GFADRO COc1cc(C)c(S(=O)(=O)NC[C@H]([NH3+])c2ccccc2OC)cc1Cl ZINC000647187363 565644527 /nfs/dbraw/zinc/64/45/27/565644527.db2.gz LQAHPPGDJSGMKF-AWEZNQCLSA-N 1 0 384.885 2.644 20 0 GFADRO C[C@H](NS(=O)(=O)Cc1ccc(Br)cc1Cl)[C@@H]1CCC[NH2+]C1 ZINC000647203994 565646436 /nfs/dbraw/zinc/64/64/36/565646436.db2.gz HYFPSAHXRGOVEH-WDEREUQCSA-N 1 0 395.750 2.910 20 0 GFADRO OCCN1CCCC[C@H]1C[NH2+]Cc1cc(OC(F)F)ccc1Br ZINC000647214386 565647209 /nfs/dbraw/zinc/64/72/09/565647209.db2.gz YJQYCAJHZWBIAO-ZDUSSCGKSA-N 1 0 393.272 2.987 20 0 GFADRO O=C1[C@H]2CN(Cc3ccc(Br)o3)C[C@H]2C(=O)N1Cc1ccccc1 ZINC000668467328 565648218 /nfs/dbraw/zinc/64/82/18/565648218.db2.gz FGMVMMAIECPLFO-GASCZTMLSA-N 1 0 389.249 2.659 20 0 GFADRO Cc1c(Br)cccc1S(=O)(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647238070 565648304 /nfs/dbraw/zinc/64/83/04/565648304.db2.gz DGRQSNOARNQXHN-ZFWWWQNUSA-N 1 0 387.343 2.910 20 0 GFADRO O=S(=O)(Cc1ccc(Br)cc1)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647237555 565648414 /nfs/dbraw/zinc/64/84/14/565648414.db2.gz DSPMRUNKABDALK-ZBFHGGJFSA-N 1 0 387.343 2.743 20 0 GFADRO O=S(=O)(Cc1ccc(Cl)cc1Br)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000647264762 565651058 /nfs/dbraw/zinc/65/10/58/565651058.db2.gz QTAAMLNWVOHMGY-YGRLFVJLSA-N 1 0 393.734 2.616 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCN(S(=O)(=O)Cc2ccc(Br)cc2Cl)C1 ZINC000647266346 565651118 /nfs/dbraw/zinc/65/11/18/565651118.db2.gz RIJMOJBDXYWGAQ-VHSXEESVSA-N 1 0 381.723 2.601 20 0 GFADRO CC[C@@H]1CN(S(=O)(=O)c2cc(Cl)ccc2O[C@H](C)COC)CC[C@H]1[NH3+] ZINC000647268387 565651510 /nfs/dbraw/zinc/65/15/10/565651510.db2.gz AWVDFCMWGJQHOK-UMVBOHGHSA-N 1 0 390.933 2.502 20 0 GFADRO FC(F)Oc1ccc(CN2CC[NH+]([C@H]3CCOC3)CC2)cc1Br ZINC000668536602 565652306 /nfs/dbraw/zinc/65/23/06/565652306.db2.gz YNDYASLCMSMYOC-ZDUSSCGKSA-N 1 0 391.256 2.957 20 0 GFADRO CN(C)C(=O)CN(CC[NH+](C)C)Cc1c(Cl)cc(Cl)cc1N(C)C ZINC000668558084 565653758 /nfs/dbraw/zinc/65/37/58/565653758.db2.gz VGLYPCIZTJYDGX-UHFFFAOYSA-N 1 0 375.344 2.511 20 0 GFADRO C[C@@H]1[NH2+]CCC[C@@H]1NS(=O)(=O)Cc1ccc(Br)cc1Cl ZINC000647287021 565654512 /nfs/dbraw/zinc/65/45/12/565654512.db2.gz DPCGLFMXBGUHTC-ZANVPECISA-N 1 0 381.723 2.662 20 0 GFADRO C[C@@H]([NH2+]C[C@H](O)COC1CCOCC1)c1cc(F)c(Br)cc1F ZINC000625750919 565656573 /nfs/dbraw/zinc/65/65/73/565656573.db2.gz DAZXAXGHIDERSF-MNOVXSKESA-N 1 0 394.256 2.934 20 0 GFADRO O=S(=O)(N[C@H]1C[NH2+]CCC1(F)F)c1cc(Cl)cc(C(F)(F)F)c1 ZINC000647319540 565656685 /nfs/dbraw/zinc/65/66/85/565656685.db2.gz CCROELHLVHFQQO-JTQLQIEISA-N 1 0 378.750 2.634 20 0 GFADRO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000647316551 565656711 /nfs/dbraw/zinc/65/67/11/565656711.db2.gz QZLKGRFPVPIYSO-GUTXKFCHSA-N 1 0 390.933 2.550 20 0 GFADRO C[C@H](CCC[NH3+])NS(=O)(=O)c1ccc(Br)cc1C(F)(F)F ZINC000647311952 565656762 /nfs/dbraw/zinc/65/67/62/565656762.db2.gz XXHFTRPCXMZIIW-MRVPVSSYSA-N 1 0 389.237 2.874 20 0 GFADRO O=S(=O)(c1ncccc1C(F)(F)F)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647309287 565656874 /nfs/dbraw/zinc/65/68/74/565656874.db2.gz IDSBZYZRKTYNJJ-QWHCGFSZSA-N 1 0 377.432 2.501 20 0 GFADRO C[C@H]([NH2+]C[C@@H](O)COC1CCOCC1)c1cc(F)c(Br)cc1F ZINC000625750921 565657096 /nfs/dbraw/zinc/65/70/96/565657096.db2.gz DAZXAXGHIDERSF-WDEREUQCSA-N 1 0 394.256 2.934 20 0 GFADRO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CC(C)(C)[C@@]1(O)CCOC1 ZINC000647339380 565658247 /nfs/dbraw/zinc/65/82/47/565658247.db2.gz QPZVOQLWVZXWPN-FZKQIMNGSA-N 1 0 399.329 2.933 20 0 GFADRO CC[C@@H]1CN(c2ncnc3ccc(I)cc32)C[C@H](C)[NH2+]1 ZINC000599180313 565659641 /nfs/dbraw/zinc/65/96/41/565659641.db2.gz MBGMTDCDUNBOLS-CMPLNLGQSA-N 1 0 382.249 2.811 20 0 GFADRO CCC(C)(C)NC(=O)C[NH2+][C@@]1(CO)CCc2cc(Br)ccc2C1 ZINC000625794310 565659729 /nfs/dbraw/zinc/65/97/29/565659729.db2.gz GKQSBAJPJIEWQQ-SFHVURJKSA-N 1 0 383.330 2.563 20 0 GFADRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)Nc1ccnn1Cc1ccc(Br)cc1 ZINC000647475436 565661343 /nfs/dbraw/zinc/66/13/43/565661343.db2.gz ONKOTYGOGNNBDB-VXGBXAGGSA-N 1 0 380.290 2.941 20 0 GFADRO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)Nc1ccc(Br)c2ccccc12 ZINC000647494613 565661636 /nfs/dbraw/zinc/66/16/36/565661636.db2.gz FHXDJLLIICVXNJ-QWRGUYRKSA-N 1 0 378.270 2.783 20 0 GFADRO C[C@@H](c1ccccc1Br)[NH+]1CCC(n2cc(C(N)=O)nn2)CC1 ZINC000625807932 565661792 /nfs/dbraw/zinc/66/17/92/565661792.db2.gz MYCBWFBAJDCYGB-NSHDSACASA-N 1 0 378.274 2.538 20 0 GFADRO Cc1ccccc1C[C@H](CO)[NH2+]C[C@H](O)COc1ccc(Br)cc1 ZINC000647525253 565662581 /nfs/dbraw/zinc/66/25/81/565662581.db2.gz ITEKILROLBQPRE-MSOLQXFVSA-N 1 0 394.309 2.690 20 0 GFADRO CCC(CC)[C@@H](O)C[NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000647523841 565662892 /nfs/dbraw/zinc/66/28/92/565662892.db2.gz MSWGDUGJIGOZPN-ZBFHGGJFSA-N 1 0 378.282 2.715 20 0 GFADRO O=C([C@@H]1CCO[C@H]1c1cncc(Br)c1)N1CC[NH+](C2CCC2)CC1 ZINC000668722987 565663183 /nfs/dbraw/zinc/66/31/83/565663183.db2.gz KTAXLDFLFPMXFQ-SJORKVTESA-N 1 0 394.313 2.618 20 0 GFADRO CCCN(C(=O)C(=O)N(C)Cc1c(Cl)cccc1Cl)[C@H]1CC[N@H+](C)C1 ZINC000647568324 565664094 /nfs/dbraw/zinc/66/40/94/565664094.db2.gz KPJKZHYWPJGNJF-ZDUSSCGKSA-N 1 0 386.323 2.895 20 0 GFADRO C[C@H]1CC[C@@H](NC(=O)Nc2ccnn2Cc2ccc(Br)cc2)C[NH2+]1 ZINC000625880654 565664565 /nfs/dbraw/zinc/66/45/65/565664565.db2.gz HFRWVWJRUBTEMR-SWLSCSKDSA-N 1 0 392.301 2.956 20 0 GFADRO C[NH2+]CCOCCNC(=O)Nc1ccnn1Cc1cccc(Cl)c1Cl ZINC000625880871 565664721 /nfs/dbraw/zinc/66/47/21/565664721.db2.gz SNMXIPXSGLIZBF-UHFFFAOYSA-N 1 0 386.283 2.596 20 0 GFADRO [NH3+]CCCOCCNC(=O)Nc1ccc(C(F)(F)F)c(Br)c1 ZINC000625882037 565664754 /nfs/dbraw/zinc/66/47/54/565664754.db2.gz SYBFLOGSTNIAEC-UHFFFAOYSA-N 1 0 384.196 2.955 20 0 GFADRO C[C@@H]1CC[C@H](NC(=O)Nc2ccnn2Cc2ccccc2Br)C[NH2+]1 ZINC000625880632 565664833 /nfs/dbraw/zinc/66/48/33/565664833.db2.gz GPFDAZLFUHZOSM-OCCSQVGLSA-N 1 0 392.301 2.956 20 0 GFADRO C[NH+](C)C1(CNC(=O)C(C)(C)Oc2ccc(Br)cc2)CCOCC1 ZINC000668757788 565665071 /nfs/dbraw/zinc/66/50/71/565665071.db2.gz AOAYCNRBMQSWJI-UHFFFAOYSA-N 1 0 399.329 2.834 20 0 GFADRO COc1cc(NC(=O)NCC2([NH3+])CCOCC2)c(Cl)cc1Br ZINC000625900680 565665488 /nfs/dbraw/zinc/66/54/88/565665488.db2.gz BSOMZTXMOZAAAZ-UHFFFAOYSA-N 1 0 392.681 2.741 20 0 GFADRO COc1cc(Br)c(CN2CCO[C@H](CCC[NH+](C)C)C2)cc1O ZINC000668785066 565666168 /nfs/dbraw/zinc/66/61/68/565666168.db2.gz MQYZXYJWAPMLKB-CQSZACIVSA-N 1 0 387.318 2.706 20 0 GFADRO Cc1cc(Br)ccc1[C@@H]1CCC[N@H+]1CCN1C(=O)CN(C)C1=O ZINC000626010202 565671115 /nfs/dbraw/zinc/67/11/15/565671115.db2.gz KNJSNCBXJDRPAQ-HNNXBMFYSA-N 1 0 380.286 2.788 20 0 GFADRO C[C@H](Sc1ccc(Br)cc1)C(=O)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000647707186 565671869 /nfs/dbraw/zinc/67/18/69/565671869.db2.gz XXZMOXAHNFIFKZ-CFVMTHIKSA-N 1 0 399.354 2.597 20 0 GFADRO CCO[C@H](CC[NH+](C)C)CNC(=O)c1ccc(Br)c(F)c1F ZINC000626040933 565672591 /nfs/dbraw/zinc/67/25/91/565672591.db2.gz OGFRLSAWHDHGOL-SNVBAGLBSA-N 1 0 379.245 2.814 20 0 GFADRO C[C@@H](NC(=O)CN(C1CC1)C1CC[NH2+]CC1)c1ccc(Br)cc1 ZINC000647814686 565678028 /nfs/dbraw/zinc/67/80/28/565678028.db2.gz ZPRJBXAJGLJGLF-CYBMUJFWSA-N 1 0 380.330 2.843 20 0 GFADRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1cc(Br)cc2c1OCCO2 ZINC000669118799 565678611 /nfs/dbraw/zinc/67/86/11/565678611.db2.gz OTSZKIXFGVFJCY-SMDDNHRTSA-N 1 0 383.286 2.633 20 0 GFADRO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]([C@@H](C)c2ccc(OC(F)(F)F)cc2)C1 ZINC000626168775 565680707 /nfs/dbraw/zinc/68/07/07/565680707.db2.gz ZHVRLEQRJXEWEJ-QWHCGFSZSA-N 1 0 380.432 2.907 20 0 GFADRO CCC[N@@H+]1CC[C@H](NC(=O)C(=O)NCCCc2ccc(Cl)cc2Cl)C1 ZINC000669281492 565683379 /nfs/dbraw/zinc/68/33/79/565683379.db2.gz ODVUVNHVMZNEEX-HNNXBMFYSA-N 1 0 386.323 2.643 20 0 GFADRO COc1cc(C(=O)N2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)ccc1Br ZINC000626227502 565684677 /nfs/dbraw/zinc/68/46/77/565684677.db2.gz VPHHRGZHVWIAOB-FRFSOERESA-N 1 0 397.313 2.781 20 0 GFADRO NC(=O)[C@H](c1ccc(Br)cc1)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647978659 565686098 /nfs/dbraw/zinc/68/60/98/565686098.db2.gz WIACTSNFXGXZLR-ZOBUZTSGSA-N 1 0 380.330 2.687 20 0 GFADRO O=C1C[C@]2(CC[N@@H+](Cc3cc(OC(F)F)ccc3Br)C2)CN1 ZINC000648029357 565688766 /nfs/dbraw/zinc/68/87/66/565688766.db2.gz CRARYGMJJCMUKN-OAHLLOKOSA-N 1 0 375.213 2.763 20 0 GFADRO COC(=O)c1ccc(C[NH2+][C@]2(CO)CCc3cc(Br)ccc3C2)o1 ZINC000599573243 565689585 /nfs/dbraw/zinc/68/95/85/565689585.db2.gz NRILAYJQOHZDSV-GOSISDBHSA-N 1 0 394.265 2.838 20 0 GFADRO CCOc1ccc(Br)cc1CN(C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21)C1CC1 ZINC000648068274 565689888 /nfs/dbraw/zinc/68/98/88/565689888.db2.gz OANRAPCMKCJNKX-QLPKVWCKSA-N 1 0 379.298 2.804 20 0 GFADRO C[C@@H](CNC(=O)C1([NH3+])Cc2ccccc2C1)Oc1cccc(Br)c1 ZINC000648092946 565690783 /nfs/dbraw/zinc/69/07/83/565690783.db2.gz ONRODBCUFPMXJB-ZDUSSCGKSA-N 1 0 389.293 2.829 20 0 GFADRO CC[C@@H]1CN(C(=O)NC[C@H](C)Oc2ccccc2Br)CC[C@@H]1[NH3+] ZINC000669518130 565691250 /nfs/dbraw/zinc/69/12/50/565691250.db2.gz KJAGYTWMQJUYRC-GUTXKFCHSA-N 1 0 384.318 2.985 20 0 GFADRO COC[C@@]1(CNC(=O)c2cc3c(cncc3Br)s2)CCC[NH2+]1 ZINC000648136390 565691232 /nfs/dbraw/zinc/69/12/32/565691232.db2.gz BXKNZXKPKWBWLK-HNNXBMFYSA-N 1 0 384.299 2.557 20 0 GFADRO CC[C@@H]1CN(C(=O)NC[C@@H](C)Oc2ccccc2Br)CC[C@H]1[NH3+] ZINC000669518133 565691487 /nfs/dbraw/zinc/69/14/87/565691487.db2.gz KJAGYTWMQJUYRC-UMVBOHGHSA-N 1 0 384.318 2.985 20 0 GFADRO C[C@@H](CNC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)Oc1ccc(Br)cc1 ZINC000669506292 565691528 /nfs/dbraw/zinc/69/15/28/565691528.db2.gz KAYCJBNVRXJQQJ-AEGPPILISA-N 1 0 382.302 2.752 20 0 GFADRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)Nc1cc(Cl)ccc1I ZINC000599605018 565692581 /nfs/dbraw/zinc/69/25/81/565692581.db2.gz HPARMEMQZFPVEW-OIBJUYFYSA-N 1 0 379.629 2.817 20 0 GFADRO COc1cc(Br)ccc1CNC(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000669565652 565693250 /nfs/dbraw/zinc/69/32/50/565693250.db2.gz OUTVGMAOZNHRIE-HIFRSBDPSA-N 1 0 396.329 2.989 20 0 GFADRO C[C@@H]([NH3+])CNC(=O)N[C@H](Cc1ccccn1)c1ccc(Br)cc1 ZINC000669568706 565693572 /nfs/dbraw/zinc/69/35/72/565693572.db2.gz JNBRUJGXGNRXLC-MLGOLLRUSA-N 1 0 377.286 2.774 20 0 GFADRO Cc1cc(Br)c(F)c(C(=O)N[C@H](C)CC[NH+]2CCN(C)CC2)c1 ZINC000626495099 565695516 /nfs/dbraw/zinc/69/55/16/565695516.db2.gz KAKKLRCOXIQGJZ-CYBMUJFWSA-N 1 0 386.309 2.652 20 0 GFADRO C[C@H]1C[NH+](CCCNC(=O)c2cc(Br)cc3[nH]cnc32)C[C@H](C)O1 ZINC000669694527 565699470 /nfs/dbraw/zinc/69/94/70/565699470.db2.gz SVKJVUINNKAGHW-RYUDHWBXSA-N 1 0 395.301 2.555 20 0 GFADRO CCN(C(=O)Cc1ccc(I)cc1)C1CC[NH+](C)CC1 ZINC000599986496 565708704 /nfs/dbraw/zinc/70/87/04/565708704.db2.gz VOJGKXFFJUONDJ-UHFFFAOYSA-N 1 0 386.277 2.776 20 0 GFADRO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)N1CCOc2ccc(Br)cc2C1 ZINC000670015493 565711143 /nfs/dbraw/zinc/71/11/43/565711143.db2.gz ONANYOUPSMBTJB-MRXNPFEDSA-N 1 0 394.313 2.837 20 0 GFADRO O=C(Nc1ccc(Cl)cc1C(F)(F)F)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000626849960 565713160 /nfs/dbraw/zinc/71/31/60/565713160.db2.gz LDZWNJHTESJSQD-LBPRGKRZSA-N 1 0 375.778 2.698 20 0 GFADRO CCOc1c(Cl)cc(NC(=O)C(=O)N2CC[NH2+]C[C@@H]2C(C)C)cc1Cl ZINC000626846902 565713542 /nfs/dbraw/zinc/71/35/42/565713542.db2.gz PDMFTTZUARONGH-CQSZACIVSA-N 1 0 388.295 2.787 20 0 GFADRO C[C@@H](COc1ccc(Cl)c(Cl)c1)[NH2+]CCCN1CCCS1(=O)=O ZINC000648448761 565714373 /nfs/dbraw/zinc/71/43/73/565714373.db2.gz DCJHVOQMOUXXIW-LBPRGKRZSA-N 1 0 381.325 2.776 20 0 GFADRO COC(=O)CCN(Cc1ncc(Br)cc1F)C[C@@H]1CCCO1 ZINC000600114821 565714813 /nfs/dbraw/zinc/71/48/13/565714813.db2.gz BJFZLENALRWIPK-LBPRGKRZSA-N 1 0 375.238 2.527 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[N@@H+]1CCC[C@H](OC)CC1 ZINC000648512636 565717499 /nfs/dbraw/zinc/71/74/99/565717499.db2.gz XBKJAPILOOOZNF-BBRMVZONSA-N 1 0 399.329 2.963 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)N[C@H]2COc3c2cccc3Cl)CC[C@@H]1C(F)(F)F ZINC000626999432 565719089 /nfs/dbraw/zinc/71/90/89/565719089.db2.gz ZYSGPWGYUKQEBC-CDMKHQONSA-N 1 0 377.794 2.942 20 0 GFADRO CCN(CC[NH3+])C(=O)N[C@H](C)c1nc(-c2ccc(Br)cc2)no1 ZINC000627000275 565719158 /nfs/dbraw/zinc/71/91/58/565719158.db2.gz LZBDOADZPIHBSN-SNVBAGLBSA-N 1 0 382.262 2.550 20 0 GFADRO CC[C@@H](Cc1ccc(Br)cc1)NC(=O)NC1(C[NH3+])CCOCC1 ZINC000627117382 565721744 /nfs/dbraw/zinc/72/17/44/565721744.db2.gz HHIMSWKLELMSEP-HNNXBMFYSA-N 1 0 384.318 2.577 20 0 GFADRO C[C@H](NC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1)c1cc(F)c(Br)cc1F ZINC000627125670 565722553 /nfs/dbraw/zinc/72/25/53/565722553.db2.gz MDNLNJMKNXJYMT-JVQVWZCXSA-N 1 0 380.208 2.869 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CN(C(=O)NCC/C=C\c2ccc(Br)cc2)CCO1 ZINC000627123229 565722573 /nfs/dbraw/zinc/72/25/73/565722573.db2.gz PNBZPFZELUGAHC-VFURCJNMSA-N 1 0 382.302 2.610 20 0 GFADRO Cc1nc(NC(=O)c2ccnc(OCC[NH+](C)C)c2)ccc1Br ZINC000670436855 565722778 /nfs/dbraw/zinc/72/27/78/565722778.db2.gz GWALJKJIOKHHCM-UHFFFAOYSA-N 1 0 379.258 2.740 20 0 GFADRO CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)NCCc2ccc(Cl)cc2Cl)C1 ZINC000670495592 565724770 /nfs/dbraw/zinc/72/47/70/565724770.db2.gz NRNWKWYQPPPTIF-HNNXBMFYSA-N 1 0 386.323 2.641 20 0 GFADRO COCCN(Cc1cc(Br)cs1)C(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000627201573 565725952 /nfs/dbraw/zinc/72/59/52/565725952.db2.gz BPQCIYBTLCFZQM-DGCLKSJQSA-N 1 0 390.347 2.809 20 0 GFADRO C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)N[C@@H]2CC[NH2+][C@H]2C)CC1 ZINC000627240699 565726760 /nfs/dbraw/zinc/72/67/60/565726760.db2.gz WBEJKCQNIDJYNE-GRDNDAEWSA-N 1 0 395.345 2.588 20 0 GFADRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCC[C@H]1C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000627237205 565727125 /nfs/dbraw/zinc/72/71/25/565727125.db2.gz HQUOJPFLZAELHD-VQISRLSMSA-N 1 0 385.295 2.856 20 0 GFADRO O=C(CCCOc1cccc(Cl)c1Cl)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000627257275 565728234 /nfs/dbraw/zinc/72/82/34/565728234.db2.gz DZUNVJJIEHNHMP-ZIAGYGMSSA-N 1 0 387.307 2.820 20 0 GFADRO O=C(N[C@@H]1CC[NH2+]C1)N(Cc1cccc(Br)c1)C1CCOCC1 ZINC000627250383 565728698 /nfs/dbraw/zinc/72/86/98/565728698.db2.gz KDEAECLEVUIWPJ-OAHLLOKOSA-N 1 0 382.302 2.502 20 0 GFADRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1c2ccc(Br)cc2nn1C ZINC000648822187 565732182 /nfs/dbraw/zinc/73/21/82/565732182.db2.gz NGQUYCKQWMBAOT-BMIGLBTASA-N 1 0 377.286 2.548 20 0 GFADRO COc1cccc(CNc2cc(N3CCOCC3)c(Br)c[nH+]2)c1F ZINC000648860834 565735160 /nfs/dbraw/zinc/73/51/60/565735160.db2.gz IGODSQZURVHDRP-UHFFFAOYSA-N 1 0 396.260 3.441 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)C(=O)NCc1ccc(Cl)o1)c1ccc(Cl)cc1 ZINC000670660118 565736164 /nfs/dbraw/zinc/73/61/64/565736164.db2.gz KNYLFWZFBRCPCQ-AWEZNQCLSA-N 1 0 384.263 2.622 20 0 GFADRO CC(C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000627482438 565737261 /nfs/dbraw/zinc/73/72/61/565737261.db2.gz QJCVWZYQPWZXNN-OCCSQVGLSA-N 1 0 386.323 2.987 20 0 GFADRO C[C@H](NC(=O)[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)c1ncc(Br)cn1 ZINC000627518208 565739546 /nfs/dbraw/zinc/73/95/46/565739546.db2.gz ZGZHHEYKKKOEHV-VBNZEHGJSA-N 1 0 389.297 2.762 20 0 GFADRO CN(C(=O)c1ccsc1Br)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000648934479 565740707 /nfs/dbraw/zinc/74/07/07/565740707.db2.gz FVDXCQVMFVTDPX-ZDUSSCGKSA-N 1 0 386.359 2.751 20 0 GFADRO COc1ccc(C(=O)N2CCC([N@@H+]3CCCOCC3)CC2)cc1Br ZINC000627737951 565749166 /nfs/dbraw/zinc/74/91/66/565749166.db2.gz CEQFHZJXFLBDMD-UHFFFAOYSA-N 1 0 397.313 2.785 20 0 GFADRO C[C@@H](Cc1ccc(Br)cc1)C(=O)N1CCOC2(CC[NH+](C)CC2)C1 ZINC000649131650 565749200 /nfs/dbraw/zinc/74/92/00/565749200.db2.gz WAWWMMZOKTTZIK-HNNXBMFYSA-N 1 0 395.341 2.951 20 0 GFADRO Cc1ccc(CC(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)c(Br)c1 ZINC000649140627 565750838 /nfs/dbraw/zinc/75/08/38/565750838.db2.gz DFTOTFPJPVYDPV-INIZCTEOSA-N 1 0 381.314 2.670 20 0 GFADRO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000671103703 565751663 /nfs/dbraw/zinc/75/16/63/565751663.db2.gz CJIYHDWAKPOGGH-KBPBESRZSA-N 1 0 384.307 2.695 20 0 GFADRO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000671100740 565751804 /nfs/dbraw/zinc/75/18/04/565751804.db2.gz QCLMFQODUUVTGU-CVEARBPZSA-N 1 0 384.307 2.695 20 0 GFADRO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000671103704 565751915 /nfs/dbraw/zinc/75/19/15/565751915.db2.gz CJIYHDWAKPOGGH-KGLIPLIRSA-N 1 0 384.307 2.695 20 0 GFADRO C[NH2+]C1(CNC(=O)C2(c3ccc(I)cc3)CC2)CCC1 ZINC000600826585 565752067 /nfs/dbraw/zinc/75/20/67/565752067.db2.gz OUIXXOYYFOMAAY-UHFFFAOYSA-N 1 0 384.261 2.581 20 0 GFADRO CC(C)n1ncc2c1C[C@@H]([NH2+][C@@H](C)Cn1cc(Br)ccc1=O)CC2 ZINC000671121505 565753137 /nfs/dbraw/zinc/75/31/37/565753137.db2.gz ZSBAAXPNADVYSU-BBRMVZONSA-N 1 0 393.329 2.924 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)C(=O)NC[C@@H]1CCCC[N@@H+](C)C1 ZINC000627828852 565754880 /nfs/dbraw/zinc/75/48/80/565754880.db2.gz NCVJNZOKPDZXBS-ZDUSSCGKSA-N 1 0 382.302 2.544 20 0 GFADRO Cc1nc(CSc2ccccc2C(=O)N2CCO[C@@H]([C@H](C)[NH3+])C2)cs1 ZINC000649274644 565757065 /nfs/dbraw/zinc/75/70/65/565757065.db2.gz SQOXHUWJDYOHGR-BLLLJJGKSA-N 1 0 377.535 2.932 20 0 GFADRO Cc1nc(CSc2ccccc2C(=O)N2CCO[C@@H]([C@@H](C)[NH3+])C2)cs1 ZINC000649274647 565757220 /nfs/dbraw/zinc/75/72/20/565757220.db2.gz SQOXHUWJDYOHGR-MLGOLLRUSA-N 1 0 377.535 2.932 20 0 GFADRO O=C(Cc1csc(COc2ccc(Cl)cc2)n1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000649366555 565759396 /nfs/dbraw/zinc/75/93/96/565759396.db2.gz JLZCVWRVFVGOHT-WBMJQRKESA-N 1 0 377.897 2.738 20 0 GFADRO CN(CC(=O)N1CC[NH2+]C[C@H]1c1cccc(Cl)c1)c1ccc(Cl)cn1 ZINC000649360437 565759830 /nfs/dbraw/zinc/75/98/30/565759830.db2.gz WBSPCMDMUXQKKD-INIZCTEOSA-N 1 0 379.291 2.998 20 0 GFADRO CS(=O)(=O)N1CC(C[NH2+][C@H]2CCC[C@@H]2c2cccc(C(F)(F)F)c2)C1 ZINC000671300153 565760983 /nfs/dbraw/zinc/76/09/83/565760983.db2.gz XAGMHAWFSFOTEY-CVEARBPZSA-N 1 0 376.444 2.823 20 0 GFADRO C[N@@H+](Cc1cccc(Br)c1OC[C@H]1CCCO1)C[C@@H]1CCC(=O)N1 ZINC000649592087 565768220 /nfs/dbraw/zinc/76/82/20/565768220.db2.gz UEGGTONGXIHZGF-LSDHHAIUSA-N 1 0 397.313 2.717 20 0 GFADRO CS(=O)(=O)N1CC[C@H](C[NH2+]C2(c3ccccc3Br)CCC2)C1 ZINC000649646945 565771398 /nfs/dbraw/zinc/77/13/98/565771398.db2.gz XGJGOEFMZPKHKA-CYBMUJFWSA-N 1 0 387.343 2.699 20 0 GFADRO O=C(CSc1cccc(Br)c1)N1CCC([NH+]2CCOCC2)CC1 ZINC000628123811 565775249 /nfs/dbraw/zinc/77/52/49/565775249.db2.gz GIGODZMIWXYWFJ-UHFFFAOYSA-N 1 0 399.354 2.864 20 0 GFADRO CC[N@H+](CC(=O)N(C)Cc1cc(Br)cs1)[C@@H]1CCCOC1 ZINC000649757309 565777349 /nfs/dbraw/zinc/77/73/49/565777349.db2.gz KTVFUHOKIGUPCR-CYBMUJFWSA-N 1 0 375.332 2.970 20 0 GFADRO COCC[N@@H+]1CCN(CCC(=O)Nc2ccccc2Br)C(C)(C)C1 ZINC000649850204 565782730 /nfs/dbraw/zinc/78/27/30/565782730.db2.gz CNYUWKHJEVSNTJ-UHFFFAOYSA-N 1 0 398.345 2.820 20 0 GFADRO CC(=O)c1cc(Br)ccc1OCC(=O)N[C@H](C)C1CC[NH+](C)CC1 ZINC000671723175 565783773 /nfs/dbraw/zinc/78/37/73/565783773.db2.gz BUOJNENWZQZVOM-GFCCVEGCSA-N 1 0 397.313 2.877 20 0 GFADRO C[C@@H]1C[C@@H](N2CCOCC2)C[N@@H+]1C[C@@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000671719620 565784336 /nfs/dbraw/zinc/78/43/36/565784336.db2.gz LGTOUOYTSPUVQI-RBSFLKMASA-N 1 0 389.323 2.528 20 0 GFADRO C[C@H]([NH2+]CCN(C)S(=O)(=O)c1cccs1)c1ccc2[nH]c(=O)oc2c1 ZINC000671753705 565785450 /nfs/dbraw/zinc/78/54/50/565785450.db2.gz BHLNLTTWLMYIET-NSHDSACASA-N 1 0 381.479 2.566 20 0 GFADRO CN1C[C@H]([N@H+](C)Cc2cc(Br)c3c(c2)OCCCO3)CCC1=O ZINC000628368428 565786434 /nfs/dbraw/zinc/78/64/34/565786434.db2.gz GGDCKKOQDKYZHD-CYBMUJFWSA-N 1 0 383.286 2.663 20 0 GFADRO C[N@H+](Cc1ccc(OC(F)(F)F)c(Br)c1)[C@@]1(CO)CCOC1 ZINC000628367737 565786680 /nfs/dbraw/zinc/78/66/80/565786680.db2.gz QBERKPXDLSQXKY-CYBMUJFWSA-N 1 0 384.192 2.931 20 0 GFADRO CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)NCCc2cc(Cl)cc(Cl)c2)C1 ZINC000671813834 565786756 /nfs/dbraw/zinc/78/67/56/565786756.db2.gz UQAJEXNBZRCJCD-MRXNPFEDSA-N 1 0 386.323 2.641 20 0 GFADRO Cc1nn(-c2cccc(Br)c2)cc1C[N@@H+](C)[C@H]1CCC(=O)N(C)C1 ZINC000628369123 565787366 /nfs/dbraw/zinc/78/73/66/565787366.db2.gz STHGVVXIEIFYSL-KRWDZBQOSA-N 1 0 391.313 2.996 20 0 GFADRO C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+][C@@H]1CCS(=O)(=O)[C@@H]1C ZINC000628453233 565789299 /nfs/dbraw/zinc/78/92/99/565789299.db2.gz OSEVHEQCNZWTIZ-NQBHXWOUSA-N 1 0 378.416 2.588 20 0 GFADRO C[C@H]1C[C@@H]([NH3+])CN1C(=O)Nc1cc(F)c(I)c(F)c1 ZINC000601558977 565792103 /nfs/dbraw/zinc/79/21/03/565792103.db2.gz LPYUMUVQJLZPEJ-NKWVEPMBSA-N 1 0 381.164 2.523 20 0 GFADRO Cc1c(I)cccc1C(=O)N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000601559517 565792465 /nfs/dbraw/zinc/79/24/65/565792465.db2.gz UDUDLXSSAYRULO-IUODEOHRSA-N 1 0 384.261 2.814 20 0 GFADRO C[N@@H+]1CCCC[C@H](CNC(=O)C[C@@H]2Sc3ccc(Cl)cc3NC2=O)C1 ZINC000628741947 565804594 /nfs/dbraw/zinc/80/45/94/565804594.db2.gz QDVFMHJFMTUNIQ-WBMJQRKESA-N 1 0 381.929 2.991 20 0 GFADRO C[NH+](C)CCN1CCN(C(=O)c2sc3cc(F)ccc3c2Cl)CC1=O ZINC000650300411 565812866 /nfs/dbraw/zinc/81/28/66/565812866.db2.gz BTCAFDFGTFYMOU-UHFFFAOYSA-N 1 0 383.876 2.540 20 0 GFADRO CC1(C)CCC[N@@H+]1CCNS(=O)(=O)Cc1ccc(OC(F)(F)F)cc1 ZINC000650342120 565815055 /nfs/dbraw/zinc/81/50/55/565815055.db2.gz NBMQKQDAXHJISE-UHFFFAOYSA-N 1 0 380.432 2.879 20 0 GFADRO CC1=CC[N@H+](CCNC(=O)c2cnc3ncc(Br)cc3c2)CC1 ZINC000672962551 565823981 /nfs/dbraw/zinc/82/39/81/565823981.db2.gz IYVVSZJZAKFVCB-UHFFFAOYSA-N 1 0 375.270 2.774 20 0 GFADRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)c2ccc3[nH]cc(I)c3c2)C1 ZINC000602176003 565827732 /nfs/dbraw/zinc/82/77/32/565827732.db2.gz XDULMMYFWZQXPF-KLPPZKSPSA-N 1 0 397.260 2.843 20 0 GFADRO CNc1cc(I)ccc1C(=O)N[C@H]1C[C@@H]([NH+]2CCCC2)C1 ZINC000602167210 565827888 /nfs/dbraw/zinc/82/78/88/565827888.db2.gz JYTLURBYMVKEOQ-BETUJISGSA-N 1 0 399.276 2.690 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)c1cnn(-c2cccc(Br)c2)c1 ZINC000673425204 565835059 /nfs/dbraw/zinc/83/50/59/565835059.db2.gz MEQIFJGQHIJTLE-HZPDHXFCSA-N 1 0 377.286 2.847 20 0 GFADRO C[S@@](=O)C1(C(=O)Nc2nc(-c3ccccc3Cl)cs2)CC[NH2+]CC1 ZINC000602437258 565847416 /nfs/dbraw/zinc/84/74/16/565847416.db2.gz SIIFUDYPCDESJH-XMMPIXPASA-N 1 0 383.926 2.903 20 0 GFADRO C[C@@H](CNC(=O)C1([S@](C)=O)CC[NH2+]CC1)c1c(Cl)cccc1Cl ZINC000602454509 565849048 /nfs/dbraw/zinc/84/90/48/565849048.db2.gz MWGLUYJKDOHMSJ-RULNZOCKSA-N 1 0 377.337 2.714 20 0 GFADRO C[S@@](=O)C1(C(=O)N[C@H]2CCc3c2ccc(Cl)c3Cl)CC[NH2+]CC1 ZINC000602461095 565849970 /nfs/dbraw/zinc/84/99/70/565849970.db2.gz ALIDFWLAJHXXHS-ZAMGYDSWSA-N 1 0 375.321 2.598 20 0 GFADRO CCC1([NH+]2CCOCC2)CCN(C(=O)c2ncccc2Br)CC1 ZINC000629417205 565851147 /nfs/dbraw/zinc/85/11/47/565851147.db2.gz ZKLITWGJLUHKKQ-UHFFFAOYSA-N 1 0 382.302 2.561 20 0 GFADRO C[S@@](=O)C1(C(=O)N(Cc2ccc(F)cc2Cl)CC2CC2)CC[NH2+]CC1 ZINC000602526408 565852664 /nfs/dbraw/zinc/85/26/64/565852664.db2.gz WMOIIFGIYVBADY-RUZDIDTESA-N 1 0 386.920 2.718 20 0 GFADRO COCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(Br)c(OC(C)C)c2)C1 ZINC000651290460 565854582 /nfs/dbraw/zinc/85/45/82/565854582.db2.gz VDBBLNKXNJZSPZ-CQSZACIVSA-N 1 0 385.302 2.687 20 0 GFADRO C[C@@H](C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1)[NH+]1C2CCC1CC2 ZINC000674006101 565855896 /nfs/dbraw/zinc/85/58/96/565855896.db2.gz LQUFGOONILVWAZ-XGNXJENSSA-N 1 0 385.917 2.544 20 0 GFADRO C[C@H]1CN(c2ncnc3cc(Br)sc32)CC[N@@H+]1CC(C)(C)O ZINC000651344684 565858625 /nfs/dbraw/zinc/85/86/25/565858625.db2.gz PEVDCJBQZQMHRF-JTQLQIEISA-N 1 0 385.331 2.735 20 0 GFADRO C[C@H](NC(=O)CN1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1)c1ccc(Cl)cc1 ZINC000629568448 565858915 /nfs/dbraw/zinc/85/89/15/565858915.db2.gz SNRDAUFXIVHUQY-CORIIIEPSA-N 1 0 377.838 2.976 20 0 GFADRO COc1ncc(Br)cc1CN1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629564698 565859282 /nfs/dbraw/zinc/85/92/82/565859282.db2.gz UCNJUUPMQWMSRW-JQWIXIFHSA-N 1 0 382.224 2.812 20 0 GFADRO C[C@H](NC(=O)CN1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)c1ccc(Br)cc1 ZINC000629585075 565860461 /nfs/dbraw/zinc/86/04/61/565860461.db2.gz ZWTFCDPMLZPGGW-DOPJRALCSA-N 1 0 380.330 2.558 20 0 GFADRO Cc1cc(OC[C@@H](O)C[NH2+][C@@H]2CCS(=O)(=O)[C@@H]2C)c(C(C)C)cc1Cl ZINC000629600716 565862850 /nfs/dbraw/zinc/86/28/50/565862850.db2.gz BSNAFBXDRJAOOM-JKIFEVAISA-N 1 0 389.945 2.677 20 0 GFADRO CC(C)OCC[NH+]1CCC(NC(=O)c2nscc2Br)CC1 ZINC000651432130 565863735 /nfs/dbraw/zinc/86/37/35/565863735.db2.gz UULGHEKWLSGQKB-UHFFFAOYSA-N 1 0 376.320 2.525 20 0 GFADRO COC1CC[NH+](CCNC(=O)[C@H]2C[C@H]2c2cccc(Br)c2)CC1 ZINC000674310167 565867536 /nfs/dbraw/zinc/86/75/36/565867536.db2.gz VEJMYLDKXDWVPV-IRXDYDNUSA-N 1 0 381.314 2.780 20 0 GFADRO COC1CC[NH+](CCNC(=O)N[C@@H](C)Cc2cccc(Br)c2)CC1 ZINC000674327714 565868874 /nfs/dbraw/zinc/86/88/74/565868874.db2.gz MXUWTOYETXEMBS-AWEZNQCLSA-N 1 0 398.345 2.790 20 0 GFADRO COC(=O)CC[N@H+](CCc1cnccn1)Cc1cccc(Br)c1 ZINC000602827711 565869449 /nfs/dbraw/zinc/86/94/49/565869449.db2.gz MZZFWHYUZUKGDA-UHFFFAOYSA-N 1 0 378.270 2.847 20 0 GFADRO CC[C@H](C[NH+]1CCCC1)NS(=O)(=O)c1ccc(C)c(Br)c1 ZINC000674346399 565869905 /nfs/dbraw/zinc/86/99/05/565869905.db2.gz OSBQFEJRFXXYSC-CYBMUJFWSA-N 1 0 375.332 2.910 20 0 GFADRO CC[C@H](C[NH+]1CCCC1)NS(=O)(=O)c1cc(Br)ccc1OC ZINC000674346239 565870400 /nfs/dbraw/zinc/87/04/00/565870400.db2.gz KPMAWCSONFGWBX-CYBMUJFWSA-N 1 0 391.331 2.610 20 0 GFADRO C[C@H](CC[NH+](C)C)NC(=O)C(=O)Nc1cc(Br)c(F)cc1Cl ZINC000674405130 565872557 /nfs/dbraw/zinc/87/25/57/565872557.db2.gz ALBCZVBVWCROEJ-MRVPVSSYSA-N 1 0 394.672 2.637 20 0 GFADRO CN(CCN1CCCC1=O)Cc1nnc(-c2ccccc2Br)o1 ZINC000602892889 565874219 /nfs/dbraw/zinc/87/42/19/565874219.db2.gz MWVGOCGQEIVAFX-UHFFFAOYSA-N 1 0 379.258 2.553 20 0 GFADRO Cc1cc(Br)sc1S(=O)(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000651576808 565874959 /nfs/dbraw/zinc/87/49/59/565874959.db2.gz SPFMTVHNVHZLSN-GHMZBOCLSA-N 1 0 381.361 2.780 20 0 GFADRO O=C(NCC[N@H+]1CC[C@H](O)C1)[C@H]1CCCO[C@@H]1c1ccc(Cl)cc1Cl ZINC000629915415 565875791 /nfs/dbraw/zinc/87/57/91/565875791.db2.gz IEKNYXIGBHRCIX-JLJPHGGASA-N 1 0 387.307 2.644 20 0 GFADRO O[C@@H](C[N@@H+]1CC[C@H](c2cccc(Br)c2)C1)CC1(O)CCOCC1 ZINC000630048072 565880488 /nfs/dbraw/zinc/88/04/88/565880488.db2.gz YNDQIBMXGLPGEZ-DOTOQJQBSA-N 1 0 384.314 2.531 20 0 GFADRO O[C@H](COC1CCOCC1)C[NH+]1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000674845647 565885247 /nfs/dbraw/zinc/88/52/47/565885247.db2.gz YYPKWPQIIKKBQT-SRVKXCTJSA-N 1 0 379.341 2.606 20 0 GFADRO CC[NH+]1CCN(CC(=O)N2CCC[C@@H]2c2ccccc2Br)CC1 ZINC000674837725 565885506 /nfs/dbraw/zinc/88/55/06/565885506.db2.gz JDWTXVFSNOLGLM-QGZVFWFLSA-N 1 0 380.330 2.750 20 0 GFADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)N1CCC(n2cc(Br)cn2)CC1 ZINC000675195841 565894325 /nfs/dbraw/zinc/89/43/25/565894325.db2.gz AZAXEEAALNAOAA-HNNXBMFYSA-N 1 0 398.349 2.867 20 0 GFADRO Brc1cnn(CCCC[NH2+]Cc2cnnn2-c2ccccc2)c1 ZINC000651790003 565894436 /nfs/dbraw/zinc/89/44/36/565894436.db2.gz HQEJDMZPGQVQAP-UHFFFAOYSA-N 1 0 375.274 2.796 20 0 GFADRO CO[C@H]1CN(CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)[C@@](C)(C[NH3+])C1 ZINC000630356773 565897034 /nfs/dbraw/zinc/89/70/34/565897034.db2.gz UZBQHXSOPNEDAD-IAQYHMDHSA-N 1 0 379.810 2.735 20 0 GFADRO CSC1(CNS(=O)(=O)CC[C@@H]2CCc3ccccc32)CC[NH+](C)CC1 ZINC000603345921 565899316 /nfs/dbraw/zinc/89/93/16/565899316.db2.gz XOPDTOYOINTHPJ-KRWDZBQOSA-N 1 0 382.595 2.853 20 0 GFADRO NC(=O)[C@H]1C[C@@H]([NH2+]Cc2cc(Br)ccc2OCc2ccccn2)C1 ZINC000651940995 565906230 /nfs/dbraw/zinc/90/62/30/565906230.db2.gz IFEAZBIDECOFIB-DRQUAOQDSA-N 1 0 390.281 2.777 20 0 GFADRO CCOCCOc1ccc(Br)cc1C[NH2+]C[C@@H]1CC(=O)N(CC)C1 ZINC000652001146 565909394 /nfs/dbraw/zinc/90/93/94/565909394.db2.gz NMTRXGLMMDWVPQ-AWEZNQCLSA-N 1 0 399.329 2.822 20 0 GFADRO Cc1nc(-c2ccc(CNC(=O)c3cnn(CC[NH+](C)C)c3)s2)cs1 ZINC000630570147 565910250 /nfs/dbraw/zinc/91/02/50/565910250.db2.gz XURRMUPHPSCWOV-UHFFFAOYSA-N 1 0 375.523 2.868 20 0 GFADRO CCSc1ccc(CN2C(=O)N[C@@]3(CCC[NH2+]C3)C2=O)c(Br)c1 ZINC000630583907 565910491 /nfs/dbraw/zinc/91/04/91/565910491.db2.gz KBTXQHSISUISLR-MRXNPFEDSA-N 1 0 398.326 2.735 20 0 GFADRO Cn1c(=O)ccc2c1CCC[C@@H]2[NH2+]Cc1cn2ccc(Br)cc2n1 ZINC000652050073 565912611 /nfs/dbraw/zinc/91/26/11/565912611.db2.gz VBEITSATHLTELF-HNNXBMFYSA-N 1 0 387.281 2.963 20 0 GFADRO O[C@]1(CC[NH2+]Cc2nc(-c3ccc(Br)cc3)c[nH]2)CCCOC1 ZINC000652040015 565913175 /nfs/dbraw/zinc/91/31/75/565913175.db2.gz VBINWCYCNZZACW-KRWDZBQOSA-N 1 0 380.286 2.860 20 0 GFADRO O[C@]1(CC[NH2+]C2CCN(Cc3ccccc3Br)CC2)CCCOC1 ZINC000652040679 565913204 /nfs/dbraw/zinc/91/32/04/565913204.db2.gz JXYUQUOTPIEGAK-IBGZPJMESA-N 1 0 397.357 2.935 20 0 GFADRO CS(=O)(=O)Nc1cccc(C[NH2+][C@@H](CO)c2cccc(Br)c2)c1 ZINC000675765582 565915151 /nfs/dbraw/zinc/91/51/51/565915151.db2.gz LXYVOZZNCZFNHI-INIZCTEOSA-N 1 0 399.310 2.644 20 0 GFADRO O=C(CCCc1ccccc1Br)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000675785913 565916042 /nfs/dbraw/zinc/91/60/42/565916042.db2.gz KBPLXOADHLIVIC-ROUUACIJSA-N 1 0 395.341 2.829 20 0 GFADRO CCO[C@@H]1CN(C(=O)N[C@H](CC)c2nc(C(F)(F)F)cs2)C[C@H]1C[NH3+] ZINC000652162032 565918884 /nfs/dbraw/zinc/91/88/84/565918884.db2.gz CUPUTWYQNRBJBW-GMTAPVOTSA-N 1 0 380.436 2.618 20 0 GFADRO [NH3+]CC1(CCNC(=O)N2CCO[C@H](c3ccc(Br)cc3)C2)CC1 ZINC000652242719 565919921 /nfs/dbraw/zinc/91/99/21/565919921.db2.gz IJONQXUNWBOIPA-HNNXBMFYSA-N 1 0 382.302 2.661 20 0 GFADRO CC[N@@H+](CC(=O)N(C)Cc1cc(Br)cs1)C[C@H]1CCOC1 ZINC000604052228 565923646 /nfs/dbraw/zinc/92/36/46/565923646.db2.gz HPQAAFZBIXYBSQ-GFCCVEGCSA-N 1 0 375.332 2.827 20 0 GFADRO CN1CCC([N@@H+]2CC[C@H](NC(=O)NCc3cccc(Cl)c3Cl)C2)CC1 ZINC000604184961 565924866 /nfs/dbraw/zinc/92/48/66/565924866.db2.gz MEJWJHCDAYQKQO-AWEZNQCLSA-N 1 0 385.339 2.961 20 0 GFADRO COc1cc(Br)c(CNC(=O)N[C@H]2CC[N@@H+](C3CC3)C2)cc1OC ZINC000604188800 565925524 /nfs/dbraw/zinc/92/55/24/565925524.db2.gz LDBLBEVTAWALAX-LBPRGKRZSA-N 1 0 398.301 2.502 20 0 GFADRO Cc1cc(Br)sc1S(=O)(=O)N1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000652376797 565925863 /nfs/dbraw/zinc/92/58/63/565925863.db2.gz GZIYCQREEHGCBE-ONGXEEELSA-N 1 0 381.361 2.957 20 0 GFADRO O=C(N[C@H]1CC[N@@H+](C2CC2)C1)N1CCO[C@H](c2cccc(Br)c2)C1 ZINC000604205696 565926263 /nfs/dbraw/zinc/92/62/63/565926263.db2.gz PTPCWPNOSYUGNH-RDJZCZTQSA-N 1 0 394.313 2.769 20 0 GFADRO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCCN2S(=O)(=O)Cc2ccc(F)c(Cl)c2)C1 ZINC000652383849 565927436 /nfs/dbraw/zinc/92/74/36/565927436.db2.gz INHSRBPWGCKMIH-XOKHGSTOSA-N 1 0 390.908 2.670 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2S(=O)(=O)C[C@H]2CCCCC2(F)F)C1 ZINC000652383511 565927552 /nfs/dbraw/zinc/92/75/52/565927552.db2.gz XWTJIQJEJQOKTD-WCVJEAGWSA-N 1 0 380.501 2.503 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2S(=O)(=O)c2ccc(F)c(Cl)c2)C1 ZINC000652384834 565927596 /nfs/dbraw/zinc/92/75/96/565927596.db2.gz PMFMARPFYLQMAL-RLCCDNCMSA-N 1 0 376.881 2.529 20 0 GFADRO C[NH2+]Cc1ccccc1CNS(=O)(=O)c1cc2c(c(Cl)c1)O[C@H](C)C2 ZINC000652381888 565927632 /nfs/dbraw/zinc/92/76/32/565927632.db2.gz YJWZKLMVGJYSOE-GFCCVEGCSA-N 1 0 380.897 2.861 20 0 GFADRO CN(CC[NH+]1CCCCC1)C(=O)C(=O)N(C)Cc1cc(Cl)cc(Cl)c1 ZINC000652410673 565928907 /nfs/dbraw/zinc/92/89/07/565928907.db2.gz PMOSLCUXIDTBRM-UHFFFAOYSA-N 1 0 386.323 2.896 20 0 GFADRO O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)c1c[nH]c2ccc(Br)cc21 ZINC000676345993 565932051 /nfs/dbraw/zinc/93/20/51/565932051.db2.gz ZQXKBTSEIJKLMK-AWEZNQCLSA-N 1 0 392.297 2.914 20 0 GFADRO CSc1cc(NC(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)ccc1C ZINC000652615427 565935771 /nfs/dbraw/zinc/93/57/71/565935771.db2.gz DXBXHVISTRJQAT-AWEZNQCLSA-N 1 0 376.448 2.675 20 0 GFADRO [NH3+]CCC1CCN(C(=O)C(=O)Nc2cc(Cl)ccc2C(F)(F)F)CC1 ZINC000652642260 565936040 /nfs/dbraw/zinc/93/60/40/565936040.db2.gz CIPPQCGPXVQNPX-UHFFFAOYSA-N 1 0 377.794 2.885 20 0 GFADRO Brc1cccc(CCC[NH2+]Cc2cn(C[C@H]3CCOC3)nn2)c1 ZINC000631068534 565937889 /nfs/dbraw/zinc/93/78/89/565937889.db2.gz IWHFNQDBPZGWDN-OAHLLOKOSA-N 1 0 379.302 2.800 20 0 GFADRO OC[C@H]1CCN(Cc2ccccc2)C[C@H]1[NH2+]Cc1ccncc1Br ZINC000631075072 565938129 /nfs/dbraw/zinc/93/81/29/565938129.db2.gz AGQSGVAYIWHPIC-IEBWSBKVSA-N 1 0 390.325 2.817 20 0 GFADRO Brc1ccccc1C1(C[NH2+]Cc2cn(C[C@H]3CCOC3)nn2)CC1 ZINC000631078108 565938913 /nfs/dbraw/zinc/93/89/13/565938913.db2.gz QQQFFNRDVSDQCW-CQSZACIVSA-N 1 0 391.313 2.899 20 0 GFADRO O[C@@H](COc1ccc(Br)cc1)C[N@@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000676477245 565940408 /nfs/dbraw/zinc/94/04/08/565940408.db2.gz FYBLGRPTEYNIFP-HZPDHXFCSA-N 1 0 380.286 2.722 20 0 GFADRO CC(=O)Nc1cccc(C[NH2+]C[C@H](O)COc2ccccc2Br)c1 ZINC000631089347 565940494 /nfs/dbraw/zinc/94/04/94/565940494.db2.gz ATIUOTUUPTXMBO-INIZCTEOSA-N 1 0 393.281 2.937 20 0 GFADRO O=C(NCC[NH2+]Cc1ccc(C(F)F)nc1)c1ccc(Br)cn1 ZINC000631169729 565945290 /nfs/dbraw/zinc/94/52/90/565945290.db2.gz IAKWBRKYZDWRMQ-UHFFFAOYSA-N 1 0 385.212 2.696 20 0 GFADRO CN(C(=O)[C@@H]1[C@@H]2Cc3cc(Br)ccc3[C@@H]21)[C@H]1C[NH+]2CCC1CC2 ZINC000631233099 565949789 /nfs/dbraw/zinc/94/97/89/565949789.db2.gz HIZZLRDPBWJTAJ-VSZNYVQBSA-N 1 0 375.310 2.887 20 0 GFADRO Cc1nc2ccc(Br)cn2c1C(=O)N(C)CC[NH+]1CCCCC1 ZINC000652991861 565950482 /nfs/dbraw/zinc/95/04/82/565950482.db2.gz UGDKEUMRUCOKGD-UHFFFAOYSA-N 1 0 379.302 2.963 20 0 GFADRO CCC[N@H+](CC)C[C@H](C)Nc1cccc(OC(F)(F)F)c1S(N)(=O)=O ZINC000631279916 565951790 /nfs/dbraw/zinc/95/17/90/565951790.db2.gz WPIMLTDLARSMIV-NSHDSACASA-N 1 0 383.436 2.765 20 0 GFADRO O=C(Nc1cnc2c(c1)C[NH2+]CC2)[C@H]1CCOc2ccc(Br)cc21 ZINC000653128075 565955413 /nfs/dbraw/zinc/95/54/13/565955413.db2.gz MHOQQYKWGNBIIX-AWEZNQCLSA-N 1 0 388.265 2.995 20 0 GFADRO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCN(C(=O)c3cc(Br)ccc3F)C2)C1 ZINC000653190895 565958495 /nfs/dbraw/zinc/95/84/95/565958495.db2.gz PMZMSJIFLLGNET-NORZTCDRSA-N 1 0 385.277 2.947 20 0 GFADRO C[C@H]1CCCN(C(=O)Cc2cc3c(cc2Br)OCCO3)[C@H]1CC[NH3+] ZINC000653240275 565959664 /nfs/dbraw/zinc/95/96/64/565959664.db2.gz MAZXCFOXZKXPTA-WFASDCNBSA-N 1 0 397.313 2.739 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2C(=O)c2cc(Br)ccc2O)C1 ZINC000653261423 565960071 /nfs/dbraw/zinc/96/00/71/565960071.db2.gz RIWTXTNVMPSMCD-XPKDYRNWSA-N 1 0 383.286 2.656 20 0 GFADRO CCO[C@@H]1CN(C(=O)C2(c3ccc(Br)cc3)CCC2)C[C@H]1C[NH3+] ZINC000653245165 565960308 /nfs/dbraw/zinc/96/03/08/565960308.db2.gz PQLKJDBVAHNPCN-CZUORRHYSA-N 1 0 381.314 2.693 20 0 GFADRO C[C@H]1C[C@H]([NH3+])CCN1S(=O)(=O)Cc1ccc(Cl)cc1Br ZINC000653279258 565961477 /nfs/dbraw/zinc/96/14/77/565961477.db2.gz VHYZZVFUWWAEKW-JOYOIKCWSA-N 1 0 381.723 2.744 20 0 GFADRO CC[N@@H+]1CCN(C(=O)[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C[C@H]1C ZINC000677194082 565964148 /nfs/dbraw/zinc/96/41/48/565964148.db2.gz QCXGCZRVQSORCK-OCCSQVGLSA-N 1 0 384.307 2.899 20 0 GFADRO C[C@H](NC(=O)NCCOc1cccc(Br)c1)C1CC[NH+](C)CC1 ZINC000606649793 565968279 /nfs/dbraw/zinc/96/82/79/565968279.db2.gz KAOGXGDKXXYMBW-ZDUSSCGKSA-N 1 0 384.318 2.857 20 0 GFADRO O=C(NCc1n[nH]cc1Br)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000606694914 565970004 /nfs/dbraw/zinc/97/00/04/565970004.db2.gz SFVSQUFPHOIQEA-CQSZACIVSA-N 1 0 398.349 2.970 20 0 GFADRO CC(C)[C@H]([NH2+][C@@H](C)c1cccc(S(=O)(=O)N(C)C)c1)[C@H](O)C(F)(F)F ZINC000631715146 565970127 /nfs/dbraw/zinc/97/01/27/565970127.db2.gz OUFIUESOSBPOGL-CQDKDKBSSA-N 1 0 382.448 2.535 20 0 GFADRO CC[C@H]([NH2+][C@H](C)[C@H](O)C(F)(F)F)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000631716404 565970151 /nfs/dbraw/zinc/97/01/51/565970151.db2.gz LDECQSGVVXPXNH-WLTAIBSBSA-N 1 0 388.839 2.601 20 0 GFADRO CN(CCCC[NH+](C)C)C(=O)Cc1csc(NC(=O)c2cccs2)n1 ZINC000607036470 565976174 /nfs/dbraw/zinc/97/61/74/565976174.db2.gz ORXDBCFANRPSSC-UHFFFAOYSA-N 1 0 380.539 2.800 20 0 GFADRO COCC[N@@H+]1CCC[C@H](NC(=O)c2cc(Br)cc3cccnc32)C1 ZINC000677541320 565976941 /nfs/dbraw/zinc/97/69/41/565976941.db2.gz OJLSEBWHRHIJEN-HNNXBMFYSA-N 1 0 392.297 2.838 20 0 GFADRO COCC[N@@H+]1CCC[C@@H](NC(=O)c2cc(Br)cc3cccnc32)C1 ZINC000677541324 565977315 /nfs/dbraw/zinc/97/73/15/565977315.db2.gz OJLSEBWHRHIJEN-OAHLLOKOSA-N 1 0 392.297 2.838 20 0 GFADRO OCC[C@@H]1CN(Cc2ccncc2Cl)CCN1Cc1ccncc1Cl ZINC000653702808 565978088 /nfs/dbraw/zinc/97/80/88/565978088.db2.gz PDOJPHGCGPSNIX-MRXNPFEDSA-N 1 0 381.307 2.852 20 0 GFADRO O=C(CN1CCC[C@@H]2C[NH2+]CC[C@H]21)Nc1c(F)cc(F)cc1Br ZINC000631885768 565979988 /nfs/dbraw/zinc/97/99/88/565979988.db2.gz DSEVSQJSDMLUBP-QMTHXVAHSA-N 1 0 388.256 2.740 20 0 GFADRO O=S(=O)(c1cscc1Br)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000631908632 565982522 /nfs/dbraw/zinc/98/25/22/565982522.db2.gz VSNQHZDQJNEHNQ-CMPLNLGQSA-N 1 0 379.345 2.663 20 0 GFADRO C[C@@H](c1cccs1)N(Cc1ccccc1)S(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000631916049 565983423 /nfs/dbraw/zinc/98/34/23/565983423.db2.gz RZETZGWGJPJVQM-RDJZCZTQSA-N 1 0 380.535 2.630 20 0 GFADRO CC[C@@H]([NH2+]CC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl)[C@H]1CCCCO1 ZINC000653877351 565986255 /nfs/dbraw/zinc/98/62/55/565986255.db2.gz NKUNMIOZPOARST-GDBMZVCRSA-N 1 0 388.917 2.619 20 0 GFADRO O=C1C[C@H]([C@H]2CCCC[N@H+]2C[C@H](O)COc2ccc(Cl)c(Cl)c2)CN1 ZINC000677903865 565986641 /nfs/dbraw/zinc/98/66/41/565986641.db2.gz ZUURNUBWBOLYAF-GDZNZVCISA-N 1 0 387.307 2.724 20 0 GFADRO C[C@@H]1C[C@@H]([NH3+])CN1S(=O)(=O)c1ccc(Br)cc1C(F)(F)F ZINC000631973921 565987397 /nfs/dbraw/zinc/98/73/97/565987397.db2.gz NKLBQEMANNXRFT-VXNVDRBHSA-N 1 0 387.221 2.578 20 0 GFADRO CC(C)Oc1cc(Br)cc(NC(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)c1 ZINC000654014578 565990920 /nfs/dbraw/zinc/99/09/20/565990920.db2.gz ODNPVATYJLGFFJ-LSDHHAIUSA-N 1 0 398.301 2.519 20 0 GFADRO CC[NH+](CC)C[C@H]1CCN(S(=O)(=O)c2cscc2Br)C1 ZINC000632046893 565994908 /nfs/dbraw/zinc/99/49/08/565994908.db2.gz XHJJJAPBFAXABP-LLVKDONJSA-N 1 0 381.361 2.863 20 0 GFADRO O=S(=O)(c1onc(C2CC2)c1Cl)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000632128024 566002013 /nfs/dbraw/zinc/00/20/13/566002013.db2.gz NYXWFAIDRVGUIG-OCCSQVGLSA-N 1 0 385.917 2.843 20 0 GFADRO CN(CC[C@@H]1CCCC[N@@H+]1C)c1ccc(S(N)(=O)=O)cc1C(F)(F)F ZINC000608091443 566003849 /nfs/dbraw/zinc/00/38/49/566003849.db2.gz YFWMNBBAKNWEJJ-LBPRGKRZSA-N 1 0 379.448 2.663 20 0 GFADRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)S(=O)(=O)CCC(C)(F)F ZINC000632172526 566006750 /nfs/dbraw/zinc/00/67/50/566006750.db2.gz MVXNCOFNEMYPMF-UHFFFAOYSA-N 1 0 375.485 2.995 20 0 GFADRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N1CCOc2cccc(Br)c2C1 ZINC000654487443 566011550 /nfs/dbraw/zinc/01/15/50/566011550.db2.gz IVQNIALUMYMYNX-LRDDRELGSA-N 1 0 394.313 2.836 20 0 GFADRO O=S(=O)(CCC[NH+]1CCCC1)NCc1nc(-c2ccccc2F)cs1 ZINC000632285925 566018509 /nfs/dbraw/zinc/01/85/09/566018509.db2.gz BNVCWGHMYRJPQT-UHFFFAOYSA-N 1 0 383.514 2.855 20 0 GFADRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)N2CCOc3cccc(Br)c3C2)C1 ZINC000654664604 566018840 /nfs/dbraw/zinc/01/88/40/566018840.db2.gz FVJVTUSDJLLMGS-BETUJISGSA-N 1 0 382.302 2.693 20 0 GFADRO C[C@@H]1C[C@H]([NH2+][C@@H]2CCc3cc(Br)ccc32)C(=O)N1c1cnn(C)c1 ZINC000679067285 566029010 /nfs/dbraw/zinc/02/90/10/566029010.db2.gz RHVCJBXAKFELNN-LQAWEQHXSA-N 1 0 389.297 2.954 20 0 GFADRO CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cc(Br)cc(OC)c1 ZINC000632408337 566029388 /nfs/dbraw/zinc/02/93/88/566029388.db2.gz BWHJJJBWTQECDS-UHFFFAOYSA-N 1 0 391.331 2.563 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000654945483 566031446 /nfs/dbraw/zinc/03/14/46/566031446.db2.gz BWGCXDTVWDRNJO-ZBFHGGJFSA-N 1 0 394.313 2.829 20 0 GFADRO CC(C)(COc1ncccc1C(F)(F)F)[NH2+]CC[C@H]1CCS(=O)(=O)C1 ZINC000679435499 566040861 /nfs/dbraw/zinc/04/08/61/566040861.db2.gz ADBPMCVLMDVAKT-LBPRGKRZSA-N 1 0 380.432 2.672 20 0 GFADRO C[NH+](C)[C@H]1C[C@@H](CNS(=O)(=O)c2ccc(C(F)(F)C(F)(F)F)cc2)C1 ZINC000632535821 566042739 /nfs/dbraw/zinc/04/27/39/566042739.db2.gz BTRLRBKFZSZCHX-KLPPZKSPSA-N 1 0 386.386 2.959 20 0 GFADRO CC[NH+]1CCC(CNC(=O)N[C@@H](CCO)c2ccccc2Br)CC1 ZINC000679777510 566052481 /nfs/dbraw/zinc/05/24/81/566052481.db2.gz FQQVAPAVOFBXNB-KRWDZBQOSA-N 1 0 398.345 2.904 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)CCC[NH+]1CCC(C(N)=O)CC1 ZINC000679817505 566053214 /nfs/dbraw/zinc/05/32/14/566053214.db2.gz MSWGHSSQXFXJLZ-UHFFFAOYSA-N 1 0 396.329 2.982 20 0 GFADRO CNC(=O)[C@H]1CCC[N@@H+]1CCCC(=O)Nc1c(C)cc(Br)cc1C ZINC000679816008 566053739 /nfs/dbraw/zinc/05/37/39/566053739.db2.gz QWRJDEUUUPAVFJ-OAHLLOKOSA-N 1 0 396.329 2.995 20 0 GFADRO COCCOc1ccc(Br)cc1NC(=O)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC000655468283 566058738 /nfs/dbraw/zinc/05/87/38/566058738.db2.gz YWYOJAIUYYCHCZ-CXAGYDPISA-N 1 0 383.286 2.803 20 0 GFADRO Cc1csc(-c2ccc(S(=O)(=O)NC[C@@H]3CC[N@@H+](C4CC4)C3)cc2)n1 ZINC000655473575 566058868 /nfs/dbraw/zinc/05/88/68/566058868.db2.gz KNZNDAQVLAEIPS-AWEZNQCLSA-N 1 0 377.535 2.881 20 0 GFADRO Cc1csc(-c2ccc(S(=O)(=O)N3CC[C@@H]([NH+]4CCCC4)C3)cc2)n1 ZINC000655499359 566059739 /nfs/dbraw/zinc/05/97/39/566059739.db2.gz KDOWEUNGPANKFD-MRXNPFEDSA-N 1 0 377.535 2.977 20 0 GFADRO [NH3+]C[C@H](NC(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1)C(F)(F)F ZINC000655508397 566061033 /nfs/dbraw/zinc/06/10/33/566061033.db2.gz DBUTUMABSKVCPD-RYUDHWBXSA-N 1 0 398.212 2.604 20 0 GFADRO COc1cc(C[NH2+]Cc2cc(C)n[nH]2)cc(I)c1OC ZINC000610009959 566061305 /nfs/dbraw/zinc/06/13/05/566061305.db2.gz KULDBHLAIWBLNN-UHFFFAOYSA-N 1 0 387.221 2.630 20 0 GFADRO Cc1c(Br)cccc1CS(=O)(=O)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000655537853 566065390 /nfs/dbraw/zinc/06/53/90/566065390.db2.gz ZUWFWYWRVIYNNR-MEDUHNTESA-N 1 0 387.343 2.660 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2ccc(C(=O)OC)cc2Cl)C[C@H]1C ZINC000610135182 566068141 /nfs/dbraw/zinc/06/81/41/566068141.db2.gz MCDRERHAROBNHQ-TZMCWYRMSA-N 1 0 388.917 2.620 20 0 GFADRO Cn1c2ccccc2cc1S(=O)(=O)N(CC[NH+](C)C)Cc1ccsc1 ZINC000655604965 566072018 /nfs/dbraw/zinc/07/20/18/566072018.db2.gz GVEMHABNUDCNKW-UHFFFAOYSA-N 1 0 377.535 2.992 20 0 GFADRO CCC(C)(C)[NH+]1CCN(c2nnc(-c3cc(Br)cn3C)n2C)CC1 ZINC000655613156 566072691 /nfs/dbraw/zinc/07/26/91/566072691.db2.gz WBQYLPGDHNVMBY-UHFFFAOYSA-N 1 0 395.349 2.894 20 0 GFADRO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)Nc1cccc(Oc2ncc(Br)cn2)c1 ZINC000632922818 566074241 /nfs/dbraw/zinc/07/42/41/566074241.db2.gz KTQDXBIAZJRQIZ-ZYHUDNBSSA-N 1 0 392.257 2.985 20 0 GFADRO O=C(Nc1ccnn1Cc1ccccc1Br)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000632935235 566075310 /nfs/dbraw/zinc/07/53/10/566075310.db2.gz BURUVPKQYSFORN-OKILXGFUSA-N 1 0 390.285 2.662 20 0 GFADRO CC[NH+](CC)CCNC(=O)Nc1cc(C(=O)OC)c(F)cc1Br ZINC000610327099 566076644 /nfs/dbraw/zinc/07/66/44/566076644.db2.gz APKHVWBCWJFWRS-UHFFFAOYSA-N 1 0 390.253 2.838 20 0 GFADRO Cc1cc(Br)ccc1C(=O)N1CCC([NH2+]C[C@H]2CCOC2)CC1 ZINC000680634957 566079517 /nfs/dbraw/zinc/07/95/17/566079517.db2.gz BWRMYBPLVCKQPD-CQSZACIVSA-N 1 0 381.314 2.988 20 0 GFADRO COC(=O)[C@H](c1ccc(Cl)cc1Cl)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000610390823 566079966 /nfs/dbraw/zinc/07/99/66/566079966.db2.gz NUIYTMZSFBVIBI-ULQDDVLXSA-N 1 0 387.307 2.739 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N[C@@H]2CC[NH2+]CC(C)(C)C2)cc1Br ZINC000633046399 566080890 /nfs/dbraw/zinc/08/08/90/566080890.db2.gz RGIVAAGXDLKGPG-CYBMUJFWSA-N 1 0 396.329 2.899 20 0 GFADRO [NH3+]C[C@H]1CC[C@H](NC(=O)C(=O)Nc2ccc(Cl)c(OC(F)F)c2)CC1 ZINC000633036366 566080898 /nfs/dbraw/zinc/08/08/98/566080898.db2.gz LHJYXFQZWUIMJE-MGCOHNPYSA-N 1 0 375.803 2.514 20 0 GFADRO Brc1ccc(N2CC[C@@H]([NH2+]C3CCN([C@H]4CCOC4)CC3)C2)cc1 ZINC000655709402 566082723 /nfs/dbraw/zinc/08/27/23/566082723.db2.gz ZCBDCZQVQKEZTN-MJGOQNOKSA-N 1 0 394.357 2.871 20 0 GFADRO CCN(CC)S(=O)(=O)c1ccc(CC[NH2+][C@H]2CCCn3ccnc32)s1 ZINC000655708098 566082766 /nfs/dbraw/zinc/08/27/66/566082766.db2.gz CXGWEYOGISRAPU-HNNXBMFYSA-N 1 0 382.555 2.642 20 0 GFADRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)N[C@H]1[C@@H]2Cc3cc(Br)ccc3[C@@H]21 ZINC000633075757 566083066 /nfs/dbraw/zinc/08/30/66/566083066.db2.gz CLBMGCLRHJHBGY-MJQACMKBSA-N 1 0 390.325 2.871 20 0 GFADRO O[C@@H](C[NH2+]C1CCN([C@H]2CCOC2)CC1)COc1cccc(Cl)c1Cl ZINC000655699930 566083162 /nfs/dbraw/zinc/08/31/62/566083162.db2.gz HZXBZAXGBSXXJD-GJZGRUSLSA-N 1 0 389.323 2.576 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)N[C@@H]2[C@H]3Cc4cc(Br)ccc4[C@@H]23)CC[N@@H+]1C ZINC000633091214 566083839 /nfs/dbraw/zinc/08/38/39/566083839.db2.gz CAVWFLBWGSMHKC-HDEHWXGRSA-N 1 0 378.314 2.869 20 0 GFADRO Cc1nn(-c2ccccc2Br)cc1C[NH2+]CCC(=O)NC(C)C ZINC000655715916 566084005 /nfs/dbraw/zinc/08/40/05/566084005.db2.gz KDMFITARAHOWBL-UHFFFAOYSA-N 1 0 379.302 2.948 20 0 GFADRO CCS(=O)(=O)NCCC[NH2+]Cc1oc2ccccc2c1Br ZINC000655722570 566084166 /nfs/dbraw/zinc/08/41/66/566084166.db2.gz FJDWXRJMTVOVNQ-UHFFFAOYSA-N 1 0 375.288 2.614 20 0 GFADRO Cc1nn(-c2cccc(Br)c2)cc1C[NH2+]C[C@@H](CO)[C@H]1CCOC1 ZINC000655768305 566087193 /nfs/dbraw/zinc/08/71/93/566087193.db2.gz UUOXUBSGZKUASX-HOCLYGCPSA-N 1 0 394.313 2.678 20 0 GFADRO Cc1cc(Br)cc(C(=O)N(C)[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)c1 ZINC000680970880 566089456 /nfs/dbraw/zinc/08/94/56/566089456.db2.gz TYLWZMKWMNLUAW-GOSISDBHSA-N 1 0 394.357 2.998 20 0 GFADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@H]1CCc2ccccc2NC1=O ZINC000655791710 566089964 /nfs/dbraw/zinc/08/99/64/566089964.db2.gz PMFIVUCLGYXSSY-WBMJQRKESA-N 1 0 390.281 2.542 20 0 GFADRO C[C@H](c1ccccc1)[C@@H](CO)[NH2+]CC(=O)Nc1ccc(Br)cn1 ZINC000680988405 566090690 /nfs/dbraw/zinc/09/06/90/566090690.db2.gz AYDDNJIXZZHTQK-IUODEOHRSA-N 1 0 378.270 2.537 20 0 GFADRO Cn1nnc2c1CC[C@H]([NH2+]Cc1cc(Br)ccc1OC(F)F)C2 ZINC000655842180 566092455 /nfs/dbraw/zinc/09/24/55/566092455.db2.gz NDDSRXKJGRXTPV-NSHDSACASA-N 1 0 387.228 2.826 20 0 GFADRO [NH3+]C[C@H](NC(=O)N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1)C(F)(F)F ZINC000655922595 566096587 /nfs/dbraw/zinc/09/65/87/566096587.db2.gz QXLKVOISKIAMDN-UFBFGSQYSA-N 1 0 385.217 2.761 20 0 GFADRO C[C@H](Cc1ccc(F)c(Br)c1)NC(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000655923079 566096951 /nfs/dbraw/zinc/09/69/51/566096951.db2.gz ZUSRHPZRUUNGJH-RDDDGLTNSA-N 1 0 386.187 2.708 20 0 GFADRO C[NH+](C)CCn1cc(C(=O)N2CC[C@H](c3cccc(Br)c3)C2)cn1 ZINC000633314282 566097132 /nfs/dbraw/zinc/09/71/32/566097132.db2.gz TWXLZNPMCOFRFP-HNNXBMFYSA-N 1 0 391.313 2.837 20 0 GFADRO [NH3+]C[C@H](NC(=O)N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1)C(F)(F)F ZINC000655923040 566097194 /nfs/dbraw/zinc/09/71/94/566097194.db2.gz ZFYVWKHCVZBUDJ-SFYZADRCSA-N 1 0 390.353 2.941 20 0 GFADRO Cc1c(Br)cccc1CS(=O)(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000655949969 566097677 /nfs/dbraw/zinc/09/76/77/566097677.db2.gz GPSKNAMETVPKAN-SWLSCSKDSA-N 1 0 375.332 2.694 20 0 GFADRO O=C(N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)N1CCOc2cccc(Br)c2C1 ZINC000655969493 566099908 /nfs/dbraw/zinc/09/99/08/566099908.db2.gz JDBXEPNHKTXKTR-BFHYXJOUSA-N 1 0 394.313 2.741 20 0 GFADRO C[C@H]([NH2+]CCOC[C@@H]1CCOC1)c1ccc(I)cc1 ZINC000610815054 566101230 /nfs/dbraw/zinc/10/12/30/566101230.db2.gz IBSDIEBVMGBICE-QWHCGFSZSA-N 1 0 375.250 2.995 20 0 GFADRO CC1(CNC(=O)C(=O)NCCCc2c(Cl)cccc2Cl)CC[NH2+]CC1 ZINC000656024869 566101572 /nfs/dbraw/zinc/10/15/72/566101572.db2.gz TWGHXWIOMMNNSD-UHFFFAOYSA-N 1 0 386.323 2.548 20 0 GFADRO C[N@@H+]1CCCC[C@H]1C(=O)N1CCO[C@@H](c2ccc(F)c(Br)c2)C1 ZINC000681363826 566103847 /nfs/dbraw/zinc/10/38/47/566103847.db2.gz ZUOZVGAEOZEOOT-JKSUJKDBSA-N 1 0 385.277 2.972 20 0 GFADRO O=C(NC[C@H]1CCC[N@H+](CC2CC2)C1)c1cc(Br)c2nccn2c1 ZINC000633659835 566112091 /nfs/dbraw/zinc/11/20/91/566112091.db2.gz BVCJKAGERYFLSA-CQSZACIVSA-N 1 0 391.313 2.949 20 0 GFADRO C[N@@H+]1CCCC[C@H](CNC(=O)c2ccc3cncc(Br)c3n2)C1 ZINC000633679672 566113053 /nfs/dbraw/zinc/11/30/53/566113053.db2.gz UAYCJLJHIPCHOO-GFCCVEGCSA-N 1 0 377.286 2.854 20 0 GFADRO CNC(=O)[C@H](C)C[N@H+](C)Cc1cn(-c2ccccc2Br)nc1C ZINC000656254520 566117904 /nfs/dbraw/zinc/11/79/04/566117904.db2.gz HQFRSNRBIITMJE-GFCCVEGCSA-N 1 0 379.302 2.757 20 0 GFADRO CNC(=O)[C@H](C)C[N@H+](C)Cc1cn(-c2cccc(Br)c2)nc1C ZINC000656256712 566119101 /nfs/dbraw/zinc/11/91/01/566119101.db2.gz YJHRLKKPIQLAIT-GFCCVEGCSA-N 1 0 379.302 2.757 20 0 GFADRO COC[C@H]1C[C@@H](O)C[N@@H+]1Cc1cn(-c2cccc(Br)c2)nc1C ZINC000656264848 566120479 /nfs/dbraw/zinc/12/04/79/566120479.db2.gz VGDQLJAESVRQLN-IAGOWNOFSA-N 1 0 380.286 2.525 20 0 GFADRO CNC(=O)[C@H]1CC[N@H+](Cc2cn(-c3ccccc3Br)nc2C)C1 ZINC000656264602 566120772 /nfs/dbraw/zinc/12/07/72/566120772.db2.gz MXYDGCLIVCLPOQ-ZDUSSCGKSA-N 1 0 377.286 2.511 20 0 GFADRO COC[C@]1(CO)CC[N@H+](Cc2cn(-c3ccccc3Br)nc2C)C1 ZINC000656261428 566121239 /nfs/dbraw/zinc/12/12/39/566121239.db2.gz ARIIKEUVYKPJQP-GOSISDBHSA-N 1 0 394.313 2.774 20 0 GFADRO O=C(NCCc1cccc(Br)c1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000656320348 566123588 /nfs/dbraw/zinc/12/35/88/566123588.db2.gz BQWLKMJMIBFWQG-UHFFFAOYSA-N 1 0 389.297 2.918 20 0 GFADRO O=C(NC[C@H]1CCC[NH2+]C1)c1coc(-c2ccc(Br)cc2F)n1 ZINC000656359715 566125511 /nfs/dbraw/zinc/12/55/11/566125511.db2.gz QDNFWRNJORNVNK-JTQLQIEISA-N 1 0 382.233 2.973 20 0 GFADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)c1c(Br)cnn1C ZINC000633802473 566125717 /nfs/dbraw/zinc/12/57/17/566125717.db2.gz JCARTTMFAISHNE-HIFRSBDPSA-N 1 0 391.313 2.681 20 0 GFADRO CS[C@@H]1CN(C[C@@H](O)COc2ccc(Cl)c(Cl)c2)C[C@@H]1[NH+](C)C ZINC000611432605 566129379 /nfs/dbraw/zinc/12/93/79/566129379.db2.gz WBCGRPYMNSUDSL-XFBWCDHKSA-N 1 0 379.353 2.711 20 0 GFADRO O=C(C[NH2+]C1(CO)CCCCC1)Nc1ccc(I)cc1 ZINC000611462839 566131646 /nfs/dbraw/zinc/13/16/46/566131646.db2.gz DOSZBRUPHHAAOI-UHFFFAOYSA-N 1 0 388.249 2.515 20 0 GFADRO CC1(C)CN(Cc2ncc(-c3ccc(Br)cc3)o2)CC[N@@H+]1CCO ZINC000682034514 566140230 /nfs/dbraw/zinc/14/02/30/566140230.db2.gz HJYVPLWBVNJDCA-UHFFFAOYSA-N 1 0 394.313 2.993 20 0 GFADRO C[C@H](NC(=O)CN1CC[N@H+](CCO)C(C)(C)C1)c1ccc(Cl)c(Cl)c1 ZINC000682035227 566140785 /nfs/dbraw/zinc/14/07/85/566140785.db2.gz USKBLHFLULLBMK-ZDUSSCGKSA-N 1 0 388.339 2.559 20 0 GFADRO C[C@@H](CC(=O)Nc1cnn(C2CC[NH+](C)CC2)c1)n1cc(Br)cn1 ZINC000634097365 566143697 /nfs/dbraw/zinc/14/36/97/566143697.db2.gz ZGQOFJWDLYYIGW-LBPRGKRZSA-N 1 0 395.305 2.699 20 0 GFADRO Cc1ccc(Br)cc1CNC(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000682229917 566148417 /nfs/dbraw/zinc/14/84/17/566148417.db2.gz PGMCSJZQYYSLDH-UHFFFAOYSA-N 1 0 380.290 2.837 20 0 GFADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)Nc1cc(Br)ccc1C ZINC000682272417 566149340 /nfs/dbraw/zinc/14/93/40/566149340.db2.gz LOMOKCBEMPQOCE-AWEZNQCLSA-N 1 0 382.302 2.687 20 0 GFADRO C[NH+]1CCC2(CCCN2C(=O)C(=O)Nc2ccc(Br)c(F)c2)CC1 ZINC000682289919 566149906 /nfs/dbraw/zinc/14/99/06/566149906.db2.gz HUVDKWMDYLPFJM-UHFFFAOYSA-N 1 0 398.276 2.614 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)C(=O)N1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000682352026 566150091 /nfs/dbraw/zinc/15/00/91/566150091.db2.gz ILNHWQYLWKHHFJ-CQSZACIVSA-N 1 0 382.302 2.685 20 0 GFADRO COC1CC[NH+](CCNC(=O)C(C)(C)Oc2ccc(Br)cc2)CC1 ZINC000612055676 566150289 /nfs/dbraw/zinc/15/02/89/566150289.db2.gz BKXNNAOZDIZMRT-UHFFFAOYSA-N 1 0 399.329 2.834 20 0 GFADRO COc1c(Cl)cc(NC(=O)C(=O)N2CCC[C@H]([NH2+]C(C)C)C2)cc1Cl ZINC000682352462 566151610 /nfs/dbraw/zinc/15/16/10/566151610.db2.gz ORSCANWPQDUWFR-NSHDSACASA-N 1 0 388.295 2.930 20 0 GFADRO C[NH+]1CCC(n2cc(N[C@H](C(N)=O)c3cccc(Br)c3)cn2)CC1 ZINC000634578096 566160474 /nfs/dbraw/zinc/16/04/74/566160474.db2.gz YWTPXPMIOJGUIX-INIZCTEOSA-N 1 0 392.301 2.551 20 0 GFADRO Cc1nc(-c2ccc(CC[NH2+]C[C@@H](O)CC3(O)CCOCC3)s2)cs1 ZINC000634639215 566161882 /nfs/dbraw/zinc/16/18/82/566161882.db2.gz FAFYPKSKGDQYQH-AWEZNQCLSA-N 1 0 382.551 2.605 20 0 GFADRO O[C@H](C[NH2+]CC1(Cc2ccc(Br)cc2)CC1)CC1(O)CCOCC1 ZINC000634649092 566163783 /nfs/dbraw/zinc/16/37/83/566163783.db2.gz GFFDOBMJXBWKCZ-KRWDZBQOSA-N 1 0 398.341 2.654 20 0 GFADRO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NCc2c(Br)cnn2C)cc1F ZINC000656790378 566164802 /nfs/dbraw/zinc/16/48/02/566164802.db2.gz YSYVKLOJXXUSSC-WFASDCNBSA-N 1 0 397.292 2.566 20 0 GFADRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2nn(C(C)(C)C)cc2Br)C1 ZINC000612647677 566168354 /nfs/dbraw/zinc/16/83/54/566168354.db2.gz CNYZFELMDBXJEA-TZMCWYRMSA-N 1 0 383.334 2.957 20 0 GFADRO O=S(=O)(Cc1cc(F)ccc1Br)NCCC[NH+]1CCCCC1 ZINC000656867393 566170617 /nfs/dbraw/zinc/17/06/17/566170617.db2.gz RHKFUJCSEQAFJN-UHFFFAOYSA-N 1 0 393.322 2.884 20 0 GFADRO C[C@](O)(C[C@H](O)C[NH2+][C@@H]1CCN(c2ccccc2Br)C1)C1CC1 ZINC000634704146 566171003 /nfs/dbraw/zinc/17/10/03/566171003.db2.gz GSFBVNYKBUPTKA-VKJFTORMSA-N 1 0 383.330 2.529 20 0 GFADRO COCC[N@@H+]1CCC[C@H](NC(=O)c2cn(C)nc2-c2ccc(Cl)s2)C1 ZINC000682806880 566171241 /nfs/dbraw/zinc/17/12/41/566171241.db2.gz ZKXYAFMTSLMGLF-LBPRGKRZSA-N 1 0 382.917 2.643 20 0 GFADRO CC(C)(C[NH2+]C[C@@H](O)COc1cc(Cl)cc(Cl)c1)C1(O)CCOCC1 ZINC000634717366 566171823 /nfs/dbraw/zinc/17/18/23/566171823.db2.gz KHJAHZXZFVEFCJ-OAHLLOKOSA-N 1 0 392.323 2.890 20 0 GFADRO O=S(=O)(Cc1cc(F)ccc1Br)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000656877715 566172776 /nfs/dbraw/zinc/17/27/76/566172776.db2.gz PYVSSRYYDWAWSU-LSDHHAIUSA-N 1 0 391.306 2.634 20 0 GFADRO OC[C@H]([NH2+]C[C@H](O)COCc1cccs1)c1cccc(C(F)(F)F)c1 ZINC000634723691 566173237 /nfs/dbraw/zinc/17/32/37/566173237.db2.gz BCVRVEVBEKMULC-HOCLYGCPSA-N 1 0 375.412 2.968 20 0 GFADRO CC1(C)C[NH2+]CC[C@H](NC(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CC2)C1 ZINC000634755959 566175032 /nfs/dbraw/zinc/17/50/32/566175032.db2.gz LFXOABQUNCVWOA-AWEZNQCLSA-N 1 0 384.929 2.541 20 0 GFADRO O=S1(=O)CCCN1CCC[NH2+]Cc1ccc(Br)c(Cl)c1 ZINC000683144874 566184031 /nfs/dbraw/zinc/18/40/31/566184031.db2.gz HWAGMGADMPSMHL-UHFFFAOYSA-N 1 0 381.723 2.618 20 0 GFADRO CCCOC[C@@H](Cc1cccc(Br)c1)NC(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000612902091 566179058 /nfs/dbraw/zinc/17/90/58/566179058.db2.gz QAGGYEMZFUVIMS-AEFFLSMTSA-N 1 0 398.345 2.838 20 0 GFADRO CN(C[C@H]1CCC[N@H+](C)C1)S(=O)(=O)Cc1cc(F)ccc1Br ZINC000656905582 566179962 /nfs/dbraw/zinc/17/99/62/566179962.db2.gz QXUQBMVZLSNZDQ-LBPRGKRZSA-N 1 0 393.322 2.692 20 0 GFADRO O=S1(=O)CCC[C@@H]([NH2+][C@H]2CCN(c3ccccc3Br)C2)CC1 ZINC000634960723 566186196 /nfs/dbraw/zinc/18/61/96/566186196.db2.gz ATCYZNGBTKBVFD-KGLIPLIRSA-N 1 0 387.343 2.585 20 0 GFADRO O=S1(=O)CCC[C@H]([NH2+]Cc2cnn(-c3ccc(Br)cc3)c2)CC1 ZINC000634978927 566187086 /nfs/dbraw/zinc/18/70/86/566187086.db2.gz QHWRBKRXKDIMGY-HNNXBMFYSA-N 1 0 398.326 2.692 20 0 GFADRO CC[N@H+](C)C[C@H]1CCN(c2nc(N)c3cc(OC)cc(Br)c3n2)C1 ZINC000683185498 566187776 /nfs/dbraw/zinc/18/77/76/566187776.db2.gz RRKXUYFULGPHFS-LLVKDONJSA-N 1 0 394.317 2.761 20 0 GFADRO Cn1c(=O)oc2ccc(C[NH2+][C@@](C)(CO)c3ccc(Br)cc3)cc21 ZINC000634980702 566188267 /nfs/dbraw/zinc/18/82/67/566188267.db2.gz LMWTXPYCHALDLO-SFHVURJKSA-N 1 0 391.265 2.891 20 0 GFADRO C[C@@H](CC(F)(F)F)CS(=O)(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000656951042 566191947 /nfs/dbraw/zinc/19/19/47/566191947.db2.gz PFHKCMKYCKASAM-ZDUSSCGKSA-N 1 0 379.448 2.806 20 0 GFADRO O[C@H](COc1ccc(Br)cc1)CN1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000613440091 566197400 /nfs/dbraw/zinc/19/74/00/566197400.db2.gz KNIURGFVNRHWOO-SJORKVTESA-N 1 0 383.330 2.749 20 0 GFADRO C[NH+](C)[C@H]1CCN(c2ccc(NC(=O)c3ncc(Br)s3)nc2)C1 ZINC000683414366 566198414 /nfs/dbraw/zinc/19/84/14/566198414.db2.gz ISEJYGZNULJWMT-NSHDSACASA-N 1 0 396.314 2.693 20 0 GFADRO C[C@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)c1cc2c(cc1Br)OCCO2 ZINC000635391787 566209575 /nfs/dbraw/zinc/20/95/75/566209575.db2.gz WAMDAHSINKONPN-RYUDHWBXSA-N 1 0 383.286 2.739 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@@H](CNS(=O)(=O)c2ccc(F)cc2Br)C1 ZINC000657032686 566209641 /nfs/dbraw/zinc/20/96/41/566209641.db2.gz BNIBVIAGHQAAOB-NSHDSACASA-N 1 0 393.322 2.987 20 0 GFADRO COc1cc(Cl)c(S(=O)(=O)NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)cc1OC ZINC000657033597 566209799 /nfs/dbraw/zinc/20/97/99/566209799.db2.gz NFABUVNZSARHQQ-LBPRGKRZSA-N 1 0 390.933 2.756 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@H]1CNS(=O)(=O)Cc1ccc(Br)c(F)c1 ZINC000657036120 566210380 /nfs/dbraw/zinc/21/03/80/566210380.db2.gz ZNQIQPNLIGLUSD-LBPRGKRZSA-N 1 0 393.322 2.880 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@@H]1CNS(=O)(=O)Cc1cc(F)ccc1Br ZINC000657035436 566210653 /nfs/dbraw/zinc/21/06/53/566210653.db2.gz TYSKYKYZPMSUTJ-CYBMUJFWSA-N 1 0 393.322 2.880 20 0 GFADRO CN(Cc1csc(Br)c1)C(=O)C(C)(C)C[NH+]1CCOCC1 ZINC000635419436 566211935 /nfs/dbraw/zinc/21/19/35/566211935.db2.gz BRAADXMLXOQSTH-UHFFFAOYSA-N 1 0 375.332 2.827 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@@H](NS(=O)(=O)c2c(F)cccc2OC(F)(F)F)C1 ZINC000657060161 566214986 /nfs/dbraw/zinc/21/49/86/566214986.db2.gz FZDKZHBUYJLZRY-SNVBAGLBSA-N 1 0 384.395 2.875 20 0 GFADRO C[C@H](Oc1cc(Cl)cc(Cl)c1)C(=O)N1CCC[C@](O)(C[NH+](C)C)C1 ZINC000683913644 566219039 /nfs/dbraw/zinc/21/90/39/566219039.db2.gz ZCUYXRPKMCKMLC-SJCJKPOMSA-N 1 0 375.296 2.676 20 0 GFADRO Nc1c(Cl)c(F)cc(C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)c1Cl ZINC000635685812 566222758 /nfs/dbraw/zinc/22/27/58/566222758.db2.gz QZASVTIPFPWLTI-JTQLQIEISA-N 1 0 376.259 2.698 20 0 GFADRO Brc1ccc(CN2CC[NH+](C[C@H]3CNc4ccnn4C3)CC2)s1 ZINC000684193941 566230274 /nfs/dbraw/zinc/23/02/74/566230274.db2.gz CXWJSWWKHURIGF-CYBMUJFWSA-N 1 0 396.358 2.567 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)C[N@H+](C)C[C@@H]1CNc2ccnn2C1 ZINC000684194892 566230356 /nfs/dbraw/zinc/23/03/56/566230356.db2.gz JFNMUAFGWCRAJJ-ZDUSSCGKSA-N 1 0 392.301 2.566 20 0 GFADRO C[N@@H+]1CCC[C@H](NC(=O)N[C@@H](CO)c2ccc(Cl)cc2C(F)(F)F)C1 ZINC000684367305 566234839 /nfs/dbraw/zinc/23/48/39/566234839.db2.gz AEOBWBAVMPJBDU-FZMZJTMJSA-N 1 0 379.810 2.786 20 0 GFADRO CC(C)C[C@H]([NH2+]CC(=O)N1CCN(C)CC1)c1cccc(Br)c1 ZINC000684552965 566238051 /nfs/dbraw/zinc/23/80/51/566238051.db2.gz WNYGXEJUIBHQKI-KRWDZBQOSA-N 1 0 382.346 2.900 20 0 GFADRO C[C@@H]([NH2+]CCCCn1cc(Br)cn1)c1cccc(-n2cnnn2)c1 ZINC000684556862 566238704 /nfs/dbraw/zinc/23/87/04/566238704.db2.gz GACBMXJXDJXYOZ-CYBMUJFWSA-N 1 0 390.289 2.752 20 0 GFADRO CS(=O)(=O)C1(C[NH2+][C@@H](c2ccc(Br)cc2)[C@@H]2CCCO2)CC1 ZINC000684557993 566238802 /nfs/dbraw/zinc/23/88/02/566238802.db2.gz SQXJNSUTFOBPKJ-GJZGRUSLSA-N 1 0 388.327 2.836 20 0 GFADRO O=C(c1ccccc1-c1ccccc1-c1nn[nH]n1)N1CC[NH+](C2CCC2)CC1 ZINC000738278771 598826460 /nfs/dbraw/zinc/82/64/60/598826460.db2.gz NOAXZCBTGLFDJA-UHFFFAOYSA-N 1 0 388.475 2.844 20 0 GFADRO C[N@H+](Cc1ccccc1-c1nn[nH]n1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000736827844 598831915 /nfs/dbraw/zinc/83/19/15/598831915.db2.gz IIOZERTYYKWZIE-UHFFFAOYSA-N 1 0 376.464 2.603 20 0 GFADRO Cc1cccc([C@@H](C)C(=O)N(CC[NH+](C)C)Cc2cccc(-c3nn[nH]n3)c2)c1 ZINC000737385592 598832886 /nfs/dbraw/zinc/83/28/86/598832886.db2.gz UKTVDJCKMKALSK-QGZVFWFLSA-N 1 0 392.507 2.869 20 0 GFADRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)NCc2cccc(-c3nn[nH]n3)c2)C1 ZINC000736267213 598879597 /nfs/dbraw/zinc/87/95/97/598879597.db2.gz MKMVRKGAOGXNBJ-FUHWJXTLSA-N 1 0 397.527 2.663 20 0 GFADRO COc1ccc(C)cc1[C@@H](C)[NH2+][C@@H]1CCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000737076344 598959895 /nfs/dbraw/zinc/95/98/95/598959895.db2.gz QGQHHDYPTHSAHJ-RDTXWAMCSA-N 1 0 392.463 2.640 20 0 GFADRO C[C@@H]1C[N@H+](Cc2ccc(F)cc2-c2nn[nH]n2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000736289211 598989651 /nfs/dbraw/zinc/98/96/51/598989651.db2.gz KWKQLUMJOJSSMY-MLGOLLRUSA-N 1 0 390.463 2.741 20 0 GFADRO O=C(OCc1cccc(-c2nn[nH]n2)c1)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000738232231 599057813 /nfs/dbraw/zinc/05/78/13/599057813.db2.gz JUXNVDHKXHELIG-SFHVURJKSA-N 1 0 395.438 2.961 20 0 GFADRO O=C(OCc1cc(-c2nn[nH]n2)ccc1F)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000738236900 599057822 /nfs/dbraw/zinc/05/78/22/599057822.db2.gz ULFDVSMSTFMQLW-QGZVFWFLSA-N 1 0 395.438 2.961 20 0 GFADRO OC1CC[NH+](Cc2ccccc2CNc2cccc(F)c2-c2nn[nH]n2)CC1 ZINC000823707036 599084315 /nfs/dbraw/zinc/08/43/15/599084315.db2.gz VIVOJMNJRJDNMF-UHFFFAOYSA-N 1 0 382.443 2.575 20 0 GFADRO CC(C)(C[NH2+][C@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1)c1ccccc1Cl ZINC000735670994 599097592 /nfs/dbraw/zinc/09/75/92/599097592.db2.gz ZIEPTLRCFBDWQJ-INIZCTEOSA-N 1 0 384.871 2.614 20 0 GFADRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1snc(Cl)c1-c1nn[nH]n1 ZINC000821597941 599107591 /nfs/dbraw/zinc/10/75/91/599107591.db2.gz LUGRQJLKAHKSAL-ZDUSSCGKSA-N 1 0 389.916 2.935 20 0 GFADRO C[N@H+](Cc1ccccc1-c1nn[nH]n1)Cc1cc2c(cc1OC(F)F)OCO2 ZINC000736814691 599135509 /nfs/dbraw/zinc/13/55/09/599135509.db2.gz SDMLOSZDWAJTHA-UHFFFAOYSA-N 1 0 389.362 2.829 20 0 GFADRO O=C(CC[N@@H+]1CC[C@H](Cc2ccccc2)C1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000737839551 599136786 /nfs/dbraw/zinc/13/67/86/599136786.db2.gz VCKWCTXWFZODGW-QGZVFWFLSA-N 1 0 376.464 2.760 20 0 GFADRO C[C@H]1C[N@H+](CC(=O)NCc2cccc(-c3nn[nH]n3)c2)CC[C@H]1c1ccccc1 ZINC000736284867 599144246 /nfs/dbraw/zinc/14/42/46/599144246.db2.gz HFDKYRJYUHBPNM-OXJNMPFZSA-N 1 0 390.491 2.609 20 0 GFADRO O=C(NCc1cc(-c2nn[nH]n2)ccc1F)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000823234997 599176975 /nfs/dbraw/zinc/17/69/75/599176975.db2.gz QCMVGJLBHTXSBS-QGZVFWFLSA-N 1 0 394.454 2.534 20 0 GFADRO Cc1c(NC(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)cccc1-c1nn[nH]n1 ZINC000822096319 607291714 /nfs/dbraw/zinc/29/17/14/607291714.db2.gz KUPMPTAOASEHCB-KRWDZBQOSA-N 1 0 391.479 2.961 20 0 GFADRO CC[NH+](CC)[C@H]1CCN(C(=O)Nc2cc(-c3nn[nH]n3)ccc2OC(C)C)C1 ZINC000821182172 599264972 /nfs/dbraw/zinc/26/49/72/599264972.db2.gz SDGQEIPXYJEXER-HNNXBMFYSA-N 1 0 387.488 2.602 20 0 GFADRO CCc1ccc([C@@H]2CCC[N@@H+]2C[C@@H](O)COc2ccc(-c3nn[nH]n3)cc2)o1 ZINC000736689410 599272330 /nfs/dbraw/zinc/27/23/30/599272330.db2.gz WOIFPOFGBYQRAZ-QAPCUYQASA-N 1 0 383.452 2.599 20 0 GFADRO O=C(Nc1ccc(-c2nn[nH]n2)c(Cl)c1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000738152448 598264384 /nfs/dbraw/zinc/26/43/84/598264384.db2.gz UAERUYHAIZYPIU-ZDUSSCGKSA-N 1 0 375.864 2.612 20 0 GFADRO CCCN(CC[NH+](C)C)C(=O)c1ccccc1-c1ccccc1-c1nn[nH]n1 ZINC000736479932 598287943 /nfs/dbraw/zinc/28/79/43/598287943.db2.gz MVSBJWSUSCBIFL-UHFFFAOYSA-N 1 0 378.480 2.948 20 0 GFADRO O=C(NCc1ccc(-c2nn[nH]n2)cc1F)c1ccc(C[NH+]2CCCC2)cc1 ZINC000738102667 598304601 /nfs/dbraw/zinc/30/46/01/598304601.db2.gz SWMHSPVELXPKNY-UHFFFAOYSA-N 1 0 380.427 2.532 20 0 GFADRO CN(C(=O)c1cccc(-c2nn[nH]n2)c1)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000821574756 607354146 /nfs/dbraw/zinc/35/41/46/607354146.db2.gz VXORBTDTGXSCBB-UHFFFAOYSA-N 1 0 392.463 2.618 20 0 GFADRO O=C(c1ccccc1-c1ccccc1-c1nn[nH]n1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000738277934 598421460 /nfs/dbraw/zinc/42/14/60/598421460.db2.gz IDWVMHDNKSKWAY-INIZCTEOSA-N 1 0 388.475 2.844 20 0 GFADRO CC(C)N(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000736016760 598430054 /nfs/dbraw/zinc/43/00/54/598430054.db2.gz CMOZTRZHXFRFFR-INIZCTEOSA-N 1 0 385.516 2.519 20 0 GFADRO COc1ccc([C@@H](C)[NH2+]CCC(=O)Nc2sccc2-c2nn[nH]n2)cc1F ZINC000737073474 598453456 /nfs/dbraw/zinc/45/34/56/598453456.db2.gz RRJJXPNUWFIFAO-SNVBAGLBSA-N 1 0 390.444 2.755 20 0 GFADRO Cc1cc(C(=O)NC2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3F)CC2)c(C)o1 ZINC000737235398 598462820 /nfs/dbraw/zinc/46/28/20/598462820.db2.gz UQMZHZHAOZWQNL-UHFFFAOYSA-N 1 0 398.442 2.610 20 0 GFADRO CC(C)(C)OC(=O)N1CCC(CC[NH2+]Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000735624809 598465317 /nfs/dbraw/zinc/46/53/17/598465317.db2.gz BBWGOBSLUQVALX-UHFFFAOYSA-N 1 0 386.500 2.994 20 0 GFADRO C[NH+](C)C1(CNC(=O)N(Cc2ccc(-c3nn[nH]n3)cc2)C2CC2)CCCCC1 ZINC000736755604 598476644 /nfs/dbraw/zinc/47/66/44/598476644.db2.gz AZHXWYAGHNZREV-UHFFFAOYSA-N 1 0 397.527 2.805 20 0 GFADRO O=C(C[NH2+]C1(c2ccc(F)cc2)CC1)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000737892620 598487890 /nfs/dbraw/zinc/48/78/90/598487890.db2.gz XTSIBQKGSFEWPH-UHFFFAOYSA-N 1 0 386.818 2.877 20 0 GFADRO c1ccc(-c2nn[nH]n2)c(CSCC[NH2+]Cc2cnc3ccccc3n2)c1 ZINC000738421270 598494126 /nfs/dbraw/zinc/49/41/26/598494126.db2.gz CQAARIOOFLCIGS-UHFFFAOYSA-N 1 0 377.477 2.833 20 0 GFADRO C[N@@H+]1CCC[C@@H](CNC(=O)c2ccccc2-c2ccccc2-c2nn[nH]n2)C1 ZINC000736859302 598497176 /nfs/dbraw/zinc/49/71/76/598497176.db2.gz YYFHIJWMXVPUIT-HNNXBMFYSA-N 1 0 376.464 2.605 20 0 GFADRO C[N@@H+]1CCC[C@@H](CNC(=O)c2cccc(Oc3ccc(-c4nn[nH]n4)cc3)c2)C1 ZINC000736858884 598497356 /nfs/dbraw/zinc/49/73/56/598497356.db2.gz VKVRULSBYOTLMD-HNNXBMFYSA-N 1 0 392.463 2.731 20 0 GFADRO Cc1c2ccccc2oc1[C@@H](C)[NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000737209282 598523653 /nfs/dbraw/zinc/52/36/53/598523653.db2.gz MBYDVTNSXNPZBI-CHWSQXEVSA-N 1 0 378.440 2.510 20 0 GFADRO CN1CCC[C@@H]1C[NH2+]Cc1cccc(OCc2ccccc2-c2nn[nH]n2)c1 ZINC000736860086 598562276 /nfs/dbraw/zinc/56/22/76/598562276.db2.gz LKUYIBHMBJIRTD-GOSISDBHSA-N 1 0 378.480 2.630 20 0 GFADRO Clc1cccc(C[N@@H+]2CCCC[C@H]2CNc2nccnc2-c2nn[nH]n2)c1 ZINC000737576576 598594113 /nfs/dbraw/zinc/59/41/13/598594113.db2.gz ZEVRMNATBXENSU-HNNXBMFYSA-N 1 0 384.875 2.777 20 0 GFADRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)Nc1ccc(F)c(-c2nn[nH]n2)c1 ZINC000736269490 598630332 /nfs/dbraw/zinc/63/03/32/598630332.db2.gz XCIROHFVCLEPIQ-ZDUSSCGKSA-N 1 0 375.452 2.782 20 0 GFADRO O[C@@H](C[NH+]1CCC(CNc2ccc(-c3nn[nH]n3)cc2)CC1)c1ccccc1 ZINC000738382977 598673437 /nfs/dbraw/zinc/67/34/37/598673437.db2.gz UNBSSOWRFNQGFN-FQEVSTJZSA-N 1 0 378.480 2.724 20 0 GFADRO O=C(Nc1cccc(-c2nn[nH]n2)c1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000738177615 598698539 /nfs/dbraw/zinc/69/85/39/598698539.db2.gz BAVWVRCLKJKQJQ-INIZCTEOSA-N 1 0 383.500 2.987 20 0 GFADRO CN(C(=O)c1cccc(Oc2ccc(-c3nn[nH]n3)cc2)c1)C1CC[NH+](C)CC1 ZINC000736853747 598701949 /nfs/dbraw/zinc/70/19/49/598701949.db2.gz ZZDDOBQCPFZBHX-UHFFFAOYSA-N 1 0 392.463 2.825 20 0 GFADRO Cc1nc2c(s1)[C@@H]([N@H+](C)CCC(=O)Nc1ccc(-c3nn[nH]n3)cc1)CCC2 ZINC000737486532 598707895 /nfs/dbraw/zinc/70/78/95/598707895.db2.gz CLGKNODAYYJWNC-INIZCTEOSA-N 1 0 397.508 2.970 20 0 GFADRO CC1CC[NH+](C[C@H]2CCCN(C(=O)NCc3cccc(-c4nn[nH]n4)c3)C2)CC1 ZINC000736274553 598725806 /nfs/dbraw/zinc/72/58/06/598725806.db2.gz ACNFSJRYQONBOQ-GOSISDBHSA-N 1 0 397.527 2.520 20 0 GFADRO CC(C)[NH2+]C1CCN(C(=O)Nc2cc(-c3nn[nH]n3)ccc2OC(C)C)CC1 ZINC000735888768 598728748 /nfs/dbraw/zinc/72/87/48/598728748.db2.gz QFDPBNNGKCCHAD-UHFFFAOYSA-N 1 0 387.488 2.648 20 0 GFADRO Cc1cc(C(=O)N(CC[NH+](C)C)Cc2ccc(-c3nn[nH]n3)cc2)ccc1F ZINC000737226553 598736724 /nfs/dbraw/zinc/73/67/24/598736724.db2.gz BRKFUZCLVJMNBB-UHFFFAOYSA-N 1 0 382.443 2.518 20 0 GFADRO CCn1cncc1[C@H]1CCCC[N@@H+]1CCC(=O)Nc1ccccc1-c1nn[nH]n1 ZINC000736722636 598762471 /nfs/dbraw/zinc/76/24/71/598762471.db2.gz PLEQPVBLSLCQAN-QGZVFWFLSA-N 1 0 394.483 2.639 20 0 GFADRO CC(=O)Nc1cccc(C[NH+]2CCC(Oc3ccc(-c4nn[nH]n4)cc3)CC2)c1 ZINC000735488300 598764719 /nfs/dbraw/zinc/76/47/19/598764719.db2.gz ITTWWSUIRZYLIW-UHFFFAOYSA-N 1 0 392.463 2.869 20 0 GFADRO COC(=O)c1cccc(C[NH+]2CCC(Oc3ccc(-c4nn[nH]n4)cc3)CC2)c1 ZINC000736950115 598767279 /nfs/dbraw/zinc/76/72/79/598767279.db2.gz WQMOHEXQURNRED-UHFFFAOYSA-N 1 0 393.447 2.697 20 0 GFADRO C[C@H](C(=O)Nc1cccc(-c2nn[nH]n2)c1)N1CCC[C@H]([NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC000735561428 598809334 /nfs/dbraw/zinc/80/93/34/598809334.db2.gz KDDUOGBUULRGNW-GGXPGOJBSA-N 1 0 397.527 2.531 20 0 GFADRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(Cc2cn3ccccc3c2-c2nn[nH]n2)C1 ZINC000736236427 598809914 /nfs/dbraw/zinc/80/99/14/598809914.db2.gz JPHIWNYZHXYTCM-SOLBZPMBSA-N 1 0 379.512 2.957 20 0 GFADRO COc1ccccc1CN1CC[NH+]([C@H](C)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000737149383 599315904 /nfs/dbraw/zinc/31/59/04/599315904.db2.gz HVSFGCHQNNCTQP-MRXNPFEDSA-N 1 0 378.480 2.754 20 0 GFADRO Cc1cc(N2CCC[C@H]([NH2+][C@@H](C)c3ccc(-c4nn[nH]n4)cc3)C2)nc(C)n1 ZINC000737272016 599317366 /nfs/dbraw/zinc/31/73/66/599317366.db2.gz OZZLGZKUSOQBAQ-KSSFIOAISA-N 1 0 378.484 2.593 20 0 GFADRO C[C@H]1SCC[N@H+](CCC(=O)Nc2sc3c(c2-c2nn[nH]n2)CCC3)[C@H]1C ZINC000736301523 599321836 /nfs/dbraw/zinc/32/18/36/599321836.db2.gz OCUVDLPDXGBMOP-WDEREUQCSA-N 1 0 392.554 2.571 20 0 GFADRO CCS[C@@H]1CC[C@H]([N@H+](C)Cn2c(C)nnc2-c2cccc(-c3nn[nH]n3)c2)C1 ZINC000821446846 599330302 /nfs/dbraw/zinc/33/03/02/599330302.db2.gz DQZIEKJOMNIRPN-DLBZAZTESA-N 1 0 398.540 2.997 20 0 GFADRO CC(C)[C@@H](CO)[N@H+](CCOc1ccc(-c2nn[nH]n2)cc1)Cc1ccccc1 ZINC000735710198 599353901 /nfs/dbraw/zinc/35/39/01/599353901.db2.gz NCWRZILAIYOKJV-HXUWFJFHSA-N 1 0 381.480 2.765 20 0 GFADRO COc1cc(OC)c(CC[NH2+][C@@H](C)c2ccc(-c3nn[nH]n3)cc2)c(OC)c1 ZINC000821723897 599376524 /nfs/dbraw/zinc/37/65/24/599376524.db2.gz LTTVFRBGPWCUIF-ZDUSSCGKSA-N 1 0 383.452 2.786 20 0 GFADRO C[C@@H]([NH2+][C@@H](C)C(=O)N[C@H]1CCOc2ccccc21)c1cccc(-c2nn[nH]n2)c1 ZINC000820412162 599391008 /nfs/dbraw/zinc/39/10/08/599391008.db2.gz KPJMWKXMUPCAAB-GLJUWKHASA-N 1 0 392.463 2.546 20 0 GFADRO COc1ccc(C[NH2+]C[C@H](c2ccccc2Cl)N(C)C)cc1-c1nn[nH]n1 ZINC000821808612 599394034 /nfs/dbraw/zinc/39/40/34/599394034.db2.gz JGLVUGPSCZDTJB-QGZVFWFLSA-N 1 0 386.887 2.921 20 0 GFADRO COc1ccc(CN[C@H](C[NH+]2CCCC2)c2ccccc2)cc1-c1nn[nH]n1 ZINC000821804618 599398517 /nfs/dbraw/zinc/39/85/17/599398517.db2.gz OMGOJNGZINGRTF-LJQANCHMSA-N 1 0 378.480 2.802 20 0 GFADRO CCCC(=O)Nc1cccc(C[NH2+]Cc2ccc(OC)c(-c3nn[nH]n3)c2)c1 ZINC000821009039 599406842 /nfs/dbraw/zinc/40/68/42/599406842.db2.gz NCLOCGUFJXIXPF-UHFFFAOYSA-N 1 0 380.452 2.904 20 0 GFADRO C[C@H](NC(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1cccc(-c2nn[nH]n2)c1 ZINC000820650536 599417350 /nfs/dbraw/zinc/41/73/50/599417350.db2.gz VQKLHBHSNDINEF-BBWFWOEESA-N 1 0 399.543 2.985 20 0 GFADRO COc1ccc(C[NH2+]Cc2cc(Cl)c(OC)c(OC)c2)cc1-c1nn[nH]n1 ZINC000821817899 599426648 /nfs/dbraw/zinc/42/66/48/599426648.db2.gz AVODVYVWRIGGBD-UHFFFAOYSA-N 1 0 389.843 2.836 20 0 GFADRO COc1ccc(C[NH2+]CC(=O)Nc2cccc3ccccc32)cc1-c1nn[nH]n1 ZINC000821810375 599437671 /nfs/dbraw/zinc/43/76/71/599437671.db2.gz ZTTUKOHVFGQCBB-UHFFFAOYSA-N 1 0 388.431 2.757 20 0 GFADRO COc1ccc(C[NH2+]C[C@@H]2CCCN2Cc2ccccc2)cc1-c1nn[nH]n1 ZINC000821809397 599439303 /nfs/dbraw/zinc/43/93/03/599439303.db2.gz NNTGKXWBCUZXBJ-SFHVURJKSA-N 1 0 378.480 2.630 20 0 GFADRO C[C@@H]([NH2+]Cc1cccc(OCc2cccc(-c3nn[nH]n3)c2)c1)[C@@H]1CCOC1 ZINC000820438425 599449130 /nfs/dbraw/zinc/44/91/30/599449130.db2.gz PGJPLBOJCQVWBL-DNVCBOLYSA-N 1 0 379.464 2.960 20 0 GFADRO C[C@H](C[NH2+]Cc1cnc2ccc(-c3nn[nH]n3)cn12)Oc1ccccc1Cl ZINC000820274921 599453951 /nfs/dbraw/zinc/45/39/51/599453951.db2.gz MHUNHPFFAVJVOR-GFCCVEGCSA-N 1 0 383.843 2.725 20 0 GFADRO C[NH+](C)CC1CCN(c2c(-c3nn[nH]n3)cnc3c(F)ccc(Cl)c32)CC1 ZINC000821583263 599482782 /nfs/dbraw/zinc/48/27/82/599482782.db2.gz OISKRRILYRTNAU-UHFFFAOYSA-N 1 0 389.866 2.985 20 0 GFADRO COc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1cnc2ccc(-c3nn[nH]n3)cn12 ZINC000737115404 599489261 /nfs/dbraw/zinc/48/92/61/599489261.db2.gz PNPCGRAABXSWDQ-SFHVURJKSA-N 1 0 375.436 2.690 20 0 GFADRO c1nc2ccc(-c3nn[nH]n3)cn2c1CNC[C@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000738421722 599491791 /nfs/dbraw/zinc/49/17/91/599491791.db2.gz UMUCOUDRMBEHEH-GOSISDBHSA-N 1 0 394.527 2.649 20 0 GFADRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1sccc1-c1nn[nH]n1 ZINC000821197941 599546208 /nfs/dbraw/zinc/54/62/08/599546208.db2.gz PGVFZXTVZWTSPZ-INIZCTEOSA-N 1 0 396.520 2.912 20 0 GFADRO Cc1ccccc1[C@@H]1C[C@@H](C)[N@@H+](C[C@H](O)COc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000737421447 599585035 /nfs/dbraw/zinc/58/50/35/599585035.db2.gz NHLADLIHXZVMKC-QRQLOZEOSA-N 1 0 393.491 2.793 20 0 GFADRO Cc1ccccc1[C@@H]1C[C@@H](C)[N@@H+]([C@@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000737424953 599585544 /nfs/dbraw/zinc/58/55/44/599585544.db2.gz ZUPGQJDOQCTLRZ-LSBZLQRGSA-N 1 0 376.464 2.580 20 0 GFADRO C[N@H+](CCC(=O)Nc1cccc(-c2nn[nH]n2)c1)[C@H]1CCc2ccccc2C1 ZINC000821598348 599638484 /nfs/dbraw/zinc/63/84/84/599638484.db2.gz ZIEDCHSLFMPRLL-IBGZPJMESA-N 1 0 376.464 2.685 20 0 GFADRO CCO[C@H]1C[C@H]([N@H+](C)CCC(=O)Nc2cccc(-c3nn[nH]n3)c2)C12CCCC2 ZINC000821359237 599639467 /nfs/dbraw/zinc/63/94/67/599639467.db2.gz MUYWTAKPFZTXAL-ROUUACIJSA-N 1 0 398.511 2.865 20 0 GFADRO CC[C@](C)([NH2+]CCC(=O)Nc1ccc(-c2nn[nH]n2)cc1)c1nc(C)cs1 ZINC000820852376 599645240 /nfs/dbraw/zinc/64/52/40/599645240.db2.gz AFLRWGBGAJKXKG-SFHVURJKSA-N 1 0 385.497 2.875 20 0 GFADRO C[C@@H](NC(=O)N[C@@H](C[NH+](C)C)c1ccccc1)c1cccc(-c2nn[nH]n2)c1 ZINC000820349818 599666584 /nfs/dbraw/zinc/66/65/84/599666584.db2.gz IWWNXDNPZJAFRO-KDOFPFPSSA-N 1 0 379.468 2.530 20 0 GFADRO C[C@H](NC(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1)c1cccc(-c2nn[nH]n2)c1 ZINC000820697655 599671959 /nfs/dbraw/zinc/67/19/59/599671959.db2.gz JWQZSESCZIARLA-SIFCLUCFSA-N 1 0 385.516 2.737 20 0 GFADRO O=C(Nc1ccc(F)c(-c2nn[nH]n2)c1)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000823338071 599700439 /nfs/dbraw/zinc/70/04/39/599700439.db2.gz XPVBWSLRRUZTKM-UHFFFAOYSA-N 1 0 375.367 2.819 20 0 GFADRO CC[C@@H](C)[N@H+](C)CCNC(=O)Nc1ccc(OC(C)C)c(-c2nn[nH]n2)c1 ZINC000820876191 607428028 /nfs/dbraw/zinc/42/80/28/607428028.db2.gz MYNKKQWGDVOUIJ-CYBMUJFWSA-N 1 0 375.477 2.506 20 0 GFADRO CC[NH+](CC)[C@@H](CNC(=O)NC1(c2cccc(-c3nn[nH]n3)c2)CC1)CC(C)C ZINC000825405488 607447862 /nfs/dbraw/zinc/44/78/62/607447862.db2.gz BTMFAIXVFQNCAZ-GOSISDBHSA-N 1 0 399.543 2.912 20 0 GFADRO Cc1oc(NC(=O)C[N@@H+](C)[C@@H]2CCc3ccccc3C2)c(-c2nn[nH]n2)c1C ZINC000822542079 607450972 /nfs/dbraw/zinc/45/09/72/607450972.db2.gz URNFKWVFCIQKKP-MRXNPFEDSA-N 1 0 380.452 2.504 20 0 GFADRO CCN(CC)C(=O)C1([NH2+]Cc2cc(-c3nn[nH]n3)ccc2OC)CCCCC1 ZINC000825399336 607465936 /nfs/dbraw/zinc/46/59/36/607465936.db2.gz QEDBPAOVGDSIQI-UHFFFAOYSA-N 1 0 386.500 2.536 20 0 GFADRO CCOC(=O)C(F)(F)[C@H]1CCC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC000821319256 607466042 /nfs/dbraw/zinc/46/60/42/607466042.db2.gz CKWYEGHBZSHUAC-UONOGXRCSA-N 1 0 397.401 2.853 20 0 GFADRO Cc1nc([C@H](C)[NH2+]C2CCN(c3ccc(-c4nn[nH]n4)cn3)CC2)c(C)s1 ZINC000822427791 607467176 /nfs/dbraw/zinc/46/71/76/607467176.db2.gz VCOVPJPNSQUHMH-NSHDSACASA-N 1 0 384.513 2.655 20 0 GFADRO CCN1C[C@@H](C[N@H+](C)Cc2ccc(OC)c(-c3nn[nH]n3)c2)Oc2ccccc21 ZINC000825450820 607481833 /nfs/dbraw/zinc/48/18/33/607481833.db2.gz DJMNSBIWGZXZAB-MRXNPFEDSA-N 1 0 394.479 2.595 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(F)c(NC(=O)[O-])c1 ZINC000829764889 601037350 /nfs/dbraw/zinc/03/73/50/601037350.db2.gz AXCBIYWAZRTEPS-HNNXBMFYSA-N 1 0 395.479 2.795 20 0 GFADRO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCC[N@@H+]1Cc1ccnc(-c2nn[nH]n2)c1 ZINC000824507220 607491513 /nfs/dbraw/zinc/49/15/13/607491513.db2.gz VQZYJZMOQVEFTB-BBRMVZONSA-N 1 0 387.488 2.529 20 0 GFADRO COc1ccc(C[N@@H+]2CCCC[C@H]2Cn2nc(C)cc2C)cc1-c1nn[nH]n1 ZINC000826194664 607496943 /nfs/dbraw/zinc/49/69/43/607496943.db2.gz SBIWJGQOSVTFRG-KRWDZBQOSA-N 1 0 381.484 2.743 20 0 GFADRO C[C@H](NC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)c1ccc(-c2nn[nH]n2)cc1 ZINC000820352559 607498197 /nfs/dbraw/zinc/49/81/97/607498197.db2.gz VWTWPVPUSAUSQS-YJLNNSPDSA-N 1 0 395.511 2.586 20 0 GFADRO O[C@H](c1ccc(Cl)cc1)C1CC[NH+](Cc2ccnc(-c3nn[nH]n3)c2)CC1 ZINC000826505456 607499888 /nfs/dbraw/zinc/49/98/88/607499888.db2.gz WDVSVMRWJVGNSN-GOSISDBHSA-N 1 0 384.871 2.861 20 0 GFADRO COc1ccc(-c2nn[nH]n2)cc1C[N@H+](C)Cc1cc(OC)c(OC)cc1C ZINC000821732868 607504464 /nfs/dbraw/zinc/50/44/64/607504464.db2.gz WECGVRNDULMCBK-UHFFFAOYSA-N 1 0 383.452 2.833 20 0 GFADRO COc1ccc(-c2nn[nH]n2)cc1C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000826183056 607513822 /nfs/dbraw/zinc/51/38/22/607513822.db2.gz CDFNBGYMZVIKFB-QGZVFWFLSA-N 1 0 393.447 2.984 20 0 GFADRO COc1cccc(C[NH+]2CCC(C(=O)Nc3cccc(-c4nn[nH]n4)c3)CC2)c1 ZINC000826216237 607656589 /nfs/dbraw/zinc/65/65/89/607656589.db2.gz PLZTUGPLWCSCDI-UHFFFAOYSA-N 1 0 392.463 2.726 20 0 GFADRO C[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)C[N@@H+]1Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC000824883371 607750163 /nfs/dbraw/zinc/75/01/63/607750163.db2.gz GSXRJRMCFQYSRZ-JSGCOSHPSA-N 1 0 390.463 2.741 20 0 GFADRO O=C([O-])N1CCOC[C@@H]1[C@@H]1CCC[C@@H]1[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000834121667 605828236 /nfs/dbraw/zinc/82/82/36/605828236.db2.gz ZDSVQMRTWUCPMH-HSALFYBXSA-N 1 0 379.545 2.921 20 0 GFADRO O=C([O-])N1CCC(CC[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)CC1 ZINC000834074584 605897279 /nfs/dbraw/zinc/89/72/79/605897279.db2.gz OFTFPPORSBLSDA-HXUWFJFHSA-N 1 0 375.513 2.513 20 0 GFADRO O=C(NCc1ccc(-c2nn[nH]n2)cc1F)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000823249674 606019701 /nfs/dbraw/zinc/01/97/01/606019701.db2.gz FZCCDTSCNHXDLW-LJQANCHMSA-N 1 0 394.454 2.677 20 0 GFADRO C[C@@H]1CC(C)(C)C[C@@](CO)([NH2+]Cc2nnc(-c3cccc(-c4nn[nH]n4)c3)o2)C1 ZINC000820650245 606068396 /nfs/dbraw/zinc/06/83/96/606068396.db2.gz SNKIGVYENHDKFX-XCLFUZPHSA-N 1 0 397.483 2.584 20 0 GFADRO Cc1ccc(NC(=O)[C@@H]2CCC[N@@H+]([C@@H](C)c3ccc(-c4nn[nH]n4)cc3)C2)nc1 ZINC000822242482 606072252 /nfs/dbraw/zinc/07/22/52/606072252.db2.gz MLKZUNOFGOCLJP-MAUKXSAKSA-N 1 0 391.479 2.982 20 0 GFADRO C[C@@H](CCNC(=O)NCc1ccc(-c2nn[nH]n2)cc1)[N@H+](C)Cc1ccccc1 ZINC000820241976 606116311 /nfs/dbraw/zinc/11/63/11/606116311.db2.gz KWPMBKXTAQYKKX-INIZCTEOSA-N 1 0 393.495 2.577 20 0 GFADRO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000820995565 606132403 /nfs/dbraw/zinc/13/24/03/606132403.db2.gz UIHPLQNQTOPDQV-CHWSQXEVSA-N 1 0 375.864 2.611 20 0 GFADRO C[C@@H](c1ccc([S@](C)=O)cc1)[N@H+](C)CCOc1ccccc1-c1nn[nH]n1 ZINC000820563301 606159143 /nfs/dbraw/zinc/15/91/43/606159143.db2.gz PSQVGBOGVILILR-PWFNWSNSSA-N 1 0 385.493 2.676 20 0 GFADRO C[C@@H](c1ccc([S@](C)=O)cc1)[N@H+](C)CCOc1cccc(-c2nn[nH]n2)c1 ZINC000820563305 606159526 /nfs/dbraw/zinc/15/95/26/606159526.db2.gz PVWHYRCQUQWOJA-PWFNWSNSSA-N 1 0 385.493 2.676 20 0 GFADRO CC(C)(C)C[C@@H]1CCC[N@@H+]1CCS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000819906687 606186421 /nfs/dbraw/zinc/18/64/21/606186421.db2.gz IVKSBVFVPAVMBA-HNNXBMFYSA-N 1 0 377.514 2.541 20 0 GFADRO C[C@H]1C[C@H](NC(=O)c2ccc(-c3nn[nH]n3)s2)CC[N@@H+]1Cc1ccccc1 ZINC000820658047 606187245 /nfs/dbraw/zinc/18/72/45/606187245.db2.gz OYSIAVGYNSIQQR-DZGCQCFKSA-N 1 0 382.493 2.711 20 0 GFADRO CC[C@H](C)[C@@H]1CCCC[N@@H+]1CCS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000820859609 606189548 /nfs/dbraw/zinc/18/95/48/606189548.db2.gz GCXNXTYFJFGYCN-YOEHRIQHSA-N 1 0 377.514 2.541 20 0 GFADRO C[C@H](c1ccccc1)[C@H](C)[NH2+][C@H]1CCN(c2sccc2-c2nn[nH]n2)C1=O ZINC000820418540 606309183 /nfs/dbraw/zinc/30/91/83/606309183.db2.gz BFVUPDOURBFQDN-XEZPLFJOSA-N 1 0 382.493 2.815 20 0 GFADRO C[C@@]1(CCc2ccccc2)CC[N@@H+]([C@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000820612234 606337793 /nfs/dbraw/zinc/33/77/93/606337793.db2.gz CECCPZTUBMYLJP-SIKLNZKXSA-N 1 0 390.491 2.738 20 0 GFADRO C[NH+](C)Cc1cc(CNC(=O)Nc2ccc(F)cc2-c2nn[nH]n2)ccc1F ZINC000821587087 606346127 /nfs/dbraw/zinc/34/61/27/606346127.db2.gz GBCYZGOIGYOAQG-UHFFFAOYSA-N 1 0 387.394 2.528 20 0 GFADRO C[C@@H](NC(=O)NC1CC[NH+](C2CCCC2)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000820360454 606381402 /nfs/dbraw/zinc/38/14/02/606381402.db2.gz YXCKSEBCBRSKJQ-CQSZACIVSA-N 1 0 383.500 2.634 20 0 GFADRO c1cc(-c2nn[nH]n2)sc1C[NH2+]CC1(N2CCSCC2)CCCCC1 ZINC000823748144 606419198 /nfs/dbraw/zinc/41/91/98/606419198.db2.gz RDDPJTQMXNMIPV-UHFFFAOYSA-N 1 0 378.571 2.770 20 0 GFADRO C[C@@H]1CC(C)(C)C[C@](CO)([NH2+]Cc2nnc(-c3ccc(-c4nn[nH]n4)cc3)o2)C1 ZINC000820650668 606434373 /nfs/dbraw/zinc/43/43/73/606434373.db2.gz XGZOEUOYHLQXCF-ZUOKHONESA-N 1 0 397.483 2.584 20 0 GFADRO COc1cc(CC2C[NH+](Cc3ccc(-c4nn[nH]n4)cc3F)C2)cc(OC)c1 ZINC000821713235 606438661 /nfs/dbraw/zinc/43/86/61/606438661.db2.gz SIXNIGYAMHREKK-UHFFFAOYSA-N 1 0 383.427 2.698 20 0 GFADRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000820759347 606483588 /nfs/dbraw/zinc/48/35/88/606483588.db2.gz JPCJTJFMUMJXJT-DNVCBOLYSA-N 1 0 391.479 2.899 20 0 GFADRO Cc1noc([C@@H]2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3OC(F)F)C2)n1 ZINC000822528268 606483701 /nfs/dbraw/zinc/48/37/01/606483701.db2.gz ZKFMZOOCUWYPNF-CYBMUJFWSA-N 1 0 391.382 2.539 20 0 GFADRO FC(F)Oc1cc(-c2nn[nH]n2)ccc1C[NH+]1CCC(c2ncc[nH]2)CC1 ZINC000822733251 606492573 /nfs/dbraw/zinc/49/25/73/606492573.db2.gz VIJNJCOBKUFVOV-UHFFFAOYSA-N 1 0 375.383 2.571 20 0 GFADRO CC[NH+](CC)CCOc1ccccc1NC(=O)c1ccc(-c2nn[nH]n2)s1 ZINC000821197226 606499969 /nfs/dbraw/zinc/49/99/69/606499969.db2.gz HUZDHMSPFADJOA-UHFFFAOYSA-N 1 0 386.481 2.901 20 0 GFADRO FC(F)Oc1cc(-c2nn[nH]n2)ccc1C[NH+]1CCC(OCC2CC2)CC1 ZINC000822732880 606505259 /nfs/dbraw/zinc/50/52/59/606505259.db2.gz NLZIKCKKNYVKSW-UHFFFAOYSA-N 1 0 379.411 2.859 20 0 GFADRO C[N@@H+]1CCC[C@@H](CNC(=O)c2cc(-c3nn[nH]n3)cs2)[C@@H]1c1cccs1 ZINC000821623589 606518249 /nfs/dbraw/zinc/51/82/49/606518249.db2.gz NTWXOIKYQRWJIJ-XHDPSFHLSA-N 1 0 388.522 2.803 20 0 GFADRO c1ccc(CC[N@@H+](CCOc2ccc(-c3nn[nH]n3)cc2)[C@H]2CCOC2)cc1 ZINC000823780052 606526161 /nfs/dbraw/zinc/52/61/61/606526161.db2.gz NDFLNDZFUHQAGW-IBGZPJMESA-N 1 0 379.464 2.579 20 0 GFADRO C[C@H]1C[C@@H](NC(=O)c2cc(-c3nn[nH]n3)cs2)CC[N@@H+]1Cc1ccccc1 ZINC000820655221 606544161 /nfs/dbraw/zinc/54/41/61/606544161.db2.gz ACVHIQUKWIBFEB-BBRMVZONSA-N 1 0 382.493 2.711 20 0 GFADRO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821189637 606550989 /nfs/dbraw/zinc/55/09/89/606550989.db2.gz QXCGTFBADXIGIQ-UHFFFAOYSA-N 1 0 384.406 2.603 20 0 GFADRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000821622173 606553992 /nfs/dbraw/zinc/55/39/92/606553992.db2.gz UZLWKZJWSFNGEM-UHFFFAOYSA-N 1 0 390.491 2.532 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)c2ccccc2-c2ccccc2-c2nn[nH]n2)C[N@@H+]1C1CC1 ZINC000820655428 606624170 /nfs/dbraw/zinc/62/41/70/606624170.db2.gz AYUMFYODMOFUSR-HUUCEWRRSA-N 1 0 388.475 2.889 20 0 GFADRO C[NH+](C)CCCCCOC(=O)c1ccc(Oc2ccc(-c3nn[nH]n3)cn2)cc1 ZINC000821584443 606647090 /nfs/dbraw/zinc/64/70/90/606647090.db2.gz DNQYEGRMBJEZBX-UHFFFAOYSA-N 1 0 396.451 2.943 20 0 GFADRO C[N@H+](CCCc1[nH]nc(N)c1-c1nn[nH]n1)Cc1ccc(-c2ccccc2)cc1 ZINC000821601545 606700617 /nfs/dbraw/zinc/70/06/17/606700617.db2.gz MZIQIUMIWOCURF-UHFFFAOYSA-N 1 0 388.479 2.904 20 0 GFADRO CCc1oc(C(=O)N(CC[NH+](C)C)Cc2cccc(-c3nn[nH]n3)c2)cc1C ZINC000821559048 606713367 /nfs/dbraw/zinc/71/33/67/606713367.db2.gz QLZFWEALLWDORR-UHFFFAOYSA-N 1 0 382.468 2.535 20 0 GFADRO CC[C@@H]1CC[N@H+](CC(=O)Nc2c(-c3nn[nH]n3)c(C)c(C)n2Cc2ccco2)C1 ZINC000820988983 606714309 /nfs/dbraw/zinc/71/43/09/606714309.db2.gz JQYWBVUHCJUYKU-OAHLLOKOSA-N 1 0 397.483 2.597 20 0 GFADRO C[C@]1(c2ccccc2)CC[N@H+](CCC(=O)Nc2cccc(-c3nn[nH]n3)c2)C1 ZINC000820634173 606717688 /nfs/dbraw/zinc/71/76/88/606717688.db2.gz FUTSWXBWNXTJOV-NRFANRHFSA-N 1 0 376.464 2.859 20 0 GFADRO Cc1cc(-c2nn[nH]n2)ccc1Oc1ccc(C(=O)NCCC[NH+](C)C)cc1 ZINC000822146260 606773773 /nfs/dbraw/zinc/77/37/73/606773773.db2.gz XDUYZLHFJJCWOK-UHFFFAOYSA-N 1 0 380.452 2.649 20 0 GFADRO C[NH+](C)C[C@H]1CCCN1C(=O)c1cccc(Nc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000821583138 606791379 /nfs/dbraw/zinc/79/13/79/606791379.db2.gz JVFNIQFFCLKUPD-LJQANCHMSA-N 1 0 391.479 2.777 20 0 GFADRO O[C@H](C[NH2+]CCc1ccc(C(F)(F)F)cc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823682156 606844966 /nfs/dbraw/zinc/84/49/66/606844966.db2.gz NDKDUOAVSSELFE-MRXNPFEDSA-N 1 0 377.370 2.751 20 0 GFADRO O[C@H](C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2)c1ccc(-c2nn[nH]n2)cc1 ZINC000823681480 606849439 /nfs/dbraw/zinc/84/94/39/606849439.db2.gz DUTGNZISMPGBGI-QZTJIDSGSA-N 1 0 393.447 2.508 20 0 GFADRO O[C@@H](C[NH2+]Cc1ccccc1OC(F)(F)F)c1ccc(-c2nn[nH]n2)cc1 ZINC000823689811 606849848 /nfs/dbraw/zinc/84/98/48/606849848.db2.gz JLCCNZRYNKXGMT-AWEZNQCLSA-N 1 0 379.342 2.589 20 0 GFADRO CCO[C@H]1C[C@H]([N@H+](C)Cn2ccc(-c3ccc(-c4nn[nH]n4)cc3)n2)C12CCC2 ZINC000821359292 606854180 /nfs/dbraw/zinc/85/41/80/606854180.db2.gz NJTVHUGIKUUZER-OALUTQOASA-N 1 0 393.495 2.967 20 0 GFADRO O[C@H](C[NH+]1CCC(OCC2CCCCC2)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823675111 606862695 /nfs/dbraw/zinc/86/26/95/606862695.db2.gz UUGJMYWZLMQBMU-HXUWFJFHSA-N 1 0 385.512 2.961 20 0 GFADRO FC(F)(F)c1cc(N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)ccc1-c1nn[nH]n1 ZINC000822723790 606876799 /nfs/dbraw/zinc/87/67/99/606876799.db2.gz OMHMSYOCHQWRNI-HOTGVXAUSA-N 1 0 396.417 2.941 20 0 GFADRO COc1ccccc1C[C@H]1CCC[N@@H+]1C[C@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821890028 606890085 /nfs/dbraw/zinc/89/00/85/606890085.db2.gz JDJOQXDWXJHYHJ-MOPGFXCFSA-N 1 0 379.464 2.616 20 0 GFADRO CN(C)c1cccc([C@H]2CCC[N@@H+]2C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)c1 ZINC000821589354 606903048 /nfs/dbraw/zinc/90/30/48/606903048.db2.gz KLJYOXKAYJBGBS-UXHICEINSA-N 1 0 378.480 2.803 20 0 GFADRO CCc1nnc(NC[C@H](c2cccc(F)c2)[NH+](C)C)c(-c2nn[nH]n2)c1CC ZINC000821535663 606910002 /nfs/dbraw/zinc/91/00/02/606910002.db2.gz NCFUDCOJDQINDO-MRXNPFEDSA-N 1 0 384.463 2.635 20 0 GFADRO CC[C@H]1CN(C)c2ccccc2C[N@@H+]1C[C@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000820995546 606910821 /nfs/dbraw/zinc/91/08/21/606910821.db2.gz TZZSPVHQYGFKEG-ICSRJNTNSA-N 1 0 378.480 2.631 20 0 GFADRO O[C@@H](C[C@H]1CCC[N@@H+]1CCCOc1cccc(-c2nn[nH]n2)c1)c1ccco1 ZINC000823673319 606912125 /nfs/dbraw/zinc/91/21/25/606912125.db2.gz KSNPRQIPIFIITA-AEFFLSMTSA-N 1 0 383.452 2.817 20 0 GFADRO C[C@H]1CC[C@H](CC(=O)N2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC000820683769 607023086 /nfs/dbraw/zinc/02/30/86/607023086.db2.gz HCFBGXXWHKHUBR-WMZOPIPTSA-N 1 0 382.512 2.727 20 0 GFADRO CC(C)(Oc1ccc(-c2nn[nH]n2)cc1)C(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000819991966 607023511 /nfs/dbraw/zinc/02/35/11/607023511.db2.gz NKTBMZRPPHAPAH-QGZVFWFLSA-N 1 0 398.511 2.501 20 0 GFADRO c1ccc(C[N@@H+]2CCC[C@@H]3CN(c4ccc(-c5nn[nH]n5)nc4)CC[C@H]32)cc1 ZINC000823780124 607032109 /nfs/dbraw/zinc/03/21/09/607032109.db2.gz OJHNZOPTJDMZTQ-YLJYHZDGSA-N 1 0 375.480 2.753 20 0 GFADRO Cc1ccc(NC(=O)C2CC[NH+](Cc3cc(F)ccc3-c3nn[nH]n3)CC2)nc1 ZINC000822242843 607060650 /nfs/dbraw/zinc/06/06/50/607060650.db2.gz ZVEOATHQIVQFLE-UHFFFAOYSA-N 1 0 395.442 2.560 20 0 GFADRO O=C(NC[C@H]1CCC[N@@H+](Cc2cc(F)ccc2-c2nn[nH]n2)C1)c1ccccc1 ZINC000823175256 607072683 /nfs/dbraw/zinc/07/26/83/607072683.db2.gz DBILDNLBPWEEIV-OAHLLOKOSA-N 1 0 394.454 2.648 20 0 GFADRO COc1ccc(NC(=O)C[C@@H](C)[NH2+][C@@H](C)c2cccc(-c3nn[nH]n3)c2)cc1 ZINC000821831783 607088682 /nfs/dbraw/zinc/08/86/82/607088682.db2.gz MKJDOSXKXKTUAM-KGLIPLIRSA-N 1 0 380.452 2.943 20 0 GFADRO COc1ccccc1NC(=O)C[C@H](C)[NH2+][C@H](C)c1cccc(-c2nn[nH]n2)c1 ZINC000821896789 607088798 /nfs/dbraw/zinc/08/87/98/607088798.db2.gz BIUMPELURICWEB-UONOGXRCSA-N 1 0 380.452 2.943 20 0 GFADRO CC[NH+](CC)CCN(Cc1cccs1)C(=O)Cc1cccc(-c2nn[nH]n2)c1 ZINC000821190022 607131810 /nfs/dbraw/zinc/13/18/10/607131810.db2.gz XSOFUDZYQSZHOT-UHFFFAOYSA-N 1 0 398.536 2.841 20 0 GFADRO C[C@@H]1C[NH+](CCCCNc2nc3ccccc3cc2-c2nn[nH]n2)C[C@@H](C)O1 ZINC000820758714 607173653 /nfs/dbraw/zinc/17/36/53/607173653.db2.gz BVOKXAIQIMDYKW-HUUCEWRRSA-N 1 0 381.484 2.716 20 0 GFADRO C[C@H](CNC(=O)Nc1ccc(-c2nn[nH]n2)cc1Cl)[N@@H+]1CCC[C@H](C)C1 ZINC000820709038 607201507 /nfs/dbraw/zinc/20/15/07/607201507.db2.gz CFDZBPNINNGSRP-NWDGAFQWSA-N 1 0 377.880 2.762 20 0 GFADRO Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000822237214 607228436 /nfs/dbraw/zinc/22/84/36/607228436.db2.gz KFWNEURGMLBGKN-UHFFFAOYSA-N 1 0 392.463 2.788 20 0 GFADRO COc1ccc(C[NH+]2CCN(c3cccc(F)c3-c3nn[nH]n3)CC2)c(C)c1 ZINC000826195580 607792232 /nfs/dbraw/zinc/79/22/32/607792232.db2.gz YTIHXTQPZLTSJD-UHFFFAOYSA-N 1 0 382.443 2.645 20 0 GFADRO COc1ccc(C[N@@H+]2CCCN(c3ccccc3-c3nn[nH]n3)CC2)c(C)c1 ZINC000826194862 607792378 /nfs/dbraw/zinc/79/23/78/607792378.db2.gz YBODJXCKJFMDPP-UHFFFAOYSA-N 1 0 378.480 2.896 20 0 GFADRO CCC[C@@H]([NH2+]CCS(=O)(=O)c1cccc(-c2nn[nH]n2)c1)c1ccccc1 ZINC000825242639 607814612 /nfs/dbraw/zinc/81/46/12/607814612.db2.gz XHDSOAJAZCGSDM-GOSISDBHSA-N 1 0 385.493 2.771 20 0 GFADRO O=S(=O)(CC[N@@H+]1CCC[C@@H]1C1CCCCC1)c1cccc(-c2nn[nH]n2)c1 ZINC000826484966 607815700 /nfs/dbraw/zinc/81/57/00/607815700.db2.gz WUGOVXMLFZSXHT-GOSISDBHSA-N 1 0 389.525 2.685 20 0 GFADRO C[C@@H](CNC(=O)c1c(Cl)cc(-c2nn[nH]n2)cc1Cl)C[NH+]1CCCC1 ZINC000824420071 607833893 /nfs/dbraw/zinc/83/38/93/607833893.db2.gz FPXYMOVCSLERJB-JTQLQIEISA-N 1 0 383.283 2.635 20 0 GFADRO O=C(c1c(Cl)cc(-c2nn[nH]n2)cc1Cl)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000826468400 607834713 /nfs/dbraw/zinc/83/47/13/607834713.db2.gz OMTTWVROJTYIAA-GFCCVEGCSA-N 1 0 395.294 2.874 20 0 GFADRO COc1ccc([C@H](CNc2cnccc2-c2nn[nH]n2)[NH+]2CCCCC2)cc1 ZINC000826189170 607838802 /nfs/dbraw/zinc/83/88/02/607838802.db2.gz OWIZBNKQNWGZJZ-IBGZPJMESA-N 1 0 379.468 2.909 20 0 GFADRO Clc1ccc(-c2nn[nH]n2)c(N2CC[C@@H](OCC[NH+]3CCCCC3)C2)c1 ZINC000826351606 607849791 /nfs/dbraw/zinc/84/97/91/607849791.db2.gz SNVRIBCAIFYASE-OAHLLOKOSA-N 1 0 376.892 2.601 20 0 GFADRO Clc1ccc(N2CC[C@H](OCC[NH+]3CCCCC3)C2)c(-c2nn[nH]n2)c1 ZINC000826352229 607849971 /nfs/dbraw/zinc/84/99/71/607849971.db2.gz TUBUUOWLEQCSFH-HNNXBMFYSA-N 1 0 376.892 2.601 20 0 GFADRO C[NH2+]CCCc1[nH]nc(NC(=O)C[C@H](c2ccccc2)C(C)C)c1-c1nn[nH]n1 ZINC000826077151 608021874 /nfs/dbraw/zinc/02/18/74/608021874.db2.gz BLGICGJGMHEKOS-HNNXBMFYSA-N 1 0 396.499 2.510 20 0 GFADRO COc1ccc(-c2nn[nH]n2)cc1C[N@H+](Cc1ccc(O)c(OC)c1)C1CC1 ZINC000826179629 608039871 /nfs/dbraw/zinc/03/98/71/608039871.db2.gz WYWAPVBUCSXJBE-UHFFFAOYSA-N 1 0 381.436 2.754 20 0 GFADRO COc1ccc([C@](C)(O)[C@@H]2CCC[N@@H+]2Cc2ccc(-c3nn[nH]n3)cc2F)cc1 ZINC000826188036 608064428 /nfs/dbraw/zinc/06/44/28/608064428.db2.gz LZXSPRCQENQHIP-FPOVZHCZSA-N 1 0 397.454 2.887 20 0 GFADRO CC(C)[NH+](CCS[C@@H]1CCN(c2ccc(-c3nn[nH]n3)cc2)C1=O)C(C)C ZINC000824292806 608077813 /nfs/dbraw/zinc/07/78/13/608077813.db2.gz AJRYTOZXGAPSAM-QGZVFWFLSA-N 1 0 388.541 2.824 20 0 GFADRO CN1CC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)[C@@H]1c1ccc(F)c(F)c1 ZINC000826028946 608113671 /nfs/dbraw/zinc/11/36/71/608113671.db2.gz KZFSUCWJHRPNTI-HOCLYGCPSA-N 1 0 376.436 2.741 20 0 GFADRO Cc1ccc([C@@H]2CC[N@@H+]([C@H]3CCN(c4sccc4-c4nn[nH]n4)C3=O)C2)cc1 ZINC000826285803 608126580 /nfs/dbraw/zinc/12/65/80/608126580.db2.gz KGEPRIZRIDEHHZ-WBVHZDCISA-N 1 0 394.504 2.831 20 0 GFADRO Cc1ccc([C@@H]2CC[N@@H+]([C@@H]3CCN(c4ccc(-c5nn[nH]n5)cc4)C3=O)C2)cc1 ZINC000826285777 608127532 /nfs/dbraw/zinc/12/75/32/608127532.db2.gz JNZBJRQLNUVTLR-UYAOXDASSA-N 1 0 388.475 2.770 20 0 GFADRO Cc1cccc([C@H]2CC[N@@H+]([C@@H]3CCN(c4sccc4-c4nn[nH]n4)C3=O)C2)c1 ZINC000826297945 608128173 /nfs/dbraw/zinc/12/81/73/608128173.db2.gz XRVSDDBUFMBNFS-DOTOQJQBSA-N 1 0 394.504 2.831 20 0 GFADRO C[C@@H](C[N@H+](C)Cc1cn(C)nc1-c1ccc(-c2nn[nH]n2)cc1)c1nccs1 ZINC000824414057 608131695 /nfs/dbraw/zinc/13/16/95/608131695.db2.gz SWDVUZQKJZOODT-ZDUSSCGKSA-N 1 0 394.508 2.959 20 0 GFADRO COc1ccc(C[NH2+]Cc2cn(C)nc2C2CCCCC2)cc1-c1nn[nH]n1 ZINC000826202536 608132941 /nfs/dbraw/zinc/13/29/41/608132941.db2.gz CTQHRIUOGYJUQM-UHFFFAOYSA-N 1 0 381.484 2.946 20 0 GFADRO CC(C)C[C@@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)[NH2+][C@H](C)c1ccccc1 ZINC000824236426 608153879 /nfs/dbraw/zinc/15/38/79/608153879.db2.gz NRIJYCRJFGDYAA-ZBFHGGJFSA-N 1 0 381.484 2.690 20 0 GFADRO CC[N@@H+]1C[C@@H](C)N(C(=S)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)C[C@H]1C ZINC000825444277 608227306 /nfs/dbraw/zinc/22/73/06/608227306.db2.gz LGIYLOQIOOZTIR-GHMZBOCLSA-N 1 0 379.921 2.631 20 0 GFADRO COC(=O)C(C)(C)[C@H]1CCC[N@H+](CCCOc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000826098887 608265380 /nfs/dbraw/zinc/26/53/80/608265380.db2.gz SJHXEXSIXSQIQW-INIZCTEOSA-N 1 0 387.484 2.547 20 0 GFADRO COc1ccccc1[C@H](CNc1nc(C)ccc1-c1nn[nH]n1)[NH+]1CCCC1 ZINC000826219281 608270090 /nfs/dbraw/zinc/27/00/90/608270090.db2.gz XIFLGZBGSQANNQ-KRWDZBQOSA-N 1 0 379.468 2.828 20 0 GFADRO COc1ccc([C@@H](CNc2nc(C)ccc2-c2nn[nH]n2)[NH+]2CCCC2)cc1 ZINC000826189422 608270101 /nfs/dbraw/zinc/27/01/01/608270101.db2.gz VKJJUDCZKUFYMI-GOSISDBHSA-N 1 0 379.468 2.828 20 0 GFADRO COc1cc(NC(C)=O)ccc1[C@@H](C)[NH2+]CCOc1ccc(-c2nn[nH]n2)cc1 ZINC000826180678 608283157 /nfs/dbraw/zinc/28/31/57/608283157.db2.gz RZZARQVNBSVFGA-CYBMUJFWSA-N 1 0 396.451 2.563 20 0 GFADRO COCc1cc([C@@H](C)[NH2+]Cc2ccc(OC)c(-c3nn[nH]n3)c2)ccc1OC ZINC000826164300 608286656 /nfs/dbraw/zinc/28/66/56/608286656.db2.gz PMYZLEZEEZCBIX-CYBMUJFWSA-N 1 0 383.452 2.881 20 0 GFADRO CCC[C@H](C(=O)NCc1ccc(-c2ccccc2-c2nn[nH]n2)cc1)[NH+](C)C ZINC000825225187 608327298 /nfs/dbraw/zinc/32/72/98/608327298.db2.gz NNYAZRAMPNILOC-LJQANCHMSA-N 1 0 378.480 2.880 20 0 GFADRO C[C@@H](NC(=O)N1CCC(CCC[NH+](C)C)CC1)c1cccc(-c2nn[nH]n2)c1 ZINC000824490913 608332929 /nfs/dbraw/zinc/33/29/29/608332929.db2.gz RAPGALRFBFVHJX-OAHLLOKOSA-N 1 0 385.516 2.691 20 0 GFADRO COc1cc(-c2nn[nH]n2)ccc1C[N@@H+]1CCC[C@H](c2noc(C(C)C)n2)C1 ZINC000826168998 608356897 /nfs/dbraw/zinc/35/68/97/608356897.db2.gz DZFPMIYYHYDQTP-HNNXBMFYSA-N 1 0 383.456 2.761 20 0 GFADRO COc1cc(-c2nn[nH]n2)ccc1C[N@H+](C)[C@H]1CCCN(c2ccccc2)C1 ZINC000826167652 608366750 /nfs/dbraw/zinc/36/67/50/608366750.db2.gz MCBBNOSAENHQKF-IBGZPJMESA-N 1 0 378.480 2.976 20 0 GFADRO C[NH+](C)CCCC1CCN(C(=O)Nc2ccc(F)c(-c3nn[nH]n3)c2)CC1 ZINC000825859214 608383900 /nfs/dbraw/zinc/38/39/00/608383900.db2.gz DQXPVHGJILGYNB-UHFFFAOYSA-N 1 0 375.452 2.592 20 0 GFADRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNc3ccc(-c4nn[nH]n4)nn3)cc2)C1 ZINC000824875944 608399577 /nfs/dbraw/zinc/39/95/77/608399577.db2.gz PRJNTHSLUFLUMC-GASCZTMLSA-N 1 0 378.484 2.747 20 0 GFADRO O=C(NC1CC[NH+](Cc2cccc(-c3nn[nH]n3)c2F)CC1)C1CCCCC1 ZINC000826431532 608402889 /nfs/dbraw/zinc/40/28/89/608402889.db2.gz FASSKVTYYAGESQ-UHFFFAOYSA-N 1 0 386.475 2.667 20 0 GFADRO C[C@H]1C[N@H+](Cc2cccc(-c3nn[nH]n3)c2F)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000824984942 608406271 /nfs/dbraw/zinc/40/62/71/608406271.db2.gz PQMNKYXFVPXSSP-WFASDCNBSA-N 1 0 390.463 2.741 20 0 GFADRO CCOc1ccc([C@H](C)[NH2+]CCC(=O)Nc2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000825631454 608430428 /nfs/dbraw/zinc/43/04/28/608430428.db2.gz AAXWJZFWINSKJY-AWEZNQCLSA-N 1 0 380.452 2.945 20 0 GFADRO Cc1ccccc1C[C@H](C)NC(=O)C[NH2+][C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000826307147 608460308 /nfs/dbraw/zinc/46/03/08/608460308.db2.gz XOKZULOLXQUNPZ-JKSUJKDBSA-N 1 0 378.480 2.573 20 0 GFADRO COc1cc([C@@H](C)[NH2+][C@@H](C)c2ccc(-c3nn[nH]n3)cc2)ccc1OCCO ZINC000826177284 608470771 /nfs/dbraw/zinc/47/07/71/608470771.db2.gz BKMZKJGAVYGKJC-UONOGXRCSA-N 1 0 383.452 2.658 20 0 GFADRO C[C@@H]([NH2+]CCOc1cccc(-c2nn[nH]n2)c1)c1cccc(N2CCOC2=O)c1 ZINC000824598804 608474194 /nfs/dbraw/zinc/47/41/94/608474194.db2.gz JHSBBSDFCHFGRN-CQSZACIVSA-N 1 0 394.435 2.553 20 0 GFADRO C[C@@H]([NH2+][C@@H](C)c1cccc(O)c1)C(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2 ZINC000824529116 608476003 /nfs/dbraw/zinc/47/60/03/608476003.db2.gz DVPKHHZLPYUCON-WDEREUQCSA-N 1 0 398.492 2.800 20 0 GFADRO COc1cc(C[NH2+][C@H]2CCCc3cc(-c4nn[nH]n4)ccc32)cc(OC)c1O ZINC000826179500 608506932 /nfs/dbraw/zinc/50/69/32/608506932.db2.gz QPKNZWYMQPKOMD-INIZCTEOSA-N 1 0 381.436 2.757 20 0 GFADRO c1c2ccccc2sc1C[NH+]1CCN(c2ncccc2-c2nn[nH]n2)CC1 ZINC000826525249 608509911 /nfs/dbraw/zinc/50/99/11/608509911.db2.gz CFMZENCDGPBABR-UHFFFAOYSA-N 1 0 377.477 2.799 20 0 GFADRO c1nc2ccc(-c3nn[nH]n3)cn2c1C[NH+]1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000826522689 608511861 /nfs/dbraw/zinc/51/18/61/608511861.db2.gz KOCQIWRVVXWHQZ-UHFFFAOYSA-N 1 0 399.462 2.770 20 0 GFADRO c1cc2c(cc1-c1nn[nH]n1)CCC[C@@H]2[NH2+]CC1(N2CCCCC2)CCOCC1 ZINC000826518057 608520545 /nfs/dbraw/zinc/52/05/45/608520545.db2.gz AIHUMRLQAZEFTO-FQEVSTJZSA-N 1 0 396.539 2.869 20 0 GFADRO COc1cc(-c2nn[nH]n2)ccc1OCC[NH2+][C@@H](C)c1ccc(F)cc1F ZINC000826176271 608527969 /nfs/dbraw/zinc/52/79/69/608527969.db2.gz IENCGTPRTWGJGV-NSHDSACASA-N 1 0 375.379 2.883 20 0 GFADRO Cc1ccc(C)c(OC[C@H](O)C[NH2+]C2(c3cccc(-c4nn[nH]n4)c3)CC2)c1C ZINC000826284669 608528117 /nfs/dbraw/zinc/52/81/17/608528117.db2.gz AVDBTMRUAPVLRH-LJQANCHMSA-N 1 0 393.491 2.811 20 0 GFADRO C[C@@H]1CCc2ccccc2N1C(=O)C[NH2+]C1(c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000824969021 608532381 /nfs/dbraw/zinc/53/23/81/608532381.db2.gz SEQLPRDYBDWQPP-OAHLLOKOSA-N 1 0 388.475 2.813 20 0 GFADRO Cc1ccc(OC[C@H](O)C[NH2+]C2(c3cccc(-c4nn[nH]n4)c3)CC2)c(C)c1 ZINC000826291958 608533941 /nfs/dbraw/zinc/53/39/41/608533941.db2.gz CKQWYBNZTVBZQJ-GOSISDBHSA-N 1 0 379.464 2.502 20 0 GFADRO CC(C)([NH2+]CCC(=O)Nc1ccc(-c2nn[nH]n2)cc1)c1ccc(F)c(F)c1 ZINC000824167695 608550719 /nfs/dbraw/zinc/55/07/19/608550719.db2.gz SDRGIXWUOFTZBE-UHFFFAOYSA-N 1 0 386.406 2.998 20 0 GFADRO C[C@H]([NH2+]C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1)c1cccc(N2CCCC2)c1 ZINC000824569640 608554539 /nfs/dbraw/zinc/55/45/39/608554539.db2.gz JJVRLUBKNWARAR-MGPUTAFESA-N 1 0 378.480 2.851 20 0 GFADRO COC(=O)C(C)(C)[C@@H]([NH2+]CCOc1cccc(-c2nn[nH]n2)c1)c1ccccc1 ZINC000826099141 608555152 /nfs/dbraw/zinc/55/51/52/608555152.db2.gz ZIWPSYPKBJZAQO-SFHVURJKSA-N 1 0 395.463 2.776 20 0 GFADRO Fc1cccc(N2CC[NH+](C[C@@H]3CCOc4ccccc43)CC2)c1-c1nn[nH]n1 ZINC000826377422 608596323 /nfs/dbraw/zinc/59/63/23/608596323.db2.gz RLZKQNXJVQHDCZ-HNNXBMFYSA-N 1 0 394.454 2.694 20 0 GFADRO CC(C)(C)OC(=O)NC[C@@](C)([NH2+]Cc1cccc(-c2nn[nH]n2)c1F)C1CC1 ZINC000824109645 608652442 /nfs/dbraw/zinc/65/24/42/608652442.db2.gz UUKBZWHRRHGOST-LJQANCHMSA-N 1 0 390.463 2.789 20 0 GFADRO c1cc(-c2nn[nH]n2)sc1C[NH+]1CCC(c2nc(-c3ccccn3)no2)CC1 ZINC000826519506 608658603 /nfs/dbraw/zinc/65/86/03/608658603.db2.gz BDFPQYDHCPGDDP-UHFFFAOYSA-N 1 0 394.464 2.753 20 0 GFADRO COc1ccc(C[NH+]2CCC(Oc3ccc(-c4nn[nH]n4)cc3)CC2)c(OC)c1 ZINC000826194259 608680896 /nfs/dbraw/zinc/68/08/96/608680896.db2.gz HBKAJVKSGDZPBW-UHFFFAOYSA-N 1 0 395.463 2.927 20 0 GFADRO CC[C@H]1C[N@H+](Cc2cccc(OCc3cccc(-c4nn[nH]n4)c3)c2)C[C@H]1O ZINC000825211975 608849389 /nfs/dbraw/zinc/84/93/89/608849389.db2.gz PGBUNOVVMLEJCS-FXAWDEMLSA-N 1 0 379.464 2.648 20 0 GFADRO CC[C@@H]1C[N@H+](Cc2cccc(OCc3ccccc3-c3nn[nH]n3)c2)C[C@H]1O ZINC000825210507 608849786 /nfs/dbraw/zinc/84/97/86/608849786.db2.gz HPYDVPBVGXRVNY-OXQOHEQNSA-N 1 0 379.464 2.648 20 0 GFADRO c1ccc2c(c1)OCC[C@@H]2C[N@@H+]1CCO[C@H](c2cccc(-c3nn[nH]n3)c2)C1 ZINC000826513691 608852188 /nfs/dbraw/zinc/85/21/88/608852188.db2.gz SUJIDFKLTIBMDX-XLIONFOSSA-N 1 0 377.448 2.806 20 0 GFADRO C[C@@H]([NH2+][C@H]1CC(=O)N(c2c(F)cccc2F)C1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824537432 608884804 /nfs/dbraw/zinc/88/48/04/608884804.db2.gz DZHMEANZVLYCBS-RISCZKNCSA-N 1 0 384.390 2.601 20 0 GFADRO C[C@H]([NH2+][C@H](CC(=O)N(C)C)c1ccccc1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824528815 609134861 /nfs/dbraw/zinc/13/48/61/609134861.db2.gz CMBNJJNWHCKUPI-SCLBCKFNSA-N 1 0 382.443 2.876 20 0 GFADRO CCN(CC[NH2+][C@H](C)c1ccc(-c2nn[nH]n2)c(F)c1)C(=O)OC(C)(C)C ZINC000825424522 609140262 /nfs/dbraw/zinc/14/02/62/609140262.db2.gz JJVKUXGTEOGWBL-GFCCVEGCSA-N 1 0 378.452 2.913 20 0 GFADRO C[C@H]([NH2+][C@@H](CO)Cc1c[nH]c2ccccc12)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824531660 609144017 /nfs/dbraw/zinc/14/40/17/609144017.db2.gz PVQQHZZDEJDTNV-SWLSCSKDSA-N 1 0 380.427 2.741 20 0 GFADRO C[C@@H]1CC[C@H](C(F)(F)F)C[N@@H+]1CCC(=O)Nc1sccc1-c1nn[nH]n1 ZINC000824906723 609148638 /nfs/dbraw/zinc/14/86/38/609148638.db2.gz DGXSGYXICFMWPZ-ZJUUUORDSA-N 1 0 388.419 2.920 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCCN(c2ccccc2F)C1=O)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824548755 609154449 /nfs/dbraw/zinc/15/44/49/609154449.db2.gz ZHGCFZKFNFEBIB-YVEFUNNKSA-N 1 0 398.417 2.991 20 0 GFADRO Cc1ccc([C@H](C)[NH2+][C@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)c(C)n1 ZINC000826283353 609167926 /nfs/dbraw/zinc/16/79/26/609167926.db2.gz OYSXBNQZGBUYOU-KXBFYZLASA-N 1 0 391.479 2.725 20 0 GFADRO C[C@@H](CSC(C)(C)C)[NH2+][C@@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000824450063 609169880 /nfs/dbraw/zinc/16/98/80/609169880.db2.gz RKPXCSRIQWJUTO-XJKSGUPXSA-N 1 0 388.541 2.872 20 0 GFADRO CC(C)C[C@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)[NH2+][C@@H](C)c1ccccc1 ZINC000824235848 609211010 /nfs/dbraw/zinc/21/10/10/609211010.db2.gz KYSPJBDCHGMDPI-WMLDXEAASA-N 1 0 381.484 2.690 20 0 GFADRO Cc1cc(N2CCC[C@@H]([NH2+][C@@H](C)c3cccc(-c4nn[nH]n4)c3)C2)nc(C)n1 ZINC000826269121 609232888 /nfs/dbraw/zinc/23/28/88/609232888.db2.gz AVTJKYRIIYVLIE-KBXCAEBGSA-N 1 0 378.484 2.593 20 0 GFADRO C[C@@H](NC(=O)CCc1ccc(-c2nn[nH]n2)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000824477639 609285144 /nfs/dbraw/zinc/28/51/44/609285144.db2.gz BHCJMUSZWFDKHJ-CRAIPNDOSA-N 1 0 382.512 2.569 20 0 GFADRO CC(C)CN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)N[C@H](C)C1=CC[N@H+](C)CC1 ZINC000824255617 609315676 /nfs/dbraw/zinc/31/56/76/609315676.db2.gz QCUCFNJFZHOYSX-MRXNPFEDSA-N 1 0 397.527 2.685 20 0 GFADRO C[C@H]([NH2+]C1CCN(C(=O)c2ccco2)CC1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824544996 609324575 /nfs/dbraw/zinc/32/45/75/609324575.db2.gz AVUOEAXSQVNNGJ-LBPRGKRZSA-N 1 0 384.415 2.554 20 0 GFADRO Cc1cccc(C)c1OC[C@H](O)C[NH2+][C@@H](C)c1ccc(-c2nn[nH]n2)cc1F ZINC000826296773 609329833 /nfs/dbraw/zinc/32/98/33/609329833.db2.gz IRRUKTGBHZVLPQ-GOEBONIOSA-N 1 0 385.443 2.713 20 0 GFADRO COc1ccc(C)cc1C[NH2+]Cc1cn(C)nc1-c1ccc(-c2nn[nH]n2)cc1 ZINC000826189845 609335568 /nfs/dbraw/zinc/33/55/68/609335568.db2.gz GZASQYQJIIIULG-UHFFFAOYSA-N 1 0 389.463 2.874 20 0 GFADRO Cn1cc(C[NH2+][C@@H]2CCOc3ccccc32)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826361199 609336158 /nfs/dbraw/zinc/33/61/58/609336158.db2.gz OVAPRYMVBQYIGN-GOSISDBHSA-N 1 0 387.447 2.881 20 0 GFADRO CCc1cc(N2CCC[C@@H]([NH2+][C@H](C)c3ccc(-c4nn[nH]n4)cc3F)C2)ncn1 ZINC000825700807 609341519 /nfs/dbraw/zinc/34/15/19/609341519.db2.gz UDYLRSKYZIYYCZ-CZUORRHYSA-N 1 0 396.474 2.678 20 0 GFADRO Cn1cc(C[NH2+]CC(C)(C)[C@H]2CCCCO2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826361160 609341729 /nfs/dbraw/zinc/34/17/29/609341729.db2.gz NRJXKIIPQFBLHB-GOSISDBHSA-N 1 0 395.511 2.952 20 0 GFADRO CCC1(CC)[C@H]([NH2+]Cc2cn(C)nc2-c2ccc(-c3nn[nH]n3)cc2)C[C@H]1OC ZINC000825171925 609342418 /nfs/dbraw/zinc/34/24/18/609342418.db2.gz WPTQHAGAYFPWKX-QZTJIDSGSA-N 1 0 395.511 2.951 20 0 GFADRO Cc1cc(N2CCC[C@H]([NH2+][C@H](C)c3ccc(-c4nn[nH]n4)cc3F)C2)nc(C)n1 ZINC000826269154 609348498 /nfs/dbraw/zinc/34/84/98/609348498.db2.gz BWJAVALZQFGPMR-CJNGLKHVSA-N 1 0 396.474 2.732 20 0 GFADRO C[C@H](NC(=O)Nc1ccc(F)cc1-c1nn[nH]n1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000824506489 609352473 /nfs/dbraw/zinc/35/24/73/609352473.db2.gz OZTYSUDVKVTXMD-QWHCGFSZSA-N 1 0 387.463 2.780 20 0 GFADRO O=C(NCC[NH+]1CCCCC1)c1ccccc1Oc1ccccc1-c1nn[nH]n1 ZINC000826437594 609374811 /nfs/dbraw/zinc/37/48/11/609374811.db2.gz SLSLSOKTHGPGCF-UHFFFAOYSA-N 1 0 392.463 2.875 20 0 GFADRO CN(C(=O)c1ccccc1Oc1ccccc1-c1nn[nH]n1)[C@@H]1CCC[N@H+](C)C1 ZINC000826028577 609386691 /nfs/dbraw/zinc/38/66/91/609386691.db2.gz CPOBUIRHEQAYFS-OAHLLOKOSA-N 1 0 392.463 2.825 20 0 GFADRO C[C@@H]([NH2+][C@@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O)c1ccccc1F ZINC000824546402 609412134 /nfs/dbraw/zinc/41/21/34/609412134.db2.gz ISHIUXUGKOXGAG-FZKQIMNGSA-N 1 0 380.427 2.852 20 0 GFADRO CCOc1ccc(C[NH2+][C@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)cc1 ZINC000825638149 609414194 /nfs/dbraw/zinc/41/41/94/609414194.db2.gz HJGPHWIDBWXODY-IBGZPJMESA-N 1 0 392.463 2.551 20 0 GFADRO C[C@@H](NC(=O)c1ccc(-c2nn[nH]n2)s1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000824514191 609456610 /nfs/dbraw/zinc/45/66/10/609456610.db2.gz MWPDSXDYKJVPDV-UKRRQHHQSA-N 1 0 382.493 2.569 20 0 GFADRO C[C@H](C(=O)N(CC[NH+](C)C)Cc1ccc(-c2nn[nH]n2)cc1)c1ccccc1 ZINC000826232021 609490672 /nfs/dbraw/zinc/49/06/72/609490672.db2.gz DWFRNAVUTVWBEU-INIZCTEOSA-N 1 0 378.480 2.561 20 0 GFADRO Cc1[nH+]c2ccccc2c(N2CCN(c3cc(-c4nn[nH]n4)ccn3)CC2)c1C ZINC000826329176 609530134 /nfs/dbraw/zinc/53/01/34/609530134.db2.gz SIYBULMNXXUDME-UHFFFAOYSA-N 1 0 386.463 2.753 20 0 GFADRO C[NH+](C)CCn1ccc(NC(=O)[C@@H]2C[C@@H]2c2cccc(Br)c2)n1 ZINC000522272271 650624542 /nfs/dbraw/zinc/62/45/42/650624542.db2.gz NWWXQHKSGAIMFT-HUUCEWRRSA-N 1 0 377.286 2.949 20 0 GFADRO C[NH+](C)CCNC(=O)Nc1nnc(-c2cccc(OC(F)(F)F)c2)s1 ZINC000490234743 650770484 /nfs/dbraw/zinc/77/04/84/650770484.db2.gz AVDOOIMOZNAIEM-UHFFFAOYSA-N 1 0 375.376 2.787 20 0 GFADRO CCS(=O)(=O)c1ccc2oc(=S)n(CN(C)C[C@H]3CCC[N@@H+]3C)c2c1 ZINC000817374278 660192361 /nfs/dbraw/zinc/19/23/61/660192361.db2.gz RDIRAMVKNNBOQS-CYBMUJFWSA-N 1 0 383.539 2.741 20 0 GFADRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)c1cnn(-c2ccccc2)c1Br ZINC000817490262 660198395 /nfs/dbraw/zinc/19/83/95/660198395.db2.gz BDOLEIGRIANSIY-AWEZNQCLSA-N 1 0 377.286 2.801 20 0 GFADRO CCOC(=O)[C@@H]1NCC[C@H]1[NH2+][C@H]1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000817900791 660211905 /nfs/dbraw/zinc/21/19/05/660211905.db2.gz RZFYEIHEWSFEDM-YBXAARCKSA-N 1 0 376.341 2.779 20 0 GFADRO O=C(NC[C@H](O)c1c(Cl)cccc1Cl)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000817948237 660212501 /nfs/dbraw/zinc/21/25/01/660212501.db2.gz GZHOVDMWWHKSQR-DOMZBBRYSA-N 1 0 383.279 2.578 20 0 GFADRO COc1cc([C@@H](C)NC[C@]2(C)CCC[NH2+]C2)ccc1S(=O)(=O)C(F)F ZINC000817966567 660212772 /nfs/dbraw/zinc/21/27/72/660212772.db2.gz QCMPYPFADBQQGO-SJKOYZFVSA-N 1 0 376.469 2.732 20 0 GFADRO CS(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H](CCC[NH3+])c2ccccc2)c1 ZINC000818005069 660213156 /nfs/dbraw/zinc/21/31/56/660213156.db2.gz MJUGPSLPNHVBJW-KRWDZBQOSA-N 1 0 380.897 2.954 20 0 GFADRO CC(C)(C)NS(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H](C[NH3+])C(C)(C)C)c1 ZINC000818006740 660213160 /nfs/dbraw/zinc/21/31/60/660213160.db2.gz JOUKLQIBLZONEB-AWEZNQCLSA-N 1 0 389.949 2.520 20 0 GFADRO [NH3+]CCc1ccc(CNC(=O)[C@H]2COc3ccc(Br)cc32)cc1 ZINC000818535574 660228099 /nfs/dbraw/zinc/22/80/99/660228099.db2.gz JDEDCWJBXMHPTF-INIZCTEOSA-N 1 0 375.266 2.743 20 0 GFADRO C/C(=C\C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccccc1Cl ZINC000818594558 660229429 /nfs/dbraw/zinc/22/94/29/660229429.db2.gz QTKGLJGQHMVSLV-HBIYDYFMSA-N 1 0 375.822 2.696 20 0 GFADRO O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1cc2c(cccc2F)s1 ZINC000818594063 660229452 /nfs/dbraw/zinc/22/94/52/660229452.db2.gz BCWYQASTQSRTES-CQSZACIVSA-N 1 0 375.391 2.606 20 0 GFADRO COCCOc1ccc(C[NH2+]C[C@@H](O)c2ccc(F)c(Br)c2)cn1 ZINC000818960873 660238258 /nfs/dbraw/zinc/23/82/58/660238258.db2.gz LEIKFVMJVNZOBX-MRXNPFEDSA-N 1 0 399.260 2.832 20 0 GFADRO COC(=O)N1CCC[C@@H]([NH2+]C[C@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000819001519 660242925 /nfs/dbraw/zinc/24/29/25/660242925.db2.gz DCPKGAOBKDYHOI-OLZOCXBDSA-N 1 0 377.268 2.554 20 0 GFADRO C[NH+](C)CCNC(=S)NCc1c(F)c(F)c(Br)c(F)c1F ZINC000819028616 660243924 /nfs/dbraw/zinc/24/39/24/660243924.db2.gz JOQWVDCNBOWJAC-UHFFFAOYSA-N 1 0 388.228 2.531 20 0 GFADRO O=S1(=O)CCc2cc(C[NH2+]C[C@@H](O)c3cccc(Br)c3)ccc21 ZINC000819151825 660248189 /nfs/dbraw/zinc/24/81/89/660248189.db2.gz FNHQHADLRGPNPJ-MRXNPFEDSA-N 1 0 396.306 2.602 20 0 GFADRO CCc1n[nH]c(=O)c(C[NH2+]C[C@H](O)c2ccccc2Br)c1CC ZINC000819163855 660248334 /nfs/dbraw/zinc/24/83/34/660248334.db2.gz UQEHCTLTEMRRIT-INIZCTEOSA-N 1 0 380.286 2.893 20 0 GFADRO CO[C@@]1(C[NH2+]C[C@@](C)(O)c2ccc(Br)cc2Cl)CCOC1 ZINC000819235127 660251206 /nfs/dbraw/zinc/25/12/06/660251206.db2.gz MSDQZDLDIMGUDV-HUUCEWRRSA-N 1 0 378.694 2.705 20 0 GFADRO Cc1cccc(C[NH2+]C[C@H](O)c2ccc(S(C)(=O)=O)cc2)c1Br ZINC000819257239 660252298 /nfs/dbraw/zinc/25/22/98/660252298.db2.gz UMYKMTZNYJGKHW-INIZCTEOSA-N 1 0 398.322 2.984 20 0 GFADRO Cc1cc(N2CCC[C@H]([NH2+]C[C@H](O)c3ccccc3Br)C2)n(C)n1 ZINC000819266908 660252975 /nfs/dbraw/zinc/25/29/75/660252975.db2.gz QBUJBZMFZKXVNG-YOEHRIQHSA-N 1 0 393.329 2.783 20 0 GFADRO Cn1ccnc1[C@@H]1C[C@H]([NH2+]C[C@@H](O)c2ccc(F)c(Br)c2)CCO1 ZINC000819362008 660257022 /nfs/dbraw/zinc/25/70/22/660257022.db2.gz SJRVOQDGVUMMHE-WQVCFCJDSA-N 1 0 398.276 2.865 20 0 GFADRO COC(=O)c1ccc(OC[C@H](O)C[NH2+]CC[C@@]2(C)CC2(Cl)Cl)cc1 ZINC000819348475 660256134 /nfs/dbraw/zinc/25/61/34/660256134.db2.gz GMOOYRNMCQEAFF-CJNGLKHVSA-N 1 0 376.280 2.777 20 0 GFADRO C[C@@](O)(C[NH2+]CC1(CC(N)=O)CC1)c1ccc(Br)cc1Cl ZINC000819376090 660257286 /nfs/dbraw/zinc/25/72/86/660257286.db2.gz WMDLVQAOFFCSRG-CQSZACIVSA-N 1 0 375.694 2.555 20 0 GFADRO C[C@H]1COCC[N@@H+]1C1CCN(C(=O)[C@H](O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000820124706 660282253 /nfs/dbraw/zinc/28/22/53/660282253.db2.gz FVLQZHBZZKQSEV-YVEFUNNKSA-N 1 0 387.307 2.739 20 0 GFADRO CN1CC[NH+](CC2CN(C(=O)C/C=C/c3ccc(Br)cc3)C2)CC1 ZINC000820496390 660295548 /nfs/dbraw/zinc/29/55/48/660295548.db2.gz YIOPVOQNUJATOR-NSCUHMNNSA-N 1 0 392.341 2.558 20 0 GFADRO O=C(c1csc(Br)n1)N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000820856653 660308713 /nfs/dbraw/zinc/30/87/13/660308713.db2.gz ZTZMVSKIEBVYAE-LBPRGKRZSA-N 1 0 388.331 2.623 20 0 GFADRO C[C@@H]1CN(Cc2nc(Cl)ccc2Br)CC[N@@H+]1CC(C)(C)O ZINC000820885686 660309315 /nfs/dbraw/zinc/30/93/15/660309315.db2.gz BKXRWWJMWMHPGX-LLVKDONJSA-N 1 0 376.726 2.775 20 0 GFADRO C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1cc(Br)c3nccnc3c1)C2 ZINC000821025443 660313515 /nfs/dbraw/zinc/31/35/15/660313515.db2.gz GREFDJVTNVCSNF-GOSISDBHSA-N 1 0 389.297 2.950 20 0 GFADRO Cc1cc([C@@H]([NH3+])Cc2nc(Cn3cc(Br)cn3)no2)cc(Cl)n1 ZINC000822841063 660355731 /nfs/dbraw/zinc/35/57/31/660355731.db2.gz FYJRDCDBMCOQQA-NSHDSACASA-N 1 0 397.664 2.676 20 0 GFADRO COc1ccc(Cc2noc(C[C@@H]3CC[NH2+]C3)n2)c(Br)c1OC ZINC000822947727 660358776 /nfs/dbraw/zinc/35/87/76/660358776.db2.gz ZMCUHWORSRQXLG-JTQLQIEISA-N 1 0 382.258 2.592 20 0 GFADRO COCC1(c2nc(-c3ccc(N(C)C)c(Br)c3)no2)CC[NH2+]CC1 ZINC000823259691 660366448 /nfs/dbraw/zinc/36/64/48/660366448.db2.gz PBJGFZPBRJGIBX-UHFFFAOYSA-N 1 0 395.301 2.833 20 0 GFADRO CCc1ccc(Br)cc1C(=O)N1CCOC2(CC[NH+](C)CC2)C1 ZINC000823674462 660378011 /nfs/dbraw/zinc/37/80/11/660378011.db2.gz XFAQBWAMIJWUOB-UHFFFAOYSA-N 1 0 381.314 2.948 20 0 GFADRO CC[C@H]1C[C@H]([NH2+]CCOc2ccc(S(=O)(=O)C(F)(F)F)cc2)CCO1 ZINC000824032569 660384237 /nfs/dbraw/zinc/38/42/37/660384237.db2.gz UISNNWNPHYDBNI-OLZOCXBDSA-N 1 0 381.416 2.906 20 0 GFADRO CC[C@@H]1C[C@H]([NH2+]CCOc2ccc(S(=O)(=O)C(F)(F)F)cc2)CCO1 ZINC000824032568 660384282 /nfs/dbraw/zinc/38/42/82/660384282.db2.gz UISNNWNPHYDBNI-CHWSQXEVSA-N 1 0 381.416 2.906 20 0 GFADRO CS(=O)(=O)c1cccc(C[NH2+]C[C@H](O)c2cccc(Br)c2)c1 ZINC000823990076 660383743 /nfs/dbraw/zinc/38/37/43/660383743.db2.gz IBHDFDFQJCMLHZ-INIZCTEOSA-N 1 0 384.295 2.676 20 0 GFADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)Nc1cc(Cl)ccc1OC(F)F ZINC000824421309 660391572 /nfs/dbraw/zinc/39/15/72/660391572.db2.gz LZYMIQFHXQPZPD-RYUDHWBXSA-N 1 0 375.803 2.926 20 0 GFADRO C[C@H](C[C@@H](C)[NH2+]C1CCC(CS(C)(=O)=O)CC1)NC(=O)OC(C)(C)C ZINC000824533539 660396246 /nfs/dbraw/zinc/39/62/46/660396246.db2.gz HDLPLMRFBVSEEA-WXLSXGNJSA-N 1 0 376.563 2.871 20 0 GFADRO C[N@@H+](Cc1csc(Br)c1)C[C@H](O)CNC(=O)OC(C)(C)C ZINC000824565661 660397233 /nfs/dbraw/zinc/39/72/33/660397233.db2.gz ZUENAPIIMGSRMC-LLVKDONJSA-N 1 0 379.320 2.828 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)C[C@@H]2C(=O)Nc3ccc(Br)cc32)C1 ZINC000824773308 660401577 /nfs/dbraw/zinc/40/15/77/660401577.db2.gz OJCSKCNSRRMHKG-OCCSQVGLSA-N 1 0 394.313 2.864 20 0 GFADRO Cc1ccc(Br)c(C(=O)NC2CC[NH+](C3CCOCC3)CC2)n1 ZINC000824879604 660403786 /nfs/dbraw/zinc/40/37/86/660403786.db2.gz RBTYQSZYZNEITD-UHFFFAOYSA-N 1 0 382.302 2.526 20 0 GFADRO C[N@@H+]1CC[C@@H](CCOC(=O)c2cccc(F)c2I)C1 ZINC000847823622 661611784 /nfs/dbraw/zinc/61/17/84/661611784.db2.gz NBTDCHOTYHCHMU-JTQLQIEISA-N 1 0 377.197 2.929 20 0 GFADRO COC(=O)c1cc(C[N@H+](C)C[C@@H](O)c2ccccc2Br)cn1C ZINC000825306052 660419725 /nfs/dbraw/zinc/41/97/25/660419725.db2.gz YZBPBRKTRVCRAU-MRXNPFEDSA-N 1 0 381.270 2.740 20 0 GFADRO C[N@@H+]1CC[C@@H](CC(=O)Nc2ccc(N3CC[C@@H](CO)C3)c(Br)c2)C1 ZINC000825298636 660419289 /nfs/dbraw/zinc/41/92/89/660419289.db2.gz WTEFENMYODMRGT-UONOGXRCSA-N 1 0 396.329 2.548 20 0 GFADRO C[N@@H+]1CC[C@H](CC(=O)Nc2ccc(N3CC[C@H](CO)C3)c(Br)c2)C1 ZINC000825298635 660419299 /nfs/dbraw/zinc/41/92/99/660419299.db2.gz WTEFENMYODMRGT-KGLIPLIRSA-N 1 0 396.329 2.548 20 0 GFADRO Cc1cc(C)n2c(C[NH2+]C[C@H](O)c3ccccc3Br)cnc2n1 ZINC000825342764 660421785 /nfs/dbraw/zinc/42/17/85/660421785.db2.gz GHWDLWUDJNLOAL-INIZCTEOSA-N 1 0 375.270 2.932 20 0 GFADRO COC(=O)[C@@H](c1ccc(Br)s1)N(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC000825381287 660423970 /nfs/dbraw/zinc/42/39/70/660423970.db2.gz MCIQQLKPCBPESE-QMTHXVAHSA-N 1 0 389.315 2.525 20 0 GFADRO C[C@H]1CCC[C@@](CNC(=O)c2c(Br)nc3n2CCC3)([NH+](C)C)C1 ZINC000825384773 660424216 /nfs/dbraw/zinc/42/42/16/660424216.db2.gz VFLNVAZXXWOHEE-YVEFUNNKSA-N 1 0 383.334 2.832 20 0 GFADRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2cc(Br)n(C)n2)C1 ZINC000825390023 660424830 /nfs/dbraw/zinc/42/48/30/660424830.db2.gz XMQFVRJEFVQOOG-JSGCOSHPSA-N 1 0 377.286 2.748 20 0 GFADRO CN1Cc2ccccc2[C@H]1CNC(=O)c1csc(I)n1 ZINC000826688138 660461333 /nfs/dbraw/zinc/46/13/33/660461333.db2.gz CNPNTHVCSPIWJJ-GFCCVEGCSA-N 1 0 399.257 2.664 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(C(=O)C[C@H]3Sc4ccc(Cl)cc4NC3=O)CC[C@@H]21 ZINC000827356223 660491043 /nfs/dbraw/zinc/49/10/43/660491043.db2.gz MPDUUWHTSORRAT-DIOULYMOSA-N 1 0 379.913 2.696 20 0 GFADRO COc1cc(Br)c(C(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)cc1OC ZINC000827256783 660486595 /nfs/dbraw/zinc/48/65/95/660486595.db2.gz XTPMMHOKPRPMSY-SMDDNHRTSA-N 1 0 383.286 2.633 20 0 GFADRO Cc1csc(C(=O)N2CC[C@H]3[C@H](CC[N@H+]3C)C2)c1I ZINC000827277212 660487611 /nfs/dbraw/zinc/48/76/11/660487611.db2.gz JAZMGNFEWLYIHP-MNOVXSKESA-N 1 0 390.290 2.827 20 0 GFADRO C[C@@H](CNC(=O)c1cccc(SC(F)(F)F)c1)C[NH+]1CCN(C)CC1 ZINC000827537406 660501276 /nfs/dbraw/zinc/50/12/76/660501276.db2.gz APYQZLRJFZNTBP-ZDUSSCGKSA-N 1 0 375.460 2.912 20 0 GFADRO Cn1c(C(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3C)cc2cc(Br)cnc21 ZINC000828958887 660576768 /nfs/dbraw/zinc/57/67/68/660576768.db2.gz JRUANZCUSPCGPE-KBPBESRZSA-N 1 0 377.286 2.645 20 0 GFADRO CC[NH+](CC)[C@@H]1CCN(C(=O)[C@@]2(C)CC2(Br)Br)C1 ZINC000829201459 660585169 /nfs/dbraw/zinc/58/51/69/660585169.db2.gz LXAAEZCHBHRJNQ-ZYHUDNBSSA-N 1 0 382.140 2.825 20 0 GFADRO COc1cc(C(=O)N(C)CC[NH+]2CC3(C2)CCOCC3)ccc1Br ZINC000829221721 660585907 /nfs/dbraw/zinc/58/59/07/660585907.db2.gz PLQVQYODNSEXLX-UHFFFAOYSA-N 1 0 397.313 2.642 20 0 GFADRO Cc1ccc(Br)cc1C(=O)N(C)CC[NH+]1CC2(C1)CCOCC2 ZINC000829266041 660587079 /nfs/dbraw/zinc/58/70/79/660587079.db2.gz DJPQFSZCAVBNBX-UHFFFAOYSA-N 1 0 381.314 2.942 20 0 GFADRO CN(CC[NH+]1CC2(C1)CCOCC2)C(=O)COc1c(Cl)cccc1Cl ZINC000829293843 660588042 /nfs/dbraw/zinc/58/80/42/660588042.db2.gz VEUYIPYVWSLXMZ-UHFFFAOYSA-N 1 0 387.307 2.943 20 0 GFADRO C[C@H]1C[C@H](c2ccc(Br)cc2)C[N@@H+]1Cc1nc(N)nc(N(C)C)n1 ZINC000626040908 652381014 /nfs/dbraw/zinc/38/10/14/652381014.db2.gz NQPDOKJIZGLCAL-AAEUAGOBSA-N 1 0 391.317 2.660 20 0 GFADRO OCC[C@@H]([NH2+]Cc1cccc(F)c1I)C1CCOCC1 ZINC000873107321 662799964 /nfs/dbraw/zinc/79/99/64/662799964.db2.gz NNTKEIKVPIXHTP-CQSZACIVSA-N 1 0 393.240 2.698 20 0 GFADRO C[C@H](CNS(=O)(=O)c1cnc(Cl)c(Br)c1)[NH+]1CCCCC1 ZINC000830134895 660637709 /nfs/dbraw/zinc/63/77/09/660637709.db2.gz ZZBKRXPDWPMEIA-SNVBAGLBSA-N 1 0 396.738 2.650 20 0 GFADRO CC[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2cnc(Cl)c(Br)c2)C1 ZINC000830322178 660648365 /nfs/dbraw/zinc/64/83/65/660648365.db2.gz QBFKOTPNIDWOQV-JTQLQIEISA-N 1 0 396.738 2.508 20 0 GFADRO CN(C)C(=O)O[C@@H]1CC[N@H+](C[C@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000830488528 660659118 /nfs/dbraw/zinc/65/91/18/660659118.db2.gz WVKUKJBIFZIXKF-NWDGAFQWSA-N 1 0 377.268 2.506 20 0 GFADRO C[S@@](=O)CC[N@@H+]1CC[C@@H](Cc2cccc(I)c2)C1 ZINC000830515362 660660906 /nfs/dbraw/zinc/66/09/06/660660906.db2.gz VFGMEFYVCGLJII-SCLBCKFNSA-N 1 0 377.291 2.534 20 0 GFADRO [NH3+]CCCCCCNC(=O)N1CCN(Cc2ccc(Br)cc2)CC1 ZINC000831267728 660706854 /nfs/dbraw/zinc/70/68/54/660706854.db2.gz PJCBANKIBTYVFN-UHFFFAOYSA-N 1 0 397.361 2.795 20 0 GFADRO O=C(CC[C@@H]1CC1(Cl)Cl)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000831349865 660708715 /nfs/dbraw/zinc/70/87/15/660708715.db2.gz GAVMNMTXJQCTBB-BRWVUGGUSA-N 1 0 385.335 2.960 20 0 GFADRO CC(C)[NH+]1CCN(c2cccc(NC(=O)c3cc(Br)[nH]n3)c2)CC1 ZINC000831531583 660712024 /nfs/dbraw/zinc/71/20/24/660712024.db2.gz ZAEMRYQPVYRGAT-UHFFFAOYSA-N 1 0 392.301 2.955 20 0 GFADRO O=C(N1C[C@@H]2CC[N@@H+](C[C@@H](O)c3ccc(Cl)cc3)C[C@H]2C1)C(F)(F)F ZINC000831572639 660713274 /nfs/dbraw/zinc/71/32/74/660713274.db2.gz WHKMKXNIZIPROS-KCQAQPDRSA-N 1 0 376.806 2.716 20 0 GFADRO CCO[C@@H](CNC(=O)c1c(Cl)cc(F)cc1Br)C[NH+](C)C ZINC000831713173 660721316 /nfs/dbraw/zinc/72/13/16/660721316.db2.gz JJSMJKARPOCOEE-JTQLQIEISA-N 1 0 381.673 2.938 20 0 GFADRO [NH3+][C@H](CC(=O)NCc1ccc(I)c(Cl)c1)C1CC1 ZINC000832008363 660744531 /nfs/dbraw/zinc/74/45/31/660744531.db2.gz CEBGYBIKEVJWCJ-GFCCVEGCSA-N 1 0 378.641 2.688 20 0 GFADRO CC(C)[N@@H+]1CCC[C@H](NC(=O)[C@]2(C)CC2(Br)Br)C1 ZINC000832295699 660771774 /nfs/dbraw/zinc/77/17/74/660771774.db2.gz FSBGKCFKKGGHKR-JQWIXIFHSA-N 1 0 382.140 2.872 20 0 GFADRO [NH3+]C[C@H]1CCN(C(=O)c2cnn(-c3ncccc3Cl)c2C(F)(F)Cl)C1 ZINC000832549600 660785538 /nfs/dbraw/zinc/78/55/38/660785538.db2.gz XUMDGUWMAZNIEK-SECBINFHSA-N 1 0 390.221 2.630 20 0 GFADRO Cc1nn(C)c(Cl)c1S(=O)(=O)N1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000832574676 660787210 /nfs/dbraw/zinc/78/72/10/660787210.db2.gz ODQKOEDYQULHNE-UHFFFAOYSA-N 1 0 390.981 2.903 20 0 GFADRO C[N@H+](CCC(=O)Nc1cccnc1)C[C@H](O)c1ccccc1Br ZINC000832681166 660794951 /nfs/dbraw/zinc/79/49/51/660794951.db2.gz ZXSIFXYJAOGWPK-INIZCTEOSA-N 1 0 378.270 2.838 20 0 GFADRO CCCC[C@H](C[NH3+])NC(=O)Cc1csc(NC(=O)Cc2cccs2)n1 ZINC000834312800 660813814 /nfs/dbraw/zinc/81/38/14/660813814.db2.gz ISQWJPGZCIYTNJ-GFCCVEGCSA-N 1 0 380.539 2.562 20 0 GFADRO C[C@H]([NH2+]CCCc1cnn(C)n1)c1ccc(F)c(I)c1 ZINC000834810220 660833747 /nfs/dbraw/zinc/83/37/47/660833747.db2.gz ADCJWVZHHAEZTL-JTQLQIEISA-N 1 0 388.228 2.842 20 0 GFADRO C[C@@H]([NH3+])[C@@H](C)NC(=O)c1cnn(-c2ncccc2Cl)c1C(F)(F)Cl ZINC000834821363 660834114 /nfs/dbraw/zinc/83/41/14/660834114.db2.gz OMMXCPUNWDTZJJ-HTQZYQBOSA-N 1 0 378.210 2.674 20 0 GFADRO COc1c(C)cc([C@@H](C)[NH2+]CCS(=O)(=O)C2CCOCC2)cc1Cl ZINC000834890344 660837041 /nfs/dbraw/zinc/83/70/41/660837041.db2.gz MPUPHCVHTJTSSF-CYBMUJFWSA-N 1 0 375.918 2.901 20 0 GFADRO C[C@@H](CC(C)(C)C)[NH2+][C@@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000834909087 660837538 /nfs/dbraw/zinc/83/75/38/660837538.db2.gz KRQWPRDMZCJWOZ-KBPBESRZSA-N 1 0 390.571 2.888 20 0 GFADRO CC[C@H]([NH2+]CCS(=O)(=O)C(C)(C)C)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000834646071 660828660 /nfs/dbraw/zinc/82/86/60/660828660.db2.gz WDEKFIVGLGNLDK-GJZGRUSLSA-N 1 0 376.563 2.967 20 0 GFADRO CN1CCC([NH+]2CCC(NC(=O)NCC[C@@]3(C)CC3(Cl)Cl)CC2)CC1 ZINC000836278090 660898045 /nfs/dbraw/zinc/89/80/45/660898045.db2.gz IQRADXFOUQLJOL-KRWDZBQOSA-N 1 0 391.387 2.818 20 0 GFADRO CC[N@@H+]1CCCC[C@H]1CNC(=O)NC[C@@H](O)c1ccccc1Br ZINC000836296125 660898536 /nfs/dbraw/zinc/89/85/36/660898536.db2.gz YQWSVMSIFNFNJM-XJKSGUPXSA-N 1 0 384.318 2.656 20 0 GFADRO Cc1c(Br)nccc1NC(=O)N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC000836681837 660928307 /nfs/dbraw/zinc/92/83/07/660928307.db2.gz PPVPBXOSZPJXFR-GFCCVEGCSA-N 1 0 397.317 2.870 20 0 GFADRO C[NH+](C)CCn1nccc1NC(=O)N1Cc2ccc(Br)cc2C1 ZINC000836700943 660933566 /nfs/dbraw/zinc/93/35/66/660933566.db2.gz XUXBWXVPPXCOIS-UHFFFAOYSA-N 1 0 378.274 2.755 20 0 GFADRO C[NH+](C)CCCC(C)(C)NC(=O)c1ccc(CS(=O)(=O)C(F)F)cc1 ZINC000836854765 660950291 /nfs/dbraw/zinc/95/02/91/660950291.db2.gz CIIZCLHIWBWKSR-UHFFFAOYSA-N 1 0 376.469 2.674 20 0 GFADRO C[C@@H]1CN(C(=O)CCSc2nc3ccccc3s2)C[C@H](C)[N@H+]1CCO ZINC000836865093 660951430 /nfs/dbraw/zinc/95/14/30/660951430.db2.gz DJVHKLSMRXRJOY-OKILXGFUSA-N 1 0 379.551 2.692 20 0 GFADRO O=C(CCNC(=O)c1ccc(Br)cc1)NCCC[NH+]1CCCCC1 ZINC000008278946 654482301 /nfs/dbraw/zinc/48/23/01/654482301.db2.gz PXLRMPCDGRYYPV-UHFFFAOYSA-N 1 0 396.329 2.561 20 0 GFADRO O=S(=O)(NC1CC[NH+](CCc2ccccc2)CC1)c1ccc(Cl)nc1 ZINC000030380647 654586657 /nfs/dbraw/zinc/58/66/57/654586657.db2.gz RMRDEKBCVDVHLX-UHFFFAOYSA-N 1 0 379.913 2.720 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CNC(=S)NCCNc1ncc(Cl)cc1Cl ZINC000044159735 654654658 /nfs/dbraw/zinc/65/46/58/654654658.db2.gz BVOCYKGUPZNLQL-LBPRGKRZSA-N 1 0 376.357 2.749 20 0 GFADRO CC(C)[N@H+](C)CCCNC(=O)CCNC(=O)Nc1ccc(Br)cc1 ZINC000044518928 654659033 /nfs/dbraw/zinc/65/90/33/654659033.db2.gz NLCBAFBXPIHRIS-UHFFFAOYSA-N 1 0 399.333 2.807 20 0 GFADRO C[NH+](C)Cc1ccccc1CNC(=O)c1c(Br)nc2n1CCCC2 ZINC000837316573 660985809 /nfs/dbraw/zinc/98/58/09/660985809.db2.gz HQLSDZPOLUNKRT-UHFFFAOYSA-N 1 0 391.313 2.974 20 0 GFADRO C[NH+]1CCN(c2ccc(NC(=O)c3cc(F)cc(Br)c3)cn2)CC1 ZINC000047073727 654690409 /nfs/dbraw/zinc/69/04/09/654690409.db2.gz IEJGKKUQOYTSOH-UHFFFAOYSA-N 1 0 393.260 2.987 20 0 GFADRO COc1ccc(C(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)cc1Br ZINC000047433767 654694789 /nfs/dbraw/zinc/69/47/89/654694789.db2.gz JAJATINZMADOLF-CHWSQXEVSA-N 1 0 385.302 2.687 20 0 GFADRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1c(Br)nc2n1CCCC2 ZINC000837362742 660989150 /nfs/dbraw/zinc/98/91/50/660989150.db2.gz LBEXMDKNXSXHQK-QWHCGFSZSA-N 1 0 383.334 2.832 20 0 GFADRO C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000048237931 654704051 /nfs/dbraw/zinc/70/40/51/654704051.db2.gz SMNXFQRFJOYRFK-NILFDRSVSA-N 1 0 384.307 2.855 20 0 GFADRO CC[NH+]1CCC(CNC(=O)/C=C/c2ccc(I)o2)CC1 ZINC000049377614 654715405 /nfs/dbraw/zinc/71/54/05/654715405.db2.gz YRJPLUFIOQNKGH-GQCTYLIASA-N 1 0 388.249 2.746 20 0 GFADRO C[C@H](C[NH+]1CCCCC1)NC(=O)N(C)C[C@@H](O)c1ccccc1Br ZINC000837531567 661003845 /nfs/dbraw/zinc/00/38/45/661003845.db2.gz OPBXWBMURRWBGN-RHSMWYFYSA-N 1 0 398.345 2.998 20 0 GFADRO CC[N@H+](CC(=O)N1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1)C1CC1 ZINC000051688482 654727615 /nfs/dbraw/zinc/72/76/15/654727615.db2.gz JCBPLPZWLQVODF-UHFFFAOYSA-N 1 0 384.307 2.762 20 0 GFADRO CCN(CC)C(=O)C[N@@H+]1CCCN(Cc2cccc(Br)c2)CC1 ZINC000051707905 654727871 /nfs/dbraw/zinc/72/78/71/654727871.db2.gz STVPOUBJCWIMIO-UHFFFAOYSA-N 1 0 382.346 2.825 20 0 GFADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)COc2cc(Cl)ccc2Cl)CC1 ZINC000122292841 654732601 /nfs/dbraw/zinc/73/26/01/654732601.db2.gz BKSKFMDEROUEJF-AWEZNQCLSA-N 1 0 388.339 2.762 20 0 GFADRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)Cc2cccc(I)c2)C1 ZINC000122874026 654745347 /nfs/dbraw/zinc/74/53/47/654745347.db2.gz GXTZHWQBOSZXSE-CABCVRRESA-N 1 0 386.277 2.823 20 0 GFADRO O=C(NCC[NH+]1CCCCC1)[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000053514637 654748297 /nfs/dbraw/zinc/74/82/97/654748297.db2.gz OMPAELSQYDJANZ-CQSZACIVSA-N 1 0 384.307 2.948 20 0 GFADRO CC[NH+]1CCN([C@H](C)CNC(=O)c2cc(C)cc(C)c2Br)CC1 ZINC000123005998 654750025 /nfs/dbraw/zinc/75/00/25/654750025.db2.gz QZHWALOKNJPWTF-OAHLLOKOSA-N 1 0 382.346 2.822 20 0 GFADRO C[C@H]1C[C@H](NC(=O)NCCOc2ccc(Br)cc2)C[N@@H+]1C1CC1 ZINC000123199197 654753021 /nfs/dbraw/zinc/75/30/21/654753021.db2.gz HTMODLAPBFLWEM-JSGCOSHPSA-N 1 0 382.302 2.752 20 0 GFADRO C[NH+](C)CC1CCC(NC(=O)c2c(Br)nc3n2CCCC3)CC1 ZINC000837490200 661001394 /nfs/dbraw/zinc/00/13/94/661001394.db2.gz JIOVCWWKVFYUFJ-UHFFFAOYSA-N 1 0 383.334 2.832 20 0 GFADRO C[C@@H](C[NH+]1CCCCC1)NC(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000124321519 654774387 /nfs/dbraw/zinc/77/43/87/654774387.db2.gz VGLXRGPHGSNNQW-LBPRGKRZSA-N 1 0 375.441 2.679 20 0 GFADRO O=C(CC[N@@H+]1CCCC[C@@H]1[C@H]1CNC(=O)C1)Nc1ccc(Br)cc1 ZINC000125042180 654787124 /nfs/dbraw/zinc/78/71/24/654787124.db2.gz APVGEZOYXYJMFG-CZUORRHYSA-N 1 0 394.313 2.768 20 0 GFADRO C[C@@H](CC[S@](C)=O)[NH2+]Cc1cc(Br)c2c(c1)OCCCO2 ZINC000125456245 654795144 /nfs/dbraw/zinc/79/51/44/654795144.db2.gz SFFBPZYNLWFZEV-WIUDPPPLSA-N 1 0 376.316 2.857 20 0 GFADRO CC[NH+]1CCC(NC(=O)NCCC(=O)Nc2ccc(Br)cc2)CC1 ZINC000057198377 654802892 /nfs/dbraw/zinc/80/28/92/654802892.db2.gz OANWMTFARVHGIE-UHFFFAOYSA-N 1 0 397.317 2.561 20 0 GFADRO C[C@H]1CN(C(=O)c2c(Br)nc3n2CCCC3)CC[N@@H+](C2CCC2)C1 ZINC000837665326 661010499 /nfs/dbraw/zinc/01/04/99/661010499.db2.gz GQRMYPUDXPFENZ-CYBMUJFWSA-N 1 0 395.345 2.928 20 0 GFADRO C[C@H](C(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1)c1ccc(Br)cc1 ZINC000126607173 654816201 /nfs/dbraw/zinc/81/62/01/654816201.db2.gz JWWJKINZPCZWIU-WMLDXEAASA-N 1 0 383.330 2.762 20 0 GFADRO CC[NH+]1CCN(CCCNC(=O)C2(c3cccc(Br)c3)CC2)CC1 ZINC000058776071 654822367 /nfs/dbraw/zinc/82/23/67/654822367.db2.gz CTKPFRATLUJMSJ-UHFFFAOYSA-N 1 0 394.357 2.625 20 0 GFADRO C[C@H](CNC(=O)C(=O)Nc1cccc(C2SCCS2)c1)[NH+]1CCCC1 ZINC000062110652 654843768 /nfs/dbraw/zinc/84/37/68/654843768.db2.gz DZJFZDIDPVXRKA-CYBMUJFWSA-N 1 0 379.551 2.704 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)[C@@H]1CCN(c2cc(Cl)ccc2Cl)C1=O)C1CC1 ZINC000128386904 654845219 /nfs/dbraw/zinc/84/52/19/654845219.db2.gz DVZQHFUDZBLMIH-BBRMVZONSA-N 1 0 384.307 2.803 20 0 GFADRO CC[NH+](CC)[C@H]1CCN(S(=O)(=O)c2cc(Br)ccc2C)C1 ZINC000062983936 654848353 /nfs/dbraw/zinc/84/83/53/654848353.db2.gz PRNLOPBJCSLMTH-AWEZNQCLSA-N 1 0 375.332 2.862 20 0 GFADRO Cc1nc(NC(=O)N(C)CC2CC[NH+](C[C@@H](C)O)CC2)ccc1Br ZINC000128647536 654849797 /nfs/dbraw/zinc/84/97/97/654849797.db2.gz VLWATHSCCMVVLA-GFCCVEGCSA-N 1 0 399.333 2.709 20 0 GFADRO COc1ccc(Br)cc1C(=O)CCC(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000128849000 654852729 /nfs/dbraw/zinc/85/27/29/654852729.db2.gz LKGSEPHHIZBMFL-ZIAGYGMSSA-N 1 0 383.286 2.807 20 0 GFADRO CC(C)n1cc(S(=O)(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)cn1 ZINC000266119162 654858272 /nfs/dbraw/zinc/85/82/72/654858272.db2.gz CZKGKILHGSHOOK-OAHLLOKOSA-N 1 0 382.555 2.716 20 0 GFADRO COc1cc(C[NH2+]CCNS(=O)(=O)Cc2ccccc2)ccc1SC ZINC000063915962 654859615 /nfs/dbraw/zinc/85/96/15/654859615.db2.gz VLHZFIPIJNTRLH-UHFFFAOYSA-N 1 0 380.535 2.626 20 0 GFADRO Cc1cc(Br)c(S(=O)(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)s1 ZINC000266218650 654864145 /nfs/dbraw/zinc/86/41/45/654864145.db2.gz RREOMUGHQDQYHJ-BXKDBHETSA-N 1 0 381.361 2.780 20 0 GFADRO C[C@@H](Cn1cc(Br)cn1)[NH2+]CCc1csc(N2CCCC2)n1 ZINC000129492500 654864560 /nfs/dbraw/zinc/86/45/60/654864560.db2.gz ODPDQAWAAASXLK-LBPRGKRZSA-N 1 0 384.347 2.923 20 0 GFADRO O[C@@H](CN1CC[NH+](CCCOCC(F)(F)F)CC1)c1ccccc1Cl ZINC000064518086 654871125 /nfs/dbraw/zinc/87/11/25/654871125.db2.gz MBLFKRUNMLEEEV-INIZCTEOSA-N 1 0 380.838 2.960 20 0 GFADRO O=C(NC[C@H]1CCC[NH2+]C1)[C@@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl ZINC000129760695 654872307 /nfs/dbraw/zinc/87/23/07/654872307.db2.gz VJBFOKBWGIVYDV-LRDDRELGSA-N 1 0 384.307 2.714 20 0 GFADRO C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+]C[C@@H](O)COCC1CC1 ZINC000129797995 654873988 /nfs/dbraw/zinc/87/39/88/654873988.db2.gz MVWNRFACSFBTSV-BLLLJJGKSA-N 1 0 385.302 2.543 20 0 GFADRO C[NH+](C)CCN(CC(=O)OC(C)(C)C)C(=O)c1cc(Cl)c(N)c(Cl)c1 ZINC000130086993 654880357 /nfs/dbraw/zinc/88/03/57/654880357.db2.gz LMLKGNFNTPMVOJ-UHFFFAOYSA-N 1 0 390.311 2.921 20 0 GFADRO C[NH+](C)C1(CNC(=O)C(=O)Nc2ccc(Br)c(F)c2)CCCC1 ZINC000266576892 654885758 /nfs/dbraw/zinc/88/57/58/654885758.db2.gz QJECUWXWHJJVNP-UHFFFAOYSA-N 1 0 386.265 2.517 20 0 GFADRO C[C@@H](CNC(=O)CCCc1ccccc1Br)C[NH+]1CCN(C)CC1 ZINC000130473593 654889574 /nfs/dbraw/zinc/88/95/74/654889574.db2.gz LZSDEQFPZBIQTR-INIZCTEOSA-N 1 0 396.373 2.772 20 0 GFADRO Cc1csc(=O)n1CCC(=O)N(CC[NH+](C)C)Cc1cccc(Cl)c1 ZINC000065937087 654891219 /nfs/dbraw/zinc/89/12/19/654891219.db2.gz ZRUIMRMLXBHAHK-UHFFFAOYSA-N 1 0 381.929 2.852 20 0 GFADRO CC(C)[N@@H+]1CCCN(C(=O)C(=O)Nc2nc(-c3cccs3)cs2)CC1 ZINC000266932044 654899878 /nfs/dbraw/zinc/89/98/78/654899878.db2.gz HONXNXCHMBRJQO-UHFFFAOYSA-N 1 0 378.523 2.753 20 0 GFADRO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(CCOc2cc(Cl)ccc2Cl)CC1 ZINC000131376124 654904266 /nfs/dbraw/zinc/90/42/66/654904266.db2.gz SFJPJQHGYQMFJB-MRXNPFEDSA-N 1 0 386.323 2.786 20 0 GFADRO C[C@H](C(=O)NCc1nc2cc(Br)cnc2[nH]1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000267158968 654914168 /nfs/dbraw/zinc/91/41/68/654914168.db2.gz KAKFHQUVLCUHQK-OUAUKWLOSA-N 1 0 380.290 2.598 20 0 GFADRO Cc1nc(NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)sc1SCC(N)=O ZINC000267204088 654917212 /nfs/dbraw/zinc/91/72/12/654917212.db2.gz FQEDEFAPUIUDBV-GFCCVEGCSA-N 1 0 382.555 2.622 20 0 GFADRO CCS(=O)(=O)N(C)C1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000066880120 654919859 /nfs/dbraw/zinc/91/98/59/654919859.db2.gz LLWWMJKMKOQJLB-UHFFFAOYSA-N 1 0 380.432 2.831 20 0 GFADRO O=C(NCc1ccccc1Br)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000131947459 654922687 /nfs/dbraw/zinc/92/26/87/654922687.db2.gz VOLLOLISLIWXSV-AWEZNQCLSA-N 1 0 396.329 2.749 20 0 GFADRO C[NH+]1CCN(CCCNC(=O)CCCOc2cccc(Cl)c2Cl)CC1 ZINC000066942167 654923299 /nfs/dbraw/zinc/92/32/99/654923299.db2.gz YKPVGSGIYAEKGA-UHFFFAOYSA-N 1 0 388.339 2.906 20 0 GFADRO NC(=O)c1csc(C[NH2+]C[C@@H](c2cccc(Cl)c2)N2CCOCC2)c1 ZINC000132256973 654931113 /nfs/dbraw/zinc/93/11/13/654931113.db2.gz QGZYVRJHBKVXGQ-KRWDZBQOSA-N 1 0 379.913 2.664 20 0 GFADRO CN(c1ncc(Br)cn1)C1CC[NH+](CCc2ccncc2)CC1 ZINC000067370788 654937505 /nfs/dbraw/zinc/93/75/05/654937505.db2.gz PKFYWUBIACAKDL-UHFFFAOYSA-N 1 0 376.302 2.777 20 0 GFADRO Cc1cc(C[NH2+]C[C@H](CO)[C@H]2CCOC2)c(C)cc1I ZINC000922088253 664585121 /nfs/dbraw/zinc/58/51/21/664585121.db2.gz ZXWQCIFWPJSUAQ-DZGCQCFKSA-N 1 0 389.277 2.643 20 0 GFADRO CCCC[N@H+](C)CCNC(=O)N(C)C[C@H](O)c1ccccc1Br ZINC000838465649 661046829 /nfs/dbraw/zinc/04/68/29/661046829.db2.gz CLXNMECOCHMAMS-INIZCTEOSA-N 1 0 386.334 2.856 20 0 GFADRO Cn1nc(Br)cc1C(=O)Nc1ccc(OCC[NH+](C)C)c(F)c1 ZINC000838287033 661035524 /nfs/dbraw/zinc/03/55/24/661035524.db2.gz AIBRFXZCXPNXJU-UHFFFAOYSA-N 1 0 385.237 2.514 20 0 GFADRO C[C@H](CNC(=O)c1cnc(Sc2nccn2C)c(Cl)c1)[N@H+](C)C1CC1 ZINC000068196050 654957632 /nfs/dbraw/zinc/95/76/32/654957632.db2.gz IRUXSEYILZWDLD-LLVKDONJSA-N 1 0 379.917 2.832 20 0 GFADRO C[C@@H](CC[S@@](C)=O)NC(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000268106240 654959010 /nfs/dbraw/zinc/95/90/10/654959010.db2.gz DBDJUAUFECECQQ-ODCWNRFASA-N 1 0 383.583 2.557 20 0 GFADRO C[C@H](CNC(=O)[C@@H]1C[C@@H]1c1ccc(Br)cc1)C[NH+]1CCN(C)CC1 ZINC000133378775 654962310 /nfs/dbraw/zinc/96/23/10/654962310.db2.gz AZIQPTUZBXGEKR-ZTFGCOKTSA-N 1 0 394.357 2.552 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000133530335 654966130 /nfs/dbraw/zinc/96/61/30/654966130.db2.gz CTZNMPYLKALULX-GFCCVEGCSA-N 1 0 384.318 2.789 20 0 GFADRO Cc1cc(NC(=O)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)ccc1Br ZINC000133543862 654966796 /nfs/dbraw/zinc/96/67/96/654966796.db2.gz WLPMGCWSOAFBTK-GFCCVEGCSA-N 1 0 384.318 2.789 20 0 GFADRO C[N@H+](CCOC(=O)c1c(Br)nc2n1CCC2)Cc1ccccc1 ZINC000838302328 661038730 /nfs/dbraw/zinc/03/87/30/661038730.db2.gz AXPNLWIPKFMMEQ-UHFFFAOYSA-N 1 0 378.270 2.881 20 0 GFADRO O=S(=O)(CC[NH2+]Cc1cccc(Br)c1)NCc1ccccc1 ZINC000069065311 654972314 /nfs/dbraw/zinc/97/23/14/654972314.db2.gz CJAPAHJSDALIMX-UHFFFAOYSA-N 1 0 383.311 2.658 20 0 GFADRO Cc1cc(I)cc(C(=O)N2CC[C@@H](C[NH+](C)C)C2)c1C ZINC000133736496 654972786 /nfs/dbraw/zinc/97/27/86/654972786.db2.gz BAMPGVKXKCEDPY-ZDUSSCGKSA-N 1 0 386.277 2.932 20 0 GFADRO C[NH+](C)CC1CCC(NC(=O)c2ccc(Cl)c(NS(C)(=O)=O)c2)CC1 ZINC000133891673 654976737 /nfs/dbraw/zinc/97/67/37/654976737.db2.gz QKSGDYRRAQBWJI-UHFFFAOYSA-N 1 0 387.933 2.562 20 0 GFADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](C)Oc1cccc(Cl)c1Cl ZINC000069505015 654982244 /nfs/dbraw/zinc/98/22/44/654982244.db2.gz RDVGMWUBFCYHOX-QWHCGFSZSA-N 1 0 375.296 2.988 20 0 GFADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)CCCOc1cccc(Br)c1 ZINC000069529164 654982964 /nfs/dbraw/zinc/98/29/64/654982964.db2.gz YWOLHQWZLHOFKI-INIZCTEOSA-N 1 0 399.329 2.835 20 0 GFADRO CC[N@@H+]1CC[C@H](CNC(=O)c2ccc(F)c(I)c2)C1 ZINC000134132796 654984091 /nfs/dbraw/zinc/98/40/91/654984091.db2.gz RHOZZDINDDFDOY-SNVBAGLBSA-N 1 0 376.213 2.502 20 0 GFADRO O=C(NCCCC[N@H+]1CCC[C@@H]1CO)c1c(F)cc(Br)cc1F ZINC000134186596 654985730 /nfs/dbraw/zinc/98/57/30/654985730.db2.gz FOZURJBBHSPNSU-GFCCVEGCSA-N 1 0 391.256 2.694 20 0 GFADRO C[C@@H]1CN(CCO)CCN1C(=O)N[C@@H]1CCOc2c(Cl)c(Cl)ccc21 ZINC000838564327 661049889 /nfs/dbraw/zinc/04/98/89/661049889.db2.gz BXHJFSREBHATJW-BXUZGUMPSA-N 1 0 388.295 2.525 20 0 GFADRO Brc1cncnc1Sc1nnc([C@H]2CCC[NH2+]C2)n1C1CC1 ZINC000268791726 654986848 /nfs/dbraw/zinc/98/68/48/654986848.db2.gz GQQDKEJXCCWDON-VIFPVBQESA-N 1 0 381.303 2.784 20 0 GFADRO Cc1c([C@H](C)NCc2ccnn2C)nnn1-c1cccc(Br)c1 ZINC000268819640 654987883 /nfs/dbraw/zinc/98/78/83/654987883.db2.gz NSUBBEZZYVFWCB-NSHDSACASA-N 1 0 375.274 2.923 20 0 GFADRO C[NH2+]CCC1CCN(S(=O)(=O)c2ccc(Br)c(C)c2)CC1 ZINC000070189525 654992428 /nfs/dbraw/zinc/99/24/28/654992428.db2.gz VJIIOSPGCCANIM-UHFFFAOYSA-N 1 0 375.332 2.768 20 0 GFADRO O=C(NCc1cccc(Br)c1)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000268960849 654992936 /nfs/dbraw/zinc/99/29/36/654992936.db2.gz IOJUXLXZQBRKMA-DLBZAZTESA-N 1 0 396.329 2.626 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)[C@H]1CCCN1C(=O)c1cccs1)c1cccs1 ZINC000070690538 654993169 /nfs/dbraw/zinc/99/31/69/654993169.db2.gz WOFGEKLVKBYEFW-ZIAGYGMSSA-N 1 0 377.535 2.833 20 0 GFADRO O=C(NCc1ccc2c(c1)C[NH2+]C2)c1csc(I)c1 ZINC000134525831 654995096 /nfs/dbraw/zinc/99/50/96/654995096.db2.gz UUJOHSVRVUBTQZ-UHFFFAOYSA-N 1 0 384.242 2.886 20 0 GFADRO CCCN([C@@H]1CC[NH2+]C1)S(=O)(=O)c1ccc(Br)cc1Cl ZINC000071330344 654999803 /nfs/dbraw/zinc/99/98/03/654999803.db2.gz XYVYWKWRDTYNKM-LLVKDONJSA-N 1 0 381.723 2.865 20 0 GFADRO CN1CC[NH+](CC2(C)CCN(C(=O)NC[C@]3(C)CC3(Cl)Cl)CC2)CC1 ZINC000838664329 661052427 /nfs/dbraw/zinc/05/24/27/661052427.db2.gz RVQDWQWPHCXLKJ-KRWDZBQOSA-N 1 0 391.387 2.629 20 0 GFADRO C[C@@]1(C(=O)N2CCC(C(=O)Nc3cccc(Br)c3)CC2)CC[NH2+]C1 ZINC000269210108 655001699 /nfs/dbraw/zinc/00/16/99/655001699.db2.gz BNVKFMVMAWYGBA-GOSISDBHSA-N 1 0 394.313 2.626 20 0 GFADRO Cc1c(C(=O)N(C)Cc2cccc(Br)c2)nnn1C1CC[NH2+]CC1 ZINC000269249331 655002778 /nfs/dbraw/zinc/00/27/78/655002778.db2.gz SNIIMMDDXCNXBM-UHFFFAOYSA-N 1 0 392.301 2.546 20 0 GFADRO [NH3+]C[C@@H](C(=O)NCc1cc(Br)c2c(c1)OCCO2)c1ccccc1 ZINC000269246918 655002835 /nfs/dbraw/zinc/00/28/35/655002835.db2.gz KURPICBEMXIXCB-CQSZACIVSA-N 1 0 391.265 2.579 20 0 GFADRO C[C@@H]1CN(C(=O)[C@H]2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)CC[C@@H]1[NH3+] ZINC000269244080 655002926 /nfs/dbraw/zinc/00/29/26/655002926.db2.gz ZCAHGLGAMJYVEO-XFBWCDHKSA-N 1 0 384.307 2.794 20 0 GFADRO C[C@H]1CN(C(=O)c2nn(-c3ccc(F)cc3)cc2Br)CC[C@H]1[NH3+] ZINC000269308877 655005163 /nfs/dbraw/zinc/00/51/63/655005163.db2.gz ZXBJATILRXFIHP-IINYFYTJSA-N 1 0 381.249 2.583 20 0 GFADRO Cc1cc(CN2CCC(C(=O)NCC[NH+](C)C)CC2)sc1Br ZINC000092615699 655014957 /nfs/dbraw/zinc/01/49/57/655014957.db2.gz CWQFIKVBXLVHJI-UHFFFAOYSA-N 1 0 388.375 2.709 20 0 GFADRO CC(C)C[N@H+](Cc1ccccc1Br)Cc1cn(C)c(=O)n(C)c1=O ZINC000093844740 655021178 /nfs/dbraw/zinc/02/11/78/655021178.db2.gz FDYQCDIMHJBWCL-UHFFFAOYSA-N 1 0 394.313 2.505 20 0 GFADRO C[NH+](C)C1CCN(CCNC(=O)c2ccc(Cl)c(Br)c2)CC1 ZINC000269986254 655030203 /nfs/dbraw/zinc/03/02/03/655030203.db2.gz XXTAKXCJTIBFBK-UHFFFAOYSA-N 1 0 388.737 2.858 20 0 GFADRO O=C(NCC1([NH+]2CCSCC2)CCCC1)c1cccc(Br)n1 ZINC000136411416 655031217 /nfs/dbraw/zinc/03/12/17/655031217.db2.gz ALASIYVOPNYULF-UHFFFAOYSA-N 1 0 384.343 2.936 20 0 GFADRO C[NH+](C)CCn1cc(NS(=O)(=O)c2cccc(Cl)c2Cl)ccc1=O ZINC000270078870 655033434 /nfs/dbraw/zinc/03/34/34/655033434.db2.gz ZMMQZSSADORSJW-UHFFFAOYSA-N 1 0 390.292 2.518 20 0 GFADRO C[NH+]1CCC([C@@H]2CCN(S(=O)(=O)c3sccc3Br)C2)CC1 ZINC000270169332 655035892 /nfs/dbraw/zinc/03/58/92/655035892.db2.gz CGVUDSKSOSENPP-GFCCVEGCSA-N 1 0 393.372 2.863 20 0 GFADRO O=C(Cc1ccc(Br)cc1)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000136938616 655036802 /nfs/dbraw/zinc/03/68/02/655036802.db2.gz KVJHXERPOKHOJS-OAHLLOKOSA-N 1 0 381.314 2.609 20 0 GFADRO O=C(Nc1ccccc1Br)C1CC[NH+](CCN2CCCC2=O)CC1 ZINC000101916529 655048270 /nfs/dbraw/zinc/04/82/70/655048270.db2.gz JUEJUUQOVHTHBS-UHFFFAOYSA-N 1 0 394.313 2.722 20 0 GFADRO CS[C@H]1CN(Cc2nnc(-c3ccccc3Br)o2)C[C@@H]1[NH+](C)C ZINC000270626657 655051362 /nfs/dbraw/zinc/05/13/62/655051362.db2.gz FQROKZKUJALMLL-KBPBESRZSA-N 1 0 397.342 2.977 20 0 GFADRO C[C@H](NC(=O)[C@@H]1CSCCS1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000102609480 655056318 /nfs/dbraw/zinc/05/63/18/655056318.db2.gz BDMRTPVOVCWFKM-GUYCJALGSA-N 1 0 383.558 2.603 20 0 GFADRO C[C@@H](CSC(C)(C)C)[NH2+]Cc1ccc(S(=O)(=O)N2CCOCC2)s1 ZINC000152144671 655056753 /nfs/dbraw/zinc/05/67/53/655056753.db2.gz ZDEKVYAVGAUSFJ-ZDUSSCGKSA-N 1 0 392.612 2.779 20 0 GFADRO C[NH+](C)CCN(C1CCCCC1)S(=O)(=O)c1c(Cl)nc2ccccn21 ZINC000152196087 655057075 /nfs/dbraw/zinc/05/70/75/655057075.db2.gz NNJJPMNBGJEQCU-UHFFFAOYSA-N 1 0 384.933 2.873 20 0 GFADRO C[C@@H]1C[NH+](CC2CCN(S(=O)(=O)c3ccccc3Cl)CC2)C[C@@H](C)O1 ZINC000102661279 655057576 /nfs/dbraw/zinc/05/75/76/655057576.db2.gz YPNTUMWEVRXVNY-HUUCEWRRSA-N 1 0 386.945 2.850 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)c1coc(Br)c1 ZINC000270877355 655058702 /nfs/dbraw/zinc/05/87/02/655058702.db2.gz OYBJKGNZKKJJBC-JKSUJKDBSA-N 1 0 393.281 2.655 20 0 GFADRO CC[NH+](CC)[C@@H]1CCN(S(=O)(=O)c2cc(Br)ccc2OC)C1 ZINC000102827331 655062013 /nfs/dbraw/zinc/06/20/13/655062013.db2.gz MUBCBJVZDPBBLV-CYBMUJFWSA-N 1 0 391.331 2.563 20 0 GFADRO O=C(NCC1([NH+]2CCCC2)CCOCC1)[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000271091571 655066391 /nfs/dbraw/zinc/06/63/91/655066391.db2.gz UJUGQUDZPSVVCE-INIZCTEOSA-N 1 0 387.307 2.788 20 0 GFADRO O=C1CC2(CN1)CC[NH+](CC1=Cc3cc(Br)ccc3OC1)CC2 ZINC000271181737 655068934 /nfs/dbraw/zinc/06/89/34/655068934.db2.gz LJHYTZIUUCQAFV-UHFFFAOYSA-N 1 0 377.282 2.827 20 0 GFADRO COc1cc(C[N@H+](CCO)CCOCC(F)(F)F)c(SC)cc1OC ZINC000271192990 655069602 /nfs/dbraw/zinc/06/96/02/655069602.db2.gz QEFUHJPSQBXLLK-UHFFFAOYSA-N 1 0 383.432 2.799 20 0 GFADRO COc1cc(Br)cc(NC(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)c1 ZINC000271242437 655072375 /nfs/dbraw/zinc/07/23/75/655072375.db2.gz UTKAQOGKUWRENJ-ZDUSSCGKSA-N 1 0 398.301 2.644 20 0 GFADRO CCOC(=O)N1CC[C@H]([NH2+]Cc2cc(Br)c(O)c(OCC)c2)C1 ZINC000839015301 661067912 /nfs/dbraw/zinc/06/79/12/661067912.db2.gz IRPZZBATFBUQGW-LBPRGKRZSA-N 1 0 387.274 2.874 20 0 GFADRO COc1cc(C[N@H+](C)CCCNC(=O)C(F)(F)F)c(SC)cc1OC ZINC000154849184 655078711 /nfs/dbraw/zinc/07/87/11/655078711.db2.gz AAGFXBNEZBIGMR-UHFFFAOYSA-N 1 0 380.432 2.926 20 0 GFADRO NS(=O)(=O)C[C@H]1CCC[N@@H+]([C@@H]2CCCc3ccc(Br)cc32)C1 ZINC000271385595 655078929 /nfs/dbraw/zinc/07/89/29/655078929.db2.gz KZPDUGJCGSBAOE-BLLLJJGKSA-N 1 0 387.343 2.827 20 0 GFADRO CNC(=O)CN1CCC([NH2+][C@H]2CCCc3ccc(Br)cc32)CC1 ZINC000271397823 655079661 /nfs/dbraw/zinc/07/96/61/655079661.db2.gz REMQPFVHICGXRK-KRWDZBQOSA-N 1 0 380.330 2.627 20 0 GFADRO Cc1nc(Br)ccc1NC(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000271523198 655083827 /nfs/dbraw/zinc/08/38/27/655083827.db2.gz DBHHQWBZMCGGPJ-LSDHHAIUSA-N 1 0 397.317 2.652 20 0 GFADRO C[C@H]1CCCC[N@@H+]1CCCNS(=O)(=O)c1cc2c(cc1Cl)OCCO2 ZINC000104733303 655084829 /nfs/dbraw/zinc/08/48/29/655084829.db2.gz AGQVNDNFQFRKIS-ZDUSSCGKSA-N 1 0 388.917 2.654 20 0 GFADRO CCC[NH+]1CCC(NS(=O)(=O)c2cc(Cl)c(NC(C)=O)cc2F)CC1 ZINC000104733449 655084917 /nfs/dbraw/zinc/08/49/17/655084917.db2.gz XLTWWKLCDTVNJJ-UHFFFAOYSA-N 1 0 391.896 2.590 20 0 GFADRO CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+]C[C@](C)(O)C(F)(F)F)cc1 ZINC000271578134 655086333 /nfs/dbraw/zinc/08/63/33/655086333.db2.gz WMKZUMYCAXVDNG-WFASDCNBSA-N 1 0 382.448 2.681 20 0 GFADRO COCCN(CC[NH+](C)C)C(=O)Nc1cccc(Br)c1COC ZINC000105028504 655088527 /nfs/dbraw/zinc/08/85/27/655088527.db2.gz SYYLJAMWUMLLDN-UHFFFAOYSA-N 1 0 388.306 2.637 20 0 GFADRO CCC(=O)N1CCC[N@H+](Cn2ccc(=O)c3cccc(Br)c32)CC1 ZINC000105604566 655095770 /nfs/dbraw/zinc/09/57/70/655095770.db2.gz NZONPNDPOHSEBK-UHFFFAOYSA-N 1 0 392.297 2.666 20 0 GFADRO C[C@@H]1C[C@H](C(=O)Nc2cc(Br)ccc2N2CC[NH+](C)CC2)CCO1 ZINC000271828976 655096024 /nfs/dbraw/zinc/09/60/24/655096024.db2.gz DPYOXGFSUYWIBA-ZIAGYGMSSA-N 1 0 396.329 2.955 20 0 GFADRO C[N@H+]1CC=C(CNC(=O)[C@]23CCC(=O)N2c2cc(Cl)ccc2S3)CC1 ZINC000271832053 655096181 /nfs/dbraw/zinc/09/61/81/655096181.db2.gz HHJYBKOORSZQOA-GOSISDBHSA-N 1 0 377.897 2.647 20 0 GFADRO COc1cc(Cl)c(C[NH2+][C@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)cc1Cl ZINC000271916741 655098329 /nfs/dbraw/zinc/09/83/29/655098329.db2.gz BENKRVDRZYPPMN-LRDDRELGSA-N 1 0 394.320 2.828 20 0 GFADRO O=S1(=O)CC[C@@]2(C1)C[C@@H]([NH2+]Cc1cc(Cl)cc3cccnc31)CCO2 ZINC000271975339 655099756 /nfs/dbraw/zinc/09/97/56/655099756.db2.gz ILDZSHVHBSYWCA-WMZOPIPTSA-N 1 0 380.897 2.714 20 0 GFADRO CCOCC[NH+]1CCN(Cc2ccc(OC)c(OC)c2Br)CC1 ZINC000106104841 655102754 /nfs/dbraw/zinc/10/27/54/655102754.db2.gz AEXWHVAVNYAAHO-UHFFFAOYSA-N 1 0 387.318 2.620 20 0 GFADRO CCc1nn(C)c(Cl)c1CN1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000106158911 655104028 /nfs/dbraw/zinc/10/40/28/655104028.db2.gz REIPZUUZMNVCJW-UHFFFAOYSA-N 1 0 382.858 2.723 20 0 GFADRO COC(=O)[C@@H](C)C[N@H+](C)C[C@H](O)COc1ccc(Cl)cc1Br ZINC000106383114 655107479 /nfs/dbraw/zinc/10/74/79/655107479.db2.gz BCEFYHPSNNHMBG-JQWIXIFHSA-N 1 0 394.693 2.583 20 0 GFADRO C[N@H+](CCCN1C(=O)NC(C)(C)C1=O)CCc1ccc(Br)cc1 ZINC000106861793 655112692 /nfs/dbraw/zinc/11/26/92/655112692.db2.gz UNFFCHRLHRPZLE-UHFFFAOYSA-N 1 0 382.302 2.644 20 0 GFADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)Cc1ccncc1 ZINC000272438170 655112910 /nfs/dbraw/zinc/11/29/10/655112910.db2.gz UGACMONWDHKPSO-UHFFFAOYSA-N 1 0 376.298 2.977 20 0 GFADRO Cc1ccc(NC(=O)C(=O)NCC2(C)CC[NH+](C)CC2)cc1Br ZINC000272688571 655119016 /nfs/dbraw/zinc/11/90/16/655119016.db2.gz NGPWWJQRIJZXIL-UHFFFAOYSA-N 1 0 382.302 2.544 20 0 GFADRO C[N@@H+]1CCCC[C@H]1CN1CCN(Cn2ncc(Br)c2C2CC2)CC1 ZINC000160510333 655122660 /nfs/dbraw/zinc/12/26/60/655122660.db2.gz BUPMFEFPABVSRH-INIZCTEOSA-N 1 0 396.377 2.582 20 0 GFADRO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)c1csc(I)c1 ZINC000107780182 655124722 /nfs/dbraw/zinc/12/47/22/655124722.db2.gz ZBDBCFATSPSOSV-SECBINFHSA-N 1 0 376.263 2.567 20 0 GFADRO OC[C@H]([NH2+]C[C@H](O)COCc1ccccc1F)c1ccc(Br)cc1 ZINC000272966663 655126684 /nfs/dbraw/zinc/12/66/84/655126684.db2.gz BLJBFZHQQIBELS-WMZOPIPTSA-N 1 0 398.272 2.789 20 0 GFADRO CN(Cc1ccccc1)C(=O)C[NH2+][C@@H](CO)c1ccc(Br)cc1 ZINC000273134109 655131838 /nfs/dbraw/zinc/13/18/38/655131838.db2.gz SCKIMSRCCHUSLJ-KRWDZBQOSA-N 1 0 377.282 2.731 20 0 GFADRO O=S(=O)(/C=C/c1cccc(Br)c1)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000108403855 655131978 /nfs/dbraw/zinc/13/19/78/655131978.db2.gz FAAODSMNZUFVEE-MNDMWVCDSA-N 1 0 385.327 2.824 20 0 GFADRO C[C@H]([NH2+]CCNS(=O)(=O)Cc1ccon1)c1ccc(SC(F)F)cc1 ZINC000162422060 655132037 /nfs/dbraw/zinc/13/20/37/655132037.db2.gz FRTFEKKVIIYHTK-NSHDSACASA-N 1 0 391.465 2.760 20 0 GFADRO C[C@H](C1CC1)N(C(=O)C[NH2+][C@@H](CO)c1ccc(Br)cc1)C1CC1 ZINC000273149461 655132386 /nfs/dbraw/zinc/13/23/86/655132386.db2.gz WPVZAJKCYUTDOO-PXAZEXFGSA-N 1 0 381.314 2.862 20 0 GFADRO Cc1ccc([C@H]([NH2+][C@H](C)C[S@](C)=O)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000273180870 655133975 /nfs/dbraw/zinc/13/39/75/655133975.db2.gz DZJYJTKZDYZQEF-YIEPVFBUSA-N 1 0 379.547 2.845 20 0 GFADRO CC[NH+](CC)[C@H](CNC(=O)c1cnn(C)c1Br)c1ccccc1 ZINC000273250888 655136608 /nfs/dbraw/zinc/13/66/08/655136608.db2.gz RNBDVCGDTFPPFN-OAHLLOKOSA-N 1 0 379.302 2.996 20 0 GFADRO C[N@@H+]1CCC[C@@H]2CN(Cn3nnn(-c4ccc(Cl)cc4)c3=S)CC[C@@H]21 ZINC000164683184 655138411 /nfs/dbraw/zinc/13/84/11/655138411.db2.gz VGJLKRZONVGXJW-CJNGLKHVSA-N 1 0 378.933 2.825 20 0 GFADRO CC1(C)NC(=O)N(CC[N@H+](CCCO)Cc2ccc(Cl)c(Cl)c2)C1=O ZINC000109332591 655145015 /nfs/dbraw/zinc/14/50/15/655145015.db2.gz IVKWRBCSDWPJIX-UHFFFAOYSA-N 1 0 388.295 2.508 20 0 GFADRO CC(=O)Nc1ccc(S(=O)(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)cc1Cl ZINC000273550815 655147613 /nfs/dbraw/zinc/14/76/13/655147613.db2.gz VXFQAXDUJMNCQR-GFCCVEGCSA-N 1 0 387.933 2.649 20 0 GFADRO CC[N@H+](CC[C@H]1CCN(C(=O)OC(C)(C)C)C1)[C@@H](C)CS(=O)(=O)CC ZINC000839493871 661087279 /nfs/dbraw/zinc/08/72/79/661087279.db2.gz YMCDNSHKTPNYPL-HOTGVXAUSA-N 1 0 376.563 2.779 20 0 GFADRO CC(=O)Nc1ccc(S(=O)(=O)NCC2(C[NH+](C)C)CCCC2)cc1Cl ZINC000273610144 655150675 /nfs/dbraw/zinc/15/06/75/655150675.db2.gz OGLMNVMHACJQIZ-UHFFFAOYSA-N 1 0 387.933 2.699 20 0 GFADRO C[N@@H+]1CCCC[C@@H]1CN1CCN(C[C@H](O)c2cccc(Br)c2)CC1 ZINC000109753781 655151182 /nfs/dbraw/zinc/15/11/82/655151182.db2.gz OCYZNGVDMJYMOH-MOPGFXCFSA-N 1 0 396.373 2.584 20 0 GFADRO COc1ccc(Br)c(NC(=O)N2C[C@@H](SC)[C@@H]([NH+](C)C)C2)c1 ZINC000273734363 655156314 /nfs/dbraw/zinc/15/63/14/655156314.db2.gz RCAPFWGKPBHIKG-UONOGXRCSA-N 1 0 388.331 2.967 20 0 GFADRO CCS(=O)(=O)c1ccc(Cl)c(C(=O)NC2CC[NH+](CC3CC3)CC2)c1 ZINC000172375937 655157488 /nfs/dbraw/zinc/15/74/88/655157488.db2.gz WIPKTNHJJPCUFR-UHFFFAOYSA-N 1 0 384.929 2.738 20 0 GFADRO NC(=O)C1([NH2+]C[C@H](O)c2ccccc2Br)C2CC3CC(C2)CC1C3 ZINC000839198306 661075775 /nfs/dbraw/zinc/07/57/75/661075775.db2.gz LUYGZPMOHWHLGY-HOUAESTISA-N 1 0 393.325 2.752 20 0 GFADRO Ic1cccc(-c2nc([C@@H]3C[N@@H+]4CCC[C@H]4CO3)no2)c1 ZINC000273864725 655161493 /nfs/dbraw/zinc/16/14/93/655161493.db2.gz DFRCZYWNJAZZAR-STQMWFEESA-N 1 0 397.216 2.877 20 0 GFADRO CCOCC[NH+]1CCN(Cn2nc(-c3cccs3)n(CC)c2=S)CC1 ZINC000111164583 655165856 /nfs/dbraw/zinc/16/58/56/655165856.db2.gz ILBJAEMBQHNQII-UHFFFAOYSA-N 1 0 381.571 2.774 20 0 GFADRO C[C@H]1C[C@H](N(C)S(=O)(=O)N(C)Cc2c(F)cccc2Cl)CC[N@@H+]1C ZINC000173275966 655166605 /nfs/dbraw/zinc/16/66/05/655166605.db2.gz HOQKJNVRRUCOFY-QWHCGFSZSA-N 1 0 377.913 2.570 20 0 GFADRO C[NH+](C)[C@H]1CCCN(Cc2csc(-c3ccc(S(C)(=O)=O)cc3)n2)C1 ZINC000111249928 655167423 /nfs/dbraw/zinc/16/74/23/655167423.db2.gz JNGPGUBELCXMQW-INIZCTEOSA-N 1 0 379.551 2.740 20 0 GFADRO C[C@H](O)C1CC[NH+](C[C@@H](O)COc2ccc(Cl)cc2Br)CC1 ZINC000111284407 655167755 /nfs/dbraw/zinc/16/77/55/655167755.db2.gz SNCBWAHPNUSZIP-SMDDNHRTSA-N 1 0 392.721 2.935 20 0 GFADRO NC(=O)[C@H](c1ccc(Br)cc1)N1CCC([NH2+]C2CCCC2)CC1 ZINC000111299873 655168331 /nfs/dbraw/zinc/16/83/31/655168331.db2.gz GZJVLWNIZULFGG-KRWDZBQOSA-N 1 0 380.330 2.972 20 0 GFADRO CS[C@H]1CN(CC(=O)N2CCSc3ccccc32)C[C@H]1[NH+]1CCCC1 ZINC000274066389 655171485 /nfs/dbraw/zinc/17/14/85/655171485.db2.gz PIVCVEIJUGEIBD-AEFFLSMTSA-N 1 0 377.579 2.637 20 0 GFADRO COc1ccc([C@H](C)[NH2+][C@H]2CCN(c3cnn(C)c3)C2=O)cc1Br ZINC000111371197 655171901 /nfs/dbraw/zinc/17/19/01/655171901.db2.gz AOCNEOOKBMVJFE-NHYWBVRUSA-N 1 0 393.285 2.647 20 0 GFADRO O=C(c1ccccc1I)N1CC[NH+](CC2CCC2)CC1 ZINC000173555716 655174864 /nfs/dbraw/zinc/17/48/64/655174864.db2.gz AUPWSXWFXAJZDL-UHFFFAOYSA-N 1 0 384.261 2.849 20 0 GFADRO C[C@@H]1C[C@@H](N(C)C(=O)Nc2ccc(NS(C)(=O)=O)c(Cl)c2)CC[N@@H+]1C ZINC000173555402 655174918 /nfs/dbraw/zinc/17/49/18/655174918.db2.gz DZIYTJLTHJATKC-YPMHNXCESA-N 1 0 388.921 2.658 20 0 GFADRO Cc1ccc(Br)cc1C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000173685561 655176191 /nfs/dbraw/zinc/17/61/91/655176191.db2.gz ZTYGAQAKVOCLST-OAHLLOKOSA-N 1 0 381.314 2.942 20 0 GFADRO COc1c(Br)cc(Cl)cc1NC(=O)COC1CC[NH2+]CC1 ZINC000111795659 655177407 /nfs/dbraw/zinc/17/74/07/655177407.db2.gz JSZFQDMNCGNWAN-UHFFFAOYSA-N 1 0 377.666 2.818 20 0 GFADRO COc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2ncccn2)cc1Br ZINC000112518368 655192812 /nfs/dbraw/zinc/19/28/12/655192812.db2.gz KWTRLUZQOCBQTI-MNOVXSKESA-N 1 0 379.258 2.926 20 0 GFADRO C[C@H]([NH2+]CC1CCN(S(C)(=O)=O)CC1)c1ccccc1Br ZINC000112539488 655193207 /nfs/dbraw/zinc/19/32/07/655193207.db2.gz SVYLPOTVYPETMN-LBPRGKRZSA-N 1 0 375.332 2.771 20 0 GFADRO CCOC(=O)N1CC[C@H]([NH2+][C@@H](C)c2ccc(S(=O)(=O)C(F)F)cc2)C1 ZINC000274581495 655193715 /nfs/dbraw/zinc/19/37/15/655193715.db2.gz CKVTYPOPIMDOTI-AAEUAGOBSA-N 1 0 376.425 2.564 20 0 GFADRO CC(C)Oc1cc(Br)cc(C(=O)NC[C@@H](C)N2CC[NH+](C)CC2)c1 ZINC000174232363 655194205 /nfs/dbraw/zinc/19/42/05/655194205.db2.gz SGIYMJCNVHLGNU-CQSZACIVSA-N 1 0 398.345 2.602 20 0 GFADRO CCc1c(C(=O)NCC[N@@H+](C)CC)cnn1-c1ccc(Br)cc1 ZINC000112925468 655199852 /nfs/dbraw/zinc/19/98/52/655199852.db2.gz ZJCWUFVAWXLQDA-UHFFFAOYSA-N 1 0 379.302 2.879 20 0 GFADRO COC[C@H]1CCC[N@H+](CC(=O)Nc2ccc(I)cc2)C1 ZINC000112990512 655201004 /nfs/dbraw/zinc/20/10/04/655201004.db2.gz DCCVYCGRKWMASH-LBPRGKRZSA-N 1 0 388.249 2.588 20 0 GFADRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)NCc1ccccc1Br ZINC000174428241 655202634 /nfs/dbraw/zinc/20/26/34/655202634.db2.gz TUIHRPCRJDCNKQ-OAHLLOKOSA-N 1 0 384.318 2.701 20 0 GFADRO C[N@H+]1CC=C(CNCc2ncc(Br)cc2Br)CC1 ZINC000274817628 655203143 /nfs/dbraw/zinc/20/31/43/655203143.db2.gz GDESUKLOKLFFOJ-UHFFFAOYSA-N 1 0 375.108 2.958 20 0 GFADRO O=C(NC[C@H](O)c1c(F)cccc1Cl)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000839689916 661100026 /nfs/dbraw/zinc/10/00/26/661100026.db2.gz BBQMPLXXOPBZBF-BBRMVZONSA-N 1 0 386.920 2.846 20 0 GFADRO O=C(CC[N@H+]1CC[C@](O)(C(F)(F)F)C1)Nc1ccc(Br)cc1F ZINC000174749395 655207422 /nfs/dbraw/zinc/20/74/22/655207422.db2.gz ROTHTIGISAHQST-CYBMUJFWSA-N 1 0 399.182 2.916 20 0 GFADRO CS[C@@H]1CN(C[C@@H](O)COCc2ccccc2Cl)C[C@@H]1[NH+]1CCCC1 ZINC000275038497 655213075 /nfs/dbraw/zinc/21/30/75/655213075.db2.gz GPTSNWIOYHXCHC-NZSAHSFTSA-N 1 0 384.973 2.729 20 0 GFADRO C[NH+](C)C1(CNC(=O)Cc2ccc(Cl)cc2Br)CCOCC1 ZINC000113990918 655216864 /nfs/dbraw/zinc/21/68/64/655216864.db2.gz CFBGAOVJYNIRLC-UHFFFAOYSA-N 1 0 389.721 2.872 20 0 GFADRO Nc1cc(N)[nH+]c(SCc2nc(-c3ccc(Br)s3)no2)n1 ZINC000114217991 655218402 /nfs/dbraw/zinc/21/84/02/655218402.db2.gz FSOBBOIERIVYMR-UHFFFAOYSA-N 1 0 385.272 2.807 20 0 GFADRO CC[N@@H+]1CCCN(C(=O)C(=O)Nc2ccc3nc(SC)sc3c2)CC1 ZINC000275250894 655225256 /nfs/dbraw/zinc/22/52/56/655225256.db2.gz MZWMJAURQFXGMS-UHFFFAOYSA-N 1 0 378.523 2.511 20 0 GFADRO CC(C)C[C@@H](CNC(=O)C(=O)Nc1nc(-c2cccs2)cs1)[NH+](C)C ZINC000175830536 655227350 /nfs/dbraw/zinc/22/73/50/655227350.db2.gz VJWSGHJQEAKQTE-LBPRGKRZSA-N 1 0 380.539 2.903 20 0 GFADRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)Nc1nc(-c2cccs2)cs1 ZINC000176041751 655232851 /nfs/dbraw/zinc/23/28/51/655232851.db2.gz MRFKXHCGAHYLSV-GFCCVEGCSA-N 1 0 378.523 2.801 20 0 GFADRO Cc1cc(CCC(=O)NCC2([NH+](C)C)CCOCC2)ccc1Br ZINC000176081984 655234669 /nfs/dbraw/zinc/23/46/69/655234669.db2.gz DBNIKDJBTRNVDC-UHFFFAOYSA-N 1 0 383.330 2.917 20 0 GFADRO C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000115432711 655237398 /nfs/dbraw/zinc/23/73/98/655237398.db2.gz LLOAEMKTGTZSSZ-QWHCGFSZSA-N 1 0 386.323 2.912 20 0 GFADRO OCC[N@H+](Cc1ccnc(-c2ccc(Br)cc2)n1)C1CCOCC1 ZINC000275517445 655239923 /nfs/dbraw/zinc/23/99/23/655239923.db2.gz IUWVDEMWCXHGCB-UHFFFAOYSA-N 1 0 392.297 2.879 20 0 GFADRO CCOCCC[N@@H+]1CC[C@H](NS(=O)(=O)c2cccc(Cl)c2F)[C@H](C)C1 ZINC000115592155 655240078 /nfs/dbraw/zinc/24/00/78/655240078.db2.gz LQODAFQKZPILQV-HIFRSBDPSA-N 1 0 392.924 2.894 20 0 GFADRO CC[NH+]1CCN(CCC(=O)NCC2(c3cccc(Br)c3)CC2)CC1 ZINC000115715180 655241712 /nfs/dbraw/zinc/24/17/12/655241712.db2.gz UOQSBSAVFCHISX-UHFFFAOYSA-N 1 0 394.357 2.625 20 0 GFADRO CS[C@H]1CN(C(=O)c2cc(Br)ncc2Cl)C[C@@H]1[NH+](C)C ZINC000275756607 655249741 /nfs/dbraw/zinc/24/97/41/655249741.db2.gz UYDMTWDNLPVKFZ-QWRGUYRKSA-N 1 0 378.723 2.615 20 0 GFADRO Cc1cc(S(=O)(=O)N2CC[C@H]([NH+]3CCCC3)C2)c(C)cc1Br ZINC000116898064 655255873 /nfs/dbraw/zinc/25/58/73/655255873.db2.gz ILWIXDVXEUNIRB-AWEZNQCLSA-N 1 0 387.343 2.925 20 0 GFADRO CC(C)(C)[S@](=O)CCNC(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000116951819 655257431 /nfs/dbraw/zinc/25/74/31/655257431.db2.gz XFAKBGBZFBXHGT-MQNRADLISA-N 1 0 385.599 2.807 20 0 GFADRO O=C(Nc1ccc(F)cc1Br)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000176874024 655258410 /nfs/dbraw/zinc/25/84/10/655258410.db2.gz ZZTGUUAUICJAAR-LBPRGKRZSA-N 1 0 386.265 2.774 20 0 GFADRO CCO[C@@H](CC[NH+](C)C)CNC(=O)[C@@H](C)Oc1cccc(Br)c1 ZINC000176903021 655259961 /nfs/dbraw/zinc/25/99/61/655259961.db2.gz LMBRTEQXTMXTIE-CJNGLKHVSA-N 1 0 387.318 2.689 20 0 GFADRO CCO[C@H](CC[NH+](C)C)CNC(=O)[C@@H](C)Oc1ccccc1Br ZINC000176911199 655260864 /nfs/dbraw/zinc/26/08/64/655260864.db2.gz SPTVIJZPASDGIR-ZIAGYGMSSA-N 1 0 387.318 2.689 20 0 GFADRO O=C(NCC1([NH+]2CCCC2)CCOCC1)Nc1cccc(Br)n1 ZINC000276198959 655266945 /nfs/dbraw/zinc/26/69/45/655266945.db2.gz YGLBLGMJSVOXMY-UHFFFAOYSA-N 1 0 383.290 2.611 20 0 GFADRO C[C@H](CNC(=O)c1nn(-c2ccc(F)cc2)cc1Br)[N@H+](C)C1CC1 ZINC000117785395 655268059 /nfs/dbraw/zinc/26/80/59/655268059.db2.gz YXUWWEJPXUTAMH-LLVKDONJSA-N 1 0 395.276 2.986 20 0 GFADRO O=S(=O)(C[C@H](O)C[NH2+]CCCCCOc1ccccc1)c1cccs1 ZINC000276227244 655268125 /nfs/dbraw/zinc/26/81/25/655268125.db2.gz MSODEVRWRVXRAV-MRXNPFEDSA-N 1 0 383.535 2.722 20 0 GFADRO C[N@H+](CCCO)C1CCN(CC[S@](=O)c2cc(Cl)ccc2Cl)CC1 ZINC000117884191 655269333 /nfs/dbraw/zinc/26/93/33/655269333.db2.gz IPQZCLHDYMLUKY-XMMPIXPASA-N 1 0 393.380 2.880 20 0 GFADRO C[NH+](C)C1CCN(CCNC(=O)c2cc(-c3ccc(Cl)s3)on2)CC1 ZINC000177143439 655270039 /nfs/dbraw/zinc/27/00/39/655270039.db2.gz HARCQVVMFAVDRM-UHFFFAOYSA-N 1 0 382.917 2.812 20 0 GFADRO CCOc1cc(C[NH2+]C[C@H](O)COC)cc(Br)c1OC(F)F ZINC000117946542 655270725 /nfs/dbraw/zinc/27/07/25/655270725.db2.gz FNSBNWQVEHBRQH-JTQLQIEISA-N 1 0 384.217 2.546 20 0 GFADRO C[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cccc(Cl)c1SC(F)F ZINC000118106645 655271872 /nfs/dbraw/zinc/27/18/72/655271872.db2.gz MRNLXKOHMDGPSW-VIFPVBQESA-N 1 0 377.844 2.804 20 0 GFADRO CC[N@H+](CCNC(=O)C(=O)Nc1ccc(Cl)cc1C(F)(F)F)C1CC1 ZINC000118121122 655272134 /nfs/dbraw/zinc/27/21/34/655272134.db2.gz PLOOBQUABQSOLY-UHFFFAOYSA-N 1 0 377.794 2.898 20 0 GFADRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)Nc1ccc(C)cc1Br ZINC000118125019 655272136 /nfs/dbraw/zinc/27/21/36/655272136.db2.gz JGEHELQLDMCXMB-CYBMUJFWSA-N 1 0 382.302 2.687 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000118131897 655272516 /nfs/dbraw/zinc/27/25/16/655272516.db2.gz OGIARWVJAJYLCQ-UHFFFAOYSA-N 1 0 382.302 2.687 20 0 GFADRO C[C@@H](NC(=O)N1CC[NH+](CC(C)(C)O)CC1)c1ccc(Br)cc1 ZINC000177407889 655275749 /nfs/dbraw/zinc/27/57/49/655275749.db2.gz LWDLGMZOHSIRTI-CYBMUJFWSA-N 1 0 384.318 2.608 20 0 GFADRO NS(=O)(=O)c1ccc(CC[N@@H+]2CCc3cccc(Br)c3C2)cc1 ZINC000118411424 655276081 /nfs/dbraw/zinc/27/60/81/655276081.db2.gz WCJRLPVZVVFNDB-UHFFFAOYSA-N 1 0 395.322 2.697 20 0 GFADRO CC[N@@H+]1CCCN(C(=O)c2scc(C)c2I)CC1 ZINC000276464717 655276437 /nfs/dbraw/zinc/27/64/37/655276437.db2.gz CTAUHBBTSDLLIR-UHFFFAOYSA-N 1 0 378.279 2.829 20 0 GFADRO C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)Nc2ccccc2SC(F)(F)F)C1 ZINC000118898803 655283392 /nfs/dbraw/zinc/28/33/92/655283392.db2.gz ICEDTUQFIAYXEH-NSHDSACASA-N 1 0 375.416 2.695 20 0 GFADRO C[C@H](CC[S@@](C)=O)[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000276690208 655283803 /nfs/dbraw/zinc/28/38/03/655283803.db2.gz MRIHPUYNHWXOGL-MCMMXHMISA-N 1 0 389.359 2.532 20 0 GFADRO C[C@H](CNC(=O)[C@@H]([NH3+])Cc1ccccc1)Oc1ccccc1Br ZINC000118982818 655285824 /nfs/dbraw/zinc/28/58/24/655285824.db2.gz CKQLDWMOZWERMV-CJNGLKHVSA-N 1 0 377.282 2.903 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000178006252 655295156 /nfs/dbraw/zinc/29/51/56/655295156.db2.gz LKZPEONJGPTZAA-LSDHHAIUSA-N 1 0 396.329 2.993 20 0 GFADRO CNC(=O)c1ccc(C[NH2+]C[C@H](CO)Cc2ccccc2Br)cc1 ZINC000276958019 655295186 /nfs/dbraw/zinc/29/51/86/655295186.db2.gz CUVTXBAXZBVLBV-OAHLLOKOSA-N 1 0 391.309 2.750 20 0 GFADRO Cc1ccc(C[NH2+]C2CCN(C(=O)c3cnccn3)CC2)c(Br)c1 ZINC000119285909 655297018 /nfs/dbraw/zinc/29/70/18/655297018.db2.gz JITHYJPWZBTWFS-UHFFFAOYSA-N 1 0 389.297 2.942 20 0 GFADRO O=C(c1cc2ccc(Br)cc2[nH]1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000178087528 655297377 /nfs/dbraw/zinc/29/73/77/655297377.db2.gz XGWNXUBGOVWZQG-ZDUSSCGKSA-N 1 0 392.297 2.725 20 0 GFADRO Cc1cccc(I)c1C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000119394658 655302503 /nfs/dbraw/zinc/30/25/03/655302503.db2.gz NZFQRZTXFBOTHF-ZDUSSCGKSA-N 1 0 384.261 2.910 20 0 GFADRO C[NH+](C)CC(=O)N1CCC(c2nc(-c3ccccc3Br)no2)CC1 ZINC000277139670 655305090 /nfs/dbraw/zinc/30/50/90/655305090.db2.gz VEPFUYYGGZSTDX-UHFFFAOYSA-N 1 0 393.285 2.767 20 0 GFADRO C[C@H]([NH3+])CCNC(=O)c1ccccc1N(C)C(=O)c1ccc(Br)o1 ZINC000178664306 655307404 /nfs/dbraw/zinc/30/74/04/655307404.db2.gz CAFNBEBNPPMBMH-NSHDSACASA-N 1 0 394.269 2.786 20 0 GFADRO C[C@@H]([NH3+])C1CCN(C(=O)c2cc(=O)[nH]c3ccc(Br)cc32)CC1 ZINC000178837713 655310056 /nfs/dbraw/zinc/31/00/56/655310056.db2.gz SGROTXWBCMQKIM-SNVBAGLBSA-N 1 0 378.270 2.902 20 0 GFADRO C[C@H](C(=O)Nc1ccc(Br)cc1)[N@@H+]1CCC[C@H](Cn2ccnn2)C1 ZINC000119820926 655316815 /nfs/dbraw/zinc/31/68/15/655316815.db2.gz ZDVJMOWCBNSXNB-KGLIPLIRSA-N 1 0 392.301 2.780 20 0 GFADRO O=S1(=O)CC[C@H]([NH2+]Cc2ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc2)C1 ZINC000119887892 655319818 /nfs/dbraw/zinc/31/98/18/655319818.db2.gz YPWOCEUJUMNEQD-JQWIXIFHSA-N 1 0 391.333 2.835 20 0 GFADRO C[C@H](CC(=O)N(C)C)[NH2+][C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000119905732 655320621 /nfs/dbraw/zinc/32/06/21/655320621.db2.gz PCPDATGTYVNPAR-PWSUYJOCSA-N 1 0 378.826 2.789 20 0 GFADRO CC[NH+](CC)CCCNS(=O)(=O)c1ccc(Br)c(C(C)=O)c1 ZINC000180136471 655322556 /nfs/dbraw/zinc/32/25/56/655322556.db2.gz UGPNWZIYCLZMJJ-UHFFFAOYSA-N 1 0 391.331 2.662 20 0 GFADRO C[NH+](C)CCOc1ccccc1CNS(=O)(=O)c1cccc(Cl)c1F ZINC000119972734 655323575 /nfs/dbraw/zinc/32/35/75/655323575.db2.gz XGEGPFIZQOZVQQ-UHFFFAOYSA-N 1 0 386.876 2.898 20 0 GFADRO CCC[C@@H](CC)[NH2+][C@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000180452142 655326947 /nfs/dbraw/zinc/32/69/47/655326947.db2.gz MFPMAAUREQOMRR-UKRRQHHQSA-N 1 0 376.544 2.642 20 0 GFADRO NC(=O)[C@@H]1CCC[C@H]([NH2+]Cc2nc(-c3cccc(Br)c3)c[nH]2)C1 ZINC000120101574 655327784 /nfs/dbraw/zinc/32/77/84/655327784.db2.gz IVWXQURKDCWXSA-OCCSQVGLSA-N 1 0 377.286 2.973 20 0 GFADRO O=C1C[C@]2(CCN(Cc3nc(-c4cccc(Br)c4)c[nH]3)C2)CN1 ZINC000279421760 655327776 /nfs/dbraw/zinc/32/77/76/655327776.db2.gz NHHUNFSHQRGUPB-QGZVFWFLSA-N 1 0 375.270 2.551 20 0 GFADRO Cc1nc2c(s1)[C@@H]([NH2+]CC1CCN(S(=O)(=O)C(F)F)CC1)CCC2 ZINC000180795122 655330212 /nfs/dbraw/zinc/33/02/12/655330212.db2.gz BVPWJCUIQVULPY-LBPRGKRZSA-N 1 0 379.498 2.683 20 0 GFADRO CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+]CC2([S@](C)=O)CCC2)cc1 ZINC000281137237 655332758 /nfs/dbraw/zinc/33/27/58/655332758.db2.gz UFNDEYZFLKBZRA-MYYSRTQBSA-N 1 0 386.583 2.669 20 0 GFADRO COc1ccc(C(=O)NC(C)(C)CCC[NH3+])c(I)c1 ZINC000293639369 655360610 /nfs/dbraw/zinc/36/06/10/655360610.db2.gz JKBRZKISNSRNEE-UHFFFAOYSA-N 1 0 376.238 2.547 20 0 GFADRO Cc1nc(-c2ccc(S(=O)(=O)N[C@H]3CC[N@H+](CC4CC4)C3)s2)cs1 ZINC000120461959 655336385 /nfs/dbraw/zinc/33/63/85/655336385.db2.gz ANBIEHMZQBYVID-ZDUSSCGKSA-N 1 0 383.564 2.943 20 0 GFADRO O=C(Nc1ccc(Br)cc1)C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000120542197 655338562 /nfs/dbraw/zinc/33/85/62/655338562.db2.gz JFXNFRVAULZDCR-MRXNPFEDSA-N 1 0 394.313 2.865 20 0 GFADRO O=C(Nc1ccccc1Br)C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000120613695 655340524 /nfs/dbraw/zinc/34/05/24/655340524.db2.gz VAZDRNNFHWYFIL-CQSZACIVSA-N 1 0 394.313 2.865 20 0 GFADRO CCO[C@H]1C[C@@H]([NH2+]C2CCN(S(=O)(=O)C(F)(F)F)CC2)C1(CC)CC ZINC000181884174 655340958 /nfs/dbraw/zinc/34/09/58/655340958.db2.gz YSVZWSFUGLBURD-KGLIPLIRSA-N 1 0 386.480 2.874 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)C(=O)NCc1ccc(F)c(Cl)c1)c1cccs1 ZINC000284272269 655341367 /nfs/dbraw/zinc/34/13/67/655341367.db2.gz HETIYTHQJTZJLM-AWEZNQCLSA-N 1 0 383.876 2.576 20 0 GFADRO COc1ccc(O)c([C@H](C)[NH2+]CC(=O)Nc2ccc(Br)cn2)c1 ZINC000182351879 655343584 /nfs/dbraw/zinc/34/35/84/655343584.db2.gz OBWSGBZCJCQLFW-JTQLQIEISA-N 1 0 380.242 2.848 20 0 GFADRO O=C1[C@H](c2cccc(Br)c2)CCN1CN1CC[NH+](C2CCC2)CC1 ZINC000839997935 661122987 /nfs/dbraw/zinc/12/29/87/661122987.db2.gz OVMIATJIJXOAGG-SFHVURJKSA-N 1 0 392.341 2.893 20 0 GFADRO CC(C)N(C)S(=O)(=O)c1ccc(C[NH2+]Cc2cnc([C@@H](C)O)s2)cc1 ZINC000289302128 655346010 /nfs/dbraw/zinc/34/60/10/655346010.db2.gz RAFPCMYNZMOBMB-CYBMUJFWSA-N 1 0 383.539 2.515 20 0 GFADRO [NH3+]C[C@H]1CC[C@H](CNC(=O)c2cc(F)ccc2I)CC1 ZINC000289309695 655346292 /nfs/dbraw/zinc/34/62/92/655346292.db2.gz SVZHJMYHCDQMDH-XYPYZODXSA-N 1 0 390.240 2.925 20 0 GFADRO O=C(c1cnn(-c2cccc(Br)c2)c1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000289363416 655347624 /nfs/dbraw/zinc/34/76/24/655347624.db2.gz ZMELZYVABBYYRF-GOSISDBHSA-N 1 0 389.297 2.851 20 0 GFADRO Cn1c(Cl)c(Cl)cc1C(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000183426094 655351282 /nfs/dbraw/zinc/35/12/82/655351282.db2.gz UENWDNUDVHINHL-CQSZACIVSA-N 1 0 382.291 2.829 20 0 GFADRO CC1([C@H]2CCC[N@H+](CC(=O)Nc3ccc(Br)cc3)C2)OCCO1 ZINC000183896524 655354312 /nfs/dbraw/zinc/35/43/12/655354312.db2.gz VOCHMGLAMJOHEW-ZDUSSCGKSA-N 1 0 383.286 2.863 20 0 GFADRO C[N@@H+]1CCC[C@@]2(CCN(S(=O)(=O)c3ccc(F)cc3C(F)(F)F)C2)C1 ZINC000292892256 655356287 /nfs/dbraw/zinc/35/62/87/655356287.db2.gz VGLPMOLUBRJFLS-OAHLLOKOSA-N 1 0 380.407 2.951 20 0 GFADRO CCOc1c(Br)cc(C[NH2+]CCCc2cnn(C)n2)cc1OC ZINC000293017383 655358564 /nfs/dbraw/zinc/35/85/64/655358564.db2.gz QLOANAZCDIEERH-UHFFFAOYSA-N 1 0 383.290 2.707 20 0 GFADRO CN(C)S(=O)(=O)c1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)cc1 ZINC000185275357 655363413 /nfs/dbraw/zinc/36/34/13/655363413.db2.gz SVYOPJOQVJPYJI-UHFFFAOYSA-N 1 0 383.857 2.788 20 0 GFADRO C[C@@]([NH3+])(C(=O)NC[C@H](CCO)c1ccccc1)c1ccc(Br)cc1 ZINC000293975228 655363723 /nfs/dbraw/zinc/36/37/23/655363723.db2.gz BHAAZRXQNFCJDC-KXBFYZLASA-N 1 0 391.309 2.905 20 0 GFADRO Cc1sccc1C[NH2+]Cc1ccccc1CS(=O)(=O)N1CCOCC1 ZINC000294053932 655364613 /nfs/dbraw/zinc/36/46/13/655364613.db2.gz JPCWJUWHSWEUHP-UHFFFAOYSA-N 1 0 380.535 2.508 20 0 GFADRO C[C@@H]([NH2+][C@@H]1CCN(CC(F)(F)F)C1=O)c1cc(Br)ccc1O ZINC000186021337 655367306 /nfs/dbraw/zinc/36/73/06/655367306.db2.gz SOPBOEQFEWLSFR-LDYMZIIASA-N 1 0 381.192 2.969 20 0 GFADRO COC(=O)CC[N@@H+](Cc1cccc(Br)c1)C[C@H]1CCNC(=O)CC1 ZINC000296140272 655367902 /nfs/dbraw/zinc/36/79/02/655367902.db2.gz XEOFFSFSVNOMPS-CQSZACIVSA-N 1 0 397.313 2.731 20 0 GFADRO COC(=O)N1CCC([C@H](C)[NH2+]C[C@H](O)c2cccc(Br)c2)CC1 ZINC000186392635 655369194 /nfs/dbraw/zinc/36/91/94/655369194.db2.gz DUBZXUSQJZUPQC-LRDDRELGSA-N 1 0 385.302 2.939 20 0 GFADRO CCOC(=O)N1CC[C@H]([NH2+][C@@H](C)CC(=O)Nc2ccc(Br)cc2)C1 ZINC000186445101 655369561 /nfs/dbraw/zinc/36/95/61/655369561.db2.gz TUWJHCYYYUIDMG-WFASDCNBSA-N 1 0 398.301 2.987 20 0 GFADRO CC[NH2+]CC(=O)Nc1ccc(Br)c(I)c1 ZINC000300755564 655377720 /nfs/dbraw/zinc/37/77/20/655377720.db2.gz AJXKJZXIUUKCDM-UHFFFAOYSA-N 1 0 383.027 2.602 20 0 GFADRO Cc1csc([C@](O)(CC(=O)NCC[N@H+]2CCCC[C@H]2C)C(F)(F)F)n1 ZINC000299384086 655375359 /nfs/dbraw/zinc/37/53/59/655375359.db2.gz OEUVFNXNDHSNKR-IUODEOHRSA-N 1 0 379.448 2.582 20 0 GFADRO C[C@H](Nc1ccc(CC[NH+]2CCSCC2)cc1)C(=O)NCC(F)(F)F ZINC000299390151 655375545 /nfs/dbraw/zinc/37/55/45/655375545.db2.gz GGYCNZKRZRJIBI-ZDUSSCGKSA-N 1 0 375.460 2.757 20 0 GFADRO Nn1c(SCCC[NH+]2CCCC2)nnc1-c1ccccc1Br ZINC000188194460 655378783 /nfs/dbraw/zinc/37/87/83/655378783.db2.gz SLVXFRHUUMROAD-UHFFFAOYSA-N 1 0 382.331 2.999 20 0 GFADRO NS(=O)(=O)c1cccc(C[NH2+][C@@H]2CCc3c2cccc3Br)c1 ZINC000319748872 655381865 /nfs/dbraw/zinc/38/18/65/655381865.db2.gz RRKXPTPKLLLEHG-MRXNPFEDSA-N 1 0 381.295 2.874 20 0 GFADRO COc1cccc([C@@H](CNC(=O)c2ccc(Br)nc2)[NH+](C)C)c1 ZINC000320719219 655382258 /nfs/dbraw/zinc/38/22/58/655382258.db2.gz CIOUMXBHYZSKOH-OAHLLOKOSA-N 1 0 378.270 2.885 20 0 GFADRO CC[NH+]1CCC(CNS(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2C)CC1 ZINC000325236234 655384534 /nfs/dbraw/zinc/38/45/34/655384534.db2.gz VZMXIGKSIKTSBN-UHFFFAOYSA-N 1 0 375.878 2.567 20 0 GFADRO CCC[NH+]1CCC(N2C(=O)N[C@@H](c3ccc(Br)cc3)C2=O)CC1 ZINC000349146545 655388514 /nfs/dbraw/zinc/38/85/14/655388514.db2.gz AQNKEBMIAAVGPL-HNNXBMFYSA-N 1 0 380.286 2.916 20 0 GFADRO CC1CC[NH+]([C@H](CN2C(=O)N[C@]3(CCSC3)C2=O)c2cccs2)CC1 ZINC000349305997 655389188 /nfs/dbraw/zinc/38/91/88/655389188.db2.gz RUKLCICEACSGNC-KDOFPFPSSA-N 1 0 379.551 2.949 20 0 GFADRO C[C@H](CN1C(=O)N[C@H](c2ccc(Br)cc2)C1=O)C[NH+]1CCCC1 ZINC000349362893 655389505 /nfs/dbraw/zinc/38/95/05/655389505.db2.gz KVOLZYZLWGWVQB-SWLSCSKDSA-N 1 0 380.286 2.774 20 0 GFADRO CCn1cc(S(=O)(=O)NC[C@H]2CC[N@H+](C)[C@@H]2c2cccc(Cl)c2)cn1 ZINC000363218242 655391719 /nfs/dbraw/zinc/39/17/19/655391719.db2.gz GUINNWIFNWSIGH-RHSMWYFYSA-N 1 0 382.917 2.528 20 0 GFADRO Cc1ccc([C@@H](CNC(=O)c2cc(Br)nn2C)[NH+]2CCCC2)o1 ZINC000192014764 655401844 /nfs/dbraw/zinc/40/18/44/655401844.db2.gz KQWZISQGFYIQOM-CYBMUJFWSA-N 1 0 381.274 2.651 20 0 GFADRO O=C(C[NH2+]Cc1cc(Br)cc(Br)c1)NCC1CC1 ZINC000394521229 655402338 /nfs/dbraw/zinc/40/23/38/655402338.db2.gz IBFTYNNMLCJUEB-UHFFFAOYSA-N 1 0 376.092 2.827 20 0 GFADRO COC(=O)c1c2cnn(C[N@@H+]3CC[C@@H](SC)C3)c2ccc1Br ZINC000840113083 661134864 /nfs/dbraw/zinc/13/48/64/661134864.db2.gz KIIHDBCBWRUIQT-SNVBAGLBSA-N 1 0 384.299 2.980 20 0 GFADRO Cc1cc(CNC(=O)C(=O)NCC2([NH3+])CCCCCC2)ccc1Br ZINC000418988152 655406362 /nfs/dbraw/zinc/40/63/62/655406362.db2.gz IAJCNDJGKHQYNO-UHFFFAOYSA-N 1 0 396.329 2.542 20 0 GFADRO CCOC(=O)COc1c(Br)cc(C)cc1C[NH2+][C@H](CC)[C@H](C)O ZINC000449546751 655410077 /nfs/dbraw/zinc/41/00/77/655410077.db2.gz WICRBJLILRXAJG-SWLSCSKDSA-N 1 0 388.302 2.948 20 0 GFADRO COC(=O)CN1CCC([NH2+][C@@H]2CCc3c2ccc(F)c3Br)CC1 ZINC000449547304 655410247 /nfs/dbraw/zinc/41/02/47/655410247.db2.gz HLPYMFYGEIPNNP-OAHLLOKOSA-N 1 0 385.277 2.803 20 0 GFADRO COCC[N@H+](C)CCNC(=O)N(Cc1cccc(Br)c1)CC1CC1 ZINC000473826256 655414613 /nfs/dbraw/zinc/41/46/13/655414613.db2.gz DJNVDRUFHIHUPG-UHFFFAOYSA-N 1 0 398.345 2.949 20 0 GFADRO C[N@H+](CCNC(=O)N[C@@H](CO)c1ccc(Cl)cc1C(F)(F)F)C1CC1 ZINC000474373938 655415184 /nfs/dbraw/zinc/41/51/84/655415184.db2.gz OOEGEUJWWMBXSO-AWEZNQCLSA-N 1 0 379.810 2.786 20 0 GFADRO C[C@H]1CN(C(=O)c2ccc(OC(F)(F)Cl)cc2)CC[N@@H+]1CC(C)(C)O ZINC000194887940 655418123 /nfs/dbraw/zinc/41/81/23/655418123.db2.gz JAHAAWQQLWNYTE-LBPRGKRZSA-N 1 0 376.831 2.772 20 0 GFADRO CC(C)(C)OC(=O)N1CCOC[C@@H]1C[NH2+]Cc1ccc(Br)cn1 ZINC000227707025 655422943 /nfs/dbraw/zinc/42/29/43/655422943.db2.gz XCZJUVPHUKYCOR-AWEZNQCLSA-N 1 0 386.290 2.570 20 0 GFADRO C[C@H](NC(=O)N(C)CC[C@H]1CCCC[N@@H+]1C)c1ncc(Br)cn1 ZINC000562670497 655423768 /nfs/dbraw/zinc/42/37/68/655423768.db2.gz BWORJFGRMHEYMV-GXTWGEPZSA-N 1 0 384.322 2.816 20 0 GFADRO CCN(CCC[NH2+][C@H]1CCc2cc(Br)ccc2C1)S(C)(=O)=O ZINC000236855774 655425148 /nfs/dbraw/zinc/42/51/48/655425148.db2.gz ONOJCHPMTQIFKW-INIZCTEOSA-N 1 0 389.359 2.568 20 0 GFADRO COC(=O)c1cc(S(=O)(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)c(Cl)cc1Cl ZINC000237193495 655425862 /nfs/dbraw/zinc/42/58/62/655425862.db2.gz QTXWNQRVHRPLJP-NXEZZACHSA-N 1 0 395.308 2.528 20 0 GFADRO C[NH+](C)CC1CCN(C(=O)C2(c3cccc(Br)c3)CC(=O)C2)CC1 ZINC000574207099 655426346 /nfs/dbraw/zinc/42/63/46/655426346.db2.gz MHYOQKBNUDFPPU-UHFFFAOYSA-N 1 0 393.325 2.850 20 0 GFADRO CCC[C@@H]1C[NH2+]CCN1C(=O)C1CCN(C(=O)c2ccc(Cl)s2)CC1 ZINC000574201120 655426386 /nfs/dbraw/zinc/42/63/86/655426386.db2.gz IMLKCXMFFMOBHL-CQSZACIVSA-N 1 0 383.945 2.854 20 0 GFADRO O=C(C[C@H]1CSCC[NH2+]1)N(Cc1ccccc1)C[C@H](O)c1ccsc1 ZINC000237997827 655426826 /nfs/dbraw/zinc/42/68/26/655426826.db2.gz AVAIIFADOGLHJE-ROUUACIJSA-N 1 0 376.547 2.905 20 0 GFADRO C[C@H](C(=O)Nc1cccc(Br)c1)[N@@H+]1CCC[C@@H](C2OCCO2)C1 ZINC000245389598 655427422 /nfs/dbraw/zinc/42/74/22/655427422.db2.gz IRFZDVUWSJXJRS-CHWSQXEVSA-N 1 0 383.286 2.861 20 0 GFADRO O[C@@H]1C[C@@H]([C@H]2CCCOC2)[N@H+](Cc2nc3cc(Br)ccc3o2)C1 ZINC000574269933 655427609 /nfs/dbraw/zinc/42/76/09/655427609.db2.gz UDTMYWGBQWLZLJ-LNSITVRQSA-N 1 0 381.270 2.952 20 0 GFADRO CC[NH+]1CCC(CNC(=O)C(=O)Nc2cc(Br)ccc2C)CC1 ZINC000574366701 655429827 /nfs/dbraw/zinc/42/98/27/655429827.db2.gz WPQQQTHICIXRKA-UHFFFAOYSA-N 1 0 382.302 2.544 20 0 GFADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[C@@H](O)c2cc(Cl)cc(Cl)c2)C1 ZINC000246541284 655430283 /nfs/dbraw/zinc/43/02/83/655430283.db2.gz VYDPPZSRSNQMOM-IAGOWNOFSA-N 1 0 389.323 2.890 20 0 GFADRO COCC[N@H+]1[C@H](C)CN(C[C@@H](O)COc2cc(Cl)ccc2Cl)C[C@@H]1C ZINC000246723444 655430554 /nfs/dbraw/zinc/43/05/54/655430554.db2.gz OFTWKLMOMDBPPQ-IJEWVQPXSA-N 1 0 391.339 2.774 20 0 GFADRO O[C@H](CNCc1cc(Br)cc(Br)c1)C[NH+]1CCCC1 ZINC000574789505 655430794 /nfs/dbraw/zinc/43/07/94/655430794.db2.gz ONINJNIDASTADY-CQSZACIVSA-N 1 0 392.135 2.758 20 0 GFADRO C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)c1sccc1S(=O)(=O)C(F)F ZINC000247207298 655431333 /nfs/dbraw/zinc/43/13/33/655431333.db2.gz RMLRVOTUKIZPMG-TUAOUCFPSA-N 1 0 394.509 2.841 20 0 GFADRO CO[C@@H]1CCN(C(=O)c2cc(Cl)cc(F)c2Br)[C@@H](C[NH3+])C1 ZINC000574869486 655432537 /nfs/dbraw/zinc/43/25/37/655432537.db2.gz DAPYYJPKKVYZIJ-NXEZZACHSA-N 1 0 379.657 2.820 20 0 GFADRO C[N@@H+]1CCC[C@@H]2CN(Cn3c(=O)oc4cc(F)c(Br)cc43)CC[C@H]21 ZINC000248708012 655433046 /nfs/dbraw/zinc/43/30/46/655433046.db2.gz HZJXRBZHKIGWPC-BXUZGUMPSA-N 1 0 398.276 2.870 20 0 GFADRO CCO[C@@H]1C[C@]([NH3+])(C(=O)NC[C@@H](O)c2ccc(Cl)cc2Cl)C1(C)C ZINC000249091553 655433811 /nfs/dbraw/zinc/43/38/11/655433811.db2.gz WBSUMJXFMOMQNL-CPUCHLNUSA-N 1 0 375.296 2.676 20 0 GFADRO Cc1cc(Br)cc([C@H](C)[NH2+]C[C@@H]2CC[C@@H](C(=O)N(C)C)O2)c1O ZINC000250134615 655434800 /nfs/dbraw/zinc/43/48/00/655434800.db2.gz XUMICNMEHQIKLG-WHOFXGATSA-N 1 0 385.302 2.750 20 0 GFADRO Cc1cc(S(=O)(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)sc1Br ZINC000250970262 655434959 /nfs/dbraw/zinc/43/49/59/655434959.db2.gz VECPGXUHQGBIMI-QWRGUYRKSA-N 1 0 379.345 2.724 20 0 GFADRO O[C@H](C[NH2+]CCCOC1CCOCC1)COc1c(Cl)cccc1Cl ZINC000575797269 655437230 /nfs/dbraw/zinc/43/72/30/655437230.db2.gz SEGPKDHCSWJRGJ-CYBMUJFWSA-N 1 0 378.296 2.908 20 0 GFADRO CN(C)S(=O)(=O)N1CCCC[C@@H]1C[NH2+]Cc1c(Cl)oc2ccccc21 ZINC000575900778 655439571 /nfs/dbraw/zinc/43/95/71/655439571.db2.gz NAFKXNBLIYUVEU-CYBMUJFWSA-N 1 0 385.917 2.837 20 0 GFADRO CN(CC[NH+](C)C)c1ccc(Br)cc1NC(=O)c1csc(=O)[nH]1 ZINC000575982877 655441404 /nfs/dbraw/zinc/44/14/04/655441404.db2.gz YLZAMCZZTXSAQY-UHFFFAOYSA-N 1 0 399.314 2.861 20 0 GFADRO Cc1c(Br)ccnc1NC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000576373227 655446169 /nfs/dbraw/zinc/44/61/69/655446169.db2.gz QHSZSQKOFMSOQC-CYBMUJFWSA-N 1 0 397.317 2.775 20 0 GFADRO Cc1nn(-c2ccc(C(=O)N[C@@H]3CC[NH2+]C[C@H]3C)cc2)c(C)c1Br ZINC000262789387 655447093 /nfs/dbraw/zinc/44/70/93/655447093.db2.gz MUAGCGKJNNGPGH-BDJLRTHQSA-N 1 0 391.313 2.979 20 0 GFADRO CCCC[N@H+](C)C[C@H](C)NS(=O)(=O)Cc1ccc(Br)cc1 ZINC000576856622 655453190 /nfs/dbraw/zinc/45/31/90/655453190.db2.gz KXBJDFQATVMYRM-ZDUSSCGKSA-N 1 0 377.348 2.989 20 0 GFADRO NC(=O)c1cccc(CC[NH2+]C[C@@H](O)COc2c(Cl)cccc2Cl)c1 ZINC000576864254 655453324 /nfs/dbraw/zinc/45/33/24/655453324.db2.gz QRNRJRBDWCZQLZ-CQSZACIVSA-N 1 0 383.275 2.664 20 0 GFADRO C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1NC(=O)c1[nH]nc(-c2ccccc2)c1Br ZINC000577374621 655458172 /nfs/dbraw/zinc/45/81/72/655458172.db2.gz DGYUMSPMHWOEKQ-UHIISALHSA-N 1 0 377.286 2.956 20 0 GFADRO O=S(=O)(NC[C@@H]1CCCC[N@@H+]1C1CC1)c1ccc(OC(F)(F)F)cc1 ZINC000577454187 655459989 /nfs/dbraw/zinc/45/99/89/655459989.db2.gz OPBVXVQXJMTZRA-ZDUSSCGKSA-N 1 0 378.416 2.880 20 0 GFADRO CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000577486491 655460869 /nfs/dbraw/zinc/46/08/69/655460869.db2.gz ZIQKYGCUHSBREX-CRNXPOROSA-N 1 0 396.329 2.776 20 0 GFADRO COc1ccc(Br)c(C(=O)NCC2([NH+]3CCCC3)CCOCC2)c1 ZINC000264343639 655461426 /nfs/dbraw/zinc/46/14/26/655461426.db2.gz YSHAOGGQZDEUCQ-UHFFFAOYSA-N 1 0 397.313 2.833 20 0 GFADRO NC(=O)[C@]1(c2ccccc2)CC[N@H+](Cn2ncc3c2cccc3Br)C1 ZINC000840178600 661144276 /nfs/dbraw/zinc/14/42/76/661144276.db2.gz OXBWTEBGUWHDSJ-LJQANCHMSA-N 1 0 399.292 2.885 20 0 GFADRO CC(C)COC[C@H](O)C[NH2+]C[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000577621955 655463172 /nfs/dbraw/zinc/46/31/72/655463172.db2.gz ONXBLBIPFRSDTK-CRAIPNDOSA-N 1 0 385.346 2.899 20 0 GFADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl ZINC000264436724 655463708 /nfs/dbraw/zinc/46/37/08/655463708.db2.gz BIONYACTEYXWRA-FMKPAKJESA-N 1 0 384.307 2.553 20 0 GFADRO Cc1nc(NC(=O)[C@@H]2[NH2+]CCc3ccccc32)ccc1I ZINC000577953924 655470163 /nfs/dbraw/zinc/47/01/63/655470163.db2.gz OLHZMPUZPLBGSR-OAHLLOKOSA-N 1 0 393.228 2.820 20 0 GFADRO C[C@@H](NC(=O)NC[C@H](C)[NH+]1CCC(C)CC1)c1ncc(Br)cn1 ZINC000578299823 655476056 /nfs/dbraw/zinc/47/60/56/655476056.db2.gz IVLMWBLQDRVYSS-QWHCGFSZSA-N 1 0 384.322 2.720 20 0 GFADRO CCOCCOc1ccc(Br)cc1NC(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000578423408 655478542 /nfs/dbraw/zinc/47/85/42/655478542.db2.gz YDFMSHICBJQWJH-ZDUSSCGKSA-N 1 0 386.290 2.690 20 0 GFADRO O=C(NCc1nc(-c2cccs2)no1)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000578483730 655479956 /nfs/dbraw/zinc/47/99/56/655479956.db2.gz ADDKEPYQQYKLLK-ZDUSSCGKSA-N 1 0 378.523 2.632 20 0 GFADRO COc1cc(C[N@H+](C)CCn2cc(Br)cn2)cc2c1OCCO2 ZINC000578580160 655482126 /nfs/dbraw/zinc/48/21/26/655482126.db2.gz WVILVFOYFYFDFF-UHFFFAOYSA-N 1 0 382.258 2.557 20 0 GFADRO C[NH+]1CCC(CCNC(=O)NCc2nc3c(cccc3Br)[nH]2)CC1 ZINC000578721632 655485420 /nfs/dbraw/zinc/48/54/20/655485420.db2.gz CUQDUGLIZSEBPN-UHFFFAOYSA-N 1 0 394.317 2.857 20 0 GFADRO CC[NH+](CC)CC[C@@H](CO)NC(=O)c1c(F)ccc(C)c1Br ZINC000578792236 655487223 /nfs/dbraw/zinc/48/72/23/655487223.db2.gz PDKXNUJFRSWSOL-LBPRGKRZSA-N 1 0 375.282 2.719 20 0 GFADRO CS[C@@H](CO)[C@H](C)NC(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000265961210 655494149 /nfs/dbraw/zinc/49/41/49/655494149.db2.gz RGOKJZUMMGTWRJ-YOEHRIQHSA-N 1 0 383.583 2.512 20 0 GFADRO [NH3+]C1CCC(OCC(=O)N2CCc3c(Br)ccc(F)c3C2)CC1 ZINC000579834554 655504543 /nfs/dbraw/zinc/50/45/43/655504543.db2.gz BDMAHQPGAXBCQX-UHFFFAOYSA-N 1 0 385.277 2.759 20 0 GFADRO O=C(NC[C@@H](CO)Cc1ccc(Br)cc1)C1CC[NH+](C2CC2)CC1 ZINC000579863450 655505103 /nfs/dbraw/zinc/50/51/03/655505103.db2.gz QUSWAKBSCNXWMK-HNNXBMFYSA-N 1 0 395.341 2.591 20 0 GFADRO C[C@@H](NC(=O)C(=O)N1CC[C@]2(C1)CCC[NH2+]C2)c1cccc(Cl)c1Cl ZINC000579935864 655505790 /nfs/dbraw/zinc/50/57/90/655505790.db2.gz OFGPVCGZAGEUPR-KZULUSFZSA-N 1 0 384.307 2.773 20 0 GFADRO CC[NH+](CC)CCN(C(=O)[C@@H]1[C@H]2CCCO[C@H]21)c1ccc(Br)cn1 ZINC000580197076 655509998 /nfs/dbraw/zinc/50/99/98/655509998.db2.gz QCGPTLKFXBAYAW-DJIMGWMZSA-N 1 0 396.329 2.944 20 0 GFADRO CC(C)(C)OC(=O)N1CCOC[C@H]1C[NH2+]Cc1ccncc1Br ZINC000703758589 655521992 /nfs/dbraw/zinc/52/19/92/655521992.db2.gz VOGVWFCQKHAXQB-CYBMUJFWSA-N 1 0 386.290 2.570 20 0 GFADRO C[NH+](C)C1(C)CCN(C(=O)c2ccc(I)c(O)c2)CC1 ZINC000709883452 655522386 /nfs/dbraw/zinc/52/23/86/655522386.db2.gz QQPWNRGZNSTKFF-UHFFFAOYSA-N 1 0 388.249 2.553 20 0 GFADRO C[C@@H](C[NH2+]Cc1ncc(I)s1)CC1(C)OCCO1 ZINC000715996989 655523230 /nfs/dbraw/zinc/52/32/30/655523230.db2.gz IFXWLTPDXLGZCN-SECBINFHSA-N 1 0 382.267 2.627 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)c2ccc(I)cc2)C[C@@H]1C(F)(F)F ZINC000720817764 655524762 /nfs/dbraw/zinc/52/47/62/655524762.db2.gz SDAHGMJJWYBHCX-KOLCDFICSA-N 1 0 398.166 2.500 20 0 GFADRO Cc1cccc(C(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3C)c1I ZINC000720825035 655524794 /nfs/dbraw/zinc/52/47/94/655524794.db2.gz LWNRCVCSKRPDSX-KGLIPLIRSA-N 1 0 384.261 2.908 20 0 GFADRO COc1c(Cl)cc(NC(=O)C(=O)NC[C@H](C)[NH+]2CCCCC2)cc1Cl ZINC000726291097 655532870 /nfs/dbraw/zinc/53/28/70/655532870.db2.gz AXIPOKPYDDVHGK-NSHDSACASA-N 1 0 388.295 2.931 20 0 GFADRO C[C@@H](NC(=S)NCc1cccnc1N1CC[NH+](C)CC1)c1cccs1 ZINC000726481352 655535404 /nfs/dbraw/zinc/53/54/04/655535404.db2.gz RWPQDESHBRDKFA-CQSZACIVSA-N 1 0 375.567 2.620 20 0 GFADRO CC1CCN(C(=S)SCC(=O)Nc2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC000727096367 655542117 /nfs/dbraw/zinc/54/21/17/655542117.db2.gz QVMREIJDZKZOAX-UHFFFAOYSA-N 1 0 375.523 2.956 20 0 GFADRO C[NH+](C)CC(C)(C)CNC(=S)NNc1ccc(Br)cc1F ZINC000728447414 655555640 /nfs/dbraw/zinc/55/56/40/655555640.db2.gz AYTLJRZZJROOAN-UHFFFAOYSA-N 1 0 377.327 2.967 20 0 GFADRO O[C@@H](C[NH2+][C@H]1CCCN(c2ncccn2)C1)c1ccc(Br)cc1 ZINC000728941214 655560440 /nfs/dbraw/zinc/56/04/40/655560440.db2.gz GFDWEMWYDLZKKN-HOTGVXAUSA-N 1 0 377.286 2.531 20 0 GFADRO Cc1csc([C@@](O)(CC(=O)N2CCCC[C@@H]2C[NH+](C)C)C(F)(F)F)n1 ZINC000729250136 655563559 /nfs/dbraw/zinc/56/35/59/655563559.db2.gz AGVUSVQGBYZPRJ-DOMZBBRYSA-N 1 0 379.448 2.534 20 0 GFADRO C[N@H+](CCNC(=O)/C=C\c1ccc(I)o1)C1CCCC1 ZINC000729438194 655564612 /nfs/dbraw/zinc/56/46/12/655564612.db2.gz DPYRMBNDKWDIKV-CLFYSBASSA-N 1 0 388.249 2.888 20 0 GFADRO O=C(c1sccc1SC(F)F)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000730593515 655576697 /nfs/dbraw/zinc/57/66/97/655576697.db2.gz BJCGQBXZLSWIDO-UHFFFAOYSA-N 1 0 375.510 2.916 20 0 GFADRO C[C@@H](CNC(=O)c1cnn(-c2ncccc2Cl)c1C(F)(F)Cl)[NH+](C)C ZINC000731000168 655580480 /nfs/dbraw/zinc/58/04/80/655580480.db2.gz KRJXWPCDRJBOQJ-VIFPVBQESA-N 1 0 392.237 2.889 20 0 GFADRO CC[C@@H](C)[N@H+](C)CCNS(=O)(=O)c1c(OC)ccc2nc(Cl)ccc21 ZINC000731447102 655583680 /nfs/dbraw/zinc/58/36/80/655583680.db2.gz QAVZLYSDHHTEOM-GFCCVEGCSA-N 1 0 385.917 2.905 20 0 GFADRO CO[C@H](CNC(=S)NC1CC[NH+](Cc2ccccc2)CC1)C(F)(F)F ZINC000733211388 655609413 /nfs/dbraw/zinc/60/94/13/655609413.db2.gz DKBUNIYGJOOGNX-OAHLLOKOSA-N 1 0 375.460 2.692 20 0 GFADRO COc1cc(Br)ccc1C(=O)OC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000735890248 655654622 /nfs/dbraw/zinc/65/46/22/655654622.db2.gz JFLGJVHRVHRRNO-AWEZNQCLSA-N 1 0 386.286 2.971 20 0 GFADRO CC(C)[NH+]1CCC(NC(=O)COC(=O)Cc2ccc(Br)cc2)CC1 ZINC000735960277 655656229 /nfs/dbraw/zinc/65/62/29/655656229.db2.gz NYSQCDIKKFWTHJ-UHFFFAOYSA-N 1 0 397.313 2.524 20 0 GFADRO Cc1cccc(C[NH+]2CCN(Cn3cc(I)cn3)CC2)c1 ZINC000738017508 655683505 /nfs/dbraw/zinc/68/35/05/655683505.db2.gz QNHOGPNKVZKALI-UHFFFAOYSA-N 1 0 396.276 2.571 20 0 GFADRO C[C@H](c1ccc(Cl)cc1)N1CCN(C(=S)NC2CC[NH+](C)CC2)CC1 ZINC000741875149 655708756 /nfs/dbraw/zinc/70/87/56/655708756.db2.gz MEULEWAFHGMMKK-OAHLLOKOSA-N 1 0 380.989 2.987 20 0 GFADRO Cc1ccc(/C=C/C(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)c(Br)c1 ZINC000742107117 655710064 /nfs/dbraw/zinc/71/00/64/655710064.db2.gz FTGLGDRHYKDZFZ-DWTRPJMMSA-N 1 0 393.325 2.951 20 0 GFADRO S=c1snc(-c2ccccc2)n1CN1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000742161343 655710571 /nfs/dbraw/zinc/71/05/71/655710571.db2.gz GYVQFKRIDHZRAK-HNNXBMFYSA-N 1 0 376.551 2.953 20 0 GFADRO O=S(=O)(/C=C\c1ccccc1Br)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000742274571 655713543 /nfs/dbraw/zinc/71/35/43/655713543.db2.gz DFSQSUKGGZBCBB-CHOZFAJLSA-N 1 0 385.327 2.824 20 0 GFADRO C[NH+](C)C[C@H]1CCCCN1C(=O)COc1ccc(C=O)cc1Br ZINC000742633498 655719796 /nfs/dbraw/zinc/71/97/96/655719796.db2.gz NSSZRHRQTQSBFX-CQSZACIVSA-N 1 0 383.286 2.583 20 0 GFADRO C[C@H]([NH2+]Cc1cnc(N2CCOCC2)s1)[C@@H](O)c1c(F)cccc1Cl ZINC000744446511 655740326 /nfs/dbraw/zinc/74/03/26/655740326.db2.gz AHAVKZSTNGNOGY-MEDUHNTESA-N 1 0 385.892 2.984 20 0 GFADRO COC(=O)/C(C)=C/C[NH+]1CCC(C(=O)Nc2ccc(Br)cn2)CC1 ZINC000746504069 655762780 /nfs/dbraw/zinc/76/27/80/655762780.db2.gz XQMNBDLDPOWQDA-LFYBBSHMSA-N 1 0 396.285 2.614 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2S(=O)(=O)/C=C\c1ccc(Cl)cc1 ZINC000746701869 655766694 /nfs/dbraw/zinc/76/66/94/655766694.db2.gz KIWPSDMQZUJCAE-MXKODDBBSA-N 1 0 384.929 2.824 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2S(=O)(=O)/C=C\c1ccc(Cl)cc1 ZINC000746701875 655766751 /nfs/dbraw/zinc/76/67/51/655766751.db2.gz KIWPSDMQZUJCAE-VEZIHYDBSA-N 1 0 384.929 2.824 20 0 GFADRO Cc1csc([C@@](O)(CC(=O)NC[C@H](C)[NH+]2CCCCC2)C(F)(F)F)n1 ZINC000746832321 655767687 /nfs/dbraw/zinc/76/76/87/655767687.db2.gz CINYUTXVXHHBFC-WFASDCNBSA-N 1 0 379.448 2.582 20 0 GFADRO OCCC[N@@H+]1CCC[C@H]1CNC(=S)NCCc1ccc(Cl)cc1Cl ZINC000840781005 661187224 /nfs/dbraw/zinc/18/72/24/661187224.db2.gz XTHPHZWZMBNDNP-HNNXBMFYSA-N 1 0 390.380 2.847 20 0 GFADRO C[NH+](C)[C@]1(CNc2ccc(F)cc2S(=O)(=O)C(F)(F)F)CCSC1 ZINC000748282336 655789356 /nfs/dbraw/zinc/78/93/56/655789356.db2.gz LKCJDGMENQKWGB-ZDUSSCGKSA-N 1 0 386.436 2.968 20 0 GFADRO CN(C[C@H]1CCC[N@H+](C)C1)S(=O)(=O)c1cc2ccc(Cl)nc2cc1F ZINC000750164409 655812133 /nfs/dbraw/zinc/81/21/33/655812133.db2.gz UNJLVCZDUNTUFX-LBPRGKRZSA-N 1 0 385.892 2.990 20 0 GFADRO Cc1ccc([C@H](O)C[NH2+]CCS(=O)(=O)c2cccc(Br)c2)cc1 ZINC000751044765 655820841 /nfs/dbraw/zinc/82/08/41/655820841.db2.gz WAVVCONKIWGNAG-QGZVFWFLSA-N 1 0 398.322 2.854 20 0 GFADRO COC(=O)c1cc(S(=O)(=O)NC2CCC([NH+]3CCCCC3)CC2)cs1 ZINC000751124386 655821750 /nfs/dbraw/zinc/82/17/50/655821750.db2.gz QSRCQMFZNUBXRM-UHFFFAOYSA-N 1 0 386.539 2.610 20 0 GFADRO C[C@@H]1CC[N@H+](CN2C(=O)N[C@@](C)(c3ccccc3Br)C2=O)[C@@H]1C ZINC000751939105 655836427 /nfs/dbraw/zinc/83/64/27/655836427.db2.gz CWHAJUTXUOSFPX-QFSBIZTOSA-N 1 0 380.286 2.904 20 0 GFADRO CCc1ccc([C@@H](CNC(=O)c2cnn(C)c2Br)[NH+](C)C)cc1 ZINC000753779266 655858622 /nfs/dbraw/zinc/85/86/22/655858622.db2.gz DOERMABNHQIDAT-OAHLLOKOSA-N 1 0 379.302 2.778 20 0 GFADRO COC(=O)C[C@H]([NH2+]CC(=O)N[C@@H](C)c1ccc(Br)cc1)C1CC1 ZINC000754518713 655869100 /nfs/dbraw/zinc/86/91/00/655869100.db2.gz NENOJGDEJRIASQ-NHYWBVRUSA-N 1 0 383.286 2.558 20 0 GFADRO Cc1ccc([C@@H](C)[NH2+]CC(=O)N2CCN(C(=O)c3cccs3)CC2)s1 ZINC000754672822 655871149 /nfs/dbraw/zinc/87/11/49/655871149.db2.gz HVSUWSUKJJXDBA-CQSZACIVSA-N 1 0 377.535 2.753 20 0 GFADRO Clc1cccc(-n2cc(CNC[C@H]3C[N@@H+]4CCC[C@H]4CO3)nn2)c1Cl ZINC000754828981 655874969 /nfs/dbraw/zinc/87/49/69/655874969.db2.gz JNIYORVDPMQXFH-KBPBESRZSA-N 1 0 382.295 2.527 20 0 GFADRO O=c1c(Br)nn(C[N@@H+]2CCC[C@@H](n3ccnc3)C2)c2ccccc12 ZINC000755745015 655888216 /nfs/dbraw/zinc/88/82/16/655888216.db2.gz LLFYWBGBRIQRBT-CYBMUJFWSA-N 1 0 388.269 2.650 20 0 GFADRO O=c1c(Br)nn(C[N@@H+]2CCC3(C2)CCOCC3)c2ccccc12 ZINC000755750882 655888354 /nfs/dbraw/zinc/88/83/54/655888354.db2.gz RLLVSKUMRDQEKA-UHFFFAOYSA-N 1 0 378.270 2.619 20 0 GFADRO CCOC(=O)C(F)(F)[C@@H]1CCC[C@@H]([NH2+]CC2(CS(C)(=O)=O)CCC2)C1 ZINC000840891743 661200018 /nfs/dbraw/zinc/20/00/18/661200018.db2.gz ZXPNOVRMGRJLQX-ZIAGYGMSSA-N 1 0 381.485 2.548 20 0 GFADRO Cc1ccc(N2N=C(Br)C[C@@H]2C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000756097321 655894747 /nfs/dbraw/zinc/89/47/47/655894747.db2.gz KLRSBLWFSUXUIO-XJKSGUPXSA-N 1 0 391.313 2.635 20 0 GFADRO Cc1ccc(N2N=C(Br)C[C@@H]2C(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000756097820 655894782 /nfs/dbraw/zinc/89/47/82/655894782.db2.gz CYEQTSGZZPLHQW-IJEWVQPXSA-N 1 0 393.329 2.881 20 0 GFADRO Cc1[nH+]c2ccc(Br)cc2c(N2CCCN(CC(N)=O)CC2)c1C ZINC000757841913 655917558 /nfs/dbraw/zinc/91/75/58/655917558.db2.gz GFGLGNCBTZWSGU-UHFFFAOYSA-N 1 0 391.313 2.612 20 0 GFADRO C[N@H+](CCNC(=O)c1cccnc1I)C1CCCCC1 ZINC000757848386 655917582 /nfs/dbraw/zinc/91/75/82/655917582.db2.gz VCVVFGTZBQJCCD-UHFFFAOYSA-N 1 0 387.265 2.681 20 0 GFADRO O=C(Nc1cncc(Br)c1)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000757913455 655918477 /nfs/dbraw/zinc/91/84/77/655918477.db2.gz VPSXEAXYUBTFQN-HNNXBMFYSA-N 1 0 383.290 2.609 20 0 GFADRO Cn1nc(Br)cc1C(=O)NC[C@@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000758057308 655922203 /nfs/dbraw/zinc/92/22/03/655922203.db2.gz OGDYJIXYVYSMCL-INIZCTEOSA-N 1 0 391.313 2.823 20 0 GFADRO C[NH+](C)[C@]1(CNC(=O)Nc2nc(-c3ccc(F)cc3)ns2)CCSC1 ZINC000758085276 655922839 /nfs/dbraw/zinc/92/28/39/655922839.db2.gz RVUZOGVZKADRIR-INIZCTEOSA-N 1 0 381.502 2.903 20 0 GFADRO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)c1cccnc1I ZINC000758107901 655922975 /nfs/dbraw/zinc/92/29/75/655922975.db2.gz DFZDCCBZPXSRIP-RYUDHWBXSA-N 1 0 387.265 2.679 20 0 GFADRO Cc1n[nH]c(C(=O)N[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)c1Br ZINC000758202808 655925985 /nfs/dbraw/zinc/92/59/85/655925985.db2.gz PNQYRQLOUFWUCF-SMDDNHRTSA-N 1 0 377.286 2.873 20 0 GFADRO CC(C)OC(=O)N1CCC([NH2+]Cc2c(Cl)cccc2S(C)(=O)=O)CC1 ZINC000758311168 655929275 /nfs/dbraw/zinc/92/92/75/655929275.db2.gz VAQGENHDCVMUFG-UHFFFAOYSA-N 1 0 388.917 2.843 20 0 GFADRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)c1cnn(-c2ccccc2)c1Br ZINC000760178296 655971273 /nfs/dbraw/zinc/97/12/73/655971273.db2.gz UKYJISIVIYZTQW-ZDUSSCGKSA-N 1 0 389.297 2.849 20 0 GFADRO O=C(NC1CC[NH+](C[C@H]2CCCO2)CC1)c1cccc(Br)c1F ZINC000760332344 655976166 /nfs/dbraw/zinc/97/61/66/655976166.db2.gz MEUKYLWDYNJDFN-CYBMUJFWSA-N 1 0 385.277 2.961 20 0 GFADRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1cnn(-c2ccccc2)c1Br ZINC000760373836 655977856 /nfs/dbraw/zinc/97/78/56/655977856.db2.gz YQWMPZOMUOWOGC-MLGOLLRUSA-N 1 0 389.297 2.847 20 0 GFADRO C[NH+]1CCC(CNC(=S)NCCOc2ccc(C(F)(F)F)cc2)CC1 ZINC000760469010 655981727 /nfs/dbraw/zinc/98/17/27/655981727.db2.gz YNJPVVMCOTZDJA-UHFFFAOYSA-N 1 0 375.460 2.890 20 0 GFADRO C[C@@H]1C[C@@H](N2C(=O)N[C@H](c3ccc(Br)cc3)C2=O)C[N@@H+]1C1CC1 ZINC000762096363 656031232 /nfs/dbraw/zinc/03/12/32/656031232.db2.gz HMMITANDMRTSSH-VCTAVGKDSA-N 1 0 378.270 2.667 20 0 GFADRO C[C@@H](C1=CC[N@H+](C)CC1)N1C(=O)N[C@](C)(c2cccc(Br)c2)C1=O ZINC000762318820 656039055 /nfs/dbraw/zinc/03/90/55/656039055.db2.gz YVYRIGKVIZLLRC-KPZWWZAWSA-N 1 0 392.297 2.867 20 0 GFADRO C[N@@H+]1CC[C@](O)(CNC(=O)Nc2ccc3cc(Br)ccc3c2)C1 ZINC000762870180 656061856 /nfs/dbraw/zinc/06/18/56/656061856.db2.gz ZFUQKQQATNADKP-KRWDZBQOSA-N 1 0 378.270 2.790 20 0 GFADRO COc1ccc(C(=O)N[C@@H](C[NH+](C)C)C(C)C)cc1I ZINC000763386297 656081906 /nfs/dbraw/zinc/08/19/06/656081906.db2.gz KJTWISPYBLGTGP-ZDUSSCGKSA-N 1 0 390.265 2.616 20 0 GFADRO C[C@H](CC[NH+](C)C)NC(=O)C(=O)Nc1ccc2cc(Br)ccc2c1 ZINC000764254470 656106187 /nfs/dbraw/zinc/10/61/87/656106187.db2.gz RIDLPCYKBXPGQT-GFCCVEGCSA-N 1 0 392.297 2.997 20 0 GFADRO O=C(Nc1cc2c(cc1Br)OCCO2)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000841013949 661226997 /nfs/dbraw/zinc/22/69/97/661226997.db2.gz BSIAYCPIWHLKIR-KRWDZBQOSA-N 1 0 396.285 2.828 20 0 GFADRO C[C@H](Cc1ccc(F)c(Br)c1)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000765337261 656140442 /nfs/dbraw/zinc/14/04/42/656140442.db2.gz NJKMKEBMNRXAGD-VHDGCEQUSA-N 1 0 399.304 2.746 20 0 GFADRO COC(=O)N1CCC[C@H]([NH2+][C@@H](C)CC(=O)Nc2cccc(Br)c2)C1 ZINC000765629969 656146262 /nfs/dbraw/zinc/14/62/62/656146262.db2.gz KSZURIRZKZRJND-WFASDCNBSA-N 1 0 398.301 2.987 20 0 GFADRO CC[N@@H+]1C[C@H](C)N(C(=O)C[C@](O)(c2nc(C)cs2)C(F)(F)F)C[C@@H]1C ZINC000765925914 656154923 /nfs/dbraw/zinc/15/49/23/656154923.db2.gz RPFXQMJAGCBCPL-HUBLWGQQSA-N 1 0 379.448 2.533 20 0 GFADRO COCCC[C@H]([NH2+]C[C@@H](O)c1cnn(C)c1)c1ccc(Br)cc1 ZINC000766183879 656164137 /nfs/dbraw/zinc/16/41/37/656164137.db2.gz MCTZAGXPFIZMIT-DLBZAZTESA-N 1 0 382.302 2.974 20 0 GFADRO CS[C@@H]1CC[C@H]([NH2+][C@H](C)c2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 ZINC000766225130 656165744 /nfs/dbraw/zinc/16/57/44/656165744.db2.gz QUSRNMCAVPGSOP-HYVNUMGLSA-N 1 0 384.567 2.642 20 0 GFADRO O=C1OCCN1CCC[NH+]1CCN(CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000766269038 656167164 /nfs/dbraw/zinc/16/71/64/656167164.db2.gz LGPOCVTXARQKRZ-UHFFFAOYSA-N 1 0 386.323 2.996 20 0 GFADRO COCCNc1nn(CN2C[C@H]([NH+](C)C)Cc3ccccc32)c(=S)s1 ZINC000766339861 656169189 /nfs/dbraw/zinc/16/91/89/656169189.db2.gz MRFSAGRVBAKYCO-CQSZACIVSA-N 1 0 379.555 2.683 20 0 GFADRO COc1cc([C@H](C)[NH2+]CCN2CC[C@H](C)C2)ccc1S(=O)(=O)C(F)F ZINC000766380008 656170133 /nfs/dbraw/zinc/17/01/33/656170133.db2.gz BKNYGWYRYOEWIS-STQMWFEESA-N 1 0 376.469 2.684 20 0 GFADRO CC[C@@H]1CCC[C@H]1[NH2+][C@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000766572087 656176592 /nfs/dbraw/zinc/17/65/92/656176592.db2.gz GSEUACJWWZZLOO-CKEIUWERSA-N 1 0 388.555 2.642 20 0 GFADRO CS[C@@H]1CN(S(=O)(=O)c2ccc3nc(Cl)sc3c2)C[C@H]1[NH+](C)C ZINC000767315052 656199458 /nfs/dbraw/zinc/19/94/58/656199458.db2.gz KNIFQESQPYWPRC-DGCLKSJQSA-N 1 0 391.971 2.616 20 0 GFADRO CC[C@H](SC)C(=O)OCC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000767669136 656213501 /nfs/dbraw/zinc/21/35/01/656213501.db2.gz AUMRVNFZAIYVTP-INIZCTEOSA-N 1 0 382.551 2.859 20 0 GFADRO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+][C@H]1CCCC(F)(F)C1 ZINC000767929907 656227978 /nfs/dbraw/zinc/22/79/78/656227978.db2.gz SEMXESFZMJCRPK-RYUDHWBXSA-N 1 0 381.876 2.872 20 0 GFADRO O=C(NC[C@@H]1CCC[NH2+]C1)C(=O)Nc1ccc2cc(Br)ccc2c1 ZINC000841157602 661239732 /nfs/dbraw/zinc/23/97/32/661239732.db2.gz HMITZPLLLRYHHR-GFCCVEGCSA-N 1 0 390.281 2.657 20 0 GFADRO CCCN(C(=O)C(=O)Nc1ccc2nc(SC)sc2c1)[C@H]1CC[NH2+]C1 ZINC000841167058 661240856 /nfs/dbraw/zinc/24/08/56/661240856.db2.gz CIFVJLCNFXWZAY-LBPRGKRZSA-N 1 0 378.523 2.557 20 0 GFADRO CC(C)(C[NH3+])NC(=O)C(=O)Nc1ccccc1SC[C@@H]1CC1(Cl)Cl ZINC000841172041 661241142 /nfs/dbraw/zinc/24/11/42/661241142.db2.gz YWTCRSPKPWRTHA-JTQLQIEISA-N 1 0 390.336 2.765 20 0 GFADRO C[C@@H](C[NH3+])CNC(=O)C(=O)Nc1ccccc1SC[C@H]1CC1(Cl)Cl ZINC000841196435 661243498 /nfs/dbraw/zinc/24/34/98/661243498.db2.gz JJNVUEAOHRFNED-WDEREUQCSA-N 1 0 390.336 2.622 20 0 GFADRO C[C@@H]1CN(C(=O)C(=O)Nc2cccc(Cl)c2SC(F)F)[C@@H](C)C[NH2+]1 ZINC000841206436 661244499 /nfs/dbraw/zinc/24/44/99/661244499.db2.gz KBRFYKGNESDUNV-BDAKNGLRSA-N 1 0 377.844 2.802 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2cccc(Cl)c2SC(F)F)CC[NH2+]1 ZINC000841230161 661246357 /nfs/dbraw/zinc/24/63/57/661246357.db2.gz LTOLOTLPXOUVPJ-BDAKNGLRSA-N 1 0 377.844 2.850 20 0 GFADRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1nccn2c(Br)cnc12 ZINC000769743730 656288879 /nfs/dbraw/zinc/28/88/79/656288879.db2.gz OROPUIMUMIAVRU-CYBMUJFWSA-N 1 0 394.317 2.876 20 0 GFADRO CCCN(C(=O)c1cccs1)C1CCN(C(=S)NCC[NH+](C)C)CC1 ZINC000769796847 656292093 /nfs/dbraw/zinc/29/20/93/656292093.db2.gz WRCBIGWACALEKV-UHFFFAOYSA-N 1 0 382.599 2.501 20 0 GFADRO C[NH+](C)CC[C@@H](NC(=O)c1nccn2c(Br)cnc12)C(C)(C)C ZINC000769864478 656295997 /nfs/dbraw/zinc/29/59/97/656295997.db2.gz WQBFNSGOCZKGDK-LLVKDONJSA-N 1 0 382.306 2.588 20 0 GFADRO C[NH+]1CCN(CCC(C)(C)Nc2ccc(S(=O)(=O)C(F)F)cc2)CC1 ZINC000770229196 656311381 /nfs/dbraw/zinc/31/13/81/656311381.db2.gz UPKPPQQOHSUYRO-UHFFFAOYSA-N 1 0 375.485 2.511 20 0 GFADRO CN(CC[N@H+](C)C1CC1)C(=O)c1cnn(-c2ccccc2)c1Br ZINC000771743803 656360963 /nfs/dbraw/zinc/36/09/63/656360963.db2.gz OHTWDRYYYLQWRA-UHFFFAOYSA-N 1 0 377.286 2.801 20 0 GFADRO CS(=O)(=O)c1csc(C(=O)OCC2CC[NH+](Cc3ccco3)CC2)c1 ZINC000772685427 656385886 /nfs/dbraw/zinc/38/58/86/656385886.db2.gz ODPDBSBAOGIKIG-UHFFFAOYSA-N 1 0 383.491 2.814 20 0 GFADRO CC(C)(CNS(=O)(=O)c1ccc2nc(Cl)cnc2c1)[NH+]1CCCCC1 ZINC000772920042 656393569 /nfs/dbraw/zinc/39/35/69/656393569.db2.gz UTGAVMSMIIWNEC-UHFFFAOYSA-N 1 0 382.917 2.826 20 0 GFADRO COc1cc(C)ccc1[C@@H](C)[NH2+]CC1CCN(S(=O)(=O)C(F)F)CC1 ZINC000772974772 656396017 /nfs/dbraw/zinc/39/60/17/656396017.db2.gz DXDRMOCRNFBPOA-CYBMUJFWSA-N 1 0 376.469 2.919 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCO[C@]2(CCOC2)C1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000773150998 656401523 /nfs/dbraw/zinc/40/15/23/656401523.db2.gz PFIKMOZWCBQFCG-DXCKQFNASA-N 1 0 375.437 2.672 20 0 GFADRO C[C@@H]1CC[N@H+](CCNC(=O)c2cnn(-c3ccccc3)c2Br)C1 ZINC000773223854 656404744 /nfs/dbraw/zinc/40/47/44/656404744.db2.gz NRLHOTCGXQESIU-CYBMUJFWSA-N 1 0 377.286 2.706 20 0 GFADRO CN(Cn1c(=O)oc2cc(Br)c(F)cc21)CC1([NH+](C)C)CCC1 ZINC000773325623 656412566 /nfs/dbraw/zinc/41/25/66/656412566.db2.gz NMGZYDUTUUPUPM-UHFFFAOYSA-N 1 0 386.265 2.870 20 0 GFADRO CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)Cc1cc[nH]c(=O)c1Br ZINC000773998195 656481872 /nfs/dbraw/zinc/48/18/72/656481872.db2.gz MMVUATZVDYCKLD-UHFFFAOYSA-N 1 0 392.297 2.812 20 0 GFADRO Cc1nc(Br)ccc1NC(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000774072298 656487956 /nfs/dbraw/zinc/48/79/56/656487956.db2.gz LQRMUSPJNYNXGM-CQSZACIVSA-N 1 0 397.317 2.917 20 0 GFADRO CCO[C@@H](CC[NH+](C)C)CNS(=O)(=O)c1ccc2sc(Cl)nc2c1 ZINC000841503521 661276929 /nfs/dbraw/zinc/27/69/29/661276929.db2.gz PCUJPHLVAQCVSC-NSHDSACASA-N 1 0 391.946 2.585 20 0 GFADRO Cc1cc(Br)cc(C[NH2+][C@H]2CCO[C@]3(CCS(=O)(=O)C3)C2)c1 ZINC000775015641 656586986 /nfs/dbraw/zinc/58/69/86/656586986.db2.gz JEVZBKGCVUPDPE-JKSUJKDBSA-N 1 0 388.327 2.583 20 0 GFADRO C[C@H]([NH2+]C(C)(C)CNC(=O)C(=O)NC[C@H]1CC1(Cl)Cl)c1ccccc1 ZINC000775156817 656604896 /nfs/dbraw/zinc/60/48/96/656604896.db2.gz AOTRGRPXOKAVRE-GXTWGEPZSA-N 1 0 386.323 2.542 20 0 GFADRO CC(C)C[C@@H](O)C[NH2+][C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000775498135 656644385 /nfs/dbraw/zinc/64/43/85/656644385.db2.gz XEIBKCCHMGTJQJ-OCCSQVGLSA-N 1 0 376.316 2.664 20 0 GFADRO CS[C@H]1CN(C(=O)c2cc(Cl)c3c(c2)OCCO3)C[C@@H]1[NH+]1CCCC1 ZINC000776209868 656720434 /nfs/dbraw/zinc/72/04/34/656720434.db2.gz AIYHIEJJZMMFER-HOCLYGCPSA-N 1 0 382.913 2.763 20 0 GFADRO C[C@H]([NH2+]C[C@@H]1CCC[C@@]12NC(=O)N(C)C2=O)c1cc(Cl)c(N)c(Cl)c1 ZINC000777125602 656811444 /nfs/dbraw/zinc/81/14/44/656811444.db2.gz LERQQNXTUCAOAW-LTHLMHMASA-N 1 0 385.295 2.947 20 0 GFADRO CS(=O)(=O)N1CC(C[NH2+][C@@H]2CCC[C@H]2c2ccccc2C(F)(F)F)C1 ZINC000779078808 656898564 /nfs/dbraw/zinc/89/85/64/656898564.db2.gz XIDOURGKBGCRCS-GOEBONIOSA-N 1 0 376.444 2.823 20 0 GFADRO CN(Cc1c(Cl)nc(Cl)n1C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000779225044 656907786 /nfs/dbraw/zinc/90/77/86/656907786.db2.gz NGNUYBVWDVNKNK-GOSISDBHSA-N 1 0 383.323 2.796 20 0 GFADRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=S)Nc1ccc(Br)cc1 ZINC000780208270 656991120 /nfs/dbraw/zinc/99/11/20/656991120.db2.gz LVUAZPWWXXYALL-GFCCVEGCSA-N 1 0 386.359 2.923 20 0 GFADRO FC(F)Oc1ccc(NC(=S)NCC[N@@H+]2CCCOCC2)cc1Cl ZINC000782210809 657116324 /nfs/dbraw/zinc/11/63/24/657116324.db2.gz SJNNGCNXPPOPLY-UHFFFAOYSA-N 1 0 379.860 2.950 20 0 GFADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1Cn1nc(C(F)(F)F)sc1=S ZINC000782900319 657191747 /nfs/dbraw/zinc/19/17/47/657191747.db2.gz WLUCTJPZYMWLNP-JTQLQIEISA-N 1 0 382.477 2.835 20 0 GFADRO C[C@@H](Cc1ccsc1)[NH+]1CCN(c2ccc(NS(C)(=O)=O)cc2)CC1 ZINC000783505654 657235545 /nfs/dbraw/zinc/23/55/45/657235545.db2.gz VMGFLGMNRNVZAX-HNNXBMFYSA-N 1 0 379.551 2.873 20 0 GFADRO C[NH+]1CCN(CCCNC(=S)Nc2cccc(OC(F)(F)F)c2)CC1 ZINC000783716884 657253309 /nfs/dbraw/zinc/25/33/09/657253309.db2.gz AYNFOCBBUOZSDK-UHFFFAOYSA-N 1 0 376.448 2.509 20 0 GFADRO CN1CC[NH+](CCCCNC(=S)Nc2ccc(Br)cc2)CC1 ZINC000783723914 657254747 /nfs/dbraw/zinc/25/47/47/657254747.db2.gz YLNGSPYXQIVJHN-UHFFFAOYSA-N 1 0 385.375 2.763 20 0 GFADRO C[C@@H]1CCC[N@@H+]1CCNC(=O)c1ccc(-n2cc(Br)cn2)cc1 ZINC000783920754 657274279 /nfs/dbraw/zinc/27/42/79/657274279.db2.gz OJTGHWXLTKRAEX-CYBMUJFWSA-N 1 0 377.286 2.849 20 0 GFADRO CC1([C@H]2CCC[N@H+](Cn3c4ccc(Br)cc4oc3=O)C2)OCCO1 ZINC000784036161 657283218 /nfs/dbraw/zinc/28/32/18/657283218.db2.gz IFXSXCJAJRSAED-LBPRGKRZSA-N 1 0 397.269 2.790 20 0 GFADRO COC(=O)c1ccc(Cl)c(S(=O)(=O)NCC[C@@H](C)[NH+]2CCCCC2)c1 ZINC000784473380 657311471 /nfs/dbraw/zinc/31/14/71/657311471.db2.gz SIEKKCFZEYWZGF-CYBMUJFWSA-N 1 0 388.917 2.669 20 0 GFADRO COC(=O)c1ccc(CNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)c(Br)c1 ZINC000785849711 657389857 /nfs/dbraw/zinc/38/98/57/657389857.db2.gz OFTLRQXBCBQFBM-TXEJJXNPSA-N 1 0 383.286 2.725 20 0 GFADRO COC(=O)c1ccc(CNC(=O)C[NH+]2CCC(C)CC2)c(Br)c1 ZINC000785853558 657390806 /nfs/dbraw/zinc/39/08/06/657390806.db2.gz SRYOMKBBPKQNMB-UHFFFAOYSA-N 1 0 383.286 2.584 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CNC(=O)NCc1ccc(C(=O)OC)cc1Br ZINC000785870288 657391196 /nfs/dbraw/zinc/39/11/96/657391196.db2.gz SAKBJHBQPYSSCJ-AWEZNQCLSA-N 1 0 398.301 2.519 20 0 GFADRO C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1[NH2+]Cc1ccc(S(C)(=O)=O)s1 ZINC000786964183 657497164 /nfs/dbraw/zinc/49/71/64/657497164.db2.gz VTKQXVQJPTUWQJ-GXTWGEPZSA-N 1 0 388.555 2.887 20 0 GFADRO CS[C@H]1CN(C(=O)c2nc(Br)ccc2C)C[C@@H]1[NH+]1CCCC1 ZINC000787270419 657536287 /nfs/dbraw/zinc/53/62/87/657536287.db2.gz POEPORDYVPWBOH-STQMWFEESA-N 1 0 384.343 2.804 20 0 GFADRO Cc1sc(Br)nc1C(=O)Nc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000788272037 657686604 /nfs/dbraw/zinc/68/66/04/657686604.db2.gz RGOXDKCZZACPKS-UHFFFAOYSA-N 1 0 396.314 2.613 20 0 GFADRO CC(C)C[C@H](CNC(=O)OC(C)(C)C)[NH2+][C@H]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000788594536 657749117 /nfs/dbraw/zinc/74/91/17/657749117.db2.gz VZBNKCHKQLEODZ-ARFHVFGLSA-N 1 0 376.563 2.871 20 0 GFADRO Cc1cc(C)cc([C@@H](O)C[NH2+][C@H](C)Cn2cc(Br)ccc2=O)c1 ZINC000788818552 657787310 /nfs/dbraw/zinc/78/73/10/657787310.db2.gz PWENOFGAALOEFU-PBHICJAKSA-N 1 0 379.298 2.939 20 0 GFADRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NS(=O)(=O)c1ccc2nc(Cl)cnc2c1 ZINC000788911378 657795699 /nfs/dbraw/zinc/79/56/99/657795699.db2.gz AWTZSOHAQFWFNS-STQMWFEESA-N 1 0 382.917 2.682 20 0 GFADRO Cc1nn(C)c(Cl)c1S(=O)(=O)N[C@@H](C)[C@H](c1ccccc1C)[NH+](C)C ZINC000788914337 657796599 /nfs/dbraw/zinc/79/65/99/657796599.db2.gz CDDNBVVLTUWCTB-SWLSCSKDSA-N 1 0 384.933 2.660 20 0 GFADRO Cc1ccc(S(=O)(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)c(Cl)n1 ZINC000790019910 657910984 /nfs/dbraw/zinc/91/09/84/657910984.db2.gz TVAKONCXEJADIJ-INIZCTEOSA-N 1 0 379.913 2.986 20 0 GFADRO C[NH+](C)CCCOC(=O)[C@H](c1ccc(Cl)cc1Cl)N1CCOCC1 ZINC000791969994 658213351 /nfs/dbraw/zinc/21/33/51/658213351.db2.gz HDRKJTUPTHSZJE-INIZCTEOSA-N 1 0 375.296 2.862 20 0 GFADRO CCS(=O)(=O)CC[NH2+][C@H](C)CCc1ccc(I)cc1 ZINC000792957537 658334443 /nfs/dbraw/zinc/33/44/43/658334443.db2.gz SATZBNRFMWVYSB-GFCCVEGCSA-N 1 0 395.306 2.637 20 0 GFADRO CC(C)(C)OC(=O)NCC[C@H](O)C[NH2+]Cc1cc(Br)cs1 ZINC000792957019 658334452 /nfs/dbraw/zinc/33/44/52/658334452.db2.gz AZGDZLINALVPQN-NSHDSACASA-N 1 0 379.320 2.876 20 0 GFADRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)Nc1cccc(Br)n1 ZINC000792989837 658342019 /nfs/dbraw/zinc/34/20/19/658342019.db2.gz ZKOTUPFRRIZFCK-CYBMUJFWSA-N 1 0 397.317 2.553 20 0 GFADRO C[C@@H]1CN(C(=S)NCC[NH+](C)C)C[C@@H](c2cccc(C(F)(F)F)c2)O1 ZINC000793288885 658381421 /nfs/dbraw/zinc/38/14/21/658381421.db2.gz RPZSEOLVLXEOHQ-DOMZBBRYSA-N 1 0 375.460 2.903 20 0 GFADRO Cc1cc([C@@H](C)[NH2+]CCCNC(=O)c2ccc(Br)cc2)n(C)n1 ZINC000793523130 658402286 /nfs/dbraw/zinc/40/22/86/658402286.db2.gz CYKFKEMPRAJUPB-CYBMUJFWSA-N 1 0 379.302 2.962 20 0 GFADRO Cc1cc([C@@H](C)[NH2+]CCCNC(=O)c2cccc(Br)c2)n(C)n1 ZINC000793529852 658402444 /nfs/dbraw/zinc/40/24/44/658402444.db2.gz XTZXINZQMGLPMH-CYBMUJFWSA-N 1 0 379.302 2.962 20 0 GFADRO C[C@@H](O)C[N@@H+]1CCN(C(=O)Cc2ccc(Cl)cc2Br)[C@@H](C)C1 ZINC000793874490 658453666 /nfs/dbraw/zinc/45/36/66/658453666.db2.gz LVWYODNEJPNIER-NWDGAFQWSA-N 1 0 389.721 2.559 20 0 GFADRO Cc1c(NC(=O)NCCNc2cc[nH+]cc2)cnc(Cl)c1Br ZINC000794286136 658511728 /nfs/dbraw/zinc/51/17/28/658511728.db2.gz UNDBYLINCCPMRZ-UHFFFAOYSA-N 1 0 384.665 2.856 20 0 GFADRO CCNS(=O)(=O)CC[NH2+][C@@H]1C[C@H](C)CCc2ccc(Br)cc21 ZINC000794808690 658617111 /nfs/dbraw/zinc/61/71/11/658617111.db2.gz BOVGJDUDKAFEBP-MLGOLLRUSA-N 1 0 389.359 2.992 20 0 GFADRO C[C@@H](CCc1ccc(I)cc1)[NH2+]C1CCN(C=O)CC1 ZINC000794833887 658620137 /nfs/dbraw/zinc/62/01/37/658620137.db2.gz MMDWEDQKVATJHG-ZDUSSCGKSA-N 1 0 386.277 2.823 20 0 GFADRO COC(=O)[C@H]1[C@@H]2C[N@@H+](Cc3ccnc(-c4ccc(Br)cc4)n3)C[C@@H]21 ZINC000794964755 658640937 /nfs/dbraw/zinc/64/09/37/658640937.db2.gz TXDRPLZXYZOJOG-ZSHCYNCHSA-N 1 0 388.265 2.757 20 0 GFADRO C[NH+]1CCC(NC(=S)NCCc2cccc(OCC(F)(F)F)c2)CC1 ZINC000795034902 658652056 /nfs/dbraw/zinc/65/20/56/658652056.db2.gz UFUKXLWBSSKEBB-UHFFFAOYSA-N 1 0 375.460 2.729 20 0 GFADRO C[C@H]1CN(C(=O)C[NH2+][C@@H]2c3cccc(Br)c3CC2(C)C)CCO1 ZINC000795122956 658682139 /nfs/dbraw/zinc/68/21/39/658682139.db2.gz MTCQBDDCDUNUOX-YVEFUNNKSA-N 1 0 381.314 2.909 20 0 GFADRO Cc1cc(I)cc(NC(=S)NC2CC[NH+](C)CC2)c1 ZINC000795140828 658688595 /nfs/dbraw/zinc/68/85/95/658688595.db2.gz AOTDVKZVHXXEJF-UHFFFAOYSA-N 1 0 389.306 2.980 20 0 GFADRO Cc1cc(CC(C)(C)[NH2+]CC(=O)N2CCO[C@H](C)C2)ccc1Br ZINC000795193334 658707422 /nfs/dbraw/zinc/70/74/22/658707422.db2.gz OPOFUTSBJSUOCB-CQSZACIVSA-N 1 0 383.330 2.916 20 0 GFADRO O=C1c2c(cccc2Br)CN1CN1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000795430729 658818408 /nfs/dbraw/zinc/81/84/08/658818408.db2.gz GLXKDZWGBPNSBU-AWEZNQCLSA-N 1 0 378.314 2.780 20 0 GFADRO COC(=O)N1CCC(C[NH2+]Cc2cccc(I)c2)CC1 ZINC000796499686 658920647 /nfs/dbraw/zinc/92/06/47/658920647.db2.gz ARIMUXYRRKHJEE-UHFFFAOYSA-N 1 0 388.249 2.859 20 0 GFADRO Cc1c(C[NH2+]C[C@H]2CCCCN2S(C)(=O)=O)sc2nc(C)nc(C)c12 ZINC000796513453 658921219 /nfs/dbraw/zinc/92/12/19/658921219.db2.gz MTIWBJFPKHIPPV-CQSZACIVSA-N 1 0 382.555 2.520 20 0 GFADRO FC(F)(F)[C@@H](C[NH2+]Cc1c(Cl)nc2cc(Cl)ccn21)N1CCOCC1 ZINC000796517020 658921682 /nfs/dbraw/zinc/92/16/82/658921682.db2.gz RBYJCGIPWZYEMW-GFCCVEGCSA-N 1 0 397.228 2.994 20 0 GFADRO CC(C)([NH2+]C[C@@H](O)COc1c(Cl)cccc1Cl)C(=O)N1CCCC1 ZINC000796591197 658925596 /nfs/dbraw/zinc/92/55/96/658925596.db2.gz BOAWIGLFWSMHRG-GFCCVEGCSA-N 1 0 375.296 2.724 20 0 GFADRO C[C@@H]([NH2+]CCn1cc(Br)cn1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000797115482 658982170 /nfs/dbraw/zinc/98/21/70/658982170.db2.gz DRINSTDLMBNOOY-CRAIPNDOSA-N 1 0 393.329 2.525 20 0 GFADRO Cc1nn(CCS(C)(=O)=O)c(C)c1C[NH2+]C1(c2ccc(Cl)cc2)CC1 ZINC000797977832 659069287 /nfs/dbraw/zinc/06/92/87/659069287.db2.gz DBHSUJKNIRAYBQ-UHFFFAOYSA-N 1 0 381.929 2.977 20 0 GFADRO C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCN2Cn2cc(I)cn2)C1 ZINC000799157167 659169118 /nfs/dbraw/zinc/16/91/18/659169118.db2.gz POUIPNNAAQJZRV-RZFFKMDDSA-N 1 0 389.281 2.707 20 0 GFADRO C[C@@H]([NH2+]CCNS(=O)(=O)c1ccc(F)cc1F)c1ccnc(Cl)c1 ZINC000799724950 659217375 /nfs/dbraw/zinc/21/73/75/659217375.db2.gz BQRHLZPZAHEGII-SNVBAGLBSA-N 1 0 375.828 2.642 20 0 GFADRO Cc1cc(Br)cc(C[NH2+][C@@H]2CCC[C@H]2CNS(C)(=O)=O)c1 ZINC000800309339 659300174 /nfs/dbraw/zinc/30/01/74/659300174.db2.gz HYYKWYYOQHZCBZ-DZGCQCFKSA-N 1 0 375.332 2.565 20 0 GFADRO CC[C@](O)(C(=O)N1C[C@@H](SC)[C@@H]([NH+]2CCCC2)C1)c1cccc(Cl)c1 ZINC000800533934 659315242 /nfs/dbraw/zinc/31/52/42/659315242.db2.gz FYJCWPPFKXAJSD-YQVWRLOYSA-N 1 0 382.957 2.976 20 0 GFADRO Nc1nccc([C@@H]2CCC[N@H+](C[C@@H](O)c3ccccc3Br)C2)n1 ZINC000801551058 659403591 /nfs/dbraw/zinc/40/35/91/659403591.db2.gz MGFZKBFXCXESJV-MLGOLLRUSA-N 1 0 377.286 2.734 20 0 GFADRO Nc1nccc([C@H]2CCC[N@H+](C[C@H](O)c3ccccc3Br)C2)n1 ZINC000801551056 659403829 /nfs/dbraw/zinc/40/38/29/659403829.db2.gz MGFZKBFXCXESJV-LRDDRELGSA-N 1 0 377.286 2.734 20 0 GFADRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2CN2Cc3c(cccc3Br)C2=O)C1 ZINC000802734945 659501670 /nfs/dbraw/zinc/50/16/70/659501670.db2.gz WIQXKTCRHGFSNB-GUYCJALGSA-N 1 0 378.314 2.779 20 0 GFADRO C[N@@H+]1CCCC[C@@H]1CCC(=O)OCC(=O)Nc1ccc(Br)cn1 ZINC000803859336 659611363 /nfs/dbraw/zinc/61/13/63/659611363.db2.gz YTVROIBQTKBERN-CYBMUJFWSA-N 1 0 384.274 2.590 20 0 GFADRO C[C@@H](NS(=O)(=O)c1cnc(Cl)c(F)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000805058429 659729384 /nfs/dbraw/zinc/72/93/84/659729384.db2.gz SMZKOSCCISXRAE-NEPJUHHUSA-N 1 0 375.897 2.805 20 0 GFADRO C[C@@H]1C[N@H+](CCCNC(=O)N2CC[C@]3(C)[C@H](C2)C3(Cl)Cl)CCCO1 ZINC000807182072 659849367 /nfs/dbraw/zinc/84/93/67/659849367.db2.gz XGTFTFSJCMFRLA-IJEWVQPXSA-N 1 0 378.344 2.713 20 0 GFADRO O=C(CCSc1ccccc1Br)N[C@H](CO)C[NH+]1CCCC1 ZINC000808218456 659882552 /nfs/dbraw/zinc/88/25/52/659882552.db2.gz IDFQISRISQVZSF-ZDUSSCGKSA-N 1 0 387.343 2.504 20 0 GFADRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]C[C@@H](O)c3ccccc3Br)[C@@H]2C1 ZINC000808783630 659906209 /nfs/dbraw/zinc/90/62/09/659906209.db2.gz SSMPXMZVDAXWHE-UNQWWWNPSA-N 1 0 381.314 2.719 20 0 GFADRO Brc1c(C[NH2+][C@H]2CCCC[C@H]2N2CCOCC2)nc2ccccn21 ZINC000809628649 659934542 /nfs/dbraw/zinc/93/45/42/659934542.db2.gz NZHHUGTUKCTZSN-GOEBONIOSA-N 1 0 393.329 2.830 20 0 GFADRO COC(=O)c1cc(S(=O)(=O)N[C@@H](C)C[N@H+](C)C(C)C)c(Cl)cc1Cl ZINC000809860871 659950464 /nfs/dbraw/zinc/95/04/64/659950464.db2.gz CLCHJUPHYXILGE-JTQLQIEISA-N 1 0 397.324 2.787 20 0 GFADRO C[C@H]1C[C@@H](C(=O)Nc2n[nH]c(-c3ccccc3Br)n2)CC[N@@H+]1C ZINC000810030882 659956844 /nfs/dbraw/zinc/95/68/44/659956844.db2.gz GJZUPPJYEXXZSJ-QWRGUYRKSA-N 1 0 378.274 2.903 20 0 GFADRO OC[C@@H]([NH2+]C[C@H](O)COc1ccc(Cl)cc1Br)C1CCCC1 ZINC000810115929 659962901 /nfs/dbraw/zinc/96/29/01/659962901.db2.gz RFBYSRCYHYFHCQ-DZGCQCFKSA-N 1 0 392.721 2.983 20 0 GFADRO Nc1nc(N2CCC[C@@H](OC(=O)c3cccc(Br)c3F)C2)cc[nH+]1 ZINC000810761921 659984999 /nfs/dbraw/zinc/98/49/99/659984999.db2.gz USESLOARYGFHPL-SNVBAGLBSA-N 1 0 395.232 2.786 20 0 GFADRO Cc1ccc(C(=O)O[C@H]2CCCN(c3cc[nH+]c(N)n3)C2)cc1Br ZINC000810764607 659985058 /nfs/dbraw/zinc/98/50/58/659985058.db2.gz KHYFMQPFJXFCAS-ZDUSSCGKSA-N 1 0 391.269 2.956 20 0 GFADRO Cc1cc(CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)ccc1I ZINC000811489761 660010292 /nfs/dbraw/zinc/01/02/92/660010292.db2.gz HFCHWKLVIDEVCE-JSGCOSHPSA-N 1 0 386.277 2.946 20 0 GFADRO C[C@@H](Sc1nc2ccccc2s1)C(=O)NCCC[N@H+](C)CCN(C)C ZINC000811543086 660011672 /nfs/dbraw/zinc/01/16/72/660011672.db2.gz PXZWNIJHUVHCPN-CQSZACIVSA-N 1 0 380.583 2.777 20 0 GFADRO CCCC[N@H+](C)C[C@H](C)NC(=O)c1cn(-c2ccccc2Br)nn1 ZINC000811584117 660013033 /nfs/dbraw/zinc/01/30/33/660013033.db2.gz YJVWUQBZWRRKKW-ZDUSSCGKSA-N 1 0 394.317 2.880 20 0 GFADRO C[NH+](C)CCCNC(=S)NCCc1c[nH]c2cccc(Br)c12 ZINC000811706411 660014489 /nfs/dbraw/zinc/01/44/89/660014489.db2.gz BZSNATBEISVIOJ-UHFFFAOYSA-N 1 0 383.359 2.889 20 0 GFADRO CCc1nnc(CNC(=S)NC2CC[NH+](Cc3ccccc3)CC2)s1 ZINC000811717560 660014774 /nfs/dbraw/zinc/01/47/74/660014774.db2.gz MZBTZSYMOUDPSG-UHFFFAOYSA-N 1 0 375.567 2.729 20 0 GFADRO CSC1(CNC(=O)[C@@H]2Cc3cc(Br)ccc3O2)CC[NH+](C)CC1 ZINC000811933466 660018030 /nfs/dbraw/zinc/01/80/30/660018030.db2.gz QGCHIUKEBHHOGC-HNNXBMFYSA-N 1 0 399.354 2.696 20 0 GFADRO CSC1(CNC(=O)NC[C@@H](O)c2c(F)cccc2Cl)CC[NH+](C)CC1 ZINC000811943938 660018136 /nfs/dbraw/zinc/01/81/36/660018136.db2.gz UEDRHUJYYWDIJC-CQSZACIVSA-N 1 0 389.924 2.639 20 0 GFADRO COC(=O)c1cc(Br)cc(C(=O)NC[C@H](C)[NH+]2CCCCC2)c1 ZINC000812478741 660027449 /nfs/dbraw/zinc/02/74/49/660027449.db2.gz VOAGUFKMFOMZEJ-LBPRGKRZSA-N 1 0 383.286 2.840 20 0 GFADRO Cc1cnc(Br)c(NC(=O)C(=O)NCCC[NH+](C(C)C)C(C)C)c1 ZINC000812970550 660037745 /nfs/dbraw/zinc/03/77/45/660037745.db2.gz MKYBZCJCOUEOKU-UHFFFAOYSA-N 1 0 399.333 2.716 20 0 GFADRO COC(=O)[C@](C)(NC(=O)CC1CC[NH+](C)CC1)c1cccc(Br)c1 ZINC000813446592 660054417 /nfs/dbraw/zinc/05/44/17/660054417.db2.gz GJHLTFBTTBYDSK-GOSISDBHSA-N 1 0 397.313 2.685 20 0 GFADRO C[N@@H+]1CC[C@]2(CCN(S(=O)(=O)/C=C/c3ccccc3Br)C2)C1 ZINC000813760056 660063463 /nfs/dbraw/zinc/06/34/63/660063463.db2.gz MDMUNRFDSOQCLI-RFKZRZAASA-N 1 0 385.327 2.777 20 0 GFADRO C[NH+](C)CCCC1CCN(S(=O)(=O)c2ccc(Cl)c3nonc32)CC1 ZINC000814390608 660079916 /nfs/dbraw/zinc/07/99/16/660079916.db2.gz ZMHDBCMAXXZXCR-UHFFFAOYSA-N 1 0 386.905 2.619 20 0 GFADRO CN(C/C=C\C(=O)NCC1([NH+]2CCSCC2)CCCC1)CC(F)(F)F ZINC000814495226 660086958 /nfs/dbraw/zinc/08/69/58/660086958.db2.gz TYPJZFBHTMVIHS-PLNGDYQASA-N 1 0 379.492 2.515 20 0 GFADRO CCO[C@@H]1COCC[C@@H]1[NH2+]C[C@@](C)(O)c1ccc(Br)cc1F ZINC000815095170 660111526 /nfs/dbraw/zinc/11/15/26/660111526.db2.gz NKDRBDWOMQJSBU-ARFHVFGLSA-N 1 0 376.266 2.579 20 0 GFADRO CN(C)C(=O)OC1CC[NH+](C[C@@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000815187200 660115828 /nfs/dbraw/zinc/11/58/28/660115828.db2.gz OARBWBIXDXIOCW-CYBMUJFWSA-N 1 0 391.295 2.896 20 0 GFADRO CS(=O)(=O)CCN1CCC([NH2+][C@H](Cc2ccccc2Cl)C2CC2)CC1 ZINC000815578854 660126079 /nfs/dbraw/zinc/12/60/79/660126079.db2.gz YWKJRBHXBSWKII-LJQANCHMSA-N 1 0 384.973 2.760 20 0 GFADRO O=C(Cc1cscc1Br)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000815592430 660126114 /nfs/dbraw/zinc/12/61/14/660126114.db2.gz ILPDEAWKLGEBMZ-AWEZNQCLSA-N 1 0 387.343 2.813 20 0 GFADRO C[C@H](CNC(=O)C(=O)Nc1ccc2cc(Br)ccc2c1)C[NH+](C)C ZINC000815684342 660128413 /nfs/dbraw/zinc/12/84/13/660128413.db2.gz LNICMHDTJDVTHF-GFCCVEGCSA-N 1 0 392.297 2.855 20 0 GFADRO O=C(N[C@H]1COc2cc(F)c(Br)cc21)N1CCC2(C1)CC[NH2+]CC2 ZINC000841897723 661317709 /nfs/dbraw/zinc/31/77/09/661317709.db2.gz WFTDSOBFRDLTLO-AWEZNQCLSA-N 1 0 398.276 2.807 20 0 GFADRO CC(C)[N@H+](C)CCCNC(=O)C(=O)Nc1cnc(Cl)c(C(F)(F)F)c1 ZINC000842199775 661326819 /nfs/dbraw/zinc/32/68/19/661326819.db2.gz JGFNOHRYABYTND-UHFFFAOYSA-N 1 0 380.798 2.539 20 0 GFADRO [NH2+]=C(COC[C@@H]1CCCO1)NOCc1c(F)ccc(Br)c1F ZINC000842658081 661347717 /nfs/dbraw/zinc/34/77/17/661347717.db2.gz WMXUEKTXARKHEK-VIFPVBQESA-N 1 0 379.201 2.921 20 0 GFADRO COc1ccc(-c2nc([C@H]3CCC[NH2+]C3)no2)c(I)c1 ZINC000842667915 661348179 /nfs/dbraw/zinc/34/81/79/661348179.db2.gz JISDXFUFMXVFPI-VIFPVBQESA-N 1 0 385.205 2.817 20 0 GFADRO COc1ccc2nc(Cl)ccc2c1S(=O)(=O)NCC1(C)CC[NH2+]CC1 ZINC000842826743 661356724 /nfs/dbraw/zinc/35/67/24/661356724.db2.gz CDIDYQOXYGPFEL-UHFFFAOYSA-N 1 0 383.901 2.565 20 0 GFADRO O=S(=O)(c1ccc2nc(Cl)sc2c1)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000842892522 661358969 /nfs/dbraw/zinc/35/89/69/661358969.db2.gz FZPIVYXAGXYWNY-RYUDHWBXSA-N 1 0 385.942 2.960 20 0 GFADRO CCC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000842894631 661359305 /nfs/dbraw/zinc/35/93/05/661359305.db2.gz VSEWCBUHGRLKRA-CABCVRRESA-N 1 0 384.929 2.943 20 0 GFADRO COc1cc(C)c(Br)cc1S(=O)(=O)NCCCCCC[NH3+] ZINC000842921325 661360410 /nfs/dbraw/zinc/36/04/10/661360410.db2.gz WNKLNUGUNRWJBC-UHFFFAOYSA-N 1 0 379.320 2.564 20 0 GFADRO COc1cc(Br)c(S(=O)(=O)NCCCCCC[NH3+])cc1Cl ZINC000842918722 661360515 /nfs/dbraw/zinc/36/05/15/661360515.db2.gz IADOUMJRFAQVOS-UHFFFAOYSA-N 1 0 399.738 2.909 20 0 GFADRO [NH3+]CCCCCCNC(=O)C(=O)Nc1cc(Br)c(F)cc1Cl ZINC000843051297 661365286 /nfs/dbraw/zinc/36/52/86/661365286.db2.gz WJZNPSONELBWJW-UHFFFAOYSA-N 1 0 394.672 2.815 20 0 GFADRO [NH3+]CCCCCCNC(=O)C(=O)Nc1ccc(Br)c(Cl)c1 ZINC000843052814 661365545 /nfs/dbraw/zinc/36/55/45/661365545.db2.gz URHHSVIXUGRLSO-UHFFFAOYSA-N 1 0 376.682 2.676 20 0 GFADRO O[C@@H](C[NH2+]C[C@H](O)COc1cccc(Br)c1)c1ccccc1F ZINC000843064265 661365797 /nfs/dbraw/zinc/36/57/97/661365797.db2.gz GGCTZLFWWKNPOL-GUYCJALGSA-N 1 0 384.245 2.651 20 0 GFADRO COc1ccc([C@@H](CO)C[NH2+]C[C@H](O)c2cccc(Br)c2)cc1 ZINC000843098043 661367826 /nfs/dbraw/zinc/36/78/26/661367826.db2.gz UMDNKYAMQSVCDB-QAPCUYQASA-N 1 0 380.282 2.857 20 0 GFADRO O=C(CC[NH2+][C@@H]1COc2ccccc2[C@@H]1O)Nc1cccc(Br)c1 ZINC000843117708 661369922 /nfs/dbraw/zinc/36/99/22/661369922.db2.gz SDQPDZUEFNATQH-QAPCUYQASA-N 1 0 391.265 2.862 20 0 GFADRO Cn1ccnc1[C@H]([NH2+]C[C@@H](O)c1ccc(Br)cc1)C(C)(C)CO ZINC000843119804 661370038 /nfs/dbraw/zinc/37/00/38/661370038.db2.gz WYQYWPSDKHBOKA-CABCVRRESA-N 1 0 382.302 2.565 20 0 GFADRO CC(=O)N[C@H](Cc1nc(C2CC[NH2+]CC2)no1)c1ccc(Br)cc1 ZINC000843137272 661370557 /nfs/dbraw/zinc/37/05/57/661370557.db2.gz WEIOQJFDZBKOBP-OAHLLOKOSA-N 1 0 393.285 2.719 20 0 GFADRO O=C(NCCc1nc(C2CC[NH2+]CC2)no1)Nc1ccc(Br)cc1 ZINC000843138917 661370804 /nfs/dbraw/zinc/37/08/04/661370804.db2.gz MQBOCTCYFGLTAB-UHFFFAOYSA-N 1 0 394.273 2.663 20 0 GFADRO CC(C)[C@H]([NH3+])c1noc(-c2ccc3ncc(I)n3c2)n1 ZINC000843154110 661371151 /nfs/dbraw/zinc/37/11/51/661371151.db2.gz LHRVOPXJUSUGMZ-NSHDSACASA-N 1 0 383.193 2.645 20 0 GFADRO Cc1cc(-c2noc(-c3cn(C4CC[NH2+]CC4)nn3)n2)ccc1Br ZINC000843172569 661371514 /nfs/dbraw/zinc/37/15/14/661371514.db2.gz FBZJQJTYFMFNFB-UHFFFAOYSA-N 1 0 389.257 2.991 20 0 GFADRO COc1cc(Br)c(Cc2noc([C@]3(C)CC[NH2+]C3)n2)cc1OC ZINC000843195720 661371585 /nfs/dbraw/zinc/37/15/85/661371585.db2.gz AKNIXUCJOYQRAN-MRXNPFEDSA-N 1 0 382.258 2.691 20 0 GFADRO COc1cc(Br)c(Cc2noc(CC3([NH3+])CCC3)n2)cc1OC ZINC000843198406 661371763 /nfs/dbraw/zinc/37/17/63/661371763.db2.gz TYGOGZMTQZLLRS-UHFFFAOYSA-N 1 0 382.258 2.864 20 0 GFADRO O=S(=O)(Cc1noc(C[C@H]2CCC[NH2+]2)n1)c1cc(Cl)ccc1Cl ZINC000843201360 661372049 /nfs/dbraw/zinc/37/20/49/661372049.db2.gz ZXVQICNYRNPQBP-SNVBAGLBSA-N 1 0 376.265 2.645 20 0 GFADRO [NH3+][C@H](Cc1nc(Cc2cccc(F)c2I)no1)C1CC1 ZINC000843207907 661372652 /nfs/dbraw/zinc/37/26/52/661372652.db2.gz HJNAKRTXIKTXJH-LLVKDONJSA-N 1 0 387.196 2.684 20 0 GFADRO O=C(/C=C\c1ccc(I)o1)N(C1CC1)C1CC[NH2+]CC1 ZINC000843304930 661377414 /nfs/dbraw/zinc/37/74/14/661377414.db2.gz RVXIKWTUTVWLIQ-XQRVVYSFSA-N 1 0 386.233 2.640 20 0 GFADRO O=C(CO[C@H]1CCC[NH2+]C1)N(Cc1cc(Br)ccc1F)C1CC1 ZINC000843377231 661378876 /nfs/dbraw/zinc/37/88/76/661378876.db2.gz RJYRNAFVMNNIRY-HNNXBMFYSA-N 1 0 385.277 2.848 20 0 GFADRO Cn1nc2cc(Br)ccc2c1C(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000843473521 661382562 /nfs/dbraw/zinc/38/25/62/661382562.db2.gz GIFVDYRHNGUCJZ-QGZVFWFLSA-N 1 0 377.286 2.552 20 0 GFADRO C[C@@H](CN(C)C(=O)CO[C@H]1CCC[NH2+]C1)Oc1ccc(Cl)c(Cl)c1 ZINC000843495303 661383285 /nfs/dbraw/zinc/38/32/85/661383285.db2.gz MODUISCVUSLSNN-JSGCOSHPSA-N 1 0 375.296 2.988 20 0 GFADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)C(F)(F)c1cccc(Cl)c1Cl ZINC000843793303 661392781 /nfs/dbraw/zinc/39/27/81/661392781.db2.gz XIICHERNWSHNQZ-NSHDSACASA-N 1 0 380.266 2.837 20 0 GFADRO C[C@H](C[N@@H+]1CCC[C@@H](C)[C@@H]1CCNC(=O)OC(C)(C)C)CS(C)(=O)=O ZINC000844400170 661419005 /nfs/dbraw/zinc/41/90/05/661419005.db2.gz JOORKWGUVMMRCZ-OAGGEKHMSA-N 1 0 376.563 2.682 20 0 GFADRO CC(C)C[NH+]1CCN(CN2CC(c3ccc(Br)cc3)=CC2=O)CC1 ZINC000844678893 661433591 /nfs/dbraw/zinc/43/35/91/661433591.db2.gz IXXGUHOBUYYRGX-UHFFFAOYSA-N 1 0 392.341 2.906 20 0 GFADRO C[C@@H]1CN(CN2CC(c3ccc(Br)cc3)=CC2=O)C[C@H](C)[N@H+]1C ZINC000844708302 661436022 /nfs/dbraw/zinc/43/60/22/661436022.db2.gz ZANQMHAKFDWZAW-OKILXGFUSA-N 1 0 378.314 2.657 20 0 GFADRO CN1CCC([NH+]2CCC(NC(=O)NCCC[C@H]3CC3(Cl)Cl)CC2)CC1 ZINC000844937865 661450075 /nfs/dbraw/zinc/45/00/75/661450075.db2.gz YTBBPUKUGUYXQW-AWEZNQCLSA-N 1 0 391.387 2.818 20 0 GFADRO C[C@]1(CCNC(=O)N2CCC(OCC[NH+]3CCCC3)CC2)C[C@]1(F)Cl ZINC000845410135 661469595 /nfs/dbraw/zinc/46/95/95/661469595.db2.gz LDWOKEPJFIFWSW-ZWKOTPCHSA-N 1 0 375.916 2.978 20 0 GFADRO CN(CCC[N@H+](C)Cc1ccncc1)C(=O)c1ccnc(Br)c1 ZINC000846171197 661534757 /nfs/dbraw/zinc/53/47/57/661534757.db2.gz DLTZHHGIMYYQLE-UHFFFAOYSA-N 1 0 377.286 2.833 20 0 GFADRO [NH3+]CCCCCCN1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000846217529 661538488 /nfs/dbraw/zinc/53/84/88/661538488.db2.gz JKFXIQNOFHLZCP-UHFFFAOYSA-N 1 0 394.368 2.819 20 0 GFADRO CCO[C@@H]1CN(C(=O)Nc2cc3ccccc3nc2Br)C[C@H]1C[NH3+] ZINC000846309311 661544237 /nfs/dbraw/zinc/54/42/37/661544237.db2.gz WXSCDGCIRPKHNA-IUODEOHRSA-N 1 0 393.285 2.825 20 0 GFADRO O=C1NC(=O)C2(CC[NH+](Cc3cc4cc(Cl)ccc4nc3Cl)CC2)N1 ZINC000846835945 661567334 /nfs/dbraw/zinc/56/73/34/661567334.db2.gz MYMPVHJALXFVCL-UHFFFAOYSA-N 1 0 379.247 2.716 20 0 GFADRO C[C@H]1COCC[N@@H+]1C1CCN(C[C@@H](O)c2ccccc2Br)CC1 ZINC000846911502 661570068 /nfs/dbraw/zinc/57/00/68/661570068.db2.gz JGWPYKIRMYZCSM-KBXCAEBGSA-N 1 0 383.330 2.668 20 0 GFADRO C[C@H](NC(=O)c1ccn(CC[NH+](C)C)n1)[C@@H](O)c1c(Cl)cccc1Cl ZINC000847594536 661600518 /nfs/dbraw/zinc/60/05/18/661600518.db2.gz NCEFLQAMYFTTQX-MEDUHNTESA-N 1 0 385.295 2.603 20 0 GFADRO CN=[S@@](C)(=O)c1cccc(NC(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)c1 ZINC000848206645 661632765 /nfs/dbraw/zinc/63/27/65/661632765.db2.gz DXDZHHAABFALBI-CPJLOUKISA-N 1 0 381.567 2.929 20 0 GFADRO CNC(=O)[C@@]1(C)CC[N@H+](Cn2cc(-c3ccc(Br)cc3)cn2)C1 ZINC000848487154 661654148 /nfs/dbraw/zinc/65/41/48/661654148.db2.gz OXHNJMXTCJEZRC-KRWDZBQOSA-N 1 0 377.286 2.728 20 0 GFADRO COc1cc2[nH+]ccc(NC[C@@H]3CN(C4CC4)C(=O)O3)c2cc1Br ZINC000848790902 661683492 /nfs/dbraw/zinc/68/34/92/661683492.db2.gz MNLWUCGRIVHKHE-LLVKDONJSA-N 1 0 392.253 2.823 20 0 GFADRO COc1ccc(Br)cc1C[C@H](CO)CNC(=[NH2+])NCCC(C)C ZINC000849116549 661693309 /nfs/dbraw/zinc/69/33/09/661693309.db2.gz MJXNFCCHFBXAEP-ZDUSSCGKSA-N 1 0 386.334 2.769 20 0 GFADRO COC(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@H]2CC[N@@H+](C(C)(C)C)C2)c1 ZINC000849411319 661718269 /nfs/dbraw/zinc/71/82/69/661718269.db2.gz FATFWWJPJDVTPF-GFCCVEGCSA-N 1 0 388.917 2.525 20 0 GFADRO C[N@H+](CCc1ccccc1)[C@H]1CCN(S(=O)(=O)c2cccnc2Cl)C1 ZINC000849454688 661728414 /nfs/dbraw/zinc/72/84/14/661728414.db2.gz MSAYHORFTBZRJX-INIZCTEOSA-N 1 0 379.913 2.673 20 0 GFADRO Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)Nc2ccccc2Br)cn1 ZINC000849480682 661733382 /nfs/dbraw/zinc/73/33/82/661733382.db2.gz GGVSFQYRJQBVDM-UONOGXRCSA-N 1 0 377.286 2.857 20 0 GFADRO CCOc1ccc(C[NH2+]C2CCN(S(=O)(=O)C(F)(F)F)CC2)c(C)c1 ZINC000850184786 661767068 /nfs/dbraw/zinc/76/70/68/661767068.db2.gz WXEAOAOCBPFVPG-UHFFFAOYSA-N 1 0 380.432 2.797 20 0 GFADRO CS(=O)(=O)CC1(CC[NH2+]Cc2c(F)ccc(C3OCCO3)c2Cl)CC1 ZINC000850345102 661770843 /nfs/dbraw/zinc/77/08/43/661770843.db2.gz JOPRGCZIMOIRHW-UHFFFAOYSA-N 1 0 391.892 2.829 20 0 GFADRO O=[S@](CC[NH2+]Cc1cc2c(c(Br)c1)OCO2)CC(F)(F)F ZINC000850349460 661771114 /nfs/dbraw/zinc/77/11/14/661771114.db2.gz FQYPNHJHGKQVON-OAQYLSRUSA-N 1 0 388.205 2.578 20 0 GFADRO CO[C@@H]1CCC[C@H]([C@@H](CO)[NH2+]Cc2ccccc2I)C1 ZINC000850354011 661771579 /nfs/dbraw/zinc/77/15/79/661771579.db2.gz RYUJXCLLUWDASN-JGGQBBKZSA-N 1 0 389.277 2.947 20 0 GFADRO O=S(=O)(CC[NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1)CC(F)(F)F ZINC000850364542 661772276 /nfs/dbraw/zinc/77/22/76/661772276.db2.gz JLHIHGGBHQIIAV-UHFFFAOYSA-N 1 0 398.878 2.871 20 0 GFADRO Cc1nn(C)c(C[NH2+]C[C@H](O)c2cc(F)c(F)c(F)c2)c1Br ZINC000850421545 661775624 /nfs/dbraw/zinc/77/56/24/661775624.db2.gz WYJBARKINDZMEC-LBPRGKRZSA-N 1 0 378.192 2.732 20 0 GFADRO C[C@@H]([NH2+]C1CCN(S(=O)(=O)C(F)(F)F)CC1)c1ccc(C(F)F)nc1 ZINC000850440660 661776130 /nfs/dbraw/zinc/77/61/30/661776130.db2.gz BGZJVXCCMDCSAB-SECBINFHSA-N 1 0 387.374 2.984 20 0 GFADRO C[C@H](Cc1ccc(Cl)c(C(F)(F)F)c1)[NH2+]CCOCCS(C)(=O)=O ZINC000850443541 661776192 /nfs/dbraw/zinc/77/61/92/661776192.db2.gz CSWZRRCMUIZYDK-LLVKDONJSA-N 1 0 387.851 2.941 20 0 GFADRO C[C@@H]([NH2+]CC(C)(C)[C@@H]1COCC12OCCO2)c1cncc(Br)c1 ZINC000850474075 661777678 /nfs/dbraw/zinc/77/76/78/661777678.db2.gz JTEJNADOPDNMRO-DOMZBBRYSA-N 1 0 385.302 2.910 20 0 GFADRO C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]CC[S@@](=O)CC(F)(F)F ZINC000850490687 661778458 /nfs/dbraw/zinc/77/84/58/661778458.db2.gz FIPAAVPDOGCGTE-UOXLDJKESA-N 1 0 398.878 2.978 20 0 GFADRO C[C@@H]([NH2+]CCNC(=O)c1ccc(Br)cn1)c1ccnc(Cl)c1 ZINC000850494107 661779272 /nfs/dbraw/zinc/77/92/72/661779272.db2.gz MSKGWADDLJEDSK-SNVBAGLBSA-N 1 0 383.677 2.973 20 0 GFADRO Cc1cccc(NC(=O)C[C@H](C)[NH2+]CCS(=O)(=O)CC(F)(F)F)c1C ZINC000850518562 661780477 /nfs/dbraw/zinc/78/04/77/661780477.db2.gz BHBHXOYGGMXANI-LBPRGKRZSA-N 1 0 380.432 2.587 20 0 GFADRO C[C@H]([NH2+]CCN1C[C@@H]2CCCCN2C1=O)c1cc(Br)ncc1F ZINC000850563368 661781809 /nfs/dbraw/zinc/78/18/09/661781809.db2.gz WXQNQFBNYVEZEV-RYUDHWBXSA-N 1 0 385.281 2.924 20 0 GFADRO O=S(=O)(c1cc(Cl)cc(Br)c1)N1CCC2(C1)CC[NH2+]CC2 ZINC000850587024 661782044 /nfs/dbraw/zinc/78/20/44/661782044.db2.gz LPWXFEVDQXTFGS-UHFFFAOYSA-N 1 0 393.734 2.867 20 0 GFADRO CCCOc1ccc(S(=O)(=O)N[C@H]2C[NH2+]CCC2(F)F)cc1C(C)C ZINC000850587534 661782141 /nfs/dbraw/zinc/78/21/41/661782141.db2.gz CJENYRVTUAUMOC-INIZCTEOSA-N 1 0 376.469 2.874 20 0 GFADRO COc1cc(S(=O)(=O)NC[C@@H]([NH3+])c2ccc(C(C)C)cc2)cnc1Cl ZINC000850583041 661782190 /nfs/dbraw/zinc/78/21/90/661782190.db2.gz YGBZBCLPRRINMV-OAHLLOKOSA-N 1 0 383.901 2.845 20 0 GFADRO COC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCC[C@@H](C)[C@H]2CCC[NH3+])c1 ZINC000850591151 661782864 /nfs/dbraw/zinc/78/28/64/661782864.db2.gz LYJBHKKHOQXFJX-IUODEOHRSA-N 1 0 388.917 2.655 20 0 GFADRO C[C@@H](CCNC(=O)C(=O)Nc1ccc2cc(Br)ccc2c1)[NH+](C)C ZINC000850595965 661783025 /nfs/dbraw/zinc/78/30/25/661783025.db2.gz JNMJQXIYYXYVBK-LBPRGKRZSA-N 1 0 392.297 2.997 20 0 GFADRO O=C(NCC1SCCS1)C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000850692578 661786092 /nfs/dbraw/zinc/78/60/92/661786092.db2.gz DPTIVTINDMPKOH-UHFFFAOYSA-N 1 0 379.551 2.533 20 0 GFADRO Cn1c(Cl)cnc1-c1csc(NC(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)n1 ZINC000850754411 661790474 /nfs/dbraw/zinc/79/04/74/661790474.db2.gz PGQBLJLHVGYYTC-GMTAPVOTSA-N 1 0 380.905 2.707 20 0 GFADRO CN(CC(C)(C)[NH3+])C(=O)C(=O)Nc1ccc2cc(Br)ccc2c1 ZINC000850832207 661792439 /nfs/dbraw/zinc/79/24/39/661792439.db2.gz CSTPFJSDSXMATH-UHFFFAOYSA-N 1 0 378.270 2.737 20 0 GFADRO O=C(c1cc(Br)cc(N2CCCC2)c1)N1CCNC[C@@H]1C(F)F ZINC000851636355 661827221 /nfs/dbraw/zinc/82/72/21/661827221.db2.gz RWTCCMRRQOWZMM-CQSZACIVSA-N 1 0 388.256 2.728 20 0 GFADRO C[C@@H](C[NH3+])NC(=O)N1CCc2cc(Br)c(Br)cc2C1 ZINC000851663903 661827982 /nfs/dbraw/zinc/82/79/82/661827982.db2.gz MLNOWANPABHFLB-QMMMGPOBSA-N 1 0 391.107 2.627 20 0 GFADRO CCOP(=O)(OCC)[C@H](O)C[N@H+](C)[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000851711059 661828796 /nfs/dbraw/zinc/82/87/96/661828796.db2.gz VGKXDOUKWKOARR-BBRMVZONSA-N 1 0 393.442 2.667 20 0 GFADRO COC(=O)c1sc(S(=O)(=O)N2CCCC[C@H]2C[NH+](C)C)c(C)c1Cl ZINC000851814129 661833931 /nfs/dbraw/zinc/83/39/31/661833931.db2.gz XYSIVZABCLPWIS-NSHDSACASA-N 1 0 394.946 2.601 20 0 GFADRO CO[C@H]1CC[C@@H]([NH+]2CCN(CC(=O)Nc3ccc(Br)cc3)CC2)C1 ZINC000851816713 661834318 /nfs/dbraw/zinc/83/43/18/661834318.db2.gz WCEVTWPJQLLAIA-SJORKVTESA-N 1 0 396.329 2.573 20 0 GFADRO CCOP(=O)(OCC)[C@H](O)C[N@@H+]1CCN(CC(F)(F)F)CC1(C)C ZINC000851905118 661845543 /nfs/dbraw/zinc/84/55/43/661845543.db2.gz AAWWWBRHQFKSNU-LBPRGKRZSA-N 1 0 376.356 2.529 20 0 GFADRO CCOP(=O)(OCC)[C@@H](O)C[NH2+][C@H](CO)c1ccc(Br)cc1 ZINC000851917446 661845967 /nfs/dbraw/zinc/84/59/67/661845967.db2.gz DNJZFNJLZWFWEJ-ZIAGYGMSSA-N 1 0 396.218 2.657 20 0 GFADRO CO[C@@]1(CO)CCC[N@H+](C[C@](C)(O)c2ccc(Br)cc2Cl)C1 ZINC000852409373 661863486 /nfs/dbraw/zinc/86/34/86/661863486.db2.gz ORZNTARLBNJHNU-HOTGVXAUSA-N 1 0 392.721 2.783 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)NC[C@H](O)c1cccc(Br)c1 ZINC000852411531 661863494 /nfs/dbraw/zinc/86/34/94/661863494.db2.gz HBYLWMDVWQQDIQ-CABCVRRESA-N 1 0 384.318 2.655 20 0 GFADRO CC(C)(C)n1ncc(C(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)c1Br ZINC000852818405 661875275 /nfs/dbraw/zinc/87/52/75/661875275.db2.gz IUAQZCQRMFCCIW-ZDUSSCGKSA-N 1 0 383.334 2.862 20 0 GFADRO [NH3+]CC[C@@H]1CCCCN1C(=O)c1cnn(-c2ccccc2)c1Br ZINC000852880015 661876400 /nfs/dbraw/zinc/87/64/00/661876400.db2.gz JFFGYCZXJKKQIH-ZDUSSCGKSA-N 1 0 377.286 2.978 20 0 GFADRO [NH3+]C[C@H]1CC(C(=O)NCC2(c3cc(C(F)(F)F)ccc3Cl)CC2)=NO1 ZINC000852890116 661876528 /nfs/dbraw/zinc/87/65/28/661876528.db2.gz MXQBNLABPLVFBZ-SNVBAGLBSA-N 1 0 375.778 2.610 20 0 GFADRO COc1cc(NC(=O)c2n[nH]c3c2C[NH2+]CC3)c(Cl)cc1Br ZINC000852916129 661877226 /nfs/dbraw/zinc/87/72/26/661877226.db2.gz XQRRJOJCDJGWQH-UHFFFAOYSA-N 1 0 385.649 2.732 20 0 GFADRO Cc1nnc(CN(C)C(=S)NC2CC[NH+](Cc3ccccc3)CC2)s1 ZINC000853050103 661879915 /nfs/dbraw/zinc/87/99/15/661879915.db2.gz SKXLPTAVSXRNDI-UHFFFAOYSA-N 1 0 375.567 2.817 20 0 GFADRO Cc1ccc(C[C@H](CO)C[NH2+]C[C@@H](O)c2ccccn2)cc1Br ZINC000853110736 661882683 /nfs/dbraw/zinc/88/26/83/661882683.db2.gz KINCMXFLNFUQOA-MAUKXSAKSA-N 1 0 379.298 2.627 20 0 GFADRO Fc1ncnc(Sc2nnc(C3CC[NH2+]CC3)n2C2CC2)c1Br ZINC000853346876 661887820 /nfs/dbraw/zinc/88/78/20/661887820.db2.gz ATIWXFQWQKBYFA-UHFFFAOYSA-N 1 0 399.293 2.923 20 0 GFADRO O=C1CC[C@H]2C[N@H+](Cn3cc(-c4ccc(Br)cc4)cn3)CC[C@H]2N1 ZINC000853560993 661892646 /nfs/dbraw/zinc/89/26/46/661892646.db2.gz YRNOSMGINZXYON-WMLDXEAASA-N 1 0 389.297 2.871 20 0 GFADRO C[NH+](C)CCC[C@H]1CN(Cn2ncc3c2cccc3Br)CCO1 ZINC000853625153 661895531 /nfs/dbraw/zinc/89/55/31/661895531.db2.gz PWYICGNHPNYGBQ-AWEZNQCLSA-N 1 0 381.318 2.799 20 0 GFADRO C[NH+](C)CCN1CCN(c2nc(Cl)c(C(F)(F)F)cc2Cl)CC1=O ZINC000853711096 661898048 /nfs/dbraw/zinc/89/80/48/661898048.db2.gz LKBRDMBITNQCKF-UHFFFAOYSA-N 1 0 385.217 2.617 20 0 GFADRO C[N@H+](CCc1ccccc1)[C@H]1CCN(C(=O)NC[C@H]2CSCCS2)C1 ZINC000853842455 661903650 /nfs/dbraw/zinc/90/36/50/661903650.db2.gz BQOZMALWVXSXFS-ROUUACIJSA-N 1 0 379.595 2.793 20 0 GFADRO Cn1nc(Br)c2c1ncnc2N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000853851536 661904161 /nfs/dbraw/zinc/90/41/61/661904161.db2.gz VFGKQKNSCJIDKH-LLVKDONJSA-N 1 0 379.306 2.945 20 0 GFADRO CC(C)(Sc1ccc(Br)cc1)C(=O)N1CCOC2(C[NH2+]C2)C1 ZINC000854016297 661911446 /nfs/dbraw/zinc/91/14/46/661911446.db2.gz VHRQWPPICWAYRE-UHFFFAOYSA-N 1 0 385.327 2.521 20 0 GFADRO Cc1sc2ncnc(SCCC(=O)NOC3CC[NH+](C)CC3)c2c1C ZINC000854357184 661929206 /nfs/dbraw/zinc/92/92/06/661929206.db2.gz UPSWQKOCTZCGCR-UHFFFAOYSA-N 1 0 380.539 2.932 20 0 GFADRO CCC[N@H+](CC)C[C@@H](C)NC(=O)c1csc(I)n1 ZINC000854534709 661938981 /nfs/dbraw/zinc/93/89/81/661938981.db2.gz RSTJPJXUDXPNOQ-SECBINFHSA-N 1 0 381.283 2.598 20 0 GFADRO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)c1cc(=O)c2cc(Br)ccc2o1 ZINC000854651462 661945428 /nfs/dbraw/zinc/94/54/28/661945428.db2.gz KGLZUHWMQFPZML-ZWNOBZJWSA-N 1 0 379.254 2.720 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)COc1ccc(C=O)cc1Br ZINC000855163589 661973937 /nfs/dbraw/zinc/97/39/37/661973937.db2.gz DHHVCCACVSAZOR-ZDUSSCGKSA-N 1 0 383.286 2.629 20 0 GFADRO Cc1csc([C@@](O)(CC(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)C(F)(F)F)n1 ZINC000855290047 661983316 /nfs/dbraw/zinc/98/33/16/661983316.db2.gz XWAZKXCDVLOHFZ-ABAIWWIYSA-N 1 0 379.448 2.581 20 0 GFADRO O=C(NCC1CC[NH+](Cc2ccncc2)CC1)c1cccc(Br)n1 ZINC000855527127 661996652 /nfs/dbraw/zinc/99/66/52/661996652.db2.gz BSPDTDNEKCWNLN-UHFFFAOYSA-N 1 0 389.297 2.881 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+](C2CCCCC2)C1)c1nccn2c(Br)cnc12 ZINC000855810452 662009104 /nfs/dbraw/zinc/00/91/04/662009104.db2.gz ZNTWWYZPVPFYHR-GFCCVEGCSA-N 1 0 392.301 2.629 20 0 GFADRO COc1ccc(C(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)nc1Br ZINC000855810120 662009111 /nfs/dbraw/zinc/00/91/11/662009111.db2.gz SUWGLXCUOKIORU-GFCCVEGCSA-N 1 0 382.302 2.990 20 0 GFADRO CC[C@@H]1CN(C(=O)c2ccnc(Cl)c2I)C[C@H](C)[NH2+]1 ZINC000856408923 662032103 /nfs/dbraw/zinc/03/21/03/662032103.db2.gz XOUKSSYKZSVFBF-DTWKUNHWSA-N 1 0 393.656 2.552 20 0 GFADRO C[C@H]([NH2+]C[C@H](O)COC[C@H]1CCCO1)c1ccc(C(F)(F)F)nc1Cl ZINC000856779610 662043892 /nfs/dbraw/zinc/04/38/92/662043892.db2.gz AAEMCJRCCIXLFG-SDDRHHMPSA-N 1 0 382.810 2.961 20 0 GFADRO C[N@@H+]1CCC[C@H](c2cccc(C(=O)NCc3cnc(Br)cn3)c2)C1 ZINC000857242237 662069434 /nfs/dbraw/zinc/06/94/34/662069434.db2.gz WTXPGIKIHTVPAI-HNNXBMFYSA-N 1 0 389.297 2.978 20 0 GFADRO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NC[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC000857331996 662073752 /nfs/dbraw/zinc/07/37/52/662073752.db2.gz KFZUWTWXSZRMNX-SJORKVTESA-N 1 0 389.323 2.936 20 0 GFADRO C[C@H](O)c1ncc(C(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)s1 ZINC000857499738 662081221 /nfs/dbraw/zinc/08/12/21/662081221.db2.gz VIHWKBUUPJCDNC-GCVQQVDUSA-N 1 0 377.432 2.732 20 0 GFADRO Cn1cc(CC(=O)N2C[C@H]([NH+](C)C)CCc3cc(Br)ccc32)cn1 ZINC000857883324 662093672 /nfs/dbraw/zinc/09/36/72/662093672.db2.gz QNJYBOOAXPOVBA-MRXNPFEDSA-N 1 0 391.313 2.635 20 0 GFADRO C[NH+](C)[C@@H]1CCc2cc(Br)ccc2N(C(=O)C2=COCCO2)C1 ZINC000857882115 662093692 /nfs/dbraw/zinc/09/36/92/662093692.db2.gz FZKWIAAGLACSDQ-CQSZACIVSA-N 1 0 381.270 2.547 20 0 GFADRO O=S(=O)(N1CCC([NH2+][C@H]2CCc3ccc(Cl)nc32)CC1)C(F)(F)F ZINC000857908364 662094369 /nfs/dbraw/zinc/09/43/69/662094369.db2.gz ZFFIYOUMKUFITM-NSHDSACASA-N 1 0 383.823 2.626 20 0 GFADRO CCON(CC)C(=O)C[NH2+]Cc1ccc(OC(F)F)c(Br)c1 ZINC000858220309 662104809 /nfs/dbraw/zinc/10/48/09/662104809.db2.gz SQHYXOCSTKSIDI-UHFFFAOYSA-N 1 0 381.217 2.940 20 0 GFADRO COC(=O)Nc1ccc(S(=O)(=O)N[C@@]2(C[NH3+])CCCC[C@H]2C)cc1Cl ZINC000858609975 662116355 /nfs/dbraw/zinc/11/63/55/662116355.db2.gz GIQHTYZWSYNEAA-BDJLRTHQSA-N 1 0 389.905 2.704 20 0 GFADRO Cc1cc(Br)c(F)cc1S(=O)(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000858611838 662116386 /nfs/dbraw/zinc/11/63/86/662116386.db2.gz TUIAFCYHEYKUFV-HNNXBMFYSA-N 1 0 391.306 2.661 20 0 GFADRO O=C(OCc1ccc(Br)cc1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000859055261 662134295 /nfs/dbraw/zinc/13/42/95/662134295.db2.gz JKHBKYDCQGAIMG-OAHLLOKOSA-N 1 0 383.286 2.740 20 0 GFADRO COCC[N@H+](C)CCNC(=O)C(C)(C)[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000859115570 662138548 /nfs/dbraw/zinc/13/85/48/662138548.db2.gz ZKNNQYYDBJDFOJ-HNNXBMFYSA-N 1 0 377.312 2.747 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)c2cc(Br)c3ncc(C=O)n3c2)C1 ZINC000859900276 662178036 /nfs/dbraw/zinc/17/80/36/662178036.db2.gz BHJLQMLCINHQHF-QWHCGFSZSA-N 1 0 393.285 2.512 20 0 GFADRO O=C(NCC[N@H+]1CC[C@H](O)C1)Nc1ccc2cc(Br)ccc2c1 ZINC000860781471 662215188 /nfs/dbraw/zinc/21/51/88/662215188.db2.gz BHEMWVZTSOVDOH-INIZCTEOSA-N 1 0 378.270 2.790 20 0 GFADRO COCC[N@@H+]1CCC[C@H]1COC(=O)Cc1cc(Br)ccc1OC ZINC000861034909 662225064 /nfs/dbraw/zinc/22/50/64/662225064.db2.gz LLSUGBJDNUSALC-HNNXBMFYSA-N 1 0 386.286 2.654 20 0 GFADRO CO[C@H]1C[N@H+](C)[C@@](C)(COC(=O)Cc2c(F)ccc(Br)c2F)C1 ZINC000861353117 662241951 /nfs/dbraw/zinc/24/19/51/662241951.db2.gz QLEQYDBUJBOYDX-QLJPJBMISA-N 1 0 392.240 2.922 20 0 GFADRO CCN(C(=O)c1ccc(I)cc1F)C1CC[NH+](C)CC1 ZINC000861890516 662262596 /nfs/dbraw/zinc/26/25/96/662262596.db2.gz JIKYXKOXIPTDON-UHFFFAOYSA-N 1 0 390.240 2.987 20 0 GFADRO CCN(C(=O)/C=C\c1ccc(I)o1)C1CC[NH+](C)CC1 ZINC000861893947 662262856 /nfs/dbraw/zinc/26/28/56/662262856.db2.gz VDQBNWBZHDELQJ-ALCCZGGFSA-N 1 0 388.249 2.840 20 0 GFADRO O=C(NC[C@H]1CC[N@@H+]1C1CCCC1)c1cn2c(Br)cnc2s1 ZINC000863032151 662309063 /nfs/dbraw/zinc/30/90/63/662309063.db2.gz LYBZKCUZTFVSFD-LLVKDONJSA-N 1 0 383.315 2.905 20 0 GFADRO CC(=O)N1CSC[C@@H]1C(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000863036514 662309375 /nfs/dbraw/zinc/30/93/75/662309375.db2.gz CLLDPTINKXCTAD-LSDHHAIUSA-N 1 0 390.336 2.634 20 0 GFADRO [NH3+]C[C@H]1CN(Cc2ccc(S(=O)(=O)C(F)F)cc2)CC[C@@H]1C(F)(F)F ZINC000863552304 662336283 /nfs/dbraw/zinc/33/62/83/662336283.db2.gz LGGDWSWYXWBNSS-AAEUAGOBSA-N 1 0 386.386 2.642 20 0 GFADRO CN1CCN(c2ccc(NC(=O)C[N@H+](C)C3CCC3)cc2Br)CC1 ZINC000863909055 662349469 /nfs/dbraw/zinc/34/94/69/662349469.db2.gz NWVZQXRPRMGZGF-UHFFFAOYSA-N 1 0 395.345 2.624 20 0 GFADRO CC(=O)N[C@H](C(=O)NCCC[NH+]1CCCCC1)c1cccc(Br)c1 ZINC000864588024 662380603 /nfs/dbraw/zinc/38/06/03/662380603.db2.gz XYTQXDIGRKFINQ-KRWDZBQOSA-N 1 0 396.329 2.619 20 0 GFADRO CN1CC[NH+](CCCCNC(=O)/C=C\c2ccsc2C(F)(F)F)CC1 ZINC000864863559 662388979 /nfs/dbraw/zinc/38/89/79/662388979.db2.gz RNCSNZMLBVRPDN-PLNGDYQASA-N 1 0 375.460 2.924 20 0 GFADRO CC[NH+](CC)[C@H](CNC(=O)[C@@H]1OCCO[C@@H]1C(F)(F)F)c1ccsc1 ZINC000864866465 662389208 /nfs/dbraw/zinc/38/92/08/662389208.db2.gz VPCOYULWPNDLBF-MCIONIFRSA-N 1 0 380.432 2.594 20 0 GFADRO COCCC[NH+]1CCC(NC(=O)c2nc(Br)sc2Cl)CC1 ZINC000865123114 662399936 /nfs/dbraw/zinc/39/99/36/662399936.db2.gz FNBARTVNYDWEAD-UHFFFAOYSA-N 1 0 396.738 2.790 20 0 GFADRO C[NH+](C)[C@@H]1CCCN(C(=O)c2cc(Br)ncc2Br)C1 ZINC000865128542 662400483 /nfs/dbraw/zinc/40/04/83/662400483.db2.gz PUZZPWGBUXGTKT-SECBINFHSA-N 1 0 391.107 2.773 20 0 GFADRO CC(=O)N[C@H](C(=O)N1CCC[N@@H+](C(C)C)CC1)c1cccc(Br)c1 ZINC000865144632 662400932 /nfs/dbraw/zinc/40/09/32/662400932.db2.gz OKIFMIMQYYDKFB-KRWDZBQOSA-N 1 0 396.329 2.569 20 0 GFADRO FC(F)(F)COCCC[NH+]1CCN(c2ncnc3[nH]c(Cl)cc32)CC1 ZINC000865464757 662422906 /nfs/dbraw/zinc/42/29/06/662422906.db2.gz OPZXLYFRODIQLL-UHFFFAOYSA-N 1 0 377.798 2.654 20 0 GFADRO Cc1c(Cl)cccc1C[NH2+]C1CCN(S(=O)(=O)C2CCOCC2)CC1 ZINC000865468719 662423188 /nfs/dbraw/zinc/42/31/88/662423188.db2.gz KFOFNFRCDFYIBT-UHFFFAOYSA-N 1 0 386.945 2.711 20 0 GFADRO OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCc1cccnc1Br ZINC000865473152 662423607 /nfs/dbraw/zinc/42/36/07/662423607.db2.gz KTYYKQBJFZXUFG-ZWKOTPCHSA-N 1 0 390.325 2.817 20 0 GFADRO C[NH+](C)CCCOc1cnccc1CNCc1cccnc1Br ZINC000865572403 662430121 /nfs/dbraw/zinc/43/01/21/662430121.db2.gz YZVAZYKMPWYWQW-UHFFFAOYSA-N 1 0 379.302 2.859 20 0 GFADRO CCCn1cc(C[NH2+]C[C@H](CO)Cc2ccc(F)c(Br)c2)nn1 ZINC000865592826 662431083 /nfs/dbraw/zinc/43/10/83/662431083.db2.gz BZFMZUAWYXRLLE-CYBMUJFWSA-N 1 0 385.281 2.531 20 0 GFADRO OC[C@@]1([NH2+]Cc2cn(C3CC3)cn2)CCc2cc(Br)ccc2C1 ZINC000865639902 662433334 /nfs/dbraw/zinc/43/33/34/662433334.db2.gz BENWWJKRIPNISO-GOSISDBHSA-N 1 0 376.298 2.990 20 0 GFADRO CC(C)([NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1)[C@H]1CCCCO1 ZINC000865744190 662440569 /nfs/dbraw/zinc/44/05/69/662440569.db2.gz OHMUBRVOOVYIGG-CQSZACIVSA-N 1 0 391.331 2.534 20 0 GFADRO O=S(=O)(c1ccccc1)[C@H]1C[C@H]([NH2+]C2CCN(c3nccs3)CC2)C1 ZINC000865766890 662442050 /nfs/dbraw/zinc/44/20/50/662442050.db2.gz UWKQXWMZFAOZEZ-JCNLHEQBSA-N 1 0 377.535 2.706 20 0 GFADRO Ic1cnc(C[NH2+]C[C@@H]2C[C@H]2C2CCOCC2)s1 ZINC000865783503 662443432 /nfs/dbraw/zinc/44/34/32/662443432.db2.gz OWSICSJBULGYML-QWRGUYRKSA-N 1 0 378.279 2.900 20 0 GFADRO CC(C)(C[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1)C(C)(F)F ZINC000865789305 662443709 /nfs/dbraw/zinc/44/37/09/662443709.db2.gz WKAKAPPAJPGPOV-UHFFFAOYSA-N 1 0 385.274 2.868 20 0 GFADRO COc1cc(Br)c(CNc2cc3n(n2)CC[N@H+](C)C3)cc1OC ZINC000865846361 662447322 /nfs/dbraw/zinc/44/73/22/662447322.db2.gz TUVLRAYEAIOOKC-UHFFFAOYSA-N 1 0 381.274 2.720 20 0 GFADRO Cn1ncc(I)c1C[NH2+]C1CCN(c2ccccc2)CC1 ZINC000865868966 662448549 /nfs/dbraw/zinc/44/85/49/662448549.db2.gz RRBNWHSHJCVJKN-UHFFFAOYSA-N 1 0 396.276 2.783 20 0 GFADRO C[NH+](C)C1(CNC(=O)Cc2ccc(Br)cc2Cl)CCOCC1 ZINC000865875793 662449137 /nfs/dbraw/zinc/44/91/37/662449137.db2.gz LUMGGBXZSZXQRK-UHFFFAOYSA-N 1 0 389.721 2.872 20 0 GFADRO O=C(NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1)c1cc(Br)no1 ZINC000865986698 662455176 /nfs/dbraw/zinc/45/51/76/662455176.db2.gz IJXHSLDVTVDYDC-UHFFFAOYSA-N 1 0 396.207 2.972 20 0 GFADRO CC(=O)N[C@H](C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1)c1cccc(Br)c1 ZINC000866367441 662469351 /nfs/dbraw/zinc/46/93/51/662469351.db2.gz YISYULSSBPZKCD-ZACQAIPSSA-N 1 0 396.329 2.615 20 0 GFADRO C[C@H]([NH2+]CC[C@@H]1CCSC1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000866404211 662470811 /nfs/dbraw/zinc/47/08/11/662470811.db2.gz YSNPKLXUXJQCFW-JKSUJKDBSA-N 1 0 384.567 2.501 20 0 GFADRO C[C@@H]([NH2+]CC[C@H]1CCCS1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000866478258 662475768 /nfs/dbraw/zinc/47/57/68/662475768.db2.gz GJIDLSLMPXHCID-NVXWUHKLSA-N 1 0 384.567 2.644 20 0 GFADRO C[NH+](C)CCOc1ccc(CNS(=O)(=O)C[C@]2(C)CC2(Cl)Cl)cc1 ZINC000866527326 662479304 /nfs/dbraw/zinc/47/93/04/662479304.db2.gz XPZKVJNEVNRSNQ-HNNXBMFYSA-N 1 0 395.352 2.630 20 0 GFADRO C[C@H]([NH2+]CCCCC1CC1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000866539359 662479384 /nfs/dbraw/zinc/47/93/84/662479384.db2.gz BHVRAVKBRHDAOQ-AWEZNQCLSA-N 1 0 388.555 2.643 20 0 GFADRO Cc1c([C@H](C)[NH2+]CC(C)(C)CS(N)(=O)=O)cnn1-c1cccc(Cl)c1 ZINC000866569701 662480847 /nfs/dbraw/zinc/48/08/47/662480847.db2.gz BPROKYDWLDVIEA-LBPRGKRZSA-N 1 0 384.933 2.799 20 0 GFADRO C[C@@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+]CC(C)(C)CS(N)(=O)=O ZINC000866572857 662480985 /nfs/dbraw/zinc/48/09/85/662480985.db2.gz RKFFPLQWXIDLOQ-VIFPVBQESA-N 1 0 387.855 2.589 20 0 GFADRO CO[C@H](c1ccccc1)[C@@H](C)[NH2+]Cc1c(I)cnn1C ZINC000866631207 662485899 /nfs/dbraw/zinc/48/58/99/662485899.db2.gz IWMYZKSEKGQUJU-ABAIWWIYSA-N 1 0 385.249 2.891 20 0 GFADRO CC1(C)CC[NH2+]CCN1Cc1csc(-c2ccc(S(C)(=O)=O)cc2)n1 ZINC000866699979 662490613 /nfs/dbraw/zinc/49/06/13/662490613.db2.gz XLNHIRFIVCVQMC-UHFFFAOYSA-N 1 0 379.551 2.788 20 0 GFADRO CC(C)(C)[C@]1(C[NH3+])CCN([C@H](C(N)=O)c2ccc(Br)cc2F)C1 ZINC000866708183 662490855 /nfs/dbraw/zinc/49/08/55/662490855.db2.gz YAFJAKKTBZQDSD-YOEHRIQHSA-N 1 0 386.309 2.812 20 0 GFADRO Cc1ccc(Br)c(CS(=O)(=O)NCC2(C)CC[NH2+]CC2)c1 ZINC000866760360 662495337 /nfs/dbraw/zinc/49/53/37/662495337.db2.gz JDTBQXAODZDRGH-UHFFFAOYSA-N 1 0 375.332 2.567 20 0 GFADRO CN(c1ccc(OCC[NH+](C)C)cc1)S(=O)(=O)C[C@@]1(C)CC1(Cl)Cl ZINC000866767295 662496061 /nfs/dbraw/zinc/49/60/61/662496061.db2.gz OYKYYHQZZMSFIL-OAHLLOKOSA-N 1 0 395.352 2.977 20 0 GFADRO CC(C)(C)[C@@]1(C[NH3+])CCN(S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)C1 ZINC000866814547 662501399 /nfs/dbraw/zinc/50/13/99/662501399.db2.gz CZFTWNHVUDDWII-OAHLLOKOSA-N 1 0 386.386 2.768 20 0 GFADRO O=S(=O)(c1cc(Br)sc1Cl)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000866829098 662502557 /nfs/dbraw/zinc/50/25/57/662502557.db2.gz YXALQZNUJKVZFG-HTQZYQBOSA-N 1 0 385.736 2.679 20 0 GFADRO CC[NH+](CC)CCOCCNC(=O)c1nc(Br)sc1Cl ZINC000867388419 662547132 /nfs/dbraw/zinc/54/71/32/662547132.db2.gz MFUJNGJAIGYMIS-UHFFFAOYSA-N 1 0 384.727 2.647 20 0 GFADRO CCC1([NH+]2CCCC2)CCN(S(=O)(=O)c2ccc(Cl)nc2F)CC1 ZINC000867601330 662561852 /nfs/dbraw/zinc/56/18/52/662561852.db2.gz VNGOFJJJWVESOD-UHFFFAOYSA-N 1 0 375.897 2.903 20 0 GFADRO C[NH+](C)C1(C)CCC(NS(=O)(=O)c2ccccc2Br)CC1 ZINC000867741501 662571684 /nfs/dbraw/zinc/57/16/84/662571684.db2.gz GMTCUYOEOFVKGW-UHFFFAOYSA-N 1 0 375.332 2.990 20 0 GFADRO CN(C(=O)c1c(F)ccc(I)c1Cl)[C@@H]1CC[NH2+]C1 ZINC000867964069 662589579 /nfs/dbraw/zinc/58/95/79/662589579.db2.gz UMEXEOVPVJABOC-SSDOTTSWSA-N 1 0 382.604 2.518 20 0 GFADRO COc1cc(I)ccc1C(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000867972761 662590122 /nfs/dbraw/zinc/59/01/22/662590122.db2.gz JMAQVZAQRDMXCW-GFCCVEGCSA-N 1 0 388.249 2.562 20 0 GFADRO COCCC1(NC(=O)[C@H]2CCOc3ccc(Br)cc32)CC[NH2+]CC1 ZINC000868043737 662592409 /nfs/dbraw/zinc/59/24/09/662592409.db2.gz SIMFBEURWBYTES-AWEZNQCLSA-N 1 0 397.313 2.590 20 0 GFADRO Cc1ccc(I)cc1NC(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000868148972 662596415 /nfs/dbraw/zinc/59/64/15/662596415.db2.gz QHDSNVPCKIJTST-GXTWGEPZSA-N 1 0 385.249 2.958 20 0 GFADRO Cc1ccc(I)cc1NC(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000868148975 662596433 /nfs/dbraw/zinc/59/64/33/662596433.db2.gz QHDSNVPCKIJTST-TZMCWYRMSA-N 1 0 385.249 2.958 20 0 GFADRO COC(=O)c1c(Br)ccc(NC(=O)N2CCC[C@H]3[NH2+]CC[C@@H]32)c1C ZINC000868153275 662596567 /nfs/dbraw/zinc/59/65/67/662596567.db2.gz ZCMPPDJFEVZXTB-KGLIPLIRSA-N 1 0 396.285 2.902 20 0 GFADRO O=C(Nc1ccn(-c2ccc(Br)cc2)n1)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000868160845 662597182 /nfs/dbraw/zinc/59/71/82/662597182.db2.gz WHBBSOZUVAKUMJ-GJZGRUSLSA-N 1 0 390.285 2.993 20 0 GFADRO COC1CC[NH+](C(C)(C)CNC(=O)NCc2ccc(Br)cn2)CC1 ZINC000868225552 662599129 /nfs/dbraw/zinc/59/91/29/662599129.db2.gz SZDSBICIPOXHCM-UHFFFAOYSA-N 1 0 399.333 2.533 20 0 GFADRO C[C@H](CNC(=O)NCc1ncc(Br)s1)[N@@H+]1CCC[C@H](C)C1 ZINC000868238107 662599245 /nfs/dbraw/zinc/59/92/45/662599245.db2.gz PMYHOMFSGVHIGH-WDEREUQCSA-N 1 0 375.336 2.825 20 0 GFADRO C[C@@H](C[NH+](C)C)NC(=O)c1c(F)ccc(I)c1Cl ZINC000868337320 662602175 /nfs/dbraw/zinc/60/21/75/662602175.db2.gz CIACQOQRKRGPMD-ZETCQYMHSA-N 1 0 384.620 2.764 20 0 GFADRO CSC1(CNC(=O)c2cnn(C(C)C)c2Br)CC[NH+](C)CC1 ZINC000868441541 662605228 /nfs/dbraw/zinc/60/52/28/662605228.db2.gz XUEOANGDBWVNEK-UHFFFAOYSA-N 1 0 389.363 2.784 20 0 GFADRO C[N@@H+]1CC[C@H]2CN(C(=O)NCc3ccc(Br)c(F)c3F)CC[C@H]21 ZINC000868810673 662620461 /nfs/dbraw/zinc/62/04/61/662620461.db2.gz SWZQZRFJADHSPF-WCQYABFASA-N 1 0 388.256 2.963 20 0 GFADRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)c1cc(Br)ncc1Br ZINC000868928575 662625260 /nfs/dbraw/zinc/62/52/60/662625260.db2.gz ZGCSTNGVWWTSHJ-VIFPVBQESA-N 1 0 391.107 2.773 20 0 GFADRO CC(C)n1ncc(C(=O)N2CCC(C)([NH+]3CCOCC3)CC2)c1Br ZINC000869438165 662646833 /nfs/dbraw/zinc/64/68/33/662646833.db2.gz QDKNYOLDYKZBDI-UHFFFAOYSA-N 1 0 399.333 2.553 20 0 GFADRO COCCN(CC1CC[NH+](C)CC1)C(=O)c1ccc(Br)c(O)c1 ZINC000869762551 662660368 /nfs/dbraw/zinc/66/03/68/662660368.db2.gz OMMNBXBJVNPMIY-UHFFFAOYSA-N 1 0 385.302 2.585 20 0 GFADRO CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)c2cc3c(cncc3Br)s2)C1 ZINC000869776405 662661269 /nfs/dbraw/zinc/66/12/69/662661269.db2.gz GQSNJYBYSUGPOG-JTQLQIEISA-N 1 0 398.326 2.634 20 0 GFADRO CC(=O)N[C@H](C(=O)OC[C@@H]1CC[N@H+](C)[C@@H]1C)c1cccc(Br)c1 ZINC000870453421 662690656 /nfs/dbraw/zinc/69/06/56/662690656.db2.gz MGAZUAKAQUOMSD-WPGHFRTFSA-N 1 0 383.286 2.510 20 0 GFADRO O=C(c1csc(C2CC[NH2+]CC2)n1)N1CCN(Cc2ccsc2)CC1 ZINC000870856282 662703589 /nfs/dbraw/zinc/70/35/89/662703589.db2.gz FHRJYVBBFGJVBD-UHFFFAOYSA-N 1 0 376.551 2.630 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)CCC12CC(C1)C[NH2+]2 ZINC000870853426 662703606 /nfs/dbraw/zinc/70/36/06/662703606.db2.gz DDWPDAWQNQXRET-UHFFFAOYSA-N 1 0 394.313 2.687 20 0 GFADRO CC(C)(C)CC(=O)N1CCN(C(=O)[C@H]([NH3+])c2cccc(Br)c2)CC1 ZINC000870863713 662703992 /nfs/dbraw/zinc/70/39/92/662703992.db2.gz WRWZQWBNUNSKEU-MRXNPFEDSA-N 1 0 396.329 2.556 20 0 GFADRO C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)CC1 ZINC000870894376 662707235 /nfs/dbraw/zinc/70/72/35/662707235.db2.gz QWGPWVGDZVROEG-OVLVRJBISA-N 1 0 392.341 2.782 20 0 GFADRO [NH3+][C@H](C(=O)N1CCN(c2ccc(O)cc2)CC1)c1cccc(Br)c1 ZINC000870914269 662707927 /nfs/dbraw/zinc/70/79/27/662707927.db2.gz NIQZHEDPSLGHIT-KRWDZBQOSA-N 1 0 390.281 2.503 20 0 GFADRO [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)NCc2cc(Cl)cc(I)c2)C1 ZINC000870914584 662708098 /nfs/dbraw/zinc/70/80/98/662708098.db2.gz XRDGOTBMPPUEGW-MRCXROJRSA-N 1 0 390.652 2.688 20 0 GFADRO [NH3+]CCCOC1CCN(C(=O)[C@@H]2[C@@H]3Cc4ccc(Br)cc4[C@@H]32)CC1 ZINC000870938196 662709122 /nfs/dbraw/zinc/70/91/22/662709122.db2.gz ZRESDTAHRADVCY-FGTMMUONSA-N 1 0 393.325 2.691 20 0 GFADRO [NH3+]C[C@H]1CC[C@H](NC(=O)c2c(F)ccc(I)c2Cl)C1 ZINC000870945960 662710553 /nfs/dbraw/zinc/71/05/53/662710553.db2.gz ZQCIYENEXYCOQU-YUMQZZPRSA-N 1 0 396.631 2.941 20 0 GFADRO C[C@]([NH3+])(C(=O)NC[C@@H]1C[C@H]1C1CCOCC1)c1ccc(Br)cc1 ZINC000870961913 662711650 /nfs/dbraw/zinc/71/16/50/662711650.db2.gz IVIGVHGEKLRWKG-QANKJYHBSA-N 1 0 381.314 2.802 20 0 GFADRO [NH3+][C@H]1C[C@@H](CNC(=O)c2c(F)ccc(I)c2Cl)C1 ZINC000870963998 662711729 /nfs/dbraw/zinc/71/17/29/662711729.db2.gz PVXZGVOEPMDBOP-KNVOCYPGSA-N 1 0 382.604 2.551 20 0 GFADRO Cc1nc2ccc(Br)cn2c1C(=O)N1CC[N@@H+](C)C(C)(C)CC1 ZINC000871156825 662716413 /nfs/dbraw/zinc/71/64/13/662716413.db2.gz OMRLDDSRUKHQSB-UHFFFAOYSA-N 1 0 379.302 2.962 20 0 GFADRO [NH3+]C[C@H]1CCN(S(=O)(=O)c2c(Cl)nc3sccn32)c2ccccc21 ZINC000871597626 662727352 /nfs/dbraw/zinc/72/73/52/662727352.db2.gz SZKWSMKZZKHWGD-SNVBAGLBSA-N 1 0 382.898 2.691 20 0 GFADRO [NH3+]C[C@H]1CN(S(=O)(=O)c2cccc(Cl)c2Cl)C[C@H]1C(F)(F)F ZINC000871811841 662734890 /nfs/dbraw/zinc/73/48/90/662734890.db2.gz SMZTXQYBDWUCSV-JGVFFNPUSA-N 1 0 377.215 2.751 20 0 GFADRO Cc1cccc2cc(S(=O)(=O)NC[C@@H]3CC4(CO3)CC[NH2+]CC4)sc21 ZINC000871811940 662734966 /nfs/dbraw/zinc/73/49/66/662734966.db2.gz XFDZMOMMHIUDSE-HNNXBMFYSA-N 1 0 380.535 2.647 20 0 GFADRO C[NH+](C)[C@H](CN1C(=O)N[C@@H](Cc2cncs2)C1=O)c1ccc(Cl)cc1 ZINC000871896670 662740413 /nfs/dbraw/zinc/74/04/13/662740413.db2.gz AVHNGSRWMRGXNB-LSDHHAIUSA-N 1 0 378.885 2.562 20 0 GFADRO C[C@H](C[NH2+][C@@H](c1cccc(Br)c1)[C@@H]1CCOC1)S(C)(=O)=O ZINC000872051154 662754869 /nfs/dbraw/zinc/75/48/69/662754869.db2.gz HQDKKAGLAKRVBV-KYOSRNDESA-N 1 0 376.316 2.549 20 0 GFADRO CS(=O)(=O)C1(C[NH2+][C@H](c2cccc(Br)c2)[C@@H]2CCOC2)CC1 ZINC000872069271 662755025 /nfs/dbraw/zinc/75/50/25/662755025.db2.gz OHFGQLMYZVVUBU-UKRRQHHQSA-N 1 0 388.327 2.694 20 0 GFADRO CC(C)(O)CN1CC[C@H]([NH2+][C@@H](c2cccc(Br)c2)[C@@H]2CCOC2)C1 ZINC000872090577 662755865 /nfs/dbraw/zinc/75/58/65/662755865.db2.gz CBQYDTGPQKFIHR-NJAFHUGGSA-N 1 0 397.357 2.962 20 0 GFADRO C[C@@H]([NH2+]CC1C[C@H]2CC[C@@H](C1)S2(=O)=O)c1ncc(Br)s1 ZINC000872119522 662756320 /nfs/dbraw/zinc/75/63/20/662756320.db2.gz HJVVCAVSZAOYBD-UBJLHIIHSA-N 1 0 379.345 2.912 20 0 GFADRO [NH3+]C[C@@H]1CN([C@@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)C[C@H]1C(F)(F)F ZINC000872152355 662757033 /nfs/dbraw/zinc/75/70/33/662757033.db2.gz QCSCOBSLMSLTCE-GLXFQSAKSA-N 1 0 379.785 2.653 20 0 GFADRO O=C(CC[NH2+]C[C@@H]1CC2(CO1)CCOCC2)Nc1cccc(Br)c1 ZINC000872230662 662758458 /nfs/dbraw/zinc/75/84/58/662758458.db2.gz HCKWHEBTQPCQJI-INIZCTEOSA-N 1 0 397.313 2.953 20 0 GFADRO CC(C)(C)OC(=O)N1CCC([C@@H](O)C[NH2+]Cc2ncc(Cl)s2)CC1 ZINC000872244505 662759195 /nfs/dbraw/zinc/75/91/95/662759195.db2.gz MEWSNQPMTGITQI-LBPRGKRZSA-N 1 0 375.922 2.894 20 0 GFADRO CCN(Cc1ccc(C[NH+](C)C)cc1)S(=O)(=O)N=[S@@](C)(=O)C(C)(C)C ZINC000872446093 662767420 /nfs/dbraw/zinc/76/74/20/662767420.db2.gz URAFZZVBZFLOAD-DEOSSOPVSA-N 1 0 389.587 2.711 20 0 GFADRO COC(=O)c1sccc1S(=O)(=O)N1CCC(C)([NH+]2CCCCC2)CC1 ZINC000872531131 662775567 /nfs/dbraw/zinc/77/55/67/662775567.db2.gz IRFXWHJROWKFFJ-UHFFFAOYSA-N 1 0 386.539 2.564 20 0 GFADRO Cn1nc(Br)c2c1ncnc2N1CCC(C)([NH+]2CCCCC2)CC1 ZINC000872663320 662784150 /nfs/dbraw/zinc/78/41/50/662784150.db2.gz JFQDHJSPQCIUIW-UHFFFAOYSA-N 1 0 393.333 2.971 20 0 GFADRO Cc1sc(C[NH2+]C2CCN(CCC(=O)N(C)C)CC2)cc1Br ZINC000873047729 662797393 /nfs/dbraw/zinc/79/73/93/662797393.db2.gz ASTBHUCMHSTXCU-UHFFFAOYSA-N 1 0 388.375 2.851 20 0 GFADRO Cc1cc(N2CC[C@@H]([NH2+]Cc3cc(Br)c(C)s3)C2=O)n(C)n1 ZINC000873063586 662797954 /nfs/dbraw/zinc/79/79/54/662797954.db2.gz AGDUMEPNBVSJCB-CYBMUJFWSA-N 1 0 383.315 2.756 20 0 GFADRO CCOc1cccc(F)c1C[NH2+]C1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000873074022 662798793 /nfs/dbraw/zinc/79/87/93/662798793.db2.gz HPQFCAADTPOQFU-UHFFFAOYSA-N 1 0 384.395 2.628 20 0 GFADRO O=C1OCC[C@@H]1CCC[NH2+]Cc1ccc(F)cc1I ZINC000873161017 662802074 /nfs/dbraw/zinc/80/20/74/662802074.db2.gz YFSTWDJGAMGUMG-JTQLQIEISA-N 1 0 377.197 2.863 20 0 GFADRO COc1ccc(Br)cc1C[NH2+]CC1C[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000873172257 662802737 /nfs/dbraw/zinc/80/27/37/662802737.db2.gz RBMHQMVFSCSEMA-PHTAMDTFSA-N 1 0 388.327 2.903 20 0 GFADRO Brc1cnc(CN[C@@]23CCC[C@@H]2[NH2+]CC3)c(Br)c1 ZINC000873231124 662804291 /nfs/dbraw/zinc/80/42/91/662804291.db2.gz IBHJAVXIELKAPI-QWHCGFSZSA-N 1 0 375.108 2.981 20 0 GFADRO [NH3+]C[C@@H]1CN(Cc2cc(Br)c3c(c2)OCCO3)C[C@@H]1C(F)(F)F ZINC000873227854 662804331 /nfs/dbraw/zinc/80/43/31/662804331.db2.gz OAVLLMXXBLDBDY-MNOVXSKESA-N 1 0 395.219 2.789 20 0 GFADRO O=C(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)Nc1ccc(Br)c(F)c1 ZINC000873309826 662805164 /nfs/dbraw/zinc/80/51/64/662805164.db2.gz FXPPYFQRUNBXLH-LBPRGKRZSA-N 1 0 386.265 2.868 20 0 GFADRO O=C(Nc1cccc(F)c1I)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000873314535 662805224 /nfs/dbraw/zinc/80/52/24/662805224.db2.gz NYICEBCIHIUOME-RISCZKNCSA-N 1 0 389.212 2.836 20 0 GFADRO Cc1cc(NC(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)cnc1Br ZINC000873317235 662805330 /nfs/dbraw/zinc/80/53/30/662805330.db2.gz IVPZKKABRGGPIP-PSASIEDQSA-N 1 0 381.196 2.753 20 0 GFADRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(C(=O)c2cc(N)nc(Br)c2)C1 ZINC000874249825 662826749 /nfs/dbraw/zinc/82/67/49/662826749.db2.gz VDZKTDNCGZHCQJ-BZPMIXESSA-N 1 0 381.318 2.904 20 0 GFADRO CCn1ncc(C(=O)N2C[C@@H]([NH+](C)C)Cc3ccccc32)c1Br ZINC000874450377 662831460 /nfs/dbraw/zinc/83/14/60/662831460.db2.gz YPLJQUZHBGIZBA-ZDUSSCGKSA-N 1 0 377.286 2.799 20 0 GFADRO C[C@@H]1CN(C(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)CC[C@@H](C(F)(F)F)O1 ZINC000874561986 662833675 /nfs/dbraw/zinc/83/36/75/662833675.db2.gz LTRVFPKMPCVNMK-YUELXQCFSA-N 1 0 380.476 2.772 20 0 GFADRO Cn1nc2cc(Br)ccc2c1C(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2C ZINC000874827245 662837600 /nfs/dbraw/zinc/83/76/00/662837600.db2.gz YDWZFRYYNAJIHG-LSDHHAIUSA-N 1 0 377.286 2.645 20 0 GFADRO COc1cc(Br)c(C(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3C)cc1OC ZINC000874827347 662837661 /nfs/dbraw/zinc/83/76/61/662837661.db2.gz RDITXWIBAICFMN-UONOGXRCSA-N 1 0 383.286 2.775 20 0 GFADRO C[N@@H+]1CCC[C@H]2[C@H]1CCN2C(=O)c1ccc(-n2cc(Br)cn2)cc1 ZINC000874845911 662838323 /nfs/dbraw/zinc/83/83/23/662838323.db2.gz YPHLDDKPXWUOLG-SJORKVTESA-N 1 0 389.297 2.944 20 0 GFADRO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)c1cnn(-c2ccc(Br)cc2)c1 ZINC000874843600 662838359 /nfs/dbraw/zinc/83/83/59/662838359.db2.gz NZCRBTKZAIUILR-DLBZAZTESA-N 1 0 389.297 2.944 20 0 GFADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@H]2C(=O)Oc2ccc(Br)cc2)cn1 ZINC000874982570 662840218 /nfs/dbraw/zinc/84/02/18/662840218.db2.gz BWGZRRFFHXUPKD-CVEARBPZSA-N 1 0 378.270 2.824 20 0 GFADRO CN1CC[NH+](C2CCN(C(=O)NCc3ccc(Cl)cc3Cl)CC2)CC1 ZINC000874984390 662840326 /nfs/dbraw/zinc/84/03/26/662840326.db2.gz FWKYPAWIPKFGLW-UHFFFAOYSA-N 1 0 385.339 2.915 20 0 GFADRO C[C@H]1CCCC[N@@H+]1CCCNC(=O)NCc1ncc(Br)s1 ZINC000875015664 662840911 /nfs/dbraw/zinc/84/09/11/662840911.db2.gz MAICCVNHRNWBJH-NSHDSACASA-N 1 0 375.336 2.969 20 0 GFADRO COC[C@H](NC(=O)NCC1=CC[N@H+](C)CC1)c1cccc(Br)c1 ZINC000876232680 662857555 /nfs/dbraw/zinc/85/75/55/662857555.db2.gz MRCBWYVMSXJJTA-INIZCTEOSA-N 1 0 382.302 2.698 20 0 GFADRO CN(CCN1CC[NH2+]CC1)C(=O)c1ccc2ccc(Br)cc2c1 ZINC000876525582 662862472 /nfs/dbraw/zinc/86/24/72/662862472.db2.gz IBKHBGOCAJWVTO-UHFFFAOYSA-N 1 0 376.298 2.580 20 0 GFADRO COC(=O)c1ccc(C[NH2+]C2CCN(C(=O)C3CC3)CC2)cc1Br ZINC000876521876 662862520 /nfs/dbraw/zinc/86/25/20/662862520.db2.gz ZUJRUHJWZOHELZ-UHFFFAOYSA-N 1 0 395.297 2.726 20 0 GFADRO C[C@H]([NH3+])[C@H]1CN(C(=O)C2(c3cc(Cl)cc(Br)c3)CC2)CCO1 ZINC000876543250 662862637 /nfs/dbraw/zinc/86/26/37/662862637.db2.gz IRHAWIFHWDVXEC-IINYFYTJSA-N 1 0 387.705 2.709 20 0 GFADRO Cc1nc(C2CC[NH2+]CC2)sc1C(=O)Nc1cccc(S(C)(=O)=O)c1 ZINC000876567227 662862946 /nfs/dbraw/zinc/86/29/46/662862946.db2.gz FYERDZRODVMZIC-UHFFFAOYSA-N 1 0 379.507 2.574 20 0 GFADRO C[NH+](C)C[C@H](N)C(=O)N[C@H](c1ccccc1)c1ccc(Br)cc1 ZINC000876619523 662863556 /nfs/dbraw/zinc/86/35/56/662863556.db2.gz AKQBVVCXRAIAHM-DLBZAZTESA-N 1 0 376.298 2.544 20 0 GFADRO O=C(/C=C\[C@@H]1CCC[NH2+]C1)N1CCO[C@H](c2cccc(Br)c2)C1 ZINC000876629354 662863784 /nfs/dbraw/zinc/86/37/84/662863784.db2.gz ZSSHKISJNMPKQE-GMMSVRSPSA-N 1 0 379.298 2.905 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)/C=C/[C@@H]1CCC[NH2+]C1 ZINC000876636186 662864042 /nfs/dbraw/zinc/86/40/42/662864042.db2.gz RRHOFWUBWHEVSP-DYLGSBMWSA-N 1 0 394.313 2.758 20 0 GFADRO C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000876735268 662865630 /nfs/dbraw/zinc/86/56/30/662865630.db2.gz CIRGOOMJOOZGSB-HZQJLSHOSA-N 1 0 392.341 2.803 20 0 GFADRO CN(CC(F)F)C1CC[NH+](Cc2cnn3cc(Br)cnc23)CC1 ZINC000876776791 662866314 /nfs/dbraw/zinc/86/63/14/662866314.db2.gz RCNUALFXGSSEAI-UHFFFAOYSA-N 1 0 388.260 2.653 20 0 GFADRO CC(C)n1ncc(C(=O)N2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)c1Br ZINC000876950501 662868635 /nfs/dbraw/zinc/86/86/35/662868635.db2.gz OTTCYMGTZHBEPZ-BPLDGKMQSA-N 1 0 399.333 2.728 20 0 GFADRO CCO[P@@](C)(=O)CC[C@@H](C)[NH2+]Cc1ccc(CS(=O)(=O)NC)cc1 ZINC000876960319 662868722 /nfs/dbraw/zinc/86/87/22/662868722.db2.gz CNCUJNMCJZEBRJ-QKFKETGDSA-N 1 0 376.459 2.548 20 0 GFADRO CCn1ncc(C(=O)Nc2ccc([C@@H]3C[NH2+]CCO3)cc2)c1Br ZINC000876969556 662868853 /nfs/dbraw/zinc/86/88/53/662868853.db2.gz SYJKJLFLJLEAJU-AWEZNQCLSA-N 1 0 379.258 2.579 20 0 GFADRO O=C(/C=C/[C@@H]1CCC[NH2+]C1)N1CCOC[C@H]1c1cccc(Br)c1 ZINC000876970315 662868899 /nfs/dbraw/zinc/86/88/99/662868899.db2.gz OOEBEFUDLVBKDI-MFTLYIETSA-N 1 0 379.298 2.905 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)c2cc(Cl)c3c(c2)OCCO3)CC[C@@H]1C(F)(F)F ZINC000877018395 662869680 /nfs/dbraw/zinc/86/96/80/662869680.db2.gz WAGFEIRSGXNTKD-QWRGUYRKSA-N 1 0 378.778 2.711 20 0 GFADRO CN(CCOCC[NH3+])C(=O)c1cnc(-c2ccccc2Br)s1 ZINC000877057291 662870283 /nfs/dbraw/zinc/87/02/83/662870283.db2.gz ZEIRLRBSPQJRHS-UHFFFAOYSA-N 1 0 384.299 2.620 20 0 GFADRO C[C@H]1C[C@H]([NH2+]Cc2cc3nc(Cl)ccc3s2)C(=O)N1c1cnn(C)c1 ZINC000877070349 662870731 /nfs/dbraw/zinc/87/07/31/662870731.db2.gz NQMNBEABAWYCCY-HZMBPMFUSA-N 1 0 375.885 2.967 20 0 GFADRO CN1C(=O)N[C@]2(CCC[C@@H]2C[NH2+]Cc2cc3nc(Cl)ccc3s2)C1=O ZINC000877075376 662870765 /nfs/dbraw/zinc/87/07/65/662870765.db2.gz AMUSBVYPXKPYSF-QGHHPUGFSA-N 1 0 378.885 2.760 20 0 GFADRO [NH3+]CC12CCC(CC1)N2C(=O)CCC[S@](=O)c1ccc(Br)cc1 ZINC000877190170 662872104 /nfs/dbraw/zinc/87/21/04/662872104.db2.gz XJDOIRCPNPCNNB-QPSXVZGUSA-N 1 0 399.354 2.819 20 0 GFADRO [NH3+]CC12CCC(CC1)N2C(=O)c1cc(=O)[nH]c2ccc(Br)cc21 ZINC000877191100 662872143 /nfs/dbraw/zinc/87/21/43/662872143.db2.gz HQKQOJDQSOITQR-UHFFFAOYSA-N 1 0 376.254 2.799 20 0 GFADRO CN1CC[C@H]([NH2+][C@H](CO)C2CCOCC2)C[C@H]1c1ccc(Br)cc1 ZINC000877194847 662872182 /nfs/dbraw/zinc/87/21/82/662872182.db2.gz CZNQFDBNMLBSRF-OTWHNJEPSA-N 1 0 397.357 2.962 20 0 GFADRO C[C@@]1(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1(Br)Br ZINC000877246454 662872543 /nfs/dbraw/zinc/87/25/43/662872543.db2.gz GNCXFCNXBHCFGG-WYFGTUCQSA-N 1 0 380.124 2.529 20 0 GFADRO [NH3+]C1(C(=O)N[C@@H]2[C@@H]3Cc4ccc(Br)cc4[C@@H]32)Cc2ccccc2C1 ZINC000877260598 662872623 /nfs/dbraw/zinc/87/26/23/662872623.db2.gz BEQNAYBLZKJVPJ-FGTMMUONSA-N 1 0 383.289 2.700 20 0 GFADRO COC[C@@H](NC(=O)c1csc(CC[NH3+])n1)c1cccc(Br)c1 ZINC000877262594 662872663 /nfs/dbraw/zinc/87/26/63/662872663.db2.gz IZIZCJMJTRJGMX-GFCCVEGCSA-N 1 0 384.299 2.524 20 0 GFADRO O=C(c1ccc(I)cc1Cl)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000877280044 662873007 /nfs/dbraw/zinc/87/30/07/662873007.db2.gz FRJPTKPWCBGAMU-OLZOCXBDSA-N 1 0 390.652 2.911 20 0 GFADRO O=C(c1ccn(-c2cccc(Br)c2)n1)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000877280280 662873074 /nfs/dbraw/zinc/87/30/74/662873074.db2.gz UZDXXGSXONHIDJ-ZBFHGGJFSA-N 1 0 375.270 2.601 20 0 GFADRO Cc1cc(C)c(Br)c(C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)c1 ZINC000877327997 662873663 /nfs/dbraw/zinc/87/36/63/662873663.db2.gz AUQFIKCQGWNPEZ-CQSZACIVSA-N 1 0 381.314 2.954 20 0 GFADRO O=C(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)C1(c2ccc(Br)cc2)CC1 ZINC000877336146 662873815 /nfs/dbraw/zinc/87/38/15/662873815.db2.gz KOJPWYAHMQVEFW-INIZCTEOSA-N 1 0 393.325 2.756 20 0 GFADRO O=C(CSc1nc2ccccc2s1)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000877336995 662873855 /nfs/dbraw/zinc/87/38/55/662873855.db2.gz VLBSMWGARSGASF-ZDUSSCGKSA-N 1 0 377.535 2.663 20 0 GFADRO C[C@@]([NH3+])(C(=O)N1CCO[C@H](C(F)(F)F)CC1)c1ccc(Br)cc1 ZINC000877383424 662875180 /nfs/dbraw/zinc/87/51/80/662875180.db2.gz ZYKVHSRRBYEKIS-JSGCOSHPSA-N 1 0 395.219 2.803 20 0 GFADRO O=C(N[C@@]12CCC[C@H]1[NH2+]CC2)c1nn(-c2ccc(F)cc2)cc1Br ZINC000877393805 662875385 /nfs/dbraw/zinc/87/53/85/662875385.db2.gz OWDLFAMTOLGWQB-RHSMWYFYSA-N 1 0 393.260 2.788 20 0 GFADRO CN(C)[C@@H](C[NH2+]CC1CCS(=O)(=O)CC1)c1cccc(C(F)(F)F)c1 ZINC000877399317 662875505 /nfs/dbraw/zinc/87/55/05/662875505.db2.gz MUXFFVRCZAHRGS-INIZCTEOSA-N 1 0 378.460 2.723 20 0 GFADRO CC(C)(C)OC(=O)NCC1(C[NH2+]Cc2ccc(S(C)(=O)=O)s2)CCC1 ZINC000877466286 662876351 /nfs/dbraw/zinc/87/63/51/662876351.db2.gz HIYHENAZURNTPG-UHFFFAOYSA-N 1 0 388.555 2.936 20 0 GFADRO C[N@@H+]1CCN(CCNCc2nc(Cl)ccc2Br)CC1(C)C ZINC000877499478 662877295 /nfs/dbraw/zinc/87/72/95/662877295.db2.gz QFQCEVPQSJMPPK-UHFFFAOYSA-N 1 0 375.742 2.613 20 0 GFADRO COC(=O)c1ccc(C[NH2+]C[C@@H](OC)C2CCOCC2)c(Br)c1 ZINC000877526932 662878100 /nfs/dbraw/zinc/87/81/00/662878100.db2.gz GUJQGEQHSLMTRR-MRXNPFEDSA-N 1 0 386.286 2.767 20 0 GFADRO CCC(CC)(CNC(=O)OC(C)(C)C)C[NH2+]C[C@H]1CCCS(=O)(=O)C1 ZINC000877534111 662878300 /nfs/dbraw/zinc/87/83/00/662878300.db2.gz YCFRYOSKRGUJIO-OAHLLOKOSA-N 1 0 376.563 2.732 20 0 GFADRO Ic1cnnn1C1CC[NH+](CC2CCSCC2)CC1 ZINC000877631372 662880262 /nfs/dbraw/zinc/88/02/62/662880262.db2.gz QNDNIFGYECTJNP-UHFFFAOYSA-N 1 0 392.310 2.663 20 0 GFADRO CC[C@@H](Cc1cn(C)c2ccccc12)[NH2+]Cc1ccc(S(N)(=O)=O)s1 ZINC000877683405 662881784 /nfs/dbraw/zinc/88/17/84/662881784.db2.gz AKNVOSBXMMDNRH-AWEZNQCLSA-N 1 0 377.535 2.998 20 0 GFADRO CC(C)(C[NH2+]C1CC(c2ccc(Br)cc2F)C1)CS(N)(=O)=O ZINC000877735588 662882722 /nfs/dbraw/zinc/88/27/22/662882722.db2.gz YGGNHLTXMKBCOX-UHFFFAOYSA-N 1 0 393.322 2.739 20 0 GFADRO Cc1nn(-c2cccc(Br)c2)cc1C[NH+]1CCC(CO)(CO)CC1 ZINC000877796455 662884236 /nfs/dbraw/zinc/88/42/36/662884236.db2.gz NMQIQCGMDYZKBR-UHFFFAOYSA-N 1 0 394.313 2.510 20 0 GFADRO COC(=O)CC[C@@H]1CCC[N@H+](Cc2cnn3cc(Br)cnc23)C1 ZINC000877818414 662884891 /nfs/dbraw/zinc/88/48/91/662884891.db2.gz HEOVUPYJWZTUFS-LBPRGKRZSA-N 1 0 381.274 2.657 20 0 GFADRO O=C(C1CC[NH+](C[C@@H](O)c2ccc(Cl)c(Cl)c2)CC1)N1CCOCC1 ZINC000877944997 662886614 /nfs/dbraw/zinc/88/66/14/662886614.db2.gz XUGYZFBXRPBHBM-QGZVFWFLSA-N 1 0 387.307 2.598 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(C(=O)Nc3cc4c(cc3Br)OCCO4)CC[C@@H]21 ZINC000878007485 662887973 /nfs/dbraw/zinc/88/79/73/662887973.db2.gz DJHBEHBPNXKOFI-RISCZKNCSA-N 1 0 396.285 2.778 20 0 GFADRO Brc1cnn(C2CC[NH+](C[C@@H]3CC4(CO3)CCOCC4)CC2)c1 ZINC000878091517 662889673 /nfs/dbraw/zinc/88/96/73/662889673.db2.gz DMUTWLGNLYTVCW-INIZCTEOSA-N 1 0 384.318 2.868 20 0 GFADRO OC1(c2ccccc2)C[C@H]2CC[C@@H](C1)[N@H+]2CCn1cnc(Br)n1 ZINC000878276180 662892849 /nfs/dbraw/zinc/89/28/49/662892849.db2.gz RTYNAJLHZIPCLJ-FKEKPDDDSA-N 1 0 377.286 2.555 20 0 GFADRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)Cc2c(Br)cnn2C)C1 ZINC000878385647 662895118 /nfs/dbraw/zinc/89/51/18/662895118.db2.gz RHLMYWLPWZTVDZ-UKRRQHHQSA-N 1 0 391.313 2.677 20 0 GFADRO COC(=O)C[C@@](C)([NH2+]C[C@@H](O)c1ccc(Br)cc1)c1ccccn1 ZINC000878457447 662896965 /nfs/dbraw/zinc/89/69/65/662896965.db2.gz VFEPNWPQCDHJNN-CRAIPNDOSA-N 1 0 393.281 2.946 20 0 GFADRO CC(C)(O)C[C@@H](O)C[N@H+](Cc1cccc(Br)c1)C1CCOCC1 ZINC000878491324 662897478 /nfs/dbraw/zinc/89/74/78/662897478.db2.gz YPMKJRNZUSNNHA-QGZVFWFLSA-N 1 0 386.330 2.952 20 0 GFADRO Cn1nccc1C1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H](O)c1cc(Br)no1 ZINC000878569312 662899097 /nfs/dbraw/zinc/89/90/97/662899097.db2.gz UCUMSCVBPPWBCU-GPWHNMLOSA-N 1 0 381.274 2.615 20 0 GFADRO C[C@@H](c1ccccc1)[C@H]([NH2+]C[C@@H](O)c1ccc(Br)cc1)C(N)=O ZINC000878639735 662901335 /nfs/dbraw/zinc/90/13/35/662901335.db2.gz SXJQWHKRQVERNS-VUCTXSBTSA-N 1 0 377.282 2.730 20 0 GFADRO OC[C@H]([NH2+]C[C@@H](O)C[C@H](O)c1ccccc1)c1ccc(Br)c(F)c1 ZINC000878645099 662901666 /nfs/dbraw/zinc/90/16/66/662901666.db2.gz HWDHJMBPEGAIFG-WBAXXEDZSA-N 1 0 398.272 2.696 20 0 GFADRO CN(Cc1cscc1Br)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000878847865 662907234 /nfs/dbraw/zinc/90/72/34/662907234.db2.gz CNZLNRVBADUCSM-UHFFFAOYSA-N 1 0 386.319 2.933 20 0 GFADRO Brc1cncc(O[C@@H]2CC[N@H+](C[C@@H]3CC4(CO3)CCOCC4)C2)c1 ZINC000878875786 662908022 /nfs/dbraw/zinc/90/80/22/662908022.db2.gz FUTXWQTXRVQMQB-WBVHZDCISA-N 1 0 397.313 2.883 20 0 GFADRO O[C@H](C[N@@H+]1CCC[C@H](n2ccnn2)CC1)c1ccc(F)c(Br)c1 ZINC000878942408 662910463 /nfs/dbraw/zinc/91/04/63/662910463.db2.gz YABTZZLJQJFILL-XJKSGUPXSA-N 1 0 383.265 2.940 20 0 GFADRO COCCN(CC1CC[NH+](C)CC1)C(=O)Nc1cnc(Br)c(C)c1 ZINC000879148959 662918540 /nfs/dbraw/zinc/91/85/40/662918540.db2.gz GDWLEUUFKSZHIR-UHFFFAOYSA-N 1 0 399.333 2.975 20 0 GFADRO Cn1cc(Br)c(=O)c(NC(=O)NC2CCC(C)([NH+](C)C)CC2)c1 ZINC000879187456 662919796 /nfs/dbraw/zinc/91/97/96/662919796.db2.gz DEBCXVAHVSUVCH-UHFFFAOYSA-N 1 0 385.306 2.532 20 0 GFADRO O=C(Nc1cc(Br)ccn1)N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000879377712 662924839 /nfs/dbraw/zinc/92/48/39/662924839.db2.gz VJHAWMULFMTPTC-AWEZNQCLSA-N 1 0 383.290 2.609 20 0 GFADRO NC(=O)[C@@H](C1CC1)[N@H+](C[C@@H](O)c1ccc(F)c(Br)c1)CC1CC1 ZINC000879486313 662926846 /nfs/dbraw/zinc/92/68/46/662926846.db2.gz LOJGAKWEEGHWDN-HZPDHXFCSA-N 1 0 385.277 2.598 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN([C@@H]3CCc4cc(Br)ccc4NC3=O)CC[C@@H]21 ZINC000879578673 662929711 /nfs/dbraw/zinc/92/97/11/662929711.db2.gz GKEMBZWBXXTQIK-XOKHGSTOSA-N 1 0 378.314 2.728 20 0 GFADRO O=C(Nc1ccnc(Br)c1)N1CCC([NH2+]C2CCOCC2)CC1 ZINC000879667414 662935256 /nfs/dbraw/zinc/93/52/56/662935256.db2.gz FPNAAMGIPVXTAU-UHFFFAOYSA-N 1 0 383.290 2.609 20 0 GFADRO C[C@H](NC(=O)C[NH+]1CCC2(CCNC2=O)CC1)c1ccc(Cl)c(Cl)c1 ZINC000879916505 662942059 /nfs/dbraw/zinc/94/20/59/662942059.db2.gz FXSSYROGRJRKDD-LBPRGKRZSA-N 1 0 384.307 2.773 20 0 GFADRO C[C@H]1C[C@H](NC(=O)Nc2cn(C)nc2Br)C[N@@H+]1Cc1ccccc1 ZINC000880049501 662947365 /nfs/dbraw/zinc/94/73/65/662947365.db2.gz SIQRSTKNWJEWAQ-JSGCOSHPSA-N 1 0 392.301 2.967 20 0 GFADRO Cn1cc(NC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)c(Br)n1 ZINC000880061671 662949308 /nfs/dbraw/zinc/94/93/08/662949308.db2.gz YZGIBXSYFHEOPP-TZMCWYRMSA-N 1 0 378.274 2.750 20 0 GFADRO Cn1ncc(Br)c1CC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000880218431 662954897 /nfs/dbraw/zinc/95/48/97/662954897.db2.gz IEFHZIRDGLZRLA-HNNXBMFYSA-N 1 0 377.286 2.913 20 0 GFADRO O[C@H](C[NH2+][C@@]1(c2ccc(Br)cc2)C[C@@H](O)C1)COCc1ccco1 ZINC000880221117 662955150 /nfs/dbraw/zinc/95/51/50/662955150.db2.gz KECCGFQYRRQDCW-NUJGCVRESA-N 1 0 396.281 2.559 20 0 GFADRO CC(C)n1ncc(C(=O)N2CCCN(c3cc[nH+]cc3)CC2)c1Br ZINC000880378785 662958923 /nfs/dbraw/zinc/95/89/23/662958923.db2.gz IIINQEJUSKCLCY-UHFFFAOYSA-N 1 0 392.301 2.974 20 0 GFADRO Cn1ncc(Br)c1CC(=O)NC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000880467893 662960510 /nfs/dbraw/zinc/96/05/10/662960510.db2.gz KVVQYSVDHXSIMC-UHFFFAOYSA-N 1 0 393.329 2.752 20 0 GFADRO COc1ccc(CN(CCO)CC(=O)Nc2ccccc2Br)cc1 ZINC000880570848 662962477 /nfs/dbraw/zinc/96/24/77/662962477.db2.gz HEJWQUORIBRMBF-UHFFFAOYSA-N 1 0 393.281 2.891 20 0 GFADRO O[C@@H](COc1cc(Cl)ccc1Cl)C[N@@H+]1C[C@@H](O)CC2(CCOCC2)C1 ZINC000880588646 662963443 /nfs/dbraw/zinc/96/34/43/662963443.db2.gz FTKQDLXIYWMECN-LSDHHAIUSA-N 1 0 390.307 2.597 20 0 GFADRO CC(=O)c1ccc(Br)c(NC(=O)N[C@H]2CCC[N@H+](CCCO)C2)c1 ZINC000880807597 662973528 /nfs/dbraw/zinc/97/35/28/662973528.db2.gz BZDODRDUVDPLPT-AWEZNQCLSA-N 1 0 398.301 2.620 20 0 GFADRO O=C(Nc1cccc(F)c1Br)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000881134909 662982317 /nfs/dbraw/zinc/98/23/17/662982317.db2.gz BRJGICQTIUOVGV-LBPRGKRZSA-N 1 0 386.265 2.651 20 0 GFADRO Cc1cc(N2CCC[C@H](n3cc([C@H](C)[NH3+])nn3)C2=O)ccc1Br ZINC000881339690 662990286 /nfs/dbraw/zinc/99/02/86/662990286.db2.gz QGAFDAADFJVKHL-NHYWBVRUSA-N 1 0 378.274 2.737 20 0 GFADRO C[C@@](O)(Cn1cc([C@@H]2CCC[NH2+]C2)nn1)c1ccc(Br)cc1F ZINC000881424268 662993620 /nfs/dbraw/zinc/99/36/20/662993620.db2.gz LWULAVIBPFCAKS-BDJLRTHQSA-N 1 0 383.265 2.554 20 0 GFADRO O=C(Cc1ccc(Br)cc1)N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000881470004 662995171 /nfs/dbraw/zinc/99/51/71/662995171.db2.gz OOBJUDWMJAGXAU-QGZVFWFLSA-N 1 0 381.314 2.751 20 0 GFADRO C[C@@H](C(=O)N1CCC(C(N)=O)([NH+]2CCCCC2)CC1)c1ccc(Cl)s1 ZINC000881623631 662998266 /nfs/dbraw/zinc/99/82/66/662998266.db2.gz NCKHZEBFPKZGCO-CYBMUJFWSA-N 1 0 383.945 2.837 20 0 GFADRO C[S@@](=O)(=NS(=O)(=O)N1CCC[C@H]([NH+]2CCCC2)CC1)C1CCCCC1 ZINC000881911541 663009544 /nfs/dbraw/zinc/00/95/44/663009544.db2.gz ILVJTSHVMDANRM-FYSMJZIKSA-N 1 0 391.603 2.612 20 0 GFADRO C[C@@H]1C[C@@H](N(C)S(=O)(=O)c2cnc(Cl)cc2C(F)(F)F)CC[N@@H+]1C ZINC000881931680 663010158 /nfs/dbraw/zinc/01/01/58/663010158.db2.gz AWZZFJHUNWQRGA-ZJUUUORDSA-N 1 0 385.839 2.857 20 0 GFADRO C[NH+](C)[C@@H]1CCCN(S(=O)(=O)c2cnc(Cl)cc2C(F)(F)F)CC1 ZINC000882128016 663017586 /nfs/dbraw/zinc/01/75/86/663017586.db2.gz MYBDKHMQUMMIIE-SNVBAGLBSA-N 1 0 385.839 2.859 20 0 GFADRO CC[N@@H+]1CCCN(S(=O)(=O)c2cnc(Cl)cc2C(F)(F)F)[C@H](C)C1 ZINC000882256268 663022645 /nfs/dbraw/zinc/02/26/45/663022645.db2.gz GKTVPQWPVWDSTM-SNVBAGLBSA-N 1 0 385.839 2.859 20 0 GFADRO C[C@@]1(Br)C[C@H]1C(=O)NCCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000882384832 663026345 /nfs/dbraw/zinc/02/63/45/663026345.db2.gz VUSMLMJPCGZAQD-FUHWJXTLSA-N 1 0 395.341 2.693 20 0 GFADRO CC1([NH+]2CCC2)CCN(C(=O)Cc2ccccc2I)CC1 ZINC000882506620 663029536 /nfs/dbraw/zinc/02/95/36/663029536.db2.gz ZSOJLSOLVZDNAF-UHFFFAOYSA-N 1 0 398.288 2.921 20 0 GFADRO C[N@@H+]1C[C@@H](CNc2ccc3nnc(Br)n3n2)[C@H](c2ccccc2)C1 ZINC000882516882 663030003 /nfs/dbraw/zinc/03/00/03/663030003.db2.gz MTARQELGRMVHLA-KGLIPLIRSA-N 1 0 387.285 2.644 20 0 GFADRO C[C@@H]1CN(S(=O)(=O)CC[C@H]2CC2(Cl)Cl)CCN1c1cc[nH+]cc1 ZINC000882619436 663033454 /nfs/dbraw/zinc/03/34/54/663033454.db2.gz KZFPDEVMUVLTCS-OLZOCXBDSA-N 1 0 378.325 2.506 20 0 GFADRO C[N@@H+]1CCCC[C@H]1CCC(=O)Nc1cc(Br)cc2c1NC(=O)CO2 ZINC000883026787 663046965 /nfs/dbraw/zinc/04/69/65/663046965.db2.gz FMOMJVVXJKHHEQ-LBPRGKRZSA-N 1 0 396.285 2.983 20 0 GFADRO O=C(Nc1cc(Br)cc2c1NC(=O)CO2)C1CC[NH+](C2CC2)CC1 ZINC000883026692 663046977 /nfs/dbraw/zinc/04/69/77/663046977.db2.gz BXEWWTJZEUNQLB-UHFFFAOYSA-N 1 0 394.269 2.593 20 0 GFADRO CC1([NH+]2CCC2)CCN(C(=O)c2nc(C3CC3)ncc2Br)CC1 ZINC000883153105 663050509 /nfs/dbraw/zinc/05/05/09/663050509.db2.gz RNYINIBKVOKOEX-UHFFFAOYSA-N 1 0 379.302 2.817 20 0 GFADRO CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]C[C@H](O)C(F)(F)C(F)(F)F)cc1 ZINC000883359582 663053835 /nfs/dbraw/zinc/05/38/35/663053835.db2.gz JRZISRGXRXNSCI-CABZTGNLSA-N 1 0 390.374 2.657 20 0 GFADRO CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+]C[C@H](O)C(F)(F)C(F)(F)F)CC1 ZINC000883361193 663053959 /nfs/dbraw/zinc/05/39/59/663053959.db2.gz WKJNEGCBHSARGZ-MNOVXSKESA-N 1 0 376.366 2.924 20 0 GFADRO C[C@H]([NH2+][C@H]1C[C@H](S(C)(=O)=O)C1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000883373797 663054259 /nfs/dbraw/zinc/05/42/59/663054259.db2.gz CQUWBXHDPSVEQF-YEWWUXTCSA-N 1 0 385.551 2.629 20 0 GFADRO Cc1ccc(C(F)(F)F)cc1S(=O)(=O)N1CCc2sc(C[NH3+])nc2C1 ZINC000883481597 663056102 /nfs/dbraw/zinc/05/61/02/663056102.db2.gz SCWXUYGAZGOVIS-UHFFFAOYSA-N 1 0 391.440 2.676 20 0 GFADRO CCC1([NH3+])CCN(C(=O)Nc2ccc(S(C)(=O)=O)c(C(F)F)c2)CC1 ZINC000883552188 663057063 /nfs/dbraw/zinc/05/70/63/663057063.db2.gz KKDMDSFFYVEWAF-UHFFFAOYSA-N 1 0 375.441 2.763 20 0 GFADRO CCC1([NH3+])CCN(C(=O)C(=O)Nc2ccc(Br)c(C)c2F)CC1 ZINC000883627201 663058230 /nfs/dbraw/zinc/05/82/30/663058230.db2.gz UROHDIPCBFVDML-UHFFFAOYSA-N 1 0 386.265 2.565 20 0 GFADRO CCC1([NH3+])CCN(C(=O)C(=O)Nc2cc(C)c(Br)c(C)c2)CC1 ZINC000883626996 663058241 /nfs/dbraw/zinc/05/82/41/663058241.db2.gz OHRJERKQFCTPCA-UHFFFAOYSA-N 1 0 382.302 2.734 20 0 GFADRO O=C(NCCC[C@@H]1CC1(Cl)Cl)N1CCC([NH2+]C2CCOCC2)CC1 ZINC000883765519 663060325 /nfs/dbraw/zinc/06/03/25/663060325.db2.gz YDKMNCIEUWOQMU-CYBMUJFWSA-N 1 0 378.344 2.903 20 0 GFADRO [NH3+]Cc1ccc2c(c1)CCCN2C(=O)c1nn2c(c1Br)CCC2 ZINC000884029420 663064001 /nfs/dbraw/zinc/06/40/01/663064001.db2.gz LJAZVKUGRKCSNJ-UHFFFAOYSA-N 1 0 375.270 2.644 20 0 GFADRO CC1(C)C[NH2+]C[C@@H]1C(=O)NCC1(c2cccc(Br)c2)CCOCC1 ZINC000884096106 663064868 /nfs/dbraw/zinc/06/48/68/663064868.db2.gz JOGLHNITRLLYBJ-MRXNPFEDSA-N 1 0 395.341 2.859 20 0 GFADRO [NH3+][C@@H](C(=O)N1CCC(OC[C@H]2CCCO2)CC1)c1ccc(Br)cc1 ZINC000884111067 663065415 /nfs/dbraw/zinc/06/54/15/663065415.db2.gz AVVPJEAQHWKRCR-IAGOWNOFSA-N 1 0 397.313 2.636 20 0 GFADRO COc1ccc(NC(=O)c2ccnc(N3CC[NH2+]CC3)c2)cc1Br ZINC000884121777 663065537 /nfs/dbraw/zinc/06/55/37/663065537.db2.gz YMLHQQJBECLELO-UHFFFAOYSA-N 1 0 391.269 2.515 20 0 GFADRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)COCCc3ccc(Br)cc3)C[C@@H]21 ZINC000884248524 663067555 /nfs/dbraw/zinc/06/75/55/663067555.db2.gz TVPCYGBHJCDBAB-BHYGNILZSA-N 1 0 381.314 2.594 20 0 GFADRO [NH3+][C@@H](C(=O)NCc1cccc2c1OCCCO2)c1ccc(Br)cc1 ZINC000884308107 663068554 /nfs/dbraw/zinc/06/85/54/663068554.db2.gz FOJUMQXKAMAHPG-MRXNPFEDSA-N 1 0 391.265 2.927 20 0 GFADRO COCC[C@H]([NH3+])C(=O)N[C@H](Cc1ccccn1)c1ccc(Br)cc1 ZINC000884308697 663068626 /nfs/dbraw/zinc/06/86/26/663068626.db2.gz AGTAIOVVCXKCQH-DLBZAZTESA-N 1 0 392.297 2.608 20 0 GFADRO O=C(COCCc1ccc(Br)cc1)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000884336647 663069322 /nfs/dbraw/zinc/06/93/22/663069322.db2.gz UPLSRFCUJJBXEG-SJLPKXTDSA-N 1 0 395.341 2.999 20 0 GFADRO [NH3+][C@@H](C(=O)NCc1cccnc1N1CCCC1)c1ccc(Br)cc1 ZINC000884399467 663070231 /nfs/dbraw/zinc/07/02/31/663070231.db2.gz FRXREBSJFNATLY-MRXNPFEDSA-N 1 0 389.297 2.761 20 0 GFADRO Cn1ncc(C2CCC2)c1CNC(=O)[C@@H]([NH3+])c1ccc(Br)cc1 ZINC000884412667 663070327 /nfs/dbraw/zinc/07/03/27/663070327.db2.gz XPOFLKWMAZMOKE-INIZCTEOSA-N 1 0 377.286 2.766 20 0 GFADRO C[NH+]1CCC(OCC(=O)N2CCc3cc(Br)c(F)cc3C2)CC1 ZINC000884925183 663078508 /nfs/dbraw/zinc/07/85/08/663078508.db2.gz QXTJFBSWFARJNS-UHFFFAOYSA-N 1 0 385.277 2.584 20 0 GFADRO O=S(=O)(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cc(Br)c(F)cc1F ZINC000884950938 663079210 /nfs/dbraw/zinc/07/92/10/663079210.db2.gz UYPCWNOHFTUKMS-NXEZZACHSA-N 1 0 395.269 2.632 20 0 GFADRO C[C@@H](Oc1cccc(Br)c1)C(=O)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000885872435 663099704 /nfs/dbraw/zinc/09/97/04/663099704.db2.gz FYCOVWDGDYYKGI-CZUORRHYSA-N 1 0 397.313 2.586 20 0 GFADRO C[C@H](Cc1ccc(Br)cc1)C(=O)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000885875048 663099864 /nfs/dbraw/zinc/09/98/64/663099864.db2.gz DSWYZQFXHZOXHJ-RDTXWAMCSA-N 1 0 395.341 2.997 20 0 GFADRO C[C@H](C(=O)NC[C@@H]1CC[N@@H+]1C1CCOCC1)c1ccc(Br)cc1 ZINC000885875998 663099967 /nfs/dbraw/zinc/09/99/67/663099967.db2.gz MPSFDJWFDRFQEU-GUYCJALGSA-N 1 0 381.314 2.922 20 0 GFADRO O=C(Cc1ccc(F)cc1Br)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000885878983 663100270 /nfs/dbraw/zinc/10/02/70/663100270.db2.gz CEILRABPTBKPSJ-HNNXBMFYSA-N 1 0 385.277 2.500 20 0 GFADRO C/C(=C/c1ccc(Br)o1)C(=O)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000885892708 663100711 /nfs/dbraw/zinc/10/07/11/663100711.db2.gz BFNFYOWWEMBVAH-HCYCVZQXSA-N 1 0 383.286 2.815 20 0 GFADRO CN(C)S(=O)(=O)C1(C[NH2+]Cc2cnc(-c3ccc(Cl)cc3)s2)CC1 ZINC000886320993 663108156 /nfs/dbraw/zinc/10/81/56/663108156.db2.gz NOZRNAQHJZNESM-UHFFFAOYSA-N 1 0 385.942 2.977 20 0 GFADRO COC(=O)[C@@H]1CC[C@H]([NH2+]Cc2nnc3c(Cl)cc(C(F)(F)F)cn23)C1 ZINC000886499044 663113025 /nfs/dbraw/zinc/11/30/25/663113025.db2.gz YNUTWJGOFJRVRF-SCZZXKLOSA-N 1 0 376.766 2.833 20 0 GFADRO O[C@H](COc1ccc(Br)cc1)C[N@@H+]1CCC[C@@H](c2ncccn2)C1 ZINC000886672339 663115468 /nfs/dbraw/zinc/11/54/68/663115468.db2.gz MOQNJCDSUPVYTP-ZBFHGGJFSA-N 1 0 392.297 2.858 20 0 GFADRO COc1ccc([C@@H](C)[NH2+]CC2(S(=O)(=O)N(C)C)CC2)cc1Br ZINC000886732983 663116394 /nfs/dbraw/zinc/11/63/94/663116394.db2.gz WTPFFRDMBXFGFS-LLVKDONJSA-N 1 0 391.331 2.532 20 0 GFADRO C[C@@H](C(=O)NC1(c2ncc(Br)cn2)CCC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000886836655 663121280 /nfs/dbraw/zinc/12/12/80/663121280.db2.gz JPSOZBOVCYRMES-XQQFMLRXSA-N 1 0 381.318 2.996 20 0 GFADRO Cc1cc(Br)ccc1CS(=O)(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000886882094 663123309 /nfs/dbraw/zinc/12/33/09/663123309.db2.gz DPBKWTCZAIFJPJ-CHWSQXEVSA-N 1 0 375.332 2.565 20 0 GFADRO COC[C@@H]([NH2+]CC(=O)Nc1ccc(Br)cc1F)[C@@H]1CCCOC1 ZINC000886910107 663124618 /nfs/dbraw/zinc/12/46/18/663124618.db2.gz LLDMLTRSDGEXSG-IAQYHMDHSA-N 1 0 389.265 2.558 20 0 GFADRO [NH3+]C[C@H]1CC[C@@H](NC(=O)C(=O)Nc2cc(Br)c3ccccc3c2)C1 ZINC000886983583 663127330 /nfs/dbraw/zinc/12/73/30/663127330.db2.gz CGWNMYXRYLCTNL-WCQYABFASA-N 1 0 390.281 2.784 20 0 GFADRO Clc1cccc(Cc2nc(-c3cn(C[C@@H]4C[NH2+]CCO4)nn3)cs2)c1 ZINC000887391518 663144113 /nfs/dbraw/zinc/14/41/13/663144113.db2.gz DESMEZKYSOIWFF-AWEZNQCLSA-N 1 0 375.885 2.634 20 0 GFADRO C[NH+](C)CCN(Cc1ccccc1)C(=O)c1nn2c(c1Br)CCC2 ZINC000887768820 663160918 /nfs/dbraw/zinc/16/09/18/663160918.db2.gz LVNINIKLDGORMI-UHFFFAOYSA-N 1 0 391.313 2.796 20 0 GFADRO C[N@H+](CCCO)C1CCN(C(=O)Nc2nc3ccc(Cl)nc3s2)CC1 ZINC000888785332 663215532 /nfs/dbraw/zinc/21/55/32/663215532.db2.gz WQANUSQQASVXIH-UHFFFAOYSA-N 1 0 383.905 2.655 20 0 GFADRO COC(=O)[C@](C)(NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)c1cccc(Br)c1 ZINC000888863090 663220715 /nfs/dbraw/zinc/22/07/15/663220715.db2.gz ZUSZOOFKOBDYNH-ZJNRKIDTSA-N 1 0 397.313 2.684 20 0 GFADRO Cc1c(Br)cncc1NC(=O)c1cccc(N2CC[NH+](C)CC2)n1 ZINC000888899748 663224289 /nfs/dbraw/zinc/22/42/89/663224289.db2.gz ZKIHJUSSHPPWDR-UHFFFAOYSA-N 1 0 390.285 2.552 20 0 GFADRO C[C@H](CNC(=O)c1nn2c(c1Br)CCC2)[N@H+](C)Cc1ccccc1 ZINC000888909389 663224943 /nfs/dbraw/zinc/22/49/43/663224943.db2.gz GQWYLWLWPDJVAQ-CYBMUJFWSA-N 1 0 391.313 2.842 20 0 GFADRO CN(C(=O)c1cn(C)nc1Br)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000889317873 663241107 /nfs/dbraw/zinc/24/11/07/663241107.db2.gz BMFRLNSENXBGSH-HNNXBMFYSA-N 1 0 391.313 2.919 20 0 GFADRO O=C(CCc1cccc(F)c1Br)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000889749928 663262938 /nfs/dbraw/zinc/26/29/38/663262938.db2.gz KBBONCPVWHMZLY-JKSUJKDBSA-N 1 0 399.304 2.578 20 0 GFADRO CCc1sc(C(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)cc1Br ZINC000889751036 663263211 /nfs/dbraw/zinc/26/32/11/663263211.db2.gz PGRLYGLARMLOHJ-STQMWFEESA-N 1 0 387.343 2.744 20 0 GFADRO C[C@H](C(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO)c1ccc(Br)cc1 ZINC000889760010 663264121 /nfs/dbraw/zinc/26/41/21/663264121.db2.gz AGCXSQZANABUOV-XKQJLSEDSA-N 1 0 381.314 2.610 20 0 GFADRO O=C(c1cc2cc(Br)ccc2[nH]1)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000889777409 663266389 /nfs/dbraw/zinc/26/63/89/663266389.db2.gz YZVMQGUQZJMIKU-DLBZAZTESA-N 1 0 392.297 2.602 20 0 GFADRO Cc1nc(-c2cccs2)sc1C(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000889782754 663266482 /nfs/dbraw/zinc/26/64/82/663266482.db2.gz SQSNDMULMRGZAJ-KBPBESRZSA-N 1 0 377.535 2.851 20 0 GFADRO CC(C)[C@H](C(=O)N1CCn2c(c(Br)nc2C(F)(F)F)C1)[NH+](C)C ZINC000890202962 663290073 /nfs/dbraw/zinc/29/00/73/663290073.db2.gz WVFXRDKOICLBAE-SNVBAGLBSA-N 1 0 397.239 2.593 20 0 GFADRO CN(CC(C)(C)C[NH+](C)C)C(=O)c1cc(Br)c2ncc(C=O)n2c1 ZINC000890879120 663315750 /nfs/dbraw/zinc/31/57/50/663315750.db2.gz PCAABXLJQMZWHO-UHFFFAOYSA-N 1 0 395.301 2.569 20 0 GFADRO COCC[NH+](CCOC)C1CCN(C(=O)c2cscc2C(F)F)CC1 ZINC000890892306 663316272 /nfs/dbraw/zinc/31/62/72/663316272.db2.gz OGWZQODKGBUAQB-UHFFFAOYSA-N 1 0 376.469 2.885 20 0 GFADRO CC[NH+]1CCC(NC(=O)c2ncccc2Br)(C(F)(F)F)CC1 ZINC000891213091 663329868 /nfs/dbraw/zinc/32/98/68/663329868.db2.gz HQHWIBJTWNYZOO-UHFFFAOYSA-N 1 0 380.208 2.991 20 0 GFADRO COc1ccc(Br)c(CNC(=O)NC[C@@H]2C[NH2+]CCC2(F)F)c1 ZINC000891390858 663338069 /nfs/dbraw/zinc/33/80/69/663338069.db2.gz MLFORVATUSTAGE-NSHDSACASA-N 1 0 392.244 2.502 20 0 GFADRO [NH3+]C[C@H]1CC[C@H](NC(=O)NCCC(=O)Nc2ccc(Br)cc2)CC1 ZINC000891404660 663338453 /nfs/dbraw/zinc/33/84/53/663338453.db2.gz PAUNEYFGAKIEGL-NNUKFRKNSA-N 1 0 397.317 2.594 20 0 GFADRO COc1cc(Br)c(CNC(=O)N[C@]23CCC[C@H]2[NH2+]CC3)cc1OC ZINC000891494101 663341254 /nfs/dbraw/zinc/34/12/54/663341254.db2.gz GZESXBCQJARYDL-WBVHZDCISA-N 1 0 398.301 2.550 20 0 GFADRO COc1ccc([C@@H](C)NC(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)cc1Br ZINC000891638787 663346073 /nfs/dbraw/zinc/34/60/73/663346073.db2.gz PFPZBMDRPOWEAK-BNOWGMLFSA-N 1 0 382.302 2.722 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)NCc2ccsc2Br)C[C@@H]1C(F)(F)F ZINC000891889112 663354499 /nfs/dbraw/zinc/35/44/99/663354499.db2.gz JULWXSREHVPVLI-BDAKNGLRSA-N 1 0 386.237 2.789 20 0 GFADRO CC(C)c1ccc([C@@H]([NH3+])CNC(=O)NCc2c(Br)cnn2C)cc1 ZINC000891994142 663357788 /nfs/dbraw/zinc/35/77/88/663357788.db2.gz UFWPHUVTHIEAJO-HNNXBMFYSA-N 1 0 394.317 2.805 20 0 GFADRO [NH3+][C@H]1CCC[C@H](NC(=O)NCc2ccn(-c3ccc(Br)cc3)n2)C1 ZINC000892087773 663361340 /nfs/dbraw/zinc/36/13/40/663361340.db2.gz CHRSEPACJURNPI-KBPBESRZSA-N 1 0 392.301 2.704 20 0 GFADRO O=C(NCCC1=CC[NH2+]CC1)N[C@@H]1[C@@H]2Cc3ccc(Br)cc3[C@@H]21 ZINC000892100807 663361624 /nfs/dbraw/zinc/36/16/24/663361624.db2.gz NIFNRVYPYIMCLN-IXDOHACOSA-N 1 0 376.298 2.696 20 0 GFADRO O=C(NCc1ccc(Br)cn1)NC[C@H]1[NH2+]CCc2ccccc21 ZINC000892119084 663362453 /nfs/dbraw/zinc/36/24/53/663362453.db2.gz LRPDZTMJSZHZJM-MRXNPFEDSA-N 1 0 375.270 2.530 20 0 GFADRO O=C(NCc1ncc(Br)s1)NC[C@H]1[NH2+]CCc2ccccc21 ZINC000892121282 663362670 /nfs/dbraw/zinc/36/26/70/663362670.db2.gz ZSDYEGFCQDOUJS-GFCCVEGCSA-N 1 0 381.299 2.592 20 0 GFADRO C[C@@H]1CCC[C@](CNC(=O)NCc2ncc(Br)cn2)([NH+](C)C)C1 ZINC000892238024 663366697 /nfs/dbraw/zinc/36/66/97/663366697.db2.gz VNGIEESPZQYABZ-WBMJQRKESA-N 1 0 384.322 2.549 20 0 GFADRO CC[N@@H+]1CCCN(c2ncnc3c2c(Br)nn3C(C)(C)C)CC1 ZINC000892425781 663373413 /nfs/dbraw/zinc/37/34/13/663373413.db2.gz PQSVGNYLDFKMMJ-UHFFFAOYSA-N 1 0 381.322 2.876 20 0 GFADRO CC1(C)C[NH2+]CC[C@@H](NC(=O)N2CCC(n3cc(Br)cn3)CC2)C1 ZINC000892494232 663375438 /nfs/dbraw/zinc/37/54/38/663375438.db2.gz AJEMXGVSLPAVSX-CQSZACIVSA-N 1 0 398.349 2.770 20 0 GFADRO CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)NCc2ccc(Br)cn2)CC1 ZINC000892617609 663378919 /nfs/dbraw/zinc/37/89/19/663378919.db2.gz WZVSIZPBEQVNGB-OAHLLOKOSA-N 1 0 381.318 2.764 20 0 GFADRO C[C@]1(Br)C[C@H]1C[NH2+]Cc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000892770968 663384111 /nfs/dbraw/zinc/38/41/11/663384111.db2.gz PDNPZPBJQRORDB-HOCLYGCPSA-N 1 0 387.343 2.734 20 0 GFADRO CCOC(=O)c1ncc(Br)c(N(CC[NH+](C)C)Cc2ccco2)n1 ZINC000892910486 663389135 /nfs/dbraw/zinc/38/91/35/663389135.db2.gz DBBXVFOVNGPZLY-UHFFFAOYSA-N 1 0 397.273 2.577 20 0 GFADRO CCC1([NH3+])CCN(C(=O)N[C@@H](CCO)c2ccccc2Br)CC1 ZINC000892926927 663390118 /nfs/dbraw/zinc/39/01/18/663390118.db2.gz ZYGVEUDIGMJXRD-HNNXBMFYSA-N 1 0 384.318 2.786 20 0 GFADRO O=C(O[C@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@@H]1Cc2ccc(Br)cc2C(=O)O1 ZINC000892962392 663391507 /nfs/dbraw/zinc/39/15/07/663391507.db2.gz MFJZKGPIGUMQGS-YCPHGPKFSA-N 1 0 394.265 2.701 20 0 GFADRO Oc1cc(Br)cnc1C[NH2+]Cc1cc(F)ccc1N1CCOCC1 ZINC000893000303 663392713 /nfs/dbraw/zinc/39/27/13/663392713.db2.gz HAJRLNINAOHHAZ-UHFFFAOYSA-N 1 0 396.260 2.815 20 0 GFADRO C[C@H](Cc1cc(Br)ccc1F)[NH2+][C@H](C)[C@@H]1CCS(=O)(=O)C1 ZINC000893214949 663402201 /nfs/dbraw/zinc/40/22/01/663402201.db2.gz BIKJFMNKROGSCO-IJLUTSLNSA-N 1 0 378.307 2.932 20 0 GFADRO CC(C)[NH2+][C@@H]1CCCN(C(=O)c2cc(Br)c3nccnc3c2)C1 ZINC000893798022 663425348 /nfs/dbraw/zinc/42/53/48/663425348.db2.gz HLIGNUAHXYBBQP-CYBMUJFWSA-N 1 0 377.286 2.995 20 0 GFADRO CN(Cc1nc(Br)nn1C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000894003508 663436853 /nfs/dbraw/zinc/43/68/53/663436853.db2.gz MFTTVNODZVEORN-UHFFFAOYSA-N 1 0 378.318 2.674 20 0 GFADRO CC(C)(C)S(=O)(=O)N1CCC([NH2+]Cc2csc(C(F)(F)F)n2)CC1 ZINC000894022127 663437919 /nfs/dbraw/zinc/43/79/19/663437919.db2.gz MTHQQOYDJUXGOQ-UHFFFAOYSA-N 1 0 385.477 2.844 20 0 GFADRO C[C@H](NC(=O)NCc1ncc(Br)cn1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000894106012 663442814 /nfs/dbraw/zinc/44/28/14/663442814.db2.gz NFAKNPYASQXJFB-QWHCGFSZSA-N 1 0 396.333 2.691 20 0 GFADRO C[C@@H](NC(=O)NCc1ncc(Br)cn1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000894106011 663442843 /nfs/dbraw/zinc/44/28/43/663442843.db2.gz NFAKNPYASQXJFB-OLZOCXBDSA-N 1 0 396.333 2.691 20 0 GFADRO C[C@H]1CC[N@H+](CCOc2ccc(NCc3nc(Br)nn3C)cc2)C1 ZINC000894115965 663443673 /nfs/dbraw/zinc/44/36/73/663443673.db2.gz LIXIMFFKABNLQH-ZDUSSCGKSA-N 1 0 394.317 2.910 20 0 GFADRO Cn1nc(Br)nc1C[NH2+]CCCNc1ccc(C(F)(F)F)cn1 ZINC000894171885 663446675 /nfs/dbraw/zinc/44/66/75/663446675.db2.gz DEABFKMKNVYLRG-UHFFFAOYSA-N 1 0 393.211 2.583 20 0 GFADRO Cc1cccc2oc(CC[NH2+]Cc3c(I)cnn3C)nc21 ZINC000894303608 663453350 /nfs/dbraw/zinc/45/33/50/663453350.db2.gz DTLDPGWPCKHWSJ-UHFFFAOYSA-N 1 0 396.232 2.807 20 0 GFADRO C[C@@H](C[C@@H](O)c1ccccc1)[NH2+]Cc1cn(C)nc1I ZINC000894366464 663458080 /nfs/dbraw/zinc/45/80/80/663458080.db2.gz GXQZSRWTEJLBKB-SMDDNHRTSA-N 1 0 385.249 2.627 20 0 GFADRO Cn1ncc(I)c1CN[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000894366952 663458450 /nfs/dbraw/zinc/45/84/50/663458450.db2.gz IOLLOKQJVLRFGD-ZBFHGGJFSA-N 1 0 396.276 2.560 20 0 GFADRO O=C(C[NH2+]CC1CCC2(CC1)OCCO2)Nc1ccc(Br)cc1 ZINC000894375387 663459067 /nfs/dbraw/zinc/45/90/67/663459067.db2.gz KGJPPEBYCALCIZ-UHFFFAOYSA-N 1 0 383.286 2.911 20 0 GFADRO C[C@H](NCc1nc(Br)nn1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000894423358 663460761 /nfs/dbraw/zinc/46/07/61/663460761.db2.gz PEAKGUDCYBZSPJ-DZGCQCFKSA-N 1 0 378.318 2.578 20 0 GFADRO CC[N@H+](CCNC(=O)N1CC[C@H](Cc2nccs2)C1)CCC(F)(F)F ZINC000894430539 663461279 /nfs/dbraw/zinc/46/12/79/663461279.db2.gz YVWDVZMIJPLYOY-CYBMUJFWSA-N 1 0 378.464 2.991 20 0 GFADRO C[C@H](NCc1cn(C)nc1I)[C@@H](c1ccccc1)[NH+](C)C ZINC000894480051 663464376 /nfs/dbraw/zinc/46/43/76/663464376.db2.gz MSWBSSRBAWCRIE-WFASDCNBSA-N 1 0 398.292 2.806 20 0 GFADRO Cn1cc(C[NH2+][C@H]2CCc3ccccc3OC2)c(I)n1 ZINC000894677339 663475797 /nfs/dbraw/zinc/47/57/97/663475797.db2.gz YZEJURKTIAZWLS-ZDUSSCGKSA-N 1 0 383.233 2.508 20 0 GFADRO CC[C@H](CNS(C)(=O)=O)[NH2+]Cc1sccc1NC(=O)OC(C)(C)C ZINC000894696828 663476798 /nfs/dbraw/zinc/47/67/98/663476798.db2.gz ZWAZVKXRNOYKPK-LLVKDONJSA-N 1 0 377.532 2.513 20 0 GFADRO CCc1nnc(C[NH2+]C[C@H](CO)Cc2cc(Br)ccc2F)s1 ZINC000894751372 663479391 /nfs/dbraw/zinc/47/93/91/663479391.db2.gz TWXZUEXEBUQHGH-SNVBAGLBSA-N 1 0 388.306 2.943 20 0 GFADRO COc1ccc(C[C@@H](CO)C[NH2+]Cc2c(C)ccnc2N)cc1Br ZINC000894918960 663488149 /nfs/dbraw/zinc/48/81/49/663488149.db2.gz ZGNNTYZRCYLHTQ-CQSZACIVSA-N 1 0 394.313 2.684 20 0 GFADRO C[N@@H+]1CC[C@H]2CN(c3ncnc4c3c(Br)nn4C(C)(C)C)CC[C@H]21 ZINC000895021599 663495702 /nfs/dbraw/zinc/49/57/02/663495702.db2.gz HLFADCOYLZZTNU-NWDGAFQWSA-N 1 0 393.333 2.874 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+][C@@H]1C(=O)NCC1(C)C ZINC000895316820 663507852 /nfs/dbraw/zinc/50/78/52/663507852.db2.gz RLGQHBKQJWJRPX-OAHLLOKOSA-N 1 0 377.286 2.557 20 0 GFADRO C[C@@]1(Br)C[C@@H]1C[NH+]1CCC(c2nccc(N3CCOCC3)n2)CC1 ZINC000895491821 663517014 /nfs/dbraw/zinc/51/70/14/663517014.db2.gz OJEUGFWQFLIOKL-CRAIPNDOSA-N 1 0 395.345 2.666 20 0 GFADRO C[C@H]1CCC[C@@](CNC(=O)c2nn3c(c2Br)CCC3)([NH+](C)C)C1 ZINC000895834995 663529394 /nfs/dbraw/zinc/52/93/94/663529394.db2.gz VORAQQLOPNGDHA-YVEFUNNKSA-N 1 0 383.334 2.832 20 0 GFADRO C[C@@H]1CCC[C@@](CNC(=O)c2nn3c(c2Br)CCC3)([NH+](C)C)C1 ZINC000895834994 663529457 /nfs/dbraw/zinc/52/94/57/663529457.db2.gz VORAQQLOPNGDHA-SJKOYZFVSA-N 1 0 383.334 2.832 20 0 GFADRO O=C(/C=C\C=C(Cl)Cl)NCc1ccccc1OCCN1CCOCC1 ZINC000895945537 663534580 /nfs/dbraw/zinc/53/45/80/663534580.db2.gz WOKNMGFTTHYNLD-CLTKARDFSA-N 1 0 385.291 2.889 20 0 GFADRO O=C(NCC/C=C/c1ccc(Br)cc1)NCC[NH+]1CCC(O)CC1 ZINC000895951961 663534775 /nfs/dbraw/zinc/53/47/75/663534775.db2.gz JOWXMLXEJODLLH-HNQUOIGGSA-N 1 0 396.329 2.608 20 0 GFADRO CCO[P@](C)(=O)CC[C@H](C)[NH2+]CC1(S(=O)(=O)NC(C)(C)C)CCC1 ZINC000896281780 663548786 /nfs/dbraw/zinc/54/87/86/663548786.db2.gz IBJPYPKGPJEWID-PSLXWICFSA-N 1 0 382.507 2.940 20 0 GFADRO C[C@H](NC(=O)c1cc(Cl)c(F)cc1Br)[C@@H]1C[N@H+](C)CCN1C ZINC000896540169 663562635 /nfs/dbraw/zinc/56/26/35/663562635.db2.gz VEIVOZUPMJBYOF-XPTSAGLGSA-N 1 0 392.700 2.606 20 0 GFADRO C[C@@H](NC(=O)CCCc1ccc(Br)s1)[C@@H]1C[N@H+](C)CCN1C ZINC000896575907 663565550 /nfs/dbraw/zinc/56/55/50/663565550.db2.gz CYTLLZYADMSLSI-OCCSQVGLSA-N 1 0 388.375 2.584 20 0 GFADRO O=C(/C=C\C=C(Cl)Cl)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000896623398 663568778 /nfs/dbraw/zinc/56/87/78/663568778.db2.gz DNRVRDFIVAHLCG-UTCJRWHESA-N 1 0 388.339 2.702 20 0 GFADRO O=C(CCCc1ccc(Br)cc1)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000896685662 663571788 /nfs/dbraw/zinc/57/17/88/663571788.db2.gz YZXZEOMWERFASH-KRWDZBQOSA-N 1 0 395.341 2.953 20 0 GFADRO Cn1cc(C(=O)NC[C@H](c2ccc(Cl)cc2)[NH+](C)C)c(Br)n1 ZINC000896800832 663576670 /nfs/dbraw/zinc/57/66/70/663576670.db2.gz KVKSXQVFACTXIF-CYBMUJFWSA-N 1 0 385.693 2.869 20 0 GFADRO CC(C)(C[NH+]1CCC2(CC1)C[C@@H](O)CNC2=O)c1ccc(Br)cc1 ZINC000897047437 663588264 /nfs/dbraw/zinc/58/82/64/663588264.db2.gz VHMVMRYVKLZZPN-MRXNPFEDSA-N 1 0 395.341 2.690 20 0 GFADRO CN1CCN(c2ccc(Br)c(C(F)(F)F)n2)CC[N@H+](C)CC1 ZINC000897093694 663591723 /nfs/dbraw/zinc/59/17/23/663591723.db2.gz CTZDSZOMUGCLBA-UHFFFAOYSA-N 1 0 381.240 2.547 20 0 GFADRO CC1(C)CC[N@H+](CCNc2cnn(CC(F)(F)F)c(=O)c2Br)C1 ZINC000897248244 663596736 /nfs/dbraw/zinc/59/67/36/663596736.db2.gz NPXJANZHEWTSHB-UHFFFAOYSA-N 1 0 397.239 2.712 20 0 GFADRO C[C@H]1CCC[N@@H+]1CCNC(=O)N(C)C[C@H](O)c1ccccc1Br ZINC000897509196 663607639 /nfs/dbraw/zinc/60/76/39/663607639.db2.gz VOBVIYAYBFXKPZ-BBRMVZONSA-N 1 0 384.318 2.608 20 0 GFADRO C[NH+](C)CCc1ccc(CNC(=O)c2nn3c(c2Br)CCC3)cc1 ZINC000897516588 663608121 /nfs/dbraw/zinc/60/81/21/663608121.db2.gz OJPFPRGFHDYXMJ-UHFFFAOYSA-N 1 0 391.313 2.626 20 0 GFADRO C[C@@H]1CCC[N@@H+]1CCNC(=O)N1CCC[C@H]1c1ncc(Br)cn1 ZINC000897518818 663608382 /nfs/dbraw/zinc/60/83/82/663608382.db2.gz LAFXYCPHWMFSSC-OCCSQVGLSA-N 1 0 382.306 2.570 20 0 GFADRO C[N@@H+]1CCCC[C@@H](CNC(=O)N[C@H](CCO)c2ccccc2Br)C1 ZINC000897550973 663609869 /nfs/dbraw/zinc/60/98/69/663609869.db2.gz AFZBSDTYXIXIRO-WMLDXEAASA-N 1 0 398.345 2.904 20 0 GFADRO Nc1c(Br)cc(Br)cc1C[NH2+][C@H]1CC12CC(O)C2 ZINC000897847910 663622408 /nfs/dbraw/zinc/62/24/08/663622408.db2.gz FGJBFFQACURAOV-QDYJBQRPSA-N 1 0 376.092 2.797 20 0 GFADRO O=C(NC/C=C/c1ccc(Br)cc1)C1C[NH+](C2CCOCC2)C1 ZINC000897892144 663624523 /nfs/dbraw/zinc/62/45/23/663624523.db2.gz FIMXIOUXVHYGLR-OWOJBTEDSA-N 1 0 379.298 2.689 20 0 GFADRO COC[C@@H](Cc1ccccc1)[NH2+][C@@H]1Cc2cc(Br)cnc2NC1=O ZINC000897976913 663627820 /nfs/dbraw/zinc/62/78/20/663627820.db2.gz DJYUJULONSGIMK-HZPDHXFCSA-N 1 0 390.281 2.555 20 0 GFADRO C[C@@H](Cc1ccc(O)cc1)[NH2+][C@@H]1Cc2cc(Br)cnc2NC1=O ZINC000897977628 663627994 /nfs/dbraw/zinc/62/79/94/663627994.db2.gz GHOOAYIYLYQFPV-ZUZCIYMTSA-N 1 0 376.254 2.634 20 0 GFADRO C[C@H](C(=O)N1CCC(CO)([NH2+]CC2CC2)CC1)c1ccc(Br)cc1 ZINC000898115099 663634216 /nfs/dbraw/zinc/63/42/16/663634216.db2.gz OYOWPDNATDXEQS-AWEZNQCLSA-N 1 0 395.341 2.906 20 0 GFADRO Cc1c(Br)ccc(C(=O)N2CCC(CO)([NH2+]CC3CC3)CC2)c1F ZINC000898113651 663634315 /nfs/dbraw/zinc/63/43/15/663634315.db2.gz HXAASALYQOLTHL-UHFFFAOYSA-N 1 0 399.304 2.863 20 0 GFADRO COc1ccc([C@@H](C)[NH2+][C@@H]2CCN(c3cc(=O)[nH]cn3)C2)c(Br)c1 ZINC000898152435 663635846 /nfs/dbraw/zinc/63/58/46/663635846.db2.gz IEFQSNMKFAIJKI-VXGBXAGGSA-N 1 0 393.285 2.883 20 0 GFADRO O=c1cc(N2CC[C@H]([NH2+]Cc3ccc(Cl)c(Br)c3)C2)nc[nH]1 ZINC000898155798 663636346 /nfs/dbraw/zinc/63/63/46/663636346.db2.gz RRCZRMRNCGDJBF-NSHDSACASA-N 1 0 383.677 2.967 20 0 GFADRO CCO[P@@](C)(=O)CC[C@@H](C)[NH2+]Cc1cccc(N(C)S(C)(=O)=O)c1 ZINC000898282607 663641916 /nfs/dbraw/zinc/64/19/16/663641916.db2.gz HWABEOMBURQDRS-QKFKETGDSA-N 1 0 376.459 2.895 20 0 GFADRO COC(=O)C1CC2(C1)C[C@H]([NH2+][C@@H](C)CCc1ccsc1)CCS2(=O)=O ZINC000898487243 663652288 /nfs/dbraw/zinc/65/22/88/663652288.db2.gz JRMLIMWWTUHXLD-OBYFKMTLSA-N 1 0 385.551 2.558 20 0 GFADRO OC[C@@H]([NH2+]C1CC(n2cccn2)C1)c1ccccc1I ZINC000898512370 663654010 /nfs/dbraw/zinc/65/40/10/663654010.db2.gz JVNRJCXOEQTMLN-KOHJWAIASA-N 1 0 383.233 2.514 20 0 GFADRO O=C(NC1CC[NH+](C2CCOCC2)CC1)c1c(F)cccc1Br ZINC000898633094 663658669 /nfs/dbraw/zinc/65/86/69/663658669.db2.gz XGCVMYWZVGTAGB-UHFFFAOYSA-N 1 0 385.277 2.961 20 0 GFADRO Brc1cnc2n1C[C@H]([NH2+]Cc1ccc(O[C@H]3CCOC3)cc1)CC2 ZINC000898719489 663660309 /nfs/dbraw/zinc/66/03/09/663660309.db2.gz GCNSYQUHNPOCPI-ZBFHGGJFSA-N 1 0 392.297 2.918 20 0 GFADRO Cn1cc(C(=O)N2CC[C@H]([N@H+](C)CCc3ccccc3)C2)c(Br)n1 ZINC000898722942 663660854 /nfs/dbraw/zinc/66/08/54/663660854.db2.gz DPCDFXGSYZCVLM-HNNXBMFYSA-N 1 0 391.313 2.572 20 0 GFADRO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CCc3ncc(Br)n3C2)C[C@H]1C ZINC000898723893 663661135 /nfs/dbraw/zinc/66/11/35/663661135.db2.gz JFSOTMIIRRUISX-XJFOESAGSA-N 1 0 384.318 2.918 20 0 GFADRO COc1cc(C[NH2+][C@@H]2CCc3ncc(Br)n3C2)cc2c1OCCO2 ZINC000898726715 663661818 /nfs/dbraw/zinc/66/18/18/663661818.db2.gz LWCUOJCTKLZNGB-GFCCVEGCSA-N 1 0 394.269 2.530 20 0 GFADRO CC[C@H](C)[NH2+][C@@H](CNC(=O)C1(n2cc(Br)cn2)CC1)c1ccco1 ZINC000899080912 663674446 /nfs/dbraw/zinc/67/44/46/663674446.db2.gz ZGVHEYWYTLSSGO-JSGCOSHPSA-N 1 0 395.301 2.973 20 0 GFADRO C[N@@H+]1CC[C@H]2CN(C(=O)COCCc3ccc(Br)cc3)CC[C@H]21 ZINC000899177574 663678641 /nfs/dbraw/zinc/67/86/41/663678641.db2.gz BTTNTWKBIKUMNR-DOTOQJQBSA-N 1 0 381.314 2.561 20 0 GFADRO CCC1([NH+]2CCC2)CCN(C(=O)c2ccc(OC)c(Br)n2)CC1 ZINC000899558546 663693717 /nfs/dbraw/zinc/69/37/17/663693717.db2.gz ORFMLANYCHCSBD-UHFFFAOYSA-N 1 0 382.302 2.943 20 0 GFADRO S=C(NC[C@@H]1CC[N@@H+]1C1CCOCC1)Nc1cccc(Br)c1 ZINC000899602523 663695090 /nfs/dbraw/zinc/69/50/90/663695090.db2.gz SQRPVQYFONALLT-HNNXBMFYSA-N 1 0 384.343 2.989 20 0 GFADRO OCC[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=S)Nc1cccc(Br)c1 ZINC000899664209 663697652 /nfs/dbraw/zinc/69/76/52/663697652.db2.gz HYSKNTOVRNPXBY-HUUCEWRRSA-N 1 0 384.343 2.677 20 0 GFADRO C[NH+](C)Cc1ccccc1CNC(=O)[C@@H](O)c1cccc(Br)c1 ZINC000899989805 663706293 /nfs/dbraw/zinc/70/62/93/663706293.db2.gz CMZJHKDBRJXZDL-KRWDZBQOSA-N 1 0 377.282 2.861 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)c1nn2c(c1Br)CCC2)C1CCCCC1 ZINC000900197990 663709486 /nfs/dbraw/zinc/70/94/86/663709486.db2.gz OWWPTOFQRGTEMT-CQSZACIVSA-N 1 0 383.334 2.832 20 0 GFADRO C[N@@H+]1CCC[C@@](O)(CC(=O)N2CCC[C@@H]2c2ccc(Br)cc2)C1 ZINC000900292579 663711825 /nfs/dbraw/zinc/71/18/25/663711825.db2.gz CCGOGKQDXHOJLM-SJLPKXTDSA-N 1 0 381.314 2.959 20 0 GFADRO COCC[NH+]1CCC(NC(=O)Cc2c[nH]c3ccc(Br)cc23)CC1 ZINC000900382787 663713524 /nfs/dbraw/zinc/71/35/24/663713524.db2.gz JJZCKTMCFSXZCI-UHFFFAOYSA-N 1 0 394.313 2.700 20 0 GFADRO [NH3+]CC1([C@@H]2CCCCN2C(=O)c2nc3ccc(Br)cn3n2)CCC1 ZINC000900479439 663715333 /nfs/dbraw/zinc/71/53/33/663715333.db2.gz HGICQOLEYKTBDS-ZDUSSCGKSA-N 1 0 392.301 2.616 20 0 GFADRO O=C(N[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1nc(Br)cs1 ZINC000900483039 663715335 /nfs/dbraw/zinc/71/53/35/663715335.db2.gz BXCPVGMUTTUWBX-MEDUHNTESA-N 1 0 394.294 2.891 20 0 GFADRO Cc1cc(Cn2cc(CNC3CC[NH+](C)CC3)nn2)ccc1Br ZINC000900563570 663717232 /nfs/dbraw/zinc/71/72/32/663717232.db2.gz SRTBRTSZDNCKHA-UHFFFAOYSA-N 1 0 378.318 2.581 20 0 GFADRO C[C@](O)(Cn1cc([C@H]([NH3+])c2ccc(Cl)cc2)nn1)C(F)(F)C(F)(F)F ZINC000900622355 663718308 /nfs/dbraw/zinc/71/83/08/663718308.db2.gz QBPXANMAXHDOIC-NEPJUHHUSA-N 1 0 384.736 2.928 20 0 GFADRO O=C([C@@H]1CC[C@H]2CCCC[N@@H+]21)N1CCC(n2cc(Br)cn2)CC1 ZINC000900645548 663718732 /nfs/dbraw/zinc/71/87/32/663718732.db2.gz SFRYAAPXBBMWEB-ZBFHGGJFSA-N 1 0 381.318 2.826 20 0 GFADRO C[C@@H](NC(=O)C(C)(C)Cc1ccc(Br)cc1)[C@@H]1C[N@H+](C)CCN1C ZINC000900806209 663721871 /nfs/dbraw/zinc/72/18/71/663721871.db2.gz SLKARGXVMVRXAK-PBHICJAKSA-N 1 0 396.373 2.768 20 0 GFADRO C[C@@H](NC(=O)COc1c(Cl)cc(Cl)cc1Cl)[C@H]1C[N@H+](C)CCN1C ZINC000900812136 663722059 /nfs/dbraw/zinc/72/20/59/663722059.db2.gz RYMWJDBFUHZBEC-QMTHXVAHSA-N 1 0 394.730 2.776 20 0 GFADRO C[N@@H+]1CCC[C@H](CNC(=O)CN2CSCCSC2)[C@H]1c1cccs1 ZINC000900826769 663722362 /nfs/dbraw/zinc/72/23/62/663722362.db2.gz NVOMYTQXXIGVII-PBHICJAKSA-N 1 0 385.624 2.944 20 0 GFADRO CC[C@H](NC(=O)c1ccnn1CC[NH+](C)C)c1nc(C(F)(F)F)cs1 ZINC000900909598 663723710 /nfs/dbraw/zinc/72/37/10/663723710.db2.gz JZMKMIJROVUNKW-JTQLQIEISA-N 1 0 375.420 2.801 20 0 GFADRO C[N@@H+]1CCC[C@@](O)(CC(=O)N(CCCO)Cc2ccc(Cl)c(Cl)c2)C1 ZINC000901127256 663730747 /nfs/dbraw/zinc/73/07/47/663730747.db2.gz LVYVGHWCISRENC-GOSISDBHSA-N 1 0 389.323 2.551 20 0 GFADRO NC(=O)[C@H]([NH2+]C[C@@H]1CCCN1CC(F)(F)F)c1ccc(Br)cc1 ZINC000901573872 663737982 /nfs/dbraw/zinc/73/79/82/663737982.db2.gz UKDSGJSKGGKSHM-QWHCGFSZSA-N 1 0 394.235 2.592 20 0 GFADRO CN(C)C(=O)[C@H]([NH2+]CC1(n2cc(Br)cn2)CC1)c1ccccc1 ZINC000901606155 663739131 /nfs/dbraw/zinc/73/91/31/663739131.db2.gz BOPMSRRWJYXZCG-OAHLLOKOSA-N 1 0 377.286 2.554 20 0 GFADRO COC(=O)[C@H](NC[C@H]1CC[N@@H+]1C1CCOCC1)c1cccc(Br)c1 ZINC000901622763 663739812 /nfs/dbraw/zinc/73/98/12/663739812.db2.gz FXTOUXCIOSLVSF-IAGOWNOFSA-N 1 0 397.313 2.506 20 0 GFADRO C[C@@H](Sc1nc(CO)cs1)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000901689035 663742153 /nfs/dbraw/zinc/74/21/53/663742153.db2.gz YNBYSXVGAAEZBM-HIFRSBDPSA-N 1 0 377.535 2.507 20 0 GFADRO C[C@@H]([NH2+][C@@H]1CCc2ncc(Br)n2C1)C(=O)Nc1cccc(F)c1 ZINC000901728084 663743754 /nfs/dbraw/zinc/74/37/54/663743754.db2.gz JXBFYQIJRJNDPT-ZWNOBZJWSA-N 1 0 381.249 2.716 20 0 GFADRO CCN(C(=O)[C@H](C)[NH2+][C@@H]1CCc2ncc(Br)n2C1)c1ccccc1 ZINC000901731263 663744133 /nfs/dbraw/zinc/74/41/33/663744133.db2.gz ZQEHOFDYYIBOIW-UONOGXRCSA-N 1 0 391.313 2.992 20 0 GFADRO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)c1nnc(-c2cscn2)o1 ZINC000902611496 663764373 /nfs/dbraw/zinc/76/43/73/663764373.db2.gz BYFQFIPSRDVGKV-GFCCVEGCSA-N 1 0 375.479 2.822 20 0 GFADRO CC[NH+]1CCC(NC(=O)Cn2nc(-c3ccc(Cl)cc3)nc2Cl)CC1 ZINC000902616827 663764508 /nfs/dbraw/zinc/76/45/08/663764508.db2.gz HHAHHQJATOQKNP-UHFFFAOYSA-N 1 0 382.295 2.852 20 0 GFADRO OCC[N@@H+]1CCC[C@@H]2[C@@H]1CCN2Cn1c(=S)snc1-c1ccccc1 ZINC000902645772 663765044 /nfs/dbraw/zinc/76/50/44/663765044.db2.gz YJMUBDHVJIWCNU-CVEARBPZSA-N 1 0 376.551 2.830 20 0 GFADRO C[N@@H+]1C[C@@]2(C)CN(C(=O)c3nc(C4CC4)ncc3Br)C[C@@]2(C)C1 ZINC000902806715 663767744 /nfs/dbraw/zinc/76/77/44/663767744.db2.gz NCIXIPKGYVCCEM-CALCHBBNSA-N 1 0 379.302 2.530 20 0 GFADRO C[C@@H]([NH2+][C@@H](C)CN1CCCC1=O)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000903075611 663772512 /nfs/dbraw/zinc/77/25/12/663772512.db2.gz ALJGEOXLVNPODH-NWDGAFQWSA-N 1 0 378.416 2.642 20 0 GFADRO C[C@@H]([NH2+]CCOC[C@@H]1CCCO1)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000903098606 663773503 /nfs/dbraw/zinc/77/35/03/663773503.db2.gz RLPYMZBXKSYKJQ-OCCSQVGLSA-N 1 0 381.416 2.826 20 0 GFADRO C[C@@H]([NH2+][C@@H](C)Cc1cnn(C)c1)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000903186486 663777379 /nfs/dbraw/zinc/77/73/79/663777379.db2.gz LKJLNFKSCRLOON-NWDGAFQWSA-N 1 0 375.416 2.995 20 0 GFADRO COc1ccccc1NC(=O)C[C@H](C)[NH2+]Cc1cn(C)nc1Br ZINC000903188544 663777435 /nfs/dbraw/zinc/77/74/35/663777435.db2.gz FNJIJWDQOKMCIV-NSHDSACASA-N 1 0 381.274 2.698 20 0 GFADRO C[C@@H]([NH2+]CC[C@H]1CC(=O)N(C)C1)c1ccc(F)c(I)c1 ZINC000903211921 663778639 /nfs/dbraw/zinc/77/86/39/663778639.db2.gz UWGFFBXGEGQZIR-MNOVXSKESA-N 1 0 390.240 2.949 20 0 GFADRO C[C@@H]([NH2+]CCC[C@H]1CCOC1=O)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000903216602 663778838 /nfs/dbraw/zinc/77/88/38/663778838.db2.gz FBCCPAHKKLDWJK-NEPJUHHUSA-N 1 0 379.400 2.974 20 0 GFADRO CS(C)(=O)=NS(=O)(=O)CC[NH2+][C@H]1CCC[C@@H]1c1ccccc1Cl ZINC000903227939 663779383 /nfs/dbraw/zinc/77/93/83/663779383.db2.gz WLDQKEOTQSGJTE-HIFRSBDPSA-N 1 0 378.947 2.623 20 0 GFADRO CS(C)(=O)=NS(=O)(=O)CC[NH2+][C@@H]1CCCc2c3ccccc3sc21 ZINC000903229907 663779609 /nfs/dbraw/zinc/77/96/09/663779609.db2.gz RMHKOTGHGYSMDQ-CQSZACIVSA-N 1 0 386.564 2.926 20 0 GFADRO Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+]CCS(=O)(=O)N1CCCC1 ZINC000903290661 663780911 /nfs/dbraw/zinc/78/09/11/663780911.db2.gz BNCRFVPCZCRJTB-ZDUSSCGKSA-N 1 0 380.539 2.590 20 0 GFADRO Cc1cc(Br)ccc1C(=O)N1CCC([NH2+]C[C@H]2CCN2C)CC1 ZINC000903319360 663781486 /nfs/dbraw/zinc/78/14/86/663781486.db2.gz YTQJTICMUJKJGM-MRXNPFEDSA-N 1 0 380.330 2.656 20 0 GFADRO CC(C)O[C@@]1(C[NH2+][C@H](C)c2ccc(S(=O)(=O)C(F)F)cc2)CCOC1 ZINC000903361093 663782367 /nfs/dbraw/zinc/78/23/67/663782367.db2.gz PJFLOGSWAWDDKV-CXAGYDPISA-N 1 0 377.453 2.918 20 0 GFADRO CO[C@@]1(C[NH2+][C@@H](C)c2ccc(OC(C)C)c(Cl)c2)CCS(=O)(=O)C1 ZINC000903364090 663782861 /nfs/dbraw/zinc/78/28/61/663782861.db2.gz UCTPZEASFVIGTG-SUMWQHHRSA-N 1 0 375.918 2.982 20 0 GFADRO CO[C@]1(C[NH2+][C@@H]2CCCc3c(Br)cccc32)CCS(=O)(=O)C1 ZINC000903365319 663782983 /nfs/dbraw/zinc/78/29/83/663782983.db2.gz LXHGNWZHZFLMEX-CVEARBPZSA-N 1 0 388.327 2.620 20 0 GFADRO O=c1cc(N2CC[C@@H]([NH2+][C@@H]3CCCc4ncc(Br)cc43)C2)nc[nH]1 ZINC000903400669 663783926 /nfs/dbraw/zinc/78/39/26/663783926.db2.gz WUMDNEHTVHRWJW-IUODEOHRSA-N 1 0 390.285 2.586 20 0 GFADRO O=c1ccn(CCC[NH2+][C@H]2CCSc3ccc(Br)cc32)c(=O)[nH]1 ZINC000903432989 663784552 /nfs/dbraw/zinc/78/45/52/663784552.db2.gz TXHRMEZTMPGUPO-ZDUSSCGKSA-N 1 0 396.310 2.928 20 0 GFADRO COc1cc([C@H](C)[NH2+][C@@H]2COC[C@H]2C2CC2)ccc1S(=O)(=O)C(F)F ZINC000903438908 663784808 /nfs/dbraw/zinc/78/48/08/663784808.db2.gz YTFHFKHDGNFNPX-LEWSCRJBSA-N 1 0 375.437 2.767 20 0 GFADRO C[C@H](N[C@@H]1CC[NH2+]C12CCC2)C(=O)N(C)Cc1ccc(Br)cc1 ZINC000903468839 663785127 /nfs/dbraw/zinc/78/51/27/663785127.db2.gz OPJJAVYAVBNATI-XJKSGUPXSA-N 1 0 380.330 2.670 20 0 GFADRO Cc1cc2ncc([C@@H](C)[NH2+][C@@H]3CCc4ncc(Br)n4C3)c(C)n2n1 ZINC000903478802 663785389 /nfs/dbraw/zinc/78/53/89/663785389.db2.gz NGBGDKTVADNIKN-DGCLKSJQSA-N 1 0 389.301 2.971 20 0 GFADRO CC[C@H]1CN(S(=O)(=O)c2c[nH]c3cc(Br)ccc32)CC[C@@H]1[NH3+] ZINC000903495072 663785790 /nfs/dbraw/zinc/78/57/90/663785790.db2.gz RETFBMWUOWPRTI-GWCFXTLKSA-N 1 0 386.315 2.678 20 0 GFADRO [NH3+]CC1CCN(S(=O)(=O)Cc2cccc(Cl)c2Br)CC1 ZINC000903510326 663786124 /nfs/dbraw/zinc/78/61/24/663786124.db2.gz HFPZFOIFYHMDOD-UHFFFAOYSA-N 1 0 381.723 2.603 20 0 GFADRO O=S(=O)(Cc1cccc(Cl)c1Br)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000903514446 663786395 /nfs/dbraw/zinc/78/63/95/663786395.db2.gz QFVKHGGMUCWGEF-AWEZNQCLSA-N 1 0 393.734 2.618 20 0 GFADRO O=S(=O)(Cc1cccc(Cl)c1Br)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000903517866 663786739 /nfs/dbraw/zinc/78/67/39/663786739.db2.gz GUGJTXMWFAKILL-GWCFXTLKSA-N 1 0 393.734 2.616 20 0 GFADRO COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)N1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903518436 663786845 /nfs/dbraw/zinc/78/68/45/663786845.db2.gz NQZZBPVRKQXTBZ-CKYFFXLPSA-N 1 0 379.810 2.805 20 0 GFADRO Cc1cc(Br)c(S(=O)(=O)N2CCC[C@H]3CC[C@]32C[NH3+])s1 ZINC000903536342 663787734 /nfs/dbraw/zinc/78/77/34/663787734.db2.gz BIKONFIGILJLPN-GWCFXTLKSA-N 1 0 379.345 2.711 20 0 GFADRO Cc1csc(-c2ccc(S(=O)(=O)NC3(C4CC[NH2+]CC4)CC3)cc2)n1 ZINC000903558321 663788758 /nfs/dbraw/zinc/78/87/58/663788758.db2.gz QXQOFYSHCITLGU-UHFFFAOYSA-N 1 0 377.535 2.929 20 0 GFADRO Cc1cc(S(=O)(=O)N[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)sc1C ZINC000903573427 663789436 /nfs/dbraw/zinc/78/94/36/663789436.db2.gz IJHHWABPJKXPLD-YJBOKZPZSA-N 1 0 378.519 2.899 20 0 GFADRO CCC(=O)c1ccc(Cl)c(S(=O)(=O)N2CC[C@@H](C(F)(F)F)[C@H]([NH3+])C2)c1 ZINC000903580638 663790195 /nfs/dbraw/zinc/79/01/95/663790195.db2.gz WIQKNJYGTZWSHJ-ZYHUDNBSSA-N 1 0 398.834 2.833 20 0 GFADRO [NH3+][C@H]1CN(S(=O)(=O)Cc2cccc(C(F)(F)F)c2)CC[C@@H]1C(F)(F)F ZINC000903580873 663790467 /nfs/dbraw/zinc/79/04/67/663790467.db2.gz YULXLWUAEYDTNE-RYUDHWBXSA-N 1 0 390.349 2.747 20 0 GFADRO [NH3+]C[C@]12CC[C@H]1CCN2S(=O)(=O)c1ccc(Cl)cc1Br ZINC000903590585 663790777 /nfs/dbraw/zinc/79/07/77/663790777.db2.gz WZRIWDQQVCNCQU-TVQRCGJNSA-N 1 0 379.707 2.604 20 0 GFADRO Brc1cc(CN2CC[NH2+]CCC23CCOCC3)cc2c1OCO2 ZINC000903817757 663807550 /nfs/dbraw/zinc/80/75/50/663807550.db2.gz HNMWGEWZAGMQLK-UHFFFAOYSA-N 1 0 383.286 2.522 20 0 GFADRO Cc1cc(Br)cc2c1CN(Cc1cnnn1[C@H]1CCC[NH2+]C1)CC2 ZINC000903915097 663811478 /nfs/dbraw/zinc/81/14/78/663811478.db2.gz MPGVFFCGCWJADD-INIZCTEOSA-N 1 0 390.329 2.832 20 0 GFADRO COc1cc(Br)c(CNC[C@@H]2C[NH2+]CCC2(F)F)c(OC)c1 ZINC000903954247 663813613 /nfs/dbraw/zinc/81/36/13/663813613.db2.gz BJWVUGIBNAQMNL-JTQLQIEISA-N 1 0 379.245 2.801 20 0 GFADRO O=C1O[C@H](c2nc(C3CC[NH2+]CC3)no2)Cc2ccc(Br)cc21 ZINC000904073384 663822520 /nfs/dbraw/zinc/82/25/20/663822520.db2.gz MZJLAJSOMUARFV-ZDUSSCGKSA-N 1 0 378.226 2.753 20 0 GFADRO CSCC[C@@H](N)c1nc(CNC(=O)c2ccc(Br)cc2)no1 ZINC000904119322 663825305 /nfs/dbraw/zinc/82/53/05/663825305.db2.gz RISVDJDVQTUHSK-LLVKDONJSA-N 1 0 385.287 2.515 20 0 GFADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)N(O)Cc1cc(Cl)cc(Cl)c1 ZINC000904168352 663826928 /nfs/dbraw/zinc/82/69/28/663826928.db2.gz BMTXYYBIJCOTDZ-GFCCVEGCSA-N 1 0 375.300 2.530 20 0 GFADRO [NH3+]C[C@]12CC[C@@H]1CCN2C(=O)Nc1cc(Br)ccc1-n1cccn1 ZINC000904337060 663830745 /nfs/dbraw/zinc/83/07/45/663830745.db2.gz ZMWVNFAWNMEHJI-SJKOYZFVSA-N 1 0 390.285 2.980 20 0 GFADRO C[C@@H]1CCCN(C(=O)Nc2cc(Br)c(=O)n(C)c2)[C@@H]1CCC[NH3+] ZINC000904374139 663831767 /nfs/dbraw/zinc/83/17/67/663831767.db2.gz NIPWZHPIKZCXCE-BXUZGUMPSA-N 1 0 385.306 2.519 20 0 GFADRO O=C(Nc1cc(I)ccc1Cl)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000904373411 663831843 /nfs/dbraw/zinc/83/18/43/663831843.db2.gz QCIOBRTUILEPOB-UBHAPETDSA-N 1 0 391.640 2.959 20 0 GFADRO COC(=O)c1cc(Br)ccc1NC(=O)N1CC[C@H]2CC[C@]21C[NH3+] ZINC000904389076 663832069 /nfs/dbraw/zinc/83/20/69/663832069.db2.gz GRJMOYPSBVQLAN-HWPZZCPQSA-N 1 0 382.258 2.581 20 0 GFADRO O=C(Nc1nnc(-c2cccc(Br)c2)s1)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000904424051 663833649 /nfs/dbraw/zinc/83/36/49/663833649.db2.gz BRADNQOMNRPJMS-QJPTWQEYSA-N 1 0 394.298 2.982 20 0 GFADRO O=C(Nc1ccnn1Cc1ccc(Br)cc1)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000904427281 663833690 /nfs/dbraw/zinc/83/36/90/663833690.db2.gz VGEQVYHHKAAHBX-QLFBSQMISA-N 1 0 390.285 2.708 20 0 GFADRO COc1cc(OC)c(NC(=O)N2CC[C@H]3CC[C@@]32C[NH3+])cc1Br ZINC000904428998 663833808 /nfs/dbraw/zinc/83/38/08/663833808.db2.gz UFQMKSKBOXAISG-QLJPJBMISA-N 1 0 384.274 2.811 20 0 GFADRO Cc1nn(C)c(CN[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1Br ZINC000904473422 663835371 /nfs/dbraw/zinc/83/53/71/663835371.db2.gz QVVHDWZBXFERHT-KBXCAEBGSA-N 1 0 391.313 2.837 20 0 GFADRO Cc1cc(I)cc(NC(=O)N2CCC[C@@]23CC[NH2+]C3)c1 ZINC000904473245 663835472 /nfs/dbraw/zinc/83/54/72/663835472.db2.gz QJJNTPYJIVSHEV-HNNXBMFYSA-N 1 0 385.249 2.959 20 0 GFADRO O=C1Nc2ccc(Br)cc2[C@H]1Cc1nc(C2CC[NH2+]CC2)no1 ZINC000904493573 663836378 /nfs/dbraw/zinc/83/63/78/663836378.db2.gz KBYRUVHUDZJSDI-GFCCVEGCSA-N 1 0 377.242 2.578 20 0 GFADRO COCCOc1ccc(NC(=O)N2CC[C@H]([C@@H](C)[NH3+])C2)cc1Br ZINC000904550953 663837895 /nfs/dbraw/zinc/83/78/95/663837895.db2.gz IGGWWBBXSKFCAP-NEPJUHHUSA-N 1 0 386.290 2.675 20 0 GFADRO COCCOc1ccc(NC(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)cc1Br ZINC000904550968 663837922 /nfs/dbraw/zinc/83/79/22/663837922.db2.gz INMSVNKXBUSPIB-VXGBXAGGSA-N 1 0 386.290 2.723 20 0 GFADRO COCCOc1ccc(NC(=O)N2CC[C@@]3(CC[NH2+]C3)C2)cc1Br ZINC000904551464 663837948 /nfs/dbraw/zinc/83/79/48/663837948.db2.gz LUKUDVPLVVKIJO-QGZVFWFLSA-N 1 0 398.301 2.692 20 0 GFADRO COCCOc1ccc(NC(=O)N2C[C@H](C)[NH2+]C[C@@H]2C)cc1Br ZINC000904552004 663838181 /nfs/dbraw/zinc/83/81/81/663838181.db2.gz ROMWDGVKQSHQAF-RYUDHWBXSA-N 1 0 386.290 2.688 20 0 GFADRO CCN(CC)S(=O)(=O)c1ccc(C[NH2+]C[C@@H](O)c2cccc(C)c2)s1 ZINC000905031555 663850253 /nfs/dbraw/zinc/85/02/53/663850253.db2.gz RGOFJAYJYQASIZ-QGZVFWFLSA-N 1 0 382.551 2.910 20 0 GFADRO O[C@@H](C[NH2+][C@H]1CCN(c2ccccc2Br)C1)CC1(O)CCCC1 ZINC000905102457 663853340 /nfs/dbraw/zinc/85/33/40/663853340.db2.gz DFIVMFJKCMHSPM-LSDHHAIUSA-N 1 0 383.330 2.674 20 0 GFADRO CC(C)(C)NS(=O)(=O)C1([C@H](O)C[NH2+][C@H]2CCCc3sccc32)CCC1 ZINC000905216695 663859733 /nfs/dbraw/zinc/85/97/33/663859733.db2.gz TYCOROAHROFLSN-GOEBONIOSA-N 1 0 386.583 2.717 20 0 GFADRO Cc1c(-c2nc(C3([NH3+])CCC3)no2)nnn1-c1ccccc1Br ZINC000905303511 663865107 /nfs/dbraw/zinc/86/51/07/663865107.db2.gz BXFRTZYDJRHMDQ-UHFFFAOYSA-N 1 0 375.230 2.726 20 0 GFADRO CCN(Cc1cc(Br)ccc1F)S(=O)(=O)CC1CC[NH2+]CC1 ZINC000905335708 663866180 /nfs/dbraw/zinc/86/61/80/663866180.db2.gz PMCVIMIFMHRQGZ-UHFFFAOYSA-N 1 0 393.322 2.740 20 0 GFADRO O=S(=O)(CC1CC[NH2+]CC1)NCC/C=C\c1ccc(Br)cc1 ZINC000905362871 663867550 /nfs/dbraw/zinc/86/75/50/663867550.db2.gz XGJYFTPNXZIIOG-IWQZZHSRSA-N 1 0 387.343 2.771 20 0 GFADRO O[C@H](C[NH2+][C@H]1CCCCc2cc(Br)ccc21)C1(O)CCOCC1 ZINC000905382847 663868510 /nfs/dbraw/zinc/86/85/10/663868510.db2.gz RUECJXOUDWMGJJ-DLBZAZTESA-N 1 0 384.314 2.709 20 0 GFADRO CC(C)(C)OC(=O)N1CCC(F)(F)[C@H](C[NH2+]C[C@H](O)CC(F)(F)F)C1 ZINC000905489618 663873911 /nfs/dbraw/zinc/87/39/11/663873911.db2.gz CGEGBKXQGAOGOP-GHMZBOCLSA-N 1 0 376.366 2.782 20 0 GFADRO CN1C[C@H](CC[NH2+]C[C@@](C)(O)c2ccc(Br)cc2Cl)CC1=O ZINC000905525830 663876351 /nfs/dbraw/zinc/87/63/51/663876351.db2.gz RMVFNQUTBPZWDN-BDJLRTHQSA-N 1 0 389.721 2.768 20 0 GFADRO CN(C)Cc1csc(C[NH2+]C[C@H](O)c2ccc(F)c(Br)c2)n1 ZINC000905534012 663877173 /nfs/dbraw/zinc/87/71/73/663877173.db2.gz USVFNXBXNCHTPT-AWEZNQCLSA-N 1 0 388.306 2.930 20 0 GFADRO C[C@](O)(C[NH2+]CCOC1CCOCC1)c1ccc(Br)cc1F ZINC000905609126 663881021 /nfs/dbraw/zinc/88/10/21/663881021.db2.gz MZYLJYJKPXLXMT-INIZCTEOSA-N 1 0 376.266 2.581 20 0 GFADRO O[C@@H](C[NH2+][C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)COc1ccc(Cl)cc1Br ZINC000905659328 663884235 /nfs/dbraw/zinc/88/42/35/663884235.db2.gz PUPMWIATHQXHQT-AMMNCDSISA-N 1 0 388.689 2.608 20 0 GFADRO Cc1ncccc1CC[NH2+]CCS(=O)(=O)c1cccc(Br)c1 ZINC000905699287 663887594 /nfs/dbraw/zinc/88/75/94/663887594.db2.gz APQCDTDDWLNIIZ-UHFFFAOYSA-N 1 0 383.311 2.759 20 0 GFADRO NC(=O)[C@H]([NH2+]C[C@H]1CC[C@@H](C(F)(F)F)O1)c1ccc(Br)cc1 ZINC000905850506 663896639 /nfs/dbraw/zinc/89/66/39/663896639.db2.gz IRNMGLZNGYIVCA-GRYCIOLGSA-N 1 0 381.192 2.675 20 0 GFADRO Cc1cc(NS(=O)(=O)N=[S@](C)(=O)c2ccccc2)ccc1C[NH+](C)C ZINC000906068599 663920509 /nfs/dbraw/zinc/92/05/09/663920509.db2.gz VZMXKBYPHMHNSX-XMMPIXPASA-N 1 0 381.523 2.870 20 0 GFADRO C[NH+]1CCC(OCC(=O)OCc2cc(F)c(Br)cc2F)CC1 ZINC000906073890 663921892 /nfs/dbraw/zinc/92/18/92/663921892.db2.gz KGXHOHJKQGICRX-UHFFFAOYSA-N 1 0 378.213 2.881 20 0 GFADRO O=C(C[C@H](O)C(Cl)(Cl)Cl)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000906107245 663925653 /nfs/dbraw/zinc/92/56/53/663925653.db2.gz UZRSHWIVBYGXFF-HNNXBMFYSA-N 1 0 393.742 2.931 20 0 GFADRO C[C@H](CNC(=O)c1cc(Br)cn(C2CC2)c1=O)[N@@H+]1CCCC[C@H]1C ZINC000906150602 663929374 /nfs/dbraw/zinc/92/93/74/663929374.db2.gz OAAHPHQGKHQNFE-CHWSQXEVSA-N 1 0 396.329 2.938 20 0 GFADRO CC(C)C[NH+]1CCC(NC(=O)c2cc(Br)cn(C3CC3)c2=O)CC1 ZINC000906429897 663947301 /nfs/dbraw/zinc/94/73/01/663947301.db2.gz NLTITWMTBDAHJE-UHFFFAOYSA-N 1 0 396.329 2.796 20 0 GFADRO CC(C)(C)[N@@H+]1CCCN(C(=O)c2nscc2I)CC1 ZINC000906450800 663949138 /nfs/dbraw/zinc/94/91/38/663949138.db2.gz PORANMYVEOYBAF-UHFFFAOYSA-N 1 0 393.294 2.694 20 0 GFADRO O=C(Nc1cc(Cl)cc(C(F)(F)F)c1)C(=O)N1CCC[C@@]12CC[NH2+]C2 ZINC000906765512 663969528 /nfs/dbraw/zinc/96/95/28/663969528.db2.gz OBGPIPNXYFHELA-HNNXBMFYSA-N 1 0 375.778 2.652 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)c2ccc(Cn3cc(Br)cn3)s2)CC[N@@H+]1C ZINC000906796545 663971800 /nfs/dbraw/zinc/97/18/00/663971800.db2.gz AAEXNJOSPIXXFJ-YPMHNXCESA-N 1 0 397.342 2.968 20 0 GFADRO Cc1c(C(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)nnn1-c1ccccc1Br ZINC000906797940 663971839 /nfs/dbraw/zinc/97/18/39/663971839.db2.gz MOVXDFBANOQIMN-AAEUAGOBSA-N 1 0 392.301 2.551 20 0 GFADRO Cc1ccc(C[N@H+]2CC[C@H](CN(C)S(=O)(=O)N3CCC[C@H](C)C3)C2)s1 ZINC000907345896 664025978 /nfs/dbraw/zinc/02/59/78/664025978.db2.gz LNYUQZQUCIPUDZ-DOTOQJQBSA-N 1 0 385.599 2.787 20 0 GFADRO CCc1cc(C(=O)N[C@H](C)CC[NH+]2CCN(C)CC2)ccc1Br ZINC000907452762 664035958 /nfs/dbraw/zinc/03/59/58/664035958.db2.gz QNBFNYVMUYPTPJ-CQSZACIVSA-N 1 0 382.346 2.767 20 0 GFADRO CCCN(CCC[NH+](C)C)C(=O)c1cc(Br)cn(C2CC2)c1=O ZINC000907656964 664050998 /nfs/dbraw/zinc/05/09/98/664050998.db2.gz ANGJVKXUXFZPDD-UHFFFAOYSA-N 1 0 384.318 2.750 20 0 GFADRO CN(Cc1cc(Br)ccc1Cl)C(=O)[C@@]1(C)C[C@H](O)C[N@@H+]1C ZINC000907726612 664055993 /nfs/dbraw/zinc/05/59/93/664055993.db2.gz RSIFGWVYOHXAQN-SWLSCSKDSA-N 1 0 375.694 2.516 20 0 GFADRO O=C(C[C@@H](O)C(Cl)(Cl)Cl)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000907862306 664067178 /nfs/dbraw/zinc/06/71/78/664067178.db2.gz PUYNGGBAOZMPHV-UONOGXRCSA-N 1 0 379.715 2.746 20 0 GFADRO CC[NH+](CC)CC[C@H](CO)NC(=O)Cc1c[nH]c2ccc(Br)cc12 ZINC000907933716 664072463 /nfs/dbraw/zinc/07/24/63/664072463.db2.gz CIPWLRPLWULYKB-OAHLLOKOSA-N 1 0 396.329 2.682 20 0 GFADRO CC(C)n1cc(Br)c(C(=O)N2CCC[C@@H]([NH+]3CCOCC3)CC2)n1 ZINC000907992937 664075813 /nfs/dbraw/zinc/07/58/13/664075813.db2.gz XWBUIGKHEAUVJV-CQSZACIVSA-N 1 0 399.333 2.553 20 0 GFADRO CN(C)C(=O)Sc1cc(NC(=O)C2C[NH+]([C@@H]3CCOC3)C2)ccc1Cl ZINC000908196396 664091104 /nfs/dbraw/zinc/09/11/04/664091104.db2.gz WWYJRUUDRVAYHB-CYBMUJFWSA-N 1 0 383.901 2.773 20 0 GFADRO CCCC[N@H+](C)C[C@H](C)NC(=O)c1nscc1I ZINC000908249277 664094181 /nfs/dbraw/zinc/09/41/81/664094181.db2.gz FMUVWKCEKGRTHC-VIFPVBQESA-N 1 0 381.283 2.598 20 0 GFADRO C[C@H]1CN(C(=O)C(F)(F)c2ncccc2Br)CC[N@@H+](C2CC2)C1 ZINC000908504462 664111061 /nfs/dbraw/zinc/11/10/61/664111061.db2.gz YHHPTKQWPJLGLP-LLVKDONJSA-N 1 0 388.256 2.879 20 0 GFADRO CC(C)[NH2+]C1(CO)CCN(C(=O)c2cc(Cl)ccc2OC(F)F)CC1 ZINC000908597221 664116370 /nfs/dbraw/zinc/11/63/70/664116370.db2.gz HBCGKORDTNZLCL-UHFFFAOYSA-N 1 0 376.831 2.907 20 0 GFADRO Cc1c(Br)csc1C(=O)N1CCC(CO)([NH2+]C(C)C)CC1 ZINC000908613055 664117742 /nfs/dbraw/zinc/11/77/42/664117742.db2.gz RYFHQRIXVVSBCD-UHFFFAOYSA-N 1 0 375.332 2.784 20 0 GFADRO C[N@@H+]1CCC[C@](O)(CC(=O)N2CC[C@@H](c3cccc(Br)c3)C2)C1 ZINC000908976390 664139409 /nfs/dbraw/zinc/13/94/09/664139409.db2.gz XQCRQWQKLXQTML-QAPCUYQASA-N 1 0 381.314 2.612 20 0 GFADRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(Br)cn(C3CC3)c2=O)C1 ZINC000909437536 664158596 /nfs/dbraw/zinc/15/85/96/664158596.db2.gz AJUBSYOTTFSTSK-CQSZACIVSA-N 1 0 382.302 2.500 20 0 GFADRO Cc1cc(C[NH+](C)C)ccc1NC(=O)c1cc(Cl)sc1S(N)(=O)=O ZINC000909604101 664164756 /nfs/dbraw/zinc/16/47/56/664164756.db2.gz IXOGOJQRPYZIRB-UHFFFAOYSA-N 1 0 387.914 2.671 20 0 GFADRO CC[N@@H+]1CCCN(C(=O)C[C@](O)(c2nc(C)cs2)C(F)(F)F)[C@H](C)C1 ZINC000910290526 664204773 /nfs/dbraw/zinc/20/47/73/664204773.db2.gz YIIWYNPYXUAGEN-DOMZBBRYSA-N 1 0 379.448 2.534 20 0 GFADRO C[C@H](CNC(=O)C(=O)N1CC[C@H](C[NH3+])[C@@H](C)C1)c1c(Cl)cccc1Cl ZINC000911187180 664238019 /nfs/dbraw/zinc/23/80/19/664238019.db2.gz NEZGULTZEBNWSI-FRRDWIJNSA-N 1 0 386.323 2.656 20 0 GFADRO CCC[N@H+](C)CC(=O)N1CCc2[nH]cnc2[C@@H]1c1ccc(Br)cc1 ZINC000911253332 664240470 /nfs/dbraw/zinc/24/04/70/664240470.db2.gz TZBCVMPUWKCFFA-SFHVURJKSA-N 1 0 391.313 2.988 20 0 GFADRO O=C(COCCc1ccc(Br)cc1)N[C@H]1C[C@@H]([NH+]2CCCC2)C1 ZINC000911582667 664249447 /nfs/dbraw/zinc/24/94/47/664249447.db2.gz VVDNVYJMPHIYLJ-CALCHBBNSA-N 1 0 381.314 2.751 20 0 GFADRO C[C@H](NC(=O)c1ccc(Cn2cc(Br)cn2)s1)[C@@H]1CCC[NH2+]C1 ZINC000911719727 664253947 /nfs/dbraw/zinc/25/39/47/664253947.db2.gz OPWWXYNVWIRRFG-NWDGAFQWSA-N 1 0 397.342 2.873 20 0 GFADRO C[C@H]1CCCN(C(=O)c2cc(Br)c(Br)[nH]2)[C@H]1C[NH3+] ZINC000911827983 664257742 /nfs/dbraw/zinc/25/77/42/664257742.db2.gz YNRVNQOYYMSJBD-XVKPBYJWSA-N 1 0 379.096 2.739 20 0 GFADRO CC[NH2+]CC1CCN(C(=O)C[C@@H]2C(=O)Nc3ccc(Br)cc32)CC1 ZINC000911863931 664259531 /nfs/dbraw/zinc/25/95/31/664259531.db2.gz LBMGKJMGTSFGGB-HNNXBMFYSA-N 1 0 394.313 2.723 20 0 GFADRO CN(C(=O)c1cc(Br)c(Br)[nH]1)C1CCC([NH3+])CC1 ZINC000911869343 664259883 /nfs/dbraw/zinc/25/98/83/664259883.db2.gz VFSLSAIIFIBYOB-UHFFFAOYSA-N 1 0 379.096 2.882 20 0 GFADRO CCCC[C@@H](C[NH3+])NC(=O)c1cnn(Cc2ccccc2)c1Br ZINC000911882309 664260485 /nfs/dbraw/zinc/26/04/85/664260485.db2.gz VKWFIBKNFQWJNN-AWEZNQCLSA-N 1 0 379.302 2.941 20 0 GFADRO Cc1sc(Br)c(C(=O)N(CCO)C2CC[NH+](C)CC2)c1C ZINC000911943727 664263298 /nfs/dbraw/zinc/26/32/98/664263298.db2.gz QGLZYRXQSLQBAW-UHFFFAOYSA-N 1 0 375.332 2.656 20 0 GFADRO C[C@@H]([NH3+])C1(C(=O)N(C)CC(=O)Nc2ccc(Cl)c(Cl)c2)CCOCC1 ZINC000912015981 664266517 /nfs/dbraw/zinc/26/65/17/664266517.db2.gz DQOBONUCFCYXRC-LLVKDONJSA-N 1 0 388.295 2.534 20 0 GFADRO CCC[C@H](NC(=O)c1cc(Br)cn(CC[NH3+])c1=O)c1ccccc1 ZINC000912076837 664269509 /nfs/dbraw/zinc/26/95/09/664269509.db2.gz YJVXZKJLKWEASG-INIZCTEOSA-N 1 0 392.297 2.841 20 0 GFADRO O=C(Nc1ccnn1Cc1ccc(Br)cc1)[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000912113026 664270745 /nfs/dbraw/zinc/27/07/45/664270745.db2.gz LLMYSKGTFLKCKP-RRFJBIMHSA-N 1 0 375.270 2.773 20 0 GFADRO C[C@@H](c1ccc(F)cc1)N(C)C(=O)c1cc(Br)cn(CC[NH3+])c1=O ZINC000912159689 664272318 /nfs/dbraw/zinc/27/23/18/664272318.db2.gz NMTLFZZLVCQCBN-NSHDSACASA-N 1 0 396.260 2.542 20 0 GFADRO O=C(C[C@]1(O)CCC[NH2+]C1)N(Cc1cc(Br)ccc1F)C1CC1 ZINC000912331396 664282081 /nfs/dbraw/zinc/28/20/81/664282081.db2.gz TVHROOWLCCWJLR-QGZVFWFLSA-N 1 0 385.277 2.584 20 0 GFADRO CN1CC[N@H+](C)CC(C(=O)NC(CCC(F)(F)F)CCC(F)(F)F)C1 ZINC000912521115 664291845 /nfs/dbraw/zinc/29/18/45/664291845.db2.gz DSVFPUXYSLYPKC-UHFFFAOYSA-N 1 0 377.373 2.650 20 0 GFADRO CC(C)C[NH2+]C1(CO)CCN(C(=O)Cc2ccc(Br)s2)CC1 ZINC000912587886 664293906 /nfs/dbraw/zinc/29/39/06/664293906.db2.gz GSQBEAJJNRBJKG-UHFFFAOYSA-N 1 0 389.359 2.652 20 0 GFADRO CC(C)C[NH2+]C1(CO)CCN(C(=O)c2ccc(Br)cc2F)CC1 ZINC000912595668 664294383 /nfs/dbraw/zinc/29/43/83/664294383.db2.gz ZFOSKKJUCPLWSM-UHFFFAOYSA-N 1 0 387.293 2.801 20 0 GFADRO C[NH+](C)CCCOC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl ZINC000912593976 664294452 /nfs/dbraw/zinc/29/44/52/664294452.db2.gz DUNVZAFISKYSTN-UHFFFAOYSA-N 1 0 388.917 2.623 20 0 GFADRO COc1ccc(Br)cc1C1(C(=O)N2CC[C@@H]([NH+]3CCC3)C2)CC1 ZINC000912904877 664309343 /nfs/dbraw/zinc/30/93/43/664309343.db2.gz VEDNFBZBPIRESH-CQSZACIVSA-N 1 0 379.298 2.796 20 0 GFADRO O=C(c1cc(-c2ccc(Br)cc2)n[nH]1)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000912924573 664310522 /nfs/dbraw/zinc/31/05/22/664310522.db2.gz ZDPCCIZPLCEAOV-CQSZACIVSA-N 1 0 375.270 2.759 20 0 GFADRO C[N@@H+]1C[C@@]2(C)CN(C(=O)c3nc(Br)sc3Cl)C[C@@]2(C)C1 ZINC000913274392 664330669 /nfs/dbraw/zinc/33/06/69/664330669.db2.gz LQJZXBJDCJLVRB-BETUJISGSA-N 1 0 378.723 2.973 20 0 GFADRO C[NH+]1C[C@]2(C)CN(C(=O)c3cc(Br)cn4ccnc34)C[C@@]2(C)C1 ZINC000913274492 664330706 /nfs/dbraw/zinc/33/07/06/664330706.db2.gz MZVWVCIFQWHORA-IAGOWNOFSA-N 1 0 377.286 2.511 20 0 GFADRO C[NH+](C)CCn1nccc1C(=O)N1CC(Cc2ccccc2Br)C1 ZINC000913337377 664332538 /nfs/dbraw/zinc/33/25/38/664332538.db2.gz YOHDYMGBRSTGGI-UHFFFAOYSA-N 1 0 391.313 2.522 20 0 GFADRO C[NH+](C)C1(C)CCN(C(=O)Cc2cc3c(cc2Br)OCCO3)CC1 ZINC000913401674 664334998 /nfs/dbraw/zinc/33/49/98/664334998.db2.gz YQPOAGIEJCKYAX-UHFFFAOYSA-N 1 0 397.313 2.706 20 0 GFADRO C[NH+](C)CC1(O)CCN(C(=O)CCCc2ccccc2Br)CC1 ZINC000913678879 664349304 /nfs/dbraw/zinc/34/93/04/664349304.db2.gz BDQSGCDLMTUCGU-UHFFFAOYSA-N 1 0 383.330 2.687 20 0 GFADRO C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)N1CCC(O)(C[NH+](C)C)CC1 ZINC000913681551 664349588 /nfs/dbraw/zinc/34/95/88/664349588.db2.gz NKXBFDCEFRMDAT-GFCCVEGCSA-N 1 0 375.296 2.676 20 0 GFADRO O=C(OCC[NH+]1CCCCC1)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000914084017 664375632 /nfs/dbraw/zinc/37/56/32/664375632.db2.gz LTWPDMLDLHOZFJ-CQSZACIVSA-N 1 0 395.297 2.831 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2S(=O)(=O)c1cscc1C(F)F ZINC000914275447 664393989 /nfs/dbraw/zinc/39/39/89/664393989.db2.gz QIJXIINUQUDZPE-RAIGVLPGSA-N 1 0 380.482 2.558 20 0 GFADRO Cc1ccc([C@H](CNC(=O)NCc2cnc(Br)cn2)[NH+](C)C)cc1 ZINC000915073373 664420447 /nfs/dbraw/zinc/42/04/47/664420447.db2.gz QOUBYVFVIMYJKS-HNNXBMFYSA-N 1 0 392.301 2.650 20 0 GFADRO CCOC(=O)N[C@@H]1CCC[N@H+](C[C@@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000915681279 664437164 /nfs/dbraw/zinc/43/71/64/664437164.db2.gz WMTJZHGPBWYIHD-ZIAGYGMSSA-N 1 0 391.295 2.944 20 0 GFADRO CC[C@@H](CO)[NH2+][C@H](C)C(=O)Nc1ccc(Br)cc1Br ZINC000915875545 664443492 /nfs/dbraw/zinc/44/34/92/664443492.db2.gz QDCHQYDFPCHBQP-SCZZXKLOSA-N 1 0 394.107 2.899 20 0 GFADRO C[N@H+](CCCCNS(=O)(=O)Cc1ccc(F)cc1Br)C1CC1 ZINC000916199805 664454329 /nfs/dbraw/zinc/45/43/29/664454329.db2.gz NLYJHIHECHERRP-UHFFFAOYSA-N 1 0 393.322 2.882 20 0 GFADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)N1CCC[C@@]1(C)Cc1cc(Cl)cs1 ZINC000917972787 664493681 /nfs/dbraw/zinc/49/36/81/664493681.db2.gz RHTYAKYRVRAPOG-QAPCUYQASA-N 1 0 384.977 2.754 20 0 GFADRO COc1cc(Cl)c(S(=O)(=O)N2CCc3[nH+]ccc(N)c3C2)cc1Cl ZINC000918899989 664506358 /nfs/dbraw/zinc/50/63/58/664506358.db2.gz MEYYYRYSWDPBOU-UHFFFAOYSA-N 1 0 388.276 2.726 20 0 GFADRO Cc1n[nH]c(C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1Br ZINC000919712350 664517000 /nfs/dbraw/zinc/51/70/00/664517000.db2.gz OIYRIYIQODKCOI-CQSZACIVSA-N 1 0 377.286 2.875 20 0 GFADRO CCC[N@H+](CC)CCNC(=O)N1CCC[C@@H]1c1ncc(Br)cn1 ZINC000921181194 664538561 /nfs/dbraw/zinc/53/85/61/664538561.db2.gz FSQXQVOQURZCDE-CQSZACIVSA-N 1 0 384.322 2.818 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)NC2(c3ncc(Br)cn3)CCC2)C[N@@H+]1C1CC1 ZINC000921384753 664545151 /nfs/dbraw/zinc/54/51/51/664545151.db2.gz WTFSGOCVAQKFCC-DGCLKSJQSA-N 1 0 394.317 2.543 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)N2CCC[C@@H]2c2ncc(Br)cn2)C[N@@H+]1C1CC1 ZINC000921384687 664545229 /nfs/dbraw/zinc/54/52/29/664545229.db2.gz VEWBQOVOEYNZJC-OSAQELSMSA-N 1 0 394.317 2.711 20 0 GFADRO C[NH+](C)CC[C@@H](NS(=O)(=O)Cc1cc(F)ccc1Cl)c1cccnc1 ZINC000921479738 664550032 /nfs/dbraw/zinc/55/00/32/664550032.db2.gz QOMONIAMGXUPFF-QGZVFWFLSA-N 1 0 385.892 2.987 20 0 GFADRO C[NH+](C)Cc1ccc(S(=O)(=O)NC[C@H]2CCC[C@@H](C(F)(F)F)O2)cc1 ZINC000921586444 664555878 /nfs/dbraw/zinc/55/58/78/664555878.db2.gz LVJQPJOETBKTAP-HIFRSBDPSA-N 1 0 380.432 2.527 20 0 GFADRO Brc1cccc(N2CC[C@H](C[NH2+]Cc3cnc4n3CCOC4)C2)c1 ZINC000921591735 664556535 /nfs/dbraw/zinc/55/65/35/664556535.db2.gz GIEUBQGCHORXQJ-CQSZACIVSA-N 1 0 391.313 2.792 20 0 GFADRO Cc1cc(C[NH2+][C@@H]2CCCS(=O)(=O)C2)c(C)cc1I ZINC000921751215 664566406 /nfs/dbraw/zinc/56/64/06/664566406.db2.gz BEKJVASHCXUJMT-CYBMUJFWSA-N 1 0 393.290 2.575 20 0 GFADRO CCn1c(C[NH2+]C[C@H](C)C[C@H](C)O)nc(Br)c1Br ZINC000921769404 664567479 /nfs/dbraw/zinc/56/74/79/664567479.db2.gz JPCPQIWWFFHQNM-BDAKNGLRSA-N 1 0 383.128 2.925 20 0 GFADRO O[C@H](C[NH2+][C@@H]1CC[C@@H]2COCC[C@H]2C1)COc1ccccc1Br ZINC000921856441 664573053 /nfs/dbraw/zinc/57/30/53/664573053.db2.gz KWXNOHCYEAMGJM-ZJIFWQFVSA-N 1 0 384.314 2.984 20 0 GFADRO C[C@@H](NC(=O)NCc1cn(C)nc1Br)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000921877220 664574639 /nfs/dbraw/zinc/57/46/39/664574639.db2.gz CSSQFQOQLIAMPH-CHWSQXEVSA-N 1 0 398.349 2.635 20 0 GFADRO C[N@@H+]1CCCC[C@@H]1CCOC(=O)CNC(=O)c1cccc(Br)c1 ZINC000921930410 664576952 /nfs/dbraw/zinc/57/69/52/664576952.db2.gz LQQSXHWGMIGSQM-OAHLLOKOSA-N 1 0 383.286 2.597 20 0 GFADRO CCn1c(C[NH2+][C@H](CO)CC2CC2)nc(Br)c1Br ZINC000921932836 664577147 /nfs/dbraw/zinc/57/71/47/664577147.db2.gz IYHAJYKJXQXPFA-VIFPVBQESA-N 1 0 381.112 2.679 20 0 GFADRO NC(=O)C[C@H]([NH2+]Cc1cc2c(cc(F)cc2Br)[nH]1)C1CCOCC1 ZINC000921947056 664578037 /nfs/dbraw/zinc/57/80/37/664578037.db2.gz DEYRATOVXMPOHM-HNNXBMFYSA-N 1 0 398.276 2.830 20 0 GFADRO Cc1csc(C[C@@H]2CCN(S(=O)(=O)c3ccc(C[NH+](C)C)cc3)C2)n1 ZINC000921964207 664579383 /nfs/dbraw/zinc/57/93/83/664579383.db2.gz ZMZXZJLTYKHDSG-INIZCTEOSA-N 1 0 379.551 2.766 20 0 GFADRO COc1cc(Br)ccc1CCC[NH2+]Cc1cnc2n1CCOC2 ZINC000921992707 664580545 /nfs/dbraw/zinc/58/05/45/664580545.db2.gz RCOHXIBLVQKJPV-UHFFFAOYSA-N 1 0 380.286 2.907 20 0 GFADRO Cc1cc(C[NH2+]CC2(S(C)(=O)=O)CC2)c(C)cc1I ZINC000922074938 664584383 /nfs/dbraw/zinc/58/43/83/664584383.db2.gz BXFJZBQOUKDXSD-UHFFFAOYSA-N 1 0 393.290 2.575 20 0 GFADRO OC[C@H](C[NH2+]Cc1cnn(CCF)c1)Cc1ccc(F)c(Br)c1 ZINC000922168000 664588668 /nfs/dbraw/zinc/58/86/68/664588668.db2.gz GIRGQINKEMRIRT-ZDUSSCGKSA-N 1 0 388.256 2.695 20 0 GFADRO O=S(=O)(CC[NH2+]Cc1cc2c(cc(F)cc2Br)[nH]1)C1CC1 ZINC000922185703 664589326 /nfs/dbraw/zinc/58/93/26/664589326.db2.gz OPCJTSMZUGUYIL-UHFFFAOYSA-N 1 0 375.263 2.736 20 0 GFADRO CC[N@H+](CCNC(=O)NCCc1nc2c(s1)CCC2)CCC(F)(F)F ZINC000922188344 664589622 /nfs/dbraw/zinc/58/96/22/664589622.db2.gz WBNRWDNIRXUANU-UHFFFAOYSA-N 1 0 378.464 2.748 20 0 GFADRO Cc1nnc([C@@H]2OCC[C@@H]2C[NH2+]Cc2cc(Br)cc3c2OCC3)[nH]1 ZINC000922408002 664600257 /nfs/dbraw/zinc/60/02/57/664600257.db2.gz YQMICQHQTQEHHX-MLGOLLRUSA-N 1 0 393.285 2.678 20 0 GFADRO Cn1cc(C[NH2+]CC2C[C@H]3CC[C@@H](C2)S3)c(I)n1 ZINC000922420388 664601018 /nfs/dbraw/zinc/60/10/18/664601018.db2.gz DEPPSZDVQCFOJW-CLYYMRHHSA-N 1 0 377.295 2.789 20 0 GFADRO CCn1cc([C@@H]2NC(=O)CC[C@H]2[NH2+]Cc2cc(Cl)cc(Cl)c2N)cn1 ZINC000922526205 664605761 /nfs/dbraw/zinc/60/57/61/664605761.db2.gz WLXIGWHCBBISEM-PBHICJAKSA-N 1 0 382.295 2.902 20 0 GFADRO CO[C@]1(C[NH2+]C/C(C)=C\c2cccc(C(F)(F)F)c2)CCS(=O)(=O)C1 ZINC000922617615 664608558 /nfs/dbraw/zinc/60/85/58/664608558.db2.gz RNBOLCCOIKWLPS-RQPMMQJISA-N 1 0 377.428 2.902 20 0 GFADRO O=C(c1cc(Br)ccc1F)N1CCC([NH2+]C2CCOCC2)CC1 ZINC000922856800 664616731 /nfs/dbraw/zinc/61/67/31/664616731.db2.gz SZBYAHMMYHLIRW-UHFFFAOYSA-N 1 0 385.277 2.961 20 0 GFADRO COc1ccc(CNC[C@@H]2CC[N@@H+]2C2CCOCC2)c(Br)c1O ZINC000922953436 664619826 /nfs/dbraw/zinc/61/98/26/664619826.db2.gz MNGDXQSVEUJASJ-AWEZNQCLSA-N 1 0 385.302 2.506 20 0 GFADRO NS(=O)(=O)c1cc(C[NH2+]C[C@@]2(c3ccccc3)CCCO2)ccc1Cl ZINC000922962809 664620141 /nfs/dbraw/zinc/62/01/41/664620141.db2.gz VIHAKJMJNRTIHN-GOSISDBHSA-N 1 0 380.897 2.783 20 0 GFADRO O[C@H]1C[C@H]([NH2+]Cc2cn(-c3ccc(Cl)cc3Cl)nn2)C12CCOCC2 ZINC000923021806 664621322 /nfs/dbraw/zinc/62/13/22/664621322.db2.gz ULLABZFAKVYOCU-HOTGVXAUSA-N 1 0 383.279 2.594 20 0 GFADRO C[C@@H](NC(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1)c1cn(C)nn1 ZINC000923448975 664630731 /nfs/dbraw/zinc/63/07/31/664630731.db2.gz JEBNGNGRJBTVQC-BMIGLBTASA-N 1 0 385.299 2.785 20 0 GFADRO [NH3+][C@@]1(CO)CCCN(Cc2csc(-c3cccc(Br)c3)n2)C1 ZINC000923478949 664631097 /nfs/dbraw/zinc/63/10/97/664631097.db2.gz UREZTDKHNOOSIE-INIZCTEOSA-N 1 0 382.327 2.858 20 0 GFADRO [NH3+][C@@]1(CO)CCCN(Cc2cccc(OCC(F)(F)F)c2Br)C1 ZINC000923474354 664631116 /nfs/dbraw/zinc/63/11/16/664631116.db2.gz GSDDAURNRMAJAU-AWEZNQCLSA-N 1 0 397.235 2.676 20 0 GFADRO O=S(=O)(c1cnc(-c2ccccc2)s1)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000923576026 664634195 /nfs/dbraw/zinc/63/41/95/664634195.db2.gz LIKAHEIEPDOPBL-HOTGVXAUSA-N 1 0 377.535 2.963 20 0 GFADRO [NH3+]C[C@@]1(c2ccccc2)C[C@H](NS(=O)(=O)Cc2cc(F)ccc2Cl)C1 ZINC000923741866 664637401 /nfs/dbraw/zinc/63/74/01/664637401.db2.gz WXTZPDZMAQQTDI-MAEOIBBWSA-N 1 0 382.888 2.958 20 0 GFADRO CC[N@@H+]1CC[C@@H]1CNC(=O)N1CCCC[C@@H]1c1ncc(Br)cn1 ZINC000924022478 664644583 /nfs/dbraw/zinc/64/45/83/664644583.db2.gz RPGKTOOGHFPUGD-ZIAGYGMSSA-N 1 0 382.306 2.570 20 0 GFADRO Cc1[nH]c(=O)c(Br)cc1-c1noc(COC2CC[NH+](C)CC2)n1 ZINC000924139433 664648879 /nfs/dbraw/zinc/64/88/79/664648879.db2.gz FERASYPDUQIALT-UHFFFAOYSA-N 1 0 383.246 2.519 20 0 GFADRO C[C@@H]([NH2+]C[C@@H](c1cccs1)N1CCCC1)C1CCN(S(C)(=O)=O)CC1 ZINC000924531813 664656890 /nfs/dbraw/zinc/65/68/90/664656890.db2.gz OMRAHFIBEDSHID-WBVHZDCISA-N 1 0 385.599 2.535 20 0 GFADRO C[C@@H]([NH2+]CCc1ccc(C(F)(F)F)cc1)C1CCN(S(C)(=O)=O)CC1 ZINC000924560162 664657746 /nfs/dbraw/zinc/65/77/46/664657746.db2.gz VZSAADARSGGCRE-CYBMUJFWSA-N 1 0 378.460 2.898 20 0 GFADRO C[C@H]([NH2+]Cc1ccc(OC(F)(F)F)cc1)C1CCN(S(C)(=O)=O)CC1 ZINC000924591657 664658645 /nfs/dbraw/zinc/65/86/45/664658645.db2.gz NUHAYNNDWZPQAY-LBPRGKRZSA-N 1 0 380.432 2.735 20 0 GFADRO C[C@H]([NH2+][C@@H](c1cccs1)C1CC1)c1ccc(S(=O)(=O)CC(N)=O)cc1 ZINC000924593519 664658713 /nfs/dbraw/zinc/65/87/13/664658713.db2.gz VWYNOPCWUXADLH-KPZWWZAWSA-N 1 0 378.519 2.809 20 0 GFADRO CSC[C@@H]1NC(=O)N(CC2CC[NH+](Cc3ccccc3Cl)CC2)C1=O ZINC000924605828 664658816 /nfs/dbraw/zinc/65/88/16/664658816.db2.gz IBJSXONYXUDCLL-INIZCTEOSA-N 1 0 381.929 2.835 20 0 GFADRO C[C@H]([NH2+]Cc1ccc(F)cc1Br)C1CCN(S(C)(=O)=O)CC1 ZINC000924749623 664660863 /nfs/dbraw/zinc/66/08/63/664660863.db2.gz JUKCOFABHRYADI-NSHDSACASA-N 1 0 393.322 2.738 20 0 GFADRO C[NH+](C)C[C@@H]1NC(=O)N([C@@H]2CCCSc3ccc(Br)cc32)C1=O ZINC000925016227 664665201 /nfs/dbraw/zinc/66/52/01/664665201.db2.gz OCSXXBMTTCXUEK-QWHCGFSZSA-N 1 0 398.326 2.858 20 0 GFADRO COc1ccc(Br)c(C(=O)NCCC[NH2+][C@H](C)C(C)(C)CO)c1 ZINC000925017951 664665251 /nfs/dbraw/zinc/66/52/51/664665251.db2.gz VQKYTIIZDPLAIN-GFCCVEGCSA-N 1 0 387.318 2.574 20 0 GFADRO C[C@H]([NH2+]C[C@H](O)c1ccc(Cl)cc1Cl)C1CCN(S(C)(=O)=O)CC1 ZINC000925030396 664665598 /nfs/dbraw/zinc/66/55/98/664665598.db2.gz WFMIXSMYZSYUBT-ZBEGNZNMSA-N 1 0 395.352 2.677 20 0 GFADRO Cc1cnc(C2CCN(C(=O)N[C@@H]3CCC[N@@H+]4CCSC[C@@H]34)CC2)s1 ZINC000925158829 664667609 /nfs/dbraw/zinc/66/76/09/664667609.db2.gz BGXBEVANMFXIIR-CVEARBPZSA-N 1 0 380.583 2.920 20 0 GFADRO O=C(N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12)N1C[C@@H]2CCC[C@]2(C(F)(F)F)C1 ZINC000925170935 664667882 /nfs/dbraw/zinc/66/78/82/664667882.db2.gz OMGWEYKIZWYHCR-FQLMCAECSA-N 1 0 377.476 2.940 20 0 GFADRO CN(C(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12)[C@H](CO)c1ccc(Cl)cc1 ZINC000925175373 664667959 /nfs/dbraw/zinc/66/79/59/664667959.db2.gz VJXRLORVQLVRNU-ZACQAIPSSA-N 1 0 383.945 2.595 20 0 GFADRO C[C@@H]([NH2+]C[C@H](c1ccc(Cl)cc1)N(C)C)C1CCN(S(C)(=O)=O)CC1 ZINC000925201155 664668645 /nfs/dbraw/zinc/66/86/45/664668645.db2.gz BEVJHECFSDYWKS-RDTXWAMCSA-N 1 0 387.977 2.592 20 0 GFADRO C[C@@H](c1cccc(Br)c1)N1CC(=O)N([C@H]2CCC[N@H+](C)C2)C1=O ZINC000925294247 664669886 /nfs/dbraw/zinc/66/98/86/664669886.db2.gz SYSNPCFQMSTFDM-WFASDCNBSA-N 1 0 380.286 2.869 20 0 GFADRO CC[N@@H+]1CCC[C@@H](N2C(=O)N[C@H](c3ccc(OC)c(Br)c3)C2=O)C1 ZINC000925300513 664670161 /nfs/dbraw/zinc/67/01/61/664670161.db2.gz WLKNTJUYLPMBGA-IUODEOHRSA-N 1 0 396.285 2.535 20 0 GFADRO CCC[N@@H+]1CC[C@H](N2C(=O)[C@H]3Cc4c(Br)cccc4CN3C2=O)C1 ZINC000925357957 664670933 /nfs/dbraw/zinc/67/09/33/664670933.db2.gz IBBHWZGQBPKOSU-XJKSGUPXSA-N 1 0 392.297 2.622 20 0 GFADRO O=C(NCC[NH2+][C@@H](C1CC1)[C@@H]1CCCOC1)c1cccc(Br)c1 ZINC000925401825 664671993 /nfs/dbraw/zinc/67/19/93/664671993.db2.gz WMGYTHKESNQMOY-WBVHZDCISA-N 1 0 381.314 2.974 20 0 GFADRO O[C@H](C[NH2+][C@@H](C1CCC1)[C@H]1CCOC1)COc1ccccc1Br ZINC000925543933 664672860 /nfs/dbraw/zinc/67/28/60/664672860.db2.gz OQCDIKQYRQLRNU-DAYGRLMNSA-N 1 0 384.314 2.984 20 0 GFADRO CCN(CC)S(=O)(=O)c1ccc(CN[C@H](c2ccccc2)[C@H](C)[NH3+])s1 ZINC000925588396 664673389 /nfs/dbraw/zinc/67/33/89/664673389.db2.gz WNWLINOBSSNBRC-KSSFIOAISA-N 1 0 381.567 2.957 20 0 GFADRO C[C@@H]([NH2+]C[C@H]1CCN(S(C)(=O)=O)C1)c1ncc(C(F)(F)F)cc1Cl ZINC000925623415 664673753 /nfs/dbraw/zinc/67/37/53/664673753.db2.gz QNLCCJSXCZYALN-NXEZZACHSA-N 1 0 385.839 2.686 20 0 GFADRO CC[C@@H](NC[C@@H]1C[NH2+]CCC1(F)F)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000925776542 664674579 /nfs/dbraw/zinc/67/45/79/664674579.db2.gz LIEFZBMAMXNQSV-GXTWGEPZSA-N 1 0 395.903 2.534 20 0 GFADRO C[C@H]([NH2+]CC[C@@H]1CNCCS1(=O)=O)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000925791004 664674722 /nfs/dbraw/zinc/67/47/22/664674722.db2.gz DNCXNDPQKXWNIJ-SGMGOOAPSA-N 1 0 395.352 2.516 20 0 GFADRO CC(C)[C@@H]([NH2+]CC[C@@H]1CNCCS1(=O)=O)c1ccc(C(F)(F)F)cc1 ZINC000925791390 664674910 /nfs/dbraw/zinc/67/49/10/664674910.db2.gz GEMBIVVCSRKHKY-HZPDHXFCSA-N 1 0 378.460 2.769 20 0 GFADRO C[C@@H]([NH2+]CC[C@@H]1CNCCS1(=O)=O)c1ccc(-c2ccccc2F)s1 ZINC000925795640 664674945 /nfs/dbraw/zinc/67/49/45/664674945.db2.gz IYINXVTUKQUEKX-ZIAGYGMSSA-N 1 0 382.526 2.982 20 0 GFADRO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(C(=O)Nc1ccc(C)c(Br)c1)C2 ZINC000925932907 664677715 /nfs/dbraw/zinc/67/77/15/664677715.db2.gz SAIBIOIUZQOZOV-JKDFXYPNSA-N 1 0 396.285 2.502 20 0 GFADRO CSc1ccc(Cl)cc1NC(=O)NC[C@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925984410 664678678 /nfs/dbraw/zinc/67/86/78/664678678.db2.gz UDZBOIQBHFBUGT-GFCCVEGCSA-N 1 0 383.901 2.869 20 0 GFADRO COc1ccc(Br)c(NC(=O)N[C@H]2C[NH2+]CC3(CCOCC3)C2)c1 ZINC000926002535 664678932 /nfs/dbraw/zinc/67/89/32/664678932.db2.gz ZJZUYFMYLHCVLE-GFCCVEGCSA-N 1 0 398.301 2.738 20 0 GFADRO COC(=O)c1ccc(NC(=O)N2CC[C@@H](C(F)(F)F)[C@H]([NH3+])C2)cc1Cl ZINC000926035015 664679575 /nfs/dbraw/zinc/67/95/75/664679575.db2.gz AZUYEJZXMVTWKF-ZYHUDNBSSA-N 1 0 379.766 2.870 20 0 GFADRO Cc1nn(C)c(NC(=O)N[C@@H]2C[NH2+]C[C@H]2C)c1-c1ccc(Br)cc1 ZINC000926080506 664681127 /nfs/dbraw/zinc/68/11/27/664681127.db2.gz CIDAMRPJLZYTSY-QMTHXVAHSA-N 1 0 392.301 2.887 20 0 GFADRO [NH3+]C1CCN(CCNC(=O)N[C@H](c2ccc(Cl)cc2)C(F)(F)F)CC1 ZINC000926097283 664681585 /nfs/dbraw/zinc/68/15/85/664681585.db2.gz OVKNIZXUYHQKAG-CQSZACIVSA-N 1 0 378.826 2.666 20 0 GFADRO CC1(C)CN(C(=O)Nc2ccnn2Cc2ccccc2Br)C[C@@H]1[NH3+] ZINC000926098867 664681752 /nfs/dbraw/zinc/68/17/52/664681752.db2.gz GORYORIBVPFIIX-AWEZNQCLSA-N 1 0 392.301 2.895 20 0 GFADRO CCSc1cccc(Br)c1NC(=O)N1CCNCC[NH2+]CC1 ZINC000926128004 664682346 /nfs/dbraw/zinc/68/23/46/664682346.db2.gz MADHGPMVBDTINT-UHFFFAOYSA-N 1 0 387.347 2.588 20 0 GFADRO CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NC(=O)c1csc(C(F)(F)F)c1)C2 ZINC000926138754 664682775 /nfs/dbraw/zinc/68/27/75/664682775.db2.gz UTKRBDFCBVZXPD-UNIGVISCSA-N 1 0 376.444 2.976 20 0 GFADRO Cc1cccc(Br)c1C(=O)N[C@@H]1C[C@]2(C[N@@H+](C)[C@H]2C(C)C)C[C@H]1O ZINC000926149541 664683090 /nfs/dbraw/zinc/68/30/90/664683090.db2.gz CHTVIJXPVVIJTK-IIHSZXCVSA-N 1 0 395.341 2.967 20 0 GFADRO CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)c1ccc(Cl)c(N)c1Cl)C2 ZINC000926152483 664683229 /nfs/dbraw/zinc/68/32/29/664683229.db2.gz BHJFRRQJKGSHID-GQGSAGHOSA-N 1 0 386.323 2.785 20 0 GFADRO Cc1ccc(C(=O)N[C@@H]2C[C@@]3(C[N@@H+](C)[C@@H]3C(C)C)C[C@H]2O)c(Br)c1 ZINC000926162651 664683400 /nfs/dbraw/zinc/68/34/00/664683400.db2.gz DMTIBBQWLDQNSF-MTNOOBJLSA-N 1 0 395.341 2.967 20 0 GFADRO Cc1cc(C[NH2+][C@H](C)c2ccc(S(=O)(=O)CC(N)=O)cc2)ccc1Cl ZINC000926160592 664683496 /nfs/dbraw/zinc/68/34/96/664683496.db2.gz PURVHLOKLFDBRE-CYBMUJFWSA-N 1 0 380.897 2.758 20 0 GFADRO CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)c1csc(Br)c1)C2 ZINC000926182589 664684106 /nfs/dbraw/zinc/68/41/06/664684106.db2.gz ICDKWBCGAYBQCL-HLSYRSCKSA-N 1 0 387.343 2.720 20 0 GFADRO Cc1cc(N2CC[C@H]([NH2+][C@@H](C)C[C@H]3CCC(=O)N3)C2=O)ccc1Br ZINC000926185350 664684362 /nfs/dbraw/zinc/68/43/62/664684362.db2.gz WUOPOMIKRBBKEY-ZENOOKHLSA-N 1 0 394.313 2.510 20 0 GFADRO C[C@@H](NC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)c1cc(Cl)cc(Cl)c1F ZINC000926248533 664685473 /nfs/dbraw/zinc/68/54/73/664685473.db2.gz AKNYGKFAGPUXPA-ADEWGFFLSA-N 1 0 376.259 2.654 20 0 GFADRO CS(=O)(=O)c1ccc(C[NH2+]C2CCN(OCc3ccccc3)CC2)s1 ZINC000926249346 664685483 /nfs/dbraw/zinc/68/54/83/664685483.db2.gz IUKBJKIOBYRJCT-UHFFFAOYSA-N 1 0 380.535 2.837 20 0 GFADRO C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)C)c1cccc(Br)n1 ZINC000926412299 664689579 /nfs/dbraw/zinc/68/95/79/664689579.db2.gz UQELUKDIJYSUIM-AVOUXACISA-N 1 0 395.345 2.578 20 0 GFADRO CCc1nnc(NC(=O)[C@H](C)[C@@H](C)[NH2+][C@H](C)C2(Br)CC2)s1 ZINC000926419580 664689767 /nfs/dbraw/zinc/68/97/67/664689767.db2.gz PXURMJLJHLOPCG-OPRDCNLKSA-N 1 0 375.336 2.969 20 0 GFADRO O=C1CC[C@H]([NH2+][C@@H]2CCCc3ncc(Br)cc32)[C@@H]([C@@H]2CCCO2)N1 ZINC000926445533 664690108 /nfs/dbraw/zinc/69/01/08/664690108.db2.gz UHXCIWFLMBEAPR-CVYDXHPNSA-N 1 0 394.313 2.637 20 0 GFADRO Cc1ccc([C@H](Cc2ccccc2Cl)[NH2+]C[C@]2(O)CCS(=O)(=O)C2)o1 ZINC000926508041 664691011 /nfs/dbraw/zinc/69/10/11/664691011.db2.gz OLGZZJPWWLXFOT-FUHWJXTLSA-N 1 0 383.897 2.664 20 0 GFADRO C[C@H]([NH2+]CCNC(=O)c1ccc(Br)cn1)c1ccnn1C1CCC1 ZINC000926684202 664695249 /nfs/dbraw/zinc/69/52/49/664695249.db2.gz XWYJFLJENAIKMM-LBPRGKRZSA-N 1 0 392.301 2.846 20 0 GFADRO C[C@@H]([NH2+]CCNC(=O)c1ccc(Br)cn1)c1cnn(C2CCC2)c1 ZINC000926683371 664695252 /nfs/dbraw/zinc/69/52/52/664695252.db2.gz NGTOKOCOFOEDCW-GFCCVEGCSA-N 1 0 392.301 2.846 20 0 GFADRO CCO[C@@H](CNC(=O)N1CCC[C@@H]1c1cncc(Br)c1)C[NH+](C)C ZINC000926849007 664697778 /nfs/dbraw/zinc/69/77/78/664697778.db2.gz FTAIBLPGRLFBPL-JKSUJKDBSA-N 1 0 399.333 2.657 20 0 GFADRO C[C@H]([NH2+]CCc1sccc1Br)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000926853894 664698058 /nfs/dbraw/zinc/69/80/58/664698058.db2.gz JJMAWQFIDHWNIC-VIFPVBQESA-N 1 0 394.294 2.934 20 0 GFADRO CN(Cc1ncc(Br)cn1)C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000926976637 664700585 /nfs/dbraw/zinc/70/05/85/664700585.db2.gz JRNHQVXTFCYPHG-HNNXBMFYSA-N 1 0 381.318 2.995 20 0 GFADRO CS(=O)(=O)C[C@@H](O)C[NH2+][C@@H](Cc1ccc(F)cc1)c1ccccc1Cl ZINC000927034760 664702851 /nfs/dbraw/zinc/70/28/51/664702851.db2.gz XIKTVMIMCNUJLI-YJBOKZPZSA-N 1 0 385.888 2.758 20 0 GFADRO C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CCOC1CCOCC1 ZINC000927076076 664703113 /nfs/dbraw/zinc/70/31/13/664703113.db2.gz QDDUKIGZTWZYQG-ZDUSSCGKSA-N 1 0 385.302 2.951 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCC2(n3cc(Br)cn3)CC2)C[C@H]1C ZINC000927110769 664704176 /nfs/dbraw/zinc/70/41/76/664704176.db2.gz VCMGMVBSDQDHMX-UKRRQHHQSA-N 1 0 398.349 2.649 20 0 GFADRO Cn1nnc2c1C[C@H]([NH2+][C@H]1CCCOc3cc(Br)ccc31)CC2 ZINC000927153944 664705307 /nfs/dbraw/zinc/70/53/07/664705307.db2.gz YDMFIBIHKOHZDX-OCCSQVGLSA-N 1 0 377.286 2.938 20 0 GFADRO Cc1c(N2C(=O)N[C@@H](C[NH+](C)C)C2=O)cc(Br)cc1C(F)(F)F ZINC000927764242 664715224 /nfs/dbraw/zinc/71/52/24/664715224.db2.gz XRMGRJKUFMOTHK-JTQLQIEISA-N 1 0 394.191 2.763 20 0 GFADRO C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000927827988 664716335 /nfs/dbraw/zinc/71/63/35/664716335.db2.gz YASWHUNAOVDMAQ-NXEZZACHSA-N 1 0 377.794 2.659 20 0 GFADRO CC1(C)CN(C(=O)C(=O)Nc2cccnc2-c2ccc(Cl)s2)C[C@H]1[NH3+] ZINC000927851699 664716732 /nfs/dbraw/zinc/71/67/32/664716732.db2.gz DSOGIVCVEMAWDK-GFCCVEGCSA-N 1 0 378.885 2.598 20 0 GFADRO [NH3+]CC[C@@H]1CCN(C(=O)C(=O)Nc2ccc(-c3ccc(Cl)s3)nc2)C1 ZINC000927887543 664717246 /nfs/dbraw/zinc/71/72/46/664717246.db2.gz CHOWQXAXUZZVBG-LLVKDONJSA-N 1 0 378.885 2.599 20 0 GFADRO [NH3+]CC[C@H]1CCN(C(=O)C(=O)Nc2cc(Br)c3ccccc3c2)C1 ZINC000927888517 664717365 /nfs/dbraw/zinc/71/73/65/664717365.db2.gz ASIFZJFDWNDGMW-LBPRGKRZSA-N 1 0 390.281 2.738 20 0 GFADRO O=C(Cc1ccc(Br)s1)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000928091147 664722742 /nfs/dbraw/zinc/72/27/42/664722742.db2.gz CGICEPDBAOLRCN-NEPJUHHUSA-N 1 0 375.357 2.749 20 0 GFADRO C[NH+](C)CC[C@H](NC(=O)c1nc(Br)ccc1F)c1cccnc1 ZINC000928834029 664740634 /nfs/dbraw/zinc/74/06/34/664740634.db2.gz RLAXTHODSQMFPH-ZDUSSCGKSA-N 1 0 381.249 2.801 20 0 GFADRO CCOC(=O)[C@H](c1nc(Br)sc1C)N1CCC[N@H+](CC)CC1 ZINC000929481455 664753201 /nfs/dbraw/zinc/75/32/01/664753201.db2.gz FVNYPEKSJRQUCE-ZDUSSCGKSA-N 1 0 390.347 2.846 20 0 GFADRO CC(=O)NCCCCC[N@H+](CCO)Cc1cc(Br)ccc1F ZINC000929505366 664753432 /nfs/dbraw/zinc/75/34/32/664753432.db2.gz ICMBDHOSLIJIGY-UHFFFAOYSA-N 1 0 375.282 2.689 20 0 GFADRO CS(=O)(=O)N(CC(F)(F)F)C1CC[NH+](Cc2ccccc2CF)CC1 ZINC000929631059 664755109 /nfs/dbraw/zinc/75/51/09/664755109.db2.gz CJDZXSNCIVFKCA-UHFFFAOYSA-N 1 0 382.423 2.944 20 0 GFADRO C[C@H]([C@@H](C)S(C)(=O)=O)[N@H+](C)C[C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F ZINC000929640862 664755421 /nfs/dbraw/zinc/75/54/21/664755421.db2.gz WPKKNQLFBYLVBU-UNIGVISCSA-N 1 0 379.444 2.922 20 0 GFADRO C[N@H+](C[C@H]1CCS(=O)(=O)C1)C[C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F ZINC000929699293 664756269 /nfs/dbraw/zinc/75/62/69/664756269.db2.gz KIOQNLZJEWHUAY-IVMMDQJWSA-N 1 0 377.428 2.535 20 0 GFADRO COc1ccc(NC(=O)NC[C@H]2CC[N@@H+]2C2CCOCC2)c(Br)c1 ZINC000930141001 664763360 /nfs/dbraw/zinc/76/33/60/664763360.db2.gz NDKKGWRFDPPEGR-CYBMUJFWSA-N 1 0 398.301 2.833 20 0 GFADRO O=C(NC1CC[NH+](CCc2ccccc2)CC1)c1ncc(Br)cn1 ZINC000930200253 664764316 /nfs/dbraw/zinc/76/43/16/664764316.db2.gz IRAWOLBVVDKYQY-UHFFFAOYSA-N 1 0 389.297 2.676 20 0 GFADRO C[N@@H+]1C[C@H]2CCN(C(=O)Nc3nc(SCc4ccccc4)ns3)[C@@H]2C1 ZINC000930400520 664769353 /nfs/dbraw/zinc/76/93/53/664769353.db2.gz DZKFDPWOZCGLJZ-ZIAGYGMSSA-N 1 0 375.523 2.998 20 0 GFADRO CN1CCN(C(=O)Nc2ccc(Cl)cc2Br)CC[N@H+](C)CC1 ZINC000930407030 664769655 /nfs/dbraw/zinc/76/96/55/664769655.db2.gz YSCZZGHFHWHDSW-UHFFFAOYSA-N 1 0 389.725 2.814 20 0 GFADRO COC(=O)c1cc(Br)ccc1NC(=O)N1CCC12CC[NH+](C)CC2 ZINC000930524127 664772177 /nfs/dbraw/zinc/77/21/77/664772177.db2.gz CBHSIDQHFPDTGT-UHFFFAOYSA-N 1 0 396.285 2.938 20 0 GFADRO CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)Nc1ccncc1Br ZINC000930620660 664774651 /nfs/dbraw/zinc/77/46/51/664774651.db2.gz NEKMGPZQGKOIIW-UHFFFAOYSA-N 1 0 377.286 2.992 20 0 GFADRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)c2cc3cc(Br)cnc3n2C)C1 ZINC000930945514 664781686 /nfs/dbraw/zinc/78/16/86/664781686.db2.gz MTYDYCLXQKXTEV-LBPRGKRZSA-N 1 0 379.302 2.796 20 0 GFADRO CC(C)[N@@H+]1CC[C@H](CNC(=O)C[C@@H]2C(=O)Nc3ccc(Br)cc32)C1 ZINC000930944948 664781727 /nfs/dbraw/zinc/78/17/27/664781727.db2.gz HGBRWWTVGBGRIP-DOMZBBRYSA-N 1 0 394.313 2.721 20 0 GFADRO COc1c(C)[nH]cc(C[N@H+](C)CCOc2ccc(Br)cc2)c1=O ZINC000931322278 664791596 /nfs/dbraw/zinc/79/15/96/664791596.db2.gz PPDRPDFGGRCFLQ-UHFFFAOYSA-N 1 0 381.270 2.965 20 0 GFADRO COc1c(C)[nH]cc(C[N@H+](C)C[C@@H](O)c2ccccc2Br)c1=O ZINC000931325845 664791920 /nfs/dbraw/zinc/79/19/20/664791920.db2.gz USTKDGLELQCQFV-OAHLLOKOSA-N 1 0 381.270 2.620 20 0 GFADRO C[C@H]1CCC[N@@H+]1CCNC(=O)Nc1ccc2nccnc2c1Br ZINC000931389457 664793380 /nfs/dbraw/zinc/79/33/80/664793380.db2.gz DVCUVZTVNWTLRM-NSHDSACASA-N 1 0 378.274 2.998 20 0 GFADRO O=C(NCC[NH+]1CCC(O)CC1)Nc1nc2c(cccc2Br)s1 ZINC000931408639 664794358 /nfs/dbraw/zinc/79/43/58/664794358.db2.gz UWLHINXGALETFA-UHFFFAOYSA-N 1 0 399.314 2.637 20 0 GFADRO C[C@@H](NC(=O)CN1CCC(O)(C[NH+](C)C)CC1)c1ccc(Cl)c(Cl)c1 ZINC000931489193 664796245 /nfs/dbraw/zinc/79/62/45/664796245.db2.gz ZBXXOEZGQYZLMT-CYBMUJFWSA-N 1 0 388.339 2.559 20 0 GFADRO Cc1cnc(Br)c(NC(=O)NC[C@H]2CC[N@@H+]2C2CCOCC2)c1 ZINC000931507806 664796746 /nfs/dbraw/zinc/79/67/46/664796746.db2.gz DHXWJQCDDKZCGZ-CYBMUJFWSA-N 1 0 383.290 2.527 20 0 GFADRO COCCC[NH+]1CCC(NC(=O)c2nc(C(C)C)ncc2Br)CC1 ZINC000931628253 664801025 /nfs/dbraw/zinc/80/10/25/664801025.db2.gz YHYPCOYXLURXOK-UHFFFAOYSA-N 1 0 399.333 2.593 20 0 GFADRO COC1(OC)CCOC[C@@H]1[NH2+]Cc1cc(Br)cc2cccnc21 ZINC000931672136 664802423 /nfs/dbraw/zinc/80/24/23/664802423.db2.gz UJXWOEJVJUPCKT-HNNXBMFYSA-N 1 0 381.270 2.865 20 0 GFADRO CC(C)(C)OCCC[NH+]1CCN(C[C@@](C)(O)C(F)(F)C(F)(F)F)CC1 ZINC000931696507 664803099 /nfs/dbraw/zinc/80/30/99/664803099.db2.gz MTYUNHUOXBKFRL-CQSZACIVSA-N 1 0 376.410 2.758 20 0 GFADRO C[C@@]1([C@H]2CCC[N@H+](Cc3cn4cc(Br)ccc4n3)C2)COC(=O)N1 ZINC000932027516 664809025 /nfs/dbraw/zinc/80/90/25/664809025.db2.gz QJGDHBSQIZJNOH-SJCJKPOMSA-N 1 0 393.285 2.807 20 0 GFADRO Cn1ccc(C2CC[NH+](C[C@@H](O)COc3ccc(Br)cc3)CC2)n1 ZINC000932148952 664811301 /nfs/dbraw/zinc/81/13/01/664811301.db2.gz VDZVLOVMZJLVBN-MRXNPFEDSA-N 1 0 394.313 2.802 20 0 GFADRO Cn1ccc(C2CC[NH+](C[C@H](O)COc3ccc(Br)cc3)CC2)n1 ZINC000932148949 664811413 /nfs/dbraw/zinc/81/14/13/664811413.db2.gz VDZVLOVMZJLVBN-INIZCTEOSA-N 1 0 394.313 2.802 20 0 GFADRO C[NH+](C)CC1CCN(C(=O)C[C@H]2C(=O)Nc3c2cccc3Br)CC1 ZINC000932713461 664832771 /nfs/dbraw/zinc/83/27/71/664832771.db2.gz STBNFGAJDFKKIK-CQSZACIVSA-N 1 0 394.313 2.675 20 0 GFADRO CC(=O)N1CCC([N@@H+]2CCC[C@@](O)(c3ccc(Br)cc3)C2)CC1 ZINC000932816323 664840174 /nfs/dbraw/zinc/84/01/74/664840174.db2.gz UHTIESHFXOKSQO-SFHVURJKSA-N 1 0 381.314 2.743 20 0 GFADRO C[NH+](C)CCN(Cc1cccs1)C(=O)N[C@H]([C@@H]1CCOC1)C(F)(F)F ZINC000933014897 664847066 /nfs/dbraw/zinc/84/70/66/664847066.db2.gz RFVGYTRXQXYBNP-TZMCWYRMSA-N 1 0 379.448 2.789 20 0 GFADRO CN(CCCC[NH+](C)C)C(=O)[C@@](C)(O)c1ccc(F)c(Br)c1 ZINC000933213749 664852884 /nfs/dbraw/zinc/85/28/84/664852884.db2.gz LDFLINWYDJADFI-INIZCTEOSA-N 1 0 375.282 2.596 20 0 GFADRO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)c1cc(Br)c2nccnc2c1 ZINC000933292475 664855322 /nfs/dbraw/zinc/85/53/22/664855322.db2.gz AINUKWMZACXKEI-HNNXBMFYSA-N 1 0 377.286 2.805 20 0 GFADRO C[C@](O)(C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1)c1ccc(F)c(Br)c1 ZINC000933331524 664859530 /nfs/dbraw/zinc/85/95/30/664859530.db2.gz FHVFUMYXCOUPQR-SCLBCKFNSA-N 1 0 399.304 2.740 20 0 GFADRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C[C@H]1C(=O)Nc2c1cccc2Br ZINC000933437278 664863944 /nfs/dbraw/zinc/86/39/44/664863944.db2.gz ZVSVGABKBLRTMA-KYOSRNDESA-N 1 0 394.313 2.674 20 0 GFADRO C[C@@H]1C[C@H](N(C)C(=O)[C@@](C)(O)c2ccc(F)c(Br)c2)CC[N@@H+]1C ZINC000933440491 664864434 /nfs/dbraw/zinc/86/44/34/664864434.db2.gz DQDPBAKUNUPJCU-NDGTYSDOSA-N 1 0 387.293 2.737 20 0 GFADRO C[C@@H]1C[C@H](N(C)C(=O)C[C@@H]2C(=O)Nc3c2cccc3Br)CC[N@@H+]1C ZINC000933440365 664864482 /nfs/dbraw/zinc/86/44/82/664864482.db2.gz DAELYNVFOWJWPB-BZPMIXESSA-N 1 0 394.313 2.816 20 0 GFADRO O=C(CC[N@@H+]1CCOC[C@@H]1C[C@H]1CCOC1)Nc1ccc(Br)cc1 ZINC000933672056 664872173 /nfs/dbraw/zinc/87/21/73/664872173.db2.gz HDMKYAKEMJDOBU-PBHICJAKSA-N 1 0 397.313 2.905 20 0 GFADRO COc1ccc(C[N@@H+]2C[C@@H](C)[C@H](CS(N)(=O)=O)C2)cc1SC(F)(F)F ZINC000933699320 664873562 /nfs/dbraw/zinc/87/35/62/664873562.db2.gz JPSOZUNLJXBTCN-PWSUYJOCSA-N 1 0 398.472 2.664 20 0 GFADRO C[N@@H+]1C[C@@H]2CN(Cc3nc(Cc4cccc(Br)c4)no3)C[C@]2(C)C1 ZINC000933740570 664876099 /nfs/dbraw/zinc/87/60/99/664876099.db2.gz LBMQTBUDVQEYOY-KDOFPFPSSA-N 1 0 391.313 2.806 20 0 GFADRO C[C@H]1CC[N@H+](CCNC(=O)c2cc(Br)cnc2Br)C1 ZINC000933930414 664882111 /nfs/dbraw/zinc/88/21/11/664882111.db2.gz UUFFVMPFKCXFHV-VIFPVBQESA-N 1 0 391.107 2.678 20 0 GFADRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)c2nc(C)ccc2Br)C1 ZINC000934001971 664886493 /nfs/dbraw/zinc/88/64/93/664886493.db2.gz OBBYGUMAMGSAQD-AWEZNQCLSA-N 1 0 384.318 2.725 20 0 GFADRO CCO[C@H](CNC(=O)Nc1nc2ccc3scnc3c2s1)C[NH+](C)C ZINC000934009536 664886788 /nfs/dbraw/zinc/88/67/88/664886788.db2.gz YKPXVFRTPFRBCT-SNVBAGLBSA-N 1 0 379.511 2.994 20 0 GFADRO C[C@H](NCC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)c1cncs1 ZINC000934199076 664892002 /nfs/dbraw/zinc/89/20/02/664892002.db2.gz YGFDKFYBZJPYMT-AWEZNQCLSA-N 1 0 376.551 2.981 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C[C@H]2C(=O)Nc3ccc(Br)cc32)C1 ZINC000934192839 664892042 /nfs/dbraw/zinc/89/20/42/664892042.db2.gz CGLMOIVSGZEYFV-UMVBOHGHSA-N 1 0 394.313 2.864 20 0 GFADRO C[C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000934260660 664895105 /nfs/dbraw/zinc/89/51/05/664895105.db2.gz BTEXNRNYKPYXIR-DQYPLSBCSA-N 1 0 386.323 2.851 20 0 GFADRO O=C(CC[N@H+]1CC[C@@H]2[C@H]1CCCN2CCO)Nc1cc(Cl)ccc1Cl ZINC000934264762 664895633 /nfs/dbraw/zinc/89/56/33/664895633.db2.gz PEXYTSQREUEAAK-IAGOWNOFSA-N 1 0 386.323 2.853 20 0 GFADRO O=C(Nc1c(Br)cnn1C1CC1)N1CCC([NH+]2CC=CC2)CC1 ZINC000934371324 664902710 /nfs/dbraw/zinc/90/27/10/664902710.db2.gz GOKACSIWGZNBRG-UHFFFAOYSA-N 1 0 380.290 2.849 20 0 GFADRO COC(=O)c1ccc(Br)c(C[NH2+][C@@H]2CCOC23CCOCC3)c1 ZINC000934399908 664905589 /nfs/dbraw/zinc/90/55/89/664905589.db2.gz QUVRGQKUPFBBPB-OAHLLOKOSA-N 1 0 384.270 2.663 20 0 GFADRO Cc1ccc(NC(=O)C[NH2+][C@H]2CCOC23CCOCC3)c(Br)c1 ZINC000934407256 664905925 /nfs/dbraw/zinc/90/59/25/664905925.db2.gz YDDMLJFMWHUPMA-HNNXBMFYSA-N 1 0 383.286 2.624 20 0 GFADRO Cc1cc(NC(=O)C[NH2+][C@H]2CCOC23CCOCC3)ccc1Br ZINC000934405523 664905943 /nfs/dbraw/zinc/90/59/43/664905943.db2.gz JAAYOGUFRJURPX-HNNXBMFYSA-N 1 0 383.286 2.624 20 0 GFADRO C[C@@H]([NH2+][C@H]1CCOC12CCOCC2)C(=O)Nc1ccccc1Br ZINC000934408662 664906156 /nfs/dbraw/zinc/90/61/56/664906156.db2.gz HUWDXKHDUKTGCT-DOMZBBRYSA-N 1 0 383.286 2.704 20 0 GFADRO C[C@H](NC(=O)C[NH2+][C@@H]1CCOC12CCOCC2)c1ccc(Br)cc1 ZINC000934411205 664906493 /nfs/dbraw/zinc/90/64/93/664906493.db2.gz WDWXEEVTWXUNFZ-XJKSGUPXSA-N 1 0 397.313 2.554 20 0 GFADRO C[C@]12CSC[C@H]1C[N@H+](CC(=O)Nc1cc(Cl)ccc1-n1cncn1)C2 ZINC000934772979 664920194 /nfs/dbraw/zinc/92/01/94/664920194.db2.gz LBFMWACNKKFELN-PXAZEXFGSA-N 1 0 377.901 2.544 20 0 GFADRO OC[C@H]([NH2+]C[C@@H]1C[C@@H]2CCC[C@@H]2O1)c1ccccc1I ZINC000934825382 664923899 /nfs/dbraw/zinc/92/38/99/664923899.db2.gz CWCGHCOWBJDJBI-APYUEPQZSA-N 1 0 387.261 2.872 20 0 GFADRO OC[C@H]([NH2+]CC1(O)CCCCC1)c1ccccc1I ZINC000934826539 664924608 /nfs/dbraw/zinc/92/46/08/664924608.db2.gz MXJJZADLDBFNKU-AWEZNQCLSA-N 1 0 375.250 2.609 20 0 GFADRO CC(C)c1ncc(Br)c(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)n1 ZINC000934891654 664928561 /nfs/dbraw/zinc/92/85/61/664928561.db2.gz TZGSAKKYUFISQM-TZMCWYRMSA-N 1 0 381.318 2.919 20 0 GFADRO C[C@H]1C[NH+](C)C[C@H](C)N1C(=O)c1cc2ccc(Br)cc2c(=O)o1 ZINC000935089590 664939172 /nfs/dbraw/zinc/93/91/72/664939172.db2.gz KSIKERFWHNIXHJ-QWRGUYRKSA-N 1 0 379.254 2.720 20 0 GFADRO C[C@@H](NC(=O)c1cc(=O)[nH]cc1Br)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000935316035 664953563 /nfs/dbraw/zinc/95/35/63/664953563.db2.gz OUOMCVHYZDYISW-VXGBXAGGSA-N 1 0 382.302 2.933 20 0 GFADRO O=Cc1cc(C(=O)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)c(Cl)s1 ZINC000935318992 664953882 /nfs/dbraw/zinc/95/38/82/664953882.db2.gz YKSQEMQLAZCQDO-AWEZNQCLSA-N 1 0 378.881 2.711 20 0 GFADRO CC[NH+](CC)CCOCCNC(=O)c1cc(Br)cnc1C1CC1 ZINC000935371750 664957352 /nfs/dbraw/zinc/95/73/52/664957352.db2.gz PQTRZGHXGKBEKR-UHFFFAOYSA-N 1 0 384.318 2.810 20 0 GFADRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1cnn2cccc(Br)c12 ZINC000935976331 665002221 /nfs/dbraw/zinc/00/22/21/665002221.db2.gz MARHDSBWQWKGLV-SWLSCSKDSA-N 1 0 377.286 2.796 20 0 GFADRO Cc1ccc2[nH]c(C(=O)N3CC[C@@H]([N@@H+]4CC[C@@H](O)C4)C3)cc2c1Br ZINC000935981852 665002402 /nfs/dbraw/zinc/00/24/02/665002402.db2.gz TVIPEEALRWPULF-CHWSQXEVSA-N 1 0 392.297 2.520 20 0 GFADRO O=C1NC2(CCCC2)C(=O)N1CC[NH2+][C@@H]1CCc2cc(Br)ccc21 ZINC000956998665 665012971 /nfs/dbraw/zinc/01/29/71/665012971.db2.gz YMARAWXWTJBNEI-OAHLLOKOSA-N 1 0 392.297 2.891 20 0 GFADRO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(C(=O)c3ccc(Cl)s3)C[C@H]2C)CC[N@@H+]1C ZINC000959683951 665014189 /nfs/dbraw/zinc/01/41/89/665014189.db2.gz OTGGUHVRLOTKBZ-XJFOESAGSA-N 1 0 383.945 2.709 20 0 GFADRO C[N@@H+]1CCCC[C@@H]1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(Cl)cs1)C2 ZINC000996387990 665030879 /nfs/dbraw/zinc/03/08/79/665030879.db2.gz NQUQNZVSAIJNMI-CBBWQLFWSA-N 1 0 381.929 2.748 20 0 GFADRO C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)c2sccc2Cl)C1 ZINC000998633331 665040608 /nfs/dbraw/zinc/04/06/08/665040608.db2.gz WDXAZPJKSQBDGU-NEBZKDRISA-N 1 0 381.929 2.605 20 0 GFADRO C[C@@H]1[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cc(Cl)cs2)C3)CC[N@@H+]1C ZINC001002614555 665055774 /nfs/dbraw/zinc/05/57/74/665055774.db2.gz KTHBBPXTJBIMQW-GZENYHORSA-N 1 0 381.929 2.603 20 0 GFADRO C[N@@H+]1CC[C@@H](CC(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ccsc2Cl)C3)C1 ZINC001002619991 665056411 /nfs/dbraw/zinc/05/64/11/665056411.db2.gz QLVHRAPTYSHCMS-MXYBEHONSA-N 1 0 381.929 2.605 20 0 GFADRO O=C(NC1CC[NH+](CC[C@H]2CC2(Cl)Cl)CC1)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001003337304 665059968 /nfs/dbraw/zinc/05/99/68/665059968.db2.gz UEPOJMZSRWOLEC-DARAHFNDSA-N 1 0 375.340 2.966 20 0 GFADRO C[C@@H]1C[C@H](N(C)C(=O)C(=O)Nc2nc(-c3cccs3)cs2)CC[N@@H+]1C ZINC000120481610 677396407 /nfs/dbraw/zinc/39/64/07/677396407.db2.gz WIQORMQPTAWLPH-VXGBXAGGSA-N 1 0 378.523 2.751 20 0 GFADRO CCCN(CC[NH+](C)C)C(=O)c1cc(I)c(F)cc1F ZINC000120877786 677398313 /nfs/dbraw/zinc/39/83/13/677398313.db2.gz OMOKQKTWAQYXFL-UHFFFAOYSA-N 1 0 396.219 2.983 20 0 GFADRO Cn1ncc(C(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1Br ZINC000379146321 677405606 /nfs/dbraw/zinc/40/56/06/677405606.db2.gz CXFYLESGIPKGJQ-OAHLLOKOSA-N 1 0 391.313 2.825 20 0 GFADRO Cn1ncc(C(=O)NC[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)c1Br ZINC000383162836 677406667 /nfs/dbraw/zinc/40/66/67/677406667.db2.gz DHFAAKCKZHQUDG-GOSISDBHSA-N 1 0 391.313 2.825 20 0 GFADRO Cc1ccc(Br)cc1S(=O)(=O)NCc1ccc(CC[NH3+])cc1 ZINC000386035723 677407182 /nfs/dbraw/zinc/40/71/82/677407182.db2.gz WMQYKFWDIZBZJX-UHFFFAOYSA-N 1 0 383.311 2.737 20 0 GFADRO Brc1c[nH]c(CNC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)n1 ZINC000390709972 677408793 /nfs/dbraw/zinc/40/87/93/677408793.db2.gz WKLRJWHRDMMITN-OAHLLOKOSA-N 1 0 379.302 2.553 20 0 GFADRO Cc1nc(Cl)ccc1S(=O)(=O)N[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000398118488 677411963 /nfs/dbraw/zinc/41/19/63/677411963.db2.gz ABSHHEKKSLXNDW-CJNGLKHVSA-N 1 0 379.913 2.985 20 0 GFADRO CO[C@H](c1ccc(Br)cc1)[C@@H](C)[NH2+]C1CCS(=O)(=O)CC1 ZINC000463275198 677412786 /nfs/dbraw/zinc/41/27/86/677412786.db2.gz UPOYEGIBXLCLFC-ABAIWWIYSA-N 1 0 376.316 2.692 20 0 GFADRO CN1CCc2nc(Cl)nc(N3CCC4(CC[NH2+]CC4)[C@@H]3C(F)(F)F)c2C1 ZINC001164389779 718815943 /nfs/dbraw/zinc/81/59/43/718815943.db2.gz YWWVADSJUYUPDF-CQSZACIVSA-N 1 0 389.853 2.629 20 0 GFADRO COc1ccc(-c2nc3ccc(F)cc3c(N3CCN4CC[NH2+]C[C@@H]4C3)n2)cc1 ZINC001164392845 718831361 /nfs/dbraw/zinc/83/13/61/718831361.db2.gz RRFFLCKRBOCPNG-QGZVFWFLSA-N 1 0 393.466 2.538 20 0 GFADRO FC(F)(c1cnc(Cl)cc1Cl)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001164416214 718884764 /nfs/dbraw/zinc/88/47/64/718884764.db2.gz URPXWARWFUGHKZ-UHFFFAOYSA-N 1 0 389.237 2.624 20 0 GFADRO FC(F)(c1cc(Cl)ncc1Cl)N1CCCO[C@@]2(C[NH2+]CCOC2)C1 ZINC001164420524 718912847 /nfs/dbraw/zinc/91/28/47/718912847.db2.gz KIGVHNRGTSXAIK-AWEZNQCLSA-N 1 0 382.238 2.519 20 0 GFADRO CCC[N@@H+]1CCCC[C@H]1c1ccc(N2C[C@H]3C[C@@H](C2)[C@@H](C(=O)OCC)N3)nc1 ZINC001164615237 719004074 /nfs/dbraw/zinc/00/40/74/719004074.db2.gz HBLSAIVSHYDEIX-JTJHWIPRSA-N 1 0 386.540 2.748 20 0 GFADRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(F)(F)c1cc(Cl)ncc1Cl ZINC001164614138 719012983 /nfs/dbraw/zinc/01/29/83/719012983.db2.gz CRMFHXWMZIANOI-KPXOXKRLSA-N 1 0 380.222 2.663 20 0 GFADRO CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@H]2N1C(F)(F)c1ccnc(Cl)c1Cl ZINC001164617112 719013215 /nfs/dbraw/zinc/01/32/15/719013215.db2.gz MIDGEXFJIIBVLX-DVVUODLYSA-N 1 0 380.222 2.663 20 0 GFADRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(F)(F)c1ccc2ncnc(Cl)c2c1 ZINC001164616542 719014132 /nfs/dbraw/zinc/01/41/32/719014132.db2.gz LAIXZNZAGUHAOK-NZVBXONLSA-N 1 0 396.825 2.558 20 0 GFADRO CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@H]2N1C(F)(F)c1ccc2nc(Cl)cnc2c1 ZINC001164619760 719014345 /nfs/dbraw/zinc/01/43/45/719014345.db2.gz WZSVHTUTUSPKEP-WKPIXPDZSA-N 1 0 396.825 2.558 20 0 GFADRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@@H]2N1C(F)(F)c1ccc2nc(Cl)cnc2c1 ZINC001164619748 719014457 /nfs/dbraw/zinc/01/44/57/719014457.db2.gz WZSVHTUTUSPKEP-LKTVYLICSA-N 1 0 396.825 2.558 20 0 GFADRO CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@H]2N1C(F)(F)c1ccc(SC)c(Cl)n1 ZINC001164617765 719015380 /nfs/dbraw/zinc/01/53/80/719015380.db2.gz PDMCDFJOFRFIEI-OUAUKWLOSA-N 1 0 391.871 2.732 20 0 GFADRO CCOC(=O)C1CC[NH+](C2CCN(c3ncc4ccc(OC)cc4n3)CC2)CC1 ZINC001164613891 719024876 /nfs/dbraw/zinc/02/48/76/719024876.db2.gz JACYPNUVVSDYEI-UHFFFAOYSA-N 1 0 398.507 2.882 20 0 GFADRO CCOC(=O)C1CC[NH+](C2CCN(c3nc(C)c(C)nc3Cl)CC2)CC1 ZINC001164616981 719027605 /nfs/dbraw/zinc/02/76/05/719027605.db2.gz GUIDYJWEWZDVRF-UHFFFAOYSA-N 1 0 380.920 2.991 20 0 GFADRO COC(=O)c1c[nH]c2ncnc(N3CCC[C@@H]4C[N@H+](Cc5ccccc5)C[C@H]43)c12 ZINC001164625089 719083837 /nfs/dbraw/zinc/08/38/37/719083837.db2.gz MQGBJDHUVNGPIR-SJLPKXTDSA-N 1 0 391.475 2.845 20 0 GFADRO O=C1CSc2ncnc(N3CCC[C@H]4C[N@H+](Cc5ccccc5)C[C@H]43)c2N1 ZINC001164626838 719111285 /nfs/dbraw/zinc/11/12/85/719111285.db2.gz IZEPBYGRDFDWGE-JKSUJKDBSA-N 1 0 381.505 2.622 20 0 GFADRO CCOC(=O)c1ccc(C(F)(F)N2C[C@H](CF)[C@H](C3([NH3+])CC3)C2)c(Cl)n1 ZINC001164625299 719121223 /nfs/dbraw/zinc/12/12/23/719121223.db2.gz WSGMVLPTHAKKJR-CMPLNLGQSA-N 1 0 391.821 2.970 20 0 GFADRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1c1ncccc1C(=O)NCCSCc1ccco1 ZINC001164641637 719216842 /nfs/dbraw/zinc/21/68/42/719216842.db2.gz USTBEGBVXITBDA-JKSUJKDBSA-N 1 0 388.537 2.867 20 0 GFADRO CCOC(=O)c1c(Cl)c2ccccc2nc1N1C[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC001164672353 719435999 /nfs/dbraw/zinc/43/59/99/719435999.db2.gz QWPDEOCJBIFSDW-GJZGRUSLSA-N 1 0 375.856 2.584 20 0 GFADRO CC(C)N(C)Cc1nn(C(F)(F)c2cnc(Cl)cc2N)c2c1CC[NH2+]C2 ZINC001164684576 719625497 /nfs/dbraw/zinc/62/54/97/719625497.db2.gz VEKSNBYYEMBHJN-UHFFFAOYSA-N 1 0 384.862 2.597 20 0 GFADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1cccc(-c3cccc(Cl)n3)n1)CC2 ZINC001164683701 719721562 /nfs/dbraw/zinc/72/15/62/719721562.db2.gz CRULQGWOVXJUHK-UHFFFAOYSA-N 1 0 399.926 2.978 20 0 GFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1nccc(Cl)n1)C2 ZINC001164811689 720080490 /nfs/dbraw/zinc/08/04/90/720080490.db2.gz PGFBBKSMTHEECO-WMLDXEAASA-N 1 0 386.874 2.860 20 0 GFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(C)nc(Cl)c1OC)C2 ZINC001164815403 720115002 /nfs/dbraw/zinc/11/50/02/720115002.db2.gz VFTFOMQRFNWBCX-HNAYVOBHSA-N 1 0 380.920 2.632 20 0 GFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nccc(N3CCCCC3)n1)C2 ZINC001164809069 720140414 /nfs/dbraw/zinc/14/04/14/720140414.db2.gz GQLFEXYUHAFZKT-DENIHFKCSA-N 1 0 385.556 2.652 20 0 GFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ncc3ncn(C(C)C)c3n1)C2 ZINC001164813623 720170297 /nfs/dbraw/zinc/17/02/97/720170297.db2.gz CVZDHEGEJIUEQF-DYESRHJHSA-N 1 0 384.528 2.592 20 0 GFADRO Cn1nnc2c1CCN(c1cc3ccccc3cn1)[C@H]2COCC[NH+]1CCCC1 ZINC001164714016 720172357 /nfs/dbraw/zinc/17/23/57/720172357.db2.gz NJDFRWZDGXXQHH-FQEVSTJZSA-N 1 0 392.507 2.580 20 0 GFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cc(-c3ccncc3)ncn1)C2 ZINC001164817503 720174337 /nfs/dbraw/zinc/17/43/37/720174337.db2.gz PQFZSEQCDGTULY-KNQAVFIVSA-N 1 0 379.508 2.723 20 0 GFADRO CC(C)Oc1cccc(N2CCCn3c(=O)cc(C[N@H+](C)C(C)C)nc3C2)n1 ZINC001164812743 720226418 /nfs/dbraw/zinc/22/64/18/720226418.db2.gz ISVOOJUAQSWNFY-UHFFFAOYSA-N 1 0 385.512 2.676 20 0 GFADRO CC(C)Oc1ccnc(N2CCCn3c(=O)cc(C[N@H+](C)C(C)C)nc3C2)c1 ZINC001164813551 720227765 /nfs/dbraw/zinc/22/77/65/720227765.db2.gz OVLSCHBOYSGQNL-UHFFFAOYSA-N 1 0 385.512 2.676 20 0 GFADRO COc1cnc(N2CCCn3c(=O)cc(C[N@H+](C)C(C)C)nc3C2)c(Cl)c1 ZINC001164814077 720228342 /nfs/dbraw/zinc/22/83/42/720228342.db2.gz UHGCGQZEAYCDEF-UHFFFAOYSA-N 1 0 391.903 2.551 20 0 GFADRO Cc1cc(C(C)C)nc(N2CCCn3c(=O)cc(C[N@@H+](C)C(C)C)nc3C2)n1 ZINC001164816019 720246131 /nfs/dbraw/zinc/24/61/31/720246131.db2.gz FJLDPANHTXWMST-UHFFFAOYSA-N 1 0 384.528 2.716 20 0 GFADRO Cc1nc(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2cc(C[NH+](C)C)ccn2)cs1 ZINC001164817454 720259361 /nfs/dbraw/zinc/25/93/61/720259361.db2.gz RILZWHZMGVTGEQ-ROUUACIJSA-N 1 0 385.537 2.678 20 0 GFADRO Cc1nc(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2cc(C[NH+](C)C)ccn2)cs1 ZINC001164817452 720259948 /nfs/dbraw/zinc/25/99/48/720259948.db2.gz RILZWHZMGVTGEQ-QZTJIDSGSA-N 1 0 385.537 2.678 20 0 GFADRO Cc1nc2sccc2c(N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164816939 720285799 /nfs/dbraw/zinc/28/57/99/720285799.db2.gz ACHLFUREYAMOJG-MSOLQXFVSA-N 1 0 399.564 2.911 20 0 GFADRO Cc1nc(C(C)C)cc(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164819598 720294546 /nfs/dbraw/zinc/29/45/46/720294546.db2.gz DQTXVGXLUJHAPS-VQTJNVASSA-N 1 0 385.556 2.820 20 0 GFADRO CC(C)Oc1cccc(N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164832890 720323991 /nfs/dbraw/zinc/32/39/91/720323991.db2.gz URPZMMNPXDIALG-OALUTQOASA-N 1 0 386.540 2.780 20 0 GFADRO CCc1c(Cl)ncnc1N1CC[C@@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164829795 720343242 /nfs/dbraw/zinc/34/32/42/720343242.db2.gz UKHZQGVDIALEDJ-IAGOWNOFSA-N 1 0 391.947 2.604 20 0 GFADRO CCSc1cncc(N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164829125 720343847 /nfs/dbraw/zinc/34/38/47/720343847.db2.gz QPPASXKJYQJKFZ-SJORKVTESA-N 1 0 389.569 2.500 20 0 GFADRO COC(=O)CSc1cccc(N2CC[C@@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)n1 ZINC001164731997 720421748 /nfs/dbraw/zinc/42/17/48/720421748.db2.gz MTILVGZMUFNQIK-IAGOWNOFSA-N 1 0 384.505 2.595 20 0 GFADRO CCOC(=O)c1c(Cl)cc(C)nc1N1Cc2nccn2C[C@@H](C[NH+](C)C)C1 ZINC001164732291 720506696 /nfs/dbraw/zinc/50/66/96/720506696.db2.gz UNXNEQGTHCUEQB-CQSZACIVSA-N 1 0 391.903 2.615 20 0 GFADRO CCOC(=O)c1ccc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)nc1 ZINC001164837855 720508643 /nfs/dbraw/zinc/50/86/43/720508643.db2.gz QANSJYFIWDICIG-HSALFYBXSA-N 1 0 397.523 2.833 20 0 GFADRO COc1ccc2nc(N3Cc4nccn4C[C@H](C[NH+](C)C)C3)c(Cl)nc2c1 ZINC001164726173 720512531 /nfs/dbraw/zinc/51/25/31/720512531.db2.gz BFBVPZJGCGIDNV-ZDUSSCGKSA-N 1 0 386.887 2.686 20 0 GFADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3ncnc4cccnc43)CC[C@@H]21 ZINC001164835797 720517173 /nfs/dbraw/zinc/51/71/73/720517173.db2.gz LKXICHBJECODRD-LNLFQRSKSA-N 1 0 377.496 2.599 20 0 GFADRO COc1ccccc1-c1ccc(N2Cc3nccn3C[C@@H](C[NH+](C)C)C2)nn1 ZINC001164734968 720524999 /nfs/dbraw/zinc/52/49/99/720524999.db2.gz UITPMOKCIBAUPW-MRXNPFEDSA-N 1 0 378.480 2.547 20 0 GFADRO COc1cccc(-c2ccc(N3Cc4nccn4C[C@@H](C[NH+](C)C)C3)nn2)c1 ZINC001164732868 720525168 /nfs/dbraw/zinc/52/51/68/720525168.db2.gz GJANDMBTZZMTTD-MRXNPFEDSA-N 1 0 378.480 2.547 20 0 GFADRO Cc1cnc(N2Cc3nccn3C[C@@H](C[NH+](C)C)C2)nc1-c1ccccc1F ZINC001164736194 720532957 /nfs/dbraw/zinc/53/29/57/720532957.db2.gz VJPQBTCCNBLPOT-MRXNPFEDSA-N 1 0 380.471 2.986 20 0 GFADRO CC(=O)Nc1cccc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)n1 ZINC001164835021 720543266 /nfs/dbraw/zinc/54/32/66/720543266.db2.gz GSYZWZYVZDXUGV-GUDVDZBRSA-N 1 0 382.512 2.614 20 0 GFADRO F[C@H](Oc1ccnc(Cl)c1)N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001164733706 720557649 /nfs/dbraw/zinc/55/76/49/720557649.db2.gz PTUWVLIOHHZRQG-SFHVURJKSA-N 1 0 379.867 2.718 20 0 GFADRO COc1ccc2nc(N3CCc4ncc(C[NH+]5CCCC5)n4CC3)nc(C)c2c1 ZINC001164728809 720570475 /nfs/dbraw/zinc/57/04/75/720570475.db2.gz MHTAZUPMERPBSS-UHFFFAOYSA-N 1 0 392.507 2.802 20 0 GFADRO FC(F)(c1cncc(Cl)n1)N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001164736621 720577038 /nfs/dbraw/zinc/57/70/38/720577038.db2.gz PGPRDVAULJDVIV-UHFFFAOYSA-N 1 0 382.846 2.530 20 0 GFADRO c1nc2n(c1C[NH+]1CCCC1)CCN(c1ccnc(Cc3ccccc3)n1)CC2 ZINC001164737005 720585428 /nfs/dbraw/zinc/58/54/28/720585428.db2.gz YERANUPASXNPRP-UHFFFAOYSA-N 1 0 388.519 2.922 20 0 GFADRO Cc1cccc2c1nc(Cl)nc2N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164737622 720668824 /nfs/dbraw/zinc/66/88/24/720668824.db2.gz GPXNENLZTBSSIW-CABCVRRESA-N 1 0 396.882 2.724 20 0 GFADRO Cc1ccc2c(c1)nc(Cl)nc2N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164737616 720702037 /nfs/dbraw/zinc/70/20/37/720702037.db2.gz GOIMWFVIMLEZMM-HUUCEWRRSA-N 1 0 396.882 2.724 20 0 GFADRO C[NH+](C)Cc1ccnc(N2CC[C@@H]3O[C@@H](COCc4ccccn4)CC[C@H]32)c1 ZINC001164843821 720778379 /nfs/dbraw/zinc/77/83/79/720778379.db2.gz AUZJPNJNOWMTQC-NJYVYQBISA-N 1 0 382.508 2.881 20 0 GFADRO COc1cc2ccnc(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)c2cc1F ZINC001164745491 720802268 /nfs/dbraw/zinc/80/22/68/720802268.db2.gz KPOBWKYLJWTHAY-JKSUJKDBSA-N 1 0 395.438 2.514 20 0 GFADRO COCC[N@@H+]1CCO[C@H]2CN(c3nc(SC)nc4sccc43)CC[C@@H]2C1 ZINC001164857165 720837285 /nfs/dbraw/zinc/83/72/85/720837285.db2.gz XYIXTMOHIKSOQB-HIFRSBDPSA-N 1 0 394.566 2.587 20 0 GFADRO CSc1cccc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164744739 720845236 /nfs/dbraw/zinc/84/52/36/720845236.db2.gz LNYAKMPFXRZNII-FGTMMUONSA-N 1 0 384.553 2.774 20 0 GFADRO COCC[N@@H+]1CCO[C@@H]2CN(c3nc(C)nc4cc(Cl)ccc43)CC[C@@H]2C1 ZINC001164853531 720856597 /nfs/dbraw/zinc/85/65/97/720856597.db2.gz GXNLJMKOEJCINF-DNVCBOLYSA-N 1 0 390.915 2.765 20 0 GFADRO c1cncc(COC[C@@H]2C[N@H+](CC3CC3)C[C@@]23CCN(c2cccnn2)C3)c1 ZINC001164752881 720868450 /nfs/dbraw/zinc/86/84/50/720868450.db2.gz NGDPQQWDYOGALE-RBBKRZOGSA-N 1 0 379.508 2.627 20 0 GFADRO Cc1cnc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)cn1 ZINC001164755751 720869064 /nfs/dbraw/zinc/86/90/64/720869064.db2.gz YSBYCWRXHMKINX-GGAORHGYSA-N 1 0 393.535 2.935 20 0 GFADRO COCC[N@@H+]1CCO[C@@H]2CN(c3ncccc3OCc3ccccc3)CC[C@H]2C1 ZINC001164860050 720873428 /nfs/dbraw/zinc/87/34/28/720873428.db2.gz NZZUMWVUCPPKEJ-RBBKRZOGSA-N 1 0 397.519 2.834 20 0 GFADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1ccc(CN3CCOCC3)cn1)[C@H]2C ZINC001164857794 720927125 /nfs/dbraw/zinc/92/71/25/720927125.db2.gz MNIWXABLJKXVCD-SFHVURJKSA-N 1 0 398.555 2.532 20 0 GFADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1ccc(C(=O)NC3CC3)cn1)[C@H]2C ZINC001164857142 720968714 /nfs/dbraw/zinc/96/87/14/720968714.db2.gz CLDPJDYUAYMGHY-HNNXBMFYSA-N 1 0 382.512 2.592 20 0 GFADRO COC(=O)c1cc2c[nH]c(N3CCn4c(C[N@H+](C)C(C)C)cnc4[C@@H]3C)cc-2n1 ZINC001164858870 720989335 /nfs/dbraw/zinc/98/93/35/720989335.db2.gz IRZXEMCBFIIQDL-AWEZNQCLSA-N 1 0 396.495 2.967 20 0 GFADRO Cc1nc2sccc2c(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164869401 721041341 /nfs/dbraw/zinc/04/13/41/721041341.db2.gz SRRKAQGRTCKDAD-IAGOWNOFSA-N 1 0 381.505 2.874 20 0 GFADRO FC(F)(c1cnc(Cl)cn1)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164867762 721054926 /nfs/dbraw/zinc/05/49/26/721054926.db2.gz KGAVNCIOQBUTPV-CABCVRRESA-N 1 0 395.841 2.550 20 0 GFADRO C[NH+]1CCN(c2ccc(N3CCC[C@]4(C[C@H](c5ccccc5)CO4)C3)nn2)CC1 ZINC001164774629 721057820 /nfs/dbraw/zinc/05/78/20/721057820.db2.gz XKOSGTYFQJGODS-REWPJTCUSA-N 1 0 393.535 2.772 20 0 GFADRO FC(F)(c1cnc(Cl)nc1)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164870008 721061569 /nfs/dbraw/zinc/06/15/69/721061569.db2.gz VDPYQOHECGYJKL-JKSUJKDBSA-N 1 0 395.841 2.550 20 0 GFADRO COc1cccc2c1ncnc2N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164865861 721061890 /nfs/dbraw/zinc/06/18/90/721061890.db2.gz ARWXSTWUBSZSRO-ROUUACIJSA-N 1 0 391.475 2.513 20 0 GFADRO Cc1ccc2ncnc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)c2c1 ZINC001164868336 721065933 /nfs/dbraw/zinc/06/59/33/721065933.db2.gz NWHFIFAVRSLGOY-MOPGFXCFSA-N 1 0 375.476 2.813 20 0 GFADRO Clc1nnc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)c2c1CCCC2 ZINC001164867403 721079888 /nfs/dbraw/zinc/07/98/88/721079888.db2.gz YIXAWNSDKLBOKR-IRXDYDNUSA-N 1 0 399.926 2.884 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4cnc5cccc(Cl)c5n4)C[C@H]3C2)cn1 ZINC001164771635 721095070 /nfs/dbraw/zinc/09/50/70/721095070.db2.gz SIULSZUICSVEDS-HZPDHXFCSA-N 1 0 382.899 2.975 20 0 GFADRO Cc1nc2cc(F)ccc2c(N2C[C@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)n1 ZINC001164766646 721099340 /nfs/dbraw/zinc/09/93/40/721099340.db2.gz LBOMJDSUHWTONZ-IAGOWNOFSA-N 1 0 380.471 2.769 20 0 GFADRO COc1nc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)nc2ccccc21 ZINC001164865173 721102056 /nfs/dbraw/zinc/10/20/56/721102056.db2.gz JJNXETZVLKEZGD-ZWKOTPCHSA-N 1 0 391.475 2.513 20 0 GFADRO CCOc1ccc2ncnc(N3C[C@@H]4CC[N@H+](Cc5cnn(C)c5)C[C@H]4C3)c2c1 ZINC001164771764 721143609 /nfs/dbraw/zinc/14/36/09/721143609.db2.gz SZLNIYDFNHEZIV-ROUUACIJSA-N 1 0 392.507 2.720 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4ncc5cc(Cl)ccc5n4)C[C@@H]3C2)cn1 ZINC001164761736 721143730 /nfs/dbraw/zinc/14/37/30/721143730.db2.gz BALNPLBTSNEUND-RDJZCZTQSA-N 1 0 382.899 2.975 20 0 GFADRO COc1cccc2ncnc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)c21 ZINC001164871635 721150990 /nfs/dbraw/zinc/15/09/90/721150990.db2.gz GBOYZKRTBZBVRB-QZTJIDSGSA-N 1 0 391.475 2.513 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4ccc(-c5cccs5)nn4)C[C@@H]3C2)cn1 ZINC001164772309 721160424 /nfs/dbraw/zinc/16/04/24/721160424.db2.gz VNFHMSBJXWATJL-SJORKVTESA-N 1 0 380.521 2.897 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4ccc(-c5ccc(F)cc5)nn4)C[C@H]3C2)cn1 ZINC001164770111 721211966 /nfs/dbraw/zinc/21/19/66/721211966.db2.gz NDLPBONCFNNOFD-RTBURBONSA-N 1 0 392.482 2.975 20 0 GFADRO c1ccc(CN2CCc3ncnc(N4CC5(C4)CC[N@@H+](CC4CC4)C5)c3C2)cc1 ZINC001164766330 721281953 /nfs/dbraw/zinc/28/19/53/721281953.db2.gz DHERTSOHJQQPMD-UHFFFAOYSA-N 1 0 389.547 2.957 20 0 GFADRO CSc1cccc(N2CC[C@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)n1 ZINC001164898898 721431746 /nfs/dbraw/zinc/43/17/46/721431746.db2.gz XPYCJIVZWQMOLU-PXNSSMCTSA-N 1 0 376.570 2.569 20 0 GFADRO Cc1cc2c(ccnc2N2CC[C@@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)o1 ZINC001164893132 721439467 /nfs/dbraw/zinc/43/94/67/721439467.db2.gz JFRDWMMOPIAYRX-PGRDOPGGSA-N 1 0 384.524 2.902 20 0 GFADRO C[NH+](C)Cc1ccnc(N2CCCC[C@@]23CC(=O)N(Cc2cccnc2)C3)c1 ZINC001164896987 721475705 /nfs/dbraw/zinc/47/57/05/721475705.db2.gz YZNGWCPLVBBKPT-QFIPXVFZSA-N 1 0 379.508 2.700 20 0 GFADRO Fc1cccnc1OC[C@]12COC[C@H]1CN(c1ncccc1C[NH+]1CCCC1)C2 ZINC001164793430 721488692 /nfs/dbraw/zinc/48/86/92/721488692.db2.gz SISQXGVMNDPECS-GCJKJVERSA-N 1 0 398.482 2.743 20 0 GFADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ccc3ncccc3n2)[C@@H]2CCCO[C@@H]12 ZINC001164808401 721548908 /nfs/dbraw/zinc/54/89/08/721548908.db2.gz RWOFCFAMQIWBMM-KCZVDYSFSA-N 1 0 375.476 2.893 20 0 GFADRO CC(C)COc1nccnc1N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164906084 721560663 /nfs/dbraw/zinc/56/06/63/721560663.db2.gz ISLSMMUPIXTNRY-PKOBYXMFSA-N 1 0 386.471 2.992 20 0 GFADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc3nc[nH]c3cc2Cl)[C@@H]2CCCO[C@@H]12 ZINC001164802199 721562297 /nfs/dbraw/zinc/56/22/97/721562297.db2.gz HPLFHHWYFXSUKB-KZNAEPCWSA-N 1 0 398.898 2.875 20 0 GFADRO COc1ncc(Cl)c(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)n1 ZINC001164908647 721562660 /nfs/dbraw/zinc/56/26/60/721562660.db2.gz RITZMQUUOFCVHE-ZFWWWQNUSA-N 1 0 378.835 2.620 20 0 GFADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc3nc[nH]c3cc2Cl)[C@@H]2CCCO[C@H]12 ZINC001164802196 721562900 /nfs/dbraw/zinc/56/29/00/721562900.db2.gz HPLFHHWYFXSUKB-KURKYZTESA-N 1 0 398.898 2.875 20 0 GFADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cc(-c3ncc[nH]3)ccn2)[C@H]2CCCO[C@@H]12 ZINC001164798168 721569271 /nfs/dbraw/zinc/56/92/71/721569271.db2.gz ANFYVGOPFGWLPN-QKNQBKEWSA-N 1 0 390.491 2.735 20 0 GFADRO CN(C)c1cc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)ncn1 ZINC001164906024 721584355 /nfs/dbraw/zinc/58/43/55/721584355.db2.gz YOFNUUSAAIGCFL-IBGZPJMESA-N 1 0 388.466 2.675 20 0 GFADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2nccc3c4c([nH]c32)CCC4)CC1 ZINC001165013094 721749716 /nfs/dbraw/zinc/74/97/16/721749716.db2.gz UGJODRROTGWEMP-UHFFFAOYSA-N 1 0 381.524 2.575 20 0 GFADRO c1cc(OCC[NH+]2CCCC2)nc(N2CCc3ncnc(C4CC4)c3CC2)c1 ZINC001164917686 721803909 /nfs/dbraw/zinc/80/39/09/721803909.db2.gz WVMHGDNGIWPBNZ-UHFFFAOYSA-N 1 0 379.508 2.829 20 0 GFADRO Cc1cnc2n1CCN(C)C21CCN(c2ccc(C[NH+]3CCCC3)cn2)CC1 ZINC001164918285 721818979 /nfs/dbraw/zinc/81/89/79/721818979.db2.gz LTSBYMJVAKITCD-UHFFFAOYSA-N 1 0 380.540 2.623 20 0 GFADRO C[N@H+](Cc1ccc(N2C[C@H]3COC[C@]3(COCc3ccccn3)C2)nc1)C1CC1 ZINC001164926818 721840180 /nfs/dbraw/zinc/84/01/80/721840180.db2.gz SFZDHFBNJIRYOO-CVDCTZTESA-N 1 0 394.519 2.740 20 0 GFADRO C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2c1cc(C(=O)Nc2ccccc2)ccn1 ZINC001164924837 721865253 /nfs/dbraw/zinc/86/52/53/721865253.db2.gz LNSRJHBCAJAGCV-WOJBJXKFSA-N 1 0 379.508 2.549 20 0 GFADRO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2c1nc(Cl)ccc1CN1CCCC1 ZINC001164924306 721867777 /nfs/dbraw/zinc/86/77/77/721867777.db2.gz KSJZEPGZKUPEBQ-ZWKOTPCHSA-N 1 0 377.964 2.545 20 0 GFADRO CN(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2c1cc(-c2nc(C(C)(C)C)no2)ccn1 ZINC001164920867 721875180 /nfs/dbraw/zinc/87/51/80/721875180.db2.gz BHNXGYSUCZATCI-DLBZAZTESA-N 1 0 384.528 2.644 20 0 GFADRO Cc1cc(N2CC[C@@H]3[C@@H]2CC[N@H+]3CCN(C)C)nc(-c2ccc(Cl)nc2)n1 ZINC001164933530 721886554 /nfs/dbraw/zinc/88/65/54/721886554.db2.gz MOPVAHUQMYSSBU-SJORKVTESA-N 1 0 386.931 2.715 20 0 GFADRO FC(F)(F)c1nnc(N2CCN(c3ccc(C[NH+]4CCCC4)cn3)CC2)s1 ZINC001165052338 721999526 /nfs/dbraw/zinc/99/95/26/721999526.db2.gz QDFJLXOAZLKRBC-UHFFFAOYSA-N 1 0 398.458 2.874 20 0 GFADRO CC[NH+](CC)C1CCN(c2nc(Cl)nc3c2cc(C(=O)OC)n3C)CC1 ZINC001165053374 722005200 /nfs/dbraw/zinc/00/52/00/722005200.db2.gz PJUXPJNMYPTWEY-UHFFFAOYSA-N 1 0 379.892 2.719 20 0 GFADRO CCOC(=O)c1cnc(N2CCC([NH+](CC)CC)CC2)cc1C(=O)OCC ZINC001165054164 722007732 /nfs/dbraw/zinc/00/77/32/722007732.db2.gz LDJKSXSJOXIUIV-UHFFFAOYSA-N 1 0 377.485 2.746 20 0 GFADRO CN(C)C(=O)N[C@H]1CCO[C@]2(CC[N@@H+](C(C)(C)c3ccnc(Cl)c3)C2)C1 ZINC001164952715 722011411 /nfs/dbraw/zinc/01/14/11/722011411.db2.gz AGCMGVWIDRXQNP-HNAYVOBHSA-N 1 0 380.920 2.865 20 0 GFADRO COc1cccc(-c2ccnc(N3CC[NH+](CCc4ccccn4)CC3)n2)c1 ZINC001165055054 722015753 /nfs/dbraw/zinc/01/57/53/722015753.db2.gz BBTDHEVGINZHRX-UHFFFAOYSA-N 1 0 375.476 2.912 20 0 GFADRO CCOC(=O)c1cnc(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)nc1C ZINC001164953773 722016864 /nfs/dbraw/zinc/01/68/64/722016864.db2.gz ZEIBVSGYUYFTIX-UHFFFAOYSA-N 1 0 395.507 2.849 20 0 GFADRO COc1ccc(-c2ccc(N3CC[NH+](CCc4ccccn4)CC3)nn2)cc1 ZINC001165055612 722017188 /nfs/dbraw/zinc/01/71/88/722017188.db2.gz RIVBKRPOXLAMCE-UHFFFAOYSA-N 1 0 375.476 2.912 20 0 GFADRO c1cn(Cc2ccccc2)c2ncnc(N3C[C@@H]4C[N@H+](CC5CC5)C[C@H](C3)O4)c12 ZINC001164966786 722072628 /nfs/dbraw/zinc/07/26/28/722072628.db2.gz CFFZIDLTWMGNMM-BGYRXZFFSA-N 1 0 389.503 2.779 20 0 GFADRO Cc1ccc(-c2nc3c(ncnc3N3C[C@@H]4C[N@@H+](CC5CC5)C[C@H](C3)O4)o2)cc1 ZINC001164966561 722075898 /nfs/dbraw/zinc/07/58/98/722075898.db2.gz BFLLQPMZSUKOSX-HDICACEKSA-N 1 0 391.475 2.893 20 0 GFADRO Clc1cnc(Cl)nc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164976344 722102104 /nfs/dbraw/zinc/10/21/04/722102104.db2.gz CQHZUGBEWPLFQP-ZBFHGGJFSA-N 1 0 394.306 2.906 20 0 GFADRO Clc1nc2c(c(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)n1)CCC2 ZINC001164979151 722103691 /nfs/dbraw/zinc/10/36/91/722103691.db2.gz HFNSZUMZWMFSDS-APWZRJJASA-N 1 0 399.926 2.741 20 0 GFADRO c1cncc(C[N@@H+]2CCO[C@@H]3CN(c4ccc5cccnc5n4)CC[C@@H]3C2)c1 ZINC001164970883 722112902 /nfs/dbraw/zinc/11/29/02/722112902.db2.gz AHKASJIEWWFQMJ-WOJBJXKFSA-N 1 0 375.476 2.752 20 0 GFADRO C=C(OCC)c1ccc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)nn1 ZINC001164981093 722118552 /nfs/dbraw/zinc/11/85/52/722118552.db2.gz SLXMUEIESSLDGA-TZIWHRDSSA-N 1 0 395.507 2.606 20 0 GFADRO CCOC(=O)c1nc(NCCCC[NH+]2CCOCC2)ccc1Br ZINC000603284883 532087267 /nfs/dbraw/zinc/08/72/67/532087267.db2.gz WGHKFYWPOMRVQC-UHFFFAOYSA-N 1 0 386.290 2.545 20 0 GFADRO CCOC(=O)c1nc(Nc2cnn(CC[NH+](C)C)c2)ccc1Br ZINC000603282102 532087275 /nfs/dbraw/zinc/08/72/75/532087275.db2.gz QALXDSFQCVJGOB-UHFFFAOYSA-N 1 0 382.262 2.523 20 0 GFADRO CC1(C)C[C@@H](O)CCN(CCS(=O)(=O)c2ccc(Br)cc2)C1 ZINC000395496418 563530606 /nfs/dbraw/zinc/53/06/06/563530606.db2.gz INZFTAISDNOWFC-AWEZNQCLSA-N 1 0 390.343 2.706 20 0 GFADRO CC(C)C(=O)Nc1ccc(CNC(=O)c2cnn(CC[NH+]3CCCCC3)c2)cc1 ZINC000359865042 206266252 /nfs/dbraw/zinc/26/62/52/206266252.db2.gz FKPGUSHKKDUTOD-UHFFFAOYSA-N 1 0 397.523 2.894 20 0 GFADRO CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1C[C@H](O)c1cccc(Br)c1 ZINC000359898167 206268790 /nfs/dbraw/zinc/26/87/90/206268790.db2.gz MEDRFGOMEMWCJC-KURKYZTESA-N 1 0 381.314 2.958 20 0 GFADRO C[C@H](C(=O)NCC(F)(F)F)[N@@H+]1C[C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H]2C1 ZINC000359993567 206277798 /nfs/dbraw/zinc/27/77/98/206277798.db2.gz KUJYQPOZEGTKJO-XJFOESAGSA-N 1 0 393.450 2.679 20 0 GFADRO CC(C)N(C)C(=O)C1CC[NH+]([C@@H](C)C(=O)N2CCc3sccc3C2)CC1 ZINC000075704288 208035670 /nfs/dbraw/zinc/03/56/70/208035670.db2.gz JIZPKVNEKMJKTO-HNNXBMFYSA-N 1 0 377.554 2.600 20 0 GFADRO COc1ccccc1-c1ncc(C[NH2+][C@H]2CCCN(c3ncccn3)C2)cn1 ZINC000064131678 136156708 /nfs/dbraw/zinc/15/67/08/136156708.db2.gz LUROVIFVQPNLQT-KRWDZBQOSA-N 1 0 376.464 2.701 20 0 GFADRO CC[C@@H]([NH2+][C@H]1CCCN(S(C)(=O)=O)C1)c1cccc(Br)c1 ZINC000400173974 563534652 /nfs/dbraw/zinc/53/46/52/563534652.db2.gz LYHTUOHAJNQKIX-LSDHHAIUSA-N 1 0 375.332 2.914 20 0 GFADRO O=C(N[C@H]1CC[NH2+]C12CCCC2)c1ccc(F)cc1I ZINC000401430533 563535379 /nfs/dbraw/zinc/53/53/79/563535379.db2.gz FNQMBBQRUFYMKL-ZDUSSCGKSA-N 1 0 388.224 2.835 20 0 GFADRO CC[C@H](C(=O)NC[C@H](CO)Cc1ccc(Br)cc1)[NH+](CC)CC ZINC000430135884 563535469 /nfs/dbraw/zinc/53/54/69/563535469.db2.gz HDDIGRYKDDYTBT-NVXWUHKLSA-N 1 0 385.346 2.837 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)C(=O)NC[C@@H](CC(C)C)[NH+](C)C ZINC000041322740 551135290 /nfs/dbraw/zinc/13/52/90/551135290.db2.gz ITTWORGAJCHJQC-CQSZACIVSA-N 1 0 384.318 2.789 20 0 GFADRO CC[NH+]1CCC(NC(=O)Cc2csc(NC(=O)c3cccs3)n2)CC1 ZINC000044019524 551143118 /nfs/dbraw/zinc/14/31/18/551143118.db2.gz LJSROTWMBRMLGY-UHFFFAOYSA-N 1 0 378.523 2.600 20 0 GFADRO O=C(CNC(=O)c1ccc(Cl)cc1Cl)N1CC[NH+](C2CCCC2)CC1 ZINC000045084720 551145598 /nfs/dbraw/zinc/14/55/98/551145598.db2.gz WOJQFOABGGKZHT-UHFFFAOYSA-N 1 0 384.307 2.810 20 0 GFADRO CN(CC(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1)C(=O)c1cccs1 ZINC000046147534 551149341 /nfs/dbraw/zinc/14/93/41/551149341.db2.gz WRYTZXHMURCBFF-AWEZNQCLSA-N 1 0 377.535 2.835 20 0 GFADRO C[NH+](C)CC(=O)N1CCN(C(=O)c2sc3cc(F)ccc3c2Cl)CC1 ZINC000046408924 551150766 /nfs/dbraw/zinc/15/07/66/551150766.db2.gz FJXLQQMGFPEVNM-UHFFFAOYSA-N 1 0 383.876 2.540 20 0 GFADRO CSc1nc2ccc(NC(=O)C(=O)NCCC[NH+]3CCCC3)cc2s1 ZINC000049275477 551158611 /nfs/dbraw/zinc/15/86/11/551158611.db2.gz VMIQPJATGVJGRN-UHFFFAOYSA-N 1 0 378.523 2.559 20 0 GFADRO CCC[N@@H+]1CC[C@@H](CNC(=O)NCc2cc(Br)ccc2OC)C1 ZINC000050058981 551160297 /nfs/dbraw/zinc/16/02/97/551160297.db2.gz PDFHXHFMXLBSJR-ZDUSSCGKSA-N 1 0 384.318 2.989 20 0 GFADRO Cc1cc(Br)ccc1C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000053569799 551166711 /nfs/dbraw/zinc/16/67/11/551166711.db2.gz BPBTUNYWPIPCKI-UHFFFAOYSA-N 1 0 381.314 2.942 20 0 GFADRO CCC[NH+]1CCC(N(C)S(=O)(=O)c2cc(C(=O)OC)ccc2Cl)CC1 ZINC000055298213 551172796 /nfs/dbraw/zinc/17/27/96/551172796.db2.gz KESCVCYGXZORLT-UHFFFAOYSA-N 1 0 388.917 2.622 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)c(C)c1C(=O)NC[C@@H](C)[NH+](C)C ZINC000056892126 551178223 /nfs/dbraw/zinc/17/82/23/551178223.db2.gz BNBQRCIFRXJFEK-LLVKDONJSA-N 1 0 379.302 2.932 20 0 GFADRO C[C@H](C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1)[NH+]1CCC(C)CC1 ZINC000058271784 551182283 /nfs/dbraw/zinc/18/22/83/551182283.db2.gz GWHXKIKOIUADKR-CYBMUJFWSA-N 1 0 387.933 2.649 20 0 GFADRO COCC[N@H+](C)CCNC(=O)N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000067421278 551188836 /nfs/dbraw/zinc/18/88/36/551188836.db2.gz DOWUXPNMSYEXBL-MRXNPFEDSA-N 1 0 390.311 2.655 20 0 GFADRO CN(CC(=O)NC1CC[NH+](C2CC2)CC1)Cc1ccccc1Br ZINC000067960892 551190810 /nfs/dbraw/zinc/19/08/10/551190810.db2.gz XUYUUEDTZVNJCQ-UHFFFAOYSA-N 1 0 380.330 2.624 20 0 GFADRO CCCC[NH+]1CCC(NS(=O)(=O)c2ccc(C(=O)OC)cc2Cl)CC1 ZINC000068903038 551194121 /nfs/dbraw/zinc/19/41/21/551194121.db2.gz YLFQYQMICFAUNX-UHFFFAOYSA-N 1 0 388.917 2.669 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)C1CC1 ZINC000097126804 551196384 /nfs/dbraw/zinc/19/63/84/551196384.db2.gz LYKLOLUOYORLEM-XJKSGUPXSA-N 1 0 384.307 2.803 20 0 GFADRO C[C@@H](C(=O)NCCNC(=O)c1cccc(Br)c1)[NH+]1[C@H](C)CC[C@H]1C ZINC000101670039 551197586 /nfs/dbraw/zinc/19/75/86/551197586.db2.gz JPAAFOVRYBGSIQ-MCIONIFRSA-N 1 0 396.329 2.556 20 0 GFADRO C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000112613019 551206044 /nfs/dbraw/zinc/20/60/44/551206044.db2.gz GKAZAAAHAGOJPO-OAHLLOKOSA-N 1 0 380.330 2.750 20 0 GFADRO COCC[NH+]1CCC(NC(=O)c2ccnc(SCC(F)(F)F)c2)CC1 ZINC000112631582 551206607 /nfs/dbraw/zinc/20/66/07/551206607.db2.gz DFDAYYSTEMGYGT-UHFFFAOYSA-N 1 0 377.432 2.577 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(Br)cc2C)[C@H](C)C1 ZINC000119679742 551218461 /nfs/dbraw/zinc/21/84/61/551218461.db2.gz AYSVNOVEZBARQN-CZUORRHYSA-N 1 0 396.329 2.885 20 0 GFADRO Cc1cccc(NC(=O)C(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)c1Br ZINC000120989297 551224330 /nfs/dbraw/zinc/22/43/30/551224330.db2.gz OOSLNYCEQDAMPU-CQSZACIVSA-N 1 0 396.329 2.933 20 0 GFADRO Cc1cccc(NC(=O)C(=O)NCCC2CC[NH+](C)CC2)c1Br ZINC000121052257 551226336 /nfs/dbraw/zinc/22/63/36/551226336.db2.gz MDPIYSYMLGOMHW-UHFFFAOYSA-N 1 0 382.302 2.544 20 0 GFADRO C[NH2+]CCCNC(=O)c1ccccc1N(C)C(=O)c1ccc(Br)o1 ZINC000121375947 551233372 /nfs/dbraw/zinc/23/33/72/551233372.db2.gz FKIAUWRGDOQMIU-UHFFFAOYSA-N 1 0 394.269 2.658 20 0 GFADRO NC(=O)[C@@H](c1ccc(Br)cc1F)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000121868260 551244346 /nfs/dbraw/zinc/24/43/46/551244346.db2.gz PTPJLWUDGQXKOZ-MLGOLLRUSA-N 1 0 384.293 2.532 20 0 GFADRO CCOc1c(Br)cc(Cl)cc1NC(=O)NCC[NH2+]CCOC ZINC000414781665 563752775 /nfs/dbraw/zinc/75/27/75/563752775.db2.gz WAWFCCAMSWUATL-UHFFFAOYSA-N 1 0 394.697 2.859 20 0 GFADRO CCN1CC[NH+](C[C@H](C)CNC(=O)c2cc(Br)ccc2F)CC1 ZINC000122359663 551297006 /nfs/dbraw/zinc/29/70/06/551297006.db2.gz NNPOZNGVLOKZCV-CYBMUJFWSA-N 1 0 386.309 2.592 20 0 GFADRO CCN1CC[NH+](C[C@H](C)CNC(=O)CSCc2ccc(Cl)cc2)CC1 ZINC000122377454 551297429 /nfs/dbraw/zinc/29/74/29/551297429.db2.gz SQYKSZZDPIHUFC-MRXNPFEDSA-N 1 0 383.989 2.963 20 0 GFADRO CC(C)[C@@H](CNC(=O)C(=O)Nc1ccccc1Br)[NH+]1CCCC1 ZINC000122798615 551302046 /nfs/dbraw/zinc/30/20/46/551302046.db2.gz KSKGVTGOHZKDID-OAHLLOKOSA-N 1 0 382.302 2.624 20 0 GFADRO C[C@@H]1CC[C@@H](C)[NH+]1CCC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1Cl ZINC000123062696 551302637 /nfs/dbraw/zinc/30/26/37/551302637.db2.gz CZJMULDLNVYQFL-CHWSQXEVSA-N 1 0 387.933 2.792 20 0 GFADRO COc1ccsc1S(=O)(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000123276429 551304431 /nfs/dbraw/zinc/30/44/31/551304431.db2.gz RLRXXLBZCOGDHX-HOCLYGCPSA-N 1 0 380.535 2.946 20 0 GFADRO Cc1sc(C(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)cc1CS(C)(=O)=O ZINC000123390009 551305934 /nfs/dbraw/zinc/30/59/34/551305934.db2.gz KSCUXYQVPSLEBW-INIZCTEOSA-N 1 0 386.583 2.841 20 0 GFADRO Cc1cc(NC(=O)C(=O)NCC[NH+]2CCCCCC2)ccc1Br ZINC000123887686 551309790 /nfs/dbraw/zinc/30/97/90/551309790.db2.gz IWWZFQWHPFFMPK-UHFFFAOYSA-N 1 0 382.302 2.688 20 0 GFADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cc1cccc(I)c1 ZINC000124384834 551313940 /nfs/dbraw/zinc/31/39/40/551313940.db2.gz YUEALVPMHLDKQX-CVEARBPZSA-N 1 0 398.288 2.919 20 0 GFADRO Cc1ccc(-n2nc(Br)cc2C(=O)NC[C@@H]2CC[N@@H+](C)C2)cc1 ZINC000124672652 551316273 /nfs/dbraw/zinc/31/62/73/551316273.db2.gz GTWNEVSOWMPVIY-ZDUSSCGKSA-N 1 0 377.286 2.625 20 0 GFADRO C[C@H]1C[C@H](N(C)C(=O)Cc2ccccc2I)CC[N@@H+]1C ZINC000124886979 551318572 /nfs/dbraw/zinc/31/85/72/551318572.db2.gz HQENBBZRNDEFOP-GXTWGEPZSA-N 1 0 386.277 2.775 20 0 GFADRO CC[N@@H+]1CC[C@H](CNC(=O)c2ccc(S(=O)(=O)c3ccccc3)s2)C1 ZINC000125752099 551324225 /nfs/dbraw/zinc/32/42/25/551324225.db2.gz DHDIJNGWLDPBTM-CQSZACIVSA-N 1 0 378.519 2.653 20 0 GFADRO C[C@H](C[S@@](C)=O)[N@H+](C)CCCOc1cccc(I)c1 ZINC000126109213 551326248 /nfs/dbraw/zinc/32/62/48/551326248.db2.gz RMLFILRRMLIWOW-BLVKFPJESA-N 1 0 395.306 2.759 20 0 GFADRO C[C@H](C[S@](C)=O)[N@H+](C)CCCOc1cccc(I)c1 ZINC000126108827 551326438 /nfs/dbraw/zinc/32/64/38/551326438.db2.gz RMLFILRRMLIWOW-CWTRNNRKSA-N 1 0 395.306 2.759 20 0 GFADRO C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@H](C(N)=O)c1ccccc1 ZINC000126122417 551326676 /nfs/dbraw/zinc/32/66/76/551326676.db2.gz LQMMVDDPBONWJC-SJCJKPOMSA-N 1 0 390.281 2.982 20 0 GFADRO O=C(CNC(=O)c1ccc(Cl)c(Cl)c1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000126982892 551335527 /nfs/dbraw/zinc/33/55/27/551335527.db2.gz JDLCOHNJYXXVDC-ZDUSSCGKSA-N 1 0 384.307 2.668 20 0 GFADRO Cc1ccc(Br)c(S(=O)(=O)NCCC2CC[NH+](C)CC2)c1 ZINC000126987021 551335862 /nfs/dbraw/zinc/33/58/62/551335862.db2.gz LYFYEKYCTIJYNV-UHFFFAOYSA-N 1 0 375.332 2.768 20 0 GFADRO Cc1c(Cl)cccc1S(=O)(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000127452343 551340918 /nfs/dbraw/zinc/34/09/18/551340918.db2.gz NITMCBUIKOMWHL-IAGOWNOFSA-N 1 0 386.945 2.695 20 0 GFADRO O=C1NCCN1C1CC[NH+](CC2=Cc3cc(Br)ccc3OC2)CC1 ZINC000127615192 551342782 /nfs/dbraw/zinc/34/27/82/551342782.db2.gz GBILPBUOVDZAMG-UHFFFAOYSA-N 1 0 392.297 2.715 20 0 GFADRO CCN(CCC[NH2+][C@H](C)c1sc(-c2cccnc2)nc1C)S(C)(=O)=O ZINC000128335997 551348882 /nfs/dbraw/zinc/34/88/82/551348882.db2.gz MRWZQCZBJOABLY-CYBMUJFWSA-N 1 0 382.555 2.836 20 0 GFADRO C[C@H]1C[NH+](CC2CCN(C(=O)c3cccnc3Br)CC2)C[C@H](C)O1 ZINC000128318324 551348892 /nfs/dbraw/zinc/34/88/92/551348892.db2.gz SFDUMUUDGSRXRY-KBPBESRZSA-N 1 0 396.329 2.806 20 0 GFADRO CC[N@H+](C)CCNC(=O)NC1CCN(Cc2ccc(Br)cc2)CC1 ZINC000128900763 551353300 /nfs/dbraw/zinc/35/33/00/551353300.db2.gz DHRGIIMVJPLBJC-UHFFFAOYSA-N 1 0 397.361 2.664 20 0 GFADRO O=C(C[C@@H]1CC[NH2+]C1)N1CCC(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000128921882 551353863 /nfs/dbraw/zinc/35/38/63/551353863.db2.gz LDTUBAPVQFTJIA-ZDUSSCGKSA-N 1 0 394.313 2.626 20 0 GFADRO O=C(C[C@H]1CC[NH2+]C1)N1CCC(C(=O)Nc2ccccc2Br)CC1 ZINC000129011674 551354545 /nfs/dbraw/zinc/35/45/45/551354545.db2.gz LKNCCQQOOPUWNK-CYBMUJFWSA-N 1 0 394.313 2.626 20 0 GFADRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)Cc1cc(F)ccc1Br ZINC000129350844 551356448 /nfs/dbraw/zinc/35/64/48/551356448.db2.gz PWIQHRIGCXGUTD-HNNXBMFYSA-N 1 0 387.293 2.700 20 0 GFADRO C[C@@H]([NH2+]CC1CCN(S(C)(=O)=O)CC1)c1ccc(F)cc1OC(F)F ZINC000130278892 551362934 /nfs/dbraw/zinc/36/29/34/551362934.db2.gz SGAYFMFTLKVCHQ-LLVKDONJSA-N 1 0 380.432 2.749 20 0 GFADRO O=C(CCc1nc(-c2cc(Br)cs2)no1)NC[C@@H]1CCCC[NH2+]1 ZINC000130346189 551363771 /nfs/dbraw/zinc/36/37/71/551363771.db2.gz NURHWZSHPKFPPQ-NSHDSACASA-N 1 0 399.314 2.752 20 0 GFADRO C[C@@H]1C[N@@H+](C2CCN(C(=O)Cc3cc(Br)ccc3F)CC2)CCO1 ZINC000130411479 551364971 /nfs/dbraw/zinc/36/49/71/551364971.db2.gz ZQCMKHIRGPHQRB-CYBMUJFWSA-N 1 0 399.304 2.842 20 0 GFADRO COCC[C@@H](Cc1cccc(Br)c1)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000130678364 551367899 /nfs/dbraw/zinc/36/78/99/551367899.db2.gz MZWTZCMAOLZGCR-DOTOQJQBSA-N 1 0 383.330 2.903 20 0 GFADRO Cc1cccn2c(C[NH2+]C[C@H](O)COc3ccccc3Br)cnc12 ZINC000130957210 551370394 /nfs/dbraw/zinc/37/03/94/551370394.db2.gz VFSBWZPMITWVFC-HNNXBMFYSA-N 1 0 390.281 2.935 20 0 GFADRO COc1ccc(C[NH2+]C[C@H](O)COc2ccccc2Br)cc1OC ZINC000131018343 551370958 /nfs/dbraw/zinc/37/09/58/551370958.db2.gz SHFPRXRFYMCZIR-AWEZNQCLSA-N 1 0 396.281 2.996 20 0 GFADRO CC(C)[N@H+](C)Cc1cccc(CNC(=O)c2cc(S(C)(=O)=O)cs2)c1 ZINC000131265152 551373365 /nfs/dbraw/zinc/37/33/65/551373365.db2.gz DNODSGWREKFTQW-UHFFFAOYSA-N 1 0 380.535 2.922 20 0 GFADRO CCN(CC)S(=O)(=O)CC[NH2+][C@@H](C)c1ccc(Br)c(F)c1 ZINC000131491936 551374429 /nfs/dbraw/zinc/37/44/29/551374429.db2.gz OMBCXCDYADQUEE-NSHDSACASA-N 1 0 381.311 2.910 20 0 GFADRO C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)C1 ZINC000132856289 551379778 /nfs/dbraw/zinc/37/97/78/551379778.db2.gz MQBDOUXIROOIMV-BBRMVZONSA-N 1 0 384.307 2.808 20 0 GFADRO C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CCNC(=O)C(C)(C)C ZINC000133482075 551383243 /nfs/dbraw/zinc/38/32/43/551383243.db2.gz GIYLWHDFEDPWCI-LBPRGKRZSA-N 1 0 384.318 2.918 20 0 GFADRO CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)[C@H]1CCCC[NH2+]1 ZINC000150712115 551400615 /nfs/dbraw/zinc/40/06/15/551400615.db2.gz ZOBOWRUNFPJJBD-CYBMUJFWSA-N 1 0 377.794 2.898 20 0 GFADRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NCCOc1ncc(Cl)cc1Cl ZINC000150932741 551404216 /nfs/dbraw/zinc/40/42/16/551404216.db2.gz IXYHFVHZJYNWCG-FZMZJTMJSA-N 1 0 375.300 2.749 20 0 GFADRO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@H](C)[C@@H](C)N1CCOCC1 ZINC000150926552 551404459 /nfs/dbraw/zinc/40/44/59/551404459.db2.gz XCCCFFXYXKPYRP-RBSFLKMASA-N 1 0 398.345 2.865 20 0 GFADRO C[N@@H+]1CCC[C@H]2CN(C(=O)CNC(=O)c3ccc(Cl)cc3Cl)CC[C@@H]21 ZINC000150971758 551404936 /nfs/dbraw/zinc/40/49/36/551404936.db2.gz ZODOCGDXEXOFEV-LRDDRELGSA-N 1 0 384.307 2.666 20 0 GFADRO CC(=O)N[C@H](CC(=O)N(C)[C@@H]1CCC[N@H+](C)C1)c1ccc(Br)cc1 ZINC000151198172 551409005 /nfs/dbraw/zinc/40/90/05/551409005.db2.gz NHSOCOIBSORCIL-IAGOWNOFSA-N 1 0 396.329 2.569 20 0 GFADRO O=S(=O)(C1CC1)N1CCC([NH2+]Cc2csc(-c3cccs3)n2)CC1 ZINC000151275276 551410438 /nfs/dbraw/zinc/41/04/38/551410438.db2.gz NOLHUBBCYCFDIJ-UHFFFAOYSA-N 1 0 383.564 2.918 20 0 GFADRO O=S(=O)(C1CC1)N1CCC([NH2+]Cc2csc(-c3ccccc3)n2)CC1 ZINC000151266359 551410444 /nfs/dbraw/zinc/41/04/44/551410444.db2.gz XOGDIYGQXMZILD-UHFFFAOYSA-N 1 0 377.535 2.856 20 0 GFADRO O=S(=O)(C1CC1)N1CCC([NH2+]Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000151267094 551410467 /nfs/dbraw/zinc/41/04/67/551410467.db2.gz INJZDBVBISMJHZ-UHFFFAOYSA-N 1 0 378.416 2.631 20 0 GFADRO O=S(=O)(c1sccc1Br)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000151635650 551418851 /nfs/dbraw/zinc/41/88/51/551418851.db2.gz VUENAVVYDHVUBQ-NSHDSACASA-N 1 0 379.345 2.617 20 0 GFADRO Cc1cc(C)c(NC(=O)[C@@H](C)Sc2nnnn2CC[NH+](C)C)c(Cl)c1 ZINC000151662813 551419092 /nfs/dbraw/zinc/41/90/92/551419092.db2.gz FBYVDRUCTHTXRU-GFCCVEGCSA-N 1 0 382.921 2.624 20 0 GFADRO O=C(CCc1cccc(Br)c1)NCCCC[N@H+]1CCC[C@H]1CO ZINC000152177775 551428117 /nfs/dbraw/zinc/42/81/17/551428117.db2.gz JDQPAEHTKKPCOZ-KRWDZBQOSA-N 1 0 383.330 2.735 20 0 GFADRO C[N@H+](Cc1cc(=O)n2nccc2[nH]1)CC1(c2ccc(Br)cc2)CC1 ZINC000152601612 551436503 /nfs/dbraw/zinc/43/65/03/551436503.db2.gz FQWMCKGUCRYONW-UHFFFAOYSA-N 1 0 387.281 2.949 20 0 GFADRO C[C@@H]1C[C@H]([NH2+]CCCNC(=O)c2cccc(Br)c2)CN1C1CC1 ZINC000152687236 551437887 /nfs/dbraw/zinc/43/78/87/551437887.db2.gz RLDKLVJORZZCKV-CJNGLKHVSA-N 1 0 380.330 2.784 20 0 GFADRO CC(=O)N1CC[C@@H]([NH2+]Cc2c(C)nn(-c3ccc(Br)cc3)c2C)C1 ZINC000152848534 551440986 /nfs/dbraw/zinc/44/09/86/551440986.db2.gz PLTVEJVWCAZQFA-MRXNPFEDSA-N 1 0 391.313 2.962 20 0 GFADRO C[C@H]1CCC[N@@H+]1C1CCN(C(=O)c2cc(I)c[nH]2)CC1 ZINC000152884245 551441872 /nfs/dbraw/zinc/44/18/72/551441872.db2.gz YGJKVJHWXWIUOB-NSHDSACASA-N 1 0 387.265 2.708 20 0 GFADRO O=C(NCC1CC[NH+](CCO)CC1)Nc1ccc(Cl)cc1Br ZINC000152908767 551442634 /nfs/dbraw/zinc/44/26/34/551442634.db2.gz CUQLZDNRMLSVRF-UHFFFAOYSA-N 1 0 390.709 2.928 20 0 GFADRO C[C@H](NC(=O)N1CCC([N@H+](C)CCCO)CC1)c1ccccc1Br ZINC000152920698 551442684 /nfs/dbraw/zinc/44/26/84/551442684.db2.gz BELJVSKEFDERPG-AWEZNQCLSA-N 1 0 398.345 2.998 20 0 GFADRO O[C@H](COc1ccc(Cl)cc1Br)C[N@@H+]1CC[C@]2(CCOC2)C1 ZINC000153550028 551455490 /nfs/dbraw/zinc/45/54/90/551455490.db2.gz TXPQGNALVQXFNI-BBRMVZONSA-N 1 0 390.705 2.955 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)N1C[C@@H](C)[NH2+][C@H](C)C1 ZINC000153562233 551455638 /nfs/dbraw/zinc/45/56/38/551455638.db2.gz CBCIMPDTUGPQHY-RBSFLKMASA-N 1 0 384.567 2.560 20 0 GFADRO CSC[C@@](C)(O)C[NH2+][C@@H](C)CC(=O)Nc1cccc(Br)c1 ZINC000153620835 551457142 /nfs/dbraw/zinc/45/71/42/551457142.db2.gz WEAILVUDMUXEGS-NHYWBVRUSA-N 1 0 375.332 2.870 20 0 GFADRO C[C@@H]1CN(C(=O)c2ccc(I)c(Cl)c2)C[C@H](C)[NH2+]1 ZINC000154132040 551468308 /nfs/dbraw/zinc/46/83/08/551468308.db2.gz PEBIYFQFWHBKJU-DTORHVGOSA-N 1 0 378.641 2.767 20 0 GFADRO CC1CC[NH+](CCSc2nc3cc(S(=O)(=O)N(C)C)ccc3o2)CC1 ZINC000154211120 551469720 /nfs/dbraw/zinc/46/97/20/551469720.db2.gz KMZXYGPLJBBMIE-UHFFFAOYSA-N 1 0 383.539 2.902 20 0 GFADRO Cc1cc(C(=O)N2CC[C@H]([NH3+])C[C@@H]2C)nn1-c1ccc(Br)cc1 ZINC000154277236 551470953 /nfs/dbraw/zinc/47/09/53/551470953.db2.gz HXVRHEZSPWPWMT-FZMZJTMJSA-N 1 0 377.286 2.895 20 0 GFADRO CS[C@H](CO)[C@H](C)[NH2+][C@@H](C)CC(=O)Nc1ccc(Br)cc1 ZINC000154343916 551472670 /nfs/dbraw/zinc/47/26/70/551472670.db2.gz KDFFOZINAFAAHG-COPLHBTASA-N 1 0 375.332 2.868 20 0 GFADRO C[C@H](CNS(=O)(=O)c1ccc(Br)cc1F)C[NH+]1CCCC1 ZINC000154526225 551477106 /nfs/dbraw/zinc/47/71/06/551477106.db2.gz ANBXQESSXSILPP-LLVKDONJSA-N 1 0 379.295 2.598 20 0 GFADRO C[C@@](C[NH3+])(NC(=O)c1ccc(I)c(Cl)c1)C1CC1 ZINC000154965100 551487132 /nfs/dbraw/zinc/48/71/32/551487132.db2.gz GGAYFCKDIZGBCF-ZDUSSCGKSA-N 1 0 378.641 2.802 20 0 GFADRO Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)CN(C)[C@@H]1CCSC1 ZINC000155187681 551494115 /nfs/dbraw/zinc/49/41/15/551494115.db2.gz HMMCEQZAEWZPRA-QGZVFWFLSA-N 1 0 379.595 2.920 20 0 GFADRO O[C@@H](COc1ccc(Cl)cc1Cl)C[NH+]1CCC(Cn2ccnn2)CC1 ZINC000155900169 551510522 /nfs/dbraw/zinc/51/05/22/551510522.db2.gz MXHXLTSYPBVDSZ-OAHLLOKOSA-N 1 0 385.295 2.737 20 0 GFADRO C[NH+](C)C1(CNC(=O)c2c[nH]c3cccc(Br)c23)CCOCC1 ZINC000155942813 551511374 /nfs/dbraw/zinc/51/13/74/551511374.db2.gz DJKRHLFVOOCDRW-UHFFFAOYSA-N 1 0 380.286 2.771 20 0 GFADRO CC[NH+](CC)[C@H]1CCN(S(=O)(=O)c2cccc(C)c2Br)C1 ZINC000156468165 551523505 /nfs/dbraw/zinc/52/35/05/551523505.db2.gz NIWOWAJYYGHUNK-ZDUSSCGKSA-N 1 0 375.332 2.862 20 0 GFADRO CC(=O)N1CC[C@@H](C[N@@H+](C)[C@H](C)C(=O)Nc2ccc(C)cc2Br)C1 ZINC000156508786 551524126 /nfs/dbraw/zinc/52/41/26/551524126.db2.gz PQDGLIRUHPSSQA-HIFRSBDPSA-N 1 0 396.329 2.885 20 0 GFADRO C[C@H]1CCCN(C(=O)c2ccc(F)cc2I)[C@@H]1C[NH3+] ZINC000156952939 551531717 /nfs/dbraw/zinc/53/17/17/551531717.db2.gz LAVXCFPTBCSHOE-TVQRCGJNSA-N 1 0 376.213 2.630 20 0 GFADRO O=S1(=O)CC[C@@H](N(CC2=Cc3cc(Br)ccc3OC2)C2CC2)C1 ZINC000157072111 551532763 /nfs/dbraw/zinc/53/27/63/551532763.db2.gz CSOHNDSNVRIDOE-MRXNPFEDSA-N 1 0 398.322 2.876 20 0 GFADRO CCS(=O)(=O)C[C@@H](C)[NH2+]CCCc1ccc(Br)cc1OC ZINC000157164861 551534616 /nfs/dbraw/zinc/53/46/16/551534616.db2.gz QTGVQHVMXLAAEB-GFCCVEGCSA-N 1 0 378.332 2.803 20 0 GFADRO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NCc1cc(Br)ccc1F ZINC000157230726 551535603 /nfs/dbraw/zinc/53/56/03/551535603.db2.gz YDPGCQICXPHHEC-MRXNPFEDSA-N 1 0 387.293 2.998 20 0 GFADRO CCc1ccc(C[NH2+]C2CCN(S(=O)(=O)c3c(C)n[nH]c3C)CC2)s1 ZINC000157590380 551539805 /nfs/dbraw/zinc/53/98/05/551539805.db2.gz LTDCQLVRBGIJCR-UHFFFAOYSA-N 1 0 382.555 2.593 20 0 GFADRO C[C@@H](NC(=O)CCCCOc1ccc(Br)cc1)[C@@H]1CN(C)CCO1 ZINC000157961282 551544920 /nfs/dbraw/zinc/54/49/20/551544920.db2.gz NNEWJMMALXKACG-PBHICJAKSA-N 1 0 399.329 2.834 20 0 GFADRO C[NH+](C)CC1CCC(NC(=O)C(=O)Nc2ccc(Br)cc2)CC1 ZINC000158185657 551547754 /nfs/dbraw/zinc/54/77/54/551547754.db2.gz XEUFRXVCUDAMFU-UHFFFAOYSA-N 1 0 382.302 2.624 20 0 GFADRO CN(CC[NH2+]Cc1ccccc1OC(F)F)S(=O)(=O)c1cccs1 ZINC000158354453 551550443 /nfs/dbraw/zinc/55/04/43/551550443.db2.gz IVVONJYYVFUYHZ-UHFFFAOYSA-N 1 0 376.450 2.760 20 0 GFADRO CCC[NH+]1CCC(N(C)S(=O)(=O)c2ccc(Cl)cc2C(=O)OC)CC1 ZINC000158750070 551556279 /nfs/dbraw/zinc/55/62/79/551556279.db2.gz IWIWREHGFFWTLV-UHFFFAOYSA-N 1 0 388.917 2.622 20 0 GFADRO C[NH+](C)C[C@@](C)(O)CNC(=O)c1cc(Br)cc(C(F)(F)F)c1 ZINC000161529511 551595618 /nfs/dbraw/zinc/59/56/18/551595618.db2.gz KUBPFNGMKQYOAO-ZDUSSCGKSA-N 1 0 383.208 2.510 20 0 GFADRO Cn1nc(Br)c2c1ncnc2N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000161878641 551600079 /nfs/dbraw/zinc/60/00/79/551600079.db2.gz SJXQZHPPHASCSK-YPMHNXCESA-N 1 0 391.317 2.579 20 0 GFADRO Cc1cc(N2CCC([NH2+][C@@H](C)Cn3cc(Br)cn3)CC2)nc(C)n1 ZINC000162269895 551606121 /nfs/dbraw/zinc/60/61/21/551606121.db2.gz BVVIQJWBTOXIOC-ZDUSSCGKSA-N 1 0 393.333 2.700 20 0 GFADRO O=S(=O)(c1cc(F)c(Br)cc1F)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000162435542 551608463 /nfs/dbraw/zinc/60/84/63/551608463.db2.gz ASICLPQWAFWODX-SNVBAGLBSA-N 1 0 395.269 2.586 20 0 GFADRO Cc1nc(NC(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)ccc1Br ZINC000162535466 551609083 /nfs/dbraw/zinc/60/90/83/551609083.db2.gz COQOULWILNGTBV-CQSZACIVSA-N 1 0 397.317 2.729 20 0 GFADRO COCCC[NH+]1CCC(NC(=O)c2cc(Br)ccc2OC)CC1 ZINC000163184902 551617364 /nfs/dbraw/zinc/61/73/64/551617364.db2.gz CWFIRVIIHZPPQN-UHFFFAOYSA-N 1 0 385.302 2.688 20 0 GFADRO O=S(=O)(Cc1cccc(C(F)(F)F)c1)NC1CC[NH+](CC2CC2)CC1 ZINC000170665976 551637497 /nfs/dbraw/zinc/63/74/97/551637497.db2.gz OWLJMSLTPHLRQR-UHFFFAOYSA-N 1 0 376.444 2.999 20 0 GFADRO CC(C)Oc1ccccc1C[NH2+]CC1CCN(S(=O)(=O)C(F)F)CC1 ZINC000171842189 551665063 /nfs/dbraw/zinc/66/50/63/551665063.db2.gz CCIWNBZMIPMHMZ-UHFFFAOYSA-N 1 0 376.469 2.828 20 0 GFADRO O=C(Nc1ccccc1Br)C(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000172648853 551684309 /nfs/dbraw/zinc/68/43/09/551684309.db2.gz XANPOLKAHBQIPM-UHFFFAOYSA-N 1 0 394.313 2.865 20 0 GFADRO CN(C)c1ncc(Br)cc1C(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000172707720 551685251 /nfs/dbraw/zinc/68/52/51/551685251.db2.gz XVVPAMSCONQBPD-AWEZNQCLSA-N 1 0 395.345 2.858 20 0 GFADRO O=S(=O)(NC[C@@H]1CC[N@@H+](C2CC2)C1)c1cc(Br)ccc1Cl ZINC000173023256 551692453 /nfs/dbraw/zinc/69/24/53/551692453.db2.gz GLADPRZVWXVTHH-JTQLQIEISA-N 1 0 393.734 2.865 20 0 GFADRO C[C@@H](Oc1cccc(Br)c1)C(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000173010871 551692772 /nfs/dbraw/zinc/69/27/72/551692772.db2.gz MUTPIHBDXIRHMO-RBSFLKMASA-N 1 0 399.329 2.832 20 0 GFADRO O=C(Nc1cccc(F)c1I)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000415367278 563771395 /nfs/dbraw/zinc/77/13/95/563771395.db2.gz YCVUFELXPQKNDI-CQSZACIVSA-N 1 0 389.212 2.648 20 0 GFADRO O=C(C[NH2+][C@H]1CCO[C@@H]1C1CC1)Nc1c(F)cc(F)cc1Br ZINC000365198259 563777112 /nfs/dbraw/zinc/77/71/12/563777112.db2.gz FDSLCJZFYSBPKQ-SWLSCSKDSA-N 1 0 375.213 2.823 20 0 GFADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)c2c[nH]c(=O)c(Br)c2)C1 ZINC000173108484 552078304 /nfs/dbraw/zinc/07/83/04/552078304.db2.gz KWQPUYAGPHZFHU-BETUJISGSA-N 1 0 384.318 2.625 20 0 GFADRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)S(=O)(=O)c1ccc(F)c(Br)c1 ZINC000173204025 552079402 /nfs/dbraw/zinc/07/94/02/552079402.db2.gz HRDWEILCDDDTRT-HZMBPMFUSA-N 1 0 379.295 2.549 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2cccc(OC(F)(F)F)c2)[C@H](C)C1 ZINC000173258256 552081365 /nfs/dbraw/zinc/08/13/65/552081365.db2.gz ZLYHUPMUXGUABY-IUODEOHRSA-N 1 0 380.432 2.936 20 0 GFADRO CC[NH+](CC)C[C@H]1CCN(C(=O)C(=O)Nc2ccc(Br)cc2)C1 ZINC000173609475 552088725 /nfs/dbraw/zinc/08/87/25/552088725.db2.gz BXKPCZZUHPQPLE-CYBMUJFWSA-N 1 0 382.302 2.578 20 0 GFADRO O=S(=O)(c1ccc(Br)cc1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000173628941 552089158 /nfs/dbraw/zinc/08/91/58/552089158.db2.gz ILQICKJLHVLPSA-CQSZACIVSA-N 1 0 387.343 2.946 20 0 GFADRO CC[NH+](CC)C[C@H]1CCN(C(=O)C(=O)Nc2cccc(Br)c2C)C1 ZINC000173613745 552089320 /nfs/dbraw/zinc/08/93/20/552089320.db2.gz NVJXDLYOHKMFII-CQSZACIVSA-N 1 0 396.329 2.886 20 0 GFADRO CCN1CCN(C(=O)[C@H](C)[NH2+][C@@H](C)c2ccc(OC)c(Br)c2)CC1 ZINC000173654520 552090243 /nfs/dbraw/zinc/09/02/43/552090243.db2.gz VOFDTGRCKJWVLU-KBPBESRZSA-N 1 0 398.345 2.661 20 0 GFADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc3c(c(Br)c2)OCO3)C1 ZINC000173803839 552092168 /nfs/dbraw/zinc/09/21/68/552092168.db2.gz ALQFVBXVVLJAEL-LBPRGKRZSA-N 1 0 383.286 2.982 20 0 GFADRO O=S(=O)(c1ccc(F)cc1Cl)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000173853748 552094201 /nfs/dbraw/zinc/09/42/01/552094201.db2.gz IAKOGFIHSVPFLJ-UHFFFAOYSA-N 1 0 390.908 2.745 20 0 GFADRO COCCOC[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2cccc(Br)c2)C1 ZINC000174120391 552099477 /nfs/dbraw/zinc/09/94/77/552099477.db2.gz OFHBULZMSJAGBQ-KBPBESRZSA-N 1 0 385.302 2.761 20 0 GFADRO COCCOC[C@H]1CC[N@H+](Cc2nnc(-c3ccccc3Br)o2)C1 ZINC000174114051 552099790 /nfs/dbraw/zinc/09/97/90/552099790.db2.gz CRVBNZOWZUPMNS-ZDUSSCGKSA-N 1 0 396.285 2.984 20 0 GFADRO C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000174185850 552101996 /nfs/dbraw/zinc/10/19/96/552101996.db2.gz DRPOZPRPQSTITR-KBPBESRZSA-N 1 0 387.307 2.941 20 0 GFADRO O=C(c1cc2ccc(Br)cc2[nH]1)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000174203800 552102535 /nfs/dbraw/zinc/10/25/35/552102535.db2.gz QJTKRLZWDKBYAY-ZDUSSCGKSA-N 1 0 392.297 2.725 20 0 GFADRO C[C@@H]1C[C@H](N(C)C(=O)NCCOc2ccc(Br)cc2)CC[N@@H+]1C ZINC000174411299 552103394 /nfs/dbraw/zinc/10/33/94/552103394.db2.gz HSMMOIBRRRYASS-UKRRQHHQSA-N 1 0 384.318 2.952 20 0 GFADRO O=C(NCc1ccccc1C[NH+]1CCC(O)CC1)c1ccc(Br)o1 ZINC000174499120 552105735 /nfs/dbraw/zinc/10/57/35/552105735.db2.gz XSTFKCKUQSYOQE-UHFFFAOYSA-N 1 0 393.281 2.929 20 0 GFADRO CC(C)[N@H+]1[C@@H]2CC[C@H]1CCN(C(=O)c1cc(S(C)(=O)=O)ccc1Cl)C2 ZINC000174968243 552113250 /nfs/dbraw/zinc/11/32/50/552113250.db2.gz IRWBWCQLRAXSTR-UONOGXRCSA-N 1 0 384.929 2.831 20 0 GFADRO C[NH+](C)[C@H]1CCC[C@@H](NS(=O)(=O)c2ccc(Br)c(F)c2)C1 ZINC000175090571 552115825 /nfs/dbraw/zinc/11/58/25/552115825.db2.gz KCCVFEITMMIFIX-MNOVXSKESA-N 1 0 379.295 2.739 20 0 GFADRO O=C(NCCc1c(Cl)cccc1Cl)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000175961774 552133367 /nfs/dbraw/zinc/13/33/67/552133367.db2.gz YQGFDOWQKDOTOQ-CQSZACIVSA-N 1 0 386.323 2.900 20 0 GFADRO C[NH+]1CCN([C@H]2CCCCN(C(=O)[C@H]3SCCc4sccc43)C2)CC1 ZINC000175999666 552133840 /nfs/dbraw/zinc/13/38/40/552133840.db2.gz QELUXFLBGKPIKW-YJBOKZPZSA-N 1 0 379.595 2.707 20 0 GFADRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NCCOc1cccc(Br)c1 ZINC000176051243 552134724 /nfs/dbraw/zinc/13/47/24/552134724.db2.gz YJDFKQWZBFPNIU-BBRMVZONSA-N 1 0 384.318 2.810 20 0 GFADRO O=C(Nc1cc(Br)ccc1F)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000176996702 552148949 /nfs/dbraw/zinc/14/89/49/552148949.db2.gz LZJYTYZSZHJCMJ-GFCCVEGCSA-N 1 0 386.265 2.774 20 0 GFADRO C[C@H]([NH3+])c1ccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccs2)cc1 ZINC000178188879 552167054 /nfs/dbraw/zinc/16/70/54/552167054.db2.gz JRZOFDWLDKSEOJ-WFASDCNBSA-N 1 0 379.507 2.560 20 0 GFADRO Cc1ccsc1[C@@H](C)[NH2+]Cc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000178347603 552169508 /nfs/dbraw/zinc/16/95/08/552169508.db2.gz MOYZQHNFYQYSPL-OAHLLOKOSA-N 1 0 380.535 2.928 20 0 GFADRO COc1cc(Br)c(CN2CC[NH+](C[C@H]3CCOC3)CC2)cc1OC ZINC000178489428 552171328 /nfs/dbraw/zinc/17/13/28/552171328.db2.gz SYFPOLNHELRWJZ-CQSZACIVSA-N 1 0 399.329 2.620 20 0 GFADRO CCCC[NH+]1CCC(NS(=O)(=O)c2cc(Cl)ccc2C(=O)OC)CC1 ZINC000178525440 552172212 /nfs/dbraw/zinc/17/22/12/552172212.db2.gz TZCWFPJKZFKUQP-UHFFFAOYSA-N 1 0 388.917 2.669 20 0 GFADRO C[C@@H](CC(=O)N1CCN(c2ccc(Br)cn2)CC1)C1CC[NH2+]CC1 ZINC000178694863 552173976 /nfs/dbraw/zinc/17/39/76/552173976.db2.gz PWBXFRZYALRZJG-AWEZNQCLSA-N 1 0 395.345 2.519 20 0 GFADRO CCCOc1c(Br)cc(C(=O)N2CC[C@@H](C[NH2+]C)C2)cc1OC ZINC000178986864 552181143 /nfs/dbraw/zinc/18/11/43/552181143.db2.gz VOHSDCHHOFAEEL-LBPRGKRZSA-N 1 0 385.302 2.928 20 0 GFADRO Cc1ccc(C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)c(Br)c1 ZINC000179104763 552184431 /nfs/dbraw/zinc/18/44/31/552184431.db2.gz JSFJJEKXDLABMK-AWEZNQCLSA-N 1 0 381.314 2.988 20 0 GFADRO C[NH2+]C1CCN(C(=O)CCC[S@@](=O)c2ccc(Br)cc2)CC1 ZINC000179143513 552184898 /nfs/dbraw/zinc/18/48/98/552184898.db2.gz WXAKIGKSESRRSI-JOCHJYFZSA-N 1 0 387.343 2.547 20 0 GFADRO C[C@@H](C[NH3+])N(C)C(=O)c1nn(-c2ccc(Br)cc2)c2c1CCCC2 ZINC000179187785 552186904 /nfs/dbraw/zinc/18/69/04/552186904.db2.gz FSEXKIVFGRRTLI-LBPRGKRZSA-N 1 0 391.313 2.933 20 0 GFADRO CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H](C)c2ncc(Br)s2)CC1 ZINC000179224833 552187350 /nfs/dbraw/zinc/18/73/50/552187350.db2.gz PDKGHRZURAIJIE-QWHCGFSZSA-N 1 0 375.380 2.830 20 0 GFADRO C[N@H+](CCCO)C1CCN(C(=O)c2cc(-c3ccc(Cl)s3)on2)CC1 ZINC000179766216 552202649 /nfs/dbraw/zinc/20/26/49/552202649.db2.gz KDZKXVMCVIJLHV-UHFFFAOYSA-N 1 0 383.901 2.975 20 0 GFADRO C[C@H](C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1)c1ccc(Br)cc1 ZINC000179878209 552206104 /nfs/dbraw/zinc/20/61/04/552206104.db2.gz JTVHGTGCJHAXBH-LSDHHAIUSA-N 1 0 381.314 2.733 20 0 GFADRO C[N@H+](CCN1CCOCC1)Cc1ccc(OC(F)F)c(Br)c1 ZINC000180023812 552210300 /nfs/dbraw/zinc/21/03/00/552210300.db2.gz OGZLWFMRRVAWSQ-UHFFFAOYSA-N 1 0 379.245 2.815 20 0 GFADRO O=C(C[C@@H](O)c1cc(Cl)cc(Cl)c1)N1CC[NH+](C2CCOCC2)CC1 ZINC000180122670 552213985 /nfs/dbraw/zinc/21/39/85/552213985.db2.gz AEFFYVIKWNGFKV-QGZVFWFLSA-N 1 0 387.307 2.740 20 0 GFADRO CC(C)[C@@H]([NH2+][C@H]1CCc2c1cccc2Br)C(=O)N1CCOCC1 ZINC000180146865 552214959 /nfs/dbraw/zinc/21/49/59/552214959.db2.gz OTPXJFKHVXZPSL-DLBZAZTESA-N 1 0 381.314 2.909 20 0 GFADRO Cn1cc(Br)cc1C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000180222180 552218121 /nfs/dbraw/zinc/21/81/21/552218121.db2.gz ZDIRLZWFPXTXLJ-UHFFFAOYSA-N 1 0 377.286 2.829 20 0 GFADRO COCC[N@H+](C)CCNC(=O)c1cc(C)n(-c2ccc(Cl)c(Cl)c2)n1 ZINC000180231574 552218363 /nfs/dbraw/zinc/21/83/63/552218363.db2.gz HVXICIUZIMUDRX-UHFFFAOYSA-N 1 0 385.295 2.796 20 0 GFADRO Cn1cc(Br)c(=O)c(NC(=O)c2cccc(C[NH+]3CCCC3)c2)c1 ZINC000180295474 552221316 /nfs/dbraw/zinc/22/13/16/552221316.db2.gz OZGWLOKANGJWDF-UHFFFAOYSA-N 1 0 390.281 2.996 20 0 GFADRO Cc1ccc(NC(=O)C(=O)N2CCC([NH2+]C(C)C)CC2)c(Br)c1 ZINC000180360873 552223971 /nfs/dbraw/zinc/22/39/71/552223971.db2.gz BRWIHPGFSHAIRZ-UHFFFAOYSA-N 1 0 382.302 2.685 20 0 GFADRO CC(C)[NH2+]C1CCN(C(=O)C(=O)Nc2ccc(F)c(Br)c2)CC1 ZINC000180356698 552224149 /nfs/dbraw/zinc/22/41/49/552224149.db2.gz ZWHPNSGMBCNDIH-UHFFFAOYSA-N 1 0 386.265 2.516 20 0 GFADRO CC(C)NS(=O)(=O)CC[NH2+][C@@H]1C[C@@H](C)c2c1cccc2Br ZINC000180464366 552226736 /nfs/dbraw/zinc/22/67/36/552226736.db2.gz WRBWHISXVVKYGK-BXUZGUMPSA-N 1 0 375.332 2.915 20 0 GFADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CNc2c(F)cc(Cl)cc2F)C1 ZINC000180596715 552230547 /nfs/dbraw/zinc/23/05/47/552230547.db2.gz AXPQHPKWRONMMR-ZDUSSCGKSA-N 1 0 375.847 2.503 20 0 GFADRO Cc1ccc(C[N@@H+](C)C2CCN(S(C)(=O)=O)CC2)cc1Br ZINC000180628417 552231864 /nfs/dbraw/zinc/23/18/64/552231864.db2.gz YERMRINHSGPSCI-UHFFFAOYSA-N 1 0 375.332 2.613 20 0 GFADRO C[C@H]([NH2+][C@@H]1CC(=O)N(CCN2CCOCC2)C1)c1ccc(Cl)cc1Cl ZINC000181033022 552243791 /nfs/dbraw/zinc/24/37/91/552243791.db2.gz QJTKCVKBQGSASP-DZGCQCFKSA-N 1 0 386.323 2.577 20 0 GFADRO Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)[NH2+]CCOCCS(C)(=O)=O ZINC000181146406 552248309 /nfs/dbraw/zinc/24/83/09/552248309.db2.gz HPGMFSPBDNYWEI-LBPRGKRZSA-N 1 0 386.514 2.969 20 0 GFADRO C[C@@H]([NH2+]CCOc1ccc(Cl)cn1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000181323132 552253330 /nfs/dbraw/zinc/25/33/30/552253330.db2.gz FKXGHONHDDCZPZ-CYBMUJFWSA-N 1 0 383.901 2.715 20 0 GFADRO CC[C@@H]([NH2+]C1CCN(CC(=O)NC)CC1)c1cc(F)cc(Br)c1 ZINC000181478909 552257772 /nfs/dbraw/zinc/25/77/72/552257772.db2.gz APKKJCWDVTTWTF-MRXNPFEDSA-N 1 0 386.309 2.839 20 0 GFADRO Cc1cc(Br)ccc1CC(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1 ZINC000181586986 552261624 /nfs/dbraw/zinc/26/16/24/552261624.db2.gz VMCBKZSLOHJLNO-KRWDZBQOSA-N 1 0 383.330 2.869 20 0 GFADRO COc1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@@H](O)CS(=O)(=O)c1cccs1 ZINC000181635393 552263519 /nfs/dbraw/zinc/26/35/19/552263519.db2.gz UPMROXXUONJELT-PBHICJAKSA-N 1 0 381.519 2.559 20 0 GFADRO O=S(=O)(C[C@H](O)C[NH2+][C@@H]1CCSc2ccc(F)cc21)c1cccs1 ZINC000181641719 552263607 /nfs/dbraw/zinc/26/36/07/552263607.db2.gz CELLTRQFYSNRMS-TZMCWYRMSA-N 1 0 387.523 2.849 20 0 GFADRO COC(=O)c1cc(NC(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)ccc1Br ZINC000182627064 552289025 /nfs/dbraw/zinc/28/90/25/552289025.db2.gz NMCKKTOSBTZSFV-DGCLKSJQSA-N 1 0 396.285 2.936 20 0 GFADRO CCOC(=O)c1ccc(C[NH2+]C[C@H](O)COc2ccccc2Br)o1 ZINC000182650058 552290228 /nfs/dbraw/zinc/29/02/28/552290228.db2.gz OADPZKALXPMXSX-LBPRGKRZSA-N 1 0 398.253 2.748 20 0 GFADRO COC(=O)c1cc(C[NH2+]C[C@H](O)COc2ccccc2Br)oc1C ZINC000182650163 552290332 /nfs/dbraw/zinc/29/03/32/552290332.db2.gz PCVGAZQZTZVVGY-LBPRGKRZSA-N 1 0 398.253 2.667 20 0 GFADRO Cc1cc([C@H](C)[NH2+][C@H](C)C(=O)Nc2cccc(S(N)(=O)=O)c2)c(C)s1 ZINC000182983319 552298079 /nfs/dbraw/zinc/29/80/79/552298079.db2.gz SYZOHHPETHGCBO-NWDGAFQWSA-N 1 0 381.523 2.690 20 0 GFADRO O=C(NCCCC[NH+]1CCOCC1)c1cccc(Br)c1Cl ZINC000183277069 552305255 /nfs/dbraw/zinc/30/52/55/552305255.db2.gz IHIYLTYHYHTUKT-UHFFFAOYSA-N 1 0 375.694 2.945 20 0 GFADRO Cc1c(Br)cccc1NC(=O)C(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000183349169 552306640 /nfs/dbraw/zinc/30/66/40/552306640.db2.gz DQMMHWUMUFNRKE-UHFFFAOYSA-N 1 0 396.329 2.934 20 0 GFADRO Cc1c([C@@H](C)[NH2+]CC(=O)Nc2ccccc2I)cnn1C ZINC000183362403 552307153 /nfs/dbraw/zinc/30/71/53/552307153.db2.gz INOPDSBUHBACGY-SNVBAGLBSA-N 1 0 398.248 2.622 20 0 GFADRO CC[C@@H](CO)[NH+]1CCN([C@H](C(=O)OC)c2cccc(Cl)c2Cl)CC1 ZINC000183597356 552313909 /nfs/dbraw/zinc/31/39/09/552313909.db2.gz IHKLAOZFSKKHJI-LRDDRELGSA-N 1 0 375.296 2.596 20 0 GFADRO CCN(C(=O)C[NH2+][C@@H](C)c1cc2ccccc2s1)[C@H]1CCS(=O)(=O)C1 ZINC000184378090 552334291 /nfs/dbraw/zinc/33/42/91/552334291.db2.gz LGMVDWRVWMRXMS-ZFWWWQNUSA-N 1 0 380.535 2.588 20 0 GFADRO Cc1ccc(NC(=O)[C@@H](C)[NH2+][C@H]2CCCC[C@@H]2C(N)=O)c(Br)c1 ZINC000184812361 552344658 /nfs/dbraw/zinc/34/46/58/552344658.db2.gz PWDKKXFYYOXDBD-DYEKYZERSA-N 1 0 382.302 2.718 20 0 GFADRO NC(=O)[C@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1ccc(Br)cc1Cl ZINC000184803372 552344872 /nfs/dbraw/zinc/34/48/72/552344872.db2.gz WMOVBAADCUFTSD-JQWIXIFHSA-N 1 0 388.693 2.675 20 0 GFADRO Cc1cc(Br)c(F)cc1NC(=O)N1CC[N@@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000184831657 552345177 /nfs/dbraw/zinc/34/51/77/552345177.db2.gz NGGHIJXKALFGFZ-VXGBXAGGSA-N 1 0 388.281 2.815 20 0 GFADRO Cc1c(Br)scc1C(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000184830167 552345305 /nfs/dbraw/zinc/34/53/05/552345305.db2.gz ZQMBIRQZWUTGOH-LBPRGKRZSA-N 1 0 375.332 2.906 20 0 GFADRO C[NH+](C)CCNS(=O)(=O)c1cc(Br)c(Cl)cc1Cl ZINC000184841568 552345821 /nfs/dbraw/zinc/34/58/21/552345821.db2.gz OMUSEKYLCNDATK-UHFFFAOYSA-N 1 0 376.103 2.596 20 0 GFADRO C[NH+](C)CCOc1ccc(CNC(=O)c2ccc(Br)cc2N)cc1 ZINC000185246725 552358215 /nfs/dbraw/zinc/35/82/15/552358215.db2.gz QCGHVLVIKSZBPD-UHFFFAOYSA-N 1 0 392.297 2.902 20 0 GFADRO CCCOC[C@H](Cc1cccc(Br)c1)NC(=O)NCC[NH+](C)C ZINC000185889696 552373509 /nfs/dbraw/zinc/37/35/09/552373509.db2.gz DYRIHJVBNVASTD-INIZCTEOSA-N 1 0 386.334 2.648 20 0 GFADRO CCCOC[C@@H](Cc1cccc(Br)c1)NC(=O)NCC[NH+](C)C ZINC000185889676 552373528 /nfs/dbraw/zinc/37/35/28/552373528.db2.gz DYRIHJVBNVASTD-MRXNPFEDSA-N 1 0 386.334 2.648 20 0 GFADRO C[NH+](C)CC1(CNC(=O)c2cncc(I)c2)CCCC1 ZINC000185904860 552373671 /nfs/dbraw/zinc/37/36/71/552373671.db2.gz VVZWXJLWUOICHR-UHFFFAOYSA-N 1 0 387.265 2.538 20 0 GFADRO O=C(CC[NH+]1CCC(Cn2cncn2)CC1)Nc1ccc(Br)cc1 ZINC000186214727 552382253 /nfs/dbraw/zinc/38/22/53/552382253.db2.gz WROSJCJSPWNIKM-UHFFFAOYSA-N 1 0 392.301 2.781 20 0 GFADRO O=C(NCC1=CC[NH2+]CC1)[C@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 ZINC000186359320 552385827 /nfs/dbraw/zinc/38/58/27/552385827.db2.gz WHCNKEGMRGOGJW-MRXNPFEDSA-N 1 0 382.291 2.634 20 0 GFADRO COc1cc(C(=O)N(C[C@H]2CCC[NH2+]2)C2CC2)cc(OC)c1Br ZINC000186488427 552389300 /nfs/dbraw/zinc/38/93/00/552389300.db2.gz HERQRXDCXPEBNO-GFCCVEGCSA-N 1 0 383.286 2.823 20 0 GFADRO C[C@@H](C[NH+]1CCCCCC1)NC(=O)C(=O)Nc1ccc(Br)cc1 ZINC000186649568 552393527 /nfs/dbraw/zinc/39/35/27/552393527.db2.gz HYEKIUGEYSSFEQ-ZDUSSCGKSA-N 1 0 382.302 2.768 20 0 GFADRO CN(CC[N@H+](C)C1CC1)C(=O)[C@H]1CCN(c2cc(Cl)ccc2Cl)C1=O ZINC000186744001 552396698 /nfs/dbraw/zinc/39/66/98/552396698.db2.gz OBXPVDIIRAHRIN-CQSZACIVSA-N 1 0 384.307 2.899 20 0 GFADRO CSCCCCC[NH2+][C@H](C)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000186771517 552397402 /nfs/dbraw/zinc/39/74/02/552397402.db2.gz LLEIIUURHSMLHU-MRXNPFEDSA-N 1 0 386.583 2.891 20 0 GFADRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1 ZINC000186828734 552399026 /nfs/dbraw/zinc/39/90/26/552399026.db2.gz BUFCQEMDWUDAFK-CJNGLKHVSA-N 1 0 384.929 2.541 20 0 GFADRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)c1ccc(I)c(Cl)c1 ZINC000186877012 552400285 /nfs/dbraw/zinc/40/02/85/552400285.db2.gz KJONIBYCUAZUOL-UFBFGSQYSA-N 1 0 378.641 2.672 20 0 GFADRO CNS(=O)(=O)CC[NH2+][C@H]1CCCc2nc(-c3ccc(Cl)cc3)sc21 ZINC000187201615 552409439 /nfs/dbraw/zinc/40/94/39/552409439.db2.gz HIUSJOPLANDKJD-ZDUSSCGKSA-N 1 0 385.942 2.980 20 0 GFADRO CCO[C@@H]1C[C@@]([NH3+])(C(=O)N(C)CCc2ccc(Br)cc2)C1(C)C ZINC000187653479 552421333 /nfs/dbraw/zinc/42/13/33/552421333.db2.gz BYIKXXWPVMZPPQ-CRAIPNDOSA-N 1 0 383.330 2.983 20 0 GFADRO Cc1ccc(Br)cc1CNC(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000187653720 552421417 /nfs/dbraw/zinc/42/14/17/552421417.db2.gz QTXJADXOCDJJPG-OAHLLOKOSA-N 1 0 396.329 2.621 20 0 GFADRO CSc1ccccc1S(=O)(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000187709518 552422676 /nfs/dbraw/zinc/42/26/76/552422676.db2.gz YWJCMFSYWWSWRA-UHFFFAOYSA-N 1 0 377.535 2.998 20 0 GFADRO CN(CC[N@H+](C)C1CC1)C(=O)C(=O)Nc1ccc(Cl)cc1Br ZINC000187734864 552423366 /nfs/dbraw/zinc/42/33/66/552423366.db2.gz FAUHJDPRJGORCN-UHFFFAOYSA-N 1 0 388.693 2.594 20 0 GFADRO CCCCOCCN(C(=O)[C@H]1C[NH2+]CCO1)c1cccc(Br)c1 ZINC000187817084 552424929 /nfs/dbraw/zinc/42/49/29/552424929.db2.gz CIUFMIZLOAMDCP-MRXNPFEDSA-N 1 0 385.302 2.587 20 0 GFADRO CCO[C@H]1C[C@]([NH3+])(C(=O)NC[C@H](O)c2cc(Cl)cc(Cl)c2)C1(C)C ZINC000187811190 552425025 /nfs/dbraw/zinc/42/50/25/552425025.db2.gz LSDNQKZGBNKVPU-ZQIUZPCESA-N 1 0 375.296 2.676 20 0 GFADRO C[C@@H]1CCCC[N@H+](CC(=O)NCC(=O)Nc2ccccc2Br)C1 ZINC000187907361 552427764 /nfs/dbraw/zinc/42/77/64/552427764.db2.gz UCADHLMXJNNGBO-CYBMUJFWSA-N 1 0 382.302 2.626 20 0 GFADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)Cc2ccc(F)cc2Br)C1 ZINC000188018921 552431527 /nfs/dbraw/zinc/43/15/27/552431527.db2.gz KARINSKBXXFPBJ-HNNXBMFYSA-N 1 0 387.293 2.604 20 0 GFADRO C[C@@H]1C[C@@H](N(C)C(=O)c2cc(I)ccc2O)CC[N@@H+]1C ZINC000188042302 552432261 /nfs/dbraw/zinc/43/22/61/552432261.db2.gz KTUZVQUXJZGKMM-PWSUYJOCSA-N 1 0 388.249 2.552 20 0 GFADRO CCS(=O)(=O)N(C)CCC[NH2+][C@H](C)Cc1ccc(Br)cc1 ZINC000188124567 552435935 /nfs/dbraw/zinc/43/59/35/552435935.db2.gz KZYZGCHJAJOJPH-CYBMUJFWSA-N 1 0 377.348 2.641 20 0 GFADRO Cc1cc(Br)cc(NC(=O)C(=O)NCC2(C[NH+](C)C)CCCC2)c1 ZINC000188157083 552436970 /nfs/dbraw/zinc/43/69/70/552436970.db2.gz ZGYVFKFRXFRVIP-UHFFFAOYSA-N 1 0 396.329 2.934 20 0 GFADRO Cc1cccc(S(=O)(=O)N[C@@H](C)C[NH+]2CCCCC2)c1Br ZINC000188215273 552439288 /nfs/dbraw/zinc/43/92/88/552439288.db2.gz AZPSMVIDOVMWOM-ZDUSSCGKSA-N 1 0 375.332 2.910 20 0 GFADRO COCc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)Cc1ccc(Br)cc1)CC2 ZINC000188306254 552441810 /nfs/dbraw/zinc/44/18/10/552441810.db2.gz NMQLZDYAWPYGRP-WFASDCNBSA-N 1 0 379.302 2.723 20 0 GFADRO C[C@@H]1CN(C(=O)CCc2ncc(-c3ccccc3Br)o2)CC[NH2+]1 ZINC000188439767 552445130 /nfs/dbraw/zinc/44/51/30/552445130.db2.gz BPORGIZKJGQXPU-GFCCVEGCSA-N 1 0 378.270 2.857 20 0 GFADRO Brc1ccc(C[NH2+]CCCn2cccn2)c(N2CCOCC2)c1 ZINC000188693016 552452212 /nfs/dbraw/zinc/45/22/12/552452212.db2.gz XMJFRAWANSNVSK-UHFFFAOYSA-N 1 0 379.302 2.662 20 0 GFADRO C[C@@H]1CN(C(=O)CCc2cccc(Br)c2)CC[N@@H+]1CC(C)(C)O ZINC000188727115 552453428 /nfs/dbraw/zinc/45/34/28/552453428.db2.gz HLVJWHLVQSFKLM-CQSZACIVSA-N 1 0 383.330 2.685 20 0 GFADRO Fc1cc(Br)cc(OCCN2CC[NH+](C[C@H]3CCOC3)CC2)c1 ZINC000189084563 552462608 /nfs/dbraw/zinc/46/26/08/552462608.db2.gz DJUCDKGPTFUBIW-CQSZACIVSA-N 1 0 387.293 2.621 20 0 GFADRO CCCN1CCC[N@H+](CCC(=O)Nc2ccc(Br)cc2)CC1=O ZINC000189370454 552469597 /nfs/dbraw/zinc/46/95/97/552469597.db2.gz WVDNNAYEYJWZCW-UHFFFAOYSA-N 1 0 382.302 2.722 20 0 GFADRO COc1cc(OC)c(NC(=O)N2CC[N@@H+]3CCC[C@H]3C2)cc1Br ZINC000189622565 552476277 /nfs/dbraw/zinc/47/62/77/552476277.db2.gz LTMSJIGRKQLWNX-NSHDSACASA-N 1 0 384.274 2.778 20 0 GFADRO COC(=O)c1scc(C)c1S(=O)(=O)NCCCC[NH+]1CCC(C)CC1 ZINC000190003317 552485050 /nfs/dbraw/zinc/48/50/50/552485050.db2.gz CMFZROMSEVULTH-UHFFFAOYSA-N 1 0 388.555 2.634 20 0 GFADRO COC(=O)CCN(Cc1cccc(Br)c1)C(=O)C[N@H+](C)C(C)C ZINC000190162765 552489160 /nfs/dbraw/zinc/48/91/60/552489160.db2.gz PRKOOVPROUYBIO-UHFFFAOYSA-N 1 0 385.302 2.681 20 0 GFADRO C[C@@H]1CN(Cc2ccc(OC(F)F)c(Br)c2)CC[N@@H+]1CCO ZINC000190250725 552491350 /nfs/dbraw/zinc/49/13/50/552491350.db2.gz WVGFRHDQVRNJTI-LLVKDONJSA-N 1 0 379.245 2.549 20 0 GFADRO C[NH+](C)C[C@H]1CCCCN1C(=O)Cc1ccc(I)cc1 ZINC000190955774 552514701 /nfs/dbraw/zinc/51/47/01/552514701.db2.gz JLBXQEUNZCPBOZ-OAHLLOKOSA-N 1 0 386.277 2.776 20 0 GFADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)Cc3ccc(I)cc3)CC[C@@H]21 ZINC000190977174 552515297 /nfs/dbraw/zinc/51/52/97/552515297.db2.gz JUSOAYGYQHPQKI-ZBFHGGJFSA-N 1 0 398.288 2.776 20 0 GFADRO CCOC(=O)CCCC[N@@H+]1CCCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000191308117 552524161 /nfs/dbraw/zinc/52/41/61/552524161.db2.gz FBGFOKAQVZHGQD-UHFFFAOYSA-N 1 0 380.436 2.802 20 0 GFADRO COc1ccc2c(c1)[C@H]([NH2+]C1CCN(S(=O)(=O)C3CC3)CC1)CCS2 ZINC000191534081 552530752 /nfs/dbraw/zinc/53/07/52/552530752.db2.gz WMJKHXGDEZPPHO-QGZVFWFLSA-N 1 0 382.551 2.778 20 0 GFADRO O=C([C@H]1CCC[N@@H+]1C1CCOCC1)N1CCc2cc(Br)ccc2C1 ZINC000191553756 552531372 /nfs/dbraw/zinc/53/13/72/552531372.db2.gz XEQWCBXIIZXKOP-GOSISDBHSA-N 1 0 393.325 2.977 20 0 GFADRO COC(=O)[C@H]1CC[N@H+](CCC(=O)Nc2cccc(Br)c2)C[C@H]1C ZINC000191860666 552540332 /nfs/dbraw/zinc/54/03/32/552540332.db2.gz TYPXPLGBBWGGQD-DOMZBBRYSA-N 1 0 383.286 2.909 20 0 GFADRO C[NH+](C)CCNC(=O)C(=O)Nc1ccc(-c2ccc(Cl)cc2Cl)nc1 ZINC000191955066 552543921 /nfs/dbraw/zinc/54/39/21/552543921.db2.gz QZTVDSSTGQSCOC-UHFFFAOYSA-N 1 0 381.263 2.672 20 0 GFADRO COCCC[NH+]1CCC(NC(=O)c2cc(Br)c(F)cc2F)CC1 ZINC000192028240 552546570 /nfs/dbraw/zinc/54/65/70/552546570.db2.gz NPTNVNTZGVYXAU-UHFFFAOYSA-N 1 0 391.256 2.958 20 0 GFADRO COC(=O)[C@H](c1ccc(Cl)c(Cl)c1)N1CCC([N@H+](C)CCCO)CC1 ZINC000192027897 552546599 /nfs/dbraw/zinc/54/65/99/552546599.db2.gz NXUMZBLHVMUHIF-KRWDZBQOSA-N 1 0 389.323 2.986 20 0 GFADRO CC(C)C[NH+]1CCN([C@@H]2CCN(c3cccc(Br)c3)C2=O)CC1 ZINC000192059987 552548324 /nfs/dbraw/zinc/54/83/24/552548324.db2.gz VFLFNJANNXEXCJ-QGZVFWFLSA-N 1 0 380.330 2.828 20 0 GFADRO C[NH+](C)CCn1ccc(NC(=O)N2CCc3cc(Br)ccc3C2)n1 ZINC000192277991 552557935 /nfs/dbraw/zinc/55/79/35/552557935.db2.gz OLMIRHAATGOHCP-UHFFFAOYSA-N 1 0 392.301 2.797 20 0 GFADRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)c1cc(Br)nn1C ZINC000192345097 552560966 /nfs/dbraw/zinc/56/09/66/552560966.db2.gz HCJNQPXTQWITOK-CQSZACIVSA-N 1 0 391.313 2.919 20 0 GFADRO CCn1c(SCC(=O)NCCC[NH+](C)C)nnc1-c1ccc(Cl)cc1 ZINC000192806980 552973743 /nfs/dbraw/zinc/97/37/43/552973743.db2.gz BXTJKRXZBLHEJG-UHFFFAOYSA-N 1 0 381.933 2.778 20 0 GFADRO COc1cc(Cl)c(S(=O)(=O)NC[C@H](C)C[NH+]2CCCCC2)cc1OC ZINC000192813387 552974712 /nfs/dbraw/zinc/97/47/12/552974712.db2.gz JPOGSKZTELEHHJ-ZDUSSCGKSA-N 1 0 390.933 2.758 20 0 GFADRO C[NH2+]C[C@@H](C)CNS(=O)(=O)c1cc(Br)c(Cl)cc1Cl ZINC000193278314 552988302 /nfs/dbraw/zinc/98/83/02/552988302.db2.gz UBZUXNOKCPBFJL-SSDOTTSWSA-N 1 0 390.130 2.890 20 0 GFADRO COc1cc(Br)cc(S(=O)(=O)NCc2ccc3c(c2)C[NH2+]C3)c1 ZINC000193434618 552993016 /nfs/dbraw/zinc/99/30/16/552993016.db2.gz YDBVVQLVLNZPPO-UHFFFAOYSA-N 1 0 397.294 2.539 20 0 GFADRO COc1cc(C[NH2+][C@@H]2C(=O)NCC[C@H]2C)cc(Br)c1OC(F)F ZINC000193679624 552999721 /nfs/dbraw/zinc/99/97/21/552999721.db2.gz NYSJGGKEMQDNRC-PELKAZGASA-N 1 0 393.228 2.673 20 0 GFADRO COC[C@@H]([NH2+]C[C@H](O)c1ccc(S(C)(=O)=O)cc1)c1ccc(Cl)cc1 ZINC000193668912 552999776 /nfs/dbraw/zinc/99/97/76/552999776.db2.gz IBMSQMVWXRLQFN-MSOLQXFVSA-N 1 0 383.897 2.754 20 0 GFADRO O[C@@H](COc1ccc(Br)cc1)C[N@@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000193692718 553000470 /nfs/dbraw/zinc/00/04/70/553000470.db2.gz XXMLJBQUXKBBML-DZGCQCFKSA-N 1 0 380.286 2.792 20 0 GFADRO CS(=O)(=O)Nc1cccc2c1CC[N@H+](C[C@H](O)c1ccc(Cl)cc1)C2 ZINC000193793487 553003282 /nfs/dbraw/zinc/00/32/82/553003282.db2.gz YTZZFFSTVHETIY-SFHVURJKSA-N 1 0 380.897 2.803 20 0 GFADRO O[C@@H](C[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCC2)COc1ccccc1Br ZINC000194114527 553011973 /nfs/dbraw/zinc/01/19/73/553011973.db2.gz CENJCCMACWOBBZ-UWWPHRKUSA-N 1 0 382.298 2.736 20 0 GFADRO O=C([C@@H]1Cc2cc(Br)ccc2O1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000194205172 553014258 /nfs/dbraw/zinc/01/42/58/553014258.db2.gz KFAJDUASVYMTQY-RDJZCZTQSA-N 1 0 379.298 2.839 20 0 GFADRO Cc1cc(C[NH+]2CCC(C(=O)Nc3ccc(Br)cn3)CC2)on1 ZINC000194309750 553017113 /nfs/dbraw/zinc/01/71/13/553017113.db2.gz LWQFDOXJUVSCLH-UHFFFAOYSA-N 1 0 379.258 2.991 20 0 GFADRO COC[C@@H](C)C[NH2+]Cc1cc(I)c(OC)c(OC)c1 ZINC000194551785 553024274 /nfs/dbraw/zinc/02/42/74/553024274.db2.gz GCJJUETZTKRCCM-JTQLQIEISA-N 1 0 379.238 2.681 20 0 GFADRO C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 ZINC000194704445 553027456 /nfs/dbraw/zinc/02/74/56/553027456.db2.gz KYGUHXWIQPBHJO-CVEARBPZSA-N 1 0 384.307 2.808 20 0 GFADRO C[NH2+]CCC1CCN(C(=O)c2ccc(F)cc2I)CC1 ZINC000219858721 553054573 /nfs/dbraw/zinc/05/45/73/553054573.db2.gz HYRXDVBVIAIGAK-UHFFFAOYSA-N 1 0 390.240 2.892 20 0 GFADRO CC[NH+](CC)C[C@H](C)NC(=O)c1ccc(F)cc1I ZINC000222365264 553055448 /nfs/dbraw/zinc/05/54/48/553055448.db2.gz ULIPFHYMKTZETF-JTQLQIEISA-N 1 0 378.229 2.890 20 0 GFADRO CC(C)[C@H]([NH3+])C(=O)N1CCC(C(=O)Nc2ccccc2Br)CC1 ZINC000236719052 553070921 /nfs/dbraw/zinc/07/09/21/553070921.db2.gz XQIHVSDAYKBPOO-HNNXBMFYSA-N 1 0 382.302 2.610 20 0 GFADRO CC(=O)N[C@H](CC(=O)NCC[C@H]1CCC[NH2+]C1)c1ccc(Br)cc1 ZINC000236724807 553070985 /nfs/dbraw/zinc/07/09/85/553070985.db2.gz HCBCKERMDPHNEC-RHSMWYFYSA-N 1 0 396.329 2.522 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)N[C@](C)(C[NH3+])C1CC1 ZINC000236827126 553071662 /nfs/dbraw/zinc/07/16/62/553071662.db2.gz KQNJCHCBOCHPLJ-SCLBCKFNSA-N 1 0 384.567 2.595 20 0 GFADRO CCCC[C@@H](C[NH3+])NC(=O)C[C@H](NC(C)=O)c1ccc(Br)cc1 ZINC000236824630 553071744 /nfs/dbraw/zinc/07/17/44/553071744.db2.gz KQLUTSZQHQNDGK-HOTGVXAUSA-N 1 0 384.318 2.650 20 0 GFADRO CCc1nc(C(=O)N2CCC[C@H](C[NH3+])C2)nn1-c1c(Cl)cccc1Cl ZINC000237023611 553073731 /nfs/dbraw/zinc/07/37/31/553073731.db2.gz JVGFHNOLWBFAEX-LLVKDONJSA-N 1 0 382.295 2.947 20 0 GFADRO COc1cc(S(=O)(=O)N[C@@H](C[NH3+])C2CCCCC2)ccc1Br ZINC000237229891 553076068 /nfs/dbraw/zinc/07/60/68/553076068.db2.gz IFXKPPUOYCYCQC-AWEZNQCLSA-N 1 0 391.331 2.644 20 0 GFADRO C[NH2+]CCCC(=O)Nc1cc(Cl)c(NC(=O)c2cnccn2)c(Cl)c1 ZINC000237234023 553076153 /nfs/dbraw/zinc/07/61/53/553076153.db2.gz TWCVIYPWBRZXCU-UHFFFAOYSA-N 1 0 382.251 2.974 20 0 GFADRO COCC[NH2+]CCNC(=O)c1c(C)nn(Cc2ccccc2Cl)c1Cl ZINC000237327907 553076419 /nfs/dbraw/zinc/07/64/19/553076419.db2.gz MSXJIRLTNTWGFM-UHFFFAOYSA-N 1 0 385.295 2.512 20 0 GFADRO Cc1c(C(=O)N2C[C@@H](C)[NH2+]C[C@H]2C)cnn1-c1cccc(Br)c1 ZINC000237382276 553077293 /nfs/dbraw/zinc/07/72/93/553077293.db2.gz QPRKOGPZUDWKAL-VXGBXAGGSA-N 1 0 377.286 2.766 20 0 GFADRO C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)CC2([NH3+])CCC2)CC1 ZINC000237415773 553077670 /nfs/dbraw/zinc/07/76/70/553077670.db2.gz UELKCQDSNZPTNU-CQSZACIVSA-N 1 0 380.330 2.926 20 0 GFADRO C[C@@H](NC(=O)c1ccc(C[NH3+])o1)c1cc2c(cc1Br)OCCO2 ZINC000237532315 553078745 /nfs/dbraw/zinc/07/87/45/553078745.db2.gz NVLOFSCAPYACAI-SECBINFHSA-N 1 0 381.226 2.763 20 0 GFADRO C[C@H](C[NH3+])N(C)C(=O)c1nn(-c2cccc(Br)c2)c2c1CCCC2 ZINC000237653490 553079899 /nfs/dbraw/zinc/07/98/99/553079899.db2.gz SXJHNKSORHONSM-GFCCVEGCSA-N 1 0 391.313 2.933 20 0 GFADRO Cc1cc(NC(=O)CNC(=O)C[C@@H](C)[C@@H]2CCC[NH2+]C2)ccc1Br ZINC000237602867 553080078 /nfs/dbraw/zinc/08/00/78/553080078.db2.gz WAHVMJYNEPQYET-TZMCWYRMSA-N 1 0 396.329 2.838 20 0 GFADRO O=C(NC[C@@H]1CCCN(C(=O)c2cc(Cl)ccc2Cl)C1)[C@H]1CCC[NH2+]1 ZINC000237713821 553081252 /nfs/dbraw/zinc/08/12/52/553081252.db2.gz UYNHXTFXMRQHQJ-BLLLJJGKSA-N 1 0 384.307 2.714 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000237785847 553081671 /nfs/dbraw/zinc/08/16/71/553081671.db2.gz VLFMIRRNMSEINT-TZMCWYRMSA-N 1 0 382.302 2.720 20 0 GFADRO [NH3+]C[C@@H](NC(=O)c1ccc(NC(=O)CSc2cccs2)cc1)C1CC1 ZINC000237793759 553081893 /nfs/dbraw/zinc/08/18/93/553081893.db2.gz XCXGSOXKYJMDPP-OAHLLOKOSA-N 1 0 375.519 2.946 20 0 GFADRO O=C(C[C@@H]1CSCC[NH2+]1)NC[C@H](c1c(F)cccc1Cl)N1CCCC1 ZINC000237754460 553081938 /nfs/dbraw/zinc/08/19/38/553081938.db2.gz YSWDBLSXLURPSR-CZUORRHYSA-N 1 0 385.936 2.827 20 0 GFADRO O=C(NCCN1CC[NH2+]CC1)c1csc(-c2ccc(Cl)c(Cl)c2)n1 ZINC000237812519 553082337 /nfs/dbraw/zinc/08/23/37/553082337.db2.gz GBPHCLPHUWRFQI-UHFFFAOYSA-N 1 0 385.320 2.752 20 0 GFADRO [NH3+][C@@H]1CCC[C@H](C(=O)Nc2cc(Br)ccc2N2CCOCC2)C1 ZINC000237902905 553083846 /nfs/dbraw/zinc/08/38/46/553083846.db2.gz MDFAMGDIRHLWDF-GXTWGEPZSA-N 1 0 382.302 2.742 20 0 GFADRO O=C(NCC[C@@H]1CCC[NH2+]C1)c1ccc(I)c(F)c1 ZINC000237911072 553084064 /nfs/dbraw/zinc/08/40/64/553084064.db2.gz RFOWJMNJWDKYFX-JTQLQIEISA-N 1 0 376.213 2.550 20 0 GFADRO [NH3+][C@@H]1CC[C@H](C(=O)N[C@@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)C1 ZINC000237965079 553084687 /nfs/dbraw/zinc/08/46/87/553084687.db2.gz ZHPPGSONIRGGCT-MVWJERBFSA-N 1 0 376.810 2.576 20 0 GFADRO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1 ZINC000237984014 553084747 /nfs/dbraw/zinc/08/47/47/553084747.db2.gz TVIVACITVLBNRX-BBRMVZONSA-N 1 0 384.929 2.670 20 0 GFADRO Nc1ccc(NC(=O)[C@H]2CCCN2C(=O)c2ccc(Br)cc2)cn1 ZINC000238001139 553084818 /nfs/dbraw/zinc/08/48/18/553084818.db2.gz NGOPLXRKHGWUMX-CQSZACIVSA-N 1 0 389.253 2.670 20 0 GFADRO C[C@H](C(=O)NCCCC[N@@H+]1CCC[C@H]1CO)c1ccc(Br)s1 ZINC000245674222 553094919 /nfs/dbraw/zinc/09/49/19/553094919.db2.gz GERJLROHDFHGFN-STQMWFEESA-N 1 0 389.359 2.967 20 0 GFADRO O[C@H](COc1ccc(Cl)cc1Br)CN1CCOC[C@H]1C1CC1 ZINC000245748156 553096154 /nfs/dbraw/zinc/09/61/54/553096154.db2.gz AOPUGMDJDWABFI-ZFWWWQNUSA-N 1 0 390.705 2.953 20 0 GFADRO C[N@H+](C[C@H](O)COc1ccc(F)cc1)[C@H](CO)c1cccc(Br)c1 ZINC000245955889 553100217 /nfs/dbraw/zinc/10/02/17/553100217.db2.gz UBEICOSMWZNAPB-FUHWJXTLSA-N 1 0 398.272 2.993 20 0 GFADRO CN(C)C(=O)[C@@H]1CC[C@@H](C[NH2+][C@H]2CCCOc3ccc(Br)cc32)O1 ZINC000245979324 553100492 /nfs/dbraw/zinc/10/04/92/553100492.db2.gz ASELNFLFASXGSW-QRTARXTBSA-N 1 0 397.313 2.888 20 0 GFADRO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)Nc2cccc(S(=O)(=O)C(F)F)c2)C1 ZINC000246368067 553107259 /nfs/dbraw/zinc/10/72/59/553107259.db2.gz IVJJCTRCWUHPLF-BXUZGUMPSA-N 1 0 375.441 2.533 20 0 GFADRO CC(=O)N1CC[C@H](C[N@@H+](C)[C@H](C)C(=O)Nc2ccc(Br)c(C)c2)C1 ZINC000246383804 553107365 /nfs/dbraw/zinc/10/73/65/553107365.db2.gz HHOSJPQUQGHDPB-UKRRQHHQSA-N 1 0 396.329 2.885 20 0 GFADRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2S(=O)(=O)c2ccc(OC(F)(F)F)cc2)C1 ZINC000246516308 553109379 /nfs/dbraw/zinc/10/93/79/553109379.db2.gz CEJWJINJLKYKFU-WFASDCNBSA-N 1 0 378.416 2.690 20 0 GFADRO C[C@@H](C(=O)Nc1cc(Cl)ccc1Cl)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246911102 553114772 /nfs/dbraw/zinc/11/47/72/553114772.db2.gz PTADPGXHKOCEHB-KBPBESRZSA-N 1 0 386.323 2.975 20 0 GFADRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2ccccc2I)C1 ZINC000246968729 553116569 /nfs/dbraw/zinc/11/65/69/553116569.db2.gz XSOAIOLUHFGEHG-WFASDCNBSA-N 1 0 384.261 2.848 20 0 GFADRO CC[S@](=O)[C@@H]1CCC[C@@H]([NH2+][C@H](C)c2cccc(S(=O)(=O)N(C)C)c2)C1 ZINC000246966826 553116644 /nfs/dbraw/zinc/11/66/44/553116644.db2.gz IECXJIPVMRSMLM-HQPRLMJRSA-N 1 0 386.583 2.667 20 0 GFADRO CN(Cc1ccccc1Br)C(=O)C[N@@H+]1CCS[C@H]2COCC[C@H]21 ZINC000247036292 553117062 /nfs/dbraw/zinc/11/70/62/553117062.db2.gz QZHDKXHTHFWHCL-CVEARBPZSA-N 1 0 399.354 2.614 20 0 GFADRO CC[C@@H]1CN(C(=O)[C@H](C)Oc2ccc(Br)cc2)CC[N@@H+]1C[C@H](C)O ZINC000247055601 553117899 /nfs/dbraw/zinc/11/78/99/553117899.db2.gz YSMXYCWWAHCVDP-OFQRWUPVSA-N 1 0 399.329 2.520 20 0 GFADRO CN(CC(=O)N1CCC[C@@H](C(F)(F)F)C1)Cc1ccc([S@@](C)=O)cc1 ZINC000247091889 553118736 /nfs/dbraw/zinc/11/87/36/553118736.db2.gz PVWCXLGZMSGDER-DLUDVSRJSA-N 1 0 376.444 2.657 20 0 GFADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)Nc2nnc(C(F)F)s2)[C@@H](C)C1 ZINC000247225248 553120085 /nfs/dbraw/zinc/12/00/85/553120085.db2.gz NLTHGHVCUCWQDS-QWRGUYRKSA-N 1 0 377.461 2.734 20 0 GFADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)NCCNc3ncc(Cl)cc3Cl)CC[C@H]21 ZINC000247346103 553121665 /nfs/dbraw/zinc/12/16/65/553121665.db2.gz XVGRURYCPBGFHW-IUODEOHRSA-N 1 0 386.327 2.926 20 0 GFADRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)S(=O)(=O)c1ccc(F)c(Br)c1 ZINC000247400198 553122007 /nfs/dbraw/zinc/12/20/07/553122007.db2.gz HRDWEILCDDDTRT-QMTHXVAHSA-N 1 0 379.295 2.549 20 0 GFADRO C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000247550104 553124157 /nfs/dbraw/zinc/12/41/57/553124157.db2.gz ZEOALPSUQQFMRK-RWMBFGLXSA-N 1 0 384.307 2.807 20 0 GFADRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2S(=O)(=O)c2cc(C(F)(F)F)ccc2F)C1 ZINC000247658188 553124595 /nfs/dbraw/zinc/12/45/95/553124595.db2.gz XMAQQINZGPDLHT-FZMZJTMJSA-N 1 0 380.407 2.949 20 0 GFADRO CC[C@H](C)[C@@H](C)[NH2+][C@H](C)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000248568570 553131145 /nfs/dbraw/zinc/13/11/45/553131145.db2.gz LLPUVHNOIROADB-YNEHKIRRSA-N 1 0 389.949 2.942 20 0 GFADRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)c3[nH]nc(-c4ccccc4)c3Br)C[C@H]12 ZINC000248637013 553132621 /nfs/dbraw/zinc/13/26/21/553132621.db2.gz QNWWMOIJXNQNDT-RWMBFGLXSA-N 1 0 375.270 2.649 20 0 GFADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@@H]3Cc4cc(Br)ccc4O3)CC[C@H]21 ZINC000248715744 553133883 /nfs/dbraw/zinc/13/38/83/553133883.db2.gz DWCKIMKQXLVCOA-VMGRFDJRSA-N 1 0 379.298 2.695 20 0 GFADRO Cc1cc(Br)cc(NC(=O)C(=O)NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000249108619 553139778 /nfs/dbraw/zinc/13/97/78/553139778.db2.gz AKGFUXMPJRAOCU-TZMCWYRMSA-N 1 0 396.329 2.933 20 0 GFADRO COC[C@@H]1CN(Cc2cnn(-c3ccc(Br)cc3)c2)C[C@H](C)O1 ZINC000249188250 553140178 /nfs/dbraw/zinc/14/01/78/553140178.db2.gz OPERFHYSRVJEJN-GUYCJALGSA-N 1 0 380.286 2.871 20 0 GFADRO COc1cc(Br)ccc1[C@H](C)[NH2+][C@@H](C)C(=O)NC[C@H]1CCCO1 ZINC000249285533 553141723 /nfs/dbraw/zinc/14/17/23/553141723.db2.gz LNQKJRNVSLIURC-SGMGOOAPSA-N 1 0 385.302 2.792 20 0 GFADRO C[C@H](Oc1ccccc1Br)C(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000249380226 553142516 /nfs/dbraw/zinc/14/25/16/553142516.db2.gz OXFIXVDYGJNFDL-KGLIPLIRSA-N 1 0 399.329 2.520 20 0 GFADRO CCC[N@H+](C[C@H](O)CN1CCOCC1)[C@H](C)c1ccccc1Br ZINC000249717150 553145547 /nfs/dbraw/zinc/14/55/47/553145547.db2.gz JLHRVNYKDFARNM-HZPDHXFCSA-N 1 0 385.346 2.915 20 0 GFADRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)Nc1ccccc1Br ZINC000250671841 553147833 /nfs/dbraw/zinc/14/78/33/553147833.db2.gz YASAQBGUUVCOLP-MJBXVCDLSA-N 1 0 396.329 2.870 20 0 GFADRO Cc1sc(Br)cc1S(=O)(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000250956038 553147842 /nfs/dbraw/zinc/14/78/42/553147842.db2.gz SFEBKBFNZCHMAG-VXGBXAGGSA-N 1 0 393.372 2.972 20 0 GFADRO Brc1cnc(CN2CC[C@H]3C[NH2+]C[C@H]3C2)c(Br)c1 ZINC000261559229 553153606 /nfs/dbraw/zinc/15/36/06/553153606.db2.gz DQSSHQGJXLZXHV-UWVGGRQHSA-N 1 0 375.108 2.648 20 0 GFADRO COCC1(CNC(=O)C(C)(C)c2ccc(Br)cc2)CC[NH2+]CC1 ZINC000261626538 553154486 /nfs/dbraw/zinc/15/44/86/553154486.db2.gz AJJBHMASBKUYOR-UHFFFAOYSA-N 1 0 383.330 2.859 20 0 GFADRO COC(=O)C[C@@H](NC(=O)C[C@@H]1CCC[C@H]1[NH3+])c1cccc(Br)c1 ZINC000261620874 553154566 /nfs/dbraw/zinc/15/45/66/553154566.db2.gz AUYHHPSKSLCKRS-NILFDRSVSA-N 1 0 383.286 2.687 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000261731319 553157198 /nfs/dbraw/zinc/15/71/98/553157198.db2.gz CUISXUIHPUUSNQ-KBXCAEBGSA-N 1 0 384.567 2.548 20 0 GFADRO C[C@@]([NH3+])(C(=O)Nc1nc2c(s1)COCC2)c1ccc(Br)cc1 ZINC000261748939 553158024 /nfs/dbraw/zinc/15/80/24/553158024.db2.gz MLJHHLMEQCILSR-HNNXBMFYSA-N 1 0 382.283 2.791 20 0 GFADRO O=C(NC[C@@H]1CCCN(Cc2cc(F)cc(Br)c2)C1)[C@@H]1CCC[NH2+]1 ZINC000261791948 553159124 /nfs/dbraw/zinc/15/91/24/553159124.db2.gz ZBDGVEBKGIRJAJ-GUYCJALGSA-N 1 0 398.320 2.668 20 0 GFADRO Cn1ncc2c1CCC[C@@H]2NC(=O)[C@@](C)([NH3+])c1ccc(Br)cc1 ZINC000261851839 553161213 /nfs/dbraw/zinc/16/12/13/553161213.db2.gz VVFBKVSEEBICAN-YOEHRIQHSA-N 1 0 377.286 2.550 20 0 GFADRO COc1cc(CN(C)C(=O)[C@@](C)([NH3+])c2ccc(Br)cc2)ccc1O ZINC000261865682 553161852 /nfs/dbraw/zinc/16/18/52/553161852.db2.gz XGXKPRSPVUNJAO-SFHVURJKSA-N 1 0 393.281 2.996 20 0 GFADRO O=C(C1=Cc2cc(Br)ccc2OC1)N1CCC2(CC[NH2+]C2)CC1 ZINC000261894138 553162232 /nfs/dbraw/zinc/16/22/32/553162232.db2.gz VNOWWCHTPAKJDL-UHFFFAOYSA-N 1 0 377.282 2.827 20 0 GFADRO C[NH2+][C@@H](C)Cc1noc([C@H]2CCCN2C(=O)c2ccc(Br)cc2)n1 ZINC000261904052 553162237 /nfs/dbraw/zinc/16/22/37/553162237.db2.gz YVKSLRAEBRQKPE-SMDDNHRTSA-N 1 0 393.285 2.960 20 0 GFADRO COc1ccc(NC(=O)[C@]2([NH3+])[C@@H]3CCCO[C@@H]3C2(C)C)cc1Br ZINC000261931216 553163035 /nfs/dbraw/zinc/16/30/35/553163035.db2.gz SVBDQWYIJPISAS-HYSWKAIVSA-N 1 0 383.286 2.929 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000261990007 553164092 /nfs/dbraw/zinc/16/40/92/553164092.db2.gz RBBNBDLWVSQQRQ-GXTWGEPZSA-N 1 0 382.302 2.672 20 0 GFADRO O=C(CSCc1ccc(Cl)cc1Cl)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000262066965 553165075 /nfs/dbraw/zinc/16/50/75/553165075.db2.gz OPAFRLHKRVWRKF-OAHLLOKOSA-N 1 0 388.364 2.733 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCCN(S(=O)(=O)c2cccc(Br)c2Cl)C1 ZINC000262105637 553165891 /nfs/dbraw/zinc/16/58/91/553165891.db2.gz UATABMDRRKFMNO-VHSXEESVSA-N 1 0 381.723 2.850 20 0 GFADRO O=C(c1csc(-c2ccc(Cl)s2)n1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000262237890 553168215 /nfs/dbraw/zinc/16/82/15/553168215.db2.gz HMJAHFJSETYXRH-NSHDSACASA-N 1 0 382.942 2.645 20 0 GFADRO CCC[C@@](C)([NH3+])C(=O)Nc1nc(-c2ccc(NS(C)(=O)=O)cc2)cs1 ZINC000262335017 553169296 /nfs/dbraw/zinc/16/92/96/553169296.db2.gz WSGWANWGNMJWJV-MRXNPFEDSA-N 1 0 382.511 2.638 20 0 GFADRO COC[C@@]1(CNS(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)CCC[NH2+]1 ZINC000262442181 553170731 /nfs/dbraw/zinc/17/07/31/553170731.db2.gz GXUNPRYGJTVKMV-ZDUSSCGKSA-N 1 0 387.716 2.694 20 0 GFADRO O=C(COc1ccc(Br)cc1)NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000262440090 553170806 /nfs/dbraw/zinc/17/08/06/553170806.db2.gz USYWGFNNZQTCLH-KRWDZBQOSA-N 1 0 375.266 2.831 20 0 GFADRO CC[NH2+][C@H](C)CNS(=O)(=O)c1ccc(Br)cc1C(F)(F)F ZINC000262474677 553171321 /nfs/dbraw/zinc/17/13/21/553171321.db2.gz PVTUDIJGJQZOKV-MRVPVSSYSA-N 1 0 389.237 2.744 20 0 GFADRO CC(C)(C[NH3+])NC(=O)c1nn(-c2cccc(Br)c2)c2c1CCC2 ZINC000262520820 553172127 /nfs/dbraw/zinc/17/21/27/553172127.db2.gz WTHLLYHXEIDNBQ-UHFFFAOYSA-N 1 0 377.286 2.591 20 0 GFADRO C[C@@H](C(=O)Nc1nnc(-c2cc(Br)ccc2F)s1)C1C[NH2+]C1 ZINC000262581874 553172620 /nfs/dbraw/zinc/17/26/20/553172620.db2.gz UQQVMOIRUCICBA-SSDOTTSWSA-N 1 0 385.262 2.901 20 0 GFADRO O=C(CCC[S@@](=O)c1ccc(Br)cc1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262620727 553173500 /nfs/dbraw/zinc/17/35/00/553173500.db2.gz IHTXVVVGHOLTGM-HUYGQZFBSA-N 1 0 399.354 2.690 20 0 GFADRO [NH3+][C@H](Cc1ccccc1)C(=O)N[C@H]1CCN(c2ccccc2Br)C1 ZINC000262680757 553174227 /nfs/dbraw/zinc/17/42/27/553174227.db2.gz WUOMNSAPATZYLY-DOTOQJQBSA-N 1 0 388.309 2.714 20 0 GFADRO CN(Cc1cc(Br)ccc1F)C(=O)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000262718668 553174551 /nfs/dbraw/zinc/17/45/51/553174551.db2.gz HJWWQJSFKXYOFB-CQSZACIVSA-N 1 0 395.276 2.981 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000262784553 553175671 /nfs/dbraw/zinc/17/56/71/553175671.db2.gz CNTKLCKXBYJBQH-RRFJBIMHSA-N 1 0 384.567 2.608 20 0 GFADRO Cc1c(C(=O)N[C@@H]2CC[NH2+][C@@H](C)C2)cnn1-c1cccc(Br)c1 ZINC000262797036 553176059 /nfs/dbraw/zinc/17/60/59/553176059.db2.gz DTMQCHSVNGGJLT-SMDDNHRTSA-N 1 0 377.286 2.814 20 0 GFADRO CCc1c(C(=O)N[C@@H]2CC[NH2+]C[C@H]2C)cnn1-c1ccc(Br)cc1 ZINC000262907057 553178538 /nfs/dbraw/zinc/17/85/38/553178538.db2.gz YFQSLDIGXFVVHU-MLGOLLRUSA-N 1 0 391.313 2.925 20 0 GFADRO C[C@]1([NH3+])CCCC[C@@H]1C(=O)NCCc1ccc(I)s1 ZINC000262960150 553179628 /nfs/dbraw/zinc/17/96/28/553179628.db2.gz KQTHDLZCPJOEKM-RISCZKNCSA-N 1 0 392.306 2.919 20 0 GFADRO CN(CC(=O)Nc1ccccc1Br)C(=O)[C@@H]1CCCC[C@]1(C)[NH3+] ZINC000263267116 553185312 /nfs/dbraw/zinc/18/53/12/553185312.db2.gz RRCNXVXTYRKKTD-SJCJKPOMSA-N 1 0 382.302 2.754 20 0 GFADRO CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2cc(Cl)c(OC)c(Cl)c2)C1 ZINC000263652105 553190489 /nfs/dbraw/zinc/19/04/89/553190489.db2.gz DBZBLTAKFDGOGE-LLVKDONJSA-N 1 0 388.295 2.789 20 0 GFADRO CCNC(=O)CC[NH+]1CCC(C(=O)Nc2cccc(Br)c2)CC1 ZINC000263696432 553191279 /nfs/dbraw/zinc/19/12/79/553191279.db2.gz KPRUWICUQFZISH-UHFFFAOYSA-N 1 0 382.302 2.626 20 0 GFADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCC(C(=O)Nc2cccc(Br)c2)CC1 ZINC000263737355 553192494 /nfs/dbraw/zinc/19/24/94/553192494.db2.gz VBLONRAQQVPDQV-MRXNPFEDSA-N 1 0 394.313 2.720 20 0 GFADRO C[N@@H+]1CCC[C@H](CCNS(=O)(=O)Cc2ccc(Br)cc2)C1 ZINC000416563723 563849228 /nfs/dbraw/zinc/84/92/28/563849228.db2.gz YPCSCWKPQUQGCA-CYBMUJFWSA-N 1 0 375.332 2.600 20 0 GFADRO C[NH+](C)CCn1nnnc1SCc1cc(Br)cc(F)c1F ZINC000563237466 564180970 /nfs/dbraw/zinc/18/09/70/564180970.db2.gz GFINJSWHNXBLTN-UHFFFAOYSA-N 1 0 378.246 2.568 20 0 GFADRO C[C@@H]1[C@H](O)CCC[N@@H+]1C[C@H](O)COc1ccc(Cl)cc1Br ZINC000451451963 564315491 /nfs/dbraw/zinc/31/54/91/564315491.db2.gz DNUMIAWMHTZKGE-SCDSUCTJSA-N 1 0 378.694 2.687 20 0 GFADRO C[C@H](NS(=O)(=O)c1ccc(Br)cc1F)C(C)(C)C[NH+](C)C ZINC000476338477 564336149 /nfs/dbraw/zinc/33/61/49/564336149.db2.gz RSPZTIBJLMFLEY-JTQLQIEISA-N 1 0 381.311 2.843 20 0 GFADRO C[C@@H](CNS(=O)(=O)c1cccc(Cl)c1Br)[NH+]1CCCC1 ZINC000566654959 564336560 /nfs/dbraw/zinc/33/65/60/564336560.db2.gz FVYAQZUODXXFLI-JTQLQIEISA-N 1 0 381.723 2.865 20 0 GFADRO C[C@@H]1CN(C(=O)Cc2ccccc2I)CC[N@@H+](C2CC2)C1 ZINC000452173838 564398186 /nfs/dbraw/zinc/39/81/86/564398186.db2.gz OBCQHJXIPCILIE-ZDUSSCGKSA-N 1 0 398.288 2.776 20 0 GFADRO O=C(N[C@@H]1CCC[N@@H+](CCCO)C1)c1cc(Cl)cc(Br)c1 ZINC000452383878 564411289 /nfs/dbraw/zinc/41/12/89/564411289.db2.gz PNJUNEWYLAGQHC-CQSZACIVSA-N 1 0 375.694 2.679 20 0 GFADRO C[C@H]([NH2+]C[C@@H]1CCS(=O)(=O)C1)c1ccc(F)c(I)c1 ZINC000453081516 564445358 /nfs/dbraw/zinc/44/53/58/564445358.db2.gz ULLQLGLSCSWNGJ-UWVGGRQHSA-N 1 0 397.253 2.516 20 0 GFADRO Cc1cc(Cl)cc(NC(=O)C(=O)N[C@H](C)CC[NH+](C)C)c1Br ZINC000453635334 564461453 /nfs/dbraw/zinc/46/14/53/564461453.db2.gz ITXVVWLIDTXMHL-SNVBAGLBSA-N 1 0 390.709 2.806 20 0 GFADRO C[C@@H](CCCC[NH3+])NC(=O)N(CCO)Cc1cc(Br)cs1 ZINC000418691592 563222821 /nfs/dbraw/zinc/22/28/21/563222821.db2.gz HXIOSRYFTGQIMM-NSHDSACASA-N 1 0 378.336 2.532 20 0 GFADRO C[C@@H]1CN(S(=O)(=O)Cc2ccc(Cl)cc2Br)C[C@@]1(C)C[NH3+] ZINC000420453450 563263866 /nfs/dbraw/zinc/26/38/66/563263866.db2.gz CIYIPHQBLDLJJP-QMTHXVAHSA-N 1 0 395.750 2.849 20 0 GFADRO [NH3+]C[C@@H](NC(=O)c1cc(F)c(F)cc1I)C1CCCC1 ZINC000423968480 563365704 /nfs/dbraw/zinc/36/57/04/563365704.db2.gz UUQZDTCKAGAZTN-CYBMUJFWSA-N 1 0 394.203 2.817 20 0 GFADRO COCC1(C(=O)Nc2cc(I)ccc2C)CC[NH2+]CC1 ZINC000312688432 563436815 /nfs/dbraw/zinc/43/68/15/563436815.db2.gz BLGKCKAJLAWDDR-UHFFFAOYSA-N 1 0 388.249 2.554 20 0 GFADRO CCOc1c(Br)cc(C[N@H+](C)[C@@H]2CCN3CCO[C@H]2C3)cc1OC ZINC000294673248 563212647 /nfs/dbraw/zinc/21/26/47/563212647.db2.gz ARDUJWKBXNCAJU-WBVHZDCISA-N 1 0 399.329 2.761 20 0 GFADRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)NCCc1c[nH]c2cccc(Br)c12 ZINC000418202936 563213110 /nfs/dbraw/zinc/21/31/10/563213110.db2.gz USJNMQNKUGTREY-NWDGAFQWSA-N 1 0 379.302 2.852 20 0 GFADRO C[C@@H]([NH2+][C@@H]1CCN(c2ccn(C)n2)C1=O)c1ccc(F)c(Br)c1 ZINC000369442099 563213885 /nfs/dbraw/zinc/21/38/85/563213885.db2.gz XCWNHAKEBGUTEZ-QMTHXVAHSA-N 1 0 381.249 2.778 20 0 GFADRO Cc1nc(CNC(=O)N[C@@H](C[NH3+])C2CCCCC2)sc1Br ZINC000418239797 563214131 /nfs/dbraw/zinc/21/41/31/563214131.db2.gz QVJDYXMIOBGXRO-NSHDSACASA-N 1 0 375.336 2.921 20 0 GFADRO CO[C@@H]1CCN(C(=O)NCCOc2ccc(Cl)c(Cl)c2)[C@H](C[NH3+])C1 ZINC000418239825 563214302 /nfs/dbraw/zinc/21/43/02/563214302.db2.gz QXGIITMNCIMYPW-NWDGAFQWSA-N 1 0 376.284 2.520 20 0 GFADRO [NH3+]CC[C@@H]1CCCN(C(=O)NCc2nc3c(cccc3Br)[nH]2)C1 ZINC000418257680 563214599 /nfs/dbraw/zinc/21/45/99/563214599.db2.gz DBFKDRPXLSFQCD-NSHDSACASA-N 1 0 380.290 2.596 20 0 GFADRO C[NH+](C)[C@H]1CCc2ccccc2[C@@H]1NS(=O)(=O)Cc1ccc(Cl)nc1 ZINC000369465864 563214785 /nfs/dbraw/zinc/21/47/85/563214785.db2.gz FSOHTINXUFDKHI-WMZOPIPTSA-N 1 0 379.913 2.772 20 0 GFADRO CCOC(=O)c1nn(C)cc1CN(C)C[C@@H](O)c1ccccc1Br ZINC000294728883 563214889 /nfs/dbraw/zinc/21/48/89/563214889.db2.gz BKRWPOYBALMRLJ-OAHLLOKOSA-N 1 0 396.285 2.525 20 0 GFADRO CC[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)NCCC[NH2+]C)CC1 ZINC000418279697 563215370 /nfs/dbraw/zinc/21/53/70/563215370.db2.gz PQEAQFKFFTXNOG-KRWDZBQOSA-N 1 0 397.361 2.837 20 0 GFADRO O=C(NCCN1CC[NH2+]CC1)N1CCC(c2c(Cl)cccc2Cl)CC1 ZINC000418291812 563215417 /nfs/dbraw/zinc/21/54/17/563215417.db2.gz CANDZVOKAHVTJR-UHFFFAOYSA-N 1 0 385.339 2.788 20 0 GFADRO C[C@H]1c2cc(Cl)cc(Cl)c2CCN1C(=O)NCCCN1CC[NH2+]CC1 ZINC000418293493 563215440 /nfs/dbraw/zinc/21/54/40/563215440.db2.gz DRCHWIWAMWFFKM-ZDUSSCGKSA-N 1 0 385.339 2.917 20 0 GFADRO O=C(Nc1cc(Cl)cc(Cl)c1)[C@@H]1CCCN1C(=O)NC1CC[NH2+]CC1 ZINC000418303855 563215762 /nfs/dbraw/zinc/21/57/62/563215762.db2.gz DVTVVNSACSDEEI-HNNXBMFYSA-N 1 0 385.295 2.858 20 0 GFADRO COc1cccc(CS(=O)(=O)NC[C@H]2CC[N@H+](C)[C@@H]2c2cccs2)c1 ZINC000369541371 563216278 /nfs/dbraw/zinc/21/62/78/563216278.db2.gz UFUNTEQXGZTXAR-QAPCUYQASA-N 1 0 380.535 2.869 20 0 GFADRO O=C(NC[C@@H]1CCC[NH2+]1)N1CCC[C@@H]1c1ccccc1I ZINC000418368184 563216426 /nfs/dbraw/zinc/21/64/26/563216426.db2.gz MGDGLXNOGJOYHN-SWLSCSKDSA-N 1 0 399.276 2.890 20 0 GFADRO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)c1nn(C)cc1Br ZINC000294794751 563217075 /nfs/dbraw/zinc/21/70/75/563217075.db2.gz AUIKICUJTBSBLX-UHFFFAOYSA-N 1 0 399.255 2.919 20 0 GFADRO [NH3+]C[C@H]1CCCC[C@H]1NC(=O)N(CCO)Cc1cc(Br)cs1 ZINC000418402645 563217319 /nfs/dbraw/zinc/21/73/19/563217319.db2.gz BHGALKVEEKYYDL-BXUZGUMPSA-N 1 0 390.347 2.532 20 0 GFADRO CCCC[C@@H](C[NH3+])NC(=O)N(CCO)Cc1ccc(Br)s1 ZINC000418468122 563217977 /nfs/dbraw/zinc/21/79/77/563217977.db2.gz PIPKJKQDRMVBCB-NSHDSACASA-N 1 0 378.336 2.532 20 0 GFADRO COc1cc(C[NH2+]C[C@H](C)CCCO)cc(I)c1OC ZINC000294851528 563219235 /nfs/dbraw/zinc/21/92/35/563219235.db2.gz SBSOTDIOGARDTO-LLVKDONJSA-N 1 0 393.265 2.807 20 0 GFADRO COc1ccc(Br)c(CN(C)C(=O)NC[C@]2(C)CCC[NH2+]C2)c1 ZINC000418533341 563219409 /nfs/dbraw/zinc/21/94/09/563219409.db2.gz DJVXMYOSUBFBNQ-QGZVFWFLSA-N 1 0 384.318 2.989 20 0 GFADRO Cc1ncc(C[N@@H+]2CC[C@H](NC(=O)N(C)Cc3cscn3)[C@@H](C)C2)s1 ZINC000369611100 563219789 /nfs/dbraw/zinc/21/97/89/563219789.db2.gz DCLSDIRDOGORKK-LRDDRELGSA-N 1 0 379.555 2.960 20 0 GFADRO C[C@@H](CC[NH3+])NC(=O)N[C@@H](CO)c1ccc(Br)cc1C(F)(F)F ZINC000418563612 563219888 /nfs/dbraw/zinc/21/98/88/563219888.db2.gz SXPCSJFHGQYKLW-UFBFGSQYSA-N 1 0 398.223 2.538 20 0 GFADRO COCCN(Cc1ccc(Br)s1)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000418553242 563220131 /nfs/dbraw/zinc/22/01/31/563220131.db2.gz SRIJIGLVMHNUCF-GFCCVEGCSA-N 1 0 390.347 2.811 20 0 GFADRO C[C@@H]1C[N@H+](CCCNC(=O)[C@H](O)c2cc(Cl)cc(Cl)c2)CCCO1 ZINC000277682257 563220665 /nfs/dbraw/zinc/22/06/65/563220665.db2.gz VCVLVLOBWKNBBS-MLGOLLRUSA-N 1 0 375.296 2.644 20 0 GFADRO CC[NH2+][C@H](C)CNC(=O)N(CCOC)Cc1cc(Br)cs1 ZINC000418588103 563220704 /nfs/dbraw/zinc/22/07/04/563220704.db2.gz FIGGMOCEORTEAI-LLVKDONJSA-N 1 0 378.336 2.667 20 0 GFADRO CCn1nc(C)c(S(=O)(=O)NC[C@H]2CC[N@H+](C)[C@H]2c2cccs2)c1C ZINC000369674055 563221004 /nfs/dbraw/zinc/22/10/04/563221004.db2.gz MWKMJCWDKHMURH-GDBMZVCRSA-N 1 0 382.555 2.553 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)N2CCO[C@H](c3ccc(Br)cc3)C2)CC[NH2+]1 ZINC000418594422 563221005 /nfs/dbraw/zinc/22/10/05/563221005.db2.gz FNDSSDRGJSKPCN-WQVCFCJDSA-N 1 0 382.302 2.673 20 0 GFADRO [NH3+]C[C@H](NC(=O)N1CCOc2ccc(Br)cc2C1)C1CCCC1 ZINC000418609648 563221697 /nfs/dbraw/zinc/22/16/97/563221697.db2.gz CMGQWDHNTYGIML-HNNXBMFYSA-N 1 0 382.302 2.871 20 0 GFADRO COC[C@]1(CNC(=O)N(C)[C@H](C)c2ccccc2Br)CCC[NH2+]1 ZINC000418658645 563222059 /nfs/dbraw/zinc/22/20/59/563222059.db2.gz UJJFFMLKXCZQNP-CXAGYDPISA-N 1 0 384.318 2.920 20 0 GFADRO COCCN(Cc1ccc(Br)s1)C(=O)N[C@H](C)CCC[NH3+] ZINC000418685929 563222081 /nfs/dbraw/zinc/22/20/81/563222081.db2.gz JJJOXXSJAPWCCB-LLVKDONJSA-N 1 0 378.336 2.796 20 0 GFADRO C[C@H](CCCC[NH3+])NC(=O)N(CCO)Cc1cc(Br)cs1 ZINC000418691591 563222291 /nfs/dbraw/zinc/22/22/91/563222291.db2.gz HXIOSRYFTGQIMM-LLVKDONJSA-N 1 0 378.336 2.532 20 0 GFADRO O=Cc1ccc(OCC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)c(Br)c1 ZINC000369726378 563222548 /nfs/dbraw/zinc/22/25/48/563222548.db2.gz USZBOZYBNKVCMU-OAHLLOKOSA-N 1 0 395.297 2.727 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1CN(C)Cc1ccncc1 ZINC000294956646 563222946 /nfs/dbraw/zinc/22/29/46/563222946.db2.gz DOZQRUHBXJGRAB-ZDUSSCGKSA-N 1 0 392.297 2.989 20 0 GFADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[N@H+](C)C[C@@H]1CCCOC1 ZINC000294964974 563223908 /nfs/dbraw/zinc/22/39/08/563223908.db2.gz WJTRFQVMPANNKQ-KGLIPLIRSA-N 1 0 399.329 2.821 20 0 GFADRO [NH3+]C[C@@H]1CC[C@H](NC(=O)N2CCO[C@H](c3ccc(Br)cc3)C2)C1 ZINC000418756651 563224530 /nfs/dbraw/zinc/22/45/30/563224530.db2.gz AIBGPQRQCDKGAG-KCXAZCMYSA-N 1 0 382.302 2.659 20 0 GFADRO C[NH2+]C[C@H](C)CNC(=O)C(=O)N[C@H](c1cccs1)c1ccc(Cl)cc1 ZINC000418765408 563224851 /nfs/dbraw/zinc/22/48/51/563224851.db2.gz PIVSDSNIPGJZJL-LRDDRELGSA-N 1 0 379.913 2.579 20 0 GFADRO CN(Cc1ccc(Br)c(F)c1)C(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000418768956 563224967 /nfs/dbraw/zinc/22/49/67/563224967.db2.gz RFWVBBRCJQBAEK-GFCCVEGCSA-N 1 0 380.208 2.727 20 0 GFADRO CC[C@H](CN(C)C(=O)NC[C@H]1C[NH2+]CCO1)Oc1ccc(Cl)c(Cl)c1 ZINC000418771050 563225062 /nfs/dbraw/zinc/22/50/62/563225062.db2.gz RHCXTZQMJRRQGA-TZMCWYRMSA-N 1 0 390.311 2.781 20 0 GFADRO [NH3+][C@@H]1CCCN(C(=O)C(=O)N[C@H](c2cccs2)c2ccc(Cl)cc2)C1 ZINC000418767320 563225200 /nfs/dbraw/zinc/22/52/00/563225200.db2.gz RXODOEIVTGGDDE-ZBFHGGJFSA-N 1 0 377.897 2.557 20 0 GFADRO O=C(N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)N1CCN(Cc2ccc(Cl)s2)CC1 ZINC000418796484 563225619 /nfs/dbraw/zinc/22/56/19/563225619.db2.gz RHTFNDYNUAWFMM-QLFBSQMISA-N 1 0 382.961 2.617 20 0 GFADRO O=C(N[C@H](CCO)c1ccccc1Br)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000418807082 563225677 /nfs/dbraw/zinc/22/56/77/563225677.db2.gz YYAVBEGAYFTCLK-UMPJEAMMSA-N 1 0 396.329 2.560 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000418819485 563226721 /nfs/dbraw/zinc/22/67/21/563226721.db2.gz QLEIWKHMSZTUJO-YGSHXTJESA-N 1 0 384.307 2.551 20 0 GFADRO C[C@@H](NC(=O)C(=O)N1CCC([C@H](C)[NH3+])CC1)c1cc(F)c(Cl)cc1Cl ZINC000418838264 563227085 /nfs/dbraw/zinc/22/70/85/563227085.db2.gz CBAAZJZMUGBQDO-VHSXEESVSA-N 1 0 390.286 2.896 20 0 GFADRO COc1cc(C[NH2+]CC[C@H](C)CCO)cc(I)c1OC ZINC000295063491 563227401 /nfs/dbraw/zinc/22/74/01/563227401.db2.gz GRSPIGCODDULTM-NSHDSACASA-N 1 0 393.265 2.807 20 0 GFADRO C[C@H](NC(=O)C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(Cl)cc1Cl ZINC000418833331 563227449 /nfs/dbraw/zinc/22/74/49/563227449.db2.gz NDYMYPBRQACOAF-RAQOOLMWSA-N 1 0 384.307 2.912 20 0 GFADRO COCCC[N@H+](C)CCNc1nc(C(F)(F)F)c(Br)s1 ZINC000418863148 563228900 /nfs/dbraw/zinc/22/89/00/563228900.db2.gz BHJRCRDLOCUYGU-UHFFFAOYSA-N 1 0 376.242 3.305 20 0 GFADRO Cc1cc(I)cn(CC[N@@H+](C)Cc2ccccc2)c1=O ZINC000418922677 563230135 /nfs/dbraw/zinc/23/01/35/563230135.db2.gz LKOUGACBTCNNPB-UHFFFAOYSA-N 1 0 382.245 2.893 20 0 GFADRO C[C@H]([NH2+]C[C@@H]1CCC[C@]12NC(=O)N(C)C2=O)c1ccccc1Br ZINC000370024367 563230915 /nfs/dbraw/zinc/23/09/15/563230915.db2.gz CGUXXUOKTPMWEF-PRXAMGSTSA-N 1 0 380.286 2.820 20 0 GFADRO O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)c1cn2cc(Cl)cc(Cl)c2n1 ZINC000370004792 563231270 /nfs/dbraw/zinc/23/12/70/563231270.db2.gz FAEHIMVMGAODEK-ZDUSSCGKSA-N 1 0 383.279 2.624 20 0 GFADRO [NH3+]CC[C@H]1CCCN(C(=O)C(=O)NCCCc2ccc(Cl)cc2Cl)C1 ZINC000419037154 563232132 /nfs/dbraw/zinc/23/21/32/563232132.db2.gz HNTWQNRYIYMHFA-CYBMUJFWSA-N 1 0 386.323 2.630 20 0 GFADRO COc1cc(C[NH2+]C[C@H](O)Cc2cccc(F)c2)cc(Br)c1O ZINC000295166948 563232684 /nfs/dbraw/zinc/23/26/84/563232684.db2.gz SYZFBDDVCAATDA-CQSZACIVSA-N 1 0 384.245 2.996 20 0 GFADRO C[NH+](C)CCN1CCCN(C(=O)c2cc(Cl)ccc2OC(F)F)CC1 ZINC000370110464 563232980 /nfs/dbraw/zinc/23/29/80/563232980.db2.gz IDTQDRDMLFMYSQ-UHFFFAOYSA-N 1 0 375.847 2.651 20 0 GFADRO [NH3+]C1(CNC(=O)C(=O)NCC2(c3c(Cl)cccc3Cl)CCC2)CCC1 ZINC000419180698 563234426 /nfs/dbraw/zinc/23/44/26/563234426.db2.gz XQGKXWCXKBGOLG-UHFFFAOYSA-N 1 0 384.307 2.529 20 0 GFADRO C[C@H](CC[NH3+])NC(=O)C(=O)NCC1(c2ccc(Cl)cc2Cl)CCCC1 ZINC000419158602 563234698 /nfs/dbraw/zinc/23/46/98/563234698.db2.gz WRMZFCBUYBVPQI-GFCCVEGCSA-N 1 0 386.323 2.775 20 0 GFADRO C[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000419282133 563236475 /nfs/dbraw/zinc/23/64/75/563236475.db2.gz LRMIDCBVAIVRKB-QWHCGFSZSA-N 1 0 386.323 2.628 20 0 GFADRO CC(C)(CNC(=O)C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1)c1ccc(Cl)c(Cl)c1 ZINC000419353416 563238424 /nfs/dbraw/zinc/23/84/24/563238424.db2.gz CFVGLLNMNXOKAD-DGCLKSJQSA-N 1 0 386.323 2.631 20 0 GFADRO CN(C)S(=O)(=O)c1ccc(OCC[N@@H+]2CCSC[C@H]2C2CCC2)cc1 ZINC000419368695 563239278 /nfs/dbraw/zinc/23/92/78/563239278.db2.gz XKWDRRWXCBWRAU-SFHVURJKSA-N 1 0 384.567 2.533 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)C(=O)NCC(C)(C)c2ccc(Cl)c(Cl)c2)CC[NH2+]1 ZINC000419365409 563239549 /nfs/dbraw/zinc/23/95/49/563239549.db2.gz UCCDEFZUSQEMKR-DGCLKSJQSA-N 1 0 386.323 2.644 20 0 GFADRO C[C@@H]1CN(C(=O)N[C@@H]2CCc3c2cccc3Br)[C@@H](C)C[N@@H+]1CCO ZINC000419438504 563239934 /nfs/dbraw/zinc/23/99/34/563239934.db2.gz HTYHEZGGULMTID-IIYDPXPESA-N 1 0 396.329 2.533 20 0 GFADRO O=C([C@@H](O)c1ccc(Cl)c(Cl)c1)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000295308255 563240903 /nfs/dbraw/zinc/24/09/03/563240903.db2.gz OQQKPMGEBXCNLG-DYVFJYSZSA-N 1 0 387.307 2.598 20 0 GFADRO CC(C)[NH+]1CCN(C2CCN(C(=O)c3ccoc3Br)CC2)CC1 ZINC000278119982 563241500 /nfs/dbraw/zinc/24/15/00/563241500.db2.gz SOTIVAMLAFIVGM-UHFFFAOYSA-N 1 0 384.318 2.673 20 0 GFADRO C[N@@H+]1CC[C@@H](CNC(=O)c2cc(Br)ccc2O)[C@@H]1c1cccnc1 ZINC000370395129 563242774 /nfs/dbraw/zinc/24/27/74/563242774.db2.gz HIBNMDBZVZFIHO-GUYCJALGSA-N 1 0 390.281 2.973 20 0 GFADRO CC(C)[NH+]1CCN([C@H]2CCN(C(=O)Cc3cccc(Br)c3)C2)CC1 ZINC000370426644 563243610 /nfs/dbraw/zinc/24/36/10/563243610.db2.gz YYYWROLQDWXKML-SFHVURJKSA-N 1 0 394.357 2.619 20 0 GFADRO Cn1ccnc1[C@@H]1N(S(=O)(=O)c2ccc(Cl)nc2Cl)CC1(C)C ZINC000295373340 563244700 /nfs/dbraw/zinc/24/47/00/563244700.db2.gz SSGDXLRFZPMGTL-NSHDSACASA-N 1 0 375.281 2.894 20 0 GFADRO C[NH+](C)C[C@@H]1CN(C(=O)c2c[nH]c(=O)c(Br)c2)c2ccccc2O1 ZINC000370495105 563245829 /nfs/dbraw/zinc/24/58/29/563245829.db2.gz QCHFQVYJWJOHME-GFCCVEGCSA-N 1 0 392.253 2.519 20 0 GFADRO C[N@@H+]1CC[C@@H]2CCN([C@@H]3CCN(c4cccc(Br)c4)C3=O)C[C@@H]21 ZINC000370501329 563246432 /nfs/dbraw/zinc/24/64/32/563246432.db2.gz VZFCQCQOSJEPIY-XYPHTWIQSA-N 1 0 378.314 2.580 20 0 GFADRO CC(C)(CNC(=O)C(=O)NCCC[NH2+]C1CC1)c1c(Cl)cccc1Cl ZINC000419697373 563246774 /nfs/dbraw/zinc/24/67/74/563246774.db2.gz QLBUPIDXTFYQSD-UHFFFAOYSA-N 1 0 386.323 2.646 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+][C@@H](CCO)c2ccc(Cl)cc2)cc1Cl ZINC000419704126 563246908 /nfs/dbraw/zinc/24/69/08/563246908.db2.gz GDHLGGQTJOWRRI-HNNXBMFYSA-N 1 0 389.304 2.854 20 0 GFADRO C[C@@H](NC(=O)C(=O)NC[C@H]([NH3+])c1ccccc1)c1ccc(Br)s1 ZINC000419705847 563247230 /nfs/dbraw/zinc/24/72/30/563247230.db2.gz JFPCSMDQBRCFPI-PWSUYJOCSA-N 1 0 396.310 2.504 20 0 GFADRO Cc1c(CNC(=O)C(=O)N2C[C@H](C[NH3+])C[C@@H]2C)sc2ccc(Cl)cc12 ZINC000419708977 563247540 /nfs/dbraw/zinc/24/75/40/563247540.db2.gz MNAOACKBBOHOJN-JQWIXIFHSA-N 1 0 379.913 2.675 20 0 GFADRO Cc1c2cc(Cl)ccc2sc1CNC(=O)C(=O)N[C@@H]1CCC[NH2+][C@H]1C ZINC000419721067 563247899 /nfs/dbraw/zinc/24/78/99/563247899.db2.gz YSMBXTZOZHBPBX-SMDDNHRTSA-N 1 0 379.913 2.736 20 0 GFADRO CN(C)c1ncc(CN[C@@H](CO)c2ccc(Cl)cc2C(F)(F)F)n1C ZINC000419725745 563248426 /nfs/dbraw/zinc/24/84/26/563248426.db2.gz JBTSBPYXMSVYET-AWEZNQCLSA-N 1 0 376.810 2.982 20 0 GFADRO COCC[C@@H]([NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1)C(C)(C)C ZINC000419731997 563248813 /nfs/dbraw/zinc/24/88/13/563248813.db2.gz RGAXJPFXKMBFBZ-CQSZACIVSA-N 1 0 393.347 2.637 20 0 GFADRO Cn1cc([C@H]2[C@H](C[NH2+]Cc3ccc(Br)s3)CC(=O)N2C)cn1 ZINC000370636042 563251195 /nfs/dbraw/zinc/25/11/95/563251195.db2.gz RSKDANIBERYDTI-ZUZCIYMTSA-N 1 0 383.315 2.553 20 0 GFADRO Cn1ncc(Br)c1CNC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000278362692 563251414 /nfs/dbraw/zinc/25/14/14/563251414.db2.gz JANIJPPNZBAEJE-MRXNPFEDSA-N 1 0 377.330 2.837 20 0 GFADRO CCC[C@H](O)[C@H](CO)[NH2+]Cc1cc(Br)c(OC(F)F)c(OC)c1 ZINC000419833815 563251916 /nfs/dbraw/zinc/25/19/16/563251916.db2.gz WJJARDDCCOZQCB-RYUDHWBXSA-N 1 0 398.244 2.671 20 0 GFADRO [NH3+][C@H]1CCC[C@H](NC(=O)C(=O)N(Cc2ccc(Cl)c(Cl)c2)C2CC2)C1 ZINC000419900773 563252308 /nfs/dbraw/zinc/25/23/08/563252308.db2.gz SYNULQWLEAITAE-STQMWFEESA-N 1 0 384.307 2.871 20 0 GFADRO O=C(NOCc1ccc(F)cc1Br)N[C@H]1CCc2[nH]cnc2C1 ZINC000370687666 563252431 /nfs/dbraw/zinc/25/24/31/563252431.db2.gz DGMVOOXSASVDFG-NSHDSACASA-N 1 0 383.221 2.600 20 0 GFADRO O=C(c1cccc(Cl)c1Cl)N1CC[NH+](C[C@@H]2CCNC(=O)CC2)CC1 ZINC000295542474 563253118 /nfs/dbraw/zinc/25/31/18/563253118.db2.gz OKTUPJASWRRVJV-ZDUSSCGKSA-N 1 0 384.307 2.668 20 0 GFADRO C[C@@H]1c2cc(Cl)cc(Cl)c2CCN1C(=O)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000419920692 563253208 /nfs/dbraw/zinc/25/32/08/563253208.db2.gz XABQJVMIUGCDON-NEPJUHHUSA-N 1 0 384.307 2.555 20 0 GFADRO C[NH+](C)CC[C@@](C)(O)CNC(=O)c1cc(F)c(Br)cc1Cl ZINC000419991149 563256095 /nfs/dbraw/zinc/25/60/95/563256095.db2.gz GSKYRKRQJOJRKG-CQSZACIVSA-N 1 0 381.673 2.674 20 0 GFADRO O=S(=O)(CC1CC(F)(F)C1)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000295655236 563256338 /nfs/dbraw/zinc/25/63/38/563256338.db2.gz HTHHAAITLQKFHB-UHFFFAOYSA-N 1 0 378.510 2.925 20 0 GFADRO CC(C)([NH3+])CNC(=O)C(=O)N(Cc1ccccc1Br)C1CCCC1 ZINC000420040878 563256848 /nfs/dbraw/zinc/25/68/48/563256848.db2.gz BHLTXQKMAGSQFO-UHFFFAOYSA-N 1 0 396.329 2.574 20 0 GFADRO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N1CCC(Sc2ccc(Cl)cc2)CC1 ZINC000420024834 563256894 /nfs/dbraw/zinc/25/68/94/563256894.db2.gz ZHIHGRBHBCCPJV-INIZCTEOSA-N 1 0 383.945 2.523 20 0 GFADRO Cc1[nH]c2ccc(Br)cc2c1CC(=O)NC[C@@](C)(O)CC[NH+](C)C ZINC000420045978 563257079 /nfs/dbraw/zinc/25/70/79/563257079.db2.gz QZKYXYPLHBWDDA-SFHVURJKSA-N 1 0 396.329 2.600 20 0 GFADRO C[NH+](C)CC[C@@](C)(O)CNC(=O)CCCCc1ccc(Br)cc1 ZINC000420054987 563257551 /nfs/dbraw/zinc/25/75/51/563257551.db2.gz YNHPHLDOCLDVDS-GOSISDBHSA-N 1 0 385.346 2.981 20 0 GFADRO CCn1cc(Br)cc1C(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000370839751 563257724 /nfs/dbraw/zinc/25/77/24/563257724.db2.gz RNQNUISWGPUEBJ-MRXNPFEDSA-N 1 0 397.361 2.511 20 0 GFADRO CC[NH2+][C@H](C)CNC(=O)C(=O)N1CCC[C@H]1c1ccc(Br)c(C)c1 ZINC000420153006 563258927 /nfs/dbraw/zinc/25/89/27/563258927.db2.gz FOXCEPKXRUIMOJ-CJNGLKHVSA-N 1 0 396.329 2.535 20 0 GFADRO COc1cc(OC)c(CC[NH2+]Cc2c(Br)cnn2C)c(OC)c1 ZINC000278516229 563259516 /nfs/dbraw/zinc/25/95/16/563259516.db2.gz PLMIXRBTMNPEMG-UHFFFAOYSA-N 1 0 384.274 2.541 20 0 GFADRO OCC[C@@]1([NH2+]Cc2ccc(Br)c(Br)c2)CCOC1 ZINC000278555555 563261298 /nfs/dbraw/zinc/26/12/98/563261298.db2.gz ZZRXUXQNCBRBOZ-CYBMUJFWSA-N 1 0 379.092 2.843 20 0 GFADRO CSCC[C@H](O)C(=O)N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000295773622 563261717 /nfs/dbraw/zinc/26/17/17/563261717.db2.gz IRNLUZBSPISORN-CABCVRRESA-N 1 0 376.444 2.510 20 0 GFADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1Cc1cnc2ccc(Br)cn12 ZINC000278587623 563262533 /nfs/dbraw/zinc/26/25/33/563262533.db2.gz HWIKLNYNYCPQDV-CQSZACIVSA-N 1 0 393.329 2.782 20 0 GFADRO CN(Cc1cc(Br)cs1)C(=O)CN1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420371219 563262552 /nfs/dbraw/zinc/26/25/52/563262552.db2.gz LPLBYGVVJHGBNX-MRXNPFEDSA-N 1 0 386.359 2.545 20 0 GFADRO Cc1cc(I)ccc1NC(=O)CN[C@H](C[NH3+])C(C)(C)C ZINC000420363031 563262974 /nfs/dbraw/zinc/26/29/74/563262974.db2.gz NQEJACLDRYHWCN-CYBMUJFWSA-N 1 0 389.281 2.501 20 0 GFADRO CC1(C)C[NH2+]CC[C@@H]1NS(=O)(=O)c1cc(Cl)ccc1Br ZINC000420458543 563264467 /nfs/dbraw/zinc/26/44/67/563264467.db2.gz JAEPYQDKOSSRGC-LBPRGKRZSA-N 1 0 381.723 2.769 20 0 GFADRO [NH3+][C@@H]1Cc2ccccc2N(S(=O)(=O)Cc2ccc(Br)cc2)C1 ZINC000420471266 563265107 /nfs/dbraw/zinc/26/51/07/563265107.db2.gz ACTLWSKKOOUXAQ-OAHLLOKOSA-N 1 0 381.295 2.669 20 0 GFADRO COC(=O)c1coc([C@@H](C)[NH2+]C[C@H](O)COc2ccccc2Br)c1 ZINC000278662916 563265448 /nfs/dbraw/zinc/26/54/48/563265448.db2.gz ITUJEXSAZUHNIF-YPMHNXCESA-N 1 0 398.253 2.919 20 0 GFADRO C[C@@H]1CN(C(=O)c2ccc(Br)s2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000371219996 563269201 /nfs/dbraw/zinc/26/92/01/563269201.db2.gz OJEGDMHWYORAIR-OLZOCXBDSA-N 1 0 386.359 2.609 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2C(=O)COc1ccccc1Br ZINC000371242923 563269870 /nfs/dbraw/zinc/26/98/70/563269870.db2.gz QMDQIOBDIPOQCB-UKPHBRMFSA-N 1 0 397.313 2.538 20 0 GFADRO C[N@H+](CCCCCO)C[C@H](O)COc1ccc(Cl)cc1Br ZINC000278810956 563271175 /nfs/dbraw/zinc/27/11/75/563271175.db2.gz GPHZZVPILMCJGU-ZDUSSCGKSA-N 1 0 380.710 2.937 20 0 GFADRO COC(=O)c1sc(S(=O)(=O)N2CCC[C@H]([NH+](C)C)CC2)c(C)c1Cl ZINC000278806393 563271416 /nfs/dbraw/zinc/27/14/16/563271416.db2.gz NHCQGPPLXXKTOG-NSHDSACASA-N 1 0 394.946 2.601 20 0 GFADRO COc1cc(Br)c(CN2CCC[C@@H](c3nnc[nH]3)C2)c(OC)c1 ZINC000371334677 563273010 /nfs/dbraw/zinc/27/30/10/563273010.db2.gz HJZJTNLFJJCUCV-LLVKDONJSA-N 1 0 381.274 2.964 20 0 GFADRO C[C@@H](CCNS(=O)(=O)c1cc(F)ccc1OC(F)F)[NH+]1CCCCC1 ZINC000420683021 563274083 /nfs/dbraw/zinc/27/40/83/563274083.db2.gz BLBPFOXPHNRSIF-LBPRGKRZSA-N 1 0 380.432 2.970 20 0 GFADRO Cc1ccc(NC(=O)N2CC[N@H+](C3CCOCC3)C[C@H]2C)c(Br)n1 ZINC000278954354 563277788 /nfs/dbraw/zinc/27/77/88/563277788.db2.gz ZFUJKACHWUINEC-CYBMUJFWSA-N 1 0 397.317 2.870 20 0 GFADRO O=S1(=O)CC[C@]2(C1)C[C@H]([NH2+]Cc1cnc(-c3cccs3)s1)CCO2 ZINC000371509486 563279966 /nfs/dbraw/zinc/27/99/66/563279966.db2.gz PPPAEPGGLIBCNY-MLGOLLRUSA-N 1 0 384.548 2.698 20 0 GFADRO C[NH+](C)C1CCC(NS(=O)(=O)Cc2ccc(Br)cc2)CC1 ZINC000420752523 563283803 /nfs/dbraw/zinc/28/38/03/563283803.db2.gz YSWWHYWHXPWEQH-UHFFFAOYSA-N 1 0 375.332 2.741 20 0 GFADRO Cc1nn(C)c(C[NH2+]C[C@H]2CC(=O)N(Cc3ccccc3)C2)c1Br ZINC000279101242 563283989 /nfs/dbraw/zinc/28/39/89/563283989.db2.gz JISIXJLIVSCESY-OAHLLOKOSA-N 1 0 391.313 2.629 20 0 GFADRO O=S1(=O)CC[C@@](O)(C[NH2+][C@H]2CCCc3cc(SC(F)F)ccc32)C1 ZINC000296409885 563286671 /nfs/dbraw/zinc/28/66/71/563286671.db2.gz KVAADARWRFBUTE-GOEBONIOSA-N 1 0 377.478 2.518 20 0 GFADRO COc1cccc(N2CC[C@H]([NH2+]Cc3c(Br)c(C)nn3C)C2)c1 ZINC000279208882 563287850 /nfs/dbraw/zinc/28/78/50/563287850.db2.gz VXBPRJJBUFOQTJ-ZDUSSCGKSA-N 1 0 379.302 2.868 20 0 GFADRO CC1(C)[C@H]([NH2+]CCS(=O)(=O)c2cccc(Br)c2)[C@H]2CCO[C@@H]21 ZINC000296489468 563289016 /nfs/dbraw/zinc/28/90/16/563289016.db2.gz YSWLGBSNOTZORK-KFWWJZLASA-N 1 0 388.327 2.626 20 0 GFADRO O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1c(F)cccc1I ZINC000371934373 563291928 /nfs/dbraw/zinc/29/19/28/563291928.db2.gz SJMWGBOKLOUKHM-QWRGUYRKSA-N 1 0 388.224 2.787 20 0 GFADRO CN(Cc1nc(Cc2cccc(Br)c2)no1)C[C@@H]1CCC[N@@H+]1C ZINC000420999772 563293220 /nfs/dbraw/zinc/29/32/20/563293220.db2.gz JSFSTSHWYGZISI-HNNXBMFYSA-N 1 0 379.302 2.949 20 0 GFADRO COC1([C@@H](C)[NH2+]C[C@@H](O)COc2c(Cl)cccc2Cl)CCOCC1 ZINC000421027219 563293436 /nfs/dbraw/zinc/29/34/36/563293436.db2.gz GLXPBCDGZBJCEW-CHWSQXEVSA-N 1 0 378.296 2.907 20 0 GFADRO C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)N(C)C[C@H]1CCC[N@@H+]1C ZINC000420994017 563293463 /nfs/dbraw/zinc/29/34/63/563293463.db2.gz BQVSXRHVTSGZES-WMLDXEAASA-N 1 0 382.346 2.822 20 0 GFADRO CN(C)S(=O)(=O)CCC[N@@H+]1CCC[C@H]1Cc1ccccc1Br ZINC000420981594 563293636 /nfs/dbraw/zinc/29/36/36/563293636.db2.gz YQRJVOTXRZNTPT-HNNXBMFYSA-N 1 0 389.359 2.738 20 0 GFADRO COC1([C@H](C)[NH2+]CCC(=O)Nc2cccc(Br)c2)CCOCC1 ZINC000421033359 563294225 /nfs/dbraw/zinc/29/42/25/563294225.db2.gz MSWXVILNRXHCQB-ZDUSSCGKSA-N 1 0 385.302 2.951 20 0 GFADRO [NH3+][C@H]1CN(S(=O)(=O)c2cnc3ccsc3c2)C[C@@H]1c1ccc(F)cc1 ZINC000372179514 563297634 /nfs/dbraw/zinc/29/76/34/563297634.db2.gz NYUPNAFVDPCNBQ-CABCVRRESA-N 1 0 377.466 2.551 20 0 GFADRO COc1cc(Cl)c(S(=O)(=O)N(C2CC2)C2CC[NH2+]CC2)cc1Cl ZINC000372176602 563297863 /nfs/dbraw/zinc/29/78/63/563297863.db2.gz UVSVMVXVAIIXNB-UHFFFAOYSA-N 1 0 379.309 2.907 20 0 GFADRO CO[C@@H](CC(C)C)CS(=O)(=O)Nc1ccc(OCC[NH+](C)C)c(F)c1 ZINC000421168351 563299347 /nfs/dbraw/zinc/29/93/47/563299347.db2.gz XYYUJXLAOFMSMW-HNNXBMFYSA-N 1 0 376.494 2.569 20 0 GFADRO O=C(NCc1cc(Br)ccc1OC(F)F)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000372425493 563306058 /nfs/dbraw/zinc/30/60/58/563306058.db2.gz IIXKRDXTPFLXMB-XHDPSFHLSA-N 1 0 375.213 2.666 20 0 GFADRO Cc1nc2ccc(Br)cn2c1C(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000279716268 563307555 /nfs/dbraw/zinc/30/75/55/563307555.db2.gz AWVYDLXAVHXXEW-RISCZKNCSA-N 1 0 379.302 2.960 20 0 GFADRO CCCN1C[C@H](C[NH2+]Cc2cc(Br)c3c(c2)OCCCO3)CC1=O ZINC000421345318 563308078 /nfs/dbraw/zinc/30/80/78/563308078.db2.gz AMKQIQFNISJOFZ-AWEZNQCLSA-N 1 0 397.313 2.959 20 0 GFADRO Cc1nc2ccc(Br)cn2c1C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000279725051 563308246 /nfs/dbraw/zinc/30/82/46/563308246.db2.gz CBYDOYQHGCTHRK-UKRRQHHQSA-N 1 0 391.313 2.962 20 0 GFADRO Cn1nc(-c2ccc(Cl)s2)cc1NC(=O)NCC[N@@H+]1CCCOCC1 ZINC000279750730 563308862 /nfs/dbraw/zinc/30/88/62/563308862.db2.gz PZQCODZUZZXOAS-UHFFFAOYSA-N 1 0 383.905 2.646 20 0 GFADRO COc1cc(Br)c(C[NH2+]C[C@H]2CC[C@H](C(N)=O)CC2)c(OC)c1 ZINC000421369184 563308910 /nfs/dbraw/zinc/30/89/10/563308910.db2.gz YCMSSFRCEGNTBR-HAQNSBGRSA-N 1 0 385.302 2.848 20 0 GFADRO CN(Cc1ccc(Br)cc1N1CCOCC1)C[C@H]1CCC[N@@H+]1C ZINC000421412462 563309246 /nfs/dbraw/zinc/30/92/46/563309246.db2.gz SPODDXACLKSTTP-QGZVFWFLSA-N 1 0 382.346 2.812 20 0 GFADRO O=C(Nc1c(F)cc(Br)cc1F)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000296990673 563311659 /nfs/dbraw/zinc/31/16/59/563311659.db2.gz RTTOYJPXQYHYQV-NSHDSACASA-N 1 0 392.244 2.696 20 0 GFADRO CC[C@@H](C)[NH+]1CCN(C(=O)Nc2cccc(C(=O)NC)c2Br)CC1 ZINC000297000408 563312458 /nfs/dbraw/zinc/31/24/58/563312458.db2.gz KDIDZVRVFWZARA-GFCCVEGCSA-N 1 0 397.317 2.757 20 0 GFADRO CC[C@@H](C)[NH+]1CCN(C(=O)c2cccnc2-n2cc(Br)cn2)CC1 ZINC000297014177 563312796 /nfs/dbraw/zinc/31/27/96/563312796.db2.gz RGQTZUAXSPRHED-CYBMUJFWSA-N 1 0 392.301 2.586 20 0 GFADRO O=C(NCC[N@H+]1CC=CCC1)c1ncc(Br)cc1Br ZINC000279910834 563314488 /nfs/dbraw/zinc/31/44/88/563314488.db2.gz FNDMFJIETXMUEN-UHFFFAOYSA-N 1 0 389.091 2.598 20 0 GFADRO CC[C@@H](NC(=O)NCC1CC[NH+](Cc2cccs2)CC1)[C@H](O)C(F)F ZINC000297163846 563317967 /nfs/dbraw/zinc/31/79/67/563317967.db2.gz JNBFQQNQVKQHES-CABCVRRESA-N 1 0 375.485 2.664 20 0 GFADRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)c1cn(-c2ccc(Br)cc2)cn1 ZINC000421708793 563319319 /nfs/dbraw/zinc/31/93/19/563319319.db2.gz AWFHFUOKULWFEW-OAHLLOKOSA-N 1 0 377.286 2.801 20 0 GFADRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)c1ccc(I)cc1F ZINC000421710798 563319562 /nfs/dbraw/zinc/31/95/62/563319562.db2.gz MLHXKHOAVPQTLX-NSHDSACASA-N 1 0 376.213 2.597 20 0 GFADRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)c1ncc(Br)cc1Br ZINC000421710494 563319850 /nfs/dbraw/zinc/31/98/50/563319850.db2.gz KXMZEMUHHAFNOO-SNVBAGLBSA-N 1 0 391.107 2.773 20 0 GFADRO Cn1ccc(N2CC[C@@H]([NH2+]C3CC(c4cccc(Br)c4)C3)C2=O)n1 ZINC000372868088 563320297 /nfs/dbraw/zinc/32/02/97/563320297.db2.gz IZXKLYXIMHKJLB-AVVWSFFYSA-N 1 0 389.297 2.824 20 0 GFADRO C[C@@H](NC[C@@H](C)[N@H+](C)C1CC1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000280093780 563321725 /nfs/dbraw/zinc/32/17/25/563321725.db2.gz MPYZVDZBVGMZRU-NXEZZACHSA-N 1 0 380.341 2.774 20 0 GFADRO C[C@@H](NC(=O)Nc1ccnn1CC[NH+](C)C)c1nc(C(F)(F)F)cs1 ZINC000297338644 563323662 /nfs/dbraw/zinc/32/36/62/563323662.db2.gz JLLZMRREPSCOJM-SECBINFHSA-N 1 0 376.408 2.803 20 0 GFADRO C[C@@H]([NH2+]CC1(CC(N)=O)CC1)c1ccc(F)c(I)c1 ZINC000421895402 563324050 /nfs/dbraw/zinc/32/40/50/563324050.db2.gz YMORZNFJIVCKBI-SECBINFHSA-N 1 0 376.213 2.737 20 0 GFADRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)Nc1nc2cc(Br)ccn2n1 ZINC000297355384 563324072 /nfs/dbraw/zinc/32/40/72/563324072.db2.gz QOAXISVAJHUYFM-YPMHNXCESA-N 1 0 393.289 2.582 20 0 GFADRO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1nc2cc(Br)ccn2n1 ZINC000297344329 563324456 /nfs/dbraw/zinc/32/44/56/563324456.db2.gz OVBJNHZREULRDM-CHWSQXEVSA-N 1 0 393.289 2.582 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)Nc1nnc(C2CCOCC2)s1)c1cccs1 ZINC000297423464 563326545 /nfs/dbraw/zinc/32/65/45/563326545.db2.gz OORLRNNHQLRBDP-GFCCVEGCSA-N 1 0 381.527 2.918 20 0 GFADRO C[C@@H](CO)[N@@H+]1CCCN(C(=O)Nc2cc3c(cc2Br)CCC3)CC1 ZINC000373163245 563330429 /nfs/dbraw/zinc/33/04/29/563330429.db2.gz KAARLFROTDULNM-ZDUSSCGKSA-N 1 0 396.329 2.858 20 0 GFADRO CN1CCC2(CC[NH+](Cc3cc4c(cc3Br)OCCO4)CC2)C1=O ZINC000373174291 563330723 /nfs/dbraw/zinc/33/07/23/563330723.db2.gz UKFLJBFETOSZTP-UHFFFAOYSA-N 1 0 395.297 2.665 20 0 GFADRO COc1ccc2c(c1)[C@@H]([NH3+])CCN2S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000373182953 563331424 /nfs/dbraw/zinc/33/14/24/563331424.db2.gz MWAARTUFNSDVKG-ZDUSSCGKSA-N 1 0 388.276 2.996 20 0 GFADRO Cn1ccc(N2CC[C@H]([NH2+]C3CC(c4ccc(Br)cc4)C3)C2=O)n1 ZINC000373364511 563336059 /nfs/dbraw/zinc/33/60/59/563336059.db2.gz JXROJRASZVQGMG-BCLQGDPASA-N 1 0 389.297 2.824 20 0 GFADRO C[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000422283834 563336393 /nfs/dbraw/zinc/33/63/93/563336393.db2.gz NYPKIQHXONUHPC-IUODEOHRSA-N 1 0 386.323 2.593 20 0 GFADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N(C)Cc2ccc(Cl)c(Cl)c2)C1 ZINC000297928665 563339976 /nfs/dbraw/zinc/33/99/76/563339976.db2.gz UOBXXXSPJAADKG-AWEZNQCLSA-N 1 0 386.323 2.752 20 0 GFADRO O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1cnnn1-c1c(Cl)cccc1Cl ZINC000373552107 563342511 /nfs/dbraw/zinc/34/25/11/563342511.db2.gz NRPLHCXHCNXEQP-RYUDHWBXSA-N 1 0 380.279 2.931 20 0 GFADRO CCOC(=O)C1CCC(O)(C[NH2+][C@H](C)c2ccc(Br)cn2)CC1 ZINC000280547048 563342632 /nfs/dbraw/zinc/34/26/32/563342632.db2.gz QDHDNRXMAXOFOJ-SFYCDEOASA-N 1 0 385.302 2.979 20 0 GFADRO O=C(N[C@H]1COc2cc(F)c(Br)cc21)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000373584902 563342833 /nfs/dbraw/zinc/34/28/33/563342833.db2.gz WBKHNFYOHWLQON-HFAKWTLXSA-N 1 0 398.276 2.948 20 0 GFADRO CC(C)(CC[NH3+])NC(=O)Nc1ccc(-c2ccc(Br)s2)nn1 ZINC000422565606 563343215 /nfs/dbraw/zinc/34/32/15/563343215.db2.gz NBLUOUKZZFEAEK-UHFFFAOYSA-N 1 0 384.303 3.217 20 0 GFADRO C[C@H](CO)[N@@H+]1CCCN(C(=O)c2cc(F)c(Br)cc2Cl)CC1 ZINC000373577117 563343247 /nfs/dbraw/zinc/34/32/47/563343247.db2.gz MMJUJGUNGVWLOE-SNVBAGLBSA-N 1 0 393.684 2.770 20 0 GFADRO C[C@@H](NC(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1)c1ccc(Br)cn1 ZINC000280566201 563343689 /nfs/dbraw/zinc/34/36/89/563343689.db2.gz LHRHTSAZDDVOQZ-UONOGXRCSA-N 1 0 399.333 2.705 20 0 GFADRO C[C@H](NC(=O)NC(C)(C)CC[NH3+])c1cc2c(cc1Br)OCCO2 ZINC000422593082 563344514 /nfs/dbraw/zinc/34/45/14/563344514.db2.gz FWOXBVDRDDXGIC-JTQLQIEISA-N 1 0 386.290 2.708 20 0 GFADRO C[C@@H]1C[C@H](C)N(CC(=O)Nc2c(F)cc(F)cc2Br)C[C@@H]1C[NH3+] ZINC000422639412 563345478 /nfs/dbraw/zinc/34/54/78/563345478.db2.gz SSGRSWAITMPAPN-VWYCJHECSA-N 1 0 390.272 2.971 20 0 GFADRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)N(C)Cc1c(Cl)cccc1Cl ZINC000298151810 563346112 /nfs/dbraw/zinc/34/61/12/563346112.db2.gz YYRRWNGHRPNDEG-MLGOLLRUSA-N 1 0 386.323 2.750 20 0 GFADRO CCOC(=O)[C@@H]1NCC[C@H]1[NH2+]C[C@@H](C)Sc1ccc(Br)cc1 ZINC000422959121 563351640 /nfs/dbraw/zinc/35/16/40/563351640.db2.gz QTFQCFGSOUDNQO-KCPJHIHWSA-N 1 0 387.343 2.813 20 0 GFADRO O=c1nc(C2CC[NH+](Cc3ccc(Br)c4cccnc34)CC2)[nH][nH]1 ZINC000280729726 563351864 /nfs/dbraw/zinc/35/18/64/563351864.db2.gz CXCGMFKZKILDRW-UHFFFAOYSA-N 1 0 388.269 2.788 20 0 GFADRO CC(C)[C@H](C(=O)N1CCN(C(=O)c2cccc(Cl)c2Cl)CC1)[C@H](C)[NH3+] ZINC000422998307 563352682 /nfs/dbraw/zinc/35/26/82/563352682.db2.gz WKJYLSLXPKZNEG-WFASDCNBSA-N 1 0 386.323 2.897 20 0 GFADRO CCOC(=O)[C@@H]1NCC[C@H]1[NH2+][C@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000423045560 563353550 /nfs/dbraw/zinc/35/35/50/563353550.db2.gz CEMJKPBUMKMSGB-OWCLPIDISA-N 1 0 385.277 2.923 20 0 GFADRO [NH3+][C@@H](CC1CCCCC1)C(=O)NCCNC(=O)c1ccc(Br)cc1 ZINC000423065862 563353974 /nfs/dbraw/zinc/35/39/74/563353974.db2.gz VKLUQKSYFQFKGD-INIZCTEOSA-N 1 0 396.329 2.593 20 0 GFADRO C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000423080993 563354419 /nfs/dbraw/zinc/35/44/19/563354419.db2.gz CDAIIUZCPBZUTN-UPJWGTAASA-N 1 0 384.307 2.581 20 0 GFADRO C[NH2+]CC1CCN(C(=O)C(=O)N(C)[C@H](C)c2ccc(Cl)cc2Cl)CC1 ZINC000423089663 563354787 /nfs/dbraw/zinc/35/47/87/563354787.db2.gz SQTGFBMFPIGEFB-GFCCVEGCSA-N 1 0 386.323 2.971 20 0 GFADRO COCC[NH+]1CCC(NC(=O)Cc2sc(SC(F)(F)F)nc2C)CC1 ZINC000280810044 563355088 /nfs/dbraw/zinc/35/50/88/563355088.db2.gz QNDUOTUCXDBBFI-UHFFFAOYSA-N 1 0 397.488 2.833 20 0 GFADRO C[C@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)C(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000423109548 563355483 /nfs/dbraw/zinc/35/54/83/563355483.db2.gz HQAQOKNHJRQMAF-KWCYVHTRSA-N 1 0 384.307 2.581 20 0 GFADRO CCC(CC)[C@@H](O)C[NH2+][C@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000280823742 563355948 /nfs/dbraw/zinc/35/59/48/563355948.db2.gz WXGFLUDZGQDYPI-YGRLFVJLSA-N 1 0 393.347 2.544 20 0 GFADRO CCCS(=O)(=O)Nc1cc(NC(=O)[C@@H](C(C)C)[C@@H](C)[NH3+])c(F)cc1F ZINC000423126486 563356448 /nfs/dbraw/zinc/35/64/48/563356448.db2.gz IVXRMHKIBANTMX-BMIGLBTASA-N 1 0 377.457 2.674 20 0 GFADRO Cc1cc(NC(=O)CNC(=O)[C@@H]2[NH2+]CCCC2(C)C)ccc1Br ZINC000423130069 563357018 /nfs/dbraw/zinc/35/70/18/563357018.db2.gz YAKOCVXCCHDQGR-HNNXBMFYSA-N 1 0 382.302 2.590 20 0 GFADRO CC1(C)CCC[NH2+][C@H]1C(=O)NCCc1ccc(I)s1 ZINC000423130236 563357245 /nfs/dbraw/zinc/35/72/45/563357245.db2.gz GFZNUTYUUKZESS-LBPRGKRZSA-N 1 0 392.306 2.790 20 0 GFADRO COc1ccc(Br)cc1C[C@@H](CO)CN[C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000423161697 563357818 /nfs/dbraw/zinc/35/78/18/563357818.db2.gz OCKQVIVGUOYHPS-VBQJREDUSA-N 1 0 385.346 2.729 20 0 GFADRO CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000423173825 563357907 /nfs/dbraw/zinc/35/79/07/563357907.db2.gz AFNYFJYAZWZMAY-OKILXGFUSA-N 1 0 384.307 2.695 20 0 GFADRO C[C@]1(C[NH3+])CCN(C(=O)C(=O)N(Cc2ccc(Cl)c(Cl)c2)C2CC2)C1 ZINC000423168113 563358060 /nfs/dbraw/zinc/35/80/60/563358060.db2.gz GSZIEEMMXDXQAN-GOSISDBHSA-N 1 0 384.307 2.682 20 0 GFADRO COCCC[C@H]([NH2+]CC(=O)NCC(F)F)c1ccc(Br)cc1 ZINC000280860015 563358204 /nfs/dbraw/zinc/35/82/04/563358204.db2.gz NDUAWAFAAWCMGS-ZDUSSCGKSA-N 1 0 379.245 2.888 20 0 GFADRO [NH3+][C@H](C(=O)Nc1ccc(CCn2cc(Br)cn2)cc1)C1CCC1 ZINC000423237530 563359268 /nfs/dbraw/zinc/35/92/68/563359268.db2.gz UHTDOOXXEORRGS-INIZCTEOSA-N 1 0 377.286 2.954 20 0 GFADRO Cc1c([C@H](C)N[C@@H]2CC[NH2+]C[C@H]2C)nnn1-c1cccc(Br)c1 ZINC000423361354 563360546 /nfs/dbraw/zinc/36/05/46/563360546.db2.gz AFIBQRIIWBXUFC-BFQNTYOBSA-N 1 0 378.318 2.987 20 0 GFADRO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N2CCc3cc(Cl)cc(Cl)c3[C@H]2C)C1 ZINC000423547374 563362233 /nfs/dbraw/zinc/36/22/33/563362233.db2.gz GBCCOWATCNVGMB-NEPJUHHUSA-N 1 0 384.307 2.507 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000423747680 563363436 /nfs/dbraw/zinc/36/34/36/563363436.db2.gz QQEPLZAXSLAOOG-JSGCOSHPSA-N 1 0 377.286 2.800 20 0 GFADRO O=C(CC[NH+]1CCC(c2nc(=O)[nH][nH]2)CC1)Nc1cc(Cl)ccc1Cl ZINC000298667600 563363460 /nfs/dbraw/zinc/36/34/60/563363460.db2.gz YIIOMPPETXRSLO-UHFFFAOYSA-N 1 0 384.267 2.613 20 0 GFADRO C[NH+](C)CC1(NC(=O)Cc2csc(NC(=O)c3cccs3)n2)CCC1 ZINC000281014915 563363520 /nfs/dbraw/zinc/36/35/20/563363520.db2.gz FXAOJQIKHKVHEG-UHFFFAOYSA-N 1 0 378.523 2.600 20 0 GFADRO C[C@H]1CC[NH2+][C@H](C(=O)NCc2nc(-c3cccc(Br)c3)no2)C1 ZINC000423927363 563364103 /nfs/dbraw/zinc/36/41/03/563364103.db2.gz INAYOGHHKDKGHK-GWCFXTLKSA-N 1 0 379.258 2.503 20 0 GFADRO O=S(=O)(c1ccc(F)cc1C(F)(F)F)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000374181511 563364533 /nfs/dbraw/zinc/36/45/33/563364533.db2.gz CERJUUCLXSCMTB-AWEZNQCLSA-N 1 0 380.407 2.997 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)N(C)[C@H](C[NH3+])C1CC1 ZINC000423944271 563365021 /nfs/dbraw/zinc/36/50/21/563365021.db2.gz HKQZWTZERYZGFH-DZGCQCFKSA-N 1 0 384.567 2.547 20 0 GFADRO O=C(c1ccccc1I)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000423964506 563365743 /nfs/dbraw/zinc/36/57/43/563365743.db2.gz QHWPYGXPEMQISB-WFASDCNBSA-N 1 0 384.261 2.895 20 0 GFADRO CCCCC(=O)N1CSC[C@H]1C(=O)Nc1nc(C2CC[NH2+]CC2)cs1 ZINC000423978619 563366261 /nfs/dbraw/zinc/36/62/61/563366261.db2.gz MSXRCNBGFUGXFL-AWEZNQCLSA-N 1 0 382.555 2.640 20 0 GFADRO C[C@@H]1CN(C(=O)[C@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)C[C@@]1(C)C[NH3+] ZINC000423987960 563366566 /nfs/dbraw/zinc/36/65/66/563366566.db2.gz XCLFEPOWMSXODK-AEDCBLDQSA-N 1 0 384.307 2.790 20 0 GFADRO [NH3+][C@@H]1CN(C(=O)COc2ccccc2Br)C[C@H]1c1cccc(F)c1 ZINC000424011650 563367050 /nfs/dbraw/zinc/36/70/50/563367050.db2.gz NSBNZEROOCHZGS-GOEBONIOSA-N 1 0 393.256 2.920 20 0 GFADRO COc1ccc(Br)cc1C(=O)CCC(=O)N1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000424004907 563367095 /nfs/dbraw/zinc/36/70/95/563367095.db2.gz FIYCOBFBGHSRTE-QWHCGFSZSA-N 1 0 397.313 2.864 20 0 GFADRO CS(=O)(=O)N1CCN(C[C@H](O)c2ccc(Cl)cc2)Cc2ccccc21 ZINC000374310803 563367493 /nfs/dbraw/zinc/36/74/93/563367493.db2.gz NEZOIRWREOFABQ-SFHVURJKSA-N 1 0 380.897 2.655 20 0 GFADRO Cc1cc(C(=O)N2CCCO[C@@H](C[NH3+])C2)nn1-c1ccc(Cl)cc1Cl ZINC000424024798 563368022 /nfs/dbraw/zinc/36/80/22/563368022.db2.gz RKECSBJGHJTCNT-ZDUSSCGKSA-N 1 0 383.279 2.677 20 0 GFADRO Cc1nn(CCS(C)(=O)=O)c(C)c1C[NH2+]C1(c2cccc(Cl)c2)CC1 ZINC000281322919 563373139 /nfs/dbraw/zinc/37/31/39/563373139.db2.gz PJLTVKZUAARBMY-UHFFFAOYSA-N 1 0 381.929 2.977 20 0 GFADRO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)c1cc(F)cc(Br)c1 ZINC000299023045 563373164 /nfs/dbraw/zinc/37/31/64/563373164.db2.gz CATRHSVHTYBFLF-UHFFFAOYSA-N 1 0 386.309 2.686 20 0 GFADRO C[N@H+](Cc1ccc(I)c(Cl)c1)C1(CO)CCOCC1 ZINC000281349391 563374352 /nfs/dbraw/zinc/37/43/52/563374352.db2.gz RMNGRRDNEBWKDA-UHFFFAOYSA-N 1 0 395.668 2.918 20 0 GFADRO C[C@H]1CC2(CN1C(=O)Cc1ccc(I)cc1)CC[NH2+]CC2 ZINC000424248877 563375174 /nfs/dbraw/zinc/37/51/74/563375174.db2.gz XTHYPMGTOCPVKK-ZDUSSCGKSA-N 1 0 398.288 2.824 20 0 GFADRO COc1cc2[nH+]ccc(N3CC[C@](C)([NH2+]CC(=O)[O-])C3)c2cc1Br ZINC000424381794 563377166 /nfs/dbraw/zinc/37/71/66/563377166.db2.gz ZPROXBAALVNJRD-KRWDZBQOSA-N 1 0 394.269 2.649 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)c3cc(=O)[nH]c4ccc(Br)cc43)C[C@H]21 ZINC000374632703 563377954 /nfs/dbraw/zinc/37/79/54/563377954.db2.gz SIIDLPQZWUZSKX-VCTAVGKDSA-N 1 0 390.281 2.902 20 0 GFADRO C[N@@H+]1CCN(CCNC(=O)c2cc(-c3ccc(Cl)s3)on2)CC1(C)C ZINC000281668720 563382398 /nfs/dbraw/zinc/38/23/98/563382398.db2.gz DBMYCWHXLRYRCQ-UHFFFAOYSA-N 1 0 382.917 2.812 20 0 GFADRO CN(CC1CC[NH+](C)CC1)C(=O)C(=O)Nc1cc(Cl)c(Cl)cc1F ZINC000281669557 563383268 /nfs/dbraw/zinc/38/32/68/563383268.db2.gz LGCHIZBSOMKSPD-UHFFFAOYSA-N 1 0 376.259 2.871 20 0 GFADRO COc1ncc(C(=O)N(CC[NH+](C)C)Cc2ccc(C)o2)cc1Br ZINC000424609196 563383697 /nfs/dbraw/zinc/38/36/97/563383697.db2.gz ACBLSLQQJBMWKM-UHFFFAOYSA-N 1 0 396.285 2.958 20 0 GFADRO C[N@@H+]1CCN(CCNC(=O)c2ccc(C(F)(F)F)nc2Cl)CC1(C)C ZINC000281695885 563383706 /nfs/dbraw/zinc/38/37/06/563383706.db2.gz GMGNVJNDCRRPLH-UHFFFAOYSA-N 1 0 378.826 2.510 20 0 GFADRO CS(=O)(=O)N1CC[C@H](C[N@@H+]2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)C1 ZINC000374913760 563385918 /nfs/dbraw/zinc/38/59/18/563385918.db2.gz OMEMZAAFUCUAPE-NEPJUHHUSA-N 1 0 397.488 2.623 20 0 GFADRO O=C(C[NH2+]C1(c2ccc(Cl)c(Cl)c2)CC1)N1CCC2(CC1)OCCO2 ZINC000299653498 563388000 /nfs/dbraw/zinc/38/80/00/563388000.db2.gz TVVGJMHBEQEQNU-UHFFFAOYSA-N 1 0 385.291 2.938 20 0 GFADRO C[N@@H+]1CCN(CCNC(=O)c2c[nH]c3cccc(Br)c23)CC1(C)C ZINC000281899382 563389793 /nfs/dbraw/zinc/38/97/93/563389793.db2.gz YYLVTWQIMTWRSQ-UHFFFAOYSA-N 1 0 393.329 2.686 20 0 GFADRO C[N@@H+]1CC[C@H]2CCN(C(=O)Cc3noc4ccc(Br)cc43)[C@H]2C1 ZINC000424784463 563391482 /nfs/dbraw/zinc/39/14/82/563391482.db2.gz KGVXRMYZNQTODP-NHYWBVRUSA-N 1 0 378.270 2.685 20 0 GFADRO Brc1cnc(NCCCN2CC[NH+](Cc3ccccc3)CC2)nc1 ZINC000301181756 563395851 /nfs/dbraw/zinc/39/58/51/563395851.db2.gz QFWSTFYHNGBHJV-UHFFFAOYSA-N 1 0 390.329 2.859 20 0 GFADRO C[C@H](NC(=O)C[NH2+][C@H]1CCC(=O)N[C@@H]1C1CC1)c1ccc(Cl)cc1Cl ZINC000375351043 563401301 /nfs/dbraw/zinc/40/13/01/563401301.db2.gz BKNMYUSSUFZEJR-XIWSCHCOSA-N 1 0 384.307 2.817 20 0 GFADRO Cc1ncncc1C(=O)Nc1cc(Br)ccc1N(C)CC[NH+](C)C ZINC000425100369 563404711 /nfs/dbraw/zinc/40/47/11/563404711.db2.gz UEHZHNBNHLOTEB-UHFFFAOYSA-N 1 0 392.301 2.798 20 0 GFADRO C[C@@H](CCNc1cnn(C)c(=O)c1Br)[N@H+](C)Cc1ccccc1 ZINC000301486970 563405065 /nfs/dbraw/zinc/40/50/65/563405065.db2.gz YFJUPUFATHIGEP-ZDUSSCGKSA-N 1 0 379.302 2.865 20 0 GFADRO CC[NH+]1CCN(CCC(=O)N[C@H]2CCOc3c(Cl)c(Cl)ccc32)CC1 ZINC000375423141 563405192 /nfs/dbraw/zinc/40/51/92/563405192.db2.gz AYOSWYHVYASZQO-HNNXBMFYSA-N 1 0 386.323 2.961 20 0 GFADRO CN(CC[NH+](C)C)c1ccc(Br)cc1NC(=O)c1csnn1 ZINC000425101195 563405509 /nfs/dbraw/zinc/40/55/09/563405509.db2.gz YPZWALLOQXLIFI-UHFFFAOYSA-N 1 0 384.303 2.551 20 0 GFADRO Cc1ncc(CN2CC[C@H]([NH2+]CC(=O)NCc3cccs3)[C@@H](C)C2)s1 ZINC000375510882 563408409 /nfs/dbraw/zinc/40/84/09/563408409.db2.gz DXAKAYOMAFLMOV-GUYCJALGSA-N 1 0 378.567 2.629 20 0 GFADRO COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@H](C)[N@@H+]2C[C@H](O)c2ccc(Br)cc2)O1 ZINC000282419723 563410625 /nfs/dbraw/zinc/41/06/25/563410625.db2.gz JGIDSQFGQRYSPT-NGDQCBGXSA-N 1 0 398.297 2.666 20 0 GFADRO O=C(N[C@H]1COc2cc(F)c(Br)cc21)NC1CC[NH+](C2CC2)CC1 ZINC000282445217 563411727 /nfs/dbraw/zinc/41/17/27/563411727.db2.gz GETCLFDBKVBRGL-HNNXBMFYSA-N 1 0 398.276 2.948 20 0 GFADRO Cc1cc(OCCC[C@@H](C)[NH2+]CCOCCS(C)(=O)=O)ccc1Cl ZINC000282452077 563412156 /nfs/dbraw/zinc/41/21/56/563412156.db2.gz HOAFCNWPWQFSGV-OAHLLOKOSA-N 1 0 377.934 2.847 20 0 GFADRO Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)[NH2+][C@@H]1CCO[C@@]2(CCSC2)C1 ZINC000375655467 563413096 /nfs/dbraw/zinc/41/30/96/563413096.db2.gz COSKYRUDBVKXTJ-DAYGRLMNSA-N 1 0 384.567 2.656 20 0 GFADRO O=C(c1cc(Br)cc2nc[nH]c21)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000282478767 563413341 /nfs/dbraw/zinc/41/33/41/563413341.db2.gz GZBOMTXABNGMAW-LBPRGKRZSA-N 1 0 377.286 2.883 20 0 GFADRO COc1cc2[nH+]ccc(N[C@@H]3CCN(C(C)C)C3=O)c2cc1Br ZINC000425229442 563413637 /nfs/dbraw/zinc/41/36/37/563413637.db2.gz QHWDOLYBRGVMJD-CQSZACIVSA-N 1 0 378.270 2.849 20 0 GFADRO COCCCn1nccc1C[NH2+]CCC(=O)Nc1ccc(Br)cc1 ZINC000282549410 563415439 /nfs/dbraw/zinc/41/54/39/563415439.db2.gz CJLXVKCULGVMQB-UHFFFAOYSA-N 1 0 395.301 2.801 20 0 GFADRO CSc1nc2ncnc(Sc3nnc([C@@H]4CCC[NH2+]C4)n3C)c2s1 ZINC000301968493 563417520 /nfs/dbraw/zinc/41/75/20/563417520.db2.gz YITVTQWGBGYWPU-MRVPVSSYSA-N 1 0 379.540 2.555 20 0 GFADRO C[C@@H]([NH2+]C[C@@H]1CCN(S(=O)(=O)c2cccs2)C1)c1cccc(CO)c1 ZINC000375840550 563420962 /nfs/dbraw/zinc/42/09/62/563420962.db2.gz PSFAQCGRYDFJQC-ZBFHGGJFSA-N 1 0 380.535 2.602 20 0 GFADRO C[C@@H]([NH2+]Cc1ccc(S(=O)(=O)N(C)C)s1)[C@H]1OCCc2sccc21 ZINC000425449367 563423025 /nfs/dbraw/zinc/42/30/25/563423025.db2.gz SRDKTOMCWFMSOY-BDJLRTHQSA-N 1 0 386.564 2.852 20 0 GFADRO C[C@H]([NH2+][C@@H]1COc2cc(F)c(Br)cc21)C1CCS(=O)(=O)CC1 ZINC000282754093 563423612 /nfs/dbraw/zinc/42/36/12/563423612.db2.gz OGYYRTGQLBQGEI-LKFCYVNXSA-N 1 0 392.290 2.825 20 0 GFADRO COC(=O)[C@@H]1C[N@H+](CCOCC(F)F)C[C@H]1c1ccc(Br)cc1 ZINC000425506533 563425891 /nfs/dbraw/zinc/42/58/91/563425891.db2.gz DMRUKRQFBSSPFL-UONOGXRCSA-N 1 0 392.240 2.919 20 0 GFADRO CN(CC(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)cc1)C(=O)c1cccs1 ZINC000282852680 563427037 /nfs/dbraw/zinc/42/70/37/563427037.db2.gz LRSMKRXNWNGSBE-OAHLLOKOSA-N 1 0 379.913 2.893 20 0 GFADRO Brc1ccc(C[NH+]2CC([C@H]3CCOC3)C2)c(N2CCOCC2)c1 ZINC000376022225 563427282 /nfs/dbraw/zinc/42/72/82/563427282.db2.gz RLSYJNPRWYTCHJ-HNNXBMFYSA-N 1 0 381.314 2.754 20 0 GFADRO O=C1CCc2cc(Cl)c(S(=O)(=O)N3CCCC4(CC[NH2+]CC4)C3)cc21 ZINC000376066770 563428613 /nfs/dbraw/zinc/42/86/13/563428613.db2.gz KHFRDJPVGCYCNE-UHFFFAOYSA-N 1 0 382.913 2.623 20 0 GFADRO C[C@@H](CNC(=O)NCc1cc(Cl)cc(I)c1)[NH+](C)C ZINC000425593630 563428773 /nfs/dbraw/zinc/42/87/73/563428773.db2.gz XISSJAVMJDGUPH-VIFPVBQESA-N 1 0 395.672 2.694 20 0 GFADRO O=C1CCc2cc(Cl)c(S(=O)(=O)N3CCC[C@@H]4C[NH2+]CCC[C@@H]43)cc21 ZINC000376140878 563431386 /nfs/dbraw/zinc/43/13/86/563431386.db2.gz AXUXBNBUFKDEAG-CJNGLKHVSA-N 1 0 382.913 2.622 20 0 GFADRO C[C@@H](CNC(=O)N1CCC[C@H]2C[N@H+](C)C[C@H]21)Oc1ccccc1Br ZINC000425689699 563431982 /nfs/dbraw/zinc/43/19/82/563431982.db2.gz HFTFHXCTIBSLLP-OFQRWUPVSA-N 1 0 396.329 2.952 20 0 GFADRO O=C(Nc1cc(Cl)ccc1OC(F)F)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000425714807 563432788 /nfs/dbraw/zinc/43/27/88/563432788.db2.gz PLYLJSFAQUPHSU-LBPRGKRZSA-N 1 0 377.819 2.910 20 0 GFADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)Nc1cccc(Br)c1Cl ZINC000283021560 563433307 /nfs/dbraw/zinc/43/33/07/563433307.db2.gz HSOVLXNRCRCPOO-LLVKDONJSA-N 1 0 389.725 2.860 20 0 GFADRO C[C@@H](C(=O)NC(=O)NC(C)(C)C)[N@H+](C)CCc1ccc(Br)cc1 ZINC000303253730 563433345 /nfs/dbraw/zinc/43/33/45/563433345.db2.gz BKUKDDQCDLPKTR-LBPRGKRZSA-N 1 0 384.318 2.936 20 0 GFADRO O=C([C@@H]1C[C@@H]1c1cccc(Br)c1)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000376225918 563433837 /nfs/dbraw/zinc/43/38/37/563433837.db2.gz LLASDZFHXSDTIN-ZJPYXAASSA-N 1 0 393.325 2.610 20 0 GFADRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)Nc1cc(Cl)ccc1OC(F)F ZINC000425741660 563434309 /nfs/dbraw/zinc/43/43/09/563434309.db2.gz NFMBCXJVMKHFCW-SNVBAGLBSA-N 1 0 377.819 2.726 20 0 GFADRO C[N@H+]1CC=C(CNC(=O)N[C@@H]2COc3cc(F)c(Br)cc32)CC1 ZINC000283068584 563434701 /nfs/dbraw/zinc/43/47/01/563434701.db2.gz GQWMMMHDHKEEMO-CQSZACIVSA-N 1 0 384.249 2.583 20 0 GFADRO C[C@H](NC(=O)[C@H]1CCCN1C(=O)c1ccc(Cl)s1)C1=CC[N@H+](C)CC1 ZINC000376283301 563436137 /nfs/dbraw/zinc/43/61/37/563436137.db2.gz UNIJHXOUIOIZLN-GXTWGEPZSA-N 1 0 381.929 2.773 20 0 GFADRO O=S(=O)(c1ccc(Br)s1)N1CCC2(CC[NH2+]CC2)CC1 ZINC000312986937 563437878 /nfs/dbraw/zinc/43/78/78/563437878.db2.gz ROEMXPJXBHHLBC-UHFFFAOYSA-N 1 0 379.345 2.665 20 0 GFADRO O=c1cc(CN2CC[NH2+]C[C@H]2c2ccccc2)nc2ccc(Br)cn12 ZINC000313337997 563437899 /nfs/dbraw/zinc/43/78/99/563437899.db2.gz DDXPWROIQYGISU-KRWDZBQOSA-N 1 0 399.292 2.604 20 0 GFADRO Cc1nc(CNS(=O)(=O)Cc2cccc(Br)c2)c2n1CCCC2 ZINC000376342977 563438837 /nfs/dbraw/zinc/43/88/37/563438837.db2.gz DHIHLSBQOCSBHW-UHFFFAOYSA-N 1 0 398.326 2.910 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)N1CCC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000425818541 563438857 /nfs/dbraw/zinc/43/88/57/563438857.db2.gz YNWGKKJOADIAGG-DZGCQCFKSA-N 1 0 394.313 2.557 20 0 GFADRO CS(=O)(=O)N1CCC([NH2+]C2CC(c3cccc(Br)c3)C2)CC1 ZINC000315727455 563441021 /nfs/dbraw/zinc/44/10/21/563441021.db2.gz ZYZBONXJHTWKQM-UHFFFAOYSA-N 1 0 387.343 2.709 20 0 GFADRO CCOc1ccc(Br)cc1S(=O)(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000316237412 563441609 /nfs/dbraw/zinc/44/16/09/563441609.db2.gz PQTHAGAINRHBJM-NWDGAFQWSA-N 1 0 391.331 2.596 20 0 GFADRO CC(C)NS(=O)(=O)CC[NH2+][C@H](Cc1cccnc1)c1cccc(Cl)c1 ZINC000426018687 563442018 /nfs/dbraw/zinc/44/20/18/563442018.db2.gz PZDADXFHDRCTMI-GOSISDBHSA-N 1 0 381.929 2.936 20 0 GFADRO COC(=O)C1CCC([NH2+]CCCNC(=O)c2ccc(Br)cc2)CC1 ZINC000426040278 563442764 /nfs/dbraw/zinc/44/27/64/563442764.db2.gz UHOIEWWWCQPBMO-UHFFFAOYSA-N 1 0 397.313 2.890 20 0 GFADRO OC[C@H]1CCC[N@@H+]1C[C@@H]1CCCN1c1nc(C(Cl)(Cl)Cl)ns1 ZINC000376459541 563442943 /nfs/dbraw/zinc/44/29/43/563442943.db2.gz FWOOLFUYDAVOGP-VHSXEESVSA-N 1 0 385.748 2.790 20 0 GFADRO OC[C@@H]1CCC[N@@H+]1C[C@@H]1CCCN1c1nc(C(Cl)(Cl)Cl)ns1 ZINC000376459540 563443179 /nfs/dbraw/zinc/44/31/79/563443179.db2.gz FWOOLFUYDAVOGP-UWVGGRQHSA-N 1 0 385.748 2.790 20 0 GFADRO Cc1nn(C)c(Cl)c1S(=O)(=O)N1CCC([NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000376482539 563444286 /nfs/dbraw/zinc/44/42/86/563444286.db2.gz BACACLXSPUJAOT-CHWSQXEVSA-N 1 0 388.965 2.513 20 0 GFADRO C[C@@H](CNC(=O)C(=O)Nc1cccc(Br)c1Cl)[N@H+](C)C1CC1 ZINC000283417599 563444496 /nfs/dbraw/zinc/44/44/96/563444496.db2.gz XKZULWNIMGZESR-VIFPVBQESA-N 1 0 388.693 2.640 20 0 GFADRO COc1ccc(C[NH2+][C@@H]2CCCc3c2cnn3CCO)cc1Br ZINC000319862651 563445762 /nfs/dbraw/zinc/44/57/62/563445762.db2.gz UYTZLFSCELICQM-OAHLLOKOSA-N 1 0 380.286 2.814 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NCc2ccc(Cl)cc2Cl)[C@@H](C)C1 ZINC000283475800 563445840 /nfs/dbraw/zinc/44/58/40/563445840.db2.gz XKBLRTUSRYDGCK-BLLLJJGKSA-N 1 0 386.323 2.798 20 0 GFADRO Cc1c(Br)cccc1CC(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000376630047 563448599 /nfs/dbraw/zinc/44/85/99/563448599.db2.gz YQBFMZLDTDCZLO-MRXNPFEDSA-N 1 0 394.357 2.585 20 0 GFADRO O[C@H](C[NH2+]Cc1cc(Br)cc2c1OCC2)COCc1ccco1 ZINC000322280192 563449196 /nfs/dbraw/zinc/44/91/96/563449196.db2.gz PMELCXQCXHTFPZ-OAHLLOKOSA-N 1 0 382.254 2.644 20 0 GFADRO COCC(C)(C)C[NH+]1CCN(CC(=O)Nc2ccc(Br)cc2)CC1 ZINC000426409653 563450155 /nfs/dbraw/zinc/45/01/55/563450155.db2.gz FURDFFHSVQMLMS-UHFFFAOYSA-N 1 0 398.345 2.678 20 0 GFADRO O=C(N[C@@H]1CCN(c2ccc(Br)cc2)C1)[C@H]1CCC[N@@H+]1C1CC1 ZINC000426490159 563452026 /nfs/dbraw/zinc/45/20/26/563452026.db2.gz AUHRXFXEQVOIHN-RHSMWYFYSA-N 1 0 378.314 2.771 20 0 GFADRO COc1ccc(S(=O)(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)c(Cl)c1Cl ZINC000376758094 563453527 /nfs/dbraw/zinc/45/35/27/563453527.db2.gz ZYXXMNRKYSFTIA-HNNXBMFYSA-N 1 0 379.309 2.766 20 0 GFADRO COC(=O)CC[N@@H+](Cc1cc(Br)cc2c1OCC2)C[C@@H]1CCCO1 ZINC000326417066 563455330 /nfs/dbraw/zinc/45/53/30/563455330.db2.gz LXHUSMBEUCTLGY-INIZCTEOSA-N 1 0 398.297 2.928 20 0 GFADRO O=C(c1cc(Cl)c[nH]1)N1CCC([NH2+][C@H]2CCO[C@H](C(F)(F)F)C2)CC1 ZINC000376902681 563457356 /nfs/dbraw/zinc/45/73/56/563457356.db2.gz JUDMJZMKSLLCAJ-JSGCOSHPSA-N 1 0 379.810 2.972 20 0 GFADRO COc1ccc([C@@H](C)[NH2+]C[C@H]2CCCS(=O)(=O)C2)cc1Br ZINC000284136572 563465580 /nfs/dbraw/zinc/46/55/80/563465580.db2.gz OOBHGPQDBMBMML-VXGBXAGGSA-N 1 0 376.316 2.933 20 0 GFADRO CN(CC(=O)N(CCO)Cc1cc(Br)cs1)Cc1ccccc1 ZINC000427560990 563469519 /nfs/dbraw/zinc/46/95/19/563469519.db2.gz AHIFKQVIOFCROC-UHFFFAOYSA-N 1 0 397.338 2.964 20 0 GFADRO C[C@H](Cc1ccc(F)cc1Br)[NH2+][C@H]1CCN(c2ccn(C)n2)C1=O ZINC000377353152 563471660 /nfs/dbraw/zinc/47/16/60/563471660.db2.gz UUBGZYHFUYSANA-ABAIWWIYSA-N 1 0 395.276 2.648 20 0 GFADRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2S(=O)(=O)Cc2cccc(C(F)(F)F)c2)C1 ZINC000427793938 563475464 /nfs/dbraw/zinc/47/54/64/563475464.db2.gz QBLKNVRFZCCMJA-HOCLYGCPSA-N 1 0 376.444 2.951 20 0 GFADRO CC[N@H+](CCO)CCNC(=O)c1oc2c(cc(Br)cc2C)c1C ZINC000427807965 563476319 /nfs/dbraw/zinc/47/63/19/563476319.db2.gz OIUUSWRFQIVYLE-UHFFFAOYSA-N 1 0 383.286 2.856 20 0 GFADRO Cc1nc(S(=O)(=O)N[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)sc1C ZINC000329260862 563476761 /nfs/dbraw/zinc/47/67/61/563476761.db2.gz ZBOCQMSZSBCUJF-YOEHRIQHSA-N 1 0 379.551 2.949 20 0 GFADRO COC(=O)CC[C@@H]([NH3+])C(=O)N1CC2(CCCC2)c2cc(Br)ccc21 ZINC000377531818 563478249 /nfs/dbraw/zinc/47/82/49/563478249.db2.gz YMQPBLNLZDNVKQ-CQSZACIVSA-N 1 0 395.297 2.888 20 0 GFADRO O=C(NCc1cccc(Br)c1)NC[C@H]1CCC[C@H]1[NH+]1CCOCC1 ZINC000377553681 563478474 /nfs/dbraw/zinc/47/84/74/563478474.db2.gz QLJNSQUZVDNEQG-NVXWUHKLSA-N 1 0 396.329 2.749 20 0 GFADRO O=S(=O)(c1cc(Br)sc1Cl)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000427951102 563479326 /nfs/dbraw/zinc/47/93/26/563479326.db2.gz OCQOLRZETYROIR-HTQZYQBOSA-N 1 0 385.736 2.537 20 0 GFADRO Cc1nn(C)c(NC(=O)N2CC([NH+](C)C)C2)c1-c1ccc(Br)cc1 ZINC000329436133 563479792 /nfs/dbraw/zinc/47/97/92/563479792.db2.gz LXVLYQUUIHWRQE-UHFFFAOYSA-N 1 0 392.301 2.936 20 0 GFADRO Cc1noc(C)c1S(=O)(=O)NC[C@H]1CC[N@@H+](C)[C@@H]1c1cccc(Cl)c1 ZINC000377741787 563484646 /nfs/dbraw/zinc/48/46/46/563484646.db2.gz KFUGMURKWVRBQA-GDBMZVCRSA-N 1 0 383.901 2.916 20 0 GFADRO C[NH+](C)CCOc1cc(CNC(=O)Nc2cc(Br)ccn2)ccn1 ZINC000284651375 563484566 /nfs/dbraw/zinc/48/45/66/563484566.db2.gz FIWDLIZZVAELFK-UHFFFAOYSA-N 1 0 394.273 2.501 20 0 GFADRO O=S1(=O)CCC[C@H](C[NH2+][C@H](CO)c2ccc(Cl)cc2C(F)(F)F)C1 ZINC000284787413 563490381 /nfs/dbraw/zinc/49/03/81/563490381.db2.gz NTYYDKMXWDCOTH-QMTHXVAHSA-N 1 0 385.835 2.807 20 0 GFADRO [NH3+]C[C@H]1CCCN(C(=O)c2ccc(I)cc2Cl)C1 ZINC000428612541 563497549 /nfs/dbraw/zinc/49/75/49/563497549.db2.gz ROAAGERUNAFZCL-SECBINFHSA-N 1 0 378.641 2.756 20 0 GFADRO CSc1ccc(Cl)c(C(=O)NC[C@]2(N3CCOCC3)CCCOC2)c1 ZINC000378159349 563497931 /nfs/dbraw/zinc/49/79/31/563497931.db2.gz NUTFKKHUXNCASN-GOSISDBHSA-N 1 0 384.929 2.673 20 0 GFADRO CC1CC[NH+]([C@H](CNC(=O)N[C@H](CO)CC(F)F)c2cccs2)CC1 ZINC000428693691 563500073 /nfs/dbraw/zinc/50/00/73/563500073.db2.gz QXBHOPYXBNONFX-UONOGXRCSA-N 1 0 375.485 2.836 20 0 GFADRO C[C@@H](CNC(=O)CCCS(=O)(=O)c1ccc(Cl)cc1)C[NH+]1CCCC1 ZINC000285036956 563500140 /nfs/dbraw/zinc/50/01/40/563500140.db2.gz JJBWCSKGUWMQLG-HNNXBMFYSA-N 1 0 386.945 2.742 20 0 GFADRO C[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)CC1 ZINC000285048922 563500920 /nfs/dbraw/zinc/50/09/20/563500920.db2.gz VKQFHGMLGYRSIN-INIZCTEOSA-N 1 0 384.307 2.867 20 0 GFADRO C[C@@H]([NH2+][C@@H](CO)c1ccc(Br)cc1)C(=O)NCc1ccccc1F ZINC000428797251 563502083 /nfs/dbraw/zinc/50/20/83/563502083.db2.gz PQWMVIBCYSDFKW-PXAZEXFGSA-N 1 0 395.272 2.916 20 0 GFADRO C[C@H]([NH3+])C1CCN(C(=O)c2cnc(Sc3nccn3C)c(Cl)c2)CC1 ZINC000428908499 563504215 /nfs/dbraw/zinc/50/42/15/563504215.db2.gz REHSNDOMFOWFIX-NSHDSACASA-N 1 0 379.917 2.819 20 0 GFADRO C[C@@H](NC(=O)c1[nH]nc(-c2ccccc2)c1Br)[C@@H]1CCC[NH2+]C1 ZINC000428958088 563504820 /nfs/dbraw/zinc/50/48/20/563504820.db2.gz UIZIGISFSGTKEB-DGCLKSJQSA-N 1 0 377.286 2.957 20 0 GFADRO CS(=O)(=O)[C@H]1CCC[C@@H]([NH2+]CCc2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000285239742 563510538 /nfs/dbraw/zinc/51/05/38/563510538.db2.gz PNYSFZKYAHUKOP-CABCVRRESA-N 1 0 383.901 2.878 20 0 GFADRO CC(C)[C@H]([NH3+])CNC(=O)CCCOc1ccc(I)cc1 ZINC000429190303 563511468 /nfs/dbraw/zinc/51/14/68/563511468.db2.gz FATGQRYYIQGSFW-CQSZACIVSA-N 1 0 390.265 2.550 20 0 GFADRO CCOc1cc(Br)c(CC(=O)NC[C@H]([NH3+])C(C)C)cc1OCC ZINC000429181984 563511806 /nfs/dbraw/zinc/51/18/06/563511806.db2.gz LSRQGJACQUZSTG-AWEZNQCLSA-N 1 0 387.318 2.889 20 0 GFADRO CS(=O)(=O)N[C@H]1CCCC[C@H]1[NH2+]Cc1cc(Br)ccc1F ZINC000330609185 563513314 /nfs/dbraw/zinc/51/33/14/563513314.db2.gz NMSLQKREUSBBQK-KGLIPLIRSA-N 1 0 379.295 2.538 20 0 GFADRO COC(=O)CN(C)C(=O)CC[NH2+][C@H]1c2cccc(Br)c2CC1(C)C ZINC000429386615 563515399 /nfs/dbraw/zinc/51/53/99/563515399.db2.gz XALILQLKMKMEDB-KRWDZBQOSA-N 1 0 397.313 2.684 20 0 GFADRO C[C@@H]([NH3+])[C@H](C)NC(=O)c1cc(Br)ccc1I ZINC000381591394 563516393 /nfs/dbraw/zinc/51/63/93/563516393.db2.gz LNBDLPUPKHWHHS-RQJHMYQMSA-N 1 0 397.054 2.519 20 0 GFADRO C[C@@H]1[C@H]([NH3+])CCCN1C(=O)c1cc(Cl)ccc1I ZINC000381524075 563516451 /nfs/dbraw/zinc/51/64/51/563516451.db2.gz YIXHGPQHDBKEHM-PRHODGIISA-N 1 0 378.641 2.896 20 0 GFADRO CC1(C)Cc2c(cccc2Br)[C@@H]1[NH2+]CC(=O)NC1CCOCC1 ZINC000429402020 563516457 /nfs/dbraw/zinc/51/64/57/563516457.db2.gz GOQFIZWUNAKHIZ-KRWDZBQOSA-N 1 0 381.314 2.957 20 0 GFADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)c1cc(F)c(Br)c(Cl)c1 ZINC000285386938 563518189 /nfs/dbraw/zinc/51/81/89/563518189.db2.gz HBSVLUKZARJDJO-SNVBAGLBSA-N 1 0 392.700 2.607 20 0 GFADRO C[C@H]1C[C@H](N2CCOCC2)C[N@@H+]1CCC(=O)Nc1cccc(Br)c1 ZINC000285439248 563520777 /nfs/dbraw/zinc/52/07/77/563520777.db2.gz CSISTRDRKKWDKN-YOEHRIQHSA-N 1 0 396.329 2.573 20 0 GFADRO CC(=O)N[C@H](CC(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1)c1ccc(Br)cc1 ZINC000330783626 563520842 /nfs/dbraw/zinc/52/08/42/563520842.db2.gz IMIXTXNRQZKKDN-IIYDPXPESA-N 1 0 396.329 2.567 20 0 GFADRO Ic1cnc(C[NH2+]C2CCC3(CC2)OCCO3)s1 ZINC000285469737 563522337 /nfs/dbraw/zinc/52/23/37/563522337.db2.gz NRBHMZKCJZMYGX-UHFFFAOYSA-N 1 0 380.251 2.523 20 0 GFADRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)CCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000285472124 563522852 /nfs/dbraw/zinc/52/28/52/563522852.db2.gz KQYNQTVZIMTQIA-OAHLLOKOSA-N 1 0 386.945 2.694 20 0 GFADRO Cc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3CC(=O)N(C)C)c(Br)c1 ZINC000285490896 563523514 /nfs/dbraw/zinc/52/35/14/563523514.db2.gz MAVMMIKDERAGHJ-ALOPSCKCSA-N 1 0 394.357 2.931 20 0 GFADRO CC[N@@H+]1CCCN(C(=O)C(=O)Nc2cc(Br)c(C)cc2C)CC1 ZINC000429886821 563527568 /nfs/dbraw/zinc/52/75/68/563527568.db2.gz JZTLEXAPIJBYAB-UHFFFAOYSA-N 1 0 382.302 2.559 20 0 GFADRO CC[C@@H](Cc1cccc(Br)c1)C(=O)NC[C@@](C)(O)CC[NH+](C)C ZINC000429900433 563527992 /nfs/dbraw/zinc/52/79/92/563527992.db2.gz GAQMAAAWRFGSLD-YJBOKZPZSA-N 1 0 385.346 2.837 20 0 GFADRO C[NH+](C)Cc1cccc(NC(=O)N2CCn3c(Br)cnc3C2)c1 ZINC000285639203 563530240 /nfs/dbraw/zinc/53/02/40/563530240.db2.gz LDUOTFNOGDYJKS-UHFFFAOYSA-N 1 0 378.274 2.755 20 0 GFADRO CC(C)[N@@H+]1CCc2nc(CN3CCCC[C@@H]3CCS(C)(=O)=O)sc2C1 ZINC000430110609 563533386 /nfs/dbraw/zinc/53/33/86/563533386.db2.gz ZORXSSSXMUQBDQ-OAHLLOKOSA-N 1 0 385.599 2.699 20 0 GFADRO CC(C)[NH+]1CCC(C(=O)NC[C@H](CO)Cc2ccc(Br)cc2)CC1 ZINC000430123136 563533810 /nfs/dbraw/zinc/53/38/10/563533810.db2.gz PARJKJFVYAVLOG-MRXNPFEDSA-N 1 0 397.357 2.837 20 0 GFADRO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC[C@H](CO)Cc1cccc(Br)c1 ZINC000430120836 563533829 /nfs/dbraw/zinc/53/38/29/563533829.db2.gz KRTHBNRQVULCFQ-IIAWOOMASA-N 1 0 383.330 2.589 20 0 GFADRO [NH3+]C[C@H](NC(=O)c1cc(Br)sc1Br)C(F)(F)F ZINC000401871164 563535140 /nfs/dbraw/zinc/53/51/40/563535140.db2.gz KTGXFMABMKDIGQ-BYPYZUCNSA-N 1 0 396.026 2.893 20 0 GFADRO C[C@H](C(=O)NC[C@H](CO)Cc1ccccc1Br)[NH+]1CCCCCC1 ZINC000430166153 563537414 /nfs/dbraw/zinc/53/74/14/563537414.db2.gz UFOXYNZINXEDGH-HZPDHXFCSA-N 1 0 397.357 2.981 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cn3ccc(Br)cc3n2)[C@@H](C)C1 ZINC000285854853 563539772 /nfs/dbraw/zinc/53/97/72/563539772.db2.gz XGLYGPLAKKJDRE-WFASDCNBSA-N 1 0 379.302 2.899 20 0 GFADRO COc1cc(Br)ccc1CNC(=O)N1CC[N@H+](C)C[C@H]1C(C)C ZINC000430273907 563540369 /nfs/dbraw/zinc/54/03/69/563540369.db2.gz PGZHLIWLBXJKOE-HNNXBMFYSA-N 1 0 384.318 2.939 20 0 GFADRO C[C@H]1CN(C(=O)c2cc(Br)c(F)cc2F)CCN1CC(C)(C)O ZINC000430339086 563541820 /nfs/dbraw/zinc/54/18/20/563541820.db2.gz IKSGMQWBGXNESQ-JTQLQIEISA-N 1 0 391.256 2.645 20 0 GFADRO C[C@@H]1C[C@@H](N2CCOCC2)C[N@@H+]1CCC(=O)Nc1ccccc1Br ZINC000285921336 563542344 /nfs/dbraw/zinc/54/23/44/563542344.db2.gz LGXBWRHMHIYINH-HUUCEWRRSA-N 1 0 396.329 2.573 20 0 GFADRO C[C@@H](O)[C@H]1C[C@H](C)CC[N@@H+]1C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000331284250 563543426 /nfs/dbraw/zinc/54/34/26/563543426.db2.gz KTHNVNYYRZAYGS-BKBUGSPTSA-N 1 0 390.293 2.809 20 0 GFADRO CCOC(=O)c1sc2ccsc2c1CNC(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000430527469 563544639 /nfs/dbraw/zinc/54/46/39/563544639.db2.gz JTSZNJYAHAFSEM-NSHDSACASA-N 1 0 382.507 2.524 20 0 GFADRO Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NS(C)(=O)=O)c(Br)c1 ZINC000331352933 563547258 /nfs/dbraw/zinc/54/72/58/563547258.db2.gz ZQUXUMGDORWCSF-HUUCEWRRSA-N 1 0 375.332 2.708 20 0 GFADRO Cc1cncc(C[NH2+][C@@H](C)c2ccc(Br)c(S(N)(=O)=O)c2)c1 ZINC000430730951 563548260 /nfs/dbraw/zinc/54/82/60/563548260.db2.gz KNDUIXOYPYWYKZ-NSHDSACASA-N 1 0 384.299 2.651 20 0 GFADRO CO[C@@H]1CCC[C@H]1C[NH2+][C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430707654 563548327 /nfs/dbraw/zinc/54/83/27/563548327.db2.gz QFASAMKCEFWWRU-VHRBIJSZSA-N 1 0 391.331 2.562 20 0 GFADRO C[C@@H]([NH2+]CCC(F)(F)F)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430712995 563548408 /nfs/dbraw/zinc/54/84/08/563548408.db2.gz JCLQLNQCEDHAQG-SSDOTTSWSA-N 1 0 375.210 2.700 20 0 GFADRO O=C(NCCC[NH+]1CCCC1)C1CCN(c2ncccc2Br)CC1 ZINC000286201647 563552555 /nfs/dbraw/zinc/55/25/55/563552555.db2.gz RORGDENFKYPMFM-UHFFFAOYSA-N 1 0 395.345 2.663 20 0 GFADRO O[C@@H](COCC(F)(F)F)C[N@@H+]1CCCN(Cc2ccc(Cl)cc2)CC1 ZINC000431123037 563554030 /nfs/dbraw/zinc/55/40/30/563554030.db2.gz WVZXRTPXPMTAMB-MRXNPFEDSA-N 1 0 380.838 2.788 20 0 GFADRO O[C@@H](COCC(F)(F)F)C[NH+]1CCN(Cc2ccc(F)cc2Cl)CC1 ZINC000431122233 563554374 /nfs/dbraw/zinc/55/43/74/563554374.db2.gz GOTJZKXYBIUBFI-CQSZACIVSA-N 1 0 384.801 2.537 20 0 GFADRO CCCN(C)[C@H](CNC(=O)C[C@H]1CCS(=O)(=O)C1)c1ccc(Cl)cc1 ZINC000286350129 563557064 /nfs/dbraw/zinc/55/70/64/563557064.db2.gz MKTIYGRFMVILBV-RHSMWYFYSA-N 1 0 386.945 2.664 20 0 GFADRO COC(=O)c1sccc1S(=O)(=O)N1CCC[C@H]([NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC000331769043 563561156 /nfs/dbraw/zinc/56/11/56/563561156.db2.gz FAWHBQMNFPFNEK-IHRRRGAJSA-N 1 0 386.539 2.561 20 0 GFADRO C[NH+](C)[C@@H]1CCCN(C(=O)CCCS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000286475731 563561498 /nfs/dbraw/zinc/56/14/98/563561498.db2.gz LEFHNDOGBZMNII-MRXNPFEDSA-N 1 0 386.945 2.837 20 0 GFADRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)NCCc1nc(C(F)(F)F)cs1 ZINC000286535105 563564128 /nfs/dbraw/zinc/56/41/28/563564128.db2.gz CFPHSTNCGGZROR-VXGBXAGGSA-N 1 0 376.448 2.973 20 0 GFADRO Cc1cc([C@H](C)[NH2+]C[C@@H]2CCN(S(C)(=O)=O)C2)sc1Br ZINC000286645384 563568580 /nfs/dbraw/zinc/56/85/80/563568580.db2.gz TXSZKLPGWKWCJG-QWRGUYRKSA-N 1 0 381.361 2.751 20 0 GFADRO C[NH+](C)CCN(CCCc1ccccc1)C(=O)Cn1cc(Br)cn1 ZINC000409696173 563568801 /nfs/dbraw/zinc/56/88/01/563568801.db2.gz GCUFYZAKDIQLFC-UHFFFAOYSA-N 1 0 393.329 2.669 20 0 GFADRO C[C@H](Oc1ccc(Br)cc1)C(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000409707697 563568841 /nfs/dbraw/zinc/56/88/41/563568841.db2.gz ZMKITOKOGFMZGW-AWEZNQCLSA-N 1 0 399.329 2.786 20 0 GFADRO CC1CC[NH+](C[C@@H](O)CNC(=O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000409714235 563569322 /nfs/dbraw/zinc/56/93/22/563569322.db2.gz UZBCRTAOMXLQFJ-ZDUSSCGKSA-N 1 0 375.296 2.581 20 0 GFADRO C[C@@H](NC(=O)NCC[N@H+](C)Cc1ccccc1)c1ncc(Br)cn1 ZINC000431858353 563569813 /nfs/dbraw/zinc/56/98/13/563569813.db2.gz CPUSEUGBCAMRHO-CYBMUJFWSA-N 1 0 392.301 2.731 20 0 GFADRO C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)N1CCC[C@](F)(CO)C1 ZINC000286734995 563573034 /nfs/dbraw/zinc/57/30/34/563573034.db2.gz DDZADUHISDIWAN-CXAGYDPISA-N 1 0 387.293 2.592 20 0 GFADRO CS[C@@H]1CN(C(=O)[C@H](C)Oc2ccc(Br)cc2)C[C@@H]1[NH+](C)C ZINC000409886671 563573514 /nfs/dbraw/zinc/57/35/14/563573514.db2.gz KWBADXPABDFMRN-TUKIKUTGSA-N 1 0 387.343 2.720 20 0 GFADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2cc(Br)cc(N(C)C)c2)C1 ZINC000432063628 563574263 /nfs/dbraw/zinc/57/42/63/563574263.db2.gz OLPYYNZLWTWVPZ-KRWDZBQOSA-N 1 0 398.345 2.602 20 0 GFADRO C[C@@H]1C[C@H](C)[C@@H](C(=O)Nc2cc(Br)ccc2N2CC[NH+](C)CC2)O1 ZINC000409995197 563578043 /nfs/dbraw/zinc/57/80/43/563578043.db2.gz WREPIRHRIJDICB-AHIWAGSCSA-N 1 0 396.329 2.953 20 0 GFADRO CSc1ccc(S(=O)(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)cc1Cl ZINC000432294954 563579037 /nfs/dbraw/zinc/57/90/37/563579037.db2.gz FWGJGIGQZYTCIT-ZDUSSCGKSA-N 1 0 392.974 2.841 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)N1CCC[C@@](O)(C(F)(F)F)CC1)c1ccsc1 ZINC000286924328 563580196 /nfs/dbraw/zinc/58/01/96/563580196.db2.gz ADIQCQBDIIWFOB-ZFWWWQNUSA-N 1 0 379.448 2.840 20 0 GFADRO C[C@@H]1C[N@H+](CCCNS(=O)(=O)c2c(Cl)cccc2Cl)CCCO1 ZINC000432327362 563581416 /nfs/dbraw/zinc/58/14/16/563581416.db2.gz GMPOPMGFQCYPNX-GFCCVEGCSA-N 1 0 381.325 2.773 20 0 GFADRO CC[C@@H](NC(=O)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1)c1ccc(Cl)s1 ZINC000286999982 563583278 /nfs/dbraw/zinc/58/32/78/563583278.db2.gz LLKSLHSDHLCOBH-UONOGXRCSA-N 1 0 383.945 2.913 20 0 GFADRO Cc1ccc(I)cc1NC(=O)NCC[N@H+]1CC=CCC1 ZINC000432478356 563585109 /nfs/dbraw/zinc/58/51/09/563585109.db2.gz NKPXCUFATUQPHU-UHFFFAOYSA-N 1 0 385.249 2.983 20 0 GFADRO CCc1nc(C(=O)N[C@@H]2CC[NH2+]C[C@H]2C)nn1-c1c(Cl)cccc1Cl ZINC000432520839 563586260 /nfs/dbraw/zinc/58/62/60/563586260.db2.gz VLJNDOKYLSUGFP-ZWNOBZJWSA-N 1 0 382.295 2.864 20 0 GFADRO C[C@H]([NH2+]C[C@H]1CCCSC1)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000287086983 563586919 /nfs/dbraw/zinc/58/69/19/563586919.db2.gz PBFTVEBUZTVRJW-JKSUJKDBSA-N 1 0 384.567 2.501 20 0 GFADRO O=S(=O)(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc(OCC(F)(F)F)cc1 ZINC000332254460 563587284 /nfs/dbraw/zinc/58/72/84/563587284.db2.gz MMHPBDIRSBLBKY-CABCVRRESA-N 1 0 378.416 2.533 20 0 GFADRO O=S(=O)(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc(OCC(F)(F)F)cc1 ZINC000332254462 563587411 /nfs/dbraw/zinc/58/74/11/563587411.db2.gz MMHPBDIRSBLBKY-GJZGRUSLSA-N 1 0 378.416 2.533 20 0 GFADRO CC(C)[N@@H+]1CCCN(C(=O)Nc2cc(N(C)C)c(Br)cn2)CC1 ZINC000332268817 563589187 /nfs/dbraw/zinc/58/91/87/563589187.db2.gz DJQCFQBUIFODGZ-UHFFFAOYSA-N 1 0 384.322 2.858 20 0 GFADRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)C1(c2cncc(Br)c2)CC1 ZINC000287173737 563590337 /nfs/dbraw/zinc/59/03/37/563590337.db2.gz OHTYQILJHYMPEX-BBRMVZONSA-N 1 0 378.314 2.961 20 0 GFADRO O=C([C@@H]1CC[N@@H+](C[C@@H](O)COc2ccc(Cl)cc2Cl)C1)N1CCCC1 ZINC000287255980 563593758 /nfs/dbraw/zinc/59/37/58/563593758.db2.gz HCIVBJHWMYOEQR-UKRRQHHQSA-N 1 0 387.307 2.677 20 0 GFADRO Cc1cc(Cl)cc(NC(=O)C(=O)N2CCC[N@@H+](C)CC2)c1Br ZINC000332379407 563596403 /nfs/dbraw/zinc/59/64/03/563596403.db2.gz UQQZRRLTVFKYLK-UHFFFAOYSA-N 1 0 388.693 2.514 20 0 GFADRO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)N1CC[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000410972591 563600489 /nfs/dbraw/zinc/60/04/89/563600489.db2.gz HPGCFZLUGRQJJY-BBRMVZONSA-N 1 0 384.307 2.504 20 0 GFADRO CC[NH+](CC)[C@@H]1CCN(C(=O)Nc2cccc(C(=O)NC)c2Br)C1 ZINC000287426931 563601414 /nfs/dbraw/zinc/60/14/14/563601414.db2.gz OGSGRGLIDLRKPG-GFCCVEGCSA-N 1 0 397.317 2.757 20 0 GFADRO C[C@H]1CN2CCCC[C@H]2CN1C(=O)C(=O)Nc1ccc(F)cc1Br ZINC000332515599 563602791 /nfs/dbraw/zinc/60/27/91/563602791.db2.gz WRYFVXPGXHSCSA-AAEUAGOBSA-N 1 0 398.276 2.612 20 0 GFADRO [NH3+][C@@H]1CCC[C@H](NC(=O)N2CCN(c3cccc(Br)c3)CC2)C1 ZINC000332553394 563603957 /nfs/dbraw/zinc/60/39/57/563603957.db2.gz QTPZIRNXAMCUHN-CABCVRRESA-N 1 0 381.318 2.551 20 0 GFADRO O=C(Nc1ccccc1I)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000332553478 563603999 /nfs/dbraw/zinc/60/39/99/563603999.db2.gz LHPRUWHRGIOUIU-SDDRHHMPSA-N 1 0 385.249 2.801 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)C[N@H+]1CCC[C@@H]1C ZINC000332563103 563604885 /nfs/dbraw/zinc/60/48/85/563604885.db2.gz SQVBCGRCPGVIGI-ZDUSSCGKSA-N 1 0 382.302 2.639 20 0 GFADRO CCOC(=O)[C@@H](Cc1cc(Cl)cc(Cl)c1)NC(=O)[C@@H](C[NH3+])C(C)C ZINC000433147838 563604886 /nfs/dbraw/zinc/60/48/86/563604886.db2.gz DUHDMUGVAOXZBU-LSDHHAIUSA-N 1 0 375.296 2.815 20 0 GFADRO COC(=O)c1cc(NC(=O)N2CC[C@H](C[NH+](C)C)C2)c(C)cc1Br ZINC000287512960 563604973 /nfs/dbraw/zinc/60/49/73/563604973.db2.gz UVYCSNJMFBCRFM-GFCCVEGCSA-N 1 0 398.301 2.960 20 0 GFADRO OCC[N@H+](C[C@H](O)COc1cc(Cl)ccc1Cl)[C@H]1CCCSC1 ZINC000433208893 563606430 /nfs/dbraw/zinc/60/64/30/563606430.db2.gz PJLRICRADXUQST-KBPBESRZSA-N 1 0 380.337 2.923 20 0 GFADRO CCOCCOc1ccc(Br)cc1C[NH2+]C[C@@H]1CCCC(=O)N1 ZINC000433204059 563606500 /nfs/dbraw/zinc/60/65/00/563606500.db2.gz AHQMUVXUGUBEFX-HNNXBMFYSA-N 1 0 385.302 2.623 20 0 GFADRO CSc1nnc(CNC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)s1 ZINC000287558913 563607015 /nfs/dbraw/zinc/60/70/15/563607015.db2.gz DXNKFZMJAQIVFI-GXTWGEPZSA-N 1 0 377.539 2.722 20 0 GFADRO Cn1cc(Br)c(C(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)n1 ZINC000433242151 563607588 /nfs/dbraw/zinc/60/75/88/563607588.db2.gz PUZOIBWQDRUWCV-GFCCVEGCSA-N 1 0 397.342 2.886 20 0 GFADRO C[C@@H]1CCN(C(=O)N[C@@H]2CCN(c3ccc(Br)cc3)C2)C[C@@H]1C[NH3+] ZINC000332647651 563609716 /nfs/dbraw/zinc/60/97/16/563609716.db2.gz JDNFQENRVNYWFC-IJEWVQPXSA-N 1 0 395.345 2.654 20 0 GFADRO Cc1ccc(F)c(Br)c1NC(=O)C(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000332656670 563610251 /nfs/dbraw/zinc/61/02/51/563610251.db2.gz ZQQDGZSBNOKPBD-NWDGAFQWSA-N 1 0 398.276 2.530 20 0 GFADRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)Nc1nnc(-c2ccc(Cl)cc2F)s1 ZINC000332688032 563611534 /nfs/dbraw/zinc/61/15/34/563611534.db2.gz UMXISXWYTJZSAJ-NXEZZACHSA-N 1 0 383.880 3.554 20 0 GFADRO CC(C)(C)OC(=O)[C@@](C)(O)C[NH2+][C@@H]1CCc2cc(Br)ccc2C1 ZINC000332691897 563611640 /nfs/dbraw/zinc/61/16/40/563611640.db2.gz QWAZRHTZARWLRZ-QAPCUYQASA-N 1 0 384.314 2.989 20 0 GFADRO CC(C)[N@H+](C)CCNC(=O)C(=O)N[C@@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000411238405 563611597 /nfs/dbraw/zinc/61/15/97/563611597.db2.gz JHNWRDUYYOHTSR-ZDUSSCGKSA-N 1 0 379.810 2.516 20 0 GFADRO C[C@@H]1CN(C(=O)Nc2ccc3nccnc3c2Br)C[C@H]1[NH+](C)C ZINC000287820784 563619242 /nfs/dbraw/zinc/61/92/42/563619242.db2.gz VKTMNFYCHVKNBY-ZWNOBZJWSA-N 1 0 378.274 2.806 20 0 GFADRO Cc1c(Br)cc(C(=O)NCC2([NH+](C)C)CCCCCC2)c(=O)n1C ZINC000433822965 563620596 /nfs/dbraw/zinc/62/05/96/563620596.db2.gz VJSVCBVVDRJLGB-UHFFFAOYSA-N 1 0 398.345 2.841 20 0 GFADRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+]C[C@H](O)Cc2cccc(Cl)c2)cc1 ZINC000287885168 563621169 /nfs/dbraw/zinc/62/11/69/563621169.db2.gz SZJYEKCSSJYFBU-SUMWQHHRSA-N 1 0 382.913 2.502 20 0 GFADRO C[N@H+](CCC(=O)Nc1ccccc1Br)C1(CCO)CCOCC1 ZINC000411505196 563621483 /nfs/dbraw/zinc/62/14/83/563621483.db2.gz WZGZWZJIIIDVMY-UHFFFAOYSA-N 1 0 385.302 2.641 20 0 GFADRO Cc1nc(NC(=O)N2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)ccc1Br ZINC000333156216 563622609 /nfs/dbraw/zinc/62/26/09/563622609.db2.gz NBWTZTBWXLDZEX-HOCLYGCPSA-N 1 0 397.317 2.903 20 0 GFADRO CC(C)OC[C@H](CO)[N@H+](C)CCC(=O)Nc1ccc(Br)cc1F ZINC000411633766 563626959 /nfs/dbraw/zinc/62/69/59/563626959.db2.gz JWRXCGSLCUPWRS-ZDUSSCGKSA-N 1 0 391.281 2.635 20 0 GFADRO COCC[N@H+](CCC(=O)Nc1ccccc1Br)[C@@H]1CCO[C@H]1C ZINC000411656148 563628445 /nfs/dbraw/zinc/62/84/45/563628445.db2.gz PKVWMSNWPUEQFL-XJKSGUPXSA-N 1 0 385.302 2.904 20 0 GFADRO CC(C)[NH+]1CCC(NC(=O)CN[C@@H](C)c2nc(C(F)(F)F)cs2)CC1 ZINC000411688178 563629531 /nfs/dbraw/zinc/62/95/31/563629531.db2.gz MYIVFQFOFSWTFM-NSHDSACASA-N 1 0 378.464 2.802 20 0 GFADRO C[C@@H]1CC2(CN1S(=O)(=O)N(C)Cc1c(F)cccc1Cl)CC[NH2+]CC2 ZINC000333363092 563629600 /nfs/dbraw/zinc/62/96/00/563629600.db2.gz DFOJWDOXMVMKHE-CYBMUJFWSA-N 1 0 389.924 2.620 20 0 GFADRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)NCC3(c4cccc(Br)c4)CC3)C[C@H]12 ZINC000333396951 563630651 /nfs/dbraw/zinc/63/06/51/563630651.db2.gz PMNBIKOYOIMZJH-VBNZEHGJSA-N 1 0 378.314 2.859 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)C(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000434561325 563632678 /nfs/dbraw/zinc/63/26/78/563632678.db2.gz JFZXOPRKBLDBHH-OAHLLOKOSA-N 1 0 394.313 2.829 20 0 GFADRO C[C@@H]([NH2+][C@@H]1CCCCNC1=O)c1ccc(Br)cc1OCCCO ZINC000411747225 563632852 /nfs/dbraw/zinc/63/28/52/563632852.db2.gz VPUBVUSBHUQWHJ-IUODEOHRSA-N 1 0 385.302 2.530 20 0 GFADRO Cc1csc([C@H](NCC(=O)NC2CC[NH+](C(C)C)CC2)C(F)(F)F)n1 ZINC000411767133 563633555 /nfs/dbraw/zinc/63/35/55/563633555.db2.gz FAEGSWOLXGCYQU-AWEZNQCLSA-N 1 0 378.464 2.634 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)C(=O)Nc1ncc(C(C)(C)C)s1)c1cccs1 ZINC000434659789 563634517 /nfs/dbraw/zinc/63/45/17/563634517.db2.gz URVABKSORHOSRB-LLVKDONJSA-N 1 0 380.539 2.860 20 0 GFADRO O=C(N[C@@H]1C[C@H]1c1ccccc1Br)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000333531983 563635312 /nfs/dbraw/zinc/63/53/12/563635312.db2.gz IBMTZUJRZBVZLD-PGRBJRSLSA-N 1 0 378.314 2.992 20 0 GFADRO O=C(NCc1cc2cc(Br)ccc2[nH]1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000333651857 563637803 /nfs/dbraw/zinc/63/78/03/563637803.db2.gz VWWMYPDXFGQIRX-WCQYABFASA-N 1 0 377.286 2.681 20 0 GFADRO [NH3+][C@H]1CCO[C@@H](C2CCN(S(=O)(=O)c3ccc(C(F)(F)F)s3)CC2)C1 ZINC000333645306 563638148 /nfs/dbraw/zinc/63/81/48/563638148.db2.gz IXRFZLOLCCCGTI-NWDGAFQWSA-N 1 0 398.472 2.674 20 0 GFADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)c1cnn(CCF)c1 ZINC000288370750 563640329 /nfs/dbraw/zinc/64/03/29/563640329.db2.gz XKZPUCSXEZCXRP-UHFFFAOYSA-N 1 0 397.292 2.819 20 0 GFADRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)N[C@@H](c3cncc(Br)c3)C3CC3)C[C@@H]12 ZINC000333720826 563640656 /nfs/dbraw/zinc/64/06/56/563640656.db2.gz GOMBXGSSVHVBCG-RAEVTNRLSA-N 1 0 379.302 2.674 20 0 GFADRO C[C@@H]1Cc2cc(S(=O)(=O)N3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)cc(Cl)c2O1 ZINC000333813587 563642627 /nfs/dbraw/zinc/64/26/27/563642627.db2.gz GBWGFGNECKGAQF-PBFPGSCMSA-N 1 0 384.929 2.816 20 0 GFADRO C[C@H](NC(=O)C[NH2+][C@@H](CO)[C@H]1CCCOC1)c1ccc(Cl)cc1Cl ZINC000411989605 563643161 /nfs/dbraw/zinc/64/31/61/563643161.db2.gz HTYKBTYMSKURJR-MKBNYLNASA-N 1 0 375.296 2.548 20 0 GFADRO CC[N@@H+]1CCCC[C@@H]1CNS(=O)(=O)c1cccc(C)c1Br ZINC000435223776 563646113 /nfs/dbraw/zinc/64/61/13/563646113.db2.gz BRHIAEXEWSXOKJ-CYBMUJFWSA-N 1 0 375.332 2.910 20 0 GFADRO C[C@@H]1[C@@H](CO)CCC[N@@H+]1C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000412077197 563646775 /nfs/dbraw/zinc/64/67/75/563646775.db2.gz JSLWMTWSAZEBAR-YRGRVCCFSA-N 1 0 392.721 2.935 20 0 GFADRO COC(=O)[C@@H]1CSCC[N@H+](C[C@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000412091654 563647786 /nfs/dbraw/zinc/64/77/86/563647786.db2.gz YXOISPPQAAGWSW-AAEUAGOBSA-N 1 0 394.320 2.571 20 0 GFADRO CCOC(=O)COc1c(Br)cc(C)cc1CN1CCC[C@H]([NH3+])C1 ZINC000435373877 563648588 /nfs/dbraw/zinc/64/85/88/563648588.db2.gz GILOKWIXIDXIAA-AWEZNQCLSA-N 1 0 385.302 2.623 20 0 GFADRO CCO[C@@H](CC[NH+](C)C)CNS(=O)(=O)c1c(Cl)cc(F)cc1Cl ZINC000435422095 563649813 /nfs/dbraw/zinc/64/98/13/563649813.db2.gz MOZKUGBOWLUKOU-NSHDSACASA-N 1 0 387.304 2.768 20 0 GFADRO Cc1[nH+]c2ccc(Br)cc2c(N2CC[C@@H]3OCC(=O)N[C@H]3C2)c1C ZINC000334020306 563650156 /nfs/dbraw/zinc/65/01/56/563650156.db2.gz CPZVRJWZEQQMGJ-HOTGVXAUSA-N 1 0 390.281 2.708 20 0 GFADRO O=C(NCC[NH+]1CCCCCC1)[C@H]1CC(=O)Nc2ccc(Br)cc21 ZINC000435573580 563653804 /nfs/dbraw/zinc/65/38/04/563653804.db2.gz IOTLHLFWHWQCIR-HNNXBMFYSA-N 1 0 394.313 2.867 20 0 GFADRO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)Nc1cc(Br)c(=O)n(C)c1 ZINC000435589662 563654164 /nfs/dbraw/zinc/65/41/64/563654164.db2.gz ROIOINBAOJIVQC-RYUDHWBXSA-N 1 0 385.306 2.532 20 0 GFADRO COc1cccc([C@H](CNC(=O)c2ncsc2Br)[NH+](C)C)c1 ZINC000288785674 563657112 /nfs/dbraw/zinc/65/71/12/563657112.db2.gz YUVSLGVJBUALEF-LBPRGKRZSA-N 1 0 384.299 2.947 20 0 GFADRO CN1C[C@H](C[NH2+][C@@H](C(N)=O)c2ccc(Br)cc2)Cc2ccccc21 ZINC000435994666 563662393 /nfs/dbraw/zinc/66/23/93/563662393.db2.gz OYIMGZPLKRXZJV-SCLBCKFNSA-N 1 0 388.309 2.874 20 0 GFADRO Cc1cnn(C)c1C[N@@H+]1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000289015533 563664934 /nfs/dbraw/zinc/66/49/34/563664934.db2.gz FWKCLCPXUQJUIQ-ZDUSSCGKSA-N 1 0 392.301 2.737 20 0 GFADRO COCC[NH+]1CCN(Cc2ccc(I)c(Cl)c2)CC1 ZINC000436154173 563665561 /nfs/dbraw/zinc/66/55/61/563665561.db2.gz NIKWOJOGDCXBMU-UHFFFAOYSA-N 1 0 394.684 2.709 20 0 GFADRO CC(C)C[N@H+](CC(N)=O)Cc1ccc(I)c(Cl)c1 ZINC000436157210 563665578 /nfs/dbraw/zinc/66/55/78/563665578.db2.gz YCRFMDZJLJJUKG-UHFFFAOYSA-N 1 0 380.657 2.888 20 0 GFADRO CCO[C@H]1C[C@](CO)([NH2+]Cc2cc3c(cc2Br)OCO3)C1(C)C ZINC000436387677 563670034 /nfs/dbraw/zinc/67/00/34/563670034.db2.gz KKIQNIWTONFBFG-DOTOQJQBSA-N 1 0 386.286 2.834 20 0 GFADRO COCCCN(C1CC[NH+](C)CC1)S(=O)(=O)CCc1cccc(Cl)c1 ZINC000289540965 563677710 /nfs/dbraw/zinc/67/77/10/563677710.db2.gz MLSUVBBLNXBISE-UHFFFAOYSA-N 1 0 388.961 2.645 20 0 GFADRO O=C(c1ccccc1O)N1CCC([NH2+]Cc2cncc(Br)c2)CC1 ZINC000436746319 563678784 /nfs/dbraw/zinc/67/87/84/563678784.db2.gz YABNQHANGJLODQ-UHFFFAOYSA-N 1 0 390.281 2.944 20 0 GFADRO O=C(N1CC[C@@H]2C[NH2+]C[C@H]2C1)C1(c2ccc(Br)cc2)CCOCC1 ZINC000289696066 563683748 /nfs/dbraw/zinc/68/37/48/563683748.db2.gz KCZWWQZGLRMGAI-CABCVRRESA-N 1 0 393.325 2.565 20 0 GFADRO C[N@@H+]1CCN(CCNc2nccc3cc(Br)ccc32)CC1(C)C ZINC000413281696 563688128 /nfs/dbraw/zinc/68/81/28/563688128.db2.gz KZLGEZFBAXJGRE-UHFFFAOYSA-N 1 0 377.330 3.435 20 0 GFADRO C[N@@H+]1C[C@H](NC(=O)c2ccc(Br)cc2O)[C@@H](c2ccccc2)C1 ZINC000437001760 563688692 /nfs/dbraw/zinc/68/86/92/563688692.db2.gz DSISBBCCHGYVJX-CVEARBPZSA-N 1 0 375.266 2.982 20 0 GFADRO COC(=O)c1ccc(C[NH+]2CCC(Cn3cc(Br)cn3)CC2)[nH]1 ZINC000360709357 563694243 /nfs/dbraw/zinc/69/42/43/563694243.db2.gz CJSGBXOGJXLQSB-UHFFFAOYSA-N 1 0 381.274 2.673 20 0 GFADRO CC[N@@H+]1CCCN(C(=O)Nc2nnc(SCc3ccccc3)s2)CC1 ZINC000361052774 563696903 /nfs/dbraw/zinc/69/69/03/563696903.db2.gz OKOXUIKLYIIKJL-UHFFFAOYSA-N 1 0 377.539 3.390 20 0 GFADRO CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@H+](Cc2cnc([C@H](C)O)s2)C1 ZINC000290114676 563698507 /nfs/dbraw/zinc/69/85/07/563698507.db2.gz SZCXXWPFBBYPPZ-RYUDHWBXSA-N 1 0 379.448 2.819 20 0 GFADRO O=C(Cc1ccc(Br)c(F)c1)NC[C@H]1CCC[C@H]1[NH+]1CCOCC1 ZINC000361795203 563701333 /nfs/dbraw/zinc/70/13/33/563701333.db2.gz BBTMBIQWPQKCDX-RHSMWYFYSA-N 1 0 399.304 2.748 20 0 GFADRO O=C(c1cc(-c2ccc(Br)cc2)n[nH]1)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000290217269 563701399 /nfs/dbraw/zinc/70/13/99/563701399.db2.gz SPTUCZJANIMMNB-STQMWFEESA-N 1 0 375.270 2.521 20 0 GFADRO C[N@@H+]1CC[C@@H](NC(=O)c2c[nH]c(=O)c(Br)c2)[C@@H]1c1ccc(F)cc1 ZINC000362144141 563703740 /nfs/dbraw/zinc/70/37/40/563703740.db2.gz ZTALRGTUGKSXCF-CABCVRRESA-N 1 0 394.244 2.864 20 0 GFADRO O=C(NC[C@H](O)C[NH+]1CCCCC1)N[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000438374701 563704988 /nfs/dbraw/zinc/70/49/88/563704988.db2.gz GETITSZRKAEQMY-JLJPHGGASA-N 1 0 386.323 2.995 20 0 GFADRO CC[N@@H+]1CCCN(c2nnc(COc3ccc(Br)cc3)n2C)CC1 ZINC000290334707 563705479 /nfs/dbraw/zinc/70/54/79/563705479.db2.gz AYRMOJDFRRRBIT-UHFFFAOYSA-N 1 0 394.317 2.689 20 0 GFADRO O=C(N[C@H](CO)C[NH+]1CCCCC1)c1ccc(Br)c(Cl)c1F ZINC000413797568 563706003 /nfs/dbraw/zinc/70/60/03/563706003.db2.gz JBJWMMXPYLCDRY-JTQLQIEISA-N 1 0 393.684 2.818 20 0 GFADRO CN(C)C(=O)[C@@H]1CCC[C@@H]([NH2+]Cc2nc3ccccn3c2Br)C1 ZINC000290359293 563707052 /nfs/dbraw/zinc/70/70/52/563707052.db2.gz MQOAENCIHFANOZ-CHWSQXEVSA-N 1 0 379.302 2.833 20 0 GFADRO O=C(c1cc2cc(Br)ccc2[nH]1)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000362442722 563707186 /nfs/dbraw/zinc/70/71/86/563707186.db2.gz RIEWOSYYQGDBFK-IAGOWNOFSA-N 1 0 392.297 2.602 20 0 GFADRO COc1ccsc1S(=O)(=O)N1C[C@@H]2C[N@H+](C)[C@H](c3ccccc3)[C@@H]2C1 ZINC000362829900 563709196 /nfs/dbraw/zinc/70/91/96/563709196.db2.gz LHHDNFMMQOVMAL-ZMSDIMECSA-N 1 0 378.519 2.680 20 0 GFADRO CCCC[N@H+](C)C[C@@H](C)NC(=O)Nc1ccc(NS(C)(=O)=O)c(Cl)c1 ZINC000290455255 563710045 /nfs/dbraw/zinc/71/00/45/563710045.db2.gz SGPSFZWLHGVAPH-GFCCVEGCSA-N 1 0 390.937 2.953 20 0 GFADRO Cn1cc(C[C@@H]2CC[N@H+](Cc3nnc(-c4ccc(Br)o4)o3)C2)cn1 ZINC000362881607 563710505 /nfs/dbraw/zinc/71/05/05/563710505.db2.gz YVXWDLSAVXLPRI-NSHDSACASA-N 1 0 392.257 2.890 20 0 GFADRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C1(c2cccc(Br)c2)CC(=O)C1 ZINC000438909268 563713096 /nfs/dbraw/zinc/71/30/96/563713096.db2.gz IMADRBFBNIBMEU-PXAZEXFGSA-N 1 0 391.309 2.649 20 0 GFADRO CCS(=O)(=O)N1CC(C[NH2+]Cc2ccc(Br)cc2SC)C1 ZINC000438910050 563713416 /nfs/dbraw/zinc/71/34/16/563713416.db2.gz LBBXGCLQQALSBA-UHFFFAOYSA-N 1 0 393.372 2.542 20 0 GFADRO C[C@H]1C[C@H](N(C)Cc2cn(-c3ccccc3Br)nn2)CC[N@@H+]1C ZINC000290555634 563713929 /nfs/dbraw/zinc/71/39/29/563713929.db2.gz XBYLPTXNWATYRX-DZGCQCFKSA-N 1 0 378.318 2.944 20 0 GFADRO CC(C)Cn1cnc(S(=O)(=O)NC[C@H]2CC[N@H+](C)[C@H]2c2cccs2)c1 ZINC000363157444 563715476 /nfs/dbraw/zinc/71/54/76/563715476.db2.gz HLUOSCLYYNYGLH-RHSMWYFYSA-N 1 0 382.555 2.572 20 0 GFADRO C[C@H]([NH2+]C[C@@H](O)COc1ccc(I)cc1)[C@H]1C[C@H]1C ZINC000414077322 563718013 /nfs/dbraw/zinc/71/80/13/563718013.db2.gz PUANDIODLWHWOA-OICBVUGWSA-N 1 0 375.250 2.665 20 0 GFADRO C[NH+](C)C1(CNc2ncc(Br)c(OC(C)(C)C)n2)CCOCC1 ZINC000439161157 563718071 /nfs/dbraw/zinc/71/80/71/563718071.db2.gz BIEIFLGMMDTVDL-UHFFFAOYSA-N 1 0 387.322 2.939 20 0 GFADRO CC(C)[C@](C)(C[NH3+])NC(=O)Nc1ccc(F)cc1I ZINC000415255712 563764317 /nfs/dbraw/zinc/76/43/17/563764317.db2.gz VTBJICIZNWMCHW-ZDUSSCGKSA-N 1 0 379.217 2.925 20 0 GFADRO C[NH+](C)C1(CNc2ccc(-c3ccc(Br)s3)nn2)CCOCC1 ZINC000439168653 563718573 /nfs/dbraw/zinc/71/85/73/563718573.db2.gz PCNNNMIUBHMQMZ-UHFFFAOYSA-N 1 0 397.342 3.490 20 0 GFADRO C[C@H]([NH2+]C[C@H](O)COc1ccccc1Br)c1cc2n(n1)CCC2 ZINC000414087139 563718665 /nfs/dbraw/zinc/71/86/65/563718665.db2.gz ICXPTXUUSMRJTF-JSGCOSHPSA-N 1 0 380.286 2.682 20 0 GFADRO C[C@H](Cn1cc(Br)ccc1=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000414115876 563719629 /nfs/dbraw/zinc/71/96/29/563719629.db2.gz PWDJCVSTLVBQNL-RHSMWYFYSA-N 1 0 382.346 2.853 20 0 GFADRO COc1ccc(Br)c(C(=O)NCCC[NH2+][C@H](C)c2ccn(C)n2)c1 ZINC000414113475 563719647 /nfs/dbraw/zinc/71/96/47/563719647.db2.gz KQJHZJWLRWZJIV-GFCCVEGCSA-N 1 0 395.301 2.662 20 0 GFADRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2S(=O)(=O)c2ccc(F)cc2Br)C1 ZINC000363331470 563719715 /nfs/dbraw/zinc/71/97/15/563719715.db2.gz JOSBNTIUIAFXCZ-SMDDNHRTSA-N 1 0 391.306 2.693 20 0 GFADRO COc1ccc(Cl)cc1NC(=O)CCN1CC[NH+]([C@H]2CCSC2)CC1 ZINC000363363867 563720156 /nfs/dbraw/zinc/72/01/56/563720156.db2.gz GPYFGRAVNYSWPC-HNNXBMFYSA-N 1 0 383.945 2.800 20 0 GFADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@@](C)(CO)c1ccccc1 ZINC000414165348 563720882 /nfs/dbraw/zinc/72/08/82/563720882.db2.gz POFQPQSOPOWNIZ-KDOFPFPSSA-N 1 0 379.298 2.539 20 0 GFADRO O[C@@H](C[NH2+][C@@H](c1ccc(Br)cc1Cl)C1CC1)Cn1ccnn1 ZINC000414197538 563721752 /nfs/dbraw/zinc/72/17/52/563721752.db2.gz VZVTYKCFKTWVBG-SWLSCSKDSA-N 1 0 385.693 2.796 20 0 GFADRO COCCNC(=O)C1([NH2+][C@@H]2CCc3c2cc(Cl)cc3Br)CC1 ZINC000414194157 563721916 /nfs/dbraw/zinc/72/19/16/563721916.db2.gz XQBALDOQEYIOBC-CQSZACIVSA-N 1 0 387.705 2.975 20 0 GFADRO CCCC(=O)N1CCC[N@H+](C[C@H](O)COc2cccc(Br)c2)CC1 ZINC000363431898 563722099 /nfs/dbraw/zinc/72/20/99/563722099.db2.gz AQFJOPBXJLPPLK-INIZCTEOSA-N 1 0 399.329 2.523 20 0 GFADRO CC[C@]1(CO)CCC[N@@H+]1CC(=O)N(C)CCOc1ccc(Br)cc1 ZINC000439290830 563722165 /nfs/dbraw/zinc/72/21/65/563722165.db2.gz CKFPHWYTIJMXRJ-GOSISDBHSA-N 1 0 399.329 2.523 20 0 GFADRO COCC[C@@H](C)C[NH2+][C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000414213618 563722662 /nfs/dbraw/zinc/72/26/62/563722662.db2.gz YDWAVXYDHLEHHZ-BXUZGUMPSA-N 1 0 376.316 2.930 20 0 GFADRO C[C@H](CNC(=O)C1CCN(C(=O)c2ccc(Cl)s2)CC1)[N@H+](C)C1CC1 ZINC000363463500 563723608 /nfs/dbraw/zinc/72/36/08/563723608.db2.gz PPZSOCGAABGETR-GFCCVEGCSA-N 1 0 383.945 2.853 20 0 GFADRO C[C@@H]1C[C@@H]([N@H+](C)C[C@H](O)COc2cc(F)cc(Br)c2)CCN1C ZINC000439438590 563724448 /nfs/dbraw/zinc/72/44/48/563724448.db2.gz KNCBMCXFJBNYQJ-KCXAZCMYSA-N 1 0 389.309 2.742 20 0 GFADRO Brc1cccc(-c2c[nH]c(CNC[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)n2)c1 ZINC000363525285 563725170 /nfs/dbraw/zinc/72/51/70/563725170.db2.gz MQDJSGVJYZMVTB-HZPDHXFCSA-N 1 0 391.313 2.792 20 0 GFADRO CC(C)NC(=O)Nc1ccc(C[NH2+]Cc2ccc(S(C)(=O)=O)s2)cc1 ZINC000414297018 563725549 /nfs/dbraw/zinc/72/55/49/563725549.db2.gz RTEOVEAWJUIWSR-UHFFFAOYSA-N 1 0 381.523 2.971 20 0 GFADRO C[C@@H]1CCC[C@@H](CO)[N@@H+]1C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000439449474 563725806 /nfs/dbraw/zinc/72/58/06/563725806.db2.gz ISUXYLGIPAMIAJ-BYCMXARLSA-N 1 0 376.266 2.563 20 0 GFADRO Cc1ncc(C[N@@H+]2CC[C@H](NC(=O)c3cc(N)nc(Cl)c3)[C@@H](C)C2)s1 ZINC000363552042 563725957 /nfs/dbraw/zinc/72/59/57/563725957.db2.gz WLLMAWVFNKNWPN-HZMBPMFUSA-N 1 0 379.917 2.723 20 0 GFADRO O[C@H](COc1cc(F)cc(Br)c1)C[N@@H+]1CCC2(C1)CCOCC2 ZINC000439464693 563726482 /nfs/dbraw/zinc/72/64/82/563726482.db2.gz UVXVLGVHSZJUQV-HNNXBMFYSA-N 1 0 388.277 2.830 20 0 GFADRO CCC[NH+]1CCC(N2CCN(C(=O)c3occc3Br)CC2)CC1 ZINC000363596101 563727515 /nfs/dbraw/zinc/72/75/15/563727515.db2.gz YTZRLTUENFVQNN-UHFFFAOYSA-N 1 0 384.318 2.674 20 0 GFADRO C[NH+](C)[C@H]1CCc2ccccc2[C@H]1NC(=O)CSc1n[n-]c(=S)s1 ZINC000363587208 563727523 /nfs/dbraw/zinc/72/75/23/563727523.db2.gz QDIBTUCZMOFKCO-GXTWGEPZSA-N 1 0 380.564 2.653 20 0 GFADRO C[C@H](CN[C@H](C(N)=O)c1ccc(Br)cc1F)[N@@H+]1CCCC[C@H]1C ZINC000439557881 563728222 /nfs/dbraw/zinc/72/82/22/563728222.db2.gz WGVKFZDYQBENBV-HSMVNMDESA-N 1 0 386.309 2.967 20 0 GFADRO CN1CC[NH+](C[C@H]2CCCN(C(=O)CSc3ccccc3Cl)C2)CC1 ZINC000363652798 563728900 /nfs/dbraw/zinc/72/89/00/563728900.db2.gz UYITTZICBLXTOB-MRXNPFEDSA-N 1 0 381.973 2.918 20 0 GFADRO C[C@@H]1C[C@H]([NH2+]CCCCn2cc(C(N)=O)nn2)c2cccc(Br)c21 ZINC000414354658 563729282 /nfs/dbraw/zinc/72/92/82/563729282.db2.gz VSIHFYJBIYOTTA-RISCZKNCSA-N 1 0 392.301 2.758 20 0 GFADRO COc1cc(OC)cc(OCCC[NH2+]Cc2ccc(S(C)(=O)=O)s2)c1 ZINC000414364086 563730171 /nfs/dbraw/zinc/73/01/71/563730171.db2.gz LZYTXWDKWBVAHJ-UHFFFAOYSA-N 1 0 385.507 2.728 20 0 GFADRO C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1NC(=O)Nc1ccc(Br)nc1 ZINC000363759726 563732356 /nfs/dbraw/zinc/73/23/56/563732356.db2.gz XALAYWVPGIUSQJ-VHDGCEQUSA-N 1 0 397.317 2.855 20 0 GFADRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NS(=O)(=O)c1ccc(F)cc1Br ZINC000440084575 563736109 /nfs/dbraw/zinc/73/61/09/563736109.db2.gz WRUZLBMAWFFEMZ-VXGBXAGGSA-N 1 0 393.322 2.987 20 0 GFADRO COC(=O)[C@@H](Cc1ccccc1)[C@@H](C)[NH2+]Cc1ccc(S(C)(=O)=O)s1 ZINC000414445610 563738256 /nfs/dbraw/zinc/73/82/56/563738256.db2.gz HQWOFHVZHVFTHS-CJNGLKHVSA-N 1 0 381.519 2.662 20 0 GFADRO Cc1cc(S(=O)(=O)N[C@H](C)[C@H]2CCC[NH2+]C2)c(C)cc1Br ZINC000440355414 563739882 /nfs/dbraw/zinc/73/98/82/563739882.db2.gz MUICTORDTDFHRH-OLZOCXBDSA-N 1 0 375.332 2.732 20 0 GFADRO C[N@H+]1C[C@@H](c2ccccc2)[C@H](NS(=O)(=O)Cc2cc(Cl)ccc2F)C1 ZINC000414457852 563740171 /nfs/dbraw/zinc/74/01/71/563740171.db2.gz GUJLMTOOMRCRHZ-FUHWJXTLSA-N 1 0 382.888 2.996 20 0 GFADRO CN(CC(C)(C)C[NH3+])S(=O)(=O)c1cc(Br)sc1Cl ZINC000440411313 563741789 /nfs/dbraw/zinc/74/17/89/563741789.db2.gz QFCXQNAHRMCCSX-UHFFFAOYSA-N 1 0 375.741 2.769 20 0 GFADRO Cc1ccc(Cl)c(S(=O)(=O)N2CC[C@H](OCC[NH+]3CCCCC3)C2)c1 ZINC000414465715 563741908 /nfs/dbraw/zinc/74/19/08/563741908.db2.gz SMVOLUXFTGEBDY-INIZCTEOSA-N 1 0 386.945 2.914 20 0 GFADRO CC(C)(CC[NH2+]Cc1csc(-c2ccc3c(c2)OCO3)n1)S(C)(=O)=O ZINC000414519620 563745881 /nfs/dbraw/zinc/74/58/81/563745881.db2.gz XOYCUCZQGUJONZ-UHFFFAOYSA-N 1 0 382.507 2.842 20 0 GFADRO [NH3+][C@H]1CCC[C@@]12CCN(C(=O)c1ccc(I)c(F)c1)C2 ZINC000364199212 563746271 /nfs/dbraw/zinc/74/62/71/563746271.db2.gz AFHPNGGQLXSVCT-ZFWWWQNUSA-N 1 0 388.224 2.774 20 0 GFADRO C[N@@H+]1CCN(CCNc2ccc3cc(Br)ccc3n2)CC1(C)C ZINC000440681255 563747465 /nfs/dbraw/zinc/74/74/65/563747465.db2.gz SSSXNWMLLWECJJ-UHFFFAOYSA-N 1 0 377.330 3.435 20 0 GFADRO CCCC[N@H+](C)C[C@H](C)NC(=O)NCc1ccc(S(C)(=O)=O)c(Cl)c1 ZINC000291574453 563748042 /nfs/dbraw/zinc/74/80/42/563748042.db2.gz OSJRWWZOUWECIL-ZDUSSCGKSA-N 1 0 389.949 2.663 20 0 GFADRO O=C(Nc1ccccc1I)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000414663905 563749277 /nfs/dbraw/zinc/74/92/77/563749277.db2.gz SILRGGCHQAHGQR-HNNXBMFYSA-N 1 0 385.249 2.899 20 0 GFADRO C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)Nc1ccc(I)cc1 ZINC000414683073 563750270 /nfs/dbraw/zinc/75/02/70/563750270.db2.gz SLNIFQCIUGIWDP-JOYOIKCWSA-N 1 0 389.237 2.526 20 0 GFADRO Cc1ccc(NC(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])c(Br)c1 ZINC000414701094 563750741 /nfs/dbraw/zinc/75/07/41/563750741.db2.gz TYGXMUGGJKMSQW-CYBMUJFWSA-N 1 0 397.317 2.609 20 0 GFADRO [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)Nc1cccc(I)c1 ZINC000414700758 563750833 /nfs/dbraw/zinc/75/08/33/563750833.db2.gz VLJMNRZAZJLTKI-CNGMEFBOSA-N 1 0 385.249 2.929 20 0 GFADRO C[C@@H](CC[NH3+])NS(=O)(=O)c1cc(Br)c(Cl)cc1Cl ZINC000440825114 563750991 /nfs/dbraw/zinc/75/09/91/563750991.db2.gz ISOHYUFVGSWOGX-LURJTMIESA-N 1 0 376.103 2.772 20 0 GFADRO CCOc1c(Br)cc(Cl)cc1NC(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000414777963 563752872 /nfs/dbraw/zinc/75/28/72/563752872.db2.gz PLLISKDHPHFCQK-JTQLQIEISA-N 1 0 392.681 2.611 20 0 GFADRO COc1ccc(Br)c(CNC(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c1 ZINC000440913377 563753261 /nfs/dbraw/zinc/75/32/61/563753261.db2.gz XZQGDVWLVAMHTJ-DGCLKSJQSA-N 1 0 382.302 2.882 20 0 GFADRO FC1(F)CC[NH2+]C[C@@H]1NCc1ncc(Br)cc1Br ZINC000414991062 563756193 /nfs/dbraw/zinc/75/61/93/563756193.db2.gz AAXCGPHIWNBKMI-JTQLQIEISA-N 1 0 385.050 2.693 20 0 GFADRO C[C@@H](C[NH3+])CNC(=O)Nc1ccc(=O)n(Cc2ccc(Cl)c(Cl)c2)c1 ZINC000415046676 563756884 /nfs/dbraw/zinc/75/68/84/563756884.db2.gz DCJIXKAVTPMBJP-NSHDSACASA-N 1 0 383.279 2.920 20 0 GFADRO COc1cc(CN[C@@H](C[NH3+])C(C)(C)C)cc(I)c1OC ZINC000415057395 563757939 /nfs/dbraw/zinc/75/79/39/563757939.db2.gz SLBRYICWTMTGMZ-ZDUSSCGKSA-N 1 0 392.281 2.771 20 0 GFADRO C[C@H]1CCNC(=O)[C@H]1[NH2+]Cc1ccc(I)c(Cl)c1 ZINC000441338722 563758321 /nfs/dbraw/zinc/75/83/21/563758321.db2.gz UHBLKOSVQXSQEH-UFBFGSQYSA-N 1 0 378.641 2.559 20 0 GFADRO Cc1ccc(NC(=O)CN2CC[C@@]3(C2)CCCN(C)C3=O)c(Br)c1 ZINC000364600238 563758469 /nfs/dbraw/zinc/75/84/69/563758469.db2.gz BFLBOHYYGBNJSS-GOSISDBHSA-N 1 0 394.313 2.640 20 0 GFADRO [NH3+][C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(=O)[nH]c2ccc(Br)cc21 ZINC000364581720 563758682 /nfs/dbraw/zinc/75/86/82/563758682.db2.gz QZDUZQIQJBCELG-CNDDSTCGSA-N 1 0 376.254 2.797 20 0 GFADRO COc1ccc(I)c(NC(=O)N[C@H](C[NH3+])C(C)(C)C)c1 ZINC000415078381 563758972 /nfs/dbraw/zinc/75/89/72/563758972.db2.gz VOXMTTINPVRGQO-GFCCVEGCSA-N 1 0 391.253 2.795 20 0 GFADRO [NH3+]Cc1cn([C@H]2CCCN(Cc3ccc(Br)c(Cl)c3)C2)nn1 ZINC000415125414 563760184 /nfs/dbraw/zinc/76/01/84/563760184.db2.gz LECFNUXFXHIMGB-ZDUSSCGKSA-N 1 0 384.709 2.990 20 0 GFADRO CC(C)(C)S(=O)(=O)Cc1cccc(NC(=O)N[C@@H](CC[NH3+])C(F)F)c1 ZINC000415173320 563761747 /nfs/dbraw/zinc/76/17/47/563761747.db2.gz RIPDQRIAKPSSLZ-ZDUSSCGKSA-N 1 0 377.457 2.504 20 0 GFADRO CC1(C)[NH2+]CC[C@H]1NC(=O)Nc1cc(Br)ccc1-n1cccn1 ZINC000415166194 563761862 /nfs/dbraw/zinc/76/18/62/563761862.db2.gz RCURETFHGXCEKK-CQSZACIVSA-N 1 0 378.274 2.897 20 0 GFADRO [NH3+]C[C@@H]1CCN(C(=O)Nc2cc(Br)cnc2OCC(F)(F)F)C1 ZINC000415180183 563761936 /nfs/dbraw/zinc/76/19/36/563761936.db2.gz WAEHGHSPRNEHHK-QMMMGPOBSA-N 1 0 397.195 2.598 20 0 GFADRO [NH3+]C[C@@H]1CCN(C(=O)Nc2ccc(CCn3cc(Br)cn3)cc2)C1 ZINC000415210608 563762580 /nfs/dbraw/zinc/76/25/80/563762580.db2.gz KUWOFOFNFWYEDT-AWEZNQCLSA-N 1 0 392.301 2.701 20 0 GFADRO Cc1nn(-c2ccc(Cl)c(Cl)c2)c(NC(=O)N(C)C[C@@H](O)C[NH3+])c1C ZINC000415194821 563762595 /nfs/dbraw/zinc/76/25/95/563762595.db2.gz NIWVPKSHAJYOCQ-LBPRGKRZSA-N 1 0 386.283 2.579 20 0 GFADRO C[C@@H](C[NH3+])CNC(=O)c1ccccc1Sc1ccc(S(C)(=O)=O)cc1 ZINC000441615819 563763214 /nfs/dbraw/zinc/76/32/14/563763214.db2.gz SFZQZTCDNOBNQA-ZDUSSCGKSA-N 1 0 378.519 2.566 20 0 GFADRO CC1(C)CN(C(=O)Nc2ccc(F)cc2I)CC[NH2+]1 ZINC000415249506 563763522 /nfs/dbraw/zinc/76/35/22/563763522.db2.gz JKRGUDBIOHOXCQ-UHFFFAOYSA-N 1 0 377.201 2.646 20 0 GFADRO C[NH+]1CCC2(CCCN2C(=O)C(=O)Nc2ccc(Br)cc2F)CC1 ZINC000364774275 563763854 /nfs/dbraw/zinc/76/38/54/563763854.db2.gz UGWLTPGXXWFPJR-UHFFFAOYSA-N 1 0 398.276 2.614 20 0 GFADRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1N(C)C(=O)CSc1nncs1 ZINC000364814324 563764664 /nfs/dbraw/zinc/76/46/64/563764664.db2.gz PDBGBVQVJUGBNI-GDBMZVCRSA-N 1 0 376.551 2.999 20 0 GFADRO C[NH+](C)CC1CCC(NS(=O)(=O)c2cc(F)ccc2Br)CC1 ZINC000441862662 563764924 /nfs/dbraw/zinc/76/49/24/563764924.db2.gz FKNHLMUOQJGKRP-UHFFFAOYSA-N 1 0 393.322 2.987 20 0 GFADRO [NH3+]C1(CNC(=O)C(=O)Nc2cc(Cl)ccc2Br)CCCCC1 ZINC000415284286 563765485 /nfs/dbraw/zinc/76/54/85/563765485.db2.gz VIXCKJGWUXIMHP-UHFFFAOYSA-N 1 0 388.693 2.819 20 0 GFADRO Cc1cc(NC(=O)C(=O)NCC2([NH3+])CCCCC2)cc(C)c1Br ZINC000415295972 563766171 /nfs/dbraw/zinc/76/61/71/563766171.db2.gz SUTTWOVMOUJNCH-UHFFFAOYSA-N 1 0 382.302 2.782 20 0 GFADRO [NH3+][C@@H]1CCCN(C(=O)Nc2cccc(Oc3ncc(Br)cn3)c2)C1 ZINC000415297299 563766304 /nfs/dbraw/zinc/76/63/04/563766304.db2.gz DUSQXLVRZMIVLD-GFCCVEGCSA-N 1 0 392.257 2.986 20 0 GFADRO [NH3+]CC1CCN(C(=O)C(=O)Nc2cccnc2-c2ccc(Cl)s2)CC1 ZINC000415312050 563766697 /nfs/dbraw/zinc/76/66/97/563766697.db2.gz SGIBORGRXQFWBT-UHFFFAOYSA-N 1 0 378.885 2.599 20 0 GFADRO COc1ccc(Br)c(NC(=O)C(=O)NCC2([NH3+])CCCCCC2)c1 ZINC000415319750 563766786 /nfs/dbraw/zinc/76/67/86/563766786.db2.gz UQIPSPGUNJGURI-UHFFFAOYSA-N 1 0 398.301 2.564 20 0 GFADRO CCOC(=O)c1c(NC(=O)N2CC[C@@](C)(C[NH3+])C2)sc2c1CCSC2 ZINC000415326475 563767376 /nfs/dbraw/zinc/76/73/76/563767376.db2.gz ACCOJJNPESOSNX-KRWDZBQOSA-N 1 0 383.539 2.917 20 0 GFADRO Cc1cnc(Br)c(NC(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)c1 ZINC000291983591 563767430 /nfs/dbraw/zinc/76/74/30/563767430.db2.gz FUYWSZIQVFYJDD-ZDUSSCGKSA-N 1 0 397.317 2.775 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)CC[N@@H+]1C ZINC000442137780 563768334 /nfs/dbraw/zinc/76/83/34/563768334.db2.gz OWXQDECFZGVRKQ-MWLCHTKSSA-N 1 0 377.794 2.896 20 0 GFADRO C[C@@H](CO)[N@@H+]1CCCN(C(=O)c2csc(-c3ccc(Cl)cc3)n2)CC1 ZINC000364936506 563769277 /nfs/dbraw/zinc/76/92/77/563769277.db2.gz OLCXUYASDRIBTN-ZDUSSCGKSA-N 1 0 379.913 2.992 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)c(NC(=O)N[C@@H]2CC[NH2+]C2)c1C ZINC000415371532 563771481 /nfs/dbraw/zinc/77/14/81/563771481.db2.gz SQXNFXBVJDFZCG-CYBMUJFWSA-N 1 0 378.274 2.735 20 0 GFADRO C[C@@H]([NH3+])C1CCN(C(=O)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)CC1 ZINC000415385136 563772074 /nfs/dbraw/zinc/77/20/74/563772074.db2.gz NQGJLUJMSSUKGY-SECBINFHSA-N 1 0 377.794 2.883 20 0 GFADRO Cc1cc(F)c(NC(=O)N2CCC[C@H]2C[NH3+])c(I)c1 ZINC000415400353 563772521 /nfs/dbraw/zinc/77/25/21/563772521.db2.gz ZHJWRUACOUZREA-VIFPVBQESA-N 1 0 377.201 2.694 20 0 GFADRO C[C@@H]([NH3+])C1CCN(C(=O)C(=O)Nc2cc(Cl)ccc2Br)CC1 ZINC000415395243 563772861 /nfs/dbraw/zinc/77/28/61/563772861.db2.gz MKVKOBMRHFNUCW-SECBINFHSA-N 1 0 388.693 2.627 20 0 GFADRO COC(=O)c1cc(NC(=O)N2C[C@@H](C)[C@](C)(C[NH3+])C2)ccc1Br ZINC000415407546 563773069 /nfs/dbraw/zinc/77/30/69/563773069.db2.gz PXICYNVWJXTEEZ-QLJPJBMISA-N 1 0 384.274 2.684 20 0 GFADRO C[N@@H+]1CC[C@@]2(CCN(C(=O)NCc3cc(F)c(F)cc3Br)C2)C1 ZINC000292081012 563773084 /nfs/dbraw/zinc/77/30/84/563773084.db2.gz RDKGKXBVGFBPRS-MRXNPFEDSA-N 1 0 388.256 2.965 20 0 GFADRO COC(=O)c1cc(NC(=O)N2CC[C@@H](C)[C@H](C[NH3+])C2)ccc1Br ZINC000415402189 563773288 /nfs/dbraw/zinc/77/32/88/563773288.db2.gz IMBJXZLGTDNUSA-GHMZBOCLSA-N 1 0 384.274 2.684 20 0 GFADRO COC(=O)c1cc(NC(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)ccc1Br ZINC000415410987 563773563 /nfs/dbraw/zinc/77/35/63/563773563.db2.gz VNSGXZWRXWNQLH-PSOPSSQASA-N 1 0 396.285 2.827 20 0 GFADRO COC(=O)c1cc(NC(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)ccc1Br ZINC000415408547 563773623 /nfs/dbraw/zinc/77/36/23/563773623.db2.gz QZAAZQMMVTUKCP-QJPTWQEYSA-N 1 0 396.285 2.745 20 0 GFADRO COC(=O)c1cc(NC(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)ccc1Br ZINC000415409398 563773625 /nfs/dbraw/zinc/77/36/25/563773625.db2.gz SSMFEUVCGBQLDV-SWLSCSKDSA-N 1 0 396.285 2.745 20 0 GFADRO C[C@H]1CN(C(=O)C(=O)Nc2ccc(-c3ccc(Cl)s3)nc2)CC[C@H]1[NH3+] ZINC000415434162 563775655 /nfs/dbraw/zinc/77/56/55/563775655.db2.gz AWBNHKDVZXLBEU-CMPLNLGQSA-N 1 0 378.885 2.598 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)Nc2cccc(Cl)c2Br)C1 ZINC000415437621 563775798 /nfs/dbraw/zinc/77/57/98/563775798.db2.gz KPPTVRITADFPBJ-UWVGGRQHSA-N 1 0 388.693 2.627 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)Nc2cccc(Br)c2Cl)C1 ZINC000415439840 563776375 /nfs/dbraw/zinc/77/63/75/563776375.db2.gz LXHFVDCKHCOWGP-UWVGGRQHSA-N 1 0 388.693 2.627 20 0 GFADRO O=C(NCCCC[N@H+]1CCC[C@H]1CO)c1cn2cc(Cl)cc(Cl)c2n1 ZINC000442649348 563776833 /nfs/dbraw/zinc/77/68/33/563776833.db2.gz NZMJCWNQKPQHCR-ZDUSSCGKSA-N 1 0 385.295 2.608 20 0 GFADRO CCOCCOc1ccc(Br)cc1NC(=O)N[C@H]1CCC[NH2+]C1 ZINC000415468276 563777742 /nfs/dbraw/zinc/77/77/42/563777742.db2.gz VPVZSCRDGJQJDE-ZDUSSCGKSA-N 1 0 386.290 2.738 20 0 GFADRO O=C(NC[C@@H]1C[NH2+]CCO1)Nc1ccc(Br)c(Cl)c1Cl ZINC000415476053 563778344 /nfs/dbraw/zinc/77/83/44/563778344.db2.gz RNBOOVNQEVLBCE-ZETCQYMHSA-N 1 0 383.073 2.866 20 0 GFADRO C[C@H](NC(=O)CN1CC[C@]2(CC[N@H+](C)C2)C1)c1ccc(Br)cc1 ZINC000292204660 563778681 /nfs/dbraw/zinc/77/86/81/563778681.db2.gz SODOAARSYNPXKY-KSSFIOAISA-N 1 0 380.330 2.654 20 0 GFADRO COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)N(C)CC[C@@H]([NH3+])C(C)C ZINC000415484834 563778777 /nfs/dbraw/zinc/77/87/77/563778777.db2.gz ISECNIXWIVIPDM-GFCCVEGCSA-N 1 0 376.284 2.772 20 0 GFADRO CC1(CNC(=O)Nc2nnc(-c3c(F)cccc3Cl)s2)CC[NH2+]CC1 ZINC000415506093 563780139 /nfs/dbraw/zinc/78/01/39/563780139.db2.gz AQAKPIBKUNHYKV-UHFFFAOYSA-N 1 0 383.880 3.509 20 0 GFADRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)Nc1ccnn1Cc1ccccc1Br ZINC000415519316 563780719 /nfs/dbraw/zinc/78/07/19/563780719.db2.gz FOKMUWQVSXZDLM-DOMZBBRYSA-N 1 0 392.301 2.813 20 0 GFADRO O=C(Nc1cc(F)ccc1Br)C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000415513133 563780996 /nfs/dbraw/zinc/78/09/96/563780996.db2.gz DLDJXLPLGQLETF-AWEZNQCLSA-N 1 0 398.276 2.517 20 0 GFADRO O=C(Nc1ccnn1Cc1ccc(Br)cc1)N1CCC[NH2+]CC1 ZINC000415520275 563781466 /nfs/dbraw/zinc/78/14/66/563781466.db2.gz ATDYMFZYEKSGAX-UHFFFAOYSA-N 1 0 378.274 2.521 20 0 GFADRO C[C@@H]1CN(C(=O)Nc2ccnn2Cc2ccccc2Br)[C@@H](C)C[NH2+]1 ZINC000415523767 563781881 /nfs/dbraw/zinc/78/18/81/563781881.db2.gz QTWNRMZUSXMRRA-OLZOCXBDSA-N 1 0 392.301 2.908 20 0 GFADRO CC1(C)CN(C(=O)Nc2ccnn2Cc2cccc(Br)c2)CC[NH2+]1 ZINC000415526467 563782542 /nfs/dbraw/zinc/78/25/42/563782542.db2.gz ZVLYFEQOHXMYPP-UHFFFAOYSA-N 1 0 392.301 2.910 20 0 GFADRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)Nc1ccnn1Cc1cccc(Br)c1 ZINC000415526666 563782678 /nfs/dbraw/zinc/78/26/78/563782678.db2.gz JFBVQFOVMTZPHV-GXTWGEPZSA-N 1 0 392.301 2.895 20 0 GFADRO CN(C)C(=O)CC[N@H+](C)Cc1cccc(Br)c1OC[C@@H]1CCCO1 ZINC000442888117 563782901 /nfs/dbraw/zinc/78/29/01/563782901.db2.gz DVWVIIPQYAZHPO-HNNXBMFYSA-N 1 0 399.329 2.917 20 0 GFADRO CCOc1ccc(NC(=O)NC[C@@]2(COC)CCC[NH2+]2)cc1Br ZINC000415534990 563783285 /nfs/dbraw/zinc/78/32/85/563783285.db2.gz KVXWMBQFHSFMAR-MRXNPFEDSA-N 1 0 386.290 2.738 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)Nc2ccnn2Cc2ccc(Br)cc2)C1 ZINC000415534043 563783305 /nfs/dbraw/zinc/78/33/05/563783305.db2.gz UPFQBWYTQRPOKI-GXTWGEPZSA-N 1 0 392.301 2.895 20 0 GFADRO O=C(Nc1ccnn1Cc1ccc(Br)cc1)NC1CC[NH2+]CC1 ZINC000415534521 563783317 /nfs/dbraw/zinc/78/33/17/563783317.db2.gz VCGVQOZJRSFYRH-UHFFFAOYSA-N 1 0 378.274 2.567 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000415547995 563783713 /nfs/dbraw/zinc/78/37/13/563783713.db2.gz DRTCKJUFTMBCNI-UHFFFAOYSA-N 1 0 394.313 2.552 20 0 GFADRO CC(C)c1cc(Br)ccc1NC(=O)C(=O)N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000415575055 563784962 /nfs/dbraw/zinc/78/49/62/563784962.db2.gz PBPKYMKIQNHGLG-NWDGAFQWSA-N 1 0 382.302 2.707 20 0 GFADRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)Nc1ccc(Br)c2ccccc12 ZINC000415572655 563785117 /nfs/dbraw/zinc/78/51/17/563785117.db2.gz UWQRXBSDJARAKA-NWDGAFQWSA-N 1 0 390.281 2.750 20 0 GFADRO CC1(CNC(=O)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)CC[NH2+]CC1 ZINC000415569049 563785152 /nfs/dbraw/zinc/78/51/52/563785152.db2.gz JLUOFXBKVWPSBA-UHFFFAOYSA-N 1 0 377.794 2.803 20 0 GFADRO COC[C@]1(CNC(=O)Nc2cc(Br)c(F)cc2F)CCC[NH2+]1 ZINC000415571187 563785172 /nfs/dbraw/zinc/78/51/72/563785172.db2.gz TWJORTAUHVYVCM-CQSZACIVSA-N 1 0 378.217 2.617 20 0 GFADRO C[C@]1(CNC(=O)C(=O)Nc2cccc(Br)c2Cl)CCC[NH2+]C1 ZINC000415570946 563785270 /nfs/dbraw/zinc/78/52/70/563785270.db2.gz MQODNHJTNZSBKT-HNNXBMFYSA-N 1 0 388.693 2.547 20 0 GFADRO COC(=O)c1c(C)c(NC(=O)N(C)[C@@H](C[NH3+])C2CC2)ccc1Br ZINC000415591173 563785657 /nfs/dbraw/zinc/78/56/57/563785657.db2.gz ADHPLRBDLOLVSW-ZDUSSCGKSA-N 1 0 384.274 2.745 20 0 GFADRO COc1ccc(NC(=O)NCCC[NH2+]C2CC2)c(I)c1 ZINC000415596171 563786225 /nfs/dbraw/zinc/78/62/25/563786225.db2.gz LJSQLCUVWAYBMT-UHFFFAOYSA-N 1 0 389.237 2.563 20 0 GFADRO COc1ccc(NC(=O)N2CC[C@H]([C@@H](C)[NH3+])C2)c(I)c1 ZINC000415597118 563786425 /nfs/dbraw/zinc/78/64/25/563786425.db2.gz MTTKBNIHAFPQHI-ZJUUUORDSA-N 1 0 389.237 2.501 20 0 GFADRO COC(=O)c1c(C)c(NC(=O)N2CC[C@](C)(C[NH3+])C2)ccc1Br ZINC000415601066 563786931 /nfs/dbraw/zinc/78/69/31/563786931.db2.gz PHSWCABUFDAHRN-MRXNPFEDSA-N 1 0 384.274 2.747 20 0 GFADRO COC(=O)c1cccc(NC(=O)N2CCC[C@H](C)[C@H]2C[NH3+])c1Br ZINC000415608652 563787529 /nfs/dbraw/zinc/78/75/29/563787529.db2.gz LYCNFUXJFAOMLZ-GXFFZTMASA-N 1 0 384.274 2.827 20 0 GFADRO CSCC[C@@H](NC(=O)c1ccccc1Cl)C(=O)NC[C@@H](C)C[NH+](C)C ZINC000292464659 563787793 /nfs/dbraw/zinc/78/77/93/563787793.db2.gz UOOKWTDBIQSDCR-CZUORRHYSA-N 1 0 385.961 2.505 20 0 GFADRO O=C(N1CCC(Cn2cc(Br)cn2)CC1)C12CCC[NH+]1CCC2 ZINC000365594064 563788417 /nfs/dbraw/zinc/78/84/17/563788417.db2.gz FEHMDXVTFFSHLU-UHFFFAOYSA-N 1 0 381.318 2.513 20 0 GFADRO Cc1cc(C[NH+]2CCC(N(C)Cc3c(Br)c(C)nn3C)CC2)on1 ZINC000365599308 563788440 /nfs/dbraw/zinc/78/84/40/563788440.db2.gz NCOHRZCBKSKVJU-UHFFFAOYSA-N 1 0 396.333 2.884 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)N[C@H](c2ccc(F)c(Cl)c2)C(F)(F)F)CCCO1 ZINC000415621092 563788698 /nfs/dbraw/zinc/78/86/98/563788698.db2.gz VSCKOTBUEVUUHV-GXFFZTMASA-N 1 0 383.773 2.842 20 0 GFADRO COC(=O)c1cc(F)c(Br)cc1NC(=O)N[C@H](C)CCC[NH3+] ZINC000415630791 563788903 /nfs/dbraw/zinc/78/89/03/563788903.db2.gz HODZNYSVJNIQAE-MRVPVSSYSA-N 1 0 376.226 2.624 20 0 GFADRO COC(=O)c1cc(F)c(Br)cc1NC(=O)N(C)[C@@H](C[NH3+])C1CC1 ZINC000415633072 563789477 /nfs/dbraw/zinc/78/94/77/563789477.db2.gz ZGTRTQMGMICYIV-ZDUSSCGKSA-N 1 0 388.237 2.576 20 0 GFADRO C[NH2+][C@H]1CCN(C(=O)Nc2cc(Br)cc(C(=O)N3CCCC3)c2)C1 ZINC000415643726 563789825 /nfs/dbraw/zinc/78/98/25/563789825.db2.gz YAFTYGGMCKSFAK-AWEZNQCLSA-N 1 0 395.301 2.511 20 0 GFADRO COC(=O)c1ccc(Cl)cc1S(=O)(=O)NCC[NH+]1[C@H](C)CCC[C@H]1C ZINC000443066897 563790238 /nfs/dbraw/zinc/79/02/38/563790238.db2.gz IQHRRSBNWSNROZ-CHWSQXEVSA-N 1 0 388.917 2.668 20 0 GFADRO [NH3+]CC[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(Cl)c(Br)c2)C1 ZINC000415679658 563791323 /nfs/dbraw/zinc/79/13/23/563791323.db2.gz QCPAOKQWAMDCJS-JTQLQIEISA-N 1 0 388.693 2.628 20 0 GFADRO CO[C@H](C[NH3+])CC(=O)N1CCC(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000365714228 563791661 /nfs/dbraw/zinc/79/16/61/563791661.db2.gz WFZRGCMUFOHGHE-ZDUSSCGKSA-N 1 0 388.295 2.534 20 0 GFADRO COC(=O)c1cc(NC(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)c(C)cc1Br ZINC000415702209 563791914 /nfs/dbraw/zinc/79/19/14/563791914.db2.gz DAFSPNSWCGQMEO-GHMZBOCLSA-N 1 0 384.274 2.793 20 0 GFADRO Cc1cc(I)cc(NC(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000415706114 563792074 /nfs/dbraw/zinc/79/20/74/563792074.db2.gz IIEJRKQHXCDSEL-RYUDHWBXSA-N 1 0 385.249 2.673 20 0 GFADRO Cc1cc(I)cc(NC(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)c1 ZINC000415708359 563792522 /nfs/dbraw/zinc/79/25/22/563792522.db2.gz LGVSFXDIIAFVSS-BETUJISGSA-N 1 0 385.249 2.958 20 0 GFADRO COC(=O)c1cc(NC(=O)N2CCC(C[NH3+])CC2)c(C)cc1Br ZINC000415713473 563792890 /nfs/dbraw/zinc/79/28/90/563792890.db2.gz WVESVUFWMRCBTG-UHFFFAOYSA-N 1 0 384.274 2.747 20 0 GFADRO COc1c(Cl)cc(NC(=O)C(=O)N2CCC[C@]3(CC[NH2+]C3)C2)cc1Cl ZINC000415716242 563793342 /nfs/dbraw/zinc/79/33/42/563793342.db2.gz BDFOEVIDMDXXLE-QGZVFWFLSA-N 1 0 386.279 2.543 20 0 GFADRO CO[C@H]1CCN(C(=O)Nc2cccc(Cl)c2OCC(F)F)[C@H](C[NH3+])C1 ZINC000415751745 563794418 /nfs/dbraw/zinc/79/44/18/563794418.db2.gz WKGBCPMLMQWLOJ-QWRGUYRKSA-N 1 0 377.819 2.954 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)Nc2ccn(-c3ccc(Br)cc3)n2)C1 ZINC000415761770 563795179 /nfs/dbraw/zinc/79/51/79/563795179.db2.gz VDSCVYHKKNATRX-OLZOCXBDSA-N 1 0 392.301 3.226 20 0 GFADRO COc1cc(I)ccc1NC(=O)N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000415774402 563796269 /nfs/dbraw/zinc/79/62/69/563796269.db2.gz PUIDOVGMEVTPAC-GXSJLCMTSA-N 1 0 389.237 2.562 20 0 GFADRO Cc1csc(Sc2ccc(NC(=O)C(=O)N[C@H](C)[C@H](C)[NH3+])c(C)c2)n1 ZINC000415787529 563796387 /nfs/dbraw/zinc/79/63/87/563796387.db2.gz PHESFSOLUNRKHE-NWDGAFQWSA-N 1 0 378.523 2.702 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)C(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000415805870 563797393 /nfs/dbraw/zinc/79/73/93/563797393.db2.gz ODFFWSPVXPFHFT-CQSZACIVSA-N 1 0 382.302 2.598 20 0 GFADRO Cc1nc(NC(=O)N(C)C[C@@H](O)C[NH3+])sc1Cc1cccc(Cl)c1F ZINC000415807047 563797473 /nfs/dbraw/zinc/79/74/73/563797473.db2.gz KRYBAEMQOUWQMV-NSHDSACASA-N 1 0 386.880 2.618 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)NCCC[C@H]2CCC[NH2+]2)cc1Br ZINC000415809519 563797538 /nfs/dbraw/zinc/79/75/38/563797538.db2.gz VGKFSUNDLGIDEF-CYBMUJFWSA-N 1 0 382.302 2.653 20 0 GFADRO [NH3+][C@@H]1CCC[C@H](CNC(=O)C(=O)Nc2ccc(Cl)c(OC(F)F)c2)C1 ZINC000415809747 563797565 /nfs/dbraw/zinc/79/75/65/563797565.db2.gz NGSVQSWXZVZDBK-VHSXEESVSA-N 1 0 375.803 2.514 20 0 GFADRO CN(Cc1c(F)cccc1Cl)C(=O)CN1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000366067522 563798442 /nfs/dbraw/zinc/79/84/42/563798442.db2.gz LYRUXSLWRHSCGH-CQSZACIVSA-N 1 0 385.936 2.561 20 0 GFADRO CC(C)c1cc(Br)ccc1NC(=O)C(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000415837770 563798816 /nfs/dbraw/zinc/79/88/16/563798816.db2.gz CQYDVKLASZEMEX-OLZOCXBDSA-N 1 0 396.329 2.954 20 0 GFADRO C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)C[C@H]1C[NH3+] ZINC000415840800 563798872 /nfs/dbraw/zinc/79/88/72/563798872.db2.gz GMPOTQCVJQSWTP-NXEZZACHSA-N 1 0 377.794 2.741 20 0 GFADRO [NH3+]C[C@@H](NC(=O)C(=O)Nc1ccc(C(F)(F)F)cc1Cl)C1CCCC1 ZINC000415847244 563799489 /nfs/dbraw/zinc/79/94/89/563799489.db2.gz UIHSSTHAWSNAQK-CYBMUJFWSA-N 1 0 377.794 2.931 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000415869596 563799500 /nfs/dbraw/zinc/79/95/00/563799500.db2.gz LBHCNOZWYRFBSA-UMVBOHGHSA-N 1 0 394.313 2.509 20 0 GFADRO C[C@@H]1CCN(C(=O)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)C[C@@H]1C[NH3+] ZINC000415851930 563799526 /nfs/dbraw/zinc/79/95/26/563799526.db2.gz PWHISETWNVXQGJ-ZJUUUORDSA-N 1 0 377.794 2.741 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)c(Br)c1 ZINC000415869982 563799577 /nfs/dbraw/zinc/79/95/77/563799577.db2.gz LISVTCIHWCLLLE-MELADBBJSA-N 1 0 394.313 2.509 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N[C@@H](C[NH3+])C2CCCC2)c(Br)c1 ZINC000415845606 563799627 /nfs/dbraw/zinc/79/96/27/563799627.db2.gz SCLFJQYFCKOQGO-AWEZNQCLSA-N 1 0 382.302 2.638 20 0 GFADRO CCC[N@H+](CC)C[C@@H](C)Nc1cnn(-c2ccccn2)c(=O)c1Br ZINC000293079508 563800155 /nfs/dbraw/zinc/80/01/55/563800155.db2.gz NTAUGLBYVLREDO-CYBMUJFWSA-N 1 0 394.317 2.922 20 0 GFADRO O=C(Nc1ccc2c(c1)C[NH2+]CC2)N[C@@H](CO)c1cccc(Br)c1 ZINC000415905027 563800197 /nfs/dbraw/zinc/80/01/97/563800197.db2.gz ZDFVBDGQUAZDGF-KRWDZBQOSA-N 1 0 390.281 2.950 20 0 GFADRO O=C(/C=C/c1cc(Br)ccc1F)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000366205869 563801506 /nfs/dbraw/zinc/80/15/06/563801506.db2.gz ZDQDIMGINMIVDX-JHBSALDVSA-N 1 0 397.288 2.971 20 0 GFADRO [NH3+]CC[C@@H](NC(=O)N1CCc2c(Br)ccc(F)c2C1)C(F)(F)F ZINC000416024905 563802628 /nfs/dbraw/zinc/80/26/28/563802628.db2.gz GLXRPYWWNVMCNX-GFCCVEGCSA-N 1 0 398.198 2.936 20 0 GFADRO [NH3+]CC[C@H](NC(=O)N1CCO[C@@H](c2ccc(F)cc2Cl)C1)C(F)(F)F ZINC000416027648 563803021 /nfs/dbraw/zinc/80/30/21/563803021.db2.gz JFULDGONCUJCIH-OLZOCXBDSA-N 1 0 383.773 2.842 20 0 GFADRO COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-]c1cccc2c1CN(C)C2 ZINC000366289588 563804249 /nfs/dbraw/zinc/80/42/49/563804249.db2.gz ZFDBIVXLPCFJNG-UHFFFAOYSA-N 1 0 380.853 2.873 20 0 GFADRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)N1CCOc2c(Br)cccc2C1 ZINC000366304596 563804482 /nfs/dbraw/zinc/80/44/82/563804482.db2.gz AKFHSNLJMAPIRI-ZDUSSCGKSA-N 1 0 394.313 2.837 20 0 GFADRO Cn1cc(C[NH2+]CCCS(=O)(=O)c2ccc(Cl)cc2)c(C(F)F)n1 ZINC000293304721 563807437 /nfs/dbraw/zinc/80/74/37/563807437.db2.gz DYSXTHKDWYKVAG-UHFFFAOYSA-N 1 0 377.844 2.965 20 0 GFADRO COc1ccc(Br)cc1C1(C(=O)N2CC[C@H](C[NH+](C)C)C2)CC1 ZINC000416165115 563807992 /nfs/dbraw/zinc/80/79/92/563807992.db2.gz DEDSLZWOJVNUFU-CYBMUJFWSA-N 1 0 381.314 2.899 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2C(=O)Cc1cc(F)ccc1Br ZINC000366441160 563808264 /nfs/dbraw/zinc/80/82/64/563808264.db2.gz XVHQZKDZFORNHX-DJIMGWMZSA-N 1 0 399.304 2.841 20 0 GFADRO CCn1cc(Br)cc1C(=O)N1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000366440233 563808266 /nfs/dbraw/zinc/80/82/66/563808266.db2.gz PNFGGMUVFFAHFM-SQWLQELKSA-N 1 0 384.318 2.594 20 0 GFADRO O=C(c1cc2c(c(Br)c1)OCO2)N1CCC[C@H]2C[NH2+]CCC[C@@H]21 ZINC000366459247 563808837 /nfs/dbraw/zinc/80/88/37/563808837.db2.gz XADWUCXMEOELRY-FZMZJTMJSA-N 1 0 381.270 2.782 20 0 GFADRO Nc1ncc(Cl)cc1S(=O)(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000443695927 563809636 /nfs/dbraw/zinc/80/96/36/563809636.db2.gz FJZREHYTEVOIQV-UHFFFAOYSA-N 1 0 386.949 2.594 20 0 GFADRO C[C@@H]1C[N@@H+](CCCCNC(=O)c2[nH]nc(C3CC3)c2Br)C[C@H](C)O1 ZINC000443670125 563809676 /nfs/dbraw/zinc/80/96/76/563809676.db2.gz CHDSOEAMGMKYIG-TXEJJXNPSA-N 1 0 399.333 2.669 20 0 GFADRO O=C(c1cc(-c2ccc(Br)cc2)n[nH]1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000293392656 563810658 /nfs/dbraw/zinc/81/06/58/563810658.db2.gz MANMDXSFXDZUHJ-JSGCOSHPSA-N 1 0 375.270 2.663 20 0 GFADRO COCCN(CC[NH+](C)C)C(=O)N[C@H](C)c1ccc(Br)s1 ZINC000443754261 563811794 /nfs/dbraw/zinc/81/17/94/563811794.db2.gz XRYQPRQYVFBQIR-LLVKDONJSA-N 1 0 378.336 2.791 20 0 GFADRO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)CCOc1ccc(Cl)cc1Cl ZINC000416288036 563814180 /nfs/dbraw/zinc/81/41/80/563814180.db2.gz CVEOHLCCOLXYCB-CHWSQXEVSA-N 1 0 375.296 2.676 20 0 GFADRO Cc1cc(CCC(=O)N2C[C@@H](C)[N@@H+](CCO)C[C@@H]2C)ccc1Br ZINC000416318661 563816236 /nfs/dbraw/zinc/81/62/36/563816236.db2.gz XZNXPDWRDACBFP-CABCVRRESA-N 1 0 383.330 2.604 20 0 GFADRO O=S(=O)(CCN1CC[C@@H]([C@@H]2CCOC2)C1)c1cccc(Br)c1 ZINC000366658391 563816825 /nfs/dbraw/zinc/81/68/25/563816825.db2.gz SUVFWNSURNDWCN-ZIAGYGMSSA-N 1 0 388.327 2.581 20 0 GFADRO CCc1sc(C(=O)N[C@H](C)CC[NH+]2CCN(C)CC2)cc1Br ZINC000293540771 563818052 /nfs/dbraw/zinc/81/80/52/563818052.db2.gz QGNGKEBGOUECEZ-GFCCVEGCSA-N 1 0 388.375 2.829 20 0 GFADRO COCC[N@@H+]1CC[C@@H](NC(=O)c2cc(Cl)cc(Br)c2F)C1 ZINC000444179232 563823530 /nfs/dbraw/zinc/82/35/30/563823530.db2.gz YUTPPVUFWCSSMW-SNVBAGLBSA-N 1 0 379.657 2.692 20 0 GFADRO Cc1c2cc(Br)ccc2sc1C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000293804515 563823944 /nfs/dbraw/zinc/82/39/44/563823944.db2.gz RGXNODJVSKDJAP-ZDUSSCGKSA-N 1 0 396.354 2.948 20 0 GFADRO CCOC(=O)[C@H](Cc1cc(Cl)cc(Cl)c1)NC(=O)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000444215829 563824694 /nfs/dbraw/zinc/82/46/94/563824694.db2.gz UEOBIUWYWUFFQY-RLFYNMQTSA-N 1 0 385.291 2.583 20 0 GFADRO COC(=O)c1ccc(C[NH2+][C@H]2CCc3nc(C)ncc3C2)c(Br)c1 ZINC000367048638 563829182 /nfs/dbraw/zinc/82/91/82/563829182.db2.gz XDUGMFGPVZVLSZ-HNNXBMFYSA-N 1 0 390.281 2.981 20 0 GFADRO CCn1ncc(C(=O)NC2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)n1 ZINC000294030280 563830184 /nfs/dbraw/zinc/83/01/84/563830184.db2.gz HNOLVYWIXYRBFV-UHFFFAOYSA-N 1 0 382.295 2.999 20 0 GFADRO C[NH+](C)CCn1nccc1NC(=O)CSc1cccc(Br)c1 ZINC000294155795 563832117 /nfs/dbraw/zinc/83/21/17/563832117.db2.gz RTTJEIVCRAYQNJ-UHFFFAOYSA-N 1 0 383.315 2.938 20 0 GFADRO COc1cc(OC)c(S(=O)(=O)NCC[C@H](C)[NH+]2CCCCC2)cc1Cl ZINC000416461230 563832186 /nfs/dbraw/zinc/83/21/86/563832186.db2.gz YUIOZWJSPUGONI-ZDUSSCGKSA-N 1 0 390.933 2.900 20 0 GFADRO C[N@@H+]1CCC[C@]2(CCN(C(=O)c3cc(Br)c4c(c3)OCCO4)C2)C1 ZINC000294200936 563834074 /nfs/dbraw/zinc/83/40/74/563834074.db2.gz PYNLFVWLRQRRQE-SFHVURJKSA-N 1 0 395.297 2.778 20 0 GFADRO Cc1cc(Br)ccc1C[N@H+](C)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000444692053 563834507 /nfs/dbraw/zinc/83/45/07/563834507.db2.gz AUBKJMQQZIEKOR-AWEZNQCLSA-N 1 0 389.359 2.861 20 0 GFADRO CC[C@@H]1CCCC[C@H]1[N@H+](C)CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl ZINC000444666800 563834820 /nfs/dbraw/zinc/83/48/20/563834820.db2.gz SLWDEYWRSHNJIQ-MLGOLLRUSA-N 1 0 387.933 2.827 20 0 GFADRO COC(=O)c1c(Cl)cccc1S(=O)(=O)NC[C@H]1[N@H+](C)CCCC1(C)C ZINC000416478133 563835189 /nfs/dbraw/zinc/83/51/89/563835189.db2.gz YRECSKFIIFHLHM-CQSZACIVSA-N 1 0 388.917 2.525 20 0 GFADRO CCO[C@@H]1C[C@](CO)([NH2+]Cc2ccc(I)cc2)C1(C)C ZINC000444799571 563837785 /nfs/dbraw/zinc/83/77/85/563837785.db2.gz HZKUUYMEVKHKDL-GDBMZVCRSA-N 1 0 389.277 2.947 20 0 GFADRO O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)N1CCOc2ccc(Br)cc2C1 ZINC000367271594 563838339 /nfs/dbraw/zinc/83/83/39/563838339.db2.gz PNRBCEIOPHVDAK-JKSUJKDBSA-N 1 0 394.313 2.980 20 0 GFADRO CCN1CC[C@H]([NH2+]C[C@@H](C)CS(C)(=O)=O)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000367259218 563838745 /nfs/dbraw/zinc/83/87/45/563838745.db2.gz UXEJXUFWVKRUHK-DQYPLSBCSA-N 1 0 376.925 2.885 20 0 GFADRO Cc1c(Br)cccc1S(=O)(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000445068825 563842388 /nfs/dbraw/zinc/84/23/88/563842388.db2.gz YFHOGPUGMIWSGR-UHFFFAOYSA-N 1 0 387.343 2.910 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)Cc1cc[nH]c(=O)c1Br)c1ccsc1 ZINC000445257078 563847106 /nfs/dbraw/zinc/84/71/06/563847106.db2.gz CGOZNHBPNPBPGA-LBPRGKRZSA-N 1 0 384.299 2.573 20 0 GFADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1CN1CCCO[C@@H](C)C1 ZINC000294592175 563847624 /nfs/dbraw/zinc/84/76/24/563847624.db2.gz AAVHQTVAYHPHKJ-QWHCGFSZSA-N 1 0 385.302 2.573 20 0 GFADRO COC(=O)c1csc([C@H](C)[NH2+]C2CCC(N3CCCS3(=O)=O)CC2)c1 ZINC000367555304 563848607 /nfs/dbraw/zinc/84/86/07/563848607.db2.gz VZHAYDHJAGHILX-GRTSSRMGSA-N 1 0 386.539 2.532 20 0 GFADRO C[N@@H+]1CCC[C@@H](CCNS(=O)(=O)c2ccc(F)cc2Br)C1 ZINC000416558037 563848667 /nfs/dbraw/zinc/84/86/67/563848667.db2.gz HZCRTGCPGSUVIL-NSHDSACASA-N 1 0 379.295 2.598 20 0 GFADRO C[N@@H+]1CCC[C@H](CCNS(=O)(=O)c2c(F)cccc2OC(F)(F)F)C1 ZINC000416563755 563849369 /nfs/dbraw/zinc/84/93/69/563849369.db2.gz YTTJPHMKYJOMJF-LLVKDONJSA-N 1 0 384.395 2.735 20 0 GFADRO C[C@H](C[NH2+][C@@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1)CS(C)(=O)=O ZINC000367613702 563850509 /nfs/dbraw/zinc/85/05/09/563850509.db2.gz DFAYFEVLYRSKCP-CZUORRHYSA-N 1 0 379.444 2.677 20 0 GFADRO Cc1ccc(S(=O)(=O)N(C)CC2([NH+](C)C)CCC2)cc1Br ZINC000445727031 563853201 /nfs/dbraw/zinc/85/32/01/563853201.db2.gz VHXGJFKTEPBFFW-UHFFFAOYSA-N 1 0 375.332 2.862 20 0 GFADRO CC[NH+]1CCC(N(C2CC2)S(=O)(=O)c2cccnc2C(F)(F)F)CC1 ZINC000367742484 563853503 /nfs/dbraw/zinc/85/35/03/563853503.db2.gz AHFSYWJXXVYTHG-UHFFFAOYSA-N 1 0 377.432 2.738 20 0 GFADRO C[C@@H](CNC(=O)NCC1([NH+](C)C)CCC1)Oc1ccccc1Br ZINC000445866143 563854987 /nfs/dbraw/zinc/85/49/87/563854987.db2.gz KNUQBSHEPBPJQF-ZDUSSCGKSA-N 1 0 384.318 3.000 20 0 GFADRO O=C1NC(=O)[C@@H]2C[N@H+](Cc3ccc(-c4ccc(Br)cc4)o3)CC[C@H]12 ZINC000367826992 563856840 /nfs/dbraw/zinc/85/68/40/563856840.db2.gz DACXLCPCUHAJAF-LSDHHAIUSA-N 1 0 389.249 2.804 20 0 GFADRO O=S(=O)(N[C@H]1CC12CC[NH2+]CC2)c1cc(Br)ccc1Cl ZINC000367834008 563857167 /nfs/dbraw/zinc/85/71/67/563857167.db2.gz UHLSCCXPGWZZQX-LBPRGKRZSA-N 1 0 379.707 2.523 20 0 GFADRO C[NH+](C)CC1CCN(C(=O)[C@H]2CC(=O)Nc3ccc(Br)cc32)CC1 ZINC000446032289 563857388 /nfs/dbraw/zinc/85/73/88/563857388.db2.gz XEINBMRIRXOVHD-HNNXBMFYSA-N 1 0 394.313 2.675 20 0 GFADRO CN(C(=O)[C@H]1CC(=O)Nc2ccc(Br)cc21)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000446038519 563857462 /nfs/dbraw/zinc/85/74/62/563857462.db2.gz HBEKQZCDYZWKHV-ZFWWWQNUSA-N 1 0 392.297 2.570 20 0 GFADRO COCCC[N@H+](CCO)CC(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000446066933 563858130 /nfs/dbraw/zinc/85/81/30/563858130.db2.gz NDGOSTOKJAUWBE-KRWDZBQOSA-N 1 0 389.323 2.988 20 0 GFADRO Cc1nc(C(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)nn1-c1c(Cl)cccc1Cl ZINC000368011799 563861537 /nfs/dbraw/zinc/86/15/37/563861537.db2.gz JQNKENNXVBGSKW-RYUDHWBXSA-N 1 0 380.279 2.564 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000416825182 563861941 /nfs/dbraw/zinc/86/19/41/563861941.db2.gz IZIAIVSCLSZGCY-SWLSCSKDSA-N 1 0 397.317 2.513 20 0 GFADRO C[C@H](NC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(Cl)cc1 ZINC000416827611 563862053 /nfs/dbraw/zinc/86/20/53/563862053.db2.gz LFFQRIKARFCWOJ-FZMZJTMJSA-N 1 0 378.826 2.536 20 0 GFADRO Ic1cnc(CN2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@H]3C2)s1 ZINC000368019482 563862105 /nfs/dbraw/zinc/86/21/05/563862105.db2.gz SDDYKGHTHFYBIH-GRYCIOLGSA-N 1 0 389.306 2.664 20 0 GFADRO O=C(NCCC[NH2+]Cc1cccnc1)NCCc1ccc(Br)s1 ZINC000416917267 563863028 /nfs/dbraw/zinc/86/30/28/563863028.db2.gz IUGRBMPLHRYGIQ-UHFFFAOYSA-N 1 0 397.342 2.927 20 0 GFADRO O=C(N[C@H]1CCSc2ccc(Cl)cc21)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000416923644 563863041 /nfs/dbraw/zinc/86/30/41/563863041.db2.gz WHOXSCTURZCWDD-HOCLYGCPSA-N 1 0 380.945 2.566 20 0 GFADRO O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)c1nc(C2CC2)ncc1Br ZINC000368123058 563864453 /nfs/dbraw/zinc/86/44/53/563864453.db2.gz KVPSKVAQSUKFPC-LBPRGKRZSA-N 1 0 379.302 2.863 20 0 GFADRO O=C(c1ccc(Cl)c(I)c1)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000368114977 563864474 /nfs/dbraw/zinc/86/44/74/563864474.db2.gz LFCYHLVQKTZEJW-MNOVXSKESA-N 1 0 390.652 2.626 20 0 GFADRO O=S1(=O)CCCN1C1CCC([NH2+]Cc2ccnc(Cl)c2Cl)CC1 ZINC000368228475 563866759 /nfs/dbraw/zinc/86/67/59/563866759.db2.gz WZYMBWPNAQNIAJ-UHFFFAOYSA-N 1 0 378.325 2.825 20 0 GFADRO COc1ccc(Br)c(CNC(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000417135306 563868770 /nfs/dbraw/zinc/86/87/70/563868770.db2.gz GOTDIKWOUJBOOP-PEYYIBSZSA-N 1 0 382.302 2.727 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)NCCc3ccc(F)c(Br)c3)C[C@H]21 ZINC000417172209 563870103 /nfs/dbraw/zinc/87/01/03/563870103.db2.gz FRHDZQCUJAGJPX-XJKCOSOUSA-N 1 0 384.293 2.900 20 0 GFADRO CC[C@@H]1C[N@H+](CC(=O)N2CCc3sccc3[C@H]2c2cccs2)C[C@H]1O ZINC000368426524 563870318 /nfs/dbraw/zinc/87/03/18/563870318.db2.gz WKPCXLGXKAPVCZ-MUKKUYKPSA-N 1 0 376.547 2.986 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)N[C@@H](c2ccc(Br)cc2)C2CCC2)CCO1 ZINC000417181621 563870837 /nfs/dbraw/zinc/87/08/37/563870837.db2.gz IGGJMMSUBITZAS-HZPDHXFCSA-N 1 0 382.302 2.659 20 0 GFADRO C[C@H](CCC[NH3+])NC(=O)NCC1(c2cccc(Br)c2)CCOCC1 ZINC000417179948 563870960 /nfs/dbraw/zinc/87/09/60/563870960.db2.gz OCAUFOPOIYQMNL-CQSZACIVSA-N 1 0 398.345 2.924 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)N[C@H](c2ccc(Br)cc2)C2CCC2)CCO1 ZINC000417181620 563871093 /nfs/dbraw/zinc/87/10/93/563871093.db2.gz IGGJMMSUBITZAS-HOTGVXAUSA-N 1 0 382.302 2.659 20 0 GFADRO C[C@H]1CN(C(=O)NCC2(c3cccc(Br)c3)CCOCC2)CC[NH2+]1 ZINC000417186247 563871412 /nfs/dbraw/zinc/87/14/12/563871412.db2.gz VAIIIRDHLUCKEX-AWEZNQCLSA-N 1 0 396.329 2.501 20 0 GFADRO CS(=O)(=O)c1ccc(CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1C(F)(F)F ZINC000447062708 563873748 /nfs/dbraw/zinc/87/37/48/563873748.db2.gz CUZDLIXNYQKCAI-ZIAGYGMSSA-N 1 0 376.444 2.825 20 0 GFADRO [NH3+]C[C@@H](NC(=O)NCCC(=O)Nc1ccc(Br)cc1)C1CCCC1 ZINC000417221746 563874227 /nfs/dbraw/zinc/87/42/27/563874227.db2.gz JNNNADBWONOLIX-OAHLLOKOSA-N 1 0 397.317 2.594 20 0 GFADRO CCCN(C(=O)NCCC(=O)Nc1ccc(Br)cc1)[C@@H]1CC[NH2+]C1 ZINC000417225186 563874278 /nfs/dbraw/zinc/87/42/78/563874278.db2.gz NKVSQQWVOLAIKK-OAHLLOKOSA-N 1 0 397.317 2.561 20 0 GFADRO COCC[C@@]1([NH2+]Cc2cc(Br)c3c(c2)OCCCO3)CCOC1 ZINC000447088326 563874324 /nfs/dbraw/zinc/87/43/24/563874324.db2.gz SUBFEAMCMWJMDB-QGZVFWFLSA-N 1 0 386.286 2.896 20 0 GFADRO C[NH2+]C[C@H]1CCCN1C(=O)NC[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000417267954 563875625 /nfs/dbraw/zinc/87/56/25/563875625.db2.gz YJHOSEUSSSXOEO-RHSMWYFYSA-N 1 0 395.345 2.669 20 0 GFADRO CC(C)C[C@H](C[NH3+])NC(=O)NC[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000417268013 563875698 /nfs/dbraw/zinc/87/56/98/563875698.db2.gz YPKKIYXSRHRHAS-GOEBONIOSA-N 1 0 397.361 2.948 20 0 GFADRO CC(C)C[C@H](C[NH3+])NC(=O)NC[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000417268012 563875808 /nfs/dbraw/zinc/87/58/08/563875808.db2.gz YPKKIYXSRHRHAS-GDBMZVCRSA-N 1 0 397.361 2.948 20 0 GFADRO C[C@@H](NC(=O)N1C[C@@H](C[NH3+])C2(C1)CCOCC2)c1ccc(Br)cc1 ZINC000417303397 563877788 /nfs/dbraw/zinc/87/77/88/563877788.db2.gz DGVSAVFYMWORFY-UKRRQHHQSA-N 1 0 396.329 2.907 20 0 GFADRO C[C@@H]1CN(C(=O)NCc2cc(Br)ccc2OC(F)F)CC[C@H]1[NH3+] ZINC000417415156 563879741 /nfs/dbraw/zinc/87/97/41/563879741.db2.gz XGJRMEFFCCFVLO-BXKDBHETSA-N 1 0 392.244 2.929 20 0 GFADRO CN1CC[NH+](CCC2CCN(C(=O)c3coc(Br)c3)CC2)CC1 ZINC000368843717 563879995 /nfs/dbraw/zinc/87/99/95/563879995.db2.gz HIFYHNRLRHUFOO-UHFFFAOYSA-N 1 0 384.318 2.532 20 0 GFADRO COc1ccc(CNC(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc1Br ZINC000417425935 563880144 /nfs/dbraw/zinc/88/01/44/563880144.db2.gz FMCATMMVLJDPIS-GUTXKFCHSA-N 1 0 382.302 2.727 20 0 GFADRO CCC([NH3+])(CC)CNC(=O)NCc1cc(OC)c(OC)cc1Br ZINC000417448563 563880606 /nfs/dbraw/zinc/88/06/06/563880606.db2.gz VFVAYLZPTOJPFR-UHFFFAOYSA-N 1 0 388.306 2.783 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)N[C@H](C)CCCC[NH3+] ZINC000417478326 563880753 /nfs/dbraw/zinc/88/07/53/563880753.db2.gz DDZCXXASWQGFAF-CYBMUJFWSA-N 1 0 399.333 2.903 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)NC1(C)CC[NH2+]CC1 ZINC000417493996 563880975 /nfs/dbraw/zinc/88/09/75/563880975.db2.gz WUVAOCZDJAOCQK-UHFFFAOYSA-N 1 0 397.317 2.527 20 0 GFADRO COc1cc(Br)cc(C)c1NC(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000368886093 563880900 /nfs/dbraw/zinc/88/09/00/563880900.db2.gz UYEDFSCTZZHYBD-KBPBESRZSA-N 1 0 398.301 2.751 20 0 GFADRO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1NCc1ccc(S(C)(=O)=O)c(C(F)(F)F)c1 ZINC000447556123 563882724 /nfs/dbraw/zinc/88/27/24/563882724.db2.gz FBSXEROLLYAINV-TYNCELHUSA-N 1 0 378.460 2.927 20 0 GFADRO [NH3+][C@@H](CNC(=O)NC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1)C1CC1 ZINC000417565656 563883214 /nfs/dbraw/zinc/88/32/14/563883214.db2.gz HEDUPFJCCKJCAC-KRWDZBQOSA-N 1 0 385.339 2.994 20 0 GFADRO Cc1c(Br)ccc(C(=O)N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)c1F ZINC000447585286 563883363 /nfs/dbraw/zinc/88/33/63/563883363.db2.gz IOWSZJUHVSDFTR-NSHDSACASA-N 1 0 387.293 2.814 20 0 GFADRO COC(=O)c1cc(Br)cc(NC(=O)NC2CC[NH+](C)CC2)c1C ZINC000417578972 563884451 /nfs/dbraw/zinc/88/44/51/563884451.db2.gz OOOQPZREIFEBGD-UHFFFAOYSA-N 1 0 384.274 2.760 20 0 GFADRO O=C(NCCC[C@@H]1CCC[NH2+]1)N[C@@H]1CCN(c2ccccc2Br)C1 ZINC000417599073 563885513 /nfs/dbraw/zinc/88/55/13/563885513.db2.gz HEGVZHSDGUKBEK-LSDHHAIUSA-N 1 0 395.345 2.859 20 0 GFADRO O=C(NCC1(c2ccccc2Br)CC1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000417725821 563887377 /nfs/dbraw/zinc/88/73/77/563887377.db2.gz GMPDTLFVSYMCNZ-KRWDZBQOSA-N 1 0 378.314 2.876 20 0 GFADRO CC[C@H](CNC(=O)N1CCCO[C@H](C[NH3+])C1)Cc1cccc(Br)c1 ZINC000417718477 563887473 /nfs/dbraw/zinc/88/74/73/563887473.db2.gz HLAHTEYKIKKDLE-WMLDXEAASA-N 1 0 398.345 2.777 20 0 GFADRO C[C@@H](CNC(=O)N1CCC(n2cc(Br)cn2)CC1)C[NH+]1CCCC1 ZINC000369149679 563888106 /nfs/dbraw/zinc/88/81/06/563888106.db2.gz OQNRPQUNIWHZRG-AWEZNQCLSA-N 1 0 398.349 2.724 20 0 GFADRO C[C@H](CNC(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1)Oc1ccc(Br)cc1 ZINC000417772217 563888522 /nfs/dbraw/zinc/88/85/22/563888522.db2.gz HMCSWKCUIUEYQQ-MGPQQGTHSA-N 1 0 384.318 2.843 20 0 GFADRO C[NH+]1CCC2(CCCN(S(=O)(=O)c3ccc(C(F)(F)F)nc3)C2)CC1 ZINC000369173494 563888834 /nfs/dbraw/zinc/88/88/34/563888834.db2.gz IERWUKCZRLFDHJ-UHFFFAOYSA-N 1 0 377.432 2.597 20 0 GFADRO C[C@H](CNC(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1)Oc1cccc(Br)c1 ZINC000417789599 563889127 /nfs/dbraw/zinc/88/91/27/563889127.db2.gz HPODZAFAJIZROT-MJBXVCDLSA-N 1 0 384.318 2.843 20 0 GFADRO C[C@H](CNC(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1)Oc1cccc(Br)c1 ZINC000417785468 563889455 /nfs/dbraw/zinc/88/94/55/563889455.db2.gz CXOKCVBSHPTDLI-HZSPNIEDSA-N 1 0 384.318 2.985 20 0 GFADRO C[C@@H](CNC(=O)NCCC1=CC[NH2+]CC1)Oc1ccccc1Br ZINC000417822817 563889744 /nfs/dbraw/zinc/88/97/44/563889744.db2.gz JVKJSIHOVPFQRZ-ZDUSSCGKSA-N 1 0 382.302 2.825 20 0 GFADRO C[C@@H](CNC(=O)NCC[C@H]1CCC[NH2+]C1)Oc1cccc(Br)c1 ZINC000417804069 563889763 /nfs/dbraw/zinc/88/97/63/563889763.db2.gz YQPMHIRVNDZIBN-UONOGXRCSA-N 1 0 384.318 2.905 20 0 GFADRO [NH3+]CCN(CCO)C(=O)NCC1(c2cccc(Br)c2)CCCCC1 ZINC000417794833 563889844 /nfs/dbraw/zinc/88/98/44/563889844.db2.gz NRZCLKGKZVPWMC-UHFFFAOYSA-N 1 0 398.345 2.614 20 0 GFADRO C[C@H](CNC(=O)N1CCC[C@@H](CC[NH3+])C1)Oc1ccccc1Br ZINC000417825299 563889910 /nfs/dbraw/zinc/88/99/10/563889910.db2.gz MYVWWFSJTMIDMM-KGLIPLIRSA-N 1 0 384.318 2.987 20 0 GFADRO CC[C@H]([NH3+])CNC(=O)N[C@@H](C)c1nc(-c2ccc(Br)cc2)no1 ZINC000417898889 563891005 /nfs/dbraw/zinc/89/10/05/563891005.db2.gz SALZMOJJAWBNHQ-CABZTGNLSA-N 1 0 382.262 2.597 20 0 GFADRO C[N@@H+]1CCCC(C)(C)[C@H]1CNS(=O)(=O)Cc1ccc(Br)cc1 ZINC000447934822 563891104 /nfs/dbraw/zinc/89/11/04/563891104.db2.gz BHGYGZQRJPSEPE-OAHLLOKOSA-N 1 0 389.359 2.989 20 0 GFADRO Cc1nn(C)c(CNCC2([NH+](C)C)Cc3ccccc3C2)c1Br ZINC000447934789 563891348 /nfs/dbraw/zinc/89/13/48/563891348.db2.gz BCDLTGHTIQTSDM-UHFFFAOYSA-N 1 0 377.330 2.680 20 0 GFADRO CC(C)(CNC(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1)c1ccccc1Br ZINC000417915057 563891439 /nfs/dbraw/zinc/89/14/39/563891439.db2.gz TXASJRVZBCYIBV-ZIAGYGMSSA-N 1 0 380.330 2.978 20 0 GFADRO Cc1noc(CCC[NH2+]Cc2ccc(F)cc2I)n1 ZINC000417918908 563891758 /nfs/dbraw/zinc/89/17/58/563891758.db2.gz PMNLGGOTSLOGHJ-UHFFFAOYSA-N 1 0 375.185 2.844 20 0 GFADRO C[C@@H](Cc1cc(Br)ccc1F)NC(=O)N[C@H](CC[NH3+])C(F)F ZINC000417951298 563892143 /nfs/dbraw/zinc/89/21/43/563892143.db2.gz YQQFFANXVZEAGU-QPUJVOFHSA-N 1 0 382.224 2.801 20 0 GFADRO CO[C@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000417973733 563893127 /nfs/dbraw/zinc/89/31/27/563893127.db2.gz CIUSEVXDMNABSY-WWGRRREGSA-N 1 0 384.318 2.824 20 0 GFADRO CC(C)(CCS(C)(=O)=O)[NH2+]Cc1ccc(F)cc1I ZINC000417958241 563893149 /nfs/dbraw/zinc/89/31/49/563893149.db2.gz KLHMWXMNPQUDAP-UHFFFAOYSA-N 1 0 399.269 2.733 20 0 GFADRO Cc1cc(Br)cn2cc(CNC(=O)N3CCC[C@@H](CC[NH3+])C3)nc12 ZINC000417995340 563894383 /nfs/dbraw/zinc/89/43/83/563894383.db2.gz ASKHSPHKXNKVCO-ZDUSSCGKSA-N 1 0 394.317 2.676 20 0 GFADRO C[C@@H]1CN(C(=O)NCCc2c[nH]c3ccc(Br)cc23)[C@@H](C)C[NH2+]1 ZINC000417995018 563894426 /nfs/dbraw/zinc/89/44/26/563894426.db2.gz CUZGJOJOBCOUID-NEPJUHHUSA-N 1 0 379.302 2.865 20 0 GFADRO CO[C@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)NCCC[NH2+]C1CC1 ZINC000418000051 563894657 /nfs/dbraw/zinc/89/46/57/563894657.db2.gz WAAJRSJOIWKAGT-WBMJQRKESA-N 1 0 384.318 2.966 20 0 GFADRO [NH3+][C@@H]1CCN(C(=O)NCCOc2c(Cl)cc(Br)cc2Cl)C1 ZINC000418003927 563894712 /nfs/dbraw/zinc/89/47/12/563894712.db2.gz NLJRALXJZCPVFB-SECBINFHSA-N 1 0 397.100 2.877 20 0 GFADRO O=C(NCCc1c[nH]c2ccc(Br)cc12)NC[C@@H]1CCC[NH2+]C1 ZINC000418007836 563894903 /nfs/dbraw/zinc/89/49/03/563894903.db2.gz RLOJHCWXCKNQRY-GFCCVEGCSA-N 1 0 379.302 2.772 20 0 GFADRO COc1cc(Br)ccc1CCCNC(=O)N1C[C@H](C)[NH2+]C[C@H]1C ZINC000418007915 563894949 /nfs/dbraw/zinc/89/49/49/563894949.db2.gz RVYZPQGRRJKRST-QWHCGFSZSA-N 1 0 384.318 2.782 20 0 GFADRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)NCc1cc(Br)cc2c1OCC2 ZINC000418019520 563895555 /nfs/dbraw/zinc/89/55/55/563895555.db2.gz XMTCKMUOYRUTOO-HNNXBMFYSA-N 1 0 384.318 2.899 20 0 GFADRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)N[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C1 ZINC000418016067 563895744 /nfs/dbraw/zinc/89/57/44/563895744.db2.gz ZPMQWGPPHWXGRR-HFAKWTLXSA-N 1 0 385.295 2.525 20 0 GFADRO O=C(NCc1cc(Br)ccc1Br)N[C@@H]1CCC[NH2+]C1 ZINC000418046606 563896951 /nfs/dbraw/zinc/89/69/51/563896951.db2.gz PHIAUCWCHPHQSZ-LLVKDONJSA-N 1 0 391.107 2.763 20 0 GFADRO CO[C@H]1CCN(C(=O)N[C@@H](C)c2ccc(Br)s2)[C@H](C[NH3+])C1 ZINC000418059338 563896962 /nfs/dbraw/zinc/89/69/62/563896962.db2.gz NJMIGSMUBWQBKN-DCAQKATOSA-N 1 0 376.320 2.719 20 0 GFADRO C[NH2+]C[C@@H](C)CNC(=O)NCc1cc(Br)ccc1Br ZINC000418044130 563897032 /nfs/dbraw/zinc/89/70/32/563897032.db2.gz MAXTWTLWFKLXDE-SECBINFHSA-N 1 0 393.123 2.866 20 0 GFADRO C[C@H](C[NH3+])NC(=O)N[C@@H](Cc1ccccn1)c1ccc(Br)cc1 ZINC000418066494 563897280 /nfs/dbraw/zinc/89/72/80/563897280.db2.gz NPTNEZSYPMXROP-WBMJQRKESA-N 1 0 377.286 2.774 20 0 GFADRO CCn1c(CNC(=O)N[C@H]2CC[C@@H](C[NH3+])C2)nc2cc(Br)ccc21 ZINC000418064637 563897282 /nfs/dbraw/zinc/89/72/82/563897282.db2.gz KBOBQHUCRDXHCV-YPMHNXCESA-N 1 0 394.317 2.745 20 0 GFADRO CCn1c(CNC(=O)N2C[C@H](C)[NH2+]C[C@@H]2C)nc2cc(Br)ccc21 ZINC000418061701 563897495 /nfs/dbraw/zinc/89/74/95/563897495.db2.gz FHZTUOSFQVDUJI-RYUDHWBXSA-N 1 0 394.317 2.711 20 0 GFADRO CC(C)(CCC[NH3+])NC(=O)N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000418081039 563897708 /nfs/dbraw/zinc/89/77/08/563897708.db2.gz NFHAQFPYJJKHHK-ZDUSSCGKSA-N 1 0 387.311 2.915 20 0 GFADRO O=C(N[C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000418079269 563897773 /nfs/dbraw/zinc/89/77/73/563897773.db2.gz KSDMHCYUKUWSSQ-VNHYZAJKSA-N 1 0 383.323 2.823 20 0 GFADRO C[C@H](CC[NH3+])NC(=O)N[C@H](C)CCc1ccc(I)cc1 ZINC000418115587 563899411 /nfs/dbraw/zinc/89/94/11/563899411.db2.gz PKBLECXMDZQNRT-VXGBXAGGSA-N 1 0 389.281 2.649 20 0 GFADRO CC(C)[C@H]([NH3+])CNC(=O)NCc1ccc(I)cc1Cl ZINC000418122870 563899437 /nfs/dbraw/zinc/89/94/37/563899437.db2.gz KOUXXZLHTCIXOT-GFCCVEGCSA-N 1 0 395.672 2.727 20 0 GFADRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)N[C@H]1COc2cc(F)c(Br)cc21 ZINC000418156228 563900289 /nfs/dbraw/zinc/90/02/89/563900289.db2.gz LKUCDBMMTKAZDZ-HERUPUMHSA-N 1 0 386.265 2.838 20 0 GFADRO [NH3+]C[C@@H](NC(=O)N[C@@H]1COc2cc(F)c(Br)cc21)C1CCCC1 ZINC000418163846 563900331 /nfs/dbraw/zinc/90/03/31/563900331.db2.gz RHGZBLCYJNBBTA-ZIAGYGMSSA-N 1 0 386.265 2.838 20 0 GFADRO CC[NH2+][C@H](C)CNC(=O)NCc1ccc(I)c(Cl)c1 ZINC000418160017 563900470 /nfs/dbraw/zinc/90/04/70/563900470.db2.gz OZFRWUXZYJMPEP-SECBINFHSA-N 1 0 395.672 2.742 20 0 GFADRO COCC[C@H](NC(=O)NC[C@H]1C[NH2+]CCCO1)c1ccc(Cl)c(Cl)c1 ZINC000418174360 563900715 /nfs/dbraw/zinc/90/07/15/563900715.db2.gz UIRMADMEJBBBPL-CJNGLKHVSA-N 1 0 390.311 2.749 20 0 GFADRO COCC1(CNC(=O)NCC(F)(F)c2ccc(Cl)cc2)CC[NH2+]CC1 ZINC000418188792 563900846 /nfs/dbraw/zinc/90/08/46/563900846.db2.gz XAHCPBIWZLCJDS-UHFFFAOYSA-N 1 0 375.847 2.747 20 0 GFADRO C[C@@H](CNC(=O)c1ccccc1-n1cc(Br)cn1)[N@H+](C)C1CC1 ZINC000448891710 563902715 /nfs/dbraw/zinc/90/27/15/563902715.db2.gz VOEVEMYEWFTCQZ-LBPRGKRZSA-N 1 0 377.286 2.847 20 0 GFADRO COCCN(CC[NH+](C)C)C(=O)c1cc2c(Br)cccc2cn1 ZINC000448906454 563903003 /nfs/dbraw/zinc/90/30/03/563903003.db2.gz AUUIRCZEVQONPB-UHFFFAOYSA-N 1 0 380.286 2.648 20 0 GFADRO COCC[N@@H+]1CC[C@@H](NC(=O)COc2c(Cl)cc(Cl)cc2Cl)C1 ZINC000448934590 563903413 /nfs/dbraw/zinc/90/34/13/563903413.db2.gz WOMHBGOSZIPYBB-LLVKDONJSA-N 1 0 381.687 2.863 20 0 GFADRO COc1cc(Br)c(C(=O)N(C)[C@H]2CC[N@@H+](C3CC3)C2)cc1OC ZINC000448962114 563904091 /nfs/dbraw/zinc/90/40/91/563904091.db2.gz PALZMHGBYYSFEZ-LBPRGKRZSA-N 1 0 383.286 2.775 20 0 GFADRO CC[N@@H+](Cc1cc(Br)ccc1O[C@@H](C)C(=O)NC)C[C@H]1CCCO1 ZINC000449017455 563905273 /nfs/dbraw/zinc/90/52/73/563905273.db2.gz HJMCIQWQGCEFGK-XJKSGUPXSA-N 1 0 399.329 2.963 20 0 GFADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[N@@H+]1CC[C@@]2(CCOC2)C1 ZINC000449038053 563905897 /nfs/dbraw/zinc/90/58/97/563905897.db2.gz RDSRROXZDJNZPR-FZKQIMNGSA-N 1 0 397.313 2.575 20 0 GFADRO C[C@@H](C[NH2+]Cc1nccn1CC(F)(F)F)c1ccc(S(C)(=O)=O)cc1 ZINC000449115930 563906894 /nfs/dbraw/zinc/90/68/94/563906894.db2.gz JFLJHFPAQXNMBL-LBPRGKRZSA-N 1 0 375.416 2.742 20 0 GFADRO CN(C)[C@]1(C[NH2+]Cc2ccc(I)cc2)CCSC1 ZINC000449180273 563907759 /nfs/dbraw/zinc/90/77/59/563907759.db2.gz ZJHVFGKDCQFGQN-AWEZNQCLSA-N 1 0 376.307 2.818 20 0 GFADRO CN1CCC(CCO)([NH2+]Cc2ccnc3c(Br)cccc23)CC1 ZINC000449242067 564177921 /nfs/dbraw/zinc/17/79/21/564177921.db2.gz DJLKFCBOBUDXJE-UHFFFAOYSA-N 1 0 378.314 2.934 20 0 GFADRO C[C@H](C[C@H](C)[NH3+])NC(=O)C1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000563171432 564178479 /nfs/dbraw/zinc/17/84/79/564178479.db2.gz XEGPPKWNJICRJZ-QWHCGFSZSA-N 1 0 396.329 2.543 20 0 GFADRO Cn1cc(N2CC[C@@H]([NH2+][C@@H]3CCCc4ccc(Br)cc43)C2=O)cn1 ZINC000537971374 564178421 /nfs/dbraw/zinc/17/84/21/564178421.db2.gz LUIPSEJLABVQNM-IAGOWNOFSA-N 1 0 389.297 2.955 20 0 GFADRO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]C1CCC(C(N)=O)CC1 ZINC000537985465 564179168 /nfs/dbraw/zinc/17/91/68/564179168.db2.gz BGSTUIYGWHBCOT-LKSINWNRSA-N 1 0 382.302 2.800 20 0 GFADRO CCN(CCC[NH+](C)C)C(=O)[C@@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000470848861 564179356 /nfs/dbraw/zinc/17/93/56/564179356.db2.gz OXWMWYKDZBVLCF-CQSZACIVSA-N 1 0 396.329 2.602 20 0 GFADRO Brc1cccc2c(C[NH2+]CC3(N4CCOCC4)CC3)ccnc12 ZINC000449288219 564179747 /nfs/dbraw/zinc/17/97/47/564179747.db2.gz YISIGHOIEPTJHH-UHFFFAOYSA-N 1 0 376.298 2.952 20 0 GFADRO COC(=O)COC[C@@H](C)[NH2+]Cc1ccc(I)c(Cl)c1 ZINC000449306481 564179794 /nfs/dbraw/zinc/17/97/94/564179794.db2.gz LPKUWIPHRLWCQP-SECBINFHSA-N 1 0 397.640 2.612 20 0 GFADRO C[C@@H]1C[N@H+](C[C@@H](O)COc2cc(F)cc(Br)c2)C[C@@H](C2CC2)O1 ZINC000470905366 564180027 /nfs/dbraw/zinc/18/00/27/564180027.db2.gz GIWWRPBGIRODIP-JGFGOQIWSA-N 1 0 388.277 2.827 20 0 GFADRO O=C(Nc1cc(Cl)c(Cl)c(Cl)c1)C(=O)N1CC[NH+]2CCC1CC2 ZINC000563251006 564182145 /nfs/dbraw/zinc/18/21/45/564182145.db2.gz WGVOSPYUWPPHAD-UHFFFAOYSA-N 1 0 376.671 2.892 20 0 GFADRO CC(=O)Nc1cccc([C@@H](C)[NH2+]CCn2cc(Br)ccc2=O)c1 ZINC000449373022 564182104 /nfs/dbraw/zinc/18/21/04/564182104.db2.gz BBSNDYTZDLWACD-GFCCVEGCSA-N 1 0 378.270 2.920 20 0 GFADRO COC[C@](C)(O)CC[NH2+]Cc1cn(-c2ccc(Br)cc2)nc1C ZINC000449386627 564183107 /nfs/dbraw/zinc/18/31/07/564183107.db2.gz UQYQIPBXARWDIZ-QGZVFWFLSA-N 1 0 382.302 2.820 20 0 GFADRO OCCC[N@@H+]1CCC[C@@H]1CNCc1nc(-c2cccc(Br)c2)c[nH]1 ZINC000449387715 564183230 /nfs/dbraw/zinc/18/32/30/564183230.db2.gz MWODYGFKRRNTCT-MRXNPFEDSA-N 1 0 393.329 2.776 20 0 GFADRO C[C@@H](C(=O)Nc1ccc(Br)cc1)N(C)Cc1cnc(N(C)C)nc1 ZINC000505486994 564184010 /nfs/dbraw/zinc/18/40/10/564184010.db2.gz GPFGKJPKPTZVAT-LBPRGKRZSA-N 1 0 392.301 2.764 20 0 GFADRO OCCC[N@@H+]1CCC[C@H](NCc2cn(-c3cccc(Cl)c3Cl)nn2)C1 ZINC000449393477 564183991 /nfs/dbraw/zinc/18/39/91/564183991.db2.gz CFEFJABJIYWQKU-ZDUSSCGKSA-N 1 0 384.311 2.511 20 0 GFADRO OCC[N@@H+]1CCCC[C@@H]1CNCc1cn(-c2ccc(Cl)cc2Cl)nn1 ZINC000449397892 564184035 /nfs/dbraw/zinc/18/40/35/564184035.db2.gz WJQDNPTUPXPNNG-OAHLLOKOSA-N 1 0 384.311 2.511 20 0 GFADRO OCC[N@@H+]1CCCC[C@H]1CNCc1cn(-c2cccc(Cl)c2Cl)nn1 ZINC000449397909 564184754 /nfs/dbraw/zinc/18/47/54/564184754.db2.gz WLGODJWIBXRCAQ-AWEZNQCLSA-N 1 0 384.311 2.511 20 0 GFADRO OCCCN1CCC[C@@H]([NH2+]Cc2cnn(-c3ccc(Br)cc3)c2)C1 ZINC000449395981 564185056 /nfs/dbraw/zinc/18/50/56/564185056.db2.gz KMWWHIMGDKMFAZ-QGZVFWFLSA-N 1 0 393.329 2.571 20 0 GFADRO C[C@H](Cc1c(Cl)cccc1Cl)NC(=O)C(=O)N1CCC(CC[NH3+])CC1 ZINC000563302750 564185311 /nfs/dbraw/zinc/18/53/11/564185311.db2.gz IUFUJFLBWPQCAP-GFCCVEGCSA-N 1 0 386.323 2.628 20 0 GFADRO C[NH+](C)CCN(C(=O)[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)C1CC1 ZINC000505655549 564187778 /nfs/dbraw/zinc/18/77/78/564187778.db2.gz JRCIDWZNBYANFX-AWEZNQCLSA-N 1 0 384.307 2.899 20 0 GFADRO CC(C)[C@H]1C[N@H+](C)CCN1CC(=O)N[C@H](C)c1ccc(Br)cc1 ZINC000471190252 564188448 /nfs/dbraw/zinc/18/84/48/564188448.db2.gz GTCFIOLYKOLDBC-RHSMWYFYSA-N 1 0 382.346 2.898 20 0 GFADRO FCC1(C[NH2+]Cc2cn(-c3ccccc3Br)nn2)CCOCC1 ZINC000449488715 564189192 /nfs/dbraw/zinc/18/91/92/564189192.db2.gz KKVBWWSWIMUFFY-UHFFFAOYSA-N 1 0 383.265 2.886 20 0 GFADRO COc1ccc(C[C@H](CO)C[NH2+][C@@H]2CN(C3CC3)C[C@@H]2C)cc1Br ZINC000449598980 564191147 /nfs/dbraw/zinc/19/11/47/564191147.db2.gz JSXGNGAAAXBMMQ-DHSIGJKJSA-N 1 0 397.357 2.681 20 0 GFADRO Cc1nn(C)c(C)c1C[NH2+]C[C@@H](CO)Cc1cc(Br)ccc1F ZINC000449598615 564191166 /nfs/dbraw/zinc/19/11/66/564191166.db2.gz JDOCPIYRRVNQNT-ZDUSSCGKSA-N 1 0 384.293 2.879 20 0 GFADRO C[C@H]1CN(C(=O)c2nn(-c3ccc(F)cc3)cc2Br)[C@@H](C)C[NH2+]1 ZINC000505844370 564191393 /nfs/dbraw/zinc/19/13/93/564191393.db2.gz FQBRKYJFULLGOE-QWRGUYRKSA-N 1 0 381.249 2.596 20 0 GFADRO COCCOc1ccc(Br)cc1NC(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000563474561 564192396 /nfs/dbraw/zinc/19/23/96/564192396.db2.gz RBMYFEJAUYSGHK-QWHCGFSZSA-N 1 0 398.301 2.548 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(Br)cnc1OCC1CC1 ZINC000506012492 564194389 /nfs/dbraw/zinc/19/43/89/564194389.db2.gz NONGLHMAPRPSRX-AWEZNQCLSA-N 1 0 382.302 2.847 20 0 GFADRO Cn1ncc(Cl)c1C[NH2+]C[C@@H](CO)Cc1ccc(F)c(Br)c1 ZINC000449679750 564195457 /nfs/dbraw/zinc/19/54/57/564195457.db2.gz FIOVBOWOTXOLCL-NSHDSACASA-N 1 0 390.684 2.916 20 0 GFADRO CC(C)n1cc(C[NH2+]C[C@@H](CO)Cc2ccc(F)c(Br)c2)nn1 ZINC000449682094 564195975 /nfs/dbraw/zinc/19/59/75/564195975.db2.gz KQLCRCVHHWXOPH-ZDUSSCGKSA-N 1 0 385.281 2.701 20 0 GFADRO Cc1[nH]c(=O)c(C(=O)N2CCc3ccccc3[C@H]2C[NH3+])cc1Br ZINC000563536705 564196720 /nfs/dbraw/zinc/19/67/20/564196720.db2.gz GEICZKFCMNQADH-OAHLLOKOSA-N 1 0 376.254 2.556 20 0 GFADRO CC1(C)C[NH2+]CC[C@H]1NC(=O)c1cc(-c2ccc(Br)cc2)n[nH]1 ZINC000449695517 564196981 /nfs/dbraw/zinc/19/69/81/564196981.db2.gz FHADIEJSTPFAFF-OAHLLOKOSA-N 1 0 377.286 2.957 20 0 GFADRO CN(C)S(=O)(=O)N1CCCC[C@@H]1C[NH2+][C@H]1CCCc2c(Cl)cccc21 ZINC000563567140 564197253 /nfs/dbraw/zinc/19/72/53/564197253.db2.gz ZCBKMRCQIKOUNE-KDOFPFPSSA-N 1 0 385.961 2.968 20 0 GFADRO CC1(C)C[NH2+]CC[C@H]1NC(=O)[C@H]1CCN(c2cc(Cl)ccc2Cl)C1=O ZINC000449697003 564197246 /nfs/dbraw/zinc/19/72/46/564197246.db2.gz JPDLYONQFFJSQJ-IUODEOHRSA-N 1 0 384.307 2.851 20 0 GFADRO O=C1CC[C@H]([NH+]2CCN(Cc3csc(-c4ccsc4)n3)CC2)CCN1 ZINC000449701275 564197766 /nfs/dbraw/zinc/19/77/66/564197766.db2.gz QUDZPQWTPWNSQZ-INIZCTEOSA-N 1 0 376.551 2.658 20 0 GFADRO CCO[C@@H]1COC[C@H]1[NH2+]Cc1cc(Br)c(OC(F)F)c(OC)c1 ZINC000449716788 564197844 /nfs/dbraw/zinc/19/78/44/564197844.db2.gz MBADWCNQTGVLJE-DGCLKSJQSA-N 1 0 396.228 2.953 20 0 GFADRO C[C@]1(C2CC[NH+](Cc3cnc(-c4ccsc4)s3)CC2)NC(=O)NC1=O ZINC000538723691 564197999 /nfs/dbraw/zinc/19/79/99/564197999.db2.gz SURMBXQYUKBSBT-QGZVFWFLSA-N 1 0 376.507 2.682 20 0 GFADRO [NH3+]CC[C@@H](NC(=O)COc1ccc(Br)cc1Cl)C(F)(F)F ZINC000449714032 564198220 /nfs/dbraw/zinc/19/82/20/564198220.db2.gz BEELUWAQWYTAEM-SNVBAGLBSA-N 1 0 389.599 2.877 20 0 GFADRO C[C@H](NC(=O)NC[C@@H]1CCC[NH2+]1)c1nc(-c2ccc(Br)cc2)no1 ZINC000563585788 564198162 /nfs/dbraw/zinc/19/81/62/564198162.db2.gz LYQKKJLEXISBKK-GWCFXTLKSA-N 1 0 394.273 2.611 20 0 GFADRO CCn1c(CNC(=O)NCC2=CC[NH2+]CC2)nc2cc(Br)ccc21 ZINC000563593698 564198339 /nfs/dbraw/zinc/19/83/39/564198339.db2.gz MSIMXZFWNKITGI-UHFFFAOYSA-N 1 0 392.301 2.538 20 0 GFADRO O=C(NC[C@@H]1C[NH2+]CCCO1)N1CCC[C@@H]1c1cccc(Br)c1 ZINC000563609808 564198863 /nfs/dbraw/zinc/19/88/63/564198863.db2.gz SGGBHTCJPHATAS-JKSUJKDBSA-N 1 0 382.302 2.674 20 0 GFADRO C[C@@H](NC(=O)C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2)c1ccc(Cl)cc1Cl ZINC000563611257 564198917 /nfs/dbraw/zinc/19/89/17/564198917.db2.gz SRDSCLRJRWHHRE-XIKOKIGWSA-N 1 0 384.307 2.773 20 0 GFADRO Cc1cc(CC(C)(C)NC(=O)NC[C@H]2C[NH2+]CCCO2)ccc1Br ZINC000563609703 564199103 /nfs/dbraw/zinc/19/91/03/564199103.db2.gz KLYFAMKVGISBFU-OAHLLOKOSA-N 1 0 398.345 2.756 20 0 GFADRO COCC[C@H](Cc1cccc(Br)c1)C(=O)N[C@H]1CC[NH2+]C1(C)C ZINC000449755121 564200816 /nfs/dbraw/zinc/20/08/16/564200816.db2.gz SGGDXCVKDKYHIO-ZBFHGGJFSA-N 1 0 383.330 2.901 20 0 GFADRO C[C@H]1c2cccc(Br)c2CCN1C(=O)NCCOCC[NH+](C)C ZINC000471636545 564200806 /nfs/dbraw/zinc/20/08/06/564200806.db2.gz NPOKMMFPKVBCMM-ZDUSSCGKSA-N 1 0 384.318 2.656 20 0 GFADRO COc1cccc([C@@H](CNC(=O)NCCSCC(F)(F)F)[NH+](C)C)c1 ZINC000538791458 564201393 /nfs/dbraw/zinc/20/13/93/564201393.db2.gz ZDVCKTXDDZBDKF-CQSZACIVSA-N 1 0 379.448 2.893 20 0 GFADRO C[NH+](C)CCOCCNC(=O)NCC1(c2ccc(Br)cc2)CCC1 ZINC000471647925 564201619 /nfs/dbraw/zinc/20/16/19/564201619.db2.gz JQBLTJDZCIYRJS-UHFFFAOYSA-N 1 0 398.345 2.748 20 0 GFADRO Cc1csc(Sc2ccc(NC(=O)NC[C@H]3C[NH2+]CCN3C)cc2)n1 ZINC000563691762 564201959 /nfs/dbraw/zinc/20/19/59/564201959.db2.gz IVWNPNZJLMZBRB-CQSZACIVSA-N 1 0 377.539 2.628 20 0 GFADRO O=S1(=O)CCCN1C1CC[NH+](Cc2ccc(Cl)c3cccnc23)CC1 ZINC000563688874 564202373 /nfs/dbraw/zinc/20/23/73/564202373.db2.gz HRRKPTMBVNXKIQ-UHFFFAOYSA-N 1 0 379.913 2.888 20 0 GFADRO Cc1cc(C)c(C(=O)NC[C@@H](O)C[NH+]2CCC(C)CC2)cc1Br ZINC000449852463 564205502 /nfs/dbraw/zinc/20/55/02/564205502.db2.gz TZMJKMAGALVMSB-OAHLLOKOSA-N 1 0 383.330 2.889 20 0 GFADRO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)CN1CC[N@H+](C)[C@H](C)[C@@H]1C ZINC000538943360 564206268 /nfs/dbraw/zinc/20/62/68/564206268.db2.gz RGCVLAZPPSHDNO-MNOVXSKESA-N 1 0 388.295 2.743 20 0 GFADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)S(=O)(=O)CC1CCC1 ZINC000538940879 564206376 /nfs/dbraw/zinc/20/63/76/564206376.db2.gz SPJYSUWUOADRCU-UHFFFAOYSA-N 1 0 389.359 2.943 20 0 GFADRO CN(CCC[NH3+])C(=O)C(=O)Nc1cc(Cl)ccc1SCC(F)(F)F ZINC000563797159 564207012 /nfs/dbraw/zinc/20/70/12/564207012.db2.gz UTEXBZMPOKMALU-UHFFFAOYSA-N 1 0 383.823 2.740 20 0 GFADRO O=C(CNC(=O)c1ccc(Cl)c(Cl)c1)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000563812208 564207756 /nfs/dbraw/zinc/20/77/56/564207756.db2.gz YJLDTTFNGOGRTJ-KBPBESRZSA-N 1 0 384.307 2.571 20 0 GFADRO CC[N@@H+]1CCCC[C@@H]1CNCc1cn(-c2ccccc2Br)nn1 ZINC000563839906 564208702 /nfs/dbraw/zinc/20/87/02/564208702.db2.gz DWSVAAZBINSIIF-OAHLLOKOSA-N 1 0 378.318 2.994 20 0 GFADRO CC(=O)c1cc(Br)ccc1OCC(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000506691029 564210031 /nfs/dbraw/zinc/21/00/31/564210031.db2.gz VYQBXJRPSBWSFG-HUUCEWRRSA-N 1 0 395.297 2.774 20 0 GFADRO COCCC[N@H+](C)CCNC(=O)c1cc2c(ccc(F)c2Br)[nH]1 ZINC000449945213 564210738 /nfs/dbraw/zinc/21/07/38/564210738.db2.gz NULDTYNDKJMUOW-UHFFFAOYSA-N 1 0 386.265 2.768 20 0 GFADRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1cn2ccc(Br)cc2n1 ZINC000506737053 564210790 /nfs/dbraw/zinc/21/07/90/564210790.db2.gz WHPQFJZORZYVLJ-QWHCGFSZSA-N 1 0 379.302 2.947 20 0 GFADRO COCCC[N@H+](C)CCNC(=O)c1cc(Cl)c(Br)cc1F ZINC000449943859 564211024 /nfs/dbraw/zinc/21/10/24/564211024.db2.gz DBDXRUDHLMVYMZ-UHFFFAOYSA-N 1 0 381.673 2.940 20 0 GFADRO CC[C@H]1C[N@H+](C)CCN1Cc1nc(Cc2cccc(Br)c2)no1 ZINC000563953709 564214480 /nfs/dbraw/zinc/21/44/80/564214480.db2.gz REZYMHUAYYFFDL-HNNXBMFYSA-N 1 0 379.302 2.949 20 0 GFADRO Cc1cc(NC(=O)CC[NH2+]C[C@H](C)Oc2ccc(Br)cc2)no1 ZINC000563952796 564214966 /nfs/dbraw/zinc/21/49/66/564214966.db2.gz TYPVSJHSNKXZIZ-LBPRGKRZSA-N 1 0 382.258 3.131 20 0 GFADRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)C(=O)NCc1c(Cl)cccc1Cl ZINC000563979106 564215348 /nfs/dbraw/zinc/21/53/48/564215348.db2.gz AELNDUDZZDNYRO-BETUJISGSA-N 1 0 386.323 2.989 20 0 GFADRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)c2[nH]nc(C3CC3)c2Br)C1 ZINC000472177170 564215411 /nfs/dbraw/zinc/21/54/11/564215411.db2.gz WARSFGOREINZLZ-CYBMUJFWSA-N 1 0 399.333 2.623 20 0 GFADRO Cc1cc(C)c(C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)cc1Br ZINC000450059964 564215488 /nfs/dbraw/zinc/21/54/88/564215488.db2.gz VHNGVVWPRBGTCM-HNNXBMFYSA-N 1 0 381.314 2.860 20 0 GFADRO CC(C)[N@H+](C)CCNS(=O)(=O)c1cc(Cl)c(Br)cc1F ZINC000472213397 564216485 /nfs/dbraw/zinc/21/64/85/564216485.db2.gz ZCCWNVNBYCVSFZ-UHFFFAOYSA-N 1 0 387.702 2.860 20 0 GFADRO CC(C)O[C@H]1C[C@@H]([NH2+]CCS(=O)(=O)c2cccc(Br)c2)C1 ZINC000564077232 564219544 /nfs/dbraw/zinc/21/95/44/564219544.db2.gz KSEVERNGKQEFRQ-OKILXGFUSA-N 1 0 376.316 2.768 20 0 GFADRO C[N@H+]1CC=C(CNC(=O)[C@@H]2CC(=O)N(c3cc(Cl)cc(Cl)c3)C2)CC1 ZINC000539441112 564219869 /nfs/dbraw/zinc/21/98/69/564219869.db2.gz XOSDMDRYMSFBDG-CYBMUJFWSA-N 1 0 382.291 2.724 20 0 GFADRO CS[C@@H]1CN([C@@H](C)C(=O)N(C)Cc2c(F)cccc2Cl)C[C@@H]1[NH+](C)C ZINC000539483804 564221042 /nfs/dbraw/zinc/22/10/42/564221042.db2.gz QISIXSUCRYHASA-AFAVFJNCSA-N 1 0 387.952 2.803 20 0 GFADRO CS[C@@H]1CN(C[C@H](O)COc2cc(Cl)ccc2Cl)C[C@H]1[NH+](C)C ZINC000539494075 564221298 /nfs/dbraw/zinc/22/12/98/564221298.db2.gz XQIWTQOOEZLPNA-JGGQBBKZSA-N 1 0 379.353 2.711 20 0 GFADRO CCN1CCN(C(=O)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)[C@H](C)C1 ZINC000507404143 564227593 /nfs/dbraw/zinc/22/75/93/564227593.db2.gz OOMZNJOJIQNGBS-SNVBAGLBSA-N 1 0 377.794 2.850 20 0 GFADRO C[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl ZINC000472587780 564228076 /nfs/dbraw/zinc/22/80/76/564228076.db2.gz ZVQLQAIQQQHHFH-BFQNTYOBSA-N 1 0 385.917 2.579 20 0 GFADRO CCN1CCN(C(=O)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)[C@@H](C)C1 ZINC000507404139 564228274 /nfs/dbraw/zinc/22/82/74/564228274.db2.gz OOMZNJOJIQNGBS-JTQLQIEISA-N 1 0 377.794 2.850 20 0 GFADRO CC[C@@H](CO)[NH+]1CCN(c2ncc(Br)cc2C(F)(F)F)CC1 ZINC000450359755 564228660 /nfs/dbraw/zinc/22/86/60/564228660.db2.gz IHSINCFAHHVGTR-NSHDSACASA-N 1 0 382.224 2.756 20 0 GFADRO CC(C)C[N@H+](CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl)C1CCCC1 ZINC000472800438 564233422 /nfs/dbraw/zinc/23/34/22/564233422.db2.gz XKGIJBPRZCQJDL-UHFFFAOYSA-N 1 0 387.933 2.827 20 0 GFADRO Cc1ccc(Br)cc1C[N@@H+]1CCC[C@H](c2cc(C(N)=O)[nH]n2)C1 ZINC000450461846 564234041 /nfs/dbraw/zinc/23/40/41/564234041.db2.gz XHVJJWFVCRNDCW-LBPRGKRZSA-N 1 0 377.286 2.959 20 0 GFADRO C[NH+](C)Cc1cccc(C(=O)N[C@@H](CO)c2ccc(Br)cc2)c1 ZINC000539981062 564234380 /nfs/dbraw/zinc/23/43/80/564234380.db2.gz CVPPCGCQBVYIFA-KRWDZBQOSA-N 1 0 377.282 2.974 20 0 GFADRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)C(=O)Nc1ccc(Br)cc1F ZINC000507662136 564237705 /nfs/dbraw/zinc/23/77/05/564237705.db2.gz VXWLIUMWUVYANN-AAEUAGOBSA-N 1 0 398.276 2.612 20 0 GFADRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)c2cc3cccc(Cl)c3s2)C1 ZINC000564571804 564239726 /nfs/dbraw/zinc/23/97/26/564239726.db2.gz IWDPRHKCGRKIDQ-CYBMUJFWSA-N 1 0 379.913 2.872 20 0 GFADRO CCOc1ccccc1Nc1nnc(SC[C@@H](O)C[N@H+](C)C2CC2)s1 ZINC000564561964 564239852 /nfs/dbraw/zinc/23/98/52/564239852.db2.gz PBEUVJZXOQSVNP-ZDUSSCGKSA-N 1 0 380.539 3.228 20 0 GFADRO OCCC[N@@H+]1CCC[C@H]1CNc1ccc(-c2ccc(Br)s2)nn1 ZINC000450600917 564240337 /nfs/dbraw/zinc/24/03/37/564240337.db2.gz XCCIOUCNDXBFDN-LBPRGKRZSA-N 1 0 397.342 3.226 20 0 GFADRO CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2ccc(C)s2)c1 ZINC000540175632 564241273 /nfs/dbraw/zinc/24/12/73/564241273.db2.gz TXDZRGGCAQLCME-OLZOCXBDSA-N 1 0 381.523 2.642 20 0 GFADRO CC[C@@H]1C[C@H](C[NH+]2CCN(c3ncc(Br)c(OC)n3)CC2)CCO1 ZINC000507770280 564242712 /nfs/dbraw/zinc/24/27/12/564242712.db2.gz CZUKWHGGECRHMA-ZIAGYGMSSA-N 1 0 399.333 2.575 20 0 GFADRO CC(C)Oc1cc(Br)ccc1C(=O)NC[C@](C)(O)CC[NH+](C)C ZINC000473258565 564242902 /nfs/dbraw/zinc/24/29/02/564242902.db2.gz BAMABUDWGAXSBZ-QGZVFWFLSA-N 1 0 387.318 2.669 20 0 GFADRO O=C(N[C@@H]1C[NH2+]CCC1(F)F)c1ccn(-c2ccc(Cl)cc2Cl)n1 ZINC000564654889 564243515 /nfs/dbraw/zinc/24/35/15/564243515.db2.gz AFWMYWPBVCVLPY-CYBMUJFWSA-N 1 0 375.206 2.906 20 0 GFADRO O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cc[nH]c(=O)c1Br ZINC000473293161 564243879 /nfs/dbraw/zinc/24/38/79/564243879.db2.gz JXBXKFRAHCRGQE-CQSZACIVSA-N 1 0 390.281 2.802 20 0 GFADRO CS(=O)(=O)c1cccc(Cl)c1C[NH2+][C@@H]1CCC[C@H](N2CCCC2=O)C1 ZINC000564665547 564244439 /nfs/dbraw/zinc/24/44/39/564244439.db2.gz BOUHXYXOMNHURE-KGLIPLIRSA-N 1 0 384.929 2.767 20 0 GFADRO CS(=O)(=O)c1cccc(Cl)c1C[NH2+][C@H]1CCC[C@@H](N2CCCC2=O)C1 ZINC000564665550 564244518 /nfs/dbraw/zinc/24/45/18/564244518.db2.gz BOUHXYXOMNHURE-UONOGXRCSA-N 1 0 384.929 2.767 20 0 GFADRO C[C@H](CC[NH+](C)C)NC(=O)N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000473430352 564247089 /nfs/dbraw/zinc/24/70/89/564247089.db2.gz QHFRNGUBRMYINO-RISCZKNCSA-N 1 0 387.311 2.738 20 0 GFADRO Cc1cc(Br)c(F)cc1NC(=O)C(=O)NCC[N@H+]1CC=C(C)CC1 ZINC000473406384 564247309 /nfs/dbraw/zinc/24/73/09/564247309.db2.gz CFMNFFFYBHCKTG-UHFFFAOYSA-N 1 0 398.276 2.603 20 0 GFADRO CC(=O)N1CCC[N@H+](C[C@@H]2CCCN(c3ncccc3Br)C2)CC1 ZINC000450780553 564247590 /nfs/dbraw/zinc/24/75/90/564247590.db2.gz YAHUYBIAEZNGDA-INIZCTEOSA-N 1 0 395.345 2.615 20 0 GFADRO CC[NH+](CC)[C@H](C)CNC(=O)C[C@@H](NC(C)=O)c1ccc(Br)cc1 ZINC000473538316 564249183 /nfs/dbraw/zinc/24/91/83/564249183.db2.gz AFDUQXAHBDUJNM-CXAGYDPISA-N 1 0 398.345 2.863 20 0 GFADRO O=C(COC1CC[NH2+]CC1)NCC1(c2cccc(Br)c2)CCC1 ZINC000564825909 564250585 /nfs/dbraw/zinc/25/05/85/564250585.db2.gz QGTKDSGLHPQPOB-UHFFFAOYSA-N 1 0 381.314 2.756 20 0 GFADRO CS[C@@H]1CN(C(=O)c2cc(C)n(-c3ccccc3Cl)n2)C[C@@H]1[NH+](C)C ZINC000540688041 564254865 /nfs/dbraw/zinc/25/48/65/564254865.db2.gz NIJZEOBWBUAAFG-DLBZAZTESA-N 1 0 378.929 2.952 20 0 GFADRO Cc1ccc(Br)cc1C[N@H+]1C[C@@H](C)[C@H](C(=O)N2CCOCC2)C1 ZINC000450960957 564257249 /nfs/dbraw/zinc/25/72/49/564257249.db2.gz PXNLGNNIZHAKIA-RHSMWYFYSA-N 1 0 381.314 2.684 20 0 GFADRO CN1CC[NH+](CCC(C)(C)NC(=O)Cc2sccc2Br)CC1 ZINC000450957497 564257532 /nfs/dbraw/zinc/25/75/32/564257532.db2.gz KOZHADLGZBMHQG-UHFFFAOYSA-N 1 0 388.375 2.585 20 0 GFADRO C[C@@H]1CC[N@H+](CCNS(=O)(=O)Cc2ccc(Cl)cc2Br)C1 ZINC000540902239 564259217 /nfs/dbraw/zinc/25/92/17/564259217.db2.gz IONGZJJQSSFAQR-LLVKDONJSA-N 1 0 395.750 2.864 20 0 GFADRO C[NH2+]C[C@@H]1CCN(S(=O)(=O)c2ccc3ccccc3c2Br)C1 ZINC000564958029 564260138 /nfs/dbraw/zinc/26/01/38/564260138.db2.gz KBBDZUKBRKBQNO-LBPRGKRZSA-N 1 0 383.311 2.832 20 0 GFADRO CC1(C)CCC[NH2+][C@@H]1CNS(=O)(=O)Cc1cccc(Br)c1 ZINC000564970015 564261362 /nfs/dbraw/zinc/26/13/62/564261362.db2.gz AHOMLVXIALOBQA-CQSZACIVSA-N 1 0 375.332 2.647 20 0 GFADRO Cc1ccc(CC(=O)N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)c(Br)c1 ZINC000450991035 564261403 /nfs/dbraw/zinc/26/14/03/564261403.db2.gz VVSKQXOSLIDNQS-AWEZNQCLSA-N 1 0 383.330 2.604 20 0 GFADRO Cc1c(Br)cccc1S(=O)(=O)NCCC1CC[NH+](C)CC1 ZINC000474084307 564264222 /nfs/dbraw/zinc/26/42/22/564264222.db2.gz QPRMQCRMLZRPKP-UHFFFAOYSA-N 1 0 375.332 2.768 20 0 GFADRO C[C@H]1C[C@H](NC(=O)CNC(=O)c2sc3ccccc3c2Cl)CC[N@@H+]1C ZINC000474109029 564265384 /nfs/dbraw/zinc/26/53/84/564265384.db2.gz WTLXJPSYCBQTOY-NWDGAFQWSA-N 1 0 379.913 2.883 20 0 GFADRO C[C@](CO)([NH2+]C[C@@H](O)COc1c(Cl)cccc1Cl)c1cccc(O)c1 ZINC000451039222 564265976 /nfs/dbraw/zinc/26/59/76/564265976.db2.gz OXGGEZZKQBEGDJ-RDTXWAMCSA-N 1 0 386.275 2.936 20 0 GFADRO C[C@H]1CCC[N@H+](CCNC(=O)c2cc(I)ccc2F)C1 ZINC000474152824 564267411 /nfs/dbraw/zinc/26/74/11/564267411.db2.gz ISIRKUNHZKLLET-NSHDSACASA-N 1 0 390.240 2.892 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1CCNS(=O)(=O)Cc1ccc(Br)c(F)c1 ZINC000451054641 564267786 /nfs/dbraw/zinc/26/77/86/564267786.db2.gz JEJXFGCKDIHSOW-GFCCVEGCSA-N 1 0 393.322 2.882 20 0 GFADRO Cn1cc(Br)cc1-c1nnc(N2CCC[C@@H]([NH+]3CCCC3)C2)n1C ZINC000508752057 564271374 /nfs/dbraw/zinc/27/13/74/564271374.db2.gz DZKVVLBLKWSRML-CQSZACIVSA-N 1 0 393.333 2.648 20 0 GFADRO C[C@H](CNS(=O)(=O)c1ccc(OCC(F)F)cc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000541326377 564275228 /nfs/dbraw/zinc/27/52/28/564275228.db2.gz CYHDKAGSGAOIJO-ZIAGYGMSSA-N 1 0 376.469 2.729 20 0 GFADRO Cc1cc(Br)cc(C)c1N1CCC[C@H]([N@@H+]2C[C@@H](C)[C@@H](O)C2)C1=O ZINC000509022097 564278661 /nfs/dbraw/zinc/27/86/61/564278661.db2.gz JYXSDZGBPSKRAA-KBMXLJTQSA-N 1 0 381.314 2.874 20 0 GFADRO C[NH+](C)CCN(Cc1cccc(F)c1)S(=O)(=O)C[C@H]1CCCC1(F)F ZINC000451130279 564278898 /nfs/dbraw/zinc/27/88/98/564278898.db2.gz LYKGOPZDWMJECX-OAHLLOKOSA-N 1 0 378.460 2.955 20 0 GFADRO CC[NH+]1CCN(CC(=O)N2CCC[C@H]2c2ccc(Br)s2)CC1 ZINC000541486520 564280686 /nfs/dbraw/zinc/28/06/86/564280686.db2.gz IFBXJGOTMNDADR-ZDUSSCGKSA-N 1 0 386.359 2.812 20 0 GFADRO C[NH+](C)CCN(Cc1ccccn1)S(=O)(=O)C[C@@H]1CCCCC1(F)F ZINC000451175106 564283217 /nfs/dbraw/zinc/28/32/17/564283217.db2.gz HRTWSZQNJZLKED-HNNXBMFYSA-N 1 0 375.485 2.601 20 0 GFADRO CN(C)C(=O)CCC[NH2+]Cc1c(F)ccc(I)c1F ZINC000474626199 564283579 /nfs/dbraw/zinc/28/35/79/564283579.db2.gz IKDSELRRRYQYQM-UHFFFAOYSA-N 1 0 382.192 2.527 20 0 GFADRO Cc1ncsc1CCS(=O)(=O)NC[C@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000451178694 564283740 /nfs/dbraw/zinc/28/37/40/564283740.db2.gz ANWYPJCOSBELFM-QGZVFWFLSA-N 1 0 385.599 2.958 20 0 GFADRO CN(C)C(=O)CC[N@@H+]1CC[C@H](Cc2cccc(I)c2)C1 ZINC000451185576 564284126 /nfs/dbraw/zinc/28/41/26/564284126.db2.gz CWLCIRITRPHJBQ-CQSZACIVSA-N 1 0 386.277 2.634 20 0 GFADRO C[C@H]([NH2+]C[C@H]1CCCCS1(=O)=O)c1ccc(I)cc1 ZINC000541570907 564284521 /nfs/dbraw/zinc/28/45/21/564284521.db2.gz KHEUKKFHIQANBI-SMDDNHRTSA-N 1 0 393.290 2.909 20 0 GFADRO CSC1(CNC(=O)Nc2cc(C(F)(F)F)c[nH]c2=O)CC[NH+](C)CC1 ZINC000565568884 564286512 /nfs/dbraw/zinc/28/65/12/564286512.db2.gz NAASDIPGBKSAPG-UHFFFAOYSA-N 1 0 378.420 2.755 20 0 GFADRO CO[C@](C)([C@@H](C)[NH2+]Cc1cc(=O)n2cc(Br)ccc2n1)C1CC1 ZINC000565585142 564287264 /nfs/dbraw/zinc/28/72/64/564287264.db2.gz MKAGMMCUKSNMHG-PIGZYNQJSA-N 1 0 380.286 2.750 20 0 GFADRO COCC[N@@H+]1CC[C@@H](NC(=O)N2CCc3c(Br)cccc3[C@H]2C)C1 ZINC000509199522 564287227 /nfs/dbraw/zinc/28/72/27/564287227.db2.gz XWLHUNJNDJMCOM-ZIAGYGMSSA-N 1 0 396.329 2.799 20 0 GFADRO O=C(NCC[N@H+]1CC=CCC1)N[C@@H]1CCOc2c(Br)cccc21 ZINC000565610753 564288203 /nfs/dbraw/zinc/28/82/03/564288203.db2.gz QLGLMBZVNBVDDJ-OAHLLOKOSA-N 1 0 380.286 2.834 20 0 GFADRO CCS(=O)(=O)N1CCC(C[NH2+]Cc2ccc(Br)cc2C)CC1 ZINC000541779099 564288722 /nfs/dbraw/zinc/28/87/22/564288722.db2.gz MFFVEVHTXPMAPM-UHFFFAOYSA-N 1 0 389.359 2.909 20 0 GFADRO CN(C)C(=O)CC[NH+]1CCN(c2ccc3cccc(Br)c3n2)CC1 ZINC000474772247 564289157 /nfs/dbraw/zinc/28/91/57/564289157.db2.gz CGGVRSDMGYEZSW-UHFFFAOYSA-N 1 0 391.313 2.598 20 0 GFADRO C[C@H](CCc1ccc(I)cc1)[NH2+][C@@H]1CCCN(C)C1=O ZINC000474800655 564289621 /nfs/dbraw/zinc/28/96/21/564289621.db2.gz URURDZFQDVQULY-IUODEOHRSA-N 1 0 386.277 2.823 20 0 GFADRO C[C@H](C(=O)Nc1ccc(I)cc1)[N@H+](C)CC(C)(C)CO ZINC000451245370 564290815 /nfs/dbraw/zinc/29/08/15/564290815.db2.gz IAPVAKJYXLCNFC-LLVKDONJSA-N 1 0 390.265 2.569 20 0 GFADRO CSc1nc(C(=O)N2C[C@@H](SC)[C@H]([NH+]3CCCC3)C2)c2ccccn21 ZINC000541842756 564291745 /nfs/dbraw/zinc/29/17/45/564291745.db2.gz KSHCBDBLGJPCON-HUUCEWRRSA-N 1 0 376.551 2.708 20 0 GFADRO C[C@H]1c2ccsc2CCN1C(=O)C(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000565706246 564292124 /nfs/dbraw/zinc/29/21/24/564292124.db2.gz PHCYZRLAAIEHGZ-GXTWGEPZSA-N 1 0 377.535 2.674 20 0 GFADRO COC(=O)C[C@@H]1CC[C@H]([NH2+]CC(=O)Nc2cccc(Br)c2)[C@H]1C ZINC000474944490 564294674 /nfs/dbraw/zinc/29/46/74/564294674.db2.gz PKYSOAFHSJATJX-HUBLWGQQSA-N 1 0 383.286 2.955 20 0 GFADRO CC[N@@H+]1CC[C@H](CNC(=O)c2cc(I)c(C)cc2C)C1 ZINC000475021303 564297594 /nfs/dbraw/zinc/29/75/94/564297594.db2.gz AMETZWIDGMPWSJ-CYBMUJFWSA-N 1 0 386.277 2.980 20 0 GFADRO C[NH+](C)CCN(Cc1cccs1)S(=O)(=O)CCOCc1ccccc1 ZINC000451300563 564297720 /nfs/dbraw/zinc/29/77/20/564297720.db2.gz IEBSEPTVZQWAFS-UHFFFAOYSA-N 1 0 382.551 2.658 20 0 GFADRO C[N@@H+]1CC[C@H]2CCN(Cc3ccc(Br)cc3N3CCOCC3)[C@H]2C1 ZINC000475103807 564300521 /nfs/dbraw/zinc/30/05/21/564300521.db2.gz NKLSKJHYLRRKOE-KXBFYZLASA-N 1 0 394.357 2.812 20 0 GFADRO O=C(NC1CC[NH+](C2CC2)CC1)c1ccccc1-n1cc(Br)cn1 ZINC000565931548 564302417 /nfs/dbraw/zinc/30/24/17/564302417.db2.gz QVPVOZGAMVLRFH-UHFFFAOYSA-N 1 0 389.297 2.991 20 0 GFADRO C[C@H](NC(=O)N1CCC(OCC[NH+](C)C)CC1)c1ccc(Br)cn1 ZINC000475248767 564304138 /nfs/dbraw/zinc/30/41/38/564304138.db2.gz SYGKDWSYDSLPRD-ZDUSSCGKSA-N 1 0 399.333 2.657 20 0 GFADRO [NH3+]C[C@@H]1CCCN(C(=O)C(=O)N(Cc2cccs2)Cc2cccs2)C1 ZINC000566090267 564308437 /nfs/dbraw/zinc/30/84/37/564308437.db2.gz YAOQCAHPCBWLIT-AWEZNQCLSA-N 1 0 377.535 2.536 20 0 GFADRO CN(CCOc1ccc(Br)cc1)C(=O)COc1ccccc1C[NH3+] ZINC000566103632 564309718 /nfs/dbraw/zinc/30/97/18/564309718.db2.gz CVUQRBQKARLAOL-UHFFFAOYSA-N 1 0 393.281 2.824 20 0 GFADRO O[C@H](COc1ccc(Br)cc1)C[N@@H+]1CCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000451410431 564310621 /nfs/dbraw/zinc/31/06/21/564310621.db2.gz SMZUSPPBNZUNNF-DZOHQFGASA-N 1 0 384.314 2.814 20 0 GFADRO C[C@@H]1CN(C[C@H](O)C[NH2+]C/C=C/c2ccc(Br)cc2)C[C@H](C)O1 ZINC000566122545 564310695 /nfs/dbraw/zinc/31/06/95/564310695.db2.gz NLHUPIXHBSCHEL-JHALLHGUSA-N 1 0 383.330 2.522 20 0 GFADRO O=C1[C@H]([NH2+]C[C@H](O)Cc2ccccc2)CCN1c1cccc(Br)c1 ZINC000566124386 564311615 /nfs/dbraw/zinc/31/16/15/564311615.db2.gz JUJNHPIONVFOPS-QZTJIDSGSA-N 1 0 389.293 2.748 20 0 GFADRO CC(C)(O)C[NH+]1CCN(c2cc(C(F)(F)F)c(Br)cn2)CC1 ZINC000566148798 564312720 /nfs/dbraw/zinc/31/27/20/564312720.db2.gz BHWKCFVQSWZJRH-UHFFFAOYSA-N 1 0 382.224 2.756 20 0 GFADRO CC[NH+]1CCC(N2CCCN(S(=O)(=O)c3ccccc3Cl)CC2)CC1 ZINC000566164639 564313809 /nfs/dbraw/zinc/31/38/09/564313809.db2.gz GJFVGPNUKKNCKI-UHFFFAOYSA-N 1 0 385.961 2.521 20 0 GFADRO O=C(N1CC[C@@H](N2CC[NH2+]CC2)C1)C1(c2ccc(Cl)c(Cl)c2)CCC1 ZINC000566188663 564315373 /nfs/dbraw/zinc/31/53/73/564315373.db2.gz AGEAFWJLAFTZMT-OAHLLOKOSA-N 1 0 382.335 2.921 20 0 GFADRO CC(C)(C)[C@@H]1CC[N@H+](C[C@H](O)COc2ccc(Br)cc2)C[C@H]1O ZINC000542554154 564317984 /nfs/dbraw/zinc/31/79/84/564317984.db2.gz UQCSHLCRYJHNFZ-USXIJHARSA-N 1 0 386.330 2.918 20 0 GFADRO Cc1nc(-c2ccccc2Br)sc1[C@@H](C)[NH2+]CC(=O)NC(N)=O ZINC000542568046 564318269 /nfs/dbraw/zinc/31/82/69/564318269.db2.gz IJBVBNULYCETRZ-MRVPVSSYSA-N 1 0 397.298 2.727 20 0 GFADRO Cc1ccc(C[C@@H](CO)C[NH2+]C[C@@H](O)CC(F)(F)F)cc1Br ZINC000566232232 564318223 /nfs/dbraw/zinc/31/82/23/564318223.db2.gz ZTSYTVDCLWQFEK-OLZOCXBDSA-N 1 0 384.236 2.811 20 0 GFADRO Cc1cc(Br)ccc1S(=O)(=O)N(C)CCC[NH+]1CCCC1 ZINC000542692252 564321768 /nfs/dbraw/zinc/32/17/68/564321768.db2.gz ARUVTEXKKAQGMW-UHFFFAOYSA-N 1 0 375.332 2.864 20 0 GFADRO C[C@H](c1ccccc1Br)N(C)C(=O)C(=O)N1CCC(CC[NH3+])CC1 ZINC000566378551 564325586 /nfs/dbraw/zinc/32/55/86/564325586.db2.gz BMZUVKTUPGWVPP-CYBMUJFWSA-N 1 0 396.329 2.556 20 0 GFADRO [NH3+]CC12CCC(CC1)CN2S(=O)(=O)c1ccc(OC(F)F)c(Cl)c1 ZINC000566480298 564328949 /nfs/dbraw/zinc/32/89/49/564328949.db2.gz MJVJIBRMMNMVNN-UHFFFAOYSA-N 1 0 380.844 2.833 20 0 GFADRO CC(C)[C@H](CO)[C@@H]([NH2+]Cc1nnnn1-c1ccccc1Br)C(C)C ZINC000451613993 564331120 /nfs/dbraw/zinc/33/11/20/564331120.db2.gz ODGCEVXITKLRSR-GUYCJALGSA-N 1 0 396.333 2.804 20 0 GFADRO CO[C@H]1C[C@@H](CN(C)C(=O)c2cc3c(ccc(F)c3Br)[nH]2)[N@H+](C)C1 ZINC000451608492 564331238 /nfs/dbraw/zinc/33/12/38/564331238.db2.gz SKLXUYVSUQIMOZ-QWRGUYRKSA-N 1 0 398.276 2.861 20 0 GFADRO O=C1[C@H]([NH2+][C@@H]([C@H](CO)C2CC2)C2CC2)CCN1c1cccc(Br)c1 ZINC000451614005 564332051 /nfs/dbraw/zinc/33/20/51/564332051.db2.gz OEDGBYGMXRJNKZ-KZNAEPCWSA-N 1 0 393.325 2.941 20 0 GFADRO CC[C@@H](C)[NH2+][C@@H](CNS(=O)(=O)c1csc(C(=O)OC)c1)c1ccco1 ZINC000510392936 564332099 /nfs/dbraw/zinc/33/20/99/564332099.db2.gz FUVBRPVQFYXVLV-YPMHNXCESA-N 1 0 386.495 2.535 20 0 GFADRO COc1cc(Br)ccc1CCC(=O)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000542953414 564333394 /nfs/dbraw/zinc/33/33/94/564333394.db2.gz RCWHTTFFUARWPN-WBMJQRKESA-N 1 0 381.314 2.989 20 0 GFADRO Cc1c(Br)scc1C(=O)NC(C)(C)CC[NH+]1CCN(C)CC1 ZINC000476284497 564333526 /nfs/dbraw/zinc/33/35/26/564333526.db2.gz QARLEILTEXHWGT-UHFFFAOYSA-N 1 0 388.375 2.965 20 0 GFADRO COCCCOc1ccc(Cl)cc1S(=O)(=O)N(CC[NH+](C)C)C(C)C ZINC000476413939 564337928 /nfs/dbraw/zinc/33/79/28/564337928.db2.gz VGLHTGKLBCKQTC-UHFFFAOYSA-N 1 0 392.949 2.716 20 0 GFADRO CC[NH+](CC)[C@H](CNS(=O)(=O)CCC(F)(F)F)c1cccc(OC)c1 ZINC000566693740 564338299 /nfs/dbraw/zinc/33/82/99/564338299.db2.gz VVIFRTFUMXKBGA-OAHLLOKOSA-N 1 0 382.448 2.950 20 0 GFADRO CN(C)C(=O)[C@@H]1CCCN1CCC[NH2+][C@H]1CCc2ccc(Br)cc21 ZINC000510656938 564342301 /nfs/dbraw/zinc/34/23/01/564342301.db2.gz NQIIJHBIAWKJFF-ROUUACIJSA-N 1 0 394.357 2.969 20 0 GFADRO C[C@H](Cc1cnccn1)[NH2+][C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000566779666 564342806 /nfs/dbraw/zinc/34/28/06/564342806.db2.gz JNPJEQSVVMOCJX-WBMJQRKESA-N 1 0 375.270 2.565 20 0 GFADRO CC[C@@H]1OCC[C@H]1[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000566782857 564343254 /nfs/dbraw/zinc/34/32/54/564343254.db2.gz GTGAZBBGAMZOKQ-BNOWGMLFSA-N 1 0 378.694 2.999 20 0 GFADRO CN(CCC[N@H+](C)Cc1ccco1)S(=O)(=O)c1ccc(Br)o1 ZINC000510683613 564343896 /nfs/dbraw/zinc/34/38/96/564343896.db2.gz QMUROCDLQKLTKL-UHFFFAOYSA-N 1 0 391.287 2.778 20 0 GFADRO C[C@@H](CCc1c(F)cccc1F)[NH2+]C[C@H](O)CS(=O)(=O)c1cccs1 ZINC000510682780 564344002 /nfs/dbraw/zinc/34/40/02/564344002.db2.gz NHJNHMWGOXUXMX-STQMWFEESA-N 1 0 389.489 2.772 20 0 GFADRO CC(C)(C)[C@H]1CCN(C(=O)[C@](C)([NH3+])c2ccc(Br)cc2)C[C@@H]1O ZINC000566854433 564346696 /nfs/dbraw/zinc/34/66/96/564346696.db2.gz NUBRYOKOQZJDQC-RLFYNMQTSA-N 1 0 383.330 2.879 20 0 GFADRO COC(=O)c1ccc(Cl)cc1S(=O)(=O)N[C@H](C)C[NH+]1CCCCCC1 ZINC000476593094 564347419 /nfs/dbraw/zinc/34/74/19/564347419.db2.gz GPMKAVMMGVRIEE-CYBMUJFWSA-N 1 0 388.917 2.669 20 0 GFADRO O=C(NCCc1c[nH]c2ccc(Br)cc12)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000543377873 564347464 /nfs/dbraw/zinc/34/74/64/564347464.db2.gz QMURXKMACLEZQQ-HNNXBMFYSA-N 1 0 391.313 2.963 20 0 GFADRO COC(=O)c1ccc(S(=O)(=O)NC(C)(C)CC[NH+]2CCCCCC2)s1 ZINC000476628819 564348671 /nfs/dbraw/zinc/34/86/71/564348671.db2.gz GCYMYARUJGUHRT-UHFFFAOYSA-N 1 0 388.555 2.858 20 0 GFADRO COc1cc([C@@H](C)[NH2+]CCNC(=O)c2cccc(Br)c2)ccn1 ZINC000566922906 564349603 /nfs/dbraw/zinc/34/96/03/564349603.db2.gz AWMKRVIAZXLPOC-GFCCVEGCSA-N 1 0 378.270 2.933 20 0 GFADRO COCCCS(=O)(=O)NCC[NH2+]C1(c2ccc(Cl)c(Cl)c2)CC1 ZINC000476658804 564350299 /nfs/dbraw/zinc/35/02/99/564350299.db2.gz AXVNMVQIELJKJE-UHFFFAOYSA-N 1 0 381.325 2.528 20 0 GFADRO CN(C)CC[N@H+](C)CCCNC(=O)[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000451796513 564353481 /nfs/dbraw/zinc/35/34/81/564353481.db2.gz MDEVMBGYRVUETN-DLBZAZTESA-N 1 0 382.346 2.552 20 0 GFADRO C[C@@H](O)C[N@@H+]1CCN(C(=O)CCCc2ccc(Br)s2)[C@H](C)C1 ZINC000476819062 564353946 /nfs/dbraw/zinc/35/39/46/564353946.db2.gz ACANPSKFVHJRTF-CHWSQXEVSA-N 1 0 389.359 2.747 20 0 GFADRO C[C@H]([NH2+][C@@H](C)c1cccc(S(N)(=O)=O)c1)C(=O)Nc1cccc(Cl)c1 ZINC000511031676 564354036 /nfs/dbraw/zinc/35/40/36/564354036.db2.gz OGIPKPHOBIWBRK-RYUDHWBXSA-N 1 0 381.885 2.665 20 0 GFADRO CCC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1ccc(Br)c(OC)c1 ZINC000511035979 564354690 /nfs/dbraw/zinc/35/46/90/564354690.db2.gz UUHUXIKIBGSRAY-LBPRGKRZSA-N 1 0 391.331 2.610 20 0 GFADRO COC(=O)C[C@@](C)(NC(=O)C[N@H+](C)C(C)C)c1ccc(Br)cc1 ZINC000476826188 564354845 /nfs/dbraw/zinc/35/48/45/564354845.db2.gz JUYYJNMRJZPLLI-QGZVFWFLSA-N 1 0 385.302 2.684 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)C(=O)N1CCC[C@H]1c1ccsc1)c1cccs1 ZINC000567065711 564355594 /nfs/dbraw/zinc/35/55/94/564355594.db2.gz IVXAGTDBTUXFRS-GJZGRUSLSA-N 1 0 377.535 2.892 20 0 GFADRO COC(=O)C[C@](C)(NC(=O)C1CC[NH+](C)CC1)c1ccc(Br)cc1 ZINC000476858440 564356668 /nfs/dbraw/zinc/35/66/68/564356668.db2.gz QQVHWAQQMYZBPA-SFHVURJKSA-N 1 0 397.313 2.685 20 0 GFADRO CCn1nc(C)c(C[NH2+]C[C@@H](O)COc2cccc(Br)c2)c1C ZINC000567103468 564357412 /nfs/dbraw/zinc/35/74/12/564357412.db2.gz DKXGHRBECOVJEL-OAHLLOKOSA-N 1 0 382.302 2.812 20 0 GFADRO O=C(NCc1ccc(Cl)cc1Cl)C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000567144892 564359179 /nfs/dbraw/zinc/35/91/79/564359179.db2.gz PNDQDDGPRCBQME-CQSZACIVSA-N 1 0 384.307 2.743 20 0 GFADRO OC[C@@H]1CCN(Cc2ccccc2)C[C@H]1[NH2+]Cc1ccc(Br)cn1 ZINC000567148064 564359384 /nfs/dbraw/zinc/35/93/84/564359384.db2.gz BFLBWBPUQSNMKI-QFBILLFUSA-N 1 0 390.325 2.817 20 0 GFADRO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)N(C)CCn1cc(Br)cn1 ZINC000567140357 564359546 /nfs/dbraw/zinc/35/95/46/564359546.db2.gz XEUOFPHUDOSTDX-KBPBESRZSA-N 1 0 386.338 2.550 20 0 GFADRO O=C(NCc1cc(Br)cc2c1OCC2)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000567222572 564361890 /nfs/dbraw/zinc/36/18/90/564361890.db2.gz IVBQXBCCXQIADU-OKILXGFUSA-N 1 0 394.313 2.525 20 0 GFADRO CCn1cc([C@H](C)[NH2+]C[C@H](O)COc2cc(F)cc(Br)c2)cn1 ZINC000451885689 564362124 /nfs/dbraw/zinc/36/21/24/564362124.db2.gz BBJDQANIATYINT-NHYWBVRUSA-N 1 0 386.265 2.895 20 0 GFADRO C[C@H](NCC(=O)NC1CC[NH+](C2CC2)CC1)c1ccc(Br)cc1F ZINC000567314387 564366069 /nfs/dbraw/zinc/36/60/69/564366069.db2.gz IRNSUORJLZBWBM-LBPRGKRZSA-N 1 0 398.320 2.982 20 0 GFADRO CS[C@@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)C[C@@H]1[NH+]1CCCC1 ZINC000477136659 564366416 /nfs/dbraw/zinc/36/64/16/564366416.db2.gz CYZWWLXVCVAYQX-LSDHHAIUSA-N 1 0 394.484 2.906 20 0 GFADRO CCc1sc(C(=O)N2CCN(c3nccn3C)CC2)cc1Br ZINC000477156941 564367298 /nfs/dbraw/zinc/36/72/98/564367298.db2.gz BIBHGHSLXHEYAH-UHFFFAOYSA-N 1 0 383.315 2.769 20 0 GFADRO C[NH+]1CCC(C)(CNC(=O)Nc2cnc3c(Br)cccn23)CC1 ZINC000567380269 564368605 /nfs/dbraw/zinc/36/86/05/564368605.db2.gz NAYOHYBYZYTQBJ-UHFFFAOYSA-N 1 0 380.290 2.950 20 0 GFADRO CC(C)[NH2+]C1(CO)CCN(C[C@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000567363981 564369185 /nfs/dbraw/zinc/36/91/85/564369185.db2.gz XERKSTVUJJTWKW-HNNXBMFYSA-N 1 0 391.339 2.558 20 0 GFADRO C[C@@H](CNS(=O)(=O)c1ccc(Br)cc1C(F)(F)F)[NH+](C)C ZINC000451930935 564369290 /nfs/dbraw/zinc/36/92/90/564369290.db2.gz OCJCHBCRDBGEQT-QMMMGPOBSA-N 1 0 389.237 2.696 20 0 GFADRO CS(=O)(=O)N1CCC[C@H]([NH2+][C@H]2CCCc3c(Br)cccc32)C1 ZINC000544043467 564372256 /nfs/dbraw/zinc/37/22/56/564372256.db2.gz VHCKQWHLPNAYMI-LRDDRELGSA-N 1 0 387.343 2.840 20 0 GFADRO O=C([C@@H]1Cc2ccccc2C[NH2+]1)N1CCOc2ccc(Br)cc2C1 ZINC000567502956 564374237 /nfs/dbraw/zinc/37/42/37/564374237.db2.gz SVALSLSRGVKSLA-KRWDZBQOSA-N 1 0 387.277 2.885 20 0 GFADRO Cc1c(Br)scc1C(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000477350012 564374338 /nfs/dbraw/zinc/37/43/38/564374338.db2.gz JSUWYEWDPFXYBP-GFCCVEGCSA-N 1 0 375.332 2.642 20 0 GFADRO O=C(CCOC1C[NH2+]C1)N1CCC(COc2cc(Cl)cc(Cl)c2)CC1 ZINC000567499357 564374891 /nfs/dbraw/zinc/37/48/91/564374891.db2.gz VLGFYPZZWCXCBR-UHFFFAOYSA-N 1 0 387.307 2.989 20 0 GFADRO COC[C@@]1(CNC(=O)[C@@H](C)Cc2ccc(F)c(Br)c2)CCC[NH2+]1 ZINC000567580899 564378523 /nfs/dbraw/zinc/37/85/23/564378523.db2.gz AVKIJRVWNGBDBA-SJCJKPOMSA-N 1 0 387.293 2.652 20 0 GFADRO C[C@H](NC(=O)N1CCc2ccccc2[C@@H]1C[NH3+])c1ncc(Br)cn1 ZINC000567610765 564379561 /nfs/dbraw/zinc/37/95/61/564379561.db2.gz ZRHCKRNRDZDHOW-NHYWBVRUSA-N 1 0 390.285 2.568 20 0 GFADRO COCC[NH+]1CCN(Cc2cc(Br)cc(Br)c2)CC1 ZINC000567650916 564381139 /nfs/dbraw/zinc/38/11/39/564381139.db2.gz ZSEHMNZWLVWCEZ-UHFFFAOYSA-N 1 0 392.135 2.976 20 0 GFADRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)Nc1cc(F)c(Br)cc1F ZINC000511745113 564381140 /nfs/dbraw/zinc/38/11/40/564381140.db2.gz RIKCZMUIMUIPHD-SECBINFHSA-N 1 0 392.244 2.512 20 0 GFADRO CCO[C@@H]1CCC[C@H]1[NH2+]CC(=O)Nc1cccc(I)c1 ZINC000452019550 564382768 /nfs/dbraw/zinc/38/27/68/564382768.db2.gz SLFRIWHULYPOGJ-ZIAGYGMSSA-N 1 0 388.249 2.777 20 0 GFADRO O=C(Cn1cc(Br)cn1)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000511818139 564383332 /nfs/dbraw/zinc/38/33/32/564383332.db2.gz SUSSYLACGFRYSN-INIZCTEOSA-N 1 0 377.286 2.599 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@@H](NCCS(=O)(=O)c2cccc(Br)c2)C1 ZINC000567683519 564383554 /nfs/dbraw/zinc/38/35/54/564383554.db2.gz PYZJHPWFQQSJJQ-HUUCEWRRSA-N 1 0 389.359 2.685 20 0 GFADRO CCCCS(=O)(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000511894247 564384687 /nfs/dbraw/zinc/38/46/87/564384687.db2.gz RSSWPYJQDBDAAA-UHFFFAOYSA-N 1 0 377.348 2.943 20 0 GFADRO CCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@H](CO)c1cccc(Br)c1 ZINC000511911918 564384819 /nfs/dbraw/zinc/38/48/19/564384819.db2.gz WXVXMFJJYKRNTI-JKSUJKDBSA-N 1 0 384.318 2.656 20 0 GFADRO CC[NH+]1CCN(CC(C)(C)NS(=O)(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000452059356 564387446 /nfs/dbraw/zinc/38/74/46/564387446.db2.gz OPTPHBZIYYPRHI-UHFFFAOYSA-N 1 0 394.368 2.688 20 0 GFADRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)Nc1cccc(F)c1I ZINC000544607991 564389521 /nfs/dbraw/zinc/38/95/21/564389521.db2.gz JKXXLXVVAYKSTC-NXEZZACHSA-N 1 0 391.228 2.987 20 0 GFADRO Cc1ccc(S(=O)(=O)N(C)CCC[NH+]2CCCC2)cc1Br ZINC000544599230 564389964 /nfs/dbraw/zinc/38/99/64/564389964.db2.gz NIATZMJXXDHHNY-UHFFFAOYSA-N 1 0 375.332 2.864 20 0 GFADRO CCS(=O)(=O)C[C@H](C)[NH2+]Cc1cccc(-c2nc(C(=O)OC)cs2)c1 ZINC000477864204 564390030 /nfs/dbraw/zinc/39/00/30/564390030.db2.gz TWJJZDSICBXCJN-LBPRGKRZSA-N 1 0 382.507 2.510 20 0 GFADRO CCOCCOC[C@H](O)C[NH2+][C@@H]1CCCOc2c(Br)cccc21 ZINC000477921777 564390502 /nfs/dbraw/zinc/39/05/02/564390502.db2.gz OZASGSIYYMQCBM-CZUORRHYSA-N 1 0 388.302 2.666 20 0 GFADRO CCOCCOC[C@@H](O)C[NH2+][C@@H]1CCCOc2c(Br)cccc21 ZINC000477921780 564390871 /nfs/dbraw/zinc/39/08/71/564390871.db2.gz OZASGSIYYMQCBM-XJKSGUPXSA-N 1 0 388.302 2.666 20 0 GFADRO O=C(NCc1ccc(I)c(Cl)c1)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000567825386 564391039 /nfs/dbraw/zinc/39/10/39/564391039.db2.gz NBMGXCICZUVHNQ-IINYFYTJSA-N 1 0 390.652 2.560 20 0 GFADRO CS(=O)(=O)[C@@H]1CCCC[C@@H]1[NH2+]CCCOc1ccc(C(F)(F)F)cn1 ZINC000477926679 564391069 /nfs/dbraw/zinc/39/10/69/564391069.db2.gz MXAXRVITJREDDC-UONOGXRCSA-N 1 0 380.432 2.815 20 0 GFADRO [NH3+]C[C@@H](C(=O)N1CCOc2ccc(Br)cc2C1)c1ccccc1 ZINC000567822662 564391150 /nfs/dbraw/zinc/39/11/50/564391150.db2.gz JBDUMIBWXJLDRL-MRXNPFEDSA-N 1 0 375.266 2.913 20 0 GFADRO COc1cc(I)c(Cl)cc1C(=O)N[C@H](C)CCC[NH3+] ZINC000567848091 564392109 /nfs/dbraw/zinc/39/21/09/564392109.db2.gz RMEIZLZGWFNZJV-MRVPVSSYSA-N 1 0 396.656 2.810 20 0 GFADRO O=S(=O)(Cc1ccc(Cl)cc1Br)NCC[C@H]1CC[NH2+]C1 ZINC000567850655 564392311 /nfs/dbraw/zinc/39/23/11/564392311.db2.gz ZKFYSQKJNZWBLM-SNVBAGLBSA-N 1 0 381.723 2.522 20 0 GFADRO CC(=O)Nc1cc(F)c(S(=O)(=O)N(C)[C@H]2CC[N@@H+](C(C)C)C2)cc1Cl ZINC000452105185 564392998 /nfs/dbraw/zinc/39/29/98/564392998.db2.gz NJTFPNNNXQMKJC-LBPRGKRZSA-N 1 0 391.896 2.541 20 0 GFADRO [NH3+][C@@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)s2)C[C@H]1c1ccccc1 ZINC000567868408 564393442 /nfs/dbraw/zinc/39/34/42/564393442.db2.gz SRXNKSXGZZQIMG-NWDGAFQWSA-N 1 0 376.425 2.882 20 0 GFADRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)CNC(=O)c1sc2ccccc2c1Cl ZINC000567888930 564395059 /nfs/dbraw/zinc/39/50/59/564395059.db2.gz TVMKZTTXEXMSHZ-LBPRGKRZSA-N 1 0 379.913 2.837 20 0 GFADRO C[C@@H](NCc1ccc(C[NH3+])cc1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000567895599 564395561 /nfs/dbraw/zinc/39/55/61/564395561.db2.gz QIQDLBISUBQQLT-SNVBAGLBSA-N 1 0 388.320 2.950 20 0 GFADRO CCN(CCC[NH2+]Cc1cc2cc(Br)ccc2o1)S(C)(=O)=O ZINC000567916384 564395838 /nfs/dbraw/zinc/39/58/38/564395838.db2.gz SYWJNRNDBALTSD-UHFFFAOYSA-N 1 0 389.315 2.957 20 0 GFADRO CCO[C@@H](CC[NH+](C)C)CNC(=O)[C@@H]1CCc2cc(Br)ccc21 ZINC000567941317 564396543 /nfs/dbraw/zinc/39/65/43/564396543.db2.gz QVZGFXWTHDATMD-DOTOQJQBSA-N 1 0 383.330 2.952 20 0 GFADRO COC[C@H](C[NH2+][C@H]1CCCOc2ccc(I)cc21)OC ZINC000512286412 564396903 /nfs/dbraw/zinc/39/69/03/564396903.db2.gz CCJPNZFMPOMWOO-JSGCOSHPSA-N 1 0 391.249 2.756 20 0 GFADRO COc1cc(C)c(Br)cc1C(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000512311161 564397983 /nfs/dbraw/zinc/39/79/83/564397983.db2.gz WRRTTYAEPYQHRT-UHFFFAOYSA-N 1 0 399.329 2.949 20 0 GFADRO CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+][C@@H](CCO)c2ccccc2Br)C1 ZINC000512350202 564399056 /nfs/dbraw/zinc/39/90/56/564399056.db2.gz JOIHGBYXXHQNPV-ZENOOKHLSA-N 1 0 390.343 2.818 20 0 GFADRO C[C@@H](C[NH+](C)C)NC(=O)N1CCN([C@@H](C)c2ccc(Br)cc2)CC1 ZINC000512432029 564401461 /nfs/dbraw/zinc/40/14/61/564401461.db2.gz MJTYOYHHTYHKMJ-GJZGRUSLSA-N 1 0 397.361 2.787 20 0 GFADRO C[N@@H+]1CCC[C@H](CCNC(=O)[C@H]2CC(=O)Nc3ccc(Br)cc32)C1 ZINC000568041937 564402308 /nfs/dbraw/zinc/40/23/08/564402308.db2.gz TVRRLKMJWNBMCH-DOMZBBRYSA-N 1 0 394.313 2.723 20 0 GFADRO C[C@@H](C[NH2+]C[C@@H]1CCN(S(=O)(=O)c2cccs2)C1)CC1CCOCC1 ZINC000512552800 564405177 /nfs/dbraw/zinc/40/51/77/564405177.db2.gz UTQYGGLAVJZXSS-WBVHZDCISA-N 1 0 386.583 2.801 20 0 GFADRO CCc1sc(C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)cc1Br ZINC000512562337 564405788 /nfs/dbraw/zinc/40/57/88/564405788.db2.gz UENWIQOZGAFTRQ-UHFFFAOYSA-N 1 0 388.375 2.829 20 0 GFADRO O=C(COc1cc(Cl)c(Cl)cc1Cl)NC[C@H]1CCC[N@H+]1CCCO ZINC000452349686 564406716 /nfs/dbraw/zinc/40/67/16/564406716.db2.gz NJFRLOYSLJRUTR-LLVKDONJSA-N 1 0 395.714 2.989 20 0 GFADRO Cc1nn(C)cc1[C@@H](C)[NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000568165141 564407312 /nfs/dbraw/zinc/40/73/12/564407312.db2.gz PHMJJITVYJTYDP-QMTHXVAHSA-N 1 0 386.265 2.721 20 0 GFADRO CC[C@H](Cc1ccccc1Br)C(=O)NC[C@@H]1CCC[N@@H+]1CCCO ZINC000452374565 564409887 /nfs/dbraw/zinc/40/98/87/564409887.db2.gz WXWXYERCMGHKAS-WBVHZDCISA-N 1 0 397.357 2.981 20 0 GFADRO CC[C@@H](Cc1ccccc1Br)C(=O)NC[C@@H]1CCC[N@@H+]1CCCO ZINC000452374564 564410311 /nfs/dbraw/zinc/41/03/11/564410311.db2.gz WXWXYERCMGHKAS-RDJZCZTQSA-N 1 0 397.357 2.981 20 0 GFADRO O=C(N[C@@H]1CCC[N@@H+](CCCO)C1)[C@@H]1C[C@@H]1c1cccc(Br)c1 ZINC000452372866 564410360 /nfs/dbraw/zinc/41/03/60/564410360.db2.gz FAQLJWPIBBZYFB-BRWVUGGUSA-N 1 0 381.314 2.516 20 0 GFADRO C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000452376738 564410405 /nfs/dbraw/zinc/41/04/05/564410405.db2.gz PGOYRQURLYVCPU-CHWSQXEVSA-N 1 0 375.296 2.724 20 0 GFADRO O=C(N[C@H]1CCC[N@@H+](CCCO)C1)[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000452378668 564412046 /nfs/dbraw/zinc/41/20/46/564412046.db2.gz XCDSYCBVGJQYSA-YESZJQIVSA-N 1 0 381.314 2.516 20 0 GFADRO C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NC[C@@H]1CCCC[N@@H+]1CCO ZINC000452394721 564412362 /nfs/dbraw/zinc/41/23/62/564412362.db2.gz VLEDWRFZIJZNHP-JSGCOSHPSA-N 1 0 375.296 2.724 20 0 GFADRO O=C(NC[C@H]1CCCC[N@H+]1CCO)c1cc2ccc(Br)cc2[nH]1 ZINC000452389191 564412640 /nfs/dbraw/zinc/41/26/40/564412640.db2.gz LLOJODUSBSMPBA-CQSZACIVSA-N 1 0 380.286 2.507 20 0 GFADRO O=C(NC[C@H]1CCCC[N@H+]1CCO)c1cc2cc(Br)ccc2o1 ZINC000452391903 564412773 /nfs/dbraw/zinc/41/27/73/564412773.db2.gz QRLNUGOXMCERSZ-CQSZACIVSA-N 1 0 381.270 2.772 20 0 GFADRO C[C@]1(CNC(=O)Nc2ccc(I)cc2F)CCC[NH2+]C1 ZINC000568282056 564412760 /nfs/dbraw/zinc/41/27/60/564412760.db2.gz LZFADRZFHBJBAD-AWEZNQCLSA-N 1 0 391.228 2.942 20 0 GFADRO CC[NH+](CC)CCS(=O)(=O)N[C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 ZINC000568331674 564413682 /nfs/dbraw/zinc/41/36/82/564413682.db2.gz LPQBNGGOVDFPHS-HZPDHXFCSA-N 1 0 378.897 2.570 20 0 GFADRO CN(CCOc1ccc(Cl)cc1)C(=O)C[N@@H+]1CC[C@H](COC(F)F)C1 ZINC000512851330 564414084 /nfs/dbraw/zinc/41/40/84/564414084.db2.gz NMIFLMILJZVUIU-ZDUSSCGKSA-N 1 0 376.831 2.738 20 0 GFADRO CS(=O)(=O)N[C@@H]1CCCC[C@H]1C[NH2+]Cc1cc(Br)ccc1F ZINC000512868370 564414520 /nfs/dbraw/zinc/41/45/20/564414520.db2.gz BPZOMUFOERNNSW-XHDPSFHLSA-N 1 0 393.322 2.786 20 0 GFADRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)Cc1noc2ccc(Br)cc21 ZINC000568383332 564416388 /nfs/dbraw/zinc/41/63/88/564416388.db2.gz BBGNYGOFSWZMEK-MEBBXXQBSA-N 1 0 378.270 2.732 20 0 GFADRO O=S(=O)(NCCC[C@@H]1CCC[NH2+]1)c1cc(Br)sc1Cl ZINC000568390944 564416564 /nfs/dbraw/zinc/41/65/64/564416564.db2.gz SQLXHONZMQVYCI-QMMMGPOBSA-N 1 0 387.752 2.975 20 0 GFADRO Cc1cc(Br)cc(C)c1N1CCC[C@H]([NH2+]Cc2cn(C)nn2)C1 ZINC000512982769 564416650 /nfs/dbraw/zinc/41/66/50/564416650.db2.gz IHUXGDXGNMIBFO-HNNXBMFYSA-N 1 0 378.318 2.953 20 0 GFADRO CS(=O)(=O)N1CCCC[C@@H]1C[NH2+]Cc1c[nH]nc1-c1cccc(Cl)c1 ZINC000512992106 564417098 /nfs/dbraw/zinc/41/70/98/564417098.db2.gz IYQGQGDIONJFOD-MRXNPFEDSA-N 1 0 382.917 2.634 20 0 GFADRO O=C1NCC[C@@H]1CC[N@H+](CCc1ccc(Cl)cc1)C[C@@H](O)C(F)(F)F ZINC000568408260 564417312 /nfs/dbraw/zinc/41/73/12/564417312.db2.gz ISSWJVXSHXOCDS-UKRRQHHQSA-N 1 0 378.822 2.634 20 0 GFADRO O[C@H](COc1ccc(Cl)cc1Br)C[NH+]1CC2(C1)CCOCC2 ZINC000545342129 564417523 /nfs/dbraw/zinc/41/75/23/564417523.db2.gz FUYXFVNRSKTUJR-ZDUSSCGKSA-N 1 0 390.705 2.955 20 0 GFADRO Cc1ccc(Br)c(S(=O)(=O)NCC[NH2+]C2CCSCC2)c1 ZINC000513118083 564421004 /nfs/dbraw/zinc/42/10/04/564421004.db2.gz XSIFAHKEEKSCTC-UHFFFAOYSA-N 1 0 393.372 2.521 20 0 GFADRO CCCN1C[C@H](C[NH2+]C[C@H](O)COc2ccc(Cl)cc2Cl)CC1=O ZINC000568502038 564421089 /nfs/dbraw/zinc/42/10/89/564421089.db2.gz BINSCRGROJSEFK-JSGCOSHPSA-N 1 0 375.296 2.581 20 0 GFADRO COc1cc(Br)c(NC(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)cc1OC ZINC000568487100 564421282 /nfs/dbraw/zinc/42/12/82/564421282.db2.gz YBCRVMJYWGQXIU-WCQYABFASA-N 1 0 398.301 2.976 20 0 GFADRO C[C@H](N[C@@H]1CC[N@@H+](C2CC2)C1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000479079510 564425244 /nfs/dbraw/zinc/42/52/44/564425244.db2.gz QIJLROYYKNELGW-VHSXEESVSA-N 1 0 378.325 2.528 20 0 GFADRO CO[C@@H](C)C[N@H+](C)[C@H](C)C(=O)Nc1ccc(I)cc1 ZINC000513265571 564426101 /nfs/dbraw/zinc/42/61/01/564426101.db2.gz GKDJFMUKSJHPPQ-WDEREUQCSA-N 1 0 376.238 2.585 20 0 GFADRO O=C(CC(F)(F)F)N1CCC([NH2+]C[C@H](O)Cc2cccc(Cl)c2)CC1 ZINC000568621478 564426610 /nfs/dbraw/zinc/42/66/10/564426610.db2.gz OXBPBWNZFHTFFW-OAHLLOKOSA-N 1 0 378.822 2.776 20 0 GFADRO CCO[C@@H]1C[C@H]([NH2+]Cc2cc(O)c(OC)cc2Br)[C@@]12CCCO2 ZINC000545550194 564427280 /nfs/dbraw/zinc/42/72/80/564427280.db2.gz VCFDCGRHUNMMQI-BBWFWOEESA-N 1 0 386.286 2.980 20 0 GFADRO Nc1nccc([C@@H]2CCC[N@H+](CCOc3cccc(Br)c3)C2)n1 ZINC000568652609 564428979 /nfs/dbraw/zinc/42/89/79/564428979.db2.gz NHSNYMAPMQBNHK-CYBMUJFWSA-N 1 0 377.286 3.080 20 0 GFADRO C[C@@H]([NH2+]Cc1nc2c(cccc2Br)[nH]1)C1CCS(=O)(=O)CC1 ZINC000568714455 564431388 /nfs/dbraw/zinc/43/13/88/564431388.db2.gz QARNZBSHCPFTCD-SNVBAGLBSA-N 1 0 386.315 2.628 20 0 GFADRO CC[N@H+](CCO)CCNC(=O)NCCc1c[nH]c2cc(Cl)cc(Cl)c12 ZINC000479213693 564432032 /nfs/dbraw/zinc/43/20/32/564432032.db2.gz JNZQFJYGYJRTRC-UHFFFAOYSA-N 1 0 387.311 2.631 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)C(=O)NCC[NH+]1CCCCC1 ZINC000479310136 564435255 /nfs/dbraw/zinc/43/52/55/564435255.db2.gz DTMOMLVDXANIMV-UHFFFAOYSA-N 1 0 382.302 2.552 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000479311868 564435530 /nfs/dbraw/zinc/43/55/30/564435530.db2.gz FIRMFODXNJMIKB-CVEARBPZSA-N 1 0 394.313 2.693 20 0 GFADRO CO[C@H]1CCN(C(=O)NCc2cc(Cl)ccc2Br)[C@@H](C[NH3+])C1 ZINC000568864097 564438358 /nfs/dbraw/zinc/43/83/58/564438358.db2.gz XAFOSYGVTZENAO-OLZOCXBDSA-N 1 0 390.709 2.750 20 0 GFADRO C[C@@H](NC(=O)CNC(=O)c1sc2ccccc2c1Cl)[C@@H]1CCC[NH2+]C1 ZINC000568982681 564443418 /nfs/dbraw/zinc/44/34/18/564443418.db2.gz IRJWCBVNSVAQEN-VXGBXAGGSA-N 1 0 379.913 2.789 20 0 GFADRO COC(=O)c1ccc(S(=O)(=O)NCC2(C[NH+](C)C)CCCC2)cc1Cl ZINC000546075434 564443776 /nfs/dbraw/zinc/44/37/76/564443776.db2.gz LEPALBJJHISOIJ-UHFFFAOYSA-N 1 0 388.917 2.527 20 0 GFADRO C[C@@]1(CO)CCC[N@@H+]1C[C@H](O)COc1ccc(Cl)cc1Br ZINC000546104607 564444469 /nfs/dbraw/zinc/44/44/69/564444469.db2.gz MAHZQHYBQVQASB-WFASDCNBSA-N 1 0 378.694 2.689 20 0 GFADRO COc1ccc(Br)cc1C(=O)CCC(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000453040440 564445119 /nfs/dbraw/zinc/44/51/19/564445119.db2.gz SXTHRURSHSEJLL-SWLSCSKDSA-N 1 0 395.297 2.583 20 0 GFADRO CC(=O)N1CCN(CC[NH2+][C@@H](Cc2ccccc2Br)C2CC2)CC1 ZINC000453057322 564445845 /nfs/dbraw/zinc/44/58/45/564445845.db2.gz IAPWSLZUNRULHB-IBGZPJMESA-N 1 0 394.357 2.524 20 0 GFADRO C[C@H]1c2cccc(Br)c2CC[N@H+]1CCC(=O)N1CCN(C)CC1 ZINC000514143046 564447006 /nfs/dbraw/zinc/44/70/06/564447006.db2.gz ZRZPGMTXAFBGOI-AWEZNQCLSA-N 1 0 380.330 2.532 20 0 GFADRO COC1([C@H](C)[NH2+]CC(=O)Nc2ccc(Br)cc2C)CCOCC1 ZINC000453134054 564448118 /nfs/dbraw/zinc/44/81/18/564448118.db2.gz JTPSCPBJXZATHM-ZDUSSCGKSA-N 1 0 385.302 2.870 20 0 GFADRO CC[C@H]([NH2+][C@@H](C)C(=O)Nc1cccc(S(=O)(=O)NC)c1)c1ccsc1 ZINC000453157730 564448431 /nfs/dbraw/zinc/44/84/31/564448431.db2.gz JCGKXCRSVAOXBI-LRDDRELGSA-N 1 0 381.523 2.724 20 0 GFADRO CC[NH+](CC)[C@H](CNC(=O)C(=O)NCc1cscc1C)c1ccsc1 ZINC000569096400 564449000 /nfs/dbraw/zinc/44/90/00/564449000.db2.gz YNWQUVQQZOOYKI-MRXNPFEDSA-N 1 0 379.551 2.934 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)c(C)c1C(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000569105127 564449199 /nfs/dbraw/zinc/44/91/99/564449199.db2.gz UPPGUBRDLDGVKN-NHYWBVRUSA-N 1 0 377.286 2.813 20 0 GFADRO C[C@H]([NH2+]CC1(S(C)(=O)=O)CC1)c1ccc(F)c(I)c1 ZINC000453233960 564449499 /nfs/dbraw/zinc/44/94/99/564449499.db2.gz XZVHKZCEGVPEBR-VIFPVBQESA-N 1 0 397.253 2.658 20 0 GFADRO O=C(NCC[NH2+][C@H](Cc1ccccc1Br)C1CC1)c1ccn[nH]1 ZINC000453199543 564449855 /nfs/dbraw/zinc/44/98/55/564449855.db2.gz SOYNEXUNKJFRFH-MRXNPFEDSA-N 1 0 377.286 2.513 20 0 GFADRO COC[C@@](C)(O)CC[NH2+][C@H](C)c1nnn(-c2cccc(Br)c2)c1C ZINC000453262229 564450289 /nfs/dbraw/zinc/45/02/89/564450289.db2.gz SNMWWEASNLJCDQ-PXAZEXFGSA-N 1 0 397.317 2.776 20 0 GFADRO CN(C)Cc1ccc(NC(=O)c2ccn(CC[NH+](C)C)n2)cc1Br ZINC000569137036 564450532 /nfs/dbraw/zinc/45/05/32/564450532.db2.gz CQYRJCLOQDXFSV-UHFFFAOYSA-N 1 0 394.317 2.521 20 0 GFADRO CC[C@H](COCC(F)(F)F)[NH2+][C@H]1CCCc2cc(S(N)(=O)=O)ccc21 ZINC000453258156 564450975 /nfs/dbraw/zinc/45/09/75/564450975.db2.gz OFWAZUZNFRQYLN-DOMZBBRYSA-N 1 0 380.432 2.659 20 0 GFADRO O=S(=O)(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000479795972 564451134 /nfs/dbraw/zinc/45/11/34/564451134.db2.gz XHZCVIJKWBKWLZ-DTORHVGOSA-N 1 0 388.333 2.564 20 0 GFADRO CC[C@@H](CNS(C)(=O)=O)[NH2+][C@H](Cc1ccccc1Br)C1CC1 ZINC000453279738 564451523 /nfs/dbraw/zinc/45/15/23/564451523.db2.gz JGPFESZZQYRBQJ-GOEBONIOSA-N 1 0 389.359 2.688 20 0 GFADRO CC[C@H](CNS(C)(=O)=O)[NH2+][C@H]1CCCOc2ccc(Br)cc21 ZINC000453288646 564451536 /nfs/dbraw/zinc/45/15/36/564451536.db2.gz RJKDGAQUNFZGQO-OCCSQVGLSA-N 1 0 391.331 2.580 20 0 GFADRO Cc1cc(C[NH2+][C@@H](C)c2ccc(Br)c(S(N)(=O)=O)c2)ccn1 ZINC000453279027 564451637 /nfs/dbraw/zinc/45/16/37/564451637.db2.gz DOANXXFXTMQLBS-NSHDSACASA-N 1 0 384.299 2.651 20 0 GFADRO CC[C@@H](CNS(C)(=O)=O)[NH2+][C@H]1CCc2cc(Br)cc(C)c21 ZINC000453289561 564451912 /nfs/dbraw/zinc/45/19/12/564451912.db2.gz SKZZVIXYTABCMJ-KBPBESRZSA-N 1 0 375.332 2.662 20 0 GFADRO CC[C@H](CNS(C)(=O)=O)[NH2+][C@@H](c1ccc(Br)cc1F)C1CC1 ZINC000453296445 564453190 /nfs/dbraw/zinc/45/31/90/564453190.db2.gz YPOVXFSTASTIAS-IUODEOHRSA-N 1 0 393.322 2.957 20 0 GFADRO C[C@@H]([NH2+]CCN1C[C@H]2CC[C@@H](C1)O2)c1ccccc1I ZINC000453334783 564453878 /nfs/dbraw/zinc/45/38/78/564453878.db2.gz JUPQAXRNLSPARB-MCIONIFRSA-N 1 0 386.277 2.805 20 0 GFADRO O=C(C[NH2+]C[C@@H]1CCCO1)NCc1ccc(Br)cc1C(F)(F)F ZINC000569229268 564454167 /nfs/dbraw/zinc/45/41/67/564454167.db2.gz OUVLAHLVFXODGB-LBPRGKRZSA-N 1 0 395.219 2.853 20 0 GFADRO CC(C)(C(=O)N[C@H](CO)C[NH+]1CCCCC1)c1cccc(Br)c1 ZINC000514690691 564454421 /nfs/dbraw/zinc/45/44/21/564454421.db2.gz ALYNFTHTBAZFKF-INIZCTEOSA-N 1 0 383.330 2.690 20 0 GFADRO COc1ccc(C[C@H](CO)C[NH2+][C@@H](C)c2ccncn2)cc1Br ZINC000453392100 564456034 /nfs/dbraw/zinc/45/60/34/564456034.db2.gz ZCGLBCJDVKYWFG-JSGCOSHPSA-N 1 0 380.286 2.750 20 0 GFADRO Cc1csc(C(=O)NCCC[C@@H]2CCC[NH2+]2)c1I ZINC000514855537 564460227 /nfs/dbraw/zinc/46/02/27/564460227.db2.gz MHYICAGFIRAMTD-JTQLQIEISA-N 1 0 378.279 2.923 20 0 GFADRO C[C@H](NC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1)c1ncc(Br)cn1 ZINC000514844099 564460405 /nfs/dbraw/zinc/46/04/05/564460405.db2.gz PHZRPEJTKONPTR-ZFWWWQNUSA-N 1 0 396.333 2.960 20 0 GFADRO Cc1cc(Cl)cc(NC(=O)C(=O)N2CC[C@@H]([NH+](C)C)C2)c1Br ZINC000453633021 564460406 /nfs/dbraw/zinc/46/04/06/564460406.db2.gz ILUGAZHEVPHOIM-LLVKDONJSA-N 1 0 388.693 2.512 20 0 GFADRO C[N@@H+]1CCC[C@H](CNC(=O)NCc2cc(Br)cc3c2OCC3)C1 ZINC000546608741 564461253 /nfs/dbraw/zinc/46/12/53/564461253.db2.gz HMNVNXSREICYOG-GFCCVEGCSA-N 1 0 382.302 2.525 20 0 GFADRO O=C(NCc1cc(Br)cc2c1OCC2)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000546618989 564462375 /nfs/dbraw/zinc/46/23/75/564462375.db2.gz SOSHQLIHMAGMDD-INIZCTEOSA-N 1 0 394.313 2.764 20 0 GFADRO C[N@H+](CC[C@H]1CCNC1=O)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000569429695 564462564 /nfs/dbraw/zinc/46/25/64/564462564.db2.gz DXHZABSCOUQUEW-SNVBAGLBSA-N 1 0 377.794 2.755 20 0 GFADRO COc1cc2[nH+]ccc(N3CCS(=O)(=O)C[C@H](C)C3)c2cc1Br ZINC000514933278 564462818 /nfs/dbraw/zinc/46/28/18/564462818.db2.gz YYNWXYGZGWFJGF-LLVKDONJSA-N 1 0 399.310 2.877 20 0 GFADRO C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+]CCCCS(C)(=O)=O ZINC000569474189 564465100 /nfs/dbraw/zinc/46/51/00/564465100.db2.gz GGIHRHGJBHORAM-GFCCVEGCSA-N 1 0 380.432 2.837 20 0 GFADRO CC(C)[C@](C)(O)C[NH2+][C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000480240114 564466086 /nfs/dbraw/zinc/46/60/86/564466086.db2.gz JLFCCYZMCUAWTD-DZGCQCFKSA-N 1 0 376.316 2.664 20 0 GFADRO C[NH+](C)[C@@]1(CNC(=O)c2ccccc2OCc2cscn2)CCSC1 ZINC000480261394 564466560 /nfs/dbraw/zinc/46/65/60/564466560.db2.gz HQKLZFQTSXFJJI-GOSISDBHSA-N 1 0 377.535 2.889 20 0 GFADRO C[C@H](Oc1ccccc1Br)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000480276701 564466636 /nfs/dbraw/zinc/46/66/36/564466636.db2.gz HZFNIDHUOVQSML-LRDDRELGSA-N 1 0 387.343 2.770 20 0 GFADRO Cc1ccc(F)c(Br)c1NC(=O)C(=O)N[C@@H](C)C[N@@H+](C)C(C)C ZINC000453745038 564468389 /nfs/dbraw/zinc/46/83/89/564468389.db2.gz GLDUMSXDIMFIRP-NSHDSACASA-N 1 0 388.281 2.680 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)c2ncc(Br)cc2Br)CC[N@@H+]1C ZINC000546796888 564469059 /nfs/dbraw/zinc/46/90/59/564469059.db2.gz HEJHGUGGMJPMAG-SCZZXKLOSA-N 1 0 391.107 2.819 20 0 GFADRO C[NH+](C)CC1(NS(=O)(=O)c2ccc(Cl)cc2Br)CCC1 ZINC000546904258 564473200 /nfs/dbraw/zinc/47/32/00/564473200.db2.gz PCIXXWRUKJPKQG-UHFFFAOYSA-N 1 0 381.723 2.865 20 0 GFADRO O=C(N[C@@H](c1cccs1)c1ccc(Cl)cc1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000480502291 564475775 /nfs/dbraw/zinc/47/57/75/564475775.db2.gz XRMKWQAVMUVDTO-SJLPKXTDSA-N 1 0 375.925 2.997 20 0 GFADRO CC(=O)Nc1ccc(Br)cc1NC(=O)COC1CCC([NH3+])CC1 ZINC000569723668 564475991 /nfs/dbraw/zinc/47/59/91/564475991.db2.gz IATIDBWKVYMEOJ-UHFFFAOYSA-N 1 0 384.274 2.633 20 0 GFADRO CC[NH+](CC)CCS(=O)(=O)N1CCc2c(Br)cc(C)cc2C1 ZINC000569891505 564481738 /nfs/dbraw/zinc/48/17/38/564481738.db2.gz KLIDNRDYCBCMKP-UHFFFAOYSA-N 1 0 389.359 2.787 20 0 GFADRO CN1CCN(C(=O)N[C@@H](c2ccsc2)c2ccc(Cl)cc2)[C@H](C[NH3+])C1 ZINC000515619425 564483663 /nfs/dbraw/zinc/48/36/63/564483663.db2.gz ILIHMZONBBFFGT-IAGOWNOFSA-N 1 0 378.929 2.775 20 0 GFADRO C[N@@H+]1CC[C@@](O)(CNC(=O)CCSc2ccnc3cc(Cl)ccc32)C1 ZINC000547295236 564483755 /nfs/dbraw/zinc/48/37/55/564483755.db2.gz VBDPOKHDPISLHA-GOSISDBHSA-N 1 0 379.913 2.553 20 0 GFADRO CC[NH+](CC)C[C@@H](C)NS(=O)(=O)c1cc(F)c(Br)cc1F ZINC000480725240 564485029 /nfs/dbraw/zinc/48/50/29/564485029.db2.gz CYLJQGCYFPIDEB-SECBINFHSA-N 1 0 385.274 2.736 20 0 GFADRO C[N@H+](CC(=O)N[C@@H]1CCOc2ccc(Br)cc21)[C@@H]1CCSC1 ZINC000480731968 564485042 /nfs/dbraw/zinc/48/50/42/564485042.db2.gz AHXGFDZSJWAMJS-TZMCWYRMSA-N 1 0 385.327 2.826 20 0 GFADRO COc1cc(C(F)(F)F)cc(S(=O)(=O)N2CC[C@H]([NH+]3CCCC3)C2)c1 ZINC000570133411 564492604 /nfs/dbraw/zinc/49/26/04/564492604.db2.gz XELMOWFTKANBBC-ZDUSSCGKSA-N 1 0 378.416 2.573 20 0 GFADRO C/C(=C\c1ccccc1OC(F)F)C[NH2+]CCS(=O)(=O)NC(C)(C)C ZINC000516119745 564494172 /nfs/dbraw/zinc/49/41/72/564494172.db2.gz SFBWNJSWYXYWRX-ACCUITESSA-N 1 0 376.469 2.999 20 0 GFADRO COC(=O)c1cc(S(=O)(=O)N[C@@H](C)[C@@H](c2ccccc2)[NH+](C)C)cs1 ZINC000480898637 564494664 /nfs/dbraw/zinc/49/46/64/564494664.db2.gz NNJPASDGSAUBIE-LRDDRELGSA-N 1 0 382.507 2.504 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C(C)C)C2)c(Br)c1 ZINC000454085091 564497191 /nfs/dbraw/zinc/49/71/91/564497191.db2.gz DZBFGCPJNJJSKV-CQSZACIVSA-N 1 0 396.329 2.946 20 0 GFADRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)c1ccc(C(F)(F)F)cn1 ZINC000480983736 564499077 /nfs/dbraw/zinc/49/90/77/564499077.db2.gz BVSRDYOFDARWPX-FRRDWIJNSA-N 1 0 379.448 2.745 20 0 GFADRO CN(CC[N@H+](C)C1CCN(C)CC1)Cc1cc(Br)cc2c1OCC2 ZINC000516512919 564503700 /nfs/dbraw/zinc/50/37/00/564503700.db2.gz IUOYJHMZKMMJIW-UHFFFAOYSA-N 1 0 396.373 2.842 20 0 GFADRO OC[C@H](C[NH2+]C[C@@H](O)Cc1ccccc1)Cc1ccc(Br)cc1 ZINC000570396928 564503782 /nfs/dbraw/zinc/50/37/82/564503782.db2.gz YIMKOAATMRJBQD-HKUYNNGSSA-N 1 0 378.310 2.793 20 0 GFADRO O=C1NC2(CC[NH2+]CC2)C(=O)N1CC/C=C/c1ccc(Br)cc1 ZINC000516648601 564508926 /nfs/dbraw/zinc/50/89/26/564508926.db2.gz CZNYYAFXHZQHAE-HNQUOIGGSA-N 1 0 378.270 2.526 20 0 GFADRO OC[C@@H](C[NH2+]Cc1cn(-c2ccc(Cl)cc2Cl)nn1)c1cccnc1 ZINC000516679650 564509610 /nfs/dbraw/zinc/50/96/10/564509610.db2.gz XUHWYIFFXSMBDW-CYBMUJFWSA-N 1 0 378.263 2.835 20 0 GFADRO CC[C@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1ccc(OC(F)F)c(F)c1 ZINC000570516363 564510050 /nfs/dbraw/zinc/51/00/50/564510050.db2.gz AMJRKCQAPIRJSS-LBPRGKRZSA-N 1 0 380.432 2.970 20 0 GFADRO C[C@@H](CNC(=O)NCC1(c2cccc(Br)c2)CCOCC1)[NH+](C)C ZINC000454447441 564511042 /nfs/dbraw/zinc/51/10/42/564511042.db2.gz YQHYKMGUKSJRDP-AWEZNQCLSA-N 1 0 398.345 2.747 20 0 GFADRO CC[NH+](CC)CCCNC(=O)C1CCN(c2ccncc2Br)CC1 ZINC000547825803 564512203 /nfs/dbraw/zinc/51/22/03/564512203.db2.gz BIGRBEHDTUPQHR-UHFFFAOYSA-N 1 0 397.361 2.909 20 0 GFADRO OCC1([NH2+]CC2CC2)CCN(Cc2nc3ccc(Br)cc3o2)CC1 ZINC000570573164 564512767 /nfs/dbraw/zinc/51/27/67/564512767.db2.gz ICPMVORFCNHPQA-UHFFFAOYSA-N 1 0 394.313 2.917 20 0 GFADRO CO[C@@H](c1ccccc1Cl)[C@H](C)[NH2+]CCNS(=O)(=O)c1ccccc1 ZINC000481493034 564514319 /nfs/dbraw/zinc/51/43/19/564514319.db2.gz JBOFFBXRZSTJGM-KBXCAEBGSA-N 1 0 382.913 2.984 20 0 GFADRO COc1c[nH+]ccc1N1CCN(S(=O)(=O)c2cc(C)c(Cl)s2)CC1 ZINC000481483302 564514425 /nfs/dbraw/zinc/51/44/25/564514425.db2.gz RPJSCDOGJAHDPJ-UHFFFAOYSA-N 1 0 387.914 2.624 20 0 GFADRO C[C@]([NH3+])(C(=O)NC[C@H](CO)Cc1ccccc1)c1ccc(Br)cc1 ZINC000570680254 564516851 /nfs/dbraw/zinc/51/68/51/564516851.db2.gz LEUPRTOIVHMJSR-DNVCBOLYSA-N 1 0 391.309 2.590 20 0 GFADRO O=S(=O)(c1cc(Br)ccc1F)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000570718769 564518025 /nfs/dbraw/zinc/51/80/25/564518025.db2.gz CRKMVJICFAEWSM-GFCCVEGCSA-N 1 0 391.306 2.598 20 0 GFADRO C[C@H](C[C@H](C)[NH3+])NC(=O)N1CCN(C(=O)c2c(Cl)cccc2Cl)CC1 ZINC000516968317 564518838 /nfs/dbraw/zinc/51/88/38/564518838.db2.gz AAQUKJDUASOUIN-NWDGAFQWSA-N 1 0 387.311 2.587 20 0 GFADRO C[N@@H+]1CCCC[C@@H]1CCC(=O)N1CCN(c2ccc(Br)cn2)CC1 ZINC000481621984 564518964 /nfs/dbraw/zinc/51/89/64/564518964.db2.gz DQHPKZZBFOYYOB-MRXNPFEDSA-N 1 0 395.345 2.757 20 0 GFADRO COC[C@]1(CNC(=O)[C@H]2C[C@]23CCc2cc(Br)ccc23)CCC[NH2+]1 ZINC000517125968 564525276 /nfs/dbraw/zinc/52/52/76/564525276.db2.gz BROWXBHZLOWKEW-QRQLOZEOSA-N 1 0 393.325 2.538 20 0 GFADRO O=C(C[NH2+]Cc1ccc(Br)cc1C(F)(F)F)NCC(F)F ZINC000481821266 564525498 /nfs/dbraw/zinc/52/54/98/564525498.db2.gz YHIFTSGKMYYUOU-UHFFFAOYSA-N 1 0 375.135 2.939 20 0 GFADRO COC[C@H]([NH2+]CCNS(=O)(=O)c1ccc(C)cc1)c1cccc(Cl)c1 ZINC000570889070 564526502 /nfs/dbraw/zinc/52/65/02/564526502.db2.gz HDLDRNHUFBCGTQ-SFHVURJKSA-N 1 0 382.913 2.904 20 0 GFADRO O=S1(=O)C[C@@H](C[NH2+][C@@H]2CSCCc3ccccc32)Oc2ccccc21 ZINC000570964681 564529567 /nfs/dbraw/zinc/52/95/67/564529567.db2.gz WYDXTKSRUDXRBO-NVXWUHKLSA-N 1 0 375.515 2.842 20 0 GFADRO Cc1oc(-c2ccc(Cl)c(Cl)c2)nc1C(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000517368743 564531637 /nfs/dbraw/zinc/53/16/37/564531637.db2.gz QRZYRIFSPDJCKS-GFCCVEGCSA-N 1 0 383.279 2.672 20 0 GFADRO O=S1(=O)CCO[C@@H](C[NH2+]Cc2csc3c2cccc3Br)C1 ZINC000517395276 564532631 /nfs/dbraw/zinc/53/26/31/564532631.db2.gz DWXFJOOJXBDMFL-NSHDSACASA-N 1 0 390.324 2.567 20 0 GFADRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)Nc1ccc(Cl)c(S(C)(=O)=O)c1 ZINC000482077342 564533372 /nfs/dbraw/zinc/53/33/72/564533372.db2.gz FCMXHYZIEGRFJN-GXTWGEPZSA-N 1 0 385.917 2.834 20 0 GFADRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)Nc1ccc(Cl)c(S(C)(=O)=O)c1 ZINC000482077348 564533463 /nfs/dbraw/zinc/53/34/63/564533463.db2.gz FCMXHYZIEGRFJN-OCCSQVGLSA-N 1 0 385.917 2.834 20 0 GFADRO CC(C)[N@H+](C)C[C@@H](C)NC(=O)C(=O)Nc1cc(Cl)ccc1Br ZINC000517444840 564534394 /nfs/dbraw/zinc/53/43/94/564534394.db2.gz FCWNXUYDSTWIOZ-SNVBAGLBSA-N 1 0 390.709 2.886 20 0 GFADRO O=C(NC[C@H]1CCC[N@H+]1CCCO)Nc1cc(F)c(Br)c(F)c1 ZINC000455073208 564535243 /nfs/dbraw/zinc/53/52/43/564535243.db2.gz GROXDCFUGLWRDU-LLVKDONJSA-N 1 0 392.244 2.696 20 0 GFADRO O=C(NC[C@@H]1CCC[N@H+]1CCCO)Nc1cc(F)c(Br)c(F)c1 ZINC000455073210 564535472 /nfs/dbraw/zinc/53/54/72/564535472.db2.gz GROXDCFUGLWRDU-NSHDSACASA-N 1 0 392.244 2.696 20 0 GFADRO C[C@@H](C(=O)NCC(=O)Nc1cccc(Br)c1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000482165337 564536538 /nfs/dbraw/zinc/53/65/38/564536538.db2.gz CRXIELMOALTZOQ-XQQFMLRXSA-N 1 0 382.302 2.765 20 0 GFADRO CC[NH+]1C[C@H](C)N(C(=O)c2ccc(F)cc2I)[C@@H](C)C1 ZINC000571121818 564537353 /nfs/dbraw/zinc/53/73/53/564537353.db2.gz TUZTWHJUKQQKAA-QWRGUYRKSA-N 1 0 390.240 2.985 20 0 GFADRO O=S(=O)(NCC[NH2+]CCCc1c(Cl)cccc1Cl)c1cccnc1 ZINC000482242781 564538886 /nfs/dbraw/zinc/53/88/86/564538886.db2.gz GMFJQJJUPADLCC-UHFFFAOYSA-N 1 0 388.320 2.889 20 0 GFADRO CC[N@@H+]1CCCC[C@H]1CNS(=O)(=O)c1cc(Br)ccc1C ZINC000517707432 564540102 /nfs/dbraw/zinc/54/01/02/564540102.db2.gz PWSRJZQOHBYFTF-AWEZNQCLSA-N 1 0 375.332 2.910 20 0 GFADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1nc2ccccc2cc1Br ZINC000571246868 564541979 /nfs/dbraw/zinc/54/19/79/564541979.db2.gz RXHUCFXRPMIXIF-CQSZACIVSA-N 1 0 392.297 2.838 20 0 GFADRO [NH3+]CC[C@H]1CCCCN1C(=O)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000571277332 564543441 /nfs/dbraw/zinc/54/34/41/564543441.db2.gz RMVTYOHHZCWRHU-UKRRQHHQSA-N 1 0 394.313 2.532 20 0 GFADRO CCOC(=O)CC[C@@H](O)C[NH2+]C[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000571277139 564543815 /nfs/dbraw/zinc/54/38/15/564543815.db2.gz MPXQYCIEVCQLPV-RHSMWYFYSA-N 1 0 399.329 2.569 20 0 GFADRO CN1CC[NH+](CCCCNC(=O)C2(c3cccc(Br)c3)CC2)CC1 ZINC000518024343 564544558 /nfs/dbraw/zinc/54/45/58/564544558.db2.gz PQYNQZFUZKQDOH-UHFFFAOYSA-N 1 0 394.357 2.625 20 0 GFADRO O=S(=O)(Cc1cc(Cl)ccc1Br)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000571283447 564544873 /nfs/dbraw/zinc/54/48/73/564544873.db2.gz KXXVEUISUCMAHV-CYBMUJFWSA-N 1 0 393.734 2.759 20 0 GFADRO C[C@@H](NC(=O)CN1CC2CCC1(C[NH3+])CC2)c1ccc(Br)cc1 ZINC000571297523 564544881 /nfs/dbraw/zinc/54/48/81/564544881.db2.gz NSONLCINWFNJAW-WRSVWVKZSA-N 1 0 380.330 2.830 20 0 GFADRO CC1(C)[NH2+]CC[C@@H]1NC(=O)CCC[S@](=O)c1ccc(Br)cc1 ZINC000518080554 564546028 /nfs/dbraw/zinc/54/60/28/564546028.db2.gz NOYLFYAXUBZSRA-FPTDNZKUSA-N 1 0 387.343 2.594 20 0 GFADRO COc1cc(Cl)c(Cl)cc1NC(=O)NC[C@H]1CCC[N@@H+]1CCCO ZINC000455258848 564546092 /nfs/dbraw/zinc/54/60/92/564546092.db2.gz JNONYWIDENZOOZ-LLVKDONJSA-N 1 0 376.284 2.970 20 0 GFADRO C[C@@H]1C[C@@H]([NH2+]CCCN2CCC[C@@H]2C(N)=O)c2cccc(Br)c21 ZINC000482629071 564547415 /nfs/dbraw/zinc/54/74/15/564547415.db2.gz MHGYLIBMQJXZSN-DAXOMENPSA-N 1 0 380.330 2.927 20 0 GFADRO O=C(NC[C@@H]1CCCC[N@H+]1CCO)[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000571394173 564549119 /nfs/dbraw/zinc/54/91/19/564549119.db2.gz XBNYHEFDKNGFBA-YESZJQIVSA-N 1 0 381.314 2.516 20 0 GFADRO Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000518265247 564549506 /nfs/dbraw/zinc/54/95/06/564549506.db2.gz VWKPILYHKLUXER-LLVKDONJSA-N 1 0 378.826 2.997 20 0 GFADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000518298840 564550711 /nfs/dbraw/zinc/55/07/11/564550711.db2.gz YMGKFTUXVKNWHO-UHFFFAOYSA-N 1 0 386.323 2.595 20 0 GFADRO CC[N@H+](C)Cc1cccc(CNC(=O)NCc2nn(C)cc2Br)c1 ZINC000455375921 564550817 /nfs/dbraw/zinc/55/08/17/564550817.db2.gz NCEMGKWHMFWNTL-UHFFFAOYSA-N 1 0 394.317 2.634 20 0 GFADRO COCCN(Cc1cc(Br)cs1)C(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000571557857 564556381 /nfs/dbraw/zinc/55/63/81/564556381.db2.gz LCQOMFUQGFICPK-GHMZBOCLSA-N 1 0 378.336 2.794 20 0 GFADRO O=S(=O)(NC[C@H]1CCCN(Cc2csc(-c3ccco3)n2)C1)C1CC1 ZINC000571597052 564558221 /nfs/dbraw/zinc/55/82/21/564558221.db2.gz CSEOQDRHDSHTGL-CYBMUJFWSA-N 1 0 381.523 2.697 20 0 GFADRO O=C(NCCNc1cc[nH+]cc1)N[C@H]1CSc2ccc(Br)cc21 ZINC000571592697 564558344 /nfs/dbraw/zinc/55/83/44/564558344.db2.gz ZNEWCSBRHOIPIA-AWEZNQCLSA-N 1 0 393.310 2.824 20 0 GFADRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(S(=O)(=O)c2cccc3nsnc32)C1 ZINC000518644052 564558518 /nfs/dbraw/zinc/55/85/18/564558518.db2.gz RIZALKAFNDCOEI-MCIONIFRSA-N 1 0 380.539 2.717 20 0 GFADRO C[C@@H](CNC(=O)C(C)(C)S(=O)(=O)c1ccc(Cl)cc1)C[NH+]1CCCC1 ZINC000483221061 564561027 /nfs/dbraw/zinc/56/10/27/564561027.db2.gz MRKXLWMYFCNANP-AWEZNQCLSA-N 1 0 386.945 2.740 20 0 GFADRO O=C([C@H]1C[N@@H+]2CCN1CCC2)N1CCC[C@H]1c1cccc(Br)c1 ZINC000483248369 564561626 /nfs/dbraw/zinc/56/16/26/564561626.db2.gz VTRSSASZTYRMOG-DLBZAZTESA-N 1 0 378.314 2.503 20 0 GFADRO O=C([C@@H]1C[N@@H+]2CCN1CCC2)N1CCC[C@H]1c1cccc(Br)c1 ZINC000483248371 564561857 /nfs/dbraw/zinc/56/18/57/564561857.db2.gz VTRSSASZTYRMOG-IRXDYDNUSA-N 1 0 378.314 2.503 20 0 GFADRO C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1cccc(Br)c1)C[NH+]1CCN(C)CC1 ZINC000455662784 564563873 /nfs/dbraw/zinc/56/38/73/564563873.db2.gz KXSKRIZTFQVGTD-JCGIZDLHSA-N 1 0 394.357 2.552 20 0 GFADRO CC(C)[N@H+](C)C[C@H](O)CN1C(=O)C[C@](C)(c2ccc(Cl)c(Cl)c2)C1=O ZINC000571776702 564566188 /nfs/dbraw/zinc/56/61/88/564566188.db2.gz JQTLACMQZCDEGJ-SCLBCKFNSA-N 1 0 387.307 2.711 20 0 GFADRO O[C@H](C[NH2+][C@H]1CCN2CCCC[C@@H]12)COc1cc(F)cc(Br)c1 ZINC000518963764 564566437 /nfs/dbraw/zinc/56/64/37/564566437.db2.gz OHRHMGGTZNJJSQ-PVAVHDDUSA-N 1 0 387.293 2.544 20 0 GFADRO C[N@@H+]1CC[C@](O)(CNC(=O)Nc2cc(C(F)(F)F)ccc2Br)C1 ZINC000483404397 564566984 /nfs/dbraw/zinc/56/69/84/564566984.db2.gz SOUOYEIEYIHFLW-ZDUSSCGKSA-N 1 0 396.207 2.656 20 0 GFADRO CCn1cc(Br)cc1C(=O)N1C[C@@H](SC)[C@H]([NH+]2CCCC2)C1 ZINC000483406783 564567068 /nfs/dbraw/zinc/56/70/68/564567068.db2.gz MHTHDMOPSMTAFP-HUUCEWRRSA-N 1 0 386.359 2.922 20 0 GFADRO COC(=O)[C@]1(C)CCN(Cc2c(Br)cncc2Br)C1 ZINC000571815526 564568416 /nfs/dbraw/zinc/56/84/16/564568416.db2.gz NEMHOZIELSIAPC-CYBMUJFWSA-N 1 0 392.091 2.992 20 0 GFADRO C[N@H+](CCC(=O)Nc1ccncc1I)C1CCCCC1 ZINC000548717006 564571090 /nfs/dbraw/zinc/57/10/90/564571090.db2.gz YSSUXPDHBKUYSO-UHFFFAOYSA-N 1 0 387.265 2.701 20 0 GFADRO C[C@H](NC(=O)c1cn(C2CC[NH2+]CC2)nn1)c1ccc(Br)s1 ZINC000571917610 564572443 /nfs/dbraw/zinc/57/24/43/564572443.db2.gz JGIZMZYPOHLPEN-VIFPVBQESA-N 1 0 384.303 2.518 20 0 GFADRO CC[NH+]1CCC(CCNC(=O)c2ccc(I)cn2)CC1 ZINC000455816084 564572515 /nfs/dbraw/zinc/57/25/15/564572515.db2.gz VGZUDANFHYJAMT-UHFFFAOYSA-N 1 0 387.265 2.538 20 0 GFADRO CC[NH+]1CCC(NC(=O)NC[C@@H](C)Oc2ccccc2Br)CC1 ZINC000483697991 564572713 /nfs/dbraw/zinc/57/27/13/564572713.db2.gz FXLLCDDGPYEGOC-CYBMUJFWSA-N 1 0 384.318 3.000 20 0 GFADRO C[N@@H+]1CCC[C@@H](CNC(=O)N[C@@H]2CCOc3c(Br)cccc32)C1 ZINC000548761102 564572979 /nfs/dbraw/zinc/57/29/79/564572979.db2.gz RNKXDHRQPQUBQI-SWLSCSKDSA-N 1 0 382.302 2.914 20 0 GFADRO C[C@H](CNC(=O)NC[C@H](C)[N@H+](C)C1CC1)Oc1ccccc1Br ZINC000483728009 564573782 /nfs/dbraw/zinc/57/37/82/564573782.db2.gz OPBNWXBIICTWSM-QWHCGFSZSA-N 1 0 384.318 2.998 20 0 GFADRO CC(C)[N@H+](C)CCCNC(=O)C(=O)Nc1cc(Cl)ccc1Br ZINC000483841086 564575348 /nfs/dbraw/zinc/57/53/48/564575348.db2.gz VROQBNJCYCXPSA-UHFFFAOYSA-N 1 0 390.709 2.888 20 0 GFADRO C[C@H]([NH3+])C[C@H](C)NC(=O)NCc1c(Br)cncc1Br ZINC000519395714 564576910 /nfs/dbraw/zinc/57/69/10/564576910.db2.gz ACQPMKAQHWOEAB-YUMQZZPRSA-N 1 0 394.111 2.532 20 0 GFADRO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@@H]1CC(=O)N2CCCC[C@H]12 ZINC000548880135 564579653 /nfs/dbraw/zinc/57/96/53/564579653.db2.gz RNGRWWKYKFONOC-DAXOMENPSA-N 1 0 394.313 2.909 20 0 GFADRO CC[NH2+]CCCNC(=O)N[C@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O ZINC000519532806 564579847 /nfs/dbraw/zinc/57/98/47/564579847.db2.gz VFFYESQGSZJRCV-AWEZNQCLSA-N 1 0 387.311 2.788 20 0 GFADRO CCCNC(=O)NC(=O)C[NH2+][C@@H](CCOC)c1ccc(Cl)c(Cl)c1 ZINC000519552738 564580660 /nfs/dbraw/zinc/58/06/60/564580660.db2.gz JTSUEZVGAAXJMY-AWEZNQCLSA-N 1 0 376.284 2.896 20 0 GFADRO C[C@@H](C[S@@](C)=O)NC(=O)Nc1cc(Cl)ccc1OC1CC[NH+](C)CC1 ZINC000455941594 564580855 /nfs/dbraw/zinc/58/08/55/564580855.db2.gz JLYGGXNQLOJMJA-UOXLDJKESA-N 1 0 387.933 2.702 20 0 GFADRO CCC(CC)(CCO)[NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000548938886 564581305 /nfs/dbraw/zinc/58/13/05/564581305.db2.gz MZJQQXFPHXSHOG-CQSZACIVSA-N 1 0 378.282 2.859 20 0 GFADRO Cc1nc2cc(Cl)c(NC(=O)C(=O)N3C[C@H]([NH+](C)C)[C@@H](C)C3)cc2s1 ZINC000484109765 564582312 /nfs/dbraw/zinc/58/23/12/564582312.db2.gz XSOMQTBPFFNSHN-XPTSAGLGSA-N 1 0 380.901 2.605 20 0 GFADRO COc1cc(OC)c(NC(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1Br ZINC000519630660 564584173 /nfs/dbraw/zinc/58/41/73/564584173.db2.gz VSVSCFHHABZQNQ-QJPTWQEYSA-N 1 0 398.301 2.976 20 0 GFADRO Cc1c(Br)cccc1CNC(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000572176530 564584538 /nfs/dbraw/zinc/58/45/38/564584538.db2.gz CTVQHIZJYMUNGM-MRXNPFEDSA-N 1 0 398.345 2.650 20 0 GFADRO CC[NH+](CC)CC[C@H](CO)NC(=O)[C@H](C)Cc1ccc(Br)cc1 ZINC000572185788 564584603 /nfs/dbraw/zinc/58/46/03/564584603.db2.gz NILWOWWXTYCIRU-RHSMWYFYSA-N 1 0 385.346 2.837 20 0 GFADRO [NH3+]C[C@@H](NC(=O)Nc1ccnn1-c1ccc(Br)cn1)C1CCCC1 ZINC000572224611 564585175 /nfs/dbraw/zinc/58/51/75/564585175.db2.gz AEFQYJKCIUMUMK-CYBMUJFWSA-N 1 0 393.289 2.669 20 0 GFADRO C[C@H]([NH2+]Cc1ccc(C(N)=O)nc1)c1ccc(I)cc1 ZINC000484298179 564586067 /nfs/dbraw/zinc/58/60/67/564586067.db2.gz WZTVSNJDKKXLSP-JTQLQIEISA-N 1 0 381.217 2.636 20 0 GFADRO CS[C@@H]1CN([C@@H]2CCN(c3ccc(Cl)cc3)C2=O)C[C@H]1[NH+]1CCCC1 ZINC000484623568 564592654 /nfs/dbraw/zinc/59/26/54/564592654.db2.gz FIRDPZBHARRAMZ-KZNAEPCWSA-N 1 0 379.957 2.957 20 0 GFADRO O[C@@H](C[NH2+]CCOc1ncc(Cl)cc1Cl)COc1ccccc1F ZINC000572393417 564593315 /nfs/dbraw/zinc/59/33/15/564593315.db2.gz JANDKGFOTWQGBA-LBPRGKRZSA-N 1 0 375.227 2.936 20 0 GFADRO [NH3+][C@@H]1CCC[C@H](CNS(=O)(=O)c2cc(Br)c(F)cc2F)C1 ZINC000572403334 564593408 /nfs/dbraw/zinc/59/34/08/564593408.db2.gz DUVHHEIAAQJDMT-DTWKUNHWSA-N 1 0 383.258 2.523 20 0 GFADRO CCO[C@@H]1COCC[C@@H]1[NH2+]CCS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000484646578 564593675 /nfs/dbraw/zinc/59/36/75/564593675.db2.gz XVIMXYGNPRFFDQ-UONOGXRCSA-N 1 0 382.309 2.551 20 0 GFADRO [NH3+]C1(C(=O)N2CCC(C(=O)Nc3ccccc3Br)CC2)CCC1 ZINC000572516221 564597800 /nfs/dbraw/zinc/59/78/00/564597800.db2.gz LTGKZXHAUJVUPQ-UHFFFAOYSA-N 1 0 380.286 2.508 20 0 GFADRO Cc1nc(-c2cccc(Cl)c2)sc1C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000520309758 564601894 /nfs/dbraw/zinc/60/18/94/564601894.db2.gz MVZMIUPDACTUDG-OAHLLOKOSA-N 1 0 378.929 2.748 20 0 GFADRO C[C@@H](C[NH+](C)C)NC(=O)NC[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000484919675 564602282 /nfs/dbraw/zinc/60/22/82/564602282.db2.gz VDOBHYYKQKNXPM-KBPBESRZSA-N 1 0 383.334 2.525 20 0 GFADRO C[C@H]1C[N@H+](C)CCN1c1ccc(Br)cc1NC(=O)C[C@@H]1CCOC1 ZINC000456367106 564603932 /nfs/dbraw/zinc/60/39/32/564603932.db2.gz JIKVZOWQGPBFNK-KBPBESRZSA-N 1 0 396.329 2.955 20 0 GFADRO C[C@@H](NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cccc(Cl)c1Cl ZINC000549792419 564605966 /nfs/dbraw/zinc/60/59/66/564605966.db2.gz CZTHEEWARARSBY-UPJWGTAASA-N 1 0 384.307 2.866 20 0 GFADRO NC(=O)[C@@H]([NH2+][C@@H]1CCO[C@@H](c2ccccn2)C1)c1ccc(Br)cc1 ZINC000572740532 564608431 /nfs/dbraw/zinc/60/84/31/564608431.db2.gz HTFSKKNVVHRRJH-OIISXLGYSA-N 1 0 390.281 2.880 20 0 GFADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)c1cc(Br)cc2ccccc21 ZINC000520717681 564610812 /nfs/dbraw/zinc/61/08/12/564610812.db2.gz KRAKLBAUUGOUJC-CQSZACIVSA-N 1 0 390.325 2.968 20 0 GFADRO Cc1ccc(C[C@H](CO)CNC(=O)[C@@H]2CCC[N@@H+]2C2CC2)cc1Br ZINC000456488112 564611351 /nfs/dbraw/zinc/61/13/51/564611351.db2.gz JDBKUARQDCGQJT-YJBOKZPZSA-N 1 0 395.341 2.652 20 0 GFADRO CCCC(=O)N1CSC[C@H]1C(=O)N1CC[NH2+]C[C@H]1c1cccc(Cl)c1 ZINC000572869628 564613317 /nfs/dbraw/zinc/61/33/17/564613317.db2.gz GGKOEZXGGOAEFJ-HOTGVXAUSA-N 1 0 381.929 2.515 20 0 GFADRO CC(C)COC[C@H](O)C[NH2+][C@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000520799010 564614023 /nfs/dbraw/zinc/61/40/23/564614023.db2.gz DFSPEOLNODEQEP-HIFRSBDPSA-N 1 0 375.296 2.722 20 0 GFADRO OC[C@]1([C@H]([NH2+]Cc2cc3c(cc2Br)OCCO3)C2CC2)CCCO1 ZINC000550140681 564615120 /nfs/dbraw/zinc/61/51/20/564615120.db2.gz JQWLMYFILTZAQP-MSOLQXFVSA-N 1 0 398.297 2.630 20 0 GFADRO CN(C(=O)Nc1ccc(I)cc1F)[C@@H](C[NH3+])C1CC1 ZINC000521069446 564618762 /nfs/dbraw/zinc/61/87/62/564618762.db2.gz JSBPLJZRZYNMGS-LBPRGKRZSA-N 1 0 377.201 2.631 20 0 GFADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)C1(Cc2ccccc2Br)CC1 ZINC000550313626 564620014 /nfs/dbraw/zinc/62/00/14/564620014.db2.gz HZGBJUFROVSFKU-MRXNPFEDSA-N 1 0 395.341 2.999 20 0 GFADRO CO[C@H]1CCN(Cc2cc3c(cc2Br)OCCCO3)[C@H](C[NH3+])C1 ZINC000573121564 564623319 /nfs/dbraw/zinc/62/33/19/564623319.db2.gz KQOGCQIJLHXHGN-KBPBESRZSA-N 1 0 385.302 2.549 20 0 GFADRO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000573112509 564623391 /nfs/dbraw/zinc/62/33/91/564623391.db2.gz CGYYOPLMNLQZFX-CVEARBPZSA-N 1 0 384.307 2.695 20 0 GFADRO CCN(Cc1cccc(Br)c1)C(=O)c1ccn(CC[NH+](C)C)n1 ZINC000573134331 564624187 /nfs/dbraw/zinc/62/41/87/564624187.db2.gz GFXIFLPMPIYWME-UHFFFAOYSA-N 1 0 379.302 2.870 20 0 GFADRO C[C@H](NC(=O)C(=O)NCCSc1ccc(Cl)cc1)C(C)(C)C[NH+](C)C ZINC000550455441 564625194 /nfs/dbraw/zinc/62/51/94/564625194.db2.gz LAZFKFRLSLIRLO-ZDUSSCGKSA-N 1 0 385.961 2.641 20 0 GFADRO Cc1c(Br)cc(C[NH2+][C@H]2CC(=O)N(C)C2)cc1Br ZINC000551188399 564641107 /nfs/dbraw/zinc/64/11/07/564641107.db2.gz LCBHWOABMOEDRG-JTQLQIEISA-N 1 0 376.092 2.840 20 0 GFADRO C[C@H](c1ccc(N2CCCS2(=O)=O)cc1)[N@H+](C)CCOCC(F)(F)F ZINC000485812181 564626396 /nfs/dbraw/zinc/62/63/96/564626396.db2.gz BILPFMLTYNZKLY-CYBMUJFWSA-N 1 0 380.432 2.798 20 0 GFADRO [NH3+][C@H]1CCC[C@H](CNC(=O)c2ccc(-n3cc(Br)cn3)cc2)C1 ZINC000521425813 564626655 /nfs/dbraw/zinc/62/66/55/564626655.db2.gz YHAPOMDHJYNOKN-WFASDCNBSA-N 1 0 377.286 2.882 20 0 GFADRO CC(=O)N1CC[C@H](C[N@@H+](C)Cc2nc3ccc(Br)cc3n2C)C1 ZINC000485834091 564627416 /nfs/dbraw/zinc/62/74/16/564627416.db2.gz MZTVSYPPPFTNKT-CYBMUJFWSA-N 1 0 379.302 2.636 20 0 GFADRO C[C@@H]1CC[N@H+](C)CCN1S(=O)(=O)Cc1ccc(Cl)cc1Br ZINC000485864146 564628018 /nfs/dbraw/zinc/62/80/18/564628018.db2.gz KWDDZGHXZXZKDL-LLVKDONJSA-N 1 0 395.750 2.958 20 0 GFADRO CC[NH+](CC)[C@@H](CNC(=O)C(=O)NCc1sccc1C)c1ccsc1 ZINC000550788999 564631330 /nfs/dbraw/zinc/63/13/30/564631330.db2.gz QKAQPCJGCJMESV-HNNXBMFYSA-N 1 0 379.551 2.934 20 0 GFADRO CC(C)[NH2+]CCCNC(=O)NC[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000573346274 564633783 /nfs/dbraw/zinc/63/37/83/564633783.db2.gz ILSBQPZEPIWNGN-OAHLLOKOSA-N 1 0 397.361 2.963 20 0 GFADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@@H](C)[C@@H](O)Cc1ccccc1 ZINC000550940698 564633945 /nfs/dbraw/zinc/63/39/45/564633945.db2.gz VUANDEIUIAYWTE-KEYYUXOJSA-N 1 0 379.298 2.581 20 0 GFADRO COCCO[C@@H]1COCC[C@@H]1[NH2+][C@H]1CCc2c1c(Br)ccc2F ZINC000486068585 564637549 /nfs/dbraw/zinc/63/75/49/564637549.db2.gz ZACHTHPZQDJKCI-HRCADAONSA-N 1 0 388.277 2.986 20 0 GFADRO CC[NH+]1CCN(CC(C)(C)NC(=O)CCc2ccccc2Br)CC1 ZINC000456900705 564637791 /nfs/dbraw/zinc/63/77/91/564637791.db2.gz OIXSRGPMGCWJOC-UHFFFAOYSA-N 1 0 396.373 2.914 20 0 GFADRO Cn1ncc2ccc(C[NH2+]C[C@H](O)COc3cccc(Br)c3)cc21 ZINC000521864812 564637963 /nfs/dbraw/zinc/63/79/63/564637963.db2.gz GDGVEKGHDRXJAF-INIZCTEOSA-N 1 0 390.281 2.865 20 0 GFADRO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCC1(c2ccc(Br)cc2)CCOCC1 ZINC000486088374 564638399 /nfs/dbraw/zinc/63/83/99/564638399.db2.gz RKZDQUJOFNUKEC-YOEHRIQHSA-N 1 0 395.341 2.811 20 0 GFADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@@H](c1cccs1)N(C)C ZINC000551265969 564644799 /nfs/dbraw/zinc/64/47/99/564644799.db2.gz ROEFINMMMMZKRU-OCCSQVGLSA-N 1 0 384.343 2.953 20 0 GFADRO CC(=O)Nc1ccc(OC[C@@H](O)C[NH2+]Cc2ccc(Br)cc2)cc1 ZINC000573596324 564645158 /nfs/dbraw/zinc/64/51/58/564645158.db2.gz PXXZXTRHZTYMPA-KRWDZBQOSA-N 1 0 393.281 2.937 20 0 GFADRO C[C@H]1CC[N@H+](C)CCN1C(=O)c1c(O)cnc2c(Br)cccc21 ZINC000486245975 564645629 /nfs/dbraw/zinc/64/56/29/564645629.db2.gz SPIZNNNBOYSAJY-NSHDSACASA-N 1 0 378.270 2.869 20 0 GFADRO CCc1ccc(-c2csc(NC(=O)C(=O)NC[C@H]3CCC[N@@H+]3C)n2)s1 ZINC000573615937 564645958 /nfs/dbraw/zinc/64/59/58/564645958.db2.gz SMVZIIJZXXJHPM-LLVKDONJSA-N 1 0 378.523 2.583 20 0 GFADRO COc1ccc([C@H](C)[NH2+]C[C@H]2CCCCN2S(=O)(=O)N(C)C)cc1Cl ZINC000573642840 564647976 /nfs/dbraw/zinc/64/79/76/564647976.db2.gz ZPRARZDKQQWJOR-DZGCQCFKSA-N 1 0 389.949 2.660 20 0 GFADRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(F)cc2I)C1 ZINC000457124287 564648347 /nfs/dbraw/zinc/64/83/47/564648347.db2.gz PJXSYNHNFAJFCJ-LBPRGKRZSA-N 1 0 390.240 2.985 20 0 GFADRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)c2csc(I)c2)C1 ZINC000457127153 564648664 /nfs/dbraw/zinc/64/86/64/564648664.db2.gz RFJLAGFMKWGTNU-NSHDSACASA-N 1 0 378.279 2.907 20 0 GFADRO OC[C@]1([C@H]([NH2+]C[C@@H](O)COc2c(Cl)cccc2Cl)C2CC2)CCCO1 ZINC000573692777 564649791 /nfs/dbraw/zinc/64/97/91/564649791.db2.gz PQZRQZQXQFCZLT-XWIAVFTESA-N 1 0 390.307 2.643 20 0 GFADRO O=C(C[NH2+][C@@H](c1cncc(Br)c1)C1CC1)NC(=O)NC1CCCC1 ZINC000551426357 564649982 /nfs/dbraw/zinc/64/99/82/564649982.db2.gz VOBSUXXUAITUOG-MRXNPFEDSA-N 1 0 395.301 2.653 20 0 GFADRO C[N@H+](CCCCNC(=O)Cc1ccc(I)cc1)C1CC1 ZINC000457163766 564650256 /nfs/dbraw/zinc/65/02/56/564650256.db2.gz HZSRWGOXTGFBMX-UHFFFAOYSA-N 1 0 386.277 2.824 20 0 GFADRO C[N@H+](CCCCNC(=O)c1cccnc1-n1cc(Br)cn1)C1CC1 ZINC000457171083 564650318 /nfs/dbraw/zinc/65/03/18/564650318.db2.gz RRFLXKFSIUJYMW-UHFFFAOYSA-N 1 0 392.301 2.634 20 0 GFADRO C[NH+](C)CC(C)(C)NC(=O)CCC[S@@](=O)c1ccc(Br)cc1 ZINC000457203265 564652069 /nfs/dbraw/zinc/65/20/69/564652069.db2.gz IPHQIKUKCVAZBY-JOCHJYFZSA-N 1 0 389.359 2.793 20 0 GFADRO C[C@@H](CNC(=O)N1CCOc2ccc(Br)cc2C1)[N@H+](C)C1CC1 ZINC000573744741 564652149 /nfs/dbraw/zinc/65/21/49/564652149.db2.gz VYQGKQHYFUJPQM-LBPRGKRZSA-N 1 0 382.302 2.836 20 0 GFADRO Cc1cc(S(=O)(=O)N(C)[C@@H]2CC[N@@H+](C3CC3)C2)c(C)cc1Br ZINC000522628700 564653768 /nfs/dbraw/zinc/65/37/68/564653768.db2.gz YOBVEWOAMHGZPB-CQSZACIVSA-N 1 0 387.343 2.923 20 0 GFADRO O=C(NCC1(c2ccc(Br)cc2Cl)CC1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000573786920 564654522 /nfs/dbraw/zinc/65/45/22/564654522.db2.gz YUGDZVYVHREUOA-YABSGUDNSA-N 1 0 384.705 2.651 20 0 GFADRO COc1ccc(Br)c(C(=O)NCCC[NH2+]C[C@@H]2CCCOC2)c1 ZINC000573871317 564657985 /nfs/dbraw/zinc/65/79/85/564657985.db2.gz WNQVPXVWIGNCQC-ZDUSSCGKSA-N 1 0 385.302 2.594 20 0 GFADRO O=C(COc1c(Cl)cccc1Cl)N1CC[NH+](CC2CCOCC2)CC1 ZINC000522887684 564658528 /nfs/dbraw/zinc/65/85/28/564658528.db2.gz FXBVUJOOEMZDNS-UHFFFAOYSA-N 1 0 387.307 2.943 20 0 GFADRO [NH3+]CC[C@@H]1CCCCN1S(=O)(=O)c1ccc(Cl)cc1Br ZINC000573920632 564659544 /nfs/dbraw/zinc/65/95/44/564659544.db2.gz RBXNUQJGNYDTPE-NSHDSACASA-N 1 0 381.723 2.995 20 0 GFADRO O=C(CCC1CC[NH2+]CC1)NCc1nc(-c2cccc(Br)c2)no1 ZINC000573918584 564660005 /nfs/dbraw/zinc/66/00/05/564660005.db2.gz RZHVGDGVTDDBEY-UHFFFAOYSA-N 1 0 393.285 2.895 20 0 GFADRO [NH3+]C1CCC(OCC(=O)N[C@@H]2CCN(c3ccc(Cl)cc3Cl)C2)CC1 ZINC000573918729 564660044 /nfs/dbraw/zinc/66/00/44/564660044.db2.gz YHSQKTWPMRFGST-SHARSMKWSA-N 1 0 386.323 2.975 20 0 GFADRO O=C(NC[C@@H]1CCC[NH2+]1)Nc1cc(Br)cc(C(=O)N2CCCC2)c1 ZINC000573938041 564660799 /nfs/dbraw/zinc/66/07/99/564660799.db2.gz IRXDVLXSLOTCKF-AWEZNQCLSA-N 1 0 395.301 2.559 20 0 GFADRO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NC1CCN(Cc2ccc(Br)cc2)CC1 ZINC000486677170 564662334 /nfs/dbraw/zinc/66/23/34/564662334.db2.gz OLDINTKANLWNFN-RDTXWAMCSA-N 1 0 394.357 2.727 20 0 GFADRO Cc1cccc(C[C@@H](CO)[NH2+]C[C@H](O)COc2cccc(Br)c2)c1 ZINC000573966878 564662939 /nfs/dbraw/zinc/66/29/39/564662939.db2.gz ODIUVGIQYRNJOE-ROUUACIJSA-N 1 0 394.309 2.690 20 0 GFADRO C[N@@H+]1CC[C@@H]2CCN(S(=O)(=O)c3cc(Br)ccc3Cl)[C@@H]2C1 ZINC000486697252 564663377 /nfs/dbraw/zinc/66/33/77/564663377.db2.gz NQGZAZSYQBMIBD-ZWNOBZJWSA-N 1 0 393.734 2.817 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)c2ccn(-c3ccc(Br)cc3)n2)C[N@@H+]1C1CC1 ZINC000551775582 564663494 /nfs/dbraw/zinc/66/34/94/564663494.db2.gz JUCAIWDOFNWPEX-OCCSQVGLSA-N 1 0 389.297 2.990 20 0 GFADRO C[C@H](NC(=O)NCCC[N@@H+]1CCCC[C@H]1C)c1ncc(Br)cn1 ZINC000457497522 564663571 /nfs/dbraw/zinc/66/35/71/564663571.db2.gz FOBWHWLJNFEEJD-OLZOCXBDSA-N 1 0 384.322 2.864 20 0 GFADRO C[C@H]1C[N@H+](C)C[C@H]1C(=O)Nc1nccn1Cc1ccc(Br)cc1 ZINC000486724854 564664952 /nfs/dbraw/zinc/66/49/52/564664952.db2.gz XAUWJBBJEUQDCT-SWLSCSKDSA-N 1 0 377.286 2.830 20 0 GFADRO C[N@@H+]1C[C@H](NS(=O)(=O)Cc2ccc(Cl)c(F)c2)[C@@H](c2ccccc2)C1 ZINC000574052494 564665998 /nfs/dbraw/zinc/66/59/98/564665998.db2.gz MOMPDBGUKXFFCO-QAPCUYQASA-N 1 0 382.888 2.996 20 0 GFADRO CCNC(=O)C1(C[NH2+]Cc2c(Br)cc(OC)cc2OC)CCC1 ZINC000486853205 564667929 /nfs/dbraw/zinc/66/79/29/564667929.db2.gz HMSSMGKGYBVFLA-UHFFFAOYSA-N 1 0 385.302 2.862 20 0 GFADRO Cc1ccc(Br)c(C)c1C(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000551915748 564668958 /nfs/dbraw/zinc/66/89/58/564668958.db2.gz LTHHIWQFAIXLKL-UHFFFAOYSA-N 1 0 383.330 2.985 20 0 GFADRO C[C@H](NC(=O)N[C@@H]1CCC[N@H+](CCCO)C1)c1cccc(Br)c1 ZINC000457678660 564669336 /nfs/dbraw/zinc/66/93/36/564669336.db2.gz OPOWHWVJJWELAC-XJKSGUPXSA-N 1 0 384.318 2.656 20 0 GFADRO C[NH+]1CCC(n2ccc(NC(=O)Cc3cscc3Br)n2)CC1 ZINC000551956338 564670630 /nfs/dbraw/zinc/67/06/30/564670630.db2.gz HWPPJWSEPPTVRN-UHFFFAOYSA-N 1 0 383.315 3.155 20 0 GFADRO O=C(NCCCCn1cc(Br)cn1)C1C[NH+](C2CCCCC2)C1 ZINC000457756995 564672088 /nfs/dbraw/zinc/67/20/88/564672088.db2.gz DCFGSWYQFRDMIK-UHFFFAOYSA-N 1 0 383.334 2.807 20 0 GFADRO COc1cc(Br)ccc1C(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2 ZINC000574444083 564673117 /nfs/dbraw/zinc/67/31/17/564673117.db2.gz UTDQTTKVLYAFEP-GFCCVEGCSA-N 1 0 376.254 2.921 20 0 GFADRO OCC[C@H]([NH2+]C[C@@H](O)COC[C@@H]1CCCO1)c1ccc(Cl)c(Cl)c1 ZINC000552006367 564673155 /nfs/dbraw/zinc/67/31/55/564673155.db2.gz LXCLPGYEIYBQAG-KEYYUXOJSA-N 1 0 378.296 2.563 20 0 GFADRO CC(C)[N@H+](C)CCNC(=O)N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000487029436 564673280 /nfs/dbraw/zinc/67/32/80/564673280.db2.gz HKXWTFUGUWJBGM-OAHLLOKOSA-N 1 0 387.311 2.738 20 0 GFADRO COc1c(Cl)cc(NC(=O)C(=O)NCC[N@@H+]2CCCC[C@H]2C)cc1Cl ZINC000523917527 564674060 /nfs/dbraw/zinc/67/40/60/564674060.db2.gz VCNYGGIVXNPEGR-LLVKDONJSA-N 1 0 388.295 2.931 20 0 GFADRO CC(=O)Nc1nc(C(=O)NC[C@@H](C[NH+](C)C)c2ccc(Cl)cc2)cs1 ZINC000552027527 564674355 /nfs/dbraw/zinc/67/43/55/564674355.db2.gz OSNVCGUVLNDLNY-ZDUSSCGKSA-N 1 0 380.901 2.830 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C(=O)N1CC[C@@H]([NH3+])C[C@@H]1C ZINC000574462803 564675343 /nfs/dbraw/zinc/67/53/43/564675343.db2.gz MAVMRXGFGRDFDJ-SMDDNHRTSA-N 1 0 377.286 2.895 20 0 GFADRO O=C(CNCc1cc(F)ccc1Br)NCC[NH+]1CCCCCC1 ZINC000552064677 564675687 /nfs/dbraw/zinc/67/56/87/564675687.db2.gz HNVZEPVEWUVKES-UHFFFAOYSA-N 1 0 386.309 2.670 20 0 GFADRO O=C(C1=Cc2cc(Br)ccc2OC1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000524040906 564676134 /nfs/dbraw/zinc/67/61/34/564676134.db2.gz ZTDQOXLYLUYAOM-MRXNPFEDSA-N 1 0 377.282 2.922 20 0 GFADRO Cc1ccc(Br)cc1S(=O)(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000487123063 564676287 /nfs/dbraw/zinc/67/62/87/564676287.db2.gz VYNMIRKJTZHWNA-KGLIPLIRSA-N 1 0 375.332 2.909 20 0 GFADRO COCC1([NH2+][C@H](C)CC(=O)Nc2cccc(Br)c2)CCOCC1 ZINC000552075338 564676556 /nfs/dbraw/zinc/67/65/56/564676556.db2.gz UIJTYNSBKGYVLE-CYBMUJFWSA-N 1 0 385.302 2.951 20 0 GFADRO O=C(NCCNc1ncc(Cl)cc1Cl)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000574546726 564678589 /nfs/dbraw/zinc/67/85/89/564678589.db2.gz OCOYPBDLDFIFMH-CYBMUJFWSA-N 1 0 386.327 2.831 20 0 GFADRO CCCN(CC[NH+]1CCCC1)Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000552177723 564679971 /nfs/dbraw/zinc/67/99/71/564679971.db2.gz LDDYKHMLRGZQEZ-UHFFFAOYSA-N 1 0 393.329 2.765 20 0 GFADRO [NH3+]C[C@@H]1CC[C@H](NC(=O)[C@@H](c2ccc(Br)cc2)N2CCCC2)C1 ZINC000574571306 564680040 /nfs/dbraw/zinc/68/00/40/564680040.db2.gz DTQVHXKCQCZBNI-XOKHGSTOSA-N 1 0 380.330 2.830 20 0 GFADRO O=C(N[C@@H]1C[NH2+]CCC1(F)F)c1ccc(Br)cc1Br ZINC000574571972 564680068 /nfs/dbraw/zinc/68/00/68/564680068.db2.gz RYOZZSVACACUTM-SNVBAGLBSA-N 1 0 398.045 2.939 20 0 GFADRO O=c1cc(C[N@H+]2CC[C@H](COC(F)F)C2)nc2ccc(Br)cn12 ZINC000552189133 564680816 /nfs/dbraw/zinc/68/08/16/564680816.db2.gz QVYRZXZYLHOXJF-JTQLQIEISA-N 1 0 388.212 2.518 20 0 GFADRO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)C1=Cc2cc(Br)ccc2OC1 ZINC000524577545 564683224 /nfs/dbraw/zinc/68/32/24/564683224.db2.gz PEAQHGXWKBVQHE-GFCCVEGCSA-N 1 0 377.282 2.825 20 0 GFADRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)NCc1c(Cl)cccc1Cl ZINC000574657184 564683595 /nfs/dbraw/zinc/68/35/95/564683595.db2.gz BVJDUUUINSAINB-ZDUSSCGKSA-N 1 0 386.323 2.990 20 0 GFADRO O=C(N[C@H](c1ccc(Br)cc1)C1CCC1)N1CCOC2(C[NH2+]C2)C1 ZINC000574665747 564683799 /nfs/dbraw/zinc/68/37/99/564683799.db2.gz VOQYTTICLGLHAG-INIZCTEOSA-N 1 0 394.313 2.674 20 0 GFADRO C[C@H]1C[C@H](N(C)C(=O)c2cc(=O)c3cc(Br)ccc3[nH]2)CC[N@@H+]1C ZINC000524655144 564684038 /nfs/dbraw/zinc/68/40/38/564684038.db2.gz XQSMJBHOAPVROF-WCQYABFASA-N 1 0 392.297 2.845 20 0 GFADRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)N(CCO)Cc1cccc(Br)c1 ZINC000487397731 564686428 /nfs/dbraw/zinc/68/64/28/564686428.db2.gz OVBPYBULORYUDE-DLBZAZTESA-N 1 0 396.329 2.580 20 0 GFADRO CC[C@H]1[NH2+]CC[C@@H]1C(=O)N(CCOC)Cc1sccc1Br ZINC000574754543 564687920 /nfs/dbraw/zinc/68/79/20/564687920.db2.gz DYHIONAYIIBLDE-WCQYABFASA-N 1 0 375.332 2.874 20 0 GFADRO C[C@@H]1CC[N@H+](CCNS(=O)(=O)c2ccc(Br)cc2Cl)C1 ZINC000524790950 564688247 /nfs/dbraw/zinc/68/82/47/564688247.db2.gz AIYLHIWBPIPMLH-SNVBAGLBSA-N 1 0 381.723 2.723 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2ccc(Br)cc2)C[C@@H]1C ZINC000524869977 564689051 /nfs/dbraw/zinc/68/90/51/564689051.db2.gz HRSLPGJUJSPFPZ-JSGCOSHPSA-N 1 0 375.332 2.942 20 0 GFADRO CC(C)N(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CCSc2ccc(Cl)cc21 ZINC000552476516 564692213 /nfs/dbraw/zinc/69/22/13/564692213.db2.gz YCPFTDNIRGJHMN-OAHLLOKOSA-N 1 0 383.945 2.792 20 0 GFADRO C[N@@H+]1CCC[C@H](CCNC(=O)c2ccc(F)cc2I)C1 ZINC000458168335 564692699 /nfs/dbraw/zinc/69/26/99/564692699.db2.gz NLDGNHNMGLWQEX-LLVKDONJSA-N 1 0 390.240 2.892 20 0 GFADRO C[C@H]1C[N@H+](CCC[NH2+]C[C@H](O)COc2c(Cl)cccc2Cl)CCCO1 ZINC000575252866 564695825 /nfs/dbraw/zinc/69/58/25/564695825.db2.gz PUXPTCOIQJBNLU-GJZGRUSLSA-N 1 0 391.339 2.824 20 0 GFADRO Cn1cc(Br)c(C(=O)Nc2ccc(OCC[NH+](C)C)c(F)c2)n1 ZINC000458269382 564696424 /nfs/dbraw/zinc/69/64/24/564696424.db2.gz GRADVQWNMQOSDU-UHFFFAOYSA-N 1 0 385.237 2.514 20 0 GFADRO O=S(=O)(c1cccc(OC(F)(F)F)c1F)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000575419166 564698493 /nfs/dbraw/zinc/69/84/93/564698493.db2.gz VYKLKKSPXPWEAB-LLVKDONJSA-N 1 0 382.379 2.583 20 0 GFADRO CN(C(=O)[C@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1)[C@H]1CCC[N@H+](C)C1 ZINC000525522360 564702347 /nfs/dbraw/zinc/70/23/47/564702347.db2.gz CEIMAUPROYXTSK-WFASDCNBSA-N 1 0 384.307 2.899 20 0 GFADRO CN(C(=O)[C@@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1)[C@@H]1CCC[N@H+](C)C1 ZINC000525522358 564703001 /nfs/dbraw/zinc/70/30/01/564703001.db2.gz CEIMAUPROYXTSK-IUODEOHRSA-N 1 0 384.307 2.899 20 0 GFADRO C[C@H]1CSCC[N@H+](CC(=O)NCCOc2ccc(C(F)(F)F)cc2)C1 ZINC000488148046 564705194 /nfs/dbraw/zinc/70/51/94/564705194.db2.gz JUFKRQGEGOMXCH-CYBMUJFWSA-N 1 0 376.444 2.885 20 0 GFADRO C[C@@H](Cc1ccccc1Br)NC(=O)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000458553048 564705962 /nfs/dbraw/zinc/70/59/62/564705962.db2.gz WZVKOQPGIWSDBM-GOEBONIOSA-N 1 0 398.345 2.526 20 0 GFADRO CCSCC[C@@H](C)NC(=O)C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000576236546 564709100 /nfs/dbraw/zinc/70/91/00/564709100.db2.gz RJUBEWDAKWCQHR-HUUCEWRRSA-N 1 0 383.583 2.649 20 0 GFADRO O=C(N[C@@H]1C[C@@H]1c1cccc(Br)c1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000525816351 564709367 /nfs/dbraw/zinc/70/93/67/564709367.db2.gz XAUPYRHFGVLMGG-GVDBMIGSSA-N 1 0 376.298 2.961 20 0 GFADRO CCOc1c(Cl)cc(NC(=O)C(=O)NC[C@H]2CCC[N@H+](C)C2)cc1Cl ZINC000525838328 564710472 /nfs/dbraw/zinc/71/04/72/564710472.db2.gz VFNQKEWFPVQDJU-LLVKDONJSA-N 1 0 388.295 2.789 20 0 GFADRO C[C@@H]1[C@H](NC(=O)NCc2nc3c(cccc3Br)[nH]2)CCC[N@@H+]1C ZINC000458663207 564710653 /nfs/dbraw/zinc/71/06/53/564710653.db2.gz SRTXCMNZBZHKAY-ZYHUDNBSSA-N 1 0 380.290 2.607 20 0 GFADRO COCCNS(=O)(=O)c1ccc(C[NH2+][C@H]2CS[C@H](C(C)(C)C)C2)cc1 ZINC000488429827 564712206 /nfs/dbraw/zinc/71/22/06/564712206.db2.gz DGSLCNHCLIDYRC-WBVHZDCISA-N 1 0 386.583 2.621 20 0 GFADRO C[C@@H]1C[C@H]1C[NH2+][C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 ZINC000488533244 564714051 /nfs/dbraw/zinc/71/40/51/564714051.db2.gz PBENUVQGPOHAFN-VNHYZAJKSA-N 1 0 387.343 2.848 20 0 GFADRO COCC[N@H+](C)CCNC(=O)N[C@H]1c2cccc(Br)c2CC1(C)C ZINC000488691286 564717174 /nfs/dbraw/zinc/71/71/74/564717174.db2.gz YTTSGMLVGXDOMU-INIZCTEOSA-N 1 0 398.345 2.950 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)NCC2([NH+](C)C)CCC2)c(Br)c1 ZINC000526088946 564719999 /nfs/dbraw/zinc/71/99/99/564719999.db2.gz YWVHOIINVFTQEB-UHFFFAOYSA-N 1 0 382.302 2.605 20 0 GFADRO CC[C@](NC(=O)C[N@H+](C)[C@@H]1CCSC1)(C(=O)OC)c1ccc(Cl)cc1 ZINC000553472378 564721113 /nfs/dbraw/zinc/72/11/13/564721113.db2.gz AJXGNOYMELNWIU-CRAIPNDOSA-N 1 0 384.929 2.672 20 0 GFADRO O=C(CC[NH2+]C[C@@H](O)Cc1ccccc1)Nc1cccc(Br)c1 ZINC000576943274 564721493 /nfs/dbraw/zinc/72/14/93/564721493.db2.gz DGPVLGBTNPFOIC-KRWDZBQOSA-N 1 0 377.282 2.971 20 0 GFADRO C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000488854603 564722553 /nfs/dbraw/zinc/72/25/53/564722553.db2.gz NHZDKBZPYZZCHY-UONOGXRCSA-N 1 0 387.307 2.941 20 0 GFADRO CCOC(=O)[C@H](C)[C@H](C)[NH2+]Cc1cn(-c2ccccc2Br)nn1 ZINC000576992225 564722697 /nfs/dbraw/zinc/72/26/97/564722697.db2.gz XEIWFILMOKDJJX-NEPJUHHUSA-N 1 0 381.274 2.707 20 0 GFADRO CCOC(=O)[C@@H](C)[C@@H](C)[NH2+]Cc1cn(-c2ccccc2Br)nn1 ZINC000576992230 564722827 /nfs/dbraw/zinc/72/28/27/564722827.db2.gz XEIWFILMOKDJJX-NWDGAFQWSA-N 1 0 381.274 2.707 20 0 GFADRO COc1c(Br)cc(Cl)cc1NC(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000577044692 564723586 /nfs/dbraw/zinc/72/35/86/564723586.db2.gz NQYGTMPRTCWYSP-SNVBAGLBSA-N 1 0 392.681 2.611 20 0 GFADRO O=C(C[NH2+]C[C@@H]1CCCO1)N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000577097855 564724756 /nfs/dbraw/zinc/72/47/56/564724756.db2.gz SVTSEEZRMITLFI-NEPJUHHUSA-N 1 0 377.432 2.637 20 0 GFADRO Cc1nc(CNC(=O)N2CCC[C@H]([NH+]3CCCC3)C2)sc1Br ZINC000458933987 564724865 /nfs/dbraw/zinc/72/48/65/564724865.db2.gz SOWJRBHPJDWBPI-LBPRGKRZSA-N 1 0 387.347 2.984 20 0 GFADRO C[C@@H]1CC[S@](=O)CCN1C(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000577170199 564727507 /nfs/dbraw/zinc/72/75/07/564727507.db2.gz WLTJONPJCCRRFH-OTHJDCTCSA-N 1 0 383.583 2.684 20 0 GFADRO CC(C)(C)S(=O)(=O)N1CCC([NH2+]Cc2cnc([C@H]3CCCO3)s2)CC1 ZINC000577212841 564728905 /nfs/dbraw/zinc/72/89/05/564728905.db2.gz PWAINCJSFVQEQF-OAHLLOKOSA-N 1 0 387.571 2.677 20 0 GFADRO C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)NC[C@H](C)[NH+](C)C)CC1 ZINC000459049120 564729950 /nfs/dbraw/zinc/72/99/50/564729950.db2.gz YONZOVQSBKSCSS-LSDHHAIUSA-N 1 0 397.361 2.787 20 0 GFADRO O=C(Cc1ccc(I)cc1)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000489141649 564731317 /nfs/dbraw/zinc/73/13/17/564731317.db2.gz PALKGGLTECUUST-LSDHHAIUSA-N 1 0 384.261 2.577 20 0 GFADRO COCC[N@@H+]1CC[C@H](NC(=O)N2CC[C@H](Sc3cccc(Cl)c3)C2)C1 ZINC000489164310 564731731 /nfs/dbraw/zinc/73/17/31/564731731.db2.gz CMAUMQNPRGJGCB-RDJZCZTQSA-N 1 0 383.945 2.937 20 0 GFADRO O=C(N[C@@H](c1cncc(Br)c1)C1CC1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000577304191 564733692 /nfs/dbraw/zinc/73/36/92/564733692.db2.gz XPXCMQHLMVHXOA-GOEBONIOSA-N 1 0 379.302 2.831 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)C[N@@H+]1C[C@H](O)C[C@H]1[C@@H]1CCCOC1 ZINC000577340894 564734992 /nfs/dbraw/zinc/73/49/92/564734992.db2.gz HXWDGMHFZUZOMB-UNEWFSDZSA-N 1 0 397.313 2.558 20 0 GFADRO Cn1cc2c(n1)CCC[C@H]2[NH2+]C[C@@H](O)COc1ccccc1Br ZINC000527316348 564738727 /nfs/dbraw/zinc/73/87/27/564738727.db2.gz GRPWCSAMMRXGLH-IUODEOHRSA-N 1 0 380.286 2.590 20 0 GFADRO N[C@](C(=O)NC[C@H]1CC[C@H](C[NH3+])CC1)(c1cccc(Cl)c1)C(F)(F)F ZINC000578069224 564740046 /nfs/dbraw/zinc/74/00/46/564740046.db2.gz VPHAKNRFCOVNPS-MKBNYLNASA-N 1 0 377.838 2.938 20 0 GFADRO CCCNC(=O)CN(CCC)Cc1ccc(C(=O)OC)cc1Br ZINC000578149104 564741274 /nfs/dbraw/zinc/74/12/74/564741274.db2.gz HIQCVHCPAOJTQV-UHFFFAOYSA-N 1 0 385.302 2.974 20 0 GFADRO COCCNS(=O)(=O)c1ccc(C[NH2+]CCc2ccc(Cl)cc2)cc1 ZINC000459383223 564742641 /nfs/dbraw/zinc/74/26/41/564742641.db2.gz GXOSWWHJJZIHTL-UHFFFAOYSA-N 1 0 382.913 2.597 20 0 GFADRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2S(=O)(=O)Cc2cccc(Br)c2)C1 ZINC000553872691 564742678 /nfs/dbraw/zinc/74/26/78/564742678.db2.gz ZXSYHDORCJWKKL-GOEBONIOSA-N 1 0 387.343 2.695 20 0 GFADRO CCOc1cc(C[NH2+][C@@H]2CC(=O)N([C@@H]3C[C@@H]3C)C2)cc(Br)c1O ZINC000459409455 564743727 /nfs/dbraw/zinc/74/37/27/564743727.db2.gz BHCOPZCTXNLIEH-ZKYQVNSYSA-N 1 0 383.286 2.652 20 0 GFADRO O=c1cc(CN(CCO)Cc2ccc(Br)s2)nc(C2CC2)[nH]1 ZINC000459430967 564745182 /nfs/dbraw/zinc/74/51/82/564745182.db2.gz YEUGWCPHZIFZBN-UHFFFAOYSA-N 1 0 384.299 2.878 20 0 GFADRO CC(C)C[C@H]([NH3+])C(=O)NCc1ccc(I)c(Cl)c1 ZINC000579351543 564746855 /nfs/dbraw/zinc/74/68/55/564746855.db2.gz ZFKVPBDIXWNQSR-LBPRGKRZSA-N 1 0 380.657 2.934 20 0 GFADRO CCn1nncc1C[N@@H+]1CC[C@H](Cc2cccc(I)c2)C1 ZINC000459489614 564746979 /nfs/dbraw/zinc/74/69/79/564746979.db2.gz REIMJEFWKHDHAA-CQSZACIVSA-N 1 0 396.276 2.967 20 0 GFADRO [NH3+]CC1CCN(S(=O)(=O)Cc2ccc(Cl)cc2Br)CC1 ZINC000579353160 564747491 /nfs/dbraw/zinc/74/74/91/564747491.db2.gz UNNPNXAWBIUFKP-UHFFFAOYSA-N 1 0 381.723 2.603 20 0 GFADRO COCCN(Cc1ccc(Br)s1)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000579332845 564747511 /nfs/dbraw/zinc/74/75/11/564747511.db2.gz CSSZMSRADIULMQ-LBPRGKRZSA-N 1 0 390.347 2.811 20 0 GFADRO O[C@H](C[NH2+][C@@H]1CC[C@@H]1C1CC1)COc1ccc(I)cc1 ZINC000579628530 564749101 /nfs/dbraw/zinc/74/91/01/564749101.db2.gz VWIHAYRTOQJWNO-FVQBIDKESA-N 1 0 387.261 2.809 20 0 GFADRO OC[C@@H](C[NH2+]Cc1cn2cccnc2n1)Cc1ccc(F)c(Br)c1 ZINC000459577420 564751265 /nfs/dbraw/zinc/75/12/65/564751265.db2.gz VSDAFHXUOLYYMY-CYBMUJFWSA-N 1 0 393.260 2.572 20 0 GFADRO C[C@@H](NC(=O)N[C@H]1CCC[NH2+]C1)c1nc(-c2ccc(Br)cc2)no1 ZINC000579815602 564752080 /nfs/dbraw/zinc/75/20/80/564752080.db2.gz PJQZXGLQIOXHGQ-MFKMUULPSA-N 1 0 394.273 2.611 20 0 GFADRO Cc1c(Br)cccc1CNC(=O)[C@]1([NH3+])[C@@H]2CCCO[C@H]2C1(C)C ZINC000579977831 564754320 /nfs/dbraw/zinc/75/43/20/564754320.db2.gz KJNWBSCLSJDQHL-DDUZABMNSA-N 1 0 381.314 2.906 20 0 GFADRO O=S1(=O)CCC[C@H]1C[NH2+]Cc1c[nH]nc1-c1ccc(Br)s1 ZINC000527678306 564755219 /nfs/dbraw/zinc/75/52/19/564755219.db2.gz YUGIFOSJUCTLMZ-JTQLQIEISA-N 1 0 390.328 2.568 20 0 GFADRO C[C@H](CC[NH+]1CCN(C)CC1)NCc1ncc(Cl)cc1Br ZINC000527692981 564756477 /nfs/dbraw/zinc/75/64/77/564756477.db2.gz QMNLKJYQBYUJKH-GFCCVEGCSA-N 1 0 375.742 2.613 20 0 GFADRO CC(=O)NCC[C@H]1CCC[N@H+](C[C@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000554291996 564756919 /nfs/dbraw/zinc/75/69/19/564756919.db2.gz LRFXDNZYFZMEGU-ZBFHGGJFSA-N 1 0 389.323 2.971 20 0 GFADRO C[C@@H](N1CCN(C(=O)NC[C@H](c2ccsc2)[NH+](C)C)CC1)C(F)(F)F ZINC000489906184 564757180 /nfs/dbraw/zinc/75/71/80/564757180.db2.gz BNPOQBQUCWKOAE-TZMCWYRMSA-N 1 0 378.464 2.629 20 0 GFADRO CS(=O)(=O)N[C@@H]1CCCC[C@H]1C[NH2+]Cc1ccsc1Br ZINC000527707754 564757427 /nfs/dbraw/zinc/75/74/27/564757427.db2.gz NEICUUMXLCTUTA-CMPLNLGQSA-N 1 0 381.361 2.708 20 0 GFADRO [NH3+]CC[C@@H]1CCCCN1CC(=O)Nc1c(F)cc(F)cc1Br ZINC000489911322 564757644 /nfs/dbraw/zinc/75/76/44/564757644.db2.gz RQPKCXBEQOEDRC-NSHDSACASA-N 1 0 376.245 2.869 20 0 GFADRO CC[NH+]1CCN(CC(C)(C)NS(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000554344341 564757780 /nfs/dbraw/zinc/75/77/80/564757780.db2.gz MKIXPSKNJCKROR-UHFFFAOYSA-N 1 0 394.368 2.688 20 0 GFADRO COC(=O)C(C)(C)CC[NH2+]C[C@H](CO)Cc1cc(F)cc(Br)c1 ZINC000459698802 564757820 /nfs/dbraw/zinc/75/78/20/564757820.db2.gz LOSQKGOPHGTWJQ-CYBMUJFWSA-N 1 0 390.293 2.918 20 0 GFADRO c1csc(-c2ncc(C[NH2+]CC3(N4CCOCC4)CCOCC3)s2)c1 ZINC000459707433 564757904 /nfs/dbraw/zinc/75/79/04/564757904.db2.gz JFSUAGHMNWWTMR-UHFFFAOYSA-N 1 0 379.551 2.843 20 0 GFADRO COc1ccc(C[NH2+]C[C@H](CO)Cc2cc(F)cc(Br)c2)cn1 ZINC000459706109 564758015 /nfs/dbraw/zinc/75/80/15/564758015.db2.gz RMSQBRLLZGMZJZ-CQSZACIVSA-N 1 0 383.261 2.933 20 0 GFADRO O[C@@H](C[NH2+]Cc1ccc(OC(F)(F)F)c(Br)c1)[C@@H]1CCCO1 ZINC000527753988 564759659 /nfs/dbraw/zinc/75/96/59/564759659.db2.gz CCNLPKQGXIIFTK-AAEUAGOBSA-N 1 0 384.192 2.977 20 0 GFADRO COCCNC(=O)C1([NH2+]Cc2ccc(Br)cc2C(F)(F)F)CC1 ZINC000459748432 564760147 /nfs/dbraw/zinc/76/01/47/564760147.db2.gz DOGUNQKVWILHHX-UHFFFAOYSA-N 1 0 395.219 2.853 20 0 GFADRO C[C@@H](CNS(=O)(=O)c1cc(Br)sc1Cl)C[NH+](C)C ZINC000490048311 564761254 /nfs/dbraw/zinc/76/12/54/564761254.db2.gz LFAXPGKHMUIRIX-ZETCQYMHSA-N 1 0 375.741 2.640 20 0 GFADRO CCOC(=O)c1cc2cc(S(=O)(=O)NC[C@@H](C)C[NH+](C)C)ccc2s1 ZINC000490055585 564761602 /nfs/dbraw/zinc/76/16/02/564761602.db2.gz AMDOKBXJKFDEDQ-GFCCVEGCSA-N 1 0 384.523 2.554 20 0 GFADRO COc1cc(Br)c(S(=O)(=O)NC[C@@H](C)C[NH+](C)C)cc1Cl ZINC000490052295 564761608 /nfs/dbraw/zinc/76/16/08/564761608.db2.gz FURLHRGXBWYYOK-SECBINFHSA-N 1 0 399.738 2.587 20 0 GFADRO CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000459852443 564762782 /nfs/dbraw/zinc/76/27/82/564762782.db2.gz BLBJEFCMJODZKB-UHFFFAOYSA-N 1 0 383.945 2.837 20 0 GFADRO C[C@H](CNC(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)Oc1cccc(Br)c1 ZINC000580532262 564762949 /nfs/dbraw/zinc/76/29/49/564762949.db2.gz CXMUKRBGAWNZTN-HLPPOEQASA-N 1 0 396.329 2.904 20 0 GFADRO C[C@@H]([NH2+]CCC(=O)N1CCN(C)CC1)c1cc(F)c(Br)cc1F ZINC000527858911 564763562 /nfs/dbraw/zinc/76/35/62/564763562.db2.gz NASXFWUDMOBVSI-LLVKDONJSA-N 1 0 390.272 2.542 20 0 GFADRO O=S(=O)(c1ccc(C(F)(F)F)c(F)c1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000580563740 564764930 /nfs/dbraw/zinc/76/49/30/564764930.db2.gz AUALLNQOJLTDQG-GFCCVEGCSA-N 1 0 380.407 2.855 20 0 GFADRO CN(C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000554559875 564765415 /nfs/dbraw/zinc/76/54/15/564765415.db2.gz GHZIQWZUSRROKP-LQAWEQHXSA-N 1 0 384.307 2.830 20 0 GFADRO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@@]1(C)COc2ccccc2O1 ZINC000527928258 564765515 /nfs/dbraw/zinc/76/55/15/564765515.db2.gz IMBASVOTMJCHNC-UGSOOPFHSA-N 1 0 393.281 2.819 20 0 GFADRO Cc1cc(NC(=O)C[NH2+][C@@H](c2cncc(Br)c2)C2CC2)n(C)n1 ZINC000580587079 564765900 /nfs/dbraw/zinc/76/59/00/564765900.db2.gz AEAFEKBSXBWLDN-MRXNPFEDSA-N 1 0 378.274 2.565 20 0 GFADRO Cc1ccc(I)cc1C(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000490238378 564766316 /nfs/dbraw/zinc/76/63/16/564766316.db2.gz DEOHZLONXFURDR-SWLSCSKDSA-N 1 0 384.261 2.766 20 0 GFADRO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]Cc1ccc2cn(C)nc2c1 ZINC000527963207 564766493 /nfs/dbraw/zinc/76/64/93/564766493.db2.gz QKDAATNFJGYVAW-LBPRGKRZSA-N 1 0 375.270 2.676 20 0 GFADRO O=S(=O)(c1cc(Cl)ccc1OCCC1CC1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000490439163 564771629 /nfs/dbraw/zinc/77/16/29/564771629.db2.gz MJECVUXOOJXWJN-INIZCTEOSA-N 1 0 384.929 2.988 20 0 GFADRO O=S(=O)(c1cc(Cl)ccc1OCCC1CC1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000490439173 564771652 /nfs/dbraw/zinc/77/16/52/564771652.db2.gz MJECVUXOOJXWJN-MRXNPFEDSA-N 1 0 384.929 2.988 20 0 GFADRO CS[C@@H]1CN(CC(=O)Nc2ccc(Br)cc2)C[C@@H]1[NH+]1CCCC1 ZINC000460348150 564773901 /nfs/dbraw/zinc/77/39/01/564773901.db2.gz OKPAKQZCWMVMHO-JKSUJKDBSA-N 1 0 398.370 2.899 20 0 GFADRO CS[C@@H]1CN(Cc2csc(N(C(C)=O)C3CC3)n2)C[C@@H]1[NH+]1CCCC1 ZINC000460359065 564774772 /nfs/dbraw/zinc/77/47/72/564774772.db2.gz ZCPZBEWQYPNFHG-DLBZAZTESA-N 1 0 380.583 2.670 20 0 GFADRO CS[C@@H]1CN([C@H](C)C(=O)NCc2ccccc2Cl)C[C@H]1[NH+]1CCCC1 ZINC000460354323 564775263 /nfs/dbraw/zinc/77/52/63/564775263.db2.gz SNOZSLOOMOVZRX-ZTFGCOKTSA-N 1 0 381.973 2.856 20 0 GFADRO COC(=O)c1cc(C[N@H+](C)[C@@H](CO)c2cccc(Br)c2)cn1C ZINC000554856130 564775737 /nfs/dbraw/zinc/77/57/37/564775737.db2.gz JUBZEVDBCBMWHD-INIZCTEOSA-N 1 0 381.270 2.740 20 0 GFADRO O=C(NCCc1ccccc1Br)[C@@H]1COCCN1C1CCCC1 ZINC000490640021 564779007 /nfs/dbraw/zinc/77/90/07/564779007.db2.gz LCWZSQHXEGNYJU-KRWDZBQOSA-N 1 0 381.314 2.751 20 0 GFADRO O=C([C@@H]1Cc2ccccc2C[NH2+]1)N1CCC(n2cc(Br)cn2)CC1 ZINC000490633027 564779481 /nfs/dbraw/zinc/77/94/81/564779481.db2.gz SZFYZJXDDSODPK-KRWDZBQOSA-N 1 0 389.297 2.524 20 0 GFADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@@H](C)Oc2cccc(Br)c2)C1 ZINC000460792990 564781019 /nfs/dbraw/zinc/78/10/19/564781019.db2.gz TWCZWWCPURMMCW-RHSMWYFYSA-N 1 0 399.329 2.689 20 0 GFADRO Cc1cc(C(C)(C)NC(=O)NCCOCC[NH+](C)C)ccc1Br ZINC000460834112 564781712 /nfs/dbraw/zinc/78/17/12/564781712.db2.gz FYFFBPLKJNWRAK-UHFFFAOYSA-N 1 0 386.334 2.870 20 0 GFADRO O=S(=O)(CC[NH2+]Cc1cccc(CO)c1)c1cccc(Br)c1 ZINC000581066561 564785810 /nfs/dbraw/zinc/78/58/10/564785810.db2.gz PWXBYWMBTMVWFB-UHFFFAOYSA-N 1 0 384.295 2.505 20 0 GFADRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2cc(Cl)c(F)c(Cl)c2)C1 ZINC000581047920 564785888 /nfs/dbraw/zinc/78/58/88/564785888.db2.gz FYGXCAICJKOZFB-JTQLQIEISA-N 1 0 376.259 2.918 20 0 GFADRO Fc1ccc(I)c(F)c1CN1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000581072272 564786943 /nfs/dbraw/zinc/78/69/43/564786943.db2.gz VXCLIIBXJTUOJL-UWVGGRQHSA-N 1 0 378.204 2.611 20 0 GFADRO C[NH+](C)CCN(Cc1ccccn1)C(=O)c1cc(O)cc(Br)c1 ZINC000528462857 564786936 /nfs/dbraw/zinc/78/69/36/564786936.db2.gz GBYALJCJSSTIQZ-UHFFFAOYSA-N 1 0 378.270 2.754 20 0 GFADRO CC(C)(C)[C@H](O)C[C@H](CO)[NH2+]Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000581086863 564787126 /nfs/dbraw/zinc/78/71/26/564787126.db2.gz AUDOKUNUHPDIRA-NVXWUHKLSA-N 1 0 396.329 2.882 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1cccc(Br)c1Cl ZINC000555276502 564788335 /nfs/dbraw/zinc/78/83/35/564788335.db2.gz YWMHBRPFCALTIG-SNVBAGLBSA-N 1 0 388.693 2.642 20 0 GFADRO O=C(CCOc1cccc(Cl)c1Cl)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000461188927 564790758 /nfs/dbraw/zinc/79/07/58/564790758.db2.gz HGTAYEKUUCLUNO-AWEZNQCLSA-N 1 0 387.307 2.943 20 0 GFADRO COc1cc([C@@H](C)[NH2+]C[C@@H](O)COc2ccccc2Br)ccn1 ZINC000581200661 564792405 /nfs/dbraw/zinc/79/24/05/564792405.db2.gz QWLUSOOXYBVAQG-TZMCWYRMSA-N 1 0 381.270 2.943 20 0 GFADRO O=S(=O)(NC[C@@H]1CC[N@@H+]1C1CCCC1)c1ccc(F)cc1Br ZINC000528545757 564793423 /nfs/dbraw/zinc/79/34/23/564793423.db2.gz HJZWWSNPJLQPEP-ZDUSSCGKSA-N 1 0 391.306 2.883 20 0 GFADRO O=S(=O)(Cc1cccc(Br)c1)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000528554340 564794233 /nfs/dbraw/zinc/79/42/33/564794233.db2.gz UAFQATYQFQRTBH-INIZCTEOSA-N 1 0 387.343 2.885 20 0 GFADRO OCC[C@@H]([NH2+]Cc1cn(-c2ccc(Cl)c(Cl)c2)nn1)C1CCOCC1 ZINC000461386533 564794890 /nfs/dbraw/zinc/79/48/90/564794890.db2.gz ZJKJWKZLVMJQHE-QGZVFWFLSA-N 1 0 385.295 2.841 20 0 GFADRO C[C@H](CNC(=O)c1c(Br)ccc2ccccc21)N1CC[NH+](C)CC1 ZINC000528567901 564795852 /nfs/dbraw/zinc/79/58/52/564795852.db2.gz UXCJPHAWAFOHBD-CQSZACIVSA-N 1 0 390.325 2.968 20 0 GFADRO COc1cc(Br)c(NC(=O)N2CC[NH2+]C[C@H]2C(C)C)cc1OC ZINC000528676278 564799701 /nfs/dbraw/zinc/79/97/01/564799701.db2.gz LPXMEVZCFXQNBL-ZDUSSCGKSA-N 1 0 386.290 2.928 20 0 GFADRO O=C(Nc1ccc(F)cc1I)N[C@H]1CC[NH2+]C12CCC2 ZINC000528681446 564799849 /nfs/dbraw/zinc/79/98/49/564799849.db2.gz GDKAYIJSSJLZJG-LBPRGKRZSA-N 1 0 389.212 2.836 20 0 GFADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NCc1ccc(Cl)cc1Cl ZINC000555634492 564800515 /nfs/dbraw/zinc/80/05/15/564800515.db2.gz UUJRAISLTKKRCZ-CABCVRRESA-N 1 0 384.307 2.695 20 0 GFADRO NS(=O)(=O)C[C@H]1CCC[N@H+](CC/C=C/c2ccc(Br)cc2)C1 ZINC000581393035 564800549 /nfs/dbraw/zinc/80/05/49/564800549.db2.gz BMBXUILPCBYATN-AWXVTKJVSA-N 1 0 387.343 2.853 20 0 GFADRO CSC1(CNc2ccc(S(N)(=O)=O)c(C(F)(F)F)c2)CC[NH+](C)CC1 ZINC000581402531 564800719 /nfs/dbraw/zinc/80/07/19/564800719.db2.gz QSPHOTOACCRTQR-UHFFFAOYSA-N 1 0 397.488 2.592 20 0 GFADRO [NH3+]CC1(NC(=O)Nc2cccc3c(Br)ccnc23)CCOCC1 ZINC000528694284 564801022 /nfs/dbraw/zinc/80/10/22/564801022.db2.gz MDNCBTOLICAPSQ-UHFFFAOYSA-N 1 0 379.258 2.627 20 0 GFADRO CSC[C@H](C)NC(=O)C(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000555667051 564801448 /nfs/dbraw/zinc/80/14/48/564801448.db2.gz DRQJCZKPUQCVNB-LSDHHAIUSA-N 1 0 383.583 2.505 20 0 GFADRO COc1cc(Br)cc(S(=O)(=O)N[C@H]2C[C@@H](C)n3ccnc32)c1 ZINC000581470185 564803078 /nfs/dbraw/zinc/80/30/78/564803078.db2.gz OQXUVRIWRJEWIZ-RNCFNFMXSA-N 1 0 386.271 2.639 20 0 GFADRO C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1[NH2+]CC(=O)Nc1ccc(I)cc1 ZINC000528754428 564803115 /nfs/dbraw/zinc/80/31/15/564803115.db2.gz DGHZOYMEDJXWAI-ZVXAKGHKSA-N 1 0 388.249 2.631 20 0 GFADRO C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1[NH2+]CCS(=O)(=O)c1cccc(Br)c1 ZINC000528755760 564803231 /nfs/dbraw/zinc/80/32/31/564803231.db2.gz HYJGQURRXSJOQJ-ZAZJYDDPSA-N 1 0 376.316 2.624 20 0 GFADRO C[C@]1(CO)CCC[C@H]1[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000492874999 564804372 /nfs/dbraw/zinc/80/43/72/564804372.db2.gz RCDIFKSANYXMQI-DAXOMENPSA-N 1 0 392.721 2.983 20 0 GFADRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)COc2ccc(F)cc2Br)C1 ZINC000493177524 564806564 /nfs/dbraw/zinc/80/65/64/564806564.db2.gz COGKUGCXUBCCGR-SWLSCSKDSA-N 1 0 385.277 2.910 20 0 GFADRO COCCN1CCC([NH2+]C[C@H]2CCN(c3cccc(Br)c3)C2)CC1 ZINC000462031879 564812385 /nfs/dbraw/zinc/81/23/85/564812385.db2.gz MDNDWUQWTHRZMP-MRXNPFEDSA-N 1 0 396.373 2.976 20 0 GFADRO C[C@H](CNC(=O)C(=O)NCc1c(Cl)cccc1Cl)C[NH+]1CCCCC1 ZINC000556130530 564813218 /nfs/dbraw/zinc/81/32/18/564813218.db2.gz CQGVHZZJYZRFJN-CYBMUJFWSA-N 1 0 386.323 2.848 20 0 GFADRO CN(CCC[NH+](C)C)C(=O)NCc1nc(-c2cccc(Br)c2)no1 ZINC000556105292 564813459 /nfs/dbraw/zinc/81/34/59/564813459.db2.gz UOKJNSIDBLDUOU-UHFFFAOYSA-N 1 0 396.289 2.592 20 0 GFADRO CC(C)[C@@H]([NH2+][C@@H]1CCc2sc(Br)cc21)C(=O)N1CCOCC1 ZINC000556104352 564813467 /nfs/dbraw/zinc/81/34/67/564813467.db2.gz TYFCPXARKRVXKL-IUODEOHRSA-N 1 0 387.343 2.971 20 0 GFADRO Cc1ccc(S(=O)(=O)NC[C@H]2CCC[N@H+](CCc3cscn3)C2)cc1 ZINC000556104974 564813506 /nfs/dbraw/zinc/81/35/06/564813506.db2.gz OJHDJHGPGYCXBR-MRXNPFEDSA-N 1 0 379.551 2.685 20 0 GFADRO Cc1cc(S(=O)(=O)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)ccc1Br ZINC000581774938 564817767 /nfs/dbraw/zinc/81/77/67/564817767.db2.gz ATAZJDAWFLESQF-INIZCTEOSA-N 1 0 387.343 2.864 20 0 GFADRO C[C@]1(CNC(=O)Cn2cc(Br)cn2)CCC[N@@H+]1Cc1ccccc1 ZINC000494191576 564819215 /nfs/dbraw/zinc/81/92/15/564819215.db2.gz KFKALEIKFBTWRP-GOSISDBHSA-N 1 0 391.313 2.817 20 0 GFADRO O[C@@H](C[NH2+]Cc1ccc(Br)cc1Cl)COC1CCOCC1 ZINC000581879448 564821960 /nfs/dbraw/zinc/82/19/60/564821960.db2.gz KWGWAQZWHRRORZ-ZDUSSCGKSA-N 1 0 378.694 2.749 20 0 GFADRO OCC[N@@H+](Cc1cccc(F)c1)C[C@@H](O)COc1cccc(Br)c1 ZINC000494289853 564822214 /nfs/dbraw/zinc/82/22/14/564822214.db2.gz GIYFCYITHIADFG-QGZVFWFLSA-N 1 0 398.272 2.822 20 0 GFADRO Cc1c(S(=O)(=O)N2CCC[C@H]([NH+](C)C)C2)cnn1-c1ccc(Cl)cc1 ZINC000462140107 564822706 /nfs/dbraw/zinc/82/27/06/564822706.db2.gz ZYGYICCFFXEYHP-INIZCTEOSA-N 1 0 382.917 2.549 20 0 GFADRO O=C(N[C@@H]1CCN(c2ccccc2Br)C1)[C@H]1CCc2cncn2C1 ZINC000581946600 564824086 /nfs/dbraw/zinc/82/40/86/564824086.db2.gz VAVUXNQMDNWPOG-UONOGXRCSA-N 1 0 389.297 2.603 20 0 GFADRO O=C1CC[C@H]([NH2+]Cc2cn(-c3cccc(Cl)c3Cl)nn2)[C@H](C2CC2)N1 ZINC000556428875 564825579 /nfs/dbraw/zinc/82/55/79/564825579.db2.gz BIQPSWJUGBVBCY-GUYCJALGSA-N 1 0 380.279 2.721 20 0 GFADRO O=C(CCNC(=O)N1CC[C@@]2(CC[NH2+]C2)C1)Nc1cc(Cl)cc(Cl)c1 ZINC000581993031 564825821 /nfs/dbraw/zinc/82/58/21/564825821.db2.gz XPCXHMSDIWXYTP-QGZVFWFLSA-N 1 0 385.295 2.717 20 0 GFADRO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NCc2cc(Br)cc3c2OCC3)C1 ZINC000462199031 564826537 /nfs/dbraw/zinc/82/65/37/564826537.db2.gz KQPSCKKXRGCBPJ-MLGOLLRUSA-N 1 0 396.329 2.912 20 0 GFADRO C[C@@H]1C[C@H]1[N@@H+]1CCN(C(=O)c2nc(C3CC3)ncc2Br)C[C@@H](C)C1 ZINC000494387281 564827735 /nfs/dbraw/zinc/82/77/35/564827735.db2.gz RLPGBJHTDOGXNK-YWPYICTPSA-N 1 0 393.329 2.919 20 0 GFADRO O=C(NCc1cccc(Br)c1)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000529297343 564828516 /nfs/dbraw/zinc/82/85/16/564828516.db2.gz CURDXIGARJMZRP-KRWDZBQOSA-N 1 0 396.329 2.749 20 0 GFADRO C[C@@H]([NH3+])C1CCN(C(=O)NCc2cc(F)c(Br)cc2F)CC1 ZINC000529371181 564831944 /nfs/dbraw/zinc/83/19/44/564831944.db2.gz WWUIXPNCXVXKKF-SECBINFHSA-N 1 0 376.245 2.996 20 0 GFADRO O=C(N[C@@H]1CC[NH2+]C12CCC2)N1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000529368182 564832159 /nfs/dbraw/zinc/83/21/59/564832159.db2.gz TVLGBDRQLBNRJI-JKSUJKDBSA-N 1 0 394.313 2.817 20 0 GFADRO O=C(c1sc2ncccc2c1Cl)N1CCC[C@@H](C[N@H+]2CC[C@H](O)C2)C1 ZINC000529398233 564833813 /nfs/dbraw/zinc/83/38/13/564833813.db2.gz JDWITITZAYGWFT-STQMWFEESA-N 1 0 379.913 2.869 20 0 GFADRO COC(=O)c1cc(S(=O)(=O)N(CC[NH+](C)C)CC2CCCCC2)cs1 ZINC000462356114 564835621 /nfs/dbraw/zinc/83/56/21/564835621.db2.gz ITDFMJDRWGCJAE-UHFFFAOYSA-N 1 0 388.555 2.667 20 0 GFADRO O=C(c1ccc(Br)c(F)c1F)N1CCC[C@@H](N2CCOCC2)C1 ZINC000529439109 564835739 /nfs/dbraw/zinc/83/57/39/564835739.db2.gz KDFLQAPLQMIRAV-LLVKDONJSA-N 1 0 389.240 2.664 20 0 GFADRO C[NH+](C)CCOc1cnccc1CNC(=O)c1cc(Br)cs1 ZINC000582266266 564837872 /nfs/dbraw/zinc/83/78/72/564837872.db2.gz NISHLCNTXBBKJQ-UHFFFAOYSA-N 1 0 384.299 2.776 20 0 GFADRO CC[NH+](CC)CCN(CC(C)C)S(=O)(=O)c1ccc(Br)cn1 ZINC000462435527 564839492 /nfs/dbraw/zinc/83/94/92/564839492.db2.gz INRXJCVYTRHBKF-UHFFFAOYSA-N 1 0 392.363 2.833 20 0 GFADRO CC(C)[NH+]1CCC(N2CCN(Cc3ncc(Br)cc3F)CC2)CC1 ZINC000529528301 564840194 /nfs/dbraw/zinc/84/01/94/564840194.db2.gz DRQXSEHUYFIZGM-UHFFFAOYSA-N 1 0 399.352 2.974 20 0 GFADRO CC(C)[NH+]1CCN([C@@H]2CCN(Cc3ncc(Br)cc3F)C2)CC1 ZINC000529531800 564841320 /nfs/dbraw/zinc/84/13/20/564841320.db2.gz RDJOGZOVPVPRGW-OAHLLOKOSA-N 1 0 385.325 2.584 20 0 GFADRO O=S(=O)(C1CC1)N1CCC[C@@H]([NH2+]Cc2ccc(OC(F)F)c(Cl)c2)C1 ZINC000556845045 564843647 /nfs/dbraw/zinc/84/36/47/564843647.db2.gz BHONUPMXVFOVSZ-GFCCVEGCSA-N 1 0 394.871 2.988 20 0 GFADRO CC[N@H+](CCNC(=O)N(CCO)Cc1cc(Br)cs1)C(C)C ZINC000494994136 564845991 /nfs/dbraw/zinc/84/59/91/564845991.db2.gz HNQSGNUOAUXIPM-UHFFFAOYSA-N 1 0 392.363 2.745 20 0 GFADRO COC(=O)c1cccc(NC(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1Br ZINC000495035666 564846878 /nfs/dbraw/zinc/84/68/78/564846878.db2.gz JSGQPNULJDYHGV-NWDGAFQWSA-N 1 0 396.285 2.984 20 0 GFADRO Cc1onc(-c2ccc(Cl)c(Cl)c2)c1C(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000582464610 564847323 /nfs/dbraw/zinc/84/73/23/564847323.db2.gz GUTQYADYRYCTJL-KRWDZBQOSA-N 1 0 384.263 2.753 20 0 GFADRO O=C(Nc1cnn(-c2ncc(Cl)cc2Cl)c1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000556969462 564848675 /nfs/dbraw/zinc/84/86/75/564848675.db2.gz LJHJCFHAAWSMQW-CYBMUJFWSA-N 1 0 381.267 2.932 20 0 GFADRO COCC[N@@H+]1CCCN(C(=O)c2ccc(Br)c3c2OCCC3)CC1 ZINC000495117543 564848810 /nfs/dbraw/zinc/84/88/10/564848810.db2.gz KZDUMXSMAUETSK-UHFFFAOYSA-N 1 0 397.313 2.568 20 0 GFADRO COc1ccc(CN2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)c(Br)c1O ZINC000556964137 564848970 /nfs/dbraw/zinc/84/89/70/564848970.db2.gz GEINHKPIZMBWKP-KDOFPFPSSA-N 1 0 399.329 2.882 20 0 GFADRO Cn1cc(Br)cc(NC(=O)c2ccc(CC[NH+](C)C)cc2)c1=O ZINC000582555484 564851861 /nfs/dbraw/zinc/85/18/61/564851861.db2.gz NUFPGAARGGROSH-UHFFFAOYSA-N 1 0 378.270 2.504 20 0 GFADRO CC[C@H]1C[N@H+](C)CCCN1S(=O)(=O)c1ccc(OC)cc1Br ZINC000582574072 564853176 /nfs/dbraw/zinc/85/31/76/564853176.db2.gz BTMOOJDXSRGHCI-LBPRGKRZSA-N 1 0 391.331 2.563 20 0 GFADRO C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]Cc1ccnc2ccnn21 ZINC000495412168 564853933 /nfs/dbraw/zinc/85/39/33/564853933.db2.gz AGDJJKSCXUUSPD-LBPRGKRZSA-N 1 0 388.269 2.999 20 0 GFADRO C[C@@H](NC(=O)NC[C@@H]1CCC[NH2+]C1)c1cc2c(cc1Br)OCCO2 ZINC000557121354 564855349 /nfs/dbraw/zinc/85/53/49/564855349.db2.gz ZTBKJRFGQYIHEE-VXGBXAGGSA-N 1 0 398.301 2.580 20 0 GFADRO CS[C@H]1CN(C(=O)c2c(F)cc(Br)cc2F)C[C@@H]1[NH+](C)C ZINC000495696465 564855406 /nfs/dbraw/zinc/85/54/06/564855406.db2.gz LEPIKVMDUHENNE-RYUDHWBXSA-N 1 0 379.270 2.845 20 0 GFADRO CS[C@@H]1CN(C(=O)c2csc(Cc3ccc(F)cc3)n2)C[C@@H]1[NH+](C)C ZINC000495684171 564855725 /nfs/dbraw/zinc/85/57/25/564855725.db2.gz ZBLCUYUGBSNHEG-JKSUJKDBSA-N 1 0 379.526 2.991 20 0 GFADRO CCn1nc(C)c(CNC(=O)[C@](C)([NH3+])c2ccc(Br)cc2)c1C ZINC000582662734 564856629 /nfs/dbraw/zinc/85/66/29/564856629.db2.gz AJJFOWTYLFEZMV-QGZVFWFLSA-N 1 0 379.302 2.773 20 0 GFADRO CC[C@H]1CN(Cc2cc(Br)cc3c2OCC3)CC[N@@H+]1C[C@H](C)O ZINC000462793276 564858817 /nfs/dbraw/zinc/85/88/17/564858817.db2.gz YPTQXZBPZWLMFK-GUYCJALGSA-N 1 0 383.330 2.661 20 0 GFADRO O=C(Cc1ccc(I)cc1)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000530027357 564860178 /nfs/dbraw/zinc/86/01/78/564860178.db2.gz KJWVOJLDQGEGCI-MRXNPFEDSA-N 1 0 398.288 2.967 20 0 GFADRO Cc1cccc(Br)c1C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000582791144 564862802 /nfs/dbraw/zinc/86/28/02/564862802.db2.gz DCKXMYCGMQZYOT-CQSZACIVSA-N 1 0 381.314 2.988 20 0 GFADRO COc1ccc(Br)c(CNC(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)c1 ZINC000497397467 564866610 /nfs/dbraw/zinc/86/66/10/564866610.db2.gz QEIITTUFEPONRT-LRDDRELGSA-N 1 0 382.302 2.693 20 0 GFADRO CC1(C)CC[N@H+](CC(=O)NC[C@@H](O)COc2cccc(Cl)c2Cl)C1 ZINC000557569066 564867911 /nfs/dbraw/zinc/86/79/11/564867911.db2.gz BTEMAGMFVPXEOH-GFCCVEGCSA-N 1 0 375.296 2.581 20 0 GFADRO CC[NH+]1CCN([C@@H]2CCN(Cc3nc4ccc(Br)cc4o3)C2)CC1 ZINC000463075918 564868765 /nfs/dbraw/zinc/86/87/65/564868765.db2.gz GPSFHJBGSPRAND-OAHLLOKOSA-N 1 0 393.329 2.802 20 0 GFADRO Brc1ccc(C2([NH2+]CCN3CCCOCC3)CCOCC2)cc1 ZINC000463109250 564869806 /nfs/dbraw/zinc/86/98/06/564869806.db2.gz YAPAAUFADUWOTI-UHFFFAOYSA-N 1 0 383.330 2.767 20 0 GFADRO O=C(CSCc1ccc(Br)cc1F)NCCNc1cc[nH+]cc1 ZINC000497580349 564872185 /nfs/dbraw/zinc/87/21/85/564872185.db2.gz ZXGIMDXBTYYLRP-UHFFFAOYSA-N 1 0 398.301 2.867 20 0 GFADRO C[C@]1(C[NH3+])CCN(C(=O)Nc2ccc(I)cc2F)C1 ZINC000583034860 564872921 /nfs/dbraw/zinc/87/29/21/564872921.db2.gz KSCIFAAHGIPHHP-CYBMUJFWSA-N 1 0 377.201 2.633 20 0 GFADRO Brc1ccc(CN[C@H]2CC[NH2+]C23CCC3)c(N2CCOCC2)c1 ZINC000530244824 564873358 /nfs/dbraw/zinc/87/33/58/564873358.db2.gz PHWBEBJEJQIHCN-KRWDZBQOSA-N 1 0 380.330 2.660 20 0 GFADRO CCC[N@H+](CC)C[C@H](C)NS(=O)(=O)c1ccc(C(=O)OC)cc1Cl ZINC000583053854 564873762 /nfs/dbraw/zinc/87/37/62/564873762.db2.gz YIKBEOSARROENH-LBPRGKRZSA-N 1 0 376.906 2.525 20 0 GFADRO C[C@H]1CC[N@H+](C)CCN1C(=O)NCc1cc(Br)cc2c1OCC2 ZINC000463263908 564874411 /nfs/dbraw/zinc/87/44/11/564874411.db2.gz XCMQXLJDKBASCQ-LBPRGKRZSA-N 1 0 382.302 2.620 20 0 GFADRO Cc1cc(NC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)nn1-c1ccc(Cl)c(Cl)c1 ZINC000583072648 564874529 /nfs/dbraw/zinc/87/45/29/564874529.db2.gz ZQGFDTSJKINYFZ-ABAIWWIYSA-N 1 0 380.279 3.313 20 0 GFADRO O=S(=O)(Cc1cccc(Br)c1)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000583075484 564874670 /nfs/dbraw/zinc/87/46/70/564874670.db2.gz MJHLZOWVSLNUSB-OAHLLOKOSA-N 1 0 387.343 2.885 20 0 GFADRO CCN(CC)S(=O)(=O)c1ccc(CC[NH2+][C@H](C)CCn2cccn2)s1 ZINC000497829497 564877242 /nfs/dbraw/zinc/87/72/42/564877242.db2.gz UBHQRRDJGXSIBJ-OAHLLOKOSA-N 1 0 384.571 2.586 20 0 GFADRO CCN(CC)S(=O)(=O)c1ccc(CC[NH2+][C@@H](C)CCn2cccn2)s1 ZINC000497829496 564877396 /nfs/dbraw/zinc/87/73/96/564877396.db2.gz UBHQRRDJGXSIBJ-HNNXBMFYSA-N 1 0 384.571 2.586 20 0 GFADRO OC[C@@H]([C@@H]([NH2+]C[C@H](O)COc1cccc(Br)c1)C1CC1)C1CC1 ZINC000583185776 564879273 /nfs/dbraw/zinc/87/92/73/564879273.db2.gz LLZACCGZIRGETD-JQHSSLGASA-N 1 0 384.314 2.576 20 0 GFADRO O[C@H](C[NH2+]Cc1cnc2n1CCCC2)COc1ccc(Br)cc1 ZINC000583258712 564883414 /nfs/dbraw/zinc/88/34/14/564883414.db2.gz FEAPTMKKLADMQO-OAHLLOKOSA-N 1 0 380.286 2.511 20 0 GFADRO C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000497983377 564883598 /nfs/dbraw/zinc/88/35/98/564883598.db2.gz CBAWIVWMYZLBCN-LRDDRELGSA-N 1 0 379.913 2.939 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CC[NH2+]C[C@H](O)CC(F)(F)F ZINC000583257878 564883610 /nfs/dbraw/zinc/88/36/10/564883610.db2.gz CNSFYFAOQSQAJU-LLVKDONJSA-N 1 0 383.208 2.989 20 0 GFADRO C[C@@H](OC[C@@H](O)C[NH2+]C1CCC(S(C)(=O)=O)CC1)c1ccc(Cl)cc1 ZINC000583317336 564886381 /nfs/dbraw/zinc/88/63/81/564886381.db2.gz DPZCIZADRFFBGW-UKYFPXCRSA-N 1 0 389.945 2.724 20 0 GFADRO C[C@@H](Cc1ccc(Br)cc1)NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC000583390437 564889417 /nfs/dbraw/zinc/88/94/17/564889417.db2.gz QSTPVILKGHKQPW-ZDUSSCGKSA-N 1 0 379.302 2.568 20 0 GFADRO CC1CC[NH+](CCNC(=O)NCCNc2cccc(Br)c2)CC1 ZINC000498158639 564889873 /nfs/dbraw/zinc/88/98/73/564889873.db2.gz YJXPCEKDRNYNGZ-UHFFFAOYSA-N 1 0 383.334 2.892 20 0 GFADRO NC(=O)[C@H](c1ccccc1)N1CCN(Cc2cscc2Br)CC1 ZINC000583408487 564890076 /nfs/dbraw/zinc/89/00/76/564890076.db2.gz ZMPMCUIFHBLMSH-INIZCTEOSA-N 1 0 394.338 2.855 20 0 GFADRO COC(C)(C)CS(=O)(=O)NC[C@H](c1cccc(C(F)(F)F)c1)N(C)C ZINC000583409411 564890320 /nfs/dbraw/zinc/89/03/20/564890320.db2.gz MYNWAUPLKWKJPU-CQSZACIVSA-N 1 0 382.448 2.653 20 0 GFADRO CO[C@@H]1CCN(C(=O)N[C@@H]2C[C@H]2c2ccc(Br)s2)[C@H](C[NH3+])C1 ZINC000583430525 564891025 /nfs/dbraw/zinc/89/10/25/564891025.db2.gz FKMKGRQNVHDABV-IRCOFANPSA-N 1 0 388.331 2.514 20 0 GFADRO COCCN(C)C[C@H](O)C[NH2+][C@H]1c2cccc(Br)c2CC1(C)C ZINC000583449026 564891928 /nfs/dbraw/zinc/89/19/28/564891928.db2.gz ZAVMYPJUVWRTES-DYVFJYSZSA-N 1 0 385.346 2.601 20 0 GFADRO CCOC(=O)[C@H](Cc1cc(Cl)cc(Cl)c1)NC(=O)[C@H]([NH3+])CC(F)F ZINC000498202267 564892051 /nfs/dbraw/zinc/89/20/51/564892051.db2.gz SWUWFIDUYZGADY-NEPJUHHUSA-N 1 0 383.222 2.566 20 0 GFADRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)COc1cc(Cl)cc(Cl)c1 ZINC000463864799 564892508 /nfs/dbraw/zinc/89/25/08/564892508.db2.gz JUYQIYNUSAEAAL-HNNXBMFYSA-N 1 0 375.296 2.941 20 0 GFADRO COCCO[C@@H]1COCC[C@H]1[NH2+][C@@H](C)Cc1ccc(F)cc1Br ZINC000558110689 564892893 /nfs/dbraw/zinc/89/28/93/564892893.db2.gz BPISOQIZYRWXOU-JCURWCKSSA-N 1 0 390.293 2.929 20 0 GFADRO CC(C)[C@H](NC(=O)c1ccccc1Br)C(=O)NCCCC[NH+](C)C ZINC000498356367 564896852 /nfs/dbraw/zinc/89/68/52/564896852.db2.gz TYNPWYCFFDYTNV-INIZCTEOSA-N 1 0 398.345 2.662 20 0 GFADRO CNC(=O)[C@H]1CCC[C@H]1[NH2+]Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000498362107 564897047 /nfs/dbraw/zinc/89/70/47/564897047.db2.gz DTWMUBLWLJYCOX-JKSUJKDBSA-N 1 0 377.286 2.639 20 0 GFADRO C[C@H](CNC(=O)c1ccc(Cl)c(NS(C)(=O)=O)c1)[N@@H+]1CCC[C@H](C)C1 ZINC000498352328 564897145 /nfs/dbraw/zinc/89/71/45/564897145.db2.gz HMPIRMXPLAPDLI-QWHCGFSZSA-N 1 0 387.933 2.562 20 0 GFADRO CCN(CC)S(=O)(=O)c1ccc(C[NH2+][C@@H](C)CC(=O)OC(C)(C)C)s1 ZINC000498404978 564897604 /nfs/dbraw/zinc/89/76/04/564897604.db2.gz WWCSLPMCYHQMDJ-ZDUSSCGKSA-N 1 0 390.571 2.989 20 0 GFADRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+]Cc1cc(Br)c2c(c1)OCCCO2 ZINC000498371451 564897728 /nfs/dbraw/zinc/89/77/28/564897728.db2.gz DATMQMMCPPEHJC-TZMCWYRMSA-N 1 0 383.286 2.615 20 0 GFADRO O=C(CNC(=O)Cc1cc(Cl)ccc1Cl)NCC[NH+]1CCCCCC1 ZINC000558352489 564898820 /nfs/dbraw/zinc/89/88/20/564898820.db2.gz SNTHLTLIRZGPGL-UHFFFAOYSA-N 1 0 386.323 2.644 20 0 GFADRO O=C(NC[C@H]1C[NH2+]CCO1)c1ccc(-c2ccc(Br)s2)s1 ZINC000583625412 564899547 /nfs/dbraw/zinc/89/95/47/564899547.db2.gz PVKNWOSPKVWGES-SECBINFHSA-N 1 0 387.324 2.957 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)c1csc(-c2nc[nH]n2)n1)c1ccc(Cl)cc1 ZINC000531080213 564901163 /nfs/dbraw/zinc/90/11/63/564901163.db2.gz RHTDVHPOEYTQTC-CYBMUJFWSA-N 1 0 376.873 2.614 20 0 GFADRO CC[N@@H+]1C[C@@H](C)N(C(=O)Cc2ccccc2I)C[C@@H]1C ZINC000498552828 564901781 /nfs/dbraw/zinc/90/17/81/564901781.db2.gz CKUSOOQOPKUFLZ-QWHCGFSZSA-N 1 0 386.277 2.775 20 0 GFADRO CC1=C[C@H](C)C[C@H](C[NH2+]Cc2ccc(S(=O)(=O)N3CCOCC3)s2)C1 ZINC000558482738 564903756 /nfs/dbraw/zinc/90/37/56/564903756.db2.gz JYCFDFGDUJDFEV-HOCLYGCPSA-N 1 0 384.567 2.851 20 0 GFADRO C[C@@H]1CC[N@H+](C)CCN1C(=O)[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000498705643 564906133 /nfs/dbraw/zinc/90/61/33/564906133.db2.gz ITLZVORXPISJFR-OCCSQVGLSA-N 1 0 384.307 2.899 20 0 GFADRO CCCC(=O)N1CSC[C@H]1C(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000531306228 564906647 /nfs/dbraw/zinc/90/66/47/564906647.db2.gz KVYMDOLGCPDGIF-CVEARBPZSA-N 1 0 383.945 2.761 20 0 GFADRO C[N@@H+]1CCC[C@@H](CNC(=O)N[C@H]2COc3cc(F)c(Br)cc32)C1 ZINC000558580440 564906885 /nfs/dbraw/zinc/90/68/85/564906885.db2.gz IOMJXNXZNBBAAG-HZMBPMFUSA-N 1 0 386.265 2.663 20 0 GFADRO CSC1(CNc2ncccc2I)CC[NH+](C)CC1 ZINC000558599864 564908609 /nfs/dbraw/zinc/90/86/09/564908609.db2.gz ULRRHGDVWHZUJE-UHFFFAOYSA-N 1 0 377.295 2.926 20 0 GFADRO COc1cc(NC(=O)NCCNc2cc[nH+]cc2)cc(OC)c1Br ZINC000498894871 564912650 /nfs/dbraw/zinc/91/26/50/564912650.db2.gz PONUBULRKNPWDE-UHFFFAOYSA-N 1 0 395.257 2.517 20 0 GFADRO CC1=CC[N@H+](CCNC(=O)C(=O)N(C)Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000498951942 564914310 /nfs/dbraw/zinc/91/43/10/564914310.db2.gz OSSNOYMKVPTVBM-UHFFFAOYSA-N 1 0 384.307 2.720 20 0 GFADRO CC(C)(C)N1CC[C@H]([NH2+]CCNS(C)(=O)=O)[C@H]1c1ccc(Cl)c(F)c1 ZINC000558896484 564917770 /nfs/dbraw/zinc/91/77/70/564917770.db2.gz KOASOGDJLQZIDS-JKSUJKDBSA-N 1 0 391.940 2.532 20 0 GFADRO CCS[C@H]1CC[C@H]([N@H+](C)CC(=O)N2CCN(Cc3ccsc3)CC2)C1 ZINC000464779362 564918459 /nfs/dbraw/zinc/91/84/59/564918459.db2.gz YHQKOYBNOBHRNF-ROUUACIJSA-N 1 0 381.611 2.998 20 0 GFADRO C[C@H](c1ccccc1)[C@H](O)C[NH2+]C[C@H](O)COc1ccccc1Br ZINC000584053193 564918963 /nfs/dbraw/zinc/91/89/63/564918963.db2.gz BMZLDNTXUFNFMK-UWWQBHOKSA-N 1 0 394.309 2.943 20 0 GFADRO O=C(NCC[C@@H](O)C(F)(F)F)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000499137500 564919545 /nfs/dbraw/zinc/91/95/45/564919545.db2.gz YIPIHDPKIFHHHH-CQSZACIVSA-N 1 0 379.448 2.573 20 0 GFADRO C[NH+](C)[C@@]1(CNC(=O)N2CCc3cccc(Br)c3C2)CCSC1 ZINC000464913246 564920836 /nfs/dbraw/zinc/92/08/36/564920836.db2.gz ZHPVSJAFIKXPIC-QGZVFWFLSA-N 1 0 398.370 2.954 20 0 GFADRO O=C(C1CC[NH+](C2CC2)CC1)N(CCO)Cc1cccc(Br)c1 ZINC000559040460 564921446 /nfs/dbraw/zinc/92/14/46/564921446.db2.gz FSTHBOFSBSRKDN-UHFFFAOYSA-N 1 0 381.314 2.644 20 0 GFADRO CC[NH+](CC)[C@@H]1CCN(C(=O)[C@@H](C)NC(=O)c2ccc(Br)cc2)C1 ZINC000464970953 564921661 /nfs/dbraw/zinc/92/16/61/564921661.db2.gz HJZGJPYRSUUUGR-CZUORRHYSA-N 1 0 396.329 2.510 20 0 GFADRO O=S(=O)(N[C@@H]1CCCC[C@H]1N1CCOCC1)c1ccc(Cl)c(Cl)c1 ZINC000531911510 564923659 /nfs/dbraw/zinc/92/36/59/564923659.db2.gz ITDWCPDCAIFCSF-HZPDHXFCSA-N 1 0 393.336 2.915 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC000584180702 564924170 /nfs/dbraw/zinc/92/41/70/564924170.db2.gz AHYVUMZVQNTUMM-GFCCVEGCSA-N 1 0 382.302 2.544 20 0 GFADRO [NH3+]C[C@H]1CC[C@H](CNS(=O)(=O)c2ccc(F)c(Br)c2)CC1 ZINC000584231569 564926833 /nfs/dbraw/zinc/92/68/33/564926833.db2.gz DHWQTPNLIQKMEK-XYPYZODXSA-N 1 0 379.295 2.632 20 0 GFADRO Cc1cc(S(=O)(=O)N2CCC3(CC[NH2+]C3)CC2)c(F)cc1Br ZINC000584291189 564929396 /nfs/dbraw/zinc/92/93/96/564929396.db2.gz DVXVUMBEHASRNK-UHFFFAOYSA-N 1 0 391.306 2.661 20 0 GFADRO C[C@@H](C[NH+](C)C)NC(=O)NC1CCN(Cc2ccc(Br)cc2)CC1 ZINC000499568128 564931339 /nfs/dbraw/zinc/93/13/39/564931339.db2.gz AFGRUGMCHHORPZ-AWEZNQCLSA-N 1 0 397.361 2.663 20 0 GFADRO C[C@H](CNC(=O)c1ccc(F)c(I)c1)[NH+]1CCCC1 ZINC000532185415 564931571 /nfs/dbraw/zinc/93/15/71/564931571.db2.gz JWZZTWDGBMYBSX-SNVBAGLBSA-N 1 0 376.213 2.644 20 0 GFADRO CS[C@H](C)CNC(=O)C(=O)NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000559382158 564931805 /nfs/dbraw/zinc/93/18/05/564931805.db2.gz OXAFSCYRCHHKLZ-CABCVRRESA-N 1 0 383.583 2.505 20 0 GFADRO CC[NH+](CC)[C@H](CNC(=O)C(=O)NCCc1cccs1)c1ccsc1 ZINC000559434181 564933023 /nfs/dbraw/zinc/93/30/23/564933023.db2.gz JBQQKIBZRLTTPE-MRXNPFEDSA-N 1 0 379.551 2.668 20 0 GFADRO OC[C@]1([C@@H]([NH2+]CCOc2cc(F)cc(Br)c2)C2CC2)CCCO1 ZINC000559465879 564933343 /nfs/dbraw/zinc/93/33/43/564933343.db2.gz CZQKOBUZHXVOQM-IRXDYDNUSA-N 1 0 388.277 2.877 20 0 GFADRO C[C@H](CNC(=O)NC[C@@H](C)[N@H+](C)C1CC1)Oc1cccc(Br)c1 ZINC000465894736 564933770 /nfs/dbraw/zinc/93/37/70/564933770.db2.gz SLWNVIGGIVQDMZ-CHWSQXEVSA-N 1 0 384.318 2.998 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)N[C@H]2CCN(c3ccccc3Br)C2)CC[N@@H+]1C ZINC000465893603 564933788 /nfs/dbraw/zinc/93/37/88/564933788.db2.gz TZULAEJSFHKGMB-ILXRZTDVSA-N 1 0 395.345 2.810 20 0 GFADRO C[N@H+](CCNC(=O)NCCOc1ncc(C(F)(F)F)cc1Cl)C1CC1 ZINC000465932697 564934369 /nfs/dbraw/zinc/93/43/69/564934369.db2.gz VJNGCAMGIHEKMQ-UHFFFAOYSA-N 1 0 380.798 2.526 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)NC[C@@H](O)COc2cccc(Cl)c2Cl)CC[N@@H+]1C ZINC000466032800 564935167 /nfs/dbraw/zinc/93/51/67/564935167.db2.gz BDPPZIGWZQDGPF-FRRDWIJNSA-N 1 0 390.311 2.515 20 0 GFADRO CC[NH+](CC)CCN(Cc1cccs1)C(=O)C(=O)NCc1ccsc1 ZINC000559731214 564938648 /nfs/dbraw/zinc/93/86/48/564938648.db2.gz WFBLATQXERVNQO-UHFFFAOYSA-N 1 0 379.551 2.796 20 0 GFADRO C[C@@H](CNC(=O)N(C)CC[NH+]1CCCC1)Oc1ccc(Br)cc1 ZINC000466379913 564938791 /nfs/dbraw/zinc/93/87/91/564938791.db2.gz HWWCRFIXTWHWFS-AWEZNQCLSA-N 1 0 384.318 2.954 20 0 GFADRO CCCC[NH+]1CCC(NC(=O)c2cc(Br)cnc2N(C)C)CC1 ZINC000499865168 564938774 /nfs/dbraw/zinc/93/87/74/564938774.db2.gz VWGMTNOJHSPXAK-UHFFFAOYSA-N 1 0 383.334 2.904 20 0 GFADRO Cc1c2cc(Br)ccc2sc1C(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000499899622 564939557 /nfs/dbraw/zinc/93/95/57/564939557.db2.gz WYBIFUDTCWSSGN-MRXNPFEDSA-N 1 0 383.311 2.769 20 0 GFADRO Cc1cc(NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC3)C2)c(F)cc1Br ZINC000499917823 564940242 /nfs/dbraw/zinc/94/02/42/564940242.db2.gz VCRLLBVBGPDRHU-LBPRGKRZSA-N 1 0 398.276 2.530 20 0 GFADRO C[C@H](CNC(=O)C(=O)Nc1ccc(Br)c(Cl)c1)[NH+]1CCCC1 ZINC000532596085 564940515 /nfs/dbraw/zinc/94/05/15/564940515.db2.gz DRRBGOADLDOFHA-SNVBAGLBSA-N 1 0 388.693 2.642 20 0 GFADRO COc1ccc(C[NH+](C)C)cc1NC(=O)Cc1cc[nH]c(=O)c1Br ZINC000559872629 564941225 /nfs/dbraw/zinc/94/12/25/564941225.db2.gz OITZARJLZYPQOR-UHFFFAOYSA-N 1 0 394.269 2.801 20 0 GFADRO CN(CC[NH+]1CCCC1)C(=O)C(=O)Nc1cc(Cl)ccc1C(F)(F)F ZINC000500011927 564942635 /nfs/dbraw/zinc/94/26/35/564942635.db2.gz VHUUZSOCZJDQBS-UHFFFAOYSA-N 1 0 377.794 2.852 20 0 GFADRO CC[NH+](CC)[C@H](CNS(=O)(=O)c1ccsc1C(=O)OC)CC(C)C ZINC000532768973 564945153 /nfs/dbraw/zinc/94/51/53/564945153.db2.gz BFEFCCYSWHQPGV-ZDUSSCGKSA-N 1 0 376.544 2.570 20 0 GFADRO COc1ccc(Cl)c(S(=O)(=O)NCc2ccc(CC[NH+](C)C)cc2)c1 ZINC000466733711 564946304 /nfs/dbraw/zinc/94/63/04/564946304.db2.gz DGUWZCNZKATHEU-UHFFFAOYSA-N 1 0 382.913 2.931 20 0 GFADRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N1CCc2cccc(Br)c2C1 ZINC000466755815 564947228 /nfs/dbraw/zinc/94/72/28/564947228.db2.gz QDTAWNKWFGHFCA-SJKOYZFVSA-N 1 0 378.314 3.000 20 0 GFADRO OC[C@@H]([NH2+]Cc1ccc(I)cc1Cl)C1CCOCC1 ZINC000500362446 564951073 /nfs/dbraw/zinc/95/10/73/564951073.db2.gz DANTVQJXHIPSMF-CQSZACIVSA-N 1 0 395.668 2.822 20 0 GFADRO Cc1ccc(C(=O)N[C@H]2C[N@H+](C3CC3)C[C@@H]2C)cc1I ZINC000467024379 564953166 /nfs/dbraw/zinc/95/31/66/564953166.db2.gz SSKBGYHDKRCIBF-NHYWBVRUSA-N 1 0 384.261 2.812 20 0 GFADRO COCCN1CC[C@H]([NH2+]Cc2ccc(I)c(Cl)c2)C1 ZINC000500446539 564953700 /nfs/dbraw/zinc/95/37/00/564953700.db2.gz GFZCOWGNUPCHCP-LBPRGKRZSA-N 1 0 394.684 2.755 20 0 GFADRO CCOc1cc(C[NH2+][C@@H]2CCC[C@H]2CNS(C)(=O)=O)cc(Cl)c1OC ZINC000500487586 564954840 /nfs/dbraw/zinc/95/48/40/564954840.db2.gz MUVLNLJJOAJNJY-DZGCQCFKSA-N 1 0 390.933 2.555 20 0 GFADRO CS(=O)(=O)NC[C@H]1CCC[C@H]1[NH2+]Cc1cc(Cl)ccc1OCC1CC1 ZINC000500507020 564955912 /nfs/dbraw/zinc/95/59/12/564955912.db2.gz GTPUWDKDNVNCOV-RHSMWYFYSA-N 1 0 386.945 2.936 20 0 GFADRO CCSc1nnc(NC(=O)N[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)s1 ZINC000467216055 564958497 /nfs/dbraw/zinc/95/84/97/564958497.db2.gz JPIAJXGEKAYMNH-OCCSQVGLSA-N 1 0 377.539 3.435 20 0 GFADRO O[C@H](C[NH2+]CCc1ccc2c(c1)OCO2)COc1ccc(Br)cc1 ZINC000560393154 564959648 /nfs/dbraw/zinc/95/96/48/564959648.db2.gz MYJKOVVYSHDPJS-OAHLLOKOSA-N 1 0 394.265 2.750 20 0 GFADRO O=S(=O)(NCC[NH2+][C@H](c1cncc(F)c1)C1CC1)c1cccc(Cl)c1 ZINC000467354995 564961452 /nfs/dbraw/zinc/96/14/52/564961452.db2.gz FNPKTYKCNOEMOF-KRWDZBQOSA-N 1 0 383.876 2.893 20 0 GFADRO CC[N@H+](CC(=O)N1CCN(Cc2cc(Br)ccc2F)CC1)C1CC1 ZINC000500803641 564963069 /nfs/dbraw/zinc/96/30/69/564963069.db2.gz VFLFORQBRWKQDP-UHFFFAOYSA-N 1 0 398.320 2.717 20 0 GFADRO CC[C@H]([NH2+][C@H]1CCN(CCC(=O)OC)C1=O)c1ccc(Br)cc1 ZINC000500834278 564963664 /nfs/dbraw/zinc/96/36/64/564963664.db2.gz ARMXJZYZAQFWJU-GJZGRUSLSA-N 1 0 383.286 2.654 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)c2cccc(F)c2I)CC[N@@H+]1C ZINC000533536582 564965084 /nfs/dbraw/zinc/96/50/84/564965084.db2.gz XVPZEFORMMGBDD-ZJUUUORDSA-N 1 0 376.213 2.643 20 0 GFADRO COc1ncc(CN2CC[NH+](CCCOCC(F)(F)F)CC2)cc1Cl ZINC000533558615 564965754 /nfs/dbraw/zinc/96/57/54/564965754.db2.gz SIXVMDCGZOUURQ-UHFFFAOYSA-N 1 0 381.826 2.830 20 0 GFADRO CCOc1c(Cl)cc(NC(=O)C(=O)NCC(C)(C)[NH+](C)C)cc1Cl ZINC000467507561 564965785 /nfs/dbraw/zinc/96/57/85/564965785.db2.gz GHNLCHOFGPZZKG-UHFFFAOYSA-N 1 0 376.284 2.787 20 0 GFADRO CCS(=O)(=O)N1CCC([C@@H](C)[N@H+](C)Cc2ncc(CSC)s2)CC1 ZINC000560533503 564966420 /nfs/dbraw/zinc/96/64/20/564966420.db2.gz LYRKGGDRKVOVNM-CYBMUJFWSA-N 1 0 391.628 2.888 20 0 GFADRO C[C@@H]1CN(C(=O)c2ccc(S(=O)(=O)c3ccccc3)s2)C[C@@H]1[NH+](C)C ZINC000467520016 564966596 /nfs/dbraw/zinc/96/65/96/564966596.db2.gz GTQZDMMKOOLAMF-HIFRSBDPSA-N 1 0 378.519 2.603 20 0 GFADRO CC[C@H]([NH2+]CCNS(=O)(=O)c1cccc(Cl)c1Cl)[C@H]1CCOC1 ZINC000560575017 564968009 /nfs/dbraw/zinc/96/80/09/564968009.db2.gz KNRPWVLZLDBLCE-AAEUAGOBSA-N 1 0 381.325 2.676 20 0 GFADRO C[C@@H]1CCC[C@@H](CO)[N@@H+]1CC(=O)N(C)CCOc1ccc(Br)cc1 ZINC000501039793 564968299 /nfs/dbraw/zinc/96/82/99/564968299.db2.gz NSLUQYFUKDMKQU-ZBFHGGJFSA-N 1 0 399.329 2.522 20 0 GFADRO CCCS(=O)(=O)Nc1cc(NC(=O)[C@@]2(CC)CCC[NH2+]2)c(F)cc1F ZINC000467693101 564970233 /nfs/dbraw/zinc/97/02/33/564970233.db2.gz ABKCWRQTFRWXDN-MRXNPFEDSA-N 1 0 375.441 2.587 20 0 GFADRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1ccn(-c2cccc(Br)c2)n1 ZINC000467722260 564970361 /nfs/dbraw/zinc/97/03/61/564970361.db2.gz XUMDXUFDLMDLNQ-SJCJKPOMSA-N 1 0 389.297 2.847 20 0 GFADRO CN(C)C(=O)Nc1ccc(Cl)c(C(=O)NC[C@]2([NH+](C)C)CCSC2)c1 ZINC000501100035 564970918 /nfs/dbraw/zinc/97/09/18/564970918.db2.gz HGHLQPXSSXPXES-QGZVFWFLSA-N 1 0 384.933 2.601 20 0 GFADRO C[C@H](NS(=O)(=O)c1ccc(Br)c(F)c1)C(C)(C)C[NH+](C)C ZINC000467766862 564971780 /nfs/dbraw/zinc/97/17/80/564971780.db2.gz FCOHTOSRVGNUHB-JTQLQIEISA-N 1 0 381.311 2.843 20 0 GFADRO C[NH+](C)CCN1C[C@@H](C(=O)NC2(c3ccc(Cl)c(Cl)c3)CC2)CC1=O ZINC000467832843 564973502 /nfs/dbraw/zinc/97/35/02/564973502.db2.gz VIVLYEOFJBUXFY-LBPRGKRZSA-N 1 0 384.307 2.509 20 0 GFADRO C[C@@H](C(=O)NCc1cn2cc(Br)ccc2n1)[NH+]1CCCCCC1 ZINC000467981594 564975924 /nfs/dbraw/zinc/97/59/24/564975924.db2.gz FPHDWFKSBFUCOF-ZDUSSCGKSA-N 1 0 379.302 2.978 20 0 GFADRO CS[C@H]1CN(C(=O)C2(c3ccccc3Cl)CCOCC2)C[C@@H]1[NH+](C)C ZINC000534093303 564979769 /nfs/dbraw/zinc/97/97/69/564979769.db2.gz IXVRMSRWTWDKNG-IRXDYDNUSA-N 1 0 382.957 2.892 20 0 GFADRO COC[C@@](C)(CCO)[NH2+]Cc1ccc(I)cc1Cl ZINC000501467483 564980707 /nfs/dbraw/zinc/98/07/07/564980707.db2.gz OWMWYDZSQXJXSW-CYBMUJFWSA-N 1 0 383.657 2.822 20 0 GFADRO CC1CC[NH+](C[C@H](O)CNCc2c(F)ccc(Br)c2F)CC1 ZINC000501478150 564980968 /nfs/dbraw/zinc/98/09/68/564980968.db2.gz NOSLSYHQOOOYMN-GFCCVEGCSA-N 1 0 377.273 2.910 20 0 GFADRO C[NH+](C)Cc1ccc(CNS(=O)(=O)c2cc(F)c(F)c(F)c2)cc1F ZINC000534235597 564982729 /nfs/dbraw/zinc/98/27/29/564982729.db2.gz MAZVPOPIJFXZFO-UHFFFAOYSA-N 1 0 376.375 2.783 20 0 GFADRO COc1ccc(Br)cc1C1(C(=O)NC[C@H]2CCC[N@H+](C)C2)CC1 ZINC000561098159 564984184 /nfs/dbraw/zinc/98/41/84/564984184.db2.gz VHMJQMQLXFTTQJ-CYBMUJFWSA-N 1 0 381.314 2.947 20 0 GFADRO CN(C)c1ncc(Br)cc1C(=O)NC[C@H]1[N@H+](C)CCCC1(C)C ZINC000468489282 564985177 /nfs/dbraw/zinc/98/51/77/564985177.db2.gz TVIOIWWFOJQUQX-CQSZACIVSA-N 1 0 383.334 2.760 20 0 GFADRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)NCCNc2ncc(C(F)(F)F)cc2Cl)C1 ZINC000561143176 564985522 /nfs/dbraw/zinc/98/55/22/564985522.db2.gz PGDFFAQZNVNTKU-MWLCHTKSSA-N 1 0 379.814 2.592 20 0 GFADRO COCC[N@H+](C)CCNC(=O)c1c(C)onc1-c1cccc(Br)c1 ZINC000501758932 564985798 /nfs/dbraw/zinc/98/57/98/564985798.db2.gz WJWHYBWGXXTBED-UHFFFAOYSA-N 1 0 396.285 2.721 20 0 GFADRO CS[C@H]1CN(C(=O)c2nn(-c3ccccc3Cl)cc2C)C[C@H]1[NH+](C)C ZINC000501867256 564987259 /nfs/dbraw/zinc/98/72/59/564987259.db2.gz NXZWZDJRFSJAQT-CVEARBPZSA-N 1 0 378.929 2.952 20 0 GFADRO Cc1cc(Cl)c(NC(=O)C(=O)NC[C@]2([NH+](C)C)CCSC2)cc1Cl ZINC000501868106 564987271 /nfs/dbraw/zinc/98/72/71/564987271.db2.gz BBSNENUOCVOQNZ-MRXNPFEDSA-N 1 0 390.336 2.794 20 0 GFADRO CC[N@@H+]1CCCC[C@@H]1C(=O)NCc1nc(-c2cccc(Br)c2)no1 ZINC000468608219 564987994 /nfs/dbraw/zinc/98/79/94/564987994.db2.gz LNZTXNGMXPRDSH-CQSZACIVSA-N 1 0 393.285 2.990 20 0 GFADRO C[C@@H](O)C[N@@H+]1CCN(CCOc2ccc(Cl)cc2Br)[C@H](C)C1 ZINC000501973292 564989393 /nfs/dbraw/zinc/98/93/93/564989393.db2.gz HBJXBYDEMMFAGU-CHWSQXEVSA-N 1 0 391.737 2.868 20 0 GFADRO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N[C@H](C)Cc1ccc(Cl)cc1Cl ZINC000561329158 564991696 /nfs/dbraw/zinc/99/16/96/564991696.db2.gz YPVVMMRVLMDWLP-OLZOCXBDSA-N 1 0 388.339 2.887 20 0 GFADRO Cc1ccc([C@H](CNC(=O)c2cc[nH]c(=O)c2Br)[NH+](C)C)cc1 ZINC000468807850 564994351 /nfs/dbraw/zinc/99/43/51/564994351.db2.gz CWPHKMLRJVHBHQ-AWEZNQCLSA-N 1 0 378.270 2.891 20 0 GFADRO CSc1ccc(C[NH2+]Cc2cccnc2N2CCC(C(N)=O)CC2)s1 ZINC000561411090 564994647 /nfs/dbraw/zinc/99/46/47/564994647.db2.gz DAGQNFKPDONVOA-UHFFFAOYSA-N 1 0 376.551 2.857 20 0 GFADRO CCC[N@@H+]1CCC[C@H]1CNC(=O)CSc1nnc(-c2cccs2)n1C ZINC000561429404 564994678 /nfs/dbraw/zinc/99/46/78/564994678.db2.gz YUMUVCDJFMRQOI-ZDUSSCGKSA-N 1 0 379.555 2.626 20 0 GFADRO CC[NH+](CC)C[C@@H](C)NC(=O)[C@@H]1CC(=O)Nc2ccc(Br)cc21 ZINC000468861300 564996868 /nfs/dbraw/zinc/99/68/68/564996868.db2.gz FBZFJVGQAHLMFR-BXUZGUMPSA-N 1 0 382.302 2.721 20 0 GFADRO C[C@@H](NC(=O)N1CC[N@@H+](C[C@H](C)O)C[C@H]1C)c1ccc(Br)s1 ZINC000502376569 564996970 /nfs/dbraw/zinc/99/69/70/564996970.db2.gz OOASAGGFIWOTDU-GRYCIOLGSA-N 1 0 390.347 2.668 20 0 GFADRO CS[C@H]1CN(C(=O)c2cn(-c3ccc(Cl)cc3)nc2C)C[C@H]1[NH+](C)C ZINC000534827122 564997282 /nfs/dbraw/zinc/99/72/82/564997282.db2.gz BTMXNVRLMICRFC-SJORKVTESA-N 1 0 378.929 2.952 20 0 GFADRO C[C@H]([NH2+]C[C@@H](O)CS(=O)(=O)c1cccs1)c1cnn(C2CCCC2)c1 ZINC000502385779 564997320 /nfs/dbraw/zinc/99/73/20/564997320.db2.gz FDMZURKMXCVANI-XJKSGUPXSA-N 1 0 383.539 2.545 20 0 GFADRO O[C@@H](COc1ccc(Br)cc1)C[N@@H+]1CC[C@H](C2CCOCC2)C1 ZINC000535117588 565004824 /nfs/dbraw/zinc/00/48/24/565004824.db2.gz UHAYTMCYVPJSSX-DOTOQJQBSA-N 1 0 384.314 2.937 20 0 GFADRO C[C@@H](CNC(=O)c1cn(-c2ccc(Br)cc2)cn1)[N@H+](C)C1CC1 ZINC000535161558 565006386 /nfs/dbraw/zinc/00/63/86/565006386.db2.gz IQAFGNXEBPQTRD-LBPRGKRZSA-N 1 0 377.286 2.847 20 0 GFADRO CC[N@H+](CCNC(=O)COc1cccc(I)c1)C(C)C ZINC000469120495 565006379 /nfs/dbraw/zinc/00/63/79/565006379.db2.gz YOFAJOONCXTJQW-UHFFFAOYSA-N 1 0 390.265 2.517 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC000469177774 565008212 /nfs/dbraw/zinc/00/82/12/565008212.db2.gz BPBVLJLPZKLCFP-STQMWFEESA-N 1 0 382.302 2.685 20 0 GFADRO Cc1c(Br)ccc(C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)c1F ZINC000469223549 565009820 /nfs/dbraw/zinc/00/98/20/565009820.db2.gz DIJYEFSSNNUWBF-NSHDSACASA-N 1 0 387.293 2.814 20 0 GFADRO C[C@H](CC(=O)N(C)C)[NH2+]Cc1ccc(I)c(Cl)c1 ZINC000503084066 565011810 /nfs/dbraw/zinc/01/18/10/565011810.db2.gz DIVNRSHTCSAWKT-SECBINFHSA-N 1 0 380.657 2.901 20 0 GFADRO COC(=O)[C@]1(C)C[N@H+](CC(=O)N[C@@H](C)c2ccc(Br)cc2)C[C@H]1C ZINC000503239342 565015650 /nfs/dbraw/zinc/01/56/50/565015650.db2.gz KHVMVLSCQQPEIQ-FHSNZYRGSA-N 1 0 397.313 2.757 20 0 GFADRO COC(=O)[C@]1(C)C[N@H+](C[C@H](O)COc2cc(Cl)ccc2Cl)C[C@H]1C ZINC000503265500 565016149 /nfs/dbraw/zinc/01/61/49/565016149.db2.gz DBBDWBPDZDXPJU-BTJLNZGRSA-N 1 0 376.280 2.864 20 0 GFADRO C[NH+](C)Cc1cc(CNC(=O)c2cc[nH]c(=O)c2Br)ccc1F ZINC000469416827 565016875 /nfs/dbraw/zinc/01/68/75/565016875.db2.gz VKUHBMIXMNCMFA-UHFFFAOYSA-N 1 0 382.233 2.680 20 0 GFADRO CC[C@H](Cn1cncn1)[NH2+]C[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000562084367 565018060 /nfs/dbraw/zinc/01/80/60/565018060.db2.gz IOMBNRYRFAJNLZ-GDBMZVCRSA-N 1 0 378.318 2.935 20 0 GFADRO C[C@H]1C[C@]1([NH2+]CCOc1ccc(S(N)(=O)=O)cc1)c1ccc(Cl)cc1 ZINC000503407801 565018744 /nfs/dbraw/zinc/01/87/44/565018744.db2.gz QPQQFJFWSQQDPK-SCLBCKFNSA-N 1 0 380.897 2.891 20 0 GFADRO C[NH+]1CCC2(CCCN2S(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1 ZINC000535783906 565021459 /nfs/dbraw/zinc/02/14/59/565021459.db2.gz IOGYGWUWZKKZJL-UHFFFAOYSA-N 1 0 378.416 2.834 20 0 GFADRO CCCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@H+](C[C@@H](O)CC(F)(F)F)C1 ZINC000469607817 565022209 /nfs/dbraw/zinc/02/22/09/565022209.db2.gz WGEIMAGKOAESFQ-RYUDHWBXSA-N 1 0 378.357 2.813 20 0 GFADRO CS[C@@H]1CN(C(=O)Cc2c(F)ccc(Br)c2F)C[C@H]1[NH+](C)C ZINC000503538985 565022473 /nfs/dbraw/zinc/02/24/73/565022473.db2.gz OCQGTWUIWJMIFF-CHWSQXEVSA-N 1 0 393.297 2.774 20 0 GFADRO NC(=O)c1ccc(NC(=O)CC[NH2+][C@@H]2CCC[C@H]2OC(F)F)cc1Cl ZINC000503530501 565022541 /nfs/dbraw/zinc/02/25/41/565022541.db2.gz HJEIZCFMIMZJLE-CHWSQXEVSA-N 1 0 375.803 2.517 20 0 GFADRO CCOC(=O)c1cc(C)sc1NC(=O)C[NH2+][C@@H]1CCC[C@H]1OC(F)F ZINC000503531274 565022656 /nfs/dbraw/zinc/02/26/56/565022656.db2.gz WBSSPAJHXVTNPE-VXGBXAGGSA-N 1 0 376.425 2.922 20 0 GFADRO Cc1csc(C(=O)N(C)CC[N@H+](C)C2CC2)c1I ZINC000469637477 565022989 /nfs/dbraw/zinc/02/29/89/565022989.db2.gz LYCCXHHENLBLPY-UHFFFAOYSA-N 1 0 378.279 2.827 20 0 GFADRO COc1ccc(Br)cc1C(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC000562331119 565025081 /nfs/dbraw/zinc/02/50/81/565025081.db2.gz WWRJZPRDPBTOAJ-ZDUSSCGKSA-N 1 0 397.313 2.783 20 0 GFADRO Cc1ccc(Cl)cc1S(=O)(=O)N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000469800646 565027815 /nfs/dbraw/zinc/02/78/15/565027815.db2.gz MMMROVIEPTZPTG-KRWDZBQOSA-N 1 0 386.945 2.914 20 0 GFADRO Cc1cc(Cl)ccc1S(=O)(=O)N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000469801204 565027928 /nfs/dbraw/zinc/02/79/28/565027928.db2.gz OOVLUTLLYWANOZ-KRWDZBQOSA-N 1 0 386.945 2.914 20 0 GFADRO C[N@@H+]1CCCN(C(=O)[C@H](c2cc(Cl)cc(Cl)c2)N2CCOCC2)CC1 ZINC000536085443 565028992 /nfs/dbraw/zinc/02/89/92/565028992.db2.gz MHTZLQWMBINJJA-KRWDZBQOSA-N 1 0 386.323 2.531 20 0 GFADRO COc1cc(Br)c(CN2CCC(OCCC[NH3+])CC2)c(OC)c1 ZINC000469848257 565029486 /nfs/dbraw/zinc/02/94/86/565029486.db2.gz HRLMWHIZEPRKSX-UHFFFAOYSA-N 1 0 387.318 2.796 20 0 GFADRO O=C1CC[C@H](C[NH2+]C2(c3cccc(Br)c3)CCOCC2)CCN1 ZINC000562532556 565032007 /nfs/dbraw/zinc/03/20/07/565032007.db2.gz YSFDTEGIPRSXLZ-AWEZNQCLSA-N 1 0 381.314 2.961 20 0 GFADRO O=C(NCC[NH+]1CCCCC1)C1(c2ccc(I)cc2)CC1 ZINC000504003319 565032737 /nfs/dbraw/zinc/03/27/37/565032737.db2.gz RKQFATFERRZGHA-UHFFFAOYSA-N 1 0 398.288 2.925 20 0 GFADRO O=C(COc1ccc(Cl)cc1Cl)N1CC[NH+](C[C@H]2CCCOC2)CC1 ZINC000469997524 565034777 /nfs/dbraw/zinc/03/47/77/565034777.db2.gz ABMDEIHCMSGXIA-CQSZACIVSA-N 1 0 387.307 2.943 20 0 GFADRO C[C@@H](CO)[N@@H+]1CCCN(C(=O)CCOc2ccc(Cl)cc2Cl)CC1 ZINC000470055942 565036475 /nfs/dbraw/zinc/03/64/75/565036475.db2.gz LBWDEULFBLARKO-ZDUSSCGKSA-N 1 0 375.296 2.677 20 0 GFADRO C[C@@H]1C[N@H+](CCCNC(=O)CCOc2ccccc2Br)CCCO1 ZINC000470099420 565037961 /nfs/dbraw/zinc/03/79/61/565037961.db2.gz CGALSDNEKCSRIR-OAHLLOKOSA-N 1 0 399.329 2.835 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)NCc2nc3c(cccc3Br)[nH]2)C[N@@H+]1C1CC1 ZINC000562667396 565038027 /nfs/dbraw/zinc/03/80/27/565038027.db2.gz IODLBHHLQVWIGB-GHMZBOCLSA-N 1 0 392.301 2.750 20 0 GFADRO CS[C@@H]1CN(CC(=O)Nc2ccc(C)cc2Br)C[C@H]1[NH+](C)C ZINC000536472539 565038231 /nfs/dbraw/zinc/03/82/31/565038231.db2.gz NTPVXHOBNQQPDS-HUUCEWRRSA-N 1 0 386.359 2.673 20 0 GFADRO CS[C@H]1CN(CC(=O)Nc2ccc(C)cc2Br)C[C@H]1[NH+](C)C ZINC000536472531 565038587 /nfs/dbraw/zinc/03/85/87/565038587.db2.gz NTPVXHOBNQQPDS-CABCVRRESA-N 1 0 386.359 2.673 20 0 GFADRO O=C(Nc1cc(Br)cc(C(F)(F)F)c1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000536536999 565040158 /nfs/dbraw/zinc/04/01/58/565040158.db2.gz XABBZGFIJQJIFY-CYBMUJFWSA-N 1 0 392.219 2.796 20 0 GFADRO Cc1cc(F)c(NC(=O)N2CC[C@@H]([NH+](C)C)C2)c(I)c1 ZINC000536561698 565040749 /nfs/dbraw/zinc/04/07/49/565040749.db2.gz JYTSISDDYQTRLX-SNVBAGLBSA-N 1 0 391.228 2.907 20 0 GFADRO CC[N@H+](C)Cc1cccc(C[NH2+]Cc2ccc(S(N)(=O)=O)c(Cl)c2)c1 ZINC000562737146 565040942 /nfs/dbraw/zinc/04/09/42/565040942.db2.gz LXQYZZPLHHFBHB-UHFFFAOYSA-N 1 0 381.929 2.729 20 0 GFADRO COc1ccc(Br)c(CC(=O)NCC2CC[NH+](C3CC3)CC2)c1 ZINC000470322311 565043229 /nfs/dbraw/zinc/04/32/29/565043229.db2.gz IILLQCCZBUGBRS-UHFFFAOYSA-N 1 0 381.314 2.991 20 0 GFADRO Cc1sc(CNC(=O)NC[C@@H]2C[NH2+]CCO2)nc1-c1ccc(Cl)cc1 ZINC000562803202 565043737 /nfs/dbraw/zinc/04/37/37/565043737.db2.gz NRXJSSCZIHJVKB-AWEZNQCLSA-N 1 0 380.901 2.560 20 0 GFADRO C[C@H](NC(=O)N1CCC([C@H]2[NH2+]CC2(C)C)CC1)c1ncc(Br)cn1 ZINC000562818494 565043817 /nfs/dbraw/zinc/04/38/17/565043817.db2.gz QWKLTNVWZIDIFI-SMDDNHRTSA-N 1 0 396.333 2.720 20 0 GFADRO C[C@H](NC(=O)N[C@@H](CO)c1ccc(Br)cc1)C(C)(C)C[NH+](C)C ZINC000504835752 565045053 /nfs/dbraw/zinc/04/50/53/565045053.db2.gz UBNXAYIZOHZXEJ-WFASDCNBSA-N 1 0 386.334 2.758 20 0 GFADRO C[C@H]([NH2+]C[C@H]1CCCN1S(C)(=O)=O)c1ccc(Br)c(F)c1 ZINC000536832987 565047477 /nfs/dbraw/zinc/04/74/77/565047477.db2.gz LSZQIDVOFIFSGM-CMPLNLGQSA-N 1 0 379.295 2.663 20 0 GFADRO C[C@H]([NH2+]C1CCC(S(C)(=O)=O)CC1)c1ccc(-n2cncn2)cc1Cl ZINC000536866958 565048207 /nfs/dbraw/zinc/04/82/07/565048207.db2.gz BQQAVSIIGBSIEA-OPFPJEHXSA-N 1 0 382.917 2.927 20 0 GFADRO C[C@@H]([NH2+]CCC1CCS(=O)(=O)CC1)c1ccc(-n2cncn2)cc1Cl ZINC000536833824 565048399 /nfs/dbraw/zinc/04/83/99/565048399.db2.gz QFOIBTXTFYRXQA-CYBMUJFWSA-N 1 0 382.917 2.786 20 0 GFADRO COCCc1nc(C)c([C@H](C)[NH2+]CCS(=O)(=O)c2ccc(F)cc2)s1 ZINC000536843366 565048459 /nfs/dbraw/zinc/04/84/59/565048459.db2.gz CYMGYYVOMLZFCI-LBPRGKRZSA-N 1 0 386.514 2.904 20 0 GFADRO C[C@@H](Cn1cc(Br)cn1)[NH2+]CCNC(=O)c1ccc(Cl)cc1 ZINC000536862034 565048604 /nfs/dbraw/zinc/04/86/04/565048604.db2.gz GRWQCIIKJVKVAB-NSHDSACASA-N 1 0 385.693 2.707 20 0 GFADRO CC[NH+]1CCN(CC(=O)Nc2cc(Cl)c(OCCOC)c(Cl)c2)CC1 ZINC000536932315 565050543 /nfs/dbraw/zinc/05/05/43/565050543.db2.gz ZMBUGQDPRGUMTB-UHFFFAOYSA-N 1 0 390.311 2.595 20 0 GFADRO [NH3+][C@H]1CCc2ncc(NC(=O)COc3ccccc3Br)cc2C1 ZINC000562977473 565050754 /nfs/dbraw/zinc/05/07/54/565050754.db2.gz XLQOAOKUFFSEQQ-LBPRGKRZSA-N 1 0 376.254 2.678 20 0 GFADRO [NH3+][C@@H]1CCCC[C@H]1NC(=O)NCCNc1ncc(C(F)(F)F)cc1Cl ZINC000562982733 565050814 /nfs/dbraw/zinc/05/08/14/565050814.db2.gz FJUYCHJHOKGEHL-VXGBXAGGSA-N 1 0 379.814 2.735 20 0 GFADRO CCCN(CCC[NH+](C)C)C(=O)Cc1cc2c(cc1Br)OCCO2 ZINC000470666503 565052383 /nfs/dbraw/zinc/05/23/83/565052383.db2.gz JCNSPFCZMIMUCQ-UHFFFAOYSA-N 1 0 399.329 2.953 20 0 GFADRO CN(CC[NH+](C)C)C(=O)Nc1ccc(Cl)c(I)c1 ZINC000563026637 565052637 /nfs/dbraw/zinc/05/26/37/565052637.db2.gz WGDIRIOMVLVKQH-UHFFFAOYSA-N 1 0 381.645 2.970 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H](C)c2ncc(Br)cn2)C[C@H]1C ZINC000563058743 565053327 /nfs/dbraw/zinc/05/33/27/565053327.db2.gz QWTKLTVHEMFEQF-BZPMIXESSA-N 1 0 384.322 2.814 20 0 GFADRO COC[C@@]1(CNC(=O)c2ccccc2SCc2cscn2)CCC[NH2+]1 ZINC000563107417 565056034 /nfs/dbraw/zinc/05/60/34/565056034.db2.gz GAWFMXUFIHPNGA-SFHVURJKSA-N 1 0 377.535 2.934 20 0 GFADRO O=C(CC[NH2+]C[C@@H](CO)Cc1cccc(Br)c1)Nc1cccnc1 ZINC000563138317 565056961 /nfs/dbraw/zinc/05/69/61/565056961.db2.gz OVGMTABZTWPUQD-HNNXBMFYSA-N 1 0 392.297 2.614 20 0 GFADRO OCC1(CC[NH2+]C[C@H](O)COc2ccc(Cl)cc2Br)CC1 ZINC000563138658 565056966 /nfs/dbraw/zinc/05/69/66/565056966.db2.gz SMWZOMXHNTVSIQ-LBPRGKRZSA-N 1 0 378.694 2.594 20 0 GFADRO [NH3+]CCOCCN1CCC[C@H]1c1nc(Cc2ccc(Br)cc2)no1 ZINC000563155263 565057455 /nfs/dbraw/zinc/05/74/55/565057455.db2.gz DUOKOXZUKOVUDS-HNNXBMFYSA-N 1 0 395.301 2.535 20 0 GFADRO O=S1(=O)CC[C@@]2(C1)C[C@H]([NH2+]Cc1ncc(-c3ccccc3)s1)CCO2 ZINC000537385154 565057862 /nfs/dbraw/zinc/05/78/62/565057862.db2.gz JYVAVLMQMXTDOY-QAPCUYQASA-N 1 0 378.519 2.636 20 0 GFADRO CCC[C@H]([NH2+][C@H](C)C(=O)NC[C@H]1CCS(=O)(=O)C1)c1ccc(Cl)cc1 ZINC000537422715 565058089 /nfs/dbraw/zinc/05/80/89/565058089.db2.gz KWHOPAVVYVJGIO-CPUCHLNUSA-N 1 0 386.945 2.710 20 0 GFADRO CCC[C@H]([NH2+][C@H](C)C(=O)NC[C@@H]1CCS(=O)(=O)C1)c1ccc(Cl)cc1 ZINC000537422716 565058240 /nfs/dbraw/zinc/05/82/40/565058240.db2.gz KWHOPAVVYVJGIO-KEYYUXOJSA-N 1 0 386.945 2.710 20 0 GFADRO C[NH+](C)CCOCCNC(=O)COc1ccc2ccccc2c1Br ZINC000537545625 565059235 /nfs/dbraw/zinc/05/92/35/565059235.db2.gz CGQSDXKENRGKTQ-UHFFFAOYSA-N 1 0 395.297 2.676 20 0 GFADRO C[NH+](C)CC1(C(=O)N2CCO[C@@H](c3ccc(F)c(Br)c3)C2)CC1 ZINC000635813708 565076392 /nfs/dbraw/zinc/07/63/92/565076392.db2.gz FTYXQXFXCOMAJJ-OAHLLOKOSA-N 1 0 385.277 2.830 20 0 GFADRO CSc1ccc(OC[C@H](O)C[NH2+]Cc2ccc(C[S@](C)=O)cc2)cc1 ZINC000584347072 565076816 /nfs/dbraw/zinc/07/68/16/565076816.db2.gz YUVMILDTOSTBNJ-NSYGIPOTSA-N 1 0 379.547 2.817 20 0 GFADRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)c1cc(F)c(Cl)c(N)c1Cl ZINC000635830890 565077200 /nfs/dbraw/zinc/07/72/00/565077200.db2.gz TVVIWEADXCWOSP-SECBINFHSA-N 1 0 378.275 2.632 20 0 GFADRO COCC(=O)NC1CC[NH+](CCC(=O)Nc2cc(Cl)ccc2Cl)CC1 ZINC000613687653 565077775 /nfs/dbraw/zinc/07/77/75/565077775.db2.gz GUJDFEPKDOXTRD-UHFFFAOYSA-N 1 0 388.295 2.549 20 0 GFADRO C[S@@](=O)c1cccc(C(=O)NCC2([NH+]3CCSCC3)CCCCC2)c1 ZINC000613774313 565080656 /nfs/dbraw/zinc/08/06/56/565080656.db2.gz FCVSCACHZWFUSZ-RUZDIDTESA-N 1 0 380.579 2.906 20 0 GFADRO C[N@@H+]1CCC[C@H](N2CCN(Cc3c(F)ccc(Br)c3F)CC2)C1 ZINC000684770102 565082803 /nfs/dbraw/zinc/08/28/03/565082803.db2.gz IVNWDZKKSIEOJH-ZDUSSCGKSA-N 1 0 388.300 2.939 20 0 GFADRO C[NH+](C)[C@@H]1C[C@@H](NC(=O)[C@@H]2CCO[C@H]2c2cncc(Br)c2)C1(C)C ZINC000636123597 565091645 /nfs/dbraw/zinc/09/16/45/565091645.db2.gz XMWCMWMSJTYJPX-FPCVCCKLSA-N 1 0 396.329 2.767 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S(=O)(=O)CCN(CC1CC1)C(C)C ZINC000685036998 565094099 /nfs/dbraw/zinc/09/40/99/565094099.db2.gz DAIVHXOHRNWQSD-UHFFFAOYSA-N 1 0 387.567 2.764 20 0 GFADRO C[NH+](C)C[C@@]1(O)CCCN(C(=O)CCOc2ccc(Cl)c(Cl)c2)C1 ZINC000614067132 565094067 /nfs/dbraw/zinc/09/40/67/565094067.db2.gz CGPXZMPYHJQTAY-KRWDZBQOSA-N 1 0 375.296 2.677 20 0 GFADRO CC(C)[N@@H+](C)C[C@H](C)NC(=O)Nc1ccnn1-c1ccc(Br)cn1 ZINC000584749663 565094985 /nfs/dbraw/zinc/09/49/85/565094985.db2.gz YMVBFRIXHXXULV-LBPRGKRZSA-N 1 0 395.305 2.880 20 0 GFADRO O=C(N[C@@H]1CCN(c2cccc(Br)c2)C1)[C@@H]1CCc2nc[nH]c2C1 ZINC000614134123 565098260 /nfs/dbraw/zinc/09/82/60/565098260.db2.gz SPMIUUCHZRCIRY-TZMCWYRMSA-N 1 0 389.297 2.672 20 0 GFADRO CCS(=O)(=O)NCC[NH2+]Cc1csc2c1cccc2Br ZINC000657332016 565098545 /nfs/dbraw/zinc/09/85/45/565098545.db2.gz CIGRJRYVEBQZAM-UHFFFAOYSA-N 1 0 377.329 2.693 20 0 GFADRO Cc1nccn1CCC[NH2+]C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000584834333 565099981 /nfs/dbraw/zinc/09/99/81/565099981.db2.gz JUTGUNJFMLBUKL-HNNXBMFYSA-N 1 0 386.265 2.513 20 0 GFADRO CN(C)C(=O)[C@H]1CC[C@@H](C[NH2+]Cc2cc3cc(Br)ccc3o2)O1 ZINC000657426956 565100161 /nfs/dbraw/zinc/10/01/61/565100161.db2.gz MVCAHEFKYHUQNN-XJKSGUPXSA-N 1 0 381.270 2.921 20 0 GFADRO C[C@H](C(=O)NC1CCN(C(=O)Nc2ccc(Br)cc2)CC1)[NH+](C)C ZINC000636244555 565100584 /nfs/dbraw/zinc/10/05/84/565100584.db2.gz UEMOPBRRBKPJBK-GFCCVEGCSA-N 1 0 397.317 2.512 20 0 GFADRO CN(CC[NH2+]Cc1cc(F)ccc1OC(F)F)S(=O)(=O)c1cccs1 ZINC000657411784 565100522 /nfs/dbraw/zinc/10/05/22/565100522.db2.gz XNFDZCDCOPOPJI-UHFFFAOYSA-N 1 0 394.440 2.899 20 0 GFADRO CN(C)c1cc(Br)cc(C(=O)NC[C@]2([NH+](C)C)CCSC2)c1 ZINC000584830162 565100569 /nfs/dbraw/zinc/10/05/69/565100569.db2.gz LYHVUROMRKWCTA-MRXNPFEDSA-N 1 0 386.359 2.682 20 0 GFADRO COCc1csc(C[NH2+]CCNS(=O)(=O)c2ccc(Cl)cc2F)c1 ZINC000657459141 565101993 /nfs/dbraw/zinc/10/19/93/565101993.db2.gz UURVNYDFTBBJMK-UHFFFAOYSA-N 1 0 392.905 2.755 20 0 GFADRO Cc1ccc(Cl)c(S(=O)(=O)N2C[C@H](C[NH3+])C3(C2)CCOCC3)c1Cl ZINC000584839176 565102132 /nfs/dbraw/zinc/10/21/32/565102132.db2.gz HOUPWYGFQFANPR-LBPRGKRZSA-N 1 0 393.336 2.678 20 0 GFADRO Cc1c(Br)cccc1C[C@@H](CO)C[NH2+]Cc1cnn2c1CCC2 ZINC000657484616 565103007 /nfs/dbraw/zinc/10/30/07/565103007.db2.gz GEYHKTVQUWSTEE-CQSZACIVSA-N 1 0 378.314 2.841 20 0 GFADRO CC[C@H]1C[N@H+](C)CCCN1C(=O)c1c(C)nc2ccc(Br)cn21 ZINC000614341074 565108660 /nfs/dbraw/zinc/10/86/60/565108660.db2.gz GIZXMJYHBGZYME-AWEZNQCLSA-N 1 0 379.302 2.962 20 0 GFADRO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N1CC(C)(C)c2ccc(Br)cc21 ZINC000657592124 565111373 /nfs/dbraw/zinc/11/13/73/565111373.db2.gz QQEGZXIOSZQBDN-LBPRGKRZSA-N 1 0 396.329 2.530 20 0 GFADRO C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1CC(C)(C)c2ccc(Br)cc21 ZINC000657592123 565111378 /nfs/dbraw/zinc/11/13/78/565111378.db2.gz QQEGZXIOSZQBDN-GFCCVEGCSA-N 1 0 396.329 2.530 20 0 GFADRO COc1ccc(N2C[C@H]([NH2+]Cc3cncc(Br)c3)CC2=O)cc1 ZINC000657600336 565112047 /nfs/dbraw/zinc/11/20/47/565112047.db2.gz BXVWLZGLXJJSLL-CQSZACIVSA-N 1 0 376.254 2.748 20 0 GFADRO O=C(Cc1sccc1Br)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000614452235 565113048 /nfs/dbraw/zinc/11/30/48/565113048.db2.gz VMURBZBKEKMHCV-CYBMUJFWSA-N 1 0 387.343 2.766 20 0 GFADRO CCn1cc(Br)cc1C(=O)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000614441053 565113397 /nfs/dbraw/zinc/11/33/97/565113397.db2.gz XIXOMNGWWVJWDV-HNNXBMFYSA-N 1 0 384.318 2.597 20 0 GFADRO CCn1cc(C[NH2+]C2CCN(Cc3ccccc3Br)CC2)nn1 ZINC000657623946 565114113 /nfs/dbraw/zinc/11/41/13/565114113.db2.gz KTGGXUSGSSGOPV-UHFFFAOYSA-N 1 0 378.318 2.815 20 0 GFADRO CC(C)[N@H+](C)C[C@@H](C)NS(=O)(=O)c1cc(F)c(Br)cc1F ZINC000685603749 565114605 /nfs/dbraw/zinc/11/46/05/565114605.db2.gz IKANRGGUKBLESO-SECBINFHSA-N 1 0 385.274 2.734 20 0 GFADRO CC[C@H](CNCc1cn(-c2ccccc2Br)nn1)[NH+]1CCCC1 ZINC000685612850 565115695 /nfs/dbraw/zinc/11/56/95/565115695.db2.gz TXCMGSQGPPHZQR-OAHLLOKOSA-N 1 0 378.318 2.994 20 0 GFADRO O=C(Cc1ccc(Br)cc1F)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000614491151 565116522 /nfs/dbraw/zinc/11/65/22/565116522.db2.gz PSUNCPKSYGYUBC-AWEZNQCLSA-N 1 0 399.304 2.702 20 0 GFADRO CS(=O)(=O)C1(C[NH2+]Cc2ccc(Cl)cc2-n2cncn2)CCCCC1 ZINC000657657423 565116759 /nfs/dbraw/zinc/11/67/59/565116759.db2.gz VZVUMWXQWAYYHH-UHFFFAOYSA-N 1 0 382.917 2.758 20 0 GFADRO O=C(NCC[N@H+]1CC[C@@H](O)C1)N[C@H](c1ccsc1)c1ccc(Cl)cc1 ZINC000636638806 565118633 /nfs/dbraw/zinc/11/86/33/565118633.db2.gz DXYSAVAPWQXWNF-SJORKVTESA-N 1 0 379.913 2.857 20 0 GFADRO CN1C[C@@H](NC(=O)N[C@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)CCC1=O ZINC000636819337 565126220 /nfs/dbraw/zinc/12/62/20/565126220.db2.gz SFYQCHTYJBZGGQ-SWLSCSKDSA-N 1 0 387.311 2.516 20 0 GFADRO CCS(=O)(=O)C1(C[NH2+]Cc2cnn(-c3ccc(Br)cc3)c2)CC1 ZINC000657757161 565127770 /nfs/dbraw/zinc/12/77/70/565127770.db2.gz CEHCUCMUVDCGKL-UHFFFAOYSA-N 1 0 398.326 2.692 20 0 GFADRO CC[C@@H](Cc1ccc(Br)cc1)[NH2+]C1CCN(CC(=O)N(C)C)CC1 ZINC000657879663 565135280 /nfs/dbraw/zinc/13/52/80/565135280.db2.gz MLNQLOAAFCQADF-KRWDZBQOSA-N 1 0 396.373 2.912 20 0 GFADRO C[NH+](C)C[C@H](CO)NC(=O)c1ccc(Oc2cccc(Cl)c2Cl)nc1 ZINC000614850081 565135542 /nfs/dbraw/zinc/13/55/42/565135542.db2.gz RSFJTLZZKNFNGR-GFCCVEGCSA-N 1 0 384.263 2.833 20 0 GFADRO C[C@H]([NH2+]C[C@@H](O)CS(=O)(=O)c1cccs1)c1ccc(C(F)F)nc1 ZINC000657928720 565137292 /nfs/dbraw/zinc/13/72/92/565137292.db2.gz BMOMASZTVHDUPP-CMPLNLGQSA-N 1 0 376.450 2.566 20 0 GFADRO CC[C@@H](Cc1ccc(Br)cc1)[NH2+][C@@H]1CCN(c2cnn(C)c2)C1=O ZINC000657917604 565137512 /nfs/dbraw/zinc/13/75/12/565137512.db2.gz BUOZALGIIORBDE-DOTOQJQBSA-N 1 0 391.313 2.899 20 0 GFADRO C[NH+]1CCC(N(Cc2ccccc2Br)C(=O)c2ncc[nH]2)CC1 ZINC000614981929 565141433 /nfs/dbraw/zinc/14/14/33/565141433.db2.gz MXCOYAFILOXQIM-UHFFFAOYSA-N 1 0 377.286 2.909 20 0 GFADRO COc1ccc(C(=O)N2CCC([N@@H+]3CCOC[C@@H]3C)CC2)cc1Br ZINC000615092487 565144970 /nfs/dbraw/zinc/14/49/70/565144970.db2.gz XBFLRNPPUWCBGS-ZDUSSCGKSA-N 1 0 397.313 2.783 20 0 GFADRO COCC[N@H+](C)CCNC(=O)CSc1cc(C)c(Br)cc1C ZINC000588934892 565145281 /nfs/dbraw/zinc/14/52/81/565145281.db2.gz RARFWBBVWUJOGK-UHFFFAOYSA-N 1 0 389.359 2.852 20 0 GFADRO COc1ccc(C[C@H](CO)C[NH2+][C@@H]2CCCn3nccc32)cc1Br ZINC000658029666 565146570 /nfs/dbraw/zinc/14/65/70/565146570.db2.gz SFNZMAASLGFMDW-GOEBONIOSA-N 1 0 394.313 2.930 20 0 GFADRO CN(C(=O)NC[C@@H]1CCC[NH2+]C1)[C@H]1CCOc2ccc(Br)cc21 ZINC000637239917 565146879 /nfs/dbraw/zinc/14/68/79/565146879.db2.gz FPKZJUXWEPFTNE-DOMZBBRYSA-N 1 0 382.302 2.914 20 0 GFADRO CC[C@H](CNS(C)(=O)=O)[NH2+][C@H](CC)Cc1ccc(Br)cc1 ZINC000658026344 565146958 /nfs/dbraw/zinc/14/69/58/565146958.db2.gz DMDXPLQGIGMUPC-HUUCEWRRSA-N 1 0 377.348 2.688 20 0 GFADRO CO[C@H](C[NH2+][C@H](C)CC(=O)Nc1cccc(Br)c1)[C@@H]1CCOC1 ZINC000658079266 565148894 /nfs/dbraw/zinc/14/88/94/565148894.db2.gz VHTVISNYXOYXFD-XJKCOSOUSA-N 1 0 385.302 2.807 20 0 GFADRO COc1ccccc1C[C@@H](C)[NH2+]CCNC(=O)c1ccc(Br)cn1 ZINC000658091981 565149546 /nfs/dbraw/zinc/14/95/46/565149546.db2.gz KIHYHZGSRZFMOY-CYBMUJFWSA-N 1 0 392.297 2.803 20 0 GFADRO Cc1ccc([C@H](C)[NH2+]CCNC(=O)c2ccc(Br)cn2)c(C)n1 ZINC000658092752 565150097 /nfs/dbraw/zinc/15/00/97/565150097.db2.gz QPAAUNQCOPTSBM-LBPRGKRZSA-N 1 0 377.286 2.937 20 0 GFADRO C[C@@H]([NH2+]C[C@@H](OC1CCCC1)C(F)(F)F)c1ccc(S(N)(=O)=O)cc1 ZINC000658125434 565152001 /nfs/dbraw/zinc/15/20/01/565152001.db2.gz SZQZEKSKUKDGRI-IAQYHMDHSA-N 1 0 380.432 2.875 20 0 GFADRO C[C@@H]([NH2+]C[C@]1(OCCO)CCOC1)c1ccc(Br)c(Cl)c1 ZINC000658147392 565152862 /nfs/dbraw/zinc/15/28/62/565152862.db2.gz ZTGKUSPDANLZFN-IAQYHMDHSA-N 1 0 378.694 2.921 20 0 GFADRO NC(=O)CC[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc(Br)cc2)C1 ZINC000589154516 565153445 /nfs/dbraw/zinc/15/34/45/565153445.db2.gz JQPVDKZJYOMBSL-ZDUSSCGKSA-N 1 0 382.302 2.755 20 0 GFADRO C[N@@H+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000615277726 565154301 /nfs/dbraw/zinc/15/43/01/565154301.db2.gz XUKPQDNRALFLJM-MLHJIOFPSA-N 1 0 393.325 2.874 20 0 GFADRO C[N@@H+]1CCC[C@H]1[C@H]1COCCN1C(=O)[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000615273349 565154433 /nfs/dbraw/zinc/15/44/33/565154433.db2.gz BUAGZIOSAOMKPR-XWTMOSNGSA-N 1 0 393.325 2.874 20 0 GFADRO C[N@@H+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)c1c[nH]c2cccc(Br)c12 ZINC000615269699 565154534 /nfs/dbraw/zinc/15/45/34/565154534.db2.gz MSBWAOGBAZZPGY-CVEARBPZSA-N 1 0 392.297 2.866 20 0 GFADRO O=C([C@H]1CC[N@@H+](Cc2cccc(I)c2)C1)N1CCCC1 ZINC000589205378 565155304 /nfs/dbraw/zinc/15/53/04/565155304.db2.gz OCSSSMUNINZGHV-AWEZNQCLSA-N 1 0 384.261 2.736 20 0 GFADRO O=S1(=O)CC[C@@H]([NH2+]C[C@@H](CO)CC2CC2)c2cc(Br)ccc21 ZINC000658252515 565156122 /nfs/dbraw/zinc/15/61/22/565156122.db2.gz LHZJLWVVQVESIE-SWLSCSKDSA-N 1 0 388.327 2.666 20 0 GFADRO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]Cc1c(C2CCC2)cnn1C ZINC000658269263 565157843 /nfs/dbraw/zinc/15/78/43/565157843.db2.gz VLKQMFGJBCPURA-LBPRGKRZSA-N 1 0 379.302 2.790 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2ccc(F)cc2Br)C1 ZINC000658259405 565157911 /nfs/dbraw/zinc/15/79/11/565157911.db2.gz BLORJXOPFHJYAZ-NSHDSACASA-N 1 0 386.265 2.516 20 0 GFADRO C[N@@H+]1CCC[C@]2(CCN(C(=O)c3cc(Br)cc4[nH]c(=O)[nH]c43)C2)C1 ZINC000615356598 565159196 /nfs/dbraw/zinc/15/91/96/565159196.db2.gz QRFSYRMUSQSYGL-KRWDZBQOSA-N 1 0 393.285 2.589 20 0 GFADRO C[N@H+](CCCO)C1CCN(C(=O)NCc2csc(C(F)(F)F)c2)CC1 ZINC000637524226 565159882 /nfs/dbraw/zinc/15/98/82/565159882.db2.gz MGDKIQBATONFRC-UHFFFAOYSA-N 1 0 379.448 2.755 20 0 GFADRO COc1cc([C@@H](C)[NH2+]CC2(O)CCC(F)(F)CC2)ccc1S(C)(=O)=O ZINC000658322099 565160548 /nfs/dbraw/zinc/16/05/48/565160548.db2.gz CTCDLRYJFYWEAQ-GFCCVEGCSA-N 1 0 377.453 2.690 20 0 GFADRO [NH3+]C[C@@H]1CCN(S(=O)(=O)c2cc(Cl)c(Cl)cc2Br)C1 ZINC000658364897 565161564 /nfs/dbraw/zinc/16/15/64/565161564.db2.gz IDKMHWYJVOVQME-ZETCQYMHSA-N 1 0 388.114 2.725 20 0 GFADRO CC[NH2+]CCNS(=O)(=O)c1cc(Cl)c(Cl)cc1Br ZINC000658365249 565161673 /nfs/dbraw/zinc/16/16/73/565161673.db2.gz LNOIYKOHJUVIIE-UHFFFAOYSA-N 1 0 376.103 2.644 20 0 GFADRO CCN(C(=O)C(=O)Nc1ccc(Br)c(Cl)c1)[C@@H]1CC[N@H+](C)C1 ZINC000658363309 565161978 /nfs/dbraw/zinc/16/19/78/565161978.db2.gz VDFDAQXHDVHNFK-LLVKDONJSA-N 1 0 388.693 2.594 20 0 GFADRO CCCN([C@H]1CC[NH2+]C1)S(=O)(=O)c1cc(Cl)cc(Br)c1 ZINC000658367694 565162352 /nfs/dbraw/zinc/16/23/52/565162352.db2.gz PTCFBVZEOHHAPF-LBPRGKRZSA-N 1 0 381.723 2.865 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCCN(S(=O)(=O)c2cc(Cl)cc(Br)c2)C1 ZINC000658369305 565162408 /nfs/dbraw/zinc/16/24/08/565162408.db2.gz WDBDPOVTWPOKQY-UWVGGRQHSA-N 1 0 381.723 2.850 20 0 GFADRO CC[NH2+]CC1CCN(S(=O)(=O)Cc2cc(F)ccc2Br)CC1 ZINC000658370623 565162533 /nfs/dbraw/zinc/16/25/33/565162533.db2.gz ODOWRFWVZHYIDZ-UHFFFAOYSA-N 1 0 393.322 2.740 20 0 GFADRO O=S(=O)(c1cc(Cl)ccc1OC(F)(F)F)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000658374526 565163438 /nfs/dbraw/zinc/16/34/38/565163438.db2.gz XDDJQGVRJBMHNQ-LLVKDONJSA-N 1 0 384.807 2.754 20 0 GFADRO CCCOc1ccc(Br)cc1S(=O)(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000658375573 565163627 /nfs/dbraw/zinc/16/36/27/565163627.db2.gz JGHMVKDUEAIEFE-VXGBXAGGSA-N 1 0 391.331 2.596 20 0 GFADRO [NH3+][C@@H]1CCC[C@H]2CN(S(=O)(=O)c3cc(Cl)cc(Br)c3)C[C@H]21 ZINC000658376156 565163764 /nfs/dbraw/zinc/16/37/64/565163764.db2.gz QQLACBAQWSIMER-CUOATXAZSA-N 1 0 393.734 2.850 20 0 GFADRO [NH3+]CC[C@H]1CCCCN1S(=O)(=O)Cc1cc(F)ccc1Br ZINC000658378932 565164928 /nfs/dbraw/zinc/16/49/28/565164928.db2.gz CQZXKXAPWJRPKV-CYBMUJFWSA-N 1 0 379.295 2.621 20 0 GFADRO C[C@@H]1CCCN(S(=O)(=O)Cc2cc(F)ccc2Br)[C@@H]1CC[NH3+] ZINC000658384202 565165928 /nfs/dbraw/zinc/16/59/28/565165928.db2.gz VICHGVMKNDVICH-IAQYHMDHSA-N 1 0 393.322 2.867 20 0 GFADRO [NH3+][C@@H]1CN(S(=O)(=O)c2ccc3cc(Br)ccc3c2)CC[C@H]1F ZINC000658408207 565168055 /nfs/dbraw/zinc/16/80/55/565168055.db2.gz NWMFEFDQAJVBPV-HUUCEWRRSA-N 1 0 387.274 2.662 20 0 GFADRO Cc1c2cc(C(=O)NC[C@@H]3CCCC[N@@H+]3CCO)[nH]c2ccc1Br ZINC000615656421 565168765 /nfs/dbraw/zinc/16/87/65/565168765.db2.gz FZKPAQBUKBHVQS-ZDUSSCGKSA-N 1 0 394.313 2.815 20 0 GFADRO C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CNC(=O)c1ccc(Cl)c(Cl)c1)C2 ZINC000615626328 565169514 /nfs/dbraw/zinc/16/95/14/565169514.db2.gz LCWMHKDJCHQWES-SFHVURJKSA-N 1 0 384.307 2.668 20 0 GFADRO CCN(C(=O)C(=O)Nc1cccc(C)c1Br)[C@H]1CC[N@H+](CC)C1 ZINC000658468402 565171100 /nfs/dbraw/zinc/17/11/00/565171100.db2.gz OAFSOAQDTYDTER-ZDUSSCGKSA-N 1 0 382.302 2.639 20 0 GFADRO Cc1c(Br)csc1C(=O)Nc1ccc(N2CC[NH2+]CC2)cn1 ZINC000637823494 565173973 /nfs/dbraw/zinc/17/39/73/565173973.db2.gz JEHLLTPQLMXBNC-UHFFFAOYSA-N 1 0 381.299 2.876 20 0 GFADRO CC(C)c1cc(Br)ccc1NC(=O)C(=O)N(C)CC1C[NH+](C)C1 ZINC000658539616 565175835 /nfs/dbraw/zinc/17/58/35/565175835.db2.gz FBCKUFTZORDITD-UHFFFAOYSA-N 1 0 382.302 2.531 20 0 GFADRO C[N@@H+]1C[C@H]2CCN(C(=O)CSCc3ccc(Br)cc3F)[C@@H]2C1 ZINC000590044656 565175903 /nfs/dbraw/zinc/17/59/03/565175903.db2.gz KUQJXYKPKVOEEG-IAQYHMDHSA-N 1 0 387.318 2.984 20 0 GFADRO C[N@@H+](Cc1ccccc1)C[C@@H](N)C(=O)NCc1ccc(Br)s1 ZINC000637931542 565177093 /nfs/dbraw/zinc/17/70/93/565177093.db2.gz NBTRSFLYEIHUDY-CQSZACIVSA-N 1 0 382.327 2.586 20 0 GFADRO CC(=O)NCc1ccc(-c2nc(NC(=O)CCC3C[NH2+]C3)sc2C)s1 ZINC000637932795 565177574 /nfs/dbraw/zinc/17/75/74/565177574.db2.gz VFAYCGWSPSGRSI-UHFFFAOYSA-N 1 0 378.523 2.754 20 0 GFADRO O=C(NCc1ccc(Cl)c(Cl)c1)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000658615300 565178077 /nfs/dbraw/zinc/17/80/77/565178077.db2.gz PZMVDAWFYKTFMR-AWEZNQCLSA-N 1 0 384.307 2.554 20 0 GFADRO COc1cccc(C[C@H]([NH3+])C(=O)NCc2cc(Br)ccc2OC)c1 ZINC000637966280 565179243 /nfs/dbraw/zinc/17/92/43/565179243.db2.gz PJGAPDFTHRSSAQ-INIZCTEOSA-N 1 0 393.281 2.653 20 0 GFADRO COc1ccc(Br)cc1[C@@H]1CCCN1C(=O)c1cnc(C[NH3+])nc1 ZINC000637969646 565179283 /nfs/dbraw/zinc/17/92/83/565179283.db2.gz PRLAQCVQJULGID-AWEZNQCLSA-N 1 0 391.269 2.684 20 0 GFADRO [NH3+][C@@H]1CC=C(C(=O)Nc2ccc(CCn3cc(Br)cn3)cc2)C1 ZINC000638013527 565181497 /nfs/dbraw/zinc/18/14/97/565181497.db2.gz GJRSKTRHFHBBJW-OAHLLOKOSA-N 1 0 375.270 2.874 20 0 GFADRO O=C(COc1ccc(Br)cn1)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000638225318 565189028 /nfs/dbraw/zinc/18/90/28/565189028.db2.gz WWBODAIYKSBJQZ-UHFFFAOYSA-N 1 0 380.217 2.646 20 0 GFADRO Cc1cc(Br)c(C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)cc1Br ZINC000638212931 565189033 /nfs/dbraw/zinc/18/90/33/565189033.db2.gz AXGVBIMQXCWRPF-AOOOYVTPSA-N 1 0 388.103 2.811 20 0 GFADRO O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1sc2ncccc2c1Cl ZINC000638219170 565189067 /nfs/dbraw/zinc/18/90/67/565189067.db2.gz IMZGZFKVLGYKJB-SNVBAGLBSA-N 1 0 392.834 2.516 20 0 GFADRO COc1ccc(Br)c(CNC(=O)NCC[N@@H+]2CCC[C@H](C)C2)c1 ZINC000616080740 565189550 /nfs/dbraw/zinc/18/95/50/565189550.db2.gz ZVOFDYCYXMYTBR-ZDUSSCGKSA-N 1 0 384.318 2.989 20 0 GFADRO C[NH+](C)CCn1cc(NC(=O)c2c[nH]c3ccc(Br)cc23)cn1 ZINC000590504130 565190250 /nfs/dbraw/zinc/19/02/50/565190250.db2.gz GQKBKBASLWBPGF-UHFFFAOYSA-N 1 0 376.258 2.941 20 0 GFADRO NS(=O)(=O)c1ccc(CNCc2ccccc2C[NH+]2CCCCC2)s1 ZINC000638311729 565191210 /nfs/dbraw/zinc/19/12/10/565191210.db2.gz AWDQEAYDSNAENH-UHFFFAOYSA-N 1 0 379.551 2.671 20 0 GFADRO O=C(c1cc(Br)cc2nc[nH]c21)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000638327287 565192377 /nfs/dbraw/zinc/19/23/77/565192377.db2.gz CTOKHUFUPKBEMR-XHDPSFHLSA-N 1 0 377.286 2.930 20 0 GFADRO CC(C)[C@H](C[NH2+]Cc1nc2cc(Br)ccc2o1)N1CCN(C)CC1 ZINC000638353338 565193665 /nfs/dbraw/zinc/19/36/65/565193665.db2.gz RGLQOSNCURNWJU-INIZCTEOSA-N 1 0 395.345 2.952 20 0 GFADRO CC(C)(C)n1cc(Br)c(C(=O)NCc2ccc3c[nH+]cn3c2)n1 ZINC000616215522 565195415 /nfs/dbraw/zinc/19/54/15/565195415.db2.gz LUBAGZIZDOPTPY-UHFFFAOYSA-N 1 0 376.258 2.978 20 0 GFADRO CC[C@@H]1C[C@@H]([NH2+]CC(=O)Nc2ccc(I)cc2)CCO1 ZINC000590653590 565195615 /nfs/dbraw/zinc/19/56/15/565195615.db2.gz WZONSAHNCBNSAM-UONOGXRCSA-N 1 0 388.249 2.777 20 0 GFADRO COC(=O)c1nn(-c2ccc(Cl)c(Cl)c2)cc1C[NH2+]CC1(CO)CC1 ZINC000590646487 565195642 /nfs/dbraw/zinc/19/56/42/565195642.db2.gz ZHRHKGNWRQLHQS-UHFFFAOYSA-N 1 0 384.263 2.828 20 0 GFADRO CC(C)CN(Cc1ccccc1Br)C(=O)c1cn(CCC[NH3+])nn1 ZINC000638445529 565196770 /nfs/dbraw/zinc/19/67/70/565196770.db2.gz MRGOMQDPLMPQHR-UHFFFAOYSA-N 1 0 394.317 2.688 20 0 GFADRO O=C(C[C@@H]1C[NH2+]CCO1)N1CC[C@H](Sc2ccc(Br)cc2)C1 ZINC000638473309 565197917 /nfs/dbraw/zinc/19/79/17/565197917.db2.gz JYIQXNAATGHITP-HIFRSBDPSA-N 1 0 385.327 2.521 20 0 GFADRO C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)CCO1 ZINC000658997020 565198129 /nfs/dbraw/zinc/19/81/29/565198129.db2.gz DSIFKTRZTBYLBZ-HNNXBMFYSA-N 1 0 388.295 2.501 20 0 GFADRO O=C(NCC12CC(C1)C[NH2+]2)Nc1cc(Br)ccc1-n1cccn1 ZINC000658994395 565198233 /nfs/dbraw/zinc/19/82/33/565198233.db2.gz ZIPJODVDGOGAFD-UHFFFAOYSA-N 1 0 376.258 2.508 20 0 GFADRO CSc1ccc(NC(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)cc1Br ZINC000638468533 565198375 /nfs/dbraw/zinc/19/83/75/565198375.db2.gz RSJQJLSTNCKWDZ-LLVKDONJSA-N 1 0 396.314 2.939 20 0 GFADRO [NH3+]C[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H](Sc2ccc(Br)cc2)C1 ZINC000638474157 565198382 /nfs/dbraw/zinc/19/83/82/565198382.db2.gz PVAIQAKTKZZHGZ-ILXRZTDVSA-N 1 0 385.327 2.506 20 0 GFADRO Cc1cc(Br)c(Cl)cc1NC(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000659029797 565199262 /nfs/dbraw/zinc/19/92/62/565199262.db2.gz ZQRUOPTZEWQCQU-TVQRCGJNSA-N 1 0 376.682 2.991 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)Nc2nnc(-c3cc(Cl)cc(Cl)c3)s2)CCO1 ZINC000659031004 565199417 /nfs/dbraw/zinc/19/94/17/565199417.db2.gz RSGZCAOTALFALE-NSHDSACASA-N 1 0 388.280 2.703 20 0 GFADRO Cc1cc(C(=O)NCC2([NH3+])CCOCC2)c2ccc(Br)cc2n1 ZINC000638539266 565201926 /nfs/dbraw/zinc/20/19/26/565201926.db2.gz LRMOUNACGWMZOB-UHFFFAOYSA-N 1 0 378.270 2.543 20 0 GFADRO C[C@@H]([NH2+]CCC1CS(=O)(=O)C1)c1ccc(F)c(I)c1 ZINC000590778466 565204301 /nfs/dbraw/zinc/20/43/01/565204301.db2.gz LJNGEMKOSVSQDV-SECBINFHSA-N 1 0 397.253 2.516 20 0 GFADRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)c1ccc(NC(=O)CSc2cccs2)cc1 ZINC000638769258 565209373 /nfs/dbraw/zinc/20/93/73/565209373.db2.gz NMDXSBWNECXQEW-SWLSCSKDSA-N 1 0 375.519 2.959 20 0 GFADRO CO[C@@]1(C[NH2+]C2CCN(Cc3ccc(Br)cc3)CC2)CCOC1 ZINC000638747671 565209526 /nfs/dbraw/zinc/20/95/26/565209526.db2.gz DXHTXLCZKZBEHR-GOSISDBHSA-N 1 0 383.330 2.809 20 0 GFADRO O=C(COc1ccc(Cl)c(Cl)c1)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000638776775 565210286 /nfs/dbraw/zinc/21/02/86/565210286.db2.gz AGSLJUNQHVHJBQ-HNNXBMFYSA-N 1 0 387.307 2.989 20 0 GFADRO O=C(Cc1cccc(Br)c1)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000638776339 565210621 /nfs/dbraw/zinc/21/06/21/565210621.db2.gz BFALZHIKSKXLRZ-QGZVFWFLSA-N 1 0 381.314 2.609 20 0 GFADRO C[C@H]1CN(C(=O)Cc2ccc(Br)c(Br)c2)C[C@H](C)[NH2+]1 ZINC000659297630 565211407 /nfs/dbraw/zinc/21/14/07/565211407.db2.gz WLQTVKXIJYUMDX-UWVGGRQHSA-N 1 0 390.119 2.963 20 0 GFADRO COCC1(CNC(=O)CCc2ccc(OC)cc2Br)CC[NH2+]CC1 ZINC000659309901 565211612 /nfs/dbraw/zinc/21/16/12/565211612.db2.gz PSQOZUXIIAFWAQ-UHFFFAOYSA-N 1 0 399.329 2.523 20 0 GFADRO O=S1(=O)CCC(CC[NH2+]Cc2c(C(F)(F)F)nc3n2CCCC3)CC1 ZINC000638799806 565211790 /nfs/dbraw/zinc/21/17/90/565211790.db2.gz QHVRDYPBCKXRCU-UHFFFAOYSA-N 1 0 379.448 2.543 20 0 GFADRO COC[C@@]1(CNC(=O)Cc2c(Cl)cccc2Br)CCC[NH2+]1 ZINC000659308833 565211999 /nfs/dbraw/zinc/21/19/99/565211999.db2.gz UOTAWABNQBGPNW-HNNXBMFYSA-N 1 0 375.694 2.530 20 0 GFADRO Cc1cc(Br)c2c(c1)CCN(C(=O)c1c[nH]nc1[C@H]1CC[NH2+]C1)C2 ZINC000638822734 565213418 /nfs/dbraw/zinc/21/34/18/565213418.db2.gz BTLFZLUPIFJKRK-ZDUSSCGKSA-N 1 0 389.297 2.756 20 0 GFADRO C[C@H](CC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)n1cc(Br)cn1 ZINC000659349489 565214757 /nfs/dbraw/zinc/21/47/57/565214757.db2.gz HKVZEYVBGBKWNR-KBRIMQKVSA-N 1 0 391.313 2.859 20 0 GFADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)c1[nH]c2ccccc2c1Br ZINC000591061236 565214909 /nfs/dbraw/zinc/21/49/09/565214909.db2.gz VFRBCHSAXJOVCG-LBPRGKRZSA-N 1 0 380.286 2.771 20 0 GFADRO O=C(C[C@@H]1CSCC[NH2+]1)Nc1cc(Cl)ccc1C(=O)[C@H]1CCCOC1 ZINC000659386170 565215148 /nfs/dbraw/zinc/21/51/48/565215148.db2.gz MYZOSZQZCSZSKG-GXTWGEPZSA-N 1 0 382.913 2.983 20 0 GFADRO CN(C)[C@H](C[NH2+]Cc1cnn2cc(Br)cnc12)c1cccs1 ZINC000638862789 565215235 /nfs/dbraw/zinc/21/52/35/565215235.db2.gz JCWQDGKLYQVRMK-CYBMUJFWSA-N 1 0 380.315 2.946 20 0 GFADRO [NH3+][C@@H]1CN(C(=O)NCC2(c3ccc(Br)cc3)CCC2)CC[C@H]1F ZINC000659441385 565217702 /nfs/dbraw/zinc/21/77/02/565217702.db2.gz SWPPNSZNLZIUAA-HUUCEWRRSA-N 1 0 384.293 2.952 20 0 GFADRO CCOc1cc(Br)c(CC(=O)N2C[C@@H]([NH3+])C[C@@H]2C)cc1OCC ZINC000638938237 565217583 /nfs/dbraw/zinc/21/75/83/565217583.db2.gz ABBXLDDWTHGORF-AAEUAGOBSA-N 1 0 385.302 2.737 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)NCC1([NH3+])CCCC1 ZINC000659448779 565218282 /nfs/dbraw/zinc/21/82/82/565218282.db2.gz VGOGSCXLKSUQHS-UHFFFAOYSA-N 1 0 397.317 2.657 20 0 GFADRO C[C@@H](NC(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1)c1ncc(Br)cn1 ZINC000659495860 565219054 /nfs/dbraw/zinc/21/90/54/565219054.db2.gz IQVUZLUSMCSZJK-OCCSQVGLSA-N 1 0 396.333 2.721 20 0 GFADRO O=C(NCCC[NH2+]C1CC1)N1CCOC[C@@H]1c1ccc(Br)cc1 ZINC000659506372 565219212 /nfs/dbraw/zinc/21/92/12/565219212.db2.gz RDMNLUYFOKJUFD-MRXNPFEDSA-N 1 0 382.302 2.674 20 0 GFADRO Cc1ccc(Br)c(C(=O)Nc2cc(N3CC[NH2+]CC3)ccn2)c1 ZINC000638985346 565219659 /nfs/dbraw/zinc/21/96/59/565219659.db2.gz DXFJKWNMDKNJGV-UHFFFAOYSA-N 1 0 375.270 2.814 20 0 GFADRO O=C(NCc1ccc(Cl)c(Cl)c1)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000659537385 565219970 /nfs/dbraw/zinc/21/99/70/565219970.db2.gz FSRRZODEHIWHOD-ZDUSSCGKSA-N 1 0 399.244 2.629 20 0 GFADRO O=C([C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21)N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000639025162 565220958 /nfs/dbraw/zinc/22/09/58/565220958.db2.gz YRMJSSJTWKMXLY-SDCWGCLJSA-N 1 0 375.310 2.935 20 0 GFADRO CN1CC[C@H]([NH2+]CCCn2ccnn2)C[C@H]1c1ccc(Br)cc1 ZINC000639039800 565221714 /nfs/dbraw/zinc/22/17/14/565221714.db2.gz WRJNSCQWQVGQHJ-IRXDYDNUSA-N 1 0 378.318 2.856 20 0 GFADRO COC(=O)c1cc(NC(=O)N[C@H]2CCC[C@@H]([NH3+])C2)c(Br)cc1F ZINC000591287279 565221895 /nfs/dbraw/zinc/22/18/95/565221895.db2.gz KMRBKJVDVAHVFK-BDAKNGLRSA-N 1 0 388.237 2.766 20 0 GFADRO C[C@@H]([NH3+])CNC(=O)Nc1ccc(I)cc1Br ZINC000591288414 565222009 /nfs/dbraw/zinc/22/20/09/565222009.db2.gz HWWCUFKYTVGJMU-ZCFIWIBFSA-N 1 0 398.042 2.522 20 0 GFADRO Cc1cc(I)cc(NC(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000591306831 565222604 /nfs/dbraw/zinc/22/26/04/565222604.db2.gz NMLGJHIGKVVVKO-LEWSCRJBSA-N 1 0 385.249 2.801 20 0 GFADRO CO[C@@H](C[NH2+]C[C@@H](CO)Cc1ccccc1Br)C1CCOCC1 ZINC000639106369 565225684 /nfs/dbraw/zinc/22/56/84/565225684.db2.gz VFGBILMFSUGELD-KSSFIOAISA-N 1 0 386.330 2.631 20 0 GFADRO CS(=O)(=O)c1ccc(C[NH2+]Cc2cccn(C(F)F)c2=O)cc1Cl ZINC000639104714 565226326 /nfs/dbraw/zinc/22/63/26/565226326.db2.gz LYJANKFXHMFWKO-UHFFFAOYSA-N 1 0 376.812 2.590 20 0 GFADRO CS(=O)(=O)NCC[C@H]1CCCC[N@@H+]1CCSc1ccc(F)cc1F ZINC000659846351 565226970 /nfs/dbraw/zinc/22/69/70/565226970.db2.gz PXMSHCGCQRMFFI-CQSZACIVSA-N 1 0 378.510 2.851 20 0 GFADRO C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCC[N@@H+]2Cc2ccc(S(N)(=O)=O)c(Cl)c2)C1 ZINC000639134238 565229108 /nfs/dbraw/zinc/22/91/08/565229108.db2.gz HTTYOSHHXNKMGG-WNOSKKOXSA-N 1 0 386.945 2.749 20 0 GFADRO Ic1cccc(OCCCN2CC[C@H]3CC[NH2+][C@@H]3C2)c1 ZINC000591448517 565230574 /nfs/dbraw/zinc/23/05/74/565230574.db2.gz JVLMRLVRZNFUEH-CZUORRHYSA-N 1 0 386.277 2.744 20 0 GFADRO CN(C[C@@H]1CCC[N@H+](Cc2ccccc2CC(F)(F)F)C1)S(C)(=O)=O ZINC000639156893 565230715 /nfs/dbraw/zinc/23/07/15/565230715.db2.gz LVZGQILLWQFHEL-AWEZNQCLSA-N 1 0 378.460 2.895 20 0 GFADRO CO[C@]1(C[NH2+][C@@H](C)c2ccc(Br)cc2OCCCO)CCOC1 ZINC000639197687 565231884 /nfs/dbraw/zinc/23/18/84/565231884.db2.gz LEKOGKDJRIXLND-GUYCJALGSA-N 1 0 388.302 2.666 20 0 GFADRO C[N@H+](C[C@H](O)COc1ccc(C(F)(F)F)cc1)CC1(O)CCSCC1 ZINC000659922855 565231939 /nfs/dbraw/zinc/23/19/39/565231939.db2.gz OSXPQUCPUVYWLG-AWEZNQCLSA-N 1 0 379.444 2.635 20 0 GFADRO Cn1nc2cc(Br)ccc2c1C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000617341090 565232211 /nfs/dbraw/zinc/23/22/11/565232211.db2.gz KKQPKKCBDXDJNJ-LBPRGKRZSA-N 1 0 379.302 2.938 20 0 GFADRO O=C1N[C@@H]2CCCC[C@@H]2C[C@@H]1[NH+]1CCC(n2cc(Br)cn2)CC1 ZINC000659917298 565232594 /nfs/dbraw/zinc/23/25/94/565232594.db2.gz STRLVWPYUUUTRU-WQVCFCJDSA-N 1 0 381.318 2.730 20 0 GFADRO F[C@@H]1C[NH2+][C@H](CN[C@@H]2CCCOc3ccc(I)cc32)C1 ZINC000591581175 565233267 /nfs/dbraw/zinc/23/32/67/565233267.db2.gz MIOIRPIKWWXFQT-VHRBIJSZSA-N 1 0 390.240 2.795 20 0 GFADRO Brc1cnc2c(C[NH2+][C@@H]3CCO[C@H](c4ccncc4)C3)cnn2c1 ZINC000639232290 565233292 /nfs/dbraw/zinc/23/32/92/565233292.db2.gz GFEXGIZHLAQKMX-CVEARBPZSA-N 1 0 388.269 2.897 20 0 GFADRO Cc1csc(C(=O)N2CCC[C@@H](C)[C@@H]2C[NH3+])c1I ZINC000591676388 565236361 /nfs/dbraw/zinc/23/63/61/565236361.db2.gz PDLLRJLMSUOROR-SCZZXKLOSA-N 1 0 378.279 2.861 20 0 GFADRO OC[C@H](C[NH2+]C1CC(n2cccn2)C1)Cc1cc(Br)ccc1F ZINC000639253988 565236396 /nfs/dbraw/zinc/23/63/96/565236396.db2.gz UAURHNIRVXXUPH-JQRITLKVSA-N 1 0 382.277 2.929 20 0 GFADRO Brc1cnc2c(C[NH2+][C@@H]3CCO[C@@H](c4ccccn4)C3)cnn2c1 ZINC000639253161 565236528 /nfs/dbraw/zinc/23/65/28/565236528.db2.gz RCZCKNMQJQDXQL-GDBMZVCRSA-N 1 0 388.269 2.897 20 0 GFADRO C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCN2C(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000617414633 565236925 /nfs/dbraw/zinc/23/69/25/565236925.db2.gz NIICCXIBKHJPLG-CJNGLKHVSA-N 1 0 384.307 2.808 20 0 GFADRO CC(=O)Nc1cc(F)c(S(=O)(=O)N2CCCC[C@@H]2C[NH+](C)C)cc1Cl ZINC000660008453 565237583 /nfs/dbraw/zinc/23/75/83/565237583.db2.gz BUOODBXHAOIADG-GFCCVEGCSA-N 1 0 391.896 2.542 20 0 GFADRO Cc1cnc(NC2CC[NH+]([C@@H]3CCOC3)CC2)c(I)c1 ZINC000591821502 565241649 /nfs/dbraw/zinc/24/16/49/565241649.db2.gz KGWGCFCWLYLIJL-CYBMUJFWSA-N 1 0 387.265 2.660 20 0 GFADRO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)c1cc(F)c(F)cc1Br ZINC000617506203 565243621 /nfs/dbraw/zinc/24/36/21/565243621.db2.gz FMKHYQIDWCZCQU-NSHDSACASA-N 1 0 392.288 2.729 20 0 GFADRO CCN1CC[C@H]([NH+]2CCC(C(=O)Nc3cccc(Br)c3)CC2)C1=O ZINC000660057508 565245326 /nfs/dbraw/zinc/24/53/26/565245326.db2.gz XZIBUGXOYZKOEZ-INIZCTEOSA-N 1 0 394.313 2.720 20 0 GFADRO C[C@@](O)(C[C@H](O)C[NH2+]C1(c2cccc(Br)c2)CCOCC1)C1CC1 ZINC000639539422 565249723 /nfs/dbraw/zinc/24/97/23/565249723.db2.gz XABXJELUHQQPBH-ZWKOTPCHSA-N 1 0 398.341 2.956 20 0 GFADRO NC(=O)CCC1CC[NH+](C[C@H](O)COc2cc(Cl)cc(Cl)c2)CC1 ZINC000639555080 565249849 /nfs/dbraw/zinc/24/98/49/565249849.db2.gz RNZKGSWAHFYAOF-HNNXBMFYSA-N 1 0 375.296 2.711 20 0 GFADRO O[C@H](COc1cc(Cl)cc(Cl)c1)C[NH+]1CCC(Cn2cncn2)CC1 ZINC000639599680 565250673 /nfs/dbraw/zinc/25/06/73/565250673.db2.gz UWOPIFVGMNJLJG-INIZCTEOSA-N 1 0 385.295 2.737 20 0 GFADRO CC(=O)NCC[N@H+](Cc1ccc(Br)s1)C[C@H]1CCO[C@H]1C ZINC000639629412 565252651 /nfs/dbraw/zinc/25/26/51/565252651.db2.gz VKDGZDYVMOWOFT-WCQYABFASA-N 1 0 375.332 2.874 20 0 GFADRO CN(CCC[NH+](C)C)CCNC(=O)c1cc(F)c(Br)cc1Cl ZINC000617763891 565256289 /nfs/dbraw/zinc/25/62/89/565256289.db2.gz AHWMIGOIIAIFML-UHFFFAOYSA-N 1 0 394.716 2.855 20 0 GFADRO CN(CCC[NH+](C)C)CCNC(=O)c1c(Cl)cccc1Br ZINC000617763303 565256647 /nfs/dbraw/zinc/25/66/47/565256647.db2.gz MFGYLIASRJCSCL-UHFFFAOYSA-N 1 0 376.726 2.716 20 0 GFADRO CC[N@H+]1[C@H](C)CN(CC(=O)N(C)Cc2cc(Br)cs2)C[C@@H]1C ZINC000639743091 565258589 /nfs/dbraw/zinc/25/85/89/565258589.db2.gz GXSJOMQCQNXYKR-BETUJISGSA-N 1 0 388.375 2.884 20 0 GFADRO O=C(CC[N@H+]1CC[C@@H](Oc2cncc(Br)c2)C1)Nc1cccnc1 ZINC000639776461 565260015 /nfs/dbraw/zinc/26/00/15/565260015.db2.gz MRGRYJQCGSSQTF-OAHLLOKOSA-N 1 0 391.269 2.721 20 0 GFADRO C[NH+](C)CCC[C@H]1CN(S(=O)(=O)c2cc(Cl)sc2Cl)CCO1 ZINC000660156334 565260300 /nfs/dbraw/zinc/26/03/00/565260300.db2.gz FRWLMVBDNBEUII-JTQLQIEISA-N 1 0 387.354 2.786 20 0 GFADRO C[C@@H](C[NH+](C)C)[C@@H]1CCCCN1C(=O)Nc1cc(Br)cn(C)c1=O ZINC000639786354 565261818 /nfs/dbraw/zinc/26/18/18/565261818.db2.gz JJSBAPOQCSUTOA-WFASDCNBSA-N 1 0 399.333 2.732 20 0 GFADRO C[NH+](C)CCC[C@@H]1CN(S(=O)(=O)c2c(Cl)cccc2Cl)CCO1 ZINC000660159601 565261755 /nfs/dbraw/zinc/26/17/55/565261755.db2.gz VUXBSGWYEBGWQJ-GFCCVEGCSA-N 1 0 381.325 2.725 20 0 GFADRO C[NH+](C)CCC[C@@H]1CN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CCO1 ZINC000660159808 565261900 /nfs/dbraw/zinc/26/19/00/565261900.db2.gz XUTUJPOTGHIYFA-GFCCVEGCSA-N 1 0 381.325 2.725 20 0 GFADRO C[NH+](C)CCC[C@@H]1CN(S(=O)(=O)c2ccc(Cl)c(F)c2Cl)CCO1 ZINC000660156904 565261930 /nfs/dbraw/zinc/26/19/30/565261930.db2.gz NAHGIEUJHFVZPD-LLVKDONJSA-N 1 0 399.315 2.864 20 0 GFADRO COC(=O)[C@H](CNC(=O)[C@](C)([NH3+])c1ccc(Br)cc1)CC(C)C ZINC000592174283 565262524 /nfs/dbraw/zinc/26/25/24/565262524.db2.gz LBVFRCIJARTCQW-YVEFUNNKSA-N 1 0 385.302 2.575 20 0 GFADRO CC(C)(C)c1csc(CC2CC[NH+](CCN3CCCS3(=O)=O)CC2)n1 ZINC000639811541 565263401 /nfs/dbraw/zinc/26/34/01/565263401.db2.gz ASIPDGYCEJQMQB-UHFFFAOYSA-N 1 0 385.599 2.731 20 0 GFADRO CC(C)[C@H]1CN(C(=O)c2cc(F)ccc2I)CC[NH2+]1 ZINC000592241446 565264463 /nfs/dbraw/zinc/26/44/63/565264463.db2.gz BXORFXMJKVECCY-CYBMUJFWSA-N 1 0 376.213 2.500 20 0 GFADRO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)c1ccc(I)cc1Cl ZINC000592334620 565269898 /nfs/dbraw/zinc/26/98/98/565269898.db2.gz CDHLSEUVMPRJIC-WPRPVWTQSA-N 1 0 396.631 2.717 20 0 GFADRO O=c1c(I)cc(Cl)cn1CCC[NH+]1CCCCC1 ZINC000592357516 565271511 /nfs/dbraw/zinc/27/15/11/565271511.db2.gz IYDACGKAEVYFDI-UHFFFAOYSA-N 1 0 380.657 2.982 20 0 GFADRO CS[C@@H]1CN(C(=O)c2ncc(Br)s2)C[C@@H]1[NH+]1CCCC1 ZINC000618020659 565271732 /nfs/dbraw/zinc/27/17/32/565271732.db2.gz SMIUJIJYHMDBQA-VHSXEESVSA-N 1 0 376.345 2.557 20 0 GFADRO CC[N@@H+]1CCN(C[C@@H](O)COc2ccc(Cl)cc2Br)C[C@H]1C ZINC000592386929 565273618 /nfs/dbraw/zinc/27/36/18/565273618.db2.gz VANMQWUDOYPURM-TZMCWYRMSA-N 1 0 391.737 2.868 20 0 GFADRO C[N@@H+](Cc1cccc(Br)c1OC[C@H]1CCCO1)C[C@H]1CNC(=O)C1 ZINC000660380625 565274154 /nfs/dbraw/zinc/27/41/54/565274154.db2.gz MPLJCSGSGKIIPL-UKRRQHHQSA-N 1 0 397.313 2.575 20 0 GFADRO CC(C)(C(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)c1cccc(Br)c1 ZINC000592411671 565275606 /nfs/dbraw/zinc/27/56/06/565275606.db2.gz ZZRRUYLGJFTCHB-IAGOWNOFSA-N 1 0 395.341 2.784 20 0 GFADRO O=C(CC[N@H+]1C[C@@H](CO)[C@H](C(F)(F)F)C1)Nc1ccc(Br)cc1 ZINC000640042415 565275847 /nfs/dbraw/zinc/27/58/47/565275847.db2.gz QLDMSJJVEAGJFN-GXFFZTMASA-N 1 0 395.219 2.880 20 0 GFADRO C[NH2+]C[C@@H]1C[C@H](F)CN1Cc1c(F)ccc(I)c1F ZINC000592435023 565276327 /nfs/dbraw/zinc/27/63/27/565276327.db2.gz QGUKTPKPPQCTFE-IUCAKERBSA-N 1 0 384.183 2.701 20 0 GFADRO CN1CC(=O)N(CC[NH+]2CCC(c3ccc(Br)cc3)CC2)C1=O ZINC000660481776 565277371 /nfs/dbraw/zinc/27/73/71/565277371.db2.gz YSLNQNOBZKWBQZ-UHFFFAOYSA-N 1 0 380.286 2.523 20 0 GFADRO C[C@H](NC(=O)c1cnn2c1[C@@H](C[NH3+])CCC2)c1cccc(Br)c1 ZINC000592486142 565278632 /nfs/dbraw/zinc/27/86/32/565278632.db2.gz SMIJEYFHFGCDKX-WCQYABFASA-N 1 0 377.286 2.973 20 0 GFADRO CN(Cc1ccccc1Br)C(=O)c1cnn2c1[C@H](C[NH3+])CCC2 ZINC000592478952 565278996 /nfs/dbraw/zinc/27/89/96/565278996.db2.gz MVRXLWRZCWGCQH-LBPRGKRZSA-N 1 0 377.286 2.754 20 0 GFADRO COc1ccc(Br)c(NC(=O)c2cnn3c2[C@H](C[NH3+])CCC3)c1 ZINC000592504669 565279529 /nfs/dbraw/zinc/27/95/29/565279529.db2.gz DKTVRSXSOVRRPD-JTQLQIEISA-N 1 0 379.258 2.743 20 0 GFADRO COC(=O)C[C@@H]([NH2+]C[C@@H]1CNc2ccnn2C1)c1cccc(Br)c1 ZINC000592513127 565279560 /nfs/dbraw/zinc/27/95/60/565279560.db2.gz YDVUXNAOFMOTRP-IUODEOHRSA-N 1 0 393.285 2.581 20 0 GFADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)NC(C)(C)c1ccc(Br)cc1 ZINC000592499096 565279718 /nfs/dbraw/zinc/27/97/18/565279718.db2.gz CRSSMJQWHLYHEF-AWEZNQCLSA-N 1 0 397.361 2.619 20 0 GFADRO COC(=O)[C@H]1C[NH2+]CCCN1C(=O)[C@H](C)Sc1cc(Cl)ccc1Cl ZINC000592550021 565282203 /nfs/dbraw/zinc/28/22/03/565282203.db2.gz CRDQZLIZMRHABQ-GXFFZTMASA-N 1 0 391.320 2.838 20 0 GFADRO Cc1nn(C)c(NC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1Br ZINC000640165082 565282419 /nfs/dbraw/zinc/28/24/19/565282419.db2.gz HIGNBMBOSOAGNK-OCCSQVGLSA-N 1 0 396.333 2.972 20 0 GFADRO C[C@@H](NC(=O)C[NH2+][C@@H]1CCCn2nccc21)c1ccc(Br)cc1 ZINC000640217784 565287996 /nfs/dbraw/zinc/28/79/96/565287996.db2.gz QEUWKGFKSUXFNE-IUODEOHRSA-N 1 0 377.286 2.948 20 0 GFADRO C[C@@H](c1nc2cc(Cl)ccc2[nH]1)[N@H+](C)C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000660710147 565290645 /nfs/dbraw/zinc/29/06/45/565290645.db2.gz PCYLCWDVPDPFND-QWHCGFSZSA-N 1 0 384.933 2.881 20 0 GFADRO Cc1ccc(CN(C[C@@H]2CCCO2)C(=O)NCC2C[NH2+]C2)c(Br)c1 ZINC000640245982 565292696 /nfs/dbraw/zinc/29/26/96/565292696.db2.gz BJVLCLIJWCFJDZ-INIZCTEOSA-N 1 0 396.329 2.668 20 0 GFADRO O=C(Nc1nn(CC(F)(F)F)cc1Cl)N1CC[NH+](C2CCCC2)CC1 ZINC000640292946 565293819 /nfs/dbraw/zinc/29/38/19/565293819.db2.gz QNOJNYJOYAOEJU-UHFFFAOYSA-N 1 0 379.814 3.191 20 0 GFADRO CN1CC(=O)N(CC[N@@H+]2CCCC[C@H]2Cc2cccc(Br)c2)C1=O ZINC000660836779 565294797 /nfs/dbraw/zinc/29/47/97/565294797.db2.gz KPACCHBDHGSIAD-INIZCTEOSA-N 1 0 394.313 2.740 20 0 GFADRO COCC[NH+]1CCC(NC(=O)NCc2sc(C)cc2Br)CC1 ZINC000660837355 565295538 /nfs/dbraw/zinc/29/55/38/565295538.db2.gz KMEMEAFXLSAODX-UHFFFAOYSA-N 1 0 390.347 2.729 20 0 GFADRO C[N@H+](CC(=O)N1CCOC[C@H]1c1ccc(Br)cc1)[C@@H]1CCSC1 ZINC000618365006 565295938 /nfs/dbraw/zinc/29/59/38/565295938.db2.gz SWMPXBOZWKEEMV-CVEARBPZSA-N 1 0 399.354 2.786 20 0 GFADRO CCCN(C(=O)c1ccc(F)cc1I)[C@H]1CC[N@H+](C)C1 ZINC000592830921 565299318 /nfs/dbraw/zinc/29/93/18/565299318.db2.gz IEOYTNVXGCYFHN-LBPRGKRZSA-N 1 0 390.240 2.987 20 0 GFADRO CCCN(C(=O)c1cc(Br)cc(C(=O)OC)c1)[C@H]1CC[N@H+](C)C1 ZINC000592828150 565300075 /nfs/dbraw/zinc/30/00/75/565300075.db2.gz DKGGCSRTVMWNFD-HNNXBMFYSA-N 1 0 383.286 2.792 20 0 GFADRO COC(=O)[C@H]1C[NH2+]CCCN1C(=O)c1csc(-c2ccc(Cl)s2)n1 ZINC000592962433 565305547 /nfs/dbraw/zinc/30/55/47/565305547.db2.gz FVLXZXIMRMHNJJ-SNVBAGLBSA-N 1 0 385.898 2.502 20 0 GFADRO CCC[N@@H+]1CC[C@@H](NC(=O)N[C@H]2COc3cc(F)c(Br)cc32)C1 ZINC000661136076 565308898 /nfs/dbraw/zinc/30/88/98/565308898.db2.gz HVYOVBODHMSTHV-YGRLFVJLSA-N 1 0 386.265 2.805 20 0 GFADRO Cc1ccc(NC(=O)[C@@H](C)N2CC[C@H](Cn3ccnn3)C2)c(Br)c1 ZINC000661144179 565310600 /nfs/dbraw/zinc/31/06/00/565310600.db2.gz DPCXMTDUQTVCHH-KGLIPLIRSA-N 1 0 392.301 2.698 20 0 GFADRO COC[C@@H]([NH2+]CC(=O)N[C@H](C)c1ccc(Br)cc1)C1CCOCC1 ZINC000661158562 565311450 /nfs/dbraw/zinc/31/14/50/565311450.db2.gz BQAZDUWWXADCPE-CXAGYDPISA-N 1 0 399.329 2.658 20 0 GFADRO COC[C@@H]([NH2+]CC(=O)N(C)Cc1ccc(Cl)c(Cl)c1)C1CCOCC1 ZINC000661161528 565311681 /nfs/dbraw/zinc/31/16/81/565311681.db2.gz XBEJCFYCCPRELE-QGZVFWFLSA-N 1 0 389.323 2.983 20 0 GFADRO CC[N@H+]1[C@H](C)CN(C(=O)[C@@H]2CCO[C@H]2c2cncc(Br)c2)C[C@@H]1C ZINC000640609830 565320156 /nfs/dbraw/zinc/32/01/56/565320156.db2.gz XTIPOIBVLJSUOX-GFOFROLCSA-N 1 0 396.329 2.863 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)N[C@@H](CO)c1ccc(Br)cc1 ZINC000661404074 565322694 /nfs/dbraw/zinc/32/26/94/565322694.db2.gz SJJGXYVMDXQRIK-GJZGRUSLSA-N 1 0 384.318 2.655 20 0 GFADRO [NH3+][C@H](c1cn(CC(=O)Nc2c(Cl)cccc2Cl)nn1)C1CCOCC1 ZINC000640772116 565325122 /nfs/dbraw/zinc/32/51/22/565325122.db2.gz RUYZEXPJXJETTL-HNNXBMFYSA-N 1 0 384.267 2.650 20 0 GFADRO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)NC(C)(C)COc1ncc(Cl)cc1Cl ZINC000640835470 565329582 /nfs/dbraw/zinc/32/95/82/565329582.db2.gz CFKAQEBBXHMVQX-GXFFZTMASA-N 1 0 375.300 2.986 20 0 GFADRO C[C@H](NC(=O)Cn1cc([C@@H]([NH3+])C(C)(C)C)nn1)c1ccc(Br)cc1 ZINC000640846631 565330691 /nfs/dbraw/zinc/33/06/91/565330691.db2.gz CHQJZXUKQKPFJE-MEDUHNTESA-N 1 0 394.317 2.964 20 0 GFADRO CN(Cc1ccccc1Br)C(=O)C[N@@H+]1CCC[C@](O)(C2CC2)C1 ZINC000661637174 565331442 /nfs/dbraw/zinc/33/14/42/565331442.db2.gz NFKPYUACKPHBIF-GOSISDBHSA-N 1 0 381.314 2.644 20 0 GFADRO C[C@@H](C(=O)NC(C)(C)C)n1cc([C@H]([NH3+])c2ccc(Br)cc2)nn1 ZINC000640882936 565334283 /nfs/dbraw/zinc/33/42/83/565334283.db2.gz WLBWXFRTRYHTCC-IINYFYTJSA-N 1 0 380.290 2.564 20 0 GFADRO Cc1ccc(NC(=O)[C@@H](C)n2cc(C[C@H]3CC[NH2+]C3)nn2)c(Br)c1 ZINC000640886288 565334786 /nfs/dbraw/zinc/33/47/86/565334786.db2.gz HXQKJALOHAFYNZ-CHWSQXEVSA-N 1 0 392.301 2.701 20 0 GFADRO CCC[C@@H]([NH3+])c1cn(CC(=O)Nc2c(F)cc(F)cc2Br)nn1 ZINC000640894882 565335245 /nfs/dbraw/zinc/33/52/45/565335245.db2.gz DEKLQCIGPIDWCR-LLVKDONJSA-N 1 0 388.216 2.757 20 0 GFADRO CCc1noc([C@H](C)n2cc([C@@H]([NH3+])c3ccc(Br)cc3)nn2)n1 ZINC000640933080 565337354 /nfs/dbraw/zinc/33/73/54/565337354.db2.gz CNIRWBSNMMUTEQ-XPTSAGLGSA-N 1 0 377.246 2.643 20 0 GFADRO CCN(CC)C(=O)[C@H](C)n1cc([C@H]([NH3+])c2ccc(Br)cc2)nn1 ZINC000640919306 565337824 /nfs/dbraw/zinc/33/78/24/565337824.db2.gz CQSLJRVIAIYKHT-XHDPSFHLSA-N 1 0 380.290 2.518 20 0 GFADRO [NH3+][C@@H](c1cn(CCO[C@@H]2CCCCO2)nn1)c1ccc(Br)cc1 ZINC000640940647 565338422 /nfs/dbraw/zinc/33/84/22/565338422.db2.gz FIOBVWSHEJIMPV-HZPDHXFCSA-N 1 0 381.274 2.632 20 0 GFADRO [NH3+]C1CCN(CCc2cn(Cc3ccc(Br)cc3Cl)nn2)CC1 ZINC000641015615 565342717 /nfs/dbraw/zinc/34/27/17/565342717.db2.gz SFNRVNTWXHRNKM-UHFFFAOYSA-N 1 0 398.736 2.708 20 0 GFADRO O=C(N[C@H]1CCC[NH2+]CC1)N1CCO[C@@H](c2cccc(Br)c2)C1 ZINC000641053221 565343468 /nfs/dbraw/zinc/34/34/68/565343468.db2.gz QSKUVYJQYBXZQN-JKSUJKDBSA-N 1 0 382.302 2.674 20 0 GFADRO CN(C)C(=O)N(C)[C@@H]1CC[N@H+](CCOc2cc(F)cc(Br)c2)C1 ZINC000662010617 565345344 /nfs/dbraw/zinc/34/53/44/565345344.db2.gz GOKYHXKYSCGOBM-CQSZACIVSA-N 1 0 388.281 2.655 20 0 GFADRO CN(CCC[NH3+])Cc1cn(Cc2nc(-c3ccccc3Cl)cs2)nn1 ZINC000641113935 565346858 /nfs/dbraw/zinc/34/68/58/565346858.db2.gz OEUXASNDGWLQAN-UHFFFAOYSA-N 1 0 376.917 2.884 20 0 GFADRO O=C1CCCN1C[C@@H]1CC[N@@H+](CCOc2cc(F)cc(Br)c2)C1 ZINC000662050693 565347627 /nfs/dbraw/zinc/34/76/27/565347627.db2.gz KTKMWSBTXJVPST-CYBMUJFWSA-N 1 0 385.277 2.911 20 0 GFADRO COCC[C@@H]([NH3+])Cc1cn([C@H]2CCCc3ccc(Br)cc32)nn1 ZINC000641123748 565348096 /nfs/dbraw/zinc/34/80/96/565348096.db2.gz XFPWPJGHDFEDBJ-PBHICJAKSA-N 1 0 379.302 2.873 20 0 GFADRO Brc1ccc2[nH]c(Cn3cc(C[C@H]4CCC[NH2+]C4)nn3)nc2c1 ZINC000641161858 565351219 /nfs/dbraw/zinc/35/12/19/565351219.db2.gz FWKHBBZDFUYUTC-LLVKDONJSA-N 1 0 375.274 2.507 20 0 GFADRO O[C@H](COc1c(Cl)cccc1Cl)Cn1cc(C[C@H]2CCC[NH2+]C2)nn1 ZINC000641201864 565353579 /nfs/dbraw/zinc/35/35/79/565353579.db2.gz GTYJUQDWZAOPSJ-OCCSQVGLSA-N 1 0 385.295 2.567 20 0 GFADRO NC(=O)[C@@H](c1cccc(Br)c1)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662295704 565359394 /nfs/dbraw/zinc/35/93/94/565359394.db2.gz WMFBHFZMQHXHHN-NVXWUHKLSA-N 1 0 380.330 2.687 20 0 GFADRO C[C@H](C[C@H](C)[NH3+])NC(=O)Cc1ccc(Br)c(Br)c1 ZINC000662825067 565386645 /nfs/dbraw/zinc/38/66/45/565386645.db2.gz YLNLPEAROBBSRI-DTWKUNHWSA-N 1 0 378.108 2.996 20 0 GFADRO C[NH+](C)CCC[C@H]1CN(C[C@H](O)COc2cc(Cl)ccc2Cl)CCO1 ZINC000662321197 565360578 /nfs/dbraw/zinc/36/05/78/565360578.db2.gz ZHAVIPXFEKTWCS-HOTGVXAUSA-N 1 0 391.339 2.776 20 0 GFADRO NC(=O)[C@H](c1ccc(Br)cc1)N1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000662312311 565360816 /nfs/dbraw/zinc/36/08/16/565360816.db2.gz YBGNMRRYGBRESF-RYQLBKOJSA-N 1 0 379.298 2.868 20 0 GFADRO [NH3+][C@@H](Cc1ccccc1)[C@@H](O)CN1CCc2sc(Br)cc2C1 ZINC000662309779 565360834 /nfs/dbraw/zinc/36/08/34/565360834.db2.gz DLDQNTWEWISZMD-GJZGRUSLSA-N 1 0 381.339 2.800 20 0 GFADRO C[C@]1(CS(=O)(=O)NCC2CC[NH+](Cc3cccs3)CC2)CC1(F)F ZINC000641307879 565360964 /nfs/dbraw/zinc/36/09/64/565360964.db2.gz LAHNASRSQDHXST-OAHLLOKOSA-N 1 0 378.510 2.925 20 0 GFADRO CCC[N@@H+]1CC[C@H](NC(=O)C[C@@H](NC(C)=O)c2ccc(Br)cc2)C1 ZINC000619893351 565362051 /nfs/dbraw/zinc/36/20/51/565362051.db2.gz GVAZBHXRXOCHQW-DLBZAZTESA-N 1 0 396.329 2.617 20 0 GFADRO N[C@@H](C(=O)N1CCN(c2ccccc2F)CC1)c1ccccc1Br ZINC000662349588 565362337 /nfs/dbraw/zinc/36/23/37/565362337.db2.gz FUFPESXJXCCGOE-QGZVFWFLSA-N 1 0 392.272 2.937 20 0 GFADRO CCC[N@@H+]1CC[C@H](NC(=O)c2cc(=O)[nH]c3ccc(Br)cc32)C1 ZINC000619899030 565362614 /nfs/dbraw/zinc/36/26/14/565362614.db2.gz KBFHQDKESJSCER-LBPRGKRZSA-N 1 0 378.270 2.917 20 0 GFADRO C[C@@H](CNC(=O)c1sc2c(c1Br)CNC2)C[NH+]1CCCCC1 ZINC000662395031 565364615 /nfs/dbraw/zinc/36/46/15/565364615.db2.gz PBROTSAVSSAWAD-NSHDSACASA-N 1 0 386.359 2.966 20 0 GFADRO C[C@@H]1CN(C(=O)Cc2ccc(Br)c(Br)c2)CC[C@H]1[NH3+] ZINC000662419836 565367457 /nfs/dbraw/zinc/36/74/57/565367457.db2.gz OQUNHHMXHREBMM-NOZJJQNGSA-N 1 0 390.119 2.950 20 0 GFADRO O=C(NCCC1CC[NH2+]CC1)c1cc(F)ccc1I ZINC000593918645 565367868 /nfs/dbraw/zinc/36/78/68/565367868.db2.gz HXBULDBSBIOEGZ-UHFFFAOYSA-N 1 0 376.213 2.550 20 0 GFADRO CN(CCOc1ccc(Br)cc1)C(=O)c1cc(C(C)(C)[NH3+])no1 ZINC000662445072 565368536 /nfs/dbraw/zinc/36/85/36/565368536.db2.gz NMTIODZQSXSCRX-UHFFFAOYSA-N 1 0 382.258 2.782 20 0 GFADRO CN(Cc1ccc(Br)cc1)C(=O)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC000662443404 565369143 /nfs/dbraw/zinc/36/91/43/565369143.db2.gz LQXZNRPTDQTVKS-HNNXBMFYSA-N 1 0 392.301 2.627 20 0 GFADRO CC[NH+](CC)C[C@H]1CCN(C(=O)c2sc3c(c2Br)CNC3)C1 ZINC000662481533 565371694 /nfs/dbraw/zinc/37/16/94/565371694.db2.gz IHVZAZJCOYZOQW-LLVKDONJSA-N 1 0 386.359 2.918 20 0 GFADRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)c2sc3c(c2Br)CNC3)C1 ZINC000662499168 565372996 /nfs/dbraw/zinc/37/29/96/565372996.db2.gz WUCLGIPJPGSPIY-NSHDSACASA-N 1 0 386.359 2.822 20 0 GFADRO N[C@H](C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)c1ccccc1Br ZINC000662505966 565373030 /nfs/dbraw/zinc/37/30/30/565373030.db2.gz WRHNBMVODLPKSI-BVGQSLNGSA-N 1 0 392.341 2.924 20 0 GFADRO CN(Cc1csc(Br)c1)C(=O)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC000662521802 565375091 /nfs/dbraw/zinc/37/50/91/565375091.db2.gz IHRYWYGCEXYVQL-LBPRGKRZSA-N 1 0 398.330 2.689 20 0 GFADRO CC1(C)CN(C(=O)Cc2ccc(Br)c(Br)c2)CC[NH2+]1 ZINC000662572560 565377494 /nfs/dbraw/zinc/37/74/94/565377494.db2.gz NVPSZWKYTWTQAX-UHFFFAOYSA-N 1 0 390.119 2.965 20 0 GFADRO C[NH2+]Cc1ccccc1CNC(=O)c1sc2c(c1Br)CNC2 ZINC000662582531 565377899 /nfs/dbraw/zinc/37/78/99/565377899.db2.gz FOVDGQFEBVOWED-UHFFFAOYSA-N 1 0 380.311 2.763 20 0 GFADRO C[C@@H](CCN1CC[NH+](C)CC1)Nc1ncnc(C(F)(F)F)c1Br ZINC000641496875 565377972 /nfs/dbraw/zinc/37/79/72/565377972.db2.gz NXSQDKPMAVFIHJ-JTQLQIEISA-N 1 0 396.255 2.696 20 0 GFADRO Cc1c(Br)cncc1C(=O)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000662580874 565378113 /nfs/dbraw/zinc/37/81/13/565378113.db2.gz DARNOSFGLSDOBD-HEHGZKQESA-N 1 0 382.302 2.511 20 0 GFADRO C[C@H](CNC(=O)[C@]1(C(F)(F)F)CC[NH2+]C1)Oc1cccc(Br)c1 ZINC000662633036 565379831 /nfs/dbraw/zinc/37/98/31/565379831.db2.gz XIDSGKMQCBGWRC-YGRLFVJLSA-N 1 0 395.219 2.875 20 0 GFADRO Cc1[nH]c(=O)c(C(=O)Nc2ccc([C@@H]3C[NH2+]CCO3)cc2)cc1Br ZINC000662684154 565381967 /nfs/dbraw/zinc/38/19/67/565381967.db2.gz BARRRWVOTIZGLH-HNNXBMFYSA-N 1 0 392.253 2.771 20 0 GFADRO CC1(C)CN(C(=O)C2C[C@@H]3C[NH2+]C[C@H](C2)C3=O)c2cc(Br)ccc21 ZINC000662693024 565382250 /nfs/dbraw/zinc/38/22/50/565382250.db2.gz RZHBYTRATGNCRS-YHWZYXNKSA-N 1 0 391.309 2.888 20 0 GFADRO O=C(CCc1ncc(-c2ccccc2Br)o1)NCC12CC(C1)C[NH2+]2 ZINC000662720724 565383693 /nfs/dbraw/zinc/38/36/93/565383693.db2.gz JQWBSUNSABYMEI-UHFFFAOYSA-N 1 0 390.281 2.905 20 0 GFADRO O=C(N1CCC([N@@H+]2CC[C@H](O)C2)CC1)C1(c2ccccc2Br)CC1 ZINC000620479270 565384822 /nfs/dbraw/zinc/38/48/22/565384822.db2.gz RGSGWTSERMXSBQ-HNNXBMFYSA-N 1 0 393.325 2.538 20 0 GFADRO Cc1sc(Br)c(C(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)c1C ZINC000620478170 565385237 /nfs/dbraw/zinc/38/52/37/565385237.db2.gz TUWUZXUUPNZEFG-ZDUSSCGKSA-N 1 0 387.343 2.799 20 0 GFADRO O=C(N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)C1([NH2+]C2CC2)CCC1 ZINC000662797716 565386078 /nfs/dbraw/zinc/38/60/78/565386078.db2.gz ACGNPPBKGQBCQB-OAHLLOKOSA-N 1 0 382.291 2.890 20 0 GFADRO O=C(NC[C@H]1CCN(c2ccccc2Cl)C1)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662846589 565386629 /nfs/dbraw/zinc/38/66/29/565386629.db2.gz OKFDVOFEWAXHFD-WBMJQRKESA-N 1 0 375.822 2.825 20 0 GFADRO CN(CCCC[NH+]1CCCCC1)C(=O)c1cnn2cc(Br)cnc12 ZINC000641672921 565392960 /nfs/dbraw/zinc/39/29/60/565392960.db2.gz DRYHAZDSGHGYRH-UHFFFAOYSA-N 1 0 394.317 2.830 20 0 GFADRO COCC[C@H](CO)[NH2+]Cc1cc(Br)ccc1OCc1ccccn1 ZINC000641764068 565398797 /nfs/dbraw/zinc/39/87/97/565398797.db2.gz MWKHHTCEXURZSJ-MRXNPFEDSA-N 1 0 395.297 2.910 20 0 GFADRO Cc1cc(Br)cc(Cl)c1NC(=O)C(=O)NCCC(C)(C)[NH3+] ZINC000641822351 565399696 /nfs/dbraw/zinc/39/96/96/565399696.db2.gz SPJBWQXUEBKURE-UHFFFAOYSA-N 1 0 376.682 2.593 20 0 GFADRO COC(=O)c1cc(C[NH2+]CCNC(=O)c2cccc(Br)c2)c(C)o1 ZINC000594608542 565402828 /nfs/dbraw/zinc/40/28/28/565402828.db2.gz DIAUYBKHTWWQBF-UHFFFAOYSA-N 1 0 395.253 2.657 20 0 GFADRO C[NH+](C)CCC[C@@H]1CN(C(=O)Cc2cc(Br)ccc2F)CCO1 ZINC000620972167 565403307 /nfs/dbraw/zinc/40/33/07/565403307.db2.gz XWFLJLJFVFLNTP-OAHLLOKOSA-N 1 0 387.293 2.700 20 0 GFADRO C[C@H](Oc1ccccc1Br)C(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000620970161 565403380 /nfs/dbraw/zinc/40/33/80/565403380.db2.gz MAKVEUUGLRWFBK-LSDHHAIUSA-N 1 0 399.329 2.786 20 0 GFADRO C[C@H](Oc1ccccc1Br)C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000620970159 565403532 /nfs/dbraw/zinc/40/35/32/565403532.db2.gz MAKVEUUGLRWFBK-GJZGRUSLSA-N 1 0 399.329 2.786 20 0 GFADRO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)c1cnn(-c2ccc(Br)cc2)c1 ZINC000594667975 565404168 /nfs/dbraw/zinc/40/41/68/565404168.db2.gz OATZFHGNMMNRNO-MRXNPFEDSA-N 1 0 389.297 2.849 20 0 GFADRO Cc1ccc(Br)cc1CC(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000620979644 565404749 /nfs/dbraw/zinc/40/47/49/565404749.db2.gz XUICFOUHDMSPRW-QGZVFWFLSA-N 1 0 383.330 2.869 20 0 GFADRO COc1ccc(Br)cc1C(=O)CCC(=O)N1CC[NH2+][C@H](C(C)C)C1 ZINC000621148670 565408228 /nfs/dbraw/zinc/40/82/28/565408228.db2.gz UUGPQOKHCCICRS-HNNXBMFYSA-N 1 0 397.313 2.877 20 0 GFADRO Cc1ccc(Br)cc1S(=O)(=O)NCC[N@H+]1CCC[C@H](C)C1 ZINC000642523545 565413775 /nfs/dbraw/zinc/41/37/75/565413775.db2.gz NGMYNKCYEMDZBW-LBPRGKRZSA-N 1 0 375.332 2.768 20 0 GFADRO CC(C)[NH2+][C@@H]1CCCN(CC(=O)N(C)Cc2cc(Br)cs2)C1 ZINC000594748497 565413976 /nfs/dbraw/zinc/41/39/76/565413976.db2.gz UACFIPOBZUJBLT-CQSZACIVSA-N 1 0 388.375 2.931 20 0 GFADRO CN(C(=O)CC[NH2+]CCS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 ZINC000663357735 565415507 /nfs/dbraw/zinc/41/55/07/565415507.db2.gz WLHRLDWBTKUGGF-UHFFFAOYSA-N 1 0 380.897 2.756 20 0 GFADRO NC(=O)CC1(C[NH2+]C[C@H](O)COc2ccc(Br)cc2)CCCCC1 ZINC000663376209 565416150 /nfs/dbraw/zinc/41/61/50/565416150.db2.gz DKWRFVCMQSUNQV-HNNXBMFYSA-N 1 0 399.329 2.604 20 0 GFADRO C[C@H](O)[C@H]([NH2+]C[C@@H](O)COc1cccc(Br)c1)c1ccccc1 ZINC000663376734 565416520 /nfs/dbraw/zinc/41/65/20/565416520.db2.gz UOKSHGRKBVFLBY-XCRHUMRWSA-N 1 0 380.282 2.901 20 0 GFADRO C[C@H](O)[C@H]([NH2+]C[C@H](O)COc1ccc(Br)cc1)c1ccccc1 ZINC000663376284 565416950 /nfs/dbraw/zinc/41/69/50/565416950.db2.gz QPIXRXCXRXCBFI-OWQGQXMQSA-N 1 0 380.282 2.901 20 0 GFADRO CC(C)[NH2+]CCCNC(=O)C(=O)NCC(C)(C)c1ccc(Cl)c(Cl)c1 ZINC000642724845 565417453 /nfs/dbraw/zinc/41/74/53/565417453.db2.gz JLRPRNJLLIGZCO-UHFFFAOYSA-N 1 0 388.339 2.892 20 0 GFADRO O=C(NC[C@H]1CCCC[NH2+]1)C(=O)N(Cc1cccs1)Cc1cccs1 ZINC000642904032 565418637 /nfs/dbraw/zinc/41/86/37/565418637.db2.gz QEECRCJCEXBQNC-CQSZACIVSA-N 1 0 377.535 2.597 20 0 GFADRO Brc1cccc(Cc2noc(CN3CC[C@H]4CC[NH2+][C@@H]4C3)n2)c1 ZINC000643067120 565420953 /nfs/dbraw/zinc/42/09/53/565420953.db2.gz YCPXWFLXGABMJX-UKRRQHHQSA-N 1 0 377.286 2.607 20 0 GFADRO Cc1nc(C)c(Br)c(NC2CC[NH+](C3CCN(C)CC3)CC2)n1 ZINC000663481314 565423371 /nfs/dbraw/zinc/42/33/71/565423371.db2.gz IWLBCOAIVHXXNI-UHFFFAOYSA-N 1 0 382.350 2.826 20 0 GFADRO COCC[N@H+](C)CCOc1cccc(CNc2cc(Br)cnn2)c1 ZINC000663533725 565425799 /nfs/dbraw/zinc/42/57/99/565425799.db2.gz IFSUPNJXCCILLS-UHFFFAOYSA-N 1 0 395.301 2.808 20 0 GFADRO Brc1ccc2nnc(N3CC[C@@H]4[C@H](CCC[N@@H+]4C4CC4)C3)n2c1 ZINC000663737086 565432491 /nfs/dbraw/zinc/43/24/91/565432491.db2.gz RMFCLPHWPLCUJQ-IUODEOHRSA-N 1 0 376.302 2.945 20 0 GFADRO CN(C)C(=O)CC[NH+]1CCN(c2ncc(Br)c3ccsc32)CC1 ZINC000663719033 565432757 /nfs/dbraw/zinc/43/27/57/565432757.db2.gz IXTPROVAWXSCIL-UHFFFAOYSA-N 1 0 397.342 2.659 20 0 GFADRO O=C(c1cc2c(cc1Br)OCO2)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000621642303 565434022 /nfs/dbraw/zinc/43/40/22/565434022.db2.gz JUCQYOOOTWYXGE-SMDDNHRTSA-N 1 0 381.270 2.782 20 0 GFADRO O=C(CC[C@H]1CCC[NH2+]C1)Nc1ncn(Cc2cccc(Br)c2)n1 ZINC000621630633 565434189 /nfs/dbraw/zinc/43/41/89/565434189.db2.gz JBKWFEYIZFBNMZ-CYBMUJFWSA-N 1 0 392.301 2.807 20 0 GFADRO COCCOC[C@@H](C)[NH2+][C@H]1CCc2ccc(I)cc21 ZINC000595028817 565443250 /nfs/dbraw/zinc/44/32/50/565443250.db2.gz VQJNNVKDJTZYJN-ABAIWWIYSA-N 1 0 375.250 2.920 20 0 GFADRO [NH3+][C@H]1CCCCN(CC(=O)N(Cc2cccs2)Cc2cccs2)C1=O ZINC000643621236 565436510 /nfs/dbraw/zinc/43/65/10/565436510.db2.gz JFZCYWBYPJTNAX-INIZCTEOSA-N 1 0 377.535 2.678 20 0 GFADRO O=C(NCCNc1cc[nH+]cc1)c1cc(Br)cc(N2CCCC2)c1 ZINC000621678482 565437046 /nfs/dbraw/zinc/43/70/46/565437046.db2.gz UMEVALGNTAPXJD-UHFFFAOYSA-N 1 0 389.297 2.708 20 0 GFADRO [NH3+][C@@]12CCC[C@@H]1CN(C(=O)c1cc(=O)[nH]c3ccc(Br)cc31)C2 ZINC000621689405 565437188 /nfs/dbraw/zinc/43/71/88/565437188.db2.gz HLYHKNFDTISWSW-BMLIUANNSA-N 1 0 376.254 2.656 20 0 GFADRO C[S@](=O)[C@H]1CCC[C@@H]([NH2+]Cc2cn(-c3ccccc3Br)nn2)C1 ZINC000594964243 565438877 /nfs/dbraw/zinc/43/88/77/565438877.db2.gz CKSVIWRZBLPDPE-XTAIUZINSA-N 1 0 397.342 2.809 20 0 GFADRO C[C@@H](CN1CCOCC1)[NH2+][C@@H]1CCc2ccc(I)cc21 ZINC000595010185 565442474 /nfs/dbraw/zinc/44/24/74/565442474.db2.gz IOQBRMKABAYBTJ-BLLLJJGKSA-N 1 0 386.277 2.589 20 0 GFADRO NC(=O)c1ccc(C[NH2+][C@@H]2CCc3ccc(I)cc32)cn1 ZINC000595021080 565443315 /nfs/dbraw/zinc/44/33/15/565443315.db2.gz PAYXATHNUWDQNW-CQSZACIVSA-N 1 0 393.228 2.562 20 0 GFADRO CN(C(=O)NCC(F)(F)c1ccc(Br)cc1)C1CC[NH2+]CC1 ZINC000621850829 565445107 /nfs/dbraw/zinc/44/51/07/565445107.db2.gz FDFHGTWGEYIBDV-UHFFFAOYSA-N 1 0 376.245 2.934 20 0 GFADRO COC(=O)c1cn(CC[NH2+][C@H](c2cc(F)cc(Br)c2)C(C)C)nn1 ZINC000595050501 565445393 /nfs/dbraw/zinc/44/53/93/565445393.db2.gz QUFNFOCDEHFPQJ-HNNXBMFYSA-N 1 0 399.264 2.953 20 0 GFADRO OC[C@H](C[NH2+][C@@H]1CCc2ccc(I)cc21)[C@H]1CCOC1 ZINC000595054394 565445421 /nfs/dbraw/zinc/44/54/21/565445421.db2.gz NAFKUXMUBWOILJ-HEHGZKQESA-N 1 0 387.261 2.513 20 0 GFADRO C[C@H](Cn1cncn1)[NH2+]Cc1cc(Cl)cc(I)c1 ZINC000595046479 565445464 /nfs/dbraw/zinc/44/54/64/565445464.db2.gz ZYVWWSZSSZWSRO-SECBINFHSA-N 1 0 376.629 2.714 20 0 GFADRO COC(=O)c1cn(CC[NH2+][C@@H](c2cc(F)cc(Br)c2)C(C)C)nn1 ZINC000595050502 565445798 /nfs/dbraw/zinc/44/57/98/565445798.db2.gz QUFNFOCDEHFPQJ-OAHLLOKOSA-N 1 0 399.264 2.953 20 0 GFADRO CN(C(=O)c1cc(Br)c[nH]c1=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000621916126 565448138 /nfs/dbraw/zinc/44/81/38/565448138.db2.gz ZLYSHLYFQIBMSW-HNNXBMFYSA-N 1 0 390.281 2.896 20 0 GFADRO Cn1cc([C@@H]2CN(C(=O)c3sc4cc(F)ccc4c3Cl)C[C@H]2[NH3+])cn1 ZINC000643844967 565448347 /nfs/dbraw/zinc/44/83/47/565448347.db2.gz RQGQXENWGAMFNQ-QWHCGFSZSA-N 1 0 378.860 2.994 20 0 GFADRO COC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H](C)[C@H]2CCC[NH3+])cc1Cl ZINC000595119045 565450067 /nfs/dbraw/zinc/45/00/67/565450067.db2.gz ZFTWUCQXEKNMCW-MLGOLLRUSA-N 1 0 388.917 2.655 20 0 GFADRO C[C@H](C(=O)NCCCN1CCC[N@H+](C)CC1)c1cccc(Br)c1 ZINC000643985233 565453940 /nfs/dbraw/zinc/45/39/40/565453940.db2.gz MRNYNMKRAKRZEV-HNNXBMFYSA-N 1 0 382.346 2.696 20 0 GFADRO C[C@H](CNC(=O)[C@@H]1C[NH2+]CCC1(F)F)Oc1ccccc1Br ZINC000643983987 565454027 /nfs/dbraw/zinc/45/40/27/565454027.db2.gz DSLYPSAWQPMLJI-MNOVXSKESA-N 1 0 377.229 2.577 20 0 GFADRO [NH3+][C@@]12CCC[C@H]1CN(S(=O)(=O)Cc1ccc(Br)cc1Cl)C2 ZINC000622014347 565455087 /nfs/dbraw/zinc/45/50/87/565455087.db2.gz CPFPLRDTLQMELN-SMDDNHRTSA-N 1 0 393.734 2.746 20 0 GFADRO [NH3+][C@]12CCC[C@@H]1CN(S(=O)(=O)c1cc(Cl)c(Br)cc1F)C2 ZINC000622014517 565455538 /nfs/dbraw/zinc/45/55/38/565455538.db2.gz GSSYGBZLFBBAPP-OQPBUACISA-N 1 0 397.697 2.744 20 0 GFADRO CN(CCC[NH+](C)C)CCNC(=O)N[C@H]1COc2c1ccc(Cl)c2Cl ZINC000664237810 565455736 /nfs/dbraw/zinc/45/57/36/565455736.db2.gz TVYWZFZQJPFGEA-AWEZNQCLSA-N 1 0 389.327 2.610 20 0 GFADRO [NH3+]C1(CNC(=O)Nc2ccc(I)cc2F)CCCC1 ZINC000595237181 565457147 /nfs/dbraw/zinc/45/71/47/565457147.db2.gz ZLHMLLCAAYTEAD-UHFFFAOYSA-N 1 0 377.201 2.823 20 0 GFADRO CCOC(=O)c1c(NC(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)sc2c1CCCS2 ZINC000595242646 565458346 /nfs/dbraw/zinc/45/83/46/565458346.db2.gz NQZPOIGWPIMVNT-GHMZBOCLSA-N 1 0 387.502 2.866 20 0 GFADRO [NH3+]C1(C(=O)NCCc2ccc(I)cc2)CC2(CCC2)C1 ZINC000595260001 565460038 /nfs/dbraw/zinc/46/00/38/565460038.db2.gz SBBXBXSHEPEZTI-UHFFFAOYSA-N 1 0 384.261 2.612 20 0 GFADRO C[C@H](CCCC[NH3+])NC(=O)NCCc1ccc(I)cc1 ZINC000595274791 565460334 /nfs/dbraw/zinc/46/03/34/565460334.db2.gz WBDWRCUEGNUAEJ-GFCCVEGCSA-N 1 0 389.281 2.650 20 0 GFADRO CN(CCC[NH+](C)C)CCNC(=O)Nc1ccc(Br)cc1F ZINC000664330625 565460541 /nfs/dbraw/zinc/46/05/41/565460541.db2.gz KLVKMVMBPZTNBQ-UHFFFAOYSA-N 1 0 375.286 2.593 20 0 GFADRO C[C@@H](C[NH+]1CCC(C)CC1)Nc1ccc(S(N)(=O)=O)cc1C(F)(F)F ZINC000664457040 565463872 /nfs/dbraw/zinc/46/38/72/565463872.db2.gz OMFWNAZAROCYQZ-LBPRGKRZSA-N 1 0 379.448 2.885 20 0 GFADRO CNC(=O)c1cccc(C[NH2+]C[C@H](O)COc2ccc(Cl)c(Cl)c2)c1 ZINC000644519079 565479399 /nfs/dbraw/zinc/47/93/99/565479399.db2.gz PISAAUOKWAPSDI-AWEZNQCLSA-N 1 0 383.275 2.883 20 0 GFADRO Cc1csc(CC[NH2+]C[C@@H](O)COc2cc(F)cc(Br)c2)n1 ZINC000644516727 565479518 /nfs/dbraw/zinc/47/95/18/565479518.db2.gz KYBHOTPVLHXDRD-CYBMUJFWSA-N 1 0 389.290 2.925 20 0 GFADRO C[C@@H]1[C@H](C)N(C(=O)c2cc(Br)cc3c2OCCO3)[C@@H](C)C[N@@H+]1C ZINC000622889394 565479974 /nfs/dbraw/zinc/47/99/74/565479974.db2.gz JDKHCBCCDGGDRZ-TUAOUCFPSA-N 1 0 383.286 2.773 20 0 GFADRO O[C@@H](C[NH2+][C@H]1CCN(CC(F)(F)F)C1)COc1ccc(Cl)c(Cl)c1 ZINC000644532433 565480781 /nfs/dbraw/zinc/48/07/81/565480781.db2.gz JBOGBNQCKSJJIT-QWRGUYRKSA-N 1 0 387.229 2.959 20 0 GFADRO CN(C)C(=O)[C@@H]1CCC[C@H]([NH2+]C[C@@H](O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000644567860 565483040 /nfs/dbraw/zinc/48/30/40/565483040.db2.gz RUDMAPOUPWYFFR-HZSPNIEDSA-N 1 0 389.323 2.970 20 0 GFADRO C[C@H]([NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1)[C@H]1CCCCO1 ZINC000644616363 565484934 /nfs/dbraw/zinc/48/49/34/565484934.db2.gz AMJKPINEVRVWIB-SGIREYDYSA-N 1 0 376.266 2.875 20 0 GFADRO Cn1nc(C[NH2+]C[C@@H](O)COc2cccc(Br)c2)c2ccccc21 ZINC000644622983 565485119 /nfs/dbraw/zinc/48/51/19/565485119.db2.gz UDEZXOHZDRTNOB-CQSZACIVSA-N 1 0 390.281 2.865 20 0 GFADRO C[C@H]1C[C@H](NC(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)c2ccsc2S1(=O)=O ZINC000664934610 565485780 /nfs/dbraw/zinc/48/57/80/565485780.db2.gz FUCRTQHSJOUGGX-OBJOEFQTSA-N 1 0 385.555 2.527 20 0 GFADRO C[N@H+](C[C@@H](O)CN[C@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O)C1CC1 ZINC000644631159 565486560 /nfs/dbraw/zinc/48/65/60/565486560.db2.gz HPBZBKQAEIKUCL-HOCLYGCPSA-N 1 0 386.323 2.534 20 0 GFADRO Cc1ccc(Cl)c(OC[C@@H](O)C[NH2+]Cc2cccc(S(C)(=O)=O)c2)c1 ZINC000644659931 565487869 /nfs/dbraw/zinc/48/78/69/565487869.db2.gz DWVLERCUZOVKTC-HNNXBMFYSA-N 1 0 383.897 2.581 20 0 GFADRO CCc1ccc([C@@H]2CN(C(=O)c3cc(Br)c[nH]c3=O)CCN2)cc1 ZINC000623026858 565490665 /nfs/dbraw/zinc/49/06/65/565490665.db2.gz WRGABUYWXXFCAV-INIZCTEOSA-N 1 0 390.281 2.899 20 0 GFADRO C[C@@H](C(=O)NC1CCN(C(=O)Nc2ccc(Br)cc2)CC1)[NH+](C)C ZINC000623049719 565492844 /nfs/dbraw/zinc/49/28/44/565492844.db2.gz UEMOPBRRBKPJBK-LBPRGKRZSA-N 1 0 397.317 2.512 20 0 GFADRO O=C(Nc1ccc(Br)cc1)N1CCC([NH2+]CC2(O)CCC2)CC1 ZINC000623075459 565493814 /nfs/dbraw/zinc/49/38/14/565493814.db2.gz CREWICHNLKHSRM-UHFFFAOYSA-N 1 0 382.302 2.950 20 0 GFADRO COC(=O)[C@H](c1cccc(Br)c1)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000595907815 565497766 /nfs/dbraw/zinc/49/77/66/565497766.db2.gz YQGJALZURSXSGH-IRXDYDNUSA-N 1 0 399.329 2.706 20 0 GFADRO COc1cc2[nH+]ccc(NCC(C)(C)S(C)(=O)=O)c2cc1Br ZINC000644873619 565500402 /nfs/dbraw/zinc/50/04/02/565500402.db2.gz HPKIMMVOQJWATO-UHFFFAOYSA-N 1 0 387.299 2.663 20 0 GFADRO COC(=O)CC[C@H]([NH3+])C(=O)N[C@@H]1CCCCc2cc(Br)ccc21 ZINC000595947853 565500876 /nfs/dbraw/zinc/50/08/76/565500876.db2.gz INMDCQPRGSJVRU-LSDHHAIUSA-N 1 0 383.286 2.613 20 0 GFADRO O=C(Nc1nc2cc(I)ccc2[nH]1)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000595950296 565502274 /nfs/dbraw/zinc/50/22/74/565502274.db2.gz SRYCYMOMOIQEJG-JQWIXIFHSA-N 1 0 396.232 2.637 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)NC[C@H](n1cccn1)C(F)(F)F)c1ccsc1 ZINC000623409269 565509050 /nfs/dbraw/zinc/50/90/50/565509050.db2.gz WPHJQWCKEYHZAZ-STQMWFEESA-N 1 0 375.420 2.650 20 0 GFADRO C[C@@H](CCO)[NH2+]Cc1cc(Cl)cc(Cl)c1OCCN1CCOCC1 ZINC000623426549 565509753 /nfs/dbraw/zinc/50/97/53/565509753.db2.gz QLIPINZOCXOJAC-ZDUSSCGKSA-N 1 0 377.312 2.565 20 0 GFADRO O[C@H](C[NH2+]Cc1cc(Cl)cc(Cl)c1OCCN1CCOCC1)C1CC1 ZINC000623418248 565509787 /nfs/dbraw/zinc/50/97/87/565509787.db2.gz ISVMIWWHXINZBN-QGZVFWFLSA-N 1 0 389.323 2.565 20 0 GFADRO Ic1cnc(CNC[C@@H]2CCC[N@H+](CC3CC3)C2)s1 ZINC000596058408 565511480 /nfs/dbraw/zinc/51/14/80/565511480.db2.gz HIUMBZWONIUUSX-LBPRGKRZSA-N 1 0 391.322 2.959 20 0 GFADRO Cn1nc2cc(Br)ccc2c1C(=O)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000645111592 565513664 /nfs/dbraw/zinc/51/36/64/565513664.db2.gz AZAYYXRLHFVSBQ-SWLSCSKDSA-N 1 0 391.313 2.940 20 0 GFADRO COc1ccccc1OCCNC(=O)[C@](C)([NH3+])c1ccc(Br)cc1 ZINC000645189056 565515564 /nfs/dbraw/zinc/51/55/64/565515564.db2.gz JGYLMGZCMBBHCN-GOSISDBHSA-N 1 0 393.281 2.827 20 0 GFADRO COc1ccc(C[NH2+]CCn2cc(Br)ccc2=O)cc1OC1CC1 ZINC000623535410 565517041 /nfs/dbraw/zinc/51/70/41/565517041.db2.gz YWJVIRKCPKHYMP-UHFFFAOYSA-N 1 0 393.281 2.950 20 0 GFADRO C[C@H]([NH2+]C[C@@H]1CCCN(S(C)(=O)=O)C1)c1ccc(F)c(Br)c1 ZINC000645196229 565517109 /nfs/dbraw/zinc/51/71/09/565517109.db2.gz LPJDPTGKEDCTSE-RYUDHWBXSA-N 1 0 393.322 2.910 20 0 GFADRO C[C@]([NH3+])(C(=O)NCCc1ccc2c(c1)OCO2)c1ccc(Br)cc1 ZINC000645219827 565518107 /nfs/dbraw/zinc/51/81/07/565518107.db2.gz WMGDTNLZDJFEGV-GOSISDBHSA-N 1 0 391.265 2.711 20 0 GFADRO COc1ncc(Br)cc1CNC(=O)NCC[N@H+](C)C1CCCC1 ZINC000623576887 565519073 /nfs/dbraw/zinc/51/90/73/565519073.db2.gz OHTLRIMHVCVYKC-UHFFFAOYSA-N 1 0 385.306 2.526 20 0 GFADRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1c1nc(-c2cc(Cl)cc(Cl)c2)no1 ZINC000645358246 565522473 /nfs/dbraw/zinc/52/24/73/565522473.db2.gz BETUYKQTZPRUCC-JTQLQIEISA-N 1 0 384.267 2.600 20 0 GFADRO COc1ncc(Br)cc1CNC(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000623714732 565526645 /nfs/dbraw/zinc/52/66/45/565526645.db2.gz AQNSVNUYHGUVMW-ZDUSSCGKSA-N 1 0 399.333 2.774 20 0 GFADRO CN1CCOC[C@@H]1C[NH2+]Cc1ccc(OC(F)(F)F)c(Br)c1 ZINC000623712288 565526844 /nfs/dbraw/zinc/52/68/44/565526844.db2.gz AHAIZRSQOPIFNK-NSHDSACASA-N 1 0 383.208 2.768 20 0 GFADRO Cc1cc(Br)cc(C[NH2+]C[C@@H]2COCCN2C)c1OC(F)F ZINC000623712766 565526876 /nfs/dbraw/zinc/52/68/76/565526876.db2.gz KWLFOSUAWZFXOQ-CYBMUJFWSA-N 1 0 379.245 2.779 20 0 GFADRO Brc1csc(C[NH2+]C[C@H]2CN(Cc3ccncc3)CCO2)c1 ZINC000623780630 565530458 /nfs/dbraw/zinc/53/04/58/565530458.db2.gz ROHZBDPNNOJKTP-HNNXBMFYSA-N 1 0 382.327 2.896 20 0 GFADRO O=C(NCC1([NH+]2CCSCC2)CCCC1)C1(C(F)(F)F)CCOCC1 ZINC000666344078 565532483 /nfs/dbraw/zinc/53/24/83/565532483.db2.gz ZCTOGRRKNKDPGD-UHFFFAOYSA-N 1 0 380.476 2.823 20 0 GFADRO C[C@H]([NH2+]CCCN1CCCS1(=O)=O)c1cc(F)c(Br)cc1F ZINC000623912051 565535336 /nfs/dbraw/zinc/53/53/36/565535336.db2.gz XTACSIDLBUTDOQ-JTQLQIEISA-N 1 0 397.285 2.804 20 0 GFADRO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)Nc1cc(C(F)F)ccc1Cl ZINC000666393024 565535685 /nfs/dbraw/zinc/53/56/85/565535685.db2.gz WAYSNAWLHKPICY-UHFFFAOYSA-N 1 0 376.835 2.761 20 0 GFADRO CC[NH+]1CCN([C@H]2CCN(C(=O)NCc3ccc(Cl)c(Cl)c3)C2)CC1 ZINC000596821030 565536728 /nfs/dbraw/zinc/53/67/28/565536728.db2.gz XFDKOUXQWJSQDC-HNNXBMFYSA-N 1 0 385.339 2.915 20 0 GFADRO CCC[N@@H+]1CCC[C@@H]1C(=O)NCCC(=O)Nc1ccc(Br)cc1 ZINC000623961289 565537317 /nfs/dbraw/zinc/53/73/17/565537317.db2.gz AKJLFDKHNMHDOY-OAHLLOKOSA-N 1 0 382.302 2.768 20 0 GFADRO COc1ncc(Br)cc1CNC(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC000623965830 565537345 /nfs/dbraw/zinc/53/73/45/565537345.db2.gz WPLBHLUTVKFDIS-AWEZNQCLSA-N 1 0 399.333 2.772 20 0 GFADRO CCC[N@@H+]1CCC[C@H]1C(=O)NCCC(=O)Nc1ccc(Br)cc1 ZINC000623961288 565537440 /nfs/dbraw/zinc/53/74/40/565537440.db2.gz AKJLFDKHNMHDOY-HNNXBMFYSA-N 1 0 382.302 2.768 20 0 GFADRO CC(C)(CO)[NH+]1CCN(c2nccc(-c3ccc(Br)cc3)n2)CC1 ZINC000623974580 565537791 /nfs/dbraw/zinc/53/77/91/565537791.db2.gz IXXXIJAEJJELMA-UHFFFAOYSA-N 1 0 391.313 2.799 20 0 GFADRO Cc1cc(Br)c(CNC(=O)NCCN2C[C@H](C)OC[C@@H]2C)s1 ZINC000666637958 565545726 /nfs/dbraw/zinc/54/57/26/565545726.db2.gz PERYBILZWXPUOK-QWRGUYRKSA-N 1 0 390.347 2.727 20 0 GFADRO C[C@H]([NH2+][C@H]1CO[C@@H](C2CC2)C1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000624222927 565549007 /nfs/dbraw/zinc/54/90/07/565549007.db2.gz JXCVZDOVKSGGEG-LLHLLMPMSA-N 1 0 379.309 2.859 20 0 GFADRO COc1ncc(Br)cc1CNC(=O)N[C@@H](C)C[NH+]1CCC(C)CC1 ZINC000624376872 565553603 /nfs/dbraw/zinc/55/36/03/565553603.db2.gz AACUIJGZIKLREA-ZDUSSCGKSA-N 1 0 399.333 2.772 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CN(C(=O)Nc2cc(Cl)ccc2OCC(F)(F)F)CCO1 ZINC000666728333 565553709 /nfs/dbraw/zinc/55/37/09/565553709.db2.gz JNIWMJWZEPZIRQ-RNCFNFMXSA-N 1 0 381.782 2.861 20 0 GFADRO Cc1nc(NC(=O)N2CCO[C@H](CCC[NH+](C)C)C2)ccc1Br ZINC000666723146 565553849 /nfs/dbraw/zinc/55/38/49/565553849.db2.gz XRZLQRHJBHIYCJ-CYBMUJFWSA-N 1 0 385.306 2.727 20 0 GFADRO [NH3+]C[C@@H]1CN(S(=O)(=O)C[C@@H]2CCCCC2(F)F)CC[C@@H]1C(F)(F)F ZINC000624391846 565554334 /nfs/dbraw/zinc/55/43/34/565554334.db2.gz FDWHZOUDCMRXKJ-WOPDTQHZSA-N 1 0 378.407 2.601 20 0 GFADRO Cc1ccc(Br)c(C)c1C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000645717339 565555284 /nfs/dbraw/zinc/55/52/84/565555284.db2.gz ILKJOKYIURUKND-OAHLLOKOSA-N 1 0 381.314 2.860 20 0 GFADRO C[N@@H+]1C[C@@H]2CCN(S(=O)(=O)c3cc(Cl)ccc3OC(F)(F)F)[C@@H]2C1 ZINC000645723289 565555467 /nfs/dbraw/zinc/55/54/67/565555467.db2.gz JYSUAWVPVXFBIM-GXSJLCMTSA-N 1 0 384.807 2.563 20 0 GFADRO [NH3+]CCCOCCNS(=O)(=O)c1ccc(Oc2ccc(Cl)cc2)cc1 ZINC000624408380 565555843 /nfs/dbraw/zinc/55/58/43/565555843.db2.gz QJHIFDZDNKNGIX-UHFFFAOYSA-N 1 0 384.885 2.776 20 0 GFADRO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000645736493 565556445 /nfs/dbraw/zinc/55/64/45/565556445.db2.gz QRYSZVKPKXETKL-JQFCIGGWSA-N 1 0 380.330 2.780 20 0 GFADRO C[C@]12C[NH2+]C[C@@]1(C)CN(S(=O)(=O)c1cc(Cl)cc(Br)c1)C2 ZINC000624411452 565556553 /nfs/dbraw/zinc/55/65/53/565556553.db2.gz JCFMVXAIBZYABE-OKILXGFUSA-N 1 0 393.734 2.723 20 0 GFADRO C[N@@H+]1CC[C@H](CNC(=O)Cc2ccc(Br)c(Br)c2)C1 ZINC000666911446 565561966 /nfs/dbraw/zinc/56/19/66/565561966.db2.gz VHVPTUZGAZSINK-LLVKDONJSA-N 1 0 390.119 2.822 20 0 GFADRO CCC[N@@H+]1CC[C@H](NC(=O)Nc2ccc3nccnc3c2Br)C1 ZINC000667079816 565567997 /nfs/dbraw/zinc/56/79/97/565567997.db2.gz CAOZYTHFROHAAQ-NSHDSACASA-N 1 0 378.274 2.998 20 0 GFADRO COc1c(Br)cc(Cl)cc1NC(=O)N1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000667076559 565568028 /nfs/dbraw/zinc/56/80/28/565568028.db2.gz DJSJJNFFORWYRP-UFBFGSQYSA-N 1 0 392.681 2.691 20 0 GFADRO CC(C)CN(Cc1ccccc1Br)C(=O)NC[C@H]1COCCN1C ZINC000624741758 565573888 /nfs/dbraw/zinc/57/38/88/565573888.db2.gz VEERUGGHFNZLDF-INIZCTEOSA-N 1 0 398.345 2.947 20 0 GFADRO O=C(CC[N@@H+]1CCN2CC(F)(F)C[C@H]2C1)Nc1ccc(Br)cc1 ZINC000645937294 565577163 /nfs/dbraw/zinc/57/71/63/565577163.db2.gz JBTDWAZGHYJJAW-AWEZNQCLSA-N 1 0 388.256 2.803 20 0 GFADRO CC1(C)C[C@H](S(=O)(=O)N2CCCN(Cc3ccc(Cl)cc3)CC2)CO1 ZINC000624819174 565578511 /nfs/dbraw/zinc/57/85/11/565578511.db2.gz SMRCAJAAIIDAFB-KRWDZBQOSA-N 1 0 386.945 2.745 20 0 GFADRO Cc1cc(Cl)cc(NC(=O)C(=O)NC[C@@H]2CCCC[NH2+]2)c1Br ZINC000667265860 565580081 /nfs/dbraw/zinc/58/00/81/565580081.db2.gz DJZIGWHXBVMYLF-NSHDSACASA-N 1 0 388.693 2.608 20 0 GFADRO CC(C)[NH2+]CCCNC(=O)C(=O)Nc1ccccc1SCC(F)(F)F ZINC000667302504 565581190 /nfs/dbraw/zinc/58/11/90/565581190.db2.gz VEFYTTGAMMAXSN-UHFFFAOYSA-N 1 0 377.432 2.784 20 0 GFADRO CCN(C(=O)c1cc(I)ccc1F)[C@H]1CC[N@H+](C)C1 ZINC000597947407 565584047 /nfs/dbraw/zinc/58/40/47/565584047.db2.gz XYIJBVYZVALKGW-NSHDSACASA-N 1 0 376.213 2.597 20 0 GFADRO Cc1cc(Br)c(F)cc1S(=O)(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000624952589 565585213 /nfs/dbraw/zinc/58/52/13/565585213.db2.gz QAWIDYRKRBEDCT-GFCCVEGCSA-N 1 0 391.306 2.755 20 0 GFADRO O=C(Cc1ccc(Br)cc1F)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000667423067 565585738 /nfs/dbraw/zinc/58/57/38/565585738.db2.gz GJUCHJNKJGLICE-MRXNPFEDSA-N 1 0 399.304 2.844 20 0 GFADRO C[NH+]1CCC2(CC1)CN(C[C@@H](O)COc1ccc(Cl)c(Cl)c1)CCO2 ZINC000646103415 565586434 /nfs/dbraw/zinc/58/64/34/565586434.db2.gz RKHLVNXADMPKRB-CQSZACIVSA-N 1 0 389.323 2.530 20 0 GFADRO C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)[C@H]2[NH2+]CC2(C)C)CC1 ZINC000646089767 565586805 /nfs/dbraw/zinc/58/68/05/565586805.db2.gz GKKSLTMTLZQPFY-XJKSGUPXSA-N 1 0 380.330 2.652 20 0 GFADRO O=C(NCCCc1ccc(Cl)cc1Cl)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000646140306 565587522 /nfs/dbraw/zinc/58/75/22/565587522.db2.gz ZIKAEKIVKMIDPD-CQSZACIVSA-N 1 0 382.295 2.700 20 0 GFADRO COC[C@@]1(CNC(=O)Nc2cc(-c3ccc(Cl)s3)nn2C)CCC[NH2+]1 ZINC000667501948 565590268 /nfs/dbraw/zinc/59/02/68/565590268.db2.gz NFXIQGSAQIJMSQ-INIZCTEOSA-N 1 0 383.905 2.692 20 0 GFADRO CC[NH+](CC)CCO[C@@H]1CCN(S(=O)(=O)CC(C)(C)C(F)(F)CC)C1 ZINC000625039992 565591916 /nfs/dbraw/zinc/59/19/16/565591916.db2.gz QFOLWZDSALIAJB-OAHLLOKOSA-N 1 0 384.533 2.820 20 0 GFADRO O=C(Nc1cc(Cl)c(Cl)cc1Cl)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000667522369 565592424 /nfs/dbraw/zinc/59/24/24/565592424.db2.gz NCMDOOOAJBDGLW-DTORHVGOSA-N 1 0 376.671 2.938 20 0 GFADRO Cc1cc(Br)c(F)cc1S(=O)(=O)N(C)CCCC[NH+](C)C ZINC000625042495 565593165 /nfs/dbraw/zinc/59/31/65/565593165.db2.gz KAJDULRZVRXPOZ-UHFFFAOYSA-N 1 0 381.311 2.859 20 0 GFADRO CCCN(C(=O)Nc1ccc(NS(C)(=O)=O)c(Cl)c1)[C@H]1CC[N@H+](C)C1 ZINC000646280001 565594369 /nfs/dbraw/zinc/59/43/69/565594369.db2.gz OJNLGJVIBJSTNR-ZDUSSCGKSA-N 1 0 388.921 2.660 20 0 GFADRO CC[C@@H]1CN(C(=O)C(=O)Nc2ccc(Cl)c(Br)c2)CC[C@@H]1[NH3+] ZINC000667549910 565594709 /nfs/dbraw/zinc/59/47/09/565594709.db2.gz AYLXQYXXFFGGSK-RNCFNFMXSA-N 1 0 388.693 2.627 20 0 GFADRO [NH3+]C1(CNC(=O)c2cccc(NC(=O)c3ccc(Br)o3)c2)CCC1 ZINC000646306551 565595627 /nfs/dbraw/zinc/59/56/27/565595627.db2.gz KKPANQOBNDZLPQ-UHFFFAOYSA-N 1 0 392.253 2.906 20 0 GFADRO COc1ccc(Br)cc1C(=O)CCC(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000646338430 565597821 /nfs/dbraw/zinc/59/78/21/565597821.db2.gz MEGJAKCKTIONCM-WFASDCNBSA-N 1 0 395.297 2.631 20 0 GFADRO O=C(Nc1ccccc1Br)C(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000667638789 565597873 /nfs/dbraw/zinc/59/78/73/565597873.db2.gz ZTODRQNCCFHQGP-UONOGXRCSA-N 1 0 394.313 2.626 20 0 GFADRO Cn1nc2cc(Br)ccc2c1C(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000646366562 565599935 /nfs/dbraw/zinc/59/99/35/565599935.db2.gz GWYSULVPXSSLIX-CYBMUJFWSA-N 1 0 391.313 2.798 20 0 GFADRO O=C(CCCCc1ccc(Br)cc1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000646352109 565600202 /nfs/dbraw/zinc/60/02/02/565600202.db2.gz RHGZMRUYPHGYQJ-GOSISDBHSA-N 1 0 394.357 2.668 20 0 GFADRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)Nc1cc(Cl)c(F)c(Cl)c1 ZINC000646385674 565601103 /nfs/dbraw/zinc/60/11/03/565601103.db2.gz MFBAGNPHHRDYCH-SECBINFHSA-N 1 0 377.247 2.716 20 0 GFADRO Cc1cc(N2CC[C@@H](NC(=O)CC[C@@H]3CCC[NH2+]3)C2=O)ccc1Br ZINC000646516737 565604839 /nfs/dbraw/zinc/60/48/39/565604839.db2.gz IBKLVVJPSBMASA-XJKSGUPXSA-N 1 0 394.313 2.511 20 0 GFADRO C[C@H](CNC(=O)c1cc(Br)cc2[nH]c(=O)[nH]c21)[N@@H+]1CCC[C@@H](C)C1 ZINC000646678193 565613758 /nfs/dbraw/zinc/61/37/58/565613758.db2.gz YKWOJNNDHRDBHX-GHMZBOCLSA-N 1 0 395.301 2.881 20 0 GFADRO NC(=O)CCC1CC[NH+]([C@@H]2CCc3cc(Br)ccc3NC2=O)CC1 ZINC000625280483 565616494 /nfs/dbraw/zinc/61/64/94/565616494.db2.gz JMXVUBUKAFVHOE-MRXNPFEDSA-N 1 0 394.313 2.680 20 0 GFADRO C[C@H]([NH3+])[C@H]1CN(C(=O)C2(c3cc(C(F)(F)F)ccc3Cl)CC2)CCO1 ZINC000646854427 565623075 /nfs/dbraw/zinc/62/30/75/565623075.db2.gz VEKKJSYEROHJAY-IINYFYTJSA-N 1 0 376.806 2.965 20 0 GFADRO CC(=O)NCCN(Cc1ccc(Cl)cc1Cl)C[C@H](O)CC1(O)CCC1 ZINC000625397358 565626112 /nfs/dbraw/zinc/62/61/12/565626112.db2.gz LHGMLEXBZVSSNY-MRXNPFEDSA-N 1 0 389.323 2.598 20 0 GFADRO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)c2nn(-c3ccc(F)cc3)cc2Br)C1 ZINC000646927591 565626583 /nfs/dbraw/zinc/62/65/83/565626583.db2.gz NXYBEMICERXYEU-NHYWBVRUSA-N 1 0 393.260 2.550 20 0 GFADRO Cc1cc(Br)c(S(=O)(=O)NC[C@@H]2CCCC[N@@H+](C)C2)s1 ZINC000625423797 565629761 /nfs/dbraw/zinc/62/97/61/565629761.db2.gz ZWRPQNQVVKMUSE-NSHDSACASA-N 1 0 381.361 2.829 20 0 GFADRO CCCN(C(=O)C(=O)NCCc1ccc(Cl)cc1Cl)[C@H]1CC[N@H+](C)C1 ZINC000646970974 565630078 /nfs/dbraw/zinc/63/00/78/565630078.db2.gz ZIQIGSUOJFYXHN-HNNXBMFYSA-N 1 0 386.323 2.595 20 0 GFADRO CC1([NH3+])CCN(C(=O)CCc2nc(-c3cc(Br)cs3)no2)CC1 ZINC000646992544 565631531 /nfs/dbraw/zinc/63/15/31/565631531.db2.gz OYDFPYLRANLAMK-UHFFFAOYSA-N 1 0 399.314 2.833 20 0 GFADRO [NH3+][C@@]12CCC[C@@H]1CN(C(=O)c1ccc(I)c(Cl)c1)C2 ZINC000598668517 565632581 /nfs/dbraw/zinc/63/25/81/565632581.db2.gz WCWUFUZVEINIDL-QMTHXVAHSA-N 1 0 390.652 2.898 20 0 GFADRO O=C(N[C@H]1CC12CC[NH2+]CC2)c1cc(-c2ccc(Br)cc2)n[nH]1 ZINC000647056599 565634307 /nfs/dbraw/zinc/63/43/07/565634307.db2.gz IKMCYVITNSUPRE-HNNXBMFYSA-N 1 0 375.270 2.711 20 0 GFADRO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(C(=O)c2ccc(Br)c(O)c2)CC1 ZINC000647088294 565636477 /nfs/dbraw/zinc/63/64/77/565636477.db2.gz WLTBDZNTTJKGIL-GDBMZVCRSA-N 1 0 383.286 2.513 20 0 GFADRO COc1ncc(C(=O)N2CCC([C@@H]3[NH2+]CC3(C)C)CC2)cc1Br ZINC000647093231 565636968 /nfs/dbraw/zinc/63/69/68/565636968.db2.gz FFBHGZYYFGEFCG-AWEZNQCLSA-N 1 0 382.302 2.703 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)C(=O)NCCc2ccc(Cl)cc2Cl)C1 ZINC000668342207 565641142 /nfs/dbraw/zinc/64/11/42/565641142.db2.gz DRHWCHLALSHSEK-CQSZACIVSA-N 1 0 386.323 2.641 20 0 GFADRO Cc1c(Br)cc(S(C)(=O)=O)cc1-c1nc([C@@H]2CCC[NH2+]2)no1 ZINC000647147170 565641495 /nfs/dbraw/zinc/64/14/95/565641495.db2.gz MBKKERYUFACGBW-LBPRGKRZSA-N 1 0 386.271 2.636 20 0 GFADRO [NH3+]C1CCC(NS(=O)(=O)Cc2ccc(Cl)cc2Br)CC1 ZINC000647204435 565646111 /nfs/dbraw/zinc/64/61/11/565646111.db2.gz MRYBIDDTPGXXBY-UHFFFAOYSA-N 1 0 381.723 2.792 20 0 GFADRO O=S(=O)(Cc1ccc(Cl)cc1Br)NC[C@@H]1CCCC[NH2+]1 ZINC000647201993 565646231 /nfs/dbraw/zinc/64/62/31/565646231.db2.gz IWQRUFLVGCGHGW-LBPRGKRZSA-N 1 0 381.723 2.664 20 0 GFADRO O=S(=O)(Cc1ccc(Br)cc1Cl)NC[C@@H]1CCCC[NH2+]1 ZINC000647201891 565646463 /nfs/dbraw/zinc/64/64/63/565646463.db2.gz DOBFKDXLIGOYMI-LBPRGKRZSA-N 1 0 381.723 2.664 20 0 GFADRO Cn1cnc(CCC[NH2+]C2CCN(Cc3ccccc3Br)CC2)n1 ZINC000647231233 565647619 /nfs/dbraw/zinc/64/76/19/565647619.db2.gz NXOYNVGHGGVMEV-UHFFFAOYSA-N 1 0 392.345 2.764 20 0 GFADRO Cn1cnc(CCC[NH2+]Cc2ccc(OC(F)F)c(Br)c2)n1 ZINC000647231246 565647646 /nfs/dbraw/zinc/64/76/46/565647646.db2.gz OLSLLUJNSRZBDB-UHFFFAOYSA-N 1 0 375.217 2.901 20 0 GFADRO O=S(=O)(Cc1ccc(Br)cc1)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647237554 565648045 /nfs/dbraw/zinc/64/80/45/565648045.db2.gz DSPMRUNKABDALK-HOCLYGCPSA-N 1 0 387.343 2.743 20 0 GFADRO [NH3+][C@@H]1CCC[C@H](NS(=O)(=O)Cc2cc(Cl)ccc2Br)C1 ZINC000647259810 565649725 /nfs/dbraw/zinc/64/97/25/565649725.db2.gz ZBULUGUMKTVZFR-NEPJUHHUSA-N 1 0 381.723 2.792 20 0 GFADRO O=S(=O)(c1ccc2cc(Br)ccc2c1)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000647263995 565650498 /nfs/dbraw/zinc/65/04/98/565650498.db2.gz LQIHPTPKPCNLTP-SJCJKPOMSA-N 1 0 395.322 2.975 20 0 GFADRO CO[C@@]1(CO)CCC[N@H+](Cc2cnn(-c3ccc(Br)cc3)c2)C1 ZINC000668496818 565651066 /nfs/dbraw/zinc/65/10/66/565651066.db2.gz RYLCEMAOFKVCCY-KRWDZBQOSA-N 1 0 380.286 2.608 20 0 GFADRO CCOC(=O)c1[nH]c(C)c(C[NH2+]Cc2ccc(S(=O)(=O)CC)s2)c1C ZINC000598974440 565651402 /nfs/dbraw/zinc/65/14/02/565651402.db2.gz MCGLTMIFPJUOQG-UHFFFAOYSA-N 1 0 384.523 2.953 20 0 GFADRO CC[C@H]1CN(S(=O)(=O)c2cc(Br)c(F)cc2C)CC[C@H]1[NH3+] ZINC000647269381 565651501 /nfs/dbraw/zinc/65/15/01/565651501.db2.gz RLYKJSWLDJYZFW-GXFFZTMASA-N 1 0 379.295 2.645 20 0 GFADRO CC[C@H]1CN(S(=O)(=O)c2cc(Br)ccc2Cl)CC[C@H]1[NH3+] ZINC000647269086 565651783 /nfs/dbraw/zinc/65/17/83/565651783.db2.gz LURTYTBQZNRXCF-JOYOIKCWSA-N 1 0 381.723 2.850 20 0 GFADRO COC(=O)CCNC(=O)CC[NH2+][C@H](C)c1cc(C)c(Br)s1 ZINC000599004285 565652779 /nfs/dbraw/zinc/65/27/79/565652779.db2.gz LEHYATFPTOOZRT-SNVBAGLBSA-N 1 0 377.304 2.539 20 0 GFADRO O=S(=O)(Cc1cc(Cl)ccc1Br)N[C@H]1CC12CC[NH2+]CC2 ZINC000647304033 565655673 /nfs/dbraw/zinc/65/56/73/565655673.db2.gz UCNHTLQNMLDWSB-ZDUSSCGKSA-N 1 0 393.734 2.664 20 0 GFADRO [NH3+][C@H]1CCC[C@H](CNS(=O)(=O)c2ccc(Br)cc2Cl)C1 ZINC000647316689 565656936 /nfs/dbraw/zinc/65/69/36/565656936.db2.gz AEIJKPVCSIMATK-ONGXEEELSA-N 1 0 381.723 2.898 20 0 GFADRO [NH3+][C@H]1CCC[C@@H](CNS(=O)(=O)c2ccc(Br)cc2Cl)C1 ZINC000647316687 565656947 /nfs/dbraw/zinc/65/69/47/565656947.db2.gz AEIJKPVCSIMATK-KOLCDFICSA-N 1 0 381.723 2.898 20 0 GFADRO COc1cc(C(=O)N2CC[NH+](CC3CCOCC3)CC2)ccc1Br ZINC000625721726 565656962 /nfs/dbraw/zinc/65/69/62/565656962.db2.gz PHVQXSJCCWMFRT-UHFFFAOYSA-N 1 0 397.313 2.642 20 0 GFADRO CC(C)(C)n1ncnc1C[NH2+][C@@]1(CO)CCc2cc(Br)ccc2C1 ZINC000625797610 565660547 /nfs/dbraw/zinc/66/05/47/565660547.db2.gz WLLHPNHGNYKEBV-SFHVURJKSA-N 1 0 393.329 2.805 20 0 GFADRO Cc1nccn1CCC[NH2+][C@@]1(CO)CCc2cc(Br)ccc2C1 ZINC000625796144 565660721 /nfs/dbraw/zinc/66/07/21/565660721.db2.gz GTZRUOMVAHCDIA-SFHVURJKSA-N 1 0 378.314 2.854 20 0 GFADRO C[C@H]1CCCN1C(=O)CC[NH2+][C@]1(CO)CCc2cc(Br)ccc2C1 ZINC000625795684 565660754 /nfs/dbraw/zinc/66/07/54/565660754.db2.gz ZXWBMRKJXZOQFH-IFXJQAMLSA-N 1 0 395.341 2.660 20 0 GFADRO Cc1noc(CCC[NH2+][C@@]2(CO)CCc3cc(Br)ccc3C2)n1 ZINC000625797324 565661014 /nfs/dbraw/zinc/66/10/14/565661014.db2.gz TVCQTQNUMBIYSP-KRWDZBQOSA-N 1 0 380.286 2.583 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)c(C)c1CN1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000647507568 565661350 /nfs/dbraw/zinc/66/13/50/565661350.db2.gz RXUNNHXNUGCVTL-KPZWWZAWSA-N 1 0 393.329 2.800 20 0 GFADRO Cc1cc(Br)cc(CN2CCO[C@H]([C@@H](C)[NH3+])C2)c1OC(F)F ZINC000647507490 565661818 /nfs/dbraw/zinc/66/18/18/565661818.db2.gz QVCQFYRBCMPQPN-MFKMUULPSA-N 1 0 379.245 2.907 20 0 GFADRO C[C@@H]([NH3+])C[C@H](C)NC(=O)Nc1cc(Br)cc(C(=O)N2CCCC2)c1 ZINC000647476124 565661839 /nfs/dbraw/zinc/66/18/39/565661839.db2.gz SLHGSICEUUPTEY-NEPJUHHUSA-N 1 0 397.317 2.932 20 0 GFADRO C[C@H](C[C@H](C)[NH3+])NC(=O)Nc1cc(Br)cc(C(=O)N2CCCC2)c1 ZINC000647476125 565661852 /nfs/dbraw/zinc/66/18/52/565661852.db2.gz SLHGSICEUUPTEY-NWDGAFQWSA-N 1 0 397.317 2.932 20 0 GFADRO OCc1ccc(CC[NH2+]C[C@H](O)COc2cccc(Br)c2)cc1 ZINC000647524315 565662973 /nfs/dbraw/zinc/66/29/73/565662973.db2.gz CDMISXGBGDHSFO-KRWDZBQOSA-N 1 0 380.282 2.513 20 0 GFADRO [NH3+]C1(CNC(=O)Nc2cc(Br)c(F)cc2Cl)CCOCC1 ZINC000625866752 565663735 /nfs/dbraw/zinc/66/37/35/565663735.db2.gz RDTIELKHEKNWKG-UHFFFAOYSA-N 1 0 380.645 2.871 20 0 GFADRO CCN(CC[NH3+])C(=O)Nc1c(-c2ccc(Br)cc2)c(C)nn1C ZINC000625873078 565663899 /nfs/dbraw/zinc/66/38/99/565663899.db2.gz DEUNGIXUDBPHEJ-UHFFFAOYSA-N 1 0 380.290 2.971 20 0 GFADRO OC[C@@H](C[NH2+]C[C@H](O)CC(F)(F)F)Cc1cc(Br)ccc1F ZINC000647536850 565663958 /nfs/dbraw/zinc/66/39/58/565663958.db2.gz OGRIZQFPOOCNCV-BXKDBHETSA-N 1 0 388.199 2.642 20 0 GFADRO CCCN(C(=O)C(=O)N(C)Cc1ccc(Cl)c(Cl)c1)[C@H]1CC[N@H+](C)C1 ZINC000647568864 565663969 /nfs/dbraw/zinc/66/39/69/565663969.db2.gz VPYWMTMUHBQGLN-AWEZNQCLSA-N 1 0 386.323 2.895 20 0 GFADRO OC[C@@H](C[NH2+]C[C@@H](O)COc1ccccc1)Cc1ccc(Br)cc1 ZINC000647535195 565664090 /nfs/dbraw/zinc/66/40/90/565664090.db2.gz VGHKYKQTDIRADJ-SJLPKXTDSA-N 1 0 394.309 2.630 20 0 GFADRO [NH3+]CC1(NC(=O)N[C@@H](c2ccc(F)c(Cl)c2)C(F)(F)F)CCOCC1 ZINC000625882802 565664365 /nfs/dbraw/zinc/66/43/65/565664365.db2.gz ATXWEZZNTYZBSX-LBPRGKRZSA-N 1 0 383.773 2.890 20 0 GFADRO [NH3+]C1(CNC(=O)Nc2cc(F)c(Br)c(Cl)c2)CCOCC1 ZINC000625888033 565664574 /nfs/dbraw/zinc/66/45/74/565664574.db2.gz JGYBGLHMBSOMHW-UHFFFAOYSA-N 1 0 380.645 2.871 20 0 GFADRO CC(C)NC(=O)[C@H]1CCC[N@H+](Cc2cn3ccc(Br)cc3n2)C1 ZINC000668733681 565664981 /nfs/dbraw/zinc/66/49/81/565664981.db2.gz IORHZXWPXISLHS-ZDUSSCGKSA-N 1 0 379.302 2.833 20 0 GFADRO C[C@H](NC(=O)N[C@H](C[NH3+])C(F)(F)F)c1cc(F)c(Br)cc1F ZINC000625899514 565665933 /nfs/dbraw/zinc/66/59/33/565665933.db2.gz VUEMJQRKJABYIC-XUOSJQGZSA-N 1 0 390.150 2.977 20 0 GFADRO CCS(=O)(=O)c1c(Cl)cccc1CN1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000668785656 565666488 /nfs/dbraw/zinc/66/64/88/565666488.db2.gz ULWCIRABGGHESC-INIZCTEOSA-N 1 0 388.961 2.676 20 0 GFADRO Cc1cc(Br)cc(C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)c1C ZINC000668803404 565667243 /nfs/dbraw/zinc/66/72/43/565667243.db2.gz NGCHLOJIWHCIHQ-KRWDZBQOSA-N 1 0 394.357 2.918 20 0 GFADRO CC(C)Oc1cc(Br)ccc1C(=O)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000647707145 565671938 /nfs/dbraw/zinc/67/19/38/565671938.db2.gz XAGBKUHBTLIDLD-GJZGRUSLSA-N 1 0 397.313 2.517 20 0 GFADRO O=C(Cc1csc(-c2ccc(Cl)s2)n1)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000647707247 565672277 /nfs/dbraw/zinc/67/22/77/565672277.db2.gz ZMDLUCNUWRBXPU-STQMWFEESA-N 1 0 397.953 2.735 20 0 GFADRO CC[NH+]1CCN([C@H]2CCN(C(=O)c3cc(C)cc(Br)c3F)C2)CC1 ZINC000599368685 565672747 /nfs/dbraw/zinc/67/27/47/565672747.db2.gz GLXLGNREMPGAAZ-AWEZNQCLSA-N 1 0 398.320 2.749 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)c(C)c1C(=O)NCC[NH2+]C1CC1 ZINC000647755733 565674617 /nfs/dbraw/zinc/67/46/17/565674617.db2.gz CUAIOVCKYNBCOQ-UHFFFAOYSA-N 1 0 377.286 2.733 20 0 GFADRO CCC1([NH+]2CCOCC2)CCN([C@@H](C)c2ncc(Br)cn2)CC1 ZINC000626089265 565675177 /nfs/dbraw/zinc/67/51/77/565675177.db2.gz IVHIBVGXHFSZRJ-AWEZNQCLSA-N 1 0 383.334 2.877 20 0 GFADRO CN(CCN1CC[NH2+]CC1)C(=O)CCCCc1ccc(Br)cc1 ZINC000647775702 565675742 /nfs/dbraw/zinc/67/57/42/565675742.db2.gz ZCLBZQVQKPSELY-UHFFFAOYSA-N 1 0 382.346 2.526 20 0 GFADRO COc1cc(C(=O)N2CC[C@@H](OCC[NH+]3CCCC3)C2)ccc1Br ZINC000626122079 565676687 /nfs/dbraw/zinc/67/66/87/565676687.db2.gz HZOHCQCPGMQMDH-OAHLLOKOSA-N 1 0 397.313 2.785 20 0 GFADRO C[C@H]1[C@H]([NH+](C)C)CCN1S(=O)(=O)Cc1ccc(Cl)cc1Br ZINC000647888561 565680661 /nfs/dbraw/zinc/68/06/61/565680661.db2.gz JAJVXWMKUOQEGH-IINYFYTJSA-N 1 0 395.750 2.957 20 0 GFADRO Cc1sc(NC(=O)CNC(=O)[C@@H]([NH3+])C(C)C)nc1-c1cccc(Cl)c1 ZINC000647905625 565683700 /nfs/dbraw/zinc/68/37/00/565683700.db2.gz QPMFXABMSFCFJP-AWEZNQCLSA-N 1 0 380.901 2.810 20 0 GFADRO CCOC(=O)[C@@](C)(O)C[N@@H+]1CC[C@@H](Sc2ccc(Br)cc2)C1 ZINC000599526734 565686483 /nfs/dbraw/zinc/68/64/83/565686483.db2.gz QRGGSRAQPFKIEW-ZBFHGGJFSA-N 1 0 388.327 2.930 20 0 GFADRO C[C@H]([NH3+])[C@H]1CN(C(=O)NCC2(c3ccc(Br)cc3)CCC2)CCO1 ZINC000669403443 565687295 /nfs/dbraw/zinc/68/72/95/565687295.db2.gz FAJFWBOSZGURFA-XJKSGUPXSA-N 1 0 396.329 2.628 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CN(C(=O)N[C@H](C)CCc2ccc(Br)cc2)CCO1 ZINC000669405233 565687732 /nfs/dbraw/zinc/68/77/32/565687732.db2.gz DRJCWGUFPUDLGE-XJKCOSOUSA-N 1 0 384.318 2.528 20 0 GFADRO O=C(N[C@@H]1CCOc2ccc(Br)cc21)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000669406813 565688484 /nfs/dbraw/zinc/68/84/84/565688484.db2.gz PPIUVYWOUCTFDP-NILFDRSVSA-N 1 0 380.286 2.666 20 0 GFADRO CC(=O)N[C@H](CC(=O)N[C@@H]1[C@H](C)CC[NH2+][C@H]1C)c1ccc(Br)cc1 ZINC000648136497 565690836 /nfs/dbraw/zinc/69/08/36/565690836.db2.gz MMWGVOCWRIBKFV-XBCDXLOZSA-N 1 0 396.329 2.519 20 0 GFADRO CC1([NH3+])CCN(C(=O)NCCOc2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000669496766 565691202 /nfs/dbraw/zinc/69/12/02/565691202.db2.gz NZJAEJUBFAKTJE-UHFFFAOYSA-N 1 0 380.798 2.655 20 0 GFADRO CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000669551727 565692098 /nfs/dbraw/zinc/69/20/98/565692098.db2.gz IACXTGWFATVKOZ-IXKJSCDLSA-N 1 0 396.329 2.919 20 0 GFADRO [NH3+]C/C=C\CNC(=O)NCCOc1ccc(Br)cc1C(F)(F)F ZINC000669547574 565692145 /nfs/dbraw/zinc/69/21/45/565692145.db2.gz GQCOYHLSPXFWJE-UPHRSURJSA-N 1 0 396.207 2.661 20 0 GFADRO C[NH2+]Cc1ccc(NC(=O)[C@@H](C)NC(=O)c2ccc(Br)s2)cc1 ZINC000648146296 565692430 /nfs/dbraw/zinc/69/24/30/565692430.db2.gz JYDLUWWRQIUDHW-SNVBAGLBSA-N 1 0 396.310 2.987 20 0 GFADRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)Nc1cc(F)c(F)cc1I ZINC000599608184 565692558 /nfs/dbraw/zinc/69/25/58/565692558.db2.gz KIDGYARZEPCVCJ-WDEREUQCSA-N 1 0 395.191 2.831 20 0 GFADRO C[C@@H]1C[C@H](C)N(C(=O)c2c3ccc(Br)cc3nn2C)C[C@@H]1C[NH3+] ZINC000648179767 565693540 /nfs/dbraw/zinc/69/35/40/565693540.db2.gz WOHXWLVQXXCJNT-WOPDTQHZSA-N 1 0 379.302 2.781 20 0 GFADRO CCOC(=O)c1noc(CN[C@@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)n1 ZINC000599627172 565694156 /nfs/dbraw/zinc/69/41/56/565694156.db2.gz JJEMJGLEUCDOLO-ZDUSSCGKSA-N 1 0 387.267 2.946 20 0 GFADRO C[C@H](CC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)n1cc(Br)cn1 ZINC000648221001 565694450 /nfs/dbraw/zinc/69/44/50/565694450.db2.gz TTXIUDWYFGKTKK-RHSMWYFYSA-N 1 0 391.313 2.987 20 0 GFADRO Cc1cc(Br)c(NC(=O)NCC[N@@H+]2CC[C@H](O)C2)cc1Cl ZINC000626502428 565695622 /nfs/dbraw/zinc/69/56/22/565695622.db2.gz OJUPYPSNXMLIGQ-JTQLQIEISA-N 1 0 376.682 2.599 20 0 GFADRO CS[C@@H]1CN(C(=O)c2ccc(Br)c(F)c2F)C[C@H]1[NH+](C)C ZINC000599721721 565698429 /nfs/dbraw/zinc/69/84/29/565698429.db2.gz QIBPGRYMMKKPHR-GHMZBOCLSA-N 1 0 379.270 2.845 20 0 GFADRO Cc1ccc(NC(=O)C[NH2+][C@@H](C)c2ccsc2)cc1S(=O)(=O)N(C)C ZINC000669938799 565708136 /nfs/dbraw/zinc/70/81/36/565708136.db2.gz ZJGYXZFLKWEPGY-ZDUSSCGKSA-N 1 0 381.523 2.596 20 0 GFADRO Cn1nc2cc(Br)ccc2c1C(=O)NC1CCC([NH+](C)C)CC1 ZINC000648424008 565712258 /nfs/dbraw/zinc/71/22/58/565712258.db2.gz MIAHBWPFOFYHKY-UHFFFAOYSA-N 1 0 379.302 2.938 20 0 GFADRO C[C@@H]1CC[C@H](NC(=O)C(=O)Nc2ccc(Br)c3ccccc23)C[NH2+]1 ZINC000626891167 565714076 /nfs/dbraw/zinc/71/40/76/565714076.db2.gz ULUQGXNJUCLJNK-NEPJUHHUSA-N 1 0 390.281 2.798 20 0 GFADRO [NH3+]CCCOCCNC(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000626938805 565716353 /nfs/dbraw/zinc/71/63/53/565716353.db2.gz WNEIWLFULSXPJQ-UWVGGRQHSA-N 1 0 379.345 2.561 20 0 GFADRO C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)NCCc1cc(Br)ccc1F)C2 ZINC000626951386 565717233 /nfs/dbraw/zinc/71/72/33/565717233.db2.gz WFMAIRKVHQVYAF-CALCHBBNSA-N 1 0 384.293 2.772 20 0 GFADRO CC[C@H](CNC(=O)NC1(C[NH3+])CCOCC1)Cc1cccc(Br)c1 ZINC000626981434 565717585 /nfs/dbraw/zinc/71/75/85/565717585.db2.gz OSDPRZZYIQXITE-AWEZNQCLSA-N 1 0 398.345 2.825 20 0 GFADRO C[C@@H](CNC(=O)N[C@H]1CC[NH2+]C12CCC2)Oc1cccc(Br)c1 ZINC000626990467 565718045 /nfs/dbraw/zinc/71/80/45/565718045.db2.gz YFWLEYXIKMKDRO-WFASDCNBSA-N 1 0 382.302 2.800 20 0 GFADRO O=C(NCc1ccc(Cl)cc1Cl)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000670491285 565725454 /nfs/dbraw/zinc/72/54/54/565725454.db2.gz SPKAMAKJMRCDSV-OAHLLOKOSA-N 1 0 384.307 2.696 20 0 GFADRO C[C@@H]1C[C@H](c2ccc(Br)cc2)CN1C(=O)NCCOCCC[NH3+] ZINC000627220770 565726853 /nfs/dbraw/zinc/72/68/53/565726853.db2.gz YSPXHBIZSVRJAA-HIFRSBDPSA-N 1 0 384.318 2.702 20 0 GFADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc2c(cncc2Br)s1 ZINC000648770050 565727588 /nfs/dbraw/zinc/72/75/88/565727588.db2.gz RWZCQLIILRNUQX-LLVKDONJSA-N 1 0 398.326 2.899 20 0 GFADRO O=C(CCCOc1cccc(Cl)c1Cl)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000627257273 565728980 /nfs/dbraw/zinc/72/89/80/565728980.db2.gz DZUNVJJIEHNHMP-KGLIPLIRSA-N 1 0 387.307 2.820 20 0 GFADRO Cc1cc(Br)cc2c(C(=O)N3CC[C@@H]([N@@H+]4CC[C@@H](O)C4)C3)coc21 ZINC000627261577 565730618 /nfs/dbraw/zinc/73/06/18/565730618.db2.gz ACIQTVVVZLCMRC-ZIAGYGMSSA-N 1 0 393.281 2.785 20 0 GFADRO O=C(c1cc(Br)c2ccccc2c1)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000627266778 565730731 /nfs/dbraw/zinc/73/07/31/565730731.db2.gz FTPHLNQSUFPLRW-JKSUJKDBSA-N 1 0 389.293 2.883 20 0 GFADRO O=C(c1ccc(OC(F)(F)F)c(Cl)c1)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000627272320 565731656 /nfs/dbraw/zinc/73/16/56/565731656.db2.gz MDTWDXCFDSPHLA-NWDGAFQWSA-N 1 0 378.778 2.520 20 0 GFADRO O=C(CCc1cc(Cl)ccc1Br)NC[C@H]1C[NH2+]CCCO1 ZINC000648827818 565732471 /nfs/dbraw/zinc/73/24/71/565732471.db2.gz QQSIWLXVRKETNE-CYBMUJFWSA-N 1 0 375.694 2.530 20 0 GFADRO Cn1nc2cc(Br)ccc2c1C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000648831064 565733181 /nfs/dbraw/zinc/73/31/81/565733181.db2.gz LHLWDDFSLFHLKO-WBMJQRKESA-N 1 0 391.313 2.892 20 0 GFADRO CC(C)[C@@H]1CN(C(=O)c2c3ccc(Br)cc3nn2C)CC[N@@H+]1C ZINC000648879310 565736701 /nfs/dbraw/zinc/73/67/01/565736701.db2.gz FIZHVKYLPNWJAI-HNNXBMFYSA-N 1 0 379.302 2.748 20 0 GFADRO Cn1ncc(Br)c1C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000648888534 565737205 /nfs/dbraw/zinc/73/72/05/565737205.db2.gz QJNUIZSSTARBOS-OAHLLOKOSA-N 1 0 391.313 2.825 20 0 GFADRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N(Cc1ccc(Cl)c(Cl)c1)C1CC1 ZINC000627461400 565737406 /nfs/dbraw/zinc/73/74/06/565737406.db2.gz OJDYQLXVQMAMQH-JKSUJKDBSA-N 1 0 384.307 2.741 20 0 GFADRO COc1cc(C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)cc(Br)c1OC ZINC000670785719 565737603 /nfs/dbraw/zinc/73/76/03/565737603.db2.gz VFXLMTJBWFKIKG-ZDUSSCGKSA-N 1 0 383.286 2.680 20 0 GFADRO Cc1cc(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)nn1-c1ccc(Br)cc1 ZINC000627652143 565745134 /nfs/dbraw/zinc/74/51/34/565745134.db2.gz SAMSZFBEVDSQED-QLPKVWCKSA-N 1 0 389.297 2.575 20 0 GFADRO CCN(CC[NH3+])CCOc1cc(Br)c(OC)cc1Br ZINC000600719316 565746703 /nfs/dbraw/zinc/74/67/03/565746703.db2.gz JSUZQDGSNNBNEX-UHFFFAOYSA-N 1 0 396.123 2.880 20 0 GFADRO O=C(c1cc(F)cc(Br)c1)N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000627739126 565749726 /nfs/dbraw/zinc/74/97/26/565749726.db2.gz ZVWRAYKQOUEQJT-UHFFFAOYSA-N 1 0 385.277 2.915 20 0 GFADRO C[C@@H](Oc1ccc(Br)cc1)C(=O)N1CCOC2(CC[NH+](C)CC2)C1 ZINC000649136038 565750242 /nfs/dbraw/zinc/75/02/42/565750242.db2.gz SUGZKODTECPBJI-CQSZACIVSA-N 1 0 397.313 2.540 20 0 GFADRO Cc1cc(NC(=O)C[NH2+]Cc2cccc(C(N)=O)c2)ccc1Br ZINC000600812097 565751234 /nfs/dbraw/zinc/75/12/34/565751234.db2.gz PZXGIWJHSIDIBZ-UHFFFAOYSA-N 1 0 376.254 2.585 20 0 GFADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)NCC(C)(C)c1c(Cl)cccc1Cl ZINC000600905737 565756291 /nfs/dbraw/zinc/75/62/91/565756291.db2.gz LMZIDQITWRCZSR-ZDUSSCGKSA-N 1 0 387.355 2.816 20 0 GFADRO O[C@H]1CCC[C@@H]1[NH+]1CCN(c2ncc(Br)cc2C(F)(F)F)CC1 ZINC000649267934 565757009 /nfs/dbraw/zinc/75/70/09/565757009.db2.gz KXTJTOQBZOYLKU-STQMWFEESA-N 1 0 394.235 2.898 20 0 GFADRO C[C@H](CNC(=O)N1CCN(c2cccc(Br)c2)CC1)[N@H+](C)C1CC1 ZINC000671207500 565757974 /nfs/dbraw/zinc/75/79/74/565757974.db2.gz TWKPCIUPUQMBQF-CQSZACIVSA-N 1 0 395.345 2.763 20 0 GFADRO COC(=O)[C@@H]1CCC[C@@H](n2cc([C@H]([NH3+])c3ccc(Br)cc3)nn2)C1 ZINC000600979661 565761313 /nfs/dbraw/zinc/76/13/13/565761313.db2.gz KSECZQQLPMDJOV-XNRPHZJLSA-N 1 0 393.285 2.993 20 0 GFADRO C[C@H]([NH2+]CCn1nc2ccccn2c1=O)c1ccc(F)c(Br)c1 ZINC000649674489 565772747 /nfs/dbraw/zinc/77/27/47/565772747.db2.gz XAUFQJISAIWEIN-NSHDSACASA-N 1 0 379.233 2.748 20 0 GFADRO C[C@H](C(=O)N1CCC([NH+]2CCOCC2)CC1)c1ccc(Br)s1 ZINC000628125066 565774178 /nfs/dbraw/zinc/77/41/78/565774178.db2.gz JCNQVNLCVBGMES-LBPRGKRZSA-N 1 0 387.343 2.937 20 0 GFADRO O=C(c1cc2cc(Br)ccc2[nH]1)N1CCC([NH+]2CCOCC2)CC1 ZINC000628127601 565776321 /nfs/dbraw/zinc/77/63/21/565776321.db2.gz QLJMNGNJRCNNSL-UHFFFAOYSA-N 1 0 392.297 2.867 20 0 GFADRO C[NH+](C)C[C@@H]1COC2(CCCC2)CN1C(=O)c1cc(O)cc(Br)c1 ZINC000628157799 565777078 /nfs/dbraw/zinc/77/70/78/565777078.db2.gz VTYLQSYLZMRSAS-OAHLLOKOSA-N 1 0 397.313 2.870 20 0 GFADRO COc1ccc(C[C@H](CO)C[NH2+]Cc2cc(C)c(Br)cn2)cc1O ZINC000628279701 565782055 /nfs/dbraw/zinc/78/20/55/565782055.db2.gz VPFPJZQTMCMFJF-AWEZNQCLSA-N 1 0 395.297 2.808 20 0 GFADRO CS(=O)(=O)NCC1CC[NH+](CCCc2ccc(C(F)(F)F)cc2)CC1 ZINC000671706406 565783082 /nfs/dbraw/zinc/78/30/82/565783082.db2.gz OHGKYFFCOFKXNY-UHFFFAOYSA-N 1 0 378.460 2.899 20 0 GFADRO CN1C[C@H]([N@H+](C)Cc2cnn(-c3ccc(Br)cc3)c2)CCC1=O ZINC000628368308 565786079 /nfs/dbraw/zinc/78/60/79/565786079.db2.gz ANENWSOMUUXCKW-MRXNPFEDSA-N 1 0 377.286 2.687 20 0 GFADRO O=C(c1c(F)cccc1I)N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000601555336 565791109 /nfs/dbraw/zinc/79/11/09/565791109.db2.gz DVAAQAXXBOIXSJ-MFKMUULPSA-N 1 0 388.224 2.644 20 0 GFADRO O=C(c1c(F)cccc1I)N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000601555335 565791263 /nfs/dbraw/zinc/79/12/63/565791263.db2.gz DVAAQAXXBOIXSJ-GXFFZTMASA-N 1 0 388.224 2.644 20 0 GFADRO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)Nc1cc(F)c(F)cc1I ZINC000601562363 565792484 /nfs/dbraw/zinc/79/24/84/565792484.db2.gz SPGHNLAQBRHYQJ-RNFRBKRXSA-N 1 0 381.164 2.523 20 0 GFADRO O=C(CN1CC[C@@H](c2cccc(Br)c2)C1)N1CCOC[C@@H]1C1CC1 ZINC000650009854 565792738 /nfs/dbraw/zinc/79/27/38/565792738.db2.gz NBHROKUXKLHDHT-SJLPKXTDSA-N 1 0 393.325 2.876 20 0 GFADRO C[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCOc4ccc(Br)cc43)C2)C1 ZINC000650051714 565794361 /nfs/dbraw/zinc/79/43/61/565794361.db2.gz IBBOZOVTNWWYED-KBXCAEBGSA-N 1 0 379.298 2.869 20 0 GFADRO CN(CC[NH+]1CCCCC1)C(=O)Nc1ccc(NS(C)(=O)=O)c(Cl)c1 ZINC000650049474 565794468 /nfs/dbraw/zinc/79/44/68/565794468.db2.gz ZSRZQFBGOYWRPB-UHFFFAOYSA-N 1 0 388.921 2.661 20 0 GFADRO C[C@H](NC(=O)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1)c1cccc(Cl)c1Cl ZINC000672311103 565802095 /nfs/dbraw/zinc/80/20/95/565802095.db2.gz VTIFFWBFLCJUKW-WCQYABFASA-N 1 0 384.307 2.771 20 0 GFADRO COc1cc(C(=O)NC[C@@H]2CCCC[N@H+](C)C2)cc(Br)c1OC ZINC000628755299 565805750 /nfs/dbraw/zinc/80/57/50/565805750.db2.gz VDHUXIPVQIIHFT-LBPRGKRZSA-N 1 0 385.302 2.928 20 0 GFADRO O=C1N[C@@H](CCF)C(=O)N1C1CCN(Cc2cccc(Br)c2)CC1 ZINC000650276262 565811267 /nfs/dbraw/zinc/81/12/67/565811267.db2.gz PZUOMDXHMSDJPN-HNNXBMFYSA-N 1 0 398.276 2.694 20 0 GFADRO O=C1CC[C@H]([NH2+]CCSCCOc2cccc(Br)c2)CCN1 ZINC000602009547 565815207 /nfs/dbraw/zinc/81/52/07/565815207.db2.gz XNQOOHYKFRTMBN-AWEZNQCLSA-N 1 0 387.343 2.819 20 0 GFADRO C[C@H](NC(=O)Nc1cccc2cc(Br)cnc21)[C@H]1CN(C)CCO1 ZINC000672774794 565816548 /nfs/dbraw/zinc/81/65/48/565816548.db2.gz RTEIDCCFILLQIS-XHDPSFHLSA-N 1 0 393.285 2.838 20 0 GFADRO C[N@@H+]1CCC[C@H](CNC(=O)c2ccc3[nH]cc(I)c3c2)C1 ZINC000602096985 565823376 /nfs/dbraw/zinc/82/33/76/565823376.db2.gz PBUXGGZELFUYIE-LLVKDONJSA-N 1 0 397.260 2.844 20 0 GFADRO C[C@@H]1C[C@@H](c2ccc(Br)cc2)CN1C(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000629248437 565831322 /nfs/dbraw/zinc/83/13/22/565831322.db2.gz VAHNBIBEVKFRSV-QGPMSJSTSA-N 1 0 392.341 2.543 20 0 GFADRO C[NH+](C)CCN1CCN(C(=O)c2cnc(-c3cccc(Cl)c3)s2)CC1 ZINC000651027748 565842298 /nfs/dbraw/zinc/84/22/98/565842298.db2.gz RMUQFYDTENPISC-UHFFFAOYSA-N 1 0 378.929 2.783 20 0 GFADRO COc1cc(C[NH2+][C@H](C(=O)N2CCCC2)C(C)C)cc(Br)c1O ZINC000673811673 565848032 /nfs/dbraw/zinc/84/80/32/565848032.db2.gz OEAZTNLBPRABFJ-HNNXBMFYSA-N 1 0 385.302 2.900 20 0 GFADRO CC[NH+](CC)CCO[C@@H]1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)C1 ZINC000673824679 565849199 /nfs/dbraw/zinc/84/91/99/565849199.db2.gz PIILPAGBALWOMY-CYBMUJFWSA-N 1 0 378.897 2.601 20 0 GFADRO O=C(CCC1C[NH2+]C1)N1CCC[C@H]1c1ccccc1I ZINC000602463686 565849603 /nfs/dbraw/zinc/84/96/03/565849603.db2.gz MEVTVMVDHWOZBV-HNNXBMFYSA-N 1 0 384.261 2.954 20 0 GFADRO COCC[NH+]1CCC(NC(=O)[C@@H]2CCOc3ccc(Br)cc32)CC1 ZINC000651180657 565849891 /nfs/dbraw/zinc/84/98/91/565849891.db2.gz BRTSLNYSBLZLMY-OAHLLOKOSA-N 1 0 397.313 2.542 20 0 GFADRO CCC1([NH+]2CCOCC2)CCN(C(=O)c2nscc2Br)CC1 ZINC000629414681 565850611 /nfs/dbraw/zinc/85/06/11/565850611.db2.gz RCTZMFQJMXEXBC-UHFFFAOYSA-N 1 0 388.331 2.623 20 0 GFADRO [NH3+][C@H]1CC=C(C(=O)NCc2cc(Cl)cc(I)c2)C1 ZINC000602516285 565852563 /nfs/dbraw/zinc/85/25/63/565852563.db2.gz XONJMNNDMZWGJY-LBPRGKRZSA-N 1 0 376.625 2.608 20 0 GFADRO O=C1C[C@H]([C@@H]2CCCC[N@H+]2Cc2ccc(I)s2)CN1 ZINC000602493892 565853041 /nfs/dbraw/zinc/85/30/41/565853041.db2.gz NAZSERJZENGTEX-JQWIXIFHSA-N 1 0 390.290 2.843 20 0 GFADRO COC(=O)c1sc2c(c1Br)CN(C(=O)c1oc(C[NH3+])cc1C)C2 ZINC000602533525 565854199 /nfs/dbraw/zinc/85/41/99/565854199.db2.gz IFWDWXPUNLVKKM-UHFFFAOYSA-N 1 0 399.266 2.813 20 0 GFADRO [NH3+]CC12CCC(CC1)CN2[C@H]1CCc2cc(Br)ccc2NC1=O ZINC000629548940 565857960 /nfs/dbraw/zinc/85/79/60/565857960.db2.gz OZMLJXHCMUFEPZ-IBFVRDEOSA-N 1 0 378.314 2.906 20 0 GFADRO COc1ncc(Br)cc1CN1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629564706 565859364 /nfs/dbraw/zinc/85/93/64/565859364.db2.gz UCNJUUPMQWMSRW-PWSUYJOCSA-N 1 0 382.224 2.812 20 0 GFADRO O[C@H](C[NH2+]C[C@@H]1Cc2ccccc2CO1)COc1ccc(Br)cc1 ZINC000629587287 565860820 /nfs/dbraw/zinc/86/08/20/565860820.db2.gz GRUGMDZWBBELTA-MJGOQNOKSA-N 1 0 392.293 2.920 20 0 GFADRO COCCOC[C@H](O)C[NH2+][C@H]1CCCSc2ccc(Br)cc21 ZINC000629594136 565861632 /nfs/dbraw/zinc/86/16/32/565861632.db2.gz KQLXECMTOIPTNS-HIFRSBDPSA-N 1 0 390.343 2.990 20 0 GFADRO O[C@@H](C[NH2+]CC[C@@H]1CCCOC1)COc1cc(F)cc(Br)c1 ZINC000629589598 565861679 /nfs/dbraw/zinc/86/16/79/565861679.db2.gz WKAKRUUEWQRLCC-WFASDCNBSA-N 1 0 376.266 2.734 20 0 GFADRO O[C@H](C[NH2+]C[C@H](n1cccn1)C(F)(F)F)COCc1ccccc1Cl ZINC000629601729 565863034 /nfs/dbraw/zinc/86/30/34/565863034.db2.gz UMDVDJOXHOECTF-HIFRSBDPSA-N 1 0 377.794 2.807 20 0 GFADRO Cc1cc(N2CC([N@@H+]3CC[C@@H](O)C3)C2)c2cc(Br)cc(F)c2n1 ZINC000651452501 565864243 /nfs/dbraw/zinc/86/42/43/565864243.db2.gz NYIQAYCTUQSXHM-CYBMUJFWSA-N 1 0 380.261 2.700 20 0 GFADRO Ic1ccc(C[NH2+]C2CCN([C@H]3CCOC3)CC2)s1 ZINC000602719177 565865195 /nfs/dbraw/zinc/86/51/95/565865195.db2.gz USPHVHOCPQQNLQ-LBPRGKRZSA-N 1 0 392.306 2.696 20 0 GFADRO O=C(c1nscc1Br)N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000651494247 565865616 /nfs/dbraw/zinc/86/56/16/565865616.db2.gz YVPLVAQTGYPQBJ-GFCCVEGCSA-N 1 0 388.331 2.623 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1cc(=O)c2cc(Br)ccc2[nH]1 ZINC000602751928 565866633 /nfs/dbraw/zinc/86/66/33/565866633.db2.gz RPGSWMNGDGPATP-ZBFHGGJFSA-N 1 0 390.281 2.647 20 0 GFADRO CC[C@@H](C[NH+]1CCCC1)NS(=O)(=O)c1ccc(OCC(F)(F)F)cc1 ZINC000674346176 565870421 /nfs/dbraw/zinc/87/04/21/565870421.db2.gz IZTCFYKYTNTIED-ZDUSSCGKSA-N 1 0 380.432 2.780 20 0 GFADRO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)Nc1cc(Br)c(F)cc1Cl ZINC000674405137 565872845 /nfs/dbraw/zinc/87/28/45/565872845.db2.gz ALBCZVBVWCROEJ-QMMMGPOBSA-N 1 0 394.672 2.637 20 0 GFADRO Cc1cc(Br)sc1S(=O)(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000651573612 565873867 /nfs/dbraw/zinc/87/38/67/565873867.db2.gz AKWCSFGIILKPNU-LBPRGKRZSA-N 1 0 393.372 2.925 20 0 GFADRO C[C@H](NC(=O)C[N@H+](C)C1CCC1)c1cc2c(cc1Br)OCCO2 ZINC000629950722 565876814 /nfs/dbraw/zinc/87/68/14/565876814.db2.gz YJHIUZPEBUAHKN-NSHDSACASA-N 1 0 383.286 2.882 20 0 GFADRO C[NH2+]C1(CNC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2ccc(Cl)c(Cl)c2)CCC1 ZINC000630003693 565879323 /nfs/dbraw/zinc/87/93/23/565879323.db2.gz DMGMVXRWLDLVJI-BLLLJJGKSA-N 1 0 384.307 2.771 20 0 GFADRO CC[NH+](CC)[C@H](CNc1ncccc1S(N)(=O)=O)c1ccccc1Cl ZINC000603023522 565879960 /nfs/dbraw/zinc/87/99/60/565879960.db2.gz CGMDBAJNFZUZDA-OAHLLOKOSA-N 1 0 382.917 2.877 20 0 GFADRO CC[C@@H]1Cc2c(Br)cccc2C[N@@H+]1C[C@H](O)CC1(O)CCOCC1 ZINC000630041207 565880853 /nfs/dbraw/zinc/88/08/53/565880853.db2.gz KMSUMFIGNBUNNI-HZPDHXFCSA-N 1 0 398.341 2.878 20 0 GFADRO [NH3+]CCSCc1cn(CCOc2ccc(Cl)cc2Br)nn1 ZINC000603183396 565889260 /nfs/dbraw/zinc/88/92/60/565889260.db2.gz WDVJZMAIBGIQGY-UHFFFAOYSA-N 1 0 391.722 2.965 20 0 GFADRO Cc1cc(Br)sc1S(=O)(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000651729633 565889268 /nfs/dbraw/zinc/88/92/68/565889268.db2.gz MNWRUCGHJGGEBC-FGWVZKOKSA-N 1 0 379.345 2.723 20 0 GFADRO C[NH+](C)C[C@@H](CNS(=O)(=O)CCC[C@H]1CCOC1)c1ccc(Cl)cc1 ZINC000651765005 565890738 /nfs/dbraw/zinc/89/07/38/565890738.db2.gz ZZVHETSUUYCRMM-DOTOQJQBSA-N 1 0 388.961 2.721 20 0 GFADRO O=C1C[C@@H](C[NH2+]Cc2cn(-c3cccc(Cl)c3Cl)nn2)CN1C1CC1 ZINC000651992618 565909915 /nfs/dbraw/zinc/90/99/15/565909915.db2.gz LNYBNVBMTIIXGS-NSHDSACASA-N 1 0 380.279 2.675 20 0 GFADRO C[NH+]1CCN(CCCNC(=O)c2oc3ccccc3c2Br)CC1 ZINC000630559259 565910609 /nfs/dbraw/zinc/91/06/09/565910609.db2.gz QDCIEQLGTOYPQE-UHFFFAOYSA-N 1 0 380.286 2.563 20 0 GFADRO CC(C)C[C@@H](CNC(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1)[NH+](C)C ZINC000603892492 565917910 /nfs/dbraw/zinc/91/79/10/565917910.db2.gz TZRHVKUUJVLYEA-HNNXBMFYSA-N 1 0 386.945 2.739 20 0 GFADRO C[C@H](CNC(=O)NCCC1CC[NH2+]CC1)Oc1cccc(Br)c1 ZINC000652161763 565918687 /nfs/dbraw/zinc/91/86/87/565918687.db2.gz WTUHOGMTGZIOOL-CYBMUJFWSA-N 1 0 384.318 2.905 20 0 GFADRO C[C@@H](CNC(=O)NCCC1CC[NH2+]CC1)Oc1ccc(Br)cc1 ZINC000652160989 565918934 /nfs/dbraw/zinc/91/89/34/565918934.db2.gz CDQBXOPHZJGVOE-ZDUSSCGKSA-N 1 0 384.318 2.905 20 0 GFADRO CC(C)[N@@H+]1CC[C@H](CNC(=O)c2ccc3cncc(Br)c3n2)C1 ZINC000630842040 565922775 /nfs/dbraw/zinc/92/27/75/565922775.db2.gz OVUWRWHYOGOPTI-GFCCVEGCSA-N 1 0 377.286 2.852 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(S(=O)(=O)Cc3ccc(F)c(Cl)c3)C2)C1 ZINC000652374413 565925965 /nfs/dbraw/zinc/92/59/65/565925965.db2.gz QSTQOZICFDNRAC-CPUCHLNUSA-N 1 0 390.908 2.527 20 0 GFADRO C[C@@H]1Cc2cc(S(=O)(=O)NCc3ccc(C[NH3+])cc3F)cc(Cl)c2O1 ZINC000652381459 565926594 /nfs/dbraw/zinc/92/65/94/565926594.db2.gz HPPOGYABCYOTEY-SNVBAGLBSA-N 1 0 384.860 2.740 20 0 GFADRO COC(=O)C[C@@H]1CCCC[N@@H+]1C[C@H](O)COc1ccc(Br)cc1 ZINC000604306498 565926938 /nfs/dbraw/zinc/92/69/38/565926938.db2.gz VUSJYAYNLHWVLH-GJZGRUSLSA-N 1 0 386.286 2.606 20 0 GFADRO CC1CCC([NH+]2CCN(C(=O)CCn3cc(Br)cn3)CC2)CC1 ZINC000604294760 565927074 /nfs/dbraw/zinc/92/70/74/565927074.db2.gz CAKLSJVTEWWQSY-UHFFFAOYSA-N 1 0 383.334 2.759 20 0 GFADRO C[NH2+]Cc1ccccc1CNS(=O)(=O)c1ccc(C)c(Br)c1 ZINC000652381835 565927488 /nfs/dbraw/zinc/92/74/88/565927488.db2.gz URXHFFDZXPEMCG-UHFFFAOYSA-N 1 0 383.311 2.955 20 0 GFADRO C[C@@H](Cc1ccc(Br)cc1)[NH2+]Cc1cn(C[C@H]2CCOC2)nn1 ZINC000631042345 565934980 /nfs/dbraw/zinc/93/49/80/565934980.db2.gz JCUFESQDIQSBGT-DZGCQCFKSA-N 1 0 379.302 2.798 20 0 GFADRO Fc1ccc(CC[NH2+]Cc2cn(C[C@H]3CCOC3)nn2)cc1Br ZINC000631053616 565936143 /nfs/dbraw/zinc/93/61/43/565936143.db2.gz MGPKLADYEMRERZ-CYBMUJFWSA-N 1 0 383.265 2.549 20 0 GFADRO C[C@@H](NC(=O)C(=O)NCCC1CC[NH2+]CC1)c1cc(F)c(Cl)cc1Cl ZINC000652666945 565937471 /nfs/dbraw/zinc/93/74/71/565937471.db2.gz YJTARILYSNWCDW-SNVBAGLBSA-N 1 0 390.286 2.816 20 0 GFADRO CC[C@H]1C[N@H+](C)CCN1C(=O)Nc1ccc(S(C)(=O)=O)c(C(F)F)c1 ZINC000652829381 565942287 /nfs/dbraw/zinc/94/22/87/565942287.db2.gz ZGJPUJMJRKRVRG-LBPRGKRZSA-N 1 0 375.441 2.586 20 0 GFADRO O=C(c1cc(Cl)cc(Br)c1)N1CCN([C@H]2CCC[C@H]2O)CC1 ZINC000676575233 565942766 /nfs/dbraw/zinc/94/27/66/565942766.db2.gz VAESPYIYBZTVGR-LSDHHAIUSA-N 1 0 387.705 2.774 20 0 GFADRO CCOCCO[C@H]1CC[N@H+](C[C@@H](O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000676743967 565946433 /nfs/dbraw/zinc/94/64/33/565946433.db2.gz FPYLFRUIGBJTQR-HIFRSBDPSA-N 1 0 378.296 2.861 20 0 GFADRO CC(C)[C@H](O)[C@@H]([NH2+]Cc1ccc(Cl)c(S(N)(=O)=O)c1)c1ccccc1 ZINC000631179189 565947144 /nfs/dbraw/zinc/94/71/44/565947144.db2.gz ZTUAXNYTASKFPG-ROUUACIJSA-N 1 0 382.913 2.835 20 0 GFADRO COc1ccc(Br)c(CNCc2nnc(C3CCOCC3)[nH]2)c1 ZINC000631212202 565948577 /nfs/dbraw/zinc/94/85/77/565948577.db2.gz BMEOMMQTTVUSSC-UHFFFAOYSA-N 1 0 381.274 2.760 20 0 GFADRO C[C@H](NC(=O)CN1CC[NH+](C(C)(C)CO)CC1)c1ccc(Cl)cc1Cl ZINC000605420667 565950928 /nfs/dbraw/zinc/95/09/28/565950928.db2.gz VDPQARWENRBCQW-ZDUSSCGKSA-N 1 0 388.339 2.559 20 0 GFADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)CSc1nnc(-c2cccs2)n1C ZINC000605371744 565951516 /nfs/dbraw/zinc/95/15/16/565951516.db2.gz BNLYVWWZESDCSI-ZDUSSCGKSA-N 1 0 379.555 2.626 20 0 GFADRO O=C(Nc1nc(-c2cccc(Br)c2)cs1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653057459 565953474 /nfs/dbraw/zinc/95/34/74/565953474.db2.gz CDGOQZVVHYJOOK-ZBEGNZNMSA-N 1 0 394.294 2.747 20 0 GFADRO COc1cc(Br)c(CNC(=O)[C@@H]2CC[C@@H](C3CC3)[NH2+]2)cc1OC ZINC000653085581 565953973 /nfs/dbraw/zinc/95/39/73/565953973.db2.gz QNJNDLNMAQSMOH-KBPBESRZSA-N 1 0 383.286 2.613 20 0 GFADRO O[C@H](COc1ccc(Cl)c(Cl)c1)C[N@@H+]1CCC[C@@H](Cn2ccnn2)C1 ZINC000676899685 565954607 /nfs/dbraw/zinc/95/46/07/565954607.db2.gz DJLMJYNAUNEVGK-KGLIPLIRSA-N 1 0 385.295 2.737 20 0 GFADRO C[C@H]1Cc2cc(S(=O)(=O)N3CCC[C@@H]3C[NH+]3CCCC3)cc(Cl)c2O1 ZINC000605582923 565954937 /nfs/dbraw/zinc/95/49/37/565954937.db2.gz HHWRWZNXYMHOKP-DZGCQCFKSA-N 1 0 384.929 2.912 20 0 GFADRO C[NH+](C)CC[C@@H](N)C(=O)Nc1ccc(Oc2cccc(Br)c2)nc1 ZINC000653115489 565955213 /nfs/dbraw/zinc/95/52/13/565955213.db2.gz QGYAIAKXVSHPFH-OAHLLOKOSA-N 1 0 393.285 2.854 20 0 GFADRO O=C(NCCOc1ncc(C(F)(F)F)cc1Cl)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653122129 565955554 /nfs/dbraw/zinc/95/55/54/565955554.db2.gz NGAJHXLMMIAWOR-OLZOCXBDSA-N 1 0 377.794 2.779 20 0 GFADRO CC(C)c1n[nH]c(C(=O)N2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)c1Br ZINC000653186019 565957357 /nfs/dbraw/zinc/95/73/57/565957357.db2.gz GEGGBHMDNWOBRE-RWMBFGLXSA-N 1 0 399.333 2.654 20 0 GFADRO O=C(NCc1nc(-c2cccc(Br)c2)no1)[C@H]1CCC[NH2+]CC1 ZINC000653160832 565957381 /nfs/dbraw/zinc/95/73/81/565957381.db2.gz YFORDJXOACSDOE-NSHDSACASA-N 1 0 379.258 2.505 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(C(=O)c3cc(F)cc(Br)c3)C2)C1 ZINC000653187749 565958342 /nfs/dbraw/zinc/95/83/42/565958342.db2.gz BGVBRIIKTDMAEW-LYRGGWFBSA-N 1 0 385.277 2.947 20 0 GFADRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1ccc2cncc(Br)c2n1 ZINC000631465167 565958600 /nfs/dbraw/zinc/95/86/00/565958600.db2.gz LXLKHVRNWQSWHB-XHDPSFHLSA-N 1 0 377.286 2.805 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2C(=O)COc2ccccc2Br)C1 ZINC000653261040 565960369 /nfs/dbraw/zinc/96/03/69/565960369.db2.gz NSVBLPFUMFNQJO-UNEWFSDZSA-N 1 0 397.313 2.715 20 0 GFADRO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCCN2C(=O)COc2ccccc2Br)C1 ZINC000653261039 565960537 /nfs/dbraw/zinc/96/05/37/565960537.db2.gz NSVBLPFUMFNQJO-UKPHBRMFSA-N 1 0 397.313 2.715 20 0 GFADRO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCCN2C(=O)Cc2cccc(Br)c2)C1 ZINC000653266075 565960725 /nfs/dbraw/zinc/96/07/25/565960725.db2.gz XFCYQWHYNFDBCR-BRWVUGGUSA-N 1 0 381.314 2.879 20 0 GFADRO C[C@@H](CCc1ccc(OC(F)F)cc1)[NH2+]CCCN1CCCS1(=O)=O ZINC000631656478 565966255 /nfs/dbraw/zinc/96/62/55/565966255.db2.gz SKTKRDIPHYIZNI-AWEZNQCLSA-N 1 0 376.469 2.624 20 0 GFADRO CC[C@H]([NH2+][C@@H](C)[C@@H](O)C(F)(F)F)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000631716398 565969706 /nfs/dbraw/zinc/96/97/06/565969706.db2.gz LDECQSGVVXPXNH-LJUAHTATSA-N 1 0 388.839 2.601 20 0 GFADRO C[C@H](CNS(=O)(=O)Cc1ncsc1Br)[N@@H+]1CCCC[C@H]1C ZINC000631743677 565971198 /nfs/dbraw/zinc/97/11/98/565971198.db2.gz ZHFJRMXSDWVJQN-GHMZBOCLSA-N 1 0 396.376 2.588 20 0 GFADRO Clc1cc2c(c(Cl)c1)[C@H]([NH2+][C@@H]1CCN(CCN3CCOCC3)C1)CC2 ZINC000677654645 565980851 /nfs/dbraw/zinc/98/08/51/565980851.db2.gz XVZNYYJTHFVDGA-SJLPKXTDSA-N 1 0 384.351 2.977 20 0 GFADRO COCCO[C@@H]1CCC[N@H+](C[C@H](O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000677710809 565982194 /nfs/dbraw/zinc/98/21/94/565982194.db2.gz VFHVCNDWBDZGPB-DZGCQCFKSA-N 1 0 378.296 2.861 20 0 GFADRO C[NH+](C)CCn1cc(NCc2cn(-c3cccc(Cl)c3Cl)nn2)cn1 ZINC000677749024 565982792 /nfs/dbraw/zinc/98/27/92/565982792.db2.gz GRZTXWMVTIGNCG-UHFFFAOYSA-N 1 0 380.283 2.944 20 0 GFADRO C[C@@H]1c2cc(Cl)cc(Cl)c2CCN1S(=O)(=O)N(C)C1CC[NH2+]CC1 ZINC000631926378 565983775 /nfs/dbraw/zinc/98/37/75/565983775.db2.gz VWFHBEBYMBNLFS-LLVKDONJSA-N 1 0 392.352 2.841 20 0 GFADRO CN(C1(C[NH3+])CCC1)S(=O)(=O)c1cnc2c(Br)csc2c1 ZINC000631941169 565984606 /nfs/dbraw/zinc/98/46/06/565984606.db2.gz PSRXEUWYNKBHJM-UHFFFAOYSA-N 1 0 390.328 2.561 20 0 GFADRO CCn1cnnc1CC[NH2+]Cc1cn(-c2ccc(Br)cc2)nc1C ZINC000677850336 565985740 /nfs/dbraw/zinc/98/57/40/565985740.db2.gz FAYSBYJWMRMAND-UHFFFAOYSA-N 1 0 389.301 2.887 20 0 GFADRO Cc1cc(Cl)c(Br)cc1S(=O)(=O)N1CC[C@H]([NH3+])C[C@@H]1C ZINC000631949076 565985996 /nfs/dbraw/zinc/98/59/96/565985996.db2.gz XFQBRXBACRFOAX-UWVGGRQHSA-N 1 0 381.723 2.911 20 0 GFADRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1oc2ccccc2c1Br ZINC000631960527 565986559 /nfs/dbraw/zinc/98/65/59/565986559.db2.gz REMFNWKUBQQEHV-GFCCVEGCSA-N 1 0 381.270 2.772 20 0 GFADRO [NH3+]Cc1ccc2c(c1)N(S(=O)(=O)Cc1ccc(Br)cc1)CCO2 ZINC000631958736 565986828 /nfs/dbraw/zinc/98/68/28/565986828.db2.gz BGLROTGTZOGOIJ-UHFFFAOYSA-N 1 0 397.294 2.637 20 0 GFADRO CN(C(=O)[C@@]12CCC(=O)N1c1cc(Cl)ccc1S2)[C@@H]1CCC[N@H+](C)C1 ZINC000607687068 565987430 /nfs/dbraw/zinc/98/74/30/565987430.db2.gz AGMVHEVJHYYJCA-ACJLOTCBSA-N 1 0 379.913 2.821 20 0 GFADRO C[C@@H]1CN(C(=O)CCCc2cccc(Br)c2)C[C@H](C)[N@H+]1CCO ZINC000653886726 565987533 /nfs/dbraw/zinc/98/75/33/565987533.db2.gz ZWONCFJOUYWHLZ-GASCZTMLSA-N 1 0 383.330 2.685 20 0 GFADRO C[N@@H+]1CCC[C@H](CNS(=O)(=O)CCC[NH+]2CCCC2)[C@@H]1c1cccs1 ZINC000632027793 565991817 /nfs/dbraw/zinc/99/18/17/565991817.db2.gz NQYXZBYFWIYHJY-SJLPKXTDSA-N 1 0 385.599 2.536 20 0 GFADRO Cc1ccc(C[NH2+][C@@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)cc1Br ZINC000678075975 565997581 /nfs/dbraw/zinc/99/75/81/565997581.db2.gz JDBPCPKLECIEQB-BLLLJJGKSA-N 1 0 377.286 2.775 20 0 GFADRO C[NH+](C)CCN(Cc1ccco1)S(=O)(=O)c1cscc1Br ZINC000632090878 565998448 /nfs/dbraw/zinc/99/84/48/565998448.db2.gz STOXSEWOWYJARL-UHFFFAOYSA-N 1 0 393.328 2.856 20 0 GFADRO COc1cc(Br)c(CN2CC[NH+](C[C@H]3CCCO3)CC2)c(OC)c1 ZINC000678125347 565999932 /nfs/dbraw/zinc/99/99/32/565999932.db2.gz RKTXOZFENBZLNV-CQSZACIVSA-N 1 0 399.329 2.763 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)N2CCOc3cccc(Br)c3C2)C[N@@H+]1C1CC1 ZINC000654481858 566011459 /nfs/dbraw/zinc/01/14/59/566011459.db2.gz QHHXIOSQIFLTFB-OLZOCXBDSA-N 1 0 394.313 2.978 20 0 GFADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)Nc1c(F)cc(Br)cc1F ZINC000608331672 566011511 /nfs/dbraw/zinc/01/15/11/566011511.db2.gz OJSNOPCGSBBODJ-NSHDSACASA-N 1 0 392.244 2.960 20 0 GFADRO C[C@@H](Cc1ccc(Br)cc1F)[NH2+][C@@H]1CCN(C2CCOCC2)C1=O ZINC000678593899 566013111 /nfs/dbraw/zinc/01/31/11/566013111.db2.gz AXYLRSHFDWAJER-YVEFUNNKSA-N 1 0 399.304 2.889 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)C[NH2+][C@H](C(=O)N1CCCC1)C(C)C ZINC000678777997 566020542 /nfs/dbraw/zinc/02/05/42/566020542.db2.gz GAOMZLCPDLIRBS-KRWDZBQOSA-N 1 0 396.329 2.933 20 0 GFADRO CC[C@H](C)[N@H+](C)CCNC(=O)COc1ccc(I)cc1 ZINC000608915348 566027875 /nfs/dbraw/zinc/02/78/75/566027875.db2.gz APVGOZPXRGRUAI-LBPRGKRZSA-N 1 0 390.265 2.517 20 0 GFADRO O=C(Nc1ccc(F)cc1Br)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000654945275 566031362 /nfs/dbraw/zinc/03/13/62/566031362.db2.gz AGBUXPJMUYXXQS-LSDHHAIUSA-N 1 0 398.276 2.660 20 0 GFADRO Cc1ccc(NC(=O)C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)cc1Br ZINC000654945479 566031417 /nfs/dbraw/zinc/03/14/17/566031417.db2.gz BVURRRCEFOTLJO-JKSUJKDBSA-N 1 0 394.313 2.829 20 0 GFADRO O=C(Nc1c(F)cccc1Br)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000654946440 566031613 /nfs/dbraw/zinc/03/16/13/566031613.db2.gz KAYFIZSBZHOWDA-KBPBESRZSA-N 1 0 398.276 2.660 20 0 GFADRO O=C(Nc1cc(Br)ccc1F)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000654947050 566031625 /nfs/dbraw/zinc/03/16/25/566031625.db2.gz OLNMTMOPVLAJIT-HIFRSBDPSA-N 1 0 398.276 2.660 20 0 GFADRO Cc1nc(-c2ccc(C(=O)N[C@H](C)CC[NH+]3CCN(C)CC3)s2)cs1 ZINC000632527108 566040372 /nfs/dbraw/zinc/04/03/72/566040372.db2.gz MQNRMMPLKRQWFF-CYBMUJFWSA-N 1 0 378.567 2.936 20 0 GFADRO O=C(CCC[S@@](=O)c1ccc(Br)cc1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000609548726 566044644 /nfs/dbraw/zinc/04/46/44/566044644.db2.gz ZXILSCSSVIPYIK-LFVRLGFBSA-N 1 0 399.354 2.690 20 0 GFADRO Cc1nc(-c2cccc(Cl)c2)sc1C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000655299078 566050791 /nfs/dbraw/zinc/05/07/91/566050791.db2.gz HRHHKBWIMMPFKE-LSDHHAIUSA-N 1 0 377.897 2.663 20 0 GFADRO Cc1nc(CS(=O)(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)cs1 ZINC000632616672 566050977 /nfs/dbraw/zinc/05/09/77/566050977.db2.gz HIBQBTGDTQPENH-RHSMWYFYSA-N 1 0 379.551 2.639 20 0 GFADRO O=C(N[C@H](C[C@@H]1CCCO1)C(F)(F)F)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000655337024 566053734 /nfs/dbraw/zinc/05/37/34/566053734.db2.gz JQMZEGYXTXQBLZ-SOUVJXGZSA-N 1 0 380.476 2.820 20 0 GFADRO CO[C@H](C(=O)NCCC[NH2+]Cc1cccnc1)c1ccccc1Br ZINC000655412240 566056389 /nfs/dbraw/zinc/05/63/89/566056389.db2.gz PFLJMRPXRWIUPU-KRWDZBQOSA-N 1 0 392.297 2.828 20 0 GFADRO O=C(NCc1nc(-c2cccc(Br)c2)no1)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000655477801 566058371 /nfs/dbraw/zinc/05/83/71/566058371.db2.gz ZHODISYSCBXBDD-GUYCJALGSA-N 1 0 391.269 2.505 20 0 GFADRO O=C(NCc1noc(-c2cccc(Br)c2)n1)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000655477132 566058718 /nfs/dbraw/zinc/05/87/18/566058718.db2.gz AKMSQUULRWMAJC-SUMWQHHRSA-N 1 0 391.269 2.505 20 0 GFADRO COCC[C@H](Cc1cccc(Br)c1)C(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000655513020 566062916 /nfs/dbraw/zinc/06/29/16/566062916.db2.gz NVFZDPZVAUWTBT-YPMHNXCESA-N 1 0 397.235 2.650 20 0 GFADRO CO[C@@H](C[NH3+])CC(=O)N1CCN(c2cc(Cl)c(Cl)c(Cl)c2)CC1 ZINC000655524860 566063358 /nfs/dbraw/zinc/06/33/58/566063358.db2.gz IBXVLJHHKIJJHT-LLVKDONJSA-N 1 0 380.703 2.659 20 0 GFADRO COCC[NH2+]CC(=O)N1CCN(c2cc(Cl)c(Cl)c(Cl)c2)CC1 ZINC000655525821 566063615 /nfs/dbraw/zinc/06/36/15/566063615.db2.gz TZCLXFBTHLGEEE-UHFFFAOYSA-N 1 0 380.703 2.531 20 0 GFADRO C[NH+](C)C[C@]1(O)CCCN(C(=O)[C@H]2C[C@]2(C)c2cccc(Br)c2)C1 ZINC000632773447 566067080 /nfs/dbraw/zinc/06/70/80/566067080.db2.gz OZPPJEAQSMOAOZ-BHIYHBOVSA-N 1 0 395.341 2.642 20 0 GFADRO Cc1c(Br)cccc1CS(=O)(=O)N(C)CC[N@H+](C)C1CC1 ZINC000655556315 566067203 /nfs/dbraw/zinc/06/72/03/566067203.db2.gz IJNNNSNKSKYKDY-UHFFFAOYSA-N 1 0 375.332 2.613 20 0 GFADRO O=C(c1cnn(-c2cccc(Br)c2)c1)N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000632860782 566070869 /nfs/dbraw/zinc/07/08/69/566070869.db2.gz MSSQFOPTQPAORJ-SUMWQHHRSA-N 1 0 389.297 2.849 20 0 GFADRO O=C(Nc1cccc(Oc2ncc(Br)cn2)c1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000632924059 566074364 /nfs/dbraw/zinc/07/43/64/566074364.db2.gz UQJSJVHELSXDHW-STQMWFEESA-N 1 0 390.241 2.609 20 0 GFADRO O=C(Nc1cccc2c(Br)ccnc12)N1CCC([NH2+]CCO)CC1 ZINC000632952385 566076146 /nfs/dbraw/zinc/07/61/46/566076146.db2.gz IRMKPGQROCHXAU-UHFFFAOYSA-N 1 0 393.285 2.576 20 0 GFADRO Cc1ccc([C@@H](CNC(=O)NCc2c(Br)cnn2C)[NH+](C)C)cc1 ZINC000632981386 566078533 /nfs/dbraw/zinc/07/85/33/566078533.db2.gz LENOSBDZWZEZAR-OAHLLOKOSA-N 1 0 394.317 2.593 20 0 GFADRO COc1ccc(CN2CCC[N@H+](C[C@H]3CCCO3)CC2)c(Br)c1O ZINC000680650709 566079496 /nfs/dbraw/zinc/07/94/96/566079496.db2.gz OYZQSSHSSDCYBY-OAHLLOKOSA-N 1 0 399.329 2.850 20 0 GFADRO [NH3+]CC[C@H](NC(=O)C(=O)Nc1nc(C2CCCCC2)cs1)C(F)(F)F ZINC000633005658 566079789 /nfs/dbraw/zinc/07/97/89/566079789.db2.gz MELWFOJPOZHVPB-NSHDSACASA-N 1 0 378.420 2.525 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N[C@H]2CC[C@H](C[NH3+])CC2)c(Br)c1 ZINC000633036169 566080542 /nfs/dbraw/zinc/08/05/42/566080542.db2.gz JUCWGRDLVFWHFW-JOCQHMNTSA-N 1 0 382.302 2.638 20 0 GFADRO COc1cc(Cl)c(S(=O)(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)cc1OC ZINC000655667838 566080734 /nfs/dbraw/zinc/08/07/34/566080734.db2.gz JLJHGYHRGKQDMO-UONOGXRCSA-N 1 0 388.917 2.652 20 0 GFADRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1cc(Br)c2nccn2c1 ZINC000633065773 566082952 /nfs/dbraw/zinc/08/29/52/566082952.db2.gz RDJDHHWQRLVICJ-IUODEOHRSA-N 1 0 377.286 2.796 20 0 GFADRO Cc1nn(-c2cccc(Br)c2)cc1C[NH2+]CCNC(=O)C1CC1 ZINC000655710059 566083105 /nfs/dbraw/zinc/08/31/05/566083105.db2.gz AKZDZGSXJIOVJU-UHFFFAOYSA-N 1 0 377.286 2.559 20 0 GFADRO Cc1ccc(-c2ncc(C[NH2+]CCCN3CCCS3(=O)=O)s2)cc1C ZINC000655730317 566083576 /nfs/dbraw/zinc/08/35/76/566083576.db2.gz RMUIBNVRPVSJFX-UHFFFAOYSA-N 1 0 379.551 2.942 20 0 GFADRO CN(CCC[N@H+](C)Cc1ccncc1)C(=O)c1c(F)cncc1Br ZINC000633108381 566083736 /nfs/dbraw/zinc/08/37/36/566083736.db2.gz XMHGRHGVNSJXGW-UHFFFAOYSA-N 1 0 395.276 2.972 20 0 GFADRO CNC(=O)[C@@H]([NH2+]Cc1cn(-c2cccc(Br)c2)nc1C)C(C)C ZINC000655751542 566085863 /nfs/dbraw/zinc/08/58/63/566085863.db2.gz HVZAZNSBKWSZTA-INIZCTEOSA-N 1 0 379.302 2.803 20 0 GFADRO O=c1cc(C[N@@H+]2CC[C@@H](Cc3ccncc3)C2)nc2ccc(Br)cn12 ZINC000680888659 566086392 /nfs/dbraw/zinc/08/63/92/566086392.db2.gz CWOIQSHSTUHZCI-HNNXBMFYSA-N 1 0 399.292 2.917 20 0 GFADRO Cc1nn(-c2ccccc2Br)cc1C[NH2+]CC1(CO)CCOCC1 ZINC000655753101 566087517 /nfs/dbraw/zinc/08/75/17/566087517.db2.gz UOUYDFRDHAIYRI-UHFFFAOYSA-N 1 0 394.313 2.822 20 0 GFADRO Cc1nn(-c2cccc(Br)c2)cc1C[NH2+]CCC1(O)CCOCC1 ZINC000655773259 566088450 /nfs/dbraw/zinc/08/84/50/566088450.db2.gz ZLWKPCJXSFHLPF-UHFFFAOYSA-N 1 0 394.313 2.964 20 0 GFADRO C[C@H](NC(=O)c1cnn(CC[NH+](C)C)c1)c1ccc(F)c(Br)c1 ZINC000633206036 566089531 /nfs/dbraw/zinc/08/95/31/566089531.db2.gz BJIWOJZJVKGEGL-NSHDSACASA-N 1 0 383.265 2.837 20 0 GFADRO C[N@@H+]1CCC[C@H](CCNC(=O)NCc2cc(Br)cc3c2OCC3)C1 ZINC000655806738 566089812 /nfs/dbraw/zinc/08/98/12/566089812.db2.gz YWIBRXHSCPWDPI-CYBMUJFWSA-N 1 0 396.329 2.915 20 0 GFADRO Cc1nn(-c2ccccc2Br)cc1C[NH2+]CC[C@@]1(O)CCCOC1 ZINC000655799483 566089942 /nfs/dbraw/zinc/08/99/42/566089942.db2.gz GOFIYMRWXZOPCC-SFHVURJKSA-N 1 0 394.313 2.964 20 0 GFADRO COC[C@@H]1CCCC[N@H+](Cc2cc(=O)n3cc(Br)ccc3n2)C1 ZINC000681038398 566091821 /nfs/dbraw/zinc/09/18/21/566091821.db2.gz DRMGZFKFYNZRDL-CYBMUJFWSA-N 1 0 380.286 2.706 20 0 GFADRO CC[C@H]([NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1)[C@H]1CCCCO1 ZINC000655855451 566092436 /nfs/dbraw/zinc/09/24/36/566092436.db2.gz DTRAPLPSPYIWSZ-UONOGXRCSA-N 1 0 391.331 2.534 20 0 GFADRO [NH3+]C[C@@H](NC(=O)NCC1(c2ccccc2Cl)CCOCC1)C(F)(F)F ZINC000655915619 566094944 /nfs/dbraw/zinc/09/49/44/566094944.db2.gz OPUVCBFCMYWJPP-CYBMUJFWSA-N 1 0 379.810 2.577 20 0 GFADRO C[C@@H](Cc1cc(Br)ccc1F)NC(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000655920529 566096901 /nfs/dbraw/zinc/09/69/01/566096901.db2.gz IARYIDCZAYGGHZ-WRWORJQWSA-N 1 0 386.187 2.708 20 0 GFADRO C[C@H](NC(=O)Cc1cccc(I)c1)C1CC[NH+](C)CC1 ZINC000610758598 566097203 /nfs/dbraw/zinc/09/72/03/566097203.db2.gz PCIXMARGANBMEX-LBPRGKRZSA-N 1 0 386.277 2.680 20 0 GFADRO CC[C@@H]1CN(S(=O)(=O)Cc2cccc(Br)c2C)CC[C@H]1[NH3+] ZINC000655949746 566097694 /nfs/dbraw/zinc/09/76/94/566097694.db2.gz ATKPORUVAKXNHB-IUODEOHRSA-N 1 0 375.332 2.647 20 0 GFADRO Cc1c(Br)cccc1CS(=O)(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000655950454 566098008 /nfs/dbraw/zinc/09/80/08/566098008.db2.gz HRZCXXUJFAZCPJ-RISCZKNCSA-N 1 0 375.332 2.504 20 0 GFADRO Cc1c(Br)cccc1CS(=O)(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000655953032 566099085 /nfs/dbraw/zinc/09/90/85/566099085.db2.gz UMUMDAIEQYBNJS-OKILXGFUSA-N 1 0 387.343 2.519 20 0 GFADRO CC[C@H]([NH2+]C[C@@H]1CCS(=O)(=O)C1)c1ccc(I)cc1 ZINC000610798343 566099756 /nfs/dbraw/zinc/09/97/56/566099756.db2.gz RFGCENNKZNGTST-FZMZJTMJSA-N 1 0 393.290 2.767 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)NCCCc1c(Cl)cccc1Cl ZINC000656029653 566101310 /nfs/dbraw/zinc/10/13/10/566101310.db2.gz CUEQJIDRIFTCHM-LRDDRELGSA-N 1 0 386.323 2.771 20 0 GFADRO [NH3+]C[C@H]1CCCC[C@H]1NC(=O)C(=O)NCCCc1c(Cl)cccc1Cl ZINC000656022273 566101520 /nfs/dbraw/zinc/10/15/20/566101520.db2.gz DUMXRZJJBKCIOF-MLGOLLRUSA-N 1 0 386.323 2.676 20 0 GFADRO CCN(C(=O)c1ccc2cncc(Br)c2n1)[C@@H]1CC[N@H+](CC)C1 ZINC000633616785 566111210 /nfs/dbraw/zinc/11/12/10/566111210.db2.gz CHNTZNHUKDCECV-CYBMUJFWSA-N 1 0 377.286 2.949 20 0 GFADRO CC[N@@H+]1CCN(c2ncnc3ccc(I)cc32)C[C@H]1C ZINC000611084709 566113236 /nfs/dbraw/zinc/11/32/36/566113236.db2.gz LTSXJURSGNKDNH-LLVKDONJSA-N 1 0 382.249 2.765 20 0 GFADRO C[NH+](C)CCn1cc(C(=O)N2CCc3ccc(F)c(Br)c3C2)cn1 ZINC000633672168 566113774 /nfs/dbraw/zinc/11/37/74/566113774.db2.gz LYJYOTXQRZWUNU-UHFFFAOYSA-N 1 0 395.276 2.545 20 0 GFADRO Cc1nn(-c2cccc(Br)c2)cc1C[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000656249531 566116384 /nfs/dbraw/zinc/11/63/84/566116384.db2.gz YOCXVVYKOPNZIZ-CYBMUJFWSA-N 1 0 377.286 2.641 20 0 GFADRO Cc1nn(-c2cccc(Br)c2)cc1C[N@@H+]1CC[C@@H](CC(N)=O)C1 ZINC000656259950 566118957 /nfs/dbraw/zinc/11/89/57/566118957.db2.gz GEVHQQMKFBAHJC-ZDUSSCGKSA-N 1 0 377.286 2.641 20 0 GFADRO Cc1nn(-c2cccc(Br)c2)cc1C[NH2+]CCN1CCCOCC1 ZINC000656261381 566120541 /nfs/dbraw/zinc/12/05/41/566120541.db2.gz IUDOLIGSPLTFJT-UHFFFAOYSA-N 1 0 393.329 2.755 20 0 GFADRO O=C(c1cc(Br)c2c(c1)OCCO2)N1CC[NH2+]C2(CCCCC2)C1 ZINC000656363764 566125087 /nfs/dbraw/zinc/12/50/87/566125087.db2.gz DJBPSVIPENCYBO-UHFFFAOYSA-N 1 0 395.297 2.969 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]1C1CCN(C(=O)NCCc2cccc(Br)c2)CC1 ZINC000633816166 566126378 /nfs/dbraw/zinc/12/63/78/566126378.db2.gz CKZTXEGIIFWAOV-SJORKVTESA-N 1 0 396.329 2.529 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)N1CC[N@H+](CCO)C(C)(C)C1 ZINC000682045046 566141979 /nfs/dbraw/zinc/14/19/79/566141979.db2.gz XBQVIIZXKMTLHU-UHFFFAOYSA-N 1 0 384.318 2.986 20 0 GFADRO O[C@H](COc1cc(F)cc(Br)c1)C[N@@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000682187390 566147218 /nfs/dbraw/zinc/14/72/18/566147218.db2.gz UEQBWDANOZAPHZ-WFASDCNBSA-N 1 0 398.276 2.931 20 0 GFADRO CN(CCCC[NH+](C)C)C(=O)C(=O)Nc1ccc(Br)c(Cl)c1 ZINC000682280092 566148854 /nfs/dbraw/zinc/14/88/54/566148854.db2.gz VGMIKMXTNPDRLM-UHFFFAOYSA-N 1 0 390.709 2.841 20 0 GFADRO COC1CC[NH+](CCNC(=O)Cc2c(Cl)cccc2Br)CC1 ZINC000612052590 566150040 /nfs/dbraw/zinc/15/00/40/566150040.db2.gz CLMLFAOMSZKWSR-UHFFFAOYSA-N 1 0 389.721 2.872 20 0 GFADRO CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)Nc2nc(-c3cccs3)cs2)C1 ZINC000682352938 566151191 /nfs/dbraw/zinc/15/11/91/566151191.db2.gz YOZBAWHQVMOXFU-GFCCVEGCSA-N 1 0 378.523 2.799 20 0 GFADRO C[C@@]([NH3+])(C(=O)Nc1nnc([C@H]2CCCO2)s1)c1ccc(Br)cc1 ZINC000634308063 566153056 /nfs/dbraw/zinc/15/30/56/566153056.db2.gz IJNZRSUUUBZLCO-ABAIWWIYSA-N 1 0 397.298 2.965 20 0 GFADRO COC[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(Br)cc1)C1CCOCC1 ZINC000656679458 566154284 /nfs/dbraw/zinc/15/42/84/566154284.db2.gz IXTMRIBHTJTJSX-BLLLJJGKSA-N 1 0 385.302 2.807 20 0 GFADRO O[C@H](C[NH2+]Cc1cnc(C(F)(F)F)nc1)COCc1ccccc1Cl ZINC000656704966 566155536 /nfs/dbraw/zinc/15/55/36/566155536.db2.gz MHUWXWRXOQQRCB-CYBMUJFWSA-N 1 0 375.778 2.816 20 0 GFADRO Cc1ccc(Cl)c(OC[C@H](O)C[NH2+]Cc2cnc(C(F)(F)F)nc2)c1 ZINC000656704995 566155634 /nfs/dbraw/zinc/15/56/34/566155634.db2.gz MOYHWFSCTPZZRM-GFCCVEGCSA-N 1 0 375.778 2.987 20 0 GFADRO C[NH+]1CCC(n2cc(N[C@@H](C(N)=O)c3ccc(Br)cc3)cn2)CC1 ZINC000634578301 566161036 /nfs/dbraw/zinc/16/10/36/566161036.db2.gz CYVHFKKUASGVGP-MRXNPFEDSA-N 1 0 392.301 2.551 20 0 GFADRO CCC(=O)N1CCC[N@H+](C[C@@H](O)COc2cc(Cl)cc(Cl)c2)CC1 ZINC000634642226 566161912 /nfs/dbraw/zinc/16/19/12/566161912.db2.gz GQAPUNDVOIXBQU-OAHLLOKOSA-N 1 0 375.296 2.677 20 0 GFADRO COc1cc(Br)ccc1[C@H](C)[NH2+]CC(=O)N1CCOC[C@@H]1C1CC1 ZINC000682540243 566161863 /nfs/dbraw/zinc/16/18/63/566161863.db2.gz LXEURCRQUAUIEE-BLLLJJGKSA-N 1 0 397.313 2.746 20 0 GFADRO O=C(C1CC1)N1CCC([NH2+]C[C@H](O)COc2cc(Cl)cc(Cl)c2)CC1 ZINC000634641340 566162334 /nfs/dbraw/zinc/16/23/34/566162334.db2.gz QYMNUQHSXSZLJI-INIZCTEOSA-N 1 0 387.307 2.724 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1CCNS(=O)(=O)Cc1cc(F)ccc1Br ZINC000656875733 566172829 /nfs/dbraw/zinc/17/28/29/566172829.db2.gz BPYBRILNJMDIFE-GFCCVEGCSA-N 1 0 393.322 2.882 20 0 GFADRO CN(Cc1nnc(-c2ccc(Br)o2)o1)[C@H]1CCCCN(C)C1=O ZINC000634737404 566173047 /nfs/dbraw/zinc/17/30/47/566173047.db2.gz QVUCCPRVBWNDLG-JTQLQIEISA-N 1 0 383.246 2.535 20 0 GFADRO CC[NH+]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC2CC2)CC1 ZINC000612745230 566173602 /nfs/dbraw/zinc/17/36/02/566173602.db2.gz LWIQHELAUICHOR-UHFFFAOYSA-N 1 0 379.306 2.588 20 0 GFADRO O[C@@H](C[NH2+]C[C@@H](n1cncn1)C(F)(F)F)COc1c(Cl)cccc1Cl ZINC000634725899 566173575 /nfs/dbraw/zinc/17/35/75/566173575.db2.gz HASMTPFDVSCEOT-JOYOIKCWSA-N 1 0 399.200 2.718 20 0 GFADRO C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)[C@H]1[C@@H]3c4cccc(Br)c4C[C@H]13)C2 ZINC000634740787 566174277 /nfs/dbraw/zinc/17/42/77/566174277.db2.gz INCODHKDVNDECJ-GGLGGFLESA-N 1 0 375.310 2.793 20 0 GFADRO CC[N@@H+]1CCC[C@H](CNS(=O)(=O)Cc2cc(F)ccc2Br)C1 ZINC000656890717 566176339 /nfs/dbraw/zinc/17/63/39/566176339.db2.gz QNTKTWPFRVWEAA-GFCCVEGCSA-N 1 0 393.322 2.740 20 0 GFADRO C[C@@H](NC(=O)N[C@@]1(C)CC[NH2+]C1)c1nc(-c2ccc(Br)cc2)no1 ZINC000612892969 566179000 /nfs/dbraw/zinc/17/90/00/566179000.db2.gz ZFJVYBJULLZLPL-HWPZZCPQSA-N 1 0 394.273 2.611 20 0 GFADRO COc1ccc([C@@H](C)NC(=O)N[C@H]2CC23CC[NH2+]CC3)cc1Br ZINC000612964777 566180083 /nfs/dbraw/zinc/18/00/83/566180083.db2.gz TWTRYGFPZASCBN-ABAIWWIYSA-N 1 0 382.302 2.960 20 0 GFADRO Ic1ccc(-c2nc([C@H]3C[N@@H+]4CCC[C@H]4CO3)no2)cc1 ZINC000612982231 566181275 /nfs/dbraw/zinc/18/12/75/566181275.db2.gz KJWQERDIXUVHJF-QWHCGFSZSA-N 1 0 397.216 2.877 20 0 GFADRO O=C1CC[C@@H]([NH2+]C2CCN(Cc3ccc(Br)cc3)CC2)CCN1 ZINC000634968971 566186155 /nfs/dbraw/zinc/18/61/55/566186155.db2.gz BFGSXIFRNCQMGU-MRXNPFEDSA-N 1 0 380.330 2.672 20 0 GFADRO O=S1(=O)CCC[C@@H]([NH2+][C@H]2CCN(c3ccccc3C(F)(F)F)C2)CC1 ZINC000634977288 566186856 /nfs/dbraw/zinc/18/68/56/566186856.db2.gz VZBOXDKFZWDPED-KGLIPLIRSA-N 1 0 376.444 2.841 20 0 GFADRO CC[N@H+](C)C[C@@H]1CCN(c2nc(N)c3cc(OC)cc(Br)c3n2)C1 ZINC000683185499 566187963 /nfs/dbraw/zinc/18/79/63/566187963.db2.gz RRKXUYFULGPHFS-NSHDSACASA-N 1 0 394.317 2.761 20 0 GFADRO O=C1CC[C@@H]([NH2+]C2CCN(Cc3cccc(Br)c3)CC2)CCN1 ZINC000634984379 566188723 /nfs/dbraw/zinc/18/87/23/566188723.db2.gz QJQBZPBAWFRWBU-MRXNPFEDSA-N 1 0 380.330 2.672 20 0 GFADRO COCCOCC[N@H+](C)CCC(=O)N[C@H]1CCSc2ccc(Cl)cc21 ZINC000635158548 566195958 /nfs/dbraw/zinc/19/59/58/566195958.db2.gz RIPYTIJSHADDFS-INIZCTEOSA-N 1 0 386.945 2.978 20 0 GFADRO O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1cscc1Cl ZINC000635147920 566196377 /nfs/dbraw/zinc/19/63/77/566196377.db2.gz JPQQAHLOBDCZED-CQSZACIVSA-N 1 0 377.897 2.978 20 0 GFADRO C[N@@H+]1CC[C@H](CC(=O)N2CCN(C(=O)c3cc(Cl)cc(Cl)c3)CC2)C1 ZINC000635214425 566199071 /nfs/dbraw/zinc/19/90/71/566199071.db2.gz HNEYPHGDQXCPSH-CYBMUJFWSA-N 1 0 384.307 2.620 20 0 GFADRO Cc1ccc(C[NH2+][C@H](C)c2ccc(S(C)(=O)=O)cc2)cc1S(C)(=O)=O ZINC000683447635 566200879 /nfs/dbraw/zinc/20/08/79/566200879.db2.gz IZJLXEOPZAEBAI-CQSZACIVSA-N 1 0 381.519 2.653 20 0 GFADRO O=C(CN1C[C@H]2C[NH2+]C[C@@H]2C1)Nc1ccc(Br)c(C(F)(F)F)c1 ZINC000613552517 566201960 /nfs/dbraw/zinc/20/19/60/566201960.db2.gz HVIBCQUNSINXRY-NXEZZACHSA-N 1 0 392.219 2.558 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@H](CNS(=O)(=O)c2cc(F)ccc2OC(F)F)C1 ZINC000657033234 566208659 /nfs/dbraw/zinc/20/86/59/566208659.db2.gz JNOJUVMXQXOWLP-LLVKDONJSA-N 1 0 380.432 2.826 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@@H](CNS(=O)(=O)c2ccccc2Br)C1 ZINC000657034419 566210531 /nfs/dbraw/zinc/21/05/31/566210531.db2.gz PUVQQQHIYOSIHV-LBPRGKRZSA-N 1 0 375.332 2.848 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@H]1CNS(=O)(=O)Cc1cc(F)ccc1Br ZINC000657035438 566210887 /nfs/dbraw/zinc/21/08/87/566210887.db2.gz TYSKYKYZPMSUTJ-ZDUSSCGKSA-N 1 0 393.322 2.880 20 0 GFADRO O=C1CSc2ncnc(NCC3([NH+]4CCSCC4)CCCCC3)c2N1 ZINC000683749708 566212288 /nfs/dbraw/zinc/21/22/88/566212288.db2.gz TWSLPRFEJUWQNA-UHFFFAOYSA-N 1 0 379.555 2.684 20 0 GFADRO CS(=O)(=O)N1CCC([NH2+][C@H]2CSc3ccc(Br)cc32)CC1 ZINC000683824239 566215779 /nfs/dbraw/zinc/21/57/79/566215779.db2.gz HJYDOVHOUIZJHL-ZDUSSCGKSA-N 1 0 391.356 2.610 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@H](NS(=O)(=O)c2cc(Br)ccc2F)C1 ZINC000657063182 566216251 /nfs/dbraw/zinc/21/62/51/566216251.db2.gz VIEWVJNNMLYFCY-NSHDSACASA-N 1 0 379.295 2.739 20 0 GFADRO C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)N1CCC[C@](O)(C[NH+](C)C)C1 ZINC000683914242 566218622 /nfs/dbraw/zinc/21/86/22/566218622.db2.gz UKPUGTSBOFONOI-PXAZEXFGSA-N 1 0 375.296 2.676 20 0 GFADRO Cc1cc(C)c(S(=O)(=O)NCC2CC[NH+](Cc3ccncc3)CC2)s1 ZINC000657108194 566223965 /nfs/dbraw/zinc/22/39/65/566223965.db2.gz TUGRGWXPGFHNAF-UHFFFAOYSA-N 1 0 379.551 2.950 20 0 GFADRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N1CCOc2c(Br)cccc2C1 ZINC000684274441 566232134 /nfs/dbraw/zinc/23/21/34/566232134.db2.gz VGLSNINKZBYHAA-BLLLJJGKSA-N 1 0 394.313 2.836 20 0 GFADRO C[NH+](C)C[C@@H]1CCN(C(=O)c2ccccc2-c2ccccc2-c2nn[nH]n2)C1 ZINC000736762458 598841218 /nfs/dbraw/zinc/84/12/18/598841218.db2.gz IAFDNUZJOORPRI-HNNXBMFYSA-N 1 0 376.464 2.557 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000736267849 598867939 /nfs/dbraw/zinc/86/79/39/598867939.db2.gz PPRLFWNBIIZHMC-SJLPKXTDSA-N 1 0 382.512 2.522 20 0 GFADRO Cc1ccc(NC(=O)[C@H](C)Oc2ccc(-c3nn[nH]n3)cc2)c(C[NH+](C)C)c1 ZINC000737357012 598868720 /nfs/dbraw/zinc/86/87/20/598868720.db2.gz UYRDYPNEXLKCOC-AWEZNQCLSA-N 1 0 380.452 2.643 20 0 GFADRO C[C@H]([NH2+][C@H]1CCN(c2ccc(Cl)cc2)C1=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000736129719 598879434 /nfs/dbraw/zinc/87/94/34/598879434.db2.gz FJORCOLSVHOQOO-SJCJKPOMSA-N 1 0 382.855 2.976 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)NCc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000736268403 598879617 /nfs/dbraw/zinc/87/96/17/598879617.db2.gz TXUPVKACRYERGX-SJLPKXTDSA-N 1 0 397.527 2.663 20 0 GFADRO NC(=O)[C@@H]([NH2+]CC1(c2cccs2)CCCCC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000737732110 598886930 /nfs/dbraw/zinc/88/69/30/598886930.db2.gz WAEGHZCCVOARBR-KRWDZBQOSA-N 1 0 396.520 2.946 20 0 GFADRO CC(C)[N@H+](C)CCNC(=O)NCc1cccc(-c2ccc(-c3nn[nH]n3)s2)c1 ZINC000735857212 598889999 /nfs/dbraw/zinc/88/99/99/598889999.db2.gz ORTLKNRABXPDPD-UHFFFAOYSA-N 1 0 399.524 2.735 20 0 GFADRO CC[C@H]([NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1ccc(Cl)s1 ZINC000736368845 598919936 /nfs/dbraw/zinc/91/99/36/598919936.db2.gz FQBSBUZEANYTHK-KOLCDFICSA-N 1 0 378.893 2.561 20 0 GFADRO CC[NH+](CC)CCCNC(=O)c1ccc(Oc2ccc(-c3nn[nH]n3)cn2)cc1 ZINC000736529935 598931272 /nfs/dbraw/zinc/93/12/72/598931272.db2.gz BUQPLBQXNSSJDE-UHFFFAOYSA-N 1 0 395.467 2.516 20 0 GFADRO C[NH+](C)C(C)(C)CNC(=O)c1cccc(COc2ccccc2-c2nn[nH]n2)c1 ZINC000736758801 598931378 /nfs/dbraw/zinc/93/13/78/598931378.db2.gz IMPNCJUVUAOAPA-UHFFFAOYSA-N 1 0 394.479 2.516 20 0 GFADRO C[C@@H]([NH2+][C@@H]1CCN(c2ccc(-c3nn[nH]n3)cc2)C1=O)c1ccc(Cl)cc1 ZINC000736129274 598959168 /nfs/dbraw/zinc/95/91/68/598959168.db2.gz COQKUQVJVGJIRE-SJKOYZFVSA-N 1 0 382.855 2.976 20 0 GFADRO O=C(NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)Nc1ccc(F)c(-c2nn[nH]n2)c1 ZINC000738051048 598967035 /nfs/dbraw/zinc/96/70/35/598967035.db2.gz XWCGHXWROPFSJS-INIZCTEOSA-N 1 0 395.442 2.792 20 0 GFADRO CCn1cncc1[C@H]1CCCC[N@@H+]1CCOc1ccc(-c2nn[nH]n2)cc1OC ZINC000736723705 598983846 /nfs/dbraw/zinc/98/38/46/598983846.db2.gz ZJGFMUZGMGDGOQ-MRXNPFEDSA-N 1 0 397.483 2.698 20 0 GFADRO COc1cc(-c2nn[nH]n2)ccc1OCC[N@@H+]1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000737032539 598987742 /nfs/dbraw/zinc/98/77/42/598987742.db2.gz LUWUTEQURRHBQX-MRXNPFEDSA-N 1 0 397.454 2.958 20 0 GFADRO CC(C)OCCC[N@H+](C)[C@H](C)C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000735896500 598988604 /nfs/dbraw/zinc/98/86/04/598988604.db2.gz RJKAAOWLAMQQJJ-GFCCVEGCSA-N 1 0 380.880 2.594 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)c2ccc(-c3nn[nH]n3)nc2)cc1 ZINC000736266453 598994142 /nfs/dbraw/zinc/99/41/42/598994142.db2.gz HUOFXWHQFJNVIN-CQSZACIVSA-N 1 0 377.452 2.888 20 0 GFADRO O=C(NCc1ccc(C[NH+]2CCCCCC2)cc1)c1ccc(-c2nn[nH]n2)nc1 ZINC000738103515 599026976 /nfs/dbraw/zinc/02/69/76/599026976.db2.gz KQZNQLNHCFIGLW-UHFFFAOYSA-N 1 0 391.479 2.568 20 0 GFADRO OCC[C@H]([NH2+]Cc1cccc(OCc2ccccc2-c2nn[nH]n2)c1)C1CC1 ZINC000738393461 599053982 /nfs/dbraw/zinc/05/39/82/599053982.db2.gz MKNGWQNYBHAGGA-FQEVSTJZSA-N 1 0 379.464 2.696 20 0 GFADRO C[N@H+](CCc1cccc2ccccc21)[C@@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000736804753 599073281 /nfs/dbraw/zinc/07/32/81/599073281.db2.gz UDRIFMSUQMMSSF-HXUWFJFHSA-N 1 0 386.459 2.721 20 0 GFADRO O=C(CC[N@@H+]1CCSC[C@@H]1c1ccccc1)Nc1ccccc1-c1nn[nH]n1 ZINC000737845863 599081310 /nfs/dbraw/zinc/08/13/10/599081310.db2.gz AJLAOAAVHQBQTN-GOSISDBHSA-N 1 0 394.504 2.985 20 0 GFADRO Cc1cccc(C2(C[NH2+][C@@H](C(N)=O)c3ccc(-c4nn[nH]n4)cc3)CCCC2)c1 ZINC000737391119 599098298 /nfs/dbraw/zinc/09/82/98/599098298.db2.gz YHZQEHOSYZMLBW-LJQANCHMSA-N 1 0 390.491 2.803 20 0 GFADRO Cc1cccc2c1ncc(-c1nn[nH]n1)c2N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000737410980 599122704 /nfs/dbraw/zinc/12/27/04/599122704.db2.gz WPQPWGDLJSQTIM-QGZVFWFLSA-N 1 0 385.475 2.832 20 0 GFADRO O=C(CC[N@@H+]1CC[C@@H](Cc2ccccc2)C1)Nc1sccc1-c1nn[nH]n1 ZINC000737838934 599136945 /nfs/dbraw/zinc/13/69/45/599136945.db2.gz PDGIUXGOBNXKCX-HNNXBMFYSA-N 1 0 382.493 2.821 20 0 GFADRO Cc1cc(F)cc(C(=O)N(CC[NH+](C)C)Cc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000822203154 599141739 /nfs/dbraw/zinc/14/17/39/599141739.db2.gz HAZHLIIXJCYGHC-UHFFFAOYSA-N 1 0 382.443 2.518 20 0 GFADRO C[C@@H]1C[N@H+](CC(=O)Nc2ccc(-c3nn[nH]n3)cc2)CC[C@H]1c1ccccc1 ZINC000736289255 599147269 /nfs/dbraw/zinc/14/72/69/599147269.db2.gz VCYSCWPHNDVFDK-DNVCBOLYSA-N 1 0 376.464 2.931 20 0 GFADRO CC[N@H+](CCOC)Cc1ccc(OCc2cccc(-c3nn[nH]n3)c2)c(OC)c1 ZINC000736537145 599208432 /nfs/dbraw/zinc/20/84/32/599208432.db2.gz RMPBHUIFZVHVKM-UHFFFAOYSA-N 1 0 397.479 2.923 20 0 GFADRO Cc1cc(F)ccc1N1CCC[C@H]([N@H+](C)Cc2cccc(-c3nn[nH]n3)c2)C1=O ZINC000737271496 599234569 /nfs/dbraw/zinc/23/45/69/599234569.db2.gz WEYAOUTVDQYRBV-IBGZPJMESA-N 1 0 394.454 2.942 20 0 GFADRO CC(C)Oc1ccc(-c2nn[nH]n2)cc1NC(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000820152482 599262219 /nfs/dbraw/zinc/26/22/19/599262219.db2.gz ZINUJLTXFCBWRF-ZFWWWQNUSA-N 1 0 387.488 2.600 20 0 GFADRO c1csc(C[NH+]2CCN(c3c(-c4nn[nH]n4)cnc4ccccc43)CC2)c1 ZINC000738452204 599261109 /nfs/dbraw/zinc/26/11/09/599261109.db2.gz LSFZDAQOQWPZKX-UHFFFAOYSA-N 1 0 377.477 2.799 20 0 GFADRO O[C@@H](C[NH2+]C1(c2ccc(Cl)cc2)CCC1)COc1ccc(-c2nn[nH]n2)cc1 ZINC000738382002 598248240 /nfs/dbraw/zinc/24/82/40/598248240.db2.gz ORUJTIFYYONDBM-KRWDZBQOSA-N 1 0 399.882 2.929 20 0 GFADRO C[C@@](O)(C[NH+]1CCC(Oc2cccc(-c3nn[nH]n3)c2)CC1)c1ccccc1 ZINC000736136835 598250438 /nfs/dbraw/zinc/25/04/38/598250438.db2.gz IUGFBPCRSSFWGD-OAQYLSRUSA-N 1 0 379.464 2.618 20 0 GFADRO CC(C)Oc1ccc(-c2nn[nH]n2)cc1NC(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000735905178 598262972 /nfs/dbraw/zinc/26/29/72/598262972.db2.gz GHVJNEMHZLGZRD-MRXNPFEDSA-N 1 0 399.499 2.746 20 0 GFADRO CC(C)Oc1ccc(-c2nn[nH]n2)cc1NC(=O)NCC[N@H+](C)C1CCCC1 ZINC000735904782 598271665 /nfs/dbraw/zinc/27/16/65/598271665.db2.gz BICUMTLBMULLJK-UHFFFAOYSA-N 1 0 387.488 2.650 20 0 GFADRO CC(C)N(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000735874550 598271845 /nfs/dbraw/zinc/27/18/45/598271845.db2.gz JWFBQVYCOKYNCK-UHFFFAOYSA-N 1 0 385.516 2.661 20 0 GFADRO CC1CC[NH+](CCCNC(=O)Nc2cc(-c3nn[nH]n3)cn2C(C)(C)C)CC1 ZINC000736276267 598276511 /nfs/dbraw/zinc/27/65/11/598276511.db2.gz NNTZJHLPHRKYNL-UHFFFAOYSA-N 1 0 388.520 2.667 20 0 GFADRO C[C@@H](CNC(=O)Nc1cc(-c2nn[nH]n2)cn1C(C)(C)C)[N@@H+]1CCC[C@@H](C)C1 ZINC000736267901 598278324 /nfs/dbraw/zinc/27/83/24/598278324.db2.gz UWACJHYLTLTNNY-KGLIPLIRSA-N 1 0 388.520 2.665 20 0 GFADRO Clc1cc(-c2nn[nH]n2)cnc1NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000737558947 598390224 /nfs/dbraw/zinc/39/02/24/598390224.db2.gz SQAQMNVWZAWHSX-UHFFFAOYSA-N 1 0 398.902 2.539 20 0 GFADRO CCC[N@H+](C)CC(=O)Nc1ccc(Oc2ccc(-c3nn[nH]n3)cc2OC)cc1 ZINC000736469714 598408616 /nfs/dbraw/zinc/40/86/16/598408616.db2.gz BZYYDEBOSLEEJS-UHFFFAOYSA-N 1 0 396.451 2.948 20 0 GFADRO CC[C@H](C)[N@H+](C)CCNC(=O)N(Cc1ccc(-c2nn[nH]n2)cc1)CC(C)C ZINC000736322941 598430790 /nfs/dbraw/zinc/43/07/90/598430790.db2.gz RQPYRRHYIUFODP-INIZCTEOSA-N 1 0 387.532 2.765 20 0 GFADRO CCN(C(=O)c1ccc(-c2nn[nH]n2)cn1)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000736505489 598460151 /nfs/dbraw/zinc/46/01/51/598460151.db2.gz KBSCUZXPVMYDBH-YJBOKZPZSA-N 1 0 391.479 2.559 20 0 GFADRO c1ccc(-c2nn[nH]n2)c(OCC[N@@H+]2CCC[C@H]2c2cccc3c2OCCO3)c1 ZINC000738427578 598463260 /nfs/dbraw/zinc/46/32/60/598463260.db2.gz XOJPSHBBWHULBH-KRWDZBQOSA-N 1 0 393.447 2.854 20 0 GFADRO FC(F)(F)c1ccc(NCCC[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)nc1 ZINC000737637072 598465801 /nfs/dbraw/zinc/46/58/01/598465801.db2.gz YXAVWLHPDONTOS-UHFFFAOYSA-N 1 0 377.374 2.872 20 0 GFADRO CCOc1ccc(-c2nn[nH]n2)cc1NC(=O)NCC[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000736633639 598483668 /nfs/dbraw/zinc/48/36/68/598483668.db2.gz CYSONIIDPPISJY-KBPBESRZSA-N 1 0 387.488 2.650 20 0 GFADRO Cc1cc(N[C@H]2CC[N@H+](CC3CC3)C2)n2c3ccccc3nc2c1-c1nn[nH]n1 ZINC000737274027 598503862 /nfs/dbraw/zinc/50/38/62/598503862.db2.gz KELRKKYBWLTLJW-HNNXBMFYSA-N 1 0 388.479 2.872 20 0 GFADRO CC[N@H+](C[C@H](O)CN(C)Cc1ccccc1)[C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000736524336 598532396 /nfs/dbraw/zinc/53/23/96/598532396.db2.gz UXVNTSUJFWEPDL-LAUBAEHRSA-N 1 0 394.523 2.743 20 0 GFADRO OC1CCC([NH2+]Cc2cccc(OCc3ccccc3-c3nn[nH]n3)c2)CC1 ZINC000738389338 598561018 /nfs/dbraw/zinc/56/10/18/598561018.db2.gz KUFOMNNUFGPURX-UHFFFAOYSA-N 1 0 379.464 2.839 20 0 GFADRO C[NH+](C)Cc1ccc(NC(=O)[C@@H]2CCCN2c2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000736771493 598580520 /nfs/dbraw/zinc/58/05/20/598580520.db2.gz NRCVPFBIHSIBNQ-IBGZPJMESA-N 1 0 391.479 2.536 20 0 GFADRO O=C(Nc1ccc(F)c(-c2nn[nH]n2)c1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000738161624 598584040 /nfs/dbraw/zinc/58/40/40/598584040.db2.gz HASKQCNTJRKEEC-HNNXBMFYSA-N 1 0 380.427 2.857 20 0 GFADRO C[C@@H]([NH2+][C@@H](C)C(=O)N(C)Cc1cccc(F)c1)c1ccc(-c2nn[nH]n2)cc1 ZINC000736132969 598596385 /nfs/dbraw/zinc/59/63/85/598596385.db2.gz QTRBVHPYLHQNDM-KGLIPLIRSA-N 1 0 382.443 2.704 20 0 GFADRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)Nc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC000736205675 598625982 /nfs/dbraw/zinc/62/59/82/598625982.db2.gz XNZNPUIFZQNHRC-CJNGLKHVSA-N 1 0 395.442 2.963 20 0 GFADRO C[C@H]1CCC[N@H+](CCCCNC(=O)Nc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC000736264043 598630899 /nfs/dbraw/zinc/63/08/99/598630899.db2.gz BEYVZSBFUNTQMQ-ZDUSSCGKSA-N 1 0 375.452 2.639 20 0 GFADRO CN(C(=S)Nc1ccccc1-c1nn[nH]n1)c1ccc(OCC[NH+](C)C)cc1 ZINC000736769343 598643522 /nfs/dbraw/zinc/64/35/22/598643522.db2.gz PCVYMCLLRVNLES-UHFFFAOYSA-N 1 0 397.508 2.640 20 0 GFADRO C[N@H+](CCCNC(=O)CSc1ccc(-c2nn[nH]n2)cc1)Cc1ccccc1 ZINC000736801050 598650025 /nfs/dbraw/zinc/65/00/25/598650025.db2.gz PFASCLAOWWYMCW-UHFFFAOYSA-N 1 0 396.520 2.597 20 0 GFADRO CC[NH+](CC)[C@H](C)CNC(=O)c1ccc(Oc2ccc(-c3nn[nH]n3)cn2)cc1 ZINC000736533720 598718019 /nfs/dbraw/zinc/71/80/19/598718019.db2.gz JOFARCBDTFLPTD-CQSZACIVSA-N 1 0 395.467 2.514 20 0 GFADRO Cc1ccc(C)n1C1CC[NH+](CCC(=O)Nc2ccccc2-c2nn[nH]n2)CC1 ZINC000737329307 598760556 /nfs/dbraw/zinc/76/05/56/598760556.db2.gz IUVZJDNJVZOPHE-UHFFFAOYSA-N 1 0 393.495 2.951 20 0 GFADRO Fc1ccc(OCC[NH+]2CCC(Oc3ccc(-c4nn[nH]n4)cc3)CC2)cc1 ZINC000737656577 598767151 /nfs/dbraw/zinc/76/71/51/598767151.db2.gz OTFYPPDRLNYGBE-UHFFFAOYSA-N 1 0 383.427 2.928 20 0 GFADRO CN(CC1CC[NH+](Cc2ccccc2-c2nn[nH]n2)CC1)C(=O)OC(C)(C)C ZINC000736793778 598768434 /nfs/dbraw/zinc/76/84/34/598768434.db2.gz ZJKFZERHKLDFDA-UHFFFAOYSA-N 1 0 386.500 2.946 20 0 GFADRO COc1ccccc1C[NH+]1CCN(c2ccc(Cl)cc2-c2nn[nH]n2)CC1 ZINC000737150091 598796010 /nfs/dbraw/zinc/79/60/10/598796010.db2.gz MKADLKSWDAQISO-UHFFFAOYSA-N 1 0 384.871 2.851 20 0 GFADRO C[C@H](NC(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1)c1cccc(-c2nn[nH]n2)c1 ZINC000820358392 599299402 /nfs/dbraw/zinc/29/94/02/599299402.db2.gz NEUUPJRAZMMIQG-YOEHRIQHSA-N 1 0 395.467 2.657 20 0 GFADRO C[C@H](c1ccc(-c2nn[nH]n2)cc1)[NH+]1CCC(C(=O)Nc2ccccc2O)CC1 ZINC000736198052 599307153 /nfs/dbraw/zinc/30/71/53/599307153.db2.gz QANRSMGTYREEEX-CQSZACIVSA-N 1 0 392.463 2.984 20 0 GFADRO C[C@@H](c1ccc(-c2nn[nH]n2)cc1)[NH+]1CCC(NC(=O)c2ccccc2)CC1 ZINC000736197278 599307540 /nfs/dbraw/zinc/30/75/40/599307540.db2.gz MPXKZZCLZNOWSG-HNNXBMFYSA-N 1 0 376.464 2.822 20 0 GFADRO Cc1occc1C(=O)NC1CC[NH+]([C@H](C)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000737555833 599315430 /nfs/dbraw/zinc/31/54/30/599315430.db2.gz ABMFLMFVLFPPPV-CYBMUJFWSA-N 1 0 380.452 2.724 20 0 GFADRO CCOc1cccc(N2CC[NH+]([C@@H](C)c3ccc(-c4nn[nH]n4)cc3)CC2)n1 ZINC000736654320 599320025 /nfs/dbraw/zinc/32/00/25/599320025.db2.gz KCGZQGXBMMZKND-HNNXBMFYSA-N 1 0 379.468 2.544 20 0 GFADRO C[C@@H](c1ccc(-c2nn[nH]n2)cc1)[NH+]1CCN(Cc2ccc(Cl)nc2)CC1 ZINC000736195993 599320672 /nfs/dbraw/zinc/32/06/72/599320672.db2.gz ILSQBNPYGHCCAN-AWEZNQCLSA-N 1 0 383.887 2.794 20 0 GFADRO C[C@H]([NH2+]Cc1ccc(CN2CCOCC2)cc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000820433318 599363323 /nfs/dbraw/zinc/36/33/23/599363323.db2.gz XPRAHGOIXMIMHS-INIZCTEOSA-N 1 0 378.480 2.550 20 0 GFADRO COc1ccc(CN[C@@H](C[NH+]2CCCC2)c2ccccc2)cc1-c1nn[nH]n1 ZINC000821804615 599398656 /nfs/dbraw/zinc/39/86/56/599398656.db2.gz OMGOJNGZINGRTF-IBGZPJMESA-N 1 0 378.480 2.802 20 0 GFADRO COc1ccc(C[NH2+][C@@H]2CCCN(Cc3ccccc3)C2)cc1-c1nn[nH]n1 ZINC000821804044 599404363 /nfs/dbraw/zinc/40/43/63/599404363.db2.gz IZRNIIQVMCBCNI-GOSISDBHSA-N 1 0 378.480 2.630 20 0 GFADRO C[C@@H](NC(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1)c1cccc(-c2nn[nH]n2)c1 ZINC000820709742 599422541 /nfs/dbraw/zinc/42/25/41/599422541.db2.gz LMQFINPMQRAWQD-LSDHHAIUSA-N 1 0 385.516 2.737 20 0 GFADRO C[C@H](NC(=O)NC[C@@H](C1CCCCC1)[NH+](C)C)c1cccc(-c2nn[nH]n2)c1 ZINC000820359635 599442389 /nfs/dbraw/zinc/44/23/89/599442389.db2.gz UGZCFGWUSIUGPX-KSSFIOAISA-N 1 0 385.516 2.737 20 0 GFADRO CN(C(=O)c1ccncc1)c1ccc(C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)cc1 ZINC000736741869 599452477 /nfs/dbraw/zinc/45/24/77/599452477.db2.gz VFNGAVAETWKXHS-UHFFFAOYSA-N 1 0 399.458 2.828 20 0 GFADRO O[C@H]1CCC[C@@H]1C[NH2+]Cc1cccc(OCc2cccc(-c3nn[nH]n3)c2)c1 ZINC000823697159 599458984 /nfs/dbraw/zinc/45/89/84/599458984.db2.gz JYGAFJJMSXUQGZ-QUCCMNQESA-N 1 0 379.464 2.696 20 0 GFADRO Fc1ccc(NCCC[NH+]2CCN(Cc3ccccc3)CC2)c(-c2nn[nH]n2)c1 ZINC000822778195 599472411 /nfs/dbraw/zinc/47/24/11/599472411.db2.gz FOELPZHNYCXTOW-UHFFFAOYSA-N 1 0 395.486 2.626 20 0 GFADRO C[C@@H](C(=O)Nc1ccccc1-c1nn[nH]n1)[N@@H+]1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000735564443 599477387 /nfs/dbraw/zinc/47/73/87/599477387.db2.gz WTBKWRKNWWBEPQ-GOEBONIOSA-N 1 0 394.454 2.897 20 0 GFADRO C[C@@H](CNc1c(-c2nn[nH]n2)cnc2c(F)ccc(F)c21)[N@@H+]1CCC[C@@H](C)C1 ZINC000820711215 599477596 /nfs/dbraw/zinc/47/75/96/599477596.db2.gz VKJUUPPJEPDSGZ-NEPJUHHUSA-N 1 0 387.438 2.647 20 0 GFADRO c1nc2ccc(-c3nn[nH]n3)cn2c1C[NH2+]CC1(Sc2ccccc2)CC1 ZINC000738433707 599491368 /nfs/dbraw/zinc/49/13/68/599491368.db2.gz SQIMXHQWSURCBA-UHFFFAOYSA-N 1 0 377.477 2.929 20 0 GFADRO CC(C)CN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000735830790 599491606 /nfs/dbraw/zinc/49/16/06/599491606.db2.gz JDGJAJFKSYMSIK-IBGZPJMESA-N 1 0 397.527 2.519 20 0 GFADRO OC1CC[NH+](Cc2ccc(CNc3ccc(F)cc3-c3nn[nH]n3)cc2)CC1 ZINC000823705934 599529820 /nfs/dbraw/zinc/52/98/20/599529820.db2.gz JEPJHRSWNCEEPB-UHFFFAOYSA-N 1 0 382.443 2.575 20 0 GFADRO C[NH+](C)CC1CCN(c2ccc(Nc3ccc(-c4nn[nH]n4)cn3)cc2)CC1 ZINC000736759444 599530107 /nfs/dbraw/zinc/53/01/07/599530107.db2.gz RGKHHCSDKYWPMF-UHFFFAOYSA-N 1 0 378.484 2.783 20 0 GFADRO Cc1ccc(NC(=O)C=Cc2ccccc2-c2nn[nH]n2)c(OCC[NH+](C)C)c1 ZINC000737357406 599558628 /nfs/dbraw/zinc/55/86/28/599558628.db2.gz YQKPDCDISBNPOS-PKNBQFBNSA-N 1 0 392.463 2.767 20 0 GFADRO CCC[NH+]1CCN(C(=O)c2cccc(Nc3ccc(-c4nn[nH]n4)cc3)c2)CC1 ZINC000736482355 599567112 /nfs/dbraw/zinc/56/71/12/599567112.db2.gz WLPPBOFXDZUPPA-UHFFFAOYSA-N 1 0 391.479 2.778 20 0 GFADRO C[C@H](C[NH+]1CCN(c2ccccc2)CC1)Nc1ccc(-c2nn[nH]n2)cc1F ZINC000820259586 599576247 /nfs/dbraw/zinc/57/62/47/599576247.db2.gz AEKYICICEAVQBX-OAHLLOKOSA-N 1 0 381.459 2.628 20 0 GFADRO C[N@@H+]1CCCN(Cc2cccc(OCc3ccccc3-c3nn[nH]n3)c2)CC1 ZINC000821625384 607384943 /nfs/dbraw/zinc/38/49/43/607384943.db2.gz MHYOJHFONZGEKH-UHFFFAOYSA-N 1 0 378.480 2.583 20 0 GFADRO O=C(c1ccc(F)cc1)[C@H]1CCC[N@H+](CCOc2cccc(-c3nn[nH]n3)c2)C1 ZINC000738268891 599593340 /nfs/dbraw/zinc/59/33/40/599593340.db2.gz VHERAOPQZVTJBE-KRWDZBQOSA-N 1 0 395.438 2.980 20 0 GFADRO COc1cc(C[N@H+](C)CC[C@H](C)O)ccc1OCc1cccc(-c2nn[nH]n2)c1 ZINC000821713329 599640455 /nfs/dbraw/zinc/64/04/55/599640455.db2.gz VCEISQTYIQXGSB-HNNXBMFYSA-N 1 0 397.479 2.657 20 0 GFADRO CCC[N@H+](CC)CC(=O)Nc1c(-c2nn[nH]n2)c(C)c(C)n1-c1ccccc1 ZINC000821094554 599690774 /nfs/dbraw/zinc/69/07/74/599690774.db2.gz LZDUZPVRRAJGEI-UHFFFAOYSA-N 1 0 381.484 2.945 20 0 GFADRO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)Nc1ccc(Oc2cccc(-c3nn[nH]n3)c2)nc1 ZINC000820683923 599697156 /nfs/dbraw/zinc/69/71/56/599697156.db2.gz JNNDKVJYRJSLEA-OKILXGFUSA-N 1 0 393.451 2.865 20 0 GFADRO CC(C)Oc1ccc(NC(=O)NC[C@H](C)C[NH+]2CCCC2)cc1-c1nn[nH]n1 ZINC000820268759 607429828 /nfs/dbraw/zinc/42/98/28/607429828.db2.gz DXOBJRKALSMJSP-AWEZNQCLSA-N 1 0 387.488 2.507 20 0 GFADRO C[C@@H]1CCC[N@H+](CCCCNC(=O)NC2(c3cccc(-c4nn[nH]n4)c3)CC2)C1 ZINC000824947656 607449708 /nfs/dbraw/zinc/44/97/08/607449708.db2.gz PRDBHQCYJMPHOJ-MRXNPFEDSA-N 1 0 397.527 2.667 20 0 GFADRO COC(=O)[C@@H]1CC12CC[NH+](CCCCC[NH+]1CCC3(C[C@@H]3C(=O)[O-])CC1)CC2 ZINC000737580942 600714254 /nfs/dbraw/zinc/71/42/54/600714254.db2.gz YSMAQIDFHWIYRL-MSOLQXFVSA-N 1 0 392.540 2.619 20 0 GFADRO Cc1oc(NC(=O)C[NH2+][C@]2(C)CCCc3ccccc32)c(-c2nn[nH]n2)c1C ZINC000826342049 607465206 /nfs/dbraw/zinc/46/52/06/607465206.db2.gz WNXPDJMOHQQJGI-HXUWFJFHSA-N 1 0 380.452 2.856 20 0 GFADRO O[C@H](C[C@H]1CCC[N@@H+]1CCOc1ccc(-c2nn[nH]n2)cc1)c1ccc(F)cc1 ZINC000826502697 607476224 /nfs/dbraw/zinc/47/62/24/607476224.db2.gz IYTXCSCCYCWDAE-UYAOXDASSA-N 1 0 397.454 2.973 20 0 GFADRO CN(C)[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)c1c(F)cccc1F ZINC000821579838 607482052 /nfs/dbraw/zinc/48/20/52/607482052.db2.gz PVADHHVVTKLLJW-INIZCTEOSA-N 1 0 376.386 2.677 20 0 GFADRO Fc1ccc(N2CC[C@H](C[NH2+]Cc3ccc(-c4nn[nH]n4)cc3F)C2)cc1F ZINC000822778434 607478610 /nfs/dbraw/zinc/47/86/10/607478610.db2.gz IAGOBNJIVFJFRM-GFCCVEGCSA-N 1 0 388.397 2.900 20 0 GFADRO CC[C@H]1Oc2cc([C@@H](C)[NH2+]Cc3ccc(-c4nn[nH]n4)cc3F)ccc2NC1=O ZINC000821000320 607485487 /nfs/dbraw/zinc/48/54/87/607485487.db2.gz CUZSIFYNZCVUBG-PIGZYNQJSA-N 1 0 396.426 2.966 20 0 GFADRO C[C@H](NC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)c1cccc(-c2nn[nH]n2)c1 ZINC000820348675 607497699 /nfs/dbraw/zinc/49/76/99/607497699.db2.gz FQBVDLJXIIHWSI-FNHZYXHNSA-N 1 0 395.511 2.586 20 0 GFADRO O[C@@H](c1ccc(Cl)cc1)C1CC[NH+](Cc2ccnc(-c3nn[nH]n3)c2)CC1 ZINC000826505457 607500607 /nfs/dbraw/zinc/50/06/07/607500607.db2.gz WDVSVMRWJVGNSN-SFHVURJKSA-N 1 0 384.871 2.861 20 0 GFADRO COc1ccc(C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2ccccc2)cc1-c1nn[nH]n1 ZINC000826194419 607508923 /nfs/dbraw/zinc/50/89/23/607508923.db2.gz LEEIGDKIGFKOCA-IEBWSBKVSA-N 1 0 379.464 2.963 20 0 GFADRO COc1cccc(-c2n[nH]cc2C[NH2+]Cc2ccc(OC)c(-c3nn[nH]n3)c2)c1 ZINC000826213940 607568508 /nfs/dbraw/zinc/56/85/08/607568508.db2.gz SSPSGPLXFYLJDB-UHFFFAOYSA-N 1 0 391.435 2.564 20 0 GFADRO COc1ccc(-c2nn[nH]n2)cc1C[N@@H+]1CCC[C@@H](CC(=O)OC(C)(C)C)C1 ZINC000826182444 607640442 /nfs/dbraw/zinc/64/04/42/607640442.db2.gz JVXABXZQZZNKQQ-AWEZNQCLSA-N 1 0 387.484 2.819 20 0 GFADRO Cc1cc(-c2nn[nH]n2)ccc1C(=O)N[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000826247449 607668557 /nfs/dbraw/zinc/66/85/57/607668557.db2.gz DHCANRWCOUUKCW-QAPCUYQASA-N 1 0 376.464 2.740 20 0 GFADRO C[N@H+](Cc1ccccc1CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)C1CCCCC1 ZINC000825980860 607704294 /nfs/dbraw/zinc/70/42/94/607704294.db2.gz IZMPPXPKXIFBNW-UHFFFAOYSA-N 1 0 393.495 2.889 20 0 GFADRO C[C@@H]1C[N@@H+]([C@H](C(=O)[O-])c2ccccc2C(F)(F)F)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000833623099 605267707 /nfs/dbraw/zinc/26/77/07/605267707.db2.gz OQBIYKFARGAKJE-JLSDUUJJSA-N 1 0 399.457 2.789 20 0 GFADRO O=C(Cc1ccc(-c2nn[nH]n2)cc1)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000826421548 607768193 /nfs/dbraw/zinc/76/81/93/607768193.db2.gz NAEODIRQMWUTOK-UHFFFAOYSA-N 1 0 382.512 2.524 20 0 GFADRO O=C([O-])N1CCOC[C@@H]1[C@@H]1CCC[C@H]1[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000834121674 605828656 /nfs/dbraw/zinc/82/86/56/605828656.db2.gz ZDSVQMRTWUCPMH-VAMGGRTRSA-N 1 0 379.545 2.921 20 0 GFADRO Cc1ccc(NC(=O)[C@H]2CCC[N@@H+]([C@H](C)c3ccc(-c4nn[nH]n4)cc3)C2)nc1 ZINC000822242483 606072289 /nfs/dbraw/zinc/07/22/89/606072289.db2.gz MLKZUNOFGOCLJP-QAPCUYQASA-N 1 0 391.479 2.982 20 0 GFADRO Cc1ccc(NC(=O)[C@@H]2CCC[N@@H+]([C@H](C)c3ccc(-c4nn[nH]n4)cc3)C2)nc1 ZINC000822242481 606073373 /nfs/dbraw/zinc/07/33/73/606073373.db2.gz MLKZUNOFGOCLJP-CRAIPNDOSA-N 1 0 391.479 2.982 20 0 GFADRO CC[C@@H]1C[N@@H+]([C@@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)CC[C@H]1c1ccccc1 ZINC000820993972 606111166 /nfs/dbraw/zinc/11/11/66/606111166.db2.gz CZONMKJJBQPFGM-CDHQVMDDSA-N 1 0 390.491 2.909 20 0 GFADRO CN(Cc1ccccc1)[C@@H]1CC[N@H+](CCCOc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000821614836 606113887 /nfs/dbraw/zinc/11/38/87/606113887.db2.gz WSHIBFIPZKYBJK-HXUWFJFHSA-N 1 0 392.507 2.842 20 0 GFADRO O=C(C=Cc1ccccc1-c1nn[nH]n1)NC1CCC([NH+]2CCCCC2)CC1 ZINC000822928935 606190645 /nfs/dbraw/zinc/19/06/45/606190645.db2.gz NPFMYEFAVPCZMK-MDWZMJQESA-N 1 0 380.496 2.793 20 0 GFADRO c1sc(C[NH2+]CCNc2ccc(-c3ccccc3)nn2)cc1-c1nn[nH]n1 ZINC000823766599 606216399 /nfs/dbraw/zinc/21/63/99/606216399.db2.gz GBEZNIXXUBGYGQ-UHFFFAOYSA-N 1 0 378.465 2.587 20 0 GFADRO CC(C)(C)OC(=O)N1CCCC[C@H]([NH2+]Cc2cc(-c3nn[nH]n3)cs2)C1 ZINC000819933655 606217501 /nfs/dbraw/zinc/21/75/01/606217501.db2.gz YRAHCJCVQGRRER-ZDUSSCGKSA-N 1 0 378.502 2.807 20 0 GFADRO c1sc(C[NH2+]Cc2cccc(COC3CCOCC3)c2)cc1-c1nn[nH]n1 ZINC000823751647 606218975 /nfs/dbraw/zinc/21/89/75/606218975.db2.gz OBTKKVXKDJQFET-UHFFFAOYSA-N 1 0 385.493 2.914 20 0 GFADRO C[C@H]([NH2+]C1(CNc2ccc(-c3nn[nH]n3)nc2)CCOCC1)c1ccccc1 ZINC000820413541 606220053 /nfs/dbraw/zinc/22/00/53/606220053.db2.gz ROHKUHWRIVDELG-HNNXBMFYSA-N 1 0 379.468 2.574 20 0 GFADRO CN(C)c1ccc(N2CCC([NH2+]Cc3cc(-c4nn[nH]n4)cs3)CC2)cc1 ZINC000821589532 606223581 /nfs/dbraw/zinc/22/35/81/606223581.db2.gz RVUXVPDXMDXSFE-UHFFFAOYSA-N 1 0 383.525 2.753 20 0 GFADRO CCc1ccc([C@@H](C)[NH2+][C@@H]2CCN(c3sccc3-c3nn[nH]n3)C2=O)cc1 ZINC000821482902 606296862 /nfs/dbraw/zinc/29/68/62/606296862.db2.gz WDPIGKKQRSWGMO-MLGOLLRUSA-N 1 0 382.493 2.947 20 0 GFADRO O=C(Nc1cc(-c2nn[nH]n2)ccc1O)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000823290630 606297074 /nfs/dbraw/zinc/29/70/74/606297074.db2.gz ZPTWAGCZJCTINA-OAHLLOKOSA-N 1 0 396.426 2.562 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCN(c2sccc2-c2nn[nH]n2)C1=O)[C@@H](C)c1ccccc1 ZINC000820418528 606309017 /nfs/dbraw/zinc/30/90/17/606309017.db2.gz BFVUPDOURBFQDN-DVOMOZLQSA-N 1 0 382.493 2.815 20 0 GFADRO Cc1oc(NC(=O)C[N@H+]2CC[C@@H](c3ccccc3)[C@H]2C)c(-c2nn[nH]n2)c1C ZINC000822548314 606336360 /nfs/dbraw/zinc/33/63/60/606336360.db2.gz HUZHIKRKFHQOOZ-CZUORRHYSA-N 1 0 380.452 2.893 20 0 GFADRO OCC1([NH2+]Cc2cccc(OCc3ccccc3-c3nn[nH]n3)c2)CCCC1 ZINC000823713193 606337986 /nfs/dbraw/zinc/33/79/86/606337986.db2.gz DVTLIELWLAABDQ-UHFFFAOYSA-N 1 0 379.464 2.840 20 0 GFADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1cc(-c2nn[nH]n2)ccc1OC(C)C ZINC000821255280 606344213 /nfs/dbraw/zinc/34/42/13/606344213.db2.gz XMHXVTGGKDFEMT-CVEARBPZSA-N 1 0 399.499 2.744 20 0 GFADRO CCCCO[C@@H]1C[C@H]([NH2+][C@@H](C)C(=O)Nc2ccccc2-c2nn[nH]n2)C1(C)C ZINC000821071570 606372210 /nfs/dbraw/zinc/37/22/10/606372210.db2.gz IYEVHISCXVAXBL-RRQGHBQHSA-N 1 0 386.500 2.767 20 0 GFADRO Fc1ccc2c(c1)[C@H]([NH+]1CCN(c3cccc(F)c3-c3nn[nH]n3)CC1)CC2 ZINC000822782921 606374337 /nfs/dbraw/zinc/37/43/37/606374337.db2.gz MAKHZQHEMBAMLJ-QGZVFWFLSA-N 1 0 382.418 2.954 20 0 GFADRO CC[NH+]1CCN(c2ccc(NC(=O)c3cc(-c4nn[nH]n4)cs3)c(C)c2)CC1 ZINC000821276818 606481682 /nfs/dbraw/zinc/48/16/82/606481682.db2.gz NWBZFUJDGUAOBD-UHFFFAOYSA-N 1 0 397.508 2.631 20 0 GFADRO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2C(=O)c1cc(-c2nn[nH]n2)cs1 ZINC000822274704 606487497 /nfs/dbraw/zinc/48/74/97/606487497.db2.gz GNCDXJDQXHBRLM-HOCLYGCPSA-N 1 0 380.477 2.685 20 0 GFADRO FC(F)Oc1cc(-c2nn[nH]n2)ccc1CN1CC[C@H]([NH+]2CCCCC2)C1 ZINC000822731435 606489683 /nfs/dbraw/zinc/48/96/83/606489683.db2.gz DCARWPDURVZXNL-HNNXBMFYSA-N 1 0 378.427 2.528 20 0 GFADRO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2C(=O)c1ccc(-c2nn[nH]n2)s1 ZINC000822275415 606498786 /nfs/dbraw/zinc/49/87/86/606498786.db2.gz UMMGKMQDRGCQHB-ZFWWWQNUSA-N 1 0 380.477 2.685 20 0 GFADRO CN(c1ccc(NC(=O)c2ccc(-c3nn[nH]n3)s2)cc1)C1CC[NH+](C)CC1 ZINC000821622340 606516557 /nfs/dbraw/zinc/51/65/57/606516557.db2.gz ZPDYGUXRQABORU-UHFFFAOYSA-N 1 0 397.508 2.711 20 0 GFADRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+]2CC[C@@H](C)[C@@H]2C)c1-c1nn[nH]n1 ZINC000822015771 606517615 /nfs/dbraw/zinc/51/76/15/606517615.db2.gz OFNXGBVTXGZEKL-OCCSQVGLSA-N 1 0 397.483 2.595 20 0 GFADRO Cn1c2ccccc2nc1[C@@H]1CCC[N@@H+]1CCOc1ccccc1-c1nn[nH]n1 ZINC000822596488 606521795 /nfs/dbraw/zinc/52/17/95/606521795.db2.gz LVQKKQWNWZHHBV-SFHVURJKSA-N 1 0 389.463 2.969 20 0 GFADRO O=C(c1ccc(-c2nn[nH]n2)s1)N1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC000823483746 606538677 /nfs/dbraw/zinc/53/86/77/606538677.db2.gz LSWPCOWSHCXZEQ-UHFFFAOYSA-N 1 0 394.504 2.591 20 0 GFADRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)c2ccc(-c3nn[nH]n3)s2)CC1 ZINC000820570446 606564440 /nfs/dbraw/zinc/56/44/40/606564440.db2.gz JXERQWBMUPHMKU-ZDUSSCGKSA-N 1 0 382.493 2.884 20 0 GFADRO CC(C)Oc1ccc(-c2nn[nH]n2)cc1NC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000820151881 606640811 /nfs/dbraw/zinc/64/08/11/606640811.db2.gz PVVLQKWDTSRUHG-ZDUSSCGKSA-N 1 0 389.504 2.752 20 0 GFADRO COC(=O)[C@@H]1C[N@H+](Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)C[C@H]1C ZINC000821657079 606716267 /nfs/dbraw/zinc/71/62/67/606716267.db2.gz GVNBEBZGWIFYSH-AUUYWEPGSA-N 1 0 377.448 2.775 20 0 GFADRO Cc1ccc(C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)c(OC[C@@H]2CCOC2)c1 ZINC000822238431 606728035 /nfs/dbraw/zinc/72/80/35/606728035.db2.gz HNAUCCLESVLTAQ-QGZVFWFLSA-N 1 0 379.464 2.880 20 0 GFADRO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000820759499 606750316 /nfs/dbraw/zinc/75/03/16/606750316.db2.gz LFCGCSZDRMWVNJ-IGOJGBNBSA-N 1 0 390.491 2.753 20 0 GFADRO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)c1cc(-c2nn[nH]n2)cs1 ZINC000820758865 606750326 /nfs/dbraw/zinc/75/03/26/606750326.db2.gz DYJPEHDLHOJSTM-ZIAGYGMSSA-N 1 0 396.520 2.815 20 0 GFADRO Fc1ccc(OCC[NH+]2CCC(Nc3ccc(-c4nn[nH]n4)cc3)CC2)cc1 ZINC000822782725 606788605 /nfs/dbraw/zinc/78/86/05/606788605.db2.gz DFTQRRCTBZNOOM-UHFFFAOYSA-N 1 0 382.443 2.961 20 0 GFADRO O=C(C(F)=C1CCCC1)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000822911835 606820646 /nfs/dbraw/zinc/82/06/46/606820646.db2.gz BHYYNYICFUOQRO-UHFFFAOYSA-N 1 0 384.459 2.699 20 0 GFADRO O[C@H](C[NH2+]C[C@@H]1CCCO[C@H]1c1ccccc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823681640 606858458 /nfs/dbraw/zinc/85/84/58/606858458.db2.gz HWUJVCQQYPBKGR-ZCNNSNEGSA-N 1 0 379.464 2.658 20 0 GFADRO C[C@@H]1C[C@H](NC(=S)Nc2ccccc2-c2nn[nH]n2)C[N@@H+]1Cc1ccccc1 ZINC000820656223 606860280 /nfs/dbraw/zinc/86/02/80/606860280.db2.gz FBNCLFKKVKFAFO-ZBFHGGJFSA-N 1 0 393.520 2.816 20 0 GFADRO CC1CCC(OC2CC[NH+](C[C@H](O)c3ccc(-c4nn[nH]n4)cc3)CC2)CC1 ZINC000820690319 606860671 /nfs/dbraw/zinc/86/06/71/606860671.db2.gz JOSZBEHDLIGBEK-UPQHMETBSA-N 1 0 385.512 2.960 20 0 GFADRO C[N@H+](CCCOc1cccc(-c2nn[nH]n2)c1)Cc1cnn(-c2ccccc2)c1 ZINC000821600294 606883505 /nfs/dbraw/zinc/88/35/05/606883505.db2.gz GSVZURATQXTJNQ-UHFFFAOYSA-N 1 0 389.463 2.953 20 0 GFADRO CCO[C@@H]1C[C@H]([N@H+](C)C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)C12CCCCC2 ZINC000821358225 606902797 /nfs/dbraw/zinc/90/27/97/606902797.db2.gz ILGKRNCURXPMQC-GBESFXJTSA-N 1 0 385.512 2.960 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)Nc2ccc(F)c(-c3nn[nH]n3)c2)C[N@@H+]1Cc1ccccc1 ZINC000820656873 606907156 /nfs/dbraw/zinc/90/71/56/606907156.db2.gz HXXCSESCYJFIBM-CJNGLKHVSA-N 1 0 395.442 2.790 20 0 GFADRO OCCC[N@H+](C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1)[C@@H]1CCCc2ccccc21 ZINC000823718028 606910135 /nfs/dbraw/zinc/91/01/35/606910135.db2.gz PLIJVTUXHJRMAX-NHCUHLMSSA-N 1 0 393.491 2.662 20 0 GFADRO O[C@H](C[N@H+]1CC=C(c2c[nH]c3ncccc23)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823675602 606919952 /nfs/dbraw/zinc/91/99/52/606919952.db2.gz YGIVSKGYINUTGQ-LJQANCHMSA-N 1 0 387.447 2.566 20 0 GFADRO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC000820384558 606983187 /nfs/dbraw/zinc/98/31/87/606983187.db2.gz ICAPRCBFZHMQTC-GJZGRUSLSA-N 1 0 386.500 2.992 20 0 GFADRO O[C@H](C[C@H]1CCC[N@@H+]1CCCOc1ccc(-c2nn[nH]n2)cc1)c1ccco1 ZINC000823675462 606986287 /nfs/dbraw/zinc/98/62/87/606986287.db2.gz WYHRCRHBVXCJQI-SJLPKXTDSA-N 1 0 383.452 2.817 20 0 GFADRO CCCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)N[C@H](CC)C[NH+]1CCCC1 ZINC000821104991 606986999 /nfs/dbraw/zinc/98/69/99/606986999.db2.gz UPPVJEJZWJRFBG-GOSISDBHSA-N 1 0 385.516 2.663 20 0 GFADRO C[C@H]([NH2+]C1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1)c1ccnc(Cl)c1 ZINC000820420526 607046529 /nfs/dbraw/zinc/04/65/29/607046529.db2.gz SJJGMFWKYPERDN-LBPRGKRZSA-N 1 0 384.875 2.630 20 0 GFADRO CC(C)[NH+](CCCNC(=O)C(C)(C)Oc1ccc(-c2nn[nH]n2)cc1)C(C)C ZINC000820116783 607052449 /nfs/dbraw/zinc/05/24/49/607052449.db2.gz NKMQTFOVBKKYQN-UHFFFAOYSA-N 1 0 388.516 2.649 20 0 GFADRO O=C(Nc1ccccc1)C1CC[NH+](Cc2cc(F)ccc2-c2nn[nH]n2)CC1 ZINC000823368378 607057127 /nfs/dbraw/zinc/05/71/27/607057127.db2.gz VQFSEDUMZWLTHQ-UHFFFAOYSA-N 1 0 380.427 2.857 20 0 GFADRO Cc1ccccc1C(=O)NC1CC[NH+](Cc2cc(F)ccc2-c2nn[nH]n2)CC1 ZINC000822345170 607058831 /nfs/dbraw/zinc/05/88/31/607058831.db2.gz GUUGWRJMXNNFSY-UHFFFAOYSA-N 1 0 394.454 2.709 20 0 GFADRO O=C(Nc1cccc(F)c1)C1CC[NH+](Cc2cc(F)ccc2-c2nn[nH]n2)CC1 ZINC000823363636 607063129 /nfs/dbraw/zinc/06/31/29/607063129.db2.gz KQHYNVLADLNICB-UHFFFAOYSA-N 1 0 398.417 2.996 20 0 GFADRO Cc1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3cc(F)ccc3-c3nn[nH]n3)C2)nc1 ZINC000822242804 607068252 /nfs/dbraw/zinc/06/82/52/607068252.db2.gz YDQOMGAFKOEQBC-CQSZACIVSA-N 1 0 395.442 2.560 20 0 GFADRO CC(C)(Oc1ccc(-c2nn[nH]n2)cc1)C(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000819991612 607089235 /nfs/dbraw/zinc/08/92/35/607089235.db2.gz JPJYLYYLQJPCIF-UHFFFAOYSA-N 1 0 398.511 2.501 20 0 GFADRO CC[C@H](Cc1ccccc1)[N@H+](CC)CC(=O)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000820916068 607091168 /nfs/dbraw/zinc/09/11/68/607091168.db2.gz XUXKSIHOBVZQRT-HXUWFJFHSA-N 1 0 392.507 2.826 20 0 GFADRO CC[NH+](CC)CCN(Cc1cccs1)C(=O)c1cc(-c2nn[nH]n2)cs1 ZINC000821190004 607131762 /nfs/dbraw/zinc/13/17/62/607131762.db2.gz XIKZBMIEGVLMSD-UHFFFAOYSA-N 1 0 390.538 2.974 20 0 GFADRO CC1(C)CC(NC(=O)Nc2ccc(-c3nn[nH]n3)cc2Cl)CC(C)(C)[NH2+]1 ZINC000820589734 607200592 /nfs/dbraw/zinc/20/05/92/607200592.db2.gz LXDYDJKQCNHQAM-UHFFFAOYSA-N 1 0 377.880 2.951 20 0 GFADRO Fc1cccc(F)c1-c1n[nH]cc1C[NH2+]CCOc1ccc(-c2nn[nH]n2)cc1 ZINC000822786106 607229238 /nfs/dbraw/zinc/22/92/38/607229238.db2.gz DKPHQWCCWPXUNV-UHFFFAOYSA-N 1 0 397.389 2.704 20 0 GFADRO OC[C@@H](C[NH2+]Cc1cc(-c2nn[nH]n2)cs1)Cc1ccc(C(F)(F)F)cc1 ZINC000823707295 607230120 /nfs/dbraw/zinc/23/01/20/607230120.db2.gz YYIYZAUSBOMYMV-GFCCVEGCSA-N 1 0 397.426 2.888 20 0 GFADRO O[C@H]1CC[C@H]([NH2+]Cc2cccc(OCc3cccc(-c4nn[nH]n4)c3)c2)CC1 ZINC000826510766 607813225 /nfs/dbraw/zinc/81/32/25/607813225.db2.gz JPXSQVUGAPKCRU-WGSAOQKQSA-N 1 0 379.464 2.839 20 0 GFADRO Fc1ccc(C[NH2+]C2CCN(c3ccc(-c4nn[nH]n4)cn3)CC2)cc1Cl ZINC000826375057 607909164 /nfs/dbraw/zinc/90/91/64/607909164.db2.gz XRGOEJOLLYWITG-UHFFFAOYSA-N 1 0 387.850 2.813 20 0 GFADRO C[C@H](CO)CCC[NH2+]Cc1cccc(OCc2ccccc2-c2nn[nH]n2)c1 ZINC000824433142 607977103 /nfs/dbraw/zinc/97/71/03/607977103.db2.gz CETUNRFARKQBFF-INIZCTEOSA-N 1 0 381.480 2.944 20 0 GFADRO COC(=O)C(C)(C)[C@@H]([NH2+]Cc1ccc(OC)c(-c2nn[nH]n2)c1)c1ccccc1 ZINC000826098743 607985279 /nfs/dbraw/zinc/98/52/79/607985279.db2.gz NIXHQDUQCVGRDB-SFHVURJKSA-N 1 0 395.463 2.905 20 0 GFADRO CC[NH+](CC)CCOc1ccc(C(=O)Nc2cc(-c3nn[nH]n3)ccc2O)cc1 ZINC000825412760 607997962 /nfs/dbraw/zinc/99/79/62/607997962.db2.gz SWHSGUDFOLWJLN-UHFFFAOYSA-N 1 0 396.451 2.545 20 0 GFADRO COc1ccc2c(c1)CC[N@@H+](CCCOc1cccc(-c3nn[nH]n3)c1)CC2 ZINC000826212802 608037610 /nfs/dbraw/zinc/03/76/10/608037610.db2.gz BQBABHVENDXOLH-UHFFFAOYSA-N 1 0 379.464 2.745 20 0 GFADRO CN1CC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)[C@@H]1c1ccc(F)c(F)c1 ZINC000826028947 608113640 /nfs/dbraw/zinc/11/36/40/608113640.db2.gz KZFSUCWJHRPNTI-ZBFHGGJFSA-N 1 0 376.436 2.741 20 0 GFADRO CN1CC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)[C@H]1c1ccc(F)c(F)c1 ZINC000826028944 608113842 /nfs/dbraw/zinc/11/38/42/608113842.db2.gz KZFSUCWJHRPNTI-GDBMZVCRSA-N 1 0 376.436 2.741 20 0 GFADRO CC[N@H+](CCc1ccccn1)[C@@H](C)C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000825428595 608164886 /nfs/dbraw/zinc/16/48/86/608164886.db2.gz QVBZWTFOSGCTAK-ZDUSSCGKSA-N 1 0 399.886 2.807 20 0 GFADRO C[C@@H]([NH2+]C1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1)c1ccc(Cl)nc1 ZINC000824553235 608200695 /nfs/dbraw/zinc/20/06/95/608200695.db2.gz AGDGCMNXCXOVGF-GFCCVEGCSA-N 1 0 384.875 2.630 20 0 GFADRO O=C([C@H]1CC12CC[NH+](Cc1ccc(F)cc1-c1nn[nH]n1)CC2)N1CCCCC1 ZINC000826397561 608212410 /nfs/dbraw/zinc/21/24/10/608212410.db2.gz GRXMCFXYDHYTOC-GOSISDBHSA-N 1 0 398.486 2.620 20 0 GFADRO CN1CCO[C@H]([C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)c2ccc(Cl)cc2)C1 ZINC000826045579 608243027 /nfs/dbraw/zinc/24/30/27/608243027.db2.gz ZOTMYJGWRRQFNJ-RBUKOAKNSA-N 1 0 398.898 2.682 20 0 GFADRO C[C@@H]([NH2+]CCOc1ccc(-c2nn[nH]n2)cc1)c1cnn(Cc2ccccc2)c1 ZINC000824600191 608279724 /nfs/dbraw/zinc/27/97/24/608279724.db2.gz XPFUXCBVAWEPKU-MRXNPFEDSA-N 1 0 389.463 2.841 20 0 GFADRO Cc1cc[nH+]c(NC[C@H]2CCN(c3nc4c(cc3-c3nn[nH]n3)CCCC4)C2)c1 ZINC000826313966 608280433 /nfs/dbraw/zinc/28/04/33/608280433.db2.gz ZUNBWGKCOPVZHU-OAHLLOKOSA-N 1 0 390.495 2.782 20 0 GFADRO COCC[C@@H](Cc1cccc(F)c1)[NH2+]CCOc1ccc(-c2nn[nH]n2)cc1 ZINC000826153817 608281762 /nfs/dbraw/zinc/28/17/62/608281762.db2.gz ARTZVIRZDHKABH-SFHVURJKSA-N 1 0 385.443 2.622 20 0 GFADRO C[C@H](C[C@H](C)NC(=O)OC(C)(C)C)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC000824393604 608283780 /nfs/dbraw/zinc/28/37/80/608283780.db2.gz UCHDNIKWKONLFI-NEPJUHHUSA-N 1 0 378.452 2.787 20 0 GFADRO CC[NH+](CC)C[C@@H]1CCN(Cc2c(-c3nn[nH]n3)c(C)nn2-c2ccccc2)C1 ZINC000825412070 608314239 /nfs/dbraw/zinc/31/42/39/608314239.db2.gz JECIRGGOCHAFBU-KRWDZBQOSA-N 1 0 394.527 2.525 20 0 GFADRO CC(C)[C@@H](C(=O)NCc1ccc(-c2ccccc2-c2nn[nH]n2)cc1)[NH+](C)C ZINC000824184047 608329291 /nfs/dbraw/zinc/32/92/91/608329291.db2.gz CVRZKXLHIOHGQD-IBGZPJMESA-N 1 0 378.480 2.736 20 0 GFADRO COc1cc(-c2nn[nH]n2)ccc1CN1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000826168984 608362849 /nfs/dbraw/zinc/36/28/49/608362849.db2.gz DTFSHHADSURGBI-IRXDYDNUSA-N 1 0 384.528 2.962 20 0 GFADRO COc1cc(-c2nn[nH]n2)ccc1C[N@@H+]1CCC[C@@H](CC(=O)OC(C)(C)C)C1 ZINC000826169155 608368799 /nfs/dbraw/zinc/36/87/99/608368799.db2.gz JWMKURSXBLUCMQ-AWEZNQCLSA-N 1 0 387.484 2.819 20 0 GFADRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(c2nc3c(cc2-c2nn[nH]n2)CCCC3)C1 ZINC000824906953 608369304 /nfs/dbraw/zinc/36/93/04/608369304.db2.gz FZZNTRXYUBNSFI-INMHGKMJSA-N 1 0 381.528 2.982 20 0 GFADRO COc1cc(-c2nn[nH]n2)ccc1C[N@@H+]1CCCC[C@@H]1[C@@H](O)c1ccccc1 ZINC000826168880 608370187 /nfs/dbraw/zinc/37/01/87/608370187.db2.gz BBVGGHAHISSCLH-QUCCMNQESA-N 1 0 379.464 2.963 20 0 GFADRO C[C@H]([NH2+]CC(=O)NCc1ccc(-c2nn[nH]n2)cc1)c1cccc2ccccc21 ZINC000824564863 608425716 /nfs/dbraw/zinc/42/57/16/608425716.db2.gz XHMBGBJULMEANA-HNNXBMFYSA-N 1 0 386.459 2.987 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)N2CC=C(c3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC000825855584 608426462 /nfs/dbraw/zinc/42/64/62/608426462.db2.gz HVOVOLNJSOAXRK-RBUKOAKNSA-N 1 0 395.511 2.538 20 0 GFADRO COc1ccc([C@@H](C)[NH2+]CC(=O)Nc2sc(C)c(C)c2-c2nn[nH]n2)cc1 ZINC000826188202 608431793 /nfs/dbraw/zinc/43/17/93/608431793.db2.gz QFYGADBVNQWEJV-LLVKDONJSA-N 1 0 386.481 2.843 20 0 GFADRO CC(C)Oc1ccc([C@H](C)[NH2+]CC(=O)Nc2cccc(-c3nn[nH]n3)c2)cc1 ZINC000824324849 608437669 /nfs/dbraw/zinc/43/76/69/608437669.db2.gz WSZVAEMHALNZCG-AWEZNQCLSA-N 1 0 380.452 2.943 20 0 GFADRO O=C(OCc1cccc(-c2nn[nH]n2)c1F)C1CC[NH+](Cc2ccccc2)CC1 ZINC000826465809 608450217 /nfs/dbraw/zinc/45/02/17/608450217.db2.gz DMZKJLIOMBYCKT-UHFFFAOYSA-N 1 0 395.438 2.961 20 0 GFADRO OC[C@H]([NH2+]Cc1cc(-c2nn[nH]n2)cs1)c1ccc(Br)cc1 ZINC000826508679 608452142 /nfs/dbraw/zinc/45/21/42/608452142.db2.gz YMTZBKZECXJGLW-ZDUSSCGKSA-N 1 0 380.271 2.514 20 0 GFADRO CC(C)Oc1ccccc1[C@@H](C)[NH2+]CC(=O)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000824333863 608453065 /nfs/dbraw/zinc/45/30/65/608453065.db2.gz OSIDPSCHVOFUNF-OAHLLOKOSA-N 1 0 394.479 2.621 20 0 GFADRO C[C@H]([NH2+]CCOc1ccc(-c2nn[nH]n2)cc1)c1ccc(NC(=O)C2CC2)cc1 ZINC000824600364 608457749 /nfs/dbraw/zinc/45/77/49/608457749.db2.gz ZFUSKSRTGKLZIZ-AWEZNQCLSA-N 1 0 392.463 2.945 20 0 GFADRO COc1ccc(F)cc1[C@H](C)[NH2+]CCC(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000826209210 608459921 /nfs/dbraw/zinc/45/99/21/608459921.db2.gz QYFVGBFZXSGVBD-LBPRGKRZSA-N 1 0 384.415 2.694 20 0 GFADRO Cc1ccccc1C[C@@H](C)NC(=O)C[NH2+][C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000826307146 608460212 /nfs/dbraw/zinc/46/02/12/608460212.db2.gz XOKZULOLXQUNPZ-HZPDHXFCSA-N 1 0 378.480 2.573 20 0 GFADRO Cc1ccc(S(=O)(=O)CCC[NH2+][C@H](C)c2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000826292787 608463153 /nfs/dbraw/zinc/46/31/53/608463153.db2.gz LXPNVIWSPQAZFA-OAHLLOKOSA-N 1 0 385.493 2.690 20 0 GFADRO C[C@H]([NH2+]CC(=O)N1c2ccccc2CC[C@@H]1C)c1cccc(-c2nn[nH]n2)c1 ZINC000824553790 608489108 /nfs/dbraw/zinc/48/91/08/608489108.db2.gz IATSZRMNVKZUHJ-GJZGRUSLSA-N 1 0 376.464 2.885 20 0 GFADRO Cc1ccc(C(=O)NCC[NH2+][C@H]2CCCc3cc(-c4nn[nH]n4)ccc32)cc1F ZINC000826282096 608500529 /nfs/dbraw/zinc/50/05/29/608500529.db2.gz XXTGBGIVFRBQCI-IBGZPJMESA-N 1 0 394.454 2.711 20 0 GFADRO CCOc1cccc(CN2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)c1 ZINC000825649291 608502397 /nfs/dbraw/zinc/50/23/97/608502397.db2.gz OABLDZMAQKAGPJ-UHFFFAOYSA-N 1 0 378.480 2.583 20 0 GFADRO c1ccc2c(c1)cncc2CN1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826522503 608504039 /nfs/dbraw/zinc/50/40/39/608504039.db2.gz DMXGXSCNOCXBHH-UHFFFAOYSA-N 1 0 385.475 2.733 20 0 GFADRO FC(F)(F)CN1CCC([NH2+][C@H]2CCCc3cc(-c4nn[nH]n4)ccc32)CC1 ZINC000826367875 608507878 /nfs/dbraw/zinc/50/78/78/608507878.db2.gz RJNWKHTZMJCFHH-INIZCTEOSA-N 1 0 380.418 2.860 20 0 GFADRO CN(C)C(=O)[C@@H](Cc1ccccc1)[NH2+][C@H]1CCCc2cc(-c3nn[nH]n3)ccc21 ZINC000825833640 608510933 /nfs/dbraw/zinc/51/09/33/608510933.db2.gz JQSJCHCVEZKMPS-VQTJNVASSA-N 1 0 390.491 2.533 20 0 GFADRO Fc1cccnc1N1CC[C@H]([NH2+][C@@H]2CCCc3cc(-c4nn[nH]n4)ccc32)C1 ZINC000826378310 608516814 /nfs/dbraw/zinc/51/68/14/608516814.db2.gz DKEIAHFKLGCENR-MAUKXSAKSA-N 1 0 379.443 2.647 20 0 GFADRO COc1ccc(-c2nn[nH]n2)cc1C[NH2+][C@H](C)c1ccccc1-n1cccn1 ZINC000826184372 608518223 /nfs/dbraw/zinc/51/82/23/608518223.db2.gz URADVZNMFCQGRQ-CQSZACIVSA-N 1 0 375.436 2.912 20 0 GFADRO O=C(C[NH2+]C1(c2cccc(-c3nn[nH]n3)c2)CC1)N[C@@H](c1ccccc1)C1CC1 ZINC000826412371 608531726 /nfs/dbraw/zinc/53/17/26/608531726.db2.gz LPKARIJXHWEQKU-FQEVSTJZSA-N 1 0 388.475 2.713 20 0 GFADRO O=C(C[NH2+][C@H](c1ccccc1)C1CCOCC1)Nc1sccc1-c1nn[nH]n1 ZINC000826412177 608535987 /nfs/dbraw/zinc/53/59/87/608535987.db2.gz FECFSSIWWVHZCQ-QGZVFWFLSA-N 1 0 398.492 2.624 20 0 GFADRO CC[C@H]([NH2+]C[C@@H](O)COc1ccc(-c2nn[nH]n2)cc1)c1cc(F)ccc1F ZINC000825139034 608536322 /nfs/dbraw/zinc/53/63/22/608536322.db2.gz AGYGQOLMVNUXKP-KDOFPFPSSA-N 1 0 389.406 2.626 20 0 GFADRO O[C@@H](C[NH+]1CCC(OCc2ccccc2F)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000826503210 608591436 /nfs/dbraw/zinc/59/14/36/608591436.db2.gz SUYSZHJVPPHGII-FQEVSTJZSA-N 1 0 397.454 2.720 20 0 GFADRO CCc1nn(C)c(CC)c1C[NH+]1CCC(Oc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000825754721 608603517 /nfs/dbraw/zinc/60/35/17/608603517.db2.gz FXFPREKMUIEMRR-UHFFFAOYSA-N 1 0 395.511 2.768 20 0 GFADRO CC(C)Oc1ccc(NC(=O)N2CCCC23CC[NH+](C)CC3)cc1-c1nn[nH]n1 ZINC000824329053 608607948 /nfs/dbraw/zinc/60/79/48/608607948.db2.gz GLZLVEXNGNKUNL-UHFFFAOYSA-N 1 0 399.499 2.746 20 0 GFADRO CN(Cc1cccc(-c2nn[nH]n2)c1F)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000825976243 608650588 /nfs/dbraw/zinc/65/05/88/608650588.db2.gz HXCGWZCYAXRPFM-KRWDZBQOSA-N 1 0 380.471 2.960 20 0 GFADRO O=C(Nc1ccc(F)cc1)C1CC[NH+](Cc2cc(-c3nn[nH]n3)cs2)CC1 ZINC000826454239 608676047 /nfs/dbraw/zinc/67/60/47/608676047.db2.gz OLHPYJIVPBBDOV-UHFFFAOYSA-N 1 0 386.456 2.918 20 0 GFADRO CN(C[C@@H]1CCC[N@@H+]1Cc1cc(-c2nn[nH]n2)cs1)C(=O)OC(C)(C)C ZINC000825908490 608748417 /nfs/dbraw/zinc/74/84/17/608748417.db2.gz INCPWKCSSPDWLB-ZDUSSCGKSA-N 1 0 378.502 2.760 20 0 GFADRO Cc1cccc(N2CC[NH+](CCCCNc3cnccc3-c3nn[nH]n3)CC2)c1 ZINC000826299227 608772611 /nfs/dbraw/zinc/77/26/11/608772611.db2.gz WIAXJYXZUMFZIT-UHFFFAOYSA-N 1 0 392.511 2.584 20 0 GFADRO COc1cc(-c2nn[nH]n2)ccc1C[N@@H+]1CCC[C@H]1Cn1cnc2ccccc21 ZINC000826169029 608802199 /nfs/dbraw/zinc/80/21/99/608802199.db2.gz GKTMKCSUCRQJRG-KRWDZBQOSA-N 1 0 389.463 2.890 20 0 GFADRO C[C@@H]1CC[C@@H](C(F)(F)F)C[N@@H+]1CCC(=O)Nc1sccc1-c1nn[nH]n1 ZINC000824906720 609148495 /nfs/dbraw/zinc/14/84/95/609148495.db2.gz DGXSGYXICFMWPZ-NXEZZACHSA-N 1 0 388.419 2.920 20 0 GFADRO CC[C@@H]1CN(C(=O)C2CC2)CC[C@@H]1[NH2+][C@@H](C)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000825205436 609148656 /nfs/dbraw/zinc/14/86/56/609148656.db2.gz WBGOBKFXAMQEJE-JCGVRSQUSA-N 1 0 386.475 2.694 20 0 GFADRO C[C@@H]([NH2+][C@H]1CCN(c2ncccc2Cl)C1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824555852 609149893 /nfs/dbraw/zinc/14/98/93/609149893.db2.gz YIDOLIKKAOKVDS-YPMHNXCESA-N 1 0 387.850 2.984 20 0 GFADRO C[C@H]([NH2+]CCCNC(=O)c1cccc(F)c1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824593218 609150818 /nfs/dbraw/zinc/15/08/18/609150818.db2.gz PMQMSVCARDGUBS-LBPRGKRZSA-N 1 0 386.406 2.616 20 0 GFADRO C[C@@H]([NH2+]CCc1nc2cc(F)ccc2n1C)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824604212 609151929 /nfs/dbraw/zinc/15/19/29/609151929.db2.gz AGQFZAJVAXCMFH-LLVKDONJSA-N 1 0 383.406 2.925 20 0 GFADRO C[C@H]([NH2+][C@@H](C)c1ccc(-c2nn[nH]n2)c(F)c1)c1ccc(-n2ccnn2)cc1 ZINC000824532861 609154527 /nfs/dbraw/zinc/15/45/27/609154527.db2.gz XHKQYZVZSMJXME-STQMWFEESA-N 1 0 378.415 2.998 20 0 GFADRO C[C@H](CSC(C)(C)C)[NH2+][C@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000824450061 609169600 /nfs/dbraw/zinc/16/96/00/609169600.db2.gz RKPXCSRIQWJUTO-CJNGLKHVSA-N 1 0 388.541 2.872 20 0 GFADRO C[C@H]([NH2+][C@]1(CO)CCCN(Cc2ccccc2)C1)c1cccc(-c2nn[nH]n2)c1 ZINC000824538335 609235311 /nfs/dbraw/zinc/23/53/11/609235311.db2.gz IAXFKGCQSGBIID-HTAPYJJXSA-N 1 0 392.507 2.544 20 0 GFADRO C[C@H]([NH2+]C[C@@H]1COC2(CCC(C)CC2)O1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824919123 609256173 /nfs/dbraw/zinc/25/61/73/609256173.db2.gz RVEFRLNYBYKGTE-NWGJFKLVSA-N 1 0 375.448 2.978 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)c1ccc(Cl)c(-c2nn[nH]n2)c1 ZINC000824936485 609287918 /nfs/dbraw/zinc/28/79/18/609287918.db2.gz HZYFLVQKRCWFNQ-CYBMUJFWSA-N 1 0 376.892 2.905 20 0 GFADRO C[C@@H](NC(=O)c1c(F)cc(-c2nn[nH]n2)cc1F)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000824506223 609292026 /nfs/dbraw/zinc/29/20/26/609292026.db2.gz MSZODLTWBSSBGU-VXGBXAGGSA-N 1 0 390.438 2.528 20 0 GFADRO C[C@@H](NCc1ccccc1OCC[NH+](C)C)c1ccc(-c2nn[nH]n2)cc1F ZINC000824626129 609331889 /nfs/dbraw/zinc/33/18/89/609331889.db2.gz MGCLXVCXRQESCG-CQSZACIVSA-N 1 0 384.459 2.797 20 0 GFADRO CC(C)[NH+](CCCNCc1cn(C)nc1-c1ccc(-c2nn[nH]n2)cc1)C(C)C ZINC000824288530 609340851 /nfs/dbraw/zinc/34/08/51/609340851.db2.gz IYACJMQGCZATHY-UHFFFAOYSA-N 1 0 396.543 2.866 20 0 GFADRO COc1cccc([C@H]2[C@H]([NH2+]Cc3ccccc3-c3nn[nH]n3)CCN2C2CC2)c1 ZINC000826215785 609346356 /nfs/dbraw/zinc/34/63/56/609346356.db2.gz YTLGCJNZZGVCIA-RTWAWAEBSA-N 1 0 390.491 2.943 20 0 GFADRO CC1(C)CC[C@H](C(=O)N2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC000824797165 609375742 /nfs/dbraw/zinc/37/57/42/609375742.db2.gz WMUJSQPLZODBCA-SFHVURJKSA-N 1 0 382.512 2.727 20 0 GFADRO O[C@@H]1CC[N@H+](Cc2ccccc2CNc2cc(Cl)ccc2-c2nn[nH]n2)C1 ZINC000826507041 609388672 /nfs/dbraw/zinc/38/86/72/609388672.db2.gz HWKCVUOHBYCPSB-MRXNPFEDSA-N 1 0 384.871 2.699 20 0 GFADRO O=C1[C@H]([NH2+]Cc2nccc3ccccc32)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476992 609415885 /nfs/dbraw/zinc/41/58/85/609415885.db2.gz SVQVAPDMBKXIIX-LJQANCHMSA-N 1 0 399.458 2.700 20 0 GFADRO O=C1[C@H]([NH2+][C@@H]2CCc3ccc(F)cc32)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826477140 609415914 /nfs/dbraw/zinc/41/59/14/609415914.db2.gz WKGILTPIUIDFPM-RTBURBONSA-N 1 0 392.438 2.778 20 0 GFADRO CC[C@@H]([NH2+][C@@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O)c1c(C)noc1C ZINC000825139060 609416793 /nfs/dbraw/zinc/41/67/93/609416793.db2.gz AYDLGAKOTJYXMW-IAGOWNOFSA-N 1 0 395.467 2.708 20 0 GFADRO COc1ccc([C@H](C[NH+]2CCCC2)NC(=O)c2ccc(-c3nn[nH]n3)s2)cc1 ZINC000826189176 609468309 /nfs/dbraw/zinc/46/83/09/609468309.db2.gz OYNBLPIZFXETHX-HNNXBMFYSA-N 1 0 398.492 2.504 20 0 GFADRO C[C@@H](CCNC(=O)Nc1cc(-c2nn[nH]n2)cn1C(C)(C)C)[NH+]1CCCCC1 ZINC000824401166 609496846 /nfs/dbraw/zinc/49/68/46/609496846.db2.gz NPYOWEIJJBUTQZ-AWEZNQCLSA-N 1 0 388.520 2.809 20 0 GFADRO Cc1c(Cl)cnc(N2CCC[N@H+](Cc3ccccc3)CC2)c1-c1nn[nH]n1 ZINC000826238080 609526474 /nfs/dbraw/zinc/52/64/74/609526474.db2.gz VVWDOQRJEHXGDF-UHFFFAOYSA-N 1 0 383.887 2.936 20 0 GFADRO C[C@H]1CC(C(=O)N(CC[NH+](C)C)Cc2ccc(-c3nn[nH]n3)cc2)C[C@H](C)C1 ZINC000824877565 609529918 /nfs/dbraw/zinc/52/99/18/609529918.db2.gz YMWAWGSOTYKFLV-HZPDHXFCSA-N 1 0 384.528 2.829 20 0 GFADRO CC[NH+](CC)CCOc1ccc(CNc2nccc(C)c2-c2nn[nH]n2)cc1 ZINC000825416119 609533418 /nfs/dbraw/zinc/53/34/18/609533418.db2.gz HRAQQFCGIJFMRQ-UHFFFAOYSA-N 1 0 381.484 2.903 20 0 GFADRO Cc1ccnc(NCc2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)c1-c1nn[nH]n1 ZINC000826314044 609533758 /nfs/dbraw/zinc/53/37/58/609533758.db2.gz CZTOPZJIFQHCRN-HZPDHXFCSA-N 1 0 393.495 2.791 20 0 GFADRO Cc1c(Cl)cnc(NCCCC[NH+]2C[C@H](C)O[C@@H](C)C2)c1-c1nn[nH]n1 ZINC000826239523 609573816 /nfs/dbraw/zinc/57/38/16/609573816.db2.gz JXZSWHNYQDFRHV-RYUDHWBXSA-N 1 0 379.896 2.525 20 0 GFADRO Cc1c(Cl)cnc(N(CC[NH+](C)C)Cc2ccccc2F)c1-c1nn[nH]n1 ZINC000826237074 609574530 /nfs/dbraw/zinc/57/45/30/609574530.db2.gz NCLCRCZXNKGLFU-UHFFFAOYSA-N 1 0 389.866 2.931 20 0 GFADRO c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H](Nc4ccc(-c5nn[nH]n5)nc4)[C@H]3C2)cc1 ZINC000826521692 609595241 /nfs/dbraw/zinc/59/52/41/609595241.db2.gz VTPNXQRJKOUNBM-YTQUADARSA-N 1 0 375.480 2.974 20 0 GFADRO CC(C)c1ncc(C[NH2+][C@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)s1 ZINC000824364409 609600822 /nfs/dbraw/zinc/60/08/22/609600822.db2.gz FKULRANUQOLTSI-INIZCTEOSA-N 1 0 397.508 2.732 20 0 GFADRO C[NH+](C)C1CCC(NC(=O)NC[C@@H](O)c2cccc(Br)c2)CC1 ZINC000817177327 660184989 /nfs/dbraw/zinc/18/49/89/660184989.db2.gz FNSQGLGLEXPSEY-UYSNPLJNSA-N 1 0 384.318 2.655 20 0 GFADRO C[NH+](C)CCn1ccc(NC(=O)[C@@H]2C[C@H]2c2cccc(Br)c2)n1 ZINC000522272272 650624560 /nfs/dbraw/zinc/62/45/60/650624560.db2.gz NWWXQHKSGAIMFT-LSDHHAIUSA-N 1 0 377.286 2.949 20 0 GFADRO O=C(Nc1cc2ccc(Br)cn2n1)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000482170478 650661486 /nfs/dbraw/zinc/66/14/86/650661486.db2.gz QUIOFFBSFWSHQD-ZIAGYGMSSA-N 1 0 378.274 2.845 20 0 GFADRO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)Nc2cc3ccc(Br)cn3n2)C1 ZINC000482200573 650662091 /nfs/dbraw/zinc/66/20/91/650662091.db2.gz OXRVGUNKLGJHSV-SMDDNHRTSA-N 1 0 380.290 2.947 20 0 GFADRO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CCNc1cnccn1 ZINC000532247084 650747019 /nfs/dbraw/zinc/74/70/19/650747019.db2.gz RALSKJJILJDVEQ-GFCCVEGCSA-N 1 0 378.274 2.658 20 0 GFADRO COc1c(Br)cc(Br)cc1C[NH2+]CC[S@@](C)=O ZINC000134741052 655002475 /nfs/dbraw/zinc/00/24/75/655002475.db2.gz KYDHDVYTXUADCX-KRWDZBQOSA-N 1 0 385.121 2.688 20 0 GFADRO COc1c(Br)cc(Br)cc1C[NH2+]CC[S@](C)=O ZINC000134741036 655002486 /nfs/dbraw/zinc/00/24/86/655002486.db2.gz KYDHDVYTXUADCX-QGZVFWFLSA-N 1 0 385.121 2.688 20 0 GFADRO CC[NH+]1CCN([C@H](C)CNc2ncnc3cc(F)c(Br)cc32)CC1 ZINC000544352921 650939950 /nfs/dbraw/zinc/93/99/50/650939950.db2.gz FCHICHXHHZFZLN-GFCCVEGCSA-N 1 0 396.308 2.969 20 0 GFADRO CCCN(CC[NH+](CC)CC)C(=O)c1cccc(S(=O)(=O)C(F)F)c1 ZINC000817445056 660195813 /nfs/dbraw/zinc/19/58/13/660195813.db2.gz QGOHKXFYAFOLKE-UHFFFAOYSA-N 1 0 376.469 2.877 20 0 GFADRO CC(=O)N/C(=C\c1cccs1)C(=O)N(CC[NH+](C)C)Cc1ccsc1 ZINC000817616100 660202815 /nfs/dbraw/zinc/20/28/15/660202815.db2.gz OMXJJBXTPNCITO-BOPFTXTBSA-N 1 0 377.535 2.877 20 0 GFADRO CC[NH+]1CCC(N2CCCN(C(=O)NC[C@]3(C)CC3(Cl)Cl)CC2)CC1 ZINC000817785887 660208702 /nfs/dbraw/zinc/20/87/02/660208702.db2.gz OULXFZCWMVVOCV-KRWDZBQOSA-N 1 0 391.387 2.772 20 0 GFADRO Cc1ccc([C@H](C)NC(=O)C(=O)N(CC[NH+](C)C)Cc2ccsc2)s1 ZINC000817808388 660209281 /nfs/dbraw/zinc/20/92/81/660209281.db2.gz SAQXJMKAJZIVHC-AWEZNQCLSA-N 1 0 379.551 2.886 20 0 GFADRO CCOC(=O)[C@@H]1NCC[C@@H]1[NH2+]C1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000817900783 660211691 /nfs/dbraw/zinc/21/16/91/660211691.db2.gz RZFYEIHEWSFEDM-FSZOTQKASA-N 1 0 376.341 2.779 20 0 GFADRO [NH3+][C@H]1CCCCC[C@@H]1NCCOc1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000817916522 660211889 /nfs/dbraw/zinc/21/18/89/660211889.db2.gz GYGALLBORQVFSG-GJZGRUSLSA-N 1 0 380.432 2.609 20 0 GFADRO CN(C[C@@H](O)C[NH2+]Cc1cc(Br)ccc1F)C(=O)OC(C)(C)C ZINC000818164771 660217994 /nfs/dbraw/zinc/21/79/94/660217994.db2.gz BAQGCQIUEYLNDR-ZDUSSCGKSA-N 1 0 391.281 2.906 20 0 GFADRO O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1cc2cccc(Cl)c2o1 ZINC000818594045 660229448 /nfs/dbraw/zinc/22/94/48/660229448.db2.gz AINMUZQJBHQIHN-ZDUSSCGKSA-N 1 0 375.778 2.652 20 0 GFADRO CC(C)(C)OC(=O)CS(=O)(=O)CC[NH2+]CCc1cc(Cl)cc(Cl)c1 ZINC000818979639 660240896 /nfs/dbraw/zinc/24/08/96/660240896.db2.gz STDGAMIXBXTIPS-UHFFFAOYSA-N 1 0 396.336 2.882 20 0 GFADRO O=C(NCCC[NH2+]C[C@@H](O)c1ccc(Br)cc1)c1ccccc1 ZINC000818988791 660241880 /nfs/dbraw/zinc/24/18/80/660241880.db2.gz DCIPVQKRONPDSG-QGZVFWFLSA-N 1 0 377.282 2.892 20 0 GFADRO CC(C)(C)[S@](=O)CC[NH2+]C[C@@](C)(O)c1ccc(Br)cc1F ZINC000819055531 660244801 /nfs/dbraw/zinc/24/48/01/660244801.db2.gz GLZFMAZQSCSHKQ-QVKFZJNVSA-N 1 0 380.323 2.933 20 0 GFADRO Cc1cc(Br)cn2cc(C[NH2+]C[C@@H](O)c3ccc(F)cn3)nc12 ZINC000819229250 660250905 /nfs/dbraw/zinc/25/09/05/660250905.db2.gz LPJSNTUPBFPDAJ-OAHLLOKOSA-N 1 0 379.233 2.763 20 0 GFADRO C[C@H](C[NH2+]C[C@@H](O)COc1ccc(Br)cc1)CC1(C)OCCO1 ZINC000819095478 660246359 /nfs/dbraw/zinc/24/63/59/660246359.db2.gz GKJFHJGTNXRHAY-DZGCQCFKSA-N 1 0 388.302 2.568 20 0 GFADRO CC(C)OCCN1CCC([NH2+]C[C@H](O)c2ccc(Br)cc2)CC1 ZINC000819128012 660247369 /nfs/dbraw/zinc/24/73/69/660247369.db2.gz DDUQLXGLHAFCHU-SFHVURJKSA-N 1 0 385.346 2.962 20 0 GFADRO CS(=O)(=O)Cc1ccccc1C[NH2+]C[C@@H](O)c1ccc(Br)cc1 ZINC000819134437 660247585 /nfs/dbraw/zinc/24/75/85/660247585.db2.gz HHWBITUCCYNNBN-QGZVFWFLSA-N 1 0 398.322 2.817 20 0 GFADRO O[C@H](C[NH2+][C@@H]1CCN(c2ncccc2F)C1)c1cccc(Br)c1 ZINC000819150386 660248025 /nfs/dbraw/zinc/24/80/25/660248025.db2.gz RQGBFBOAOYWWDP-GDBMZVCRSA-N 1 0 380.261 2.885 20 0 GFADRO CCC(=O)N1CC[C@@H]([NH2+]C[C@@](C)(O)c2ccc(Br)cc2Cl)C1 ZINC000819162108 660248367 /nfs/dbraw/zinc/24/83/67/660248367.db2.gz OWTIAKNMDDGWJW-MLGOLLRUSA-N 1 0 389.721 2.911 20 0 GFADRO O=C(C1CCCC1)N1CC[C@H]([NH2+]C[C@@H](O)c2ccccc2Br)C1 ZINC000819164106 660248530 /nfs/dbraw/zinc/24/85/30/660248530.db2.gz OWJUTLQVJYYACT-WMLDXEAASA-N 1 0 381.314 2.863 20 0 GFADRO CC(C)(C)OC(=O)NCC[C@@H](O)C[NH2+]Cc1ccc(O)c(Br)c1 ZINC000819176860 660248726 /nfs/dbraw/zinc/24/87/26/660248726.db2.gz OKQWWHQFGGTURE-GFCCVEGCSA-N 1 0 389.290 2.520 20 0 GFADRO O=S1(=O)CCCN1c1ccc(C[NH2+]C[C@H](O)c2cccc(Cl)c2)cc1 ZINC000819235132 660251225 /nfs/dbraw/zinc/25/12/25/660251225.db2.gz MSEIQYOMVUXAJS-SFHVURJKSA-N 1 0 380.897 2.703 20 0 GFADRO Cc1cccc(C[NH2+]C[C@@H](O)c2ccc(S(C)(=O)=O)cc2)c1Br ZINC000819257241 660252402 /nfs/dbraw/zinc/25/24/02/660252402.db2.gz UMYKMTZNYJGKHW-MRXNPFEDSA-N 1 0 398.322 2.984 20 0 GFADRO O[C@@H](C[NH2+]C1CCN(c2cccnn2)CC1)c1ccccc1Br ZINC000819263797 660252542 /nfs/dbraw/zinc/25/25/42/660252542.db2.gz GLUSULINKDUWBR-INIZCTEOSA-N 1 0 377.286 2.531 20 0 GFADRO COCCS(=O)(=O)c1ccc(C[NH2+]C[C@H](O)c2ccccc2Cl)cc1 ZINC000819264514 660252719 /nfs/dbraw/zinc/25/27/19/660252719.db2.gz WHRPCZYNJPJNEB-SFHVURJKSA-N 1 0 383.897 2.583 20 0 GFADRO CS(=O)(=O)c1ccc(C[NH2+]C[C@@H](O)c2cc(F)ccc2F)cc1Cl ZINC000819264289 660252785 /nfs/dbraw/zinc/25/27/85/660252785.db2.gz POJIKLHXRBIUPD-OAHLLOKOSA-N 1 0 375.824 2.845 20 0 GFADRO O=C1[C@H]([NH2+]C[C@H](O)c2ccccc2)CCN1c1cccc(Br)c1 ZINC000819266147 660252996 /nfs/dbraw/zinc/25/29/96/660252996.db2.gz FAPGHCHWFSSYSQ-SJORKVTESA-N 1 0 375.266 2.878 20 0 GFADRO Cc1cc(C[NH2+]C[C@H](O)c2ccc(S(C)(=O)=O)cc2)ccc1Br ZINC000819361514 660256872 /nfs/dbraw/zinc/25/68/72/660256872.db2.gz RIUUINYMDDHARZ-KRWDZBQOSA-N 1 0 398.322 2.984 20 0 GFADRO Cc1ccccc1[C@H](O)C[NH2+]CCCNS(=O)(=O)c1ccccc1Cl ZINC000819283526 660253601 /nfs/dbraw/zinc/25/36/01/660253601.db2.gz KSKJZMJDWRXHEN-QGZVFWFLSA-N 1 0 382.913 2.640 20 0 GFADRO O[C@@H](C[NH2+]CCn1cc(Br)cn1)c1ccc(OC(F)(F)F)cc1 ZINC000819308199 660254554 /nfs/dbraw/zinc/25/45/54/660254554.db2.gz OEAKMSAPYZFYQX-ZDUSSCGKSA-N 1 0 394.191 2.867 20 0 GFADRO CS(=O)(=O)c1ccc([C@@H](O)C[NH2+]CCOc2ccc(F)c(Cl)c2)cc1 ZINC000819342285 660255750 /nfs/dbraw/zinc/25/57/50/660255750.db2.gz ZJCWTRXNASLFPJ-KRWDZBQOSA-N 1 0 387.860 2.585 20 0 GFADRO CC(C)(C[NH2+]C[C@H](O)c1ccc(F)c(Br)c1)C1(O)CCOCC1 ZINC000819372766 660257312 /nfs/dbraw/zinc/25/73/12/660257312.db2.gz COGKHQRRLFGOSN-HNNXBMFYSA-N 1 0 390.293 2.779 20 0 GFADRO CCCN1C[C@H](C[NH2+]C[C@](C)(O)c2ccc(Br)cc2F)CC1=O ZINC000819376100 660257317 /nfs/dbraw/zinc/25/73/17/660257317.db2.gz WOLUQFQPWRSEFB-SJCJKPOMSA-N 1 0 387.293 2.644 20 0 GFADRO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)N1Cc2ccc(Br)cc2C1 ZINC000820080466 660280498 /nfs/dbraw/zinc/28/04/98/660280498.db2.gz BVBXLIAVSDKQIU-AWEZNQCLSA-N 1 0 397.361 2.746 20 0 GFADRO Cc1cc(C(=O)N2CC[C@H]3C[N@@H+](C)C[C@H]32)nn1-c1ccccc1Br ZINC000820273058 660287207 /nfs/dbraw/zinc/28/72/07/660287207.db2.gz PHWNTRLMCAHAOD-SUMWQHHRSA-N 1 0 389.297 2.719 20 0 GFADRO C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)c2cc(N)nc(Br)c2)C1 ZINC000820346808 660290259 /nfs/dbraw/zinc/29/02/59/660290259.db2.gz NQLVJOGAXVUKEB-HNNXBMFYSA-N 1 0 389.297 2.773 20 0 GFADRO C[NH+]1CCC(OCC(=O)N2CC[C@@H](Cc3ccc(Br)cc3)C2)CC1 ZINC000820526324 660296290 /nfs/dbraw/zinc/29/62/90/660296290.db2.gz RJIVBYIQLAHNOD-INIZCTEOSA-N 1 0 395.341 2.951 20 0 GFADRO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)c1cc2ccc(Br)cc2c(=O)o1 ZINC000820559350 660297412 /nfs/dbraw/zinc/29/74/12/660297412.db2.gz WLWMSYYVSPJEQI-QMTHXVAHSA-N 1 0 379.254 2.720 20 0 GFADRO CC1CC[NH+](CCNS(=O)(=O)c2cnc(Cl)c(Br)c2)CC1 ZINC000820786039 660305858 /nfs/dbraw/zinc/30/58/58/660305858.db2.gz RVMICVKXYZLZAF-UHFFFAOYSA-N 1 0 396.738 2.508 20 0 GFADRO Cc1nn(C)c(OCC(F)(F)F)c1C[NH2+][C@@H](C(C)C)[C@H](O)C(F)(F)F ZINC000820840995 660307971 /nfs/dbraw/zinc/30/79/71/660307971.db2.gz GEAGDSXHTHTUCO-QWRGUYRKSA-N 1 0 377.329 2.707 20 0 GFADRO CCn1ncc(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1Br ZINC000821124987 660316686 /nfs/dbraw/zinc/31/66/86/660316686.db2.gz JDYKLBSQGVFEIS-IUODEOHRSA-N 1 0 381.318 2.754 20 0 GFADRO Nc1cc(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc(Br)n1 ZINC000821126159 660316772 /nfs/dbraw/zinc/31/67/72/660316772.db2.gz YIYBHOBTJXBUPL-FZMZJTMJSA-N 1 0 379.302 2.515 20 0 GFADRO CC(C)Oc1cc(C[N@H+](CCn2cnc(Br)n2)C2CC2)ccn1 ZINC000821396261 660324393 /nfs/dbraw/zinc/32/43/93/660324393.db2.gz IJDSGUIGRUPTIB-UHFFFAOYSA-N 1 0 380.290 2.887 20 0 GFADRO COc1cc(C[NH+](C)C)ccc1NC(=O)C1(n2cc(Br)cn2)CC1 ZINC000822190677 660341441 /nfs/dbraw/zinc/34/14/41/660341441.db2.gz JSARYOHVODYTDU-UHFFFAOYSA-N 1 0 393.285 2.844 20 0 GFADRO C[C@@H](CNC(=O)c1csc(I)n1)[N@@H+]1CCC[C@H](C)C1 ZINC000822059523 660339797 /nfs/dbraw/zinc/33/97/97/660339797.db2.gz SZUNJFOKVFRCJH-UWVGGRQHSA-N 1 0 393.294 2.598 20 0 GFADRO C[C@@H]1CCC[N@H+](CCNC(=O)[C@]2(C)CC2(Br)Br)C1 ZINC000822103233 660340430 /nfs/dbraw/zinc/34/04/30/660340430.db2.gz RVPKWUXXWYGXKL-PWSUYJOCSA-N 1 0 382.140 2.731 20 0 GFADRO C[N@@H+]1CCC[C@H](CCNC(=O)C[C@H]2C(=O)Nc3ccc(Br)cc32)C1 ZINC000822454957 660345783 /nfs/dbraw/zinc/34/57/83/660345783.db2.gz XTMXQKIZIFVYRY-IUODEOHRSA-N 1 0 394.313 2.723 20 0 GFADRO Cc1cc(NC(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)cnc1Br ZINC000822493645 660346782 /nfs/dbraw/zinc/34/67/82/660346782.db2.gz ZSBBKEZIEUOTTK-AWEZNQCLSA-N 1 0 383.290 2.527 20 0 GFADRO CN(C)c1nc(Cl)c(C(=O)NCC2([NH+]3CCSCC3)CCCC2)s1 ZINC000822500306 660346987 /nfs/dbraw/zinc/34/69/87/660346987.db2.gz NVJKPUMQRUHDHU-UHFFFAOYSA-N 1 0 388.990 2.954 20 0 GFADRO O=C([C@@H](O)c1ccc(Cl)c(Cl)c1)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000822836706 660355449 /nfs/dbraw/zinc/35/54/49/660355449.db2.gz KEWZWMYSUPKHCG-YOEHRIQHSA-N 1 0 387.307 2.740 20 0 GFADRO Cc1cc([C@H]([NH3+])Cc2nc(Cn3cc(Br)cn3)no2)cc(Cl)n1 ZINC000822841061 660355607 /nfs/dbraw/zinc/35/56/07/660355607.db2.gz FYJRDCDBMCOQQA-LLVKDONJSA-N 1 0 397.664 2.676 20 0 GFADRO O=S(=O)(Cc1noc([C@H]2C[C@@]23CC[NH2+]C3)n1)c1cc(Cl)ccc1Cl ZINC000822901218 660357299 /nfs/dbraw/zinc/35/72/99/660357299.db2.gz PGQKLIBKIVTIFY-MEBBXXQBSA-N 1 0 388.276 2.817 20 0 GFADRO COc1cc(Br)c(Cc2noc([C@H]3CC[NH2+][C@H]3C)n2)cc1OC ZINC000822909921 660357697 /nfs/dbraw/zinc/35/76/97/660357697.db2.gz GBUFKBFUPGCAPX-ONGXEEELSA-N 1 0 382.258 2.906 20 0 GFADRO COc1cc(Br)c(Cc2noc([C@@H]3CC[NH2+][C@H]3C)n2)cc1OC ZINC000822909915 660357738 /nfs/dbraw/zinc/35/77/38/660357738.db2.gz GBUFKBFUPGCAPX-GXSJLCMTSA-N 1 0 382.258 2.906 20 0 GFADRO Brc1ccccc1-c1noc(-c2cn([C@@H]3CCC[NH2+]C3)nn2)n1 ZINC000823006487 660359647 /nfs/dbraw/zinc/35/96/47/660359647.db2.gz KHBRGAIMBXXWGM-SNVBAGLBSA-N 1 0 375.230 2.682 20 0 GFADRO Brc1ccc2sc(CCc3nc(N4CC[NH2+]CC4)no3)nc2c1 ZINC000823309486 660368082 /nfs/dbraw/zinc/36/80/82/660368082.db2.gz HAFYVVOTRBKMOJ-UHFFFAOYSA-N 1 0 394.298 2.637 20 0 GFADRO C[NH+](C)C1CCC(NC(=O)C[C@@H]2C(=O)Nc3ccc(Br)cc32)CC1 ZINC000823119098 660362422 /nfs/dbraw/zinc/36/24/22/660362422.db2.gz DWZZQVZNXGEMGX-PIMMBPRGSA-N 1 0 394.313 2.864 20 0 GFADRO Brc1csc(Cc2noc(-c3cn([C@H]4CCC[NH2+]C4)nn3)n2)c1 ZINC000823172910 660363885 /nfs/dbraw/zinc/36/38/85/660363885.db2.gz XCJTWUGOKGHQSC-JTQLQIEISA-N 1 0 395.286 2.667 20 0 GFADRO Cc1ccc(NC(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)nc1Br ZINC000823283407 660367331 /nfs/dbraw/zinc/36/73/31/660367331.db2.gz ZXLJVGBPDYRZPH-CYBMUJFWSA-N 1 0 383.290 2.527 20 0 GFADRO Cc1cnc(Br)c(NC(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)c1 ZINC000823492583 660373694 /nfs/dbraw/zinc/37/36/94/660373694.db2.gz YVCWVEQMQMEAST-ZDUSSCGKSA-N 1 0 385.306 2.727 20 0 GFADRO Cn1nc(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cc1Br ZINC000823753638 660379405 /nfs/dbraw/zinc/37/94/05/660379405.db2.gz ZXEIMPRRJBPRPM-UHFFFAOYSA-N 1 0 377.286 2.708 20 0 GFADRO CC[NH+]1CCN(c2ccc(NC(=O)c3c(Br)cnn3C)cc2)CC1 ZINC000823882489 660382462 /nfs/dbraw/zinc/38/24/62/660382462.db2.gz NRXNMXLGPZYNCM-UHFFFAOYSA-N 1 0 392.301 2.577 20 0 GFADRO C[NH+](C)CCN(Cc1ccccc1)C(=O)c1c(Br)nc2n1CCC2 ZINC000824161226 660386451 /nfs/dbraw/zinc/38/64/51/660386451.db2.gz LDTDVYKFBDZKNG-UHFFFAOYSA-N 1 0 391.313 2.796 20 0 GFADRO O=C1N[C@H]2CC[N@@H+](Cc3ccnc4c(Br)cccc34)C[C@@H]2CO1 ZINC000824332477 660390018 /nfs/dbraw/zinc/39/00/18/660390018.db2.gz MSJDJRHXNZOMEW-DOMZBBRYSA-N 1 0 376.254 2.928 20 0 GFADRO Cc1nc(SCC(C)C)sc1CC(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000824734569 660400235 /nfs/dbraw/zinc/40/02/35/660400235.db2.gz ZQLDTWMPMHGOAN-CABCVRRESA-N 1 0 383.583 2.722 20 0 GFADRO COc1cc(C[NH2+]C[C@@]2(C)CC2(Cl)Cl)cc(Cl)c1OCC(N)=O ZINC000824765725 660401224 /nfs/dbraw/zinc/40/12/24/660401224.db2.gz OXZXLOGLHSHEIL-CQSZACIVSA-N 1 0 381.687 2.886 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)C[C@@H]2C(=O)Nc3ccc(Br)cc32)C1 ZINC000824773307 660401604 /nfs/dbraw/zinc/40/16/04/660401604.db2.gz OJCSKCNSRRMHKG-JSGCOSHPSA-N 1 0 394.313 2.864 20 0 GFADRO CC[C@H](CNC(=O)c1cc(Br)n(C)n1)[N@@H+]1CCc2ccccc2C1 ZINC000824854390 660403559 /nfs/dbraw/zinc/40/35/59/660403559.db2.gz SLAKAFQALCPMKV-OAHLLOKOSA-N 1 0 391.313 2.749 20 0 GFADRO C[C@H]([NH2+]CCS(=O)(=O)C1CCOCC1)[C@H](C)c1nc2ccccc2s1 ZINC000824903407 660404688 /nfs/dbraw/zinc/40/46/88/660404688.db2.gz GFRVFAGBZQWCGE-KBPBESRZSA-N 1 0 382.551 2.972 20 0 GFADRO Cn1nc(Br)cc1C[NH2+][C@@H]1C[C@H](OC(C)(C)C)[C@@H]1n1cccn1 ZINC000825118000 660411228 /nfs/dbraw/zinc/41/12/28/660411228.db2.gz NPACMUHABDGHRJ-VNHYZAJKSA-N 1 0 382.306 2.666 20 0 GFADRO C[C@@](CO)([NH2+]Cc1ccc(OCC(N)=O)cc1)c1cc(Cl)cc(Cl)c1 ZINC000825130017 660412149 /nfs/dbraw/zinc/41/21/49/660412149.db2.gz KKCJBNHNBVBTSM-SFHVURJKSA-N 1 0 383.275 2.855 20 0 GFADRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2c(Br)nc3n2CCC3)C1 ZINC000825393230 660425053 /nfs/dbraw/zinc/42/50/53/660425053.db2.gz CCWFXKFWQGEAAW-GFCCVEGCSA-N 1 0 383.334 2.832 20 0 GFADRO CS(=O)(=O)Nc1cccc(C[NH2+]C[C@H](O)c2ccccc2Br)c1 ZINC000825337275 660421426 /nfs/dbraw/zinc/42/14/26/660421426.db2.gz FRWGCHONPVHBQH-INIZCTEOSA-N 1 0 399.310 2.644 20 0 GFADRO C[C@]([NH3+])(C(=O)NC[C@H]1COc2ccccc2C1)c1ccc(Br)cc1 ZINC000825993635 660447250 /nfs/dbraw/zinc/44/72/50/660447250.db2.gz ARBBLTWABXXFCZ-ORAYPTAESA-N 1 0 389.293 2.991 20 0 GFADRO CN(C[C@H](O)c1cccc(Br)c1)c1nc(N)[nH+]c2c1CCCC2 ZINC000826131421 660450480 /nfs/dbraw/zinc/45/04/80/660450480.db2.gz QBVAREHDUPJNBO-HNNXBMFYSA-N 1 0 377.286 2.870 20 0 GFADRO COc1cc(/C=C/C(=O)NCC[N@@H+]2CC[C@@H](C)C2)cc(Br)c1O ZINC000826722225 660462406 /nfs/dbraw/zinc/46/24/06/660462406.db2.gz OVNPEHCMKNHOCH-AAOUONPWSA-N 1 0 383.286 2.635 20 0 GFADRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)c1csc(I)n1 ZINC000826790443 660464860 /nfs/dbraw/zinc/46/48/60/660464860.db2.gz IAAMXGVIWGQMML-NXEZZACHSA-N 1 0 393.294 2.740 20 0 GFADRO O=C(c1cc(Br)cnc1Br)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000826949301 660472718 /nfs/dbraw/zinc/47/27/18/660472718.db2.gz HUNXVHQPWHXWIC-SNVBAGLBSA-N 1 0 389.091 2.527 20 0 GFADRO C[N@@H+]1CCCC[C@H](CNC(=O)C[C@@H]2C(=O)Nc3ccc(Br)cc32)C1 ZINC000827199085 660483798 /nfs/dbraw/zinc/48/37/98/660483798.db2.gz BZYPMUAUHHXAGH-DOMZBBRYSA-N 1 0 394.313 2.723 20 0 GFADRO CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@]1(C)CC1(Br)Br ZINC000827210638 660484488 /nfs/dbraw/zinc/48/44/88/660484488.db2.gz PVAYVEKJIHSZTJ-JQWIXIFHSA-N 1 0 382.140 2.873 20 0 GFADRO Cc1nc2ccc(Br)cn2c1C(=O)N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000827267802 660486916 /nfs/dbraw/zinc/48/69/16/660486916.db2.gz OQBWLFUCUNOETO-OCCSQVGLSA-N 1 0 377.286 2.571 20 0 GFADRO Cc1nc2ccc(Br)cn2c1C(=O)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000827267801 660486926 /nfs/dbraw/zinc/48/69/26/660486926.db2.gz OQBWLFUCUNOETO-JSGCOSHPSA-N 1 0 377.286 2.571 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc(I)ccc3F)CC[C@H]21 ZINC000827301923 660488135 /nfs/dbraw/zinc/48/81/35/660488135.db2.gz SCXNXLXSSLHBMO-QMTHXVAHSA-N 1 0 388.224 2.597 20 0 GFADRO Cc1ccc(F)c(C(=O)N2CCC([NH+]3CCN(C)CC3)CC2)c1Br ZINC000827440434 660495558 /nfs/dbraw/zinc/49/55/58/660495558.db2.gz YEUBYCUUMVTRBW-UHFFFAOYSA-N 1 0 398.320 2.749 20 0 GFADRO Cc1csc(C(=O)N2CCC([NH+]3CCN(C)CC3)CC2)c1Br ZINC000827439727 660495658 /nfs/dbraw/zinc/49/56/58/660495658.db2.gz IBFFJXAIEHACCP-UHFFFAOYSA-N 1 0 386.359 2.671 20 0 GFADRO C[C@@H](C(=O)N1CCC([NH+]2CCN(C)CC2)CC1)c1ccc(Br)cc1 ZINC000827445239 660495957 /nfs/dbraw/zinc/49/59/57/660495957.db2.gz IWFFDFKLWQFKQB-OAHLLOKOSA-N 1 0 394.357 2.791 20 0 GFADRO Cc1cc(C)c(Br)c(C(=O)N2CCC([NH+]3CCN(C)CC3)CC2)c1 ZINC000827445421 660496015 /nfs/dbraw/zinc/49/60/15/660496015.db2.gz ONYHXKFFWDEYHX-UHFFFAOYSA-N 1 0 394.357 2.918 20 0 GFADRO Cn1ncc(Br)c1CNC(=O)c1ccc(C[NH+]2CCCCC2)o1 ZINC000828028696 660528039 /nfs/dbraw/zinc/52/80/39/660528039.db2.gz YUMDVFWYOGYUJA-UHFFFAOYSA-N 1 0 381.274 2.692 20 0 GFADRO O=C(c1ccc(Br)[nH]c1=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccccc1 ZINC000828205178 660539779 /nfs/dbraw/zinc/53/97/79/660539779.db2.gz XOPZCPVLHGQBPU-KBPBESRZSA-N 1 0 388.265 2.649 20 0 GFADRO C[C@@]1(C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)CC1(Br)Br ZINC000828447932 660548894 /nfs/dbraw/zinc/54/88/94/660548894.db2.gz BDZPNFJWHJVPOV-AAEUAGOBSA-N 1 0 394.151 2.827 20 0 GFADRO CC1([NH+]2CCC2)CCN(C(=O)c2nc(Br)c3ccccn32)CC1 ZINC000829455166 660593181 /nfs/dbraw/zinc/59/31/81/660593181.db2.gz KJGWBXVHCAOQQI-UHFFFAOYSA-N 1 0 377.286 2.797 20 0 GFADRO C[NH+](C)Cc1ccc(NC(=O)c2cc(S(C)(=O)=O)ncc2Cl)cc1F ZINC000829654758 660605407 /nfs/dbraw/zinc/60/54/07/660605407.db2.gz HNOXHBVHURFQCM-UHFFFAOYSA-N 1 0 385.848 2.592 20 0 GFADRO C[NH2+]CCOCCNC(=O)Nc1cc(C)n(-c2ccc(Cl)c(Cl)c2)n1 ZINC000625875953 652374039 /nfs/dbraw/zinc/37/40/39/652374039.db2.gz QFMMDCZRMSJSSZ-UHFFFAOYSA-N 1 0 386.283 2.845 20 0 GFADRO O=C(NC[C@@H]1COCC[NH2+]1)Nc1nnc(-c2cc(Cl)cc(Cl)c2)s1 ZINC000625900551 652375600 /nfs/dbraw/zinc/37/56/00/652375600.db2.gz XROLOUUFUDCOAQ-LLVKDONJSA-N 1 0 388.280 2.622 20 0 GFADRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)[C@@]2(C)CC2(Br)Br)C1 ZINC000829999794 660628904 /nfs/dbraw/zinc/62/89/04/660628904.db2.gz POILMEIUHYLWRM-WCQYABFASA-N 1 0 396.167 2.977 20 0 GFADRO O=C1OCCN1C[C@H]1CC[N@@H+](C[C@H](O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000830096354 660634604 /nfs/dbraw/zinc/63/46/04/660634604.db2.gz YWXVVVBYGMOPFI-STQMWFEESA-N 1 0 389.279 2.507 20 0 GFADRO CN(C)C(=O)O[C@H]1CC[N@H+](C[C@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000830488529 660659081 /nfs/dbraw/zinc/65/90/81/660659081.db2.gz WVKUKJBIFZIXKF-RYUDHWBXSA-N 1 0 377.268 2.506 20 0 GFADRO Cc1cc(Br)cn2cc(CNC(=O)NCCCCCC[NH3+])nc12 ZINC000831150979 660699813 /nfs/dbraw/zinc/69/98/13/660699813.db2.gz QTEYHDYYCJUVMV-UHFFFAOYSA-N 1 0 382.306 2.724 20 0 GFADRO [NH3+][C@H](CC(=O)N[C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1)C1CC1 ZINC000831236081 660705151 /nfs/dbraw/zinc/70/51/51/660705151.db2.gz SQEAEDRATOIDDC-DGCLKSJQSA-N 1 0 376.810 2.576 20 0 GFADRO Cc1cc([C@@H]([NH3+])CC(=O)NCc2cn(C)nc2C(F)(F)F)cc(Cl)n1 ZINC000831431389 660710323 /nfs/dbraw/zinc/71/03/23/660710323.db2.gz HOHVMQRKSJBKFJ-NSHDSACASA-N 1 0 375.782 2.502 20 0 GFADRO [NH3+]CCCCCCNC(=O)N(CCO)Cc1cc(Br)cs1 ZINC000831280176 660707353 /nfs/dbraw/zinc/70/73/53/660707353.db2.gz BXTCFTJNAVQWCQ-UHFFFAOYSA-N 1 0 378.336 2.534 20 0 GFADRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)c1csc(I)n1 ZINC000831454580 660710761 /nfs/dbraw/zinc/71/07/61/660710761.db2.gz RRIYLXODHNGNIZ-SECBINFHSA-N 1 0 393.294 2.550 20 0 GFADRO O=C(N1C[C@@H]2CC[N@@H+](C[C@@H](O)c3cccc(Cl)c3)C[C@@H]2C1)C(F)(F)F ZINC000831572032 660713231 /nfs/dbraw/zinc/71/32/31/660713231.db2.gz RESCNPJZHIOTEL-GZBFAFLISA-N 1 0 376.806 2.716 20 0 GFADRO [NH3+][C@H](CC(=O)NCc1cc(Cl)cc(I)c1)C1CC1 ZINC000831748636 660724491 /nfs/dbraw/zinc/72/44/91/660724491.db2.gz IKOVQQLUYMKYTP-GFCCVEGCSA-N 1 0 378.641 2.688 20 0 GFADRO Cc1nc(SCC(C)C)sc1CC(=O)NC1(CCO)CC[NH+](C)CC1 ZINC000831783826 660726746 /nfs/dbraw/zinc/72/67/46/660726746.db2.gz DHHJYNBZDAPYKS-UHFFFAOYSA-N 1 0 385.599 2.705 20 0 GFADRO COCC[NH+](CCOC)C1CCN(C(=O)C[C@]2(C)CC2(Cl)Cl)CC1 ZINC000831903540 660735434 /nfs/dbraw/zinc/73/54/34/660735434.db2.gz SQOGKCNNOBESNC-MRXNPFEDSA-N 1 0 381.344 2.546 20 0 GFADRO C[NH+](C)C[C@H](NC(=O)c1c(Br)nc2n1CCC2)c1ccc(F)cc1 ZINC000832027169 660747692 /nfs/dbraw/zinc/74/76/92/660747692.db2.gz ZNINHCVIXLZBDG-ZDUSSCGKSA-N 1 0 395.276 2.764 20 0 GFADRO C[C@H](CN1CCOCC1)[NH2+]C[C@@](C)(O)c1ccc(Br)cc1Cl ZINC000834362479 660816336 /nfs/dbraw/zinc/81/63/36/660816336.db2.gz BPADNFQGQJNCRJ-MLGOLLRUSA-N 1 0 391.737 2.620 20 0 GFADRO CCC[C@H](C)NS(=O)(=O)c1cc(C(=O)N[C@@H](C)C[NH3+])c(Cl)cc1Cl ZINC000834628787 660827728 /nfs/dbraw/zinc/82/77/28/660827728.db2.gz DIJGAPSCWJSTJA-UWVGGRQHSA-N 1 0 396.340 2.537 20 0 GFADRO C[N@H+](CC(=O)N1CCC(Cc2nc3c(s2)CCC3)CC1)[C@H]1CCSC1 ZINC000834548773 660824260 /nfs/dbraw/zinc/82/42/60/660824260.db2.gz XSMURVYJSQEREH-HNNXBMFYSA-N 1 0 379.595 2.850 20 0 GFADRO C[C@@H]([NH3+])[C@H](C)NC(=O)c1cnn(-c2ncccc2Cl)c1C(F)(F)Cl ZINC000834821365 660834236 /nfs/dbraw/zinc/83/42/36/660834236.db2.gz OMMXCPUNWDTZJJ-SFYZADRCSA-N 1 0 378.210 2.674 20 0 GFADRO CSC[C@](C)(O)C[NH2+]Cc1nc2c(s1)CN(C(=O)OC(C)(C)C)CC2 ZINC000835040877 660839278 /nfs/dbraw/zinc/83/92/78/660839278.db2.gz SQTDYLIYWFHQFS-QGZVFWFLSA-N 1 0 387.571 2.640 20 0 GFADRO C[C@@H]1CCC[N@@H+]1CCNC(=O)C(=O)Nc1cc(Cl)cc(Br)c1 ZINC000835150947 660842672 /nfs/dbraw/zinc/84/26/72/660842672.db2.gz NJCFSNBXWHYLTK-SNVBAGLBSA-N 1 0 388.693 2.642 20 0 GFADRO C[C@H](CNC(=O)NC[C@H](O)c1ccccc1Br)[N@@H+]1CCC[C@@H](C)C1 ZINC000836296455 660898780 /nfs/dbraw/zinc/89/87/80/660898780.db2.gz REHDMPQHFQEVFR-CPUCHLNUSA-N 1 0 398.345 2.902 20 0 GFADRO CC[N@@H+](Cc1ccc(Cl)s1)C[C@@H](O)CN1C(=O)c2ccccc2C1=O ZINC000025230508 654547112 /nfs/dbraw/zinc/54/71/12/654547112.db2.gz LHZXCPZVYIBCKQ-GFCCVEGCSA-N 1 0 378.881 2.881 20 0 GFADRO C[C@H](C[NH+]1CCCCC1)NC(=O)[C@H](C)NC(=O)c1ccc(Br)cc1 ZINC000027743472 654565409 /nfs/dbraw/zinc/56/54/09/654565409.db2.gz UONVKOJGSUZXKA-KGLIPLIRSA-N 1 0 396.329 2.558 20 0 GFADRO CSCC[C@H]1NC(=S)N(CC(C)(C)[N@@H+]2CCc3ccccc3C2)C1=O ZINC000028961918 654573746 /nfs/dbraw/zinc/57/37/46/654573746.db2.gz XYVKPYXCPAMQQR-MRXNPFEDSA-N 1 0 377.579 2.662 20 0 GFADRO CN(C[C@H](O)c1ccccc1Br)C(=O)CCN(C)c1cc[nH+]cc1 ZINC000837154551 660973615 /nfs/dbraw/zinc/97/36/15/660973615.db2.gz KKRGDXFMFFWTHU-KRWDZBQOSA-N 1 0 392.297 2.862 20 0 GFADRO COc1ccc(Br)cc1C(=O)CCC(=O)NCC(C)(C)[NH+](C)C ZINC000041297471 654625746 /nfs/dbraw/zinc/62/57/46/654625746.db2.gz YHGWYXPHHMKIEU-UHFFFAOYSA-N 1 0 385.302 2.877 20 0 GFADRO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)Nc1ccc2nc(SC)sc2c1 ZINC000041604788 654627911 /nfs/dbraw/zinc/62/79/11/654627911.db2.gz JMDKDJIQALVVLQ-LLVKDONJSA-N 1 0 380.539 2.803 20 0 GFADRO COc1ccc(Br)cc1C[N@H+](C)CCCN1C(=O)NC(C)(C)C1=O ZINC000041625996 654628202 /nfs/dbraw/zinc/62/82/02/654628202.db2.gz OYQGWYXICGVSKG-UHFFFAOYSA-N 1 0 398.301 2.610 20 0 GFADRO COCC[N@H+](C)CCCNC(=O)[C@H](C)Oc1ccc(C)cc1Br ZINC000044521460 654659086 /nfs/dbraw/zinc/65/90/86/654659086.db2.gz RNVLYEIGJWCBBW-AWEZNQCLSA-N 1 0 387.318 2.609 20 0 GFADRO O=C(COc1cccc(Br)c1)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000046048245 654674471 /nfs/dbraw/zinc/67/44/71/654674471.db2.gz WZYSJCPUZJWIOK-KRWDZBQOSA-N 1 0 397.313 2.541 20 0 GFADRO C[C@H]1CCC[N@H+](CCNC(=O)/C=C/c2ccc(I)o2)C1 ZINC000046877543 654687016 /nfs/dbraw/zinc/68/70/16/654687016.db2.gz JIYPLVVWPAVXAG-PZBABLGHSA-N 1 0 388.249 2.746 20 0 GFADRO COc1ccc(Br)c(C(=O)NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000047432678 654694735 /nfs/dbraw/zinc/69/47/35/654694735.db2.gz NRGBKUGGNWBCCU-BETUJISGSA-N 1 0 385.302 2.687 20 0 GFADRO C[NH+]1CCN(c2ccc(NC(=O)c3ccc(Br)cc3)nc2)CC1 ZINC000047523035 654696328 /nfs/dbraw/zinc/69/63/28/654696328.db2.gz MCSMXIPZYIVRGH-UHFFFAOYSA-N 1 0 375.270 2.848 20 0 GFADRO Cc1ccc(NC(=O)C(=O)NCC2([NH+](C)C)CCCC2)c(Br)c1 ZINC000048744498 654712831 /nfs/dbraw/zinc/71/28/31/654712831.db2.gz DVOAVLDQXVOFEX-UHFFFAOYSA-N 1 0 382.302 2.687 20 0 GFADRO CCn1c(SCC(=O)NCC(C)(C)C[NH+](C)C)nnc1-c1cccs1 ZINC000049946204 654716774 /nfs/dbraw/zinc/71/67/74/654716774.db2.gz BKUKRQHGZQBLIS-UHFFFAOYSA-N 1 0 381.571 2.823 20 0 GFADRO O=C(c1c(Br)nc2n1CCCC2)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000837405051 660993764 /nfs/dbraw/zinc/99/37/64/660993764.db2.gz RGRKGUIJFPFTJS-CYBMUJFWSA-N 1 0 381.318 2.682 20 0 GFADRO CC[NH+](CC)CCNC(=O)c1cc(NC(=O)NCCSC)ccc1Cl ZINC000121992047 654727322 /nfs/dbraw/zinc/72/73/22/654727322.db2.gz IBUMOAAQMYIVGL-UHFFFAOYSA-N 1 0 386.949 2.896 20 0 GFADRO Cn1ccnc1CC1CCN(C(=O)C(=O)c2ccc(Br)cc2)CC1 ZINC000122000713 654727955 /nfs/dbraw/zinc/72/79/55/654727955.db2.gz GOYYCWRTDOCKID-UHFFFAOYSA-N 1 0 390.281 2.847 20 0 GFADRO [NH3+][C@@H]1CCCN(S(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 ZINC000122426604 654736526 /nfs/dbraw/zinc/73/65/26/654736526.db2.gz OKBAJYUKEUCWNH-SNVBAGLBSA-N 1 0 376.322 2.836 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000122450855 654737580 /nfs/dbraw/zinc/73/75/80/654737580.db2.gz IDGDPRKCASVGTD-GFCCVEGCSA-N 1 0 396.329 2.853 20 0 GFADRO Cc1cc(C)c(Br)c(C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)c1 ZINC000123033540 654750778 /nfs/dbraw/zinc/75/07/78/654750778.db2.gz ICXSVCKEKLXXHW-AWEZNQCLSA-N 1 0 382.346 2.679 20 0 GFADRO Cc1sc(Br)cc1S(=O)(=O)NCCC1CC[NH+](C)CC1 ZINC000123024966 654750834 /nfs/dbraw/zinc/75/08/34/654750834.db2.gz RZRNNSNQAWTFJO-UHFFFAOYSA-N 1 0 381.361 2.829 20 0 GFADRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3c(Br)nc4n3CCCC4)CC[C@@H]21 ZINC000837476615 661000395 /nfs/dbraw/zinc/00/03/95/661000395.db2.gz OIPAKBQOWLGKMY-STQMWFEESA-N 1 0 381.318 2.538 20 0 GFADRO CC[C@H]([NH2+][C@@H](C)C(=O)N(CC)[C@@H]1CCS(=O)(=O)C1)c1ccc(Cl)cc1 ZINC000123816855 654764626 /nfs/dbraw/zinc/76/46/26/654764626.db2.gz DNBNIHBQYSBJHV-XKQJLSEDSA-N 1 0 386.945 2.805 20 0 GFADRO CC[NH+](CC)[C@@H](CNS(=O)(=O)c1c(C)nn(C)c1Cl)c1ccccc1 ZINC000055218227 654771986 /nfs/dbraw/zinc/77/19/86/654771986.db2.gz VILHGSJSGRJUAM-HNNXBMFYSA-N 1 0 384.933 2.743 20 0 GFADRO C[C@H]1C[C@H](N(C)C(=O)/C=C/c2ccc(I)o2)CC[N@@H+]1C ZINC000124274647 654773413 /nfs/dbraw/zinc/77/34/13/654773413.db2.gz PWZNJGXGUZELEA-GAEWNOSXSA-N 1 0 388.249 2.839 20 0 GFADRO COc1ccc(C(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)c(Br)c1 ZINC000124341675 654774756 /nfs/dbraw/zinc/77/47/56/654774756.db2.gz HETXAKYXDXSZFT-CHWSQXEVSA-N 1 0 385.302 2.687 20 0 GFADRO Cc1sc(C(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc1CS(C)(=O)=O ZINC000124498840 654776593 /nfs/dbraw/zinc/77/65/93/654776593.db2.gz SRGMVYYYUDTVBM-ZIAGYGMSSA-N 1 0 386.583 2.699 20 0 GFADRO CC1(C)CCC[N@H+](CCNC(=O)c2c(Br)nc3n2CCCC3)C1 ZINC000837582871 661006223 /nfs/dbraw/zinc/00/62/23/661006223.db2.gz BPLAUYZMYJAGDH-UHFFFAOYSA-N 1 0 383.334 2.834 20 0 GFADRO COC(=O)c1sc2ccccc2c1S(=O)(=O)N(C)CC[C@H]([NH3+])C(C)C ZINC000124963573 654784779 /nfs/dbraw/zinc/78/47/79/654784779.db2.gz PSONUVVYEUQJBQ-ZDUSSCGKSA-N 1 0 384.523 2.682 20 0 GFADRO Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)[C@H](C)N1CCSCC1 ZINC000125094954 654787723 /nfs/dbraw/zinc/78/77/23/654787723.db2.gz BQJONZLPBQNASJ-INIZCTEOSA-N 1 0 379.595 2.920 20 0 GFADRO C[C@H](NS(=O)(=O)c1ccc(F)cc1Br)C(C)(C)C[NH+](C)C ZINC000125374879 654792538 /nfs/dbraw/zinc/79/25/38/654792538.db2.gz QTYQWLBQDXQBSR-JTQLQIEISA-N 1 0 381.311 2.843 20 0 GFADRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1c(Br)nc2n1CCCC2 ZINC000837653902 661009797 /nfs/dbraw/zinc/00/97/97/661009797.db2.gz QTVUYORAZHLUQF-CHWSQXEVSA-N 1 0 381.318 2.681 20 0 GFADRO O[C@@H](COc1ccc(Cl)cc1Br)CN1CC[NH+](C2CC2)CC1 ZINC000125790307 654802033 /nfs/dbraw/zinc/80/20/33/654802033.db2.gz HEHPOZWWMUGHQG-CQSZACIVSA-N 1 0 389.721 2.622 20 0 GFADRO CC[NH+](CC)CCCNC(=O)NCCC(=O)Nc1ccc(Br)cc1 ZINC000057198120 654802931 /nfs/dbraw/zinc/80/29/31/654802931.db2.gz SJVXCYHSICJWGA-UHFFFAOYSA-N 1 0 399.333 2.809 20 0 GFADRO O=C(NCCOc1cccc(Br)c1)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000057347569 654805776 /nfs/dbraw/zinc/80/57/76/654805776.db2.gz UHQLIQDDWTXJIQ-HZPDHXFCSA-N 1 0 382.302 2.754 20 0 GFADRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)Cc1ccc(Br)c(F)c1 ZINC000126148629 654809002 /nfs/dbraw/zinc/80/90/02/654809002.db2.gz YZNWEMRUSJOSPV-CQSZACIVSA-N 1 0 387.293 2.700 20 0 GFADRO O[C@@H](COc1cc(Cl)ccc1Cl)CN1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000057941856 654812751 /nfs/dbraw/zinc/81/27/51/654812751.db2.gz FNHUXDVUHOSNOW-CVEARBPZSA-N 1 0 389.323 2.530 20 0 GFADRO C[C@H](C(=O)NC[C@H](O)C[NH+]1CCC(C)CC1)c1ccc(Br)cc1 ZINC000126607394 654816247 /nfs/dbraw/zinc/81/62/47/654816247.db2.gz JWWJKINZPCZWIU-YOEHRIQHSA-N 1 0 383.330 2.762 20 0 GFADRO O=S(=O)(c1ccc(F)c(Cl)c1)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000060242119 654827264 /nfs/dbraw/zinc/82/72/64/654827264.db2.gz DKUZXXZUZONWKY-UHFFFAOYSA-N 1 0 390.908 2.602 20 0 GFADRO C[N@@H+]1CC[C@H](CNC(=O)C2(O)CCSCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000127372666 654827980 /nfs/dbraw/zinc/82/79/80/654827980.db2.gz BVBCLCLXQJSTAK-CJNGLKHVSA-N 1 0 386.920 2.846 20 0 GFADRO C[C@@H](CNC(=O)CCS(=O)(=O)c1ccc(Cl)cc1)[N@@H+]1CCCC[C@@H]1C ZINC000060412704 654829296 /nfs/dbraw/zinc/82/92/96/654829296.db2.gz NLUIUYQWTXDOCX-GJZGRUSLSA-N 1 0 386.945 2.883 20 0 GFADRO CC(=O)N[C@@H](CC(=O)NCC[NH+]1CCCCC1)c1ccc(Br)cc1 ZINC000060522356 654831196 /nfs/dbraw/zinc/83/11/96/654831196.db2.gz OINCUMHHOTYJGC-KRWDZBQOSA-N 1 0 396.329 2.619 20 0 GFADRO C[C@H]1C[NH+](CCCNC(=O)NCCc2ccccc2Br)C[C@H](C)O1 ZINC000061020326 654835413 /nfs/dbraw/zinc/83/54/13/654835413.db2.gz IETKLCPOMARSJB-GJZGRUSLSA-N 1 0 398.345 2.790 20 0 GFADRO CC1(C)CC(NC(=O)c2ccc(Cl)c(NS(C)(=O)=O)c2)CC(C)(C)[NH2+]1 ZINC000061620222 654840948 /nfs/dbraw/zinc/84/09/48/654840948.db2.gz VMKNWAUYLVTFOI-UHFFFAOYSA-N 1 0 387.933 2.751 20 0 GFADRO Cc1cccc(N2CCC([NH2+][C@@H](C)Cn3cc(Br)cn3)CC2)n1 ZINC000128155075 654841990 /nfs/dbraw/zinc/84/19/90/654841990.db2.gz OVHPTTYOQJWSSF-AWEZNQCLSA-N 1 0 378.318 2.996 20 0 GFADRO C[C@@]1(CNS(=O)(=O)c2ccc(Br)cc2Cl)CCC[NH2+]C1 ZINC000129189007 654859687 /nfs/dbraw/zinc/85/96/87/654859687.db2.gz WJIPHUBHCULWNN-CYBMUJFWSA-N 1 0 381.723 2.771 20 0 GFADRO COCC[N@@H+]1CCCN(C(=O)[C@H](C)c2ccc(Br)s2)CC1 ZINC000266265142 654867504 /nfs/dbraw/zinc/86/75/04/654867504.db2.gz MFZXKLYWDTYADX-GFCCVEGCSA-N 1 0 375.332 2.795 20 0 GFADRO C[C@@H]([NH2+]C1CCN(S(=O)(=O)C2CCOCC2)CC1)c1ccccc1Cl ZINC000129619338 654868476 /nfs/dbraw/zinc/86/84/76/654868476.db2.gz KPYVMWNMKKGJIE-CQSZACIVSA-N 1 0 386.945 2.964 20 0 GFADRO O=C(NC[C@@H]1CCC[NH2+]C1)c1cc(Cl)ccc1I ZINC000129876923 654875968 /nfs/dbraw/zinc/87/59/68/654875968.db2.gz QAADMWFRIZFIQM-SECBINFHSA-N 1 0 378.641 2.674 20 0 GFADRO Cc1ccc(Br)c(NC(=O)C(=O)N2CCC(CC[NH+](C)C)CC2)c1 ZINC000129892740 654876406 /nfs/dbraw/zinc/87/64/06/654876406.db2.gz CTSOFSSIXVCNPL-UHFFFAOYSA-N 1 0 396.329 2.886 20 0 GFADRO CN(Cc1cc(Br)cs1)C(=O)C[N@@H+]1CCC2(C1)CCOCC2 ZINC000266631548 654887555 /nfs/dbraw/zinc/88/75/55/654887555.db2.gz PWPRXLDAFLCQES-UHFFFAOYSA-N 1 0 387.343 2.972 20 0 GFADRO C#CCOc1ccc(Br)cc1C[NH2+]CCC(=O)Nc1ccccn1 ZINC000065977806 654892171 /nfs/dbraw/zinc/89/21/71/654892171.db2.gz KHVJXHALAZOIFY-UHFFFAOYSA-N 1 0 388.265 2.975 20 0 GFADRO COc1cc(Br)c(C[NH2+]CCC(=O)Nc2ccccn2)cc1OC ZINC000065977843 654892216 /nfs/dbraw/zinc/89/22/16/654892216.db2.gz QSODYHCQTKMCDF-UHFFFAOYSA-N 1 0 394.269 2.980 20 0 GFADRO CCN1CC[NH+](C[C@@H](C)CNC(=S)NCCSc2ccccc2)CC1 ZINC000066007878 654892876 /nfs/dbraw/zinc/89/28/76/654892876.db2.gz DOCWVMPNGVRLJO-KRWDZBQOSA-N 1 0 380.627 2.516 20 0 GFADRO C[C@H](CNS(=O)(=O)c1cc(Br)ccc1F)C[NH+]1CCCC1 ZINC000130900932 654893174 /nfs/dbraw/zinc/89/31/74/654893174.db2.gz SAIGSJQMKJKFQB-LLVKDONJSA-N 1 0 379.295 2.598 20 0 GFADRO O[C@H](C[NH2+]Cc1cnc2ccccn12)COc1ccccc1Br ZINC000130978060 654894881 /nfs/dbraw/zinc/89/48/81/654894881.db2.gz ILXZYHOTRGEQEA-CQSZACIVSA-N 1 0 376.254 2.626 20 0 GFADRO Ic1ccc(CN2CC[NH+](C3CCOCC3)CC2)cc1 ZINC000267011320 654904436 /nfs/dbraw/zinc/90/44/36/654904436.db2.gz HLJMSUMDOACQSH-UHFFFAOYSA-N 1 0 386.277 2.588 20 0 GFADRO O=C(CS(=O)(=O)c1ccc(Cl)cc1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000131413746 654905819 /nfs/dbraw/zinc/90/58/19/654905819.db2.gz CCWOZMQDFPWFRA-MRXNPFEDSA-N 1 0 384.929 2.591 20 0 GFADRO Brc1cc2c(cc1CN1CC[NH+](C3CCOCC3)CC1)OCCO2 ZINC000267070362 654908762 /nfs/dbraw/zinc/90/87/62/654908762.db2.gz VQNROAMOAHHICT-UHFFFAOYSA-N 1 0 397.313 2.517 20 0 GFADRO CC[C@H](CO)[NH+]1CCN(C(=O)CCc2ccc(Br)c(C)c2)CC1 ZINC000131607133 654910927 /nfs/dbraw/zinc/91/09/27/654910927.db2.gz COMYWLFBFAQZNX-MRXNPFEDSA-N 1 0 383.330 2.605 20 0 GFADRO C[NH+](C)[C@@]1(CNC(=O)N(Cc2cccs2)C[C@@H]2CCCO2)CCSC1 ZINC000267135913 654913167 /nfs/dbraw/zinc/91/31/67/654913167.db2.gz DMKJDZSCDGCLLI-MAUKXSAKSA-N 1 0 383.583 2.876 20 0 GFADRO C[NH+](C)[C@@]1(CNC(=O)CSc2ccc(C(F)(F)F)cn2)CCSC1 ZINC000267199625 654916865 /nfs/dbraw/zinc/91/68/65/654916865.db2.gz DPIFFVUWCANGBY-CQSZACIVSA-N 1 0 379.473 2.746 20 0 GFADRO O=S(=O)(/C=C/c1ccc(Br)cc1)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000066911100 654920447 /nfs/dbraw/zinc/92/04/47/654920447.db2.gz OZVHUEKBIAWSAE-IEWAYXNBSA-N 1 0 385.327 2.966 20 0 GFADRO CC[C@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1ccc(NC(C)=O)c(Cl)c1 ZINC000267272980 654921212 /nfs/dbraw/zinc/92/12/12/654921212.db2.gz YTRRVVGITKDOCQ-AWEZNQCLSA-N 1 0 387.933 2.841 20 0 GFADRO CC[N@@H+]1CCCC[C@H]1CNC(=O)N(C)C[C@H](O)c1ccccc1Br ZINC000838426892 661043637 /nfs/dbraw/zinc/04/36/37/661043637.db2.gz IACFIPUCDILHHZ-YOEHRIQHSA-N 1 0 398.345 2.998 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)C(=O)N[C@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000067397840 654937828 /nfs/dbraw/zinc/93/78/28/654937828.db2.gz UBJYSOSKFXBVMK-GXTWGEPZSA-N 1 0 396.329 2.933 20 0 GFADRO CC(=O)N1CSC[C@@H]1C(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000132459679 654938289 /nfs/dbraw/zinc/93/82/89/654938289.db2.gz WIUNZUCMNBEJQS-HZPDHXFCSA-N 1 0 381.567 2.559 20 0 GFADRO CC(=O)NC[C@H]1CCC[N@H+](CCC(=O)Nc2ccc(Br)cc2)C1 ZINC000067413252 654938517 /nfs/dbraw/zinc/93/85/17/654938517.db2.gz KVCCHXDGPHSHKK-CQSZACIVSA-N 1 0 382.302 2.626 20 0 GFADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)c2cccnc2SC(F)(F)F)C1 ZINC000067539866 654940639 /nfs/dbraw/zinc/94/06/39/654940639.db2.gz QBRHRDZWZLZCHN-GFCCVEGCSA-N 1 0 377.432 2.780 20 0 GFADRO C[NH+](C)C1CCN(CCNC(=O)N2CCc3ccc(Br)cc32)CC1 ZINC000267727737 654943921 /nfs/dbraw/zinc/94/39/21/654943921.db2.gz WGJSWQZXMORIGC-UHFFFAOYSA-N 1 0 395.345 2.547 20 0 GFADRO Cc1ccc(NC(=O)C(=O)NC[C@H](C)[NH+]2CCC(C)CC2)cc1Br ZINC000067764145 654944893 /nfs/dbraw/zinc/94/48/93/654944893.db2.gz ZLKPNBWEPFGDSI-AWEZNQCLSA-N 1 0 396.329 2.933 20 0 GFADRO C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)CCn1cncn1 ZINC000067873239 654947114 /nfs/dbraw/zinc/94/71/14/654947114.db2.gz RMCLMIUZPGFKOD-UHFFFAOYSA-N 1 0 384.311 2.956 20 0 GFADRO C[C@](CO)([NH2+]Cc1nnnn1-c1ccccc1Br)C1CCCCC1 ZINC000133017622 654952312 /nfs/dbraw/zinc/95/23/12/654952312.db2.gz DCJOQHXWVXSRDL-QGZVFWFLSA-N 1 0 394.317 2.846 20 0 GFADRO CO[C@H](CNC(=O)NC[C@H](c1ccc(SC)cc1)[NH+](C)C)C(F)(F)F ZINC000838472935 661047082 /nfs/dbraw/zinc/04/70/82/661047082.db2.gz XOIITSJNQJFIJA-ZIAGYGMSSA-N 1 0 379.448 2.888 20 0 GFADRO C[C@@H](CC[NH+](C)C)NC(=O)c1cc(F)c(F)cc1I ZINC000268444319 654971811 /nfs/dbraw/zinc/97/18/11/654971811.db2.gz DNJQWXSQEVDHFL-QMMMGPOBSA-N 1 0 382.192 2.639 20 0 GFADRO CC(C)[NH+]1CCC(O)(CNC(=O)CCc2ccccc2Br)CC1 ZINC000268442257 654971960 /nfs/dbraw/zinc/97/19/60/654971960.db2.gz GKSANFSLWWFQST-UHFFFAOYSA-N 1 0 383.330 2.733 20 0 GFADRO CN(C(=O)NC[C@@H]1CSCCS1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000838511044 661048070 /nfs/dbraw/zinc/04/80/70/661048070.db2.gz OTYOQEILJUXDEN-CYBMUJFWSA-N 1 0 385.521 2.893 20 0 GFADRO C[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccc3cc(Br)ccc3c2)C1 ZINC000268715298 654984138 /nfs/dbraw/zinc/98/41/38/654984138.db2.gz BPSVKJZBWSZMMN-GFCCVEGCSA-N 1 0 390.281 2.609 20 0 GFADRO S=c1oc(-c2cccs2)nn1CN1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000069797014 654986698 /nfs/dbraw/zinc/98/66/98/654986698.db2.gz DORBBXHAXPFFNW-AWEZNQCLSA-N 1 0 380.539 2.936 20 0 GFADRO COc1ccsc1C[NH2+]C1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000268810264 654987633 /nfs/dbraw/zinc/98/76/33/654987633.db2.gz SYFXHFQFGGZTCS-UHFFFAOYSA-N 1 0 380.535 2.841 20 0 GFADRO NC(=O)[C@H]1CCCN1CCC[NH2+][C@@H]1CCCOc2c(Br)cccc21 ZINC000268869275 654989396 /nfs/dbraw/zinc/98/93/96/654989396.db2.gz FVNFKMFFFTZDFX-HZPDHXFCSA-N 1 0 396.329 2.592 20 0 GFADRO NC(=O)[C@@H]1CCCN1CCC[NH2+][C@H]1CCCOc2c(Br)cccc21 ZINC000268869273 654989538 /nfs/dbraw/zinc/98/95/38/654989538.db2.gz FVNFKMFFFTZDFX-HOTGVXAUSA-N 1 0 396.329 2.592 20 0 GFADRO NC(=O)C1(C[NH2+][C@@H]2CCc3c2cc(Cl)cc3Br)CCOCC1 ZINC000134314686 654990598 /nfs/dbraw/zinc/99/05/98/654990598.db2.gz LJJVSYSILOUYLC-CQSZACIVSA-N 1 0 387.705 2.962 20 0 GFADRO CCOC(=O)C1(NC(=O)c2csc(-c3ccsc3)n2)CC[NH+](C)CC1 ZINC000134322073 654990869 /nfs/dbraw/zinc/99/08/69/654990869.db2.gz UQIDBHYPTRZMFX-UHFFFAOYSA-N 1 0 379.507 2.629 20 0 GFADRO COc1c(Br)cc(Cl)cc1S(=O)(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000070120716 654992158 /nfs/dbraw/zinc/99/21/58/654992158.db2.gz VWSZYEKMSREYTK-SNVBAGLBSA-N 1 0 397.722 2.532 20 0 GFADRO CC[C@]1(C(=O)N(C)CC(=O)Nc2ccc(Br)cc2C)CCC[NH2+]1 ZINC000134379081 654992564 /nfs/dbraw/zinc/99/25/64/654992564.db2.gz FIVRNCPXLVLZCC-QGZVFWFLSA-N 1 0 382.302 2.687 20 0 GFADRO CS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)c1 ZINC000071040254 654998762 /nfs/dbraw/zinc/99/87/62/654998762.db2.gz KWOVWDOMZCFUPS-UHFFFAOYSA-N 1 0 376.825 2.577 20 0 GFADRO C[NH2+]CCCC(=O)N1CCC(C(=O)Nc2cccc(Br)c2)CC1 ZINC000269217725 655001809 /nfs/dbraw/zinc/00/18/09/655001809.db2.gz HTGMRFQUIPBUPT-UHFFFAOYSA-N 1 0 382.302 2.626 20 0 GFADRO C[C@@H](NC(=O)c1cc(F)c(F)cc1I)[C@H]1CCC[NH2+]C1 ZINC000269213799 655001833 /nfs/dbraw/zinc/00/18/33/655001833.db2.gz QAXUZRRLLLAJDJ-BDAKNGLRSA-N 1 0 394.203 2.687 20 0 GFADRO O=C(C[C@H]1C[NH2+]CCO1)Nc1nc2ccc(OCC(F)(F)F)cc2s1 ZINC000269213281 655001881 /nfs/dbraw/zinc/00/18/81/655001881.db2.gz CHGYXRPRNQHFSO-JTQLQIEISA-N 1 0 375.372 2.554 20 0 GFADRO C[C@@H](NC(=O)c1cnn(-c2cccc(Br)c2)c1)[C@@H]1CCC[NH2+]C1 ZINC000269219038 655001889 /nfs/dbraw/zinc/00/18/89/655001889.db2.gz RPVPXSTYPWIWRQ-CHWSQXEVSA-N 1 0 377.286 2.753 20 0 GFADRO COc1cc(C[N@H+](C[C@@H](C)O)C(C)C)cc(I)c1OC ZINC000093145260 655017706 /nfs/dbraw/zinc/01/77/06/655017706.db2.gz MGZMSOFZELKHRN-LLVKDONJSA-N 1 0 393.265 2.900 20 0 GFADRO COc1cc(C[N@H+](C)CC(C)(C)O)cc(I)c1OC ZINC000093414694 655019370 /nfs/dbraw/zinc/01/93/70/655019370.db2.gz YVLSJZFHXFLPEJ-UHFFFAOYSA-N 1 0 379.238 2.511 20 0 GFADRO C[N@H+](CCOc1ccccc1Br)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000093791187 655020526 /nfs/dbraw/zinc/02/05/26/655020526.db2.gz VKOWBEOEJIABBK-LBPRGKRZSA-N 1 0 395.219 2.923 20 0 GFADRO C[C@@H]1CCC[C@](CNC(=O)c2cnn3cc(Br)cnc23)([NH+](C)C)C1 ZINC000094036037 655026475 /nfs/dbraw/zinc/02/64/75/655026475.db2.gz MTSIWJPTKUQFEM-PXAZEXFGSA-N 1 0 394.317 2.732 20 0 GFADRO CC[NH+](CC)[C@@H](CNC(=O)c1cnn2cc(Br)cnc12)CC(C)C ZINC000094134142 655027934 /nfs/dbraw/zinc/02/79/34/655027934.db2.gz LPLCNJUNWTWJPG-CQSZACIVSA-N 1 0 396.333 2.978 20 0 GFADRO O=C(NCCC[NH+]1CCC(O)CC1)c1cc2c(cccc2Br)[nH]1 ZINC000136140343 655028099 /nfs/dbraw/zinc/02/80/99/655028099.db2.gz ADSTUCHOAXRBII-UHFFFAOYSA-N 1 0 380.286 2.507 20 0 GFADRO CSCC[C@@H](CO)NC(=O)NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000136360735 655030647 /nfs/dbraw/zinc/03/06/47/655030647.db2.gz BKCCNUWCDVWDGN-HOTGVXAUSA-N 1 0 385.599 2.934 20 0 GFADRO C[NH+](C)CCOc1cc(C(=O)NCc2cc(Br)cs2)ccn1 ZINC000136485086 655032255 /nfs/dbraw/zinc/03/22/55/655032255.db2.gz CPFZEMLJZJSOFT-UHFFFAOYSA-N 1 0 384.299 2.776 20 0 GFADRO O=C(Cc1ccccc1Br)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000097590304 655036491 /nfs/dbraw/zinc/03/64/91/655036491.db2.gz ALORFSSQESYYBG-CQSZACIVSA-N 1 0 381.314 2.609 20 0 GFADRO C[C@@H]1C[NH+](CCCNC(=O)Cc2cc(Br)ccc2F)C[C@@H](C)O1 ZINC000137121234 655038092 /nfs/dbraw/zinc/03/80/92/655038092.db2.gz XQXFFLICDLPKPJ-CHWSQXEVSA-N 1 0 387.293 2.746 20 0 GFADRO CC(C)n1cc(Br)cc1C(=O)Nc1ccc(=O)n(CC[NH+](C)C)c1 ZINC000270255218 655038881 /nfs/dbraw/zinc/03/88/81/655038881.db2.gz QWOOWOJYCIJBAL-UHFFFAOYSA-N 1 0 395.301 2.807 20 0 GFADRO C[NH+]1CCC([C@H]2CCN(C(=O)C(=O)Nc3ccccc3Br)C2)CC1 ZINC000270278883 655039842 /nfs/dbraw/zinc/03/98/42/655039842.db2.gz WFGHORPZFJZKKY-AWEZNQCLSA-N 1 0 394.313 2.578 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)C[NH+]1CCC(C)CC1 ZINC000137483386 655040649 /nfs/dbraw/zinc/04/06/49/655040649.db2.gz KAIFYKXPOWRAFD-UHFFFAOYSA-N 1 0 396.329 2.934 20 0 GFADRO C[N@H+](CCCO)C1CCN(C(=O)COc2c(Cl)cccc2Cl)CC1 ZINC000270354108 655041879 /nfs/dbraw/zinc/04/18/79/655041879.db2.gz HDHNGPXRCHHSDD-UHFFFAOYSA-N 1 0 375.296 2.677 20 0 GFADRO C[N@H+](CCCO)C1CCN(C(=O)COc2ccc(Cl)cc2Cl)CC1 ZINC000270408804 655043558 /nfs/dbraw/zinc/04/35/58/655043558.db2.gz XNAOYQUEVFMKDU-UHFFFAOYSA-N 1 0 375.296 2.677 20 0 GFADRO CC[C@@](C)(CC(=O)OC)[NH2+]CC(=O)N(C)Cc1cc(Br)cs1 ZINC000151595628 655052953 /nfs/dbraw/zinc/05/29/53/655052953.db2.gz IHBHCMISBPKWJL-HNNXBMFYSA-N 1 0 391.331 2.790 20 0 GFADRO CC[C@](C)(CC(=O)OC)[NH2+]CC(=O)Nc1c(F)cc(F)cc1Br ZINC000151766758 655054387 /nfs/dbraw/zinc/05/43/87/655054387.db2.gz TYEGXBRSXWSFQV-OAHLLOKOSA-N 1 0 393.228 2.987 20 0 GFADRO Cc1csc(SCc2ccc(C(=O)NC[C@@](C)(O)C[NH+](C)C)cc2)n1 ZINC000152622065 655060147 /nfs/dbraw/zinc/06/01/47/655060147.db2.gz CLRJMMUGAOWCRA-GOSISDBHSA-N 1 0 379.551 2.786 20 0 GFADRO Cc1nc(C(=O)NCC2CC[NH+](C)CC2)nn1-c1c(Cl)cccc1Cl ZINC000102914835 655063495 /nfs/dbraw/zinc/06/34/95/655063495.db2.gz BNFUCPYEKXQOMV-UHFFFAOYSA-N 1 0 382.295 2.954 20 0 GFADRO C[NH+](C)CCN(Cc1cccc(O)c1)C(=O)c1ccnc(Br)c1 ZINC000153605065 655068455 /nfs/dbraw/zinc/06/84/55/655068455.db2.gz FGRZHWLGLRIZHC-UHFFFAOYSA-N 1 0 378.270 2.754 20 0 GFADRO NC(=O)[C@@H]([NH2+][C@@H]1CCN(c2ccc(Br)cc2)C1)c1ccc(F)cc1 ZINC000103165053 655068517 /nfs/dbraw/zinc/06/85/17/655068517.db2.gz JBUUKFGFJWULLX-WBVHZDCISA-N 1 0 392.272 2.983 20 0 GFADRO C[NH+](C)CCN(C(=O)c1nccn2c(Br)cnc12)C1CCCCC1 ZINC000271205853 655070392 /nfs/dbraw/zinc/07/03/92/655070392.db2.gz AJAOHSZZHJZYHZ-UHFFFAOYSA-N 1 0 394.317 2.828 20 0 GFADRO CC(C)[NH+]1CCC(O)(CNC(=O)C[C@@H](O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000271868313 655097284 /nfs/dbraw/zinc/09/72/84/655097284.db2.gz ZDVDJEUINOGGSP-MRXNPFEDSA-N 1 0 389.323 2.768 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000272240001 655106579 /nfs/dbraw/zinc/10/65/79/655106579.db2.gz KQPZQERISWZTRQ-RBSFLKMASA-N 1 0 384.567 2.547 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)c2ccc(I)cc2Cl)C1 ZINC000272287871 655108042 /nfs/dbraw/zinc/10/80/42/655108042.db2.gz PCLNAYQXFYKZJS-DTWKUNHWSA-N 1 0 378.641 2.754 20 0 GFADRO O=C(c1ccn(-c2cccc(Br)c2)n1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000106767650 655110682 /nfs/dbraw/zinc/11/06/82/655110682.db2.gz AQWVJWCBMSCLQV-MRXNPFEDSA-N 1 0 389.297 2.945 20 0 GFADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)CSCc3cccc(Cl)c3)C2)CC1 ZINC000106800682 655111575 /nfs/dbraw/zinc/11/15/75/655111575.db2.gz XRICWHCSSDWXEA-GOSISDBHSA-N 1 0 381.973 2.812 20 0 GFADRO Cc1ccc(-n2nc(Br)cc2C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)cc1 ZINC000159146190 655112152 /nfs/dbraw/zinc/11/21/52/655112152.db2.gz NFGSLMOUJKDCJQ-OKILXGFUSA-N 1 0 389.297 2.910 20 0 GFADRO Cc1ccc(C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@@H]32)cc1I ZINC000272461141 655113591 /nfs/dbraw/zinc/11/35/91/655113591.db2.gz KJHBVFOEGTXYAF-DOMZBBRYSA-N 1 0 384.261 2.766 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC000106913691 655114823 /nfs/dbraw/zinc/11/48/23/655114823.db2.gz XCPHAIAGTUKYAZ-INIZCTEOSA-N 1 0 384.318 2.789 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)N1C[C@@H](C)[NH2+]C[C@H]1C ZINC000272560193 655116160 /nfs/dbraw/zinc/11/61/60/655116160.db2.gz LQRLRZAMOZDHFI-RBSFLKMASA-N 1 0 384.567 2.560 20 0 GFADRO COC(=O)CC[N@H+](Cc1nc2cc(Br)ccc2[nH]1)C1CCOCC1 ZINC000159919163 655117676 /nfs/dbraw/zinc/11/76/76/655117676.db2.gz HEQAHWPFLQMFBT-UHFFFAOYSA-N 1 0 396.285 2.870 20 0 GFADRO COc1ccc(CNC(=O)N[C@H](C)C2=CC[N@H+](C)CC2)cc1Br ZINC000272704884 655119650 /nfs/dbraw/zinc/11/96/50/655119650.db2.gz GJVJVJLFYWSGDR-GFCCVEGCSA-N 1 0 382.302 2.907 20 0 GFADRO C[C@H]1CCC[N@H+](CCNC(=O)CCn2c(=S)[nH]nc2-c2cccs2)C1 ZINC000107628361 655123098 /nfs/dbraw/zinc/12/30/98/655123098.db2.gz CORSZZHPEGUINJ-ZDUSSCGKSA-N 1 0 379.555 2.907 20 0 GFADRO COc1ccc([C@@H](C)[NH2+]CC2CCN(S(=O)(=O)C(F)F)CC2)cc1C ZINC000272902404 655124701 /nfs/dbraw/zinc/12/47/01/655124701.db2.gz KMFHMFRRYBKZDF-CYBMUJFWSA-N 1 0 376.469 2.919 20 0 GFADRO O=C(NC[C@H]1CC[NH2+]C1)c1ccc(COc2cccc(Br)c2)o1 ZINC000272991271 655127406 /nfs/dbraw/zinc/12/74/06/655127406.db2.gz FOACDKGZAUYGKO-LBPRGKRZSA-N 1 0 379.254 2.960 20 0 GFADRO C[C@@]1([NH2+]CCS(=O)(=O)c2cccc(Br)c2)CCO[C@@H]1C1CC1 ZINC000273049060 655128818 /nfs/dbraw/zinc/12/88/18/655128818.db2.gz KDLRDMDQVLSLTI-HZPDHXFCSA-N 1 0 388.327 2.770 20 0 GFADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2sccc2S(=O)(=O)C(F)F)C1 ZINC000108258915 655129815 /nfs/dbraw/zinc/12/98/15/655129815.db2.gz SKIYLGZYQSWACU-TXEJJXNPSA-N 1 0 394.509 2.842 20 0 GFADRO C[N@@H+]1CCC[C@H](CNC(=O)[C@@]23CCC(=O)N2c2cc(Cl)ccc2S3)C1 ZINC000108336855 655131205 /nfs/dbraw/zinc/13/12/05/655131205.db2.gz GPNCVANOBDKWTA-XIKOKIGWSA-N 1 0 379.913 2.727 20 0 GFADRO C[N@@H+]1CCC[C@H](CNC(=O)c2cnn(-c3ccc(Br)cc3)c2)C1 ZINC000108328969 655131283 /nfs/dbraw/zinc/13/12/83/655131283.db2.gz QGLGVICXAAUKQD-CYBMUJFWSA-N 1 0 377.286 2.706 20 0 GFADRO C[N@@H+]1CCC[C@@H](CNC(=O)c2cnn(-c3cccc(Br)c3)c2)C1 ZINC000108328203 655131363 /nfs/dbraw/zinc/13/13/63/655131363.db2.gz JAKLBXQDVKOCHU-ZDUSSCGKSA-N 1 0 377.286 2.706 20 0 GFADRO COC(=O)N1CCC([NH2+]Cc2cn(-c3ccc(Cl)c(Cl)c3)nn2)CC1 ZINC000273142437 655132121 /nfs/dbraw/zinc/13/21/21/655132121.db2.gz VWNIZELNHOZHRA-UHFFFAOYSA-N 1 0 384.267 2.895 20 0 GFADRO C[N@@H+]1CCC[C@@H](CNC(=O)CNC(=O)c2sc3ccccc3c2Cl)C1 ZINC000108462260 655133197 /nfs/dbraw/zinc/13/31/97/655133197.db2.gz WZHPAOCVJGQGAY-LBPRGKRZSA-N 1 0 379.913 2.743 20 0 GFADRO C[C@@H]([NH2+][C@@H]1CCCC1(C)C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000163033146 655134077 /nfs/dbraw/zinc/13/40/77/655134077.db2.gz IZPXFTHWDGTAQM-CZUORRHYSA-N 1 0 388.555 2.642 20 0 GFADRO O=C(Nc1cccc(I)c1)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000108496366 655134411 /nfs/dbraw/zinc/13/44/11/655134411.db2.gz JKGXQZPOIIMEIN-CQSZACIVSA-N 1 0 385.249 2.897 20 0 GFADRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cnn(C)c1Br ZINC000273267914 655137124 /nfs/dbraw/zinc/13/71/24/655137124.db2.gz USQIAZKZDKXDMP-HNNXBMFYSA-N 1 0 391.313 2.777 20 0 GFADRO CN(Cc1ccccc1Br)C(=O)C[NH+]1CCC(n2cccn2)CC1 ZINC000109007860 655140233 /nfs/dbraw/zinc/14/02/33/655140233.db2.gz SIPKZXCTVHXQJK-UHFFFAOYSA-N 1 0 391.313 2.941 20 0 GFADRO C[C@H](CC[NH+](C)C)NC(=O)c1ncc(Br)cc1Br ZINC000273578457 655148975 /nfs/dbraw/zinc/14/89/75/655148975.db2.gz HCEZXEVZKUKSQO-MRVPVSSYSA-N 1 0 379.096 2.677 20 0 GFADRO CS[C@H]1CN(C(=O)Cc2coc(-c3cccs3)n2)C[C@@H]1[NH+]1CCCC1 ZINC000273448785 655143806 /nfs/dbraw/zinc/14/38/06/655143806.db2.gz CEWMUVGPUWFUID-HOCLYGCPSA-N 1 0 377.535 2.984 20 0 GFADRO O[C@H](COc1cc(Cl)ccc1Cl)C[N@@H+]1CCC[C@H](C2OCCO2)C1 ZINC000171139982 655149148 /nfs/dbraw/zinc/14/91/48/655149148.db2.gz MQSFIDDVMYKBOS-JSGCOSHPSA-N 1 0 376.280 2.818 20 0 GFADRO Cc1cc(NC(=O)C[N@@H+]2CCC[C@@H](C3OCCO3)C2)ccc1Br ZINC000171375548 655151205 /nfs/dbraw/zinc/15/12/05/655151205.db2.gz HYHTUADDHDFTKG-CYBMUJFWSA-N 1 0 383.286 2.781 20 0 GFADRO CC(C)(Cc1ccc(Br)cc1)[NH2+]Cc1cc(=O)n2nccc2[nH]1 ZINC000109818706 655152591 /nfs/dbraw/zinc/15/25/91/655152591.db2.gz UBUIAQFBQWWNBF-UHFFFAOYSA-N 1 0 375.270 2.896 20 0 GFADRO O[C@H](C[N@@H+]1CCCC[C@@H]1CN1CCOCC1)c1cccc(Br)c1 ZINC000109820449 655153001 /nfs/dbraw/zinc/15/30/01/655153001.db2.gz SKVFDKTXNMZFKD-QZTJIDSGSA-N 1 0 383.330 2.669 20 0 GFADRO COc1ccc(C[NH2+][C@@H](CO)Cc2ccc(F)cc2)c(Br)c1O ZINC000273731243 655156347 /nfs/dbraw/zinc/15/63/47/655156347.db2.gz OBLSFQDQVVJIPB-CQSZACIVSA-N 1 0 384.245 2.996 20 0 GFADRO CN(CCCN1CC[NH+](C)CC1)C(=O)C(C)(C)c1cccc(Br)c1 ZINC000110866433 655160775 /nfs/dbraw/zinc/16/07/75/655160775.db2.gz UAHLFBOFLQHRKT-UHFFFAOYSA-N 1 0 396.373 2.823 20 0 GFADRO Cc1nc(-c2ccc(Br)cc2)nn1CN1CC[NH+](C2CC2)CC1 ZINC000111163378 655165874 /nfs/dbraw/zinc/16/58/74/655165874.db2.gz WHAFDLMOERPIDB-UHFFFAOYSA-N 1 0 376.302 2.754 20 0 GFADRO CN1CC[NH+]([C@@H]2CCCCN(C(=O)c3ccc(Br)cc3)C2)CC1 ZINC000173275833 655166610 /nfs/dbraw/zinc/16/66/10/655166610.db2.gz BBYRDRNZMGNKRB-QGZVFWFLSA-N 1 0 380.330 2.691 20 0 GFADRO C[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)NCC1CC[NH+](CCO)CC1 ZINC000111848861 655178060 /nfs/dbraw/zinc/17/80/60/655178060.db2.gz KUFMZPOXSSYQFF-ZDUSSCGKSA-N 1 0 388.339 2.928 20 0 GFADRO CC[C@H](CO)[NH+]1CCN(CC(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)CC1 ZINC000173748084 655179420 /nfs/dbraw/zinc/17/94/20/655179420.db2.gz LURPEDMHYGRDPD-DZGCQCFKSA-N 1 0 388.339 2.559 20 0 GFADRO C[NH+](C)CCn1ccc(NC(=O)NC[C@@H](O)c2ccc(Cl)cc2Cl)n1 ZINC000173915627 655185080 /nfs/dbraw/zinc/18/50/80/655185080.db2.gz YFDQIOPGBQNDGD-CQSZACIVSA-N 1 0 386.283 2.607 20 0 GFADRO C[NH+](C)CCn1ccc(NC(=O)NCCc2ccc(F)c(Br)c2)n1 ZINC000173926706 655185965 /nfs/dbraw/zinc/18/59/65/655185965.db2.gz OHTOONGXKOURKI-UHFFFAOYSA-N 1 0 398.280 2.711 20 0 GFADRO CCC[N@H+](C)C[C@H]1CCN(S(=O)(=O)c2ccc(Br)s2)C1 ZINC000173947756 655187517 /nfs/dbraw/zinc/18/75/17/655187517.db2.gz DKJYFNBHHKGVIG-LLVKDONJSA-N 1 0 381.361 2.863 20 0 GFADRO O=S(=O)(Cc1ccc(Br)cc1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000174006485 655189971 /nfs/dbraw/zinc/18/99/71/655189971.db2.gz AWTKGJYDBJAHBW-INIZCTEOSA-N 1 0 387.343 2.839 20 0 GFADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000112921962 655199681 /nfs/dbraw/zinc/19/96/81/655199681.db2.gz WLFBCJWRDXBLFT-AWEZNQCLSA-N 1 0 388.339 2.762 20 0 GFADRO CCS(=O)(=O)c1c(Cl)cccc1C[NH2+][C@@H]1CCC[C@H](C(=O)N(C)C)C1 ZINC000274752143 655200010 /nfs/dbraw/zinc/20/00/10/655200010.db2.gz FGSPLDOJFMAPFM-DZGCQCFKSA-N 1 0 386.945 2.870 20 0 GFADRO Ic1ccc2ncnc(N3CC[C@H]([NH+]4CCCC4)C3)c2c1 ZINC000174723217 655206519 /nfs/dbraw/zinc/20/65/19/655206519.db2.gz UJQYOVPGUOSOJT-ZDUSSCGKSA-N 1 0 394.260 2.909 20 0 GFADRO C[C@@H]1SCC[N@H+](CCC(=O)Nc2sc3c(c2C(N)=O)CCCC3)[C@H]1C ZINC000839497586 661087666 /nfs/dbraw/zinc/08/76/66/661087666.db2.gz OFZBCNRMPGXVAS-RYUDHWBXSA-N 1 0 381.567 2.880 20 0 GFADRO C[NH+](C)C[C@@H]1CCN(C(=O)c2[nH]nc(-c3ccccc3)c2Br)C1 ZINC000113453903 655210688 /nfs/dbraw/zinc/21/06/88/655210688.db2.gz ZAXQDSXUEVKCTL-LBPRGKRZSA-N 1 0 377.286 2.863 20 0 GFADRO CS[C@@H]1CN(C[C@H](O)COCc2ccccc2Cl)C[C@H]1[NH+]1CCCC1 ZINC000275038504 655213136 /nfs/dbraw/zinc/21/31/36/655213136.db2.gz GPTSNWIOYHXCHC-QXAKKESOSA-N 1 0 384.973 2.729 20 0 GFADRO O=C(NCC(F)(F)F)[C@@H]1CC[N@@H+](Cc2cc(O)ccc2Br)C1 ZINC000275117431 655218000 /nfs/dbraw/zinc/21/80/00/655218000.db2.gz GBOYMMISHSULNZ-SECBINFHSA-N 1 0 381.192 2.655 20 0 GFADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)c1c[nH]nc1-c1ccc(Cl)s1 ZINC000275125736 655218030 /nfs/dbraw/zinc/21/80/30/655218030.db2.gz MMYUWVIQKZUSOQ-GFCCVEGCSA-N 1 0 381.933 2.547 20 0 GFADRO C[NH+](C)CCCOC1CCN(S(=O)(=O)c2ccc(F)cc2Cl)CC1 ZINC000175304276 655219070 /nfs/dbraw/zinc/21/90/70/655219070.db2.gz NJCREBXSOCDYEO-UHFFFAOYSA-N 1 0 378.897 2.601 20 0 GFADRO C[NH+](C)CCCOC1CCN(S(=O)(=O)c2cc(F)ccc2Cl)CC1 ZINC000175303564 655219117 /nfs/dbraw/zinc/21/91/17/655219117.db2.gz MESOGVWGJSTMTH-UHFFFAOYSA-N 1 0 378.897 2.601 20 0 GFADRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)C1(c2ccc(Br)cc2)CCOCC1 ZINC000275158316 655220296 /nfs/dbraw/zinc/22/02/96/655220296.db2.gz NLZFLWBWSVRILC-XJKSGUPXSA-N 1 0 381.314 2.612 20 0 GFADRO C[C@H]1CCCC[N@@H+]1CCNC(=O)c1cc(=O)[nH]c2c(Br)cccc12 ZINC000175519381 655222065 /nfs/dbraw/zinc/22/20/65/655222065.db2.gz ZLZDOFSXTZIPID-LBPRGKRZSA-N 1 0 392.297 2.895 20 0 GFADRO C[C@H](CNC(=O)CCSc1nc2ccccc2s1)N1CC[NH+](C)CC1 ZINC000114385623 655223095 /nfs/dbraw/zinc/22/30/95/655223095.db2.gz FPYZJAFIMSJJAZ-CQSZACIVSA-N 1 0 378.567 2.531 20 0 GFADRO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)CN1CC[C@@H](C[NH+](C)C)C1 ZINC000114479966 655224838 /nfs/dbraw/zinc/22/48/38/655224838.db2.gz HDHPNFCDZOPDAE-NSHDSACASA-N 1 0 388.295 2.602 20 0 GFADRO CC(C)(C)OC(=O)CS(=O)(=O)CC[NH2+]C(C)(C)c1ccc(F)c(F)c1 ZINC000839541728 661090837 /nfs/dbraw/zinc/09/08/37/661090837.db2.gz CJSWCFMWSWAUQC-UHFFFAOYSA-N 1 0 377.453 2.546 20 0 GFADRO Cc1c(Br)cccc1C(=O)N1CCCC[C@@H]([NH+]2CCN(C)CC2)C1 ZINC000175989551 655231523 /nfs/dbraw/zinc/23/15/23/655231523.db2.gz VQVWRGKJWMLEMC-MRXNPFEDSA-N 1 0 394.357 3.000 20 0 GFADRO C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)NCCc1ccc(Cl)s1 ZINC000176038976 655232738 /nfs/dbraw/zinc/23/27/38/655232738.db2.gz GRUFCSFZCFHUFW-UHFFFAOYSA-N 1 0 380.901 2.926 20 0 GFADRO CC(C)[NH+]1CCN(c2ccc(C(=O)NC[C@H]3CSCCS3)cc2)CC1 ZINC000176062243 655233097 /nfs/dbraw/zinc/23/30/97/655233097.db2.gz PNXBDVFABRQSFX-SFHVURJKSA-N 1 0 379.595 2.795 20 0 GFADRO CCn1cc(Br)cc1C(=O)NCCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000176131017 655236229 /nfs/dbraw/zinc/23/62/29/655236229.db2.gz MJYIUIZGLHGFNH-ZIAGYGMSSA-N 1 0 386.334 2.890 20 0 GFADRO C[C@@H](NC(=O)c1cccs1)C(=O)NC1CC[NH+](Cc2ccsc2)CC1 ZINC000115444898 655237680 /nfs/dbraw/zinc/23/76/80/655237680.db2.gz TUQJYPCPKRHADT-CYBMUJFWSA-N 1 0 377.535 2.709 20 0 GFADRO C[C@@H](CNC(=O)c1cc(=O)[nH]c2c(Br)cccc12)[N@H+](C)C1CC1 ZINC000176161959 655237861 /nfs/dbraw/zinc/23/78/61/655237861.db2.gz MZHMTOJWUACZLK-JTQLQIEISA-N 1 0 378.270 2.503 20 0 GFADRO CN(C[C@H]1CCC[N@H+](C)C1)S(=O)(=O)c1ccc(OC(F)F)c(Cl)c1 ZINC000115585850 655239542 /nfs/dbraw/zinc/23/95/42/655239542.db2.gz XSGLGHLCIQGMBR-NSHDSACASA-N 1 0 382.860 2.904 20 0 GFADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)c2c(F)cc(Br)cc2F)C1 ZINC000176200808 655239666 /nfs/dbraw/zinc/23/96/66/655239666.db2.gz NMNWXUDROAWDKK-GFCCVEGCSA-N 1 0 391.256 2.814 20 0 GFADRO COCC[N@H+](C)CCCNC(=O)NCC1(c2cccc(Br)c2)CC1 ZINC000115801692 655242303 /nfs/dbraw/zinc/24/23/03/655242303.db2.gz DKUZSWZZGIJYMH-UHFFFAOYSA-N 1 0 398.345 2.748 20 0 GFADRO Cn1cncc1[C@@H]1C[C@H]([NH2+]Cc2cnc3ccc(Br)cn23)CCO1 ZINC000275620697 655244268 /nfs/dbraw/zinc/24/42/68/655244268.db2.gz ROIGYDIGYZWJHG-CJNGLKHVSA-N 1 0 390.285 2.840 20 0 GFADRO CC[NH+]1CCN(CCCNC(=O)/C=C/c2csc(Br)c2)CC1 ZINC000116173557 655245673 /nfs/dbraw/zinc/24/56/73/655245673.db2.gz IYISZYSQNOIHLJ-SNAWJCMRSA-N 1 0 386.359 2.668 20 0 GFADRO CC(C)C[C@H](CNC(=O)c1cc(=O)[nH]c2c(Br)cccc12)[NH+](C)C ZINC000176482874 655247100 /nfs/dbraw/zinc/24/71/00/655247100.db2.gz AZPSHHJDTMUGOV-GFCCVEGCSA-N 1 0 394.313 2.997 20 0 GFADRO C[NH+](C)C1CCN(C(=O)C(=O)Nc2ccc(Cl)c(Br)c2)CC1 ZINC000176586161 655250083 /nfs/dbraw/zinc/25/00/83/655250083.db2.gz XNLPBYXOYXKUNN-UHFFFAOYSA-N 1 0 388.693 2.594 20 0 GFADRO CN(C)C(=O)c1ccc(C[NH2+]CCC(=O)Nc2ccc(Br)cc2)[nH]1 ZINC000176751016 655254892 /nfs/dbraw/zinc/25/48/92/655254892.db2.gz IAZCTQFWKVEUNZ-UHFFFAOYSA-N 1 0 393.285 2.597 20 0 GFADRO CN1CCN(C)[C@@H](C[NH2+][C@@H](c2cccc(Br)c2)C2CCOCC2)C1 ZINC000276140120 655264218 /nfs/dbraw/zinc/26/42/18/655264218.db2.gz NGRPFOWKZNWZSR-RBUKOAKNSA-N 1 0 396.373 2.752 20 0 GFADRO C[N@@H+]1CCCN(C(=O)c2nn(-c3ccc(F)cc3)cc2Br)CC1 ZINC000117742693 655267687 /nfs/dbraw/zinc/26/76/87/655267687.db2.gz SYRRFJOOHPQFJT-UHFFFAOYSA-N 1 0 381.249 2.552 20 0 GFADRO Clc1cc(C[NH2+]CCc2cscn2)ccc1OCCN1CCOCC1 ZINC000177105628 655268714 /nfs/dbraw/zinc/26/87/14/655268714.db2.gz CEVKBCAEUDZMOJ-UHFFFAOYSA-N 1 0 381.929 2.840 20 0 GFADRO C[C@H]1C[C@H](NC(=O)c2cc(Br)c3c(c2)OCCO3)C[N@@H+]1C1CC1 ZINC000177120675 655269246 /nfs/dbraw/zinc/26/92/46/655269246.db2.gz KJGOUAXOZWJAAO-JQWIXIFHSA-N 1 0 381.270 2.575 20 0 GFADRO C[N@H+](CCCO)C1CCN(CC[S@@](=O)c2cc(Cl)ccc2Cl)CC1 ZINC000117884188 655269316 /nfs/dbraw/zinc/26/93/16/655269316.db2.gz IPQZCLHDYMLUKY-DEOSSOPVSA-N 1 0 393.380 2.880 20 0 GFADRO CCCN(CCC[NH+](C)C)C(=O)c1ccc(Br)cc1-n1cncn1 ZINC000276384945 655273552 /nfs/dbraw/zinc/27/35/52/655273552.db2.gz OVSHULXJLRXABJ-UHFFFAOYSA-N 1 0 394.317 2.834 20 0 GFADRO O=C(CCN1CC[NH+](C2CCOCC2)CC1)Nc1cccc(Br)c1 ZINC000177500375 655278180 /nfs/dbraw/zinc/27/81/80/655278180.db2.gz ANDIDYXBYYAZRT-UHFFFAOYSA-N 1 0 396.329 2.574 20 0 GFADRO Cc1cc(Br)ccc1CNC(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000177504322 655278471 /nfs/dbraw/zinc/27/84/71/655278471.db2.gz JEUMLLXIAQMRFF-UHFFFAOYSA-N 1 0 396.329 2.764 20 0 GFADRO C[NH+](C)[C@H]1CCCN(C(=O)C(=O)Nc2ccccc2SC(F)(F)F)C1 ZINC000177531058 655279905 /nfs/dbraw/zinc/27/99/05/655279905.db2.gz SBRIDDXJQZUKRV-NSHDSACASA-N 1 0 375.416 2.790 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)CCNC(=O)c2ccc(Br)cc2)C1 ZINC000177574786 655281973 /nfs/dbraw/zinc/28/19/73/655281973.db2.gz AYJDJSKTHQTQHJ-JKSUJKDBSA-N 1 0 396.329 2.558 20 0 GFADRO C[C@@H](NC(=O)CN(C)C[C@@H]1CCC[N@H+](C)C1)c1ccc(Br)cc1 ZINC000118843276 655282858 /nfs/dbraw/zinc/28/28/58/655282858.db2.gz XCTUXMJTASSTEU-HUUCEWRRSA-N 1 0 382.346 2.900 20 0 GFADRO Brc1cc2c(cc1C[N@@H+]1CCC[C@@H](Cn3ccnn3)C1)OCO2 ZINC000118992322 655285713 /nfs/dbraw/zinc/28/57/13/655285713.db2.gz YXXMPHBACFNDAB-GFCCVEGCSA-N 1 0 379.258 2.682 20 0 GFADRO C[C@@H](NC(=O)Cc1ccc(I)cc1)C1=CC[N@H+](C)CC1 ZINC000276860400 655290893 /nfs/dbraw/zinc/29/08/93/655290893.db2.gz FWXMRPBJBNYTDP-GFCCVEGCSA-N 1 0 384.261 2.600 20 0 GFADRO C[C@@H]1CC[N@H+](CCC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2Cl)[C@@H]1C ZINC000177913932 655291157 /nfs/dbraw/zinc/29/11/57/655291157.db2.gz VYLUSNDFOOIESJ-CHWSQXEVSA-N 1 0 387.933 2.649 20 0 GFADRO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)C(=O)Nc1ccc(Cl)nc1 ZINC000119284967 655296628 /nfs/dbraw/zinc/29/66/28/655296628.db2.gz VXSQBXINQFODAW-CYBMUJFWSA-N 1 0 378.885 2.688 20 0 GFADRO CN(CC[N@H+](C)C1CC1)C(=O)c1nc(Br)ccc1Br ZINC000276996578 655297325 /nfs/dbraw/zinc/29/73/25/655297325.db2.gz FVOFJSNRBXSQIZ-UHFFFAOYSA-N 1 0 391.107 2.773 20 0 GFADRO C[C@@H]([NH2+][C@H](C)C1CCCC1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000178227786 655299943 /nfs/dbraw/zinc/29/99/43/655299943.db2.gz RAECMAOGIMRJRV-ZIAGYGMSSA-N 1 0 388.555 2.642 20 0 GFADRO CS(=O)(=O)c1ccc(C[NH2+]C2CCN(c3nccs3)CC2)cc1Cl ZINC000277052915 655300537 /nfs/dbraw/zinc/30/05/37/655300537.db2.gz HGWDHXRMBVNAMS-UHFFFAOYSA-N 1 0 385.942 2.959 20 0 GFADRO COc1cc(OC)c([C@H](C)[NH2+]CC2CCN(S(C)(=O)=O)CC2)cc1Cl ZINC000178265554 655301038 /nfs/dbraw/zinc/30/10/38/655301038.db2.gz PMLJQJTXBLIVSX-LBPRGKRZSA-N 1 0 390.933 2.679 20 0 GFADRO C[NH+](C)[C@@H]1CCCN(C(=O)Cc2cccc(I)c2)CC1 ZINC000277131456 655304739 /nfs/dbraw/zinc/30/47/39/655304739.db2.gz GMCGMNKWBAAKBY-OAHLLOKOSA-N 1 0 386.277 2.776 20 0 GFADRO C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CCCN1CCOC1=O ZINC000178591379 655305363 /nfs/dbraw/zinc/30/53/63/655305363.db2.gz OSLWHMVXHGJPHV-LBPRGKRZSA-N 1 0 384.274 2.598 20 0 GFADRO C[NH+](C)C1(C(=O)N2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)CCC1 ZINC000119590676 655308105 /nfs/dbraw/zinc/30/81/05/655308105.db2.gz SQUJPXIQKHPAGT-UHFFFAOYSA-N 1 0 384.307 2.762 20 0 GFADRO C[C@@H](CC[NH+](C)C)NC(=O)c1nc(Br)ccc1Br ZINC000277276574 655310833 /nfs/dbraw/zinc/31/08/33/655310833.db2.gz PDMYNQURTZXVCZ-QMMMGPOBSA-N 1 0 379.096 2.677 20 0 GFADRO NS(=O)(=O)c1ccc(CC[NH2+][C@@H]2CCc3cc(Br)ccc32)cc1 ZINC000119718513 655312315 /nfs/dbraw/zinc/31/23/15/655312315.db2.gz AXDWCMBZNJPNQJ-QGZVFWFLSA-N 1 0 395.322 2.916 20 0 GFADRO CCC[N@H+](Cc1cc(Br)cc(C)c1O)[C@H]1CCS(=O)(=O)C1 ZINC000179573987 655314840 /nfs/dbraw/zinc/31/48/40/655314840.db2.gz PZJHGLPSHAHMNQ-AWEZNQCLSA-N 1 0 376.316 2.862 20 0 GFADRO COC(=O)c1c(Br)ccc(NC(=O)NC2CC[NH+](C)CC2)c1C ZINC000277369313 655315366 /nfs/dbraw/zinc/31/53/66/655315366.db2.gz ZGNPWRDOFOPOJQ-UHFFFAOYSA-N 1 0 384.274 2.760 20 0 GFADRO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)C1(c2ccc(Br)cc2)CCOCC1 ZINC000277460700 655320507 /nfs/dbraw/zinc/32/05/07/655320507.db2.gz IHWNYTJVDHRJEY-XJKSGUPXSA-N 1 0 381.314 2.754 20 0 GFADRO COCCN(Cc1cc(Br)cc(C(F)(F)F)c1)[C@H](C)C(N)=O ZINC000119931855 655321755 /nfs/dbraw/zinc/32/17/55/655321755.db2.gz CPCNSKOLTQVUKD-SECBINFHSA-N 1 0 383.208 2.790 20 0 GFADRO COc1ccc(O)c(C[NH2+]CCNC(=O)c2ccc(Br)cc2)c1 ZINC000180427081 655326577 /nfs/dbraw/zinc/32/65/77/655326577.db2.gz VIKGQWOYAWZTQW-UHFFFAOYSA-N 1 0 379.254 2.683 20 0 GFADRO CC(C)C[NH+]1CCN(CN2CC[C@@H](c3cccc(Br)c3)C2=O)CC1 ZINC000839953246 661120212 /nfs/dbraw/zinc/12/02/12/661120212.db2.gz PFGUWGOLUSPPDE-SFHVURJKSA-N 1 0 394.357 2.996 20 0 GFADRO CC(C)C[N@@H+]1CCC[C@H](CNS(=O)(=O)c2c(Cl)nc3ccccn32)C1 ZINC000120180611 655330556 /nfs/dbraw/zinc/33/05/56/655330556.db2.gz VZZQCPYOSZJEQI-CQSZACIVSA-N 1 0 384.933 2.634 20 0 GFADRO O=C(Nc1ccc(F)cc1Br)C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000120436984 655335856 /nfs/dbraw/zinc/33/58/56/655335856.db2.gz XEYGMICLRUZQGS-UHFFFAOYSA-N 1 0 398.276 2.614 20 0 GFADRO O=C(Nc1ccc(F)cc1Br)C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000120583019 655339685 /nfs/dbraw/zinc/33/96/85/655339685.db2.gz SSMRGAVGVJQQFI-UHFFFAOYSA-N 1 0 398.276 2.614 20 0 GFADRO C[C@@H]([NH2+]C[C@@H]1CCCN(S(C)(=O)=O)C1)c1cccc(OC(F)(F)F)c1 ZINC000181903620 655341087 /nfs/dbraw/zinc/34/10/87/655341087.db2.gz MGYPEGKAOWBUSY-OLZOCXBDSA-N 1 0 380.432 2.907 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)C(=O)NCc1c(F)cccc1Cl)c1cccs1 ZINC000284272260 655341311 /nfs/dbraw/zinc/34/13/11/655341311.db2.gz HESQGCMBBRJZQH-CQSZACIVSA-N 1 0 383.876 2.576 20 0 GFADRO CCO[C@H]1C[C@H]([NH2+]CC2CCN(S(=O)(=O)C(F)F)CC2)C1(CC)CC ZINC000181953186 655341706 /nfs/dbraw/zinc/34/17/06/655341706.db2.gz HRUWNJWLLAHSHW-GJZGRUSLSA-N 1 0 382.517 2.824 20 0 GFADRO CC[NH+]1CCN([C@@H]2CCN(Cc3ccc(OC)cc3Br)C2)CC1 ZINC000289248550 655344913 /nfs/dbraw/zinc/34/49/13/655344913.db2.gz CDJOPASMPDYDJG-MRXNPFEDSA-N 1 0 382.346 2.670 20 0 GFADRO Cc1ccc(C(=O)N2CCC[C@]3(CC[NH2+]C3)C2)cc1I ZINC000289276178 655345260 /nfs/dbraw/zinc/34/52/60/655345260.db2.gz PPTMRXVRYPOTJU-MRXNPFEDSA-N 1 0 384.261 2.815 20 0 GFADRO CCOc1c(Br)cc(CN2CC[NH+](CCOC)CC2)cc1OC ZINC000120894394 655346230 /nfs/dbraw/zinc/34/62/30/655346230.db2.gz YYNBZNGHEVBFNN-UHFFFAOYSA-N 1 0 387.318 2.620 20 0 GFADRO CN(CCC[NH+](C)C)C(=O)C(=O)Nc1ccc2cc(Br)ccc2c1 ZINC000121118105 655347748 /nfs/dbraw/zinc/34/77/48/655347748.db2.gz PKIKFFCJAOGSKU-UHFFFAOYSA-N 1 0 392.297 2.951 20 0 GFADRO CCOc1nn(CN2CCC(CCC[NH+]3CCOCC3)CC2)c(=S)s1 ZINC000183519477 655351905 /nfs/dbraw/zinc/35/19/05/655351905.db2.gz ZMQXNLXYIAJJDA-UHFFFAOYSA-N 1 0 386.587 2.855 20 0 GFADRO CC[NH+]1CCN(CCCNC(=O)[C@H](C)c2cccc(Br)c2)CC1 ZINC000292533132 655352248 /nfs/dbraw/zinc/35/22/48/655352248.db2.gz HVGJIVKWKLSCLM-OAHLLOKOSA-N 1 0 382.346 2.696 20 0 GFADRO CN(Cc1nn(C)cc1Br)C1CC[NH+](CCc2ccccn2)CC1 ZINC000292620017 655352700 /nfs/dbraw/zinc/35/27/00/655352700.db2.gz MTCYDOABDJZCSK-UHFFFAOYSA-N 1 0 392.345 2.717 20 0 GFADRO C[N@H+](CCCn1ccnc1)CN1CC[C@H](c2cccc(Br)c2)C1=O ZINC000840024475 661125238 /nfs/dbraw/zinc/12/52/38/661125238.db2.gz BRAQTILHVIKOTR-QGZVFWFLSA-N 1 0 391.313 2.941 20 0 GFADRO C[C@H](CNC(=O)N[C@H]1CCCc2sc(Cl)cc21)C[NH+]1CCN(C)CC1 ZINC000292911651 655356772 /nfs/dbraw/zinc/35/67/72/655356772.db2.gz HIPGWLCXXNKWHN-HIFRSBDPSA-N 1 0 384.977 2.962 20 0 GFADRO O=S(=O)(NC1CC[NH+](C2CC2)CC1)c1cccc(OC(F)(F)F)c1F ZINC000292934317 655357412 /nfs/dbraw/zinc/35/74/12/655357412.db2.gz IVMBEIADKBSSNZ-UHFFFAOYSA-N 1 0 382.379 2.629 20 0 GFADRO O=C1[C@@H](c2cccc(Br)c2)CCN1C[N@@H+]1CC[C@]2(CCOC2)C1 ZINC000840027291 661125506 /nfs/dbraw/zinc/12/55/06/661125506.db2.gz YEHOVMBDTRDBJM-AEFFLSMTSA-N 1 0 379.298 2.835 20 0 GFADRO CC[C@@H]1[C@@H](C)CC[N@@H+]1CN1C(=O)C(=O)N(c2ccc(Br)cc2)C1=O ZINC000184977123 655361470 /nfs/dbraw/zinc/36/14/70/655361470.db2.gz RRLRBHNEBIDLQT-SMDDNHRTSA-N 1 0 394.269 2.822 20 0 GFADRO COc1ccc(CCC(=O)Nc2ccnn2CC[NH+](C)C)cc1Br ZINC000294092837 655364848 /nfs/dbraw/zinc/36/48/48/655364848.db2.gz NZSUUAGEIUMWDV-UHFFFAOYSA-N 1 0 395.301 2.787 20 0 GFADRO COCCOC1(C[NH2+][C@H](C)c2cc(Br)ncc2F)CCOCC1 ZINC000296300295 655368511 /nfs/dbraw/zinc/36/85/11/655368511.db2.gz FXBYJNWFQCCMPR-GFCCVEGCSA-N 1 0 391.281 2.846 20 0 GFADRO COC(=O)N1CCC([C@@H](C)[NH2+]C[C@H](O)c2cccc(Br)c2)CC1 ZINC000186392652 655369240 /nfs/dbraw/zinc/36/92/40/655369240.db2.gz DUBZXUSQJZUPQC-WBMJQRKESA-N 1 0 385.302 2.939 20 0 GFADRO COC(=O)N1CCC([C@H](C)[NH2+]CC(=O)Nc2ccc(Br)cc2)CC1 ZINC000186381310 655369285 /nfs/dbraw/zinc/36/92/85/655369285.db2.gz XRSXERZNTWTREQ-LBPRGKRZSA-N 1 0 398.301 2.844 20 0 GFADRO C[C@@H]1[C@H]([NH3+])CCCN1C(=O)CCC[S@](=O)c1ccc(Br)cc1 ZINC000297313277 655369608 /nfs/dbraw/zinc/36/96/08/655369608.db2.gz GCQSRCXEJJWJPH-SIMDFCGZSA-N 1 0 387.343 2.675 20 0 GFADRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)CCOc1ccc(Cl)cc1Br ZINC000186723759 655371158 /nfs/dbraw/zinc/37/11/58/655371158.db2.gz GCZUBHOKRGZQRN-ZWNOBZJWSA-N 1 0 375.694 2.986 20 0 GFADRO C[N@@H+]1CC[C@@]2(CCN(Cn3nc4ccc(Br)cn4c3=S)C2)C1 ZINC000840076556 661129492 /nfs/dbraw/zinc/12/94/92/661129492.db2.gz PBABGMVFDYXZKO-OAHLLOKOSA-N 1 0 382.331 2.613 20 0 GFADRO CN(C[C@H](O)c1cccc(Br)c1)C(=O)C1CC[NH+](C2CC2)CC1 ZINC000298192452 655372900 /nfs/dbraw/zinc/37/29/00/655372900.db2.gz FMDHPFVOVHIELX-KRWDZBQOSA-N 1 0 381.314 2.815 20 0 GFADRO O=S(=O)(NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc(Cl)nc1 ZINC000311058921 655379280 /nfs/dbraw/zinc/37/92/80/655379280.db2.gz WLWICVVFNIWGLC-INIZCTEOSA-N 1 0 379.913 2.926 20 0 GFADRO CS(=O)(=O)c1ccc([C@H](O)C[NH2+]Cc2ccccc2Br)cc1 ZINC000314596049 655380450 /nfs/dbraw/zinc/38/04/50/655380450.db2.gz BXIZOXVOHMAWBF-MRXNPFEDSA-N 1 0 384.295 2.676 20 0 GFADRO C[N@@H+]1CCC[C@]2(CCN(Cn3c4cc(Br)ccc4oc3=O)C2)C1 ZINC000840087447 661130904 /nfs/dbraw/zinc/13/09/04/661130904.db2.gz SLTKMZQNXQGAHA-KRWDZBQOSA-N 1 0 380.286 2.732 20 0 GFADRO Cc1ccc(-n2nc(Br)cc2C(=O)N2CC[NH+]3CCC2CC3)cc1 ZINC000188635367 655381082 /nfs/dbraw/zinc/38/10/82/655381082.db2.gz RVXAUNNTLCSAIK-UHFFFAOYSA-N 1 0 389.297 2.863 20 0 GFADRO FC(F)(F)c1nn(CN2CC[NH+](CC3CCOCC3)CC2)c(=S)s1 ZINC000188674364 655381406 /nfs/dbraw/zinc/38/14/06/655381406.db2.gz WCERLMJKSBJSHL-UHFFFAOYSA-N 1 0 382.477 2.695 20 0 GFADRO CCN(CCC[NH+](C)C)C(=O)CN1C(=S)N=NC1c1ccc(Cl)cc1 ZINC000188888140 655382577 /nfs/dbraw/zinc/38/25/77/655382577.db2.gz FDVVCGMNUNFGPL-UHFFFAOYSA-N 1 0 381.933 2.687 20 0 GFADRO O=C(Nc1cnn(C2CC[NH2+]CC2)c1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000325450128 655384666 /nfs/dbraw/zinc/38/46/66/655384666.db2.gz XIKSIYXBJWZLIP-UHFFFAOYSA-N 1 0 394.229 2.731 20 0 GFADRO O=C(c1nn(-c2ccc(F)cc2)cc1Br)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000333804028 655388104 /nfs/dbraw/zinc/38/81/04/655388104.db2.gz IGUSEJJOTWWBHC-KRWDZBQOSA-N 1 0 393.260 2.742 20 0 GFADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)Oc1ccc(Cl)c(F)c1 ZINC000189778310 655388241 /nfs/dbraw/zinc/38/82/41/655388241.db2.gz ULPZBTCEFKVMKT-UHFFFAOYSA-N 1 0 375.853 2.622 20 0 GFADRO O=C1N[C@]2(CCSC2)C(=O)N1C[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000349230832 655388759 /nfs/dbraw/zinc/38/87/59/655388759.db2.gz QICDAQZRETVZKJ-YJBOKZPZSA-N 1 0 379.913 2.904 20 0 GFADRO C[NH+](C)C1(CN2C(=O)N[C@@H](c3ccc(Br)cc3)C2=O)CCCC1 ZINC000349283951 655388883 /nfs/dbraw/zinc/38/88/83/655388883.db2.gz KRJYRWCOHHQOCV-AWEZNQCLSA-N 1 0 380.286 2.916 20 0 GFADRO O=C(/C=C/c1c(Cl)nc2sccn12)N1CC[NH+]([C@H]2CCSC2)CC1 ZINC000365862120 655395817 /nfs/dbraw/zinc/39/58/17/655395817.db2.gz DXSWMPLOKBOJDR-ISUDXETCSA-N 1 0 382.942 2.712 20 0 GFADRO C[NH+]1CCC(CC(=O)N[C@@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)CC1 ZINC000366196952 655399826 /nfs/dbraw/zinc/39/98/26/655399826.db2.gz BQFCHPZBVYNXHT-OAHLLOKOSA-N 1 0 384.307 2.947 20 0 GFADRO CC(C)(O)C[N@@H+]1CCCN(C(=O)[C@@H]2C[C@@H]2c2ccc(Br)cc2)CC1 ZINC000366686503 655400694 /nfs/dbraw/zinc/40/06/94/655400694.db2.gz MFDPJMRKSKOKQE-IAGOWNOFSA-N 1 0 395.341 2.858 20 0 GFADRO Cc1ccc([C@H](CNC(=O)c2cc(Br)nn2C)[NH+]2CCCC2)o1 ZINC000192014768 655401896 /nfs/dbraw/zinc/40/18/96/655401896.db2.gz KQWZISQGFYIQOM-ZDUSSCGKSA-N 1 0 381.274 2.651 20 0 GFADRO CCN1CC[C@H]([NH2+]C[C@@H](C)CS(C)(=O)=O)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000374767225 655402090 /nfs/dbraw/zinc/40/20/90/655402090.db2.gz NRQLLZAWQUBJLW-PJQXDXOGSA-N 1 0 378.460 2.510 20 0 GFADRO COc1ccc(Br)cc1CN(C)C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000418345949 655405720 /nfs/dbraw/zinc/40/57/20/655405720.db2.gz LYWUBJPHOHAZMB-CYBMUJFWSA-N 1 0 384.318 2.989 20 0 GFADRO O=C(NCC[C@H]1CCC[NH2+]1)C(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000419940107 655407427 /nfs/dbraw/zinc/40/74/27/655407427.db2.gz STQFQWFETBEABO-CJNGLKHVSA-N 1 0 384.307 2.915 20 0 GFADRO C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)C(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000423083813 655407804 /nfs/dbraw/zinc/40/78/04/655407804.db2.gz HBUPIGRVXMTNHO-KZULUSFZSA-N 1 0 384.307 2.867 20 0 GFADRO C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)C(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000423083814 655407811 /nfs/dbraw/zinc/40/78/11/655407811.db2.gz HBUPIGRVXMTNHO-SGTLLEGYSA-N 1 0 384.307 2.867 20 0 GFADRO [NH3+]C[C@@H]1CCN(S(=O)(=O)c2ccc(Br)c(Cl)c2Cl)C1 ZINC000193252710 655409027 /nfs/dbraw/zinc/40/90/27/655409027.db2.gz DVZLXRMDBVXPLM-ZETCQYMHSA-N 1 0 388.114 2.725 20 0 GFADRO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000193293026 655409286 /nfs/dbraw/zinc/40/92/86/655409286.db2.gz GDWMZLKKYYFDFZ-GZBFAFLISA-N 1 0 390.933 2.550 20 0 GFADRO CC[C@@H](Cc1ccccc1Br)NC(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC000446273750 655409812 /nfs/dbraw/zinc/40/98/12/655409812.db2.gz CJOIZHFJEXDFHB-LBPRGKRZSA-N 1 0 377.286 2.569 20 0 GFADRO CCNC(=O)C(C)(C)[NH2+]Cc1cc(Br)cc(Br)c1N ZINC000453610702 655412088 /nfs/dbraw/zinc/41/20/88/655412088.db2.gz YCPKACWAYWRGQT-UHFFFAOYSA-N 1 0 393.123 2.798 20 0 GFADRO CC[NH+](CC)[C@H]1CCN(S(=O)(=O)c2sc(C)cc2Br)C1 ZINC000462665008 655413862 /nfs/dbraw/zinc/41/38/62/655413862.db2.gz QWYMTAHUPJSWKE-NSHDSACASA-N 1 0 381.361 2.924 20 0 GFADRO CS(=O)(=O)N[C@@H]1CCCC[C@H]1C[NH2+]Cc1ccc(Br)c(F)c1 ZINC000512896225 655418008 /nfs/dbraw/zinc/41/80/08/655418008.db2.gz TYPNCCQZVZATIB-SWLSCSKDSA-N 1 0 393.322 2.786 20 0 GFADRO Cc1nc(C)c(S(=O)(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)s1 ZINC000530956490 655420874 /nfs/dbraw/zinc/42/08/74/655420874.db2.gz DRYSWXFPLLIBDJ-QGZVFWFLSA-N 1 0 379.551 2.603 20 0 GFADRO CC(C)OC(=O)[C@H](C)C[NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000566063106 655424538 /nfs/dbraw/zinc/42/45/38/655424538.db2.gz CSIHAZWSVLXUJU-BXUZGUMPSA-N 1 0 392.265 2.505 20 0 GFADRO CC(=O)c1cc(S(=O)(=O)N[C@@](C)(C[NH3+])CC(C)C)ccc1Br ZINC000236722778 655424934 /nfs/dbraw/zinc/42/49/34/655424934.db2.gz DBJYGRMDDFMPMG-OAHLLOKOSA-N 1 0 391.331 2.694 20 0 GFADRO CN(C(=O)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1)C1CCC([NH3+])CC1 ZINC000237228994 655425951 /nfs/dbraw/zinc/42/59/51/655425951.db2.gz IRRDSGBBHBVUSA-LRVUVFPRSA-N 1 0 394.313 2.530 20 0 GFADRO C[C@@]1(n2cc(C[NH2+][C@H]3CCc4sc(Cl)cc43)cn2)CCS(=O)(=O)C1 ZINC000574242218 655427090 /nfs/dbraw/zinc/42/70/90/655427090.db2.gz AVYMJRKXFMNOTF-XJKSGUPXSA-N 1 0 385.942 2.909 20 0 GFADRO [NH3+]Cc1cn([C@H]2CCCN(Cc3cn4cc(Cl)cc(Cl)c4n3)C2)nn1 ZINC000574280311 655427999 /nfs/dbraw/zinc/42/79/99/655427999.db2.gz DJABRAWGQVSXNI-AWEZNQCLSA-N 1 0 380.283 2.528 20 0 GFADRO O=C(NCc1cccc(Cl)c1Cl)C(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000574293048 655428322 /nfs/dbraw/zinc/42/83/22/655428322.db2.gz WQOMUXJRQWZLAP-UHFFFAOYSA-N 1 0 384.307 2.602 20 0 GFADRO C[C@H]1C[C@H](NC(=O)C(=O)N(C)Cc2c(Cl)cccc2Cl)C[N@@H+]1C1CC1 ZINC000574318238 655428915 /nfs/dbraw/zinc/42/89/15/655428915.db2.gz YHCAPYXZORYQSY-RYUDHWBXSA-N 1 0 384.307 2.693 20 0 GFADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[C@@H](O)c2cc(Cl)cc(Cl)c2)C1 ZINC000246541278 655430242 /nfs/dbraw/zinc/43/02/42/655430242.db2.gz VYDPPZSRSNQMOM-DLBZAZTESA-N 1 0 389.323 2.890 20 0 GFADRO C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)[C@H]1CCN(c2cc(Cl)ccc2Cl)C1=O ZINC000574811194 655431218 /nfs/dbraw/zinc/43/12/18/655431218.db2.gz FQRMLCHWHQVTHM-QQHRNGFRSA-N 1 0 384.307 2.849 20 0 GFADRO O=c1ccn(C[N@@H+]2CCS[C@@H]3COCC[C@H]32)c2c(Br)cccc12 ZINC000247275640 655431449 /nfs/dbraw/zinc/43/14/49/655431449.db2.gz SLACIAIOOVDYRD-GDBMZVCRSA-N 1 0 395.322 2.928 20 0 GFADRO C[C@@](O)(C[NH2+]C[C@H](CO)Cc1ccccc1OC(F)(F)F)C(F)(F)F ZINC000574989360 655434144 /nfs/dbraw/zinc/43/41/44/655434144.db2.gz OLDKYBJXUJOOEL-ZWNOBZJWSA-N 1 0 375.309 2.639 20 0 GFADRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2Cn2c(=O)oc3cc(F)c(Br)cc32)C1 ZINC000253354569 655435326 /nfs/dbraw/zinc/43/53/26/655435326.db2.gz MEWDZJOJTLAFKJ-SMDDNHRTSA-N 1 0 398.276 2.870 20 0 GFADRO CC(=O)N1CCC[C@H](C[NH2+]C[C@@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000575117277 655435917 /nfs/dbraw/zinc/43/59/17/655435917.db2.gz DCVQMJAJUUAWEN-UKRRQHHQSA-N 1 0 375.296 2.581 20 0 GFADRO C[C@@](O)(C[NH2+]CCOc1ccc(I)cc1)C(F)(F)F ZINC000575798016 655437251 /nfs/dbraw/zinc/43/72/51/655437251.db2.gz NTSBGWKDBHOPJE-LLVKDONJSA-N 1 0 389.155 2.573 20 0 GFADRO CCCC[N@H+](C)C[C@@H](C)NS(=O)(=O)c1cc(F)ccc1Br ZINC000575908541 655439709 /nfs/dbraw/zinc/43/97/09/655439709.db2.gz CJQPNICKMNRFKD-LLVKDONJSA-N 1 0 381.311 2.987 20 0 GFADRO CC(C)C[NH+]1CCN(C(=O)/C=C/c2ccc(I)o2)CC1 ZINC000255950411 655441168 /nfs/dbraw/zinc/44/11/68/655441168.db2.gz AFZLESYQOZUEKN-GQCTYLIASA-N 1 0 388.249 2.698 20 0 GFADRO O=C(CN1CCN([C@@H]2CC[NH2+]C2)CC1)Nc1c(Cl)cc(Cl)cc1Cl ZINC000261647007 655441557 /nfs/dbraw/zinc/44/15/57/655441557.db2.gz JDTRANCTTIFQKN-GFCCVEGCSA-N 1 0 391.730 2.565 20 0 GFADRO Brc1cc(CN2CC[NH2+]C[C@H]2c2ccncc2)cc2c1OCO2 ZINC000262038061 655443527 /nfs/dbraw/zinc/44/35/27/655443527.db2.gz OUPUWRYVBMKCJH-HNNXBMFYSA-N 1 0 376.254 2.719 20 0 GFADRO CC(C)[N@@H+]1CC[C@H](N(C)CN2C(=O)N[C@](C)(c3ccc(Cl)s3)C2=O)C1 ZINC000840153407 661141563 /nfs/dbraw/zinc/14/15/63/661141563.db2.gz QOVNYNSNFVUOCY-YVEFUNNKSA-N 1 0 384.933 2.541 20 0 GFADRO COC(=O)c1cc(Br)cc(C(=O)NC[C@@H]2CC[N@@H+](C(C)C)C2)c1 ZINC000576323320 655445567 /nfs/dbraw/zinc/44/55/67/655445567.db2.gz APDCYPGJTLKVIV-LBPRGKRZSA-N 1 0 383.286 2.696 20 0 GFADRO C[C@@H]([NH3+])[C@@H](C)NS(=O)(=O)c1cc(Br)c(Cl)cc1Cl ZINC000576465231 655447877 /nfs/dbraw/zinc/44/78/77/655447877.db2.gz YZYPPEFQHMOWGX-PHDIDXHHSA-N 1 0 376.103 2.770 20 0 GFADRO CC[NH+]1CCC(CNC(=O)c2cccc(F)c2I)CC1 ZINC000576541134 655448766 /nfs/dbraw/zinc/44/87/66/655448766.db2.gz ZAQLMOKFTLDZLN-UHFFFAOYSA-N 1 0 390.240 2.892 20 0 GFADRO Cc1c(C(=O)N[C@H]2C[NH2+]CCC2(F)F)cnn1-c1ccc(Br)cc1 ZINC000576582865 655449452 /nfs/dbraw/zinc/44/94/52/655449452.db2.gz KWVYRYOPLMLIQB-AWEZNQCLSA-N 1 0 399.239 2.670 20 0 GFADRO CC(C)[N@H+](CCOCCO)CC(=O)N(C)Cc1ccc(Cl)c(Cl)c1 ZINC000576719914 655451571 /nfs/dbraw/zinc/45/15/71/655451571.db2.gz UHPCPXZWJWIYBO-UHFFFAOYSA-N 1 0 377.312 2.671 20 0 GFADRO C[NH+](C)C[C@H]1CCCN1C(=O)CSc1nncn1-c1cccc(Cl)c1 ZINC000263924283 655454056 /nfs/dbraw/zinc/45/40/56/655454056.db2.gz QNCXELHIVZIGHY-OAHLLOKOSA-N 1 0 379.917 2.565 20 0 GFADRO O=C(NCC1=CC[NH2+]CC1)Nc1cc(Br)ccc1-n1cccn1 ZINC000576959705 655455359 /nfs/dbraw/zinc/45/53/59/655455359.db2.gz FFCUZOVEIMQREC-UHFFFAOYSA-N 1 0 376.258 2.676 20 0 GFADRO C[NH+](C)CCc1ccc(NC(=O)C(=O)NCCc2ccc(Cl)s2)cc1 ZINC000263987723 655455655 /nfs/dbraw/zinc/45/56/55/655455655.db2.gz TWBMYILMJKLTGP-UHFFFAOYSA-N 1 0 379.913 2.803 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)Nc2ccc(-c3ccc(Br)s3)nn2)CC[NH2+]1 ZINC000577080029 655457314 /nfs/dbraw/zinc/45/73/14/655457314.db2.gz XSJRKBBZKSRXJL-ZJUUUORDSA-N 1 0 396.314 3.230 20 0 GFADRO CC(C)(C)N1C[C@@H]([NH2+]CCC(=O)Nc2ccc(Br)cc2)CC1=O ZINC000577503085 655461111 /nfs/dbraw/zinc/46/11/11/655461111.db2.gz LPRPCPYKIUZGQQ-AWEZNQCLSA-N 1 0 382.302 2.767 20 0 GFADRO C[C@@]1(c2ccc(Br)cc2)CC(=O)N(CCC2CC[NH2+]CC2)C1=O ZINC000577501200 655461176 /nfs/dbraw/zinc/46/11/76/655461176.db2.gz XGOIOPYZPBZBNR-SFHVURJKSA-N 1 0 379.298 2.855 20 0 GFADRO O=C(CC[NH2+]C[C@H](CO)Cc1ccco1)Nc1cccc(Br)c1 ZINC000577633653 655463350 /nfs/dbraw/zinc/46/33/50/655463350.db2.gz RSGIHUHJAADUQR-CYBMUJFWSA-N 1 0 381.270 2.812 20 0 GFADRO CN(C(=O)CCOC1C[NH2+]C1)[C@@H]1CCSc2ccc(Br)cc21 ZINC000577721012 655465663 /nfs/dbraw/zinc/46/56/63/655465663.db2.gz SOCWSRLFVZPPIR-CQSZACIVSA-N 1 0 385.327 2.823 20 0 GFADRO CC(C)[C@H]1CN(C(=O)c2cccc(F)c2I)CC[N@@H+]1C ZINC000577807444 655467427 /nfs/dbraw/zinc/46/74/27/655467427.db2.gz FZEDBKHMVSTPRY-CYBMUJFWSA-N 1 0 390.240 2.843 20 0 GFADRO CN(CCC(=O)N(CCO)Cc1cccc(Br)c1)c1cc[nH+]cc1 ZINC000577924598 655469389 /nfs/dbraw/zinc/46/93/89/655469389.db2.gz QABVOSKGQKRKMJ-UHFFFAOYSA-N 1 0 392.297 2.692 20 0 GFADRO Cc1sc2nc(CS[C@@H](C)C(=O)N[C@H](C)CCC[NH3+])[nH]c(=O)c2c1C ZINC000578011856 655471053 /nfs/dbraw/zinc/47/10/53/655471053.db2.gz CJDONVFHIUIZGA-SKDRFNHKSA-N 1 0 382.555 2.879 20 0 GFADRO C[C@@H](Oc1ccc(Br)cc1)C(=O)N1CCNC[C@@H]1c1ccncc1 ZINC000578126792 655473077 /nfs/dbraw/zinc/47/30/77/655473077.db2.gz KQBDKNZFPOUGHH-CXAGYDPISA-N 1 0 390.281 2.785 20 0 GFADRO CS(=O)(=O)N1CC[C@@H]([NH2+][C@H]2CCc3c2cc(Br)cc3Cl)C1 ZINC000578136785 655473411 /nfs/dbraw/zinc/47/34/11/655473411.db2.gz CODPMFSKPHNRNK-YGRLFVJLSA-N 1 0 393.734 2.713 20 0 GFADRO O[C@H](C[NH2+][C@H]1CCO[C@@]2(CCOC2)C1)COc1ccc(Cl)cc1Cl ZINC000578187118 655473743 /nfs/dbraw/zinc/47/37/43/655473743.db2.gz PJXRQZFCRWWOOD-VBQJREDUSA-N 1 0 376.280 2.661 20 0 GFADRO C[C@H](CNC(=O)N[C@H](C)c1ncc(Br)cn1)[NH+]1CCC(C)CC1 ZINC000578299821 655476097 /nfs/dbraw/zinc/47/60/97/655476097.db2.gz IVLMWBLQDRVYSS-CHWSQXEVSA-N 1 0 384.322 2.720 20 0 GFADRO O=C(Nc1cnn(-c2ncc(Cl)cc2Cl)c1)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000578422990 655478538 /nfs/dbraw/zinc/47/85/38/655478538.db2.gz TYOPYDXYTZDKLF-GHMZBOCLSA-N 1 0 381.267 2.647 20 0 GFADRO CO[C@H](C)[C@@H](C)[NH2+][C@H](C)C(=O)Nc1cccc(I)c1 ZINC000578542989 655481351 /nfs/dbraw/zinc/48/13/51/655481351.db2.gz LTGXAIYHUWLAEO-GMTAPVOTSA-N 1 0 376.238 2.631 20 0 GFADRO CC(=O)N[C@@H](CC(=O)N1CCCC[C@@H]1CC[NH3+])c1ccc(Br)cc1 ZINC000578628774 655483338 /nfs/dbraw/zinc/48/33/38/655483338.db2.gz SDMBPNMFMKWJJI-SJORKVTESA-N 1 0 396.329 2.746 20 0 GFADRO C[NH+](C)C1CCN(CCNc2ccc(Br)c(C(F)(F)F)n2)CC1 ZINC000578659029 655483981 /nfs/dbraw/zinc/48/39/81/655483981.db2.gz ZQZKTDPZWTVFSN-UHFFFAOYSA-N 1 0 395.267 3.301 20 0 GFADRO Cc1ccc(SCC(F)(F)F)c(NC(=O)C(=O)NC[C@H](C)[NH+](C)C)c1 ZINC000265583116 655486366 /nfs/dbraw/zinc/48/63/66/655486366.db2.gz XPYWYJWAJQIIRX-NSHDSACASA-N 1 0 377.432 2.654 20 0 GFADRO C[C@@H]1[C@H](C)[S@@](=O)CCN1C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000265596237 655486764 /nfs/dbraw/zinc/48/67/64/655486764.db2.gz LEBQQYFCHSYBJP-CXGZALCVSA-N 1 0 383.583 2.511 20 0 GFADRO COCC[NH2+]C1CCN(C(=O)NC/C=C/c2ccc(Br)cc2)CC1 ZINC000578898614 655488773 /nfs/dbraw/zinc/48/87/73/655488773.db2.gz BPBRMJSDSJJALO-NSCUHMNNSA-N 1 0 396.329 2.872 20 0 GFADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)Nc1cc(F)ccc1SCC(F)F ZINC000265730902 655489398 /nfs/dbraw/zinc/48/93/98/655489398.db2.gz SFFDPNDKLSIAPL-GFCCVEGCSA-N 1 0 376.448 2.550 20 0 GFADRO COC[C@H]1CC[N@H+](C[C@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000265757220 655490022 /nfs/dbraw/zinc/49/00/22/655490022.db2.gz GOOJDHXWVCGHQY-AAEUAGOBSA-N 1 0 378.694 2.811 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)c1cn(Cc2ccc(Cl)cc2Cl)nn1 ZINC000578960841 655490211 /nfs/dbraw/zinc/49/02/11/655490211.db2.gz VSGJDORHSZZRPY-CYBMUJFWSA-N 1 0 380.279 2.600 20 0 GFADRO C[C@H](CCC[NH3+])NC(=O)C(=O)Nc1ccc(C(F)(F)F)c(Br)c1 ZINC000578968133 655490332 /nfs/dbraw/zinc/49/03/32/655490332.db2.gz JPHOVLCOZUUXFH-MRVPVSSYSA-N 1 0 396.207 2.650 20 0 GFADRO COc1ccc(C[NH2+][C@@H]2CCC[C@H](S(C)(=O)=O)C2)cc1Br ZINC000265876103 655492437 /nfs/dbraw/zinc/49/24/37/655492437.db2.gz NJOSCDUJGWHTJQ-OLZOCXBDSA-N 1 0 376.316 2.903 20 0 GFADRO C[C@@H]1CCC[N@H+](CCNC(=O)N(C)C[C@H](O)c2cccc(Br)c2)C1 ZINC000840253660 661149674 /nfs/dbraw/zinc/14/96/74/661149674.db2.gz QCHOLAKULGJDOB-PBHICJAKSA-N 1 0 398.345 2.856 20 0 GFADRO CCOCC[C@H](O)C[NH2+][C@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O ZINC000579113200 655494204 /nfs/dbraw/zinc/49/42/04/655494204.db2.gz SMSNHSSVRAFQNB-ZFWWWQNUSA-N 1 0 375.296 2.866 20 0 GFADRO O=C(CC[NH2+]Cc1ccc2c(c1)CCS2(=O)=O)Nc1ccc(Cl)cc1 ZINC000579228705 655496049 /nfs/dbraw/zinc/49/60/49/655496049.db2.gz YOKRUSRTFIXUDO-UHFFFAOYSA-N 1 0 378.881 2.788 20 0 GFADRO O=S(=O)(c1cc(Cl)ccc1Br)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000579307238 655497414 /nfs/dbraw/zinc/49/74/14/655497414.db2.gz AMJLUSPZJVXSCL-GFCCVEGCSA-N 1 0 393.734 2.961 20 0 GFADRO CC[C@@H](Cc1ccccc1Br)C(=O)NC[C@@]1(O)C[NH+]2CCC1CC2 ZINC000579516606 655500777 /nfs/dbraw/zinc/50/07/77/655500777.db2.gz TZTVLMNMAZYDNF-IFXJQAMLSA-N 1 0 395.341 2.591 20 0 GFADRO CNC(=O)[C@H](C[NH2+]Cc1ccc(Br)o1)Cc1ccc(OC)c(F)c1 ZINC000579591781 655501871 /nfs/dbraw/zinc/50/18/71/655501871.db2.gz OBFFFCSNHAGSTJ-LBPRGKRZSA-N 1 0 399.260 2.884 20 0 GFADRO C[C@H]1CCCc2nc(S(=O)(=O)N(CC[NH+](C)C)Cc3ccsc3)cn21 ZINC000579691202 655502400 /nfs/dbraw/zinc/50/24/00/655502400.db2.gz SYQCNIBNSZBMTE-AWEZNQCLSA-N 1 0 382.555 2.594 20 0 GFADRO C[C@@H](CNC(=O)Cc1noc2ccc(Br)cc21)C[NH+]1CCCC1 ZINC000579827777 655504361 /nfs/dbraw/zinc/50/43/61/655504361.db2.gz WDKBJEKQXIVUFD-LBPRGKRZSA-N 1 0 380.286 2.981 20 0 GFADRO O=S1(=O)CCC(O)(C[NH2+][C@@H](c2ccc(Cl)c(Cl)c2)C2CC2)CC1 ZINC000579847549 655504827 /nfs/dbraw/zinc/50/48/27/655504827.db2.gz AMBHKVZATHWJDM-OAHLLOKOSA-N 1 0 378.321 2.974 20 0 GFADRO [NH3+]CCC1CCN(C(=O)c2cc(F)ccc2I)CC1 ZINC000579847560 655504917 /nfs/dbraw/zinc/50/49/17/655504917.db2.gz BNBAMLUOVMOQBY-UHFFFAOYSA-N 1 0 376.213 2.631 20 0 GFADRO C[N@@H+]1CCCC[C@@H]1CCOC(=O)c1ccc(N)cc1I ZINC000840279750 661151137 /nfs/dbraw/zinc/15/11/37/661151137.db2.gz CULWIHDDENPYBQ-GFCCVEGCSA-N 1 0 388.249 2.905 20 0 GFADRO Cc1nc(NC(=O)C(=O)NCC[NH+](C(C)C)C(C)C)sc1C(F)(F)F ZINC000580267475 655510674 /nfs/dbraw/zinc/51/06/74/655510674.db2.gz AMEXMOIMCRLUEK-UHFFFAOYSA-N 1 0 380.436 2.644 20 0 GFADRO CC(C)(C[NH2+][C@H]1CCCC[C@@H]1CNC(=O)OC(C)(C)C)CS(C)(=O)=O ZINC000723848551 655525537 /nfs/dbraw/zinc/52/55/37/655525537.db2.gz WWJTURPPGKKODZ-CABCVRRESA-N 1 0 376.563 2.730 20 0 GFADRO C[C@H](C(=O)Nc1ccc(Br)cc1)[N@@H+]1CCC[C@@H](C2OCCO2)C1 ZINC000726375882 655533764 /nfs/dbraw/zinc/53/37/64/655533764.db2.gz KDJGZXDHZIGFRC-CHWSQXEVSA-N 1 0 383.286 2.861 20 0 GFADRO COc1ccc(NC(=S)N2CCN(CC[NH+]3CCCC3)CC2)cc1Cl ZINC000726897761 655539541 /nfs/dbraw/zinc/53/95/41/655539541.db2.gz PWIUGEBAMRSCNH-UHFFFAOYSA-N 1 0 382.961 2.759 20 0 GFADRO O=S(=O)(/C=C\c1ccccc1Br)NC1CC[NH+](C2CC2)CC1 ZINC000727442511 655545105 /nfs/dbraw/zinc/54/51/05/655545105.db2.gz DPBBEKHICRLYCJ-XFXZXTDPSA-N 1 0 385.327 2.966 20 0 GFADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)N[C@@H]1CCc2c1cccc2Br ZINC000729501136 655565456 /nfs/dbraw/zinc/56/54/56/655565456.db2.gz HIJKRHKYLBNIKD-OGHNNQOOSA-N 1 0 394.313 2.599 20 0 GFADRO O[C@@H](COc1ccc(Cl)c(Cl)c1)C[N@@H+]1CCC[C@@H](C2OCCO2)C1 ZINC000729544337 655565950 /nfs/dbraw/zinc/56/59/50/655565950.db2.gz ZOIYFFXOWYVELN-CHWSQXEVSA-N 1 0 376.280 2.818 20 0 GFADRO O[C@@H](CN1CCO[C@H](c2cc(F)c(Cl)cc2Cl)C1)C[NH+]1CCCC1 ZINC000730379090 655575284 /nfs/dbraw/zinc/57/52/84/655575284.db2.gz YPIVNFFIOPKZBR-PXAZEXFGSA-N 1 0 377.287 2.963 20 0 GFADRO O=C(Cn1c2ccccc2nc1SC(F)F)NCCN1CCSCC1 ZINC000732777071 655601498 /nfs/dbraw/zinc/60/14/98/655601498.db2.gz FWWSPAKUNSQOTP-UHFFFAOYSA-N 1 0 386.493 2.516 20 0 GFADRO O=C(/C=C/c1ccc(I)o1)N1CC[NH+](C2CCC2)CC1 ZINC000733276930 655611184 /nfs/dbraw/zinc/61/11/84/655611184.db2.gz ZTNVTFSTTABNCS-FNORWQNLSA-N 1 0 386.233 2.594 20 0 GFADRO COC(=O)/C=C1/SCC(=O)N1CCC[N@H+](C)CCc1ccc(Cl)cc1 ZINC000733313434 655611734 /nfs/dbraw/zinc/61/17/34/655611734.db2.gz SERTZSZLJWLFEQ-SFQUDFHCSA-N 1 0 382.913 2.794 20 0 GFADRO C[S@@](=O)CCC[NH2+]Cc1sc(N2CCOCC2)nc1-c1ccccc1 ZINC000735085369 655639020 /nfs/dbraw/zinc/63/90/20/655639020.db2.gz VPNVDCQEUNBQCK-RUZDIDTESA-N 1 0 379.551 2.505 20 0 GFADRO CC[S@@](=O)CCNC(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000735100459 655639635 /nfs/dbraw/zinc/63/96/35/655639635.db2.gz RNXZADTZESIYFE-RUZDIDTESA-N 1 0 385.961 2.620 20 0 GFADRO C[N@H+](CCNC(=O)C(=O)Nc1cccc(Cl)c1SC(F)F)C1CC1 ZINC000735587446 655649263 /nfs/dbraw/zinc/64/92/63/655649263.db2.gz KXGBRXJIXQPBGD-UHFFFAOYSA-N 1 0 377.844 2.804 20 0 GFADRO CC[C@H](C[NH+]1CCCC1)NC(=O)/C=C\c1ccc(I)o1 ZINC000736101144 655658916 /nfs/dbraw/zinc/65/89/16/655658916.db2.gz HKZXGNFQZCOVOI-XYLWRLHESA-N 1 0 388.249 2.888 20 0 GFADRO CCSc1nn(CN2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)c(=S)s1 ZINC000738170938 655686493 /nfs/dbraw/zinc/68/64/93/655686493.db2.gz RXOIIAZDVKJJIT-AWEZNQCLSA-N 1 0 387.644 2.845 20 0 GFADRO O=S(=O)(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1cccnc1Cl ZINC000738373172 655690176 /nfs/dbraw/zinc/69/01/76/655690176.db2.gz BMOIZSKCAUCRNV-INIZCTEOSA-N 1 0 379.913 2.578 20 0 GFADRO CN(C)C(=O)C[C@@H]1CN(C(=S)NCCC[NH+](C)C)c2ccc(Cl)cc21 ZINC000741481869 655706380 /nfs/dbraw/zinc/70/63/80/655706380.db2.gz CBRSPXPJSNNYJU-CYBMUJFWSA-N 1 0 382.961 2.548 20 0 GFADRO C[NH+]1CCC(NC(=S)NCCOc2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000741494420 655706458 /nfs/dbraw/zinc/70/64/58/655706458.db2.gz AGOMQSGSAWWQHZ-UHFFFAOYSA-N 1 0 396.866 2.691 20 0 GFADRO CC1(C)[C@@H]2C[N@@H+](CN3C(=O)N[C@](C)(c4ccc(Br)cc4)C3=O)C[C@@H]21 ZINC000742165720 655710723 /nfs/dbraw/zinc/71/07/23/655710723.db2.gz ZLRUBHDJGUIPAG-QWQRMKEZSA-N 1 0 392.297 2.761 20 0 GFADRO C[C@H]1CCC[N@@H+]1CCNC(=O)c1cc(F)ccc1I ZINC000742239769 655712775 /nfs/dbraw/zinc/71/27/75/655712775.db2.gz HDMYOJJAWCTWEA-JTQLQIEISA-N 1 0 376.213 2.644 20 0 GFADRO CN(c1ccc(OCC[NH+](C)C)cc1)S(=O)(=O)Cc1ccc(Cl)nc1 ZINC000742294726 655714305 /nfs/dbraw/zinc/71/43/05/655714305.db2.gz BKDGMPMVZXAUEV-UHFFFAOYSA-N 1 0 383.901 2.642 20 0 GFADRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)COc1ccc(C=O)cc1Br ZINC000742714401 655720364 /nfs/dbraw/zinc/72/03/64/655720364.db2.gz JJBKDKBNDPPPHI-OAHLLOKOSA-N 1 0 397.313 2.973 20 0 GFADRO CC[NH+](CC)C[C@@H]1CCN(C(=O)COc2ccc(C=O)cc2Br)C1 ZINC000742867314 655723005 /nfs/dbraw/zinc/72/30/05/655723005.db2.gz KKCVAUKWZBKNMP-HNNXBMFYSA-N 1 0 397.313 2.831 20 0 GFADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)Nc1c(F)cc(Br)cc1F ZINC000743214285 655727031 /nfs/dbraw/zinc/72/70/31/655727031.db2.gz GMCIHUALMITQJT-QWRGUYRKSA-N 1 0 390.228 2.712 20 0 GFADRO O=S(=O)(CC[NH2+][C@@H]1CCC[C@@H](c2cccc(Cl)c2)C1)N1CCOCC1 ZINC000840728215 661179594 /nfs/dbraw/zinc/17/95/94/661179594.db2.gz UWGXCJZOYMHXAR-SJLPKXTDSA-N 1 0 386.945 2.618 20 0 GFADRO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]CCc1ccc(F)cc1 ZINC000743503217 655729735 /nfs/dbraw/zinc/72/97/35/655729735.db2.gz OVTBWOMKMHPXHF-HNNXBMFYSA-N 1 0 385.892 2.676 20 0 GFADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)[C@@H]1CSCCS1 ZINC000744384351 655739694 /nfs/dbraw/zinc/73/96/94/655739694.db2.gz UREFPHZTQADGMR-KRWDZBQOSA-N 1 0 381.567 2.624 20 0 GFADRO C[C@H]1C[NH+](CCC(=O)Nc2sc3c(c2C(N)=O)CCCC3)C[C@H](C)S1 ZINC000744414101 655739908 /nfs/dbraw/zinc/73/99/08/655739908.db2.gz VQLHTTBRAGULNZ-RYUDHWBXSA-N 1 0 381.567 2.880 20 0 GFADRO C[C@H]1CC[N@H+](CCNC(=O)C(=O)Nc2ccccc2SC(F)(F)F)C1 ZINC000746047090 655757794 /nfs/dbraw/zinc/75/77/94/655757794.db2.gz VWPIMEYSJCCERC-NSHDSACASA-N 1 0 375.416 2.695 20 0 GFADRO O=C(CCc1ccc(Br)cc1F)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000747228229 655774433 /nfs/dbraw/zinc/77/44/33/655774433.db2.gz CFUXNDQBUJXBIS-GJZGRUSLSA-N 1 0 385.277 2.500 20 0 GFADRO Cc1ccc(O[C@H](C)C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)c(Br)c1 ZINC000747230619 655774541 /nfs/dbraw/zinc/77/45/41/655774541.db2.gz WOJOHJOUWDBULO-ILXRZTDVSA-N 1 0 397.313 2.504 20 0 GFADRO CC[NH+](CC)CCO[C@H]1CCN(Cn2nc(N3CCCC3)sc2=S)C1 ZINC000747470697 655779436 /nfs/dbraw/zinc/77/94/36/655779436.db2.gz OQJZKOWFKDGESR-HNNXBMFYSA-N 1 0 385.603 2.664 20 0 GFADRO CCN(C[C@H]1CCN(C(=S)NC[C@H]2CCC[N@@H+]2CC)C1)CC(F)(F)F ZINC000748084501 655787215 /nfs/dbraw/zinc/78/72/15/655787215.db2.gz IWRPODYVIRDSGT-HUUCEWRRSA-N 1 0 380.524 2.551 20 0 GFADRO C[C@@H](CNC(=S)NC1CC[NH+](C)CC1)Oc1ccccc1Br ZINC000749007979 655798697 /nfs/dbraw/zinc/79/86/97/655798697.db2.gz ULSWKWACXJFHHI-LBPRGKRZSA-N 1 0 386.359 2.775 20 0 GFADRO CCc1c(Cl)nc(CS(C)(=O)=O)nc1NCCC[N@@H+]1CCCC[C@@H]1C ZINC000749091789 655799768 /nfs/dbraw/zinc/79/97/68/655799768.db2.gz ITWIDMCPPXKHFM-ZDUSSCGKSA-N 1 0 388.965 2.913 20 0 GFADRO COC(=O)[C@@H](c1ccc(Cl)c(Cl)c1)N(C)C[C@@H](O)C[NH+]1CCCC1 ZINC000749153168 655801047 /nfs/dbraw/zinc/80/10/47/655801047.db2.gz VJVQSUDHTMIVNL-CZUORRHYSA-N 1 0 375.296 2.596 20 0 GFADRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)c2cn(-c3ccccc3Br)nn2)C1 ZINC000749453205 655805148 /nfs/dbraw/zinc/80/51/48/655805148.db2.gz JODFIGBIACPYMP-STQMWFEESA-N 1 0 392.301 2.632 20 0 GFADRO C[C@@H]([NH2+]CC(C)(C)[C@H]1COCC12OCCO2)c1ccc(Br)cn1 ZINC000840798469 661188695 /nfs/dbraw/zinc/18/86/95/661188695.db2.gz OQAHMTKLYQIPRK-IUODEOHRSA-N 1 0 385.302 2.910 20 0 GFADRO CC(C)[C@@H](C[NH+](C)C)NC(=O)c1cc(F)ccc1I ZINC000750729237 655816584 /nfs/dbraw/zinc/81/65/84/655816584.db2.gz YLCFRBPSXJACCF-CYBMUJFWSA-N 1 0 378.229 2.746 20 0 GFADRO C[NH+]1CCC(NC(=S)N2CCC[C@@H]2c2ccc(Br)cn2)CC1 ZINC000840840142 661194782 /nfs/dbraw/zinc/19/47/82/661194782.db2.gz GDVJLQLRMCDLHA-OAHLLOKOSA-N 1 0 383.359 2.950 20 0 GFADRO C[C@@H](CNC(=O)c1cnn(-c2ccccc2)c1Br)[N@H+](C)C1CC1 ZINC000753818618 655859365 /nfs/dbraw/zinc/85/93/65/655859365.db2.gz OOUUEVXRENSSPQ-LBPRGKRZSA-N 1 0 377.286 2.847 20 0 GFADRO CCO[C@H](CC[NH+](C)C)CNC(=S)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000753967656 655861584 /nfs/dbraw/zinc/86/15/84/655861584.db2.gz XJBFAAMFWFXKAI-GFCCVEGCSA-N 1 0 375.441 2.651 20 0 GFADRO COC(=O)c1c(C)c(C)sc1NC(=O)C[NH2+][C@H](CCO)c1cccs1 ZINC000754385882 655867176 /nfs/dbraw/zinc/86/71/76/655867176.db2.gz JMGMBAMVQGRXQD-GFCCVEGCSA-N 1 0 382.507 2.865 20 0 GFADRO OCC[C@H]([NH2+]C[C@H](O)COc1cccc(Br)c1)c1cccs1 ZINC000754389333 655867196 /nfs/dbraw/zinc/86/71/96/655867196.db2.gz RSUPIOXZNFKWEH-ZFWWWQNUSA-N 1 0 386.311 2.964 20 0 GFADRO CCOC(=O)C(F)(F)[C@@H]1CC[C@@H]([NH2+]Cc2ccccc2S(C)(=O)=O)C1 ZINC000840863278 661196598 /nfs/dbraw/zinc/19/65/98/661196598.db2.gz MXQZHPCGUZWYJK-ZIAGYGMSSA-N 1 0 375.437 2.547 20 0 GFADRO COC(=O)C[C@@H]([NH2+][C@@H](C)C(=O)N(C)Cc1ccc(Br)cc1)C1CC1 ZINC000754517656 655868949 /nfs/dbraw/zinc/86/89/49/655868949.db2.gz LMHXHHFRCAHDPT-BLLLJJGKSA-N 1 0 397.313 2.727 20 0 GFADRO CCOC(=O)C(F)(F)[C@H]1CC[C@H]([NH2+]Cc2ccccc2S(C)(=O)=O)C1 ZINC000840863270 661196692 /nfs/dbraw/zinc/19/66/92/661196692.db2.gz MXQZHPCGUZWYJK-KBPBESRZSA-N 1 0 375.437 2.547 20 0 GFADRO CCN(C(=O)C[NH2+][C@H](C)c1csc2ccccc21)[C@@H]1CCS(=O)(=O)C1 ZINC000754740853 655872288 /nfs/dbraw/zinc/87/22/88/655872288.db2.gz ULVOCLASYCKWAB-ZIAGYGMSSA-N 1 0 380.535 2.588 20 0 GFADRO CC(C)(C)S(=O)(=O)N1CCC([NH2+]Cc2occc2Br)CC1 ZINC000755220713 655881294 /nfs/dbraw/zinc/88/12/94/655881294.db2.gz OXIQWCZHTVXHGB-UHFFFAOYSA-N 1 0 379.320 2.724 20 0 GFADRO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)NCC[N@H+]1CC[C@H](C)C1 ZINC000755430267 655883181 /nfs/dbraw/zinc/88/31/81/655883181.db2.gz WRQPJEBBMLYLNK-NSHDSACASA-N 1 0 393.281 2.936 20 0 GFADRO COC(=O)N1CCC([NH2+]CC(=O)Nc2ccc(Br)c(C)c2)CC1 ZINC000756898779 655906698 /nfs/dbraw/zinc/90/66/98/655906698.db2.gz YCXAFPOOFQSQFP-UHFFFAOYSA-N 1 0 384.274 2.516 20 0 GFADRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)Nc1cc2c(cc1Br)OCCO2 ZINC000757797281 655916748 /nfs/dbraw/zinc/91/67/48/655916748.db2.gz VAXKOOSWDFTGHB-HZMBPMFUSA-N 1 0 396.285 2.825 20 0 GFADRO CCCN(CC[NH2+]Cc1ccc(S(C)(=O)=O)s1)C(=O)OC(C)(C)C ZINC000840908163 661205400 /nfs/dbraw/zinc/20/54/00/661205400.db2.gz VOHUTFCWCINIPJ-UHFFFAOYSA-N 1 0 376.544 2.888 20 0 GFADRO CC[C@H](CO)[NH+]1CCN(C(=O)Cc2ccc(Cl)cc2Br)CC1 ZINC000759627961 655958945 /nfs/dbraw/zinc/95/89/45/655958945.db2.gz PEJHASUSMXMCAK-CQSZACIVSA-N 1 0 389.721 2.560 20 0 GFADRO O[C@@H](CN1CCC(Oc2cccc(Br)c2)CC1)C[NH+]1CCCC1 ZINC000759912707 655966246 /nfs/dbraw/zinc/96/62/46/655966246.db2.gz YJRISHKTTIQYDU-MRXNPFEDSA-N 1 0 383.330 2.749 20 0 GFADRO COc1ccc(CNC(=S)NCC2CC[NH+](C)CC2)cc1Br ZINC000760476829 655982093 /nfs/dbraw/zinc/98/20/93/655982093.db2.gz KOMJEIVBMNXUCA-UHFFFAOYSA-N 1 0 386.359 2.764 20 0 GFADRO CC(C)[C@@H](C[NH+](C)C)NC(=O)c1cc(I)ccc1F ZINC000762216276 656036494 /nfs/dbraw/zinc/03/64/94/656036494.db2.gz SQPCNQLOEJYVAF-CYBMUJFWSA-N 1 0 378.229 2.746 20 0 GFADRO C[C@@]1(c2ccc(Br)cc2)NC(=O)N(C[N@@H+]2CC[C@H](C3CC3)C2)C1=O ZINC000763331798 656079322 /nfs/dbraw/zinc/07/93/22/656079322.db2.gz JAZXGGVKHNPXPE-UGSOOPFHSA-N 1 0 392.297 2.906 20 0 GFADRO C[C@]1(c2ccccc2Br)NC(=O)N(C[N@@H+]2CC[C@@H](C3CC3)C2)C1=O ZINC000763330732 656079429 /nfs/dbraw/zinc/07/94/29/656079429.db2.gz DKSONPNTWIFKIN-FZKQIMNGSA-N 1 0 392.297 2.906 20 0 GFADRO C[C@H]([NH2+][C@@H](CCO)C1CCOCC1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000763558202 656086033 /nfs/dbraw/zinc/08/60/33/656086033.db2.gz JDVOVZHHOPHQSV-LRDDRELGSA-N 1 0 377.453 2.511 20 0 GFADRO C[C@@H]1CCC[N@@H+]1CCNC(=O)c1ccc(F)c(I)c1 ZINC000763763708 656092684 /nfs/dbraw/zinc/09/26/84/656092684.db2.gz KXZZKEVSTVMXNX-SNVBAGLBSA-N 1 0 376.213 2.644 20 0 GFADRO CC[N@H+](CCc1cccs1)CC(=O)Nc1sc2c(c1C(N)=O)CCC2 ZINC000764215386 656105116 /nfs/dbraw/zinc/10/51/16/656105116.db2.gz LMDDAKYZTTYMHU-UHFFFAOYSA-N 1 0 377.535 2.900 20 0 GFADRO OC[C@@H](C[C@@H](O)c1ccccc1)[NH2+]Cc1cc(Br)cc2c1OCC2 ZINC000764978166 656124843 /nfs/dbraw/zinc/12/48/43/656124843.db2.gz RARSIBYWAOXUKQ-QZTJIDSGSA-N 1 0 392.293 2.958 20 0 GFADRO C[NH+](C)CCOC1CCN(C(=O)[C@H](O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000765043057 656127366 /nfs/dbraw/zinc/12/73/66/656127366.db2.gz UXHKHMHQFBUVBK-MRXNPFEDSA-N 1 0 375.296 2.596 20 0 GFADRO C[C@H]([NH2+]C[C@@H](C)C(C)(C)C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000766008215 656157737 /nfs/dbraw/zinc/15/77/37/656157737.db2.gz QXLTUXIROQNZJX-KGLIPLIRSA-N 1 0 390.571 2.745 20 0 GFADRO Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1CN(C)C[C@@H](O)C[NH3+] ZINC000841091732 661232153 /nfs/dbraw/zinc/23/21/53/661232153.db2.gz FAEPTSOXYKWYCV-ZDUSSCGKSA-N 1 0 376.810 2.604 20 0 GFADRO C[C@@H](CNC(=O)N[C@@H](CO)c1cccc(Br)c1)[NH+]1CCCCC1 ZINC000766881093 656187003 /nfs/dbraw/zinc/18/70/03/656187003.db2.gz YWGDSKOWCIDQAE-BBRMVZONSA-N 1 0 384.318 2.656 20 0 GFADRO CC[NH2+]Cc1ccccc1NC(=O)C(=O)N1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl ZINC000841124982 661235194 /nfs/dbraw/zinc/23/51/94/661235194.db2.gz BGPCLXCWCUDFBN-PBHICJAKSA-N 1 0 384.307 2.777 20 0 GFADRO C[NH+](C)CCNC(=S)N1CCc2c(Br)ccc(Cl)c2C1 ZINC000767400075 656201705 /nfs/dbraw/zinc/20/17/05/656201705.db2.gz SPPBODNYLJQSMM-UHFFFAOYSA-N 1 0 376.751 2.897 20 0 GFADRO [NH3+]C[C@@H]1CCCN(C(=O)Nc2cnc(Br)c(Br)c2)C1 ZINC000841140745 661236523 /nfs/dbraw/zinc/23/65/23/661236523.db2.gz ACIFOOZEQCORLZ-QMMMGPOBSA-N 1 0 392.095 2.809 20 0 GFADRO [NH3+][C@@H]1CCCN(C(=O)Nc2cnc(Br)c(Br)c2)C1 ZINC000841142430 661237205 /nfs/dbraw/zinc/23/72/05/661237205.db2.gz OLTOMIKUZTUVBX-SSDOTTSWSA-N 1 0 378.068 2.562 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCN(C(=O)Nc2cnc(Br)c(Br)c2)C1 ZINC000841142422 661237429 /nfs/dbraw/zinc/23/74/29/661237429.db2.gz OGHCCWZTHHUKEH-YUMQZZPRSA-N 1 0 392.095 2.808 20 0 GFADRO COc1cc(S(=O)(=O)N2CCC(C[NH+]3CCCCC3)CC2)cnc1Cl ZINC000767729635 656217251 /nfs/dbraw/zinc/21/72/51/656217251.db2.gz QWPVPKQCCVIQAH-UHFFFAOYSA-N 1 0 387.933 2.630 20 0 GFADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+][C@H]1CCCC(F)(F)C1 ZINC000767929904 656228017 /nfs/dbraw/zinc/22/80/17/656228017.db2.gz SEMXESFZMJCRPK-NWDGAFQWSA-N 1 0 381.876 2.872 20 0 GFADRO C[C@H](CNC(=O)N[C@@H](CO)c1ccc(Br)cc1)[NH+]1CCCCC1 ZINC000768044953 656231191 /nfs/dbraw/zinc/23/11/91/656231191.db2.gz GUCNJPFOHJNMCD-CJNGLKHVSA-N 1 0 384.318 2.656 20 0 GFADRO CC(=O)N1CCC([N@H+](C)CC(=O)Nc2ccc(Br)cc2C)CC1 ZINC000768178938 656234115 /nfs/dbraw/zinc/23/41/15/656234115.db2.gz JDCFMNBPHRGVJJ-UHFFFAOYSA-N 1 0 382.302 2.639 20 0 GFADRO CCCCCSc1nc2ccc(NC(=O)C(=O)NCC[NH2+]C)cc2s1 ZINC000841167383 661240918 /nfs/dbraw/zinc/24/09/18/661240918.db2.gz YMFAQLXSFRALLN-UHFFFAOYSA-N 1 0 380.539 2.853 20 0 GFADRO C[C@H]([NH3+])C1CCN(C(=O)C(=O)Nc2ccccc2SC(F)(F)F)CC1 ZINC000841169906 661241101 /nfs/dbraw/zinc/24/11/01/661241101.db2.gz WFDHZVNVMRKLOY-JTQLQIEISA-N 1 0 375.416 2.823 20 0 GFADRO C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)Nc1cnc(Cl)c(Br)c1 ZINC000841187668 661242624 /nfs/dbraw/zinc/24/26/24/661242624.db2.gz XLPRQFMAUQYQSH-GMSGAONNSA-N 1 0 377.670 2.732 20 0 GFADRO CCCC[C@H](C[NH3+])NC(=O)C(=O)Nc1cc2ccccc2nc1Br ZINC000841195046 661243445 /nfs/dbraw/zinc/24/34/45/661243445.db2.gz VDKGWVPYZZPFJL-GFCCVEGCSA-N 1 0 393.285 2.570 20 0 GFADRO CC(C)OCC[NH+]1CCN(Cc2ccccc2I)CC1 ZINC000769467954 656277288 /nfs/dbraw/zinc/27/72/88/656277288.db2.gz AXHASHTUWPMPFN-UHFFFAOYSA-N 1 0 388.293 2.834 20 0 GFADRO CSc1nc2ccc(NC(=O)C(=O)N[C@H](C[NH3+])C3CCCC3)cc2s1 ZINC000841269999 661250669 /nfs/dbraw/zinc/25/06/69/661250669.db2.gz RZNIPIALVWBXJK-CYBMUJFWSA-N 1 0 378.523 2.590 20 0 GFADRO [NH3+][C@H]1CCC[C@@H](NC(=O)C(=O)Nc2cccc(Cl)c2SC(F)F)C1 ZINC000841225715 661245707 /nfs/dbraw/zinc/24/57/07/661245707.db2.gz FPZRVPQOHDPMIY-DTWKUNHWSA-N 1 0 377.844 2.979 20 0 GFADRO O=C(NCCCN1CC[NH+](Cc2ccccc2)CC1)c1csc(Cl)n1 ZINC000769690502 656285805 /nfs/dbraw/zinc/28/58/05/656285805.db2.gz KUFSHHFRSQHREB-UHFFFAOYSA-N 1 0 378.929 2.734 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)c1nccn2c(Br)cnc12 ZINC000769700903 656286114 /nfs/dbraw/zinc/28/61/14/656286114.db2.gz DZKXLAJADIWXSF-CYBMUJFWSA-N 1 0 394.317 2.876 20 0 GFADRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)Nc2cccnc2Br)C1 ZINC000770271588 656313619 /nfs/dbraw/zinc/31/36/19/656313619.db2.gz UVNQSQKQRRHGFZ-ZDUSSCGKSA-N 1 0 385.306 2.809 20 0 GFADRO CC[NH+](CC)CCOC(=O)c1n[nH]c2ccc(I)cc21 ZINC000772161159 656374249 /nfs/dbraw/zinc/37/42/49/656374249.db2.gz RROYCRDNDQCDCY-UHFFFAOYSA-N 1 0 387.221 2.666 20 0 GFADRO NC(=O)NC(=O)OCCC[N@@H+]1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000772198271 656374876 /nfs/dbraw/zinc/37/48/76/656374876.db2.gz AWDGWVXGSGASII-NSHDSACASA-N 1 0 376.240 2.642 20 0 GFADRO C[NH+](C)CCCNC(=S)NCc1cnn(-c2ccc(Br)cc2)c1 ZINC000773191910 656403723 /nfs/dbraw/zinc/40/37/23/656403723.db2.gz LJYMWIGAVXAJBN-UHFFFAOYSA-N 1 0 396.358 2.551 20 0 GFADRO CNC(=O)c1ccc(C[NH2+]C[C@H](O)c2ccc(F)c(Br)c2)cc1 ZINC000774606287 656540474 /nfs/dbraw/zinc/54/04/74/656540474.db2.gz YMACZSJOLAEEKO-INIZCTEOSA-N 1 0 381.245 2.771 20 0 GFADRO O=S1(=O)CC(CC[NH2+]Cc2nc3ccc(Br)cc3s2)C1 ZINC000775013435 656586838 /nfs/dbraw/zinc/58/68/38/656586838.db2.gz VLRGOPYMOBMQIW-UHFFFAOYSA-N 1 0 375.313 2.583 20 0 GFADRO C[C@H]([NH2+]CCCN1CCOC1=O)c1cc2c(cc1Br)OCCO2 ZINC000775187291 656611892 /nfs/dbraw/zinc/61/18/92/656611892.db2.gz NEUNRRJSSJEVMS-NSHDSACASA-N 1 0 385.258 2.713 20 0 GFADRO O=C(c1ccc(C[NH2+][C@@H]2CC[C@@H]3SCCS[C@H]23)cc1)N1CCOCC1 ZINC000775382227 656634663 /nfs/dbraw/zinc/63/46/63/656634663.db2.gz GQZXHFHEMSOZRL-FGTMMUONSA-N 1 0 378.563 2.628 20 0 GFADRO O=C1C[C@H]([NH2+][C@@H]2CC[C@@H]3SCCS[C@H]23)CN1CCOc1ccccc1 ZINC000775410269 656638046 /nfs/dbraw/zinc/63/80/46/656638046.db2.gz IKTHWYHFDMFUMW-LKCYJCQHSA-N 1 0 378.563 2.636 20 0 GFADRO CS(=O)(=O)C[C@H]([NH2+]C[C@@H](O)c1cccc(Br)c1)c1ccccc1 ZINC000775550081 656648425 /nfs/dbraw/zinc/64/84/25/656648425.db2.gz XEDJHMXGIVGODB-DLBZAZTESA-N 1 0 398.322 2.858 20 0 GFADRO COC(=O)N1CCC([NH2+][C@@H]2CCN(c3ccc(Br)cc3)C2)CC1 ZINC000776689453 656782858 /nfs/dbraw/zinc/78/28/58/656782858.db2.gz XUMQFJMVLSEYOD-OAHLLOKOSA-N 1 0 382.302 2.848 20 0 GFADRO O=C(Cc1ccc(F)cc1Br)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000777145036 656812692 /nfs/dbraw/zinc/81/26/92/656812692.db2.gz OCAZFBXPGDBTOK-MRXNPFEDSA-N 1 0 399.304 2.890 20 0 GFADRO O=C(NCC1([NH+]2CCCCC2)CCOCC1)c1scnc1Br ZINC000777801367 656836192 /nfs/dbraw/zinc/83/61/92/656836192.db2.gz GBFWGCQAZZVZSD-UHFFFAOYSA-N 1 0 388.331 2.671 20 0 GFADRO COC(=O)C1=C(C)O[C@@H](C[N@H+](C)[C@H](CO)c2cccc(Br)c2)C1 ZINC000778223614 656870527 /nfs/dbraw/zinc/87/05/27/656870527.db2.gz MBPCXZLEMFMXHR-GDBMZVCRSA-N 1 0 384.270 2.650 20 0 GFADRO CO[C@H](c1ccccc1Cl)[C@H](C)[NH2+]CCc1ccc(S(N)(=O)=O)cc1 ZINC000778245334 656871177 /nfs/dbraw/zinc/87/11/77/656871177.db2.gz OZCQFRWSAXQKSV-UGSOOPFHSA-N 1 0 382.913 2.896 20 0 GFADRO C[C@H]([NH2+]C[C@](O)(c1ccc(Cl)cc1)C(F)(F)F)C1CCS(=O)(=O)CC1 ZINC000779045033 656898132 /nfs/dbraw/zinc/89/81/32/656898132.db2.gz GOGQTQWWVQQXDZ-NHYWBVRUSA-N 1 0 399.862 2.893 20 0 GFADRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NOCc1ccc(F)cc1Br ZINC000780536052 657011887 /nfs/dbraw/zinc/01/18/87/657011887.db2.gz MORAFJICIYUUHX-BMIGLBTASA-N 1 0 386.265 2.802 20 0 GFADRO CN(CN1C(=O)N[C@](C)(c2ccc(Cl)s2)C1=O)CC1([NH+](C)C)CCC1 ZINC000783548886 657240339 /nfs/dbraw/zinc/24/03/39/657240339.db2.gz VXAQZBBBELNZRA-MRXNPFEDSA-N 1 0 384.933 2.542 20 0 GFADRO COc1cc(Br)ccc1CCC[N@@H+]1CCN2C(=O)OCC[C@H]2C1 ZINC000784222870 657296190 /nfs/dbraw/zinc/29/61/90/657296190.db2.gz QOJSDTNXKBCFLJ-HNNXBMFYSA-N 1 0 383.286 2.917 20 0 GFADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1S(=O)(=O)/C=C/c1ccc(Cl)cc1 ZINC000785311448 657353931 /nfs/dbraw/zinc/35/39/31/657353931.db2.gz RWHUFCJTJCMURH-XETPBLJFSA-N 1 0 384.929 2.826 20 0 GFADRO COc1cc(OC)cc(N2CC[C@@H]([NH2+]Cc3cc(Br)nn3C)C2)c1 ZINC000785482531 657367998 /nfs/dbraw/zinc/36/79/98/657367998.db2.gz NUWBQKRSZSHAFM-GFCCVEGCSA-N 1 0 395.301 2.568 20 0 GFADRO C[NH+](C)CCc1ccc(CNS(=O)(=O)c2cnc(Cl)c(Cl)c2)cc1 ZINC000786126373 657407700 /nfs/dbraw/zinc/40/77/00/657407700.db2.gz OFNPVCZJQXKRAL-UHFFFAOYSA-N 1 0 388.320 2.971 20 0 GFADRO COC1CC[NH+](C(C)(C)CNC(=O)Nc2cccc(Br)n2)CC1 ZINC000786144939 657410075 /nfs/dbraw/zinc/41/00/75/657410075.db2.gz RTQKHRRLYPJUKY-UHFFFAOYSA-N 1 0 385.306 2.855 20 0 GFADRO Cc1ccc(Br)nc1C(=O)Nc1c[nH+]ccc1N1CCN(C)CC1 ZINC000786625207 657446569 /nfs/dbraw/zinc/44/65/69/657446569.db2.gz XMAYSAVXRMEZFH-UHFFFAOYSA-N 1 0 390.285 2.552 20 0 GFADRO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]C[C@H](O)c2cc(F)cc(Cl)c2)c1 ZINC000787040038 657508097 /nfs/dbraw/zinc/50/80/97/657508097.db2.gz YPYRWVCSYHPKFM-DIFFPNOSSA-N 1 0 386.876 2.771 20 0 GFADRO CC[NH+](CC)[C@H](CNC(=O)c1cc(Br)n[nH]1)Cc1ccccc1 ZINC000788279950 657688385 /nfs/dbraw/zinc/68/83/85/657688385.db2.gz HXJHXARKRBAXLG-AWEZNQCLSA-N 1 0 379.302 2.855 20 0 GFADRO COC(=O)c1sc(S(=O)(=O)NCCC2CC[NH+](C)CC2)c(C)c1Cl ZINC000788612249 657752502 /nfs/dbraw/zinc/75/25/02/657752502.db2.gz NHLUXNVNPPYFGS-UHFFFAOYSA-N 1 0 394.946 2.507 20 0 GFADRO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]CC[C@](C)(O)c1ccccc1 ZINC000788768309 657784898 /nfs/dbraw/zinc/78/48/98/657784898.db2.gz ZIZFSBJSXXHATG-KSSFIOAISA-N 1 0 379.298 2.887 20 0 GFADRO C[N@@H+]1CCN(CCCNC(=O)c2nc(Cl)cs2)[C@@H](c2ccccc2)C1 ZINC000789894815 657898108 /nfs/dbraw/zinc/89/81/08/657898108.db2.gz MGISWPRRNMVKCP-OAHLLOKOSA-N 1 0 378.929 2.905 20 0 GFADRO O=C(N[C@H]1CC[N@@H+](C2CC2)C1)c1nc(Br)ccc1Br ZINC000790507773 657994411 /nfs/dbraw/zinc/99/44/11/657994411.db2.gz LTUQRQKQKXBSIF-QMMMGPOBSA-N 1 0 389.091 2.573 20 0 GFADRO OC[C@@H](C[C@@H](O)c1ccccc1)[NH2+]Cc1cccc(I)c1 ZINC000790567170 657998730 /nfs/dbraw/zinc/99/87/30/657998730.db2.gz FFLHFBPZNBAAKQ-IAGOWNOFSA-N 1 0 397.256 2.865 20 0 GFADRO CC(C)[NH+]1CCN(CCCOC(=O)COc2cccc(Br)c2)CC1 ZINC000791493072 658111161 /nfs/dbraw/zinc/11/11/61/658111161.db2.gz FKKVNRFFWYUPIS-UHFFFAOYSA-N 1 0 399.329 2.787 20 0 GFADRO C[NH+](C)CCCOC(=O)c1cc(S(=O)(=O)NC(C)(C)C)ccc1Cl ZINC000791992936 658215946 /nfs/dbraw/zinc/21/59/46/658215946.db2.gz ARWIJEIUXDINEY-UHFFFAOYSA-N 1 0 376.906 2.525 20 0 GFADRO COCC[C@H]([NH2+]CC(=O)N1CCO[C@H](C)C1)c1ccc(Cl)c(Cl)c1 ZINC000792929719 658331162 /nfs/dbraw/zinc/33/11/62/658331162.db2.gz XUTOPCSDRCWZGX-WBMJQRKESA-N 1 0 375.296 2.908 20 0 GFADRO NC(=O)[C@H]([NH2+][C@@H]1CC[C@H]2SCCS[C@@H]12)c1cccc(Br)c1 ZINC000793267771 658379823 /nfs/dbraw/zinc/37/98/23/658379823.db2.gz WCRCDLZWEVHBOX-SYQHCUMBSA-N 1 0 387.368 2.945 20 0 GFADRO Cc1cc([C@H](C)[NH2+]CCCNC(=O)c2ccc(Br)cc2)n(C)n1 ZINC000793523131 658402939 /nfs/dbraw/zinc/40/29/39/658402939.db2.gz CYKFKEMPRAJUPB-ZDUSSCGKSA-N 1 0 379.302 2.962 20 0 GFADRO C[C@@H](C[C@@H]1CCOC1)[NH2+]CC(=O)Nc1ccc(I)cc1 ZINC000793576819 658406936 /nfs/dbraw/zinc/40/69/36/658406936.db2.gz ZDKANLPBLKWMOR-RYUDHWBXSA-N 1 0 388.249 2.634 20 0 GFADRO Cc1nc(SC(F)F)sc1CC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C ZINC000793882943 658454001 /nfs/dbraw/zinc/45/40/01/658454001.db2.gz GSTVLMCEZWTQRZ-SNVBAGLBSA-N 1 0 393.525 2.612 20 0 GFADRO Cc1ccc(NC(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)nc1Br ZINC000794358214 658526401 /nfs/dbraw/zinc/52/64/01/658526401.db2.gz AEUAZURLACXNQZ-ZDUSSCGKSA-N 1 0 385.306 2.727 20 0 GFADRO CCNS(=O)(=O)CC[NH2+][C@@H](c1ccc(Br)cc1F)C1CC1 ZINC000794811621 658616937 /nfs/dbraw/zinc/61/69/37/658616937.db2.gz SOSPGOZZFJZNJU-CQSZACIVSA-N 1 0 379.295 2.568 20 0 GFADRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1CN1Cc2cccc(Br)c2C1=O ZINC000795709570 658843486 /nfs/dbraw/zinc/84/34/86/658843486.db2.gz YQYQKJLYUICXKH-DZGCQCFKSA-N 1 0 378.314 2.921 20 0 GFADRO C[C@@H](C[C@@H](O)c1ccco1)[NH2+]Cc1ncc(I)s1 ZINC000796341553 658913169 /nfs/dbraw/zinc/91/31/69/658913169.db2.gz PVLIWDRMDIKQNA-DTWKUNHWSA-N 1 0 378.235 2.943 20 0 GFADRO CCCCn1nc(C)c(C[NH2+]C[C@@H]2CCCCN2S(C)(=O)=O)c1Cl ZINC000796513126 658921238 /nfs/dbraw/zinc/92/12/38/658921238.db2.gz LWIALWXJTJXNNX-AWEZNQCLSA-N 1 0 376.954 2.549 20 0 GFADRO O=C(NCCC[NH2+][C@@H]1CCCc2n[nH]cc21)c1ccc(Br)cc1 ZINC000796748519 658936799 /nfs/dbraw/zinc/93/67/99/658936799.db2.gz XYZYAERBTSDIPM-OAHLLOKOSA-N 1 0 377.286 2.959 20 0 GFADRO CS(=O)(=O)N1CC(C[NH2+][C@@H](c2cccc(OC(F)(F)F)c2)C2CC2)C1 ZINC000796954173 658955474 /nfs/dbraw/zinc/95/54/74/658955474.db2.gz PAQJXSCPRQQFJQ-OAHLLOKOSA-N 1 0 378.416 2.517 20 0 GFADRO CC[NH+](CC)CC[C@H](CO)NC(=O)[C@H](C)Sc1nc2ccccc2s1 ZINC000798144019 659075992 /nfs/dbraw/zinc/07/59/92/659075992.db2.gz SDAXAFGQAOULJR-UONOGXRCSA-N 1 0 381.567 2.986 20 0 GFADRO Cc1nc(S(=O)(=O)NC[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)sc1C ZINC000798458753 659108296 /nfs/dbraw/zinc/10/82/96/659108296.db2.gz SLNGGMPOAJHXMO-GOSISDBHSA-N 1 0 379.551 2.950 20 0 GFADRO CC(C)[C@@H](C(=O)OC[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1)[NH+](C)C ZINC000798854120 659151385 /nfs/dbraw/zinc/15/13/85/659151385.db2.gz MVVDKSBXKFFYLH-DYVFJYSZSA-N 1 0 397.313 2.931 20 0 GFADRO O[C@@H](C[NH2+]C[C@H](O)c1ccc(F)cn1)COc1cccc(Cl)c1Cl ZINC000799613214 659202284 /nfs/dbraw/zinc/20/22/84/659202284.db2.gz KEVXSCSGMNLGQS-FZMZJTMJSA-N 1 0 375.227 2.590 20 0 GFADRO C[C@@H](NC(=O)NC[C@H](O)c1cccc(Br)c1)C(C)(C)C[NH+](C)C ZINC000799945872 659248124 /nfs/dbraw/zinc/24/81/24/659248124.db2.gz XRBLFRDTBUEXCB-DOMZBBRYSA-N 1 0 386.334 2.758 20 0 GFADRO O=C(OCCC[NH+]1CCCC1)[C@@H]1CSCN1C(=O)c1ccc(Cl)cc1 ZINC000800163915 659282741 /nfs/dbraw/zinc/28/27/41/659282741.db2.gz UYANCXRFEAIROF-INIZCTEOSA-N 1 0 382.913 2.884 20 0 GFADRO Cc1nn(C)c(Br)c1C(=O)N1CC[NH+](CC2CCCCC2)CC1 ZINC000800868652 659341467 /nfs/dbraw/zinc/34/14/67/659341467.db2.gz HRYPDFKXHKMGQR-UHFFFAOYSA-N 1 0 383.334 2.829 20 0 GFADRO Cc1nn(C)c(Br)c1C(=O)N1CCC[C@H]([NH+]2[C@H](C)CC[C@H]2C)C1 ZINC000801091140 659367696 /nfs/dbraw/zinc/36/76/96/659367696.db2.gz VELNTTDVEBRUQH-BZPMIXESSA-N 1 0 383.334 2.968 20 0 GFADRO COC(=O)c1ccc(Br)cc1CN1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000801509625 659399776 /nfs/dbraw/zinc/39/97/76/659399776.db2.gz STVBEKASDKGJMD-INIZCTEOSA-N 1 0 397.313 2.532 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)NC[C@@H](O)c2cccc(Br)c2)C1 ZINC000801758079 659424226 /nfs/dbraw/zinc/42/42/26/659424226.db2.gz IBNSRIUJGONZIZ-ARFHVFGLSA-N 1 0 384.318 2.655 20 0 GFADRO CC(C)[N@@H+]1CCO[C@H](COC(=O)COc2ccc(F)cc2Br)C1 ZINC000802137757 659449305 /nfs/dbraw/zinc/44/93/05/659449305.db2.gz VOFDVGFORYGOLC-ZDUSSCGKSA-N 1 0 390.249 2.619 20 0 GFADRO CCC[N@H+](C)[C@H](CNC(=O)[C@@H]1CSCN1C(C)=O)c1ccc(Cl)cc1 ZINC000804128887 659622361 /nfs/dbraw/zinc/62/23/61/659622361.db2.gz TWCYLEHZTWTWGB-SJORKVTESA-N 1 0 383.945 2.761 20 0 GFADRO O=S(=O)(NCC[NH2+][C@H]1CCc2nc(Cl)ccc21)c1cccc(Cl)c1 ZINC000806134870 659826311 /nfs/dbraw/zinc/82/63/11/659826311.db2.gz OSYVJEVEUQHLGA-AWEZNQCLSA-N 1 0 386.304 2.944 20 0 GFADRO Cc1n[nH]c(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)c1Br ZINC000807739153 659863447 /nfs/dbraw/zinc/86/34/47/659863447.db2.gz JWJVCYKYXFKEQI-TZMCWYRMSA-N 1 0 377.286 2.873 20 0 GFADRO O=C(c1ccc(C2SCCCS2)cc1)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000808157366 659880173 /nfs/dbraw/zinc/88/01/73/659880173.db2.gz JCJIFTWPBJQHGZ-DLBZAZTESA-N 1 0 378.563 2.836 20 0 GFADRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1Cn1c2cc(Br)ccc2oc1=O ZINC000808193170 659881205 /nfs/dbraw/zinc/88/12/05/659881205.db2.gz VBDUMFQAAWTAFR-OCCSQVGLSA-N 1 0 380.286 2.873 20 0 GFADRO O=C(/C=C(\c1ccc(Cl)cc1)C(F)(F)F)N[C@@H](CO)C[NH+]1CCCC1 ZINC000808225216 659882867 /nfs/dbraw/zinc/88/28/67/659882867.db2.gz YTEIRXUIIYKVKD-UWZYDCLUSA-N 1 0 376.806 2.859 20 0 GFADRO CCS(=O)(=O)N1CCC([C@@H](C)[N@H+](C)Cc2cccc3nsnc32)CC1 ZINC000808776582 659905224 /nfs/dbraw/zinc/90/52/24/659905224.db2.gz XQFDHJOQUKNTER-CYBMUJFWSA-N 1 0 382.555 2.573 20 0 GFADRO CCS(=O)(=O)N1CCC([C@@H](C)[N@H+](C)C[C@H](O)c2ccc(Cl)cc2)CC1 ZINC000808775525 659905471 /nfs/dbraw/zinc/90/54/71/659905471.db2.gz DDSIISLSQUMZER-KDOFPFPSSA-N 1 0 388.961 2.755 20 0 GFADRO CC(C)(C)OC(=O)NC1CC([NH2+][C@H](C(N)=O)c2cccc(Br)c2)C1 ZINC000809657871 659935764 /nfs/dbraw/zinc/93/57/64/659935764.db2.gz VKSYSTHBPPRSIT-RUXDESIVSA-N 1 0 398.301 2.621 20 0 GFADRO OC[C@@H]([NH2+]C[C@@H](O)COc1ccc(Cl)cc1Br)C1CCCC1 ZINC000810115931 659962854 /nfs/dbraw/zinc/96/28/54/659962854.db2.gz RFBYSRCYHYFHCQ-UKRRQHHQSA-N 1 0 392.721 2.983 20 0 GFADRO Nc1nc(N2CCC[C@H](OC(=O)c3ccc(Br)cc3F)C2)cc[nH+]1 ZINC000810766642 659985098 /nfs/dbraw/zinc/98/50/98/659985098.db2.gz MKEFTNQUGFHCPG-NSHDSACASA-N 1 0 395.232 2.786 20 0 GFADRO O=C(CCNC(=O)c1ccc(Br)cc1)O[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000810844948 659988253 /nfs/dbraw/zinc/98/82/53/659988253.db2.gz ACLZYDRXSFNBJF-CVEARBPZSA-N 1 0 395.297 2.739 20 0 GFADRO O=C(Cc1cc2c(cc1Br)OCCO2)O[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000810839961 659988315 /nfs/dbraw/zinc/98/83/15/659988315.db2.gz CXYONYUMNIGZHQ-KBPBESRZSA-N 1 0 396.281 2.933 20 0 GFADRO CCN(C[C@@H](C)OC)CN1C(=O)C[C@@](C)(c2ccc(Br)cc2)C1=O ZINC000812303078 660023081 /nfs/dbraw/zinc/02/30/81/660023081.db2.gz KTERLHRTXORLGZ-ACJLOTCBSA-N 1 0 397.313 2.780 20 0 GFADRO Cn1cc(Br)c(C(=O)NC2CC[NH+](CC3CCCCC3)CC2)n1 ZINC000814648928 660093001 /nfs/dbraw/zinc/09/30/01/660093001.db2.gz YTOTTWPTEWTJQF-UHFFFAOYSA-N 1 0 383.334 2.957 20 0 GFADRO C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)Cc1ccnc(Br)c1 ZINC000815012818 660101150 /nfs/dbraw/zinc/10/11/50/660101150.db2.gz MYDWUXUIFBNILK-LLVKDONJSA-N 1 0 384.299 2.685 20 0 GFADRO Cc1cc2cc(S(=O)(=O)N3CC[C@@]4(CC[N@@H+](C)C4)C3)ccc2nc1Cl ZINC000815048183 660107065 /nfs/dbraw/zinc/10/70/65/660107065.db2.gz LTHRGBZSKXQXFP-GOSISDBHSA-N 1 0 379.913 2.913 20 0 GFADRO COC1(CO)CC[NH+](C[C@](C)(O)c2ccc(Br)cc2Cl)CC1 ZINC000815102362 660112191 /nfs/dbraw/zinc/11/21/91/660112191.db2.gz HKEDVOSPASFFRZ-HNNXBMFYSA-N 1 0 392.721 2.783 20 0 GFADRO COc1ccc2nc(Cl)ccc2c1S(=O)(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000817149743 660183979 /nfs/dbraw/zinc/18/39/79/660183979.db2.gz GWTPVBBINKBQQC-GFCCVEGCSA-N 1 0 383.901 2.612 20 0 GFADRO C[C@H](CN1C(=O)[C@H]2Cc3c(Br)cccc3CN2C1=O)[N@H+](C)C1CC1 ZINC000842240795 661329476 /nfs/dbraw/zinc/32/94/76/661329476.db2.gz VMIPGWTYBLIYGN-BDJLRTHQSA-N 1 0 392.297 2.621 20 0 GFADRO O=S(=O)(c1c(F)c(F)c(F)c(F)c1F)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000842482443 661341388 /nfs/dbraw/zinc/34/13/88/661341388.db2.gz RVSNCNDDWQCQLZ-IUCAKERBSA-N 1 0 384.370 2.535 20 0 GFADRO CC(C)[C@@H](C[NH2+]Cc1cc(Br)cnc1Cl)N1CCOCC1 ZINC000842665095 661347857 /nfs/dbraw/zinc/34/78/57/661347857.db2.gz NHMMDSDUHVGJRN-CQSZACIVSA-N 1 0 376.726 2.944 20 0 GFADRO O=C1[C@@H](c2nc([C@@H]3CCC[NH2+]C3)no2)CCN1c1cccc(Br)c1 ZINC000842664369 661347977 /nfs/dbraw/zinc/34/79/77/661347977.db2.gz CYVFRKROHQFZSB-BXUZGUMPSA-N 1 0 391.269 2.820 20 0 GFADRO O=S(=O)(/C=C\c1ccccc1Br)N(C1CC1)C1CC[NH2+]CC1 ZINC000842687960 661349433 /nfs/dbraw/zinc/34/94/33/661349433.db2.gz DSIPNIJGKKKBBD-XFXZXTDPSA-N 1 0 385.327 2.966 20 0 GFADRO COC(=O)c1cc(S(=O)(=O)N2CCCC[C@@H]2[C@H](C)[NH3+])c(Cl)cc1Cl ZINC000842690399 661349584 /nfs/dbraw/zinc/34/95/84/661349584.db2.gz SBHWZGWLDIJLHV-TVQRCGJNSA-N 1 0 395.308 2.670 20 0 GFADRO COc1ccc2nc(Cl)ccc2c1S(=O)(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000842699895 661349735 /nfs/dbraw/zinc/34/97/35/661349735.db2.gz RYPGRFNXPWCLFZ-RYUDHWBXSA-N 1 0 383.901 2.563 20 0 GFADRO CCCN([C@@H]1CC[NH2+]C1)S(=O)(=O)c1c(OC)ccc2nc(Cl)ccc21 ZINC000842709412 661350392 /nfs/dbraw/zinc/35/03/92/661350392.db2.gz ORADTEKISWVKKI-GFCCVEGCSA-N 1 0 383.901 2.659 20 0 GFADRO CC[C@@H]1CN(S(=O)(=O)c2cc(C(=O)OC)c(Cl)cc2Cl)CC[C@@H]1[NH3+] ZINC000842797008 661355017 /nfs/dbraw/zinc/35/50/17/661355017.db2.gz DCQIIBHZYZEMKW-RNCFNFMXSA-N 1 0 395.308 2.528 20 0 GFADRO CC(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@H]2[NH2+]CCc3ccccc32)c1 ZINC000842856984 661357380 /nfs/dbraw/zinc/35/73/80/661357380.db2.gz AXFJEYUAJPEPIT-QGZVFWFLSA-N 1 0 378.881 2.708 20 0 GFADRO O=S(=O)(c1c(Cl)ccnc1Cl)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000842875205 661358353 /nfs/dbraw/zinc/35/83/53/661358353.db2.gz MKMDAPBGLXLMQB-VXGBXAGGSA-N 1 0 378.325 2.789 20 0 GFADRO C[C@H]([NH2+]C[C@@H](O)COc1cccc(Br)c1)[C@H](O)c1ccccc1 ZINC000843062257 661365446 /nfs/dbraw/zinc/36/54/46/661365446.db2.gz NQDVDZZOGSMVLH-XCRHUMRWSA-N 1 0 380.282 2.901 20 0 GFADRO CC(C)COC[C@H](O)C[NH2+]C[C@@](C)(O)c1ccc(Br)cc1Cl ZINC000843064358 661365763 /nfs/dbraw/zinc/36/57/63/661365763.db2.gz ADMZNWJQSGDMFI-CZUORRHYSA-N 1 0 394.737 2.933 20 0 GFADRO COc1cccc([C@@H](O)C[NH2+]C[C@@H](O)c2ccc(F)c(Br)c2)c1 ZINC000843068282 661365926 /nfs/dbraw/zinc/36/59/26/661365926.db2.gz LYBFAKQYEZRTKY-DLBZAZTESA-N 1 0 384.245 2.953 20 0 GFADRO C[C@@](O)(C[NH2+]C[C@H](CO)c1cccnc1)c1ccc(Br)cc1F ZINC000843081296 661366709 /nfs/dbraw/zinc/36/67/09/661366709.db2.gz ATYTVGDLVIXVBR-CXAGYDPISA-N 1 0 383.261 2.556 20 0 GFADRO CC(C)(C)OC(=O)NCC[C@@H](O)C[NH2+]C[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000843080814 661366851 /nfs/dbraw/zinc/36/68/51/661366851.db2.gz JFNFQMODWXDYNH-HUUCEWRRSA-N 1 0 393.311 2.892 20 0 GFADRO O[C@H](C[NH2+]CC[C@@H](O)c1ccccc1)COc1cccc(Br)c1 ZINC000843087700 661367157 /nfs/dbraw/zinc/36/71/57/661367157.db2.gz KUWLYVYRLYQUJI-SJLPKXTDSA-N 1 0 380.282 2.902 20 0 GFADRO OC[C@H](Cc1ccc(F)cc1)[NH2+]C[C@H](O)c1ccc(F)c(Br)c1 ZINC000843097435 661367714 /nfs/dbraw/zinc/36/77/14/661367714.db2.gz ZEOCJUYAGNVBTA-YOEHRIQHSA-N 1 0 386.236 2.954 20 0 GFADRO O[C@@H](C[NH2+]C[C@@H](O)c1ccc(F)cc1)COc1ccc(Br)cc1 ZINC000843111480 661368750 /nfs/dbraw/zinc/36/87/50/661368750.db2.gz SMKURBWOLKHISK-DOTOQJQBSA-N 1 0 384.245 2.651 20 0 GFADRO O=C1[C@H](c2nc(C3CC[NH2+]CC3)no2)CCN1c1cccc(Br)c1 ZINC000843138516 661370563 /nfs/dbraw/zinc/37/05/63/661370563.db2.gz WMAQNDMZDRFMEH-AWEZNQCLSA-N 1 0 391.269 2.820 20 0 GFADRO C[NH2+]C[C@H](C)c1nc(Cc2cccc(F)c2I)no1 ZINC000843210492 661372967 /nfs/dbraw/zinc/37/29/67/661372967.db2.gz WLABKCJFKMPKTF-QMMMGPOBSA-N 1 0 375.185 2.727 20 0 GFADRO O=C(Cc1noc(C[C@H]2CSCC[NH2+]2)n1)Nc1c(Cl)cccc1Cl ZINC000843214309 661373183 /nfs/dbraw/zinc/37/31/83/661373183.db2.gz CYROCDLPUBDFON-VIFPVBQESA-N 1 0 387.292 2.805 20 0 GFADRO Brc1cccc(-c2nc(-c3noc(CC[C@@H]4CCC[NH2+]4)n3)n[nH]2)c1 ZINC000843228513 661374168 /nfs/dbraw/zinc/37/41/68/661374168.db2.gz SPQVRFKVKNZODN-LBPRGKRZSA-N 1 0 389.257 2.969 20 0 GFADRO [NH3+]CCCCCCc1nc(CNC(=O)c2ccc(Br)cc2)no1 ZINC000843229805 661374475 /nfs/dbraw/zinc/37/44/75/661374475.db2.gz FJQIDBYWGAYKFN-UHFFFAOYSA-N 1 0 381.274 2.824 20 0 GFADRO COc1ccc(Br)cc1[C@@H]1CCCN1C(=O)CO[C@@H]1CCC[NH2+]C1 ZINC000843416755 661380827 /nfs/dbraw/zinc/38/08/27/661380827.db2.gz WCCMDIUJDBJKDG-ZBFHGGJFSA-N 1 0 397.313 2.890 20 0 GFADRO C[C@H](C[C@@H](C)[NH2+]Cc1cc(Br)nn1C)NC(=O)OC(C)(C)C ZINC000843417294 661380904 /nfs/dbraw/zinc/38/09/04/661380904.db2.gz SVFAPNULBBAOPA-GHMZBOCLSA-N 1 0 375.311 2.964 20 0 GFADRO O=C(CO[C@@H]1CCC[NH2+]C1)NCc1cc(Cl)cc(Cl)c1OC(F)F ZINC000843447096 661381747 /nfs/dbraw/zinc/38/17/47/661381747.db2.gz AWKCTTHFNXFZQL-LLVKDONJSA-N 1 0 383.222 2.980 20 0 GFADRO COc1ccc(C(=O)NCCCCCC[NH3+])c(I)c1 ZINC000843512454 661383820 /nfs/dbraw/zinc/38/38/20/661383820.db2.gz LZVHYWUZECLYLD-UHFFFAOYSA-N 1 0 376.238 2.549 20 0 GFADRO O=C1CCc2cc(OC[C@H](O)C[NH2+]CCC[C@@H]3CC3(Cl)Cl)ccc2N1 ZINC000844280067 661412226 /nfs/dbraw/zinc/41/22/26/661412226.db2.gz UMYOLLQKNNQIGD-ZIAGYGMSSA-N 1 0 387.307 2.875 20 0 GFADRO CN(CCc1cnccn1)CN1CC(c2ccc(Br)cc2)=CC1=O ZINC000844697275 661435133 /nfs/dbraw/zinc/43/51/33/661435133.db2.gz GSUJLKUUXHJZTI-UHFFFAOYSA-N 1 0 387.281 2.597 20 0 GFADRO Brc1ccn(CN2CCO[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]32)n1 ZINC000844726610 661437190 /nfs/dbraw/zinc/43/71/90/661437190.db2.gz CWYMHCUQVGWHDB-IAGOWNOFSA-N 1 0 391.313 2.578 20 0 GFADRO C[C@@]1(CCNC(=O)N2CCC(CC[NH+]3CCOCC3)CC2)C[C@]1(F)Cl ZINC000845403080 661469366 /nfs/dbraw/zinc/46/93/66/661469366.db2.gz UYYIXAJHZOPFGC-QZTJIDSGSA-N 1 0 375.916 2.835 20 0 GFADRO C[C@@H](C[NH+]1CCCC1)OC(=O)c1ccc(N2CCCS2(=O)=O)cc1Cl ZINC000845665782 661485741 /nfs/dbraw/zinc/48/57/41/661485741.db2.gz JITLVMMMRNZUEP-ZDUSSCGKSA-N 1 0 386.901 2.521 20 0 GFADRO C[C@@H](C[NH+]1CCCC1)OC(=O)CCNC(=O)c1ccc(Br)cc1 ZINC000845672945 661488122 /nfs/dbraw/zinc/48/81/22/661488122.db2.gz SCSUFUZDNDHHTO-ZDUSSCGKSA-N 1 0 383.286 2.597 20 0 GFADRO CN1CC[NH+]([C@H]2CC[C@@H](NC(=O)c3snc(Cl)c3Cl)CC2)CC1 ZINC000845943319 661507874 /nfs/dbraw/zinc/50/78/74/661507874.db2.gz CQEZTNDMHVFMRO-PHIMTYICSA-N 1 0 377.341 2.738 20 0 GFADRO CC[N@H+](CCCNS(=O)(=O)c1c(C)nn(C)c1Cl)C1CCCCC1 ZINC000845971692 661513384 /nfs/dbraw/zinc/51/33/84/661513384.db2.gz IRBDXWJJMHBCEJ-UHFFFAOYSA-N 1 0 376.954 2.705 20 0 GFADRO C[NH+](C)CCc1ccc(NC(=O)C(=O)NCCC[C@@H]2CC2(Cl)Cl)cc1 ZINC000846180446 661536233 /nfs/dbraw/zinc/53/62/33/661536233.db2.gz RVINGIQXCXYKSO-CQSZACIVSA-N 1 0 386.323 2.819 20 0 GFADRO Cc1nc(Br)ccc1NC(=O)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000846307108 661544279 /nfs/dbraw/zinc/54/42/79/661544279.db2.gz NGPQSBTYEQHUQH-YDHLFZDLSA-N 1 0 397.317 2.903 20 0 GFADRO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCN(C(=O)Nc3cccc(Br)n3)C2)C1 ZINC000846309996 661544635 /nfs/dbraw/zinc/54/46/35/661544635.db2.gz DBLSMUOKBFBRKI-YNEHKIRRSA-N 1 0 383.290 2.594 20 0 GFADRO O=C([C@H]1CCOc2ccc(Br)cc21)N1CCC2(C1)CC[NH2+]CC2 ZINC000846676228 661561746 /nfs/dbraw/zinc/56/17/46/661561746.db2.gz VRVTYAIJIRZJLC-AWEZNQCLSA-N 1 0 379.298 2.917 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(C(=O)/C=C/c3ccc(Br)o3)C2)C1 ZINC000846690297 661561973 /nfs/dbraw/zinc/56/19/73/661561973.db2.gz QDZCOLMNIUPMCY-VJQONSJVSA-N 1 0 383.286 2.800 20 0 GFADRO Cc1ccc(-n2nc(Br)cc2C(=O)NCCC2(C[NH3+])CC2)cc1 ZINC000846691236 661561983 /nfs/dbraw/zinc/56/19/83/661561983.db2.gz FHYITFDCUSXQOI-UHFFFAOYSA-N 1 0 377.286 2.802 20 0 GFADRO Cc1ccc(NC(=O)N2CCC[C@@H]([NH+]3CCOCC3)CC2)c(Br)n1 ZINC000847158530 661577746 /nfs/dbraw/zinc/57/77/46/661577746.db2.gz ODDSQNLUUGHLSS-CQSZACIVSA-N 1 0 397.317 2.871 20 0 GFADRO O=C(NC[C@H](O)c1ccccc1Br)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000847446218 661592775 /nfs/dbraw/zinc/59/27/75/661592775.db2.gz DXKOOBXIJVBGEE-ULQDDVLXSA-N 1 0 396.329 2.799 20 0 GFADRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)c1cnc(Cl)c(Br)c1 ZINC000847446924 661592802 /nfs/dbraw/zinc/59/28/02/661592802.db2.gz UMXACXJGKFLWCI-GFCCVEGCSA-N 1 0 390.709 2.680 20 0 GFADRO C[NH+](C)CCN(Cc1ccccn1)C(=O)c1cnc(F)c(Br)c1 ZINC000847456371 661593308 /nfs/dbraw/zinc/59/33/08/661593308.db2.gz LRERBLLZPGKECZ-UHFFFAOYSA-N 1 0 381.249 2.582 20 0 GFADRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)Nc2ccccc2SC(F)(F)F)C1 ZINC000847567931 661598452 /nfs/dbraw/zinc/59/84/52/661598452.db2.gz UIBQCEQBNSVANE-PHIMTYICSA-N 1 0 375.416 2.693 20 0 GFADRO C[C@@H](NC(=O)c1ccn(CC[NH+](C)C)n1)[C@H](O)c1c(Cl)cccc1Cl ZINC000847594535 661600528 /nfs/dbraw/zinc/60/05/28/661600528.db2.gz NCEFLQAMYFTTQX-BZNIZROVSA-N 1 0 385.295 2.603 20 0 GFADRO O=C([C@@H]1C[C@@]12CCC[NH2+]C2)N1CCO[C@@H](c2ccccc2Br)C1 ZINC000848398251 661645800 /nfs/dbraw/zinc/64/58/00/661645800.db2.gz RYVBGTSBEOYYTR-YXJHDRRASA-N 1 0 379.298 2.739 20 0 GFADRO Cc1nn(-c2ccccc2Br)cc1C[NH2+]C[C@H](O)C(F)(F)F ZINC000848530217 661662145 /nfs/dbraw/zinc/66/21/45/661662145.db2.gz XNQKPYAVNZSTPI-ZDUSSCGKSA-N 1 0 378.192 2.956 20 0 GFADRO Cn1c(Cl)ncc1C[NH2+]CCOc1ccc(I)cc1 ZINC000848551490 661663679 /nfs/dbraw/zinc/66/36/79/661663679.db2.gz NVVRICWXOWUMBE-UHFFFAOYSA-N 1 0 391.640 2.847 20 0 GFADRO [NH3+]CC12CCC(CC1)CN2S(=O)(=O)/C=C/c1cccc(Br)c1 ZINC000848601685 661667028 /nfs/dbraw/zinc/66/70/28/661667028.db2.gz GQNUIHWPIFGBFZ-RMKNXTFCSA-N 1 0 385.327 2.953 20 0 GFADRO Cc1cccc([C@@H]2C(=O)NCCN2C[C@@H](O)c2ccc(Br)cc2)c1 ZINC000848950802 661690063 /nfs/dbraw/zinc/69/00/63/661690063.db2.gz KRDMKSHOFJBACT-QZTJIDSGSA-N 1 0 389.293 2.964 20 0 GFADRO COc1ccc(C[C@@H](CO)CNC(=[NH2+])Nc2ccccn2)cc1Br ZINC000849115080 661692921 /nfs/dbraw/zinc/69/29/21/661692921.db2.gz DVQYRMLAWLRDOS-CYBMUJFWSA-N 1 0 393.285 2.640 20 0 GFADRO O[C@@H]1CC[N@H+](Cc2ccc(CNC(=S)Nc3ccc(Cl)nc3)cc2)C1 ZINC000849280512 661702243 /nfs/dbraw/zinc/70/22/43/661702243.db2.gz DSWFLXPWIUWULS-MRXNPFEDSA-N 1 0 376.913 2.788 20 0 GFADRO C[C@@H]1CCC[N@H+](CCN2C(=O)N[C@@H](c3ccccc3Br)C2=O)C1 ZINC000849351605 661708550 /nfs/dbraw/zinc/70/85/50/661708550.db2.gz JILVOTGVYKUSNL-DOMZBBRYSA-N 1 0 380.286 2.774 20 0 GFADRO CC[N@@H+]1CCCC[C@@H]1CN1C(=O)N[C@H](c2ccccc2Br)C1=O ZINC000849355094 661709035 /nfs/dbraw/zinc/70/90/35/661709035.db2.gz YYWRFTFIFILKCA-IUODEOHRSA-N 1 0 380.286 2.916 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@@H](CNS(=O)(=O)c2ccc3nc(Cl)cnc3c2)C1 ZINC000849411599 661718183 /nfs/dbraw/zinc/71/81/83/661718183.db2.gz OURDLDGFKIJEDL-LBPRGKRZSA-N 1 0 382.917 2.682 20 0 GFADRO Cn1cc([C@H]2C[N@H+](C)CC[C@H]2C(=O)Nc2ccc(Br)c(F)c2)cn1 ZINC000849557083 661734295 /nfs/dbraw/zinc/73/42/95/661734295.db2.gz YNELJYJWRKBRNG-ZIAGYGMSSA-N 1 0 395.276 2.996 20 0 GFADRO Cc1nc(Br)ccc1NC(=O)[C@@H]1CC[N@@H+](C)C[C@H]1c1cnn(C)c1 ZINC000849574037 661734821 /nfs/dbraw/zinc/73/48/21/661734821.db2.gz VOZGBZKFMSTEKS-KGLIPLIRSA-N 1 0 392.301 2.560 20 0 GFADRO COC(=O)N(C)CC[NH2+]Cc1cn(-c2ccccc2Br)nc1C ZINC000850389814 661773844 /nfs/dbraw/zinc/77/38/44/661773844.db2.gz IAXVHWGMCXFKLJ-UHFFFAOYSA-N 1 0 381.274 2.731 20 0 GFADRO CCNS(=O)(=O)CC[NH2+][C@H](Cc1ccc(Br)cc1)C(C)C ZINC000850444600 661776375 /nfs/dbraw/zinc/77/63/75/661776375.db2.gz YKSYMSJMMOYZIS-OAHLLOKOSA-N 1 0 377.348 2.545 20 0 GFADRO C[C@H](CC[S@@](C)=O)[NH2+][C@H]1CCN(C(=O)C(F)(F)F)Cc2ccccc21 ZINC000850445241 661776467 /nfs/dbraw/zinc/77/64/67/661776467.db2.gz QNQTZVHHHWPJKB-LZDXOUMISA-N 1 0 376.444 2.769 20 0 GFADRO C[C@@H]([NH2+]CC[S@@](=O)CC(F)(F)F)c1ccc(NC(=O)NC2CC2)cc1 ZINC000850491431 661778698 /nfs/dbraw/zinc/77/86/98/661778698.db2.gz OJXIAJRHDSGDOH-SSINHNECSA-N 1 0 377.432 2.932 20 0 GFADRO COc1cc(S(=O)(=O)NC[C@H]([NH3+])c2ccc(C(C)C)cc2)cnc1Cl ZINC000850583039 661782049 /nfs/dbraw/zinc/78/20/49/661782049.db2.gz YGBZBCLPRRINMV-HNNXBMFYSA-N 1 0 383.901 2.845 20 0 GFADRO CN(C1CCC([NH3+])CC1)S(=O)(=O)Cc1cc(F)ccc1Br ZINC000850584808 661782113 /nfs/dbraw/zinc/78/21/13/661782113.db2.gz QVCFMRIPPPIQOD-UHFFFAOYSA-N 1 0 379.295 2.620 20 0 GFADRO Cn1c(Cl)cnc1-c1csc(NC(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)n1 ZINC000850754412 661790428 /nfs/dbraw/zinc/79/04/28/661790428.db2.gz PGQBLJLHVGYYTC-HBNTYKKESA-N 1 0 380.905 2.707 20 0 GFADRO C[NH2+]C[C@@H](C)NC(=O)C(=O)Nc1ccccc1SC[C@H]1CC1(Cl)Cl ZINC000850867642 661793864 /nfs/dbraw/zinc/79/38/64/661793864.db2.gz PONJYOFPBLJMTC-GHMZBOCLSA-N 1 0 390.336 2.635 20 0 GFADRO C[C@]1(C(=O)Nc2ccc(OCC[NH3+])cc2)CC1(Br)Br ZINC000851634526 661826951 /nfs/dbraw/zinc/82/69/51/661826951.db2.gz HPSXHGZHNZLUMH-GFCCVEGCSA-N 1 0 392.091 2.859 20 0 GFADRO O[C@@H](C[C@@H]1CCC[N@@H+]1CCn1cnc(Br)n1)c1ccc(F)cc1 ZINC000851862383 661839846 /nfs/dbraw/zinc/83/98/46/661839846.db2.gz YYFNVGDDDCIWCV-GJZGRUSLSA-N 1 0 383.265 2.768 20 0 GFADRO C[C@@H]([NH2+]CCn1cnc(Br)n1)c1ccc(NC(=O)C2CC2)cc1 ZINC000851895064 661844088 /nfs/dbraw/zinc/84/40/88/661844088.db2.gz AWUAAPYRHRJJDL-LLVKDONJSA-N 1 0 378.274 2.740 20 0 GFADRO CCOP(=O)(OCC)[C@@H](O)C[N@@H+]1CCN(C(=O)C(C)(C)C)CC1(C)C ZINC000851908889 661845767 /nfs/dbraw/zinc/84/57/67/661845767.db2.gz WFHXJZKPDLJPEQ-CQSZACIVSA-N 1 0 378.450 2.540 20 0 GFADRO CCOP(=O)(OCC)[C@H](O)C[NH2+][C@@H](CO)c1cccc(Br)c1 ZINC000851918868 661845977 /nfs/dbraw/zinc/84/59/77/661845977.db2.gz KQTOXUATHXQQEC-KBPBESRZSA-N 1 0 396.218 2.657 20 0 GFADRO COC(=O)N1CCC[C@H]([C@H](C)[NH2+]Cc2cc(Br)cnc2OC)C1 ZINC000851950433 661846899 /nfs/dbraw/zinc/84/68/99/661846899.db2.gz PBEUNKARIAKLLR-RYUDHWBXSA-N 1 0 386.290 2.809 20 0 GFADRO Clc1ccc(C[C@]2([NH2+]CCn3cnc(Br)n3)CCOC2)cc1 ZINC000852014403 661849251 /nfs/dbraw/zinc/84/92/51/661849251.db2.gz OTCFQCVQHPLQNX-OAHLLOKOSA-N 1 0 385.693 2.685 20 0 GFADRO C[C@]12CC[N@H+](C[C@H]3COC(C)(C)O3)C[C@H]1C2(Br)Br ZINC000852337210 661861498 /nfs/dbraw/zinc/86/14/98/661861498.db2.gz LCQAJNMUCLDYLZ-UMNHJUIQSA-N 1 0 383.124 2.966 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)NC[C@@H](O)c2ccccc2Br)C1 ZINC000852468822 661865400 /nfs/dbraw/zinc/86/54/00/661865400.db2.gz QWLAOHLUXCMHGQ-SWLSCSKDSA-N 1 0 384.318 2.655 20 0 GFADRO C[C@@H]1[C@@H](c2ccc(Br)cc2)OCCN1C[C@@H](O)C[NH+]1CCCC1 ZINC000852468782 661865419 /nfs/dbraw/zinc/86/54/19/661865419.db2.gz UPDRYCVYDIKGKL-JLSDUUJJSA-N 1 0 383.330 2.668 20 0 GFADRO C[C@@H]1CCC[N@H+](CCCS(C)(=O)=O)[C@@H]1CCCNC(=O)OC(C)(C)C ZINC000852597881 661867645 /nfs/dbraw/zinc/86/76/45/661867645.db2.gz JZTJYICYKLSUSG-HZPDHXFCSA-N 1 0 376.563 2.827 20 0 GFADRO COC(=O)[C@@H](c1cccc(Cl)c1Cl)N(C)C[C@H](O)C[NH+]1CCCC1 ZINC000852690908 661871360 /nfs/dbraw/zinc/87/13/60/661871360.db2.gz BFZGJESHYXMSAB-BLLLJJGKSA-N 1 0 375.296 2.596 20 0 GFADRO CC(C)[C@@H]([NH2+]Cc1nnnn1CC(F)(F)F)[C@H](O)c1ccc(Cl)cc1 ZINC000852728865 661872447 /nfs/dbraw/zinc/87/24/47/661872447.db2.gz ICOPBINAQLQELC-ZIAGYGMSSA-N 1 0 377.798 2.737 20 0 GFADRO CCOc1c(Br)cc(Cl)cc1NC(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852806971 661874809 /nfs/dbraw/zinc/87/48/09/661874809.db2.gz NGXBVJNZSKFWGJ-QMMMGPOBSA-N 1 0 376.638 2.543 20 0 GFADRO O=C(C=C1CC[NH2+]CC1)NC[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000852862721 661875846 /nfs/dbraw/zinc/87/58/46/661875846.db2.gz KOGREUXKPUEILO-OAHLLOKOSA-N 1 0 378.314 2.701 20 0 GFADRO C[C@@H]1CN(C(=O)c2cnn(-c3ccccc3)c2Br)C[C@@]1(C)C[NH3+] ZINC000852891336 661876468 /nfs/dbraw/zinc/87/64/68/661876468.db2.gz QHQAKCNWJVRMAQ-SJKOYZFVSA-N 1 0 377.286 2.692 20 0 GFADRO [NH3+]CC[C@H](NC(=O)c1cnn(-c2ccccc2)c1Br)C(F)(F)F ZINC000852882515 661876475 /nfs/dbraw/zinc/87/64/75/661876475.db2.gz JZDIVKZVJBYHDW-NSHDSACASA-N 1 0 391.191 2.644 20 0 GFADRO C[C@@H]1CCCN(C(=O)CN2C(=S)N=NC2c2cccs2)[C@@H]1CCC[NH3+] ZINC000852912397 661877159 /nfs/dbraw/zinc/87/71/59/661877159.db2.gz KHSVRRMKOPTVSI-CHWSQXEVSA-N 1 0 379.555 2.661 20 0 GFADRO COc1ccc(C[NH2+]C[C@@H](O)c2ccccc2OC)c(Br)c1O ZINC000853091984 661882155 /nfs/dbraw/zinc/88/21/55/661882155.db2.gz GJPOLDLMAHLMNV-CYBMUJFWSA-N 1 0 382.254 2.995 20 0 GFADRO Cc1ccc(C[C@H](CO)C[NH2+]C[C@H](O)c2ccccn2)cc1Br ZINC000853110738 661882662 /nfs/dbraw/zinc/88/26/62/661882662.db2.gz KINCMXFLNFUQOA-YJBOKZPZSA-N 1 0 379.298 2.627 20 0 GFADRO O[C@@H](C[NH2+]CCc1ccc(I)cc1)c1ccc(F)cn1 ZINC000853117716 661882809 /nfs/dbraw/zinc/88/28/09/661882809.db2.gz BBVLCMRDIXLLGN-HNNXBMFYSA-N 1 0 386.208 2.691 20 0 GFADRO O=C1CC[C@@H]2C[N@H+](Cn3cc(-c4ccc(Br)cc4)cn3)CC[C@H]2N1 ZINC000853560991 661892556 /nfs/dbraw/zinc/89/25/56/661892556.db2.gz YRNOSMGINZXYON-RHSMWYFYSA-N 1 0 389.297 2.871 20 0 GFADRO C[NH+](C)CCC[C@@H]1CN(Cn2nc(Cc3cccs3)oc2=S)CCO1 ZINC000853624610 661895527 /nfs/dbraw/zinc/89/55/27/661895527.db2.gz KTQZGRCRANQYJR-CQSZACIVSA-N 1 0 382.555 2.858 20 0 GFADRO Cn1nc(Br)c2c1ncnc2NC[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000853979655 661909873 /nfs/dbraw/zinc/90/98/73/661909873.db2.gz SVCYFTRGDOUFBO-CYBMUJFWSA-N 1 0 387.285 2.812 20 0 GFADRO C[C@@]1(CCNC(=O)N2CCC[C@@H]([NH+]3CCOCC3)CC2)CC1(Cl)Cl ZINC000854113905 661914985 /nfs/dbraw/zinc/91/49/85/661914985.db2.gz UFZZWQUTFHICTK-GDBMZVCRSA-N 1 0 378.344 2.857 20 0 GFADRO CCOC(=O)[C@H]1NCC[C@@H]1[NH2+]CC1(Cc2ccc(Br)cc2)CC1 ZINC000854229284 661919567 /nfs/dbraw/zinc/91/95/67/661919567.db2.gz JXTMPYTWYPXDDX-HOTGVXAUSA-N 1 0 381.314 2.655 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2Cc3cc(Br)ccc3O2)C1 ZINC000855161821 661974346 /nfs/dbraw/zinc/97/43/46/661974346.db2.gz SFTMUNQQJICDAT-LRDDRELGSA-N 1 0 381.314 2.989 20 0 GFADRO CC[N@H+](Cc1ccc(C(=O)NCC[S@@](=O)CC(F)(F)F)cc1)C(C)C ZINC000855274976 661981192 /nfs/dbraw/zinc/98/11/92/661981192.db2.gz HBRPJFJCJCJYHD-RUZDIDTESA-N 1 0 378.460 2.958 20 0 GFADRO Cn1ncc(C(=O)N2CC[C@@H]([N@H+](C)CCc3ccccc3)C2)c1Br ZINC000855735689 662005752 /nfs/dbraw/zinc/00/57/52/662005752.db2.gz VJJUKXCKLMZSGZ-OAHLLOKOSA-N 1 0 391.313 2.572 20 0 GFADRO CS(=O)(=O)c1cc(C(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)ccc1Cl ZINC000855810740 662009042 /nfs/dbraw/zinc/00/90/42/662009042.db2.gz GDOCVEAIDNUVDS-AWEZNQCLSA-N 1 0 384.929 2.880 20 0 GFADRO C[NH+](C)C1(C(=O)Nc2nc3cc(I)ccc3[nH]2)CCC1 ZINC000856204176 662024667 /nfs/dbraw/zinc/02/46/67/662024667.db2.gz WEIUHWYMRSJQHX-UHFFFAOYSA-N 1 0 384.221 2.590 20 0 GFADRO CC[C@@H]1CN(C(=O)c2nc(Br)ccc2Br)C[C@H](C)[NH2+]1 ZINC000856407856 662032167 /nfs/dbraw/zinc/03/21/67/662032167.db2.gz DPAXDGKKCGNUOT-DTWKUNHWSA-N 1 0 391.107 2.819 20 0 GFADRO C[NH+](C)CCC[C@@H]1CN(C(=O)C[C@@H](O)c2cc(Cl)cc(Cl)c2)CCO1 ZINC000856428733 662033392 /nfs/dbraw/zinc/03/33/92/662033392.db2.gz DMGRBSXRPJAGBB-IAGOWNOFSA-N 1 0 389.323 2.986 20 0 GFADRO O=C(NC[C@H]1CCC[N@H+](CC2CC2)C1)C(=O)c1ccc(Br)s1 ZINC000856476495 662035277 /nfs/dbraw/zinc/03/52/77/662035277.db2.gz XREQWFANOLCQJO-GFCCVEGCSA-N 1 0 385.327 2.932 20 0 GFADRO COC(=O)N1CCC([C@@H](C)[NH2+]Cc2cc(OC)ncc2Br)CC1 ZINC000856735961 662039892 /nfs/dbraw/zinc/03/98/92/662039892.db2.gz JFSXGDRMPACHPK-LLVKDONJSA-N 1 0 386.290 2.809 20 0 GFADRO C[NH+]1CCN(c2ccc(NC(=O)c3cc(Br)c[nH]c3=O)cc2)CC1 ZINC000856772534 662043424 /nfs/dbraw/zinc/04/34/24/662043424.db2.gz WVRKBALSOXCSAT-UHFFFAOYSA-N 1 0 391.269 2.554 20 0 GFADRO CCOC(=O)C1CCN(C(=O)C[C@@H](C)[NH2+]CC[C@H]2CC2(Cl)Cl)CC1 ZINC000857065540 662062378 /nfs/dbraw/zinc/06/23/78/662062378.db2.gz QKMCDJWASVAJPD-OCCSQVGLSA-N 1 0 379.328 2.740 20 0 GFADRO CC(C)[N@@H+]1CC[C@H](C(=O)NCC[C@@H]2CC2(Cl)Cl)[C@H](c2cnn(C)c2)C1 ZINC000857372277 662076511 /nfs/dbraw/zinc/07/65/11/662076511.db2.gz SCSYQPFZPYDCQM-PMPSAXMXSA-N 1 0 387.355 2.934 20 0 GFADRO O=C(NCCC[NH2+][C@@H]1CCCc2cn[nH]c21)c1cccc(Br)c1 ZINC000857851811 662092259 /nfs/dbraw/zinc/09/22/59/662092259.db2.gz HAUBXJGNCOYDBW-OAHLLOKOSA-N 1 0 377.286 2.959 20 0 GFADRO C[NH+](C)[C@@H]1CCc2cc(Br)ccc2N(C(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC000857880056 662093132 /nfs/dbraw/zinc/09/31/32/662093132.db2.gz AVHULSSONUWFRX-AIANPOQGSA-N 1 0 379.298 2.551 20 0 GFADRO CCC(=O)N[C@@H](C)C(=O)N1C[C@H]([NH+](C)C)CCc2cc(Br)ccc21 ZINC000857881183 662093381 /nfs/dbraw/zinc/09/33/81/662093381.db2.gz RNBYDOHPWWJNBC-SWLSCSKDSA-N 1 0 396.329 2.573 20 0 GFADRO C[NH+](C)[C@H]1CCc2cc(Br)ccc2N(C(=O)C[C@H]2COC(=O)C2)C1 ZINC000857880886 662093408 /nfs/dbraw/zinc/09/34/08/662093408.db2.gz NXWBKRPUTPCFPC-DOMZBBRYSA-N 1 0 395.297 2.612 20 0 GFADRO CCC(=O)N[C@H](C)C(=O)N1C[C@@H]([NH+](C)C)CCc2cc(Br)ccc21 ZINC000857881178 662093409 /nfs/dbraw/zinc/09/34/09/662093409.db2.gz RNBYDOHPWWJNBC-DOMZBBRYSA-N 1 0 396.329 2.573 20 0 GFADRO COCO[C@H](C)c1cc(F)c(C[NH2+]C[C@@H]2COCCO2)cc1Br ZINC000858100337 662098607 /nfs/dbraw/zinc/09/86/07/662098607.db2.gz DOCQAYHTRUVYDF-DGCLKSJQSA-N 1 0 392.265 2.775 20 0 GFADRO Cn1cc(C[NH2+]CCc2ccn(-c3ccc(F)cc3)n2)c(Br)n1 ZINC000858147033 662101434 /nfs/dbraw/zinc/10/14/34/662101434.db2.gz GBFJBBDJNHIDQM-UHFFFAOYSA-N 1 0 378.249 2.840 20 0 GFADRO COCO[C@@H](C)c1cc(F)c(C[NH2+]C2COCCOC2)cc1Br ZINC000858169211 662102647 /nfs/dbraw/zinc/10/26/47/662102647.db2.gz ZCHHYXZNQSQSDO-NSHDSACASA-N 1 0 392.265 2.775 20 0 GFADRO COc1ccc(C[C@@H](CO)C[NH2+]Cc2ccnc(F)c2)cc1Br ZINC000858174716 662103351 /nfs/dbraw/zinc/10/33/51/662103351.db2.gz UPAHEVOWVLMAOF-CQSZACIVSA-N 1 0 383.261 2.933 20 0 GFADRO CON(C)C(=O)[C@@H](C)[NH2+][C@@H](C)CCc1ccc(I)cc1 ZINC000858587772 662115698 /nfs/dbraw/zinc/11/56/98/662115698.db2.gz RIRFQJWXLIOMNE-NWDGAFQWSA-N 1 0 390.265 2.610 20 0 GFADRO CC[C@@H]([NH2+][C@H](C)C(=O)N(C)OC)c1ccc(I)cc1 ZINC000858587447 662115704 /nfs/dbraw/zinc/11/57/04/662115704.db2.gz RABBWLPKXBJCKG-ZWNOBZJWSA-N 1 0 376.238 2.740 20 0 GFADRO COC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](C)[C@H]2CC[NH3+])cc1Cl ZINC000858616312 662116620 /nfs/dbraw/zinc/11/66/20/662116620.db2.gz RYKDQSOCRNUXFV-XHDPSFHLSA-N 1 0 389.905 2.656 20 0 GFADRO C[C@H]([NH3+])CN(C)S(=O)(=O)c1cc(Cl)c(Cl)cc1Br ZINC000858640212 662117618 /nfs/dbraw/zinc/11/76/18/662117618.db2.gz NUHHRIPXRPEGNX-LURJTMIESA-N 1 0 376.103 2.724 20 0 GFADRO O=C1Nc2ccc(Br)cc2CC[C@@H]1[NH+]1CCC(C2OCCO2)CC1 ZINC000859115126 662138619 /nfs/dbraw/zinc/13/86/19/662138619.db2.gz SIEQXSKJXSFIID-INIZCTEOSA-N 1 0 395.297 2.787 20 0 GFADRO C[NH+](C)CCN(Cc1ccccn1)C(=O)c1cc(Br)cc(C=O)c1 ZINC000859265984 662148847 /nfs/dbraw/zinc/14/88/47/662148847.db2.gz UTMLAFJHZHFPTJ-UHFFFAOYSA-N 1 0 390.281 2.861 20 0 GFADRO CC[NH+]1CCN([C@H](C)CNC(=O)/C=C\c2csc(C(F)(F)F)c2)CC1 ZINC000859355345 662155787 /nfs/dbraw/zinc/15/57/87/662155787.db2.gz KBQVJBUDMMSAMW-DSYXLKISSA-N 1 0 375.460 2.922 20 0 GFADRO O[C@@H](COc1ccc(Cl)cc1Cl)C[NH+]1CCC(N2CCOCC2)CC1 ZINC000859358292 662156305 /nfs/dbraw/zinc/15/63/05/662156305.db2.gz ZWBCLPKWHITTME-MRXNPFEDSA-N 1 0 389.323 2.530 20 0 GFADRO OC[C@]1([NH2+]C[C@@H](O)c2ccccc2)CCc2cc(Br)ccc2C1 ZINC000859572620 662167934 /nfs/dbraw/zinc/16/79/34/662167934.db2.gz SBNGIRLCLLOKLE-MOPGFXCFSA-N 1 0 376.294 2.992 20 0 GFADRO C[C@H]1CC[C@H](NC(=O)Nc2cnc(Br)c(Br)c2)C[NH2+]1 ZINC000859660772 662171444 /nfs/dbraw/zinc/17/14/44/662171444.db2.gz STPRVGCGFSAFKF-YUMQZZPRSA-N 1 0 392.095 2.869 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)Nc2ccc(Br)nc2)CC[C@H]1C(F)(F)F ZINC000859663562 662171696 /nfs/dbraw/zinc/17/16/96/662171696.db2.gz RASPMABKXCRNJL-PSASIEDQSA-N 1 0 381.196 2.835 20 0 GFADRO C[N@H+](CCOCCNC(=O)OC(C)(C)C)Cc1cccc(Br)n1 ZINC000859861301 662176735 /nfs/dbraw/zinc/17/67/35/662176735.db2.gz MHEFXSOJQDTDQM-UHFFFAOYSA-N 1 0 388.306 2.817 20 0 GFADRO O=C1[C@H]([NH2+][C@@H](CCO)c2cc(Cl)cc(Cl)c2)CCN1C1CCOCC1 ZINC000860046637 662184274 /nfs/dbraw/zinc/18/42/74/662184274.db2.gz BMYFUQAJDQVUSY-DLBZAZTESA-N 1 0 387.307 2.786 20 0 GFADRO C[C@H](NCC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)c1ccns1 ZINC000860057460 662185284 /nfs/dbraw/zinc/18/52/84/662185284.db2.gz SUGRZFKJURHFCS-AWEZNQCLSA-N 1 0 376.551 2.981 20 0 GFADRO Cn1nc(Cl)c(C(=O)Nc2ccc(N3CC[C@@H]([NH+](C)C)C3)cn2)c1Cl ZINC000860299223 662196502 /nfs/dbraw/zinc/19/65/02/662196502.db2.gz FQYUNTUJTCOQHK-LLVKDONJSA-N 1 0 383.283 2.515 20 0 GFADRO CO[C@H]1C[N@H+](C)[C@](C)(COC(=O)c2cccc(I)c2)C1 ZINC000861339821 662241383 /nfs/dbraw/zinc/24/13/83/662241383.db2.gz WWUHMNPXMVADMJ-HIFRSBDPSA-N 1 0 389.233 2.557 20 0 GFADRO CO[C@H]1C[N@H+](C)[C@](C)(COC(=O)c2csc(I)c2)C1 ZINC000861349254 662241712 /nfs/dbraw/zinc/24/17/12/662241712.db2.gz YJCPDIHYTUIFJJ-MFKMUULPSA-N 1 0 395.262 2.619 20 0 GFADRO O=C(NCc1ccc(Br)c(F)c1F)N[C@@H]1C[NH2+]CCC1(F)F ZINC000861646625 662253249 /nfs/dbraw/zinc/25/32/49/662253249.db2.gz SUQHURKIYIYBNA-SECBINFHSA-N 1 0 384.171 2.524 20 0 GFADRO COCO[C@@H](C)c1cc(F)c(CN2C[C@H]3C[NH2+]C[C@H]3C2)cc1Br ZINC000862252084 662277864 /nfs/dbraw/zinc/27/78/64/662277864.db2.gz CPCSMXMWQGKBQQ-FPMFFAJLSA-N 1 0 387.293 2.921 20 0 GFADRO CN(CC[NH2+]C[C@H]1CC(F)(F)CN1C(=O)OC(C)(C)C)CC(F)(F)F ZINC000862279977 662279306 /nfs/dbraw/zinc/27/93/06/662279306.db2.gz VHAYEBVDYABJPR-LLVKDONJSA-N 1 0 375.382 2.715 20 0 GFADRO CCOC(=O)C1=CC[C@H]([NH2+]Cc2ccc(C(=O)OC)cc2Br)C1 ZINC000862489114 662289013 /nfs/dbraw/zinc/28/90/13/662289013.db2.gz ZWMXRLNRUIOKPK-AWEZNQCLSA-N 1 0 382.254 2.977 20 0 GFADRO CC1([NH+]2CCOCC2)CCN(C(=S)NCCSc2ccccc2)CC1 ZINC000863224737 662316038 /nfs/dbraw/zinc/31/60/38/662316038.db2.gz AHBQWCGQTXESOM-UHFFFAOYSA-N 1 0 379.595 2.840 20 0 GFADRO CCN1C(=O)CN(C[N@@H+]2C[C@H](c3ccc(Br)cc3)C[C@H]2C)C1=O ZINC000863323677 662320692 /nfs/dbraw/zinc/32/06/92/662320692.db2.gz RGDSFZXGMJXQCZ-TZMCWYRMSA-N 1 0 380.286 2.869 20 0 GFADRO C[C@](O)(C[NH2+][C@@H]1CCN(C2CCC2)C1=O)c1ccc(Br)cc1F ZINC000863591222 662339892 /nfs/dbraw/zinc/33/98/92/662339892.db2.gz VXPGPLICOYMTDD-WBVHZDCISA-N 1 0 385.277 2.539 20 0 GFADRO Cn1cc(C[NH2+]CC2([C@@H]3CCCCO3)CCC2)c(I)n1 ZINC000864052440 662352429 /nfs/dbraw/zinc/35/24/29/662352429.db2.gz LHQWOAMXPBLNSW-ZDUSSCGKSA-N 1 0 389.281 2.854 20 0 GFADRO CSCCCNC(=S)C(C(=O)c1ccoc1)[n+]1ccc(N(C)C)cc1 ZINC000864373598 662368512 /nfs/dbraw/zinc/36/85/12/662368512.db2.gz RZGAEOUSYJCLEF-UHFFFAOYSA-O 1 0 378.543 2.667 20 0 GFADRO Cc1nn(C)c(Cl)c1Cn1cc([C@H]([NH3+])c2ccc(Br)cc2)nn1 ZINC000864637496 662382095 /nfs/dbraw/zinc/38/20/95/662382095.db2.gz OGKMFHGBSKAECO-CQSZACIVSA-N 1 0 395.692 2.832 20 0 GFADRO CC[NH+](CC)[C@@H](CNC(=O)[C@@H]1OCCO[C@@H]1C(F)(F)F)c1ccsc1 ZINC000864866471 662389222 /nfs/dbraw/zinc/38/92/22/662389222.db2.gz VPCOYULWPNDLBF-MJBXVCDLSA-N 1 0 380.432 2.594 20 0 GFADRO O=C(N[C@H]1CC[N@@H+](C2CC2)C1)c1cc(Br)ncc1Br ZINC000865007699 662394633 /nfs/dbraw/zinc/39/46/33/662394633.db2.gz VRWMLBVYGKGVKW-QMMMGPOBSA-N 1 0 389.091 2.573 20 0 GFADRO O=C(c1ccc(I)cc1O)N1CCC[C@@H](c2ncc[nH]2)C1 ZINC000865140374 662400773 /nfs/dbraw/zinc/40/07/73/662400773.db2.gz FFHWZRAEGBMZKG-SNVBAGLBSA-N 1 0 397.216 2.740 20 0 GFADRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)c1nc(Br)sc1Cl ZINC000865177482 662402502 /nfs/dbraw/zinc/40/25/02/662402502.db2.gz HUFJGYNTQQABGG-SECBINFHSA-N 1 0 396.738 2.742 20 0 GFADRO COCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2[C@@H]3Cc4ccc(Br)cc4[C@@H]32)C1 ZINC000865195365 662403747 /nfs/dbraw/zinc/40/37/47/662403747.db2.gz JAHVJHBPOJMYCK-XOYOTBSWSA-N 1 0 393.325 2.562 20 0 GFADRO Cc1ccnc(CNC2CC[NH+](C3CCN(C)CC3)CC2)c1Br ZINC000865438523 662421337 /nfs/dbraw/zinc/42/13/37/662421337.db2.gz CAIMCZWXZZJFRQ-UHFFFAOYSA-N 1 0 381.362 2.801 20 0 GFADRO C[C@@H](CS(C)(=O)=O)[NH2+]Cc1cc2c(s1)CCN(C(=O)OC(C)(C)C)C2 ZINC000865462457 662422928 /nfs/dbraw/zinc/42/29/28/662422928.db2.gz LEFFYFIJYKGLEG-LBPRGKRZSA-N 1 0 388.555 2.564 20 0 GFADRO C[NH+](C)CCOc1ccccc1CNc1ccc(CO)c(Br)n1 ZINC000865480888 662424047 /nfs/dbraw/zinc/42/40/47/662424047.db2.gz JXIUVRQDBQVCIJ-UHFFFAOYSA-N 1 0 380.286 2.889 20 0 GFADRO Cc1ccc(Br)c(N2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)n1 ZINC000865642058 662433893 /nfs/dbraw/zinc/43/38/93/662433893.db2.gz RCNPZQJMUMOYGC-XYPWUTKMSA-N 1 0 379.346 2.900 20 0 GFADRO CC[NH+]1CCN([C@@H](C)CNC(=O)/C(C)=C\c2ccc(Br)o2)CC1 ZINC000865791788 662443866 /nfs/dbraw/zinc/44/38/66/662443866.db2.gz LKIWEZJMTLBQSA-FZDNWWAKSA-N 1 0 384.318 2.588 20 0 GFADRO CC(C)[C@H](C[NH+](C)C)NC(=O)c1cc(Br)ncc1Br ZINC000865799969 662444018 /nfs/dbraw/zinc/44/40/18/662444018.db2.gz INTSWJUNRYTVKW-NSHDSACASA-N 1 0 393.123 2.923 20 0 GFADRO C/C(=C\c1ccc(Br)o1)C(=O)NCCCN1CCC[N@@H+](C)CC1 ZINC000865817328 662445164 /nfs/dbraw/zinc/44/51/64/662445164.db2.gz FIRVREPVLUDZHY-BUHFOSPRSA-N 1 0 384.318 2.589 20 0 GFADRO COC[C@@H]([NH2+]Cc1ccc(OCC(N)=O)cc1)c1cccc(Br)c1 ZINC000865824644 662445726 /nfs/dbraw/zinc/44/57/26/662445726.db2.gz OOWLUXSSOKOPCZ-QGZVFWFLSA-N 1 0 393.281 2.791 20 0 GFADRO Cc1ccc(NC(=O)c2cc(I)nn2C)c(C[NH+](C)C)c1 ZINC000865864861 662447882 /nfs/dbraw/zinc/44/78/82/662447882.db2.gz KLQYIZXPPGFORC-UHFFFAOYSA-N 1 0 398.248 2.647 20 0 GFADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)c3cc4c(ccnc4Cl)s3)CC2)C1 ZINC000865896163 662449782 /nfs/dbraw/zinc/44/97/82/662449782.db2.gz BFRNIGOLOJEUCS-ZDUSSCGKSA-N 1 0 378.929 2.802 20 0 GFADRO C[N@H+](CCc1ccccc1)[C@H]1CCN(C(=O)c2cc(Br)no2)C1 ZINC000866021291 662456981 /nfs/dbraw/zinc/45/69/81/662456981.db2.gz YAZNVRFLWGYCNU-AWEZNQCLSA-N 1 0 378.270 2.826 20 0 GFADRO C[C@H]([NH2+]C[C@]12COC(=O)N1CCOC2)c1cc(Cl)ccc1OC(F)F ZINC000866526070 662478992 /nfs/dbraw/zinc/47/89/92/662478992.db2.gz WQBAPBYUZWPTGN-QFYYESIMSA-N 1 0 376.787 2.813 20 0 GFADRO Cc1ccc(Br)c(CS(=O)(=O)N2CCC[C@@H](CC[NH3+])C2)c1 ZINC000866762368 662495453 /nfs/dbraw/zinc/49/54/53/662495453.db2.gz PZQVHAXTSJKHHS-ZDUSSCGKSA-N 1 0 375.332 2.648 20 0 GFADRO Cc1ccc(Br)c(CS(=O)(=O)N[C@@H]2CC[NH2+]CC2(C)C)c1 ZINC000866770183 662496299 /nfs/dbraw/zinc/49/62/99/662496299.db2.gz UFDLXZICODMFMY-CQSZACIVSA-N 1 0 375.332 2.565 20 0 GFADRO [NH3+]C[C@H]1CN(S(=O)(=O)c2cc(Cl)cnc2Cl)CC[C@H]1C(F)(F)F ZINC000866778566 662497713 /nfs/dbraw/zinc/49/77/13/662497713.db2.gz ACHAIBJPCGPRGZ-IONNQARKSA-N 1 0 392.230 2.536 20 0 GFADRO Cc1c(Br)cccc1CS(=O)(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000866810316 662500773 /nfs/dbraw/zinc/50/07/73/662500773.db2.gz UCYRVXBLRFGGAN-YOWGUQMCSA-N 1 0 387.343 2.708 20 0 GFADRO COC(=O)c1cc(Cl)ccc1S(=O)(=O)N1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866814754 662501352 /nfs/dbraw/zinc/50/13/52/662501352.db2.gz GGMWIQMNJFSVFW-KRWDZBQOSA-N 1 0 388.917 2.512 20 0 GFADRO COC(=O)c1ccc(Cl)cc1S(=O)(=O)N1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866815692 662501377 /nfs/dbraw/zinc/50/13/77/662501377.db2.gz SPYGVZRFIRWNML-KRWDZBQOSA-N 1 0 388.917 2.512 20 0 GFADRO COc1cc(Cl)c(S(=O)(=O)N2CC[C@@](C[NH3+])(C(C)(C)C)C2)cc1OC ZINC000866815429 662501412 /nfs/dbraw/zinc/50/14/12/662501412.db2.gz PQVSKBVTGVVAQF-KRWDZBQOSA-N 1 0 390.933 2.743 20 0 GFADRO O=S(=O)(c1cc(Br)sc1Cl)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000866829101 662502529 /nfs/dbraw/zinc/50/25/29/662502529.db2.gz YXALQZNUJKVZFG-SFYZADRCSA-N 1 0 385.736 2.679 20 0 GFADRO COCCN(CC1CC[NH+](C)CC1)S(=O)(=O)c1c(Cl)cccc1Cl ZINC000867583203 662560971 /nfs/dbraw/zinc/56/09/71/662560971.db2.gz XESMNBMQGDKSIQ-UHFFFAOYSA-N 1 0 395.352 2.972 20 0 GFADRO C[NH+](C)C1(C)CCC(NS(=O)(=O)Cc2ncsc2Br)CC1 ZINC000867741374 662571634 /nfs/dbraw/zinc/57/16/34/662571634.db2.gz BQFPGPZXQLMCEO-UHFFFAOYSA-N 1 0 396.376 2.588 20 0 GFADRO C[N@@H+]1CC[C@H]2CN(S(=O)(=O)c3cc(Cl)ccc3OC(F)F)CC[C@H]21 ZINC000867806289 662577709 /nfs/dbraw/zinc/57/77/09/662577709.db2.gz FSCKLYQKIYIJKW-CMPLNLGQSA-N 1 0 380.844 2.656 20 0 GFADRO Cc1nc(-c2ccc(S(=O)(=O)N3CC[C@@H]4[C@H](CC[N@H+]4C)C3)s2)cs1 ZINC000867811348 662578887 /nfs/dbraw/zinc/57/88/87/662578887.db2.gz BKWCQJVTRMINFM-TZMCWYRMSA-N 1 0 383.564 2.895 20 0 GFADRO C[C@@H](NC(=O)C1CCN(C(=O)c2ccc(Cl)s2)CC1)C1CC[NH2+]CC1 ZINC000868003519 662591101 /nfs/dbraw/zinc/59/11/01/662591101.db2.gz GXIQVUGPIISKJV-GFCCVEGCSA-N 1 0 383.945 2.758 20 0 GFADRO C[C@@H](CNC(=O)NCc1ncc(Br)s1)[N@@H+]1CCCC[C@@H]1C ZINC000868053385 662592786 /nfs/dbraw/zinc/59/27/86/662592786.db2.gz MBUCKEOISAMFMQ-QWRGUYRKSA-N 1 0 375.336 2.968 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)N[C@H]2COc3cccc(Br)c3C2)CC[N@@H+]1C ZINC000868374101 662603528 /nfs/dbraw/zinc/60/35/28/662603528.db2.gz NFVDNHYQPGMTOV-FRRDWIJNSA-N 1 0 382.302 2.535 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)N[C@H]2COc3cccc(Br)c3C2)CC[N@@H+]1C ZINC000868374102 662603564 /nfs/dbraw/zinc/60/35/64/662603564.db2.gz NFVDNHYQPGMTOV-JHJVBQTASA-N 1 0 382.302 2.535 20 0 GFADRO CC(=O)N[C@@H](C(=O)N(C)[C@H]1CC[N@@H+](C(C)C)C1)c1cccc(Br)c1 ZINC000868809276 662620226 /nfs/dbraw/zinc/62/02/26/662620226.db2.gz IGSQSMHFUMGVTP-DLBZAZTESA-N 1 0 396.329 2.567 20 0 GFADRO O=C(CCC12CC(C1)C[NH2+]2)N1CCN(Cc2ccc(Br)s2)CC1 ZINC000870855323 662703587 /nfs/dbraw/zinc/70/35/87/662703587.db2.gz MUAARXLZIOLMKK-UHFFFAOYSA-N 1 0 398.370 2.687 20 0 GFADRO CC[NH+](CC)CC(=O)Nc1ccc(N2CC[C@@H](CO)C2)c(Br)c1 ZINC000870890309 662706608 /nfs/dbraw/zinc/70/66/08/662706608.db2.gz LFHRDRVLPVQBPZ-CYBMUJFWSA-N 1 0 384.318 2.548 20 0 GFADRO [NH3+][C@@H](C(=O)NC[C@@H](CO)Cc1ccc(F)cc1)c1cccc(Br)c1 ZINC000870903483 662707378 /nfs/dbraw/zinc/70/73/78/662707378.db2.gz WHAJYLYATLWOKJ-SUMWQHHRSA-N 1 0 395.272 2.555 20 0 GFADRO O=C(N[C@H](C[C@@H]1CCCO1)C(F)(F)F)c1csc(C2CC[NH2+]CC2)n1 ZINC000870950769 662711255 /nfs/dbraw/zinc/71/12/55/662711255.db2.gz LTMLVFORYGLDCA-WCQYABFASA-N 1 0 377.432 2.840 20 0 GFADRO Cc1c(Br)cc(C(=O)NCCC2CC[NH+](C(C)C)CC2)c(=O)n1C ZINC000870955575 662711395 /nfs/dbraw/zinc/71/13/95/662711395.db2.gz WIQSFYKLBNLEFF-UHFFFAOYSA-N 1 0 398.345 2.697 20 0 GFADRO CCS(=O)(=O)c1ccc(Cl)c(C(=O)N2CC[C@@](C[NH3+])(C(C)(C)C)C2)c1 ZINC000870992252 662712457 /nfs/dbraw/zinc/71/24/57/662712457.db2.gz OFSDELJRIOHQOR-SFHVURJKSA-N 1 0 386.945 2.971 20 0 GFADRO Cn1c(-c2ccc(Br)s2)nnc1N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000871046216 662714211 /nfs/dbraw/zinc/71/42/11/662714211.db2.gz WBVKBQDZOFONQS-GHMZBOCLSA-N 1 0 382.331 2.837 20 0 GFADRO CN(Cc1ccc(Cl)s1)C(=O)CON=C(N)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000871786242 662733707 /nfs/dbraw/zinc/73/37/07/662733707.db2.gz VWBDKMPLLYIXNP-YHWZYXNKSA-N 1 0 384.933 2.731 20 0 GFADRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2ccc(Cl)c(F)c2Cl)C[C@@H]1C(F)(F)F ZINC000871814086 662735448 /nfs/dbraw/zinc/73/54/48/662735448.db2.gz PCRFFVYGZOIAAD-RQJHMYQMSA-N 1 0 395.205 2.890 20 0 GFADRO Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000871814231 662735499 /nfs/dbraw/zinc/73/54/99/662735499.db2.gz RALPCOUDWIRUAG-MWLCHTKSSA-N 1 0 390.349 2.772 20 0 GFADRO CCS(=O)(=O)C[C@H](C)[NH2+][C@@H](c1cccc(Br)c1)[C@@H]1CCOC1 ZINC000872046214 662754699 /nfs/dbraw/zinc/75/46/99/662754699.db2.gz VMRPWERUEWPDQS-BJJXKVORSA-N 1 0 390.343 2.940 20 0 GFADRO O=S1(=O)CC(CC[NH2+][C@@H](c2cccc(Br)c2)[C@@H]2CCOC2)C1 ZINC000872064746 662755093 /nfs/dbraw/zinc/75/50/93/662755093.db2.gz LFSUVPHYOKURLH-ZBFHGGJFSA-N 1 0 388.327 2.551 20 0 GFADRO FC(F)(F)c1ccc(C[NH2+]C2CCN(CCN3CCOCC3)CC2)s1 ZINC000872107455 662756038 /nfs/dbraw/zinc/75/60/38/662756038.db2.gz MHMRNLDMAYIDJY-UHFFFAOYSA-N 1 0 377.476 2.653 20 0 GFADRO Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)[NH2+]CCOC(F)(F)C(F)(F)F ZINC000872110706 662756100 /nfs/dbraw/zinc/75/61/00/662756100.db2.gz NVJOVHNRUCMVOX-JTQLQIEISA-N 1 0 390.374 2.773 20 0 GFADRO C[C@H]([NH2+]CC1C[C@H]2CC[C@@H](C1)S2(=O)=O)c1ncc(Br)s1 ZINC000872119521 662756283 /nfs/dbraw/zinc/75/62/83/662756283.db2.gz HJVVCAVSZAOYBD-OFLUOSHYSA-N 1 0 379.345 2.912 20 0 GFADRO C[C@H](c1ccc(Cl)cc1)N(C)C(=O)CN1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000872147676 662756418 /nfs/dbraw/zinc/75/64/18/662756418.db2.gz CVZXUOREUJVWNU-KYOSRNDESA-N 1 0 377.838 2.928 20 0 GFADRO COc1ccc(COC[C@@H](O)C[NH2+]Cc2ccc(Br)cn2)cc1 ZINC000872234529 662758565 /nfs/dbraw/zinc/75/85/65/662758565.db2.gz UFUOSVUVUGTVIW-INIZCTEOSA-N 1 0 381.270 2.520 20 0 GFADRO C[C@@H]([NH2+]C[C@H](O)COc1ccc(Cl)cc1Br)c1ccnn1C ZINC000872238420 662758836 /nfs/dbraw/zinc/75/88/36/662758836.db2.gz HKBLIQAOKDVEJK-PWSUYJOCSA-N 1 0 388.693 2.927 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(CN3CC(c4ccc(Br)cc4)=CC3=O)CC[C@@H]21 ZINC000872722592 662786610 /nfs/dbraw/zinc/78/66/10/662786610.db2.gz FOVNECBJCCSSKS-QAPCUYQASA-N 1 0 390.325 2.658 20 0 GFADRO O=C1CCCN1CCC[NH2+]Cc1cccc(F)c1I ZINC000873007856 662795976 /nfs/dbraw/zinc/79/59/76/662795976.db2.gz HWOWJWDZPVNPIR-UHFFFAOYSA-N 1 0 376.213 2.532 20 0 GFADRO COCc1nc2n(n1)C[C@H]([NH2+]Cc1cccc(Cl)c1Br)CC2 ZINC000873076471 662798771 /nfs/dbraw/zinc/79/87/71/662798771.db2.gz NFLOOSFZXQHZIF-LLVKDONJSA-N 1 0 385.693 2.945 20 0 GFADRO COCc1nc2n(n1)C[C@@H]([NH2+]Cc1c(C)ccc(Br)c1F)CC2 ZINC000873076347 662798912 /nfs/dbraw/zinc/79/89/12/662798912.db2.gz IEZJYMUIPPQIHW-NSHDSACASA-N 1 0 383.265 2.739 20 0 GFADRO CCO[C@@H]1COCC[C@H]1[NH2+]Cc1cccc(F)c1I ZINC000873105499 662799991 /nfs/dbraw/zinc/79/99/91/662799991.db2.gz XNSCUIPBAHFSFH-CHWSQXEVSA-N 1 0 379.213 2.714 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)Nc2nnc(-c3ccsc3)s2)C[C@@H]1C(F)(F)F ZINC000873303700 662804974 /nfs/dbraw/zinc/80/49/74/662804974.db2.gz LDSACXWFQXGDHS-IUCAKERBSA-N 1 0 377.417 2.868 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)Nc2nc(CC(F)(F)F)cs2)C[C@H]1C(F)(F)F ZINC000873329159 662805674 /nfs/dbraw/zinc/80/56/74/662805674.db2.gz UCRFDPRYLLSEHZ-POYBYMJQSA-N 1 0 376.326 2.849 20 0 GFADRO C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)C3(Br)CC3)cc2)C[C@H](C)O1 ZINC000873991386 662820647 /nfs/dbraw/zinc/82/06/47/662820647.db2.gz NIRXRHGJFSSTIY-OKILXGFUSA-N 1 0 381.314 2.840 20 0 GFADRO O=C(C[NH+]1CCCC1)N1CCC(C(=O)Nc2ccccc2Br)CC1 ZINC000874271048 662827124 /nfs/dbraw/zinc/82/71/24/662827124.db2.gz FGLTYCZHAYLDHQ-UHFFFAOYSA-N 1 0 394.313 2.722 20 0 GFADRO CC(C)[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2C ZINC000874830666 662837840 /nfs/dbraw/zinc/83/78/40/662837840.db2.gz VGPHFTRICNRWBA-HEHGZKQESA-N 1 0 383.945 2.851 20 0 GFADRO Cc1c(I)cccc1C(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2C ZINC000874839529 662838211 /nfs/dbraw/zinc/83/82/11/662838211.db2.gz WOUCIPVGXCSBKM-GJZGRUSLSA-N 1 0 384.261 2.908 20 0 GFADRO CC[NH+](CC)[C@H](CNC(=O)C(=O)NCC[C@@H]1CCSC1)c1ccsc1 ZINC000875056748 662841323 /nfs/dbraw/zinc/84/13/23/662841323.db2.gz GSXNQHKKWJCGHV-GDBMZVCRSA-N 1 0 383.583 2.507 20 0 GFADRO Cn1cc([C@H]2C[N@H+](C)CC[C@H]2C(=O)OCc2ccc(Br)cc2)cn1 ZINC000875753366 662851271 /nfs/dbraw/zinc/85/12/71/662851271.db2.gz VNIINXWEZRRTPY-IAGOWNOFSA-N 1 0 392.297 2.961 20 0 GFADRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)NCc1ncc(Br)s1 ZINC000876285741 662858933 /nfs/dbraw/zinc/85/89/33/662858933.db2.gz JYMCYNWSTKDVMK-LLVKDONJSA-N 1 0 375.336 2.921 20 0 GFADRO COC(=O)C[C@H](NC(=O)/C=C\[C@@H]1CCC[NH2+]C1)c1ccc(Br)cc1 ZINC000876597471 662863223 /nfs/dbraw/zinc/86/32/23/662863223.db2.gz ZEWYQSNJGLHKCE-YWOOQPTGSA-N 1 0 395.297 2.725 20 0 GFADRO Cc1cnn([C@H]2CCC[NH2+]C2)c1C(=O)NCc1csc(Br)c1 ZINC000876602064 662863304 /nfs/dbraw/zinc/86/33/04/662863304.db2.gz GPMZWOQSDVYCHV-LBPRGKRZSA-N 1 0 383.315 2.870 20 0 GFADRO C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000876615682 662863523 /nfs/dbraw/zinc/86/35/23/662863523.db2.gz KUWJFYOPESMYAO-JDTDYZPYSA-N 1 0 379.298 2.761 20 0 GFADRO CC1(C)[C@@H]([NH3+])C[C@@H]1C(=O)NC1(c2cccc(Br)c2)CCOCC1 ZINC000876615827 662863547 /nfs/dbraw/zinc/86/35/47/662863547.db2.gz MGBAQLLCZJDJEP-CABCVRRESA-N 1 0 381.314 2.944 20 0 GFADRO COCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](Cc2nccc(C)c2Br)C1 ZINC000876632951 662863847 /nfs/dbraw/zinc/86/38/47/662863847.db2.gz OUGKDWWOPOIPIW-KGLIPLIRSA-N 1 0 384.318 2.516 20 0 GFADRO O=C(/C=C\[C@H]1CCC[NH2+]C1)NCCOc1ncc(C(F)(F)F)cc1Cl ZINC000876772072 662866127 /nfs/dbraw/zinc/86/61/27/662866127.db2.gz GKZLTVPCVWYLHG-DLRQAJBASA-N 1 0 377.794 2.805 20 0 GFADRO O=C([C@@H]1C[NH2+]C[C@H]1c1ccc(Cl)cc1)N1CCc2cc(Cl)nnc2C1 ZINC000876936540 662868359 /nfs/dbraw/zinc/86/83/59/662868359.db2.gz LAFPLNKLNLYCOV-LSDHHAIUSA-N 1 0 377.275 2.671 20 0 GFADRO C[NH2+]CCOCCN(C)C(=O)c1cnc(-c2ccccc2Br)s1 ZINC000877030112 662869950 /nfs/dbraw/zinc/86/99/50/662869950.db2.gz YKSILJYDYRJUNH-UHFFFAOYSA-N 1 0 398.326 2.881 20 0 GFADRO C[C@H]1C[C@H](c2ccc(Br)cc2)CN1C(=O)c1c(C[NH3+])cnn1C ZINC000877067311 662870653 /nfs/dbraw/zinc/87/06/53/662870653.db2.gz GVGYWHCLSGISRS-AAEUAGOBSA-N 1 0 377.286 2.660 20 0 GFADRO Cn1cc([C@H](O)C[NH2+][C@H]2CCN(C)[C@@H](c3ccc(Br)cc3)C2)cn1 ZINC000877071674 662870735 /nfs/dbraw/zinc/87/07/35/662870735.db2.gz BEXXORUYEQHHIP-RCCFBDPRSA-N 1 0 393.329 2.641 20 0 GFADRO C[C@@H]([NH2+]Cc1cnn2cc(Br)cnc12)[C@H](O)c1cccc(F)c1 ZINC000877083304 662870908 /nfs/dbraw/zinc/87/09/08/662870908.db2.gz LHBAKHJFKCCMSJ-BMIGLBTASA-N 1 0 379.233 2.843 20 0 GFADRO CCO[P@](C)(=O)CC[C@@H](C)[NH2+]CCN(C)S(=O)(=O)c1cccs1 ZINC000877115094 662871243 /nfs/dbraw/zinc/87/12/43/662871243.db2.gz IWRKYPQAOWUIQP-ASSNKEHSSA-N 1 0 382.488 2.681 20 0 GFADRO [NH3+]CC12CCC(CC1)N2C(=O)c1ncc(Br)cc1Br ZINC000877187515 662872098 /nfs/dbraw/zinc/87/20/98/662872098.db2.gz VRXXMUJKEQWZPS-UHFFFAOYSA-N 1 0 389.091 2.703 20 0 GFADRO COc1ccc([C@@H]2CN(C(=O)c3oc(Br)cc3C)C[C@H]2[NH3+])cc1 ZINC000877236396 662872405 /nfs/dbraw/zinc/87/24/05/662872405.db2.gz LMSLVHLVAIZLHS-UONOGXRCSA-N 1 0 379.254 2.926 20 0 GFADRO CC(=O)N[C@@H](CC(=O)N[C@H](C)C1CC[NH2+]CC1)c1ccc(Br)cc1 ZINC000877252883 662872546 /nfs/dbraw/zinc/87/25/46/662872546.db2.gz AJDCCJUZWDFOLF-PXAZEXFGSA-N 1 0 396.329 2.521 20 0 GFADRO Cc1ccc(F)c(C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)c1Br ZINC000877330194 662873784 /nfs/dbraw/zinc/87/37/84/662873784.db2.gz YRJQAZWLSYCAGL-GFCCVEGCSA-N 1 0 385.277 2.785 20 0 GFADRO O=C(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)c1ccc(Br)cc1Cl ZINC000877337189 662873970 /nfs/dbraw/zinc/87/39/70/662873970.db2.gz RKHRJPIKZBIRQP-LBPRGKRZSA-N 1 0 387.705 2.991 20 0 GFADRO O=C(CCc1cccc(Br)c1)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000877337006 662873977 /nfs/dbraw/zinc/87/39/77/662873977.db2.gz VSZBHBLHZSHZAP-INIZCTEOSA-N 1 0 381.314 2.657 20 0 GFADRO O=C(NC[C@H]1CC2(CO1)CC[NH2+]CC2)c1ccc(Br)cc1Cl ZINC000877337188 662873999 /nfs/dbraw/zinc/87/39/99/662873999.db2.gz RKHRJPIKZBIRQP-GFCCVEGCSA-N 1 0 387.705 2.991 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)Cc2ccc(Br)cc2F)C[C@@H]1C(F)(F)F ZINC000877358329 662874437 /nfs/dbraw/zinc/87/44/37/662874437.db2.gz WLMGSYODWJSAMV-KOLCDFICSA-N 1 0 383.183 2.726 20 0 GFADRO COc1ccc(Br)cc1C(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000877363042 662874634 /nfs/dbraw/zinc/87/46/34/662874634.db2.gz AXFMCXDGLBGLGK-KCJUWKMLSA-N 1 0 381.192 2.667 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)COc2ccc(Br)cc2F)C[C@@H]1C(F)(F)F ZINC000877365318 662874736 /nfs/dbraw/zinc/87/47/36/662874736.db2.gz DTQUDVRLVZCGLE-WPRPVWTQSA-N 1 0 399.182 2.563 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)CCc2ccc(Br)cc2)C[C@@H]1C(F)(F)F ZINC000877368026 662874837 /nfs/dbraw/zinc/87/48/37/662874837.db2.gz OWPWUTQVUDRITR-AAEUAGOBSA-N 1 0 379.220 2.977 20 0 GFADRO COc1ccc(C(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)c(Br)c1 ZINC000877367203 662874856 /nfs/dbraw/zinc/87/48/56/662874856.db2.gz ZEYYDWQQBBOFEL-LDYMZIIASA-N 1 0 381.192 2.667 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)COc2ccc(F)cc2Br)C[C@H]1C(F)(F)F ZINC000877369129 662874927 /nfs/dbraw/zinc/87/49/27/662874927.db2.gz XSKYNRNTUIHSQC-WCBMZHEXSA-N 1 0 399.182 2.563 20 0 GFADRO Cc1c(C(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)cnn1-c1cccc(Br)c1 ZINC000877376109 662875020 /nfs/dbraw/zinc/87/50/20/662875020.db2.gz AVKKRVLYAUBNAI-SCLBCKFNSA-N 1 0 389.297 2.625 20 0 GFADRO O=C(CCC[S@](=O)c1ccc(Br)cc1)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000877391691 662875307 /nfs/dbraw/zinc/87/53/07/662875307.db2.gz KJLSRBCOJKXZPC-DLYSWHJUSA-N 1 0 399.354 2.738 20 0 GFADRO O=C(N[C@@]12CCC[C@H]1[NH2+]CC2)C1CCN(C(=O)c2ccc(Cl)s2)CC1 ZINC000877392814 662875372 /nfs/dbraw/zinc/87/53/72/662875372.db2.gz NWSPPPZTVHUEPE-RDTXWAMCSA-N 1 0 381.929 2.655 20 0 GFADRO CN(CCCCCC[NH3+])C(=O)[C@@H]1CCN(c2ccccc2Br)C1=O ZINC000877441934 662876024 /nfs/dbraw/zinc/87/60/24/662876024.db2.gz UHCVQGWCQWGHOK-AWEZNQCLSA-N 1 0 396.329 2.780 20 0 GFADRO COc1ccccc1[C@@H]1CSCCCN1C(=O)c1csc(CC[NH3+])n1 ZINC000877453778 662876151 /nfs/dbraw/zinc/87/61/51/662876151.db2.gz HMMRPJJKCFLMDP-HNNXBMFYSA-N 1 0 377.535 2.973 20 0 GFADRO CCO[P@@](C)(=O)CC[C@H](C)[NH2+]CCN(C)S(=O)(=O)c1ccc(F)cc1 ZINC000877496328 662877149 /nfs/dbraw/zinc/87/71/49/662877149.db2.gz RPHQWINFPAEYRZ-LFPIHBKWSA-N 1 0 394.449 2.759 20 0 GFADRO O[C@H](CC[NH2+]Cc1cn(C[C@@H]2CCCO2)nn1)c1ccc(Cl)c(Cl)c1 ZINC000877529047 662878239 /nfs/dbraw/zinc/87/82/39/662878239.db2.gz RDEYSHFRZJFMKW-WMLDXEAASA-N 1 0 385.295 2.977 20 0 GFADRO OC[C@]1([NH2+]Cc2ccc(Cl)nn2)CCc2cc(Br)ccc2C1 ZINC000877652787 662880680 /nfs/dbraw/zinc/88/06/80/662880680.db2.gz OIDODUVPVMGYSM-INIZCTEOSA-N 1 0 382.689 2.902 20 0 GFADRO COC(=O)[C@@H]1OCC[C@@H]1C[NH2+]Cc1nc2ccc(Br)cc2s1 ZINC000877725960 662882543 /nfs/dbraw/zinc/88/25/43/662882543.db2.gz CISLUYSPLMCXAT-YMTOWFKASA-N 1 0 385.283 2.727 20 0 GFADRO COC[C@H](NC1CC[NH+](CC(C)(C)O)CC1)c1cccc(Br)c1 ZINC000877758679 662882946 /nfs/dbraw/zinc/88/29/46/662882946.db2.gz KCLUZPJSDGYYCZ-KRWDZBQOSA-N 1 0 385.346 2.962 20 0 GFADRO C[N@@H+]1CC[C@H]2CN(C(=O)Nc3ccc(I)cc3)CC[C@@H]21 ZINC000877922128 662886050 /nfs/dbraw/zinc/88/60/50/662886050.db2.gz UAZSLTNBJQXAGB-FZMZJTMJSA-N 1 0 385.249 2.849 20 0 GFADRO CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)Nc2ccc(OC(F)F)c(Cl)c2)C1 ZINC000877958831 662886851 /nfs/dbraw/zinc/88/68/51/662886851.db2.gz GBUSERMIMBCDGJ-NSHDSACASA-N 1 0 377.819 2.908 20 0 GFADRO C[NH+]1CCC(NC(=O)c2cc(Br)nn2-c2ncccc2Cl)CC1 ZINC000878004225 662887870 /nfs/dbraw/zinc/88/78/70/662887870.db2.gz QSZGSBRHVQPCDT-UHFFFAOYSA-N 1 0 398.692 2.507 20 0 GFADRO C[C@H](c1ccc([S@](C)=O)cc1)[N@H+](C)C[C@H](O)c1cc(Br)no1 ZINC000878160307 662891031 /nfs/dbraw/zinc/89/10/31/662891031.db2.gz LJKGQHCVBQMZAZ-NCUDTFITSA-N 1 0 387.299 2.901 20 0 GFADRO COC[C@@H]([NH2+]C[C@H](O)c1cc(Br)no1)c1ccc(F)c(F)c1 ZINC000878368874 662894599 /nfs/dbraw/zinc/89/45/99/662894599.db2.gz GTOPQIHQJCUEJW-NEPJUHHUSA-N 1 0 377.185 2.726 20 0 GFADRO COC[C@@H]([NH2+]C[C@@H](O)c1cc(Br)no1)c1ccc(F)c(F)c1 ZINC000878368880 662894608 /nfs/dbraw/zinc/89/46/08/662894608.db2.gz GTOPQIHQJCUEJW-VXGBXAGGSA-N 1 0 377.185 2.726 20 0 GFADRO CC(C)[C@@H]([NH2+]C[C@H](O)c1cc(Br)no1)c1nnc2ccccn21 ZINC000878376131 662894858 /nfs/dbraw/zinc/89/48/58/662894858.db2.gz WDZVPNLFCJVXMX-IINYFYTJSA-N 1 0 380.246 2.500 20 0 GFADRO OC[C@@H]([NH2+]C[C@@H](O)c1cc(Br)no1)c1ccc(C(F)(F)F)cc1 ZINC000878397197 662895366 /nfs/dbraw/zinc/89/53/66/662895366.db2.gz OTZYHGJNSQCRDV-GHMZBOCLSA-N 1 0 395.175 2.813 20 0 GFADRO OC[C@H]([NH2+]C[C@H](O)C[C@H](O)c1ccccc1)c1ccc(Br)cc1 ZINC000878398238 662895473 /nfs/dbraw/zinc/89/54/73/662895473.db2.gz YWMJNBHRFALNJU-SQNIBIBYSA-N 1 0 380.282 2.557 20 0 GFADRO NC(=O)c1ccc(CC[N@H+](CCO)Cc2ccc(Br)s2)cc1 ZINC000878506219 662897691 /nfs/dbraw/zinc/89/76/91/662897691.db2.gz FXSBRIWRYVMSOZ-UHFFFAOYSA-N 1 0 383.311 2.647 20 0 GFADRO Cc1ccc([C@H](CNC(=O)Cc2c(Br)cnn2C)[NH+]2CCCC2)o1 ZINC000878607785 662900111 /nfs/dbraw/zinc/90/01/11/662900111.db2.gz YUBYZGAISDWHFZ-HNNXBMFYSA-N 1 0 395.301 2.580 20 0 GFADRO OCC[C@@H]([NH2+]C[C@H](O)c1cc(Br)no1)c1ccc(Cl)cc1 ZINC000878618663 662900604 /nfs/dbraw/zinc/90/06/04/662900604.db2.gz DGPFJVCCSKNJJA-NEPJUHHUSA-N 1 0 375.650 2.837 20 0 GFADRO C[N@@H+](C[C@H](O)c1ccccc1Br)C[C@@H](O)CC1(CO)CCCC1 ZINC000878692023 662902798 /nfs/dbraw/zinc/90/27/98/662902798.db2.gz UQWHGXXNYBATTR-YOEHRIQHSA-N 1 0 386.330 2.718 20 0 GFADRO O=C1O[C@H](C[N@H+]2CC[C@H](Oc3cncc(Br)c3)C2)CC12CCC2 ZINC000878875872 662908091 /nfs/dbraw/zinc/90/80/91/662908091.db2.gz OBRWSSYCKWEREQ-ZFWWWQNUSA-N 1 0 381.270 2.783 20 0 GFADRO O=C(Nc1ccc(Br)nc1)N1CCC([NH2+]C2CCOCC2)CC1 ZINC000878960370 662911195 /nfs/dbraw/zinc/91/11/95/662911195.db2.gz LADHOBUMVVMEKP-UHFFFAOYSA-N 1 0 383.290 2.609 20 0 GFADRO O=C1OCCN1C1CC[NH+](C[C@@H](O)COc2cc(Cl)cc(Cl)c2)CC1 ZINC000878996988 662912650 /nfs/dbraw/zinc/91/26/50/662912650.db2.gz TVFGPTMAGQZVEQ-OAHLLOKOSA-N 1 0 389.279 2.650 20 0 GFADRO COC(=O)c1cc(Br)ccc1NC(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879010404 662913056 /nfs/dbraw/zinc/91/30/56/662913056.db2.gz BPKNUSGSUPAVTI-ABAIWWIYSA-N 1 0 396.285 2.794 20 0 GFADRO Cn1nc2c(c1C(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C)CSCC2 ZINC000879058886 662915098 /nfs/dbraw/zinc/91/50/98/662915098.db2.gz XBWLFEMQHYVHKI-INIZCTEOSA-N 1 0 378.929 2.896 20 0 GFADRO COC(=O)c1cc(NC(=O)N2CC[C@H]3[C@H](CC[N@@H+]3C)C2)ccc1Br ZINC000879107043 662917100 /nfs/dbraw/zinc/91/71/00/662917100.db2.gz RHCBBOMBXMRKQB-ABAIWWIYSA-N 1 0 396.285 2.794 20 0 GFADRO COCCN(Cc1cc(OC)ncc1Br)CC1CC[NH+](C)CC1 ZINC000879125783 662918003 /nfs/dbraw/zinc/91/80/03/662918003.db2.gz IPTKKTOECCODTO-UHFFFAOYSA-N 1 0 386.334 2.643 20 0 GFADRO C[C@H]1C[C@H](NC(=O)Cc2c(Br)cnn2C)C[N@@H+]1Cc1ccccc1 ZINC000879141726 662918275 /nfs/dbraw/zinc/91/82/75/662918275.db2.gz ACONVXLGAQSQNA-ZFWWWQNUSA-N 1 0 391.313 2.504 20 0 GFADRO C[C@@H](NC(=O)Cc1c(Br)cnn1C)[C@@H](c1ccccc1)[NH+](C)C ZINC000879517592 662928303 /nfs/dbraw/zinc/92/83/03/662928303.db2.gz IDMFHUPNOKQYHQ-PXAZEXFGSA-N 1 0 379.302 2.533 20 0 GFADRO O=C(C[N@@H+]1CC[C@@H]2CSC[C@@H]2C1)Nc1cc(Cl)ccc1-n1cncn1 ZINC000879560018 662929404 /nfs/dbraw/zinc/92/94/04/662929404.db2.gz DLMRYMLZMOWGGV-OLZOCXBDSA-N 1 0 377.901 2.544 20 0 GFADRO C[N@@H+]1CC[C@H]2CN(CCC(=O)Nc3ccc(Br)cc3F)CC[C@@H]21 ZINC000879571933 662929807 /nfs/dbraw/zinc/92/98/07/662929807.db2.gz UROCOUPREPKSNT-LRDDRELGSA-N 1 0 384.293 2.943 20 0 GFADRO Cn1nc(Br)cc1NC(=O)NCC[N@H+](C)Cc1ccc(F)cc1 ZINC000879642849 662932649 /nfs/dbraw/zinc/93/26/49/662932649.db2.gz HOHSDOZXBGXIBO-UHFFFAOYSA-N 1 0 384.253 2.575 20 0 GFADRO Cn1nc(Br)cc1NC(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C ZINC000879645578 662933913 /nfs/dbraw/zinc/93/39/13/662933913.db2.gz XSIYHUZAAMXQIQ-GFCCVEGCSA-N 1 0 384.253 2.746 20 0 GFADRO COCC[N@H+](CC(=O)NCCc1cccc(Cl)c1Cl)C1CCOCC1 ZINC000879707928 662937624 /nfs/dbraw/zinc/93/76/24/662937624.db2.gz KACIDSCNHXLGPY-UHFFFAOYSA-N 1 0 389.323 2.780 20 0 GFADRO Cn1cc(NC(=O)N2CC[C@H]([N@H+](C)Cc3ccccc3)C2)c(Br)n1 ZINC000880053548 662947886 /nfs/dbraw/zinc/94/78/86/662947886.db2.gz VOINCKDIZKPLNN-AWEZNQCLSA-N 1 0 392.301 2.921 20 0 GFADRO Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)Nc3cn(C)nc3Br)C2)cc1 ZINC000880066618 662950013 /nfs/dbraw/zinc/95/00/13/662950013.db2.gz VIEHXMPNDDNDLR-CQSZACIVSA-N 1 0 392.301 2.887 20 0 GFADRO CN(Cc1ccccc1Br)C(=O)CN1CC[C@H]2[C@H]1CCC[N@@H+]2C ZINC000880129459 662951984 /nfs/dbraw/zinc/95/19/84/662951984.db2.gz JLYXJCCRJQANRM-DLBZAZTESA-N 1 0 380.330 2.576 20 0 GFADRO O=S(=O)(CC[NH2+][C@@H]1CCC[C@]12CCCO2)c1cccc(Br)c1 ZINC000880507150 662961153 /nfs/dbraw/zinc/96/11/53/662961153.db2.gz GDHARPKBFKNMBL-CVEARBPZSA-N 1 0 388.327 2.914 20 0 GFADRO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[NH+]1CCC2(CC1)COCCO2 ZINC000880540463 662961800 /nfs/dbraw/zinc/96/18/00/662961800.db2.gz DUFPCHHZYFYXRZ-UHFFFAOYSA-N 1 0 387.307 2.833 20 0 GFADRO O[C@@H](COc1c(Cl)cccc1Cl)C[N@@H+]1C[C@H](O)CC2(CCOCC2)C1 ZINC000880588880 662963675 /nfs/dbraw/zinc/96/36/75/662963675.db2.gz HWWAPQCFQYZESJ-ZIAGYGMSSA-N 1 0 390.307 2.597 20 0 GFADRO COc1cc(Br)ccc1NC(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000880631079 662965743 /nfs/dbraw/zinc/96/57/43/662965743.db2.gz QCTIXQBSRPONKJ-UHFFFAOYSA-N 1 0 399.333 2.607 20 0 GFADRO CCc1ccc(Br)c(NC(=O)N[C@H](C)CN2CC[NH+](C)CC2)c1 ZINC000880958979 662980013 /nfs/dbraw/zinc/98/00/13/662980013.db2.gz OGUPSFAAVDBZAI-CYBMUJFWSA-N 1 0 383.334 2.769 20 0 GFADRO COC[C@@H]([NH3+])Cc1cn(Cc2cc3ccc(SC)cc3nc2Cl)nn1 ZINC000881055256 662981397 /nfs/dbraw/zinc/98/13/97/662981397.db2.gz VVASBOVVHFSVGQ-ZDUSSCGKSA-N 1 0 377.901 2.766 20 0 GFADRO C[C@H]1CN(C(=O)Nc2cccc(F)c2Br)CC[N@@H+]1CC(C)(C)O ZINC000881139047 662982804 /nfs/dbraw/zinc/98/28/04/662982804.db2.gz SFOXTIRBDGHDQV-NSHDSACASA-N 1 0 388.281 2.897 20 0 GFADRO C[N@@H+]1CC[C@](O)(CNC(=O)Nc2cc(Br)ccc2C(C)(C)C)C1 ZINC000881255541 662986319 /nfs/dbraw/zinc/98/63/19/662986319.db2.gz NLSSTHKIQICOKD-KRWDZBQOSA-N 1 0 384.318 2.935 20 0 GFADRO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N[C@@H](C)c1ccncc1Br ZINC000881461943 662995031 /nfs/dbraw/zinc/99/50/31/662995031.db2.gz OAYIZDIEKNOHRQ-LRDDRELGSA-N 1 0 384.318 2.815 20 0 GFADRO Cc1[nH]c(=O)c(Br)cc1C(=O)N1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000881632524 662998564 /nfs/dbraw/zinc/99/85/64/662998564.db2.gz BQUKFDJNQZUSIY-NSHDSACASA-N 1 0 391.269 2.604 20 0 GFADRO O=S(=O)(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1cnc(Cl)cc1C(F)(F)F ZINC000881790422 663003333 /nfs/dbraw/zinc/00/33/33/663003333.db2.gz OCVCMIMONAAQJV-GHMZBOCLSA-N 1 0 383.823 2.659 20 0 GFADRO CC[N@@H+]1CC[C@@H]1CNC(=O)CCc1nc(-c2cc(Br)cs2)no1 ZINC000882485766 663028900 /nfs/dbraw/zinc/02/89/00/663028900.db2.gz VPPFLYVORPDVMT-LLVKDONJSA-N 1 0 399.314 2.704 20 0 GFADRO CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(Br)nn1-c1ncccc1Cl ZINC000882497959 663029175 /nfs/dbraw/zinc/02/91/75/663029175.db2.gz OKLNKLTYOAJVKV-JTQLQIEISA-N 1 0 398.692 2.507 20 0 GFADRO CC[C@H](CS(=O)(=O)c1ccccc1)[NH2+]Cc1c2c(nn1C)CCSC2 ZINC000883074510 663047876 /nfs/dbraw/zinc/04/78/76/663047876.db2.gz AFDINYCVXDPBQV-CQSZACIVSA-N 1 0 379.551 2.552 20 0 GFADRO Clc1cc(C[NH2+]CCc2ccns2)ccc1OCCN1CCOCC1 ZINC000883241166 663051815 /nfs/dbraw/zinc/05/18/15/663051815.db2.gz ODHQFMLLNWBGIS-UHFFFAOYSA-N 1 0 381.929 2.840 20 0 GFADRO CN(Cc1cscc1Br)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000883331606 663053550 /nfs/dbraw/zinc/05/35/50/663053550.db2.gz AYRASAKDXGOKBH-STQMWFEESA-N 1 0 388.331 2.515 20 0 GFADRO CC(C)(C)OC(=O)N1CCC[C@H]([NH2+]C[C@@H](O)C(F)(F)C(F)(F)F)CC1 ZINC000883361195 663053916 /nfs/dbraw/zinc/05/39/16/663053916.db2.gz WKJNEGCBHSARGZ-WDEREUQCSA-N 1 0 376.366 2.924 20 0 GFADRO CCC1([NH3+])CCN(S(=O)(=O)c2cc(Br)ccc2Cl)CC1 ZINC000883483646 663056097 /nfs/dbraw/zinc/05/60/97/663056097.db2.gz OUERTDOMIRAXFL-UHFFFAOYSA-N 1 0 381.723 2.995 20 0 GFADRO O=C(Nc1cc2c(cc1Br)OCCO2)N1CC[NH2+]CCC12CCC2 ZINC000883524345 663056681 /nfs/dbraw/zinc/05/66/81/663056681.db2.gz VSQBOFDTIGXYHL-UHFFFAOYSA-N 1 0 396.285 2.970 20 0 GFADRO Cc1ncc(Br)cc1NC(=O)N1CCc2sc(C[NH3+])nc2C1 ZINC000883567990 663057288 /nfs/dbraw/zinc/05/72/88/663057288.db2.gz PMMJGJVCSGBCIC-UHFFFAOYSA-N 1 0 382.287 2.658 20 0 GFADRO CCC1([NH3+])CCN(C(=O)C(=O)Nc2cc3c(cc2Br)CCC3)CC1 ZINC000883627359 663058387 /nfs/dbraw/zinc/05/83/87/663058387.db2.gz ZDSRZRPVTJUEBA-UHFFFAOYSA-N 1 0 394.313 2.606 20 0 GFADRO O=C(NC[C@@H]1CCCC[NH2+]1)c1cc(Br)nn1-c1ncccc1Cl ZINC000884017820 663063860 /nfs/dbraw/zinc/06/38/60/663063860.db2.gz HBHDBXCPUOAWRL-JTQLQIEISA-N 1 0 398.692 2.555 20 0 GFADRO O=C(Cc1csc(-c2sccc2Br)n1)N1CCC[NH2+]CC1 ZINC000884009459 663063862 /nfs/dbraw/zinc/06/38/62/663063862.db2.gz WYQZLDDVJSNRMC-UHFFFAOYSA-N 1 0 386.340 2.999 20 0 GFADRO COCC[C@H]([NH3+])C(=O)NCCCCSc1ccccc1Br ZINC000884132467 663065664 /nfs/dbraw/zinc/06/56/64/663065664.db2.gz QHVOGDGZSHVZOQ-ZDUSSCGKSA-N 1 0 375.332 2.801 20 0 GFADRO COc1c(C)cnc(CNC(=O)[C@@H]([NH3+])c2ccc(Br)cc2)c1C ZINC000884204893 663066856 /nfs/dbraw/zinc/06/68/56/663066856.db2.gz HBQSLQWDHKMJHO-HNNXBMFYSA-N 1 0 378.270 2.786 20 0 GFADRO O=C(COCCc1ccc(Br)cc1)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000884239281 663067417 /nfs/dbraw/zinc/06/74/17/663067417.db2.gz QXMKVYMAGSDYDN-AEFFLSMTSA-N 1 0 395.341 2.999 20 0 GFADRO O=C(N[C@@H]1CCC[NH2+]CC1)c1cc(Br)nn1-c1ncccc1Cl ZINC000884265805 663067809 /nfs/dbraw/zinc/06/78/09/663067809.db2.gz UNMGJNXHCLKXNS-SNVBAGLBSA-N 1 0 398.692 2.555 20 0 GFADRO CC(C)(Cc1ccc(Br)cc1)C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000884290397 663068230 /nfs/dbraw/zinc/06/82/30/663068230.db2.gz ZPKPTQHGHKIROJ-QGZVFWFLSA-N 1 0 394.357 2.524 20 0 GFADRO O=C(N[C@@H]1CC12CC[NH2+]CC2)c1ccc(OC(F)F)c(Br)c1 ZINC000884292455 663068369 /nfs/dbraw/zinc/06/83/69/663068369.db2.gz AIVRCIPTDWGHAH-GFCCVEGCSA-N 1 0 375.213 2.922 20 0 GFADRO CC1(C)[C@H](NC(=O)C2(c3ccc(Br)cc3)CCOCC2)C[C@@H]1[NH3+] ZINC000884353895 663069492 /nfs/dbraw/zinc/06/94/92/663069492.db2.gz IHMYITSTSISELZ-LSDHHAIUSA-N 1 0 381.314 2.739 20 0 GFADRO Cn1ncc2c1CC(C)(C)CN(C(=O)[C@H]([NH3+])c1ccc(Br)cc1)C2 ZINC000884425098 663070468 /nfs/dbraw/zinc/07/04/68/663070468.db2.gz WUBXRUKWQBITRZ-MRXNPFEDSA-N 1 0 391.313 2.794 20 0 GFADRO O=S(=O)(/C=C\c1ccc(Br)cc1)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000884950226 663079222 /nfs/dbraw/zinc/07/92/22/663079222.db2.gz MUVYTBUEJDYJTK-OXSAEWAQSA-N 1 0 385.327 2.966 20 0 GFADRO CN(Cc1c(Cl)cccc1Cl)C(=O)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000885015259 663083144 /nfs/dbraw/zinc/08/31/44/663083144.db2.gz WXANBGWJEBOHLI-CLLJXQQHSA-N 1 0 384.307 2.599 20 0 GFADRO O=C(C[C@H](O)c1cc(Cl)cc(Cl)c1)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000885876449 663100058 /nfs/dbraw/zinc/10/00/58/663100058.db2.gz RAHHSHYXSVCHRP-SJORKVTESA-N 1 0 387.307 2.786 20 0 GFADRO O=C(Nc1ccc(Br)cn1)C1CC[NH+](C[C@@H]2C[C@@]23CCOC3)CC1 ZINC000886051736 663102653 /nfs/dbraw/zinc/10/26/53/663102653.db2.gz CFSPWQSNRLHUNX-KBXCAEBGSA-N 1 0 394.313 2.921 20 0 GFADRO CCCOc1c(Br)cc(C[NH2+][C@@H]2C[C@@H](O)[C@@H](O)C2)cc1OCC ZINC000886241128 663105798 /nfs/dbraw/zinc/10/57/98/663105798.db2.gz PCEBFGJVICLMEG-XMQYKBBCSA-N 1 0 388.302 2.610 20 0 GFADRO C[C@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH2+][C@@H]1C[C@@H](O)[C@@H](O)C1 ZINC000886247031 663105975 /nfs/dbraw/zinc/10/59/75/663105975.db2.gz FFWFRHRXQAHBET-NKBRHBOISA-N 1 0 380.794 2.550 20 0 GFADRO O[C@@H]1CC[C@H]([NH2+]Cc2nc(-c3ccc(Br)cc3)c[nH]2)CC[C@@H]1O ZINC000886260330 663106501 /nfs/dbraw/zinc/10/65/01/663106501.db2.gz URTASMNLXORPKU-RBVVOMGSSA-N 1 0 380.286 2.593 20 0 GFADRO COC(=O)c1cc2n(n1)CCC[C@H]2[NH2+]C[C@@H](O)c1ccccc1Br ZINC000886623637 663114948 /nfs/dbraw/zinc/11/49/48/663114948.db2.gz JQPHZVCGBOOKFF-CZUORRHYSA-N 1 0 394.269 2.590 20 0 GFADRO COC(=O)c1cc2n(n1)CCC[C@H]2[NH2+]C[C@H](O)c1ccccc1Br ZINC000886623636 663114974 /nfs/dbraw/zinc/11/49/74/663114974.db2.gz JQPHZVCGBOOKFF-CJNGLKHVSA-N 1 0 394.269 2.590 20 0 GFADRO O=S(=O)(NC[C@@H]1C[NH2+]CCC1(F)F)c1cc(Cl)cc(C(F)(F)F)c1 ZINC000886897814 663124056 /nfs/dbraw/zinc/12/40/56/663124056.db2.gz IREVKXNUDQXBRJ-VIFPVBQESA-N 1 0 392.777 2.882 20 0 GFADRO COc1cc(OC)c(S(=O)(=O)N2CCCC[C@]3(CC[NH2+]C3)C2)cc1Cl ZINC000886901180 663124211 /nfs/dbraw/zinc/12/42/11/663124211.db2.gz RUJGPMUGAIIPLQ-QGZVFWFLSA-N 1 0 388.917 2.512 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)C(=O)Nc2cc(Br)c3ccccc3c2)C1 ZINC000886984091 663127347 /nfs/dbraw/zinc/12/73/47/663127347.db2.gz QOGNVJRCWVMBCX-YPMHNXCESA-N 1 0 390.281 2.737 20 0 GFADRO CN(CC(C)(C)[NH3+])C(=O)C(=O)Nc1cc(Br)c2ccccc2c1 ZINC000886984087 663127380 /nfs/dbraw/zinc/12/73/80/663127380.db2.gz QNUZBRQBNRORLZ-UHFFFAOYSA-N 1 0 378.270 2.737 20 0 GFADRO CCN(C(=O)C(=O)Nc1cc(Cl)cc(C)c1Br)[C@@H]1CC[NH2+]C1 ZINC000887007035 663128454 /nfs/dbraw/zinc/12/84/54/663128454.db2.gz BONRUOWBKBSBTB-LLVKDONJSA-N 1 0 388.693 2.560 20 0 GFADRO CC(C)c1ncsc1NC(=O)C(=O)N(CC[NH3+])Cc1cccc(Cl)c1 ZINC000887031411 663129566 /nfs/dbraw/zinc/12/95/66/663129566.db2.gz BZBGBFFBERRDPU-UHFFFAOYSA-N 1 0 380.901 2.846 20 0 GFADRO C[C@@H]1CCCN(Cc2csc(NC(=O)N[C@@H](CCO)C(F)(F)F)n2)C1 ZINC000887202799 663138869 /nfs/dbraw/zinc/13/88/69/663138869.db2.gz XEAAVVHNUQHBMP-PWSUYJOCSA-N 1 0 380.436 2.810 20 0 GFADRO C[C@@H]1Cc2cc(-c3csc([C@@H]4CCC[NH2+]C4)n3)ccc2N1S(C)(=O)=O ZINC000887275431 663140609 /nfs/dbraw/zinc/14/06/09/663140609.db2.gz FRDSNMFDQHYLQF-TZMCWYRMSA-N 1 0 377.535 2.988 20 0 GFADRO Cn1cc(C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2ccccc2)c(Br)n1 ZINC000888554099 663204807 /nfs/dbraw/zinc/20/48/07/663204807.db2.gz CTKRJQKZFORMRT-HNNXBMFYSA-N 1 0 391.313 2.967 20 0 GFADRO Cn1cc(C(=O)N(CC[NH+]2CCCC2)c2ccccc2)c(Br)n1 ZINC000889112685 663232580 /nfs/dbraw/zinc/23/25/80/663232580.db2.gz CBROYTDAAGIKRO-UHFFFAOYSA-N 1 0 377.286 2.925 20 0 GFADRO O=C(NCc1ncc(Br)cn1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000889714641 663258069 /nfs/dbraw/zinc/25/80/69/663258069.db2.gz ORNCWAANMAEOCG-UHFFFAOYSA-N 1 0 375.270 2.765 20 0 GFADRO O=C([C@@H]1C[C@H]1c1ccc(Br)cc1)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000889751452 663263449 /nfs/dbraw/zinc/26/34/49/663263449.db2.gz QQZXLZSFJMRNIR-XWTMOSNGSA-N 1 0 393.325 2.610 20 0 GFADRO O=C(c1cc(-c2ccc(Cl)s2)on1)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000889775163 663266191 /nfs/dbraw/zinc/26/61/91/663266191.db2.gz LQIHOUOUNFASHC-QWHCGFSZSA-N 1 0 381.885 2.728 20 0 GFADRO O=C(c1cn2c(Br)cnc2s1)N1CCC([NH2+]C2CCC2)CC1 ZINC000889824604 663270518 /nfs/dbraw/zinc/27/05/18/663270518.db2.gz JBLOLOCTROCRER-UHFFFAOYSA-N 1 0 383.315 2.905 20 0 GFADRO Cn1cc(C(=O)NC[C@]2(C)CCC[N@@H+]2Cc2ccccc2)c(Br)n1 ZINC000890055976 663282754 /nfs/dbraw/zinc/28/27/54/663282754.db2.gz LKYPIVKWGLWCNB-SFHVURJKSA-N 1 0 391.313 2.967 20 0 GFADRO O=C(NCc1cc(Br)ccc1F)NC[C@H]1C[NH2+]CCC1(F)F ZINC000891362634 663337327 /nfs/dbraw/zinc/33/73/27/663337327.db2.gz BFYMUPJOAZVRES-SNVBAGLBSA-N 1 0 380.208 2.632 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)NCc2cc(Br)cs2)C[C@H]1C(F)(F)F ZINC000891368576 663337407 /nfs/dbraw/zinc/33/74/07/663337407.db2.gz FGHPBWFWFYKLOF-OIBJUYFYSA-N 1 0 386.237 2.789 20 0 GFADRO CCN(C(=O)N[C@H](C)c1cc2c(cc1Br)OCCO2)[C@@H]1CC[NH2+]C1 ZINC000891393556 663338112 /nfs/dbraw/zinc/33/81/12/663338112.db2.gz AANJAMPIZYKTIA-VXGBXAGGSA-N 1 0 398.301 2.675 20 0 GFADRO C[N@H+](CCCCNC(=O)[C@@H]1Cc2ccc(Br)cc2C(=O)O1)C1CC1 ZINC000891406511 663338740 /nfs/dbraw/zinc/33/87/40/663338740.db2.gz HHWHOQJKLNIQEI-INIZCTEOSA-N 1 0 395.297 2.521 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)NCc2ccc(Br)c(F)c2)C[C@H]1C(F)(F)F ZINC000891542509 663343190 /nfs/dbraw/zinc/34/31/90/663343190.db2.gz GMJZJAFVJQFLLN-NXEZZACHSA-N 1 0 398.198 2.867 20 0 GFADRO CSCc1cc(F)ccc1CNC(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000891666007 663346836 /nfs/dbraw/zinc/34/68/36/663346836.db2.gz YAKORSHWWQHYAG-GXTWGEPZSA-N 1 0 379.423 2.967 20 0 GFADRO Cc1cc(CNC(=O)N2CCC[C@@H]3[NH2+]CC[C@@H]32)ccc1I ZINC000891874435 663353866 /nfs/dbraw/zinc/35/38/66/663353866.db2.gz KKWTYFGOAFGXHC-GJZGRUSLSA-N 1 0 399.276 2.636 20 0 GFADRO CC(C)[C@H](CNC(=O)NCc1ncc(Br)cn1)[NH+]1CCC(C)CC1 ZINC000891876261 663354012 /nfs/dbraw/zinc/35/40/12/663354012.db2.gz HFXAZTQVKWBJIF-HNNXBMFYSA-N 1 0 398.349 2.795 20 0 GFADRO COc1cc(CCNC(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)ccc1Cl ZINC000891921790 663355668 /nfs/dbraw/zinc/35/56/68/663355668.db2.gz VVTZNCOYBDFZRZ-NEPJUHHUSA-N 1 0 379.810 2.670 20 0 GFADRO COC[C@@H](CNC(=O)NC[C@@H]1C[NH2+]CCC1(F)F)c1ccc(Cl)cc1 ZINC000891935368 663355762 /nfs/dbraw/zinc/35/57/62/663355762.db2.gz GVLGZEAOFWBGGW-KGLIPLIRSA-N 1 0 375.847 2.614 20 0 GFADRO COC[C@H](CNC(=O)NC[C@@H]1C[NH2+]CCC1(F)F)c1ccc(Cl)cc1 ZINC000891935367 663355865 /nfs/dbraw/zinc/35/58/65/663355865.db2.gz GVLGZEAOFWBGGW-KBPBESRZSA-N 1 0 375.847 2.614 20 0 GFADRO O=C(N[C@H]1[C@@H]2Cc3cc(Br)ccc3[C@@H]21)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000892427799 663373343 /nfs/dbraw/zinc/37/33/43/663373343.db2.gz PZRJVFGOPJUVAS-ORQFMDKSSA-N 1 0 376.298 2.623 20 0 GFADRO O=C(N[C@H]1[C@@H]2Cc3cc(Br)ccc3[C@@H]21)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000892427121 663373409 /nfs/dbraw/zinc/37/34/09/663373409.db2.gz LBOHXIJTEOCNGL-VUHPKUFZSA-N 1 0 390.325 2.872 20 0 GFADRO O=C1NC2(CCCC2)C(=O)N1CCC[NH2+]Cc1csc(C(F)(F)F)n1 ZINC000892457646 663374488 /nfs/dbraw/zinc/37/44/88/663374488.db2.gz NBSUZWHPYWNSJJ-UHFFFAOYSA-N 1 0 376.404 2.506 20 0 GFADRO CCCS(=O)(=O)N1CCC([NH2+]Cc2cnc(CC(F)(F)F)s2)CC1 ZINC000892570082 663377487 /nfs/dbraw/zinc/37/74/87/663377487.db2.gz JMKLEGJVMWGLJV-UHFFFAOYSA-N 1 0 385.477 2.542 20 0 GFADRO O=C(NCc1ccc(Br)cn1)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000892615300 663378763 /nfs/dbraw/zinc/37/87/63/663378763.db2.gz BWQHLSDCOWHWCF-CZUORRHYSA-N 1 0 381.318 2.908 20 0 GFADRO Cn1cc([C@@H]2CN(C(=O)NCc3cc(Cl)cc(Cl)c3F)C[C@H]2[NH3+])cn1 ZINC000892621679 663379008 /nfs/dbraw/zinc/37/90/08/663379008.db2.gz XPHNCNUNOGJTJB-GXTWGEPZSA-N 1 0 386.258 2.502 20 0 GFADRO CN(CCOc1ccc(Cl)cc1)C(=O)N1CCc2sc(C[NH3+])nc2C1 ZINC000892884541 663388218 /nfs/dbraw/zinc/38/82/18/663388218.db2.gz FTLFRWNUAGCBBO-UHFFFAOYSA-N 1 0 380.901 2.744 20 0 GFADRO C[NH+](C)CCC[C@@H]1CN(C(=O)c2sc(Cl)nc2C(F)(F)F)CCO1 ZINC000893050836 663394771 /nfs/dbraw/zinc/39/47/71/663394771.db2.gz RQJGVNYGEMRCNA-SECBINFHSA-N 1 0 385.839 2.998 20 0 GFADRO COCCOC[C@H](C)[NH2+][C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000893140219 663398585 /nfs/dbraw/zinc/39/85/85/663398585.db2.gz SIZSYFMSHDONJF-WCQYABFASA-N 1 0 381.826 2.974 20 0 GFADRO CC(C)Cc1ccc(C[NH2+]C2CCN(S(=O)(=O)C(F)(F)F)CC2)cn1 ZINC000893155212 663399214 /nfs/dbraw/zinc/39/92/14/663399214.db2.gz FOJUJPKGIBYTKZ-UHFFFAOYSA-N 1 0 379.448 2.684 20 0 GFADRO O=C(C[NH2+][C@H]1CCC2(C[C@@H]1F)OCCO2)Nc1ccc(Br)cc1 ZINC000893319221 663407236 /nfs/dbraw/zinc/40/72/36/663407236.db2.gz QWPCITPZJOTJDU-KBPBESRZSA-N 1 0 387.249 2.611 20 0 GFADRO O=C(NCC(F)(F)F)[C@H]1CC[N@H+](Cc2cnc(CC(F)(F)F)s2)C1 ZINC000893710071 663421476 /nfs/dbraw/zinc/42/14/76/663421476.db2.gz FSKYSSYPGGHCDO-QMMMGPOBSA-N 1 0 375.338 2.748 20 0 GFADRO OCC[N@H+](Cc1cc(Br)cs1)[C@H]1CCC2(C[C@H]1F)OCCO2 ZINC000894022762 663438067 /nfs/dbraw/zinc/43/80/67/663438067.db2.gz CVPGEDRKCYJCIN-KGLIPLIRSA-N 1 0 394.306 2.939 20 0 GFADRO CC(=O)Nc1cc(Br)ccc1C[N@@H+](C)CCN1C[C@@H](C)O[C@@H](C)C1 ZINC000894110697 663443010 /nfs/dbraw/zinc/44/30/10/663443010.db2.gz OVYNEOQQRXCLKS-OKILXGFUSA-N 1 0 398.345 2.949 20 0 GFADRO Cc1cc(Br)cn2cc(CNC(=O)N(C)[C@@H]3CCC[N@H+](C)C3)nc12 ZINC000894193710 663447851 /nfs/dbraw/zinc/44/78/51/663447851.db2.gz GZNTWTNYMRUZCC-OAHLLOKOSA-N 1 0 394.317 2.641 20 0 GFADRO Cc1ccc([C@H](CNCc2nc(Br)nn2C)[NH+]2CCCC2)cc1 ZINC000894211801 663449093 /nfs/dbraw/zinc/44/90/93/663449093.db2.gz UFYQHZRIABINHY-HNNXBMFYSA-N 1 0 378.318 2.813 20 0 GFADRO O=S(=O)(C(F)F)N1CCC(C[NH2+]Cc2cc3c(cccc3O)s2)CC1 ZINC000894259608 663451503 /nfs/dbraw/zinc/45/15/03/663451503.db2.gz DRHQKKNGBSXKNO-UHFFFAOYSA-N 1 0 390.477 2.961 20 0 GFADRO CN(Cc1cnc(CC(F)(F)F)s1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000894459853 663462967 /nfs/dbraw/zinc/46/29/67/663462967.db2.gz PYJZDLWGZIMEHB-AWEZNQCLSA-N 1 0 376.492 2.848 20 0 GFADRO Cn1nc(Br)nc1C[NH2+][C@@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000894535974 663467454 /nfs/dbraw/zinc/46/74/54/663467454.db2.gz ZUMXPGFVACYTMI-MNOVXSKESA-N 1 0 388.310 2.503 20 0 GFADRO CCO[C@@H](C[NH2+]Cc1cn(C)nc1I)c1ccccc1 ZINC000894576465 663469820 /nfs/dbraw/zinc/46/98/20/663469820.db2.gz UJGCTAIKBGXOFY-AWEZNQCLSA-N 1 0 385.249 2.892 20 0 GFADRO C[NH+](C)CCC[C@H]1CN(c2ncc(Br)c3cccnc32)CCO1 ZINC000894646613 663474362 /nfs/dbraw/zinc/47/43/62/663474362.db2.gz YVIPBDYGXOOYCL-ZDUSSCGKSA-N 1 0 379.302 2.939 20 0 GFADRO CN(Cc1cn(C)nc1I)Cc1ccc(C[NH+](C)C)cc1 ZINC000894766829 663480402 /nfs/dbraw/zinc/48/04/02/663480402.db2.gz VBBCCVMSMZEMTM-UHFFFAOYSA-N 1 0 398.292 2.718 20 0 GFADRO CSCc1cnc(CNc2ccc3c(c2)[nH+]c(C)n3C(CO)CO)s1 ZINC000894919758 663488351 /nfs/dbraw/zinc/48/83/51/663488351.db2.gz UIKYYVUYRKCZRS-UHFFFAOYSA-N 1 0 378.523 2.802 20 0 GFADRO Cc1[nH+]c2cc(NCc3ccc(Br)o3)ccc2n1C(CO)CO ZINC000894921707 663488409 /nfs/dbraw/zinc/48/84/09/663488409.db2.gz KMIDHUQUHIPUII-UHFFFAOYSA-N 1 0 380.242 2.838 20 0 GFADRO C[NH+](C)Cc1ccc(NC(=O)C[C@@H]2CCS(=O)(=O)C2)cc1C(F)(F)F ZINC000894980090 663493018 /nfs/dbraw/zinc/49/30/18/663493018.db2.gz JFUMIKUMUNKGRU-NSHDSACASA-N 1 0 378.416 2.530 20 0 GFADRO C[C@H]([NH2+][C@H]1CCN(C)[C@H](c2ccc(Br)cc2)C1)C1N=NC(=O)N1C ZINC000895171460 663501689 /nfs/dbraw/zinc/50/16/89/663501689.db2.gz OADMMODIWKFGCD-CQDKDKBSSA-N 1 0 394.317 2.769 20 0 GFADRO C[C@@H](Nc1ncncc1-c1ccc(Br)cc1)[C@@H]1C[N@H+](C)CCN1C ZINC000895250032 663505232 /nfs/dbraw/zinc/50/52/32/663505232.db2.gz ZLFPGSUAWCTPEZ-DYVFJYSZSA-N 1 0 390.329 2.952 20 0 GFADRO Cc1ccc(Br)nc1C(=O)N1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000895267399 663506199 /nfs/dbraw/zinc/50/61/99/663506199.db2.gz GZZRWPIPBUIVRY-ZDUSSCGKSA-N 1 0 375.270 2.898 20 0 GFADRO C[N@@H+]1CCC[C@@H](CCNC(=O)N[C@@](C)(CO)c2cccc(Br)c2)C1 ZINC000895321370 663508332 /nfs/dbraw/zinc/50/83/32/663508332.db2.gz YYNAXXPXMKLLMZ-KSSFIOAISA-N 1 0 398.345 2.688 20 0 GFADRO CC(C)(C)OC(=O)N1CC2(C1)C[C@H]([NH2+]C[C@H]1C[C@]1(C)Br)CO2 ZINC000895356353 663509799 /nfs/dbraw/zinc/50/97/99/663509799.db2.gz VUXJLXZPUACCDC-XUJVJEKNSA-N 1 0 375.307 2.528 20 0 GFADRO COC(=O)c1ccc(CN2CC[C@H]3CC[C@@H](C2)[S@@]3=O)c(C(F)(F)F)c1 ZINC000895404301 663511973 /nfs/dbraw/zinc/51/19/73/663511973.db2.gz DDMMRBDKQRFFPX-PJGQNWHFSA-N 1 0 375.412 2.977 20 0 GFADRO Cn1cc(C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)c(Br)n1 ZINC000895466964 663515941 /nfs/dbraw/zinc/51/59/41/663515941.db2.gz JHKDCPKSWJLXOV-LBPRGKRZSA-N 1 0 383.315 2.811 20 0 GFADRO CC[N@H+](C)Cc1cc(O[C@H]2CCN(Cc3nc(Br)c[nH]3)C2)ccn1 ZINC000895501178 663517150 /nfs/dbraw/zinc/51/71/50/663517150.db2.gz TUIAYVIXQXDBTK-HNNXBMFYSA-N 1 0 394.317 2.672 20 0 GFADRO CCOC(=O)c1sc([C@@H]2CC[N@H+](Cc3cc(C(N)=O)cs3)C2)nc1C ZINC000895581418 663519624 /nfs/dbraw/zinc/51/96/24/663519624.db2.gz ADHBSFBLTIQFPN-LLVKDONJSA-N 1 0 379.507 2.778 20 0 GFADRO C[C@H]([NH2+][C@@H](CN(C)C)c1cccc(C(F)(F)F)c1)[C@H]1CCS(=O)(=O)C1 ZINC000895691702 663523327 /nfs/dbraw/zinc/52/33/27/663523327.db2.gz KVOVPJHKYUSOIO-NOLJZWGESA-N 1 0 378.460 2.721 20 0 GFADRO C[C@H](C[C@H]1CCCC(=O)N1)[NH2+][C@@H]1CCc2cc(Br)ccc2NC1=O ZINC000895693739 663523425 /nfs/dbraw/zinc/52/34/25/663523425.db2.gz BLCRMGLHGZXIFI-DJSGYFEHSA-N 1 0 394.313 2.739 20 0 GFADRO COc1ccc(F)cc1CC[NH2+]Cc1c(I)cnn1C ZINC000895805081 663528278 /nfs/dbraw/zinc/52/82/78/663528278.db2.gz RAMLXGLXFAJHOS-UHFFFAOYSA-N 1 0 389.212 2.505 20 0 GFADRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1nn2c(c1Br)CCC2 ZINC000896023208 663538026 /nfs/dbraw/zinc/53/80/26/663538026.db2.gz GJLYKKNUBCJMQB-CYBMUJFWSA-N 1 0 383.334 2.976 20 0 GFADRO C[C@@H]([NH2+]Cc1ccn(-c2ccc(Br)cc2)n1)[C@H]1CCS(=O)(=O)C1 ZINC000896052760 663539022 /nfs/dbraw/zinc/53/90/22/663539022.db2.gz HTQHSAAPITUTEU-OLZOCXBDSA-N 1 0 398.326 2.548 20 0 GFADRO O=C(Nc1nnc(-c2cccc(Cl)c2)s1)C1C[NH+](C2CCOCC2)C1 ZINC000896132553 663542069 /nfs/dbraw/zinc/54/20/69/663542069.db2.gz OLVPOECSSDVGLB-UHFFFAOYSA-N 1 0 378.885 2.908 20 0 GFADRO Cc1cc(C)c(CC(=O)NC[C@@H](C)N2CC[NH+](C)CC2)c(C)c1Br ZINC000896427562 663556962 /nfs/dbraw/zinc/55/69/62/663556962.db2.gz BOLJVDKZYYUKQK-OAHLLOKOSA-N 1 0 396.373 2.669 20 0 GFADRO O[C@H]1C[C@](C[NH2+]Cc2cnn3cc(Br)cnc23)(c2ccccc2)C1 ZINC000896451003 663558214 /nfs/dbraw/zinc/55/82/14/663558214.db2.gz AXVDBXSQNPIOFN-SAABIXHNSA-N 1 0 387.281 2.674 20 0 GFADRO Cc1c2cc(C(=O)N[C@@H](C)[C@H]3C[N@H+](C)CCN3C)[nH]c2ccc1Br ZINC000896532385 663561366 /nfs/dbraw/zinc/56/13/66/663561366.db2.gz KJUFADCMVHBSKA-YVEFUNNKSA-N 1 0 393.329 2.603 20 0 GFADRO C[C@H](NC(=O)c1cc(Cl)cc(F)c1Br)[C@H]1C[N@H+](C)CCN1C ZINC000896542958 663562668 /nfs/dbraw/zinc/56/26/68/663562668.db2.gz UUBBFCSYEAFXDN-TVQRCGJNSA-N 1 0 392.700 2.606 20 0 GFADRO CC(C)Oc1cc(Br)cc(C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCN2C)c1 ZINC000896556384 663563671 /nfs/dbraw/zinc/56/36/71/663563671.db2.gz PEFBKGUXEMPAIN-DYVFJYSZSA-N 1 0 398.345 2.600 20 0 GFADRO C[C@@H](NC(=O)CSc1cc(Cl)ccc1Cl)[C@H]1C[N@H+](C)CCN1C ZINC000896582165 663565807 /nfs/dbraw/zinc/56/58/07/663565807.db2.gz UXBWBESZTNJZBQ-BXUZGUMPSA-N 1 0 376.353 2.836 20 0 GFADRO COc1cc(Br)cc(CNC(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3C)c1 ZINC000896649312 663569406 /nfs/dbraw/zinc/56/94/06/663569406.db2.gz HFZUBNOMDZJBSW-HOTGVXAUSA-N 1 0 382.302 2.836 20 0 GFADRO COc1cc2[nH+]ccc(N[C@H]3CCc4nnn(C)c4C3)c2cc1Br ZINC000896674807 663571111 /nfs/dbraw/zinc/57/11/11/663571111.db2.gz RTVIQYOIACZAJW-JTQLQIEISA-N 1 0 388.269 2.526 20 0 GFADRO C[C@@H]1CCN(C(=O)c2cn(C)nc2Br)CC[N@@H+]1Cc1ccccc1 ZINC000896758629 663574898 /nfs/dbraw/zinc/57/48/98/663574898.db2.gz NXOIZPIUPZGJPX-CQSZACIVSA-N 1 0 391.313 2.919 20 0 GFADRO Cc1nc(CC(F)(F)F)sc1CC(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000896835969 663578657 /nfs/dbraw/zinc/57/86/57/663578657.db2.gz UQGYVNWIXAGDOP-AWEZNQCLSA-N 1 0 381.489 2.652 20 0 GFADRO C[N@@H+]1C[C@@H]2CN(c3ncnc4c3c(Br)nn4C(C)(C)C)C[C@]2(C)C1 ZINC000896912095 663581424 /nfs/dbraw/zinc/58/14/24/663581424.db2.gz MJIASVAIKSVQKS-DIFFPNOSSA-N 1 0 393.333 2.732 20 0 GFADRO COc1cc(Br)c(C[NH2+]C[C@@H]2CCC3(CCOCC3)O2)cc1O ZINC000896920008 663581625 /nfs/dbraw/zinc/58/16/25/663581625.db2.gz CGTGQPMDJBFQEH-ZDUSSCGKSA-N 1 0 386.286 2.981 20 0 GFADRO O=C(CCCc1ccc(Br)cc1)NCCC[NH+]1CCC(O)CC1 ZINC000896931893 663582113 /nfs/dbraw/zinc/58/21/13/663582113.db2.gz BPIRZMVLVLKUHM-UHFFFAOYSA-N 1 0 383.330 2.735 20 0 GFADRO CN1CCN(c2ccc(-c3ccc(Br)s3)nn2)CC[N@H+](C)CC1 ZINC000897094047 663591702 /nfs/dbraw/zinc/59/17/02/663591702.db2.gz GOIHRANSIXBQFG-UHFFFAOYSA-N 1 0 396.358 2.651 20 0 GFADRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)c2nn3c(c2Br)CCC3)C1 ZINC000897102110 663591878 /nfs/dbraw/zinc/59/18/78/663591878.db2.gz ZDMXBYRAWGMEQM-ZDUSSCGKSA-N 1 0 383.334 2.690 20 0 GFADRO OCC[N@@H+]1CCC[C@H]2[C@@H]1CCN2c1nnc(Cc2ccc(Cl)cc2)s1 ZINC000897222633 663595601 /nfs/dbraw/zinc/59/56/01/663595601.db2.gz WKLGSTXILFMCPP-HOTGVXAUSA-N 1 0 378.929 2.818 20 0 GFADRO OCc1c[nH+]ccc1N1CCn2c(c(Br)nc2C(F)(F)F)C1 ZINC000897275582 663597996 /nfs/dbraw/zinc/59/79/96/663597996.db2.gz OYDXDTRYDZOJLR-UHFFFAOYSA-N 1 0 377.164 2.572 20 0 GFADRO C[C@H](NC(=O)C1C[NH+](C2CCOCC2)C1)[C@H](O)c1c(Cl)cccc1Cl ZINC000897313256 663600183 /nfs/dbraw/zinc/60/01/83/663600183.db2.gz YJHFFJCXFRTENF-GTNSWQLSSA-N 1 0 387.307 2.642 20 0 GFADRO O=C(COCCc1ccc(Br)cc1)NCC1CC[NH+](C2CC2)CC1 ZINC000897587562 663612733 /nfs/dbraw/zinc/61/27/33/663612733.db2.gz XBQMDKJWXDEWGH-UHFFFAOYSA-N 1 0 395.341 2.999 20 0 GFADRO O=C(N[C@@H]1CSc2ccc(Br)cc21)C1C[NH+](C2CCOCC2)C1 ZINC000897594140 663613011 /nfs/dbraw/zinc/61/30/11/663613011.db2.gz RFTLLWWUFXQYIN-OAHLLOKOSA-N 1 0 397.338 2.823 20 0 GFADRO CC[N@H+](CCC(=O)NC)Cc1cc(Br)cc(Br)c1N ZINC000897709454 663616717 /nfs/dbraw/zinc/61/67/17/663616717.db2.gz DSRKBNYQJOCZMV-UHFFFAOYSA-N 1 0 393.123 2.752 20 0 GFADRO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+][C@@H]1CCSC(C)(C)C1 ZINC000897799426 663620837 /nfs/dbraw/zinc/62/08/37/663620837.db2.gz HLVVZGKNGQVFIT-OLZOCXBDSA-N 1 0 391.990 2.968 20 0 GFADRO C[N@@H+]1CC[C@@H](NC(=O)C(=O)NCc2cscc2Cl)[C@@H]1c1ccccc1 ZINC000897923761 663625784 /nfs/dbraw/zinc/62/57/84/663625784.db2.gz GSXJZCJBMHWLJM-CVEARBPZSA-N 1 0 377.897 2.579 20 0 GFADRO O=C(Nc1cccc2c(Br)ccnc12)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000897919679 663625836 /nfs/dbraw/zinc/62/58/36/663625836.db2.gz PRCJNVWCJKKTNE-GFCCVEGCSA-N 1 0 376.254 2.657 20 0 GFADRO COc1ccc(C[NH2+][C@@H]2Cc3cc(Br)cnc3NC2=O)cc1F ZINC000897979336 663628857 /nfs/dbraw/zinc/62/88/57/663628857.db2.gz YYNIOJRJWWLCPM-CYBMUJFWSA-N 1 0 380.217 2.645 20 0 GFADRO COc1ccc(C[NH2+]C[C@]2(c3cnn(C)c3)CCCO2)c(Br)c1O ZINC000898056708 663631529 /nfs/dbraw/zinc/63/15/29/663631529.db2.gz MKGTUEWQVUDYDU-KRWDZBQOSA-N 1 0 396.285 2.692 20 0 GFADRO COc1ccc(C[NH2+]C[C@@]2(c3cnn(C)c3)CCCO2)c(Br)c1 ZINC000898053786 663631537 /nfs/dbraw/zinc/63/15/37/663631537.db2.gz ILYSUFAALDMHOI-QGZVFWFLSA-N 1 0 380.286 2.987 20 0 GFADRO Cn1cc(CN2CC[C@H](Cc3nccs3)C2)c(I)n1 ZINC000898067596 663632146 /nfs/dbraw/zinc/63/21/46/663632146.db2.gz FUJYMEUQUSUNTB-SNVBAGLBSA-N 1 0 388.278 2.546 20 0 GFADRO COC(=O)c1ccc(C[NH2+][C@H]2CCOC23CCOCC3)cc1Br ZINC000898111880 663633975 /nfs/dbraw/zinc/63/39/75/663633975.db2.gz HKBMPRZUFIMVAS-HNNXBMFYSA-N 1 0 384.270 2.663 20 0 GFADRO O=C(COc1ccc(Cl)c(Cl)c1)N1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000898120433 663634547 /nfs/dbraw/zinc/63/45/47/663634547.db2.gz CENLGUQVKAFATM-UHFFFAOYSA-N 1 0 387.307 2.725 20 0 GFADRO Cc1c(Br)cccc1C(=O)N1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000898118893 663634565 /nfs/dbraw/zinc/63/45/65/663634565.db2.gz ZTGPPHWCTBOCGT-UHFFFAOYSA-N 1 0 381.314 2.724 20 0 GFADRO CN(C)[S@@](C)(=O)=NCC1CC[NH+](Cc2c[nH]nc2-c2ccsc2)CC1 ZINC000898397740 663648189 /nfs/dbraw/zinc/64/81/89/663648189.db2.gz CTFOFMRQQWQBKA-VWLOTQADSA-N 1 0 381.571 2.925 20 0 GFADRO COC(=O)c1ccc(C[NH2+][C@H]2CCc3ncc(Br)n3C2)cc1F ZINC000898720222 663660241 /nfs/dbraw/zinc/66/02/41/663660241.db2.gz KLBXMLXEJOPLPK-NSHDSACASA-N 1 0 382.233 2.676 20 0 GFADRO O=C(N[C@H]1CSCc2ccc(Br)cc21)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000898723989 663661304 /nfs/dbraw/zinc/66/13/04/663661304.db2.gz MADOKVNKJHMOCM-ZBFHGGJFSA-N 1 0 397.338 2.574 20 0 GFADRO C[N@@H+]1CC[C@H](C(=O)N2CCn3ncc(Br)c3C2)[C@@H]1c1ccccc1 ZINC000898791522 663664284 /nfs/dbraw/zinc/66/42/84/663664284.db2.gz SKSZCWVNIIIRCM-YOEHRIQHSA-N 1 0 389.297 2.681 20 0 GFADRO CC(C)(CNC(=O)Cc1ccccc1I)n1ccnc1 ZINC000898905290 663669017 /nfs/dbraw/zinc/66/90/17/663669017.db2.gz XQQYWNQQJDUINK-UHFFFAOYSA-N 1 0 383.233 2.582 20 0 GFADRO COc1ccc(C(=O)NCC(C)(C)n2ccnc2)cc1I ZINC000898904120 663669044 /nfs/dbraw/zinc/66/90/44/663669044.db2.gz ASQRKONQDVHQOL-UHFFFAOYSA-N 1 0 399.232 2.661 20 0 GFADRO O=C(CSC[C@H]1CCCCO1)Nc1ccc(NC2=[NH+]CCN2)c(Cl)c1 ZINC000899048574 663673352 /nfs/dbraw/zinc/67/33/52/663673352.db2.gz AHUCCHZFTNRFIC-CYBMUJFWSA-N 1 0 382.917 2.952 20 0 GFADRO C[NH+]1CCC(C(=O)NCc2ccn(-c3ccc(Br)cc3)n2)CC1 ZINC000899459731 663689068 /nfs/dbraw/zinc/68/90/68/663689068.db2.gz PCUGWDQRBRJMDP-UHFFFAOYSA-N 1 0 377.286 2.593 20 0 GFADRO Cc1nc(-c2ccc(CCNC(=O)C[C@@]3(O)CCC[N@@H+](C)C3)s2)cs1 ZINC000900039390 663706891 /nfs/dbraw/zinc/70/68/91/663706891.db2.gz RTXYVRBOVOXEID-SFHVURJKSA-N 1 0 379.551 2.686 20 0 GFADRO C[N@@H+]1CCC[C@@](O)(CC(=O)N2CCC[C@@H]2c2cccc(Br)c2)C1 ZINC000900286901 663711635 /nfs/dbraw/zinc/71/16/35/663711635.db2.gz VZJLILOJLULHSF-SJLPKXTDSA-N 1 0 381.314 2.959 20 0 GFADRO CCCS(=O)(=O)Nc1cc(NC(=O)C[N@H+](C)C2CCC2)c(F)cc1F ZINC000900510422 663716134 /nfs/dbraw/zinc/71/61/34/663716134.db2.gz CMSUQXSLCCCYEJ-UHFFFAOYSA-N 1 0 375.441 2.539 20 0 GFADRO O=C(c1cc2ncc(Br)cn2n1)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000900539112 663716519 /nfs/dbraw/zinc/71/65/19/663716519.db2.gz BKMIBBGVYOHSNA-AWEZNQCLSA-N 1 0 392.301 2.582 20 0 GFADRO O=C(NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1ccnc(Cl)c1Cl ZINC000901067146 663729841 /nfs/dbraw/zinc/72/98/41/663729841.db2.gz JDCBQKNNWVAIED-CQSZACIVSA-N 1 0 380.275 2.537 20 0 GFADRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@@H]2CCc3ncc(Br)n3C2)cc1 ZINC000901727200 663743690 /nfs/dbraw/zinc/74/36/90/663743690.db2.gz DPQNTRYVXZITSM-WCQYABFASA-N 1 0 393.285 2.586 20 0 GFADRO C[C@H]([NH2+][C@H]1CCc2ncc(Br)n2C1)c1cn(-c2ccccc2)nn1 ZINC000901727149 663743719 /nfs/dbraw/zinc/74/37/19/663743719.db2.gz CVMHBSPUPLBQEM-STQMWFEESA-N 1 0 387.285 2.892 20 0 GFADRO Cc1ccccc1CNC(=O)[C@@H](C)[NH2+][C@H]1CCc2ncc(Br)n2C1 ZINC000901728117 663743732 /nfs/dbraw/zinc/74/37/32/663743732.db2.gz KXTYSOCSPXBJBM-HIFRSBDPSA-N 1 0 391.313 2.563 20 0 GFADRO C[C@H]([NH2+]C1CCN(CCS(C)(=O)=O)CC1)c1ccc(C(F)(F)F)s1 ZINC000902797460 663767623 /nfs/dbraw/zinc/76/76/23/663767623.db2.gz WGZOYNIQCJTEAY-NSHDSACASA-N 1 0 384.489 2.927 20 0 GFADRO C[C@H]([NH2+]CC1(C(N)=O)CCCC1)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000903097706 663773531 /nfs/dbraw/zinc/77/35/31/663773531.db2.gz IPEREUSPHXJNHD-NSHDSACASA-N 1 0 378.416 2.676 20 0 GFADRO Brc1ccc(CN2CCC([NH2+][C@@H]3CCO[C@@]34CCOC4)CC2)cc1 ZINC000903112522 663774179 /nfs/dbraw/zinc/77/41/79/663774179.db2.gz HCXKYEWCOXKSLL-RTBURBONSA-N 1 0 395.341 2.951 20 0 GFADRO C[C@@H]([NH2+]C1CCC(C(N)=O)CC1)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000903118942 663774599 /nfs/dbraw/zinc/77/45/99/663774599.db2.gz IYGQCUPVNMJITN-XSRFYTQQSA-N 1 0 378.416 2.675 20 0 GFADRO CCO[C@@H]1COCC[C@@H]1[NH2+][C@H](C)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000903152694 663776114 /nfs/dbraw/zinc/77/61/14/663776114.db2.gz PMNYSVFUNNOQMY-BYCMXARLSA-N 1 0 381.416 2.825 20 0 GFADRO C[C@H](NCc1cn(C)nc1Br)c1ccc(OCC[NH+](C)C)cc1 ZINC000903188955 663777630 /nfs/dbraw/zinc/77/76/30/663777630.db2.gz KYZAAFGOZQRPPT-ZDUSSCGKSA-N 1 0 381.318 2.974 20 0 GFADRO CC[C@H]([NH2+]CCS(=O)(=O)N=S(C)(C)=O)c1cccc(Br)c1 ZINC000903230354 663779672 /nfs/dbraw/zinc/77/96/72/663779672.db2.gz ZZRIABNDAFSYEW-ZDUSSCGKSA-N 1 0 397.360 2.547 20 0 GFADRO C[C@@H]([NH2+]CC1(C2(O)CCC2)CC1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000903258252 663780801 /nfs/dbraw/zinc/78/08/01/663780801.db2.gz UANJAHHVWYYTCJ-SNVBAGLBSA-N 1 0 393.336 2.987 20 0 GFADRO COCCC[C@H]([NH2+]CCCc1nnnn1C)c1ccc(Br)cc1 ZINC000903348618 663782402 /nfs/dbraw/zinc/78/24/02/663782402.db2.gz HFEXCODQZJJMFK-HNNXBMFYSA-N 1 0 382.306 2.663 20 0 GFADRO CO[C@]1(C[NH2+][C@@H](c2ccc(Br)s2)C2CC2)CCS(=O)(=O)C1 ZINC000903362089 663782533 /nfs/dbraw/zinc/78/25/33/663782533.db2.gz CPXTZGALENDKGN-KGLIPLIRSA-N 1 0 394.356 2.755 20 0 GFADRO CC[C@H]([NH2+]C[C@@]1(OC)CCS(=O)(=O)C1)c1ccc(OC(F)(F)F)cc1 ZINC000903362964 663782548 /nfs/dbraw/zinc/78/25/48/663782548.db2.gz KQGAGVWEYMXZMQ-GJZGRUSLSA-N 1 0 381.416 2.830 20 0 GFADRO CO[C@]1(C[NH2+][C@@H](C)c2ccc(Br)cc2C)CCS(=O)(=O)C1 ZINC000903363429 663782662 /nfs/dbraw/zinc/78/26/62/663782662.db2.gz OJOFFUZCZPGDCN-WFASDCNBSA-N 1 0 376.316 2.612 20 0 GFADRO CO[C@@]1(C[NH2+][C@@H]2CCCc3cc(Br)ccc32)CCS(=O)(=O)C1 ZINC000903363603 663782731 /nfs/dbraw/zinc/78/27/31/663782731.db2.gz PGVSBQZYYIWVNT-HZPDHXFCSA-N 1 0 388.327 2.620 20 0 GFADRO CO[C@@]1(C[NH2+][C@@H]2CCCc3c4cccc(Cl)c4[nH]c32)CCS(=O)(=O)C1 ZINC000903363891 663782879 /nfs/dbraw/zinc/78/28/79/663782879.db2.gz SJBOAHUGLYEMND-CRAIPNDOSA-N 1 0 382.913 2.992 20 0 GFADRO C[C@@H]([NH2+]CC1(O)CCC2(CC1)OCCO2)c1ncc(Br)s1 ZINC000903374976 663783389 /nfs/dbraw/zinc/78/33/89/663783389.db2.gz PNJZJRGOLSBEGX-SNVBAGLBSA-N 1 0 377.304 2.604 20 0 GFADRO O=c1cc(N2CC[C@H]([NH2+][C@@H]3CCc4c3c(Br)ccc4F)C2)nc[nH]1 ZINC000903394455 663783599 /nfs/dbraw/zinc/78/35/99/663783599.db2.gz CXHWOGQYIZBZDY-IINYFYTJSA-N 1 0 393.260 2.940 20 0 GFADRO Cc1cc(Br)ccc1C(=O)N1CCC([NH2+][C@@H]2COC[C@@H]2C)CC1 ZINC000903396502 663783788 /nfs/dbraw/zinc/78/37/88/663783788.db2.gz RFJXMPJUSRVJPE-SUMWQHHRSA-N 1 0 381.314 2.987 20 0 GFADRO CCc1ccc([C@H](C)[NH2+][C@H]2CCS(=O)(=O)C3(CC(C(=O)OC)C3)C2)s1 ZINC000903452048 663784941 /nfs/dbraw/zinc/78/49/41/663784941.db2.gz JMSICMCCDWVRBJ-FMHYQEOESA-N 1 0 385.551 2.860 20 0 GFADRO C[C@@H]([NH3+])C1CCN(S(=O)(=O)c2c[nH]c3cc(Br)ccc32)CC1 ZINC000903486727 663785650 /nfs/dbraw/zinc/78/56/50/663785650.db2.gz TZGBYVGDNBFJDR-SNVBAGLBSA-N 1 0 386.315 2.678 20 0 GFADRO O=S(=O)(c1c[nH]c2ncc(Cl)cc12)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000903507720 663785955 /nfs/dbraw/zinc/78/59/55/663785955.db2.gz IYAOWKZBOOGUEC-ZDUSSCGKSA-N 1 0 382.917 2.617 20 0 GFADRO COc1cc(Cl)c(C)cc1NC(=O)CN1CC[C@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903535311 663787617 /nfs/dbraw/zinc/78/76/17/663787617.db2.gz XSZWYVHWUIUPCI-CMPLNLGQSA-N 1 0 379.810 2.807 20 0 GFADRO COc1ccc(S(=O)(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)c(Cl)c1Cl ZINC000903570452 663789077 /nfs/dbraw/zinc/78/90/77/663789077.db2.gz JJBUQZTUJHJYBM-RNFRBKRXSA-N 1 0 393.214 2.512 20 0 GFADRO O=S(=O)(N[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc(Cl)s1 ZINC000903574288 663789641 /nfs/dbraw/zinc/78/96/41/663789641.db2.gz PGYCXYHNLVBLFH-LRDDRELGSA-N 1 0 384.910 2.936 20 0 GFADRO Cc1nc2ccc(S(=O)(=O)N3CC[C@H](C(F)(F)F)[C@@H]([NH3+])C3)cc2s1 ZINC000903579297 663790065 /nfs/dbraw/zinc/79/00/65/663790065.db2.gz NEEGTDUPRNARDD-QWRGUYRKSA-N 1 0 379.429 2.505 20 0 GFADRO [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(S(=O)(=O)c1ccc(Br)c(Cl)c1)C2 ZINC000903578941 663790092 /nfs/dbraw/zinc/79/00/92/663790092.db2.gz GZLZZRJZWYTCLO-GUBZILKMSA-N 1 0 379.707 2.603 20 0 GFADRO [NH3+]C[C@]12CC[C@@H]1CCN2S(=O)(=O)c1cccc(Br)c1Cl ZINC000903590712 663790779 /nfs/dbraw/zinc/79/07/79/663790779.db2.gz YUCFYJJDCMQNGY-NOZJJQNGSA-N 1 0 379.707 2.604 20 0 GFADRO Brc1ccc([C@@H]2CN(C[C@@H]3CC4(CO3)CC[NH2+]CC4)CCO2)cc1 ZINC000903727909 663805269 /nfs/dbraw/zinc/80/52/69/663805269.db2.gz ZDJZUQDTEMHOIL-ROUUACIJSA-N 1 0 395.341 2.981 20 0 GFADRO [NH3+]C[C@@]12CC[C@@H]1CCN2Cc1nc(Cc2cccc(Br)c2)no1 ZINC000903855550 663808975 /nfs/dbraw/zinc/80/89/75/663808975.db2.gz NNFUPFUBSWEFNS-DYVFJYSZSA-N 1 0 377.286 2.736 20 0 GFADRO Brc1cccc2c1CCN(Cc1cnnn1[C@H]1CCC[NH2+]C1)C2 ZINC000903889058 663810125 /nfs/dbraw/zinc/81/01/25/663810125.db2.gz NOAMRKMKKKRKRO-AWEZNQCLSA-N 1 0 376.302 2.523 20 0 GFADRO Cc1cc(Br)ccc1CN(C)Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903910354 663810942 /nfs/dbraw/zinc/81/09/42/663810942.db2.gz LREOYYXUTAPENM-MRXNPFEDSA-N 1 0 378.318 2.906 20 0 GFADRO Cc1c(C[C@H](C[NH3+])CN2CCOc3ccc(Br)cc32)cnn1C ZINC000903915077 663811486 /nfs/dbraw/zinc/81/14/86/663811486.db2.gz XYXDMTJGWQWTHK-CYBMUJFWSA-N 1 0 379.302 2.507 20 0 GFADRO COc1cc(Br)c(Cc2noc(C[C@H]3CC[N@H+](C)C3)n2)cc1OC ZINC000903971261 663814290 /nfs/dbraw/zinc/81/42/90/663814290.db2.gz NPSLVZQFZGAEQZ-LLVKDONJSA-N 1 0 396.285 2.934 20 0 GFADRO Cc1cc(I)ccc1NC(=O)N1CC[C@H]2CC[C@@]21C[NH3+] ZINC000904274003 663829673 /nfs/dbraw/zinc/82/96/73/663829673.db2.gz HTIJUBIFZOBPHM-IAQYHMDHSA-N 1 0 385.249 2.945 20 0 GFADRO O=C(Nc1ccc(I)cc1Cl)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000904287810 663830230 /nfs/dbraw/zinc/83/02/30/663830230.db2.gz ZCBCWMHVFXHIGP-XXILOJSOSA-N 1 0 391.640 2.959 20 0 GFADRO COC[C@H]1C[NH2+]CCN1C(=O)Nc1cc(Cl)cc(Br)c1OC ZINC000904333525 663830706 /nfs/dbraw/zinc/83/07/06/663830706.db2.gz BFISTSQAKWOCGO-SNVBAGLBSA-N 1 0 392.681 2.563 20 0 GFADRO Nc1ccc(C[NH+]2CCC(C(=O)Nc3ccccc3Br)CC2)nn1 ZINC000904337506 663830767 /nfs/dbraw/zinc/83/07/67/663830767.db2.gz BBBDWLFRTYENAM-UHFFFAOYSA-N 1 0 390.285 2.672 20 0 GFADRO [NH3+]C[C@]12CC[C@@H]1CCN2C(=O)Nc1ccc(F)cc1I ZINC000904365010 663831836 /nfs/dbraw/zinc/83/18/36/663831836.db2.gz VGNVYAVYIUQSIG-YMTOWFKASA-N 1 0 389.212 2.775 20 0 GFADRO Cc1c(C[C@H](C[NH3+])CN2CCc3cc(Br)c(F)cc3C2)cnn1C ZINC000904429006 663833910 /nfs/dbraw/zinc/83/39/10/663833910.db2.gz UKVOVRFKOWTURF-CYBMUJFWSA-N 1 0 395.320 2.806 20 0 GFADRO [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)Nc1ccc3nccnc3c1Br)C2 ZINC000904472486 663835470 /nfs/dbraw/zinc/83/54/70/663835470.db2.gz JVABZXHEWALFPX-DCAQKATOSA-N 1 0 376.258 2.736 20 0 GFADRO CNC(=O)c1cccc(NC(=O)N2CCC[C@H](C)[C@@H]2CC[NH3+])c1Br ZINC000904486229 663836381 /nfs/dbraw/zinc/83/63/81/663836381.db2.gz YJUQDSXIIQQONP-FZMZJTMJSA-N 1 0 397.317 2.790 20 0 GFADRO Brc1cncc(-c2noc([C@@H]3CC[NH2+][C@@H]([C@@H]4CCCO4)C3)n2)c1 ZINC000904536572 663836923 /nfs/dbraw/zinc/83/69/23/663836923.db2.gz FKAFAWCUBRSCMF-HONMWMINSA-N 1 0 379.258 2.909 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CC[NH2+]C[C@H](O)CCC1(O)CCC1 ZINC000905081363 663851784 /nfs/dbraw/zinc/85/17/84/663851784.db2.gz PHGUJFAINZIXCP-OAHLLOKOSA-N 1 0 399.329 2.732 20 0 GFADRO CN(C)C(=O)[C@@H]1CCCN1CCC[NH2+]C[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC000905091020 663852251 /nfs/dbraw/zinc/85/22/51/663852251.db2.gz XDADFGCNXXWGGQ-DLBZAZTESA-N 1 0 388.339 2.559 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CC[NH2+]C[C@H](O)CCC1(O)CCC1 ZINC000905090829 663852258 /nfs/dbraw/zinc/85/22/58/663852258.db2.gz VAEGFHHFCSOGCA-OAHLLOKOSA-N 1 0 399.329 2.732 20 0 GFADRO O[C@H](CCC1(O)CCC1)C[NH2+]Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000905238353 663861589 /nfs/dbraw/zinc/86/15/89/663861589.db2.gz PRRJYBGFAJINFF-QGZVFWFLSA-N 1 0 394.313 2.781 20 0 GFADRO Cc1cc(C[NH2+]C[C@@H](O)CCC2(O)CCC2)ccc1I ZINC000905243492 663862215 /nfs/dbraw/zinc/86/22/15/663862215.db2.gz JKHCLEYWXJXTEC-AWEZNQCLSA-N 1 0 389.277 2.745 20 0 GFADRO Cn1ccnc1[C@H]1C[C@H]([NH2+]C[C@H](O)c2ccc(Br)cc2)CCO1 ZINC000905278588 663863571 /nfs/dbraw/zinc/86/35/71/663863571.db2.gz GENFXDXGHOGLCA-OWCLPIDISA-N 1 0 380.286 2.726 20 0 GFADRO CCC[NH+]1CCC(NC(=O)C(F)(F)c2ncccc2Br)CC1 ZINC000905318797 663865600 /nfs/dbraw/zinc/86/56/00/663865600.db2.gz DVGJVNYXLLQNPE-UHFFFAOYSA-N 1 0 376.245 2.927 20 0 GFADRO O=S(=O)(CC1CC[NH2+]CC1)N1CCC[C@H]1c1cccc(Br)c1 ZINC000905335200 663866189 /nfs/dbraw/zinc/86/61/89/663866189.db2.gz YCMJIRKRWQJTMN-INIZCTEOSA-N 1 0 387.343 2.915 20 0 GFADRO CC(C)(C)OC(=O)NC[C@@H](O)C[NH2+]C[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC000905349241 663866958 /nfs/dbraw/zinc/86/69/58/663866958.db2.gz HLBLDRHIIYSQSP-FZMZJTMJSA-N 1 0 379.284 2.502 20 0 GFADRO O=C(NCC[NH+]1CCCC1)c1c(Cl)ccc(I)c1F ZINC000905383476 663868570 /nfs/dbraw/zinc/86/85/70/663868570.db2.gz CZNGMPCBCNLPLO-UHFFFAOYSA-N 1 0 396.631 2.909 20 0 GFADRO C[C@](O)(C[C@@H](O)C[NH2+]Cc1ccn(-c2ccc(Br)cc2)n1)C1CC1 ZINC000905478822 663873202 /nfs/dbraw/zinc/87/32/02/663873202.db2.gz NVRGZIPCYNOUFP-MSOLQXFVSA-N 1 0 394.313 2.636 20 0 GFADRO O[C@H](C[NH2+]CC1(C2(O)CCOCC2)CC1)COc1cc(Cl)ccc1Cl ZINC000905554270 663878084 /nfs/dbraw/zinc/87/80/84/663878084.db2.gz WEPQPQQGBYGOQA-CQSZACIVSA-N 1 0 390.307 2.644 20 0 GFADRO CC(C)(C)OC(=O)NC[C@H]1C[C@H]([NH2+]C[C@](C)(O)C(F)(F)C(F)(F)F)C1 ZINC000905692122 663886612 /nfs/dbraw/zinc/88/66/12/663886612.db2.gz ZHFIOKLNVLOIQQ-KWBADKCTSA-N 1 0 376.366 2.828 20 0 GFADRO O[C@H](C[NH2+]CCOC1CCSCC1)COc1cccc(C(F)(F)F)c1 ZINC000905704903 663887775 /nfs/dbraw/zinc/88/77/75/663887775.db2.gz OXBKKYFQZKVBMT-CQSZACIVSA-N 1 0 379.444 2.947 20 0 GFADRO CCOCCCNC(=O)[C@@H](C)[NH2+][C@H]1CCOc2ccc(Br)cc21 ZINC000905852639 663896819 /nfs/dbraw/zinc/89/68/19/663896819.db2.gz LFAGQFZQFJPROR-DOMZBBRYSA-N 1 0 385.302 2.794 20 0 GFADRO C[C@@H](c1ccccc1Br)N(C)C(=O)C1(n2cccn2)CC[NH2+]CC1 ZINC000906219782 663932488 /nfs/dbraw/zinc/93/24/88/663932488.db2.gz SSSVCUIVWYLGSD-AWEZNQCLSA-N 1 0 391.313 2.944 20 0 GFADRO CC(=O)CCn1cc(CN[C@@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)nn1 ZINC000906321619 663937909 /nfs/dbraw/zinc/93/79/09/663937909.db2.gz WGGGWDMCFQGHEO-KRWDZBQOSA-N 1 0 384.311 2.957 20 0 GFADRO CC(C)([NH3+])c1ccc(NC(=O)C(=O)NCCSCCC(F)(F)F)cc1 ZINC000906680603 663964710 /nfs/dbraw/zinc/96/47/10/663964710.db2.gz NWPIVRHHDJCPCC-UHFFFAOYSA-N 1 0 377.432 2.621 20 0 GFADRO CCc1cc(C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)ccc1Br ZINC000906712565 663966370 /nfs/dbraw/zinc/96/63/70/663966370.db2.gz WAMLAZYWWPRCLX-KRWDZBQOSA-N 1 0 394.357 2.864 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2nscc2I)[C@H](C)C1 ZINC000906789062 663971174 /nfs/dbraw/zinc/97/11/74/663971174.db2.gz FLISQJAZPIOADM-MWLCHTKSSA-N 1 0 393.294 2.550 20 0 GFADRO O=S(=O)(NC[C@@H]1CC[N@@H+](C2CC2)C1)c1c[nH]c2cc(Br)ccc21 ZINC000906835445 663974982 /nfs/dbraw/zinc/97/49/82/663974982.db2.gz YSTKQIUMYWKPMX-NSHDSACASA-N 1 0 398.326 2.693 20 0 GFADRO C[NH+](C)[C@]1(CNC(=O)c2ccc(Cn3cc(Cl)cn3)s2)CCSC1 ZINC000906900921 663980385 /nfs/dbraw/zinc/98/03/85/663980385.db2.gz JZNOFZDISAMRSW-INIZCTEOSA-N 1 0 384.958 2.813 20 0 GFADRO O=S(=O)(c1c[nH]c2ncc(Cl)cc12)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000906996400 663990258 /nfs/dbraw/zinc/99/02/58/663990258.db2.gz QHPMLTNQOYWIJH-CYBMUJFWSA-N 1 0 382.917 2.713 20 0 GFADRO C[NH+]1CCC2(CCCN2C(=O)c2cc(Br)cn(C3CC3)c2=O)CC1 ZINC000907191210 664010611 /nfs/dbraw/zinc/01/06/11/664010611.db2.gz HMTVQPGSLTYWKK-UHFFFAOYSA-N 1 0 394.313 2.646 20 0 GFADRO O=S(=O)(c1cc2ccccc2s1)N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000907242812 664015756 /nfs/dbraw/zinc/01/57/56/664015756.db2.gz WQYJUQYJHJQPRT-UHFFFAOYSA-N 1 0 380.535 2.777 20 0 GFADRO CC1([NH+]2CCCC2)CCN(S(=O)(=O)c2c[nH]c3ncc(Cl)cc23)CC1 ZINC000907316262 664022410 /nfs/dbraw/zinc/02/24/10/664022410.db2.gz DIMYJQSAEYZNJT-UHFFFAOYSA-N 1 0 382.917 2.855 20 0 GFADRO C[N@@H+]1CCC[C@](O)(CC(=O)N2CC=C(c3cccc(Br)c3)CC2)C1 ZINC000907385523 664030432 /nfs/dbraw/zinc/03/04/32/664030432.db2.gz LMOSDLGHNQBPNF-IBGZPJMESA-N 1 0 393.325 2.912 20 0 GFADRO CC(C)[NH+]1CCN(CCC(=O)N2Cc3ccc(Br)cc3C2)CC1 ZINC000907398531 664031227 /nfs/dbraw/zinc/03/12/27/664031227.db2.gz VXTWWCKCBQCVEV-UHFFFAOYSA-N 1 0 380.330 2.707 20 0 GFADRO O=S(=O)(c1cscn1)N1CCC(c2ccccc2)([NH+]2CCCC2)CC1 ZINC000907498167 664041209 /nfs/dbraw/zinc/04/12/09/664041209.db2.gz YCRHIFAZYKUDBE-UHFFFAOYSA-N 1 0 377.535 2.919 20 0 GFADRO C[N@@H+]1CCC[C@@](O)(CC(=O)N[C@@H]2CSc3ccc(Br)cc32)C1 ZINC000907818797 664063600 /nfs/dbraw/zinc/06/36/00/664063600.db2.gz STERKLHYYDKIIQ-CZUORRHYSA-N 1 0 385.327 2.559 20 0 GFADRO CC[C@H]1C[N@H+](C)CCCN1C(=O)C(F)(F)c1ncccc1Br ZINC000907931652 664072306 /nfs/dbraw/zinc/07/23/06/664072306.db2.gz VFMLMGXVGAUYBP-NSHDSACASA-N 1 0 376.245 2.879 20 0 GFADRO O=C(NCCCS(=O)(=O)c1ccc(Cl)cc1)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC000908456537 664107967 /nfs/dbraw/zinc/10/79/67/664107967.db2.gz GQMBBMZNHBEIEJ-DOTOQJQBSA-N 1 0 384.929 2.637 20 0 GFADRO C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1cccn3ncc(Br)c13)C2 ZINC000908537458 664113268 /nfs/dbraw/zinc/11/32/68/664113268.db2.gz XQFBURHRVTXXTD-QGZVFWFLSA-N 1 0 377.286 2.655 20 0 GFADRO C[N@@H+]1CCN(C(=O)c2cc3ncc(Br)cn3n2)CC12CCCCC2 ZINC000908576751 664115112 /nfs/dbraw/zinc/11/51/12/664115112.db2.gz LYYKZISBNCUICL-UHFFFAOYSA-N 1 0 392.301 2.582 20 0 GFADRO C[N@@H+]1CCN(C(=O)c2cnn3cc(Br)cnc23)CC12CCCCC2 ZINC000908572607 664115146 /nfs/dbraw/zinc/11/51/46/664115146.db2.gz FQRIARSCCPTMNC-UHFFFAOYSA-N 1 0 392.301 2.582 20 0 GFADRO O=C(Nc1cccc(O)c1Br)C1CCC([NH+]2CCOCC2)CC1 ZINC000908716568 664123336 /nfs/dbraw/zinc/12/33/36/664123336.db2.gz GVKLEDUXSITPEY-UHFFFAOYSA-N 1 0 383.286 2.984 20 0 GFADRO Cc1cc(C[NH+](C)C)ccc1NC(=O)c1cn(C)nc1I ZINC000909596688 664164459 /nfs/dbraw/zinc/16/44/59/664164459.db2.gz ROXFFVWECQVORS-UHFFFAOYSA-N 1 0 398.248 2.647 20 0 GFADRO CC[N@@H+]1CCCN(C(=O)c2cc(=O)c3cc(Br)ccc3[nH]2)[C@H](C)C1 ZINC000910283191 664204408 /nfs/dbraw/zinc/20/44/08/664204408.db2.gz RVHPYHFIZDINLH-GFCCVEGCSA-N 1 0 392.297 2.847 20 0 GFADRO CCC[N@@H+]1CCC[C@H](C(=O)NCc2cc(Cl)cc(S(=O)(=O)CC)c2)C1 ZINC000910408926 664209892 /nfs/dbraw/zinc/20/98/92/664209892.db2.gz VMIAETINSVUWTR-HNNXBMFYSA-N 1 0 386.945 2.872 20 0 GFADRO O=C(NC1CCN(Cc2cccc(Br)c2)CC1)C12CC[NH+](CC1)C2 ZINC000910581910 664215442 /nfs/dbraw/zinc/21/54/42/664215442.db2.gz SSPYYCIMGCOOIA-UHFFFAOYSA-N 1 0 392.341 2.626 20 0 GFADRO CCc1cc(C(=O)N2CCOC3(CC[NH+](C)CC3)C2)ccc1Br ZINC000911594647 664249743 /nfs/dbraw/zinc/24/97/43/664249743.db2.gz HTRDSHHDHZTUJR-UHFFFAOYSA-N 1 0 381.314 2.948 20 0 GFADRO COc1ccc(Br)cc1-c1ncc(C(=O)N2CC[C@@H]([NH3+])C2)s1 ZINC000911652185 664251608 /nfs/dbraw/zinc/25/16/08/664251608.db2.gz MCVZJLKQXNZWTG-SNVBAGLBSA-N 1 0 382.283 2.754 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)c1cc(Br)cnc1Br ZINC000911685982 664253063 /nfs/dbraw/zinc/25/30/63/664253063.db2.gz XENQWYVGTHSYLI-LDYMZIIASA-N 1 0 391.107 2.949 20 0 GFADRO CC(C)[NH2+]CCCNC(=O)c1ccc(Cn2cc(Br)cn2)s1 ZINC000911763904 664255658 /nfs/dbraw/zinc/25/56/58/664255658.db2.gz OZPIPGOGSUPIMF-UHFFFAOYSA-N 1 0 385.331 2.873 20 0 GFADRO C[NH2+]C1CCN(C(=O)c2cc(C)n(-c3ccccc3Br)n2)CC1 ZINC000911785921 664256743 /nfs/dbraw/zinc/25/67/43/664256743.db2.gz ACPLUWSEGGLCDF-UHFFFAOYSA-N 1 0 377.286 2.767 20 0 GFADRO Cc1c(C(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)nnn1-c1ccccc1Br ZINC000911821411 664257175 /nfs/dbraw/zinc/25/71/75/664257175.db2.gz IOICOJOUMWECFC-DGCLKSJQSA-N 1 0 392.301 2.538 20 0 GFADRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C[C@@H]1c2cccc(Br)c2NC1=O ZINC000911871884 664260222 /nfs/dbraw/zinc/26/02/22/664260222.db2.gz WNCDYPFLPSMRNP-OCCSQVGLSA-N 1 0 382.302 2.707 20 0 GFADRO CCN(CC)S(=O)(=O)c1cc(NC(=O)C23CCC(CC2)[NH2+]3)ccc1Cl ZINC000911992914 664265326 /nfs/dbraw/zinc/26/53/26/664265326.db2.gz PYJMUCMAAGFGIY-UHFFFAOYSA-N 1 0 385.917 2.594 20 0 GFADRO Cc1sc(NC(=O)[C@@]2(C)C[C@@H](O)C[NH2+]2)nc1-c1ccc(Br)cc1 ZINC000912002068 664265597 /nfs/dbraw/zinc/26/55/97/664265597.db2.gz KENOSOAUEXPODI-MLGOLLRUSA-N 1 0 396.310 2.932 20 0 GFADRO C[C@@H](NC(=O)[C@@H]1CCCN(CC[NH3+])C1=O)c1cc(F)c(Cl)cc1Cl ZINC000912055800 664268650 /nfs/dbraw/zinc/26/86/50/664268650.db2.gz DXIXRGRMFZXBQZ-ZJUUUORDSA-N 1 0 376.259 2.507 20 0 GFADRO N[C@H](C(=O)N1CCc2sccc2C1)c1ccccc1I ZINC000912187278 664275053 /nfs/dbraw/zinc/27/50/53/664275053.db2.gz TYIOVYOEGWIVAD-AWEZNQCLSA-N 1 0 398.269 2.937 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)c2cccn3ncc(Br)c23)C1 ZINC000912283664 664279486 /nfs/dbraw/zinc/27/94/86/664279486.db2.gz KKIINUGONWLOQG-GFCCVEGCSA-N 1 0 379.302 2.947 20 0 GFADRO CC(C)C[NH2+]C1(CO)CCN(C(=O)[C@@H](O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000912586075 664293925 /nfs/dbraw/zinc/29/39/25/664293925.db2.gz KVXFALGJIGTSJB-INIZCTEOSA-N 1 0 389.323 2.626 20 0 GFADRO COc1cc(C(=O)N2CCC(CO)([NH2+]CC(C)C)CC2)ccc1Br ZINC000912584029 664293931 /nfs/dbraw/zinc/29/39/31/664293931.db2.gz JTOLXZRSVLGRHI-UHFFFAOYSA-N 1 0 399.329 2.670 20 0 GFADRO O=C(c1c(O)cnc2c(Br)cccc21)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000912906519 664309445 /nfs/dbraw/zinc/30/94/45/664309445.db2.gz GIGBUMFKHVEYEM-LLVKDONJSA-N 1 0 376.254 2.623 20 0 GFADRO O=C(c1[nH]nc(-c2ccccc2)c1Br)N1CC[C@H]([NH+]2CCC2)C1 ZINC000912920586 664310146 /nfs/dbraw/zinc/31/01/46/664310146.db2.gz ZNHZNQNSYSIWAP-ZDUSSCGKSA-N 1 0 375.270 2.759 20 0 GFADRO CC(C)CNC(=O)C1CC[NH+](C[C@@H](O)c2cccc(Br)c2)CC1 ZINC000913145362 664326032 /nfs/dbraw/zinc/32/60/32/664326032.db2.gz WAVXQRZAEHZUHB-QGZVFWFLSA-N 1 0 383.330 2.967 20 0 GFADRO C[NH+]1C[C@@]2(C)CN(C(=O)c3ccc4cncc(Br)c4n3)C[C@]2(C)C1 ZINC000913269510 664330395 /nfs/dbraw/zinc/33/03/95/664330395.db2.gz CTPMGHJTPGSHBS-ROUUACIJSA-N 1 0 389.297 2.806 20 0 GFADRO C[NH+]1C[C@@]2(C)CN(C(=O)Cc3noc4ccc(Br)cc43)C[C@]2(C)C1 ZINC000913273386 664330675 /nfs/dbraw/zinc/33/06/75/664330675.db2.gz FDTPXBMOZZBYKK-ROUUACIJSA-N 1 0 392.297 2.933 20 0 GFADRO C[N@@H+]1C[C@@]2(C)CN(C(=O)c3cn4ccc(Br)cc4n3)C[C@@]2(C)C1 ZINC000913278402 664330961 /nfs/dbraw/zinc/33/09/61/664330961.db2.gz GCWDQMZSQLVXHA-CALCHBBNSA-N 1 0 377.286 2.511 20 0 GFADRO C[NH+](C)CC1(O)CCN(C(=O)c2ccc(Cl)c(Br)c2)CC1 ZINC000913679000 664349300 /nfs/dbraw/zinc/34/93/00/664349300.db2.gz HWWMRSWTJZPEOL-UHFFFAOYSA-N 1 0 375.694 2.631 20 0 GFADRO C[NH+](C)CC1(O)CCN(C(=O)C(C)(C)Cc2ccc(Br)cc2)CC1 ZINC000913682864 664349614 /nfs/dbraw/zinc/34/96/14/664349614.db2.gz AWNOGPRFYPOHEI-UHFFFAOYSA-N 1 0 397.357 2.933 20 0 GFADRO C[NH+](C)CC1(O)CCN(C(=O)c2oc3ccccc3c2Br)CC1 ZINC000913683798 664349906 /nfs/dbraw/zinc/34/99/06/664349906.db2.gz SVRBNBLRGJCMFY-UHFFFAOYSA-N 1 0 381.270 2.724 20 0 GFADRO CC[NH+]1CCC(N(C)S(=O)(=O)Cc2ccc(F)cc2Br)CC1 ZINC000913886004 664363685 /nfs/dbraw/zinc/36/36/85/664363685.db2.gz PBECGXPVYRNCMG-UHFFFAOYSA-N 1 0 393.322 2.834 20 0 GFADRO CC[NH+]1CCC(NC(=O)N2CCCC[C@@H]2c2ncc(Br)cn2)CC1 ZINC000913894245 664364340 /nfs/dbraw/zinc/36/43/40/664364340.db2.gz NKVPJFXJPYBAOQ-OAHLLOKOSA-N 1 0 396.333 2.960 20 0 GFADRO O=S(=O)(C[C@@]12CC[N@H+](C1)CCC2)N1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000913950679 664368298 /nfs/dbraw/zinc/36/82/98/664368298.db2.gz CWHKXFNEFQOMFA-MSOLQXFVSA-N 1 0 384.929 2.529 20 0 GFADRO COc1cc(CN(C)S(=O)(=O)C[C@@]23CC[N@H+](C2)CCC3)ccc1SC ZINC000914014534 664371645 /nfs/dbraw/zinc/37/16/45/664371645.db2.gz BLSCTULAYVQRCR-SFHVURJKSA-N 1 0 384.567 2.665 20 0 GFADRO COC1CC[NH+](C2(CNS(=O)(=O)CCCC(C)(F)F)CCCC2)CC1 ZINC000914078169 664374922 /nfs/dbraw/zinc/37/49/22/664374922.db2.gz JEMUSABCCHDHAY-UHFFFAOYSA-N 1 0 382.517 2.765 20 0 GFADRO C[C@H](C[NH+]1CCCCC1)NC(=O)N1CCC[C@H]1c1ncc(Br)cn1 ZINC000914080444 664375210 /nfs/dbraw/zinc/37/52/10/664375210.db2.gz DGHKHLNCYGBLOC-HIFRSBDPSA-N 1 0 396.333 2.960 20 0 GFADRO O=S(=O)(c1occc1Br)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000914273901 664393624 /nfs/dbraw/zinc/39/36/24/664393624.db2.gz UWTLMBQQSKQKFT-SMDDNHRTSA-N 1 0 389.315 2.680 20 0 GFADRO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCc2cnc(Br)cn2)C1 ZINC000914336158 664400596 /nfs/dbraw/zinc/40/05/96/664400596.db2.gz YFUJTRIINVRNCR-LBPRGKRZSA-N 1 0 384.322 2.549 20 0 GFADRO COc1cccc(CN(CC[NH+](C)C)S(=O)(=O)CCCC(C)(F)F)c1 ZINC000914428143 664409602 /nfs/dbraw/zinc/40/96/02/664409602.db2.gz HBJFKWCPWBORTA-UHFFFAOYSA-N 1 0 378.485 2.824 20 0 GFADRO O=S(=O)(Cc1ccsc1Br)NCC1CC[NH+](C2CC2)CC1 ZINC000915041972 664419549 /nfs/dbraw/zinc/41/95/49/664419549.db2.gz SVFANPDHUBAJNN-UHFFFAOYSA-N 1 0 393.372 2.804 20 0 GFADRO CC(C)[C@@H](C)[N@H+](C)CN1C(=O)C(=O)N(c2ccc(Br)cc2)C1=O ZINC000915208402 664423754 /nfs/dbraw/zinc/42/37/54/664423754.db2.gz KPUPGQZIQPDHME-LLVKDONJSA-N 1 0 382.258 2.678 20 0 GFADRO O=C(/C=C\c1ccc(I)o1)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000915634150 664436207 /nfs/dbraw/zinc/43/62/07/664436207.db2.gz RYXFCSQVXKQLGH-WFMXKNRHSA-N 1 0 386.233 2.640 20 0 GFADRO CC(C)C[C@@H](C[NH+](C)C)NC(=O)/C=C/c1ccc(I)o1 ZINC000915704750 664438219 /nfs/dbraw/zinc/43/82/19/664438219.db2.gz ZWWFUXHPJSKEOO-WMADIVHISA-N 1 0 390.265 2.990 20 0 GFADRO Cc1ccc(/C=C/C(=O)NCCCC[NH+]2CCOCC2)c(Br)c1 ZINC000915702901 664438261 /nfs/dbraw/zinc/43/82/61/664438261.db2.gz FERYQXYMDRQZIA-VOTSOKGWSA-N 1 0 381.314 2.999 20 0 GFADRO CC[C@H](C)[N@H+](C)CCNC(=O)NC1(c2ncc(Br)cn2)CCC1 ZINC000916361891 664458266 /nfs/dbraw/zinc/45/82/66/664458266.db2.gz QILHEIRXOYGBJF-LBPRGKRZSA-N 1 0 384.322 2.648 20 0 GFADRO O=C(Nc1cc2c(cc1Br)OCCO2)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000916638659 664467368 /nfs/dbraw/zinc/46/73/68/664467368.db2.gz JQBODEZGIOFWHC-GXTWGEPZSA-N 1 0 396.285 2.969 20 0 GFADRO CC[NH+](CC)CCOC(=O)[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000917528471 664485722 /nfs/dbraw/zinc/48/57/22/664485722.db2.gz KKQHLEOYGDAFNJ-OAHLLOKOSA-N 1 0 383.286 2.687 20 0 GFADRO C[NH+](C)C[C@H]1COC2(CCCC2)CN1S(=O)(=O)c1cscc1C(F)F ZINC000917746928 664489734 /nfs/dbraw/zinc/48/97/34/664489734.db2.gz RBJDUWXKIFLQBF-LBPRGKRZSA-N 1 0 394.509 2.950 20 0 GFADRO C[N@@H+](Cc1cccc(C(N)=O)c1)C[C@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000918023489 664494385 /nfs/dbraw/zinc/49/43/85/664494385.db2.gz SYNKLIKXNSZNKO-AWEZNQCLSA-N 1 0 383.275 2.964 20 0 GFADRO O=C(C[NH2+]Cc1c[nH]nc1-c1cccnc1)Nc1ccc(Br)cc1 ZINC000918196893 664496900 /nfs/dbraw/zinc/49/69/00/664496900.db2.gz HGZZKLJIIOFPIC-UHFFFAOYSA-N 1 0 386.253 2.963 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)N1CCC[C@@H]1c1cncc(Br)c1 ZINC000918891687 664506128 /nfs/dbraw/zinc/50/61/28/664506128.db2.gz ATQGJXYKIKZXKP-GDBMZVCRSA-N 1 0 379.302 2.927 20 0 GFADRO Cc1cc(Br)sc1S(=O)(=O)N1CCc2[nH+]ccc(N)c2C1 ZINC000918907376 664506386 /nfs/dbraw/zinc/50/63/86/664506386.db2.gz XZFLTSLPXHVSDE-UHFFFAOYSA-N 1 0 388.312 2.543 20 0 GFADRO O=S(=O)(C[C@@]12CC[N@H+](C1)CCC2)N1CCCSC[C@@H]1c1ccccc1 ZINC000919764018 664517753 /nfs/dbraw/zinc/51/77/53/664517753.db2.gz JZHIDGPGJRSGIV-MOPGFXCFSA-N 1 0 380.579 2.982 20 0 GFADRO CO[C@]1(CNC(=O)NC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)CCSC1 ZINC000920283314 664524259 /nfs/dbraw/zinc/52/42/59/664524259.db2.gz ZBQGZWMWORMCKD-HFTRVMKXSA-N 1 0 383.583 2.952 20 0 GFADRO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NS(=O)(=O)c3sc(C)cc3C)C2)[C@@H]1C(C)C ZINC000920303220 664524469 /nfs/dbraw/zinc/52/44/69/664524469.db2.gz MLYBOFJKHADMAI-CBZIJGRNSA-N 1 0 386.583 2.513 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)N2CCCC[C@@H]2c2ncc(Br)cn2)CC[N@@H+]1C ZINC000920404460 664525919 /nfs/dbraw/zinc/52/59/19/664525919.db2.gz OQINEWUWAKEMPI-BPLDGKMQSA-N 1 0 396.333 2.958 20 0 GFADRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2ccc(Cl)c(S(C)(=O)=O)c2)C1 ZINC000920744505 664530230 /nfs/dbraw/zinc/53/02/30/664530230.db2.gz NQIHXVGKDAECRB-CYBMUJFWSA-N 1 0 386.945 2.984 20 0 GFADRO C[NH+](C)CC[C@H](NS(=O)(=O)Cc1cc(Cl)ccc1F)c1cccnc1 ZINC000921481581 664550157 /nfs/dbraw/zinc/55/01/57/664550157.db2.gz OJWBJLIZKZTYKD-KRWDZBQOSA-N 1 0 385.892 2.987 20 0 GFADRO Cc1nc(C[NH2+]C[C@@H](C(C)C)N2CCN(C)CC2)sc1Br ZINC000921522485 664552064 /nfs/dbraw/zinc/55/20/64/664552064.db2.gz RDZHIZDHBTUJHR-ZDUSSCGKSA-N 1 0 375.380 2.576 20 0 GFADRO O=C(CCc1ccccc1)N1CCC([NH2+]Cc2nc(Br)c[nH]2)CC1 ZINC000921543424 664552908 /nfs/dbraw/zinc/55/29/08/664552908.db2.gz USQCONLCGCKARH-UHFFFAOYSA-N 1 0 391.313 2.886 20 0 GFADRO C[C@@H](NCc1nc(Br)c[nH]1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000921690254 664560721 /nfs/dbraw/zinc/56/07/21/664560721.db2.gz OQYVEZRSYWXKOK-GFCCVEGCSA-N 1 0 396.308 2.914 20 0 GFADRO O[C@@](C[NH2+]Cc1cnc2n1CCOC2)(c1ccc(Cl)cc1)C(F)(F)F ZINC000921821980 664570746 /nfs/dbraw/zinc/57/07/46/664570746.db2.gz NCYWPEQKMUXOBD-HNNXBMFYSA-N 1 0 375.778 2.606 20 0 GFADRO C[C@H](NC(=O)NCc1cn(C)nc1Br)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000921877222 664574521 /nfs/dbraw/zinc/57/45/21/664574521.db2.gz CSSQFQOQLIAMPH-QWHCGFSZSA-N 1 0 398.349 2.635 20 0 GFADRO Cc1nc(C[NH2+]C[C@@H]2CCC3(CCOCC3)[C@H]2O)sc1Br ZINC000922111437 664586430 /nfs/dbraw/zinc/58/64/30/664586430.db2.gz YDXAOHXAMCRLIE-AAEUAGOBSA-N 1 0 375.332 2.871 20 0 GFADRO Cc1cc(C[NH2+][C@@H]2CCc3c(nnn3C)C2)c(C)cc1I ZINC000922224493 664590619 /nfs/dbraw/zinc/59/06/19/664590619.db2.gz HXTKSWWABWJMNV-CYBMUJFWSA-N 1 0 396.276 2.684 20 0 GFADRO O=C(NCc1cnc(Br)cn1)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000922329283 664594866 /nfs/dbraw/zinc/59/48/66/664594866.db2.gz NBSLFBFPMQIQJO-HNNXBMFYSA-N 1 0 396.333 2.835 20 0 GFADRO Cc1cc(Br)cn2c(C[NH2+]CC3(C4(O)CCOCC4)CC3)cnc12 ZINC000922595597 664607832 /nfs/dbraw/zinc/60/78/32/664607832.db2.gz SBPRYCAPNQDXMO-UHFFFAOYSA-N 1 0 394.313 2.817 20 0 GFADRO COc1cc(C[NH2+]CC2(C3(O)CCOCC3)CC2)cc(Br)c1O ZINC000922598379 664607987 /nfs/dbraw/zinc/60/79/87/664607987.db2.gz DZTZMYBRLADYTD-UHFFFAOYSA-N 1 0 386.286 2.575 20 0 GFADRO CCO[C@H](CNCc1cc(OC)c(OC)cc1Br)C[NH+](C)C ZINC000922761199 664613816 /nfs/dbraw/zinc/61/38/16/664613816.db2.gz PHNPAAGGZOXYLF-CYBMUJFWSA-N 1 0 375.307 2.523 20 0 GFADRO O=C1C[C@@H](CC[NH2+]C2CCN(Cc3ccccc3Br)CC2)CN1 ZINC000922781838 664614239 /nfs/dbraw/zinc/61/42/39/664614239.db2.gz DYVOQKVWNSEION-CQSZACIVSA-N 1 0 380.330 2.529 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+]CC[C@H]1CNC(=O)C1 ZINC000922782600 664614358 /nfs/dbraw/zinc/61/43/58/664614358.db2.gz ZSPVGBHHNYZETL-CYBMUJFWSA-N 1 0 377.286 2.559 20 0 GFADRO COCCOc1cccc(C[NH2+]CC2(n3cc(Br)cn3)CC2)c1 ZINC000922802748 664614858 /nfs/dbraw/zinc/61/48/58/664614858.db2.gz PLRFIHZSWPSNEP-UHFFFAOYSA-N 1 0 380.286 2.950 20 0 GFADRO CC(C)COC(=O)N1CCC([NH2+]CC2(n3cc(Br)cn3)CC2)CC1 ZINC000922802685 664614883 /nfs/dbraw/zinc/61/48/83/664614883.db2.gz OBUNLRFBVOUBQW-UHFFFAOYSA-N 1 0 399.333 2.981 20 0 GFADRO CCn1cc([C@@H]2OCC[C@H]2C[NH2+]CC2(n3cc(Br)cn3)CC2)cn1 ZINC000922802562 664614885 /nfs/dbraw/zinc/61/48/85/664614885.db2.gz QLIGNUIAKCSUFJ-XJKSGUPXSA-N 1 0 394.317 2.719 20 0 GFADRO Cc1cc(CNC(=O)NC[C@H]2CC[N@@H+]2C2CCOCC2)ccc1Br ZINC000922827058 664615907 /nfs/dbraw/zinc/61/59/07/664615907.db2.gz MYCOSMUVSDTGAI-MRXNPFEDSA-N 1 0 396.329 2.810 20 0 GFADRO NS(=O)(=O)c1ccc(C(=O)Nc2ccc(C[NH+]3CCCCC3)cc2)s1 ZINC000922837206 664616107 /nfs/dbraw/zinc/61/61/07/664616107.db2.gz FYMOFPPOWKBVSY-UHFFFAOYSA-N 1 0 379.507 2.634 20 0 GFADRO CCOc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)S3(=O)=O)ccc1OC(F)F ZINC000922851462 664616460 /nfs/dbraw/zinc/61/64/60/664616460.db2.gz CPWVBAIKHLSXSQ-AGUYFDCRSA-N 1 0 375.437 2.885 20 0 GFADRO O=C(c1ccc(Br)c(F)c1)N1CCC([NH2+]C2CCOCC2)CC1 ZINC000922869090 664616984 /nfs/dbraw/zinc/61/69/84/664616984.db2.gz NWMSVXLYQLEFJQ-UHFFFAOYSA-N 1 0 385.277 2.961 20 0 GFADRO CC1(C)O[C@@H]2C[C@@H]([NH2+]Cc3cc(Br)c4c(c3)OCCO4)C[C@@H]2O1 ZINC000922875824 664617282 /nfs/dbraw/zinc/61/72/82/664617282.db2.gz PADWIYQGORXGCY-DEZZGGKRSA-N 1 0 384.270 2.992 20 0 GFADRO O[C@H]1C[C@H]([NH2+]CC2=Cc3cc(Br)ccc3OC2)C12CCOCC2 ZINC000923020163 664621333 /nfs/dbraw/zinc/62/13/33/664621333.db2.gz LTXRHGSLBRWMKZ-IRXDYDNUSA-N 1 0 380.282 2.745 20 0 GFADRO O[C@@H](COc1cc(Cl)ccc1Cl)CN1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000923349868 664628771 /nfs/dbraw/zinc/62/87/71/664628771.db2.gz XPVUIARZXUBRBV-NVXWUHKLSA-N 1 0 382.291 2.775 20 0 GFADRO [NH3+]C[C@@H]1CN(C[C@H](O)c2cccc(Br)c2)CC[C@@H]1C(F)(F)F ZINC000923400753 664629883 /nfs/dbraw/zinc/62/98/83/664629883.db2.gz DRJTXBRDGIUTIU-XBFCOCLRSA-N 1 0 381.236 2.942 20 0 GFADRO Cn1ncc(Br)c1CN1C[C@H](C[C@@H]2COCC[NH2+]2)c2ccccc21 ZINC000923539438 664633354 /nfs/dbraw/zinc/63/33/54/664633354.db2.gz FGCFLDBSCGKZLB-UONOGXRCSA-N 1 0 391.313 2.665 20 0 GFADRO CCCN(CC[NH+]1CCCCC1)C(=O)NCc1cnc(Br)cn1 ZINC000923545518 664633594 /nfs/dbraw/zinc/63/35/94/664633594.db2.gz SGOBYFXQMQLIOH-UHFFFAOYSA-N 1 0 384.322 2.647 20 0 GFADRO CC1([NH+]2CCCC2)CCC(NC(=O)NCc2cnc(Br)cn2)CC1 ZINC000923552796 664634025 /nfs/dbraw/zinc/63/40/25/664634025.db2.gz CDDUAQXSDFPMFG-UHFFFAOYSA-N 1 0 396.333 2.835 20 0 GFADRO [NH3+][C@@H]1CCO[C@@H](C2CCN(S(=O)(=O)c3cscc3C(F)F)CC2)C1 ZINC000923645323 664635013 /nfs/dbraw/zinc/63/50/13/664635013.db2.gz FWVSUYODJZFEOW-DGCLKSJQSA-N 1 0 380.482 2.593 20 0 GFADRO O=S(=O)(c1oc2ccccc2c1Br)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000923692302 664636099 /nfs/dbraw/zinc/63/60/99/664636099.db2.gz SCVYHNMQBQWQMP-CMPLNLGQSA-N 1 0 385.283 2.568 20 0 GFADRO C[C@@H]1CN(S(=O)(=O)c2cc(Cl)ccc2Br)CC[C@H]1C[NH3+] ZINC000923704370 664636581 /nfs/dbraw/zinc/63/65/81/664636581.db2.gz RZOSRMIZWMUMEV-ZJUUUORDSA-N 1 0 381.723 2.708 20 0 GFADRO [NH3+][C@@H]1CC[C@H](CNS(=O)(=O)Cc2ccc(Br)cc2Cl)C1 ZINC000923737847 664637249 /nfs/dbraw/zinc/63/72/49/664637249.db2.gz CQVIISDIAATWJX-JOYOIKCWSA-N 1 0 381.723 2.649 20 0 GFADRO Brc1cccn2ncc(-c3nc([C@@H]4C[N@@H+]5CCC[C@@H]5CO4)no3)c12 ZINC000923961728 664641914 /nfs/dbraw/zinc/64/19/14/664641914.db2.gz XRYBUIXNTOMKBH-MFKMUULPSA-N 1 0 390.241 2.683 20 0 GFADRO C[NH+](C)CC1(c2nc(-c3csc(I)c3)no2)CC1 ZINC000923976396 664642948 /nfs/dbraw/zinc/64/29/48/664642948.db2.gz NBDPIQKFAYWSNV-UHFFFAOYSA-N 1 0 375.235 2.996 20 0 GFADRO C[N@@H+]1CCCC[C@@H]1CCOC(=O)CS(=O)(=O)Cc1ccc(Cl)s1 ZINC000924257604 664652300 /nfs/dbraw/zinc/65/23/00/664652300.db2.gz CISZAXSNWZGWRT-GFCCVEGCSA-N 1 0 379.931 2.734 20 0 GFADRO CCC1([NH+]2CCC2)CCN(C(=O)[C@H](O)c2cccc(Br)c2)CC1 ZINC000924374201 664654270 /nfs/dbraw/zinc/65/42/70/664654270.db2.gz RKQKWECNLUKFQE-MRXNPFEDSA-N 1 0 381.314 2.959 20 0 GFADRO O=C(NCC[NH2+][C@@H](C1CCC1)[C@H]1CCOC1)c1ccc(Br)cc1 ZINC000924732079 664660362 /nfs/dbraw/zinc/66/03/62/664660362.db2.gz WHGONWUKYNVSQE-RDJZCZTQSA-N 1 0 381.314 2.974 20 0 GFADRO C[C@H](C[C@@H]1CCC(=O)N1)[NH2+]C[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000924801828 664662183 /nfs/dbraw/zinc/66/21/83/664662183.db2.gz FYHLZURPLXSGGY-FMKPAKJESA-N 1 0 380.330 2.922 20 0 GFADRO C[C@H](c1nc(C(F)(F)F)cs1)N1C(=O)N[C@@H](C[NH+]2CCCCC2)C1=O ZINC000924851811 664662735 /nfs/dbraw/zinc/66/27/35/664662735.db2.gz GOHURPCBBCZOMI-ZJUUUORDSA-N 1 0 376.404 2.629 20 0 GFADRO CS(=O)(=O)CCC[NH2+][C@@H](c1ccc(Br)cc1)c1cccnc1 ZINC000924952148 664664446 /nfs/dbraw/zinc/66/44/46/664664446.db2.gz UQIOPSJFHIEGSN-INIZCTEOSA-N 1 0 383.311 2.958 20 0 GFADRO C[N@@H+]1C[C@H](O)C[C@@H]1CNC(=O)C(C)(C)Sc1ccc(Br)cc1 ZINC000924984142 664664836 /nfs/dbraw/zinc/66/48/36/664664836.db2.gz ODSXOFLXPMMSHS-CHWSQXEVSA-N 1 0 387.343 2.501 20 0 GFADRO C[C@@H]([NH2+]CCC(=O)N(C)Cc1ccccc1Br)c1cn(C)cn1 ZINC000925029405 664665390 /nfs/dbraw/zinc/66/53/90/664665390.db2.gz RNAXUBVLMWRBNE-CYBMUJFWSA-N 1 0 379.302 2.882 20 0 GFADRO O=C(N[C@@H]1CCC[N@@H+]2CCSC[C@H]12)N1CC[C@@]2(CC(F)(F)C2(F)F)C1 ZINC000925169122 664667792 /nfs/dbraw/zinc/66/77/92/664667792.db2.gz IZEXLEGJIUUOFF-YRGRVCCFSA-N 1 0 381.439 2.642 20 0 GFADRO C[C@H]([NH2+]C1CCN(Cc2ccc(Br)cc2)CC1)c1cnn(C)n1 ZINC000925278695 664669648 /nfs/dbraw/zinc/66/96/48/664669648.db2.gz ZSVWFUOPFSRPCT-ZDUSSCGKSA-N 1 0 378.318 2.893 20 0 GFADRO COc1ccnc([C@H](C)[NH2+]CCNC(=O)c2cccc(Br)c2)c1 ZINC000925399153 664671927 /nfs/dbraw/zinc/67/19/27/664671927.db2.gz DNQWMYZTHFRMNY-LBPRGKRZSA-N 1 0 378.270 2.933 20 0 GFADRO C[C@H]([NH3+])[C@H](NC[C@H](O)COc1ccccc1Br)c1ccccc1 ZINC000925585033 664673423 /nfs/dbraw/zinc/67/34/23/664673423.db2.gz RKLGFUUEMVHVQD-YEWWUXTCSA-N 1 0 379.298 2.867 20 0 GFADRO Cc1ccc([C@H]([NH2+]C[C@]2(O)CCOC2)c2cncc(Br)c2)cc1 ZINC000925625385 664673695 /nfs/dbraw/zinc/67/36/95/664673695.db2.gz DJNGNGYSOXMZOE-ZWKOTPCHSA-N 1 0 377.282 2.983 20 0 GFADRO [NH3+][C@@H]1CN(C(=O)Nc2cc3c(cc2Cl)OCCO3)CC[C@@H]1C(F)(F)F ZINC000925930497 664677508 /nfs/dbraw/zinc/67/75/08/664677508.db2.gz UVSSGHWWXSYLRF-WCBMZHEXSA-N 1 0 379.766 2.855 20 0 GFADRO COc1ccc(Br)c(NC(=O)N[C@@H]2C[NH2+]CC3(CCOCC3)C2)c1 ZINC000926002536 664679052 /nfs/dbraw/zinc/67/90/52/664679052.db2.gz ZJZUYFMYLHCVLE-LBPRGKRZSA-N 1 0 398.301 2.738 20 0 GFADRO COC(=O)c1cc(Cl)cc(NC(=O)N2CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C2)c1 ZINC000926038431 664679643 /nfs/dbraw/zinc/67/96/43/664679643.db2.gz VZIKTWUPTNDMRK-NEPJUHHUSA-N 1 0 379.766 2.870 20 0 GFADRO C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)Nc1ccc(F)cc1I ZINC000926056458 664680119 /nfs/dbraw/zinc/68/01/19/664680119.db2.gz ZHGBIHBWMLIJJI-NXEZZACHSA-N 1 0 391.228 2.797 20 0 GFADRO CC1(C)CN(C(=O)Nc2cnc(Br)c(Br)c2)C[C@@H]1[NH3+] ZINC000926062223 664680429 /nfs/dbraw/zinc/68/04/29/664680429.db2.gz XNUVQKASFRMVOK-VIFPVBQESA-N 1 0 392.095 2.808 20 0 GFADRO C[C@@H]1CN(C(=O)Nc2cccc(F)c2I)CC[C@@H]1C[NH3+] ZINC000926080476 664681134 /nfs/dbraw/zinc/68/11/34/664681134.db2.gz XAMFFDYTOZCSKP-NXEZZACHSA-N 1 0 391.228 2.879 20 0 GFADRO Cc1ccc(Br)c(NC(=O)NC[C@H]2CC3(CC[NH2+]CC3)C(=O)O2)c1 ZINC000926080724 664681156 /nfs/dbraw/zinc/68/11/56/664681156.db2.gz HZJYMHWKQWKSFG-GFCCVEGCSA-N 1 0 396.285 2.564 20 0 GFADRO COC(=O)c1cc(NC(=O)N2CC[C@H](CC[NH3+])C2)c(C)cc1Br ZINC000926116633 664682188 /nfs/dbraw/zinc/68/21/88/664682188.db2.gz RLPXXWFMSYSUTP-NSHDSACASA-N 1 0 384.274 2.747 20 0 GFADRO Cc1cc(Br)nc(NC(=O)N2CC[C@H](C(F)(F)F)[C@H]([NH3+])C2)c1 ZINC000926137261 664682639 /nfs/dbraw/zinc/68/26/39/664682639.db2.gz SAMMIMLASISQEN-DTWKUNHWSA-N 1 0 381.196 2.896 20 0 GFADRO Cc1ccc(C(=O)N[C@@H]2C[C@]3(C[N@@H+](C)[C@H]3C(C)C)C[C@H]2O)cc1Br ZINC000926166162 664683420 /nfs/dbraw/zinc/68/34/20/664683420.db2.gz HVGGNLZDVOKLTN-VXIBKDFQSA-N 1 0 395.341 2.967 20 0 GFADRO CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NC(=O)c1c(F)cccc1Br)C2 ZINC000926166128 664683443 /nfs/dbraw/zinc/68/34/43/664683443.db2.gz HBAUKDMTDNJXOA-AHEZYBDSSA-N 1 0 399.304 2.798 20 0 GFADRO Cc1cc(Br)cc(C(=O)N[C@@H]2C[C@]3(C[N@@H+](C)[C@@H]3C(C)C)C[C@H]2O)c1 ZINC000926157636 664683466 /nfs/dbraw/zinc/68/34/66/664683466.db2.gz CSHGLKJHGFNIMK-YWTNHNAXSA-N 1 0 395.341 2.967 20 0 GFADRO Cc1c(Br)cccc1C(=O)N[C@@H]1C[C@]2(C[N@@H+](C)[C@@H]2C(C)C)C[C@H]1O ZINC000926169360 664683621 /nfs/dbraw/zinc/68/36/21/664683621.db2.gz DAVSMQYBQLHANF-YWTNHNAXSA-N 1 0 395.341 2.967 20 0 GFADRO Cc1ncc(C(=O)N[C@@H]2C[C@]3(C[N@@H+](C)[C@@H]3C(C)C)C[C@H]2O)c(Cl)c1Cl ZINC000926170955 664683805 /nfs/dbraw/zinc/68/38/05/664683805.db2.gz SZKVJJZOGUANFC-ZHCAMHROSA-N 1 0 386.323 2.906 20 0 GFADRO C[C@@H]1CN(C(=O)Nc2ccc(I)cc2F)C[C@H]1CC[NH3+] ZINC000926175608 664683907 /nfs/dbraw/zinc/68/39/07/664683907.db2.gz ZGQLBBNNJAAHMU-NXEZZACHSA-N 1 0 391.228 2.879 20 0 GFADRO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NC(=O)c3cc(Br)co3)C2)[C@@H]1C(C)C ZINC000926233768 664684921 /nfs/dbraw/zinc/68/49/21/664684921.db2.gz DXEONRRVOMYKKX-LGWLGOQQSA-N 1 0 385.302 2.642 20 0 GFADRO CC(C)[C@H](CC(F)(F)F)[NH2+][C@H](C)c1ccc(S(=O)(=O)CC(N)=O)cc1 ZINC000926236381 664684978 /nfs/dbraw/zinc/68/49/78/664684978.db2.gz NVRBNWOBLSIAMN-RISCZKNCSA-N 1 0 380.432 2.573 20 0 GFADRO O=S(=O)(NCCC[NH2+][C@@H](C1CC1)C1CCOCC1)c1ccccc1Cl ZINC000926354599 664688508 /nfs/dbraw/zinc/68/85/08/664688508.db2.gz UNOSKAUXYGPOBV-SFHVURJKSA-N 1 0 386.945 2.803 20 0 GFADRO O=S(=O)(NCC[NH2+][C@@H](C1CC1)C1CCOCC1)c1ccc(F)cc1Cl ZINC000926369899 664688969 /nfs/dbraw/zinc/68/89/69/664688969.db2.gz OIVSIXXSOMVWNG-KRWDZBQOSA-N 1 0 390.908 2.552 20 0 GFADRO C[C@H]([NH2+]C[C@@H](N1CCOCC1)C(F)(F)F)c1cccc(Br)n1 ZINC000926419397 664689721 /nfs/dbraw/zinc/68/97/21/664689721.db2.gz UIHDKYONNIFXKM-CMPLNLGQSA-N 1 0 382.224 2.758 20 0 GFADRO C[C@@H]([NH2+][C@@H]1CCCN(S(=O)(=O)N(C)C)C1)c1csc(C(F)(F)F)c1 ZINC000926421503 664689736 /nfs/dbraw/zinc/68/97/36/664689736.db2.gz RVABDFATYAVDQB-ZYHUDNBSSA-N 1 0 385.477 2.688 20 0 GFADRO Cc1occc1[C@H](Cc1ccccc1Cl)[NH2+]C[C@@]1(O)CCS(=O)(=O)C1 ZINC000926507561 664691015 /nfs/dbraw/zinc/69/10/15/664691015.db2.gz FUCIPFRQRYVCHF-ROUUACIJSA-N 1 0 383.897 2.664 20 0 GFADRO C[C@@H]([NH2+][C@@H]1CCc2cc(F)c(F)c(F)c21)C1CCN(S(C)(=O)=O)CC1 ZINC000926535252 664691607 /nfs/dbraw/zinc/69/16/07/664691607.db2.gz PDJMUAAZNISHTN-QMTHXVAHSA-N 1 0 376.444 2.741 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCc2cc(F)c(F)c(F)c21)C1CCN(S(C)(=O)=O)CC1 ZINC000926535251 664691612 /nfs/dbraw/zinc/69/16/12/664691612.db2.gz PDJMUAAZNISHTN-IINYFYTJSA-N 1 0 376.444 2.741 20 0 GFADRO O[C@H](C[NH2+][C@H](Cc1ccccc1Br)c1ccoc1)Cn1ccnn1 ZINC000926573659 664692696 /nfs/dbraw/zinc/69/26/96/664692696.db2.gz OONXFYLYAFGJRX-NVXWUHKLSA-N 1 0 391.269 2.568 20 0 GFADRO O=C1OC[C@]2(C[NH2+]C(CCC(F)(F)F)CCC(F)(F)F)COCCN12 ZINC000926794651 664696646 /nfs/dbraw/zinc/69/66/46/664696646.db2.gz AFXCMSBDMCJLJV-LBPRGKRZSA-N 1 0 378.313 2.851 20 0 GFADRO COCCc1nc(C)c([C@H](C)[NH2+]CCc2ccccc2S(C)(=O)=O)s1 ZINC000926909274 664698910 /nfs/dbraw/zinc/69/89/10/664698910.db2.gz YHKAGQFUFYURSS-ZDUSSCGKSA-N 1 0 382.551 2.937 20 0 GFADRO C[C@@H]([NH2+][C@@H]1CCS[C@H](C)C1)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000927035045 664702721 /nfs/dbraw/zinc/70/27/21/664702721.db2.gz ZRGBYSRZNVCJRL-BFYDXBDKSA-N 1 0 384.567 2.642 20 0 GFADRO Cn1cc(CNC(=O)[C@@H](C[NH+]2CCCC2)c2ccccc2)c(Br)n1 ZINC000927622518 664712054 /nfs/dbraw/zinc/71/20/54/664712054.db2.gz JYNCXCGHVZZFQT-INIZCTEOSA-N 1 0 391.313 2.678 20 0 GFADRO CN(C)c1cc[nH+]c(CNC(=O)[C@H]2COc3ccc(Br)cc32)c1 ZINC000927701806 664714299 /nfs/dbraw/zinc/71/42/99/664714299.db2.gz DMCUCUYCCWAJKH-HNNXBMFYSA-N 1 0 376.254 2.703 20 0 GFADRO CO[C@H](C(=O)NCc1cc(N(C)C)cc[nH+]1)c1ccc(Br)s1 ZINC000927711644 664714448 /nfs/dbraw/zinc/71/44/48/664714448.db2.gz VNZDVHOSYKXNIZ-AWEZNQCLSA-N 1 0 384.299 2.976 20 0 GFADRO CC[NH+]1CCN(CCC(=O)NCc2cc(Br)ccc2Cl)CC1 ZINC000927723593 664714480 /nfs/dbraw/zinc/71/44/80/664714480.db2.gz AUFXPQLCZAQYJX-UHFFFAOYSA-N 1 0 388.737 2.746 20 0 GFADRO O=C(NCc1cc(Br)ccc1Cl)C1C[NH+](C2CCOCC2)C1 ZINC000927721161 664714492 /nfs/dbraw/zinc/71/44/92/664714492.db2.gz BSEAWDYDRUWEGI-UHFFFAOYSA-N 1 0 387.705 2.830 20 0 GFADRO CC(C)(C)OC(=O)NC1CC[NH+](CCNC(=O)/C=C/C=C(Cl)Cl)CC1 ZINC000927845445 664716537 /nfs/dbraw/zinc/71/65/37/664716537.db2.gz VYOFSYLKKBSOBV-GQCTYLIASA-N 1 0 392.327 2.967 20 0 GFADRO Cc1cc(Br)c(Cl)cc1NC(=O)C(=O)N1CC[C@@H](CC[NH3+])C1 ZINC000927887568 664717252 /nfs/dbraw/zinc/71/72/52/664717252.db2.gz DBJDIFZGMUYBPC-SNVBAGLBSA-N 1 0 388.693 2.547 20 0 GFADRO [NH3+][C@@H]1CC[C@H](CNC(=O)C(=O)Nc2ccc(-c3ccc(Cl)s3)nc2)C1 ZINC000927931432 664718086 /nfs/dbraw/zinc/71/80/86/664718086.db2.gz XYBPVBKWJJKFLL-WDEREUQCSA-N 1 0 378.885 2.646 20 0 GFADRO O=C([C@H]1CCn2cncc2C1)N1CCc2ccc(Br)c(F)c2C1 ZINC000928016817 664720285 /nfs/dbraw/zinc/72/02/85/664720285.db2.gz QZCUTOUEIUVUHL-LBPRGKRZSA-N 1 0 378.245 2.932 20 0 GFADRO Cc1nc(CC(F)(F)F)sc1CC(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000928103144 664723263 /nfs/dbraw/zinc/72/32/63/664723263.db2.gz PWUSVWIHCVFTRA-VXGBXAGGSA-N 1 0 393.500 2.795 20 0 GFADRO C[C@@H]1[C@@H](NC(=O)c2nn(-c3ccc(F)cc3)cc2Br)CC[N@@H+]1C ZINC000928440101 664732557 /nfs/dbraw/zinc/73/25/57/664732557.db2.gz ASULTPLORFGPRD-YGRLFVJLSA-N 1 0 381.249 2.596 20 0 GFADRO C[N@@H+]1CC[C@H]1CNC(=O)Cc1csc(-c2cc(Br)cs2)n1 ZINC000928564900 664735193 /nfs/dbraw/zinc/73/51/93/664735193.db2.gz GUZWGLRMLZFQBK-NSHDSACASA-N 1 0 386.340 2.997 20 0 GFADRO CC(C)[N@@H+](Cc1ccc(Br)cc1)CC1CN(S(C)(=O)=O)C1 ZINC000929341081 664750613 /nfs/dbraw/zinc/75/06/13/664750613.db2.gz KFOLRFDYVNVXCV-UHFFFAOYSA-N 1 0 375.332 2.551 20 0 GFADRO CCC[NH+]1CCC(NC(=O)c2cc(Br)c3nccnc3c2)CC1 ZINC000929407327 664751824 /nfs/dbraw/zinc/75/18/24/664751824.db2.gz FSQHGZHMSAQTSF-UHFFFAOYSA-N 1 0 377.286 2.997 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)C1(n2cc(Br)cn2)CC1)c1cccc(F)c1 ZINC000929467619 664752966 /nfs/dbraw/zinc/75/29/66/664752966.db2.gz OIUXPZPZPRCRSG-HNNXBMFYSA-N 1 0 395.276 2.693 20 0 GFADRO O=C(NC1CC[NH+](C2CC2)CC1)c1cc(Br)c2nccnc2c1 ZINC000929619790 664754967 /nfs/dbraw/zinc/75/49/67/664754967.db2.gz OTLJTAIWTXLHAG-UHFFFAOYSA-N 1 0 375.270 2.749 20 0 GFADRO C[C@@H]([NH2+]C[C@@H]1CCC2(COC2)O1)c1cc2c(cc1Br)OCCO2 ZINC000930207574 664764572 /nfs/dbraw/zinc/76/45/72/664764572.db2.gz AVKCJHAUGATUOU-NEPJUHHUSA-N 1 0 384.270 2.819 20 0 GFADRO NC(=O)C1([NH2+]C[C@@H](O)c2ccc(-c3ccc(Br)cc3)cc2)CC1 ZINC000930244730 664764997 /nfs/dbraw/zinc/76/49/97/664764997.db2.gz UUEMMCGJXYLYTL-MRXNPFEDSA-N 1 0 375.266 2.757 20 0 GFADRO Cc1cc([C@H]2CCC[N@@H+]2CC2CN(S(C)(=O)=O)C2)ccc1Br ZINC000930304864 664766627 /nfs/dbraw/zinc/76/66/27/664766627.db2.gz JNBDPBZDZVULFS-MRXNPFEDSA-N 1 0 387.343 2.786 20 0 GFADRO Cc1cccc(CN2CCC(N3CCCS3(=O)=O)CC2)c1Br ZINC000930708452 664776846 /nfs/dbraw/zinc/77/68/46/664776846.db2.gz MABDUAUMQBBWHV-UHFFFAOYSA-N 1 0 387.343 2.757 20 0 GFADRO COC[C@H]([NH2+]Cc1cc(C(=O)OC)ccc1Br)C1CCOCC1 ZINC000930925939 664781089 /nfs/dbraw/zinc/78/10/89/664781089.db2.gz WYTFHPAMYFQDRK-INIZCTEOSA-N 1 0 386.286 2.767 20 0 GFADRO Cc1cc(Br)cc(NC(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)c1 ZINC000930945136 664781717 /nfs/dbraw/zinc/78/17/17/664781717.db2.gz SQEJWOPDQGQMSF-HOTGVXAUSA-N 1 0 382.302 2.820 20 0 GFADRO O=C(c1cnn2cccc(Br)c12)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000931190797 664788023 /nfs/dbraw/zinc/78/80/23/664788023.db2.gz UMLNAMCKQLLOBG-CYBMUJFWSA-N 1 0 377.286 2.797 20 0 GFADRO C[NH+](C)CC1(O)CCN(Cc2cccc(Br)c2OC(F)F)CC1 ZINC000931482344 664796146 /nfs/dbraw/zinc/79/61/46/664796146.db2.gz FBXOFVANVIPVPW-UHFFFAOYSA-N 1 0 393.272 2.939 20 0 GFADRO OCCCCC[NH+]1CCN(C[C@@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000931501573 664796639 /nfs/dbraw/zinc/79/66/39/664796639.db2.gz ZIKLBUXBOQJWRO-OAHLLOKOSA-N 1 0 391.339 2.513 20 0 GFADRO Cc1cnc(Br)c(NC(=O)N[C@H]2CCC[N@@H+]3CCSC[C@H]23)c1 ZINC000931507887 664796732 /nfs/dbraw/zinc/79/67/32/664796732.db2.gz ALPVHXUEEMPVRE-WCQYABFASA-N 1 0 385.331 2.854 20 0 GFADRO C[C@@H](C(=O)Nc1cccc(Br)c1)N1CCc2[nH+]ccc(N)c2C1 ZINC000931508930 664796739 /nfs/dbraw/zinc/79/67/39/664796739.db2.gz LIDSPOHZGBECEL-NSHDSACASA-N 1 0 375.270 2.812 20 0 GFADRO C[C@@H](C(=O)Nc1ccccc1Br)N1CCc2[nH+]ccc(N)c2C1 ZINC000931512415 664797098 /nfs/dbraw/zinc/79/70/98/664797098.db2.gz OBBGECXJTPPBDD-NSHDSACASA-N 1 0 375.270 2.812 20 0 GFADRO O=C(C[C@@H]1C(=O)Nc2ccc(Br)cc21)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000931653090 664801786 /nfs/dbraw/zinc/80/17/86/664801786.db2.gz SOWYEYMJJSNSQJ-HIFRSBDPSA-N 1 0 392.297 2.572 20 0 GFADRO CC[NH+]1CCC(n2nccc2NC(=O)c2ccc(Br)[nH]c2=O)CC1 ZINC000931675765 664802474 /nfs/dbraw/zinc/80/24/74/664802474.db2.gz RRSHXTOTEFVQBS-UHFFFAOYSA-N 1 0 394.273 2.655 20 0 GFADRO O=C(Nc1nn(CC(F)(F)F)cc1Cl)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000931798194 664805225 /nfs/dbraw/zinc/80/52/25/664805225.db2.gz AJOSPCSMRJEPMC-QWRGUYRKSA-N 1 0 397.854 2.800 20 0 GFADRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)Nc1nnc(C(F)(F)C(F)(F)F)s1 ZINC000932089161 664809900 /nfs/dbraw/zinc/80/99/00/664809900.db2.gz BJKUEGQNYZHCLG-HTRCEHHLSA-N 1 0 385.362 2.796 20 0 GFADRO O=C(N1CCCC[C@@H]([NH+]2CCCC2)C1)C1(n2cc(Br)cn2)CC1 ZINC000932273377 664817917 /nfs/dbraw/zinc/81/79/17/664817917.db2.gz BGHDWNSCAKAGSG-OAHLLOKOSA-N 1 0 381.318 2.612 20 0 GFADRO O=C(Nc1cccc(F)c1Br)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000932420668 664822078 /nfs/dbraw/zinc/82/20/78/664822078.db2.gz DUSXIXKBOIQIBM-UONOGXRCSA-N 1 0 386.265 2.651 20 0 GFADRO CN(C(=O)C[C@@H]1C(=O)Nc2ccc(Br)cc21)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000932547262 664825198 /nfs/dbraw/zinc/82/51/98/664825198.db2.gz GNAOGQDLVLGGBL-HIFRSBDPSA-N 1 0 392.297 2.570 20 0 GFADRO CSCC1CCN(CC(=O)NC[C@H](C)[NH+]2CCC(CSC)CC2)CC1 ZINC000932586540 664829580 /nfs/dbraw/zinc/82/95/80/664829580.db2.gz ZKYAMJOWVYUXOE-INIZCTEOSA-N 1 0 387.659 2.641 20 0 GFADRO C[NH+](C)CCOC1CCN(C(=O)c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000932678949 664831668 /nfs/dbraw/zinc/83/16/68/664831668.db2.gz PCGAMOXQIXJDCA-UHFFFAOYSA-N 1 0 379.810 2.937 20 0 GFADRO CC[NH+]1CCN([C@H](C)CNC(=O)C/C=C\c2ccc(Br)cc2)CC1 ZINC000932704628 664832391 /nfs/dbraw/zinc/83/23/91/664832391.db2.gz VZFGVDDSGKVVSG-YIEVGGLXSA-N 1 0 394.357 2.995 20 0 GFADRO CC[NH+]1CCN([C@H](C)CNC(=O)C/C=C/c2ccc(Br)cc2)CC1 ZINC000932704627 664832454 /nfs/dbraw/zinc/83/24/54/664832454.db2.gz VZFGVDDSGKVVSG-DWTRPJMMSA-N 1 0 394.357 2.995 20 0 GFADRO Cc1c(Br)ccc(F)c1C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000932716098 664832597 /nfs/dbraw/zinc/83/25/97/664832597.db2.gz XQYOCRGHUUGZDD-LBPRGKRZSA-N 1 0 386.309 2.510 20 0 GFADRO C[C@H](C(=O)N1CC[C@H](C[NH+](C)C)C1)c1ccc(I)cc1 ZINC000932796263 664839166 /nfs/dbraw/zinc/83/91/66/664839166.db2.gz WHFUPUAMSTWPBW-QWHCGFSZSA-N 1 0 386.277 2.805 20 0 GFADRO CSc1ccc(OC[C@H](O)C[NH+]2CCC(CO)(C(F)(F)F)CC2)cc1 ZINC000932830905 664841289 /nfs/dbraw/zinc/84/12/89/664841289.db2.gz WQYHEFDLHFAIPZ-CYBMUJFWSA-N 1 0 379.444 2.785 20 0 GFADRO CCc1ccc(Br)cc1C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000932913710 664842854 /nfs/dbraw/zinc/84/28/54/664842854.db2.gz QLMHCRYQESGWDR-KRWDZBQOSA-N 1 0 394.357 2.864 20 0 GFADRO C[C@@]1(Cc2cc(Cl)cs2)CCC[N@@H+]1CC1(O)CCS(=O)(=O)CC1 ZINC000932924592 664843128 /nfs/dbraw/zinc/84/31/28/664843128.db2.gz ZTNZSDCDZWUFFW-HNNXBMFYSA-N 1 0 377.959 2.738 20 0 GFADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2cnc(OC)c(Br)c2C)C1 ZINC000932948099 664844389 /nfs/dbraw/zinc/84/43/89/664844389.db2.gz IMOPHGLFDJDGAQ-LBPRGKRZSA-N 1 0 385.306 2.967 20 0 GFADRO Cc1ccc(Br)c2cc(C(=O)NCCC[NH+]3CCC(O)CC3)[nH]c21 ZINC000933133670 664850538 /nfs/dbraw/zinc/85/05/38/664850538.db2.gz WTJCQFQXFIXDPL-UHFFFAOYSA-N 1 0 394.313 2.815 20 0 GFADRO OC[C@H]([NH2+]C[C@@H](O)COCc1cccs1)c1ccccc1C(F)(F)F ZINC000933245857 664853427 /nfs/dbraw/zinc/85/34/27/664853427.db2.gz FMEHDZMAAMSBGN-WBMJQRKESA-N 1 0 375.412 2.968 20 0 GFADRO OC[C@H]([NH2+]C[C@H](O)c1cc(Br)no1)c1ccccc1C(F)(F)F ZINC000933243287 664853491 /nfs/dbraw/zinc/85/34/91/664853491.db2.gz OGAXAERLABZDDG-QWRGUYRKSA-N 1 0 395.175 2.813 20 0 GFADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)Nc1c(F)ccc(Br)c1F ZINC000933286418 664854339 /nfs/dbraw/zinc/85/43/39/664854339.db2.gz BLCBTOHCTPCXKI-NXEZZACHSA-N 1 0 390.228 2.712 20 0 GFADRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C[C@H]1C(=O)Nc2ccc(Br)cc21 ZINC000933436640 664863749 /nfs/dbraw/zinc/86/37/49/664863749.db2.gz VDYWDYWPVKKSSA-DJSGYFEHSA-N 1 0 394.313 2.674 20 0 GFADRO O=C1OCCCN1C1CC[NH+](C[C@H](O)c2ccc(Br)cc2)CC1 ZINC000933615152 664870588 /nfs/dbraw/zinc/87/05/88/664870588.db2.gz YPFPCVHWUNGMOG-INIZCTEOSA-N 1 0 383.286 2.789 20 0 GFADRO C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)c2ncc(Br)cn2)C1 ZINC000933693208 664873367 /nfs/dbraw/zinc/87/33/67/664873367.db2.gz GLHPGPKQHSHCOW-HNNXBMFYSA-N 1 0 375.270 2.586 20 0 GFADRO COCCOc1ccc(NC(=O)NCC[C@@H](C)[NH+](C)C)cc1Br ZINC000933983217 664884362 /nfs/dbraw/zinc/88/43/62/664884362.db2.gz LFUCYJFITLFUOJ-GFCCVEGCSA-N 1 0 388.306 2.936 20 0 GFADRO CN1CCN(Cc2ncc(-c3ccccc3Br)o2)CC[N@H+](C)CC1 ZINC000933997355 664886344 /nfs/dbraw/zinc/88/63/44/664886344.db2.gz LZSLKPPNKGMEKZ-UHFFFAOYSA-N 1 0 393.329 2.783 20 0 GFADRO C[NH+](C)[C@]1(CNC(=O)c2cc(Br)cnc2C2CC2)CCSC1 ZINC000934076639 664889335 /nfs/dbraw/zinc/88/93/35/664889335.db2.gz AFJWESKQUKLREH-INIZCTEOSA-N 1 0 384.343 2.889 20 0 GFADRO C[NH+](C)[C@@]1(CNC(=O)c2cc(Br)c3nccnc3c2)CCSC1 ZINC000934080586 664889619 /nfs/dbraw/zinc/88/96/19/664889619.db2.gz XTBQCTKSQCGUTL-MRXNPFEDSA-N 1 0 395.326 2.559 20 0 GFADRO CCCCC1([NH2+]CC(=O)N(Cc2cccs2)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000934210631 664892461 /nfs/dbraw/zinc/89/24/61/664892461.db2.gz RXHRQSCFWUERTK-OAHLLOKOSA-N 1 0 384.567 2.576 20 0 GFADRO C[C@H]([NH2+][C@H]1CCOC12CCOCC2)C(=O)Nc1ccccc1Br ZINC000934408668 664906149 /nfs/dbraw/zinc/90/61/49/664906149.db2.gz HUWDXKHDUKTGCT-WFASDCNBSA-N 1 0 383.286 2.704 20 0 GFADRO Cc1ccccc1OCCN1C[C@@H]2[C@](C(F)(F)F)(C1)CCCS2(=O)=O ZINC000934786427 664921842 /nfs/dbraw/zinc/92/18/42/664921842.db2.gz AAMSNAQDNCEODT-HZPDHXFCSA-N 1 0 377.428 2.815 20 0 GFADRO OC[C@H]([NH2+]CCCCCn1cccn1)c1ccccc1I ZINC000934830440 664926456 /nfs/dbraw/zinc/92/64/56/664926456.db2.gz ZJJIMMVZVQARHT-INIZCTEOSA-N 1 0 399.276 2.981 20 0 GFADRO Cc1ccc([C@H](O)C[NH2+][C@@H](CO)c2ccccc2I)cc1 ZINC000934829754 664926468 /nfs/dbraw/zinc/92/64/68/664926468.db2.gz SXJWNFJUCYDKRV-DLBZAZTESA-N 1 0 397.256 2.956 20 0 GFADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3nc(Br)c4ccccn43)CC[C@H]21 ZINC000934890309 664928367 /nfs/dbraw/zinc/92/83/67/664928367.db2.gz MSJISYQNBPIFGA-CHWSQXEVSA-N 1 0 377.286 2.653 20 0 GFADRO Cc1c(Br)cc(F)cc1C(=O)NCCCC[N@@H+]1CCC[C@@H]1CO ZINC000934951788 664931635 /nfs/dbraw/zinc/93/16/35/664931635.db2.gz HKFRFUFRAPJQGN-CQSZACIVSA-N 1 0 387.293 2.863 20 0 GFADRO C[C@@H](Cc1cc(Br)ccc1F)NC(=O)COC1CC[NH+](C)CC1 ZINC000935081802 664938649 /nfs/dbraw/zinc/93/86/49/664938649.db2.gz ATXVUCNJEWQALM-LBPRGKRZSA-N 1 0 387.293 2.746 20 0 GFADRO C[N@@H+]1CC[C@@H](NC(=O)c2cc(=O)[nH]cc2Br)[C@@H]1c1ccccc1 ZINC000935118906 664941054 /nfs/dbraw/zinc/94/10/54/664941054.db2.gz OZCDHTMBZDDOSA-ZBFHGGJFSA-N 1 0 376.254 2.725 20 0 GFADRO CS[C@@H]1CN(C(=O)c2cnc(Br)c(C)c2)C[C@H]1[NH+]1CCCC1 ZINC000935367625 664956892 /nfs/dbraw/zinc/95/68/92/664956892.db2.gz MZCDXOUJVGLXDR-ZIAGYGMSSA-N 1 0 384.343 2.804 20 0 GFADRO C[NH+]1CCC(OCC(=O)NCc2cc3cc(Br)ccc3[nH]2)CC1 ZINC000935422755 664960563 /nfs/dbraw/zinc/96/05/63/664960563.db2.gz SLWUSCCYYQJGGO-UHFFFAOYSA-N 1 0 380.286 2.657 20 0 GFADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)C/C=C/c1ccc(Br)cc1 ZINC000935447232 664962424 /nfs/dbraw/zinc/96/24/24/664962424.db2.gz YJZNNCBTTKGMQM-QDLOVBKTSA-N 1 0 394.357 2.995 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)c1cnn(Cc2ccccc2)c1Br ZINC000935480462 664964285 /nfs/dbraw/zinc/96/42/85/664964285.db2.gz DBNPGFOMMBPQAL-HZPDHXFCSA-N 1 0 391.313 2.906 20 0 GFADRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1nc(Br)c2ccccn21 ZINC000935940679 665000207 /nfs/dbraw/zinc/00/02/07/665000207.db2.gz OYIOADOUCFBCKK-OLZOCXBDSA-N 1 0 377.286 2.796 20 0 GFADRO Cc1[nH]nc(Br)c1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000936004888 665003665 /nfs/dbraw/zinc/00/36/65/665003665.db2.gz FBOXLCHQNWTUBY-OCCSQVGLSA-N 1 0 377.286 2.873 20 0 GFADRO CN(C)CC[N@H+](C)CCCN(C)C(=O)c1cc(Br)cnc1C1CC1 ZINC000936010065 665004036 /nfs/dbraw/zinc/00/40/36/665004036.db2.gz UVWPKOPXDSVRPB-UHFFFAOYSA-N 1 0 397.361 2.677 20 0 GFADRO C[C@@H]1[C@H](C(=O)N[C@@H]2CCCC[C@H]2NC(=O)c2cscc2Cl)CC[N@@H+]1C ZINC000976761664 665017248 /nfs/dbraw/zinc/01/72/48/665017248.db2.gz LCXUQCBEZWSWDI-CZPYZCIJSA-N 1 0 383.945 2.899 20 0 GFADRO C[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cc(Cl)cs1 ZINC000998075962 665038508 /nfs/dbraw/zinc/03/85/08/665038508.db2.gz NGSMJSLLQXCJIY-QPSCCSFWSA-N 1 0 381.929 2.748 20 0 GFADRO Cc1csc(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C3)c1Cl ZINC001001698853 665052299 /nfs/dbraw/zinc/05/22/99/665052299.db2.gz LBDDEJNVWZJIFQ-MQYQWHSLSA-N 1 0 381.929 2.666 20 0 GFADRO C[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2csc(Cl)c2)CC1 ZINC001003747258 665061923 /nfs/dbraw/zinc/06/19/23/665061923.db2.gz XLHDYNMYRHKDQG-KFWWJZLASA-N 1 0 381.929 2.605 20 0 GFADRO C[C@H](C(=O)Nc1ccc(Br)cc1)N1CCC([N@H+](C)CCCO)CC1 ZINC000115550079 677395522 /nfs/dbraw/zinc/39/55/22/677395522.db2.gz APPWSSIXJRGLKR-CQSZACIVSA-N 1 0 398.345 2.555 20 0 GFADRO CC[NH+]1CCN([C@@H](C)CNC(=O)CCOc2cccc(Cl)c2Cl)CC1 ZINC000120872218 677398076 /nfs/dbraw/zinc/39/80/76/677398076.db2.gz PWUFXVHIFVKQTH-AWEZNQCLSA-N 1 0 388.339 2.905 20 0 GFADRO Cc1ncc(C[NH2+]CCOc2ccc(S(=O)(=O)C(F)(F)F)cc2)s1 ZINC000121663851 677400116 /nfs/dbraw/zinc/40/01/16/677400116.db2.gz HEVPFUZBJILRIK-UHFFFAOYSA-N 1 0 380.413 2.914 20 0 GFADRO C[N@H+](CCCNS(=O)(=O)c1c(Cl)nc2sccn21)Cc1ccccc1 ZINC000384017645 677407098 /nfs/dbraw/zinc/40/70/98/677407098.db2.gz MRJDUFCTWCUBBH-UHFFFAOYSA-N 1 0 398.941 2.850 20 0 GFADRO FC(F)(c1ccc(-c2ccc(Cl)nn2)cc1)N1CC[C@H]2[NH2+]CCO[C@@H]2C1 ZINC001164389353 718824945 /nfs/dbraw/zinc/82/49/45/718824945.db2.gz HXARPSYVDAIVAY-HZPDHXFCSA-N 1 0 380.826 2.909 20 0 GFADRO Fc1ccc(-c2cc(C(F)(F)N3CCN4CC[NH2+]C[C@@H]4C3)c(Cl)nn2)cc1 ZINC001164400505 718844426 /nfs/dbraw/zinc/84/44/26/718844426.db2.gz YPNIBVUSPLPPAH-CQSZACIVSA-N 1 0 397.832 2.575 20 0 GFADRO OC[C@@]12C[NH2+]C[C@H]1CN(C(F)(F)Oc1ccccc1-c1cccc(Cl)n1)C2 ZINC001164407468 718854005 /nfs/dbraw/zinc/85/40/05/718854005.db2.gz PICBRYMTRZEFDA-UGSOOPFHSA-N 1 0 395.837 2.845 20 0 GFADRO O=C1Nc2ccccc2[C@@H]2CN(c3cccc(OCC[NH+]4CCCC4)n3)C[C@@H]12 ZINC001164402197 718857514 /nfs/dbraw/zinc/85/75/14/718857514.db2.gz JHXCLAYHKYNBBB-ZWKOTPCHSA-N 1 0 378.476 2.728 20 0 GFADRO F[C@H](Oc1cccc(-c2ccc(Cl)nn2)c1)N1CCO[C@H]2C[NH2+]CC[C@H]2C1 ZINC001164409892 718864668 /nfs/dbraw/zinc/86/46/68/718864668.db2.gz VFJLYMVLJDIZCN-FNHZYXHNSA-N 1 0 392.862 2.739 20 0 GFADRO FC(F)(c1ccc(Cl)nc1Cl)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001164416408 718884858 /nfs/dbraw/zinc/88/48/58/718884858.db2.gz VYJOBHDFZLBBPP-UHFFFAOYSA-N 1 0 389.237 2.624 20 0 GFADRO C[C@@H]1CCc2c(sc3nc(CN4CCCC4)nc(N4C[C@@H]5C[C@]5([NH3+])C4)c23)C1 ZINC001164422041 718888373 /nfs/dbraw/zinc/88/83/73/718888373.db2.gz ZKXDDPDUNJRRCJ-YPENRWOSSA-N 1 0 383.565 2.949 20 0 GFADRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@@H]2N1C(F)(F)c1ccc(Cl)c(Cl)n1 ZINC001164613985 719014685 /nfs/dbraw/zinc/01/46/85/719014685.db2.gz AYZDQWMYTAAVSJ-LSJOCFKGSA-N 1 0 380.222 2.663 20 0 GFADRO CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@H]2N1C(F)(F)c1cc(SC)cnc1Cl ZINC001164620373 719016969 /nfs/dbraw/zinc/01/69/69/719016969.db2.gz YPRGLNPFYDZKFV-JIMOISOXSA-N 1 0 391.871 2.732 20 0 GFADRO COC(=O)c1ccc(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)nc1OC ZINC001164626582 719061580 /nfs/dbraw/zinc/06/15/80/719061580.db2.gz OQYUIQAJLBDFNM-PKOBYXMFSA-N 1 0 381.476 2.978 20 0 GFADRO CON(C)C(=O)c1cccnc1N1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001164628125 719090066 /nfs/dbraw/zinc/09/00/66/719090066.db2.gz MCNFDUGRKSBSCC-AZUAARDMSA-N 1 0 380.492 2.816 20 0 GFADRO CC1(C)C(=O)Nc2ncnc(N3CCC[C@@H]4C[N@H+](Cc5ccccc5)C[C@H]43)c21 ZINC001164627358 719094274 /nfs/dbraw/zinc/09/42/74/719094274.db2.gz JYDOYEOVBAOINL-IAGOWNOFSA-N 1 0 377.492 2.807 20 0 GFADRO NC(=O)c1cc(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)nc(C2CC2)n1 ZINC001164622619 719114812 /nfs/dbraw/zinc/11/48/12/719114812.db2.gz CDHOGGGNFOUBGT-PKOBYXMFSA-N 1 0 377.492 2.554 20 0 GFADRO COC(=O)c1ccc(C(F)(F)N2C[C@H](C3([NH3+])CC3)[C@H](CF)C2)nc1Cl ZINC001164631598 719117580 /nfs/dbraw/zinc/11/75/80/719117580.db2.gz YRILKHGAIAILIN-KOLCDFICSA-N 1 0 377.794 2.580 20 0 GFADRO COC(=O)c1cnc(Cl)cc1C(F)(F)N1C[C@H](CF)[C@H](C2([NH3+])CC2)C1 ZINC001164624192 719121697 /nfs/dbraw/zinc/12/16/97/719121697.db2.gz UQHVTNMDXRHYBQ-JOYOIKCWSA-N 1 0 377.794 2.580 20 0 GFADRO COC(=O)/C=C/c1ccc(NC(=O)C(C)(C)C)c(N2C[C@H](C)[N@H+](C)C[C@H]2C)n1 ZINC001164641749 719222430 /nfs/dbraw/zinc/22/24/30/719222430.db2.gz UYJFMLOTNPRYMT-XXQUSICCSA-N 1 0 388.512 2.781 20 0 GFADRO COc1ccc(-c2nc3ccc(F)cc3c(N3C[C@@H]4[C@H](C3)OCC[N@@H+]4C)n2)cc1 ZINC001164668173 719383056 /nfs/dbraw/zinc/38/30/56/719383056.db2.gz QRSCCGRXELBXKL-UXHICEINSA-N 1 0 394.450 2.964 20 0 GFADRO COc1cccc(-c2ccc(-n3nc(CN(C)C(C)C)c4c3C[NH2+]CC4)nn2)c1 ZINC001164679552 719641239 /nfs/dbraw/zinc/64/12/39/719641239.db2.gz GGWYPDXWKFEVQJ-UHFFFAOYSA-N 1 0 392.507 2.824 20 0 GFADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2cc4c(nn2)CCOC4)CC3)cs1 ZINC001164691532 719816047 /nfs/dbraw/zinc/81/60/47/719816047.db2.gz GHEWSOXXMVYQJS-UHFFFAOYSA-N 1 0 385.537 2.949 20 0 GFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1ccnc(Cl)n1)C2 ZINC001164811398 720064346 /nfs/dbraw/zinc/06/43/46/720064346.db2.gz OFSHTHSPHWZTMH-YOEHRIQHSA-N 1 0 386.874 2.860 20 0 GFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(C)cc(C)c1C(=O)OC)C2 ZINC001164811625 720112697 /nfs/dbraw/zinc/11/26/97/720112697.db2.gz NAGYNQAAFVGYAV-AVRDEDQJSA-N 1 0 387.524 2.670 20 0 GFADRO CCOc1ccnc(N2CCC3(C[C@H](COC)[N@H+](Cc4ccccn4)C3)CC2)n1 ZINC001164714228 720112919 /nfs/dbraw/zinc/11/29/19/720112919.db2.gz AUTXXSNYEYEWCG-LJQANCHMSA-N 1 0 397.523 2.778 20 0 GFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nccc(-c3cccnc3F)n1)C2 ZINC001164815905 720146923 /nfs/dbraw/zinc/14/69/23/720146923.db2.gz XICMPOZDHYGWSN-HTAPYJJXSA-N 1 0 397.498 2.862 20 0 GFADRO CCOc1nccnc1N1CCC2(C[C@@H](COC)[N@H+](Cc3ccccn3)C2)CC1 ZINC001164710816 720149540 /nfs/dbraw/zinc/14/95/40/720149540.db2.gz DDKJHXCGAQICSZ-IBGZPJMESA-N 1 0 397.523 2.778 20 0 GFADRO CC(C)c1ccc(N2CCc3c(nnn3C)[C@@H]2COCC[NH+]2CCCC2)nc1 ZINC001164717006 720184786 /nfs/dbraw/zinc/18/47/86/720184786.db2.gz IYEYBOMMJYJSEX-IBGZPJMESA-N 1 0 384.528 2.550 20 0 GFADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2nncc3ccccc32)CC1 ZINC001164827892 720305845 /nfs/dbraw/zinc/30/58/45/720305845.db2.gz YKKHESSRQXRVRB-WOJBJXKFSA-N 1 0 379.508 2.541 20 0 GFADRO Cc1c[nH]c2nc(N3CC[C@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)ccc12 ZINC001164825118 720308758 /nfs/dbraw/zinc/30/87/58/720308758.db2.gz SLHBACHNNHSCHB-OALUTQOASA-N 1 0 381.524 2.783 20 0 GFADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2cnc(-c3ccco3)cn2)CC1 ZINC001164818975 720312773 /nfs/dbraw/zinc/31/27/73/720312773.db2.gz CDWLNUCXIIUZIC-RTBURBONSA-N 1 0 395.507 2.648 20 0 GFADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2ccc3c(n2)CCCC3)CC1 ZINC001164818641 720312983 /nfs/dbraw/zinc/31/29/83/720312983.db2.gz AXHWFZUQZFOCCB-NHCUHLMSSA-N 1 0 382.552 2.872 20 0 GFADRO COc1ccc(Cl)nc1N1CC[C@@H]2[C@@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164826237 720323313 /nfs/dbraw/zinc/32/33/13/720323313.db2.gz FULMBWWLRPHNFN-JKSUJKDBSA-N 1 0 392.931 2.655 20 0 GFADRO COc1cnc(N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c(Cl)c1 ZINC001164834240 720328078 /nfs/dbraw/zinc/32/80/78/720328078.db2.gz YXZFBWCWJFCITC-QZTJIDSGSA-N 1 0 392.931 2.655 20 0 GFADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2ccc(-c3ccco3)nn2)CC1 ZINC001164821697 720343599 /nfs/dbraw/zinc/34/35/99/720343599.db2.gz BJLIGPCYRGSQRP-RBUKOAKNSA-N 1 0 395.507 2.648 20 0 GFADRO CCOC(=O)c1nnc(Cl)cc1N1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164725055 720373660 /nfs/dbraw/zinc/37/36/60/720373660.db2.gz LLHTXUNYTORSJO-GJZGRUSLSA-N 1 0 387.871 2.555 20 0 GFADRO CC(C)(C)NC(=O)c1ccc(N2CC[C@@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)nc1 ZINC001164728989 720384937 /nfs/dbraw/zinc/38/49/37/720384937.db2.gz UOYPYXOHWYZRGN-RTBURBONSA-N 1 0 379.508 2.858 20 0 GFADRO COc1nc(-c2ccccc2)nc(N2CC[C@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)n1 ZINC001164722476 720401810 /nfs/dbraw/zinc/40/18/10/720401810.db2.gz CSBGKZHEWNMCBF-OALUTQOASA-N 1 0 388.475 2.795 20 0 GFADRO CC1CCN(c2ccc(N3CC[C@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)nn2)CC1 ZINC001164728724 720443345 /nfs/dbraw/zinc/44/33/45/720443345.db2.gz GGGUSLVQDUWVCE-VQTJNVASSA-N 1 0 378.524 2.961 20 0 GFADRO C[C@@H]1CCCN(c2cc(N3CC[C@@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)ncn2)C1 ZINC001164735034 720462258 /nfs/dbraw/zinc/46/22/58/720462258.db2.gz VBSMRTILFRLLPB-MISYRCLQSA-N 1 0 378.524 2.961 20 0 GFADRO Cc1nc2[nH]ccc2c(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)n1 ZINC001164835246 720520184 /nfs/dbraw/zinc/52/01/84/720520184.db2.gz JGPOQAWZWAHHAD-ZHALLVOQSA-N 1 0 379.512 2.841 20 0 GFADRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(c2ccc(-c3c(F)cccc3F)nn2)C1 ZINC001164733845 720527834 /nfs/dbraw/zinc/52/78/34/720527834.db2.gz LWLKYPAYZVPYQE-CQSZACIVSA-N 1 0 384.434 2.816 20 0 GFADRO Cc1nc2c(c(N3CC[C@@H]4[C@H](C[C@H](Cn5cccn5)[N@H+]4C(C)C)C3)n1)CCC2 ZINC001164838816 720583538 /nfs/dbraw/zinc/58/35/38/720583538.db2.gz MAUIVUFEOBUOIS-DBXWQHBBSA-N 1 0 380.540 2.848 20 0 GFADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3nnc4ccccc4n3)CC[C@@H]21 ZINC001164841541 720616678 /nfs/dbraw/zinc/61/66/78/720616678.db2.gz SQTZCOYYCWQRJD-UWVAXJGDSA-N 1 0 377.496 2.599 20 0 GFADRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ccnc3ccnn31)CC2 ZINC001164839268 720655647 /nfs/dbraw/zinc/65/56/47/720655647.db2.gz JKVQZRJDAKRPLY-IBGZPJMESA-N 1 0 377.492 2.989 20 0 GFADRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1cc3c(cn1)NC(=O)C3)CC2 ZINC001164840474 720668582 /nfs/dbraw/zinc/66/85/82/720668582.db2.gz MRVOVTGPRKYZNJ-LJQANCHMSA-N 1 0 392.503 2.836 20 0 GFADRO COC(=O)c1nccnc1N1CCC2(C[C@@H]([N@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164840545 720670645 /nfs/dbraw/zinc/67/06/45/720670645.db2.gz NIQCBYMFERNBKR-GOSISDBHSA-N 1 0 396.491 2.523 20 0 GFADRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1cc3c(nn1)CCOC3)CC2 ZINC001164838373 720725350 /nfs/dbraw/zinc/72/53/50/720725350.db2.gz IIAOYEFYMOSHEG-FQEVSTJZSA-N 1 0 394.519 2.809 20 0 GFADRO Cc1cccc2nc(Cl)nc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)c12 ZINC001164746414 720734722 /nfs/dbraw/zinc/73/47/22/720734722.db2.gz XYFCVXLCKOFPIT-CABCVRRESA-N 1 0 396.882 2.724 20 0 GFADRO Cc1cccc(-c2ccc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)nn2)c1 ZINC001164737813 720763949 /nfs/dbraw/zinc/76/39/49/720763949.db2.gz CYGJNUVQHFPYDU-OALUTQOASA-N 1 0 388.475 2.584 20 0 GFADRO COCC[N@@H+]1CCO[C@H]2CN(C(F)(F)c3cnc(Cl)c(F)c3)CC[C@@H]2C1 ZINC001164857702 720851740 /nfs/dbraw/zinc/85/17/40/720851740.db2.gz YNIZLZATWVMDDO-DOMZBBRYSA-N 1 0 393.837 2.593 20 0 GFADRO COCC[N@@H+]1CCO[C@H]2CN(C(F)(F)c3nc(Cl)ccc3F)CC[C@H]2C1 ZINC001164854332 720853350 /nfs/dbraw/zinc/85/33/50/720853350.db2.gz JJBMYSLPATXENL-JSGCOSHPSA-N 1 0 393.837 2.593 20 0 GFADRO COCC[N@@H+]1CCO[C@H]2CN(c3cc(C)c4cc(OC)ccc4n3)CC[C@H]2C1 ZINC001164858463 720855398 /nfs/dbraw/zinc/85/53/98/720855398.db2.gz SCWCKLZIYYWPHB-UWJYYQICSA-N 1 0 385.508 2.725 20 0 GFADRO COCC[N@@H+]1CCO[C@@H]2CN(c3cc(C)c4cc(OC)ccc4n3)CC[C@H]2C1 ZINC001164858448 720855484 /nfs/dbraw/zinc/85/54/84/720855484.db2.gz SCWCKLZIYYWPHB-LAUBAEHRSA-N 1 0 385.508 2.725 20 0 GFADRO COCC[N@@H+]1CCO[C@H]2CN(c3cc(C)c4ccc(OC)cc4n3)CC[C@H]2C1 ZINC001164853573 720864213 /nfs/dbraw/zinc/86/42/13/720864213.db2.gz HNLVWOTVFXUBLC-UWJYYQICSA-N 1 0 385.508 2.725 20 0 GFADRO COCC[N@@H+]1CCO[C@H]2CN(c3cc(F)cc4ncnc(Cl)c43)CC[C@H]2C1 ZINC001164859636 720869700 /nfs/dbraw/zinc/86/97/00/720869700.db2.gz UWEAADFNROAYJH-GUYCJALGSA-N 1 0 394.878 2.596 20 0 GFADRO C[NH+](C)Cc1ccnc(N2CC[C@@]3(C2)C[C@H](NC(=O)c2ccccc2)CCO3)c1 ZINC001164855210 720902351 /nfs/dbraw/zinc/90/23/51/720902351.db2.gz HWNCWPXRBMSBSI-OFNKIYASSA-N 1 0 394.519 2.701 20 0 GFADRO COC(=O)c1cc(Cl)nc(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@@H]2C)n1 ZINC001164863096 720924338 /nfs/dbraw/zinc/92/43/38/720924338.db2.gz WZKBKHMHJNMSIG-LBPRGKRZSA-N 1 0 392.891 2.535 20 0 GFADRO COC(=O)c1cc(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@@H]2C)ncc1F ZINC001164858590 720946758 /nfs/dbraw/zinc/94/67/58/720946758.db2.gz JJZHMWXJYBFNKR-ZDUSSCGKSA-N 1 0 375.448 2.625 20 0 GFADRO COC(=O)c1nc(Cl)cnc1N1CCn2c(C[N@H+](C)C(C)C)cnc2[C@@H]1C ZINC001164863274 720964448 /nfs/dbraw/zinc/96/44/48/720964448.db2.gz ZLKMSJDDOZGWRN-LBPRGKRZSA-N 1 0 392.891 2.535 20 0 GFADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1ncnc3c1[C@@H](C)CC(=O)N3)[C@H]2C ZINC001164860494 720965041 /nfs/dbraw/zinc/96/50/41/720965041.db2.gz QFMVILJERPBHNS-KBPBESRZSA-N 1 0 383.500 2.540 20 0 GFADRO Clc1nnc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)c2cnccc12 ZINC001164869938 721057570 /nfs/dbraw/zinc/05/75/70/721057570.db2.gz UQLSRXNNPMMDIB-CVEARBPZSA-N 1 0 396.882 2.553 20 0 GFADRO Clc1cnc(Cl)c(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164866343 721080449 /nfs/dbraw/zinc/08/04/49/721080449.db2.gz SNLRMCYCNTXVII-KGLIPLIRSA-N 1 0 380.279 2.658 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4nc(Cl)nc5c4CCCC5)C[C@@H]3C2)cn1 ZINC001164772123 721092867 /nfs/dbraw/zinc/09/28/67/721092867.db2.gz UGAZDKMNLFMWDV-CVEARBPZSA-N 1 0 386.931 2.701 20 0 GFADRO Cc1nc2cc(F)ccc2c(N2C[C@@H]3C[N@H+](Cc4cnn(C)c4)CC[C@@H]3C2)n1 ZINC001164766655 721099231 /nfs/dbraw/zinc/09/92/31/721099231.db2.gz LBOMJDSUHWTONZ-SJORKVTESA-N 1 0 380.471 2.769 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(C(F)(F)c4cnc(Cl)cc4N)C[C@@H]3C2)cn1 ZINC001164773802 721139750 /nfs/dbraw/zinc/13/97/50/721139750.db2.gz ZCIFRSRTOYXIAW-KBPBESRZSA-N 1 0 396.873 2.554 20 0 GFADRO COc1ccc2nc(N3C[C@H]4CC[N@H+](Cc5cnn(C)c5)C[C@@H]4C3)nc(C)c2c1 ZINC001164771315 721154314 /nfs/dbraw/zinc/15/43/14/721154314.db2.gz RZSPLYBFUXQGJU-QZTJIDSGSA-N 1 0 392.507 2.639 20 0 GFADRO CC(C)OC(=O)c1cccnc1N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164880745 721181065 /nfs/dbraw/zinc/18/10/65/721181065.db2.gz XLKLZQXXMXQKLB-RTBURBONSA-N 1 0 396.491 2.522 20 0 GFADRO CSc1cnc(Cl)c(N2C[C@@H]3C[N@@H+](Cc4cnn(C)c4)CC[C@@H]3C2)n1 ZINC001164770105 721186324 /nfs/dbraw/zinc/18/63/24/721186324.db2.gz NBUMZPRWDPOHDQ-KGLIPLIRSA-N 1 0 378.933 2.544 20 0 GFADRO CCc1nc2sccc2c(N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)n1 ZINC001164763402 721226900 /nfs/dbraw/zinc/22/69/00/721226900.db2.gz FTTRWQLKSBZCGL-JKSUJKDBSA-N 1 0 382.537 2.946 20 0 GFADRO C[C@H]1c2ncc(COCC3CC3)n2CCN1c1cccc(N2CC[NH+](C)CC2)n1 ZINC001164876225 721242214 /nfs/dbraw/zinc/24/22/14/721242214.db2.gz YSCLSNJZRPHXRU-KRWDZBQOSA-N 1 0 396.539 2.538 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4nc5c(nc4Cl)CCCC5)C[C@@H]3C2)cn1 ZINC001164766570 721243865 /nfs/dbraw/zinc/24/38/65/721243865.db2.gz UWMFMSUGFJYPJE-HOTGVXAUSA-N 1 0 386.931 2.701 20 0 GFADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3OCCN(c4cnccn4)[C@H]3C2)nc1 ZINC001164763738 721266158 /nfs/dbraw/zinc/26/61/58/721266158.db2.gz FWUPNDVQDZYMAA-AABGKKOBSA-N 1 0 394.523 2.513 20 0 GFADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3ncnc4cc[nH]c43)C2)C1 ZINC001164778415 721333137 /nfs/dbraw/zinc/33/31/37/721333137.db2.gz VXIQCQPCKTUINF-NRFANRHFSA-N 1 0 396.495 2.682 20 0 GFADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4cnc5ccc(F)cc5n4)C3)O2)CC1 ZINC001164886505 721404913 /nfs/dbraw/zinc/40/49/13/721404913.db2.gz JHGDMAYQXOBRTE-GCJKJVERSA-N 1 0 399.514 2.534 20 0 GFADRO O=C1NC2(C[C@@H]1c1ccncc1)CCN(c1ccc(C[NH+]3CCCC3)cn1)CC2 ZINC001164899461 721504737 /nfs/dbraw/zinc/50/47/37/721504737.db2.gz YQLOYLKZDSUVTQ-HXUWFJFHSA-N 1 0 391.519 2.715 20 0 GFADRO Fc1cccc(O[C@@H]2C[C@H]3CN(c4nccc(N5CCCC5)n4)CC[N@@H+]3C2)c1 ZINC001164897285 721507642 /nfs/dbraw/zinc/50/76/42/721507642.db2.gz FOOXMNDRQONIRE-PKOBYXMFSA-N 1 0 383.471 2.558 20 0 GFADRO Cc1cnc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)nc1N1CCCC1 ZINC001164900298 721507905 /nfs/dbraw/zinc/50/79/05/721507905.db2.gz PXQDVLSACTZDQQ-QUCCMNQESA-N 1 0 397.498 2.866 20 0 GFADRO CN(C)c1nc(Cl)cc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)n1 ZINC001164897770 721509709 /nfs/dbraw/zinc/50/97/09/721509709.db2.gz GNHQDIXIISPSBI-GOEBONIOSA-N 1 0 391.878 2.677 20 0 GFADRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2nccc4cc(Cl)ccc42)CC3)CC1 ZINC001164794086 721511965 /nfs/dbraw/zinc/51/19/65/721511965.db2.gz FBHJSXLRPLGXTC-UHFFFAOYSA-N 1 0 396.926 2.852 20 0 GFADRO COc1cncc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)n1 ZINC001164904246 721692032 /nfs/dbraw/zinc/69/20/32/721692032.db2.gz DYOVNJHACYQLEF-SFHVURJKSA-N 1 0 375.423 2.618 20 0 GFADRO COCc1ccnc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)n1 ZINC001164903700 721701845 /nfs/dbraw/zinc/70/18/45/721701845.db2.gz BSSGRDIXWSIZMO-IBGZPJMESA-N 1 0 389.450 2.756 20 0 GFADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2ccc(-c3ccccc3)nn2)CC1 ZINC001165008457 721732569 /nfs/dbraw/zinc/73/25/69/721732569.db2.gz OSUHAMZTPCNQON-UHFFFAOYSA-N 1 0 379.508 2.667 20 0 GFADRO CSc1cc(Cl)cnc1N1CCCC12CC[NH+](CC(=O)N(C)C)CC2 ZINC001165011478 721743417 /nfs/dbraw/zinc/74/34/17/721743417.db2.gz XTOKZDVAOYOLJB-UHFFFAOYSA-N 1 0 382.961 2.980 20 0 GFADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc(C(N)=O)c(Cl)cn3)C[C@@H]21 ZINC001165027188 721802712 /nfs/dbraw/zinc/80/27/12/721802712.db2.gz UDMRONLNYAJXDE-DKSSEZFCSA-N 1 0 399.926 2.966 20 0 GFADRO c1cncc(O[C@H]2CO[C@@]3(CCN(c4ncccc4C[NH+]4CCCC4)C3)C2)c1 ZINC001164914586 721807783 /nfs/dbraw/zinc/80/77/83/721807783.db2.gz DIQQDDFYAXVULC-IRLDBZIGSA-N 1 0 380.492 2.889 20 0 GFADRO COC(=O)Cc1cccc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)n1 ZINC001165025568 721810282 /nfs/dbraw/zinc/81/02/82/721810282.db2.gz NTYWJFTXOJGXAN-DZFGPLHGSA-N 1 0 394.519 2.929 20 0 GFADRO Cc1cnc2n1CCN(C)C21CCN(C(F)(F)Oc2cnc(Cl)cn2)CC1 ZINC001164918234 721821547 /nfs/dbraw/zinc/82/15/47/721821547.db2.gz DLOUROBPQFTOCJ-UHFFFAOYSA-N 1 0 398.845 2.501 20 0 GFADRO CCOC(=O)c1cc(N2CC[C@H]3[C@H]2CC[N@@H+]3CCN(C)C)nc2ccccc21 ZINC001164931801 721862244 /nfs/dbraw/zinc/86/22/44/721862244.db2.gz WFOZRMVKCUBIMU-VQTJNVASSA-N 1 0 382.508 2.626 20 0 GFADRO CN(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCN2c1cc(-c2nc(C(C)(C)C)no2)ccn1 ZINC001164920869 721875311 /nfs/dbraw/zinc/87/53/11/721875311.db2.gz BHNXGYSUCZATCI-IRXDYDNUSA-N 1 0 384.528 2.644 20 0 GFADRO Cc1ccc(-c2nc3c(ncnc3N3CC[NH+](C[C@@H]4CCCO4)CC3)o2)cc1 ZINC001165040215 721919326 /nfs/dbraw/zinc/91/93/26/721919326.db2.gz ZUZGXYLNAXUTBC-KRWDZBQOSA-N 1 0 379.464 2.894 20 0 GFADRO COc1ncc(F)c(N2CCC3(CC2)C[N@H+](Cc2ccc(C)cc2)CCO3)n1 ZINC001164939715 721925308 /nfs/dbraw/zinc/92/53/08/721925308.db2.gz LRRGAYAIJIZQAI-UHFFFAOYSA-N 1 0 386.471 2.804 20 0 GFADRO COCc1ccnc(N2CCC3(CC2)C[N@H+](Cc2ccc(C)cc2)CCO3)n1 ZINC001164938925 721925375 /nfs/dbraw/zinc/92/53/75/721925375.db2.gz BYKWZCZAWYWOSL-UHFFFAOYSA-N 1 0 382.508 2.803 20 0 GFADRO CN(CC1CC[NH+](C)CC1)c1ccc(-c2ccc(N3CCOCC3)cc2)nn1 ZINC001165043682 721938462 /nfs/dbraw/zinc/93/84/62/721938462.db2.gz AXCGSCICWAXPEN-UHFFFAOYSA-N 1 0 381.524 2.758 20 0 GFADRO NC(=O)c1cc2ccccc2c(N2CC[NH+](CCOc3ccccc3)CC2)n1 ZINC001165044026 721960278 /nfs/dbraw/zinc/96/02/78/721960278.db2.gz CPOQWICWBDSJDN-UHFFFAOYSA-N 1 0 376.460 2.535 20 0 GFADRO COc1cnc2c(c1)ncnc2N1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001164955484 722020760 /nfs/dbraw/zinc/02/07/60/722020760.db2.gz IZTLQVPZNYRUIC-UHFFFAOYSA-N 1 0 390.491 2.921 20 0 GFADRO C[N@H+](Cc1ccc(N2CC[C@]3(C[C@@H]3C(=O)NCc3cccnc3)C2)nc1)C1CC1 ZINC001164959764 722035010 /nfs/dbraw/zinc/03/50/10/722035010.db2.gz RQRUGYAJNLRWBO-OFNKIYASSA-N 1 0 391.519 2.604 20 0 GFADRO CSc1cc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)ncn1 ZINC001164958789 722053527 /nfs/dbraw/zinc/05/35/27/722053527.db2.gz GIBCRLWRBRVHFI-UHFFFAOYSA-N 1 0 385.537 2.713 20 0 GFADRO Clc1nc2cc[nH]c2c(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164983403 722099110 /nfs/dbraw/zinc/09/91/10/722099110.db2.gz PYLYPLDPMJUSCB-NVXWUHKLSA-N 1 0 398.898 2.734 20 0 GFADRO Fc1cccc2c1ncnc2N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164973210 722112184 /nfs/dbraw/zinc/11/21/84/722112184.db2.gz GWGOKFOAVASBQN-PXNSSMCTSA-N 1 0 393.466 2.891 20 0 GFADRO c1ccc2nnc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)cc2c1 ZINC001164983641 722119721 /nfs/dbraw/zinc/11/97/21/722119721.db2.gz YTJMWWIXBCBYAN-FPOVZHCZSA-N 1 0 375.476 2.752 20 0 GFADRO Fc1ccc2cnnc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)c2c1 ZINC001164971459 722123463 /nfs/dbraw/zinc/12/34/63/722123463.db2.gz CMDBZJRRXHJVSH-RXVVDRJESA-N 1 0 393.466 2.891 20 0 GFADRO Fc1nc(F)c(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c(Cl)n1 ZINC001164975209 722137151 /nfs/dbraw/zinc/13/71/51/722137151.db2.gz FSPBWWPBFQOTMH-ZIAGYGMSSA-N 1 0 395.841 2.531 20 0 GFADRO CCc1cc(Cl)nc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164977217 722152867 /nfs/dbraw/zinc/15/28/67/722152867.db2.gz YGAIECARADJZDZ-FUHWJXTLSA-N 1 0 387.915 2.815 20 0 GFADRO COc1nc(Cl)nc(N2CCC[C@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)n1 ZINC001164995566 722196283 /nfs/dbraw/zinc/19/62/83/722196283.db2.gz VLVWIHPVCINWKK-SFHVURJKSA-N 1 0 377.851 2.918 20 0 GFADRO C[NH+](C)CCOCc1ncn2c1CN(c1nnc(Cl)c3ccoc31)CCC2 ZINC001165002275 722254907 /nfs/dbraw/zinc/25/49/07/722254907.db2.gz MVHIDGCTGNJDLW-UHFFFAOYSA-N 1 0 390.875 2.561 20 0 GFADRO CCc1nc(N2CCCn3cnc(COCC[NH+](C)C)c3C2)c(Cl)nc1C ZINC001165003385 722258241 /nfs/dbraw/zinc/25/82/41/722258241.db2.gz BESWZIOOZCSZGV-UHFFFAOYSA-N 1 0 392.935 2.686 20 0 GFADRO C[NH+](C)CCn1ccc(NC(=O)Cc2csc(CCC(F)(F)F)n2)n1 ZINC000630860892 531995616 /nfs/dbraw/zinc/99/56/16/531995616.db2.gz PEEOAVIAFTUJBS-UHFFFAOYSA-N 1 0 375.420 2.577 20 0 GFADRO [NH3+][C@H](C(=O)Nc1cc(-c2cc(F)cc(Br)c2)[nH]n1)C1CCOCC1 ZINC000517233543 532410425 /nfs/dbraw/zinc/41/04/25/532410425.db2.gz UXARQTQONQMKTR-HNNXBMFYSA-N 1 0 397.248 2.671 20 0 GFADRO O=C(Nc1ccn(-c2cc[nH+]cc2)n1)[C@H]1Cc2cc(Br)ccc2O1 ZINC000470931235 532539238 /nfs/dbraw/zinc/53/92/38/532539238.db2.gz JZCVZYWOKMKEBV-OAHLLOKOSA-N 1 0 385.221 2.972 20 0 GFADRO CC[N@@H+]1CCC[C@@H](CN(C)[C@@H](C)C(=O)N2CCCCCC2)[C@@H]1c1cnn(C)c1 ZINC000328631789 206235197 /nfs/dbraw/zinc/23/51/97/206235197.db2.gz KWXGCGNSFMNWAI-IRFCIJBXSA-N 1 0 389.588 2.916 20 0 GFADRO C[NH+](C)[C@]1(C(=O)NCc2cccc(CN3CCCC3=O)c2)CCc2ccccc21 ZINC000359902717 206269577 /nfs/dbraw/zinc/26/95/77/206269577.db2.gz DXAXFVKIURCOKA-XMMPIXPASA-N 1 0 391.515 2.829 20 0 GFADRO CC(C)CCSCC(=O)N1CCC(CC(=O)N2CCC([NH+](C)C)CC2)CC1 ZINC000359996134 206277078 /nfs/dbraw/zinc/27/70/78/206277078.db2.gz GBMOFIBOCHUFSJ-UHFFFAOYSA-N 1 0 397.629 2.947 20 0 GFADRO C[C@@H]1C[C@H](C)N(S(=O)(=O)c2ccc(Br)c(F)c2)C[C@H]1C[NH3+] ZINC000397263490 563531943 /nfs/dbraw/zinc/53/19/43/563531943.db2.gz IGFRSXKAUPSRIY-OUAUKWLOSA-N 1 0 379.295 2.582 20 0 GFADRO [NH3+]C[C@@H](NC(=O)c1cc(Cl)ccc1I)C(F)(F)F ZINC000401681683 563535552 /nfs/dbraw/zinc/53/55/52/563535552.db2.gz SFIZYVSIQFWOQO-MRVPVSSYSA-N 1 0 392.546 2.564 20 0 GFADRO CC(C)[N@@H+]1CCC[C@H](NS(=O)(=O)c2ccc(F)c(Br)c2)C1 ZINC000435442531 563651031 /nfs/dbraw/zinc/65/10/31/563651031.db2.gz IZONRZSPLAKQHF-NSHDSACASA-N 1 0 379.295 2.739 20 0 GFADRO OCC[C@H]1CCCC[N@@H+]1C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000438846945 563712317 /nfs/dbraw/zinc/71/23/17/563712317.db2.gz BIELGBGZYPWYBM-HUUCEWRRSA-N 1 0 376.266 2.565 20 0 GFADRO O=S(=O)(NCCC[NH+]1CCCC1)c1ccc(Br)cc1Cl ZINC000007728069 551101306 /nfs/dbraw/zinc/10/13/06/551101306.db2.gz BVHZSEDDADUPJK-UHFFFAOYSA-N 1 0 381.723 2.867 20 0 GFADRO O=C(NCCC[NH+]1CCN(c2ccccc2)CC1)c1cc(Br)c[nH]1 ZINC000031239947 551129169 /nfs/dbraw/zinc/12/91/69/551129169.db2.gz GKKLDSIDJUVVIL-UHFFFAOYSA-N 1 0 391.313 2.719 20 0 GFADRO C[C@H](NC(=O)c1cccs1)C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000032762328 551131786 /nfs/dbraw/zinc/13/17/86/551131786.db2.gz DXTNDSUUNDDLGN-KBPBESRZSA-N 1 0 377.535 2.881 20 0 GFADRO CCCC[NH+]1CCC(NS(=O)(=O)c2ccccc2Br)CC1 ZINC000040437750 551134251 /nfs/dbraw/zinc/13/42/51/551134251.db2.gz OXRUVFMPLIXZDZ-UHFFFAOYSA-N 1 0 375.332 2.992 20 0 GFADRO C[NH+](C)Cc1cccc(CNC(=O)C(=O)Nc2cccc(Br)c2)c1 ZINC000041860025 551136260 /nfs/dbraw/zinc/13/62/60/551136260.db2.gz GHZBCWVMPJCSJP-UHFFFAOYSA-N 1 0 390.281 2.766 20 0 GFADRO CC(C)[C@H](CNC(=O)c1csc(-c2cccs2)n1)N1CC[NH+](C)CC1 ZINC000042579966 551139766 /nfs/dbraw/zinc/13/97/66/551139766.db2.gz FABMWFUORPXQDJ-HNNXBMFYSA-N 1 0 378.567 2.873 20 0 GFADRO COc1cc(I)c(Cl)cc1C(=O)NC[C@H](C)[NH+](C)C ZINC000046271719 551150019 /nfs/dbraw/zinc/15/00/19/551150019.db2.gz OFWADWZTACSYDH-QMMMGPOBSA-N 1 0 396.656 2.633 20 0 GFADRO CCn1c(SCC(=O)N(C)C2CC[NH+](C)CC2)nnc1-c1cccs1 ZINC000046467888 551151101 /nfs/dbraw/zinc/15/11/01/551151101.db2.gz UCEOBDWMTGTMDD-UHFFFAOYSA-N 1 0 379.555 2.671 20 0 GFADRO C[C@@H]1C[NH+](CCCNC(=O)NCc2csc(Br)c2)C[C@@H](C)O1 ZINC000048458177 551156642 /nfs/dbraw/zinc/15/66/42/551156642.db2.gz BPDZWADQGLJGNC-VXGBXAGGSA-N 1 0 390.347 2.809 20 0 GFADRO CNC(=O)COc1cccc(C[NH2+]Cc2cc(Br)ccc2OC)c1 ZINC000048778577 551157585 /nfs/dbraw/zinc/15/75/85/551157585.db2.gz MWAIPAXYHQGVGL-UHFFFAOYSA-N 1 0 393.281 2.872 20 0 GFADRO CN(C)C(=O)C1CC[NH+](CCC(=O)Nc2ccc(Br)cc2)CC1 ZINC000051230150 551162694 /nfs/dbraw/zinc/16/26/94/551162694.db2.gz VVFJDBXUECHQHB-UHFFFAOYSA-N 1 0 382.302 2.578 20 0 GFADRO C[NH+](C)CCOc1cccc(CNC(=O)c2cncc(Br)c2)c1 ZINC000056890507 551178510 /nfs/dbraw/zinc/17/85/10/551178510.db2.gz IKLURPIQGWMVNJ-UHFFFAOYSA-N 1 0 378.270 2.715 20 0 GFADRO C[C@@H](C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1)[NH+]1CCC(C)CC1 ZINC000058271783 551182379 /nfs/dbraw/zinc/18/23/79/551182379.db2.gz GWHXKIKOIUADKR-ZDUSSCGKSA-N 1 0 387.933 2.649 20 0 GFADRO CC[NH+]1CCN(CCNC(=O)c2cc3cc(Br)cc(C)c3o2)CC1 ZINC000092332170 551194551 /nfs/dbraw/zinc/19/45/51/551194551.db2.gz XRTOMKREOJVWKB-UHFFFAOYSA-N 1 0 394.313 2.871 20 0 GFADRO COc1sc(CN2CC[C@H](C[NH+]3CCOCC3)C2)cc1Br ZINC000093664208 551195681 /nfs/dbraw/zinc/19/56/81/551195681.db2.gz UNKNIZHIUKNTCZ-GFCCVEGCSA-N 1 0 375.332 2.673 20 0 GFADRO CC(C)[C@@H](CNC(=O)NCc1ccc(Br)cc1)[NH+]1CCN(C)CC1 ZINC000106525399 551200004 /nfs/dbraw/zinc/20/00/04/551200004.db2.gz AKOAZWZKIQBVOA-QGZVFWFLSA-N 1 0 397.361 2.520 20 0 GFADRO CN(CC[NH+](C)C)S(=O)(=O)c1c(Cl)cc(Br)cc1Cl ZINC000107062801 551201652 /nfs/dbraw/zinc/20/16/52/551201652.db2.gz YARMMMQBNBBUDK-UHFFFAOYSA-N 1 0 390.130 2.938 20 0 GFADRO C[C@H](Cn1cc(Br)cn1)[NH2+]CCCCNC(=O)OC(C)(C)C ZINC000119668987 551218372 /nfs/dbraw/zinc/21/83/72/551218372.db2.gz RTWRGNXBEMREHN-GFCCVEGCSA-N 1 0 375.311 2.929 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)c1cn(-c2ccc(Br)cc2)cn1)C1CC1 ZINC000121104250 551227392 /nfs/dbraw/zinc/22/73/92/551227392.db2.gz PMNJVZMHHFMLOV-INIZCTEOSA-N 1 0 377.286 2.705 20 0 GFADRO C[C@@H]([NH2+]C[C@H](c1cccs1)N(C)C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000121130500 551227963 /nfs/dbraw/zinc/22/79/63/551227963.db2.gz UCMDGQSYRZKUHJ-RHSMWYFYSA-N 1 0 381.567 2.952 20 0 GFADRO COc1ccc(C[NH2+]CCNC(=O)c2ccc(Br)cc2)cc1O ZINC000121148533 551228206 /nfs/dbraw/zinc/22/82/06/551228206.db2.gz VYZKTVAUWTZHKQ-UHFFFAOYSA-N 1 0 379.254 2.683 20 0 GFADRO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)N1CCN(Cc2ccc(Cl)s2)CC1 ZINC000121152866 551228213 /nfs/dbraw/zinc/22/82/13/551228213.db2.gz PAADVEHTGDWHEK-CQSZACIVSA-N 1 0 382.961 2.713 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)C(=O)Nc1ccc(Br)cc1)c1ccccc1 ZINC000121154626 551228384 /nfs/dbraw/zinc/22/83/84/551228384.db2.gz WFMRSRKYEGGLAO-MRXNPFEDSA-N 1 0 390.281 2.807 20 0 GFADRO Cc1ccc(NC(=O)C(=O)NCC[NH+](C(C)C)C(C)C)cc1Br ZINC000121178145 551228575 /nfs/dbraw/zinc/22/85/75/551228575.db2.gz FYCYKTUIWQBIQT-UHFFFAOYSA-N 1 0 384.318 2.931 20 0 GFADRO O=S(=O)(C[C@H]1CCOC1)N(CC[NH+]1CCCC1)Cc1ccc(Cl)cc1 ZINC000121599561 551238182 /nfs/dbraw/zinc/23/81/82/551238182.db2.gz USIKJYWQYXHMPB-KRWDZBQOSA-N 1 0 386.945 2.604 20 0 GFADRO C[N@H+](CCCc1ccc(C(F)(F)F)cc1)C1CCN(S(C)(=O)=O)CC1 ZINC000121649556 551238848 /nfs/dbraw/zinc/23/88/48/551238848.db2.gz WEMCWQJJURMORO-UHFFFAOYSA-N 1 0 378.460 2.994 20 0 GFADRO C[C@@H](Cc1ccccc1Br)NC(=O)NCC1([NH+](C)C)CCOCC1 ZINC000121676381 551239095 /nfs/dbraw/zinc/23/90/95/551239095.db2.gz IBHPQVMSYLAKOL-AWEZNQCLSA-N 1 0 398.345 2.790 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)c1cnn(-c2cccc(Br)c2)c1 ZINC000121853012 551244262 /nfs/dbraw/zinc/24/42/62/551244262.db2.gz QBRZFKVBDLTRJN-BLLLJJGKSA-N 1 0 377.286 2.977 20 0 GFADRO CCC(CC)(C[NH3+])NC(=O)Nc1cc(OC)ccc1I ZINC000415072144 563757575 /nfs/dbraw/zinc/75/75/75/563757575.db2.gz LMXIRXTVNVDMFS-UHFFFAOYSA-N 1 0 391.253 2.939 20 0 GFADRO O=S(=O)(NCC[NH2+]Cc1cnn(-c2ccc(Cl)cc2)c1)c1cccs1 ZINC000122237329 551296125 /nfs/dbraw/zinc/29/61/25/551296125.db2.gz IWPDQTQZELYZST-UHFFFAOYSA-N 1 0 396.925 2.655 20 0 GFADRO CN1CCC([NH+]2CCC(NC(=O)Nc3cccnc3Br)CC2)CC1 ZINC000122244646 551296162 /nfs/dbraw/zinc/29/61/62/551296162.db2.gz FJGMBMNJGMEXMM-UHFFFAOYSA-N 1 0 396.333 2.524 20 0 GFADRO C[C@@H](NC(=O)[C@H]1CCC[NH2+]C1)c1nc(-c2ccc(Br)cc2)no1 ZINC000122561922 551300213 /nfs/dbraw/zinc/30/02/13/551300213.db2.gz SREDCAGYHIUAGQ-PWSUYJOCSA-N 1 0 379.258 2.676 20 0 GFADRO Cc1cc(S(=O)(=O)N2CCC(OCCC[NH+](C)C)CC2)c(Cl)cc1F ZINC000123264628 551304501 /nfs/dbraw/zinc/30/45/01/551304501.db2.gz LKDOQVLNNVMVIZ-UHFFFAOYSA-N 1 0 392.924 2.909 20 0 GFADRO C[C@@H]1C[N@@H+](CCCCNC(=O)COc2cccc(Br)c2)C[C@H](C)O1 ZINC000123590463 551307100 /nfs/dbraw/zinc/30/71/00/551307100.db2.gz ZVFOKMBNCGJOJU-GASCZTMLSA-N 1 0 399.329 2.834 20 0 GFADRO CCCN(C1CC[NH2+]CC1)S(=O)(=O)c1cc(C)c(Br)s1 ZINC000123631157 551307825 /nfs/dbraw/zinc/30/78/25/551307825.db2.gz VHCXSTCLJFIKHT-UHFFFAOYSA-N 1 0 381.361 2.972 20 0 GFADRO C[C@H](Cn1cc(Br)cn1)[NH2+][C@@H]1CCN(C(=O)C2CCCCC2)C1 ZINC000123850229 551308682 /nfs/dbraw/zinc/30/86/82/551308682.db2.gz BSBMDKYWZCPEBL-CZUORRHYSA-N 1 0 383.334 2.805 20 0 GFADRO C[C@@H]1CCC[C@@](CNC(=O)CCn2cc(Br)ccc2=O)([NH+](C)C)C1 ZINC000124489792 551315210 /nfs/dbraw/zinc/31/52/10/551315210.db2.gz SVOCDHIIBOKFLJ-RDTXWAMCSA-N 1 0 398.345 2.628 20 0 GFADRO CN(C(=O)c1cc(I)c(F)cc1F)[C@@H]1CCC[N@H+](C)C1 ZINC000124592197 551315586 /nfs/dbraw/zinc/31/55/86/551315586.db2.gz CZIUAJYKGQYMOC-SECBINFHSA-N 1 0 394.203 2.736 20 0 GFADRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)Cc1ccccc1I ZINC000124875039 551318405 /nfs/dbraw/zinc/31/84/05/551318405.db2.gz NPOLVFAFNGOZNW-DOMZBBRYSA-N 1 0 386.277 2.632 20 0 GFADRO COc1cc(Br)c(S(=O)(=O)N[C@H]2CCC[C@@H]([NH3+])C2)cc1Cl ZINC000124908693 551318938 /nfs/dbraw/zinc/31/89/38/551318938.db2.gz SLQNNCUFESEZAN-BDAKNGLRSA-N 1 0 397.722 2.659 20 0 GFADRO O=C1C[C@@H]([C@H]2CCCC[N@H+]2Cc2ccc(I)cc2)CN1 ZINC000125191971 551320264 /nfs/dbraw/zinc/32/02/64/551320264.db2.gz JUDWHJPFJCCJLM-UKRRQHHQSA-N 1 0 384.261 2.782 20 0 GFADRO C[N@H+](C[C@@H](O)COc1ccccc1)[C@@H](CO)c1cccc(Br)c1 ZINC000125671197 551322541 /nfs/dbraw/zinc/32/25/41/551322541.db2.gz WQGJIYIYGDMZIF-AEFFLSMTSA-N 1 0 380.282 2.854 20 0 GFADRO O=C(NCCN1CC[NH2+]CC1)c1ccc(-c2ccc(Br)cc2)s1 ZINC000125705359 551323329 /nfs/dbraw/zinc/32/33/29/551323329.db2.gz WBKQGICUMBMQFX-UHFFFAOYSA-N 1 0 394.338 2.813 20 0 GFADRO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@@H](C(N)=O)c1ccccc1 ZINC000125955679 551324805 /nfs/dbraw/zinc/32/48/05/551324805.db2.gz NVVLDKYHSLMFDJ-SJKOYZFVSA-N 1 0 390.281 2.982 20 0 GFADRO C[NH+](C)C[C@H]1CCN(C(=O)Nc2ccc(F)cc2I)C1 ZINC000127123353 551336867 /nfs/dbraw/zinc/33/68/67/551336867.db2.gz PCIPKNIJPJWPPW-SNVBAGLBSA-N 1 0 391.228 2.846 20 0 GFADRO COCCN(c1ccncc1)S(=O)(=O)c1cc(Br)ccc1C ZINC000127467041 551341088 /nfs/dbraw/zinc/34/10/88/551341088.db2.gz OFULAKSNPARRJH-UHFFFAOYSA-N 1 0 385.283 2.994 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)NCc2cc3c(c(Br)c2)OCO3)C[N@@H+]1C1CC1 ZINC000127453247 551341176 /nfs/dbraw/zinc/34/11/76/551341176.db2.gz KEVVYKVIBONMCK-ZYHUDNBSSA-N 1 0 396.285 2.602 20 0 GFADRO COc1cc(C[N@H+](C)C[C@H]2CCCO2)cc(I)c1OC ZINC000128097101 551346475 /nfs/dbraw/zinc/34/64/75/551346475.db2.gz UORDPWRSCFDXDW-GFCCVEGCSA-N 1 0 391.249 2.919 20 0 GFADRO Cc1ccc(-n2nc(Br)cc2C(=O)NC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000129339843 551356347 /nfs/dbraw/zinc/35/63/47/551356347.db2.gz KJBLATIMGZUNOQ-PBWFPOADSA-N 1 0 389.297 2.956 20 0 GFADRO CN(C(=O)c1cc(Br)c[nH]1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000129363476 551356496 /nfs/dbraw/zinc/35/64/96/551356496.db2.gz VUCOKLNPMCBPHQ-UHFFFAOYSA-N 1 0 391.313 2.951 20 0 GFADRO Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+]C1CCN(S(C)(=O)=O)CC1 ZINC000129736431 551359849 /nfs/dbraw/zinc/35/98/49/551359849.db2.gz PGZQFSOTPRNBEV-GFCCVEGCSA-N 1 0 380.539 2.588 20 0 GFADRO CN1CC[NH+](CCCCNC(=O)c2ccc(Br)c(Cl)c2)CC1 ZINC000130866414 551369683 /nfs/dbraw/zinc/36/96/83/551369683.db2.gz ZVSRHIZISJMUGU-UHFFFAOYSA-N 1 0 388.737 2.860 20 0 GFADRO OC[C@@H]1c2ccccc2CC[N@H+]1C[C@H](O)COc1ccc(Br)cc1 ZINC000130846141 551369917 /nfs/dbraw/zinc/36/99/17/551369917.db2.gz BDWRUYVVUJMSQY-QFBILLFUSA-N 1 0 392.293 2.781 20 0 GFADRO CC1CC[NH+](C[C@H](O)CNC(=O)c2ccc(Cl)cc2Br)CC1 ZINC000131297882 551373674 /nfs/dbraw/zinc/37/36/74/551373674.db2.gz QRDVEAVMKSMBJK-CYBMUJFWSA-N 1 0 389.721 2.925 20 0 GFADRO CC1CC[NH+](C[C@@H](O)CNC(=O)c2ccc(Cl)cc2Br)CC1 ZINC000131298107 551374072 /nfs/dbraw/zinc/37/40/72/551374072.db2.gz QRDVEAVMKSMBJK-ZDUSSCGKSA-N 1 0 389.721 2.925 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000133426611 551382710 /nfs/dbraw/zinc/38/27/10/551382710.db2.gz BKAOTMXRGTVXJO-LBPRGKRZSA-N 1 0 384.318 2.789 20 0 GFADRO O=S(=O)(Cc1ccon1)NCC[NH2+][C@@H]1CCc2c1cc(Cl)cc2Cl ZINC000134431276 551385200 /nfs/dbraw/zinc/38/52/00/551385200.db2.gz VLLGFIWPNUAMBF-OAHLLOKOSA-N 1 0 390.292 2.678 20 0 GFADRO Brc1cnc(CN2CC[C@H]3CC[C@@H](C2)[NH2+]3)c(Br)c1 ZINC000135331080 551387246 /nfs/dbraw/zinc/38/72/46/551387246.db2.gz BHLBVVLUBKVBIR-MNOVXSKESA-N 1 0 375.108 2.933 20 0 GFADRO Cc1cc(S(=O)(=O)NCCC[NH+]2CCCCC2)sc1Br ZINC000149849811 551399612 /nfs/dbraw/zinc/39/96/12/551399612.db2.gz NRNCWYREUYCSMJ-UHFFFAOYSA-N 1 0 381.361 2.973 20 0 GFADRO CSCC[C@@H]([NH3+])C(=O)N(C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000150947308 551404185 /nfs/dbraw/zinc/40/41/85/551404185.db2.gz ZBTLQMFILGHIDN-GFCCVEGCSA-N 1 0 397.850 2.836 20 0 GFADRO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)[C@@H](C)NC(=O)c1cccc(Cl)c1Cl ZINC000151271258 551410576 /nfs/dbraw/zinc/41/05/76/551410576.db2.gz JBDMPDOJIVUCCI-IUODEOHRSA-N 1 0 386.323 2.910 20 0 GFADRO C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CCCN1CCC(O)CC1 ZINC000151355353 551412095 /nfs/dbraw/zinc/41/20/95/551412095.db2.gz KUTQALFUKYUQKE-AWEZNQCLSA-N 1 0 398.345 2.603 20 0 GFADRO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NCc1ccc(O)c(Br)c1 ZINC000151560540 551416440 /nfs/dbraw/zinc/41/64/40/551416440.db2.gz NCSKCPDXOIQEFC-MRXNPFEDSA-N 1 0 385.302 2.564 20 0 GFADRO CC(C)(O)C[NH+]1CCN(C(=O)N[C@@H]2CCc3c2cccc3Br)CC1 ZINC000151610083 551417621 /nfs/dbraw/zinc/41/76/21/551417621.db2.gz YPDPDOIXVFOJDE-MRXNPFEDSA-N 1 0 396.329 2.535 20 0 GFADRO O=S(=O)(c1ccc(F)cc1C(F)(F)F)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000151600186 551417729 /nfs/dbraw/zinc/41/77/29/551417729.db2.gz BIOUTHSIUHGGNP-LBPRGKRZSA-N 1 0 380.407 2.951 20 0 GFADRO C[NH+](C)CC1CCC(NS(=O)(=O)c2ccccc2OC(F)(F)F)CC1 ZINC000151780700 551421107 /nfs/dbraw/zinc/42/11/07/551421107.db2.gz CSJVCRGDFCWVPH-UHFFFAOYSA-N 1 0 380.432 2.984 20 0 GFADRO C[NH+]1CCC(CCNC(=O)Cc2cccc(I)c2)CC1 ZINC000151987141 551424478 /nfs/dbraw/zinc/42/44/78/551424478.db2.gz NJPQRRARWFMPIQ-UHFFFAOYSA-N 1 0 386.277 2.682 20 0 GFADRO COc1ccsc1S(=O)(=O)NC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000152012434 551424812 /nfs/dbraw/zinc/42/48/12/551424812.db2.gz MNNVTAASZOLGQY-GOEBONIOSA-N 1 0 380.535 2.946 20 0 GFADRO CCNC(=O)N1CC[C@@H]([NH2+]Cc2nc(-c3ccc(Br)cc3)c[nH]2)C1 ZINC000152770257 551439487 /nfs/dbraw/zinc/43/94/87/551439487.db2.gz RPXUKVZCDRCVHG-CQSZACIVSA-N 1 0 392.301 2.733 20 0 GFADRO CCSCC[C@H](C)[NH2+][C@@H](C)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000152800744 551440289 /nfs/dbraw/zinc/44/02/89/551440289.db2.gz SMEQEMKZTMIRHB-HOTGVXAUSA-N 1 0 386.583 2.890 20 0 GFADRO C[C@H]([NH2+]CCOc1ccc(S(C)(=O)=O)cc1)c1ccc([S@@](C)=O)cc1 ZINC000153118965 551446870 /nfs/dbraw/zinc/44/68/70/551446870.db2.gz KNJJLMFDRCYKAK-BSEYFRJRSA-N 1 0 381.519 2.557 20 0 GFADRO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]C[C@H](C)CN1CCOCC1 ZINC000153308409 551449989 /nfs/dbraw/zinc/44/99/89/551449989.db2.gz RXSANJROWLXRKP-LSDHHAIUSA-N 1 0 398.345 2.724 20 0 GFADRO C[C@@H]([NH2+]C[C@H](C)CN1CCOCC1)c1ccc(I)cc1 ZINC000153310181 551450075 /nfs/dbraw/zinc/45/00/75/551450075.db2.gz PZTXFEYCWFJPNG-UONOGXRCSA-N 1 0 388.293 2.910 20 0 GFADRO CCOc1cc(Br)c(CC(=O)N2C[C@H](C)[NH2+][C@@H](C)C2)cc1OCC ZINC000153314660 551450110 /nfs/dbraw/zinc/45/01/10/551450110.db2.gz RJTHQJSNVPFKDZ-STQMWFEESA-N 1 0 399.329 2.998 20 0 GFADRO C[C@H](CNC(=O)c1cc(F)c(F)cc1I)[N@H+](C)C1CC1 ZINC000154103371 551467548 /nfs/dbraw/zinc/46/75/48/551467548.db2.gz GYMCPKKWRZMSPD-MRVPVSSYSA-N 1 0 394.203 2.782 20 0 GFADRO CC[NH+](CC)CCCNC(=O)C(=O)Nc1ccc(Cl)c(Br)c1 ZINC000154331265 551472634 /nfs/dbraw/zinc/47/26/34/551472634.db2.gz QQVPAXJGCXXBKP-UHFFFAOYSA-N 1 0 390.709 2.889 20 0 GFADRO C[C@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH2+]C[C@@H](O)CN(C)C ZINC000154345591 551472717 /nfs/dbraw/zinc/47/27/17/551472717.db2.gz JDYTUCUMVQKHLX-ZYHUDNBSSA-N 1 0 381.826 2.588 20 0 GFADRO CS[C@H](CO)[C@H](C)[NH2+][C@H](C)CC(=O)Nc1ccc(Br)cc1 ZINC000154344031 551472829 /nfs/dbraw/zinc/47/28/29/551472829.db2.gz KDFFOZINAFAAHG-UHIISALHSA-N 1 0 375.332 2.868 20 0 GFADRO OCCCOC1CC[NH+](C[C@@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000154920571 551485666 /nfs/dbraw/zinc/48/56/66/551485666.db2.gz CTSLAAOWIZUAHP-CQSZACIVSA-N 1 0 378.296 2.597 20 0 GFADRO CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(Cl)cc2Br)CC1 ZINC000155111559 551491680 /nfs/dbraw/zinc/49/16/80/551491680.db2.gz FOXZHIJKIRAOAO-UHFFFAOYSA-N 1 0 388.693 2.642 20 0 GFADRO O=C(NC[C@H](O)c1c(Cl)cccc1Cl)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC000155497070 551500816 /nfs/dbraw/zinc/50/08/16/551500816.db2.gz OGKOPHAXBWKYBM-HOTGVXAUSA-N 1 0 387.307 2.786 20 0 GFADRO C[C@@H]([NH2+]CCc1cccs1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000155618297 551504137 /nfs/dbraw/zinc/50/41/37/551504137.db2.gz WLQGGOKXPIYAKR-OAHLLOKOSA-N 1 0 380.535 2.662 20 0 GFADRO COc1cc(C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)cc(OC)c1Br ZINC000155611346 551504187 /nfs/dbraw/zinc/50/41/87/551504187.db2.gz WSBHXPWYFYULEU-AAEUAGOBSA-N 1 0 385.302 2.925 20 0 GFADRO CCS(=O)(=O)NCC[NH2+]Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000156192049 551517123 /nfs/dbraw/zinc/51/71/23/551517123.db2.gz MLLOMZAASLIULP-UHFFFAOYSA-N 1 0 378.338 2.753 20 0 GFADRO C[C@H]1C[C@H](N(C)C(=O)c2ccc(F)c(I)c2)CC[N@@H+]1C ZINC000156319640 551520092 /nfs/dbraw/zinc/52/00/92/551520092.db2.gz FVUULFIPVYUGMK-CMPLNLGQSA-N 1 0 390.240 2.985 20 0 GFADRO CSC[C@@](C)(O)CNC(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000156248748 551518342 /nfs/dbraw/zinc/51/83/42/551518342.db2.gz LXIPYQSGVMYRKS-WMZOPIPTSA-N 1 0 385.961 2.890 20 0 GFADRO CCC(CC)[C@@H](CNC(=O)Nc1cc(Br)c(=O)n(C)c1)[NH+](C)C ZINC000156274569 551518556 /nfs/dbraw/zinc/51/85/56/551518556.db2.gz GLSXRASGIWFVGL-CQSZACIVSA-N 1 0 387.322 2.636 20 0 GFADRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1ccc(F)c(I)c1 ZINC000156285784 551519273 /nfs/dbraw/zinc/51/92/73/551519273.db2.gz WZTAWXWQZLXJCD-HZMBPMFUSA-N 1 0 390.240 2.843 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)c2c(F)cccc2I)C1 ZINC000156589379 551525636 /nfs/dbraw/zinc/52/56/36/551525636.db2.gz AIRXJKWUMGSFTM-ZJUUUORDSA-N 1 0 376.213 2.630 20 0 GFADRO C[C@H]1CCCN(C(=O)c2cnn(-c3cccc(Br)c3)c2)[C@H]1C[NH3+] ZINC000156668800 551526695 /nfs/dbraw/zinc/52/66/95/551526695.db2.gz IHEXPGSUPVOUJT-LRDDRELGSA-N 1 0 377.286 2.834 20 0 GFADRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)Nc1cc(F)c(F)cc1I ZINC000415239023 563762954 /nfs/dbraw/zinc/76/29/54/563762954.db2.gz NNXFRPXEZNDUMK-RDDDGLTNSA-N 1 0 395.191 2.689 20 0 GFADRO CSc1nsc(NC(=O)N[C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)n1 ZINC000156774512 551528207 /nfs/dbraw/zinc/52/82/07/551528207.db2.gz NVFVIHWCOVCZEL-YPMHNXCESA-N 1 0 378.527 2.687 20 0 GFADRO COc1ccccc1COC[C@@H](O)C[N@H+](C)Cc1cc(Br)cn1C ZINC000156900469 551529906 /nfs/dbraw/zinc/52/99/06/551529906.db2.gz GJBXMWZVVHRHAH-KRWDZBQOSA-N 1 0 397.313 2.806 20 0 GFADRO C[NH+](C)CC1CCC(NC(=O)C(=O)Nc2cccc(Br)c2)CC1 ZINC000158135752 551547136 /nfs/dbraw/zinc/54/71/36/551547136.db2.gz DBHQCYGXPWYBFL-UHFFFAOYSA-N 1 0 382.302 2.624 20 0 GFADRO CC[N@@H+]1CCCN(CC(=O)Nc2c(F)cc(F)cc2Br)CC1 ZINC000158210316 551548413 /nfs/dbraw/zinc/54/84/13/551548413.db2.gz GKCNWENDTOXFND-UHFFFAOYSA-N 1 0 376.245 2.693 20 0 GFADRO CC(C)[N@H+]1C[C@H](NC(=O)NCc2cn3cc(Br)ccc3n2)[C@@H](C)C1 ZINC000158338937 551550569 /nfs/dbraw/zinc/55/05/69/551550569.db2.gz WPRGTUNUMKSATC-WFASDCNBSA-N 1 0 394.317 2.625 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C[NH+]1CCC(C(N)=O)CC1 ZINC000158582454 551553712 /nfs/dbraw/zinc/55/37/12/551553712.db2.gz HDZWLBIZEUAZAP-UHFFFAOYSA-N 1 0 377.286 2.641 20 0 GFADRO C[C@H](Sc1cc(Cl)ccc1Cl)C(=O)NCCCN1CC[NH2+]CC1 ZINC000158809636 551557481 /nfs/dbraw/zinc/55/74/81/551557481.db2.gz JAPHLTKNGPVJCD-LBPRGKRZSA-N 1 0 376.353 2.886 20 0 GFADRO NC(=O)[C@@H]([NH2+][C@@H]1CCCN(c2ccccn2)C1)c1ccc(Br)cc1 ZINC000159245377 551562304 /nfs/dbraw/zinc/56/23/04/551562304.db2.gz OYRVAIGKIQEGCR-WBVHZDCISA-N 1 0 389.297 2.629 20 0 GFADRO O=C(N[C@@H](c1cccc(F)c1)c1cccc(Br)c1)[C@H]1C[NH2+]CCO1 ZINC000161790981 551598291 /nfs/dbraw/zinc/59/82/91/551598291.db2.gz HGOJWSMTJKKBLP-IAGOWNOFSA-N 1 0 393.256 2.782 20 0 GFADRO C[C@H]([NH2+]CCNS(=O)(=O)Cc1ccon1)c1cc(Cl)ccc1Cl ZINC000162428437 551608639 /nfs/dbraw/zinc/60/86/39/551608639.db2.gz FSDWZJOOWPVPBL-JTQLQIEISA-N 1 0 378.281 2.752 20 0 GFADRO CC[C@@](C)(COc1ncccc1Cl)[NH2+]Cc1csc(CC(=O)NC)n1 ZINC000162503406 551609241 /nfs/dbraw/zinc/60/92/41/551609241.db2.gz ZTQLTUMBJSAWOW-KRWDZBQOSA-N 1 0 382.917 2.817 20 0 GFADRO Cc1ccc(C[NH+]2CCC(C(=O)N3CCOCC3)CC2)c(Br)c1 ZINC000162672580 551611599 /nfs/dbraw/zinc/61/15/99/551611599.db2.gz HBJKODZWVOTZNU-UHFFFAOYSA-N 1 0 381.314 2.828 20 0 GFADRO CC1CC[NH+](C[C@H](O)CNC(=O)c2cc(F)c(F)cc2Br)CC1 ZINC000162727225 551611910 /nfs/dbraw/zinc/61/19/10/551611910.db2.gz PJLLFYXXTDDNFL-LLVKDONJSA-N 1 0 391.256 2.550 20 0 GFADRO CC(C)CN(CC[NH+](C)C)C(=O)C(=O)Nc1nc(-c2cccs2)cs1 ZINC000162816080 551612917 /nfs/dbraw/zinc/61/29/17/551612917.db2.gz GCNCXVFEFCZGQC-UHFFFAOYSA-N 1 0 380.539 2.856 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CN(C(=O)C2(c3cccc(Br)c3)CCCC2)CCO1 ZINC000163063178 551615613 /nfs/dbraw/zinc/61/56/13/551615613.db2.gz JRZXNBUDGVHMAL-CZUORRHYSA-N 1 0 381.314 2.836 20 0 GFADRO C[C@@H]([NH2+]C[C@H]1CCN(CC(F)(F)F)C1)c1ccc(NS(C)(=O)=O)cc1 ZINC000163139743 551616998 /nfs/dbraw/zinc/61/69/98/551616998.db2.gz MJENWWNDBJSEOB-CHWSQXEVSA-N 1 0 379.448 2.593 20 0 GFADRO COC1CCN(CC[NH2+][C@@H](C)CC(=O)Nc2ccc(Br)cc2)CC1 ZINC000163727140 551621991 /nfs/dbraw/zinc/62/19/91/551621991.db2.gz GNJDNEQQQSMHCE-AWEZNQCLSA-N 1 0 398.345 2.867 20 0 GFADRO C[C@H](Cn1cc(Br)cn1)[NH2+][C@@H](CN1CCOCC1)c1ccccc1 ZINC000163709870 551622043 /nfs/dbraw/zinc/62/20/43/551622043.db2.gz ZEHBZUHKBDIZCH-QAPCUYQASA-N 1 0 393.329 2.697 20 0 GFADRO COCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](Cc2sccc2Br)C1 ZINC000166094405 551630677 /nfs/dbraw/zinc/63/06/77/551630677.db2.gz DICORUMPJPACRI-NEPJUHHUSA-N 1 0 375.332 2.874 20 0 GFADRO COc1ccc2c(c1)[C@@H]([NH2+]C1CCN(S(=O)(=O)C(F)(F)F)CC1)CC2 ZINC000168068549 551634283 /nfs/dbraw/zinc/63/42/83/551634283.db2.gz DCKPCUDJMQRTDQ-HNNXBMFYSA-N 1 0 378.416 2.586 20 0 GFADRO NC(=O)CC[C@H]1CCC[N@H+](C[C@@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000170734880 551638950 /nfs/dbraw/zinc/63/89/50/551638950.db2.gz YYECPIDHPHGYJI-CHWSQXEVSA-N 1 0 375.296 2.711 20 0 GFADRO Brc1cc2c(cc1CN1CC[NH+](CC3CCOCC3)CC1)OCO2 ZINC000172425312 551679063 /nfs/dbraw/zinc/67/90/63/551679063.db2.gz AADKPPJBOFDMSL-UHFFFAOYSA-N 1 0 397.313 2.722 20 0 GFADRO O=C(c1ccc(F)cc1Br)N1CC[NH+](CC2CCOCC2)CC1 ZINC000172461423 551679568 /nfs/dbraw/zinc/67/95/68/551679568.db2.gz DQMPBHFRTBXVPT-UHFFFAOYSA-N 1 0 385.277 2.773 20 0 GFADRO CN(C)c1ncc(Br)cc1C(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000172843867 551687759 /nfs/dbraw/zinc/68/77/59/551687759.db2.gz VNXHHCBDBPMXJG-CQSZACIVSA-N 1 0 383.334 2.857 20 0 GFADRO C[N@@H+]1CC[C@]2(CCN(C(=O)c3ccc(I)c(F)c3)C2)C1 ZINC000292052069 563772237 /nfs/dbraw/zinc/77/22/37/563772237.db2.gz ACWQVHJEIAAMBC-HNNXBMFYSA-N 1 0 388.224 2.598 20 0 GFADRO COc1cc(I)ccc1NC(=O)NC(C)(C)CCC[NH3+] ZINC000415773365 563795653 /nfs/dbraw/zinc/79/56/53/563795653.db2.gz MLPPTGYKRNKCEP-UHFFFAOYSA-N 1 0 391.253 2.939 20 0 GFADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cc(Br)cn3C(C)C)C2)CC1 ZINC000173109405 552078284 /nfs/dbraw/zinc/07/82/84/552078284.db2.gz WCBPJZIYGIOCPF-MRXNPFEDSA-N 1 0 397.361 2.684 20 0 GFADRO C[C@H](C(=O)N(C)CCCN1CC[NH+](C)CC1)c1ccc(Br)s1 ZINC000173295260 552082208 /nfs/dbraw/zinc/08/22/08/552082208.db2.gz QQFZUGUPFRWPNT-ZDUSSCGKSA-N 1 0 388.375 2.710 20 0 GFADRO CC[NH+]1CCC(CCNS(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000173513396 552086971 /nfs/dbraw/zinc/08/69/71/552086971.db2.gz OEXLZFVFCSZADZ-UHFFFAOYSA-N 1 0 375.332 2.849 20 0 GFADRO O=C(Nc1cccc(Br)c1)C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000173566970 552088194 /nfs/dbraw/zinc/08/81/94/552088194.db2.gz DOGXTNZAJPNWGW-INIZCTEOSA-N 1 0 394.313 2.768 20 0 GFADRO CC(C)C1CC[NH+](CC(=O)NCC(=O)Nc2ccccc2Br)CC1 ZINC000173587372 552088644 /nfs/dbraw/zinc/08/86/44/552088644.db2.gz HDTZLIISKIVJGO-UHFFFAOYSA-N 1 0 396.329 2.872 20 0 GFADRO Cc1ccc(Br)cc1C(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000173602751 552088742 /nfs/dbraw/zinc/08/87/42/552088742.db2.gz MDZDEAOTSLBAPB-QGZVFWFLSA-N 1 0 394.357 3.000 20 0 GFADRO CN(CC[C@@H]1CCCC[N@@H+]1C)S(=O)(=O)c1ccccc1Br ZINC000173669062 552091055 /nfs/dbraw/zinc/09/10/55/552091055.db2.gz DZKHZDGNIHOADP-ZDUSSCGKSA-N 1 0 375.332 2.944 20 0 GFADRO CCC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2sccc2Br)C1 ZINC000173951744 552095869 /nfs/dbraw/zinc/09/58/69/552095869.db2.gz KARRUBMFDHPJOJ-NSHDSACASA-N 1 0 381.361 2.863 20 0 GFADRO O[C@@H](COc1ccc(Cl)cc1Cl)C[N@@H+]1CCC[C@@H]1CN1CCOCC1 ZINC000174022834 552097162 /nfs/dbraw/zinc/09/71/62/552097162.db2.gz AZDFPEUUPKLUSV-HZPDHXFCSA-N 1 0 389.323 2.530 20 0 GFADRO CC[C@H](CO)[NH+]1CCN(Cc2ncc(-c3ccccc3Br)o2)CC1 ZINC000174131053 552100139 /nfs/dbraw/zinc/10/01/39/552100139.db2.gz CCKZEIVWGXJNQA-CQSZACIVSA-N 1 0 394.313 2.993 20 0 GFADRO CC[NH+](CC)C[C@H]1CCN(C[C@H](O)COc2ccc(Br)cc2)C1 ZINC000174213529 552102458 /nfs/dbraw/zinc/10/24/58/552102458.db2.gz JZGZCPIISCCYOW-WBVHZDCISA-N 1 0 385.346 2.853 20 0 GFADRO C[N@@H+]1CCC[C@H]1CNC(=O)NCCOc1ncc(C(F)(F)F)cc1Cl ZINC000174354950 552102906 /nfs/dbraw/zinc/10/29/06/552102906.db2.gz MVBXGBZNIFSWQL-NSHDSACASA-N 1 0 380.798 2.526 20 0 GFADRO C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000174469844 552105206 /nfs/dbraw/zinc/10/52/06/552105206.db2.gz MAKJFFISIURZFV-PBHICJAKSA-N 1 0 380.330 2.749 20 0 GFADRO CC(C)OC[C@@H](O)C[NH+]1CCN([C@@H](C)c2ccc(Br)cc2)CC1 ZINC000174793676 552110545 /nfs/dbraw/zinc/11/05/45/552110545.db2.gz FPHKQMFHLCFKOU-YJBOKZPZSA-N 1 0 385.346 2.914 20 0 GFADRO C[NH+](C)[C@H]1CCC[C@H](NS(=O)(=O)c2ccc(F)c(Br)c2)C1 ZINC000175080165 552115176 /nfs/dbraw/zinc/11/51/76/552115176.db2.gz MMHZLGQSRACJNP-QWRGUYRKSA-N 1 0 379.295 2.739 20 0 GFADRO COc1ccc(Br)cc1S(=O)(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000175086312 552115463 /nfs/dbraw/zinc/11/54/63/552115463.db2.gz QKMUXVPNPIWJAM-CHWSQXEVSA-N 1 0 391.331 2.609 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@@H](NS(=O)(=O)c2ccc(Br)c(F)c2)C1 ZINC000175090556 552115802 /nfs/dbraw/zinc/11/58/02/552115802.db2.gz KCCVFEITMMIFIX-GHMZBOCLSA-N 1 0 379.295 2.739 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)NCC(=O)Nc2cc(Cl)ccc2Cl)C[N@@H+]1C1CC1 ZINC000175586088 552125381 /nfs/dbraw/zinc/12/53/81/552125381.db2.gz WGCCKSHTAFUZQE-ZYHUDNBSSA-N 1 0 385.295 2.856 20 0 GFADRO CC(C)n1cc(Br)cc1C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000175855321 552130429 /nfs/dbraw/zinc/13/04/29/552130429.db2.gz JYTLXMVDNQJUGG-UHFFFAOYSA-N 1 0 384.318 2.768 20 0 GFADRO CC(C)(C)[NH+]1CCC(NC(=O)C(=O)Nc2ccccc2Br)CC1 ZINC000175947839 552132869 /nfs/dbraw/zinc/13/28/69/552132869.db2.gz AVHYMSVOHLIIFI-UHFFFAOYSA-N 1 0 382.302 2.767 20 0 GFADRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)C(=O)Nc2c(F)cccc2Br)C1 ZINC000176094475 552135452 /nfs/dbraw/zinc/13/54/52/552135452.db2.gz XKEVOUXLORHJKO-QWRGUYRKSA-N 1 0 386.265 2.516 20 0 GFADRO C[N@@H+](Cc1ccc(OC(F)(F)F)cc1)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000176628389 552142607 /nfs/dbraw/zinc/14/26/07/552142607.db2.gz UNOMOVMEHDTHHQ-AWEZNQCLSA-N 1 0 380.432 2.689 20 0 GFADRO CN(C)CC[NH+]1CCC(CNC(=O)c2c(F)cccc2Br)CC1 ZINC000176669322 552143717 /nfs/dbraw/zinc/14/37/17/552143717.db2.gz CISBLADLJWNYHQ-UHFFFAOYSA-N 1 0 386.309 2.592 20 0 GFADRO O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)c1c(F)cccc1Br ZINC000176786905 552145484 /nfs/dbraw/zinc/14/54/84/552145484.db2.gz GQECPNJGLVCVIA-LBPRGKRZSA-N 1 0 385.277 2.819 20 0 GFADRO COc1cccc([C@H](CNc2ncc(Br)c(OC)n2)[NH+](C)C)c1 ZINC000176813391 552146239 /nfs/dbraw/zinc/14/62/39/552146239.db2.gz BMVBYRVCMQFVHS-AWEZNQCLSA-N 1 0 381.274 2.971 20 0 GFADRO C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)[C@@H]3CSCCS3)cc2)C[C@H](C)O1 ZINC000176978509 552148099 /nfs/dbraw/zinc/14/80/99/552148099.db2.gz VIXVXGDHPSWRHV-DAYGRLMNSA-N 1 0 380.579 2.761 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)c2cc(=O)[nH]c3c(Br)cccc23)C[N@@H+]1C1CC1 ZINC000177223422 552151640 /nfs/dbraw/zinc/15/16/40/552151640.db2.gz DIOCTZMSPFYHFX-GHMZBOCLSA-N 1 0 390.281 2.646 20 0 GFADRO C[C@@H]([NH2+]Cc1ccc([S@@](C)=O)cc1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000177605738 552155867 /nfs/dbraw/zinc/15/58/67/552155867.db2.gz BNWMZGCUHJXAEZ-JBEBIEQOSA-N 1 0 380.535 2.525 20 0 GFADRO O=C(Nc1cc(Br)c[nH]c1=O)C1(c2ccccc2)CC[NH2+]CC1 ZINC000178727829 552174480 /nfs/dbraw/zinc/17/44/80/552174480.db2.gz SOOMNMHKIXGSHD-UHFFFAOYSA-N 1 0 376.254 2.810 20 0 GFADRO Cc1nn(-c2ccc(C(=O)NC[C@H]3CCC[NH2+]3)cc2)c(C)c1Br ZINC000178778221 552175046 /nfs/dbraw/zinc/17/50/46/552175046.db2.gz CBWYJXPABATLCN-CQSZACIVSA-N 1 0 377.286 2.733 20 0 GFADRO C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)[C@@H]2CCC[NH2+]C2)CC1 ZINC000178821644 552176469 /nfs/dbraw/zinc/17/64/69/552176469.db2.gz KRFOJKFTGLMXIE-GDBMZVCRSA-N 1 0 380.330 2.654 20 0 GFADRO O=C(CCN1CC[NH+](C[C@@H]2CCOC2)CC1)Nc1c(Cl)cccc1Cl ZINC000178831733 552176744 /nfs/dbraw/zinc/17/67/44/552176744.db2.gz WNPRUTCYROSIRI-AWEZNQCLSA-N 1 0 386.323 2.976 20 0 GFADRO CN(C(=O)CCCCc1ccc(I)cc1)[C@H]1CC[NH2+]C1 ZINC000179114077 552184446 /nfs/dbraw/zinc/18/44/46/552184446.db2.gz MIZUZXIXLKWPGZ-HNNXBMFYSA-N 1 0 386.277 2.824 20 0 GFADRO CN(C(=O)Cc1csc(-c2cccc(Br)c2)n1)[C@@H]1CC[NH2+]C1 ZINC000179111405 552184448 /nfs/dbraw/zinc/18/44/48/552184448.db2.gz CDSGZWCROUBOQI-CQSZACIVSA-N 1 0 380.311 2.935 20 0 GFADRO C[C@H](Cc1ccc(Br)cc1)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000179257717 552188289 /nfs/dbraw/zinc/18/82/89/552188289.db2.gz AVFUWHHSBWYLDC-NVXWUHKLSA-N 1 0 395.341 2.808 20 0 GFADRO CCC[C@@H]1CN(C(=O)c2cc(Br)cn2CC)CC[N@@H+]1CCOC ZINC000179321318 552190040 /nfs/dbraw/zinc/19/00/40/552190040.db2.gz ZOLQPBCIUNCWMG-OAHLLOKOSA-N 1 0 386.334 2.843 20 0 GFADRO CC[C@@H](CO)[NH+]1CCN(C(=O)C[C@H](C)c2ccc(Br)cc2)CC1 ZINC000179403004 552192341 /nfs/dbraw/zinc/19/23/41/552192341.db2.gz LPXNDOLZOXBJPF-YOEHRIQHSA-N 1 0 383.330 2.858 20 0 GFADRO C[NH+](C)C[C@@](C)(O)CNC(=O)NCCSCc1ccc(Cl)cc1Cl ZINC000179884612 552205949 /nfs/dbraw/zinc/20/59/49/552205949.db2.gz RJGQZBLDVRUMRL-INIZCTEOSA-N 1 0 394.368 2.838 20 0 GFADRO COCCOC[C@@H]1CC[N@H+](Cc2cc(Br)c3c(c2)OCCO3)C1 ZINC000180009247 552209542 /nfs/dbraw/zinc/20/95/42/552209542.db2.gz CVZRAHPJVJWBCS-CYBMUJFWSA-N 1 0 386.286 2.705 20 0 GFADRO C[C@@H](O)C[N@@H+]1CCN(C(=O)Nc2ccc(Cl)c(OC(F)F)c2)C[C@@H]1C ZINC000180128293 552214474 /nfs/dbraw/zinc/21/44/74/552214474.db2.gz JCGWHHAPGMHUGS-WDEREUQCSA-N 1 0 377.819 2.860 20 0 GFADRO CC(C)[NH2+]C1CCN(C(=O)C(=O)Nc2c(F)cccc2Br)CC1 ZINC000180361485 552224225 /nfs/dbraw/zinc/22/42/25/552224225.db2.gz GUWKRVMJEMZUHM-UHFFFAOYSA-N 1 0 386.265 2.516 20 0 GFADRO CC(C)NS(=O)(=O)CC[NH2+][C@H]1CCCOc2ccc(Br)cc21 ZINC000180465842 552226854 /nfs/dbraw/zinc/22/68/54/552226854.db2.gz SLLOIKHEEUENIX-AWEZNQCLSA-N 1 0 391.331 2.580 20 0 GFADRO CC(C)NS(=O)(=O)CC[NH2+][C@H]1CCCOc2c(Br)cccc21 ZINC000180464425 552226795 /nfs/dbraw/zinc/22/67/95/552226795.db2.gz IMUAKXNTPHZSRG-AWEZNQCLSA-N 1 0 391.331 2.580 20 0 GFADRO CC(C)NS(=O)(=O)CC[NH2+][C@@H]1CCCOc2cc(Br)ccc21 ZINC000180467660 552226804 /nfs/dbraw/zinc/22/68/04/552226804.db2.gz TZSYNOWLHIMCBO-CQSZACIVSA-N 1 0 391.331 2.580 20 0 GFADRO COc1ccc(Br)c(C(=O)NCCC[NH2+][C@@H](C)c2c[nH]nc2C)c1 ZINC000180510668 552228435 /nfs/dbraw/zinc/22/84/35/552228435.db2.gz PAELBRPYDGEWSA-NSHDSACASA-N 1 0 395.301 2.960 20 0 GFADRO NC(=O)NC(=O)OCCC[N@H+](Cc1csc(Br)c1)C1CC1 ZINC000180664179 552232813 /nfs/dbraw/zinc/23/28/13/552232813.db2.gz IOSQNLFRUVORMR-UHFFFAOYSA-N 1 0 376.276 2.670 20 0 GFADRO C[N@H+](Cc1ccc(Cl)c(Br)c1)C1CCN(S(C)(=O)=O)CC1 ZINC000180722609 552233948 /nfs/dbraw/zinc/23/39/48/552233948.db2.gz UPAJNUZECNBCFR-UHFFFAOYSA-N 1 0 395.750 2.958 20 0 GFADRO CCS(=O)(=O)C[C@@H](C)[NH2+][C@@H](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000180823929 552236718 /nfs/dbraw/zinc/23/67/18/552236718.db2.gz ZTWIFNWYMUMPEF-NWDGAFQWSA-N 1 0 380.432 2.835 20 0 GFADRO C[C@@H](CN1CCOCC1)[NH+]1CCN(CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000181170081 552249232 /nfs/dbraw/zinc/24/92/32/552249232.db2.gz YJSBKYWBLGGYFH-INIZCTEOSA-N 1 0 386.367 2.874 20 0 GFADRO COCc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1cc(Br)ccc1F)CC2 ZINC000181296198 552252204 /nfs/dbraw/zinc/25/22/04/552252204.db2.gz LWRNQNVGXNPBEC-JQWIXIFHSA-N 1 0 383.265 2.992 20 0 GFADRO CCN1CC[NH+](CCCCNC(=O)Nc2ccc(Br)nc2C)CC1 ZINC000181319625 552252778 /nfs/dbraw/zinc/25/27/78/552252778.db2.gz NPUNWGLZFGIJOQ-UHFFFAOYSA-N 1 0 398.349 2.692 20 0 GFADRO C[C@@H]([NH2+]CC(=O)Nc1ccccc1I)c1cccnc1 ZINC000181372413 552254526 /nfs/dbraw/zinc/25/45/26/552254526.db2.gz CLOUMYDYDIEJOR-LLVKDONJSA-N 1 0 381.217 2.976 20 0 GFADRO C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]C[C@H]1CCCS1(=O)=O ZINC000181378018 552254574 /nfs/dbraw/zinc/25/45/74/552254574.db2.gz RULARFWWEYKCNH-VXGBXAGGSA-N 1 0 378.416 2.589 20 0 GFADRO Cc1n[nH]c(C)c1NC(=O)C[NH2+]C(C)(C)COc1ncccc1Br ZINC000181517183 552259613 /nfs/dbraw/zinc/25/96/13/552259613.db2.gz ZGOYHNJVCXQXCT-UHFFFAOYSA-N 1 0 396.289 2.570 20 0 GFADRO COc1cc(Br)ccc1CCC[NH+]1CCC(N2CCNC2=O)CC1 ZINC000181564266 552261321 /nfs/dbraw/zinc/26/13/21/552261321.db2.gz VHKTWABDPLDCNP-UHFFFAOYSA-N 1 0 396.329 2.880 20 0 GFADRO C[C@@H]([NH2+]C[C@H](O)CS(=O)(=O)c1cccs1)c1cc(F)c(F)c(F)c1 ZINC000181640633 552263344 /nfs/dbraw/zinc/26/33/44/552263344.db2.gz CMEDHIJQVOHXCQ-KOLCDFICSA-N 1 0 379.425 2.651 20 0 GFADRO C[NH+](C)C1(CNS(=O)(=O)Cc2ccc(Cl)cc2Cl)CCOCC1 ZINC000181644451 552264151 /nfs/dbraw/zinc/26/41/51/552264151.db2.gz OGDFSILGVIZMLH-UHFFFAOYSA-N 1 0 381.325 2.524 20 0 GFADRO C[C@H]([NH2+]CC1CCS(=O)(=O)CC1)c1ccc(I)cc1 ZINC000181761744 552267243 /nfs/dbraw/zinc/26/72/43/552267243.db2.gz VZGKCEMALXJFSA-NSHDSACASA-N 1 0 393.290 2.767 20 0 GFADRO CS(=O)(=O)C[C@H](NCC(=O)Nc1ccc(F)c(Cl)c1)c1ccccc1 ZINC000181769799 552267506 /nfs/dbraw/zinc/26/75/06/552267506.db2.gz RQSBRRQNPBZWHC-INIZCTEOSA-N 1 0 384.860 2.793 20 0 GFADRO Cc1c(Cl)cccc1NC(=O)CN[C@@H](CS(C)(=O)=O)c1ccccc1 ZINC000181792894 552267641 /nfs/dbraw/zinc/26/76/41/552267641.db2.gz KWGIDRJTGBBHMK-KRWDZBQOSA-N 1 0 380.897 2.962 20 0 GFADRO CCO[C@@H]1C[C@H]([NH2+]C2CCN(S(=O)(=O)C(F)(F)F)CC2)C12CCCC2 ZINC000181884451 552269780 /nfs/dbraw/zinc/26/97/80/552269780.db2.gz KAFRIMUVMKFCLE-UONOGXRCSA-N 1 0 384.464 2.628 20 0 GFADRO CCN1CC[NH+](C[C@H](C)CNC(=O)Cc2ccc(Br)cc2C)CC1 ZINC000181882676 552269858 /nfs/dbraw/zinc/26/98/58/552269858.db2.gz GCZLVZWCZRVOLZ-OAHLLOKOSA-N 1 0 396.373 2.690 20 0 GFADRO CN(CC[NH2+]Cc1c(C2CC2)nc2sccn12)S(=O)(=O)c1cccs1 ZINC000181924960 552270916 /nfs/dbraw/zinc/27/09/16/552270916.db2.gz SDIYUAUNYSSNSV-UHFFFAOYSA-N 1 0 396.563 2.745 20 0 GFADRO CC[C@H]([NH2+]C[C@H]1CCN(S(C)(=O)=O)C1)c1cc(F)cc(Br)c1 ZINC000182067457 552274678 /nfs/dbraw/zinc/27/46/78/552274678.db2.gz NMQUKRYBKSEZNA-ABAIWWIYSA-N 1 0 393.322 2.910 20 0 GFADRO C[C@@H]([NH2+]CC(=O)Nc1ccc(Br)cn1)c1ccc2c(c1)OCO2 ZINC000182271446 552280425 /nfs/dbraw/zinc/28/04/25/552280425.db2.gz UPEYZDUNLOUYHR-SNVBAGLBSA-N 1 0 378.226 2.862 20 0 GFADRO COc1cc(C[NH2+]CCCCCCO)cc(I)c1OC ZINC000182693392 552290768 /nfs/dbraw/zinc/29/07/68/552290768.db2.gz FXTASBUQIZGCRT-UHFFFAOYSA-N 1 0 393.265 2.951 20 0 GFADRO CN(CC[C@H]1CCCC[N@@H+]1C)S(=O)(=O)c1ccc(OCC(F)F)cc1 ZINC000182708110 552291166 /nfs/dbraw/zinc/29/11/66/552291166.db2.gz WSGXKCZLXMARFX-CQSZACIVSA-N 1 0 376.469 2.825 20 0 GFADRO CC[C@H]([NH2+]Cc1cc(C(=O)OC)sc1C)c1cccc(S(N)(=O)=O)c1 ZINC000183032016 552298745 /nfs/dbraw/zinc/29/87/45/552298745.db2.gz XCRUUKHJPBVQFK-HNNXBMFYSA-N 1 0 382.507 2.731 20 0 GFADRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(I)cc1)[C@@H]1CCCO1 ZINC000183096607 552300510 /nfs/dbraw/zinc/30/05/10/552300510.db2.gz AWIOOYVSNJTYAI-SUNKGSAMSA-N 1 0 388.249 2.775 20 0 GFADRO C[C@H](CCNC(=O)c1cc(I)c[nH]1)[NH+]1CCCCC1 ZINC000183126090 552300831 /nfs/dbraw/zinc/30/08/31/552300831.db2.gz LTGWPQRWMBDMII-LLVKDONJSA-N 1 0 375.254 2.614 20 0 GFADRO COc1cc(/C=C/C(=O)N(C)C2CC[NH+](C)CC2)cc(Br)c1O ZINC000183290004 552305003 /nfs/dbraw/zinc/30/50/03/552305003.db2.gz NULZLPBWJCRGQU-SNAWJCMRSA-N 1 0 383.286 2.729 20 0 GFADRO CS(=O)(=O)[C@@H]1CCCC[C@@H]1[NH2+]CCc1nc(-c2cccc(Cl)c2)no1 ZINC000183278582 552305188 /nfs/dbraw/zinc/30/51/88/552305188.db2.gz OZVKTSDYWGJWRE-LSDHHAIUSA-N 1 0 383.901 2.878 20 0 GFADRO C[C@@H](CCNS(=O)(=O)c1ccccc1Br)[NH+]1CCCCC1 ZINC000183292134 552305213 /nfs/dbraw/zinc/30/52/13/552305213.db2.gz DONSJQAZSHJXGH-ZDUSSCGKSA-N 1 0 375.332 2.992 20 0 GFADRO C[C@@H]([NH2+][C@H]1CCN(c2ccc(Cl)cc2)C1)c1ccc(S(N)(=O)=O)cc1 ZINC000183337222 552305993 /nfs/dbraw/zinc/30/59/93/552305993.db2.gz OTZQCSNWLUKNLX-CJNGLKHVSA-N 1 0 379.913 2.917 20 0 GFADRO C[C@@H](CNC(=O)c1ncc(Br)cc1Br)[N@H+](C)C1CC1 ZINC000183522348 552311947 /nfs/dbraw/zinc/31/19/47/552311947.db2.gz NPRTUFNCQUZTFV-QMMMGPOBSA-N 1 0 391.107 2.819 20 0 GFADRO CC[C@H](CO)[NH+]1CCN([C@H](C(=O)OC)c2cccc(Cl)c2Cl)CC1 ZINC000183597373 552314029 /nfs/dbraw/zinc/31/40/29/552314029.db2.gz IHKLAOZFSKKHJI-WBMJQRKESA-N 1 0 375.296 2.596 20 0 GFADRO COC(=O)[C@@H](c1cccc(Cl)c1Cl)N(C)CCC[NH+]1CCN(C)CC1 ZINC000183610905 552314526 /nfs/dbraw/zinc/31/45/26/552314526.db2.gz XQYMLTHZZQITJV-QGZVFWFLSA-N 1 0 388.339 2.777 20 0 GFADRO C[C@@H](CCNC(=O)Nc1cc(Br)c(=O)n(C)c1)[NH+]1CCCCC1 ZINC000183890541 552321894 /nfs/dbraw/zinc/32/18/94/552321894.db2.gz OBAZZHZZBIXUOU-LBPRGKRZSA-N 1 0 385.306 2.534 20 0 GFADRO OC[C@H]([NH2+]C[C@@H](O)COCc1cccs1)c1cccc(Br)c1 ZINC000183910843 552322770 /nfs/dbraw/zinc/32/27/70/552322770.db2.gz YKWODXKTGMBFQD-ZBFHGGJFSA-N 1 0 386.311 2.711 20 0 GFADRO CC[N@H+](CCO)CCNC(=O)c1cc(Br)cc(C(F)(F)F)c1 ZINC000184006108 552325144 /nfs/dbraw/zinc/32/51/44/552325144.db2.gz PMYKTQMOFODBJX-UHFFFAOYSA-N 1 0 383.208 2.512 20 0 GFADRO COC(=O)c1sc2ccccc2c1S(=O)(=O)NCC(C)(C)C[NH+](C)C ZINC000184094802 552327637 /nfs/dbraw/zinc/32/76/37/552327637.db2.gz AZIQNLKNSWPBRH-UHFFFAOYSA-N 1 0 384.523 2.554 20 0 GFADRO COc1ccc(Br)cc1CC(=O)N(CC[NH3+])Cc1ccccc1 ZINC000184185586 552329297 /nfs/dbraw/zinc/32/92/97/552329297.db2.gz DSRVEFFXTCLRPE-UHFFFAOYSA-N 1 0 377.282 2.988 20 0 GFADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)c1cc(Cl)ccc1OC(F)F ZINC000184317822 552332728 /nfs/dbraw/zinc/33/27/28/552332728.db2.gz LSKCMMDFCFAHJB-GFCCVEGCSA-N 1 0 375.847 2.697 20 0 GFADRO C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)N[C@@H](C)CC[NH+]1CCN(C)CC1 ZINC000184376089 552333971 /nfs/dbraw/zinc/33/39/71/552333971.db2.gz BMRIMQWHDMLAIX-UONOGXRCSA-N 1 0 388.339 2.903 20 0 GFADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)[C@H]1C[C@@H]1c1cccc(Br)c1 ZINC000184393088 552334501 /nfs/dbraw/zinc/33/45/01/552334501.db2.gz HUIFDPZCYMSXFK-OLMNPRSZSA-N 1 0 394.357 2.695 20 0 GFADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)[C@@H](C)Oc1ccc(Cl)c(Cl)c1 ZINC000184406456 552335059 /nfs/dbraw/zinc/33/50/59/552335059.db2.gz MJVGMZPZASLOBI-ZIAGYGMSSA-N 1 0 388.339 2.903 20 0 GFADRO C[C@@H]1OCC[C@@H]1S(=O)(=O)N(CC[NH+]1CCCC1)Cc1ccc(Cl)cc1 ZINC000184463201 552335706 /nfs/dbraw/zinc/33/57/06/552335706.db2.gz YLOVYCLMRYXVAA-YJBOKZPZSA-N 1 0 386.945 2.745 20 0 GFADRO C[C@@H]([NH2+]CCOc1ccc(S(N)(=O)=O)cc1)c1nc(C(C)(C)C)cs1 ZINC000184488259 552336389 /nfs/dbraw/zinc/33/63/89/552336389.db2.gz LQQCHAVDOZSVGV-GFCCVEGCSA-N 1 0 383.539 2.818 20 0 GFADRO C[C@@H]([NH2+]CC(=O)NCC(=O)Nc1ccccc1Br)C1CCCC1 ZINC000184654108 552341337 /nfs/dbraw/zinc/34/13/37/552341337.db2.gz ABQZXKBCXGIQNM-GFCCVEGCSA-N 1 0 382.302 2.672 20 0 GFADRO [NH3+][C@H]1CC[C@H]2CN(C(=O)CCC[S@](=O)c3ccc(Br)cc3)C[C@H]21 ZINC000184979698 552349973 /nfs/dbraw/zinc/34/99/73/552349973.db2.gz FFVNWNCTSDODSY-NEDVNLPGSA-N 1 0 399.354 2.533 20 0 GFADRO C[N@@H+]1CC[C@H]2[C@H](CCCN2S(=O)(=O)c2ccc(Br)cc2F)C1 ZINC000185282170 552359917 /nfs/dbraw/zinc/35/99/17/552359917.db2.gz SVULVUJGMZQSBA-RISCZKNCSA-N 1 0 391.306 2.693 20 0 GFADRO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]C[C@](C)(O)c2cccc(Cl)c2)c1 ZINC000185314901 552361040 /nfs/dbraw/zinc/36/10/40/552361040.db2.gz BLWXHQCGZFKBEX-ACJLOTCBSA-N 1 0 382.913 2.806 20 0 GFADRO CN(CC[N@H+](C)C1CC1)C(=O)N[C@@H]1CCN(c2ccccc2Br)C1 ZINC000185380084 552362260 /nfs/dbraw/zinc/36/22/60/552362260.db2.gz YJNWHZSCPZQWAY-CQSZACIVSA-N 1 0 395.345 2.763 20 0 GFADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)NCCSc1ccc(Cl)cc1 ZINC000185453575 552363635 /nfs/dbraw/zinc/36/36/35/552363635.db2.gz UVQKEUZASGKAFW-OAHLLOKOSA-N 1 0 384.977 2.757 20 0 GFADRO C[C@H](C[NH+]1CCCCCC1)NC(=O)c1cncc(I)c1 ZINC000186278448 552383969 /nfs/dbraw/zinc/38/39/69/552383969.db2.gz FWTDONNIYLHJDN-GFCCVEGCSA-N 1 0 387.265 2.681 20 0 GFADRO COCc1c(Br)cccc1NC(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000186587911 552391770 /nfs/dbraw/zinc/39/17/70/552391770.db2.gz JLOGNVDLMPEEIQ-UHFFFAOYSA-N 1 0 396.289 2.998 20 0 GFADRO CN(CC[N@H+](C)C1CC1)C(=O)c1ccn(-c2cccc(Br)c2)n1 ZINC000186795217 552398484 /nfs/dbraw/zinc/39/84/84/552398484.db2.gz CPGHEQLRGHHDOO-UHFFFAOYSA-N 1 0 377.286 2.801 20 0 GFADRO CNC(=O)[C@H](C)C[N@H+](C)Cc1cc(Br)cc(Br)c1N ZINC000186849172 552399678 /nfs/dbraw/zinc/39/96/78/552399678.db2.gz UDLCJONXFCOKLB-MRVPVSSYSA-N 1 0 393.123 2.608 20 0 GFADRO COc1cc(Br)ccc1CNC(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000187048565 552405435 /nfs/dbraw/zinc/40/54/35/552405435.db2.gz PEXYTRUWNYVRMT-LBPRGKRZSA-N 1 0 382.302 2.741 20 0 GFADRO COc1cnccc1[C@@H](C)[NH2+]C[C@@H](O)COc1cccc(Br)c1 ZINC000187079466 552406113 /nfs/dbraw/zinc/40/61/13/552406113.db2.gz HUTIPZRMAPKSAM-TZMCWYRMSA-N 1 0 381.270 2.943 20 0 GFADRO CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]CC1(C(=O)N(C)C)CCCC1 ZINC000187238130 552410103 /nfs/dbraw/zinc/41/01/03/552410103.db2.gz RBARKHGYVPBITD-UHFFFAOYSA-N 1 0 386.945 2.872 20 0 GFADRO C[C@@H](Nc1ccc(CC[NH+]2CCSCC2)cc1)C1CCS(=O)(=O)CC1 ZINC000187511971 552417852 /nfs/dbraw/zinc/41/78/52/552417852.db2.gz ONWQXFPSKKAODS-MRXNPFEDSA-N 1 0 382.595 2.903 20 0 GFADRO COCCC[NH+]1CCC(NC(=O)Cc2ccc(C)c(Br)c2)CC1 ZINC000187694533 552422245 /nfs/dbraw/zinc/42/22/45/552422245.db2.gz KINYTBCNQSUVJY-UHFFFAOYSA-N 1 0 383.330 2.917 20 0 GFADRO CC[NH+](CC)CCn1c(=O)c2ccccc2nc1SC[C@@H](O)CSC ZINC000187761544 552423767 /nfs/dbraw/zinc/42/37/67/552423767.db2.gz FPDWEVIKHGCFIK-AWEZNQCLSA-N 1 0 381.567 2.554 20 0 GFADRO Cc1ccc(CC(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)cc1Br ZINC000187787612 552424273 /nfs/dbraw/zinc/42/42/73/552424273.db2.gz XBKVFYHPRRCQHE-INIZCTEOSA-N 1 0 383.330 2.869 20 0 GFADRO C[N@H+](C[C@@H](O)COc1ccc(Cl)cc1Br)C[C@@H]1CCCO1 ZINC000187810064 552424953 /nfs/dbraw/zinc/42/49/53/552424953.db2.gz WMZAHIUNASFCKM-OLZOCXBDSA-N 1 0 378.694 2.953 20 0 GFADRO COC[C@@H]([NH2+]C[C@@H](O)COc1cccc(Cl)c1Cl)C1CCOCC1 ZINC000187838660 552426116 /nfs/dbraw/zinc/42/61/16/552426116.db2.gz QNNRINMNFHAXFO-UKRRQHHQSA-N 1 0 378.296 2.764 20 0 GFADRO COc1cc(Br)ccc1CNC(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000187852042 552426397 /nfs/dbraw/zinc/42/63/97/552426397.db2.gz ZVZIXANTKWBERY-CYBMUJFWSA-N 1 0 384.318 2.941 20 0 GFADRO Cc1cc(Br)cc(NC(=O)C(=O)N[C@@H](C)C[NH+]2CCCCC2)c1 ZINC000188058722 552432908 /nfs/dbraw/zinc/43/29/08/552432908.db2.gz HUMRRIMQZBVWGG-ZDUSSCGKSA-N 1 0 382.302 2.687 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)NCC(C)(C)C[NH+](C)C)cc1Br ZINC000188098331 552434670 /nfs/dbraw/zinc/43/46/70/552434670.db2.gz ZVCKUHKYYIOALJ-UHFFFAOYSA-N 1 0 384.318 2.708 20 0 GFADRO O=S(=O)(CCO)c1ccc(C[NH2+][C@@H]2CSCCc3ccccc32)cc1 ZINC000189163457 552465263 /nfs/dbraw/zinc/46/52/63/552465263.db2.gz UTKYWICVUIMPRO-LJQANCHMSA-N 1 0 377.531 2.573 20 0 GFADRO C[C@@H]1C[N@@H+](CCCCNC(=O)c2ncc(Br)s2)C[C@H](C)O1 ZINC000189234579 552466339 /nfs/dbraw/zinc/46/63/39/552466339.db2.gz YWDLWANNURNPMB-PHIMTYICSA-N 1 0 376.320 2.525 20 0 GFADRO CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+]C[C@H](O)CC(F)(F)F)cc1 ZINC000189343002 552469076 /nfs/dbraw/zinc/46/90/76/552469076.db2.gz CRNDMQCEVWHDNW-TZMCWYRMSA-N 1 0 382.448 2.681 20 0 GFADRO CC[N@H+](C[C@H](O)COc1c(Cl)cccc1Cl)C[C@H](O)C(F)(F)F ZINC000189504965 552473815 /nfs/dbraw/zinc/47/38/15/552473815.db2.gz HEYAUDZQMSYNRV-CABZTGNLSA-N 1 0 376.202 2.978 20 0 GFADRO O=C(CN1CC[NH+](CC[C@H]2CCCO2)CC1)Nc1ccc(Br)cc1 ZINC000189568800 552474841 /nfs/dbraw/zinc/47/48/41/552474841.db2.gz KSUNSAFUOWSOCE-QGZVFWFLSA-N 1 0 396.329 2.574 20 0 GFADRO COc1cc(OC)c(NC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cc1Br ZINC000189622547 552476323 /nfs/dbraw/zinc/47/63/23/552476323.db2.gz LTMSJIGRKQLWNX-LLVKDONJSA-N 1 0 384.274 2.778 20 0 GFADRO CCN(CCC[NH+](C)C)C(=O)C(=O)Nc1cc(Br)c(C)cc1C ZINC000189817233 552480486 /nfs/dbraw/zinc/48/04/86/552480486.db2.gz UHNRCDQKXFJAJZ-UHFFFAOYSA-N 1 0 384.318 2.805 20 0 GFADRO COc1cc(Br)ccc1[C@@H](C)[NH2+][C@@H](C)C(=O)NC(=O)NC(C)C ZINC000189977598 552484507 /nfs/dbraw/zinc/48/45/07/552484507.db2.gz QIXIFRPNUJJVDZ-MNOVXSKESA-N 1 0 386.290 2.731 20 0 GFADRO Cc1cc(F)c(Br)cc1S(=O)(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000190007205 552485019 /nfs/dbraw/zinc/48/50/19/552485019.db2.gz PHPWQOBYKVUMSC-SMDDNHRTSA-N 1 0 393.322 2.857 20 0 GFADRO Cc1csc(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)c1I ZINC000190201536 552490355 /nfs/dbraw/zinc/49/03/55/552490355.db2.gz FPBCKXCNNVGTHU-JTQLQIEISA-N 1 0 390.290 2.875 20 0 GFADRO CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2cc(Cl)c(F)c(Cl)c2)C1 ZINC000190408265 552495440 /nfs/dbraw/zinc/49/54/40/552495440.db2.gz PWPVNJAYMRHOJG-SNVBAGLBSA-N 1 0 376.259 2.919 20 0 GFADRO Cc1cc(NC(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)cc(C)c1Br ZINC000190442983 552496427 /nfs/dbraw/zinc/49/64/27/552496427.db2.gz QZTRGJPWBBAPBF-OAHLLOKOSA-N 1 0 394.313 2.701 20 0 GFADRO CS(=O)(=O)N1CCC([NH2+][C@H](c2ccc(Br)s2)C2CC2)CC1 ZINC000190579340 552501902 /nfs/dbraw/zinc/50/19/02/552501902.db2.gz QJIGEGIXCGCYJX-AWEZNQCLSA-N 1 0 393.372 2.975 20 0 GFADRO Cc1cc(NC(=O)C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)cc(C)c1Br ZINC000190605249 552502986 /nfs/dbraw/zinc/50/29/86/552502986.db2.gz UWZJOINLLLZXPW-UKRRQHHQSA-N 1 0 396.329 2.993 20 0 GFADRO CCN(CCC[NH+](CC)CC)C(=O)C(=O)Nc1ccc(Br)cc1 ZINC000190657506 552504963 /nfs/dbraw/zinc/50/49/63/552504963.db2.gz KWHIHKFCDQTVKD-UHFFFAOYSA-N 1 0 384.318 2.968 20 0 GFADRO CCN(CCC[NH+]1CCCC1)C(=O)C(=O)Nc1ccc(Br)cc1 ZINC000190688767 552506058 /nfs/dbraw/zinc/50/60/58/552506058.db2.gz YNTALHVQQQYKDP-UHFFFAOYSA-N 1 0 382.302 2.722 20 0 GFADRO CC(C)OCCC(=O)Nc1ccc(CN2CC[NH+](C)CC2)c(Br)c1 ZINC000191084410 552517877 /nfs/dbraw/zinc/51/78/77/552517877.db2.gz ULGBIFYAEPNDOJ-UHFFFAOYSA-N 1 0 398.345 2.950 20 0 GFADRO C[NH+](C)[C@@H]1CCCN(C(=O)c2nc(Br)ccc2Br)C1 ZINC000191103268 552518795 /nfs/dbraw/zinc/51/87/95/552518795.db2.gz VUPZUJMWZJTKHS-SECBINFHSA-N 1 0 391.107 2.773 20 0 GFADRO COc1ccc(Br)c(NC(=O)Nc2ccn(CC[NH+](C)C)n2)c1 ZINC000191359230 552526163 /nfs/dbraw/zinc/52/61/63/552526163.db2.gz JZHNUCPXXZCIRR-UHFFFAOYSA-N 1 0 382.262 2.860 20 0 GFADRO CCS(=O)(=O)CC[NH2+][C@@H](c1cccc(Br)c1)C1CCOCC1 ZINC000191508845 552530376 /nfs/dbraw/zinc/53/03/76/552530376.db2.gz JBWGJUNTGWYVHK-MRXNPFEDSA-N 1 0 390.343 2.941 20 0 GFADRO CN(C)C(=O)[C@@H]1CC[C@H](C[NH2+]Cc2cc(Br)c(Cl)s2)O1 ZINC000191554197 552531185 /nfs/dbraw/zinc/53/11/85/552531185.db2.gz ZPZJQPGUBRFJOW-KCJUWKMLSA-N 1 0 381.723 2.889 20 0 GFADRO CC[NH+](CC)CCCN1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000191780830 552537850 /nfs/dbraw/zinc/53/78/50/552537850.db2.gz GCUNEOVLTVSXSG-UHFFFAOYSA-N 1 0 382.346 2.939 20 0 GFADRO NC(=O)CCn1c(SCCC[NH+]2CCCCC2)nnc1-c1cccs1 ZINC000191819277 552539545 /nfs/dbraw/zinc/53/95/45/552539545.db2.gz LYPQURONSMZAIF-UHFFFAOYSA-N 1 0 379.555 2.850 20 0 GFADRO CC[NH+](CC)CCCNC(=O)C(=O)Nc1cc(Cl)c(Cl)cc1OC ZINC000191863821 552540449 /nfs/dbraw/zinc/54/04/49/552540449.db2.gz UXLIODQVDRICHA-UHFFFAOYSA-N 1 0 376.284 2.789 20 0 GFADRO CO[C@@H]1C[NH2+][C@@H](C(=O)Nc2cc(-c3cc(Br)ccc3Cl)[nH]n2)C1 ZINC000191917756 552542520 /nfs/dbraw/zinc/54/25/20/552542520.db2.gz DTQNJJYSNBPIOA-TVQRCGJNSA-N 1 0 399.676 2.808 20 0 GFADRO CC[C@H](CO)[NH+]1CCN([C@@H](C(=O)OC)c2ccc(Cl)c(Cl)c2)CC1 ZINC000192046197 552547405 /nfs/dbraw/zinc/54/74/05/552547405.db2.gz GHORKEQPRAEGQH-CZUORRHYSA-N 1 0 375.296 2.596 20 0 GFADRO COC(=O)[C@H](c1ccc(Cl)c(Cl)c1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000192059870 552548515 /nfs/dbraw/zinc/54/85/15/552548515.db2.gz UJZFUHNNBZPTCJ-GUYCJALGSA-N 1 0 387.307 2.862 20 0 GFADRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)c2cc(Br)nn2C)CC1 ZINC000192186947 552555351 /nfs/dbraw/zinc/55/53/51/552555351.db2.gz VHRCDWWANKSXKB-LBPRGKRZSA-N 1 0 392.301 2.533 20 0 GFADRO C[C@@H](C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1)N(C)CC(F)(F)F ZINC000192197489 552555645 /nfs/dbraw/zinc/55/56/45/552555645.db2.gz DTEYWMMCEAOBKC-UONOGXRCSA-N 1 0 377.476 2.959 20 0 GFADRO C[C@H]1CN(C(=O)Nc2cc(Cl)c(N)c(Cl)c2)CC[N@@H+]1CC(C)(C)O ZINC000192314556 552559537 /nfs/dbraw/zinc/55/95/37/552559537.db2.gz OWDCPAJYYSGHAW-JTQLQIEISA-N 1 0 375.300 2.885 20 0 GFADRO CCCNC(=O)CN1CCC([NH2+]Cc2c(F)cccc2Br)CC1 ZINC000192470856 552565148 /nfs/dbraw/zinc/56/51/48/552565148.db2.gz ZEBURHZVDHDGDF-UHFFFAOYSA-N 1 0 386.309 2.668 20 0 GFADRO Cc1c[nH+]ccc1N1CCN(C(=O)COc2ccc(Br)cc2)CC1 ZINC000192589963 552567349 /nfs/dbraw/zinc/56/73/49/552567349.db2.gz ZNWGHRBGYLQWHC-UHFFFAOYSA-N 1 0 390.281 2.880 20 0 GFADRO CSC[C@@H](O)C[NH2+]C1(Cc2ccc(F)cc2Br)CCOCC1 ZINC000293576196 563818910 /nfs/dbraw/zinc/81/89/10/563818910.db2.gz NJALKUBZNFJOBJ-AWEZNQCLSA-N 1 0 392.334 2.993 20 0 GFADRO COc1cc(Cl)c(S(=O)(=O)NCCC[NH+]2CCCCC2)cc1OC ZINC000192799832 552973848 /nfs/dbraw/zinc/97/38/48/552973848.db2.gz LYQYWMJAZCVPQO-UHFFFAOYSA-N 1 0 376.906 2.512 20 0 GFADRO C[C@H](NC(=O)CCc1c[nH]cn1)c1cc2c(cc1Br)OCCO2 ZINC000192803818 552974073 /nfs/dbraw/zinc/97/40/73/552974073.db2.gz PEBUCIQNBFRSNF-JTQLQIEISA-N 1 0 380.242 2.753 20 0 GFADRO CC[NH+]1CCC(CCNS(=O)(=O)c2cc(OC)c(OC)cc2Cl)CC1 ZINC000192820572 552974420 /nfs/dbraw/zinc/97/44/20/552974420.db2.gz DIPMFTDARQACIU-UHFFFAOYSA-N 1 0 390.933 2.758 20 0 GFADRO CCC[N@H+](C)C[C@H]1CCN(S(=O)(=O)c2cc(OC)c(OC)cc2Cl)C1 ZINC000192821195 552975234 /nfs/dbraw/zinc/97/52/34/552975234.db2.gz GRVOHTKCRPEEQP-CYBMUJFWSA-N 1 0 390.933 2.710 20 0 GFADRO O=C(NCCC[NH+]1CCCCC1)C(=O)Nc1ccc(Br)cc1F ZINC000192843766 552975800 /nfs/dbraw/zinc/97/58/00/552975800.db2.gz PAQHMEZTGHXZMM-UHFFFAOYSA-N 1 0 386.265 2.519 20 0 GFADRO Cc1c(C(=O)NC2(C)CC[NH2+]CC2)cnn1-c1ccc(Br)cc1 ZINC000193354331 552991223 /nfs/dbraw/zinc/99/12/23/552991223.db2.gz GWMHBUYTBIMUQN-UHFFFAOYSA-N 1 0 377.286 2.815 20 0 GFADRO Cc1c(C(=O)NC2(C)CC[NH2+]CC2)cnn1-c1cccc(Br)c1 ZINC000193396911 552992369 /nfs/dbraw/zinc/99/23/69/552992369.db2.gz KQZSAZHQFGZZGZ-UHFFFAOYSA-N 1 0 377.286 2.815 20 0 GFADRO C[C@H]1CC[NH2+]C[C@H]1NS(=O)(=O)c1c(Cl)cc(F)cc1Br ZINC000193413479 552992809 /nfs/dbraw/zinc/99/28/09/552992809.db2.gz NZKKFAVREYMDHO-WRWORJQWSA-N 1 0 385.686 2.518 20 0 GFADRO C[C@H]1CCNC(=O)[C@@H]1[NH2+]Cc1ccnc(-c2ccc(Br)cc2)n1 ZINC000193586422 552997473 /nfs/dbraw/zinc/99/74/73/552997473.db2.gz TWAMXMQDBLWXST-XHDPSFHLSA-N 1 0 375.270 2.520 20 0 GFADRO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)c1nn(-c2ccc(F)cc2)cc1Br ZINC000193646099 552999230 /nfs/dbraw/zinc/99/92/30/552999230.db2.gz WGWMHGPIBLHBJH-IINYFYTJSA-N 1 0 381.249 2.644 20 0 GFADRO COC[C@H]([NH2+]C[C@@H](O)c1ccc(S(C)(=O)=O)cc1)c1ccc(Cl)cc1 ZINC000193668926 552999648 /nfs/dbraw/zinc/99/96/48/552999648.db2.gz IBMSQMVWXRLQFN-ZWKOTPCHSA-N 1 0 383.897 2.754 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+][C@H]1C(=O)NCC[C@@H]1C ZINC000193675030 552999887 /nfs/dbraw/zinc/99/98/87/552999887.db2.gz JAMVVJRWPUPTQY-MEDUHNTESA-N 1 0 377.286 2.557 20 0 GFADRO CC(C)CN(C1CC[NH+](C)CC1)S(=O)(=O)c1c(F)c(F)cc(F)c1F ZINC000193690852 553000481 /nfs/dbraw/zinc/00/04/81/553000481.db2.gz MDUUKZXZXREIID-UHFFFAOYSA-N 1 0 382.423 2.984 20 0 GFADRO O=C(NCc1ccccc1C[N@H+]1CCC[C@H]1CO)c1ccoc1Br ZINC000193897414 553005895 /nfs/dbraw/zinc/00/58/95/553005895.db2.gz BCTIXVZVOBUGKU-HNNXBMFYSA-N 1 0 393.281 2.929 20 0 GFADRO CC[NH+]1CCN(C[C@H](C)CNS(=O)(=O)c2cccc(Cl)c2Cl)CC1 ZINC000193901298 553006407 /nfs/dbraw/zinc/00/64/07/553006407.db2.gz YOGYEQUWHDJPHS-CYBMUJFWSA-N 1 0 394.368 2.545 20 0 GFADRO C[C@@H](O)C[N@@H+]1CCN(C(=O)Cc2cc(Cl)ccc2Br)[C@H](C)C1 ZINC000194025417 553009948 /nfs/dbraw/zinc/00/99/48/553009948.db2.gz DIIPYLJAZVRIJK-VXGBXAGGSA-N 1 0 389.721 2.559 20 0 GFADRO O=C(NCCOc1cccc(Br)c1)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000194118780 553012188 /nfs/dbraw/zinc/01/21/88/553012188.db2.gz ZFPRECJNFDGDQO-ZDUSSCGKSA-N 1 0 382.302 2.611 20 0 GFADRO Cc1c(Br)ccc(NC(=O)N[C@@H](C)CN2CC[NH+](C)CC2)c1F ZINC000194221069 553015028 /nfs/dbraw/zinc/01/50/28/553015028.db2.gz DRASGRLDBNUUGP-NSHDSACASA-N 1 0 387.297 2.654 20 0 GFADRO C[C@@H](CNC(=O)NCC(=O)Nc1cc(Cl)ccc1Cl)C[NH+]1CCCC1 ZINC000194246959 553015546 /nfs/dbraw/zinc/01/55/46/553015546.db2.gz BJUXEVSMJCTXPM-LBPRGKRZSA-N 1 0 387.311 2.963 20 0 GFADRO CCCN(CC[NH+](CC)CC)C(=O)C(=O)Nc1ccc(Br)c(C)n1 ZINC000194264235 553016036 /nfs/dbraw/zinc/01/60/36/553016036.db2.gz KNLJIAYLTKTYDG-UHFFFAOYSA-N 1 0 399.333 2.671 20 0 GFADRO O[C@H](COc1ccccc1Cl)CN1CCN(c2ccc(Cl)cn2)CC1 ZINC000194603229 553025206 /nfs/dbraw/zinc/02/52/06/553025206.db2.gz GMBIULUZSXHWJD-HNNXBMFYSA-N 1 0 382.291 2.950 20 0 GFADRO C[NH+]1CCN(c2ccc(CNC(=O)c3cc(Br)cs3)cn2)CC1 ZINC000195006462 553035707 /nfs/dbraw/zinc/03/57/07/553035707.db2.gz HXKZVKXYEYKUPQ-UHFFFAOYSA-N 1 0 395.326 2.587 20 0 GFADRO O=C(C[C@H]1Sc2ccc(Cl)cc2NC1=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000195073529 553037270 /nfs/dbraw/zinc/03/72/70/553037270.db2.gz ZLBKAQHAITZNMT-CZUORRHYSA-N 1 0 379.913 2.840 20 0 GFADRO COc1cc(I)c(Cl)cc1C(=O)N1CCC[C@H]([NH3+])C1 ZINC000195117730 553038750 /nfs/dbraw/zinc/03/87/50/553038750.db2.gz IDCRZSJPXMJIDK-QMMMGPOBSA-N 1 0 394.640 2.517 20 0 GFADRO CC(C)[C@H](CNC(=O)NCc1ccccc1Br)[NH+]1CCN(C)CC1 ZINC000195166731 553040383 /nfs/dbraw/zinc/04/03/83/553040383.db2.gz NSUQGUDOTFWIKT-KRWDZBQOSA-N 1 0 397.361 2.520 20 0 GFADRO CSCC[C@@H]([NH3+])C(=O)Nc1nc(-c2ccc(CNC(C)=O)s2)c(C)s1 ZINC000195246421 553042654 /nfs/dbraw/zinc/04/26/54/553042654.db2.gz LIPGQTAAFYCNCM-GFCCVEGCSA-N 1 0 398.579 2.835 20 0 GFADRO C[C@]([NH3+])(C(=O)NC[C@@H](O)COc1cccc(Cl)c1Cl)c1ccccc1 ZINC000195258385 553042980 /nfs/dbraw/zinc/04/29/80/553042980.db2.gz IXSJQLZHOGYART-FZKQIMNGSA-N 1 0 383.275 2.723 20 0 GFADRO Cc1c[nH+]ccc1N1CCN(S(=O)(=O)c2cccc(Br)c2)CC1 ZINC000195332657 553045691 /nfs/dbraw/zinc/04/56/91/553045691.db2.gz NIUSTSGBEDDADG-UHFFFAOYSA-N 1 0 396.310 2.663 20 0 GFADRO CCOC1CC(C[NH2+]Cc2ccc(Br)cc2)(N2CCOCC2)C1 ZINC000195460267 553049492 /nfs/dbraw/zinc/04/94/92/553049492.db2.gz PZDWUWFQBDQTIQ-UHFFFAOYSA-N 1 0 383.330 2.809 20 0 GFADRO Brc1cnc(CN2C[C@@H]3CCC[NH2+][C@@H]3C2)c(Br)c1 ZINC000221425779 553055272 /nfs/dbraw/zinc/05/52/72/553055272.db2.gz IIWVRCASYJINFA-JOYOIKCWSA-N 1 0 375.108 2.790 20 0 GFADRO CO[C@@H]1CCN(CCOc2ccc(Cl)cc2Br)[C@@H](C[NH3+])C1 ZINC000226419437 553061287 /nfs/dbraw/zinc/06/12/87/553061287.db2.gz GNXYSIHDHPGGNH-CHWSQXEVSA-N 1 0 377.710 2.919 20 0 GFADRO CC(C)(C[NH3+])NC(=O)c1cc(Br)ccc1I ZINC000226244527 553061526 /nfs/dbraw/zinc/06/15/26/553061526.db2.gz FGDHJNAPFULEIO-UHFFFAOYSA-N 1 0 397.054 2.521 20 0 GFADRO CC(C)(O)CN1CCN(C(=O)c2ccc(Cl)c(Br)c2)CC1 ZINC000229000594 553063659 /nfs/dbraw/zinc/06/36/59/553063659.db2.gz QFNQFEMXNYOFNF-UHFFFAOYSA-N 1 0 375.694 2.631 20 0 GFADRO O=C(Nc1ccc(CCn2cc(Br)cn2)cc1)[C@@H]1CCCC[NH2+]1 ZINC000236588689 553068975 /nfs/dbraw/zinc/06/89/75/553068975.db2.gz XCZYSLZUVGGFOX-INIZCTEOSA-N 1 0 377.286 2.969 20 0 GFADRO CCC(CC)(C[NH3+])C(=O)N(C)CC(=O)Nc1ccc(Br)cc1C ZINC000236632330 553069658 /nfs/dbraw/zinc/06/96/58/553069658.db2.gz VHZBDYFOLCPMNC-UHFFFAOYSA-N 1 0 384.318 2.920 20 0 GFADRO O=C(N[C@H]1CCN(c2ccc(Br)cc2)C1)[C@@H]1CC12CC[NH2+]CC2 ZINC000236611439 553069919 /nfs/dbraw/zinc/06/99/19/553069919.db2.gz GQRULGZRGSFGPE-HOCLYGCPSA-N 1 0 378.314 2.534 20 0 GFADRO O=C(Nc1cc(Br)ccc1N1CCOCC1)[C@H]1CC12CC[NH2+]CC2 ZINC000236607835 553069925 /nfs/dbraw/zinc/06/99/25/553069925.db2.gz DOWJXNYWJFTSGG-CQSZACIVSA-N 1 0 394.313 2.614 20 0 GFADRO CCC(CC)(C[NH3+])NC(=O)CCC[S@](=O)c1ccc(Br)cc1 ZINC000236736385 553071154 /nfs/dbraw/zinc/07/11/54/553071154.db2.gz OIQWYOGXNAOEBE-QFIPXVFZSA-N 1 0 389.359 2.971 20 0 GFADRO CCC([NH3+])(CC)CNC(=O)CCC[S@@](=O)c1ccc(Br)cc1 ZINC000236748576 553071229 /nfs/dbraw/zinc/07/12/29/553071229.db2.gz AIRKSRRWIMCLTG-JOCHJYFZSA-N 1 0 389.359 2.971 20 0 GFADRO CC(=O)N1CCC([NH2+]CCC(=O)Nc2ccc(Br)cc2C)CC1 ZINC000236835072 553072161 /nfs/dbraw/zinc/07/21/61/553072161.db2.gz TZJCMGWJIKBUMS-UHFFFAOYSA-N 1 0 382.302 2.687 20 0 GFADRO CCCN(C1CC[NH2+]CC1)S(=O)(=O)c1cc(Br)c(F)cc1F ZINC000236870579 553072233 /nfs/dbraw/zinc/07/22/33/553072233.db2.gz RWTJIFASPMOVTD-UHFFFAOYSA-N 1 0 397.285 2.880 20 0 GFADRO CCOc1cc(Br)c(CC(=O)N2CCC[C@H](C[NH3+])C2)cc1OCC ZINC000236878761 553073107 /nfs/dbraw/zinc/07/31/07/553073107.db2.gz METUQLJZUGXTTO-CYBMUJFWSA-N 1 0 399.329 2.986 20 0 GFADRO CCc1nc(C(=O)NC[C@@H]2CCC[NH2+]C2)nn1-c1c(Cl)cccc1Cl ZINC000237026635 553073526 /nfs/dbraw/zinc/07/35/26/553073526.db2.gz KMSDQBSMXUODTG-LLVKDONJSA-N 1 0 382.295 2.866 20 0 GFADRO CCc1c(C(=O)N2CC[NH2+][C@@H](C)C2)cnn1-c1ccc(Br)cc1 ZINC000237096720 553075044 /nfs/dbraw/zinc/07/50/44/553075044.db2.gz PAWRDNQKLLTUGP-LBPRGKRZSA-N 1 0 377.286 2.631 20 0 GFADRO CSCC[C@H]([NH3+])C(=O)N[C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000237327877 553076746 /nfs/dbraw/zinc/07/67/46/553076746.db2.gz VBMJAAGYTCUFHY-PWSUYJOCSA-N 1 0 396.866 2.529 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)c2cnn(-c3ccc(Br)cc3)c2)C1 ZINC000237374416 553077260 /nfs/dbraw/zinc/07/72/60/553077260.db2.gz NDDCXWMGOXXAQG-OLZOCXBDSA-N 1 0 377.286 2.834 20 0 GFADRO COCC[NH2+]CCNC(=O)c1sc(COc2ccc(Cl)cc2)nc1C ZINC000237348857 553077274 /nfs/dbraw/zinc/07/72/74/553077274.db2.gz XJORJOZDDRXXDV-UHFFFAOYSA-N 1 0 383.901 2.650 20 0 GFADRO C[C@@H](CC(=O)NCCC(=O)Nc1ccc(Br)cc1)[C@H]1CCC[NH2+]C1 ZINC000237418189 553077533 /nfs/dbraw/zinc/07/75/33/553077533.db2.gz OIWRALSFSWPUPG-KBPBESRZSA-N 1 0 396.329 2.920 20 0 GFADRO C[C@H](CC(=O)N(C)CC(=O)Nc1ccccc1Br)[C@@H]1CCC[NH2+]C1 ZINC000237493015 553078045 /nfs/dbraw/zinc/07/80/45/553078045.db2.gz SKNJPLWUFZQWLS-ZIAGYGMSSA-N 1 0 396.329 2.872 20 0 GFADRO Cc1c(C(=O)NCc2ccc(Br)cc2C)nnn1C1CC[NH2+]CC1 ZINC000237551962 553078592 /nfs/dbraw/zinc/07/85/92/553078592.db2.gz ZNUDYCVHWBZFGR-UHFFFAOYSA-N 1 0 392.301 2.512 20 0 GFADRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)CCc1nc(-c2cc(Br)cs2)no1 ZINC000237732732 553080910 /nfs/dbraw/zinc/08/09/10/553080910.db2.gz OOBDYJGVASOVCA-VHSXEESVSA-N 1 0 399.314 2.702 20 0 GFADRO O=C(NC[C@@H]1CCC[NH2+]C1)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1 ZINC000237775387 553081810 /nfs/dbraw/zinc/08/18/10/553081810.db2.gz STETUUKLFFKUCU-CQSZACIVSA-N 1 0 384.929 2.542 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CNC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000237792895 553081935 /nfs/dbraw/zinc/08/19/35/553081935.db2.gz IWJGBANAHFTXCM-NOLJZWGESA-N 1 0 394.313 2.733 20 0 GFADRO C[C@]1(C(=O)N2CCN(C(=O)c3cc(Cl)cc(Cl)c3)CC2)CCC[NH2+]C1 ZINC000237797175 553082386 /nfs/dbraw/zinc/08/23/86/553082386.db2.gz UXJJPVOZVFFJLR-SFHVURJKSA-N 1 0 384.307 2.668 20 0 GFADRO [NH3+]C1(CNC(=O)CCNC(=O)c2ccc(Br)cc2)CCCCCC1 ZINC000237821033 553082390 /nfs/dbraw/zinc/08/23/90/553082390.db2.gz FPZJBKWMKMCTRU-UHFFFAOYSA-N 1 0 396.329 2.737 20 0 GFADRO O=C(C[C@@H]1CSCC[NH2+]1)Nc1ccc(=O)n(Cc2ccccc2Cl)c1 ZINC000237898008 553083463 /nfs/dbraw/zinc/08/34/63/553083463.db2.gz OGQDQLCRLWDLGN-OAHLLOKOSA-N 1 0 377.897 2.584 20 0 GFADRO [NH3+][C@@H]1CC[C@@H](C(=O)N2CCC(C(=O)Nc3ccccc3Br)CC2)C1 ZINC000237933214 553084103 /nfs/dbraw/zinc/08/41/03/553084103.db2.gz DCWZVRKNVFUAFZ-ZIAGYGMSSA-N 1 0 394.313 2.754 20 0 GFADRO [NH3+]C[C@H]1CCCC[C@H]1NC(=O)c1cnn(-c2ccc(Br)cc2)c1 ZINC000238023140 553085025 /nfs/dbraw/zinc/08/50/25/553085025.db2.gz UVSJZRQHHUGJEB-MLGOLLRUSA-N 1 0 377.286 2.882 20 0 GFADRO CC[C@H]1CCCCN1CC(=O)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1 ZINC000245383249 553089280 /nfs/dbraw/zinc/08/92/80/553089280.db2.gz ODTXHQRLTIFDLN-HOTGVXAUSA-N 1 0 384.567 2.528 20 0 GFADRO O=C(N[C@H]1CCN(c2ccccc2Br)C1)[C@H]1CCCn2ccnc21 ZINC000245415325 553089863 /nfs/dbraw/zinc/08/98/63/553089863.db2.gz FWPRIJLLJJKFQD-KBPBESRZSA-N 1 0 389.297 2.918 20 0 GFADRO CC[C@H]1CN(C(=O)c2c[nH]c3cccc(Br)c32)CC[N@@H+]1C[C@H](C)O ZINC000245587957 553093479 /nfs/dbraw/zinc/09/34/79/553093479.db2.gz KBRPPBJAACDSLJ-STQMWFEESA-N 1 0 394.313 2.848 20 0 GFADRO CC[C@H]1CN(C(=O)Nc2cc(F)ccc2Br)CC[N@@H+]1C[C@H](C)O ZINC000245604843 553093650 /nfs/dbraw/zinc/09/36/50/553093650.db2.gz QOLJXSWBGLCVKO-AAEUAGOBSA-N 1 0 388.281 2.897 20 0 GFADRO COc1ccc(Cl)cc1N1CC[C@H]([NH2+][C@H]2CCCC[C@H]2S(C)(=O)=O)C1 ZINC000245615023 553094289 /nfs/dbraw/zinc/09/42/89/553094289.db2.gz MJWGKBVBHCPLGS-RLFYNMQTSA-N 1 0 386.945 2.873 20 0 GFADRO Cc1ccc(Br)c(S(=O)(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c1 ZINC000245670261 553095174 /nfs/dbraw/zinc/09/51/74/553095174.db2.gz COIJHOXFSYXYQN-ZFWWWQNUSA-N 1 0 387.343 2.862 20 0 GFADRO C[C@H](Oc1ccccc1Br)C(=O)NCCCC[N@@H+]1CCC[C@H]1CO ZINC000245706995 553095412 /nfs/dbraw/zinc/09/54/12/553095412.db2.gz YACIZVWRUZCRIU-GJZGRUSLSA-N 1 0 399.329 2.570 20 0 GFADRO CN1CCO[C@H]([C@H](NC(=O)[C@H]2CSCCS2)c2ccc(Cl)cc2)C1 ZINC000245798843 553096835 /nfs/dbraw/zinc/09/68/35/553096835.db2.gz YWSYHOHZXBDWDT-ARFHVFGLSA-N 1 0 386.970 2.677 20 0 GFADRO C[NH+](C)[C@@H]1CCCN(C[C@@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000245817897 553097623 /nfs/dbraw/zinc/09/76/23/553097623.db2.gz SUHIQWSPLDVETM-ZIAGYGMSSA-N 1 0 391.737 2.868 20 0 GFADRO C[C@H](O)CN1CCN(C(=O)Nc2cc(F)c(Br)c(F)c2)C[C@@H]1C ZINC000246001594 553100838 /nfs/dbraw/zinc/10/08/38/553100838.db2.gz GMQMJWATKSAICD-UWVGGRQHSA-N 1 0 392.244 2.646 20 0 GFADRO CC1(C)COCCN1CCNC(=O)[C@H]1C[C@H]1c1cccc(Br)c1 ZINC000246006623 553100841 /nfs/dbraw/zinc/10/08/41/553100841.db2.gz HVZOYUREXZJDQQ-HOTGVXAUSA-N 1 0 381.314 2.780 20 0 GFADRO O=C(NCc1ccc(Cl)s1)NC[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1 ZINC000245997531 553100852 /nfs/dbraw/zinc/10/08/52/553100852.db2.gz XVIVPQQQXTWFTD-GJZGRUSLSA-N 1 0 379.913 2.836 20 0 GFADRO Cc1sc(Br)cc1S(=O)(=O)N(C)[C@H]1CC[N@@H+](C)C[C@H]1C ZINC000246143488 553103277 /nfs/dbraw/zinc/10/32/77/553103277.db2.gz BJCXJFDFOFAVOD-KOLCDFICSA-N 1 0 381.361 2.780 20 0 GFADRO C[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCCN2C(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000246171646 553104185 /nfs/dbraw/zinc/10/41/85/553104185.db2.gz OOCMFCOFFVZTIK-MLGOLLRUSA-N 1 0 384.307 2.666 20 0 GFADRO CCCC[N@H+](C[C@@H](O)COCc1ccccc1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000246487618 553108270 /nfs/dbraw/zinc/10/82/70/553108270.db2.gz GYOSJEWOBOWNJR-DLBZAZTESA-N 1 0 389.945 2.507 20 0 GFADRO O=C(N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO)c1ccc(Br)o1 ZINC000246473633 553108784 /nfs/dbraw/zinc/10/87/84/553108784.db2.gz CXUYVJYUXOSPAY-CABCVRRESA-N 1 0 393.281 2.655 20 0 GFADRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)Nc1cc(Br)cn(C)c1=O ZINC000246578123 553110353 /nfs/dbraw/zinc/11/03/53/553110353.db2.gz VZUSLKRXYRVRNM-UPJWGTAASA-N 1 0 399.333 2.636 20 0 GFADRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N[C@H](CO)c1cccc(Br)c1 ZINC000246730666 553112142 /nfs/dbraw/zinc/11/21/42/553112142.db2.gz GGAYCRCIJBDFGR-JKIFEVAISA-N 1 0 398.345 2.902 20 0 GFADRO C[N@@H+]1CCC[C@@H]2CN([C@@H](C(N)=O)c3ccc(Br)cc3F)CC[C@H]21 ZINC000246768210 553112957 /nfs/dbraw/zinc/11/29/57/553112957.db2.gz HZJPJCWOPIOBAW-HFBAOOFYSA-N 1 0 384.293 2.531 20 0 GFADRO COC(=O)C[C@@H]1CSCC[N@@H+]1C[C@@H](O)Cc1ccccc1C(F)(F)F ZINC000246895867 553114933 /nfs/dbraw/zinc/11/49/33/553114933.db2.gz XLWBBHFMKCJLMI-KGLIPLIRSA-N 1 0 377.428 2.589 20 0 GFADRO CC[S@](=O)[C@@H]1CCC[C@@H]([NH2+][C@@H](C)c2cccc(S(=O)(=O)N(C)C)c2)C1 ZINC000246966841 553116539 /nfs/dbraw/zinc/11/65/39/553116539.db2.gz IECXJIPVMRSMLM-IUVKMMPPSA-N 1 0 386.583 2.667 20 0 GFADRO CC[C@@H]1CN(C(=O)[C@@H](C)Oc2ccc(Br)cc2)CC[N@@H+]1C[C@H](C)O ZINC000247055620 553118165 /nfs/dbraw/zinc/11/81/65/553118165.db2.gz YSMXYCWWAHCVDP-SQWLQELKSA-N 1 0 399.329 2.520 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)CCS(=O)(=O)c2ccc(Cl)cc2)[C@@H](C)C1 ZINC000247222836 553120218 /nfs/dbraw/zinc/12/02/18/553120218.db2.gz CRKLPLAVQYOFOU-WMLDXEAASA-N 1 0 386.945 2.693 20 0 GFADRO CN(Cc1c(F)cccc1Cl)S(=O)(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000247518244 553123526 /nfs/dbraw/zinc/12/35/26/553123526.db2.gz NUEFMFYXNOOFOS-SUMWQHHRSA-N 1 0 389.924 2.572 20 0 GFADRO C[N@@H+]1CCC[C@@H]2CN(S(=O)(=O)c3ccc(Br)cc3F)CC[C@H]21 ZINC000248570118 553131240 /nfs/dbraw/zinc/13/12/40/553131240.db2.gz LRIMRERSBSFZAN-BXUZGUMPSA-N 1 0 391.306 2.693 20 0 GFADRO Cc1ccc(Cl)c(OC[C@H](O)CN(C)[C@H]2CCCC[C@@H]2S(C)(=O)=O)c1 ZINC000248615620 553131875 /nfs/dbraw/zinc/13/18/75/553131875.db2.gz YWHMAXGGHUMZMF-HFTRVMKXSA-N 1 0 389.945 2.676 20 0 GFADRO Cc1cc(Br)ccc1S(=O)(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000248750215 553134582 /nfs/dbraw/zinc/13/45/82/553134582.db2.gz SPSNJWRPZZTXNV-JSGCOSHPSA-N 1 0 375.332 2.861 20 0 GFADRO COc1cc(Cl)c(S(=O)(=O)NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)cc1OC ZINC000248752937 553134617 /nfs/dbraw/zinc/13/46/17/553134617.db2.gz OYASXZVTNYQYAD-CHWSQXEVSA-N 1 0 390.933 2.756 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CNC(=O)C[C@@H](NC(C)=O)c1ccc(Br)cc1 ZINC000248782982 553135136 /nfs/dbraw/zinc/13/51/36/553135136.db2.gz WUPLKLFCLRVTBG-DLBZAZTESA-N 1 0 396.329 2.617 20 0 GFADRO C[C@H](CC(=O)N1CC[N@@H+](C[C@H](C)O)C[C@@H]1C)c1ccc(Br)cc1 ZINC000249103132 553139009 /nfs/dbraw/zinc/13/90/09/553139009.db2.gz ONDJSSPBQFRDQQ-ILXRZTDVSA-N 1 0 383.330 2.856 20 0 GFADRO Cc1cc(C)c(NC(=O)N2CC[N@@H+](C[C@H](C)O)[C@@H](C)C2)cc1Br ZINC000249149458 553140173 /nfs/dbraw/zinc/14/01/73/553140173.db2.gz WAMPZDYULGPTCR-KBPBESRZSA-N 1 0 384.318 2.985 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(Br)c(C)c2)[C@@H](C)C1 ZINC000249245991 553141102 /nfs/dbraw/zinc/14/11/02/553141102.db2.gz XFGMZSFDALHMQX-XJKSGUPXSA-N 1 0 396.329 2.885 20 0 GFADRO C[C@H](O)C[N@@H+]1CCN(Cc2ncc(-c3cccc(Br)c3)o2)[C@H](C)C1 ZINC000249283801 553141661 /nfs/dbraw/zinc/14/16/61/553141661.db2.gz NPDQXHUQCKAQPJ-KGLIPLIRSA-N 1 0 394.313 2.991 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)C(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000250640774 553147875 /nfs/dbraw/zinc/14/78/75/553147875.db2.gz UBJYSOSKFXBVMK-OCCSQVGLSA-N 1 0 396.329 2.933 20 0 GFADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2nc(Br)cs2)[C@@H](C)C1 ZINC000251842424 553148417 /nfs/dbraw/zinc/14/84/17/553148417.db2.gz ODHWXNLUYKVUHG-RYUDHWBXSA-N 1 0 390.347 2.772 20 0 GFADRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2nc(Br)cs2)[C@@H](C)C1 ZINC000251842421 553148689 /nfs/dbraw/zinc/14/86/89/553148689.db2.gz ODHWXNLUYKVUHG-NWDGAFQWSA-N 1 0 390.347 2.772 20 0 GFADRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)Nc1cccc(Br)c1 ZINC000253358202 553151070 /nfs/dbraw/zinc/15/10/70/553151070.db2.gz MHXQHKXBQJNXPA-MCIONIFRSA-N 1 0 396.329 2.870 20 0 GFADRO O=C(c1cc(Cl)ccc1I)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000261605277 553153943 /nfs/dbraw/zinc/15/39/43/553153943.db2.gz RHIGHBSGRPEEKW-NOZJJQNGSA-N 1 0 390.652 2.769 20 0 GFADRO O=C(c1ccc2cc(Br)ccc2c1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000261604748 553154134 /nfs/dbraw/zinc/15/41/34/553154134.db2.gz CKXRNTXUSPWSSP-GOSISDBHSA-N 1 0 388.309 2.722 20 0 GFADRO Cc1cc(C[N@@H+]2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)ccc1Br ZINC000261607063 553154147 /nfs/dbraw/zinc/15/41/47/553154147.db2.gz CWKCNXHNYVTBLH-AEFFLSMTSA-N 1 0 394.357 2.838 20 0 GFADRO O=C(NC[C@H]1CCCN(Cc2ccc(F)c(Br)c2)C1)[C@@H]1CCC[NH2+]1 ZINC000261636379 553154615 /nfs/dbraw/zinc/15/46/15/553154615.db2.gz HWNFNJQKQSMNBY-PBHICJAKSA-N 1 0 398.320 2.668 20 0 GFADRO C[C@@]([NH3+])(C(=O)NCCOc1ccc(Cl)cn1)c1ccc(Br)cc1 ZINC000261651104 553154989 /nfs/dbraw/zinc/15/49/89/553154989.db2.gz BJTOGVSCPRVMLU-INIZCTEOSA-N 1 0 398.688 2.867 20 0 GFADRO O=C(c1cc(=O)[nH]c2c(Br)cccc12)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000261687123 553156573 /nfs/dbraw/zinc/15/65/73/553156573.db2.gz DRKGXJCEJRYQAS-TXEJJXNPSA-N 1 0 390.281 2.775 20 0 GFADRO C[C@]([NH3+])(C(=O)N[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C)c1ccc(Br)cc1 ZINC000261693205 553156810 /nfs/dbraw/zinc/15/68/10/553156810.db2.gz HTSUSEMHMXZKHL-LUXYFRNMSA-N 1 0 381.314 2.943 20 0 GFADRO CN(C)c1ncc(Br)cc1C(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000261715249 553157163 /nfs/dbraw/zinc/15/71/63/553157163.db2.gz KZVGRMIENDIERI-UHFFFAOYSA-N 1 0 393.260 2.947 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000261731337 553157284 /nfs/dbraw/zinc/15/72/84/553157284.db2.gz CUISXUIHPUUSNQ-RDTXWAMCSA-N 1 0 384.567 2.548 20 0 GFADRO O=C(CC[C@H]1CC[NH2+]C1)NC1(c2ccc(Br)cc2)CCOCC1 ZINC000261792794 553159097 /nfs/dbraw/zinc/15/90/97/553159097.db2.gz CXYAPLQZGYOZGH-AWEZNQCLSA-N 1 0 381.314 2.961 20 0 GFADRO C[NH2+][C@@H](C)CNC(=O)c1cccc(NC(=O)c2ccc(Br)o2)c1 ZINC000261781207 553159427 /nfs/dbraw/zinc/15/94/27/553159427.db2.gz QAZSQVONNUQUQK-JTQLQIEISA-N 1 0 380.242 2.632 20 0 GFADRO O=C(CN1CCC([C@H]2CCC[NH2+]2)CC1)Nc1ccc(Br)cc1F ZINC000261837899 553160400 /nfs/dbraw/zinc/16/04/00/553160400.db2.gz YGERJFFNLKAGGV-OAHLLOKOSA-N 1 0 384.293 2.991 20 0 GFADRO CC1(C)CN(C(=O)[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)CC[C@@H]1[NH3+] ZINC000261838309 553160588 /nfs/dbraw/zinc/16/05/88/553160588.db2.gz LMRJFBMBRKQBJW-WFASDCNBSA-N 1 0 384.307 2.932 20 0 GFADRO C[C@@]1(C[NH3+])CCN(S(=O)(=O)c2cc(Cl)c(Br)cc2F)C1 ZINC000261881127 553161877 /nfs/dbraw/zinc/16/18/77/553161877.db2.gz UQLLVDANIDDQKG-LBPRGKRZSA-N 1 0 385.686 2.601 20 0 GFADRO O=C(c1csc(-c2ccccc2Cl)n1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000262082531 553165247 /nfs/dbraw/zinc/16/52/47/553165247.db2.gz QQNVSROLSQGUSU-ZDUSSCGKSA-N 1 0 376.913 2.583 20 0 GFADRO [NH3+]CCC(=O)NC[C@@H]1CCCCN1Cc1cc(Cl)ccc1Br ZINC000262097023 553166084 /nfs/dbraw/zinc/16/60/84/553166084.db2.gz VFOXVHDRTLYRNY-AWEZNQCLSA-N 1 0 388.737 2.922 20 0 GFADRO CN(CC(C)(C)C[NH3+])S(=O)(=O)c1c(Cl)cc(F)cc1Br ZINC000262165840 553166796 /nfs/dbraw/zinc/16/67/96/553166796.db2.gz WCPHFYYJADFGEA-UHFFFAOYSA-N 1 0 387.702 2.847 20 0 GFADRO Cc1ccc(SCC(F)(F)F)c(NC(=O)CNC(=O)[C@@H]([NH3+])C(C)C)c1 ZINC000262200534 553167474 /nfs/dbraw/zinc/16/74/74/553167474.db2.gz SEXCBLJWMOJREJ-AWEZNQCLSA-N 1 0 377.432 2.687 20 0 GFADRO O=C(NC[C@H]1[NH2+]CCc2ccccc21)c1[nH]nc(C2CC2)c1Br ZINC000262339713 553169349 /nfs/dbraw/zinc/16/93/49/553169349.db2.gz HSJLLOBMTDSFBW-CYBMUJFWSA-N 1 0 375.270 2.666 20 0 GFADRO O=S(=O)(CCc1cccs1)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000262369712 553169733 /nfs/dbraw/zinc/16/97/33/553169733.db2.gz WOUYLDCJUJZHTF-YOEHRIQHSA-N 1 0 386.489 2.634 20 0 GFADRO C[C@@H](c1ccccc1Cl)N1CCN(C(=O)c2csc(CC[NH3+])n2)CC1 ZINC000262350768 553170027 /nfs/dbraw/zinc/17/00/27/553170027.db2.gz ILQKZGHHNKORLG-ZDUSSCGKSA-N 1 0 378.929 2.817 20 0 GFADRO COc1ccc(Br)cc1S(=O)(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000262399844 553170522 /nfs/dbraw/zinc/17/05/22/553170522.db2.gz CDPMXOWBZZUPAJ-AWEZNQCLSA-N 1 0 391.331 2.514 20 0 GFADRO C[C@H]1C[C@@H](C(=O)NC[C@@H]2CCN(c3ccc(Br)cc3)C2)CC[NH2+]1 ZINC000262450455 553170927 /nfs/dbraw/zinc/17/09/27/553170927.db2.gz UQCLCQFZQPAKBT-KKUMJFAQSA-N 1 0 380.330 2.780 20 0 GFADRO O=C([C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1)N1CCC(n2cc(Br)cn2)CC1 ZINC000262465510 553171374 /nfs/dbraw/zinc/17/13/74/553171374.db2.gz LXXNZLWAWHFMKU-KCXAZCMYSA-N 1 0 381.318 2.730 20 0 GFADRO COc1ccc(Br)cc1C(=O)CCC(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000262574381 553172256 /nfs/dbraw/zinc/17/22/56/553172256.db2.gz HTHRNWGUIXZWFN-LBPRGKRZSA-N 1 0 383.286 2.536 20 0 GFADRO CCCN(C(=O)CCNC(=O)Nc1ccc(Br)cc1)[C@@H]1CC[NH2+]C1 ZINC000262568751 553172308 /nfs/dbraw/zinc/17/23/08/553172308.db2.gz FSQIRNDYUSJDMG-OAHLLOKOSA-N 1 0 397.317 2.561 20 0 GFADRO CC(C)(C[NH3+])NC(=O)c1nn(-c2cccc(Br)c2)c2c1CCCC2 ZINC000262545158 553172509 /nfs/dbraw/zinc/17/25/09/553172509.db2.gz KHXFJTKHXAUFMI-UHFFFAOYSA-N 1 0 391.313 2.981 20 0 GFADRO CN(CC(C)(C)C[NH3+])C(=O)CCC[S@](=O)c1ccc(Br)cc1 ZINC000262584059 553172837 /nfs/dbraw/zinc/17/28/37/553172837.db2.gz MRVIYCHXEXGEHJ-QFIPXVFZSA-N 1 0 389.359 2.780 20 0 GFADRO O=C(c1cnn(-c2ccc(Br)cc2)c1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262607443 553172873 /nfs/dbraw/zinc/17/28/73/553172873.db2.gz SOLMBLAKLVHYOK-CABCVRRESA-N 1 0 375.270 2.601 20 0 GFADRO O=C(NC1(c2cccc(Br)c2)CC1)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000262767111 553175147 /nfs/dbraw/zinc/17/51/47/553175147.db2.gz MANFXZGSWCKYJN-HNNXBMFYSA-N 1 0 389.297 2.989 20 0 GFADRO C[C@H]1C[NH2+]CC[C@H]1NS(=O)(=O)c1c(Cl)cc(F)cc1Br ZINC000262787471 553175618 /nfs/dbraw/zinc/17/56/18/553175618.db2.gz QSZGPTOZYHOESS-WRWORJQWSA-N 1 0 385.686 2.518 20 0 GFADRO C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)CCC[S@](=O)c1ccc(Br)cc1 ZINC000262827673 553176947 /nfs/dbraw/zinc/17/69/47/553176947.db2.gz UIVDKEGVTZLLMC-SASJJMKUSA-N 1 0 387.343 2.546 20 0 GFADRO C[C@H]1C[C@@H](NC(=O)c2nn(-c3ccc(F)cc3)cc2Br)CC[NH2+]1 ZINC000262923737 553178962 /nfs/dbraw/zinc/17/89/62/553178962.db2.gz RYUYJXWRTIROJY-JQWIXIFHSA-N 1 0 381.249 2.644 20 0 GFADRO CC[NH+]1CCN(CCC(=O)N[C@@H]2CCc3cc(Br)ccc32)CC1 ZINC000263654812 553190139 /nfs/dbraw/zinc/19/01/39/553190139.db2.gz GUUSSBGFHNVCDK-QGZVFWFLSA-N 1 0 380.330 2.580 20 0 GFADRO CC[NH+]1CCN(CCC(=O)NCc2c(C)cc(Br)cc2C)CC1 ZINC000263651858 553190501 /nfs/dbraw/zinc/19/05/01/553190501.db2.gz DZBGIJZTBUVQEE-UHFFFAOYSA-N 1 0 382.346 2.710 20 0 GFADRO COc1cc(CNC(=O)N[C@H](C)CC[NH+](C)C)cc(Br)c1OC ZINC000263680793 553190985 /nfs/dbraw/zinc/19/09/85/553190985.db2.gz DQRWXKZXFWGHGI-LLVKDONJSA-N 1 0 388.306 2.606 20 0 GFADRO C[C@H]([NH3+])CCNC(=O)NCCSCCOc1cccc(Br)c1 ZINC000417598000 563885334 /nfs/dbraw/zinc/88/53/34/563885334.db2.gz WNTWMDCJDXPJDF-LBPRGKRZSA-N 1 0 390.347 2.598 20 0 GFADRO C[NH2+]CCCNC(=O)NCCOc1ccc(Br)cc1C(F)(F)F ZINC000417946414 563892373 /nfs/dbraw/zinc/89/23/73/563892373.db2.gz FFWZGAOQPCZSAF-UHFFFAOYSA-N 1 0 398.223 2.755 20 0 GFADRO OCCCN1CCC[C@H]1C[NH2+]Cc1ccc(OC(F)F)c(Br)c1 ZINC000449388603 564182999 /nfs/dbraw/zinc/18/29/99/564182999.db2.gz PLZNWXFYOWQADT-ZDUSSCGKSA-N 1 0 393.272 2.987 20 0 GFADRO Cc1c(I)cccc1C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000471953672 564208248 /nfs/dbraw/zinc/20/82/48/564208248.db2.gz KFGMFPREUJTRFC-MEBBXXQBSA-N 1 0 384.261 2.812 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)c1c(F)cccc1I ZINC000564835988 564251794 /nfs/dbraw/zinc/25/17/94/564251794.db2.gz VIVHECQZTLGCHY-SKDRFNHKSA-N 1 0 376.213 2.772 20 0 GFADRO O=C(C[N@H+]1CC[C@H](Cc2cccc(I)c2)C1)N1CCCC1 ZINC000451187491 564284710 /nfs/dbraw/zinc/28/47/10/564284710.db2.gz GJKTUZWDCUXVTG-OAHLLOKOSA-N 1 0 398.288 2.778 20 0 GFADRO Cc1nnc(C[N@@H+]2CC[C@H](Cc3cccc(I)c3)C2)n1C ZINC000451192632 564284987 /nfs/dbraw/zinc/28/49/87/564284987.db2.gz OQFFLMIRJZDKST-CQSZACIVSA-N 1 0 396.276 2.793 20 0 GFADRO [NH3+]C[C@H]1CN(Cc2cc(Br)cc(F)c2F)CC12CCOCC2 ZINC000565899024 564301315 /nfs/dbraw/zinc/30/13/15/564301315.db2.gz YHNIFFNEMJWATA-LBPRGKRZSA-N 1 0 375.257 2.915 20 0 GFADRO Ic1cccc2ncnc(N[C@H]3CC[N@@H+](C4CC4)C3)c12 ZINC000545867135 564434796 /nfs/dbraw/zinc/43/47/96/564434796.db2.gz LWQHZRIIFPGGIJ-JTQLQIEISA-N 1 0 380.233 2.883 20 0 GFADRO O=S(=O)(Cc1cc(Cl)ccc1Br)NC[C@@H]1CCC[NH2+]C1 ZINC000514603272 564450842 /nfs/dbraw/zinc/45/08/42/564450842.db2.gz QCFASBPGXHYKDO-SNVBAGLBSA-N 1 0 381.723 2.522 20 0 GFADRO CC[NH+]1C[C@H](C)N(C(=O)c2cccc(F)c2I)[C@@H](C)C1 ZINC000569286860 564457597 /nfs/dbraw/zinc/45/75/97/564457597.db2.gz LDAFQVYDPKRNSH-QWRGUYRKSA-N 1 0 390.240 2.985 20 0 GFADRO CCN(CC[NH2+][C@H]1CCS(=O)(=O)c2ccc(Br)cc21)C1CC1 ZINC000480218830 564465129 /nfs/dbraw/zinc/46/51/29/564465129.db2.gz DEXOJLSPINFDOS-HNNXBMFYSA-N 1 0 387.343 2.742 20 0 GFADRO O[C@H](C[NH2+][C@H]1CCCOc2ccc(I)cc21)C(F)F ZINC000484489874 564589128 /nfs/dbraw/zinc/58/91/28/564589128.db2.gz PLYBEZXMDSOGBD-WDEREUQCSA-N 1 0 383.176 2.721 20 0 GFADRO Cc1csc(C(=O)N[C@@H]2[C@H](C)CC[NH2+][C@@H]2C)c1I ZINC000516644848 564508313 /nfs/dbraw/zinc/50/83/13/564508313.db2.gz LWEFKHIFDKOJAO-BCMRRPTOSA-N 1 0 378.279 2.777 20 0 GFADRO C[C@@H]1C[C@H]([NH3+])CN1C(=O)c1cc(I)cc(C(F)(F)F)c1 ZINC000602597959 565855957 /nfs/dbraw/zinc/85/59/57/565855957.db2.gz WXTQUMJGJBFTCR-HQJQHLMTSA-N 1 0 398.166 2.872 20 0 GFADRO CC(C)n1cc([C@]2(O)CCCN(Cc3cnc(Br)s3)C2)nn1 ZINC000295258564 563239143 /nfs/dbraw/zinc/23/91/43/563239143.db2.gz GTDUSTXRNZYRJD-AWEZNQCLSA-N 1 0 386.319 2.562 20 0 GFADRO C[C@@H]1CC2(CN1C(=O)Cc1ccc(I)cc1)CC[NH2+]CC2 ZINC000424248876 563375389 /nfs/dbraw/zinc/37/53/89/563375389.db2.gz XTHYPMGTOCPVKK-CYBMUJFWSA-N 1 0 398.288 2.824 20 0 GFADRO CC[C@@H]1C[N@H+](C)CCCN1C(=O)c1ccc(F)cc1I ZINC000300550779 563391780 /nfs/dbraw/zinc/39/17/80/563391780.db2.gz QZDIZCPWCNQPEB-GFCCVEGCSA-N 1 0 390.240 2.987 20 0 GFADRO O=S(=O)(c1cccc(Cl)c1Br)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000376751042 563452805 /nfs/dbraw/zinc/45/28/05/563452805.db2.gz VPJQWBJWBQUQMH-AWEZNQCLSA-N 1 0 393.734 2.867 20 0 GFADRO O=C(C1CC1)N1CCC([NH2+]Cc2cccc(I)c2)CC1 ZINC000380222915 563514205 /nfs/dbraw/zinc/51/42/05/563514205.db2.gz JPUSKEUDVGQBQW-UHFFFAOYSA-N 1 0 384.261 2.782 20 0 GFADRO CN(C)S(=O)(=O)CC[NH2+][C@H]1c2cccc(Br)c2CC1(C)C ZINC000429365736 563515773 /nfs/dbraw/zinc/51/57/73/563515773.db2.gz WVIWWQLXDJCRQU-AWEZNQCLSA-N 1 0 375.332 2.554 20 0 GFADRO C[NH2+][C@H]1CCCN(C(=O)NCCc2c[nH]c3cccc(Br)c23)C1 ZINC000418200388 563213195 /nfs/dbraw/zinc/21/31/95/563213195.db2.gz PZSIXINANXUNAG-ZDUSSCGKSA-N 1 0 379.302 2.866 20 0 GFADRO CO[C@H]1CCN(C(=O)NCCOc2ccc(Cl)c(Cl)c2)[C@@H](C[NH3+])C1 ZINC000418239823 563214098 /nfs/dbraw/zinc/21/40/98/563214098.db2.gz QXGIITMNCIMYPW-NEPJUHHUSA-N 1 0 376.284 2.520 20 0 GFADRO COC[C@]1(CNC(=O)NC/C=C/c2ccc(Br)cc2)CCC[NH2+]1 ZINC000418238154 563214265 /nfs/dbraw/zinc/21/42/65/563214265.db2.gz AFAJQMQFUZCUHN-NKEDHYFDSA-N 1 0 382.302 2.530 20 0 GFADRO O=C(NCCCN1CC[NH2+]CC1)N(Cc1c(Cl)cccc1Cl)C1CC1 ZINC000418283888 563215623 /nfs/dbraw/zinc/21/56/23/563215623.db2.gz ARKANOWYJPQGBI-UHFFFAOYSA-N 1 0 385.339 2.963 20 0 GFADRO C[NH2+]C[C@H](C)CNC(=O)N(CCOC)Cc1sccc1Br ZINC000418364068 563216171 /nfs/dbraw/zinc/21/61/71/563216171.db2.gz CTHXFZVEJJVBPL-NSHDSACASA-N 1 0 378.336 2.524 20 0 GFADRO COc1cccc(CS(=O)(=O)NC[C@@H]2CC[N@H+](C)[C@H]2c2cccs2)c1 ZINC000369541370 563216558 /nfs/dbraw/zinc/21/65/58/563216558.db2.gz UFUNTEQXGZTXAR-MAUKXSAKSA-N 1 0 380.535 2.869 20 0 GFADRO C[C@H](NC(=O)c1cccs1)C(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1cccs1 ZINC000369552703 563217497 /nfs/dbraw/zinc/21/74/97/563217497.db2.gz WRFFSPJYWQQUTN-HEHGZKQESA-N 1 0 377.535 2.737 20 0 GFADRO Cn1cc(N2CC[C@@H]([NH2+]C3CC(c4cccc(Br)c4)C3)C2=O)cn1 ZINC000277630589 563217590 /nfs/dbraw/zinc/21/75/90/563217590.db2.gz RKDVVIGEINEWKI-PUJMQQBBSA-N 1 0 389.297 2.824 20 0 GFADRO CCC([NH3+])(CC)CNC(=O)N(CCO)Cc1cc(Br)cs1 ZINC000418445774 563217791 /nfs/dbraw/zinc/21/77/91/563217791.db2.gz YECKZTVIAHMVJY-UHFFFAOYSA-N 1 0 378.336 2.532 20 0 GFADRO [NH3+]CCCCNC(=O)N(CCc1ccc(Cl)cc1)C[C@@H](O)C(F)(F)F ZINC000418534240 563219185 /nfs/dbraw/zinc/21/91/85/563219185.db2.gz XEMFIYUSWRUYNU-CQSZACIVSA-N 1 0 381.826 2.556 20 0 GFADRO CN(CCOc1ccc(Br)cc1)C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000418530115 563219548 /nfs/dbraw/zinc/21/95/48/563219548.db2.gz ALOZMPFFXWSEQD-QGZVFWFLSA-N 1 0 384.318 2.859 20 0 GFADRO COCCN(Cc1ccc(Br)s1)C(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000418587393 563220760 /nfs/dbraw/zinc/22/07/60/563220760.db2.gz GQLCLNGNPHNQOE-WCQYABFASA-N 1 0 390.347 2.667 20 0 GFADRO [NH3+]C[C@@H](NC(=O)N1CCC(n2cc(Br)cn2)CC1)C1CCCC1 ZINC000418593307 563220819 /nfs/dbraw/zinc/22/08/19/563220819.db2.gz LWGSWRXIALBSEA-OAHLLOKOSA-N 1 0 384.322 2.510 20 0 GFADRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N(C)[C@@H]1CCOc2ccc(Br)cc21 ZINC000418585276 563220843 /nfs/dbraw/zinc/22/08/43/563220843.db2.gz YHORQUABSRDABO-KCPJHIHWSA-N 1 0 382.302 2.912 20 0 GFADRO COCCN(Cc1ccc(Br)s1)C(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000418587394 563220898 /nfs/dbraw/zinc/22/08/98/563220898.db2.gz GQLCLNGNPHNQOE-YPMHNXCESA-N 1 0 390.347 2.667 20 0 GFADRO [NH3+]C[C@H](NC(=O)N[C@H](CCO)c1ccccc1Br)C1CCCC1 ZINC000418622680 563221289 /nfs/dbraw/zinc/22/12/89/563221289.db2.gz NNVTUWKVPOKEQB-CVEARBPZSA-N 1 0 384.318 2.689 20 0 GFADRO [NH3+]C[C@H](NC(=O)NC[C@@H](O)COc1cccc(Cl)c1Cl)C1CCCC1 ZINC000418631602 563221621 /nfs/dbraw/zinc/22/16/21/563221621.db2.gz YFRWBTDQXQWYMM-OCCSQVGLSA-N 1 0 390.311 2.550 20 0 GFADRO [NH3+]C[C@H](NC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1)C1CCCC1 ZINC000418609686 563221632 /nfs/dbraw/zinc/22/16/32/563221632.db2.gz CRRSNQAGRRAMHR-HNNXBMFYSA-N 1 0 386.327 2.738 20 0 GFADRO C[C@H](CCC[NH3+])NC(=O)N(CCn1ccnc1)Cc1ccc(Br)o1 ZINC000418690707 563221970 /nfs/dbraw/zinc/22/19/70/563221970.db2.gz PSYYZRJNTUWIDU-CYBMUJFWSA-N 1 0 398.305 2.578 20 0 GFADRO CN(Cc1ccc(Br)o1)C(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000418689068 563222029 /nfs/dbraw/zinc/22/20/29/563222029.db2.gz UPJJQSDPWBRWOT-LSDHHAIUSA-N 1 0 378.270 2.939 20 0 GFADRO [NH3+]C[C@H]1CC[C@H](CNC(=O)N(CCO)Cc2cccc(Br)c2)CC1 ZINC000418670553 563222037 /nfs/dbraw/zinc/22/20/37/563222037.db2.gz RGNOUCFKAWZEOV-SHTZXODSSA-N 1 0 398.345 2.718 20 0 GFADRO C[C@H](CCC[NH3+])NC(=O)N1CCN(CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000418679849 563222115 /nfs/dbraw/zinc/22/21/15/563222115.db2.gz BXSHZOCFGXNJHD-CQSZACIVSA-N 1 0 387.355 2.991 20 0 GFADRO [NH3+]C[C@H]1CC[C@H](CNC(=O)N2CCN(Cc3ccc(Cl)s3)CC2)CC1 ZINC000418662020 563222356 /nfs/dbraw/zinc/22/23/56/563222356.db2.gz CCBUPEYADFSEQX-SHTZXODSSA-N 1 0 384.977 2.994 20 0 GFADRO Cc1nccnc1CC[NH2+][C@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000294926623 563222381 /nfs/dbraw/zinc/22/23/81/563222381.db2.gz HEAHBYOFZLXUEA-SECBINFHSA-N 1 0 389.308 2.633 20 0 GFADRO C[C@H]([NH3+])[C@H](C)NC(=O)N(Cc1cccc(Br)c1)C1CCOCC1 ZINC000418704156 563222670 /nfs/dbraw/zinc/22/26/70/563222670.db2.gz RAWGYXJVMFITRT-STQMWFEESA-N 1 0 384.318 2.875 20 0 GFADRO CN(C(=O)c1ccc(I)c(F)c1)[C@H]1CCC[NH2+]CC1 ZINC000369751591 563224278 /nfs/dbraw/zinc/22/42/78/563224278.db2.gz YHSYEFHHJTUGRF-NSHDSACASA-N 1 0 376.213 2.644 20 0 GFADRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)N2CCO[C@H](c3cccc(Br)c3)C2)C1 ZINC000418788292 563225716 /nfs/dbraw/zinc/22/57/16/563225716.db2.gz KSDGPCQHRBSORI-WQVCFCJDSA-N 1 0 382.302 2.659 20 0 GFADRO O=C(N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)N1CCc2ccc(Br)cc2C1 ZINC000418782038 563225861 /nfs/dbraw/zinc/22/58/61/563225861.db2.gz DIGFYTLXAZUWCU-JKIFEVAISA-N 1 0 378.314 2.905 20 0 GFADRO O=C(NCCC[C@H]1CCC[NH2+]1)NC[C@@H](O)COc1cccc(Cl)c1Cl ZINC000418776181 563225971 /nfs/dbraw/zinc/22/59/71/563225971.db2.gz UCNHJUVEDABSMO-CHWSQXEVSA-N 1 0 390.311 2.565 20 0 GFADRO COCCN(Cc1ccc(Br)s1)C(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000418801492 563226014 /nfs/dbraw/zinc/22/60/14/563226014.db2.gz XIQCXIUFXJRUMP-NWDGAFQWSA-N 1 0 390.347 2.796 20 0 GFADRO C[NH+](C)[C@H]1CCCN(C(=O)c2cccnc2-n2cc(Br)cn2)CC1 ZINC000295034680 563226143 /nfs/dbraw/zinc/22/61/43/563226143.db2.gz ACLKYQQYWVKHHX-AWEZNQCLSA-N 1 0 392.301 2.586 20 0 GFADRO C[C@H](NC(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1)c1ccc(Cl)cc1Cl ZINC000418828876 563226709 /nfs/dbraw/zinc/22/67/09/563226709.db2.gz IHOFVBKIEQXXSW-WYURAEBNSA-N 1 0 384.307 2.756 20 0 GFADRO Cc1nc2ccc(Br)cn2c1C(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000369860823 563227347 /nfs/dbraw/zinc/22/73/47/563227347.db2.gz DEHYHHYVBZGOMK-JSGCOSHPSA-N 1 0 377.286 2.571 20 0 GFADRO C[C@H](NC(=O)C(=O)N1CC[C@](C)(C[NH3+])C1)c1cc(F)c(Cl)cc1Cl ZINC000418833267 563227432 /nfs/dbraw/zinc/22/74/32/563227432.db2.gz IAIBQTKIEHBXMT-XXFAHNHDSA-N 1 0 376.259 2.507 20 0 GFADRO C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000369913220 563228127 /nfs/dbraw/zinc/22/81/27/563228127.db2.gz QKPBVWWTPWXIQK-MEDZGJRSSA-N 1 0 384.307 2.698 20 0 GFADRO C[C@H](NC(=O)C(=O)N(C)CC(C)(C)C[NH3+])c1cc(F)c(Cl)cc1Cl ZINC000418856304 563228300 /nfs/dbraw/zinc/22/83/00/563228300.db2.gz WOVTWPNWPIDDAB-VIFPVBQESA-N 1 0 378.275 2.753 20 0 GFADRO C[C@H]([NH2+]C[C@H]1CCC[C@@]12NC(=O)N(C)C2=O)c1ccc(Br)cc1 ZINC000370024215 563231128 /nfs/dbraw/zinc/23/11/28/563231128.db2.gz BBJWCNCIKKFAGO-XTQGRXLLSA-N 1 0 380.286 2.820 20 0 GFADRO C[NH+](C)CCOc1ccc(NC(=O)Cc2cc[nH]c(=O)c2Br)cc1 ZINC000277898155 563231606 /nfs/dbraw/zinc/23/16/06/563231606.db2.gz CRXLYZIDNYJDNQ-UHFFFAOYSA-N 1 0 394.269 2.671 20 0 GFADRO C[C@@]1(CNC(=O)C(=O)NCCCc2ccc(Cl)cc2Cl)CCC[NH2+]C1 ZINC000419041103 563232254 /nfs/dbraw/zinc/23/22/54/563232254.db2.gz NFPCYLNQOIGAMY-GOSISDBHSA-N 1 0 386.323 2.548 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)NCCCc2ccc(Cl)cc2Cl)C1 ZINC000419032174 563232562 /nfs/dbraw/zinc/23/25/62/563232562.db2.gz ARGILPCFLSAYTR-OCCSQVGLSA-N 1 0 386.323 2.628 20 0 GFADRO COCCC[N@@H+]1CCCN(C[C@@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000370168557 563235236 /nfs/dbraw/zinc/23/52/36/563235236.db2.gz FOINAGJXCAHWGQ-MRXNPFEDSA-N 1 0 391.339 2.777 20 0 GFADRO C[C@@H]([NH3+])C1CCN(C(=O)C(=O)N[C@H](C)Cc2ccc(Cl)cc2Cl)CC1 ZINC000419293188 563236073 /nfs/dbraw/zinc/23/60/73/563236073.db2.gz YXUUGZNCRCQPEL-VXGBXAGGSA-N 1 0 386.323 2.626 20 0 GFADRO C[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000419278602 563236098 /nfs/dbraw/zinc/23/60/98/563236098.db2.gz HYVJAWIQROWAGK-KFNAQCHYSA-N 1 0 386.323 2.674 20 0 GFADRO COc1cc(Br)c(C(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)cc1OC ZINC000295216962 563236441 /nfs/dbraw/zinc/23/64/41/563236441.db2.gz XSVNTZKQFPAQFV-WDEREUQCSA-N 1 0 383.286 2.821 20 0 GFADRO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1Cc1nnc(-c2ccc(Cl)cc2Cl)o1 ZINC000419329644 563236709 /nfs/dbraw/zinc/23/67/09/563236709.db2.gz QCJNSXLCFDNGRY-VXGBXAGGSA-N 1 0 385.295 2.930 20 0 GFADRO CC(C)[N@H+](C)Cc1cccc(CNC(=O)c2c(Br)cnn2C)c1 ZINC000295241963 563237487 /nfs/dbraw/zinc/23/74/87/563237487.db2.gz LSAOYQVGURKYLP-UHFFFAOYSA-N 1 0 379.302 2.953 20 0 GFADRO C[C@@H]([NH3+])C1CCN(C(=O)[C@@H]2CCN(c3cc(Cl)cc(Cl)c3)C2=O)CC1 ZINC000370271954 563238799 /nfs/dbraw/zinc/23/87/99/563238799.db2.gz ZNZPPXWBMFCXER-BZNIZROVSA-N 1 0 384.307 2.932 20 0 GFADRO C[C@@H]1[C@H](C)C[N@H+](CC(=O)Nc2ccc(Cl)c(S(=O)(=O)N(C)C)c2)[C@H]1C ZINC000419378986 563239002 /nfs/dbraw/zinc/23/90/02/563239002.db2.gz VXTGWRISDUFREP-UPJWGTAASA-N 1 0 387.933 2.505 20 0 GFADRO C[C@H](NC(=O)N1C[C@H](C)[N@H+](CCO)C[C@H]1C)c1ccc(Br)cc1 ZINC000419399295 563239111 /nfs/dbraw/zinc/23/91/11/563239111.db2.gz IPSLUTBVTVSEFO-MJBXVCDLSA-N 1 0 384.318 2.607 20 0 GFADRO C[C@H](CNC(=O)C(=O)N[C@@H]1CCCC[C@H]1C[NH3+])c1c(Cl)cccc1Cl ZINC000419521611 563240883 /nfs/dbraw/zinc/24/08/83/563240883.db2.gz RVRATDDQBOALSO-TYNCELHUSA-N 1 0 386.323 2.847 20 0 GFADRO Cc1cc(Br)ccc1C(=O)N1CCC([NH2+]C[C@H](C)CCO)CC1 ZINC000370382974 563241847 /nfs/dbraw/zinc/24/18/47/563241847.db2.gz YNJBZLXVKAQMGH-CYBMUJFWSA-N 1 0 383.330 2.970 20 0 GFADRO C[C@H](Cc1c(Cl)cccc1Cl)NC(=O)C(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000419601253 563243409 /nfs/dbraw/zinc/24/34/09/563243409.db2.gz WOLCQHXIHURYJU-AGIUHOORSA-N 1 0 386.323 2.545 20 0 GFADRO CC(C)[NH+]1CCN([C@H]2CCN(C(=O)c3ccc(Br)cc3)C2)CC1 ZINC000370425056 563243538 /nfs/dbraw/zinc/24/35/38/563243538.db2.gz QQGOBFCHBPADAR-KRWDZBQOSA-N 1 0 380.330 2.690 20 0 GFADRO C[C@@H]([NH2+]Cc1ccc(S(N)(=O)=O)c(Cl)c1)[C@H](c1ccccc1)N(C)C ZINC000419682677 563245257 /nfs/dbraw/zinc/24/52/57/563245257.db2.gz JWXGCAUWMMPXBR-FZKQIMNGSA-N 1 0 381.929 2.768 20 0 GFADRO CO[C@H](c1ccccc1F)[C@H](C)[NH2+]Cc1ccc(S(N)(=O)=O)c(Cl)c1 ZINC000419688316 563245283 /nfs/dbraw/zinc/24/52/83/563245283.db2.gz GKBIGKGIHCVGDT-GTNSWQLSSA-N 1 0 386.876 2.992 20 0 GFADRO C[C@H]1C[C@@H](C(=O)N[C@@H]2CCN(c3ccccc3Br)C2)CC[N@@H+]1C ZINC000370483584 563245849 /nfs/dbraw/zinc/24/58/49/563245849.db2.gz HTWVFGYVZLSELT-SOUVJXGZSA-N 1 0 380.330 2.874 20 0 GFADRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)NCC(C)(C)c1c(Cl)cccc1Cl ZINC000419699537 563246938 /nfs/dbraw/zinc/24/69/38/563246938.db2.gz WGWXGMVOAJTNSO-NEPJUHHUSA-N 1 0 386.323 2.583 20 0 GFADRO Cc1c(CNC(=O)C(=O)N2CCC(C[NH3+])CC2)sc2ccc(Cl)cc12 ZINC000419708616 563247215 /nfs/dbraw/zinc/24/72/15/563247215.db2.gz MBCQMKSMLRALCS-UHFFFAOYSA-N 1 0 379.913 2.677 20 0 GFADRO COC(=O)[C@]12C[N@H+](Cc3nc4cc(Br)ccc4o3)C[C@H]1COCC2 ZINC000370575360 563248550 /nfs/dbraw/zinc/24/85/50/563248550.db2.gz IAFXTUGSYMTKPA-APPDUMDISA-N 1 0 395.253 2.602 20 0 GFADRO CN(C)C(=O)N1CCC([NH2+][C@@H]2CCN(c3cccc(Br)c3)C2)CC1 ZINC000278316528 563250371 /nfs/dbraw/zinc/25/03/71/563250371.db2.gz BJXFNAHJNPFHDM-MRXNPFEDSA-N 1 0 395.345 2.763 20 0 GFADRO CCC[NH2+]CCNC(=O)C(=O)N1CCC(Sc2ccc(Cl)cc2)CC1 ZINC000419912566 563252591 /nfs/dbraw/zinc/25/25/91/563252591.db2.gz WWJCKCSJFFTSAD-UHFFFAOYSA-N 1 0 383.945 2.539 20 0 GFADRO O=C(NC[C@@H]1CCC[NH2+]C1)C(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000419877607 563252675 /nfs/dbraw/zinc/25/26/75/563252675.db2.gz FVWVHUCAHCZHIM-MLGOLLRUSA-N 1 0 384.307 2.773 20 0 GFADRO CC(C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000419931634 563253022 /nfs/dbraw/zinc/25/30/22/563253022.db2.gz DIDQGZDJKZJGCO-CQSZACIVSA-N 1 0 386.323 2.989 20 0 GFADRO C[NH+](C)CC[C@](C)(O)CNC(=O)c1ccc(Br)c(Cl)c1F ZINC000419969914 563254449 /nfs/dbraw/zinc/25/44/49/563254449.db2.gz ASRCCYXDQZDFOF-AWEZNQCLSA-N 1 0 381.673 2.674 20 0 GFADRO O=C(CCc1ccccc1Br)NC[C@@H]1CCC[C@@H]1[NH+]1CCOCC1 ZINC000370772324 563254654 /nfs/dbraw/zinc/25/46/54/563254654.db2.gz KALSYKICRNWNBA-WMZOPIPTSA-N 1 0 395.341 2.999 20 0 GFADRO O=C(NC[C@@H]1CCC[C@H]1[NH+]1CCOCC1)c1ccc(Br)c(F)c1 ZINC000370777146 563254714 /nfs/dbraw/zinc/25/47/14/563254714.db2.gz WNSLWRKSNNNPBS-XJKSGUPXSA-N 1 0 385.277 2.819 20 0 GFADRO Cc1cccc([C@H](C[NH2+]Cc2c(Br)cnn2C)N2CCOCC2)c1 ZINC000278433602 563255137 /nfs/dbraw/zinc/25/51/37/563255137.db2.gz SJNLTOISUHDTIU-KRWDZBQOSA-N 1 0 393.329 2.654 20 0 GFADRO C[C@H]1CCCN(C(=O)C2CCN(C(=O)c3ccc(Cl)s3)CC2)[C@@H]1C[NH3+] ZINC000370793510 563255474 /nfs/dbraw/zinc/25/54/74/563255474.db2.gz MLUYIBGCWQCULE-GXTWGEPZSA-N 1 0 383.945 2.840 20 0 GFADRO O=C(C[NH2+]C1(CO)CCOCC1)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000370818814 563256226 /nfs/dbraw/zinc/25/62/26/563256226.db2.gz HWHFNEZQKWAWDC-INIZCTEOSA-N 1 0 387.307 2.788 20 0 GFADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)NCc1cccnn1 ZINC000278486015 563257780 /nfs/dbraw/zinc/25/77/80/563257780.db2.gz KJAQWVWJRWAWQZ-UHFFFAOYSA-N 1 0 392.301 2.513 20 0 GFADRO CC[NH2+][C@H](C)CNC(=O)C(=O)N1CCC[C@@H]1c1ccc(Br)c(C)c1 ZINC000420153008 563258806 /nfs/dbraw/zinc/25/88/06/563258806.db2.gz FOXCEPKXRUIMOJ-CZUORRHYSA-N 1 0 396.329 2.535 20 0 GFADRO Cc1cn2c(n1)[C@H](CNS(=O)(=O)c1ccc(Br)cc1)CCC2 ZINC000370953459 563260508 /nfs/dbraw/zinc/26/05/08/563260508.db2.gz NFHSSWIRHQQQFW-LBPRGKRZSA-N 1 0 384.299 2.810 20 0 GFADRO [NH3+][C@H]1CCC[C@H](CNc2ncnc3cccc(I)c32)C1 ZINC000420294833 563261821 /nfs/dbraw/zinc/26/18/21/563261821.db2.gz ZPGXMLZMDRFUNJ-QWRGUYRKSA-N 1 0 382.249 3.164 20 0 GFADRO NC(=O)[C@H](c1cccc(Br)c1)N1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1 ZINC000420389694 563262903 /nfs/dbraw/zinc/26/29/03/563262903.db2.gz OXAQUPRYVDUDGO-UAGQMJEPSA-N 1 0 392.272 2.541 20 0 GFADRO CN(C[C@@H](O)C[NH3+])[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)c1ccccc1 ZINC000420354606 563262927 /nfs/dbraw/zinc/26/29/27/563262927.db2.gz OXGKFQVBGKDUOX-IRXDYDNUSA-N 1 0 382.291 2.925 20 0 GFADRO C[C@H](C[NH2+]C[C@@H](O)CS(=O)(=O)c1cccs1)c1cc(F)cc(F)c1 ZINC000295808264 563263058 /nfs/dbraw/zinc/26/30/58/563263058.db2.gz TXUFEKKCRIAUMW-IAQYHMDHSA-N 1 0 375.462 2.554 20 0 GFADRO C[C@@H]1CCN(CC(=O)Nc2c(F)cc(F)cc2Br)C[C@H]1C[NH3+] ZINC000420395900 563263232 /nfs/dbraw/zinc/26/32/32/563263232.db2.gz DTHRZNBETXEWFA-NXEZZACHSA-N 1 0 376.245 2.583 20 0 GFADRO COc1cc(Br)c(S(=O)(=O)N[C@@H](C[NH3+])C(C)(C)C)cc1Cl ZINC000420444304 563263576 /nfs/dbraw/zinc/26/35/76/563263576.db2.gz CGPIMCBHBQFDTQ-LBPRGKRZSA-N 1 0 399.738 2.763 20 0 GFADRO [NH3+][C@@H]1CN(S(=O)(=O)Cc2ccc(F)c(Cl)c2)C[C@H]1c1ccccc1F ZINC000420466192 563264236 /nfs/dbraw/zinc/26/42/36/563264236.db2.gz AHDLXLLVJMVZGO-SUMWQHHRSA-N 1 0 386.851 2.875 20 0 GFADRO Cn1ncc(Br)c1C(=O)NC[C@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000295827735 563264510 /nfs/dbraw/zinc/26/45/10/563264510.db2.gz VTQLSOAZXZXEEO-MRXNPFEDSA-N 1 0 391.313 2.823 20 0 GFADRO O=C(N[C@H]1CCOc2ccc(Br)cc21)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000278648609 563264814 /nfs/dbraw/zinc/26/48/14/563264814.db2.gz AJFUAOXKOYUOPF-GWCFXTLKSA-N 1 0 391.269 2.503 20 0 GFADRO COc1ccc(S(=O)(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)cc1Cl ZINC000420469409 563265150 /nfs/dbraw/zinc/26/51/50/563265150.db2.gz JFKQCODIPLNVLL-XJKSGUPXSA-N 1 0 384.860 2.603 20 0 GFADRO [NH3+][C@H]1Cc2ccccc2N(S(=O)(=O)Cc2ccc(Br)cc2)C1 ZINC000420471265 563265340 /nfs/dbraw/zinc/26/53/40/563265340.db2.gz ACTLWSKKOOUXAQ-HNNXBMFYSA-N 1 0 381.295 2.669 20 0 GFADRO Cc1ccc(Br)c(S(=O)(=O)N2C[C@@H]([NH3+])Cc3ccccc32)c1 ZINC000420475321 563265983 /nfs/dbraw/zinc/26/59/83/563265983.db2.gz MJLAXEVTCIMFEI-ZDUSSCGKSA-N 1 0 381.295 2.836 20 0 GFADRO OC1CC[NH+](CCNc2nn3cc(-c4ccc(Cl)cc4)nc3s2)CC1 ZINC000295883372 563266903 /nfs/dbraw/zinc/26/69/03/563266903.db2.gz DCOPJMFMSJTMGU-UHFFFAOYSA-N 1 0 377.901 2.980 20 0 GFADRO C[NH+](C)C1CCN(CCNC(=O)N2CCSC[C@@H]2c2cccs2)CC1 ZINC000371144862 563266907 /nfs/dbraw/zinc/26/69/07/563266907.db2.gz LJJABBFVIANZIS-MRXNPFEDSA-N 1 0 382.599 2.574 20 0 GFADRO C[NH+]1CCC(CCNS(=O)(=O)c2cc(Cl)ccc2OC(F)F)CC1 ZINC000420656979 563269548 /nfs/dbraw/zinc/26/95/48/563269548.db2.gz AGXKQEOSPCOPFI-UHFFFAOYSA-N 1 0 382.860 2.952 20 0 GFADRO C[N@H+](CCCCCO)C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000278810948 563271323 /nfs/dbraw/zinc/27/13/23/563271323.db2.gz GPHZZVPILMCJGU-CYBMUJFWSA-N 1 0 380.710 2.937 20 0 GFADRO C[N@H+](CCNS(=O)(=O)c1cc(F)ccc1OC(F)F)C1CCCCC1 ZINC000420664948 563271482 /nfs/dbraw/zinc/27/14/82/563271482.db2.gz QYBLAGBWQXGKJG-UHFFFAOYSA-N 1 0 380.432 2.970 20 0 GFADRO NC(=O)C1(C[NH2+][C@H](Cc2ccccc2Br)C2CC2)CCOCC1 ZINC000296033927 563272349 /nfs/dbraw/zinc/27/23/49/563272349.db2.gz QHVQQWJEBHZCRW-MRXNPFEDSA-N 1 0 381.314 2.642 20 0 GFADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)Nc1ccc(Br)nc1 ZINC000278819304 563272414 /nfs/dbraw/zinc/27/24/14/563272414.db2.gz IILABOINTJTITB-GFCCVEGCSA-N 1 0 383.290 2.561 20 0 GFADRO C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+]Cc1c(Br)cnn1C ZINC000278858595 563273506 /nfs/dbraw/zinc/27/35/06/563273506.db2.gz XRWZPDKMQZAEGU-YPMHNXCESA-N 1 0 387.322 2.918 20 0 GFADRO C[C@@H](Cc1cccc(Br)c1)NC(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000278980210 563278898 /nfs/dbraw/zinc/27/88/98/563278898.db2.gz JWQNCEVQQBZSIN-WCQYABFASA-N 1 0 377.286 2.610 20 0 GFADRO O=S1(=O)CC[C@@]2(C1)C[C@@H]([NH2+]Cc1cnc(-c3cccs3)s1)CCO2 ZINC000371509485 563279931 /nfs/dbraw/zinc/27/99/31/563279931.db2.gz PPPAEPGGLIBCNY-LRDDRELGSA-N 1 0 384.548 2.698 20 0 GFADRO COc1ccc(CNC(=O)N2CC[C@@H]3CC[N@H+](C)[C@@H]3C2)cc1Br ZINC000371508645 563280077 /nfs/dbraw/zinc/28/00/77/563280077.db2.gz LAWKWQZKMGNACO-DZGCQCFKSA-N 1 0 382.302 2.693 20 0 GFADRO COC(=O)C[C@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(Br)cc1 ZINC000279155822 563285891 /nfs/dbraw/zinc/28/58/91/563285891.db2.gz HTMSDAZXFXTXEY-NOLJZWGESA-N 1 0 397.313 2.900 20 0 GFADRO C[C@@H](c1ccsc1)N1CCN(C(=O)c2c(Br)cnn2C)CC1 ZINC000296425991 563286341 /nfs/dbraw/zinc/28/63/41/563286341.db2.gz XYVLXQDMNWGGKY-NSHDSACASA-N 1 0 383.315 2.763 20 0 GFADRO C[NH+](C)[C@H]1CCCN(S(=O)(=O)c2cnc(Cl)c(Br)c2)CC1 ZINC000296470640 563288491 /nfs/dbraw/zinc/28/84/91/563288491.db2.gz XUUYLSRYNKMUCX-JTQLQIEISA-N 1 0 396.738 2.602 20 0 GFADRO COc1ccc(CC[NH2+]Cc2c(Br)c(C)nn2C)c(OC)c1OC ZINC000279240470 563289362 /nfs/dbraw/zinc/28/93/62/563289362.db2.gz ZUPOMTRGCAYESE-UHFFFAOYSA-N 1 0 398.301 2.849 20 0 GFADRO COCCOC1(C[NH2+][C@H](COC)c2cccc(Cl)c2F)CCOCC1 ZINC000296522922 563290373 /nfs/dbraw/zinc/29/03/73/563290373.db2.gz QBEVNXXVPSTKKX-MRXNPFEDSA-N 1 0 375.868 2.968 20 0 GFADRO C[C@@H](O)c1ccc(C[NH2+]C2CCN(S(=O)(=O)c3cccs3)CC2)cc1 ZINC000371979888 563292518 /nfs/dbraw/zinc/29/25/18/563292518.db2.gz USMCQIWCRRDCBA-CQSZACIVSA-N 1 0 380.535 2.744 20 0 GFADRO CSc1nsc(NC(=O)N2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1 ZINC000371973127 563292738 /nfs/dbraw/zinc/29/27/38/563292738.db2.gz OCVJUDJOXFTBTN-TXEJJXNPSA-N 1 0 385.559 2.613 20 0 GFADRO O[C@@H](COc1ccc(Cl)cc1Br)C[N@@H+]1CC[C@]12CCOC2 ZINC000421027087 563293471 /nfs/dbraw/zinc/29/34/71/563293471.db2.gz UJCRYTJQEGWUPQ-IUODEOHRSA-N 1 0 376.678 2.707 20 0 GFADRO COC1([C@@H](C)[NH2+]Cc2ccc(I)cc2)CCOCC1 ZINC000421029763 563294583 /nfs/dbraw/zinc/29/45/83/563294583.db2.gz IQDQVSFCPOJJMJ-GFCCVEGCSA-N 1 0 375.250 2.965 20 0 GFADRO COCCC[N@@H+]1CCCN(C(=O)Cc2cc(Br)ccc2F)CC1 ZINC000372111241 563295784 /nfs/dbraw/zinc/29/57/84/563295784.db2.gz PUTZJGVZVWGWAK-UHFFFAOYSA-N 1 0 387.293 2.702 20 0 GFADRO CCN(CCS(C)(=O)=O)C(=O)C1CCN(Cc2ccc(Cl)s2)CC1 ZINC000372231421 563299802 /nfs/dbraw/zinc/29/98/02/563299802.db2.gz MIMCFZXFJLLKSI-UHFFFAOYSA-N 1 0 392.974 2.507 20 0 GFADRO C[C@H]1CN(C(=O)c2ccc(Br)cc2F)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000372364483 563303738 /nfs/dbraw/zinc/30/37/38/563303738.db2.gz FYGXGTLFNNPGFW-GUYCJALGSA-N 1 0 398.320 2.686 20 0 GFADRO C[C@H]1CN(C(=O)CSc2ccc(Cl)cc2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000372364718 563304221 /nfs/dbraw/zinc/30/42/21/563304221.db2.gz HCQJYXJFHNWFCM-MAUKXSAKSA-N 1 0 381.973 2.917 20 0 GFADRO C[NH+](C)C1CCC(NC(=O)C(=O)Nc2ccc(Br)c(F)c2)CC1 ZINC000421286482 563305165 /nfs/dbraw/zinc/30/51/65/563305165.db2.gz FJMCIJBFTPAMSN-UHFFFAOYSA-N 1 0 386.265 2.516 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N(C)C[C@H]2CCC[N@@H+]2C)cc1Br ZINC000421299729 563305724 /nfs/dbraw/zinc/30/57/24/563305724.db2.gz NYWKDCQDTKRLBU-CYBMUJFWSA-N 1 0 382.302 2.557 20 0 GFADRO C[NH+]1CCC2(CCCN2C(=O)NCc2ccc(O)c(Br)c2)CC1 ZINC000372433556 563306131 /nfs/dbraw/zinc/30/61/31/563306131.db2.gz KQGQIJHVRZHTPK-UHFFFAOYSA-N 1 0 382.302 2.925 20 0 GFADRO O=C(NCC1(c2cccc(Br)c2)CCOCC1)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000372429999 563306491 /nfs/dbraw/zinc/30/64/91/563306491.db2.gz CRMYXZUBPIOEOE-VQIMIIECSA-N 1 0 393.325 2.613 20 0 GFADRO CNC(=O)[C@H]1CC[N@H+](Cc2c(C)nn(-c3ccc(Br)cc3)c2C)C1 ZINC000421373216 563308478 /nfs/dbraw/zinc/30/84/78/563308478.db2.gz DRBZJWLLJXTTKI-AWEZNQCLSA-N 1 0 391.313 2.820 20 0 GFADRO [NH3+][C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccn(-c2cccc(Br)c2)n1 ZINC000372494997 563308550 /nfs/dbraw/zinc/30/85/50/563308550.db2.gz DSKANBBCIUFIJB-XMQYKBBCSA-N 1 0 375.270 2.729 20 0 GFADRO CCCN1C[C@@H](C[NH2+]Cc2cnn(-c3ccc(Br)cc3)c2)CC1=O ZINC000421355029 563308746 /nfs/dbraw/zinc/30/87/46/563308746.db2.gz SYTIOBFANXOEOW-CQSZACIVSA-N 1 0 391.313 2.983 20 0 GFADRO CCCOc1c(Br)cc(C[N@@H+]2CC[C@H](C(=O)NC)C2)cc1OC ZINC000421396727 563309297 /nfs/dbraw/zinc/30/92/97/563309297.db2.gz ZNABCENMOZLHJF-ZDUSSCGKSA-N 1 0 385.302 2.814 20 0 GFADRO CC(C)[N@@H+](Cc1ccc(OC(F)(F)F)c(Br)c1)C[C@@H](O)CO ZINC000421413773 563309327 /nfs/dbraw/zinc/30/93/27/563309327.db2.gz XXCOSRQFVTVSNK-LLVKDONJSA-N 1 0 386.208 2.911 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2S(=O)(=O)/C=C/c1cccc(Cl)c1 ZINC000372510214 563309316 /nfs/dbraw/zinc/30/93/16/563309316.db2.gz AJUQVJKJMWDKJW-SKOWGDCESA-N 1 0 384.929 2.824 20 0 GFADRO OCCOC1(C[NH2+][C@@H]2CCc3c2ccc(F)c3Br)CCOCC1 ZINC000296951107 563309638 /nfs/dbraw/zinc/30/96/38/563309638.db2.gz TZGRVGJOQBUDSG-OAHLLOKOSA-N 1 0 388.277 2.723 20 0 GFADRO C[C@@H](Oc1ccccc1Br)C(=O)N1CCC[N@H+](CC(C)(C)O)CC1 ZINC000372544055 563310166 /nfs/dbraw/zinc/31/01/66/563310166.db2.gz FYVGHYFSEXPJIJ-CQSZACIVSA-N 1 0 399.329 2.522 20 0 GFADRO O=C(Nc1c(F)cc(Br)cc1F)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000296990669 563311651 /nfs/dbraw/zinc/31/16/51/563311651.db2.gz RTTOYJPXQYHYQV-LLVKDONJSA-N 1 0 392.244 2.696 20 0 GFADRO CS(=O)(=O)c1ccc(C(=O)NC[C@@H]2CCC[N@@H+]2CC2CCCCC2)s1 ZINC000421458347 563311994 /nfs/dbraw/zinc/31/19/94/563311994.db2.gz LJJRHBBJRNCZPN-HNNXBMFYSA-N 1 0 384.567 2.926 20 0 GFADRO CCOC(=O)Cc1cnc(NC(=O)NC[C@@H](c2ccsc2)[NH+](C)C)s1 ZINC000297111694 563316178 /nfs/dbraw/zinc/31/61/78/563316178.db2.gz CPAQOLVQQIOXKL-ZDUSSCGKSA-N 1 0 382.511 2.735 20 0 GFADRO [NH3+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)c1cc(Br)c2c(c1)OCCO2 ZINC000372769965 563316609 /nfs/dbraw/zinc/31/66/09/563316609.db2.gz QKMAHZFOKBKNJZ-YHWZYXNKSA-N 1 0 381.270 2.705 20 0 GFADRO Cc1cc(NC(=O)N(C)CCn2cc(Br)cn2)cn2ccnc12 ZINC000297139444 563316754 /nfs/dbraw/zinc/31/67/54/563316754.db2.gz ZFACEEACYDLKNW-UHFFFAOYSA-N 1 0 377.246 2.766 20 0 GFADRO Cc1nc2ccc(Br)cn2c1C(=O)N(C)[C@H]1CC[N@@H+](C)C[C@H]1C ZINC000280000170 563318395 /nfs/dbraw/zinc/31/83/95/563318395.db2.gz DECYBHQZNYWKTI-RISCZKNCSA-N 1 0 379.302 2.817 20 0 GFADRO O=C(N[C@H](CO)c1ccc(Br)cc1)NC1CC[NH+](C2CCC2)CC1 ZINC000297223954 563320142 /nfs/dbraw/zinc/32/01/42/563320142.db2.gz ZLVHTQLTXWOXSU-QGZVFWFLSA-N 1 0 396.329 2.799 20 0 GFADRO C[C@H](Cc1ccc(F)cc1Cl)[NH2+]C[C@@H]1CCCCN1S(=O)(=O)N(C)C ZINC000421857768 563323177 /nfs/dbraw/zinc/32/31/77/563323177.db2.gz QEPSLENACKZHRC-CJNGLKHVSA-N 1 0 391.940 2.661 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2nc3cc(Br)ccn3n2)[C@H](C)C1 ZINC000297332698 563323754 /nfs/dbraw/zinc/32/37/54/563323754.db2.gz NACACONDFHDGHD-YPMHNXCESA-N 1 0 395.305 2.686 20 0 GFADRO O=C(c1cc(Cl)ccc1I)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000373052772 563327372 /nfs/dbraw/zinc/32/73/72/563327372.db2.gz CVNUQNKDSIMLSS-NOZJJQNGSA-N 1 0 390.652 2.769 20 0 GFADRO O=C(Nc1ccc(F)cc1Br)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000373079603 563327676 /nfs/dbraw/zinc/32/76/76/563327676.db2.gz XXPDBIIGBKCRTF-GJZGRUSLSA-N 1 0 386.265 2.651 20 0 GFADRO COc1ccc(Br)cc1C(=O)CCC(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000422021069 563328509 /nfs/dbraw/zinc/32/85/09/563328509.db2.gz MKTMMOUUVJALDJ-CQSZACIVSA-N 1 0 397.313 2.973 20 0 GFADRO C[C@H](CNC(=O)N(C)C[C@H](O)c1ccccc1Br)[N@H+](C)C1CC1 ZINC000297568591 563329789 /nfs/dbraw/zinc/32/97/89/563329789.db2.gz GYHLWRKRCIKIBH-WBMJQRKESA-N 1 0 384.318 2.607 20 0 GFADRO CN(Cc1nc(C(F)(F)F)cs1)C(=O)Nc1ccnn1CC[NH+](C)C ZINC000297566017 563329921 /nfs/dbraw/zinc/32/99/21/563329921.db2.gz XVPNSENBEVCYMC-UHFFFAOYSA-N 1 0 376.408 2.584 20 0 GFADRO COc1ccc2c(c1)[C@H]([NH3+])CCN2S(=O)(=O)c1ccc(Cl)nc1Cl ZINC000373171828 563330219 /nfs/dbraw/zinc/33/02/19/563330219.db2.gz CLKBQZPODXHNFU-LLVKDONJSA-N 1 0 388.276 2.996 20 0 GFADRO CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000297896724 563339313 /nfs/dbraw/zinc/33/93/13/563339313.db2.gz RGYXXSGDBVZNNL-GOSISDBHSA-N 1 0 383.945 2.694 20 0 GFADRO C[NH+]1CCC2(CCCN2S(=O)(=O)c2ccc(Br)cc2F)CC1 ZINC000373477094 563339477 /nfs/dbraw/zinc/33/94/77/563339477.db2.gz WGLNQSGHUCJBGE-UHFFFAOYSA-N 1 0 391.306 2.837 20 0 GFADRO Cc1cccc(C(=O)NC2CCN(c3nccn3C)CC2)c1Br ZINC000373518697 563340596 /nfs/dbraw/zinc/34/05/96/563340596.db2.gz YTGPGABPWYTICF-UHFFFAOYSA-N 1 0 377.286 2.890 20 0 GFADRO C[C@@H]1C[C@H](C)N(S(=O)(=O)Cc2ccc(Br)cc2)C[C@H]1C[NH3+] ZINC000422556118 563342680 /nfs/dbraw/zinc/34/26/80/563342680.db2.gz SCMPOQVRWMNOAN-MBNYWOFBSA-N 1 0 375.332 2.584 20 0 GFADRO CC(C)(CC[NH3+])NS(=O)(=O)c1cc(Br)cc(C(F)(F)F)c1 ZINC000422555680 563342905 /nfs/dbraw/zinc/34/29/05/563342905.db2.gz QSYPHIQDOVKUCW-UHFFFAOYSA-N 1 0 389.237 2.874 20 0 GFADRO COCC[N@@H+]1CC[C@H](NC(=O)c2cc(F)c(Br)cc2Cl)C1 ZINC000280563904 563343953 /nfs/dbraw/zinc/34/39/53/563343953.db2.gz QMGVCFVQYMEUTE-VIFPVBQESA-N 1 0 379.657 2.692 20 0 GFADRO COc1ccc(Br)cc1CC(=O)N1c2ccccc2C[C@@H]1C[NH3+] ZINC000422627596 563345167 /nfs/dbraw/zinc/34/51/67/563345167.db2.gz PISKPSDMHOCIKR-OAHLLOKOSA-N 1 0 375.266 2.917 20 0 GFADRO CCCc1cc(C(=O)N(CCC[NH+](C)C)[C@H]2CCS(=O)(=O)C2)sc1C ZINC000298163267 563346211 /nfs/dbraw/zinc/34/62/11/563346211.db2.gz NTRDBBNXSKBNQS-INIZCTEOSA-N 1 0 386.583 2.590 20 0 GFADRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)N(C)Cc1c(Cl)cccc1Cl ZINC000298151801 563346321 /nfs/dbraw/zinc/34/63/21/563346321.db2.gz YYRRWNGHRPNDEG-BLLLJJGKSA-N 1 0 386.323 2.750 20 0 GFADRO C[N@@H+]1CC[C@H]2CCN(C(=O)c3cnnn3-c3c(Cl)cccc3Cl)C[C@H]21 ZINC000373703131 563347790 /nfs/dbraw/zinc/34/77/90/563347790.db2.gz SOUHHLAUERZYHB-XHDPSFHLSA-N 1 0 380.279 2.740 20 0 GFADRO CCOC(=O)[C@@H]1NCC[C@H]1[NH2+]CC1(c2cccc(Br)c2)CCC1 ZINC000422739373 563348175 /nfs/dbraw/zinc/34/81/75/563348175.db2.gz LIDVWXHQTFYAEY-HZPDHXFCSA-N 1 0 381.314 2.754 20 0 GFADRO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NCCNC(=O)c1ccc(Br)cc1 ZINC000422731787 563348641 /nfs/dbraw/zinc/34/86/41/563348641.db2.gz MHLITCMFUORHAY-KBXCAEBGSA-N 1 0 390.325 2.727 20 0 GFADRO CCOC(=O)[C@@H]1NCC[C@@H]1[NH2+]CC1(c2ccc(Br)cc2)CCC1 ZINC000422742051 563349057 /nfs/dbraw/zinc/34/90/57/563349057.db2.gz QZCQBRYKXHMCNF-JKSUJKDBSA-N 1 0 381.314 2.754 20 0 GFADRO C[S@@](=O)C1(C[NH2+]Cc2c(F)ccc(I)c2F)CCC1 ZINC000280694485 563349720 /nfs/dbraw/zinc/34/97/20/563349720.db2.gz RWPQUNYVMNKPGZ-LJQANCHMSA-N 1 0 399.244 2.960 20 0 GFADRO Brc1cccc(N2CC[C@H](C[NH2+][C@@H](C3CC3)[C@@H]3CNCCO3)C2)c1 ZINC000422898881 563349934 /nfs/dbraw/zinc/34/99/34/563349934.db2.gz NEDLILHYQQNXHF-CCKFTAQKSA-N 1 0 394.357 2.632 20 0 GFADRO O=C(Nc1cc(Br)ccc1F)C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000373766230 563350373 /nfs/dbraw/zinc/35/03/73/563350373.db2.gz MCKQHEBWOFELFU-UHFFFAOYSA-N 1 0 398.276 2.660 20 0 GFADRO Cn1nc(Br)cc1C(=O)NC1CC[NH+](Cc2ccccc2F)CC1 ZINC000373796833 563350961 /nfs/dbraw/zinc/35/09/61/563350961.db2.gz XUKYNKUTNJSVEC-UHFFFAOYSA-N 1 0 395.276 2.716 20 0 GFADRO C[C@H]([NH3+])[C@H](Cc1ccccc1)NC[C@H](O)COc1ccccc1Br ZINC000422947563 563351591 /nfs/dbraw/zinc/35/15/91/563351591.db2.gz YKVKZMSHXRZLSK-ZVZYQTTQSA-N 1 0 393.325 2.737 20 0 GFADRO CCN(C)C(=O)[C@@H]([NH2+]CCC(=O)Nc1ccccc1Br)C(C)C ZINC000298375423 563353184 /nfs/dbraw/zinc/35/31/84/563353184.db2.gz NRPRJHVJFKPKKD-INIZCTEOSA-N 1 0 384.318 2.870 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)[C@@H]1CCCN1C(=O)c1cccs1)c1ccsc1 ZINC000298396586 563353754 /nfs/dbraw/zinc/35/37/54/563353754.db2.gz SVTHCHWNYQRXQI-LSDHHAIUSA-N 1 0 377.535 2.833 20 0 GFADRO O=C(NCc1cc(F)cc(Br)c1)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000423062479 563354030 /nfs/dbraw/zinc/35/40/30/563354030.db2.gz UBXOOABSPLMFTQ-HNNXBMFYSA-N 1 0 381.249 2.639 20 0 GFADRO C[C@H]1CC[NH2+][C@@H](C(=O)N2CCN(C(=O)c3c(Cl)cccc3Cl)CC2)C1 ZINC000423065580 563354188 /nfs/dbraw/zinc/35/41/88/563354188.db2.gz UWLHEZAKISUGLU-SWLSCSKDSA-N 1 0 384.307 2.666 20 0 GFADRO C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000423089459 563354392 /nfs/dbraw/zinc/35/43/92/563354392.db2.gz SFGJOABUICQUJW-FPMFFAJLSA-N 1 0 384.307 2.866 20 0 GFADRO O=C(NCc1ccc(Br)c(F)c1)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000423092034 563354604 /nfs/dbraw/zinc/35/46/04/563354604.db2.gz AGBQTGHQPZBIBJ-ZDUSSCGKSA-N 1 0 381.249 2.639 20 0 GFADRO C[C@]1(C[NH3+])CCN(C(=O)C(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000423097331 563355146 /nfs/dbraw/zinc/35/51/46/563355146.db2.gz QSHPGMSGGHIEDR-MAUKXSAKSA-N 1 0 384.307 2.854 20 0 GFADRO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N(C)[C@@H](C)c2ccc(Cl)c(Cl)c2)C1 ZINC000423116983 563356287 /nfs/dbraw/zinc/35/62/87/563356287.db2.gz SHXQKYOUBQBFCM-STQMWFEESA-N 1 0 386.323 2.971 20 0 GFADRO C[C@H]([NH2+]C[C@H](CO)Cc1ccc(F)c(Br)c1)c1cnccc1N ZINC000423156083 563356642 /nfs/dbraw/zinc/35/66/42/563356642.db2.gz LZXMQYMSUJFAGW-WCQYABFASA-N 1 0 382.277 2.898 20 0 GFADRO COc1ccc(Br)cc1C[C@H](CO)CN[C@H](C)[C@H]1CCCC[NH2+]1 ZINC000423161695 563357620 /nfs/dbraw/zinc/35/76/20/563357620.db2.gz OCKQVIVGUOYHPS-JKIFEVAISA-N 1 0 385.346 2.729 20 0 GFADRO C[C@@H](NC(=O)N(C)C[C@H](O)c1cccc(Br)c1)C1=CC[N@H+](C)CC1 ZINC000298531252 563359019 /nfs/dbraw/zinc/35/90/19/563359019.db2.gz CKQHAXBBGLSNAQ-DYVFJYSZSA-N 1 0 396.329 2.774 20 0 GFADRO COC(=O)C[C@H]([NH3+])C(=O)N1CCC(COc2cc(Cl)cc(Cl)c2)CC1 ZINC000423237985 563359232 /nfs/dbraw/zinc/35/92/32/563359232.db2.gz UONSBZHHPSJFQV-HNNXBMFYSA-N 1 0 389.279 2.501 20 0 GFADRO Cc1cc(F)c(Br)cc1S(=O)(=O)N1[C@@H]2CC[C@H]1C[C@@H]([NH3+])C2 ZINC000374089414 563361150 /nfs/dbraw/zinc/36/11/50/563361150.db2.gz RWNBTBYKUDOHOH-JGPRNRPPSA-N 1 0 377.279 2.539 20 0 GFADRO [NH3+][C@H]1C[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1cccc(Cl)c1Br ZINC000374089670 563361317 /nfs/dbraw/zinc/36/13/17/563361317.db2.gz VQSJKWAQAUVNFC-ILWJIGKKSA-N 1 0 379.707 2.745 20 0 GFADRO O=C(CC[NH2+][C@@H]1CCC(=O)NC12CCC2)Nc1cccc(Br)c1 ZINC000298635026 563362083 /nfs/dbraw/zinc/36/20/83/563362083.db2.gz WFBISZSYWBHIQQ-CQSZACIVSA-N 1 0 380.286 2.569 20 0 GFADRO C[NH2+]C[C@H]1CCN(C(=O)C(=O)N2CCc3cc(Cl)c(Cl)cc3[C@@H]2C)C1 ZINC000423569630 563362215 /nfs/dbraw/zinc/36/22/15/563362215.db2.gz YKDNPWCQQSHRPW-NWDGAFQWSA-N 1 0 384.307 2.507 20 0 GFADRO Cc1cc(COc2ccc(C(=O)N3CC[C@H]([NH3+])[C@@H]3C)cc2Br)no1 ZINC000423681031 563362642 /nfs/dbraw/zinc/36/26/42/563362642.db2.gz SIEADPYFSDIDIP-NHYWBVRUSA-N 1 0 394.269 2.886 20 0 GFADRO C[C@@H]([NH2+]C[C@@H]1CCn2ncc(C(N)=O)c2C1)c1cc(Br)cs1 ZINC000280990137 563362830 /nfs/dbraw/zinc/36/28/30/563362830.db2.gz MSBCAYFNBIAFAQ-NXEZZACHSA-N 1 0 383.315 2.719 20 0 GFADRO Cc1onc(-c2ccc(Cl)c(Cl)c2)c1C(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000280993421 563363112 /nfs/dbraw/zinc/36/31/12/563363112.db2.gz FEOJRYGCCXRPIQ-QGZVFWFLSA-N 1 0 386.279 2.999 20 0 GFADRO [NH3+]CC1(CC(=O)NCc2cc(Br)ccc2Br)CC1 ZINC000423749236 563363695 /nfs/dbraw/zinc/36/36/95/563363695.db2.gz BMMOUDHBGXSZRE-UHFFFAOYSA-N 1 0 376.092 2.957 20 0 GFADRO COC[C@]1(C(=O)N2CCC(c3ccccc3Br)CC2)CC[NH2+]C1 ZINC000423847234 563364095 /nfs/dbraw/zinc/36/40/95/563364095.db2.gz MFAONWRKENDZPW-SFHVURJKSA-N 1 0 381.314 2.781 20 0 GFADRO CC1(C)CCC[NH2+][C@H]1C(=O)NCc1noc(-c2cccc(Br)c2)n1 ZINC000423933546 563364333 /nfs/dbraw/zinc/36/43/33/563364333.db2.gz WGQGLXACHNDZKD-AWEZNQCLSA-N 1 0 393.285 2.894 20 0 GFADRO Cc1c(C(=O)N[C@@H](C[NH3+])C2CCCC2)nnn1-c1cccc(Br)c1 ZINC000423952535 563364769 /nfs/dbraw/zinc/36/47/69/563364769.db2.gz JBBRPHAVEONGPU-HNNXBMFYSA-N 1 0 392.301 2.586 20 0 GFADRO CC(=O)N[C@@H](CC(=O)N[C@H](C[NH3+])C(C)(C)C)c1ccc(Br)cc1 ZINC000423952922 563365894 /nfs/dbraw/zinc/36/58/94/563365894.db2.gz LNABNJINZHGXQG-LSDHHAIUSA-N 1 0 384.318 2.506 20 0 GFADRO [NH3+]CCC[C@H](NC(=O)c1cc(I)c[nH]1)c1ccccc1 ZINC000423977494 563366389 /nfs/dbraw/zinc/36/63/89/563366389.db2.gz WACGRGZDZJPBKJ-ZDUSSCGKSA-N 1 0 383.233 2.829 20 0 GFADRO CSC1(C[NH2+][C@@H](C)c2ccc(Br)c(S(N)(=O)=O)c2)CC1 ZINC000281107192 563366320 /nfs/dbraw/zinc/36/63/20/563366320.db2.gz LOOBLWKZOZWCRC-VIFPVBQESA-N 1 0 379.345 2.643 20 0 GFADRO C[C@H]1CCN(C(=O)c2cn(-c3ccc(Br)cc3)cn2)C[C@@H]1C[NH3+] ZINC000423990590 563366358 /nfs/dbraw/zinc/36/63/58/563366358.db2.gz CRERTYKZSLPEHM-STQMWFEESA-N 1 0 377.286 2.692 20 0 GFADRO CCOc1c(Br)cc(C[N@@H+]2CC[C@](C)(C(=O)NC)C2)cc1OC ZINC000281105217 563366495 /nfs/dbraw/zinc/36/64/95/563366495.db2.gz LLLHODUXGXXSPX-KRWDZBQOSA-N 1 0 385.302 2.814 20 0 GFADRO CCn1cnc2c(c1=O)CCN(Cc1cn3cc(Cl)cc(Cl)c3n1)C2 ZINC000281122307 563367092 /nfs/dbraw/zinc/36/70/92/563367092.db2.gz XRYDYJQDHDEDDJ-UHFFFAOYSA-N 1 0 378.263 2.776 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)c2ccc(Br)c(OC(F)(F)F)c2)CCCO1 ZINC000424017795 563367242 /nfs/dbraw/zinc/36/72/42/563367242.db2.gz HKJJJFODUZJUMN-SNVBAGLBSA-N 1 0 397.191 2.538 20 0 GFADRO C[C@@H]1CCN(C(=O)c2cnn(-c3ccc(Br)cc3)c2)C[C@H]1C[NH3+] ZINC000424024526 563367933 /nfs/dbraw/zinc/36/79/33/563367933.db2.gz WDLANZCKGFFFGZ-CHWSQXEVSA-N 1 0 377.286 2.692 20 0 GFADRO COc1cc(C(=O)N2C[C@H]([NH3+])Cc3ccccc32)cc(Br)c1OC ZINC000424074973 563369185 /nfs/dbraw/zinc/36/91/85/563369185.db2.gz KZTAOHZJWGJWCG-CYBMUJFWSA-N 1 0 391.265 2.997 20 0 GFADRO CN(Cc1ccccc1Br)C(=O)C[N@@H+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000374401704 563371094 /nfs/dbraw/zinc/37/10/94/563371094.db2.gz RKFTWJFTLMHJAD-GOEBONIOSA-N 1 0 381.314 2.766 20 0 GFADRO CCOc1cc(C[NH2+]C[C@@H]2CCN(C)C(=O)C2)cc(Br)c1OC ZINC000424190396 563372317 /nfs/dbraw/zinc/37/23/17/563372317.db2.gz OHYVCILGCDPLBF-GFCCVEGCSA-N 1 0 385.302 2.814 20 0 GFADRO O=C(COc1ccc(Br)cc1F)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000374438812 563372535 /nfs/dbraw/zinc/37/25/35/563372535.db2.gz SOXNXDSFTWZBHB-OAHLLOKOSA-N 1 0 385.277 2.958 20 0 GFADRO CCOc1cc(C[NH2+][C@H]2CC23CC3)cc(Br)c1OCC(=O)N(C)C ZINC000424186659 563372679 /nfs/dbraw/zinc/37/26/79/563372679.db2.gz SKJYWCUKOYHMIN-HNNXBMFYSA-N 1 0 397.313 2.957 20 0 GFADRO COc1ncc(C(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)cc1Br ZINC000424207003 563373107 /nfs/dbraw/zinc/37/31/07/563373107.db2.gz XBLZOSZWPKTCDM-SWLSCSKDSA-N 1 0 394.244 2.559 20 0 GFADRO CN1CC[C@@H](C[NH2+]Cc2cnn(-c3ccc(Br)cc3)c2)CC1=O ZINC000424194356 563373331 /nfs/dbraw/zinc/37/33/31/563373331.db2.gz WHBPCZRFYBUMFD-CYBMUJFWSA-N 1 0 377.286 2.593 20 0 GFADRO COC(=O)CC1CC([NH2+]CCCNC(=O)c2ccc(Br)cc2)C1 ZINC000424276115 563375272 /nfs/dbraw/zinc/37/52/72/563375272.db2.gz YBUYNJYTXQSINJ-UHFFFAOYSA-N 1 0 383.286 2.500 20 0 GFADRO C[C@@H](CC(=O)N(C)C)[NH2+]Cc1cc(Cl)cc(I)c1 ZINC000424288541 563375681 /nfs/dbraw/zinc/37/56/81/563375681.db2.gz IZHQCOYEWNWWFA-VIFPVBQESA-N 1 0 380.657 2.901 20 0 GFADRO C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+]C[C@H]1CCN(C)C(=O)C1 ZINC000424329241 563375800 /nfs/dbraw/zinc/37/58/00/563375800.db2.gz QNBMXRQBFUPNAX-STQMWFEESA-N 1 0 382.302 2.624 20 0 GFADRO CO[C@H]1C[C@H]2C[C@@H]([NH2+]C[C@H](O)COc3ccccc3Br)C[C@H]2C1 ZINC000424305863 563376304 /nfs/dbraw/zinc/37/63/04/563376304.db2.gz TYHDSNOUVFXVQP-XFIYOXNOSA-N 1 0 384.314 2.982 20 0 GFADRO Cc1nc(NC2CC[NH+]([C@H](C)c3ccccc3)CC2)sc1S(N)(=O)=O ZINC000374622842 563377692 /nfs/dbraw/zinc/37/76/92/563377692.db2.gz AYIIUETZMGRKLW-CYBMUJFWSA-N 1 0 380.539 2.736 20 0 GFADRO C[C@H]1CC2(CN1S(=O)(=O)c1ccc(F)cc1C(F)(F)F)CC[NH2+]CC2 ZINC000424392730 563377940 /nfs/dbraw/zinc/37/79/40/563377940.db2.gz QCBLQDPCWBCQKX-NSHDSACASA-N 1 0 380.407 2.997 20 0 GFADRO C[C@H]1CC2(CN1S(=O)(=O)Cc1cccc(Br)c1)CC[NH2+]CC2 ZINC000424392363 563378193 /nfs/dbraw/zinc/37/81/93/563378193.db2.gz PITQGCWYTKKGHI-ZDUSSCGKSA-N 1 0 387.343 2.743 20 0 GFADRO COC(=O)[C@H](c1cccnc1)N1CCC(Cn2cc(Br)cn2)CC1 ZINC000374642688 563378418 /nfs/dbraw/zinc/37/84/18/563378418.db2.gz CSHFZNNHZQHDKM-INIZCTEOSA-N 1 0 393.285 2.667 20 0 GFADRO C[NH+](C)[C@@]1(CNC(=O)C(=O)Nc2cc(Cl)c(Cl)cc2F)CCSC1 ZINC000281476494 563378640 /nfs/dbraw/zinc/37/86/40/563378640.db2.gz OVDJZFIPOBCHIB-OAHLLOKOSA-N 1 0 394.299 2.625 20 0 GFADRO COc1ncc(C(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)cc1Br ZINC000424591190 563382401 /nfs/dbraw/zinc/38/24/01/563382401.db2.gz HKNIFBVWJYUPGZ-HNNXBMFYSA-N 1 0 392.297 2.755 20 0 GFADRO CCN(CCC[NH+]1CCCC1)C(=O)C(=O)Nc1cc(Cl)c(N)c(Cl)c1 ZINC000299521564 563385511 /nfs/dbraw/zinc/38/55/11/563385511.db2.gz CYYICMNRBFBHPE-UHFFFAOYSA-N 1 0 387.311 2.849 20 0 GFADRO C[C@H](NC(=O)CN1CC[C@@H]2CC[N@H+](C)[C@@H]2C1)c1ccc(Br)cc1 ZINC000375025749 563388250 /nfs/dbraw/zinc/38/82/50/563388250.db2.gz ZOIQVPGTTLYZNE-JLJPHGGASA-N 1 0 380.330 2.652 20 0 GFADRO C[N@@H+]1CC[C@@H]2CCN([C@H]3CC(=O)N(c4cccc(Cl)c4Cl)C3=O)C[C@H]21 ZINC000375052526 563388892 /nfs/dbraw/zinc/38/88/92/563388892.db2.gz CMPXCTQQFAFCEO-BYCMXARLSA-N 1 0 382.291 2.651 20 0 GFADRO COc1c(Br)ccc(C)c1C(=O)NCC1(O)CC[NH+](C(C)C)CC1 ZINC000424732728 563389325 /nfs/dbraw/zinc/38/93/25/563389325.db2.gz QWPSFKGBMIWYLC-UHFFFAOYSA-N 1 0 399.329 2.731 20 0 GFADRO COc1ncc(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1Br ZINC000424729298 563389549 /nfs/dbraw/zinc/38/95/49/563389549.db2.gz COVOFLJGDNHMEM-WBMJQRKESA-N 1 0 394.313 2.942 20 0 GFADRO Cc1oc(Br)cc1C(=O)N1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000424768079 563390909 /nfs/dbraw/zinc/39/09/09/563390909.db2.gz RQSJSWSVKCWDBW-LBPRGKRZSA-N 1 0 384.318 2.591 20 0 GFADRO Cc1cccc(C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)c1I ZINC000300403109 563391716 /nfs/dbraw/zinc/39/17/16/563391716.db2.gz UASLNGNJYVESAD-STQMWFEESA-N 1 0 384.261 2.956 20 0 GFADRO C[NH+]1CCN(Cc2ccc(NC(=O)[C@]3(C)C[C@@H]3F)cc2Br)CC1 ZINC000424796297 563392214 /nfs/dbraw/zinc/39/22/14/563392214.db2.gz QHASNACPTPMTLJ-DOTOQJQBSA-N 1 0 384.293 2.883 20 0 GFADRO Cc1cc(Br)c(F)cc1NC(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000375223960 563395949 /nfs/dbraw/zinc/39/59/49/563395949.db2.gz HOXVEPAKJKIBAS-RYUDHWBXSA-N 1 0 386.265 2.881 20 0 GFADRO COCC(=O)N1CCN(c2c(C)c(C)[nH+]c3ccc(Br)cc32)CC1 ZINC000301336917 563400843 /nfs/dbraw/zinc/40/08/43/563400843.db2.gz DIQQEWXAULGVCU-UHFFFAOYSA-N 1 0 392.297 2.909 20 0 GFADRO C[C@H](CNc1ccc(S(N)(=O)=O)c(C(F)(F)F)c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000301433949 563403803 /nfs/dbraw/zinc/40/38/03/563403803.db2.gz LLKQTIDRNMJKSV-VXGBXAGGSA-N 1 0 379.448 2.885 20 0 GFADRO CN(CC[NH+](C)C)c1ccc(Br)cc1NC(=O)c1cncc(O)c1 ZINC000425097962 563404200 /nfs/dbraw/zinc/40/42/00/563404200.db2.gz JKMHOAYYXLNAPM-UHFFFAOYSA-N 1 0 393.285 2.800 20 0 GFADRO C[C@@H]1C[C@H](C(=O)Nc2cc(Br)ccc2N(C)CC[NH+](C)C)CO1 ZINC000425097526 563404770 /nfs/dbraw/zinc/40/47/70/563404770.db2.gz ICZPTQJYAGHDHY-OLZOCXBDSA-N 1 0 384.318 2.810 20 0 GFADRO C[C@@H](C(=O)Nc1cc(Br)ccc1N(C)CC[NH+](C)C)n1cccn1 ZINC000425099078 563404789 /nfs/dbraw/zinc/40/47/89/563404789.db2.gz NUOMSWCRBCURPY-ZDUSSCGKSA-N 1 0 394.317 2.843 20 0 GFADRO C[C@H]1C[N@H+](CCCNC(=O)c2cc(Br)cc3[nH]cnc32)CCCO1 ZINC000282392446 563409494 /nfs/dbraw/zinc/40/94/94/563409494.db2.gz ZMHBTVQOPDRGSH-LBPRGKRZSA-N 1 0 395.301 2.556 20 0 GFADRO CN(Cc1cccc(Br)c1)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000282401121 563409827 /nfs/dbraw/zinc/40/98/27/563409827.db2.gz XIBKZSXIORIHNO-UHFFFAOYSA-N 1 0 397.361 2.617 20 0 GFADRO COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@@H](C)[N@@H+]2C[C@H](O)c2ccc(Br)cc2)O1 ZINC000282419701 563410786 /nfs/dbraw/zinc/41/07/86/563410786.db2.gz JGIDSQFGQRYSPT-AXMLXZGRSA-N 1 0 398.297 2.666 20 0 GFADRO C[N@@H+]1C[C@@H]2CCCN(S(=O)(=O)c3ccc(Cl)c(Br)c3)[C@@H]2C1 ZINC000425215601 563411962 /nfs/dbraw/zinc/41/19/62/563411962.db2.gz OAYUXRIOLSYPTD-IINYFYTJSA-N 1 0 393.734 2.817 20 0 GFADRO COc1cc2[nH+]ccc(N[C@H]3CC(=O)N(C4CC4)C3)c2cc1Br ZINC000425227313 563413238 /nfs/dbraw/zinc/41/32/38/563413238.db2.gz IXMFOHYORJHREE-JTQLQIEISA-N 1 0 376.254 2.603 20 0 GFADRO COc1cc2[nH+]ccc(NC[C@H](C)c3nncn3C)c2cc1Br ZINC000425259393 563415425 /nfs/dbraw/zinc/41/54/25/563415425.db2.gz VJIXMHOTZAXMSR-JTQLQIEISA-N 1 0 376.258 2.772 20 0 GFADRO COCc1cccc(C[NH2+]C[C@@H]2CCN(S(=O)(=O)c3cccs3)C2)c1 ZINC000375741525 563416579 /nfs/dbraw/zinc/41/65/79/563416579.db2.gz DWLRQUZWRDMBHE-KRWDZBQOSA-N 1 0 380.535 2.695 20 0 GFADRO CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@H+]1CC(=O)N(C)Cc1ccc(Cl)s1 ZINC000375819102 563419055 /nfs/dbraw/zinc/41/90/55/563419055.db2.gz YZBPPODTRSMALF-HZPDHXFCSA-N 1 0 383.945 2.835 20 0 GFADRO CS[C@H]1CC[C@@H]1[NH2+]CC(=O)Nc1ccc(I)cc1 ZINC000425388680 563419811 /nfs/dbraw/zinc/41/98/11/563419811.db2.gz WMTNDUWREDDVRB-RYUDHWBXSA-N 1 0 376.263 2.713 20 0 GFADRO NC(=O)N1CCC([NH2+]Cc2ccc(I)c(Cl)c2)CC1 ZINC000282660337 563420002 /nfs/dbraw/zinc/42/00/02/563420002.db2.gz LVWUWRPABXDRLY-UHFFFAOYSA-N 1 0 393.656 2.577 20 0 GFADRO C[C@@H]([NH2+]C[C@H]1CCN(S(=O)(=O)c2cccs2)C1)c1cccc(CO)c1 ZINC000375840547 563420498 /nfs/dbraw/zinc/42/04/98/563420498.db2.gz PSFAQCGRYDFJQC-GDBMZVCRSA-N 1 0 380.535 2.602 20 0 GFADRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(Cc2ccc(S(=O)(=O)N(C)C)s2)C1 ZINC000425417820 563421170 /nfs/dbraw/zinc/42/11/70/563421170.db2.gz NFDZBVYGTPYVDN-XHSDSOJGSA-N 1 0 385.599 2.836 20 0 GFADRO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000375930502 563424007 /nfs/dbraw/zinc/42/40/07/563424007.db2.gz GJVJHLCYKNQKKQ-SMDDNHRTSA-N 1 0 391.265 2.688 20 0 GFADRO O=C(N[C@H]1COc2c1ccc(Cl)c2Cl)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000376071025 563428580 /nfs/dbraw/zinc/42/85/80/563428580.db2.gz UQUMCPBPYCERGG-YGRLFVJLSA-N 1 0 381.263 2.978 20 0 GFADRO O=C(Nc1nc(C(F)(F)F)cs1)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000282903437 563429168 /nfs/dbraw/zinc/42/91/68/563429168.db2.gz FQFJLVPLITZLHH-LLVKDONJSA-N 1 0 378.420 2.738 20 0 GFADRO C[NH+]1CCC2(CCCN2C(=O)c2cn3ccc(Br)cc3n2)CC1 ZINC000376104433 563429915 /nfs/dbraw/zinc/42/99/15/563429915.db2.gz RXTJYYTWINDJFN-UHFFFAOYSA-N 1 0 377.286 2.797 20 0 GFADRO O=S(=O)(Cc1ccccc1C(F)(F)F)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000376129525 563430455 /nfs/dbraw/zinc/43/04/55/563430455.db2.gz LIMWRGXSJNYCJF-XJKSGUPXSA-N 1 0 376.444 2.999 20 0 GFADRO C[C@@H]([NH2+]CC1(OCCO)CCOCC1)c1ccc(F)c(Br)c1 ZINC000282964152 563431051 /nfs/dbraw/zinc/43/10/51/563431051.db2.gz ZVXJSJLYSJYBSX-GFCCVEGCSA-N 1 0 376.266 2.797 20 0 GFADRO CCN(CC)S(=O)(=O)c1ccc(CCNC(=[NH2+])N2CCC(C)CC2)s1 ZINC000303407338 563432995 /nfs/dbraw/zinc/43/29/95/563432995.db2.gz SGBAQWUYSUTMDD-UHFFFAOYSA-N 1 0 386.587 2.577 20 0 GFADRO CC1(C)[NH2+]CC[C@@H]1NC(=O)c1cc(Cl)ccc1I ZINC000307897601 563435115 /nfs/dbraw/zinc/43/51/15/563435115.db2.gz NHXSPCKXIIIQCI-NSHDSACASA-N 1 0 378.641 2.815 20 0 GFADRO Cc1cccc(C(=O)N(C)[C@@H]2C[NH+]3CCC2CC3)c1I ZINC000312290585 563436132 /nfs/dbraw/zinc/43/61/32/563436132.db2.gz AXKWWZWFFYDFMC-CQSZACIVSA-N 1 0 384.261 2.766 20 0 GFADRO C[NH+](C)CCNC(=O)c1ccc(CNC(=O)Cc2ccc(Cl)s2)cc1 ZINC000283137107 563436821 /nfs/dbraw/zinc/43/68/21/563436821.db2.gz IMEJIHDXVALNHK-UHFFFAOYSA-N 1 0 379.913 2.552 20 0 GFADRO Cn1cc(CN[C@H]2CCS(=O)(=O)c3c(F)cccc32)c(C(F)(F)F)n1 ZINC000376319487 563437330 /nfs/dbraw/zinc/43/73/30/563437330.db2.gz PIZMTTPWXZZEFW-LBPRGKRZSA-N 1 0 377.363 2.586 20 0 GFADRO CCOC(=O)[C@@H](C)[C@H](C)[NH2+]CC(=O)N(C)Cc1cc(Br)cs1 ZINC000283172148 563437540 /nfs/dbraw/zinc/43/75/40/563437540.db2.gz POIYYJSBIDDIPQ-QWRGUYRKSA-N 1 0 391.331 2.646 20 0 GFADRO Cc1ccc(CN2C(=O)N[C@]3(CCCC[C@@H]3C[NH3+])C2=O)cc1Br ZINC000314575857 563439506 /nfs/dbraw/zinc/43/95/06/563439506.db2.gz PPHHONYGTRMDOW-DYVFJYSZSA-N 1 0 380.286 2.697 20 0 GFADRO CC(C)[N@H+](C)CC1CCN(S(=O)(=O)c2cncc(Br)c2)CC1 ZINC000314818148 563439881 /nfs/dbraw/zinc/43/98/81/563439881.db2.gz OORXQCCTBNMWHF-UHFFFAOYSA-N 1 0 390.347 2.585 20 0 GFADRO O=C(N[C@@H]1CCC[NH2+]CC1)[C@@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl ZINC000376389523 563440606 /nfs/dbraw/zinc/44/06/06/563440606.db2.gz XDCVCVNPRKYJKN-CJNGLKHVSA-N 1 0 384.307 2.856 20 0 GFADRO [NH3+]C[C@H]1c2ccccc2CCN1S(=O)(=O)c1ccc(Br)cc1 ZINC000317225797 563442574 /nfs/dbraw/zinc/44/25/74/563442574.db2.gz CISKNSXSVYXGHI-INIZCTEOSA-N 1 0 381.295 2.696 20 0 GFADRO C[C@H]1OCC[C@@]1(O)C[NH2+]Cc1ccc(OC(F)(F)F)c(Br)c1 ZINC000318677351 563444044 /nfs/dbraw/zinc/44/40/44/563444044.db2.gz MSMPSZLMPYQQET-NOZJJQNGSA-N 1 0 384.192 2.977 20 0 GFADRO O=C(NCC(F)(F)F)[C@@H]1CC[N@H+](Cc2cc(Cl)c3c(c2)OCCO3)C1 ZINC000426145863 563445103 /nfs/dbraw/zinc/44/51/03/563445103.db2.gz OOAODHFFBLCWPA-LLVKDONJSA-N 1 0 378.778 2.612 20 0 GFADRO Cc1cc(NC(=O)C(=O)N2CCC[N@@H+](C(C)C)CC2)cc(C)c1Br ZINC000426166340 563445550 /nfs/dbraw/zinc/44/55/50/563445550.db2.gz DKRLLSAYEKUGGM-UHFFFAOYSA-N 1 0 396.329 2.947 20 0 GFADRO O=C(c1cc(Br)cc2nc[nH]c21)N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000376570586 563446623 /nfs/dbraw/zinc/44/66/23/563446623.db2.gz LAJWCOSHDJOXTM-PJODQICGSA-N 1 0 389.297 2.882 20 0 GFADRO CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)Nc1cc(C)c(Br)c(C)c1 ZINC000426282963 563447920 /nfs/dbraw/zinc/44/79/20/563447920.db2.gz LGCDOCRUWZLYSQ-HNNXBMFYSA-N 1 0 396.329 2.995 20 0 GFADRO COc1cc([C@@H](C)[NH2+]CCc2nnc(C(C)C)s2)ccc1S(C)(=O)=O ZINC000426312553 563448801 /nfs/dbraw/zinc/44/88/01/563448801.db2.gz JZUZFCSDJKFZTD-GFCCVEGCSA-N 1 0 383.539 2.967 20 0 GFADRO O=C(CN1CCC[C@H]([C@H]2CCC[NH2+]2)C1)Nc1ccc(Br)cc1F ZINC000322111838 563449191 /nfs/dbraw/zinc/44/91/91/563449191.db2.gz OYFBRHPORKAIKS-SWLSCSKDSA-N 1 0 384.293 2.991 20 0 GFADRO C[C@](CO)([NH2+]C[C@H](O)COc1ccc(Br)cc1)c1ccccc1 ZINC000322484174 563450191 /nfs/dbraw/zinc/45/01/91/563450191.db2.gz DEHYNYZQBNZCRW-FUHWJXTLSA-N 1 0 380.282 2.686 20 0 GFADRO CC[NH+]1CCN([C@H](C)CNC(=O)c2c(F)ccc(C)c2Br)CC1 ZINC000426451488 563451255 /nfs/dbraw/zinc/45/12/55/563451255.db2.gz QSEPIHJDQINVOV-CYBMUJFWSA-N 1 0 386.309 2.652 20 0 GFADRO O=c1cc(CN2CCCC[C@H]2[C@H]2CCC[NH2+]2)nc2ccc(Br)cn12 ZINC000324817564 563453173 /nfs/dbraw/zinc/45/31/73/563453173.db2.gz VDUIETRNWLTABD-CVEARBPZSA-N 1 0 391.313 2.564 20 0 GFADRO CCS(=O)(=O)c1ccc(Cl)c(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1 ZINC000376779203 563454145 /nfs/dbraw/zinc/45/41/45/563454145.db2.gz OYJOBLUSNKXEAB-AGUYFDCRSA-N 1 0 384.929 2.879 20 0 GFADRO O=S(=O)(c1ccccc1OC(F)(F)F)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000326601005 563455142 /nfs/dbraw/zinc/45/51/42/563455142.db2.gz AHGGSXLFSUIAKE-QWHCGFSZSA-N 1 0 378.416 2.738 20 0 GFADRO O=C(NCCCn1cc(Br)cn1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000377041731 563461501 /nfs/dbraw/zinc/46/15/01/563461501.db2.gz ISUDXONNEVHBGH-INIZCTEOSA-N 1 0 398.349 2.696 20 0 GFADRO CSC1(CNC(=O)[C@](C)(O)CSc2cccc(F)c2)CC[NH+](C)CC1 ZINC000427215234 563462638 /nfs/dbraw/zinc/46/26/38/563462638.db2.gz JKEONYZXWDJAOL-QGZVFWFLSA-N 1 0 386.558 2.612 20 0 GFADRO CN1CC[C@@H](NS(=O)(=O)c2cncc(F)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000328825937 563466162 /nfs/dbraw/zinc/46/61/62/563466162.db2.gz JDEVRCLGWLREQQ-CVEARBPZSA-N 1 0 387.839 2.737 20 0 GFADRO Cc1nc(NC(=O)C(=O)NC[C@@H]2CC[N@@H+](C)[C@H]2c2cccs2)sc1C ZINC000377209082 563466861 /nfs/dbraw/zinc/46/68/61/563466861.db2.gz VIDGTDALVREVDW-GXTWGEPZSA-N 1 0 378.523 2.569 20 0 GFADRO Cc1[nH]c(=O)c(C(=O)NC2CC[NH+](C3CCCC3)CC2)cc1Br ZINC000427436472 563467269 /nfs/dbraw/zinc/46/72/69/563467269.db2.gz TXJAJNNPFPRNSL-UHFFFAOYSA-N 1 0 382.302 2.995 20 0 GFADRO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1CSCN1C(=O)c1ccc(Cl)cc1 ZINC000427486714 563468102 /nfs/dbraw/zinc/46/81/02/563468102.db2.gz KUUUJXFERPTIGE-CJNGLKHVSA-N 1 0 383.945 2.700 20 0 GFADRO C[C@H](Cn1cc(Br)cn1)[NH2+]C[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000377258974 563468690 /nfs/dbraw/zinc/46/86/90/563468690.db2.gz ULMCGHPKRVROBJ-KMFMINBZSA-N 1 0 378.318 2.712 20 0 GFADRO O[C@]1(Cn2ccnn2)CCC[N@@H+]([C@@H]2CCCc3ccc(Br)cc32)C1 ZINC000328953639 563468821 /nfs/dbraw/zinc/46/88/21/563468821.db2.gz OFDXHEIEKIJUNI-QZTJIDSGSA-N 1 0 391.313 2.945 20 0 GFADRO C[C@H]1CCC[N@@H+]1C1CCN(C(=O)Cc2cc[nH]c(=O)c2Br)CC1 ZINC000377261077 563469389 /nfs/dbraw/zinc/46/93/89/563469389.db2.gz HDROOEXZAKIVJZ-LBPRGKRZSA-N 1 0 382.302 2.568 20 0 GFADRO COC(=O)c1ccc(C[NH2+]CC[S@](=O)C(C)(C)C)c(Br)c1 ZINC000284402230 563474006 /nfs/dbraw/zinc/47/40/06/563474006.db2.gz PWCLKSLGFOMPQO-NRFANRHFSA-N 1 0 376.316 2.873 20 0 GFADRO Cc1cc(NC(=O)C(=O)NCC2C[C@H]3CC[C@@H](C2)[N@H+]3C)ccc1Br ZINC000377444971 563475327 /nfs/dbraw/zinc/47/53/27/563475327.db2.gz MFVYUMVKJMQKNU-LQDVMPOASA-N 1 0 394.313 2.685 20 0 GFADRO C[C@@H](CNC(=O)c1cc(Cl)cc(F)c1Br)N1CC[NH+](C)CC1 ZINC000284452114 563475335 /nfs/dbraw/zinc/47/53/35/563475335.db2.gz VTYFKMKBSQQKRB-JTQLQIEISA-N 1 0 392.700 2.607 20 0 GFADRO COC(=O)c1ccc(CN2CCOCC3(CCOCC3)C2)c(Br)c1 ZINC000284471733 563476570 /nfs/dbraw/zinc/47/65/70/563476570.db2.gz VUTCGMGXVCHXMB-UHFFFAOYSA-N 1 0 398.297 2.865 20 0 GFADRO NC(=O)[C@@H]([NH2+][C@H]1CCN(c2ccccc2F)C1)c1cccc(Br)c1 ZINC000427826434 563476741 /nfs/dbraw/zinc/47/67/41/563476741.db2.gz LODXRJJPZLHOFH-YOEHRIQHSA-N 1 0 392.272 2.983 20 0 GFADRO NC(=O)[C@@H]([NH2+][C@H]1CCN(c2ccccc2F)C1)c1ccc(Br)cc1 ZINC000427834639 563477165 /nfs/dbraw/zinc/47/71/65/563477165.db2.gz KJEKANAMFZHFMY-YOEHRIQHSA-N 1 0 392.272 2.983 20 0 GFADRO O=C(NCc1cccc(Br)c1)NC[C@@H]1CCC[C@@H]1[NH+]1CCOCC1 ZINC000377553682 563478234 /nfs/dbraw/zinc/47/82/34/563478234.db2.gz QLJNSQUZVDNEQG-RDJZCZTQSA-N 1 0 396.329 2.749 20 0 GFADRO O=S(=O)(c1cc(Cl)ccc1OCC1CCC1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000427960379 563479002 /nfs/dbraw/zinc/47/90/02/563479002.db2.gz UNTBFUIMODTFOU-GDBMZVCRSA-N 1 0 384.929 2.891 20 0 GFADRO COc1cc(Br)c(S(=O)(=O)N[C@H](C)CCCC[NH3+])cc1Cl ZINC000427930139 563479067 /nfs/dbraw/zinc/47/90/67/563479067.db2.gz ISMFHHYSVVXLBC-SECBINFHSA-N 1 0 399.738 2.907 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccn(-c2cccc(Br)c2)n1 ZINC000377574815 563479448 /nfs/dbraw/zinc/47/94/48/563479448.db2.gz ISGAHBRVFSEEQQ-CABCVRRESA-N 1 0 389.297 2.991 20 0 GFADRO CS(=O)(=O)N1CC(C[NH2+][C@@H]2CCC[C@H]2c2ccc(C(F)(F)F)cc2)C1 ZINC000427978608 563479742 /nfs/dbraw/zinc/47/97/42/563479742.db2.gz DIDLZHDYBPEOQX-JKSUJKDBSA-N 1 0 376.444 2.823 20 0 GFADRO COc1ccc(Br)c(CN2CCC[C@@H](C[NH+]3CCN(C)CC3)C2)c1 ZINC000377621120 563480931 /nfs/dbraw/zinc/48/09/31/563480931.db2.gz GMSOKARHBUPVOU-INIZCTEOSA-N 1 0 396.373 2.917 20 0 GFADRO Cn1nccc1[C@H]1[C@H]([NH2+]Cc2ccc(Br)cc2)CCC(=O)N1C ZINC000284587316 563481670 /nfs/dbraw/zinc/48/16/70/563481670.db2.gz QAHJNZPHRAQEFK-RHSMWYFYSA-N 1 0 377.286 2.634 20 0 GFADRO C[C@H](CC[NH2+]Cc1c(Br)cncc1Br)[S@@](C)=O ZINC000394554309 563530386 /nfs/dbraw/zinc/53/03/86/563530386.db2.gz GFJPOPZXDHBPGC-CQLKUDPESA-N 1 0 384.137 2.853 20 0 GFADRO CCCCOCCNC(=O)C[NH2+][C@H](c1cncc(Br)c1)C1CC1 ZINC000284732632 563488275 /nfs/dbraw/zinc/48/82/75/563488275.db2.gz KLBQBFOEBFECSN-KRWDZBQOSA-N 1 0 384.318 2.818 20 0 GFADRO O[C@@H]1CCOC[C@H]1[C@@H]1CCC[N@@H+]1Cc1nc2ccc(Br)cc2o1 ZINC000329824453 563489128 /nfs/dbraw/zinc/48/91/28/563489128.db2.gz QPAVHDQFDSGOGB-AEGPPILISA-N 1 0 381.270 2.952 20 0 GFADRO CC(C)c1nn(C)c(Cl)c1C[NH2+]C1CCC(N2CCCS2(=O)=O)CC1 ZINC000377965017 563492564 /nfs/dbraw/zinc/49/25/64/563492564.db2.gz XATAIZQDJBLNEV-UHFFFAOYSA-N 1 0 388.965 2.633 20 0 GFADRO O=C(CSc1ccc(C(F)(F)F)cn1)N1CCN([C@@H]2CCSC2)CC1 ZINC000378030671 563493776 /nfs/dbraw/zinc/49/37/76/563493776.db2.gz HUYIORIRUBNXJM-CYBMUJFWSA-N 1 0 391.484 2.842 20 0 GFADRO CC(=O)c1cc(Br)ccc1OCC(=O)NCCC[NH+]1CCCC1 ZINC000284901111 563494085 /nfs/dbraw/zinc/49/40/85/563494085.db2.gz HEJBABSIKJMLTI-UHFFFAOYSA-N 1 0 383.286 2.633 20 0 GFADRO [NH3+]C[C@@H]1CCCN(C(=O)[C@H](c2ccc(Cl)cc2Cl)N2CCOCC2)C1 ZINC000428515942 563495029 /nfs/dbraw/zinc/49/50/29/563495029.db2.gz LBVZBUJFCIKRGJ-GUYCJALGSA-N 1 0 386.323 2.564 20 0 GFADRO CC(C)[NH+]1CCC(NC(=O)CCCS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000284972628 563497379 /nfs/dbraw/zinc/49/73/79/563497379.db2.gz LRPBHVREYBSMAW-UHFFFAOYSA-N 1 0 386.945 2.883 20 0 GFADRO COCC[C@@]1(C(=O)N[C@H](C)c2ccc(OC)c(Br)c2)CC[NH2+]C1 ZINC000378210182 563499112 /nfs/dbraw/zinc/49/91/12/563499112.db2.gz VRGHPVUUMKHSRE-PXAZEXFGSA-N 1 0 385.302 2.651 20 0 GFADRO C[C@H](NC(=O)C[N@@H+]1CC[C@H]([C@H]2CCOC2)C1)c1ccc(Br)cc1 ZINC000378235923 563499733 /nfs/dbraw/zinc/49/97/33/563499733.db2.gz XTLVSBGIMLIFNM-BPUTZDHNSA-N 1 0 381.314 2.985 20 0 GFADRO C[N@@H+]1CC[C@H]2CCN(C(=O)c3c(F)cccc3I)C[C@H]21 ZINC000378448721 563507329 /nfs/dbraw/zinc/50/73/29/563507329.db2.gz DODTWLQXCCKPFC-GXFFZTMASA-N 1 0 388.224 2.597 20 0 GFADRO CC[NH+]1CCN(C[C@H](C)CNS(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000330486758 563508316 /nfs/dbraw/zinc/50/83/16/563508316.db2.gz FRTFJXCUJXFRAW-CYBMUJFWSA-N 1 0 394.368 2.545 20 0 GFADRO Cc1cc(COc2ccc(C(=O)NC[C@@H]3CCC[NH2+]3)cc2Br)on1 ZINC000429090559 563509484 /nfs/dbraw/zinc/50/94/84/563509484.db2.gz BGOZFNAGFDJPRE-ZDUSSCGKSA-N 1 0 394.269 2.806 20 0 GFADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1[N-]S(=O)(=O)c1ccsc1 ZINC000285228955 563509883 /nfs/dbraw/zinc/50/98/83/563509883.db2.gz YPMHPEALYIJUGY-UHFFFAOYSA-N 1 0 381.523 2.699 20 0 GFADRO O=C(Cn1cc(Br)ccc1=O)Nc1cccc2c1C[N@@H+](C1CC1)C2 ZINC000378526135 563509907 /nfs/dbraw/zinc/50/99/07/563509907.db2.gz KIUGKAUMCYMQNX-UHFFFAOYSA-N 1 0 388.265 2.728 20 0 GFADRO CS(=O)(=O)Nc1c[nH]nc1[C@H]1CCC[N@H+](CCc2ccccc2Cl)C1 ZINC000378528708 563509988 /nfs/dbraw/zinc/50/99/88/563509988.db2.gz AMXFHIVVGJWDSP-AWEZNQCLSA-N 1 0 382.917 2.857 20 0 GFADRO CN(C[C@H]1CCC[N@H+](Cc2ccc(OC(F)(F)F)cc2)C1)S(C)(=O)=O ZINC000285236509 563510607 /nfs/dbraw/zinc/51/06/07/563510607.db2.gz BMGJFJFQOZHQCZ-CQSZACIVSA-N 1 0 380.432 2.689 20 0 GFADRO CCc1nc(C(=O)N2CC[C@@H]([NH3+])[C@@H](C)C2)nn1-c1c(Cl)cccc1Cl ZINC000429156645 563510887 /nfs/dbraw/zinc/51/08/87/563510887.db2.gz LSALOCGECCCUCJ-GXFFZTMASA-N 1 0 382.295 2.946 20 0 GFADRO CS(=O)(=O)NCC1CCN(Cc2csc(-c3ccc(F)cc3)n2)CC1 ZINC000285257773 563511285 /nfs/dbraw/zinc/51/12/85/563511285.db2.gz BAUYVJIMFACWQV-UHFFFAOYSA-N 1 0 383.514 2.710 20 0 GFADRO C[C@@H]1C[N@H+](C)[C@H](C)CN1Cc1csc(-c2ccc(S(C)(=O)=O)cc2)n1 ZINC000330592988 563512772 /nfs/dbraw/zinc/51/27/72/563512772.db2.gz PODIBBYPAGRSDW-ZIAGYGMSSA-N 1 0 379.551 2.738 20 0 GFADRO O[C@H](COc1ccc(Br)cc1)C[N@@H+]1CCOC[C@H](C2CCC2)C1 ZINC000429263919 563513336 /nfs/dbraw/zinc/51/33/36/563513336.db2.gz AYWBYEJMYQBHRD-WBVHZDCISA-N 1 0 384.314 2.937 20 0 GFADRO CN1CCN(C(=O)CC[NH2+][C@@H]2c3cc(Br)ccc3CC2(C)C)CC1 ZINC000429272869 563513605 /nfs/dbraw/zinc/51/36/05/563513605.db2.gz LMHGVLLAHUBISO-GOSISDBHSA-N 1 0 394.357 2.826 20 0 GFADRO C[C@@H]1CN([C@H](C(N)=O)c2ccc(Br)cc2)CC[N@@H+](C2CCC2)C1 ZINC000429403764 563516397 /nfs/dbraw/zinc/51/63/97/563516397.db2.gz TXYFMDMLRGVFKN-GUYCJALGSA-N 1 0 380.330 2.782 20 0 GFADRO C[NH2+]C[C@@H]1CCN(C(=O)C2(c3ccc(Br)cc3)CCOCC2)C1 ZINC000429457749 563516781 /nfs/dbraw/zinc/51/67/81/563516781.db2.gz URBOTNJNQCYGLP-AWEZNQCLSA-N 1 0 381.314 2.565 20 0 GFADRO Cc1nc(-c2ccccc2)sc1[C@@H](C)[NH2+]CCNS(=O)(=O)NC(C)C ZINC000429453360 563517047 /nfs/dbraw/zinc/51/70/47/563517047.db2.gz OQSNRDDNWVGKGC-CYBMUJFWSA-N 1 0 382.555 2.602 20 0 GFADRO C[C@H]([NH3+])c1ccc(CNC(=O)c2cc(Br)cnc2N(C)C)cc1 ZINC000429488612 563517769 /nfs/dbraw/zinc/51/77/69/563517769.db2.gz JTMAFLZGKYXIKZ-NSHDSACASA-N 1 0 377.286 2.860 20 0 GFADRO C[N@H+](CCCNC(=O)C1CCC1)C[C@@H](O)COc1cc(Cl)ccc1Cl ZINC000429547177 563518464 /nfs/dbraw/zinc/51/84/64/563518464.db2.gz KSGDCRAYGWKQEF-OAHLLOKOSA-N 1 0 389.323 2.971 20 0 GFADRO Cc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3CC(=O)N(C)C)ccc1Br ZINC000285400361 563518621 /nfs/dbraw/zinc/51/86/21/563518621.db2.gz FBWGGSQQOIIYJW-ALOPSCKCSA-N 1 0 394.357 2.931 20 0 GFADRO C[C@H](CC[NH3+])NC(=O)c1cc(Br)ccc1I ZINC000390295373 563522853 /nfs/dbraw/zinc/52/28/53/563522853.db2.gz ANLYOQJGZQVFGM-SSDOTTSWSA-N 1 0 397.054 2.521 20 0 GFADRO [NH3+]C[C@@H]1CCCC[C@]12NC(=O)N(Cc1ccc(F)cc1Br)C2=O ZINC000390892414 563523565 /nfs/dbraw/zinc/52/35/65/563523565.db2.gz CPDOODGIQCTNKR-ZBEGNZNMSA-N 1 0 384.249 2.528 20 0 GFADRO C[C@H]1C[C@@H](NS(=O)(=O)c2cc(Cl)ccc2Br)CC[N@@H+]1C ZINC000429814029 563523606 /nfs/dbraw/zinc/52/36/06/563523606.db2.gz KUHPCGNVWBXCHQ-ONGXEEELSA-N 1 0 381.723 2.864 20 0 GFADRO CC[N@H+](C)C[C@H]1CCN(C(=O)COc2ccc(Br)cc2C(C)=O)C1 ZINC000285522814 563524854 /nfs/dbraw/zinc/52/48/54/563524854.db2.gz BFOGIZRTGUSWPT-CQSZACIVSA-N 1 0 397.313 2.831 20 0 GFADRO COc1ccc(C[NH2+]CCC(=O)NCc2cccnc2)c(Br)c1 ZINC000285594717 563527786 /nfs/dbraw/zinc/52/77/86/563527786.db2.gz XUXGXTVAFMXOQS-UHFFFAOYSA-N 1 0 378.270 2.649 20 0 GFADRO CN(C(=O)c1ccc(F)cc1I)[C@@H]1C[NH+]2CCC1CC2 ZINC000394290923 563529612 /nfs/dbraw/zinc/52/96/12/563529612.db2.gz ZMYWKQPAKWEHNR-CQSZACIVSA-N 1 0 388.224 2.597 20 0 GFADRO CC(C)(C)OC(=O)Nc1ncc(C[NH2+]CC2(S(C)(=O)=O)CCCC2)s1 ZINC000285648403 563530109 /nfs/dbraw/zinc/53/01/09/563530109.db2.gz ZRYDADUXEVGGHO-UHFFFAOYSA-N 1 0 389.543 2.937 20 0 GFADRO C[C@@H]1OCC[C@@]1(O)C[NH2+]Cc1cc(Br)cc(Br)c1 ZINC000394617383 563530278 /nfs/dbraw/zinc/53/02/78/563530278.db2.gz JIHIRJNDLMGPGN-TVQRCGJNSA-N 1 0 379.092 2.841 20 0 GFADRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1[C@@H](C(N)=O)c1ccc(Br)cc1F ZINC000285645703 563530228 /nfs/dbraw/zinc/53/02/28/563530228.db2.gz RZODQEVHSYMRMQ-PVXIVEMSSA-N 1 0 384.293 2.673 20 0 GFADRO C[NH+](C)CCCC(C)(C)NC(=O)c1cc(I)ccc1O ZINC000395764356 563531085 /nfs/dbraw/zinc/53/10/85/563531085.db2.gz WWKOTPPWFUFWKH-UHFFFAOYSA-N 1 0 390.265 2.847 20 0 GFADRO CCCS(=O)(=O)N1CCC([NH2+]Cc2cccc(Br)c2F)CC1 ZINC000395017813 563530981 /nfs/dbraw/zinc/53/09/81/563530981.db2.gz PJKKHJYQOQAGJL-UHFFFAOYSA-N 1 0 393.322 2.882 20 0 GFADRO O=C(C[C@@H]1C[NH2+]CCO1)NCC1(c2ccc(Br)cc2)CCCC1 ZINC000429995351 563531079 /nfs/dbraw/zinc/53/10/79/563531079.db2.gz YWVDYIJXPDOIBL-MRXNPFEDSA-N 1 0 381.314 2.756 20 0 GFADRO C[C@@H]1C[C@H](C)N(C(=O)c2csc(I)c2)C[C@@H]1C[NH3+] ZINC000397247873 563531928 /nfs/dbraw/zinc/53/19/28/563531928.db2.gz BLGJPYVFSRBXAK-YWVKMMECSA-N 1 0 378.279 2.798 20 0 GFADRO O=C(NC1CC1)N[C@@H]1CCN(Cc2nc3cc(Br)ccc3o2)C1 ZINC000285697094 563532354 /nfs/dbraw/zinc/53/23/54/563532354.db2.gz RKXUBBNJXSHTLQ-GFCCVEGCSA-N 1 0 379.258 2.626 20 0 GFADRO C[NH+](C)C1(CNC(=O)c2ccc(I)c(Cl)c2)CC1 ZINC000397786827 563533033 /nfs/dbraw/zinc/53/30/33/563533033.db2.gz BLSNSFZNLSEZBP-UHFFFAOYSA-N 1 0 378.641 2.769 20 0 GFADRO COCC[N@@H+]1CCC[C@@H](NC(=O)c2cc(Br)ccc2Cl)C1 ZINC000398885895 563533656 /nfs/dbraw/zinc/53/36/56/563533656.db2.gz GICPDEKLLDCKGP-GFCCVEGCSA-N 1 0 375.694 2.943 20 0 GFADRO CS(=O)(=O)N1CCC[C@@H]([NH2+]C2CC(c3ccc(Br)cc3)C2)C1 ZINC000400231648 563534575 /nfs/dbraw/zinc/53/45/75/563534575.db2.gz MEKLXHXSYWWDDA-OGVSOVDVSA-N 1 0 387.343 2.709 20 0 GFADRO C[NH2+][C@H](C)c1cn(Cc2cc(Cl)ccc2I)nn1 ZINC000405274283 563538587 /nfs/dbraw/zinc/53/85/87/563538587.db2.gz WGKCALUBILASHW-MRVPVSSYSA-N 1 0 376.629 2.865 20 0 GFADRO COc1ccc(S(=O)(=O)N2CCC[C@H](C)[C@H]2CC[NH3+])cc1Br ZINC000405306884 563538742 /nfs/dbraw/zinc/53/87/42/563538742.db2.gz LDVNONQWWNEMLT-SMDDNHRTSA-N 1 0 391.331 2.596 20 0 GFADRO Cc1nc(S(=O)(=O)N(C)C2CC[NH+](C(C)C)CC2)sc1Br ZINC000408087092 563544081 /nfs/dbraw/zinc/54/40/81/563544081.db2.gz BVQFOUAVQIUBBQ-UHFFFAOYSA-N 1 0 396.376 2.707 20 0 GFADRO C[C@@H]1CC[NH2+][C@@H](C)[C@H]1NC(=O)c1cc(F)ccc1I ZINC000286000299 563545282 /nfs/dbraw/zinc/54/52/82/563545282.db2.gz ISZDSISTAGEMBG-ZDMBXUJBSA-N 1 0 376.213 2.547 20 0 GFADRO CCS[C@H]1CCC[C@H]1[NH2+]CC(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000285994343 563545354 /nfs/dbraw/zinc/54/53/54/563545354.db2.gz FZDKDZPJLULFNO-KGLIPLIRSA-N 1 0 392.493 2.885 20 0 GFADRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)Cc1cc[nH]c(=O)c1Br ZINC000331333982 563545660 /nfs/dbraw/zinc/54/56/60/563545660.db2.gz WKELIXVJBQYTHZ-UPJWGTAASA-N 1 0 384.318 2.575 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCCCN1Cc1csc(-c2ccc(S(C)(=O)=O)cc2)n1 ZINC000430600883 563546925 /nfs/dbraw/zinc/54/69/25/563546925.db2.gz IQBDKOKGIUGXDZ-GUYCJALGSA-N 1 0 379.551 2.915 20 0 GFADRO C[C@@H]1CC[NH2+][C@@H](C)[C@H]1NC(=O)c1nn(-c2ccc(F)cc2)cc1Br ZINC000286065122 563547067 /nfs/dbraw/zinc/54/70/67/563547067.db2.gz LZALXPSRGJHSRD-ZETOZRRWSA-N 1 0 395.276 2.890 20 0 GFADRO C[C@H](Cc1ccncc1)[NH2+][C@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430724938 563548264 /nfs/dbraw/zinc/54/82/64/563548264.db2.gz WDLUSRQNXCEGNG-VXGBXAGGSA-N 1 0 398.326 2.773 20 0 GFADRO CCCN(C(=O)[C@@H](C)NC(=O)c1ccc(Br)cc1)C1CC[NH2+]CC1 ZINC000430834454 563549580 /nfs/dbraw/zinc/54/95/80/563549580.db2.gz XFNOSAHGFTYCLU-CYBMUJFWSA-N 1 0 396.329 2.558 20 0 GFADRO CCS(=O)(=O)NCCC[N@@H+]1CCCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000331465102 563550592 /nfs/dbraw/zinc/55/05/92/563550592.db2.gz GJLNVEKJMURBJG-UHFFFAOYSA-N 1 0 394.368 2.835 20 0 GFADRO O=S(=O)(c1ccc(Br)c(Cl)c1)N1CCC2(CC[NH2+]C2)CC1 ZINC000431038852 563552231 /nfs/dbraw/zinc/55/22/31/563552231.db2.gz FNEMFFXGNFARNM-UHFFFAOYSA-N 1 0 393.734 2.867 20 0 GFADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)c1[nH]ccc1-c1c(Cl)cccc1Cl ZINC000331557823 563552767 /nfs/dbraw/zinc/55/27/67/563552767.db2.gz IRNJLGWGHQLKPJ-LBPRGKRZSA-N 1 0 381.307 2.964 20 0 GFADRO CC(C)([NH3+])c1noc(CN2CCO[C@H](c3cccc(Br)c3)C2)n1 ZINC000431091830 563553438 /nfs/dbraw/zinc/55/34/38/563553438.db2.gz VSOSMWVRIKGESO-ZDUSSCGKSA-N 1 0 381.274 2.599 20 0 GFADRO C[N@H+](CCn1cc(Br)cn1)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000409447778 563560803 /nfs/dbraw/zinc/56/08/03/563560803.db2.gz GFTFJMQGZKHHQB-MRXNPFEDSA-N 1 0 377.286 2.773 20 0 GFADRO C[C@@H](CC(=O)N1CCN(CC[NH+](C)C)CC1)c1ccc(Br)cc1 ZINC000431512674 563562202 /nfs/dbraw/zinc/56/22/02/563562202.db2.gz QEOWSLCLURCWHK-HNNXBMFYSA-N 1 0 382.346 2.649 20 0 GFADRO CS(=O)(=O)NC[C@H]1CCC[N@H+](Cc2c(Cl)cccc2N2CCCC2)C1 ZINC000331884237 563565516 /nfs/dbraw/zinc/56/55/16/563565516.db2.gz FMAWCDLWXGDERT-OAHLLOKOSA-N 1 0 385.961 2.701 20 0 GFADRO C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)CC[C@H]1[NH3+] ZINC000331984807 563569722 /nfs/dbraw/zinc/56/97/22/563569722.db2.gz YEUQLEFDBYXTNR-HFBAOOFYSA-N 1 0 384.307 2.853 20 0 GFADRO C[NH+](C)C1(CNC(=O)N[C@H]2COc3cc(F)c(Br)cc32)CCC1 ZINC000409770393 563570689 /nfs/dbraw/zinc/57/06/89/563570689.db2.gz RZVRROHVPGIZRP-ZDUSSCGKSA-N 1 0 386.265 2.805 20 0 GFADRO CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)Nc1c(C)cc(C)cc1Br ZINC000431998536 563572859 /nfs/dbraw/zinc/57/28/59/563572859.db2.gz GKDBPMAMQVWMAC-AWEZNQCLSA-N 1 0 396.329 2.995 20 0 GFADRO CC[N@@H+]1CCN(CC(=O)Nc2c(F)cc(F)cc2Br)[C@@H](C)C1 ZINC000286752974 563573422 /nfs/dbraw/zinc/57/34/22/563573422.db2.gz YVNVBASJCRDZGQ-JTQLQIEISA-N 1 0 376.245 2.692 20 0 GFADRO O=C(CS(=O)(=O)c1ccc(Cl)cc1)N1CCC([NH+]2CCCCC2)CC1 ZINC000332054811 563573623 /nfs/dbraw/zinc/57/36/23/563573623.db2.gz MZEJROCQEQGKHE-UHFFFAOYSA-N 1 0 384.929 2.591 20 0 GFADRO C[C@H](CNC(=O)N[C@@H]1COc2cc(F)c(Br)cc21)[N@H+](C)C1CC1 ZINC000410067316 563580545 /nfs/dbraw/zinc/58/05/45/563580545.db2.gz UUTXLMUKTBXKJX-YMTOWFKASA-N 1 0 386.265 2.804 20 0 GFADRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)Nc3cccc(I)c3)C[C@H]21 ZINC000332158995 563580594 /nfs/dbraw/zinc/58/05/94/563580594.db2.gz KENKAXJDADXARJ-ZLKJLUDKSA-N 1 0 385.249 2.882 20 0 GFADRO C[C@@H]1C[N@H+](CCCNS(=O)(=O)c2cc(Cl)sc2Cl)CCCO1 ZINC000432340646 563581138 /nfs/dbraw/zinc/58/11/38/563581138.db2.gz NWSFQTZBOHKXPK-SNVBAGLBSA-N 1 0 387.354 2.834 20 0 GFADRO COc1ccc(C[NH2+][C@@H]2CCN(c3cccc(Br)c3)C2=O)cn1 ZINC000432334247 563581198 /nfs/dbraw/zinc/58/11/98/563581198.db2.gz FULJMOQJAIFXPP-OAHLLOKOSA-N 1 0 376.254 2.748 20 0 GFADRO Cc1cc(S(=O)(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)c(Cl)cc1F ZINC000432330486 563581447 /nfs/dbraw/zinc/58/14/47/563581447.db2.gz BINXGTIZZAOLCB-ZDUSSCGKSA-N 1 0 378.897 2.567 20 0 GFADRO COc1ccc([C@@H](C)[NH2+]C[C@H]2CCCS(=O)(=O)C2)c(Br)c1 ZINC000287212096 563591953 /nfs/dbraw/zinc/59/19/53/563591953.db2.gz WZFYKUASAQAVKP-VXGBXAGGSA-N 1 0 376.316 2.933 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)N[C@@H]1COc2cc(F)c(Br)cc21 ZINC000332322450 563592743 /nfs/dbraw/zinc/59/27/43/563592743.db2.gz ZXYJWZOXQSFAMS-CUOATXAZSA-N 1 0 386.265 2.933 20 0 GFADRO C[C@H](Cn1cc(Br)cn1)[NH2+]Cc1ccncc1OC[C@H]1CCOC1 ZINC000287342122 563597281 /nfs/dbraw/zinc/59/72/81/563597281.db2.gz NAWNXZIZQCUTPU-KGLIPLIRSA-N 1 0 395.301 2.634 20 0 GFADRO C[C@@H]([NH2+]CCCn1cc(Br)cn1)c1ccc2c(c1)OCC(=O)N2 ZINC000287408550 563600676 /nfs/dbraw/zinc/60/06/76/563600676.db2.gz RHZQGEASFNIOGI-LLVKDONJSA-N 1 0 379.258 2.717 20 0 GFADRO CN(Cc1c(Cl)cccc1Cl)C(=O)C(=O)N1CC[C@H]2CC[N@H+](C)C[C@H]21 ZINC000410974090 563600760 /nfs/dbraw/zinc/60/07/60/563600760.db2.gz ISWFXBMJTLWMIA-MLGOLLRUSA-N 1 0 384.307 2.504 20 0 GFADRO COC(=O)c1coc(C[NH2+]C[C@@H](CO)Cc2ccc(Br)cc2)c1 ZINC000433039385 563601146 /nfs/dbraw/zinc/60/11/46/563601146.db2.gz LRMCOFBVIXLWCT-ZDUSSCGKSA-N 1 0 382.254 2.770 20 0 GFADRO C[C@H]1c2cc(Cl)c(Cl)cc2CCN1C(=O)C(=O)NC1CCC([NH3+])CC1 ZINC000332495111 563601567 /nfs/dbraw/zinc/60/15/67/563601567.db2.gz PUCPDZRXQDFNJJ-PKSQDBQZSA-N 1 0 384.307 2.825 20 0 GFADRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)N1CCc2c(Cl)cc(Cl)cc2[C@H]1C ZINC000332512991 563602532 /nfs/dbraw/zinc/60/25/32/563602532.db2.gz VONAMMMPOYLNMX-UVWXRNBGSA-N 1 0 384.307 2.553 20 0 GFADRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)N1CCC(Oc2cccc(Br)c2)CC1 ZINC000332513371 563602611 /nfs/dbraw/zinc/60/26/11/563602611.db2.gz FPSJCSVLNPFRIG-GUYCJALGSA-N 1 0 396.329 3.000 20 0 GFADRO COC(=O)c1cc(NC(=O)N[C@H](C)CC[NH+](C)C)cc(Br)c1F ZINC000433124184 563603963 /nfs/dbraw/zinc/60/39/63/563603963.db2.gz AEOOROLUHJWZIY-SECBINFHSA-N 1 0 390.253 2.837 20 0 GFADRO C[C@H]([NH2+]C[C@@H]1CCOC[C@@H]1C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000287551481 563607306 /nfs/dbraw/zinc/60/73/06/563607306.db2.gz PTHGVJFDZSWCLZ-DCAQKATOSA-N 1 0 381.325 2.964 20 0 GFADRO CN(Cc1ccccc1Br)C(=O)C[N@@H+]1CC[C@@H](O)C12CCCC2 ZINC000433322463 563609453 /nfs/dbraw/zinc/60/94/53/563609453.db2.gz XQBGXIYBIAJRAP-MRXNPFEDSA-N 1 0 381.314 2.787 20 0 GFADRO O=C(CC[N@@H+]1CC[C@@H](C(=O)N2CCCC2)C1)Nc1cccc(Br)c1 ZINC000287602182 563609815 /nfs/dbraw/zinc/60/98/15/563609815.db2.gz YUUPKRMHRBSEHL-CQSZACIVSA-N 1 0 394.313 2.722 20 0 GFADRO Cc1ccc(F)c(Br)c1NC(=O)C(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000332656674 563610194 /nfs/dbraw/zinc/61/01/94/563610194.db2.gz ZQQDGZSBNOKPBD-RYUDHWBXSA-N 1 0 398.276 2.530 20 0 GFADRO C[C@@H]1CCN(C(=O)Nc2ccc3nccnc3c2Br)[C@@H](C[NH3+])C1 ZINC000332657793 563610301 /nfs/dbraw/zinc/61/03/01/563610301.db2.gz ZSYSXHJIIXGLCM-GHMZBOCLSA-N 1 0 378.274 2.983 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(C)(C)S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000287637537 563611324 /nfs/dbraw/zinc/61/13/24/563611324.db2.gz GBQLGZMNAVWZPI-HUUCEWRRSA-N 1 0 386.945 2.881 20 0 GFADRO C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)Nc1nnc(-c2ccc(Cl)cc2F)s1 ZINC000332688034 563611731 /nfs/dbraw/zinc/61/17/31/563611731.db2.gz UMXISXWYTJZSAJ-UWVGGRQHSA-N 1 0 383.880 3.554 20 0 GFADRO Cc1cc(S(=O)(=O)N2CCN(C3CC[NH+](C(C)C)CC3)CC2)c(C)s1 ZINC000433495951 563614566 /nfs/dbraw/zinc/61/45/66/563614566.db2.gz CCCAQSQBXMQMRB-UHFFFAOYSA-N 1 0 385.599 2.544 20 0 GFADRO C[NH+](C)[C@H]1CCCN(S(=O)(=O)c2cc(Br)sc2Cl)C1 ZINC000433646924 563616840 /nfs/dbraw/zinc/61/68/40/563616840.db2.gz URAOEEWZCKBQOS-QMMMGPOBSA-N 1 0 387.752 2.879 20 0 GFADRO CS[C@H]1C[N@H+](CCC(=O)Nc2ccc(Br)cc2)C[C@@H]1N(C)C ZINC000411426309 563618908 /nfs/dbraw/zinc/61/89/08/563618908.db2.gz PKSDDTCDDFPUOA-GJZGRUSLSA-N 1 0 386.359 2.755 20 0 GFADRO C[NH+](C)[C@@]1(CNC(=O)Cc2cc(F)ccc2Br)CCSC1 ZINC000434019764 563624488 /nfs/dbraw/zinc/62/44/88/563624488.db2.gz BHCAKZOPNNPTHZ-OAHLLOKOSA-N 1 0 375.307 2.684 20 0 GFADRO O=C(Nc1nnc(-c2c(F)cccc2Cl)s1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000333300111 563627402 /nfs/dbraw/zinc/62/74/02/563627402.db2.gz KGVDVNXEIKPPDV-BXKDBHETSA-N 1 0 381.864 3.213 20 0 GFADRO Cc1ccc(NC(=O)C(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1Br ZINC000288071913 563628281 /nfs/dbraw/zinc/62/82/81/563628281.db2.gz KJGCEGKKLRLSPS-YIONKMFJSA-N 1 0 394.313 2.780 20 0 GFADRO Cc1nc2cc(Br)cc(NC(=O)N3CC[C@H]4C[NH2+]C[C@H]4C3)c2o1 ZINC000333373230 563629234 /nfs/dbraw/zinc/62/92/34/563629234.db2.gz VHZWTYSWIJWUHY-QWRGUYRKSA-N 1 0 379.258 2.972 20 0 GFADRO Cc1cc(Br)cc(NC(=O)C(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000288107110 563629427 /nfs/dbraw/zinc/62/94/27/563629427.db2.gz MPENKUKBGDIBMQ-XYPWUTKMSA-N 1 0 394.313 2.780 20 0 GFADRO CC1(C)Cc2c(cccc2Br)[C@H]1[NH2+]CC(=O)NC[C@H]1CCCO1 ZINC000411754291 563632736 /nfs/dbraw/zinc/63/27/36/563632736.db2.gz DVHNGQMLUXMAPZ-SJKOYZFVSA-N 1 0 381.314 2.957 20 0 GFADRO O=C(NCc1cc2cc(Br)ccc2[nH]1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000333480139 563634082 /nfs/dbraw/zinc/63/40/82/563634082.db2.gz BIZASPHDNUVVDI-IAQYHMDHSA-N 1 0 377.286 2.824 20 0 GFADRO C[C@@H]1CN(CC[N@H+](C)C[C@@H](O)COc2cc(Cl)ccc2Cl)C[C@H](C)O1 ZINC000434700706 563635092 /nfs/dbraw/zinc/63/50/92/563635092.db2.gz WDZJBAOGBMNGNQ-IJEWVQPXSA-N 1 0 391.339 2.774 20 0 GFADRO C[C@H]1Cc2cc(S(=O)(=O)N3CC4(C[C@@H]3C)CC[NH2+]CC4)cc(Cl)c2O1 ZINC000333568264 563635908 /nfs/dbraw/zinc/63/59/08/563635908.db2.gz MBHKVPBOKIWDRE-STQMWFEESA-N 1 0 384.929 2.816 20 0 GFADRO C[C@H](C(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+])c1ccc(Cl)c(Cl)c1 ZINC000434711623 563636388 /nfs/dbraw/zinc/63/63/88/563636388.db2.gz QGOPITIMNBVREG-JSGCOSHPSA-N 1 0 386.323 2.943 20 0 GFADRO Cc1cc(C)c(NC(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)c(Br)c1 ZINC000333614297 563636599 /nfs/dbraw/zinc/63/65/99/563636599.db2.gz SKUUERZYRNYXNQ-DZGCQCFKSA-N 1 0 392.301 2.758 20 0 GFADRO [NH3+][C@@H]1CCO[C@H](C2CCN(S(=O)(=O)c3ccc(C(F)(F)F)s3)CC2)C1 ZINC000333645305 563638065 /nfs/dbraw/zinc/63/80/65/563638065.db2.gz IXRFZLOLCCCGTI-NEPJUHHUSA-N 1 0 398.472 2.674 20 0 GFADRO O=C(NCc1cc2cc(Br)ccc2[nH]1)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000333652952 563638096 /nfs/dbraw/zinc/63/80/96/563638096.db2.gz WBCAPRYRGBKNIX-AAEUAGOBSA-N 1 0 377.286 2.681 20 0 GFADRO O=C(c1ccc(Br)cc1F)N1CCC(n2ncc3c2C[NH2+]C3)CC1 ZINC000333651847 563638167 /nfs/dbraw/zinc/63/81/67/563638167.db2.gz ZCJYEJCBUTYCOB-UHFFFAOYSA-N 1 0 393.260 2.865 20 0 GFADRO [NH3+][C@@H]1CCCO[C@H]1C1CCN(S(=O)(=O)Cc2ccc(Cl)c(F)c2)CC1 ZINC000333686967 563639409 /nfs/dbraw/zinc/63/94/09/563639409.db2.gz PIVXQXALRYQPPL-SJORKVTESA-N 1 0 390.908 2.527 20 0 GFADRO CC[NH+](CC)[C@H]1CCN(c2c(Br)cccc2S(C)(=O)=O)C1 ZINC000288346014 563639501 /nfs/dbraw/zinc/63/95/01/563639501.db2.gz JZJUMMKYEZRDOQ-LBPRGKRZSA-N 1 0 375.332 2.773 20 0 GFADRO CN(C(=O)N[C@@H]1COc2cc(F)c(Br)cc21)[C@H]1CCC[NH2+]CC1 ZINC000333723382 563640681 /nfs/dbraw/zinc/64/06/81/563640681.db2.gz GVLOZBZEPXININ-IINYFYTJSA-N 1 0 386.265 2.805 20 0 GFADRO [NH3+][C@H]1CCCO[C@H]1C1CCN(S(=O)(=O)c2csc3ccccc32)CC1 ZINC000333754116 563641081 /nfs/dbraw/zinc/64/10/81/563641081.db2.gz ZMFNNZUBFZDSTJ-YJBOKZPZSA-N 1 0 380.535 2.808 20 0 GFADRO Cc1c(Br)ccc(NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC3)C2)c1F ZINC000435018928 563641640 /nfs/dbraw/zinc/64/16/40/563641640.db2.gz ZHZVCRKGTHEGQC-LBPRGKRZSA-N 1 0 398.276 2.530 20 0 GFADRO C[C@@H]1Cc2cc(S(=O)(=O)N3CCCC[C@@H]3[C@H]3CC[NH2+]C3)cc(Cl)c2O1 ZINC000333813584 563642635 /nfs/dbraw/zinc/64/26/35/563642635.db2.gz GBWGFGNECKGAQF-IIYDPXPESA-N 1 0 384.929 2.816 20 0 GFADRO O=C(NCc1cc2cc(Br)ccc2[nH]1)N1CCC2(CC[NH2+]2)CC1 ZINC000333831605 563642907 /nfs/dbraw/zinc/64/29/07/563642907.db2.gz MPWVTOYIGZILNW-UHFFFAOYSA-N 1 0 377.286 2.968 20 0 GFADRO C[C@H]1CCCCN1S(=O)(=O)N(Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000333853445 563643981 /nfs/dbraw/zinc/64/39/81/563643981.db2.gz OBTOZLPTTSTZOM-RDJZCZTQSA-N 1 0 383.583 2.811 20 0 GFADRO Cc1c(Br)cc(-c2nc(CC34CCC[NH+]3CCC4)no2)c(=O)n1C ZINC000333881842 563644455 /nfs/dbraw/zinc/64/44/55/563644455.db2.gz USPTZQOHJHAICG-UHFFFAOYSA-N 1 0 393.285 2.677 20 0 GFADRO Cc1cccc(S(=O)(=O)NCC[NH+]2CCC(C)CC2)c1Br ZINC000435214021 563645503 /nfs/dbraw/zinc/64/55/03/563645503.db2.gz CXFSPTDPFWUTMM-UHFFFAOYSA-N 1 0 375.332 2.768 20 0 GFADRO CNC(=O)NC1CC[NH+](Cc2cc(Br)cc3cccnc32)CC1 ZINC000412053020 563645824 /nfs/dbraw/zinc/64/58/24/563645824.db2.gz HFEWVWUKACBELH-UHFFFAOYSA-N 1 0 377.286 2.891 20 0 GFADRO COc1ccc([C@H](C)NC(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1Br ZINC000333926231 563646028 /nfs/dbraw/zinc/64/60/28/563646028.db2.gz VGRCZDOYTBAYAQ-FPMFFAJLSA-N 1 0 382.302 2.770 20 0 GFADRO C[C@@H]1[C@@H](CO)CCC[N@@H+]1C[C@H](O)COc1ccc(Cl)cc1Br ZINC000412077186 563646449 /nfs/dbraw/zinc/64/64/49/563646449.db2.gz JSLWMTWSAZEBAR-BZPMIXESSA-N 1 0 392.721 2.935 20 0 GFADRO CC(C)[N@@H+](CC(=O)NCCc1cccc(Cl)c1Cl)C[C@@H]1CCC(=O)N1 ZINC000412070774 563646741 /nfs/dbraw/zinc/64/67/41/563646741.db2.gz HMHHYISBBMMSEF-AWEZNQCLSA-N 1 0 386.323 2.641 20 0 GFADRO O=C(c1cc(Cl)ccc1I)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000435248457 563646850 /nfs/dbraw/zinc/64/68/50/563646850.db2.gz OORUXNJWMJNBAW-NSHDSACASA-N 1 0 390.652 2.911 20 0 GFADRO CC(C)[N@@H+](CC(=O)NCCc1cccc(Cl)c1Cl)C[C@H]1CCC(=O)N1 ZINC000412070789 563646784 /nfs/dbraw/zinc/64/67/84/563646784.db2.gz HMHHYISBBMMSEF-CQSZACIVSA-N 1 0 386.323 2.641 20 0 GFADRO COC(=O)[C@H]1CSCC[N@H+](C[C@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000412062846 563647076 /nfs/dbraw/zinc/64/70/76/563647076.db2.gz BSRUAMLEWMTDMT-YPMHNXCESA-N 1 0 394.320 2.571 20 0 GFADRO CC(C)[N@H+](CCC(=O)Nc1cccc(Br)c1)C[C@H]1CCC(=O)N1 ZINC000412085827 563647652 /nfs/dbraw/zinc/64/76/52/563647652.db2.gz QYYLGAZCJGPLCJ-OAHLLOKOSA-N 1 0 382.302 2.767 20 0 GFADRO CCOC(=O)COc1c(Br)cc(C)cc1CN1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000435368836 563648978 /nfs/dbraw/zinc/64/89/78/563648978.db2.gz CENVZLCGQYHZHB-CZUORRHYSA-N 1 0 399.329 2.869 20 0 GFADRO CCOC(=O)COc1c(Br)cc(C)cc1CN1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000435368837 563649031 /nfs/dbraw/zinc/64/90/31/563649031.db2.gz CENVZLCGQYHZHB-XJKSGUPXSA-N 1 0 399.329 2.869 20 0 GFADRO CNc1cc(I)ccc1C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000412177410 563650093 /nfs/dbraw/zinc/65/00/93/563650093.db2.gz BBCXKLNIVSSWCE-BONVTDFDSA-N 1 0 399.276 2.545 20 0 GFADRO CC(C)C[C@@H](CNC(=O)[C@H]1CC(=O)Nc2ccc(Br)cc21)[NH+](C)C ZINC000435508457 563652910 /nfs/dbraw/zinc/65/29/10/563652910.db2.gz VKMZGDRBRFZPLT-ZFWWWQNUSA-N 1 0 396.329 2.967 20 0 GFADRO Cc1ncsc1CN(CC(=O)N(C)Cc1cccs1)C[C@H]1CC[NH2+]C1 ZINC000435722283 563657036 /nfs/dbraw/zinc/65/70/36/563657036.db2.gz MJWPRNGOVVSACC-HNNXBMFYSA-N 1 0 378.567 2.583 20 0 GFADRO CSC1(CN2C(=O)N[C@@H](Cc3cccc(Cl)c3)C2=O)CC[NH+](C)CC1 ZINC000348985143 563658608 /nfs/dbraw/zinc/65/86/08/563658608.db2.gz LMMHUWHOGPTZGI-HNNXBMFYSA-N 1 0 381.929 2.630 20 0 GFADRO C[NH+]1CCC(CNC(=O)c2cccc(Cl)c2Cl)(N2CCOCC2)CC1 ZINC000412475117 563658809 /nfs/dbraw/zinc/65/88/09/563658809.db2.gz MGEOCHXMFCKTIU-UHFFFAOYSA-N 1 0 386.323 2.520 20 0 GFADRO C[C@H](C[NH+]1CCOCC1)C(=O)NCc1cccc(Br)c1Cl ZINC000412484719 563659419 /nfs/dbraw/zinc/65/94/19/563659419.db2.gz DZSBQDVZJKPOPH-LLVKDONJSA-N 1 0 375.694 2.687 20 0 GFADRO O=C(N1CCO[C@H](c2ccc(Br)cc2)C1)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000435896061 563660308 /nfs/dbraw/zinc/66/03/08/563660308.db2.gz DRKZDUOSQYOBEP-UWWQBHOKSA-N 1 0 379.298 2.739 20 0 GFADRO C[NH+](C)[C@H]1CCN(c2ccc(NC(=O)c3ncsc3Br)nc2)C1 ZINC000288922237 563662208 /nfs/dbraw/zinc/66/22/08/563662208.db2.gz XKJOYBSBUCNRAW-NSHDSACASA-N 1 0 396.314 2.693 20 0 GFADRO O=S(=O)(NCC[NH2+]Cc1c[nH]nc1-c1ccsc1)c1cccc(Cl)c1 ZINC000436237634 563668406 /nfs/dbraw/zinc/66/84/06/563668406.db2.gz DEEKEIAUHMZVTL-UHFFFAOYSA-N 1 0 396.925 2.860 20 0 GFADRO O=C(Nc1cccc(C[N@H+]2CC[C@@H](O)C2)c1)c1cc(Br)ccc1O ZINC000436645929 563676380 /nfs/dbraw/zinc/67/63/80/563676380.db2.gz DMZBBFWVNARPJS-OAHLLOKOSA-N 1 0 391.265 2.974 20 0 GFADRO COc1ccc(CNC(=O)C[NH2+][C@@H](C)c2ccc(Br)nc2)cc1 ZINC000289598420 563679894 /nfs/dbraw/zinc/67/98/94/563679894.db2.gz FVVQJFDNZJYKCT-LBPRGKRZSA-N 1 0 378.270 2.820 20 0 GFADRO Brc1ccn2cc(CNCC3([NH+]4CCCC4)CCOCC3)nc2c1 ZINC000289618237 563680894 /nfs/dbraw/zinc/68/08/94/563680894.db2.gz WDAXDZVVFQQHIU-UHFFFAOYSA-N 1 0 393.329 2.831 20 0 GFADRO COC(=O)[C@H]1CN(C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)CC[N@H+](C)C1 ZINC000413049967 563680908 /nfs/dbraw/zinc/68/09/08/563680908.db2.gz UEQZEQCPCNLHFJ-NWDGAFQWSA-N 1 0 388.295 2.801 20 0 GFADRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+]C[C@@]2(C)OCCc3sccc32)cc1 ZINC000289664298 563682196 /nfs/dbraw/zinc/68/21/96/563682196.db2.gz GWNRLTMHLADQNF-SCLBCKFNSA-N 1 0 380.535 2.795 20 0 GFADRO CC[C@@H]1[NH2+]CC[C@H]1C(=O)N(C)CC(=O)Nc1ccc(Br)cc1C ZINC000289710144 563684327 /nfs/dbraw/zinc/68/43/27/563684327.db2.gz UHPSMNZPUZRFKQ-KGLIPLIRSA-N 1 0 382.302 2.543 20 0 GFADRO C[NH+](C)C1(CNC(=O)c2cc(Br)ccc2O)Cc2ccccc2C1 ZINC000436915579 563684668 /nfs/dbraw/zinc/68/46/68/563684668.db2.gz PBVKAUYKMOLCAR-UHFFFAOYSA-N 1 0 389.293 2.984 20 0 GFADRO C[C@H]([NH2+]C[C@@H](O)CN1CCc2ccccc2C1)c1ccc(Br)nc1 ZINC000289827801 563687788 /nfs/dbraw/zinc/68/77/88/563687788.db2.gz QCSMGDDVRYHMTK-KBXCAEBGSA-N 1 0 390.325 2.914 20 0 GFADRO O[C@H]1[C@H](C[NH2+]Cc2cn3ccc(Br)cc3n2)CCC12CCOCC2 ZINC000289888884 563690214 /nfs/dbraw/zinc/69/02/14/563690214.db2.gz QFMCNTKMWRHZEQ-GUYCJALGSA-N 1 0 394.313 2.754 20 0 GFADRO CC[C@H]1[NH2+]CC[C@@H]1C(=O)Nc1cc(Br)ccc1N1CCOCC1 ZINC000289898473 563690283 /nfs/dbraw/zinc/69/02/83/563690283.db2.gz IZMKTUIISLNTGI-UONOGXRCSA-N 1 0 382.302 2.612 20 0 GFADRO O=C(c1csc(-c2cccc(Cl)c2)n1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000289931254 563691596 /nfs/dbraw/zinc/69/15/96/563691596.db2.gz OJVDCEVFLQHFCY-HNNXBMFYSA-N 1 0 376.913 2.583 20 0 GFADRO COc1ccc(CCC(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1Br ZINC000360467861 563692860 /nfs/dbraw/zinc/69/28/60/563692860.db2.gz SIXTYDOIXGGJME-SQWLQELKSA-N 1 0 381.314 2.976 20 0 GFADRO Cc1noc(C)c1[C@H](C)C[NH2+]C1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000360809902 563695117 /nfs/dbraw/zinc/69/51/17/563695117.db2.gz KCJJOJBCJBVBQU-GFCCVEGCSA-N 1 0 383.539 2.899 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2C(=O)c1ccc(F)c(Br)c1 ZINC000437742687 563698783 /nfs/dbraw/zinc/69/87/83/563698783.db2.gz GJVOETCNPMMZMA-UHOFOFEASA-N 1 0 385.277 2.912 20 0 GFADRO Cn1nc(Br)c2c1ncnc2N1CCC([NH2+]C2CCCC2)CC1 ZINC000361831232 563702195 /nfs/dbraw/zinc/70/21/95/563702195.db2.gz QPRCDDSOOYHNIZ-UHFFFAOYSA-N 1 0 379.306 2.627 20 0 GFADRO CC[C@@H](Cc1ccccc1Br)C(=O)NC1(CCO)CC[NH+](C)CC1 ZINC000413700473 563702470 /nfs/dbraw/zinc/70/24/70/563702470.db2.gz RXQKIVYWJNJUDS-HNNXBMFYSA-N 1 0 397.357 2.981 20 0 GFADRO Cc1ccc(Br)c(C(=O)N2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)c1 ZINC000362065752 563703500 /nfs/dbraw/zinc/70/35/00/563703500.db2.gz LGTFYPFHDXGIPM-CRAIPNDOSA-N 1 0 394.357 2.856 20 0 GFADRO O=C(N[C@@H]1C[C@H]1c1ccc(Br)cc1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000438351388 563704348 /nfs/dbraw/zinc/70/43/48/563704348.db2.gz GOWYHOUFBDVCCZ-YESZJQIVSA-N 1 0 376.298 2.961 20 0 GFADRO C[C@H](O)c1ncc(C[NH2+]CCN2CCN(c3cccc(Cl)c3)CC2)s1 ZINC000290331890 563705677 /nfs/dbraw/zinc/70/56/77/563705677.db2.gz KJJZKXQHNCMRNI-AWEZNQCLSA-N 1 0 380.945 2.762 20 0 GFADRO CC[NH+]1CCN(CCNC(=O)C(C)(C)c2ccc(Br)c(C)c2)CC1 ZINC000290357214 563706227 /nfs/dbraw/zinc/70/62/27/563706227.db2.gz GIBFOCAXYVAYBI-UHFFFAOYSA-N 1 0 396.373 2.789 20 0 GFADRO C[C@H](C[NH2+]C[C@H]1CCC[C@]12NC(=O)N(C)C2=O)c1cccc(Br)c1 ZINC000362407548 563706868 /nfs/dbraw/zinc/70/68/68/563706868.db2.gz KEYOCVMXNMYLRZ-DFHBCGBQSA-N 1 0 394.313 2.863 20 0 GFADRO C[C@H](C[C@H](O)c1ccco1)[NH2+]C1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000362690750 563708652 /nfs/dbraw/zinc/70/86/52/563708652.db2.gz VTWNWCBIOVSKNV-HIFRSBDPSA-N 1 0 384.523 2.596 20 0 GFADRO COC(=O)[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)CC[N@H+](C)C1 ZINC000413891641 563708725 /nfs/dbraw/zinc/70/87/25/563708725.db2.gz GYFVQQNZNIZFJH-HZSPNIEDSA-N 1 0 385.291 2.660 20 0 GFADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]Cc1ccnc(N2CCCC2)c1 ZINC000438832051 563711612 /nfs/dbraw/zinc/71/16/12/563711612.db2.gz SUMAVRSZANEROY-CQSZACIVSA-N 1 0 391.313 2.784 20 0 GFADRO CS(=O)(=O)Nc1ccc(-c2csc([C@@H]3C[N@@H+]4CCC[C@H]4CO3)n2)cc1 ZINC000363099742 563714199 /nfs/dbraw/zinc/71/41/99/563714199.db2.gz XQFFGBOIJSSARL-HOCLYGCPSA-N 1 0 379.507 2.717 20 0 GFADRO CN(C(=O)[C@H]1CCCN(c2ccc(Br)cn2)C1)C1CC[NH+](C)CC1 ZINC000363078736 563714376 /nfs/dbraw/zinc/71/43/76/563714376.db2.gz BXUQWUSTMDYFGB-AWEZNQCLSA-N 1 0 395.345 2.613 20 0 GFADRO CNC(=O)[C@@H](C)C[N@H+](C)CC(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000363124730 563714898 /nfs/dbraw/zinc/71/48/98/563714898.db2.gz ZTHYBNZKDGLVBD-LRDDRELGSA-N 1 0 386.323 2.971 20 0 GFADRO Cc1ccc(Br)cc1CNC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000439048034 563716314 /nfs/dbraw/zinc/71/63/14/563716314.db2.gz ATZPQOPHYFXVSQ-KRWDZBQOSA-N 1 0 398.345 2.914 20 0 GFADRO Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000290645437 563717018 /nfs/dbraw/zinc/71/70/18/563717018.db2.gz ZDPPHWMYTMOKPR-NEPJUHHUSA-N 1 0 378.826 2.806 20 0 GFADRO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+][C@H](Cc1ccccc1)CN(C)C ZINC000414068444 563717177 /nfs/dbraw/zinc/71/71/77/563717177.db2.gz JSQOSGRKVBWPKQ-MAUKXSAKSA-N 1 0 392.341 2.762 20 0 GFADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]Cc1ccc(OCC2CC2)nc1 ZINC000414081628 563718047 /nfs/dbraw/zinc/71/80/47/563718047.db2.gz UMIIUKBJCNUJKN-CYBMUJFWSA-N 1 0 392.297 2.973 20 0 GFADRO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]Cc1ccc2c(c1)OCCCO2 ZINC000414075134 563718162 /nfs/dbraw/zinc/71/81/62/563718162.db2.gz NMMUSEILKLSDBA-ZDUSSCGKSA-N 1 0 393.281 2.950 20 0 GFADRO CSC1(C[NH2+][C@H](C)Cn2cc(Br)ccc2=O)CCOCC1 ZINC000414082395 563718200 /nfs/dbraw/zinc/71/82/00/563718200.db2.gz CESKGUJOQSAKEX-GFCCVEGCSA-N 1 0 375.332 2.501 20 0 GFADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@@H]1CCCC[C@H]1n1cccn1 ZINC000414096149 563718648 /nfs/dbraw/zinc/71/86/48/563718648.db2.gz HJFMAPKHXSZTCA-FVQBIDKESA-N 1 0 379.302 2.969 20 0 GFADRO CCc1ccc([C@@H](CO)[NH2+][C@H](C)Cn2cc(Br)ccc2=O)cc1 ZINC000414111830 563719346 /nfs/dbraw/zinc/71/93/46/563719346.db2.gz XMNKEAXPZBSHFD-CXAGYDPISA-N 1 0 379.298 2.885 20 0 GFADRO CC[C@H]1C[N@H+](C)CCCN1S(=O)(=O)c1cc(C)cc(Br)c1 ZINC000439211034 563719741 /nfs/dbraw/zinc/71/97/41/563719741.db2.gz CPKXCBCYFVRTOB-AWEZNQCLSA-N 1 0 375.332 2.862 20 0 GFADRO CC[C@H]1C[N@H+](C)CCCN1S(=O)(=O)c1cc(C)ccc1Br ZINC000439212917 563719785 /nfs/dbraw/zinc/71/97/85/563719785.db2.gz HDHHWFSAFIBXAA-ZDUSSCGKSA-N 1 0 375.332 2.862 20 0 GFADRO O=C(Cc1ccccc1Br)NC[C@@H]1CCC[C@@H]1[NH+]1CCOCC1 ZINC000363363221 563720167 /nfs/dbraw/zinc/72/01/67/563720167.db2.gz UJRDWXOIQJHYOR-RDJZCZTQSA-N 1 0 381.314 2.609 20 0 GFADRO COC[C@@H](Cc1ccccc1)[NH2+][C@H](C)Cn1cc(Br)ccc1=O ZINC000414121431 563720399 /nfs/dbraw/zinc/72/03/99/563720399.db2.gz ZNJKSSYAPHWFDO-RHSMWYFYSA-N 1 0 379.298 2.847 20 0 GFADRO C[C@H](NC(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccc(Br)cc1 ZINC000363390744 563721008 /nfs/dbraw/zinc/72/10/08/563721008.db2.gz VXDFGAMXRXXDSO-APHBMKBZSA-N 1 0 382.302 2.673 20 0 GFADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@@]1(CO)C[C@@H]1c1ccccc1 ZINC000414139794 563721296 /nfs/dbraw/zinc/72/12/96/563721296.db2.gz HLNKGDSSSIBBSQ-LSBZLQRGSA-N 1 0 391.309 2.755 20 0 GFADRO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+][C@H](C)C2(OC)CCOCC2)c1 ZINC000414206984 563722410 /nfs/dbraw/zinc/72/24/10/563722410.db2.gz GLZORIGBFGBUHB-CYBMUJFWSA-N 1 0 375.918 2.807 20 0 GFADRO C[C@@H]1CC[N@H+](C)CCN1C(=O)C(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000439341035 563722920 /nfs/dbraw/zinc/72/29/20/563722920.db2.gz LERIPVKKLCCTNF-SNVBAGLBSA-N 1 0 377.794 2.850 20 0 GFADRO C[C@@H]1CC[N@H+](C)CCN1C(=O)C(=O)Nc1ccc(Br)cc1Cl ZINC000439342356 563722981 /nfs/dbraw/zinc/72/29/81/563722981.db2.gz BBIGWAGFOBTVPF-SNVBAGLBSA-N 1 0 388.693 2.594 20 0 GFADRO C[C@@H]1C[N@@H+](C2CCN(C(=O)c3cc(F)cc(Br)c3)CC2)CCO1 ZINC000363433534 563723010 /nfs/dbraw/zinc/72/30/10/563723010.db2.gz DBCXKEMTPMXGHD-GFCCVEGCSA-N 1 0 385.277 2.914 20 0 GFADRO O[C@H](COc1cc(F)cc(Br)c1)C[N@@H+]1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000439429269 563723595 /nfs/dbraw/zinc/72/35/95/563723595.db2.gz HWEZGHAJXVJSLK-IOASZLSFSA-N 1 0 388.277 2.686 20 0 GFADRO [NH3+]C[C@@H]1CC[C@H](NC(=O)Nc2cccc(F)c2I)C1 ZINC000415359841 563770739 /nfs/dbraw/zinc/77/07/39/563770739.db2.gz LCJSEWXKEWNKRD-BDAKNGLRSA-N 1 0 377.201 2.679 20 0 GFADRO CN1CCO[C@H]([C@H]([NH2+]CCC(C)(C)S(C)(=O)=O)c2ccc(Cl)cc2)C1 ZINC000414263591 563724105 /nfs/dbraw/zinc/72/41/05/563724105.db2.gz PIRZJYZISQBKBA-DLBZAZTESA-N 1 0 388.961 2.515 20 0 GFADRO C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]CCC(C)(C)S(C)(=O)=O ZINC000414258489 563724117 /nfs/dbraw/zinc/72/41/17/563724117.db2.gz MBNZQCLVTQFWAK-AWEZNQCLSA-N 1 0 388.961 2.880 20 0 GFADRO CN1CCO[C@@H]([C@H]([NH2+]CCC(C)(C)S(C)(=O)=O)c2ccc(Cl)cc2)C1 ZINC000414263594 563724191 /nfs/dbraw/zinc/72/41/91/563724191.db2.gz PIRZJYZISQBKBA-IAGOWNOFSA-N 1 0 388.961 2.515 20 0 GFADRO C[C@H]1C[C@H](NC(=O)Nc2cccc(F)c2I)CC[NH2+]1 ZINC000415364686 563771390 /nfs/dbraw/zinc/77/13/90/563771390.db2.gz SJSQDJNTQNAROC-DTWKUNHWSA-N 1 0 377.201 2.692 20 0 GFADRO Cc1ccc([C@H]2CSCCN2C[C@@H](O)c2ccc(S(C)(=O)=O)cc2)o1 ZINC000363505764 563724603 /nfs/dbraw/zinc/72/46/03/563724603.db2.gz AFCHKLKILMHYFT-IAGOWNOFSA-N 1 0 381.519 2.815 20 0 GFADRO C[C@]1([NH2+]C[C@H](O)COc2cc(F)cc(Br)c2)CCO[C@H]1C1CC1 ZINC000439435327 563724577 /nfs/dbraw/zinc/72/45/77/563724577.db2.gz GMSSXCMRUOIULQ-XIRDDKMYSA-N 1 0 388.277 2.875 20 0 GFADRO C[C@@H]1C[N@H+](C[C@H](O)COc2cc(F)cc(Br)c2)[C@@H](C)[C@H](C)O1 ZINC000439440711 563724942 /nfs/dbraw/zinc/72/49/42/563724942.db2.gz OQJPJBLJKJDFOQ-YXMPFFBPSA-N 1 0 376.266 2.826 20 0 GFADRO CC(C)(C[NH2+]Cc1ccc(S(C)(=O)=O)s1)c1ccc2c(c1)OCCO2 ZINC000414298613 563725108 /nfs/dbraw/zinc/72/51/08/563725108.db2.gz JMXOWHTWRZBGHV-UHFFFAOYSA-N 1 0 381.519 2.990 20 0 GFADRO CNC(=O)[C@@H]1CCCN(C(=O)C2CC[NH+](Cc3ccc(Cl)s3)CC2)C1 ZINC000363522345 563725227 /nfs/dbraw/zinc/72/52/27/563725227.db2.gz HTUZQZOLGIXVAL-CQSZACIVSA-N 1 0 383.945 2.598 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+]C2CCN(c3ccccc3)CC2)cc1Cl ZINC000414324406 563726207 /nfs/dbraw/zinc/72/62/07/563726207.db2.gz WTAWIPDJZTXRRM-UHFFFAOYSA-N 1 0 379.913 2.746 20 0 GFADRO O[C@H](COc1cc(F)cc(Br)c1)C[N@@H+]1CCC[C@H]2COCC[C@@H]21 ZINC000439459265 563726331 /nfs/dbraw/zinc/72/63/31/563726331.db2.gz VUVIBIIVSAQLGR-NUTKFTJISA-N 1 0 388.277 2.829 20 0 GFADRO CC[N@H+](C[C@H](O)COc1cc(F)cc(Br)c1)C[C@@H]1CCCO1 ZINC000439455959 563726355 /nfs/dbraw/zinc/72/63/55/563726355.db2.gz XCEYNZBQVGUFQR-GJZGRUSLSA-N 1 0 376.266 2.829 20 0 GFADRO CC[NH+](CC)[C@@H]1CCN(C[C@@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000439456511 563726657 /nfs/dbraw/zinc/72/66/57/563726657.db2.gz YIQSNYPJKDIEOU-HZPDHXFCSA-N 1 0 389.309 2.744 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+]C2(c3ccccc3)CC2)cc1Br ZINC000414336816 563727537 /nfs/dbraw/zinc/72/75/37/563727537.db2.gz CYUPSUBFQHEFQD-UHFFFAOYSA-N 1 0 381.295 2.875 20 0 GFADRO CC(C)NC(=O)[C@@H](C)[NH2+]C1CCN(Cc2ccccc2Br)CC1 ZINC000414337918 563727557 /nfs/dbraw/zinc/72/75/57/563727557.db2.gz IJOBPQJOMJEMEO-CQSZACIVSA-N 1 0 382.346 2.916 20 0 GFADRO C[C@@H]([NH2+][C@@H]1C[C@H]1c1ccco1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000414341675 563727636 /nfs/dbraw/zinc/72/76/36/563727636.db2.gz IEGNDIKRQBNAAX-IRUJWGPZSA-N 1 0 385.283 2.896 20 0 GFADRO CC[C@H]([NH2+]CCCCn1cc(C(N)=O)nn1)c1cc(F)cc(Br)c1 ZINC000414346779 563728206 /nfs/dbraw/zinc/72/82/06/563728206.db2.gz GJMUGJSLTIKBOB-AWEZNQCLSA-N 1 0 398.280 2.800 20 0 GFADRO CCc1ncc(C[NH2+]CCCNC(=O)c2cccc(Br)c2)cn1 ZINC000414343874 563728251 /nfs/dbraw/zinc/72/82/51/563728251.db2.gz NNULIIQCRMDYMM-UHFFFAOYSA-N 1 0 377.286 2.711 20 0 GFADRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNCc2ccc(S(N)(=O)=O)c(Cl)c2)C1 ZINC000414354435 563728914 /nfs/dbraw/zinc/72/89/14/563728914.db2.gz XJEPHMVIAYBFRI-CQSZACIVSA-N 1 0 387.977 2.978 20 0 GFADRO CC(C)c1n[nH]c(C(=O)N2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@H]3C2)c1Br ZINC000363658816 563729341 /nfs/dbraw/zinc/72/93/41/563729341.db2.gz CCQBZCIBAPDKST-RWMBFGLXSA-N 1 0 381.318 2.852 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+]CCOCc2ccc(Cl)cc2)cc1Cl ZINC000414363062 563729368 /nfs/dbraw/zinc/72/93/68/563729368.db2.gz FYCZQVIFBOJSBF-UHFFFAOYSA-N 1 0 389.304 2.947 20 0 GFADRO CO[C@H](c1ccc(F)cc1)[C@H](C)[NH2+]Cc1ccc(S(N)(=O)=O)c(Cl)c1 ZINC000414367046 563729699 /nfs/dbraw/zinc/72/96/99/563729699.db2.gz PGNISJDIRKITMT-GTNSWQLSSA-N 1 0 386.876 2.992 20 0 GFADRO CS(=O)(=O)c1ccc(C[NH2+]CCC2CCN(CC(F)(F)F)CC2)s1 ZINC000414369506 563730313 /nfs/dbraw/zinc/73/03/13/563730313.db2.gz UQVLCVQUXRNYOM-UHFFFAOYSA-N 1 0 384.489 2.906 20 0 GFADRO NC(=O)[C@@H](N[C@@H]1CC[N@H+](CC2CCCC2)C1)c1ccc(Br)cc1 ZINC000439647860 563730343 /nfs/dbraw/zinc/73/03/43/563730343.db2.gz MKLVYZVJMLDEIU-SJORKVTESA-N 1 0 380.330 2.830 20 0 GFADRO COCCC[N@@H+]1CCCN(CC(=O)Nc2ccc(Br)c(C)c2)CC1 ZINC000363675070 563730404 /nfs/dbraw/zinc/73/04/04/563730404.db2.gz WOQVJJKWLXXOIB-UHFFFAOYSA-N 1 0 398.345 2.740 20 0 GFADRO CO[C@@](C)(C[NH2+][C@H](C)c1ccc(Br)c(S(N)(=O)=O)c1)C1CC1 ZINC000291109275 563731459 /nfs/dbraw/zinc/73/14/59/563731459.db2.gz FIIVOEZSCDMSSZ-BMIGLBTASA-N 1 0 391.331 2.562 20 0 GFADRO CSCC[C@H](CO)[NH2+]Cc1c(Br)cncc1Br ZINC000414386096 563732408 /nfs/dbraw/zinc/73/24/08/563732408.db2.gz XYOKVHAZOMOTJX-MRVPVSSYSA-N 1 0 384.137 2.810 20 0 GFADRO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)c1nc2ccc(Br)cn2n1 ZINC000414402861 563734065 /nfs/dbraw/zinc/73/40/65/563734065.db2.gz QKDVNELHRCEQCG-AWEZNQCLSA-N 1 0 394.317 2.732 20 0 GFADRO CC(C)[N@@H+]1CCc2nc(CN3CCN(CC(F)(F)F)[C@H](C)C3)sc2C1 ZINC000363865983 563735421 /nfs/dbraw/zinc/73/54/21/563735421.db2.gz VJVQOTCYVFDWBD-CYBMUJFWSA-N 1 0 376.492 2.978 20 0 GFADRO Cn1cc(C[NH2+]C[C@H](O)COc2ccccc2Br)c(C(F)F)n1 ZINC000291226816 563735432 /nfs/dbraw/zinc/73/54/32/563735432.db2.gz PICAAQCERMSBEN-NSHDSACASA-N 1 0 390.228 2.650 20 0 GFADRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NS(=O)(=O)c1ccccc1OC(F)(F)F ZINC000440085426 563736535 /nfs/dbraw/zinc/73/65/35/563736535.db2.gz APJVBKZEBUTKBQ-QWHCGFSZSA-N 1 0 380.432 2.984 20 0 GFADRO O=C([C@H]1C[N@@H+]2CCN1CCC2)N1CCC(c2ccccc2Br)CC1 ZINC000440081899 563736568 /nfs/dbraw/zinc/73/65/68/563736568.db2.gz XUNWDDWRMAYJEN-GOSISDBHSA-N 1 0 392.341 2.545 20 0 GFADRO Cc1ccc(CNc2ccc(CN3CC[NH+](C)CC3)c(Br)c2)nn1 ZINC000414431342 563736739 /nfs/dbraw/zinc/73/67/39/563736739.db2.gz HOWSQCYCBMDCPR-UHFFFAOYSA-N 1 0 390.329 2.907 20 0 GFADRO CCOC(=O)[C@@](C)(C[NH2+]Cc1ccc(S(C)(=O)=O)s1)c1ccccc1 ZINC000414437795 563737392 /nfs/dbraw/zinc/73/73/92/563737392.db2.gz QJTBJQZURFAQJB-SFHVURJKSA-N 1 0 381.519 2.762 20 0 GFADRO Cc1cc(NC(=O)C(=O)N(C)CCC[NH+]2CCCC2)cc(C)c1Br ZINC000440273301 563738291 /nfs/dbraw/zinc/73/82/91/563738291.db2.gz VTQQXLVNFOGBMI-UHFFFAOYSA-N 1 0 396.329 2.949 20 0 GFADRO CC(=O)N[C@H]1CCCN(C(=O)C2CC[NH+](Cc3ccc(Cl)s3)CC2)C1 ZINC000363964704 563738403 /nfs/dbraw/zinc/73/84/03/563738403.db2.gz WKKJZKKBRYZLTD-HNNXBMFYSA-N 1 0 383.945 2.741 20 0 GFADRO COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)N[C@H]1CCC[C@@H]1[NH+](C)C ZINC000414465477 563741449 /nfs/dbraw/zinc/74/14/49/563741449.db2.gz RDHGDBCWHXIZSF-STQMWFEESA-N 1 0 395.308 2.541 20 0 GFADRO CC(C)[C@H]([NH3+])CNS(=O)(=O)c1ccc(Br)cc1C(F)(F)F ZINC000440402461 563741475 /nfs/dbraw/zinc/74/14/75/563741475.db2.gz CLCCWUZEOFNWMI-SNVBAGLBSA-N 1 0 389.237 2.730 20 0 GFADRO Cc1c2cc(Cl)ccc2oc1S(=O)(=O)N1CCC(OCCC[NH3+])CC1 ZINC000440421946 563741725 /nfs/dbraw/zinc/74/17/25/563741725.db2.gz LETDVGVZDIEEJZ-UHFFFAOYSA-N 1 0 386.901 2.913 20 0 GFADRO O=C(NC[C@@H]1CCC[NH2+]1)[C@@H]1CCCN1c1ncc(C(F)(F)F)cc1Cl ZINC000364145234 563744741 /nfs/dbraw/zinc/74/47/41/563744741.db2.gz XIYJXMWKPAJGBD-AAEUAGOBSA-N 1 0 376.810 2.591 20 0 GFADRO COC[C@@](C)(CC(=O)OC)[NH2+]CC[S@@](=O)c1cc(Cl)ccc1Cl ZINC000440549391 563744876 /nfs/dbraw/zinc/74/48/76/563744876.db2.gz HCLHMLCOEOBEBV-IQMFZBJNSA-N 1 0 382.309 2.659 20 0 GFADRO CCn1cc(Br)cc1C(=O)N1C[C@H]([NH3+])[C@H](c2ccc(F)cc2)C1 ZINC000364163379 563745631 /nfs/dbraw/zinc/74/56/31/563745631.db2.gz XPWJXNCLIIOQOP-GJZGRUSLSA-N 1 0 380.261 2.977 20 0 GFADRO CC(C)(CN1CCOCC1)[NH2+]Cc1cn(-c2ccc(Cl)cc2Cl)nn1 ZINC000414539701 563746031 /nfs/dbraw/zinc/74/60/31/563746031.db2.gz BCLWKURYOGXKKF-UHFFFAOYSA-N 1 0 384.311 2.775 20 0 GFADRO O[C@@H](C[NH2+]Cc1cc(C(F)(F)F)n[nH]1)COc1ccccc1Br ZINC000440631696 563746424 /nfs/dbraw/zinc/74/64/24/563746424.db2.gz ZKCJYQRVROVMHB-JTQLQIEISA-N 1 0 394.191 2.721 20 0 GFADRO [NH3+][C@@H]1CCC[C@@]12CCN(C(=O)c1cc(Br)c3c(c1)OCCO3)C2 ZINC000364258585 563747424 /nfs/dbraw/zinc/74/74/24/563747424.db2.gz OIBSJLVYUMIMFD-PBHICJAKSA-N 1 0 381.270 2.564 20 0 GFADRO CC[C@@](C[NH2+]Cc1c(Br)cnn1C)(C(=O)OC)c1ccccc1 ZINC000414593234 563747591 /nfs/dbraw/zinc/74/75/91/563747591.db2.gz VTVXMOWPKURHHJ-KRWDZBQOSA-N 1 0 380.286 2.793 20 0 GFADRO CN(C(=O)c1c(F)cccc1Br)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000364251317 563747584 /nfs/dbraw/zinc/74/75/84/563747584.db2.gz FWLBGHXFJGXMGH-AWEZNQCLSA-N 1 0 398.320 2.829 20 0 GFADRO C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1Br)[C@H]1CCC[NH2+]C1 ZINC000440732000 563748842 /nfs/dbraw/zinc/74/88/42/563748842.db2.gz HATZRORVEKKXFH-ZJUUUORDSA-N 1 0 381.723 2.769 20 0 GFADRO C[NH2+]Cc1ccc(NC(=O)C(=O)NCCc2ccc(Br)s2)cc1 ZINC000414675451 563749876 /nfs/dbraw/zinc/74/98/76/563749876.db2.gz FWCVVIZEFXSKCA-UHFFFAOYSA-N 1 0 396.310 2.527 20 0 GFADRO Cc1cc(I)ccc1NC(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000414685229 563750200 /nfs/dbraw/zinc/75/02/00/563750200.db2.gz YKIGQPNMPBQGNP-NSHDSACASA-N 1 0 395.191 2.718 20 0 GFADRO Cc1cc(Br)cc(C)c1S(=O)(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000440806194 563750533 /nfs/dbraw/zinc/75/05/33/563750533.db2.gz ZXUJHXOLJRYAQP-CYBMUJFWSA-N 1 0 375.332 2.815 20 0 GFADRO [NH3+]CC[C@@H]1CCCN(S(=O)(=O)c2cc(Cl)ccc2Br)C1 ZINC000440799213 563750536 /nfs/dbraw/zinc/75/05/36/563750536.db2.gz JVEPXZHLCQTALW-JTQLQIEISA-N 1 0 381.723 2.852 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)N1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000414722201 563751114 /nfs/dbraw/zinc/75/11/14/563751114.db2.gz LEOZOJFMQVTBPZ-ZDUSSCGKSA-N 1 0 382.302 2.977 20 0 GFADRO C[NH2+]CCC1CCN(S(=O)(=O)c2ccc(C)c(Br)c2)CC1 ZINC000440844792 563751762 /nfs/dbraw/zinc/75/17/62/563751762.db2.gz JVBMPTQTLYDTSW-UHFFFAOYSA-N 1 0 375.332 2.768 20 0 GFADRO CC[NH2+][C@H](C)CNS(=O)(=O)c1cc(C(F)(F)F)ccc1Br ZINC000440864950 563752484 /nfs/dbraw/zinc/75/24/84/563752484.db2.gz XAUKCJMBGXJKAF-MRVPVSSYSA-N 1 0 389.237 2.744 20 0 GFADRO Cc1cc(Br)ccc1C(=O)N1CCC([NH2+][C@@H](CN)C2CC2)CC1 ZINC000414798913 563752617 /nfs/dbraw/zinc/75/26/17/563752617.db2.gz COABXDYSCVVCEV-KRWDZBQOSA-N 1 0 380.330 2.689 20 0 GFADRO O=S(=O)(c1ccc(F)c(C(F)(F)F)c1)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000440856595 563752630 /nfs/dbraw/zinc/75/26/30/563752630.db2.gz HUPMWZWIIRUMQK-OAHLLOKOSA-N 1 0 380.407 2.997 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ncc(Br)cc1F ZINC000364462315 563753640 /nfs/dbraw/zinc/75/36/40/563753640.db2.gz CFZJIPKPDZLAFG-GXTWGEPZSA-N 1 0 385.325 2.802 20 0 GFADRO CNC(=O)NC(=O)C[NH2+]C1(Cc2ccc(Br)cc2)CCCCC1 ZINC000440923012 563754006 /nfs/dbraw/zinc/75/40/06/563754006.db2.gz ZYSQDGGGIKIIOV-UHFFFAOYSA-N 1 0 382.302 2.740 20 0 GFADRO C[C@@H](C[NH3+])NCc1cc(I)c(Br)cc1F ZINC000414947390 563754981 /nfs/dbraw/zinc/75/49/81/563754981.db2.gz VAASNDWIMMOZDN-LURJTMIESA-N 1 0 387.034 2.630 20 0 GFADRO CO[C@H]1CCCC[C@@H]1[NH2+]CCS(=O)(=O)c1ccc(Br)cc1 ZINC000441236542 563756198 /nfs/dbraw/zinc/75/61/98/563756198.db2.gz USARYWRHEIEQJF-GJZGRUSLSA-N 1 0 376.316 2.770 20 0 GFADRO COc1cc(Br)c(NC(=O)N2CC[C@@H](C)[C@H](C[NH3+])C2)cc1OC ZINC000414987767 563756486 /nfs/dbraw/zinc/75/64/86/563756486.db2.gz DYPMPKNEMOSABG-GHMZBOCLSA-N 1 0 386.290 2.915 20 0 GFADRO CC(C)(C)S(=O)(=O)Cc1ccc(NC(=O)N[C@@H](CC[NH3+])C(F)F)cc1 ZINC000415067192 563757883 /nfs/dbraw/zinc/75/78/83/563757883.db2.gz BXWVAMIBNISENO-ZDUSSCGKSA-N 1 0 377.457 2.504 20 0 GFADRO COc1ccc(C)cc1C[NH2+]CCNS(=O)(=O)c1ccc(Cl)cc1F ZINC000441353881 563758267 /nfs/dbraw/zinc/75/82/67/563758267.db2.gz HMFAWEBXELPMFA-UHFFFAOYSA-N 1 0 386.876 2.864 20 0 GFADRO COc1ccc(C[NH2+]CCNS(=O)(=O)c2ccc(F)cc2F)cc1Cl ZINC000441342907 563758290 /nfs/dbraw/zinc/75/82/90/563758290.db2.gz FLQCNVNNQIKGTP-UHFFFAOYSA-N 1 0 390.839 2.695 20 0 GFADRO CCCOc1c(Br)cc(C[NH2+]C[C@H]2CNCCO2)cc1OCC ZINC000415098622 563759036 /nfs/dbraw/zinc/75/90/36/563759036.db2.gz WHZVCKLJTNRELC-CQSZACIVSA-N 1 0 387.318 2.715 20 0 GFADRO [NH3+]C1(CNC(=O)Nc2cc(F)c(I)c(F)c2)CCC1 ZINC000415112077 563759446 /nfs/dbraw/zinc/75/94/46/563759446.db2.gz CTTSWSXHXCRRMT-UHFFFAOYSA-N 1 0 381.164 2.572 20 0 GFADRO [NH3+]CCCNC(=O)Nc1cc(I)ccc1Br ZINC000415114687 563759607 /nfs/dbraw/zinc/75/96/07/563759607.db2.gz CXPSBIXMJSWTBI-UHFFFAOYSA-N 1 0 398.042 2.524 20 0 GFADRO [NH3+]C[C@H]1CCN(C(=O)Nc2cc(Br)cnc2OCC(F)(F)F)C1 ZINC000415180182 563761676 /nfs/dbraw/zinc/76/16/76/563761676.db2.gz WAEHGHSPRNEHHK-MRVPVSSYSA-N 1 0 397.195 2.598 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)Nc2cc(Br)ccc2-n2cccn2)C1 ZINC000415169421 563761740 /nfs/dbraw/zinc/76/17/40/563761740.db2.gz VWBZBFGLNZSGJJ-NEPJUHHUSA-N 1 0 378.274 2.836 20 0 GFADRO C[C@@H](C[NH3+])NC(=O)Nc1ccc(I)cc1Br ZINC000415249715 563763556 /nfs/dbraw/zinc/76/35/56/563763556.db2.gz KCCZCZOMORUZPI-LURJTMIESA-N 1 0 398.042 2.522 20 0 GFADRO O=C(c1[nH]nc2c1C[NH2+]CC2)N1CCC[C@H]1Cc1ccc(Br)cc1 ZINC000364726181 563762582 /nfs/dbraw/zinc/76/25/82/563762582.db2.gz WXEYDWFBDHRTDM-AWEZNQCLSA-N 1 0 389.297 2.665 20 0 GFADRO Cc1cc(COc2ccc(C(=O)NC[C@H](C)C[NH3+])cc2Br)no1 ZINC000441611655 563762824 /nfs/dbraw/zinc/76/28/24/563762824.db2.gz OOPKAWHRXIFKPA-SNVBAGLBSA-N 1 0 382.258 2.649 20 0 GFADRO C[C@@H]([NH3+])[C@@H](C)NC(=O)Nc1ccc(CCn2cc(Br)cn2)cc1 ZINC000415219618 563763001 /nfs/dbraw/zinc/76/30/01/563763001.db2.gz YFFXGTOWHLDCFF-VXGBXAGGSA-N 1 0 380.290 2.746 20 0 GFADRO C[NH2+]C[C@H](C)CNC(=O)Nc1cc(F)c(F)cc1I ZINC000415224576 563763228 /nfs/dbraw/zinc/76/32/28/563763228.db2.gz BBFABGBCQVLKKL-ZETCQYMHSA-N 1 0 383.180 2.546 20 0 GFADRO COC(=O)c1ccc(S(=O)(=O)NCC[N@H+]2[C@H](C)CCC[C@@H]2C)cc1Cl ZINC000441952834 563766108 /nfs/dbraw/zinc/76/61/08/563766108.db2.gz GUMLVSAWOXJMMN-BETUJISGSA-N 1 0 388.917 2.668 20 0 GFADRO O=C(Nc1ccc(Br)c(Cl)c1Cl)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000415319873 563766655 /nfs/dbraw/zinc/76/66/55/563766655.db2.gz UPVQIZGNTYUYSI-ZETCQYMHSA-N 1 0 395.084 2.563 20 0 GFADRO COC(=O)c1cc(Br)ccc1NC(=O)NC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000415323419 563766832 /nfs/dbraw/zinc/76/68/32/563766832.db2.gz CNNYNJCSEMGPMO-CMPLNLGQSA-N 1 0 384.274 2.875 20 0 GFADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)[C@@H](C)c2cccc(Br)c2)CC1 ZINC000291962099 563766877 /nfs/dbraw/zinc/76/68/77/563766877.db2.gz RNIFQKNBJXAQQV-HOTGVXAUSA-N 1 0 396.373 2.942 20 0 GFADRO CCOC(=O)c1cc(Br)ccc1NC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000415344659 563768804 /nfs/dbraw/zinc/76/88/04/563768804.db2.gz DYXMBWBROOQYTH-BETUJISGSA-N 1 0 396.285 2.984 20 0 GFADRO Cc1ccc(-c2csc(NC(=O)C(=O)N[C@H](C)[C@H]3CCC[NH2+]C3)n2)s1 ZINC000415351561 563769430 /nfs/dbraw/zinc/76/94/30/563769430.db2.gz JQRXZRIDYYIXIY-NEPJUHHUSA-N 1 0 378.523 2.623 20 0 GFADRO O=C(NCC[C@H]1CCC[NH2+]C1)Nc1cccc(F)c1I ZINC000415356324 563769953 /nfs/dbraw/zinc/76/99/53/563769953.db2.gz HLJJLWOSRXNBMM-SNVBAGLBSA-N 1 0 391.228 2.942 20 0 GFADRO C[C@@H]1[C@H](C)N(C)CCN1C(=O)C(=O)Nc1cc(Cl)ccc1Br ZINC000442248558 563770084 /nfs/dbraw/zinc/77/00/84/563770084.db2.gz FHQQWEWMOXFJTM-VHSXEESVSA-N 1 0 388.693 2.592 20 0 GFADRO Cc1nc2cc(Cl)c(NC(=O)C(=O)N[C@H](C)[C@H]3CCC[NH2+]C3)cc2s1 ZINC000415363787 563770715 /nfs/dbraw/zinc/77/07/15/563770715.db2.gz XFCLUEVDSFEKAL-KOLCDFICSA-N 1 0 380.901 2.701 20 0 GFADRO O=C(Nc1cccc(F)c1I)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000415367277 563771387 /nfs/dbraw/zinc/77/13/87/563771387.db2.gz YCVUFELXPQKNDI-AWEZNQCLSA-N 1 0 389.212 2.648 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N2CCC([C@@H](C)[NH3+])CC2)c(Br)c1 ZINC000415390185 563771782 /nfs/dbraw/zinc/77/17/82/563771782.db2.gz GFTORIDRKZAHAG-GFCCVEGCSA-N 1 0 382.302 2.590 20 0 GFADRO Cc1cc(F)c(NC(=O)N2CC[C@@H]([C@H](C)[NH3+])C2)c(I)c1 ZINC000415391429 563771947 /nfs/dbraw/zinc/77/19/47/563771947.db2.gz LQYQOTYZVUFEIW-VHSXEESVSA-N 1 0 391.228 2.940 20 0 GFADRO O=C(NC[C@@H]1CCC[NH2+]1)C(=O)Nc1cccc(Cl)c1SCC(F)F ZINC000415386565 563772024 /nfs/dbraw/zinc/77/20/24/563772024.db2.gz XCUCIDXTVUURKL-VIFPVBQESA-N 1 0 377.844 2.504 20 0 GFADRO CCCN(C(=O)C(=O)Nc1cc(Cl)cc(Br)c1)[C@H]1CC[NH2+]C1 ZINC000415399537 563772486 /nfs/dbraw/zinc/77/24/86/563772486.db2.gz YMCYJOGJCLMIHI-ZDUSSCGKSA-N 1 0 388.693 2.642 20 0 GFADRO COC(=O)c1cc(NC(=O)N2CC[C@@H](C)C[C@H]2C[NH3+])ccc1Br ZINC000415402184 563773111 /nfs/dbraw/zinc/77/31/11/563773111.db2.gz ILQGNJFSUGSDNJ-PWSUYJOCSA-N 1 0 384.274 2.827 20 0 GFADRO CC[NH+](CC)CCSCC(=O)N[C@H]1C[C@H](C)S(=O)(=O)c2sccc21 ZINC000292086040 563773244 /nfs/dbraw/zinc/77/32/44/563773244.db2.gz XOJPSYFMOHHEEQ-JSGCOSHPSA-N 1 0 390.596 2.546 20 0 GFADRO C[NH2+]CC1CCN(C(=O)Nc2ccc(Br)c(C(=O)OC)c2)CC1 ZINC000415409387 563773636 /nfs/dbraw/zinc/77/36/36/563773636.db2.gz SQWBOPZWVVGJRE-UHFFFAOYSA-N 1 0 384.274 2.699 20 0 GFADRO COCCOc1ccc(Br)cc1NC(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000415424181 563774105 /nfs/dbraw/zinc/77/41/05/563774105.db2.gz IDNUVBUJZFRJIR-DGCLKSJQSA-N 1 0 386.290 2.736 20 0 GFADRO COCCOc1ccc(Br)cc1NC(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000415422853 563774354 /nfs/dbraw/zinc/77/43/54/563774354.db2.gz FLMUHQCHMJFTMO-AAEUAGOBSA-N 1 0 386.290 2.723 20 0 GFADRO COCCOc1ccc(Br)cc1NC(=O)N[C@](C)(C[NH3+])C(C)C ZINC000415422361 563774373 /nfs/dbraw/zinc/77/43/73/563774373.db2.gz DPOKKGICRMSZNN-MRXNPFEDSA-N 1 0 388.306 2.969 20 0 GFADRO Cc1cc(Br)cc(Cl)c1NC(=O)C(=O)N[C@@H](C[NH3+])CC(C)C ZINC000415426029 563774825 /nfs/dbraw/zinc/77/48/25/563774825.db2.gz MNJYCQJOICSIRD-LLVKDONJSA-N 1 0 390.709 2.839 20 0 GFADRO CN1CC[NH+](C[C@H]2CCCN(C(=O)c3cccc(Br)c3)C2)CC1 ZINC000365115528 563774868 /nfs/dbraw/zinc/77/48/68/563774868.db2.gz VHRAUYWILKOULD-OAHLLOKOSA-N 1 0 380.330 2.549 20 0 GFADRO CC(C)C[C@](C)(C[NH3+])NC(=O)Nc1ccc(S(C)(=O)=O)c(C(F)F)c1 ZINC000415438005 563775564 /nfs/dbraw/zinc/77/55/64/563775564.db2.gz PSUNYRLPKQMRSV-MRXNPFEDSA-N 1 0 377.457 2.913 20 0 GFADRO COCCOc1ccc(Br)cc1NC(=O)N1C[C@@H](C[NH3+])C[C@@H]1C ZINC000415435616 563775682 /nfs/dbraw/zinc/77/56/82/563775682.db2.gz ZOZQFXGISZIREL-NWDGAFQWSA-N 1 0 386.290 2.675 20 0 GFADRO C[C@H](C(=O)N(C)CCCN1CC[NH+](C)CC1)c1cccc(Br)c1 ZINC000292148484 563776162 /nfs/dbraw/zinc/77/61/62/563776162.db2.gz PIKOUAWOJNRQLB-HNNXBMFYSA-N 1 0 382.346 2.649 20 0 GFADRO CCOCCOc1ccc(Br)cc1NC(=O)N1CCC[C@H]([NH3+])C1 ZINC000415439948 563776307 /nfs/dbraw/zinc/77/63/07/563776307.db2.gz DUCUNUYDIPTWRX-ZDUSSCGKSA-N 1 0 386.290 2.819 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000415440423 563776546 /nfs/dbraw/zinc/77/65/46/563776546.db2.gz MPCZUPALMSHTAO-OLZOCXBDSA-N 1 0 382.302 2.590 20 0 GFADRO [NH3+]C[C@H](NC(=O)C(=O)Nc1cc(Cl)ccc1SCC(F)(F)F)C1CC1 ZINC000415454350 563776946 /nfs/dbraw/zinc/77/69/46/563776946.db2.gz NXSUDZHHDSSFCG-NSHDSACASA-N 1 0 395.834 2.786 20 0 GFADRO O=C1[C@H]([NH2+]Cc2ccc(Br)c(Cl)c2)CCN1C1CCOCC1 ZINC000365205126 563777185 /nfs/dbraw/zinc/77/71/85/563777185.db2.gz UDTSSSOICCCKLS-OAHLLOKOSA-N 1 0 387.705 2.972 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)Nc2ccc(Br)c(Cl)c2)C1 ZINC000415454150 563777153 /nfs/dbraw/zinc/77/71/53/563777153.db2.gz ZWEPZUZCGPRECZ-ZJUUUORDSA-N 1 0 388.693 2.627 20 0 GFADRO C[C@H](C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1)c1cccc(Br)c1 ZINC000292186935 563777415 /nfs/dbraw/zinc/77/74/15/563777415.db2.gz QOGYGBMIKJTINN-GJZGRUSLSA-N 1 0 381.314 2.733 20 0 GFADRO COC(=O)c1cc(Br)c(F)cc1NC(=O)NC1(C[NH3+])CCCC1 ZINC000415470441 563777653 /nfs/dbraw/zinc/77/76/53/563777653.db2.gz OJOZZGUCYILWOW-UHFFFAOYSA-N 1 0 388.237 2.768 20 0 GFADRO Cc1ccc(NC(=O)c2c(I)cnn2C)c(C[NH+](C)C)c1 ZINC000292194217 563777756 /nfs/dbraw/zinc/77/77/56/563777756.db2.gz AFFHLOACCXLHCT-UHFFFAOYSA-N 1 0 398.248 2.647 20 0 GFADRO CCCC[C@H](C[NH3+])NC(=O)C(=O)Nc1cccc(Br)c1Cl ZINC000415493595 563779040 /nfs/dbraw/zinc/77/90/40/563779040.db2.gz GTTINSIBWICXAU-SECBINFHSA-N 1 0 376.682 2.675 20 0 GFADRO Cc1cccc(NC(=O)N2C[C@H](C[NH3+])C3(C2)CCOCC3)c1Br ZINC000415496846 563779540 /nfs/dbraw/zinc/77/95/40/563779540.db2.gz KYDXQXCAIJXPRB-ZDUSSCGKSA-N 1 0 382.302 2.977 20 0 GFADRO Cc1ccc(I)cc1NC(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000415505693 563780313 /nfs/dbraw/zinc/78/03/13/563780313.db2.gz JNFFVVLAGWRQLN-NWDGAFQWSA-N 1 0 385.249 2.673 20 0 GFADRO C[C@]1(CNC(=O)Nc2nnc(-c3c(F)cccc3Cl)s2)CCC[NH2+]C1 ZINC000415511530 563780875 /nfs/dbraw/zinc/78/08/75/563780875.db2.gz PLNMPZUYUPFCHQ-INIZCTEOSA-N 1 0 383.880 3.509 20 0 GFADRO CC1(C)[C@H]([NH2+]CCNS(=O)(=O)c2ccc(Cl)cc2F)[C@H]2CCCO[C@H]21 ZINC000442863426 563781860 /nfs/dbraw/zinc/78/18/60/563781860.db2.gz QVKDVVHZOPJSFJ-DAXOMENPSA-N 1 0 390.908 2.551 20 0 GFADRO [NH3+]CC1CCN(C(=O)Nc2ccnn2Cc2ccccc2Br)CC1 ZINC000415525734 563781828 /nfs/dbraw/zinc/78/18/28/563781828.db2.gz WZDWCSBSZJETKA-UHFFFAOYSA-N 1 0 392.301 2.897 20 0 GFADRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)Nc1ccnn1Cc1cccc(Br)c1 ZINC000415527933 563782611 /nfs/dbraw/zinc/78/26/11/563782611.db2.gz OXWIWHBMPITLGF-DOMZBBRYSA-N 1 0 392.301 2.813 20 0 GFADRO C[C@@H]1CC[N@H+](CCCOc2cccc(I)c2)[C@@H]1CO ZINC000442889343 563782992 /nfs/dbraw/zinc/78/29/92/563782992.db2.gz DWHIVVLCKKSCFB-IUODEOHRSA-N 1 0 375.250 2.763 20 0 GFADRO COC(=O)c1sccc1NC(=O)C[NH2+][C@H](C)[C@H]1OCCc2sccc21 ZINC000292353736 563783417 /nfs/dbraw/zinc/78/34/17/563783417.db2.gz HOTYAKLAUDEKHC-MEBBXXQBSA-N 1 0 380.491 2.827 20 0 GFADRO CCOc1ccc(NC(=O)N2CC[C@H](OC)C[C@@H]2C[NH3+])cc1Br ZINC000415540184 563783726 /nfs/dbraw/zinc/78/37/26/563783726.db2.gz XUMJLIFMYXIXAC-OLZOCXBDSA-N 1 0 386.290 2.818 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)Nc2ccc(-c3ccc(Cl)s3)nc2)C1 ZINC000415560441 563784430 /nfs/dbraw/zinc/78/44/30/563784430.db2.gz FRXOEABPBJUTHA-GHMZBOCLSA-N 1 0 378.885 2.598 20 0 GFADRO C[C@@]1(CNC(=O)C(=O)Nc2ccc(Cl)c(Br)c2)CCC[NH2+]C1 ZINC000415577553 563784850 /nfs/dbraw/zinc/78/48/50/563784850.db2.gz HHTOEOOOLCAIIQ-OAHLLOKOSA-N 1 0 388.693 2.547 20 0 GFADRO COC(=O)c1c(C)c(NC(=O)N[C@H]2CCC[C@H]([NH3+])C2)ccc1Br ZINC000415592462 563785713 /nfs/dbraw/zinc/78/57/13/563785713.db2.gz CGUZDLFCEBCJQS-QWRGUYRKSA-N 1 0 384.274 2.936 20 0 GFADRO C[C@H](CNC(=O)C1(c2ccc(Br)cc2)CCOCC1)C[NH+](C)C ZINC000292411000 563785777 /nfs/dbraw/zinc/78/57/77/563785777.db2.gz PERIPAUZOJCBMK-CQSZACIVSA-N 1 0 383.330 2.811 20 0 GFADRO CCc1n[nH]c(C(=O)N2CCC(Cc3nccn3C)CC2)c1Br ZINC000365535156 563786072 /nfs/dbraw/zinc/78/60/72/563786072.db2.gz IIDRVBXEUGGGEH-UHFFFAOYSA-N 1 0 380.290 2.563 20 0 GFADRO C[C@H](CNC(=O)C1(Cc2ccccc2Br)CC1)N1CC[NH+](C)CC1 ZINC000292420044 563786402 /nfs/dbraw/zinc/78/64/02/563786402.db2.gz ZZUHHFBEZNPNCZ-OAHLLOKOSA-N 1 0 394.357 2.524 20 0 GFADRO O=C(Nc1ccc(C(F)(F)F)cc1Cl)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000415600272 563786725 /nfs/dbraw/zinc/78/67/25/563786725.db2.gz YFVFLTOXIIGSTR-OAHLLOKOSA-N 1 0 375.778 2.509 20 0 GFADRO COC(=O)c1cccc(NC(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)c1Br ZINC000415607990 563787494 /nfs/dbraw/zinc/78/74/94/563787494.db2.gz LCWWRMURCIIGLH-MNOVXSKESA-N 1 0 384.274 2.827 20 0 GFADRO COC(=O)c1cccc(NC(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c1Br ZINC000415604457 563787496 /nfs/dbraw/zinc/78/74/96/563787496.db2.gz FTOQASFXYVGACM-WCFLWFBJSA-N 1 0 396.285 2.827 20 0 GFADRO C[NH2+]CC1CCN(C(=O)Nc2cccc(C(=O)OC)c2Br)CC1 ZINC000415605045 563787512 /nfs/dbraw/zinc/78/75/12/563787512.db2.gz GRFOVMNULGKUQT-UHFFFAOYSA-N 1 0 384.274 2.699 20 0 GFADRO COC(=O)c1cc(NC(=O)N[C@H](C[NH3+])C(C)(C)C)cc(Br)c1F ZINC000415607933 563787521 /nfs/dbraw/zinc/78/75/21/563787521.db2.gz KVHYSLYKVUJEEM-LLVKDONJSA-N 1 0 390.253 2.870 20 0 GFADRO COC(=O)c1cc(NC(=O)N2C[C@H](C)[NH2+]C[C@@H]2C)cc(Br)c1F ZINC000415613637 563788173 /nfs/dbraw/zinc/78/81/73/563788173.db2.gz NOWZMYSPRKDIJH-IUCAKERBSA-N 1 0 388.237 2.589 20 0 GFADRO O=C(Nc1nnc(-c2ccc(Cl)cc2F)s1)N[C@@H]1C[NH2+]CCC1(F)F ZINC000415628109 563788717 /nfs/dbraw/zinc/78/87/17/563788717.db2.gz DNVYJJPJNIYLSN-SNVBAGLBSA-N 1 0 391.806 3.116 20 0 GFADRO C[C@H](CCC[NH3+])NC(=O)Nc1cc(Br)cc(C(=O)N2CCCC2)c1 ZINC000415633154 563789390 /nfs/dbraw/zinc/78/93/90/563789390.db2.gz HJMICHJAOUSSND-GFCCVEGCSA-N 1 0 397.317 2.934 20 0 GFADRO C[C@@H](CC[NH3+])NC(=O)Nc1cc(Br)cc(C(=O)N2CCCC2)c1 ZINC000415636897 563789531 /nfs/dbraw/zinc/78/95/31/563789531.db2.gz LVZDPQZDMCAYFN-NSHDSACASA-N 1 0 383.290 2.544 20 0 GFADRO CC[NH2+][C@H](C)CNC(=O)C(=O)Nc1ccc(Sc2nc(C)cs2)cc1 ZINC000415656104 563790575 /nfs/dbraw/zinc/79/05/75/563790575.db2.gz KNYRHOPNSVFRIV-LLVKDONJSA-N 1 0 378.523 2.655 20 0 GFADRO CC[NH2+][C@H](C)CNC(=O)C(=O)Nc1ccc(Br)c(C(F)(F)F)c1 ZINC000415663578 563790795 /nfs/dbraw/zinc/79/07/95/563790795.db2.gz YNIXWIGBBYSWIV-MRVPVSSYSA-N 1 0 396.207 2.521 20 0 GFADRO COC(=O)c1cc(NC(=O)N(C)[C@@H](C[NH3+])C2CC2)c(C)cc1Br ZINC000415706106 563791826 /nfs/dbraw/zinc/79/18/26/563791826.db2.gz KMTGTZWXITWXLU-AWEZNQCLSA-N 1 0 384.274 2.745 20 0 GFADRO COC(=O)c1cc(NC(=O)N[C@@H]2CC[C@H](C[NH3+])C2)c(C)cc1Br ZINC000415702216 563792024 /nfs/dbraw/zinc/79/20/24/563792024.db2.gz DAFSPNSWCGQMEO-WDEREUQCSA-N 1 0 384.274 2.793 20 0 GFADRO [NH3+]CC[C@H]1CCCN(C(=O)Nc2ccc3nccnc3c2Br)C1 ZINC000415705049 563792144 /nfs/dbraw/zinc/79/21/44/563792144.db2.gz KVOVXKMZAWJULL-LLVKDONJSA-N 1 0 378.274 2.985 20 0 GFADRO COC(=O)c1cc(NC(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)c(C)cc1Br ZINC000415713192 563792652 /nfs/dbraw/zinc/79/26/52/563792652.db2.gz WNANPWWIALGTKL-TXEJJXNPSA-N 1 0 396.285 2.902 20 0 GFADRO CC(C)Sc1ccc(Cl)cc1NC(=O)C(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000415749490 563793843 /nfs/dbraw/zinc/79/38/43/563793843.db2.gz QYZJSHHLBNNCAR-QWHCGFSZSA-N 1 0 381.929 2.847 20 0 GFADRO C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccc(Cl)s2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000365948817 563796127 /nfs/dbraw/zinc/79/61/27/563796127.db2.gz HQPFHTGVAQRUMN-KLHDSHLOSA-N 1 0 381.973 2.989 20 0 GFADRO Cc1ncc(Br)cc1NC(=O)NCCC[NH2+]Cc1cccnc1 ZINC000415788691 563796426 /nfs/dbraw/zinc/79/64/26/563796426.db2.gz OTYUMOKLIOKUET-UHFFFAOYSA-N 1 0 378.274 2.849 20 0 GFADRO [NH3+][C@H]1CCC[C@H](CNC(=O)C(=O)Nc2cccc(Br)c2Cl)C1 ZINC000415811729 563797648 /nfs/dbraw/zinc/79/76/48/563797648.db2.gz PCLZJTACZCWKDD-UWVGGRQHSA-N 1 0 388.693 2.675 20 0 GFADRO [NH3+][C@H]1CCC[C@@H](CNC(=O)C(=O)Nc2ccc(Cl)cc2Br)C1 ZINC000415806702 563797696 /nfs/dbraw/zinc/79/76/96/563797696.db2.gz KKOUNTYAXFETOI-KOLCDFICSA-N 1 0 388.693 2.675 20 0 GFADRO [NH3+]C[C@@H](NC(=O)C(=O)Nc1cc(Cl)cc(C(F)(F)F)c1)C1CCCC1 ZINC000415824110 563798303 /nfs/dbraw/zinc/79/83/03/563798303.db2.gz UAIGRRXLEPCUBI-CYBMUJFWSA-N 1 0 377.794 2.931 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000415825451 563798340 /nfs/dbraw/zinc/79/83/40/563798340.db2.gz ZUQPWSYGVZYZIE-AWEZNQCLSA-N 1 0 382.302 2.638 20 0 GFADRO Cc1cc(NC(=O)C(=O)N[C@@H](C[NH3+])C2CCCC2)cc(C)c1Br ZINC000415827952 563799123 /nfs/dbraw/zinc/79/91/23/563799123.db2.gz BCPLJEYCEQANBW-AWEZNQCLSA-N 1 0 382.302 2.638 20 0 GFADRO O=C(Cc1ccc(F)c(Br)c1)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000366200037 563801107 /nfs/dbraw/zinc/80/11/07/563801107.db2.gz ISCVFHMMLBFMMV-AWEZNQCLSA-N 1 0 385.277 2.500 20 0 GFADRO Cc1ccc(Cl)cc1N1CCN(C(=O)N[C@H](CC[NH3+])C(F)(F)F)CC1 ZINC000415991308 563801670 /nfs/dbraw/zinc/80/16/70/563801670.db2.gz FSASACILYXYYIX-CQSZACIVSA-N 1 0 378.826 2.760 20 0 GFADRO [NH3+]CC[C@H](NC(=O)NCc1c(Cl)cccc1-n1ccnc1)C(F)(F)F ZINC000416038999 563804010 /nfs/dbraw/zinc/80/40/10/563804010.db2.gz FPKREUQRKQGZFS-ZDUSSCGKSA-N 1 0 375.782 2.605 20 0 GFADRO CC(C)[NH+]1CCC(O)(CNS(=O)(=O)Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000443488255 563806515 /nfs/dbraw/zinc/80/65/15/563806515.db2.gz SLBOAEVZDPYFMT-UHFFFAOYSA-N 1 0 395.352 2.648 20 0 GFADRO C[NH+](C)C[C@H]1CN(C(=O)Cc2cc(Cl)c(Br)cc2F)CCO1 ZINC000416168530 563807883 /nfs/dbraw/zinc/80/78/83/563807883.db2.gz YQBKMQWMESENQV-NSHDSACASA-N 1 0 393.684 2.573 20 0 GFADRO O=S(=O)(c1ccc(F)cc1Br)N1CCC[C@H]2C[NH2+]CCC[C@@H]21 ZINC000366484926 563809992 /nfs/dbraw/zinc/80/99/92/563809992.db2.gz RRGWHAJIAJRDMR-FZMZJTMJSA-N 1 0 391.306 2.741 20 0 GFADRO C[C@@H]1C[C@H](NS(=O)(=O)c2ccc(Br)c(Cl)c2)CC[N@@H+]1C ZINC000443769321 563811668 /nfs/dbraw/zinc/81/16/68/563811668.db2.gz BFNAKTVUGIGUPN-NXEZZACHSA-N 1 0 381.723 2.864 20 0 GFADRO C[NH+](C)C[C@@H]1CCCN1S(=O)(=O)c1ccc(Br)c(Cl)c1 ZINC000443780125 563812482 /nfs/dbraw/zinc/81/24/82/563812482.db2.gz MXGGPLXVLIAMBZ-JTQLQIEISA-N 1 0 381.723 2.817 20 0 GFADRO O=C1NC(=O)[C@H]2CC[N@@H+](Cc3ccc(-c4cccc(Br)c4)o3)C[C@H]12 ZINC000366543826 563812857 /nfs/dbraw/zinc/81/28/57/563812857.db2.gz JUUSCVTYEQFBFF-GJZGRUSLSA-N 1 0 389.249 2.804 20 0 GFADRO Cc1ccc(-n2nc(Br)cc2C(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000293473199 563814074 /nfs/dbraw/zinc/81/40/74/563814074.db2.gz QSPYPXSSTLVEAY-UKRRQHHQSA-N 1 0 389.297 2.767 20 0 GFADRO O=S(=O)(CCC[NH2+]Cc1cnn(CC(F)F)c1)c1ccc(Cl)cc1 ZINC000293480848 563815079 /nfs/dbraw/zinc/81/50/79/563815079.db2.gz RUKFVKDZNWZQDB-UHFFFAOYSA-N 1 0 377.844 2.755 20 0 GFADRO Cc1cnc([C@@H]2CCCCN2CCOc2ccc(S(N)(=O)=O)cc2)s1 ZINC000366629743 563816360 /nfs/dbraw/zinc/81/63/60/563816360.db2.gz JWHZCJUIURHKPT-INIZCTEOSA-N 1 0 381.523 2.705 20 0 GFADRO COc1cc(OC)c(S(=O)(=O)NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)cc1Cl ZINC000416375261 563819300 /nfs/dbraw/zinc/81/93/00/563819300.db2.gz RLLQKOSVAQBIOH-QWHCGFSZSA-N 1 0 390.933 2.756 20 0 GFADRO Cc1cc(Br)cc(S(=O)(=O)NC[C@H](C)C[NH+]2CCCC2)c1 ZINC000444066429 563820154 /nfs/dbraw/zinc/82/01/54/563820154.db2.gz WXGSDPZKJIIDBW-ZDUSSCGKSA-N 1 0 375.332 2.768 20 0 GFADRO CS(=O)(=O)C1(C[NH2+]C2CCN(C(=O)c3ccc(Cl)cc3)CC2)CCC1 ZINC000366823232 563820834 /nfs/dbraw/zinc/82/08/34/563820834.db2.gz HCVDJBBRVIRIHC-UHFFFAOYSA-N 1 0 384.929 2.502 20 0 GFADRO O=C([C@@H]1C[C@]12CC[NH2+]C2)N1CCC[C@@H]1c1ccccc1I ZINC000444120764 563821939 /nfs/dbraw/zinc/82/19/39/563821939.db2.gz XCSFHKPQAGAGHY-LXZKKBNFSA-N 1 0 396.272 2.954 20 0 GFADRO COc1cc(S(=O)(=O)NCC(C)(C)[NH+]2CCC(OC)CC2)ccc1Cl ZINC000416393068 563822697 /nfs/dbraw/zinc/82/26/97/563822697.db2.gz UMAUZPKIOFBBTF-UHFFFAOYSA-N 1 0 390.933 2.516 20 0 GFADRO O=C(Nc1cc(Cl)cc(Cl)c1)[C@@H]1CCCN1C(=O)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000444145840 563822721 /nfs/dbraw/zinc/82/27/21/563822721.db2.gz YGQUQLPAVIOJCI-RLFYNMQTSA-N 1 0 382.291 2.923 20 0 GFADRO C[NH+]1CCC2(CCCN([C@H](C(N)=O)c3cccc(Br)c3)C2)CC1 ZINC000366863910 563822852 /nfs/dbraw/zinc/82/28/52/563822852.db2.gz ICBSRJRJRQOING-INIZCTEOSA-N 1 0 380.330 2.783 20 0 GFADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)c1ccc(Br)c(Cl)c1F ZINC000444172792 563823438 /nfs/dbraw/zinc/82/34/38/563823438.db2.gz BOYSUKSZXUIIDV-JTQLQIEISA-N 1 0 392.700 2.607 20 0 GFADRO O=S(=O)(c1cccc(Cl)c1Br)N1CCC2(C1)CC[NH2+]CC2 ZINC000366941067 563825061 /nfs/dbraw/zinc/82/50/61/563825061.db2.gz OPYQMEXBOUZXCG-UHFFFAOYSA-N 1 0 393.734 2.867 20 0 GFADRO COc1cc(OC)c(S(=O)(=O)N(CC[NH+](C)C)C2CCCC2)cc1Cl ZINC000416424480 563827331 /nfs/dbraw/zinc/82/73/31/563827331.db2.gz DGMKHMLDNSLYRN-UHFFFAOYSA-N 1 0 390.933 2.852 20 0 GFADRO Cn1cc([C@H]([NH2+]C[C@H]2CCCS(=O)(=O)C2)c2ccc(F)c(Cl)c2)cn1 ZINC000367055975 563828897 /nfs/dbraw/zinc/82/88/97/563828897.db2.gz UVRNXLOBVPFTSS-SJKOYZFVSA-N 1 0 385.892 2.716 20 0 GFADRO COc1cc(S(=O)(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)ccc1Cl ZINC000416443453 563829474 /nfs/dbraw/zinc/82/94/74/563829474.db2.gz ZIWZXVSIHHKSIY-DYVFJYSZSA-N 1 0 384.929 2.986 20 0 GFADRO COCCC[N@@H+]1CCCN(C(=O)c2cc(Br)cc3nc[nH]c32)CC1 ZINC000367088159 563830923 /nfs/dbraw/zinc/83/09/23/563830923.db2.gz UHAAWYAEBFDHLZ-UHFFFAOYSA-N 1 0 395.301 2.510 20 0 GFADRO COc1cc(S(=O)(=O)N2C[C@H](SC)[C@@H]([NH+]3CCCC3)C2)ccc1Cl ZINC000416465866 563832915 /nfs/dbraw/zinc/83/29/15/563832915.db2.gz NICHEMAXCLYRQO-HOCLYGCPSA-N 1 0 390.958 2.549 20 0 GFADRO CN(C(=O)c1ccc(NC(=O)C2SCCS2)cc1)[C@H]1CCC[N@H+](C)C1 ZINC000367141787 563833035 /nfs/dbraw/zinc/83/30/35/563833035.db2.gz RDHLZZLBSLTHSA-HNNXBMFYSA-N 1 0 379.551 2.597 20 0 GFADRO COc1cc(OC)c(S(=O)(=O)N[C@@H](C)C[NH+]2CCCCCC2)cc1Cl ZINC000416468185 563833450 /nfs/dbraw/zinc/83/34/50/563833450.db2.gz XTLRXPKBSHAUNJ-ZDUSSCGKSA-N 1 0 390.933 2.900 20 0 GFADRO CCC(CC)[C@H](CNS(=O)(=O)c1cccc(Cl)c1C(=O)OC)[NH+](C)C ZINC000416475442 563835124 /nfs/dbraw/zinc/83/51/24/563835124.db2.gz UQOQARGRCYVRDP-AWEZNQCLSA-N 1 0 390.933 2.771 20 0 GFADRO O=C1[C@H](N2CC[NH+]([C@H]3CCSC3)CC2)CCN1c1ccc(Cl)c(F)c1 ZINC000367199569 563835171 /nfs/dbraw/zinc/83/51/71/563835171.db2.gz CQFVMCHPCDCUSY-WMLDXEAASA-N 1 0 383.920 2.708 20 0 GFADRO NS(=O)(=O)CCC[NH2+][C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1 ZINC000444744867 563836740 /nfs/dbraw/zinc/83/67/40/563836740.db2.gz RKKGKFWYYWPCSL-NSHDSACASA-N 1 0 378.338 2.967 20 0 GFADRO CS(=O)(=O)N1CC[C@H](C[N@@H+]2CC[C@@H](c3cccc(C(F)(F)F)c3)C2)C1 ZINC000367273504 563839005 /nfs/dbraw/zinc/83/90/05/563839005.db2.gz DKFMEFWUYFQDJP-UKRRQHHQSA-N 1 0 376.444 2.776 20 0 GFADRO C[N@@H+]1CC[C@H](CNS(=O)(=O)c2ccc3cc(Br)ccc3c2)C1 ZINC000416499013 563839161 /nfs/dbraw/zinc/83/91/61/563839161.db2.gz ZQVDMBRIQZBTHS-GFCCVEGCSA-N 1 0 383.311 2.832 20 0 GFADRO C[N@H+](CCCCNS(=O)(=O)c1cc(F)ccc1Br)C1CC1 ZINC000416508671 563840779 /nfs/dbraw/zinc/84/07/79/563840779.db2.gz SAGOGHZVEMMKIG-UHFFFAOYSA-N 1 0 379.295 2.741 20 0 GFADRO C[NH+]1CCC2(CCCN2C(=O)Cc2cccc(I)c2)CC1 ZINC000367353685 563841596 /nfs/dbraw/zinc/84/15/96/563841596.db2.gz MCWGKDVRCBLWPT-UHFFFAOYSA-N 1 0 398.288 2.921 20 0 GFADRO O=C(NCCC[NH+]1CCCCC1)[C@H]1CC(=O)Nc2ccc(Br)cc21 ZINC000445244833 563845659 /nfs/dbraw/zinc/84/56/59/563845659.db2.gz AEFMTWUYVFGYPJ-HNNXBMFYSA-N 1 0 394.313 2.867 20 0 GFADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)Nc3ccc([S@](=O)C(F)(F)F)cc3)C[C@H]21 ZINC000367583068 563849191 /nfs/dbraw/zinc/84/91/91/563849191.db2.gz QLNSMRPLEAXBPE-KPMDBSTASA-N 1 0 375.416 2.872 20 0 GFADRO CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@H]1CC(=O)Nc2ccc(Br)cc21 ZINC000446019291 563856933 /nfs/dbraw/zinc/85/69/33/563856933.db2.gz IMKMWZWLZLIFML-HIFRSBDPSA-N 1 0 396.329 2.967 20 0 GFADRO C[C@@H](c1ncc(Br)cn1)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000367856524 563857761 /nfs/dbraw/zinc/85/77/61/563857761.db2.gz LWZOQTGDKUQZIW-AWEZNQCLSA-N 1 0 383.334 2.734 20 0 GFADRO CC(=O)Nc1ccc(S(=O)(=O)N(C)C(C)(C)C[NH+]2CCCC2)cc1Cl ZINC000416659557 563858952 /nfs/dbraw/zinc/85/89/52/563858952.db2.gz HXQWKBPIPSIGJE-UHFFFAOYSA-N 1 0 387.933 2.793 20 0 GFADRO C[NH+](C)C1(CNC(=O)C(=O)Nc2ccc(C(F)(F)F)cc2Cl)CCC1 ZINC000446174146 563860363 /nfs/dbraw/zinc/86/03/63/563860363.db2.gz BIQRFIIPZUGMBM-UHFFFAOYSA-N 1 0 377.794 2.898 20 0 GFADRO Cc1nc(C(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)nn1-c1c(Cl)cccc1Cl ZINC000368011797 563861476 /nfs/dbraw/zinc/86/14/76/563861476.db2.gz JQNKENNXVBGSKW-NEPJUHHUSA-N 1 0 380.279 2.564 20 0 GFADRO O=C(Cc1ccccc1I)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000368034390 563862680 /nfs/dbraw/zinc/86/26/80/563862680.db2.gz FDFADPPOWYWHIL-MRXNPFEDSA-N 1 0 398.288 2.824 20 0 GFADRO [NH3+][C@@H]1CCC[C@H](NC(=O)[C@H]2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)C1 ZINC000446398596 563863843 /nfs/dbraw/zinc/86/38/43/563863843.db2.gz ZSUWKKXFIXZGQX-OWCLPIDISA-N 1 0 384.307 2.984 20 0 GFADRO CCOc1c(Br)cc(C(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1OC ZINC000368097176 563863859 /nfs/dbraw/zinc/86/38/59/563863859.db2.gz WSHFITFZNURSSH-YPMHNXCESA-N 1 0 383.286 2.538 20 0 GFADRO CC[C@H]([NH2+][C@H]1CCc2nc[nH]c2C1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000368102566 563863880 /nfs/dbraw/zinc/86/38/80/563863880.db2.gz OUBOBVOVOQOWGP-JSGCOSHPSA-N 1 0 382.917 2.569 20 0 GFADRO O=C(CCC[S@](=O)c1ccc(Br)cc1)N[C@H]1CC12CC[NH2+]CC2 ZINC000368229684 563866688 /nfs/dbraw/zinc/86/66/88/563866688.db2.gz ULKKVNLKYYJCFO-WNSKOXEYSA-N 1 0 399.354 2.595 20 0 GFADRO C[C@H](NC(=O)N[C@H]1CC[NH2+]C[C@H]1C)c1cc2c(cc1Br)OCCO2 ZINC000417173126 563870032 /nfs/dbraw/zinc/87/00/32/563870032.db2.gz GVNKQYHLDCPCPV-SUNKGSAMSA-N 1 0 398.301 2.579 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2S(=O)(=O)c1cc(Cl)sc1Cl ZINC000446937181 563870254 /nfs/dbraw/zinc/87/02/54/563870254.db2.gz QRPSAHKVHHKOAI-GMTAPVOTSA-N 1 0 399.365 2.927 20 0 GFADRO [NH3+]C[C@H]1CC[C@H](CNC(=O)NCCOc2cccc(Br)c2)CC1 ZINC000417201681 563872585 /nfs/dbraw/zinc/87/25/85/563872585.db2.gz AGUFPWGKPZPQES-HDJSIYSDSA-N 1 0 384.318 2.892 20 0 GFADRO CC[N@@H+]1CC[C@@H](NCc2ccc(S(C)(=O)=O)c(C(F)(F)F)c2)[C@@H](C)C1 ZINC000447084626 563874261 /nfs/dbraw/zinc/87/42/61/563874261.db2.gz FCRYIGLUOUATCL-SWLSCSKDSA-N 1 0 378.460 2.929 20 0 GFADRO C[C@@H](CCn1cccn1)[NH2+]Cc1ccc(S(C)(=O)=O)c(C(F)(F)F)c1 ZINC000447095092 563874890 /nfs/dbraw/zinc/87/48/90/563874890.db2.gz WJHMXNDRJTVPRN-LBPRGKRZSA-N 1 0 375.416 2.874 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCN(C(=O)NC[C@@H]2CCN(c3cccc(Br)c3)C2)C1 ZINC000417257642 563875139 /nfs/dbraw/zinc/87/51/39/563875139.db2.gz CVGVFOOXTORAJM-KKUMJFAQSA-N 1 0 395.345 2.654 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)NC[C@@H]2CCN(c3cccc(Br)c3)C2)CC[NH2+]1 ZINC000417263171 563875618 /nfs/dbraw/zinc/87/56/18/563875618.db2.gz PHEXEIACANVKJH-YCPHGPKFSA-N 1 0 395.345 2.715 20 0 GFADRO CC(C)[N@H+](C)CCNC(=O)Nc1nnc(COc2ccc(Cl)cc2)s1 ZINC000417290022 563877252 /nfs/dbraw/zinc/87/72/52/563877252.db2.gz WHERSAURPLUOSV-UHFFFAOYSA-N 1 0 383.905 3.232 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000368722977 563877576 /nfs/dbraw/zinc/87/75/76/563877576.db2.gz UMWDVRNTWKGCIN-HUUCEWRRSA-N 1 0 384.567 2.609 20 0 GFADRO C[C@H](C[NH3+])CNS(=O)(=O)c1ccc(-c2ccc(Br)cc2)cc1 ZINC000447247817 563877953 /nfs/dbraw/zinc/87/79/53/563877953.db2.gz JYFSPDPYPQCZCD-GFCCVEGCSA-N 1 0 383.311 2.989 20 0 GFADRO CO[C@@H]1CCN(C(=O)NCc2ccc(Br)cc2Cl)[C@@H](C[NH3+])C1 ZINC000417338468 563878333 /nfs/dbraw/zinc/87/83/33/563878333.db2.gz KHGAZBRQCGCXRU-CHWSQXEVSA-N 1 0 390.709 2.750 20 0 GFADRO COC[C@H](C)OC[C@H](O)C[NH2+][C@H](C)c1ccc(Br)cc1OC ZINC000447270930 563879018 /nfs/dbraw/zinc/87/90/18/563879018.db2.gz KTFKYHAULDAQBQ-OUCADQQQSA-N 1 0 376.291 2.521 20 0 GFADRO CC[C@H]([NH2+][C@@H]1CCN(CC(F)F)C1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000417394195 563879188 /nfs/dbraw/zinc/87/91/88/563879188.db2.gz VIQSUIBECHDHFE-OCCSQVGLSA-N 1 0 395.903 2.628 20 0 GFADRO CC(C)[C@H]([NH3+])CNC(=O)NCc1cc(Br)ccc1OC(F)F ZINC000417407752 563879225 /nfs/dbraw/zinc/87/92/25/563879225.db2.gz NWFGIUMAEAQXHF-LLVKDONJSA-N 1 0 380.233 2.833 20 0 GFADRO C[C@H]1[NH2+]CCN(C(=O)NCc2cc(Br)ccc2OC(F)F)[C@H]1C ZINC000417398015 563879227 /nfs/dbraw/zinc/87/92/27/563879227.db2.gz ALQKLBCJAPQTPN-ZJUUUORDSA-N 1 0 392.244 2.942 20 0 GFADRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)NCc1cc(Br)ccc1OC(F)F ZINC000417402792 563879324 /nfs/dbraw/zinc/87/93/24/563879324.db2.gz FKCJQULLNZYSNW-CABZTGNLSA-N 1 0 392.244 2.848 20 0 GFADRO CC[NH2+]CC1CCN(C(=O)NCc2cc(Br)ccc2OC)CC1 ZINC000417377976 563879342 /nfs/dbraw/zinc/87/93/42/563879342.db2.gz GQSOJRLLABPXQM-UHFFFAOYSA-N 1 0 384.318 2.989 20 0 GFADRO CC(C)(CNC(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1)c1cccc(Br)c1 ZINC000417434926 563880253 /nfs/dbraw/zinc/88/02/53/563880253.db2.gz XZXTXDWUESDKSY-ZIAGYGMSSA-N 1 0 380.330 2.978 20 0 GFADRO COc1cc(Br)c(CNC(=O)N[C@@H]2CCC[C@H]([NH3+])C2)cc1OC ZINC000417449595 563880724 /nfs/dbraw/zinc/88/07/24/563880724.db2.gz YGKKGDANVBTOJD-NWDGAFQWSA-N 1 0 386.290 2.535 20 0 GFADRO CCCC[C@H](C[NH3+])NC(=O)N[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000417482994 563881126 /nfs/dbraw/zinc/88/11/26/563881126.db2.gz QRALKVRINFHXOV-CABCVRRESA-N 1 0 383.334 2.845 20 0 GFADRO C[C@H](C(=O)N1CCC[N@@H+]([C@@H](C)CO)CC1)c1ccc(Br)s1 ZINC000368975867 563883750 /nfs/dbraw/zinc/88/37/50/563883750.db2.gz SOAQSVOONHPBCB-RYUDHWBXSA-N 1 0 375.332 2.529 20 0 GFADRO C[NH2+]C[C@H]1CCCN(C(=O)N[C@H]2CCN(c3ccccc3Br)C2)C1 ZINC000417605632 563885943 /nfs/dbraw/zinc/88/59/43/563885943.db2.gz YXFGEANCIVZWKL-CABCVRRESA-N 1 0 395.345 2.669 20 0 GFADRO C[C@H]1CN(C(=O)NCCOc2ncc(C(F)(F)F)cc2Cl)[C@@H](C)C[NH2+]1 ZINC000417741619 563888497 /nfs/dbraw/zinc/88/84/97/563888497.db2.gz UWIAQLGIFCXFRI-UWVGGRQHSA-N 1 0 380.798 2.524 20 0 GFADRO C[C@H](CNC(=O)N1CCC[C@H](CC[NH3+])C1)Oc1ccc(Br)cc1 ZINC000417772980 563888629 /nfs/dbraw/zinc/88/86/29/563888629.db2.gz IKUVNNAHRKNSKB-ZIAGYGMSSA-N 1 0 384.318 2.987 20 0 GFADRO CO[C@H]1CCN(C(=O)NCc2cc(Cl)ccc2OC(F)F)[C@@H](C[NH3+])C1 ZINC000417776941 563889219 /nfs/dbraw/zinc/88/92/19/563889219.db2.gz BSIQVSRAPYSVSF-OLZOCXBDSA-N 1 0 377.819 2.589 20 0 GFADRO C[C@@H](CNC(=O)NC[C@@]1(C)CCC[NH2+]C1)Oc1ccc(Br)cc1 ZINC000417775539 563889419 /nfs/dbraw/zinc/88/94/19/563889419.db2.gz NMTIIMHAHBCORH-GUYCJALGSA-N 1 0 384.318 2.905 20 0 GFADRO CC[C@@H](Cc1ccccc1Br)NC(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000417879653 563890455 /nfs/dbraw/zinc/89/04/55/563890455.db2.gz FKETZLLMDLZHLA-GJZGRUSLSA-N 1 0 384.318 2.529 20 0 GFADRO C[C@H](Cc1ccc(F)c(Br)c1)NC(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000417896699 563890908 /nfs/dbraw/zinc/89/09/08/563890908.db2.gz HXYYCMVDOMGJFX-KFNAQCHYSA-N 1 0 384.293 2.913 20 0 GFADRO CCC(CC)[C@@H](C[NH2+]Cc1c(Br)c(C)nn1C)N1CCOCC1 ZINC000447932488 563891332 /nfs/dbraw/zinc/89/13/32/563891332.db2.gz SELRMSYWVASSBQ-OAHLLOKOSA-N 1 0 387.366 2.718 20 0 GFADRO C[C@H](Cc1ccc(F)c(Br)c1)NC(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000417904104 563891488 /nfs/dbraw/zinc/89/14/88/563891488.db2.gz SVYWBEQPMGLLAQ-PXAZEXFGSA-N 1 0 384.293 2.914 20 0 GFADRO C[C@H](CC[NH+](C)C)NC(=O)[C@H]1CCCN(c2ccc(Br)cn2)C1 ZINC000369310049 563892060 /nfs/dbraw/zinc/89/20/60/563892060.db2.gz KVFRBQAURZGFEX-KGLIPLIRSA-N 1 0 383.334 2.517 20 0 GFADRO CCNC(=O)C(C)(C)C[NH2+]Cc1ccc(F)cc1I ZINC000417949673 563892104 /nfs/dbraw/zinc/89/21/04/563892104.db2.gz JKJFBLPNDIJZDY-UHFFFAOYSA-N 1 0 378.229 2.682 20 0 GFADRO [NH3+]C[C@H](NC(=O)NCCCOc1ncc(C(F)(F)F)cc1Cl)C1CC1 ZINC000417957251 563892723 /nfs/dbraw/zinc/89/27/23/563892723.db2.gz JGFCLLKZMJDIEU-LBPRGKRZSA-N 1 0 380.798 2.559 20 0 GFADRO [NH3+][C@@H]1CCCN(C(=O)NCCCOc2ncc(C(F)(F)F)cc2Cl)C1 ZINC000417959826 563892755 /nfs/dbraw/zinc/89/27/55/563892755.db2.gz LYBLMTKNJMMJIB-LLVKDONJSA-N 1 0 380.798 2.655 20 0 GFADRO CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)N[C@@H](CC[NH3+])C(F)F ZINC000417971375 563892989 /nfs/dbraw/zinc/89/29/89/563892989.db2.gz AWSQEZMMTAZQBO-XDTLVQLUSA-N 1 0 394.260 2.807 20 0 GFADRO CO[C@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000417981529 563893430 /nfs/dbraw/zinc/89/34/30/563893430.db2.gz JZHNFNRPYNMUBB-PVUWLOKVSA-N 1 0 384.318 2.905 20 0 GFADRO CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000417981530 563893518 /nfs/dbraw/zinc/89/35/18/563893518.db2.gz JZHNFNRPYNMUBB-YLQAJVPDSA-N 1 0 384.318 2.905 20 0 GFADRO OCC[C@H]([NH2+]Cc1ccc(F)cc1I)C1CCOCC1 ZINC000417980262 563893751 /nfs/dbraw/zinc/89/37/51/563893751.db2.gz AZUIPPWWOUCJCM-HNNXBMFYSA-N 1 0 393.240 2.698 20 0 GFADRO CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000417998191 563894310 /nfs/dbraw/zinc/89/43/10/563894310.db2.gz USLYQGFOWNIEID-ZENOOKHLSA-N 1 0 384.318 2.824 20 0 GFADRO CO[C@@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)NCCC[NH2+]C1CC1 ZINC000418000050 563894564 /nfs/dbraw/zinc/89/45/64/563894564.db2.gz WAAJRSJOIWKAGT-MLGOLLRUSA-N 1 0 384.318 2.966 20 0 GFADRO C[NH2+][C@@H]1CCCN(C(=O)NCCCc2ccc(Br)cc2OC)C1 ZINC000418006191 563895058 /nfs/dbraw/zinc/89/50/58/563895058.db2.gz PXVPQLWXXFJWPL-OAHLLOKOSA-N 1 0 384.318 2.784 20 0 GFADRO Cc1cc(Br)cn2cc(CNC(=O)N3CCCC[C@H]3[C@H](C)[NH3+])nc12 ZINC000418020726 563895383 /nfs/dbraw/zinc/89/53/83/563895383.db2.gz HBBGCWXEURUGQN-WFASDCNBSA-N 1 0 394.317 2.817 20 0 GFADRO [NH3+]C[C@@H]1CC[C@H](NC(=O)N[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C1 ZINC000418016068 563895448 /nfs/dbraw/zinc/89/54/48/563895448.db2.gz ZPMQWGPPHWXGRR-JRPNMDOOSA-N 1 0 385.295 2.525 20 0 GFADRO C[NH2+]C[C@H]1CCCN(C(=O)NCc2cn3cc(Br)cc(C)c3n2)C1 ZINC000418023223 563895816 /nfs/dbraw/zinc/89/58/16/563895816.db2.gz LUAFOXCXHFXEAX-CYBMUJFWSA-N 1 0 394.317 2.546 20 0 GFADRO Cc1cc(Br)cn2cc(CCNC(=O)N[C@@H](C[NH3+])CC(C)C)nc12 ZINC000418024781 563895933 /nfs/dbraw/zinc/89/59/33/563895933.db2.gz UIEDRGZHCXPQFC-OAHLLOKOSA-N 1 0 396.333 2.620 20 0 GFADRO Cc1c(Br)cccc1NC(=O)C(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC000448317810 563896050 /nfs/dbraw/zinc/89/60/50/563896050.db2.gz BJUVXOYVKLABLT-HNNXBMFYSA-N 1 0 396.329 2.933 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)C(=O)NC[C@H]1[N@H+](C)CCCC1(C)C ZINC000448326861 563896175 /nfs/dbraw/zinc/89/61/75/563896175.db2.gz DVXDHISWYDDCDQ-OAHLLOKOSA-N 1 0 396.329 2.933 20 0 GFADRO CCCOC[C@H](Cc1cccc(Br)c1)NC(=O)NC[C@@H]1CCC[NH2+]1 ZINC000418036528 563896286 /nfs/dbraw/zinc/89/62/86/563896286.db2.gz WHBPBXXDMWLAAZ-IRXDYDNUSA-N 1 0 398.345 2.838 20 0 GFADRO C[C@H]([NH3+])CCNC(=O)NCc1cc(Br)ccc1Br ZINC000418038937 563896423 /nfs/dbraw/zinc/89/64/23/563896423.db2.gz HJLOSLZQNLUKIU-QMMMGPOBSA-N 1 0 379.096 2.748 20 0 GFADRO [NH3+][C@@H](CNC(=O)NCc1cc(Br)ccc1Br)C1CC1 ZINC000418047745 563896830 /nfs/dbraw/zinc/89/68/30/563896830.db2.gz QVFHBCQMGHDCHD-LBPRGKRZSA-N 1 0 391.107 2.748 20 0 GFADRO CCn1c(CNC(=O)N2CCCC[C@H]2C[NH3+])nc2cc(Br)ccc21 ZINC000418072925 563897684 /nfs/dbraw/zinc/89/76/84/563897684.db2.gz YXDNXRQZVOSPGJ-ZDUSSCGKSA-N 1 0 394.317 2.842 20 0 GFADRO COc1cc(Br)ccc1[C@@H](C)NC(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000418074662 563897719 /nfs/dbraw/zinc/89/77/19/563897719.db2.gz YASKYBLTLVMUPO-RNCFNFMXSA-N 1 0 392.244 2.815 20 0 GFADRO C[C@H]1[NH2+]CCN(C(=O)NCc2cnn(-c3ccc(Br)cc3)c2)[C@@H]1C ZINC000418086524 563898262 /nfs/dbraw/zinc/89/82/62/563898262.db2.gz CWONISYFFYYATP-CHWSQXEVSA-N 1 0 392.301 2.527 20 0 GFADRO Cc1ccc(Br)cc1CC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000448602179 563898496 /nfs/dbraw/zinc/89/84/96/563898496.db2.gz BCRTWRZVKDYPNB-KRWDZBQOSA-N 1 0 383.330 2.773 20 0 GFADRO O=C(N[C@@H]1CSc2ccc(Br)cc21)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000418090410 563898659 /nfs/dbraw/zinc/89/86/59/563898659.db2.gz CNKPROWYDAIKBC-MISXGVKJSA-N 1 0 382.327 2.847 20 0 GFADRO C[NH+]1CCN(CCNC(=O)c2ccc3scc(Br)c3c2)CC1 ZINC000448620938 563899207 /nfs/dbraw/zinc/89/92/07/563899207.db2.gz HAJURVCZIBEWMD-UHFFFAOYSA-N 1 0 382.327 2.641 20 0 GFADRO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000418114680 563899403 /nfs/dbraw/zinc/89/94/03/563899403.db2.gz OILZGHIRTIPRJR-GJZGRUSLSA-N 1 0 393.329 2.522 20 0 GFADRO O=C(N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000418124779 563899525 /nfs/dbraw/zinc/89/95/25/563899525.db2.gz ZTIIGYGFFRONLZ-RSUWNVLCSA-N 1 0 382.277 2.980 20 0 GFADRO O=C(N[C@H]1C[C@H](c2ccc(F)c(Br)c2)C1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000418120344 563899560 /nfs/dbraw/zinc/89/95/60/563899560.db2.gz AZFSVFBHQRXDSE-ZSZSROOQSA-N 1 0 382.277 2.695 20 0 GFADRO CC1(CNC(=O)N[C@H]2COc3cc(F)c(Br)cc32)CC[NH2+]CC1 ZINC000418149317 563899890 /nfs/dbraw/zinc/89/98/90/563899890.db2.gz DLAXAEIOJVAUCA-ZDUSSCGKSA-N 1 0 386.265 2.711 20 0 GFADRO O=C(N[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000418144183 563899994 /nfs/dbraw/zinc/89/99/94/563899994.db2.gz JWUDMRPFMLYRRB-JLJPHGGASA-N 1 0 383.323 2.538 20 0 GFADRO Cc1cc(CNC(=O)N(C2CC2)[C@H]2CC[NH2+]C2)ccc1I ZINC000418144736 563900016 /nfs/dbraw/zinc/90/00/16/563900016.db2.gz VCJRKSQPUXUFMD-AWEZNQCLSA-N 1 0 399.276 2.636 20 0 GFADRO O=C(NCCC[C@H]1CCC[NH2+]1)N[C@@H]1COc2cc(F)c(Br)cc21 ZINC000418149361 563900372 /nfs/dbraw/zinc/90/03/72/563900372.db2.gz DRAVIGUTEGKRJT-QMTHXVAHSA-N 1 0 386.265 2.853 20 0 GFADRO [NH3+]CC[C@H]1CCCN(C(=O)N[C@@H]2COc3cc(F)c(Br)cc32)C1 ZINC000418170234 563900406 /nfs/dbraw/zinc/90/04/06/563900406.db2.gz ZCESZVULWWMBGA-QMTHXVAHSA-N 1 0 386.265 2.792 20 0 GFADRO O=C(NCCC[C@H]1CCC[NH2+]1)N[C@H]1COc2cc(F)c(Br)cc21 ZINC000418149362 563900411 /nfs/dbraw/zinc/90/04/11/563900411.db2.gz DRAVIGUTEGKRJT-YGRLFVJLSA-N 1 0 386.265 2.853 20 0 GFADRO O=C(N[C@@H]1CCOc2c(Br)cccc21)N[C@@H]1C[NH2+]CCC1(F)F ZINC000418167010 563900423 /nfs/dbraw/zinc/90/04/23/563900423.db2.gz VDICEICWGBTYDU-VXGBXAGGSA-N 1 0 390.228 2.569 20 0 GFADRO Cc1ccc(CC(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)c(Br)c1 ZINC000448914897 563903066 /nfs/dbraw/zinc/90/30/66/563903066.db2.gz VVNFRVMNLGQZDI-INIZCTEOSA-N 1 0 383.330 2.869 20 0 GFADRO COCC[N@@H+]1CC[C@@H](NC(=O)c2cc3c(ccc(F)c3Br)[nH]2)C1 ZINC000448932422 563903383 /nfs/dbraw/zinc/90/33/83/563903383.db2.gz IUCBQEZCHHRAEQ-SNVBAGLBSA-N 1 0 384.249 2.520 20 0 GFADRO O=C(CCc1cccc(F)c1Br)NCC[NH+]1CCSCC1 ZINC000448962462 563904131 /nfs/dbraw/zinc/90/41/31/563904131.db2.gz RBDALKGSLRRPRE-UHFFFAOYSA-N 1 0 375.307 2.686 20 0 GFADRO CCS(=O)(=O)N(C)CCC[NH2+]Cc1cnc(CCc2ccccc2)s1 ZINC000449073856 563906417 /nfs/dbraw/zinc/90/64/17/563906417.db2.gz AKQZCUZVDISUOX-UHFFFAOYSA-N 1 0 381.567 2.690 20 0 GFADRO Fc1c(Br)cccc1C[NH2+]C[C@@]1(N2CCOCC2)CCSC1 ZINC000449089723 563906564 /nfs/dbraw/zinc/90/65/64/563906564.db2.gz FFRKVRHCAKRJPH-INIZCTEOSA-N 1 0 389.334 2.886 20 0 GFADRO CC(C)NS(=O)(=O)CC[NH2+]Cc1cnc(-c2c(F)cccc2F)s1 ZINC000449130794 563906885 /nfs/dbraw/zinc/90/68/85/563906885.db2.gz HVOGTTSNQXXAQP-UHFFFAOYSA-N 1 0 375.466 2.506 20 0 GFADRO CS(=O)(=O)N1CCC[C@H]([NH2+]Cc2cnc(-c3c(F)cccc3F)s2)C1 ZINC000449097299 563907062 /nfs/dbraw/zinc/90/70/62/563907062.db2.gz CYIIQBIFEVJIAP-NSHDSACASA-N 1 0 387.477 2.602 20 0 GFADRO CS(=O)(=O)c1cccc(C[NH2+]C[C@H](CO)Cc2c(F)cccc2Cl)c1 ZINC000449176128 563907776 /nfs/dbraw/zinc/90/77/76/563907776.db2.gz SCLMIQIFHSTDDM-CQSZACIVSA-N 1 0 385.888 2.823 20 0 GFADRO COCCO[C@H]1COCC[C@@H]1[NH2+]Cc1ccnc2c(Br)cccc12 ZINC000449258768 564177849 /nfs/dbraw/zinc/17/78/49/564177849.db2.gz QYDNRXRUPWVZMF-IRXDYDNUSA-N 1 0 395.297 2.907 20 0 GFADRO CS(=O)(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cnc(-c2ccccc2F)s1 ZINC000449253489 564177860 /nfs/dbraw/zinc/17/78/60/564177860.db2.gz VPTPCGAPRHJNOU-HZPDHXFCSA-N 1 0 383.514 2.899 20 0 GFADRO COc1cc(Br)ccc1[C@@H](C)NC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC000470832611 564178459 /nfs/dbraw/zinc/17/84/59/564178459.db2.gz SCQVQRCWQTZXRB-CHWSQXEVSA-N 1 0 385.302 2.603 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+][C@@H]1C[C@@H]2OCCC[C@H]12 ZINC000449273488 564178920 /nfs/dbraw/zinc/17/89/20/564178920.db2.gz YWKCRNCRSPTDCP-OFSOMGBPSA-N 1 0 397.313 2.620 20 0 GFADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[N@H+](C)[C@H]1CCCOC1 ZINC000449314742 564179389 /nfs/dbraw/zinc/17/93/89/564179389.db2.gz DYXOAKKMSARZIB-DOMZBBRYSA-N 1 0 385.302 2.573 20 0 GFADRO CCC[N@H+](C)C[C@@H]1CCN(c2ccc(S(N)(=O)=O)c(C(F)(F)F)c2)C1 ZINC000470872378 564179448 /nfs/dbraw/zinc/17/94/48/564179448.db2.gz JQHHKLSUJZBUPM-LBPRGKRZSA-N 1 0 379.448 2.521 20 0 GFADRO C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NCc1csc(-c2ccc(S(C)(=O)=O)cc2)n1 ZINC000563215563 564180011 /nfs/dbraw/zinc/18/00/11/564180011.db2.gz QYPHTJIXWAVPOE-PBFPGSCMSA-N 1 0 379.551 2.690 20 0 GFADRO CS(=O)(=O)N[C@H]1CCCC[C@H]1C[NH2+]Cc1cc(F)cc(Br)c1 ZINC000449317783 564180637 /nfs/dbraw/zinc/18/06/37/564180637.db2.gz CAVZSPPFNVPJAJ-WFASDCNBSA-N 1 0 393.322 2.786 20 0 GFADRO CS(=O)(=O)N[C@H]1CCCC[C@H]1C[NH2+]Cc1cccc(F)c1Br ZINC000449317329 564180664 /nfs/dbraw/zinc/18/06/64/564180664.db2.gz AXTGLGGAVOIXOT-FZMZJTMJSA-N 1 0 393.322 2.786 20 0 GFADRO CCn1nnc(C)c1CN(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000449325301 564180712 /nfs/dbraw/zinc/18/07/12/564180712.db2.gz LPPZZMZMOJJMPM-UHFFFAOYSA-N 1 0 380.334 2.933 20 0 GFADRO CC(C)N(C)c1ccc(C[NH2+]CCn2cc(Br)ccc2=O)cn1 ZINC000449374267 564182419 /nfs/dbraw/zinc/18/24/19/564182419.db2.gz DZLINCGEGIBYDW-UHFFFAOYSA-N 1 0 379.302 2.640 20 0 GFADRO O=c1ccc(Br)cn1CC[NH2+]Cc1c(C2CC2)nc2sccn12 ZINC000449375868 564182989 /nfs/dbraw/zinc/18/29/89/564182989.db2.gz JQLRPAVJMSSDKW-UHFFFAOYSA-N 1 0 393.310 2.987 20 0 GFADRO OCCCN1CCC[C@H]1C[NH2+]Cc1cc(Br)c2c(c1)OCCCO2 ZINC000449388027 564183141 /nfs/dbraw/zinc/18/31/41/564183141.db2.gz NTVFTDBYLVYWDR-HNNXBMFYSA-N 1 0 399.329 2.547 20 0 GFADRO CN(CC[N@H+](C)Cc1ccc(Cl)cc1F)c1ccc(S(N)(=O)=O)cc1 ZINC000449430360 564185982 /nfs/dbraw/zinc/18/59/82/564185982.db2.gz YYMJPNSKXJUCIE-UHFFFAOYSA-N 1 0 385.892 2.695 20 0 GFADRO COCC[NH2+]C1CCN(C(=O)CCOc2ccc(Cl)cc2Cl)CC1 ZINC000563335949 564186151 /nfs/dbraw/zinc/18/61/51/564186151.db2.gz FISQHGGLZNPDGS-UHFFFAOYSA-N 1 0 375.296 2.989 20 0 GFADRO Cn1ccnc1Sc1ncc(C(=O)N(CC[NH+](C)C)C2CC2)cc1Cl ZINC000505666238 564187492 /nfs/dbraw/zinc/18/74/92/564187492.db2.gz WRLVGSXHABVKPY-UHFFFAOYSA-N 1 0 379.917 2.786 20 0 GFADRO O=C1NCC[C@H]1CC[N@H+]1CCC[C@@H]1c1ccc(I)cc1 ZINC000563350517 564187725 /nfs/dbraw/zinc/18/77/25/564187725.db2.gz OXDSRFRYKHEBQI-DZGCQCFKSA-N 1 0 384.261 2.954 20 0 GFADRO C[NH+](C)CCN(C(=O)[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)C1CC1 ZINC000505655560 564187789 /nfs/dbraw/zinc/18/77/89/564187789.db2.gz JRCIDWZNBYANFX-CQSZACIVSA-N 1 0 384.307 2.899 20 0 GFADRO CC(C)C[NH+]1CCN(C(=O)c2c(F)cccc2I)CC1 ZINC000471165116 564188153 /nfs/dbraw/zinc/18/81/53/564188153.db2.gz LWACHCRKFDFUGV-UHFFFAOYSA-N 1 0 390.240 2.844 20 0 GFADRO CC(C)[N@@H+]1CCc2nc(CNCc3nn(C)cc3Br)sc2C1 ZINC000449485791 564188812 /nfs/dbraw/zinc/18/88/12/564188812.db2.gz RFFWMGBTGUPGAM-UHFFFAOYSA-N 1 0 384.347 2.695 20 0 GFADRO COc1ccsc1C[NH2+]Cc1ccccc1CS(=O)(=O)N1CCCC1 ZINC000538423441 564190725 /nfs/dbraw/zinc/19/07/25/564190725.db2.gz QIOMWGQSJNPJBR-UHFFFAOYSA-N 1 0 380.535 2.972 20 0 GFADRO OC[C@@H](C[NH2+]Cc1c[nH]c2nccnc12)Cc1cc(Br)ccc1F ZINC000449596311 564191069 /nfs/dbraw/zinc/19/10/69/564191069.db2.gz AUYCFDPAWOMRFK-LLVKDONJSA-N 1 0 393.260 2.752 20 0 GFADRO CCN1C[C@H]([NH2+]C[C@H](CO)Cc2ccc(OC)c(Br)c2)[C@@H](C)C1 ZINC000449601149 564192192 /nfs/dbraw/zinc/19/21/92/564192192.db2.gz QQYIYEXKFZIUJF-LXZKKBNFSA-N 1 0 385.346 2.539 20 0 GFADRO CC[C@@H]([NH2+]Cc1cc(Br)ccc1O[C@H](C)C(=O)NC)[C@@H](O)CC ZINC000449648181 564192973 /nfs/dbraw/zinc/19/29/73/564192973.db2.gz QHPJYJKAZJAELS-DFBGVHRSSA-N 1 0 387.318 2.602 20 0 GFADRO [NH3+]Cc1ccc(CNC(=O)N(CCO)Cc2ccc(Br)s2)cc1 ZINC000563533728 564195164 /nfs/dbraw/zinc/19/51/64/564195164.db2.gz CJUDNUDNKCZNKD-UHFFFAOYSA-N 1 0 398.326 2.673 20 0 GFADRO C=Cn1cc(C[NH2+]C[C@@H](CO)Cc2cc(Br)ccc2OC)cn1 ZINC000449678032 564195333 /nfs/dbraw/zinc/19/53/33/564195333.db2.gz DMJIGHCMTNUUMR-ZDUSSCGKSA-N 1 0 380.286 2.696 20 0 GFADRO O=C(C[NH+]1CCC(n2cc(Cl)cn2)CC1)N1CCC[C@H](C(F)(F)F)C1 ZINC000506056957 564196144 /nfs/dbraw/zinc/19/61/44/564196144.db2.gz QNXHZMJMOWPOSO-LBPRGKRZSA-N 1 0 378.826 2.974 20 0 GFADRO O=C(NCC1(c2cccc(Br)c2)CCOCC1)NC1CC[NH2+]CC1 ZINC000563550161 564196163 /nfs/dbraw/zinc/19/61/63/564196163.db2.gz LSHSZHHMRSWOFN-UHFFFAOYSA-N 1 0 396.329 2.549 20 0 GFADRO COc1ccc(Br)cc1C(=O)CCC(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000449709298 564197819 /nfs/dbraw/zinc/19/78/19/564197819.db2.gz IICLPZQIVCUWEH-DGCLKSJQSA-N 1 0 383.286 2.664 20 0 GFADRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)c2ccc(Br)cc2)C1 ZINC000471557701 564197820 /nfs/dbraw/zinc/19/78/20/564197820.db2.gz CQWIMWWHBGYGLK-MRXNPFEDSA-N 1 0 397.313 2.591 20 0 GFADRO C[NH+](C)C[C@H]1CCCN1S(=O)(=O)c1cc(Cl)c(Br)cc1F ZINC000471571203 564198550 /nfs/dbraw/zinc/19/85/50/564198550.db2.gz PYDLAROMRJNGEU-SECBINFHSA-N 1 0 399.713 2.956 20 0 GFADRO CS(=O)(=O)c1ccc(CNC[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)s1 ZINC000563607480 564199079 /nfs/dbraw/zinc/19/90/79/564199079.db2.gz SVUFKZBMUPLZNE-WMLDXEAASA-N 1 0 382.526 2.774 20 0 GFADRO C[NH2+][C@@H](CC(C)(C)C)C(=O)NCC(=O)Nc1cc(Br)ccc1C ZINC000563621192 564199413 /nfs/dbraw/zinc/19/94/13/564199413.db2.gz ZJGQVILRSOVGJK-AWEZNQCLSA-N 1 0 384.318 2.836 20 0 GFADRO C[NH+](C)[C@@]1(CNC(=O)N2CC[C@@H](Oc3ccccc3Cl)C2)CCSC1 ZINC000506327762 564200631 /nfs/dbraw/zinc/20/06/31/564200631.db2.gz LRPDRPXMVXJTER-RDTXWAMCSA-N 1 0 383.945 2.940 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[N@@H+]1CC[C@H](CCCO)C1 ZINC000449788190 564201701 /nfs/dbraw/zinc/20/17/01/564201701.db2.gz DBLUVAKFPDVXMP-KBPBESRZSA-N 1 0 399.329 2.557 20 0 GFADRO C[C@@H]1C[N@H+](CCO)CCN1Cc1ccc(OC(F)F)c(Br)c1 ZINC000449789205 564201877 /nfs/dbraw/zinc/20/18/77/564201877.db2.gz ZEVCTFMPPFIYOZ-LLVKDONJSA-N 1 0 379.245 2.549 20 0 GFADRO COc1ccc(CNc2cc(N3CCOCC3)c(Br)c[nH+]2)cc1F ZINC000449771691 564201991 /nfs/dbraw/zinc/20/19/91/564201991.db2.gz ZDAVJOVMOYTVDF-UHFFFAOYSA-N 1 0 396.260 3.441 20 0 GFADRO C[C@H]1C[N@H+](CCO)CCN1Cc1ccc(Br)c(Br)c1 ZINC000449785853 564202064 /nfs/dbraw/zinc/20/20/64/564202064.db2.gz JMYGPJGBNSIMFZ-NSHDSACASA-N 1 0 392.135 2.710 20 0 GFADRO C[C@@H](CNC(=O)[C@H]1Cc2cc(Br)ccc2O1)[N@@H+]1CCC[C@@H](C)C1 ZINC000471758219 564203698 /nfs/dbraw/zinc/20/36/98/564203698.db2.gz TWBCFXOKJRPOMO-IIYDPXPESA-N 1 0 381.314 2.989 20 0 GFADRO C[NH+](C)CCn1ccc(C(=O)NCCCc2ccc(Br)cc2F)n1 ZINC000563722061 564203992 /nfs/dbraw/zinc/20/39/92/564203992.db2.gz DGJVZMFDFYICFL-UHFFFAOYSA-N 1 0 397.292 2.709 20 0 GFADRO O=C(NCc1cc(Cl)sc1Cl)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000538916776 564205286 /nfs/dbraw/zinc/20/52/86/564205286.db2.gz DGWMHFRHBFDARE-LLVKDONJSA-N 1 0 378.325 2.919 20 0 GFADRO Cc1cc(C)c(C(=O)NC[C@H](O)C[NH+]2CCC(C)CC2)cc1Br ZINC000449852462 564205441 /nfs/dbraw/zinc/20/54/41/564205441.db2.gz TZMJKMAGALVMSB-HNNXBMFYSA-N 1 0 383.330 2.889 20 0 GFADRO C[C@@H]([NH2+][C@H]1CC(=O)N(CCN2CCOCC2)C1)c1cc(Cl)cc(Cl)c1 ZINC000539085515 564208278 /nfs/dbraw/zinc/20/82/78/564208278.db2.gz XJXLOFZYFNZTHH-DYVFJYSZSA-N 1 0 386.323 2.577 20 0 GFADRO C[C@@H]([NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1)c1ccc(Br)c(F)c1 ZINC000539046142 564208296 /nfs/dbraw/zinc/20/82/96/564208296.db2.gz VZLQTYQYFUKBKT-MNOVXSKESA-N 1 0 379.295 2.520 20 0 GFADRO COc1ccc(C(=O)CCC(=O)NC[C@@]2([NH+](C)C)CCSC2)c(Cl)c1 ZINC000506731435 564210735 /nfs/dbraw/zinc/21/07/35/564210735.db2.gz LGSDNNCHFDMCHN-SFHVURJKSA-N 1 0 384.929 2.865 20 0 GFADRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)c1c[nH]c2ncc(Br)cc12 ZINC000472032281 564211185 /nfs/dbraw/zinc/21/11/85/564211185.db2.gz PPJDIKBQHUIHMI-ZDUSSCGKSA-N 1 0 395.301 2.508 20 0 GFADRO CC(C)C[C@@H](CNC(=O)Cc1cccc(I)c1)[NH+](C)C ZINC000472065853 564211658 /nfs/dbraw/zinc/21/16/58/564211658.db2.gz YGFQNCCQZGEIMM-HNNXBMFYSA-N 1 0 388.293 2.926 20 0 GFADRO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(C(=O)c2sccc2Cl)CC1 ZINC000506790021 564211715 /nfs/dbraw/zinc/21/17/15/564211715.db2.gz XMMGBWUJNDSNTE-UHFFFAOYSA-N 1 0 385.961 2.958 20 0 GFADRO O=S(=O)(c1ccccc1)N1CCC(C[NH2+]Cc2ncc(Cl)s2)CC1 ZINC000472057542 564212100 /nfs/dbraw/zinc/21/21/00/564212100.db2.gz JQRHTNVJEZBAHV-UHFFFAOYSA-N 1 0 385.942 2.987 20 0 GFADRO O=C([C@H]1Cc2cc(Br)ccc2O1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000472094857 564212806 /nfs/dbraw/zinc/21/28/06/564212806.db2.gz GFHYZCZSDUWVOH-DOTOQJQBSA-N 1 0 379.298 2.839 20 0 GFADRO CN(C)S(=O)(=O)CCC[NH2+][C@H](Cc1ccc(Cl)cc1)c1ccccn1 ZINC000563910594 564212863 /nfs/dbraw/zinc/21/28/63/564212863.db2.gz NZFVELZIFTVUOT-GOSISDBHSA-N 1 0 381.929 2.890 20 0 GFADRO OCC[C@@H]([NH2+]C[C@@H](O)COc1cccc(Br)c1)c1ccccc1 ZINC000539229705 564214109 /nfs/dbraw/zinc/21/41/09/564214109.db2.gz LZFZVEFXLGHYNO-SJLPKXTDSA-N 1 0 380.282 2.902 20 0 GFADRO CC[C@H]1CN(C(=O)Cc2cc(Br)ccc2C)CC[N@@H+]1C[C@H](C)O ZINC000450029761 564214190 /nfs/dbraw/zinc/21/41/90/564214190.db2.gz WOROBRCZGABDFA-YOEHRIQHSA-N 1 0 383.330 2.604 20 0 GFADRO Cc1ccc(Br)cc1CC(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000450032552 564214331 /nfs/dbraw/zinc/21/43/31/564214331.db2.gz MLHHKGAMURSHNG-UHFFFAOYSA-N 1 0 381.314 2.623 20 0 GFADRO CN(CCC[N@H+](C)Cc1ccncc1)C(=O)c1ncsc1Br ZINC000563972850 564214511 /nfs/dbraw/zinc/21/45/11/564214511.db2.gz ONUWCOKWLHSGET-UHFFFAOYSA-N 1 0 383.315 2.895 20 0 GFADRO O=C([C@@H]1C[C@H]1c1ccc(Br)cc1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000450057860 564215464 /nfs/dbraw/zinc/21/54/64/564215464.db2.gz PSXAEPUKPWTNNL-FHLIZLRMSA-N 1 0 393.325 2.733 20 0 GFADRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)C(=O)NCc1c(Cl)cccc1Cl ZINC000563979107 564215995 /nfs/dbraw/zinc/21/59/95/564215995.db2.gz AELNDUDZZDNYRO-CHWSQXEVSA-N 1 0 386.323 2.989 20 0 GFADRO O=C(NCCCCn1cc(Br)cn1)NCC1CC[NH+](C2CC2)CC1 ZINC000472235649 564217294 /nfs/dbraw/zinc/21/72/94/564217294.db2.gz BDQLYMMXVVJLLS-UHFFFAOYSA-N 1 0 398.349 2.599 20 0 GFADRO COCCCS(=O)(=O)NCC[N@@H+]1CCCCC[C@@H]1/C=C\c1cccs1 ZINC000564047510 564217444 /nfs/dbraw/zinc/21/74/44/564217444.db2.gz NPOCQVAPEDZEMO-DOOKAGJSSA-N 1 0 386.583 2.962 20 0 GFADRO CCN(CC)S(=O)(=O)c1ccc(C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)s1 ZINC000539500019 564221166 /nfs/dbraw/zinc/22/11/66/564221166.db2.gz OJNCJAFZHDJBFP-DJIMGWMZSA-N 1 0 384.567 2.826 20 0 GFADRO CC[NH+](CC)CCOC1CCN(C(=O)Nc2ccncc2Br)CC1 ZINC000507223339 564222873 /nfs/dbraw/zinc/22/28/73/564222873.db2.gz GGNRMTVQQKAJIP-UHFFFAOYSA-N 1 0 399.333 2.621 20 0 GFADRO Cc1ccc(CC(=O)NCCCC[N@@H+]2CCC[C@H]2CO)c(Br)c1 ZINC000450241481 564223919 /nfs/dbraw/zinc/22/39/19/564223919.db2.gz JFFZQSUXGAITTH-INIZCTEOSA-N 1 0 383.330 2.653 20 0 GFADRO Cc1ccc(Br)c(S(=O)(=O)NCC[NH2+][C@H](C)c2ccncc2)c1 ZINC000507261431 564224329 /nfs/dbraw/zinc/22/43/29/564224329.db2.gz GSGYCKYQLPORDN-CYBMUJFWSA-N 1 0 398.326 2.782 20 0 GFADRO C[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl ZINC000472587784 564227886 /nfs/dbraw/zinc/22/78/86/564227886.db2.gz ZVQLQAIQQQHHFH-XHBSWPGZSA-N 1 0 385.917 2.579 20 0 GFADRO CCN1CCN(C(=O)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)[C@H](C)C1 ZINC000507423248 564229057 /nfs/dbraw/zinc/22/90/57/564229057.db2.gz REXHBGXKORVESH-SNVBAGLBSA-N 1 0 377.794 2.850 20 0 GFADRO CS(=O)(=O)C1CCC([NH2+]C[C@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000564444262 564233425 /nfs/dbraw/zinc/23/34/25/564233425.db2.gz RJQGYUTVMVYMFZ-CPCZMJQVSA-N 1 0 396.336 2.679 20 0 GFADRO CCc1nc(C(=O)N[C@H](CC[NH3+])C(F)F)nn1-c1c(Cl)cccc1Cl ZINC000564450569 564234767 /nfs/dbraw/zinc/23/47/67/564234767.db2.gz ASUKZOIJMLIZGF-SNVBAGLBSA-N 1 0 392.237 2.849 20 0 GFADRO Cc1ccc(Br)cc1C[NH+]1CCC([C@]2(C)NC(=O)NC2=O)CC1 ZINC000450481349 564234927 /nfs/dbraw/zinc/23/49/27/564234927.db2.gz VVWKHHCLVVTOJT-KRWDZBQOSA-N 1 0 380.286 2.568 20 0 GFADRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)c1ccccc1-n1cc(Br)cn1 ZINC000450541623 564237722 /nfs/dbraw/zinc/23/77/22/564237722.db2.gz RKJRLVYKONFUCF-QWHCGFSZSA-N 1 0 377.286 2.799 20 0 GFADRO CC[N@@H+]1CC[C@H]2OCCN(c3ncnc4cc(Br)ccc43)[C@H]2C1 ZINC000450541698 564237764 /nfs/dbraw/zinc/23/77/64/564237764.db2.gz FDRTULCFCDQIPS-JKSUJKDBSA-N 1 0 377.286 2.692 20 0 GFADRO C[C@H]1[C@H](NC(=O)c2ccc(I)cc2F)CCC[N@@H+]1C ZINC000450548253 564238930 /nfs/dbraw/zinc/23/89/30/564238930.db2.gz HDFZGTODEZAHON-TVQRCGJNSA-N 1 0 376.213 2.643 20 0 GFADRO COCCC[C@@H]([NH2+]C[C@@H](C)S(C)(=O)=O)c1ccc(Br)cc1 ZINC000540140947 564239740 /nfs/dbraw/zinc/23/97/40/564239740.db2.gz BLLISNWFKSKXMB-IUODEOHRSA-N 1 0 378.332 2.940 20 0 GFADRO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CC[C@H](C)[S@](C)=O ZINC000540157839 564240545 /nfs/dbraw/zinc/24/05/45/564240545.db2.gz PZENJRJVALSVSL-IDFMNXDXSA-N 1 0 375.332 2.913 20 0 GFADRO OCCC[N@@H+]1CCC[C@H]1CNc1ccc(Br)c(C(F)(F)F)n1 ZINC000450600063 564240711 /nfs/dbraw/zinc/24/07/11/564240711.db2.gz VEHLHOHHNUZYMK-JTQLQIEISA-N 1 0 382.224 3.122 20 0 GFADRO CC(C)[N@H+](C)C[C@H](C)NS(=O)(=O)c1cc(Br)c(F)cc1F ZINC000564613377 564241468 /nfs/dbraw/zinc/24/14/68/564241468.db2.gz MMWDZDWMJNXCDR-VIFPVBQESA-N 1 0 385.274 2.734 20 0 GFADRO CC[C@H]1C[C@H](C[NH+]2CCN(c3ncc(Br)c(OC)n3)CC2)CCO1 ZINC000507770277 564242994 /nfs/dbraw/zinc/24/29/94/564242994.db2.gz CZUKWHGGECRHMA-KGLIPLIRSA-N 1 0 399.333 2.575 20 0 GFADRO C[C@H](O)C[N@@H+]1CCN(C(=O)CCCOc2ccccc2Br)[C@@H](C)C1 ZINC000473362771 564245494 /nfs/dbraw/zinc/24/54/94/564245494.db2.gz AMEOQXBAMNBOEZ-GJZGRUSLSA-N 1 0 399.329 2.522 20 0 GFADRO CC(=O)N1CCC[N@H+](C[C@H]2CCCN(c3cncc(Br)c3)C2)CC1 ZINC000450763015 564246641 /nfs/dbraw/zinc/24/66/41/564246641.db2.gz BEBKVWQKCFOMOS-MRXNPFEDSA-N 1 0 395.345 2.615 20 0 GFADRO Cc1cc(Br)cc2c(C(=O)NCCCN3CC[NH+](C)CC3)coc21 ZINC000473492390 564248370 /nfs/dbraw/zinc/24/83/70/564248370.db2.gz OKTYIPCJOJBTJF-UHFFFAOYSA-N 1 0 394.313 2.871 20 0 GFADRO CSCc1cnc(C[NH2+]CCCCN2C(=O)NC3(CCCC3)C2=O)s1 ZINC000564785903 564248977 /nfs/dbraw/zinc/24/89/77/564248977.db2.gz FEMOULFDUAZTNR-UHFFFAOYSA-N 1 0 382.555 2.741 20 0 GFADRO CSCC[C@@H]([NH3+])C(=O)NCc1cc(Cl)cc(I)c1 ZINC000564832141 564250539 /nfs/dbraw/zinc/25/05/39/564250539.db2.gz KBRQGXJYZCGZBY-LLVKDONJSA-N 1 0 398.697 2.641 20 0 GFADRO COC[C@]1(C(=O)N[C@H]2C[C@H](c3ccc(F)c(Br)c3)C2)CC[NH2+]C1 ZINC000564831261 564250990 /nfs/dbraw/zinc/25/09/90/564250990.db2.gz UCUJWVXMWYMBSO-DCGLDWPTSA-N 1 0 385.277 2.577 20 0 GFADRO C[NH2+]C(C)(C)CNC(=O)Nc1cc(Br)cnc1OCC(F)(F)F ZINC000540553573 564251429 /nfs/dbraw/zinc/25/14/29/564251429.db2.gz GNPUEUKNXZUQRR-UHFFFAOYSA-N 1 0 399.211 2.905 20 0 GFADRO O=C(NCCC[C@H]1CCC[NH2+]1)c1cnn(-c2cccc(Br)c2)c1 ZINC000564838557 564251519 /nfs/dbraw/zinc/25/15/19/564251519.db2.gz OWJDCWRNYBPBST-OAHLLOKOSA-N 1 0 377.286 2.897 20 0 GFADRO CS[C@H]1CN(Cc2ccc(I)cc2)C[C@@H]1[NH+](C)C ZINC000540578560 564252167 /nfs/dbraw/zinc/25/21/67/564252167.db2.gz NXOIVMODSNQGIS-KBPBESRZSA-N 1 0 376.307 2.769 20 0 GFADRO Cc1cc(NC(=O)CC[NH2+]C[C@H](C)Oc2cccc(Br)c2)no1 ZINC000564850487 564252199 /nfs/dbraw/zinc/25/21/99/564252199.db2.gz UNZCVPAOEVHAGT-LBPRGKRZSA-N 1 0 382.258 3.131 20 0 GFADRO CO[C@H](c1ccc(Br)cc1)[C@H](C)[NH2+]CCC(=O)Nc1cc(C)on1 ZINC000564848309 564252313 /nfs/dbraw/zinc/25/23/13/564252313.db2.gz BUXDZGANYIOPPK-SJCJKPOMSA-N 1 0 396.285 3.440 20 0 GFADRO CS[C@H]1CN(CC(=O)N(C)Cc2cc(Cl)cc(Cl)c2)C[C@H]1[NH+](C)C ZINC000540592398 564252360 /nfs/dbraw/zinc/25/23/60/564252360.db2.gz LMRMYBJZLZJIIU-CVEARBPZSA-N 1 0 390.380 2.929 20 0 GFADRO Cc1csc(C(=O)N2CCC([C@@H](C)[NH3+])CC2)c1I ZINC000564941167 564257867 /nfs/dbraw/zinc/25/78/67/564257867.db2.gz BIFPTVHFOYGOLV-SECBINFHSA-N 1 0 378.279 2.861 20 0 GFADRO C[C@H](C[C@H](C)[NH3+])NC(=O)N[C@H](C)c1cc2c(cc1Br)OCCO2 ZINC000564938900 564258101 /nfs/dbraw/zinc/25/81/01/564258101.db2.gz VWUPLMOFIVRJJD-HBNTYKKESA-N 1 0 386.290 2.706 20 0 GFADRO COC(=O)c1cc(Cl)c(C)c(S(=O)(=O)Nc2cc[nH+]c(N(C)C)c2)c1 ZINC000450974647 564258164 /nfs/dbraw/zinc/25/81/64/564258164.db2.gz NDJQZAPNTDEZHX-UHFFFAOYSA-N 1 0 383.857 2.697 20 0 GFADRO COc1cc(Br)cc(S(=O)(=O)N[C@@H](C)C[NH+]2CCCCC2)c1 ZINC000473959990 564259534 /nfs/dbraw/zinc/25/95/34/564259534.db2.gz ZQRXDKJBAFIYEW-LBPRGKRZSA-N 1 0 391.331 2.610 20 0 GFADRO COc1ccc(Br)cc1CNC(=O)NCC1(C)CC[NH+](C)CC1 ZINC000508271811 564259683 /nfs/dbraw/zinc/25/96/83/564259683.db2.gz FESOQYSBAPBQBP-UHFFFAOYSA-N 1 0 384.318 2.989 20 0 GFADRO CC[C@@H]([NH3+])CNS(=O)(=O)c1csc(-c2cccc(Br)c2)n1 ZINC000564966994 564259903 /nfs/dbraw/zinc/25/99/03/564259903.db2.gz QCFQEBMWRFWWNK-LLVKDONJSA-N 1 0 390.328 2.588 20 0 GFADRO CCN(CCC[NH+](CC)CC)S(=O)(=O)c1cc2c(cc1Cl)OCCO2 ZINC000473950172 564260084 /nfs/dbraw/zinc/26/00/84/564260084.db2.gz XONJSLDTQPOAFR-UHFFFAOYSA-N 1 0 390.933 2.854 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)c(C)c1C(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000564995483 564261649 /nfs/dbraw/zinc/26/16/49/564261649.db2.gz XYHMCIFOBHLRGG-MEDUHNTESA-N 1 0 391.313 2.979 20 0 GFADRO C[C@@H](NC(=O)N[C@@H](CCO)c1ccccc1Br)C1=CC[N@H+](C)CC1 ZINC000541018790 564263257 /nfs/dbraw/zinc/26/32/57/564263257.db2.gz HPIROCMPYILGRL-DYVFJYSZSA-N 1 0 396.329 2.822 20 0 GFADRO CCC[C@H](C)[C@H](CO)[NH2+][C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000565089898 564265799 /nfs/dbraw/zinc/26/57/99/564265799.db2.gz UZKOADYVPRHQGR-MJVIPROJSA-N 1 0 393.347 2.544 20 0 GFADRO C[N@@H+]1CCCC[C@H]1CCC(=O)NC[C@@H](CO)Cc1cccc(Br)c1 ZINC000508577325 564266490 /nfs/dbraw/zinc/26/64/90/564266490.db2.gz KUELGGBGHNMAGW-WMZOPIPTSA-N 1 0 397.357 2.981 20 0 GFADRO COCC[N@@H+]1CCN(c2nnc(-c3cc(Cl)ccc3Cl)n2C)C[C@H]1C ZINC000508566794 564266799 /nfs/dbraw/zinc/26/67/99/564266799.db2.gz AUUBVIBZDQSHBQ-GFCCVEGCSA-N 1 0 384.311 2.946 20 0 GFADRO CCC[C@H]([NH2+]C(C)C)C(=O)NC[C@H](CO)Cc1cccc(Br)c1 ZINC000508573686 564266832 /nfs/dbraw/zinc/26/68/32/564266832.db2.gz WNBQJFKVMGJRBZ-WBVHZDCISA-N 1 0 385.346 2.883 20 0 GFADRO C[C@H]([NH2+]C[C@H]1CCNC(=O)CC1)c1ccc(Br)cc1OCCCO ZINC000451047623 564267327 /nfs/dbraw/zinc/26/73/27/564267327.db2.gz CQKUQQTVHNQERB-UONOGXRCSA-N 1 0 399.329 2.777 20 0 GFADRO C[C@@H]1CCc2ccc(Br)cc2[C@@H]([NH2+]C[C@@H](O)Cn2ccnn2)C1 ZINC000565141199 564267467 /nfs/dbraw/zinc/26/74/67/564267467.db2.gz DINIVIZIEAEXCN-VMGRFDJRSA-N 1 0 379.302 2.705 20 0 GFADRO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)CNC(=O)c1ccc(Br)cc1 ZINC000474161647 564267589 /nfs/dbraw/zinc/26/75/89/564267589.db2.gz YFFVZQNNMTVZDH-KBPBESRZSA-N 1 0 396.329 2.558 20 0 GFADRO COc1cc(C(F)(F)F)cc(S(=O)(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)c1 ZINC000451060493 564268907 /nfs/dbraw/zinc/26/89/07/564268907.db2.gz YGRYGKQQFJOGHE-HUUCEWRRSA-N 1 0 378.416 2.619 20 0 GFADRO C[NH+](C)[C@H]1CCCN(C(=O)N[C@@H]2COc3cc(F)c(Br)cc32)C1 ZINC000508668350 564269534 /nfs/dbraw/zinc/26/95/34/564269534.db2.gz UUCRAXKQZYWPJQ-IINYFYTJSA-N 1 0 386.265 2.757 20 0 GFADRO COC(=O)CN1CCC([NH2+][C@H](C)Cc2cc(Br)ccc2F)CC1 ZINC000541240212 564270893 /nfs/dbraw/zinc/27/08/93/564270893.db2.gz YKQMOTHVKOUELP-GFCCVEGCSA-N 1 0 387.293 2.746 20 0 GFADRO O=C(NCCOc1ncc(Cl)cc1Cl)c1ccc2c(c1)CC[NH2+]CC2 ZINC000474313969 564274138 /nfs/dbraw/zinc/27/41/38/564274138.db2.gz QMHQLJCTKYQLFS-UHFFFAOYSA-N 1 0 380.275 2.885 20 0 GFADRO CCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cc(C)cc(Br)c1 ZINC000508969122 564277770 /nfs/dbraw/zinc/27/77/70/564277770.db2.gz MAZVHLGLGDSVKA-HNNXBMFYSA-N 1 0 382.302 2.687 20 0 GFADRO CCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cc(F)ccc1Br ZINC000508999960 564278515 /nfs/dbraw/zinc/27/85/15/564278515.db2.gz UENZQEMZJQHVQT-LBPRGKRZSA-N 1 0 386.265 2.517 20 0 GFADRO O=C(N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)[C@H]1CC12CC[NH2+]CC2 ZINC000565421632 564280179 /nfs/dbraw/zinc/28/01/79/564280179.db2.gz WQACCFMJTJFDBO-IUODEOHRSA-N 1 0 382.291 2.605 20 0 GFADRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)C(=O)NCc1cccc(Cl)c1Cl ZINC000565436489 564280681 /nfs/dbraw/zinc/28/06/81/564280681.db2.gz SEULQUXAQHKUDS-CQSZACIVSA-N 1 0 386.323 2.942 20 0 GFADRO Cc1ccc(Br)cc1S(=O)(=O)N[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000474574062 564281558 /nfs/dbraw/zinc/28/15/58/564281558.db2.gz HOMJGCJQYYLMOZ-AWEZNQCLSA-N 1 0 375.332 2.909 20 0 GFADRO C[C@H](C(=O)NCCCC[NH+]1CCN(C)CC1)c1cccc(Br)c1 ZINC000565454610 564281753 /nfs/dbraw/zinc/28/17/53/564281753.db2.gz LNOYAHHXOJTTCL-HNNXBMFYSA-N 1 0 382.346 2.696 20 0 GFADRO C[C@H](CCC(F)(F)F)[NH2+]Cc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000541536827 564282270 /nfs/dbraw/zinc/28/22/70/564282270.db2.gz QGKJSHZWYBUHHA-CYBMUJFWSA-N 1 0 380.432 2.528 20 0 GFADRO C[NH+](C)CCC1CCN(S(=O)(=O)c2cccc(Br)c2F)CC1 ZINC000541536299 564282308 /nfs/dbraw/zinc/28/23/08/564282308.db2.gz LAJNFZPRMISWBF-UHFFFAOYSA-N 1 0 393.322 2.941 20 0 GFADRO CC[NH+](CC)CCCNC(=O)c1cc(I)ccc1F ZINC000474672678 564285233 /nfs/dbraw/zinc/28/52/33/564285233.db2.gz YSNDJGAPPYVJQA-UHFFFAOYSA-N 1 0 378.229 2.892 20 0 GFADRO C[C@@H]([NH2+]CCS(=O)(=O)N1CCSCC1)C1CCC(C(F)(F)F)CC1 ZINC000474715046 564286724 /nfs/dbraw/zinc/28/67/24/564286724.db2.gz PRKYVAUDCHEGMF-IYXRBSQSSA-N 1 0 388.521 2.712 20 0 GFADRO CSc1ccc(OC[C@@H](O)C[NH2+]C[C@H]2CCN(CC(F)(F)F)C2)cc1 ZINC000565593189 564287366 /nfs/dbraw/zinc/28/73/66/564287366.db2.gz FDFAQTSZFLLICG-KGLIPLIRSA-N 1 0 378.460 2.622 20 0 GFADRO O=S(=O)(NCCC[NH+]1CCC(O)CC1)c1sc2ccccc2c1Cl ZINC000451229407 564288987 /nfs/dbraw/zinc/28/89/87/564288987.db2.gz RHGGFHJKGMPDLQ-UHFFFAOYSA-N 1 0 388.942 2.680 20 0 GFADRO CC(=O)N1CC[C@H]([NH2+][C@@H](C)CCc2ccc(I)cc2)C1 ZINC000474797893 564289597 /nfs/dbraw/zinc/28/95/97/564289597.db2.gz AWBKFEXGIRKAKG-LRDDRELGSA-N 1 0 386.277 2.823 20 0 GFADRO C[C@H]([NH2+]CCNS(=O)(=O)Cc1ccon1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000474805640 564290095 /nfs/dbraw/zinc/29/00/95/564290095.db2.gz CJIRPECOGUGQDH-WCFLWFBJSA-N 1 0 389.930 2.591 20 0 GFADRO Cc1cc(I)ccc1NC(=O)C[NH2+][C@@H]1CCOC1(C)C ZINC000451241836 564290536 /nfs/dbraw/zinc/29/05/36/564290536.db2.gz KSXNWIZKWJAJKX-CYBMUJFWSA-N 1 0 388.249 2.695 20 0 GFADRO COc1c(C)cc(C)cc1S(=O)(=O)N1C[C@@H](SC)[C@@H]([NH+]2CCCC2)C1 ZINC000509287958 564292233 /nfs/dbraw/zinc/29/22/33/564292233.db2.gz PBBIJFFLGXTMJL-JKSUJKDBSA-N 1 0 384.567 2.512 20 0 GFADRO O=C(NCC[NH2+][C@@H]1CCc2c1cc(Br)cc2Cl)c1ccn[nH]1 ZINC000541882049 564293748 /nfs/dbraw/zinc/29/37/48/564293748.db2.gz KYCCSAMTJKDKPZ-CYBMUJFWSA-N 1 0 383.677 2.833 20 0 GFADRO Cn1ccc(CC[NH2+]Cc2c(F)ccc(I)c2F)n1 ZINC000474931205 564293945 /nfs/dbraw/zinc/29/39/45/564293945.db2.gz HAIBHGCXARIHGW-UHFFFAOYSA-N 1 0 377.176 2.635 20 0 GFADRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)c1cc(I)ccc1F ZINC000474937979 564294469 /nfs/dbraw/zinc/29/44/69/564294469.db2.gz CIDNLQRMERQUQR-NSHDSACASA-N 1 0 390.240 2.844 20 0 GFADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)N[C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000541977303 564296277 /nfs/dbraw/zinc/29/62/77/564296277.db2.gz FEBLAQFWJJKRBX-KKUMJFAQSA-N 1 0 385.339 2.784 20 0 GFADRO CC(C)N(CC[NH+](C)C)C(=O)Nc1ccc(S(C)(=O)=O)c(C(F)F)c1 ZINC000541961709 564296820 /nfs/dbraw/zinc/29/68/20/564296820.db2.gz CZKSFOAMKGBOCC-UHFFFAOYSA-N 1 0 377.457 2.832 20 0 GFADRO C[C@@H]1C[C@H](C[NH2+]CCS(=O)(=O)c2cccc(Br)c2)CCO1 ZINC000565828647 564297851 /nfs/dbraw/zinc/29/78/51/564297851.db2.gz XUBIDDJSCTZZAS-CHWSQXEVSA-N 1 0 376.316 2.628 20 0 GFADRO O=C(CC[NH2+][C@H](CCO)C1CCOCC1)Nc1ccc(Br)cc1 ZINC000565878660 564299868 /nfs/dbraw/zinc/29/98/68/564299868.db2.gz XFEJGSKHOXNWON-MRXNPFEDSA-N 1 0 385.302 2.545 20 0 GFADRO O=C(N[C@@H]1CCOc2c(Br)cccc21)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000565881922 564300711 /nfs/dbraw/zinc/30/07/11/564300711.db2.gz RZWMMVFCECYXHL-LALPHHSUSA-N 1 0 380.286 2.524 20 0 GFADRO C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+][C@H]1CCCS(=O)(=O)C1 ZINC000542137880 564302303 /nfs/dbraw/zinc/30/23/03/564302303.db2.gz IATXCHFHDYPIIO-NEPJUHHUSA-N 1 0 378.416 2.589 20 0 GFADRO OCC[C@@]1([NH2+]Cc2ccc(OC(F)(F)F)c(Br)c2)CCOC1 ZINC000475212833 564302972 /nfs/dbraw/zinc/30/29/72/564302972.db2.gz XXXLWOJBBHEZKG-CYBMUJFWSA-N 1 0 384.192 2.979 20 0 GFADRO CNC(=O)CN1CCC([NH2+][C@@H]2CCCc3c(Br)cccc32)CC1 ZINC000542152369 564303219 /nfs/dbraw/zinc/30/32/19/564303219.db2.gz URYMASNTUOHBAO-QGZVFWFLSA-N 1 0 380.330 2.627 20 0 GFADRO CCN(Cc1ccccc1Br)C(=O)NCC[N@H+](C)CCCOC ZINC000542179862 564304252 /nfs/dbraw/zinc/30/42/52/564304252.db2.gz UEBLDEWSPGEVLT-UHFFFAOYSA-N 1 0 386.334 2.949 20 0 GFADRO C[C@@H](C[NH2+]CC1(c2cccc(Br)c2)CCOCC1)S(C)(=O)=O ZINC000565992541 564305289 /nfs/dbraw/zinc/30/52/89/564305289.db2.gz MVFNRNLXXQKPLG-ZDUSSCGKSA-N 1 0 390.343 2.520 20 0 GFADRO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NC[C@@H](O)COc1cccc(Cl)c1Cl ZINC000475344631 564305819 /nfs/dbraw/zinc/30/58/19/564305819.db2.gz XLKZAUVPULCWCS-FRRDWIJNSA-N 1 0 375.296 2.722 20 0 GFADRO CCC[N@H+](C)[C@H](CNS(=O)(=O)c1c(C)cnn1C)c1ccc(Cl)cc1 ZINC000509627244 564306089 /nfs/dbraw/zinc/30/60/89/564306089.db2.gz XKYYNPKZYYTFTF-MRXNPFEDSA-N 1 0 384.933 2.743 20 0 GFADRO CS(=O)(=O)C1(C[NH2+]Cc2cc(Cl)ccc2OC[C@H]2CCCO2)CCC1 ZINC000475425382 564307945 /nfs/dbraw/zinc/30/79/45/564307945.db2.gz RVZQQDGLMWKBRY-MRXNPFEDSA-N 1 0 387.929 2.955 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2ccc(OCC(F)F)cc2)C[C@@H]1C ZINC000542269020 564308361 /nfs/dbraw/zinc/30/83/61/564308361.db2.gz YJHOTSZFNNWYGE-UONOGXRCSA-N 1 0 376.469 2.824 20 0 GFADRO O=C(CN[C@@H](c1ccccc1)c1ccc(Br)cc1)N1CC[NH2+]CC1 ZINC000566088147 564308442 /nfs/dbraw/zinc/30/84/42/564308442.db2.gz CZSCYTHGSJZCJU-IBGZPJMESA-N 1 0 388.309 2.560 20 0 GFADRO COc1ccc(C(=O)N2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)c(Br)c1 ZINC000566093697 564308656 /nfs/dbraw/zinc/30/86/56/564308656.db2.gz HWOZOTZYIMVRLO-SUMWQHHRSA-N 1 0 397.313 2.816 20 0 GFADRO [NH3+][C@@H]1CCC[C@H](CNC(=O)c2cnn(-c3ccc(Br)cc3)c2)C1 ZINC000566102763 564309248 /nfs/dbraw/zinc/30/92/48/564309248.db2.gz OQCPGCAEIPESGW-SWLSCSKDSA-N 1 0 377.286 2.882 20 0 GFADRO O=C(CC[NH2+]C[C@@H](O)COc1cccc(Br)c1)NC1CCCCC1 ZINC000566106678 564309450 /nfs/dbraw/zinc/30/94/50/564309450.db2.gz WXJXMAQSKDTMET-MRXNPFEDSA-N 1 0 399.329 2.617 20 0 GFADRO COc1ccc(C[NH2+]C[C@H](O)COc2cc(F)cc(Br)c2)cn1 ZINC000566107015 564309681 /nfs/dbraw/zinc/30/96/81/564309681.db2.gz DFRLZVVMDCINFJ-AWEZNQCLSA-N 1 0 385.233 2.521 20 0 GFADRO C[C@H](C[N@H+](C)CCC(=O)Nc1ccc(C(N)=O)c(Cl)c1)c1nccs1 ZINC000542306800 564309871 /nfs/dbraw/zinc/30/98/71/564309871.db2.gz JCZYSSCKPSOIGL-LLVKDONJSA-N 1 0 380.901 2.960 20 0 GFADRO O=C(Cc1ccc(F)c(Br)c1)N1CC[C@@H](OCC[NH+]2CCCC2)C1 ZINC000475453954 564309955 /nfs/dbraw/zinc/30/99/55/564309955.db2.gz OUWIYDFEWYXPAO-OAHLLOKOSA-N 1 0 399.304 2.844 20 0 GFADRO O=C(CC[NH2+]C[C@@H](O)COc1cccc(Br)c1)N1CCCCCC1 ZINC000566109195 564310476 /nfs/dbraw/zinc/31/04/76/564310476.db2.gz LCQIDVHWAKJHFP-MRXNPFEDSA-N 1 0 399.329 2.571 20 0 GFADRO C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)NC1CC1 ZINC000475581410 564313738 /nfs/dbraw/zinc/31/37/38/564313738.db2.gz JEXOFZAUNVGKDG-UHFFFAOYSA-N 1 0 380.341 2.744 20 0 GFADRO Cc1cc([C@@H](C)[NH2+]CC(=O)N(CC(C)C)[C@@H]2CCS(=O)(=O)C2)c(C)s1 ZINC000542509434 564316084 /nfs/dbraw/zinc/31/60/84/564316084.db2.gz BIROKZONAPMKFC-GDBMZVCRSA-N 1 0 386.583 2.687 20 0 GFADRO CN(Cc1ccccc1Br)C(=O)C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000451466244 564316322 /nfs/dbraw/zinc/31/63/22/564316322.db2.gz RBFZBJICCDOGLS-XYPHTWIQSA-N 1 0 381.314 2.811 20 0 GFADRO O=C(N[C@@H]1C[NH2+]CCC1(F)F)[C@@H]1C[C@@]12CCc1cc(Br)ccc12 ZINC000566211783 564316800 /nfs/dbraw/zinc/31/68/00/564316800.db2.gz KOTIKTIPXOLIGZ-SQWLQELKSA-N 1 0 385.252 2.766 20 0 GFADRO NC(=O)[C@@H]1CCC[C@@H]([NH2+]Cc2ncc(Br)cc2Br)C1 ZINC000542517192 564316922 /nfs/dbraw/zinc/31/69/22/564316922.db2.gz QEVSBDQZYXYFEW-PSASIEDQSA-N 1 0 391.107 2.740 20 0 GFADRO C[C@H]([NH3+])[C@H](C)NC(=O)c1cccn1-c1ccc(I)cc1 ZINC000566214095 564317369 /nfs/dbraw/zinc/31/73/69/564317369.db2.gz FVAYHCAWQLRDGB-QWRGUYRKSA-N 1 0 383.233 2.547 20 0 GFADRO NCc1noc(CCSCc2nc3sc4c(c3c(=O)[nH]2)CCCC4)n1 ZINC000566213655 564317401 /nfs/dbraw/zinc/31/74/01/564317401.db2.gz AAGURCSWEOECNT-UHFFFAOYSA-N 1 0 377.495 2.593 20 0 GFADRO C[C@H]([NH3+])C[C@H](C)NC(=O)Nc1ccnn1Cc1ccccc1Br ZINC000566228268 564317986 /nfs/dbraw/zinc/31/79/86/564317986.db2.gz CXRRLQIUHVPDQE-RYUDHWBXSA-N 1 0 380.290 2.941 20 0 GFADRO CCNC(=O)NC(=O)[C@@H](C)[N@@H+](Cc1cccc(Br)c1)CC1CC1 ZINC000475750058 564318077 /nfs/dbraw/zinc/31/80/77/564318077.db2.gz PFWXTQPFPOZJDS-GFCCVEGCSA-N 1 0 382.302 2.895 20 0 GFADRO Cc1ccc(S(=O)(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1Br ZINC000566224430 564318247 /nfs/dbraw/zinc/31/82/47/564318247.db2.gz ZTMYZQWKJZNOBR-ZIAGYGMSSA-N 1 0 387.343 2.768 20 0 GFADRO CC[C@H]1C[N@H+](C)CCCN1S(=O)(=O)c1cc(OC)cc(C(F)(F)F)c1 ZINC000451490603 564318895 /nfs/dbraw/zinc/31/88/95/564318895.db2.gz GQMWUDRBOLKOEL-ZDUSSCGKSA-N 1 0 380.432 2.819 20 0 GFADRO CC[C@@]1(C(=O)NCc2nc(-c3cccc(Br)c3)no2)CCC[NH2+]1 ZINC000566249894 564319503 /nfs/dbraw/zinc/31/95/03/564319503.db2.gz RYCZKDRLYTUCGX-INIZCTEOSA-N 1 0 379.258 2.648 20 0 GFADRO Cn1ncc(Br)c1C(=O)N[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000566319520 564323091 /nfs/dbraw/zinc/32/30/91/564323091.db2.gz GLYHJOWHMKBNJY-KRWDZBQOSA-N 1 0 377.286 2.577 20 0 GFADRO Cc1nc2ccc(Br)cn2c1C(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000475934309 564324288 /nfs/dbraw/zinc/32/42/88/564324288.db2.gz RRJVEJCEAAXBON-CQSZACIVSA-N 1 0 377.286 2.714 20 0 GFADRO O=C(c1cn2ccc(Br)cc2n1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000510211662 564328241 /nfs/dbraw/zinc/32/82/41/564328241.db2.gz VSIWXIBWVYZEKN-AWEZNQCLSA-N 1 0 377.286 2.797 20 0 GFADRO Cc1nc2ccc(Br)cn2c1C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000476230876 564331135 /nfs/dbraw/zinc/33/11/35/564331135.db2.gz LBHNMGGQAVIGLZ-INIZCTEOSA-N 1 0 397.342 2.572 20 0 GFADRO C[NH+](C)Cc1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)c[nH]c2=O)cc1 ZINC000476229383 564331417 /nfs/dbraw/zinc/33/14/17/564331417.db2.gz BFERDCIUYCHUGO-UHFFFAOYSA-N 1 0 375.372 2.668 20 0 GFADRO O=C(N[C@H]1CCSc2ccc(Cl)cc21)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000566617799 564334633 /nfs/dbraw/zinc/33/46/33/564334633.db2.gz UKDCONQSMTUTLX-OCCSQVGLSA-N 1 0 377.901 2.650 20 0 GFADRO O=C(NCC[NH2+][C@@H]1CCCc2c(Br)cccc21)c1cnccn1 ZINC000543081421 564336984 /nfs/dbraw/zinc/33/69/84/564336984.db2.gz WNMXCRIWOAIIPL-OAHLLOKOSA-N 1 0 375.270 2.636 20 0 GFADRO O=S(=O)(CC[NH2+]C1CC(c2cccc(Cl)c2)C1)NC[C@H]1CCCCO1 ZINC000543106585 564338495 /nfs/dbraw/zinc/33/84/95/564338495.db2.gz BHPYRCCRILNWFZ-VMWRSERWSA-N 1 0 386.945 2.664 20 0 GFADRO COC(=O)c1cc(NC(=O)NC[C@@H]2CCC[N@@H+]2C)cc(Br)c1F ZINC000566716049 564340195 /nfs/dbraw/zinc/34/01/95/564340195.db2.gz FKJVQYFDKPWCPP-JTQLQIEISA-N 1 0 388.237 2.591 20 0 GFADRO O=C(NCCOc1cccc(Br)c1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000566727273 564340367 /nfs/dbraw/zinc/34/03/67/564340367.db2.gz HPSAVDKVSLVULU-QGZVFWFLSA-N 1 0 382.302 2.613 20 0 GFADRO Cc1cc(Br)cc(C)c1N1CCC[C@@H]([N@H+](C)CCOCCO)C1=O ZINC000510633147 564341190 /nfs/dbraw/zinc/34/11/90/564341190.db2.gz JNVODKGRNALOFP-MRXNPFEDSA-N 1 0 399.329 2.502 20 0 GFADRO C[C@@H](C1CC[NH+](C)CC1)N(C)S(=O)(=O)c1ccc(Br)cc1F ZINC000476510655 564342359 /nfs/dbraw/zinc/34/23/59/564342359.db2.gz DOGYWXLEGZKDSH-NSHDSACASA-N 1 0 393.322 2.939 20 0 GFADRO O=C(N[C@H]1CCOc2c(Br)cccc21)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000566786295 564343271 /nfs/dbraw/zinc/34/32/71/564343271.db2.gz CKBVILOGLPJUOJ-WFASDCNBSA-N 1 0 380.286 2.809 20 0 GFADRO O=C(NCCC[NH+]1CCCC1)N[C@H]1CCN(c2ccccc2Br)C1 ZINC000476519928 564343252 /nfs/dbraw/zinc/34/32/52/564343252.db2.gz ZBBPITBEWSXRDX-HNNXBMFYSA-N 1 0 395.345 2.813 20 0 GFADRO C[NH+](C)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2Br)C1 ZINC000543244829 564343720 /nfs/dbraw/zinc/34/37/20/564343720.db2.gz HZHWUIOLSGHCIG-NSHDSACASA-N 1 0 381.723 2.817 20 0 GFADRO COC(=O)C[C@@H]1CSCC[N@@H+]1C[C@@H](O)CO[C@@H](C)c1ccc(Cl)cc1 ZINC000476571594 564345953 /nfs/dbraw/zinc/34/59/53/564345953.db2.gz KJVUJBPMCASZRK-IAOVAPTHSA-N 1 0 387.929 2.759 20 0 GFADRO CC(C)(C)[C@H]1CCN(C(=O)[C@](C)([NH3+])c2ccc(Br)cc2)C[C@H]1O ZINC000566854431 564346849 /nfs/dbraw/zinc/34/68/49/564346849.db2.gz NUBRYOKOQZJDQC-HDMKZQKVSA-N 1 0 383.330 2.879 20 0 GFADRO Fc1cc2ncnc(N3CC[C@@H](C[NH+]4CCOCC4)C3)c2cc1Br ZINC000543410068 564349784 /nfs/dbraw/zinc/34/97/84/564349784.db2.gz JQTVEHDGESTNGE-LBPRGKRZSA-N 1 0 395.276 2.690 20 0 GFADRO COC(=O)C[C@H]([NH2+]CC(=O)Nc1ccc(Br)cn1)C1CCCCC1 ZINC000543461022 564351770 /nfs/dbraw/zinc/35/17/70/564351770.db2.gz VDOHZRVCDNIEBS-AWEZNQCLSA-N 1 0 398.301 2.884 20 0 GFADRO O=C(CC[NH2+][C@H]1CCN(CC(F)F)C1)Nc1ccc(Br)cc1 ZINC000566968675 564351867 /nfs/dbraw/zinc/35/18/67/564351867.db2.gz DCIXRQNVWSVDQQ-ZDUSSCGKSA-N 1 0 376.245 2.707 20 0 GFADRO CCC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1cc(Br)ccc1OC ZINC000510986900 564352766 /nfs/dbraw/zinc/35/27/66/564352766.db2.gz XWRJMYBVISAZPV-ZDUSSCGKSA-N 1 0 391.331 2.610 20 0 GFADRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)c2c(Cl)cccc2S(C)(=O)=O)C1 ZINC000476840647 564354452 /nfs/dbraw/zinc/35/44/52/564354452.db2.gz CHSVLHMQXZGXTJ-KBPBESRZSA-N 1 0 386.945 2.841 20 0 GFADRO C[NH+](C)Cc1ccc(S(=O)(=O)N[C@@H](CO)c2cccc(Cl)c2F)cc1 ZINC000543623364 564356079 /nfs/dbraw/zinc/35/60/79/564356079.db2.gz AJSWKXVXDVTYOH-INIZCTEOSA-N 1 0 386.876 2.553 20 0 GFADRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1c(Cl)cccc1S(C)(=O)=O ZINC000476882021 564357697 /nfs/dbraw/zinc/35/76/97/564357697.db2.gz OREKSOYVKCHIFW-MGPQQGTHSA-N 1 0 386.945 2.840 20 0 GFADRO COCC1(C(=O)Nc2cnn(-c3ccccc3Br)c2)CC[NH2+]CC1 ZINC000567108212 564358450 /nfs/dbraw/zinc/35/84/50/564358450.db2.gz BDWRJTSAVUSZLU-UHFFFAOYSA-N 1 0 393.285 2.590 20 0 GFADRO [NH3+]CCc1nc(C(=O)N2CCC[C@H](c3nc4c(s3)CCCC4)C2)cs1 ZINC000567167896 564360330 /nfs/dbraw/zinc/36/03/30/564360330.db2.gz XXIJCYIPMVEUIT-LBPRGKRZSA-N 1 0 376.551 2.999 20 0 GFADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(Br)c(C)cc1OC ZINC000511206205 564362453 /nfs/dbraw/zinc/36/24/53/564362453.db2.gz ZUXUVLGMAROCRR-CYBMUJFWSA-N 1 0 385.302 2.607 20 0 GFADRO C[NH+](C)CCCC(C)(C)NS(=O)(=O)c1cc(F)ccc1Br ZINC000451899381 564363374 /nfs/dbraw/zinc/36/33/74/564363374.db2.gz YVCSYWXMMPARCX-UHFFFAOYSA-N 1 0 381.311 2.987 20 0 GFADRO Cn1ccnc1[C@H](NS(=O)(=O)c1cc(F)ccc1Br)C1CC1 ZINC000511272961 564364735 /nfs/dbraw/zinc/36/47/35/564364735.db2.gz SJSREHQGQDHZLS-CYBMUJFWSA-N 1 0 388.262 2.751 20 0 GFADRO O[C@H](COc1cc(F)cc(Br)c1)C[N@@H+]1CCC[C@@]2(CCOC2)C1 ZINC000451906110 564364866 /nfs/dbraw/zinc/36/48/66/564364866.db2.gz DZOSYCITPVLBLW-DOTOQJQBSA-N 1 0 388.277 2.830 20 0 GFADRO CS[C@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)C[C@H]1[NH+]1CCCC1 ZINC000477136647 564366036 /nfs/dbraw/zinc/36/60/36/564366036.db2.gz CYZWWLXVCVAYQX-CABCVRRESA-N 1 0 394.484 2.906 20 0 GFADRO CCC[N@H+](C)[C@@H](CNS(=O)(=O)C[C@@H](C)COC)c1ccc(Cl)cc1 ZINC000567312845 564366171 /nfs/dbraw/zinc/36/61/71/564366171.db2.gz GHEZVXPHCIVNKY-YOEHRIQHSA-N 1 0 376.950 2.925 20 0 GFADRO Cn1ccnc1[C@H](NS(=O)(=O)c1cc(Br)ccc1F)C1CC1 ZINC000511299856 564366517 /nfs/dbraw/zinc/36/65/17/564366517.db2.gz IWJUMCILDYZUQE-CYBMUJFWSA-N 1 0 388.262 2.751 20 0 GFADRO C[C@@H](CNS(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCCCO1)[NH+](C)C ZINC000451924834 564367617 /nfs/dbraw/zinc/36/76/17/564367617.db2.gz FNNUPGKYKVWHHM-DZGCQCFKSA-N 1 0 390.933 2.516 20 0 GFADRO O=C(NCC[NH2+]C[C@@H](O)COc1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000567377762 564369325 /nfs/dbraw/zinc/36/93/25/564369325.db2.gz BHQHXHJAAHEWHS-MRXNPFEDSA-N 1 0 383.275 2.753 20 0 GFADRO C[NH+](C)[C@H]1CCCN(C(=O)c2cc(Br)cnc2OCC2CC2)C1 ZINC000511445738 564372837 /nfs/dbraw/zinc/37/28/37/564372837.db2.gz QVJTYOVSMDDACN-AWEZNQCLSA-N 1 0 382.302 2.799 20 0 GFADRO C[C@](CO)([NH2+]Cc1ccc(S(C)(=O)=O)cc1)c1ccc(Br)cc1 ZINC000511559717 564375092 /nfs/dbraw/zinc/37/50/92/564375092.db2.gz CEGCKFXJZVYJAN-QGZVFWFLSA-N 1 0 398.322 2.850 20 0 GFADRO C[C@H]1C[NH+](CCCCNC(=O)Cc2ccc(Br)cc2O)C[C@H](C)O1 ZINC000477376524 564375268 /nfs/dbraw/zinc/37/52/68/564375268.db2.gz RHPXKBUKFGUDEL-KBPBESRZSA-N 1 0 399.329 2.703 20 0 GFADRO C[C@@H]1CCCC[C@H]1NC(=O)C[NH2+][C@](C)(CO)c1ccc(Br)cc1 ZINC000511558076 564375522 /nfs/dbraw/zinc/37/55/22/564375522.db2.gz WDNGUNSIEPJXMA-MZMPZRCHSA-N 1 0 383.330 2.941 20 0 GFADRO C[C@@](CO)([NH2+]C[C@@H](O)COc1ccccc1)c1ccc(Br)cc1 ZINC000511558364 564375697 /nfs/dbraw/zinc/37/56/97/564375697.db2.gz WZKXUVCVIYRZIT-AEFFLSMTSA-N 1 0 380.282 2.686 20 0 GFADRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNS(=O)(=O)c1ccc(OCC(F)F)cc1 ZINC000544121089 564376289 /nfs/dbraw/zinc/37/62/89/564376289.db2.gz ZVORLROPRSETRQ-ZIAGYGMSSA-N 1 0 376.469 2.872 20 0 GFADRO C[C@H]1CCC[C@H](C)[NH+]1CCNS(=O)(=O)c1ccc(OCC(F)F)cc1 ZINC000544121087 564376298 /nfs/dbraw/zinc/37/62/98/564376298.db2.gz ZVORLROPRSETRQ-KBPBESRZSA-N 1 0 376.469 2.872 20 0 GFADRO COCC(=O)N1CCC([NH2+][C@H]2CCc3cccc(Br)c3C2)CC1 ZINC000567570424 564377596 /nfs/dbraw/zinc/37/75/96/564377596.db2.gz YKAIEVLDWLOQJH-HNNXBMFYSA-N 1 0 381.314 2.533 20 0 GFADRO CC(C)[NH+]1CCC(NC(=O)CN(C)Cc2ccccc2Br)CC1 ZINC000511676128 564380166 /nfs/dbraw/zinc/38/01/66/564380166.db2.gz RSMPOTSJSNXWOY-UHFFFAOYSA-N 1 0 382.346 2.870 20 0 GFADRO CC[NH+](CC)[C@H](CNC(=O)Cn1cc(Br)cn1)c1ccccc1 ZINC000511767787 564381173 /nfs/dbraw/zinc/38/11/73/564381173.db2.gz DQVDHSDBMTYQKJ-MRXNPFEDSA-N 1 0 379.302 2.845 20 0 GFADRO CCC(C)(C)[NH2+][C@H](C)C(=O)N1CCNC(=O)[C@@H]1c1ccccc1Br ZINC000477633846 564381859 /nfs/dbraw/zinc/38/18/59/564381859.db2.gz MJAAJDNMZLIFIN-DOMZBBRYSA-N 1 0 396.329 2.615 20 0 GFADRO CCOCC[C@H](O)C[NH2+][C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000567684537 564383137 /nfs/dbraw/zinc/38/31/37/564383137.db2.gz LHICHFBQGCVUIL-OLZOCXBDSA-N 1 0 381.826 2.710 20 0 GFADRO CN(C)[C@]1(C[NH2+]C[C@H](O)COc2cc(Cl)ccc2Cl)CCSC1 ZINC000567683881 564383245 /nfs/dbraw/zinc/38/32/45/564383245.db2.gz ZRFXFDZQQZQNBL-BBRMVZONSA-N 1 0 379.353 2.760 20 0 GFADRO Cc1c(Br)cccc1CC(=O)NCC1(O)CC[NH+](C(C)C)CC1 ZINC000477680292 564383638 /nfs/dbraw/zinc/38/36/38/564383638.db2.gz OMUQCCWFESRDHD-UHFFFAOYSA-N 1 0 383.330 2.652 20 0 GFADRO CCC(=O)N1CSC[C@@H]1C(=O)Nc1nc2c(s1)C[N@@H+](C(C)(C)C)CC2 ZINC000567715907 564384483 /nfs/dbraw/zinc/38/44/83/564384483.db2.gz WBQIAGKIZJFCTA-GFCCVEGCSA-N 1 0 382.555 2.550 20 0 GFADRO Cc1ccccc1OC[C@@H](O)C[NH2+]Cc1ccc(S(C)(=O)=O)c(Cl)c1 ZINC000567726704 564385519 /nfs/dbraw/zinc/38/55/19/564385519.db2.gz SGAXXCZIPQWPCF-HNNXBMFYSA-N 1 0 383.897 2.581 20 0 GFADRO C[C@H](CCS(C)(=O)=O)[NH2+]Cc1cnn(-c2ccc(C(F)(F)F)cc2)c1 ZINC000511998234 564388676 /nfs/dbraw/zinc/38/86/76/564388676.db2.gz ZHLFEDBHYMGWKW-GFCCVEGCSA-N 1 0 375.416 2.804 20 0 GFADRO CCOCCOC[C@@H](O)C[NH2+][C@H]1CCc2c1cc(Br)cc2F ZINC000477937433 564390476 /nfs/dbraw/zinc/39/04/76/564390476.db2.gz ZTZBPOFPYCNQHN-LRDDRELGSA-N 1 0 376.266 2.579 20 0 GFADRO Cc1cc(Br)cc2c1CN(C(=O)COC1CCC([NH3+])CC1)CC2 ZINC000567815287 564391188 /nfs/dbraw/zinc/39/11/88/564391188.db2.gz KTBAWFCXMGFEET-UHFFFAOYSA-N 1 0 381.314 2.929 20 0 GFADRO COc1cccc(C(=O)NCC[NH2+]Cc2ccc(OC)cc2Br)c1 ZINC000512091313 564391394 /nfs/dbraw/zinc/39/13/94/564391394.db2.gz ZJEKVHCYJKVPQA-UHFFFAOYSA-N 1 0 393.281 2.986 20 0 GFADRO COc1ccc(Br)cc1S(=O)(=O)N(C)[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000452096575 564392079 /nfs/dbraw/zinc/39/20/79/564392079.db2.gz OIVVCKAFKQJFLP-CYBMUJFWSA-N 1 0 391.331 2.561 20 0 GFADRO CC(C)[N@@H+]1CC[C@@H](N(C)S(=O)(=O)Cc2cccc(Br)c2)C1 ZINC000452105916 564392369 /nfs/dbraw/zinc/39/23/69/564392369.db2.gz PGRHTOICUZCDIA-OAHLLOKOSA-N 1 0 375.332 2.693 20 0 GFADRO Cc1cc([C@H](C)[NH2+][C@H]2CCCN(S(C)(=O)=O)C2)sc1Br ZINC000512117493 564392905 /nfs/dbraw/zinc/39/29/05/564392905.db2.gz WLMVUSBUPJDLBB-QWRGUYRKSA-N 1 0 381.361 2.894 20 0 GFADRO O=C(N[C@H](c1cncc(Br)c1)C1CC1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000567871901 564393678 /nfs/dbraw/zinc/39/36/78/564393678.db2.gz YZFVUJFAVYHCQA-VBQJREDUSA-N 1 0 393.329 2.936 20 0 GFADRO C[C@@H]1CCCCC[N@@H+]1CC(=O)NCC(=O)Nc1ccccc1Br ZINC000512177781 564394573 /nfs/dbraw/zinc/39/45/73/564394573.db2.gz FHRKBIXUHSIIQA-CYBMUJFWSA-N 1 0 382.302 2.768 20 0 GFADRO C[NH2+][C@@H](CC(C)(C)C)C(=O)N[C@@H](C(=O)OC)c1ccc(Br)cc1 ZINC000567890391 564394630 /nfs/dbraw/zinc/39/46/30/564394630.db2.gz CGNHWFUGNLPYHH-UONOGXRCSA-N 1 0 385.302 2.804 20 0 GFADRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C[C@H](O)COc1ccc(Br)cc1 ZINC000512215449 564394708 /nfs/dbraw/zinc/39/47/08/564394708.db2.gz VSOQPFPSXAHYBZ-OIISXLGYSA-N 1 0 383.330 2.747 20 0 GFADRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)CNC(=O)c1sc2ccccc2c1Cl ZINC000567888929 564394816 /nfs/dbraw/zinc/39/48/16/564394816.db2.gz TVMKZTTXEXMSHZ-GFCCVEGCSA-N 1 0 379.913 2.837 20 0 GFADRO C[C@@H]1[C@H](NC(=O)c2c(Br)cnn2C)CC[N@@H+]1Cc1ccccc1 ZINC000452130914 564395054 /nfs/dbraw/zinc/39/50/54/564395054.db2.gz YUGMQZWWSYSSDQ-IUODEOHRSA-N 1 0 377.286 2.575 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1c(C)cc(Br)cc1C ZINC000512553308 564405141 /nfs/dbraw/zinc/40/51/41/564405141.db2.gz BLZCWMSHHAWTLM-AWEZNQCLSA-N 1 0 375.332 2.829 20 0 GFADRO [NH3+]CCc1ccccc1C(=O)NC[C@@H](O)COc1cccc(Cl)c1Cl ZINC000568147974 564406365 /nfs/dbraw/zinc/40/63/65/564406365.db2.gz DUGSLKOZGBKXAO-CYBMUJFWSA-N 1 0 383.275 2.664 20 0 GFADRO CC(C)[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)N1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000568210266 564409358 /nfs/dbraw/zinc/40/93/58/564409358.db2.gz TTXLVMSAZKWFOO-WOSRLPQWSA-N 1 0 383.945 2.851 20 0 GFADRO CC(C)(C(=O)N[C@H]1CCC[N@H+](CCCO)C1)c1cccc(Br)c1 ZINC000452386523 564411651 /nfs/dbraw/zinc/41/16/51/564411651.db2.gz XGZCVYRHNHXTRS-INIZCTEOSA-N 1 0 383.330 2.690 20 0 GFADRO O=C(NCc1cc(Br)cc2c1OCC2)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000545193924 564412268 /nfs/dbraw/zinc/41/22/68/564412268.db2.gz YTZQWISJTOIRLQ-GFCCVEGCSA-N 1 0 394.313 2.668 20 0 GFADRO C[C@@H]1CN(C(=O)Nc2ccc(I)cc2F)[C@@H](C)C[NH2+]1 ZINC000568296327 564412750 /nfs/dbraw/zinc/41/27/50/564412750.db2.gz GKTVHESTIZSQQJ-BDAKNGLRSA-N 1 0 377.201 2.644 20 0 GFADRO C[C@@H]1CC[C@H]([NH2+]CCCNS(=O)(=O)c2ccccc2Br)C1 ZINC000512880059 564415327 /nfs/dbraw/zinc/41/53/27/564415327.db2.gz OKGGQMBWWXQEPC-OLZOCXBDSA-N 1 0 375.332 2.896 20 0 GFADRO NC(=O)[C@H]([NH2+]CC[C@@H]1COc2ccccc2O1)c1cccc(Br)c1 ZINC000478881275 564417078 /nfs/dbraw/zinc/41/70/78/564417078.db2.gz CTEOTEYLMXCEGS-RHSMWYFYSA-N 1 0 391.265 2.795 20 0 GFADRO O=C1NCC[C@H]1CC[N@H+](CCc1ccc(Cl)cc1)C[C@@H](O)C(F)(F)F ZINC000568408258 564417381 /nfs/dbraw/zinc/41/73/81/564417381.db2.gz ISSWJVXSHXOCDS-DZGCQCFKSA-N 1 0 378.822 2.634 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)C(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000478968228 564420564 /nfs/dbraw/zinc/42/05/64/564420564.db2.gz XNEPWYNRPLJYBS-BXUZGUMPSA-N 1 0 394.313 2.691 20 0 GFADRO CC(C)CN(CC[NH+](C)C)C(=O)C(=O)NCCc1c(Cl)cccc1Cl ZINC000479078729 564423713 /nfs/dbraw/zinc/42/37/13/564423713.db2.gz NNAMHTYSKKGCKV-UHFFFAOYSA-N 1 0 388.339 2.698 20 0 GFADRO CC(C)[N@H+](C)CCNC(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000479061139 564423948 /nfs/dbraw/zinc/42/39/48/564423948.db2.gz CCGUEFSEEMGOIL-CXAGYDPISA-N 1 0 386.323 2.969 20 0 GFADRO Cc1nc(-c2ccc(I)cc2)nn1CC[C@H]1CC[NH2+]C1 ZINC000568617889 564426670 /nfs/dbraw/zinc/42/66/70/564426670.db2.gz DHFIIZOQDKVIID-GFCCVEGCSA-N 1 0 382.249 2.858 20 0 GFADRO CS(=O)(=O)[C@@H]1CCC[C@@H]([NH2+]C2CC(N3CCC(C(F)(F)F)CC3)C2)C1 ZINC000513347229 564427504 /nfs/dbraw/zinc/42/75/04/564427504.db2.gz GPLCBJNGFPGLHR-PRLABOORSA-N 1 0 382.492 2.737 20 0 GFADRO CC(C)[NH+]1CCN(C(=O)N[C@@H]2CCN(c3ccccc3Br)C2)CC1 ZINC000479154432 564428584 /nfs/dbraw/zinc/42/85/84/564428584.db2.gz ACFJZUGJRHZOCN-OAHLLOKOSA-N 1 0 395.345 2.763 20 0 GFADRO CC(C)[C@@H](CNC(=O)N[C@@H](C)c1ncc(Br)cn1)[NH+]1CCCC1 ZINC000568727265 564431481 /nfs/dbraw/zinc/43/14/81/564431481.db2.gz ZCTKSISAOPXLJN-GXTWGEPZSA-N 1 0 384.322 2.720 20 0 GFADRO CC[C@H](NC(=O)NC[C@H]1C[NH2+]CCCO1)c1cc(F)cc(Br)c1 ZINC000568731017 564432286 /nfs/dbraw/zinc/43/22/86/564432286.db2.gz GSSFDKWTDWRTOC-CABCVRRESA-N 1 0 388.281 2.717 20 0 GFADRO [NH3+]CC12CCC(CC1)CN2CC(=O)Nc1c(F)cc(F)cc1Br ZINC000568767943 564434235 /nfs/dbraw/zinc/43/42/35/564434235.db2.gz BAKFEZCWYHKRFK-UHFFFAOYSA-N 1 0 388.256 2.869 20 0 GFADRO CCC[N@H+](CC)CCNC(=O)N(CCO)Cc1ccc(Br)s1 ZINC000479332730 564436460 /nfs/dbraw/zinc/43/64/60/564436460.db2.gz GDUVASAGCNCDNG-UHFFFAOYSA-N 1 0 392.363 2.746 20 0 GFADRO Brc1cncc(C[NH2+]CCN2CCN(c3ccccc3)CC2)c1 ZINC000545928108 564438618 /nfs/dbraw/zinc/43/86/18/564438618.db2.gz BMVUIPYINRIGDN-UHFFFAOYSA-N 1 0 375.314 2.756 20 0 GFADRO C[C@H]1CCc2ccc(Br)cc2[C@@H]([NH2+]CC(=O)N2CCOCC2)C1 ZINC000479410020 564438794 /nfs/dbraw/zinc/43/87/94/564438794.db2.gz GEPUMXTUAYBCNK-GUYCJALGSA-N 1 0 381.314 2.911 20 0 GFADRO CC1=CCN(CC[NH2+][C@@H](C)c2cc(S(N)(=O)=O)c(Cl)cc2Cl)CC1 ZINC000479437517 564439972 /nfs/dbraw/zinc/43/99/72/564439972.db2.gz MGPSOOIYDZHMQN-LBPRGKRZSA-N 1 0 392.352 2.943 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(Br)cc3Br)C[C@@H]21 ZINC000452982289 564440677 /nfs/dbraw/zinc/44/06/77/564440677.db2.gz XZPSRHYINPZEOR-RNCFNFMXSA-N 1 0 388.103 2.988 20 0 GFADRO CC(C)(CN[C@@H](C(N)=O)c1ccc(Br)cc1F)C[NH+]1CCCC1 ZINC000479511970 564442549 /nfs/dbraw/zinc/44/25/49/564442549.db2.gz HNBFUXCDNRKTJE-OAHLLOKOSA-N 1 0 386.309 2.826 20 0 GFADRO C[NH2+]C[C@H]1CCN(C(=O)c2cn(-c3ccc(Br)cc3)nc2C)C1 ZINC000568982519 564443268 /nfs/dbraw/zinc/44/32/68/564443268.db2.gz FCZIQGHFTBYSND-CYBMUJFWSA-N 1 0 377.286 2.625 20 0 GFADRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CC(=O)Nc3ccc(Br)cc32)C1 ZINC000568982585 564443495 /nfs/dbraw/zinc/44/34/95/564443495.db2.gz AVVMMZDNNWTLNK-WFASDCNBSA-N 1 0 394.313 2.721 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCN(c4cc(Cl)ccc4Cl)C3=O)C[C@@H]21 ZINC000453034332 564443798 /nfs/dbraw/zinc/44/37/98/564443798.db2.gz KUTTYXFPMFYKLO-FFSVYQOJSA-N 1 0 382.291 2.509 20 0 GFADRO Cc1ccc(C[NH2+]CCN2C(=O)NC3(CCCC3)C2=O)c(Br)c1 ZINC000479621916 564445265 /nfs/dbraw/zinc/44/52/65/564445265.db2.gz XWLBCRPPRUDQIG-UHFFFAOYSA-N 1 0 380.286 2.712 20 0 GFADRO CC[NH+]1CCC(CNC(=O)N2CCC(n3cc(Br)cn3)CC2)CC1 ZINC000569016560 564445401 /nfs/dbraw/zinc/44/54/01/564445401.db2.gz URXFISABIYKJEJ-UHFFFAOYSA-N 1 0 398.349 2.724 20 0 GFADRO COC1([C@@H](C)[NH2+]CCCNC(=O)c2ccc(Br)cc2)CCOCC1 ZINC000453083824 564445368 /nfs/dbraw/zinc/44/53/68/564445368.db2.gz FGXAFWIJZNHLJB-CQSZACIVSA-N 1 0 399.329 2.743 20 0 GFADRO CC(C)(Cc1ccc(Br)cc1)[NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000514074278 564445619 /nfs/dbraw/zinc/44/56/19/564445619.db2.gz LHDSZSMXKZTZGF-AWEZNQCLSA-N 1 0 389.359 2.641 20 0 GFADRO CS(=O)(=O)N1CC[C@H](C[NH2+]C2(c3ccc(Br)cc3)CCC2)C1 ZINC000514090528 564445626 /nfs/dbraw/zinc/44/56/26/564445626.db2.gz QYCSBBAVMDKEIT-CYBMUJFWSA-N 1 0 387.343 2.699 20 0 GFADRO CO[C@H]1C[C@@H]([NH2+]CCS(=O)(=O)c2ccc(Br)cc2)C12CCC2 ZINC000453113244 564446533 /nfs/dbraw/zinc/44/65/33/564446533.db2.gz RASXHIWLYBHBDH-CABCVRRESA-N 1 0 388.327 2.770 20 0 GFADRO CSc1ccc(S(=O)(=O)N(C)CCC[N@H+](C)CCN(C)C)cc1Cl ZINC000569045860 564446555 /nfs/dbraw/zinc/44/65/55/564446555.db2.gz ROKCUYXQEORQLM-UHFFFAOYSA-N 1 0 394.006 2.566 20 0 GFADRO CC(C)NS(=O)(=O)CC[NH2+][C@H](Cc1ccccc1Br)C1CC1 ZINC000453146413 564447474 /nfs/dbraw/zinc/44/74/74/564447474.db2.gz YAWIOAKYDNDNBX-MRXNPFEDSA-N 1 0 389.359 2.688 20 0 GFADRO CN1CCN(C(=O)CC[NH2+][C@H](c2cc(F)cc(Br)c2)C2CC2)CC1 ZINC000514213941 564448309 /nfs/dbraw/zinc/44/83/09/564448309.db2.gz JKVNWPBLCVXYJS-SFHVURJKSA-N 1 0 398.320 2.793 20 0 GFADRO C[C@@H]([NH2+][C@H](CO)C1CCOCC1)c1ccc(F)c(I)c1 ZINC000453198007 564449418 /nfs/dbraw/zinc/44/94/18/564449418.db2.gz UNFUESUTUQDHPY-MEBBXXQBSA-N 1 0 393.240 2.868 20 0 GFADRO C[C@@H]([NH2+]CCn1cc(Br)ccc1=O)c1ccc([S@@](C)=O)cc1 ZINC000453252882 564450706 /nfs/dbraw/zinc/45/07/06/564450706.db2.gz OOHJWVGKUJJEOG-VERVWZFWSA-N 1 0 383.311 2.699 20 0 GFADRO C[C@]1(CNC(=O)N[C@@H](c2cncc(Br)c2)C2CC2)CCC[NH2+]C1 ZINC000514590748 564450760 /nfs/dbraw/zinc/45/07/60/564450760.db2.gz DEDFAMDNIFLSHZ-WBVHZDCISA-N 1 0 381.318 2.984 20 0 GFADRO C[C@]1(CNC(=O)N[C@H](c2cncc(Br)c2)C2CC2)CCC[NH2+]C1 ZINC000514590747 564450906 /nfs/dbraw/zinc/45/09/06/564450906.db2.gz DEDFAMDNIFLSHZ-RDJZCZTQSA-N 1 0 381.318 2.984 20 0 GFADRO C[C@H]([NH2+]CCn1cc(Br)ccc1=O)c1nc2ccccc2n1C ZINC000453251629 564451264 /nfs/dbraw/zinc/45/12/64/564451264.db2.gz NMWZPSWPLUYARP-LBPRGKRZSA-N 1 0 375.270 2.848 20 0 GFADRO COCCN(C)S(=O)(=O)[C@H]1CCC[N@H+](C[C@@H](C)c2cccc(Cl)c2)C1 ZINC000569157313 564451634 /nfs/dbraw/zinc/45/16/34/564451634.db2.gz JIZHWVIZKROELG-QAPCUYQASA-N 1 0 388.961 2.816 20 0 GFADRO CC[C@@H](CNS(C)(=O)=O)[NH2+][C@@H](Cc1ccccc1Br)C1CC1 ZINC000453279742 564452162 /nfs/dbraw/zinc/45/21/62/564452162.db2.gz JGPFESZZQYRBQJ-HOCLYGCPSA-N 1 0 389.359 2.688 20 0 GFADRO C[C@@H](CCCO)C[NH2+][C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000453272158 564452282 /nfs/dbraw/zinc/45/22/82/564452282.db2.gz HRTDAJDHRQTVBK-SMDDNHRTSA-N 1 0 376.316 2.666 20 0 GFADRO O=C(NC1CC1)N[C@H]1CC[N@@H+](CC2=Cc3cc(Br)ccc3OC2)C1 ZINC000546268224 564452619 /nfs/dbraw/zinc/45/26/19/564452619.db2.gz PAYNEJAPTHNTFH-INIZCTEOSA-N 1 0 392.297 2.761 20 0 GFADRO O=S1(=O)CCC[C@H](C[NH2+]Cc2cccc(Br)c2OC(F)F)C1 ZINC000569208181 564453712 /nfs/dbraw/zinc/45/37/12/564453712.db2.gz XINQTIDZIRSDRD-SNVBAGLBSA-N 1 0 398.269 2.965 20 0 GFADRO O=C(CNC(=O)c1ccc(Cl)cc1Cl)NC1CC[NH+](C2CCC2)CC1 ZINC000514715156 564454144 /nfs/dbraw/zinc/45/41/44/564454144.db2.gz XTXAJOXBZOWRBJ-UHFFFAOYSA-N 1 0 384.307 2.856 20 0 GFADRO Cc1cc(COc2ccc(C(=O)N(C)C3CC([NH3+])C3)cc2Br)on1 ZINC000569241114 564455489 /nfs/dbraw/zinc/45/54/89/564455489.db2.gz LTXFLEJOGHSCRW-UHFFFAOYSA-N 1 0 394.269 2.886 20 0 GFADRO COc1ccc(C[C@@H](CO)C[NH2+][C@H](C)Cc2cnccn2)cc1Br ZINC000453389753 564455913 /nfs/dbraw/zinc/45/59/13/564455913.db2.gz XODLWSWVCIGDMT-UKRRQHHQSA-N 1 0 394.313 2.620 20 0 GFADRO C[C@H]([NH2+]CCN1CCC(O)CC1)c1ccc(F)c(I)c1 ZINC000453387665 564455997 /nfs/dbraw/zinc/45/59/97/564455997.db2.gz WQVKTUJKYNJPIX-NSHDSACASA-N 1 0 392.256 2.538 20 0 GFADRO Cn1cc(I)c(C[NH2+][C@H]2CCC[C@H](c3ccnn3C)C2)n1 ZINC000453388011 564456041 /nfs/dbraw/zinc/45/60/41/564456041.db2.gz WKVACCUUIZKTEH-RYUDHWBXSA-N 1 0 399.280 2.574 20 0 GFADRO Cc1cc(Br)c(C[NH2+][C@H]2CCCC[C@H]2NS(C)(=O)=O)s1 ZINC000453571439 564457861 /nfs/dbraw/zinc/45/78/61/564457861.db2.gz MHDADKIYZYDNIN-NWDGAFQWSA-N 1 0 381.361 2.769 20 0 GFADRO Cc1cc(Br)c(C[NH2+]CCS(=O)(=O)NCC2CCC2)s1 ZINC000453588642 564458971 /nfs/dbraw/zinc/45/89/71/564458971.db2.gz LYNYKYUMOAELRL-UHFFFAOYSA-N 1 0 381.361 2.628 20 0 GFADRO COc1ccc(Br)c(CNC(=O)NCC[N@H+]2CC=C(C)CC2)c1 ZINC000546566916 564459130 /nfs/dbraw/zinc/45/91/30/564459130.db2.gz RXDRPSXVSZJTMP-UHFFFAOYSA-N 1 0 382.302 2.909 20 0 GFADRO CC(C)(C)[NH2+]CCNC(=O)c1ccc2cc(I)ccc2n1 ZINC000480084484 564459559 /nfs/dbraw/zinc/45/95/59/564459559.db2.gz RZFKLVUISIHQAK-UHFFFAOYSA-N 1 0 397.260 2.957 20 0 GFADRO Cc1cc(Br)cn2cc(CC[NH2+]C[C@@H](O)COCC(C)C)nc12 ZINC000514856860 564459900 /nfs/dbraw/zinc/45/99/00/564459900.db2.gz GXTHOJOIFNESDQ-MRXNPFEDSA-N 1 0 384.318 2.571 20 0 GFADRO O=C(COc1ccc(Br)cc1F)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000569359777 564460114 /nfs/dbraw/zinc/46/01/14/564460114.db2.gz OUXPJJGALUIZFS-OLZOCXBDSA-N 1 0 385.277 2.815 20 0 GFADRO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(c2cc(Br)ccn2)CC1 ZINC000480104313 564460579 /nfs/dbraw/zinc/46/05/79/564460579.db2.gz HNDNMECVVMKXHZ-UHFFFAOYSA-N 1 0 397.361 2.765 20 0 GFADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)c1cc2c(cc(Cl)cc2Cl)[nH]1 ZINC000480162936 564461010 /nfs/dbraw/zinc/46/10/10/564461010.db2.gz CZNQDVZLAVHROP-HNNXBMFYSA-N 1 0 383.279 2.544 20 0 GFADRO Cc1cc(Cl)cc(NC(=O)C(=O)NC[C@@H]2CCC[N@H+]2C)c1Br ZINC000453652196 564461784 /nfs/dbraw/zinc/46/17/84/564461784.db2.gz ZEFYVBGSPXCYCJ-NSHDSACASA-N 1 0 388.693 2.560 20 0 GFADRO C[C@@H]1C[C@@H]([NH2+][C@H]2CCS(=O)(=O)c3ccc(Br)cc32)CCN1C ZINC000480178369 564462460 /nfs/dbraw/zinc/46/24/60/564462460.db2.gz IBRXOCAGOKLWCI-ZLDLUXBVSA-N 1 0 387.343 2.740 20 0 GFADRO C[C@H]1C[C@@H](NC(=O)C(=O)Nc2cc(Cl)cc(Br)c2)CC[N@@H+]1C ZINC000453663104 564462943 /nfs/dbraw/zinc/46/29/43/564462943.db2.gz TWGASQABQINONX-CABZTGNLSA-N 1 0 388.693 2.640 20 0 GFADRO C[C@@H](Cn1cccn1)[NH2+][C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000480193801 564463340 /nfs/dbraw/zinc/46/33/40/564463340.db2.gz FIWACYIGMLLEDN-SMDDNHRTSA-N 1 0 384.299 2.542 20 0 GFADRO CC(C)[N@H+](C)CCCN[C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000480232698 564464656 /nfs/dbraw/zinc/46/46/56/564464656.db2.gz PBUCWLDJNJDBNC-OAHLLOKOSA-N 1 0 389.359 2.988 20 0 GFADRO C[C@@H](CC[NH+]1CCN(C)CC1)Nc1ncnc2cc(F)c(Br)cc21 ZINC000546732174 564465706 /nfs/dbraw/zinc/46/57/06/564465706.db2.gz QDSZKSDUMHXLED-LBPRGKRZSA-N 1 0 396.308 2.969 20 0 GFADRO C[NH+](C)[C@]1(CNC(=O)COc2ccc(Cl)c3cccnc23)CCSC1 ZINC000480252836 564465712 /nfs/dbraw/zinc/46/57/12/564465712.db2.gz FRSLUGDJTJXEIU-SFHVURJKSA-N 1 0 379.913 2.821 20 0 GFADRO CC1CC[NH+](CCCCNC(=O)C(=O)N(C)Cc2ccc(Cl)s2)CC1 ZINC000569480509 564465881 /nfs/dbraw/zinc/46/58/81/564465881.db2.gz VMFUPVRTMJJGCM-UHFFFAOYSA-N 1 0 385.961 2.988 20 0 GFADRO C[C@H](CCC[NH3+])NC(=O)CCCOc1ccc(I)cc1 ZINC000569574669 564469596 /nfs/dbraw/zinc/46/95/96/564469596.db2.gz NFPUIAHHEYISSK-GFCCVEGCSA-N 1 0 390.265 2.694 20 0 GFADRO COC[C@H](C)OC[C@H](O)C[NH2+]CCc1cc(Cl)ccc1Br ZINC000569569090 564469937 /nfs/dbraw/zinc/46/99/37/564469937.db2.gz VJPMHMGOEMFFNV-SMDDNHRTSA-N 1 0 380.710 2.647 20 0 GFADRO COc1ccc(-c2nc(C(=O)NC[C@]3([NH+](C)C)CCSC3)cs2)cc1 ZINC000480386581 564470134 /nfs/dbraw/zinc/47/01/34/564470134.db2.gz CEDXIAIBNRXTBF-GOSISDBHSA-N 1 0 377.535 2.986 20 0 GFADRO Cn1ncc2c1CCC[C@H]2[NH2+]C[C@H](O)COc1ccc(Br)cc1 ZINC000515166077 564470199 /nfs/dbraw/zinc/47/01/99/564470199.db2.gz XYKDBUHIGBHSIT-XJKSGUPXSA-N 1 0 380.286 2.590 20 0 GFADRO COCC[NH2+]C1CCN(S(=O)(=O)Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000569583563 564470244 /nfs/dbraw/zinc/47/02/44/564470244.db2.gz SXEVSAPXDJMVFO-UHFFFAOYSA-N 1 0 381.325 2.524 20 0 GFADRO C[C@H]([NH3+])[C@H](C)NS(=O)(=O)c1ccc(Br)c(Cl)c1Cl ZINC000515176579 564471506 /nfs/dbraw/zinc/47/15/06/564471506.db2.gz WHRWERSMLCRWIA-WDSKDSINSA-N 1 0 376.103 2.770 20 0 GFADRO CN(C)CC[N@H+](C)CCCNC(=O)[C@@H]1C[C@@H]1c1cccc(Br)c1 ZINC000515169781 564471515 /nfs/dbraw/zinc/47/15/15/564471515.db2.gz YGXXLNWLBAIXBJ-IAGOWNOFSA-N 1 0 382.346 2.552 20 0 GFADRO C[C@H]1CN(C(=O)c2nn(-c3cccc(Br)c3)c3c2CCC3)C[C@H]1[NH3+] ZINC000515233486 564473094 /nfs/dbraw/zinc/47/30/94/564473094.db2.gz MBNITDBVFCVHAY-XHDPSFHLSA-N 1 0 389.297 2.543 20 0 GFADRO [NH3+][C@@H]1CCCO[C@H]1C1CCN(C(=O)COc2ccccc2Br)CC1 ZINC000569712815 564474874 /nfs/dbraw/zinc/47/48/74/564474874.db2.gz NXFZUEQHEQYALL-QAPCUYQASA-N 1 0 397.313 2.573 20 0 GFADRO OC[C@H](C[NH2+]C[C@@H](O)COc1ccccc1)Cc1ccccc1Br ZINC000515383589 564477845 /nfs/dbraw/zinc/47/78/45/564477845.db2.gz NXNUIZRRDYYPTD-DOTOQJQBSA-N 1 0 394.309 2.630 20 0 GFADRO O=C(NC[C@H]1C[NH2+]CCCO1)Nc1cc(Cl)ccc1OCC(F)(F)F ZINC000515404904 564478217 /nfs/dbraw/zinc/47/82/17/564478217.db2.gz HQKMTRWFRCPCEM-LLVKDONJSA-N 1 0 381.782 2.781 20 0 GFADRO CNC(=O)C[C@@H](C)[NH2+]Cc1cc(Cl)c(I)cc1OC ZINC000482009517 564531470 /nfs/dbraw/zinc/53/14/70/564531470.db2.gz URZWVJMQKHGGJP-MRVPVSSYSA-N 1 0 396.656 2.567 20 0 GFADRO NC(=O)c1c[nH+]ccc1NCCSCCOc1cccc(Br)c1 ZINC000547280035 564482728 /nfs/dbraw/zinc/48/27/28/564482728.db2.gz IHKBKLFIPRMFJB-UHFFFAOYSA-N 1 0 396.310 2.589 20 0 GFADRO C[N@@H+]1CC[C@@](O)(CNC(=O)N[C@H](c2ccsc2)c2ccc(Cl)cc2)C1 ZINC000547298311 564483532 /nfs/dbraw/zinc/48/35/32/564483532.db2.gz MJGDLJOOURCKBD-FUHWJXTLSA-N 1 0 379.913 2.857 20 0 GFADRO C[NH+](C)CCN(Cc1ccsc1)S(=O)(=O)c1cccc2nsnc21 ZINC000515618861 564483806 /nfs/dbraw/zinc/48/38/06/564483806.db2.gz JEANKXPFAHNMAN-UHFFFAOYSA-N 1 0 382.536 2.505 20 0 GFADRO O=S(=O)(NCC[NH2+][C@@H]1CCC[C@@H]([C@@H]2CCOC2)C1)c1cccc(Cl)c1 ZINC000547333670 564485356 /nfs/dbraw/zinc/48/53/56/564485356.db2.gz CLMMNALITPVVAI-BFYDXBDKSA-N 1 0 386.945 2.803 20 0 GFADRO O=S(=O)(NCC1=CC[NH2+]CC1)c1ccc2ccccc2c1Br ZINC000569971893 564485906 /nfs/dbraw/zinc/48/59/06/564485906.db2.gz OJDZOWOHSSACFL-UHFFFAOYSA-N 1 0 381.295 2.800 20 0 GFADRO COC(=O)CC[C@H]([NH3+])C(=O)Nc1nc(-c2ccc(Br)cc2)cs1 ZINC000569967020 564486102 /nfs/dbraw/zinc/48/61/02/564486102.db2.gz BLAFSAIALKBAJT-NSHDSACASA-N 1 0 398.282 2.792 20 0 GFADRO O=S(=O)(NCC[NH2+][C@@H]1CCC[C@@H]([C@@H]2CCOC2)C1)c1ccc(Cl)s1 ZINC000547361453 564486258 /nfs/dbraw/zinc/48/62/58/564486258.db2.gz YTFFSFZGZKYQGN-MGPQQGTHSA-N 1 0 392.974 2.865 20 0 GFADRO COc1cc(C)c(Br)cc1S(=O)(=O)N[C@H](C)C[N@H+](C)C(C)C ZINC000516119298 564494205 /nfs/dbraw/zinc/49/42/05/564494205.db2.gz HQRFGBPHHYJHCQ-GFCCVEGCSA-N 1 0 393.347 2.773 20 0 GFADRO O=C(CCC[S@@](=O)c1ccc(Br)cc1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000516191749 564495786 /nfs/dbraw/zinc/49/57/86/564495786.db2.gz VFEISKJOPPQPHH-IQMFZBJNSA-N 1 0 399.354 2.690 20 0 GFADRO COC(=O)c1cc(NC(=O)N2CCC[C@@H](C[NH3+])C2)c(C)cc1Br ZINC000516259286 564498013 /nfs/dbraw/zinc/49/80/13/564498013.db2.gz BLUWQXUMDSGDEL-NSHDSACASA-N 1 0 384.274 2.747 20 0 GFADRO CC[NH+](CC)CCN(C(=O)c1ccncn1)c1ccc(Br)cn1 ZINC000516297854 564498897 /nfs/dbraw/zinc/49/88/97/564498897.db2.gz QSVJYBKAURNZMA-UHFFFAOYSA-N 1 0 378.274 2.623 20 0 GFADRO C[C@H](CNC(=O)c1cnn(-c2ccc(Br)cc2)c1)[NH+]1CCCC1 ZINC000516389978 564501310 /nfs/dbraw/zinc/50/13/10/564501310.db2.gz XIMAZHYHPBGPOH-CYBMUJFWSA-N 1 0 377.286 2.849 20 0 GFADRO C[C@H]1C[N@H+](CC(=O)NCC(=O)Nc2ccccc2Br)CC(C)(C)C1 ZINC000570339870 564501812 /nfs/dbraw/zinc/50/18/12/564501812.db2.gz WEKGHKBVOWXENJ-CYBMUJFWSA-N 1 0 396.329 2.872 20 0 GFADRO COC[C@H](C)OC[C@H](O)C[NH2+][C@H](C)Cc1ccc(F)c(Br)c1 ZINC000570391344 564503542 /nfs/dbraw/zinc/50/35/42/564503542.db2.gz XYHHWZSUJSAWHU-MBNYWOFBSA-N 1 0 378.282 2.521 20 0 GFADRO O=C1C[C@@]2(CN1)CCC[N@@H+]([C@@H]1CCN(c3ccc(Cl)c(Cl)c3)C1=O)C2 ZINC000481108714 564504110 /nfs/dbraw/zinc/50/41/10/564504110.db2.gz NVRQFRTYXGBDSW-CRAIPNDOSA-N 1 0 382.291 2.701 20 0 GFADRO C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+]1CCC[C@@H](CO)CC1 ZINC000570424503 564505460 /nfs/dbraw/zinc/50/54/60/564505460.db2.gz YDVVBFQGVOQBJH-GDBMZVCRSA-N 1 0 383.330 2.890 20 0 GFADRO C[NH+](C)[C@@]1(CNC(=O)NCc2ccccc2OC(F)(F)F)CCSC1 ZINC000481251603 564507547 /nfs/dbraw/zinc/50/75/47/564507547.db2.gz BUCCHWKJAXDCGP-OAHLLOKOSA-N 1 0 377.432 2.822 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CC[NH2+]C[C@@H](O)COCC(C)C ZINC000570509208 564508771 /nfs/dbraw/zinc/50/87/71/564508771.db2.gz UEDKKZHFUOUDBX-OAHLLOKOSA-N 1 0 387.318 2.709 20 0 GFADRO CCOCCCNC(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000516659370 564508858 /nfs/dbraw/zinc/50/88/58/564508858.db2.gz GTPLTAHVHPVZGI-UHFFFAOYSA-N 1 0 386.334 2.949 20 0 GFADRO O=S(=O)(c1ccc(Cl)c(Br)c1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000570515850 564510128 /nfs/dbraw/zinc/51/01/28/564510128.db2.gz WDCCJJZSJOSAKX-CQSZACIVSA-N 1 0 393.734 2.867 20 0 GFADRO C[C@@H](CNC(=O)NCc1cc(Br)ccc1OC(F)F)[NH+](C)C ZINC000454416618 564510232 /nfs/dbraw/zinc/51/02/32/564510232.db2.gz BSGQPYNRZYNSRE-VIFPVBQESA-N 1 0 380.233 2.800 20 0 GFADRO O=S(=O)(C[C@H](O)C[NH2+]Cc1cscc1C(F)(F)F)c1cccs1 ZINC000516755480 564510454 /nfs/dbraw/zinc/51/04/54/564510454.db2.gz LWBTVJQSDYXPJO-SNVBAGLBSA-N 1 0 385.454 2.753 20 0 GFADRO COCC[N@H+](C)CCNC(=O)N[C@H](C)c1ccc(F)c(Br)c1 ZINC000454448501 564511132 /nfs/dbraw/zinc/51/11/32/564511132.db2.gz WWDPKOHUVXOIRW-LLVKDONJSA-N 1 0 376.270 2.527 20 0 GFADRO Cc1csc(Sc2ccc(NC(=O)N3CCN(C)C[C@H]3C[NH3+])cc2)n1 ZINC000570542768 564511487 /nfs/dbraw/zinc/51/14/87/564511487.db2.gz ZECUSLUEQDIHTJ-CQSZACIVSA-N 1 0 377.539 2.709 20 0 GFADRO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)NCc1nn(C)cc1Br ZINC000454475448 564511544 /nfs/dbraw/zinc/51/15/44/564511544.db2.gz GYBBQYDXZJQDMM-ZDUSSCGKSA-N 1 0 386.338 2.636 20 0 GFADRO CCc1ccc(-c2csc(NC(=O)C(=O)NCC[NH2+]C(C)(C)C)n2)s1 ZINC000570584330 564512538 /nfs/dbraw/zinc/51/25/38/564512538.db2.gz IGTVGLYDUUZOKM-UHFFFAOYSA-N 1 0 380.539 2.877 20 0 GFADRO CC[C@@H]([NH2+][C@@H]1CCN(S(C)(=O)=O)C1)c1cc(F)cc(Br)c1 ZINC000570575583 564513033 /nfs/dbraw/zinc/51/30/33/564513033.db2.gz WDHVMXPJENAQIO-ZIAGYGMSSA-N 1 0 379.295 2.663 20 0 GFADRO COCC[N@@H+]1CC[C@@H](NC(=O)N[C@H](C)c2ccc(F)c(Br)c2)C1 ZINC000454533411 564513509 /nfs/dbraw/zinc/51/35/09/564513509.db2.gz CYHFULQSNRKCSN-DGCLKSJQSA-N 1 0 388.281 2.669 20 0 GFADRO C[C@@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2C)CC[N@@H+](C2CCC2)C1 ZINC000516849187 564513809 /nfs/dbraw/zinc/51/38/09/564513809.db2.gz BHRNTJKIJZKJAF-LBPRGKRZSA-N 1 0 393.333 2.883 20 0 GFADRO O=S(=O)(CC[NH2+]CCOc1cccc(Br)c1)c1ccccc1 ZINC000570625954 564514290 /nfs/dbraw/zinc/51/42/90/564514290.db2.gz RWHPBXHGRIBQBH-UHFFFAOYSA-N 1 0 384.295 2.891 20 0 GFADRO COc1cc2c(cc1Cl)CN(C(=O)NC[C@]1([NH+](C)C)CCSC1)CC2 ZINC000454614804 564516176 /nfs/dbraw/zinc/51/61/76/564516176.db2.gz UZRBMACWFDUULQ-GOSISDBHSA-N 1 0 383.945 2.854 20 0 GFADRO O=C(NCc1nc2c(cccc2Br)[nH]1)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000516911630 564516384 /nfs/dbraw/zinc/51/63/84/564516384.db2.gz UJZGTZNDDOUAHL-OCCSQVGLSA-N 1 0 392.301 2.751 20 0 GFADRO CC(C)(CNC(=O)c1ccc(Cl)c(NS(C)(=O)=O)c1)C[NH+]1CCCC1 ZINC000481630428 564518520 /nfs/dbraw/zinc/51/85/20/564518520.db2.gz WKDRUDSLMQOZKE-UHFFFAOYSA-N 1 0 387.933 2.563 20 0 GFADRO CC[C@H]([NH2+]CCC(=O)NC(C)(C)C)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000481673858 564519049 /nfs/dbraw/zinc/51/90/49/564519049.db2.gz DLGUFJRTPXSPIT-AWEZNQCLSA-N 1 0 389.949 2.594 20 0 GFADRO Cc1nc(CNC(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)sc1Br ZINC000454709073 564520107 /nfs/dbraw/zinc/52/01/07/564520107.db2.gz GTGQQQUQSLLDJS-MNOVXSKESA-N 1 0 375.336 2.886 20 0 GFADRO CCNC(=O)NC(=O)[C@H](C)[NH2+][C@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000481730552 564520470 /nfs/dbraw/zinc/52/04/70/564520470.db2.gz ANMQMLHKTCOHNK-XPTSAGLGSA-N 1 0 386.265 2.863 20 0 GFADRO CCOC(=O)C[C@H]1C[C@@H](OC)C[N@@H+]1CCOc1ccc(Br)cc1 ZINC000481728447 564520988 /nfs/dbraw/zinc/52/09/88/564520988.db2.gz XSQHGVBFPJGAHQ-GDBMZVCRSA-N 1 0 386.286 2.870 20 0 GFADRO COc1c(Br)cc(Cl)cc1NC(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000570782525 564521766 /nfs/dbraw/zinc/52/17/66/564521766.db2.gz ZIWRJTRQDKWYFG-JTQLQIEISA-N 1 0 392.681 2.693 20 0 GFADRO O=C(N[C@H]1CCc2c1cccc2Br)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000517023947 564521810 /nfs/dbraw/zinc/52/18/10/564521810.db2.gz DGJLBPGPQLNKMW-DYVFJYSZSA-N 1 0 389.297 2.987 20 0 GFADRO COc1cc(Br)ccc1[C@@H](C)NC(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000454830799 564523169 /nfs/dbraw/zinc/52/31/69/564523169.db2.gz FEBSNWFABWROAF-TYNCELHUSA-N 1 0 382.302 2.864 20 0 GFADRO C[C@H](CC[NH+](C)C)NC(=O)C(=O)N(Cc1ccc(Cl)c(Cl)c1)C1CC1 ZINC000517105974 564524000 /nfs/dbraw/zinc/52/40/00/564524000.db2.gz GEFYCYQJNMXUOG-GFCCVEGCSA-N 1 0 386.323 2.941 20 0 GFADRO CN(C(=O)Nc1cccc(Oc2ncc(Br)cn2)c1)[C@@H]1CC[NH2+]C1 ZINC000517093339 564524644 /nfs/dbraw/zinc/52/46/44/564524644.db2.gz VZMLKBBBXNVDTF-CYBMUJFWSA-N 1 0 392.257 2.857 20 0 GFADRO C[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000517229850 564528029 /nfs/dbraw/zinc/52/80/29/564528029.db2.gz LUHSDTFXNKHQCQ-FZMZJTMJSA-N 1 0 382.295 2.870 20 0 GFADRO O=C(Nc1nnc(C2CCOCC2)s1)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000570940750 564528820 /nfs/dbraw/zinc/52/88/20/564528820.db2.gz IBVFJESAHNYVPF-AWEZNQCLSA-N 1 0 382.555 2.588 20 0 GFADRO C[C@@H]1Cc2ccc(Br)cc2CN1C(=O)NCC[N@@H+]1CCCOCC1 ZINC000455006047 564531967 /nfs/dbraw/zinc/53/19/67/564531967.db2.gz VZZNBJWVQBUTRJ-CQSZACIVSA-N 1 0 396.329 2.628 20 0 GFADRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1ccc(I)cn1 ZINC000455007315 564531987 /nfs/dbraw/zinc/53/19/87/564531987.db2.gz YIXWCNSLUSWPIS-VXGBXAGGSA-N 1 0 387.265 2.536 20 0 GFADRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1ccc(I)cn1 ZINC000455007305 564532022 /nfs/dbraw/zinc/53/20/22/564532022.db2.gz YIXWCNSLUSWPIS-NEPJUHHUSA-N 1 0 387.265 2.536 20 0 GFADRO CCCOC[C@@H](Cc1cccc(Br)c1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000548142658 564533275 /nfs/dbraw/zinc/53/32/75/564533275.db2.gz CIGSVQCSZYZDIY-NVXWUHKLSA-N 1 0 383.330 2.855 20 0 GFADRO COc1cc(Br)c(CN2C[C@@H](C[NH3+])C3(C2)CCOCC3)cc1OC ZINC000571047533 564533317 /nfs/dbraw/zinc/53/33/17/564533317.db2.gz VXLXAYMDYFFALQ-CQSZACIVSA-N 1 0 399.329 2.654 20 0 GFADRO CCC[N@H+](CC)C[C@H](C)NS(=O)(=O)c1cc2c(cc1Cl)OCCO2 ZINC000517441973 564534581 /nfs/dbraw/zinc/53/45/81/564534581.db2.gz LMEXRTFXOAILNU-LBPRGKRZSA-N 1 0 376.906 2.510 20 0 GFADRO CS(=O)(=O)N1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2c2ccc(C(F)(F)F)cc2)C1 ZINC000517574719 564536490 /nfs/dbraw/zinc/53/64/90/564536490.db2.gz FYMVEJWLNAYKQT-ARFHVFGLSA-N 1 0 376.444 2.965 20 0 GFADRO O=C(CCSc1ccccc1Br)NC[C@@]1(O)C[NH+]2CCC1CC2 ZINC000517613738 564537180 /nfs/dbraw/zinc/53/71/80/564537180.db2.gz SEFLWAOEDKZCKS-QGZVFWFLSA-N 1 0 399.354 2.504 20 0 GFADRO O=C(NC[C@H]1CCCC[N@H+]1CCO)Nc1c(F)cc(F)cc1Br ZINC000455224824 564543312 /nfs/dbraw/zinc/54/33/12/564543312.db2.gz QDULMZDNDCAMRZ-LLVKDONJSA-N 1 0 392.244 2.696 20 0 GFADRO CC(=O)NC1CCC([NH2+]C[C@@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000571277136 564543584 /nfs/dbraw/zinc/54/35/84/564543584.db2.gz MNCVNXLFMQXMCF-JXQTWKCFSA-N 1 0 375.296 2.770 20 0 GFADRO CO[C@H]1C[C@@H](CN(C)C(=O)NCCOc2ccc(Cl)c(Cl)c2)[N@H+](C)C1 ZINC000455232922 564544161 /nfs/dbraw/zinc/54/41/61/564544161.db2.gz ZRSRGZGOXFUROC-JSGCOSHPSA-N 1 0 390.311 2.733 20 0 GFADRO C[C@@H](NC(=O)C[NH2+][C@@H](CO)C1CCOCC1)c1ccc(Cl)c(Cl)c1 ZINC000571314937 564545375 /nfs/dbraw/zinc/54/53/75/564545375.db2.gz VCAWHIDUIHVLFE-BZNIZROVSA-N 1 0 375.296 2.548 20 0 GFADRO CC(C)[NH2+]CCCNS(=O)(=O)Cc1cc(Cl)ccc1Br ZINC000571402793 564550161 /nfs/dbraw/zinc/55/01/61/564550161.db2.gz FKWAEEOYPZGUJL-UHFFFAOYSA-N 1 0 383.739 2.910 20 0 GFADRO CC[N@@H+]1CC[C@H](NC(=O)NCCNc2ncc(C(F)(F)F)cc2Cl)C1 ZINC000518335989 564550464 /nfs/dbraw/zinc/55/04/64/564550464.db2.gz DNNHDXITMYIQLJ-NSHDSACASA-N 1 0 379.814 2.559 20 0 GFADRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)CCC[S@@](=O)c1ccc(Br)cc1 ZINC000571439283 564551834 /nfs/dbraw/zinc/55/18/34/564551834.db2.gz BFTSEGXBEUEJMV-GPAUDHNESA-N 1 0 387.343 2.533 20 0 GFADRO C[C@H]([NH3+])C[C@H](C)NC(=O)NCc1ccc(Cl)cc1I ZINC000571439530 564551845 /nfs/dbraw/zinc/55/18/45/564551845.db2.gz PXZIIXKBKZMSJK-IUCAKERBSA-N 1 0 395.672 2.870 20 0 GFADRO Cc1ccc(NC(=O)C[NH2+][C@@H](C2CC2)[C@]2(CO)CCCO2)c(Br)c1 ZINC000518405638 564553139 /nfs/dbraw/zinc/55/31/39/564553139.db2.gz JMPUMHWXGRHVJX-ZWKOTPCHSA-N 1 0 397.313 2.606 20 0 GFADRO CCCC[C@](C)([NH2+]CCNS(C)(=O)=O)c1cccc(Br)c1 ZINC000483069150 564557658 /nfs/dbraw/zinc/55/76/58/564557658.db2.gz LRAVEOSQMURJNH-HNNXBMFYSA-N 1 0 377.348 2.993 20 0 GFADRO NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000455549724 564557948 /nfs/dbraw/zinc/55/79/48/564557948.db2.gz GLFAJIRMNUMDOS-WOSRLPQWSA-N 1 0 384.307 2.553 20 0 GFADRO C[N@H+](CCCCNC(=O)NCC(=O)Nc1ccc(Br)cc1)C1CC1 ZINC000455620137 564560391 /nfs/dbraw/zinc/56/03/91/564560391.db2.gz SAUYFBWJYKWADS-UHFFFAOYSA-N 1 0 397.317 2.561 20 0 GFADRO O=C(NC[C@H](O)C[NH+]1CCCCC1)Nc1ccc(Br)c(C2CC2)n1 ZINC000455620132 564560426 /nfs/dbraw/zinc/56/04/26/564560426.db2.gz IOJBHHVHJRSHBD-ZDUSSCGKSA-N 1 0 397.317 2.690 20 0 GFADRO CC[NH+](CC)CCCCNC(=O)c1ccc(I)cn1 ZINC000455655838 564564067 /nfs/dbraw/zinc/56/40/67/564564067.db2.gz BJVZQNHIQVIPBF-UHFFFAOYSA-N 1 0 375.254 2.538 20 0 GFADRO Cc1sc(=O)n(CCC(=O)NC[C@H](c2ccc(Cl)cc2)[NH+](C)C)c1C ZINC000571732852 564564324 /nfs/dbraw/zinc/56/43/24/564564324.db2.gz NBGBRCVFJKLSRY-MRXNPFEDSA-N 1 0 381.929 2.989 20 0 GFADRO O=C(CC[NH2+]C[C@@H](N1CCOCC1)C(F)(F)F)Nc1ccc(Cl)cc1 ZINC000571790819 564567510 /nfs/dbraw/zinc/56/75/10/564567510.db2.gz CPDDJKFGXDGBGX-CQSZACIVSA-N 1 0 379.810 2.521 20 0 GFADRO O=c1cc(C[N@@H+]2CCC[C@@H](OCC3CC3)C2)nc2ccc(Br)cn12 ZINC000548626483 564568421 /nfs/dbraw/zinc/56/84/21/564568421.db2.gz NSCFRLNNGLJKOC-MRXNPFEDSA-N 1 0 392.297 2.848 20 0 GFADRO CC(C)[NH+](CCCNC(=O)Nc1nnc2ccc(Br)cn21)C(C)C ZINC000455751142 564568959 /nfs/dbraw/zinc/56/89/59/564568959.db2.gz HOAPAPQOYYHJGS-UHFFFAOYSA-N 1 0 397.321 3.122 20 0 GFADRO Cc1nc2cc(Cl)c(NC(=O)C(=O)NCCC[NH+]3CCCC3)cc2s1 ZINC000483578160 564569989 /nfs/dbraw/zinc/56/99/89/564569989.db2.gz DQGYFPUAAKBVNK-UHFFFAOYSA-N 1 0 380.901 2.799 20 0 GFADRO Cc1nc2cc(Cl)c(NC(=O)C(=O)NCC[NH+]3CCCCC3)cc2s1 ZINC000483571408 564570252 /nfs/dbraw/zinc/57/02/52/564570252.db2.gz FLQYQHQZYXPXPB-UHFFFAOYSA-N 1 0 380.901 2.799 20 0 GFADRO Cc1nc(-c2ccc(CCNC(=O)N3C[C@H]4C[NH2+]CC[C@@H]4C3)s2)cs1 ZINC000571893604 564571852 /nfs/dbraw/zinc/57/18/52/564571852.db2.gz RYGDAIAHZGYQJR-ZIAGYGMSSA-N 1 0 376.551 2.973 20 0 GFADRO CC[NH+](CC)CCN(C(=O)[C@@H]1C[C@]12CCOC2)c1ccc(Br)cn1 ZINC000571926804 564572851 /nfs/dbraw/zinc/57/28/51/564572851.db2.gz FQUZMWWJMMZTJW-YJBOKZPZSA-N 1 0 396.329 2.946 20 0 GFADRO CO[C@H]1CCCC[C@H]1[NH2+]CC(=O)N(C)CCOc1ccc(Br)cc1 ZINC000483692507 564573121 /nfs/dbraw/zinc/57/31/21/564573121.db2.gz MRXXEYTXLZROIV-SJORKVTESA-N 1 0 399.329 2.834 20 0 GFADRO CO[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000483693451 564573138 /nfs/dbraw/zinc/57/31/38/564573138.db2.gz ATDOVAGBLXQFMS-FVQBIDKESA-N 1 0 376.266 2.875 20 0 GFADRO CCN1CC[NH+](C[C@@H](C)CNc2noc3ccc(Br)cc32)CC1 ZINC000571935159 564573760 /nfs/dbraw/zinc/57/37/60/564573760.db2.gz JTNOVLZJNKJWEJ-ZDUSSCGKSA-N 1 0 381.318 3.276 20 0 GFADRO CC[C@H](C)[C@H](C[NH2+]C[C@H](O)COc1cc(F)cc(Br)c1)OC ZINC000519387523 564576131 /nfs/dbraw/zinc/57/61/31/564576131.db2.gz JYONYCVVCYTVTO-PJODQICGSA-N 1 0 378.282 2.979 20 0 GFADRO CCC[NH+]1CCC(NC(=O)NCC(=O)Nc2cccc(Br)c2)CC1 ZINC000483874529 564576606 /nfs/dbraw/zinc/57/66/06/564576606.db2.gz ANGHWYQQUADAQB-UHFFFAOYSA-N 1 0 397.317 2.561 20 0 GFADRO CS(=O)(=O)c1ccc(C[NH2+]C[C@@H](O)Cc2ccc(C(F)(F)F)cc2)s1 ZINC000519536287 564580096 /nfs/dbraw/zinc/58/00/96/564580096.db2.gz JLWXXXCECQKFLL-ZDUSSCGKSA-N 1 0 393.452 2.864 20 0 GFADRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1Cc1nc(Cc2cccc(Br)c2)no1 ZINC000519557190 564580933 /nfs/dbraw/zinc/58/09/33/564580933.db2.gz JOLSAVKWPVHOLM-CHWSQXEVSA-N 1 0 379.302 2.947 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C(=O)NCC[N@@H+](C)C1CC1 ZINC000484132516 564582603 /nfs/dbraw/zinc/58/26/03/564582603.db2.gz GUUCTMJMQVRXFG-UHFFFAOYSA-N 1 0 377.286 2.767 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C(=O)N1CCC[C@H](C[NH3+])C1 ZINC000519650170 564585468 /nfs/dbraw/zinc/58/54/68/564585468.db2.gz YOZUYMHMPZNMLV-CYBMUJFWSA-N 1 0 377.286 2.754 20 0 GFADRO OC[C@@H](C[NH2+]C[C@H](O)COc1cccc(Br)c1)c1ccccc1 ZINC000572243157 564585985 /nfs/dbraw/zinc/58/59/85/564585985.db2.gz OHKBWQACKLKSBA-WBVHZDCISA-N 1 0 380.282 2.555 20 0 GFADRO CC(C)[NH2+]CCCNC(=O)C(=O)N1CCC[C@H]1c1cccc(Br)c1 ZINC000519690255 564586795 /nfs/dbraw/zinc/58/67/95/564586795.db2.gz GNSXUCIQCZMXJU-INIZCTEOSA-N 1 0 396.329 2.617 20 0 GFADRO CC(C)[NH2+]CCCNC(=O)C(=O)N1CCC[C@@H]1c1cccc(Br)c1 ZINC000519690256 564587221 /nfs/dbraw/zinc/58/72/21/564587221.db2.gz GNSXUCIQCZMXJU-MRXNPFEDSA-N 1 0 396.329 2.617 20 0 GFADRO C[C@@H](CNC(=O)COC1CCC([NH3+])CC1)Oc1ccccc1Br ZINC000519776391 564590191 /nfs/dbraw/zinc/59/01/91/564590191.db2.gz SLPSIRFSQKCRSR-HSBZDZAISA-N 1 0 385.302 2.619 20 0 GFADRO CCO[C@@H]1COCC[C@@H]1[NH2+][C@@H](C)C(=O)N(C)Cc1ccc(Br)cc1 ZINC000484636705 564593796 /nfs/dbraw/zinc/59/37/96/564593796.db2.gz CFOHSGJAIZBGER-RRQGHBQHSA-N 1 0 399.329 2.580 20 0 GFADRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000520008046 564596115 /nfs/dbraw/zinc/59/61/15/564596115.db2.gz RASRJYMHLNHKMI-SNVBAGLBSA-N 1 0 377.819 2.726 20 0 GFADRO COc1c(Br)cc(Cl)cc1NC(=O)C[NH2+]C[C@H]1CCCO1 ZINC000572511223 564598243 /nfs/dbraw/zinc/59/82/43/564598243.db2.gz BKDHNRDRTUXCGM-SNVBAGLBSA-N 1 0 377.666 2.818 20 0 GFADRO CC[C@H]([NH2+][C@H]1CCc2cccc(Br)c2C1)C(=O)N1CCOCC1 ZINC000549779257 564605122 /nfs/dbraw/zinc/60/51/22/564605122.db2.gz ORPMSTKYZXXZAB-YOEHRIQHSA-N 1 0 381.314 2.533 20 0 GFADRO CN(CC1CC[NH+](C)CC1)S(=O)(=O)c1cc(Br)ccc1F ZINC000520517988 564606624 /nfs/dbraw/zinc/60/66/24/564606624.db2.gz CKVPTLZINDADMP-UHFFFAOYSA-N 1 0 379.295 2.551 20 0 GFADRO O=S(=O)(CC[NH2+]CCC[C@H]1CCOC1)c1cccc(Br)c1 ZINC000520569108 564608072 /nfs/dbraw/zinc/60/80/72/564608072.db2.gz UBMIZFNNBOFQHF-ZDUSSCGKSA-N 1 0 376.316 2.629 20 0 GFADRO O=C(Nc1nnc(-c2cccc(Cl)c2)s1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000572734272 564608242 /nfs/dbraw/zinc/60/82/42/564608242.db2.gz BUCOKUOZXBYLDB-BETUJISGSA-N 1 0 377.901 3.322 20 0 GFADRO CC[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)NCC[NH+](CC)CC ZINC000549944483 564610744 /nfs/dbraw/zinc/61/07/44/564610744.db2.gz GLYYSLUZEATCKL-HNNXBMFYSA-N 1 0 388.339 2.889 20 0 GFADRO CCS[C@@H]1CCCCN(C(=O)C(=O)NC[C@H](c2cccs2)[NH+](C)C)C1 ZINC000549999917 564612958 /nfs/dbraw/zinc/61/29/58/564612958.db2.gz CFJLRHPIHBUPQJ-HUUCEWRRSA-N 1 0 383.583 2.601 20 0 GFADRO O=S(=O)(c1csc(-c2ccccc2)n1)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000572859464 564613900 /nfs/dbraw/zinc/61/39/00/564613900.db2.gz FPZONGDEXNFAHK-HOTGVXAUSA-N 1 0 377.535 2.963 20 0 GFADRO C[C@H]([NH2+]C[C@@H]1CCCCN1S(=O)(=O)N(C)C)c1ccc(F)cc1Cl ZINC000520881463 564615607 /nfs/dbraw/zinc/61/56/07/564615607.db2.gz PIEMHUBQVWYXIG-JSGCOSHPSA-N 1 0 377.913 2.791 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2C(=O)Cc1cscc1Br ZINC000485432381 564615821 /nfs/dbraw/zinc/61/58/21/564615821.db2.gz CCQDFUGITRDXHX-SNPRPXQTSA-N 1 0 387.343 2.763 20 0 GFADRO O=C(NCCc1ccc(I)s1)C12CCC[NH+]1CCC2 ZINC000550162534 564615985 /nfs/dbraw/zinc/61/59/85/564615985.db2.gz DBODDDZZVSKQMG-UHFFFAOYSA-N 1 0 390.290 2.640 20 0 GFADRO C[C@@H](NC(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1)c1ncc(Br)cn1 ZINC000520945620 564616493 /nfs/dbraw/zinc/61/64/93/564616493.db2.gz RIEKSJCEGIIWFC-RISCZKNCSA-N 1 0 382.306 2.616 20 0 GFADRO CCCOc1c(Br)cc(C[NH2+][C@@H]2CC(=O)N(C)C2)cc1OCC ZINC000520973108 564616733 /nfs/dbraw/zinc/61/67/33/564616733.db2.gz IPJOXSLTTVPSFZ-CYBMUJFWSA-N 1 0 385.302 2.957 20 0 GFADRO CC[C@H](C)[NH+]1CCN(C(=O)c2cc(Br)c3c(c2)OCCO3)CC1 ZINC000456562475 564617612 /nfs/dbraw/zinc/61/76/12/564617612.db2.gz VOYRTWCYTWXXBO-LBPRGKRZSA-N 1 0 383.286 2.777 20 0 GFADRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)NCc1ccc(Cl)cc1Cl ZINC000550291906 564618973 /nfs/dbraw/zinc/61/89/73/564618973.db2.gz LTJBBZWDQZCISE-HNNXBMFYSA-N 1 0 386.323 2.846 20 0 GFADRO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)NCc1ccc(Cl)cc1Cl ZINC000550291907 564619286 /nfs/dbraw/zinc/61/92/86/564619286.db2.gz LTJBBZWDQZCISE-OAHLLOKOSA-N 1 0 386.323 2.846 20 0 GFADRO O=C(NCc1ccc(Cl)cc1Cl)C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000550300868 564619737 /nfs/dbraw/zinc/61/97/37/564619737.db2.gz AHVJCQBXKCAMSX-UHFFFAOYSA-N 1 0 384.307 2.743 20 0 GFADRO CCC[N@H+](CC)C[C@H](C)NC(=O)C(=O)Nc1cccc(C)c1Br ZINC000521126678 564620339 /nfs/dbraw/zinc/62/03/39/564620339.db2.gz JFDDARGLCNCYJX-ZDUSSCGKSA-N 1 0 384.318 2.933 20 0 GFADRO CCO[C@@H]1C[C@H]([NH2+]Cc2cc(OC)c(O)cc2Br)[C@@H]1n1cccn1 ZINC000550327267 564620739 /nfs/dbraw/zinc/62/07/39/564620739.db2.gz TYJLVXAHTRTRBL-XKQJLSEDSA-N 1 0 396.285 2.868 20 0 GFADRO O=C(N1CCc2sc(Cl)cc2C1)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000573122545 564623199 /nfs/dbraw/zinc/62/31/99/564623199.db2.gz JVLDSNJFFCEKHA-LJQANCHMSA-N 1 0 376.909 2.923 20 0 GFADRO CCC[NH+]1CCC(CNC(=O)C(=O)NCc2cccc(Cl)c2Cl)CC1 ZINC000550417189 564623504 /nfs/dbraw/zinc/62/35/04/564623504.db2.gz BQABSKSSVMZSCA-UHFFFAOYSA-N 1 0 386.323 2.848 20 0 GFADRO CC(C)[C@@H]([NH2+]C[C@H](O)COc1ccc(Br)cc1)C1(CO)CCC1 ZINC000550461612 564625022 /nfs/dbraw/zinc/62/50/22/564625022.db2.gz PFUQWHBVLYXZGM-DOTOQJQBSA-N 1 0 386.330 2.966 20 0 GFADRO O=C(N[C@@H]1CCc2c1cccc2Br)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000485775584 564625449 /nfs/dbraw/zinc/62/54/49/564625449.db2.gz MKJLVSUNTLKSKB-QMTHXVAHSA-N 1 0 375.270 2.666 20 0 GFADRO CC(C)[NH+]1CCC(NC(=O)c2cnc3ccc(Br)cc3c2O)CC1 ZINC000521357052 564625625 /nfs/dbraw/zinc/62/56/25/564625625.db2.gz QKKYQBBOFNAEKX-UHFFFAOYSA-N 1 0 392.297 2.893 20 0 GFADRO Cc1c(Br)cc(C[NH2+][C@@H]2CC(=O)N(C)C2)cc1Br ZINC000551188400 564641272 /nfs/dbraw/zinc/64/12/72/564641272.db2.gz LCBHWOABMOEDRG-SNVBAGLBSA-N 1 0 376.092 2.840 20 0 GFADRO O=C(NCc1c(Cl)cccc1Cl)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000550726264 564629888 /nfs/dbraw/zinc/62/98/88/564629888.db2.gz CMMVZRGTJZUSLN-ZDUSSCGKSA-N 1 0 384.307 2.554 20 0 GFADRO C[C@H]([NH2+]C[C@@H]1CCCCN1S(=O)(=O)N(C)C)c1cc2c(s1)CCCC2 ZINC000573284411 564631135 /nfs/dbraw/zinc/63/11/35/564631135.db2.gz YQQBUMIMCYRHQU-HOCLYGCPSA-N 1 0 385.599 2.938 20 0 GFADRO C[C@@H](NC(=O)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1)c1ccc(Br)cc1 ZINC000573343249 564634116 /nfs/dbraw/zinc/63/41/16/564634116.db2.gz JQUIMYAOZLCENC-UHOFOFEASA-N 1 0 396.329 2.615 20 0 GFADRO C[NH+]1CCC(Oc2ccc(Cl)cc2NC(=O)CCCS(C)(=O)=O)CC1 ZINC000456790589 564634909 /nfs/dbraw/zinc/63/49/09/564634909.db2.gz LGJUHBJPNQVASF-UHFFFAOYSA-N 1 0 388.917 2.576 20 0 GFADRO C[C@H](CNS(=O)(=O)c1ccc(Br)cc1)[NH+]1CCC(C)CC1 ZINC000521706849 564635167 /nfs/dbraw/zinc/63/51/67/564635167.db2.gz NCAXFAXPFXNQLI-CYBMUJFWSA-N 1 0 375.332 2.848 20 0 GFADRO CC[NH+](CC)[C@H](CNC(=O)C(=O)NCC1(SC)CCC1)c1ccsc1 ZINC000551006114 564635315 /nfs/dbraw/zinc/63/53/15/564635315.db2.gz BLVNEKKGKJKUCE-OAHLLOKOSA-N 1 0 383.583 2.649 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)c2ccn(-c3ccc(Br)cc3)n2)CC[N@@H+]1C ZINC000551094512 564637229 /nfs/dbraw/zinc/63/72/29/564637229.db2.gz YTWWHHKBLAKCJH-OCCSQVGLSA-N 1 0 377.286 2.847 20 0 GFADRO [NH3+][C@H]1CCO[C@@H](C2CCN(CC(=O)Nc3ccc(Br)cc3)CC2)C1 ZINC000573467740 564639217 /nfs/dbraw/zinc/63/92/17/564639217.db2.gz VRUFAQQAUGEWPG-DOTOQJQBSA-N 1 0 396.329 2.606 20 0 GFADRO C[C@H](NC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1cccc(Cl)c1Cl ZINC000551139635 564639288 /nfs/dbraw/zinc/63/92/88/564639288.db2.gz FDLWHJCLQBMKQV-GLQYFDAESA-N 1 0 384.307 2.914 20 0 GFADRO CC(C)[NH2+]CCCNC(=O)[C@@H](c1ccc(Cl)cc1Cl)N1CCOCC1 ZINC000573485965 564640483 /nfs/dbraw/zinc/64/04/83/564640483.db2.gz SDATUQVPXSAESO-QGZVFWFLSA-N 1 0 388.339 2.871 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C(=O)N[C@H]1CC[NH2+][C@@H](C)C1 ZINC000521999069 564641480 /nfs/dbraw/zinc/64/14/80/564641480.db2.gz XSZMMERZHPLPFM-FZMZJTMJSA-N 1 0 377.286 2.814 20 0 GFADRO O=C1CCCN1[C@@H]1CCC[N@@H+](C[C@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000522097004 564644627 /nfs/dbraw/zinc/64/46/27/564644627.db2.gz GUEXQLHNEQOQSU-CABCVRRESA-N 1 0 387.307 2.820 20 0 GFADRO C[N@@H+]1CC[C@@H](C(=O)N2CCC(C(=O)Nc3ccc(Br)cc3)CC2)C1 ZINC000522145752 564645702 /nfs/dbraw/zinc/64/57/02/564645702.db2.gz WARDYKDVRZKBBZ-CQSZACIVSA-N 1 0 394.313 2.578 20 0 GFADRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)Cc2ccccc2I)C1 ZINC000457100229 564645917 /nfs/dbraw/zinc/64/59/17/564645917.db2.gz WHPBLFFUWVIUQJ-CQSZACIVSA-N 1 0 386.277 2.775 20 0 GFADRO O=C(Nc1cc(Br)c[nH]c1=O)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000522181312 564646465 /nfs/dbraw/zinc/64/64/65/564646465.db2.gz KOGMIJFWGGIAAZ-ZDUSSCGKSA-N 1 0 391.269 2.795 20 0 GFADRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)c2c(F)cccc2I)C1 ZINC000457101315 564646701 /nfs/dbraw/zinc/64/67/01/564646701.db2.gz XYBGGEARYKSNJI-LLVKDONJSA-N 1 0 390.240 2.985 20 0 GFADRO Cc1cc(Br)c(C[NH2+][C@@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)s1 ZINC000573675268 564648734 /nfs/dbraw/zinc/64/87/34/564648734.db2.gz GGEXMGFVBGHNRA-RISCZKNCSA-N 1 0 394.356 2.645 20 0 GFADRO COc1ccc(Br)c(CNC(=O)NC[C@@H]2CC[N@@H+](C(C)C)C2)c1 ZINC000522325590 564649755 /nfs/dbraw/zinc/64/97/55/564649755.db2.gz PKSLXVZSJGODDX-ZDUSSCGKSA-N 1 0 384.318 2.987 20 0 GFADRO COCC[C@@H]([NH2+]CCN1C(=O)NC(C)(C)C1=O)c1ccc(Cl)c(Cl)c1 ZINC000551429162 564649767 /nfs/dbraw/zinc/64/97/67/564649767.db2.gz YRPQIPIVJSUQPW-CQSZACIVSA-N 1 0 388.295 2.991 20 0 GFADRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1cc(I)c[nH]1 ZINC000522364973 564650083 /nfs/dbraw/zinc/65/00/83/564650083.db2.gz GZPSRJQEJLNACI-IJLUTSLNSA-N 1 0 389.281 2.716 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)cc1Br ZINC000486384864 564650819 /nfs/dbraw/zinc/65/08/19/564650819.db2.gz YUCQCAOKMQNORL-GDBMZVCRSA-N 1 0 394.313 2.747 20 0 GFADRO C[C@@H]1CC[N@H+](C)CCN1C(=O)C(=O)N[C@H]1CCSc2ccc(Cl)cc21 ZINC000573705233 564650931 /nfs/dbraw/zinc/65/09/31/564650931.db2.gz HVJPMDUWDBUYEF-DOMZBBRYSA-N 1 0 381.929 2.546 20 0 GFADRO CC1CC[NH+](C[C@H](O)CNC(=O)c2cc3c(cccc3Br)[nH]2)CC1 ZINC000522564941 564652969 /nfs/dbraw/zinc/65/29/69/564652969.db2.gz RHALBWLCCJYAIS-CYBMUJFWSA-N 1 0 394.313 2.753 20 0 GFADRO COC1(C(=O)N(C)C[C@@H](C)Oc2ccc(Cl)c(Cl)c2)CC[NH2+]CC1 ZINC000573803888 564655090 /nfs/dbraw/zinc/65/50/90/564655090.db2.gz FPABADDKYSUPLE-GFCCVEGCSA-N 1 0 375.296 2.988 20 0 GFADRO O=C(NC[C@@H]1C[NH2+]CCCO1)Nc1ncc(Cc2ccccc2Cl)s1 ZINC000573813060 564655215 /nfs/dbraw/zinc/65/52/15/564655215.db2.gz XSDVORJBPNUKRH-ZDUSSCGKSA-N 1 0 380.901 2.887 20 0 GFADRO [NH3+]CCc1ccccc1C(=O)NCc1cc(Br)c2c(c1)OCCO2 ZINC000573858400 564656808 /nfs/dbraw/zinc/65/68/08/564656808.db2.gz JLFZVWNJFWGHRF-UHFFFAOYSA-N 1 0 391.265 2.652 20 0 GFADRO CN(C)CCN(c1ccc(Br)cn1)S(=O)(=O)c1cccs1 ZINC000573853259 564656843 /nfs/dbraw/zinc/65/68/43/564656843.db2.gz KZSXIOJWIOOUKZ-UHFFFAOYSA-N 1 0 390.328 2.663 20 0 GFADRO C[C@H]1CCN(C(=O)c2ccc(S(=O)(=O)c3ccccc3)s2)[C@@H](C)[C@H]1[NH3+] ZINC000457371739 564658404 /nfs/dbraw/zinc/65/84/04/564658404.db2.gz RMYLBQIVUZSCND-DCGLDWPTSA-N 1 0 378.519 2.779 20 0 GFADRO Ic1cccc(OCCC[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000573920302 564659869 /nfs/dbraw/zinc/65/98/69/564659869.db2.gz KRLVUFNYGVXXAE-KBPBESRZSA-N 1 0 386.277 2.601 20 0 GFADRO COCC[N@@H+]1CC[C@@H](NC(=O)NCC2(c3cccc(Br)c3)CC2)C1 ZINC000522974557 564660198 /nfs/dbraw/zinc/66/01/98/564660198.db2.gz SPUQSTXJBQGPQH-MRXNPFEDSA-N 1 0 396.329 2.501 20 0 GFADRO CCNS(=O)(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000522967760 564660307 /nfs/dbraw/zinc/66/03/07/564660307.db2.gz KBPWYPFKTGWIMQ-DZGCQCFKSA-N 1 0 379.448 2.532 20 0 GFADRO Cc1cc(Br)c(C(=O)N2CCN(CC[NH+]3CCCC3)CC2)s1 ZINC000457416958 564660554 /nfs/dbraw/zinc/66/05/54/564660554.db2.gz ULMJYXNKTGRWGJ-UHFFFAOYSA-N 1 0 386.359 2.673 20 0 GFADRO COc1cc(Cl)c(S(=O)(=O)N2CC[C@@H]3CC[N@H+](C)C[C@H]32)cc1Cl ZINC000486684871 564663246 /nfs/dbraw/zinc/66/32/46/564663246.db2.gz OHNYQXMTQSSYKM-GXFFZTMASA-N 1 0 379.309 2.717 20 0 GFADRO COC(=O)c1ccc(C[NH2+]CCCOC[C@H]2CCOC2)c(Br)c1 ZINC000551803382 564664043 /nfs/dbraw/zinc/66/40/43/564664043.db2.gz WYQURHVRIHGXDK-CYBMUJFWSA-N 1 0 386.286 2.769 20 0 GFADRO C[C@H]([NH2+][C@H]1CCC(=O)N[C@H]1C1CC1)c1ccc(I)cc1 ZINC000551811506 564664409 /nfs/dbraw/zinc/66/44/09/564664409.db2.gz DFBZRWRCNUWBKJ-FSBGKCOPSA-N 1 0 384.261 2.999 20 0 GFADRO CC[C@H]([NH2+]CCn1cc(C(=O)OC)nn1)c1cc(F)cc(Br)c1 ZINC000551813837 564664433 /nfs/dbraw/zinc/66/44/33/564664433.db2.gz XWIPVYJJKOSUPN-ZDUSSCGKSA-N 1 0 385.237 2.707 20 0 GFADRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)[C@@H](c1ccc(Br)cc1)N1CCCC1 ZINC000574038719 564665498 /nfs/dbraw/zinc/66/54/98/564665498.db2.gz MGFIAPPIHFMVHH-KBRIMQKVSA-N 1 0 380.330 2.700 20 0 GFADRO Cc1cc(Br)c(C(=O)NCC2CC[NH+](CCN(C)C)CC2)s1 ZINC000457568995 564666529 /nfs/dbraw/zinc/66/65/29/564666529.db2.gz GCDHYHWXOAJJIW-UHFFFAOYSA-N 1 0 388.375 2.822 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)c2cn(Cc3ccc(Cl)cc3Cl)nn2)CC[N@@H+]1C ZINC000457611757 564667632 /nfs/dbraw/zinc/66/76/32/564667632.db2.gz VHXJKMRGBAXWHV-BXUZGUMPSA-N 1 0 382.295 2.846 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CNC(=O)c1cnc(Sc2nccn2C)c(Cl)c1 ZINC000523508467 564668178 /nfs/dbraw/zinc/66/81/78/564668178.db2.gz VMPACYLYTABPLJ-ZDUSSCGKSA-N 1 0 379.917 2.834 20 0 GFADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@@H](C)Cc1cccc(Br)c1 ZINC000523599771 564669818 /nfs/dbraw/zinc/66/98/18/564669818.db2.gz PBBYPOMGPRTKSV-YOEHRIQHSA-N 1 0 398.345 2.790 20 0 GFADRO O=C(NCc1ccccc1C[N@H+]1CCC[C@H]1CO)c1cc(Br)co1 ZINC000457696430 564670420 /nfs/dbraw/zinc/67/04/20/564670420.db2.gz LAMJZOIWDPDSFF-INIZCTEOSA-N 1 0 393.281 2.929 20 0 GFADRO C[C@H](Sc1ccc(Cl)cc1)C(=O)N1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000574392330 564671824 /nfs/dbraw/zinc/67/18/24/564671824.db2.gz OUOTXFYNXCTZIR-SWLSCSKDSA-N 1 0 379.917 2.735 20 0 GFADRO CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)N1CCc2cc(Br)ccc2C1 ZINC000574398099 564672835 /nfs/dbraw/zinc/67/28/35/564672835.db2.gz NVRVFBPPJZXAGI-FCEWJHQRSA-N 1 0 393.325 2.866 20 0 GFADRO OCC[C@H]([NH2+]C[C@@H](O)COC[C@H]1CCCO1)c1ccc(Cl)c(Cl)c1 ZINC000552006366 564673689 /nfs/dbraw/zinc/67/36/89/564673689.db2.gz LXCLPGYEIYBQAG-CPUCHLNUSA-N 1 0 378.296 2.563 20 0 GFADRO COc1ccc(CNC(=O)NCC[N@@H+]2CCC[C@@H](C)C2)cc1Br ZINC000523885302 564674544 /nfs/dbraw/zinc/67/45/44/564674544.db2.gz AHZWESLDAISGFB-CYBMUJFWSA-N 1 0 384.318 2.989 20 0 GFADRO Cc1ccc(CNCC(=O)NCC[NH+]2CCCCCC2)c(Br)c1 ZINC000552065415 564675429 /nfs/dbraw/zinc/67/54/29/564675429.db2.gz XAUYATLDZDCDLQ-UHFFFAOYSA-N 1 0 382.346 2.839 20 0 GFADRO COc1cc(NC(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)cc(OC)c1Br ZINC000574502153 564676086 /nfs/dbraw/zinc/67/60/86/564676086.db2.gz ORIKLNULVNPMMI-TXEJJXNPSA-N 1 0 398.301 2.930 20 0 GFADRO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[N@@H+]1CCC[C@@H](CCC(N)=O)C1 ZINC000524167219 564678028 /nfs/dbraw/zinc/67/80/28/564678028.db2.gz PFPIGXXAGKXELV-ZDUSSCGKSA-N 1 0 386.323 2.929 20 0 GFADRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)[C@@H](c2ccc(Br)cc2)N2CCCC2)C1 ZINC000574571304 564680360 /nfs/dbraw/zinc/68/03/60/564680360.db2.gz DTQVHXKCQCZBNI-KBRIMQKVSA-N 1 0 380.330 2.830 20 0 GFADRO C[NH+](C)CC1CCN(C(=O)c2ccc(I)c(F)c2)CC1 ZINC000524419254 564681595 /nfs/dbraw/zinc/68/15/95/564681595.db2.gz XEONLEUZIRETFW-UHFFFAOYSA-N 1 0 390.240 2.844 20 0 GFADRO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N[C@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O ZINC000487294834 564681946 /nfs/dbraw/zinc/68/19/46/564681946.db2.gz CBDFFUOTCANLLJ-ZLDLUXBVSA-N 1 0 384.307 2.803 20 0 GFADRO C[NH+](C)CC(C)(C)NC(=O)NC[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000457974749 564682347 /nfs/dbraw/zinc/68/23/47/564682347.db2.gz SGEZCONYURDUQT-CQSZACIVSA-N 1 0 397.361 2.915 20 0 GFADRO Cc1nccc(NC(=O)NC[C@@H]2[NH2+]CCc3ccccc32)c1Br ZINC000574740802 564687256 /nfs/dbraw/zinc/68/72/56/564687256.db2.gz MKTUITHQQWCPEI-HNNXBMFYSA-N 1 0 375.270 2.583 20 0 GFADRO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N(CCOC)Cc1sccc1Br ZINC000574754541 564687963 /nfs/dbraw/zinc/68/79/63/564687963.db2.gz DYHIONAYIIBLDE-AAEUAGOBSA-N 1 0 375.332 2.874 20 0 GFADRO C[C@H]1CC[N@H+](CCNS(=O)(=O)c2cc(Br)ccc2Cl)C1 ZINC000524790629 564688404 /nfs/dbraw/zinc/68/84/04/564688404.db2.gz GFOZTJSWQHDGMU-JTQLQIEISA-N 1 0 381.723 2.723 20 0 GFADRO CC1CC[NH+](C2CCC(NS(=O)(=O)CCOCC(F)(F)F)CC2)CC1 ZINC000574962095 564689424 /nfs/dbraw/zinc/68/94/24/564689424.db2.gz PKFRLFURIUJNDG-UHFFFAOYSA-N 1 0 386.480 2.528 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2ccccc2Br)C[C@H]1C ZINC000524872619 564689695 /nfs/dbraw/zinc/68/96/95/564689695.db2.gz OLOXKKISJBYDJZ-OLZOCXBDSA-N 1 0 375.332 2.942 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2ccccc2Br)C[C@@H]1C ZINC000524872621 564689721 /nfs/dbraw/zinc/68/97/21/564689721.db2.gz OLOXKKISJBYDJZ-STQMWFEESA-N 1 0 375.332 2.942 20 0 GFADRO C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000458157976 564691979 /nfs/dbraw/zinc/69/19/79/564691979.db2.gz CWNYAGROOKSOTG-CHWSQXEVSA-N 1 0 386.323 2.960 20 0 GFADRO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCc1ccc(I)cc1Cl ZINC000487588159 564692194 /nfs/dbraw/zinc/69/21/94/564692194.db2.gz HNEHRKHPRWIPNA-BXKDBHETSA-N 1 0 392.668 2.759 20 0 GFADRO CC(C)[NH+]1CCC(NC(=O)N(CCO)Cc2cccc(Br)c2)CC1 ZINC000487626528 564693031 /nfs/dbraw/zinc/69/30/31/564693031.db2.gz WULCVFOFLUXNKL-UHFFFAOYSA-N 1 0 398.345 2.826 20 0 GFADRO C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000525169850 564693699 /nfs/dbraw/zinc/69/36/99/564693699.db2.gz IKGFOGWNIYQWRM-GDBMZVCRSA-N 1 0 380.330 2.606 20 0 GFADRO CC[NH+](CC)CC(=O)N[C@@H](C)c1ccc(Br)cc1OCCCO ZINC000552515859 564694086 /nfs/dbraw/zinc/69/40/86/564694086.db2.gz BCHYWAQXOVSIOM-ZDUSSCGKSA-N 1 0 387.318 2.729 20 0 GFADRO Cc1nc(C(=O)NCC[N@H+]2CC[C@H](C)C2)nn1-c1c(Cl)cccc1Cl ZINC000525291822 564698191 /nfs/dbraw/zinc/69/81/91/564698191.db2.gz BTEUVEZEAVWIDY-NSHDSACASA-N 1 0 382.295 2.954 20 0 GFADRO CSC[C@@H]1CCC[N@@H+]1CC(=O)N1CCN(Cc2cccc(Cl)c2)CC1 ZINC000487974382 564700699 /nfs/dbraw/zinc/70/06/99/564700699.db2.gz ADNLEEKFESVWEF-SFHVURJKSA-N 1 0 381.973 2.812 20 0 GFADRO CCC[NH+]1CCC(NC(=O)NCc2nc3c(cccc3Br)[nH]2)CC1 ZINC000458451511 564702965 /nfs/dbraw/zinc/70/29/65/564702965.db2.gz GYIXCEOHAKIVKB-UHFFFAOYSA-N 1 0 394.317 2.999 20 0 GFADRO COCc1cc(Cl)cc(S(=O)(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)c1 ZINC000575783752 564703985 /nfs/dbraw/zinc/70/39/85/564703985.db2.gz IPGSLDIETLDWMG-ZWKOTPCHSA-N 1 0 380.897 2.520 20 0 GFADRO COC(=O)c1cc(NC(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)ccc1Br ZINC000552969318 564705097 /nfs/dbraw/zinc/70/50/97/564705097.db2.gz MJOMVDDZFJWVPD-ZYHUDNBSSA-N 1 0 384.274 2.840 20 0 GFADRO OCC[N@@H+](Cc1cccc(Br)c1)C[C@H](O)COc1ccccc1 ZINC000488162663 564705181 /nfs/dbraw/zinc/70/51/81/564705181.db2.gz NJDQRXAZBDSBNU-KRWDZBQOSA-N 1 0 380.282 2.683 20 0 GFADRO CC[NH+]1CCN([C@H]2CCN(C(=O)NCc3cccc(Cl)c3Cl)C2)CC1 ZINC000553002148 564705899 /nfs/dbraw/zinc/70/58/99/564705899.db2.gz HRAQGHRBCVRTAT-HNNXBMFYSA-N 1 0 385.339 2.915 20 0 GFADRO CCOc1cc(C[NH2+][C@@H]2CC(=O)N([C@H]3C[C@H]3C)C2)cc(Br)c1OC ZINC000525709672 564706071 /nfs/dbraw/zinc/70/60/71/564706071.db2.gz ZSDLQVRZTQQJJY-KYOSRNDESA-N 1 0 397.313 2.955 20 0 GFADRO C[C@H]1C[NH+](CC(=O)N2CCN(Cc3cccc(Cl)c3)CC2)C[C@H](C)S1 ZINC000525783891 564708230 /nfs/dbraw/zinc/70/82/30/564708230.db2.gz NFFYSRGVCHKRJD-HOTGVXAUSA-N 1 0 381.973 2.810 20 0 GFADRO CC[N@H+](Cc1cccc(Br)c1)[C@H]1CCN(c2cnn(C)c2)C1=O ZINC000488280535 564709584 /nfs/dbraw/zinc/70/95/84/564709584.db2.gz MHOLTUBEBGPOEJ-INIZCTEOSA-N 1 0 377.286 2.810 20 0 GFADRO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)NCCCc1ccc(Cl)cc1Cl ZINC000553094732 564709779 /nfs/dbraw/zinc/70/97/79/564709779.db2.gz PAWABFUENYAJPX-CYBMUJFWSA-N 1 0 388.339 2.889 20 0 GFADRO Cc1cc(Br)cn2cc(CNC(=O)NC[C@H]3CC[C@H](C)O3)nc12 ZINC000458648538 564709863 /nfs/dbraw/zinc/70/98/63/564709863.db2.gz HQEDPZWAWWPRGV-SMDDNHRTSA-N 1 0 381.274 2.772 20 0 GFADRO COc1ccc(C[NH2+]C2(CO)Cc3ccccc3C2)c(Br)c1O ZINC000576270628 564710439 /nfs/dbraw/zinc/71/04/39/564710439.db2.gz CFYXAZKDQVWQSE-UHFFFAOYSA-N 1 0 378.266 2.783 20 0 GFADRO Cc1cc(CNC(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)ccc1Br ZINC000458721752 564714640 /nfs/dbraw/zinc/71/46/40/564714640.db2.gz GLCFVMFFSMNFIT-UHFFFAOYSA-N 1 0 397.361 2.583 20 0 GFADRO CS[C@@H]1CN(CC(=O)Nc2nc(-c3cccs3)cs2)C[C@H]1[NH+](C)C ZINC000553314831 564715401 /nfs/dbraw/zinc/71/54/01/564715401.db2.gz BGHDTOMYGNJMTG-TZMCWYRMSA-N 1 0 382.580 2.788 20 0 GFADRO COC(=O)C(C)(C)CC[N@@H+]1CCCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000525992805 564715553 /nfs/dbraw/zinc/71/55/53/564715553.db2.gz XNMJFYQVSKSEKK-UHFFFAOYSA-N 1 0 380.436 2.658 20 0 GFADRO FC(F)(F)c1nc(NCCCC[NH+]2CCOCC2)ccc1Br ZINC000553295739 564715843 /nfs/dbraw/zinc/71/58/43/564715843.db2.gz QDLXVOFGMQUTBG-UHFFFAOYSA-N 1 0 382.224 3.387 20 0 GFADRO C[C@@]1(CNC(=O)c2nn(-c3ccc(F)cc3)cc2Br)CCC[NH2+]C1 ZINC000576745161 564717893 /nfs/dbraw/zinc/71/78/93/564717893.db2.gz MHTPWGDIXCKGEY-QGZVFWFLSA-N 1 0 395.276 2.893 20 0 GFADRO O=C(CCNc1ncc(C(F)(F)F)cc1Cl)N[C@@H]1C[NH2+]CCC1(F)F ZINC000576754682 564718209 /nfs/dbraw/zinc/71/82/09/564718209.db2.gz XMWJRONMCFKOKZ-SNVBAGLBSA-N 1 0 386.752 2.669 20 0 GFADRO COc1cc(C(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)cc(Br)c1OC ZINC000576752871 564718407 /nfs/dbraw/zinc/71/84/07/564718407.db2.gz JFQJBRKLQCZLMV-ZDUSSCGKSA-N 1 0 397.313 2.928 20 0 GFADRO C[N@@H+]1CC[C@]2(CCN(c3ncnc4ccc(I)cc43)C2)C1 ZINC000488725129 564718891 /nfs/dbraw/zinc/71/88/91/564718891.db2.gz ZVCJXVPWPXLDOL-INIZCTEOSA-N 1 0 394.260 2.766 20 0 GFADRO C[C@@H]1[C@@H](CO)CC[N@@H+]1CCCOc1cccc(I)c1 ZINC000488745925 564719008 /nfs/dbraw/zinc/71/90/08/564719008.db2.gz BNEHDJUBPDOXMH-CHWSQXEVSA-N 1 0 375.250 2.763 20 0 GFADRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)Nc2ccnc(C)c2Br)C1 ZINC000526097281 564719745 /nfs/dbraw/zinc/71/97/45/564719745.db2.gz CINYCQASRFADHU-CQSZACIVSA-N 1 0 399.333 2.539 20 0 GFADRO CC[N@@H+]1C[C@@H](C)N(C(=O)Cc2ccc(I)cc2)C[C@@H]1C ZINC000488784960 564721064 /nfs/dbraw/zinc/72/10/64/564721064.db2.gz MISVYMWPLPVPOY-QWHCGFSZSA-N 1 0 386.277 2.775 20 0 GFADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)S(=O)(=O)CCCCF ZINC000553462336 564721169 /nfs/dbraw/zinc/72/11/69/564721169.db2.gz MXKSLQCTYWJOEE-UHFFFAOYSA-N 1 0 395.338 2.892 20 0 GFADRO Cc1nc(CNC(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)sc1Br ZINC000458919645 564724015 /nfs/dbraw/zinc/72/40/15/564724015.db2.gz DWCNKGQIVOXARS-ONGXEEELSA-N 1 0 375.336 2.838 20 0 GFADRO Cc1nc(CNC(=O)N2CC[C@@H]([NH+]3CCCC3)[C@H]2C)sc1Br ZINC000458920507 564724073 /nfs/dbraw/zinc/72/40/73/564724073.db2.gz FQRRAGDZEGATJA-VXGBXAGGSA-N 1 0 387.347 2.982 20 0 GFADRO Cc1nc(CNC(=O)N2CCC[C@H]2C[NH+]2CCCC2)sc1Br ZINC000458920556 564724206 /nfs/dbraw/zinc/72/42/06/564724206.db2.gz FYKZTDMPJKRSFK-LBPRGKRZSA-N 1 0 387.347 2.984 20 0 GFADRO O=C(NCCOc1ccc(Cl)c(Cl)c1)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000458936185 564724873 /nfs/dbraw/zinc/72/48/73/564724873.db2.gz GUUBRCSWDQTPRV-CYBMUJFWSA-N 1 0 390.311 2.518 20 0 GFADRO COCC[N@@H+]1CC[C@@H](NC(=O)N2CCc3c(Br)cc(C)cc3C2)C1 ZINC000488957886 564725275 /nfs/dbraw/zinc/72/52/75/564725275.db2.gz VVEKIYICJJJXLY-OAHLLOKOSA-N 1 0 396.329 2.546 20 0 GFADRO O=C(NCCOc1ccc(Cl)c(Cl)c1)NC[C@@H]1CCC[N@H+]1CCCO ZINC000458945138 564725788 /nfs/dbraw/zinc/72/57/88/564725788.db2.gz PYEVFORZWKDJDO-ZDUSSCGKSA-N 1 0 390.311 2.518 20 0 GFADRO C[C@@H]1Cc2cc(S(=O)(=O)N3CC[C@H]([NH+]4CCCC4)[C@@H]3C)cc(Cl)c2O1 ZINC000553557515 564726020 /nfs/dbraw/zinc/72/60/20/564726020.db2.gz HQTFMBJUEFIMPX-IGCXYCKISA-N 1 0 384.929 2.911 20 0 GFADRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1S(=O)(=O)c1ccccc1OC(F)(F)F ZINC000553559511 564726773 /nfs/dbraw/zinc/72/67/73/564726773.db2.gz IWRNEJXFLBFXCX-OLZOCXBDSA-N 1 0 378.416 2.833 20 0 GFADRO C[C@H](O)C[N@@H+]1CCN(C(=O)NC/C=C/c2ccc(Br)cc2)[C@H](C)C1 ZINC000458981809 564727689 /nfs/dbraw/zinc/72/76/89/564727689.db2.gz TWBXYBUPVTXWTE-RYIMYRPNSA-N 1 0 396.329 2.559 20 0 GFADRO CCOC(=O)C1CCC(O)(C[NH2+]CCNc2ncc(Cl)cc2Cl)CC1 ZINC000577171943 564728428 /nfs/dbraw/zinc/72/84/28/564728428.db2.gz OGHOJSJHACONQJ-UHFFFAOYSA-N 1 0 390.311 2.874 20 0 GFADRO O[C@@]1(C2CC2)CC[N@H+](CCCOc2cccc(I)c2)C1 ZINC000489149735 564731563 /nfs/dbraw/zinc/73/15/63/564731563.db2.gz MYEOWRCGBXJHCJ-INIZCTEOSA-N 1 0 387.261 2.907 20 0 GFADRO CC[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2cccc(OC(F)(F)F)c2F)C1 ZINC000489233614 564733171 /nfs/dbraw/zinc/73/31/71/564733171.db2.gz RRUYRKNDVLKZFR-NSHDSACASA-N 1 0 384.395 2.735 20 0 GFADRO C[C@H](NS(=O)(=O)Cc1cccc(Br)c1)C(C)(C)C[NH+](C)C ZINC000553767170 564734902 /nfs/dbraw/zinc/73/49/02/564734902.db2.gz DYUILGAYGAHCON-LBPRGKRZSA-N 1 0 377.348 2.845 20 0 GFADRO O=C(NCCn1cc(Br)cn1)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000553792579 564735822 /nfs/dbraw/zinc/73/58/22/564735822.db2.gz OZDXCXZFIIONLY-INIZCTEOSA-N 1 0 398.349 2.742 20 0 GFADRO COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)NC[C@@H](C)[NH+]1CCCC1 ZINC000527293645 564737504 /nfs/dbraw/zinc/73/75/04/564737504.db2.gz BTGMNBFRNFOSFO-ZIAGYGMSSA-N 1 0 390.933 2.516 20 0 GFADRO C[N@@H+]1CCC[C@@H](CCNC(=O)N[C@H](CO)c2cccc(Br)c2)C1 ZINC000459243874 564737762 /nfs/dbraw/zinc/73/77/62/564737762.db2.gz AFQMCDCKKQZZLR-XJKSGUPXSA-N 1 0 384.318 2.514 20 0 GFADRO CCC(C)(C)[NH2+][C@@H](C)C(=O)N[C@H](CO)c1ccc(Br)c(F)c1 ZINC000553815951 564737996 /nfs/dbraw/zinc/73/79/96/564737996.db2.gz QIGYACZJTVKHHI-IINYFYTJSA-N 1 0 375.282 2.905 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)Cc2ccccc2Br)[C@@H](C)C1 ZINC000553842129 564739364 /nfs/dbraw/zinc/73/93/64/564739364.db2.gz RAZVGUAGBNGAFB-XJKSGUPXSA-N 1 0 389.359 2.941 20 0 GFADRO CC(C)[N@H+](CCN1C(=O)N[C@@H](C)C1=O)Cc1cc(Br)ccc1F ZINC000459323604 564739921 /nfs/dbraw/zinc/73/99/21/564739921.db2.gz IVANXTFBTPDPTD-NSHDSACASA-N 1 0 386.265 2.739 20 0 GFADRO Oc1cccc(CNC[C@H](O)C[N@@H+]2CCc3ccccc3C2)c1Br ZINC000459372231 564741459 /nfs/dbraw/zinc/74/14/59/564741459.db2.gz UKYBJAASFMZKMB-KRWDZBQOSA-N 1 0 391.309 2.664 20 0 GFADRO Cc1ccc([C@@H](CNC(=O)NCCn2cc(Br)cn2)[NH+](C)C)cc1 ZINC000553873198 564742415 /nfs/dbraw/zinc/74/24/15/564742415.db2.gz VNARBGAXBDGGFF-MRXNPFEDSA-N 1 0 394.317 2.556 20 0 GFADRO CN(CCC[NH+]1CCCC1)S(=O)(=O)c1c(F)cccc1OC(F)(F)F ZINC000553894829 564743259 /nfs/dbraw/zinc/74/32/59/564743259.db2.gz GMPZOCZKLZIEKJ-UHFFFAOYSA-N 1 0 384.395 2.831 20 0 GFADRO FC(F)(F)c1cnc(NCC[NH2+][C@@H](C2CC2)[C@@H]2CNCCO2)c(Cl)c1 ZINC000578348163 564743396 /nfs/dbraw/zinc/74/33/96/564743396.db2.gz QTKMGYNUZRMFBC-KBPBESRZSA-N 1 0 378.826 2.522 20 0 GFADRO CCOc1cc(C[NH2+][C@@H]2CC(=O)N([C@H]3C[C@H]3C)C2)cc(Br)c1O ZINC000459409451 564743856 /nfs/dbraw/zinc/74/38/56/564743856.db2.gz BHCOPZCTXNLIEH-QKCSRTOESA-N 1 0 383.286 2.652 20 0 GFADRO COCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(Br)c3cc(C)oc32)C1 ZINC000527487372 564744103 /nfs/dbraw/zinc/74/41/03/564744103.db2.gz IDJICQOCDGJWAH-GFCCVEGCSA-N 1 0 381.270 2.954 20 0 GFADRO C[NH+]1CCN(Cc2ccc(NC(=O)c3ncccc3Br)cc2)CC1 ZINC000527523372 564745041 /nfs/dbraw/zinc/74/50/41/564745041.db2.gz WOAYCXISQQBOQS-UHFFFAOYSA-N 1 0 389.297 2.844 20 0 GFADRO CN(C)S(=O)(=O)[C@@H]1C[N@H+](C[C@@H]2C[C@H]2c2ccccc2)C[C@H]1C(F)(F)F ZINC000459536926 564749253 /nfs/dbraw/zinc/74/92/53/564749253.db2.gz LZUGMIZLGIZICO-CAOSSQGBSA-N 1 0 376.444 2.544 20 0 GFADRO C[N@H+](CCOc1ccc(S(N)(=O)=O)cc1F)CC1CCC(F)(F)CC1 ZINC000459521440 564749449 /nfs/dbraw/zinc/74/94/49/564749449.db2.gz SZQXVFLSEKOSGF-UHFFFAOYSA-N 1 0 380.432 2.609 20 0 GFADRO CCS(=O)(=O)N1CCC(C[NH2+][C@@H](COC)c2cccc(Cl)c2F)CC1 ZINC000554090216 564750199 /nfs/dbraw/zinc/75/01/99/564750199.db2.gz NQXHHRGKYLKZCC-INIZCTEOSA-N 1 0 392.924 2.818 20 0 GFADRO Cc1c(Br)cccc1C[C@@H](CO)C[NH2+]Cc1cn2cccnc2n1 ZINC000459560487 564750581 /nfs/dbraw/zinc/75/05/81/564750581.db2.gz AKYUKZJQXAIAFR-CQSZACIVSA-N 1 0 389.297 2.741 20 0 GFADRO O=C(Nc1cccc(Cl)c1Cl)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000579809259 564752342 /nfs/dbraw/zinc/75/23/42/564752342.db2.gz NDZNORJNCRMNPM-GFCCVEGCSA-N 1 0 385.295 2.669 20 0 GFADRO Brc1ccc(-c2n[nH]cc2CNCc2nnc3n2CCC3)s1 ZINC000527636472 564752389 /nfs/dbraw/zinc/75/23/89/564752389.db2.gz UQYVHAABHBJDQJ-UHFFFAOYSA-N 1 0 379.287 2.728 20 0 GFADRO CC(C)[N@H+](C)C[C@H](C)NC(=O)C(=O)Nc1ccc(Br)c(Cl)c1 ZINC000579899207 564753251 /nfs/dbraw/zinc/75/32/51/564753251.db2.gz LRLCFAHVSXCMEC-JTQLQIEISA-N 1 0 390.709 2.886 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)CCC[N@@H+]1CCC[C@](O)(CO)C1 ZINC000459625945 564753695 /nfs/dbraw/zinc/75/36/95/564753695.db2.gz BRLGZMDWJMBRHD-GOSISDBHSA-N 1 0 399.329 2.604 20 0 GFADRO CC[NH+](CC)CC[C@H](CO)NC(=O)c1ccc(Br)c(Cl)c1 ZINC000579971156 564754157 /nfs/dbraw/zinc/75/41/57/564754157.db2.gz VSSFHKLEQCHOBR-GFCCVEGCSA-N 1 0 377.710 2.925 20 0 GFADRO CNC(=O)[C@H](CCSC)[NH2+][C@H](C)CC(=O)Nc1cc(Cl)ccc1OC ZINC000489827633 564754251 /nfs/dbraw/zinc/75/42/51/564754251.db2.gz NPILWMMNNSVYCT-YPMHNXCESA-N 1 0 387.933 2.523 20 0 GFADRO C[C@@H](O)CC(C)(C)C[NH2+]CCS(=O)(=O)c1cccc(Br)c1 ZINC000580304800 564755183 /nfs/dbraw/zinc/75/51/83/564755183.db2.gz YLXZGFUOPRITHZ-GFCCVEGCSA-N 1 0 378.332 2.610 20 0 GFADRO CNC(=O)[C@H]1CCC[C@H]1[NH2+]Cc1c[nH]nc1-c1ccc(Br)s1 ZINC000527688160 564755160 /nfs/dbraw/zinc/75/51/60/564755160.db2.gz WCYGOYRRDNHKAP-WDEREUQCSA-N 1 0 383.315 2.905 20 0 GFADRO CN1CC[NH2+]C[C@@H]1CNC(=O)C1(c2cccc(Br)c2)CCCCC1 ZINC000580304055 564755190 /nfs/dbraw/zinc/75/51/90/564755190.db2.gz PHEIBQWGZQSVTC-QGZVFWFLSA-N 1 0 394.357 2.671 20 0 GFADRO COc1cccc(C[NH2+]C[C@H](CO)Cc2cc(F)cc(Br)c2)n1 ZINC000459698697 564758039 /nfs/dbraw/zinc/75/80/39/564758039.db2.gz KZFCYIWSMMNMDE-CYBMUJFWSA-N 1 0 383.261 2.933 20 0 GFADRO Cc1cc(C[NH2+]C[C@@H](O)COc2ccc(Cl)cc2Br)n(C)n1 ZINC000580436590 564758294 /nfs/dbraw/zinc/75/82/94/564758294.db2.gz DJAQNNGOWXFPOH-CYBMUJFWSA-N 1 0 388.693 2.674 20 0 GFADRO N[C@@](C(=O)N1CCC2(CC[NH2+]C2)CC1)(c1cccc(Cl)c1)C(F)(F)F ZINC000580428362 564758569 /nfs/dbraw/zinc/75/85/69/564758569.db2.gz HGAULLDAJYYUJC-MRXNPFEDSA-N 1 0 375.822 2.658 20 0 GFADRO O[C@H](COc1cccc(Br)c1)C[N@@H+]1CC2(CCC2)[C@@H]2COC[C@H]21 ZINC000459744958 564759485 /nfs/dbraw/zinc/75/94/85/564759485.db2.gz ZXLWAEMKUPZUNF-USXIJHARSA-N 1 0 382.298 2.690 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+]C[C@@H](O)[C@@H]1CCCO1 ZINC000527757544 564759543 /nfs/dbraw/zinc/75/95/43/564759543.db2.gz KCXUESGDEVOOJV-SJORKVTESA-N 1 0 380.286 2.573 20 0 GFADRO OC[C@]1([NH2+]Cc2cc3c(cc2Br)OCO3)COc2ccccc2C1 ZINC000527769136 564760340 /nfs/dbraw/zinc/76/03/40/564760340.db2.gz WKHVQHSUZFBSIP-SFHVURJKSA-N 1 0 392.249 2.634 20 0 GFADRO COc1ccc(Br)c(C[NH2+][C@@]2(CO)COc3ccccc3C2)c1 ZINC000527771021 564760660 /nfs/dbraw/zinc/76/06/60/564760660.db2.gz YVXWEUIFLPCINV-SFHVURJKSA-N 1 0 378.266 2.914 20 0 GFADRO C[C@H](CNC(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)Oc1cccc(Br)c1 ZINC000580532263 564763428 /nfs/dbraw/zinc/76/34/28/564763428.db2.gz CXMUKRBGAWNZTN-IXYNUQLISA-N 1 0 396.329 2.904 20 0 GFADRO [NH3+]CC[C@@H](NC(=O)c1cnn(-c2ncccc2Cl)c1C(F)F)C(F)F ZINC000580562628 564764590 /nfs/dbraw/zinc/76/45/90/564764590.db2.gz TUIVSOYNONEECO-SECBINFHSA-N 1 0 379.745 2.571 20 0 GFADRO C[C@@H](NC(=O)N1CC[C@@H]([N@H+](C)CCO)[C@H]1C)c1ccc(Br)s1 ZINC000490165787 564765734 /nfs/dbraw/zinc/76/57/34/564765734.db2.gz QKZOEOFJVYUQBQ-IJLUTSLNSA-N 1 0 390.347 2.668 20 0 GFADRO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@@H]1CCN1C1CCCCC1 ZINC000527954500 564766147 /nfs/dbraw/zinc/76/61/47/564766147.db2.gz ZSAZBQSSKSBEPU-YOEHRIQHSA-N 1 0 382.346 2.996 20 0 GFADRO C[N@@H+]1CC[C@H]2CCN(C(=O)C3=Cc4cc(Br)ccc4OC3)[C@H]2C1 ZINC000490226434 564766464 /nfs/dbraw/zinc/76/64/64/564766464.db2.gz BDQFKVOJICRBOQ-LRDDRELGSA-N 1 0 377.282 2.778 20 0 GFADRO Cc1ccc(I)c(C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)c1 ZINC000490303135 564767953 /nfs/dbraw/zinc/76/79/53/564767953.db2.gz ZWPBKVZVGIDMJT-WFASDCNBSA-N 1 0 384.261 2.766 20 0 GFADRO CC(C)[C@@H]1CN(C(=O)c2c(F)cccc2I)CC[N@@H+]1C ZINC000490310536 564768202 /nfs/dbraw/zinc/76/82/02/564768202.db2.gz MCEPZFKHJKXNJL-ZDUSSCGKSA-N 1 0 390.240 2.843 20 0 GFADRO O=S(=O)(c1c(Cl)cccc1Cl)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000528061860 564769101 /nfs/dbraw/zinc/76/91/01/564769101.db2.gz XJXDNQDBDBXBQY-CYBMUJFWSA-N 1 0 393.336 2.773 20 0 GFADRO CC[C@H](CSC)N(C)C(=O)C(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000554743888 564771582 /nfs/dbraw/zinc/77/15/82/564771582.db2.gz SNJOUXTZGSXNCE-CVEARBPZSA-N 1 0 385.961 2.659 20 0 GFADRO Cc1ccc(C)c(OC[C@@H](O)C[N@H+](C)CCn2cc(Br)cn2)c1C ZINC000554749916 564772655 /nfs/dbraw/zinc/77/26/55/564772655.db2.gz ZPKBMMCZMIKVLP-KRWDZBQOSA-N 1 0 396.329 2.943 20 0 GFADRO [NH3+]C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)c1ccc(Cl)c(Cl)c1)C2=O ZINC000580771667 564773587 /nfs/dbraw/zinc/77/35/87/564773587.db2.gz JJULTNHCHSUDBX-APPDUMDISA-N 1 0 384.263 2.616 20 0 GFADRO C[C@H]([NH2+]C[C@@H]1CCCCS1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000554812782 564774696 /nfs/dbraw/zinc/77/46/96/564774696.db2.gz GVUSLFKZRBCEIP-RDJZCZTQSA-N 1 0 384.567 2.644 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)N2CCOc3ccc(Br)cc3C2)CC[N@@H+]1C ZINC000554901039 564776288 /nfs/dbraw/zinc/77/62/88/564776288.db2.gz JLSVPIXTQULIGZ-IUODEOHRSA-N 1 0 382.302 2.836 20 0 GFADRO CN(Cc1c(F)cccc1Cl)S(=O)(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000580892939 564778255 /nfs/dbraw/zinc/77/82/55/564778255.db2.gz PJTAIXOQDKHTEP-UHFFFAOYSA-N 1 0 389.924 2.621 20 0 GFADRO Fc1c(Br)ccc(CN2CCN(CC[NH+]3CCCC3)CC2)c1F ZINC000528353564 564779497 /nfs/dbraw/zinc/77/94/97/564779497.db2.gz WETJNDJCSTZXLU-UHFFFAOYSA-N 1 0 388.300 2.941 20 0 GFADRO CC(C)[N@H+](C)C[C@@H](C)NC(=O)C(=O)Nc1ccc(Br)cc1Cl ZINC000555057661 564781736 /nfs/dbraw/zinc/78/17/36/564781736.db2.gz RLWYPJDVWUZRHS-SNVBAGLBSA-N 1 0 390.709 2.886 20 0 GFADRO NC(=O)c1ccc(NC(=O)CC[N@H+]2CC=C(C(F)(F)F)CC2)cc1Cl ZINC000580966135 564782498 /nfs/dbraw/zinc/78/24/98/564782498.db2.gz MFZHZSJQBPBRST-UHFFFAOYSA-N 1 0 375.778 2.962 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)Cc2noc3ccc(Br)cc32)C[N@@H+]1C1CC1 ZINC000581067203 564786012 /nfs/dbraw/zinc/78/60/12/564786012.db2.gz ZNQLPKJALIPCPK-ZYHUDNBSSA-N 1 0 378.270 2.874 20 0 GFADRO C[C@H]1CN(C(=O)NCCCn2cc(Br)cn2)CC[N@@H+](C2CCC2)C1 ZINC000491150829 564787348 /nfs/dbraw/zinc/78/73/48/564787348.db2.gz VBIXSQHGKXIWQR-CQSZACIVSA-N 1 0 398.349 2.552 20 0 GFADRO C[C@]1(CNC(=O)CNC(=O)c2sc3ccccc3c2Cl)CCC[NH2+]C1 ZINC000581130412 564788734 /nfs/dbraw/zinc/78/87/34/564788734.db2.gz OINMIUIISFVHPH-SFHVURJKSA-N 1 0 379.913 2.790 20 0 GFADRO CO[C@@]1(C[NH2+][C@H](C)c2nnn(-c3cccc(Br)c3)c2C)CCOC1 ZINC000461089978 564789074 /nfs/dbraw/zinc/78/90/74/564789074.db2.gz RYPLYSJYNADTET-SJKOYZFVSA-N 1 0 395.301 2.794 20 0 GFADRO CC[C@@H]([NH2+]CCNS(=O)(=O)c1cc(C)ccc1Br)C1CC1 ZINC000581137242 564789518 /nfs/dbraw/zinc/78/95/18/564789518.db2.gz OTQKATHEPWDSHJ-CQSZACIVSA-N 1 0 375.332 2.814 20 0 GFADRO O[C@@H](c1ccc(Br)cc1)[C@@H]1CCC[N@@H+](C[C@@H](O)CC2(O)CCC2)C1 ZINC000528501278 564789742 /nfs/dbraw/zinc/78/97/42/564789742.db2.gz BSROEXVFFZCHGQ-NJAFHUGGSA-N 1 0 398.341 2.861 20 0 GFADRO C[C@@]1(Br)C[C@H]1C(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000528528085 564790265 /nfs/dbraw/zinc/79/02/65/564790265.db2.gz RVBWSEZNAGMLPQ-FUHWJXTLSA-N 1 0 381.314 2.951 20 0 GFADRO CC(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[NH+](C2CC2)CC1 ZINC000555356301 564790461 /nfs/dbraw/zinc/79/04/61/564790461.db2.gz DPRZLFAXKUVWLC-UHFFFAOYSA-N 1 0 393.333 2.976 20 0 GFADRO C[N@@H+]1CCC[C@]2(CCN(S(=O)(=O)Cc3ccc(Br)cc3)C2)C1 ZINC000555404640 564791302 /nfs/dbraw/zinc/79/13/02/564791302.db2.gz ASLIQUNXANAHIV-INIZCTEOSA-N 1 0 387.343 2.697 20 0 GFADRO CS(=O)(=O)Nc1ccc(NC(=O)C2C[NH+](C3CCCCC3)C2)cc1Cl ZINC000581175705 564791377 /nfs/dbraw/zinc/79/13/77/564791377.db2.gz MVRGVLHOBOICFD-UHFFFAOYSA-N 1 0 385.917 2.915 20 0 GFADRO CCCc1ccc(Cl)c(S(=O)(=O)N2CCO[C@@H]3CC[N@H+](CC)C[C@@H]32)c1 ZINC000555385930 564791778 /nfs/dbraw/zinc/79/17/78/564791778.db2.gz IACLBIDMCYFJKA-DLBZAZTESA-N 1 0 386.945 2.776 20 0 GFADRO O=S(=O)(NC[C@H]1CCC[N@@H+](CCCOc2cccc(Cl)c2)C1)C1CC1 ZINC000581215324 564793457 /nfs/dbraw/zinc/79/34/57/564793457.db2.gz OXCBOVKTFCEUHH-OAHLLOKOSA-N 1 0 386.945 2.903 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CNC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC000581259560 564795184 /nfs/dbraw/zinc/79/51/84/564795184.db2.gz NHQWXHPZBSFWKB-UHFFFAOYSA-N 1 0 382.302 2.544 20 0 GFADRO C[N@@H+]1C[C@@H](NC(=O)Cc2ccc(Br)cc2O)[C@@H](c2ccccc2)C1 ZINC000491683930 564795199 /nfs/dbraw/zinc/79/51/99/564795199.db2.gz DCFDIGIVBPHQRK-IAGOWNOFSA-N 1 0 389.293 2.911 20 0 GFADRO COCCC1CC[NH+](Cc2cc(=O)n3cc(Br)ccc3n2)CC1 ZINC000528576534 564795846 /nfs/dbraw/zinc/79/58/46/564795846.db2.gz VVTALWLYDLJRCJ-UHFFFAOYSA-N 1 0 380.286 2.706 20 0 GFADRO C[N@H+](CCNC(=O)N1CCO[C@H](c2ccc(Br)cc2)C1)C1CC1 ZINC000491888567 564796460 /nfs/dbraw/zinc/79/64/60/564796460.db2.gz LCTGMOWERONNOY-INIZCTEOSA-N 1 0 382.302 2.626 20 0 GFADRO COc1cc(Br)c(C[NH2+]C2CCN(C(=O)C3CC3)CC2)cc1O ZINC000491980116 564797850 /nfs/dbraw/zinc/79/78/50/564797850.db2.gz QAGBCCMVGVJDNL-UHFFFAOYSA-N 1 0 383.286 2.654 20 0 GFADRO COCCO[C@@H]1COCC[C@H]1[NH2+][C@@H]1CCc2cccc(Br)c2C1 ZINC000555577794 564798805 /nfs/dbraw/zinc/79/88/05/564798805.db2.gz SJXUJQIWVCLXMM-ZTFGCOKTSA-N 1 0 384.314 2.717 20 0 GFADRO COC(=O)c1ccc(S(=O)(=O)N(CCC[NH3+])CC2CCCC2)cc1Cl ZINC000581369688 564799229 /nfs/dbraw/zinc/79/92/29/564799229.db2.gz PBXPRPNBVJBJHC-UHFFFAOYSA-N 1 0 388.917 2.656 20 0 GFADRO O=C(Nc1nc(C(F)(F)F)cs1)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000528669410 564799865 /nfs/dbraw/zinc/79/98/65/564799865.db2.gz RLFRRCXJGGKXMQ-NSHDSACASA-N 1 0 378.420 2.784 20 0 GFADRO NS(=O)(=O)C[C@@H]1CCC[N@H+](CC/C=C\c2ccc(Br)cc2)C1 ZINC000581393034 564800594 /nfs/dbraw/zinc/80/05/94/564800594.db2.gz BMBXUILPCBYATN-AIOIPUTFSA-N 1 0 387.343 2.853 20 0 GFADRO [NH3+]CC1(NC(=O)Nc2nnc(-c3ccc(Cl)cc3F)s2)CCOCC1 ZINC000528688444 564800839 /nfs/dbraw/zinc/80/08/39/564800839.db2.gz KGFLCGSXUAIFEN-UHFFFAOYSA-N 1 0 385.852 2.627 20 0 GFADRO O=C(Nc1ccc2nccnc2c1Br)N[C@H]1CC[NH2+]C12CCC2 ZINC000528689080 564800889 /nfs/dbraw/zinc/80/08/89/564800889.db2.gz HSQAFXCBWBAXKK-LBPRGKRZSA-N 1 0 376.258 2.798 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)C(=O)N1CCC[C@@H]1c1cccs1)c1cccs1 ZINC000555681109 564801157 /nfs/dbraw/zinc/80/11/57/564801157.db2.gz DYBVECIULRYUHJ-KGLIPLIRSA-N 1 0 377.535 2.892 20 0 GFADRO CN1CCN(C(=O)Nc2cccc3cccc(Br)c32)[C@H](C[NH3+])C1 ZINC000528704583 564801442 /nfs/dbraw/zinc/80/14/42/564801442.db2.gz JRULUAWSMALYSD-CYBMUJFWSA-N 1 0 377.286 2.709 20 0 GFADRO CC(C)[C@H]1C[NH2+]CCN1C(=O)Nc1ccc(I)cc1F ZINC000528697296 564801811 /nfs/dbraw/zinc/80/18/11/564801811.db2.gz MFNSJGZZKISQST-CYBMUJFWSA-N 1 0 391.228 2.892 20 0 GFADRO COCCCOc1ccc(Cl)cc1S(=O)(=O)NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000581428824 564802100 /nfs/dbraw/zinc/80/21/00/564802100.db2.gz GOWARRWHRSZUMN-ZFWWWQNUSA-N 1 0 390.933 2.551 20 0 GFADRO C[C@H](NC(=O)C(=O)N1CC[N@H+](C)CC[C@@H]1C)c1cc(F)c(Cl)cc1Cl ZINC000555695577 564802195 /nfs/dbraw/zinc/80/21/95/564802195.db2.gz GQDPHAIZZKNYHY-QWRGUYRKSA-N 1 0 390.286 2.862 20 0 GFADRO COCCCOc1ccc(Cl)cc1S(=O)(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000581428823 564802787 /nfs/dbraw/zinc/80/27/87/564802787.db2.gz GOWARRWHRSZUMN-UKRRQHHQSA-N 1 0 390.933 2.551 20 0 GFADRO COC(=O)c1cc(Br)cc(C(=O)NCCC[NH+]2CCCCC2)c1 ZINC000461754342 564804181 /nfs/dbraw/zinc/80/41/81/564804181.db2.gz IGTXPVUIAVHHPY-UHFFFAOYSA-N 1 0 383.286 2.842 20 0 GFADRO O=c1ccc([C@@H]2CCC[N@H+]2C[C@H](O)COc2ccc(Br)cc2)n[nH]1 ZINC000528787575 564804987 /nfs/dbraw/zinc/80/49/87/564804987.db2.gz AWOIRVKBEQSAAD-BBRMVZONSA-N 1 0 394.269 2.522 20 0 GFADRO C[C@@H](c1ccccc1Br)N(C)C(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000581546796 564807183 /nfs/dbraw/zinc/80/71/83/564807183.db2.gz ICYSEZWDSMUQII-QWHCGFSZSA-N 1 0 392.301 2.626 20 0 GFADRO CN(C)[C@@H](C[NH2+]C[C@H](O)COc1ccc(Br)cc1)c1ccco1 ZINC000555889227 564807501 /nfs/dbraw/zinc/80/75/01/564807501.db2.gz MMSOYXYMOWPPTC-HOCLYGCPSA-N 1 0 383.286 2.674 20 0 GFADRO O=C(N[C@H]1CCOC2(CCSCC2)C1)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000581557895 564808305 /nfs/dbraw/zinc/80/83/05/564808305.db2.gz YOVQTDQXWMMPKO-IRXDYDNUSA-N 1 0 384.611 2.765 20 0 GFADRO CN(Cc1ccc(Cl)s1)C(=O)CN1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000581598301 564809685 /nfs/dbraw/zinc/80/96/85/564809685.db2.gz APFRURCJMJCMNS-CRAIPNDOSA-N 1 0 385.961 2.578 20 0 GFADRO CC[N@@H+]1CCC[C@H](CNC(=O)c2cc(Br)cc(C(=O)OC)c2)C1 ZINC000462023859 564811701 /nfs/dbraw/zinc/81/17/01/564811701.db2.gz ATSFXICKZWQIQJ-GFCCVEGCSA-N 1 0 383.286 2.697 20 0 GFADRO CC[N@@H+]1CCC[C@@H](CNC(=O)c2cc(Br)cc(C(=O)OC)c2)C1 ZINC000462023861 564811876 /nfs/dbraw/zinc/81/18/76/564811876.db2.gz ATSFXICKZWQIQJ-LBPRGKRZSA-N 1 0 383.286 2.697 20 0 GFADRO C[N@@H+]1CC[C@@H]2CCN(S(=O)(=O)c3cccc(Cl)c3Br)[C@@H]2C1 ZINC000493881065 564811989 /nfs/dbraw/zinc/81/19/89/564811989.db2.gz CIMVYNBOWRCHCN-ZYHUDNBSSA-N 1 0 393.734 2.817 20 0 GFADRO CC(C)CN(Cc1ccccc1Br)C(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000493921588 564814113 /nfs/dbraw/zinc/81/41/13/564814113.db2.gz YQOICUMIOQAAJN-GOSISDBHSA-N 1 0 394.357 2.824 20 0 GFADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@@H](c1ccccc1)N(C)C ZINC000556234208 564815260 /nfs/dbraw/zinc/81/52/60/564815260.db2.gz WEKOKTNZRFEENH-PBHICJAKSA-N 1 0 378.314 2.892 20 0 GFADRO [NH3+][C@H]1CCC[C@H](CNC(=O)Cc2csc(NC(=O)c3cccs3)n2)C1 ZINC000581823646 564818801 /nfs/dbraw/zinc/81/88/01/564818801.db2.gz UAOBAWBGRIYHIR-RYUDHWBXSA-N 1 0 378.523 2.633 20 0 GFADRO CN(C(=O)c1ccn(-c2ccc(Br)cc2)n1)[C@H]1CCC[N@H+](C)C1 ZINC000556340652 564819682 /nfs/dbraw/zinc/81/96/82/564819682.db2.gz NPVBKKWPQWBBKG-HNNXBMFYSA-N 1 0 377.286 2.801 20 0 GFADRO COc1ccc(Br)c(CN(C)C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000581874498 564821107 /nfs/dbraw/zinc/82/11/07/564821107.db2.gz XUODXXYFQTZOFW-UMVBOHGHSA-N 1 0 396.329 2.987 20 0 GFADRO CCCc1ccc(Cl)c(S(=O)(=O)NCCN2CCC([NH+](C)C)CC2)c1 ZINC000556374919 564821531 /nfs/dbraw/zinc/82/15/31/564821531.db2.gz IGUWNGHHXHDHLI-UHFFFAOYSA-N 1 0 387.977 2.597 20 0 GFADRO O=C(NCCCC[NH+]1CCOCC1)c1ccc(Br)c2c1OCCC2 ZINC000494283697 564822288 /nfs/dbraw/zinc/82/22/88/564822288.db2.gz YAFSBKRBPSNENT-UHFFFAOYSA-N 1 0 397.313 2.616 20 0 GFADRO C[C@@H]1CN(C(=O)N[C@H](c2cncc(Br)c2)C2CC2)C[C@@]1(C)C[NH3+] ZINC000581933332 564823984 /nfs/dbraw/zinc/82/39/84/564823984.db2.gz LUUVIMHHVNDSHU-XQAQDONZSA-N 1 0 381.318 2.922 20 0 GFADRO CC[NH2+]CCCNC(=O)N1CCO[C@H](c2ccc(F)c(Br)c2)C1 ZINC000581992980 564825587 /nfs/dbraw/zinc/82/55/87/564825587.db2.gz QYJJOBUDCIIILC-HNNXBMFYSA-N 1 0 388.281 2.671 20 0 GFADRO CC[NH+](CC)[C@H]1CCN(C(=O)c2cc(Br)cc(C(=O)OC)c2)C1 ZINC000462200862 564826613 /nfs/dbraw/zinc/82/66/13/564826613.db2.gz HOUOWTWSODLEIH-HNNXBMFYSA-N 1 0 383.286 2.792 20 0 GFADRO O=C(NC[C@H]1COCC[NH2+]1)N[C@@H](c1ccc(Br)cc1)C1CCC1 ZINC000529308265 564829402 /nfs/dbraw/zinc/82/94/02/564829402.db2.gz DNEFHCIXGKOYBQ-JKSUJKDBSA-N 1 0 382.302 2.578 20 0 GFADRO O=C(NCc1ccc(Br)c(F)c1F)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000529340014 564830089 /nfs/dbraw/zinc/83/00/89/564830089.db2.gz GYFYYIZRNHCVFC-ADEWGFFLSA-N 1 0 388.256 2.915 20 0 GFADRO C[C@@H](NC(=O)NCc1ccc(Br)c(F)c1F)[C@@H]1CCC[NH2+]C1 ZINC000529332572 564830603 /nfs/dbraw/zinc/83/06/03/564830603.db2.gz NRLXQZVTSGIVMT-NXEZZACHSA-N 1 0 376.245 2.915 20 0 GFADRO CC[NH+]1CCC(NC(=O)CN2CCc3c(Br)cc(C)cc3C2)CC1 ZINC000494476649 564831750 /nfs/dbraw/zinc/83/17/50/564831750.db2.gz QJVPHSIXODYANS-UHFFFAOYSA-N 1 0 394.357 2.716 20 0 GFADRO C[C@@H]([NH3+])C1CCN(C(=O)NCc2ccc(Br)c(F)c2F)CC1 ZINC000529367929 564831831 /nfs/dbraw/zinc/83/18/31/564831831.db2.gz ASNYNTAJEGWTKI-SECBINFHSA-N 1 0 376.245 2.996 20 0 GFADRO C[C@H]1CCN(C(=O)NCc2ccc(Br)c(F)c2F)C[C@@H]1C[NH3+] ZINC000529370020 564831954 /nfs/dbraw/zinc/83/19/54/564831954.db2.gz LXOBNLXXEOKAHZ-ONGXEEELSA-N 1 0 376.245 2.854 20 0 GFADRO O=C(NCc1cc(F)c(Br)cc1F)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000529370004 564832052 /nfs/dbraw/zinc/83/20/52/564832052.db2.gz LRIZYUBCZNOJKR-PHIMTYICSA-N 1 0 388.256 2.868 20 0 GFADRO CCC[C@H](C)[C@H](CO)[NH2+]CCS(=O)(=O)c1ccc(Br)cc1 ZINC000582125118 564832058 /nfs/dbraw/zinc/83/20/58/564832058.db2.gz HGYWGNBGRFZMDW-WFASDCNBSA-N 1 0 378.332 2.610 20 0 GFADRO [NH3+]CC[C@@H]1CCCN(C(=O)NCc2cc(F)c(Br)cc2F)C1 ZINC000529371470 564832373 /nfs/dbraw/zinc/83/23/73/564832373.db2.gz YHSPLSMGTZJYFR-JTQLQIEISA-N 1 0 376.245 2.998 20 0 GFADRO C[C@H](C(=O)Nc1ccc(F)cc1F)N(C)CCn1cc(Br)cn1 ZINC000582145848 564832492 /nfs/dbraw/zinc/83/24/92/564832492.db2.gz XFPBYVALDZMLMW-SNVBAGLBSA-N 1 0 387.228 2.883 20 0 GFADRO C[NH+](C)C[C@@H](NC(=O)N1CCNC[C@@](C)(F)C1)c1ccc(Cl)c(Cl)c1 ZINC000529387971 564833280 /nfs/dbraw/zinc/83/32/80/564833280.db2.gz RDYXOQPQPZOFDL-NVXWUHKLSA-N 1 0 391.318 2.939 20 0 GFADRO Cc1c(Br)cccc1C[C@@H](CO)CNC(=O)C12CCC[NH+]1CCC2 ZINC000582165869 564833326 /nfs/dbraw/zinc/83/33/26/564833326.db2.gz RLBDIXSXTPXWIG-OAHLLOKOSA-N 1 0 395.341 2.653 20 0 GFADRO O=C(Nc1cccc(C[N@H+]2CC[C@@H](O)C2)c1)c1cc(O)cc(Br)c1 ZINC000529412783 564834004 /nfs/dbraw/zinc/83/40/04/564834004.db2.gz UDYCDMBMUKVMMQ-MRXNPFEDSA-N 1 0 391.265 2.974 20 0 GFADRO C[C@@H]1[C@H]([N@H+](C)CCO)CCN1C(=O)[C@@H]1C[C@H]1c1csc(Br)c1 ZINC000529418379 564835302 /nfs/dbraw/zinc/83/53/02/564835302.db2.gz YVLXPFZNHDZLEJ-YXCITZCRSA-N 1 0 387.343 2.528 20 0 GFADRO Cc1cc(Br)cc2c1[C@H]([NH2+][C@H]1CCN(c3cnn(C)c3)C1=O)CC2 ZINC000494641131 564836426 /nfs/dbraw/zinc/83/64/26/564836426.db2.gz DNUBRPRXAPTBPA-CVEARBPZSA-N 1 0 389.297 2.873 20 0 GFADRO CC(C)c1cc(NCC(=O)Nc2ccc(Br)cc2)nc(N(C)C)[nH+]1 ZINC000462384855 564836386 /nfs/dbraw/zinc/83/63/86/564836386.db2.gz SBJACSFRAQBOES-UHFFFAOYSA-N 1 0 392.301 3.479 20 0 GFADRO CC[NH+]1CCC(CCNS(=O)(=O)c2ccc(Br)c(F)c2)CC1 ZINC000462402100 564837380 /nfs/dbraw/zinc/83/73/80/564837380.db2.gz TZMSFJPBWHSIPF-UHFFFAOYSA-N 1 0 393.322 2.989 20 0 GFADRO OC[C@H]([NH2+]C[C@@H](O)COc1ccc(Br)cc1)c1ccc(F)cc1 ZINC000582260690 564838193 /nfs/dbraw/zinc/83/81/93/564838193.db2.gz IYIBGHHKCAESCF-WBVHZDCISA-N 1 0 384.245 2.651 20 0 GFADRO C[C@H](NC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1)c1ncc(Br)cn1 ZINC000556756633 564838262 /nfs/dbraw/zinc/83/82/62/564838262.db2.gz IQLJLISZJPDSFN-DZGCQCFKSA-N 1 0 396.333 2.960 20 0 GFADRO CC(C)[C@@H](NC(=O)c1ccccc1Br)C(=O)N[C@@H](C)CCCC[NH3+] ZINC000494718280 564838282 /nfs/dbraw/zinc/83/82/82/564838282.db2.gz IAXQHVMRLFOYNZ-XJKSGUPXSA-N 1 0 398.345 2.837 20 0 GFADRO O=C(NCCc1ccc(F)c(Br)c1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000582290087 564838675 /nfs/dbraw/zinc/83/86/75/564838675.db2.gz HFSRZWLKSRZDHA-KRWDZBQOSA-N 1 0 384.293 2.916 20 0 GFADRO Cc1cc(Br)cc(C)c1S(=O)(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000462422305 564839259 /nfs/dbraw/zinc/83/92/59/564839259.db2.gz NEXYTXBZMDZLMY-CYBMUJFWSA-N 1 0 387.343 2.829 20 0 GFADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000462440104 564839913 /nfs/dbraw/zinc/83/99/13/564839913.db2.gz JHJPXASYEMXJMF-CHWSQXEVSA-N 1 0 388.917 2.525 20 0 GFADRO C[C@@H](C(=O)N(C)CCC[N@H+](C)CCN(C)C)c1cccc(Br)c1 ZINC000462459979 564841658 /nfs/dbraw/zinc/84/16/58/564841658.db2.gz PICBPEZYQBLJQU-OAHLLOKOSA-N 1 0 384.362 2.895 20 0 GFADRO O=S(=O)(c1cccc(Cl)c1Br)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000582360639 564842579 /nfs/dbraw/zinc/84/25/79/564842579.db2.gz XRVUASUOLZEBFP-AWEZNQCLSA-N 1 0 393.734 2.867 20 0 GFADRO O=C(NCCC[NH+]1CCCC1)NCc1cc(Br)cc2c1OCC2 ZINC000462503155 564844228 /nfs/dbraw/zinc/84/42/28/564844228.db2.gz JMKKYFWESAXKFG-UHFFFAOYSA-N 1 0 382.302 2.669 20 0 GFADRO CNC(=O)CCOC1CC[NH+](CCOc2ccc(Cl)cc2Cl)CC1 ZINC000494972181 564844665 /nfs/dbraw/zinc/84/46/65/564844665.db2.gz GEEUUPRGLDDIQG-UHFFFAOYSA-N 1 0 375.296 2.989 20 0 GFADRO O[C@H](C[NH2+]C[C@H]1CCN(CC(F)(F)F)C1)COCc1ccc(Cl)cc1 ZINC000582415258 564845338 /nfs/dbraw/zinc/84/53/38/564845338.db2.gz JNDJCHHFFWMHOM-GDBMZVCRSA-N 1 0 380.838 2.691 20 0 GFADRO Cc1ccc(Br)c(S(=O)(=O)NCC[NH2+][C@@H]2C[C@H](C)[C@@H]2C)c1 ZINC000494998868 564845761 /nfs/dbraw/zinc/84/57/61/564845761.db2.gz MUDDWNWWMTYMLS-SGMGOOAPSA-N 1 0 375.332 2.670 20 0 GFADRO O[C@@H](COc1ccc(Br)cc1)C[N@@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000495015111 564845895 /nfs/dbraw/zinc/84/58/95/564845895.db2.gz DZHFNVZUBOFSLP-DZGCQCFKSA-N 1 0 380.286 2.792 20 0 GFADRO CNC(=O)COc1cccc(C[NH2+][C@H](C)c2ccc(Br)cn2)c1 ZINC000556912592 564845988 /nfs/dbraw/zinc/84/59/88/564845988.db2.gz UBIMZVQRDGKSDD-GFCCVEGCSA-N 1 0 378.270 2.820 20 0 GFADRO CC[N@H+](C)CCNS(=O)(=O)c1ccc(Br)c(C(F)(F)F)c1 ZINC000462531272 564846510 /nfs/dbraw/zinc/84/65/10/564846510.db2.gz VJHGHGVXBMSDKC-UHFFFAOYSA-N 1 0 389.237 2.698 20 0 GFADRO C[C@@](O)(C[NH2+]C[C@@H](CO)Cc1ccc(OC(F)(F)F)cc1)C(F)(F)F ZINC000582421107 564846775 /nfs/dbraw/zinc/84/67/75/564846775.db2.gz WXROOGAKLZWPGD-WCQYABFASA-N 1 0 375.309 2.639 20 0 GFADRO COC(=O)c1cccc(NC(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1Br ZINC000495035665 564846868 /nfs/dbraw/zinc/84/68/68/564846868.db2.gz JSGQPNULJDYHGV-NEPJUHHUSA-N 1 0 396.285 2.984 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CC[NH2+][C@H]1CCC(=O)NC1(C)C ZINC000495055735 564848078 /nfs/dbraw/zinc/84/80/78/564848078.db2.gz AGHCHMQPZMTIQU-AWEZNQCLSA-N 1 0 382.302 2.733 20 0 GFADRO Cc1cccc2c1OC[C@@H]([NH2+][C@@H](C(N)=O)c1ccc(Br)cc1)C2 ZINC000582519458 564850205 /nfs/dbraw/zinc/85/02/05/564850205.db2.gz MEPFVAZDMWGINQ-JKSUJKDBSA-N 1 0 375.266 2.877 20 0 GFADRO Cc1cccc2c1OC[C@@H]([NH2+][C@H](C(N)=O)c1ccc(Br)cc1)C2 ZINC000582519456 564850373 /nfs/dbraw/zinc/85/03/73/564850373.db2.gz MEPFVAZDMWGINQ-HOTGVXAUSA-N 1 0 375.266 2.877 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)Nc2ccc(-c3ccc(Br)s3)nn2)C1 ZINC000582534487 564851408 /nfs/dbraw/zinc/85/14/08/564851408.db2.gz BGBJOLUNRVKYSY-ZJUUUORDSA-N 1 0 396.314 3.169 20 0 GFADRO C[C@@H]1COCC[N@@H+]1C1CCN(CC(=O)Nc2ccccc2Br)CC1 ZINC000582584492 564852671 /nfs/dbraw/zinc/85/26/71/564852671.db2.gz NXSYJHCXHUTYBI-CQSZACIVSA-N 1 0 396.329 2.573 20 0 GFADRO CC[NH2+]CCCNC(=O)C(=O)Nc1ccc(C(F)(F)F)cc1Br ZINC000582594134 564853987 /nfs/dbraw/zinc/85/39/87/564853987.db2.gz YAFRKWNOJNQBRW-UHFFFAOYSA-N 1 0 396.207 2.522 20 0 GFADRO CS[C@@H]1CN(C(=O)CSc2ncnc3sc(C)c(C)c32)C[C@H]1[NH+](C)C ZINC000495606737 564855739 /nfs/dbraw/zinc/85/57/39/564855739.db2.gz KABAXROBMPBCNX-CHWSQXEVSA-N 1 0 396.607 2.904 20 0 GFADRO CC1([NH+]2CCOCC2)CCN(C(=O)c2ccc(Br)cc2F)CC1 ZINC000529912457 564855837 /nfs/dbraw/zinc/85/58/37/564855837.db2.gz OSEGZJQLASVPLL-UHFFFAOYSA-N 1 0 385.277 2.915 20 0 GFADRO COc1ccc(Br)cc1C(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000529914126 564856858 /nfs/dbraw/zinc/85/68/58/564856858.db2.gz PIWJNWUPGMBPMH-UHFFFAOYSA-N 1 0 397.313 2.785 20 0 GFADRO CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000557186037 564857599 /nfs/dbraw/zinc/85/75/99/564857599.db2.gz HJXYTEYUGCOFAR-FAYQHZLMSA-N 1 0 396.329 2.776 20 0 GFADRO CC(C)(COc1ncc(Cl)cc1Cl)NC(=O)NCC1CC[NH2+]CC1 ZINC000557207972 564857855 /nfs/dbraw/zinc/85/78/55/564857855.db2.gz KEQZDPFTUOEQIY-UHFFFAOYSA-N 1 0 375.300 2.845 20 0 GFADRO O=C(NC[C@@H]1C[NH2+]CCCO1)N1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000557241159 564858255 /nfs/dbraw/zinc/85/82/55/564858255.db2.gz SUHCABSCLKQNHC-KBPBESRZSA-N 1 0 388.295 2.535 20 0 GFADRO O=C(CCNC(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1)Nc1cc(Cl)cc(Cl)c1 ZINC000557231463 564858474 /nfs/dbraw/zinc/85/84/74/564858474.db2.gz JKCBUKJLGCTQDS-VXGBXAGGSA-N 1 0 385.295 2.573 20 0 GFADRO CC(C)[N@@H+]1CC[C@H](CNC(=O)C2(c3cccc(Br)c3)CC(=O)C2)C1 ZINC000582754512 564859890 /nfs/dbraw/zinc/85/98/90/564859890.db2.gz TUMBIHWNGKRANL-CQSZACIVSA-N 1 0 393.325 2.896 20 0 GFADRO CCc1sc(C(=O)NCCN2CCC([NH+](C)C)CC2)cc1Br ZINC000557360075 564861069 /nfs/dbraw/zinc/86/10/69/564861069.db2.gz MNXPJXYEWNFJIE-UHFFFAOYSA-N 1 0 388.375 2.829 20 0 GFADRO C[C@@H]([NH2+]CC1CCN(S(C)(=O)=O)CC1)c1sccc1Br ZINC000582801716 564862353 /nfs/dbraw/zinc/86/23/53/564862353.db2.gz DOCFZUSRIJNTSQ-SNVBAGLBSA-N 1 0 381.361 2.833 20 0 GFADRO CC[N@H+](C)C[C@@H](O)CSc1nnc(-c2cccs2)n1C[C@@H]1CCCO1 ZINC000582857271 564865208 /nfs/dbraw/zinc/86/52/08/564865208.db2.gz YVZWMRZOJHMQFS-KGLIPLIRSA-N 1 0 382.555 2.590 20 0 GFADRO Cc1cc(Br)c(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1Cl ZINC000557507691 564865560 /nfs/dbraw/zinc/86/55/60/564865560.db2.gz YUOABJJVGQVCLP-UHFFFAOYSA-N 1 0 390.753 2.976 20 0 GFADRO NC(=O)[C@@H](NC[C@H]1CC[N@@H+]1C1CCCC1)c1ccc(Br)cc1F ZINC000530135682 564865586 /nfs/dbraw/zinc/86/55/86/564865586.db2.gz REXITFRPWZYIND-CJNGLKHVSA-N 1 0 384.293 2.721 20 0 GFADRO C[N@H+](CCC(=O)NCc1ccccc1Cl)CC(=O)NCc1cccs1 ZINC000497393224 564866266 /nfs/dbraw/zinc/86/62/66/564866266.db2.gz WUMUTIKYQKKQGY-UHFFFAOYSA-N 1 0 379.913 2.656 20 0 GFADRO CC[N@@H+]1CCN(C(=O)c2cc(=O)[nH]c3c(Br)cccc23)[C@@H](C)C1 ZINC000557527939 564866541 /nfs/dbraw/zinc/86/65/41/564866541.db2.gz YEYSLLXZROFSDR-NSHDSACASA-N 1 0 378.270 2.869 20 0 GFADRO C[C@H](CNC(=O)N1CC[C@@H]2CC[N@H+](C)C[C@@H]21)Oc1ccc(Br)cc1 ZINC000497491068 564869281 /nfs/dbraw/zinc/86/92/81/564869281.db2.gz FEXKPTMJZZULKF-KEYYUXOJSA-N 1 0 396.329 2.952 20 0 GFADRO C[C@@H]([NH2+]CCN1CCCOCC1)c1cc2c(cc1Br)OCCO2 ZINC000463153981 564870577 /nfs/dbraw/zinc/87/05/77/564870577.db2.gz XTNTUOHHNBWVAX-CYBMUJFWSA-N 1 0 385.302 2.593 20 0 GFADRO CC[NH+]1CCC(CNC(=O)C(=O)NCCc2c(Cl)cccc2Cl)CC1 ZINC000557696005 564873085 /nfs/dbraw/zinc/87/30/85/564873085.db2.gz VLESZFDTIQAQOF-UHFFFAOYSA-N 1 0 386.323 2.500 20 0 GFADRO C[C@@H](O)C[N@@H+]1CCN(C(=O)CCc2nc3cc(Cl)ccc3s2)[C@H](C)C1 ZINC000530290622 564874886 /nfs/dbraw/zinc/87/48/86/564874886.db2.gz DBABAPAADQLODL-CHWSQXEVSA-N 1 0 381.929 2.796 20 0 GFADRO CN(Cc1cccc(Br)c1OCC(C)(C)O)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC000530341812 564876804 /nfs/dbraw/zinc/87/68/04/564876804.db2.gz IEBAOXAFAVTSIH-CQSZACIVSA-N 1 0 399.329 2.509 20 0 GFADRO CC(C)N1CC[C@H]([NH2+][C@H](C)c2ccc(Br)cc2OCCCO)C1=O ZINC000463361393 564877551 /nfs/dbraw/zinc/87/75/51/564877551.db2.gz NOWFZCXVQQYZAW-CJNGLKHVSA-N 1 0 399.329 2.870 20 0 GFADRO O=S(=O)(Cc1ccccc1Br)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000557847453 564882015 /nfs/dbraw/zinc/88/20/15/564882015.db2.gz MLCHOLURTAHOLT-HNNXBMFYSA-N 1 0 387.343 2.885 20 0 GFADRO Cc1cc(Br)cc(C(=O)N2CCN(C3CC[NH+](C)CC3)[C@H](C)C2)c1 ZINC000463592344 564885507 /nfs/dbraw/zinc/88/55/07/564885507.db2.gz RSNYYKHLBNQGLJ-OAHLLOKOSA-N 1 0 394.357 2.998 20 0 GFADRO O=C([C@@H]1CCN(c2cc(Cl)ccc2Cl)C1=O)N1CCC2(CC[NH2+]2)CC1 ZINC000583375665 564888022 /nfs/dbraw/zinc/88/80/22/564888022.db2.gz MGEMUGBVFUMJLP-ZDUSSCGKSA-N 1 0 382.291 2.701 20 0 GFADRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)Cc1ccc(I)cc1 ZINC000558010935 564888170 /nfs/dbraw/zinc/88/81/70/564888170.db2.gz ADWJFVUQIRSWLB-BBRMVZONSA-N 1 0 398.288 2.919 20 0 GFADRO C[NH+](C)[C@@H]1CCN(C(=O)c2c(Cl)cccc2I)C1 ZINC000463769065 564889732 /nfs/dbraw/zinc/88/97/32/564889732.db2.gz MVEGYZAQHXRQQB-SECBINFHSA-N 1 0 378.641 2.721 20 0 GFADRO CN(CCC(=O)N[C@H](CO)c1ccc(Br)c(F)c1)c1cc[nH+]cc1 ZINC000558045872 564890007 /nfs/dbraw/zinc/89/00/07/564890007.db2.gz NWHLFVJNVAIQEZ-MRXNPFEDSA-N 1 0 396.260 2.659 20 0 GFADRO C[C@@H](CC[NH+](C)C)NC(=O)[C@@H](c1ccc(Cl)cc1Cl)N1CCOCC1 ZINC000463813487 564890868 /nfs/dbraw/zinc/89/08/68/564890868.db2.gz ASRJGFSNIWOHQB-SUMWQHHRSA-N 1 0 388.339 2.823 20 0 GFADRO CN(CCn1cc(Br)cn1)C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000558067482 564891083 /nfs/dbraw/zinc/89/10/83/564891083.db2.gz ZYBZNJSSMRFCRP-UHFFFAOYSA-N 1 0 386.338 2.552 20 0 GFADRO [NH3+][C@@H]1CCC[C@H]2CN(Cc3nc(Cc4cccc(Br)c4)no3)C[C@H]21 ZINC000583441301 564892212 /nfs/dbraw/zinc/89/22/12/564892212.db2.gz VRTFLWWISANQDP-NUEKZKHPSA-N 1 0 391.313 2.982 20 0 GFADRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)COc1cc(Cl)cc(Cl)c1 ZINC000463864800 564892972 /nfs/dbraw/zinc/89/29/72/564892972.db2.gz JUYQIYNUSAEAAL-OAHLLOKOSA-N 1 0 375.296 2.941 20 0 GFADRO COc1cc(Br)c(C[NH2+][C@@H]2CCC[C@H]3CN(C(C)=O)C[C@H]32)cc1O ZINC000583468104 564893227 /nfs/dbraw/zinc/89/32/27/564893227.db2.gz HIPTWKFNDUXENL-JGGQBBKZSA-N 1 0 397.313 2.900 20 0 GFADRO C[NH+](C)[C@@]1(CNC(=O)Nc2nc(CN3CCCCC3)cs2)CCSC1 ZINC000530777320 564894059 /nfs/dbraw/zinc/89/40/59/564894059.db2.gz KYKWWRCBHKGUCD-QGZVFWFLSA-N 1 0 383.587 2.688 20 0 GFADRO C[C@H]1C[N@H+](C)CCN1c1ccc(Br)cc1NC(=O)c1ccnn1C ZINC000583484041 564894153 /nfs/dbraw/zinc/89/41/53/564894153.db2.gz DMXCENUKBFRNOL-LBPRGKRZSA-N 1 0 392.301 2.575 20 0 GFADRO CC(C)C[C@H](CNC(=O)c1cc(Br)c2c(c1)OCCO2)[NH+](C)C ZINC000498298436 564894610 /nfs/dbraw/zinc/89/46/10/564894610.db2.gz RWFFMDAFDYFVJZ-CYBMUJFWSA-N 1 0 385.302 2.926 20 0 GFADRO COCCC1(C)C[NH+](C[C@@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000558273596 564897368 /nfs/dbraw/zinc/89/73/68/564897368.db2.gz RAUXJHIXEIPPGP-CQSZACIVSA-N 1 0 376.266 2.686 20 0 GFADRO COc1cc(NC(=O)NCCCC[NH+]2CCN(C)CC2)ccc1Br ZINC000531079787 564900551 /nfs/dbraw/zinc/90/05/51/564900551.db2.gz JSGWWEKUGXJHTB-UHFFFAOYSA-N 1 0 399.333 2.607 20 0 GFADRO CC[N@@H+]1C[C@H](C)N(C(=O)[C@@H](C)NC(=O)c2ccc(Br)cc2)C[C@@H]1C ZINC000498552561 564901521 /nfs/dbraw/zinc/90/15/21/564901521.db2.gz AESYQUWRNCNCCZ-MELADBBJSA-N 1 0 396.329 2.509 20 0 GFADRO CC[N@@H+]1C[C@@H](C)N(C(=O)c2ccc(F)cc2I)C[C@H]1C ZINC000498555558 564901937 /nfs/dbraw/zinc/90/19/37/564901937.db2.gz ASXQUXAUBXFJAE-GHMZBOCLSA-N 1 0 390.240 2.985 20 0 GFADRO CSC1(CNS(=O)(=O)Cc2ccc(F)c(Cl)c2)CC[NH+](C)CC1 ZINC000558484040 564903353 /nfs/dbraw/zinc/90/33/53/564903353.db2.gz QVULKVLHLWVSFX-UHFFFAOYSA-N 1 0 380.938 2.726 20 0 GFADRO C[C@H]1C[C@@H](NC(=O)c2ccc(-n3cc(Br)cn3)cc2)C[N@@H+]1C1CC1 ZINC000531244105 564904253 /nfs/dbraw/zinc/90/42/53/564904253.db2.gz CFJRHWAUGMWVHS-SWLSCSKDSA-N 1 0 389.297 2.990 20 0 GFADRO CN(C)c1cc(Cl)cc(Cl)c1CNCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000558490851 564904358 /nfs/dbraw/zinc/90/43/58/564904358.db2.gz JNCYABJKZHKWRP-ZDUSSCGKSA-N 1 0 387.355 2.736 20 0 GFADRO C[NH+](C)C1(CNS(=O)(=O)c2ccc(OC(F)F)c(F)c2)CCCCC1 ZINC000583733199 564905469 /nfs/dbraw/zinc/90/54/69/564905469.db2.gz YMMKHFNVVPYKSV-UHFFFAOYSA-N 1 0 380.432 2.970 20 0 GFADRO CC(C)(O)C[N@H+](C[C@H](O)COc1ccc(Cl)cc1Cl)C1CCOCC1 ZINC000531416159 564909359 /nfs/dbraw/zinc/90/93/59/564909359.db2.gz NNPOFVXZCCVUQX-HNNXBMFYSA-N 1 0 392.323 2.985 20 0 GFADRO CC(C)[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000583871679 564910909 /nfs/dbraw/zinc/91/09/09/564910909.db2.gz WGSXOYIONHIXMR-DVOMOZLQSA-N 1 0 383.945 2.614 20 0 GFADRO CC[C@H]([NH2+]CCNS(=O)(=O)c1ccc(F)cc1Cl)C1CCOCC1 ZINC000558694856 564911789 /nfs/dbraw/zinc/91/17/89/564911789.db2.gz DWGOXNPGZXKMTM-HNNXBMFYSA-N 1 0 378.897 2.552 20 0 GFADRO O=S(=O)(c1cc(F)ccc1Br)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000583934740 564913831 /nfs/dbraw/zinc/91/38/31/564913831.db2.gz SUQUXKIKXHMYPX-VXGBXAGGSA-N 1 0 391.306 2.598 20 0 GFADRO C[C@H]1CCC[N@H+](CC(=O)N(C)Cc2cc(Br)cs2)[C@H]1CO ZINC000498958804 564914386 /nfs/dbraw/zinc/91/43/86/564914386.db2.gz VMIGINUIXVWMEZ-FZMZJTMJSA-N 1 0 375.332 2.562 20 0 GFADRO CC[NH2+]CCCNC(=O)C(=O)Nc1cccc(Cl)c1SCC(F)F ZINC000583982449 564915277 /nfs/dbraw/zinc/91/52/77/564915277.db2.gz UWJIOBHFMORJGL-UHFFFAOYSA-N 1 0 379.860 2.752 20 0 GFADRO CC[C@H](NC(=O)NC[C@H](c1cccs1)[NH+]1CCCC1)[C@H](O)C(F)(F)F ZINC000499087960 564917440 /nfs/dbraw/zinc/91/74/40/564917440.db2.gz CFRQIHRHCAKCSZ-SCRDCRAPSA-N 1 0 379.448 2.886 20 0 GFADRO CCS[C@@H]1CC[C@@H]([N@H+](C)CC(=O)N2CCN(Cc3ccsc3)CC2)C1 ZINC000464779361 564918235 /nfs/dbraw/zinc/91/82/35/564918235.db2.gz YHQKOYBNOBHRNF-QZTJIDSGSA-N 1 0 381.611 2.998 20 0 GFADRO C[C@H](c1ccccc1)[C@@H](O)C[NH2+]C[C@@H](O)COc1ccccc1Br ZINC000584053191 564918918 /nfs/dbraw/zinc/91/89/18/564918918.db2.gz BMZLDNTXUFNFMK-KYJSFNMBSA-N 1 0 394.309 2.943 20 0 GFADRO CSc1ccc([C@@H](CNc2cnn(C)c(=O)c2Br)[NH+](C)C)cc1 ZINC000559002157 564920359 /nfs/dbraw/zinc/92/03/59/564920359.db2.gz LTXFNCDWAJZLSX-CQSZACIVSA-N 1 0 397.342 2.980 20 0 GFADRO CC1CC[NH+]([C@H](CNS(=O)(=O)CC[C@H]2CCOC2)c2cccs2)CC1 ZINC000559024590 564920490 /nfs/dbraw/zinc/92/04/90/564920490.db2.gz NQELHUDOQHOEKL-IAGOWNOFSA-N 1 0 386.583 2.867 20 0 GFADRO O=C(Nc1cccc(Br)c1Cl)C(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000559014025 564920638 /nfs/dbraw/zinc/92/06/38/564920638.db2.gz DCYPNXGWYCVIBW-LLVKDONJSA-N 1 0 398.688 2.514 20 0 GFADRO Cn1ccnc1Sc1ncc(C(=O)N2CCC[C@H]2C[NH+](C)C)cc1Cl ZINC000464929967 564920767 /nfs/dbraw/zinc/92/07/67/564920767.db2.gz DDOVYCUNYMMBRM-ZDUSSCGKSA-N 1 0 379.917 2.786 20 0 GFADRO CCc1nn(C)c(CC)c1CNC(=O)[C@](C)([NH3+])c1ccc(Br)cc1 ZINC000584111854 564921755 /nfs/dbraw/zinc/92/17/55/564921755.db2.gz YJIMRRIXNGZVKH-GOSISDBHSA-N 1 0 393.329 2.798 20 0 GFADRO CS[C@@H]1CN(C(=O)Cc2ccc(Br)cc2O)C[C@@H]1[NH+]1CCCC1 ZINC000499399216 564926486 /nfs/dbraw/zinc/92/64/86/564926486.db2.gz CZNDESDIJDEZMO-GOEBONIOSA-N 1 0 399.354 2.735 20 0 GFADRO C[C@H](CNC(=O)c1cc(Br)cnc1N(C)C)[N@@H+]1CCC[C@@H](C)C1 ZINC000499448044 564927954 /nfs/dbraw/zinc/92/79/54/564927954.db2.gz AEEDVKKNRBVFSC-CHWSQXEVSA-N 1 0 383.334 2.760 20 0 GFADRO CN1CC[NH+](CC2(C)CCN(C(=O)c3c(Cl)cncc3Cl)CC2)CC1 ZINC000499452713 564928001 /nfs/dbraw/zinc/92/80/01/564928001.db2.gz DNWYMOORFVCJDU-UHFFFAOYSA-N 1 0 385.339 2.878 20 0 GFADRO CC[NH+](CC)CC[C@@H](CO)NC(=O)Nc1cc(Br)c(F)cc1F ZINC000499481378 564928901 /nfs/dbraw/zinc/92/89/01/564928901.db2.gz XGOOXTQYZSFAHY-JTQLQIEISA-N 1 0 394.260 2.942 20 0 GFADRO CC[NH+](CC)[C@@H]1CCN(C(=O)NCc2cn3cc(Br)ccc3n2)C1 ZINC000465706045 564931487 /nfs/dbraw/zinc/93/14/87/564931487.db2.gz VGHNRHOSLRIUAW-OAHLLOKOSA-N 1 0 394.317 2.723 20 0 GFADRO CCOc1cccc(C[NH2+]CCNC(=O)c2cccc(Br)c2)n1 ZINC000532165834 564931602 /nfs/dbraw/zinc/93/16/02/564931602.db2.gz LTOLCZGMMYFXEP-UHFFFAOYSA-N 1 0 378.270 2.762 20 0 GFADRO O=C(c1ccn(-c2ccc(Br)cc2)n1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000559466911 564933874 /nfs/dbraw/zinc/93/38/74/564933874.db2.gz HZULXGVGHYHYRL-MRXNPFEDSA-N 1 0 389.297 2.945 20 0 GFADRO OC[C@@]1([C@@H]([NH2+]CCOc2cc(F)cc(Br)c2)C2CC2)CCCO1 ZINC000559465876 564933888 /nfs/dbraw/zinc/93/38/88/564933888.db2.gz CZQKOBUZHXVOQM-DLBZAZTESA-N 1 0 388.277 2.877 20 0 GFADRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1cc(=O)c2cc(Br)ccc2[nH]1 ZINC000532333983 564934770 /nfs/dbraw/zinc/93/47/70/564934770.db2.gz NFWGSTHGFAHZGO-QFYYESIMSA-N 1 0 390.281 2.503 20 0 GFADRO O[C@@H](C[NH2+]Cc1ccc2c(c1)OCCO2)COc1cccc(Br)c1 ZINC000559595288 564936615 /nfs/dbraw/zinc/93/66/15/564936615.db2.gz WURMBQSQCMSXKX-HNNXBMFYSA-N 1 0 394.265 2.750 20 0 GFADRO C[N@@H+]1CCCC[C@H]1CCN1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 ZINC000532469014 564939393 /nfs/dbraw/zinc/93/93/93/564939393.db2.gz PHGAGJQGLBTKIW-KRWDZBQOSA-N 1 0 385.961 2.521 20 0 GFADRO CS(=O)(=O)CC1CCC([NH2+]CCOc2ccc(C(F)(F)F)cn2)CC1 ZINC000559790477 564940574 /nfs/dbraw/zinc/94/05/74/564940574.db2.gz XLXMMSUEXYVXEF-UHFFFAOYSA-N 1 0 380.432 2.672 20 0 GFADRO CSc1ccc([C@H](C)[NH2+]Cc2cnn([C@@]3(C)CCS(=O)(=O)C3)c2)cc1 ZINC000466415465 564940711 /nfs/dbraw/zinc/94/07/11/564940711.db2.gz GNBWUKIVERXYHS-KSSFIOAISA-N 1 0 379.551 2.990 20 0 GFADRO O=C(NCCC[NH+]1CCCC1)C1(c2ccc(I)cc2)CC1 ZINC000499952228 564941753 /nfs/dbraw/zinc/94/17/53/564941753.db2.gz ISWIHWVWIRFBBU-UHFFFAOYSA-N 1 0 398.288 2.925 20 0 GFADRO CCCc1ccc(Cl)c(S(=O)(=O)NC[C@@H](CC[NH+](C)C)OCC)c1 ZINC000560041480 564946216 /nfs/dbraw/zinc/94/62/16/564946216.db2.gz KMWCWMSSWHLSCJ-OAHLLOKOSA-N 1 0 376.950 2.928 20 0 GFADRO O=C(CC[N@@H+]1CCC[C@H](N2CCNC2=O)C1)Nc1c(Cl)cccc1Cl ZINC000533033623 564951686 /nfs/dbraw/zinc/95/16/86/564951686.db2.gz BSCSNYOTCPMAKW-LBPRGKRZSA-N 1 0 385.295 2.812 20 0 GFADRO COCC[C@@H]([NH2+]CCC(=O)N1CCOCC1)c1ccc(Cl)c(Cl)c1 ZINC000560185948 564952402 /nfs/dbraw/zinc/95/24/02/564952402.db2.gz WYNFGTRHKPFVEC-MRXNPFEDSA-N 1 0 375.296 2.910 20 0 GFADRO C[NH+](C)CCN(Cc1ccccn1)S(=O)(=O)c1cccc(Br)c1 ZINC000500426224 564952697 /nfs/dbraw/zinc/95/26/97/564952697.db2.gz NXIMNTXESQYECW-UHFFFAOYSA-N 1 0 398.326 2.597 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)c1cccc(F)c1I)C1CC1 ZINC000533085817 564953453 /nfs/dbraw/zinc/95/34/53/564953453.db2.gz NNFXYYYAPFCXTG-LBPRGKRZSA-N 1 0 376.213 2.500 20 0 GFADRO COC(=O)c1ccc(C[NH2+]C[C@H](O)COc2ccccc2)c(Br)c1 ZINC000560243369 564954002 /nfs/dbraw/zinc/95/40/02/564954002.db2.gz IROQWYHHRWELNT-HNNXBMFYSA-N 1 0 394.265 2.765 20 0 GFADRO COC(=O)c1ccc(C[NH2+][C@@H]2CCC[C@H](C(=O)N(C)C)C2)c(Br)c1 ZINC000560243358 564954230 /nfs/dbraw/zinc/95/42/30/564954230.db2.gz IJDCKYGVIVXOEA-SWLSCSKDSA-N 1 0 397.313 2.972 20 0 GFADRO CS(=O)(=O)NC[C@@H]1CCC[C@H]1[NH2+]Cc1c[nH]nc1-c1cccc(Cl)c1 ZINC000500465060 564954336 /nfs/dbraw/zinc/95/43/36/564954336.db2.gz UYFKQABFPAZGIB-XJKSGUPXSA-N 1 0 382.917 2.538 20 0 GFADRO CC(C)[NH+]1CCC(NC(=O)CN2CCOc3ccc(Br)cc32)CC1 ZINC000467131594 564957171 /nfs/dbraw/zinc/95/71/71/564957171.db2.gz YJQNZDBQCGMCGC-UHFFFAOYSA-N 1 0 396.329 2.637 20 0 GFADRO O=C(C[NH2+]Cc1cncc(Br)c1)N[C@H]1CCOc2ccccc21 ZINC000500540763 564957309 /nfs/dbraw/zinc/95/73/09/564957309.db2.gz ZIIWBTCRTGZEDX-HNNXBMFYSA-N 1 0 376.254 2.574 20 0 GFADRO CN1CC[C@@](O)(C[NH2+][C@H](c2cccc(Br)c2)C2CCOCC2)C1 ZINC000467401381 564962832 /nfs/dbraw/zinc/96/28/32/564962832.db2.gz ZDBIAHYALJRZDI-ZWKOTPCHSA-N 1 0 383.330 2.573 20 0 GFADRO CC[C@H](C(=O)N1CCN(Cc2cc(Br)ccc2F)CC1)[NH+](C)C ZINC000500825015 564963671 /nfs/dbraw/zinc/96/36/71/564963671.db2.gz ZAISDYLBQQTQGF-MRXNPFEDSA-N 1 0 386.309 2.573 20 0 GFADRO CNS(=O)(=O)CCC[NH2+]C1(c2ccc(Br)cc2)CCCC1 ZINC000533487217 564964279 /nfs/dbraw/zinc/96/42/79/564964279.db2.gz QFBFVUDTVZILIC-UHFFFAOYSA-N 1 0 375.332 2.747 20 0 GFADRO COCCNC(=O)[C@H](Cc1ccccc1)[NH2+]Cc1ccc(Br)s1 ZINC000533562610 564966309 /nfs/dbraw/zinc/96/63/09/564966309.db2.gz KLTSIUBMTHJTCZ-HNNXBMFYSA-N 1 0 397.338 2.974 20 0 GFADRO CCOc1c(Cl)cc(NC(=O)C(=O)NC[C@@H](C2CC2)[NH+](C)C)cc1Cl ZINC000467627503 564968929 /nfs/dbraw/zinc/96/89/29/564968929.db2.gz DNBNCPMOTYSOOG-AWEZNQCLSA-N 1 0 388.295 2.787 20 0 GFADRO CN(CCC[NH+]1CCCC1)C(=O)[C@@H]1CC(=O)Nc2ccc(Br)cc21 ZINC000467673873 564969504 /nfs/dbraw/zinc/96/95/04/564969504.db2.gz QKKSELWGXFSNNG-OAHLLOKOSA-N 1 0 394.313 2.819 20 0 GFADRO C[NH+]1CCC([C@@H]2CCN(C(=O)C(=O)c3ccc(Br)cc3)C2)CC1 ZINC000533695549 564969954 /nfs/dbraw/zinc/96/99/54/564969954.db2.gz UXNZHACZWWIOGO-OAHLLOKOSA-N 1 0 379.298 2.822 20 0 GFADRO O=C(Nc1ccc2cccc(Br)c2n1)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O ZINC000467716653 564970002 /nfs/dbraw/zinc/97/00/02/564970002.db2.gz XSTVXDQWRQFSQU-YHWZYXNKSA-N 1 0 388.265 2.751 20 0 GFADRO Cc1ccc(O[C@H](C)C(=O)NCCNc2cc[nH+]cc2)c(Br)c1 ZINC000533810943 564973501 /nfs/dbraw/zinc/97/35/01/564973501.db2.gz PVGGFFXSRPGQBB-CYBMUJFWSA-N 1 0 378.270 2.570 20 0 GFADRO CCN(C)S(=O)(=O)NC[C@@H](c1ccc(C(F)(F)F)cc1)[NH+](CC)CC ZINC000467799085 564973598 /nfs/dbraw/zinc/97/35/98/564973598.db2.gz OUBNDTAFWDPKBZ-HNNXBMFYSA-N 1 0 381.464 2.874 20 0 GFADRO O=C(CNC(=O)c1cc(F)c(Cl)cc1Cl)NCC[NH+]1CCCCCC1 ZINC000560771367 564975430 /nfs/dbraw/zinc/97/54/30/564975430.db2.gz RECLXEPWVOHOPT-UHFFFAOYSA-N 1 0 390.286 2.855 20 0 GFADRO CC[NH+]1CCN(CC(=O)NCC2(c3ccc(Br)cc3)CCC2)CC1 ZINC000467988468 564976697 /nfs/dbraw/zinc/97/66/97/564976697.db2.gz MZZLASKBUDTMKE-UHFFFAOYSA-N 1 0 394.357 2.625 20 0 GFADRO COCC[C@H](NC(=O)[C@@H]1C[N@@H+]2CCN1CCC2)c1ccc(Cl)c(Cl)c1 ZINC000560797011 564976784 /nfs/dbraw/zinc/97/67/84/564976784.db2.gz JCAQWYPVTFGZPC-IRXDYDNUSA-N 1 0 386.323 2.577 20 0 GFADRO C[N@@H+]1CCCC[C@H]1CCC(=O)NC[C@H](O)COc1ccccc1Br ZINC000501358893 564978195 /nfs/dbraw/zinc/97/81/95/564978195.db2.gz BNFCCAZEVCWPBW-GJZGRUSLSA-N 1 0 399.329 2.570 20 0 GFADRO Cc1cc(N2CCC[C@@H](NC(=O)C[N@@H+](C)C(C)C)C2=O)ccc1Br ZINC000468151294 564979151 /nfs/dbraw/zinc/97/91/51/564979151.db2.gz YWVLYOGAJBBLKH-MRXNPFEDSA-N 1 0 396.329 2.709 20 0 GFADRO CS(=O)(=O)N1CCC[C@H]([NH2+][C@H]2CCc3c2cc(Br)cc3F)C1 ZINC000560897586 564979437 /nfs/dbraw/zinc/97/94/37/564979437.db2.gz HHRQYGVCRDUQLM-NHYWBVRUSA-N 1 0 391.306 2.589 20 0 GFADRO O=C(NC[C@@H]1C[NH2+]CCCO1)Nc1ccc(C(F)(F)F)c(Br)c1 ZINC000561009735 564980961 /nfs/dbraw/zinc/98/09/61/564980961.db2.gz GUNYSKPAVPJKEY-JTQLQIEISA-N 1 0 396.207 2.968 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)NCc1ccc(S(C)(=O)=O)s1 ZINC000468423327 564983308 /nfs/dbraw/zinc/98/33/08/564983308.db2.gz LHXMBALVTZNTJK-CQSZACIVSA-N 1 0 387.571 2.605 20 0 GFADRO COC(=O)[C@@H](c1cccc(Br)c1)N(C)C(=O)C[NH+]1CCC(C)CC1 ZINC000501644399 564984033 /nfs/dbraw/zinc/98/40/33/564984033.db2.gz KLHJZWCIYRVJTG-QGZVFWFLSA-N 1 0 397.313 2.854 20 0 GFADRO COC(=O)C[C@H](NC(=O)C[N@@H+]1CC[C@H](C)C1)c1ccc(Br)cc1 ZINC000561112266 564984659 /nfs/dbraw/zinc/98/46/59/564984659.db2.gz BOTCGYSAKINDOR-WFASDCNBSA-N 1 0 383.286 2.511 20 0 GFADRO Cc1c(Br)ccnc1NC(=O)N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC000561138119 564985718 /nfs/dbraw/zinc/98/57/18/564985718.db2.gz QUWORSQESCSMPK-GFCCVEGCSA-N 1 0 397.317 2.870 20 0 GFADRO NC(=O)[C@@H]([NH2+]C1CCN(c2nccs2)CC1)c1ccc(Br)cc1 ZINC000502054620 564991111 /nfs/dbraw/zinc/99/11/11/564991111.db2.gz CVNIMRVKVCEDLO-AWEZNQCLSA-N 1 0 395.326 2.691 20 0 GFADRO Cc1cc(N2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)ncc1Br ZINC000534602753 564992741 /nfs/dbraw/zinc/99/27/41/564992741.db2.gz KONNEMJQMCWMSV-XYPWUTKMSA-N 1 0 379.346 2.900 20 0 GFADRO CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N[C@H](C)c2cccc(Cl)c2Cl)C1 ZINC000502289262 564995775 /nfs/dbraw/zinc/99/57/75/564995775.db2.gz KUAZZTOQNAXEJF-CHWSQXEVSA-N 1 0 386.323 2.971 20 0 GFADRO C[C@@H](CNS(=O)(=O)c1cc(Br)cc2cccnc21)[N@H+](C)C1CC1 ZINC000561506593 564997610 /nfs/dbraw/zinc/99/76/10/564997610.db2.gz ZWALFRSRWCKRDC-NSHDSACASA-N 1 0 398.326 2.758 20 0 GFADRO C[C@H](Cn1cc(Br)cn1)[NH2+]CC1(N(C)C)Cc2ccccc2C1 ZINC000468904468 564998483 /nfs/dbraw/zinc/99/84/83/564998483.db2.gz HWEOGWQWGLXDFM-CQSZACIVSA-N 1 0 377.330 2.723 20 0 GFADRO COc1cc(C[NH2+]C(C)(C)[C@@H](C)O)cc(I)c1OC ZINC000534970404 565000415 /nfs/dbraw/zinc/00/04/15/565000415.db2.gz BRGZDLUXJPUFNK-SECBINFHSA-N 1 0 379.238 2.557 20 0 GFADRO CC[N@H+](CCNC(=O)[C@H]1CC(=O)Nc2ccc(Br)cc21)C(C)C ZINC000469003382 565002643 /nfs/dbraw/zinc/00/26/43/565002643.db2.gz PMRPVAWVKGDSSE-AWEZNQCLSA-N 1 0 382.302 2.721 20 0 GFADRO CC[N@H+](CCO)CCNC(=O)Nc1ncc(Cc2cccc(Cl)c2)s1 ZINC000469055856 565003895 /nfs/dbraw/zinc/00/38/95/565003895.db2.gz SXWXIWKTDMLHJT-UHFFFAOYSA-N 1 0 382.917 2.823 20 0 GFADRO COc1ccc(NC(=O)C[C@@H](C)[NH2+]Cc2ccc(S(C)(=O)=O)s2)cc1 ZINC000469296913 565012571 /nfs/dbraw/zinc/01/25/71/565012571.db2.gz JNDGMJQGUZACKA-GFCCVEGCSA-N 1 0 382.507 2.667 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)C1(c2ccc(I)cc2)CC1 ZINC000503167233 565013010 /nfs/dbraw/zinc/01/30/10/565013010.db2.gz POJVIBOSEXHXIJ-CQSZACIVSA-N 1 0 396.272 2.676 20 0 GFADRO COC(=O)[C@]1(C)C[N@@H+]([C@@H](C)C(=O)Nc2ccc(Br)cc2)C[C@H]1C ZINC000503214767 565013541 /nfs/dbraw/zinc/01/35/41/565013541.db2.gz CIWUMIFXCBKRFQ-BWACUDIHSA-N 1 0 383.286 2.907 20 0 GFADRO C[C@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccc(S(C)(=O)=O)s1 ZINC000469340614 565013967 /nfs/dbraw/zinc/01/39/67/565013967.db2.gz YKFYPQXLFLRJPC-WMLDXEAASA-N 1 0 379.551 2.547 20 0 GFADRO COC(=O)[C@]1(C)C[N@@H+]([C@@H]2CCN(c3cccc(Br)c3)C2=O)C[C@H]1C ZINC000503244675 565016456 /nfs/dbraw/zinc/01/64/56/565016456.db2.gz QQGHUEFOSLFCKS-CDHAZOANSA-N 1 0 395.297 2.685 20 0 GFADRO Cc1cnn([C@@H]2CC[N@H+](C[C@@H](O)COc3ccc(Br)cc3)C2)c1 ZINC000562056771 565017342 /nfs/dbraw/zinc/01/73/42/565017342.db2.gz MDQWKHJKWBKURA-HZPDHXFCSA-N 1 0 380.286 2.641 20 0 GFADRO CC[C@@H](Cn1cncn1)[NH2+]C[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000562084376 565017694 /nfs/dbraw/zinc/01/76/94/565017694.db2.gz IOMBNRYRFAJNLZ-ZBFHGGJFSA-N 1 0 378.318 2.935 20 0 GFADRO CCC[NH+]1CCN(C(=O)C2(c3ccc(I)cc3)CC2)CC1 ZINC000503311309 565018040 /nfs/dbraw/zinc/01/80/40/565018040.db2.gz LVZNAAKTSARLJV-UHFFFAOYSA-N 1 0 398.288 2.877 20 0 GFADRO O=C(C[NH+]1CCC(c2ccc(Br)cc2)CC1)NC[C@@H]1CCCO1 ZINC000503369821 565018826 /nfs/dbraw/zinc/01/88/26/565018826.db2.gz PQIQNYAYXBLFOA-KRWDZBQOSA-N 1 0 381.314 2.924 20 0 GFADRO COC(C)(C)CC[N@@H+]1CCCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000469606158 565022347 /nfs/dbraw/zinc/02/23/47/565022347.db2.gz BFDCDJUFKVBRGK-UHFFFAOYSA-N 1 0 380.963 2.913 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CNC(=O)COc1ccc(Br)cc1C(C)=O ZINC000503673779 565025676 /nfs/dbraw/zinc/02/56/76/565025676.db2.gz BOFNMQSXXXJPHI-AWEZNQCLSA-N 1 0 383.286 2.631 20 0 GFADRO Cc1csc(C(=O)N[C@H]2CCC[N@H+](C)[C@@H]2C)c1I ZINC000469821465 565028903 /nfs/dbraw/zinc/02/89/03/565028903.db2.gz NWUNSVAWXOBPFT-ZJUUUORDSA-N 1 0 378.279 2.874 20 0 GFADRO CC(C)[C@@H]1CN(C(=O)[C@@H]2CC(=O)Nc3ccc(Br)cc32)CC[N@@H+]1C ZINC000469848939 565029213 /nfs/dbraw/zinc/02/92/13/565029213.db2.gz ASXJBJZDYRDNKQ-ZBFHGGJFSA-N 1 0 394.313 2.674 20 0 GFADRO O=C(CCn1cc(Cl)cn1)NC[C@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000469836351 565029677 /nfs/dbraw/zinc/02/96/77/565029677.db2.gz LDPHKQRPAUYLTG-KRWDZBQOSA-N 1 0 378.929 2.660 20 0 GFADRO CCn1cc(Br)cc1C(=O)N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000469913042 565031957 /nfs/dbraw/zinc/03/19/57/565031957.db2.gz CIARKTILSMZDFE-MRXNPFEDSA-N 1 0 398.345 2.988 20 0 GFADRO CC[C@H](CO)[NH+]1CCN(C(=O)CCOc2ccc(Cl)c(Cl)c2)CC1 ZINC000536224620 565032190 /nfs/dbraw/zinc/03/21/90/565032190.db2.gz GTDGIXVDIGBICT-CYBMUJFWSA-N 1 0 375.296 2.677 20 0 GFADRO COC(=O)c1ccc(S(=O)(=O)N(C)CC[NH+](C(C)C)C(C)C)c(Cl)c1 ZINC000503985458 565032964 /nfs/dbraw/zinc/03/29/64/565032964.db2.gz IHKDNLJPGVKIPR-UHFFFAOYSA-N 1 0 390.933 2.866 20 0 GFADRO O=C(NCC[NH2+][C@@H]1CCc2c1cc(Cl)cc2Br)c1cnccn1 ZINC000536303099 565034274 /nfs/dbraw/zinc/03/42/74/565034274.db2.gz VKHMYWQVWWMSEK-CQSZACIVSA-N 1 0 395.688 2.899 20 0 GFADRO COC(=O)[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccc(Br)c(C)c2)[C@@H]1C ZINC000469996650 565034958 /nfs/dbraw/zinc/03/49/58/565034958.db2.gz PPDCKUDCWYGJMU-MBNYWOFBSA-N 1 0 383.286 2.968 20 0 GFADRO CS[C@@H]1CN(C(=O)c2cnc(Cc3ccc(F)cc3)s2)C[C@H]1[NH+](C)C ZINC000536336772 565035458 /nfs/dbraw/zinc/03/54/58/565035458.db2.gz NZJHQYTZFHXLAZ-GDBMZVCRSA-N 1 0 379.526 2.991 20 0 GFADRO CC(C)c1cc(Br)ccc1NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000536367166 565036307 /nfs/dbraw/zinc/03/63/07/565036307.db2.gz QOUPOBSQIGHOEV-ZDUSSCGKSA-N 1 0 394.313 2.864 20 0 GFADRO O=C(Nc1ccc(OCC(F)(F)F)c(Cl)c1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000504277703 565037212 /nfs/dbraw/zinc/03/72/12/565037212.db2.gz XOYDWJNJJGYZSC-CYBMUJFWSA-N 1 0 377.794 2.610 20 0 GFADRO O=C(Cc1ccc(I)cc1)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000470162019 565039638 /nfs/dbraw/zinc/03/96/38/565039638.db2.gz BIHDJLKRECSAQR-INIZCTEOSA-N 1 0 398.288 2.967 20 0 GFADRO O=C(NCCn1cc(Br)ccc1=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000562744694 565041610 /nfs/dbraw/zinc/04/16/10/565041610.db2.gz YCXVVBDQGPUSNG-MRXNPFEDSA-N 1 0 396.329 2.524 20 0 GFADRO CN(C)c1ncc(Br)cc1C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000470312803 565042710 /nfs/dbraw/zinc/04/27/10/565042710.db2.gz HEWMQZBPJKHBBQ-UHFFFAOYSA-N 1 0 381.318 2.514 20 0 GFADRO CSCC[C@H](CO)[NH2+][C@H](C)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000536848397 565048188 /nfs/dbraw/zinc/04/81/88/565048188.db2.gz XCLHWKXMHYEDJQ-NVXWUHKLSA-N 1 0 386.583 2.626 20 0 GFADRO C[C@@H]1CSc2ccc(Br)cc2[C@@H]1NC(=O)CCOC1C[NH2+]C1 ZINC000562971638 565050176 /nfs/dbraw/zinc/05/01/76/565050176.db2.gz VVZXTGDTWPKSKU-QLJPJBMISA-N 1 0 385.327 2.727 20 0 GFADRO [NH3+][C@H]1CCC[C@H](CNC(=O)c2cc(F)ccc2I)C1 ZINC000562980002 565050735 /nfs/dbraw/zinc/05/07/35/565050735.db2.gz ZZTICQKIKSKWRP-ONGXEEELSA-N 1 0 376.213 2.678 20 0 GFADRO CC(C)OCC[C@H](O)C[NH2+]Cc1c(Br)cncc1Br ZINC000562998280 565051224 /nfs/dbraw/zinc/05/12/24/565051224.db2.gz FBBZTBKCSVEXRN-JTQLQIEISA-N 1 0 396.123 2.872 20 0 GFADRO CCC[N@H+](C)CC(=O)N[C@H](Cc1cc(Cl)cc(Cl)c1)C(=O)OCC ZINC000470650526 565052438 /nfs/dbraw/zinc/05/24/38/565052438.db2.gz SCYQIBTWJHBEKX-OAHLLOKOSA-N 1 0 375.296 2.926 20 0 GFADRO CN(C)C(=O)CC[NH+]1CCN(Cc2ccc(Cl)c(Br)c2)CC1 ZINC000537180562 565054524 /nfs/dbraw/zinc/05/45/24/565054524.db2.gz FUUGOCSUEQDPNR-UHFFFAOYSA-N 1 0 388.737 2.698 20 0 GFADRO O=S(=O)(c1ccc2ccccc2c1Br)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000563129161 565056531 /nfs/dbraw/zinc/05/65/31/565056531.db2.gz DAOKWZBWQSAGED-DZGCQCFKSA-N 1 0 395.322 2.975 20 0 GFADRO OC[C@@H](Cc1ccc(F)cc1)[NH2+]C[C@H](O)COc1cccc(Br)c1 ZINC000563138100 565056736 /nfs/dbraw/zinc/05/67/36/565056736.db2.gz NEHGBOCLTVMDGJ-SJORKVTESA-N 1 0 398.272 2.521 20 0 GFADRO COC(=O)[C@H](NC(=O)C[C@H]1CCCC[C@@H]1[NH3+])c1ccc(Br)cc1 ZINC000563152376 565057507 /nfs/dbraw/zinc/05/75/07/565057507.db2.gz QGBDUTMKWXUTSE-IVMMDQJWSA-N 1 0 383.286 2.687 20 0 GFADRO C[NH+](C)[C@@]1(CNC(=O)N[C@@H]2CCN(c3ccc(Cl)cc3)C2)CCSC1 ZINC000537371590 565057697 /nfs/dbraw/zinc/05/76/97/565057697.db2.gz KCFKDZWWBBOTIM-CRAIPNDOSA-N 1 0 382.961 2.655 20 0 GFADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)c3cccc(F)c3I)[C@@H]2C1 ZINC000537611879 565060227 /nfs/dbraw/zinc/06/02/27/565060227.db2.gz SUJZNFPCPXPYGS-ZWNOBZJWSA-N 1 0 388.224 2.597 20 0 GFADRO C[N@H+](CC1CC1)C[C@H]1CCN(S(=O)(=O)c2c[nH]c3nccc(Cl)c23)C1 ZINC000537654507 565060761 /nfs/dbraw/zinc/06/07/61/565060761.db2.gz QSTDUWGMHIZINP-CYBMUJFWSA-N 1 0 382.917 2.569 20 0 GFADRO COc1c(Cl)cc(Cl)cc1CN1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000537661845 565061219 /nfs/dbraw/zinc/06/12/19/565061219.db2.gz VVWMXXSJXNVRIR-INIZCTEOSA-N 1 0 386.323 2.740 20 0 GFADRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000537815000 565063448 /nfs/dbraw/zinc/06/34/48/565063448.db2.gz DZGWGNKKMXWIPG-BZPMIXESSA-N 1 0 384.307 2.897 20 0 GFADRO COc1cc(C[NH2+][C@]2(C)CCCOC2)cc(I)c1OC ZINC000537866194 565063927 /nfs/dbraw/zinc/06/39/27/565063927.db2.gz QBTDKGHVHFJMOQ-OAHLLOKOSA-N 1 0 391.249 2.967 20 0 GFADRO O=C(NCCSCC(F)(F)F)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000537876510 565064105 /nfs/dbraw/zinc/06/41/05/565064105.db2.gz UKYFFFBEHXAEMF-UHFFFAOYSA-N 1 0 376.448 2.893 20 0 GFADRO C[N@@H+]1CC[C@H](CC(=O)Nc2cc(Br)cc(C(=O)N3CCCC3)c2)C1 ZINC000635873458 565078535 /nfs/dbraw/zinc/07/85/35/565078535.db2.gz BLSOIMFSXPSBTQ-CYBMUJFWSA-N 1 0 394.313 2.965 20 0 GFADRO [NH3+][C@H](C(=O)NC1CCN(Cc2ccc(Br)cc2)CC1)C1CCC1 ZINC000584408842 565079152 /nfs/dbraw/zinc/07/91/52/565079152.db2.gz HLMBWACOMCFWAO-KRWDZBQOSA-N 1 0 380.330 2.657 20 0 GFADRO O[C@H](C[NH2+]C[C@@H]1COc2ccccc21)COc1ccc(Br)cc1 ZINC000584406648 565079337 /nfs/dbraw/zinc/07/93/37/565079337.db2.gz WVLPPZQVGMZUAA-UKRRQHHQSA-N 1 0 378.266 2.955 20 0 GFADRO C[S@](=O)c1cccc(C(=O)NCC2([NH+]3CCSCC3)CCCCC2)c1 ZINC000613774316 565080051 /nfs/dbraw/zinc/08/00/51/565080051.db2.gz FCVSCACHZWFUSZ-VWLOTQADSA-N 1 0 380.579 2.906 20 0 GFADRO Cc1c(F)c(Br)ccc1C(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000613790880 565080335 /nfs/dbraw/zinc/08/03/35/565080335.db2.gz UGCXCHOFSXFKHC-NSHDSACASA-N 1 0 387.293 2.814 20 0 GFADRO C[N@@H+]1CC[C@H](CC(=O)N(CCn2ccnc2)Cc2ccc(Br)o2)C1 ZINC000635916484 565081778 /nfs/dbraw/zinc/08/17/78/565081778.db2.gz LHJKDFUFYZSMTK-CQSZACIVSA-N 1 0 395.301 2.609 20 0 GFADRO C[N@@H+]1CCCC[C@H]1CCC(=O)NCC(=O)Nc1cccc(Br)c1 ZINC000584473600 565083196 /nfs/dbraw/zinc/08/31/96/565083196.db2.gz HWOYXNDRJFKOON-HNNXBMFYSA-N 1 0 382.302 2.768 20 0 GFADRO COC[C@@](C)(CC(=O)OC)[NH2+]CC1=Cc2cc(Br)ccc2OC1 ZINC000584497963 565083860 /nfs/dbraw/zinc/08/38/60/565083860.db2.gz SNLVSNUZZBBSKE-QGZVFWFLSA-N 1 0 384.270 2.783 20 0 GFADRO CC(C)(CNC(=O)c1cc(Br)cc2[nH]c(=O)[nH]c21)C[NH+]1CCCC1 ZINC000613950218 565086456 /nfs/dbraw/zinc/08/64/56/565086456.db2.gz RBNIGJKDVYIKNG-UHFFFAOYSA-N 1 0 395.301 2.883 20 0 GFADRO C[C@H](NC(=O)Nc1ccc2c(c1)C[NH2+]CCO2)c1ncc(Br)cn1 ZINC000584579292 565089461 /nfs/dbraw/zinc/08/94/61/565089461.db2.gz ZXOVUPGYICXTIK-JTQLQIEISA-N 1 0 392.257 2.604 20 0 GFADRO CO[C@@H]1C[C@H]([NH2+]Cc2cc(=O)n3cc(Br)ccc3n2)C12CCC2 ZINC000657233440 565091953 /nfs/dbraw/zinc/09/19/53/565091953.db2.gz IYMQFZBNNMFEOG-UONOGXRCSA-N 1 0 378.270 2.504 20 0 GFADRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2S(=O)(=O)c2cccc3c(Cl)ccnc32)C1 ZINC000584702551 565091991 /nfs/dbraw/zinc/09/19/91/565091991.db2.gz UUQCCUYOPJYBQL-CZUORRHYSA-N 1 0 379.913 2.993 20 0 GFADRO Cc1nc(C)c(S(=O)(=O)N2CC[C@H]([N@H+](C)CCc3ccccc3)C2)s1 ZINC000584731783 565094564 /nfs/dbraw/zinc/09/45/64/565094564.db2.gz JFTFGVKBVGWNNW-KRWDZBQOSA-N 1 0 379.551 2.697 20 0 GFADRO [NH3+]CC12CCC(CC1)CN2C(=O)c1cnn(-c2cccc(Br)c2)c1 ZINC000584788879 565097104 /nfs/dbraw/zinc/09/71/04/565097104.db2.gz OUDLQJMUKUEUSF-UHFFFAOYSA-N 1 0 389.297 2.978 20 0 GFADRO Fc1cccc(C[NH2+]C[C@@]2(N3CCOCC3)CCSC2)c1OC(F)F ZINC000657325119 565097504 /nfs/dbraw/zinc/09/75/04/565097504.db2.gz BGBAKAWUPWYDRX-KRWDZBQOSA-N 1 0 376.444 2.725 20 0 GFADRO OC[C@@H](C[NH2+]Cc1cn(C2CCC2)nn1)Cc1cccc(Br)c1 ZINC000657448874 565101053 /nfs/dbraw/zinc/10/10/53/565101053.db2.gz NMGZUXQLFLRZOV-CQSZACIVSA-N 1 0 379.302 2.706 20 0 GFADRO Cc1cc(N2CC[C@H]([NH2+]Cc3cnc4n3CCC4)C2=O)ccc1Br ZINC000657434707 565101495 /nfs/dbraw/zinc/10/14/95/565101495.db2.gz CBUFOOACTFNMIZ-INIZCTEOSA-N 1 0 389.297 2.795 20 0 GFADRO COc1ccc(C[C@@H](CO)C[NH2+]Cc2cnn3c2CCC3)cc1Br ZINC000657485139 565102591 /nfs/dbraw/zinc/10/25/91/565102591.db2.gz XPFVCCBUTOBCNM-CQSZACIVSA-N 1 0 394.313 2.541 20 0 GFADRO COCc1csc(C[NH2+]CCNS(=O)(=O)c2ccc(Cl)cc2C)c1 ZINC000657465732 565102864 /nfs/dbraw/zinc/10/28/64/565102864.db2.gz GKNLDDKZQZPCTC-UHFFFAOYSA-N 1 0 388.942 2.924 20 0 GFADRO CC(=O)Nc1cccc([C@H](C)[NH2+]Cc2ccc(Cl)c(S(N)(=O)=O)c2)c1 ZINC000685325424 565103866 /nfs/dbraw/zinc/10/38/66/565103866.db2.gz ZHIFZPHCOHXPCQ-NSHDSACASA-N 1 0 381.885 2.797 20 0 GFADRO CC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CCO[C@H]1c1cncc(Br)c1 ZINC000614249921 565104453 /nfs/dbraw/zinc/10/44/53/565104453.db2.gz IBWRUABQJMYKGS-WQVCFCJDSA-N 1 0 384.318 2.768 20 0 GFADRO COc1ccc(Br)cc1C[C@H](CO)C[NH2+]Cc1cnc2n1CCC2 ZINC000657486062 565104708 /nfs/dbraw/zinc/10/47/08/565104708.db2.gz XLLWZTOAMPZDLX-ZDUSSCGKSA-N 1 0 394.313 2.541 20 0 GFADRO COCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](Cc2cscc2Br)C1 ZINC000685411354 565105056 /nfs/dbraw/zinc/10/50/56/565105056.db2.gz QNKRKBUUUMLMPL-NEPJUHHUSA-N 1 0 375.332 2.874 20 0 GFADRO Cc1c(F)c(Br)ccc1NC(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000657534083 565107502 /nfs/dbraw/zinc/10/75/02/565107502.db2.gz DVIZUFODKJXYQL-KBPBESRZSA-N 1 0 398.276 2.578 20 0 GFADRO CCO[C@H]1C[C@H]([NH2+]Cc2cc(Br)ccc2O[C@H](C)C(=O)NC)C1 ZINC000657612560 565112638 /nfs/dbraw/zinc/11/26/38/565112638.db2.gz ZLORLLXTXKIARH-KCPJHIHWSA-N 1 0 385.302 2.620 20 0 GFADRO O=C(NC[C@H]1C[N@@H+]2CCN1CCC2)c1ccc2scc(Br)c2c1 ZINC000614503877 565116066 /nfs/dbraw/zinc/11/60/66/565116066.db2.gz QUMLWJDVPPEZSU-ZDUSSCGKSA-N 1 0 394.338 2.784 20 0 GFADRO COC[C@@]1(C[NH2+][C@H](C)Cn2cc(Br)cn2)OCCc2ccccc21 ZINC000685655671 565119106 /nfs/dbraw/zinc/11/91/06/565119106.db2.gz KHXFJLYJRIBQKB-RDTXWAMCSA-N 1 0 394.313 2.738 20 0 GFADRO NC(=O)c1csc(CNCc2cc(Cl)ccc2OC[C@H]2CCCO2)n1 ZINC000657685349 565119268 /nfs/dbraw/zinc/11/92/68/565119268.db2.gz CDYLJFDQJUWCMO-CYBMUJFWSA-N 1 0 381.885 2.743 20 0 GFADRO COc1c(Cl)cc(NC(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1Cl ZINC000587344989 565120547 /nfs/dbraw/zinc/12/05/47/565120547.db2.gz RSNBVNMPZIZVAE-CMPLNLGQSA-N 1 0 386.279 2.684 20 0 GFADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)Nc1cc(Cl)c(OC)c(Cl)c1 ZINC000587560358 565122683 /nfs/dbraw/zinc/12/26/83/565122683.db2.gz FSTUYHSFAYUBPW-JTQLQIEISA-N 1 0 376.284 2.787 20 0 GFADRO C[NH+]1CCC(CNC(=O)NCc2ccc(Br)c(F)c2F)CC1 ZINC000636731554 565123435 /nfs/dbraw/zinc/12/34/35/565123435.db2.gz BBUVJBVLZWWDKO-UHFFFAOYSA-N 1 0 376.245 2.868 20 0 GFADRO CSc1cc(Cl)ccc1NC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000657737209 565124817 /nfs/dbraw/zinc/12/48/17/565124817.db2.gz JFGUPZZRKAZIBI-IUODEOHRSA-N 1 0 381.929 2.943 20 0 GFADRO COc1ccc(CNC2CC[NH+]([C@@H]3CCOC3)CC2)c(Br)c1O ZINC000657751799 565126158 /nfs/dbraw/zinc/12/61/58/565126158.db2.gz KPEXAEPSZGECTB-CQSZACIVSA-N 1 0 385.302 2.506 20 0 GFADRO COc1ccc(C(=O)N[C@@H]2CCC[C@H]2[NH+](C)C)c(I)c1 ZINC000614712683 565129216 /nfs/dbraw/zinc/12/92/16/565129216.db2.gz RTGWMAGRHCYSMY-ZIAGYGMSSA-N 1 0 388.249 2.512 20 0 GFADRO CN1CCC[C@@H](NC(=O)N[C@@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)C1=O ZINC000636906739 565129620 /nfs/dbraw/zinc/12/96/20/565129620.db2.gz RKUNKKQGGCHAFX-CABCVRRESA-N 1 0 387.311 2.516 20 0 GFADRO CCC[N@H+](CC)C[C@H](C)Nc1c(F)cc(S(N)(=O)=O)cc1Br ZINC000685931591 565132205 /nfs/dbraw/zinc/13/22/05/565132205.db2.gz KIWOIVHVGJAYRM-JTQLQIEISA-N 1 0 396.326 2.768 20 0 GFADRO CC(=O)N1CCN(CC[NH2+][C@@H](C)c2ccc(Br)c(Cl)c2)CC1 ZINC000657836379 565132216 /nfs/dbraw/zinc/13/22/16/565132216.db2.gz RTFVNJYAVRSIMC-LBPRGKRZSA-N 1 0 388.737 2.917 20 0 GFADRO O=S(=O)(NC[C@H]1CCCO1)c1ccc(C[NH2+][C@H]2CCCSCC2)cc1 ZINC000657856021 565133807 /nfs/dbraw/zinc/13/38/07/565133807.db2.gz JQPROBUJCOMSIJ-DLBZAZTESA-N 1 0 384.567 2.519 20 0 GFADRO C[C@@H](Cc1ccc(Cl)c(C(F)(F)F)c1)[NH2+]CC(=O)N1CCN(C)CC1 ZINC000657855713 565133838 /nfs/dbraw/zinc/13/38/38/565133838.db2.gz GHRJRULXFZERPP-LBPRGKRZSA-N 1 0 377.838 2.653 20 0 GFADRO C[NH+]1CCC2(CCN(C(=O)c3cnc4ncc(Br)cc4c3)C2)CC1 ZINC000614965114 565140103 /nfs/dbraw/zinc/14/01/03/565140103.db2.gz MJIMDRJRXMHCQS-UHFFFAOYSA-N 1 0 389.297 2.950 20 0 GFADRO CC(C)[C@@H](Cc1ccc(Br)cc1)[NH2+]Cc1nnc2n1CCOC2 ZINC000657991618 565142358 /nfs/dbraw/zinc/14/23/58/565142358.db2.gz VRYOCRXSFLFFHV-OAHLLOKOSA-N 1 0 379.302 2.928 20 0 GFADRO C[C@@H]1COCC[N@@H+]1C1CCN(C(=O)Cc2ccc(F)cc2Br)CC1 ZINC000615088109 565143542 /nfs/dbraw/zinc/14/35/42/565143542.db2.gz YECKUSDSYQFTES-CYBMUJFWSA-N 1 0 399.304 2.842 20 0 GFADRO COCCC[NH+]1CCC(NC(=O)c2ccc(OC)cc2Br)CC1 ZINC000588933246 565145115 /nfs/dbraw/zinc/14/51/15/565145115.db2.gz LEOPQSARAWGKGC-UHFFFAOYSA-N 1 0 385.302 2.688 20 0 GFADRO C[NH+]1CCC(CC(=O)N2CC[C@H](Oc3cncc(Br)c3)C2)CC1 ZINC000615128202 565147562 /nfs/dbraw/zinc/14/75/62/565147562.db2.gz VTILNNLPWIBGID-HNNXBMFYSA-N 1 0 382.302 2.556 20 0 GFADRO C[C@H]([NH2+][C@H]1CCN(S(C)(=O)=O)C1)c1ccc(Br)c(Cl)c1 ZINC000658048428 565148256 /nfs/dbraw/zinc/14/82/56/565148256.db2.gz XIQSEUBXPSQJND-ONGXEEELSA-N 1 0 381.723 2.787 20 0 GFADRO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]CCc1noc2ccccc21 ZINC000658065962 565149109 /nfs/dbraw/zinc/14/91/09/565149109.db2.gz URVXYOUXAKNZOW-LBPRGKRZSA-N 1 0 376.254 2.973 20 0 GFADRO COc1ncc(Br)cc1CNC(=O)N1CC[C@@H]([NH+]2CCCC2)[C@H]1C ZINC000637406439 565154503 /nfs/dbraw/zinc/15/45/03/565154503.db2.gz ZERBPBRLGLTAFU-IUODEOHRSA-N 1 0 397.317 2.621 20 0 GFADRO C[C@H](C(=O)N1CCOC[C@H]1[C@H]1CCC[N@@H+]1C)c1ccc(Br)cc1 ZINC000615270835 565154706 /nfs/dbraw/zinc/15/47/06/565154706.db2.gz SFTUHSPIWRNSAP-XKQJLSEDSA-N 1 0 381.314 2.874 20 0 GFADRO Cc1ccc(Br)cc1CC(=O)N1CCOC[C@H]1[C@H]1CCC[N@H+]1C ZINC000615275689 565155199 /nfs/dbraw/zinc/15/51/99/565155199.db2.gz NKCCRKWCELTAIM-SJORKVTESA-N 1 0 381.314 2.622 20 0 GFADRO C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)C1(c2cccc(Br)c2)CC(=O)C1 ZINC000615306188 565156031 /nfs/dbraw/zinc/15/60/31/565156031.db2.gz ZUULVZRYIDROTG-BLLLJJGKSA-N 1 0 379.298 2.601 20 0 GFADRO C[C@H]([NH2+]CC1(S(C)(=O)=O)CCCCC1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000658204591 565156135 /nfs/dbraw/zinc/15/61/35/565156135.db2.gz BKMTVERPHZQZMZ-ZDUSSCGKSA-N 1 0 391.530 2.627 20 0 GFADRO COC(=O)[C@@H](C)Oc1ccc(C[N@H+](C)CCn2cc(Br)cn2)cc1 ZINC000589210458 565156549 /nfs/dbraw/zinc/15/65/49/565156549.db2.gz DYWXQWAZIFIJPG-CYBMUJFWSA-N 1 0 396.285 2.718 20 0 GFADRO COCCOCCN(C)C(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000637474065 565158253 /nfs/dbraw/zinc/15/82/53/565158253.db2.gz NNAFIPIWMNVSJS-MRXNPFEDSA-N 1 0 392.327 2.901 20 0 GFADRO C[NH+](C)C[C@@H](NC(=O)N1CCC(C(N)=O)CC1)c1ccc(Cl)c(Cl)c1 ZINC000637474612 565159222 /nfs/dbraw/zinc/15/92/22/565159222.db2.gz RAXXBBWAZCAVPY-OAHLLOKOSA-N 1 0 387.311 2.503 20 0 GFADRO CCN(C(=O)C(=O)Nc1ccc(Br)cc1Cl)[C@@H]1CC[N@H+](C)C1 ZINC000658358005 565161102 /nfs/dbraw/zinc/16/11/02/565161102.db2.gz XGIRDBAFGGWIBM-LLVKDONJSA-N 1 0 388.693 2.594 20 0 GFADRO C[NH+](C)CC1CN(C(=O)c2cnc3c(Cl)cc(Br)cc3c2O)C1 ZINC000615505010 565162938 /nfs/dbraw/zinc/16/29/38/565162938.db2.gz DDHCFIZOIBVRLZ-UHFFFAOYSA-N 1 0 398.688 2.578 20 0 GFADRO CSC1(CNC(=O)Cc2ccc(Br)s2)CC[NH+](C)CC1 ZINC000589475806 565163768 /nfs/dbraw/zinc/16/37/68/565163768.db2.gz FCBIPRPRDKWEMK-UHFFFAOYSA-N 1 0 377.373 2.997 20 0 GFADRO O=S(=O)(c1ccc(C(F)(F)F)nc1)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000658385953 565165673 /nfs/dbraw/zinc/16/56/73/565165673.db2.gz XAANXLOCEIBNFJ-CYBMUJFWSA-N 1 0 377.432 2.501 20 0 GFADRO O=S(=O)(c1sccc1Br)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000658387553 565167194 /nfs/dbraw/zinc/16/71/94/565167194.db2.gz VLDBVMOJGGKKBB-GFCCVEGCSA-N 1 0 393.372 2.911 20 0 GFADRO Cc1cc(C[NH3+])oc1C(=O)N(C)CC(=O)Nc1ccc(Br)cc1C ZINC000637882286 565175604 /nfs/dbraw/zinc/17/56/04/565175604.db2.gz DWJWOCBDSYNBER-UHFFFAOYSA-N 1 0 394.269 2.828 20 0 GFADRO Cn1cc(Br)c(CNC(=O)[C@H](C[NH+]2CCCC2)c2ccccc2)n1 ZINC000615832860 565176890 /nfs/dbraw/zinc/17/68/90/565176890.db2.gz UIPBJNJRBZAVNR-OAHLLOKOSA-N 1 0 391.313 2.678 20 0 GFADRO CC[NH2+][C@@H](C)C(=O)N1CCC(C(=O)Nc2cccc(Br)c2)CC1 ZINC000637968629 565179016 /nfs/dbraw/zinc/17/90/16/565179016.db2.gz FPAVGTQRABITFQ-LBPRGKRZSA-N 1 0 382.302 2.624 20 0 GFADRO C[NH+]1CCC2(CCCN2C(=O)C(=O)NCc2ccc(Cl)c(Cl)c2)CC1 ZINC000658622346 565178987 /nfs/dbraw/zinc/17/89/87/565178987.db2.gz LORLZAHERWGMKN-UHFFFAOYSA-N 1 0 384.307 2.696 20 0 GFADRO CCCC(=O)NC[C@@H]1CCC[N@H+](Cc2cnn3cc(Br)cnc23)C1 ZINC000637988980 565179698 /nfs/dbraw/zinc/17/96/98/565179698.db2.gz QEVKGGHMCIPLSC-ZDUSSCGKSA-N 1 0 394.317 2.620 20 0 GFADRO C[C@H]([NH2+]CC(=O)NC(=O)NCc1ccco1)c1ccc(F)c(Br)c1 ZINC000590193300 565180323 /nfs/dbraw/zinc/18/03/23/565180323.db2.gz LGPQOENQIIEITR-JTQLQIEISA-N 1 0 398.232 2.858 20 0 GFADRO C[C@]1(C(=O)N2CCC(OCc3ccc(Cl)c(Cl)c3)CC2)C[NH2+]CCO1 ZINC000638031486 565181632 /nfs/dbraw/zinc/18/16/32/565181632.db2.gz OUDLNMXIRAPFLM-GOSISDBHSA-N 1 0 387.307 2.880 20 0 GFADRO O=C(NC1CC[NH+](C2CCC2)CC1)c1cc(Br)cc2c1OCCO2 ZINC000616003504 565183205 /nfs/dbraw/zinc/18/32/05/565183205.db2.gz FSDCSBLQHAWKNP-UHFFFAOYSA-N 1 0 395.297 2.967 20 0 GFADRO Cc1cc(C[NH3+])oc1C(=O)NCCOc1ncc(C(F)(F)F)cc1Cl ZINC000638121167 565184874 /nfs/dbraw/zinc/18/48/74/565184874.db2.gz CNOXZZOSPOEOHA-UHFFFAOYSA-N 1 0 377.750 2.923 20 0 GFADRO C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)CCC2C[NH2+]C2)CC1 ZINC000638127859 565185634 /nfs/dbraw/zinc/18/56/34/565185634.db2.gz ZKHCYARBRPLQFL-AWEZNQCLSA-N 1 0 380.330 2.654 20 0 GFADRO O=C(c1ccc2cncc(Br)c2n1)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000638143256 565186542 /nfs/dbraw/zinc/18/65/42/565186542.db2.gz PIKRPRYHRRCFGS-HNNXBMFYSA-N 1 0 389.297 2.997 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+]CCOc2ccccc2C(F)(F)F)s1 ZINC000590448141 565189205 /nfs/dbraw/zinc/18/92/05/565189205.db2.gz XGGDVMSPTDOFEH-UHFFFAOYSA-N 1 0 380.413 2.583 20 0 GFADRO CCN(CC)[C@H](C[NH2+]Cc1ccc(S(N)(=O)=O)o1)c1ccccc1Cl ZINC000638290466 565190279 /nfs/dbraw/zinc/19/02/79/565190279.db2.gz GPDOYONVMRDFJG-MRXNPFEDSA-N 1 0 385.917 2.753 20 0 GFADRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(Br)cc3c2OCCO3)C1 ZINC000616157374 565192180 /nfs/dbraw/zinc/19/21/80/565192180.db2.gz SCHQPPKKBJILFZ-CYBMUJFWSA-N 1 0 383.286 2.775 20 0 GFADRO CC1(C)C[NH2+][C@H]1C1CCN(C(=O)c2cc(Br)c3nccn3c2)CC1 ZINC000638352520 565192617 /nfs/dbraw/zinc/19/26/17/565192617.db2.gz LUNXEEYXIJZCCZ-HNNXBMFYSA-N 1 0 391.313 2.947 20 0 GFADRO COCCOc1ccc(C[NH2+]Cc2cnn3cc(Br)cnc23)cc1 ZINC000638359777 565193509 /nfs/dbraw/zinc/19/35/09/565193509.db2.gz MZQGRJIUGKONAX-UHFFFAOYSA-N 1 0 391.269 2.807 20 0 GFADRO [NH3+]CC12CCC(CC1)CN2C(=O)c1ccc2cncc(Br)c2n1 ZINC000638379801 565193534 /nfs/dbraw/zinc/19/35/34/565193534.db2.gz NZASIEARSGGNAB-UHFFFAOYSA-N 1 0 375.270 2.736 20 0 GFADRO C[C@H](CN1CCOCC1)[NH2+][C@H]1CCN(C)[C@H](c2ccc(Br)cc2)C1 ZINC000638368317 565193938 /nfs/dbraw/zinc/19/39/38/565193938.db2.gz VYTWCHMCUUPKKC-MNEFBYGVSA-N 1 0 396.373 2.895 20 0 GFADRO C[C@H]1CCCN(C(=O)c2ccc3cncc(Br)c3n2)[C@@H]1CC[NH3+] ZINC000638391275 565195730 /nfs/dbraw/zinc/19/57/30/565195730.db2.gz WICPJQPYOIUQHO-XHDPSFHLSA-N 1 0 377.286 2.982 20 0 GFADRO CN(C)C[C@@H](Cc1ccccc1)[NH2+]Cc1cnn2cc(Br)cnc12 ZINC000638401600 565195751 /nfs/dbraw/zinc/19/57/51/565195751.db2.gz DMCIYKJCXOCBAI-QGZVFWFLSA-N 1 0 388.313 2.754 20 0 GFADRO C[NH2+]CCCC(=O)N1CCC(NC(=O)Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000638429403 565197033 /nfs/dbraw/zinc/19/70/33/565197033.db2.gz AZPQEKLLDAOOSB-UHFFFAOYSA-N 1 0 386.323 2.643 20 0 GFADRO Cn1cc(CCC[NH2+]CCCNC(=O)c2cccc(Br)c2)cn1 ZINC000638476465 565198001 /nfs/dbraw/zinc/19/80/01/565198001.db2.gz OBMKWASISYBWOL-UHFFFAOYSA-N 1 0 379.302 2.525 20 0 GFADRO O=C(NCCC[NH2+]Cc1ccc(CO)cc1)c1cccc(Br)c1 ZINC000638476114 565198371 /nfs/dbraw/zinc/19/83/71/565198371.db2.gz LLAUGJATIWZCQU-UHFFFAOYSA-N 1 0 377.282 2.851 20 0 GFADRO C[NH2+]C[C@@H](C)NC(=O)Nc1nnc(-c2cccc(OC(F)(F)F)c2)s1 ZINC000659013925 565199203 /nfs/dbraw/zinc/19/92/03/565199203.db2.gz USRSPFSCSGUSMU-MRVPVSSYSA-N 1 0 375.376 2.833 20 0 GFADRO Cc1nnc(C(=O)Nc2cc(Br)ccc2N(C)CC[NH+](C)C)s1 ZINC000616422804 565200926 /nfs/dbraw/zinc/20/09/26/565200926.db2.gz IGYRQRNDUKKPPO-UHFFFAOYSA-N 1 0 398.330 2.859 20 0 GFADRO [NH3+]C1(CNC(=O)c2ccc(Br)c(OC(F)(F)F)c2)CCOCC1 ZINC000638539466 565201551 /nfs/dbraw/zinc/20/15/51/565201551.db2.gz DRCYEOPGGYWIIU-UHFFFAOYSA-N 1 0 397.191 2.585 20 0 GFADRO O=C(Nc1cccc(Br)c1)C(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000659092777 565201630 /nfs/dbraw/zinc/20/16/30/565201630.db2.gz UCODDASDJYFVSV-AWEZNQCLSA-N 1 0 394.313 2.626 20 0 GFADRO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)Nc1cc(F)c(Br)cc1Cl ZINC000659105977 565201884 /nfs/dbraw/zinc/20/18/84/565201884.db2.gz CHVTZJUBLVRHDR-LLVKDONJSA-N 1 0 394.672 2.670 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)N[C@@H]1CC[NH2+][C@H]1CC ZINC000638571532 565203023 /nfs/dbraw/zinc/20/30/23/565203023.db2.gz SOAACSADPMMFGL-QLFBSQMISA-N 1 0 384.567 2.608 20 0 GFADRO CCCN(C(=O)c1cc(Br)cc2c1OCCO2)[C@H]1CC[N@H+](C)C1 ZINC000616468457 565203079 /nfs/dbraw/zinc/20/30/79/565203079.db2.gz YWOACIZTFHVIRH-ZDUSSCGKSA-N 1 0 383.286 2.777 20 0 GFADRO COc1ncc(Br)cc1CNC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+] ZINC000638561943 565203311 /nfs/dbraw/zinc/20/33/11/565203311.db2.gz VNQKHJHXIOPQFD-QOARYFPJSA-N 1 0 382.302 2.623 20 0 GFADRO O=C(NCCc1cc(Cl)cc(Cl)c1)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000590863810 565207422 /nfs/dbraw/zinc/20/74/22/565207422.db2.gz XZJZMRCGNOLGRD-IRXDYDNUSA-N 1 0 386.323 2.777 20 0 GFADRO C[C@@]([NH3+])(C(=O)N1CCc2c(O)cccc2C1)c1ccc(Br)cc1 ZINC000638700106 565208371 /nfs/dbraw/zinc/20/83/71/565208371.db2.gz YJMRQGNPQJJZSM-SFHVURJKSA-N 1 0 375.266 2.914 20 0 GFADRO Cc1ccc(C(=O)N2CCC(CO[C@H]3CC[NH2+]C3)CC2)cc1Br ZINC000638778878 565210394 /nfs/dbraw/zinc/21/03/94/565210394.db2.gz NTAVZNJYAHFVCP-INIZCTEOSA-N 1 0 381.314 2.988 20 0 GFADRO O=C(N[C@@H]1CC12CC[NH2+]CC2)c1cc(Br)cc(N2CCCC2)c1 ZINC000659313756 565211296 /nfs/dbraw/zinc/21/12/96/565211296.db2.gz OKZZJADMLQPPFH-MRXNPFEDSA-N 1 0 378.314 2.921 20 0 GFADRO COCC1(CNC(=O)c2c(Cl)cccc2Br)CC[NH2+]CC1 ZINC000659309989 565211312 /nfs/dbraw/zinc/21/13/12/565211312.db2.gz RNBLVRDMYNUMCD-UHFFFAOYSA-N 1 0 375.694 2.849 20 0 GFADRO C[C@](C[NH3+])(NC(=O)Cc1ccc(Br)c(Br)c1)C1CC1 ZINC000659296230 565211359 /nfs/dbraw/zinc/21/13/59/565211359.db2.gz CHAYVAOXBSONBM-CQSZACIVSA-N 1 0 390.119 2.998 20 0 GFADRO Brc1cnc2c(C[NH2+][C@@H]3[C@H]4CCO[C@H]4C34CCCC4)cnn2c1 ZINC000638791291 565211537 /nfs/dbraw/zinc/21/15/37/565211537.db2.gz KCJCMXXJRYOTAO-RBSFLKMASA-N 1 0 377.286 2.929 20 0 GFADRO COc1cc(C(=O)N2CCC(CO[C@H]3CC[NH2+]C3)CC2)ccc1Br ZINC000638786837 565211980 /nfs/dbraw/zinc/21/19/80/565211980.db2.gz RIYYEEPSJVJDON-HNNXBMFYSA-N 1 0 397.313 2.688 20 0 GFADRO [NH3+]C[C@@H]1c2ccccc2CCN1C(=O)c1sc2c(c1Br)CNC2 ZINC000659324626 565213054 /nfs/dbraw/zinc/21/30/54/565213054.db2.gz HDVIAYVLACOUTC-CYBMUJFWSA-N 1 0 392.322 2.812 20 0 GFADRO O=C(c1cn(C[C@H]2CCC[NH2+]2)nn1)N1CCc2ccc(Cl)c(Cl)c2C1 ZINC000659339178 565214286 /nfs/dbraw/zinc/21/42/86/565214286.db2.gz ZWTKKBDTLRDYLU-GFCCVEGCSA-N 1 0 380.279 2.535 20 0 GFADRO O=C(N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1)c1ccncc1Br ZINC000659354767 565214654 /nfs/dbraw/zinc/21/46/54/565214654.db2.gz IGDOUEBKODQIPO-BBRMVZONSA-N 1 0 378.245 2.859 20 0 GFADRO [NH3+][C@@H]1CN(C(=O)c2cc(Br)sc2Br)CC[C@H]1F ZINC000659391361 565215192 /nfs/dbraw/zinc/21/51/92/565215192.db2.gz ULZCOYYKHUKXSS-RNFRBKRXSA-N 1 0 386.084 2.784 20 0 GFADRO COc1ccc(COCC[NH2+]Cc2cnn3cc(Br)cnc23)cc1 ZINC000638856455 565215889 /nfs/dbraw/zinc/21/58/89/565215889.db2.gz ZYCWQHQYUGFTMP-UHFFFAOYSA-N 1 0 391.269 2.807 20 0 GFADRO CCOc1cc(Br)c(CC(=O)N2C[C@H]([NH3+])C[C@H]2C)cc1OCC ZINC000638938238 565217551 /nfs/dbraw/zinc/21/75/51/565217551.db2.gz ABBXLDDWTHGORF-DGCLKSJQSA-N 1 0 385.302 2.737 20 0 GFADRO Cc1cc(COc2ccc(C(=O)N3C[C@@H]([NH3+])C[C@@H]3C)cc2Br)no1 ZINC000638938984 565217607 /nfs/dbraw/zinc/21/76/07/565217607.db2.gz OQNGHEXHAIWMCV-GWCFXTLKSA-N 1 0 394.269 2.886 20 0 GFADRO [NH3+]C1(CNC(=O)N[C@H]2CCN(c3cccc(Br)c3)C2)CCCC1 ZINC000659486784 565217851 /nfs/dbraw/zinc/21/78/51/565217851.db2.gz QVZVMVWESMCKLD-AWEZNQCLSA-N 1 0 381.318 2.599 20 0 GFADRO C[C@@H]1C[C@H]([NH3+])CN1C(=O)CCc1ncc(-c2ccccc2Br)o1 ZINC000638933355 565217853 /nfs/dbraw/zinc/21/78/53/565217853.db2.gz BPQXZYHDLRKBDQ-NEPJUHHUSA-N 1 0 378.270 2.985 20 0 GFADRO [NH3+][C@@H]1CN(C(=O)NCCCc2ccc(Br)cc2F)CC[C@H]1F ZINC000659456968 565218366 /nfs/dbraw/zinc/21/83/66/565218366.db2.gz VAASPPGLXFMCTJ-TZMCWYRMSA-N 1 0 376.245 2.602 20 0 GFADRO [NH3+]C1(C(=O)N[C@@H]2[C@H]3Cc4cc(Br)ccc4[C@@H]23)Cc2ccccc2C1 ZINC000638942093 565218731 /nfs/dbraw/zinc/21/87/31/565218731.db2.gz CURMDHBSFZJQBA-RCCFBDPRSA-N 1 0 383.289 2.700 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638940912 565218760 /nfs/dbraw/zinc/21/87/60/565218760.db2.gz TYLTTXZVVUMSSF-OKILXGFUSA-N 1 0 375.270 2.520 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)c1cc(Br)c2c(c1)OCCO2 ZINC000617014428 565219137 /nfs/dbraw/zinc/21/91/37/565219137.db2.gz JDNAVJKTTAONFB-LBPRGKRZSA-N 1 0 383.286 2.823 20 0 GFADRO O=C(NC[C@H]1C[NH2+]CCCO1)N[C@@H]1CCCCc2cc(Br)ccc21 ZINC000659548029 565220203 /nfs/dbraw/zinc/22/02/03/565220203.db2.gz CXMOCMMIOPVCQB-NVXWUHKLSA-N 1 0 396.329 2.894 20 0 GFADRO O=C(NC[C@H]1C[NH2+]CCCO1)N[C@H]1CCCCc2cc(Br)ccc21 ZINC000659548033 565220250 /nfs/dbraw/zinc/22/02/50/565220250.db2.gz CXMOCMMIOPVCQB-WBVHZDCISA-N 1 0 396.329 2.894 20 0 GFADRO O=C(c1cc(=O)[nH]c2c(Br)cccc12)N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000639021562 565220905 /nfs/dbraw/zinc/22/09/05/565220905.db2.gz HYQDQCCKJGPEJZ-IAQYHMDHSA-N 1 0 390.281 2.917 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)NCC2(Cc3ccc(Br)cc3)CC2)CCCO1 ZINC000659599327 565220895 /nfs/dbraw/zinc/22/08/95/565220895.db2.gz JVXBGZZNNAVEIJ-MRXNPFEDSA-N 1 0 396.329 2.531 20 0 GFADRO CC[C@@H](Cc1ccc(Br)cc1)NC(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000659624503 565220978 /nfs/dbraw/zinc/22/09/78/565220978.db2.gz OEJPGUDXEMWKSJ-HOTGVXAUSA-N 1 0 384.318 2.529 20 0 GFADRO CC(C)[C@H]([NH3+])CCNC(=O)N1CCN(c2ccc(Br)cc2)CC1 ZINC000659621119 565221155 /nfs/dbraw/zinc/22/11/55/565221155.db2.gz VSTOEKMCQARGFM-MRXNPFEDSA-N 1 0 383.334 2.654 20 0 GFADRO COC(=O)c1cc(NC(=O)N2C[C@@H](C[NH3+])C[C@H]2C)c(Br)cc1F ZINC000591287374 565221877 /nfs/dbraw/zinc/22/18/77/565221877.db2.gz SHBOCYQEWNJMGW-RKDXNWHRSA-N 1 0 388.237 2.576 20 0 GFADRO CCCN(Cc1ccccc1Br)C(=O)C(=O)NCC[C@@H]([NH3+])C(C)C ZINC000659740713 565222098 /nfs/dbraw/zinc/22/20/98/565222098.db2.gz FVEGQYZLLOCXTH-MRXNPFEDSA-N 1 0 398.345 2.677 20 0 GFADRO O[C@H](CCc1ccccc1)C[NH2+]Cc1cnn2cc(Br)cnc12 ZINC000639040206 565222111 /nfs/dbraw/zinc/22/21/11/565222111.db2.gz DYRRDVGXRFJKGQ-MRXNPFEDSA-N 1 0 375.270 2.575 20 0 GFADRO CCS(=O)(=O)N1CCC(C[NH2+]Cc2cc(Cl)cc(Cl)c2N)CC1 ZINC000639045030 565222137 /nfs/dbraw/zinc/22/21/37/565222137.db2.gz FJQZAKAPBQAGQF-UHFFFAOYSA-N 1 0 380.341 2.727 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)N[C@H]1CC[C@H]([NH3+])CC1 ZINC000639031759 565222145 /nfs/dbraw/zinc/22/21/45/565222145.db2.gz VWRQDXOYAVXQDQ-KKUMJFAQSA-N 1 0 384.567 2.737 20 0 GFADRO O=C(NC[C@H]1CCCC[NH2+]1)Nc1cccc(F)c1I ZINC000591294536 565223080 /nfs/dbraw/zinc/22/30/80/565223080.db2.gz NIIRTWYDJZJOKT-SECBINFHSA-N 1 0 377.201 2.694 20 0 GFADRO C[C@@H]1C[C@H](C)C[N@@H+](CCN2CCN(c3ccc(Br)cn3)CC2)C1 ZINC000659827437 565225052 /nfs/dbraw/zinc/22/50/52/565225052.db2.gz VQGQHGOIZCGOFR-IYBDPMFKSA-N 1 0 381.362 2.944 20 0 GFADRO CCn1c(C[NH2+]C[C@H](OC)[C@@H]2CCOC2)nc2cc(Br)ccc21 ZINC000639103506 565225176 /nfs/dbraw/zinc/22/51/76/565225176.db2.gz PJXGWRHDSYNQMO-WBMJQRKESA-N 1 0 382.302 2.960 20 0 GFADRO CCN(CC[NH2+]Cc1cnn2cc(Br)cnc12)CCC(F)(F)F ZINC000639109112 565225940 /nfs/dbraw/zinc/22/59/40/565225940.db2.gz ZSEOABNCVOCDDQ-UHFFFAOYSA-N 1 0 394.239 2.856 20 0 GFADRO C[C@H](CNC(=O)N(C)CCOc1ccc(Br)cc1)[N@H+](C)C1CC1 ZINC000591615494 565233350 /nfs/dbraw/zinc/23/33/50/565233350.db2.gz LXMAHMIRCVFHON-CYBMUJFWSA-N 1 0 384.318 2.952 20 0 GFADRO CO[C@@H](C[NH2+]Cc1cnn2cc(Br)cnc12)Cc1ccccc1 ZINC000639218469 565233373 /nfs/dbraw/zinc/23/33/73/565233373.db2.gz DYNJIPQDEOXQIY-MRXNPFEDSA-N 1 0 375.270 2.839 20 0 GFADRO Cc1cc(NC(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)ccc1Br ZINC000591657428 565235426 /nfs/dbraw/zinc/23/54/26/565235426.db2.gz KLSGEZUOCVYTPZ-HOTGVXAUSA-N 1 0 382.302 2.820 20 0 GFADRO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+]C[C@H](OC)C2CCOCC2)c1 ZINC000639260990 565235725 /nfs/dbraw/zinc/23/57/25/565235725.db2.gz CFIWNZRGQCCCPL-KRWDZBQOSA-N 1 0 375.918 2.665 20 0 GFADRO CC[NH+]1CCC(N(C)CC(=O)c2c[nH]c3ncc(Br)cc23)CC1 ZINC000659983889 565236523 /nfs/dbraw/zinc/23/65/23/565236523.db2.gz XSYPNOAFEMICRW-UHFFFAOYSA-N 1 0 379.302 2.924 20 0 GFADRO CCOc1cc(Br)c(CC(=O)N[C@H]2CCC[N@H+](C)C2)cc1OCC ZINC000617412333 565237088 /nfs/dbraw/zinc/23/70/88/565237088.db2.gz HFLKKCFSUVSSSQ-AWEZNQCLSA-N 1 0 399.329 2.999 20 0 GFADRO CCC[N@@H+]1CC[C@@H](NS(=O)(=O)c2cccc(Cl)c2Br)C1 ZINC000660028549 565240102 /nfs/dbraw/zinc/24/01/02/565240102.db2.gz WNPXKVWSWJNSGS-SNVBAGLBSA-N 1 0 381.723 2.865 20 0 GFADRO CN1CC[C@H]([NH2+]C[C@H]2COCCN2C)C[C@@H]1c1ccc(Br)cc1 ZINC000639352704 565241019 /nfs/dbraw/zinc/24/10/19/565241019.db2.gz QFCCVPKAQTUPGD-OKZBNKHCSA-N 1 0 382.346 2.505 20 0 GFADRO O=C(Cc1ccc(I)cc1)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000591892246 565243715 /nfs/dbraw/zinc/24/37/15/565243715.db2.gz HOUKJWQQNVQHNB-HOCLYGCPSA-N 1 0 398.288 2.824 20 0 GFADRO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)c1c[nH]nc1-c1ccc(Cl)s1 ZINC000617507271 565243968 /nfs/dbraw/zinc/24/39/68/565243968.db2.gz PARPOVCTPMGURV-LBPRGKRZSA-N 1 0 383.949 2.793 20 0 GFADRO CN(C)C(=O)C1CC[NH+](C[C@@H](O)COc2cc(Cl)cc(Cl)c2)CC1 ZINC000639435702 565245582 /nfs/dbraw/zinc/24/55/82/565245582.db2.gz YMRRBFVYQYKHMI-OAHLLOKOSA-N 1 0 375.296 2.533 20 0 GFADRO CCN(C(=O)CCC(=O)c1cc(Br)ccc1OC)[C@@H]1CC[N@H+](C)C1 ZINC000617560060 565246869 /nfs/dbraw/zinc/24/68/69/565246869.db2.gz GDGILLIWNQGPTA-CQSZACIVSA-N 1 0 397.313 2.973 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CN(C)C[C@@H](O)C[C@@](C)(O)C1CC1 ZINC000639447694 565246906 /nfs/dbraw/zinc/24/69/06/565246906.db2.gz OLYBPPGPOIRWBT-MAUKXSAKSA-N 1 0 399.329 2.540 20 0 GFADRO C[C@H]1CN(C[C@@H](O)COc2cc(Cl)cc(Cl)c2)CC[N@@H+]1CC(C)(C)O ZINC000639602015 565250876 /nfs/dbraw/zinc/25/08/76/565250876.db2.gz MUVWAZNCSXLRBW-XJKSGUPXSA-N 1 0 391.339 2.510 20 0 GFADRO O[C@@H](C[N@@H+]1CCC[C@@H]1c1ccc(Br)s1)CC1(O)CCOCC1 ZINC000639577536 565251074 /nfs/dbraw/zinc/25/10/74/565251074.db2.gz KLZLYZNDFAQXHW-CHWSQXEVSA-N 1 0 390.343 2.940 20 0 GFADRO C[C@@H]([NH2+]C[C@@H]1CCc2ncnn21)c1ccc(Br)cc1OCCCO ZINC000639653006 565253422 /nfs/dbraw/zinc/25/34/22/565253422.db2.gz YTCYLYZFJIDPSV-OCCSQVGLSA-N 1 0 395.301 2.640 20 0 GFADRO COc1ccc(Br)cc1C1([NH2+]C[C@@H](O)C[C@](C)(O)C2CC2)CC1 ZINC000639692030 565254815 /nfs/dbraw/zinc/25/48/15/565254815.db2.gz AUOYTMXLDOKIPK-YOEHRIQHSA-N 1 0 384.314 2.948 20 0 GFADRO C[NH+](C)CCn1cc(NC(=O)N2CCc3ccc(Br)cc32)cn1 ZINC000639752341 565258536 /nfs/dbraw/zinc/25/85/36/565258536.db2.gz ZQRRYDYSCCZPNH-UHFFFAOYSA-N 1 0 378.274 2.802 20 0 GFADRO C[NH+](C)C[C@H]1COC2(CCCC2)CN1S(=O)(=O)c1cccc(Cl)c1F ZINC000660150856 565260450 /nfs/dbraw/zinc/26/04/50/565260450.db2.gz MCPIYFYFMGRDAL-ZDUSSCGKSA-N 1 0 390.908 2.743 20 0 GFADRO CC[N@H+](CCSC)CC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000592202646 565261761 /nfs/dbraw/zinc/26/17/61/565261761.db2.gz LMQNRMRRRCUKES-UHFFFAOYSA-N 1 0 391.368 2.722 20 0 GFADRO COC(=O)[C@H](CNC(=O)[C@@](C)([NH3+])c1ccc(Br)cc1)CC(C)C ZINC000592174281 565262275 /nfs/dbraw/zinc/26/22/75/565262275.db2.gz LBVFRCIJARTCQW-SJCJKPOMSA-N 1 0 385.302 2.575 20 0 GFADRO C[C@@H]1CN(CC[NH2+]C(C)(C)COc2ncccc2Br)C[C@H](C)O1 ZINC000660164652 565262962 /nfs/dbraw/zinc/26/29/62/565262962.db2.gz QNFQGESQLFKNTJ-OKILXGFUSA-N 1 0 386.334 2.700 20 0 GFADRO CCCS(=O)(=O)CC(=O)Nc1nc2ccc(C[N@H+](C)C3CC3)cc2s1 ZINC000617866706 565264031 /nfs/dbraw/zinc/26/40/31/565264031.db2.gz WUGOWMZDCVJCNU-UHFFFAOYSA-N 1 0 381.523 2.654 20 0 GFADRO C[C@@H](CS(C)(=O)=O)C(=O)Nc1nc2ccc(C[N@H+](C)C3CC3)cc2s1 ZINC000617866477 565264094 /nfs/dbraw/zinc/26/40/94/565264094.db2.gz NOCYAKSNTQVOHY-NSHDSACASA-N 1 0 381.523 2.510 20 0 GFADRO CCN(C(=O)c1cc(Br)cc2[nH]c(=O)[nH]c21)[C@H]1CC[N@H+](CC)C1 ZINC000617924610 565267354 /nfs/dbraw/zinc/26/73/54/565267354.db2.gz YPDCDNJSJPLPPK-NSHDSACASA-N 1 0 381.274 2.587 20 0 GFADRO CC(C)S(=O)(=O)N1CC[C@H]([NH2+]CCc2nsc3ccccc23)[C@H](C)C1 ZINC000660308787 565270018 /nfs/dbraw/zinc/27/00/18/565270018.db2.gz PUZYTAUCCJWRGU-ZBFHGGJFSA-N 1 0 381.567 2.877 20 0 GFADRO CC1([NH3+])CCN(C(=O)CCC[S@](=O)c2ccc(Br)cc2)CC1 ZINC000592329310 565270346 /nfs/dbraw/zinc/27/03/46/565270346.db2.gz WGCMYEUBBITDHL-QFIPXVFZSA-N 1 0 387.343 2.677 20 0 GFADRO O=C(NCC1CC[NH+](Cc2ccncc2)CC1)c1ccncc1Br ZINC000617977374 565270362 /nfs/dbraw/zinc/27/03/62/565270362.db2.gz UVHPIBDEOSIFTI-UHFFFAOYSA-N 1 0 389.297 2.881 20 0 GFADRO CN(Cc1ncsc1Br)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000660334449 565271290 /nfs/dbraw/zinc/27/12/90/565271290.db2.gz MJFPEYGNCMFVMR-KRWDZBQOSA-N 1 0 396.354 2.974 20 0 GFADRO O=C(NCc1csc(Br)c1)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000660342356 565271396 /nfs/dbraw/zinc/27/13/96/565271396.db2.gz OOZBJTHZBSJYOD-CYBMUJFWSA-N 1 0 388.331 2.563 20 0 GFADRO COC[C@@H](C[N@H+](C)Cc1cccc(Br)c1OCC(C)(C)O)OC ZINC000660398425 565273810 /nfs/dbraw/zinc/27/38/10/565273810.db2.gz FINVNSOPWYGKKP-CQSZACIVSA-N 1 0 390.318 2.692 20 0 GFADRO CC(C)[C@](C)([NH2+]CCN1C(=O)CN(C)C1=O)c1ccc(Br)cc1 ZINC000660398229 565274060 /nfs/dbraw/zinc/27/40/60/565274060.db2.gz MHYFAKOTPDCOLG-KRWDZBQOSA-N 1 0 382.302 2.804 20 0 GFADRO OCCC1(CCO)CC[NH+](C[C@H](O)COc2cc(Cl)cc(Cl)c2)CC1 ZINC000640011381 565274808 /nfs/dbraw/zinc/27/48/08/565274808.db2.gz OWLDXVKUTMRYMX-INIZCTEOSA-N 1 0 392.323 2.580 20 0 GFADRO COC(=O)c1cc(NC(=O)N[C@H](C)C[C@H](C)[NH3+])c(Br)cc1F ZINC000592426811 565275268 /nfs/dbraw/zinc/27/52/68/565275268.db2.gz RFLHDGDSDIWFKN-JGVFFNPUSA-N 1 0 376.226 2.622 20 0 GFADRO COc1cc(CN2CCC(C)([NH3+])CC2)cc(I)c1OC ZINC000592431627 565276257 /nfs/dbraw/zinc/27/62/57/565276257.db2.gz REEUQUKTPWNAKK-UHFFFAOYSA-N 1 0 390.265 2.622 20 0 GFADRO C[C@H](NC(=O)c1cnn2c1[C@@H](C[NH3+])CCC2)c1ccccc1Br ZINC000592480026 565278580 /nfs/dbraw/zinc/27/85/80/565278580.db2.gz VEBQYUJIIZFUHJ-NWDGAFQWSA-N 1 0 377.286 2.973 20 0 GFADRO CN(Cc1cccc(Br)c1)C(=O)c1cnn2c1[C@H](C[NH3+])CCC2 ZINC000592485607 565278763 /nfs/dbraw/zinc/27/87/63/565278763.db2.gz JIZFMXVBTWLROI-ZDUSSCGKSA-N 1 0 377.286 2.754 20 0 GFADRO C[C@H](Cc1ccc(Br)cc1)NC(=O)c1cnn2c1[C@H](C[NH3+])CCC2 ZINC000592495008 565278836 /nfs/dbraw/zinc/27/88/36/565278836.db2.gz NHRXSCCRCDFVDH-OCCSQVGLSA-N 1 0 391.313 2.843 20 0 GFADRO O=C(N[C@H]1CC[NH2+]C2(CCC2)C1)c1cc(F)ccc1I ZINC000592568978 565282188 /nfs/dbraw/zinc/28/21/88/565282188.db2.gz SOKYCCVCCKKBNH-NSHDSACASA-N 1 0 388.224 2.835 20 0 GFADRO Cc1cc(Br)c(O)c(NC(=O)c2cnn3c2[C@H](C[NH3+])CCC3)c1 ZINC000592561682 565282198 /nfs/dbraw/zinc/28/21/98/565282198.db2.gz HVIMQBVHXPJNQG-JTQLQIEISA-N 1 0 379.258 2.748 20 0 GFADRO Nc1n[nH]c(C2CC[NH+](CCC(=O)Nc3c(Cl)cccc3Cl)CC2)n1 ZINC000660567465 565282614 /nfs/dbraw/zinc/28/26/14/565282614.db2.gz JOKDFLSCICYHKO-UHFFFAOYSA-N 1 0 383.283 2.902 20 0 GFADRO Cc1nn(C)c(NC(=O)NC[C@H]2CCC[N@@H+](CC(C)C)C2)c1Br ZINC000640165295 565282817 /nfs/dbraw/zinc/28/28/17/565282817.db2.gz JQAZGDGUWFUBSH-CYBMUJFWSA-N 1 0 386.338 2.981 20 0 GFADRO C[N@@H+]1CCC[C@]2(CCN(CC(=O)c3c[nH]c4ncc(Br)cc34)C2)C1 ZINC000660641841 565286671 /nfs/dbraw/zinc/28/66/71/565286671.db2.gz KTNGSMTUGWJANT-SFHVURJKSA-N 1 0 391.313 2.926 20 0 GFADRO COCC1([NH2+]CC(=O)N(C)Cc2cc(Cl)cc(Cl)c2)CCOCC1 ZINC000660636105 565287101 /nfs/dbraw/zinc/28/71/01/565287101.db2.gz OZHNOMOETURRSS-UHFFFAOYSA-N 1 0 375.296 2.737 20 0 GFADRO CC[NH+](CC)CCNC(=O)Nc1cc(N2CCOCC2)ccc1Br ZINC000640234677 565289825 /nfs/dbraw/zinc/28/98/25/565289825.db2.gz UPNMHIMTIDRTAZ-UHFFFAOYSA-N 1 0 399.333 2.749 20 0 GFADRO CNS(=O)(=O)c1ccc(C[NH2+][C@H](c2cccs2)C2(CO)CCC2)cc1 ZINC000660756880 565293355 /nfs/dbraw/zinc/29/33/55/565293355.db2.gz AOXILUWYJOTBFU-QGZVFWFLSA-N 1 0 380.535 2.650 20 0 GFADRO C[NH+](C)CC1CCC(NC(=O)Nc2nn(CC(F)(F)F)cc2Cl)CC1 ZINC000640295671 565294788 /nfs/dbraw/zinc/29/47/88/565294788.db2.gz ZYUOQRZTYMHPGD-UHFFFAOYSA-N 1 0 381.830 3.341 20 0 GFADRO O=C(N[C@H]1CC[N@@H+](C2CC2)C1)N1CCOc2cc(Br)ccc2C1 ZINC000660840767 565295520 /nfs/dbraw/zinc/29/55/20/565295520.db2.gz LNZUVNCLZSYKDJ-AWEZNQCLSA-N 1 0 380.286 2.590 20 0 GFADRO Cn1cc(Br)c(NC(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)n1 ZINC000640307738 565296910 /nfs/dbraw/zinc/29/69/10/565296910.db2.gz HPVRYIKBOBDPOQ-GFCCVEGCSA-N 1 0 398.330 3.203 20 0 GFADRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)Nc1nn(C)cc1Br ZINC000640308650 565298281 /nfs/dbraw/zinc/29/82/81/565298281.db2.gz QSIBEFWILPVURA-UHFFFAOYSA-N 1 0 394.317 3.345 20 0 GFADRO CCCN(C(=O)c1cc(I)ccc1O)[C@@H]1CC[N@H+](C)C1 ZINC000592829546 565300110 /nfs/dbraw/zinc/30/01/10/565300110.db2.gz QERDFSIHDDRMNM-GFCCVEGCSA-N 1 0 388.249 2.553 20 0 GFADRO CCCN(C(=O)Cc1cccc(I)c1)[C@@H]1CC[N@H+](C)C1 ZINC000592829187 565300202 /nfs/dbraw/zinc/30/02/02/565300202.db2.gz LJXPGQIUPSELRK-OAHLLOKOSA-N 1 0 386.277 2.776 20 0 GFADRO OCCOCC[N@H+](CCOc1cc(F)cc(Br)c1)C1CCC1 ZINC000661100103 565306628 /nfs/dbraw/zinc/30/66/28/565306628.db2.gz WGFDVZXSCTWRDO-UHFFFAOYSA-N 1 0 376.266 2.830 20 0 GFADRO C[N@H+](C[C@@H](O)COc1ccc(Br)cc1)[C@@H](CO)Cc1ccccc1 ZINC000661096540 565306967 /nfs/dbraw/zinc/30/69/67/565306967.db2.gz FLRPYKMIFKCIQP-QZTJIDSGSA-N 1 0 394.309 2.724 20 0 GFADRO CS(=O)(=O)NCC[NH2+]C1(c2ccc(Br)cc2)CCCCC1 ZINC000661134362 565308859 /nfs/dbraw/zinc/30/88/59/565308859.db2.gz WWWJFAYKLTUURB-UHFFFAOYSA-N 1 0 375.332 2.747 20 0 GFADRO COC[C@H]([NH2+]CCC(=O)Nc1ccccc1Br)C1CCOCC1 ZINC000661155443 565310185 /nfs/dbraw/zinc/31/01/85/565310185.db2.gz AZZNITULGSJWDI-INIZCTEOSA-N 1 0 385.302 2.809 20 0 GFADRO COC[C@H]([NH2+]CC(=O)N(C)Cc1ccc(Cl)c(Cl)c1)C1CCOCC1 ZINC000661161526 565311792 /nfs/dbraw/zinc/31/17/92/565311792.db2.gz XBEJCFYCCPRELE-KRWDZBQOSA-N 1 0 389.323 2.983 20 0 GFADRO C[C@@H]1CCC[N@H+](CC(=O)N(C)Cc2ccccc2Br)[C@@H]1CCO ZINC000661484452 565325920 /nfs/dbraw/zinc/32/59/20/565325920.db2.gz HFQWKPKKDLIJEO-RHSMWYFYSA-N 1 0 383.330 2.890 20 0 GFADRO C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)n1cc(CN(C)CCC[NH3+])nn1 ZINC000640781381 565326680 /nfs/dbraw/zinc/32/66/80/565326680.db2.gz GBQHJXHOHLRGMX-NSHDSACASA-N 1 0 385.299 2.565 20 0 GFADRO O=C1[C@H]([N@@H+]2CC[C@@H]3NC(=O)CC[C@@H]3C2)CCN1c1ccc(Cl)c(Cl)c1 ZINC000661596204 565329723 /nfs/dbraw/zinc/32/97/23/565329723.db2.gz AZLJOQQRPFMASG-XFBWCDHKSA-N 1 0 382.291 2.699 20 0 GFADRO C[C@@H](NC(=O)Cn1cc([C@@H]2CCC[NH2+]C2)nn1)c1ccc(Cl)cc1Cl ZINC000640838039 565329894 /nfs/dbraw/zinc/32/98/94/565329894.db2.gz ANEQDVRHVPYYOF-VXGBXAGGSA-N 1 0 382.295 2.929 20 0 GFADRO CCC[N@H+](C)[C@H](CNC(=O)N1C[C@@H]2C[C@H]1C[S@]2=O)c1ccc(Cl)cc1 ZINC000593404858 565330349 /nfs/dbraw/zinc/33/03/49/565330349.db2.gz WIDRDTMMTFUNML-GRGOHXHGSA-N 1 0 383.945 2.638 20 0 GFADRO C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@H+]1C[C@@H](C)[C@H](O)[C@@H](C)C1 ZINC000661625228 565331556 /nfs/dbraw/zinc/33/15/56/565331556.db2.gz SNFGZBSHJZRCNY-QDEZUTFSSA-N 1 0 383.330 2.745 20 0 GFADRO C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@H+]1C[C@@H](C)[C@H](O)[C@@H](C)C1 ZINC000661625226 565331648 /nfs/dbraw/zinc/33/16/48/565331648.db2.gz SNFGZBSHJZRCNY-OEUWWYETSA-N 1 0 383.330 2.745 20 0 GFADRO C[N@H+](C[C@@H]1CCCN(S(C)(=O)=O)C1)[C@H](CO)c1cccc(Cl)c1Cl ZINC000661643970 565333334 /nfs/dbraw/zinc/33/33/34/565333334.db2.gz QTDLWQZIHFOYGI-SWLSCSKDSA-N 1 0 395.352 2.630 20 0 GFADRO C[C@H](C(=O)Nc1cccc(Br)c1)n1cc([C@H]2CCC[NH2+]C2)nn1 ZINC000640881141 565334138 /nfs/dbraw/zinc/33/41/38/565334138.db2.gz OKBDEPGLKSCQBX-NEPJUHHUSA-N 1 0 378.274 2.707 20 0 GFADRO C[C@@H]1[C@H](C)N(c2ncnc3cc(I)sc32)CC[N@H+]1C ZINC000593469162 565334428 /nfs/dbraw/zinc/33/44/28/565334428.db2.gz IIUOZNJOQBJYKY-BDAKNGLRSA-N 1 0 388.278 2.825 20 0 GFADRO C[C@H]1C[N@H+](C)[C@@H](C)CN1c1ncnc2cc(I)sc21 ZINC000593471096 565334656 /nfs/dbraw/zinc/33/46/56/565334656.db2.gz XZTRGAFYSFVKGP-IUCAKERBSA-N 1 0 388.278 2.825 20 0 GFADRO C[C@@H]1[C@H](C)[N@H+](C)CCN1c1ncnc2cc(I)sc21 ZINC000593469163 565334710 /nfs/dbraw/zinc/33/47/10/565334710.db2.gz IIUOZNJOQBJYKY-DTWKUNHWSA-N 1 0 388.278 2.825 20 0 GFADRO Cc1cc(NC(=O)[C@H](C)n2cc(CCCC[NH3+])nn2)ccc1Br ZINC000640907434 565336347 /nfs/dbraw/zinc/33/63/47/565336347.db2.gz RNZIEYQUNHKUTB-LBPRGKRZSA-N 1 0 380.290 2.830 20 0 GFADRO O=C(C[NH2+][C@@H]1C[C@@H](O)C12CCC2)Nc1c(F)cc(F)cc1Br ZINC000661833280 565340065 /nfs/dbraw/zinc/34/00/65/565340065.db2.gz QIOKGJSXPWUOOC-VXGBXAGGSA-N 1 0 375.213 2.559 20 0 GFADRO C[C@H]([NH2+][C@@H]1C[C@H](O)C12CCC2)C(=O)N(C)Cc1ccc(Br)cc1 ZINC000661839630 565340295 /nfs/dbraw/zinc/34/02/95/565340295.db2.gz NNFAUWHZDGVQPB-MAZHCROVSA-N 1 0 381.314 2.689 20 0 GFADRO C[C@@H]1CC[N@H+](C[C@@H](O)COc2cc(F)cc(Br)c2)C[C@H](C)O1 ZINC000661853288 565341493 /nfs/dbraw/zinc/34/14/93/565341493.db2.gz ROWDLSGXHSATEG-TYNCELHUSA-N 1 0 376.266 2.827 20 0 GFADRO C[N@@H+]1CCC[C@@H](NC(=O)c2ccc3cc(I)ccc3n2)C1 ZINC000619472314 565343545 /nfs/dbraw/zinc/34/35/45/565343545.db2.gz BLVOLKHDFIZPTI-CYBMUJFWSA-N 1 0 395.244 2.663 20 0 GFADRO O=C1CCCN1C[C@H]1CC[N@@H+](Cc2cc3c(cc2Br)OCO3)C1 ZINC000662059174 565347010 /nfs/dbraw/zinc/34/70/10/565347010.db2.gz DANMOQLBUVFRHU-LBPRGKRZSA-N 1 0 381.270 2.622 20 0 GFADRO O=c1cc(C[NH+]2CCC(c3ccon3)CC2)nc2ccc(Br)cn12 ZINC000662047046 565347787 /nfs/dbraw/zinc/34/77/87/565347787.db2.gz DIHMNKWUGWVHJP-UHFFFAOYSA-N 1 0 389.253 2.825 20 0 GFADRO O=C1CCCN1C[C@H]1CC[N@@H+](C[C@@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000662062348 565349060 /nfs/dbraw/zinc/34/90/60/565349060.db2.gz NVYFUWPOELDKNT-UONOGXRCSA-N 1 0 387.307 2.677 20 0 GFADRO O=C(NCC12CCC[NH+]1CCC2)c1ccc(F)cc1I ZINC000619574181 565349516 /nfs/dbraw/zinc/34/95/16/565349516.db2.gz XYVOYMHXHNORCT-UHFFFAOYSA-N 1 0 388.224 2.789 20 0 GFADRO O=C(CN1CC[C@@H]1c1ccc(Br)cc1)NC1CC[NH+](C2CC2)CC1 ZINC000662097889 565349993 /nfs/dbraw/zinc/34/99/93/565349993.db2.gz ZOBVJRFKQVMQLF-GOSISDBHSA-N 1 0 392.341 2.939 20 0 GFADRO [NH3+][C@H](Cc1cn(Cc2ncsc2Br)nn1)Cc1ccccc1 ZINC000641174933 565352298 /nfs/dbraw/zinc/35/22/98/565352298.db2.gz SXAZSKIEFRXISF-LBPRGKRZSA-N 1 0 378.299 2.658 20 0 GFADRO O=C(C[NH+]1CCC(c2ccc(Br)cc2)CC1)NC(=O)NC1CC1 ZINC000619723106 565356424 /nfs/dbraw/zinc/35/64/24/565356424.db2.gz QOIDJKMTTZLODJ-UHFFFAOYSA-N 1 0 380.286 2.617 20 0 GFADRO C[C@H]([NH3+])[C@H]1CN(Cc2cccc(OCC(F)(F)F)c2Br)CCO1 ZINC000662248110 565358197 /nfs/dbraw/zinc/35/81/97/565358197.db2.gz UBKFAVRPLPERSL-GXFFZTMASA-N 1 0 397.235 2.938 20 0 GFADRO C[C@H]([NH2+]CC[C@]1(O)CCCOC1)c1ccccc1I ZINC000593719632 565358515 /nfs/dbraw/zinc/35/85/15/565358515.db2.gz GLATWYUGVWKUDO-SWLSCSKDSA-N 1 0 375.250 2.873 20 0 GFADRO [NH3+]C[C@]12CCC[C@H]1CN(C(=O)Nc1ccccc1I)C2 ZINC000593757412 565359274 /nfs/dbraw/zinc/35/92/74/565359274.db2.gz CUZGNDCYGUFVMZ-NHYWBVRUSA-N 1 0 385.249 2.884 20 0 GFADRO NC(=O)[C@@H](c1ccc(Br)cc1F)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662298750 565359235 /nfs/dbraw/zinc/35/92/35/565359235.db2.gz XKWQUAKPDATIST-SUMWQHHRSA-N 1 0 398.320 2.826 20 0 GFADRO COC(=O)c1cccc(NC(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)c1Br ZINC000593764006 565359803 /nfs/dbraw/zinc/35/98/03/565359803.db2.gz VFOQMZLGIBURAK-GTNSWQLSSA-N 1 0 396.285 2.828 20 0 GFADRO C[C@@H](C(=O)Nc1cccc(Br)c1)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662321458 565360520 /nfs/dbraw/zinc/36/05/20/565360520.db2.gz IPJCUTLUEQTACS-WMLDXEAASA-N 1 0 398.345 2.819 20 0 GFADRO C[NH+](C)CCC[C@@H]1CN(Cc2nnc(-c3ccc(Br)o3)o2)CCO1 ZINC000662317957 565360677 /nfs/dbraw/zinc/36/06/77/565360677.db2.gz UTOKVGZYDPFHRB-GFCCVEGCSA-N 1 0 399.289 2.635 20 0 GFADRO C[NH+](C)CCC[C@H]1CN(C[C@@H](O)COc2c(Cl)cccc2Cl)CCO1 ZINC000662318826 565360755 /nfs/dbraw/zinc/36/07/55/565360755.db2.gz HGWFNLNHDXUADU-CABCVRRESA-N 1 0 391.339 2.776 20 0 GFADRO C[C@H](C(=O)Nc1ccc(Br)cc1)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662320927 565360906 /nfs/dbraw/zinc/36/09/06/565360906.db2.gz KNWKXGHQMGOAMW-RHSMWYFYSA-N 1 0 398.345 2.819 20 0 GFADRO CC[C@@H]([NH2+]C)C(=O)N1CCC(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000662432146 565367161 /nfs/dbraw/zinc/36/71/61/565367161.db2.gz KUGHPLBQRCYRRL-OAHLLOKOSA-N 1 0 382.302 2.624 20 0 GFADRO Cc1ccc(C(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)cc1I ZINC000593915690 565367618 /nfs/dbraw/zinc/36/76/18/565367618.db2.gz WTTVIMXYANJFBG-BBRMVZONSA-N 1 0 384.261 2.801 20 0 GFADRO COc1cnc(N2CCC(OCC[NH+]3CCCC3)CC2)c(Br)c1 ZINC000641409200 565370603 /nfs/dbraw/zinc/37/06/03/565370603.db2.gz PFVPPUURMRZPTC-UHFFFAOYSA-N 1 0 384.318 2.934 20 0 GFADRO C[C@H](Cc1ccc(F)c(Br)c1)NC(=O)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC000662502882 565372879 /nfs/dbraw/zinc/37/28/79/565372879.db2.gz NZDDOKHXKVREKE-ZYHUDNBSSA-N 1 0 395.276 2.749 20 0 GFADRO O=C(NCCNc1cccc(Br)c1)c1cc(C2CC[NH2+]CC2)no1 ZINC000662514825 565373668 /nfs/dbraw/zinc/37/36/68/565373668.db2.gz ROHKYNRSXYYGJL-UHFFFAOYSA-N 1 0 393.285 2.746 20 0 GFADRO COc1ccc(Br)c(NC(=O)c2cn([C@H]3CCC[NH2+]CC3)nn2)c1 ZINC000662535730 565374760 /nfs/dbraw/zinc/37/47/60/565374760.db2.gz UREIZRZFDSZGNS-NSHDSACASA-N 1 0 394.273 2.616 20 0 GFADRO [NH3+]C1(CC(=O)N2CCC(C(=O)Nc3ccc(Br)cc3)CC2)CC1 ZINC000662552884 565377435 /nfs/dbraw/zinc/37/74/35/565377435.db2.gz USWRTSIJRDYWDZ-UHFFFAOYSA-N 1 0 380.286 2.508 20 0 GFADRO C[C@@H](CNC(=O)c1cc(C(C)(C)[NH3+])no1)Oc1cccc(Br)c1 ZINC000662633382 565379587 /nfs/dbraw/zinc/37/95/87/565379587.db2.gz ZZFVJATZUZSEKT-JTQLQIEISA-N 1 0 382.258 2.828 20 0 GFADRO O=C(c1c[nH]nc1[C@H]1CC[NH2+]C1)N1CCc2sc(Br)cc2C1 ZINC000662692092 565382487 /nfs/dbraw/zinc/38/24/87/565382487.db2.gz WCCFAAHSKRZBDV-VIFPVBQESA-N 1 0 381.299 2.509 20 0 GFADRO C[NH+]1CCC2(CCN(S(=O)(=O)Cc3cccc(C(F)(F)F)c3)C2)CC1 ZINC000641590920 565385055 /nfs/dbraw/zinc/38/50/55/565385055.db2.gz WQOQJCYXZNHBME-UHFFFAOYSA-N 1 0 376.444 2.953 20 0 GFADRO O=C(N1CCO[C@@H](c2ccc(F)cc2Cl)C1)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662802173 565385392 /nfs/dbraw/zinc/38/53/92/565385392.db2.gz GKEPTACYRAKDPP-HIFRSBDPSA-N 1 0 380.769 2.921 20 0 GFADRO C[C@@H](Oc1cc(Cl)cc(Cl)c1)C(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000620484210 565385756 /nfs/dbraw/zinc/38/57/56/565385756.db2.gz JDPZAOVOGSLVHK-MLGOLLRUSA-N 1 0 387.307 2.818 20 0 GFADRO O=C(CCOc1ccc(Cl)c(Cl)c1)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000620486314 565386337 /nfs/dbraw/zinc/38/63/37/565386337.db2.gz CRUBPMYVZUSQSM-CQSZACIVSA-N 1 0 387.307 2.820 20 0 GFADRO C[C@H](C[NH+](C)C)[C@@H]1CCCCN1S(=O)(=O)c1ncccc1C(F)(F)F ZINC000641622866 565386921 /nfs/dbraw/zinc/38/69/21/565386921.db2.gz CUMBUTNKTLWZOM-OCCSQVGLSA-N 1 0 379.448 2.841 20 0 GFADRO CC[NH+]1CCN(CC(=O)N[C@H]2CCCCc3cc(Br)ccc32)CC1 ZINC000620494426 565387112 /nfs/dbraw/zinc/38/71/12/565387112.db2.gz LMWGDJZTICYDCS-SFHVURJKSA-N 1 0 394.357 2.970 20 0 GFADRO C[C@@H](C[NH+](C)C)[C@H]1CCCCN1S(=O)(=O)c1ncccc1C(F)(F)F ZINC000641622864 565387354 /nfs/dbraw/zinc/38/73/54/565387354.db2.gz CUMBUTNKTLWZOM-GXTWGEPZSA-N 1 0 379.448 2.841 20 0 GFADRO C[C@@H]1[C@@H](c2ccc(Br)cc2)OCCN1C(=O)COC1CC[NH2+]CC1 ZINC000662859688 565388636 /nfs/dbraw/zinc/38/86/36/565388636.db2.gz SMBFSPHOUHCFSP-ACJLOTCBSA-N 1 0 397.313 2.506 20 0 GFADRO Cc1ccc2c(c1Br)CN(C(=O)c1ccn(CC[NH+](C)C)n1)C2 ZINC000620651290 565390736 /nfs/dbraw/zinc/39/07/36/565390736.db2.gz IWJZIGXGDFVYTD-UHFFFAOYSA-N 1 0 377.286 2.672 20 0 GFADRO C[C@@H]1CN(C(=O)[C@](C)([NH3+])c2ccc(Br)cc2)C[C@@](C)(C(F)F)O1 ZINC000663004066 565392598 /nfs/dbraw/zinc/39/25/98/565392598.db2.gz KRRZRPFONBRSDK-HPEXNQPKSA-N 1 0 391.256 2.894 20 0 GFADRO CC[NH+](CC)[C@H](CNC(=O)CCn1cc(Br)cn1)c1ccco1 ZINC000620725495 565394187 /nfs/dbraw/zinc/39/41/87/565394187.db2.gz ZARKKYRXSMHXMF-CQSZACIVSA-N 1 0 383.290 2.828 20 0 GFADRO O=C(Cn1cc(Br)cn1)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000620736876 565396257 /nfs/dbraw/zinc/39/62/57/565396257.db2.gz DKSMSVNHZMUMAM-INIZCTEOSA-N 1 0 391.313 2.674 20 0 GFADRO O[C@@H](C[NH2+]Cc1cc(Br)sc1Br)[C@H]1CCCO1 ZINC000641775630 565398212 /nfs/dbraw/zinc/39/82/12/565398212.db2.gz NSZJEODVXKGISV-DTWKUNHWSA-N 1 0 385.121 2.903 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCc2c(nnn2C)C1)c1ccccc1I ZINC000594523186 565398476 /nfs/dbraw/zinc/39/84/76/565398476.db2.gz WPKLIMVUAWHELB-WDEREUQCSA-N 1 0 382.249 2.628 20 0 GFADRO C[NH+](C)CCC[C@H]1CN(C(=O)COc2ccc(Cl)cc2Cl)CCO1 ZINC000620960692 565401987 /nfs/dbraw/zinc/40/19/87/565401987.db2.gz TZAQOWGFTLROPR-AWEZNQCLSA-N 1 0 375.296 2.941 20 0 GFADRO C[NH+](C)CCC[C@H]1CN(C(=O)c2c(F)ccc(Br)c2F)CCO1 ZINC000620976153 565402925 /nfs/dbraw/zinc/40/29/25/565402925.db2.gz FYUTUGMVRHMIJL-NSHDSACASA-N 1 0 391.256 2.910 20 0 GFADRO Cc1ccc(Br)cc1CC(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000620979643 565403157 /nfs/dbraw/zinc/40/31/57/565403157.db2.gz XUICFOUHDMSPRW-KRWDZBQOSA-N 1 0 383.330 2.869 20 0 GFADRO C[NH+](C)CCC[C@H]1CN(C(=O)c2c(F)cc(Br)cc2F)CCO1 ZINC000620971513 565403300 /nfs/dbraw/zinc/40/33/00/565403300.db2.gz JZKBBSVUXDXMRT-LBPRGKRZSA-N 1 0 391.256 2.910 20 0 GFADRO CCn1c(SCC(=O)NC[C@@H](C)[NH+](C)C)nnc1-c1ccc(Cl)cc1 ZINC000642152822 565406737 /nfs/dbraw/zinc/40/67/37/565406737.db2.gz TUVPOKNOZXWYHG-GFCCVEGCSA-N 1 0 381.933 2.777 20 0 GFADRO O[C@@H](C[NH2+]C1CCN([C@H]2CCOC2)CC1)COc1ccc(Cl)cc1Cl ZINC000663363111 565415064 /nfs/dbraw/zinc/41/50/64/565415064.db2.gz HKUWDPQQSZYTLR-HOTGVXAUSA-N 1 0 389.323 2.576 20 0 GFADRO C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)Nc1ncccc1Br ZINC000621284326 565415423 /nfs/dbraw/zinc/41/54/23/565415423.db2.gz OTWAQPBVXZFBCC-INIZCTEOSA-N 1 0 391.313 2.545 20 0 GFADRO COCC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1c(C)c(Cl)cc(C)c1Cl ZINC000594762564 565416223 /nfs/dbraw/zinc/41/62/23/565416223.db2.gz LNLFPVORWFZBJU-CYBMUJFWSA-N 1 0 395.352 2.999 20 0 GFADRO CC(C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000642981964 565419794 /nfs/dbraw/zinc/41/97/94/565419794.db2.gz MRTHLJJCSCUFNF-AWEZNQCLSA-N 1 0 386.323 2.989 20 0 GFADRO O=S(=O)(N[C@H]1CC[N@H+](CC2CC2)C1)c1cc(Cl)ccc1OC(F)F ZINC000643205869 565424699 /nfs/dbraw/zinc/42/46/99/565424699.db2.gz RCJNEMMKTCVFBA-LBPRGKRZSA-N 1 0 380.844 2.704 20 0 GFADRO C[NH+](C)C1CCC(NS(=O)(=O)Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000643222098 565425736 /nfs/dbraw/zinc/42/57/36/565425736.db2.gz OCJDJQUXCDBXGQ-UHFFFAOYSA-N 1 0 380.432 2.877 20 0 GFADRO CCOCCOc1ccc(Br)cc1NC(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000663590006 565426948 /nfs/dbraw/zinc/42/69/48/565426948.db2.gz YYNPCERQMKLRNC-INIZCTEOSA-N 1 0 386.290 2.738 20 0 GFADRO COC1([C@H](C)[NH2+]C[C@@H](O)COc2ccc(Cl)c(Cl)c2)CCOCC1 ZINC000643257011 565427414 /nfs/dbraw/zinc/42/74/14/565427414.db2.gz KZDUTCKRUBZPSA-QWHCGFSZSA-N 1 0 378.296 2.907 20 0 GFADRO O=C(NCCCN1CC[NH2+]CC1)Nc1ccc(OC(F)(F)F)cc1Cl ZINC000663596917 565428204 /nfs/dbraw/zinc/42/82/04/565428204.db2.gz MNVYNSDFLWFSAT-UHFFFAOYSA-N 1 0 380.798 2.655 20 0 GFADRO C[C@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000643488477 565434157 /nfs/dbraw/zinc/43/41/57/565434157.db2.gz ODJAENQFUPBNHF-XHBSWPGZSA-N 1 0 384.307 2.723 20 0 GFADRO CC1([NH3+])CCN(C(=O)C(=O)N(Cc2ccc(Cl)c(Cl)c2)C2CC2)CC1 ZINC000643494293 565434397 /nfs/dbraw/zinc/43/43/97/565434397.db2.gz KGYBPLODHQZLLD-UHFFFAOYSA-N 1 0 384.307 2.824 20 0 GFADRO C[C@H](N[C@@H]1CC[NH2+]C2(CCC2)C1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000643548341 565435631 /nfs/dbraw/zinc/43/56/31/565435631.db2.gz OAXHPWRLCWVUQX-WDEREUQCSA-N 1 0 392.352 2.966 20 0 GFADRO C[C@@H]1COCCN1CC[NH2+]Cc1cc(Cl)ccc1I ZINC000594919291 565435891 /nfs/dbraw/zinc/43/58/91/565435891.db2.gz HKNBSEUJDCZLDB-LLVKDONJSA-N 1 0 394.684 2.755 20 0 GFADRO COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]CCC(=O)Nc1cc(Br)ccc1C ZINC000594927091 565435911 /nfs/dbraw/zinc/43/59/11/565435911.db2.gz UKRPOXBEZJXUFL-IACUBPJLSA-N 1 0 383.286 2.873 20 0 GFADRO COCC[C@@](C)(O)C[NH2+][C@@H]1CCc2ccc(I)cc21 ZINC000595009362 565442642 /nfs/dbraw/zinc/44/26/42/565442642.db2.gz RKEPJEUSQXSKHQ-HUUCEWRRSA-N 1 0 375.250 2.656 20 0 GFADRO OC[C@H](C[NH2+][C@H]1CCc2ccc(I)cc21)[C@@H]1CCOC1 ZINC000595054395 565445550 /nfs/dbraw/zinc/44/55/50/565445550.db2.gz NAFKUXMUBWOILJ-WWGRRREGSA-N 1 0 387.261 2.513 20 0 GFADRO CC(C)(C[NH2+][C@@H]1CCc2ccc(I)cc21)OCCO ZINC000595053198 565446074 /nfs/dbraw/zinc/44/60/74/565446074.db2.gz WVWGRAGPKCVGGP-CQSZACIVSA-N 1 0 375.250 2.656 20 0 GFADRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)c2cc(Br)c[nH]c2=O)C1 ZINC000621887799 565447291 /nfs/dbraw/zinc/44/72/91/565447291.db2.gz OLURNKOQDSSGOO-OAHLLOKOSA-N 1 0 390.281 2.896 20 0 GFADRO C[C@@H](CCNC(=O)N[C@@H]1CCN(c2ccc(Br)cc2)C1)[NH+](C)C ZINC000663976567 565447652 /nfs/dbraw/zinc/44/76/52/565447652.db2.gz WNRXHTNWGDCWQG-DZGCQCFKSA-N 1 0 383.334 2.667 20 0 GFADRO CC(=O)NC1CCC([NH2+]CCc2ccc(I)cc2)CC1 ZINC000595094872 565447988 /nfs/dbraw/zinc/44/79/88/565447988.db2.gz NHQYWKHTPIQQKT-UHFFFAOYSA-N 1 0 386.277 2.871 20 0 GFADRO C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)c1cc(Br)c[nH]c1=O ZINC000621922411 565448521 /nfs/dbraw/zinc/44/85/21/565448521.db2.gz ZGHAEMOJZFNSQG-UHFFFAOYSA-N 1 0 396.260 2.893 20 0 GFADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)c1cc(Br)c[nH]c1=O ZINC000621954796 565450600 /nfs/dbraw/zinc/45/06/00/565450600.db2.gz KCWMEXNCSMWZLO-MLGOLLRUSA-N 1 0 390.281 2.800 20 0 GFADRO Brc1ccc(N2CC[C@H]([NH2+]C[C@H]3CNc4ccnn4C3)C2)cc1 ZINC000595148562 565452062 /nfs/dbraw/zinc/45/20/62/565452062.db2.gz YTZSUNBSVGZOJJ-ZFWWWQNUSA-N 1 0 376.302 2.556 20 0 GFADRO O=C(Nc1ccc(I)cc1F)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000595236445 565456780 /nfs/dbraw/zinc/45/67/80/565456780.db2.gz ZNHOTQZOUGUWCP-RNCFNFMXSA-N 1 0 389.212 2.646 20 0 GFADRO [NH3+][C@@H]1CN(C(=O)Nc2cc(Cl)ccc2I)CC[C@H]1F ZINC000595233167 565457095 /nfs/dbraw/zinc/45/70/95/565457095.db2.gz XAAJXDLHMBWTRT-PSASIEDQSA-N 1 0 397.619 2.848 20 0 GFADRO CC1(C)[NH2+]CC[C@H]1NC(=O)Nc1ccc(I)cc1F ZINC000595235454 565457172 /nfs/dbraw/zinc/45/71/72/565457172.db2.gz GGSFVZRAXSKUJW-LLVKDONJSA-N 1 0 377.201 2.692 20 0 GFADRO CN(CC(C)(C)[NH3+])C(=O)Nc1cc(F)c(F)cc1I ZINC000595236025 565457174 /nfs/dbraw/zinc/45/71/74/565457174.db2.gz NHBZAZWYSWLDMA-UHFFFAOYSA-N 1 0 383.180 2.770 20 0 GFADRO FC1(F)C[C@H]1OCCNc1ncc(Cl)c(NCCO[C@H]2CC2(F)F)n1 ZINC000664309281 565459329 /nfs/dbraw/zinc/45/93/29/565459329.db2.gz HZOTUWUMWOALOZ-VHSXEESVSA-N 1 0 384.761 2.802 20 0 GFADRO CN(CC(C)(C)[NH3+])C(=O)NCc1ccc(Cl)cc1I ZINC000595274538 565460446 /nfs/dbraw/zinc/46/04/46/565460446.db2.gz ZHRQDGYFULZLCB-UHFFFAOYSA-N 1 0 395.672 2.823 20 0 GFADRO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)c1nc(C2CC2)ncc1Br ZINC000664396676 565462639 /nfs/dbraw/zinc/46/26/39/565462639.db2.gz MXLKBCPICYSYGW-LBPRGKRZSA-N 1 0 381.318 2.967 20 0 GFADRO C[NH+](C)CCN(C(=O)c1ccc(Cl)c(NS(C)(=O)=O)c1)C1CCCC1 ZINC000622416327 565470921 /nfs/dbraw/zinc/47/09/21/565470921.db2.gz JECAAOINNBIIIG-UHFFFAOYSA-N 1 0 387.933 2.658 20 0 GFADRO COc1ncc(Br)cc1CN1C[C@@H](SC)[C@@H]([NH+]2CCCC2)C1 ZINC000595433947 565478038 /nfs/dbraw/zinc/47/80/38/565478038.db2.gz XEPJYACBUYSKNW-LSDHHAIUSA-N 1 0 386.359 2.864 20 0 GFADRO COc1cccc(C[NH2+]C[C@@H](O)COc2cc(F)cc(Br)c2)n1 ZINC000644533223 565480641 /nfs/dbraw/zinc/48/06/41/565480641.db2.gz ZSZNBWOXIBBSIZ-CQSZACIVSA-N 1 0 385.233 2.521 20 0 GFADRO O[C@@H](C[NH2+]CCN1Cc2ccccc2C1)COc1cccc(Br)c1 ZINC000644527637 565480804 /nfs/dbraw/zinc/48/08/04/565480804.db2.gz CSIPMVWWNAJIAZ-SFHVURJKSA-N 1 0 391.309 2.794 20 0 GFADRO COc1cc([C@H](C)[NH2+][C@H]2CC[C@](O)(C(F)(F)F)C2)ccc1S(C)(=O)=O ZINC000644553078 565481827 /nfs/dbraw/zinc/48/18/27/565481827.db2.gz JUGHKAFGPLPIOU-ITDIGPHOSA-N 1 0 381.416 2.595 20 0 GFADRO C[C@@H](C[NH2+]C[C@@H](c1ccc(Cl)cc1)N1CCOC(C)(C)C1)S(C)(=O)=O ZINC000644545419 565481923 /nfs/dbraw/zinc/48/19/23/565481923.db2.gz VAHSUKQWMJJYSU-YOEHRIQHSA-N 1 0 388.961 2.515 20 0 GFADRO CN(C)[C@@]1(C[NH2+]C[C@@H](O)COc2ccc(Cl)c(Cl)c2)CCSC1 ZINC000644583378 565482572 /nfs/dbraw/zinc/48/25/72/565482572.db2.gz YICSDXOQYCSTFC-MLGOLLRUSA-N 1 0 379.353 2.760 20 0 GFADRO CN1Cc2ccccc2[C@H]([NH2+]C[C@@H](O)COc2cccc(Br)c2)C1 ZINC000644609824 565485469 /nfs/dbraw/zinc/48/54/69/565485469.db2.gz LMMOCSSOQXKOAX-VQIMIIECSA-N 1 0 391.309 2.965 20 0 GFADRO Cc1ccc(Cl)c(OC[C@@H](O)C[NH2+]Cc2ccc(S(C)(=O)=O)s2)c1 ZINC000644630969 565486215 /nfs/dbraw/zinc/48/62/15/565486215.db2.gz MQCUGSHBMIOLTJ-LBPRGKRZSA-N 1 0 389.926 2.643 20 0 GFADRO COC[C@H](C)OC[C@H](O)C[NH2+][C@@H]1CCc2c1ccc(F)c2Br ZINC000644661327 565487925 /nfs/dbraw/zinc/48/79/25/565487925.db2.gz UZSLIUOJQYEJCE-FIXISWKDSA-N 1 0 376.266 2.578 20 0 GFADRO COc1cccc2c1C[C@H]([NH2+]C[C@@H](O)COc1ccc(Br)cc1)C2 ZINC000644668778 565488881 /nfs/dbraw/zinc/48/88/81/565488881.db2.gz JLEWVEAUDGEIDG-HZPDHXFCSA-N 1 0 392.293 2.954 20 0 GFADRO OC[C@H]([NH2+]Cc1coc(-c2ccc(Br)cc2)n1)[C@@H]1CCCOC1 ZINC000665194203 565492561 /nfs/dbraw/zinc/49/25/61/565492561.db2.gz BRQVFBWUYNFQQY-CJNGLKHVSA-N 1 0 381.270 2.981 20 0 GFADRO COC(=O)[C@@H](c1cccc(Cl)c1Cl)N(C)C[C@H](O)C[N@H+](C)C1CC1 ZINC000595848999 565493923 /nfs/dbraw/zinc/49/39/23/565493923.db2.gz LDFPXULZVPOCMI-MLGOLLRUSA-N 1 0 375.296 2.594 20 0 GFADRO Cc1nc(C(=O)Nc2cc(Br)ccc2N(C)CC[NH+](C)C)co1 ZINC000644834655 565496629 /nfs/dbraw/zinc/49/66/29/565496629.db2.gz ILOSKCOPYSZFMI-UHFFFAOYSA-N 1 0 381.274 2.996 20 0 GFADRO COC(=O)[C@@H]1C[NH2+]CCCN1Cc1cc(Cl)c(C)cc1Br ZINC000595895699 565496807 /nfs/dbraw/zinc/49/68/07/565496807.db2.gz SQHXYSPTRJHNNY-AWEZNQCLSA-N 1 0 375.694 2.748 20 0 GFADRO COC(=O)[C@@H](c1cccc(Br)c1)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000595907813 565497587 /nfs/dbraw/zinc/49/75/87/565497587.db2.gz YQGJALZURSXSGH-DLBZAZTESA-N 1 0 399.329 2.706 20 0 GFADRO COC(=O)[C@H](c1ccccc1Br)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000595904725 565497835 /nfs/dbraw/zinc/49/78/35/565497835.db2.gz BUKXXBMMFCCTIA-YOEHRIQHSA-N 1 0 399.329 2.706 20 0 GFADRO [NH3+]C[C@@H](NC(=O)N1CCc2ccc(F)c(Br)c2C1)C(F)(F)F ZINC000623179084 565499062 /nfs/dbraw/zinc/49/90/62/565499062.db2.gz WBCWLDHKWCYALT-SNVBAGLBSA-N 1 0 384.171 2.546 20 0 GFADRO O=C(CC[C@@H]1CC[NH2+]C1)NCc1cc(Cl)ccc1I ZINC000595937562 565500267 /nfs/dbraw/zinc/50/02/67/565500267.db2.gz GOEOVUWZLLCEBY-SNVBAGLBSA-N 1 0 392.668 2.951 20 0 GFADRO Cc1ccc(NC(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)cc1Br ZINC000665449074 565500486 /nfs/dbraw/zinc/50/04/86/565500486.db2.gz UFCGEIHMQGYWPY-OAHLLOKOSA-N 1 0 382.302 2.820 20 0 GFADRO CSCC[C@@H](NC(=O)c1ccccc1Cl)C(=O)NCC1([NH3+])CCCC1 ZINC000595942793 565501381 /nfs/dbraw/zinc/50/13/81/565501381.db2.gz ZDYTUIZQIFVVMI-OAHLLOKOSA-N 1 0 383.945 2.579 20 0 GFADRO Cc1sc2nc(CS[C@@H](C)C(=O)N[C@@]3(C)CC[NH2+]C3)[nH]c(=O)c2c1C ZINC000595991416 565504829 /nfs/dbraw/zinc/50/48/29/565504829.db2.gz IOUWAGCIEFNPAS-GTNSWQLSSA-N 1 0 380.539 2.504 20 0 GFADRO C[C@H](CNC(=O)c1cc(Br)c2c(c1)OCCO2)C[NH+]1CCCC1 ZINC000623356048 565505181 /nfs/dbraw/zinc/50/51/81/565505181.db2.gz ZALKFDJYMKXTJG-GFCCVEGCSA-N 1 0 383.286 2.682 20 0 GFADRO COc1ncc(Br)cc1CNC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000623369232 565505762 /nfs/dbraw/zinc/50/57/62/565505762.db2.gz VCVVVIUTFOQQOT-UHFFFAOYSA-N 1 0 385.306 2.525 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000665628244 565506601 /nfs/dbraw/zinc/50/66/01/565506601.db2.gz HZKKCMYWNPYWJH-HNNXBMFYSA-N 1 0 382.302 2.820 20 0 GFADRO COC(=O)[C@@H](NC1CC[NH+]([C@H]2CCOC2)CC1)c1ccccc1Br ZINC000596048311 565509504 /nfs/dbraw/zinc/50/95/04/565509504.db2.gz UFSHTCOGEABSAW-YOEHRIQHSA-N 1 0 397.313 2.506 20 0 GFADRO Cn1ncc(C(F)(F)F)c1CNC(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000623408864 565509568 /nfs/dbraw/zinc/50/95/68/565509568.db2.gz HINSZCXANYVCIG-GFCCVEGCSA-N 1 0 375.420 2.603 20 0 GFADRO CN(CC[NH+](C)C)C(=O)NCc1c(F)c(F)c(Br)c(F)c1F ZINC000645045437 565510236 /nfs/dbraw/zinc/51/02/36/565510236.db2.gz TZXYPPHUTDEQEW-UHFFFAOYSA-N 1 0 386.187 2.709 20 0 GFADRO O[C@@H](C[NH2+]CCc1ccc(I)cc1)COc1ccccc1 ZINC000596065836 565512143 /nfs/dbraw/zinc/51/21/43/565512143.db2.gz VQZOCHXNMCNYPX-INIZCTEOSA-N 1 0 397.256 2.863 20 0 GFADRO COc1ncc(Br)cc1CNC(=O)NC[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000623601811 565520588 /nfs/dbraw/zinc/52/05/88/565520588.db2.gz RAKKYCBTRXYOIK-CHWSQXEVSA-N 1 0 399.333 2.772 20 0 GFADRO Cc1nn(-c2ccccc2Br)cc1C[NH2+]C[C@H](O)[C@H]1CCCO1 ZINC000623620253 565520620 /nfs/dbraw/zinc/52/06/20/565520620.db2.gz LCLFFLIROUHDMK-DLBZAZTESA-N 1 0 380.286 2.573 20 0 GFADRO COc1cc(CNC(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c(Br)cc1O ZINC000645354117 565521358 /nfs/dbraw/zinc/52/13/58/565521358.db2.gz OEMAQHGQXPNZCE-ZYHUDNBSSA-N 1 0 398.301 2.588 20 0 GFADRO Fc1ccc(C[NH2+][C@H]2CCN(c3ccc4nncn4n3)C2)c(Cl)c1Cl ZINC000623651786 565523186 /nfs/dbraw/zinc/52/31/86/565523186.db2.gz VFGRHBPOZLABFP-NSHDSACASA-N 1 0 381.242 2.939 20 0 GFADRO Cc1c([C@H](C)[NH2+]C[C@H]2CCCNC2=O)nnn1-c1cccc(Br)c1 ZINC000666188269 565526547 /nfs/dbraw/zinc/52/65/47/565526547.db2.gz YAZWNRAUMGODOO-WCQYABFASA-N 1 0 392.301 2.515 20 0 GFADRO COc1ncc(S(=O)(=O)N2CCC[C@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)cc1Cl ZINC000645486394 565530173 /nfs/dbraw/zinc/53/01/73/565530173.db2.gz KPDKBELTVDHPKH-MJBXVCDLSA-N 1 0 387.933 2.770 20 0 GFADRO C[NH+]1CCN(CCNc2nccc(-c3ccc(Br)cc3)n2)CC1 ZINC000623821687 565531579 /nfs/dbraw/zinc/53/15/79/565531579.db2.gz AFNODODEAOXTSN-UHFFFAOYSA-N 1 0 376.302 2.565 20 0 GFADRO COc1ccc(I)c(NC(=O)NCC[C@@H](C)[NH+](C)C)c1 ZINC000596707882 565532697 /nfs/dbraw/zinc/53/26/97/565532697.db2.gz JVDJPCLVXSYKKE-SNVBAGLBSA-N 1 0 391.253 2.762 20 0 GFADRO O=S(=O)(c1ncccc1C(F)(F)F)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000645524695 565534586 /nfs/dbraw/zinc/53/45/86/565534586.db2.gz ORYBHOKXIUVPKS-CYBMUJFWSA-N 1 0 377.432 2.739 20 0 GFADRO C[N@@H+]1CCC[C@H](CNS(=O)(=O)c2cc(Cl)ccc2OC(F)(F)F)C1 ZINC000645525880 565535280 /nfs/dbraw/zinc/53/52/80/565535280.db2.gz WPHDDXUYYVCOFM-SNVBAGLBSA-N 1 0 386.823 2.859 20 0 GFADRO CCN(C(=O)Nc1ccc(Br)cc1C(=O)OC)[C@@H]1CC[N@H+](C)C1 ZINC000596805080 565535623 /nfs/dbraw/zinc/53/56/23/565535623.db2.gz IPQGLKHEPPNASP-GFCCVEGCSA-N 1 0 384.274 2.794 20 0 GFADRO C[C@H]1CCCC[N@@H+]1CCNC(=O)c1cc(Br)cc2c1OCCO2 ZINC000666428584 565537932 /nfs/dbraw/zinc/53/79/32/565537932.db2.gz UKSWJYMNZFHXHO-LBPRGKRZSA-N 1 0 383.286 2.825 20 0 GFADRO C[N@@H+]1CCC[C@H](CNS(=O)(=O)CCOCC2CCC2)[C@@H]1c1cccs1 ZINC000645562615 565539271 /nfs/dbraw/zinc/53/92/71/565539271.db2.gz YAFNARPBWHOXPR-SJLPKXTDSA-N 1 0 386.583 2.867 20 0 GFADRO COCCC[C@@H]([NH2+][C@H](CO)c1ccnn1C)c1ccc(Br)cc1 ZINC000624019899 565539980 /nfs/dbraw/zinc/53/99/80/565539980.db2.gz DPRIWORKCVANFN-HZPDHXFCSA-N 1 0 382.302 2.974 20 0 GFADRO O=C(Cc1ccc(Br)cc1F)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000666515189 565540051 /nfs/dbraw/zinc/54/00/51/565540051.db2.gz UMDFLKBKAAZREA-UHFFFAOYSA-N 1 0 399.304 2.702 20 0 GFADRO C[C@@H](CCNC(=O)Nc1ccc(I)cc1F)[NH+](C)C ZINC000597023395 565548541 /nfs/dbraw/zinc/54/85/41/565548541.db2.gz UPGFVVKCOOYONF-VIFPVBQESA-N 1 0 379.217 2.892 20 0 GFADRO C[C@@H]([NH2+]C[C@H]1CN(Cc2ccncc2)CCO1)c1ccc(Br)cn1 ZINC000624264249 565549888 /nfs/dbraw/zinc/54/98/88/565549888.db2.gz WYUSMUUHDMUGOH-PBHICJAKSA-N 1 0 391.313 2.791 20 0 GFADRO COc1cc(NC(=O)N2C[C@@H](SC)[C@@H]([NH+](C)C)C2)ccc1OC(F)F ZINC000597114598 565551848 /nfs/dbraw/zinc/55/18/48/565551848.db2.gz ZSEPTIJPWAVAJF-SMDDNHRTSA-N 1 0 375.441 2.806 20 0 GFADRO CC[C@@H](C)[NH2+][C@H](CNS(=O)(=O)c1cnc(OC)c(Cl)c1)c1ccco1 ZINC000645709760 565554065 /nfs/dbraw/zinc/55/40/65/565554065.db2.gz SMILPRNIMJFUQP-BXUZGUMPSA-N 1 0 387.889 2.744 20 0 GFADRO [NH3+]C[C@@H]1CN(S(=O)(=O)Cc2cc(F)ccc2Cl)CC[C@@H]1C(F)(F)F ZINC000624391698 565554560 /nfs/dbraw/zinc/55/45/60/565554560.db2.gz BJZWGXUDBGPOIR-PWSUYJOCSA-N 1 0 388.814 2.768 20 0 GFADRO O=S(=O)(c1cc(Cl)ccc1OC(F)(F)F)N1CCn2cncc2C1 ZINC000645718714 565555267 /nfs/dbraw/zinc/55/52/67/565555267.db2.gz TVBGRJYSXWKZHA-UHFFFAOYSA-N 1 0 381.763 2.640 20 0 GFADRO C[N@@H+]1C[C@H]2CCN(S(=O)(=O)Cc3ccc(Br)cc3Cl)[C@@H]2C1 ZINC000645724268 565555297 /nfs/dbraw/zinc/55/52/97/565555297.db2.gz NUQBMURITDUCCJ-QMTHXVAHSA-N 1 0 393.734 2.568 20 0 GFADRO [NH3+]C[C@H]1CN(S(=O)(=O)Cc2cc(Cl)ccc2F)CC[C@@H]1C(F)(F)F ZINC000624392446 565555620 /nfs/dbraw/zinc/55/56/20/565555620.db2.gz RABQIBWDSKBCFE-JQWIXIFHSA-N 1 0 388.814 2.768 20 0 GFADRO [NH3+]C[C@H]1CN(S(=O)(=O)C2CCC(C(F)(F)F)CC2)CC[C@@H]1C(F)(F)F ZINC000624392688 565555707 /nfs/dbraw/zinc/55/57/07/565555707.db2.gz XFWHIPIDLZBVHX-XKGSQUFQSA-N 1 0 396.397 2.896 20 0 GFADRO Cc1nc2ccc(S(=O)(=O)N3CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C3)cc2s1 ZINC000624392692 565556059 /nfs/dbraw/zinc/55/60/59/565556059.db2.gz XHIUBDMHWCKSCQ-CMPLNLGQSA-N 1 0 393.456 2.753 20 0 GFADRO CCOC(=O)CC1([NH2+]Cc2cn3ccc(Br)cc3n2)CCOCC1 ZINC000597234941 565557092 /nfs/dbraw/zinc/55/70/92/565557092.db2.gz AOCDFJDAVXPYGW-UHFFFAOYSA-N 1 0 396.285 2.689 20 0 GFADRO CC(C)C[C@@H](C[NH+]1CCCC1)NS(=O)(=O)c1ncccc1C(F)(F)F ZINC000645740495 565557462 /nfs/dbraw/zinc/55/74/62/565557462.db2.gz MSRQIYVDXGGGQV-ZDUSSCGKSA-N 1 0 379.448 2.889 20 0 GFADRO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)c1ccc(F)c(I)c1 ZINC000597700173 565570750 /nfs/dbraw/zinc/57/07/50/565570750.db2.gz MERREJMPBHZKGX-NOZJJQNGSA-N 1 0 376.213 2.595 20 0 GFADRO Cc1cc([C@@H]2CCCN2C(=O)NC[C@H]2COCCN2C)ccc1Br ZINC000624738751 565573102 /nfs/dbraw/zinc/57/31/02/565573102.db2.gz OMWYNARKEZBTEH-RDJZCZTQSA-N 1 0 396.329 2.935 20 0 GFADRO CN1CC[NH+]([C@H]2CC[C@@H](NC(=O)c3cccc(F)c3Br)CC2)CC1 ZINC000645982482 565580332 /nfs/dbraw/zinc/58/03/32/565580332.db2.gz POZREAYAAZXNMI-OKILXGFUSA-N 1 0 398.320 2.877 20 0 GFADRO CO[C@@H]1CC[C@@H](C(=O)Nc2cc(Br)ccc2N2CC[NH+](C)CC2)C1 ZINC000667350277 565582555 /nfs/dbraw/zinc/58/25/55/565582555.db2.gz BAJOMPVPTMWPPE-UKRRQHHQSA-N 1 0 396.329 2.955 20 0 GFADRO CCCCc1nc2cc(NC(=O)c3sccc3S(N)(=O)=O)ccc2[nH]1 ZINC000667370846 565583443 /nfs/dbraw/zinc/58/34/43/565583443.db2.gz MMAODVOKBGLUIB-UHFFFAOYSA-N 1 0 378.479 2.867 20 0 GFADRO CCO[C@@H](CS(=O)(=O)NCC1CC[NH+](Cc2cccs2)CC1)C1CC1 ZINC000624939122 565584052 /nfs/dbraw/zinc/58/40/52/565584052.db2.gz FRGWWWPSWMEATL-SFHVURJKSA-N 1 0 386.583 2.695 20 0 GFADRO CCc1nc(C(=O)NC2CC([NH+](C)C)C2)nn1-c1c(Cl)cccc1Cl ZINC000646106881 565585808 /nfs/dbraw/zinc/58/58/08/565585808.db2.gz DLJLBQHHCSVZOU-UHFFFAOYSA-N 1 0 382.295 2.959 20 0 GFADRO Cc1cc(Br)c(F)cc1S(=O)(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000624962219 565585799 /nfs/dbraw/zinc/58/57/99/565585799.db2.gz MQOZDMRZUDCVJJ-LLVKDONJSA-N 1 0 379.295 2.611 20 0 GFADRO CC(C)[C@@H]([NH2+]CC(=O)Nc1ccc(Br)cn1)C1(CO)CC=CC1 ZINC000646084919 565586572 /nfs/dbraw/zinc/58/65/72/565586572.db2.gz CUOMXBOVAHYSHZ-MRXNPFEDSA-N 1 0 382.302 2.726 20 0 GFADRO COc1cc(OC)c(NC(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)cc1Br ZINC000667436305 565586935 /nfs/dbraw/zinc/58/69/35/565586935.db2.gz WDDIOTXBRPBCFO-GXFFZTMASA-N 1 0 384.274 2.682 20 0 GFADRO CCN(C(=O)c1cccc(F)c1I)[C@H]1CC[N@H+](CC)C1 ZINC000598042032 565590822 /nfs/dbraw/zinc/59/08/22/565590822.db2.gz VBUKEZAXLNHBPD-NSHDSACASA-N 1 0 390.240 2.987 20 0 GFADRO C[C@@H](Cc1c(Cl)cccc1Cl)NC(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000646273308 565593231 /nfs/dbraw/zinc/59/32/31/565593231.db2.gz PQDRWRAPYBSKSG-RYUDHWBXSA-N 1 0 382.295 2.698 20 0 GFADRO O=C(Nc1cc(Cl)c(Cl)cc1Cl)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000667538381 565593467 /nfs/dbraw/zinc/59/34/67/565593467.db2.gz CQQCUXIOVBESBS-AMIZOPFISA-N 1 0 376.671 2.796 20 0 GFADRO CCOc1c(Cl)cc(NC(=O)C(=O)N2CC[C@H]([NH3+])[C@@H](CC)C2)cc1Cl ZINC000667546580 565593793 /nfs/dbraw/zinc/59/37/93/565593793.db2.gz MRNKCOAEORDEOJ-HZMBPMFUSA-N 1 0 388.295 2.916 20 0 GFADRO CC[C@@H]1CN(C(=O)C(=O)Nc2ccc(Cl)cc2Br)CC[C@@H]1[NH3+] ZINC000667550664 565594622 /nfs/dbraw/zinc/59/46/22/565594622.db2.gz QPTDGIUBMKLNEJ-SKDRFNHKSA-N 1 0 388.693 2.627 20 0 GFADRO O=C(c1cc(Br)cc2c1OCCO2)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000667608695 565596796 /nfs/dbraw/zinc/59/67/96/565596796.db2.gz MZTAOOHCLHRPKX-AWEZNQCLSA-N 1 0 395.297 2.921 20 0 GFADRO O=C(Nc1cccc(Br)c1)C(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000667637694 565597605 /nfs/dbraw/zinc/59/76/05/565597605.db2.gz BARYPBJRVFSDBU-KGLIPLIRSA-N 1 0 394.313 2.626 20 0 GFADRO O=C(c1cc(-c2ccc(Br)cc2)n[nH]1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000646344530 565599054 /nfs/dbraw/zinc/59/90/54/565599054.db2.gz LZEBPZMRUSVHFV-BLLLJJGKSA-N 1 0 375.270 2.663 20 0 GFADRO CCCN(CC(=O)Nc1ccc(Cl)cc1Cl)C(=O)CCOC1C[NH2+]C1 ZINC000646394061 565601087 /nfs/dbraw/zinc/60/10/87/565601087.db2.gz UJBGEJVZZNSAAF-UHFFFAOYSA-N 1 0 388.295 2.549 20 0 GFADRO O=C(c1cn(-c2ccc(Br)cc2)cn1)N1CCC2(CC[NH2+]C2)CC1 ZINC000646371491 565601094 /nfs/dbraw/zinc/60/10/94/565601094.db2.gz CABSMMDAPMGJEV-UHFFFAOYSA-N 1 0 389.297 2.851 20 0 GFADRO NC(=O)CC[C@@H]1CCC[N@@H+]([C@@H]2CCc3cc(Br)ccc3NC2=O)C1 ZINC000625130878 565601230 /nfs/dbraw/zinc/60/12/30/565601230.db2.gz JWUJFANOFGNLJC-BLLLJJGKSA-N 1 0 394.313 2.680 20 0 GFADRO O[C@H]1CCC[C@@H]1[NH+]1CCN(Cc2ccc(Br)c(F)c2F)CC1 ZINC000625135365 565602639 /nfs/dbraw/zinc/60/26/39/565602639.db2.gz KUFOWHGCDWLNIK-KBPBESRZSA-N 1 0 375.257 2.758 20 0 GFADRO O=C(NCCOc1cccc(Br)c1)Nc1cnc2c(c1)C[NH2+]CC2 ZINC000667793602 565606631 /nfs/dbraw/zinc/60/66/31/565606631.db2.gz GRNCENPFKDECRG-UHFFFAOYSA-N 1 0 391.269 2.690 20 0 GFADRO O=C(NCc1ccc(Br)c(F)c1)Nc1cnc2c(c1)C[NH2+]CC2 ZINC000667795724 565606738 /nfs/dbraw/zinc/60/67/38/565606738.db2.gz NECWYQALLOKBNC-UHFFFAOYSA-N 1 0 379.233 2.951 20 0 GFADRO CCC[N@@H+]1CC[C@H](NC(=O)c2cc(F)c(F)cc2I)C1 ZINC000598341399 565609695 /nfs/dbraw/zinc/60/96/95/565609695.db2.gz ASZHIQPCZQNPQM-VIFPVBQESA-N 1 0 394.203 2.784 20 0 GFADRO CC(C)[NH2+]CCCNC(=O)[C@H](NC(=O)c1ccccc1Br)C(C)C ZINC000646690918 565614441 /nfs/dbraw/zinc/61/44/41/565614441.db2.gz HGZNBXFTBMJQIV-MRXNPFEDSA-N 1 0 398.345 2.708 20 0 GFADRO O=C(CNC(=O)C1CC[NH+]([C@H]2CCSC2)CC1)Nc1ccc(Cl)cc1 ZINC000646736799 565616915 /nfs/dbraw/zinc/61/69/15/565616915.db2.gz XNFMRMMYJAIYCF-INIZCTEOSA-N 1 0 381.929 2.612 20 0 GFADRO CCCN(C(=O)C(=O)Nc1ccc(Br)cc1CC)[C@@H]1CC[N@H+](C)C1 ZINC000646765577 565617465 /nfs/dbraw/zinc/61/74/65/565617465.db2.gz FTYQAQSPLSSPDT-OAHLLOKOSA-N 1 0 396.329 2.893 20 0 GFADRO C[C@@H](CNC(=O)c1cc(Br)cc2[nH]c(=O)[nH]c21)[NH+]1CCC(C)CC1 ZINC000646775819 565617581 /nfs/dbraw/zinc/61/75/81/565617581.db2.gz VDFHDPODJMDMNF-NSHDSACASA-N 1 0 395.301 2.881 20 0 GFADRO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)CCCc1cccc(Br)c1 ZINC000668041783 565623662 /nfs/dbraw/zinc/62/36/62/565623662.db2.gz ZWVLKGVFGOWLFQ-HUUCEWRRSA-N 1 0 383.330 2.685 20 0 GFADRO C[C@@H](C[NH+]1CCOCC1)C(=O)NCC1(c2ccccc2Br)CCC1 ZINC000646971936 565629709 /nfs/dbraw/zinc/62/97/09/565629709.db2.gz RVPZNGNSIASIRY-HNNXBMFYSA-N 1 0 395.341 2.955 20 0 GFADRO Cc1ccc(S(=O)(=O)NC[C@@H]2CCCC[N@@H+](C)C2)c(Br)c1 ZINC000625420771 565630213 /nfs/dbraw/zinc/63/02/13/565630213.db2.gz SAOBOTBVGUOPSG-ZDUSSCGKSA-N 1 0 375.332 2.768 20 0 GFADRO [NH3+][C@]12CCC[C@@H]1CN(C(=O)c1ccc(Cl)c(I)c1)C2 ZINC000598669684 565633902 /nfs/dbraw/zinc/63/39/02/565633902.db2.gz MLQFKVOBVABIEH-YGRLFVJLSA-N 1 0 390.652 2.898 20 0 GFADRO O=C1Nc2ccc(Br)cc2CC[C@@H]1[NH+]1CCC(C2(O)CC2)CC1 ZINC000625510863 565634642 /nfs/dbraw/zinc/63/46/42/565634642.db2.gz XVLPRLIUECKLPI-INIZCTEOSA-N 1 0 379.298 2.939 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2c[nH]c3ccc(Br)cc23)CC1 ZINC000647076888 565635750 /nfs/dbraw/zinc/63/57/50/565635750.db2.gz DFCYOONIYROYFR-WBVHZDCISA-N 1 0 392.297 2.899 20 0 GFADRO CC[C@H](C)[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)N[C@H](CC[NH3+])C(F)F ZINC000647070435 565635829 /nfs/dbraw/zinc/63/58/29/565635829.db2.gz GREDEOQRFLYIBO-ZLKJLUDKSA-N 1 0 375.847 2.583 20 0 GFADRO COC[C@@H]([NH2+][C@@H]1CCc2cc(Br)ccc2NC1=O)C1CCOCC1 ZINC000625531086 565636593 /nfs/dbraw/zinc/63/65/93/565636593.db2.gz ONUJDVJDFRNJSQ-IAGOWNOFSA-N 1 0 397.313 2.734 20 0 GFADRO COc1cc(F)c(S(=O)(=O)N(CC[NH+](C)C)Cc2ccsc2)c(F)c1 ZINC000668273375 565637510 /nfs/dbraw/zinc/63/75/10/565637510.db2.gz TXNXHOBNHXGKFI-UHFFFAOYSA-N 1 0 390.477 2.787 20 0 GFADRO O=C1[C@H](c2nc([C@@H]3CCC[NH2+]3)no2)CCN1c1ccccc1Br ZINC000647152850 565642049 /nfs/dbraw/zinc/64/20/49/565642049.db2.gz OMVBSBZBXIIDIG-JQWIXIFHSA-N 1 0 377.242 2.777 20 0 GFADRO O=C1C[C@@H](c2nc([C@@H]3CCC[NH2+]3)no2)CN1c1ccccc1Br ZINC000647152319 565642190 /nfs/dbraw/zinc/64/21/90/565642190.db2.gz AQOAKHROPGADJZ-PWSUYJOCSA-N 1 0 377.242 2.777 20 0 GFADRO COc1ccccc1[C@@H]([NH3+])CNS(=O)(=O)Cc1cccc(Br)c1 ZINC000647187333 565643931 /nfs/dbraw/zinc/64/39/31/565643931.db2.gz KHVZQUOCMTUASV-HNNXBMFYSA-N 1 0 399.310 2.577 20 0 GFADRO OC[C@@H]([NH2+]Cc1cc(OC(F)F)ccc1Br)C1CCOCC1 ZINC000647200451 565645500 /nfs/dbraw/zinc/64/55/00/565645500.db2.gz IIDRFPCYUIZTLK-CQSZACIVSA-N 1 0 380.229 2.928 20 0 GFADRO O=S(=O)(Cc1cc(Cl)ccc1Br)NC[C@@H]1CCCC[NH2+]1 ZINC000647202013 565646349 /nfs/dbraw/zinc/64/63/49/565646349.db2.gz JKEZQSPUUHYQBM-LBPRGKRZSA-N 1 0 381.723 2.664 20 0 GFADRO CC(C)[NH2+]CCCNS(=O)(=O)c1ccc2c(Br)cn(C)c2c1 ZINC000647211873 565646381 /nfs/dbraw/zinc/64/63/81/565646381.db2.gz JPJFOZWFYRHOOW-UHFFFAOYSA-N 1 0 388.331 2.607 20 0 GFADRO CCOc1cc(C[N@@H+]2CC[C@@H](Cn3ccnn3)C2)cc(Br)c1OC ZINC000668450967 565646974 /nfs/dbraw/zinc/64/69/74/565646974.db2.gz JUYGCTAFCCHBJL-CYBMUJFWSA-N 1 0 395.301 2.970 20 0 GFADRO O=C(c1cc(Br)cc2c1OCCO2)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000668442841 565647115 /nfs/dbraw/zinc/64/71/15/565647115.db2.gz SZBFFALBVPQWCF-AWEZNQCLSA-N 1 0 395.297 2.921 20 0 GFADRO CN(CC(C)(C)C[NH3+])S(=O)(=O)Cc1ccc(Br)cc1Cl ZINC000647231356 565647522 /nfs/dbraw/zinc/64/75/22/565647522.db2.gz UOHPBUQIBZQRND-UHFFFAOYSA-N 1 0 383.739 2.849 20 0 GFADRO C[NH2+]C1CCN(S(=O)(=O)Cc2ccc(Br)cc2Cl)CC1 ZINC000647219536 565647600 /nfs/dbraw/zinc/64/76/00/565647600.db2.gz LNIBGOHNAWXTES-UHFFFAOYSA-N 1 0 381.723 2.616 20 0 GFADRO O=S(=O)(c1cc(Br)ccc1F)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647237589 565648435 /nfs/dbraw/zinc/64/84/35/565648435.db2.gz HGWLWAIHTBTIMB-FZMZJTMJSA-N 1 0 391.306 2.741 20 0 GFADRO Cc1nn(C)c(CNC[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)c1Br ZINC000647249197 565649231 /nfs/dbraw/zinc/64/92/31/565649231.db2.gz ISIKHCFLZKODIM-CVEARBPZSA-N 1 0 377.330 2.926 20 0 GFADRO CN(C)C(=O)CN(CC[NH+](C)C)Cc1cc(Cl)ccc1Br ZINC000668558514 565653306 /nfs/dbraw/zinc/65/33/06/565653306.db2.gz LUUPSZZPWYHETP-UHFFFAOYSA-N 1 0 376.726 2.554 20 0 GFADRO C[NH+](C)CCN(C1CC1)S(=O)(=O)c1cc(Cl)ccc1OC(F)(F)F ZINC000647277659 565653326 /nfs/dbraw/zinc/65/33/26/565653326.db2.gz BUYDMRUXQXAQIZ-UHFFFAOYSA-N 1 0 386.823 2.953 20 0 GFADRO C[N@@H+](Cc1cc(Br)cc(Br)c1N)C[C@@H]1COCCO1 ZINC000668545049 565654404 /nfs/dbraw/zinc/65/44/04/565654404.db2.gz KYSWBSSYQNXQCM-LLVKDONJSA-N 1 0 394.107 2.641 20 0 GFADRO COC(=O)c1cnc([C@H](C)[NH2+]CC2(OCCO)CCC(F)(F)CC2)s1 ZINC000599064289 565654953 /nfs/dbraw/zinc/65/49/53/565654953.db2.gz ACKJGIGIHGIXNQ-NSHDSACASA-N 1 0 378.441 2.537 20 0 GFADRO O=C1CNC(=O)N1CCC[N@H+]1CC[C@@H](Sc2ccc(Br)cc2)C1 ZINC000625704976 565655889 /nfs/dbraw/zinc/65/58/89/565655889.db2.gz OOKUHAMXKWYGJN-CQSZACIVSA-N 1 0 398.326 2.557 20 0 GFADRO O[C@@H](Cn1cccn1)C[N@@H+]1CC[C@H](Sc2ccc(Br)cc2)C1 ZINC000625706307 565655921 /nfs/dbraw/zinc/65/59/21/565655921.db2.gz ZQQMCHFXOCMZSH-ZBFHGGJFSA-N 1 0 382.327 2.873 20 0 GFADRO O=S(=O)(c1c(F)c(F)cc(F)c1F)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647308066 565656421 /nfs/dbraw/zinc/65/64/21/565656421.db2.gz JREHCNUXTHJTDZ-WDEREUQCSA-N 1 0 380.407 2.643 20 0 GFADRO Cc1c(Br)cncc1C(=O)NCC1([NH+]2CCCCC2)CCOCC1 ZINC000668589354 565656492 /nfs/dbraw/zinc/65/64/92/565656492.db2.gz HOQFQKNQRIATLK-UHFFFAOYSA-N 1 0 396.329 2.917 20 0 GFADRO COC(=O)CCNC(=O)CC[NH2+][C@H](C)c1csc(-c2csc(C)n2)c1 ZINC000599090236 565656504 /nfs/dbraw/zinc/65/65/04/565656504.db2.gz ZBPZXPOAPZPRCY-LLVKDONJSA-N 1 0 381.523 2.900 20 0 GFADRO CC1(C)C[NH2+]CC[C@@H]1NS(=O)(=O)Cc1ccc(Br)cc1Cl ZINC000647323952 565658167 /nfs/dbraw/zinc/65/81/67/565658167.db2.gz FOIULBBOHDUYAH-ZDUSSCGKSA-N 1 0 395.750 2.910 20 0 GFADRO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CCCc1ncn(C)n1 ZINC000647325303 565658375 /nfs/dbraw/zinc/65/83/75/565658375.db2.gz BHJRWOJODWYFAG-GFCCVEGCSA-N 1 0 380.290 2.517 20 0 GFADRO CC[C@H]1C[N@H+](C)CCN1C(=O)c1cc(=O)[nH]c2ccc(Br)cc21 ZINC000647458307 565660374 /nfs/dbraw/zinc/66/03/74/565660374.db2.gz QKHZPAOTSLXVJF-LBPRGKRZSA-N 1 0 378.270 2.869 20 0 GFADRO CC[NH+]1CCN([C@H](C)CNC(=O)c2ccc(Br)c(F)c2C)CC1 ZINC000668674533 565660527 /nfs/dbraw/zinc/66/05/27/565660527.db2.gz OYNXZBBOGCHHIR-GFCCVEGCSA-N 1 0 386.309 2.652 20 0 GFADRO C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)Nc1cccc(Cl)c1SCC(F)F ZINC000647494232 565661872 /nfs/dbraw/zinc/66/18/72/565661872.db2.gz IPHGATWXFYHOOF-BDAKNGLRSA-N 1 0 379.860 2.878 20 0 GFADRO COc1cc(Br)c(CNC2CC[NH+]([C@H]3CCOC3)CC2)cc1O ZINC000668692661 565662094 /nfs/dbraw/zinc/66/20/94/565662094.db2.gz LEGSQUOCYMFXOL-AWEZNQCLSA-N 1 0 385.302 2.506 20 0 GFADRO C[C@H]1CC[C@@H](NC(=O)Nc2cc(Br)ccc2N2CCOCC2)C[NH2+]1 ZINC000625848868 565662351 /nfs/dbraw/zinc/66/23/51/565662351.db2.gz LZQRWGKAYPZEJI-GXTWGEPZSA-N 1 0 397.317 2.548 20 0 GFADRO COc1cc(Br)c(CNC2CC[NH+]([C@@H]3CCOC3)CC2)cc1O ZINC000668692662 565662524 /nfs/dbraw/zinc/66/25/24/565662524.db2.gz LEGSQUOCYMFXOL-CQSZACIVSA-N 1 0 385.302 2.506 20 0 GFADRO COc1cc(NC(=O)CC[NH2+][C@@H](C)[C@H](O)C(F)(F)F)c(OC)cc1Cl ZINC000647515014 565662907 /nfs/dbraw/zinc/66/29/07/565662907.db2.gz LMSQEDBTEPTFBG-RTHLEPHNSA-N 1 0 384.782 2.587 20 0 GFADRO C[NH2+]CCOCCN(C)C(=O)Nc1nc(SCc2ccccc2)ns1 ZINC000625868845 565663451 /nfs/dbraw/zinc/66/34/51/565663451.db2.gz PCHYTNQECPCBCB-UHFFFAOYSA-N 1 0 381.527 2.530 20 0 GFADRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)Nc1cc(Br)ccc1OCCOC ZINC000625875588 565663504 /nfs/dbraw/zinc/66/35/04/565663504.db2.gz BFRIWIFHMAQFRX-QWHCGFSZSA-N 1 0 386.290 2.736 20 0 GFADRO C[C@@H]1CC[C@@H](NC(=O)Nc2ccnn2Cc2ccc(Br)cc2)C[NH2+]1 ZINC000625880653 565664478 /nfs/dbraw/zinc/66/44/78/565664478.db2.gz HFRWVWJRUBTEMR-IUODEOHRSA-N 1 0 392.301 2.956 20 0 GFADRO CC1CC[NH+](C[C@H](O)CNC(=O)[C@H]2C[C@@H]2c2ccc(Br)cc2)CC1 ZINC000599275638 565666907 /nfs/dbraw/zinc/66/69/07/565666907.db2.gz ZIQXGXBGQDFRRP-KURKYZTESA-N 1 0 395.341 2.762 20 0 GFADRO CC1CC[NH+](C[C@H](O)CNC(=O)[C@H]2C[C@@H]2c2cccc(Br)c2)CC1 ZINC000599275582 565667641 /nfs/dbraw/zinc/66/76/41/565667641.db2.gz IGSIIBHPZAWAIV-KURKYZTESA-N 1 0 395.341 2.762 20 0 GFADRO O=C(C[NH2+][C@@H]1CCO[C@H]1c1ccc(=O)[nH]c1)Nc1ccc(Br)cc1 ZINC000625990556 565668510 /nfs/dbraw/zinc/66/85/10/565668510.db2.gz OMXYXDSGPJWSQL-PBHICJAKSA-N 1 0 392.253 2.608 20 0 GFADRO CN(C)C[C@H]([NH2+]CCN1C(=O)NC(C)(C)C1=O)c1ccc(Cl)c(Cl)c1 ZINC000625983564 565668542 /nfs/dbraw/zinc/66/85/42/565668542.db2.gz TVRSERNKIFFACO-AWEZNQCLSA-N 1 0 387.311 2.516 20 0 GFADRO Cc1cc(Br)ccc1[C@@H]1CCC[N@@H+]1C[C@H](O)CN1CCOCC1 ZINC000626009624 565669116 /nfs/dbraw/zinc/66/91/16/565669116.db2.gz NJSRKIPEDZBOHH-AEFFLSMTSA-N 1 0 383.330 2.588 20 0 GFADRO C[C@@H]1C[C@H](c2ccc(Br)cc2)C[N@@H+]1CCN1CCCS1(=O)=O ZINC000626040295 565673001 /nfs/dbraw/zinc/67/30/01/565673001.db2.gz BFZLJUIXKQMLSM-HIFRSBDPSA-N 1 0 387.343 2.662 20 0 GFADRO CS(=O)(=O)N1CCC[C@H](C[NH2+][C@H](CCO)c2cc(Cl)cc(Cl)c2)C1 ZINC000626100843 565675491 /nfs/dbraw/zinc/67/54/91/565675491.db2.gz ADEAMTVWVTUDSR-MLGOLLRUSA-N 1 0 395.352 2.678 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc(Br)cc3[nH]c(=O)[nH]c32)[C@@H](C)C1 ZINC000669124394 565678489 /nfs/dbraw/zinc/67/84/89/565678489.db2.gz OXQFPBCDCKYGDR-HZMBPMFUSA-N 1 0 395.301 2.833 20 0 GFADRO CC(C)[C@H]1CN([C@@H](C)C(=O)N(C)Cc2ccc(Br)cc2)CC[NH2+]1 ZINC000647929449 565684615 /nfs/dbraw/zinc/68/46/15/565684615.db2.gz IHWPRGQYYAJMIN-WMLDXEAASA-N 1 0 382.346 2.726 20 0 GFADRO Nc1n[nH]c(C2CC[NH+](Cc3ccc(Br)c4cccnc34)CC2)n1 ZINC000647931924 565684947 /nfs/dbraw/zinc/68/49/47/565684947.db2.gz KGBQFSCKLCRPND-UHFFFAOYSA-N 1 0 387.285 3.077 20 0 GFADRO O=C(Nc1cc(Cl)ccc1Cl)[C@H]1CCCCN1C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000647964978 565685049 /nfs/dbraw/zinc/68/50/49/565685049.db2.gz ZKWHAKZVLVTPMR-KOZAUXTDSA-N 1 0 382.291 2.778 20 0 GFADRO CC[C@@H]1CN(CC(=O)Nc2c(F)cc(F)cc2Br)CC[C@H]1[NH3+] ZINC000647938552 565685248 /nfs/dbraw/zinc/68/52/48/565685248.db2.gz PTFJSCWHDSFPRV-NOZJJQNGSA-N 1 0 376.245 2.725 20 0 GFADRO COc1cc2nc(NCc3csc(Br)c3)nc(N)c2cc1OC ZINC000599497546 565685842 /nfs/dbraw/zinc/68/58/42/565685842.db2.gz RKDBJADWRRAHSH-UHFFFAOYSA-N 1 0 395.282 3.087 20 0 GFADRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1Cc1cc(Br)c(Cl)s1 ZINC000648065296 565690145 /nfs/dbraw/zinc/69/01/45/565690145.db2.gz AEJCAFPUQCQSEB-VIFPVBQESA-N 1 0 380.739 2.716 20 0 GFADRO C[C@@H](CNC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)Oc1cccc(Br)c1 ZINC000669505838 565691415 /nfs/dbraw/zinc/69/14/15/565691415.db2.gz GXXHKCNWQMKWAH-AEGPPILISA-N 1 0 382.302 2.752 20 0 GFADRO CC[C@@H]1CN(C(=O)NC[C@H](C)Oc2ccccc2Br)CC[C@H]1[NH3+] ZINC000669518131 565691553 /nfs/dbraw/zinc/69/15/53/565691553.db2.gz KJAGYTWMQJUYRC-GZBFAFLISA-N 1 0 384.318 2.985 20 0 GFADRO CC[C@H](Cc1ccccc1Br)NC(=O)N1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000669531511 565691757 /nfs/dbraw/zinc/69/17/57/565691757.db2.gz SACWWQGAOXRTKF-BJJXKVORSA-N 1 0 384.318 2.528 20 0 GFADRO C[C@H](CNC(=O)CCn1cc(Br)cn1)[N@H+](C)Cc1ccccc1 ZINC000599630732 565693142 /nfs/dbraw/zinc/69/31/42/565693142.db2.gz BRDYGKPKNKDHFX-CQSZACIVSA-N 1 0 379.302 2.672 20 0 GFADRO CC[NH+](CC)CCOCCNC(=O)[C@H]1[C@@H]2c3cccc(Br)c3C[C@H]12 ZINC000626444971 565693187 /nfs/dbraw/zinc/69/31/87/565693187.db2.gz CRKKHVWWDYTISA-CGTJXYLNSA-N 1 0 395.341 2.809 20 0 GFADRO O=C(N[C@@H]1CCOc2c(Br)cccc21)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000669580851 565693393 /nfs/dbraw/zinc/69/33/93/565693393.db2.gz PDHXQSCFABPGOA-NILFDRSVSA-N 1 0 380.286 2.666 20 0 GFADRO O=C(NCC[C@@H]1CCC[NH2+]C1)N[C@@H]1CCOc2c(Br)cccc21 ZINC000669580756 565693524 /nfs/dbraw/zinc/69/35/24/565693524.db2.gz DMUALRCXZUVFFO-SWLSCSKDSA-N 1 0 382.302 2.962 20 0 GFADRO CC(C)[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000648187646 565693840 /nfs/dbraw/zinc/69/38/40/565693840.db2.gz VKFQJHXTLRSQOC-SWLSCSKDSA-N 1 0 383.945 2.947 20 0 GFADRO CC[C@@H]1CN(C(=O)NCc2cc(F)c(F)cc2Br)CC[C@@H]1[NH3+] ZINC000669584858 565694415 /nfs/dbraw/zinc/69/44/15/565694415.db2.gz FRVGHYCJABZTLK-OTYXRUKQSA-N 1 0 376.245 2.996 20 0 GFADRO CCc1ccccc1[C@@H]([NH3+])CNC(=O)N[C@H](C)c1ncc(Br)cn1 ZINC000669591170 565694573 /nfs/dbraw/zinc/69/45/73/565694573.db2.gz ZELXQZJBPNGJGO-ABAIWWIYSA-N 1 0 392.301 2.862 20 0 GFADRO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)CN1CC[C@@H](CO)C[C@H]1C ZINC000599675599 565696567 /nfs/dbraw/zinc/69/65/67/565696567.db2.gz SLZYEOLQRFZWPY-GHMZBOCLSA-N 1 0 389.279 2.811 20 0 GFADRO CS[C@H]1CN(C(=O)c2ccc(Br)c(F)c2F)C[C@H]1[NH+](C)C ZINC000599721722 565698696 /nfs/dbraw/zinc/69/86/96/565698696.db2.gz QIBPGRYMMKKPHR-MNOVXSKESA-N 1 0 379.270 2.845 20 0 GFADRO CS(=O)(=O)NC[C@H]1CCC[C@@H]1[NH2+]Cc1c(Cl)cccc1OC(F)F ZINC000669686541 565699648 /nfs/dbraw/zinc/69/96/48/565699648.db2.gz NAOKWTUZMQSFFO-MFKMUULPSA-N 1 0 382.860 2.749 20 0 GFADRO Cn1c(-c2ccc(Br)cc2)nnc1N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000669786248 565702140 /nfs/dbraw/zinc/70/21/40/565702140.db2.gz CLPUTEMTCRCIOU-OAHLLOKOSA-N 1 0 376.302 2.919 20 0 GFADRO C[C@H](CC(=O)NCC[N@H+](C)Cc1ccc(F)cc1)n1cc(Br)cn1 ZINC000648314260 565702819 /nfs/dbraw/zinc/70/28/19/565702819.db2.gz XUBOHIHGXOWDAV-CYBMUJFWSA-N 1 0 397.292 2.984 20 0 GFADRO CN(C(=O)c1cnn(-c2ccc(Br)cc2)c1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000599869267 565704768 /nfs/dbraw/zinc/70/47/68/565704768.db2.gz OIYNLTLCIQIQLO-QGZVFWFLSA-N 1 0 389.297 2.944 20 0 GFADRO CC(C)[N@H+](CCOCCO)CCC(=O)Nc1ccc(Br)cc1F ZINC000670108814 565715149 /nfs/dbraw/zinc/71/51/49/565715149.db2.gz LOMHVVRKJFUOMQ-UHFFFAOYSA-N 1 0 391.281 2.636 20 0 GFADRO C[C@H]1C[C@@H]([NH2+]Cc2cc(F)cc(Br)c2)C(=O)N1c1cnn(C)c1 ZINC000648464229 565715120 /nfs/dbraw/zinc/71/51/20/565715120.db2.gz OLPKKECYFMSJAA-ZUZCIYMTSA-N 1 0 381.249 2.605 20 0 GFADRO [NH3+]C1(CNC(=O)NCC2(c3cccc(Br)c3)CCC2)CCOCC1 ZINC000626946623 565715850 /nfs/dbraw/zinc/71/58/50/565715850.db2.gz UQYBHDYUWLUOOX-UHFFFAOYSA-N 1 0 396.329 2.678 20 0 GFADRO C[C@H](CCc1ccc(Br)cc1)NC(=O)NCC1([NH3+])CCOCC1 ZINC000626945947 565716147 /nfs/dbraw/zinc/71/61/47/565716147.db2.gz JTYYCUSVFZJYOS-CYBMUJFWSA-N 1 0 384.318 2.577 20 0 GFADRO C[C@](CO)([NH2+]Cc1cccc(I)c1)c1cccc(O)c1 ZINC000600181144 565716718 /nfs/dbraw/zinc/71/67/18/565716718.db2.gz LLZNVLRSKIJGIL-MRXNPFEDSA-N 1 0 383.229 2.994 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)NCc2nc(C(F)(F)F)cs2)CC[C@H]1C(F)(F)F ZINC000626984081 565717742 /nfs/dbraw/zinc/71/77/42/565717742.db2.gz FNTOYHDJFVXWKU-HTQZYQBOSA-N 1 0 390.353 2.831 20 0 GFADRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NCc1cnn(-c2ccc(Br)cc2)c1 ZINC000627020215 565719611 /nfs/dbraw/zinc/71/96/11/565719611.db2.gz CLGBTGIJKIJNKP-JKSUJKDBSA-N 1 0 392.301 2.575 20 0 GFADRO C[NH2+]CCOCCN(C)C(=O)NCC1(c2ccccc2Br)CCC1 ZINC000627041874 565720605 /nfs/dbraw/zinc/72/06/05/565720605.db2.gz RQHFZOIDYNYUKA-UHFFFAOYSA-N 1 0 398.345 2.748 20 0 GFADRO C[NH+](C)C1CC(NC(=O)[C@@H]2CCCN2C(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000670401317 565721355 /nfs/dbraw/zinc/72/13/55/565721355.db2.gz BGEDGAIQDHCTKU-ZUEPYMLJSA-N 1 0 384.307 2.807 20 0 GFADRO C[NH2+]CCOCCN(C)C(=O)NCC1(Cc2ccc(Br)cc2)CC1 ZINC000627115206 565721674 /nfs/dbraw/zinc/72/16/74/565721674.db2.gz OIMKSPPMDXJDPB-UHFFFAOYSA-N 1 0 398.345 2.649 20 0 GFADRO C[N@@H+]1CCCC[C@H](CNC(=O)c2cc(I)ccc2F)C1 ZINC000600312360 565724013 /nfs/dbraw/zinc/72/40/13/565724013.db2.gz FTYKJXAFEHPGAM-LLVKDONJSA-N 1 0 390.240 2.892 20 0 GFADRO C[C@H](CC(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C)n1cc(Br)cn1 ZINC000648743250 565725887 /nfs/dbraw/zinc/72/58/87/565725887.db2.gz SUYWURYCJNVMTL-PBHICJAKSA-N 1 0 393.329 2.886 20 0 GFADRO [NH3+]CCCOCCNC(=O)N1CCC[C@@H]1c1ccc(Br)s1 ZINC000627216070 565727369 /nfs/dbraw/zinc/72/73/69/565727369.db2.gz NWYVUJMVHNIWKD-LLVKDONJSA-N 1 0 376.320 2.723 20 0 GFADRO C[C@@H](CC(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1)n1cc(Br)cn1 ZINC000648797601 565729947 /nfs/dbraw/zinc/72/99/47/565729947.db2.gz YANSUTWYNUSGOK-GJZGRUSLSA-N 1 0 383.334 2.931 20 0 GFADRO CSc1ccc(NC(=O)C(=O)N[C@H](C)CC[NH+](C)C)cc1Br ZINC000627281597 565731547 /nfs/dbraw/zinc/73/15/47/565731547.db2.gz HVLIZXFTKAEDIB-SNVBAGLBSA-N 1 0 388.331 2.566 20 0 GFADRO O=C([C@@H]1CCCN1Cc1ccc(Cl)cc1)N1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC000600479723 565731830 /nfs/dbraw/zinc/73/18/30/565731830.db2.gz KNJUKHMTPYIGDU-DARXCPHJSA-N 1 0 380.941 2.816 20 0 GFADRO O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)[C@H]1CCc2cc(Br)ccc21 ZINC000648825128 565732681 /nfs/dbraw/zinc/73/26/81/565732681.db2.gz XIQOSZIADTZZAI-AEFFLSMTSA-N 1 0 393.325 2.848 20 0 GFADRO CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)NCCSc1ccc(Cl)cc1 ZINC000670677706 565736508 /nfs/dbraw/zinc/73/65/08/565736508.db2.gz KIQBSCCILLPYIH-OAHLLOKOSA-N 1 0 383.945 2.539 20 0 GFADRO O=C(N[C@@H](CO)C[NH+]1CCCCC1)c1cc2c(cncc2Br)s1 ZINC000648899791 565738517 /nfs/dbraw/zinc/73/85/17/565738517.db2.gz ZZRQFMKCUJOFHZ-LLVKDONJSA-N 1 0 398.326 2.635 20 0 GFADRO Cc1c(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)cnn1-c1cccc(Br)c1 ZINC000627650492 565745046 /nfs/dbraw/zinc/74/50/46/565745046.db2.gz KPOUGTBZBOSAJE-FVQHAEBGSA-N 1 0 389.297 2.575 20 0 GFADRO C[NH+](C)[C@@H]1[C@H]2CN(C(=O)c3cc(-c4cccc(Br)c4)no3)C[C@H]21 ZINC000627656322 565745070 /nfs/dbraw/zinc/74/50/70/565745070.db2.gz CGTZFCFCAGCBGW-VIKVFOODSA-N 1 0 376.254 2.736 20 0 GFADRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)CCCc1cc(Cl)sc1Cl ZINC000649074894 565746357 /nfs/dbraw/zinc/74/63/57/565746357.db2.gz ROAJYHYYWIWXEQ-NSHDSACASA-N 1 0 392.352 2.956 20 0 GFADRO O=C(c1c(F)cccc1Br)N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000627740238 565748922 /nfs/dbraw/zinc/74/89/22/565748922.db2.gz HJYFVXGMNDUXAC-UHFFFAOYSA-N 1 0 385.277 2.915 20 0 GFADRO CCOC(=O)COc1c(Br)cc(C)cc1CN[C@H]1CC[C@H](C)[NH2+]C1 ZINC000600773365 565749282 /nfs/dbraw/zinc/74/92/82/565749282.db2.gz HBPXWRAHDRXURU-ZFWWWQNUSA-N 1 0 399.329 2.930 20 0 GFADRO C[NH+]1CCC2(CC1)CN(C(=O)CCc1cccc(F)c1Br)CCO2 ZINC000649129028 565749833 /nfs/dbraw/zinc/74/98/33/565749833.db2.gz JIMSUXHVPNUTSK-UHFFFAOYSA-N 1 0 399.304 2.844 20 0 GFADRO CC[C@@H](Cn1cncn1)[NH2+]C[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000671116940 565752547 /nfs/dbraw/zinc/75/25/47/565752547.db2.gz XVOKEKWNAKQZTQ-ZBFHGGJFSA-N 1 0 378.318 2.935 20 0 GFADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)N1CCC[C@H]1c1cccc(Br)c1 ZINC000600905207 565756530 /nfs/dbraw/zinc/75/65/30/565756530.db2.gz FMDSFGUOTUXEAN-IRXDYDNUSA-N 1 0 395.345 2.541 20 0 GFADRO O=C(N1CCCC1)[C@]1(O)CCC[N@H+](Cc2cnc(-c3ccsc3)s2)C1 ZINC000671494425 565768784 /nfs/dbraw/zinc/76/87/84/565768784.db2.gz NTKHVQOMZHDZRD-SFHVURJKSA-N 1 0 377.535 2.821 20 0 GFADRO O=C(C[N@@H+]1CCC12CCCC2)NCC(=O)Nc1ccccc1Br ZINC000649657397 565771177 /nfs/dbraw/zinc/77/11/77/565771177.db2.gz ZGBZXAVJPUOUIK-UHFFFAOYSA-N 1 0 380.286 2.522 20 0 GFADRO COC(=O)c1sc2ccccc2c1S(=O)(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000601344886 565776882 /nfs/dbraw/zinc/77/68/82/565776882.db2.gz HRLPHGSQIWVSKN-LBPRGKRZSA-N 1 0 382.507 2.580 20 0 GFADRO CNC(=O)[C@H]1CCC[C@@H]1[NH2+]Cc1cc2c(cc1Br)OCCCO2 ZINC000671627976 565777008 /nfs/dbraw/zinc/77/70/08/565777008.db2.gz XEWCHRCPBAXOCM-JSGCOSHPSA-N 1 0 383.286 2.615 20 0 GFADRO COC[C@H]1C[C@@H](O)C[N@@H+]1CC(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000649762647 565777304 /nfs/dbraw/zinc/77/73/04/565777304.db2.gz SKGRZRLCDLYYCB-CKEIUWERSA-N 1 0 387.307 2.739 20 0 GFADRO COc1c[nH+]ccc1N1CCN(Cc2cc(C)c(Br)cn2)CC1 ZINC000628256946 565780926 /nfs/dbraw/zinc/78/09/26/565780926.db2.gz SMMNJPGJPKJSSJ-UHFFFAOYSA-N 1 0 377.286 2.878 20 0 GFADRO CCC1([NH+]2CCCC2)CCN(S(=O)(=O)c2ccsc2C(=O)OC)CC1 ZINC000601497489 565787466 /nfs/dbraw/zinc/78/74/66/565787466.db2.gz YORNHZFVNBUZRG-UHFFFAOYSA-N 1 0 386.539 2.564 20 0 GFADRO O=C(c1cc(F)ccc1I)N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000601555371 565791557 /nfs/dbraw/zinc/79/15/57/565791557.db2.gz FEGQNNMSKHIFFU-HZMBPMFUSA-N 1 0 388.224 2.644 20 0 GFADRO Cn1ncc2c1nc(CN1CC[C@@H](c3cccc(Br)c3)C1)[nH]c2=O ZINC000650009834 565792205 /nfs/dbraw/zinc/79/22/05/565792205.db2.gz CZBOIJRRINJXLE-GFCCVEGCSA-N 1 0 388.269 2.821 20 0 GFADRO O[C@H]1CCC[C@H]1[NH+]1CCN(c2ccc(Br)c(C(F)(F)F)n2)CC1 ZINC000672207506 565798803 /nfs/dbraw/zinc/79/88/03/565798803.db2.gz PAPWLOMFDZPWPG-NEPJUHHUSA-N 1 0 394.235 2.898 20 0 GFADRO C[C@H]1C[C@@H](C(=O)N[C@]2(CO)CCc3cc(Br)ccc3C2)CC[N@@H+]1C ZINC000628683301 565804013 /nfs/dbraw/zinc/80/40/13/565804013.db2.gz SYDPGZPGICIXIV-ZUEVXXBESA-N 1 0 395.341 2.515 20 0 GFADRO C[N@@H+]1CCCC[C@@H](CNC(=O)C[C@@H]2Sc3ccc(Cl)cc3NC2=O)C1 ZINC000628741945 565805388 /nfs/dbraw/zinc/80/53/88/565805388.db2.gz QDVFMHJFMTUNIQ-LRDDRELGSA-N 1 0 381.929 2.991 20 0 GFADRO C[N@@H+]1CCCC[C@@H](CNC(=O)c2cc(=O)c3cc(Br)ccc3[nH]2)C1 ZINC000628749527 565805772 /nfs/dbraw/zinc/80/57/72/565805772.db2.gz JASOFJBXQILEPV-LBPRGKRZSA-N 1 0 392.297 2.752 20 0 GFADRO CC[C@@H](C[NH+]1CCCC1)NS(=O)(=O)Cc1cccc(Br)c1 ZINC000672389526 565806488 /nfs/dbraw/zinc/80/64/88/565806488.db2.gz XBEWTOJTJUGBNT-HNNXBMFYSA-N 1 0 375.332 2.743 20 0 GFADRO Cc1nc(CS(=O)(=O)N2CC[N@H+](Cc3ccccc3)C[C@H](C)C2)cs1 ZINC000650224871 565807245 /nfs/dbraw/zinc/80/72/45/565807245.db2.gz AQNNGBVAMGXPLC-HNNXBMFYSA-N 1 0 379.551 2.735 20 0 GFADRO [NH3+]CC[C@H]1CCCN(c2ncnc3cc(I)sc32)C1 ZINC000601981241 565812930 /nfs/dbraw/zinc/81/29/30/565812930.db2.gz SRCVRRJSOODGFN-SECBINFHSA-N 1 0 388.278 2.861 20 0 GFADRO C[C@H](NC(=O)N1CC[N@H+](CCO)C(C)(C)C1)c1ccc(Br)cc1 ZINC000672679870 565814181 /nfs/dbraw/zinc/81/41/81/565814181.db2.gz WDKBQQCMWBVPQJ-ZDUSSCGKSA-N 1 0 384.318 2.608 20 0 GFADRO COC(=O)c1ccc(C[NH2+]Cc2cc3c(c(Br)c2)OCO3)n1C ZINC000602004607 565814629 /nfs/dbraw/zinc/81/46/29/565814629.db2.gz GIVGHYHHRXRVCO-UHFFFAOYSA-N 1 0 381.226 2.593 20 0 GFADRO C[NH+](C)C[C@H](NC(=O)CCCCNC(N)=O)c1ccc(Cl)c(Cl)c1 ZINC000628968760 565816868 /nfs/dbraw/zinc/81/68/68/565816868.db2.gz OMFUGXZRFHOYGQ-AWEZNQCLSA-N 1 0 375.300 2.551 20 0 GFADRO C[NH+](C)C[C@@H](NC(=O)c1cn2c(n1)COCC2)c1ccc(Cl)c(Cl)c1 ZINC000628969203 565817385 /nfs/dbraw/zinc/81/73/85/565817385.db2.gz ODLPMHGRYXJCRW-CQSZACIVSA-N 1 0 383.279 2.753 20 0 GFADRO CO[C@@H](C(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1)c1cnn(C)c1 ZINC000628969263 565817636 /nfs/dbraw/zinc/81/76/36/565817636.db2.gz QAYDGILUCLHZEW-HZPDHXFCSA-N 1 0 385.295 2.834 20 0 GFADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)c3cnc4ncc(Br)cc4c3)[C@@H]2C1 ZINC000672939219 565822674 /nfs/dbraw/zinc/82/26/74/565822674.db2.gz PLTWNKGZKPHTNU-IAQYHMDHSA-N 1 0 375.270 2.559 20 0 GFADRO Cc1cc(CC(C)(C)C(=O)NCC[N@@H+]2CC[C@@H](O)C2)ccc1Br ZINC000629169180 565826541 /nfs/dbraw/zinc/82/65/41/565826541.db2.gz OOSHSWXQSVFPJO-OAHLLOKOSA-N 1 0 383.330 2.509 20 0 GFADRO Cc1cccc2c1C[C@H]([NH2+][C@@H](C(N)=O)c1ccc(Br)cc1)CO2 ZINC000629252852 565833073 /nfs/dbraw/zinc/83/30/73/565833073.db2.gz XCBNXNSWIOEVRQ-WMLDXEAASA-N 1 0 375.266 2.877 20 0 GFADRO COCC[N@@H+]1CCN(C(=O)Cc2sccc2Br)C(C)(C)C1 ZINC000650828507 565836857 /nfs/dbraw/zinc/83/68/57/565836857.db2.gz JWKVUZNAFRWREA-UHFFFAOYSA-N 1 0 375.332 2.622 20 0 GFADRO C[NH+](C)C[C@H]1CN(S(=O)(=O)Cc2cccc(Cl)c2)c2ccccc2O1 ZINC000673569559 565841019 /nfs/dbraw/zinc/84/10/19/565841019.db2.gz HIGMASILXRCUSF-INIZCTEOSA-N 1 0 380.897 2.999 20 0 GFADRO Cc1cc(C[NH2+][C@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)ccc1Br ZINC000673629926 565844391 /nfs/dbraw/zinc/84/43/91/565844391.db2.gz XNZDHYNSZPFPJG-LRDDRELGSA-N 1 0 377.286 2.775 20 0 GFADRO Cc1cc(C(=O)N[C@@H](C[NH3+])C2CC2)c(I)cc1Cl ZINC000602434036 565847426 /nfs/dbraw/zinc/84/74/26/565847426.db2.gz OZFUOUFQOIIJOG-LBPRGKRZSA-N 1 0 378.641 2.720 20 0 GFADRO Cc1cc(C(=O)NC[C@@H]2CCC[NH2+]2)c(I)cc1Cl ZINC000602427149 565847826 /nfs/dbraw/zinc/84/78/26/565847826.db2.gz BZPSPMAMEBVPDL-VIFPVBQESA-N 1 0 378.641 2.735 20 0 GFADRO O=C(CCC1C[NH2+]C1)NCc1ccc(I)c(Cl)c1 ZINC000602502854 565852221 /nfs/dbraw/zinc/85/22/21/565852221.db2.gz JQVCHNDCBUXZEN-UHFFFAOYSA-N 1 0 378.641 2.560 20 0 GFADRO O=C1[C@@H]([NH2+][C@@H]2CCc3cc(Br)ccc32)CCN1C1CCOCC1 ZINC000673893659 565852200 /nfs/dbraw/zinc/85/22/00/565852200.db2.gz LFLPYZKDTFILQF-SJORKVTESA-N 1 0 379.298 2.806 20 0 GFADRO [NH3+][C@H]1CC=C(C(=O)NCc2ccc(I)c(Cl)c2)C1 ZINC000602502135 565853029 /nfs/dbraw/zinc/85/30/29/565853029.db2.gz DLIUPLOHZYPFSX-JTQLQIEISA-N 1 0 376.625 2.608 20 0 GFADRO CC(C)Oc1cc(C(=O)N[C@@H](C)CN2CC[NH+](C)CC2)ccc1Br ZINC000651278110 565853206 /nfs/dbraw/zinc/85/32/06/565853206.db2.gz MXKLLGWCLGSWHX-AWEZNQCLSA-N 1 0 398.345 2.602 20 0 GFADRO [NH3+]Cc1cccc2c1N(C(=O)c1cc(I)c[nH]1)CCC2 ZINC000602539753 565853668 /nfs/dbraw/zinc/85/36/68/565853668.db2.gz KOCHVJDDMAWXIH-UHFFFAOYSA-N 1 0 381.217 2.671 20 0 GFADRO CN1CC[NH+](CCCCNc2ncnc3cc(Br)sc32)CC1 ZINC000651298001 565854047 /nfs/dbraw/zinc/85/40/47/565854047.db2.gz ORCDORPTBBEQDG-UHFFFAOYSA-N 1 0 384.347 2.893 20 0 GFADRO O=C(CCC[S@](=O)c1ccc(Br)cc1)N[C@H]1CC[NH2+]C12CCC2 ZINC000602529090 565854248 /nfs/dbraw/zinc/85/42/48/565854248.db2.gz DRXBGJMXSVUBCE-WNSKOXEYSA-N 1 0 399.354 2.738 20 0 GFADRO C[NH+](C)[C@]1(CNC(=O)NCCc2ccc(C(F)(F)F)cc2)CCSC1 ZINC000673969332 565855080 /nfs/dbraw/zinc/85/50/80/565855080.db2.gz GRVUWGHZHNPUBW-INIZCTEOSA-N 1 0 375.460 2.984 20 0 GFADRO Cc1sc2nc(CS[C@H](C)C(=O)N3C[C@@H]([NH3+])C[C@@H]3C)[nH]c(=O)c2c1C ZINC000602595409 565856284 /nfs/dbraw/zinc/85/62/84/565856284.db2.gz IHYSLVPEBGKTGA-AXTRIDKLSA-N 1 0 380.539 2.584 20 0 GFADRO COC(=O)c1oc(CNC(=O)[C@](C)([NH3+])c2ccc(Br)cc2)cc1C ZINC000602599723 565856525 /nfs/dbraw/zinc/85/65/25/565856525.db2.gz YCZIYUIADYDUEN-QGZVFWFLSA-N 1 0 395.253 2.627 20 0 GFADRO CC(C)(C[NH2+]Cc1cc(Cl)ccc1OC[C@@H]1CCCO1)S(C)(=O)=O ZINC000674045327 565858150 /nfs/dbraw/zinc/85/81/50/565858150.db2.gz WQRSASYCXNKSRK-HNNXBMFYSA-N 1 0 375.918 2.811 20 0 GFADRO CCOc1cc(C[NH2+]CC(C)(C)S(C)(=O)=O)ccc1OCC(F)(F)F ZINC000674044610 565858158 /nfs/dbraw/zinc/85/81/58/565858158.db2.gz CTWLTIBREFBVKP-UHFFFAOYSA-N 1 0 383.432 2.939 20 0 GFADRO C[C@]12C[NH2+]C[C@@]1(C)CN(CCS(=O)(=O)c1cc(Cl)ccc1Cl)C2 ZINC000629583739 565860532 /nfs/dbraw/zinc/86/05/32/565860532.db2.gz DMEJDIKFLAUEIU-IYBDPMFKSA-N 1 0 377.337 2.699 20 0 GFADRO CSc1ccc(OC[C@H](O)C[NH2+]C[C@H](n2cccn2)C(F)(F)F)cc1 ZINC000629596144 565861530 /nfs/dbraw/zinc/86/15/30/565861530.db2.gz DLZYMWZXHNYGKW-DOMZBBRYSA-N 1 0 375.416 2.738 20 0 GFADRO CC(C)CC[C@@H](CO)[NH2+]CCS(=O)(=O)c1cccc(Br)c1 ZINC000629592084 565861705 /nfs/dbraw/zinc/86/17/05/565861705.db2.gz OWMVHUQKTMIGMX-AWEZNQCLSA-N 1 0 378.332 2.610 20 0 GFADRO CCN1C[C@H](CNc2cc[nH+]c3cc(OC)c(Br)cc23)CC1=O ZINC000651423222 565861823 /nfs/dbraw/zinc/86/18/23/565861823.db2.gz CWWZYBXZKUYKAH-NSHDSACASA-N 1 0 378.270 2.708 20 0 GFADRO C[NH+]1CCC2(CC1)CN(Cc1ccc(I)s1)CCO2 ZINC000602702170 565863996 /nfs/dbraw/zinc/86/39/96/565863996.db2.gz IRRDHTNKIZJKNV-UHFFFAOYSA-N 1 0 392.306 2.649 20 0 GFADRO OC1CCN(CC[NH2+][C@H](c2ccc(Br)cc2)[C@@H]2CCCO2)CC1 ZINC000651465105 565864866 /nfs/dbraw/zinc/86/48/66/565864866.db2.gz KETGQKLCQADKOB-ZWKOTPCHSA-N 1 0 383.330 2.716 20 0 GFADRO [NH3+]Cc1cc(=O)[nH]c(CNCc2ccc(Br)cc2C(F)(F)F)n1 ZINC000629652226 565864973 /nfs/dbraw/zinc/86/49/73/565864973.db2.gz CVMYVFAWOHLZRI-UHFFFAOYSA-N 1 0 391.191 2.712 20 0 GFADRO CC(C)(O)C[N@H+](C[C@H](O)COc1ccc(Cl)c(Cl)c1)C1CCOCC1 ZINC000674263942 565865375 /nfs/dbraw/zinc/86/53/75/565865375.db2.gz DJMHSJQQPMUVIN-AWEZNQCLSA-N 1 0 392.323 2.985 20 0 GFADRO CC(C)[NH2+][C@@H]1CCCN(CCS(=O)(=O)c2cccc(Br)c2)C1 ZINC000674304279 565867857 /nfs/dbraw/zinc/86/78/57/565867857.db2.gz NLBBNNJRIDLAFP-OAHLLOKOSA-N 1 0 389.359 2.685 20 0 GFADRO C[NH2+]C1(CNC(=O)[C@@H](c2ccc(Br)cc2)N2CCCC2)CCC1 ZINC000630002587 565879008 /nfs/dbraw/zinc/87/90/08/565879008.db2.gz WVDSIZOCBWBAEO-MRXNPFEDSA-N 1 0 380.330 2.844 20 0 GFADRO C[NH2+]C1(CNC(=O)[C@@H](c2ccc(Cl)cc2Cl)N2CCOCC2)CCC1 ZINC000630000208 565879262 /nfs/dbraw/zinc/87/92/62/565879262.db2.gz GZXRSRZILFERSU-MRXNPFEDSA-N 1 0 386.323 2.625 20 0 GFADRO C[NH2+]C1(CNC(=O)[C@H]2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)CCC1 ZINC000629998804 565879856 /nfs/dbraw/zinc/87/98/56/565879856.db2.gz LROZJDQCAYGVOM-OAHLLOKOSA-N 1 0 384.307 2.856 20 0 GFADRO C[NH2+][C@@H](C)c1cn(CCCOc2cccc(I)c2)nn1 ZINC000603210376 565890275 /nfs/dbraw/zinc/89/02/75/565890275.db2.gz DDJUYGZBNLZZPG-NSHDSACASA-N 1 0 386.237 2.632 20 0 GFADRO C[NH+](C)CCc1cn(Cc2ccc(I)cc2Cl)nn1 ZINC000603246360 565891871 /nfs/dbraw/zinc/89/18/71/565891871.db2.gz DAVIJVDRPXUSLU-UHFFFAOYSA-N 1 0 390.656 2.689 20 0 GFADRO COC(=O)c1scc(C)c1S(=O)(=O)N1CCCC[C@H]1[C@H](C)C[NH+](C)C ZINC000603391872 565902658 /nfs/dbraw/zinc/90/26/58/565902658.db2.gz UWTXZHCYSPTDKU-OCCSQVGLSA-N 1 0 388.555 2.584 20 0 GFADRO CN(CC[NH+]1CCCCC1)S(=O)(=O)Cc1ccc(Br)cc1 ZINC000651926140 565905414 /nfs/dbraw/zinc/90/54/14/565905414.db2.gz HIJZPRRXRLNEQE-UHFFFAOYSA-N 1 0 375.332 2.697 20 0 GFADRO CC[C@@H]1[C@@H](C(=O)NCC(=O)Nc2ccc(Br)cc2C)CC[N@@H+]1C ZINC000630474017 565905972 /nfs/dbraw/zinc/90/59/72/565905972.db2.gz OWXZREBXTWJJTG-DZGCQCFKSA-N 1 0 382.302 2.543 20 0 GFADRO C[C@H](NC(=O)NCCC[NH+](C)C)c1nc(-c2ccc(Br)cc2)no1 ZINC000675529338 565907933 /nfs/dbraw/zinc/90/79/33/565907933.db2.gz HQHFBNUZNFJSGO-NSHDSACASA-N 1 0 396.289 2.811 20 0 GFADRO COc1ccc([C@@H](C)NC(=O)c2cnn(CC[NH+](C)C)c2)cc1Br ZINC000630575638 565910836 /nfs/dbraw/zinc/91/08/36/565910836.db2.gz RIDNCWJDBBICTO-GFCCVEGCSA-N 1 0 395.301 2.707 20 0 GFADRO CN(CCC[NH2+][C@H]1CCCOc2ccc(Br)cc21)S(C)(=O)=O ZINC000675745861 565914005 /nfs/dbraw/zinc/91/40/05/565914005.db2.gz YUVZJXRWEJQTBU-AWEZNQCLSA-N 1 0 391.331 2.534 20 0 GFADRO COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)N(C)CC[NH+]1CCCCC1 ZINC000652290729 565921650 /nfs/dbraw/zinc/92/16/50/565921650.db2.gz OKYUNDPFHXPFPG-UHFFFAOYSA-N 1 0 388.295 2.885 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(CC(=O)Nc3ccccc3Br)C2)C1 ZINC000652345440 565923279 /nfs/dbraw/zinc/92/32/79/565923279.db2.gz BWJPNCUELRBTER-VBQJREDUSA-N 1 0 396.329 2.606 20 0 GFADRO COCC[NH2+]C1CCN(S(=O)(=O)c2ccc(Cl)c3ccccc32)CC1 ZINC000652373571 565924944 /nfs/dbraw/zinc/92/49/44/565924944.db2.gz DPOZBJAILOKDJC-UHFFFAOYSA-N 1 0 382.913 2.882 20 0 GFADRO CC[C@@H]1[C@@H](C(=O)NCc2cc(Br)c(OC)c(OC)c2)CC[N@@H+]1C ZINC000630873672 565925104 /nfs/dbraw/zinc/92/51/04/565925104.db2.gz ITEMPZJBVKFZLJ-GXTWGEPZSA-N 1 0 385.302 2.813 20 0 GFADRO O=C(NCCCC[NH+]1CCN(c2ncccn2)CC1)c1cscc1Cl ZINC000630929253 565927378 /nfs/dbraw/zinc/92/73/78/565927378.db2.gz ZJWDIOJSQXRUDG-UHFFFAOYSA-N 1 0 379.917 2.524 20 0 GFADRO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCCN2S(=O)(=O)c2c(Cl)ccc(F)c2F)C1 ZINC000652383214 565927453 /nfs/dbraw/zinc/92/74/53/565927453.db2.gz GIJOWIZOOYJWRT-DDTOSNHZSA-N 1 0 394.871 2.668 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2S(=O)(=O)c2cc(F)ccc2Cl)C1 ZINC000652383626 565927673 /nfs/dbraw/zinc/92/76/73/565927673.db2.gz BNNSKITWQKRBPM-SNPRPXQTSA-N 1 0 376.881 2.529 20 0 GFADRO C[NH2+]Cc1ccccc1CNS(=O)(=O)c1cc(OC)c(OC)cc1Cl ZINC000652381858 565927724 /nfs/dbraw/zinc/92/77/24/565927724.db2.gz WDNYVOWCKXIZPS-UHFFFAOYSA-N 1 0 384.885 2.555 20 0 GFADRO CC(C)Oc1cc(C(=O)NC[C@@H]2CCCC[N@@H+]2CCO)ccc1Br ZINC000652390406 565928844 /nfs/dbraw/zinc/92/88/44/565928844.db2.gz NMNDMCAITVJTBX-HNNXBMFYSA-N 1 0 399.329 2.813 20 0 GFADRO CCO[C@@H]1CN(C(=O)Nc2c(C)cc(Br)cc2OC)C[C@H]1C[NH3+] ZINC000652571912 565933923 /nfs/dbraw/zinc/93/39/23/565933923.db2.gz PCQZJUIAGVMUAT-BXUZGUMPSA-N 1 0 386.290 2.594 20 0 GFADRO CCO[C@@H]1CN(C(=O)Nc2cc(F)c(Br)cc2F)C[C@H]1C[NH3+] ZINC000652585692 565934427 /nfs/dbraw/zinc/93/44/27/565934427.db2.gz AIWOKQUBDLTFTM-AMIZOPFISA-N 1 0 378.217 2.555 20 0 GFADRO COc1cc(OC)c(NC(=O)NCCC2CC[NH2+]CC2)cc1Br ZINC000652596814 565934704 /nfs/dbraw/zinc/93/47/04/565934704.db2.gz LHWLINAIWXXEQS-UHFFFAOYSA-N 1 0 386.290 2.978 20 0 GFADRO CCOc1cc(Br)ccc1NC(=O)N1C[C@@H](C[NH3+])[C@H](OCC)C1 ZINC000652584064 565934780 /nfs/dbraw/zinc/93/47/80/565934780.db2.gz APOZBSXOFBJRHW-IAQYHMDHSA-N 1 0 386.290 2.675 20 0 GFADRO CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)s1 ZINC000604770872 565936125 /nfs/dbraw/zinc/93/61/25/565936125.db2.gz BPYDELMAYSRXRO-WFASDCNBSA-N 1 0 389.587 2.590 20 0 GFADRO C[C@H](CNC(=O)C(=O)NCCC1CC[NH2+]CC1)c1c(Cl)cccc1Cl ZINC000652684483 565936922 /nfs/dbraw/zinc/93/69/22/565936922.db2.gz PDWUNDNZMCRGED-GFCCVEGCSA-N 1 0 386.323 2.719 20 0 GFADRO C[C@H](C[NH+]1CCOCC1)C(=O)N1CCN(c2cc(Cl)ccc2Cl)CC1 ZINC000652747318 565938405 /nfs/dbraw/zinc/93/84/05/565938405.db2.gz SHJRNJZSEJIULW-CQSZACIVSA-N 1 0 386.323 2.610 20 0 GFADRO C[C@H](NCc1ccc(Cl)c(S(N)(=O)=O)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000631109525 565941978 /nfs/dbraw/zinc/94/19/78/565941978.db2.gz FTHWFKPCDFUQOA-DZGCQCFKSA-N 1 0 385.961 2.730 20 0 GFADRO C[C@@H](CC[NH+]1CCN(C)CC1)NCc1ncc(Br)cc1Cl ZINC000631114489 565942804 /nfs/dbraw/zinc/94/28/04/565942804.db2.gz WIJVWCRSCOISJJ-LBPRGKRZSA-N 1 0 375.742 2.613 20 0 GFADRO C[C@@H](Nc1cccc(OC(F)(F)F)c1S(N)(=O)=O)C(C)(C)C[NH+](C)C ZINC000631129488 565943358 /nfs/dbraw/zinc/94/33/58/565943358.db2.gz NIWZSAMPFWOUBZ-SNVBAGLBSA-N 1 0 383.436 2.621 20 0 GFADRO O=C(Nc1ccc(SCC[NH+]2CCCC2)cc1)[C@H]1CCCS(=O)(=O)C1 ZINC000652870573 565945164 /nfs/dbraw/zinc/94/51/64/565945164.db2.gz BECIKVCONGFAGE-HNNXBMFYSA-N 1 0 382.551 2.638 20 0 GFADRO COCCc1ncc(C[NH2+]C[C@H]2CN(c3ccc(Cl)cc3)CCO2)s1 ZINC000631182395 565947285 /nfs/dbraw/zinc/94/72/85/565947285.db2.gz ZFVGHBHTZAJWML-INIZCTEOSA-N 1 0 381.929 2.980 20 0 GFADRO COc1cc(CN(C)CCC[NH+]2CCN(C)CC2)c(F)cc1Br ZINC000631180301 565947319 /nfs/dbraw/zinc/94/73/19/565947319.db2.gz PUAGZAAIVXYTPK-UHFFFAOYSA-N 1 0 388.325 2.666 20 0 GFADRO COc1cc(C[NH2+]C[C@H](n2cncn2)C(F)(F)F)cc(Br)c1O ZINC000631214158 565949829 /nfs/dbraw/zinc/94/98/29/565949829.db2.gz WMEGJVNJGIGWQG-NSHDSACASA-N 1 0 395.179 2.648 20 0 GFADRO CCOc1cc(C[NH2+]C2CN(c3ccncn3)C2)cc(Br)c1OC ZINC000631259057 565951337 /nfs/dbraw/zinc/95/13/37/565951337.db2.gz IUHCWJVWGIATTM-UHFFFAOYSA-N 1 0 393.285 2.625 20 0 GFADRO O=C(c1ccc(Cl)cc1Cl)N1CCN(C(=O)[C@H]2CCC[NH2+]CC2)CC1 ZINC000653066610 565953295 /nfs/dbraw/zinc/95/32/95/565953295.db2.gz ZRCFUMBKLXGEFD-ZDUSSCGKSA-N 1 0 384.307 2.668 20 0 GFADRO C[NH+](C)CC[C@@H](N)C(=O)Nc1nc(-c2cc(Br)cs2)cs1 ZINC000653090513 565953930 /nfs/dbraw/zinc/95/39/30/565953930.db2.gz RNQJUMLKHBONQK-SECBINFHSA-N 1 0 389.344 2.852 20 0 GFADRO CO[C@H]1CCN(C(=O)Cn2c(C)c(Br)c3ccccc32)[C@@H](C[NH3+])C1 ZINC000653129020 565955014 /nfs/dbraw/zinc/95/50/14/565955014.db2.gz JVYVXBVNFHOPGZ-KGLIPLIRSA-N 1 0 394.313 2.677 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(C(=O)c3cc(Br)ccc3F)C2)C1 ZINC000653190894 565958486 /nfs/dbraw/zinc/95/84/86/565958486.db2.gz PMZMSJIFLLGNET-KFNAQCHYSA-N 1 0 385.277 2.947 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(C(=O)c3ccc(F)cc3Br)C2)C1 ZINC000653189893 565958500 /nfs/dbraw/zinc/95/85/00/565958500.db2.gz CVRFZVSKSWZEJY-GHJWDPDVSA-N 1 0 385.277 2.947 20 0 GFADRO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCN(C(=O)c3cc(F)cc(Br)c3)C2)C1 ZINC000653187747 565958650 /nfs/dbraw/zinc/95/86/50/565958650.db2.gz BGVBRIIKTDMAEW-HFBAOOFYSA-N 1 0 385.277 2.947 20 0 GFADRO C[C@@H]1C[C@H](N(C)C(=O)c2ccc3cncc(Br)c3n2)CC[N@@H+]1C ZINC000631469865 565958686 /nfs/dbraw/zinc/95/86/86/565958686.db2.gz UGFDOLPJNWTZAT-DGCLKSJQSA-N 1 0 377.286 2.947 20 0 GFADRO CCC1([NH+](C)C)CCN(c2ccc(S(N)(=O)=O)c(C(F)(F)F)c2)CC1 ZINC000631477394 565959989 /nfs/dbraw/zinc/95/99/89/565959989.db2.gz AFUNDZNGRXGVPX-UHFFFAOYSA-N 1 0 379.448 2.663 20 0 GFADRO CCn1cc(Br)cc1C(=O)N1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000653262291 565960337 /nfs/dbraw/zinc/96/03/37/565960337.db2.gz BZAPFRAZXYJNRT-LZWOXQAQSA-N 1 0 384.318 2.772 20 0 GFADRO C[C@@H]1C[C@@H]([NH3+])CCN1S(=O)(=O)Cc1ccc(Cl)cc1Br ZINC000653279259 565961313 /nfs/dbraw/zinc/96/13/13/565961313.db2.gz VHYZZVFUWWAEKW-SKDRFNHKSA-N 1 0 381.723 2.744 20 0 GFADRO Cc1c(Br)c[nH]c(=O)c1C(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000631586986 565962943 /nfs/dbraw/zinc/96/29/43/565962943.db2.gz NHFLDRGPIYDSOG-ZDUSSCGKSA-N 1 0 382.302 2.662 20 0 GFADRO CC[N@@H+]1CCN(Cc2nc(Cc3cccc(Br)c3)no2)C[C@H]1C ZINC000677194179 565964000 /nfs/dbraw/zinc/96/40/00/565964000.db2.gz FWMLRAQORAHCGP-CYBMUJFWSA-N 1 0 379.302 2.949 20 0 GFADRO C[C@@H](Cc1ccc(Br)cc1F)[NH2+]CCCN1CCCS1(=O)=O ZINC000631656923 565965703 /nfs/dbraw/zinc/96/57/03/565965703.db2.gz YCZGRGMXFUEQDI-LBPRGKRZSA-N 1 0 393.322 2.534 20 0 GFADRO C[C@H]([NH2+][C@@H]1[C@H]2Cc3c(cccc3Br)[C@@H]12)C1CCS(=O)(=O)CC1 ZINC000631662349 565966208 /nfs/dbraw/zinc/96/62/08/565966208.db2.gz DQOWXGPNAPKOCE-JWSRLSBWSA-N 1 0 384.339 2.890 20 0 GFADRO Cc1ccc(C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)c(Br)c1 ZINC000677248494 565966783 /nfs/dbraw/zinc/96/67/83/565966783.db2.gz XQLMEGLKDZWWIH-CQSZACIVSA-N 1 0 380.330 2.656 20 0 GFADRO COc1ccc(NC(=O)C[C@@H](C)[NH2+]Cc2c(Br)cnn2C)cc1 ZINC000631685851 565967509 /nfs/dbraw/zinc/96/75/09/565967509.db2.gz ZXDCSMNLOCLJKK-LLVKDONJSA-N 1 0 381.274 2.698 20 0 GFADRO C[C@@H]([NH2+]CC[C@H](O)C(F)F)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000631697774 565968422 /nfs/dbraw/zinc/96/84/22/565968422.db2.gz PRWLZAVSIWUIOE-CJNGLKHVSA-N 1 0 376.469 2.528 20 0 GFADRO C[NH+](C)CCn1cc(C(=O)N2CCc3c(F)cc(Br)cc3C2)cn1 ZINC000631782347 565974304 /nfs/dbraw/zinc/97/43/04/565974304.db2.gz KPORBKDXTBMZKF-UHFFFAOYSA-N 1 0 395.276 2.545 20 0 GFADRO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)N1CCO[C@@H](C(F)(F)F)C1 ZINC000606966102 565975552 /nfs/dbraw/zinc/97/55/52/565975552.db2.gz KAHXIVHEIDBHME-TZMCWYRMSA-N 1 0 377.432 2.858 20 0 GFADRO O=S(=O)(C[C@H]1CCC1(F)F)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000631847257 565977889 /nfs/dbraw/zinc/97/78/89/565977889.db2.gz QPRXVZUZCIEFRN-ZIAGYGMSSA-N 1 0 378.510 2.925 20 0 GFADRO C[C@H]1COCC[N@@H+]1C1CCN(Cc2cn3cc(Br)ccc3n2)CC1 ZINC000653688206 565978391 /nfs/dbraw/zinc/97/83/91/565978391.db2.gz MVXSCQHYMDRPHE-AWEZNQCLSA-N 1 0 393.329 2.782 20 0 GFADRO CC[N@H+](CCOc1ccc(Br)cc1)CC[C@@H]1CCS(=O)(=O)C1 ZINC000677689201 565980570 /nfs/dbraw/zinc/98/05/70/565980570.db2.gz MPPNJISZGNGMRT-CQSZACIVSA-N 1 0 390.343 2.975 20 0 GFADRO CCOc1cc(C[N@H+](C)CC[C@H]2CCS(=O)(=O)C2)ccc1OC(F)F ZINC000677675357 565980915 /nfs/dbraw/zinc/98/09/15/565980915.db2.gz DSIYEVKNVSXZGH-ZDUSSCGKSA-N 1 0 377.453 2.943 20 0 GFADRO COCCO[C@H]1CCC[N@H+](C[C@@H](O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000677710810 565981531 /nfs/dbraw/zinc/98/15/31/565981531.db2.gz VFHVCNDWBDZGPB-HIFRSBDPSA-N 1 0 378.296 2.861 20 0 GFADRO COc1cc(Br)c(CNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)cc1OC ZINC000607280865 565982692 /nfs/dbraw/zinc/98/26/92/565982692.db2.gz XDLDPTFEDLEBKE-RYUDHWBXSA-N 1 0 385.302 2.955 20 0 GFADRO COCC[N@@H+]1CC[C@H](NC(=O)NCC2(c3ccccc3Br)CC2)C1 ZINC000607379169 565983629 /nfs/dbraw/zinc/98/36/29/565983629.db2.gz OLLNCLHTEKZMAY-AWEZNQCLSA-N 1 0 396.329 2.501 20 0 GFADRO CN(C1CC[NH2+]CC1)S(=O)(=O)NCC(C)(C)c1c(Cl)cccc1Cl ZINC000631917507 565983718 /nfs/dbraw/zinc/98/37/18/565983718.db2.gz LSXOXTYRMINSCM-UHFFFAOYSA-N 1 0 394.368 2.789 20 0 GFADRO O=C(Cc1ccc(Br)c(Cl)c1)NCCN1C[C@H]2CC[C@@H](C1)O2 ZINC000653863412 565986227 /nfs/dbraw/zinc/98/62/27/565986227.db2.gz OMQXIAXRBAIDNQ-BETUJISGSA-N 1 0 387.705 2.624 20 0 GFADRO Cc1ccc(Br)c(S(=O)(=O)N2CCOc3ccc(C[NH3+])cc32)c1 ZINC000631958877 565986594 /nfs/dbraw/zinc/98/65/94/565986594.db2.gz FXVBJLVSLXFBGM-UHFFFAOYSA-N 1 0 397.294 2.804 20 0 GFADRO COc1ccc(C[N@H+](C)C[C@@H](O)COc2ccc(Br)cc2)cn1 ZINC000677898631 565987287 /nfs/dbraw/zinc/98/72/87/565987287.db2.gz NAVNGNVDQHVJPE-OAHLLOKOSA-N 1 0 381.270 2.724 20 0 GFADRO C[C@@H]1C[C@@H](N(C)S(=O)(=O)c2c[nH]c(=O)s2)CC[N@@H+]1Cc1ccccc1 ZINC000631997043 565989544 /nfs/dbraw/zinc/98/95/44/565989544.db2.gz QGANUEKPJAXNPU-HIFRSBDPSA-N 1 0 381.523 2.522 20 0 GFADRO O=C(COc1ccc(Br)cn1)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000632012620 565990844 /nfs/dbraw/zinc/99/08/44/565990844.db2.gz VCMSFFZUZMJMLW-BBRMVZONSA-N 1 0 394.313 2.698 20 0 GFADRO C[C@H](C(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1)c1ccc(Br)cc1 ZINC000678023175 565995034 /nfs/dbraw/zinc/99/50/34/565995034.db2.gz OVICZYRGMGXOEM-RRQGHBQHSA-N 1 0 381.314 2.610 20 0 GFADRO CNC(=O)[C@H](Cc1c[nH]c2ccccc12)[NH2+]Cc1ccc(Br)cn1 ZINC000608058570 566001355 /nfs/dbraw/zinc/00/13/55/566001355.db2.gz WRJQZJPRMIZZSY-KRWDZBQOSA-N 1 0 387.281 2.772 20 0 GFADRO C[NH+](C)CCCS(=O)(=O)N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000632126672 566002003 /nfs/dbraw/zinc/00/20/03/566002003.db2.gz YTDSRXOOVAYIBF-NSHDSACASA-N 1 0 385.477 2.623 20 0 GFADRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)N1CCOc2cccc(Br)c2C1 ZINC000654386471 566007248 /nfs/dbraw/zinc/00/72/48/566007248.db2.gz XPNFGVFUCLEPEQ-JKSUJKDBSA-N 1 0 394.313 2.980 20 0 GFADRO O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)N1CCOc2cccc(Br)c2C1 ZINC000654381203 566007337 /nfs/dbraw/zinc/00/73/37/566007337.db2.gz KVHUWDPOOJRVSP-KBPBESRZSA-N 1 0 394.313 2.980 20 0 GFADRO CC[C@H]([NH2+]CCCN1CCCS1(=O)=O)c1ccc(Br)cc1 ZINC000678583137 566013374 /nfs/dbraw/zinc/01/33/74/566013374.db2.gz QCVGWYXEBZODSM-HNNXBMFYSA-N 1 0 375.332 2.915 20 0 GFADRO O=S1(=O)CCCN1CCC[NH2+][C@@H]1CCc2ccc(OC(F)(F)F)cc21 ZINC000678582864 566013591 /nfs/dbraw/zinc/01/35/91/566013591.db2.gz NKGKRBCCUIYDJP-OAHLLOKOSA-N 1 0 378.416 2.588 20 0 GFADRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)N[C@@H]2CCN(c3cccc(Br)c3)C2)C1 ZINC000654547810 566013673 /nfs/dbraw/zinc/01/36/73/566013673.db2.gz FZQHDGGSLRUAES-UNEWFSDZSA-N 1 0 395.345 2.667 20 0 GFADRO CC[C@@H](Cc1cccs1)[NH2+]C1CCN(S(=O)(=O)C2CCOCC2)CC1 ZINC000678591777 566013888 /nfs/dbraw/zinc/01/38/88/566013888.db2.gz YTEOHDXRFSQGQI-HNNXBMFYSA-N 1 0 386.583 2.632 20 0 GFADRO C[N@@H+]1CCCN(CCCNC(=O)c2c[nH]c3cccc(Br)c23)CC1 ZINC000678622116 566015208 /nfs/dbraw/zinc/01/52/08/566015208.db2.gz YAMGYQGZGDJOCK-UHFFFAOYSA-N 1 0 393.329 2.688 20 0 GFADRO O[C@@H](COc1ccc(Cl)c(Cl)c1)C[N@@H+]1CCC[C@H]1CN1CCOCC1 ZINC000608501546 566015497 /nfs/dbraw/zinc/01/54/97/566015497.db2.gz DTVKGQXNPTWCQI-LSDHHAIUSA-N 1 0 389.323 2.530 20 0 GFADRO C[C@@H](CC(=O)N(CCC[NH+](C)C)Cc1ccc(Cl)c(Cl)c1)NC(N)=O ZINC000654598772 566017715 /nfs/dbraw/zinc/01/77/15/566017715.db2.gz FJKNLKBMBBHVIW-LBPRGKRZSA-N 1 0 389.327 2.721 20 0 GFADRO COc1ccc([C@@H](C)[NH2+]CC[C@@H]2CCS(=O)(=O)C2)cc1Br ZINC000678732789 566018134 /nfs/dbraw/zinc/01/81/34/566018134.db2.gz CKVZGIJAXURPKY-VXGBXAGGSA-N 1 0 376.316 2.933 20 0 GFADRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)CCc2c(Cl)cccc2Cl)C1 ZINC000654697970 566019520 /nfs/dbraw/zinc/01/95/20/566019520.db2.gz JNFHQSVMUACFKB-ZDUSSCGKSA-N 1 0 386.323 2.630 20 0 GFADRO C[C@H]1CSc2ccc(Br)cc2[C@H]1[NH2+]CC(=O)N1CCN(C)CC1 ZINC000678767750 566019721 /nfs/dbraw/zinc/01/97/21/566019721.db2.gz QMYMKVIEHKHQBH-SJCJKPOMSA-N 1 0 398.370 2.596 20 0 GFADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3[C@@H]4Cc5cc(Br)ccc5[C@@H]43)[C@H]2C1 ZINC000632336903 566022699 /nfs/dbraw/zinc/02/26/99/566022699.db2.gz GTNLVVWAFLLOKY-FKHNRKFTSA-N 1 0 375.310 2.887 20 0 GFADRO CC[N@@H+]1CCN(C(=O)Nc2ccc(S(C)(=O)=O)c(C(F)F)c2)C[C@H]1C ZINC000678907075 566024163 /nfs/dbraw/zinc/02/41/63/566024163.db2.gz FLPHVFDSUCGMIU-LLVKDONJSA-N 1 0 375.441 2.586 20 0 GFADRO C[C@H]([NH2+]C[C@@H]1CCC[C@]12NC(=O)N(C)C2=O)c1ccc(Br)s1 ZINC000679066620 566029367 /nfs/dbraw/zinc/02/93/67/566029367.db2.gz RVDPKKNINBWQJF-YHAQOWFVSA-N 1 0 386.315 2.882 20 0 GFADRO C[C@H]([NH2+]C[C@H]1CCC[C@@]12NC(=O)N(C)C2=O)c1ccc(Br)s1 ZINC000679066617 566029544 /nfs/dbraw/zinc/02/95/44/566029544.db2.gz RVDPKKNINBWQJF-FEUHOPSXSA-N 1 0 386.315 2.882 20 0 GFADRO CC[N@@H+]1CCCN(S(=O)(=O)c2cc(Cl)c(NC(C)=O)cc2F)[C@@H](C)C1 ZINC000632449857 566033290 /nfs/dbraw/zinc/03/32/90/566033290.db2.gz NIKYRTHGSZAJJL-NSHDSACASA-N 1 0 391.896 2.542 20 0 GFADRO Cc1onc(-c2ccc(Cl)cc2Cl)c1C(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000655096068 566040338 /nfs/dbraw/zinc/04/03/38/566040338.db2.gz JOIFWWRECFHFSK-KBPBESRZSA-N 1 0 384.263 2.704 20 0 GFADRO O=c1[nH]cc(S(=O)(=O)N[C@H]2CCCCC[N@H+](Cc3ccccc3)C2)s1 ZINC000632626813 566051920 /nfs/dbraw/zinc/05/19/20/566051920.db2.gz UKILAQLRCZOWLM-HNNXBMFYSA-N 1 0 381.523 2.572 20 0 GFADRO CCC1([NH+](C)C)CCN(S(=O)(=O)c2ccc(OC(F)F)c(F)c2)CC1 ZINC000632660656 566056271 /nfs/dbraw/zinc/05/62/71/566056271.db2.gz LKPNJDNBWCNDIN-UHFFFAOYSA-N 1 0 380.432 2.922 20 0 GFADRO C[C@H](NC(=O)[C@H]1C[C@]12CCC[NH2+]C2)c1cc2c(cc1Br)OCCO2 ZINC000655429163 566056301 /nfs/dbraw/zinc/05/63/01/566056301.db2.gz SFABBLXMDZZPQP-SRBZOADZSA-N 1 0 395.297 2.787 20 0 GFADRO O=C([C@@H]1C[C@@]12CCC[NH2+]C2)N1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000655429607 566056565 /nfs/dbraw/zinc/05/65/65/566056565.db2.gz DZIBHYUDCQYRCN-LZLYRXPVSA-N 1 0 379.298 2.739 20 0 GFADRO CO[C@H](C(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)c1ccccc1Br ZINC000655464954 566056926 /nfs/dbraw/zinc/05/69/26/566056926.db2.gz NOGPFCWAWBUIAP-CPUCHLNUSA-N 1 0 381.314 2.985 20 0 GFADRO O=C(NC[C@@H]1CCN(c2ccc(Br)cc2)C1)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000655445977 566057684 /nfs/dbraw/zinc/05/76/84/566057684.db2.gz WCZIWLCZEFZNSU-YJLNNSPDSA-N 1 0 392.341 2.781 20 0 GFADRO O=C(Nc1cnn(-c2ccccc2Br)c1)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000655471285 566058760 /nfs/dbraw/zinc/05/87/60/566058760.db2.gz KLXOYBBFVBPKNI-GUYCJALGSA-N 1 0 375.270 2.963 20 0 GFADRO O=S1(=O)CCCN1CCC[NH2+][C@H]1CCCc2c(Br)cccc21 ZINC000679992210 566059013 /nfs/dbraw/zinc/05/90/13/566059013.db2.gz ZOAYDCUMLXGGPZ-INIZCTEOSA-N 1 0 387.343 2.842 20 0 GFADRO O=C(NCCCc1c(Cl)cccc1Cl)c1cn(C2CC[NH2+]CC2)nn1 ZINC000655491019 566060111 /nfs/dbraw/zinc/06/01/11/566060111.db2.gz YTPYXXCGUCGBIZ-UHFFFAOYSA-N 1 0 382.295 2.872 20 0 GFADRO [NH3+]C[C@H](NC(=O)[C@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1)C(F)(F)F ZINC000655508429 566060717 /nfs/dbraw/zinc/06/07/17/566060717.db2.gz FJIYIPQXUKBBPQ-NEPJUHHUSA-N 1 0 398.212 2.604 20 0 GFADRO Cc1cc(C(=O)N[C@@H](C[NH3+])C(F)(F)F)c2cc(Br)ccc2n1 ZINC000655515079 566062657 /nfs/dbraw/zinc/06/26/57/566062657.db2.gz WTPMOOYKNNDRJW-LBPRGKRZSA-N 1 0 376.176 2.925 20 0 GFADRO Cc1c(Br)cccc1CS(=O)(=O)N1CCC(C[NH+](C)C)CC1 ZINC000655546912 566066548 /nfs/dbraw/zinc/06/65/48/566066548.db2.gz DSOGSHVLANEOIL-UHFFFAOYSA-N 1 0 389.359 2.861 20 0 GFADRO C[NH+](C)CCn1cc(C(=O)N[C@@H]2CSc3ccc(Br)cc32)cn1 ZINC000632785561 566066864 /nfs/dbraw/zinc/06/68/64/566066864.db2.gz CSONVVXSZUSXOH-CQSZACIVSA-N 1 0 395.326 2.784 20 0 GFADRO Cc1c(Br)csc1C(=O)N=c1ccn(C2CC[NH+](C)CC2)[nH]1 ZINC000632787781 566067804 /nfs/dbraw/zinc/06/78/04/566067804.db2.gz ZLFVTCONSVWOQQ-UHFFFAOYSA-N 1 0 383.315 2.956 20 0 GFADRO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)Nc1cc(Br)cnc1OCC(F)(F)F ZINC000632913223 566074182 /nfs/dbraw/zinc/07/41/82/566074182.db2.gz IMLOIWZQSLFJBE-VXNVDRBHSA-N 1 0 397.195 2.739 20 0 GFADRO C[C@H]1C[C@H]([NH3+])CN1C(=O)Nc1cccc(Oc2ncc(Br)cn2)c1 ZINC000632922816 566074669 /nfs/dbraw/zinc/07/46/69/566074669.db2.gz KTQDXBIAZJRQIZ-JQWIXIFHSA-N 1 0 392.257 2.985 20 0 GFADRO O=C(Nc1cccc(Cl)c1Br)N1CCC([NH2+]CCO)CC1 ZINC000632939487 566075024 /nfs/dbraw/zinc/07/50/24/566075024.db2.gz UFBLRSMOEZFEIS-UHFFFAOYSA-N 1 0 376.682 2.681 20 0 GFADRO C[C@H]1C[C@H]([NH3+])CN1C(=O)Nc1ccnn1Cc1ccccc1Br ZINC000632936227 566075119 /nfs/dbraw/zinc/07/51/19/566075119.db2.gz ISXMKAJNDZKCCC-AAEUAGOBSA-N 1 0 378.274 2.647 20 0 GFADRO CC(C)Oc1cc(NC(=O)NCC2([NH3+])CCOCC2)ccc1Br ZINC000632960668 566077760 /nfs/dbraw/zinc/07/77/60/566077760.db2.gz IQDIUEFJGULNLC-UHFFFAOYSA-N 1 0 386.290 2.866 20 0 GFADRO Cc1nn(-c2cccc(Br)c2)cc1C[NH2+][C@H]1CCCS(=O)(=O)C1 ZINC000655738692 566085399 /nfs/dbraw/zinc/08/53/99/566085399.db2.gz PQHJHQXGNPONLP-HNNXBMFYSA-N 1 0 398.326 2.610 20 0 GFADRO Cc1nn(-c2ccccc2Br)cc1C[NH2+]C[C@H]1CCCS1(=O)=O ZINC000655748242 566085756 /nfs/dbraw/zinc/08/57/56/566085756.db2.gz UQLVXLYDVRYMKY-CQSZACIVSA-N 1 0 398.326 2.610 20 0 GFADRO Cc1nn(-c2cccc(Br)c2)cc1C[NH2+][C@H]1CC(=O)N(C2CC2)C1 ZINC000655743281 566086024 /nfs/dbraw/zinc/08/60/24/566086024.db2.gz FPLAVXSAKRHRHA-HNNXBMFYSA-N 1 0 389.297 2.796 20 0 GFADRO C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)Cc1cc2c(c(Cl)c1)OCO2 ZINC000680869067 566086912 /nfs/dbraw/zinc/08/69/12/566086912.db2.gz DYOBNYNAGXXUHP-LLVKDONJSA-N 1 0 382.869 2.909 20 0 GFADRO CN(C)C(=O)[C@H]1CC[C@@H](C[NH2+]Cc2oc3ccccc3c2Br)O1 ZINC000655756046 566087235 /nfs/dbraw/zinc/08/72/35/566087235.db2.gz LXGDBYTZKYRUEP-SMDDNHRTSA-N 1 0 381.270 2.921 20 0 GFADRO CNC(=O)[C@H]1CCC[C@H]1[NH2+]Cc1cn(-c2cccc(Br)c2)nc1C ZINC000655754992 566087428 /nfs/dbraw/zinc/08/74/28/566087428.db2.gz ZWQIPTPCFIEPLR-DLBZAZTESA-N 1 0 391.313 2.948 20 0 GFADRO Cc1nn(-c2cccc(Br)c2)cc1C[NH2+]C[C@H]1CC[C@@H](CO)O1 ZINC000655776887 566088323 /nfs/dbraw/zinc/08/83/23/566088323.db2.gz PUZYGXPSQCAFSM-SJORKVTESA-N 1 0 380.286 2.573 20 0 GFADRO C[NH+](C)CCn1nccc1NC(=O)Cc1csc(CCC(F)(F)F)n1 ZINC000633211997 566089480 /nfs/dbraw/zinc/08/94/80/566089480.db2.gz HPZFEDSSSPKERO-UHFFFAOYSA-N 1 0 375.420 2.577 20 0 GFADRO C[C@H](c1ccccc1)[C@@H](CO)[NH2+][C@H](C(N)=O)c1cccc(Br)c1 ZINC000680991417 566090747 /nfs/dbraw/zinc/09/07/47/566090747.db2.gz HSTYNTXSYHDTES-JLZZUVOBSA-N 1 0 377.282 2.730 20 0 GFADRO C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1ccc3cncc(Br)c3n1)C2 ZINC000633254652 566091335 /nfs/dbraw/zinc/09/13/35/566091335.db2.gz VCIOLAXLBQVENA-SFHVURJKSA-N 1 0 389.297 2.950 20 0 GFADRO Cn1nnc2c1CC[C@@H]([NH2+]Cc1nc(-c3cccc(Br)c3)c[nH]1)C2 ZINC000655841438 566092499 /nfs/dbraw/zinc/09/24/99/566092499.db2.gz CLMKUEFUDROVIK-CYBMUJFWSA-N 1 0 387.285 2.615 20 0 GFADRO [NH3+]C[C@H](NC(=O)NCCc1c[nH]c2cccc(Br)c12)C(F)(F)F ZINC000655931175 566096303 /nfs/dbraw/zinc/09/63/03/566096303.db2.gz WUSLUAOFAZGLNX-NSHDSACASA-N 1 0 393.207 2.662 20 0 GFADRO COc1ccc(C(=O)N(C)CCCC[NH+](C)C)c(I)c1 ZINC000610759418 566097116 /nfs/dbraw/zinc/09/71/16/566097116.db2.gz GEAWDWZUENFJMC-UHFFFAOYSA-N 1 0 390.265 2.714 20 0 GFADRO COC1CC[NH+](CCNC(=O)Nc2nc(-c3sccc3C)ns2)CC1 ZINC000681181241 566097845 /nfs/dbraw/zinc/09/78/45/566097845.db2.gz OTLWIYJJPNZPMP-UHFFFAOYSA-N 1 0 381.527 2.807 20 0 GFADRO Cc1c(Br)cccc1CS(=O)(=O)N(C)CC[C@@H]([NH3+])C(C)C ZINC000655949909 566098023 /nfs/dbraw/zinc/09/80/23/566098023.db2.gz GDDBAGALCNYCOH-OAHLLOKOSA-N 1 0 377.348 2.893 20 0 GFADRO C[C@H]([NH2+]CCOC[C@H]1CCOC1)c1ccccc1I ZINC000610815097 566101073 /nfs/dbraw/zinc/10/10/73/566101073.db2.gz PZHLQCGSMJJQFS-STQMWFEESA-N 1 0 375.250 2.995 20 0 GFADRO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)N1CCOc2cccc(Br)c2C1 ZINC000655963264 566099727 /nfs/dbraw/zinc/09/97/27/566099727.db2.gz MXGYBKBSDKXGDC-DOMZBBRYSA-N 1 0 382.302 2.871 20 0 GFADRO COC1CC[NH+](CCNC(=O)NC/C=C/c2ccc(Br)cc2)CC1 ZINC000656140639 566105832 /nfs/dbraw/zinc/10/58/32/566105832.db2.gz ZNRNPYMAOOCDNY-NSCUHMNNSA-N 1 0 396.329 2.872 20 0 GFADRO C[C@@H](C[NH2+]CCC(=O)Nc1ccc(Br)cc1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656152650 566106811 /nfs/dbraw/zinc/10/68/11/566106811.db2.gz BQCBYGGHSUNRNT-SOUVJXGZSA-N 1 0 398.345 2.865 20 0 GFADRO O=C(c1ccc(Br)cc1)N1CCc2[nH]cnc2C12CCOCC2 ZINC000633525650 566107858 /nfs/dbraw/zinc/10/78/58/566107858.db2.gz PZLNJEWRSANPBO-UHFFFAOYSA-N 1 0 376.254 2.876 20 0 GFADRO C[N@@H+]1CCC[C@@H](CNC(=O)c2cccc(F)c2I)C1 ZINC000611002628 566110155 /nfs/dbraw/zinc/11/01/55/566110155.db2.gz NKQYQPNKZKWXSH-JTQLQIEISA-N 1 0 376.213 2.502 20 0 GFADRO Cc1cc(N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)c2cc(Br)cc(F)c2n1 ZINC000656219397 566114052 /nfs/dbraw/zinc/11/40/52/566114052.db2.gz WPIXJGRFTFCAHU-QWHCGFSZSA-N 1 0 380.261 2.700 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)cc1Br ZINC000681621926 566118890 /nfs/dbraw/zinc/11/88/90/566118890.db2.gz MPZRXUGITWPBMV-CQSZACIVSA-N 1 0 394.313 2.605 20 0 GFADRO CS[C@H]1CN(C(=O)c2ccc(Cl)c(N3CCCC3=O)c2)C[C@@H]1[NH+](C)C ZINC000611217292 566122014 /nfs/dbraw/zinc/12/20/14/566122014.db2.gz NXJRYBQDXYDEIM-HOTGVXAUSA-N 1 0 381.929 2.584 20 0 GFADRO Brc1ccn2cc(CN3CCC[C@H]([NH+]4CCOCC4)CC3)nc2c1 ZINC000656281463 566122050 /nfs/dbraw/zinc/12/20/50/566122050.db2.gz YNUKCPZOMUNUOG-KRWDZBQOSA-N 1 0 393.329 2.784 20 0 GFADRO C[N@@H+]1CCC[C@H](NC(=O)Nc2ccnn2Cc2cccc(Br)c2)C1 ZINC000681779894 566124555 /nfs/dbraw/zinc/12/45/55/566124555.db2.gz RDUSUDUALINAOA-HNNXBMFYSA-N 1 0 392.301 2.910 20 0 GFADRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)c1nn(C)cc1Br ZINC000633802864 566126758 /nfs/dbraw/zinc/12/67/58/566126758.db2.gz KXIJUPDFRPPWNU-ZFWWWQNUSA-N 1 0 391.313 2.681 20 0 GFADRO C[C@@H](c1ccc(F)c(Br)c1)n1cc(CN2CC[NH+](C)CC2)nn1 ZINC000656460409 566128219 /nfs/dbraw/zinc/12/82/19/566128219.db2.gz BJAMNGHMGSGAOY-LBPRGKRZSA-N 1 0 382.281 2.536 20 0 GFADRO CS(=O)(=O)Nc1cccc(C[NH2+]C[C@]2(O)CCC[C@@H](C(F)(F)F)C2)c1 ZINC000681983899 566136121 /nfs/dbraw/zinc/13/61/21/566136121.db2.gz RYFWWCFMRBBPTL-HIFRSBDPSA-N 1 0 380.432 2.631 20 0 GFADRO CC1(C)CN(C(=O)Cc2cc(Cl)ccc2Br)CC[N@@H+]1CCO ZINC000682011630 566139321 /nfs/dbraw/zinc/13/93/21/566139321.db2.gz YLEUYWBHQQWJGL-UHFFFAOYSA-N 1 0 389.721 2.560 20 0 GFADRO CCn1cc(Br)cc1C(=O)Nc1cnn(C2CC[NH+](C)CC2)c1 ZINC000634090435 566142901 /nfs/dbraw/zinc/14/29/01/566142901.db2.gz YANJKJZVRDVNRS-UHFFFAOYSA-N 1 0 380.290 2.986 20 0 GFADRO Cc1nc(C(=O)Nc2cnn(C3CC[NH+](C)CC3)c2)c(Br)s1 ZINC000634094693 566143650 /nfs/dbraw/zinc/14/36/50/566143650.db2.gz AHJFXGHNQXSETC-UHFFFAOYSA-N 1 0 384.303 2.930 20 0 GFADRO CSc1nnc(CNC(=O)Nc2ccc(OCCC[NH+](C)C)cc2)s1 ZINC000682099262 566144317 /nfs/dbraw/zinc/14/43/17/566144317.db2.gz HLFLBAZFSUUWDI-UHFFFAOYSA-N 1 0 381.527 2.912 20 0 GFADRO C[C@H](NC(=O)C(=O)Nc1nc(-c2cccs2)cs1)C1CC[NH+](C)CC1 ZINC000682192418 566147107 /nfs/dbraw/zinc/14/71/07/566147107.db2.gz ODXYYKWUKMDTEU-NSHDSACASA-N 1 0 378.523 2.657 20 0 GFADRO CC[N@H+](C[C@@H](O)COc1cc(F)cc(Br)c1)C[C@@H]1CCOC1 ZINC000682218890 566148224 /nfs/dbraw/zinc/14/82/24/566148224.db2.gz POESKLXAGOLNDF-SWLSCSKDSA-N 1 0 376.266 2.686 20 0 GFADRO CCNC(=O)c1cc(NC(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)c(C)s1 ZINC000634419208 566154751 /nfs/dbraw/zinc/15/47/51/566154751.db2.gz RTRSXONCUALHQB-CQSZACIVSA-N 1 0 381.567 2.962 20 0 GFADRO COCC1(C2CCC2)C[NH+](C[C@H](O)COc2cccc(Br)c2)C1 ZINC000656705946 566155999 /nfs/dbraw/zinc/15/59/99/566155999.db2.gz MFMCHRJHIKHACB-INIZCTEOSA-N 1 0 384.314 2.937 20 0 GFADRO C[NH+]1CCC2(CC1)CC(=O)NN(c1ccc(Cl)c(C(F)(F)F)c1)C2=O ZINC000634613917 566160399 /nfs/dbraw/zinc/16/03/99/566160399.db2.gz LZQIVGJDVBZLIQ-UHFFFAOYSA-N 1 0 375.778 2.839 20 0 GFADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3cc(Br)cc4[nH]c(=O)[nH]c43)CC[C@@H]21 ZINC000612519417 566165440 /nfs/dbraw/zinc/16/54/40/566165440.db2.gz JMPAUBUIPKFDNZ-YGRLFVJLSA-N 1 0 393.285 2.587 20 0 GFADRO Cc1cc(F)c(Br)cc1NC(=O)N1CC[N@H+](CCO)C(C)(C)C1 ZINC000682768094 566170004 /nfs/dbraw/zinc/17/00/04/566170004.db2.gz WXLHKXWFIIOQPH-UHFFFAOYSA-N 1 0 388.281 2.817 20 0 GFADRO Cc1ccc(S(=O)(=O)C[C@@H](C)[NH2+]CCn2ccc(C(F)(F)F)n2)cc1 ZINC000634686408 566170085 /nfs/dbraw/zinc/17/00/85/566170085.db2.gz KCCHUZHUWHBPMB-CYBMUJFWSA-N 1 0 375.416 2.662 20 0 GFADRO C[C@](O)(C[C@@H](O)C[NH2+]CCOc1ncc(C(F)(F)F)cc1Cl)C1CC1 ZINC000634705545 566171123 /nfs/dbraw/zinc/17/11/23/566171123.db2.gz CDTGBGSNJZHLGO-DOMZBBRYSA-N 1 0 382.810 2.634 20 0 GFADRO C[C@](O)(C[C@@H](O)C[NH2+]Cc1cnn(-c2ccc(Br)cc2)c1)C1CC1 ZINC000634712631 566172200 /nfs/dbraw/zinc/17/22/00/566172200.db2.gz JNDWHBVHSUYEGY-MSOLQXFVSA-N 1 0 394.313 2.636 20 0 GFADRO C[C@](O)(C[C@H](O)C[NH2+][C@@H]1CCN(c2cccc(Br)c2)C1)C1CC1 ZINC000634712503 566172533 /nfs/dbraw/zinc/17/25/33/566172533.db2.gz HKKRARDQMGJHPP-NJAFHUGGSA-N 1 0 383.330 2.529 20 0 GFADRO C[C@H]([NH2+]C[C@H](O)CC1(O)CCOCC1)c1ccc(F)c(Br)c1 ZINC000634713884 566172569 /nfs/dbraw/zinc/17/25/69/566172569.db2.gz CBGKKJHKTRXSRJ-WCQYABFASA-N 1 0 376.266 2.531 20 0 GFADRO O[C@@H](C[NH2+]Cc1cnc(-c2ccc(Cl)cc2)s1)CC1(O)CCOCC1 ZINC000634715238 566172594 /nfs/dbraw/zinc/17/25/94/566172594.db2.gz ZPPOAZYQFRUNIJ-OAHLLOKOSA-N 1 0 382.913 2.846 20 0 GFADRO Cc1nc(CS(=O)(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cs1 ZINC000682836298 566172608 /nfs/dbraw/zinc/17/26/08/566172608.db2.gz RUHSCGZJAWOKEQ-KDOFPFPSSA-N 1 0 379.551 2.782 20 0 GFADRO C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)C[C@H]1Sc3ccc(Cl)cc3NC1=O)C2 ZINC000634748710 566174075 /nfs/dbraw/zinc/17/40/75/566174075.db2.gz NJQATZRCZJOLOO-OLMNPRSZSA-N 1 0 379.913 2.601 20 0 GFADRO C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)c1cnn(-c3cccc(Br)c3)c1)C2 ZINC000634747566 566174474 /nfs/dbraw/zinc/17/44/74/566174474.db2.gz QHIMZJBPZFVMSJ-HDICACEKSA-N 1 0 389.297 2.706 20 0 GFADRO CC[NH+]1CCN([C@H](C)CNC(=O)c2ccc(C)c(Br)c2C)CC1 ZINC000682900610 566175342 /nfs/dbraw/zinc/17/53/42/566175342.db2.gz ZOTPRFWPDWZJRS-CQSZACIVSA-N 1 0 382.346 2.822 20 0 GFADRO O=C(NCC1(c2cccc(Br)c2)CC1)N[C@@H]1CC12CC[NH2+]CC2 ZINC000612973203 566180289 /nfs/dbraw/zinc/18/02/89/566180289.db2.gz YIYBZXMULLWUBI-OAHLLOKOSA-N 1 0 378.314 2.922 20 0 GFADRO O=C(NCC1(c2ccccc2Br)CC1)N[C@@H]1CC12CC[NH2+]CC2 ZINC000612973577 566180655 /nfs/dbraw/zinc/18/06/55/566180655.db2.gz JQFFGGUBKPHEKG-OAHLLOKOSA-N 1 0 378.314 2.922 20 0 GFADRO O=C(N[C@@H]1CC12CC[NH2+]CC2)N1CCc2c(F)ccc(Br)c2C1 ZINC000612983149 566181517 /nfs/dbraw/zinc/18/15/17/566181517.db2.gz NCINFDVMMLGIPV-OAHLLOKOSA-N 1 0 382.277 2.798 20 0 GFADRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)S(=O)(=O)Cc1cc(F)ccc1Br ZINC000656916517 566183459 /nfs/dbraw/zinc/18/34/59/566183459.db2.gz SSAHOZSXATYVLH-IAQYHMDHSA-N 1 0 393.322 2.690 20 0 GFADRO CC[C@@H](C[NH+]1CCCC1)NS(=O)(=O)Cc1cc(F)ccc1Br ZINC000656928666 566185521 /nfs/dbraw/zinc/18/55/21/566185521.db2.gz VJDCWFSSDVEZEP-AWEZNQCLSA-N 1 0 393.322 2.882 20 0 GFADRO O=S1(=O)CCC[C@@H]([NH2+][C@@H]2CCN(c3ccccc3Br)C2)CC1 ZINC000634960725 566185993 /nfs/dbraw/zinc/18/59/93/566185993.db2.gz ATCYZNGBTKBVFD-ZIAGYGMSSA-N 1 0 387.343 2.585 20 0 GFADRO C[C@H](C[NH2+][C@H]1CCCS(=O)(=O)CC1)Oc1ccccc1Br ZINC000634967419 566186191 /nfs/dbraw/zinc/18/61/91/566186191.db2.gz OAMASWTWVOYLNK-OLZOCXBDSA-N 1 0 376.316 2.773 20 0 GFADRO C[C@@H]([NH2+][C@H]1CCNC(=O)CC1)c1ccc(Br)cc1OCCCO ZINC000634981641 566188623 /nfs/dbraw/zinc/18/86/23/566188623.db2.gz OABKRPAYYHPLJC-TZMCWYRMSA-N 1 0 385.302 2.530 20 0 GFADRO O=C1CN(Cc2cccc(Br)c2)C(=O)N1[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000683284915 566192563 /nfs/dbraw/zinc/19/25/63/566192563.db2.gz DWMPTIAKSUODLH-MRXNPFEDSA-N 1 0 392.297 2.698 20 0 GFADRO CCC1([NH+](C)C)CCN(C(=O)C(=O)Nc2ccc(Br)cc2)CC1 ZINC000635302470 566204507 /nfs/dbraw/zinc/20/45/07/566204507.db2.gz MTURMAGSCDENNN-UHFFFAOYSA-N 1 0 382.302 2.720 20 0 GFADRO CC[C@@H]1Cc2c(Br)cccc2C[N@@H+]1C[C@@H](O)CO[C@H](C)COC ZINC000683676550 566209495 /nfs/dbraw/zinc/20/94/95/566209495.db2.gz DXWLIALZHYFZOW-FVQBIDKESA-N 1 0 386.330 2.998 20 0 GFADRO CC(=O)Nc1ccc(S(=O)(=O)NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)cc1Cl ZINC000657034703 566211000 /nfs/dbraw/zinc/21/10/00/566211000.db2.gz UVXNTCMZCPWPMB-ZDUSSCGKSA-N 1 0 387.933 2.697 20 0 GFADRO C[C@@H](Oc1ccc(Cl)c(Cl)c1)C(=O)N1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000683913936 566218784 /nfs/dbraw/zinc/21/87/84/566218784.db2.gz PARZHZPJDZENSL-SJKOYZFVSA-N 1 0 375.296 2.676 20 0 GFADRO C[C@H](CCNS(=O)(=O)c1ccc2c(Br)cn(C)c2c1)[NH+](C)C ZINC000657090365 566220718 /nfs/dbraw/zinc/22/07/18/566220718.db2.gz CKWQDMYAZPJWDP-LLVKDONJSA-N 1 0 388.331 2.559 20 0 GFADRO C[C@@H](CCNS(=O)(=O)c1c(Cl)cc(F)cc1Br)[NH+](C)C ZINC000657091469 566221941 /nfs/dbraw/zinc/22/19/41/566221941.db2.gz OFHOZDCBIFHOKS-QMMMGPOBSA-N 1 0 387.702 2.860 20 0 GFADRO C[C@H](CCNS(=O)(=O)c1cc(Br)cc2cccnc21)[NH+](C)C ZINC000657093016 566221645 /nfs/dbraw/zinc/22/16/45/566221645.db2.gz VPENUNZTOAFFCV-LLVKDONJSA-N 1 0 386.315 2.616 20 0 GFADRO COCCOc1c(Cl)cc(S(=O)(=O)NCC[C@@H](C)[NH+](C)C)cc1Cl ZINC000657090734 566222148 /nfs/dbraw/zinc/22/21/48/566222148.db2.gz IMTBXCPGHXVDMC-LLVKDONJSA-N 1 0 399.340 2.637 20 0 GFADRO C[N@H+](CCN1CCOC(C)(C)C1)C[C@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000684002850 566222459 /nfs/dbraw/zinc/22/24/59/566222459.db2.gz BBVFKBLHJNRQOT-AWEZNQCLSA-N 1 0 391.339 2.776 20 0 GFADRO Cc1nc(CS(=O)(=O)NCC2CC[NH+](Cc3cccs3)CC2)cs1 ZINC000684098970 566226199 /nfs/dbraw/zinc/22/61/99/566226199.db2.gz JHJNYXYTRMSQOH-UHFFFAOYSA-N 1 0 385.580 2.845 20 0 GFADRO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)c1cnnn1-c1c(Cl)cccc1Cl ZINC000684573122 566238682 /nfs/dbraw/zinc/23/86/82/566238682.db2.gz QDLWTBWABUVCPE-GFCCVEGCSA-N 1 0 380.279 2.788 20 0 GFADRO Cn1cc([C@@H]2NC(=O)CC[C@H]2[NH2+]Cc2ccc(Cl)cc2Br)cn1 ZINC000275436220 570692604 /nfs/dbraw/zinc/69/26/04/570692604.db2.gz FPJCAMZDJBETFG-ZBFHGGJFSA-N 1 0 397.704 2.946 20 0 GFADRO O=C(CC[N@@H+]1CCC[C@@H](Oc2ccccc2)C1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000737842959 598833963 /nfs/dbraw/zinc/83/39/63/598833963.db2.gz GAOFIYLIPDTPAV-LJQANCHMSA-N 1 0 392.463 2.739 20 0 GFADRO CCC[N@H+](C[C@H]1CCCCO1)Cn1c(C)nnc1-c1cccc(-c2nn[nH]n2)c1 ZINC000736469319 598851033 /nfs/dbraw/zinc/85/10/33/598851033.db2.gz DDRIPKLUYNIJOZ-GOSISDBHSA-N 1 0 396.499 2.672 20 0 GFADRO Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)n1C[N@H+](C)CCc1ccc(F)cc1 ZINC000737526228 598852313 /nfs/dbraw/zinc/85/23/13/598852313.db2.gz YXQWIEKCCMUMMG-UHFFFAOYSA-N 1 0 392.442 2.705 20 0 GFADRO COC(=O)[C@H](c1ccc(-c2nn[nH]n2)cc1)[N@@H+]1C[C@@H](c2ccccc2)C[C@@H]1C ZINC000736901939 598864067 /nfs/dbraw/zinc/86/40/67/598864067.db2.gz POZHZGNLRFRRGL-JVPBZIDWSA-N 1 0 377.448 2.959 20 0 GFADRO OCC[N@H+](CCOc1ccccc1-c1nn[nH]n1)[C@@H]1CCCc2ccccc21 ZINC000738394891 598899109 /nfs/dbraw/zinc/89/91/09/598899109.db2.gz YTLHIEYVLWPZJK-LJQANCHMSA-N 1 0 379.464 2.617 20 0 GFADRO FC(F)(F)c1ccc(C[N@@H+]2CC[C@H](Nc3ccc(-c4nn[nH]n4)cn3)C2)cc1 ZINC000737635920 598914866 /nfs/dbraw/zinc/91/48/66/598914866.db2.gz QCUOQWZEBFHXEI-HNNXBMFYSA-N 1 0 389.385 2.967 20 0 GFADRO C[N@H+](CCC(=O)Nc1sccc1-c1nn[nH]n1)[C@H]1CCc2ccccc2C1 ZINC000736793095 598916618 /nfs/dbraw/zinc/91/66/18/598916618.db2.gz RNAIYDXOOCFVCB-HNNXBMFYSA-N 1 0 382.493 2.746 20 0 GFADRO CC(C)C[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)C[C@@H](O)COCc1ccccc1 ZINC000735830440 598922321 /nfs/dbraw/zinc/92/23/21/598922321.db2.gz FNBCGINZTRYILG-OAQYLSRUSA-N 1 0 395.507 2.902 20 0 GFADRO O=C(CCc1ccc(-c2nn[nH]n2)cc1)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000737851754 598928416 /nfs/dbraw/zinc/92/84/16/598928416.db2.gz ISDHDXOMEPJCAR-FQEVSTJZSA-N 1 0 390.491 2.580 20 0 GFADRO Cc1ccccc1C[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000737425847 598947931 /nfs/dbraw/zinc/94/79/31/598947931.db2.gz FCOFVRCEBOIBIK-IBGZPJMESA-N 1 0 376.464 2.821 20 0 GFADRO Cc1cc(C)cc([C@H](C)[NH2+][C@H]2CCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)c1 ZINC000737252523 598961700 /nfs/dbraw/zinc/96/17/00/598961700.db2.gz IIZPCXBFOBTRJI-KXBFYZLASA-N 1 0 376.464 2.940 20 0 GFADRO CCC[N@H+](CCOc1ccc(-c2nn[nH]n2)cc1OC)C[C@@H]1CCCCO1 ZINC000736478471 598985322 /nfs/dbraw/zinc/98/53/22/598985322.db2.gz BEFKJGQPRBKZOK-INIZCTEOSA-N 1 0 375.473 2.535 20 0 GFADRO C[NH+](C)CCN(C(=O)Nc1cc(-c2nn[nH]n2)cn1C(C)(C)C)C1CCCC1 ZINC000736767324 599010437 /nfs/dbraw/zinc/01/04/37/599010437.db2.gz ONQFKAFGXNOQAZ-UHFFFAOYSA-N 1 0 388.520 2.761 20 0 GFADRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)c1ccccc1-c1ccccc1-c1nn[nH]n1 ZINC000736858848 599034163 /nfs/dbraw/zinc/03/41/63/599034163.db2.gz VDQUYESJJYNJCT-MRXNPFEDSA-N 1 0 390.491 2.948 20 0 GFADRO O=C(OCc1ccccc1-c1nn[nH]n1)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000738235956 599058220 /nfs/dbraw/zinc/05/82/20/599058220.db2.gz ZAISJVBMIMGYBE-INIZCTEOSA-N 1 0 395.438 2.961 20 0 GFADRO O=C(OCc1ccc(-c2nn[nH]n2)cc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000738237042 599058238 /nfs/dbraw/zinc/05/82/38/599058238.db2.gz WLEOJKHOHAWCKY-UHFFFAOYSA-N 1 0 377.448 2.822 20 0 GFADRO C[N@@H+]1CCC[C@H](CNC(=O)Cc2ccc(-c3nn[nH]n3)cc2)[C@@H]1c1cccs1 ZINC000736858184 599085618 /nfs/dbraw/zinc/08/56/18/599085618.db2.gz QWGCCFIWLBZQBN-VQIMIIECSA-N 1 0 396.520 2.670 20 0 GFADRO CC(C)(C[NH2+][C@@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1)c1ccc(Cl)cc1 ZINC000735670754 599092702 /nfs/dbraw/zinc/09/27/02/599092702.db2.gz WAIHARPUEVRNBM-MRXNPFEDSA-N 1 0 384.871 2.614 20 0 GFADRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(Cl)c(-c2nn[nH]n2)n1 ZINC000821597804 599107432 /nfs/dbraw/zinc/10/74/32/599107432.db2.gz HYWDQIVCDLQNNF-OAHLLOKOSA-N 1 0 383.887 2.873 20 0 GFADRO O=C(c1ccc(C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)cc1)N1CCCCC1 ZINC000738257035 599124916 /nfs/dbraw/zinc/12/49/16/599124916.db2.gz COTYLNSZUDLPAZ-UHFFFAOYSA-N 1 0 376.464 2.783 20 0 GFADRO Cc1nc(C)c(C[N@@H+]2CCCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)s1 ZINC000737472965 599131553 /nfs/dbraw/zinc/13/15/53/599131553.db2.gz CFXQMQVEKHCZMZ-UHFFFAOYSA-N 1 0 383.525 2.648 20 0 GFADRO C[NH+](C)Cc1cc(CNC(=O)Nc2ccc(F)c(-c3nn[nH]n3)c2)ccc1F ZINC000736771415 599147678 /nfs/dbraw/zinc/14/76/78/599147678.db2.gz KNEFBFBOZLICPQ-UHFFFAOYSA-N 1 0 387.394 2.528 20 0 GFADRO FC(F)Oc1ccccc1N1CC[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC000737639065 599213577 /nfs/dbraw/zinc/21/35/77/599213577.db2.gz MGBSVHAZNXHJEU-HNNXBMFYSA-N 1 0 386.406 2.837 20 0 GFADRO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)Nc1cc(-c2nn[nH]n2)cn1C(C)(C)C ZINC000736293613 599239984 /nfs/dbraw/zinc/23/99/84/599239984.db2.gz PBQVSHAZAXLMSF-UKRRQHHQSA-N 1 0 386.504 2.514 20 0 GFADRO CC[N@H+](C)Cc1cccc(CNC(=O)Nc2cccc(-c3nn[nH]n3)c2C)c1 ZINC000821164354 607281422 /nfs/dbraw/zinc/28/14/22/607281422.db2.gz CRNMMBUAOMMZRG-UHFFFAOYSA-N 1 0 379.468 2.949 20 0 GFADRO Cc1c(NC(=O)N2CC[NH+](C3CCC(C)CC3)CC2)cccc1-c1nn[nH]n1 ZINC000822085091 607282521 /nfs/dbraw/zinc/28/25/21/607282521.db2.gz WDHXKAZZWDILJP-UHFFFAOYSA-N 1 0 383.500 2.903 20 0 GFADRO CCOc1ccc(-c2nn[nH]n2)cc1NC(=O)NC[C@@H](C(CC)CC)[NH+](C)C ZINC000821406483 599264995 /nfs/dbraw/zinc/26/49/95/599264995.db2.gz GAYORXWUPWYXTQ-INIZCTEOSA-N 1 0 389.504 2.753 20 0 GFADRO O=C(C[NH+]1CCCCCC1)Nc1cccc(NCc2ccc(-c3nn[nH]n3)o2)c1 ZINC000822997547 607315202 /nfs/dbraw/zinc/31/52/02/607315202.db2.gz RSYOXDHIFZVRCS-UHFFFAOYSA-N 1 0 395.467 2.886 20 0 GFADRO CC(C)[NH2+][C@@H]1CCCN(C(=O)Nc2ccc(-c3nn[nH]n3)c(C(F)(F)F)c2)C1 ZINC000820137399 599290773 /nfs/dbraw/zinc/29/07/73/599290773.db2.gz KBYYTXQPRPCLQN-GFCCVEGCSA-N 1 0 397.405 2.880 20 0 GFADRO C[C@@H](C[NH+]1CCCCC1)NC(=O)Nc1ccc(-c2nn[nH]n2)c(C(F)(F)F)c1 ZINC000820262798 599291045 /nfs/dbraw/zinc/29/10/45/599291045.db2.gz ZENCSFNGQFLMRM-NSHDSACASA-N 1 0 397.405 2.881 20 0 GFADRO CN1CC[N@H+](CCCNc2ccc(-c3nn[nH]n3)cc2F)[C@@H](c2ccccc2)C1 ZINC000736863633 598236501 /nfs/dbraw/zinc/23/65/01/598236501.db2.gz MQWWAHHBXZTSRB-HXUWFJFHSA-N 1 0 395.486 2.797 20 0 GFADRO CN(C[C@H]1CC[N@H+](Cc2cc(-c3nn[nH]n3)ccc2F)C1)C(=O)OC(C)(C)C ZINC000736793758 598246952 /nfs/dbraw/zinc/24/69/52/598246952.db2.gz YZBSYTZAVCWGBM-CYBMUJFWSA-N 1 0 390.463 2.695 20 0 GFADRO Cc1ccc(C)n1C1CC[NH+](CCC(=O)Nc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000737328157 598249843 /nfs/dbraw/zinc/24/98/43/598249843.db2.gz DINPVLTZSGYCNP-UHFFFAOYSA-N 1 0 393.495 2.951 20 0 GFADRO S=C(NCCC[NH+]1CCCCC1)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000738400529 598319344 /nfs/dbraw/zinc/31/93/44/598319344.db2.gz GBQOFGCRLYACIH-UHFFFAOYSA-N 1 0 379.921 2.683 20 0 GFADRO CCC[NH+]1CCC(CNC(=S)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)CC1 ZINC000736479876 598323724 /nfs/dbraw/zinc/32/37/24/598323724.db2.gz KUAFTUMGHCWCIQ-UHFFFAOYSA-N 1 0 393.948 2.929 20 0 GFADRO C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNc2nccnc2-c2nn[nH]n2)C1 ZINC000736227556 598344817 /nfs/dbraw/zinc/34/48/17/598344817.db2.gz LKORNERBJCEJBY-GJZGRUSLSA-N 1 0 378.484 2.747 20 0 GFADRO CC[N@H+](CCNC(=O)Nc1cc(-c2nn[nH]n2)ccc1OC(C)C)C(C)C ZINC000736536210 598361990 /nfs/dbraw/zinc/36/19/90/598361990.db2.gz FGGUQKUPKGOSPZ-UHFFFAOYSA-N 1 0 375.477 2.506 20 0 GFADRO c1ncn(C[C@H]2CCC[N@@H+]2Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)n1 ZINC000738421720 598368935 /nfs/dbraw/zinc/36/89/35/598368935.db2.gz FEEXELAWMPMJED-GOSISDBHSA-N 1 0 386.463 2.790 20 0 GFADRO Clc1ccc(C2(C[NH2+]Cc3cnc4c(-c5nn[nH]n5)cnn4c3)CCC2)cc1 ZINC000737570435 598397626 /nfs/dbraw/zinc/39/76/26/598397626.db2.gz HIBVFYVJJSDLLE-UHFFFAOYSA-N 1 0 394.870 2.774 20 0 GFADRO CCC[N@H+](CCC(=O)Nc1sccc1-c1nn[nH]n1)C[C@@H]1CCCCO1 ZINC000736472053 598404879 /nfs/dbraw/zinc/40/48/79/598404879.db2.gz SNKJYPUSLRABBL-ZDUSSCGKSA-N 1 0 378.502 2.538 20 0 GFADRO O=C(CC[N@H+]1CC[C@H](c2ccccc2F)C1)Nc1sccc1-c1nn[nH]n1 ZINC000737838215 598418642 /nfs/dbraw/zinc/41/86/42/598418642.db2.gz KPVDCJPVVDPSCN-LBPRGKRZSA-N 1 0 386.456 2.885 20 0 GFADRO CC(C)N(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000735875346 598428909 /nfs/dbraw/zinc/42/89/09/598428909.db2.gz UIBFRRAADAVXQF-UHFFFAOYSA-N 1 0 397.527 2.661 20 0 GFADRO COc1ccc([C@H]([NH2+]CC(=O)Nc2ccc(-c3nn[nH]n3)cc2)C(C)C)cc1 ZINC000737073516 598431476 /nfs/dbraw/zinc/43/14/76/598431476.db2.gz CSACXHKCQZYWOK-LJQANCHMSA-N 1 0 380.452 2.801 20 0 GFADRO COC1CC[NH+](C2(CNc3nc(C)cc(C)c3-c3nn[nH]n3)CCCC2)CC1 ZINC000736962080 598468423 /nfs/dbraw/zinc/46/84/23/598468423.db2.gz NZDHNFUONXKIBH-UHFFFAOYSA-N 1 0 385.516 2.714 20 0 GFADRO c1cnc2ccc(C[NH2+]C3CCN(c4ccc(-c5nn[nH]n5)cn4)CC3)cc2c1 ZINC000738446263 598468887 /nfs/dbraw/zinc/46/88/87/598468887.db2.gz SXNAPOPCUKUEFI-UHFFFAOYSA-N 1 0 386.463 2.569 20 0 GFADRO C[C@@H]([NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1ccc(Cl)cc1Cl ZINC000736135264 598516965 /nfs/dbraw/zinc/51/69/65/598516965.db2.gz OMURZHGBSQPNBC-ZJUUUORDSA-N 1 0 393.282 2.763 20 0 GFADRO C[C@@H]([NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1ccc(Cl)c(Cl)c1 ZINC000736134156 598517089 /nfs/dbraw/zinc/51/70/89/598517089.db2.gz JTPYXUULWXOCCY-NXEZZACHSA-N 1 0 393.282 2.763 20 0 GFADRO CCc1ccc([C@H]([NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)C(C)C)cc1 ZINC000736686503 598518770 /nfs/dbraw/zinc/51/87/70/598518770.db2.gz OSVWVWYUKJHEBG-CRAIPNDOSA-N 1 0 380.500 2.654 20 0 GFADRO C[NH+](C)[C@@H]1CCN(C(=O)Nc2ccc(Oc3cccc(-c4nn[nH]n4)c3)cc2)C1 ZINC000736756430 598565126 /nfs/dbraw/zinc/56/51/26/598565126.db2.gz IFXBGATXOQPWPY-MRXNPFEDSA-N 1 0 393.451 2.827 20 0 GFADRO C[C@H](CNc1ccc(Cl)c(-c2nn[nH]n2)n1)[N@@H+]1CCc2sccc2C1 ZINC000736026461 598572054 /nfs/dbraw/zinc/57/20/54/598572054.db2.gz OEQDOIGHUBPVBN-SNVBAGLBSA-N 1 0 375.889 2.835 20 0 GFADRO C[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000736818533 598580094 /nfs/dbraw/zinc/58/00/94/598580094.db2.gz SAPSYHNGQHVQNT-INIZCTEOSA-N 1 0 386.500 2.946 20 0 GFADRO COc1ccc(C[NH+](C)C)cc1NC(=O)CSc1ccc(-c2nn[nH]n2)cc1 ZINC000737090240 598653952 /nfs/dbraw/zinc/65/39/52/598653952.db2.gz KLIIJWSXDLGARK-UHFFFAOYSA-N 1 0 398.492 2.668 20 0 GFADRO CC(C)(C)OC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1-c1nn[nH]n1 ZINC000735636583 598681245 /nfs/dbraw/zinc/68/12/45/598681245.db2.gz ZRIUNWXLEDMCIZ-HNNXBMFYSA-N 1 0 390.463 2.885 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)c1cccc(Oc2ccc(-c3nn[nH]n3)cc2)c1)C1CC1 ZINC000736762975 598698766 /nfs/dbraw/zinc/69/87/66/598698766.db2.gz YYXYNEWXCIPKJR-IBGZPJMESA-N 1 0 392.463 2.729 20 0 GFADRO C[C@@H](c1ccncc1)[NH+]1CCN(c2c(-c3nn[nH]n3)cnc3ccccc32)CC1 ZINC000736202291 598701387 /nfs/dbraw/zinc/70/13/87/598701387.db2.gz IKKQZNGOTUYIOQ-HNNXBMFYSA-N 1 0 386.463 2.693 20 0 GFADRO Fc1cccc(F)c1CN1CCC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000737662586 598712571 /nfs/dbraw/zinc/71/25/71/598712571.db2.gz WIWUYSCRDINVBJ-MRXNPFEDSA-N 1 0 384.434 2.899 20 0 GFADRO C[C@H]1c2ccccc2OCC[N@H+]1CCC(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000736302358 598763078 /nfs/dbraw/zinc/76/30/78/598763078.db2.gz GPRSKEWCVMKUCU-AWEZNQCLSA-N 1 0 378.436 2.651 20 0 GFADRO CSc1ccccc1C(=O)N(CC[NH+](C)C)Cc1cccc(-c2nn[nH]n2)c1 ZINC000737191562 598805867 /nfs/dbraw/zinc/80/58/67/598805867.db2.gz OOPJDSGHTLLWMN-UHFFFAOYSA-N 1 0 396.520 2.793 20 0 GFADRO C[C@H](C(=O)Nc1cccc(-c2nn[nH]n2)c1)N1CCC[C@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000735561432 598809317 /nfs/dbraw/zinc/80/93/17/598809317.db2.gz KDDUOGBUULRGNW-OLMMMNRUSA-N 1 0 397.527 2.531 20 0 GFADRO C[C@H](C(=O)Nc1ccccc1-c1nn[nH]n1)N1CCC[C@H]([NH+]2[C@H](C)CC[C@H]2C)C1 ZINC000735564947 598809421 /nfs/dbraw/zinc/80/94/21/598809421.db2.gz ZOIYBHGSQAMAIW-VQHPVUNQSA-N 1 0 397.527 2.531 20 0 GFADRO CC(=O)Nc1cccc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2cccc(-c3nn[nH]n3)c2)c1 ZINC000819827600 599386130 /nfs/dbraw/zinc/38/61/30/599386130.db2.gz SVPNWTSMAIOEKD-CHWSQXEVSA-N 1 0 393.451 2.503 20 0 GFADRO COc1ccccc1[C@H](C)NC(=O)[C@H](C)[NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1 ZINC000821882450 599387756 /nfs/dbraw/zinc/38/77/56/599387756.db2.gz BBEDNAVMKNFWPR-KKUMJFAQSA-N 1 0 394.479 2.792 20 0 GFADRO C[C@H]([NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1)C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000820413632 599388489 /nfs/dbraw/zinc/38/84/89/599388489.db2.gz SUOLTTBLDGFRNL-GKIRDALASA-N 1 0 394.523 2.991 20 0 GFADRO COc1ccc(C[NH2+]C[C@@H](c2cccs2)N2CCCC2)cc1-c1nn[nH]n1 ZINC000821810306 599392138 /nfs/dbraw/zinc/39/21/38/599392138.db2.gz YBZCIGGJAJXFKI-INIZCTEOSA-N 1 0 384.509 2.864 20 0 GFADRO COc1ccc(C[NH2+]C[C@H](c2cccs2)N2CCCC2)cc1-c1nn[nH]n1 ZINC000821810308 599392391 /nfs/dbraw/zinc/39/23/91/599392391.db2.gz YBZCIGGJAJXFKI-MRXNPFEDSA-N 1 0 384.509 2.864 20 0 GFADRO Cc1cccc(-c2n[nH]cc2C[NH2+]CCOc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000822283807 599452169 /nfs/dbraw/zinc/45/21/69/599452169.db2.gz DOCWTIMECKWGIE-UHFFFAOYSA-N 1 0 375.436 2.734 20 0 GFADRO Cc1ccc(N2CCC[C@@H]([NH2+]Cc3cnc4ccc(-c5nn[nH]n5)cn34)C2)cc1 ZINC000822240927 599455200 /nfs/dbraw/zinc/45/52/00/599455200.db2.gz FFCXWMBPYAGQQK-QGZVFWFLSA-N 1 0 388.479 2.581 20 0 GFADRO O[C@H]1CCC[C@H]1C[NH2+]Cc1cccc(OCc2cccc(-c3nn[nH]n3)c2)c1 ZINC000823697158 599459156 /nfs/dbraw/zinc/45/91/56/599459156.db2.gz JYGAFJJMSXUQGZ-ICSRJNTNSA-N 1 0 379.464 2.696 20 0 GFADRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNc1c(-c2nn[nH]n2)cnc2c(F)ccc(F)c21 ZINC000820699241 599543530 /nfs/dbraw/zinc/54/35/30/599543530.db2.gz YLDWWXXIHNAKQX-TXEJJXNPSA-N 1 0 387.438 2.790 20 0 GFADRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)Nc1cc(-c2nn[nH]n2)cn1C(C)(C)C ZINC000821599131 599553240 /nfs/dbraw/zinc/55/32/40/599553240.db2.gz GRFURTJRDYFLIB-HNNXBMFYSA-N 1 0 388.520 2.761 20 0 GFADRO Clc1cccc(CN2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)n1 ZINC000822585574 599560342 /nfs/dbraw/zinc/56/03/42/599560342.db2.gz FVXLSJOZAQLWRR-UHFFFAOYSA-N 1 0 383.887 2.623 20 0 GFADRO C[C@@H](C(=O)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)c1ccsc1 ZINC000735521370 599561487 /nfs/dbraw/zinc/56/14/87/599561487.db2.gz UHRIPAKDDHONEL-OAHLLOKOSA-N 1 0 396.520 2.766 20 0 GFADRO Cc1ccccc1[C@H]1C[C@@H](C)[N@@H+](CC(=O)Nc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000737419991 599584996 /nfs/dbraw/zinc/58/49/96/599584996.db2.gz GMKCRWJCBQZNJS-WBVHZDCISA-N 1 0 376.464 2.992 20 0 GFADRO c1c(C[N@@H+]2CCC[C@H](c3nnc4ccccn43)C2)c(-c2nn[nH]n2)c2ccccn12 ZINC000738446184 599587597 /nfs/dbraw/zinc/58/75/97/599587597.db2.gz UWVGWHNATOSPOR-HNNXBMFYSA-N 1 0 399.462 2.542 20 0 GFADRO C[C@@H]1c2ccc(F)cc2CC[N@H+]1CCC(=O)Nc1ccccc1-c1nn[nH]n1 ZINC000736304087 599591747 /nfs/dbraw/zinc/59/17/47/599591747.db2.gz NXTZTTAXKRDJNQ-CYBMUJFWSA-N 1 0 380.427 2.954 20 0 GFADRO CN(C)c1ccccc1C[NH+]1CCC(Oc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000821591044 599637454 /nfs/dbraw/zinc/63/74/54/599637454.db2.gz RVNHVTJIZBSEAC-UHFFFAOYSA-N 1 0 378.480 2.976 20 0 GFADRO C[N@H+](CCC(=O)Nc1cccc(-c2nn[nH]n2)c1)[C@@H]1CCc2ccccc2C1 ZINC000821598349 599638555 /nfs/dbraw/zinc/63/85/55/599638555.db2.gz ZIEDCHSLFMPRLL-LJQANCHMSA-N 1 0 376.464 2.685 20 0 GFADRO C[C@H]1c2c(F)cccc2CC[N@H+]1CCC(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000820818758 599639227 /nfs/dbraw/zinc/63/92/27/599639227.db2.gz BDGFPYMJOASWPS-ZDUSSCGKSA-N 1 0 380.427 2.954 20 0 GFADRO CCC[N@H+](CCC(=O)Nc1cccc(-c2nn[nH]n2)c1)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000821094792 599639369 /nfs/dbraw/zinc/63/93/69/599639369.db2.gz QOGCJWFCTKVKDI-UHOSZYNNSA-N 1 0 398.511 2.721 20 0 GFADRO C[C@@H]1C[NH+](CCC(=O)Nc2sc3c(c2-c2nn[nH]n2)CCC3)C[C@@H](C)S1 ZINC000820759318 599642317 /nfs/dbraw/zinc/64/23/17/599642317.db2.gz JGPDEAUODLEAKN-GHMZBOCLSA-N 1 0 392.554 2.571 20 0 GFADRO CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)N[C@H](C)c1ccc(-c3nn[nH]n3)cc1)CC2 ZINC000820352560 599670445 /nfs/dbraw/zinc/67/04/45/599670445.db2.gz VZXDMSLKBVPTGA-OLMNPRSZSA-N 1 0 383.500 2.584 20 0 GFADRO C[C@@H](NC(=O)NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1)c1cccc(-c2nn[nH]n2)c1 ZINC000820697656 599671812 /nfs/dbraw/zinc/67/18/12/599671812.db2.gz JWQZSESCZIARLA-STXHMFSFSA-N 1 0 385.516 2.737 20 0 GFADRO CC[N@H+](CC(=O)Nc1c(-c2nn[nH]n2)c(C)c(C)n1-c1ccccc1)C(C)C ZINC000821165456 599690769 /nfs/dbraw/zinc/69/07/69/599690769.db2.gz SKQOZXKPEZGPIZ-UHFFFAOYSA-N 1 0 381.484 2.943 20 0 GFADRO CC[NH+](CC)[C@H]1CCN(C(=O)Nc2ccc(OC(C)C)c(-c3nn[nH]n3)c2)C1 ZINC000821180989 607435075 /nfs/dbraw/zinc/43/50/75/607435075.db2.gz IKZCRJTYWMVYBQ-HNNXBMFYSA-N 1 0 387.488 2.602 20 0 GFADRO CN(C(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc(-c2nn[nH]n2)cc1 ZINC000825812421 607441416 /nfs/dbraw/zinc/44/14/16/607441416.db2.gz KNDNMBPEOMJQCH-SFHVURJKSA-N 1 0 376.464 2.742 20 0 GFADRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC1(c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000824875725 607452848 /nfs/dbraw/zinc/45/28/48/607452848.db2.gz OCEKCBFSCMOCBY-OWCLPIDISA-N 1 0 397.527 2.521 20 0 GFADRO CS[C@H]1CCCC[N@H+](CC(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)C1 ZINC000826227205 607475247 /nfs/dbraw/zinc/47/52/47/607475247.db2.gz NPEIXPHKELRLPS-LBPRGKRZSA-N 1 0 380.905 2.676 20 0 GFADRO COc1ccccc1N1CC[C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC000821898502 607476818 /nfs/dbraw/zinc/47/68/18/607476818.db2.gz PKDBDHPEVKLZSE-AWEZNQCLSA-N 1 0 382.443 2.631 20 0 GFADRO O=C(C[C@H]1CCC[N@H+]1C[C@H](O)c1ccc(-c2nn[nH]n2)cc1)c1ccc(F)cc1 ZINC000826404995 607478523 /nfs/dbraw/zinc/47/85/23/607478523.db2.gz SBUPNTHECTXCFR-QUCCMNQESA-N 1 0 395.438 2.777 20 0 GFADRO COc1cc(OC)cc(OCCC[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)c1 ZINC000821724467 607487365 /nfs/dbraw/zinc/48/73/65/607487365.db2.gz VMUXYUYJSYVAJE-UHFFFAOYSA-N 1 0 387.415 2.582 20 0 GFADRO COc1ccc(CC[N@@H+](Cc2ccnc(-c3nn[nH]n3)c2)CC(C)C)cc1OC ZINC000826192445 607501350 /nfs/dbraw/zinc/50/13/50/607501350.db2.gz NVWOKUXDNFUXTN-UHFFFAOYSA-N 1 0 396.495 2.980 20 0 GFADRO Cc1c(NC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cccc1-c1nn[nH]n1 ZINC000822084520 607508102 /nfs/dbraw/zinc/50/81/02/607508102.db2.gz LQOOAKUHKKJZFZ-RDTXWAMCSA-N 1 0 381.484 2.656 20 0 GFADRO COc1ccc(C[NH+]2CCC(C[NH2+]C[C@@H]3CCCN(C(=O)[O-])C3)CC2)cc1 ZINC000739903001 603271847 /nfs/dbraw/zinc/27/18/47/603271847.db2.gz GIJJYCQZTREGNH-IBGZPJMESA-N 1 0 375.513 2.887 20 0 GFADRO CC[NH+]1CCN(Cc2ccccc2C[NH2+]Cc2ccc(NC(=O)[O-])nc2)CC1 ZINC000827229150 603538455 /nfs/dbraw/zinc/53/84/55/603538455.db2.gz VOZZEPICIUEZIZ-UHFFFAOYSA-N 1 0 383.496 2.599 20 0 GFADRO COc1ccc(-c2nn[nH]n2)cc1CN(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000826181638 607636935 /nfs/dbraw/zinc/63/69/35/607636935.db2.gz IIHYDLWNCGHUDK-SFHVURJKSA-N 1 0 392.507 2.829 20 0 GFADRO COc1ccc(-c2nn[nH]n2)cc1CN1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000826182852 607637484 /nfs/dbraw/zinc/63/74/84/607637484.db2.gz WGFDECGEQYFLTC-QGZVFWFLSA-N 1 0 392.507 2.972 20 0 GFADRO CC[C@@H](CNC(=O)c1ccc(-c2nn[nH]n2)cc1C)[N@@H+]1CCc2ccccc2C1 ZINC000825121746 607661079 /nfs/dbraw/zinc/66/10/79/607661079.db2.gz VGBYZQROXDFHPG-IBGZPJMESA-N 1 0 390.491 2.742 20 0 GFADRO C[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)C[C@@H](O)Cc1ccccc1C(F)(F)F ZINC000825957859 607687358 /nfs/dbraw/zinc/68/73/58/607687358.db2.gz IKGIEKWWJWUSCG-INIZCTEOSA-N 1 0 391.397 2.921 20 0 GFADRO CC(C)[NH+]1CCN(C2CC[NH+](Cc3ccc(O[C@@H](C)C(=O)[O-])cc3)CC2)CC1 ZINC000833542251 604680514 /nfs/dbraw/zinc/68/05/14/604680514.db2.gz QLCOXMYCCXVECP-SFHVURJKSA-N 1 0 389.540 2.529 20 0 GFADRO C[C@@H](c1ccc(C(=O)[O-])o1)[NH+]1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000833545857 605048774 /nfs/dbraw/zinc/04/87/74/605048774.db2.gz ASUDYTWOTCAGAW-INIZCTEOSA-N 1 0 391.512 2.743 20 0 GFADRO c1ccc2c(c1)OCC[C@H]2C[NH2+]C1CCN(c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826524152 607750041 /nfs/dbraw/zinc/75/00/41/607750041.db2.gz LBMUGHLXPZVMQH-KRWDZBQOSA-N 1 0 390.491 2.991 20 0 GFADRO C[N@H+](Cc1ccccc1)[C@H]1CCN(Cc2cn3ccccc3c2-c2nn[nH]n2)C1 ZINC000821614321 606088506 /nfs/dbraw/zinc/08/85/06/606088506.db2.gz AICZVOHSVUDSFS-IBGZPJMESA-N 1 0 387.491 2.826 20 0 GFADRO C[C@@H](c1ccccn1)[NH+]1CCC(C(=O)Nc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000820571438 606110043 /nfs/dbraw/zinc/11/00/43/606110043.db2.gz YMLLLOOHUZZFIH-AWEZNQCLSA-N 1 0 377.452 2.673 20 0 GFADRO COc1ccc([C@H]2[C@H](COC(=O)c3ccc(-c4nn[nH]n4)s3)CC[N@@H+]2C)cc1 ZINC000821782262 606178649 /nfs/dbraw/zinc/17/86/49/606178649.db2.gz CHTBSXFETWGUBI-GUYCJALGSA-N 1 0 399.476 2.787 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)Cc2cccc(-c3nn[nH]n3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000820658365 606188079 /nfs/dbraw/zinc/18/80/79/606188079.db2.gz RPXBMKBBUDTJQL-OXQOHEQNSA-N 1 0 390.491 2.579 20 0 GFADRO C[C@@H]1CC[N@H+](CCS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)[C@@H]2CCCC[C@H]12 ZINC000820723128 606189163 /nfs/dbraw/zinc/18/91/63/606189163.db2.gz WMDSXKZQZLYQKY-ZTFGCOKTSA-N 1 0 389.525 2.541 20 0 GFADRO CC[NH+](CC)CCC[C@H](C)NC(=O)c1c(C)oc(-n2cccc2)c1-c1nn[nH]n1 ZINC000821189101 606196692 /nfs/dbraw/zinc/19/66/92/606196692.db2.gz HVRPNLBXVJBNSV-AWEZNQCLSA-N 1 0 399.499 2.799 20 0 GFADRO COc1ccc(Cl)cc1N1CC[C@@H]([NH2+]Cc2cc(-c3nn[nH]n3)cs2)C1 ZINC000821828272 606215993 /nfs/dbraw/zinc/21/59/93/606215993.db2.gz RNLZGOQCEZGLLZ-CYBMUJFWSA-N 1 0 390.900 2.959 20 0 GFADRO CC(C)C[C@H](CNC(=O)OC(C)(C)C)[NH2+]Cc1cc(-c2nn[nH]n2)cs1 ZINC000820056013 606217687 /nfs/dbraw/zinc/21/76/87/606217687.db2.gz MLYNAGHNJFCQCX-CYBMUJFWSA-N 1 0 380.518 2.957 20 0 GFADRO C[C@@H]([NH2+]C1(CNc2ccc(-c3nn[nH]n3)nc2)CCOCC1)c1ccccc1 ZINC000820413542 606219620 /nfs/dbraw/zinc/21/96/20/606219620.db2.gz ROHKUHWRIVDELG-OAHLLOKOSA-N 1 0 379.468 2.574 20 0 GFADRO Clc1cccc(-c2noc(CC[NH2+]Cc3cc(-c4nn[nH]n4)cs3)n2)c1 ZINC000822586232 606220715 /nfs/dbraw/zinc/22/07/15/606220715.db2.gz UOVHXERIHWJYJZ-UHFFFAOYSA-N 1 0 387.856 2.964 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCN(c2sccc2-c2nn[nH]n2)C1=O)c1ccc(F)c(F)c1 ZINC000820420453 606297887 /nfs/dbraw/zinc/29/78/87/606297887.db2.gz RHPVYSVAPLXMRY-LKFCYVNXSA-N 1 0 390.419 2.663 20 0 GFADRO O=S(=O)(CC[NH2+]Cc1csc2ccccc12)c1ccc(-c2nn[nH]n2)cc1 ZINC000823562894 606310270 /nfs/dbraw/zinc/31/02/70/606310270.db2.gz WPMJQYOFGADMTF-UHFFFAOYSA-N 1 0 399.501 2.645 20 0 GFADRO CC(C)[N@H+](CCC(=O)Nc1cc(N)ccc1F)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000820116859 606317100 /nfs/dbraw/zinc/31/71/00/606317100.db2.gz QFAGCDJFLYQTEF-UHFFFAOYSA-N 1 0 397.458 2.827 20 0 GFADRO Cc1oc(NC(=O)C[N@H+]2CC[C@@H](c3ccccc3)[C@@H]2C)c(-c2nn[nH]n2)c1C ZINC000822548315 606336238 /nfs/dbraw/zinc/33/62/38/606336238.db2.gz HUZHIKRKFHQOOZ-XJKSGUPXSA-N 1 0 380.452 2.893 20 0 GFADRO CC(C)(C)OC(=O)NC[C@@](C)([NH2+]Cc1cc(-c2nn[nH]n2)cs1)C1CC1 ZINC000819940246 606337215 /nfs/dbraw/zinc/33/72/15/606337215.db2.gz UIVXJGMULWZWQM-QGZVFWFLSA-N 1 0 378.502 2.711 20 0 GFADRO FC(F)(F)[C@@H]1CCC[C@H](C[NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)C1 ZINC000822713965 606475827 /nfs/dbraw/zinc/47/58/27/606475827.db2.gz DGJFEFUCGBICKR-WCQYABFASA-N 1 0 379.390 2.973 20 0 GFADRO Cn1nccc1[C@@H]1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2OC(F)F)C1 ZINC000822708701 606484662 /nfs/dbraw/zinc/48/46/62/606484662.db2.gz BBJSIIHLCOWOFT-CYBMUJFWSA-N 1 0 389.410 2.581 20 0 GFADRO FC(F)Oc1cc(-c2nn[nH]n2)ccc1C[NH+]1CCC(n2cccn2)CC1 ZINC000822732624 606491285 /nfs/dbraw/zinc/49/12/85/606491285.db2.gz MSMACEQNKQFJLX-UHFFFAOYSA-N 1 0 375.383 2.502 20 0 GFADRO FC(F)Oc1cc(-c2nn[nH]n2)ccc1CN1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000822733354 606499666 /nfs/dbraw/zinc/49/96/66/606499666.db2.gz ZFMGLEQPCNTGNQ-INIZCTEOSA-N 1 0 392.454 2.918 20 0 GFADRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)c2cc(-c3nn[nH]n3)cs2)CC1 ZINC000821621986 606554271 /nfs/dbraw/zinc/55/42/71/606554271.db2.gz NZHWVDRNNCGBEP-UHFFFAOYSA-N 1 0 382.493 2.665 20 0 GFADRO C[N@@H+]1CCC[C@H](CNC(=O)Cc2cccc(-c3nn[nH]n3)c2)[C@H]1c1cccs1 ZINC000821623497 606572766 /nfs/dbraw/zinc/57/27/66/606572766.db2.gz MDKCTKZWLKPFTB-APWZRJJASA-N 1 0 396.520 2.670 20 0 GFADRO C[C@@H]([NH2+][C@@H]1CCN(c2c(F)cccc2F)C1=O)c1cccc(-c2nn[nH]n2)c1 ZINC000820414259 606712073 /nfs/dbraw/zinc/71/20/73/606712073.db2.gz XEWARBWOHBRLJK-BDJLRTHQSA-N 1 0 384.390 2.601 20 0 GFADRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCN(c3sccc3-c3nn[nH]n3)C2=O)cc1F ZINC000822229260 606716352 /nfs/dbraw/zinc/71/63/52/606716352.db2.gz QESGHZCPKATQFB-IAQYHMDHSA-N 1 0 386.456 2.832 20 0 GFADRO O=C(CC[N@H+]1CC[C@@H](c2ccc(F)cc2)C1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000822964603 606717490 /nfs/dbraw/zinc/71/74/90/606717490.db2.gz LNCMRIDHEFNWBU-MRXNPFEDSA-N 1 0 380.427 2.824 20 0 GFADRO Cc1ccc(OC(F)F)c(C[NH2+]CCOc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000822259296 606772451 /nfs/dbraw/zinc/77/24/51/606772451.db2.gz SPCTYDYPHKUKSX-UHFFFAOYSA-N 1 0 375.379 2.945 20 0 GFADRO Cc1nc2sccn2c1C[N@H+](C)Cc1cn2ccccc2c1-c1nn[nH]n1 ZINC000822467620 606789748 /nfs/dbraw/zinc/78/97/48/606789748.db2.gz QCLZIOGXXYIOJE-UHFFFAOYSA-N 1 0 378.465 2.769 20 0 GFADRO CCCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000821104977 606811456 /nfs/dbraw/zinc/81/14/56/606811456.db2.gz UGSCZWHPDCPSSG-MAUKXSAKSA-N 1 0 385.516 2.517 20 0 GFADRO C[N@@H+](Cc1ccccc1OC(F)(F)F)C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821615563 606850666 /nfs/dbraw/zinc/85/06/66/606850666.db2.gz CFSIURKXXLOOTF-OAHLLOKOSA-N 1 0 393.369 2.931 20 0 GFADRO C[C@H]([NH2+]C[C@H](O)c1ccc(-c2nn[nH]n2)cc1)c1ccccc1OC(F)F ZINC000820419853 606852187 /nfs/dbraw/zinc/85/21/87/606852187.db2.gz KVWRXTNUOYFODL-NHYWBVRUSA-N 1 0 375.379 2.852 20 0 GFADRO CC[C@H](C)C(=O)Nc1cccc(C[NH2+]C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)c1 ZINC000820864333 606853995 /nfs/dbraw/zinc/85/39/95/606853995.db2.gz XYLVKBTXKNIKKH-IFXJQAMLSA-N 1 0 394.479 2.675 20 0 GFADRO CCN(CC)[C@@H](C[NH2+]C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1)c1ccsc1 ZINC000821180249 606854112 /nfs/dbraw/zinc/85/41/12/606854112.db2.gz AROYDXLCFWDTFY-ZWKOTPCHSA-N 1 0 386.525 2.634 20 0 GFADRO C[C@H]1C[C@@H](NC(=O)Nc2ccc(-c3nn[nH]n3)cc2)C[N@@H+]1Cc1ccccc1 ZINC000820656124 606870841 /nfs/dbraw/zinc/87/08/41/606870841.db2.gz DDKFSJPBFYSNAD-KBXCAEBGSA-N 1 0 377.452 2.651 20 0 GFADRO FC(F)(F)c1cc(N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)ccc1-c1nn[nH]n1 ZINC000822723792 606877044 /nfs/dbraw/zinc/87/70/44/606877044.db2.gz OMHMSYOCHQWRNI-JKSUJKDBSA-N 1 0 396.417 2.941 20 0 GFADRO FC(F)(F)c1cc(N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)ccc1-c1nn[nH]n1 ZINC000822723791 606877211 /nfs/dbraw/zinc/87/72/11/606877211.db2.gz OMHMSYOCHQWRNI-HZPDHXFCSA-N 1 0 396.417 2.941 20 0 GFADRO c1ccc(C[N@H+]2CCCN(CCCOc3cccc(-c4nn[nH]n4)c3)CC2)cc1 ZINC000823779903 606884489 /nfs/dbraw/zinc/88/44/89/606884489.db2.gz KXPWTRIVXKEQNB-UHFFFAOYSA-N 1 0 392.507 2.844 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)C=Cc2ccccc2-c2nn[nH]n2)C[N@@H+]1Cc1ccccc1 ZINC000820658888 606903850 /nfs/dbraw/zinc/90/38/50/606903850.db2.gz VDTJKUSDLHKRHD-GXXWZAHFSA-N 1 0 388.475 2.659 20 0 GFADRO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1cc(-c2nn[nH]n2)ccc1OC(C)C ZINC000820993713 606915791 /nfs/dbraw/zinc/91/57/91/606915791.db2.gz ARITUQKIFMAZFU-HOTGVXAUSA-N 1 0 399.499 2.744 20 0 GFADRO Fc1ccc(CCN2CCC([NH2+]Cc3cccc(-c4nn[nH]n4)c3)CC2)cc1 ZINC000822766667 606997813 /nfs/dbraw/zinc/99/78/13/606997813.db2.gz MQMQMGYVPLCXQA-UHFFFAOYSA-N 1 0 380.471 2.803 20 0 GFADRO C[C@H](CC[NH2+]Cc1cccc(OCc2ccccc2-c2nn[nH]n2)c1)[S@](C)=O ZINC000820243209 607008892 /nfs/dbraw/zinc/00/88/92/607008892.db2.gz YDWCIHDVISFAKO-JMGYQRAPSA-N 1 0 399.520 2.692 20 0 GFADRO C[C@H](CC[NH2+]Cc1cccc(OCc2cccc(-c3nn[nH]n3)c2)c1)[S@](C)=O ZINC000820243001 607009153 /nfs/dbraw/zinc/00/91/53/607009153.db2.gz SUBXXZLBTGUUSJ-JMGYQRAPSA-N 1 0 399.520 2.692 20 0 GFADRO CC[C@H](C(=O)Nc1ccc(OCc2cccc(-c3nn[nH]n3)c2)c(F)c1)[NH+](C)C ZINC000820843340 607021486 /nfs/dbraw/zinc/02/14/86/607021486.db2.gz WPYOLZFJPUHBJB-QGZVFWFLSA-N 1 0 398.442 2.864 20 0 GFADRO C[C@H](CSC(C)(C)C)[NH2+]C1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1 ZINC000820295124 607045974 /nfs/dbraw/zinc/04/59/74/607045974.db2.gz YSFZZOZQGPDCCT-CYBMUJFWSA-N 1 0 375.546 2.740 20 0 GFADRO COc1ccccc1[C@H](C)[NH2+]C1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1 ZINC000821882658 607046810 /nfs/dbraw/zinc/04/68/10/607046810.db2.gz HDPIDLSXAIONEW-AWEZNQCLSA-N 1 0 379.468 2.590 20 0 GFADRO Fc1cccc2c1CC[C@@H]2[NH2+]C1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1 ZINC000822791244 607046939 /nfs/dbraw/zinc/04/69/39/607046939.db2.gz GCADAZSVLQPECO-SFHVURJKSA-N 1 0 379.443 2.647 20 0 GFADRO c1cc(N2CCC([NH2+]C3C4CC5CC(C4)CC3C5)CC2)ncc1-c1nn[nH]n1 ZINC000823751977 607047266 /nfs/dbraw/zinc/04/72/66/607047266.db2.gz UXMRBTZJNUNKAL-UHFFFAOYSA-N 1 0 379.512 2.645 20 0 GFADRO COc1cccc(NC(=O)C[C@H](C)[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)c1 ZINC000821873070 607059352 /nfs/dbraw/zinc/05/93/52/607059352.db2.gz QRODKQABHCNEBT-LBPRGKRZSA-N 1 0 384.415 2.521 20 0 GFADRO C[N@H+](Cc1cc(F)ccc1-c1nn[nH]n1)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000821607669 607066333 /nfs/dbraw/zinc/06/63/33/607066333.db2.gz YVKSJIYBXGKBBY-GOSISDBHSA-N 1 0 380.427 2.633 20 0 GFADRO CN(Cc1cc(F)ccc1-c1nn[nH]n1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000821607168 607069877 /nfs/dbraw/zinc/06/98/77/607069877.db2.gz BXOADZLNGGCKOQ-KRWDZBQOSA-N 1 0 380.471 2.960 20 0 GFADRO COc1cc(-c2nn[nH]n2)ccc1OCC[N@@H+]1CCC[C@H]1c1cccc(C)n1 ZINC000821702344 607074363 /nfs/dbraw/zinc/07/43/63/607074363.db2.gz QHWOETCWKQERFQ-KRWDZBQOSA-N 1 0 380.452 2.795 20 0 GFADRO C[C@H](Cc1ccc(O)cc1)[N@H+](C)CCC(=O)Nc1sccc1-c1nn[nH]n1 ZINC000820301381 607078044 /nfs/dbraw/zinc/07/80/44/607078044.db2.gz WRRDBSPCRFIQJG-GFCCVEGCSA-N 1 0 386.481 2.525 20 0 GFADRO C[NH+](C)CCN(Cc1ccc(F)cc1F)c1ncc(-c2nn[nH]n2)cc1Cl ZINC000821586307 607114779 /nfs/dbraw/zinc/11/47/79/607114779.db2.gz RYLRFAQFZQAMLI-UHFFFAOYSA-N 1 0 393.829 2.762 20 0 GFADRO C[C@@H](CNC(=O)Nc1ccc(-c2nn[nH]n2)cc1Cl)[N@@H+]1CCCC[C@H]1C ZINC000820706000 607199772 /nfs/dbraw/zinc/19/97/72/607199772.db2.gz XJVLNLHFEFCJNQ-NEPJUHHUSA-N 1 0 377.880 2.905 20 0 GFADRO OC[C@@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)Cc1ccccc1C(F)(F)F ZINC000823705982 607230188 /nfs/dbraw/zinc/23/01/88/607230188.db2.gz JRJKDBDFENUQGX-CQSZACIVSA-N 1 0 391.397 2.826 20 0 GFADRO OC[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)Cc1ccc(C(F)(F)F)cc1 ZINC000823707085 607230252 /nfs/dbraw/zinc/23/02/52/607230252.db2.gz WJENQBWXAWJVAX-HNNXBMFYSA-N 1 0 391.397 2.826 20 0 GFADRO CC[C@@H](CSc1ccccc1)[NH2+][C@@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000825128262 607784476 /nfs/dbraw/zinc/78/44/76/607784476.db2.gz SIDUWKAKXGIMOH-DOTOQJQBSA-N 1 0 382.493 2.554 20 0 GFADRO C[C@@H]1C[C@H](CCNC(=O)c2sccc2-c2nn[nH]n2)C[N@@H+]1Cc1ccccc1 ZINC000824885368 607802904 /nfs/dbraw/zinc/80/29/04/607802904.db2.gz SILJKZCIZUDHKS-ZBFHGGJFSA-N 1 0 396.520 2.959 20 0 GFADRO Cc1ccc([C@@H]([NH2+]CCS(=O)(=O)c2cccc(-c3nn[nH]n3)c2)C2CC2)cc1 ZINC000826284368 607814756 /nfs/dbraw/zinc/81/47/56/607814756.db2.gz RRRDESBQMAQQTH-LJQANCHMSA-N 1 0 397.504 2.690 20 0 GFADRO CC(C)c1ccc(C[NH2+]CCS(=O)(=O)c2cccc(-c3nn[nH]n3)c2)cc1 ZINC000824347858 607815224 /nfs/dbraw/zinc/81/52/24/607815224.db2.gz PSSLEGSWORIMSC-UHFFFAOYSA-N 1 0 385.493 2.554 20 0 GFADRO C[N@H+](Cc1ccccc1)CC(C)(C)NC(=O)NCc1cccc(-c2nn[nH]n2)c1 ZINC000825981603 607836709 /nfs/dbraw/zinc/83/67/09/607836709.db2.gz VFIBJRKJEKQAPK-UHFFFAOYSA-N 1 0 393.495 2.577 20 0 GFADRO COc1ccc(C[NH2+]Cc2ccc(OC(F)F)c(F)c2)cc1-c1nn[nH]n1 ZINC000826202975 607853473 /nfs/dbraw/zinc/85/34/73/607853473.db2.gz UWWIDYUPEZGBJQ-UHFFFAOYSA-N 1 0 379.342 2.906 20 0 GFADRO FC(F)Oc1cc(-c2nn[nH]n2)ccc1C[N@@H+]1CC[C@H](C2CCOCC2)C1 ZINC000826369874 607859240 /nfs/dbraw/zinc/85/92/40/607859240.db2.gz UMTROUYVGIVGGE-AWEZNQCLSA-N 1 0 379.411 2.717 20 0 GFADRO C[C@H]([NH2+]Cc1ccccc1-c1nn[nH]n1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000824617678 607909115 /nfs/dbraw/zinc/90/91/15/607909115.db2.gz JQLBGUKCNRKYNP-HOCLYGCPSA-N 1 0 386.500 2.992 20 0 GFADRO C[C@H](SCC[NH+](C)C)C(=O)Nc1sc2c(c1-c1nn[nH]n1)CCCCC2 ZINC000824757468 607932256 /nfs/dbraw/zinc/93/22/56/607932256.db2.gz XORKUKCWPIMWIS-NSHDSACASA-N 1 0 394.570 2.819 20 0 GFADRO CC[C@@H]1C[N@H+](Cc2cccc(-c3nn[nH]n3)c2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000825211322 607942111 /nfs/dbraw/zinc/94/21/11/607942111.db2.gz MDMJDCFTRLMJKQ-WBVHZDCISA-N 1 0 386.500 2.992 20 0 GFADRO Cc1cc(C[NH+](C)C)cc(NC(=O)[C@@H](C)Oc2ccccc2-c2nn[nH]n2)c1 ZINC000826266692 607999585 /nfs/dbraw/zinc/99/95/85/607999585.db2.gz XXSWMBGPRCLOCD-CQSZACIVSA-N 1 0 380.452 2.643 20 0 GFADRO COc1ccc([C@](C)(O)[C@H]2CCC[N@@H+]2Cc2ccc(F)c(-c3nn[nH]n3)c2)cc1 ZINC000826187739 608064592 /nfs/dbraw/zinc/06/45/92/608064592.db2.gz DAULWRPESXREQB-CTNGQTDRSA-N 1 0 397.454 2.887 20 0 GFADRO Cc1cccc([C@@H]2CC[N@@H+]([C@@H](C)C(=O)Nc3ccccc3-c3nn[nH]n3)C2)c1 ZINC000826297608 608127709 /nfs/dbraw/zinc/12/77/09/608127709.db2.gz MRKQPIJVYKGQRA-DOTOQJQBSA-N 1 0 376.464 2.992 20 0 GFADRO Cc1cc(C)cc([C@H]2CC[N@H+](CC(=O)Nc3ccc(-c4nn[nH]n4)cc3)C2)c1 ZINC000826264456 608128503 /nfs/dbraw/zinc/12/85/03/608128503.db2.gz PDACXTJDVHHHCE-KRWDZBQOSA-N 1 0 376.464 2.912 20 0 GFADRO Fc1ccc(-c2noc(CCC[NH2+]Cc3ccc(-c4nn[nH]n4)cc3F)n2)cc1 ZINC000826373610 608135047 /nfs/dbraw/zinc/13/50/47/608135047.db2.gz SPNKFSVIYBXKGC-UHFFFAOYSA-N 1 0 397.389 2.917 20 0 GFADRO C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)c1cccc(Oc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000824859264 608202226 /nfs/dbraw/zinc/20/22/26/608202226.db2.gz OYLBLUNUPMPJEN-GJZGRUSLSA-N 1 0 392.463 2.824 20 0 GFADRO CC[N@H+](CCC1CCN(C(=O)c2cccc(-c3nn[nH]n3)c2)CC1)CC1CC1 ZINC000825419050 608202518 /nfs/dbraw/zinc/20/25/18/608202518.db2.gz FFZWXHFVVRLMNZ-UHFFFAOYSA-N 1 0 382.512 2.841 20 0 GFADRO C[C@@H](C(=O)Nc1cccc(-c2nn[nH]n2)c1)[NH+]1CCC(Cc2cccnc2)CC1 ZINC000824047077 608208056 /nfs/dbraw/zinc/20/80/56/608208056.db2.gz WRJJDXNXJFGCEN-HNNXBMFYSA-N 1 0 391.479 2.543 20 0 GFADRO CN1CCO[C@@H]([C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)c2ccc(Cl)cc2)C1 ZINC000826044878 608243096 /nfs/dbraw/zinc/24/30/96/608243096.db2.gz LPWIYGGQJIPYJP-MOPGFXCFSA-N 1 0 398.898 2.682 20 0 GFADRO c1cc(N2CCC(CNc3nc4c(cc3-c3nn[nH]n3)CCCC4)CC2)cc[nH+]1 ZINC000826516652 608243317 /nfs/dbraw/zinc/24/33/17/608243317.db2.gz UZQOYIYRPVWPLT-UHFFFAOYSA-N 1 0 390.495 2.864 20 0 GFADRO c1cn(C[N@H+]2CCC[C@H](C[C@H]3CCOC3)C2)nc1-c1ccc(-c2nn[nH]n2)cc1 ZINC000826513259 608298622 /nfs/dbraw/zinc/29/86/22/608298622.db2.gz GBYGSXHDHBXYNY-IAGOWNOFSA-N 1 0 393.495 2.826 20 0 GFADRO COCC[N@H+](C)CCCC1CCN(c2snc(Cl)c2-c2nn[nH]n2)CC1 ZINC000826157895 608304070 /nfs/dbraw/zinc/30/40/70/608304070.db2.gz QESPEQXSGVNLEH-UHFFFAOYSA-N 1 0 399.952 2.551 20 0 GFADRO C[NH+](C)CCCC1CCN(c2nc(C(F)(F)F)ccc2-c2nn[nH]n2)CC1 ZINC000825860018 608304927 /nfs/dbraw/zinc/30/49/27/608304927.db2.gz KHFNCPDUABISDS-UHFFFAOYSA-N 1 0 383.422 2.839 20 0 GFADRO O[C@]1(Cc2cccc(Cl)c2)CC[N@H+](CCOc2cccc(-c3nn[nH]n3)c2)C1 ZINC000826505964 608379709 /nfs/dbraw/zinc/37/97/09/608379709.db2.gz JKFICPXLXPLTLF-FQEVSTJZSA-N 1 0 399.882 2.578 20 0 GFADRO CC(C)C[C@H]([NH2+]CC(=O)NCc1ccc(-c2nn[nH]n2)cc1)c1ccccc1 ZINC000824236427 608425440 /nfs/dbraw/zinc/42/54/40/608425440.db2.gz NRYRZHPOHWQOIL-IBGZPJMESA-N 1 0 378.480 2.860 20 0 GFADRO CC(C)Oc1ccc([C@H](C)[NH2+]CC(=O)Nc2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000824324404 608438127 /nfs/dbraw/zinc/43/81/27/608438127.db2.gz NTEGJAHGTGAGFA-AWEZNQCLSA-N 1 0 380.452 2.943 20 0 GFADRO C[C@@H]([NH2+]CCOc1cccc(-c2nn[nH]n2)c1)c1ccc(NC(=O)C2CC2)cc1 ZINC000824599070 608457960 /nfs/dbraw/zinc/45/79/60/608457960.db2.gz LQQVUVRUQHDYNY-CQSZACIVSA-N 1 0 392.463 2.945 20 0 GFADRO CCOc1ccccc1[C@H](CC)[NH2+]CC(=O)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000825654119 608458216 /nfs/dbraw/zinc/45/82/16/608458216.db2.gz OUBBKDCCYDOUEL-KRWDZBQOSA-N 1 0 380.452 2.945 20 0 GFADRO COc1ccc(F)cc1[C@H](C)[NH2+]CCOc1ccc(-c2nn[nH]n2)cc1OC ZINC000826176216 608459698 /nfs/dbraw/zinc/45/96/98/608459698.db2.gz GUURHDSBMVOYMF-LBPRGKRZSA-N 1 0 387.415 2.753 20 0 GFADRO O[C@@H](COCc1cccs1)C[N@H+]1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826503734 608461190 /nfs/dbraw/zinc/46/11/90/608461190.db2.gz DVZRSUJWMNWQSS-GOSISDBHSA-N 1 0 397.504 2.595 20 0 GFADRO CCN(Cc1ccccc1)C(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000825435176 608461583 /nfs/dbraw/zinc/46/15/83/608461583.db2.gz OIBVHDJLMKMGNR-JKSUJKDBSA-N 1 0 378.480 2.955 20 0 GFADRO O[C@H](C[N@H+]1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1)c1ccc(F)c(F)c1 ZINC000826502513 608463399 /nfs/dbraw/zinc/46/33/99/608463399.db2.gz FHGWMLNXRVHMNJ-LJQANCHMSA-N 1 0 383.402 2.968 20 0 GFADRO C[C@H]([NH2+]C[C@@H](O)COc1ccc(-c2nn[nH]n2)cc1)c1ccc(F)c(Cl)c1 ZINC000824572749 608471117 /nfs/dbraw/zinc/47/11/17/608471117.db2.gz XKMZKPSMDKEGKA-SMDDNHRTSA-N 1 0 391.834 2.750 20 0 GFADRO C[C@H]([NH2+]CCS(=O)(=O)c1cccc(-c2nn[nH]n2)c1)C(C)(C)c1ccccc1 ZINC000824598761 608477722 /nfs/dbraw/zinc/47/77/22/608477722.db2.gz IJLWXTXXEZDTJI-HNNXBMFYSA-N 1 0 399.520 2.596 20 0 GFADRO C[NH+](C)Cc1ccsc1C(=O)N1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000825870624 608478702 /nfs/dbraw/zinc/47/87/02/608478702.db2.gz VLTLENREWHLHFW-UHFFFAOYSA-N 1 0 394.504 2.919 20 0 GFADRO C[C@@H]([NH2+]CCCS(=O)(=O)c1ccc(F)cc1)c1cccc(-c2nn[nH]n2)c1 ZINC000824591674 608491003 /nfs/dbraw/zinc/49/10/03/608491003.db2.gz JTQWUHGUHPYMMT-CYBMUJFWSA-N 1 0 389.456 2.520 20 0 GFADRO COc1cc([C@@H](C)[NH2+]C2CCN(c3ccc(-c4nn[nH]n4)cn3)CC2)ccc1F ZINC000826177709 608493186 /nfs/dbraw/zinc/49/31/86/608493186.db2.gz RMOCZLWXCUVINC-CYBMUJFWSA-N 1 0 397.458 2.729 20 0 GFADRO COc1ccc(OC)c([C@@H](O)C[NH2+][C@@H]2CCCc3cc(-c4nn[nH]n4)ccc32)c1 ZINC000826210915 608498955 /nfs/dbraw/zinc/49/89/55/608498955.db2.gz JFBBXRLTMJCDNA-MOPGFXCFSA-N 1 0 395.463 2.585 20 0 GFADRO O=C(c1ccco1)N1CCC([NH2+][C@H]2CCCc3cc(-c4nn[nH]n4)ccc32)CC1 ZINC000826475149 608499647 /nfs/dbraw/zinc/49/96/47/608499647.db2.gz UWOXANMOUAOPBO-SFHVURJKSA-N 1 0 392.463 2.732 20 0 GFADRO C[C@@H]([NH2+][C@H]1CCCc2cc(-c3nn[nH]n3)ccc21)c1ccc(S(C)(=O)=O)cc1 ZINC000824548584 608505087 /nfs/dbraw/zinc/50/50/87/608505087.db2.gz XYADHWGMYITKMK-YJYMSZOUSA-N 1 0 397.504 2.998 20 0 GFADRO CCOc1cccc(CN2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)c1 ZINC000825649522 608505952 /nfs/dbraw/zinc/50/59/52/608505952.db2.gz RBVIBMNOXMRKLI-UHFFFAOYSA-N 1 0 392.507 2.973 20 0 GFADRO O=C(C1CCCC1)N1CC[C@H]([NH2+][C@H]2CCCc3cc(-c4nn[nH]n4)ccc32)C1 ZINC000826399335 608518194 /nfs/dbraw/zinc/51/81/94/608518194.db2.gz SYLFFTPPBQYXTE-HKUYNNGSSA-N 1 0 380.496 2.625 20 0 GFADRO O=C1[C@H]([NH2+][C@H]2CCCc3cc(-c4nn[nH]n4)ccc32)CCN1Cc1ccccc1 ZINC000826476856 608520942 /nfs/dbraw/zinc/52/09/42/608520942.db2.gz QNYDZBFQVXMXPH-VQTJNVASSA-N 1 0 388.475 2.635 20 0 GFADRO COc1ccc(Cl)cc1NC(=O)C[NH2+]C1(c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000826208503 608530891 /nfs/dbraw/zinc/53/08/91/608530891.db2.gz NMYHHSOEYYUXSD-UHFFFAOYSA-N 1 0 398.854 2.746 20 0 GFADRO O=C(C[NH2+][C@@H](c1ccccc1)C1CCOCC1)Nc1cccc(-c2nn[nH]n2)c1 ZINC000826412678 608535961 /nfs/dbraw/zinc/53/59/61/608535961.db2.gz YHNSERDBOIKHQE-FQEVSTJZSA-N 1 0 392.463 2.563 20 0 GFADRO COc1cccc(F)c1[C@@H](C)[NH2+]CCOc1ccc(-c2nn[nH]n2)cc1OC ZINC000826176148 608538381 /nfs/dbraw/zinc/53/83/81/608538381.db2.gz DEVYCBXKEPKYQH-GFCCVEGCSA-N 1 0 387.415 2.753 20 0 GFADRO O=C(C[NH2+][C@@H](C[C@H]1CCOC1)c1ccccc1)Nc1cccc(-c2nn[nH]n2)c1 ZINC000826412361 608550987 /nfs/dbraw/zinc/55/09/87/608550987.db2.gz LJCNGEIGWMNOKA-BEFAXECRSA-N 1 0 392.463 2.563 20 0 GFADRO CC(C)(C)OC(=O)C1CCC([NH2+]CCOc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000824092856 608566054 /nfs/dbraw/zinc/56/60/54/608566054.db2.gz AVWRRKPVAVIDOY-UHFFFAOYSA-N 1 0 387.484 2.736 20 0 GFADRO COCC[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)Cc1cccc(-n2cccn2)c1 ZINC000826159122 608567336 /nfs/dbraw/zinc/56/73/36/608567336.db2.gz RMPHQYXPCPRGDI-UHFFFAOYSA-N 1 0 389.463 2.701 20 0 GFADRO CC(C)Oc1ccc(-c2nn[nH]n2)cc1NC(=O)N1CCCC12CC[NH+](C)CC2 ZINC000824319053 608599742 /nfs/dbraw/zinc/59/97/42/608599742.db2.gz DGJSWYPHVQWBAA-UHFFFAOYSA-N 1 0 399.499 2.746 20 0 GFADRO c1nc2ccc(-c3nn[nH]n3)cn2c1C[N@@H+]1CCC[C@H](Oc2ccccc2)C1 ZINC000826522807 608602634 /nfs/dbraw/zinc/60/26/34/608602634.db2.gz PHGSAQUUGJVJHP-SFHVURJKSA-N 1 0 375.436 2.558 20 0 GFADRO c1nn2ccccc2c1C[NH+]1CCC(Oc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000826517692 608603965 /nfs/dbraw/zinc/60/39/65/608603965.db2.gz LXCDLDDBXQLLCK-UHFFFAOYSA-N 1 0 375.436 2.558 20 0 GFADRO C[C@@H]1CN(C(=O)c2ccccc2-c2ccccc2-c2nn[nH]n2)[C@@H](C)C[N@@H+]1C ZINC000824975380 608634293 /nfs/dbraw/zinc/63/42/93/608634293.db2.gz JZRFBCKSAVVONG-CABCVRRESA-N 1 0 376.464 2.698 20 0 GFADRO C[C@@H](c1ccc(-n2cncn2)cc1)[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1F ZINC000824764900 608644166 /nfs/dbraw/zinc/64/41/66/608644166.db2.gz ZQFVFVFUDLMJBD-ZDUSSCGKSA-N 1 0 378.415 2.780 20 0 GFADRO Cc1ccc(CNC(=O)C2CC[NH+](Cc3ccc(-c4nn[nH]n4)s3)CC2)cc1 ZINC000826287747 608655712 /nfs/dbraw/zinc/65/57/12/608655712.db2.gz AWVJJCPGBYCWIV-UHFFFAOYSA-N 1 0 396.520 2.765 20 0 GFADRO Cc1nc(C2CC[NH+](Cc3cnc4ccc(-c5nn[nH]n5)cn34)CC2)sc1C ZINC000826324770 608664154 /nfs/dbraw/zinc/66/41/54/608664154.db2.gz DHMAVUJRSDDDIE-UHFFFAOYSA-N 1 0 394.508 2.967 20 0 GFADRO CCn1nc(C)c(C[NH+]2CCC(Oc3ccc(-c4nn[nH]n4)cc3)CC2)c1C ZINC000825807632 608681212 /nfs/dbraw/zinc/68/12/12/608681212.db2.gz SPXWWGGUBZIFAF-UHFFFAOYSA-N 1 0 381.484 2.743 20 0 GFADRO O[C@H](C[C@@H]1CCC[N@@H+]1Cc1cnc2ccc(-c3nn[nH]n3)cn12)c1cccs1 ZINC000826503409 608832657 /nfs/dbraw/zinc/83/26/57/608832657.db2.gz WZZLJVJBWQNMSH-GOEBONIOSA-N 1 0 395.492 2.664 20 0 GFADRO C[C@@H]([NH2+]Cc1ccc(CN2CCCC2=O)cc1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824612114 609135115 /nfs/dbraw/zinc/13/51/15/609135115.db2.gz JECLBZOCFLCYRE-CQSZACIVSA-N 1 0 394.454 2.979 20 0 GFADRO COc1ccccc1CCC[NH+]1CCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000826219481 609137633 /nfs/dbraw/zinc/13/76/33/609137633.db2.gz DMRLOBCRHCKIIC-UHFFFAOYSA-N 1 0 378.480 2.630 20 0 GFADRO O=C1[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CCN1c1ccc(F)c(Cl)c1 ZINC000826476794 609140543 /nfs/dbraw/zinc/14/05/43/609140543.db2.gz PKLVHZNSEFDDPD-MRXNPFEDSA-N 1 0 386.818 2.554 20 0 GFADRO C[C@H]([NH2+]CCCN(C)C(=O)OC(C)(C)C)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824584975 609141333 /nfs/dbraw/zinc/14/13/33/609141333.db2.gz KOXCFUPDZSVXIW-LBPRGKRZSA-N 1 0 378.452 2.913 20 0 GFADRO C[C@@H]([NH2+][C@H]1CCCN(c2ccccc2)C1=O)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824547400 609142363 /nfs/dbraw/zinc/14/23/63/609142363.db2.gz NXMMDJYDVQFVRA-ACJLOTCBSA-N 1 0 380.427 2.852 20 0 GFADRO C[C@@H]([NH2+][C@H](CO)Cc1c[nH]c2ccccc12)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824531656 609143988 /nfs/dbraw/zinc/14/39/88/609143988.db2.gz PVQQHZZDEJDTNV-DOMZBBRYSA-N 1 0 380.427 2.741 20 0 GFADRO COc1cc(-c2nn[nH]n2)ccc1OCC[N@@H+]1C[C@H](C(F)(F)F)CC[C@@H]1C ZINC000826175475 609149358 /nfs/dbraw/zinc/14/93/58/609149358.db2.gz GQKVFLKMZSCLFU-WCQYABFASA-N 1 0 385.390 2.917 20 0 GFADRO C[C@@H]([NH2+]C[C@@H](NC(=O)OC(C)(C)C)C1CC1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824569168 609154175 /nfs/dbraw/zinc/15/41/75/609154175.db2.gz GHUMGNQWFXVCEJ-BDJLRTHQSA-N 1 0 390.463 2.960 20 0 GFADRO c1cc(NC2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)cc2c1OCO2 ZINC000826514374 609160098 /nfs/dbraw/zinc/16/00/98/609160098.db2.gz PSJUWDJIXWIHBY-UHFFFAOYSA-N 1 0 378.436 2.672 20 0 GFADRO C[C@H]([NH2+][C@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O)c1cc(F)cc(F)c1 ZINC000824547612 609168799 /nfs/dbraw/zinc/16/87/99/609168799.db2.gz QMAPQPGUHDLWBE-SGTLLEGYSA-N 1 0 398.417 2.991 20 0 GFADRO CCc1cccnc1[C@H](C)[NH2+][C@@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000825728645 609169404 /nfs/dbraw/zinc/16/94/04/609169404.db2.gz UNYXMXBOHBRTCV-KBXCAEBGSA-N 1 0 391.479 2.670 20 0 GFADRO C[C@@H]([NH2+]C1(CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)CCCC1)c1ccccc1 ZINC000824539366 609210927 /nfs/dbraw/zinc/21/09/27/609210927.db2.gz NDALBPOTJQVVQK-CQSZACIVSA-N 1 0 379.468 2.588 20 0 GFADRO C[C@@H]([NH2+][C@]1(CO)CCCN(Cc2ccccc2)C1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824539180 609235207 /nfs/dbraw/zinc/23/52/07/609235207.db2.gz MGMNNNDMOAYIGI-VGOFRKELSA-N 1 0 392.507 2.544 20 0 GFADRO C[N@H+](CCC(=O)Nc1ccc(-c2nn[nH]n2)cc1)Cc1cc(F)c(F)c(F)c1 ZINC000825915077 609283282 /nfs/dbraw/zinc/28/32/82/609283282.db2.gz UGSBVNRZUANTOY-UHFFFAOYSA-N 1 0 390.369 2.745 20 0 GFADRO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1ccc(Cl)c(-c2nn[nH]n2)c1 ZINC000826431831 609297404 /nfs/dbraw/zinc/29/74/04/609297404.db2.gz LMJKJPCPIALZLN-UHFFFAOYSA-N 1 0 396.882 2.915 20 0 GFADRO CCc1nnc(N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c(-c2nn[nH]n2)c1CC ZINC000825768075 609315077 /nfs/dbraw/zinc/31/50/77/609315077.db2.gz ZCIQYQKUPVMZHY-UONOGXRCSA-N 1 0 384.532 2.846 20 0 GFADRO CCOC(=O)N[C@@H](C[NH2+][C@H](C)c1ccc(-c2nn[nH]n2)cc1F)CC(C)C ZINC000825523619 609324783 /nfs/dbraw/zinc/32/47/83/609324783.db2.gz RHTRKFRWRCHVEE-TZMCWYRMSA-N 1 0 378.452 2.817 20 0 GFADRO Cn1cc(C[NH2+][C@@H](CCO)c2cccs2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826361409 609340350 /nfs/dbraw/zinc/34/03/50/609340350.db2.gz WKBJRZZFLDWURJ-INIZCTEOSA-N 1 0 395.492 2.542 20 0 GFADRO COc1ccc(-c2nn[nH]n2)cc1NC(=O)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000826185910 609353818 /nfs/dbraw/zinc/35/38/18/609353818.db2.gz XQUASKUQZYCMKH-ZFWWWQNUSA-N 1 0 399.499 2.650 20 0 GFADRO CC(C)(C)C[N@H+](CCCO)Cc1ccc(-c2nn[nH]n2)cc1Br ZINC000824085092 609360661 /nfs/dbraw/zinc/36/06/61/609360661.db2.gz AUFFJOGCHGAXBO-UHFFFAOYSA-N 1 0 382.306 2.860 20 0 GFADRO CCC[N@H+](C)C[C@H]1CCN(Cc2ccc(-c3nn[nH]n3)cc2Br)C1 ZINC000825301891 609363920 /nfs/dbraw/zinc/36/39/20/609363920.db2.gz RXTLARJHXFOGJF-CYBMUJFWSA-N 1 0 393.333 2.793 20 0 GFADRO CC[N@@H+]1C[C@H](C)N(Cc2ccc(-c3nn[nH]n3)cc2Br)C[C@@H]1C ZINC000825452507 609366932 /nfs/dbraw/zinc/36/69/32/609366932.db2.gz PQNARBOYUVTIPP-RYUDHWBXSA-N 1 0 379.306 2.544 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)Cc2ccc(-c3nn[nH]n3)cc2Br)[C@@H](C)C1 ZINC000825452863 609367088 /nfs/dbraw/zinc/36/70/88/609367088.db2.gz RPEGFSXGQMFVCL-LRDDRELGSA-N 1 0 393.333 2.791 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)c2ccccc2Oc2ccccc2-c2nn[nH]n2)CC[N@@H+]1C ZINC000824894633 609385367 /nfs/dbraw/zinc/38/53/67/609385367.db2.gz ZSJSFRKEDDMGGP-HUUCEWRRSA-N 1 0 392.463 2.872 20 0 GFADRO C[C@@H]([NH2+][C@@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O)c1cccc(F)c1 ZINC000824548423 609413033 /nfs/dbraw/zinc/41/30/33/609413033.db2.gz XGBMDHCECQKHHK-FZKQIMNGSA-N 1 0 380.427 2.852 20 0 GFADRO O=C1[C@H]([NH2+][C@H]2CCC[C@H](C3CC3)C2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476541 609417327 /nfs/dbraw/zinc/41/73/27/609417327.db2.gz KBJHMMLPKKECCX-JENIJYKNSA-N 1 0 380.496 2.921 20 0 GFADRO OC[C@@H]([NH2+]CCOc1ccc(-c2nn[nH]n2)cc1)c1ccc(C(F)(F)F)cc1 ZINC000826507131 609428754 /nfs/dbraw/zinc/42/87/54/609428754.db2.gz JCCMKQFQKXDCGO-MRXNPFEDSA-N 1 0 393.369 2.588 20 0 GFADRO Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]Cc1cnc2ccc(-c4nn[nH]n4)cn12)CC3 ZINC000826293392 609444254 /nfs/dbraw/zinc/44/42/54/609444254.db2.gz NSCPDMMAHIIOBM-HNNXBMFYSA-N 1 0 398.474 2.951 20 0 GFADRO C[C@H](NC(=O)c1sccc1-c1nn[nH]n1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000824522709 609456299 /nfs/dbraw/zinc/45/62/99/609456299.db2.gz USHFVBDVQPMRGT-DZGCQCFKSA-N 1 0 382.493 2.569 20 0 GFADRO Cc1cc(-c2nn[nH]n2)ccc1C(=O)N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000826246108 609457257 /nfs/dbraw/zinc/45/72/57/609457257.db2.gz RQMFJSHFXIGLKA-LPHOPBHVSA-N 1 0 390.491 2.816 20 0 GFADRO Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)n1C[N@@H+](C)C[C@H](C)c1nccs1 ZINC000826334755 609503338 /nfs/dbraw/zinc/50/33/38/609503338.db2.gz IIIHBHKCPVPCCA-LBPRGKRZSA-N 1 0 395.496 2.583 20 0 GFADRO Clc1ccccc1CCC[NH+]1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1 ZINC000826353144 609515243 /nfs/dbraw/zinc/51/52/43/609515243.db2.gz CSUMEQGGZGZWNZ-UHFFFAOYSA-N 1 0 383.887 2.670 20 0 GFADRO COc1ccc(C[NH+]2CCC(CNc3nccc(C)c3-c3nn[nH]n3)CC2)cc1 ZINC000826194909 609542120 /nfs/dbraw/zinc/54/21/20/609542120.db2.gz ZRAAQCTWOZMMIN-UHFFFAOYSA-N 1 0 393.495 2.903 20 0 GFADRO c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H](Nc4cccc(-c5nn[nH]n5)n4)[C@H]3C2)cc1 ZINC000826521166 609595214 /nfs/dbraw/zinc/59/52/14/609595214.db2.gz CFCVDJZSEFCKHP-BZSNNMDCSA-N 1 0 375.480 2.974 20 0 GFADRO C[NH+](C)[C@@]1(CNC(=O)Nc2cc3ccc(Br)cn3n2)CCSC1 ZINC000482134945 650660607 /nfs/dbraw/zinc/66/06/07/650660607.db2.gz YLHSBMFBJGUVSF-OAHLLOKOSA-N 1 0 398.330 2.656 20 0 GFADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)Nc3cc4ccc(Br)cn4n3)[C@H]2C1 ZINC000482143989 650661002 /nfs/dbraw/zinc/66/10/02/650661002.db2.gz UFIRJCLQOPRQNG-RISCZKNCSA-N 1 0 378.274 2.655 20 0 GFADRO C[N@H+](CCNc1ncc(I)cn1)Cc1ccc(F)cc1 ZINC000545208226 650965194 /nfs/dbraw/zinc/96/51/94/650965194.db2.gz JLTSPBVNXDDNMA-UHFFFAOYSA-N 1 0 386.212 2.764 20 0 GFADRO CCS(=O)(=O)c1ccc(Cl)c(C(=O)N2C[C@@H]([NH3+])Cc3ccccc32)c1 ZINC000818019874 660213956 /nfs/dbraw/zinc/21/39/56/660213956.db2.gz ZPICQERIAUDUAR-ZDUSSCGKSA-N 1 0 378.881 2.664 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000818019883 660214219 /nfs/dbraw/zinc/21/42/19/660214219.db2.gz KTZPPXARWASVBJ-SFHVURJKSA-N 1 0 389.297 2.911 20 0 GFADRO O=C(Nc1cccc(C2SCCS2)c1)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000818048693 660214671 /nfs/dbraw/zinc/21/46/71/660214671.db2.gz LONJAEWFBRPOPX-AWEZNQCLSA-N 1 0 375.523 2.934 20 0 GFADRO Cc1cc(F)c(C[NH2+]CC2CCN(S(=O)(=O)C(F)(F)F)CC2)c(F)c1 ZINC000818188519 660219001 /nfs/dbraw/zinc/21/90/01/660219001.db2.gz XAKAUEROUWBNFR-UHFFFAOYSA-N 1 0 386.386 2.924 20 0 GFADRO O[C@@H](C[NH2+]Cc1ccc(N2CCOCC2)nc1)c1ccccc1Br ZINC000818944586 660236060 /nfs/dbraw/zinc/23/60/60/660236060.db2.gz MVGMPAACEDGQKE-KRWDZBQOSA-N 1 0 392.297 2.504 20 0 GFADRO CS(=O)(=O)Nc1cccc(C[NH2+]C[C@H](O)c2ccc(Br)cc2)c1 ZINC000818945807 660236264 /nfs/dbraw/zinc/23/62/64/660236264.db2.gz PQJDZBZLCQDFSH-INIZCTEOSA-N 1 0 399.310 2.644 20 0 GFADRO Cc1ncc2c(n1)CC[C@H]([NH2+]C[C@H](O)c1ccc(F)c(Br)c1)C2 ZINC000818949401 660236984 /nfs/dbraw/zinc/23/69/84/660236984.db2.gz LUXGUIMXCBIIQT-GUYCJALGSA-N 1 0 380.261 2.867 20 0 GFADRO O=C1[C@@H]([NH2+]C[C@H](O)c2cccc(Br)c2)CCN1Cc1ccccc1 ZINC000818983654 660241282 /nfs/dbraw/zinc/24/12/82/660241282.db2.gz LZHJEUBUKMIOTL-ROUUACIJSA-N 1 0 389.293 2.873 20 0 GFADRO O=C(Cc1cccc(F)c1)NCC[NH2+]C[C@@H](O)c1ccccc1Br ZINC000818990325 660242154 /nfs/dbraw/zinc/24/21/54/660242154.db2.gz HMQJBOMDMRFHQH-QGZVFWFLSA-N 1 0 395.272 2.570 20 0 GFADRO C[C@@](O)(C[NH2+]CC(=O)N1CCCCC1)c1ccc(Br)cc1Cl ZINC000819013228 660243294 /nfs/dbraw/zinc/24/32/94/660243294.db2.gz VUSIKCXVVMQWNW-MRXNPFEDSA-N 1 0 389.721 2.912 20 0 GFADRO COC1CCN(C(C)(C)C[NH2+]C[C@@H](O)c2ccccc2Br)CC1 ZINC000819039757 660244105 /nfs/dbraw/zinc/24/41/05/660244105.db2.gz SWWXACCETYLZQJ-QGZVFWFLSA-N 1 0 385.346 2.962 20 0 GFADRO O[C@H](C[NH2+][C@H]1CCN(c2ccccc2Br)C1)c1ccc(F)cn1 ZINC000819054941 660244753 /nfs/dbraw/zinc/24/47/53/660244753.db2.gz QFRCVDOWUXWEDA-SUMWQHHRSA-N 1 0 380.261 2.885 20 0 GFADRO CCS(=O)(=O)C[C@H](C)[NH2+]C[C@](C)(O)c1ccc(Br)cc1Cl ZINC000819065188 660245183 /nfs/dbraw/zinc/24/51/83/660245183.db2.gz LZFNESNKWOAKJB-HZMBPMFUSA-N 1 0 398.750 2.723 20 0 GFADRO CCO[C@@H]1C[C@H]([NH2+]C[C@H](O)c2ccc(F)c(Br)c2)[C@@]12CCCO2 ZINC000819229876 660250924 /nfs/dbraw/zinc/25/09/24/660250924.db2.gz OUKJZPNVBFIKQU-NXOAAHMSSA-N 1 0 388.277 2.938 20 0 GFADRO COCCOC[C@@H](C)[NH2+]C[C@@](C)(O)c1ccc(Br)cc1Cl ZINC000819103220 660246576 /nfs/dbraw/zinc/24/65/76/660246576.db2.gz FEZWUKPHLOTNJQ-IAQYHMDHSA-N 1 0 380.710 2.951 20 0 GFADRO C[C@@H]1C[C@H]([NH2+]C[C@H](O)c2ccc(Cl)cc2Cl)C(=O)N1c1cnn(C)c1 ZINC000819123547 660247234 /nfs/dbraw/zinc/24/72/34/660247234.db2.gz XLNPLZGQKPFXPH-VFVAKGGASA-N 1 0 383.279 2.544 20 0 GFADRO C[C@@](O)(C[NH2+]CCOc1ncccc1F)c1ccc(Br)cc1F ZINC000819184509 660249251 /nfs/dbraw/zinc/24/92/51/660249251.db2.gz ZSOIRVLJNIZZFV-MRXNPFEDSA-N 1 0 387.224 2.998 20 0 GFADRO O[C@@H](C[NH2+][C@@H]1CCN(c2ccccn2)C1)c1ccc(F)c(Br)c1 ZINC000819188930 660249567 /nfs/dbraw/zinc/24/95/67/660249567.db2.gz BMHHMXZCSNZNEB-CJNGLKHVSA-N 1 0 380.261 2.885 20 0 GFADRO COCCc1ccc(OC[C@H](O)C[NH2+][C@@H]2CC[C@H]3SCCS[C@@H]23)cc1 ZINC000819198849 660249817 /nfs/dbraw/zinc/24/98/17/660249817.db2.gz UPSCNRKZVYLNMF-OWYHZJEWSA-N 1 0 383.579 2.584 20 0 GFADRO C[C@](O)(C[NH2+][C@@H]1CCO[C@]2(CCOC2)C1)c1ccc(Br)cc1F ZINC000819204150 660250134 /nfs/dbraw/zinc/25/01/34/660250134.db2.gz PSDQTPTXBUQUIG-XOKHGSTOSA-N 1 0 388.277 2.723 20 0 GFADRO CC(C)CS(=O)(=O)N1CCC([NH2+]C[C@@H](O)c2ccc(Cl)c(F)c2)CC1 ZINC000819211505 660250300 /nfs/dbraw/zinc/25/03/00/660250300.db2.gz CGCUFDBXHMMOOH-QGZVFWFLSA-N 1 0 392.924 2.552 20 0 GFADRO CC(C)CS(=O)(=O)N1CCC([NH2+]C[C@@H](O)c2ccc(F)cc2Cl)CC1 ZINC000819212210 660250305 /nfs/dbraw/zinc/25/03/05/660250305.db2.gz JXTBHOGREVNTND-QGZVFWFLSA-N 1 0 392.924 2.552 20 0 GFADRO CCNC(=O)C1(C[NH2+]C[C@@](C)(O)c2ccc(Br)cc2F)CCC1 ZINC000819260695 660252303 /nfs/dbraw/zinc/25/23/03/660252303.db2.gz VSWLJZHVBCZUCQ-MRXNPFEDSA-N 1 0 387.293 2.692 20 0 GFADRO Cn1ccnc1[C@@H]1C[C@@H]([NH2+]C[C@@H](O)c2ccc(Br)cc2)CCO1 ZINC000819359967 660256773 /nfs/dbraw/zinc/25/67/73/660256773.db2.gz GENFXDXGHOGLCA-XHSDSOJGSA-N 1 0 380.286 2.726 20 0 GFADRO COc1cc(I)c(Cl)cc1C[NH2+]C[C@@H](O)C1CC1 ZINC000819279545 660253354 /nfs/dbraw/zinc/25/33/54/660253354.db2.gz OBFRSARDCYTFHI-GFCCVEGCSA-N 1 0 381.641 2.814 20 0 GFADRO O=S(=O)(CC[NH2+]C[C@@H](O)c1ccc(Cl)c(F)c1)CCc1ccccc1 ZINC000819290489 660253731 /nfs/dbraw/zinc/25/37/31/660253731.db2.gz DFRIDDNHSJOKLG-GOSISDBHSA-N 1 0 385.888 2.760 20 0 GFADRO COCC[C@H](COC)[NH2+]C[C@](C)(O)c1ccc(Br)cc1Cl ZINC000819323644 660254917 /nfs/dbraw/zinc/25/49/17/660254917.db2.gz NUWDMZNWCYMQHV-DOMZBBRYSA-N 1 0 380.710 2.951 20 0 GFADRO COc1cc(CC[NH2+]C[C@H](O)c2ccc(S(C)(=O)=O)cc2)ccc1Cl ZINC000819334292 660255300 /nfs/dbraw/zinc/25/53/00/660255300.db2.gz GHCXRUSTDBZYBB-KRWDZBQOSA-N 1 0 383.897 2.618 20 0 GFADRO CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH2+]C[C@@H](O)c1ccccc1Br ZINC000819337750 660255546 /nfs/dbraw/zinc/25/55/46/660255546.db2.gz ZPZDXRXYSLVHIB-CLWVCHIJSA-N 1 0 397.313 2.937 20 0 GFADRO O[C@@H](C[NH2+]Cc1cccc(N2CCOCC2)n1)c1ccccc1Br ZINC000819242782 660251717 /nfs/dbraw/zinc/25/17/17/660251717.db2.gz OOEDBPJJFZRREN-KRWDZBQOSA-N 1 0 392.297 2.504 20 0 GFADRO CCN(CC)C(=O)C[NH+]1CCC(NC(=O)/C=C\c2ccc(Cl)s2)CC1 ZINC000819788489 660270157 /nfs/dbraw/zinc/27/01/57/660270157.db2.gz VODPDPVTFOOAFZ-VURMDHGXSA-N 1 0 383.945 2.864 20 0 GFADRO O=C(Cc1cccnc1Br)N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000820093310 660280755 /nfs/dbraw/zinc/28/07/55/660280755.db2.gz ULUHSFGEJZURBA-VQFNDLOPSA-N 1 0 386.293 2.633 20 0 GFADRO C[N@@H+]1CC[C@@]2(CCN(C(=O)c3cnnn3-c3cccc(Cl)c3Cl)C2)C1 ZINC000820343010 660290085 /nfs/dbraw/zinc/29/00/85/660290085.db2.gz QGAMXGTVPCCFBS-QGZVFWFLSA-N 1 0 380.279 2.742 20 0 GFADRO Nc1cc(C(=O)NC2CC[NH+](C3CCCCC3)CC2)cc(Br)n1 ZINC000820534921 660296520 /nfs/dbraw/zinc/29/65/20/660296520.db2.gz DUDGXLDLBHVEON-UHFFFAOYSA-N 1 0 381.318 2.953 20 0 GFADRO Brc1ncn(CC[N@@H+](Cc2ccccc2)CC2CCOCC2)n1 ZINC000821375217 660323374 /nfs/dbraw/zinc/32/33/74/660323374.db2.gz VJCKRVOPLZIFCH-UHFFFAOYSA-N 1 0 379.302 2.969 20 0 GFADRO Cn1nc(Br)cc1NC(=O)N(CC[NH+](C)C)Cc1cccs1 ZINC000821466126 660326630 /nfs/dbraw/zinc/32/66/30/660326630.db2.gz GKRLQLUVOXNDSU-UHFFFAOYSA-N 1 0 386.319 2.840 20 0 GFADRO C[C@@H](C[NH+]1CCCCC1)NC(=O)[C@]1(C)CC1(Br)Br ZINC000821829988 660334882 /nfs/dbraw/zinc/33/48/82/660334882.db2.gz ASRBEQSRFTXGIT-JQWIXIFHSA-N 1 0 382.140 2.873 20 0 GFADRO Cc1nc(Br)ccc1NC(=O)N[C@@H](C)CN(C)CCC[NH+](C)C ZINC000822337113 660343153 /nfs/dbraw/zinc/34/31/53/660343153.db2.gz NDHAPKUVGXAYMU-LBPRGKRZSA-N 1 0 386.338 2.546 20 0 GFADRO C[C@]1(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1(Br)Br ZINC000822433000 660345433 /nfs/dbraw/zinc/34/54/33/660345433.db2.gz IUXRRIICPSBNFM-JFGNBEQYSA-N 1 0 380.124 2.626 20 0 GFADRO CCC[NH+]1CCN(c2ccc(NC(=O)[C@@H](O)CCSC)cc2Cl)CC1 ZINC000822735247 660353158 /nfs/dbraw/zinc/35/31/58/660353158.db2.gz IAAGYSGRULYSKF-KRWDZBQOSA-N 1 0 385.961 2.925 20 0 GFADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1cc2c(Br)cccc2cn1 ZINC000822879757 660356534 /nfs/dbraw/zinc/35/65/34/660356534.db2.gz WFIZFROGLAPUDQ-KGLIPLIRSA-N 1 0 390.281 2.590 20 0 GFADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1cc2c(Br)cccc2cn1 ZINC000822879759 660356566 /nfs/dbraw/zinc/35/65/66/660356566.db2.gz WFIZFROGLAPUDQ-ZIAGYGMSSA-N 1 0 390.281 2.590 20 0 GFADRO C[C@@H]1[NH2+]CC[C@@H]1c1nc(Cc2nc3ccc(Br)cc3c(=O)[nH]2)no1 ZINC000822918482 660358150 /nfs/dbraw/zinc/35/81/50/660358150.db2.gz BCOISMWZVNEAKC-WPRPVWTQSA-N 1 0 390.241 2.537 20 0 GFADRO COCC1(c2nc(Cc3cc(Br)ccc3F)no2)CC[NH2+]CC1 ZINC000822925769 660358242 /nfs/dbraw/zinc/35/82/42/660358242.db2.gz KCAQFNDMXAUJSS-UHFFFAOYSA-N 1 0 384.249 2.830 20 0 GFADRO Brc1cc(Cc2noc([C@@H]3C[C@]34CC[NH2+]C4)n2)cc2c1OCCO2 ZINC000822946994 660358699 /nfs/dbraw/zinc/35/86/99/660358699.db2.gz MJYCMXOXHRUIGN-GTNSWQLSSA-N 1 0 392.253 2.661 20 0 GFADRO C[NH2+]CCc1nc(CC(=O)Nc2nc(-c3ccccc3Cl)cs2)no1 ZINC000823047673 660360604 /nfs/dbraw/zinc/36/06/04/660360604.db2.gz HYKFKRMNMQGOHJ-UHFFFAOYSA-N 1 0 377.857 2.790 20 0 GFADRO COC[C@]1(c2nc(CCCc3ccccc3Br)no2)CC[NH2+]C1 ZINC000822990286 660359487 /nfs/dbraw/zinc/35/94/87/660359487.db2.gz FGBFXOJQJBRKKJ-KRWDZBQOSA-N 1 0 380.286 2.885 20 0 GFADRO Brc1cccc(C2(c3noc([C@H]4C[NH2+]CCO4)n3)CCOCC2)c1 ZINC000823075357 660361147 /nfs/dbraw/zinc/36/11/47/660361147.db2.gz QLFMTBSDGCNVDK-CQSZACIVSA-N 1 0 394.269 2.590 20 0 GFADRO COCC[C@H](Cc1cccc(Br)c1)c1nc(N2CC[NH2+]CC2)no1 ZINC000823310423 660368050 /nfs/dbraw/zinc/36/80/50/660368050.db2.gz WNGMXWZCDKGELV-CQSZACIVSA-N 1 0 395.301 2.605 20 0 GFADRO Cc1ccc(Br)cc1-c1noc(-c2cn([C@@H]3CCC[NH2+]C3)nn2)n1 ZINC000823190131 660364361 /nfs/dbraw/zinc/36/43/61/660364361.db2.gz ZUFNHZUPDCFTMG-GFCCVEGCSA-N 1 0 389.257 2.991 20 0 GFADRO CN(CC1C[NH+](C)C1)C(=O)Nc1cc(C(F)(F)F)cc(Br)n1 ZINC000823378251 660370367 /nfs/dbraw/zinc/37/03/67/660370367.db2.gz QTEBGEOQCDOMJF-UHFFFAOYSA-N 1 0 381.196 2.888 20 0 GFADRO C[C@@](O)(C(=O)N[C@H]1C[C@@H]([NH+]2CCCC2)C1)c1ccc(F)c(Br)c1 ZINC000823646800 660377329 /nfs/dbraw/zinc/37/73/29/660377329.db2.gz GPKUIDFRUVUOEO-AHIWAGSCSA-N 1 0 385.277 2.539 20 0 GFADRO CC[NH+](CC)Cc1ccccc1CNC(=O)c1cc(Br)n(C)n1 ZINC000823764642 660379827 /nfs/dbraw/zinc/37/98/27/660379827.db2.gz CBEVMJITBYOESD-UHFFFAOYSA-N 1 0 379.302 2.954 20 0 GFADRO C[C@@H](C(=O)N1C[C@@H]2CC[N@H+](C)C[C@@H]2C1)c1ccc(I)cc1 ZINC000823790684 660380236 /nfs/dbraw/zinc/38/02/36/660380236.db2.gz JDKVZHAWRUTDCV-VHDGCEQUSA-N 1 0 398.288 2.805 20 0 GFADRO C[N@@H+]1C[C@@H]2CCCN(C(=O)Nc3ccc([S@@](=O)C(F)(F)F)cc3)[C@@H]2C1 ZINC000824225531 660387423 /nfs/dbraw/zinc/38/74/23/660387423.db2.gz PXPKWNIXQZYFSN-YOAWEGBWSA-N 1 0 375.416 2.872 20 0 GFADRO OCCCN1CCC[C@H]([NH2+]Cc2nc3ccc(Br)cc3s2)C1 ZINC000824582557 660397709 /nfs/dbraw/zinc/39/77/09/660397709.db2.gz AIZXYBODKOYASU-ZDUSSCGKSA-N 1 0 384.343 2.995 20 0 GFADRO C[C@H](C[NH2+]CCS(=O)(=O)C1CCOCC1)c1ccc(C(F)(F)F)cc1 ZINC000824904020 660404687 /nfs/dbraw/zinc/40/46/87/660404687.db2.gz RZIMYVIOICEBJT-CYBMUJFWSA-N 1 0 379.444 2.992 20 0 GFADRO Cn1c(Cl)cnc1C[NH2+]C[C@@H](CO)Cc1cc(Br)ccc1F ZINC000825073607 660409571 /nfs/dbraw/zinc/40/95/71/660409571.db2.gz WXYODJNOJPVMMS-JTQLQIEISA-N 1 0 390.684 2.916 20 0 GFADRO C[NH+](C)CCOc1ccc(NC(=O)c2c(Br)nc3n2CCC3)cc1 ZINC000825326279 660420725 /nfs/dbraw/zinc/42/07/25/660420725.db2.gz LMRUGEZPCPQKFZ-UHFFFAOYSA-N 1 0 393.285 2.785 20 0 GFADRO COC(=O)[C@H](c1ccc(Br)s1)N(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000825381285 660423843 /nfs/dbraw/zinc/42/38/43/660423843.db2.gz MCIQQLKPCBPESE-HZMBPMFUSA-N 1 0 389.315 2.525 20 0 GFADRO Cc1ccc([C@@H](CNC(=O)c2c(Br)nc3n2CCC3)[NH+](C)C)cc1 ZINC000825466484 660428813 /nfs/dbraw/zinc/42/88/13/660428813.db2.gz DWCNUFSNKZNINB-CQSZACIVSA-N 1 0 391.313 2.933 20 0 GFADRO CC[NH+](CC)[C@H](CNC(=O)c1c(Br)nc2n1CCC2)c1ccco1 ZINC000825467493 660428989 /nfs/dbraw/zinc/42/89/89/660428989.db2.gz XPJALIXNVQZWMZ-GFCCVEGCSA-N 1 0 395.301 2.998 20 0 GFADRO Cn1nc(C(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1Br ZINC000825467495 660429091 /nfs/dbraw/zinc/42/90/91/660429091.db2.gz XQGKKXTYFNFFIN-HNNXBMFYSA-N 1 0 391.313 2.825 20 0 GFADRO C[C@@]1(C(=O)N2CC[C@H]([NH+]3CCCC3)C2)CC1(Br)Br ZINC000825555562 660433085 /nfs/dbraw/zinc/43/30/85/660433085.db2.gz IQKRRHYMNBAIOK-JQWIXIFHSA-N 1 0 380.124 2.579 20 0 GFADRO CC(C)[N@@H+]1CCCN(C(=O)[C@@]2(C)CC2(Br)Br)CC1 ZINC000825768273 660441170 /nfs/dbraw/zinc/44/11/70/660441170.db2.gz GFOLTAWVWIRKGL-GFCCVEGCSA-N 1 0 382.140 2.825 20 0 GFADRO CC1CCC([NH+]2CCN(C(=O)c3c(Br)nc4n3CCC4)CC2)CC1 ZINC000825869392 660444282 /nfs/dbraw/zinc/44/42/82/660444282.db2.gz ZRPBZRKVHAEHNV-UHFFFAOYSA-N 1 0 395.345 2.928 20 0 GFADRO Cc1nc(SCC(C)C)sc1CC(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000826674051 660461011 /nfs/dbraw/zinc/46/10/11/660461011.db2.gz PYGMQKZJFLQFCG-UHFFFAOYSA-N 1 0 385.599 2.657 20 0 GFADRO CC(C)[C@@H]1CN(C(=O)c2cc3ccc(Br)cc3c(=O)o2)CC[NH2+]1 ZINC000826763309 660463917 /nfs/dbraw/zinc/46/39/17/660463917.db2.gz PTJYEIGKFNCHQL-AWEZNQCLSA-N 1 0 379.254 2.626 20 0 GFADRO C[C@@]1(C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)CC1(Br)Br ZINC000826769411 660464259 /nfs/dbraw/zinc/46/42/59/660464259.db2.gz LPUWXXODKHFHLJ-AAEUAGOBSA-N 1 0 394.151 2.969 20 0 GFADRO COc1cc2[nH+]ccc(N3CC[C@@H]4COC(=O)N[C@H]4C3)c2cc1Br ZINC000826823202 660467009 /nfs/dbraw/zinc/46/70/09/660467009.db2.gz WZPVVZKBLAROQF-YGRLFVJLSA-N 1 0 392.253 2.941 20 0 GFADRO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)c1cc(Br)n(C)n1 ZINC000826954753 660473020 /nfs/dbraw/zinc/47/30/20/660473020.db2.gz VKTJCGAHPPZVAN-UHFFFAOYSA-N 1 0 399.255 2.919 20 0 GFADRO Cn1nc(C(=O)N2CCC(CCC[NH+]3CCCC3)CC2)cc1Br ZINC000827238520 660485722 /nfs/dbraw/zinc/48/57/22/660485722.db2.gz RVBQHNNKIHUPIO-UHFFFAOYSA-N 1 0 383.334 2.911 20 0 GFADRO Cc1c(I)cccc1C(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000827302302 660488436 /nfs/dbraw/zinc/48/84/36/660488436.db2.gz UXORLCMNUGANLX-SWLSCSKDSA-N 1 0 384.261 2.766 20 0 GFADRO C[N@@H+]1CCCN(CCCNC(=O)c2cc(Cl)nc(C(F)(F)F)c2)CC1 ZINC000827579934 660503149 /nfs/dbraw/zinc/50/31/49/660503149.db2.gz MEDDFFWCCTWMQJ-UHFFFAOYSA-N 1 0 378.826 2.511 20 0 GFADRO Cn1nc(C(=O)NC[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)cc1Br ZINC000828902910 660574480 /nfs/dbraw/zinc/57/44/80/660574480.db2.gz DHXZRYUFXWSUSJ-INIZCTEOSA-N 1 0 391.313 2.823 20 0 GFADRO Cn1c(C(=O)N2[C@@H]3CC[C@H]2CC[N@@H+](C)C3)cc2cc(Br)cnc21 ZINC000829563411 660600835 /nfs/dbraw/zinc/60/08/35/660600835.db2.gz CPEQLMMFPKROLH-UONOGXRCSA-N 1 0 377.286 2.645 20 0 GFADRO CC[NH+](CC)CCCNS(=O)(=O)c1cnc(Cl)c(Br)c1 ZINC000829640654 660604606 /nfs/dbraw/zinc/60/46/06/660604606.db2.gz SECWPCSVCVUNLG-UHFFFAOYSA-N 1 0 384.727 2.508 20 0 GFADRO Cc1ccc(C[NH+](C)C)cc1NC(=O)c1cc(S(C)(=O)=O)ncc1Cl ZINC000829678618 660606902 /nfs/dbraw/zinc/60/69/02/660606902.db2.gz OUHGQHREWKXYFL-UHFFFAOYSA-N 1 0 381.885 2.761 20 0 GFADRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)c2cc(Br)cc3c2OCCO3)C1 ZINC000829705774 660608502 /nfs/dbraw/zinc/60/85/02/660608502.db2.gz TWVBRVGVOMDUGO-STQMWFEESA-N 1 0 383.286 2.823 20 0 GFADRO C[C@H]1C[C@H](CCNS(=O)(=O)c2c[nH]nc2Cl)C[N@@H+]1Cc1ccccc1 ZINC000830935704 660687120 /nfs/dbraw/zinc/68/71/20/660687120.db2.gz UBWBZNGWKYNLPI-ZFWWWQNUSA-N 1 0 382.917 2.642 20 0 GFADRO Cc1cc([C@@H]([NH3+])CC(=O)N2CCN(CC(F)(F)F)[C@@H](C)C2)cc(Cl)n1 ZINC000831480306 660711236 /nfs/dbraw/zinc/71/12/36/660711236.db2.gz CRLHDYGCHXZMPM-AAEUAGOBSA-N 1 0 378.826 2.528 20 0 GFADRO O=C(N1C[C@H]2CC[N@@H+](C[C@H](O)c3ccccc3Cl)C[C@@H]2C1)C(F)(F)F ZINC000831576439 660713296 /nfs/dbraw/zinc/71/32/96/660713296.db2.gz GTQCRJAGJYJVKI-JMSVASOKSA-N 1 0 376.806 2.716 20 0 GFADRO CCOc1ccc(Br)c(C(=O)NC[C@@H](C[NH+](C)C)OCC)c1F ZINC000831776582 660726199 /nfs/dbraw/zinc/72/61/99/660726199.db2.gz KTAQZOQGMIOVOG-NSHDSACASA-N 1 0 391.281 2.683 20 0 GFADRO CCc1ccc([C@H]2CN(C(=O)c3cc(Br)n(C)n3)CCN2)cc1 ZINC000831805417 660728559 /nfs/dbraw/zinc/72/85/59/660728559.db2.gz WXPQRYCCJDVNKZ-OAHLLOKOSA-N 1 0 377.286 2.532 20 0 GFADRO Cc1cc(C[NH2+][C@H](C)[C@@H]2CCS(=O)(=O)C2)ccc1I ZINC000894226639 663449642 /nfs/dbraw/zinc/44/96/42/663449642.db2.gz LTXFDJAADPCZRN-DGCLKSJQSA-N 1 0 393.290 2.512 20 0 GFADRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)c1c(Cl)nc2cc(Cl)ccn21 ZINC000832634233 660791012 /nfs/dbraw/zinc/79/10/12/660791012.db2.gz ICZGAVWQUKUOKQ-LLVKDONJSA-N 1 0 385.295 2.558 20 0 GFADRO C[C@H]1CN(C(=O)c2c(Br)nc3n2CCC3)CC[N@@H+](C2CCC2)C1 ZINC000833425988 660807873 /nfs/dbraw/zinc/80/78/73/660807873.db2.gz JUQOMGBHXUUHDN-GFCCVEGCSA-N 1 0 381.318 2.538 20 0 GFADRO CC[NH+]1CCN(CCC(=O)NCC2(c3ccc(Br)cc3)CC2)CC1 ZINC000834313460 660813868 /nfs/dbraw/zinc/81/38/68/660813868.db2.gz MOVKJRUAXAVIIT-UHFFFAOYSA-N 1 0 394.357 2.625 20 0 GFADRO COC(=O)N1CCC([NH2+]C[C@](C)(O)c2ccc(Br)cc2F)CC1 ZINC000834362721 660816330 /nfs/dbraw/zinc/81/63/30/660816330.db2.gz INNOJGVWYIDLBC-INIZCTEOSA-N 1 0 389.265 2.616 20 0 GFADRO C[NH+](C)C[C@@]1(O)CCCN(C(=O)c2cc3c(ccc(F)c3Br)[nH]2)C1 ZINC000834569504 660825225 /nfs/dbraw/zinc/82/52/25/660825225.db2.gz QMTLJMYQZWVORO-KRWDZBQOSA-N 1 0 398.276 2.598 20 0 GFADRO CC(C)S(=O)(=O)CC[NH2+][C@@H](C)c1ccc(F)c(I)c1 ZINC000834803023 660833491 /nfs/dbraw/zinc/83/34/91/660833491.db2.gz IMBGRKPFQXFNMD-JTQLQIEISA-N 1 0 399.269 2.904 20 0 GFADRO C[C@H]([NH2+]CCS(=O)(=O)C1CCOCC1)c1cccc(OC(F)(F)F)c1 ZINC000834886025 660836929 /nfs/dbraw/zinc/83/69/29/660836929.db2.gz HEGHBIWDJACGOY-LBPRGKRZSA-N 1 0 381.416 2.830 20 0 GFADRO CC[C@@H]([NH2+]CCS(=O)(=O)C1CCOCC1)c1ccc(OC(F)F)cc1 ZINC000834886893 660837127 /nfs/dbraw/zinc/83/71/27/660837127.db2.gz QBKDIBLIUJMMQP-MRXNPFEDSA-N 1 0 377.453 2.923 20 0 GFADRO CCN1CC[NH+](CCCCNC(=O)NCC[C@@]2(C)CC2(Cl)Cl)CC1 ZINC000836238605 660896689 /nfs/dbraw/zinc/89/66/89/660896689.db2.gz AVNCXKYWBJVQTH-INIZCTEOSA-N 1 0 379.376 2.677 20 0 GFADRO C[C@H](C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1)[NH+]1CCCCCC1 ZINC000008119180 654479376 /nfs/dbraw/zinc/47/93/76/654479376.db2.gz LNNDNVYEPSNWGA-CYBMUJFWSA-N 1 0 387.933 2.793 20 0 GFADRO CC[NH+](CC)CCNS(=O)(=O)c1cc(Cl)cc(Br)c1OC ZINC000012141297 654500002 /nfs/dbraw/zinc/50/00/02/654500002.db2.gz LFWGCZMEJQLHJM-UHFFFAOYSA-N 1 0 399.738 2.731 20 0 GFADRO CCOc1c(Br)cc(C[NH2+]CC(=O)N(C)C)cc1Br ZINC000034993390 654610172 /nfs/dbraw/zinc/61/01/72/654610172.db2.gz FUPDNBNCCIIBLD-UHFFFAOYSA-N 1 0 394.107 2.788 20 0 GFADRO CN(C[C@@H](O)c1ccccc1Br)C(=O)c1ccc(C[NH+](C)C)nc1 ZINC000837160919 660975201 /nfs/dbraw/zinc/97/52/01/660975201.db2.gz YAHRBLLBBPYQSQ-QGZVFWFLSA-N 1 0 392.297 2.711 20 0 GFADRO CC[NH+]1CCN(CCCNC(=O)c2ccc(C3SCCS3)cc2)CC1 ZINC000041443635 654626720 /nfs/dbraw/zinc/62/67/20/654626720.db2.gz YOQAUFRMQLIYNP-UHFFFAOYSA-N 1 0 379.595 2.923 20 0 GFADRO CCCNC(=O)C1CC[NH+](C[C@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000042686935 654642428 /nfs/dbraw/zinc/64/24/28/654642428.db2.gz MOFOIYQIGGISFY-AWEZNQCLSA-N 1 0 389.323 2.971 20 0 GFADRO CC(C)[NH+](CCN1C(=O)c2cc(Br)ccc2S1(=O)=O)C(C)C ZINC000044645218 654661340 /nfs/dbraw/zinc/66/13/40/654661340.db2.gz ZILBOXXVKOOUOS-UHFFFAOYSA-N 1 0 389.315 2.712 20 0 GFADRO COc1cc(C[NH2+]C[C@H]2CCS(=O)(=O)C2)ccc1OCc1cccs1 ZINC000044862989 654664289 /nfs/dbraw/zinc/66/42/89/654664289.db2.gz NQJXCHNCAIXXLP-OAHLLOKOSA-N 1 0 381.519 2.860 20 0 GFADRO COc1cc(C(=O)NC2CC[NH+](C3CC3)CC2)cc(OC)c1Br ZINC000045946116 654672718 /nfs/dbraw/zinc/67/27/18/654672718.db2.gz HKLLLXCMDWNYPN-UHFFFAOYSA-N 1 0 383.286 2.823 20 0 GFADRO C[C@H]1CCCC[N@@H+]1CCNC(=O)CCN1C(=S)N=NC1c1cccs1 ZINC000047144945 654690845 /nfs/dbraw/zinc/69/08/45/654690845.db2.gz MYWSKFFZJXDCKJ-ZDUSSCGKSA-N 1 0 379.555 2.676 20 0 GFADRO C[NH+]1CCC(NC(=O)NCCNc2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000047501421 654696075 /nfs/dbraw/zinc/69/60/75/654696075.db2.gz MWXIYXQAXSOBLA-UHFFFAOYSA-N 1 0 379.814 2.559 20 0 GFADRO CN(C)S(=O)(=O)c1ccc(C[NH2+]Cc2c[nH]nc2-c2cccs2)cc1 ZINC000047771264 654700468 /nfs/dbraw/zinc/70/04/68/654700468.db2.gz FTECDMLRTGLFOH-UHFFFAOYSA-N 1 0 376.507 2.678 20 0 GFADRO CC[NH+](CC)[C@H](CNC(=O)NC[C@H](O)C(F)(F)F)c1ccccc1Cl ZINC000048740637 654712355 /nfs/dbraw/zinc/71/23/55/654712355.db2.gz DELHGVTZMSTQRW-KGLIPLIRSA-N 1 0 381.826 2.945 20 0 GFADRO CC(C)[C@H](C[NH+](C)C)NC(=O)c1cn(Cc2ccc(Cl)cc2Cl)nn1 ZINC000837415856 660994949 /nfs/dbraw/zinc/99/49/49/660994949.db2.gz ZUFITMFUUKDDLG-HNNXBMFYSA-N 1 0 384.311 2.949 20 0 GFADRO CC(C)[C@@H](CNS(=O)(=O)c1ccc(C(C)(C)C)s1)N1CC[NH+](C)CC1 ZINC000122335527 654734400 /nfs/dbraw/zinc/73/44/00/654734400.db2.gz HMZYHFRUNRADMI-OAHLLOKOSA-N 1 0 387.615 2.596 20 0 GFADRO C[N@@H+]1CCC[C@@H]2CN(S(=O)(=O)c3cccc(OC(F)(F)F)c3)CC[C@@H]21 ZINC000122449110 654737555 /nfs/dbraw/zinc/73/75/55/654737555.db2.gz DIQVGOGEDNKOKY-DOMZBBRYSA-N 1 0 378.416 2.690 20 0 GFADRO NS(=O)(=O)c1cccc(NC(=O)CC[N@@H+]2CCC[C@@H]2c2ccsc2)c1 ZINC000052803798 654739560 /nfs/dbraw/zinc/73/95/60/654739560.db2.gz IVTGJDFGGFWOQP-MRXNPFEDSA-N 1 0 379.507 2.561 20 0 GFADRO C[C@H]1C[C@H](N(C)CCS(=O)(=O)c2ccc(Br)cc2)CC[N@@H+]1C ZINC000123441413 654756125 /nfs/dbraw/zinc/75/61/25/654756125.db2.gz VQEVMDDOGNOEHY-DZGCQCFKSA-N 1 0 389.359 2.637 20 0 GFADRO O=S(=O)(NC1CC[NH+](CCOc2ccc(F)cc2)CC1)c1cccs1 ZINC000054146350 654757328 /nfs/dbraw/zinc/75/73/28/654757328.db2.gz GEPLAYZCQDBYPS-UHFFFAOYSA-N 1 0 384.498 2.709 20 0 GFADRO O=C(CSc1cccc(Br)c1)NCCC[NH+]1CCC(O)CC1 ZINC000123683534 654760560 /nfs/dbraw/zinc/76/05/60/654760560.db2.gz CHGOGXLEVJBLIM-UHFFFAOYSA-N 1 0 387.343 2.504 20 0 GFADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CCOc2ccccc2Br)C1 ZINC000055037257 654767748 /nfs/dbraw/zinc/76/77/48/654767748.db2.gz JAIFYJANOYAESL-HNNXBMFYSA-N 1 0 399.329 2.691 20 0 GFADRO CC1CC[NH+](CCNC(=O)N(C)C[C@@H](O)c2ccccc2Br)CC1 ZINC000837516243 661003022 /nfs/dbraw/zinc/00/30/22/661003022.db2.gz DAYCPRRLWMDRPZ-QGZVFWFLSA-N 1 0 398.345 2.856 20 0 GFADRO CCC[C@](C)(CO)[NH2+]Cc1cc(I)c(OC)c(OC)c1 ZINC000124072685 654770436 /nfs/dbraw/zinc/77/04/36/654770436.db2.gz GROGNRRSFAFZKN-OAHLLOKOSA-N 1 0 393.265 2.949 20 0 GFADRO Cc1c(C(=O)NCCC[N@@H+](C)C(C)C)nnn1-c1cccc(Br)c1 ZINC000055327168 654773442 /nfs/dbraw/zinc/77/34/42/654773442.db2.gz BQKFQQFKGROWED-UHFFFAOYSA-N 1 0 394.317 2.798 20 0 GFADRO C[C@H]1C[C@@H](N(C)C(=O)c2cc(=O)[nH]c3ccc(Br)cc32)CC[N@@H+]1C ZINC000124549366 654778320 /nfs/dbraw/zinc/77/83/20/654778320.db2.gz PZKDUBSJNJXPEF-AAEUAGOBSA-N 1 0 392.297 2.845 20 0 GFADRO C[C@@H](NS(=O)(=O)c1ccc(F)cc1Br)C(C)(C)C[NH+](C)C ZINC000125375177 654792550 /nfs/dbraw/zinc/79/25/50/654792550.db2.gz QTYQWLBQDXQBSR-SNVBAGLBSA-N 1 0 381.311 2.843 20 0 GFADRO C[NH+](C)CCOc1ccc(NC(=O)CNC(=O)c2ccsc2)cc1Cl ZINC000125573584 654798334 /nfs/dbraw/zinc/79/83/34/654798334.db2.gz HBFIZMRIKGRKDI-UHFFFAOYSA-N 1 0 381.885 2.710 20 0 GFADRO C[N@H+](C[C@H](O)COCc1ccco1)[C@@H](CO)c1cccc(Br)c1 ZINC000125807169 654802685 /nfs/dbraw/zinc/80/26/85/654802685.db2.gz DDUBSQYBLZKVMW-RDJZCZTQSA-N 1 0 384.270 2.585 20 0 GFADRO Cc1c(Br)cc(C(=O)OCC[N@H+](C)Cc2ccccc2)c(=O)n1C ZINC000837671815 661010696 /nfs/dbraw/zinc/01/06/96/661010696.db2.gz ABAKFEJBQONSOA-UHFFFAOYSA-N 1 0 393.281 2.745 20 0 GFADRO C[C@H](CNC(=O)c1cc(F)ccc1I)[N@H+](C)C1CC1 ZINC000057704591 654808541 /nfs/dbraw/zinc/80/85/41/654808541.db2.gz MRTXAZOAMANIKP-SECBINFHSA-N 1 0 376.213 2.643 20 0 GFADRO CC(=O)N[C@@H](CC(=O)NC[C@H](C)[N@H+](C)C1CC1)c1ccc(Br)cc1 ZINC000057716944 654809075 /nfs/dbraw/zinc/80/90/75/654809075.db2.gz RTFHUOROPNGWGL-SJCJKPOMSA-N 1 0 396.329 2.615 20 0 GFADRO COc1cc(C[NH2+]Cc2cc(C)c(Br)s2)ccc1OCC(N)=O ZINC000126227207 654810880 /nfs/dbraw/zinc/81/08/80/654810880.db2.gz VGEPOINOQALPGQ-UHFFFAOYSA-N 1 0 399.310 2.982 20 0 GFADRO C[C@H]1C[NH2+]CCN1C(=O)c1ccc(NC(=O)CSc2cccs2)cc1 ZINC000126264618 654811821 /nfs/dbraw/zinc/81/18/21/654811821.db2.gz QWXIFEDYEADDFD-ZDUSSCGKSA-N 1 0 375.519 2.913 20 0 GFADRO FC(F)Oc1ccc(Br)cc1C[NH2+]CCCN1CCOCC1 ZINC000060806505 654833270 /nfs/dbraw/zinc/83/32/70/654833270.db2.gz QYFJBISMXTUEBY-UHFFFAOYSA-N 1 0 379.245 2.862 20 0 GFADRO C[C@H]([NH3+])CCNS(=O)(=O)c1c(Cl)cc(Br)cc1Cl ZINC000063170882 654849764 /nfs/dbraw/zinc/84/97/64/654849764.db2.gz BGWRCLISUGZEKS-LURJTMIESA-N 1 0 376.103 2.772 20 0 GFADRO C[C@H](CNC(=O)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH+]1CCCC1 ZINC000062110583 654843821 /nfs/dbraw/zinc/84/38/21/654843821.db2.gz JSCAHMMYGMNCII-SNVBAGLBSA-N 1 0 377.794 2.898 20 0 GFADRO COCC[N@H+](C)CCNC(=O)c1cc(Br)cc(C(F)(F)F)c1 ZINC000128429821 654846751 /nfs/dbraw/zinc/84/67/51/654846751.db2.gz JIXUKUQVBVPBMO-UHFFFAOYSA-N 1 0 383.208 2.776 20 0 GFADRO O=C(c1ccc(I)cc1)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000063199055 654850543 /nfs/dbraw/zinc/85/05/43/654850543.db2.gz JNLFAVVGXNJFJQ-OAHLLOKOSA-N 1 0 384.261 2.895 20 0 GFADRO C[N@@H+]1CCC[C@H]2CN(S(=O)(=O)c3sccc3Br)CC[C@@H]21 ZINC000129177903 654859115 /nfs/dbraw/zinc/85/91/15/654859115.db2.gz ZFDRRFBRRWMZLU-JQWIXIFHSA-N 1 0 379.345 2.615 20 0 GFADRO COc1cc(C[NH2+]C[C@@H]2CCC[C@H]2O)cc(I)c1OC ZINC000266194929 654862224 /nfs/dbraw/zinc/86/22/24/654862224.db2.gz ZWACDOSSDXEHTE-WCQYABFASA-N 1 0 391.249 2.559 20 0 GFADRO COCCN1[C@H](C)C[N@@H+](CCC(=O)Nc2cccc(Br)c2)C[C@@H]1C ZINC000129348865 654862458 /nfs/dbraw/zinc/86/24/58/654862458.db2.gz YCDVOIJQIOBGEK-GASCZTMLSA-N 1 0 398.345 2.819 20 0 GFADRO O=C1[C@H]([NH2+]Cc2cnc3ccc(Br)cn23)CCN1Cc1ccccc1 ZINC000266204927 654863061 /nfs/dbraw/zinc/86/30/61/654863061.db2.gz MHKKUVCHYGGLSG-QGZVFWFLSA-N 1 0 399.292 2.988 20 0 GFADRO C[NH2+]C[C@H](C)CNS(=O)(=O)c1c(Cl)cc(Br)cc1Cl ZINC000129499415 654864580 /nfs/dbraw/zinc/86/45/80/654864580.db2.gz JBOMVSPHPMHYCD-ZETCQYMHSA-N 1 0 390.130 2.890 20 0 GFADRO O=C(/C=C/c1cc(Br)cs1)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000266275014 654868109 /nfs/dbraw/zinc/86/81/09/654868109.db2.gz CZYKABZKAPGYQG-ZIYVKSGCSA-N 1 0 385.327 2.705 20 0 GFADRO O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)c1ccc(F)c(Br)c1 ZINC000266293614 654869548 /nfs/dbraw/zinc/86/95/48/654869548.db2.gz JFDGWULWZLSOQN-GFCCVEGCSA-N 1 0 385.277 2.819 20 0 GFADRO CCCNC(=O)[C@H]1CCC[N@H+](C[C@@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000065243591 654879588 /nfs/dbraw/zinc/87/95/88/654879588.db2.gz PERHZZCXCCEERP-DZGCQCFKSA-N 1 0 389.323 2.971 20 0 GFADRO C[C@@H]1C[C@H](N(C)S(=O)(=O)c2ccc(F)c(Br)c2)CC[N@@H+]1C ZINC000266454509 654880055 /nfs/dbraw/zinc/88/00/55/654880055.db2.gz OUPXPUVLIKUBGD-GHMZBOCLSA-N 1 0 379.295 2.691 20 0 GFADRO Cc1cc(NC(=O)C(=O)NC[C@H](C)[NH+]2CCC(C)CC2)ccc1Br ZINC000065601974 654881882 /nfs/dbraw/zinc/88/18/82/654881882.db2.gz CHPGTDSEHJSSQM-AWEZNQCLSA-N 1 0 396.329 2.933 20 0 GFADRO O=C1C[C@H]([N@@H+]2CCC3(C2)CCOCC3)C(=O)N1c1ccc(Br)cc1 ZINC000266506469 654882593 /nfs/dbraw/zinc/88/25/93/654882593.db2.gz AOCZCATYKLMNKA-HNNXBMFYSA-N 1 0 393.281 2.584 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CNC(=S)NCCOc1ccc(Br)cc1 ZINC000065704221 654885371 /nfs/dbraw/zinc/88/53/71/654885371.db2.gz OMRUURLVRZRQDQ-AWEZNQCLSA-N 1 0 386.359 2.776 20 0 GFADRO C[C@@H](NC(=O)C[C@H]1CC[NH2+]C1)c1nc(-c2ccc(Br)cc2)no1 ZINC000130254031 654886021 /nfs/dbraw/zinc/88/60/21/654886021.db2.gz PDSGVQIUEUFMQB-GHMZBOCLSA-N 1 0 379.258 2.676 20 0 GFADRO Cc1cc(Br)c(S(=O)(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)s1 ZINC000266690589 654890029 /nfs/dbraw/zinc/89/00/29/654890029.db2.gz BYZJKRCYFWSWNF-MNOVXSKESA-N 1 0 379.345 2.676 20 0 GFADRO C[NH+]1CCC(O)(CNC(=O)Cc2csc(-c3ccccc3Cl)n2)CC1 ZINC000266803431 654894645 /nfs/dbraw/zinc/89/46/45/654894645.db2.gz ZWCBHIDORFDEPI-UHFFFAOYSA-N 1 0 379.913 2.579 20 0 GFADRO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(Cc2ccc(F)c(Br)c2)CC1 ZINC000131310593 654901044 /nfs/dbraw/zinc/90/10/44/654901044.db2.gz NKTIZPSHERINPV-INIZCTEOSA-N 1 0 384.293 2.502 20 0 GFADRO CCCC[NH+]1CCC(NS(=O)(=O)c2ccc(NC(C)=O)c(Cl)c2)CC1 ZINC000267041232 654906379 /nfs/dbraw/zinc/90/63/79/654906379.db2.gz BTWKZKOHXUGFQN-UHFFFAOYSA-N 1 0 387.933 2.841 20 0 GFADRO CCc1ccc(C[NH2+]Cc2ccc(S(=O)(=O)N3CCOCC3)cc2)s1 ZINC000066587051 654907964 /nfs/dbraw/zinc/90/79/64/654907964.db2.gz CWPQUUIYGAPHSN-UHFFFAOYSA-N 1 0 380.535 2.621 20 0 GFADRO C[C@H](C(=O)NCc1nc2cc(Br)cnc2[nH]1)[NH+]1CCCCCC1 ZINC000267079552 654909417 /nfs/dbraw/zinc/90/94/17/654909417.db2.gz JYNZIHAXVWXUIE-LLVKDONJSA-N 1 0 380.290 2.601 20 0 GFADRO CN(C[C@@H](O)c1ccccc1Br)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000838318423 661040332 /nfs/dbraw/zinc/04/03/32/661040332.db2.gz RRVWMGOGCLSGNX-QGZVFWFLSA-N 1 0 398.345 2.998 20 0 GFADRO CCOc1cc(C[NH2+]C[C@H]2CCCS2(=O)=O)cc(Br)c1OC ZINC000131762456 654917189 /nfs/dbraw/zinc/91/71/89/654917189.db2.gz UIVWMZCAMFXQMG-GFCCVEGCSA-N 1 0 392.315 2.523 20 0 GFADRO C[C@@H](SCC(=O)NC[C@@]1([NH+](C)C)CCSC1)c1nc2ccccc2[nH]1 ZINC000267222832 654918432 /nfs/dbraw/zinc/91/84/32/654918432.db2.gz IJWMBHMXTNDKQA-ACJLOTCBSA-N 1 0 378.567 2.911 20 0 GFADRO C[N@H+](CCCN1C(=O)CNC1=O)[C@H]1CCSc2ccc(Br)cc21 ZINC000067117379 654930045 /nfs/dbraw/zinc/93/00/45/654930045.db2.gz UVGKEJCYBVUCBT-ZDUSSCGKSA-N 1 0 398.326 2.860 20 0 GFADRO C[NH+](C)C[C@@H]1CCCN1C(=O)c1ccn(-c2cccc(Br)c2)n1 ZINC000267517330 654932831 /nfs/dbraw/zinc/93/28/31/654932831.db2.gz KTMROJPAOPEFKS-HNNXBMFYSA-N 1 0 377.286 2.801 20 0 GFADRO C[NH+](C)CCN(Cc1cccs1)C(=O)C1CCN(CC(F)(F)F)CC1 ZINC000267678645 654941602 /nfs/dbraw/zinc/94/16/02/654941602.db2.gz BMTCDXXPIWBUSX-UHFFFAOYSA-N 1 0 377.476 2.913 20 0 GFADRO Cc1ccc(NC(=O)C(=O)NC[C@H]2CC[N@@H+](C(C)C)C2)cc1Br ZINC000067782073 654945517 /nfs/dbraw/zinc/94/55/17/654945517.db2.gz SQHWEWZXKRYSMF-CYBMUJFWSA-N 1 0 382.302 2.543 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)C(=O)NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000067782113 654945544 /nfs/dbraw/zinc/94/55/44/654945544.db2.gz UFHPBFQEKWHXIR-ZDUSSCGKSA-N 1 0 382.302 2.543 20 0 GFADRO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)CCn1c(C)csc1=O ZINC000267766938 654945643 /nfs/dbraw/zinc/94/56/43/654945643.db2.gz URLBYTPXCHCCGM-UHFFFAOYSA-N 1 0 381.464 2.731 20 0 GFADRO O=C(NCCCC[NH+]1CCN(Cc2ccccc2)CC1)[C@@H]1CC1(Cl)Cl ZINC000132689765 654945913 /nfs/dbraw/zinc/94/59/13/654945913.db2.gz LIPGSEPXDKLLBE-KRWDZBQOSA-N 1 0 384.351 2.894 20 0 GFADRO C[C@@H]1C[NH+](CCCNC(=O)c2cccnc2SC(F)(F)F)C[C@@H](C)O1 ZINC000067839975 654946132 /nfs/dbraw/zinc/94/61/32/654946132.db2.gz JWMRDAMKWFFBTR-VXGBXAGGSA-N 1 0 377.432 2.923 20 0 GFADRO C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@H]1CCC(=O)NC1 ZINC000067873103 654947048 /nfs/dbraw/zinc/94/70/48/654947048.db2.gz OIOQKKNRJMUQRP-AWEZNQCLSA-N 1 0 386.323 2.800 20 0 GFADRO Cc1nn(C)c(Br)c1C(=O)Nc1ccc(OCC[NH+](C)C)c(F)c1 ZINC000838287996 661035509 /nfs/dbraw/zinc/03/55/09/661035509.db2.gz LOISECPDBMVVSY-UHFFFAOYSA-N 1 0 399.264 2.823 20 0 GFADRO C[C@@H]1CN(S(=O)(=O)c2cc(Br)sc2Cl)CC[C@H]1C[NH3+] ZINC000923701390 664636301 /nfs/dbraw/zinc/63/63/01/664636301.db2.gz HJVXTPJIYMJNSP-SFYZADRCSA-N 1 0 387.752 2.769 20 0 GFADRO O[C@@H](CN1CC[NH+](CCCOCC(F)(F)F)CC1)c1ccc(Cl)cc1 ZINC000068301394 654959550 /nfs/dbraw/zinc/95/95/50/654959550.db2.gz XWVMAEHEGXRJIL-INIZCTEOSA-N 1 0 380.838 2.960 20 0 GFADRO O=C(NC1CC[NH+](Cc2ccccn2)CC1)c1ccnc(Br)c1 ZINC000268161905 654961327 /nfs/dbraw/zinc/96/13/27/654961327.db2.gz PWEKDODRTCSANS-UHFFFAOYSA-N 1 0 375.270 2.634 20 0 GFADRO CSc1ccc(Cl)c(C(=O)N2CCC(C(=O)NCC[NH+](C)C)CC2)c1 ZINC000068498866 654964441 /nfs/dbraw/zinc/96/44/41/654964441.db2.gz RYCGFTCUZCBESW-UHFFFAOYSA-N 1 0 383.945 2.592 20 0 GFADRO COCC[C@@H](Cc1cccc(Br)c1)C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000133535303 654966363 /nfs/dbraw/zinc/96/63/63/654966363.db2.gz YQZKNGYFUBYFTB-DOTOQJQBSA-N 1 0 383.330 2.855 20 0 GFADRO CC(C)[NH+]1CCC(N(C)Cc2nnnn2-c2ccccc2Br)CC1 ZINC000068970429 654970527 /nfs/dbraw/zinc/97/05/27/654970527.db2.gz QPSXDVUEUUUTJC-UHFFFAOYSA-N 1 0 393.333 2.729 20 0 GFADRO CCO[C@H]1C[C@@]([NH3+])(C(=O)Nc2ccc(I)cc2)C1(C)C ZINC000133888760 654976461 /nfs/dbraw/zinc/97/64/61/654976461.db2.gz JYAOHSRLJNWMKU-SWLSCSKDSA-N 1 0 388.249 2.762 20 0 GFADRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1cc(I)ccc1F ZINC000268531042 654976619 /nfs/dbraw/zinc/97/66/19/654976619.db2.gz PZXUHAIHGWAGDQ-QMTHXVAHSA-N 1 0 390.240 2.843 20 0 GFADRO Cn1ccnc1[C@@](O)(C[NH2+]Cc1ccc(Br)c(F)c1)C(F)(F)F ZINC000268616165 654979941 /nfs/dbraw/zinc/97/99/41/654979941.db2.gz AFOFSFQKKMBSOB-ZDUSSCGKSA-N 1 0 396.182 2.861 20 0 GFADRO C[C@@H]1CCCC[C@]1(C[NH3+])NS(=O)(=O)c1ccc(F)cc1Br ZINC000134037389 654981299 /nfs/dbraw/zinc/98/12/99/654981299.db2.gz UIHWXIWETIWAQN-QMTHXVAHSA-N 1 0 379.295 2.774 20 0 GFADRO CC[C@@](C)(CC(=O)OC)[NH2+]CC(=O)N[C@H](C)c1ccc(Br)cc1 ZINC000134089560 654982677 /nfs/dbraw/zinc/98/26/77/654982677.db2.gz YCFFCCXVPATBIY-PXAZEXFGSA-N 1 0 385.302 2.948 20 0 GFADRO O=C(CN1CCC[C@@H](C[NH+]2CCOCC2)C1)Nc1cccc(Cl)c1Cl ZINC000069857759 654987367 /nfs/dbraw/zinc/98/73/67/654987367.db2.gz SCOMXVKDVKIKSF-AWEZNQCLSA-N 1 0 386.323 2.976 20 0 GFADRO Cc1ccsc1C[NH2+][C@H](C)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000268822611 654988099 /nfs/dbraw/zinc/98/80/99/654988099.db2.gz SJPDESHZPNNAIO-OAHLLOKOSA-N 1 0 380.535 2.928 20 0 GFADRO C[C@@H](Cn1cc(Br)cn1)[NH2+][C@@H](C)c1ccc2c(c1)CC(=O)N2C ZINC000268825690 654988141 /nfs/dbraw/zinc/98/81/41/654988141.db2.gz BCHIVNAOVDRRBN-RYUDHWBXSA-N 1 0 377.286 2.904 20 0 GFADRO COCC[N@@H+]1CCCN(C(=O)CCCc2ccccc2Br)CC1 ZINC000268829356 654988399 /nfs/dbraw/zinc/98/83/99/654988399.db2.gz DVFHUBKPFADZPK-UHFFFAOYSA-N 1 0 383.330 2.953 20 0 GFADRO COCCC[C@H](NC[C@@H](O)C[NH+]1CCCC1)c1ccc(Br)cc1 ZINC000268881027 654990137 /nfs/dbraw/zinc/99/01/37/654990137.db2.gz XSTSUGZDHZATGR-MSOLQXFVSA-N 1 0 385.346 2.963 20 0 GFADRO NC(=O)[C@@H]1CCCN1CCC[NH2+][C@@H]1CCSc2ccc(Br)cc21 ZINC000268954043 654992686 /nfs/dbraw/zinc/99/26/86/654992686.db2.gz VTOBGBJHEJHPJA-CABCVRRESA-N 1 0 398.370 2.915 20 0 GFADRO CN(C)[C@@]1(C[NH2+]C2CCN(C(=O)c3ccccc3Cl)CC2)CCSC1 ZINC000268997678 654994359 /nfs/dbraw/zinc/99/43/59/654994359.db2.gz TZELIRLIXOXFLQ-LJQANCHMSA-N 1 0 381.973 2.972 20 0 GFADRO C[NH+](C)[C@@]1(CNC(=O)C(=O)Nc2cc(C(F)F)ccc2Cl)CCSC1 ZINC000269092347 654997449 /nfs/dbraw/zinc/99/74/49/654997449.db2.gz LAXYMVVMIRHMJV-MRXNPFEDSA-N 1 0 391.871 2.770 20 0 GFADRO NC(=O)COc1ccc(C[NH2+]CC(=O)Nc2cc(Cl)ccc2Cl)cc1 ZINC000071010348 654998144 /nfs/dbraw/zinc/99/81/44/654998144.db2.gz YFOGZIYEWDKXOO-UHFFFAOYSA-N 1 0 382.247 2.586 20 0 GFADRO C[C@@H](NC(=O)COc1ccc(Br)cc1Cl)[C@H]1CCC[NH2+]C1 ZINC000269204990 655001575 /nfs/dbraw/zinc/00/15/75/655001575.db2.gz NMQNQMUZTWNDAF-MNOVXSKESA-N 1 0 375.694 2.986 20 0 GFADRO C[C@@H]1CN(C(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)CC[C@@H]1[NH3+] ZINC000269244079 655002956 /nfs/dbraw/zinc/00/29/56/655002956.db2.gz ZCAHGLGAMJYVEO-RLCCDNCMSA-N 1 0 384.307 2.794 20 0 GFADRO Cc1nn(C)c(Cl)c1S(=O)(=O)N(CC[NH+](C)C)CC1CCCCC1 ZINC000078048772 655004435 /nfs/dbraw/zinc/00/44/35/655004435.db2.gz VIUAUFJLBSIHDM-UHFFFAOYSA-N 1 0 376.954 2.515 20 0 GFADRO C[S@@](=O)Cc1cc(NC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)ccc1Cl ZINC000269296154 655004543 /nfs/dbraw/zinc/00/45/43/655004543.db2.gz RRMWWYITDARVGH-SSOJOUAXSA-N 1 0 384.929 2.800 20 0 GFADRO CC(C)OCCOC[C@@H](O)C[N@H+](C)Cc1ccc(Br)cc1F ZINC000078874075 655005592 /nfs/dbraw/zinc/00/55/92/655005592.db2.gz BIVZNUKHIUYSBK-HNNXBMFYSA-N 1 0 378.282 2.823 20 0 GFADRO CC[NH+]1CCN(CC(C)(C)NC(=O)NCC[C@@]2(C)CC2(Cl)Cl)CC1 ZINC000838683093 661054047 /nfs/dbraw/zinc/05/40/47/661054047.db2.gz OFAKHODSXBEVEN-INIZCTEOSA-N 1 0 379.376 2.676 20 0 GFADRO O=C(Nc1ccc(Br)cn1)C1CC[NH+](CC2=CCCOC2)CC1 ZINC000091843755 655010429 /nfs/dbraw/zinc/01/04/29/655010429.db2.gz FCYAEQYKQIMDAQ-UHFFFAOYSA-N 1 0 380.286 2.841 20 0 GFADRO C[NH+](C)[C@H]1CCN(c2ccc(NC(=O)c3occc3Br)nc2)C1 ZINC000269470715 655010491 /nfs/dbraw/zinc/01/04/91/655010491.db2.gz YSDRPQPLNTXYMY-LBPRGKRZSA-N 1 0 379.258 2.830 20 0 GFADRO CCC[N@H+](C)C[C@H]1CCN(S(=O)(=O)c2ccc3nc(Cl)cnc3c2)C1 ZINC000269495032 655011288 /nfs/dbraw/zinc/01/12/88/655011288.db2.gz JZQKEVGLAQKEAX-CYBMUJFWSA-N 1 0 382.917 2.636 20 0 GFADRO O=S(=O)(c1cnc2ccsc2c1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000269528141 655012562 /nfs/dbraw/zinc/01/25/62/655012562.db2.gz VAJYGPFUACAOOF-SUMWQHHRSA-N 1 0 377.535 2.934 20 0 GFADRO O=S(=O)(c1cnc2ccsc2c1)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000269528138 655012630 /nfs/dbraw/zinc/01/26/30/655012630.db2.gz VAJYGPFUACAOOF-CXAGYDPISA-N 1 0 377.535 2.934 20 0 GFADRO CC[NH+]1CCN([C@@H]2CCN(Cc3cc(Br)c(OC)s3)C2)CC1 ZINC000093132806 655017573 /nfs/dbraw/zinc/01/75/73/655017573.db2.gz VNXIONJAFDZPTQ-CYBMUJFWSA-N 1 0 388.375 2.731 20 0 GFADRO Cc1cc(F)ccc1C[NH+]1CCC(N(CC(F)(F)F)S(C)(=O)=O)CC1 ZINC000093393416 655019382 /nfs/dbraw/zinc/01/93/82/655019382.db2.gz CLSKTBQRGNFKJL-UHFFFAOYSA-N 1 0 382.423 2.922 20 0 GFADRO O=C(Cc1ccc(Br)c(F)c1)NCC1([NH+]2CCCC2)CCOCC1 ZINC000269761070 655020696 /nfs/dbraw/zinc/02/06/96/655020696.db2.gz XODYZEUAVGRCMZ-UHFFFAOYSA-N 1 0 399.304 2.892 20 0 GFADRO CC(C)C[N@@H+]1CCC[C@H](CNS(=O)(=O)c2c[nH]c3nccc(Cl)c23)C1 ZINC000093926782 655024717 /nfs/dbraw/zinc/02/47/17/655024717.db2.gz FCQAOTMUGICXMO-CYBMUJFWSA-N 1 0 384.933 2.863 20 0 GFADRO CSCC[C@@H](CO)NC(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000136808366 655035542 /nfs/dbraw/zinc/03/55/42/655035542.db2.gz XBNNUVOIIIXAKQ-IRXDYDNUSA-N 1 0 385.961 2.890 20 0 GFADRO CS(=O)(=O)N1CCC([NH2+]Cc2cc(Cl)ccc2Br)CC1 ZINC000097498405 655035572 /nfs/dbraw/zinc/03/55/72/655035572.db2.gz GPJSJAVPBQDAGP-UHFFFAOYSA-N 1 0 381.723 2.616 20 0 GFADRO C[C@@H]1Cc2cc(S(=O)(=O)N[C@H]3CC[N@@H+](C4CCCC4)C3)cc(Cl)c2O1 ZINC000097590947 655036558 /nfs/dbraw/zinc/03/65/58/655036558.db2.gz BDQNPFDQORFREB-OCCSQVGLSA-N 1 0 384.929 2.959 20 0 GFADRO Cc1ccc(Br)cc1S(=O)(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000097935688 655038277 /nfs/dbraw/zinc/03/82/77/655038277.db2.gz IMHLYAAWKYKJOW-UHFFFAOYSA-N 1 0 375.332 2.862 20 0 GFADRO CC(C)[N@@H+]1CCCN(C(=O)c2ccc(Br)cc2-n2cncn2)CC1 ZINC000270337715 655041420 /nfs/dbraw/zinc/04/14/20/655041420.db2.gz ZSOXDOREIGEFFQ-UHFFFAOYSA-N 1 0 392.301 2.586 20 0 GFADRO CCC[N@@H+]1CCC[C@@H]1C(=O)NCCCNC(=O)c1cccc(Br)c1 ZINC000101519829 655042113 /nfs/dbraw/zinc/04/21/13/655042113.db2.gz KAKGRSFPTISTIL-MRXNPFEDSA-N 1 0 396.329 2.560 20 0 GFADRO O=C(NCC1([NH+]2CCCC2)CCOCC1)Nc1cncc(Br)c1 ZINC000270378861 655042509 /nfs/dbraw/zinc/04/25/09/655042509.db2.gz VMKVRMVKTWYKHB-UHFFFAOYSA-N 1 0 383.290 2.611 20 0 GFADRO C[N@H+](CCCO)C1CCN(C(=O)c2c(F)cc(Br)cc2F)CC1 ZINC000270409778 655043713 /nfs/dbraw/zinc/04/37/13/655043713.db2.gz XXXHLWBBUMXHKQ-UHFFFAOYSA-N 1 0 391.256 2.646 20 0 GFADRO CC[N@H+](CCNC(=O)C[C@@H](NC(C)=O)c1ccc(Br)cc1)C1CC1 ZINC000101962064 655048987 /nfs/dbraw/zinc/04/89/87/655048987.db2.gz ALNLXJQBVZTISZ-QGZVFWFLSA-N 1 0 396.329 2.617 20 0 GFADRO CCCS(=O)(=O)N1CCC([NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000152065328 655056492 /nfs/dbraw/zinc/05/64/92/655056492.db2.gz IIIIQFASRGJNIM-UHFFFAOYSA-N 1 0 375.878 2.542 20 0 GFADRO C[C@H]1CCCC[N@@H+]1CCNC(=O)CSc1nnc(-c2cccs2)n1C ZINC000102635836 655056789 /nfs/dbraw/zinc/05/67/89/655056789.db2.gz WQAJVWCYDQUOSN-ZDUSSCGKSA-N 1 0 379.555 2.626 20 0 GFADRO CN1C(=O)NC2(CC[NH+](CC/C=C/c3ccc(Br)cc3)CC2)C1=O ZINC000270951502 655061294 /nfs/dbraw/zinc/06/12/94/655061294.db2.gz SUTRQKASJQKCQE-DUXPYHPUSA-N 1 0 392.297 2.869 20 0 GFADRO O=S(=O)(Cc1ccc(OC(F)(F)F)cc1)NC1CC[NH+](C2CC2)CC1 ZINC000102823354 655061883 /nfs/dbraw/zinc/06/18/83/655061883.db2.gz BYIPIUWDZCCHNC-UHFFFAOYSA-N 1 0 378.416 2.631 20 0 GFADRO CN(CC[NH+]1CCCC1)C(=O)c1ccc(F)cc1I ZINC000103117506 655067218 /nfs/dbraw/zinc/06/72/18/655067218.db2.gz ZWZREYRNXPYXDC-UHFFFAOYSA-N 1 0 376.213 2.598 20 0 GFADRO C[NH2+]CCC1CCN(C(=O)[C@H](C)N2C(=S)N=NC2c2cccs2)CC1 ZINC000271242166 655072444 /nfs/dbraw/zinc/07/24/44/655072444.db2.gz ZBOAQTJSIIMTLF-LBPRGKRZSA-N 1 0 379.555 2.704 20 0 GFADRO COc1ccc(Br)cc1S(=O)(=O)NCC[N@H+](C)C1CCCC1 ZINC000103716552 655075370 /nfs/dbraw/zinc/07/53/70/655075370.db2.gz URRPPPSZVFUEOM-UHFFFAOYSA-N 1 0 391.331 2.610 20 0 GFADRO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(CCOc2c(Cl)cccc2Cl)CC1 ZINC000104069347 655078194 /nfs/dbraw/zinc/07/81/94/655078194.db2.gz ZHXSKWCQOJIBAC-MRXNPFEDSA-N 1 0 386.323 2.786 20 0 GFADRO COC(=O)CC[N@H+](C[C@@H](O)c1ccccc1Br)C1CCOCC1 ZINC000154734887 655078110 /nfs/dbraw/zinc/07/81/10/655078110.db2.gz WEFBTDJXWAUKDT-MRXNPFEDSA-N 1 0 386.286 2.527 20 0 GFADRO C[NH+](C)CCOc1ccc(CNC(=O)c2cccc(Br)n2)cc1 ZINC000154974862 655079797 /nfs/dbraw/zinc/07/97/97/655079797.db2.gz NOOKZYZKSYSQSJ-UHFFFAOYSA-N 1 0 378.270 2.715 20 0 GFADRO C[C@H]([NH2+]C[C@H](O)C1CCOCC1)c1ccccc1I ZINC000271425909 655081013 /nfs/dbraw/zinc/08/10/13/655081013.db2.gz BFTFOGLCGHCTTQ-NHYWBVRUSA-N 1 0 375.250 2.729 20 0 GFADRO CNS(=O)(=O)c1cccc([C@H](C)[NH2+]C[C@@H](O)c2c(F)cccc2Cl)c1 ZINC000271453640 655082036 /nfs/dbraw/zinc/08/20/36/655082036.db2.gz GFIXNYTZBPPPSA-MEDUHNTESA-N 1 0 386.876 2.771 20 0 GFADRO [NH3+]CCCCCCC(=O)NCc1nnc(-c2ccc(Br)cc2)[nH]1 ZINC000155263943 655083183 /nfs/dbraw/zinc/08/31/83/655083183.db2.gz GFCFYZSNTAWCEK-UHFFFAOYSA-N 1 0 380.290 2.760 20 0 GFADRO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]C[C@@H](O)C1CCOCC1 ZINC000271527375 655084143 /nfs/dbraw/zinc/08/41/43/655084143.db2.gz RHBXRIDMCBOCKE-MLGOLLRUSA-N 1 0 385.302 2.543 20 0 GFADRO Cc1ncc([C@H](C)[NH2+]C[C@H](O)COc2ccccc2Br)c(C)n1 ZINC000271564328 655085724 /nfs/dbraw/zinc/08/57/24/655085724.db2.gz XMMAYLATEVWTDO-FZMZJTMJSA-N 1 0 380.286 2.946 20 0 GFADRO CC[N@@H+]1CCC[C@@H](CNC(=O)NCCOc2ccc(Br)cc2)C1 ZINC000105201486 655089555 /nfs/dbraw/zinc/08/95/55/655089555.db2.gz SQXKSPBIMDPPJO-AWEZNQCLSA-N 1 0 384.318 2.859 20 0 GFADRO COc1c(Br)cc(Cl)cc1S(=O)(=O)N1CC[C@H]([NH3+])C[C@@H]1C ZINC000156161723 655089864 /nfs/dbraw/zinc/08/98/64/655089864.db2.gz LLPPYAGFQYZTHE-WPRPVWTQSA-N 1 0 397.722 2.611 20 0 GFADRO C[C@@H](CNC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1)[N@H+](C)C1CC1 ZINC000105267074 655090056 /nfs/dbraw/zinc/09/00/56/655090056.db2.gz YAYVOBMSSUJOOS-LBPRGKRZSA-N 1 0 386.327 2.703 20 0 GFADRO NC(=O)[C@@H]([NH2+]CCc1ccc2c(c1)OCCO2)c1ccc(Br)cc1 ZINC000105400159 655092350 /nfs/dbraw/zinc/09/23/50/655092350.db2.gz GHNHHUVCMXMXHD-KRWDZBQOSA-N 1 0 391.265 2.579 20 0 GFADRO CC(C)[N@H+](C)CCCNC(=O)C(=O)Nc1cc(F)c(Br)c(F)c1 ZINC000271765823 655094239 /nfs/dbraw/zinc/09/42/39/655094239.db2.gz NDMUYRNPRLRWRQ-UHFFFAOYSA-N 1 0 392.244 2.512 20 0 GFADRO C[C@H]([NH2+]CC(=O)Nc1ccc(Br)cn1)c1ccc([S@@](C)=O)cc1 ZINC000271817403 655095596 /nfs/dbraw/zinc/09/55/96/655095596.db2.gz OHRYJTNIVFENIH-BSNNYGBQSA-N 1 0 396.310 2.871 20 0 GFADRO C[C@@H]1C[C@@H](C(=O)Nc2cc(Br)ccc2N2CC[NH+](C)CC2)CCO1 ZINC000271828967 655096002 /nfs/dbraw/zinc/09/60/02/655096002.db2.gz DPYOXGFSUYWIBA-KGLIPLIRSA-N 1 0 396.329 2.955 20 0 GFADRO C[N@H+]1CC=C(CNC(=O)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000271944256 655099054 /nfs/dbraw/zinc/09/90/54/655099054.db2.gz XAVKBAJUAZALMW-UHFFFAOYSA-N 1 0 375.778 2.675 20 0 GFADRO C[N@H+]1CC=C(CNC(=O)[C@H](c2ccc(Br)cc2)N2CCCC2)CC1 ZINC000271993189 655100437 /nfs/dbraw/zinc/10/04/37/655100437.db2.gz QDUDGHHKFATWEU-SFHVURJKSA-N 1 0 392.341 2.964 20 0 GFADRO C[C@@H](O)C[N@@H+]1CCN(CC(=O)Nc2c(Cl)cc(Cl)cc2Cl)C[C@H]1C ZINC000106100686 655102314 /nfs/dbraw/zinc/10/23/14/655102314.db2.gz UHZFHRQUQVFNOC-GHMZBOCLSA-N 1 0 394.730 2.972 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCN(C(=O)C2(c3ccc(Br)cc3)CCOCC2)C1 ZINC000272174130 655105025 /nfs/dbraw/zinc/10/50/25/655105025.db2.gz CITFGTXULFEOCX-KBPBESRZSA-N 1 0 381.314 2.693 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)c2ccc(Cl)c(I)c2)C1 ZINC000272324711 655108944 /nfs/dbraw/zinc/10/89/44/655108944.db2.gz UOIWUPXPDHBLFL-PSASIEDQSA-N 1 0 378.641 2.754 20 0 GFADRO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)N1CC[C@H]([C@H](C)[NH3+])C1 ZINC000272310168 655108575 /nfs/dbraw/zinc/10/85/75/655108575.db2.gz RRXBDJHXDCGUHQ-QWRGUYRKSA-N 1 0 379.254 2.673 20 0 GFADRO COc1ccc(OC(F)F)c(NC(=O)N2C[C@@H]([NH+](C)C)[C@@H](SC)C2)c1 ZINC000272333337 655109258 /nfs/dbraw/zinc/10/92/58/655109258.db2.gz KTWVYJAFYWQCHQ-OCCSQVGLSA-N 1 0 375.441 2.806 20 0 GFADRO O=S(=O)(N[C@H]1CC[N@@H+](C2CCCC2)C1)c1sccc1Br ZINC000106891737 655113187 /nfs/dbraw/zinc/11/31/87/655113187.db2.gz UMHZOESCASJTPK-JTQLQIEISA-N 1 0 379.345 2.806 20 0 GFADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)c3cn(-c4ccc(Br)cc4)cn3)[C@H]2C1 ZINC000272491200 655114814 /nfs/dbraw/zinc/11/48/14/655114814.db2.gz NBOJYAIUDDGQSQ-DYVFJYSZSA-N 1 0 389.297 2.801 20 0 GFADRO Cc1cccc(C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)c1I ZINC000272500432 655115130 /nfs/dbraw/zinc/11/51/30/655115130.db2.gz NSYMHDGIIMBIAC-JSGCOSHPSA-N 1 0 384.261 2.766 20 0 GFADRO CC[NH+]1CCN([C@H]2CCN(C(=O)Nc3ccc(F)cc3Br)C2)CC1 ZINC000106941013 655115534 /nfs/dbraw/zinc/11/55/34/655115534.db2.gz DWQDSOWRJRJXBR-AWEZNQCLSA-N 1 0 399.308 2.832 20 0 GFADRO Cc1ccc(NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)cc1Br ZINC000106963399 655115832 /nfs/dbraw/zinc/11/58/32/655115832.db2.gz USWJGOKBZRMPRT-AWEZNQCLSA-N 1 0 394.313 2.829 20 0 GFADRO C[C@H](NC(=O)c1c(F)cccc1I)C1=CC[N@H+](C)CC1 ZINC000272645281 655117948 /nfs/dbraw/zinc/11/79/48/655117948.db2.gz DBOYXIDTWDTDEX-JTQLQIEISA-N 1 0 388.224 2.811 20 0 GFADRO CCC[NH+]1CCC(NC(=O)NCc2cn3cc(Br)ccc3n2)CC1 ZINC000107327094 655119748 /nfs/dbraw/zinc/11/97/48/655119748.db2.gz FLSDKIRZIYLKHD-UHFFFAOYSA-N 1 0 394.317 2.770 20 0 GFADRO COC(=O)c1ccc(C[NH2+]Cc2cc(Br)c3c(c2)OCCO3)[nH]1 ZINC000272725495 655120046 /nfs/dbraw/zinc/12/00/46/655120046.db2.gz GVZRIMOLWHBHGN-UHFFFAOYSA-N 1 0 381.226 2.625 20 0 GFADRO C[C@@H](NC(=O)Cc1ccccc1I)C1=CC[N@H+](C)CC1 ZINC000272747650 655120236 /nfs/dbraw/zinc/12/02/36/655120236.db2.gz NUUAPOJBZPCUHD-GFCCVEGCSA-N 1 0 384.261 2.600 20 0 GFADRO CC[NH+](CC)C[C@@H]1CCN(C(=O)C(=O)Nc2cc(Cl)c(N)c(Cl)c2)C1 ZINC000839491403 661086917 /nfs/dbraw/zinc/08/69/17/661086917.db2.gz WHVQEGNBZZMEBS-NSHDSACASA-N 1 0 387.311 2.704 20 0 GFADRO Cc1ccc(C(=O)N[C@H](C)C2=CC[N@H+](C)CC2)cc1I ZINC000272809990 655121805 /nfs/dbraw/zinc/12/18/05/655121805.db2.gz VWQXSFUNMSRLPJ-GFCCVEGCSA-N 1 0 384.261 2.980 20 0 GFADRO C[C@@]1([NH2+]CCS(=O)(=O)c2cccc(Br)c2)CCO[C@H]1C1CC1 ZINC000273049061 655128877 /nfs/dbraw/zinc/12/88/77/655128877.db2.gz KDLRDMDQVLSLTI-JKSUJKDBSA-N 1 0 388.327 2.770 20 0 GFADRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)c2sccc2S(=O)(=O)C(F)F)C1 ZINC000108263173 655130207 /nfs/dbraw/zinc/13/02/07/655130207.db2.gz BETAQMCIDJKROH-LLVKDONJSA-N 1 0 380.482 2.595 20 0 GFADRO OC[C@@H]([NH2+]C[C@@H](O)COc1ccccc1F)c1cccc(Br)c1 ZINC000273093747 655130220 /nfs/dbraw/zinc/13/02/20/655130220.db2.gz KATWJYOBKATZFM-GDBMZVCRSA-N 1 0 384.245 2.651 20 0 GFADRO C[N@@H+]1CCC[C@@H](CNC(=O)c2cc(-c3ccc(Br)cc3)n[nH]2)C1 ZINC000108329776 655131409 /nfs/dbraw/zinc/13/14/09/655131409.db2.gz FSOBMRWMBGXYQT-LBPRGKRZSA-N 1 0 377.286 2.911 20 0 GFADRO C[N@@H+]1CCC[C@H](CNC(=O)N2CCO[C@H](c3ccc(Br)cc3)C2)C1 ZINC000108588955 655134974 /nfs/dbraw/zinc/13/49/74/655134974.db2.gz LVHSGGMRKGJOPG-PBHICJAKSA-N 1 0 396.329 2.874 20 0 GFADRO C[N@@H+]1CCC[C@@H](CNC(=O)N2CCO[C@H](c3ccccc3Br)C2)C1 ZINC000108589860 655135261 /nfs/dbraw/zinc/13/52/61/655135261.db2.gz QDHCHZIMCOOGKG-YOEHRIQHSA-N 1 0 396.329 2.874 20 0 GFADRO CC[C@H]([NH2+][C@@H](C)C(=O)N(CC)[C@@H]1CCS(=O)(=O)C1)c1ccc(Cl)s1 ZINC000273226482 655135835 /nfs/dbraw/zinc/13/58/35/655135835.db2.gz CADPVYYOBQFMJO-XQQFMLRXSA-N 1 0 392.974 2.866 20 0 GFADRO O=C([C@H](O)c1cc(Cl)cc(Cl)c1)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000164024952 655136749 /nfs/dbraw/zinc/13/67/49/655136749.db2.gz LGWPDXMGIVSCEW-SUMWQHHRSA-N 1 0 387.307 2.598 20 0 GFADRO COc1cc(C)c([C@@H](C)[NH2+]C[C@H](O)CS(=O)(=O)c2cccs2)cc1C ZINC000273428609 655143189 /nfs/dbraw/zinc/14/31/89/655143189.db2.gz YTFAXWAIOCUJLM-CABCVRRESA-N 1 0 383.535 2.859 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CCNC(=[NH2+])Nc1ccccn1 ZINC000170913908 655147138 /nfs/dbraw/zinc/14/71/38/655147138.db2.gz CBPDOWOFOSVXRH-UHFFFAOYSA-N 1 0 376.258 2.908 20 0 GFADRO CC[C@@H]([NH2+]CC(=O)Nc1cccc(S(N)(=O)=O)c1)c1ccc(Cl)s1 ZINC000273559679 655148088 /nfs/dbraw/zinc/14/80/88/655148088.db2.gz ZDALRIHOFIKMRJ-GFCCVEGCSA-N 1 0 387.914 2.728 20 0 GFADRO COCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](Cc2sc(C)nc2C(F)(F)F)C1 ZINC000273636245 655152031 /nfs/dbraw/zinc/15/20/31/655152031.db2.gz SYCUFKWLJFMVHM-ZYHUDNBSSA-N 1 0 379.448 2.833 20 0 GFADRO CC(C)(C)c1ncc(C[NH2+]CC2CCN(S(=O)(=O)C(F)F)CC2)s1 ZINC000171842042 655154438 /nfs/dbraw/zinc/15/44/38/655154438.db2.gz SYHGVMWWWKGFOI-UHFFFAOYSA-N 1 0 381.514 2.795 20 0 GFADRO C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCCN2C(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000110653619 655158293 /nfs/dbraw/zinc/15/82/93/655158293.db2.gz OOCMFCOFFVZTIK-WBMJQRKESA-N 1 0 384.307 2.666 20 0 GFADRO CN(C)[C@H](CNC(=O)COc1ccc(C=O)cc1Br)c1ccco1 ZINC000173078839 655162626 /nfs/dbraw/zinc/16/26/26/655162626.db2.gz OMCMBMZKIMZGIO-CQSZACIVSA-N 1 0 395.253 2.653 20 0 GFADRO C[N@H+](CCn1cc(Br)cn1)Cc1ccccc1N1CCOCC1 ZINC000111195635 655166304 /nfs/dbraw/zinc/16/63/04/655166304.db2.gz WXMVLPRRGQKCOH-UHFFFAOYSA-N 1 0 379.302 2.614 20 0 GFADRO C[C@@H]1C[C@H](N(C)S(=O)(=O)c2cc(Br)ccc2F)CC[N@@H+]1C ZINC000173274365 655166622 /nfs/dbraw/zinc/16/66/22/655166622.db2.gz LGMBODAUFKIKIX-ZYHUDNBSSA-N 1 0 379.295 2.691 20 0 GFADRO CNS(=O)(=O)CCC[N@H+](C)[C@@H]1CCSc2ccc(Br)cc21 ZINC000111222049 655166662 /nfs/dbraw/zinc/16/66/62/655166662.db2.gz BTYFURTXSGMPOV-CYBMUJFWSA-N 1 0 393.372 2.857 20 0 GFADRO Cc1c(Br)cccc1C(=O)NCC1CC[NH+](CCN(C)C)CC1 ZINC000173409530 655170749 /nfs/dbraw/zinc/17/07/49/655170749.db2.gz SWKXBYIIBZPBAF-UHFFFAOYSA-N 1 0 382.346 2.761 20 0 GFADRO CC[NH+]1CCN(c2ccccc2NC(=O)c2cnn(C)c2Br)CC1 ZINC000274065275 655171405 /nfs/dbraw/zinc/17/14/05/655171405.db2.gz JTVXYARRKKJBSR-UHFFFAOYSA-N 1 0 392.301 2.577 20 0 GFADRO Brc1cccc(-c2c[nH]c(C[NH2+]C[C@H]3CN(C4CC4)CCO3)n2)c1 ZINC000111384273 655172418 /nfs/dbraw/zinc/17/24/18/655172418.db2.gz IEQOMOUJUOEUFV-INIZCTEOSA-N 1 0 391.313 2.792 20 0 GFADRO Brc1c(-c2nc([C@@H]3C[N@@H+]4CCC[C@@H]4CO3)no2)n[nH]c1C1CC1 ZINC000274147641 655175509 /nfs/dbraw/zinc/17/55/09/655175509.db2.gz YOFRLNUXSAAGHS-ZJUUUORDSA-N 1 0 380.246 2.635 20 0 GFADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)N(C)Cc1cc(Br)cs1 ZINC000111866351 655178463 /nfs/dbraw/zinc/17/84/63/655178463.db2.gz ITPWZYKCLRTGFQ-ZDUSSCGKSA-N 1 0 390.347 2.763 20 0 GFADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)N(C)Cc1csc(Br)c1 ZINC000111866919 655178475 /nfs/dbraw/zinc/17/84/75/655178475.db2.gz DLLDIZDRENFVJO-ZDUSSCGKSA-N 1 0 390.347 2.763 20 0 GFADRO C[C@H]1C[C@@H](N(C)C(=O)COc2ccc(C=O)cc2Br)CC[N@@H+]1C ZINC000173748229 655179460 /nfs/dbraw/zinc/17/94/60/655179460.db2.gz WCTHOWMXKYYTTN-JSGCOSHPSA-N 1 0 383.286 2.582 20 0 GFADRO CN(C(=O)c1cnn(C)c1Br)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000274268025 655182911 /nfs/dbraw/zinc/18/29/11/655182911.db2.gz WPFFKBPQJSMCON-HNNXBMFYSA-N 1 0 391.313 2.919 20 0 GFADRO CCCC[N@H+](C)CCNC(=O)c1nnn(-c2cccc(Br)c2)c1C ZINC000112311182 655188431 /nfs/dbraw/zinc/18/84/31/655188431.db2.gz QNJZWXSNYQPEDP-UHFFFAOYSA-N 1 0 394.317 2.800 20 0 GFADRO C[C@@H]1CC[C@H](C)[N@H+](CC(=O)NCC(=O)Nc2ccccc2Br)C1 ZINC000174012398 655190295 /nfs/dbraw/zinc/19/02/95/655190295.db2.gz XXJFBDIMYBBEGL-OLZOCXBDSA-N 1 0 382.302 2.624 20 0 GFADRO COc1ccc(C[N@H+](CCO)CCOCC(F)(F)F)cc1Br ZINC000112412634 655191110 /nfs/dbraw/zinc/19/11/10/655191110.db2.gz FXOMNIGRHJLYSN-UHFFFAOYSA-N 1 0 386.208 2.831 20 0 GFADRO C[C@H]([NH2+]CC1CCN(S(C)(=O)=O)CC1)c1ccc(OC(F)(F)F)cc1 ZINC000112539482 655193000 /nfs/dbraw/zinc/19/30/00/655193000.db2.gz DOSKRJBFHNYLEQ-LBPRGKRZSA-N 1 0 380.432 2.907 20 0 GFADRO NC(=O)[C@@]1(c2ccccc2)CC[N@H+](C[C@@H](O)c2cccc(Br)c2)C1 ZINC000839638805 661097784 /nfs/dbraw/zinc/09/77/84/661097784.db2.gz ATYXLUDONSKZJG-MJGOQNOKSA-N 1 0 389.293 2.612 20 0 GFADRO CC(C)[NH+]1CCC(C(=O)NCc2cc3c(c(Br)c2)OCO3)CC1 ZINC000174288082 655197184 /nfs/dbraw/zinc/19/71/84/655197184.db2.gz DXDXEBSNQNQROV-UHFFFAOYSA-N 1 0 383.286 2.914 20 0 GFADRO C[C@](O)(C[NH2+][C@H](CO)[C@@H]1CCCOC1)c1ccc(Br)cc1Cl ZINC000839650102 661098671 /nfs/dbraw/zinc/09/86/71/661098671.db2.gz INQBLTVIMWZLIW-LYRGGWFBSA-N 1 0 392.721 2.687 20 0 GFADRO CC[NH+]1CCN([C@H](C)CNC(=O)c2cc(-c3ccc(Cl)s3)on2)CC1 ZINC000112916885 655199576 /nfs/dbraw/zinc/19/95/76/655199576.db2.gz PEDINDLTQSNSKG-GFCCVEGCSA-N 1 0 382.917 2.812 20 0 GFADRO CC[NH+]1CCN(CCNC(=O)Cc2csc(-c3ccc(Cl)s3)n2)CC1 ZINC000112918028 655199788 /nfs/dbraw/zinc/19/97/88/655199788.db2.gz BFRYYVPTOSLAET-UHFFFAOYSA-N 1 0 398.985 2.821 20 0 GFADRO O=C1CCCN1[C@@H]1CCC[N@@H+](C[C@@H](O)c2cccc(Br)c2)CC1 ZINC000839666618 661099103 /nfs/dbraw/zinc/09/91/03/661099103.db2.gz PGZBQDDAEABNKK-IAGOWNOFSA-N 1 0 381.314 2.959 20 0 GFADRO COc1cc(Br)cc(NC(=O)N[C@H](C)CC[NH+]2CCN(C)CC2)c1 ZINC000274819755 655203400 /nfs/dbraw/zinc/20/34/00/655203400.db2.gz OITKQHUUGQCKGY-CYBMUJFWSA-N 1 0 399.333 2.605 20 0 GFADRO COC(=O)C(C)(C)C[NH2+]Cc1ncc(Br)cc1Br ZINC000274878897 655205635 /nfs/dbraw/zinc/20/56/35/655205635.db2.gz YLBYCEGPTQUNNK-UHFFFAOYSA-N 1 0 380.080 2.895 20 0 GFADRO COc1ccc(C[NH2+]CCNC(=O)c2cccc(Br)c2)cc1O ZINC000113354538 655208524 /nfs/dbraw/zinc/20/85/24/655208524.db2.gz ZOZITPXNBFOYRF-UHFFFAOYSA-N 1 0 379.254 2.683 20 0 GFADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)N[C@H]1CCc2c1ccc(Cl)c2Cl ZINC000113408783 655209827 /nfs/dbraw/zinc/20/98/27/655209827.db2.gz JHMBPWHFNIPCRC-WBMJQRKESA-N 1 0 385.339 2.916 20 0 GFADRO COCCNS(=O)(=O)c1cccc(C[NH2+]Cc2cc(F)cc(Cl)c2)c1 ZINC000274987753 655210214 /nfs/dbraw/zinc/21/02/14/655210214.db2.gz LHEOIASHBFXQSL-UHFFFAOYSA-N 1 0 386.876 2.694 20 0 GFADRO C[NH+](C)C[C@@H]1CCN(C(=O)c2cc(-c3ccc(Br)cc3)n[nH]2)C1 ZINC000113455833 655210580 /nfs/dbraw/zinc/21/05/80/655210580.db2.gz NFNUCUJHNUQCLH-LBPRGKRZSA-N 1 0 377.286 2.863 20 0 GFADRO COc1nc(C)c(Br)cc1C(=O)N(C)[C@H](C)C1CC[NH+](C)CC1 ZINC000275010558 655211230 /nfs/dbraw/zinc/21/12/30/655211230.db2.gz QCRMIEKXZDVYTP-GFCCVEGCSA-N 1 0 384.318 2.963 20 0 GFADRO CS[C@@H]1CN(C(=O)c2cn(C)nc2-c2cccs2)C[C@@H]1[NH+]1CCCC1 ZINC000275148772 655219688 /nfs/dbraw/zinc/21/96/88/655219688.db2.gz ROSCBBFJBHXMEA-GOEBONIOSA-N 1 0 376.551 2.800 20 0 GFADRO C[NH+](C)[C@H]1CCN(C(=O)Nc2cc(Br)ccc2-n2cccn2)C1 ZINC000175849582 655228726 /nfs/dbraw/zinc/22/87/26/655228726.db2.gz AODYTODXXXJSLP-ZDUSSCGKSA-N 1 0 378.274 2.803 20 0 GFADRO CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)Nc1nc(-c2cccs2)cs1 ZINC000176041775 655232805 /nfs/dbraw/zinc/23/28/05/655232805.db2.gz MRFKXHCGAHYLSV-LBPRGKRZSA-N 1 0 378.523 2.801 20 0 GFADRO O=C(c1cc(I)c[nH]1)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000115360537 655236194 /nfs/dbraw/zinc/23/61/94/655236194.db2.gz HOVXTGCYLTYQCC-ZDUSSCGKSA-N 1 0 387.265 2.710 20 0 GFADRO O=C(c1cc(I)c[nH]1)N1CCC[C@@H]([NH+]2CCCCC2)C1 ZINC000115375288 655236397 /nfs/dbraw/zinc/23/63/97/655236397.db2.gz XMMGUCDXCCCQQL-CYBMUJFWSA-N 1 0 387.265 2.710 20 0 GFADRO O[C@H](c1ncc[nH]1)C1CC[NH+](CCOc2ccc(Br)cc2)CC1 ZINC000839576369 661093194 /nfs/dbraw/zinc/09/31/94/661093194.db2.gz NMYBVGOSJWVFDX-INIZCTEOSA-N 1 0 380.286 2.997 20 0 GFADRO CCOCCC[N@@H+]1CC[C@H](NS(=O)(=O)c2ccc(Cl)cc2F)[C@H](C)C1 ZINC000115592280 655240070 /nfs/dbraw/zinc/24/00/70/655240070.db2.gz AUQXHYPRMMKSPV-CJNGLKHVSA-N 1 0 392.924 2.894 20 0 GFADRO CSc1nnc(CNC(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)s1 ZINC000275544260 655241074 /nfs/dbraw/zinc/24/10/74/655241074.db2.gz ZMOLUIJXPWCGME-OCCSQVGLSA-N 1 0 377.539 2.580 20 0 GFADRO CN(Cc1cc(Br)cs1)C(=O)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000275621540 655244323 /nfs/dbraw/zinc/24/43/23/655244323.db2.gz MIHRCPJNFADHON-LBPRGKRZSA-N 1 0 383.315 2.904 20 0 GFADRO CCN(C[C@H]1CC[N@H+](CC(=O)N(C)Cc2cccs2)C1)CC(F)(F)F ZINC000176409922 655244435 /nfs/dbraw/zinc/24/44/35/655244435.db2.gz WECCUZDRXRWOKQ-CQSZACIVSA-N 1 0 377.476 2.913 20 0 GFADRO C[NH+](C)CCCOC1CCN(C(=O)c2cc(Br)ccc2O)CC1 ZINC000176424052 655245160 /nfs/dbraw/zinc/24/51/60/655245160.db2.gz AOBJIPZGIGYIPT-UHFFFAOYSA-N 1 0 385.302 2.728 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)C(=O)N(C)[C@H](C)C1CC[NH+](C)CC1 ZINC000275735445 655249039 /nfs/dbraw/zinc/24/90/39/655249039.db2.gz ANSSEXNEGWOFDK-CYBMUJFWSA-N 1 0 396.329 2.885 20 0 GFADRO Cc1cc(S(=O)(=O)N2CC[C@@H]([NH+]3CCCC3)C2)c(C)cc1Br ZINC000116898066 655256013 /nfs/dbraw/zinc/25/60/13/655256013.db2.gz ILWIXDVXEUNIRB-CQSZACIVSA-N 1 0 387.343 2.925 20 0 GFADRO CC(=O)N1CCN(CC[NH2+][C@H](c2ccc(Br)s2)C2CC2)CC1 ZINC000275961223 655256742 /nfs/dbraw/zinc/25/67/42/655256742.db2.gz VUROYONBCBDISD-INIZCTEOSA-N 1 0 386.359 2.715 20 0 GFADRO CN(CC[NH+](C)C)C(=O)Nc1ccc(I)cc1Cl ZINC000176839914 655257618 /nfs/dbraw/zinc/25/76/18/655257618.db2.gz GZESFLHTIAANAR-UHFFFAOYSA-N 1 0 381.645 2.970 20 0 GFADRO CNS(=O)(=O)c1cccc(C[NH2+][C@@H]2CCSc3ccc(OC)cc32)c1 ZINC000276198309 655267045 /nfs/dbraw/zinc/26/70/45/655267045.db2.gz YDVAFLKQYNXEAO-QGZVFWFLSA-N 1 0 378.519 2.930 20 0 GFADRO COC[C@H](O)C[NH2+]Cc1cc(Br)ccc1OCc1ccccn1 ZINC000117946437 655270360 /nfs/dbraw/zinc/27/03/60/655270360.db2.gz GFADGCSELJNGNY-MRXNPFEDSA-N 1 0 381.270 2.520 20 0 GFADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)Nc1cc(OC)ccc1Br ZINC000118018132 655271171 /nfs/dbraw/zinc/27/11/71/655271171.db2.gz CNSAZRYSNRHXIL-GFCCVEGCSA-N 1 0 386.290 2.690 20 0 GFADRO CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)Nc1ccc(F)cc1Br ZINC000118126763 655272383 /nfs/dbraw/zinc/27/23/83/655272383.db2.gz PTFXOZGNCQKVNQ-LBPRGKRZSA-N 1 0 386.265 2.517 20 0 GFADRO C[N@H+](CCNC(=O)C(=O)Nc1ccc(Br)cc1F)C1CCCC1 ZINC000118132448 655272399 /nfs/dbraw/zinc/27/23/99/655272399.db2.gz RNBLBNYDFLZPOZ-UHFFFAOYSA-N 1 0 386.265 2.517 20 0 GFADRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)COc2ccc(C=O)cc2Br)C1 ZINC000177484799 655277337 /nfs/dbraw/zinc/27/73/37/655277337.db2.gz NQFITAHILKJPMC-KGLIPLIRSA-N 1 0 383.286 2.629 20 0 GFADRO CN(C[C@H]1CCC[N@@H+]1C)S(=O)(=O)c1ccc(Br)cc1Cl ZINC000118670200 655280448 /nfs/dbraw/zinc/28/04/48/655280448.db2.gz CWHZTYHKDDMVGZ-LLVKDONJSA-N 1 0 381.723 2.817 20 0 GFADRO CS[C@H](CO)[C@@H](C)NC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000119070440 655288724 /nfs/dbraw/zinc/28/87/24/655288724.db2.gz JNFREGTWOZMENK-CXAGYDPISA-N 1 0 385.961 2.716 20 0 GFADRO COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000276864735 655290915 /nfs/dbraw/zinc/29/09/15/655290915.db2.gz XSFOWEYCCKVSGA-JSGCOSHPSA-N 1 0 386.279 2.684 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000178000415 655294547 /nfs/dbraw/zinc/29/45/47/655294547.db2.gz WRVKOCAAVQMBPH-ZIAGYGMSSA-N 1 0 382.302 2.685 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(Br)cc2F)C1 ZINC000178002533 655294932 /nfs/dbraw/zinc/29/49/32/655294932.db2.gz WRUZVAFEWJIJGA-VXGBXAGGSA-N 1 0 386.265 2.516 20 0 GFADRO CCO[C@H](CC[NH+](C)C)CNC(=O)Nc1cc(OC)ccc1Br ZINC000119282316 655296820 /nfs/dbraw/zinc/29/68/20/655296820.db2.gz NDURFMCKZXPZDS-CYBMUJFWSA-N 1 0 388.306 2.936 20 0 GFADRO C[C@@H](Cc1ccc(F)cc1)[NH2+]CC1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000178108257 655297986 /nfs/dbraw/zinc/29/79/86/655297986.db2.gz MJYKAQFEAZRPRR-LBPRGKRZSA-N 1 0 382.423 2.908 20 0 GFADRO CCN(CC)S(=O)(=O)c1cc(NC(=O)C2([NH+](C)C)CCC2)ccc1Cl ZINC000119311208 655298183 /nfs/dbraw/zinc/29/81/83/655298183.db2.gz CWVVQPBZUNGHGI-UHFFFAOYSA-N 1 0 387.933 2.793 20 0 GFADRO CC(C)(C)S(=O)(=O)N1CCC([NH2+]Cc2cnc3ccc(Cl)cn23)CC1 ZINC000277017525 655298633 /nfs/dbraw/zinc/29/86/33/655298633.db2.gz ZEZJBHJUUPKWNZ-UHFFFAOYSA-N 1 0 384.933 2.670 20 0 GFADRO CCN(CC)S(=O)(=O)c1ccc(CC[NH2+][C@@H](C)c2cnn(CC)c2)s1 ZINC000119376197 655301471 /nfs/dbraw/zinc/30/14/71/655301471.db2.gz ROKSFZASLBEAMC-AWEZNQCLSA-N 1 0 384.571 2.888 20 0 GFADRO CC[N@H+](CCOc1ccc(Br)cc1)C[C@@H](C)CS(C)(=O)=O ZINC000119411228 655303064 /nfs/dbraw/zinc/30/30/64/655303064.db2.gz HSDBHUREFVBEED-CYBMUJFWSA-N 1 0 378.332 2.831 20 0 GFADRO Cc1cc(NC(=O)C(=O)N2CCC[C@@H]([NH+](C)C)CC2)ccc1Br ZINC000277148106 655305398 /nfs/dbraw/zinc/30/53/98/655305398.db2.gz QLDUEIJNVOIGBI-CQSZACIVSA-N 1 0 382.302 2.639 20 0 GFADRO CCN(CC)S(=O)(=O)c1ccc(CC[NH2+][C@H](C)c2cn(C)nc2C)s1 ZINC000178657866 655307132 /nfs/dbraw/zinc/30/71/32/655307132.db2.gz OTWSVFRCKVZZPL-CYBMUJFWSA-N 1 0 384.571 2.714 20 0 GFADRO Cc1ccc(NC(=O)c2csc(S(C)(=O)=O)c2)c(OCC[NH+](C)C)c1 ZINC000119625700 655308878 /nfs/dbraw/zinc/30/88/78/655308878.db2.gz BMJQDZVNSSKPJI-UHFFFAOYSA-N 1 0 382.507 2.653 20 0 GFADRO CCCN([C@H]1CC[NH2+]C1)S(=O)(=O)c1cc(C(=O)OC)c(Cl)cc1Cl ZINC000178933434 655310696 /nfs/dbraw/zinc/31/06/96/655310696.db2.gz MPIUOQHZEGMRJA-JTQLQIEISA-N 1 0 395.308 2.543 20 0 GFADRO COc1ccc([C@@H](CNc2ncncc2Br)[NH+](C)C)cc1OC ZINC000119865221 655318882 /nfs/dbraw/zinc/31/88/82/655318882.db2.gz VDODCKHOFRHLOR-CYBMUJFWSA-N 1 0 381.274 2.971 20 0 GFADRO Cc1nc(Br)ccc1NC(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000277429788 655318965 /nfs/dbraw/zinc/31/89/65/655318965.db2.gz KQUPSAMTTGDTGF-LBPRGKRZSA-N 1 0 385.306 2.775 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH2+][C@@H]1CCC(=O)N(C)C1 ZINC000119912638 655321140 /nfs/dbraw/zinc/32/11/40/655321140.db2.gz WIZUOBJIFQYRKC-OAHLLOKOSA-N 1 0 391.313 2.962 20 0 GFADRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)C(=O)Nc1ccc(Br)cc1 ZINC000119985449 655324052 /nfs/dbraw/zinc/32/40/52/655324052.db2.gz OLBQFUYEWXKNGR-OAHLLOKOSA-N 1 0 382.302 2.720 20 0 GFADRO O=S(=O)(CC[NH2+]Cc1ccc(SC(F)F)cc1)NC[C@H]1CCCCO1 ZINC000180938501 655331494 /nfs/dbraw/zinc/33/14/94/655331494.db2.gz DBXPBVVNCMJJAY-CQSZACIVSA-N 1 0 394.509 2.579 20 0 GFADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3c[nH]c4ncc(Br)cc34)CC[C@@H]21 ZINC000280981298 655331638 /nfs/dbraw/zinc/33/16/38/655331638.db2.gz AKTGTPRIDAGPBW-ABAIWWIYSA-N 1 0 377.286 2.882 20 0 GFADRO O=C(NCC1CC[NH2+]CC1)[C@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1 ZINC000120625410 655340784 /nfs/dbraw/zinc/34/07/84/655340784.db2.gz OJNZMHRWRZCTLI-MRXNPFEDSA-N 1 0 384.307 2.714 20 0 GFADRO CCO[C@@H]1C[C@@H]([NH2+]CC2CCN(S(=O)(=O)C(F)F)CC2)C1(CC)CC ZINC000181953207 655341615 /nfs/dbraw/zinc/34/16/15/655341615.db2.gz HRUWNJWLLAHSHW-HUUCEWRRSA-N 1 0 382.517 2.824 20 0 GFADRO COC(=O)CC[N@H+](CN1CC[C@H](c2cccc(Br)c2)C1=O)C(C)C ZINC000839995771 661122642 /nfs/dbraw/zinc/12/26/42/661122642.db2.gz OAWJSLWFDYSPLC-MRXNPFEDSA-N 1 0 397.313 2.996 20 0 GFADRO COc1ccc(CCC(=O)N2CCC[C@]3(CC[NH2+]C3)C2)cc1Br ZINC000289292660 655345720 /nfs/dbraw/zinc/34/57/20/655345720.db2.gz RFPXTJVQSOTDMB-GOSISDBHSA-N 1 0 381.314 2.992 20 0 GFADRO CC(=O)N[C@H](CC(=O)NNc1cc[nH+]cc1)c1ccc(Br)cc1 ZINC000183022103 655348577 /nfs/dbraw/zinc/34/85/77/655348577.db2.gz HACKVGWDJUDUHM-OAHLLOKOSA-N 1 0 377.242 2.555 20 0 GFADRO OC[C@@H](C[C@H](O)c1ccccc1)[NH2+]Cc1cn2ccc(Br)cc2n1 ZINC000289426770 655348794 /nfs/dbraw/zinc/34/87/94/655348794.db2.gz DERFTNASDDFQRD-WBVHZDCISA-N 1 0 390.281 2.671 20 0 GFADRO Brc1ccc(-c2c[nH]c(C[NH2+]CCN3CCCOCC3)n2)cc1 ZINC000289422104 655348879 /nfs/dbraw/zinc/34/88/79/655348879.db2.gz JJFKPLLHHAYBKC-UHFFFAOYSA-N 1 0 379.302 2.651 20 0 GFADRO C[C@H](CCNC(=O)c1sccc1S(=O)(=O)C(F)F)[NH+]1CCCCC1 ZINC000183107651 655349009 /nfs/dbraw/zinc/34/90/09/655349009.db2.gz CDCVAUOGCHFFLZ-LLVKDONJSA-N 1 0 380.482 2.739 20 0 GFADRO COc1ccc(C(=O)NCc2ccc(F)c(C[NH+](C)C)c2)nc1Br ZINC000183143788 655349229 /nfs/dbraw/zinc/34/92/29/655349229.db2.gz NUILMJVFOZBWJO-UHFFFAOYSA-N 1 0 396.260 2.983 20 0 GFADRO O=C1[C@@H](c2cccc(Br)c2)CCN1CN1CC[C@H]([NH+]2CC=CC2)C1 ZINC000840012080 661124500 /nfs/dbraw/zinc/12/45/00/661124500.db2.gz RGKKLPDFJMPBSH-ZWKOTPCHSA-N 1 0 390.325 2.669 20 0 GFADRO Cn1cc(Br)c(C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)n1 ZINC000292897229 655356360 /nfs/dbraw/zinc/35/63/60/655356360.db2.gz VURNXQGARBBMLG-CQSZACIVSA-N 1 0 377.286 2.577 20 0 GFADRO COc1ccc(O)c([C@H](C)[NH2+]CCNS(=O)(=O)c2cccc(Cl)c2)c1 ZINC000185198713 655362926 /nfs/dbraw/zinc/36/29/26/655362926.db2.gz KERCTERMLIWZQW-LBPRGKRZSA-N 1 0 384.885 2.683 20 0 GFADRO CN(CC[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)S(=O)(=O)c1cccs1 ZINC000185308665 655363542 /nfs/dbraw/zinc/36/35/42/655363542.db2.gz NPRUJCNKXZWHCQ-UHFFFAOYSA-N 1 0 389.886 2.720 20 0 GFADRO CCOC(=O)N1CC[C@H]([NH2+][C@H](C)CC(=O)Nc2cccc(Br)c2)C1 ZINC000186451920 655369701 /nfs/dbraw/zinc/36/97/01/655369701.db2.gz JLSUHGZMMVSVSB-DOMZBBRYSA-N 1 0 398.301 2.987 20 0 GFADRO CC[N@H+](CCCN1C(=O)CS/C1=C\C(=O)OC)[C@@H](C)Cc1ccsc1 ZINC000187776447 655376465 /nfs/dbraw/zinc/37/64/65/655376465.db2.gz FEUPUEGTWNJQAN-FMNVXAMXSA-N 1 0 382.551 2.981 20 0 GFADRO C[C@]1(CNS(=O)(=O)c2cccnc2Cl)CC[N@H+](Cc2ccccc2)C1 ZINC000310953130 655379296 /nfs/dbraw/zinc/37/92/96/655379296.db2.gz ZRLCHDZUYBLUKB-GOSISDBHSA-N 1 0 379.913 2.926 20 0 GFADRO O=c1ccn(C[NH+]2CCC3(CC2)OCCCO3)c2c(Br)cccc12 ZINC000840088729 661131099 /nfs/dbraw/zinc/13/10/99/661131099.db2.gz VCHJUGQPCGWSKF-UHFFFAOYSA-N 1 0 393.281 2.951 20 0 GFADRO COc1ccc(Br)c(C(=O)NCCC[NH2+]Cc2ccc(F)nc2)c1 ZINC000189084097 655384476 /nfs/dbraw/zinc/38/44/76/655384476.db2.gz XOZDKLAOXXEPKC-UHFFFAOYSA-N 1 0 396.260 2.902 20 0 GFADRO CN(C)C1(C[N@H+](C)Cn2nc(Br)c(=O)c3ccccc32)CCC1 ZINC000189803746 655388425 /nfs/dbraw/zinc/38/84/25/655388425.db2.gz OXMALRZWDTZGQC-UHFFFAOYSA-N 1 0 379.302 2.533 20 0 GFADRO O=C1N[C@@]2(CCSC2)C(=O)N1C[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000349230830 655388664 /nfs/dbraw/zinc/38/86/64/655388664.db2.gz QICDAQZRETVZKJ-MAUKXSAKSA-N 1 0 379.913 2.904 20 0 GFADRO C[C@@H]1CCC[N@H+](CCN2C(=O)N[C@@H](c3ccc(Br)cc3)C2=O)C1 ZINC000349271439 655388857 /nfs/dbraw/zinc/38/88/57/655388857.db2.gz ORSVNNWNOLRYCS-DOMZBBRYSA-N 1 0 380.286 2.774 20 0 GFADRO Cc1nc(C)c(S(=O)(=O)N2C[C@@H]3[C@H](c4ccccc4)[N@H+](C)C[C@H]3C2)s1 ZINC000365898490 655396151 /nfs/dbraw/zinc/39/61/51/655396151.db2.gz ZTCQBRNOXRFQET-ULQDDVLXSA-N 1 0 377.535 2.683 20 0 GFADRO Cc1c([C@H](C)[NH2+]CC2CCN(S(=O)(=O)C(F)F)CC2)cnn1C(C)C ZINC000191362684 655397977 /nfs/dbraw/zinc/39/79/77/655397977.db2.gz ZMIQNFWZJZYXHS-LBPRGKRZSA-N 1 0 378.489 2.687 20 0 GFADRO O=C([C@@H]1CCN(c2cc(Cl)ccc2Cl)C1=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000366587472 655400149 /nfs/dbraw/zinc/40/01/49/655400149.db2.gz DXNKSCXQEPQAQK-ZLDLUXBVSA-N 1 0 382.291 2.557 20 0 GFADRO O=C([C@@H]1CCN(c2cc(Cl)ccc2Cl)C1=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000366587469 655400163 /nfs/dbraw/zinc/40/01/63/655400163.db2.gz DXNKSCXQEPQAQK-WHOFXGATSA-N 1 0 382.291 2.557 20 0 GFADRO CC(C)(O)C[N@@H+]1CCCN(C(=O)c2cc(-c3ccc(Cl)s3)on2)CC1 ZINC000366686554 655400770 /nfs/dbraw/zinc/40/07/70/655400770.db2.gz MQWFQXSQHQJPRD-UHFFFAOYSA-N 1 0 383.901 2.975 20 0 GFADRO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)NCC(F)(F)c1ccc(Cl)cc1 ZINC000419502947 655406934 /nfs/dbraw/zinc/40/69/34/655406934.db2.gz GGTVEYBZJRQAMB-QWHCGFSZSA-N 1 0 375.847 2.528 20 0 GFADRO O=C(c1cc(Cl)ccc1I)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000424028770 655407889 /nfs/dbraw/zinc/40/78/89/655407889.db2.gz OKWFNMSBITUSFI-AWEZNQCLSA-N 1 0 390.652 2.913 20 0 GFADRO C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)C(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000423083815 655407818 /nfs/dbraw/zinc/40/78/18/655407818.db2.gz HBUPIGRVXMTNHO-XIKOKIGWSA-N 1 0 384.307 2.867 20 0 GFADRO C[C@@H]1CCCC[C@@]1(C[NH3+])NS(=O)(=O)c1cc(Br)cnc1Cl ZINC000193035272 655408003 /nfs/dbraw/zinc/40/80/03/655408003.db2.gz XSYQVVRPARSDQN-RNCFNFMXSA-N 1 0 396.738 2.683 20 0 GFADRO CCOC(=O)COc1c(Br)cc(C)cc1C[NH2+][C@@H](CC)[C@@H](C)O ZINC000449546748 655410087 /nfs/dbraw/zinc/41/00/87/655410087.db2.gz WICRBJLILRXAJG-DOMZBBRYSA-N 1 0 388.302 2.948 20 0 GFADRO CCOC[C@@H]1C(=O)N([C@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)C(=O)N1C ZINC000530209075 655420176 /nfs/dbraw/zinc/42/01/76/655420176.db2.gz CPGSJXGOTUESJN-HUUCEWRRSA-N 1 0 388.295 2.895 20 0 GFADRO CC[C@H]([NH2+]CC(=O)Nc1ccc(Br)cn1)c1c(C)nn(C)c1C ZINC000541598168 655421429 /nfs/dbraw/zinc/42/14/29/655421429.db2.gz CHIYURMEDKOSKK-ZDUSSCGKSA-N 1 0 380.290 2.874 20 0 GFADRO O=C1NC(=O)C2(CCC([NH2+]CC3(c4ccccc4Br)CC3)CC2)N1 ZINC000553508642 655422571 /nfs/dbraw/zinc/42/25/71/655422571.db2.gz CTYWOWXMRDRLOL-UHFFFAOYSA-N 1 0 392.297 2.591 20 0 GFADRO CC(C)(C)OC(=O)N1CCOC[C@H]1C[NH2+]Cc1ccc(Br)o1 ZINC000227705674 655422887 /nfs/dbraw/zinc/42/28/87/655422887.db2.gz ZEODEISXJZVKTQ-LLVKDONJSA-N 1 0 375.263 2.768 20 0 GFADRO COc1ccc(S(=O)(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c(Cl)c1 ZINC000554703169 655423069 /nfs/dbraw/zinc/42/30/69/655423069.db2.gz NIIYKKDFNPGXLN-GUYCJALGSA-N 1 0 384.929 2.986 20 0 GFADRO Cc1c2cc(Cl)ccc2sc1CNC(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000566067038 655424674 /nfs/dbraw/zinc/42/46/74/655424674.db2.gz ANYXXUYVALEDRN-CQSZACIVSA-N 1 0 379.913 2.738 20 0 GFADRO CC(C)C[C@](C)(C[NH3+])NC(=O)/C=C/c1ccc(I)o1 ZINC000236702480 655424752 /nfs/dbraw/zinc/42/47/52/655424752.db2.gz MIZXCGMBNCVYAK-HZRUHFOJSA-N 1 0 376.238 2.777 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)NC1CCC([NH3+])CC1 ZINC000236828415 655424913 /nfs/dbraw/zinc/42/49/13/655424913.db2.gz VWRQDXOYAVXQDQ-WLYUNCDWSA-N 1 0 384.567 2.737 20 0 GFADRO CCOc1ccc(S(=O)(=O)N(C)C2CCC([NH3+])CC2)cc1Br ZINC000236860512 655425150 /nfs/dbraw/zinc/42/51/50/655425150.db2.gz CWOYNIIUTFFZBY-UHFFFAOYSA-N 1 0 391.331 2.738 20 0 GFADRO C[C@@H]1CN(Cn2nc(NC3CCCCC3)sc2=S)C[C@H](C)[N@H+]1CCO ZINC000840136194 661138481 /nfs/dbraw/zinc/13/84/81/661138481.db2.gz YWAQQHGGAJYKST-OKILXGFUSA-N 1 0 385.603 2.763 20 0 GFADRO CS(=O)(=O)Nc1ccc(-c2csc(NC(=O)CCCCC[NH3+])n2)cc1 ZINC000237410272 655426214 /nfs/dbraw/zinc/42/62/14/655426214.db2.gz SMIOAJSBJGVJCM-UHFFFAOYSA-N 1 0 382.511 2.639 20 0 GFADRO O=C([C@@H]1CCC[N@@H+](C[C@@H](O)c2ccc(Cl)cc2Cl)C1)N1CCOCC1 ZINC000245653941 655428150 /nfs/dbraw/zinc/42/81/50/655428150.db2.gz NPQNNQCNHVTBPI-CXAGYDPISA-N 1 0 387.307 2.598 20 0 GFADRO [NH3+]CC12CCC(CC1)CN2S(=O)(=O)c1c(Cl)cccc1Br ZINC000574339106 655429352 /nfs/dbraw/zinc/42/93/52/655429352.db2.gz MIEIZCRFNJSRGP-UHFFFAOYSA-N 1 0 393.734 2.995 20 0 GFADRO CCN(CCC[NH2+][C@@H]1CCc2cccc(Br)c2C1)S(C)(=O)=O ZINC000574341979 655429359 /nfs/dbraw/zinc/42/93/59/655429359.db2.gz HKOHICIBNHZNOQ-CQSZACIVSA-N 1 0 389.359 2.568 20 0 GFADRO COCC[N@H+]1[C@H](C)CN(C[C@@H](O)COc2ccc(Cl)cc2Cl)C[C@@H]1C ZINC000246514732 655430073 /nfs/dbraw/zinc/43/00/73/655430073.db2.gz BWDWYIRYYPLKPE-IJEWVQPXSA-N 1 0 391.339 2.774 20 0 GFADRO C[N@@H+]1C[C@@H]2CCCN(C(=O)C[C@@H]3Sc4ccc(Cl)cc4NC3=O)[C@@H]2C1 ZINC000574806309 655431020 /nfs/dbraw/zinc/43/10/20/655431020.db2.gz YXKDKQNKXPZPHJ-PEYYIBSZSA-N 1 0 379.913 2.696 20 0 GFADRO CC(C)[NH+]1CCC(N(C)S(=O)(=O)c2ccc3c(c2)OC(F)(F)O3)CC1 ZINC000574872259 655432515 /nfs/dbraw/zinc/43/25/15/655432515.db2.gz KFGJMBUCFISVBZ-UHFFFAOYSA-N 1 0 376.425 2.501 20 0 GFADRO CC[N@H+](C[C@@]1(C)CCN(C(=O)OC(C)(C)C)C1)[C@H](C)CS(=O)(=O)CC ZINC000248674778 655432944 /nfs/dbraw/zinc/43/29/44/655432944.db2.gz XNJDXTFOAVBIRR-CRAIPNDOSA-N 1 0 376.563 2.779 20 0 GFADRO CCS(=O)(=O)c1ccc(C[NH2+]C[C@@H](O)COc2c(C)cccc2C)s1 ZINC000575797257 655437209 /nfs/dbraw/zinc/43/72/09/655437209.db2.gz RVCFMUHNWKDZHU-OAHLLOKOSA-N 1 0 383.535 2.688 20 0 GFADRO O=C(C[C@H]1Sc2ccc(Cl)cc2NC1=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000575804111 655437548 /nfs/dbraw/zinc/43/75/48/655437548.db2.gz DPIUVHUAAJZNBR-QAPCUYQASA-N 1 0 379.913 2.745 20 0 GFADRO O=C(NC[C@H](O)COc1cccc(Cl)c1Cl)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000262435597 655445635 /nfs/dbraw/zinc/44/56/35/655445635.db2.gz LGPQYQKCBCGDGO-OSRDXIQISA-N 1 0 387.307 2.770 20 0 GFADRO O=C(C[C@H]1COCC[NH2+]1)Nc1cc(-c2cc(Br)ccc2Cl)[nH]n1 ZINC000262605266 655446404 /nfs/dbraw/zinc/44/64/04/655446404.db2.gz YEFNMILICZSRBY-JTQLQIEISA-N 1 0 399.676 2.810 20 0 GFADRO O=C(C[C@H]1CSCC[NH2+]1)Nc1nc(-c2ccc3c(c2)OCCO3)cs1 ZINC000262830281 655447317 /nfs/dbraw/zinc/44/73/17/655447317.db2.gz UWRSVKWGPLFLMK-LBPRGKRZSA-N 1 0 377.491 2.615 20 0 GFADRO O=C(C[C@H]1CSCC[NH2+]1)NC1(c2ccc(Br)cc2)CCOCC1 ZINC000262830373 655447347 /nfs/dbraw/zinc/44/73/47/655447347.db2.gz UZCFUDDVHCEPIH-HNNXBMFYSA-N 1 0 399.354 2.666 20 0 GFADRO COC[C@]1(CNC(=O)[C@H](Oc2ccccc2Br)C(C)C)CCC[NH2+]1 ZINC000576628083 655450039 /nfs/dbraw/zinc/45/00/39/655450039.db2.gz MQWMDTGYAKMMFY-SJLPKXTDSA-N 1 0 399.329 2.737 20 0 GFADRO O[C@@H](C[NH2+]C[C@@H]1Cc2ccccc2O1)COc1cc(F)cc(Br)c1 ZINC000576692888 655450856 /nfs/dbraw/zinc/45/08/56/655450856.db2.gz PLAHLLVIPLNVQG-RDJZCZTQSA-N 1 0 396.256 2.921 20 0 GFADRO C[NH+](C)[C@H]1CCCN(C(=O)C(=O)N[C@@H]2CCSc3ccc(Cl)cc32)C1 ZINC000576894475 655454140 /nfs/dbraw/zinc/45/41/40/655454140.db2.gz NKUNVKTXVICCDT-DZGCQCFKSA-N 1 0 381.929 2.546 20 0 GFADRO Cn1nc(Br)c2c1ncnc2NC[C@H](c1ccsc1)[NH+](C)C ZINC000263966818 655455198 /nfs/dbraw/zinc/45/51/98/655455198.db2.gz SLQIHSGLLQYHQX-SNVBAGLBSA-N 1 0 381.303 2.902 20 0 GFADRO COc1ccc(COCC[NH2+][C@H](C)Cn2cc(Br)ccc2=O)cc1 ZINC000577421149 655459206 /nfs/dbraw/zinc/45/92/06/655459206.db2.gz KAFDCSYBWAIWQY-CQSZACIVSA-N 1 0 395.297 2.814 20 0 GFADRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)CCNC(=O)Nc1ccc(Br)cc1 ZINC000577498547 655460990 /nfs/dbraw/zinc/46/09/90/655460990.db2.gz JWTYPUSQVFQWGM-HNNXBMFYSA-N 1 0 397.317 2.513 20 0 GFADRO CS(=O)(=O)c1cc(NC(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)ccc1Cl ZINC000577590656 655462802 /nfs/dbraw/zinc/46/28/02/655462802.db2.gz QOSOSNZDUHBUSL-CHWSQXEVSA-N 1 0 385.917 2.597 20 0 GFADRO C[C@@H]1CCN(Cc2csc(-c3ccc(S(C)(=O)=O)cc3)n2)C[C@H]1C[NH3+] ZINC000577638196 655463503 /nfs/dbraw/zinc/46/35/03/655463503.db2.gz PSOBRDTZBZUIIA-UKRRQHHQSA-N 1 0 379.551 2.630 20 0 GFADRO COc1ccc(Br)cc1C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000577916101 655469302 /nfs/dbraw/zinc/46/93/02/655469302.db2.gz UNHPMICWEFTSPI-CYBMUJFWSA-N 1 0 385.302 2.688 20 0 GFADRO Cc1ccc(Cl)c(OC[C@@H](O)C[NH2+]C[C@@H]2CCN(CC(F)(F)F)C2)c1 ZINC000577947684 655470070 /nfs/dbraw/zinc/47/00/70/655470070.db2.gz TXONNPOYCMVTJJ-KBPBESRZSA-N 1 0 380.838 2.862 20 0 GFADRO CN(C)S(=O)(=O)N1CCC[C@@H]([NH2+]CCCc2c(Cl)cccc2Cl)C1 ZINC000577957744 655470387 /nfs/dbraw/zinc/47/03/87/655470387.db2.gz GOBLKUFOSVAUQR-CYBMUJFWSA-N 1 0 394.368 2.786 20 0 GFADRO C[C@@H]1CC[C@@H]([NH2+]CC(=O)Nc2cccc(Br)c2)[C@H](n2cncn2)C1 ZINC000577965113 655470514 /nfs/dbraw/zinc/47/05/14/655470514.db2.gz PQPMTMDHDPXEEF-DAXOMENPSA-N 1 0 392.301 2.999 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CC[NH2+]Cc1cnc(N(C)C)nc1 ZINC000264967221 655474921 /nfs/dbraw/zinc/47/49/21/655474921.db2.gz PQMUPXDDVVRQHC-UHFFFAOYSA-N 1 0 392.301 2.732 20 0 GFADRO COc1c(Cl)cc(NC(=O)C(=O)NCCC2CC[NH+](C)CC2)cc1Cl ZINC000265488795 655484446 /nfs/dbraw/zinc/48/44/46/655484446.db2.gz AZFZVRADLXPRMC-UHFFFAOYSA-N 1 0 388.295 2.789 20 0 GFADRO O=S(=O)(Cc1cc(Cl)ccc1Br)NCC1CC[NH2+]CC1 ZINC000578768829 655486552 /nfs/dbraw/zinc/48/65/52/655486552.db2.gz VQXUQYSOMYZFLI-UHFFFAOYSA-N 1 0 381.723 2.522 20 0 GFADRO CC(C)[C@H](C(=O)N1CCN(Cc2ccc(Br)s2)CC1)[C@@H](C)[NH3+] ZINC000578864135 655488200 /nfs/dbraw/zinc/48/82/00/655488200.db2.gz ZOTNNZGKPMQVGP-DOMZBBRYSA-N 1 0 388.375 2.774 20 0 GFADRO COc1cc(NC(=O)CC[NH2+]CC[C@H](O)C(F)(F)F)c(OC)cc1Cl ZINC000578868000 655488249 /nfs/dbraw/zinc/48/82/49/655488249.db2.gz KVEHELSPSIVSRH-ZDUSSCGKSA-N 1 0 384.782 2.589 20 0 GFADRO C[C@@H](NC(=O)CSc1ccccc1Cl)C(=O)NCC[NH+]1CCCCC1 ZINC000578876317 655488357 /nfs/dbraw/zinc/48/83/57/655488357.db2.gz PLKVNGHEWABRJY-CQSZACIVSA-N 1 0 383.945 2.539 20 0 GFADRO C[C@@H](O)C[N@@H+]1CCN(Cc2cnn(-c3ccc(Br)cc3)c2)[C@@H](C)C1 ZINC000579032314 655492169 /nfs/dbraw/zinc/49/21/69/655492169.db2.gz COHJHTSCAIQNON-LSDHHAIUSA-N 1 0 393.329 2.522 20 0 GFADRO CC[C@H]([NH2+][C@@H]1CCS(=O)(=O)c2ccc(Br)cc21)C(C)(C)O ZINC000579247995 655496650 /nfs/dbraw/zinc/49/66/50/655496650.db2.gz VMLXYSIRUXEWIV-OCCSQVGLSA-N 1 0 376.316 2.807 20 0 GFADRO C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)c1cnc(Sc2nccn2C)c(Cl)c1 ZINC000579359453 655498190 /nfs/dbraw/zinc/49/81/90/655498190.db2.gz NJUIWCQVHHUTIS-GYSYKLTISA-N 1 0 379.917 2.736 20 0 GFADRO C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)c1cnc(Sc2nccn2C)c(Cl)c1 ZINC000579359456 655498265 /nfs/dbraw/zinc/49/82/65/655498265.db2.gz NJUIWCQVHHUTIS-JTNHKYCSSA-N 1 0 379.917 2.736 20 0 GFADRO C[NH+]1CCC(n2ccc(NC(=O)c3cc(F)c(F)cc3Br)n2)CC1 ZINC000579425634 655499407 /nfs/dbraw/zinc/49/94/07/655499407.db2.gz LPYUPYBMTLZVMR-UHFFFAOYSA-N 1 0 399.239 3.443 20 0 GFADRO C[C@@H](Oc1ccc(Cl)cc1Cl)[C@H](C)[NH2+]C[C@H]1CS(=O)(=O)CCO1 ZINC000579506183 655500546 /nfs/dbraw/zinc/50/05/46/655500546.db2.gz NNXNDDWFDSPLJF-LOWVWBTDSA-N 1 0 382.309 2.552 20 0 GFADRO O=C(C[NH+]1CCC(c2cccc(Br)c2)CC1)NC(=O)NC1CC1 ZINC000579550128 655501360 /nfs/dbraw/zinc/50/13/60/655501360.db2.gz ZGVHMKSLBQEHSD-UHFFFAOYSA-N 1 0 380.286 2.617 20 0 GFADRO COCC1(CNC(=O)NCCOc2cccc(Cl)c2Cl)CC[NH2+]CC1 ZINC000579571651 655501668 /nfs/dbraw/zinc/50/16/68/655501668.db2.gz NGHRLHVPHYCMFW-UHFFFAOYSA-N 1 0 390.311 2.688 20 0 GFADRO O[C@H](C[NH2+]C[C@@H](O)Cc1ccc(F)cc1)COc1ccccc1Br ZINC000579712675 655502905 /nfs/dbraw/zinc/50/29/05/655502905.db2.gz WXNLWKPPPYHILG-JKSUJKDBSA-N 1 0 398.272 2.521 20 0 GFADRO NC(=O)c1cccc(CC[NH2+]C[C@@H](O)COc2cc(Cl)ccc2Cl)c1 ZINC000579823935 655504324 /nfs/dbraw/zinc/50/43/24/655504324.db2.gz NHCIALSJZAXHFG-OAHLLOKOSA-N 1 0 383.275 2.664 20 0 GFADRO O=C(NCC[NH2+]C1CCCCCC1)c1cnn2cc(Br)cnc12 ZINC000579823511 655504344 /nfs/dbraw/zinc/50/43/44/655504344.db2.gz UOOMGMAXFZLKPS-UHFFFAOYSA-N 1 0 380.290 2.534 20 0 GFADRO COc1sc(CN2C[C@H](C[NH3+])C3(C2)CCOCC3)cc1Br ZINC000580192299 655509757 /nfs/dbraw/zinc/50/97/57/655509757.db2.gz IQOWXUMTZBYHPZ-NSHDSACASA-N 1 0 375.332 2.707 20 0 GFADRO C[NH+](C)C[C@H](NC(=O)[C@H]1CS[C@]2(C)CCC(=O)N12)c1ccc(Cl)cc1 ZINC000580200534 655510059 /nfs/dbraw/zinc/51/00/59/655510059.db2.gz XHIXLEQDXSDCRD-HDMKZQKVSA-N 1 0 381.929 2.513 20 0 GFADRO C[C@H](CNC(=O)OC(C)(C)C)C[NH2+]Cc1c(Cl)cccc1S(C)(=O)=O ZINC000700469799 655521509 /nfs/dbraw/zinc/52/15/09/655521509.db2.gz SVMOQBJZZDIHBN-LBPRGKRZSA-N 1 0 390.933 2.994 20 0 GFADRO Cn1cc(CNC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)c(Br)n1 ZINC000712476706 655522733 /nfs/dbraw/zinc/52/27/33/655522733.db2.gz WMEJMVHVNBKBGT-KRWDZBQOSA-N 1 0 393.329 2.563 20 0 GFADRO C[C@H](CCCNC(=O)OC(C)(C)C)[NH2+]Cc1cn(C)nc1Br ZINC000720656233 655524654 /nfs/dbraw/zinc/52/46/54/655524654.db2.gz KWSWKCWATUAURA-LLVKDONJSA-N 1 0 375.311 2.966 20 0 GFADRO Brc1cncc(Br)c1C[NH2+]C[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000724565336 655525697 /nfs/dbraw/zinc/52/56/97/655525697.db2.gz BRUWJJVMJUXPJG-ZDMBXUJBSA-N 1 0 392.091 2.500 20 0 GFADRO C[NH+](C)CC(C)(C)CNC(=S)NNc1ccc(F)cc1Br ZINC000727073321 655541402 /nfs/dbraw/zinc/54/14/02/655541402.db2.gz LNIQXQPHHCVFLL-UHFFFAOYSA-N 1 0 377.327 2.967 20 0 GFADRO C[NH+](C)CC(C)(C)CNC(=S)NC[C@@H](O)c1ccccc1C(F)(F)F ZINC000727085267 655541794 /nfs/dbraw/zinc/54/17/94/655541794.db2.gz QECZSRHFCRYKFO-CQSZACIVSA-N 1 0 377.476 2.791 20 0 GFADRO O=S(=O)(/C=C\c1cccc(Br)c1)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000727453314 655545648 /nfs/dbraw/zinc/54/56/48/655545648.db2.gz TZJZETSKLZYHSJ-BMEWNCGWSA-N 1 0 385.327 2.966 20 0 GFADRO C[NH+]1CCC(NC(=S)N[C@@H]2CCN(c3ccc(Br)cc3)C2)CC1 ZINC000728452449 655555719 /nfs/dbraw/zinc/55/57/19/655555719.db2.gz ULSUCEBESSTZCF-OAHLLOKOSA-N 1 0 397.386 2.586 20 0 GFADRO O=S(=O)(c1c(Cl)nc2sccn21)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000728587626 655557507 /nfs/dbraw/zinc/55/75/07/655557507.db2.gz ARLBYQWGUKHAEX-LBPRGKRZSA-N 1 0 388.946 2.688 20 0 GFADRO CS(=O)(=O)Cc1ccc(C[NH2+]C[C@@H](O)c2ccc(Br)cc2)cc1 ZINC000728942725 655560431 /nfs/dbraw/zinc/56/04/31/655560431.db2.gz OFIDAENPTMYPJO-QGZVFWFLSA-N 1 0 398.322 2.817 20 0 GFADRO CCOc1ccc(Br)cc1NC(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000729568869 655565844 /nfs/dbraw/zinc/56/58/44/655565844.db2.gz GMAQNHGMFFOXDO-KGLIPLIRSA-N 1 0 398.301 2.833 20 0 GFADRO CN(C[C@H](O)c1cccc(Br)c1)C(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000840390632 661160077 /nfs/dbraw/zinc/16/00/77/661160077.db2.gz JKLPBPWSFHHEJH-PBHICJAKSA-N 1 0 398.345 2.856 20 0 GFADRO COCCN(CC[NH+](C)C)C(=S)NCCSc1ccc(Cl)cc1 ZINC000729645212 655566311 /nfs/dbraw/zinc/56/63/11/655566311.db2.gz UFKIMYBTTWLJNR-UHFFFAOYSA-N 1 0 375.991 2.817 20 0 GFADRO O=C(C[NH2+]Cc1cc2c(c(Br)c1)OCO2)N1CCc2ccccc21 ZINC000729685213 655566706 /nfs/dbraw/zinc/56/67/06/655566706.db2.gz YFRBOAQDPAYIBK-UHFFFAOYSA-N 1 0 389.249 2.857 20 0 GFADRO CC[NH+]1CCC(N(C)C(=O)C[C@](O)(c2nc(C)cs2)C(F)(F)F)CC1 ZINC000729843330 655569095 /nfs/dbraw/zinc/56/90/95/655569095.db2.gz DUSXQYTWASDYRO-HNNXBMFYSA-N 1 0 379.448 2.534 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CNC(=S)NC[C@@H](O)c1cccc(C(F)(F)F)c1 ZINC000730734767 655577617 /nfs/dbraw/zinc/57/76/17/655577617.db2.gz OVFXBGXEYVIIDW-LSDHHAIUSA-N 1 0 375.460 2.687 20 0 GFADRO COC1CC[NH+](C2(CNC(=O)NC[C@@H]3CC3(Cl)Cl)CCCC2)CC1 ZINC000730905862 655579337 /nfs/dbraw/zinc/57/93/37/655579337.db2.gz WJUSDECWQJCFOZ-ZDUSSCGKSA-N 1 0 378.344 2.903 20 0 GFADRO C[Si](C)(C)C[NH+]1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 ZINC000731210565 655582451 /nfs/dbraw/zinc/58/24/51/655582451.db2.gz ROOHPBABOSNRQA-UHFFFAOYSA-N 1 0 380.508 2.889 20 0 GFADRO CCCC[N@H+](C)CCNC(=O)/C=C\c1ccc(I)o1 ZINC000732773236 655601445 /nfs/dbraw/zinc/60/14/45/655601445.db2.gz LIRVEEWZCQEPIG-VURMDHGXSA-N 1 0 376.238 2.746 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CNC(=S)NC[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000735625723 655650218 /nfs/dbraw/zinc/65/02/18/655650218.db2.gz IPRYHBXTKXGJAV-HUUCEWRRSA-N 1 0 376.353 2.975 20 0 GFADRO COc1ccc(C(=O)OC[C@H]2C[N@H+](CC(C)C)CCO2)c(Br)c1 ZINC000735890636 655654695 /nfs/dbraw/zinc/65/46/95/655654695.db2.gz IQJBUNJHOSDPPT-CQSZACIVSA-N 1 0 386.286 2.971 20 0 GFADRO CN(Cc1ccc(C[NH+](C)C)cc1)S(=O)(=O)c1cncc(Br)c1 ZINC000738366779 655689968 /nfs/dbraw/zinc/68/99/68/655689968.db2.gz MGIYZQNWDNYLMT-UHFFFAOYSA-N 1 0 398.326 2.726 20 0 GFADRO C[C@@H]1C[C@H](C)[N@H+](CN2C(=O)N[C@](C)(c3ccc(Br)cc3)C2=O)C1 ZINC000740862586 655699961 /nfs/dbraw/zinc/69/99/61/655699961.db2.gz YHUKBSRRVABSRR-BWACUDIHSA-N 1 0 380.286 2.904 20 0 GFADRO S=C1N=NC(Cc2cccs2)N1CN1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000742171085 655710898 /nfs/dbraw/zinc/71/08/98/655710898.db2.gz NHLSDHRQEYXQKX-HNNXBMFYSA-N 1 0 377.583 2.984 20 0 GFADRO C[C@H]1CCC[N@@H+]1CCNC(=O)c1ccc(F)cc1I ZINC000742237181 655712629 /nfs/dbraw/zinc/71/26/29/655712629.db2.gz JBCNLFJUBNDBOW-JTQLQIEISA-N 1 0 376.213 2.644 20 0 GFADRO COCCC[N@H+](C)CCNS(=O)(=O)c1ccc(SC(F)(F)F)cc1 ZINC000742313449 655715293 /nfs/dbraw/zinc/71/52/93/655715293.db2.gz OSQKGMXYHVUYRM-UHFFFAOYSA-N 1 0 386.461 2.545 20 0 GFADRO CC(C)[N@@H+]1CC[C@H](CNC(=O)/C=C\c2ccc(I)o2)C1 ZINC000742841740 655722550 /nfs/dbraw/zinc/72/25/50/655722550.db2.gz WHFLDSKYKQIVLL-TXNVCOODSA-N 1 0 388.249 2.744 20 0 GFADRO O=S(=O)(CC[NH2+][C@H]1CCC[C@@H](c2cccc(Cl)c2)C1)N1CCOCC1 ZINC000840728208 661179519 /nfs/dbraw/zinc/17/95/19/661179519.db2.gz UWGXCJZOYMHXAR-AEFFLSMTSA-N 1 0 386.945 2.618 20 0 GFADRO Cc1cc(Br)ccc1C(=O)OCC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000744822065 655745609 /nfs/dbraw/zinc/74/56/09/655745609.db2.gz MIOARXBIBSMPBT-UHFFFAOYSA-N 1 0 397.313 2.903 20 0 GFADRO C[NH+](C)[C@@]1(CNC(=O)NC[C@@H](O)c2ccc(Cl)cc2Cl)CCSC1 ZINC000748648398 655793279 /nfs/dbraw/zinc/79/32/79/655793279.db2.gz VBZBLAVOOYCDPL-GDBMZVCRSA-N 1 0 392.352 2.763 20 0 GFADRO C[NH+](C)CCCNC(=S)NCc1cc(Br)ccc1OC(F)F ZINC000749782923 655807353 /nfs/dbraw/zinc/80/73/53/655807353.db2.gz DYTZETMZJSBYGF-UHFFFAOYSA-N 1 0 396.301 2.966 20 0 GFADRO CS(=O)(=O)c1ccc(C[NH2+][C@H]2CCN(c3cccc(Cl)c3)C2=O)cc1 ZINC000749883523 655808661 /nfs/dbraw/zinc/80/86/61/655808661.db2.gz MNBXKTLRUHELJB-KRWDZBQOSA-N 1 0 378.881 2.639 20 0 GFADRO CN(C(=O)CCCC[NH+]1CCCC1)[C@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000750447228 655814315 /nfs/dbraw/zinc/81/43/15/655814315.db2.gz VRYMSSSRPHRKNS-INIZCTEOSA-N 1 0 384.929 2.893 20 0 GFADRO Cn1c(Cl)nc(Cl)c1C[NH2+]C[C@@H](c1cccs1)N1CCN(C)CC1 ZINC000752254206 655841580 /nfs/dbraw/zinc/84/15/80/655841580.db2.gz PYWHMPUMDFBPSP-LBPRGKRZSA-N 1 0 388.368 2.867 20 0 GFADRO C[NH+](C)CC(C)(C)CNC(=S)NC[C@@H](O)c1ccccc1Br ZINC000840834035 661193673 /nfs/dbraw/zinc/19/36/73/661193673.db2.gz VFWDNPAOFPGREW-CQSZACIVSA-N 1 0 388.375 2.534 20 0 GFADRO CSCCNC(=S)NCCCC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000752736433 655846114 /nfs/dbraw/zinc/84/61/14/655846114.db2.gz XEVLIKFFBFGFAY-UHFFFAOYSA-N 1 0 380.627 2.724 20 0 GFADRO CCCC[N@H+](C)C[C@H](C)NC(=O)COc1ccc(C=O)cc1Br ZINC000752933003 655848584 /nfs/dbraw/zinc/84/85/84/655848584.db2.gz SLNWUOPWQPOTFC-ZDUSSCGKSA-N 1 0 385.302 2.877 20 0 GFADRO COC(=O)[C@H]1CN(C(=S)Nc2ccc(Cl)cc2Cl)CC[N@H+](C)C1 ZINC000840854842 661195933 /nfs/dbraw/zinc/19/59/33/661195933.db2.gz GTFJFWPIIRMICB-SNVBAGLBSA-N 1 0 376.309 2.727 20 0 GFADRO OC[C@@H](C[C@@H](O)c1ccccc1)[NH2+]Cc1cnc2ccc(Br)cn12 ZINC000754079960 655863452 /nfs/dbraw/zinc/86/34/52/655863452.db2.gz MQWKCUJUNCGCQE-NVXWUHKLSA-N 1 0 390.281 2.671 20 0 GFADRO CC(C)S(=O)(=O)CCC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000754311691 655866213 /nfs/dbraw/zinc/86/62/13/655866213.db2.gz HCLSGOCNYDMPND-HOTGVXAUSA-N 1 0 376.563 2.825 20 0 GFADRO Cc1cc(NC(=O)c2scnc2Br)n(C2CC[NH+](C)CC2)n1 ZINC000754345110 655866634 /nfs/dbraw/zinc/86/66/34/655866634.db2.gz WBGGOZSHBPCTHW-UHFFFAOYSA-N 1 0 384.303 2.930 20 0 GFADRO COC(=O)C[C@H]([NH2+][C@H](C)C(=O)N(C)Cc1ccc(Br)cc1)C1CC1 ZINC000754517659 655869071 /nfs/dbraw/zinc/86/90/71/655869071.db2.gz LMHXHHFRCAHDPT-WBMJQRKESA-N 1 0 397.313 2.727 20 0 GFADRO COC(=O)C[C@@H]([NH2+]CCS(=O)(=O)c1cc(Cl)ccc1Cl)C1CC1 ZINC000754542570 655869423 /nfs/dbraw/zinc/86/94/23/655869423.db2.gz VVQJRGGYJMENQD-CYBMUJFWSA-N 1 0 380.293 2.698 20 0 GFADRO Cc1ccc([C@H](C)[NH2+]CC(=O)N(C2CCCC2)[C@@H]2CCS(=O)(=O)C2)s1 ZINC000754670856 655871123 /nfs/dbraw/zinc/87/11/23/655871123.db2.gz OXUIZJPLWZOVFG-GOEBONIOSA-N 1 0 384.567 2.665 20 0 GFADRO C[C@H]([NH2+]CCC(C)(C)S(C)(=O)=O)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000840875009 661197548 /nfs/dbraw/zinc/19/75/48/661197548.db2.gz BTQVEDKTAZNALS-NSHDSACASA-N 1 0 383.482 2.547 20 0 GFADRO COC(=O)C1=C(C)O[C@@H](C[N@H+](CCO)Cc2cc(Br)cs2)C1 ZINC000755182415 655881027 /nfs/dbraw/zinc/88/10/27/655881027.db2.gz ZYMXEGOQUZNMBD-GFCCVEGCSA-N 1 0 390.299 2.541 20 0 GFADRO Cc1ccc(-n2nc(Br)cc2C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000755236196 655881441 /nfs/dbraw/zinc/88/14/41/655881441.db2.gz ZVRPBHFIMZBCTJ-ZDUSSCGKSA-N 1 0 389.297 2.910 20 0 GFADRO CCOC(=O)C(F)(F)[C@H]1CCC[C@H]([NH2+]CC2(CS(C)(=O)=O)CCC2)C1 ZINC000840891731 661199868 /nfs/dbraw/zinc/19/98/68/661199868.db2.gz ZXPNOVRMGRJLQX-KBPBESRZSA-N 1 0 381.485 2.548 20 0 GFADRO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1cccnc1I ZINC000757700492 655915455 /nfs/dbraw/zinc/91/54/55/655915455.db2.gz CRBYWBJZIDFITL-LBPRGKRZSA-N 1 0 387.265 2.681 20 0 GFADRO CC[C@H](CNC(=O)c1cc(Br)nn1C)[N@@H+]1CCc2ccccc2C1 ZINC000757834369 655917351 /nfs/dbraw/zinc/91/73/51/655917351.db2.gz OLUSDGCOLDYIRQ-OAHLLOKOSA-N 1 0 391.313 2.749 20 0 GFADRO Cn1nc(Br)cc1C(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000757984589 655920746 /nfs/dbraw/zinc/92/07/46/655920746.db2.gz GVJBYVWDPMITTH-ZDUSSCGKSA-N 1 0 385.693 2.869 20 0 GFADRO C[N@@H+]1CCC[C@H](NC(=O)Nc2cnc(Br)c(Br)c2)C1 ZINC000758274946 655928282 /nfs/dbraw/zinc/92/82/82/655928282.db2.gz XXGPQRACKLKEIP-QMMMGPOBSA-N 1 0 392.095 2.822 20 0 GFADRO C[C@@H](C[C@H](O)c1ccc(F)cc1)[NH2+]Cc1ccc(S(N)(=O)=O)c(Cl)c1 ZINC000840906278 661204587 /nfs/dbraw/zinc/20/45/87/661204587.db2.gz FMKPJCBABVPBBW-ZBEGNZNMSA-N 1 0 386.876 2.728 20 0 GFADRO C[C@@H](CNC(=O)c1ccc(Br)cc1-n1cncn1)[NH+]1CCCCC1 ZINC000758583388 655936481 /nfs/dbraw/zinc/93/64/81/655936481.db2.gz UPVFZZOYOCBMQX-ZDUSSCGKSA-N 1 0 392.301 2.634 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+]CC2([C@@H](O)c3ccccc3)CC2)cc1Cl ZINC000840908129 661205286 /nfs/dbraw/zinc/20/52/86/661205286.db2.gz UOJIHIXSNMHFBH-KRWDZBQOSA-N 1 0 380.897 2.591 20 0 GFADRO O[C@H](C[NH2+]C[C@@]1(N2CCOCC2)CCSC1)c1ccc(Cl)cc1Cl ZINC000759064122 655946275 /nfs/dbraw/zinc/94/62/75/655946275.db2.gz CZQOGRYYBMMFHD-SJORKVTESA-N 1 0 391.364 2.824 20 0 GFADRO C[NH+]1CCC(CNC(=S)NCCNc2ncc(Cl)cc2Cl)CC1 ZINC000760468189 655981712 /nfs/dbraw/zinc/98/17/12/655981712.db2.gz QQDDDDLZVYXIPU-UHFFFAOYSA-N 1 0 376.357 2.606 20 0 GFADRO CC(C)c1ccc(NC(=S)NNC(=S)NCC2CC[NH+](C)CC2)cc1 ZINC000760466652 655981734 /nfs/dbraw/zinc/98/17/34/655981734.db2.gz RVQNOOGLOBLPKN-UHFFFAOYSA-N 1 0 379.599 2.817 20 0 GFADRO CC(C)S(=O)(=O)Cc1cccc(NC(=S)NCC2CC[NH+](C)CC2)c1 ZINC000760483215 655982260 /nfs/dbraw/zinc/98/22/60/655982260.db2.gz IAMPWQKFMMCKHT-UHFFFAOYSA-N 1 0 383.583 2.638 20 0 GFADRO C[NH+]1CCC(CNC(=S)NC[C@@H](O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000760492097 655982541 /nfs/dbraw/zinc/98/25/41/655982541.db2.gz GBNTVUUJBBITNO-OAHLLOKOSA-N 1 0 376.353 2.833 20 0 GFADRO C[NH+]1CCC(CNC(=S)NC[C@@H](O)c2c(Cl)cccc2Cl)CC1 ZINC000760491135 655982562 /nfs/dbraw/zinc/98/25/62/655982562.db2.gz AGTZYDOWTBTQNS-CQSZACIVSA-N 1 0 376.353 2.833 20 0 GFADRO C[C@@]1(c2cccc(Br)c2)NC(=O)N(C[C@@H]2CC[N@@H+](C3CC3)C2)C1=O ZINC000761088715 655998102 /nfs/dbraw/zinc/99/81/02/655998102.db2.gz VNYPYZODGSIRNU-XIKOKIGWSA-N 1 0 392.297 2.700 20 0 GFADRO C[C@H](CN1C(=O)N[C@H](c2ccc(Br)cc2)C1=O)[NH+]1CCCCC1 ZINC000761116632 655998716 /nfs/dbraw/zinc/99/87/16/655998716.db2.gz BLVCQJIANVSFIX-IUODEOHRSA-N 1 0 380.286 2.916 20 0 GFADRO CCN(C(=O)c1cnn(C)c1Br)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000761177552 656002280 /nfs/dbraw/zinc/00/22/80/656002280.db2.gz NHCAWBUEGBVVOF-OAHLLOKOSA-N 1 0 391.313 2.919 20 0 GFADRO C[C@@H]1C[C@H](N2C(=O)CN(Cc3cccc(Br)c3)C2=O)C[N@@H+]1C1CC1 ZINC000762097438 656031115 /nfs/dbraw/zinc/03/11/15/656031115.db2.gz TUQJDQQJBPEZTP-WBMJQRKESA-N 1 0 392.297 2.839 20 0 GFADRO C[C@H](C1=CC[N@H+](C)CC1)N1C(=O)CN(Cc2cccc(Br)c2)C1=O ZINC000762318808 656038979 /nfs/dbraw/zinc/03/89/79/656038979.db2.gz YTYQWEXPOZTUEQ-CYBMUJFWSA-N 1 0 392.297 2.864 20 0 GFADRO C[C@H]1C[N@H+](CCCNC(=O)c2sc(N3CCCC3)nc2Cl)CCCO1 ZINC000762614505 656051344 /nfs/dbraw/zinc/05/13/44/656051344.db2.gz QECNPDSGTIXJQR-ZDUSSCGKSA-N 1 0 386.949 2.627 20 0 GFADRO Cc1sc(Cl)nc1C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000762897937 656063050 /nfs/dbraw/zinc/06/30/50/656063050.db2.gz JCBRBWBCZRPCKV-HUUCEWRRSA-N 1 0 379.913 2.718 20 0 GFADRO COCCOC[C@@H](C)[NH2+][C@H]1CCN(c2ccc(Br)c(C)c2)C1=O ZINC000764940993 656123953 /nfs/dbraw/zinc/12/39/53/656123953.db2.gz RXSDTUCCLBHRSS-CJNGLKHVSA-N 1 0 385.302 2.504 20 0 GFADRO O=C(Nc1cc2c(cc1Br)OCCO2)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000841013950 661227131 /nfs/dbraw/zinc/22/71/31/661227131.db2.gz BSIAYCPIWHLKIR-QGZVFWFLSA-N 1 0 396.285 2.828 20 0 GFADRO C[C@@H]1CCN(C(=O)Nc2cc3c(cc2Br)OCCO3)C[C@H]1C[NH3+] ZINC000841015968 661227799 /nfs/dbraw/zinc/22/77/99/661227799.db2.gz QBEHTTKXPRTRDJ-GHMZBOCLSA-N 1 0 384.274 2.669 20 0 GFADRO COC(=O)N1CCC[C@H]([NH2+][C@H](C)CC(=O)Nc2ccc(Br)cc2)C1 ZINC000765633848 656146472 /nfs/dbraw/zinc/14/64/72/656146472.db2.gz LEKQWLUNDUYOLT-DOMZBBRYSA-N 1 0 398.301 2.987 20 0 GFADRO CC[N@@H+]1C[C@H](C)N(C(=O)c2cn(-c3ccccc3Br)nn2)C[C@H]1C ZINC000765934074 656155575 /nfs/dbraw/zinc/15/55/75/656155575.db2.gz XWHZJVWVJWPZFQ-OLZOCXBDSA-N 1 0 392.301 2.585 20 0 GFADRO COCCOC[C@H](C)[NH2+][C@H]1CCCN(c2ccc(Br)c(C)c2)C1=O ZINC000766039768 656158216 /nfs/dbraw/zinc/15/82/16/656158216.db2.gz WCTUJMAOGVVNLH-YOEHRIQHSA-N 1 0 399.329 2.894 20 0 GFADRO [NH3+][C@@H]1CCO[C@@H](C2CCN(Cc3nc4ccccn4c3Br)CC2)C1 ZINC000841104915 661233746 /nfs/dbraw/zinc/23/37/46/661233746.db2.gz WPQCURFULUJETO-GDBMZVCRSA-N 1 0 393.329 2.815 20 0 GFADRO CC[NH2+]Cc1cccc(NC(=O)C(=O)N2CC[C@@]3(C)[C@@H](C2)C3(Cl)Cl)c1 ZINC000841125409 661235502 /nfs/dbraw/zinc/23/55/02/661235502.db2.gz LCNCRMOTBLMTRD-PBHICJAKSA-N 1 0 384.307 2.777 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)Nc2cnc(Br)c(Br)c2)CC[NH2+]1 ZINC000841141761 661237164 /nfs/dbraw/zinc/23/71/64/661237164.db2.gz KIROUTFOEVFSGA-HTQZYQBOSA-N 1 0 392.095 2.869 20 0 GFADRO COc1cc(S(=O)(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)cnc1Cl ZINC000767721809 656216644 /nfs/dbraw/zinc/21/66/44/656216644.db2.gz IGPSHJPYICWMAS-GFCCVEGCSA-N 1 0 375.922 2.532 20 0 GFADRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2Cn2nnn(-c3ccc(Cl)cc3)c2=S)C1 ZINC000768501984 656240491 /nfs/dbraw/zinc/24/04/91/656240491.db2.gz JUZINUZNWBSMEX-XJKSGUPXSA-N 1 0 378.933 2.825 20 0 GFADRO C[NH2+]C[C@H]1CCN(C(=O)C(=O)Nc2ccc3cc(Br)ccc3c2)C1 ZINC000841171825 661241181 /nfs/dbraw/zinc/24/11/81/661241181.db2.gz YTFOPVGCAAZKPD-GFCCVEGCSA-N 1 0 390.281 2.609 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)Nc2ccc3cc(Br)ccc3c2)C1 ZINC000841208839 661244268 /nfs/dbraw/zinc/24/42/68/661244268.db2.gz UCCOYKZGAMLGGN-SMDDNHRTSA-N 1 0 390.281 2.737 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)Nc2ccc3cc(Br)ccc3c2)C1 ZINC000841208834 661244314 /nfs/dbraw/zinc/24/43/14/661244314.db2.gz UCCOYKZGAMLGGN-FZMZJTMJSA-N 1 0 390.281 2.737 20 0 GFADRO O=C(c1ccc(Br)nc1)N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000769277474 656268974 /nfs/dbraw/zinc/26/89/74/656268974.db2.gz TYKYSADPXLMPDK-OAHLLOKOSA-N 1 0 382.302 2.561 20 0 GFADRO CC[NH+](CC)CC1CCN(C(=O)c2nccn3c(Br)cnc23)CC1 ZINC000769738412 656288487 /nfs/dbraw/zinc/28/84/87/656288487.db2.gz KZMUHJKKVJTUOL-UHFFFAOYSA-N 1 0 394.317 2.686 20 0 GFADRO C[C@H]([NH3+])[C@H](C)NC(=O)C(=O)Nc1ccccc1SC[C@H]1CC1(Cl)Cl ZINC000841258624 661250216 /nfs/dbraw/zinc/25/02/16/661250216.db2.gz YTWVPNSPVQEHPR-GARJFASQSA-N 1 0 390.336 2.763 20 0 GFADRO COC(=O)C[C@@]1([NH2+]CC(=O)Nc2cc(Cl)ccc2Cl)CCCOC1 ZINC000770711343 656327900 /nfs/dbraw/zinc/32/79/00/656327900.db2.gz UVBTUSBAASLJSE-INIZCTEOSA-N 1 0 375.252 2.634 20 0 GFADRO O=C(Nc1cccc(Cl)c1SC(F)F)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000841296953 661251600 /nfs/dbraw/zinc/25/16/00/661251600.db2.gz KGPUPJIMSNATKM-VIFPVBQESA-N 1 0 377.844 2.852 20 0 GFADRO O=C(NC[C@@H](O)c1ccccc1Br)Nc1cccc2c1CC[NH2+]C2 ZINC000841309651 661251738 /nfs/dbraw/zinc/25/17/38/661251738.db2.gz ZCAVQHOPKZWDPR-QGZVFWFLSA-N 1 0 390.281 2.950 20 0 GFADRO Cc1cc(Br)ncc1NC(=O)NC(C)(C)CC[NH+]1CCN(C)CC1 ZINC000771174036 656342106 /nfs/dbraw/zinc/34/21/06/656342106.db2.gz FCAMVDTXOFGVLZ-UHFFFAOYSA-N 1 0 398.349 2.690 20 0 GFADRO [NH3+]CC[C@@H](NC(=O)N1CCC(Oc2ccc(Cl)cn2)CC1)C(F)(F)F ZINC000841335799 661252990 /nfs/dbraw/zinc/25/29/90/661252990.db2.gz VEHQOTIYXUTLKD-GFCCVEGCSA-N 1 0 380.798 2.568 20 0 GFADRO O=C(NCCCC[NH+]1CCN(c2ccccc2)CC1)C1SCCCS1 ZINC000841382697 661256879 /nfs/dbraw/zinc/25/68/79/661256879.db2.gz VQUUHAFPGCPGAJ-UHFFFAOYSA-N 1 0 379.595 2.901 20 0 GFADRO CC[N@@H+]1CC[C@@H](CNC(=O)c2cc(=O)c3cc(Br)ccc3o2)C1 ZINC000841383993 661257118 /nfs/dbraw/zinc/25/71/18/661257118.db2.gz RKUBBCODKOKCBS-NSHDSACASA-N 1 0 379.254 2.627 20 0 GFADRO C[C@@H](CNS(=O)(=O)c1ccc2nc(Cl)cnc2c1)[N@@H+]1CCCC[C@@H]1C ZINC000772919230 656393459 /nfs/dbraw/zinc/39/34/59/656393459.db2.gz KXWLQOTXVZLZMF-STQMWFEESA-N 1 0 382.917 2.824 20 0 GFADRO COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]CCS(=O)(=O)C(C)(C)C ZINC000772977472 656395996 /nfs/dbraw/zinc/39/59/96/656395996.db2.gz AKCBNBVCSYHDLH-LBPRGKRZSA-N 1 0 390.933 2.869 20 0 GFADRO O=S(=O)(CC[NH2+]C1CCN(Cc2c(F)cccc2Cl)CC1)CC1CC1 ZINC000773067299 656398536 /nfs/dbraw/zinc/39/85/36/656398536.db2.gz VHOIKTJJFRMJDV-UHFFFAOYSA-N 1 0 388.936 2.858 20 0 GFADRO C[C@H](C[C@H]1CCOC1)[NH2+]CCOc1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000773128086 656400611 /nfs/dbraw/zinc/40/06/11/656400611.db2.gz ADOREUBTHBAGSB-CHWSQXEVSA-N 1 0 381.416 2.764 20 0 GFADRO O=S(=O)(CC[NH2+][C@@H](c1ccc(Cl)c(Cl)c1)C1CC1)N1CCOCC1 ZINC000774428084 656527524 /nfs/dbraw/zinc/52/75/24/656527524.db2.gz BYXQEPSOOVYLNY-MRXNPFEDSA-N 1 0 393.336 2.696 20 0 GFADRO NC(=NOCc1ncc(Cl)s1)c1ccccc1C[NH+]1CCC(O)CC1 ZINC000774760523 656553428 /nfs/dbraw/zinc/55/34/28/656553428.db2.gz PFVJUYSTZXXJRF-UHFFFAOYSA-N 1 0 380.901 2.800 20 0 GFADRO O=S1(=O)CCC(C[NH2+]Cc2nc3ccc(Br)cc3s2)CC1 ZINC000775000800 656583724 /nfs/dbraw/zinc/58/37/24/656583724.db2.gz YTPBWYJILCCSLG-UHFFFAOYSA-N 1 0 389.340 2.973 20 0 GFADRO CCNS(=O)(=O)CC[NH2+][C@H]1c2cc(Br)ccc2SC[C@H]1C ZINC000775407894 656637310 /nfs/dbraw/zinc/63/73/10/656637310.db2.gz QWYIQPACNJMKGL-QMTHXVAHSA-N 1 0 393.372 2.761 20 0 GFADRO O=C(NCC(F)(F)F)C1CC[NH+](C[C@@H](O)c2ccc(F)cc2Cl)CC1 ZINC000775559305 656649004 /nfs/dbraw/zinc/64/90/04/656649004.db2.gz VIZXKHZOOZNLMJ-CQSZACIVSA-N 1 0 382.785 2.903 20 0 GFADRO COC(=O)N1CCC[C@H]([C@@H](C)[NH2+]C[C@@H](O)c2ccccc2Br)C1 ZINC000775815823 656682066 /nfs/dbraw/zinc/68/20/66/656682066.db2.gz NDZQKEUPVSYRDY-DVOMOZLQSA-N 1 0 385.302 2.939 20 0 GFADRO CS[C@@H]1CN(C(=O)c2scnc2Br)C[C@@H]1[NH+]1CCCC1 ZINC000776211868 656720733 /nfs/dbraw/zinc/72/07/33/656720733.db2.gz PNTDQODURGRJLE-VHSXEESVSA-N 1 0 376.345 2.557 20 0 GFADRO Cc1ccccc1C[NH+]1CCC(NC(=O)COC(=O)C(C)(Cl)Cl)CC1 ZINC000777223628 656814784 /nfs/dbraw/zinc/81/47/84/656814784.db2.gz BWNKPBBYJXBOIP-UHFFFAOYSA-N 1 0 387.307 2.813 20 0 GFADRO O=C1[C@H]2CSCN2C(=O)N1CC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000777642352 656831230 /nfs/dbraw/zinc/83/12/30/656831230.db2.gz WEAHOSADMWGSTM-MRXNPFEDSA-N 1 0 379.913 2.889 20 0 GFADRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)c1cc(Br)ncc1Cl ZINC000779769188 656942068 /nfs/dbraw/zinc/94/20/68/656942068.db2.gz ZGMRORCKJNFBLN-NSHDSACASA-N 1 0 390.709 2.680 20 0 GFADRO CCO[C@H]1C[C@@](CO)([NH2+]Cc2ccccc2I)C1(C)C ZINC000780590015 657015876 /nfs/dbraw/zinc/01/58/76/657015876.db2.gz KSQZJIYDQFCTFM-HOCLYGCPSA-N 1 0 389.277 2.947 20 0 GFADRO COc1cc(Br)cc(S(=O)(=O)NC[C@@H](C)[NH+]2CCCCC2)c1 ZINC000780716933 657025208 /nfs/dbraw/zinc/02/52/08/657025208.db2.gz ADCJHYGGZGQBOH-GFCCVEGCSA-N 1 0 391.331 2.610 20 0 GFADRO C[NH+]1CCC(C)(CNC(=O)/C=C\c2ccc(I)o2)CC1 ZINC000780741609 657026523 /nfs/dbraw/zinc/02/65/23/657026523.db2.gz FGXQNEQQRCMWND-XQRVVYSFSA-N 1 0 388.249 2.746 20 0 GFADRO COc1cc(/C=C\C(=O)N2CC[C@@H](C[NH+](C)C)C2)cc(Br)c1O ZINC000781406701 657054726 /nfs/dbraw/zinc/05/47/26/657054726.db2.gz QZAIXQBNMNWQID-ZFDPJTLLSA-N 1 0 383.286 2.587 20 0 GFADRO CS[C@@H]1CN(S(=O)(=O)c2cccc(C(F)F)c2)C[C@@H]1[NH+]1CCCC1 ZINC000782481391 657149367 /nfs/dbraw/zinc/14/93/67/657149367.db2.gz FRAYVQSTKLSBPC-LSDHHAIUSA-N 1 0 376.494 2.825 20 0 GFADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1Cn1ncc2c1cccc2Br ZINC000782913787 657192704 /nfs/dbraw/zinc/19/27/04/657192704.db2.gz OHIWAFNUTDDNQX-CQSZACIVSA-N 1 0 393.329 2.941 20 0 GFADRO Cc1cc(NC(=O)[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cnc1Br ZINC000783631085 657248020 /nfs/dbraw/zinc/24/80/20/657248020.db2.gz MQJPLBZMSSKRRS-GOSISDBHSA-N 1 0 390.281 2.728 20 0 GFADRO S=C(Nc1ccc(Br)cc1)N1CC[NH+](C2CCOCC2)CC1 ZINC000783743322 657257849 /nfs/dbraw/zinc/25/78/49/657257849.db2.gz GNNBGNOWGWBZQG-UHFFFAOYSA-N 1 0 384.343 2.943 20 0 GFADRO O=c1c(Br)nn(C[NH+]2CCC([C@@H]3CCOC3)CC2)c2ccccc12 ZINC000784009685 657281629 /nfs/dbraw/zinc/28/16/29/657281629.db2.gz WKAYVWPATHWEKM-CQSZACIVSA-N 1 0 392.297 2.865 20 0 GFADRO C[C@H](CCNS(=O)(=O)c1c(Cl)nc2sccn21)[NH+]1CCCCC1 ZINC000784472294 657311450 /nfs/dbraw/zinc/31/14/50/657311450.db2.gz GTPQJQXTLZHYRD-LLVKDONJSA-N 1 0 376.935 2.592 20 0 GFADRO CCOCC[NH2+]Cc1ccc(Br)cc1SCCS(C)(=O)=O ZINC000784501011 657314486 /nfs/dbraw/zinc/31/44/86/657314486.db2.gz GIIOMHMQNORORM-UHFFFAOYSA-N 1 0 396.372 2.712 20 0 GFADRO CN(CCCC[NH+](C)C)C(=O)C(=O)Nc1cccc(C2SCCS2)c1 ZINC000784897526 657330487 /nfs/dbraw/zinc/33/04/87/657330487.db2.gz UPKNVTHALIZVGJ-UHFFFAOYSA-N 1 0 381.567 2.904 20 0 GFADRO Cn1nc(Br)cc1C[NH2+]Cc1ccc(C(=O)N2CCCC2)cc1 ZINC000785418211 657363384 /nfs/dbraw/zinc/36/33/84/657363384.db2.gz XHANWBRPKKMIMS-UHFFFAOYSA-N 1 0 377.286 2.708 20 0 GFADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)/C=C\c1ccc(Br)o1 ZINC000785439344 657364899 /nfs/dbraw/zinc/36/48/99/657364899.db2.gz RABLFPVKNLPCSX-HSBHDXMMSA-N 1 0 383.286 2.767 20 0 GFADRO CC(C)NC(=O)c1cnn2c1C[C@H](C[NH2+]Cc1occc1Br)CC2 ZINC000785564940 657375177 /nfs/dbraw/zinc/37/51/77/657375177.db2.gz UQISRDURJCRWBB-GFCCVEGCSA-N 1 0 395.301 2.729 20 0 GFADRO C[C@H](C[C@@H](C)[NH2+]Cc1ccc(S(C)(=O)=O)s1)NC(=O)OC(C)(C)C ZINC000786961409 657497690 /nfs/dbraw/zinc/49/76/90/657497690.db2.gz YSZHMJSXUUUSTM-VXGBXAGGSA-N 1 0 376.544 2.933 20 0 GFADRO Cc1ccc(Br)nc1C(=O)N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000787120311 657518195 /nfs/dbraw/zinc/51/81/95/657518195.db2.gz RVYKMZHPLSTACX-HNNXBMFYSA-N 1 0 396.329 2.870 20 0 GFADRO COC(=O)[C@H]1CC[N@H+](Cn2nc(-c3ccc(Br)cc3)nc2C)[C@H]1C ZINC000787239358 657531701 /nfs/dbraw/zinc/53/17/01/657531701.db2.gz NOBJMIWCAWWKHB-NHYWBVRUSA-N 1 0 393.285 2.857 20 0 GFADRO Cc1csc(C(=O)NCC[N@H+]2CCC[C@@H]2C)c1I ZINC000787489687 657561110 /nfs/dbraw/zinc/56/11/10/657561110.db2.gz SXANOHFHCUHQFH-JTQLQIEISA-N 1 0 378.279 2.875 20 0 GFADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000787669169 657584665 /nfs/dbraw/zinc/58/46/65/657584665.db2.gz GVAYXUKAZNCFJV-SJCJKPOMSA-N 1 0 387.307 2.739 20 0 GFADRO CO[C@@H](C)C(=O)OC1CC[NH+](CCOc2cccc(Br)c2)CC1 ZINC000788049875 657639728 /nfs/dbraw/zinc/63/97/28/657639728.db2.gz AJHACRWKILKZQL-ZDUSSCGKSA-N 1 0 386.286 2.870 20 0 GFADRO CCOC(=O)[C@@H]1[C@H]([NH2+]CCSC(F)(F)F)CCN1C(=O)OC(C)(C)C ZINC000788558191 657745382 /nfs/dbraw/zinc/74/53/82/657745382.db2.gz TXIYLUFRUBNKGR-MNOVXSKESA-N 1 0 386.436 2.770 20 0 GFADRO Cn1c(Cl)ncc1S(=O)(=O)N[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000788916082 657796689 /nfs/dbraw/zinc/79/66/89/657796689.db2.gz IUZPXGXGZHZWTH-HNNXBMFYSA-N 1 0 382.917 2.579 20 0 GFADRO CN(Cc1cccc(Br)c1)CN1C[C@@]2(C[NH+]3CCC2CC3)OC1=O ZINC000790371926 657961198 /nfs/dbraw/zinc/96/11/98/657961198.db2.gz QRQMWTZYEGDYBT-GOSISDBHSA-N 1 0 394.313 2.755 20 0 GFADRO C[N@@H+]1CCCC(C)(C)[C@H]1CNS(=O)(=O)c1ccc2nc(Cl)cnc2c1 ZINC000790449583 657982075 /nfs/dbraw/zinc/98/20/75/657982075.db2.gz JOCFFZWMLVBGHG-OAHLLOKOSA-N 1 0 382.917 2.682 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)Cc1cccnc1Br)c1cccc(F)c1 ZINC000791299575 658078028 /nfs/dbraw/zinc/07/80/28/658078028.db2.gz BUFMBGGGABAJJD-OAHLLOKOSA-N 1 0 380.261 2.945 20 0 GFADRO C[NH+](C)CCCOC(=O)[C@H]1CCCN1C(=O)c1ccc(Br)cc1 ZINC000791808898 658183270 /nfs/dbraw/zinc/18/32/70/658183270.db2.gz FIYNFWAEIZZFOU-OAHLLOKOSA-N 1 0 383.286 2.549 20 0 GFADRO C[NH+](C)CCOc1ccccc1CNC(=O)c1nc(Br)ccc1F ZINC000792106426 658232694 /nfs/dbraw/zinc/23/26/94/658232694.db2.gz OEGZLARWRIGUJG-UHFFFAOYSA-N 1 0 396.260 2.854 20 0 GFADRO COCC[C@@H]([NH2+]CC(=O)N1CCO[C@H](C)C1)c1ccc(Cl)c(Cl)c1 ZINC000792929718 658331479 /nfs/dbraw/zinc/33/14/79/658331479.db2.gz XUTOPCSDRCWZGX-MLGOLLRUSA-N 1 0 375.296 2.908 20 0 GFADRO C[N@@H+](Cc1ccc(Br)o1)C[C@H](O)CCNC(=O)OC(C)(C)C ZINC000792958376 658335303 /nfs/dbraw/zinc/33/53/03/658335303.db2.gz IHBKTOZSCCGLCT-LLVKDONJSA-N 1 0 377.279 2.750 20 0 GFADRO CC(C)(C)OC(=O)NCC[C@@H](O)C[NH2+]Cc1csc(Br)c1 ZINC000792960534 658335477 /nfs/dbraw/zinc/33/54/77/658335477.db2.gz VAVLEKJWIUAEEF-LLVKDONJSA-N 1 0 379.320 2.876 20 0 GFADRO CCOC(=O)C(F)(F)[C@H]1CC[C@H]([NH2+]Cc2ccc(S(=O)(=O)CC)s2)C1 ZINC000793208116 658371746 /nfs/dbraw/zinc/37/17/46/658371746.db2.gz XKISIHJKJVFCIE-RYUDHWBXSA-N 1 0 395.493 2.998 20 0 GFADRO CSC1(CNC(=O)[C@@H](O)c2cc(Cl)cc(Cl)c2)CC[NH+](C)CC1 ZINC000793359647 658389427 /nfs/dbraw/zinc/38/94/27/658389427.db2.gz VDFVSYABSYVAQD-AWEZNQCLSA-N 1 0 377.337 2.970 20 0 GFADRO CSC1(CNC(=O)c2nc(Br)sc2C)CC[NH+](C)CC1 ZINC000793368777 658390844 /nfs/dbraw/zinc/39/08/44/658390844.db2.gz VSTLLRVSVFXKTA-UHFFFAOYSA-N 1 0 378.361 2.771 20 0 GFADRO COc1ccc([C@@H](C[NH+](C)C)NC(=O)c2[nH]nc(C)c2Br)cc1 ZINC000793514275 658403091 /nfs/dbraw/zinc/40/30/91/658403091.db2.gz BWVQPFZYPUCOSC-CYBMUJFWSA-N 1 0 381.274 2.522 20 0 GFADRO Cc1nc(SC(F)F)sc1CC(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000793616687 658416648 /nfs/dbraw/zinc/41/66/48/658416648.db2.gz ZBAVLDOLFUYFAG-CQSZACIVSA-N 1 0 381.539 2.862 20 0 GFADRO C[C@@H]1CN(C(=S)NCCCCC(F)(F)F)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000794981754 658644195 /nfs/dbraw/zinc/64/41/95/658644195.db2.gz FVTCBPUYEDVYFU-HUUCEWRRSA-N 1 0 380.524 2.551 20 0 GFADRO O=C1c2c(cccc2Br)CN1CN1CC[NH+](C2CCCC2)CC1 ZINC000795407354 658814826 /nfs/dbraw/zinc/81/48/26/658814826.db2.gz BIYHIZDRNDDHGX-UHFFFAOYSA-N 1 0 378.314 2.923 20 0 GFADRO O=C1c2c(cccc2Br)CN1CN1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000795422271 658816550 /nfs/dbraw/zinc/81/65/50/658816550.db2.gz HYXUEPZLPMJIJX-OAHLLOKOSA-N 1 0 378.314 2.923 20 0 GFADRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1CN1C(=O)c2ccc(Br)cc2C1=O ZINC000795704068 658843033 /nfs/dbraw/zinc/84/30/33/658843033.db2.gz GTZLCZCUZSWMFA-TZMCWYRMSA-N 1 0 392.297 2.561 20 0 GFADRO CC[C@H]([NH2+]C[C@@H](OC)C(F)(F)F)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000795811526 658854068 /nfs/dbraw/zinc/85/40/68/658854068.db2.gz NHRUQPWJRHOXLO-WCQYABFASA-N 1 0 388.839 2.866 20 0 GFADRO Cc1nn(-c2ccccn2)c(Cl)c1C[NH2+][C@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000796310592 658912173 /nfs/dbraw/zinc/91/21/73/658912173.db2.gz BBSCBOWSIBKXPF-KBPBESRZSA-N 1 0 382.917 2.675 20 0 GFADRO CC(C)(C)OC(=O)N1CCO[C@H]([C@H]([NH2+]C[C@@H]2CSCCS2)C2CC2)C1 ZINC000796793322 658939562 /nfs/dbraw/zinc/93/95/62/658939562.db2.gz NDKOSVHZTIOBMG-OWCLPIDISA-N 1 0 388.599 2.839 20 0 GFADRO CC1=C(Br)CN(C(=O)[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000797777620 659050084 /nfs/dbraw/zinc/05/00/84/659050084.db2.gz PEMAGILLVQBUSF-SFHVURJKSA-N 1 0 379.298 2.525 20 0 GFADRO CC[NH+](CC)CC[C@@H](CO)NC(=O)[C@H](C)Sc1nc2ccccc2s1 ZINC000798144017 659075911 /nfs/dbraw/zinc/07/59/11/659075911.db2.gz SDAXAFGQAOULJR-KBPBESRZSA-N 1 0 381.567 2.986 20 0 GFADRO CN(CCC[NH+]1CCCC1)C(=O)/C=C/c1ccc(I)o1 ZINC000799026569 659161089 /nfs/dbraw/zinc/16/10/89/659161089.db2.gz UOCKGWVINQTWGB-SOFGYWHQSA-N 1 0 388.249 2.842 20 0 GFADRO Cc1cc(C[NH2+]CCNS(=O)(=O)c2ccc(Cl)cc2F)cc(Cl)n1 ZINC000799736077 659218375 /nfs/dbraw/zinc/21/83/75/659218375.db2.gz HAEHYIMVIFXCEJ-UHFFFAOYSA-N 1 0 392.283 2.904 20 0 GFADRO CC[NH+](CC)Cc1cccc(NC(=O)C(=O)N2CCC=C(Br)C2)c1 ZINC000799837876 659234965 /nfs/dbraw/zinc/23/49/65/659234965.db2.gz NLKBESJZTXMJFB-UHFFFAOYSA-N 1 0 394.313 2.978 20 0 GFADRO O=C(/C=C\c1ccc(Br)o1)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000801014653 659364085 /nfs/dbraw/zinc/36/40/85/659364085.db2.gz BRQVRIOQJDTCOG-KXQLTZBTSA-N 1 0 383.286 2.626 20 0 GFADRO O=C(Nc1ncc(C(F)(F)F)s1)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000801751110 659423028 /nfs/dbraw/zinc/42/30/28/659423028.db2.gz MUSVEKFZCQIQIH-NSHDSACASA-N 1 0 378.420 2.927 20 0 GFADRO O=C(NC[C@@H](O)c1cccc(Br)c1)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000801765507 659425473 /nfs/dbraw/zinc/42/54/73/659425473.db2.gz OQTGUQUKWKCHLM-IAGOWNOFSA-N 1 0 396.329 2.799 20 0 GFADRO CC[N@H+](CC[C@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@@H](C)CS(C)(=O)=O ZINC000801920330 659434564 /nfs/dbraw/zinc/43/45/64/659434564.db2.gz PFIDWIWGZINUHE-JKSUJKDBSA-N 1 0 376.563 2.779 20 0 GFADRO C[NH+](C)CCN(Cc1ccc(F)cc1)S(=O)(=O)c1cnc(Cl)c(F)c1 ZINC000804959532 659703349 /nfs/dbraw/zinc/70/33/49/659703349.db2.gz DNPFCJRPTACYMU-UHFFFAOYSA-N 1 0 389.855 2.766 20 0 GFADRO C[NH+](C)CCOc1ccc(/C=C\C(=O)NCC(F)(F)Br)cc1 ZINC000805242930 659758554 /nfs/dbraw/zinc/75/85/54/659758554.db2.gz GSWGBTDWFJAATR-YVMONPNESA-N 1 0 377.229 2.744 20 0 GFADRO C[C@H]([NH2+]CCCn1cc(Br)cn1)c1ccc(N2CCNC2=O)cc1 ZINC000806659858 659839130 /nfs/dbraw/zinc/83/91/30/659839130.db2.gz HTXLCNWPTQMALC-ZDUSSCGKSA-N 1 0 392.301 2.916 20 0 GFADRO CC(=O)N(c1nn(CN2CC[C@H]([NH+]3CCCC3)[C@H]2C)c(=S)s1)C1CC1 ZINC000808190234 659880814 /nfs/dbraw/zinc/88/08/14/659880814.db2.gz FMUZASWNHAIKLJ-DOMZBBRYSA-N 1 0 381.571 2.705 20 0 GFADRO CCN1C(=O)N=NC1C1CC[NH+](C[C@@H](O)c2ccc(Br)cc2)CC1 ZINC000808740179 659904026 /nfs/dbraw/zinc/90/40/26/659904026.db2.gz HEQLPKIMRSPDFB-OAHLLOKOSA-N 1 0 395.301 2.679 20 0 GFADRO C[NH+](C)CCN(Cc1ccccc1I)C[C@H]1CCCO1 ZINC000809737593 659937744 /nfs/dbraw/zinc/93/77/44/659937744.db2.gz IWBNDGJKPXHFQS-OAHLLOKOSA-N 1 0 388.293 2.834 20 0 GFADRO O=C(NC[C@@H]1CCC[N@@H+](C[C@@H](O)c2ccc(Cl)c(F)c2)C1)C(F)(F)F ZINC000810072716 659959344 /nfs/dbraw/zinc/95/93/44/659959344.db2.gz OAWHMKBIDULSRX-IINYFYTJSA-N 1 0 382.785 2.903 20 0 GFADRO COc1c(F)cc(Br)cc1S(=O)(=O)N[C@H](C)C[N@H+](C)C(C)C ZINC000810091297 659961089 /nfs/dbraw/zinc/96/10/89/659961089.db2.gz OCJRZBUOQZBMBF-SNVBAGLBSA-N 1 0 397.310 2.604 20 0 GFADRO NS(=O)(=O)c1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[C@H]3SCCS[C@H]13)CCC2 ZINC000810228716 659967520 /nfs/dbraw/zinc/96/75/20/659967520.db2.gz JZPYABMBRQMUOG-QBPKDAKJSA-N 1 0 384.592 2.681 20 0 GFADRO COc1ccc(C[C@](C)(O)C[NH2+][C@@H]2CC[C@H]3SCCS[C@@H]23)cc1OC ZINC000810255720 659967946 /nfs/dbraw/zinc/96/79/46/659967946.db2.gz OJKYXOHAFBBAPM-OAOYMFHYSA-N 1 0 383.579 2.967 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)N2CC(=O)Nc3ccc(Br)cc32)C1 ZINC000810651214 659981342 /nfs/dbraw/zinc/98/13/42/659981342.db2.gz HWISUVIFLGFTPV-QGZVFWFLSA-N 1 0 398.276 2.947 20 0 GFADRO Nc1nc(N2CCC[C@@H](OC(=O)c3csc(Br)c3)C2)cc[nH+]1 ZINC000810768470 659985381 /nfs/dbraw/zinc/98/53/81/659985381.db2.gz NPVCUZJVQMAPDQ-SNVBAGLBSA-N 1 0 383.271 2.709 20 0 GFADRO Cn1c(SCC(=O)O[C@H]2CC[N@@H+]3CCC[C@@H]3C2)nnc1-c1cccs1 ZINC000810849141 659988413 /nfs/dbraw/zinc/98/84/13/659988413.db2.gz YRPJVMGFJKXRJU-OLZOCXBDSA-N 1 0 378.523 2.806 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)N1CC(O)(c2ccc(Cl)cc2)C1)c1ccsc1 ZINC000812003015 660018847 /nfs/dbraw/zinc/01/88/47/660018847.db2.gz YNFVSHOVYJWUSN-MRXNPFEDSA-N 1 0 379.913 2.917 20 0 GFADRO CC[N@H+](C[C@H](C)OC)Cn1ncc2c1ccc(Br)c2C(=O)OC ZINC000812302234 660023095 /nfs/dbraw/zinc/02/30/95/660023095.db2.gz RQOFCMIHAXUZQB-NSHDSACASA-N 1 0 384.274 2.900 20 0 GFADRO C[C@H](Oc1ccc(F)cc1Br)C(=O)N1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000812332871 660024360 /nfs/dbraw/zinc/02/43/60/660024360.db2.gz LVKAYKSJZKSCFU-RWMBFGLXSA-N 1 0 385.277 2.766 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc(=O)[nH]c4ccc(Br)cc43)C[C@@H]2C1 ZINC000812342909 660025248 /nfs/dbraw/zinc/02/52/48/660025248.db2.gz NQNPHPHZZBSVAI-NEPJUHHUSA-N 1 0 390.281 2.727 20 0 GFADRO COC(=O)[C@@](C)(NC(=O)CC1CC[NH+](C)CC1)c1cccc(Br)c1 ZINC000813446593 660054363 /nfs/dbraw/zinc/05/43/63/660054363.db2.gz GJHLTFBTTBYDSK-SFHVURJKSA-N 1 0 397.313 2.685 20 0 GFADRO C[C@H](CNC(=O)/C=C\CN(C)CC(F)(F)F)[N@@H+]1CCc2sccc2C1 ZINC000814480482 660086508 /nfs/dbraw/zinc/08/65/08/660086508.db2.gz RRPJAEDRMCVDLR-DHCBQETCSA-N 1 0 375.460 2.661 20 0 GFADRO CC[C@@H]([NH2+]Cc1ccnc(Br)c1)c1cccc(S(N)(=O)=O)c1 ZINC000815082798 660110429 /nfs/dbraw/zinc/11/04/29/660110429.db2.gz FUVZTDGBDKGZRN-CQSZACIVSA-N 1 0 384.299 2.732 20 0 GFADRO CCO[C@@H]1COCC[C@H]1[NH2+]C[C@](C)(O)c1ccc(Br)cc1F ZINC000815095178 660111468 /nfs/dbraw/zinc/11/14/68/660111468.db2.gz NKDRBDWOMQJSBU-OAGGEKHMSA-N 1 0 376.266 2.579 20 0 GFADRO O=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)c1cn2c(Br)cnc2s1 ZINC000816496799 660158866 /nfs/dbraw/zinc/15/88/66/660158866.db2.gz XYFMUEHXACIQIX-NSHDSACASA-N 1 0 383.315 2.905 20 0 GFADRO C[NH+](C)CCOc1ccc(CNC(=O)c2nc(F)ccc2Br)cc1 ZINC000816889503 660171486 /nfs/dbraw/zinc/17/14/86/660171486.db2.gz APBZTGOHAWVTSG-UHFFFAOYSA-N 1 0 396.260 2.854 20 0 GFADRO C[C@@H]1C[C@@H](N2C(=O)[C@@H]3Cc4c(Br)cccc4CN3C2=O)CC[N@@H+]1C ZINC000842242082 661329768 /nfs/dbraw/zinc/32/97/68/661329768.db2.gz DJBBAYLKIOLZDI-FFSVYQOJSA-N 1 0 392.297 2.621 20 0 GFADRO O=S(=O)(c1c(F)c(F)c(F)c(F)c1F)N1CCCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000842480941 661341181 /nfs/dbraw/zinc/34/11/81/661341181.db2.gz CNFJUBZMUAUGOG-BDAKNGLRSA-N 1 0 384.370 2.677 20 0 GFADRO [NH3+][C@@H]1CCO[C@H](C2CCN(S(=O)(=O)/C=C\c3ccccc3Cl)CC2)C1 ZINC000842484657 661341784 /nfs/dbraw/zinc/34/17/84/661341784.db2.gz KIRREWGNHUICSY-YGEPPWHWSA-N 1 0 384.929 2.859 20 0 GFADRO [NH3+][C@@H]1CCO[C@@H](C2CCN(S(=O)(=O)/C=C/c3ccc(Cl)cc3)CC2)C1 ZINC000842485613 661341961 /nfs/dbraw/zinc/34/19/61/661341961.db2.gz XAFXSWIUKSCDQB-YJZJKARDSA-N 1 0 384.929 2.859 20 0 GFADRO [NH3+]CCC[C@H](NC(=O)c1cccnc1I)c1ccccc1 ZINC000842510335 661342802 /nfs/dbraw/zinc/34/28/02/661342802.db2.gz OKOICOHCVPEVJA-AWEZNQCLSA-N 1 0 395.244 2.896 20 0 GFADRO C[NH2+]C[C@H](C)c1noc([C@H]2CCN(c3cccc(Br)c3)C2=O)n1 ZINC000842578780 661344140 /nfs/dbraw/zinc/34/41/40/661344140.db2.gz HMBOAYDTWJDVIS-GXFFZTMASA-N 1 0 379.258 2.676 20 0 GFADRO C[NH2+]C[C@@H](C)c1noc([C@H]2CCN(c3ccccc3Br)C2=O)n1 ZINC000842578761 661344154 /nfs/dbraw/zinc/34/41/54/661344154.db2.gz GZSWSFOQYKKBBH-GHMZBOCLSA-N 1 0 379.258 2.676 20 0 GFADRO O=C1C[C@@H](c2nc([C@@H]3CCC[NH2+]C3)no2)CN1c1ccccc1Br ZINC000842665495 661348115 /nfs/dbraw/zinc/34/81/15/661348115.db2.gz PCJXPNVZYUQPHB-VXGBXAGGSA-N 1 0 391.269 2.820 20 0 GFADRO CCC(=O)c1ccc(Cl)c(S(=O)(=O)NCc2ccc(CC[NH3+])cc2)c1 ZINC000842702607 661350106 /nfs/dbraw/zinc/35/01/06/661350106.db2.gz NYKZLYANISGDSM-UHFFFAOYSA-N 1 0 380.897 2.912 20 0 GFADRO COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N[C@@](C)(C[NH3+])CC(C)C ZINC000842722416 661350929 /nfs/dbraw/zinc/35/09/29/661350929.db2.gz GLCVKKYEJPOGLV-CXAGYDPISA-N 1 0 392.949 2.796 20 0 GFADRO CN(C1CCC([NH3+])CC1)S(=O)(=O)c1cc(Cl)ccc1Br ZINC000842737794 661351885 /nfs/dbraw/zinc/35/18/85/661351885.db2.gz PKACZDZUQQVKJD-UHFFFAOYSA-N 1 0 381.723 2.993 20 0 GFADRO CC[C@@H]1CN(S(=O)(=O)c2c(OC)ccc3nc(Cl)ccc32)CC[C@H]1[NH3+] ZINC000842794368 661354542 /nfs/dbraw/zinc/35/45/42/661354542.db2.gz ZTYIPZRRWFYTMY-DGCLKSJQSA-N 1 0 383.901 2.645 20 0 GFADRO CC(C)[N@@H+]1CCC[C@@H](COC(=O)c2cnn3cc(Br)cnc23)C1 ZINC000842831000 661356923 /nfs/dbraw/zinc/35/69/23/661356923.db2.gz PQXJIPOHUCOXSP-GFCCVEGCSA-N 1 0 381.274 2.769 20 0 GFADRO O=S(=O)(/C=C\c1cccc(Br)c1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000842850361 661357184 /nfs/dbraw/zinc/35/71/84/661357184.db2.gz RANQJHYSPAVDOT-MGDKSHQASA-N 1 0 385.327 2.825 20 0 GFADRO CC(=O)c1ccc(Cl)c(S(=O)(=O)N(CC[NH3+])CCc2ccccc2)c1 ZINC000842851893 661357376 /nfs/dbraw/zinc/35/73/76/661357376.db2.gz MPNNFDGSPUBJDH-UHFFFAOYSA-N 1 0 380.897 2.735 20 0 GFADRO O=S(=O)(/C=C\c1cccc(Br)c1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000842871360 661358106 /nfs/dbraw/zinc/35/81/06/661358106.db2.gz BORICAGZCILOLZ-VUEDLFODSA-N 1 0 385.327 2.681 20 0 GFADRO Cc1cccc([C@@H](O)C[NH2+]C[C@@H](O)COc2ccc(Br)cc2)c1 ZINC000843087104 661367221 /nfs/dbraw/zinc/36/72/21/661367221.db2.gz IZAILKUMCXWAKO-AEFFLSMTSA-N 1 0 380.282 2.820 20 0 GFADRO C[C@H](C[C@H](O)c1ccco1)[NH2+]C[C@H](O)COc1cccc(Br)c1 ZINC000843101739 661367858 /nfs/dbraw/zinc/36/78/58/661367858.db2.gz QOWPXXFCESJNDL-INWMFGNUSA-N 1 0 384.270 2.884 20 0 GFADRO C[C@](O)(C[NH2+][C@H](CO)C1CCOCC1)c1ccc(Br)cc1Cl ZINC000843103183 661368089 /nfs/dbraw/zinc/36/80/89/661368089.db2.gz KCLHIFKUXVUQRS-CVEARBPZSA-N 1 0 392.721 2.687 20 0 GFADRO C[C@@](O)(C[NH2+]C[C@@]1(CCO)CCOC1)c1ccc(Br)cc1Cl ZINC000843102695 661368093 /nfs/dbraw/zinc/36/80/93/661368093.db2.gz YFDQYVHFUHRYOW-HZPDHXFCSA-N 1 0 392.721 2.689 20 0 GFADRO C[C@H]([NH2+]C[C@H](O)COC1CCOCC1)[C@H](O)c1c(Cl)cccc1Cl ZINC000843103580 661368108 /nfs/dbraw/zinc/36/81/08/661368108.db2.gz MOGWJZJWOLUUBJ-PRXAMGSTSA-N 1 0 378.296 2.561 20 0 GFADRO C[C@@](O)(C[NH2+][C@@H](CO)C1CCOCC1)c1ccc(Br)cc1Cl ZINC000843103186 661368170 /nfs/dbraw/zinc/36/81/70/661368170.db2.gz KCLHIFKUXVUQRS-JKSUJKDBSA-N 1 0 392.721 2.687 20 0 GFADRO C[C@@](O)(C[NH2+]C[C@@H](CO)Cc1cccnc1)c1ccc(Br)cc1F ZINC000843108585 661368321 /nfs/dbraw/zinc/36/83/21/661368321.db2.gz ADOWPOYLKXPIEX-KBXCAEBGSA-N 1 0 397.288 2.632 20 0 GFADRO OC[C@@H](C[NH2+]C[C@@H](O)c1ccccc1Br)Cc1ccncc1Cl ZINC000843113069 661368962 /nfs/dbraw/zinc/36/89/62/661368962.db2.gz KWGKIYFIVQMVJK-SJKOYZFVSA-N 1 0 399.716 2.972 20 0 GFADRO COc1ccc(OC)c([C@H](O)C[NH2+]C[C@H](O)c2cccc(Br)c2)c1 ZINC000843113513 661369163 /nfs/dbraw/zinc/36/91/63/661369163.db2.gz WCJKZWASMFSCRS-DLBZAZTESA-N 1 0 396.281 2.823 20 0 GFADRO Cc1ccc(C[C@H](CO)C[NH2+]C[C@@H](O)c2ccc(F)cn2)cc1Br ZINC000843115003 661369416 /nfs/dbraw/zinc/36/94/16/661369416.db2.gz FNTDVEIOUYRLJZ-KBXCAEBGSA-N 1 0 397.288 2.766 20 0 GFADRO Cc1ccccc1OC[C@@H](O)C[NH2+]C[C@H](O)c1cccc(Br)c1 ZINC000843116990 661369538 /nfs/dbraw/zinc/36/95/38/661369538.db2.gz XRGWDXJOORCQOU-IRXDYDNUSA-N 1 0 380.282 2.820 20 0 GFADRO COc1ccc(Br)cc1C[C@@H](CO)C[NH2+]CC1(O)CCCCC1 ZINC000843116243 661369656 /nfs/dbraw/zinc/36/96/56/661369656.db2.gz KAEYQMDOOIMCLI-CQSZACIVSA-N 1 0 386.330 2.894 20 0 GFADRO O=C(CC[NH2+][C@@H]1COc2ccccc2[C@H]1O)Nc1cccc(Br)c1 ZINC000843117704 661369784 /nfs/dbraw/zinc/36/97/84/661369784.db2.gz SDQPDZUEFNATQH-CRAIPNDOSA-N 1 0 391.265 2.862 20 0 GFADRO CC(C)[C@@H]([NH3+])c1noc(CCNS(=O)(=O)c2c(Cl)cccc2Cl)n1 ZINC000843149398 661370750 /nfs/dbraw/zinc/37/07/50/661370750.db2.gz DWPKVNISZKLKMF-GFCCVEGCSA-N 1 0 393.296 2.553 20 0 GFADRO [NH3+]CC1(c2nc(Cc3cc(Br)c4c(c3)OCCCO4)no2)CC1 ZINC000843203441 661372433 /nfs/dbraw/zinc/37/24/33/661372433.db2.gz RUJPQFGRBDWNDY-UHFFFAOYSA-N 1 0 380.242 2.575 20 0 GFADRO Brc1cc2c(cc1Cc1noc(CC3CC[NH2+]CC3)n1)OCO2 ZINC000843203704 661372502 /nfs/dbraw/zinc/37/25/02/661372502.db2.gz WOFIROYDXMISMW-UHFFFAOYSA-N 1 0 380.242 2.694 20 0 GFADRO Clc1ccc(O[C@H]2CCOC2)c(-c2noc(C[C@H]3CSCC[NH2+]3)n2)c1 ZINC000843210229 661372817 /nfs/dbraw/zinc/37/28/17/661372817.db2.gz VZHLGPIXNBYDCA-STQMWFEESA-N 1 0 381.885 2.805 20 0 GFADRO CSc1ccc(I)c(-c2noc(CCC[NH3+])n2)c1 ZINC000843239892 661374499 /nfs/dbraw/zinc/37/44/99/661374499.db2.gz DPOUMFBUGFMTLF-UHFFFAOYSA-N 1 0 375.235 2.954 20 0 GFADRO C[C@H](C[C@@H](C)[NH2+]Cc1c(Br)cnn1C)NC(=O)OC(C)(C)C ZINC000843417174 661380909 /nfs/dbraw/zinc/38/09/09/661380909.db2.gz QGTGMBWKABSIIE-GHMZBOCLSA-N 1 0 375.311 2.964 20 0 GFADRO COCC[N@H+]1[C@H](C)CN(Cc2cn3ccc(Br)cc3n2)C[C@@H]1C ZINC000843426151 661381165 /nfs/dbraw/zinc/38/11/65/661381165.db2.gz OZDNCOCABZJKLY-OKILXGFUSA-N 1 0 381.318 2.638 20 0 GFADRO CCCN(C(=O)c1cn(-c2ccccc2Br)nn1)[C@@H]1CC[N@H+](C)C1 ZINC000843991734 661399409 /nfs/dbraw/zinc/39/94/09/661399409.db2.gz LSVHCABYBSSDET-CYBMUJFWSA-N 1 0 392.301 2.586 20 0 GFADRO CC[NH+](CC)CCNC(=O)c1cc(Cl)c(NC(=O)C(F)F)cc1OC ZINC000844449195 661421235 /nfs/dbraw/zinc/42/12/35/661421235.db2.gz JMSUZWXKSYGVQZ-UHFFFAOYSA-N 1 0 377.819 2.624 20 0 GFADRO C[N@H+](C[C@H]1CCCOC1)CN1CC(c2ccc(Br)cc2)=CC1=O ZINC000844693017 661433888 /nfs/dbraw/zinc/43/38/88/661433888.db2.gz QJGHKTLEEVCRLC-CQSZACIVSA-N 1 0 379.298 2.991 20 0 GFADRO Cc1nn(CN2CCO[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]32)c(=S)s1 ZINC000844730706 661437463 /nfs/dbraw/zinc/43/74/63/661437463.db2.gz QRKOZVCLVVTDFV-IAGOWNOFSA-N 1 0 376.551 2.915 20 0 GFADRO CC(C)[C@H](CNC(=O)NCCC[C@H]1CC1(Cl)Cl)[NH+]1CCN(C)CC1 ZINC000844870152 661445608 /nfs/dbraw/zinc/44/56/08/661445608.db2.gz XXDLLOUSASKONM-GJZGRUSLSA-N 1 0 379.376 2.532 20 0 GFADRO CN(CC[NH+]1CCCCC1)C(=O)NCCOc1ncc(Cl)cc1Cl ZINC000845061688 661455279 /nfs/dbraw/zinc/45/52/79/661455279.db2.gz VTPRBQMYALPLJZ-UHFFFAOYSA-N 1 0 375.300 2.895 20 0 GFADRO C[NH+](C)CCOc1cc(CNC(=O)NCCC[C@H]2CC2(Cl)Cl)ccn1 ZINC000845081538 661455401 /nfs/dbraw/zinc/45/54/01/661455401.db2.gz QKXFZUQENDLSNK-AWEZNQCLSA-N 1 0 389.327 2.795 20 0 GFADRO O=C(NCCC[C@H]1CC1(Cl)Cl)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000845665756 661486009 /nfs/dbraw/zinc/48/60/09/661486009.db2.gz INIIIHQMUXYASU-HNNXBMFYSA-N 1 0 378.344 2.714 20 0 GFADRO C[C@]1(NS(=O)(=O)Cc2ccc(Cl)nc2)CC[N@H+](Cc2ccccc2)C1 ZINC000846024727 661524925 /nfs/dbraw/zinc/52/49/25/661524925.db2.gz AHOXNVZGGILUEP-SFHVURJKSA-N 1 0 379.913 2.819 20 0 GFADRO Cc1nn(-c2cccc(Cl)c2)c(Cl)c1CN1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000846067795 661528886 /nfs/dbraw/zinc/52/88/86/661528886.db2.gz KVLNVJBWISNKBL-MRXNPFEDSA-N 1 0 381.307 2.738 20 0 GFADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@H](C)[C@@](C)(O)c1ccccc1 ZINC000846187323 661537166 /nfs/dbraw/zinc/53/71/66/661537166.db2.gz KKQWTRKUWLHPNY-HBUWYVDXSA-N 1 0 379.298 2.885 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(S(=O)(=O)/C=C/c3cccc(Cl)c3)C2)C1 ZINC000846230115 661539261 /nfs/dbraw/zinc/53/92/61/661539261.db2.gz HJUTWCMHZQLCAA-WYUXJBACSA-N 1 0 384.929 2.859 20 0 GFADRO C[NH+](C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC[C@]1(C)CC1(Cl)Cl ZINC000846247238 661540814 /nfs/dbraw/zinc/54/08/14/661540814.db2.gz QFOIZPGDKYHCCI-MLGOLLRUSA-N 1 0 396.359 2.922 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(C(=O)Nc3cccc(Br)n3)C2)C1 ZINC000846309993 661544436 /nfs/dbraw/zinc/54/44/36/661544436.db2.gz DBLSMUOKBFBRKI-UPJWGTAASA-N 1 0 383.290 2.594 20 0 GFADRO Cc1cnc(Br)cc1NC(=O)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000847171675 661579068 /nfs/dbraw/zinc/57/90/68/661579068.db2.gz JGNDCAQOVJTJQG-AWEZNQCLSA-N 1 0 397.317 2.871 20 0 GFADRO C[C@@H]1C[NH+](CCCCNC(=O)c2nc(F)ccc2Br)C[C@@H](C)O1 ZINC000847553092 661597077 /nfs/dbraw/zinc/59/70/77/661597077.db2.gz OCXHYDUFLKUWTM-VXGBXAGGSA-N 1 0 388.281 2.602 20 0 GFADRO C[C@@H](COC(=O)c1ccc(Cl)c(S(=O)(=O)N(C)C)c1)[NH+]1CCCCC1 ZINC000847958355 661618563 /nfs/dbraw/zinc/61/85/63/661618563.db2.gz IBMCYZYYHJDOPW-ZDUSSCGKSA-N 1 0 388.917 2.622 20 0 GFADRO CSC1(CNC(=O)c2cnc(F)c(Br)c2)CC[NH+](C)CC1 ZINC000848102555 661625009 /nfs/dbraw/zinc/62/50/09/661625009.db2.gz VGRNJFGNBSJDCL-UHFFFAOYSA-N 1 0 376.295 2.540 20 0 GFADRO CCN1CCC([NH+]2CCC(C(=O)NC[C@]3(C)CC3(Cl)Cl)CC2)CC1 ZINC000848192819 661631833 /nfs/dbraw/zinc/63/18/33/661631833.db2.gz JOOWWDCBWAZEIR-KRWDZBQOSA-N 1 0 376.372 2.883 20 0 GFADRO [NH3+]C[C@@H](NC(=O)N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1)C(F)(F)F ZINC000848595016 661666524 /nfs/dbraw/zinc/66/65/24/661666524.db2.gz JBNBUYJOSGZNLI-KGLIPLIRSA-N 1 0 379.810 2.685 20 0 GFADRO CCOc1cc(C[NH2+]C[C@@H]2CN(C3CC3)C(=O)O2)cc(Br)c1OC ZINC000848578877 661666540 /nfs/dbraw/zinc/66/65/40/661666540.db2.gz URNGVBMBMMXPKP-CYBMUJFWSA-N 1 0 399.285 2.929 20 0 GFADRO Cn1cc(Br)c(COC(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000848777395 661682866 /nfs/dbraw/zinc/68/28/66/661682866.db2.gz PNPNDCRNUGZJSW-CQSZACIVSA-N 1 0 378.270 2.748 20 0 GFADRO CC(C)(C)SCC(=O)NCCn1cc([C@H]([NH3+])c2ccc(Cl)cc2)nn1 ZINC000849140169 661693860 /nfs/dbraw/zinc/69/38/60/661693860.db2.gz RKPJMMGZDUGTAN-MRXNPFEDSA-N 1 0 381.933 2.628 20 0 GFADRO CC1CC[NH+](CCN2C(=O)N[C@@H](c3ccccc3Br)C2=O)CC1 ZINC000849351753 661708579 /nfs/dbraw/zinc/70/85/79/661708579.db2.gz LGECMIQLLXAIAK-HNNXBMFYSA-N 1 0 380.286 2.774 20 0 GFADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@H]2C(=O)Nc2ccc(Br)cc2F)cn1 ZINC000849480480 661733235 /nfs/dbraw/zinc/73/32/35/661733235.db2.gz DNLLEDBZQZBHRG-KGLIPLIRSA-N 1 0 395.276 2.996 20 0 GFADRO Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)Nc2ccc(Br)cc2F)cn1 ZINC000849480481 661733417 /nfs/dbraw/zinc/73/34/17/661733417.db2.gz DNLLEDBZQZBHRG-UONOGXRCSA-N 1 0 395.276 2.996 20 0 GFADRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)C(=O)Nc2cccc(Br)c2F)C1 ZINC000850391250 661773825 /nfs/dbraw/zinc/77/38/25/661773825.db2.gz JWEUKMVTHSSGRS-QWRGUYRKSA-N 1 0 386.265 2.516 20 0 GFADRO CC(C)[C@@H](Cc1ccc(Br)cc1)[NH2+]CCOCCS(C)(=O)=O ZINC000850445762 661776485 /nfs/dbraw/zinc/77/64/85/661776485.db2.gz WBMXIXUHGSSZKO-MRXNPFEDSA-N 1 0 392.359 2.667 20 0 GFADRO COc1cc([C@H](C)[NH2+]C[C@]23OCCC[C@H]2C3(F)F)ccc1S(C)(=O)=O ZINC000850533565 661781078 /nfs/dbraw/zinc/78/10/78/661781078.db2.gz BSDZUXHWMCWWPS-XZJROXQQSA-N 1 0 375.437 2.564 20 0 GFADRO CS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCCC[C@@H]2[C@H]2CCC[NH2+]C2)c1 ZINC000850715742 661788299 /nfs/dbraw/zinc/78/82/99/661788299.db2.gz NGWDTXXIMPVCJK-SUMWQHHRSA-N 1 0 384.929 2.738 20 0 GFADRO CS(=O)(=O)c1cc(C(=O)N2CCCC[C@@H]2[C@@H]2CCC[NH2+]C2)ccc1Cl ZINC000850716596 661788377 /nfs/dbraw/zinc/78/83/77/661788377.db2.gz ZNCQJUJRBGIYER-GDBMZVCRSA-N 1 0 384.929 2.738 20 0 GFADRO Cn1c(Cl)cnc1-c1csc(NC(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)n1 ZINC000850754409 661790587 /nfs/dbraw/zinc/79/05/87/661790587.db2.gz PGQBLJLHVGYYTC-GARJFASQSA-N 1 0 380.905 2.707 20 0 GFADRO Cc1cc(Br)c(Cl)cc1NC(=O)C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000850822063 661791969 /nfs/dbraw/zinc/79/19/69/661791969.db2.gz XLAVKLWUQWMVGT-JTQLQIEISA-N 1 0 388.693 2.547 20 0 GFADRO C[NH2+]C[C@H](C)NC(=O)C(=O)Nc1ccccc1SC[C@H]1CC1(Cl)Cl ZINC000850867645 661793841 /nfs/dbraw/zinc/79/38/41/661793841.db2.gz PONJYOFPBLJMTC-WDEREUQCSA-N 1 0 390.336 2.635 20 0 GFADRO [NH3+]C1(CNC(=O)N2CCO[C@@H](c3ccccc3Br)C2)CCCC1 ZINC000851671218 661827929 /nfs/dbraw/zinc/82/79/29/661827929.db2.gz IVBYAIMPCAYKJN-OAHLLOKOSA-N 1 0 382.302 2.804 20 0 GFADRO NC(=O)[C@](O)(C[N@@H+]1CCC[C@@H]1c1ccc(Br)cc1)c1ccccc1 ZINC000851732205 661829500 /nfs/dbraw/zinc/82/95/00/661829500.db2.gz LVJCITYLJKTGBE-MJGOQNOKSA-N 1 0 389.293 2.959 20 0 GFADRO CN(CCn1cnc(Br)n1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000851796143 661832591 /nfs/dbraw/zinc/83/25/91/661832591.db2.gz VSZNSMVLXVYWHP-INIZCTEOSA-N 1 0 378.318 2.637 20 0 GFADRO O=S(=O)(NCC1CC[NH+](CC2CC2)CC1)c1ccc(Cl)nc1Cl ZINC000851879667 661842425 /nfs/dbraw/zinc/84/24/25/661842425.db2.gz MQVZOPSMWQTMMV-UHFFFAOYSA-N 1 0 378.325 2.789 20 0 GFADRO O=S(=O)(NC[C@H]1CCC[N@H+](CC2CC2)C1)c1ccc(Cl)nc1Cl ZINC000851894365 661843871 /nfs/dbraw/zinc/84/38/71/661843871.db2.gz BHXPEHFHPULLRX-GFCCVEGCSA-N 1 0 378.325 2.789 20 0 GFADRO Brc1ncn(CC[NH2+][C@H](CN2CCCCC2)c2ccccc2)n1 ZINC000851921446 661846020 /nfs/dbraw/zinc/84/60/20/661846020.db2.gz RHIWDXCPCGTILQ-MRXNPFEDSA-N 1 0 378.318 2.857 20 0 GFADRO CC[C@@H]1CN(CCn2cnc(Br)n2)CC[N@@H+]1Cc1ccccc1 ZINC000851935384 661846351 /nfs/dbraw/zinc/84/63/51/661846351.db2.gz CGZASOLOOQNYRT-MRXNPFEDSA-N 1 0 378.318 2.637 20 0 GFADRO CCC(CC)[C@@H](CNC(=O)NCCC1SCCS1)[NH+]1CCOCC1 ZINC000851944338 661846671 /nfs/dbraw/zinc/84/66/71/661846671.db2.gz MFXWJOUGQQWPQK-OAHLLOKOSA-N 1 0 375.604 2.619 20 0 GFADRO Brc1ncn(CC[N@@H+]2C[C@H](c3ccccc3)[C@H]3COCC[C@@H]32)n1 ZINC000852042525 661850384 /nfs/dbraw/zinc/85/03/84/661850384.db2.gz XKYIVCPNHCQRSU-OAGGEKHMSA-N 1 0 377.286 2.545 20 0 GFADRO COC(=O)C[C@](C)([NH2+]C[C@H](O)c1ccccn1)c1ccc(Br)cc1 ZINC000852045223 661850642 /nfs/dbraw/zinc/85/06/42/661850642.db2.gz UKBLNKWTYVILFH-WMZOPIPTSA-N 1 0 393.281 2.946 20 0 GFADRO O=C1CC[C@@H](C[N@H+]2CC[C@H](Cc3cccc(I)c3)C2)O1 ZINC000852112256 661853036 /nfs/dbraw/zinc/85/30/36/661853036.db2.gz OPTWIPMBLHTQFJ-HIFRSBDPSA-N 1 0 385.245 2.861 20 0 GFADRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)N1CCn2ncc(Br)c2C1 ZINC000852186908 661856048 /nfs/dbraw/zinc/85/60/48/661856048.db2.gz KVEAKUIUSZMLOM-MCIONIFRSA-N 1 0 398.349 2.537 20 0 GFADRO CCOP(=O)(OCC)[C@@H](O)C[NH+]1CCN(c2c(F)cccc2F)CC1 ZINC000852205194 661856404 /nfs/dbraw/zinc/85/64/04/661856404.db2.gz WABOHWXRDSLXIW-OAHLLOKOSA-N 1 0 378.356 2.671 20 0 GFADRO C[C@@](O)(C[N@@H+]1CC[C@@H](Cn2ccnn2)C1)c1ccc(Br)cc1Cl ZINC000852314482 661860168 /nfs/dbraw/zinc/86/01/68/661860168.db2.gz UACWRGDTSNMWHR-MLGOLLRUSA-N 1 0 399.720 2.924 20 0 GFADRO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)N1CCn2ncc(Br)c2C1 ZINC000852362711 661862407 /nfs/dbraw/zinc/86/24/07/661862407.db2.gz DSDWYPFVKVWLBS-AWEZNQCLSA-N 1 0 398.349 2.681 20 0 GFADRO C[C@]1(CNC(=O)NCC2CC[NH+](C3CCOCC3)CC2)CC1(Cl)Cl ZINC000852369152 661862703 /nfs/dbraw/zinc/86/27/03/661862703.db2.gz URUHHFZIUYECDU-MRXNPFEDSA-N 1 0 378.344 2.761 20 0 GFADRO COC(=O)N(C)CCN(C)Cc1cc2c(cc1Br)OCCCO2 ZINC000852569471 661867137 /nfs/dbraw/zinc/86/71/37/661867137.db2.gz OPXIODMUUCZXJK-UHFFFAOYSA-N 1 0 387.274 2.740 20 0 GFADRO O=C1OCCN1C1CC[NH+](C[C@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000852723991 661871818 /nfs/dbraw/zinc/87/18/18/661871818.db2.gz NWMFJAIHOYAZPZ-AWEZNQCLSA-N 1 0 389.279 2.650 20 0 GFADRO C[C@@H]1CCCN(C(=O)c2cnn(-c3ccccc3)c2Br)[C@H]1C[NH3+] ZINC000852798578 661874644 /nfs/dbraw/zinc/87/46/44/661874644.db2.gz LWYDRNCSHSMXRD-DOMZBBRYSA-N 1 0 377.286 2.834 20 0 GFADRO C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)c1cnn(-c2ccccc2)c1Br ZINC000852879610 661876361 /nfs/dbraw/zinc/87/63/61/661876361.db2.gz FZDSMOVWJCLSHR-LALPHHSUSA-N 1 0 377.286 2.751 20 0 GFADRO O=C(c1sccc1S(=O)(=O)C(F)F)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000852899764 661876649 /nfs/dbraw/zinc/87/66/49/661876649.db2.gz NEOLTXKTZWMPCH-GFCCVEGCSA-N 1 0 392.493 2.596 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CC[NH2+]C[C@H](O)c1ccccn1 ZINC000853098047 661882367 /nfs/dbraw/zinc/88/23/67/661882367.db2.gz KKOLHPGHHPAYFE-INIZCTEOSA-N 1 0 378.270 2.804 20 0 GFADRO O[C@H](C[NH2+]C[C@@H]1CCN(c2cccc(Br)c2)C1)c1ccccn1 ZINC000853100183 661882535 /nfs/dbraw/zinc/88/25/35/661882535.db2.gz ZIWUSQZTQOEUNY-KBXCAEBGSA-N 1 0 376.298 2.994 20 0 GFADRO OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1Nc1ncnc(F)c1Br ZINC000853366421 661888126 /nfs/dbraw/zinc/88/81/26/661888126.db2.gz AFOIGKWELHDTNM-KBPBESRZSA-N 1 0 395.276 2.673 20 0 GFADRO Cc1nc(-c2ccc(Br)cc2)nn1C[N@@H+]1CC[C@@H]2COC[C@H]2C1 ZINC000853591132 661893776 /nfs/dbraw/zinc/89/37/76/661893776.db2.gz ZUHJXOACTTYPEJ-HUUCEWRRSA-N 1 0 377.286 2.942 20 0 GFADRO Clc1nc2c(Br)c[nH]c2c(NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)n1 ZINC000853666331 661896702 /nfs/dbraw/zinc/89/67/02/661896702.db2.gz LYOSEZBZWGOGSA-DTORHVGOSA-N 1 0 386.681 2.649 20 0 GFADRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)N2CC(O)(c3ccc(Br)cc3)C2)C1 ZINC000853822722 661902904 /nfs/dbraw/zinc/90/29/04/661902904.db2.gz KQRHWGXYKUTSQU-CVEARBPZSA-N 1 0 396.329 2.535 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)N2CC(O)(c3ccc(Br)cc3)C2)C1 ZINC000853822725 661903126 /nfs/dbraw/zinc/90/31/26/661903126.db2.gz KQRHWGXYKUTSQU-JKSUJKDBSA-N 1 0 396.329 2.535 20 0 GFADRO C[C@]1(c2nc(CC3CC[NH2+]CC3)no2)CC1(Br)Br ZINC000854131298 661915576 /nfs/dbraw/zinc/91/55/76/661915576.db2.gz JQVVBOWERDAORP-LLVKDONJSA-N 1 0 379.096 2.759 20 0 GFADRO C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1Cc3cc(Br)ccc3O1)C2 ZINC000854734645 661952050 /nfs/dbraw/zinc/95/20/50/661952050.db2.gz ALILZLPCARUZCR-SJLPKXTDSA-N 1 0 379.298 2.697 20 0 GFADRO Cc1csc([C@@](O)(CC(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)C(F)(F)F)n1 ZINC000855166938 661974566 /nfs/dbraw/zinc/97/45/66/661974566.db2.gz TTXROZOWXBMKJP-ABAIWWIYSA-N 1 0 379.448 2.581 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)[C@]2(C)CC2(Br)Br)C1 ZINC000855286736 661983073 /nfs/dbraw/zinc/98/30/73/661983073.db2.gz WPUUTNUCBHXADP-CABZTGNLSA-N 1 0 382.140 2.872 20 0 GFADRO CCc1sc(C(=O)NCCN(C)CCC[NH+](C)C)cc1Br ZINC000855414575 661991174 /nfs/dbraw/zinc/99/11/74/661991174.db2.gz HXTIYDYMZBSWDX-UHFFFAOYSA-N 1 0 376.364 2.686 20 0 GFADRO CCN(C(=O)c1cn(-c2ccccc2Br)nn1)[C@H]1CC[N@H+](CC)C1 ZINC000855490851 661993415 /nfs/dbraw/zinc/99/34/15/661993415.db2.gz RYAVQVZSTCOFLZ-ZDUSSCGKSA-N 1 0 392.301 2.586 20 0 GFADRO Cc1ccc(-n2nc(Br)cc2C(=O)N(C)CC2C[NH+](C)C2)cc1 ZINC000855638445 662002595 /nfs/dbraw/zinc/00/25/95/662002595.db2.gz HKGQIBXBGJTWSN-UHFFFAOYSA-N 1 0 377.286 2.577 20 0 GFADRO CC[N@H+](C)Cc1cc(O[C@@H]2CCN(C(=O)c3scnc3Cl)C2)ccn1 ZINC000856637536 662037714 /nfs/dbraw/zinc/03/77/14/662037714.db2.gz QVQLAXNGZGALHT-CQSZACIVSA-N 1 0 380.901 2.937 20 0 GFADRO CC[N@H+](C)Cc1cc(O[C@H]2CCN(C(=O)c3nc(Cl)cs3)C2)ccn1 ZINC000856627958 662037874 /nfs/dbraw/zinc/03/78/74/662037874.db2.gz RYFGWVVGRQJRQM-AWEZNQCLSA-N 1 0 380.901 2.937 20 0 GFADRO O=C(NCCC[NH+]1CCCCC1)N1CC(O)(c2cccc(Br)c2)C1 ZINC000856830881 662046616 /nfs/dbraw/zinc/04/66/16/662046616.db2.gz AKAQNISCILMKRJ-UHFFFAOYSA-N 1 0 396.329 2.538 20 0 GFADRO O=C(NCC[C@@H]1CC1(Cl)Cl)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000856878866 662049050 /nfs/dbraw/zinc/04/90/50/662049050.db2.gz CWDYAABDIXNUPA-VHDGCEQUSA-N 1 0 378.344 2.637 20 0 GFADRO O=C(NC[C@@H]1[NH2+]CCc2ccccc21)c1cc2c(cc1Br)OCO2 ZINC000857004266 662057751 /nfs/dbraw/zinc/05/77/51/662057751.db2.gz PGFSSUIYIBRJBC-HNNXBMFYSA-N 1 0 389.249 2.795 20 0 GFADRO CCOC(=O)C1CCN(C(=O)C[C@H](C)[NH2+]CC[C@@H]2CC2(Cl)Cl)CC1 ZINC000857065538 662062352 /nfs/dbraw/zinc/06/23/52/662062352.db2.gz QKMCDJWASVAJPD-GXTWGEPZSA-N 1 0 379.328 2.740 20 0 GFADRO C[C@H]([NH3+])CCNC(=O)N(Cc1cccc(Br)c1)C1CCOCC1 ZINC000857108520 662063778 /nfs/dbraw/zinc/06/37/78/662063778.db2.gz FLZNXJIBQGQJRC-ZDUSSCGKSA-N 1 0 384.318 2.877 20 0 GFADRO O=C(NC[C@H]1CCC[N@H+](CC2CC2)C1)c1cccnc1I ZINC000857341606 662075217 /nfs/dbraw/zinc/07/52/17/662075217.db2.gz DYBXJTIPRKFKSI-CYBMUJFWSA-N 1 0 399.276 2.538 20 0 GFADRO CC(C)[N@@H+]1CC[C@H](C(=O)NCC[C@H]2CC2(Cl)Cl)[C@H](c2cnn(C)c2)C1 ZINC000857372273 662076483 /nfs/dbraw/zinc/07/64/83/662076483.db2.gz SCSYQPFZPYDCQM-JYJNAYRXSA-N 1 0 387.355 2.934 20 0 GFADRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)[C@@]2(C)CC2(Br)Br)C1 ZINC000857598289 662082517 /nfs/dbraw/zinc/08/25/17/662082517.db2.gz LZZZUSBNSBBASM-NQBHXWOUSA-N 1 0 394.151 2.825 20 0 GFADRO CC[NH+](CC)CCN(C(=O)/C=C(/C)c1cccs1)[C@H]1CCS(=O)(=O)C1 ZINC000857716169 662088647 /nfs/dbraw/zinc/08/86/47/662088647.db2.gz VFVCPVAAUAZDLZ-KGAUPUERSA-N 1 0 384.567 2.509 20 0 GFADRO [NH3+]CCOc1cccc(NC(=O)c2nc(C3CC3)ncc2Br)c1 ZINC000857764417 662090248 /nfs/dbraw/zinc/09/02/48/662090248.db2.gz RILOXJDIHBSYGJ-UHFFFAOYSA-N 1 0 377.242 2.706 20 0 GFADRO COCO[C@H](C)c1cc(F)c(C[NH2+]CCCNC(C)=O)cc1Br ZINC000858090220 662098361 /nfs/dbraw/zinc/09/83/61/662098361.db2.gz DWTOZFZCXQHYJT-LLVKDONJSA-N 1 0 391.281 2.886 20 0 GFADRO Cn1cc(CNc2ccc(CC[NH+]3CCOCC3)cc2)c(Br)n1 ZINC000858104731 662098940 /nfs/dbraw/zinc/09/89/40/662098940.db2.gz VDJFOWXIYFCWIW-UHFFFAOYSA-N 1 0 379.302 2.669 20 0 GFADRO COCO[C@@H](C)c1cc(F)c(C[NH2+][C@H]2CC(=O)N(C)C2)cc1Br ZINC000858120040 662099774 /nfs/dbraw/zinc/09/97/74/662099774.db2.gz WSRCJRFAEGBOHT-JQWIXIFHSA-N 1 0 389.265 2.590 20 0 GFADRO COc1cc(OC)c(CC[NH2+]Cc2cn(C)nc2Br)c(OC)c1 ZINC000858131853 662100246 /nfs/dbraw/zinc/10/02/46/662100246.db2.gz KWKZINJONBZPRG-UHFFFAOYSA-N 1 0 384.274 2.541 20 0 GFADRO Cn1cc(CNCc2ccc(OCC[NH+]3CCCC3)cc2)c(Br)n1 ZINC000858133744 662100403 /nfs/dbraw/zinc/10/04/03/662100403.db2.gz WRQVSXOUAVHXFS-UHFFFAOYSA-N 1 0 393.329 2.947 20 0 GFADRO CN(CCOCC[NH2+][C@@H]1CC[C@H]2SCCS[C@H]12)C(=O)OC(C)(C)C ZINC000858501004 662113875 /nfs/dbraw/zinc/11/38/75/662113875.db2.gz VKJNRRBSFAOKOW-RBSFLKMASA-N 1 0 376.588 2.839 20 0 GFADRO COC(=O)[C@@H]1CN(c2cc[nH+]c(CO)c2)C[C@H]1c1ccc(Br)cc1 ZINC000858584973 662115456 /nfs/dbraw/zinc/11/54/56/662115456.db2.gz YDMAMZWOIRUGQB-DLBZAZTESA-N 1 0 391.265 2.729 20 0 GFADRO C[C@@H]([NH3+])CN(C)S(=O)(=O)c1csc(-c2cccc(Br)c2)n1 ZINC000858641188 662117607 /nfs/dbraw/zinc/11/76/07/662117607.db2.gz BZTLUZXYEOBXSC-SECBINFHSA-N 1 0 390.328 2.540 20 0 GFADRO O=S(=O)(/C=C\c1cccc(Cl)c1)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000858643547 662117887 /nfs/dbraw/zinc/11/78/87/662117887.db2.gz DZPRCWTUJKJXHG-RLGIIYIFSA-N 1 0 384.929 2.731 20 0 GFADRO COC(=O)Nc1ccc(S(=O)(=O)N[C@H](C)C(C)(C)C[NH+](C)C)cc1Cl ZINC000859057195 662134482 /nfs/dbraw/zinc/13/44/82/662134482.db2.gz CBTAXKQLVJJREH-LLVKDONJSA-N 1 0 391.921 2.773 20 0 GFADRO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)OCc1ccc(Br)cc1 ZINC000859216788 662145634 /nfs/dbraw/zinc/14/56/34/662145634.db2.gz FENKTJCNXUIOPG-AWEZNQCLSA-N 1 0 386.334 2.947 20 0 GFADRO C[C@@H]([NH3+])CN(C)C(=O)Nc1ccc(CCn2cc(Br)cn2)cc1 ZINC000859656897 662171507 /nfs/dbraw/zinc/17/15/07/662171507.db2.gz WQQOFWMTMIUTRH-GFCCVEGCSA-N 1 0 380.290 2.699 20 0 GFADRO C[NH2+]CCOCCN(C)C(=O)Nc1cc2ccccc2nc1Br ZINC000859682503 662172246 /nfs/dbraw/zinc/17/22/46/662172246.db2.gz GOMVOUPHZNIXHB-UHFFFAOYSA-N 1 0 381.274 2.697 20 0 GFADRO COc1ncc(Br)cc1CNC(=O)Nc1cccc(OCC[NH3+])c1 ZINC000859696057 662172923 /nfs/dbraw/zinc/17/29/23/662172923.db2.gz CTNKAIIWHNQCTG-UHFFFAOYSA-N 1 0 395.257 2.512 20 0 GFADRO C[N@H+](CCOCCNC(=O)OC(C)(C)C)Cc1ccc(Br)cn1 ZINC000859859573 662176724 /nfs/dbraw/zinc/17/67/24/662176724.db2.gz XKUCSWAJFGPXHG-UHFFFAOYSA-N 1 0 388.306 2.817 20 0 GFADRO CC(C)[NH+]1CCN(CCCOC(=O)c2cc(Br)cnc2F)CC1 ZINC000860221406 662193064 /nfs/dbraw/zinc/19/30/64/662193064.db2.gz KMMHZHKANGQPRI-UHFFFAOYSA-N 1 0 388.281 2.556 20 0 GFADRO COCC[N@H+](C)CCCC1CCN(C(=O)c2c(Cl)nn(C)c2Cl)CC1 ZINC000860508238 662203568 /nfs/dbraw/zinc/20/35/68/662203568.db2.gz GRCNHXXKNXSOTE-UHFFFAOYSA-N 1 0 391.343 2.938 20 0 GFADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)/C=C\c1csc(C(F)(F)F)c1 ZINC000860915905 662220628 /nfs/dbraw/zinc/22/06/28/662220628.db2.gz KTLGGCKXPLQTHH-DHCBQETCSA-N 1 0 375.460 2.922 20 0 GFADRO COCC[N@@H+]1CCC[C@H]1COC(=O)Cn1nc(C(F)(F)F)c(Cl)c1C ZINC000861036291 662224908 /nfs/dbraw/zinc/22/49/08/662224908.db2.gz IVNMJBOSWBHNJR-NSHDSACASA-N 1 0 383.798 2.518 20 0 GFADRO CO[C@@H]1C[N@H+](C)[C@](C)(COC(=O)[C@H](C)Oc2ccccc2Br)C1 ZINC000861346078 662241397 /nfs/dbraw/zinc/24/13/97/662241397.db2.gz CRTDYTVHLOPYIR-DCGLDWPTSA-N 1 0 386.286 2.869 20 0 GFADRO CO[C@@H]1C[N@H+](C)[C@](C)(COC(=O)c2cccc(I)c2)C1 ZINC000861339823 662241492 /nfs/dbraw/zinc/24/14/92/662241492.db2.gz WWUHMNPXMVADMJ-ZFWWWQNUSA-N 1 0 389.233 2.557 20 0 GFADRO CO[C@@H]1C[N@H+](C)[C@@](C)(COC(=O)[C@H](C)Oc2ccccc2Br)C1 ZINC000861346080 662241534 /nfs/dbraw/zinc/24/15/34/662241534.db2.gz CRTDYTVHLOPYIR-GDZNZVCISA-N 1 0 386.286 2.869 20 0 GFADRO CCCOC[C@H](Cc1cccc(Br)c1)NC(=O)N(C)C[C@H](C)[NH3+] ZINC000861618093 662251635 /nfs/dbraw/zinc/25/16/35/662251635.db2.gz PLQTYBVPIWOUOJ-BBRMVZONSA-N 1 0 386.334 2.775 20 0 GFADRO O=C(NCCC[C@H]1CC1(Cl)Cl)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000861648546 662253144 /nfs/dbraw/zinc/25/31/44/662253144.db2.gz SXLLMVSQAHIVJA-GJZGRUSLSA-N 1 0 378.344 2.761 20 0 GFADRO CNS(=O)(=O)C[C@H]1CCCN(Cc2cc(C)c(F)cc2Br)C1 ZINC000862550619 662291118 /nfs/dbraw/zinc/29/11/18/662291118.db2.gz FWZCAOBDEKAGQQ-LBPRGKRZSA-N 1 0 393.322 2.658 20 0 GFADRO [NH3+]C[C@H]1CN(CCS(=O)(=O)c2ccc(Cl)cc2)CC[C@H]1C(F)(F)F ZINC000863553186 662336352 /nfs/dbraw/zinc/33/63/52/662336352.db2.gz WIPNFUWYZOOTLG-SMDDNHRTSA-N 1 0 384.851 2.573 20 0 GFADRO CC(C)(C)n1cc(Br)c(C(=O)N[C@@H]2[C@@H]3CCC[NH2+][C@H]3C2(C)C)n1 ZINC000864088671 662354295 /nfs/dbraw/zinc/35/42/95/662354295.db2.gz HHXXLLNIYFLQQK-LERXQTSPSA-N 1 0 383.334 2.907 20 0 GFADRO O=C(c1cc2ccnc(Cl)c2s1)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000864631845 662381996 /nfs/dbraw/zinc/38/19/96/662381996.db2.gz ZTMDPMKYUNZYEK-UHFFFAOYSA-N 1 0 378.929 2.803 20 0 GFADRO O=C(NC1CC[NH+](CC2CC2)CC1)c1cc(Br)cn2ccnc12 ZINC000864936853 662391768 /nfs/dbraw/zinc/39/17/68/662391768.db2.gz VGGMLFUPPOIBSL-UHFFFAOYSA-N 1 0 377.286 2.701 20 0 GFADRO COCC[N@@H+]1CCCN(C(=O)[C@H]2[C@@H]3c4cc(Br)ccc4C[C@H]23)CC1 ZINC000865010838 662394892 /nfs/dbraw/zinc/39/48/92/662394892.db2.gz WHGOPLLSGMQVLV-RCCFBDPRSA-N 1 0 393.325 2.516 20 0 GFADRO C[NH+](C)CCn1cc(NC(=O)[C@@H]2[C@@H]3Cc4ccc(Br)cc4[C@@H]32)cn1 ZINC000865084975 662397977 /nfs/dbraw/zinc/39/79/77/662397977.db2.gz JCWFGEAPVWELKV-IXDOHACOSA-N 1 0 389.297 2.732 20 0 GFADRO CSCC[C@@H]1NC(=S)N(C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)C1=O ZINC000865212031 662404486 /nfs/dbraw/zinc/40/44/86/662404486.db2.gz FJAJCZZEWJBNRI-XIRDDKMYSA-N 1 0 377.579 2.593 20 0 GFADRO Fc1cc(OC(F)F)ccc1C[NH2+]C[C@]1(N2CCOCC2)CCSC1 ZINC000865426310 662420918 /nfs/dbraw/zinc/42/09/18/662420918.db2.gz KBFOABOJSWREPU-QGZVFWFLSA-N 1 0 376.444 2.725 20 0 GFADRO COc1ncc(Br)cc1C[NH2+]CCCNC(=O)c1occc1C ZINC000865471041 662423614 /nfs/dbraw/zinc/42/36/14/662423614.db2.gz NSPMYDKHBRSCFE-UHFFFAOYSA-N 1 0 382.258 2.664 20 0 GFADRO CNC(=O)c1cccc(CC[NH2+]Cc2cc(Br)cnc2OC)c1 ZINC000865473856 662423622 /nfs/dbraw/zinc/42/36/22/662423622.db2.gz RZBNHFWZZVBKQS-UHFFFAOYSA-N 1 0 378.270 2.545 20 0 GFADRO COC(C)(C)c1nsc(Sc2nnc(C3CC[NH2+]CC3)n2C2CC2)n1 ZINC000865543872 662428150 /nfs/dbraw/zinc/42/81/50/662428150.db2.gz CBLZHPQTKFHHGI-UHFFFAOYSA-N 1 0 380.543 2.964 20 0 GFADRO Cn1ncc2cc(C[NH2+][C@](C)(CO)c3ccc(Br)cc3)cnc21 ZINC000865564551 662429528 /nfs/dbraw/zinc/42/95/28/662429528.db2.gz GKQQFUFVIOQQBL-QGZVFWFLSA-N 1 0 375.270 2.728 20 0 GFADRO COc1ncc(Br)cc1C[NH2+]C[C@@H]1c2ccccc2C(=O)N1C ZINC000865643826 662433872 /nfs/dbraw/zinc/43/38/72/662433872.db2.gz TZSLDYRVDMMERH-OAHLLOKOSA-N 1 0 376.254 2.769 20 0 GFADRO C[NH+]1CCC(N2CC[C@@H](NC(=O)c3cc4c(ccnc4Cl)s3)C2)CC1 ZINC000865751326 662441284 /nfs/dbraw/zinc/44/12/84/662441284.db2.gz XXXSIAUMXFOPJU-GFCCVEGCSA-N 1 0 378.929 2.848 20 0 GFADRO Cc1nn(C)c(C[NH2+]C[C@H]2C[C@H](NC(=O)OC(C)(C)C)C2)c1Br ZINC000865792266 662443868 /nfs/dbraw/zinc/44/38/68/662443868.db2.gz CBYSKFVUSFTQIT-HAQNSBGRSA-N 1 0 387.322 2.884 20 0 GFADRO CS(=O)(=O)c1cccc(C[NH2+][C@@H]2COc3cccc(Br)c3C2)c1 ZINC000865821087 662445775 /nfs/dbraw/zinc/44/57/75/662445775.db2.gz SSLRIRIMHJWDPZ-ZDUSSCGKSA-N 1 0 396.306 2.946 20 0 GFADRO C[NH+](C)C1(C)CCC(Nc2ccc(Br)cc2S(N)(=O)=O)CC1 ZINC000866147670 662461658 /nfs/dbraw/zinc/46/16/58/662461658.db2.gz URSCJZBUINKWHY-UHFFFAOYSA-N 1 0 390.347 2.771 20 0 GFADRO CC(C)(C[NH2+]C1CC(c2cccc(Br)c2)C1)CS(N)(=O)=O ZINC000866572809 662481047 /nfs/dbraw/zinc/48/10/47/662481047.db2.gz QXQHSRHZAVSDCI-UHFFFAOYSA-N 1 0 375.332 2.599 20 0 GFADRO C/C(=C\c1ccc(Br)o1)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000866609451 662483978 /nfs/dbraw/zinc/48/39/78/662483978.db2.gz KLPYBARJJWPXKX-IEZBTEQYSA-N 1 0 383.286 2.815 20 0 GFADRO CC(C)(C)[C@@]1(C[NH3+])CCN(Cc2nnnn2-c2ccccc2Br)C1 ZINC000866707652 662490858 /nfs/dbraw/zinc/49/08/58/662490858.db2.gz VLUIKYNKMAZTPB-QGZVFWFLSA-N 1 0 393.333 2.622 20 0 GFADRO CC[C@H]1CN(S(=O)(=O)c2oc3ccccc3c2Br)CC[C@H]1[NH3+] ZINC000866758840 662495235 /nfs/dbraw/zinc/49/52/35/662495235.db2.gz XZIPNKANPCBUFD-CMPLNLGQSA-N 1 0 387.299 2.943 20 0 GFADRO O=S(=O)(c1ccc2onc(Cl)c2c1)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000866775662 662497155 /nfs/dbraw/zinc/49/71/55/662497155.db2.gz LFTSZJBDTUXJGT-CYBMUJFWSA-N 1 0 383.901 2.882 20 0 GFADRO O=S(=O)(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(OC(F)F)c(Cl)c1 ZINC000866808841 662500541 /nfs/dbraw/zinc/50/05/41/662500541.db2.gz AWBRULXAMKDZPK-JGPRNRPPSA-N 1 0 380.844 2.750 20 0 GFADRO COc1cc(Cl)c(S(=O)(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1Cl ZINC000866810026 662500742 /nfs/dbraw/zinc/50/07/42/662500742.db2.gz QFACNCWHFBZZQJ-JGPRNRPPSA-N 1 0 379.309 2.811 20 0 GFADRO CN(C1CC[NH2+]CC1)S(=O)(=O)N1CCC(Cc2ccc(Cl)cc2)CC1 ZINC000866810435 662500748 /nfs/dbraw/zinc/50/07/48/662500748.db2.gz RVYLMILYERKHNC-UHFFFAOYSA-N 1 0 385.961 2.523 20 0 GFADRO C[C@@H](NS(=O)(=O)c1cc(Br)sc1Cl)C1CC[NH2+]CC1 ZINC000866811776 662500903 /nfs/dbraw/zinc/50/09/03/662500903.db2.gz LKMBTJCTTPYSEE-SSDOTTSWSA-N 1 0 387.752 2.830 20 0 GFADRO CC(C)(C)[C@]1(C[NH3+])CCN(S(=O)(=O)c2cc(F)ccc2Br)C1 ZINC000866815165 662501422 /nfs/dbraw/zinc/50/14/22/662501422.db2.gz LQMXZTNSIDFQIT-HNNXBMFYSA-N 1 0 393.322 2.974 20 0 GFADRO O=S(=O)(c1ccc(Br)c(Cl)c1)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000866827416 662502405 /nfs/dbraw/zinc/50/24/05/662502405.db2.gz MLUHLDSXDJWFOD-QWHCGFSZSA-N 1 0 379.707 2.618 20 0 GFADRO CCC[N@H+](C)C[C@H]1CCN(S(=O)(=O)c2cc3nc(Cl)ncc3s2)C1 ZINC000866892166 662506642 /nfs/dbraw/zinc/50/66/42/662506642.db2.gz GGCORZYIPGTAFC-LLVKDONJSA-N 1 0 388.946 2.697 20 0 GFADRO Cc1ccc(Br)c(CS(=O)(=O)N(C)CCCC[NH+](C)C)c1 ZINC000866920672 662508751 /nfs/dbraw/zinc/50/87/51/662508751.db2.gz VALIXUYNUWWSEF-UHFFFAOYSA-N 1 0 377.348 2.861 20 0 GFADRO C[NH+](C)CCCOC1CCN(S(=O)(=O)c2cc(Cl)cnc2Cl)CC1 ZINC000866920715 662508765 /nfs/dbraw/zinc/50/87/65/662508765.db2.gz VZYOBUDQVLLHEG-UHFFFAOYSA-N 1 0 396.340 2.510 20 0 GFADRO CC[NH+](CC)CCCC1CCN(S(=O)(=O)c2ccc(F)nc2F)CC1 ZINC000867086542 662521695 /nfs/dbraw/zinc/52/16/95/662521695.db2.gz PKNQFPGHPCDWCQ-UHFFFAOYSA-N 1 0 375.485 2.883 20 0 GFADRO C[C@@H]1CN(S(=O)(=O)c2cc(Cl)cnc2Cl)CC[N@@H+](C2CCC2)C1 ZINC000867298146 662539923 /nfs/dbraw/zinc/53/99/23/662539923.db2.gz AMOMOLWYOFPSRE-NSHDSACASA-N 1 0 378.325 2.883 20 0 GFADRO CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc(NC(=O)OC)c(Cl)c1 ZINC000867349542 662544268 /nfs/dbraw/zinc/54/42/68/662544268.db2.gz SDSXWRZIWDXQGC-UHFFFAOYSA-N 1 0 389.905 2.623 20 0 GFADRO COc1ccsc1S(=O)(=O)NCC1(c2ccccc2)CC[NH+](C)CC1 ZINC000867705838 662568502 /nfs/dbraw/zinc/56/85/02/662568502.db2.gz MQZOMZONNJWBEB-UHFFFAOYSA-N 1 0 380.535 2.699 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(S(=O)(=O)c3oc4ccccc4c3Br)CC[C@H]21 ZINC000867811057 662578909 /nfs/dbraw/zinc/57/89/09/662578909.db2.gz NBADHVNCCRSPDK-DGCLKSJQSA-N 1 0 399.310 2.910 20 0 GFADRO C[C@@H]1C[N@H+](CCCNC(=O)c2nc(Br)sc2Cl)CCCO1 ZINC000867826451 662580363 /nfs/dbraw/zinc/58/03/63/662580363.db2.gz KIKCXHLBTSMXFF-SECBINFHSA-N 1 0 396.738 2.790 20 0 GFADRO C[NH2+][C@@H]1CCN(C(=O)c2c(F)ccc(I)c2Cl)C1 ZINC000867965471 662589787 /nfs/dbraw/zinc/58/97/87/662589787.db2.gz CFUUBIFBBVCRBT-SSDOTTSWSA-N 1 0 382.604 2.518 20 0 GFADRO Cc1cc2c(CC(=O)NC[C@@H](N3CC[NH2+]CC3)C(F)(F)F)csc2s1 ZINC000867972667 662590163 /nfs/dbraw/zinc/59/01/63/662590163.db2.gz HQELXUYPHGGKGC-CYBMUJFWSA-N 1 0 391.484 2.766 20 0 GFADRO Cc1c(C(=O)NCc2cc(Cl)cc(Cl)c2F)nnn1C1CC[NH2+]CC1 ZINC000867999655 662590799 /nfs/dbraw/zinc/59/07/99/662590799.db2.gz JHTPVWHJWVXLBX-UHFFFAOYSA-N 1 0 386.258 2.887 20 0 GFADRO C[C@@H](NC(=O)c1cnn(-c2cccc(Br)c2)c1)C1CC[NH2+]CC1 ZINC000868002858 662591059 /nfs/dbraw/zinc/59/10/59/662591059.db2.gz GLRYYPOCPXCCOD-GFCCVEGCSA-N 1 0 377.286 2.753 20 0 GFADRO O=C([C@@H]1[C@@H]2Cc3ccc(Br)cc3[C@@H]21)N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000868037435 662592033 /nfs/dbraw/zinc/59/20/33/662592033.db2.gz SKJJGNRFPHDNDV-IDXRPEPOSA-N 1 0 375.310 2.935 20 0 GFADRO [NH3+][C@H]1C[C@@H](CNC(=O)Nc2cc(I)ccc2Cl)C1 ZINC000868133835 662595659 /nfs/dbraw/zinc/59/56/59/662595659.db2.gz YIEFMPIIOXXIBD-OTSSQURYSA-N 1 0 379.629 2.803 20 0 GFADRO COCCOc1ccc(Br)cc1NC(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000868143962 662596212 /nfs/dbraw/zinc/59/62/12/662596212.db2.gz BYTXKANHITYEBV-ZFWWWQNUSA-N 1 0 398.301 2.833 20 0 GFADRO COc1cc(OC)c(NC(=O)N2C3CCC2(C[NH3+])CC3)cc1Br ZINC000868150231 662596418 /nfs/dbraw/zinc/59/64/18/662596418.db2.gz GGSSGDZNBPKPKF-UHFFFAOYSA-N 1 0 384.274 2.954 20 0 GFADRO CN1CC[NH+](C2CCN(C(=O)NCc3c(Cl)cccc3Cl)CC2)CC1 ZINC000868170829 662597653 /nfs/dbraw/zinc/59/76/53/662597653.db2.gz MZWSMLZJWNQRJI-UHFFFAOYSA-N 1 0 385.339 2.915 20 0 GFADRO [NH3+]CCCOCCNC(=O)Nc1ccc(Br)c(Br)c1 ZINC000868202565 662598633 /nfs/dbraw/zinc/59/86/33/662598633.db2.gz AECRACMPXIHMPU-UHFFFAOYSA-N 1 0 395.095 2.699 20 0 GFADRO CC(=O)N[C@H](C(=O)NCCCC[N@@H+](C)C1CC1)c1cccc(Br)c1 ZINC000868822738 662620849 /nfs/dbraw/zinc/62/08/49/662620849.db2.gz MYGNUIOVVYHJBV-KRWDZBQOSA-N 1 0 396.329 2.617 20 0 GFADRO CC(C)[NH+]1CCC(CCNC(=O)N2CCn3ncc(Br)c3C2)CC1 ZINC000868947650 662625704 /nfs/dbraw/zinc/62/57/04/662625704.db2.gz BRNHNQZSJJNDNV-UHFFFAOYSA-N 1 0 398.349 2.681 20 0 GFADRO C[NH+](C)CCC[C@H]1CN(C(=O)c2cc(F)c(Br)cc2F)CCO1 ZINC000869313513 662641216 /nfs/dbraw/zinc/64/12/16/662641216.db2.gz IYVVRCMEZDQZKG-NSHDSACASA-N 1 0 391.256 2.910 20 0 GFADRO Cn1cc(Br)c(C(=O)NCC2(c3ccccc3)CC[NH+](C)CC2)n1 ZINC000870188192 662677774 /nfs/dbraw/zinc/67/77/74/662677774.db2.gz SPKLXGZJIQSVRO-UHFFFAOYSA-N 1 0 391.313 2.576 20 0 GFADRO CC(=O)N[C@@H](C(=O)OC[C@@H]1CC[N@H+](C)[C@@H]1C)c1cccc(Br)c1 ZINC000870453420 662690762 /nfs/dbraw/zinc/69/07/62/662690762.db2.gz MGAZUAKAQUOMSD-DIOULYMOSA-N 1 0 383.286 2.510 20 0 GFADRO CO[C@H]1C[N@H+](C)[C@@](C)(COC(=O)c2ccc3cncc(Br)c3n2)C1 ZINC000870487494 662692000 /nfs/dbraw/zinc/69/20/00/662692000.db2.gz PFBFMHGEFSYIIX-SJKOYZFVSA-N 1 0 394.269 2.658 20 0 GFADRO CC(C)N(C)C(=O)C1CCN(C(=O)[C@@H]([NH3+])c2cccc(Br)c2)CC1 ZINC000870865386 662703990 /nfs/dbraw/zinc/70/39/90/662703990.db2.gz RHZYFRHFLPMGBQ-INIZCTEOSA-N 1 0 396.329 2.554 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)CCC12CC(C1)C[NH2+]2 ZINC000870876691 662704394 /nfs/dbraw/zinc/70/43/94/662704394.db2.gz LACRJMHTHGWDBE-UHFFFAOYSA-N 1 0 394.313 2.735 20 0 GFADRO C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)CC1 ZINC000870894377 662707096 /nfs/dbraw/zinc/70/70/96/662707096.db2.gz QWGPWVGDZVROEG-PZFZOXMESA-N 1 0 392.341 2.782 20 0 GFADRO COCCNc1ccccc1CNC(=O)[C@@H]([NH3+])c1cccc(Br)c1 ZINC000870903147 662707395 /nfs/dbraw/zinc/70/73/95/662707395.db2.gz SPZZIKFVFDDILT-KRWDZBQOSA-N 1 0 392.297 2.824 20 0 GFADRO CCCN(C(=O)[C@H](NC(C)=O)c1cccc(Br)c1)C1CC[NH2+]CC1 ZINC000870938365 662709130 /nfs/dbraw/zinc/70/91/30/662709130.db2.gz MRLFDIHLQXLSKS-QGZVFWFLSA-N 1 0 396.329 2.617 20 0 GFADRO [NH3+][C@H](CNC(=O)c1c(F)ccc(I)c1Cl)C1CC1 ZINC000870939093 662709289 /nfs/dbraw/zinc/70/92/89/662709289.db2.gz KGFRRWFRVKYFQR-SECBINFHSA-N 1 0 382.604 2.551 20 0 GFADRO O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1[C@@H]2c3cc(Br)ccc3C[C@H]12 ZINC000870973076 662711849 /nfs/dbraw/zinc/71/18/49/662711849.db2.gz ITNSINFMFMTLTJ-MIWDRJHESA-N 1 0 375.310 2.982 20 0 GFADRO Cc1cc([C@@H]([NH3+])CC(=O)NCc2ncc(Br)s2)cc(Cl)n1 ZINC000871012519 662712928 /nfs/dbraw/zinc/71/29/28/662712928.db2.gz WYVCZHJBSCWQEF-VIFPVBQESA-N 1 0 389.706 2.969 20 0 GFADRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2cccc(Cl)c2Cl)C[C@H]1C(F)(F)F ZINC000871811840 662734952 /nfs/dbraw/zinc/73/49/52/662734952.db2.gz SMZTXQYBDWUCSV-HTQZYQBOSA-N 1 0 377.215 2.751 20 0 GFADRO [NH3+]C[C@@H]1CN(S(=O)(=O)Cc2cc(Cl)cc(Cl)c2)C[C@H]1C(F)(F)F ZINC000871813755 662735224 /nfs/dbraw/zinc/73/52/24/662735224.db2.gz KKLPVFCFJZJVND-BXKDBHETSA-N 1 0 391.242 2.892 20 0 GFADRO [NH3+]C[C@H]1CN(S(=O)(=O)c2ccc(Cl)cc2Cl)C[C@@H]1C(F)(F)F ZINC000871813983 662735319 /nfs/dbraw/zinc/73/53/19/662735319.db2.gz NFMPSKZCSYOAIY-CBAPKCEASA-N 1 0 377.215 2.751 20 0 GFADRO Brc1cccc([C@H]([NH2+]C[C@@H]2CN3CCC[C@H]3CO2)[C@@H]2CCOC2)c1 ZINC000872034507 662754309 /nfs/dbraw/zinc/75/43/09/662754309.db2.gz PIBRBHPOCDRAPE-LULLPPNCSA-N 1 0 395.341 2.980 20 0 GFADRO CCNC(=O)N1CC[C@H]([NH2+][C@H](c2cccc(Br)c2)[C@H]2CCOC2)C1 ZINC000872049963 662754672 /nfs/dbraw/zinc/75/46/72/662754672.db2.gz XNZFVPXFMJITSP-BHYGNILZSA-N 1 0 396.329 2.920 20 0 GFADRO O=C1C[C@H]([NH2+][C@@H](c2cccc(Br)c2)[C@@H]2CCOC2)CN1C1CC1 ZINC000872050404 662754920 /nfs/dbraw/zinc/75/49/20/662754920.db2.gz ZWKRZCMKIZUNIW-XUWXXGDYSA-N 1 0 379.298 2.880 20 0 GFADRO OCCCN1CCC[C@H]([NH2+][C@H](c2cccc(Br)c2)[C@H]2CCOC2)C1 ZINC000872074420 662755304 /nfs/dbraw/zinc/75/53/04/662755304.db2.gz DPMQNXZRMCLDHD-YTQUADARSA-N 1 0 397.357 2.963 20 0 GFADRO O=C(NCC[NH2+][C@H]1CCOC2(CCCC2)C1)c1ccc(Br)cn1 ZINC000872085041 662755623 /nfs/dbraw/zinc/75/56/23/662755623.db2.gz MRFASLQNXOSDNM-AWEZNQCLSA-N 1 0 382.302 2.655 20 0 GFADRO C[C@H]([NH2+]CC1C[C@H]2CC[C@@H](C1)S2(=O)=O)c1cc(Br)ncc1F ZINC000872118752 662756291 /nfs/dbraw/zinc/75/62/91/662756291.db2.gz HTRLQTFWKLTHKW-YEJSDXFRSA-N 1 0 391.306 2.990 20 0 GFADRO O=S1(=O)CC[C@H]([NH2+]C[C@@H](O)Cc2cccc(Cl)c2)c2cc(F)ccc21 ZINC000872128997 662756443 /nfs/dbraw/zinc/75/64/43/662756443.db2.gz QCJZSYNSZUAODO-RDJZCZTQSA-N 1 0 383.872 2.891 20 0 GFADRO CC(=O)N[C@H](c1nc(C2CC[NH2+]CC2)no1)c1cccc(Br)c1 ZINC000872171877 662757430 /nfs/dbraw/zinc/75/74/30/662757430.db2.gz VMKBXVKMVGSQQG-AWEZNQCLSA-N 1 0 379.258 2.525 20 0 GFADRO CC(=O)c1cccc(OC[C@@H](O)C[NH2+]Cc2ccc(Br)cn2)c1 ZINC000872234344 662758619 /nfs/dbraw/zinc/75/86/19/662758619.db2.gz OYDUFHOUEITJHF-INIZCTEOSA-N 1 0 379.254 2.576 20 0 GFADRO CCOC1CC2(C[C@H]2[NH2+]C[C@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000872252165 662759332 /nfs/dbraw/zinc/75/93/32/662759332.db2.gz XGFYLYACSCQQES-MHABSNSOSA-N 1 0 388.277 2.875 20 0 GFADRO C[NH+](C)C[C@H]1CCN(S(=O)(=O)CCCc2ccc(C(F)(F)F)cc2)C1 ZINC000872449876 662767911 /nfs/dbraw/zinc/76/79/11/662767911.db2.gz UDMSSBQOBYLXPN-OAHLLOKOSA-N 1 0 378.460 2.851 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(CN3CC[C@H](c4cccc(Br)c4)C3=O)CC[C@H]21 ZINC000872724258 662786581 /nfs/dbraw/zinc/78/65/81/662786581.db2.gz STZRRDZQABFISA-KBAYOESNSA-N 1 0 392.341 2.749 20 0 GFADRO Fc1cccc(C[NH2+]CCCOC[C@@H]2CCOC2)c1I ZINC000873059501 662797832 /nfs/dbraw/zinc/79/78/32/662797832.db2.gz SHPZCKMNMBFOAR-LBPRGKRZSA-N 1 0 393.240 2.963 20 0 GFADRO C[C@@H](CO[C@H]1CCOC1)[NH2+]Cc1cccc(F)c1I ZINC000873074649 662798829 /nfs/dbraw/zinc/79/88/29/662798829.db2.gz OAFVXTLAILVJOY-JQWIXIFHSA-N 1 0 379.213 2.714 20 0 GFADRO NC(=O)C[C@@H]([NH2+]Cc1cccc(Cl)c1Br)C1CCOCC1 ZINC000873097845 662799618 /nfs/dbraw/zinc/79/96/18/662799618.db2.gz XELAQUVTMKCAMT-CYBMUJFWSA-N 1 0 375.694 2.863 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N(C)CCCCCC[NH3+])c(Br)c1 ZINC000873110789 662800190 /nfs/dbraw/zinc/80/01/90/662800190.db2.gz ZWSMCHWDXCXJHC-UHFFFAOYSA-N 1 0 384.318 2.982 20 0 GFADRO [NH3+]C[C@H]1CN(Cc2cc(Br)cc3c2OCC3)C[C@H]1C(F)(F)F ZINC000873227295 662804160 /nfs/dbraw/zinc/80/41/60/662804160.db2.gz FSEJAUORUQDMLR-WCQYABFASA-N 1 0 379.220 2.953 20 0 GFADRO Cc1cc(Br)cn2c(CN3C[C@@H](C[NH3+])[C@H](C(F)(F)F)C3)cnc12 ZINC000873227043 662804176 /nfs/dbraw/zinc/80/41/76/662804176.db2.gz BHSXSBYUGHWEEU-ZWNOBZJWSA-N 1 0 391.235 2.974 20 0 GFADRO CCS(=O)(=O)c1c(Cl)cccc1CN1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000873227947 662804323 /nfs/dbraw/zinc/80/43/23/662804323.db2.gz NGYJRGMDAARUMZ-NWDGAFQWSA-N 1 0 384.851 2.703 20 0 GFADRO O=C(Nc1cccc(F)c1I)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000873314531 662805227 /nfs/dbraw/zinc/80/52/27/662805227.db2.gz NYICEBCIHIUOME-BXUZGUMPSA-N 1 0 389.212 2.836 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)Nc2nc(CC(F)(F)F)cs2)C[C@@H]1C(F)(F)F ZINC000873329162 662805668 /nfs/dbraw/zinc/80/56/68/662805668.db2.gz UCRFDPRYLLSEHZ-XPUUQOCRSA-N 1 0 376.326 2.849 20 0 GFADRO C[C@]12C[NH2+]C[C@H]1CN(C(=O)Nc1ccc(I)cc1F)C2 ZINC000873331878 662805712 /nfs/dbraw/zinc/80/57/12/662805712.db2.gz CXGVJKXINXSZAG-LKFCYVNXSA-N 1 0 389.212 2.504 20 0 GFADRO CCn1ncc(C(=O)NCc2ccc(OCC[NH+](C)C)cc2)c1Br ZINC000874321221 662828905 /nfs/dbraw/zinc/82/89/05/662828905.db2.gz HJAVZNUXANPGOP-UHFFFAOYSA-N 1 0 395.301 2.536 20 0 GFADRO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)c1cc(Br)cc2c1OCCO2 ZINC000874825029 662837451 /nfs/dbraw/zinc/83/74/51/662837451.db2.gz NOJQYYTUVDDFFP-ZIAGYGMSSA-N 1 0 381.270 2.529 20 0 GFADRO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)NCc1ncc(Br)s1 ZINC000875132887 662842320 /nfs/dbraw/zinc/84/23/20/662842320.db2.gz FOTBOCXZRZGBPL-ZDUSSCGKSA-N 1 0 397.342 2.878 20 0 GFADRO C[NH+]1CCC(n2cc(NC(=O)N[C@@H]3CC[C@@H]4SCCS[C@H]34)cn2)CC1 ZINC000875434985 662845921 /nfs/dbraw/zinc/84/59/21/662845921.db2.gz NRYVHTRJGNISLS-OWCLPIDISA-N 1 0 381.571 2.651 20 0 GFADRO Cc1cnc(NC(=O)[C@@H]2CC[N@@H+](C)C[C@@H]2c2cnn(C)c2)c(Br)c1 ZINC000875493342 662846827 /nfs/dbraw/zinc/84/68/27/662846827.db2.gz DQCHKMJEHVOAFG-ZIAGYGMSSA-N 1 0 392.301 2.560 20 0 GFADRO COC[C@H](NC(=O)N1CC[C@H]([NH+]2CC=CC2)C1)c1cccc(Br)c1 ZINC000876232927 662857644 /nfs/dbraw/zinc/85/76/44/662857644.db2.gz UFNGBMYMBCDDFF-IRXDYDNUSA-N 1 0 394.313 2.792 20 0 GFADRO O=C(N[C@@H]1[C@@H]2Cc3ccc(Br)cc3[C@@H]21)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000876261166 662858155 /nfs/dbraw/zinc/85/81/55/662858155.db2.gz CPFIPYQLNOTMOJ-XOYOTBSWSA-N 1 0 388.309 2.743 20 0 GFADRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)NCc1ncc(Br)s1 ZINC000876286393 662859025 /nfs/dbraw/zinc/85/90/25/662859025.db2.gz DFIRWAASPLPCHH-JTQLQIEISA-N 1 0 375.336 2.777 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CN(C(=O)C2(c3cc(Cl)cc(Br)c3)CC2)CCO1 ZINC000876543249 662862633 /nfs/dbraw/zinc/86/26/33/662862633.db2.gz IRHAWIFHWDVXEC-HZMBPMFUSA-N 1 0 387.705 2.709 20 0 GFADRO COc1cc(CNC(=O)/C=C\[C@@H]2CCC[NH2+]C2)cc(Br)c1OC ZINC000876637552 662864049 /nfs/dbraw/zinc/86/40/49/662864049.db2.gz ODIXIYAVZGFDHM-FJOGCWAESA-N 1 0 383.286 2.638 20 0 GFADRO CC[C@H](CNC(=O)c1c(C[NH3+])cnn1C)Cc1cccc(Br)c1 ZINC000876673010 662864503 /nfs/dbraw/zinc/86/45/03/662864503.db2.gz IDWKWUNVADMUGA-LBPRGKRZSA-N 1 0 379.302 2.640 20 0 GFADRO CC(C)n1ncc(C(=O)Nc2nc3c(s2)C[C@@H]([NH3+])CC3)c1Br ZINC000876849886 662867349 /nfs/dbraw/zinc/86/73/49/662867349.db2.gz BNOLVAZSYMIZCL-QMMMGPOBSA-N 1 0 384.303 2.751 20 0 GFADRO C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)NCc1noc(-c2cccc(Br)c2)n1 ZINC000876910692 662867904 /nfs/dbraw/zinc/86/79/04/662867904.db2.gz JKBGQHLQRXJYFD-SNINOXOHSA-N 1 0 391.269 2.527 20 0 GFADRO [NH3+][C@H]1CCO[C@H](C2CCN(C(=O)C(=O)c3cc(Cl)cc(Cl)c3)CC2)C1 ZINC000876921245 662868117 /nfs/dbraw/zinc/86/81/17/662868117.db2.gz MYWYHHNLBMBIJT-HOTGVXAUSA-N 1 0 385.291 2.921 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)c2cnc(-c3ccccc3Br)s2)CCCO1 ZINC000876920417 662868145 /nfs/dbraw/zinc/86/81/45/662868145.db2.gz QQAJONSMXVDDHX-NSHDSACASA-N 1 0 396.310 2.762 20 0 GFADRO CC(C)n1ncc(C(=O)N2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)c1Br ZINC000876944304 662868441 /nfs/dbraw/zinc/86/84/41/662868441.db2.gz KHLFTAQSOXVHQK-GUTXKFCHSA-N 1 0 399.333 2.585 20 0 GFADRO Cc1cc([C@@H]([NH3+])CC(=O)NC[C@@H](n2cccn2)C(F)(F)F)cc(Cl)n1 ZINC000876991102 662869305 /nfs/dbraw/zinc/86/93/05/662869305.db2.gz HFVMGHPOVLLALW-NWDGAFQWSA-N 1 0 375.782 2.550 20 0 GFADRO CCS(=O)(=O)CC[NH2+][C@H]1CCN(C)[C@H](c2ccc(Br)cc2)C1 ZINC000877005600 662869495 /nfs/dbraw/zinc/86/94/95/662869495.db2.gz IWWLTYHQFPZILK-HOTGVXAUSA-N 1 0 389.359 2.609 20 0 GFADRO C[C@H](NC(=O)c1[nH]nc2c1C[NH2+]CC2)c1cc(F)c(Br)cc1F ZINC000876999917 662869516 /nfs/dbraw/zinc/86/95/16/662869516.db2.gz HOYZZYCJWOXVGW-ZETCQYMHSA-N 1 0 385.212 2.587 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)c2cc(F)cc3[nH]c(=S)[nH]c32)CC[C@H]1C(F)(F)F ZINC000877018183 662869700 /nfs/dbraw/zinc/86/97/00/662869700.db2.gz SUDJWXUGALBBBW-GMSGAONNSA-N 1 0 376.379 2.590 20 0 GFADRO [NH3+]CC1(NC(=O)c2ccc(OC(F)(F)F)cc2Br)CCOCC1 ZINC000877044102 662870098 /nfs/dbraw/zinc/87/00/98/662870098.db2.gz VHIVQLYKPPPUDE-UHFFFAOYSA-N 1 0 397.191 2.585 20 0 GFADRO C[C@@H]1CC[C@H](NC(=O)c2c(F)ccc(I)c2Cl)C[NH2+]1 ZINC000877045945 662870213 /nfs/dbraw/zinc/87/02/13/662870213.db2.gz GZZGNQCDGUAQRQ-SFYZADRCSA-N 1 0 396.631 2.954 20 0 GFADRO COC(=O)c1ccc(C[NH2+]C[C@@H](CO)Cc2ccco2)cc1Br ZINC000877093638 662870992 /nfs/dbraw/zinc/87/09/92/662870992.db2.gz TTXCNUPPQQAIOR-ZDUSSCGKSA-N 1 0 382.254 2.770 20 0 GFADRO C[C@H]([NH3+])CN(C)C(=O)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000877096247 662871014 /nfs/dbraw/zinc/87/10/14/662871014.db2.gz APWMQKCRJVWPRD-JTQLQIEISA-N 1 0 378.826 2.776 20 0 GFADRO CC(C)n1ncc(C(=O)N2CCOc3ccc(C[NH3+])cc32)c1Br ZINC000877121192 662871443 /nfs/dbraw/zinc/87/14/43/662871443.db2.gz QCMAKTKTCIBIQG-UHFFFAOYSA-N 1 0 379.258 2.724 20 0 GFADRO O=C([C@@H](F)[C@H]1CC[NH2+]C1)N1CC2(CCOCC2)c2ccc(Br)cc21 ZINC000877139734 662871651 /nfs/dbraw/zinc/87/16/51/662871651.db2.gz YEEGLOZTESACFX-LRDDRELGSA-N 1 0 397.288 2.792 20 0 GFADRO O=C(NCc1cccc2c1CC[NH2+]C2)c1sc(N2CCCC2)nc1Cl ZINC000877140119 662871715 /nfs/dbraw/zinc/87/17/15/662871715.db2.gz NHMCFCXJAIFHEF-UHFFFAOYSA-N 1 0 376.913 2.972 20 0 GFADRO COC[C@H](NC(=O)[C@]1(C(F)(F)F)CC[NH2+]C1)c1cccc(Br)c1 ZINC000877263766 662872698 /nfs/dbraw/zinc/87/26/98/662872698.db2.gz YBBKIHMSDUNSKB-JSGCOSHPSA-N 1 0 395.219 2.795 20 0 GFADRO O=C(c1cn(-c2ccc(Br)cc2)cn1)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000877276199 662872902 /nfs/dbraw/zinc/87/29/02/662872902.db2.gz DHVUUPYKLMYNRR-GDBMZVCRSA-N 1 0 375.270 2.601 20 0 GFADRO O=C([C@@H]1CCN(c2cc(Cl)ccc2Cl)C1=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000877280385 662873087 /nfs/dbraw/zinc/87/30/87/662873087.db2.gz HEUJZOPGJMADCC-NWANDNLSSA-N 1 0 382.291 2.699 20 0 GFADRO Cc1c(C(=O)N2CCC[C@@H]3[NH2+]CC[C@H]32)cnn1-c1cccc(Br)c1 ZINC000877280783 662873104 /nfs/dbraw/zinc/87/31/04/662873104.db2.gz XMASTRAICYLGQP-DLBZAZTESA-N 1 0 389.297 2.910 20 0 GFADRO O=C(N1CCC(Oc2ccc(Cl)cn2)CC1)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000877295302 662873263 /nfs/dbraw/zinc/87/32/63/662873263.db2.gz RCTNNRGYVKFFFB-OAHLLOKOSA-N 1 0 377.794 2.647 20 0 GFADRO CN[C@H](C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2)c1cccc(Cl)c1Cl ZINC000877329747 662873776 /nfs/dbraw/zinc/87/37/76/662873776.db2.gz XWCYFJIMPCVHKY-WBMJQRKESA-N 1 0 386.323 2.529 20 0 GFADRO O=C(Cc1csc(-c2cccs2)n1)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000877331837 662873848 /nfs/dbraw/zinc/87/38/48/662873848.db2.gz VLFJXTKOWMEAQP-CQSZACIVSA-N 1 0 377.535 2.689 20 0 GFADRO C[C@H](Oc1ccccc1Br)C(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000877367252 662874860 /nfs/dbraw/zinc/87/48/60/662874860.db2.gz ZYWDHZPFQMCZKV-GARJFASQSA-N 1 0 395.219 2.812 20 0 GFADRO C[C@H]1CN(C(=O)c2csc(C3CC[NH2+]CC3)n2)CC[C@H](C(F)(F)F)O1 ZINC000877382273 662875164 /nfs/dbraw/zinc/87/51/64/662875164.db2.gz IOQGXCHWNQAOMN-GXFFZTMASA-N 1 0 377.432 2.792 20 0 GFADRO O=C(N[C@@]12CCC[C@H]1[NH2+]CC2)c1cnn(-c2ccccc2)c1Br ZINC000877387586 662875178 /nfs/dbraw/zinc/87/51/78/662875178.db2.gz OMYMUNZFVGTQHW-RHSMWYFYSA-N 1 0 375.270 2.649 20 0 GFADRO CS(=O)(=O)c1cc(C(=O)N2CCC[C@@H](C[C@H]([NH3+])C3CCCC3)C2)cs1 ZINC000877444997 662876164 /nfs/dbraw/zinc/87/61/64/662876164.db2.gz NUZKEDUFBLSGNF-BBRMVZONSA-N 1 0 384.567 2.911 20 0 GFADRO CCOP(=O)(CCC[NH2+]C1CCN(S(=O)(=O)C(C)(C)C)CC1)OCC ZINC000877475858 662876592 /nfs/dbraw/zinc/87/65/92/662876592.db2.gz OTNJPYFTFWQEBX-UHFFFAOYSA-N 1 0 398.506 2.825 20 0 GFADRO CCOP(=O)(CCC[NH2+][C@H]1CCCN(C(=O)N2CCCC2)C1)OCC ZINC000877516553 662877772 /nfs/dbraw/zinc/87/77/72/662877772.db2.gz FSVUVWPKNDCSFQ-INIZCTEOSA-N 1 0 375.450 2.912 20 0 GFADRO Cc1ccnc(CN2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c1Br ZINC000877527186 662878071 /nfs/dbraw/zinc/87/80/71/662878071.db2.gz IDPKDXVLDOHLEA-SJPCQFCGSA-N 1 0 393.373 2.895 20 0 GFADRO CC(C)[C@@H]([NH2+]Cc1cccc(S(N)(=O)=O)c1)[C@@H](O)c1ccc(Cl)cc1 ZINC000877639479 662880491 /nfs/dbraw/zinc/88/04/91/662880491.db2.gz LKNVFUOQLLYMAN-MSOLQXFVSA-N 1 0 382.913 2.835 20 0 GFADRO CC(C)[C@H]([NH2+]Cc1ccc(S(N)(=O)=O)cc1)[C@@H](O)c1ccc(Cl)cc1 ZINC000877639712 662880570 /nfs/dbraw/zinc/88/05/70/662880570.db2.gz PGDLNIPFMYDVGB-ROUUACIJSA-N 1 0 382.913 2.835 20 0 GFADRO COC(=O)c1ccc(C[NH2+]C[C@H]2CC3(CO2)CCOCC3)c(Br)c1 ZINC000877728632 662882536 /nfs/dbraw/zinc/88/25/36/662882536.db2.gz IAMUVDKYPBXDHJ-OAHLLOKOSA-N 1 0 398.297 2.911 20 0 GFADRO CN1CC[NH+](C2CCN(Cc3nc4cc(Br)ccc4o3)CC2)CC1 ZINC000877745905 662882742 /nfs/dbraw/zinc/88/27/42/662882742.db2.gz CRALEQBTWMLPIW-UHFFFAOYSA-N 1 0 393.329 2.802 20 0 GFADRO C[C@@H](c1ccc(-n2cncn2)cc1)[N@H+](C)C[C@@H](O)c1cc(Br)no1 ZINC000877944191 662886675 /nfs/dbraw/zinc/88/66/75/662886675.db2.gz VMAYMJQTPIHLFY-SMDDNHRTSA-N 1 0 392.257 2.744 20 0 GFADRO OC[C@@H](C1CC1)[N@@H+](Cc1ccccc1)C[C@@H](O)c1cc(Br)no1 ZINC000878298083 662893490 /nfs/dbraw/zinc/89/34/90/662893490.db2.gz GCISPGFKQGLZDM-LSDHHAIUSA-N 1 0 381.270 2.744 20 0 GFADRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)Cc2c(Br)cnn2C)C1 ZINC000878304196 662893593 /nfs/dbraw/zinc/89/35/93/662893593.db2.gz JUNWAXGCNWGHHY-MJBXVCDLSA-N 1 0 383.334 2.589 20 0 GFADRO COC(=O)c1scc(C)c1NC(=O)[C@@H](C)[NH2+][C@@H](CCO)c1cccs1 ZINC000878409341 662895609 /nfs/dbraw/zinc/89/56/09/662895609.db2.gz KCBPNARBDGTXGW-NEPJUHHUSA-N 1 0 382.507 2.945 20 0 GFADRO COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@H](C)[N@@H+]2C[C@@H](O)c2ccc(Br)cc2)O1 ZINC000878565334 662898870 /nfs/dbraw/zinc/89/88/70/662898870.db2.gz JGIDSQFGQRYSPT-JCGSOOFXSA-N 1 0 398.297 2.666 20 0 GFADRO C[C@@](CO)([NH2+]C[C@@H](O)CC1(O)CCCCC1)c1ccc(Br)cc1 ZINC000878603060 662899995 /nfs/dbraw/zinc/89/99/95/662899995.db2.gz OTSCNSUFTKIXPP-IRXDYDNUSA-N 1 0 386.330 2.692 20 0 GFADRO C[N@H+](C[C@H](O)C[C@H](O)c1ccccc1)C[C@@H](O)c1ccccc1Br ZINC000878692040 662902815 /nfs/dbraw/zinc/90/28/15/662902815.db2.gz VCCUZZOSKLRDRA-AYOQOUSVSA-N 1 0 394.309 2.899 20 0 GFADRO O[C@H](C[N@@H+]1CCC[C@@H](O)[C@H]1CCc1ccccc1)c1cc(Br)no1 ZINC000878764474 662904529 /nfs/dbraw/zinc/90/45/29/662904529.db2.gz HDKKQDUYYBWUTJ-BZUAXINKSA-N 1 0 395.297 2.929 20 0 GFADRO Cn1nc(C(F)(F)F)c(C[NH2+][C@H]([C@H]2CCCO2)C2(CO)CCC2)c1Cl ZINC000878869751 662907867 /nfs/dbraw/zinc/90/78/67/662907867.db2.gz MTXOPVREROVSPO-DGCLKSJQSA-N 1 0 381.826 2.892 20 0 GFADRO NC(=O)c1ccc(CC[N@@H+]2CC[C@H](Oc3cncc(Br)c3)C2)cc1 ZINC000878875788 662907970 /nfs/dbraw/zinc/90/79/70/662907970.db2.gz FWKAPUBFKWMGOJ-INIZCTEOSA-N 1 0 390.281 2.639 20 0 GFADRO C[N@H+](C[C@@H](O)c1cc(Br)no1)CC(C)(C)NC(=O)OC(C)(C)C ZINC000878885329 662908555 /nfs/dbraw/zinc/90/85/55/662908555.db2.gz CMVPQFUUTDQRBX-SNVBAGLBSA-N 1 0 392.294 2.706 20 0 GFADRO Cn1ncc(Br)c1CC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000879067025 662915357 /nfs/dbraw/zinc/91/53/57/662915357.db2.gz HMZMJKNRVNOFOK-UHFFFAOYSA-N 1 0 383.334 2.638 20 0 GFADRO Cc1nc(Br)ccc1NC(=O)N(C)CC[NH+]1CC2(C1)CCOCC2 ZINC000879099839 662916555 /nfs/dbraw/zinc/91/65/55/662916555.db2.gz RJROXONGKDUERP-UHFFFAOYSA-N 1 0 397.317 2.729 20 0 GFADRO NC(=O)Cc1cccc2c1CC[N@H+](C[C@H](O)c1ccccc1Br)C2 ZINC000879231846 662921324 /nfs/dbraw/zinc/92/13/24/662921324.db2.gz GPRCMXQISPSKBG-SFHVURJKSA-N 1 0 389.293 2.569 20 0 GFADRO CC[N@@H+]1CC[C@H]1CNC(=O)Nc1ccc(OC)cc1I ZINC000879374173 662924507 /nfs/dbraw/zinc/92/45/07/662924507.db2.gz HBMGXJJRWDTMTC-JTQLQIEISA-N 1 0 389.237 2.516 20 0 GFADRO CN1CC[NH+](C2CCN(CCOc3ccccc3Br)CC2)CC1 ZINC000879594113 662930236 /nfs/dbraw/zinc/93/02/36/662930236.db2.gz XVURZQSMWQMFRY-UHFFFAOYSA-N 1 0 382.346 2.540 20 0 GFADRO C[C@@](O)(C[NH2+][C@@H]1CC=CC[C@H]1C(F)(F)F)c1ccc(S(C)(=O)=O)cc1 ZINC000879672572 662935899 /nfs/dbraw/zinc/93/58/99/662935899.db2.gz ZEUNQAAMMOZITM-BZUAXINKSA-N 1 0 377.428 2.784 20 0 GFADRO Cn1cc(NC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c(Br)n1 ZINC000880050632 662947653 /nfs/dbraw/zinc/94/76/53/662947653.db2.gz OGDVKPCZRNFMRV-BXUZGUMPSA-N 1 0 382.306 2.663 20 0 GFADRO C[C@H](NC(=O)Nc1cn(C)nc1Br)[C@H](c1ccccc1)[NH+](C)C ZINC000880056682 662948329 /nfs/dbraw/zinc/94/83/29/662948329.db2.gz QNXUXIRHBAPIIR-SMDDNHRTSA-N 1 0 380.290 2.996 20 0 GFADRO O=C(NC[C@@H]1CCC[N@H+]1CCCO)c1cc(Br)ccc1C1CC1 ZINC000880163300 662953266 /nfs/dbraw/zinc/95/32/66/662953266.db2.gz HZJKAJLKRQFWIE-HNNXBMFYSA-N 1 0 381.314 2.903 20 0 GFADRO COC(=O)c1scc(C)c1NC(=O)[C@@H](C)[N@H+](C[C@@H](O)CSC)C(C)C ZINC000880215991 662954701 /nfs/dbraw/zinc/95/47/01/662954701.db2.gz MBHFASCNLNCIMV-CHWSQXEVSA-N 1 0 388.555 2.604 20 0 GFADRO C[C@H](CNC(=O)Nc1cccc(F)c1Br)C[NH+]1CCN(C)CC1 ZINC000881140707 662983112 /nfs/dbraw/zinc/98/31/12/662983112.db2.gz HXSLBJIRPINMBZ-GFCCVEGCSA-N 1 0 387.297 2.593 20 0 GFADRO CN1CC[NH+](CCCCNC(=O)Nc2cccc(F)c2Br)CC1 ZINC000881140869 662983142 /nfs/dbraw/zinc/98/31/42/662983142.db2.gz MLSRMFQDWNKFKI-UHFFFAOYSA-N 1 0 387.297 2.737 20 0 GFADRO Cc1cc(N2CCC[C@@H](n3cc([C@@H](C)[NH3+])nn3)C2=O)ccc1Br ZINC000881339687 662990236 /nfs/dbraw/zinc/99/02/36/662990236.db2.gz QGAFDAADFJVKHL-IAQYHMDHSA-N 1 0 378.274 2.737 20 0 GFADRO Cc1cc(N2CCC[C@@H](n3cc([C@H](C)[NH3+])nn3)C2=O)ccc1Br ZINC000881339693 662990247 /nfs/dbraw/zinc/99/02/47/662990247.db2.gz QGAFDAADFJVKHL-XHDPSFHLSA-N 1 0 378.274 2.737 20 0 GFADRO O[C@H](Cn1cc(C[NH2+]C2CCCC2)nn1)c1ccc(F)c(Br)c1 ZINC000881418890 662993454 /nfs/dbraw/zinc/99/34/54/662993454.db2.gz YEBLKOCLIYSZPX-MRXNPFEDSA-N 1 0 383.265 2.946 20 0 GFADRO O[C@@H](Cn1cc(CC[NH+]2CCCCC2)nn1)c1ccc(F)c(Br)c1 ZINC000881418682 662993499 /nfs/dbraw/zinc/99/34/99/662993499.db2.gz VZRWHBNUNHPKOQ-KRWDZBQOSA-N 1 0 397.292 2.942 20 0 GFADRO C[C@@](O)(Cn1cc(CCCC[NH3+])nn1)c1ccc(Br)cc1Cl ZINC000881424161 662993625 /nfs/dbraw/zinc/99/36/25/662993625.db2.gz LGESLNKBCABFNH-OAHLLOKOSA-N 1 0 387.709 2.883 20 0 GFADRO C[C@](O)(Cn1cc(C[C@H]2CCC[NH2+]C2)nn1)c1ccc(Br)cc1F ZINC000881424667 662993839 /nfs/dbraw/zinc/99/38/39/662993839.db2.gz PEMNGFIKWKGGIS-PXAZEXFGSA-N 1 0 397.292 2.630 20 0 GFADRO O=C(c1cc(F)ccc1Br)N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000881470443 662995165 /nfs/dbraw/zinc/99/51/65/662995165.db2.gz RSJFYLYLSBQSLL-CQSZACIVSA-N 1 0 385.277 2.961 20 0 GFADRO O=C(c1ccc(Br)cc1O)N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000881472273 662995315 /nfs/dbraw/zinc/99/53/15/662995315.db2.gz NWWOUDQWFSBCSH-AWEZNQCLSA-N 1 0 383.286 2.528 20 0 GFADRO C[C@@H](CC(=O)N1CCN(c2cc[nH+]cc2)[C@@H](C)C1)n1cc(Br)cn1 ZINC000881630807 662998503 /nfs/dbraw/zinc/99/85/03/662998503.db2.gz NJWUYCIHJMJZHJ-KBPBESRZSA-N 1 0 392.301 2.729 20 0 GFADRO C[C@]1(Br)C[C@@H]1C(=O)NCCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000882384828 663026365 /nfs/dbraw/zinc/02/63/65/663026365.db2.gz VUSMLMJPCGZAQD-AEFFLSMTSA-N 1 0 395.341 2.693 20 0 GFADRO CN(CCCC[NH+]1CCCCC1)S(=O)(=O)c1c(Cl)nc2sccn21 ZINC000882799212 663042663 /nfs/dbraw/zinc/04/26/63/663042663.db2.gz UINIRVMZOJAPLJ-UHFFFAOYSA-N 1 0 390.962 2.936 20 0 GFADRO COC[C@H]([NH2+]CCc1cn2cc(Br)cc(C)c2n1)[C@H]1CCCOC1 ZINC000883216081 663051579 /nfs/dbraw/zinc/05/15/79/663051579.db2.gz KVYFKJUORIBUGM-YOEHRIQHSA-N 1 0 396.329 2.979 20 0 GFADRO CN(Cc1cscc1Br)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000883331603 663053525 /nfs/dbraw/zinc/05/35/25/663053525.db2.gz AYRASAKDXGOKBH-CHWSQXEVSA-N 1 0 388.331 2.515 20 0 GFADRO COC(=O)c1cc(C[NH2+]Cc2cnc3ccc(Br)cn23)n(C)c1C ZINC000883343806 663053653 /nfs/dbraw/zinc/05/36/53/663053653.db2.gz AMTCRVQJIKRGRH-UHFFFAOYSA-N 1 0 391.269 2.820 20 0 GFADRO CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+]C[C@@H](O)C(F)(F)C(F)(F)F)CC1 ZINC000883361192 663053906 /nfs/dbraw/zinc/05/39/06/663053906.db2.gz WKJNEGCBHSARGZ-GHMZBOCLSA-N 1 0 376.366 2.924 20 0 GFADRO C[NH2+]Cc1ccccc1NC(=O)C(=O)NCCc1sccc1Br ZINC000883630526 663058446 /nfs/dbraw/zinc/05/84/46/663058446.db2.gz WPLHZKJHISJBQW-UHFFFAOYSA-N 1 0 396.310 2.527 20 0 GFADRO C[C@@H]1C[NH2+]CCN1C(=O)Cc1csc(-c2sccc2Br)n1 ZINC000884018042 663063839 /nfs/dbraw/zinc/06/38/39/663063839.db2.gz LXATZFMZBPQAFB-SECBINFHSA-N 1 0 386.340 2.997 20 0 GFADRO [NH3+][C@H](C(=O)NC[C@@H]1COc2ccccc2C1)c1ccc(Br)cc1 ZINC000884060128 663064408 /nfs/dbraw/zinc/06/44/08/663064408.db2.gz PIVUNRFGHLGJNG-PXAZEXFGSA-N 1 0 375.266 2.816 20 0 GFADRO COc1ccc(CCNC(=O)[C@H]([NH3+])c2ccc(Br)cc2)c(OC)c1 ZINC000884101265 663065129 /nfs/dbraw/zinc/06/51/29/663065129.db2.gz SLTIKHYURHSZPD-QGZVFWFLSA-N 1 0 393.281 2.825 20 0 GFADRO CCCC(=O)NC[C@H]1CCCN(C(=O)[C@H]([NH3+])c2ccc(Br)cc2)C1 ZINC000884114099 663065394 /nfs/dbraw/zinc/06/53/94/663065394.db2.gz IHJCHCNINDOMQP-CXAGYDPISA-N 1 0 396.329 2.604 20 0 GFADRO COc1ccc(NC(=O)c2ccnc(N3CC[NH2+]CC3)c2)c(Br)c1 ZINC000884119740 663065521 /nfs/dbraw/zinc/06/55/21/663065521.db2.gz VAOPCUMWKFHGIQ-UHFFFAOYSA-N 1 0 391.269 2.515 20 0 GFADRO CCOC(=O)c1ccc(CNC(=O)[C@H]([NH3+])c2ccc(Br)cc2)o1 ZINC000884133021 663065734 /nfs/dbraw/zinc/06/57/34/663065734.db2.gz JCUVCPOASPOWSV-CQSZACIVSA-N 1 0 381.226 2.535 20 0 GFADRO [NH3+][C@H](C(=O)NCc1cnn(CC(F)(F)F)c1)c1ccc(Br)cc1 ZINC000884164839 663066308 /nfs/dbraw/zinc/06/63/08/663066308.db2.gz RSHHZBRXCZLLCB-LBPRGKRZSA-N 1 0 391.191 2.524 20 0 GFADRO Cc1nc(CC(F)(F)F)sc1CC(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000884300591 663068461 /nfs/dbraw/zinc/06/84/61/663068461.db2.gz CHEQTHZIKCCHAG-STQMWFEESA-N 1 0 375.460 2.947 20 0 GFADRO COCCN(Cc1cccnc1)C(=O)[C@H]([NH3+])c1ccc(Br)cc1 ZINC000884309744 663068559 /nfs/dbraw/zinc/06/85/59/663068559.db2.gz DMZHYGWLDINWAW-MRXNPFEDSA-N 1 0 378.270 2.519 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CNC(=S)N1CCN(Cc2cccc(Cl)c2)CC1 ZINC000884387495 663070046 /nfs/dbraw/zinc/07/00/46/663070046.db2.gz VPPQPMPWUDKCJA-SFHVURJKSA-N 1 0 380.989 2.816 20 0 GFADRO Cc1cc(Br)ccc1CS(=O)(=O)N(C)C1CC[NH+](C)CC1 ZINC000884870872 663076801 /nfs/dbraw/zinc/07/68/01/663076801.db2.gz UDCHXEUBSIPOIW-UHFFFAOYSA-N 1 0 375.332 2.613 20 0 GFADRO O=S(=O)(Cc1cc(F)ccc1Br)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000884960438 663079737 /nfs/dbraw/zinc/07/97/37/663079737.db2.gz VNCARTDHQMYOPU-KBPBESRZSA-N 1 0 391.306 2.634 20 0 GFADRO C[NH+]1CCC(OCC(=O)N2CC(Cc3ccc(Br)cc3)C2)CC1 ZINC000885686895 663095142 /nfs/dbraw/zinc/09/51/42/663095142.db2.gz NDFACLDQJNOQSN-UHFFFAOYSA-N 1 0 381.314 2.561 20 0 GFADRO O=C(NC[C@@H]1CC[N@@H+]1C1CCOCC1)c1c[nH]c2ccc(Br)cc12 ZINC000885860720 663099426 /nfs/dbraw/zinc/09/94/26/663099426.db2.gz LVRQNUMEOVVEHT-AWEZNQCLSA-N 1 0 392.297 2.914 20 0 GFADRO C[C@@H](C(=O)NC[C@H]1CC[N@@H+]1C1CCOCC1)c1ccc(Br)s1 ZINC000885873205 663099654 /nfs/dbraw/zinc/09/96/54/663099654.db2.gz PJGGYQNJMFVHDA-DGCLKSJQSA-N 1 0 387.343 2.984 20 0 GFADRO C[C@@H](C(=O)NC[C@@H]1CC[N@@H+]1C1CCOCC1)c1ccc(Br)s1 ZINC000885873207 663099743 /nfs/dbraw/zinc/09/97/43/663099743.db2.gz PJGGYQNJMFVHDA-YPMHNXCESA-N 1 0 387.343 2.984 20 0 GFADRO O=C(NC[C@@H]1CC[N@@H+]1C1CCOCC1)c1c(Cl)nccc1C(F)(F)F ZINC000885880019 663100150 /nfs/dbraw/zinc/10/01/50/663100150.db2.gz LPHXNCLPKQKDAX-NSHDSACASA-N 1 0 377.794 2.737 20 0 GFADRO Cc1c(Br)ccc(F)c1C(=O)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000885896235 663100916 /nfs/dbraw/zinc/10/09/16/663100916.db2.gz XKQAYZOLAFXHDT-CYBMUJFWSA-N 1 0 385.277 2.880 20 0 GFADRO O=C(C[NH2+][C@@H]1CCOC2(CCOCC2)C1)Nc1ccc(Br)cc1 ZINC000885926524 663101805 /nfs/dbraw/zinc/10/18/05/663101805.db2.gz DZJBAEAXXNKHGQ-OAHLLOKOSA-N 1 0 383.286 2.705 20 0 GFADRO CN(Cc1cc(Br)cs1)C(=O)C[N@@H+]1CC[C@H]([C@@H]2CCCO2)C1 ZINC000886830569 663120806 /nfs/dbraw/zinc/12/08/06/663120806.db2.gz UBCVQWBFJYCRAW-WFASDCNBSA-N 1 0 387.343 2.970 20 0 GFADRO CCCOc1ccc(S(=O)(=O)NC[C@@H]2C[NH2+]CCC2(F)F)cc1CC ZINC000886899681 663124198 /nfs/dbraw/zinc/12/41/98/663124198.db2.gz RCDAGWQNSFRILN-AWEZNQCLSA-N 1 0 376.469 2.561 20 0 GFADRO COC[C@H]([NH2+]C[C@H](O)COc1ccc(Cl)cc1Cl)[C@@H]1CCCOC1 ZINC000886905930 663124316 /nfs/dbraw/zinc/12/43/16/663124316.db2.gz OSJTUNWHILWDIC-INWMFGNUSA-N 1 0 378.296 2.764 20 0 GFADRO CCN(C(=O)C(=O)Nc1ccc2cc(Br)ccc2c1)[C@@H]1CC[NH2+]C1 ZINC000887001129 663128314 /nfs/dbraw/zinc/12/83/14/663128314.db2.gz QKOIOGWIFZJQOK-MRXNPFEDSA-N 1 0 390.281 2.751 20 0 GFADRO Cc1sc(-c2cncc(Br)c2)nc1-c1cn(C[C@H](C)[NH3+])nn1 ZINC000887532455 663151294 /nfs/dbraw/zinc/15/12/94/663151294.db2.gz FFUVBVZFBLZOKE-QMMMGPOBSA-N 1 0 379.287 2.882 20 0 GFADRO CC[NH+](CC)[C@H](CNC(=O)c1cn(C)nc1Br)c1ccccc1 ZINC000887708470 663158708 /nfs/dbraw/zinc/15/87/08/663158708.db2.gz XBGJFWJDRXBYFJ-OAHLLOKOSA-N 1 0 379.302 2.996 20 0 GFADRO Cn1cc(C(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)c(Br)n1 ZINC000887939933 663170923 /nfs/dbraw/zinc/17/09/23/663170923.db2.gz UTGKRNPWZUJKII-HNNXBMFYSA-N 1 0 377.286 2.750 20 0 GFADRO COc1cc(/C=C\C(=O)N2C[C@@H]3C[N@H+](C)C[C@]3(C)C2)cc(Br)c1O ZINC000887936569 663171014 /nfs/dbraw/zinc/17/10/14/663171014.db2.gz OGNCNSCTUNBJSB-AUOONRHXSA-N 1 0 395.297 2.587 20 0 GFADRO C[N@@H+]1CCC[C@H](CNC(=O)N[C@H](CCO)C(F)(F)F)[C@H]1c1cccs1 ZINC000888366100 663191378 /nfs/dbraw/zinc/19/13/78/663191378.db2.gz CYWOKPVHWKHKPM-BNOWGMLFSA-N 1 0 379.448 2.744 20 0 GFADRO O=C(Nc1nc2ccc(Cl)nc2s1)N1CC[NH+](C2CCOCC2)CC1 ZINC000888784957 663215621 /nfs/dbraw/zinc/21/56/21/663215621.db2.gz LFXWJDYJDNTWAC-UHFFFAOYSA-N 1 0 381.889 2.673 20 0 GFADRO CN1CCN(C(=O)C(C)(C)Cc2ccc(Br)cc2)CC[N@H+](C)CC1 ZINC000888977584 663227959 /nfs/dbraw/zinc/22/79/59/663227959.db2.gz HZGCEXMFXMATHM-UHFFFAOYSA-N 1 0 396.373 2.724 20 0 GFADRO C[NH+]1CCC(OCC(=O)Nc2nc3cc(F)c(Br)cc3[nH]2)CC1 ZINC000889646722 663253306 /nfs/dbraw/zinc/25/33/06/663253306.db2.gz PLJQGVSTYDPADT-UHFFFAOYSA-N 1 0 385.237 2.514 20 0 GFADRO O=C(C/C=C\c1ccc(Br)cc1)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000889740121 663262088 /nfs/dbraw/zinc/26/20/88/663262088.db2.gz UQAHZQYKHYTZOZ-CWWYOMMMSA-N 1 0 393.325 2.910 20 0 GFADRO Cc1ccc(F)c(C(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)c1Br ZINC000889755860 663263745 /nfs/dbraw/zinc/26/37/45/663263745.db2.gz JBEPSDQMSYAHDF-KBPBESRZSA-N 1 0 385.277 2.568 20 0 GFADRO O=C(N1CC[C@H]2[C@H]1CCC[N@H+]2CCO)C1(c2ccccc2Br)CC1 ZINC000889755660 663263802 /nfs/dbraw/zinc/26/38/02/663263802.db2.gz IDZLTHDQOIJQNC-DLBZAZTESA-N 1 0 393.325 2.538 20 0 GFADRO Cc1c(Br)ccc(C(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)c1F ZINC000889755419 663263818 /nfs/dbraw/zinc/26/38/18/663263818.db2.gz IBOPIZJKSANHTM-LSDHHAIUSA-N 1 0 385.277 2.568 20 0 GFADRO C[C@H](C(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO)c1ccc(Br)cc1 ZINC000889760009 663264105 /nfs/dbraw/zinc/26/41/05/663264105.db2.gz AGCXSQZANABUOV-RRQGHBQHSA-N 1 0 381.314 2.610 20 0 GFADRO O=C(c1cc2c(cccc2Br)[nH]1)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000889769902 663265278 /nfs/dbraw/zinc/26/52/78/663265278.db2.gz OJFKRJIFBWTZFF-DLBZAZTESA-N 1 0 392.297 2.602 20 0 GFADRO Cc1nc(-c2cccs2)sc1C(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000889782757 663266605 /nfs/dbraw/zinc/26/66/05/663266605.db2.gz SQSNDMULMRGZAJ-ZIAGYGMSSA-N 1 0 377.535 2.851 20 0 GFADRO CN(CC(C)(C)C[NH+](C)C)C(=O)c1cc2cc(Br)cnc2n1C ZINC000890879168 663315732 /nfs/dbraw/zinc/31/57/32/663315732.db2.gz WZCHNARFRWZUQU-UHFFFAOYSA-N 1 0 381.318 2.996 20 0 GFADRO CC[NH+]1CCC(NC(=O)c2ccc(Br)nc2)(C(F)(F)F)CC1 ZINC000891207712 663329994 /nfs/dbraw/zinc/32/99/94/663329994.db2.gz HTUOUBMEEWNKAD-UHFFFAOYSA-N 1 0 380.208 2.991 20 0 GFADRO [NH3+]Cc1nc2c(s1)CCN(C(=O)NCc1cccc(Br)c1)C2 ZINC000891460586 663340301 /nfs/dbraw/zinc/34/03/01/663340301.db2.gz QSHNXIQXNWASMG-UHFFFAOYSA-N 1 0 381.299 2.632 20 0 GFADRO C[NH+](C)CCOc1ccc(NC(=O)C(=O)NCc2cscc2Cl)cc1 ZINC000891546176 663343483 /nfs/dbraw/zinc/34/34/83/663343483.db2.gz JHHVJQXSBSQDGG-UHFFFAOYSA-N 1 0 381.885 2.597 20 0 GFADRO C[C@H](Cc1ccccc1Br)NC(=O)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000891675626 663346678 /nfs/dbraw/zinc/34/66/78/663346678.db2.gz AGMROOJIMFMSRK-YPMHNXCESA-N 1 0 390.272 2.924 20 0 GFADRO CN1CCN(C(=O)N[C@@H]2CCSc3ccc(Cl)cc32)CC[N@H+](C)CC1 ZINC000891664904 663346776 /nfs/dbraw/zinc/34/67/76/663346776.db2.gz GCYLDTIWOJBIJS-MRXNPFEDSA-N 1 0 382.961 2.766 20 0 GFADRO CO[C@@H](CNC(=O)N1CCc2sc(C[NH3+])nc2C1)c1ccccc1Cl ZINC000891686500 663347396 /nfs/dbraw/zinc/34/73/96/663347396.db2.gz HSOIGARXYUHYBM-AWEZNQCLSA-N 1 0 380.901 2.711 20 0 GFADRO [NH3+][C@H]1C[C@H](CNC(=O)N[C@@H]2CCCN(c3ccc(Cl)cc3Cl)C2=O)C1 ZINC000891848530 663352738 /nfs/dbraw/zinc/35/27/38/663352738.db2.gz NDOQUOHMDFYSFL-MPKXVKKWSA-N 1 0 385.295 2.525 20 0 GFADRO C[C@H](NC(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1)c1ccc(Br)cn1 ZINC000891869089 663353572 /nfs/dbraw/zinc/35/35/72/663353572.db2.gz UQKCNRNMBZXJDT-ATZCPNFKSA-N 1 0 395.223 2.684 20 0 GFADRO O=C(NCCC1=CC[NH2+]CC1)N[C@@H]1[C@H]2Cc3c(cccc3Br)[C@@H]12 ZINC000892100523 663361666 /nfs/dbraw/zinc/36/16/66/663361666.db2.gz KIZQNDTYNAWHMZ-USXIJHARSA-N 1 0 376.298 2.696 20 0 GFADRO C[C@@H]1CN(Cc2cnc(CC(F)(F)F)s2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000892153309 663363553 /nfs/dbraw/zinc/36/35/53/663363553.db2.gz NXIAHBBSYVJGQW-UKRRQHHQSA-N 1 0 376.492 2.706 20 0 GFADRO COC[C@@H](NC(=O)NCCC[C@@H]1CCC[NH2+]1)c1cccc(Br)c1 ZINC000892158325 663364040 /nfs/dbraw/zinc/36/40/40/663364040.db2.gz HAELCWNWSGMONJ-JKSUJKDBSA-N 1 0 384.318 2.968 20 0 GFADRO O=C(N[C@@H]1[C@H]2Cc3ccc(Br)cc3[C@@H]12)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000892188983 663365233 /nfs/dbraw/zinc/36/52/33/663365233.db2.gz UBNMUYXAZQPJBJ-FYWHHKFKSA-N 1 0 390.325 2.775 20 0 GFADRO CC(=O)Nc1cc(Br)ccc1CN1CCC[C@@H](Cn2ccnn2)C1 ZINC000892236839 663366746 /nfs/dbraw/zinc/36/67/46/663366746.db2.gz GIHWLFZDAHXUPZ-CQSZACIVSA-N 1 0 392.301 2.911 20 0 GFADRO CC(=O)Nc1cc(Br)ccc1C[N@H+](C)C[C@H]1CCN(C(C)=O)C1 ZINC000892243197 663366894 /nfs/dbraw/zinc/36/68/94/663366894.db2.gz XBPYINNLKIMPBL-CQSZACIVSA-N 1 0 382.302 2.708 20 0 GFADRO COc1ncc(Br)cc1CNC(=O)N1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000892283003 663368185 /nfs/dbraw/zinc/36/81/85/663368185.db2.gz VNBBEOLYOOEPGW-KRWDZBQOSA-N 1 0 397.317 2.528 20 0 GFADRO O=C(NCc1cc(F)c(Br)cc1F)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000892285631 663368409 /nfs/dbraw/zinc/36/84/09/663368409.db2.gz WJSICNFYRJASMU-VIFPVBQESA-N 1 0 398.198 2.771 20 0 GFADRO [NH3+]CCC1CCN(C(=O)N[C@@H]2[C@H]3Cc4c(cccc4Br)[C@@H]23)CC1 ZINC000892322013 663369106 /nfs/dbraw/zinc/36/91/06/663369106.db2.gz HFSAOBSPVCQBQG-USXIJHARSA-N 1 0 378.314 2.858 20 0 GFADRO C[C@H]1C[C@@H](C(=O)N(Cc2ncc[nH]2)c2cncc(Br)c2)CC[N@@H+]1C ZINC000892349635 663370531 /nfs/dbraw/zinc/37/05/31/663370531.db2.gz RMPMTWZFHKJBEZ-STQMWFEESA-N 1 0 392.301 2.831 20 0 GFADRO Cn1cc(C(=O)N[C@]2(C)CC[N@H+](Cc3ccccc3)C2)c(Br)n1 ZINC000892416438 663372700 /nfs/dbraw/zinc/37/27/00/663372700.db2.gz RDNPFKLCCVNFTL-QGZVFWFLSA-N 1 0 377.286 2.577 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)N[C@@H]2[C@H]3Cc4cc(Br)ccc4[C@@H]23)C1 ZINC000892425313 663373136 /nfs/dbraw/zinc/37/31/36/663373136.db2.gz ABMILVITTGVRGY-CKSWIOAOSA-N 1 0 378.314 2.856 20 0 GFADRO CC1(C)C[NH2+]CC[C@H](NC(=O)N[C@@H](CCO)c2ccccc2Br)C1 ZINC000892491188 663375409 /nfs/dbraw/zinc/37/54/09/663375409.db2.gz GCZJHSNLYIXLGN-BBRMVZONSA-N 1 0 398.345 2.950 20 0 GFADRO C[NH+](C)C[C@H]1CCN(c2ncnc3c2c(Br)nn3C(C)(C)C)C1 ZINC000892521112 663376431 /nfs/dbraw/zinc/37/64/31/663376431.db2.gz JMFIDQQTYNKABU-LLVKDONJSA-N 1 0 381.322 2.732 20 0 GFADRO CNS(=O)(=O)Cc1ccc(C[NH2+]Cc2cnc(CC(F)(F)F)s2)cc1 ZINC000892662234 663380229 /nfs/dbraw/zinc/38/02/29/663380229.db2.gz FNQIXVUMYHIEBX-UHFFFAOYSA-N 1 0 393.456 2.587 20 0 GFADRO C[C@]1(Br)C[C@H]1C[NH2+]Cc1cccc(C(=O)NC[C@@H]2CCCO2)c1 ZINC000892678963 663380839 /nfs/dbraw/zinc/38/08/39/663380839.db2.gz KDEJRZVBDZMRMM-BQFCYCMXSA-N 1 0 381.314 2.859 20 0 GFADRO O=C(NCc1ccc(C(F)(F)F)s1)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000892699759 663382312 /nfs/dbraw/zinc/38/23/12/663382312.db2.gz INMOKELRDJMVTG-NSHDSACASA-N 1 0 377.432 2.725 20 0 GFADRO O=C(NC1CC1)c1cccc(C[NH2+]Cc2ncc(Br)cc2O)c1 ZINC000892713558 663382918 /nfs/dbraw/zinc/38/29/18/663382918.db2.gz UODADPHQSYCCIT-UHFFFAOYSA-N 1 0 376.254 2.732 20 0 GFADRO CCC1([NH3+])CCN(C(=O)N(C)C[C@H](O)c2ccccc2Br)CC1 ZINC000892931598 663390076 /nfs/dbraw/zinc/39/00/76/663390076.db2.gz CYUFPHPHONJLRU-HNNXBMFYSA-N 1 0 384.318 2.738 20 0 GFADRO C[C@]1(Br)C[C@H]1C[NH2+]C[C@H](O)c1cc(Cl)c2c(c1)OCCO2 ZINC000892991645 663392549 /nfs/dbraw/zinc/39/25/49/663392549.db2.gz JRUQTZQKXSZNER-WBIUFABUSA-N 1 0 376.678 2.908 20 0 GFADRO CN(C)c1nc(C(F)(F)F)ccc1C[NH2+][C@@H]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000893002052 663392697 /nfs/dbraw/zinc/39/26/97/663392697.db2.gz UVMTVIMHLXGZCZ-CHWSQXEVSA-N 1 0 379.448 2.612 20 0 GFADRO CCCOc1ccc(C[NH2+][C@H](C)[C@@H]2CCS(=O)(=O)C2)c(OC(F)F)c1 ZINC000893104404 663396700 /nfs/dbraw/zinc/39/67/00/663396700.db2.gz YAMCGLUGCMRNSB-TZMCWYRMSA-N 1 0 377.453 2.990 20 0 GFADRO Cc1[nH+]ccc(N[C@@H]2CCCN(Cc3ccccn3)C2=O)c1Br ZINC000893134013 663398032 /nfs/dbraw/zinc/39/80/32/663398032.db2.gz FCABGWBHCYEDIT-OAHLLOKOSA-N 1 0 375.270 2.573 20 0 GFADRO CC[C@H](CS(=O)(=O)c1ccccc1)[NH2+]Cc1ncc(Br)cc1O ZINC000893181635 663400271 /nfs/dbraw/zinc/40/02/71/663400271.db2.gz FMFFTPZYCMXKHO-CYBMUJFWSA-N 1 0 399.310 2.892 20 0 GFADRO Cc1nc(Br)sc1C(=O)N1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000893446263 663411881 /nfs/dbraw/zinc/41/18/81/663411881.db2.gz DSOPTVRFQLFPPQ-SNVBAGLBSA-N 1 0 381.299 2.960 20 0 GFADRO C[C@H]([NH2+][C@H]1CCN(c2ccc(Cl)cc2Cl)C1)[C@H]1CCS(=O)(=O)C1 ZINC000893963752 663433865 /nfs/dbraw/zinc/43/38/65/663433865.db2.gz GYTNBXPKCKRLFF-OBJOEFQTSA-N 1 0 377.337 2.985 20 0 GFADRO C[C@H]([NH2+]C1CCN(C=O)CC1)c1nc(-c2ccc(Br)cc2)no1 ZINC000893976848 663435120 /nfs/dbraw/zinc/43/51/20/663435120.db2.gz TWEOMQWXYLUUKV-NSHDSACASA-N 1 0 379.258 2.771 20 0 GFADRO Cc1ccc(CN2CC[C@@H]([NH2+]Cc3ncc(Br)cc3O)C2=O)cc1 ZINC000893998829 663436363 /nfs/dbraw/zinc/43/63/63/663436363.db2.gz BBSRDZCOMSSHPM-OAHLLOKOSA-N 1 0 390.281 2.749 20 0 GFADRO CC[C@@H](C(=O)Nc1cc(Br)cc2c1NC(=O)CO2)[NH+](CC)CC ZINC000894030769 663438823 /nfs/dbraw/zinc/43/88/23/663438823.db2.gz KGRWKXJQWQPQCW-LBPRGKRZSA-N 1 0 384.274 2.839 20 0 GFADRO C[C@]1(Br)C[C@@H]1C[NH2+][C@@H](C(N)=O)c1cccc(Br)c1 ZINC000894151950 663445904 /nfs/dbraw/zinc/44/59/04/663445904.db2.gz XAUKDKZEBMNOEP-XWIASGKRSA-N 1 0 376.092 2.739 20 0 GFADRO Cn1nc(Br)nc1CNC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000894209136 663448738 /nfs/dbraw/zinc/44/87/38/663448738.db2.gz NYLMNNGDUFYVDR-OAHLLOKOSA-N 1 0 378.318 2.579 20 0 GFADRO CS(=O)(=O)CCN1CCC([NH2+]Cc2cc3ccnc(Cl)c3s2)CC1 ZINC000894229533 663449858 /nfs/dbraw/zinc/44/98/58/663449858.db2.gz SAYODUHETWWMTB-UHFFFAOYSA-N 1 0 387.958 2.548 20 0 GFADRO CCOC(=O)c1ncc(C[NH2+]C[C@@H](O)c2cccc(Br)c2)s1 ZINC000894279589 663452376 /nfs/dbraw/zinc/45/23/76/663452376.db2.gz QNTDHXIPJZNBLT-CYBMUJFWSA-N 1 0 385.283 2.906 20 0 GFADRO Cn1ncc(I)c1C[NH2+]C[C@H]1[C@@H]2c3ccccc3C[C@H]12 ZINC000894336628 663455393 /nfs/dbraw/zinc/45/53/93/663455393.db2.gz KLZDJEDRTSGGRC-XJKCOSOUSA-N 1 0 379.245 2.700 20 0 GFADRO Cn1cc(C[NH2+]C[C@@H]2[C@@H]3Cc4ccccc4[C@H]23)c(I)n1 ZINC000894337662 663455587 /nfs/dbraw/zinc/45/55/87/663455587.db2.gz WGKYGMOLCZERMX-ZNMIVQPWSA-N 1 0 379.245 2.700 20 0 GFADRO Cn1cc(C[NH2+]CC2([C@@H](O)c3ccccc3)CC2)c(I)n1 ZINC000894355196 663456953 /nfs/dbraw/zinc/45/69/53/663456953.db2.gz TXBCBJILXUUGIK-AWEZNQCLSA-N 1 0 397.260 2.628 20 0 GFADRO Clc1nc(N2CCOCC2)sc1C[NH2+]CCc1cn2ccccc2n1 ZINC000894383120 663459295 /nfs/dbraw/zinc/45/92/95/663459295.db2.gz AYRUOUNNLXCEON-UHFFFAOYSA-N 1 0 377.901 2.613 20 0 GFADRO Cc1csc([C@H](C)C[NH2+]Cc2cn(C)nc2I)n1 ZINC000894456527 663462620 /nfs/dbraw/zinc/46/26/20/663462620.db2.gz SAZBYBRUQVGOGZ-MRVPVSSYSA-N 1 0 376.267 2.683 20 0 GFADRO C[C@@H](NC(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO)c1ccc(Br)cc1 ZINC000894456160 663462625 /nfs/dbraw/zinc/46/26/25/663462625.db2.gz MKIBWPBKROPDHD-COXVUDFISA-N 1 0 396.329 2.751 20 0 GFADRO CC(C)[C@H](C[NH2+]Cc1sc(N2CCOCC2)nc1Cl)c1ccnn1C ZINC000894539338 663467763 /nfs/dbraw/zinc/46/77/63/663467763.db2.gz ZYLYZUYAZIYENK-ZDUSSCGKSA-N 1 0 383.949 2.896 20 0 GFADRO C[C@@H](CNC(=O)OC(C)(C)C)[NH2+]Cc1sc(N2CCOCC2)nc1Cl ZINC000894559767 663468700 /nfs/dbraw/zinc/46/87/00/663468700.db2.gz SWPRLOWQTXDSCD-NSHDSACASA-N 1 0 390.937 2.636 20 0 GFADRO CC(C)[C@H]([NH2+]Cc1c(I)cnn1C)[C@@H](O)c1ccccc1 ZINC000894597171 663470696 /nfs/dbraw/zinc/47/06/96/663470696.db2.gz GTVCXWXAOMNTNW-HOTGVXAUSA-N 1 0 399.276 2.873 20 0 GFADRO O=C(N1C[C@@H]2C[N@@H+](Cc3c(Cl)n[nH]c3C3CC3)CC[C@@H]2C1)C(F)(F)F ZINC000894722096 663477631 /nfs/dbraw/zinc/47/76/31/663477631.db2.gz IAXXQXVGEORFLC-MNOVXSKESA-N 1 0 376.810 2.783 20 0 GFADRO CCc1nnc(C[NH2+]C[C@@H](CO)Cc2cc(Br)ccc2F)s1 ZINC000894751371 663479339 /nfs/dbraw/zinc/47/93/39/663479339.db2.gz TWXZUEXEBUQHGH-JTQLQIEISA-N 1 0 388.306 2.943 20 0 GFADRO COc1ccc(C[C@@H](CO)C[NH2+]Cc2nccn2C2CC2)cc1Br ZINC000894751361 663479383 /nfs/dbraw/zinc/47/93/83/663479383.db2.gz STFLQZCCCXFSHA-CQSZACIVSA-N 1 0 394.313 2.930 20 0 GFADRO COc1c(Br)cc(C[NH2+]C[C@H]2COCO2)cc1Br ZINC000894872031 663486119 /nfs/dbraw/zinc/48/61/19/663486119.db2.gz WNUWEAGBVWJLFD-VIFPVBQESA-N 1 0 381.064 2.683 20 0 GFADRO CC(C)[C@@H]1C[C@@H](C[NH2+]Cc2cn(C)nc2I)CCO1 ZINC000894898737 663487373 /nfs/dbraw/zinc/48/73/73/663487373.db2.gz JSSCIXWBESINDJ-AAEUAGOBSA-N 1 0 377.270 2.566 20 0 GFADRO CC[C@@H](C[NH2+]Cc1c(Br)cncc1Br)C(=O)OC ZINC000895127415 663500384 /nfs/dbraw/zinc/50/03/84/663500384.db2.gz HWWZZRSPWHZFGU-QMMMGPOBSA-N 1 0 380.080 2.895 20 0 GFADRO C[C@@H](CC(=O)N1CCN(c2cc[nH+]cc2)C[C@@H]1C)n1cc(Br)cn1 ZINC000895264502 663505909 /nfs/dbraw/zinc/50/59/09/663505909.db2.gz BOJOZCBAKFMNIL-KBPBESRZSA-N 1 0 392.301 2.729 20 0 GFADRO [O-]c1cc(Br)cnc1C[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000895308476 663507450 /nfs/dbraw/zinc/50/74/50/663507450.db2.gz JKMZMRMSGNKHAY-UHFFFAOYSA-N 1 0 384.318 2.530 20 0 GFADRO Cc1nn(-c2cccc(Br)c2)cc1C[NH2+][C@@H]1C(=O)NCC1(C)C ZINC000895322186 663508085 /nfs/dbraw/zinc/50/80/85/663508085.db2.gz RGYOCOJKSOLTME-OAHLLOKOSA-N 1 0 377.286 2.557 20 0 GFADRO Cc1nn(-c2ccccc2Br)cc1C[NH2+][C@@H]1C(=O)NCC1(C)C ZINC000895322761 663508325 /nfs/dbraw/zinc/50/83/25/663508325.db2.gz WGWNCEHEVKUPDY-OAHLLOKOSA-N 1 0 377.286 2.557 20 0 GFADRO Clc1nc(N2CCOCC2)sc1CNC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000895359556 663509716 /nfs/dbraw/zinc/50/97/16/663509716.db2.gz HJGKZMCLNHEEFI-HNNXBMFYSA-N 1 0 384.977 2.845 20 0 GFADRO C[C@H](C[NH2+]Cc1cnc(Br)cn1)c1ccc(S(C)(=O)=O)cc1 ZINC000895406353 663512001 /nfs/dbraw/zinc/51/20/01/663512001.db2.gz BTIKOJZWBQJLDY-LLVKDONJSA-N 1 0 384.299 2.536 20 0 GFADRO COCc1ncc2c(n1)CCN(Cc1cnc3ccc(Br)cn13)C2 ZINC000895416005 663513023 /nfs/dbraw/zinc/51/30/23/663513023.db2.gz UUMGXPYZFFMJFC-UHFFFAOYSA-N 1 0 388.269 2.592 20 0 GFADRO OCC1([C@@H]([NH2+]Cc2ncc(Br)cc2O)c2ccncc2)CCC1 ZINC000895482239 663516780 /nfs/dbraw/zinc/51/67/80/663516780.db2.gz SEDYTYYMKASOOM-INIZCTEOSA-N 1 0 378.270 2.938 20 0 GFADRO COc1cc(CNC(=O)N2CCC23CC[NH+](C)CC3)c(Br)cc1O ZINC000895527357 663517921 /nfs/dbraw/zinc/51/79/21/663517921.db2.gz CXNMWGPBHYPWAE-UHFFFAOYSA-N 1 0 398.301 2.543 20 0 GFADRO CC(C)[NH+]1CCC(NC(=O)COCCc2ccc(Br)cc2)CC1 ZINC000895521973 663518010 /nfs/dbraw/zinc/51/80/10/663518010.db2.gz MWCOEJTUDCSTPB-UHFFFAOYSA-N 1 0 383.330 2.997 20 0 GFADRO CC(=O)N1C[C@@H]2C[N@@H+](Cc3nc4ccc(Br)cc4s3)C[C@@H]2C1 ZINC000895575741 663519204 /nfs/dbraw/zinc/51/92/04/663519204.db2.gz HEFCBRPQUVXNKD-TXEJJXNPSA-N 1 0 380.311 2.969 20 0 GFADRO CC(=O)N1C[C@@H]2C[N@@H+](Cc3c[nH]nc3-c3ccc(Br)s3)C[C@@H]2C1 ZINC000895575911 663519225 /nfs/dbraw/zinc/51/92/25/663519225.db2.gz KXXPKFQBRORPGQ-BETUJISGSA-N 1 0 395.326 2.811 20 0 GFADRO Cn1ccn2c(C[NH2+]CCCCc3ccc(Cl)c(Cl)c3)nnc2c1=O ZINC000895638343 663522020 /nfs/dbraw/zinc/52/20/20/663522020.db2.gz FPTQILMLJWCFQY-UHFFFAOYSA-N 1 0 380.279 2.847 20 0 GFADRO CO[C@H](C[NH2+]Cc1ccn(-c2ccc(Br)cc2)n1)[C@H]1CCOC1 ZINC000895805045 663528385 /nfs/dbraw/zinc/52/83/85/663528385.db2.gz QGSJEHBFXVQODH-SUMWQHHRSA-N 1 0 380.286 2.776 20 0 GFADRO C[NH+](C)CC[C@H](Nc1nnc2ccc(Br)cn21)c1cccnc1 ZINC000895890057 663532369 /nfs/dbraw/zinc/53/23/69/663532369.db2.gz BWFYEFBJCZUWPW-AWEZNQCLSA-N 1 0 375.274 2.992 20 0 GFADRO O=C(c1nn2c(c1Br)CCC2)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000896133542 663542077 /nfs/dbraw/zinc/54/20/77/663542077.db2.gz OYDQGQXVORUDBZ-ZDUSSCGKSA-N 1 0 381.318 2.682 20 0 GFADRO Cn1cc(C(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)c(Br)n1 ZINC000896149592 663542637 /nfs/dbraw/zinc/54/26/37/663542637.db2.gz POKIZWIGEXHCPN-CQSZACIVSA-N 1 0 383.334 2.911 20 0 GFADRO O=c1[nH]c(NC[C@@H]2CC[N@@H+]2C2CCOCC2)nc2ccc(Br)cc21 ZINC000896528386 663560923 /nfs/dbraw/zinc/56/09/23/663560923.db2.gz VHAWADYMEDAZGN-ZDUSSCGKSA-N 1 0 393.285 2.763 20 0 GFADRO Cc1cc(C)c(CC(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCN2C)c(C)c1Br ZINC000896531306 663561541 /nfs/dbraw/zinc/56/15/41/663561541.db2.gz ZJCULEFDBZWSNQ-WBVHZDCISA-N 1 0 396.373 2.667 20 0 GFADRO C[C@H](NC(=O)c1ccc2cc(Br)ccc2c1)[C@H]1C[N@H+](C)CCN1C ZINC000896552208 663563485 /nfs/dbraw/zinc/56/34/85/663563485.db2.gz JIEPUSOOSLCBIG-SCLBCKFNSA-N 1 0 390.325 2.966 20 0 GFADRO C[C@H](CC(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCN1C)c1ccc(Br)cc1 ZINC000896551269 663563590 /nfs/dbraw/zinc/56/35/90/663563590.db2.gz DQTIBAKIAJIYRJ-CPUCHLNUSA-N 1 0 382.346 2.693 20 0 GFADRO COC(=O)c1ccc(C[NH2+]CCc2ccccc2S(C)(=O)=O)cc1Cl ZINC000896813746 663577659 /nfs/dbraw/zinc/57/76/59/663577659.db2.gz ACFATYOYAVJTRR-UHFFFAOYSA-N 1 0 381.881 2.862 20 0 GFADRO CN(C)[C@@H](CC[NH2+]Cc1sc(N2CCOCC2)nc1Cl)C(F)(F)F ZINC000896877939 663580430 /nfs/dbraw/zinc/58/04/30/663580430.db2.gz GCSAJJQUAGPNOR-NSHDSACASA-N 1 0 386.871 2.605 20 0 GFADRO COC(=O)c1cnc(CC[NH2+]Cc2c(Cl)n(C)nc2C(F)(F)F)s1 ZINC000896933132 663582130 /nfs/dbraw/zinc/58/21/30/663582130.db2.gz YXTXIPQNPAAAOZ-UHFFFAOYSA-N 1 0 382.795 2.668 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH+]2CCC(c3nc4c(s3)CCC4)CC2)cc1 ZINC000896942614 663582443 /nfs/dbraw/zinc/58/24/43/663582443.db2.gz HSWLFZFZDHUGAJ-UHFFFAOYSA-N 1 0 377.535 2.659 20 0 GFADRO CCOc1cc(C[NH2+]C[C@H]2CCN2C2CCOCC2)cc(Br)c1O ZINC000897229894 663596068 /nfs/dbraw/zinc/59/60/68/663596068.db2.gz YHMKEYPPIONPGH-OAHLLOKOSA-N 1 0 399.329 2.896 20 0 GFADRO COC(=O)c1ccc(C[NH2+]C[C@@H]2CCN2C2CCOCC2)cc1Br ZINC000897228693 663596123 /nfs/dbraw/zinc/59/61/23/663596123.db2.gz MNLFVFSGYIKHGD-HNNXBMFYSA-N 1 0 397.313 2.579 20 0 GFADRO CS[C@@H]1CN(C(=O)Cc2sc(CC(F)(F)F)nc2C)C[C@@H]1[NH+](C)C ZINC000897238355 663596485 /nfs/dbraw/zinc/59/64/85/663596485.db2.gz XMQFUIOMGSEASG-CMPLNLGQSA-N 1 0 381.489 2.603 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)C(=O)NCc1cscc1Cl)c1ccc(F)cc1 ZINC000897449236 663606194 /nfs/dbraw/zinc/60/61/94/663606194.db2.gz RLPOHWMDVHQVTB-HNNXBMFYSA-N 1 0 383.876 2.576 20 0 GFADRO CSc1ccc(Br)cc1CC[NH2+][C@H]1CCCS(=O)(=O)C1 ZINC000897515505 663608137 /nfs/dbraw/zinc/60/81/37/663608137.db2.gz SQVHBFYWTRETPW-ZDUSSCGKSA-N 1 0 378.357 2.880 20 0 GFADRO CC[C@H](C)[NH2+][C@@H](CNC(=O)c1cc(N)nc(Br)c1)c1ccco1 ZINC000897730781 663617545 /nfs/dbraw/zinc/61/75/45/663617545.db2.gz RRPKBDXPINYPLY-JQWIXIFHSA-N 1 0 381.274 2.879 20 0 GFADRO O=C(Nc1cccc2cc(Br)cnc21)C1C[NH+]([C@H]2CCOC2)C1 ZINC000897730711 663617592 /nfs/dbraw/zinc/61/75/92/663617592.db2.gz OYRAEQHKPMWHDV-AWEZNQCLSA-N 1 0 376.254 2.657 20 0 GFADRO CC[C@@H](C)[NH2+][C@H](CNC(=O)c1cc(N)nc(Br)c1)c1ccco1 ZINC000897730783 663617632 /nfs/dbraw/zinc/61/76/32/663617632.db2.gz RRPKBDXPINYPLY-ZYHUDNBSSA-N 1 0 381.274 2.879 20 0 GFADRO C[NH+](C)C[C@H](NC(=O)c1nn2c(c1Br)CCC2)c1ccc(F)cc1 ZINC000897767167 663619878 /nfs/dbraw/zinc/61/98/78/663619878.db2.gz VAVRGPDTPGRQHX-ZDUSSCGKSA-N 1 0 395.276 2.764 20 0 GFADRO C[NH+](C)C[C@@H](NC(=O)c1nn2c(c1Br)CCC2)c1ccc(F)cc1 ZINC000897767026 663619956 /nfs/dbraw/zinc/61/99/56/663619956.db2.gz VAVRGPDTPGRQHX-CYBMUJFWSA-N 1 0 395.276 2.764 20 0 GFADRO Cc1nn(-c2cccc(Cl)c2)c(Cl)c1C[NH2+]CCCc1nnnn1C ZINC000898042177 663631232 /nfs/dbraw/zinc/63/12/32/663631232.db2.gz KBCLEOCYDHLHKO-UHFFFAOYSA-N 1 0 380.283 2.733 20 0 GFADRO Cn1cc([C@]2(C[NH2+]Cc3cn4ccc(Br)cc4n3)CCCO2)cn1 ZINC000898054417 663631597 /nfs/dbraw/zinc/63/15/97/663631597.db2.gz XFTQHBHIYOFQJJ-QGZVFWFLSA-N 1 0 390.285 2.626 20 0 GFADRO COC(=O)c1csc(C[NH2+]Cc2cccc(NS(=O)(=O)C3CC3)c2)c1 ZINC000898289103 663642148 /nfs/dbraw/zinc/64/21/48/663642148.db2.gz VVEQVOWKAORGMY-UHFFFAOYSA-N 1 0 380.491 2.729 20 0 GFADRO C[C@H]([NH2+][C@H](CO)c1ccccc1I)[C@H]1CCCOC1 ZINC000898512593 663653915 /nfs/dbraw/zinc/65/39/15/663653915.db2.gz LFWULWGWWBSJGA-SLEUVZQESA-N 1 0 375.250 2.729 20 0 GFADRO O=C(c1ccc(Cl)s1)N1CCC(C(=O)N2CC([NH+]3CCCC3)C2)CC1 ZINC000898613591 663658061 /nfs/dbraw/zinc/65/80/61/663658061.db2.gz OOYVKXBXRQHKJG-UHFFFAOYSA-N 1 0 381.929 2.560 20 0 GFADRO O=C(Cc1cscc1Br)NC1CC[NH+](C2CCOCC2)CC1 ZINC000898634855 663658642 /nfs/dbraw/zinc/65/86/42/663658642.db2.gz AKMHPEBOVMCZCG-UHFFFAOYSA-N 1 0 387.343 2.813 20 0 GFADRO CN1C(=O)CCc2cc(C[NH2+][C@H]3CCc4ncc(Br)n4C3)ccc21 ZINC000898724202 663661249 /nfs/dbraw/zinc/66/12/49/663661249.db2.gz LRKQUVXNYMTQOC-AWEZNQCLSA-N 1 0 389.297 2.659 20 0 GFADRO Brc1cnc2n1C[C@H]([NH2+]Cc1cnn(Cc3ccccc3)c1)CC2 ZINC000898726770 663661868 /nfs/dbraw/zinc/66/18/68/663661868.db2.gz MQHNJJHBKHALEI-MRXNPFEDSA-N 1 0 386.297 2.995 20 0 GFADRO O=C(CCCc1ccc(Br)cc1)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000898985697 663671703 /nfs/dbraw/zinc/67/17/03/663671703.db2.gz YGUWUGUEYBECHI-GOSISDBHSA-N 1 0 395.341 2.829 20 0 GFADRO C[NH2+]C1(CNC(=O)c2cnn(Cc3ccccc3)c2Br)CCC1 ZINC000899149649 663677970 /nfs/dbraw/zinc/67/79/70/663677970.db2.gz CTTVWEAJDRHBMN-UHFFFAOYSA-N 1 0 377.286 2.566 20 0 GFADRO C[C@@](O)(c1cn(C[C@@H]2CCCC[NH2+]C2)nn1)c1ccccc1Br ZINC000899741289 663699930 /nfs/dbraw/zinc/69/99/30/663699930.db2.gz OQRBSOKDNLQIMS-DYVFJYSZSA-N 1 0 379.302 2.686 20 0 GFADRO C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)c1ccc(Br)c(O)c1 ZINC000899811333 663700892 /nfs/dbraw/zinc/70/08/92/663700892.db2.gz VQZKQWNEKKOWRP-LBPRGKRZSA-N 1 0 376.254 2.901 20 0 GFADRO CC(C)[NH+]1CCN(CCC(=O)N(C)Cc2cccc(Br)c2)CC1 ZINC000900127831 663708741 /nfs/dbraw/zinc/70/87/41/663708741.db2.gz MLYBCRHFTPWDCY-UHFFFAOYSA-N 1 0 382.346 2.824 20 0 GFADRO CC(C)[NH+]1CCN(CCC(=O)N(C)Cc2cc(Br)cs2)CC1 ZINC000900223871 663710140 /nfs/dbraw/zinc/71/01/40/663710140.db2.gz PZTYPXKYDPCKNX-UHFFFAOYSA-N 1 0 388.375 2.885 20 0 GFADRO COc1ccc([C@@H]([NH2+]C(C)C)C(=O)NCc2cn(C)nc2Br)cc1 ZINC000900282261 663711543 /nfs/dbraw/zinc/71/15/43/663711543.db2.gz OEPUEOQNVLUFPZ-OAHLLOKOSA-N 1 0 395.301 2.547 20 0 GFADRO CC(C)[NH+]1CCN(CCC(=O)N(C)Cc2csc(Br)c2)CC1 ZINC000900365051 663713310 /nfs/dbraw/zinc/71/33/10/663713310.db2.gz SQGUDIYCLYBVKN-UHFFFAOYSA-N 1 0 388.375 2.885 20 0 GFADRO Cc1ccc(F)c(Br)c1C(=O)N(C)CCCN1CC[NH+](C)CC1 ZINC000900647733 663718657 /nfs/dbraw/zinc/71/86/57/663718657.db2.gz RVNPLJRLTSLBAX-UHFFFAOYSA-N 1 0 386.309 2.606 20 0 GFADRO CC(C)[NH+]1CCN(CCC(=O)Nc2ccc(Cl)c(C[S@](C)=O)c2)CC1 ZINC000900730838 663720515 /nfs/dbraw/zinc/72/05/15/663720515.db2.gz IJRQOXSYIUZLPV-VWLOTQADSA-N 1 0 385.961 2.573 20 0 GFADRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)CN2CSCCSC2)CC1 ZINC000900960827 663727722 /nfs/dbraw/zinc/72/77/22/663727722.db2.gz AYSSUZGZKADKPI-UHFFFAOYSA-N 1 0 379.595 2.806 20 0 GFADRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)c2cc3ncc(Br)cn3n2)C1 ZINC000901150877 663731220 /nfs/dbraw/zinc/73/12/20/663731220.db2.gz DFFNZDYCTXDOBP-ZDUSSCGKSA-N 1 0 394.317 2.590 20 0 GFADRO C[C@@H]([NH2+][C@H]1CCc2ncc(Br)n2C1)C(=O)Nc1cccc(F)c1 ZINC000901728083 663743730 /nfs/dbraw/zinc/74/37/30/663743730.db2.gz JXBFYQIJRJNDPT-MFKMUULPSA-N 1 0 381.249 2.716 20 0 GFADRO CCN(C(=O)[C@@H](C)[NH2+][C@H]1CCc2ncc(Br)n2C1)c1ccccc1 ZINC000901731260 663744093 /nfs/dbraw/zinc/74/40/93/663744093.db2.gz ZQEHOFDYYIBOIW-KGLIPLIRSA-N 1 0 391.313 2.992 20 0 GFADRO COc1c[nH]c(CO)c(C[NH2+]C(C)(C)c2ccc(Br)cc2)c1=O ZINC000902090340 663755017 /nfs/dbraw/zinc/75/50/17/663755017.db2.gz QZMBUNXZXFXEQT-UHFFFAOYSA-N 1 0 381.270 2.663 20 0 GFADRO O=C(CC[N@@H+]1CC[C@H](Nc2ncccn2)C1)Nc1ccccc1Br ZINC000903021134 663771183 /nfs/dbraw/zinc/77/11/83/663771183.db2.gz OEJZNMLZUZPLPA-ZDUSSCGKSA-N 1 0 390.285 2.754 20 0 GFADRO CC[NH+](CC)CCOc1ccc(NS(=O)(=O)N=S(=O)(CC)CC)cc1 ZINC000903095203 663773338 /nfs/dbraw/zinc/77/33/38/663773338.db2.gz SSLWHWQUBRVPPB-UHFFFAOYSA-N 1 0 391.559 2.572 20 0 GFADRO Cc1cc(C(F)(F)F)nn1CC[NH2+][C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000903163310 663776568 /nfs/dbraw/zinc/77/65/68/663776568.db2.gz BTOMMSBLZPSECV-LBPRGKRZSA-N 1 0 375.416 2.965 20 0 GFADRO C[C@H]([NH2+]C[C@@H]1CC[C@@H](C(F)(F)F)O1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000903181939 663777277 /nfs/dbraw/zinc/77/72/77/663777277.db2.gz YNWSNTMFAKNRRP-WHOFXGATSA-N 1 0 380.432 2.697 20 0 GFADRO C[C@H]([NH2+]CCN1Cc2ccccc2OCC1=O)c1ccc(Br)cn1 ZINC000903181606 663777382 /nfs/dbraw/zinc/77/73/82/663777382.db2.gz RUNPVQILMVUIEQ-ZDUSSCGKSA-N 1 0 390.281 2.916 20 0 GFADRO CO[C@H](C[NH2+][C@H](C)c1cccc(S(=O)(=O)C(F)(F)F)c1)[C@H]1CCOC1 ZINC000903195889 663778028 /nfs/dbraw/zinc/77/80/28/663778028.db2.gz CMWIEKJNUIFZPW-OSAQELSMSA-N 1 0 381.416 2.682 20 0 GFADRO COc1ncc([C@H](C)[NH2+]C[C@H]2CCCC[C@@H]2NS(C)(=O)=O)cc1Cl ZINC000903232772 663780016 /nfs/dbraw/zinc/78/00/16/663780016.db2.gz BYYJGBNFASSQGY-ZOWXZIJZSA-N 1 0 375.922 2.502 20 0 GFADRO Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+]CCS(=O)(=O)N1CCCC1 ZINC000903290660 663780895 /nfs/dbraw/zinc/78/08/95/663780895.db2.gz BNCRFVPCZCRJTB-CYBMUJFWSA-N 1 0 380.539 2.590 20 0 GFADRO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NCc1ncc(Br)cn1 ZINC000903318458 663781235 /nfs/dbraw/zinc/78/12/35/663781235.db2.gz KVPDEMIOSDKJTE-CJNGLKHVSA-N 1 0 376.302 2.634 20 0 GFADRO CO[C@]1(C[NH2+][C@@H](C)c2ccc(SCC(F)F)cc2)CCS(=O)(=O)C1 ZINC000903369479 663783187 /nfs/dbraw/zinc/78/31/87/663783187.db2.gz XWNAZYCESBGLKC-LRDDRELGSA-N 1 0 379.494 2.898 20 0 GFADRO COc1ccc([C@H](C)[NH2+][C@@H]2CCN(c3cc(=O)[nH]cn3)C2)cc1Br ZINC000903398091 663783744 /nfs/dbraw/zinc/78/37/44/663783744.db2.gz QSSGZCKRNRYRKJ-WCQYABFASA-N 1 0 393.285 2.883 20 0 GFADRO O=c1cc(N2CC[C@@H]([NH2+][C@H](c3nc(Br)cs3)C3CC3)C2)nc[nH]1 ZINC000903399531 663783930 /nfs/dbraw/zinc/78/39/30/663783930.db2.gz NPWWQXCZMSNUHX-YGRLFVJLSA-N 1 0 396.314 2.721 20 0 GFADRO C[C@@H]([NH2+]Cc1cnc2n1CCOC2)c1ccc(I)cc1 ZINC000903418699 663784152 /nfs/dbraw/zinc/78/41/52/663784152.db2.gz NUGCNAPAUQXOSP-LLVKDONJSA-N 1 0 383.233 2.869 20 0 GFADRO C[C@@H]([NH2+]CCCn1ccc(=O)[nH]c1=O)c1ncc(C(F)(F)F)cc1Cl ZINC000903430263 663784399 /nfs/dbraw/zinc/78/43/99/663784399.db2.gz WNKCIKHMLATXFM-SECBINFHSA-N 1 0 376.766 2.757 20 0 GFADRO O=S(=O)(N[C@H]1CC[NH2+]C2(CCC2)C1)c1c[nH]c2cc(Br)ccc21 ZINC000903511570 663786065 /nfs/dbraw/zinc/78/60/65/663786065.db2.gz VUXPXHBZTGQMNH-LBPRGKRZSA-N 1 0 398.326 2.883 20 0 GFADRO [NH3+]CC1(c2ccccc2)CCN(S(=O)(=O)Cc2ccc(Cl)nc2)CC1 ZINC000903531645 663787514 /nfs/dbraw/zinc/78/75/14/663787514.db2.gz RAPWRQXBJJFWMW-UHFFFAOYSA-N 1 0 379.913 2.557 20 0 GFADRO O=S(=O)(N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)c1cc(C(F)(F)F)ccc1Br ZINC000903561089 663788752 /nfs/dbraw/zinc/78/87/52/663788752.db2.gz PICBDSMFNZZIQQ-JMJZKYOTSA-N 1 0 399.232 2.639 20 0 GFADRO [NH3+]C[C@H]1C[C@H](NS(=O)(=O)c2csnc2-c2cccc(C(F)(F)F)c2)C1 ZINC000903569953 663788978 /nfs/dbraw/zinc/78/89/78/663788978.db2.gz RYESZQFSIGTDRF-OTCDBFHCSA-N 1 0 391.440 2.845 20 0 GFADRO [NH3+]C[C@H]1C[C@H](NS(=O)(=O)c2c(Cl)cc(Br)cc2Cl)C1 ZINC000903570801 663789098 /nfs/dbraw/zinc/78/90/98/663789098.db2.gz CSTPCVUXWOMQLO-FKQCQYRASA-N 1 0 388.114 2.772 20 0 GFADRO Cc1cc(S(=O)(=O)N[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)sc1C ZINC000903573426 663789502 /nfs/dbraw/zinc/78/95/02/663789502.db2.gz IJHHWABPJKXPLD-QAPCUYQASA-N 1 0 378.519 2.899 20 0 GFADRO [NH3+][C@@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC[C@@H]1C(F)(F)F ZINC000903576981 663789796 /nfs/dbraw/zinc/78/97/96/663789796.db2.gz BDOPHFICFPUQFV-WDEREUQCSA-N 1 0 376.322 2.606 20 0 GFADRO [NH3+][C@@H]1CN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC[C@H]1C(F)(F)F ZINC000903577009 663789831 /nfs/dbraw/zinc/78/98/31/663789831.db2.gz CJLAENFWEAVCOF-PSASIEDQSA-N 1 0 377.215 2.894 20 0 GFADRO [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(S(=O)(=O)c1cc(Cl)cc(Br)c1)C2 ZINC000903579615 663790077 /nfs/dbraw/zinc/79/00/77/663790077.db2.gz NWGFLDGUHAAFHU-AXTRIDKLSA-N 1 0 379.707 2.603 20 0 GFADRO [NH3+]C[C@]12CC[C@@H]1CCN2S(=O)(=O)c1cccc(Cl)c1Br ZINC000903590744 663790784 /nfs/dbraw/zinc/79/07/84/663790784.db2.gz ZFKJGNBCELCZDN-NOZJJQNGSA-N 1 0 379.707 2.604 20 0 GFADRO O=S(=O)(c1cccc(Br)c1Cl)N1CCC[C@@]12CC[NH2+]C2 ZINC000903593948 663791122 /nfs/dbraw/zinc/79/11/22/663791122.db2.gz ZWDXVPKLYLWJSZ-ZDUSSCGKSA-N 1 0 379.707 2.619 20 0 GFADRO O=S(=O)(c1oc2ccccc2c1Br)N1CCC[C@]12CC[NH2+]C2 ZINC000903591549 663791146 /nfs/dbraw/zinc/79/11/46/663791146.db2.gz FVYXRDAIWICHBM-OAHLLOKOSA-N 1 0 385.283 2.712 20 0 GFADRO [NH3+]CCc1ccc2c(c1)CCCN2S(=O)(=O)c1onc(C2CC2)c1Cl ZINC000903599555 663791443 /nfs/dbraw/zinc/79/14/43/663791443.db2.gz VTDGSOXVPQZKDI-UHFFFAOYSA-N 1 0 381.885 2.848 20 0 GFADRO Brc1ccc([C@@H]2CCCN2Cc2cnnn2[C@@H]2CCC[NH2+]C2)nc1 ZINC000903929918 663812193 /nfs/dbraw/zinc/81/21/93/663812193.db2.gz OBRXOXZHBZXKTL-PBHICJAKSA-N 1 0 391.317 2.697 20 0 GFADRO O=S1(=O)CCNC[C@H]1CC[NH2+]Cc1cc(Cl)ccc1OC1CCCC1 ZINC000903968848 663813960 /nfs/dbraw/zinc/81/39/60/663813960.db2.gz PAPVNJKZFAGZKR-QGZVFWFLSA-N 1 0 386.945 2.528 20 0 GFADRO C[N@@H+]1CC[C@H](Cc2nc(COc3ccc(I)cc3)no2)C1 ZINC000904066042 663822015 /nfs/dbraw/zinc/82/20/15/663822015.db2.gz JBJDLVGJBBAQFQ-LLVKDONJSA-N 1 0 399.232 2.747 20 0 GFADRO Cc1c(-c2nc([C@@H]3CCC[NH2+]C3)no2)nnn1-c1ccccc1Br ZINC000904073572 663822509 /nfs/dbraw/zinc/82/25/09/663822509.db2.gz SMGZUFGONIVMLB-LLVKDONJSA-N 1 0 389.257 2.855 20 0 GFADRO O=C1O[C@@H](c2nc([C@H]3CCC[NH2+]C3)no2)Cc2ccc(Br)cc21 ZINC000904073288 663822564 /nfs/dbraw/zinc/82/25/64/663822564.db2.gz KUQDMEKYECTUQQ-GXFFZTMASA-N 1 0 378.226 2.753 20 0 GFADRO Cc1cc(I)ccc1NC(=O)N1CCC[C@]12CC[NH2+]C2 ZINC000904274707 663829954 /nfs/dbraw/zinc/82/99/54/663829954.db2.gz QBCHVFMLTSABMM-OAHLLOKOSA-N 1 0 385.249 2.959 20 0 GFADRO [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)Nc1cccc(F)c1I)C2 ZINC000904394552 663832584 /nfs/dbraw/zinc/83/25/84/663832584.db2.gz WEXZDZDJKFHECX-GUBZILKMSA-N 1 0 389.212 2.774 20 0 GFADRO CN(C(=O)Nc1cc(F)c(Br)c(F)c1)C1(C[NH3+])CCOCC1 ZINC000904405943 663833110 /nfs/dbraw/zinc/83/31/10/663833110.db2.gz BBRMXWDQFUXBPN-UHFFFAOYSA-N 1 0 378.217 2.699 20 0 GFADRO COCCOc1ccc(Br)cc1NC(=O)N1CCC[C@@]12CC[NH2+]C2 ZINC000904412025 663833431 /nfs/dbraw/zinc/83/34/31/663833431.db2.gz ZTTVISNPNYVEGP-KRWDZBQOSA-N 1 0 398.301 2.834 20 0 GFADRO COC(=O)c1c(C)c(NC(=O)N2CC[C@@H]3CC[C@@]32C[NH3+])ccc1Br ZINC000904442501 663834559 /nfs/dbraw/zinc/83/45/59/663834559.db2.gz DGEXFUJRQSNSJB-APPDUMDISA-N 1 0 396.285 2.889 20 0 GFADRO CN(C(=O)Nc1cc2c(cc1Br)CCC2)C1(C[NH3+])CCOCC1 ZINC000904449287 663834756 /nfs/dbraw/zinc/83/47/56/663834756.db2.gz HYNPDTXVXWMPRU-UHFFFAOYSA-N 1 0 382.302 2.909 20 0 GFADRO COC(=O)c1cccc(NC(=O)N2CCC[C@@H]3CC[C@@]32C[NH3+])c1Br ZINC000904449082 663834786 /nfs/dbraw/zinc/83/47/86/663834786.db2.gz FYUPBILCDLKXAA-PIGZYNQJSA-N 1 0 396.285 2.971 20 0 GFADRO COC[C@@H]1C[NH2+]CCN1C(=O)Nc1ccc(OCC(F)(F)F)c(Cl)c1 ZINC000904476165 663835744 /nfs/dbraw/zinc/83/57/44/663835744.db2.gz RPLUJIDDAPHNQZ-NSHDSACASA-N 1 0 381.782 2.733 20 0 GFADRO COC[C@@H]1C[NH2+]CCN1C(=O)Nc1cc(OC)c(Br)cc1Cl ZINC000904526885 663836964 /nfs/dbraw/zinc/83/69/64/663836964.db2.gz IUROEOZGFCCNFR-VIFPVBQESA-N 1 0 392.681 2.563 20 0 GFADRO O=C(Nc1ccnn1Cc1ccc(Cl)s1)N[C@@H]1C[NH2+]CCC1(F)F ZINC000904547178 663837257 /nfs/dbraw/zinc/83/72/57/663837257.db2.gz AZTFYHDUKDVOPG-SNVBAGLBSA-N 1 0 375.832 2.765 20 0 GFADRO COCCOc1ccc(NC(=O)N2CCCC[C@H]2C[NH3+])cc1Br ZINC000904549922 663837518 /nfs/dbraw/zinc/83/75/18/663837518.db2.gz ZBSWDNBCVLPFQD-ZDUSSCGKSA-N 1 0 386.290 2.819 20 0 GFADRO CCN(CC)S(=O)(=O)c1ccc(C[NH2+]C[C@@](O)(CC)C(F)(F)F)cc1 ZINC000905027576 663849943 /nfs/dbraw/zinc/84/99/43/663849943.db2.gz PTXDXYGGGQENRE-HNNXBMFYSA-N 1 0 382.448 2.510 20 0 GFADRO O[C@@H](C[NH2+][C@@H]1CCN(c2cccc(Br)c2)C1)CC1(O)CCCC1 ZINC000905236893 663861328 /nfs/dbraw/zinc/86/13/28/663861328.db2.gz GGJZZRNILAZNEM-NVXWUHKLSA-N 1 0 383.330 2.674 20 0 GFADRO O=c1c(-c2nc(CC3CC[NH2+]CC3)no2)cc(Br)cn1C1CC1 ZINC000905308917 663865338 /nfs/dbraw/zinc/86/53/38/663865338.db2.gz SKEKULWHHLSVBN-UHFFFAOYSA-N 1 0 379.258 2.538 20 0 GFADRO C[C@@H](NS(=O)(=O)CC1CC[NH2+]CC1)c1ccc(OCC(F)(F)F)cc1 ZINC000905334438 663866221 /nfs/dbraw/zinc/86/62/21/663866221.db2.gz IMGMOVPOIZCUIE-GFCCVEGCSA-N 1 0 380.432 2.608 20 0 GFADRO CC(C)(C)OC(=O)NC[C@@H](O)C[NH2+]C[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC000905349244 663867045 /nfs/dbraw/zinc/86/70/45/663867045.db2.gz HLBLDRHIIYSQSP-SMDDNHRTSA-N 1 0 379.284 2.502 20 0 GFADRO CC1(C)C[NH2+][C@@H]1C1CCN(S(=O)(=O)c2c[nH]c3nccc(Cl)c23)CC1 ZINC000905355519 663867214 /nfs/dbraw/zinc/86/72/14/663867214.db2.gz FUUOIENEGCCCNG-OAHLLOKOSA-N 1 0 382.917 2.615 20 0 GFADRO CC(C)(C)OC(=O)N[C@H]1C[C@@H](C[NH2+]C[C@](C)(O)C(F)(F)C(F)(F)F)C1 ZINC000905407199 663869995 /nfs/dbraw/zinc/86/99/95/663869995.db2.gz AWISSLVYEJIAOC-CWSCBRNRSA-N 1 0 376.366 2.828 20 0 GFADRO O[C@@H](C[NH2+]CCc1cc(Cl)cc(Br)c1)COC1CCOCC1 ZINC000905416279 663870552 /nfs/dbraw/zinc/87/05/52/663870552.db2.gz AGACAKLXLWNAOR-HNNXBMFYSA-N 1 0 392.721 2.791 20 0 GFADRO O[C@@H](C[NH2+]Cc1cc2cc(Br)ccc2o1)COC1CCOCC1 ZINC000905417192 663870604 /nfs/dbraw/zinc/87/06/04/663870604.db2.gz GZGLZQGZCACRMF-AWEZNQCLSA-N 1 0 384.270 2.841 20 0 GFADRO C[C@](O)(C[NH2+]C[C@H](CO)Cc1ccoc1)c1ccc(Br)cc1F ZINC000905420302 663870813 /nfs/dbraw/zinc/87/08/13/663870813.db2.gz RMUWLJFPCONECB-DYVFJYSZSA-N 1 0 386.261 2.830 20 0 GFADRO Cn1cc(C[NH2+]C[C@H](O)COCc2ccc(Cl)cc2)c(Br)n1 ZINC000905519436 663875696 /nfs/dbraw/zinc/87/56/96/663875696.db2.gz CLDOFYCOTITOCN-AWEZNQCLSA-N 1 0 388.693 2.503 20 0 GFADRO CN1C[C@@H](CC[NH2+]C[C@@](C)(O)c2ccc(Br)cc2Cl)CC1=O ZINC000905525832 663876280 /nfs/dbraw/zinc/87/62/80/663876280.db2.gz RMVFNQUTBPZWDN-MEDUHNTESA-N 1 0 389.721 2.768 20 0 GFADRO C[C@](O)(C[NH2+]C[C@H]1C[C@@H]2COC[C@@H]2O1)c1ccc(Br)cc1Cl ZINC000905573328 663879160 /nfs/dbraw/zinc/87/91/60/663879160.db2.gz VLZZFMSBAZOQRY-RPCMGYBJSA-N 1 0 390.705 2.704 20 0 GFADRO O[C@H](C[NH2+]Cc1c(Cl)cc(Br)cc1Cl)C[C@]1(O)CCOC1 ZINC000905616941 663881753 /nfs/dbraw/zinc/88/17/53/663881753.db2.gz AYQGSVAWTXHMHM-IINYFYTJSA-N 1 0 399.112 2.748 20 0 GFADRO Cn1cc([C@]2(C[NH2+]C[C@H](O)c3ccc(Br)cc3)CCCO2)cn1 ZINC000905688644 663886331 /nfs/dbraw/zinc/88/63/31/663886331.db2.gz XTPSWUAZHSBLOM-DLBZAZTESA-N 1 0 380.286 2.512 20 0 GFADRO CN(c1cccc(C[NH2+]C[C@H](O)c2ccc(F)cc2Cl)c1)S(C)(=O)=O ZINC000905697640 663887159 /nfs/dbraw/zinc/88/71/59/663887159.db2.gz BRYRVSHBALZIGR-KRWDZBQOSA-N 1 0 386.876 2.698 20 0 GFADRO CSc1ccc(Br)cc1CC[NH2+]C1CC[NH+](CC(=O)[O-])CC1 ZINC000905778285 663892043 /nfs/dbraw/zinc/89/20/43/663892043.db2.gz VVMNCMJYJJBDOV-UHFFFAOYSA-N 1 0 387.343 2.852 20 0 GFADRO CC(C)[NH2+]Cc1cn([C@H](C)C(=O)N(C)Cc2ccc(Br)cc2)nn1 ZINC000905793395 663892682 /nfs/dbraw/zinc/89/26/82/663892682.db2.gz SRFGQOXGPQNYML-CYBMUJFWSA-N 1 0 394.317 2.758 20 0 GFADRO NC(=O)[C@H]([NH2+]C[C@@H]1CC[C@H](C(F)(F)F)O1)c1cccc(Br)c1 ZINC000905850223 663896493 /nfs/dbraw/zinc/89/64/93/663896493.db2.gz GMEJJOAYDWMTKB-QJPTWQEYSA-N 1 0 381.192 2.675 20 0 GFADRO C[NH+](C)C1(CNC(=O)c2cc(Br)cn(C3CC3)c2=O)CCCC1 ZINC000906227363 663933049 /nfs/dbraw/zinc/93/30/49/663933049.db2.gz PVFBTIQBTXJHCJ-UHFFFAOYSA-N 1 0 382.302 2.550 20 0 GFADRO C[N@H+](CCNC(=O)c1ccc(Cn2cc(Br)cn2)s1)C1CC1 ZINC000906405331 663945562 /nfs/dbraw/zinc/94/55/62/663945562.db2.gz RACSKINBOYGPNZ-UHFFFAOYSA-N 1 0 383.315 2.579 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(Cn2cc(Br)cn2)s1 ZINC000906413339 663946234 /nfs/dbraw/zinc/94/62/34/663946234.db2.gz YKKWSLAYHCILCR-GFCCVEGCSA-N 1 0 395.326 2.722 20 0 GFADRO C[NH+](C)C[C@H]1CCCN1C(=O)c1ccc(Cn2cc(Br)cn2)s1 ZINC000906523410 663955775 /nfs/dbraw/zinc/95/57/75/663955775.db2.gz HUXFUUCBBKIAKE-CYBMUJFWSA-N 1 0 397.342 2.922 20 0 GFADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)c1cc(Br)cn(C2CC2)c1=O ZINC000906715571 663966743 /nfs/dbraw/zinc/96/67/43/663966743.db2.gz SEQMDSATOQBCKZ-ZDUSSCGKSA-N 1 0 382.302 2.550 20 0 GFADRO CC[NH+](CC)[C@@H]1CCN(C(=O)C(F)(F)c2ncccc2Br)C1 ZINC000906848453 663976465 /nfs/dbraw/zinc/97/64/65/663976465.db2.gz IULPBSKLNICADW-LLVKDONJSA-N 1 0 376.245 2.879 20 0 GFADRO C[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2c[nH]c3c2cccc3Br)C1 ZINC000906932659 663983872 /nfs/dbraw/zinc/98/38/72/663983872.db2.gz HFNFPATYTIAXQI-NSHDSACASA-N 1 0 386.315 2.551 20 0 GFADRO C[NH+](C)C[C@@H]1CCN(S(=O)(=O)c2c[nH]c3c2cccc3Br)C1 ZINC000906951104 663985598 /nfs/dbraw/zinc/98/55/98/663985598.db2.gz QLUBALNQUWXFDV-NSHDSACASA-N 1 0 386.315 2.503 20 0 GFADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3cc(Br)cn(C4CC4)c3=O)CC[C@H]21 ZINC000907038716 663995692 /nfs/dbraw/zinc/99/56/92/663995692.db2.gz ULAZDMNLHSOZKV-MLGOLLRUSA-N 1 0 394.313 2.502 20 0 GFADRO COc1cccc(S(=O)(=O)N(CC[NH+](C)C)Cc2ccsc2)c1OC ZINC000907241954 664015257 /nfs/dbraw/zinc/01/52/57/664015257.db2.gz JUSHXLYAAZDZGQ-UHFFFAOYSA-N 1 0 384.523 2.518 20 0 GFADRO C[C@H](NC(=O)c1cnnn1-c1cc(Cl)ccc1Cl)C1=CC[N@H+](C)CC1 ZINC000907284029 664019645 /nfs/dbraw/zinc/01/96/45/664019645.db2.gz SZHVZHUOSRJWNJ-NSHDSACASA-N 1 0 380.279 2.954 20 0 GFADRO O=C(NCc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccnc(Cl)c1Cl ZINC000907291065 664020033 /nfs/dbraw/zinc/02/00/33/664020033.db2.gz HSKKSUSXAGUZDS-AWEZNQCLSA-N 1 0 380.275 2.885 20 0 GFADRO Cc1cc(NC(=O)C2CCC([NH+]3CCOCC3)CC2)cnc1Br ZINC000907311447 664022283 /nfs/dbraw/zinc/02/22/83/664022283.db2.gz BHFPEGDGRMZICA-UHFFFAOYSA-N 1 0 382.302 2.982 20 0 GFADRO O=S(=O)(Cc1c(F)cccc1Cl)NC1CC[NH+](C2CCOCC2)CC1 ZINC000907328780 664023896 /nfs/dbraw/zinc/02/38/96/664023896.db2.gz QOHPMIUKKKOZTE-UHFFFAOYSA-N 1 0 390.908 2.542 20 0 GFADRO Cc1ccc(C[N@H+]2CC[C@H](CN(C)S(=O)(=O)c3c(C)noc3C)C2)s1 ZINC000907346402 664026305 /nfs/dbraw/zinc/02/63/05/664026305.db2.gz LRUWRMFUIQKZEF-OAHLLOKOSA-N 1 0 383.539 2.804 20 0 GFADRO CO[C@H](CS(=O)(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccc(C)s2)C1)C1CC1 ZINC000907348186 664027288 /nfs/dbraw/zinc/02/72/88/664027288.db2.gz ZREPIOXFQCKSHW-MAUKXSAKSA-N 1 0 386.583 2.565 20 0 GFADRO C[NH+](C)CC1(CNC(=O)c2nscc2I)CCCC1 ZINC000907378365 664030252 /nfs/dbraw/zinc/03/02/52/664030252.db2.gz ZRXGXSYDUGBLTE-UHFFFAOYSA-N 1 0 393.294 2.600 20 0 GFADRO C[N@@H+]1CCC[C@@](O)(CC(=O)Nc2nnc(-c3c(F)cccc3Cl)s2)C1 ZINC000907467653 664037084 /nfs/dbraw/zinc/03/70/84/664037084.db2.gz FSRNHYRCMOCPKI-MRXNPFEDSA-N 1 0 384.864 2.783 20 0 GFADRO Cc1cc(S(=O)(=O)N2CCC23CC[NH+](C)CC3)c(F)cc1Br ZINC000907858419 664066627 /nfs/dbraw/zinc/06/66/27/664066627.db2.gz YPJZZSYGKGHXMM-UHFFFAOYSA-N 1 0 391.306 2.755 20 0 GFADRO COc1ccc([C@H](C[NH+](C)C)NC(=O)C[C@@H](O)C(Cl)(Cl)Cl)cc1 ZINC000908090684 664082607 /nfs/dbraw/zinc/08/26/07/664082607.db2.gz DSVYSLZLQRNHQN-QWHCGFSZSA-N 1 0 383.703 2.535 20 0 GFADRO CC(C)(Cc1ccc(Br)cc1)C(=O)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000908203963 664091986 /nfs/dbraw/zinc/09/19/86/664091986.db2.gz SQCQOIOCDRQMHR-IRXDYDNUSA-N 1 0 395.341 2.685 20 0 GFADRO C[NH+]1CCC2(CCC(NC(=O)c3c(Br)nc4n3CCC4)CC2)CC1 ZINC000908492934 664110298 /nfs/dbraw/zinc/11/02/98/664110298.db2.gz LISOJVKGBLDZOG-UHFFFAOYSA-N 1 0 395.345 2.976 20 0 GFADRO CC(C)[NH2+]C1(CO)CCN(C(=O)CCc2ccccc2Br)CC1 ZINC000908592496 664115970 /nfs/dbraw/zinc/11/59/70/664115970.db2.gz GRTWZVIWNRLBOF-UHFFFAOYSA-N 1 0 383.330 2.733 20 0 GFADRO CC[C@@H](C)[NH+]1CCN(C(=O)c2cc(Br)cn(C3CC3)c2=O)CC1 ZINC000909261110 664150369 /nfs/dbraw/zinc/15/03/69/664150369.db2.gz GWOUPOPAMWNBCN-GFCCVEGCSA-N 1 0 382.302 2.502 20 0 GFADRO COc1cc(F)c(Br)cc1NC(=O)C1C[NH+](C2CCOCC2)C1 ZINC000910918317 664231174 /nfs/dbraw/zinc/23/11/74/664231174.db2.gz XUKISPZNUZLMJJ-UHFFFAOYSA-N 1 0 387.249 2.646 20 0 GFADRO Cc1cc(I)cc(C(=O)N(C2CC2)C2CC[NH2+]CC2)c1 ZINC000911679215 664252391 /nfs/dbraw/zinc/25/23/91/664252391.db2.gz WFWVLUGHCJWLTG-UHFFFAOYSA-N 1 0 384.261 2.956 20 0 GFADRO CN(C(=O)c1cnn(Cc2ccccc2)c1Br)C1CC[NH2+]CC1 ZINC000911694112 664253334 /nfs/dbraw/zinc/25/33/34/664253334.db2.gz SXFHXEKDCBXAPD-UHFFFAOYSA-N 1 0 377.286 2.518 20 0 GFADRO C[C@H](NC(=O)c1cc(Br)c(Br)[nH]1)[C@@H]1CCC[NH2+]C1 ZINC000911726724 664254301 /nfs/dbraw/zinc/25/43/01/664254301.db2.gz VEFJNNRAJMMUOP-JGVFFNPUSA-N 1 0 379.096 2.658 20 0 GFADRO C[NH2+]C[C@H]1CCN(C(=O)c2cc(C)n(-c3ccccc3Br)n2)C1 ZINC000911776977 664256369 /nfs/dbraw/zinc/25/63/69/664256369.db2.gz FLPLOJZBNHBUHM-CYBMUJFWSA-N 1 0 377.286 2.625 20 0 GFADRO C[C@H]1CN(C(=O)c2cnn(Cc3ccccc3)c2Br)CC[C@H]1[NH3+] ZINC000911824535 664257552 /nfs/dbraw/zinc/25/75/52/664257552.db2.gz OBSDKNGQVZGSSK-SWLSCSKDSA-N 1 0 377.286 2.503 20 0 GFADRO CC1(C)C[NH2+]CCN1C(=O)c1ccc(Cn2cc(Br)cn2)s1 ZINC000911846849 664258686 /nfs/dbraw/zinc/25/86/86/664258686.db2.gz NUPYQQKZFBGPJU-UHFFFAOYSA-N 1 0 383.315 2.579 20 0 GFADRO O=C(c1cc(Br)c(Br)[nH]1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000911852871 664258713 /nfs/dbraw/zinc/25/87/13/664258713.db2.gz UEAPGRZWUUELNC-SFYZADRCSA-N 1 0 377.080 2.506 20 0 GFADRO C[NH+]1CCC(N(CCO)C(=O)c2cnc(-c3ccccc3Cl)s2)CC1 ZINC000911937613 664262436 /nfs/dbraw/zinc/26/24/36/664262436.db2.gz XNWLJQLSLZLZTM-UHFFFAOYSA-N 1 0 379.913 2.992 20 0 GFADRO C[NH+]1CCC(N(CCO)C(=O)CCSc2nc3ccccc3s2)CC1 ZINC000911936142 664262523 /nfs/dbraw/zinc/26/25/23/664262523.db2.gz WXZLGNIKTVLKDP-UHFFFAOYSA-N 1 0 379.551 2.694 20 0 GFADRO CC(C)Oc1cc(Br)cc(C(=O)N(CCO)C2CC[NH+](C)CC2)c1 ZINC000911940586 664262789 /nfs/dbraw/zinc/26/27/89/664262789.db2.gz RZBYYYCTMFYISA-UHFFFAOYSA-N 1 0 399.329 2.765 20 0 GFADRO C[NH+]1CCC(N(CCO)C(=O)CCc2nc3cc(Cl)ccc3s2)CC1 ZINC000911938103 664262879 /nfs/dbraw/zinc/26/28/79/664262879.db2.gz CBFZRSFBEWBSRI-UHFFFAOYSA-N 1 0 381.929 2.797 20 0 GFADRO Brc1nnc(-c2ccc(N3CC[NH+](C[C@@H]4CCOC4)CC3)cc2)o1 ZINC000911970201 664264199 /nfs/dbraw/zinc/26/41/99/664264199.db2.gz XOMIZOSGYUOUCU-ZDUSSCGKSA-N 1 0 393.285 2.658 20 0 GFADRO Cc1nc(-c2ccc(CCNC(=O)C3([C@@H](C)[NH3+])CCOCC3)s2)cs1 ZINC000912156470 664272300 /nfs/dbraw/zinc/27/23/00/664272300.db2.gz RUTGWIVXAQHZPZ-GFCCVEGCSA-N 1 0 379.551 2.983 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)c2cccn3ncc(Br)c23)C1 ZINC000912283665 664279421 /nfs/dbraw/zinc/27/94/21/664279421.db2.gz KKIINUGONWLOQG-LBPRGKRZSA-N 1 0 379.302 2.947 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)c2nscc2I)C1 ZINC000912284716 664279937 /nfs/dbraw/zinc/27/99/37/664279937.db2.gz RWOCVCVNLUUQRE-SECBINFHSA-N 1 0 393.294 2.598 20 0 GFADRO O=C(NC[C@@H](O)c1ccccc1Cl)c1cnc(CC2CC[NH2+]CC2)s1 ZINC000912364055 664283467 /nfs/dbraw/zinc/28/34/67/664283467.db2.gz FXMPDYDSEOXOCG-OAHLLOKOSA-N 1 0 379.913 2.802 20 0 GFADRO CSCC[C@H]([NH3+])CC(=O)Nc1cc(C(=O)NCC(F)(F)F)ccc1C ZINC000912449471 664287178 /nfs/dbraw/zinc/28/71/78/664287178.db2.gz REVJKPUPAKDAQI-LBPRGKRZSA-N 1 0 377.432 2.696 20 0 GFADRO C[NH+](C)CCCOC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 ZINC000912593044 664294421 /nfs/dbraw/zinc/29/44/21/664294421.db2.gz UXOUWFAWXJNNKL-UHFFFAOYSA-N 1 0 388.917 2.623 20 0 GFADRO Cc1ccc(F)c(Br)c1C(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000912715455 664299435 /nfs/dbraw/zinc/29/94/35/664299435.db2.gz WTWQHPWBGISKLM-CYBMUJFWSA-N 1 0 385.277 2.568 20 0 GFADRO CCC[N@H+](C)CC(C)(C)NC(=O)c1cc(Br)cn(C2CC2)c1=O ZINC000912719175 664299519 /nfs/dbraw/zinc/29/95/19/664299519.db2.gz QIYUJKIGQDHKIZ-UHFFFAOYSA-N 1 0 384.318 2.796 20 0 GFADRO C[C@H](C[NH+](C)C)[C@@H]1CCCCN1C(=O)c1nn2c(c1Br)CCC2 ZINC000912802841 664303115 /nfs/dbraw/zinc/30/31/15/664303115.db2.gz HJRUSNWAFWVOEW-OLZOCXBDSA-N 1 0 383.334 2.784 20 0 GFADRO COc1ccc(Br)cc1C1(C(=O)N2CC[C@H]([NH+]3CCC3)C2)CC1 ZINC000912904876 664309429 /nfs/dbraw/zinc/30/94/29/664309429.db2.gz VEDNFBZBPIRESH-AWEZNQCLSA-N 1 0 379.298 2.796 20 0 GFADRO O=C(CSc1nnc(-c2ccc(Cl)cc2)o1)N1CC[C@H]([NH+]2CCC2)C1 ZINC000912925386 664310556 /nfs/dbraw/zinc/31/05/56/664310556.db2.gz ITKRPIYHFXTGQG-AWEZNQCLSA-N 1 0 378.885 2.789 20 0 GFADRO COc1nsc(CNC(=O)C[N@H+](C)CCc2ccccc2)c1Br ZINC000912944474 664311432 /nfs/dbraw/zinc/31/14/32/664311432.db2.gz AYROSQURJCABMT-UHFFFAOYSA-N 1 0 398.326 2.705 20 0 GFADRO O=C(NCc1ccnc(Br)c1)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000913076510 664320058 /nfs/dbraw/zinc/32/00/58/664320058.db2.gz AYFLSNVSUXPSGL-CQSZACIVSA-N 1 0 384.343 2.678 20 0 GFADRO C[NH+](C)C1(C)CCN(C(=O)CCNC(=O)c2ccc(Br)cc2)CC1 ZINC000913401659 664334926 /nfs/dbraw/zinc/33/49/26/664334926.db2.gz XWSMKJUYYVBJKO-UHFFFAOYSA-N 1 0 396.329 2.512 20 0 GFADRO C[NH+]1CCC(n2cc(NC(=O)[C@@H](O)c3cccc(Br)c3)cn2)CC1 ZINC000913660222 664348235 /nfs/dbraw/zinc/34/82/35/664348235.db2.gz RSMQAYXXDGRSHT-INIZCTEOSA-N 1 0 393.285 2.584 20 0 GFADRO C[NH+](C)CC1(O)CCN(C(=O)C2(Cc3ccccc3Br)CC2)CC1 ZINC000913677042 664348941 /nfs/dbraw/zinc/34/89/41/664348941.db2.gz XTTQXTWUADGCRD-UHFFFAOYSA-N 1 0 395.341 2.687 20 0 GFADRO C[NH+](C)CC1(O)CCN(C(=O)c2cc(Cl)c(Br)cc2F)CC1 ZINC000913677194 664348965 /nfs/dbraw/zinc/34/89/65/664348965.db2.gz DQOUFFKJCKDWJM-UHFFFAOYSA-N 1 0 393.684 2.770 20 0 GFADRO C[C@H](Sc1nc2ccccc2s1)C(=O)N1CCC(O)(C[NH+](C)C)CC1 ZINC000913679276 664349265 /nfs/dbraw/zinc/34/92/65/664349265.db2.gz UNBXEAGDQFQGOE-ZDUSSCGKSA-N 1 0 379.551 2.692 20 0 GFADRO C[C@@H](Cc1ccc(Br)cc1)C(=O)N1CCC(O)(C[NH+](C)C)CC1 ZINC000913678542 664349282 /nfs/dbraw/zinc/34/92/82/664349282.db2.gz NEBNUEQEYLRKTC-AWEZNQCLSA-N 1 0 383.330 2.543 20 0 GFADRO C[C@H](CC(=O)N1CCC(O)(C[NH+](C)C)CC1)c1ccc(Br)cc1 ZINC000913679217 664349306 /nfs/dbraw/zinc/34/93/06/664349306.db2.gz RCVOVUYOXNESRL-CQSZACIVSA-N 1 0 383.330 2.858 20 0 GFADRO C[NH+](C)CC1(O)CCN(C(=O)c2cc(Br)ccc2C2CC2)CC1 ZINC000913683077 664349923 /nfs/dbraw/zinc/34/99/23/664349923.db2.gz LXNGLWMJIULUQP-UHFFFAOYSA-N 1 0 381.314 2.855 20 0 GFADRO C[NH+](C)C1CCN(S(=O)(=O)Cc2cccc(Cl)c2Br)CC1 ZINC000913912810 664365395 /nfs/dbraw/zinc/36/53/95/664365395.db2.gz IYGMJIBYAUDLQU-UHFFFAOYSA-N 1 0 395.750 2.958 20 0 GFADRO C[C@@H](CNC(=O)N(C)Cc1ncc(Br)cn1)[N@@H+]1CCCC[C@@H]1C ZINC000914072879 664374385 /nfs/dbraw/zinc/37/43/85/664374385.db2.gz ZWTKNHFDGIUPKO-STQMWFEESA-N 1 0 384.322 2.643 20 0 GFADRO C[N@@H+]1CCC[C@@H](CNS(=O)(=O)Cc2cccc(Cl)c2Br)C1 ZINC000914081188 664375156 /nfs/dbraw/zinc/37/51/56/664375156.db2.gz RBXHOZCFLDIQCI-NSHDSACASA-N 1 0 395.750 2.864 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)N1CCC[C@@H]1c1ncc(Br)cn1 ZINC000914150654 664379831 /nfs/dbraw/zinc/37/98/31/664379831.db2.gz QCCYCKZREWAVCK-RBSFLKMASA-N 1 0 394.317 2.712 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)N1CCC[C@@H]1c1ncc(Br)cn1 ZINC000914150653 664379854 /nfs/dbraw/zinc/37/98/54/664379854.db2.gz QCCYCKZREWAVCK-QLFBSQMISA-N 1 0 394.317 2.712 20 0 GFADRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)S(=O)(=O)Cc1cccc(F)c1Br ZINC000914179031 664383363 /nfs/dbraw/zinc/38/33/63/664383363.db2.gz YDJQRAKOTGTWNT-FZMZJTMJSA-N 1 0 393.322 2.690 20 0 GFADRO CC[N@H+](C)C[C@H]1CCN(S(=O)(=O)Cc2ccc(F)cc2Br)C1 ZINC000914205685 664385366 /nfs/dbraw/zinc/38/53/66/664385366.db2.gz XGQUVPOHTRVMOI-GFCCVEGCSA-N 1 0 393.322 2.692 20 0 GFADRO C[C@H](CNC(=O)NC1(c2ncc(Br)cn2)CCC1)[NH+]1CCCCC1 ZINC000914294814 664395890 /nfs/dbraw/zinc/39/58/90/664395890.db2.gz GTTVPFXQDLSQQG-CYBMUJFWSA-N 1 0 396.333 2.792 20 0 GFADRO C[C@@H]1CCC[C@](CNC(=O)NCc2cnc(Br)cn2)([NH+](C)C)C1 ZINC000914313904 664398103 /nfs/dbraw/zinc/39/81/03/664398103.db2.gz IIQZDGMVMJEHCG-WBMJQRKESA-N 1 0 384.322 2.549 20 0 GFADRO CC(C)[C@@H](CNS(=O)(=O)/C=C\c1ccc(Cl)cc1)N1CC[NH+](C)CC1 ZINC000915354552 664428851 /nfs/dbraw/zinc/42/88/51/664428851.db2.gz ILUYJNLPDBFSAG-RUEYPURISA-N 1 0 385.961 2.502 20 0 GFADRO COc1ccc(Br)c(C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC000915625030 664436037 /nfs/dbraw/zinc/43/60/37/664436037.db2.gz HBYMPQPAPKXCSS-HNNXBMFYSA-N 1 0 397.313 2.831 20 0 GFADRO CCOC(=O)N[C@H]1CCC[N@H+](C[C@@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000915681278 664437317 /nfs/dbraw/zinc/43/73/17/664437317.db2.gz WMTJZHGPBWYIHD-UONOGXRCSA-N 1 0 391.295 2.944 20 0 GFADRO COCC[N@@H+]1CCCN(C(=O)/C=C\c2ccc(C)cc2Br)CC1 ZINC000915707208 664438554 /nfs/dbraw/zinc/43/85/54/664438554.db2.gz QZAOSJJEJCDGNG-SREVYHEPSA-N 1 0 381.314 2.951 20 0 GFADRO C[NH+](C)[C@H]1C[C@@H](CNS(=O)(=O)Cc2cccc(Cl)c2Br)C1 ZINC000916801340 664471285 /nfs/dbraw/zinc/47/12/85/664471285.db2.gz PSELRAUNWZRMIH-KLPPZKSPSA-N 1 0 395.750 2.862 20 0 GFADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]CCSC(F)(F)F ZINC000916838687 664472983 /nfs/dbraw/zinc/47/29/83/664472983.db2.gz RMTINRNNAYTJSB-SECBINFHSA-N 1 0 391.868 2.547 20 0 GFADRO O=S(=O)(NCC1CC[NH+](C2CCOCC2)CC1)c1cscc1C(F)F ZINC000917156773 664477286 /nfs/dbraw/zinc/47/72/86/664477286.db2.gz BEQYTZRLEWNZED-UHFFFAOYSA-N 1 0 394.509 2.855 20 0 GFADRO CC(C)[NH2+]C1(CO)CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC000917529461 664485750 /nfs/dbraw/zinc/48/57/50/664485750.db2.gz YWFHGLMJZJKPTL-UHFFFAOYSA-N 1 0 381.325 2.507 20 0 GFADRO O=S(=O)(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(OC(F)F)c(Cl)c1 ZINC000917654144 664488028 /nfs/dbraw/zinc/48/80/28/664488028.db2.gz BMVWYSZZLATOMR-WDEREUQCSA-N 1 0 380.844 2.847 20 0 GFADRO C[C@@]1(Cc2ccc(Cl)s2)CCCN1C(=O)NC1CC[NH+](CCO)CC1 ZINC000917841827 664490735 /nfs/dbraw/zinc/49/07/35/664490735.db2.gz CIOZUPDALSIXJS-SFHVURJKSA-N 1 0 385.961 2.965 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)N1CCCC[C@H]1c1ncc(Br)cn1 ZINC000918893008 664506149 /nfs/dbraw/zinc/50/61/49/664506149.db2.gz NQJOCCQRBOBJQA-HIFRSBDPSA-N 1 0 394.317 2.712 20 0 GFADRO O=C(N[C@H]1CC[N@H+](CC2CC2)C1)N1CCC[C@H]1c1ncc(Br)cn1 ZINC000919628285 664515963 /nfs/dbraw/zinc/51/59/63/664515963.db2.gz QYIAXNUFRWOBRO-GJZGRUSLSA-N 1 0 394.317 2.570 20 0 GFADRO CCN(CC)Cc1csc(NC(=O)C[C@@H](NC(N)=O)c2cccs2)n1 ZINC000919756265 664517528 /nfs/dbraw/zinc/51/75/28/664517528.db2.gz KMEFQKSUQNYGDK-GFCCVEGCSA-N 1 0 381.527 2.785 20 0 GFADRO CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NS(=O)(=O)c3ccc(Cl)s3)C2)[C@H]1C(C)C ZINC000920296689 664524482 /nfs/dbraw/zinc/52/44/82/664524482.db2.gz VTLCAQXKTGOZGF-CZPYZCIJSA-N 1 0 392.974 2.550 20 0 GFADRO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NS(=O)(=O)c3cc(C)c(C)s3)C2)[C@H]1C(C)C ZINC000920302474 664524528 /nfs/dbraw/zinc/52/45/28/664524528.db2.gz IYHCHQOWEQZLDC-AHCXZYCDSA-N 1 0 386.583 2.513 20 0 GFADRO CCO[C@H](CNC(=O)N[C@@H](CC)c1nc(C(F)(F)F)cs1)C[NH+](C)C ZINC000921093984 664537142 /nfs/dbraw/zinc/53/71/42/664537142.db2.gz VPLHFLGQIHWBLF-MNOVXSKESA-N 1 0 382.452 2.879 20 0 GFADRO CC[N@@H+]1C[C@H](C)[C@H](NC(=O)N2CCCC[C@@H]2c2ncc(Br)cn2)C1 ZINC000921406070 664547422 /nfs/dbraw/zinc/54/74/22/664547422.db2.gz BYDFNEMJAHIIHV-NWANDNLSSA-N 1 0 396.333 2.816 20 0 GFADRO C[NH+](C)CC[C@H](NS(=O)(=O)Cc1cc(F)ccc1Cl)c1cccnc1 ZINC000921479737 664549979 /nfs/dbraw/zinc/54/99/79/664549979.db2.gz QOMONIAMGXUPFF-KRWDZBQOSA-N 1 0 385.892 2.987 20 0 GFADRO C[NH+](C)CC[C@H](NS(=O)(=O)CC[C@H]1CC1(Cl)Cl)c1cccnc1 ZINC000921479497 664550034 /nfs/dbraw/zinc/55/00/34/664550034.db2.gz KZMQBTDGPPSCMU-KBPBESRZSA-N 1 0 380.341 2.578 20 0 GFADRO CCn1c(C[NH2+][C@@H](CO)CC(C)C)nc(Br)c1Br ZINC000921587538 664556315 /nfs/dbraw/zinc/55/63/15/664556315.db2.gz RDGHHLCAGLSPPG-SECBINFHSA-N 1 0 383.128 2.925 20 0 GFADRO Cc1ccc(C(=O)N2CCC([NH2+]Cc3nc(Br)c[nH]3)CC2)cc1 ZINC000921665991 664559965 /nfs/dbraw/zinc/55/99/65/664559965.db2.gz MGRDGIBODZPEHO-UHFFFAOYSA-N 1 0 377.286 2.875 20 0 GFADRO Cn1nc2c(c1C[NH2+][C@H]1CCN(c3ccccc3Br)C1)COCC2 ZINC000921730383 664564953 /nfs/dbraw/zinc/56/49/53/664564953.db2.gz ZREOTWBDKZDHDW-ZDUSSCGKSA-N 1 0 391.313 2.624 20 0 GFADRO Brc1ccccc1N1CC[C@@H]([NH2+]Cc2cnc3n2CCOC3)C1 ZINC000921730363 664565001 /nfs/dbraw/zinc/56/50/01/664565001.db2.gz ZGXVHNVQGXYSRN-CYBMUJFWSA-N 1 0 377.286 2.544 20 0 GFADRO COc1cc(OC)cc(N2CC[C@H]([NH2+]Cc3nc(Br)c[nH]3)C2)c1 ZINC000921813760 664570236 /nfs/dbraw/zinc/57/02/36/664570236.db2.gz ITTNQVBLNUTYEX-NSHDSACASA-N 1 0 381.274 2.558 20 0 GFADRO C[C@H](NC(=O)NCc1cnc(Br)cn1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000921877051 664574508 /nfs/dbraw/zinc/57/45/08/664574508.db2.gz BLQGDPLPHOXXRF-STQMWFEESA-N 1 0 396.333 2.691 20 0 GFADRO Cc1cc(C[NH2+]CC2(CO)CCOCC2)c(C)cc1I ZINC000921924108 664576817 /nfs/dbraw/zinc/57/68/17/664576817.db2.gz NDTLCJBRZRNMSQ-UHFFFAOYSA-N 1 0 389.277 2.787 20 0 GFADRO CCn1c(C[NH2+][C@](C)(CO)C(C)C)nc(Br)c1Br ZINC000922138297 664587235 /nfs/dbraw/zinc/58/72/35/664587235.db2.gz IVJVBUFODGAHOQ-GFCCVEGCSA-N 1 0 383.128 2.925 20 0 GFADRO Cc1cc(Br)ccc1C[NH2+][C@H]1CCC(=O)N(C)[C@@H]1c1ccnn1C ZINC000922404948 664599839 /nfs/dbraw/zinc/59/98/39/664599839.db2.gz QRYNTFZEWDESJP-YJBOKZPZSA-N 1 0 391.313 2.943 20 0 GFADRO Cn1nccc1[C@@H]1[C@@H]([NH2+]Cc2cc(Br)cs2)CCC(=O)N1C ZINC000922406884 664600123 /nfs/dbraw/zinc/60/01/23/664600123.db2.gz OFCBAMLYPZEDCL-WFASDCNBSA-N 1 0 383.315 2.696 20 0 GFADRO Cc1nc(C[NH2+]CC2CCC(S(C)(=O)=O)CC2)sc1Br ZINC000922417861 664600715 /nfs/dbraw/zinc/60/07/15/664600715.db2.gz JNDQPRFGEOTLPP-UHFFFAOYSA-N 1 0 381.361 2.907 20 0 GFADRO CCOc1cc(C[NH2+]CC[C@@H]2CC(=O)N(C)C2)cc(Br)c1OC ZINC000922486658 664603532 /nfs/dbraw/zinc/60/35/32/664603532.db2.gz XWMYTTWCSPWQFI-GFCCVEGCSA-N 1 0 385.302 2.814 20 0 GFADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+][C@@H]1CCO[C@H]1C1CC1 ZINC000922516888 664605345 /nfs/dbraw/zinc/60/53/45/664605345.db2.gz AUZXRGZEJUFBER-JGFGOQIWSA-N 1 0 397.313 2.620 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+][C@@H](c2ccccn2)C2CC2)cc1Br ZINC000922580305 664607486 /nfs/dbraw/zinc/60/74/86/664607486.db2.gz BKPLKOPBOYAWHO-MRXNPFEDSA-N 1 0 396.310 2.732 20 0 GFADRO CN(Cc1ncc(Br)cn1)C(=O)NCCCCC[NH+]1CCCC1 ZINC000922620818 664608643 /nfs/dbraw/zinc/60/86/43/664608643.db2.gz CYHDIWUEZJPAJN-UHFFFAOYSA-N 1 0 384.322 2.647 20 0 GFADRO NS(=O)(=O)c1cc(C[NH2+]CC[C@H]2CC[C@H](C(F)(F)F)O2)ccc1Cl ZINC000922676136 664610469 /nfs/dbraw/zinc/61/04/69/664610469.db2.gz HDURGRZCKVCECP-ZWNOBZJWSA-N 1 0 386.823 2.577 20 0 GFADRO FC(F)Oc1ccc(Br)c(C[NH2+]C[C@H]2C[C@@H]3COC[C@@H]3O2)c1 ZINC000922727143 664612236 /nfs/dbraw/zinc/61/22/36/664612236.db2.gz ZSQVYBOJGNVAHP-QKCSRTOESA-N 1 0 378.213 2.944 20 0 GFADRO Cc1nn(-c2ccccc2Br)cc1C[NH2+]CC[C@@H]1CNC(=O)C1 ZINC000922778980 664614324 /nfs/dbraw/zinc/61/43/24/664614324.db2.gz NLUVYHHIQWFZQR-ZDUSSCGKSA-N 1 0 377.286 2.559 20 0 GFADRO Cn1c(Cl)nc(Cl)c1C[NH2+]C[C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 ZINC000922787577 664614441 /nfs/dbraw/zinc/61/44/41/664614441.db2.gz FWRCMXQZJQHUKR-RTCCRHLQSA-N 1 0 375.300 2.929 20 0 GFADRO CS(=O)(=O)C[C@H](O)C[NH2+]Cc1cc(F)ccc1Oc1cccc(Cl)c1 ZINC000922826238 664615772 /nfs/dbraw/zinc/61/57/72/664615772.db2.gz WUVAKVMHZORSGC-OAHLLOKOSA-N 1 0 387.860 2.767 20 0 GFADRO O=C(CS[C@@H]1CCS(=O)(=O)C1)Nc1ccc(C[NH+]2CCCCC2)cc1 ZINC000922840645 664616074 /nfs/dbraw/zinc/61/60/74/664616074.db2.gz OZRXDGVSLNUWSR-QGZVFWFLSA-N 1 0 382.551 2.531 20 0 GFADRO Cn1nc(-c2ccccc2)c(C[NH2+]C2C[C@H]3CC[C@@H](C2)S3(=O)=O)c1Cl ZINC000922851348 664616456 /nfs/dbraw/zinc/61/64/56/664616456.db2.gz UDORBCVTDVQWDI-GOOCMWNKSA-N 1 0 379.913 2.938 20 0 GFADRO Brc1ccccc1CN1CCC([NH2+]CCO[C@@H]2CCOC2)CC1 ZINC000922942224 664619549 /nfs/dbraw/zinc/61/95/49/664619549.db2.gz ZQPHPPRGBCRHFG-QGZVFWFLSA-N 1 0 383.330 2.809 20 0 GFADRO Cn1nccc1[C@@H](O)C[NH2+]Cc1ccc(OC(F)(F)F)c(Br)c1 ZINC000922972565 664620184 /nfs/dbraw/zinc/62/01/84/664620184.db2.gz BHHINJHNKGXHMH-LBPRGKRZSA-N 1 0 394.191 2.904 20 0 GFADRO Cn1nccc1[C@H](O)C[NH2+]Cc1cc(Br)c(Br)s1 ZINC000922974619 664620287 /nfs/dbraw/zinc/62/02/87/664620287.db2.gz LFXNNISNUFWUBC-SNVBAGLBSA-N 1 0 395.120 2.830 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)N1CCC[C@@H]1c1ncc(Br)cn1 ZINC000923172594 664623475 /nfs/dbraw/zinc/62/34/75/664623475.db2.gz VCIQZSNLRRHGMW-UONOGXRCSA-N 1 0 396.333 2.958 20 0 GFADRO COc1cc(C(=O)N2[C@@H]3CC[C@H]2C[N@H+](C)CC3)cc(Br)c1OC ZINC000923270461 664627097 /nfs/dbraw/zinc/62/70/97/664627097.db2.gz UEXCRVKESDEVRJ-OLZOCXBDSA-N 1 0 383.286 2.775 20 0 GFADRO Fc1cc([C@H]2CN(C[C@H]3CC4(C[NH2+]C4)CO3)CCO2)c(Cl)cc1Cl ZINC000923311795 664627978 /nfs/dbraw/zinc/62/79/78/664627978.db2.gz XCCWKHDLMINXSP-BDJLRTHQSA-N 1 0 375.271 2.884 20 0 GFADRO CCC[N@@H+]1CC[C@H](NC(=O)N2CCC[C@H]2c2ncc(Br)cn2)C1 ZINC000923318049 664628103 /nfs/dbraw/zinc/62/81/03/664628103.db2.gz DAQTVPPXRMLOTR-KBPBESRZSA-N 1 0 382.306 2.570 20 0 GFADRO CCC[N@@H+]1CC[C@@H](NC(=O)N2CCC[C@H]2c2ncc(Br)cn2)C1 ZINC000923318052 664628113 /nfs/dbraw/zinc/62/81/13/664628113.db2.gz DAQTVPPXRMLOTR-KGLIPLIRSA-N 1 0 382.306 2.570 20 0 GFADRO NC[C@H]([NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1)C1CCCCC1 ZINC000923371658 664629141 /nfs/dbraw/zinc/62/91/41/664629141.db2.gz CXBKMMZEDOJSSY-WBVHZDCISA-N 1 0 389.309 2.825 20 0 GFADRO Cc1ccc(Cl)c(OC[C@@H](O)CN2CCC[C@@H](C[NH3+])[C@H]2C(F)(F)F)c1 ZINC000923400990 664629891 /nfs/dbraw/zinc/62/98/91/664629891.db2.gz PPTQHIIYDRTTCP-XEZPLFJOSA-N 1 0 380.838 2.990 20 0 GFADRO OCC[NH2+][C@H]1CCCN(Cc2csc(COc3ccc(Cl)cc3)n2)C1 ZINC000923407384 664630007 /nfs/dbraw/zinc/63/00/07/664630007.db2.gz YEUSTZGEMUEGPI-HNNXBMFYSA-N 1 0 381.929 2.922 20 0 GFADRO C[NH+](C)C[C@@H](NC(=O)NCCO[C@@H]1CCOC1)c1ccc(Cl)c(Cl)c1 ZINC000923449398 664630770 /nfs/dbraw/zinc/63/07/70/664630770.db2.gz NZDGGWLGTWODTE-CZUORRHYSA-N 1 0 390.311 2.701 20 0 GFADRO C[C@H]1CN(CC(=O)Nc2c(F)cc(F)cc2Br)CC[C@@H]1C[NH3+] ZINC000923500497 664631502 /nfs/dbraw/zinc/63/15/02/664631502.db2.gz PDRNLTKJIYQRPJ-VHSXEESVSA-N 1 0 376.245 2.583 20 0 GFADRO Cn1cc(CN2C[C@H](C[C@@H]3COCC[NH2+]3)c3ccccc32)c(Br)n1 ZINC000923541344 664633392 /nfs/dbraw/zinc/63/33/92/664633392.db2.gz RSYFZJQUOXWMBY-DZGCQCFKSA-N 1 0 391.313 2.665 20 0 GFADRO Cn1cc(CN2C[C@H](C[C@H]3COCC[NH2+]3)c3ccccc32)c(Br)n1 ZINC000923541347 664633425 /nfs/dbraw/zinc/63/34/25/664633425.db2.gz RSYFZJQUOXWMBY-ZFWWWQNUSA-N 1 0 391.313 2.665 20 0 GFADRO CC(C)Oc1ccc(F)cc1S(=O)(=O)N1CC[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000923678529 664635441 /nfs/dbraw/zinc/63/54/41/664635441.db2.gz YXCJUAYGVCGMGG-VXGBXAGGSA-N 1 0 384.395 2.513 20 0 GFADRO Cc1ccc(CNC(=O)NC[C@H]2CC[N@@H+]2C2CCOCC2)cc1Br ZINC000923966312 664641977 /nfs/dbraw/zinc/64/19/77/664641977.db2.gz XWJUDMXFWLDXPZ-MRXNPFEDSA-N 1 0 396.329 2.810 20 0 GFADRO COc1ccc(C[NH+](C)C)cc1NC(=O)NCc1cn(C)nc1Br ZINC000924556761 664657562 /nfs/dbraw/zinc/65/75/62/664657562.db2.gz YSCSBCYLAWZDMV-UHFFFAOYSA-N 1 0 396.289 2.575 20 0 GFADRO C[C@H](C[C@H]1CCC(=O)N1)[NH2+]Cc1nnc2c(Cl)cc(C(F)(F)F)cn12 ZINC000924623885 664659053 /nfs/dbraw/zinc/65/90/53/664659053.db2.gz OTQCJMQUOVXONA-PSASIEDQSA-N 1 0 375.782 2.548 20 0 GFADRO O[C@@H](C[NH2+][C@@H]1CCOC12CCOCC2)COc1cccc(Cl)c1Cl ZINC000924787692 664661784 /nfs/dbraw/zinc/66/17/84/664661784.db2.gz ZHSCWRPCGIPCPI-SWLSCSKDSA-N 1 0 376.280 2.661 20 0 GFADRO COc1cc(C[NH2+][C@@H](C)c2cccc(Br)n2)ccc1OCC(N)=O ZINC000924837286 664662631 /nfs/dbraw/zinc/66/26/31/664662631.db2.gz JFUAKELFFASTDX-NSHDSACASA-N 1 0 394.269 2.568 20 0 GFADRO C[C@@H]([NH2+]Cc1cccc(Br)c1)C1CCN(S(C)(=O)=O)CC1 ZINC000924853840 664662732 /nfs/dbraw/zinc/66/27/32/664662732.db2.gz BRZTUAXQENJMCM-GFCCVEGCSA-N 1 0 375.332 2.599 20 0 GFADRO Brc1ccc(N2CC[C@@H]([NH2+][C@H]3CCOC34CCOCC4)C2)cc1 ZINC000924938743 664664196 /nfs/dbraw/zinc/66/41/96/664664196.db2.gz MTRBBUJEQJWGES-WBVHZDCISA-N 1 0 381.314 2.956 20 0 GFADRO CC(C)NS(=O)(=O)Cc1ccccc1C[NH2+][C@H](C)C1(Br)CC1 ZINC000924962511 664664507 /nfs/dbraw/zinc/66/45/07/664664507.db2.gz YOAAPNAJKBOJDQ-CYBMUJFWSA-N 1 0 389.359 2.920 20 0 GFADRO COc1ccc(Br)c(C(=O)NCCC[NH2+][C@@H]2CO[C@@H](C)[C@H]2C)c1 ZINC000925015676 664665133 /nfs/dbraw/zinc/66/51/33/664665133.db2.gz LLSALMYEQWHQEX-BFQNTYOBSA-N 1 0 385.302 2.591 20 0 GFADRO CC[C@@H]1COC[C@H]1[NH2+]CCCNC(=O)c1cc(OC)ccc1Br ZINC000925018123 664665264 /nfs/dbraw/zinc/66/52/64/664665264.db2.gz XCLZHVXAAHQIDE-MLGOLLRUSA-N 1 0 385.302 2.592 20 0 GFADRO O=S(=O)(N1CCC(C[NH2+][C@H]2CCOC23CCCCC3)CC1)C(F)(F)F ZINC000925040812 664665818 /nfs/dbraw/zinc/66/58/18/664665818.db2.gz PXWUQLAZFCESRF-AWEZNQCLSA-N 1 0 384.464 2.629 20 0 GFADRO O=S1(=O)CCC(O)(C[NH2+][C@@H](Cc2ccccc2Cl)c2ccco2)CC1 ZINC000925123944 664667077 /nfs/dbraw/zinc/66/70/77/664667077.db2.gz DYKGSVZEKSRHCY-INIZCTEOSA-N 1 0 383.897 2.746 20 0 GFADRO O=S1(=O)CCC(O)(C[NH2+]C(CCC(F)(F)F)CCC(F)(F)F)CC1 ZINC000925127578 664667093 /nfs/dbraw/zinc/66/70/93/664667093.db2.gz WCWWKWIGOKPXGO-UHFFFAOYSA-N 1 0 385.370 2.569 20 0 GFADRO CN(Cc1ccc(Br)o1)C(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000925144817 664667267 /nfs/dbraw/zinc/66/72/67/664667267.db2.gz QRZYPYRXWLVUHY-CHWSQXEVSA-N 1 0 388.331 2.763 20 0 GFADRO O=C(N[C@@H]1CCC[N@@H+]2CCSC[C@H]12)N1CCC[C@H](Cc2nccs2)C1 ZINC000925173785 664667973 /nfs/dbraw/zinc/66/79/73/664667973.db2.gz ZDKZUGGOMKZCLL-BZUAXINKSA-N 1 0 380.583 2.687 20 0 GFADRO CC[N@@H+]1CCC[C@H](N2C(=O)[C@@H]3Cc4c(Br)cccc4CN3C2=O)C1 ZINC000925301228 664670157 /nfs/dbraw/zinc/67/01/57/664670157.db2.gz ZYIYPHGICFPIAG-BBRMVZONSA-N 1 0 392.297 2.622 20 0 GFADRO CO[C@@]1(CNC(=O)N(C)C2CC[NH+](CCC(F)(F)F)CC2)CCSC1 ZINC000925374099 664671371 /nfs/dbraw/zinc/67/13/71/664671371.db2.gz LBFRIDNLOGRUEU-OAHLLOKOSA-N 1 0 383.480 2.567 20 0 GFADRO O=C(NCC[NH2+][C@@H](C1CC1)C1CCOCC1)c1cccc(Br)c1 ZINC000925399061 664671945 /nfs/dbraw/zinc/67/19/45/664671945.db2.gz CWOBUJDQGIBDTP-KRWDZBQOSA-N 1 0 381.314 2.974 20 0 GFADRO O=C1[C@@H]([NH2+][C@H]2CCCc3ncc(Br)cc32)CCN1C1CCOCC1 ZINC000925489459 664672701 /nfs/dbraw/zinc/67/27/01/664672701.db2.gz ZAGSZSXXYOVWFQ-IRXDYDNUSA-N 1 0 394.313 2.591 20 0 GFADRO COC1(OC)CC[C@@H]1[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000925566568 664673122 /nfs/dbraw/zinc/67/31/22/664673122.db2.gz JEKLIXSGVGVHCJ-INIZCTEOSA-N 1 0 385.302 2.527 20 0 GFADRO C[C@H]([NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1)c1ncc(C(F)(F)F)cc1Cl ZINC000925623416 664673763 /nfs/dbraw/zinc/67/37/63/664673763.db2.gz QNLCCJSXCZYALN-UWVGGRQHSA-N 1 0 385.839 2.686 20 0 GFADRO [NH3+]C1C[C@H]2CC[C@@H](C1)C2Nc1cnc(N2CCOCC2)c(Br)c1 ZINC000925655638 664673880 /nfs/dbraw/zinc/67/38/80/664673880.db2.gz SURCQXSRRFINNC-ZAQWFSBCSA-N 1 0 381.318 2.609 20 0 GFADRO O=S1(=O)CC[C@@H](NC[C@]23CCC[C@H]2[NH2+]CC3)c2cc(Br)ccc21 ZINC000925844963 664675737 /nfs/dbraw/zinc/67/57/37/664675737.db2.gz JJENDAYHPDHJIY-DJIMGWMZSA-N 1 0 399.354 2.789 20 0 GFADRO CC(C)S(=O)(=O)N1CC[C@H]([NH2+][C@H]2COCc3cccc(Cl)c32)[C@H](C)C1 ZINC000925884823 664676648 /nfs/dbraw/zinc/67/66/48/664676648.db2.gz MTSTZIHPDKJLHA-COXVUDFISA-N 1 0 386.945 2.950 20 0 GFADRO C[NH+](C)CC[C@@H](NC(=O)N1CCS[C@@H](C(F)(F)F)C1)c1cccnc1 ZINC000925921503 664677417 /nfs/dbraw/zinc/67/74/17/664677417.db2.gz SYEVKTXJNZIIJH-ZIAGYGMSSA-N 1 0 376.448 2.764 20 0 GFADRO Cc1ccc(NC(=O)NC[C@H]2CC3(CC[NH2+]CC3)C(=O)O2)cc1Br ZINC000925932387 664677713 /nfs/dbraw/zinc/67/77/13/664677713.db2.gz KKBIWJCZKHUICL-CYBMUJFWSA-N 1 0 396.285 2.564 20 0 GFADRO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(C(=O)Nc1cc(Br)ccc1C)C2 ZINC000925952842 664678074 /nfs/dbraw/zinc/67/80/74/664678074.db2.gz KOSXRMWZJUELMC-PPHDSNJXSA-N 1 0 396.285 2.502 20 0 GFADRO O=C(NCCCCCN1CC[NH2+]CC1)Nc1ccc(F)cc1Br ZINC000925953843 664678084 /nfs/dbraw/zinc/67/80/84/664678084.db2.gz RUCYUNOMZCGGFR-UHFFFAOYSA-N 1 0 387.297 2.785 20 0 GFADRO CCOC(=O)c1c(C)csc1NC(=O)N1CC[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000926075623 664680860 /nfs/dbraw/zinc/68/08/60/664680860.db2.gz XAZORXSGXKXAGX-NXEZZACHSA-N 1 0 379.404 2.977 20 0 GFADRO [NH3+]CC[C@@H]1CCN(C(=O)Nc2ccnn2Cc2cccc(Br)c2)C1 ZINC000926099121 664681756 /nfs/dbraw/zinc/68/17/56/664681756.db2.gz PZKNXWGDDPKWQH-CYBMUJFWSA-N 1 0 392.301 2.897 20 0 GFADRO COC(=O)c1c(C)c(NC(=O)N2C[C@@H](C)[C@H](CC[NH3+])C2)ccc1Br ZINC000926104186 664681804 /nfs/dbraw/zinc/68/18/04/664681804.db2.gz FVGAQRRUVKCWDL-ZYHUDNBSSA-N 1 0 398.301 2.993 20 0 GFADRO C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)Nc1ccc2nccnc2c1Br ZINC000926117677 664682225 /nfs/dbraw/zinc/68/22/25/664682225.db2.gz TYQHYVVZBCOEQY-GHMZBOCLSA-N 1 0 378.274 2.759 20 0 GFADRO Cc1cc(Br)nc(NC(=O)N2CC[C@H](C(F)(F)F)[C@@H]([NH3+])C2)c1 ZINC000926137262 664682647 /nfs/dbraw/zinc/68/26/47/664682647.db2.gz SAMMIMLASISQEN-IUCAKERBSA-N 1 0 381.196 2.896 20 0 GFADRO CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)c1nc(Cl)sc1Cl)C2 ZINC000926146330 664682946 /nfs/dbraw/zinc/68/29/46/664682946.db2.gz FXQOKJKQCCTBGP-QFKQNQDGSA-N 1 0 378.325 2.659 20 0 GFADRO Cc1ccc(Br)c(C(=O)N[C@@H]2C[C@@]3(C[N@@H+](C)[C@H]3C(C)C)C[C@H]2O)c1 ZINC000926171815 664683797 /nfs/dbraw/zinc/68/37/97/664683797.db2.gz WYLNZWRNQJFZHQ-VXNCWWDNSA-N 1 0 395.341 2.967 20 0 GFADRO [NH3+]CC[C@@H](NC(=O)N1CCC[C@@H](c2nc3c(s2)CCC3)C1)C(F)(F)F ZINC000926171415 664683814 /nfs/dbraw/zinc/68/38/14/664683814.db2.gz VKIBGPPCLPDMAH-ZWNOBZJWSA-N 1 0 376.448 2.801 20 0 GFADRO CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NC(=O)c1ccc(Br)cc1F)C2 ZINC000926189353 664684445 /nfs/dbraw/zinc/68/44/45/664684445.db2.gz YVBXAEOXJTZNKN-YFHUEUNASA-N 1 0 399.304 2.798 20 0 GFADRO CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NC(=O)c3c(Cl)cncc3Cl)C2)[C@H]1C(C)C ZINC000926241056 664685101 /nfs/dbraw/zinc/68/51/01/664685101.db2.gz LODKPGSOOKVYGR-GZOSKZMVSA-N 1 0 386.323 2.988 20 0 GFADRO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NC(=O)c3ccoc3Br)C2)[C@H]1C(C)C ZINC000926243025 664685112 /nfs/dbraw/zinc/68/51/12/664685112.db2.gz YWRWXUJXWWLPIR-WBOJAVRRSA-N 1 0 385.302 2.642 20 0 GFADRO C[C@H](NC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)c1cc(Cl)cc(Cl)c1F ZINC000926248534 664685420 /nfs/dbraw/zinc/68/54/20/664685420.db2.gz AKNYGKFAGPUXPA-ZMLRMANQSA-N 1 0 376.259 2.654 20 0 GFADRO CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NC(=O)c3coc(Br)c3)C2)[C@@H]1C(C)C ZINC000926258004 664685823 /nfs/dbraw/zinc/68/58/23/664685823.db2.gz CXTAHKHIXRTDES-LNCBFAARSA-N 1 0 385.302 2.642 20 0 GFADRO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NC(=O)c3ccnc(Cl)c3Cl)C2)[C@H]1C(C)C ZINC000926264052 664685960 /nfs/dbraw/zinc/68/59/60/664685960.db2.gz BCDDXXKFGHEICE-GGKPKWOWSA-N 1 0 386.323 2.988 20 0 GFADRO CCn1nc(C)c([C@H](C)[NH2+]C[C@H](CO)Cc2ccc(Br)cc2)n1 ZINC000926283169 664686235 /nfs/dbraw/zinc/68/62/35/664686235.db2.gz GJHDFZNYYJERAS-SWLSCSKDSA-N 1 0 381.318 2.871 20 0 GFADRO C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000926308173 664687484 /nfs/dbraw/zinc/68/74/84/664687484.db2.gz MZWNLRZTVDBJGM-MQIPJXDCSA-N 1 0 384.307 2.723 20 0 GFADRO C[C@@H]([NH2+][C@@H](C)c1nc(C(F)(F)F)cs1)C1CCN(S(C)(=O)=O)CC1 ZINC000926310985 664687643 /nfs/dbraw/zinc/68/76/43/664687643.db2.gz RNLMODUYZMGTKJ-ZJUUUORDSA-N 1 0 385.477 2.873 20 0 GFADRO O=S(=O)(NCCC[NH2+][C@@H](C1CCC1)[C@@H]1CCOC1)c1ccccc1Cl ZINC000926353331 664688383 /nfs/dbraw/zinc/68/83/83/664688383.db2.gz KOEXKXGUTNSWST-QAPCUYQASA-N 1 0 386.945 2.803 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCCN(S(=O)(=O)N(C)C)C1)c1csc(C(F)(F)F)c1 ZINC000926421501 664689727 /nfs/dbraw/zinc/68/97/27/664689727.db2.gz RVABDFATYAVDQB-CMPLNLGQSA-N 1 0 385.477 2.688 20 0 GFADRO Cc1ccc(C[C@@H](CO)C[NH2+][C@H](C)c2cc(CO)on2)cc1Br ZINC000926537195 664691754 /nfs/dbraw/zinc/69/17/54/664691754.db2.gz FRPIODWKOOMCKJ-TZMCWYRMSA-N 1 0 383.286 2.740 20 0 GFADRO Cc1c(Br)cccc1C[C@H](CO)C[NH2+][C@H]1C[C@@H](C)n2ncnc21 ZINC000926544817 664692343 /nfs/dbraw/zinc/69/23/43/664692343.db2.gz QYJYVKAUJISRQM-FFSVYQOJSA-N 1 0 379.302 2.796 20 0 GFADRO CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]CC[C@@H](N(C)C)C(F)(F)F)cc1 ZINC000926963617 664699443 /nfs/dbraw/zinc/69/94/43/664699443.db2.gz OBXFJNRIXYGHGC-IUODEOHRSA-N 1 0 381.464 2.981 20 0 GFADRO C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]CC(C)(C)CS(C)(=O)=O ZINC000926953862 664699534 /nfs/dbraw/zinc/69/95/34/664699534.db2.gz OKQWQOAHVYFVQL-CQSZACIVSA-N 1 0 388.961 2.737 20 0 GFADRO C[C@H]1CN(C(=O)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)CC[C@@H]1C[NH3+] ZINC000927890545 664717397 /nfs/dbraw/zinc/71/73/97/664717397.db2.gz AADMHYJNLOOFIY-VHSXEESVSA-N 1 0 377.794 2.741 20 0 GFADRO Cc1cc(Cl)cc(NC(=O)C(=O)N2CC[C@@H](CC[NH3+])C2)c1Br ZINC000927888997 664717410 /nfs/dbraw/zinc/71/74/10/664717410.db2.gz KAFNIISTYZGZIY-SNVBAGLBSA-N 1 0 388.693 2.547 20 0 GFADRO C[C@@H]1CN(C(=O)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)CC[C@H]1C[NH3+] ZINC000927894261 664717492 /nfs/dbraw/zinc/71/74/92/664717492.db2.gz SUVOYSXSKBCFGJ-ZJUUUORDSA-N 1 0 377.794 2.741 20 0 GFADRO O=C(Cc1sccc1Br)N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000928079627 664721926 /nfs/dbraw/zinc/72/19/26/664721926.db2.gz JIPIXCVOKSUUOA-NWDGAFQWSA-N 1 0 375.357 2.749 20 0 GFADRO O=C(Cc1cscc1Br)N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000928084341 664722304 /nfs/dbraw/zinc/72/23/04/664722304.db2.gz WSRHFVKHUALSLB-QWHCGFSZSA-N 1 0 375.357 2.749 20 0 GFADRO O=C(Cc1cc(C(F)(F)F)cc(Cl)n1)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000928088716 664722578 /nfs/dbraw/zinc/72/25/78/664722578.db2.gz IOUUCPROXWODQI-CHWSQXEVSA-N 1 0 393.862 2.992 20 0 GFADRO Cc1cc(C(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@H]23)c(C)n1CC(F)(F)F ZINC000928096123 664722708 /nfs/dbraw/zinc/72/27/08/664722708.db2.gz MDCJXMILPHYKQB-HUUCEWRRSA-N 1 0 375.460 2.977 20 0 GFADRO C[N@@H+]1CC[C@H]1CNC(=O)Cc1csc(-c2cccc(Br)c2)n1 ZINC000928569865 664735224 /nfs/dbraw/zinc/73/52/24/664735224.db2.gz YXXZNDKQDIVOFS-AWEZNQCLSA-N 1 0 380.311 2.935 20 0 GFADRO C[NH+](C)CC[C@H](NC(=O)c1[nH]nc(C2CC2)c1Br)c1cccnc1 ZINC000928836972 664740641 /nfs/dbraw/zinc/74/06/41/664740641.db2.gz QQKVTPAVCLDEKY-ZDUSSCGKSA-N 1 0 392.301 2.867 20 0 GFADRO CN(C(=O)[C@@H]1CC[N@H+](C)C[C@@H]1c1cnn(C)c1)c1ccc(Br)cc1 ZINC000928918698 664741669 /nfs/dbraw/zinc/74/16/69/664741669.db2.gz UYNAVRQTGNEUBO-IAGOWNOFSA-N 1 0 391.313 2.881 20 0 GFADRO O=C1N[C@H](c2ccc(Cl)c(F)c2)C(=O)N1[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000929012499 664745302 /nfs/dbraw/zinc/74/53/02/664745302.db2.gz NMIKXWMSLSLQBU-QLFBSQMISA-N 1 0 383.876 2.652 20 0 GFADRO O=C(Nc1ccc(Br)cc1F)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000929173464 664747817 /nfs/dbraw/zinc/74/78/17/664747817.db2.gz QOZDDOQKYJQUJA-GJZGRUSLSA-N 1 0 386.265 2.651 20 0 GFADRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)C1 ZINC000929305821 664749803 /nfs/dbraw/zinc/74/98/03/664749803.db2.gz RYOXSYNMXLSNNP-ZDUSSCGKSA-N 1 0 375.441 2.629 20 0 GFADRO COCCOCCOCCN1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000929345329 664750773 /nfs/dbraw/zinc/75/07/73/664750773.db2.gz PZILPNLHFKJWRR-QGZVFWFLSA-N 1 0 388.302 2.502 20 0 GFADRO CS(=O)(=O)N(CC(F)(F)F)C1CC[NH+](CCc2cccc(F)c2)CC1 ZINC000929632312 664755292 /nfs/dbraw/zinc/75/52/92/664755292.db2.gz MZJCWFIVUOQKQL-UHFFFAOYSA-N 1 0 382.423 2.657 20 0 GFADRO Cc1ccc(S(=O)(=O)NC[C@H]2CCC[N@H+](CCc3ccns3)C2)cc1 ZINC000929951065 664760208 /nfs/dbraw/zinc/76/02/08/664760208.db2.gz OCNUQNDFMYJUHF-MRXNPFEDSA-N 1 0 379.551 2.685 20 0 GFADRO CNS(=O)(=O)c1cccc([C@H](C)[NH2+]Cc2cnc(Br)c(C)c2)c1 ZINC000930214119 664764725 /nfs/dbraw/zinc/76/47/25/664764725.db2.gz RIFRJLAVJLACLI-LBPRGKRZSA-N 1 0 398.326 2.911 20 0 GFADRO Cc1cc(C(=O)NC[C@@H]2CC[N@@H+](C)C2)nn1-c1ccccc1Br ZINC000930362209 664768124 /nfs/dbraw/zinc/76/81/24/664768124.db2.gz FPIUWCHIPYMSGR-ZDUSSCGKSA-N 1 0 377.286 2.625 20 0 GFADRO Cc1nnc(CC[N@H+](CCn2ccnc2)Cc2ccc(Br)o2)o1 ZINC000930447505 664770600 /nfs/dbraw/zinc/77/06/00/664770600.db2.gz ZMIZWCZAXAMXQS-UHFFFAOYSA-N 1 0 380.246 2.675 20 0 GFADRO O=C(NC[C@@H]1CCC[N@@H+](C[C@H]2CCC[C@@H](C(F)(F)F)O2)C1)C(F)(F)F ZINC000930521037 664772178 /nfs/dbraw/zinc/77/21/78/664772178.db2.gz RWKRKYPPQGVKAF-TUAOUCFPSA-N 1 0 376.341 2.877 20 0 GFADRO CC[NH+]1CCC(CNC(=O)C[C@H]2C(=O)Nc3c2cccc3Br)CC1 ZINC000930587671 664773780 /nfs/dbraw/zinc/77/37/80/664773780.db2.gz KEQWLHUDPCZSRA-CQSZACIVSA-N 1 0 394.313 2.723 20 0 GFADRO COC(=O)c1cncc(C[N@H+](C)C[C@@H](O)c2cccc(Br)c2)c1 ZINC000930716556 664777055 /nfs/dbraw/zinc/77/70/55/664777055.db2.gz OLCRAHRUBQDBGS-MRXNPFEDSA-N 1 0 379.254 2.796 20 0 GFADRO C[NH+](C)C1(CNC(=O)Nc2ccc(S(C)(=O)=O)c(C(F)F)c2)CCC1 ZINC000930725818 664777142 /nfs/dbraw/zinc/77/71/42/664777142.db2.gz IADKCCIWOBMOHM-UHFFFAOYSA-N 1 0 375.441 2.634 20 0 GFADRO COCCOc1ccc(Br)cc1NC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000930752943 664777580 /nfs/dbraw/zinc/77/75/80/664777580.db2.gz XWBOBYHXYHOYSA-DGCLKSJQSA-N 1 0 386.290 2.688 20 0 GFADRO O=C(Nc1csc(-c2ccccn2)n1)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000930754571 664777690 /nfs/dbraw/zinc/77/76/90/664777690.db2.gz CBAZHUYADMUIFU-JSGCOSHPSA-N 1 0 375.523 2.906 20 0 GFADRO C[C@@H]1[C@@H]([NH+](C)C)CCN1CC(=O)Nc1c(F)cc(F)cc1Br ZINC000931047406 664783858 /nfs/dbraw/zinc/78/38/58/664783858.db2.gz YGFZPWWWDYSBRG-RNCFNFMXSA-N 1 0 376.245 2.690 20 0 GFADRO CC[N@H+](CC1CN(S(C)(=O)=O)C1)[C@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000931066721 664784403 /nfs/dbraw/zinc/78/44/03/664784403.db2.gz LPJZGRBFYSJQFA-CYBMUJFWSA-N 1 0 378.460 2.850 20 0 GFADRO CC[NH+](CC)CC1CCN(C(=O)C2(n3cc(Br)cn3)CC2)CC1 ZINC000931109409 664786043 /nfs/dbraw/zinc/78/60/43/664786043.db2.gz MSYKFVPNEBJWDA-UHFFFAOYSA-N 1 0 383.334 2.715 20 0 GFADRO OC[C@@]1([NH2+]Cc2noc3c2COCC3)CCc2cc(Br)ccc2C1 ZINC000931175160 664787528 /nfs/dbraw/zinc/78/75/28/664787528.db2.gz DZJPUJOZPFSCEB-GOSISDBHSA-N 1 0 393.281 2.519 20 0 GFADRO O=C(C/C=C\c1ccc(Br)cc1)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000931188731 664787827 /nfs/dbraw/zinc/78/78/27/664787827.db2.gz IZTBQLVSQIDCES-YWOMLXPBSA-N 1 0 379.298 2.832 20 0 GFADRO C[C@H]1C[C@H](c2ccc(Br)cc2)C[N@@H+]1CC1CN(S(C)(=O)=O)C1 ZINC000931265161 664789849 /nfs/dbraw/zinc/78/98/49/664789849.db2.gz FPHLQANGGJWPSA-WFASDCNBSA-N 1 0 387.343 2.518 20 0 GFADRO C[NH+]1C[C@@]2(C)CN(CC(=O)Nc3ccc(Br)cc3F)C[C@]2(C)C1 ZINC000931306962 664791085 /nfs/dbraw/zinc/79/10/85/664791085.db2.gz DECSIUSAZDSVOT-IRXDYDNUSA-N 1 0 384.293 2.800 20 0 GFADRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)Nc1ccc2nccnc2c1Br ZINC000931390657 664793535 /nfs/dbraw/zinc/79/35/35/664793535.db2.gz WRSDQYJGMQKPBI-YGRLFVJLSA-N 1 0 390.285 2.997 20 0 GFADRO CN(C(=O)Nc1ccc2nccnc2c1Br)[C@@H]1CCC[N@H+](C)C1 ZINC000931390339 664793565 /nfs/dbraw/zinc/79/35/65/664793565.db2.gz TVFAEYZZIRWSGE-LLVKDONJSA-N 1 0 378.274 2.950 20 0 GFADRO Cc1cc(NC(=O)N2CCN(C)CC[N@@H+](C)CC2)c(F)cc1Br ZINC000931432915 664794792 /nfs/dbraw/zinc/79/47/92/664794792.db2.gz JXASNOFISXIULG-UHFFFAOYSA-N 1 0 387.297 2.608 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(Cc3nc(Cc4cccc(Br)c4)no3)C[C@@H]2C1 ZINC000931440356 664795105 /nfs/dbraw/zinc/79/51/05/664795105.db2.gz WRRYORVAGZOMHV-CABCVRRESA-N 1 0 391.313 2.806 20 0 GFADRO Cc1cnc(Br)c(NC(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@@H]23)c1 ZINC000931507888 664796799 /nfs/dbraw/zinc/79/67/99/664796799.db2.gz ALPVHXUEEMPVRE-YPMHNXCESA-N 1 0 385.331 2.854 20 0 GFADRO OC[C@@H]([NH2+]C[C@H](O)CC[C@@H](O)c1ccccc1)c1ccc(Br)cc1 ZINC000931690000 664802844 /nfs/dbraw/zinc/80/28/44/664802844.db2.gz KZWNBTBGRKFAEC-GUDVDZBRSA-N 1 0 394.309 2.947 20 0 GFADRO C[NH+](C)[C@H]1CCCN(C(=O)c2cnn(Cc3ccccc3)c2Br)C1 ZINC000931692570 664802934 /nfs/dbraw/zinc/80/29/34/664802934.db2.gz MGQBGMWRJJWULI-HNNXBMFYSA-N 1 0 391.313 2.860 20 0 GFADRO O=C(c1cc(Br)cn2ncnc12)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000931769548 664804683 /nfs/dbraw/zinc/80/46/83/664804683.db2.gz XYRJYABYMLAAPV-AWEZNQCLSA-N 1 0 392.301 2.582 20 0 GFADRO Cc1c(F)c(Br)ccc1NC(=O)N1CCN(C)CC[N@@H+](C)CC1 ZINC000931898414 664807040 /nfs/dbraw/zinc/80/70/40/664807040.db2.gz ILQYBZQTZCBEAB-UHFFFAOYSA-N 1 0 387.297 2.608 20 0 GFADRO C[NH+](C)C[C@@H]1CCCCN1C(=O)c1cc(Br)c2nccnc2c1 ZINC000931906044 664807166 /nfs/dbraw/zinc/80/71/66/664807166.db2.gz NXIYLOJBXOQJBW-ZDUSSCGKSA-N 1 0 377.286 2.949 20 0 GFADRO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)Nc2ccc(I)cc2F)C1 ZINC000931913781 664807255 /nfs/dbraw/zinc/80/72/55/664807255.db2.gz HLAWWUMGOWBMGG-ZANVPECISA-N 1 0 389.212 2.598 20 0 GFADRO COC(=O)c1ccc(Br)c(CN2CC[C@H](c3noc(C)n3)C2)c1 ZINC000931936746 664807468 /nfs/dbraw/zinc/80/74/68/664807468.db2.gz QOQXQPNSWJSBJQ-LBPRGKRZSA-N 1 0 380.242 2.917 20 0 GFADRO CN(CC1CC[NH+](C)CC1)C(=O)c1cnnn1-c1cccc(Cl)c1Cl ZINC000931961050 664807979 /nfs/dbraw/zinc/80/79/79/664807979.db2.gz LOGQCASBHPFTIJ-UHFFFAOYSA-N 1 0 382.295 2.988 20 0 GFADRO C[C@H](CNC(=O)c1cnn(Cc2ccccc2)c1Br)[NH+]1CCCC1 ZINC000932028865 664809250 /nfs/dbraw/zinc/80/92/50/664809250.db2.gz IMWYHCDSFNTTKF-CQSZACIVSA-N 1 0 391.313 2.908 20 0 GFADRO CC(C)(C)n1nnc(CC[NH2+][C@@H]2CCOc3ccc(Br)cc32)n1 ZINC000932210271 664813681 /nfs/dbraw/zinc/81/36/81/664813681.db2.gz XSEWHAKVIVFGKS-CYBMUJFWSA-N 1 0 380.290 2.847 20 0 GFADRO C[NH+]1CCC(OCC(=O)Nc2cc(Br)ccc2-n2cccn2)CC1 ZINC000932383808 664820780 /nfs/dbraw/zinc/82/07/80/664820780.db2.gz XSGXPJJFLPVRAQ-UHFFFAOYSA-N 1 0 393.285 2.684 20 0 GFADRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2cc(=O)n(C)cc2Br)C1 ZINC000932511031 664823429 /nfs/dbraw/zinc/82/34/29/664823429.db2.gz WTLUUNZQZDQRJC-CYBMUJFWSA-N 1 0 398.345 2.778 20 0 GFADRO CN(C(=O)c1cc2ccc(Br)cc2c(=O)o1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000932547126 664825128 /nfs/dbraw/zinc/82/51/28/664825128.db2.gz CVEZHNQPXHTLQA-CQSZACIVSA-N 1 0 391.265 2.864 20 0 GFADRO C[N@@H+]1CCCN(CCCNC(=O)C/C=C\c2ccc(Br)cc2)CC1 ZINC000932724528 664833671 /nfs/dbraw/zinc/83/36/71/664833671.db2.gz FBMHFRDIOQXLSZ-DJWKRKHSSA-N 1 0 394.357 2.996 20 0 GFADRO Cc1ncc(NC(=O)Nc2ccn(CC[NH+](C)C)n2)c(C)c1Br ZINC000932777640 664837446 /nfs/dbraw/zinc/83/74/46/664837446.db2.gz IEIOKQSJTTVJEB-UHFFFAOYSA-N 1 0 381.278 2.863 20 0 GFADRO O=C1NC[C@@H](O)CC12CC[NH+](Cc1ccc(Cl)c(Br)c1)CC2 ZINC000932831017 664841257 /nfs/dbraw/zinc/84/12/57/664841257.db2.gz KSJYXISKHZPLSO-LBPRGKRZSA-N 1 0 387.705 2.566 20 0 GFADRO Cc1[nH]nc(Br)c1C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000932880328 664841830 /nfs/dbraw/zinc/84/18/30/664841830.db2.gz PDXFWEIWAARFGW-AWEZNQCLSA-N 1 0 377.286 2.875 20 0 GFADRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C[C@H]1C(=O)Nc2ccc(Br)cc21 ZINC000932907902 664842671 /nfs/dbraw/zinc/84/26/71/664842671.db2.gz LMXZZAJDAMYQPQ-SWLSCSKDSA-N 1 0 394.313 2.675 20 0 GFADRO CC[NH+]1CCC(NC(=O)CN2CCc3cc(F)c(Br)cc3C2)CC1 ZINC000933141023 664850793 /nfs/dbraw/zinc/85/07/93/664850793.db2.gz CBVNEEDRBBEHLF-UHFFFAOYSA-N 1 0 398.320 2.547 20 0 GFADRO O=S(=O)(CC[NH2+]C1([C@@H]2CCCCO2)CC1)c1cccc(Br)c1 ZINC000933378328 664860956 /nfs/dbraw/zinc/86/09/56/664860956.db2.gz NIVWQISSIGLXNS-HNNXBMFYSA-N 1 0 388.327 2.914 20 0 GFADRO O=C(CC[N@@H+]1CCOC[C@H]1C[C@@H]1CCOC1)Nc1cccc(Br)c1 ZINC000933675564 664872188 /nfs/dbraw/zinc/87/21/88/664872188.db2.gz PNAZMYJROIHCKP-WMLDXEAASA-N 1 0 397.313 2.905 20 0 GFADRO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)c2ccc3c(Br)cnn3c2)C1 ZINC000933945141 664882467 /nfs/dbraw/zinc/88/24/67/664882467.db2.gz RHCACQBMZKCLBX-AWEZNQCLSA-N 1 0 391.313 2.901 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C[C@@H]2C(=O)Nc3ccc(Br)cc32)C1 ZINC000934192836 664891899 /nfs/dbraw/zinc/89/18/99/664891899.db2.gz CGLMOIVSGZEYFV-GUTXKFCHSA-N 1 0 394.313 2.864 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C[C@H]2C(=O)Nc3c2cccc3Br)C1 ZINC000934195040 664892025 /nfs/dbraw/zinc/89/20/25/664892025.db2.gz VKPMCCYAFIAKCP-OUCADQQQSA-N 1 0 394.313 2.864 20 0 GFADRO Cc1c(Br)cncc1NC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000934254709 664894326 /nfs/dbraw/zinc/89/43/26/664894326.db2.gz YYJWEACITFSXAC-ZDUSSCGKSA-N 1 0 397.317 2.775 20 0 GFADRO Cc1c(Br)cncc1NC(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000934270717 664896674 /nfs/dbraw/zinc/89/66/74/664896674.db2.gz VNIKVTFTHKRMHM-CYBMUJFWSA-N 1 0 385.306 2.727 20 0 GFADRO CS(=O)(=O)c1ccc(OCCCN2CC[C@@H](Cc3nccs3)C2)cc1 ZINC000934332489 664899752 /nfs/dbraw/zinc/89/97/52/664899752.db2.gz FRZLKHXENHJJFN-HNNXBMFYSA-N 1 0 380.535 2.880 20 0 GFADRO C[NH+](C)[C@]1(CNC(=O)Nc2c(Br)cnn2C2CC2)CCSC1 ZINC000934372938 664902956 /nfs/dbraw/zinc/90/29/56/664902956.db2.gz ULPKFVWDIHSEJH-AWEZNQCLSA-N 1 0 388.335 2.539 20 0 GFADRO O[C@@H](C[NH2+][C@H]1CCOC12CCOCC2)COc1cc(Cl)cc(Cl)c1 ZINC000934403111 664905905 /nfs/dbraw/zinc/90/59/05/664905905.db2.gz ULJVZBZRMDBPCE-HOCLYGCPSA-N 1 0 376.280 2.661 20 0 GFADRO C[C@](CO)([NH2+]CC(=O)NCc1ccccc1)c1cccc(Br)c1 ZINC000934496986 664909179 /nfs/dbraw/zinc/90/91/79/664909179.db2.gz GCNSHKISZMURAD-GOSISDBHSA-N 1 0 377.282 2.563 20 0 GFADRO COc1ccc(NC(=O)C[NH2+][C@](C)(CO)c2cccc(Br)c2)cc1 ZINC000934497928 664909329 /nfs/dbraw/zinc/90/93/29/664909329.db2.gz STPCWWNBMDCRNC-GOSISDBHSA-N 1 0 393.281 2.894 20 0 GFADRO CCOP(=O)(OCC)[C@H](O)C[N@H+]1C[C@@H](C)N(CC(F)(F)F)[C@@H](C)C1 ZINC000934791497 664922370 /nfs/dbraw/zinc/92/23/70/664922370.db2.gz SUADUBPXYSIWFE-XQQFMLRXSA-N 1 0 376.356 2.528 20 0 GFADRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cc(Br)c3nccnc3c2)C1 ZINC000934949040 664931474 /nfs/dbraw/zinc/93/14/74/664931474.db2.gz BHKKNSYRHSLXIH-MLGOLLRUSA-N 1 0 389.297 2.949 20 0 GFADRO C[C@H]1C[N@H+](C)[C@@H](C)CN1C(=O)c1cc2ccc(Br)cc2c(=O)o1 ZINC000935188518 664945234 /nfs/dbraw/zinc/94/52/34/664945234.db2.gz AYBNWWXICAOZTG-QWRGUYRKSA-N 1 0 379.254 2.720 20 0 GFADRO CN(CCC[NH+](C)C)C(=O)c1cnn(Cc2ccccc2)c1Br ZINC000935241832 664948168 /nfs/dbraw/zinc/94/81/68/664948168.db2.gz BEDXHFJPTHCTLT-UHFFFAOYSA-N 1 0 379.302 2.718 20 0 GFADRO CS[C@@H]1CN(C(=O)Cc2c[nH]c3cnc(Cl)cc23)C[C@@H]1[NH+]1CCCC1 ZINC000935365793 664956627 /nfs/dbraw/zinc/95/66/27/664956627.db2.gz BFSZMYHDQJFOPO-JKSUJKDBSA-N 1 0 378.929 2.797 20 0 GFADRO Cc1ccc(Br)c2[nH]c(C(=O)N3CCC[C@@](O)(C[NH+](C)C)C3)cc21 ZINC000935679349 664980463 /nfs/dbraw/zinc/98/04/63/664980463.db2.gz IPZBOIZQTQDTIV-GOSISDBHSA-N 1 0 394.313 2.768 20 0 GFADRO O=C(C/C=C\c1ccc(Br)cc1)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000935984441 665002691 /nfs/dbraw/zinc/00/26/91/665002691.db2.gz MSJQZAUAEDCIPC-XFKNGNQWSA-N 1 0 379.298 2.520 20 0 GFADRO Cc1csc(C(=O)N2C[C@@H](C)[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)c1Cl ZINC000949330883 665010092 /nfs/dbraw/zinc/01/00/92/665010092.db2.gz KHZJMVHFTZEDMX-FMKGYKFTSA-N 1 0 383.945 2.627 20 0 GFADRO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(C(=O)c3sccc3Cl)C[C@H]2C)CC[N@@H+]1C ZINC000949797554 665010264 /nfs/dbraw/zinc/01/02/64/665010264.db2.gz RACQLHDFPJJAJT-AYRXBEOTSA-N 1 0 383.945 2.709 20 0 GFADRO C[C@@H]1[C@H](C(=O)NC[C@H]2CC[C@@H](NC(=O)c3cc(Cl)cs3)C2)CC[N@@H+]1C ZINC000981466556 665018212 /nfs/dbraw/zinc/01/82/12/665018212.db2.gz HIEQGTCWWNRMLM-AYRXBEOTSA-N 1 0 383.945 2.756 20 0 GFADRO C[N@@H+]1CCCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1csc(Cl)c1)C2 ZINC000996386562 665030638 /nfs/dbraw/zinc/03/06/38/665030638.db2.gz YJKVDSZFILKCSE-QPSCCSFWSA-N 1 0 381.929 2.748 20 0 GFADRO C[C@H]1CCC[N@@H+]1CC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(Cl)s1)C2 ZINC001000584490 665047144 /nfs/dbraw/zinc/04/71/44/665047144.db2.gz FSFLEAWBRVPIGG-CRWXNKLISA-N 1 0 381.929 2.748 20 0 GFADRO C[C@H]1CC[N@H+](CC(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cc(Cl)cs2)C3)C1 ZINC001002615929 665055928 /nfs/dbraw/zinc/05/59/28/665055928.db2.gz WUXGBTGHSKZZHE-MYPMTAMASA-N 1 0 381.929 2.605 20 0 GFADRO C[C@H]1CC[N@H+](CC(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2csc(Cl)c2)C3)C1 ZINC001002615765 665055979 /nfs/dbraw/zinc/05/59/79/665055979.db2.gz VCGOBQDAYXAMQV-MYPMTAMASA-N 1 0 381.929 2.605 20 0 GFADRO C[C@H]1CCC[N@@H+]1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccsc1Cl ZINC001006280614 665069642 /nfs/dbraw/zinc/06/96/42/665069642.db2.gz OZCJKCWIZGUOFK-MXYBEHONSA-N 1 0 381.929 2.748 20 0 GFADRO O=C(N[C@H]1CC[C@H]([NH2+]Cc2ncc(Cl)s2)CC1)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001034695805 665075593 /nfs/dbraw/zinc/07/55/93/665075593.db2.gz FMLFKMKJJQRDFB-YXPDSETLSA-N 1 0 381.929 2.737 20 0 GFADRO O=C(Cc1cc(Cl)ccc1Br)NCCCC[NH+]1CCOCC1 ZINC000120518093 677397015 /nfs/dbraw/zinc/39/70/15/677397015.db2.gz AXQAQJRGLPKEKY-UHFFFAOYSA-N 1 0 389.721 2.874 20 0 GFADRO CS(=O)(=O)c1ccc(C[NH2+]C[C@@H](O)c2cccc(Br)c2)cc1 ZINC000378915022 677405394 /nfs/dbraw/zinc/40/53/94/677405394.db2.gz YJMIMSGPHJLSMR-MRXNPFEDSA-N 1 0 384.295 2.676 20 0 GFADRO O=S(=O)(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cnc(Cl)c(F)c1 ZINC000381158288 677405904 /nfs/dbraw/zinc/40/59/04/677405904.db2.gz FJRPCFHCDMDVBG-AWEZNQCLSA-N 1 0 383.876 2.675 20 0 GFADRO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)C[NH2+][C@H]1C[C@@H](O)C12CCC2 ZINC000595784337 677674173 /nfs/dbraw/zinc/67/41/73/677674173.db2.gz UTRDCKNGSQEGQG-QWHCGFSZSA-N 1 0 387.263 2.612 20 0 GFADRO FC(F)(c1ccc(-c2ccc(Cl)nn2)cc1)N1CC[C@H]2[NH2+]CCO[C@H]2C1 ZINC001164389349 718825043 /nfs/dbraw/zinc/82/50/43/718825043.db2.gz HXARPSYVDAIVAY-CVEARBPZSA-N 1 0 380.826 2.909 20 0 GFADRO FC(F)(c1ccc2nc(Cl)c(Cl)nc2c1)N1CCOCC12C[NH2+]C2 ZINC001164402673 718860446 /nfs/dbraw/zinc/86/04/46/718860446.db2.gz KYDQLYJZTGWPSN-UHFFFAOYSA-N 1 0 375.206 2.660 20 0 GFADRO FC(F)(N1Cc2ncnn2C2(CC[NH2+]CC2)C1)C1(c2ccnc(Cl)c2)CC1 ZINC001164415825 718885772 /nfs/dbraw/zinc/88/57/72/718885772.db2.gz MXMREQNTSPZBRM-UHFFFAOYSA-N 1 0 394.857 2.545 20 0 GFADRO FC(F)(c1cnc(Cl)c(Cl)c1)N1CCCO[C@]2(C[NH2+]CCOC2)C1 ZINC001164420472 718912791 /nfs/dbraw/zinc/91/27/91/718912791.db2.gz JGNRABUUKWPISE-CQSZACIVSA-N 1 0 382.238 2.519 20 0 GFADRO CN(C)c1cc(Cl)nc(C(F)(F)N2C[C@H]3c4ccccc4C[NH2+][C@@H]3C2)n1 ZINC001164422725 718940958 /nfs/dbraw/zinc/94/09/58/718940958.db2.gz BPHHRHPSJBLXRZ-UONOGXRCSA-N 1 0 379.842 2.817 20 0 GFADRO FC(F)(c1nc2[nH]cnc2c(Cl)n1)N1C[C@H]2[NH2+]Cc3ccccc3[C@H]2C1 ZINC001164423579 718946105 /nfs/dbraw/zinc/94/61/05/718946105.db2.gz IHVKJMNBBSDMHQ-VXGBXAGGSA-N 1 0 376.798 2.578 20 0 GFADRO CCOC(=O)C1CC[NH+](C2CCN(c3nc(Cl)ccc3OC)CC2)CC1 ZINC001164618516 719027781 /nfs/dbraw/zinc/02/77/81/719027781.db2.gz XUQGFJLMVWYIFV-UHFFFAOYSA-N 1 0 381.904 2.988 20 0 GFADRO O=C1CSc2ncnc(N3CCC[C@@H]4C[N@H+](Cc5ccccc5)C[C@H]43)c2N1 ZINC001164626836 719111175 /nfs/dbraw/zinc/11/11/75/719111175.db2.gz IZEPBYGRDFDWGE-HZPDHXFCSA-N 1 0 381.505 2.622 20 0 GFADRO COC(=O)c1cnc(Cl)cc1C(F)(F)N1C[C@H](C2([NH3+])CC2)[C@H](CF)C1 ZINC001164624193 719121446 /nfs/dbraw/zinc/12/14/46/719121446.db2.gz UQHVTNMDXRHYBQ-SKDRFNHKSA-N 1 0 377.794 2.580 20 0 GFADRO COC(OC)c1ccc(NC(=O)C(C)(C)C)c(N2C[C@@H](C)[N@H+](C)C[C@@H]2C)n1 ZINC001164632288 719222990 /nfs/dbraw/zinc/22/29/90/719222990.db2.gz AWUDRQKYOSIEGF-KGLIPLIRSA-N 1 0 378.517 2.886 20 0 GFADRO C[N@@H+]1CCO[C@@H]2CN(c3cc(C(=O)Nc4ccc(Cl)nc4)ccc3F)C[C@H]21 ZINC001164668067 719394085 /nfs/dbraw/zinc/39/40/85/719394085.db2.gz PVMYOXIDMVQSJX-IAGOWNOFSA-N 1 0 390.846 2.646 20 0 GFADRO CCOC(=O)c1nc(-n2nc(CN(C)C(C)C)c3c2C[NH2+]CC3)ccc1Cl ZINC001164680151 719634183 /nfs/dbraw/zinc/63/41/83/719634183.db2.gz QERRHIFZIYDECF-UHFFFAOYSA-N 1 0 391.903 2.583 20 0 GFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1cc(Cl)ncn1)C2 ZINC001164810428 720066155 /nfs/dbraw/zinc/06/61/55/720066155.db2.gz LZDJQWNMSQSXCF-YOEHRIQHSA-N 1 0 386.874 2.860 20 0 GFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(Cl)nc3[nH]ccc31)C2 ZINC001164809747 720067914 /nfs/dbraw/zinc/06/79/14/720067914.db2.gz JVNFAAWWPVDIKI-KUHUBIRLSA-N 1 0 375.904 2.796 20 0 GFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1nccc(Cl)n1)C2 ZINC001164811687 720080723 /nfs/dbraw/zinc/08/07/23/720080723.db2.gz PGFBBKSMTHEECO-RHSMWYFYSA-N 1 0 386.874 2.860 20 0 GFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ccc3c(C(=O)OC)c[nH]c3n1)C2 ZINC001164812183 720096527 /nfs/dbraw/zinc/09/65/27/720096527.db2.gz PULKLWZVLYATHC-KSFYIVLOSA-N 1 0 398.507 2.534 20 0 GFADRO CCOc1nc(Cl)cc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COC)n1 ZINC001164809211 720098154 /nfs/dbraw/zinc/09/81/54/720098154.db2.gz IYIDDIHUTSEDFA-BEFAXECRSA-N 1 0 380.920 2.713 20 0 GFADRO Cn1nnc2c1CCN(c1ccc3ccccc3n1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164715286 720166859 /nfs/dbraw/zinc/16/68/59/720166859.db2.gz UIYWGLVIGAYMJJ-HXUWFJFHSA-N 1 0 392.507 2.580 20 0 GFADRO Cn1nnc2c1CCN(c1cc3ccsc3cn1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164719921 720188378 /nfs/dbraw/zinc/18/83/78/720188378.db2.gz YWUGPGAPWQBVMC-QGZVFWFLSA-N 1 0 398.536 2.641 20 0 GFADRO Cc1cc2c(ncnc2N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)s1 ZINC001164819088 720286262 /nfs/dbraw/zinc/28/62/62/720286262.db2.gz PKRYARAIOIBWKP-MSOLQXFVSA-N 1 0 399.564 2.911 20 0 GFADRO COc1cc(Cl)cnc1N1CC[C@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164821980 720299352 /nfs/dbraw/zinc/29/93/52/720299352.db2.gz MBTKGUJVVJNJQU-SJORKVTESA-N 1 0 392.931 2.655 20 0 GFADRO Cc1cccc2c1ncnc2N1CC[C@H]2[C@@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164823863 720305490 /nfs/dbraw/zinc/30/54/90/720305490.db2.gz QKPIATSLFKQGSJ-PMACEKPBSA-N 1 0 393.535 2.850 20 0 GFADRO Cc1cc(N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)ncc1Cl ZINC001164822071 720305836 /nfs/dbraw/zinc/30/58/36/720305836.db2.gz MMKZPFFHQLHHIN-QZTJIDSGSA-N 1 0 376.932 2.955 20 0 GFADRO Cc1nc(N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc(C)c1Cl ZINC001164823347 720325346 /nfs/dbraw/zinc/32/53/46/720325346.db2.gz ASIBROZSZFOYPW-IRXDYDNUSA-N 1 0 391.947 2.658 20 0 GFADRO Cc1cc(N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc2[nH]ccc21 ZINC001164825441 720327837 /nfs/dbraw/zinc/32/78/37/720327837.db2.gz FDEUKGQLISVOJV-MOPGFXCFSA-N 1 0 381.524 2.783 20 0 GFADRO Cc1cc(N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc2[nH]ccc21 ZINC001164825444 720328255 /nfs/dbraw/zinc/32/82/55/720328255.db2.gz FDEUKGQLISVOJV-RTBURBONSA-N 1 0 381.524 2.783 20 0 GFADRO CCOC(=O)/C=C/c1cccnc1N1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164728439 720338400 /nfs/dbraw/zinc/33/84/00/720338400.db2.gz VPVXLFOERRHEGP-CLJKYYQGSA-N 1 0 378.476 2.906 20 0 GFADRO CCCCc1cc(N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)ncn1 ZINC001164830521 720348457 /nfs/dbraw/zinc/34/84/57/720348457.db2.gz VUCSHHFSAHUAQT-WOJBJXKFSA-N 1 0 385.556 2.731 20 0 GFADRO C[C@@H]1CCc2nnc(N3CC[C@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)cc2C1 ZINC001164824401 720349479 /nfs/dbraw/zinc/34/94/79/720349479.db2.gz IFNVDDRDFOQGSZ-CZAAIQMYSA-N 1 0 397.567 2.513 20 0 GFADRO COC(=O)c1cccc2nc(N3CC[C@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)ncc21 ZINC001164726578 720362270 /nfs/dbraw/zinc/36/22/70/720362270.db2.gz PSTKSFAAPKIGNZ-VQTJNVASSA-N 1 0 389.459 2.665 20 0 GFADRO C[NH+](C)C[C@H]1Cn2ccnc2CN(C(F)(F)COc2ccnc(Cl)c2)C1 ZINC001164731182 720513711 /nfs/dbraw/zinc/51/37/11/720513711.db2.gz ULXAMKBSMSHXPV-ZDUSSCGKSA-N 1 0 385.846 2.597 20 0 GFADRO COc1ccc(C(F)(F)N2Cc3nccn3C[C@@H](C[NH+](C)C)C2)c(Cl)n1 ZINC001164730050 720514107 /nfs/dbraw/zinc/51/41/07/720514107.db2.gz QMHGOXQIFIKLRS-GFCCVEGCSA-N 1 0 385.846 2.683 20 0 GFADRO CC(C)[N@H+]1[C@@H]2CCN(c3ncnc4cccnc43)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164835796 720516716 /nfs/dbraw/zinc/51/67/16/720516716.db2.gz LKXICHBJECODRD-JENIJYKNSA-N 1 0 377.496 2.599 20 0 GFADRO CC(C)[N@H+]1[C@@H]2CCN(c3ncnc4c3ccn4C)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164832815 720518213 /nfs/dbraw/zinc/51/82/13/720518213.db2.gz BLMXYNJHEWLPCI-JENIJYKNSA-N 1 0 379.512 2.543 20 0 GFADRO C[NH+](C)C[C@H]1Cn2ccnc2CN(C(F)(F)c2nc3ccc(Cl)nc3[nH]2)C1 ZINC001164733329 720526461 /nfs/dbraw/zinc/52/64/61/720526461.db2.gz JAZJIHGNVBCLPY-NSHDSACASA-N 1 0 395.845 2.551 20 0 GFADRO FC(F)(c1ccc(Cl)nn1)N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001164733054 720553470 /nfs/dbraw/zinc/55/34/70/720553470.db2.gz IUAQQNCEGMTRNF-UHFFFAOYSA-N 1 0 382.846 2.530 20 0 GFADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3nnc4ccccc4n3)CC[C@@H]21 ZINC001164841542 720617050 /nfs/dbraw/zinc/61/70/50/720617050.db2.gz SQTZCOYYCWQRJD-ZWOKBUDYSA-N 1 0 377.496 2.599 20 0 GFADRO Cc1ccc2nc(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)c(Cl)nc2c1 ZINC001164737810 720684698 /nfs/dbraw/zinc/68/46/98/720684698.db2.gz GYYCXCUCURVHQV-LSDHHAIUSA-N 1 0 396.882 2.724 20 0 GFADRO Cc1cccc2c(Cl)nnc(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)c12 ZINC001164738120 720688978 /nfs/dbraw/zinc/68/89/78/720688978.db2.gz ILEULYJQFSMTGI-HUUCEWRRSA-N 1 0 396.882 2.724 20 0 GFADRO C[NH+]1CCN(c2cccc(N3CC[C@H]4[C@H]3CCC(=O)N4c3ccccc3)n2)CC1 ZINC001164844516 720765596 /nfs/dbraw/zinc/76/55/96/720765596.db2.gz CFPPHSFMOPVLFJ-UXHICEINSA-N 1 0 391.519 2.608 20 0 GFADRO c1ncn(C[C@@H]2C[C@H]3CN(c4nccc5scnc54)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164741241 720831903 /nfs/dbraw/zinc/83/19/03/720831903.db2.gz MQOVIHPSWPGLOO-YESZJQIVSA-N 1 0 395.536 2.662 20 0 GFADRO COCC[N@@H+]1CCO[C@H]2CN(c3ncnc4sc(C(C)C)cc43)CC[C@@H]2C1 ZINC001164848869 720832326 /nfs/dbraw/zinc/83/23/26/720832326.db2.gz NNZQOFKFJFWMDI-WBVHZDCISA-N 1 0 390.553 2.988 20 0 GFADRO c1ncn(C[C@H]2C[C@@H]3CN(c4nccc5cnccc54)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164745152 720837699 /nfs/dbraw/zinc/83/76/99/720837699.db2.gz LVVYOQARFYFXRD-SFHLNBCPSA-N 1 0 389.507 2.601 20 0 GFADRO COCC[N@@H+]1CCO[C@@H]2CN(c3nc(SC)nc4ccsc43)CC[C@@H]2C1 ZINC001164849680 720851649 /nfs/dbraw/zinc/85/16/49/720851649.db2.gz CMVHMESGEFQINH-UKRRQHHQSA-N 1 0 394.566 2.587 20 0 GFADRO Cc1cc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc(C2CC2)n1 ZINC001164744012 720851694 /nfs/dbraw/zinc/85/16/94/720851694.db2.gz BFOOYJRGMPKVDN-SLFFLAALSA-N 1 0 393.539 2.633 20 0 GFADRO c1cnc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc1 ZINC001164747217 720867225 /nfs/dbraw/zinc/86/72/25/720867225.db2.gz AOAFMFJDWVBFAD-RBBKRZOGSA-N 1 0 379.508 2.627 20 0 GFADRO Nc1ccc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc1 ZINC001164749918 720874793 /nfs/dbraw/zinc/87/47/93/720874793.db2.gz ICEYJUKQTVPLFQ-OFNKIYASSA-N 1 0 393.535 2.814 20 0 GFADRO Nc1ccc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc1 ZINC001164749924 720874843 /nfs/dbraw/zinc/87/48/43/720874843.db2.gz ICEYJUKQTVPLFQ-REWPJTCUSA-N 1 0 393.535 2.814 20 0 GFADRO CCc1ccc(-c2ccc(N3CC[C@@H]4C[N@H+](CCOC)CCO[C@@H]4C3)nn2)cc1 ZINC001164865298 720881094 /nfs/dbraw/zinc/88/10/94/720881094.db2.gz ZWTKCGIBEWODLW-IFMALSPDSA-N 1 0 396.535 2.880 20 0 GFADRO COCC[N@@H+]1CCO[C@@H]2CN(c3nc(C(C)C)nc(Cl)c3C)CC[C@@H]2C1 ZINC001164855732 720886958 /nfs/dbraw/zinc/88/69/58/720886958.db2.gz HRRVVXVPUDUGGP-HZPDHXFCSA-N 1 0 382.936 2.735 20 0 GFADRO CCCNC(=O)c1ccc(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@H]2C)nc1 ZINC001164861957 721005059 /nfs/dbraw/zinc/00/50/59/721005059.db2.gz RWPMGZBISGCNFD-MRXNPFEDSA-N 1 0 384.528 2.839 20 0 GFADRO COc1cccc2c1ncnc2N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164865859 721061963 /nfs/dbraw/zinc/06/19/63/721061963.db2.gz ARWXSTWUBSZSRO-MSOLQXFVSA-N 1 0 391.475 2.513 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(C(F)(F)c4cccnc4Cl)C[C@H]3C2)cn1 ZINC001164770985 721074599 /nfs/dbraw/zinc/07/45/99/721074599.db2.gz QRUHUVIPSSBQEF-LSDHHAIUSA-N 1 0 381.858 2.972 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4cc(Oc5ccccc5)ncn4)C[C@@H]3C2)cn1 ZINC001164765863 721091438 /nfs/dbraw/zinc/09/14/38/721091438.db2.gz KBBDEPXNZQCQKL-OALUTQOASA-N 1 0 390.491 2.961 20 0 GFADRO COc1ccc2c(ccnc2N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)c1 ZINC001164761678 721096146 /nfs/dbraw/zinc/09/61/46/721096146.db2.gz CMWGITVRYRYXSB-RBUKOAKNSA-N 1 0 377.492 2.935 20 0 GFADRO COc1cccc2ccc(N3C[C@@H]4CC[N@H+](Cc5cnn(C)c5)C[C@@H]4C3)nc21 ZINC001164773204 721096296 /nfs/dbraw/zinc/09/62/96/721096296.db2.gz XCIJZPUCEHFNAL-RBUKOAKNSA-N 1 0 377.492 2.935 20 0 GFADRO Clc1cnc2c(c1)ncnc2N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164866208 721103747 /nfs/dbraw/zinc/10/37/47/721103747.db2.gz SBPFLUOIGJRKLX-IRXDYDNUSA-N 1 0 396.882 2.553 20 0 GFADRO Cc1cc(C(F)(F)N2C[C@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)nc(Cl)n1 ZINC001164773808 721106861 /nfs/dbraw/zinc/10/68/61/721106861.db2.gz ZCSWKAFLSXPZKA-HUUCEWRRSA-N 1 0 396.873 2.675 20 0 GFADRO CCc1c(Cl)nnc(N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)c1CC ZINC001164765623 721138103 /nfs/dbraw/zinc/13/81/03/721138103.db2.gz JQSQVNOWEXPXJF-JKSUJKDBSA-N 1 0 388.947 2.947 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4cc5c(Cl)ccnc5cn4)C[C@H]3C2)cn1 ZINC001164773801 721158781 /nfs/dbraw/zinc/15/87/81/721158781.db2.gz ZAEHINMXIYHKLN-JKSUJKDBSA-N 1 0 382.899 2.975 20 0 GFADRO c1cc2c(nc(C3CC3)nc2N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)[nH]1 ZINC001164881127 721181104 /nfs/dbraw/zinc/18/11/04/721181104.db2.gz ZEXNBHJXZYIJKA-QZTJIDSGSA-N 1 0 390.491 2.710 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(C(F)(F)c4cnc(Cl)c(N)c4)C[C@H]3C2)cn1 ZINC001164766758 721187746 /nfs/dbraw/zinc/18/77/46/721187746.db2.gz JEBISBICOALNPG-UONOGXRCSA-N 1 0 396.873 2.554 20 0 GFADRO Clc1nc2c(nc1N1CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C1)CCCC2 ZINC001164867166 721189178 /nfs/dbraw/zinc/18/91/78/721189178.db2.gz FBENEGMCILZBND-IRXDYDNUSA-N 1 0 399.926 2.884 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4ccnc(Cc5ccccc5)n4)C[C@@H]3C2)cn1 ZINC001164772864 721216383 /nfs/dbraw/zinc/21/63/83/721216383.db2.gz VPSYRSYRNZCARH-RTWAWAEBSA-N 1 0 388.519 2.759 20 0 GFADRO CCc1nc2sccc2c(N2C[C@@H]3C[N@@H+](Cc4cnn(C)c4)CC[C@@H]3C2)n1 ZINC001164763399 721227601 /nfs/dbraw/zinc/22/76/01/721227601.db2.gz FTTRWQLKSBZCGL-CVEARBPZSA-N 1 0 382.537 2.946 20 0 GFADRO CSc1cc(N2C[C@@H]3C[N@@H+](Cc4cnn(C)c4)CC[C@@H]3C2)nc(SC)n1 ZINC001164766601 721241565 /nfs/dbraw/zinc/24/15/65/721241565.db2.gz UZKAPZZGHRWULT-CABCVRRESA-N 1 0 390.582 2.612 20 0 GFADRO COC(=O)c1cc(C(F)(F)N2CC3(C2)CC[N@H+](CC2CC2)C3)cnc1Cl ZINC001164773052 721284595 /nfs/dbraw/zinc/28/45/95/721284595.db2.gz MFOKKYAPHRPMEG-UHFFFAOYSA-N 1 0 385.842 2.989 20 0 GFADRO Cc1nc(C(C)C)cc(N2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)n1 ZINC001164886771 721386087 /nfs/dbraw/zinc/38/60/87/721386087.db2.gz GEBNPUHZQZSSSI-DENIHFKCSA-N 1 0 387.572 2.674 20 0 GFADRO COc1cc(Cl)ncc1N1CC[C@]2(C1)CCC[C@@H](C[NH+]1CCN(C)CC1)O2 ZINC001164888844 721401233 /nfs/dbraw/zinc/40/12/33/721401233.db2.gz OYWHKQCLQOJOJK-JXFKEZNVSA-N 1 0 394.947 2.509 20 0 GFADRO COc1ccc(Cl)c(N2CC[C@@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)n1 ZINC001164890427 721413017 /nfs/dbraw/zinc/41/30/17/721413017.db2.gz SPJRVIUYSOHOMM-OXJNMPFZSA-N 1 0 394.947 2.509 20 0 GFADRO Cc1ccc2nc(N3CC[C@]4(C3)CCC[C@H](C[NH+]3CCN(C)CC3)O4)ncc2c1 ZINC001164885117 721415249 /nfs/dbraw/zinc/41/52/49/721415249.db2.gz FPQRVIUEVARCGA-OFNKIYASSA-N 1 0 395.551 2.704 20 0 GFADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(C)cc(C)n1)CC2 ZINC001164789402 721450128 /nfs/dbraw/zinc/45/01/28/721450128.db2.gz VJEAOCHXBOBSKA-FQEVSTJZSA-N 1 0 388.556 2.827 20 0 GFADRO C[N@H+](Cc1ccc(N2CCC3(C[C@@H](C(=O)NC4CCC4)CO3)CC2)nc1)C1CC1 ZINC001164898227 721490803 /nfs/dbraw/zinc/49/08/03/721490803.db2.gz GCTHRWRHJRHXFZ-GOSISDBHSA-N 1 0 398.551 2.720 20 0 GFADRO COC(=O)c1cnc(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)nc1 ZINC001164791842 721491770 /nfs/dbraw/zinc/49/17/70/721491770.db2.gz FRGBCEDEQFZFRB-UHFFFAOYSA-N 1 0 381.480 2.539 20 0 GFADRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1cncc(-n3ccnc3)n1)CC2 ZINC001164796304 721497760 /nfs/dbraw/zinc/49/77/60/721497760.db2.gz PNPKDXWAHICKTA-UHFFFAOYSA-N 1 0 389.507 2.938 20 0 GFADRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ccc(-n3ccnc3)nn1)CC2 ZINC001164795028 721497936 /nfs/dbraw/zinc/49/79/36/721497936.db2.gz AUOGESFXJDYYPE-UHFFFAOYSA-N 1 0 389.507 2.938 20 0 GFADRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2nccc4c(Cl)cccc42)CC3)CC1 ZINC001164794216 721513309 /nfs/dbraw/zinc/51/33/09/721513309.db2.gz LEILSRAYFNQMKC-UHFFFAOYSA-N 1 0 396.926 2.852 20 0 GFADRO CSc1nc(C)cc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)n1 ZINC001164795162 721525144 /nfs/dbraw/zinc/52/51/44/721525144.db2.gz KPGVUZOTWFJVHN-LNLFQRSKSA-N 1 0 385.537 2.770 20 0 GFADRO CCOC(=O)c1cccc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)n1 ZINC001164912448 721526931 /nfs/dbraw/zinc/52/69/31/721526931.db2.gz ZVLOPKYVSDEKKM-AEFFLSMTSA-N 1 0 385.439 2.739 20 0 GFADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2c[nH]c3ncnc(Cl)c23)[C@@H]2CCCO[C@@H]12 ZINC001164809027 721533817 /nfs/dbraw/zinc/53/38/17/721533817.db2.gz UCTJUTWEESRXII-QGPMSJSTSA-N 1 0 398.898 2.826 20 0 GFADRO CCOC(=O)c1cccc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)n1 ZINC001164803821 721546174 /nfs/dbraw/zinc/54/61/74/721546174.db2.gz JIJMGHQNPUDCGM-SVFBPWRDSA-N 1 0 396.491 2.522 20 0 GFADRO Cc1cnc2c(ccnc2N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)n1 ZINC001164909210 721561378 /nfs/dbraw/zinc/56/13/78/721561378.db2.gz SXYGWKDFHBHOCG-WMZOPIPTSA-N 1 0 379.439 2.814 20 0 GFADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2cc(Cl)nc(C3CC3)n2)CC1 ZINC001165008285 721732039 /nfs/dbraw/zinc/73/20/39/721732039.db2.gz LSDCICDYJNSLQY-UHFFFAOYSA-N 1 0 377.920 2.530 20 0 GFADRO CCOC(=O)c1cc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)ncn1 ZINC001165017787 721807199 /nfs/dbraw/zinc/80/71/99/721807199.db2.gz AQUXSZBMSIMENT-ILZDJORESA-N 1 0 395.507 2.785 20 0 GFADRO CSc1nc(Cl)cc(C(F)(F)N2CC[C@@H]3[C@H]2CCN3CC[NH+](C)C)n1 ZINC001164932764 721850862 /nfs/dbraw/zinc/85/08/62/721850862.db2.gz ZZXNDBIVLVBDNQ-VXGBXAGGSA-N 1 0 391.919 2.611 20 0 GFADRO CCOC(=O)c1cc(N2CC[C@@H]3[C@@H]2CC[N@@H+]3CCN(C)C)nc2ccccc21 ZINC001164931800 721862375 /nfs/dbraw/zinc/86/23/75/721862375.db2.gz WFOZRMVKCUBIMU-UXHICEINSA-N 1 0 382.508 2.626 20 0 GFADRO C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2c1nc(Cl)ccc1CN1CCCC1 ZINC001164924305 721867899 /nfs/dbraw/zinc/86/78/99/721867899.db2.gz KSJZEPGZKUPEBQ-ROUUACIJSA-N 1 0 377.964 2.545 20 0 GFADRO CN(C)CC[N@@H+]1CC[C@H]2[C@H]1CCN2c1cc(-c2nc(C(C)(C)C)no2)ccn1 ZINC001164920870 721875324 /nfs/dbraw/zinc/87/53/24/721875324.db2.gz BHNXGYSUCZATCI-SJORKVTESA-N 1 0 384.528 2.644 20 0 GFADRO CN(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCN2c1nc(-c2ccncc2)nc2sccc21 ZINC001164934422 721886199 /nfs/dbraw/zinc/88/61/99/721886199.db2.gz RNGHVTCCZNUHNE-QZTJIDSGSA-N 1 0 394.548 2.968 20 0 GFADRO Cc1cc2c(ncnc2N2CCC[C@H]([NH+](C)C)C2)n1S(=O)(=O)c1ccccc1 ZINC001165037461 721888129 /nfs/dbraw/zinc/88/81/29/721888129.db2.gz YBEMIURCACHMQJ-INIZCTEOSA-N 1 0 399.520 2.507 20 0 GFADRO C[N@H+](Cc1ccc(N2CC[C@H]3[C@@H](CC(=O)NC4CCC4)OC[C@@H]3C2)nc1)C1CC1 ZINC001164936692 721897505 /nfs/dbraw/zinc/89/75/05/721897505.db2.gz ZPMSKOOKEQGFEO-IOMROCGXSA-N 1 0 398.551 2.576 20 0 GFADRO O=C(OCc1ccccc1)c1ccc(N2CC[NH+](C[C@@H]3CCCO3)CC2)nc1 ZINC001165042663 721920267 /nfs/dbraw/zinc/92/02/67/721920267.db2.gz FPNJDLZUIZOCJG-FQEVSTJZSA-N 1 0 381.476 2.740 20 0 GFADRO C[NH+](C)CC1CCN(c2cc(N3CCN(c4ccccc4)CC3)ncn2)CC1 ZINC001165041866 721950330 /nfs/dbraw/zinc/95/03/30/721950330.db2.gz APBNBLIEQQZZAH-UHFFFAOYSA-N 1 0 380.540 2.581 20 0 GFADRO C[NH+]1CCC(Oc2ccnc(N3CCN(CCOc4ccccc4)CC3)c2)CC1 ZINC001165045004 721961246 /nfs/dbraw/zinc/96/12/46/721961246.db2.gz RVVIJINPAAFGNU-UHFFFAOYSA-N 1 0 396.535 2.756 20 0 GFADRO CCc1nc(C)cc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)n1 ZINC001164961730 722059850 /nfs/dbraw/zinc/05/98/50/722059850.db2.gz ORSSBIUABLYBIE-UHFFFAOYSA-N 1 0 381.524 2.861 20 0 GFADRO CSc1nc(C)cc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164984681 722099345 /nfs/dbraw/zinc/09/93/45/722099345.db2.gz TXTIBVCNQQUAPZ-ZWKOTPCHSA-N 1 0 385.537 2.629 20 0 GFADRO C=C(OCC)c1ccc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)nn1 ZINC001164981092 722118066 /nfs/dbraw/zinc/11/80/66/722118066.db2.gz SLXMUEIESSLDGA-PZJWPPBQSA-N 1 0 395.507 2.606 20 0 GFADRO COc1ccc(Cl)nc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164972467 722123726 /nfs/dbraw/zinc/12/37/26/722123726.db2.gz FRAGNFZVZNYHMN-AEFFLSMTSA-N 1 0 388.899 2.866 20 0 GFADRO c1nc2ccnc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)c2s1 ZINC001164978093 722133056 /nfs/dbraw/zinc/13/30/56/722133056.db2.gz JSZUSNNIUUOVBK-WMZOPIPTSA-N 1 0 381.505 2.814 20 0 GFADRO O=C1COc2ccnc(N3CCC[C@@]4(CC[N@H+]4Cc4cccc(F)c4)C3)c2N1 ZINC001164995261 722200054 /nfs/dbraw/zinc/20/00/54/722200054.db2.gz LTCZEENLHXVVDN-OAQYLSRUSA-N 1 0 382.439 2.797 20 0 GFADRO Cc1cc2c(c(N3CCC[C@@]4(CC[N@@H+]4Cc4cccc(F)c4)C3)n1)C(=O)NC2=O ZINC001164993755 722207067 /nfs/dbraw/zinc/20/70/67/722207067.db2.gz AOFDUVAIDKGGIB-JOCHJYFZSA-N 1 0 394.450 2.658 20 0 GFADRO CC(C)n1ccc2c1ncnc2N1CCCn2cnc(COCC[NH+](C)C)c2C1 ZINC001165002279 722255602 /nfs/dbraw/zinc/25/56/02/722255602.db2.gz MYVOFSNBWKELAL-UHFFFAOYSA-N 1 0 397.527 2.697 20 0 GFADRO COCCc1cc(NC(=O)[C@@]23CCC[C@@H]2C[N@H+](Cc2ccccc2)C3)n(C)n1 ZINC000328608570 206231906 /nfs/dbraw/zinc/23/19/06/206231906.db2.gz ZRDCKTRKJDCMSK-XMSQKQJNSA-N 1 0 382.508 2.850 20 0 GFADRO COc1ccc(CCNC(=O)[C@H](C)[N@@H+]2CC[C@H](Cc3ccncc3)C2)cc1OC ZINC000359864860 206265237 /nfs/dbraw/zinc/26/52/37/206265237.db2.gz DSPLKBFZFHDXNQ-FXAWDEMLSA-N 1 0 397.519 2.711 20 0 GFADRO COc1ccc(CCNC(=O)[C@@H](C)[N@@H+]2CC[C@H](Cc3ccncc3)C2)cc1OC ZINC000359864863 206266160 /nfs/dbraw/zinc/26/61/60/206266160.db2.gz DSPLKBFZFHDXNQ-YLJYHZDGSA-N 1 0 397.519 2.711 20 0 GFADRO COc1ccc(CCNC(=O)[C@@H](C)[N@@H+]2CC[C@@H](Cc3ccncc3)C2)cc1OC ZINC000359864862 206266183 /nfs/dbraw/zinc/26/61/83/206266183.db2.gz DSPLKBFZFHDXNQ-XLIONFOSSA-N 1 0 397.519 2.711 20 0 GFADRO CC(C)c1nccn1C[C@@H]1CCC[N@@H+]1Cc1cnc(N2CCOCC2)s1 ZINC000359879406 206267772 /nfs/dbraw/zinc/26/77/72/206267772.db2.gz RVEPCCBCECMKEZ-INIZCTEOSA-N 1 0 375.542 2.964 20 0 GFADRO Cc1cc(CN2CCN(Cc3nc4c(s3)C[N@H+](C(C)C)CC4)CC2)on1 ZINC000359963235 206273114 /nfs/dbraw/zinc/27/31/14/206273114.db2.gz YSMHILAGYNLRFF-UHFFFAOYSA-N 1 0 375.542 2.524 20 0 GFADRO COc1cc(Cl)c(C[NH2+]C[C@H]2CCC[C@]23NC(=O)N(C)C3=O)cc1Cl ZINC000359979987 206275519 /nfs/dbraw/zinc/27/55/19/206275519.db2.gz WFEWOXOZCYWSMN-DIFFPNOSSA-N 1 0 386.279 2.812 20 0 GFADRO Cc1c(C(=O)NCC[NH+](C(C)C)C(C)C)sc2nc3n(c(=O)c12)CCC3 ZINC000021902100 207241564 /nfs/dbraw/zinc/24/15/64/207241564.db2.gz DZTKCBWAOJEJHC-UHFFFAOYSA-N 1 0 376.526 2.561 20 0 GFADRO C[C@@H](CNC(=O)Cc1csc(NC(=O)c2ccccc2)n1)C[NH+]1CCCC1 ZINC000047905265 207685872 /nfs/dbraw/zinc/68/58/72/207685872.db2.gz PRLLXCJPNAEZNJ-HNNXBMFYSA-N 1 0 386.521 2.786 20 0 GFADRO C[NH+](C)CC(C)(C)CNS(=O)(=O)c1ccc(Cl)c(Br)c1 ZINC000234255083 553067432 /nfs/dbraw/zinc/06/74/32/553067432.db2.gz LGWOZTUHGQSPNU-UHFFFAOYSA-N 1 0 383.739 2.969 20 0 GFADRO CCOC[C@H]1CC[N@H+](C[C@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000439435966 563724961 /nfs/dbraw/zinc/72/49/61/563724961.db2.gz FKLUPDZFYJTIHY-WFASDCNBSA-N 1 0 376.266 2.686 20 0 GFADRO Cc1cc(Br)c(S(=O)(=O)N2CCC([NH2+]CC3CC3)CC2)s1 ZINC000440402646 563741632 /nfs/dbraw/zinc/74/16/32/563741632.db2.gz BNCWSSCNHTUALF-UHFFFAOYSA-N 1 0 393.372 2.972 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)C[NH+]1CCC(C)CC1 ZINC000007459764 551100475 /nfs/dbraw/zinc/10/04/75/551100475.db2.gz JRGHITIRZFHNQH-UHFFFAOYSA-N 1 0 396.329 2.886 20 0 GFADRO CCCCNC(=O)NC(=O)C[NH2+][C@H](C)c1ccc(OC)c(Br)c1 ZINC000007879708 551102084 /nfs/dbraw/zinc/10/20/84/551102084.db2.gz WCNOZCPGDIZEKC-LLVKDONJSA-N 1 0 386.290 2.734 20 0 GFADRO CC[NH+]1CCN(CC(=O)N2CCc3sccc3[C@H]2c2cccs2)CC1 ZINC000029596898 551126561 /nfs/dbraw/zinc/12/65/61/551126561.db2.gz MYDQOZXORSRIGR-IBGZPJMESA-N 1 0 375.563 2.921 20 0 GFADRO O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)c1coc(Br)c1 ZINC000032760797 551131670 /nfs/dbraw/zinc/13/16/70/551131670.db2.gz ZIHZVGPHRSQQBG-UHFFFAOYSA-N 1 0 392.297 2.590 20 0 GFADRO CC(C)[NH+]1CCC(N(C)S(=O)(=O)c2ccccc2Br)CC1 ZINC000040432046 551134222 /nfs/dbraw/zinc/13/42/22/551134222.db2.gz UNRAMWVHDKODSC-UHFFFAOYSA-N 1 0 375.332 2.942 20 0 GFADRO C[C@H](CNS(=O)(=O)c1cccc(Br)c1)C[NH+]1CCCCC1 ZINC000040446432 551135026 /nfs/dbraw/zinc/13/50/26/551135026.db2.gz VMEJBEGAIMQGGF-CYBMUJFWSA-N 1 0 375.332 2.849 20 0 GFADRO CC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CCN(c2ccccc2Br)C1=O ZINC000045036910 551145209 /nfs/dbraw/zinc/14/52/09/551145209.db2.gz NIHQZGAANHMYMA-KGLIPLIRSA-N 1 0 396.329 2.649 20 0 GFADRO CN1CCC([NH+]2CCC(NC(=O)Cc3ccc(Br)cc3)CC2)CC1 ZINC000050802308 551161632 /nfs/dbraw/zinc/16/16/32/551161632.db2.gz IALCREKYKVGOTN-UHFFFAOYSA-N 1 0 394.357 2.666 20 0 GFADRO O=C(CSCc1cccc(Cl)c1)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000052918059 551164809 /nfs/dbraw/zinc/16/48/09/551164809.db2.gz NTTCERHZLFXALU-UHFFFAOYSA-N 1 0 381.973 2.813 20 0 GFADRO C[NH+](C)CC1CCN(C(=O)[C@@H]2CCCN2C(=O)c2ccc(Cl)s2)CC1 ZINC000056983264 551178842 /nfs/dbraw/zinc/17/88/42/551178842.db2.gz ZWLBECPAVVIKQW-AWEZNQCLSA-N 1 0 383.945 2.806 20 0 GFADRO O=C(N[C@H]1CC[N@@H+](C2CC2)C1)c1[nH]nc(-c2ccccc2)c1Br ZINC000057555043 551180896 /nfs/dbraw/zinc/18/08/96/551180896.db2.gz ZVQKRZGJMCVDKX-LBPRGKRZSA-N 1 0 375.270 2.806 20 0 GFADRO C[NH+]1CCN(c2ncccc2CNC(=O)CCc2ccc(Cl)s2)CC1 ZINC000066343430 551186980 /nfs/dbraw/zinc/18/69/80/551186980.db2.gz RLQDZPJYEJZSDY-UHFFFAOYSA-N 1 0 378.929 2.797 20 0 GFADRO C[NH+](C)C1CCN(C(=O)[C@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)CC1 ZINC000066395599 551187345 /nfs/dbraw/zinc/18/73/45/551187345.db2.gz BAYRKXXBAITKPY-CQSZACIVSA-N 1 0 384.307 2.899 20 0 GFADRO COc1cccc(OC)c1OC[C@H](O)C[NH2+]Cc1ccc(Br)cc1 ZINC000067976954 551190920 /nfs/dbraw/zinc/19/09/20/551190920.db2.gz BNRASPJZGGHVGN-OAHLLOKOSA-N 1 0 396.281 2.996 20 0 GFADRO C[C@@H](CC[NH+](C)C)NC(=O)N1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000068591028 551192352 /nfs/dbraw/zinc/19/23/52/551192352.db2.gz CNNKSMSIUZJDQA-BBRMVZONSA-N 1 0 384.318 2.872 20 0 GFADRO CC[N@@H+]1CCCC[C@H]1C(=O)NCC(=O)Nc1cc(Br)ccc1C ZINC000104352884 551198422 /nfs/dbraw/zinc/19/84/22/551198422.db2.gz MTLXVYVNBJQXBN-HNNXBMFYSA-N 1 0 382.302 2.687 20 0 GFADRO CN(C)CC[NH+]1CCC(CNC(=O)COc2ccc(Cl)cc2Cl)CC1 ZINC000114141866 551209408 /nfs/dbraw/zinc/20/94/08/551209408.db2.gz HKSAJWQEUQURAC-UHFFFAOYSA-N 1 0 388.339 2.762 20 0 GFADRO C[NH+]1CCC(NC(=O)C(=O)Nc2cccc(Cl)c2SCC(F)F)CC1 ZINC000119170134 551215497 /nfs/dbraw/zinc/21/54/97/551215497.db2.gz OVZWKALYMITHNZ-UHFFFAOYSA-N 1 0 391.871 2.846 20 0 GFADRO C[N@@H+]1CCC[C@H]2CN(C(=O)NCCc3nc(C(F)(F)F)cs3)CC[C@@H]21 ZINC000119623622 551217905 /nfs/dbraw/zinc/21/79/05/551217905.db2.gz YKQNWQZWYKAQFZ-RYUDHWBXSA-N 1 0 376.448 2.830 20 0 GFADRO C[N@@H+]1CCC[C@H]1CCN1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000120400002 551220829 /nfs/dbraw/zinc/22/08/29/551220829.db2.gz SJWZURHTLOJXST-KRWDZBQOSA-N 1 0 380.330 2.691 20 0 GFADRO COC(=O)[C@H](C)C[N@H+](C)CCC(=O)Nc1ccc(Br)cc1F ZINC000120762607 551221529 /nfs/dbraw/zinc/22/15/29/551221529.db2.gz BMIDATSFASBGLN-SNVBAGLBSA-N 1 0 375.238 2.658 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CNC(=O)CNC(=O)c1sc2ccccc2c1Cl ZINC000120799526 551222078 /nfs/dbraw/zinc/22/20/78/551222078.db2.gz LEOPWQAPEGISDM-LBPRGKRZSA-N 1 0 379.913 2.885 20 0 GFADRO CC[NH+](CC)CCCNC(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000120987873 551224315 /nfs/dbraw/zinc/22/43/15/551224315.db2.gz KTNZYPIURWTCQK-AWEZNQCLSA-N 1 0 396.329 2.650 20 0 GFADRO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CCOC[C@H]1CCCO1 ZINC000121004557 551224779 /nfs/dbraw/zinc/22/47/79/551224779.db2.gz UTJHDGZEXDXVIX-CZUORRHYSA-N 1 0 385.302 2.951 20 0 GFADRO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CCOC[C@@H]1CCCO1 ZINC000121004267 551224901 /nfs/dbraw/zinc/22/49/01/551224901.db2.gz UTJHDGZEXDXVIX-CJNGLKHVSA-N 1 0 385.302 2.951 20 0 GFADRO Cc1cccc(NC(=O)C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1Br ZINC000121079218 551226600 /nfs/dbraw/zinc/22/66/00/551226600.db2.gz YJRAIHUNLZYZKZ-AGUYFDCRSA-N 1 0 394.313 2.828 20 0 GFADRO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CCOC[C@@H]1CCCO1 ZINC000121175600 551228455 /nfs/dbraw/zinc/22/84/55/551228455.db2.gz UUIZODBKQMMDDN-CJNGLKHVSA-N 1 0 385.302 2.951 20 0 GFADRO COC(=O)[C@H](c1cccc(Br)c1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000121222795 551230263 /nfs/dbraw/zinc/23/02/63/551230263.db2.gz UGVAVYKDLQNPJV-KRWDZBQOSA-N 1 0 390.281 2.880 20 0 GFADRO C[C@H](CNC(=O)CCOc1cccc(Cl)c1Cl)C[NH+]1CCN(C)CC1 ZINC000121741856 551241593 /nfs/dbraw/zinc/24/15/93/551241593.db2.gz PHHWBMHYQSBEDP-CQSZACIVSA-N 1 0 388.339 2.762 20 0 GFADRO Cc1c(Br)cccc1NC(=O)C(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000121888651 551244722 /nfs/dbraw/zinc/24/47/22/551244722.db2.gz GBANBSHZOHWOLQ-ZDUSSCGKSA-N 1 0 396.329 2.934 20 0 GFADRO O=S(=O)(NCC[NH2+]Cc1ccc(F)cc1C(F)(F)F)c1cccs1 ZINC000122240309 551296081 /nfs/dbraw/zinc/29/60/81/551296081.db2.gz OFRBLVFYHXOLMZ-UHFFFAOYSA-N 1 0 382.404 2.974 20 0 GFADRO Cc1sc(Br)cc1S(=O)(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000122381221 551297350 /nfs/dbraw/zinc/29/73/50/551297350.db2.gz WOCRBXIXDAWUQP-GHMZBOCLSA-N 1 0 379.345 2.724 20 0 GFADRO C[NH+](C)C[C@H]1CCN(C(=O)c2cc(F)c(F)cc2I)C1 ZINC000123123799 551302996 /nfs/dbraw/zinc/30/29/96/551302996.db2.gz LYWAJPLNLSELCV-SECBINFHSA-N 1 0 394.203 2.593 20 0 GFADRO COCc1ccc(C[NH+]2CCC(NS(=O)(=O)c3cccs3)CC2)cc1 ZINC000123624923 551307708 /nfs/dbraw/zinc/30/77/08/551307708.db2.gz ZEVJDYCCTIGKPW-UHFFFAOYSA-N 1 0 380.535 2.837 20 0 GFADRO CC(=O)NC[C@H]1CCC[N@H+](CCC(=O)Nc2cccc(Br)c2)C1 ZINC000124117285 551311084 /nfs/dbraw/zinc/31/10/84/551311084.db2.gz BHCCQBHIUZKTHB-CQSZACIVSA-N 1 0 382.302 2.626 20 0 GFADRO COc1ccc(C[NH2+][C@@H](C)c2ccc(S(N)(=O)=O)cc2)cc1Br ZINC000124422330 551314403 /nfs/dbraw/zinc/31/44/03/551314403.db2.gz OPWJTPOZROXWDI-NSHDSACASA-N 1 0 399.310 2.956 20 0 GFADRO CS(=O)(=O)c1csc(C(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)c1 ZINC000124894903 551319226 /nfs/dbraw/zinc/31/92/26/551319226.db2.gz UQADPUMEGYDFFS-HNNXBMFYSA-N 1 0 384.567 2.880 20 0 GFADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)c1cncc(O)c1 ZINC000125485140 551321868 /nfs/dbraw/zinc/32/18/68/551321868.db2.gz WNCKDQKKXLEETF-UHFFFAOYSA-N 1 0 378.270 2.754 20 0 GFADRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)c3csc(I)c3)C[C@H]21 ZINC000125705143 551322942 /nfs/dbraw/zinc/32/29/42/551322942.db2.gz ZHVAXWKIXWDAHK-JMJZKYOTSA-N 1 0 376.263 2.552 20 0 GFADRO COc1ccc(C[N@@H+]2CCCC[C@@H]2[C@H]2CNC(=O)C2)c(Br)c1OC ZINC000125753726 551324106 /nfs/dbraw/zinc/32/41/06/551324106.db2.gz TVCNBCKRARHQNJ-ZIAGYGMSSA-N 1 0 397.313 2.957 20 0 GFADRO COc1ccc(C[N@@H+]2CCCC[C@H]2[C@H]2CNC(=O)C2)c(Br)c1OC ZINC000125753972 551324129 /nfs/dbraw/zinc/32/41/29/551324129.db2.gz TVCNBCKRARHQNJ-KGLIPLIRSA-N 1 0 397.313 2.957 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+]C[C@@]1(O)CCSC1 ZINC000126318469 551328496 /nfs/dbraw/zinc/32/84/96/551328496.db2.gz RRBPDVNGGSBUSX-INIZCTEOSA-N 1 0 382.327 2.901 20 0 GFADRO C[NH+](C)C[C@H](O)COc1ccc(NC(=O)c2ccc(Br)o2)cc1 ZINC000126830555 551333199 /nfs/dbraw/zinc/33/31/99/551333199.db2.gz WCPCUIOYUPUQRW-LBPRGKRZSA-N 1 0 383.242 2.596 20 0 GFADRO C[NH+](C)C[C@@H](O)COc1ccc(NC(=O)c2ccc(Br)o2)cc1 ZINC000126830792 551333293 /nfs/dbraw/zinc/33/32/93/551333293.db2.gz WCPCUIOYUPUQRW-GFCCVEGCSA-N 1 0 383.242 2.596 20 0 GFADRO COc1ccc(I)c(NC(=O)N[C@@H](C)CCC[NH3+])c1 ZINC000415077163 563758830 /nfs/dbraw/zinc/75/88/30/563758830.db2.gz SWPGTVSXLSPXHH-VIFPVBQESA-N 1 0 377.226 2.549 20 0 GFADRO C[C@H](CCS(C)(=O)=O)[NH2+][C@H](C)CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000127147161 551337219 /nfs/dbraw/zinc/33/72/19/551337219.db2.gz APXHQVLRUWBBGC-VXGBXAGGSA-N 1 0 380.432 2.835 20 0 GFADRO O=C(NC[C@H]1C[C@H](O)C[N@H+]1Cc1ccccc1)c1cccc(Br)c1 ZINC000127133923 551337317 /nfs/dbraw/zinc/33/73/17/551337317.db2.gz JSXIDVYCCOMUBH-MSOLQXFVSA-N 1 0 389.293 2.814 20 0 GFADRO Cc1ccc(Br)c(S(=O)(=O)N(C)CC2CC[NH+](C)CC2)c1 ZINC000127239581 551338608 /nfs/dbraw/zinc/33/86/08/551338608.db2.gz UCXVNEATQUPECE-UHFFFAOYSA-N 1 0 375.332 2.720 20 0 GFADRO CC[NH+]1CCN([C@H]2CCN(C(=O)c3cc(C)cc(Br)c3)C2)CC1 ZINC000127462763 551341147 /nfs/dbraw/zinc/34/11/47/551341147.db2.gz SCZBVIIQCISNGO-KRWDZBQOSA-N 1 0 380.330 2.610 20 0 GFADRO Cc1ccc(NC(=O)C(=O)NCCC2CC[NH+](C)CC2)c(Br)c1 ZINC000128977733 551354333 /nfs/dbraw/zinc/35/43/33/551354333.db2.gz FPQLKYJKAKJTPQ-UHFFFAOYSA-N 1 0 382.302 2.544 20 0 GFADRO Cc1cc(Br)ccc1CN1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC000129328568 551355846 /nfs/dbraw/zinc/35/58/46/551355846.db2.gz HBYQWBMCTSALKC-UHFFFAOYSA-N 1 0 394.357 2.888 20 0 GFADRO C[C@H](C(=O)Nc1cccc(Cl)c1Cl)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000129311540 551356082 /nfs/dbraw/zinc/35/60/82/551356082.db2.gz WUJPRJJBZJLUIM-ZIAGYGMSSA-N 1 0 386.323 2.975 20 0 GFADRO C[C@@H](C[N@@H+]1CCCN(CC(=O)N(C)C)CC1)c1cccc(Br)c1 ZINC000129415216 551357562 /nfs/dbraw/zinc/35/75/62/551357562.db2.gz WPAVGLBXQJTPQS-HNNXBMFYSA-N 1 0 382.346 2.649 20 0 GFADRO C[NH+](C)CCOc1cc(CNC(=O)Nc2ccc(Br)nc2)ccn1 ZINC000130063237 551361853 /nfs/dbraw/zinc/36/18/53/551361853.db2.gz LYMRPYAZFHIFOL-UHFFFAOYSA-N 1 0 394.273 2.501 20 0 GFADRO C[NH+]1CCN(CCCSc2nnc(NCCc3cccs3)s2)CC1 ZINC000130289581 551362896 /nfs/dbraw/zinc/36/28/96/551362896.db2.gz YTFKBWCYNODPDY-UHFFFAOYSA-N 1 0 383.612 2.984 20 0 GFADRO NC(=O)[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000130616779 551367256 /nfs/dbraw/zinc/36/72/56/551367256.db2.gz MKNRGKKEGBOJAX-ZYHUDNBSSA-N 1 0 375.803 2.514 20 0 GFADRO NC(=O)[C@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000130668575 551367532 /nfs/dbraw/zinc/36/75/32/551367532.db2.gz FNIKONNGPHELPL-GWCFXTLKSA-N 1 0 377.794 2.931 20 0 GFADRO CS(=O)(=O)N1CCC[C@H](C[NH2+]C2(c3ccc(Br)cc3)CC2)C1 ZINC000131253845 551373433 /nfs/dbraw/zinc/37/34/33/551373433.db2.gz KNMFAJZMOONMHV-CYBMUJFWSA-N 1 0 387.343 2.699 20 0 GFADRO C[NH2+][C@H]1CCCN(C(=O)[C@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)C1 ZINC000132856666 551379864 /nfs/dbraw/zinc/37/98/64/551379864.db2.gz MQBDOUXIROOIMV-XJKSGUPXSA-N 1 0 384.307 2.808 20 0 GFADRO C[N@H+](CC(=O)N(CCO)Cc1ccc(Cl)c(Cl)c1)[C@@H]1CCSC1 ZINC000133480429 551383214 /nfs/dbraw/zinc/38/32/14/551383214.db2.gz FDKVPHBYASGBCB-CYBMUJFWSA-N 1 0 377.337 2.752 20 0 GFADRO O=C(CN1CC[NH+](CCc2cccs2)CC1)N1CCc2sccc2C1 ZINC000141406656 551394259 /nfs/dbraw/zinc/39/42/59/551394259.db2.gz AOECGLKTYSFBCL-UHFFFAOYSA-N 1 0 375.563 2.555 20 0 GFADRO C[C@@H]([NH2+]C1CCN(S(C)(=O)=O)CC1)c1cc(Br)ccc1F ZINC000149518169 551398873 /nfs/dbraw/zinc/39/88/73/551398873.db2.gz YMNNHWZMYCHMDD-SNVBAGLBSA-N 1 0 379.295 2.663 20 0 GFADRO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)CSc1nncs1 ZINC000150897156 551403438 /nfs/dbraw/zinc/40/34/38/551403438.db2.gz TYQACOGVWIFKKK-ZIAGYGMSSA-N 1 0 376.551 2.903 20 0 GFADRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)NCCOc1ncc(Cl)cc1Cl ZINC000151033358 551406291 /nfs/dbraw/zinc/40/62/91/551406291.db2.gz AQCZVEFMBUFYAR-LBPRGKRZSA-N 1 0 375.300 2.750 20 0 GFADRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1cc(S(C)(=O)=O)ccc1Cl ZINC000151312445 551411238 /nfs/dbraw/zinc/41/12/38/551411238.db2.gz KUUYFZKHVCDBHD-HZSPNIEDSA-N 1 0 386.945 2.840 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)Cc2cc3c(cc2Br)OCCO3)C[N@@H+]1C1CC1 ZINC000151311808 551411274 /nfs/dbraw/zinc/41/12/74/551411274.db2.gz UNBFWVICWKYQAB-DGCLKSJQSA-N 1 0 395.297 2.504 20 0 GFADRO O=S(=O)(c1ccc(Br)s1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000151603094 551417743 /nfs/dbraw/zinc/41/77/43/551417743.db2.gz FWSXLHWNNNBSGU-LLVKDONJSA-N 1 0 379.345 2.617 20 0 GFADRO C[NH+](C)CC1CCC(NS(=O)(=O)Cc2ccc(Br)cc2)CC1 ZINC000151758806 551420376 /nfs/dbraw/zinc/42/03/76/551420376.db2.gz GYXISLYQRHGRHG-UHFFFAOYSA-N 1 0 389.359 2.989 20 0 GFADRO CS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC(C[NH+]3CCCC3)CC2)c1 ZINC000151918618 551423566 /nfs/dbraw/zinc/42/35/66/551423566.db2.gz MLOFEHNSEPCEBQ-UHFFFAOYSA-N 1 0 384.929 2.692 20 0 GFADRO COCCC[N@H+](C)CCNC(=O)c1[nH]nc(-c2ccccc2)c1Br ZINC000152351894 551431580 /nfs/dbraw/zinc/43/15/80/551431580.db2.gz ADSVASALIDMLGJ-UHFFFAOYSA-N 1 0 395.301 2.537 20 0 GFADRO CC(C)n1cnc(S(=O)(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)c1 ZINC000152448965 551432948 /nfs/dbraw/zinc/43/29/48/551432948.db2.gz WOIMXSGONUKYCS-OAHLLOKOSA-N 1 0 382.555 2.716 20 0 GFADRO O=C(C[NH2+]C[C@@H]1CCCO1)NCC1(c2cccc(Br)c2)CCC1 ZINC000152681901 551437932 /nfs/dbraw/zinc/43/79/32/551437932.db2.gz UNQUQCICXRTDTO-INIZCTEOSA-N 1 0 381.314 2.756 20 0 GFADRO CSC[C@@H](CCO)NC(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000152929244 551443115 /nfs/dbraw/zinc/44/31/15/551443115.db2.gz WIJVARYJZCTCSE-HZPDHXFCSA-N 1 0 385.599 2.934 20 0 GFADRO O[C@H](C[N@@H+]1CCC[C@H](c2nnc3n2CCC3)C1)c1ccccc1Br ZINC000152974406 551444351 /nfs/dbraw/zinc/44/43/51/551444351.db2.gz UZSOWXIWYLWSTC-XJKSGUPXSA-N 1 0 391.313 2.900 20 0 GFADRO O=C(Nc1ccccc1Br)C1CC[NH+](CC2(O)CCOCC2)CC1 ZINC000153020419 551444701 /nfs/dbraw/zinc/44/47/01/551444701.db2.gz QTIKHSFGTKYWCX-UHFFFAOYSA-N 1 0 397.313 2.641 20 0 GFADRO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]C[C@H](C)CN1CCOCC1 ZINC000153116420 551446749 /nfs/dbraw/zinc/44/67/49/551446749.db2.gz RLTXJTZNJHFEAD-LSDHHAIUSA-N 1 0 398.345 2.724 20 0 GFADRO CSC[C@@H](CCO)NC(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000153450966 551453378 /nfs/dbraw/zinc/45/33/78/551453378.db2.gz BZIHXMLPGRWLJG-IAGOWNOFSA-N 1 0 385.961 2.890 20 0 GFADRO NC(=O)[C@@H](c1cccc(Br)c1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000154045526 551465949 /nfs/dbraw/zinc/46/59/49/551465949.db2.gz VUGNTVHHAURAPI-QGZVFWFLSA-N 1 0 380.330 2.783 20 0 GFADRO C[C@@H](CNC(=O)c1c(F)cccc1I)[N@H+](C)C1CC1 ZINC000154106234 551468092 /nfs/dbraw/zinc/46/80/92/551468092.db2.gz HWRUIDRORMUVMB-VIFPVBQESA-N 1 0 376.213 2.643 20 0 GFADRO O=C(CCc1cc(Br)ccc1F)NCCCC[NH+]1CCOCC1 ZINC000154212934 551469867 /nfs/dbraw/zinc/46/98/67/551469867.db2.gz UVYGQNLSVLNVDH-UHFFFAOYSA-N 1 0 387.293 2.749 20 0 GFADRO O=C(NCc1cc(Br)ccc1F)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC000154344113 551472737 /nfs/dbraw/zinc/47/27/37/551472737.db2.gz DMZKZCULXWGNLI-INIZCTEOSA-N 1 0 385.277 2.848 20 0 GFADRO C[NH2+]C[C@@H](C)CNC(=O)c1ccc(NC(=O)c2ccc(Br)o2)cc1 ZINC000154568711 551478010 /nfs/dbraw/zinc/47/80/10/551478010.db2.gz YNIABFWVYGAVEC-LLVKDONJSA-N 1 0 394.269 2.880 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CNC(=O)CCC1CC[NH2+]CC1 ZINC000155314326 551496928 /nfs/dbraw/zinc/49/69/28/551496928.db2.gz HBRQYIOZQLLTCV-UHFFFAOYSA-N 1 0 382.302 2.592 20 0 GFADRO O=C([C@@H]1CCC[N@@H+]1C1CCOCC1)N1CCc2ccc(Br)cc21 ZINC000155342451 551497511 /nfs/dbraw/zinc/49/75/11/551497511.db2.gz LQGURBSPFBBHBV-INIZCTEOSA-N 1 0 379.298 2.982 20 0 GFADRO CC(C)[N@H+]1C[C@H](NC(=O)c2cc(Br)c3c(c2)OCCO3)[C@@H](C)C1 ZINC000155432352 551499760 /nfs/dbraw/zinc/49/97/60/551499760.db2.gz KBTWKZCHFQIAAG-FZMZJTMJSA-N 1 0 383.286 2.679 20 0 GFADRO COc1ccc(Cl)cc1C1(CNC(=O)[C@H]([NH3+])CCSC)CCOCC1 ZINC000155487213 551500941 /nfs/dbraw/zinc/50/09/41/551500941.db2.gz DAAYZGGUEPSYDJ-OAHLLOKOSA-N 1 0 386.945 2.593 20 0 GFADRO C[N@H+](CCNS(=O)(=O)c1cc(F)ccc1Br)C1CCCC1 ZINC000155974728 551512168 /nfs/dbraw/zinc/51/21/68/551512168.db2.gz ZDRDTWBYCQPYNA-UHFFFAOYSA-N 1 0 379.295 2.741 20 0 GFADRO CCCC[N@H+](C)CCNC(=O)C(=O)Nc1ccc(Cl)cc1Br ZINC000156108848 551514575 /nfs/dbraw/zinc/51/45/75/551514575.db2.gz MTFDBHDOOKHPCD-UHFFFAOYSA-N 1 0 390.709 2.889 20 0 GFADRO C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(Cl)cc2Br)C1 ZINC000156628251 551526090 /nfs/dbraw/zinc/52/60/90/551526090.db2.gz MAXLTZZMQGJOQK-LLVKDONJSA-N 1 0 388.693 2.594 20 0 GFADRO Cn1cc(Br)cc1C[N@H+](C)C[C@H](O)COCc1ccccc1F ZINC000156895191 551530129 /nfs/dbraw/zinc/53/01/29/551530129.db2.gz OBOZZCYMJJVZGY-INIZCTEOSA-N 1 0 385.277 2.936 20 0 GFADRO O=C(C[NH+]1CCC(C(=O)Nc2ccccc2Br)CC1)N1CCCC1 ZINC000156875785 551530149 /nfs/dbraw/zinc/53/01/49/551530149.db2.gz DSFSLQNSTIIWGG-UHFFFAOYSA-N 1 0 394.313 2.722 20 0 GFADRO CC[C@H]1CCC[N@@H+](C(C)(C)CNS(=O)(=O)c2ccsc2C(=O)OC)C1 ZINC000157450919 551538382 /nfs/dbraw/zinc/53/83/82/551538382.db2.gz JDLLFOWMBXEREP-ZDUSSCGKSA-N 1 0 388.555 2.714 20 0 GFADRO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]C[C@@](C)(O)c2ccccc2Cl)c1 ZINC000157611250 551540422 /nfs/dbraw/zinc/54/04/22/551540422.db2.gz ZSLCYTLIARJLGK-FZKQIMNGSA-N 1 0 382.913 2.806 20 0 GFADRO Cc1ccc(NC(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)c(Br)c1 ZINC000157702914 551541769 /nfs/dbraw/zinc/54/17/69/551541769.db2.gz XWKRVHDYNGYMJO-AWEZNQCLSA-N 1 0 383.334 2.763 20 0 GFADRO COC(=O)c1ccsc1N1CC[C@H](N(C)CCc2ncc(C)s2)C1=O ZINC000157758748 551542233 /nfs/dbraw/zinc/54/22/33/551542233.db2.gz CETJWVUASUMAGY-ZDUSSCGKSA-N 1 0 379.507 2.579 20 0 GFADRO C[C@H]1CN(C(=O)Nc2cc(F)c(F)cc2I)CC[C@@H]1[NH3+] ZINC000415242279 563763438 /nfs/dbraw/zinc/76/34/38/563763438.db2.gz UKTVXRFSHDDOPD-CPCISQLKSA-N 1 0 395.191 2.770 20 0 GFADRO [NH3+][C@@H]1CCCN(C(=O)c2cc(I)cc(C(F)(F)F)c2)C1 ZINC000158245911 551549128 /nfs/dbraw/zinc/54/91/28/551549128.db2.gz LFMSHAZFIFHYED-LLVKDONJSA-N 1 0 398.166 2.873 20 0 GFADRO O=C(c1ccc(I)c(Cl)c1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000158321714 551550033 /nfs/dbraw/zinc/55/00/33/551550033.db2.gz KRBZSVCCOFZAGY-CQSZACIVSA-N 1 0 390.652 2.770 20 0 GFADRO CC[C@@H](C)[N@H+](C)CCNC(=O)c1cc(=O)[nH]c2ccc(Br)cc21 ZINC000158397120 551551574 /nfs/dbraw/zinc/55/15/74/551551574.db2.gz MQXNGQBNLSUCEH-LLVKDONJSA-N 1 0 380.286 2.751 20 0 GFADRO O=C(Cc1ccc(Br)c(F)c1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000158419269 551551645 /nfs/dbraw/zinc/55/16/45/551551645.db2.gz JPKVNMOBXBJHSA-UHFFFAOYSA-N 1 0 399.304 2.702 20 0 GFADRO CC1CC[NH+](C[C@@H](O)CNS(=O)(=O)Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000161643267 551596991 /nfs/dbraw/zinc/59/69/91/551596991.db2.gz CNBHFRPQVPGDBU-INIZCTEOSA-N 1 0 395.352 2.506 20 0 GFADRO c1csc(Cn2cccc2C[NH2+]C[C@@]2(N3CCOCC3)CCSC2)c1 ZINC000161757984 551598447 /nfs/dbraw/zinc/59/84/47/551598447.db2.gz PJZONXSCJYFNAN-IBGZPJMESA-N 1 0 377.579 2.895 20 0 GFADRO O=S(=O)(NCCCC[N@H+]1CCC[C@H]1CO)c1ccc(Cl)c(Cl)c1 ZINC000161745917 551598488 /nfs/dbraw/zinc/59/84/88/551598488.db2.gz ORXGAIAKFJCUHL-LBPRGKRZSA-N 1 0 381.325 2.509 20 0 GFADRO O=S(=O)(Cc1ccon1)NCC[NH2+][C@H]1CCc2c1ccc(Cl)c2Cl ZINC000162434339 551608420 /nfs/dbraw/zinc/60/84/20/551608420.db2.gz HRGFLWVTQXZJDN-AWEZNQCLSA-N 1 0 390.292 2.678 20 0 GFADRO CC(C)CN(CC[NH+](C)C)C(=O)C(=O)Nc1cc(F)ccc1Br ZINC000162763122 551612691 /nfs/dbraw/zinc/61/26/91/551612691.db2.gz CNPGQJYAXZNUGC-UHFFFAOYSA-N 1 0 388.281 2.573 20 0 GFADRO C[NH+](C)CCN(C(=O)C(=O)Nc1ccccc1Br)C1CCCC1 ZINC000162865086 551613723 /nfs/dbraw/zinc/61/37/23/551613723.db2.gz JIZWGXUPKHOLHL-UHFFFAOYSA-N 1 0 382.302 2.720 20 0 GFADRO CC[S@](=O)[C@H]1CCC[C@H]([NH2+][C@@H](C)c2ccc(S(C)(=O)=O)c(F)c2)C1 ZINC000162913842 551614253 /nfs/dbraw/zinc/61/42/53/551614253.db2.gz IEWSNMARFOIDHW-POSNEQLBSA-N 1 0 375.531 2.960 20 0 GFADRO COCCNS(=O)(=O)c1ccc(C[NH2+][C@H]2CCCc3sccc32)cc1 ZINC000162927629 551614839 /nfs/dbraw/zinc/61/48/39/551614839.db2.gz BFAOAMHZEMREEI-KRWDZBQOSA-N 1 0 380.535 2.840 20 0 GFADRO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N(C)Cc1cc(Br)cn1C ZINC000163494206 551619951 /nfs/dbraw/zinc/61/99/51/551619951.db2.gz NYWGJCDAAUKCCH-MRXNPFEDSA-N 1 0 386.334 2.539 20 0 GFADRO CC(C)[C@@H]([NH2+][C@H]1CCc2cc(Br)ccc21)C(=O)N1CCOCC1 ZINC000164858828 551627653 /nfs/dbraw/zinc/62/76/53/551627653.db2.gz BYFCNOAINBULPL-DLBZAZTESA-N 1 0 381.314 2.909 20 0 GFADRO CC[C@H]([NH2+][C@@H](C)c1ccc(OC)c(Br)c1)C(=O)N1CCOCC1 ZINC000165016969 551628323 /nfs/dbraw/zinc/62/83/23/551628323.db2.gz AFXRYQRPFWMMBQ-WFASDCNBSA-N 1 0 385.302 2.746 20 0 GFADRO CO[C@H]1CCN(CCOc2ccc(Cl)cc2Br)[C@H](C[NH3+])C1 ZINC000167324932 551632767 /nfs/dbraw/zinc/63/27/67/551632767.db2.gz GNXYSIHDHPGGNH-STQMWFEESA-N 1 0 377.710 2.919 20 0 GFADRO C[NH+](C)C1CCN(Cc2csc(-c3ccc(S(C)(=O)=O)cc3)n2)CC1 ZINC000171064528 551645765 /nfs/dbraw/zinc/64/57/65/551645765.db2.gz ZDYYPQXMOSHCGX-UHFFFAOYSA-N 1 0 379.551 2.740 20 0 GFADRO CC(C)(O)C[NH+]1CCN(CC(=O)Nc2cc(Cl)c(Cl)cc2Cl)CC1 ZINC000171154407 551648566 /nfs/dbraw/zinc/64/85/66/551648566.db2.gz QYNHNWLSTWOLDV-UHFFFAOYSA-N 1 0 394.730 2.974 20 0 GFADRO Cc1c(Br)cccc1NC(=O)C(=O)NCC[N@H+]1CCC[C@H](C)C1 ZINC000171224834 551650107 /nfs/dbraw/zinc/65/01/07/551650107.db2.gz XCJIQPYXWOFUQH-LBPRGKRZSA-N 1 0 382.302 2.544 20 0 GFADRO O=C(CC[N@@H+]1CCC[C@H](C2OCCO2)C1)Nc1ccc(Br)cc1 ZINC000171668786 551660756 /nfs/dbraw/zinc/66/07/56/551660756.db2.gz OYEHALDPXQDTEX-ZDUSSCGKSA-N 1 0 383.286 2.863 20 0 GFADRO O=C(CC[NH+]1CCC(C2OCCO2)CC1)Nc1ccccc1Br ZINC000171668282 551660761 /nfs/dbraw/zinc/66/07/61/551660761.db2.gz LWKACZXISGZGMB-UHFFFAOYSA-N 1 0 383.286 2.863 20 0 GFADRO O=S(=O)(C(F)F)N1CCC(C[NH2+]Cc2ccccc2Br)CC1 ZINC000171841872 551665026 /nfs/dbraw/zinc/66/50/26/551665026.db2.gz KLUPWINYJODOBK-UHFFFAOYSA-N 1 0 397.285 2.803 20 0 GFADRO C[N@@H+]1CCC[C@@H]1CNC(=O)CCC[S@@](=O)c1ccc(Br)cc1 ZINC000171866696 551665512 /nfs/dbraw/zinc/66/55/12/551665512.db2.gz ANZURWLIWUBGEY-JLCFBVMHSA-N 1 0 387.343 2.547 20 0 GFADRO CCOc1cc(C[NH2+]C[C@](C)(O)CCOC)cc(Br)c1OC ZINC000172072423 551670184 /nfs/dbraw/zinc/67/01/84/551670184.db2.gz NTIRXURCVIZGGE-MRXNPFEDSA-N 1 0 376.291 2.734 20 0 GFADRO C[C@H](Cc1ccc(Br)cc1)NC(=O)NCC1([NH+](C)C)CCOCC1 ZINC000172223381 551673836 /nfs/dbraw/zinc/67/38/36/551673836.db2.gz TXYMSBUFCVUSEW-CQSZACIVSA-N 1 0 398.345 2.790 20 0 GFADRO O=C(c1cc(F)ccc1Br)N1CC[NH+](CC2CCOCC2)CC1 ZINC000172464461 551679737 /nfs/dbraw/zinc/67/97/37/551679737.db2.gz BVMXNJWDZRNHTM-UHFFFAOYSA-N 1 0 385.277 2.773 20 0 GFADRO CN1CCC([NH+]2CCC(NC(=O)[C@@H]3SCCc4sccc43)CC2)CC1 ZINC000172929820 551690286 /nfs/dbraw/zinc/69/02/86/551690286.db2.gz UPMVVZVDXFTLDW-GOSISDBHSA-N 1 0 379.595 2.753 20 0 GFADRO C[C@@H](NC(=O)CCNC(=O)c1ccc(Br)cc1)C(C)(C)C[NH+](C)C ZINC000173053376 551693847 /nfs/dbraw/zinc/69/38/47/551693847.db2.gz LHOKSAWBHLGEDV-CYBMUJFWSA-N 1 0 398.345 2.662 20 0 GFADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H](C)c1ccc(Br)s1 ZINC000173074055 551694171 /nfs/dbraw/zinc/69/41/71/551694171.db2.gz RMMSHENCUAGFJC-NEPJUHHUSA-N 1 0 375.332 2.841 20 0 GFADRO Cc1cc(F)c(NC(=O)N[C@H](C[NH3+])C2CC2)c(I)c1 ZINC000415384369 563771861 /nfs/dbraw/zinc/77/18/61/563771861.db2.gz CUJXXPCWMBRWIH-LLVKDONJSA-N 1 0 377.201 2.598 20 0 GFADRO CCCC[C@@H](C[NH3+])NC(=O)C(=O)Nc1ccc(Br)cc1Cl ZINC000415502377 563779716 /nfs/dbraw/zinc/77/97/16/563779716.db2.gz QIRBSGLPDXZXRB-JTQLQIEISA-N 1 0 376.682 2.675 20 0 GFADRO CC[NH+]1CCN([C@H]2CCN(C(=O)c3cc(Br)cn3C(C)C)C2)CC1 ZINC000173109412 552078233 /nfs/dbraw/zinc/07/82/33/552078233.db2.gz WCBPJZIYGIOCPF-INIZCTEOSA-N 1 0 397.361 2.684 20 0 GFADRO C[C@H](CNC(=O)NCCc1ccc(Cl)cc1Cl)C[NH+]1CCN(C)CC1 ZINC000173309983 552082620 /nfs/dbraw/zinc/08/26/20/552082620.db2.gz BQSDQPIQEMPZLI-CQSZACIVSA-N 1 0 387.355 2.719 20 0 GFADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(Br)cc2C)C1 ZINC000173643290 552089880 /nfs/dbraw/zinc/08/98/80/552089880.db2.gz HUKHWYWOMPUXTK-AWEZNQCLSA-N 1 0 396.329 2.886 20 0 GFADRO CCC[N@H+](C)C[C@H]1CCN(S(=O)(=O)c2cc(Br)ccc2F)C1 ZINC000173953211 552095639 /nfs/dbraw/zinc/09/56/39/552095639.db2.gz GIWZQNQJSRUQEE-GFCCVEGCSA-N 1 0 393.322 2.941 20 0 GFADRO COCCOC[C@@H]1CC[N@H+](Cc2nc(-c3cccc(Br)c3)no2)C1 ZINC000174110097 552098923 /nfs/dbraw/zinc/09/89/23/552098923.db2.gz GTZUXOQASODAAK-CYBMUJFWSA-N 1 0 396.285 2.984 20 0 GFADRO O=C(CCc1ccccc1Br)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000174171493 552101360 /nfs/dbraw/zinc/10/13/60/552101360.db2.gz QHOJAFRIZFSCQH-HNNXBMFYSA-N 1 0 381.314 2.562 20 0 GFADRO C[N@H+]1[C@@H]2CC[C@H]1CCN(C(=O)c1ccn(-c3cccc(Br)c3)n1)C2 ZINC000174689386 552108435 /nfs/dbraw/zinc/10/84/35/552108435.db2.gz XMENZVYKWSSWRQ-GOEBONIOSA-N 1 0 389.297 2.944 20 0 GFADRO Cc1c(C(=O)N2CC[NH2+]C(C)(C)C2)cnn1-c1cccc(Br)c1 ZINC000175442689 552121630 /nfs/dbraw/zinc/12/16/30/552121630.db2.gz RYFYWVQSLZZXDS-UHFFFAOYSA-N 1 0 377.286 2.767 20 0 GFADRO C[C@@H](CNC(=O)c1cc(=O)[nH]c2c(Br)cccc12)C[NH+]1CCCC1 ZINC000175674983 552126910 /nfs/dbraw/zinc/12/69/10/552126910.db2.gz OSTKWCZIXFSIDV-LBPRGKRZSA-N 1 0 392.297 2.752 20 0 GFADRO COc1ccc(Br)cc1CNC(=O)[C@@H]([NH2+]C1CCOCC1)C(C)C ZINC000175804616 552129609 /nfs/dbraw/zinc/12/96/09/552129609.db2.gz OOWMQQPLFVEDAN-KRWDZBQOSA-N 1 0 399.329 2.867 20 0 GFADRO Cc1ccc(-n2nc(Br)cc2C(=O)N2CC[C@@H](C[NH+](C)C)C2)cc1 ZINC000176382279 552139913 /nfs/dbraw/zinc/13/99/13/552139913.db2.gz HNCAUBWNXDXFQR-AWEZNQCLSA-N 1 0 391.313 2.967 20 0 GFADRO C[C@@H]1C[NH+](CCCCNC(=O)Cc2ccc(Br)cc2)C[C@@H](C)O1 ZINC000176690219 552143992 /nfs/dbraw/zinc/14/39/92/552143992.db2.gz GMJQPQDOMWTDHG-HUUCEWRRSA-N 1 0 383.330 2.997 20 0 GFADRO CC(C)OCC[NH+]1CCC(NC(=O)Cc2ccc(Br)cc2)CC1 ZINC000176693290 552144123 /nfs/dbraw/zinc/14/41/23/552144123.db2.gz VGOVJAZGEMPIKU-UHFFFAOYSA-N 1 0 383.330 2.997 20 0 GFADRO CN1CCN(S(=O)(=O)c2cc(Br)ccc2F)c2c[nH+]ccc21 ZINC000176977234 552148263 /nfs/dbraw/zinc/14/82/63/552148263.db2.gz ACFFOWSSPIOVGG-UHFFFAOYSA-N 1 0 386.246 2.628 20 0 GFADRO C[NH+](C)C1CCN(CCNC(=O)[C@@H]2C[C@H]2c2cccc(Br)c2)CC1 ZINC000177151296 552150618 /nfs/dbraw/zinc/15/06/18/552150618.db2.gz MJYQADTXYUPMDR-ZWKOTPCHSA-N 1 0 394.357 2.695 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)c2cc(=O)[nH]c3c(Br)cccc23)C[N@@H+]1C1CC1 ZINC000177223390 552151565 /nfs/dbraw/zinc/15/15/65/552151565.db2.gz DIOCTZMSPFYHFX-MNOVXSKESA-N 1 0 390.281 2.646 20 0 GFADRO CC[N@H+](C)C[C@H]1CCN(C(=O)NCCOc2cccc(Br)c2)C1 ZINC000177861705 552159880 /nfs/dbraw/zinc/15/98/80/552159880.db2.gz CUJAVPPCHZYQHE-CQSZACIVSA-N 1 0 384.318 2.811 20 0 GFADRO Cn1cc(Br)cc(NC(=O)N2CC[NH+](CCC(C)(C)C)CC2)c1=O ZINC000177981076 552162079 /nfs/dbraw/zinc/16/20/79/552162079.db2.gz ATUVGZCFCDUAQY-UHFFFAOYSA-N 1 0 399.333 2.734 20 0 GFADRO O=C(c1cc(-c2ccc(Cl)s2)on1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000178108164 552164449 /nfs/dbraw/zinc/16/44/49/552164449.db2.gz POBZWRLYTZCMNZ-LBPRGKRZSA-N 1 0 381.885 2.851 20 0 GFADRO Cc1nn(C)cc1[C@H](C)[NH2+]CCCNC(=O)c1cccc(Br)c1 ZINC000178359396 552169663 /nfs/dbraw/zinc/16/96/63/552169663.db2.gz PQRWADMQBDHWDI-LBPRGKRZSA-N 1 0 379.302 2.962 20 0 GFADRO COCC[NH2+]CC(=O)Nc1ncc(Cc2ccc(Br)cc2)s1 ZINC000178359269 552169717 /nfs/dbraw/zinc/16/97/17/552169717.db2.gz SZDWIZWAKLEQMN-UHFFFAOYSA-N 1 0 384.299 2.671 20 0 GFADRO O=C(CCCCc1ccc(I)cc1)NC[C@H]1CCC[NH2+]1 ZINC000178780695 552174800 /nfs/dbraw/zinc/17/48/00/552174800.db2.gz MQUWSPPVGOLMMX-OAHLLOKOSA-N 1 0 386.277 2.872 20 0 GFADRO O=C(NC[C@@H]1CCC[NH2+]1)c1nn(-c2cccc(Br)c2)c2c1CCC2 ZINC000178792099 552175331 /nfs/dbraw/zinc/17/53/31/552175331.db2.gz MCMHRLTZFPYSST-ZDUSSCGKSA-N 1 0 389.297 2.605 20 0 GFADRO COC(=O)c1ccc(Cl)cc1S(=O)(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000178814264 552176092 /nfs/dbraw/zinc/17/60/92/552176092.db2.gz IPEGSCLFRURKRP-CQSZACIVSA-N 1 0 388.917 2.622 20 0 GFADRO C[C@H]([NH3+])C1CCN(C(=O)[C@@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)CC1 ZINC000178842176 552177130 /nfs/dbraw/zinc/17/71/30/552177130.db2.gz WQPSHTJXHPTSEU-FZMZJTMJSA-N 1 0 384.307 2.932 20 0 GFADRO CC(C)C[C@H]([NH3+])C(=O)N[C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000178842944 552177222 /nfs/dbraw/zinc/17/72/22/552177222.db2.gz FCTWWWIZSJOBPH-AAEUAGOBSA-N 1 0 378.826 2.822 20 0 GFADRO C[C@H]([NH3+])C1CCN(C(=O)c2nn(-c3ccc(F)cc3)cc2Br)CC1 ZINC000178852945 552177261 /nfs/dbraw/zinc/17/72/61/552177261.db2.gz UQNMUNVIBILOMI-NSHDSACASA-N 1 0 395.276 2.973 20 0 GFADRO C[NH+](C)Cc1ccccc1CNC(=O)c1cncc(I)c1 ZINC000179125354 552184891 /nfs/dbraw/zinc/18/48/91/552184891.db2.gz VRGCQCCGGAZVKH-UHFFFAOYSA-N 1 0 395.244 2.678 20 0 GFADRO C[N@H+](CC(=O)NCc1ccc(COCC(F)(F)F)cc1)[C@H]1CCSC1 ZINC000179130777 552184970 /nfs/dbraw/zinc/18/49/70/552184970.db2.gz KCBSBGXRYQNJPC-HNNXBMFYSA-N 1 0 376.444 2.819 20 0 GFADRO C[NH2+]C1CCN(C(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CCCC2)CC1 ZINC000179134412 552185081 /nfs/dbraw/zinc/18/50/81/552185081.db2.gz YEXBFYALLXLDNO-UHFFFAOYSA-N 1 0 384.929 2.637 20 0 GFADRO O=C(NCc1ccc(Cl)s1)NC[C@H]1C[C@H](O)C[N@H+]1Cc1ccccc1 ZINC000179173619 552186055 /nfs/dbraw/zinc/18/60/55/552186055.db2.gz XVIVPQQQXTWFTD-CABCVRRESA-N 1 0 379.913 2.836 20 0 GFADRO CC(C)[C@H](C[NH2+][C@H](C)c1ncc(Br)s1)N1CCN(C)CC1 ZINC000179200795 552186874 /nfs/dbraw/zinc/18/68/74/552186874.db2.gz DRLRQCTVJSASGF-OLZOCXBDSA-N 1 0 375.380 2.828 20 0 GFADRO C[C@H](C[NH3+])N(C)C(=O)c1nn(-c2ccc(Br)cc2)c2c1CCCC2 ZINC000179187799 552187009 /nfs/dbraw/zinc/18/70/09/552187009.db2.gz FSEXKIVFGRRTLI-GFCCVEGCSA-N 1 0 391.313 2.933 20 0 GFADRO NC(=O)[C@H](NCCOc1ccc(F)cc1F)c1cccc(Br)c1 ZINC000179222315 552187358 /nfs/dbraw/zinc/18/73/58/552187358.db2.gz DJEHIKBOHAXAAH-OAHLLOKOSA-N 1 0 385.208 2.922 20 0 GFADRO Cc1cc(C(=O)N2CC[NH+](CC3CCOCC3)CC2)ccc1Br ZINC000179339972 552190770 /nfs/dbraw/zinc/19/07/70/552190770.db2.gz QTEJNFCGRABNJM-UHFFFAOYSA-N 1 0 381.314 2.942 20 0 GFADRO C[N@H+](CCCO)C1CCN(C(=O)Cc2csc(-c3cccs3)n2)CC1 ZINC000179757850 552201894 /nfs/dbraw/zinc/20/18/94/552201894.db2.gz FYGVQPTXEHJDPJ-UHFFFAOYSA-N 1 0 379.551 2.719 20 0 GFADRO C[N@H+](CCCO)C1CCN(C(=O)c2cc3c(cccc3Br)[nH]2)CC1 ZINC000179764305 552202432 /nfs/dbraw/zinc/20/24/32/552202432.db2.gz JFCPQVXTRHZRJV-UHFFFAOYSA-N 1 0 394.313 2.849 20 0 GFADRO O=C(C[C@H](O)c1cc(Cl)cc(Cl)c1)N1CCC[C@H]1CN1CCOCC1 ZINC000180065148 552211836 /nfs/dbraw/zinc/21/18/36/552211836.db2.gz LBDGUEFZPVUIIF-IRXDYDNUSA-N 1 0 387.307 2.740 20 0 GFADRO CS(=O)(=O)N1CCC[C@@H]1C[NH2+][C@H](c1ccc(Br)cc1)C1CC1 ZINC000180203297 552217187 /nfs/dbraw/zinc/21/71/87/552217187.db2.gz WXQGXDUEFNFYPR-CVEARBPZSA-N 1 0 387.343 2.914 20 0 GFADRO O=C(c1cc(Br)c[nH]1)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000180310477 552221992 /nfs/dbraw/zinc/22/19/92/552221992.db2.gz FTIIOUPAQWJMIV-UHFFFAOYSA-N 1 0 384.318 2.742 20 0 GFADRO CC(C)(COc1ncccc1Br)[NH2+]CC(=O)NCc1cccs1 ZINC000180394091 552225177 /nfs/dbraw/zinc/22/51/77/552225177.db2.gz YHGVTAKBMBFJJE-UHFFFAOYSA-N 1 0 398.326 2.969 20 0 GFADRO CC(C)(COc1ncccc1Br)[NH2+]CC(=O)Nc1nccs1 ZINC000180395421 552225191 /nfs/dbraw/zinc/22/51/91/552225191.db2.gz WKUIFANYIBSQGN-UHFFFAOYSA-N 1 0 385.287 2.686 20 0 GFADRO CN1CC[NH+]([C@H]2CCCCN(C(=O)NCCc3ccc(Cl)s3)C2)CC1 ZINC000180408811 552225870 /nfs/dbraw/zinc/22/58/70/552225870.db2.gz ZEMOZYQPUQFQPA-HNNXBMFYSA-N 1 0 384.977 2.756 20 0 GFADRO Cc1cccc(S(=O)(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)c1Cl ZINC000180450133 552226171 /nfs/dbraw/zinc/22/61/71/552226171.db2.gz YJYCGCKJGUXOPQ-JKSUJKDBSA-N 1 0 386.945 2.695 20 0 GFADRO C[C@H]([NH2+]CCCN1CCOCC1)c1cc2c(cc1Br)OCCO2 ZINC000180478111 552227638 /nfs/dbraw/zinc/22/76/38/552227638.db2.gz YMONLTQSBPUALC-ZDUSSCGKSA-N 1 0 385.302 2.593 20 0 GFADRO CC(=O)N1CC[C@@H](C[N@@H+](C)Cc2cc(Br)c3c(c2)OCCCO3)C1 ZINC000180823023 552236785 /nfs/dbraw/zinc/23/67/85/552236785.db2.gz VSBJOUUJJCVHMR-AWEZNQCLSA-N 1 0 397.313 2.911 20 0 GFADRO CC(C)N1CC[C@H]([NH2+][C@H](C)CC(=O)Nc2cccc(Br)c2)C1=O ZINC000180905609 552239589 /nfs/dbraw/zinc/23/95/89/552239589.db2.gz IQLMQKLNDIMGBO-DOMZBBRYSA-N 1 0 382.302 2.765 20 0 GFADRO COc1ccc(C(=O)N2CC[C@@H]3CC[C@H](C2)[N@@H+]3C(C)C)nc1Br ZINC000181235673 552250793 /nfs/dbraw/zinc/25/07/93/552250793.db2.gz BRDKVGMPXFHEPK-QWHCGFSZSA-N 1 0 382.302 2.940 20 0 GFADRO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)C(=O)Nc1cccnc1Cl ZINC000181356364 552254075 /nfs/dbraw/zinc/25/40/75/552254075.db2.gz TUJFICXCZJMASK-CYBMUJFWSA-N 1 0 378.885 2.688 20 0 GFADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)Nc2ccc(Br)nc2C)CC1 ZINC000181342855 552254202 /nfs/dbraw/zinc/25/42/02/552254202.db2.gz IZHMAEJPGHIPGL-ZDUSSCGKSA-N 1 0 398.349 2.548 20 0 GFADRO C[C@H]([NH2+]C[C@H](O)CS(=O)(=O)c1cccs1)c1cccc(OC(F)F)c1 ZINC000181638132 552263406 /nfs/dbraw/zinc/26/34/06/552263406.db2.gz RSTXQVSTYSOCAQ-AAEUAGOBSA-N 1 0 391.461 2.835 20 0 GFADRO O=S(=O)(C[C@@H](O)C[NH2+][C@@H]1CCSc2ccc(F)cc21)c1cccs1 ZINC000181641741 552263411 /nfs/dbraw/zinc/26/34/11/552263411.db2.gz CELLTRQFYSNRMS-GXTWGEPZSA-N 1 0 387.523 2.849 20 0 GFADRO C[C@@H]([NH2+]C[C@@H](O)CS(=O)(=O)c1cccs1)c1ccc(OC(F)F)cc1 ZINC000181635248 552263687 /nfs/dbraw/zinc/26/36/87/552263687.db2.gz UPVHBWCLZFUMRC-DGCLKSJQSA-N 1 0 391.461 2.835 20 0 GFADRO CCc1nc2c(s1)[C@@H]([NH2+]C[C@@H](O)CS(=O)(=O)c1cccs1)CCC2 ZINC000181642473 552264388 /nfs/dbraw/zinc/26/43/88/552264388.db2.gz VTAOYVFTZPLRDN-NEPJUHHUSA-N 1 0 386.564 2.569 20 0 GFADRO Cc1ccc(NC(=O)CN[C@H](CS(C)(=O)=O)c2ccccc2)cc1Cl ZINC000181780136 552267586 /nfs/dbraw/zinc/26/75/86/552267586.db2.gz HEGTZEPYUPCJDR-QGZVFWFLSA-N 1 0 380.897 2.962 20 0 GFADRO Cc1ccc(NC(=O)CN[C@@H](CS(C)(=O)=O)c2ccccc2)c(Cl)c1 ZINC000181769205 552267740 /nfs/dbraw/zinc/26/77/40/552267740.db2.gz ATCFLXYTDXZRGD-KRWDZBQOSA-N 1 0 380.897 2.962 20 0 GFADRO COc1cc(Br)ccc1CCC[NH2+][C@H](CC(N)=O)C1CCOCC1 ZINC000181963349 552271472 /nfs/dbraw/zinc/27/14/72/552271472.db2.gz CKBPWKMCORPLHT-MRXNPFEDSA-N 1 0 399.329 2.651 20 0 GFADRO O[C@@H](COc1ccccc1C(F)(F)F)C[N@@H+]1CCS[C@H]2COCC[C@@H]21 ZINC000182036462 552273971 /nfs/dbraw/zinc/27/39/71/552273971.db2.gz LHHRBQRHWNKTSL-INWMFGNUSA-N 1 0 377.428 2.651 20 0 GFADRO C[C@@H](CCNC(=O)C(=O)Nc1cccc(Br)c1)[NH+]1CCCCC1 ZINC000182144765 552276437 /nfs/dbraw/zinc/27/64/37/552276437.db2.gz XQEJWSLFLIQRRF-ZDUSSCGKSA-N 1 0 382.302 2.768 20 0 GFADRO CN(C)C(=O)CC1CC[NH+](C[C@@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000182175677 552277893 /nfs/dbraw/zinc/27/78/93/552277893.db2.gz CUIGGWHUSJQXNB-OAHLLOKOSA-N 1 0 389.323 2.923 20 0 GFADRO CCOC(=O)COc1c(Br)cc(C)cc1C[NH2+]CCn1ccnc1 ZINC000182244844 552279392 /nfs/dbraw/zinc/27/93/92/552279392.db2.gz AHTKEXOUQZMUSR-UHFFFAOYSA-N 1 0 396.285 2.686 20 0 GFADRO CC[C@@H]([NH2+]CCS(=O)(=O)c1cccc(Br)c1)[C@H]1CCCO1 ZINC000182277808 552280340 /nfs/dbraw/zinc/28/03/40/552280340.db2.gz QTLUBRWIGWVAHZ-HUUCEWRRSA-N 1 0 376.316 2.770 20 0 GFADRO COC(=O)c1ccccc1OCC[NH2+][C@H](CO)c1cccc(Br)c1 ZINC000182468221 552284999 /nfs/dbraw/zinc/28/49/99/552284999.db2.gz JDOLBFOUUPOQIL-MRXNPFEDSA-N 1 0 394.265 2.938 20 0 GFADRO C[C@@H](C[S@@](C)=O)NC(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000182533246 552286440 /nfs/dbraw/zinc/28/64/40/552286440.db2.gz XZQJHAHDHDFZRC-HWRSSNJWSA-N 1 0 385.961 2.618 20 0 GFADRO CCO[C@@H](CC[NH+](C)C)CNC(=O)CCc1cc(F)ccc1Br ZINC000182522313 552286556 /nfs/dbraw/zinc/28/65/56/552286556.db2.gz DFQZJDZXEYOLJM-HNNXBMFYSA-N 1 0 389.309 2.994 20 0 GFADRO C[C@@H](CCNC(=O)c1cc(I)c[nH]1)[NH+]1CCCCC1 ZINC000183126073 552300726 /nfs/dbraw/zinc/30/07/26/552300726.db2.gz LTGWPQRWMBDMII-NSHDSACASA-N 1 0 375.254 2.614 20 0 GFADRO C[C@@H](O)[C@H]1CC[N@H+](CCCOc2cccc(I)c2)C1 ZINC000183178888 552301960 /nfs/dbraw/zinc/30/19/60/552301960.db2.gz USNVWPTZQRADRP-OLZOCXBDSA-N 1 0 375.250 2.763 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)NCCNc2cccc(Br)c2)C[N@@H+]1C1CC1 ZINC000183250802 552303910 /nfs/dbraw/zinc/30/39/10/552303910.db2.gz QKGDBWYOYSITBF-IUODEOHRSA-N 1 0 381.318 2.785 20 0 GFADRO COC[C@@H]([NH2+]Cc1nnnn1-c1ccc(Cl)cc1C(F)(F)F)C1CC1 ZINC000183479509 552310554 /nfs/dbraw/zinc/31/05/54/552310554.db2.gz HZZMAKYBQRGSQJ-GFCCVEGCSA-N 1 0 375.782 2.849 20 0 GFADRO CC(C)[N@H+](C)CCNC(=O)c1ncc(Br)cc1Br ZINC000183635979 552315196 /nfs/dbraw/zinc/31/51/96/552315196.db2.gz MYWINKNDKJSBAK-UHFFFAOYSA-N 1 0 379.096 2.677 20 0 GFADRO C[NH+](C)C1(CNC(=O)c2cccc(Br)c2Cl)CCOCC1 ZINC000183788135 552319310 /nfs/dbraw/zinc/31/93/10/552319310.db2.gz WKACPMSFGUGYHH-UHFFFAOYSA-N 1 0 375.694 2.943 20 0 GFADRO O=C(CC[N@@H+]1CCOCC2(CCOCC2)C1)Nc1ccccc1Br ZINC000184073287 552326826 /nfs/dbraw/zinc/32/68/26/552326826.db2.gz ZLWXDIQCCSYCQO-UHFFFAOYSA-N 1 0 397.313 2.907 20 0 GFADRO CN1CC[NH+](CCC(C)(C)NC(=O)Cc2ccc(Br)s2)CC1 ZINC000184214196 552330013 /nfs/dbraw/zinc/33/00/13/552330013.db2.gz SKNBYNUDCONPBA-UHFFFAOYSA-N 1 0 388.375 2.585 20 0 GFADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)CSc1nc2ccccc2s1 ZINC000184289969 552331383 /nfs/dbraw/zinc/33/13/83/552331383.db2.gz FPXFQURIBOOEIO-AWEZNQCLSA-N 1 0 378.567 2.531 20 0 GFADRO COCCC[N@H+](C)CCNC(=O)Nc1nc(-c2ccccc2Cl)ns1 ZINC000184380811 552333908 /nfs/dbraw/zinc/33/39/08/552333908.db2.gz UAZUNOQTUWQNMC-UHFFFAOYSA-N 1 0 383.905 2.948 20 0 GFADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)[C@H](C)Cc1ccc(Br)cc1 ZINC000184368946 552334154 /nfs/dbraw/zinc/33/41/54/552334154.db2.gz VUUXHFXTWHLRJL-HZPDHXFCSA-N 1 0 396.373 2.770 20 0 GFADRO CN(CC[N@H+](C)C1CC1)S(=O)(=O)c1cc(Br)ccc1Cl ZINC000185230305 552357460 /nfs/dbraw/zinc/35/74/60/552357460.db2.gz FOHQVZJAFRJXNO-UHFFFAOYSA-N 1 0 381.723 2.817 20 0 GFADRO Cc1cc(N2CC[C@@H]([NH2+][C@H](C)c3cnn(C)c3)C2=O)ccc1Br ZINC000185276885 552359889 /nfs/dbraw/zinc/35/98/89/552359889.db2.gz SUNXSNLZTZCMEN-MLGOLLRUSA-N 1 0 377.286 2.947 20 0 GFADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)CCOc1ccc(Cl)cc1Cl ZINC000185309011 552360991 /nfs/dbraw/zinc/36/09/91/552360991.db2.gz VVRSMNXUYVTGBI-AWEZNQCLSA-N 1 0 388.339 2.905 20 0 GFADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)c3csc(Br)c3C)C2)CC1 ZINC000185335904 552361204 /nfs/dbraw/zinc/36/12/04/552361204.db2.gz OGIAVFIFVJMTAD-CYBMUJFWSA-N 1 0 386.359 2.671 20 0 GFADRO CN(C[C@@H](O)C(F)(F)F)C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000185810053 552371685 /nfs/dbraw/zinc/37/16/85/552371685.db2.gz KUWPKYLEVDNMHK-TZMCWYRMSA-N 1 0 379.448 2.525 20 0 GFADRO CC[C@@H](Cc1ccccc1Br)[N@H+](C)CC(=O)NC1CCOCC1 ZINC000185924934 552374601 /nfs/dbraw/zinc/37/46/01/552374601.db2.gz YPMDFMPYVWAZKR-INIZCTEOSA-N 1 0 383.330 2.997 20 0 GFADRO O[C@@H](COc1cc(Cl)ccc1Cl)C[NH+]1CCC(Cn2cncn2)CC1 ZINC000186226858 552382022 /nfs/dbraw/zinc/38/20/22/552382022.db2.gz LLTCXVOWVWKMFW-OAHLLOKOSA-N 1 0 385.295 2.737 20 0 GFADRO O=C(c1cc(=O)[nH]c2c(Br)cccc12)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000186515659 552389736 /nfs/dbraw/zinc/38/97/36/552389736.db2.gz PTJKYZZXYDMHDQ-NSHDSACASA-N 1 0 390.281 2.647 20 0 GFADRO CN(CC[N@H+](C)C1CC1)C(=O)CSc1nncn1-c1cccc(Cl)c1 ZINC000186706587 552395858 /nfs/dbraw/zinc/39/58/58/552395858.db2.gz LJRZVSRQOUMCLG-UHFFFAOYSA-N 1 0 379.917 2.565 20 0 GFADRO CS(=O)(=O)[C@H]1CCCC[C@H]1[NH2+]CCc1ccc(OCC(F)(F)F)nc1 ZINC000186745908 552396685 /nfs/dbraw/zinc/39/66/85/552396685.db2.gz SJIOKFJESCKZDM-KGLIPLIRSA-N 1 0 380.432 2.511 20 0 GFADRO CN(CC[N@H+](C)C1CC1)C(=O)CNC(=O)c1sc2ccccc2c1Cl ZINC000186761630 552397081 /nfs/dbraw/zinc/39/70/81/552397081.db2.gz QREZRVNPYULUGN-UHFFFAOYSA-N 1 0 379.913 2.837 20 0 GFADRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)CCc1ccc(Br)cc1 ZINC000186884838 552400588 /nfs/dbraw/zinc/40/05/88/552400588.db2.gz IXBRWFQQAQEBOF-CQSZACIVSA-N 1 0 383.330 2.685 20 0 GFADRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)COc1ccc(Cl)cc1Cl ZINC000186901157 552401272 /nfs/dbraw/zinc/40/12/72/552401272.db2.gz CKFHWRBGNCCKLP-GFCCVEGCSA-N 1 0 375.296 2.676 20 0 GFADRO Cc1cc(Br)ccc1CC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C ZINC000186944344 552402688 /nfs/dbraw/zinc/40/26/88/552402688.db2.gz ZKOYWKCTXOGXPP-CQSZACIVSA-N 1 0 383.330 2.604 20 0 GFADRO COc1c(Br)cccc1C[NH2+][C@@H]1CCCN(c2cnn(C)c2)C1 ZINC000187265951 552410985 /nfs/dbraw/zinc/41/09/85/552410985.db2.gz JDGQEHHVLMRCRJ-CQSZACIVSA-N 1 0 379.302 2.950 20 0 GFADRO Cc1cc(Cc2cnc(NC(=O)[C@H]3C[NH2+]CCO3)s2)ccc1Br ZINC000187437701 552415583 /nfs/dbraw/zinc/41/55/83/552415583.db2.gz YAJAMEPLFCNBNY-CQSZACIVSA-N 1 0 396.310 2.732 20 0 GFADRO C[C@@H](Cn1cc(Br)cn1)[NH2+][C@H](CC(N)=O)c1cccc(Cl)c1 ZINC000187517361 552417872 /nfs/dbraw/zinc/41/78/72/552417872.db2.gz MZIQFPOJEJVGLV-IINYFYTJSA-N 1 0 385.693 2.894 20 0 GFADRO Cc1ccc(Br)cc1CNC(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000187564604 552418876 /nfs/dbraw/zinc/41/88/76/552418876.db2.gz MJXVUQLZLBINAT-CQSZACIVSA-N 1 0 398.345 2.744 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N(C)CC[N@H+](C)C2CC2)cc1Br ZINC000187721607 552422754 /nfs/dbraw/zinc/42/27/54/552422754.db2.gz FAQYGSFEFOVATP-UHFFFAOYSA-N 1 0 382.302 2.557 20 0 GFADRO CCO[C@@H]1C[C@@]([NH3+])(C(=O)NC[C@H](O)c2cc(Cl)cc(Cl)c2)C1(C)C ZINC000187811212 552424917 /nfs/dbraw/zinc/42/49/17/552424917.db2.gz LSDNQKZGBNKVPU-JJRVBVJISA-N 1 0 375.296 2.676 20 0 GFADRO O=C(NCCC[N@@H+]1CCc2ccccc2C1)C(=O)Nc1ccsc1Cl ZINC000187885744 552427179 /nfs/dbraw/zinc/42/71/79/552427179.db2.gz JSGLXJJRFDIMBL-UHFFFAOYSA-N 1 0 377.897 2.905 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)NCCC[NH+]2CCCC2)cc1Br ZINC000188052749 552432745 /nfs/dbraw/zinc/43/27/45/552432745.db2.gz NAYJNNUAOLOBEJ-UHFFFAOYSA-N 1 0 382.302 2.607 20 0 GFADRO CN(C(=O)c1nc(Br)ccc1Br)[C@@H]1CCC[N@H+](C)C1 ZINC000188082410 552434038 /nfs/dbraw/zinc/43/40/38/552434038.db2.gz NYWIVCOHCOEXGB-SECBINFHSA-N 1 0 391.107 2.773 20 0 GFADRO Cc1cc(Br)cc(NC(=O)C(=O)NC[C@@H](C(C)C)[NH+]2CCCC2)c1 ZINC000188074002 552434113 /nfs/dbraw/zinc/43/41/13/552434113.db2.gz VEIVYXVXQYTHBL-INIZCTEOSA-N 1 0 396.329 2.933 20 0 GFADRO Cc1cc(Br)cc(NC(=O)C(=O)N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)c1 ZINC000188078145 552434239 /nfs/dbraw/zinc/43/42/39/552434239.db2.gz GIACZQHAMPCGNM-GXTWGEPZSA-N 1 0 396.329 2.933 20 0 GFADRO CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)Nc2cc(C)cc(Br)c2)C1 ZINC000188111943 552435440 /nfs/dbraw/zinc/43/54/40/552435440.db2.gz LSSYODRYCBVTKT-HNNXBMFYSA-N 1 0 382.302 2.639 20 0 GFADRO C[NH+](C)CCOc1cccc(CNC(=O)C(=O)Nc2ccsc2Cl)c1 ZINC000188183056 552437925 /nfs/dbraw/zinc/43/79/25/552437925.db2.gz BAHSVWNPXCHIRA-UHFFFAOYSA-N 1 0 381.885 2.597 20 0 GFADRO CCN(CCC[NH+]1CCCC1)S(=O)(=O)c1cc(Cl)ccc1C(=O)OC ZINC000188256528 552440862 /nfs/dbraw/zinc/44/08/62/552440862.db2.gz INPPFGBMMMILOR-UHFFFAOYSA-N 1 0 388.917 2.623 20 0 GFADRO C[C@H]1CN(C(=O)CCc2ccc(Br)cc2)CC[N@@H+]1CC(C)(C)O ZINC000188619886 552450067 /nfs/dbraw/zinc/45/00/67/552450067.db2.gz GNTCUNIQXOPRPR-AWEZNQCLSA-N 1 0 383.330 2.685 20 0 GFADRO COC(=O)C1(C[NH2+]Cc2cn(-c3ccc(Br)cc3)nc2C)CC1 ZINC000188671344 552451289 /nfs/dbraw/zinc/45/12/89/552451289.db2.gz OJZGXEDONVAARA-UHFFFAOYSA-N 1 0 378.270 2.986 20 0 GFADRO O=C(Nc1ccc(N2CCSCC2)c(Cl)c1)c1n[nH]c2c1C[NH2+]CC2 ZINC000188749527 552453779 /nfs/dbraw/zinc/45/37/79/552453779.db2.gz GUTOHAKZPRMFTA-UHFFFAOYSA-N 1 0 377.901 2.514 20 0 GFADRO CC(C)(C)[NH2+]CCNC(=O)C(=O)Nc1cccnc1-c1ccc(Cl)s1 ZINC000188779265 552455361 /nfs/dbraw/zinc/45/53/61/552455361.db2.gz UIGDUJAMPMMTOG-UHFFFAOYSA-N 1 0 380.901 2.906 20 0 GFADRO O=C([C@H]1CCN(c2cc(Cl)ccc2Cl)C1=O)N1CC[NH+]2CCC1CC2 ZINC000188843741 552456355 /nfs/dbraw/zinc/45/63/55/552456355.db2.gz SEAQLYJWQCRSGZ-CQSZACIVSA-N 1 0 382.291 2.653 20 0 GFADRO CN(CC1([NH+](C)C)CCC1)S(=O)(=O)c1cc(Br)c(F)cc1F ZINC000189133747 552464146 /nfs/dbraw/zinc/46/41/46/552464146.db2.gz GPODZCFRJJDPCB-UHFFFAOYSA-N 1 0 397.285 2.832 20 0 GFADRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1Cc1nc2cc(Br)ccc2[nH]1 ZINC000189446258 552472066 /nfs/dbraw/zinc/47/20/66/552472066.db2.gz PRXZRDJBQKWNLR-GFCCVEGCSA-N 1 0 381.318 2.602 20 0 GFADRO Cc1ccc(CC(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)cc1Br ZINC000189685717 552477762 /nfs/dbraw/zinc/47/77/62/552477762.db2.gz HLOKKWCCMBVJIM-GJZGRUSLSA-N 1 0 383.330 2.916 20 0 GFADRO CC(C)C[NH+]1CCC(NC(=O)Nc2ccc(Cl)c(S(C)(=O)=O)c2)CC1 ZINC000189880099 552481688 /nfs/dbraw/zinc/48/16/88/552481688.db2.gz SMLHUERFLLEOEC-UHFFFAOYSA-N 1 0 387.933 2.985 20 0 GFADRO CS(=O)(=O)c1cc(NC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)ccc1Cl ZINC000189878288 552481910 /nfs/dbraw/zinc/48/19/10/552481910.db2.gz SPTUFBLUPWVLRX-CYBMUJFWSA-N 1 0 385.917 2.693 20 0 GFADRO CCO[C@H]1C[C@@](CO)([NH2+]CC(=O)Nc2ccc(C)cc2Br)C1(C)C ZINC000190019572 552485707 /nfs/dbraw/zinc/48/57/07/552485707.db2.gz HCINIYCGJMLZNQ-YJBOKZPZSA-N 1 0 399.329 2.852 20 0 GFADRO Cc1cc(NC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)cc(C)c1Br ZINC000190572379 552501804 /nfs/dbraw/zinc/50/18/04/552501804.db2.gz MZEZFFYEKVSUHL-CABCVRRESA-N 1 0 394.313 2.700 20 0 GFADRO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000190616381 552503349 /nfs/dbraw/zinc/50/33/49/552503349.db2.gz VIHOCNLHRZRXQY-OLZOCXBDSA-N 1 0 390.933 2.515 20 0 GFADRO CCS(=O)(=O)N1CC(C[NH2+][C@H](C)c2cc(Br)ccc2F)C1 ZINC000190681630 552505974 /nfs/dbraw/zinc/50/59/74/552505974.db2.gz NZOPWCYCTKNYOU-SNVBAGLBSA-N 1 0 379.295 2.520 20 0 GFADRO CCS(=O)(=O)N1CC(C[NH2+][C@H](C)c2ccc(F)c(Br)c2)C1 ZINC000190693352 552506280 /nfs/dbraw/zinc/50/62/80/552506280.db2.gz FKDSYYOODFGIRI-SNVBAGLBSA-N 1 0 379.295 2.520 20 0 GFADRO CC(C)[NH+]1CCC(NC(=O)Cc2ccc(I)cc2)CC1 ZINC000190864188 552511510 /nfs/dbraw/zinc/51/15/10/552511510.db2.gz AQTMHVLPBDYNSZ-UHFFFAOYSA-N 1 0 386.277 2.823 20 0 GFADRO Cc1nc2n(n1)C[C@H]([NH2+][C@H]1CCN(c3ccc(Cl)cc3Cl)C1=O)CC2 ZINC000190966102 552515058 /nfs/dbraw/zinc/51/50/58/552515058.db2.gz MDKORDYXZMZPMM-OCCSQVGLSA-N 1 0 380.279 2.603 20 0 GFADRO CCO[C@H](C)C(=O)Nc1ccc(CN2CC[NH+](C)CC2)c(Br)c1 ZINC000191083587 552517881 /nfs/dbraw/zinc/51/78/81/552517881.db2.gz LSMQDHMGXXOIBQ-CYBMUJFWSA-N 1 0 384.318 2.560 20 0 GFADRO CCS(=O)(=O)CCCCC[NH2+][C@H](CO)c1cccc(Br)c1 ZINC000191077922 552518239 /nfs/dbraw/zinc/51/82/39/552518239.db2.gz CZYLZMLYJIYCKG-OAHLLOKOSA-N 1 0 378.332 2.677 20 0 GFADRO CC(=O)NCCC[N@@H+](C)Cc1cccc(Br)c1OCC(C)(C)O ZINC000191351912 552526096 /nfs/dbraw/zinc/52/60/96/552526096.db2.gz LOVXTBMIVVBDJD-UHFFFAOYSA-N 1 0 387.318 2.557 20 0 GFADRO Cc1cc(Br)ccc1C[NH2+]Cc1ccc(S(=O)(=O)CCO)cc1 ZINC000191840111 552539328 /nfs/dbraw/zinc/53/93/28/552539328.db2.gz ZLGQGHMRUSTHPS-UHFFFAOYSA-N 1 0 398.322 2.813 20 0 GFADRO Cc1c[nH+]ccc1N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000191976847 552544355 /nfs/dbraw/zinc/54/43/55/552544355.db2.gz VITHPKZVVRHYLJ-UHFFFAOYSA-N 1 0 396.310 2.663 20 0 GFADRO C[C@H]([NH3+])[C@H](C)C(=O)Nc1ccc(Br)c(I)c1 ZINC000192037480 552547305 /nfs/dbraw/zinc/54/73/05/552547305.db2.gz ZDIHXAUHNYOBNO-BQBZGAKWSA-N 1 0 397.054 2.976 20 0 GFADRO Cn1nc(Br)cc1C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000192051191 552547861 /nfs/dbraw/zinc/54/78/61/552547861.db2.gz HERBJURBMCCVBA-UHFFFAOYSA-N 1 0 377.286 2.577 20 0 GFADRO C[N@H+](CCCn1ccnc1)[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000192075428 552549496 /nfs/dbraw/zinc/54/94/96/552549496.db2.gz WCSBMVFCVREBSB-MRXNPFEDSA-N 1 0 377.286 2.773 20 0 GFADRO CCN1CC[NH+](C[C@H](C)CNC(=O)c2cccc(Br)c2F)CC1 ZINC000192106266 552551330 /nfs/dbraw/zinc/55/13/30/552551330.db2.gz ZZAQXVBGSNHIDG-CYBMUJFWSA-N 1 0 386.309 2.592 20 0 GFADRO C[C@H]1CCN(C(=O)c2cc(Br)nn2C)CC[N@@H+]1Cc1ccccc1 ZINC000192140568 552552702 /nfs/dbraw/zinc/55/27/02/552552702.db2.gz VLZZZFLQEYTSHA-AWEZNQCLSA-N 1 0 391.313 2.919 20 0 GFADRO Cc1cc(NC(=O)NCC2CC[NH+](CCO)CC2)cc(C)c1Br ZINC000192419636 552562736 /nfs/dbraw/zinc/56/27/36/552562736.db2.gz KLOJRZWQVNHRIC-UHFFFAOYSA-N 1 0 384.318 2.892 20 0 GFADRO Cc1cc(NC(=O)C(=O)NC2CC[NH+](C(C)C)CC2)cc(C)c1Br ZINC000192448830 552564091 /nfs/dbraw/zinc/56/40/91/552564091.db2.gz NHVKBWABBUZGRA-UHFFFAOYSA-N 1 0 396.329 2.993 20 0 GFADRO C[C@@H](NS(=O)(=O)c1cc(Br)ccc1F)C(C)(C)C[NH+](C)C ZINC000443899507 563814783 /nfs/dbraw/zinc/81/47/83/563814783.db2.gz UITPDKSVOOFHFQ-SNVBAGLBSA-N 1 0 381.311 2.843 20 0 GFADRO Cc1cc(S(=O)(=O)N(C)CC2CC[NH+](C)CC2)c(F)cc1Br ZINC000416384724 563821000 /nfs/dbraw/zinc/82/10/00/563821000.db2.gz IGNIMFWCMFVIJG-UHFFFAOYSA-N 1 0 393.322 2.859 20 0 GFADRO COc1cc(Cl)c(S(=O)(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)cc1OC ZINC000192822120 552975271 /nfs/dbraw/zinc/97/52/71/552975271.db2.gz DVJQSGXYUCKJRS-NEPJUHHUSA-N 1 0 376.906 2.508 20 0 GFADRO CCN(CCC[NH+](C)C)S(=O)(=O)c1cc(F)c(Br)cc1F ZINC000192941932 552978755 /nfs/dbraw/zinc/97/87/55/552978755.db2.gz XSMXTNAJYCLPGJ-UHFFFAOYSA-N 1 0 385.274 2.690 20 0 GFADRO CN(C(=O)CNC(=O)c1sc2ccccc2c1Cl)C1CC[NH+](C)CC1 ZINC000192976027 552978881 /nfs/dbraw/zinc/97/88/81/552978881.db2.gz FUXQIGOZXJDREH-UHFFFAOYSA-N 1 0 379.913 2.837 20 0 GFADRO C[C@@H]1Cc2cc(S(=O)(=O)NCc3ccc4c(c3)C[NH2+]C4)cc(Cl)c2O1 ZINC000193430400 552992647 /nfs/dbraw/zinc/99/26/47/552992647.db2.gz CUPWMASSOUFOFL-LLVKDONJSA-N 1 0 378.881 2.745 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)N[C@@H]1CCC[NH2+][C@@H]1C ZINC000193532441 552995485 /nfs/dbraw/zinc/99/54/85/552995485.db2.gz HGAMLMVXHKBBSK-RBSFLKMASA-N 1 0 384.567 2.608 20 0 GFADRO C[NH+](C)Cc1ccc(C[N-]S(=O)(=O)c2c(F)c(F)cc(F)c2F)cc1 ZINC000193652660 552999106 /nfs/dbraw/zinc/99/91/06/552999106.db2.gz RJDWXZOTKCRCFA-UHFFFAOYSA-N 1 0 376.375 2.783 20 0 GFADRO O=C(N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO)c1ccoc1Br ZINC000193739771 553001514 /nfs/dbraw/zinc/00/15/14/553001514.db2.gz PSTPMPMMAPWDCL-GDBMZVCRSA-N 1 0 393.281 2.655 20 0 GFADRO CC(C)COC[C@@H](O)CN1CCN(C(=O)c2c(Cl)cccc2Cl)CC1 ZINC000193825220 553004212 /nfs/dbraw/zinc/00/42/12/553004212.db2.gz NNMAVCYKKDDQRW-AWEZNQCLSA-N 1 0 389.323 2.785 20 0 GFADRO CN(CCN(C)S(=O)(=O)c1cccc(Cl)c1Cl)C1CC[NH+](C)CC1 ZINC000193910793 553006624 /nfs/dbraw/zinc/00/66/24/553006624.db2.gz DUQYCJJCGRDXTN-UHFFFAOYSA-N 1 0 394.368 2.640 20 0 GFADRO CCS(=O)(=O)N1CCC([NH2+][C@@H](C)c2cc(Br)cs2)CC1 ZINC000193964757 553008320 /nfs/dbraw/zinc/00/83/20/553008320.db2.gz LNZHNRONAVORQN-JTQLQIEISA-N 1 0 381.361 2.975 20 0 GFADRO Cn1cc(N2CC[C@@H]([NH2+]C3CC(c4ccc(Br)cc4)C3)C2=O)cn1 ZINC000194102734 553011692 /nfs/dbraw/zinc/01/16/92/553011692.db2.gz RGADSWMWLFQUKZ-PUJMQQBBSA-N 1 0 389.297 2.824 20 0 GFADRO C[NH+](C)Cc1ccnc(NS(=O)(=O)Cc2ccc(Br)cc2)c1 ZINC000194598275 553025157 /nfs/dbraw/zinc/02/51/57/553025157.db2.gz MEFHWWVMZAIPDS-UHFFFAOYSA-N 1 0 384.299 2.848 20 0 GFADRO [NH3+]CCN(Cc1ccccc1)S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000194751215 553028594 /nfs/dbraw/zinc/02/85/94/553028594.db2.gz PVXIZLZURZLLLL-UHFFFAOYSA-N 1 0 376.375 2.994 20 0 GFADRO [NH3+]C[C@@H](NS(=O)(=O)c1cc(Br)ccc1Cl)C1CCCC1 ZINC000194776324 553029176 /nfs/dbraw/zinc/02/91/76/553029176.db2.gz ZJRVGZUCKSEHQU-GFCCVEGCSA-N 1 0 381.723 2.898 20 0 GFADRO COc1cccc([C@H](CNC(=O)c2ncccc2Br)[NH+](C)C)c1 ZINC000194870892 553032215 /nfs/dbraw/zinc/03/22/15/553032215.db2.gz JVSMOZCZEPESLA-HNNXBMFYSA-N 1 0 378.270 2.885 20 0 GFADRO C[NH+]1CCC(CNC(=O)COc2ccc(Br)cc2Cl)CC1 ZINC000194937057 553033919 /nfs/dbraw/zinc/03/39/19/553033919.db2.gz XYXSIIITUOMDAA-UHFFFAOYSA-N 1 0 375.694 2.939 20 0 GFADRO C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000195056246 553036808 /nfs/dbraw/zinc/03/68/08/553036808.db2.gz OOXHUVZQKYICRD-QWHCGFSZSA-N 1 0 384.307 2.808 20 0 GFADRO CSc1ccc(Cl)cc1NC(=O)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000195066939 553037442 /nfs/dbraw/zinc/03/74/42/553037442.db2.gz PHOGGYYEEAKBJB-UHFFFAOYSA-N 1 0 381.929 2.991 20 0 GFADRO O=C(COc1ccc2cc(Br)ccc2c1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000195267938 553043127 /nfs/dbraw/zinc/04/31/27/553043127.db2.gz UKIARYYBVDXPLQ-GASCZTMLSA-N 1 0 375.266 2.659 20 0 GFADRO C[NH+](C)Cc1ccc(C(=O)NCCS(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000195485972 553050725 /nfs/dbraw/zinc/05/07/25/553050725.db2.gz XDZCYRMLKUGPDX-UHFFFAOYSA-N 1 0 380.897 2.605 20 0 GFADRO CC1(C)C[NH2+]CCN1C(=O)c1cc(Cl)ccc1I ZINC000226277683 553061337 /nfs/dbraw/zinc/06/13/37/553061337.db2.gz MUBSOQNSNVCODH-UHFFFAOYSA-N 1 0 378.641 2.769 20 0 GFADRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3csc(I)c3)CC[C@H]21 ZINC000227337062 553062711 /nfs/dbraw/zinc/06/27/11/553062711.db2.gz YEDNQXAFRQMMFO-CMPLNLGQSA-N 1 0 390.290 2.909 20 0 GFADRO COC[C@H](C[NH2+]Cc1cc(Br)c(OC)c(Br)c1)OC ZINC000227704334 553063439 /nfs/dbraw/zinc/06/34/39/553063439.db2.gz WUZYRSNFKAXVCW-JTQLQIEISA-N 1 0 397.107 2.971 20 0 GFADRO C[NH2+]C[C@H]1CCN(C(=O)c2ccc(Br)cc2Br)C1 ZINC000234403060 553068232 /nfs/dbraw/zinc/06/82/32/553068232.db2.gz WWJSOHIUIVGGHR-SECBINFHSA-N 1 0 376.092 2.893 20 0 GFADRO CC(C)C[C@H]([NH3+])C(=O)NCC1(c2cccc(Br)c2)CCOCC1 ZINC000236678778 553070610 /nfs/dbraw/zinc/07/06/10/553070610.db2.gz BTDIQAPXJVNKEP-INIZCTEOSA-N 1 0 383.330 2.987 20 0 GFADRO CCC([NH3+])(CC)CNC(=O)C[C@H](NC(C)=O)c1ccc(Br)cc1 ZINC000236768860 553071113 /nfs/dbraw/zinc/07/11/13/553071113.db2.gz JOBLJTZEYJROHX-HNNXBMFYSA-N 1 0 384.318 2.650 20 0 GFADRO CCCN(C(=O)[C@H](C)N1C(=S)N=NC1c1cccs1)C1CC[NH2+]CC1 ZINC000236822608 553071681 /nfs/dbraw/zinc/07/16/81/553071681.db2.gz DJIOJPQVXXIIME-LBPRGKRZSA-N 1 0 379.555 2.847 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)N1CCC[C@@H]1C[NH2+]C ZINC000236825228 553071829 /nfs/dbraw/zinc/07/18/29/553071829.db2.gz ZLHAGIYUWZNPGX-LSDHHAIUSA-N 1 0 384.567 2.561 20 0 GFADRO CCCN(C1CC[NH2+]CC1)S(=O)(=O)c1cccc(C)c1Br ZINC000236878467 553072488 /nfs/dbraw/zinc/07/24/88/553072488.db2.gz KNNKUXKQFPQLRJ-UHFFFAOYSA-N 1 0 375.332 2.910 20 0 GFADRO CCCOc1c(Br)cc(C(=O)NC[C@@H]2CCC[NH2+]C2)cc1OC ZINC000236987247 553073473 /nfs/dbraw/zinc/07/34/73/553073473.db2.gz GFKZTBONOXSZTJ-GFCCVEGCSA-N 1 0 385.302 2.976 20 0 GFADRO COc1ccc(Br)cc1C(=O)CCC(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000237110683 553075059 /nfs/dbraw/zinc/07/50/59/553075059.db2.gz WKDVIQBAAYAJGO-ZDUSSCGKSA-N 1 0 397.313 2.927 20 0 GFADRO CN(CC(=O)Nc1ccc(Br)cn1)C(=O)[C@@H]1CCCCCC[C@H]1[NH3+] ZINC000237096424 553075066 /nfs/dbraw/zinc/07/50/66/553075066.db2.gz HCCRYKWDUNRUGN-ZIAGYGMSSA-N 1 0 397.317 2.539 20 0 GFADRO CSc1cc(C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)c(Cl)cc1Cl ZINC000237295995 553076563 /nfs/dbraw/zinc/07/65/63/553076563.db2.gz AZLCIZLSLLHSDC-SNVBAGLBSA-N 1 0 390.336 2.642 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)CCNC(=O)Nc2ccc(Br)cc2)C1 ZINC000237408959 553077765 /nfs/dbraw/zinc/07/77/65/553077765.db2.gz BDVJCAYMSNRLKZ-CHWSQXEVSA-N 1 0 397.317 2.547 20 0 GFADRO C[C@@H](C[NH3+])N(C)S(=O)(=O)c1c(Cl)cc(Br)cc1Cl ZINC000237487776 553078118 /nfs/dbraw/zinc/07/81/18/553078118.db2.gz KEHSQGWMZSOBIS-LURJTMIESA-N 1 0 376.103 2.724 20 0 GFADRO C[C@@]1(C(=O)NCCSCCOc2cccc(Br)c2)CC[NH2+]C1 ZINC000237501271 553078471 /nfs/dbraw/zinc/07/84/71/553078471.db2.gz HVUAIMHBYLMMIB-MRXNPFEDSA-N 1 0 387.343 2.677 20 0 GFADRO C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)[C@]2(C)CC[NH2+]C2)CC1 ZINC000237505232 553078953 /nfs/dbraw/zinc/07/89/53/553078953.db2.gz GEVKJGYCGBGOMZ-KBXCAEBGSA-N 1 0 380.330 2.654 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CC[NH2+]Cc1cccc(C(N)=O)c1 ZINC000237562773 553079385 /nfs/dbraw/zinc/07/93/85/553079385.db2.gz QTHAOOVNFVQALI-UHFFFAOYSA-N 1 0 390.281 2.975 20 0 GFADRO C[C@H](CC(=O)NCC(=O)Nc1ccc(Br)cc1)[C@@H]1CCC[NH2+]C1 ZINC000237602971 553080142 /nfs/dbraw/zinc/08/01/42/553080142.db2.gz IKGPFYXZDQXPDC-CHWSQXEVSA-N 1 0 382.302 2.530 20 0 GFADRO Cc1nn(-c2ccc(C(=O)NC[C@H]([NH3+])C3CC3)cc2)c(C)c1Br ZINC000237665864 553080739 /nfs/dbraw/zinc/08/07/39/553080739.db2.gz XGEYYEGGLRTKBB-HNNXBMFYSA-N 1 0 377.286 2.719 20 0 GFADRO O=C(C[NH2+]C[C@H]1CCCO1)Nc1nc2ccc(OC(F)(F)F)cc2s1 ZINC000237743140 553080947 /nfs/dbraw/zinc/08/09/47/553080947.db2.gz BJAKBLUDGQZRFZ-SNVBAGLBSA-N 1 0 375.372 2.902 20 0 GFADRO [NH3+]C1CCC(NC(=O)C2(c3ccc(Br)cc3)CCOCC2)CC1 ZINC000237789017 553081599 /nfs/dbraw/zinc/08/15/99/553081599.db2.gz XXYNYCPBIYEADB-UHFFFAOYSA-N 1 0 381.314 2.883 20 0 GFADRO [NH3+]CCCOC1CCN(C(=O)CCc2ccc(Br)cc2F)CC1 ZINC000237818260 553082295 /nfs/dbraw/zinc/08/22/95/553082295.db2.gz SEWBCCWLFFMYNG-UHFFFAOYSA-N 1 0 387.293 2.877 20 0 GFADRO [NH3+]C1(CNC(=O)c2ccc(I)c(F)c2)CCCCC1 ZINC000237839562 553082966 /nfs/dbraw/zinc/08/29/66/553082966.db2.gz WHWUHWRYQWXPRP-UHFFFAOYSA-N 1 0 376.213 2.822 20 0 GFADRO [NH3+][C@H]1CCC[C@H]1C(=O)N1CCC(C(=O)Nc2ccccc2Br)CC1 ZINC000237874492 553083619 /nfs/dbraw/zinc/08/36/19/553083619.db2.gz GWFNYOLKERLUHT-HIFRSBDPSA-N 1 0 394.313 2.754 20 0 GFADRO [NH3+][C@H]1CCN(C(=O)c2nn(-c3cccc(Br)c3)c3c2CCCC3)C1 ZINC000237919250 553084087 /nfs/dbraw/zinc/08/40/87/553084087.db2.gz WRTZASKFSWTAEB-ZDUSSCGKSA-N 1 0 389.297 2.687 20 0 GFADRO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)c1nn(-c2ccc(F)cc2)cc1Br ZINC000238015206 553085149 /nfs/dbraw/zinc/08/51/49/553085149.db2.gz RHWKQWBKGOVLIO-HZMBPMFUSA-N 1 0 381.249 2.631 20 0 GFADRO [NH3+]CCCCNC(=O)c1cccc(NC(=O)c2ccc(Br)o2)c1 ZINC000238056506 553085773 /nfs/dbraw/zinc/08/57/73/553085773.db2.gz IRQKPGIFWGKNSM-UHFFFAOYSA-N 1 0 380.242 2.763 20 0 GFADRO C[C@H](CNC(=O)c1cncc(I)c1)[N@@H+]1CCC[C@H](C)C1 ZINC000245637924 553094442 /nfs/dbraw/zinc/09/44/42/553094442.db2.gz GWLVMTMWVZQMQE-NWDGAFQWSA-N 1 0 387.265 2.536 20 0 GFADRO C[C@@H](Oc1ccc(Br)cc1)C(=O)NCCCC[N@@H+]1CCC[C@H]1CO ZINC000245677028 553094995 /nfs/dbraw/zinc/09/49/95/553094995.db2.gz HYGOSXPJMLOQDZ-ZBFHGGJFSA-N 1 0 399.329 2.570 20 0 GFADRO C[C@H](Cc1ccc(Br)cc1)C(=O)NCCCC[N@@H+]1CCC[C@H]1CO ZINC000245789250 553097192 /nfs/dbraw/zinc/09/71/92/553097192.db2.gz WWENZWPGOSOIIF-QAPCUYQASA-N 1 0 397.357 2.981 20 0 GFADRO O=C(C[N@H+](C[C@H]1CCCO1)[C@H]1CCSC1)NCCc1ccc(Cl)cc1 ZINC000245851695 553098362 /nfs/dbraw/zinc/09/83/62/553098362.db2.gz JJCIBPNMJOFSOS-ZWKOTPCHSA-N 1 0 382.957 2.985 20 0 GFADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)Cc3ccccc3I)CC[C@H]21 ZINC000246365439 553107247 /nfs/dbraw/zinc/10/72/47/553107247.db2.gz YPZYXHYTRBCQKH-GDBMZVCRSA-N 1 0 398.288 2.776 20 0 GFADRO COc1cc(Cl)c(S(=O)(=O)N(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)cc1Cl ZINC000246501863 553108417 /nfs/dbraw/zinc/10/84/17/553108417.db2.gz XUVHITHGTGHVNC-GXFFZTMASA-N 1 0 381.325 2.963 20 0 GFADRO Cc1ccc(S(=O)(=O)N(C)[C@H]2CC[N@@H+](C)C[C@H]2C)c(Br)c1 ZINC000246479574 553108790 /nfs/dbraw/zinc/10/87/90/553108790.db2.gz WSDLBWPDRNJWRE-OCCSQVGLSA-N 1 0 375.332 2.718 20 0 GFADRO C[C@H](CO[C@H]1CCOC1)[NH2+][C@H](C)CC(=O)Nc1cccc(Br)c1 ZINC000246841907 553114092 /nfs/dbraw/zinc/11/40/92/553114092.db2.gz BQSXIMNBDHFZFR-IOASZLSFSA-N 1 0 385.302 2.950 20 0 GFADRO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)c1cc(Br)cn1C ZINC000246988527 553116561 /nfs/dbraw/zinc/11/65/61/553116561.db2.gz LHFKGPQSRJQMQF-XJKSGUPXSA-N 1 0 391.313 2.823 20 0 GFADRO CCOc1cc(CN2CCS[C@@H](C)[C@H]2C)nc2nc(C(F)(F)F)nn21 ZINC000247008841 553117496 /nfs/dbraw/zinc/11/74/96/553117496.db2.gz PXJYRUOQYWKSQU-ZJUUUORDSA-N 1 0 375.420 2.868 20 0 GFADRO COc1cc(C(=O)N(C)[C@@H]2CC[N@H+](C)C[C@H]2C)cc(OC)c1Br ZINC000247257134 553120326 /nfs/dbraw/zinc/12/03/26/553120326.db2.gz DWODQHOMAOTMLW-DGCLKSJQSA-N 1 0 385.302 2.879 20 0 GFADRO O[C@H](COc1cccc(Br)c1)C[N@@H+]1CC[C@]2(O)CCCC[C@H]2C1 ZINC000247933282 553126665 /nfs/dbraw/zinc/12/66/65/553126665.db2.gz CFPFVCHZTAVSHY-QILLFSRXSA-N 1 0 384.314 2.816 20 0 GFADRO CCOc1c(Br)cc(C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc1OC ZINC000248585133 553131253 /nfs/dbraw/zinc/13/12/53/553131253.db2.gz FZYQNBOTOADYPJ-JKOKRWQUSA-N 1 0 383.286 2.666 20 0 GFADRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)c3ccc(I)cc3Cl)C[C@H]12 ZINC000248620203 553131712 /nfs/dbraw/zinc/13/17/12/553131712.db2.gz MVLQWRRVQBACSS-LJUAHTATSA-N 1 0 390.652 2.754 20 0 GFADRO Cc1ccc(Cl)c(OC[C@H](O)CN(C)[C@H]2CCCC[C@H]2S(C)(=O)=O)c1 ZINC000248615635 553131832 /nfs/dbraw/zinc/13/18/32/553131832.db2.gz YWHMAXGGHUMZMF-UWWQBHOKSA-N 1 0 389.945 2.676 20 0 GFADRO CCN1CC[C@H](NS(=O)(=O)N2CCC[C@H]2C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000248722411 553133795 /nfs/dbraw/zinc/13/37/95/553133795.db2.gz OSTJJJKMGFXTAG-OAUYIBNBSA-N 1 0 389.924 2.933 20 0 GFADRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2Cc3cc(Br)ccc3O2)C1 ZINC000248760594 553134442 /nfs/dbraw/zinc/13/44/42/553134442.db2.gz QMGJMKNDOSUKFY-SUMWQHHRSA-N 1 0 381.314 2.989 20 0 GFADRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)[C@@H]2Cc3cc(Br)ccc3O2)C1 ZINC000248784269 553135130 /nfs/dbraw/zinc/13/51/30/553135130.db2.gz VZAIVVQHSZZAQR-MJEQTWJJSA-N 1 0 379.298 2.695 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2cc(Br)ccc2C)[C@@H](C)C1 ZINC000249155003 553140106 /nfs/dbraw/zinc/14/01/06/553140106.db2.gz ICVBENVCQGXCBC-XJKSGUPXSA-N 1 0 396.329 2.885 20 0 GFADRO COCCO[C@@H]1CC[N@@H+]([C@@H](C)C(=O)N(C)Cc2ccc(Br)cc2)C1 ZINC000249296667 553141429 /nfs/dbraw/zinc/14/14/29/553141429.db2.gz BJTMRUUMPMNECT-WMLDXEAASA-N 1 0 399.329 2.533 20 0 GFADRO C[C@@H]1CN(C(=O)[C@H]2C[C@H]2c2cccc(Br)c2)CC[N@@H+]1CC(C)(C)O ZINC000249332923 553142097 /nfs/dbraw/zinc/14/20/97/553142097.db2.gz HTBHNODFOJSTSV-COXVUDFISA-N 1 0 395.341 2.856 20 0 GFADRO C[C@@H]1CN(C(=O)[C@H]2C[C@@H]2c2ccc(Br)cc2)CC[N@@H+]1CC(C)(C)O ZINC000249360277 553142164 /nfs/dbraw/zinc/14/21/64/553142164.db2.gz LMSXYTZYPSEOIA-XYPHTWIQSA-N 1 0 395.341 2.856 20 0 GFADRO O[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@@H+]2CCCOc1cccc(I)c1 ZINC000249430999 553142853 /nfs/dbraw/zinc/14/28/53/553142853.db2.gz DWYAGPASMIKPEM-NCZBFZFDSA-N 1 0 399.272 2.761 20 0 GFADRO C[C@H](C(=O)Nc1ccccc1Br)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000249403346 553142994 /nfs/dbraw/zinc/14/29/94/553142994.db2.gz TXKWWMZIXIRPSD-ZIAGYGMSSA-N 1 0 398.345 2.553 20 0 GFADRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)[C@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl ZINC000249948185 553146903 /nfs/dbraw/zinc/14/69/03/553146903.db2.gz IKEBGQJWSRWLRA-HFBAOOFYSA-N 1 0 384.307 2.712 20 0 GFADRO C[N@@H+]1CCC[C@@H](N2CCN(c3ncnc4ccc(Br)cc43)CC2)C1 ZINC000261420878 553153259 /nfs/dbraw/zinc/15/32/59/553153259.db2.gz HBCNLFXRTKTQSR-OAHLLOKOSA-N 1 0 390.329 2.609 20 0 GFADRO O=C(CN1CC[NH2+]C[C@@H]1c1cccnc1)Nc1ccc(Br)cc1F ZINC000261618411 553154559 /nfs/dbraw/zinc/15/45/59/553154559.db2.gz CULOOSVQWDHYOM-MRXNPFEDSA-N 1 0 393.260 2.568 20 0 GFADRO C[NH2+][C@H](C)CNC(=O)c1ccccc1N(C)C(=O)c1ccc(Br)o1 ZINC000261641755 553155430 /nfs/dbraw/zinc/15/54/30/553155430.db2.gz DIWSOZNMKWVJJS-LLVKDONJSA-N 1 0 394.269 2.656 20 0 GFADRO Cn1ccnc1[C@H]1C[NH2+]CCN1CCC(=O)Nc1c(Cl)cccc1Cl ZINC000261664434 553155839 /nfs/dbraw/zinc/15/58/39/553155839.db2.gz BHYNBNPFUQNNHH-CQSZACIVSA-N 1 0 382.295 2.702 20 0 GFADRO O=C(NC[C@H]1CCCN(Cc2cc(Br)ccc2F)C1)[C@@H]1CCC[NH2+]1 ZINC000261705319 553156874 /nfs/dbraw/zinc/15/68/74/553156874.db2.gz PDPLJLOFQYENJR-DYVFJYSZSA-N 1 0 398.320 2.668 20 0 GFADRO COCC1(CNC(=O)[C@@H](C)Oc2ccc(C)cc2Br)CC[NH2+]CC1 ZINC000261722317 553157596 /nfs/dbraw/zinc/15/75/96/553157596.db2.gz LQKUEDPSMXMQPH-CQSZACIVSA-N 1 0 399.329 2.657 20 0 GFADRO COc1cccc(CCNC(=O)[C@@](C)([NH3+])c2ccc(Br)cc2)c1 ZINC000261754855 553158058 /nfs/dbraw/zinc/15/80/58/553158058.db2.gz NCJZMXDHIJIKKY-SFHVURJKSA-N 1 0 377.282 2.991 20 0 GFADRO COC(=O)C[C@H](NC(=O)CC[C@@H]1CC[NH2+]C1)c1ccc(Br)cc1 ZINC000261774775 553158435 /nfs/dbraw/zinc/15/84/35/553158435.db2.gz JCXPIAYOZOEQDB-DOMZBBRYSA-N 1 0 383.286 2.559 20 0 GFADRO CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1([NH3+])C(=O)NCc1cc(F)ccc1Br ZINC000261814982 553159891 /nfs/dbraw/zinc/15/98/91/553159891.db2.gz GVIFNRRVDJBPCT-DXCKQFNASA-N 1 0 385.277 2.737 20 0 GFADRO O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1cc2cc(Cl)ccc2o1 ZINC000261796824 553159904 /nfs/dbraw/zinc/15/99/04/553159904.db2.gz GUONQTZDVDLCCH-CQSZACIVSA-N 1 0 375.778 2.652 20 0 GFADRO COCC1(CNC(=O)c2sc(C)c(Br)c2OC)CC[NH2+]CC1 ZINC000261821560 553160441 /nfs/dbraw/zinc/16/04/41/553160441.db2.gz YBWBPLLLWNMCTB-UHFFFAOYSA-N 1 0 391.331 2.574 20 0 GFADRO C[C@@]1(C[NH3+])CCN(S(=O)(=O)c2ccc3cc(Br)ccc3c2)C1 ZINC000261847242 553161004 /nfs/dbraw/zinc/16/10/04/553161004.db2.gz RESFWWWMIUXZLS-INIZCTEOSA-N 1 0 383.311 2.962 20 0 GFADRO [NH3+][C@H]1CCc2nc(NC(=O)c3ccc(I)cc3)sc2C1 ZINC000261856023 553161176 /nfs/dbraw/zinc/16/11/76/553161176.db2.gz XELKIHFGRQZGFW-JTQLQIEISA-N 1 0 399.257 2.816 20 0 GFADRO O=C(CC[C@H]1CC[NH2+]C1)NC[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000261879960 553161818 /nfs/dbraw/zinc/16/18/18/553161818.db2.gz RQNGNOGDQMRYMN-GJZGRUSLSA-N 1 0 380.330 2.781 20 0 GFADRO [NH3+]CCN(CCc1ccccc1)S(=O)(=O)c1ccc(Br)s1 ZINC000261923458 553163074 /nfs/dbraw/zinc/16/30/74/553163074.db2.gz BXYGAYVPABCOQJ-UHFFFAOYSA-N 1 0 389.340 2.703 20 0 GFADRO COc1cc(Br)c(CN2CC[NH2+]C[C@@H]2c2ccncc2)cc1O ZINC000261967119 553163620 /nfs/dbraw/zinc/16/36/20/553163620.db2.gz HWBAOAWPGUYKIG-OAHLLOKOSA-N 1 0 378.270 2.705 20 0 GFADRO Cc1c2cc(Br)ccc2oc1C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000262060102 553165059 /nfs/dbraw/zinc/16/50/59/553165059.db2.gz NVMMUKKJVLVLEP-AWEZNQCLSA-N 1 0 392.297 2.623 20 0 GFADRO O=C(COc1cc(Cl)c(Cl)cc1Cl)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000262073176 553165398 /nfs/dbraw/zinc/16/53/98/553165398.db2.gz PNVIONFJTXACHU-LLVKDONJSA-N 1 0 392.714 2.532 20 0 GFADRO C[NH2+]CCC1CCN(C(=O)Cc2cccc(I)c2)CC1 ZINC000262106883 553166017 /nfs/dbraw/zinc/16/60/17/553166017.db2.gz UERILRUBBDCVBV-UHFFFAOYSA-N 1 0 386.277 2.682 20 0 GFADRO COC(=O)C[C@H](NC(=O)[C@H]1CCC[C@H]([NH3+])C1)c1ccc(Br)cc1 ZINC000262254510 553167949 /nfs/dbraw/zinc/16/79/49/553167949.db2.gz DXTCYGXLLNYFEV-QEJZJMRPSA-N 1 0 383.286 2.687 20 0 GFADRO COCC1(C(=O)Nc2nnc(Cc3cccc(Cl)c3)s2)CC[NH2+]CC1 ZINC000262325491 553169256 /nfs/dbraw/zinc/16/92/56/553169256.db2.gz DGKXHMOHIMTYJA-UHFFFAOYSA-N 1 0 380.901 2.737 20 0 GFADRO C[C@@H](C(=O)Nc1ccc(CCn2cc(Br)cn2)cc1)C1C[NH2+]C1 ZINC000262319396 553169257 /nfs/dbraw/zinc/16/92/57/553169257.db2.gz CPBPQNCNZHNYJE-GFCCVEGCSA-N 1 0 377.286 2.682 20 0 GFADRO C[C@H]1[NH2+]CCN(C(=O)c2cc(Cl)ccc2I)[C@@H]1C ZINC000262727332 553174730 /nfs/dbraw/zinc/17/47/30/553174730.db2.gz APCDFTISRDLJOA-RKDXNWHRSA-N 1 0 378.641 2.767 20 0 GFADRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)c1ccc(I)cc1Cl ZINC000262846852 553176766 /nfs/dbraw/zinc/17/67/66/553176766.db2.gz RWOVDMSDJFHYJN-PRHODGIISA-N 1 0 378.641 2.672 20 0 GFADRO CN(C)c1ncc(Br)cc1C(=O)NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000262473675 553171296 /nfs/dbraw/zinc/17/12/96/553171296.db2.gz YNPQNGIFIQVVRL-INIZCTEOSA-N 1 0 389.297 2.527 20 0 GFADRO CCc1nc(C(=O)NCC[C@H]2CC[NH2+]C2)nn1-c1c(Cl)cccc1Cl ZINC000262586270 553172969 /nfs/dbraw/zinc/17/29/69/553172969.db2.gz OSVXMUJQJIYXOI-LLVKDONJSA-N 1 0 382.295 2.866 20 0 GFADRO Cc1cc(Br)ccc1CNC(=O)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000262694892 553174220 /nfs/dbraw/zinc/17/42/20/553174220.db2.gz AWZWFBYKCDQCBN-OAHLLOKOSA-N 1 0 377.286 2.809 20 0 GFADRO COc1cc(Br)c(S(=O)(=O)N(C)CC(C)(C)C[NH3+])cc1Cl ZINC000262726446 553174531 /nfs/dbraw/zinc/17/45/31/553174531.db2.gz ARBZGNIGSTXTSW-UHFFFAOYSA-N 1 0 399.738 2.717 20 0 GFADRO O=C(NC[C@@H](O)c1cc(Cl)cc(Cl)c1)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000262713531 553174690 /nfs/dbraw/zinc/17/46/90/553174690.db2.gz GBDFRSJPJQDZPB-GOEBONIOSA-N 1 0 383.279 2.578 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)CC[NH2+]1 ZINC000262810140 553176308 /nfs/dbraw/zinc/17/63/08/553176308.db2.gz FUTJKHXAQRWDPB-FFSVYQOJSA-N 1 0 384.307 2.855 20 0 GFADRO O=S(=O)(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cccc(Cl)c1Br ZINC000262810806 553176474 /nfs/dbraw/zinc/17/64/74/553176474.db2.gz YDSYNGSYNMZEDQ-ULKQDVFKSA-N 1 0 379.707 2.664 20 0 GFADRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)c1ccc(I)cc1Cl ZINC000262846850 553176667 /nfs/dbraw/zinc/17/66/67/553176667.db2.gz RWOVDMSDJFHYJN-PELKAZGASA-N 1 0 378.641 2.672 20 0 GFADRO C[C@@H]1[NH2+]CCN(C(=O)CCC[S@](=O)c2ccc(Br)cc2)[C@H]1C ZINC000262827670 553176914 /nfs/dbraw/zinc/17/69/14/553176914.db2.gz UIVDKEGVTZLLMC-MZFXBISCSA-N 1 0 387.343 2.546 20 0 GFADRO COc1ccc(Br)c(NC(=O)c2ccn([C@H]3CCC[NH2+]C3)n2)c1 ZINC000262851192 553177132 /nfs/dbraw/zinc/17/71/32/553177132.db2.gz SJBXFARXDWEUSS-NSHDSACASA-N 1 0 379.258 2.831 20 0 GFADRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)c1cc(Cl)ccc1I ZINC000262849704 553177422 /nfs/dbraw/zinc/17/74/22/553177422.db2.gz SCUNDDMXGFQBCM-PRHODGIISA-N 1 0 378.641 2.672 20 0 GFADRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)c1cc(Cl)ccc1I ZINC000262849705 553177455 /nfs/dbraw/zinc/17/74/55/553177455.db2.gz SCUNDDMXGFQBCM-QPUJVOFHSA-N 1 0 378.641 2.672 20 0 GFADRO O=C(NCCc1ccc(Br)s1)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000262876391 553177744 /nfs/dbraw/zinc/17/77/44/553177744.db2.gz YJQVAMDDRXGLOV-LLVKDONJSA-N 1 0 383.315 2.604 20 0 GFADRO C[C@@]1([NH3+])CCCC[C@@H]1C(=O)Nc1ncn(Cc2cccc(Br)c2)n1 ZINC000262907657 553178520 /nfs/dbraw/zinc/17/85/20/553178520.db2.gz FHWDOIZJYQCAQS-RHSMWYFYSA-N 1 0 392.301 2.935 20 0 GFADRO C[C@@]1([NH3+])CCCC[C@H]1C(=O)NCc1nnc(-c2ccc(Br)cc2)[nH]1 ZINC000263234388 553184737 /nfs/dbraw/zinc/18/47/37/553184737.db2.gz NVFUCMSABCEFRF-SUMWQHHRSA-N 1 0 392.301 2.758 20 0 GFADRO CC(C)Oc1cc(Br)ccc1C(=O)NC[C@@H](C)N1CC[NH+](C)CC1 ZINC000263779241 553193369 /nfs/dbraw/zinc/19/33/69/553193369.db2.gz OIZILPICQRHAOE-CQSZACIVSA-N 1 0 398.345 2.602 20 0 GFADRO CC[NH+](CC)[C@H](C)CNC(=O)c1ccc(I)cc1F ZINC000448975904 563904347 /nfs/dbraw/zinc/90/43/47/563904347.db2.gz RCDJQXXOWSHWIT-SNVBAGLBSA-N 1 0 378.229 2.890 20 0 GFADRO C[C@@H](CCc1ccc(I)cc1)[NH2+][C@@H]1CC[C@H](C(N)=O)C1 ZINC000449751269 564199899 /nfs/dbraw/zinc/19/98/99/564199899.db2.gz BTEWBONPNSKEJU-CORIIIEPSA-N 1 0 386.277 2.856 20 0 GFADRO CC(C)(CNS(=O)(=O)c1ccc(Br)s1)C[NH+]1CCCC1 ZINC000480757122 564486386 /nfs/dbraw/zinc/48/63/86/564486386.db2.gz KUGQGGLGXSFESP-UHFFFAOYSA-N 1 0 381.361 2.911 20 0 GFADRO CC(=O)N1CC[C@H](C[N@@H+](C)Cc2ccc(I)s2)C1 ZINC000602494522 565852035 /nfs/dbraw/zinc/85/20/35/565852035.db2.gz POGVANCZMUKMPV-LLVKDONJSA-N 1 0 378.279 2.653 20 0 GFADRO COCCN(Cc1sccc1Br)C(=O)[C@@H]1CCC[NH2+][C@H]1C ZINC000423853317 563364328 /nfs/dbraw/zinc/36/43/28/563364328.db2.gz WPZZJJGPVLUING-NWDGAFQWSA-N 1 0 375.332 2.874 20 0 GFADRO COC[C@]1(CNC(=O)c2ccc(Br)cc2C(F)(F)F)CCC[NH2+]1 ZINC000324021559 563451466 /nfs/dbraw/zinc/45/14/66/563451466.db2.gz NPIKVTMKYAKDAX-CQSZACIVSA-N 1 0 395.219 2.966 20 0 GFADRO C[NH+](C)[C@H]1CCCN(S(=O)(=O)c2ccc(F)c(Br)c2)CC1 ZINC000428856853 563503269 /nfs/dbraw/zinc/50/32/69/563503269.db2.gz OJYSDHKIMIPFMC-NSHDSACASA-N 1 0 379.295 2.693 20 0 GFADRO Cc1c(Br)cc(C(=O)NC[C@H](c2ccsc2)[NH+](C)C)c(=O)n1C ZINC000277555596 563213402 /nfs/dbraw/zinc/21/34/02/563213402.db2.gz YAXZGNNQXWEJDA-CQSZACIVSA-N 1 0 398.326 2.550 20 0 GFADRO CN(C(=O)NCCc1c[nH]c2cccc(Br)c12)C1CC[NH2+]CC1 ZINC000418199163 563213450 /nfs/dbraw/zinc/21/34/50/563213450.db2.gz MXXPMOFQCLJKAU-UHFFFAOYSA-N 1 0 379.302 2.866 20 0 GFADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+]CCCOC(C)C ZINC000294729111 563214540 /nfs/dbraw/zinc/21/45/40/563214540.db2.gz IWFGRAQSOCGCAG-CYBMUJFWSA-N 1 0 387.318 2.867 20 0 GFADRO C[NH2+]CCCNC(=O)N1CCC[C@H]1c1ccc(I)cc1 ZINC000418280280 563215413 /nfs/dbraw/zinc/21/54/13/563215413.db2.gz AMVSUGDCFOCTNT-AWEZNQCLSA-N 1 0 387.265 2.747 20 0 GFADRO [NH3+]C[C@H]1CCCC[C@H]1NC(=O)NCc1nc2c(cccc2Br)[nH]1 ZINC000418275185 563215479 /nfs/dbraw/zinc/21/54/79/563215479.db2.gz YSTBLGKPSMYAAE-ZYHUDNBSSA-N 1 0 380.290 2.642 20 0 GFADRO [NH3+]CCNC(=O)N(Cc1cccc(Br)c1)CC1(O)CCCCC1 ZINC000418306060 563215860 /nfs/dbraw/zinc/21/58/60/563215860.db2.gz QDPFTSNJLMWOOW-UHFFFAOYSA-N 1 0 384.318 2.615 20 0 GFADRO COCC[N@@H+]1CC[C@H](NC(=O)c2cc(Cl)c(F)cc2Br)C1 ZINC000294760549 563215959 /nfs/dbraw/zinc/21/59/59/563215959.db2.gz YEXYMMIKLUMXIV-VIFPVBQESA-N 1 0 379.657 2.692 20 0 GFADRO O=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)C(=O)Nc1ccc(Br)cc1 ZINC000277599022 563215958 /nfs/dbraw/zinc/21/59/58/563215958.db2.gz WQWFUHQKEGTPPF-HNNXBMFYSA-N 1 0 380.286 2.521 20 0 GFADRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)N(CCO)Cc1cc(Br)cs1 ZINC000418402646 563217418 /nfs/dbraw/zinc/21/74/18/563217418.db2.gz BHGALKVEEKYYDL-FZMZJTMJSA-N 1 0 390.347 2.532 20 0 GFADRO CC1(CNC(=O)N2CCO[C@@H](c3cccc(Br)c3)C2)CC[NH2+]CC1 ZINC000418511522 563218512 /nfs/dbraw/zinc/21/85/12/563218512.db2.gz CTQNSZUCQYMFHF-MRXNPFEDSA-N 1 0 396.329 2.922 20 0 GFADRO [NH3+][C@H](CNC(=O)N1CCC[C@@H]1C(=O)Nc1cc(Cl)cc(Cl)c1)C1CC1 ZINC000418502365 563218778 /nfs/dbraw/zinc/21/87/78/563218778.db2.gz UQYLGASHUCKSOZ-HUUCEWRRSA-N 1 0 385.295 2.843 20 0 GFADRO [NH3+][C@H](CNC(=O)N1CCC[C@@H]1c1ccccc1I)C1CC1 ZINC000418489936 563218887 /nfs/dbraw/zinc/21/88/87/563218887.db2.gz PCFGWJHMMYFZGM-HUUCEWRRSA-N 1 0 399.276 2.875 20 0 GFADRO COCC[NH2+]CCNC(=O)N1CCC[C@H]1c1ccc(Br)c(F)c1 ZINC000418513712 563219416 /nfs/dbraw/zinc/21/94/16/563219416.db2.gz VPVXHOQASNQVOO-HNNXBMFYSA-N 1 0 388.281 2.671 20 0 GFADRO Brc1cc2c(c(C[NH2+]C3CCN(c4cccnn4)CC3)c1)OCC2 ZINC000277661846 563219496 /nfs/dbraw/zinc/21/94/96/563219496.db2.gz OCPMJDOOGCUGJP-UHFFFAOYSA-N 1 0 389.297 2.933 20 0 GFADRO C[C@@H](CC[NH3+])NC(=O)N(CCc1ccc(Cl)cc1)C[C@@H](O)C(F)(F)F ZINC000418533190 563219451 /nfs/dbraw/zinc/21/94/51/563219451.db2.gz UZTCZMUYUHGYOD-SMDDNHRTSA-N 1 0 381.826 2.555 20 0 GFADRO [NH3+]C1(CNC(=O)N2CCC[C@H]2C(=O)Nc2cc(Cl)cc(Cl)c2)CCC1 ZINC000418527127 563219489 /nfs/dbraw/zinc/21/94/89/563219489.db2.gz OZGYVESHWVDQDR-AWEZNQCLSA-N 1 0 385.295 2.987 20 0 GFADRO CC1(CNC(=O)N2CCO[C@H](c3ccc(Br)cc3)C2)CC[NH2+]CC1 ZINC000418518740 563219670 /nfs/dbraw/zinc/21/96/70/563219670.db2.gz NGVVUTBVLMWBOC-INIZCTEOSA-N 1 0 396.329 2.922 20 0 GFADRO COc1ccc(Cl)cc1NC(=O)CC[N@@H+]1CCCC[C@H](S(C)(=O)=O)C1 ZINC000277668101 563220101 /nfs/dbraw/zinc/22/01/01/563220101.db2.gz FLDLAAGXKYZJKP-AWEZNQCLSA-N 1 0 388.917 2.576 20 0 GFADRO O=C(NCCC1=CC[NH2+]CC1)N1CCN(c2cccc(Br)c2)CC1 ZINC000418648584 563221904 /nfs/dbraw/zinc/22/19/04/563221904.db2.gz VJUSJTSAMZAEDG-UHFFFAOYSA-N 1 0 393.329 2.591 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[N@H+](C)CC1(O)CCCC1 ZINC000294987293 563224800 /nfs/dbraw/zinc/22/48/00/563224800.db2.gz XWAVRVKXGYLGCO-ZDUSSCGKSA-N 1 0 399.329 2.699 20 0 GFADRO CC(C)(COc1ncccc1Br)NC(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000418773646 563224896 /nfs/dbraw/zinc/22/48/96/563224896.db2.gz QNHGUDXTRPJRIP-ZDUSSCGKSA-N 1 0 399.333 2.833 20 0 GFADRO O=C(N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)N1CCc2cccc(Br)c2C1 ZINC000418807031 563225642 /nfs/dbraw/zinc/22/56/42/563225642.db2.gz YULMWMKGQVAQTO-RRFJBIMHSA-N 1 0 378.314 2.905 20 0 GFADRO O=C(NCCC[C@H]1CCC[NH2+]1)N[C@@H](CCO)c1ccccc1Br ZINC000418775398 563226062 /nfs/dbraw/zinc/22/60/62/563226062.db2.gz SHKQPRPPQZZCBB-CJNGLKHVSA-N 1 0 384.318 2.704 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000418819972 563226339 /nfs/dbraw/zinc/22/63/39/563226339.db2.gz RGAYAMVINGYKJD-GDJRKYJOSA-N 1 0 384.307 2.694 20 0 GFADRO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)C(=O)N[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000418814064 563226481 /nfs/dbraw/zinc/22/64/81/563226481.db2.gz FJCJQEJEXCBDRZ-YXAMBPQSSA-N 1 0 384.307 2.599 20 0 GFADRO C[C@H]1CCCN(C(=O)C(=O)N[C@@H]2C[C@H]2c2ccc(Cl)cc2Cl)[C@@H]1C[NH3+] ZINC000418820047 563226545 /nfs/dbraw/zinc/22/65/45/563226545.db2.gz RQBWXGJLCUVTCZ-SQWYCQTGSA-N 1 0 384.307 2.551 20 0 GFADRO C[C@@H]([NH3+])C1CCN(C(=O)C(=O)N[C@H](C)c2cc(F)c(Cl)cc2Cl)CC1 ZINC000418838261 563227112 /nfs/dbraw/zinc/22/71/12/563227112.db2.gz CBAAZJZMUGBQDO-NXEZZACHSA-N 1 0 390.286 2.896 20 0 GFADRO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N[C@@H](C)c1cc(F)c(Cl)cc1Cl ZINC000418848512 563227338 /nfs/dbraw/zinc/22/73/38/563227338.db2.gz LMNUTAOLOSVOHU-UWVGGRQHSA-N 1 0 376.259 2.520 20 0 GFADRO CC(C)[C@@H](CNC(=O)C(=O)NCCCC[NH3+])Cc1ccc(Cl)cc1Cl ZINC000418856834 563228064 /nfs/dbraw/zinc/22/80/64/563228064.db2.gz QLVFPXLMWOUSMV-CQSZACIVSA-N 1 0 388.339 2.779 20 0 GFADRO Cn1cc([C@H](NC(=O)NC[C@@H](c2cccs2)[NH+](C)C)C(F)(F)F)cn1 ZINC000277878819 563230062 /nfs/dbraw/zinc/23/00/62/563230062.db2.gz BIKDASFOCMBLNL-AAEUAGOBSA-N 1 0 375.420 2.687 20 0 GFADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[N@@H+]1CC[C@@](C)(COC)C1 ZINC000295141941 563230845 /nfs/dbraw/zinc/23/08/45/563230845.db2.gz PYBMEIOLIDVPKF-FZKQIMNGSA-N 1 0 399.329 2.821 20 0 GFADRO COC[C@@]1(C(=O)OC)CC[N@H+](CCC(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000295158406 563231767 /nfs/dbraw/zinc/23/17/67/563231767.db2.gz MVHFIBVEMNTWAI-QGZVFWFLSA-N 1 0 389.279 2.834 20 0 GFADRO Cn1ncc(Br)c1C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000295162873 563232558 /nfs/dbraw/zinc/23/25/58/563232558.db2.gz KPZOJHVKOYKBHK-UHFFFAOYSA-N 1 0 377.286 2.708 20 0 GFADRO CCCC[C@H](C[NH3+])NC(=O)C(=O)N[C@H](CC)Cc1ccccc1Br ZINC000419050528 563233274 /nfs/dbraw/zinc/23/32/74/563233274.db2.gz DHLSQCPAPQEXOV-HUUCEWRRSA-N 1 0 398.345 2.520 20 0 GFADRO [NH3+]CC[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CCc3c2ccc(Cl)c3Cl)C1 ZINC000419091376 563233344 /nfs/dbraw/zinc/23/33/44/563233344.db2.gz GLYSVPZHEIVSMF-XHDPSFHLSA-N 1 0 384.307 2.684 20 0 GFADRO C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@@H]1CCCN(CCCO)C1 ZINC000295177842 563233405 /nfs/dbraw/zinc/23/34/05/563233405.db2.gz VFXPSAXEOLRKII-WMLDXEAASA-N 1 0 398.345 2.603 20 0 GFADRO CC(C)[C@H]([NH3+])CNC(=O)C(=O)NCC1(c2ccc(Cl)cc2Cl)CCC1 ZINC000419154318 563234384 /nfs/dbraw/zinc/23/43/84/563234384.db2.gz QDIRPYAARKXKDJ-OAHLLOKOSA-N 1 0 386.323 2.631 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N[C@H](C)Cc2ccc(Cl)cc2Cl)C1 ZINC000419288850 563236274 /nfs/dbraw/zinc/23/62/74/563236274.db2.gz UAMLCYSVRMBRBB-YRGRVCCFSA-N 1 0 386.323 2.626 20 0 GFADRO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1CCOc1ccc(Cl)cc1Br ZINC000419317557 563237140 /nfs/dbraw/zinc/23/71/40/563237140.db2.gz AJUUZMGQWJPFMO-CHWSQXEVSA-N 1 0 391.737 2.868 20 0 GFADRO O=C1CC[C@@H]([NH2+]Cc2nc(-c3cccc(Br)c3)c[nH]2)[C@H](C2CC2)N1 ZINC000370263662 563238420 /nfs/dbraw/zinc/23/84/20/563238420.db2.gz ZUNVEFXWXSYWOC-KDOFPFPSSA-N 1 0 389.297 2.986 20 0 GFADRO C[C@@H]1CN(C(=O)C(=O)NCC(C)(C)c2ccc(Cl)c(Cl)c2)CC[C@H]1[NH3+] ZINC000419354289 563238491 /nfs/dbraw/zinc/23/84/91/563238491.db2.gz DOPDXRNGPXFQOH-IAQYHMDHSA-N 1 0 386.323 2.583 20 0 GFADRO C[C@H](Oc1ccc(F)cc1Br)C(=O)N[C@@H]1CCc2[nH]cnc2C1 ZINC000370340889 563240356 /nfs/dbraw/zinc/24/03/56/563240356.db2.gz MNGDUBKAPDIXPG-GXSJLCMTSA-N 1 0 382.233 2.752 20 0 GFADRO C[N@@H+](Cc1cc(=O)n2ccsc2n1)C[C@H](O)c1ccccc1Br ZINC000295326413 563242495 /nfs/dbraw/zinc/24/24/95/563242495.db2.gz MJDAXNUAUMOIGJ-AWEZNQCLSA-N 1 0 394.294 2.684 20 0 GFADRO CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)c3ccc(Br)cc3)C2)CC1 ZINC000370425058 563243567 /nfs/dbraw/zinc/24/35/67/563243567.db2.gz QQGOBFCHBPADAR-QGZVFWFLSA-N 1 0 380.330 2.690 20 0 GFADRO C[C@H](NC(=O)C(=O)N[C@H]1CC[NH2+]C1)c1ccc(-c2ccc(Cl)cc2)s1 ZINC000419614955 563243688 /nfs/dbraw/zinc/24/36/88/563243688.db2.gz OQBPEPZXWFLAGF-FZMZJTMJSA-N 1 0 377.897 2.724 20 0 GFADRO CC1(C)CCC[NH2+][C@@H]1CNC(=O)C(=O)NCc1cc(Cl)sc1Cl ZINC000419634008 563243713 /nfs/dbraw/zinc/24/37/13/563243713.db2.gz QIODQCBVSLUMDS-SNVBAGLBSA-N 1 0 378.325 2.566 20 0 GFADRO CCC(CC)(CNC(=O)C(=O)N[C@@H]1CC[NH2+]C1)c1ccc(Cl)c(Cl)c1 ZINC000419658856 563244521 /nfs/dbraw/zinc/24/45/21/563244521.db2.gz ZGBHOSWFPCPZNS-CYBMUJFWSA-N 1 0 386.323 2.646 20 0 GFADRO C[N@H+](Cc1cc(Br)cc2cccnc21)[C@@H]1CCN2CCO[C@H]1C2 ZINC000295372935 563244706 /nfs/dbraw/zinc/24/47/06/563244706.db2.gz JYFKJKJEPJHPCA-SJORKVTESA-N 1 0 376.298 2.902 20 0 GFADRO C[C@@H](CC(F)(F)F)[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000419680935 563245338 /nfs/dbraw/zinc/24/53/38/563245338.db2.gz HSWLYUQPMLOBPB-ZETCQYMHSA-N 1 0 375.210 2.527 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+]C2(Cc3ccccc3)CC2)cc1Br ZINC000419691938 563245861 /nfs/dbraw/zinc/24/58/61/563245861.db2.gz XHGYKXBXZBLOFD-UHFFFAOYSA-N 1 0 395.322 2.961 20 0 GFADRO CN(C)c1ncc(C[NH2+][C@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)n1C ZINC000419692203 563246330 /nfs/dbraw/zinc/24/63/30/563246330.db2.gz GJAXZHJKYSLCRB-AWEZNQCLSA-N 1 0 382.295 2.688 20 0 GFADRO Cc1c2cc(Cl)ccc2sc1CNC(=O)C(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000419704648 563246705 /nfs/dbraw/zinc/24/67/05/563246705.db2.gz HVXMFCCFPOJXMU-IINYFYTJSA-N 1 0 379.913 2.594 20 0 GFADRO CC(C)(CNC(=O)C(=O)N[C@H]1CCC[C@H]1C[NH3+])c1c(Cl)cccc1Cl ZINC000419701246 563246759 /nfs/dbraw/zinc/24/67/59/563246759.db2.gz YYMJZGHCOCCOTA-FZMZJTMJSA-N 1 0 386.323 2.631 20 0 GFADRO Cc1c(CNC(=O)C(=O)N[C@@H]2CC[C@H](C[NH3+])C2)sc2ccc(Cl)cc12 ZINC000419705033 563246808 /nfs/dbraw/zinc/24/68/08/563246808.db2.gz IOMZSFCGGZYXNR-WCQYABFASA-N 1 0 379.913 2.723 20 0 GFADRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)NCC(C)(C)c1c(Cl)cccc1Cl ZINC000419698796 563246951 /nfs/dbraw/zinc/24/69/51/563246951.db2.gz UGVAWGSBUNBIPZ-RISCZKNCSA-N 1 0 386.323 2.501 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+][C@H]1CCC[C@@H]1CCO ZINC000295438878 563247239 /nfs/dbraw/zinc/24/72/39/563247239.db2.gz PGBRJBRJTJDQQP-ZENOOKHLSA-N 1 0 399.329 2.603 20 0 GFADRO COC[C@H](C)OC[C@H](O)C[N@@H+]1CCc2sc(-c3csc(C)n3)cc2C1 ZINC000278258670 563247333 /nfs/dbraw/zinc/24/73/33/563247333.db2.gz GTQWUEXPYAQCFO-SWLSCSKDSA-N 1 0 382.551 2.951 20 0 GFADRO CC[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000419750548 563249491 /nfs/dbraw/zinc/24/94/91/563249491.db2.gz IXYLOLJLIFBCOX-KDOFPFPSSA-N 1 0 386.323 2.628 20 0 GFADRO CC[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000419753247 563249800 /nfs/dbraw/zinc/24/98/00/563249800.db2.gz NNOCVZJPKHWZMY-NILFDRSVSA-N 1 0 386.323 2.687 20 0 GFADRO O=c1cccc2n1C[C@H]1C[C@@H]2C[N@H+](C[C@@H](O)c2ccc(Br)cc2)C1 ZINC000295491894 563250086 /nfs/dbraw/zinc/25/00/86/563250086.db2.gz GYSQGNNDQZPABM-JCKWVBRZSA-N 1 0 389.293 2.764 20 0 GFADRO CC[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000419760684 563250466 /nfs/dbraw/zinc/25/04/66/563250466.db2.gz ZZEPOULVCBOWQO-XFJVYGCCSA-N 1 0 386.323 2.545 20 0 GFADRO COCCOC[C@@H](O)C[N@H+](Cc1cc(Br)ccc1F)C1CC1 ZINC000295531891 563252142 /nfs/dbraw/zinc/25/21/42/563252142.db2.gz NKUFAAHYUOUQCM-HNNXBMFYSA-N 1 0 376.266 2.577 20 0 GFADRO COCCOC[C@H](O)C[N@H+](Cc1cc(Br)ccc1F)C1CC1 ZINC000295531895 563252535 /nfs/dbraw/zinc/25/25/35/563252535.db2.gz NKUFAAHYUOUQCM-OAHLLOKOSA-N 1 0 376.266 2.577 20 0 GFADRO O=C(NCCC[NH2+]C1CC1)C(=O)N(Cc1ccc(Cl)c(Cl)c1)C1CC1 ZINC000419852709 563252583 /nfs/dbraw/zinc/25/25/83/563252583.db2.gz LWDCEKPVAOMDGG-UHFFFAOYSA-N 1 0 384.307 2.743 20 0 GFADRO [NH3+]C1CCC(NC(=O)C(=O)N(Cc2ccc(Cl)c(Cl)c2)C2CC2)CC1 ZINC000419868381 563252588 /nfs/dbraw/zinc/25/25/88/563252588.db2.gz IRNJXVIGBCFNGQ-UHFFFAOYSA-N 1 0 384.307 2.871 20 0 GFADRO C[C@@H]1c2cc(Cl)c(Cl)cc2CCN1C(=O)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000419915452 563252712 /nfs/dbraw/zinc/25/27/12/563252712.db2.gz PNFFOJBLXOZVSJ-NEPJUHHUSA-N 1 0 384.307 2.555 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000370737618 563253667 /nfs/dbraw/zinc/25/36/67/563253667.db2.gz HDFZMFBWIWZCTC-HUUCEWRRSA-N 1 0 394.313 2.747 20 0 GFADRO [NH3+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)c1ccc(I)c(F)c1 ZINC000370753743 563253728 /nfs/dbraw/zinc/25/37/28/563253728.db2.gz LQMJUDMTRVBZDM-YOGCLGLASA-N 1 0 388.224 2.915 20 0 GFADRO C[NH+](C)CC[C@](C)(O)CNC(=O)c1cc2c(ccc(F)c2Br)[nH]1 ZINC000419971280 563254404 /nfs/dbraw/zinc/25/44/04/563254404.db2.gz DINBPNHTLGZXTM-INIZCTEOSA-N 1 0 386.265 2.502 20 0 GFADRO CCCN(Cc1ccccc1Br)C(=O)C(=O)N[C@H](C[NH3+])CC(C)C ZINC000419955547 563254550 /nfs/dbraw/zinc/25/45/50/563254550.db2.gz NMEMPVVTJNNXLB-HNNXBMFYSA-N 1 0 398.345 2.677 20 0 GFADRO O=C(CC1CC[NH2+]CC1)N1CCN(c2nc(-c3cccs3)cs2)CC1 ZINC000370764450 563254772 /nfs/dbraw/zinc/25/47/72/563254772.db2.gz ZYLPAPWJKVSVHD-UHFFFAOYSA-N 1 0 376.551 2.910 20 0 GFADRO O=C(NC[C@H]1CCC[C@@H]1[NH+]1CCOCC1)c1cc(F)cc(Br)c1 ZINC000370777555 563254820 /nfs/dbraw/zinc/25/48/20/563254820.db2.gz ZFASFSXKUZKEOY-WBMJQRKESA-N 1 0 385.277 2.819 20 0 GFADRO O=C(Cc1ccc(F)c(Br)c1)NC[C@@H]1CCC[C@H]1[NH+]1CCOCC1 ZINC000370764214 563255010 /nfs/dbraw/zinc/25/50/10/563255010.db2.gz XBALQGNTZGHBNO-WMLDXEAASA-N 1 0 399.304 2.748 20 0 GFADRO Cc1cc(S(=O)(=O)N(C2CC2)C2CC[NH2+]CC2)sc1Br ZINC000370864928 563258332 /nfs/dbraw/zinc/25/83/32/563258332.db2.gz KGRWRFSKUWQKCE-UHFFFAOYSA-N 1 0 379.345 2.724 20 0 GFADRO CCCC[C@H](C[NH3+])NC(=O)C(=O)N(Cc1cccc(Br)c1)C1CC1 ZINC000420121458 563259036 /nfs/dbraw/zinc/25/90/36/563259036.db2.gz LRNNGCBERCVSBC-OAHLLOKOSA-N 1 0 396.329 2.574 20 0 GFADRO Cn1ncc(Br)c1C[NH2+]CCOc1cccc(C(F)(F)F)n1 ZINC000278531843 563260379 /nfs/dbraw/zinc/26/03/79/563260379.db2.gz RVIMVDJNQHBFSV-UHFFFAOYSA-N 1 0 379.180 2.765 20 0 GFADRO Ic1ccc2ncnc(N3CC[C@H]4C[NH2+]C[C@H]4CC3)c2c1 ZINC000420253690 563261342 /nfs/dbraw/zinc/26/13/42/563261342.db2.gz BLNBYAMFFFXECY-TXEJJXNPSA-N 1 0 394.260 2.670 20 0 GFADRO CN(CC(=O)Nc1ccccc1Sc1ccc(Cl)cc1)C[C@H](O)C[NH3+] ZINC000420349597 563261798 /nfs/dbraw/zinc/26/17/98/563261798.db2.gz DGNDUHXJTAGJJM-CQSZACIVSA-N 1 0 379.913 2.681 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H](CNc2ncnc3ccc(I)cc32)C1 ZINC000420290614 563261995 /nfs/dbraw/zinc/26/19/95/563261995.db2.gz UQXRWLGBMOVNRS-ZYHUDNBSSA-N 1 0 382.249 3.164 20 0 GFADRO COc1c(Cl)cc(Cl)cc1C[NH2+]C[C@H]1CCC[C@@]12NC(=O)N(C)C2=O ZINC000371083921 563264348 /nfs/dbraw/zinc/26/43/48/563264348.db2.gz FCQGWFOBOQDIES-PIGZYNQJSA-N 1 0 386.279 2.812 20 0 GFADRO O=S1(=O)CCCN1C1CCC([NH2+]Cc2cccc(Br)c2)CC1 ZINC000371086823 563264374 /nfs/dbraw/zinc/26/43/74/563264374.db2.gz LSEBSEJWHASZBW-UHFFFAOYSA-N 1 0 387.343 2.885 20 0 GFADRO O=S(=O)(c1ccc(Br)cc1F)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420462993 563264606 /nfs/dbraw/zinc/26/46/06/563264606.db2.gz NMQKEMYCPSCLHQ-SMDDNHRTSA-N 1 0 391.306 2.741 20 0 GFADRO COc1ccc(S(=O)(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)c(Cl)c1 ZINC000420469622 563265093 /nfs/dbraw/zinc/26/50/93/563265093.db2.gz JYULDOPFMSCZOV-GOEBONIOSA-N 1 0 384.860 2.603 20 0 GFADRO Cc1cc(Br)cn2c(C[NH2+]Cc3ccc(C)n(C)c3=O)cnc12 ZINC000278697602 563266885 /nfs/dbraw/zinc/26/68/85/563266885.db2.gz JJSYHMNTQVBVME-UHFFFAOYSA-N 1 0 375.270 2.702 20 0 GFADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1CC(=O)Nc1ccccc1Br ZINC000278707956 563267793 /nfs/dbraw/zinc/26/77/93/563267793.db2.gz QRCMYUPQBABAHI-AWEZNQCLSA-N 1 0 396.329 2.573 20 0 GFADRO O=C(CNC(=O)c1ccc(Cl)c(Cl)c1)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000371238942 563269635 /nfs/dbraw/zinc/26/96/35/563269635.db2.gz YGNKZEDSFIBZGG-BBRMVZONSA-N 1 0 384.307 2.714 20 0 GFADRO CNC(=O)CN1CCC([NH2+][C@H](Cc2ccccc2Br)C2CC2)CC1 ZINC000295994266 563270886 /nfs/dbraw/zinc/27/08/86/563270886.db2.gz NWTNOBMQCFZJTB-GOSISDBHSA-N 1 0 394.357 2.570 20 0 GFADRO C[C@H](CNS(=O)(=O)c1cc(F)ccc1OC(F)F)C[NH+]1CCCCC1 ZINC000420664524 563271239 /nfs/dbraw/zinc/27/12/39/563271239.db2.gz QRHUHTWHZSONSS-GFCCVEGCSA-N 1 0 380.432 2.827 20 0 GFADRO O=C1C[C@H]([C@@H]2CCCC[N@H+]2Cc2cc3c(cc2Br)OCCO3)CN1 ZINC000371307508 563271229 /nfs/dbraw/zinc/27/12/29/563271229.db2.gz FUDAPDAVMMIJDC-WFASDCNBSA-N 1 0 395.297 2.711 20 0 GFADRO C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+]Cc1c(Br)cnn1C ZINC000278858573 563273499 /nfs/dbraw/zinc/27/34/99/563273499.db2.gz XRWZPDKMQZAEGU-AAEUAGOBSA-N 1 0 387.322 2.918 20 0 GFADRO COc1ccc(Br)c(C(=O)N2CC[N@@H+](C3CCOCC3)C[C@H]2C)c1 ZINC000278847707 563273678 /nfs/dbraw/zinc/27/36/78/563273678.db2.gz LRPPCXDRWCZRMP-CYBMUJFWSA-N 1 0 397.313 2.783 20 0 GFADRO C[N@@H+]1CC[C@H]2[C@H](CCCN2S(=O)(=O)c2cc(F)ccc2OC(F)F)C1 ZINC000420686889 563273829 /nfs/dbraw/zinc/27/38/29/563273829.db2.gz CNJNKLLMFCJBHM-YPMHNXCESA-N 1 0 378.416 2.532 20 0 GFADRO CN(CCc1ccc(Br)cc1)C(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000278916726 563276024 /nfs/dbraw/zinc/27/60/24/563276024.db2.gz CNNCLAMTEGAMOF-ZDUSSCGKSA-N 1 0 377.286 2.564 20 0 GFADRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1S(=O)(=O)c1cc(F)ccc1OC(F)F ZINC000420726193 563279605 /nfs/dbraw/zinc/27/96/05/563279605.db2.gz MWCDKSJVZRDHPH-YPMHNXCESA-N 1 0 378.416 2.674 20 0 GFADRO O=S(=O)(NC1CC[NH+](CC2CC2)CC1)c1ccc(OC(F)F)c(F)c1 ZINC000279034565 563280800 /nfs/dbraw/zinc/28/08/00/563280800.db2.gz FBBGHYRAPFQUJF-UHFFFAOYSA-N 1 0 378.416 2.580 20 0 GFADRO CCc1n[nH]c(C(=O)NC[C@@H](c2cccc(OC)c2)[NH+](C)C)c1Br ZINC000279029312 563281348 /nfs/dbraw/zinc/28/13/48/563281348.db2.gz VXNGPNJFDSFMQC-AWEZNQCLSA-N 1 0 395.301 2.776 20 0 GFADRO Cc1nc(NC2CC[NH+](CC(=O)N3CCCC3)CC2)ccc1Br ZINC000371688108 563285344 /nfs/dbraw/zinc/28/53/44/563285344.db2.gz CVPRCFVSLPQOOZ-UHFFFAOYSA-N 1 0 381.318 2.651 20 0 GFADRO O=C(NC[C@@H](CO)Cc1cccc(Br)c1)C1CC[NH+](C2CC2)CC1 ZINC000279177379 563286360 /nfs/dbraw/zinc/28/63/60/563286360.db2.gz DNBDNPVCIGNHBI-HNNXBMFYSA-N 1 0 395.341 2.591 20 0 GFADRO Cc1ccc(CN(CC[NH+](C)C)S(=O)(=O)c2cnc(Cl)c(F)c2)o1 ZINC000279240560 563289152 /nfs/dbraw/zinc/28/91/52/563289152.db2.gz JZPREIZVABZLSB-UHFFFAOYSA-N 1 0 375.853 2.528 20 0 GFADRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)c1ccc(F)c(I)c1 ZINC000421713921 563320550 /nfs/dbraw/zinc/32/05/50/563320550.db2.gz UHXLWULBLGMWRK-NSHDSACASA-N 1 0 376.213 2.597 20 0 GFADRO CN(Cc1csc(-c2ccc(S(C)(=O)=O)cc2)n1)C[C@@H]1CCC[N@@H+]1C ZINC000420996896 563293415 /nfs/dbraw/zinc/29/34/15/563293415.db2.gz GJPIUSRWRGWNNI-INIZCTEOSA-N 1 0 379.551 2.740 20 0 GFADRO CN(C)C(=O)O[C@H]1CC[N@H+](CCC(=O)Nc2ccccc2Br)C1 ZINC000296583003 563293707 /nfs/dbraw/zinc/29/37/07/563293707.db2.gz DYXDOYGRKLMWRK-LBPRGKRZSA-N 1 0 384.274 2.550 20 0 GFADRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)Nc1ccc(F)cc1I ZINC000421075318 563295840 /nfs/dbraw/zinc/29/58/40/563295840.db2.gz ZBUOTXVTSLSTQP-LLVKDONJSA-N 1 0 391.228 2.988 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)c1ccc(F)cc1Br ZINC000372164969 563297687 /nfs/dbraw/zinc/29/76/87/563297687.db2.gz OHRZJUJDDDULDA-WQVCFCJDSA-N 1 0 385.277 2.912 20 0 GFADRO Cc1cc(NC(=O)C[N@@H+]2CCCC[C@H]2[C@@H]2CNC(=O)C2)ccc1Br ZINC000372337679 563302605 /nfs/dbraw/zinc/30/26/05/563302605.db2.gz DUUYYTFDVHFNPN-BBRMVZONSA-N 1 0 394.313 2.687 20 0 GFADRO C[C@@H](NC(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccc(Br)cn1 ZINC000279606493 563302780 /nfs/dbraw/zinc/30/27/80/563302780.db2.gz IYLJLWSTGZDCLZ-MGPQQGTHSA-N 1 0 399.333 2.704 20 0 GFADRO CC(C)[C@H](C(=O)NCc1noc(-c2cccc(Br)c2)n1)[NH+](C)C ZINC000279612220 563302828 /nfs/dbraw/zinc/30/28/28/563302828.db2.gz RAXJOTITFCPFAL-CQSZACIVSA-N 1 0 381.274 2.702 20 0 GFADRO C[C@@H]1CN(C(=O)c2ccc(Br)cc2F)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000372364480 563303253 /nfs/dbraw/zinc/30/32/53/563303253.db2.gz FYGXGTLFNNPGFW-CXAGYDPISA-N 1 0 398.320 2.686 20 0 GFADRO [NH3+][C@H]1CN(C(=O)c2ccncc2Br)CC[C@@H]1c1ccc(F)cc1 ZINC000296858603 563305288 /nfs/dbraw/zinc/30/52/88/563305288.db2.gz DDMKEXOPSXLHRZ-CJNGLKHVSA-N 1 0 378.245 2.940 20 0 GFADRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000421294111 563305766 /nfs/dbraw/zinc/30/57/66/563305766.db2.gz FREIFMCXRWRMOR-LLVKDONJSA-N 1 0 377.794 2.850 20 0 GFADRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000421294112 563305819 /nfs/dbraw/zinc/30/58/19/563305819.db2.gz FREIFMCXRWRMOR-NSHDSACASA-N 1 0 377.794 2.850 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)C(=O)NC1CCC([NH+](C)C)CC1 ZINC000421291644 563305860 /nfs/dbraw/zinc/30/58/60/563305860.db2.gz ZALXDVKABGBGAK-UHFFFAOYSA-N 1 0 382.302 2.685 20 0 GFADRO CN1CCC[C@]2(CC[N@H+](C[C@H](O)COc3cc(Cl)ccc3Cl)C2)C1=O ZINC000372553777 563310194 /nfs/dbraw/zinc/31/01/94/563310194.db2.gz BYHNMMGMMFRZMC-KBXCAEBGSA-N 1 0 387.307 2.677 20 0 GFADRO CN1CCC[C@@]2(CC[N@H+](C[C@@H](O)COc3cc(Cl)ccc3Cl)C2)C1=O ZINC000372553778 563310234 /nfs/dbraw/zinc/31/02/34/563310234.db2.gz BYHNMMGMMFRZMC-KDOFPFPSSA-N 1 0 387.307 2.677 20 0 GFADRO CN(CCc1ccc(Br)cc1)C(=O)[C@]1([NH3+])[C@H]2CCCO[C@@H]2C1(C)C ZINC000372565442 563311278 /nfs/dbraw/zinc/31/12/78/563311278.db2.gz BHEWNZKMZWMGGG-TXPKVOOTSA-N 1 0 395.341 2.983 20 0 GFADRO O=S(=O)(c1ccc(OC(F)F)c(F)c1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000279818958 563311421 /nfs/dbraw/zinc/31/14/21/563311421.db2.gz QJWQDQNPHNYCIC-LBPRGKRZSA-N 1 0 378.416 2.534 20 0 GFADRO Cc1nc2ccc(Br)cn2c1C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000279813338 563311886 /nfs/dbraw/zinc/31/18/86/563311886.db2.gz HWXCAVVRGNKINU-HIFRSBDPSA-N 1 0 391.313 2.962 20 0 GFADRO C[C@@H](CCNC(=O)c1ccc(S(C)(=O)=O)s1)[N@H+](C)Cc1ccccc1 ZINC000421502170 563313168 /nfs/dbraw/zinc/31/31/68/563313168.db2.gz LTPAEIAETHRQRB-AWEZNQCLSA-N 1 0 380.535 2.792 20 0 GFADRO C[C@H]([NH2+][C@H]1CCC[C@@H]1CCO)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000279996183 563318501 /nfs/dbraw/zinc/31/85/01/563318501.db2.gz FQEZPKJYLHPWOF-RBZYPMLTSA-N 1 0 381.325 2.843 20 0 GFADRO Cn1nccc1CN1C[C@@H](F)C[C@H]1C[N@H+](C)Cc1ccc(Br)o1 ZINC000280056117 563320387 /nfs/dbraw/zinc/32/03/87/563320387.db2.gz YBBOTRIVAHRTHQ-JSGCOSHPSA-N 1 0 385.281 2.820 20 0 GFADRO C[C@H](N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000280071923 563320850 /nfs/dbraw/zinc/32/08/50/563320850.db2.gz LBBORQVECRPRQV-OUAUKWLOSA-N 1 0 392.352 2.917 20 0 GFADRO C[C@H](N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000280071915 563321169 /nfs/dbraw/zinc/32/11/69/563321169.db2.gz LBBORQVECRPRQV-DCAQKATOSA-N 1 0 392.352 2.917 20 0 GFADRO C[C@H](NC[C@@H]1CC[N@@H+](C2CC2)C1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000280095530 563322335 /nfs/dbraw/zinc/32/23/35/563322335.db2.gz MSWDXMKDOCKDJB-QWRGUYRKSA-N 1 0 392.352 2.776 20 0 GFADRO Cc1nc(C(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)nn1-c1c(Cl)cccc1Cl ZINC000372922699 563322797 /nfs/dbraw/zinc/32/27/97/563322797.db2.gz SVRRHXJKGQUNCC-FZMZJTMJSA-N 1 0 380.279 2.707 20 0 GFADRO CC[NH+]1CCN(CC(=O)N2CCC[C@H]2Cc2ccccc2Br)CC1 ZINC000421920518 563324645 /nfs/dbraw/zinc/32/46/45/563324645.db2.gz NDCVORZDYYMHCD-KRWDZBQOSA-N 1 0 394.357 2.620 20 0 GFADRO Cc1nc2ccc(Br)cn2c1C(=O)N1CC[C@H]2CC[N@@H+](C)[C@H]2C1 ZINC000372986330 563325017 /nfs/dbraw/zinc/32/50/17/563325017.db2.gz ZNGCJUHSRKWGGX-OCCSQVGLSA-N 1 0 377.286 2.571 20 0 GFADRO Cn1cc([C@@H]2[C@@H](CNC(=O)c3ccoc3Br)CCC[N@@H+]2C)cn1 ZINC000373106167 563328661 /nfs/dbraw/zinc/32/86/61/563328661.db2.gz GEEKMUALINMRAT-RISCZKNCSA-N 1 0 381.274 2.589 20 0 GFADRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)C1(c2cccc(Br)c2)CC(=O)C1 ZINC000422045852 563329113 /nfs/dbraw/zinc/32/91/13/563329113.db2.gz ZJSMUYMZVRGHRW-OAHLLOKOSA-N 1 0 379.298 2.602 20 0 GFADRO COC(=O)CSCc1cccc(NC(=O)[C@@]2([NH+](C)C)CCCSC2)c1 ZINC000373165456 563330112 /nfs/dbraw/zinc/33/01/12/563330112.db2.gz HZGUVBKUPARBBG-GOSISDBHSA-N 1 0 382.551 2.859 20 0 GFADRO C[NH+]1CCC(n2ccc(NC(=O)COc3cc(Cl)cc(Cl)c3)n2)CC1 ZINC000373227973 563332456 /nfs/dbraw/zinc/33/24/56/563332456.db2.gz LEVOZUXFZZVCTG-UHFFFAOYSA-N 1 0 383.279 3.474 20 0 GFADRO COCCC[NH+]1CCC(NC(=O)NCCc2cccc(Br)c2)CC1 ZINC000297690706 563332962 /nfs/dbraw/zinc/33/29/62/563332962.db2.gz OXEXIVRQMSQHQF-UHFFFAOYSA-N 1 0 398.345 2.792 20 0 GFADRO O=C(C[NH2+]Cc1ccc(OC(F)(F)F)c(Br)c1)NCC(F)F ZINC000280377291 563334464 /nfs/dbraw/zinc/33/44/64/563334464.db2.gz VKSXSLPWRWVPNZ-UHFFFAOYSA-N 1 0 391.134 2.819 20 0 GFADRO Cc1cc(Br)cn2cc(CNC(=O)[C@@H]3CCC[N@@H+]3C3CC3)nc12 ZINC000280393375 563334880 /nfs/dbraw/zinc/33/48/80/563334880.db2.gz XYGDPKLPVRBMGR-HNNXBMFYSA-N 1 0 377.286 2.648 20 0 GFADRO C[N@@H+]1CC[C@H](CNC(=O)Nc2cnn(-c3ccccc3Br)c2)C1 ZINC000297802732 563336532 /nfs/dbraw/zinc/33/65/32/563336532.db2.gz PFBMQSURWWGBSV-GFCCVEGCSA-N 1 0 378.274 2.708 20 0 GFADRO CC[C@H]([NH2+]C[C@](C)(O)C(F)(F)F)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000280439081 563337493 /nfs/dbraw/zinc/33/74/93/563337493.db2.gz CMBIFVXIWPGRTH-AAEUAGOBSA-N 1 0 388.839 2.602 20 0 GFADRO Cn1ccnc1N1CCC(NC(=O)Cc2ccc(Br)s2)CC1 ZINC000373520009 563340751 /nfs/dbraw/zinc/34/07/51/563340751.db2.gz KWOSTZUVUBNTEI-UHFFFAOYSA-N 1 0 383.315 2.572 20 0 GFADRO C[C@@H](c1ccc(Br)cc1)N1CCN(CC[N@@H+]2CCCOCC2)CC1 ZINC000373567476 563342358 /nfs/dbraw/zinc/34/23/58/563342358.db2.gz IVHHRXQHWFYBFI-KRWDZBQOSA-N 1 0 396.373 2.850 20 0 GFADRO C[C@@H]1C[C@@H](C)N(S(=O)(=O)c2cccc(Br)c2F)C[C@@H]1C[NH3+] ZINC000422555870 563342873 /nfs/dbraw/zinc/34/28/73/563342873.db2.gz REWFFDSUGVVYLY-MXWKQRLJSA-N 1 0 379.295 2.582 20 0 GFADRO O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)[C@@H]1CCN(CC(F)(F)F)C1 ZINC000280589059 563345300 /nfs/dbraw/zinc/34/53/00/563345300.db2.gz DTCNILKQNIPZQK-KGLIPLIRSA-N 1 0 375.460 2.885 20 0 GFADRO C[C@@H]1C[N@H+](CCC(=O)Nc2ccccc2Br)C[C@@]2(CCOC2)O1 ZINC000280603491 563345621 /nfs/dbraw/zinc/34/56/21/563345621.db2.gz VJDCTCFSAFCZCF-CXAGYDPISA-N 1 0 383.286 2.658 20 0 GFADRO Cc1cccc(CNC2CC[NH+](CCN3CCOCC3)CC2)c1Br ZINC000373739335 563348840 /nfs/dbraw/zinc/34/88/40/563348840.db2.gz WQDGTDIRPWAQTP-UHFFFAOYSA-N 1 0 396.373 2.644 20 0 GFADRO C[N@@H+]1CC[C@H](CNC(=O)NCCOCC(F)F)[C@@H]1c1cccc(Cl)c1 ZINC000373759636 563349474 /nfs/dbraw/zinc/34/94/74/563349474.db2.gz WFSLFQFJVUQTDP-CJNGLKHVSA-N 1 0 375.847 2.914 20 0 GFADRO CCS(=O)(=O)c1ccc(C[NH2+]C2CCN(C(=O)OCC(C)C)CC2)s1 ZINC000280684014 563349799 /nfs/dbraw/zinc/34/97/99/563349799.db2.gz VELRDGHWNVORPX-UHFFFAOYSA-N 1 0 388.555 2.888 20 0 GFADRO C[S@@](=O)C1(C[NH2+]Cc2ncc(Br)cc2Br)CCC1 ZINC000280690775 563349952 /nfs/dbraw/zinc/34/99/52/563349952.db2.gz RNLNSOLNVCRAGP-GOSISDBHSA-N 1 0 396.148 2.997 20 0 GFADRO C[C@H](NCCC(=O)N(C)Cc1ccccc1Br)[C@H]1CCCC[NH2+]1 ZINC000422907474 563350887 /nfs/dbraw/zinc/35/08/87/563350887.db2.gz LHOLEKLGMHEAKB-WMLDXEAASA-N 1 0 382.346 2.918 20 0 GFADRO COC[C@]1(C(=O)Nc2nc3ccc(OC(F)(F)F)cc3s2)CC[NH2+]C1 ZINC000422950399 563351477 /nfs/dbraw/zinc/35/14/77/563351477.db2.gz XYLDOZKAWISFOW-AWEZNQCLSA-N 1 0 375.372 2.760 20 0 GFADRO C[C@@H]([NH3+])[C@H](Cc1ccccc1)NCCNC(=O)c1cccc(Br)c1 ZINC000422958209 563351714 /nfs/dbraw/zinc/35/17/14/563351714.db2.gz XBUYMMWGHJXWGC-KDOFPFPSSA-N 1 0 390.325 2.727 20 0 GFADRO CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000423009972 563352549 /nfs/dbraw/zinc/35/25/49/563352549.db2.gz FGSDLOWUEWGQBS-OAHLLOKOSA-N 1 0 383.945 2.741 20 0 GFADRO CC(C)(CO)[C@@H]([NH2+]CCC(=O)Nc1sccc1C(N)=O)c1cccs1 ZINC000298368851 563352554 /nfs/dbraw/zinc/35/25/54/563352554.db2.gz CUYYZVUNXHWIAM-AWEZNQCLSA-N 1 0 381.523 2.587 20 0 GFADRO CC(C)[C@@H](C(=O)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1)[C@@H](C)[NH3+] ZINC000422962889 563352628 /nfs/dbraw/zinc/35/26/28/563352628.db2.gz GZDBGPYVRKTLKP-MLGOLLRUSA-N 1 0 386.323 2.897 20 0 GFADRO C[C@@H](CNC(=O)C(=O)N1CCC2(CC[NH2+]2)CC1)c1c(Cl)cccc1Cl ZINC000422964063 563352642 /nfs/dbraw/zinc/35/26/42/563352642.db2.gz HPJCIWFGJCSVOD-LBPRGKRZSA-N 1 0 384.307 2.568 20 0 GFADRO CCS(=O)(=O)c1ccc(CNC(=O)NCCCCCCC[NH+](C)C)s1 ZINC000280779628 563353953 /nfs/dbraw/zinc/35/39/53/563353953.db2.gz KDUVPLKCYDNTRI-UHFFFAOYSA-N 1 0 389.587 2.853 20 0 GFADRO COC(=O)c1c(Br)ccc(NC(=O)NC[C@H]2CC[N@H+](C)C2)c1C ZINC000298409905 563354216 /nfs/dbraw/zinc/35/42/16/563354216.db2.gz KPBKSFFMRCETML-LLVKDONJSA-N 1 0 384.274 2.617 20 0 GFADRO C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)C(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000423085777 563354516 /nfs/dbraw/zinc/35/45/16/563354516.db2.gz KNIYQSMLYAYFOU-AGIUHOORSA-N 1 0 386.323 2.956 20 0 GFADRO Fc1cc(Br)c(CN[C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)cc1F ZINC000423106034 563355717 /nfs/dbraw/zinc/35/57/17/563355717.db2.gz JFIAWEVNWLTBPQ-XFBWCDHKSA-N 1 0 375.257 2.974 20 0 GFADRO CCOC(=O)[C@H]1NCC[C@@H]1[NH2+]CC1(c2ccc(Br)s2)CCC1 ZINC000423113125 563356375 /nfs/dbraw/zinc/35/63/75/563356375.db2.gz YMGDLMXPNSETKY-FZMZJTMJSA-N 1 0 387.343 2.816 20 0 GFADRO Cc1ccc(F)c(NC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)c1Br ZINC000280833350 563356703 /nfs/dbraw/zinc/35/67/03/563356703.db2.gz WEOXQRHNPWBVOT-OLZOCXBDSA-N 1 0 398.276 2.578 20 0 GFADRO CCOC(=O)[C@@H]1NCC[C@H]1[NH2+]CCc1ccc(Br)cc1Cl ZINC000423145597 563356989 /nfs/dbraw/zinc/35/69/89/563356989.db2.gz LNYLJJHSUDOVJB-ZIAGYGMSSA-N 1 0 375.694 2.528 20 0 GFADRO Cc1cn2c(n1)CC[C@H](NC(=O)[C@@H](C)Oc1ccc(F)cc1Br)C2 ZINC000373992723 563357868 /nfs/dbraw/zinc/35/78/68/563357868.db2.gz OGGDSKDCPNSSHJ-YPMHNXCESA-N 1 0 396.260 2.992 20 0 GFADRO Brc1cncc(Br)c1CNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423157582 563357897 /nfs/dbraw/zinc/35/78/97/563357897.db2.gz MQVGCBIMBRKOHV-ULKQDVFKSA-N 1 0 375.108 2.979 20 0 GFADRO CC(C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000423169172 563358045 /nfs/dbraw/zinc/35/80/45/563358045.db2.gz VOWWLJPTLZUQKB-GXTWGEPZSA-N 1 0 386.323 2.926 20 0 GFADRO COc1ccc(Br)cc1C[C@H](CO)CN[C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000423161698 563358051 /nfs/dbraw/zinc/35/80/51/563358051.db2.gz OCKQVIVGUOYHPS-ZQIUZPCESA-N 1 0 385.346 2.729 20 0 GFADRO CC(C)[C@H](CNS(=O)(=O)c1c(Cl)cccc1Cl)N1CC[NH+](C)CC1 ZINC000298523821 563358219 /nfs/dbraw/zinc/35/82/19/563358219.db2.gz WRZCCTRFGISHLU-HNNXBMFYSA-N 1 0 394.368 2.544 20 0 GFADRO C[C@H]([NH2+][C@H](CO)CC(C)(C)C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000280879107 563358604 /nfs/dbraw/zinc/35/86/04/563358604.db2.gz CNQFSUNQWHOTKK-JQWIXIFHSA-N 1 0 393.347 2.544 20 0 GFADRO C[C@H](N[C@H]1CCCC[C@@H]1C[NH3+])c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000423278701 563359189 /nfs/dbraw/zinc/35/91/89/563359189.db2.gz QFKUFNXFMOSYAF-RBZYPMLTSA-N 1 0 380.341 2.809 20 0 GFADRO [NH3+][C@H](CC1CCCCC1)C(=O)NC[C@H](O)COc1ccccc1Br ZINC000423254504 563359627 /nfs/dbraw/zinc/35/96/27/563359627.db2.gz YGUMXUWTZKSNDP-GOEBONIOSA-N 1 0 399.329 2.603 20 0 GFADRO CC(C)[NH+]1CCC(NC(=O)CN2CCO[C@H](c3ccc(Cl)s3)C2)CC1 ZINC000374063857 563360052 /nfs/dbraw/zinc/36/00/52/563360052.db2.gz JVSPMUKZWPUYIW-HNNXBMFYSA-N 1 0 385.961 2.764 20 0 GFADRO COC[C@@H](NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1cccc(Cl)c1F ZINC000423405352 563360277 /nfs/dbraw/zinc/36/02/77/563360277.db2.gz ZAFKGVQGSRHRJW-ZIAGYGMSSA-N 1 0 383.817 2.592 20 0 GFADRO Cc1c([C@H](C)N[C@H]2C[NH2+]CC[C@@H]2C)nnn1-c1cccc(Br)c1 ZINC000423366306 563360340 /nfs/dbraw/zinc/36/03/40/563360340.db2.gz QEFGGTWQULPKOX-MKBNYLNASA-N 1 0 378.318 2.987 20 0 GFADRO Cc1cc(Br)ccc1CN(C)C(=O)C(=O)N(C)CC[C@H]([NH3+])C(C)C ZINC000423458632 563361064 /nfs/dbraw/zinc/36/10/64/563361064.db2.gz QDHHKNVPXMRMCY-INIZCTEOSA-N 1 0 398.345 2.548 20 0 GFADRO CC[C@@H]([NH2+][C@H](C)Cc1cc(C)n[nH]1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000280930142 563361108 /nfs/dbraw/zinc/36/11/08/563361108.db2.gz RPPYZWLOCIYYFC-BDJLRTHQSA-N 1 0 384.933 2.952 20 0 GFADRO C[C@@H]1CN(C(=O)C(=O)N2CCc3cc(Cl)cc(Cl)c3[C@H]2C)CC[C@@H]1[NH3+] ZINC000423570765 563362180 /nfs/dbraw/zinc/36/21/80/563362180.db2.gz XCJHWFAHOMEPLR-HFAKWTLXSA-N 1 0 384.307 2.635 20 0 GFADRO [NH3+]C[C@@H](N[C@@H]1CCS(=O)(=O)c2ccc(Br)cc21)C1CCCC1 ZINC000423512523 563362192 /nfs/dbraw/zinc/36/21/92/563362192.db2.gz UVGOUDKTXFFLKU-HUUCEWRRSA-N 1 0 387.343 2.775 20 0 GFADRO [NH3+][C@H]1CCCN(C(=O)C(=O)N2CCC(c3cccc(Cl)c3Cl)CC2)C1 ZINC000423652166 563362705 /nfs/dbraw/zinc/36/27/05/563362705.db2.gz WXMVJLAVEDFRJY-ZDUSSCGKSA-N 1 0 384.307 2.649 20 0 GFADRO [NH3+]C[C@H]1CCN(C(=O)C(=O)N2CCC(c3c(Cl)cccc3Cl)CC2)C1 ZINC000423623789 563362917 /nfs/dbraw/zinc/36/29/17/563362917.db2.gz CEEPYPLMDFKRGV-GFCCVEGCSA-N 1 0 384.307 2.507 20 0 GFADRO C[NH2+]CCCN(C)C(=O)C(=O)N1CCC(c2ccc(Cl)cc2Cl)CC1 ZINC000423706001 563363425 /nfs/dbraw/zinc/36/34/25/563363425.db2.gz ASEXGNMROIHSAW-UHFFFAOYSA-N 1 0 386.323 2.767 20 0 GFADRO CC1(C)C[NH2+]CC[C@@H]1NC(=O)c1cn(-c2ccc(Br)cc2)cn1 ZINC000423749617 563363556 /nfs/dbraw/zinc/36/35/56/563363556.db2.gz SXMNRRXSVVJJLL-HNNXBMFYSA-N 1 0 377.286 2.753 20 0 GFADRO O=C(Cn1cc(Br)cn1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000298701998 563363856 /nfs/dbraw/zinc/36/38/56/563363856.db2.gz SKSVMXWCQBYZOK-UHFFFAOYSA-N 1 0 377.286 2.558 20 0 GFADRO O=C(c1cccc(I)c1)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000423935675 563364226 /nfs/dbraw/zinc/36/42/26/563364226.db2.gz APLOWDUCWCGOPM-UKRRQHHQSA-N 1 0 384.261 2.895 20 0 GFADRO CC1(C)CCC[NH2+][C@H]1C(=O)NCc1nc(-c2cccc(Br)c2)no1 ZINC000423924670 563364269 /nfs/dbraw/zinc/36/42/69/563364269.db2.gz DUUYXXOKMGISPL-AWEZNQCLSA-N 1 0 393.285 2.894 20 0 GFADRO O=S(=O)(N[C@@H]1CCC[NH2+]CC1)c1c(Cl)cc(F)cc1Br ZINC000374185522 563364615 /nfs/dbraw/zinc/36/46/15/563364615.db2.gz DHEAGBFNYINAIF-SECBINFHSA-N 1 0 385.686 2.662 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)N(C)[C@H](C[NH3+])C1CC1 ZINC000423944273 563364942 /nfs/dbraw/zinc/36/49/42/563364942.db2.gz HKQZWTZERYZGFH-UKRRQHHQSA-N 1 0 384.567 2.547 20 0 GFADRO Cc1csc(C(=O)N[C@@H](C[NH3+])C2CCCC2)c1I ZINC000423965858 563365671 /nfs/dbraw/zinc/36/56/71/563365671.db2.gz RMGPBPVXZWIMNT-JTQLQIEISA-N 1 0 378.279 2.908 20 0 GFADRO O=C(Cc1ccc(I)cc1)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000423983928 563366610 /nfs/dbraw/zinc/36/66/10/563366610.db2.gz VWJBNENYCOSHEI-GDBMZVCRSA-N 1 0 398.288 2.824 20 0 GFADRO CCOc1c(Br)cc(C(=O)N2CC[C@H](C)[C@H](C[NH3+])C2)cc1OC ZINC000424016023 563367199 /nfs/dbraw/zinc/36/71/99/563367199.db2.gz NMHXOFJFYDCPBE-WCQYABFASA-N 1 0 385.302 2.913 20 0 GFADRO COC(=O)c1cnc([C@@H](C)NC(=O)NC[C@H](c2cccs2)[NH+](C)C)s1 ZINC000424056951 563368438 /nfs/dbraw/zinc/36/84/38/563368438.db2.gz AOXWYQANOCCNFP-GHMZBOCLSA-N 1 0 382.511 2.654 20 0 GFADRO O=C(NCCCc1ccc(Cl)cc1Cl)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000424126812 563371751 /nfs/dbraw/zinc/37/17/51/563371751.db2.gz UHWGYWMHWGLHBO-AWEZNQCLSA-N 1 0 382.295 2.872 20 0 GFADRO CC(C)n1cncc1C[NH2+]CCNS(=O)(=O)c1cccc(Cl)c1Cl ZINC000424183691 563372630 /nfs/dbraw/zinc/37/26/30/563372630.db2.gz WHBAGKDEXQIIPM-UHFFFAOYSA-N 1 0 391.324 2.839 20 0 GFADRO C[C@H]1CC2(CN1C(=O)c1ccc(I)cc1)CC[NH2+]CC2 ZINC000424229512 563374372 /nfs/dbraw/zinc/37/43/72/563374372.db2.gz ZFESTFDTWXKDCE-LBPRGKRZSA-N 1 0 384.261 2.895 20 0 GFADRO O=C(c1csc(I)c1)N1CCC2(C1)CC[NH2+]CC2 ZINC000374513212 563374766 /nfs/dbraw/zinc/37/47/66/563374766.db2.gz IKDMIHGCVCQAJY-UHFFFAOYSA-N 1 0 376.263 2.568 20 0 GFADRO COc1c(Cl)cc(NC(=O)C(=O)N(C)CCC[NH+]2CCCC2)cc1Cl ZINC000281372420 563375425 /nfs/dbraw/zinc/37/54/25/563375425.db2.gz GODQFYWLTJESGE-UHFFFAOYSA-N 1 0 388.295 2.885 20 0 GFADRO Cc1ccc(S(=O)(=O)N2CC3(C[C@@H]2C)CC[NH2+]CC3)cc1Br ZINC000424390680 563377793 /nfs/dbraw/zinc/37/77/93/563377793.db2.gz KOXKNYPCPOKSLV-ZDUSSCGKSA-N 1 0 387.343 2.910 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)c3cnn(-c4ccc(Br)cc4)c3)C[C@@H]21 ZINC000374623003 563378244 /nfs/dbraw/zinc/37/82/44/563378244.db2.gz MMKVQPCIGAHZDS-OAUYIBNBSA-N 1 0 389.297 2.834 20 0 GFADRO C[C@H](C(=O)Nc1nccs1)N1CCC(Cn2cc(Br)cn2)CC1 ZINC000374643828 563378434 /nfs/dbraw/zinc/37/84/34/563378434.db2.gz GEROOTSWWARLHP-LLVKDONJSA-N 1 0 398.330 2.841 20 0 GFADRO Cc1ccc(C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc1I ZINC000374645035 563378754 /nfs/dbraw/zinc/37/87/54/563378754.db2.gz NAOGYALWPJTHEN-KCQAQPDRSA-N 1 0 384.261 2.799 20 0 GFADRO COc1ncc(C(=O)NCc2ccc(C[NH+](C)C)cc2)cc1Br ZINC000424533192 563381006 /nfs/dbraw/zinc/38/10/06/563381006.db2.gz CEFMUCCNJXEQRN-UHFFFAOYSA-N 1 0 378.270 2.844 20 0 GFADRO CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2cc(Cl)c(Cl)cc2F)C1 ZINC000281622990 563381129 /nfs/dbraw/zinc/38/11/29/563381129.db2.gz DXTWIKNPHZHTKX-SNVBAGLBSA-N 1 0 376.259 2.871 20 0 GFADRO COc1ncc(C(=O)NC[C@@H](c2cccs2)[NH+](C)C)cc1Br ZINC000424548073 563381469 /nfs/dbraw/zinc/38/14/69/563381469.db2.gz TWGGMDKWMQRGJG-LBPRGKRZSA-N 1 0 384.299 2.947 20 0 GFADRO COc1ccc(S(=O)(=O)N2CCC([NH2+]CCc3ccsc3)CC2)cc1 ZINC000374878031 563385079 /nfs/dbraw/zinc/38/50/79/563385079.db2.gz GXCWLAQMYIDCPE-UHFFFAOYSA-N 1 0 380.535 2.742 20 0 GFADRO COc1ncc(C(=O)N2CCC[C@H]2C[NH+]2CCCCC2)cc1Br ZINC000424649850 563385683 /nfs/dbraw/zinc/38/56/83/563385683.db2.gz XMHCOUSCYVMTPA-AWEZNQCLSA-N 1 0 382.302 2.943 20 0 GFADRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)Cc1noc2ccc(Br)cc21 ZINC000424677741 563386655 /nfs/dbraw/zinc/38/66/55/563386655.db2.gz APDQCIAHJJUGBZ-NHYWBVRUSA-N 1 0 380.286 2.931 20 0 GFADRO C[C@@H]([NH2+]C1CCN(Cc2ccsc2)CC1)c1cccc(S(N)(=O)=O)c1 ZINC000375002744 563388046 /nfs/dbraw/zinc/38/80/46/563388046.db2.gz DHYANUBXDWZLLJ-CQSZACIVSA-N 1 0 379.551 2.711 20 0 GFADRO COC(=O)c1cn([C@@H]2CCN(Cc3cnc(-c4cccs4)s3)C2)nn1 ZINC000375206696 563394935 /nfs/dbraw/zinc/39/49/35/563394935.db2.gz JGGXGXILEHTENO-LLVKDONJSA-N 1 0 375.479 2.697 20 0 GFADRO O=C(c1ccccc1I)N1CCCC2(CC[NH2+]CC2)C1 ZINC000375251937 563397321 /nfs/dbraw/zinc/39/73/21/563397321.db2.gz BVEYZDGOHPOHAR-UHFFFAOYSA-N 1 0 384.261 2.897 20 0 GFADRO O=C(NCC1(c2ccc(Br)cc2)CCOCC1)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000375260905 563397514 /nfs/dbraw/zinc/39/75/14/563397514.db2.gz SXQGHVRMBIDZIK-VQIMIIECSA-N 1 0 393.325 2.613 20 0 GFADRO CC(=O)NC1CCC([NH2+][C@@H]2CCN(c3cccc(Br)c3)C2=O)CC1 ZINC000375416685 563404091 /nfs/dbraw/zinc/40/40/91/563404091.db2.gz RJAQTVOYWALYFR-VMBOVVBDSA-N 1 0 394.313 2.591 20 0 GFADRO C[C@H]([NH2+]CCS(=O)(=O)CCc1ccccc1)c1ccc([S@@](C)=O)cc1 ZINC000282268184 563404305 /nfs/dbraw/zinc/40/43/05/563404305.db2.gz DDUSTSNGBAHMCU-UPCLLVRISA-N 1 0 379.547 2.732 20 0 GFADRO Cc1cc(C(=O)Nc2cc(Br)ccc2N(C)CC[NH+](C)C)n(C)n1 ZINC000425099295 563404436 /nfs/dbraw/zinc/40/44/36/563404436.db2.gz OTGKADIGOJMRSL-UHFFFAOYSA-N 1 0 394.317 2.741 20 0 GFADRO Cc1cc(C(=O)Nc2cc(Br)ccc2N(C)CC[NH+](C)C)nn1C ZINC000425099119 563404691 /nfs/dbraw/zinc/40/46/91/563404691.db2.gz NZPXHVOSYQREBS-UHFFFAOYSA-N 1 0 394.317 2.741 20 0 GFADRO CCn1cc(C(=O)Nc2cc(Br)ccc2N(C)CC[NH+](C)C)cn1 ZINC000425101131 563405204 /nfs/dbraw/zinc/40/52/04/563405204.db2.gz XZRZKZOLLXLRRV-UHFFFAOYSA-N 1 0 394.317 2.916 20 0 GFADRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1Nc1cnn(C)c(=O)c1Br ZINC000301504363 563405340 /nfs/dbraw/zinc/40/53/40/563405340.db2.gz CCEOFJVCTVWQSK-UKRRQHHQSA-N 1 0 391.313 2.865 20 0 GFADRO C[C@@H](CO)[N@@H+]1CCCN(Cc2ncc(-c3ccccc3Br)o2)CC1 ZINC000375494993 563407162 /nfs/dbraw/zinc/40/71/62/563407162.db2.gz MJHIOLAYEYTAAD-AWEZNQCLSA-N 1 0 394.313 2.993 20 0 GFADRO COCCn1cc(C[NH2+][C@@H](C)CC(=O)Nc2ccc(Br)cc2)cn1 ZINC000282420321 563410701 /nfs/dbraw/zinc/41/07/01/563410701.db2.gz CRTWBVMHNCIPBP-ZDUSSCGKSA-N 1 0 395.301 2.799 20 0 GFADRO COCCCn1nccc1C[NH2+]C[C@@H](CO)Cc1ccccc1Br ZINC000282541276 563415332 /nfs/dbraw/zinc/41/53/32/563415332.db2.gz BTLNDXQLCDCTKZ-HNNXBMFYSA-N 1 0 396.329 2.623 20 0 GFADRO COCCCn1nccc1C[NH2+]C[C@@H](O)COc1cccc(Cl)c1Cl ZINC000282584582 563416680 /nfs/dbraw/zinc/41/66/80/563416680.db2.gz GICVWGANTMOUDD-CQSZACIVSA-N 1 0 388.295 2.756 20 0 GFADRO COC(=O)COC[C@@H](C)[NH2+]Cc1cc(Cl)cc(I)c1 ZINC000425348511 563419110 /nfs/dbraw/zinc/41/91/10/563419110.db2.gz FKSZOFFEBWQJKK-SECBINFHSA-N 1 0 397.640 2.612 20 0 GFADRO CN(C)c1ncc(CN(CC[NH+](C)C)Cc2ccc(Br)cc2)n1C ZINC000425376487 563419551 /nfs/dbraw/zinc/41/95/51/563419551.db2.gz FLFLZPUINCQKSF-UHFFFAOYSA-N 1 0 394.361 2.812 20 0 GFADRO CN(Cc1c(Cl)cccc1Cl)C(=O)C(=O)N1CCC[C@H]2C[N@H+](C)C[C@H]21 ZINC000425377715 563419754 /nfs/dbraw/zinc/41/97/54/563419754.db2.gz ASLVUXNKJFUWQI-BLLLJJGKSA-N 1 0 384.307 2.504 20 0 GFADRO OCCOC1(C[NH2+]Cc2cc(Br)c(Cl)s2)CCOCC1 ZINC000282662332 563420236 /nfs/dbraw/zinc/42/02/36/563420236.db2.gz LYRQPQGAUJHMGW-UHFFFAOYSA-N 1 0 384.723 2.812 20 0 GFADRO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000375930497 563424304 /nfs/dbraw/zinc/42/43/04/563424304.db2.gz GJVJHLCYKNQKKQ-FZMZJTMJSA-N 1 0 391.265 2.688 20 0 GFADRO COCC(C)(C)[NH+]1CCN([C@@H](C)C(=O)Nc2ccc(Br)cc2)CC1 ZINC000425511946 563425733 /nfs/dbraw/zinc/42/57/33/563425733.db2.gz XLMIGHRFBCBJNL-AWEZNQCLSA-N 1 0 398.345 2.819 20 0 GFADRO C[NH+](C)C[C@@](C)(O)CNc1nnc(-c2cc(Br)ccc2F)s1 ZINC000302628581 563427424 /nfs/dbraw/zinc/42/74/24/563427424.db2.gz IPYZJUBJSIXXCY-AWEZNQCLSA-N 1 0 389.294 2.831 20 0 GFADRO C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+]1CC[C@H]2OCC[C@H]2C1 ZINC000376031264 563427600 /nfs/dbraw/zinc/42/76/00/563427600.db2.gz HHFVNRGJBOVGTE-JLJPHGGASA-N 1 0 381.314 2.907 20 0 GFADRO C[C@H](C(=O)Nc1cccc(Br)c1)[NH+]1CCC2(CCN(C)C2=O)CC1 ZINC000376045011 563427704 /nfs/dbraw/zinc/42/77/04/563427704.db2.gz MZLVAKPLLBUTFO-CYBMUJFWSA-N 1 0 394.313 2.720 20 0 GFADRO Cn1cc(Br)c(C(=O)N2c3ccccc3CC[C@@H]2C[NH+](C)C)n1 ZINC000425601116 563428376 /nfs/dbraw/zinc/42/83/76/563428376.db2.gz FOMYIYNGCAWTSK-CYBMUJFWSA-N 1 0 377.286 2.706 20 0 GFADRO Cc1[nH]c(=O)c(Br)cc1C(=O)N1CCC([N@H+]2CCC[C@H]2C)CC1 ZINC000376074805 563429442 /nfs/dbraw/zinc/42/94/42/563429442.db2.gz QZAYEGKYEQRUQT-LLVKDONJSA-N 1 0 382.302 2.947 20 0 GFADRO CCC[N@H+](CC)CCNC(=O)C(=O)Nc1cc(Cl)ccc1OC(F)F ZINC000425750797 563435703 /nfs/dbraw/zinc/43/57/03/563435703.db2.gz ZOEPIUSIHUCVFF-UHFFFAOYSA-N 1 0 377.819 2.728 20 0 GFADRO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1ccc(F)cc1I ZINC000311830309 563436106 /nfs/dbraw/zinc/43/61/06/563436106.db2.gz GDAIRSOAELIXFL-RNCFNFMXSA-N 1 0 376.213 2.595 20 0 GFADRO O=S(=O)(c1ccc(F)cc1Br)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000314768515 563439803 /nfs/dbraw/zinc/43/98/03/563439803.db2.gz RUTAAIGOPJEMBY-SMDDNHRTSA-N 1 0 391.306 2.741 20 0 GFADRO CCNC(=O)NC(=O)C[NH+]1CCC(c2ccc(Br)c(C)c2)CC1 ZINC000425915924 563440398 /nfs/dbraw/zinc/44/03/98/563440398.db2.gz JGFMLOZHFZALDK-UHFFFAOYSA-N 1 0 382.302 2.783 20 0 GFADRO CCOc1ccc(Br)cc1S(=O)(=O)N1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000315748474 563440673 /nfs/dbraw/zinc/44/06/73/563440673.db2.gz GEIZVGALSHOERN-YPMHNXCESA-N 1 0 391.331 2.596 20 0 GFADRO CCOc1ccc(Br)cc1S(=O)(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000316237420 563441460 /nfs/dbraw/zinc/44/14/60/563441460.db2.gz PQTHAGAINRHBJM-RYUDHWBXSA-N 1 0 391.331 2.596 20 0 GFADRO CC[N@H+](CCO)CCNC(=O)N[C@@H]1c2cc(Br)ccc2CC1(C)C ZINC000425995762 563441651 /nfs/dbraw/zinc/44/16/51/563441651.db2.gz MSQNOOROUZGGOD-MRXNPFEDSA-N 1 0 398.345 2.686 20 0 GFADRO CCN(CC[NH2+][C@H](C)c1ccc(NS(C)(=O)=O)cc1)CCC(F)(F)F ZINC000426078674 563443295 /nfs/dbraw/zinc/44/32/95/563443295.db2.gz RXWKJJWGDMZLDM-CYBMUJFWSA-N 1 0 381.464 2.983 20 0 GFADRO COCC(=O)N1CCC([NH2+][C@H](C)c2ccc(OC)c(Br)c2)CC1 ZINC000319986444 563445365 /nfs/dbraw/zinc/44/53/65/563445365.db2.gz XVAYPVXWAHAAGG-GFCCVEGCSA-N 1 0 385.302 2.746 20 0 GFADRO Cc1ccc(S(=O)(=O)N2CCC3(CC[NH2+]CC3)CC2)c(Br)c1 ZINC000319637284 563445519 /nfs/dbraw/zinc/44/55/19/563445519.db2.gz OAYFHRIQGWPGME-UHFFFAOYSA-N 1 0 387.343 2.912 20 0 GFADRO Cc1cc(NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC3)C2)cc(C)c1Br ZINC000426192744 563446471 /nfs/dbraw/zinc/44/64/71/563446471.db2.gz CIGQVZVMEGYFGU-HNNXBMFYSA-N 1 0 394.313 2.700 20 0 GFADRO OCC[C@H]1CCC[N@@H+]1C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000426259084 563447806 /nfs/dbraw/zinc/44/78/06/563447806.db2.gz ZVSKPPIXERZGMF-CHWSQXEVSA-N 1 0 378.694 2.689 20 0 GFADRO COc1ccc(C(=O)NCCC[NH2+]Cc2cccnc2)cc1Br ZINC000321301493 563448085 /nfs/dbraw/zinc/44/80/85/563448085.db2.gz MUIHVNNUKJPOOE-UHFFFAOYSA-N 1 0 378.270 2.762 20 0 GFADRO C[N@@H+]1CCC[C@H]2CN(Cc3ncc(I)s3)CC[C@H]21 ZINC000377547303 563478334 /nfs/dbraw/zinc/47/83/34/563478334.db2.gz CILSQKLEDRRRNU-WDEREUQCSA-N 1 0 377.295 2.664 20 0 GFADRO O=C(c1cccc(F)c1Br)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000322464358 563450085 /nfs/dbraw/zinc/45/00/85/563450085.db2.gz YQLKNNAEASLBCY-CYBMUJFWSA-N 1 0 385.277 2.915 20 0 GFADRO C[C@@H](O)C[C@@H]1CCCC[N@@H+]1Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000323598366 563451655 /nfs/dbraw/zinc/45/16/55/563451655.db2.gz HXGPTEFLHPHWSX-DOMZBBRYSA-N 1 0 380.286 2.582 20 0 GFADRO O=S(=O)(c1ccc(OC(F)F)c(Cl)c1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000326753074 563456062 /nfs/dbraw/zinc/45/60/62/563456062.db2.gz IXHSOLUTRJVUJJ-PHIMTYICSA-N 1 0 380.844 2.562 20 0 GFADRO O=C(c1cc(Cl)c[nH]1)N1CCC([NH2+][C@@H]2CCO[C@H](C(F)(F)F)C2)CC1 ZINC000376902682 563457173 /nfs/dbraw/zinc/45/71/73/563457173.db2.gz JUDMJZMKSLLCAJ-OCCSQVGLSA-N 1 0 379.810 2.972 20 0 GFADRO O=S(=O)(c1ccccc1OC(F)(F)F)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000327741377 563459196 /nfs/dbraw/zinc/45/91/96/563459196.db2.gz NYGXGPRQKAGVIO-QWHCGFSZSA-N 1 0 378.416 2.880 20 0 GFADRO CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)N1CCc2c(Br)cccc2C1 ZINC000377009357 563460403 /nfs/dbraw/zinc/46/04/03/563460403.db2.gz GYYVMSLDHVKURU-GMBSWORKSA-N 1 0 393.325 2.866 20 0 GFADRO Cc1cc(Br)cn2c(C[NH2+][C@@H](CO)C[C@H](O)C(C)(C)C)cnc12 ZINC000283960160 563460436 /nfs/dbraw/zinc/46/04/36/563460436.db2.gz KOUGJBZUINAXFH-HIFRSBDPSA-N 1 0 384.318 2.653 20 0 GFADRO [NH3+]C[C@@H]1Cc2ccccc2N(S(=O)(=O)c2ccc(Br)cc2)C1 ZINC000328562865 563460782 /nfs/dbraw/zinc/46/07/82/563460782.db2.gz INLBPGKBIIGCOZ-LBPRGKRZSA-N 1 0 381.295 2.775 20 0 GFADRO CC1(C)[C@@H]2OCCC[C@H]2[C@]1([NH3+])C(=O)N1CCc2c(Br)cccc2C1 ZINC000377009359 563460758 /nfs/dbraw/zinc/46/07/58/563460758.db2.gz GYYVMSLDHVKURU-OGWOLHLISA-N 1 0 393.325 2.866 20 0 GFADRO CN(CCOc1ccc(Br)cc1)C[C@@H]1CCCS(=O)(=O)C1 ZINC000283996342 563461006 /nfs/dbraw/zinc/46/10/06/563461006.db2.gz GLUHKURJHOSGNK-ZDUSSCGKSA-N 1 0 376.316 2.585 20 0 GFADRO O[C@@H]1CCOC[C@H]1[C@@H]1CCC[N@@H+]1Cc1cc2c(c(Br)c1)OCO2 ZINC000328693441 563463329 /nfs/dbraw/zinc/46/33/29/563463329.db2.gz COIMXTYXTOUGHB-AEGPPILISA-N 1 0 384.270 2.540 20 0 GFADRO Cc1ccc(S(=O)(=O)N2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)s1 ZINC000427277247 563464901 /nfs/dbraw/zinc/46/49/01/563464901.db2.gz RLYLPYMRWAETCS-GASCZTMLSA-N 1 0 386.583 2.957 20 0 GFADRO CN(CC(F)(F)Br)C(=O)C1CC[NH+](Cc2cccnc2)CC1 ZINC000377161259 563465153 /nfs/dbraw/zinc/46/51/53/563465153.db2.gz FQYLUNVFAWZEJA-UHFFFAOYSA-N 1 0 376.245 2.740 20 0 GFADRO Cc1nc(NC(=O)C(=O)NC[C@H]2CC[N@@H+](C)[C@H]2c2cccs2)sc1C ZINC000377209085 563466639 /nfs/dbraw/zinc/46/66/39/563466639.db2.gz VIDGTDALVREVDW-TZMCWYRMSA-N 1 0 378.523 2.569 20 0 GFADRO O[C@@]1(Cn2ccnn2)CCC[N@@H+]([C@H]2CCCc3ccc(Br)cc32)C1 ZINC000328953640 563468696 /nfs/dbraw/zinc/46/86/96/563468696.db2.gz OFDXHEIEKIJUNI-ROUUACIJSA-N 1 0 391.313 2.945 20 0 GFADRO C[C@H]1OCC[C@@]12CN(Cc1cc(Br)c3c(c1)OCCO3)CCO2 ZINC000377272230 563469440 /nfs/dbraw/zinc/46/94/40/563469440.db2.gz ANIUJRSNGLSZIT-SJKOYZFVSA-N 1 0 384.270 2.600 20 0 GFADRO O=C(Nc1ccn(-c2ccc(Cl)cc2Cl)n1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000329092835 563472443 /nfs/dbraw/zinc/47/24/43/563472443.db2.gz AUEVRVDZTNGTGG-ZDUSSCGKSA-N 1 0 380.279 3.491 20 0 GFADRO CN(Cc1ccc(Br)c(F)c1)C(=O)C[N@H+](C)[C@@H]1CCSC1 ZINC000427735121 563472897 /nfs/dbraw/zinc/47/28/97/563472897.db2.gz HMNGLSSYKICWFH-GFCCVEGCSA-N 1 0 375.307 2.984 20 0 GFADRO C[C@H]1C[C@H](NC(=O)c2cc(Br)cnc2OCC2CC2)CC[N@@H+]1C ZINC000329152738 563474205 /nfs/dbraw/zinc/47/42/05/563474205.db2.gz BKQYQFYKIBBLMD-SMDDNHRTSA-N 1 0 382.302 2.845 20 0 GFADRO Cc1c(Br)cccc1S(=O)(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000427781352 563475084 /nfs/dbraw/zinc/47/50/84/563475084.db2.gz IHGABAHAMHKCSQ-HIFRSBDPSA-N 1 0 387.343 2.862 20 0 GFADRO COC(=O)c1ccc(CN2CCOC3(CCOCC3)C2)c(Br)c1 ZINC000284466116 563476467 /nfs/dbraw/zinc/47/64/67/563476467.db2.gz VMGXYCYFASWGIQ-UHFFFAOYSA-N 1 0 384.270 2.617 20 0 GFADRO CCS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2nc3c(s2)C[C@@H]([NH3+])CC3)c1 ZINC000377580390 563480058 /nfs/dbraw/zinc/48/00/58/563480058.db2.gz BSJFQYIWSYKDGG-VIFPVBQESA-N 1 0 399.925 2.658 20 0 GFADRO Cc1ccc(C[NH2+][C@@H]2CCC(=O)N(C)[C@H]2c2ccnn2C)cc1Br ZINC000284600042 563482222 /nfs/dbraw/zinc/48/22/22/563482222.db2.gz QWONHPZHELAFAG-CRAIPNDOSA-N 1 0 391.313 2.943 20 0 GFADRO O=C1NC[C@@H]2C[N@H+](Cc3ncc(-c4ccc(Br)cc4)o3)CC[C@@H]12 ZINC000377668099 563482252 /nfs/dbraw/zinc/48/22/52/563482252.db2.gz KMDYOZLYFAFIDJ-TZMCWYRMSA-N 1 0 376.254 2.672 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)c1n[nH]c2ccc(I)cc21 ZINC000428126716 563483345 /nfs/dbraw/zinc/48/33/45/563483345.db2.gz UNTUEBPNPHKYDC-TVQRCGJNSA-N 1 0 398.248 2.509 20 0 GFADRO CC[NH+]1CCN(CC(=O)NC(C)(C)c2ccc(Br)c(C)c2)CC1 ZINC000428141604 563484145 /nfs/dbraw/zinc/48/41/45/563484145.db2.gz NWWKRCSQCSOKTO-UHFFFAOYSA-N 1 0 382.346 2.746 20 0 GFADRO O=C1NC[C@@H]2C[N@H+](Cc3coc(-c4ccc(Br)cc4)n3)CC[C@H]12 ZINC000377733244 563484942 /nfs/dbraw/zinc/48/49/42/563484942.db2.gz UMPIRQAHPHJQTL-DOMZBBRYSA-N 1 0 376.254 2.672 20 0 GFADRO CCS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)c1 ZINC000377808683 563487192 /nfs/dbraw/zinc/48/71/92/563487192.db2.gz ZILDZGOVJQYIBE-CQSZACIVSA-N 1 0 384.929 2.595 20 0 GFADRO C[N@@H+]1C[C@@H]2CN(S(=O)(=O)c3ccc(Cl)nc3)C[C@H]2[C@@H]1c1ccccc1 ZINC000377842409 563488416 /nfs/dbraw/zinc/48/84/16/563488416.db2.gz DCIUBYSOLVVXKF-KYJSFNMBSA-N 1 0 377.897 2.658 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)Nc1cccc(Br)n1 ZINC000284741263 563489112 /nfs/dbraw/zinc/48/91/12/563489112.db2.gz KUMFNOMVWVGAJP-CYBMUJFWSA-N 1 0 397.317 2.553 20 0 GFADRO O=C(Nc1nnc(-c2ccc(Cl)cc2F)s1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000329909698 563490812 /nfs/dbraw/zinc/49/08/12/563490812.db2.gz MREQXTVXNZUHCP-NSHDSACASA-N 1 0 381.864 3.310 20 0 GFADRO Cn1cc(Br)cc1C(=O)Nc1cccc(C[N@@H+]2CC[C@H](O)C2)c1 ZINC000428537743 563494471 /nfs/dbraw/zinc/49/44/71/563494471.db2.gz OOLSXVPEQUMOPG-HNNXBMFYSA-N 1 0 378.270 2.607 20 0 GFADRO O=S(=O)(c1ccc(Br)s1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000378048327 563494643 /nfs/dbraw/zinc/49/46/43/563494643.db2.gz DTSZCJNVEKLEHF-NSHDSACASA-N 1 0 379.345 2.521 20 0 GFADRO O=C(CC[N@H+]1CCOC[C@@H]1[C@@H]1CCC[C@H]1O)Nc1ccccc1Br ZINC000285037060 563499991 /nfs/dbraw/zinc/49/99/91/563499991.db2.gz ZZTWZSITZFJPJN-IAOVAPTHSA-N 1 0 397.313 2.640 20 0 GFADRO O=C(CC[N@H+]1CCOC[C@@H]1[C@H]1CCC[C@H]1O)Nc1ccccc1Br ZINC000285037063 563500303 /nfs/dbraw/zinc/50/03/03/563500303.db2.gz ZZTWZSITZFJPJN-KBRIMQKVSA-N 1 0 397.313 2.640 20 0 GFADRO C[C@@H]([NH2+][C@@H]1CCN(c2ccccc2C(N)=O)C1)c1ncc(Br)s1 ZINC000378271272 563500403 /nfs/dbraw/zinc/50/04/03/563500403.db2.gz MHZPOXLWXPGWLH-GHMZBOCLSA-N 1 0 395.326 2.934 20 0 GFADRO Cc1cc(COc2ccc(C(=O)NC3CC[NH2+]CC3)cc2Br)no1 ZINC000428727107 563500482 /nfs/dbraw/zinc/50/04/82/563500482.db2.gz BJMXEOZLOQCCQL-UHFFFAOYSA-N 1 0 394.269 2.806 20 0 GFADRO Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](C[C@H]3CCCO3)C[C@H]2C)c(Br)n1 ZINC000378282100 563501147 /nfs/dbraw/zinc/50/11/47/563501147.db2.gz LPSHMULQCIOYME-XNRPHZJLSA-N 1 0 396.329 2.772 20 0 GFADRO C[C@H]([NH2+][C@@H](CO)c1ccc(Br)cc1)C(=O)NCc1ccccc1F ZINC000428797252 563501908 /nfs/dbraw/zinc/50/19/08/563501908.db2.gz PQWMVIBCYSDFKW-SJCJKPOMSA-N 1 0 395.272 2.916 20 0 GFADRO C[C@H]([NH2+][C@@H](CO)c1ccc(Br)cc1)C(=O)NCc1ccc(F)cc1 ZINC000428816149 563503015 /nfs/dbraw/zinc/50/30/15/563503015.db2.gz HPZKUGUOSAEPDS-SJCJKPOMSA-N 1 0 395.272 2.916 20 0 GFADRO C[C@@H]1CN(C(=O)c2cc(F)ccc2Br)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000378321177 563503059 /nfs/dbraw/zinc/50/30/59/563503059.db2.gz WVNXZYHHPXJDHL-DYVFJYSZSA-N 1 0 398.320 2.686 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCC[C@@H]1C)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000330393463 563503297 /nfs/dbraw/zinc/50/32/97/563503297.db2.gz CCJBLYVHEXMHEO-SLEUVZQESA-N 1 0 387.933 2.696 20 0 GFADRO Cc1c(Br)cccc1S(=O)(=O)N1CCC[C@@H]([NH+](C)C)CC1 ZINC000428868122 563503850 /nfs/dbraw/zinc/50/38/50/563503850.db2.gz SZCJHKIXMIUKOO-CYBMUJFWSA-N 1 0 375.332 2.862 20 0 GFADRO Cc1cccc(C(=O)N2CCN(C3CC[NH+](C)CC3)[C@H](C)C2)c1Br ZINC000378369965 563504581 /nfs/dbraw/zinc/50/45/81/563504581.db2.gz LBZUZDMUTPEDIV-OAHLLOKOSA-N 1 0 394.357 2.998 20 0 GFADRO C[C@@H]1CN(C(=O)c2cc(F)ccc2Br)CCN1C1CC[NH+](C)CC1 ZINC000378368090 563504706 /nfs/dbraw/zinc/50/47/06/563504706.db2.gz UHFYJPSHGMPHQN-CYBMUJFWSA-N 1 0 398.320 2.829 20 0 GFADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc(F)c(I)c3)C[C@H]21 ZINC000378457949 563507883 /nfs/dbraw/zinc/50/78/83/563507883.db2.gz FGAGHGFUFRFISB-QMTHXVAHSA-N 1 0 388.224 2.597 20 0 GFADRO C[C@@H]1CCCN(C(=O)c2cnc(Sc3nccn3C)c(Cl)c2)[C@@H]1C[NH3+] ZINC000429160365 563510623 /nfs/dbraw/zinc/51/06/23/563510623.db2.gz HCNGAYLQACTGCL-BXUZGUMPSA-N 1 0 379.917 2.819 20 0 GFADRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+][C@H](C)C(=O)Nc1ccc(Br)c(C)c1 ZINC000330596724 563512783 /nfs/dbraw/zinc/51/27/83/563512783.db2.gz YLMJLZCOWIRODZ-UXIGCNINSA-N 1 0 382.302 2.589 20 0 GFADRO COC(=O)c1sccc1S(=O)(=O)NCC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000330601707 563513142 /nfs/dbraw/zinc/51/31/42/563513142.db2.gz GSYQSOAZTAKPRV-CHWSQXEVSA-N 1 0 388.555 2.570 20 0 GFADRO Cc1cc(CC(C)(C)[NH2+]CCC(=O)N2CCOCC2)ccc1Br ZINC000429248065 563513213 /nfs/dbraw/zinc/51/32/13/563513213.db2.gz UMDJEBSGPULYNW-UHFFFAOYSA-N 1 0 383.330 2.917 20 0 GFADRO C[C@H]([NH2+][C@H]1CCCC[C@H]1NS(C)(=O)=O)c1cccc(Br)c1 ZINC000330614525 563514277 /nfs/dbraw/zinc/51/42/77/563514277.db2.gz SWFBEIHCDLPNKR-TUKIKUTGSA-N 1 0 375.332 2.960 20 0 GFADRO C[C@@H](NC(=O)c1ccc(Br)cc1)C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000429327569 563514831 /nfs/dbraw/zinc/51/48/31/563514831.db2.gz KPJPHIMWGWLGOK-WBMJQRKESA-N 1 0 396.329 2.591 20 0 GFADRO Cc1cc(COc2ccc(C(=O)N(C)[C@@H](C)C[NH3+])cc2Br)on1 ZINC000429323561 563514840 /nfs/dbraw/zinc/51/48/40/563514840.db2.gz XJNBSIFSWXFUOF-NSHDSACASA-N 1 0 382.258 2.744 20 0 GFADRO CC(C)OCC[NH+]1CCC(NC(=O)Nc2cc(Br)ccn2)CC1 ZINC000285340743 563516011 /nfs/dbraw/zinc/51/60/11/563516011.db2.gz WHHHDKCVJQQHTL-UHFFFAOYSA-N 1 0 385.306 2.855 20 0 GFADRO C[C@@H]1CN(C(C)(C)C[NH2+]Cc2c(Cl)cccc2S(C)(=O)=O)C[C@H](C)O1 ZINC000330667678 563516753 /nfs/dbraw/zinc/51/67/53/563516753.db2.gz UANPOVLZARODNG-OKILXGFUSA-N 1 0 388.961 2.721 20 0 GFADRO COc1cc(Cl)c(S(=O)(=O)N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)cc1OC ZINC000285389083 563518074 /nfs/dbraw/zinc/51/80/74/563518074.db2.gz SGIMVYSWTSCQIG-QWHCGFSZSA-N 1 0 388.917 2.605 20 0 GFADRO Cc1sc(Br)cc1S(=O)(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000384994920 563518097 /nfs/dbraw/zinc/51/80/97/563518097.db2.gz ZLEPHVNOYSVTDV-UHFFFAOYSA-N 1 0 393.372 2.973 20 0 GFADRO C[N@@H+]1CC[C@@]2(CCN(C(=O)c3csc(I)c3)C2)C1 ZINC000386668860 563518492 /nfs/dbraw/zinc/51/84/92/563518492.db2.gz WLTHBWRZLQNRDJ-CYBMUJFWSA-N 1 0 376.263 2.521 20 0 GFADRO C[NH+]1CCN(CCNC(=O)c2cccc3cccc(Br)c32)CC1 ZINC000285399133 563518864 /nfs/dbraw/zinc/51/88/64/563518864.db2.gz JWJQPGQYTSVWPV-UHFFFAOYSA-N 1 0 376.298 2.580 20 0 GFADRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(C)(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000330747287 563519621 /nfs/dbraw/zinc/51/96/21/563519621.db2.gz WWEFJSRXVIVMMP-CQSZACIVSA-N 1 0 386.945 2.693 20 0 GFADRO CC(C)[NH+](CCN(C)S(=O)(=O)c1ccc(Br)cn1)C(C)C ZINC000330765495 563520120 /nfs/dbraw/zinc/52/01/20/563520120.db2.gz TTYUBVMBLDJYKT-UHFFFAOYSA-N 1 0 378.336 2.583 20 0 GFADRO CC[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)C1 ZINC000330787007 563521732 /nfs/dbraw/zinc/52/17/32/563521732.db2.gz WMTHYBWTDVRHHD-NSHDSACASA-N 1 0 382.860 2.952 20 0 GFADRO C[C@@H](CNC(=O)c1cccc2cccc(Br)c21)N1CC[NH+](C)CC1 ZINC000285512511 563524532 /nfs/dbraw/zinc/52/45/32/563524532.db2.gz JUUWDVDPNVQGBU-AWEZNQCLSA-N 1 0 390.325 2.968 20 0 GFADRO COc1ccc(NC(=O)C[C@H](C)[NH2+]CCn2cc(Br)cn2)cc1 ZINC000285533731 563525773 /nfs/dbraw/zinc/52/57/73/563525773.db2.gz CTISJHOUYPRQSJ-LBPRGKRZSA-N 1 0 381.274 2.661 20 0 GFADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)NC2CC[NH+](C(C)(C)C)CC2)c1 ZINC000330899308 563526216 /nfs/dbraw/zinc/52/62/16/563526216.db2.gz PVGLIWVRSPCMMI-UHFFFAOYSA-N 1 0 388.917 2.668 20 0 GFADRO O=C(NCC[N@H+]1CC=CCC1)c1cc(Cl)ccc1I ZINC000392820403 563527699 /nfs/dbraw/zinc/52/76/99/563527699.db2.gz PWJUVOSYUMYRDL-UHFFFAOYSA-N 1 0 390.652 2.936 20 0 GFADRO O=C(C[C@H]1C[NH2+]CCO1)NCC1(c2ccc(Br)cc2)CCCC1 ZINC000429995350 563530968 /nfs/dbraw/zinc/53/09/68/563530968.db2.gz YWVDYIJXPDOIBL-INIZCTEOSA-N 1 0 381.314 2.756 20 0 GFADRO C[C@@H]1C[C@@H](C)N(S(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)C[C@@H]1C[NH3+] ZINC000397250779 563531889 /nfs/dbraw/zinc/53/18/89/563531889.db2.gz GQRSOKHTQSCTBL-MXWKQRLJSA-N 1 0 382.860 2.935 20 0 GFADRO C[C@H](Cc1ccc(Br)cc1)C(=O)N1C[C@H](N2CCOCC2)C[C@H]1C ZINC000285685073 563532599 /nfs/dbraw/zinc/53/25/99/563532599.db2.gz GOLMLMANHKNSAD-IIDMSEBBSA-N 1 0 395.341 2.949 20 0 GFADRO C[NH2+]Cc1ccccc1CNS(=O)(=O)c1ccc(Br)c(C)c1 ZINC000404566957 563536834 /nfs/dbraw/zinc/53/68/34/563536834.db2.gz DBPIAJYBQNQDTR-UHFFFAOYSA-N 1 0 383.311 2.955 20 0 GFADRO C[NH+](C)C[C@@H]1CCCCN1S(=O)(=O)c1ccc(Br)c(F)c1 ZINC000405106530 563537586 /nfs/dbraw/zinc/53/75/86/563537586.db2.gz YWQSNQDBYJGYSA-NSHDSACASA-N 1 0 379.295 2.693 20 0 GFADRO CS(=O)(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(F)cc(Br)c1 ZINC000331151482 563537759 /nfs/dbraw/zinc/53/77/59/563537759.db2.gz BXABHIYLJACGIZ-ZIAGYGMSSA-N 1 0 379.295 2.538 20 0 GFADRO CN1CCC([NH+]2CCC(NC(=O)c3cscc3Br)CC2)CC1 ZINC000285901495 563541923 /nfs/dbraw/zinc/54/19/23/563541923.db2.gz GXASNJAVJVLAPN-UHFFFAOYSA-N 1 0 386.359 2.799 20 0 GFADRO C[N@@H+]1CCN(C(=O)c2cc(=O)[nH]c3ccc(Br)cc32)C(C)(C)C1 ZINC000408050517 563542641 /nfs/dbraw/zinc/54/26/41/563542641.db2.gz JZMCBKIMSPIEMI-UHFFFAOYSA-N 1 0 378.270 2.869 20 0 GFADRO CC[NH+](CC)CCSCC(=O)N[C@H](C)c1ccc(S(=O)(=O)CC)cc1 ZINC000285949842 563543141 /nfs/dbraw/zinc/54/31/41/563543141.db2.gz GHCLRWMCROXJBI-OAHLLOKOSA-N 1 0 386.583 2.732 20 0 GFADRO CC[NH+](CC)CC1CCN(C(=O)Cc2cc[nH]c(=O)c2Br)CC1 ZINC000331324271 563545716 /nfs/dbraw/zinc/54/57/16/563545716.db2.gz MXHAQVRMBMGLGA-UHFFFAOYSA-N 1 0 384.318 2.673 20 0 GFADRO C[C@H](Cc1ccncc1)[NH2+][C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430724925 563548191 /nfs/dbraw/zinc/54/81/91/563548191.db2.gz WDLUSRQNXCEGNG-NEPJUHHUSA-N 1 0 398.326 2.773 20 0 GFADRO CCCN(Cc1nc(Cc2cccc(Br)c2)no1)[C@H]1CC[NH2+]C1 ZINC000430945403 563550839 /nfs/dbraw/zinc/55/08/39/563550839.db2.gz XCWGLBBYPHDBEM-HNNXBMFYSA-N 1 0 379.302 2.997 20 0 GFADRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)Nc1nnc(-c2c(F)cccc2Cl)s1 ZINC000408342329 563551680 /nfs/dbraw/zinc/55/16/80/563551680.db2.gz KBBMJWUEJVMAMB-NXEZZACHSA-N 1 0 383.880 3.554 20 0 GFADRO O=S(=O)(c1ccc(Cl)c(Br)c1)N1CCC2(CC[NH2+]C2)CC1 ZINC000431039563 563552425 /nfs/dbraw/zinc/55/24/25/563552425.db2.gz XRONBTNOABJKBP-UHFFFAOYSA-N 1 0 393.734 2.867 20 0 GFADRO Cc1cc(C(=O)NCC[N@@H+](C)C2CC2)nn1-c1ccc(Br)cc1 ZINC000431164708 563555173 /nfs/dbraw/zinc/55/51/73/563555173.db2.gz YZTSPCSKHPRJKU-UHFFFAOYSA-N 1 0 377.286 2.767 20 0 GFADRO OC[C@@H]1C[N@H+](C[C@H](O)c2ccc(Br)cc2)CC[C@H]1C(F)(F)F ZINC000286325317 563556494 /nfs/dbraw/zinc/55/64/94/563556494.db2.gz DMDYLAMMJSFPTL-YUTCNCBUSA-N 1 0 382.220 2.975 20 0 GFADRO COC(=O)c1csc(S(=O)(=O)N2CCC[C@H]([NH+]3[C@H](C)CC[C@H]3C)C2)c1 ZINC000409469506 563561398 /nfs/dbraw/zinc/56/13/98/563561398.db2.gz NHBZHSOFHIXFAR-NFAWXSAZSA-N 1 0 386.539 2.561 20 0 GFADRO O=C(NCCNc1cc[nH+]cc1)[C@H]1C[C@@]12CCc1cc(Br)ccc12 ZINC000409482186 563561921 /nfs/dbraw/zinc/56/19/21/563561921.db2.gz FKVYCULDQHFVGF-IEBWSBKVSA-N 1 0 386.293 2.698 20 0 GFADRO C[C@@H]1[C@@H](c2ccc(Br)cc2)OCCN1C(=O)NC1CC[NH2+]CC1 ZINC000331835868 563563872 /nfs/dbraw/zinc/56/38/72/563563872.db2.gz KBHRALXUCLHOEW-WBMJQRKESA-N 1 0 382.302 2.673 20 0 GFADRO C[C@H]1[C@@H](c2ccc(Br)cc2)OCCN1C(=O)NC1CC[NH2+]CC1 ZINC000331835862 563564219 /nfs/dbraw/zinc/56/42/19/563564219.db2.gz KBHRALXUCLHOEW-LRDDRELGSA-N 1 0 382.302 2.673 20 0 GFADRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2nc3ccc(Br)cn3n2)C1 ZINC000331861824 563564978 /nfs/dbraw/zinc/56/49/78/563564978.db2.gz BLCLVBICGNTJEB-GFCCVEGCSA-N 1 0 394.317 2.732 20 0 GFADRO COc1cc(/C=C/C(=O)N2CC[C@H]3CC[N@H+](C)C[C@H]32)cc(Br)c1O ZINC000286563051 563565338 /nfs/dbraw/zinc/56/53/38/563565338.db2.gz XVQXURWCSORNJD-PRXHZCDDSA-N 1 0 395.297 2.729 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)Cc1ccc(Br)cc1O)Cc1ccccc1 ZINC000431682725 563566646 /nfs/dbraw/zinc/56/66/46/563566646.db2.gz VAFQVCQEWHAZKU-QGZVFWFLSA-N 1 0 391.309 2.986 20 0 GFADRO CN(CCC[N@H+](C)Cc1ccco1)C(=O)Cc1cc[nH]c(=O)c1Br ZINC000286619058 563568005 /nfs/dbraw/zinc/56/80/05/563568005.db2.gz LTIDVTFELSERPD-UHFFFAOYSA-N 1 0 396.285 2.666 20 0 GFADRO Cc1c([C@H]2OCC[C@@H]2[NH2+]Cc2nc3cc(Br)ccc3[nH]2)cnn1C ZINC000431936526 563571156 /nfs/dbraw/zinc/57/11/56/563571156.db2.gz IZXJXCGHEKDVPE-WMLDXEAASA-N 1 0 390.285 2.987 20 0 GFADRO Cc1c([C@H]2OCC[C@@H]2[NH2+]CCOc2cccc(Br)c2)cnn1C ZINC000431963363 563572078 /nfs/dbraw/zinc/57/20/78/563572078.db2.gz KEFLXMYWIKVEMM-DLBZAZTESA-N 1 0 380.286 2.990 20 0 GFADRO C[NH+](C)C[C@H]1CCCN1C(=O)c1cc(=O)[nH]c2c(Br)cccc12 ZINC000332017750 563572283 /nfs/dbraw/zinc/57/22/83/563572283.db2.gz RWSNMCIWFIMGOV-LLVKDONJSA-N 1 0 378.270 2.869 20 0 GFADRO CC[N@@H+]1CCC[C@@H](CNC(=O)C[C@@H]2Sc3ccc(Cl)cc3NC2=O)C1 ZINC000409973673 563576735 /nfs/dbraw/zinc/57/67/35/563576735.db2.gz HWZCGVXRKALVSJ-LRDDRELGSA-N 1 0 381.929 2.991 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N2CCc3c(Cl)cc(Cl)cc3[C@H]2C)C1 ZINC000332106152 563577136 /nfs/dbraw/zinc/57/71/36/563577136.db2.gz ARDUOYBOBSEMAZ-TUAOUCFPSA-N 1 0 384.307 2.635 20 0 GFADRO Fc1ccc(C[NH2+]CCN2CCN(c3ncccn3)CC2)c(Cl)c1Cl ZINC000432228725 563577332 /nfs/dbraw/zinc/57/73/32/563577332.db2.gz LOBVDUVJLZEVRO-UHFFFAOYSA-N 1 0 384.286 2.834 20 0 GFADRO C[N@@H+]1CC[C@H](CNC(=O)c2cnc3c(Cl)cc(Br)cc3c2O)C1 ZINC000332142520 563578949 /nfs/dbraw/zinc/57/89/49/563578949.db2.gz QAWUCTWXVRWVJX-SECBINFHSA-N 1 0 398.688 2.626 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH2+][C@@H]1CC(=O)N(C)C1 ZINC000332165426 563580716 /nfs/dbraw/zinc/58/07/16/563580716.db2.gz JYPAJOLOEHXHSQ-CQSZACIVSA-N 1 0 377.286 2.572 20 0 GFADRO C[C@H]1C[N@H+](CCCNS(=O)(=O)Cc2c(Cl)cccc2Cl)CCCO1 ZINC000432337561 563581264 /nfs/dbraw/zinc/58/12/64/563581264.db2.gz RWVOHCUIMXETTA-ZDUSSCGKSA-N 1 0 395.352 2.914 20 0 GFADRO C[C@@H]([NH2+]C[C@@H]1CCCS(=O)(=O)C1)c1ccc(I)cc1 ZINC000286952740 563581719 /nfs/dbraw/zinc/58/17/19/563581719.db2.gz HMFYBIFBWGIESR-NEPJUHHUSA-N 1 0 393.290 2.767 20 0 GFADRO CC[C@@H]([NH2+]C1CC(c2cccc(Br)c2)C1)C(=O)N1CCOCC1 ZINC000432406865 563583734 /nfs/dbraw/zinc/58/37/34/563583734.db2.gz JCGRRAADQAEFOZ-BDVYOWHSSA-N 1 0 381.314 2.922 20 0 GFADRO Cc1cc(C(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)nn1-c1ccc(Br)cc1 ZINC000432536404 563587033 /nfs/dbraw/zinc/58/70/33/563587033.db2.gz UUTNJLSTIGLVBZ-XHDPSFHLSA-N 1 0 377.286 2.671 20 0 GFADRO Cc1cc(NC(=O)C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)ccc1Br ZINC000332253088 563587560 /nfs/dbraw/zinc/58/75/60/563587560.db2.gz CSTYWBRVBAFGSJ-HNNXBMFYSA-N 1 0 394.313 2.783 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000332256513 563588403 /nfs/dbraw/zinc/58/84/03/563588403.db2.gz DNNGZBYQONNBCO-HNNXBMFYSA-N 1 0 394.313 2.783 20 0 GFADRO C[C@H](N[C@@H](C)C(F)(F)F)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000287186280 563591247 /nfs/dbraw/zinc/59/12/47/563591247.db2.gz CXRRATCIIODGKT-STQMWFEESA-N 1 0 381.464 2.518 20 0 GFADRO Cc1cc2cc(C(=O)NC[C@@](C)(O)CC[NH+](C)C)oc2c(Br)c1 ZINC000432782134 563593291 /nfs/dbraw/zinc/59/32/91/563593291.db2.gz VOPPJIYNAXYGFL-KRWDZBQOSA-N 1 0 383.286 2.936 20 0 GFADRO COc1c[nH+]ccc1N1CCN(C(=O)c2nc(C)sc2Br)CC1 ZINC000410804348 563596726 /nfs/dbraw/zinc/59/67/26/563596726.db2.gz GDAVSXXFTCRBOM-UHFFFAOYSA-N 1 0 397.298 2.580 20 0 GFADRO C[N@H+](C[C@H](O)COc1ccc(Br)cc1)C[C@@H](O)Cc1ccccc1 ZINC000433045089 563600926 /nfs/dbraw/zinc/60/09/26/563600926.db2.gz DEKFLDSUUQMCRO-ROUUACIJSA-N 1 0 394.309 2.724 20 0 GFADRO COc1cc(I)ccc1NC(=O)C12CCC[NH+]1CCC2 ZINC000411014747 563602213 /nfs/dbraw/zinc/60/22/13/563602213.db2.gz WIJZGPRGMUBLHD-UHFFFAOYSA-N 1 0 386.233 2.867 20 0 GFADRO C[C@@H]1C[C@H](C)N(C(=O)c2cc(Br)c3c(c2)OCCO3)C[C@H]1C[NH3+] ZINC000332523542 563603712 /nfs/dbraw/zinc/60/37/12/563603712.db2.gz NLTYIXQCIRPRNV-NTZNESFSSA-N 1 0 383.286 2.666 20 0 GFADRO O=C(Nc1ccc(I)cc1)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000332578142 563604675 /nfs/dbraw/zinc/60/46/75/563604675.db2.gz ZHDMBGYTVAPBPF-UHIISALHSA-N 1 0 385.249 2.801 20 0 GFADRO CCn1cccc(C[NH2+]Cc2cc(Br)c3c(c2)OCCO3)c1=O ZINC000433178510 563605050 /nfs/dbraw/zinc/60/50/50/563605050.db2.gz USKYKPCUSMXHLY-UHFFFAOYSA-N 1 0 379.254 2.692 20 0 GFADRO C[C@H]([NH2+]CCC1(O)CCOCC1)c1ccccc1I ZINC000287516573 563605308 /nfs/dbraw/zinc/60/53/08/563605308.db2.gz OIZALJGHTWQUCH-LBPRGKRZSA-N 1 0 375.250 2.873 20 0 GFADRO OCC[N@H+](C[C@@H](O)COc1cccc(C(F)(F)F)c1)[C@@H]1CCCSC1 ZINC000433183649 563606057 /nfs/dbraw/zinc/60/60/57/563606057.db2.gz UOUZMLKHMOKJCF-HUUCEWRRSA-N 1 0 379.444 2.635 20 0 GFADRO CNC(=O)c1cccc(NC(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)c1Br ZINC000287525448 563606066 /nfs/dbraw/zinc/60/60/66/563606066.db2.gz VRECQSFYRWAGDL-GXTWGEPZSA-N 1 0 395.301 2.557 20 0 GFADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cn2ccc(Br)cc2n1 ZINC000287524592 563606095 /nfs/dbraw/zinc/60/60/95/563606095.db2.gz OSIBRBVEVRRSMM-KGLIPLIRSA-N 1 0 377.286 2.796 20 0 GFADRO C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)Nc1ccc2nccnc2c1Br ZINC000332592591 563606704 /nfs/dbraw/zinc/60/67/04/563606704.db2.gz LANQRCSVIUAKCO-WDEREUQCSA-N 1 0 378.274 2.949 20 0 GFADRO O[C@H](C[NH2+]Cc1ccc(-c2cc[nH]n2)o1)COc1ccccc1Br ZINC000433317202 563609190 /nfs/dbraw/zinc/60/91/90/563609190.db2.gz KVSLPDIXHOOYFA-GFCCVEGCSA-N 1 0 392.253 2.962 20 0 GFADRO O=C(NCC[NH2+]Cc1ccc(-c2cc[nH]n2)o1)c1cccc(Br)c1 ZINC000433323798 563609254 /nfs/dbraw/zinc/60/92/54/563609254.db2.gz YZJWFRQIICCGKC-UHFFFAOYSA-N 1 0 389.253 2.952 20 0 GFADRO C[C@@H]1CCN(C(=O)N[C@@H]2CCN(c3ccccc3Br)C2)C[C@@H]1C[NH3+] ZINC000332666139 563611157 /nfs/dbraw/zinc/61/11/57/563611157.db2.gz LWVZUDGNNOIAOS-QLFBSQMISA-N 1 0 395.345 2.654 20 0 GFADRO CC(C)(NC(=O)c1ncn([C@H]2CCC[NH2+]C2)n1)c1ccc(Br)cc1 ZINC000433398745 563611714 /nfs/dbraw/zinc/61/17/14/563611714.db2.gz FUNWUCYOPVGWMT-AWEZNQCLSA-N 1 0 392.301 2.630 20 0 GFADRO C[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)c1ncn([C@H]2CCC[NH2+]C2)n1 ZINC000433401450 563612112 /nfs/dbraw/zinc/61/21/12/563612112.db2.gz SGEDIJPTHIZIPC-FZMZJTMJSA-N 1 0 382.295 2.870 20 0 GFADRO CC(C)[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000332703033 563612323 /nfs/dbraw/zinc/61/23/23/563612323.db2.gz UKCQBXTXWGQXGO-HEHGZKQESA-N 1 0 383.945 2.899 20 0 GFADRO C[NH+](C)C[C@H]1CCN(C(=O)N[C@H](c2cncc(Br)c2)C2CC2)C1 ZINC000287681163 563613309 /nfs/dbraw/zinc/61/33/09/563613309.db2.gz FASJOKRPUZPBKO-WBMJQRKESA-N 1 0 381.318 2.888 20 0 GFADRO Cc1sc2ncnc(SCC(=O)N[C@H]3C[N@H+](C4CC4)C[C@@H]3C)c2c1C ZINC000332913169 563616115 /nfs/dbraw/zinc/61/61/15/563616115.db2.gz MSKHMIDYJLFYRW-HZMBPMFUSA-N 1 0 376.551 2.999 20 0 GFADRO O=C(N[C@@H](c1cncc(Br)c1)C1CC1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000287752866 563616119 /nfs/dbraw/zinc/61/61/19/563616119.db2.gz INXSDKIMDGTNLI-IAGOWNOFSA-N 1 0 391.313 2.951 20 0 GFADRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1cnnn1-c1c(Cl)cccc1Cl ZINC000332977845 563616845 /nfs/dbraw/zinc/61/68/45/563616845.db2.gz NRPUWIVHNKHNIU-KBPBESRZSA-N 1 0 380.279 2.931 20 0 GFADRO COCCO[C@H]1CCC[N@H+](CCC(=O)Nc2ccccc2Br)C1 ZINC000411408889 563618076 /nfs/dbraw/zinc/61/80/76/563618076.db2.gz ORJQMRQLMKCJKS-AWEZNQCLSA-N 1 0 385.302 2.905 20 0 GFADRO C[NH+](C)CC1CCN(C(=O)Cc2ccccc2I)CC1 ZINC000433744172 563619266 /nfs/dbraw/zinc/61/92/66/563619266.db2.gz GYVUJUNFGGCTNH-UHFFFAOYSA-N 1 0 386.277 2.634 20 0 GFADRO O=C(Nc1ccc(Br)c(F)c1)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000333109838 563620598 /nfs/dbraw/zinc/62/05/98/563620598.db2.gz GGHMQHHOQBLDFC-UHFFFAOYSA-N 1 0 399.308 2.926 20 0 GFADRO CCn1cc([C@@H]2NC(=O)CC[C@H]2[NH2+]Cc2ccc(Br)s2)cn1 ZINC000433997347 563624660 /nfs/dbraw/zinc/62/46/60/563624660.db2.gz PBNKKPNNQBFRHP-DOMZBBRYSA-N 1 0 383.315 2.837 20 0 GFADRO COc1ccc(Br)c(C(=O)N2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)c1 ZINC000333232545 563625659 /nfs/dbraw/zinc/62/56/59/563625659.db2.gz CHWRZUAXVJWBIU-DYVFJYSZSA-N 1 0 397.313 2.816 20 0 GFADRO CSc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@H]([C@@H](O)C(F)(F)F)C2)cc1 ZINC000411634886 563627076 /nfs/dbraw/zinc/62/70/76/563627076.db2.gz MGYIHTQOZWOADF-WOSRLPQWSA-N 1 0 379.444 2.783 20 0 GFADRO [NH3+][C@@H]1CCO[C@H](C2CCN(C(=O)Cc3ccc(F)c(Br)c3)CC2)C1 ZINC000333291256 563627320 /nfs/dbraw/zinc/62/73/20/563627320.db2.gz ORUSTAYFHUZVBO-PBHICJAKSA-N 1 0 399.304 2.876 20 0 GFADRO [NH3+][C@H]1CCO[C@H](C2CCN(C(=O)c3ccc(Br)cc3F)CC2)C1 ZINC000333301240 563627536 /nfs/dbraw/zinc/62/75/36/563627536.db2.gz QBZCQMJNZRUTKK-BBRMVZONSA-N 1 0 385.277 2.947 20 0 GFADRO COCC[N@H+](CCC(=O)Nc1cccc(Br)c1)[C@@H]1CCO[C@H]1C ZINC000411655655 563628175 /nfs/dbraw/zinc/62/81/75/563628175.db2.gz LVNHQZMRMHNAPM-XJKSGUPXSA-N 1 0 385.302 2.904 20 0 GFADRO COCC[N@H+](CCC(=O)Nc1ccccc1Br)[C@H]1CCO[C@H]1C ZINC000411656145 563628364 /nfs/dbraw/zinc/62/83/64/563628364.db2.gz PKVWMSNWPUEQFL-BBRMVZONSA-N 1 0 385.302 2.904 20 0 GFADRO C[C@@H]1CC2(CN1S(=O)(=O)c1csc(-c3ccccc3)n1)CC[NH2+]CC2 ZINC000333368095 563629268 /nfs/dbraw/zinc/62/92/68/563629268.db2.gz FCIYGTMQCQKFIM-CQSZACIVSA-N 1 0 377.535 2.963 20 0 GFADRO CCc1nc(NC(=O)C(=O)N(CC[NH+](C)C)Cc2ccsc2)sc1C ZINC000411691151 563630302 /nfs/dbraw/zinc/63/03/02/563630302.db2.gz HBXAPOQOQLUIDR-UHFFFAOYSA-N 1 0 380.539 2.604 20 0 GFADRO CSc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@@](O)(C(F)(F)F)CC2)cc1 ZINC000411716253 563631076 /nfs/dbraw/zinc/63/10/76/563631076.db2.gz FQPOZOVHCZEKAC-CJNGLKHVSA-N 1 0 379.444 2.928 20 0 GFADRO O=C(NC[C@H]1CCCC[N@@H+]1C1CC1)C(=O)Nc1ccc(Br)cc1F ZINC000434556693 563632020 /nfs/dbraw/zinc/63/20/20/563632020.db2.gz MVGMQZNAVHLRJT-CYBMUJFWSA-N 1 0 398.276 2.660 20 0 GFADRO Cc1c(Br)cccc1NC(=O)C(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000434557054 563632055 /nfs/dbraw/zinc/63/20/55/563632055.db2.gz CDEKBMMIDGNNEA-CQSZACIVSA-N 1 0 394.313 2.829 20 0 GFADRO C[NH+](C)Cc1ccc(S(=O)(=O)N2CCSC[C@@H]2c2nccs2)cc1 ZINC000333443190 563632726 /nfs/dbraw/zinc/63/27/26/563632726.db2.gz MEZGQHRVMXQSRC-OAHLLOKOSA-N 1 0 383.564 2.684 20 0 GFADRO C[N@H+](CCN1CCOC(C)(C)C1)C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000434699218 563634984 /nfs/dbraw/zinc/63/49/84/563634984.db2.gz ZSZOHQXWFKDPDC-CQSZACIVSA-N 1 0 391.339 2.776 20 0 GFADRO CO[C@H]1C[C@H]2C[C@@H]([NH2+][C@@H]3CCCN(S(=O)(=O)c4cccs4)C3)C[C@H]2C1 ZINC000333576007 563635890 /nfs/dbraw/zinc/63/58/90/563635890.db2.gz NCOOIRJZUKXNDP-JJTUDDRGSA-N 1 0 384.567 2.694 20 0 GFADRO [NH3+][C@H]1CCO[C@H](C2CCN(S(=O)(=O)c3c(Cl)ccc(F)c3F)CC2)C1 ZINC000333630943 563637439 /nfs/dbraw/zinc/63/74/39/563637439.db2.gz GPVSGYSWDQWFFP-FZMZJTMJSA-N 1 0 394.871 2.525 20 0 GFADRO [NH3+][C@H]1CCCO[C@@H]1C1CCN(S(=O)(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000333719808 563640098 /nfs/dbraw/zinc/64/00/98/563640098.db2.gz UKEMIIIBIVWBQO-JKSUJKDBSA-N 1 0 393.336 2.900 20 0 GFADRO CN(C(=O)N[C@@H]1COc2cc(F)c(Br)cc21)[C@@H]1CCC[NH2+]CC1 ZINC000333723383 563640695 /nfs/dbraw/zinc/64/06/95/563640695.db2.gz GVLOZBZEPXININ-QMTHXVAHSA-N 1 0 386.265 2.805 20 0 GFADRO O=C(NC[C@H]1C[NH2+]CCCO1)N1CCC[C@@H]1c1ccc(Br)cc1 ZINC000333776312 563641922 /nfs/dbraw/zinc/64/19/22/563641922.db2.gz CZQPCNJCEZZUCJ-HZPDHXFCSA-N 1 0 382.302 2.674 20 0 GFADRO O=C(c1cnn([C@H]2CCC[NH2+]C2)c1)N1CCc2cc(Br)ccc21 ZINC000333803344 563642230 /nfs/dbraw/zinc/64/22/30/563642230.db2.gz IDUCIKAGPQZEJA-HNNXBMFYSA-N 1 0 375.270 2.773 20 0 GFADRO CC[NH+]1CCN(CCNC(=O)c2cc(Cl)c(C)cc2Br)CC1 ZINC000288413688 563642305 /nfs/dbraw/zinc/64/23/05/563642305.db2.gz LUYRNSPZRLHDSV-UHFFFAOYSA-N 1 0 388.737 2.778 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]1C1CCN(C(=O)Nc2ccc(Br)cc2F)CC1 ZINC000333933429 563645829 /nfs/dbraw/zinc/64/58/29/563645829.db2.gz HQZRAHBMWCOWLB-HIFRSBDPSA-N 1 0 386.265 2.948 20 0 GFADRO C[C@H]1CC(C)(C)C[N@@H+]1CC(=O)NCC(=O)Nc1ccccc1Br ZINC000412050598 563646041 /nfs/dbraw/zinc/64/60/41/563646041.db2.gz YYUWGHLSSQGPGS-LBPRGKRZSA-N 1 0 382.302 2.624 20 0 GFADRO Cc1c(S(=O)(=O)N2CCC[C@@H]2C[NH+](C)C)cnn1-c1ccc(Cl)cc1 ZINC000435228290 563646302 /nfs/dbraw/zinc/64/63/02/563646302.db2.gz YOWVKCUZANJZLC-MRXNPFEDSA-N 1 0 382.917 2.549 20 0 GFADRO O=C(c1cc(F)c(F)cc1I)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000435242501 563646917 /nfs/dbraw/zinc/64/69/17/563646917.db2.gz LBYVKYZAQVPAFW-VIFPVBQESA-N 1 0 392.187 2.536 20 0 GFADRO O=C(NCc1nc(C(F)(F)F)cs1)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000412132580 563648295 /nfs/dbraw/zinc/64/82/95/563648295.db2.gz WYADWBRDZAWWGN-LLVKDONJSA-N 1 0 379.473 2.996 20 0 GFADRO CCOC(=O)COc1c(Br)cc(C)cc1CN1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000435373015 563648736 /nfs/dbraw/zinc/64/87/36/563648736.db2.gz CSDWDTUCYMEGNR-ZIAGYGMSSA-N 1 0 399.329 2.869 20 0 GFADRO C[NH+](C)CCCOc1cnccc1CNS(=O)(=O)c1ccccc1Cl ZINC000288686845 563653296 /nfs/dbraw/zinc/65/32/96/563653296.db2.gz VCTVLOJTJRFOFW-UHFFFAOYSA-N 1 0 383.901 2.544 20 0 GFADRO Cc1ncsc1CN(Cc1nc(CC(F)(F)F)no1)C[C@H]1CC[NH2+]C1 ZINC000435738053 563657826 /nfs/dbraw/zinc/65/78/26/563657826.db2.gz OFSNSJLKPVYQSJ-NSHDSACASA-N 1 0 375.420 2.551 20 0 GFADRO O=C(N1CCN(Cc2ccc(Br)s2)CC1)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000435897769 563660073 /nfs/dbraw/zinc/66/00/73/563660073.db2.gz PCOWXVINNBBHGB-CXAGYDPISA-N 1 0 398.370 2.545 20 0 GFADRO Cc1ncsc1CN(C[C@@H]1CC[NH2+]C1)[C@H](C)C(=O)NCc1cccs1 ZINC000436050963 563663355 /nfs/dbraw/zinc/66/33/55/563663355.db2.gz JQQGKHDFHXVZCP-HUUCEWRRSA-N 1 0 378.567 2.629 20 0 GFADRO C[C@H](CO)[N@@H+](Cc1ccc(I)c(Cl)c1)C[C@H](C)O ZINC000436099856 563664244 /nfs/dbraw/zinc/66/42/44/563664244.db2.gz DYHAESVZYCCVPY-ZJUUUORDSA-N 1 0 383.657 2.508 20 0 GFADRO O=C(NC[C@@H]1CCN(c2cccc(Br)c2)C1)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000436310597 563669202 /nfs/dbraw/zinc/66/92/02/563669202.db2.gz QONVLOHLYPHHDR-QMTMVMCOSA-N 1 0 392.341 2.781 20 0 GFADRO C[NH+](C)CCn1ccc(NC(=O)N[C@@H]2C[C@H]2c2ccc(Cl)cc2Cl)n1 ZINC000436385315 563669836 /nfs/dbraw/zinc/66/98/36/563669836.db2.gz HQNVIBLZVUYSDE-DZGCQCFKSA-N 1 0 382.295 3.429 20 0 GFADRO O=C([N-]C[C@H]1CCC[N@@H+](C[C@@H](O)c2ccc(F)cc2Cl)C1)C(F)(F)F ZINC000289454544 563674604 /nfs/dbraw/zinc/67/46/04/563674604.db2.gz LJBYYJNBJGEAIG-QMTHXVAHSA-N 1 0 382.785 2.903 20 0 GFADRO Cc1ccc(OC(F)F)c(C[N@H+]2CCC[C@@H](CN(C)S(C)(=O)=O)C2)c1 ZINC000289552063 563678141 /nfs/dbraw/zinc/67/81/41/563678141.db2.gz RDILGXGEARIODN-AWEZNQCLSA-N 1 0 376.469 2.700 20 0 GFADRO Brc1c(CN2CCC[C@@H](C[NH+]3CCOCC3)C2)nc2ccccn21 ZINC000289557140 563678783 /nfs/dbraw/zinc/67/87/83/563678783.db2.gz GQZJIZGRLKGDDG-HNNXBMFYSA-N 1 0 393.329 2.641 20 0 GFADRO COCCCN(C1CC[NH+](C)CC1)S(=O)(=O)c1c(Cl)ccc(F)c1F ZINC000289576599 563679170 /nfs/dbraw/zinc/67/91/70/563679170.db2.gz OUZBVCTYTDXENT-UHFFFAOYSA-N 1 0 396.887 2.740 20 0 GFADRO Brc1ccn2cc(CNC3CC[NH+](C[C@@H]4CCOC4)CC3)nc2c1 ZINC000289592306 563680083 /nfs/dbraw/zinc/68/00/83/563680083.db2.gz UGMUIMSWGSZZMB-AWEZNQCLSA-N 1 0 393.329 2.687 20 0 GFADRO COC(=O)[C@@H]1CN(C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)CC[N@H+](C)C1 ZINC000413049968 563680702 /nfs/dbraw/zinc/68/07/02/563680702.db2.gz UEQZEQCPCNLHFJ-RYUDHWBXSA-N 1 0 388.295 2.801 20 0 GFADRO CC[NH+]1CCN([C@@H](C)CNc2nccc3cc(Br)ccc32)CC1 ZINC000413058042 563680820 /nfs/dbraw/zinc/68/08/20/563680820.db2.gz ZPQRUGYEIDUAJZ-AWEZNQCLSA-N 1 0 377.330 3.435 20 0 GFADRO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]C[C@]2(C)OCCc3sccc32)cc1 ZINC000289664289 563682031 /nfs/dbraw/zinc/68/20/31/563682031.db2.gz GWNRLTMHLADQNF-ACJLOTCBSA-N 1 0 380.535 2.795 20 0 GFADRO CC[C@H]1[NH2+]CC[C@@H]1C(=O)N(C)CC(=O)Nc1ccc(Br)cc1C ZINC000289710146 563683983 /nfs/dbraw/zinc/68/39/83/563683983.db2.gz UHPSMNZPUZRFKQ-UONOGXRCSA-N 1 0 382.302 2.543 20 0 GFADRO Cc1ccc(C[NH+]2CCC(C(=O)N3CCN(C)CC3)CC2)cc1Br ZINC000289706796 563684331 /nfs/dbraw/zinc/68/43/31/563684331.db2.gz GKHHSUOSDQLEMR-UHFFFAOYSA-N 1 0 394.357 2.744 20 0 GFADRO COc1c[nH+]ccc1N1CCN(C(=O)c2cc(Br)ccc2O)CC1 ZINC000436922271 563685685 /nfs/dbraw/zinc/68/56/85/563685685.db2.gz ZRJVRADYUJMDHT-UHFFFAOYSA-N 1 0 392.253 2.521 20 0 GFADRO Cc1ccc(C[N@@H+]2CCC[C@@H]2C[C@@]2(C)NC(=O)NC2=O)cc1Br ZINC000289857927 563689716 /nfs/dbraw/zinc/68/97/16/563689716.db2.gz VIMFSOSZLGBQQV-CXAGYDPISA-N 1 0 380.286 2.710 20 0 GFADRO C[C@@H]([NH2+]CCS(=O)(=O)NCc1ccccc1)c1ccc(Br)nc1 ZINC000289912595 563690945 /nfs/dbraw/zinc/69/09/45/563690945.db2.gz USUQIYDPPNLQJV-CYBMUJFWSA-N 1 0 398.326 2.614 20 0 GFADRO C[N@@H+]1CC[C@H]2CCN(C(=O)c3cc(=O)[nH]c4c(Br)cccc34)[C@@H]2C1 ZINC000360023325 563691098 /nfs/dbraw/zinc/69/10/98/563691098.db2.gz YTEKSHPQRJXXSW-XHDPSFHLSA-N 1 0 390.281 2.869 20 0 GFADRO C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1NC(=O)Cc1ccccc1Br ZINC000360537314 563692805 /nfs/dbraw/zinc/69/28/05/563692805.db2.gz QXVIJYMSUNEWEL-HFTRVMKXSA-N 1 0 395.341 2.997 20 0 GFADRO COC(=O)[C@@H]1CN(c2ccnc3c(Br)ccc(F)c23)CC[N@H+](C)C1 ZINC000413490751 563694723 /nfs/dbraw/zinc/69/47/23/563694723.db2.gz AHOYEPNNEFRCRH-NSHDSACASA-N 1 0 396.260 2.677 20 0 GFADRO O=S1(=O)CC[C@@H](C[NH2+]Cc2cc(C(F)(F)F)ccc2Br)C1 ZINC000290035718 563695956 /nfs/dbraw/zinc/69/59/56/563695956.db2.gz WDOHEUAYZHBTTJ-VIFPVBQESA-N 1 0 386.233 2.992 20 0 GFADRO Cc1ccc(I)c(C(=O)Nc2cnc3c(c2)C[NH2+]CC3)c1 ZINC000361030766 563696298 /nfs/dbraw/zinc/69/62/98/563696298.db2.gz MQCHWXVFDXFTDB-UHFFFAOYSA-N 1 0 393.228 2.893 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2C(=O)c1ccc(F)c(Br)c1 ZINC000437742685 563699020 /nfs/dbraw/zinc/69/90/20/563699020.db2.gz GJVOETCNPMMZMA-KCXAZCMYSA-N 1 0 385.277 2.912 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2C(=O)Cc1ccc(Br)c(F)c1 ZINC000361783760 563701511 /nfs/dbraw/zinc/70/15/11/563701511.db2.gz NVCOURXZQPZTMF-COXVUDFISA-N 1 0 399.304 2.841 20 0 GFADRO O=C(Nc1cnn(CC[NH+]2CCCCC2)c1)c1cncc(Br)c1 ZINC000361994948 563702770 /nfs/dbraw/zinc/70/27/70/563702770.db2.gz FPORXUKPOWBBHU-UHFFFAOYSA-N 1 0 378.274 2.779 20 0 GFADRO CCOc1cc(C[NH2+]CCS(=O)(=O)C(C)C)ccc1OCC(F)(F)F ZINC000290283515 563704021 /nfs/dbraw/zinc/70/40/21/563704021.db2.gz ZKZBTJQWRIVGPO-UHFFFAOYSA-N 1 0 383.432 2.939 20 0 GFADRO Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)NC[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000290278739 563704042 /nfs/dbraw/zinc/70/40/42/563704042.db2.gz BZFJQBUUZBOKPX-LBPRGKRZSA-N 1 0 380.842 2.958 20 0 GFADRO O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cn(-c2ccc(Br)cc2)cn1 ZINC000362178198 563704506 /nfs/dbraw/zinc/70/45/06/563704506.db2.gz MSXOZWRWGZJYPQ-GOEBONIOSA-N 1 0 389.297 2.991 20 0 GFADRO CCS(=O)(=O)NCCC[NH2+][C@H](c1cc(Cl)ccc1Cl)[C@@H]1CCOC1 ZINC000362281834 563705334 /nfs/dbraw/zinc/70/53/34/563705334.db2.gz KWDUABJJTNJAHF-WBMJQRKESA-N 1 0 395.352 2.990 20 0 GFADRO O=C(C[C@H](O)c1cc(Cl)cc(Cl)c1)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000362272566 563705531 /nfs/dbraw/zinc/70/55/31/563705531.db2.gz GULQMDWNVHPFRJ-IRXDYDNUSA-N 1 0 387.307 2.786 20 0 GFADRO CC[C@@H]1CC[N@H+](CC(=O)N(C)CC(=O)Nc2ccc(Br)cc2C)C1 ZINC000438501729 563706668 /nfs/dbraw/zinc/70/66/68/563706668.db2.gz MEBGIOQGFLRJHS-CQSZACIVSA-N 1 0 396.329 2.886 20 0 GFADRO NC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1Cc1nnc(-c2ccc(Br)o2)o1 ZINC000362445641 563707130 /nfs/dbraw/zinc/70/71/30/563707130.db2.gz AVXMPJXPLFGXJK-MXWKQRLJSA-N 1 0 395.257 2.711 20 0 GFADRO CC(C)[N@@H+]1CCCN(C[C@@H](O)COc2cc(F)cc(Br)c2)CC1 ZINC000438845652 563712347 /nfs/dbraw/zinc/71/23/47/563712347.db2.gz CQNJOQZBIOOXEE-MRXNPFEDSA-N 1 0 389.309 2.744 20 0 GFADRO O=C(Nc1ccc(Br)cc1F)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000363070693 563713209 /nfs/dbraw/zinc/71/32/09/563713209.db2.gz VPVQDFOEAJQPFP-HUUCEWRRSA-N 1 0 386.265 2.651 20 0 GFADRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C1(c2cccc(Br)c2)CC(=O)C1 ZINC000438909274 563713407 /nfs/dbraw/zinc/71/34/07/563713407.db2.gz IMADRBFBNIBMEU-SJKOYZFVSA-N 1 0 391.309 2.649 20 0 GFADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1cc2cc(Br)ccc2[nH]1 ZINC000363176520 563716800 /nfs/dbraw/zinc/71/68/00/563716800.db2.gz JYIXVICIXVAMKI-KBPBESRZSA-N 1 0 378.270 2.523 20 0 GFADRO CC[NH+]1CCN([C@@H]2CCN(c3noc4ccc(Br)cc43)C2)CC1 ZINC000290666346 563717863 /nfs/dbraw/zinc/71/78/63/563717863.db2.gz QOROCPYHWXRCBZ-CQSZACIVSA-N 1 0 379.302 2.807 20 0 GFADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@H](c1ccsc1)N(C)C ZINC000414076230 563718184 /nfs/dbraw/zinc/71/81/84/563718184.db2.gz YCUKWPWIPOJWKC-IUODEOHRSA-N 1 0 384.343 2.953 20 0 GFADRO CSc1ccc(NC(=O)C(=O)NCC2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1Cl ZINC000363309772 563718894 /nfs/dbraw/zinc/71/88/94/563718894.db2.gz YEVMYLIJEJDVLP-QXMXGUDHSA-N 1 0 381.929 2.989 20 0 GFADRO C[NH+]1CCC(CCNS(=O)(=O)c2ccc(F)c(Br)c2)CC1 ZINC000439244634 563720421 /nfs/dbraw/zinc/72/04/21/563720421.db2.gz IIOJDMFWVVMNGA-UHFFFAOYSA-N 1 0 379.295 2.598 20 0 GFADRO O=S(=O)(NCC[NH+]1CCCCCC1)c1ccc(F)c(Br)c1 ZINC000439243597 563720693 /nfs/dbraw/zinc/72/06/93/563720693.db2.gz DKJTYPWNPRUXEK-UHFFFAOYSA-N 1 0 379.295 2.743 20 0 GFADRO CC(C)O[C@H]1C[C@@H]([NH2+][C@H](C)c2ccc(Br)c(S(N)(=O)=O)c2)C1 ZINC000414152753 563720886 /nfs/dbraw/zinc/72/08/86/563720886.db2.gz XZJGKBIPJQVJBS-RTXFEEFZSA-N 1 0 391.331 2.703 20 0 GFADRO COCCNC(=O)C1([NH2+][C@H]2CCSc3ccc(Br)cc32)CC1 ZINC000414197660 563721763 /nfs/dbraw/zinc/72/17/63/563721763.db2.gz BVFZVASGHAZYRW-ZDUSSCGKSA-N 1 0 385.327 2.871 20 0 GFADRO CO[C@H]1c2ccccc2C[C@H]1[NH2+][C@H](C)Cn1cc(Br)ccc1=O ZINC000414217692 563722401 /nfs/dbraw/zinc/72/24/01/563722401.db2.gz CBPDOVASUVIIEF-NJAPINKUSA-N 1 0 377.282 2.901 20 0 GFADRO CC1(C)CC[C@H]([NH2+]C[C@H](O)Cn2ccnn2)c2cc(Br)ccc21 ZINC000414200033 563722537 /nfs/dbraw/zinc/72/25/37/563722537.db2.gz XFKBXDOWNAIKBQ-BBRMVZONSA-N 1 0 379.302 2.804 20 0 GFADRO C[N@H+](C[C@H](O)CSc1nnc2c(Cl)cc(C(F)(F)F)cn12)C1CC1 ZINC000290814395 563722609 /nfs/dbraw/zinc/72/26/09/563722609.db2.gz ROXTUKHPBKEUCW-JTQLQIEISA-N 1 0 380.823 2.949 20 0 GFADRO C[C@@H]1C[N@@H+](C2CCN(C(=O)c3cc(F)ccc3Br)CC2)CCO1 ZINC000363432476 563722820 /nfs/dbraw/zinc/72/28/20/563722820.db2.gz KOOCUOHATNWEEI-GFCCVEGCSA-N 1 0 385.277 2.914 20 0 GFADRO C[C@H]1CC[N@H+](C)CCN1C(=O)C(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000439351210 563723007 /nfs/dbraw/zinc/72/30/07/563723007.db2.gz NVFQAYHNNUYTKY-JTQLQIEISA-N 1 0 377.794 2.850 20 0 GFADRO CNS(=O)(=O)CCC[NH+]1CCC(c2cccc(Br)c2)CC1 ZINC000439318282 563723098 /nfs/dbraw/zinc/72/30/98/563723098.db2.gz OJXYUXHSLAQKAK-UHFFFAOYSA-N 1 0 375.332 2.568 20 0 GFADRO C[C@@H]([NH2+]Cc1ccc(S(N)(=O)=O)c(Cl)c1)c1ccc2c(c1)OCCO2 ZINC000414243982 563723259 /nfs/dbraw/zinc/72/32/59/563723259.db2.gz AFIVYKCZCNFFFX-LLVKDONJSA-N 1 0 382.869 2.609 20 0 GFADRO Cc1ccc(Br)c(CNC2CC[NH+](CCN3CCOCC3)CC2)c1 ZINC000414250529 563723289 /nfs/dbraw/zinc/72/32/89/563723289.db2.gz GHXVJCWBIXDTMO-UHFFFAOYSA-N 1 0 396.373 2.644 20 0 GFADRO CS(=O)(=O)c1ccc(C[NH2+]CCc2cc(Cl)c3c(c2)OCCO3)s1 ZINC000414252319 563723858 /nfs/dbraw/zinc/72/38/58/563723858.db2.gz ANNGEXUNBASHGV-UHFFFAOYSA-N 1 0 387.910 2.909 20 0 GFADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@@H](CO)c1ccc(F)cc1 ZINC000414290354 563725256 /nfs/dbraw/zinc/72/52/56/563725256.db2.gz NKWGMADVRYQVJY-OCCSQVGLSA-N 1 0 383.261 2.504 20 0 GFADRO CS(=O)(=O)c1ccc(CNc2ccc(CC[NH+]3CCOCC3)cc2)s1 ZINC000414311072 563726196 /nfs/dbraw/zinc/72/61/96/563726196.db2.gz ICCRUOGEBJKTHN-UHFFFAOYSA-N 1 0 380.535 2.638 20 0 GFADRO COCCCOC1CN(C(=O)C2CC[NH+](Cc3ccc(Cl)s3)CC2)C1 ZINC000363591276 563727426 /nfs/dbraw/zinc/72/74/26/563727426.db2.gz CRCGJNMUJHNGCW-UHFFFAOYSA-N 1 0 386.945 2.877 20 0 GFADRO CCS(=O)(=O)CCC[NH2+][C@@H](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000414347486 563728451 /nfs/dbraw/zinc/72/84/51/563728451.db2.gz RAEZPALRDCJEDV-LBPRGKRZSA-N 1 0 380.432 2.837 20 0 GFADRO CCS(=O)(=O)CCC[NH2+][C@H](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000414347483 563728489 /nfs/dbraw/zinc/72/84/89/563728489.db2.gz RAEZPALRDCJEDV-GFCCVEGCSA-N 1 0 380.432 2.837 20 0 GFADRO O=C(CN1CCC[C@H]1C[N@H+]1CCC[C@H]1CO)Nc1cccc(Cl)c1Cl ZINC000363638089 563729569 /nfs/dbraw/zinc/72/95/69/563729569.db2.gz PWITUNFCXARNLY-KBPBESRZSA-N 1 0 386.323 2.853 20 0 GFADRO CO[C@@H](c1ccc(F)cc1)[C@@H](C)[NH2+]Cc1ccc(S(N)(=O)=O)c(Cl)c1 ZINC000414367047 563729756 /nfs/dbraw/zinc/72/97/56/563729756.db2.gz PGNISJDIRKITMT-PIGZYNQJSA-N 1 0 386.876 2.992 20 0 GFADRO O=C(/C=C/c1ccc(Br)cc1)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000363707246 563731073 /nfs/dbraw/zinc/73/10/73/563731073.db2.gz FQNPEHAZIUSSMI-ZVVFDCPKSA-N 1 0 379.298 2.832 20 0 GFADRO CO[C@](C)(C[NH2+][C@H](C)c1ccc(Br)c(S(N)(=O)=O)c1)C1CC1 ZINC000291109280 563731228 /nfs/dbraw/zinc/73/12/28/563731228.db2.gz FIIVOEZSCDMSSZ-MEBBXXQBSA-N 1 0 391.331 2.562 20 0 GFADRO COC[C@H]([NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1)c1ccccc1 ZINC000414396230 563733702 /nfs/dbraw/zinc/73/37/02/563733702.db2.gz RYIQUPVHTWOAHD-HNNXBMFYSA-N 1 0 399.310 2.574 20 0 GFADRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C[C@H]1Sc2ccc(Cl)cc2NC1=O ZINC000363846705 563734542 /nfs/dbraw/zinc/73/45/42/563734542.db2.gz MYDMGYFQVQNTPF-FUEDEBDSSA-N 1 0 379.913 2.742 20 0 GFADRO CC(C)[N@H+](C)CCNC(=O)C(=O)Nc1cc(F)c(Br)cc1Cl ZINC000440049609 563734619 /nfs/dbraw/zinc/73/46/19/563734619.db2.gz JONINUPVLMUQMN-UHFFFAOYSA-N 1 0 394.672 2.637 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC000363828915 563734906 /nfs/dbraw/zinc/73/49/06/563734906.db2.gz QUUWEFZTUWOAJC-OAHLLOKOSA-N 1 0 394.313 2.544 20 0 GFADRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NS(=O)(=O)c1ccc(OCC(F)F)cc1 ZINC000440079501 563735496 /nfs/dbraw/zinc/73/54/96/563735496.db2.gz YOCLGQLMEGJSED-KGLIPLIRSA-N 1 0 376.469 2.729 20 0 GFADRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NS(=O)(=O)c1ccc(Br)cc1 ZINC000440083723 563735962 /nfs/dbraw/zinc/73/59/62/563735962.db2.gz UVTNSXLTJDYRFN-CHWSQXEVSA-N 1 0 375.332 2.848 20 0 GFADRO CS(=O)(=O)c1ccc(C[NH2+]CCN2CCc3c(Cl)cccc3C2)s1 ZINC000414437777 563737380 /nfs/dbraw/zinc/73/73/80/563737380.db2.gz QFUCOVHVBVAGTJ-UHFFFAOYSA-N 1 0 384.954 2.953 20 0 GFADRO C[C@H](NS(=O)(=O)c1cc(Br)ccc1Cl)[C@@H]1CCC[NH2+]C1 ZINC000440337191 563739205 /nfs/dbraw/zinc/73/92/05/563739205.db2.gz BXTDJTXCHCSOTF-VHSXEESVSA-N 1 0 381.723 2.769 20 0 GFADRO C[C@H](NS(=O)(=O)c1cc(Br)sc1Cl)[C@@H]1CCC[NH2+]C1 ZINC000440355793 563739783 /nfs/dbraw/zinc/73/97/83/563739783.db2.gz GPLNDVLODODJMI-JGVFFNPUSA-N 1 0 387.752 2.830 20 0 GFADRO CN(C1CC[NH+](C2CCOCC2)CC1)S(=O)(=O)c1c(F)cccc1Cl ZINC000364076041 563742549 /nfs/dbraw/zinc/74/25/49/563742549.db2.gz URUXGDPNEDBHGB-UHFFFAOYSA-N 1 0 390.908 2.743 20 0 GFADRO O=S1(=O)CCCN1C1CC[NH+](Cc2cccc(OC(F)(F)F)c2)CC1 ZINC000414467882 563742787 /nfs/dbraw/zinc/74/27/87/563742787.db2.gz FKPBHHQWNUQQKT-UHFFFAOYSA-N 1 0 378.416 2.585 20 0 GFADRO O=C(NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccccc1Br ZINC000440509080 563743809 /nfs/dbraw/zinc/74/38/09/563743809.db2.gz CWVQHHDRSVXJHX-LJQANCHMSA-N 1 0 389.293 2.816 20 0 GFADRO C[C@H](COc1ccc(Cl)c(Cl)c1)[NH2+]CCCCn1cc(C(N)=O)nn1 ZINC000414571309 563747100 /nfs/dbraw/zinc/74/71/00/563747100.db2.gz USTAFZYHOHZKMM-LLVKDONJSA-N 1 0 386.283 2.521 20 0 GFADRO CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)NC[C@@H](O)c1ccc(Cl)cc1Cl ZINC000364221736 563747078 /nfs/dbraw/zinc/74/70/78/563747078.db2.gz PQUARVZWTLWDRA-AZAGILFBSA-N 1 0 387.307 2.676 20 0 GFADRO C[NH+](C)CC[C@@H](NC(=O)C(=O)Nc1ncc(C(F)(F)F)s1)C(C)(C)C ZINC000291573456 563747897 /nfs/dbraw/zinc/74/78/97/563747897.db2.gz WQMYCLJTVVMWTJ-SECBINFHSA-N 1 0 380.436 2.583 20 0 GFADRO C[NH+](C)CC[C@H](NC(=O)C(=O)Nc1ncc(C(F)(F)F)s1)C(C)(C)C ZINC000291573462 563748183 /nfs/dbraw/zinc/74/81/83/563748183.db2.gz WQMYCLJTVVMWTJ-VIFPVBQESA-N 1 0 380.436 2.583 20 0 GFADRO C[C@@H](NS(=O)(=O)c1cccc(Cl)c1Br)[C@@H]1CCC[NH2+]C1 ZINC000440740443 563748812 /nfs/dbraw/zinc/74/88/12/563748812.db2.gz ZLWOGWQXSWONKR-NXEZZACHSA-N 1 0 381.723 2.769 20 0 GFADRO COCCCOc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000440759769 563749536 /nfs/dbraw/zinc/74/95/36/563749536.db2.gz YBFUQEIROSVYTC-HIFRSBDPSA-N 1 0 390.933 2.503 20 0 GFADRO Cc1ccc(NC(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])c(Br)c1 ZINC000414701097 563750805 /nfs/dbraw/zinc/75/08/05/563750805.db2.gz TYGXMUGGJKMSQW-ZDUSSCGKSA-N 1 0 397.317 2.609 20 0 GFADRO [NH3+][C@H]1CCC[C@H](CNC(=O)Nc2nnc(SCc3ccccc3)s2)C1 ZINC000414706297 563751007 /nfs/dbraw/zinc/75/10/07/563751007.db2.gz LOOLQBYFNHHDAB-KBPBESRZSA-N 1 0 377.539 3.469 20 0 GFADRO COc1c(Br)cccc1C[NH2+][C@H]1CCN(C(=O)c2ccncc2)C1 ZINC000364365177 563751166 /nfs/dbraw/zinc/75/11/66/563751166.db2.gz NDQBDRXIKUDJPD-HNNXBMFYSA-N 1 0 390.281 2.857 20 0 GFADRO Cc1c(Br)cccc1S(=O)(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000440840424 563751589 /nfs/dbraw/zinc/75/15/89/563751589.db2.gz GHGHDKOSUULAEH-OAHLLOKOSA-N 1 0 387.343 2.910 20 0 GFADRO CN(C[C@H](O)C[NH3+])C(=O)Nc1ncc(Cc2cccc(Cl)c2Cl)s1 ZINC000414745468 563751723 /nfs/dbraw/zinc/75/17/23/563751723.db2.gz XZLWTDVALQZWCI-SNVBAGLBSA-N 1 0 389.308 2.824 20 0 GFADRO CC[NH+]1CCC(CCNC(=O)c2nc(C3CC3)ncc2Br)CC1 ZINC000291660632 563752262 /nfs/dbraw/zinc/75/22/62/563752262.db2.gz BLPKFYSVORSCBJ-UHFFFAOYSA-N 1 0 381.318 2.968 20 0 GFADRO C[C@H]1C[C@H](C[NH3+])CN1S(=O)(=O)c1cc(Cl)c(Br)cc1F ZINC000440849764 563752385 /nfs/dbraw/zinc/75/23/85/563752385.db2.gz YFYXUOYZZFZYGO-JGVFFNPUSA-N 1 0 385.686 2.599 20 0 GFADRO C[NH2+]C[C@H](C)CNC(=O)Nc1ccc(I)cc1Cl ZINC000414793581 563752652 /nfs/dbraw/zinc/75/26/52/563752652.db2.gz KTVSQJVMNCVTRQ-QMMMGPOBSA-N 1 0 381.645 2.922 20 0 GFADRO [NH3+][C@H](CNC(=O)Nc1ccc(I)cc1Cl)C1CC1 ZINC000414800661 563753684 /nfs/dbraw/zinc/75/36/84/563753684.db2.gz SNRVGQYVGZQVDQ-SNVBAGLBSA-N 1 0 379.629 2.803 20 0 GFADRO C[N@@H+]1CCN(CCNC(=O)NCCc2c(Cl)cccc2Cl)CC1(C)C ZINC000440991882 563753932 /nfs/dbraw/zinc/75/39/32/563753932.db2.gz YGBAGPLTARNDAY-UHFFFAOYSA-N 1 0 387.355 2.861 20 0 GFADRO O=C(Nc1ccc(I)cc1Cl)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000414805888 563753917 /nfs/dbraw/zinc/75/39/17/563753917.db2.gz YWXZCQVCYKUOPI-DTORHVGOSA-N 1 0 391.640 2.628 20 0 GFADRO FC(F)(F)[C@H](CNCc1csc(-c2cccs2)n1)N1CC[NH2+]CC1 ZINC000414965944 563755556 /nfs/dbraw/zinc/75/55/56/563755556.db2.gz DBMRHYXLCUYCJH-ZDUSSCGKSA-N 1 0 376.473 2.797 20 0 GFADRO CCOCCOc1ccc(Br)cc1CN1CC[C@H](n2cncn2)C1 ZINC000364530713 563755859 /nfs/dbraw/zinc/75/58/59/563755859.db2.gz SJSFAMWHIGHNFM-INIZCTEOSA-N 1 0 395.301 2.903 20 0 GFADRO COc1cc(Br)c(NC(=O)N[C@H]2CC[NH2+]CC2(C)C)cc1OC ZINC000414989080 563756289 /nfs/dbraw/zinc/75/62/89/563756289.db2.gz GOPLTWDUOFNJOV-AWEZNQCLSA-N 1 0 386.290 2.976 20 0 GFADRO CN(Cc1cc(Br)ccc1OCc1ccccc1)C[C@H](O)C[NH3+] ZINC000415066451 563757780 /nfs/dbraw/zinc/75/77/80/563757780.db2.gz IQYZPCFZMHIHNK-QGZVFWFLSA-N 1 0 379.298 2.780 20 0 GFADRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)S(=O)(=O)CCc1ccccc1Br ZINC000291774578 563758163 /nfs/dbraw/zinc/75/81/63/563758163.db2.gz WDVISUFXJRZSJC-CZUORRHYSA-N 1 0 389.359 2.593 20 0 GFADRO O=C(Nc1ncn(Cc2ccc(Br)cc2)n1)C12CCC[NH+]1CCC2 ZINC000415077165 563758468 /nfs/dbraw/zinc/75/84/68/563758468.db2.gz SXERJKHKYOFIFO-UHFFFAOYSA-N 1 0 390.285 2.656 20 0 GFADRO CC(C)n1ncc2c1C[C@@H]([NH2+][C@@H](C(N)=O)c1cccc(Br)c1)CC2 ZINC000364583648 563758497 /nfs/dbraw/zinc/75/84/97/563758497.db2.gz UJPKZSIOYFKQDI-DOTOQJQBSA-N 1 0 391.313 2.900 20 0 GFADRO CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]CC1(COC)CCOCC1 ZINC000291784169 563758681 /nfs/dbraw/zinc/75/86/81/563758681.db2.gz VHXPZYLRMCJUAZ-UHFFFAOYSA-N 1 0 375.918 2.666 20 0 GFADRO C[C@@H]1CCN(Cc2ccc(Br)cc2N2CCOCC2)C[C@H]1C[NH3+] ZINC000415118789 563759462 /nfs/dbraw/zinc/75/94/62/563759462.db2.gz DZRXDXOTXVWFKE-GDBMZVCRSA-N 1 0 382.346 2.702 20 0 GFADRO O=C1N[C@@H]2CN(Cc3cc(Cl)ccc3Cl)CC[C@@H]2N1C1CC[NH2+]CC1 ZINC000415135266 563760418 /nfs/dbraw/zinc/76/04/18/563760418.db2.gz FUPCVZGXAZESHX-SJORKVTESA-N 1 0 383.323 2.714 20 0 GFADRO C[N@@H+]1CC[C@]2(CCN([C@H]3CC(=O)N(c4cccc(Cl)c4Cl)C3=O)C2)C1 ZINC000291854683 563761754 /nfs/dbraw/zinc/76/17/54/563761754.db2.gz IEAADDSAOJJCFG-KSSFIOAISA-N 1 0 382.291 2.653 20 0 GFADRO C[C@@H](C[NH3+])N(C)C(=O)Nc1cc(Br)cnc1OCC(F)(F)F ZINC000415167868 563761938 /nfs/dbraw/zinc/76/19/38/563761938.db2.gz HLJTZULVBGGTDI-ZETCQYMHSA-N 1 0 385.184 2.596 20 0 GFADRO O=C(Nc1cc(Br)cnc1OCC(F)(F)F)N[C@H]1CCC[NH2+]C1 ZINC000415178535 563762002 /nfs/dbraw/zinc/76/20/02/563762002.db2.gz SINOADNZILIGFZ-VIFPVBQESA-N 1 0 397.195 2.659 20 0 GFADRO C[NH2+]CCN(C)C(=O)Nc1ccc(CCn2cc(Br)cn2)cc1 ZINC000415208623 563762156 /nfs/dbraw/zinc/76/21/56/563762156.db2.gz HIEYQWPTIAMMPQ-UHFFFAOYSA-N 1 0 380.290 2.571 20 0 GFADRO CO[C@H]1CCN(C(=O)Nc2c(F)cc(Br)cc2F)[C@H](C[NH3+])C1 ZINC000415210871 563762611 /nfs/dbraw/zinc/76/26/11/563762611.db2.gz KPOYYPGFYYZYMQ-UWVGGRQHSA-N 1 0 378.217 2.697 20 0 GFADRO CC1(C)CN(C(=O)Nc2cc(F)c(F)cc2I)CC[NH2+]1 ZINC000415238591 563762973 /nfs/dbraw/zinc/76/29/73/563762973.db2.gz MABDXEYWQNFSLM-UHFFFAOYSA-N 1 0 395.191 2.785 20 0 GFADRO O=C(NC[C@H]1CCC[NH2+]C1)Nc1cc(F)c(F)cc1I ZINC000415236822 563763187 /nfs/dbraw/zinc/76/31/87/563763187.db2.gz GRGFBFFZGXTOAS-QMMMGPOBSA-N 1 0 395.191 2.691 20 0 GFADRO [NH3+][C@H]1CCC[C@H](NC(=O)Nc2cc(F)c(F)cc2I)C1 ZINC000415245060 563763540 /nfs/dbraw/zinc/76/35/40/563763540.db2.gz ZEFUIQQUKTTYOR-YUMQZZPRSA-N 1 0 395.191 2.961 20 0 GFADRO CN(C(=O)c1ccc(NC(=O)[C@H]2CC2(Cl)Cl)cc1)[C@@H]1CCC[N@H+](C)C1 ZINC000364794861 563764038 /nfs/dbraw/zinc/76/40/38/563764038.db2.gz NHWMRBPIYJQWTO-HUUCEWRRSA-N 1 0 384.307 2.985 20 0 GFADRO O=C(Nc1ccc(F)cc1I)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000415255388 563764113 /nfs/dbraw/zinc/76/41/13/563764113.db2.gz VEMDAXWCYCEDEB-PHIMTYICSA-N 1 0 389.212 2.789 20 0 GFADRO C[C@@](C[NH3+])(NC(=O)Nc1ccc(F)cc1I)C1CC1 ZINC000415257609 563764184 /nfs/dbraw/zinc/76/41/84/563764184.db2.gz ZRJHEATZOUVXPC-ZDUSSCGKSA-N 1 0 377.201 2.679 20 0 GFADRO COc1ccc(CN2CCC[C@@]3(CNC(=O)O3)C2)c(Br)c1OC ZINC000364797509 563764191 /nfs/dbraw/zinc/76/41/91/563764191.db2.gz HJQYEVLSMHMVMQ-MRXNPFEDSA-N 1 0 385.258 2.541 20 0 GFADRO CC(C)(C)[C@H](C[NH3+])NC(=O)Nc1ccc(F)cc1I ZINC000415255690 563764341 /nfs/dbraw/zinc/76/43/41/563764341.db2.gz VQCHGHQYPPCCAM-NSHDSACASA-N 1 0 379.217 2.925 20 0 GFADRO C[NH2+]C[C@H]1CCCN(C(=O)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)C1 ZINC000415284243 563765612 /nfs/dbraw/zinc/76/56/12/563765612.db2.gz PDKLBTJSMSBBQZ-SNVBAGLBSA-N 1 0 377.794 2.755 20 0 GFADRO [NH3+]C1CCN(C(=O)Nc2ccc(Cl)cc2I)CC1 ZINC000415281477 563765669 /nfs/dbraw/zinc/76/56/69/563765669.db2.gz IUBPLTDWISODFO-UHFFFAOYSA-N 1 0 379.629 2.900 20 0 GFADRO [NH3+]C1(CNC(=O)C(=O)Nc2c(F)cccc2Br)CCCCCC1 ZINC000415310324 563766740 /nfs/dbraw/zinc/76/67/40/563766740.db2.gz BVRHHWBKKNQJNF-UHFFFAOYSA-N 1 0 386.265 2.695 20 0 GFADRO COC(=O)c1cc(Br)ccc1NC(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000415323903 563766854 /nfs/dbraw/zinc/76/68/54/563766854.db2.gz DGIMKYPFZLHORT-SWLSCSKDSA-N 1 0 396.285 2.745 20 0 GFADRO CCC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(C)cc2Br)CC1 ZINC000441993268 563767136 /nfs/dbraw/zinc/76/71/36/563767136.db2.gz DWZJFMADUBYNMY-UHFFFAOYSA-N 1 0 382.302 2.687 20 0 GFADRO C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@@H]1NC(=O)Nc1cccc(Br)n1 ZINC000364890956 563767887 /nfs/dbraw/zinc/76/78/87/563767887.db2.gz XOFMPMNRVCAEOJ-MCIONIFRSA-N 1 0 397.317 2.855 20 0 GFADRO CC(C)Oc1ccc(Br)cc1NC(=O)C(=O)NC1CCC([NH3+])CC1 ZINC000415346130 563768723 /nfs/dbraw/zinc/76/87/23/563768723.db2.gz BNMJAFRHRPBJTQ-UHFFFAOYSA-N 1 0 398.301 2.561 20 0 GFADRO CCOC(=O)c1cc(Br)ccc1NC(=O)N(C)C1CC[NH2+]CC1 ZINC000415345893 563768731 /nfs/dbraw/zinc/76/87/31/563768731.db2.gz GPMIMWPDJOTTAX-UHFFFAOYSA-N 1 0 384.274 2.842 20 0 GFADRO C[C@@H](NC(=O)C(=O)Nc1cc(Cl)ccc1Br)[C@H]1CCC[NH2+]C1 ZINC000415346866 563768840 /nfs/dbraw/zinc/76/88/40/563768840.db2.gz CIYIXBOULYLDFJ-ZJUUUORDSA-N 1 0 388.693 2.545 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N[C@H](C)[C@H]2CCC[NH2+]C2)cc1Br ZINC000415348481 563768859 /nfs/dbraw/zinc/76/88/59/563768859.db2.gz KUNNJYMQVOUCKR-OLZOCXBDSA-N 1 0 382.302 2.509 20 0 GFADRO Cc1cc(NC(=O)C(=O)N[C@@H](C)[C@H]2CCC[NH2+]C2)cc(C)c1Br ZINC000415352408 563769258 /nfs/dbraw/zinc/76/92/58/563769258.db2.gz KOMFZCRBIOZDHY-STQMWFEESA-N 1 0 382.302 2.509 20 0 GFADRO Cc1cc(NC(=O)C(=O)N[C@H](C)[C@@H]2CCC[NH2+]C2)cc(C)c1Br ZINC000415352398 563769511 /nfs/dbraw/zinc/76/95/11/563769511.db2.gz KOMFZCRBIOZDHY-CHWSQXEVSA-N 1 0 382.302 2.509 20 0 GFADRO Cc1cnc(Br)c(NC(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000292029101 563770407 /nfs/dbraw/zinc/77/04/07/563770407.db2.gz KLNYMMSFICKUFW-CQSZACIVSA-N 1 0 397.317 2.729 20 0 GFADRO CCN1CC[NH+](C[C@H](C)CNC(=O)Nc2cc(C)cnc2Br)CC1 ZINC000292034094 563770523 /nfs/dbraw/zinc/77/05/23/563770523.db2.gz LECCGCWISALYKX-CQSZACIVSA-N 1 0 398.349 2.548 20 0 GFADRO O=C(Nc1cccc(F)c1I)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000415359475 563770677 /nfs/dbraw/zinc/77/06/77/563770677.db2.gz KPWKSBVVPQHLSS-VHSXEESVSA-N 1 0 389.212 2.504 20 0 GFADRO CC[NH2+]CCNC(=O)Nc1c(-c2ccc(Br)cc2)c(C)nn1C ZINC000415361738 563770775 /nfs/dbraw/zinc/77/07/75/563770775.db2.gz OBMCFKFDBROLJI-UHFFFAOYSA-N 1 0 380.290 2.889 20 0 GFADRO COC(=O)c1cc(Br)cc(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c1 ZINC000292025786 563770787 /nfs/dbraw/zinc/77/07/87/563770787.db2.gz ZWBSFLMSTHMUOT-WBMJQRKESA-N 1 0 395.297 2.792 20 0 GFADRO CC[NH2+]CCNC(=O)C(=O)Nc1cc(Cl)ccc1SCC(F)(F)F ZINC000415368991 563771268 /nfs/dbraw/zinc/77/12/68/563771268.db2.gz OFTSULSGMACKOI-UHFFFAOYSA-N 1 0 383.823 2.659 20 0 GFADRO Cc1nc2cc(Cl)c(NC(=O)C(=O)N3CCC([C@@H](C)[NH3+])CC3)cc2s1 ZINC000415390245 563771979 /nfs/dbraw/zinc/77/19/79/563771979.db2.gz GJPGCLOKNLSOSS-SECBINFHSA-N 1 0 380.901 2.782 20 0 GFADRO Cc1cc(F)c(NC(=O)N2CC[C@@H]([C@@H](C)[NH3+])C2)c(I)c1 ZINC000415391420 563772061 /nfs/dbraw/zinc/77/20/61/563772061.db2.gz LQYQOTYZVUFEIW-NXEZZACHSA-N 1 0 391.228 2.940 20 0 GFADRO Cc1cc(F)c(NC(=O)N2CC[C@](C)(C[NH3+])C2)c(I)c1 ZINC000415403543 563773274 /nfs/dbraw/zinc/77/32/74/563773274.db2.gz LMLOZACXVUNFOO-CQSZACIVSA-N 1 0 391.228 2.941 20 0 GFADRO CCCN(C(=O)C(=O)Nc1cc(C(F)(F)F)ccc1Cl)[C@H]1CC[NH2+]C1 ZINC000415399415 563772829 /nfs/dbraw/zinc/77/28/29/563772829.db2.gz YBBXIZCKFRBQHE-NSHDSACASA-N 1 0 377.794 2.898 20 0 GFADRO C[C@H]([NH3+])C1CCN(C(=O)C(=O)Nc2cc(Cl)ccc2Br)CC1 ZINC000415395244 563772863 /nfs/dbraw/zinc/77/28/63/563772863.db2.gz MKVKOBMRHFNUCW-VIFPVBQESA-N 1 0 388.693 2.627 20 0 GFADRO Cc1cc(F)c(NC(=O)N2C[C@H]([NH3+])[C@@H](C)C2)c(I)c1 ZINC000415407276 563773031 /nfs/dbraw/zinc/77/30/31/563773031.db2.gz QJMVQYZYQJPNLO-KWQFWETISA-N 1 0 377.201 2.550 20 0 GFADRO C[C@@H]1CCCN(C(=O)Nc2ccc(S(C)(=O)=O)c(C(F)F)c2)[C@@H]1C[NH3+] ZINC000415440891 563776274 /nfs/dbraw/zinc/77/62/74/563776274.db2.gz SBLIKYJDYMJPMZ-ZWNOBZJWSA-N 1 0 375.441 2.619 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)Nc2cc(Cl)ccc2Br)C1 ZINC000415453232 563776924 /nfs/dbraw/zinc/77/69/24/563776924.db2.gz UQEPDPCHXAJYFM-ZJUUUORDSA-N 1 0 388.693 2.627 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)Nc2cc(Cl)cc(C(F)(F)F)c2)C1 ZINC000415452115 563776939 /nfs/dbraw/zinc/77/69/39/563776939.db2.gz XZDCDDRKMYDEHE-UWVGGRQHSA-N 1 0 377.794 2.883 20 0 GFADRO O=C(NCC[NH2+]C1CCCCCC1)C(=O)Nc1nc(C(F)(F)F)cs1 ZINC000415458078 563776971 /nfs/dbraw/zinc/77/69/71/563776971.db2.gz UIBNOYLISBMIML-UHFFFAOYSA-N 1 0 378.420 2.529 20 0 GFADRO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)C[NH2+][C@@H]1CCO[C@@H]1C1CC1 ZINC000365191945 563777006 /nfs/dbraw/zinc/77/70/06/563777006.db2.gz UMZQKHXCKKKHOD-CZUORRHYSA-N 1 0 387.263 2.876 20 0 GFADRO COC(=O)c1cc(Br)c(F)cc1NC(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000415469086 563777634 /nfs/dbraw/zinc/77/76/34/563777634.db2.gz KVXZYLQBZQMJAP-BDAKNGLRSA-N 1 0 388.237 2.624 20 0 GFADRO C[C@@H]1CCCN(C(=O)Nc2cc(Br)cnc2-n2cccn2)[C@@H]1C[NH3+] ZINC000415479901 563778352 /nfs/dbraw/zinc/77/83/52/563778352.db2.gz IIYZCYFNDIMQPJ-BXUZGUMPSA-N 1 0 393.289 2.621 20 0 GFADRO O=C(NCCN1CC[NH2+]CC1)Nc1ccc(Br)c(Cl)c1Cl ZINC000415474508 563778407 /nfs/dbraw/zinc/77/84/07/563778407.db2.gz LNRQYICKTZLKAI-UHFFFAOYSA-N 1 0 396.116 2.783 20 0 GFADRO CCCC[C@H](C[NH3+])NC(=O)C(=O)Nc1cc(Cl)cc(C)c1Br ZINC000415502986 563779628 /nfs/dbraw/zinc/77/96/28/563779628.db2.gz UDVPDLXLGIOWOC-LLVKDONJSA-N 1 0 390.709 2.983 20 0 GFADRO CCCN(C(=O)C(=O)Nc1c(C)cc(Br)cc1C)C1CC[NH2+]CC1 ZINC000415496994 563779782 /nfs/dbraw/zinc/77/97/82/563779782.db2.gz HRULKNHYMSJOIC-UHFFFAOYSA-N 1 0 396.329 2.995 20 0 GFADRO Cc1c(C(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)cnn1-c1cccc(Br)c1 ZINC000365363279 563780606 /nfs/dbraw/zinc/78/06/06/563780606.db2.gz YJVRINOIABENOK-DYVFJYSZSA-N 1 0 389.297 2.767 20 0 GFADRO COc1cc(OC)c(NC(=O)N[C@@H](CC[NH3+])C(F)F)cc1Br ZINC000415528080 563782605 /nfs/dbraw/zinc/78/26/05/563782605.db2.gz LRKWUKOWODCZLY-QMMMGPOBSA-N 1 0 382.205 2.570 20 0 GFADRO O=S1(=O)CCCN1CC[NH2+][C@@H]1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000442876231 563782703 /nfs/dbraw/zinc/78/27/03/563782703.db2.gz PJLGKQWVPBDDCP-GOEBONIOSA-N 1 0 376.444 2.967 20 0 GFADRO CCOC[C@@H]1CCC[C@@H]1[NH2+]CCNS(=O)(=O)c1ccc(Cl)cc1F ZINC000442887974 563782789 /nfs/dbraw/zinc/78/27/89/563782789.db2.gz CLQLXAURNVJFBH-WFASDCNBSA-N 1 0 378.897 2.552 20 0 GFADRO COC(=O)[C@@H]1CN(CCCS(=O)(=O)C(C)C)C[C@H]1c1ccc(Cl)cc1 ZINC000292353901 563783348 /nfs/dbraw/zinc/78/33/48/563783348.db2.gz HQQCZLPMOVLOTG-DLBZAZTESA-N 1 0 387.929 2.742 20 0 GFADRO C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)Nc1c(F)cc(F)cc1Br ZINC000415546297 563783771 /nfs/dbraw/zinc/78/37/71/563783771.db2.gz AMDVYUWHYHSDCD-RDDDGLTNSA-N 1 0 378.217 2.962 20 0 GFADRO Cc1cc(Cl)cc(NC(=O)C(=O)N2C[C@@H](C[NH3+])C[C@@H]2C)c1Br ZINC000415538710 563783815 /nfs/dbraw/zinc/78/38/15/563783815.db2.gz ISVHLXKJRBGFED-VHSXEESVSA-N 1 0 388.693 2.545 20 0 GFADRO CSC[C@](C)(O)CNC(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1cccc(Cl)c1 ZINC000365455665 563784018 /nfs/dbraw/zinc/78/40/18/563784018.db2.gz KINQAOUATFWZTR-QILLFSRXSA-N 1 0 385.961 2.746 20 0 GFADRO CO[C@@H]1CCN(C(=O)Nc2cc(Br)c(F)cc2F)[C@@H](C[NH3+])C1 ZINC000415554553 563784287 /nfs/dbraw/zinc/78/42/87/563784287.db2.gz HFCXYGODEGNRJB-RKDXNWHRSA-N 1 0 378.217 2.697 20 0 GFADRO C[NH2+]CCC1CCN(C(=O)C(=O)Nc2cc(C)c(Br)c(C)c2)CC1 ZINC000415550202 563784647 /nfs/dbraw/zinc/78/46/47/563784647.db2.gz LYYKJVNWFLSNMC-UHFFFAOYSA-N 1 0 396.329 2.853 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)Nc2cnn(-c3ccc(Cl)cc3Cl)c2)CCCO1 ZINC000415576541 563785305 /nfs/dbraw/zinc/78/53/05/563785305.db2.gz WBZMPMSHFGGNFY-ZDUSSCGKSA-N 1 0 384.267 2.761 20 0 GFADRO O=C(c1n[nH]c2ccc(Br)cc21)N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000365538617 563786145 /nfs/dbraw/zinc/78/61/45/563786145.db2.gz NSXRUSRIJKGGFI-PEYYIBSZSA-N 1 0 389.297 2.882 20 0 GFADRO COc1ccc(NC(=O)N2C[C@@H](C)[NH2+]C[C@@H]2C)c(I)c1 ZINC000415593487 563786447 /nfs/dbraw/zinc/78/64/47/563786447.db2.gz HDUJGDKLJDPFCC-ZJUUUORDSA-N 1 0 389.237 2.514 20 0 GFADRO CC(C)c1cc(Br)ccc1NC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000415610722 563788018 /nfs/dbraw/zinc/78/80/18/563788018.db2.gz IQZNYVUGXMNKJJ-XHDPSFHLSA-N 1 0 382.302 2.625 20 0 GFADRO CC(C)c1cc(Br)ccc1NC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000415610720 563788317 /nfs/dbraw/zinc/78/83/17/563788317.db2.gz IQZNYVUGXMNKJJ-IAQYHMDHSA-N 1 0 382.302 2.625 20 0 GFADRO O=C(NCCC[C@H]1CCC[NH2+]1)Nc1ccnn1-c1ccc(Br)cn1 ZINC000415629271 563788684 /nfs/dbraw/zinc/78/86/84/563788684.db2.gz BBWRJKGOCHEXBC-CYBMUJFWSA-N 1 0 393.289 2.684 20 0 GFADRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)Nc1ccc(Br)c2ccccc12 ZINC000415632474 563789396 /nfs/dbraw/zinc/78/93/96/563789396.db2.gz XWQJZHGKLZUEGJ-MEDUHNTESA-N 1 0 390.281 2.655 20 0 GFADRO CCC[NH2+]CCNC(=O)Nc1cc(Br)cc(C(=O)N2CCCC2)c1 ZINC000415643164 563790158 /nfs/dbraw/zinc/79/01/58/563790158.db2.gz XBKOEXHQUDVEMO-UHFFFAOYSA-N 1 0 397.317 2.806 20 0 GFADRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)Nc1ccc(-c2ccc(Cl)s2)nc1 ZINC000415659638 563790751 /nfs/dbraw/zinc/79/07/51/563790751.db2.gz SMGNWRWCMLKVNW-CMPLNLGQSA-N 1 0 378.885 2.516 20 0 GFADRO CC(C)Oc1cc(Br)cc(NC(=O)C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000415665074 563790902 /nfs/dbraw/zinc/79/09/02/563790902.db2.gz ZTAFCAVZHGLSQS-OLZOCXBDSA-N 1 0 398.301 2.561 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N2CCC[C@@H](CC[NH3+])C2)c(Br)c1 ZINC000415677298 563791137 /nfs/dbraw/zinc/79/11/37/563791137.db2.gz MNAXPYWSRIOWBV-ZDUSSCGKSA-N 1 0 382.302 2.592 20 0 GFADRO COC(=O)c1cc(NC(=O)N[C@H]2CC[NH2+][C@@H](C)C2)c(C)cc1Br ZINC000415704807 563792104 /nfs/dbraw/zinc/79/21/04/563792104.db2.gz IEFCVOQIODGTGV-QWRGUYRKSA-N 1 0 384.274 2.806 20 0 GFADRO COC(=O)c1cc(NC(=O)N[C@H]2CCC[C@@H]([NH3+])C2)c(C)cc1Br ZINC000415711097 563792577 /nfs/dbraw/zinc/79/25/77/563792577.db2.gz RRXVSZSWZRXHKX-MNOVXSKESA-N 1 0 384.274 2.936 20 0 GFADRO Cc1cc(Br)cc(NC(=O)C(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)c1 ZINC000415724283 563793251 /nfs/dbraw/zinc/79/32/51/563793251.db2.gz KNISRWPYZDSENF-JOCQHMNTSA-N 1 0 382.302 2.577 20 0 GFADRO Cc1ccc(Br)c(NC(=O)C(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)c1 ZINC000415726826 563793376 /nfs/dbraw/zinc/79/33/76/563793376.db2.gz PFCZHRDUIJGYDB-JOCQHMNTSA-N 1 0 382.302 2.577 20 0 GFADRO [NH3+]C[C@H]1CCN(C(=O)Nc2cc(Cl)ccc2I)C1 ZINC000415751508 563794494 /nfs/dbraw/zinc/79/44/94/563794494.db2.gz APPHVHCEBCBSLZ-MRVPVSSYSA-N 1 0 379.629 2.757 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)Nc1ccn(-c2ccc(Br)cc2)n1 ZINC000415758889 563794931 /nfs/dbraw/zinc/79/49/31/563794931.db2.gz PLCKWGOUNPATDS-SWLSCSKDSA-N 1 0 392.301 3.368 20 0 GFADRO Cn1nccc1CN1C[C@@H](F)C[C@H]1C[N@H+](C)Cc1cccc(Br)n1 ZINC000292778603 563795032 /nfs/dbraw/zinc/79/50/32/563795032.db2.gz JHPNWKFBZJLUTQ-BBRMVZONSA-N 1 0 396.308 2.622 20 0 GFADRO C[C@@H](CCCC[NH3+])NC(=O)Nc1ccn(-c2ccc(Br)cc2)n1 ZINC000415760739 563795202 /nfs/dbraw/zinc/79/52/02/563795202.db2.gz SSTKJDSYEZOMRG-LBPRGKRZSA-N 1 0 380.290 3.274 20 0 GFADRO Cc1ccc(NC(=O)C(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)c(Br)c1 ZINC000415770386 563795616 /nfs/dbraw/zinc/79/56/16/563795616.db2.gz YUBKWRLXEIOVPC-AWEZNQCLSA-N 1 0 394.313 2.544 20 0 GFADRO O=C(Nc1ccc(C(F)(F)F)cc1Cl)C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000415774485 563796207 /nfs/dbraw/zinc/79/62/07/563796207.db2.gz YLFNTDXGYVEWMV-SKDRFNHKSA-N 1 0 375.778 2.508 20 0 GFADRO Cc1csc(Sc2ccc(NC(=O)C(=O)N[C@@H](C)[C@H](C)[NH3+])c(C)c2)n1 ZINC000415787530 563796424 /nfs/dbraw/zinc/79/64/24/563796424.db2.gz PHESFSOLUNRKHE-RYUDHWBXSA-N 1 0 378.523 2.702 20 0 GFADRO C[C@@H]([NH3+])[C@H](C)NC(=O)C(=O)Nc1ccc(Br)c(Cl)c1Cl ZINC000415801911 563796883 /nfs/dbraw/zinc/79/68/83/563796883.db2.gz GWKYSNIGEMTGAU-RITPCOANSA-N 1 0 383.073 2.546 20 0 GFADRO [NH3+][C@H]1CCC[C@@H](CNC(=O)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)C1 ZINC000415802706 563797075 /nfs/dbraw/zinc/79/70/75/563797075.db2.gz GIYVRKRZMNZIAE-KOLCDFICSA-N 1 0 377.794 2.931 20 0 GFADRO CC(C)(C(=O)N1CCN([C@H]2CCOC2)CC1)c1cccc(Br)c1 ZINC000366074907 563798567 /nfs/dbraw/zinc/79/85/67/563798567.db2.gz IPTWKWYCUSIDJR-INIZCTEOSA-N 1 0 381.314 2.660 20 0 GFADRO C[C@@H]1CCN(C(=O)C(=O)Nc2cc(Cl)cc(C(F)(F)F)c2)C[C@H]1C[NH3+] ZINC000415836168 563799037 /nfs/dbraw/zinc/79/90/37/563799037.db2.gz BWKCXHABZHKNSW-NXEZZACHSA-N 1 0 377.794 2.741 20 0 GFADRO [NH3+]CC[C@H](NC(=O)C(=O)Nc1ccc(C(F)(F)F)cc1Cl)C(F)(F)F ZINC000415830668 563799044 /nfs/dbraw/zinc/79/90/44/563799044.db2.gz GPXBYTSHALVQGD-VIFPVBQESA-N 1 0 391.699 2.693 20 0 GFADRO O=C(N[C@H](CCO)c1ccc(Cl)c(Cl)c1)N[C@@H]1CCc2[nH]cnc2C1 ZINC000366095701 563799210 /nfs/dbraw/zinc/79/92/10/563799210.db2.gz UQRKWKIHWOJQCA-BXUZGUMPSA-N 1 0 383.279 2.997 20 0 GFADRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)C(=O)Nc2ccc(-c3ccc(Cl)s3)nc2)C1 ZINC000415850077 563799472 /nfs/dbraw/zinc/79/94/72/563799472.db2.gz ZOVQXHBHBUYRSW-GHMZBOCLSA-N 1 0 378.885 2.646 20 0 GFADRO [NH3+]CC[C@@H](NC(=O)N1CCc2cccc(Br)c2C1)C(F)(F)F ZINC000416011136 563802271 /nfs/dbraw/zinc/80/22/71/563802271.db2.gz RCTZZGRNLYCYLR-GFCCVEGCSA-N 1 0 380.208 2.797 20 0 GFADRO C[C@H](CC[NH+](C)C)NC(=O)C(=O)Nc1cc(Cl)ccc1OC(F)(F)F ZINC000293159779 563802594 /nfs/dbraw/zinc/80/25/94/563802594.db2.gz SXFFLLYXTNJFPC-SECBINFHSA-N 1 0 381.782 2.634 20 0 GFADRO COc1ccc(Br)c(CNC(=O)N(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)c1 ZINC000443624395 563808796 /nfs/dbraw/zinc/80/87/96/563808796.db2.gz DWXUSIAAFRQEQL-BLLLJJGKSA-N 1 0 384.318 2.939 20 0 GFADRO CS(=O)(=O)C[C@H]1CCN(Cc2cnn(-c3ccc(Br)cc3)c2)C1 ZINC000366562991 563813504 /nfs/dbraw/zinc/81/35/04/563813504.db2.gz STPLFDLLYQWRFY-ZDUSSCGKSA-N 1 0 398.326 2.501 20 0 GFADRO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)CCCOc1ccccc1Br ZINC000416299557 563814136 /nfs/dbraw/zinc/81/41/36/563814136.db2.gz SEZKAQWUQGOWFH-GJZGRUSLSA-N 1 0 399.329 2.522 20 0 GFADRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1nc(C2CC2)ncc1Br ZINC000366572462 563814311 /nfs/dbraw/zinc/81/43/11/563814311.db2.gz SCTTVRIVHDSADZ-YPMHNXCESA-N 1 0 379.302 2.815 20 0 GFADRO O[C@H](COCC(F)(F)F)C[NH+]1CCC(c2nc(C(F)(F)F)c[nH]2)CC1 ZINC000366597512 563815453 /nfs/dbraw/zinc/81/54/53/563815453.db2.gz NTHSHEFQXSUAOV-JTQLQIEISA-N 1 0 375.313 2.548 20 0 GFADRO O=C(c1cn(-c2ccc(Br)cc2)cn1)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000366737621 563818760 /nfs/dbraw/zinc/81/87/60/563818760.db2.gz IDVUDFIVKVKKLK-INIZCTEOSA-N 1 0 389.297 2.945 20 0 GFADRO C[C@@H]([NH2+]C1(Cc2ccc(F)cc2Br)CCOCC1)c1nnnn1C ZINC000293565998 563818943 /nfs/dbraw/zinc/81/89/43/563818943.db2.gz MNZJGNCJWOYDNE-LLVKDONJSA-N 1 0 398.280 2.554 20 0 GFADRO C[C@@H]1[C@H]([N@H+](C)CCO)CCN1C(=O)c1cc2cc(Br)ccc2o1 ZINC000293671389 563820875 /nfs/dbraw/zinc/82/08/75/563820875.db2.gz MIQZNUFVERULIH-BXUZGUMPSA-N 1 0 381.270 2.722 20 0 GFADRO Cc1sccc1C[NH2+]Cc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 ZINC000293673521 563821244 /nfs/dbraw/zinc/82/12/44/563821244.db2.gz UYPSQOWOHBAUHT-KRWDZBQOSA-N 1 0 380.535 2.804 20 0 GFADRO O=C(Nc1cc(-c2cc(Br)ccc2Cl)[nH]n1)[C@H]1C[C@]12CC[NH2+]C2 ZINC000444116768 563822054 /nfs/dbraw/zinc/82/20/54/563822054.db2.gz QTCKEKCFLPLCKY-BZNIZROVSA-N 1 0 395.688 3.431 20 0 GFADRO CC[N@H+](CCNS(=O)(=O)c1cc(N(C)C)ccc1Br)C(C)C ZINC000444169321 563823399 /nfs/dbraw/zinc/82/33/99/563823399.db2.gz QUMHRFKECQBRIT-UHFFFAOYSA-N 1 0 392.363 2.524 20 0 GFADRO O=C(NCC[C@H]1CCC[NH2+]1)[C@@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl ZINC000444265248 563826542 /nfs/dbraw/zinc/82/65/42/563826542.db2.gz FQCDXGQNKDSKTB-CJNGLKHVSA-N 1 0 384.307 2.856 20 0 GFADRO C[C@H](CNC(=O)c1ncc(Br)cc1Br)C[NH+](C)C ZINC000294400193 563841176 /nfs/dbraw/zinc/84/11/76/563841176.db2.gz WZTWQHNSCQYTDS-MRVPVSSYSA-N 1 0 379.096 2.534 20 0 GFADRO Cc1c(I)cccc1C(=O)Nc1cnc2c(c1)C[NH2+]CC2 ZINC000367378536 563842221 /nfs/dbraw/zinc/84/22/21/563842221.db2.gz HYXOCODUJXBDAE-UHFFFAOYSA-N 1 0 393.228 2.893 20 0 GFADRO Cc1ccc(S(=O)(=O)NCC2CC[NH+](C3CC3)CC2)cc1Br ZINC000445067574 563842635 /nfs/dbraw/zinc/84/26/35/563842635.db2.gz QASNGCIFHLADMA-UHFFFAOYSA-N 1 0 387.343 2.910 20 0 GFADRO O=C1CC[C@@H]([NH2+]Cc2nc(-c3ccc(Br)cc3)c[nH]2)[C@H](C2CC2)N1 ZINC000367423776 563844424 /nfs/dbraw/zinc/84/44/24/563844424.db2.gz NFPUYPIYYFNYJY-KDOFPFPSSA-N 1 0 389.297 2.986 20 0 GFADRO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@H]1CCC(=O)N[C@H]1C1CC1 ZINC000367439446 563845019 /nfs/dbraw/zinc/84/50/19/563845019.db2.gz UPPJQRAYOYKOAZ-PSZVPEGOSA-N 1 0 394.313 2.813 20 0 GFADRO C[N@@H+]1CCC[C@H](CCNS(=O)(=O)Cc2ccc(Br)c(F)c2)C1 ZINC000416559978 563848440 /nfs/dbraw/zinc/84/84/40/563848440.db2.gz RMPFZRPWPUOEFC-GFCCVEGCSA-N 1 0 393.322 2.740 20 0 GFADRO Cc1cc(Br)c(S(=O)(=O)NCC[C@@H]2CCC[N@@H+](C)C2)s1 ZINC000416563363 563849430 /nfs/dbraw/zinc/84/94/30/563849430.db2.gz YAPYNAFZWMKFLJ-NSHDSACASA-N 1 0 381.361 2.829 20 0 GFADRO O=C(NCCC[NH2+][C@@H]1CCCc2n[nH]cc21)c1cccc(Br)c1 ZINC000367598294 563849951 /nfs/dbraw/zinc/84/99/51/563849951.db2.gz DLISCVYRKXPGPB-OAHLLOKOSA-N 1 0 377.286 2.959 20 0 GFADRO COc1ccc(S(=O)(=O)N2C[C@@H]([NH+]3CCCC3)[C@@H](SC)C2)cc1Cl ZINC000445742818 563853875 /nfs/dbraw/zinc/85/38/75/563853875.db2.gz KXSPZGGKCIHSBK-ZBFHGGJFSA-N 1 0 390.958 2.549 20 0 GFADRO C[C@H](N[C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@H]1C)c1ncc(Br)cn1 ZINC000367864215 563857980 /nfs/dbraw/zinc/85/79/80/563857980.db2.gz JTZJENGTVSXAPM-OCVGTWLNSA-N 1 0 383.334 2.779 20 0 GFADRO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000416727300 563860523 /nfs/dbraw/zinc/86/05/23/563860523.db2.gz FZSNMASNJMGSPP-WDEREUQCSA-N 1 0 377.819 2.860 20 0 GFADRO O=C(Nc1ccc(I)cc1)N[C@H]1CCc2[nH]cnc2C1 ZINC000368001053 563861428 /nfs/dbraw/zinc/86/14/28/563861428.db2.gz MTVUBICVXRFDKY-NSHDSACASA-N 1 0 382.205 2.693 20 0 GFADRO Cc1cc(F)c(Br)cc1NC(=O)N1C[C@H](C)[N@@H+](CCO)C[C@H]1C ZINC000417038903 563865937 /nfs/dbraw/zinc/86/59/37/563865937.db2.gz JTIMCBYPGNEPBQ-NWDGAFQWSA-N 1 0 388.281 2.815 20 0 GFADRO CN1CC[NH+](CC2(C)CCN(C(=O)c3ccc(Br)cc3)CC2)CC1 ZINC000368223631 563866840 /nfs/dbraw/zinc/86/68/40/563866840.db2.gz URADEBQHVLIDBX-UHFFFAOYSA-N 1 0 394.357 2.939 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)NCCc2cccc(Cl)c2Cl)CC12CCOCC2 ZINC000417125873 563868718 /nfs/dbraw/zinc/86/87/18/563868718.db2.gz GBNSJJCTXHBSGL-CQSZACIVSA-N 1 0 386.323 2.933 20 0 GFADRO CN(C(=O)NCCc1ccc(Cl)s1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000368390199 563869887 /nfs/dbraw/zinc/86/98/87/563869887.db2.gz OGKQYQUYPGHRHO-HNNXBMFYSA-N 1 0 384.977 2.754 20 0 GFADRO C[C@H](NC(=O)N[C@H]1CC[C@@H](C[NH3+])C1)c1cc2c(cc1Br)OCCO2 ZINC000417174062 563870374 /nfs/dbraw/zinc/87/03/74/563870374.db2.gz HYANQFMBTLMWAW-TUAOUCFPSA-N 1 0 398.301 2.708 20 0 GFADRO CCC[NH2+]CCNC(=O)NCC1(c2cccc(Br)c2)CCOCC1 ZINC000417183799 563871355 /nfs/dbraw/zinc/87/13/55/563871355.db2.gz RVHXRVVMROVWHB-UHFFFAOYSA-N 1 0 398.345 2.796 20 0 GFADRO CN(C(=O)NCc1cn2cc(Br)ccc2n1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000417225668 563874140 /nfs/dbraw/zinc/87/41/40/563874140.db2.gz SNPDOZLSUHKCPG-NNQSOWQGSA-N 1 0 392.301 2.521 20 0 GFADRO Cc1sc(Br)cc1S(=O)(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000447154367 563875769 /nfs/dbraw/zinc/87/57/69/563875769.db2.gz SVSONLUZMYCJOD-GFCCVEGCSA-N 1 0 399.401 2.535 20 0 GFADRO C[C@@H](Cc1cccc(Br)c1)NC(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000417286103 563876678 /nfs/dbraw/zinc/87/66/78/563876678.db2.gz MNIRNPLYAIARKT-GWCFXTLKSA-N 1 0 376.245 2.677 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)NCc1cc(Br)c2c(c1)OCCO2 ZINC000417295530 563877596 /nfs/dbraw/zinc/87/75/96/563877596.db2.gz FACCMLPWSHKDKX-BXUZGUMPSA-N 1 0 398.301 2.632 20 0 GFADRO C[NH2+]CCC1CCN(C(=O)NCCOc2ccc(Br)cc2)CC1 ZINC000417319470 563877992 /nfs/dbraw/zinc/87/79/92/563877992.db2.gz NVHXATGMKQBCOY-UHFFFAOYSA-N 1 0 384.318 2.859 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000417369350 563878520 /nfs/dbraw/zinc/87/85/20/563878520.db2.gz QXXARNKGPYQDQT-JSGCOSHPSA-N 1 0 397.317 2.513 20 0 GFADRO COc1cc(CNC(=O)N[C@H]2CCC[C@@H]([NH3+])C2)cc(Br)c1OC ZINC000417361747 563878625 /nfs/dbraw/zinc/87/86/25/563878625.db2.gz AJVATCDSWGEOHX-NEPJUHHUSA-N 1 0 386.290 2.535 20 0 GFADRO C[C@@H]1CN(C(=O)NCc2cc(Br)ccc2OC(F)F)[C@@H](C)C[NH2+]1 ZINC000417407430 563879328 /nfs/dbraw/zinc/87/93/28/563879328.db2.gz MXOHOVWDUUQGQP-ZJUUUORDSA-N 1 0 392.244 2.942 20 0 GFADRO C[NH2+][C@H]1CCN(C(=O)NCC2(c3ccc(Br)cc3)CCOCC2)C1 ZINC000417417289 563879668 /nfs/dbraw/zinc/87/96/68/563879668.db2.gz ALJATFKNNBVUIJ-INIZCTEOSA-N 1 0 396.329 2.501 20 0 GFADRO C[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000417429490 563880187 /nfs/dbraw/zinc/88/01/87/563880187.db2.gz VNNUYKPSXMLQBN-XJKSGUPXSA-N 1 0 385.339 2.614 20 0 GFADRO CC(C)C[C@@H](C[NH3+])NC(=O)NCCc1ccc(I)s1 ZINC000417441953 563880519 /nfs/dbraw/zinc/88/05/19/563880519.db2.gz RXHRICZPVHHQCP-JTQLQIEISA-N 1 0 395.310 2.568 20 0 GFADRO O=C(N[C@H]1CCN(c2ccc(Br)cc2)C1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000417477683 563880763 /nfs/dbraw/zinc/88/07/63/563880763.db2.gz GWJSXJDKKPIQCE-WMLDXEAASA-N 1 0 393.329 2.564 20 0 GFADRO [NH3+]C[C@@H](NC(=O)N[C@H]1CCN(c2ccc(Br)cc2)C1)C1CCCC1 ZINC000417484819 563880905 /nfs/dbraw/zinc/88/09/05/563880905.db2.gz VOFSVUVERCYWEN-DOTOQJQBSA-N 1 0 395.345 2.845 20 0 GFADRO O=C(NCCC[C@@H]1CCC[NH2+]1)N[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000417480008 563880947 /nfs/dbraw/zinc/88/09/47/563880947.db2.gz LHCFLTXXIYTOPR-HOTGVXAUSA-N 1 0 395.345 2.859 20 0 GFADRO C[C@@H](CCCC[NH3+])NC(=O)N[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000417482426 563881009 /nfs/dbraw/zinc/88/10/09/563881009.db2.gz PKMRBHFERBWYSM-DZGCQCFKSA-N 1 0 383.334 2.845 20 0 GFADRO CCCC[C@@H](C[NH3+])NC(=O)N[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000417482998 563881216 /nfs/dbraw/zinc/88/12/16/563881216.db2.gz QRALKVRINFHXOV-LSDHHAIUSA-N 1 0 383.334 2.845 20 0 GFADRO O=C1C[C@H]([C@@H]2CCCC[N@H+]2CCOc2cc(F)cc(Br)c2)CN1 ZINC000368883254 563881240 /nfs/dbraw/zinc/88/12/40/563881240.db2.gz YDEWAWZPFWQZGV-LRDDRELGSA-N 1 0 385.277 2.958 20 0 GFADRO COc1c(Br)cccc1C[NH2+][C@@H]1CCCN(Cc2noc(C)n2)C1 ZINC000369018260 563884750 /nfs/dbraw/zinc/88/47/50/563884750.db2.gz LBOCTFXPACTYAL-CQSZACIVSA-N 1 0 395.301 2.903 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000369037884 563884808 /nfs/dbraw/zinc/88/48/08/563884808.db2.gz AEKZLKFGZLMBLA-CVEARBPZSA-N 1 0 382.302 2.820 20 0 GFADRO C[C@@H](C[NH3+])N(C)C(=O)NCCSCCOc1cccc(Br)c1 ZINC000417591358 563885547 /nfs/dbraw/zinc/88/55/47/563885547.db2.gz IHPZKMNNQSORJC-LBPRGKRZSA-N 1 0 390.347 2.550 20 0 GFADRO CN(CC(C)(C)C[NH3+])C(=O)N[C@H]1CCN(c2ccccc2Br)C1 ZINC000417603569 563886370 /nfs/dbraw/zinc/88/63/70/563886370.db2.gz RXIONHGJGHJIHM-ZDUSSCGKSA-N 1 0 383.334 2.654 20 0 GFADRO C[C@@H](CCCC[NH3+])NC(=O)NCCOc1ncc(C(F)(F)F)cc1Cl ZINC000417739639 563887892 /nfs/dbraw/zinc/88/78/92/563887892.db2.gz QMMBRMSOGNBEQQ-JTQLQIEISA-N 1 0 382.814 2.949 20 0 GFADRO O=C(NCC1(c2ccccc2Br)CC1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000417737990 563888161 /nfs/dbraw/zinc/88/81/61/563888161.db2.gz WRBQAWHVKDTSOF-BBRMVZONSA-N 1 0 378.314 2.874 20 0 GFADRO C[NH2+]C[C@H]1CCCN(C(=O)NC[C@@H](C)Oc2ccc(Br)cc2)C1 ZINC000417766784 563888728 /nfs/dbraw/zinc/88/87/28/563888728.db2.gz APRIJTRUYFKFJO-ZIAGYGMSSA-N 1 0 384.318 2.857 20 0 GFADRO C[C@H](CNC(=O)NCC[C@@H]1CCC[NH2+]C1)Oc1ccc(Br)cc1 ZINC000417777859 563889283 /nfs/dbraw/zinc/88/92/83/563889283.db2.gz SDDCUTBPHBVGCX-KGLIPLIRSA-N 1 0 384.318 2.905 20 0 GFADRO Cc1cc(N2CCC[C@H]([N@@H+]3C[C@H](O)C(C)(C)C3)C2=O)ccc1Br ZINC000447874120 563889318 /nfs/dbraw/zinc/88/93/18/563889318.db2.gz VLGQFUXQKPZFNG-HOTGVXAUSA-N 1 0 381.314 2.956 20 0 GFADRO C[NH2+]C[C@@H]1CCCN(C(=O)NC[C@H](C)Oc2cccc(Br)c2)C1 ZINC000417794383 563889740 /nfs/dbraw/zinc/88/97/40/563889740.db2.gz MTZZBYBWSATCHK-KBPBESRZSA-N 1 0 384.318 2.857 20 0 GFADRO C[C@H](CNC(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1)Oc1ccccc1Br ZINC000417824869 563889792 /nfs/dbraw/zinc/88/97/92/563889792.db2.gz MGTMRNHVOSISKV-MGPQQGTHSA-N 1 0 384.318 2.843 20 0 GFADRO C[C@H](CNC(=O)N[C@@H]1C[NH2+]CCC1(F)F)Oc1ccccc1Br ZINC000417827248 563890262 /nfs/dbraw/zinc/89/02/62/563890262.db2.gz PIJFTERWPVLFSA-ZWNOBZJWSA-N 1 0 392.244 2.513 20 0 GFADRO C[C@H](CNC(=O)NC[C@@]1(C)CCC[NH2+]C1)Oc1ccccc1Br ZINC000417826045 563890410 /nfs/dbraw/zinc/89/04/10/563890410.db2.gz NTXMGZFUTCOKBG-DYVFJYSZSA-N 1 0 384.318 2.905 20 0 GFADRO CO[C@H]1CCN(C(=O)NCCc2nc3cc(Cl)ccc3s2)[C@H](C[NH3+])C1 ZINC000417884045 563890983 /nfs/dbraw/zinc/89/09/83/563890983.db2.gz WFICEVVFZANDIL-STQMWFEESA-N 1 0 382.917 2.640 20 0 GFADRO O=C(NCCc1cc(Cl)ccc1Br)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000417907781 563891513 /nfs/dbraw/zinc/89/15/13/563891513.db2.gz FLNCGMVNOOMBPK-STQMWFEESA-N 1 0 386.721 2.896 20 0 GFADRO CO[C@@H]1CCN(C(=O)N[C@H](C)Cc2ccccc2Br)[C@@H](C[NH3+])C1 ZINC000417902320 563891530 /nfs/dbraw/zinc/89/15/30/563891530.db2.gz WYHFIUYLKSKECY-BPLDGKMQSA-N 1 0 384.318 2.528 20 0 GFADRO C[C@H](Cc1cc(Br)ccc1F)NC(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000417940033 563892069 /nfs/dbraw/zinc/89/20/69/563892069.db2.gz KWLXWHMXPJAPCH-MBNYWOFBSA-N 1 0 384.293 2.770 20 0 GFADRO NC(=O)C1CCN(C[C@@H]([NH2+]C[C@@H]2CCSC2)c2ccc(Cl)cc2)CC1 ZINC000448021021 563892877 /nfs/dbraw/zinc/89/28/77/563892877.db2.gz GHKPYOFXJNFUTK-KBXCAEBGSA-N 1 0 381.973 2.921 20 0 GFADRO COc1cc(Br)ccc1CCCNC(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000417993318 563894066 /nfs/dbraw/zinc/89/40/66/563894066.db2.gz AODGYRLJPNDNDH-CABCVRRESA-N 1 0 396.329 2.641 20 0 GFADRO CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000418003508 563894584 /nfs/dbraw/zinc/89/45/84/563894584.db2.gz YKJQDPSCWUAYQM-RKLWJJNISA-N 1 0 384.318 2.952 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)NCc2cc(Br)cc3c2OCC3)C1 ZINC000418014492 563895631 /nfs/dbraw/zinc/89/56/31/563895631.db2.gz OQQVUJYHNJDECP-AAEUAGOBSA-N 1 0 382.302 2.653 20 0 GFADRO COCC[N@@H+]1CC[C@H](NC(=O)Nc2ccc(Br)c(Cl)c2)C1 ZINC000448330667 563895940 /nfs/dbraw/zinc/89/59/40/563895940.db2.gz FGGWGOKALHOCOO-NSHDSACASA-N 1 0 376.682 2.945 20 0 GFADRO CCCOC[C@H](Cc1cccc(Br)c1)NC(=O)NC[C@H]1CCC[NH2+]1 ZINC000418036529 563896504 /nfs/dbraw/zinc/89/65/04/563896504.db2.gz WHBPBXXDMWLAAZ-SJORKVTESA-N 1 0 398.345 2.838 20 0 GFADRO CO[C@@H]1CCN(C(=O)N[C@H](C)c2ccc(Br)s2)[C@@H](C[NH3+])C1 ZINC000418057743 563896790 /nfs/dbraw/zinc/89/67/90/563896790.db2.gz NJMIGSMUBWQBKN-GMTAPVOTSA-N 1 0 376.320 2.719 20 0 GFADRO [NH3+][C@@H]1CCC[C@H](NC(=O)N[C@@H]2CCN(c3cccc(Br)c3)C2)C1 ZINC000418089188 563898571 /nfs/dbraw/zinc/89/85/71/563898571.db2.gz BFFCVVFZCISCLV-QLFBSQMISA-N 1 0 381.318 2.597 20 0 GFADRO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1Cc1ccc(OC(F)F)c(Br)c1 ZINC000418111058 563899024 /nfs/dbraw/zinc/89/90/24/563899024.db2.gz KIEXACKKHVQIBD-NWDGAFQWSA-N 1 0 393.272 2.937 20 0 GFADRO O=C(N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000418124302 563899384 /nfs/dbraw/zinc/89/93/84/563899384.db2.gz ZCYGSVMZESBSBO-XGWLTEMNSA-N 1 0 382.277 2.839 20 0 GFADRO O=C(N[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000418145366 563899849 /nfs/dbraw/zinc/89/98/49/563899849.db2.gz MTIYJHIWVPVDJA-JKIFEVAISA-N 1 0 383.323 2.538 20 0 GFADRO Cc1cc(CNC(=O)NCC[C@H]2CCC[NH2+]2)ccc1I ZINC000418135535 563900079 /nfs/dbraw/zinc/90/00/79/563900079.db2.gz AYOXXXUJDLGNSY-CYBMUJFWSA-N 1 0 387.265 2.541 20 0 GFADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[N@H+](C)C[C@H]1CCCCO1 ZINC000449020945 563905756 /nfs/dbraw/zinc/90/57/56/563905756.db2.gz RGZXBZOLINKRKW-CZUORRHYSA-N 1 0 399.329 2.963 20 0 GFADRO Cc1cc(Br)c(C[NH2+]C2CCN(S(C)(=O)=O)CC2)cc1Cl ZINC000449075400 563906471 /nfs/dbraw/zinc/90/64/71/563906471.db2.gz QUTZNQSBYWBUTO-UHFFFAOYSA-N 1 0 395.750 2.925 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1CN[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000449173958 563907891 /nfs/dbraw/zinc/90/78/91/563907891.db2.gz OPMOMWONBMEUFE-HEHGZKQESA-N 1 0 398.345 2.535 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+][C@H]1C[C@H](OC)C1(C)C ZINC000449173222 563907921 /nfs/dbraw/zinc/90/79/21/563907921.db2.gz NMERRXIOXWIJPD-UVBJJODRSA-N 1 0 399.329 2.866 20 0 GFADRO CN(C)C(=O)[C@@H]1CC[C@@H](C[NH2+]Cc2ccnc3c(Br)cccc23)O1 ZINC000449203822 563908178 /nfs/dbraw/zinc/90/81/78/563908178.db2.gz LFTRVCRUFOTQQM-BBRMVZONSA-N 1 0 392.297 2.723 20 0 GFADRO O=S1(=O)CCO[C@H](C[NH2+][C@@H]2CCCc3nc(-c4ccccc4)sc32)C1 ZINC000537964276 564178354 /nfs/dbraw/zinc/17/83/54/564178354.db2.gz LHELZAMASXKAQD-HUUCEWRRSA-N 1 0 378.519 2.591 20 0 GFADRO C[C@@H](CO)[N@@H+]1CCCN(Cc2ccnc3c(Br)cccc23)CC1 ZINC000449271068 564178413 /nfs/dbraw/zinc/17/84/13/564178413.db2.gz FJVGXXOHICKGBB-AWEZNQCLSA-N 1 0 378.314 2.886 20 0 GFADRO CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]C[C@@H](O)Cc1cccc(F)c1 ZINC000449363293 564182483 /nfs/dbraw/zinc/18/24/83/564182483.db2.gz PDKRWBBZVCVCSY-INIZCTEOSA-N 1 0 385.888 2.966 20 0 GFADRO COC[C@@](C)(O)CC[NH2+]Cc1cn(-c2ccc(Br)cc2)nc1C ZINC000449386626 564182887 /nfs/dbraw/zinc/18/28/87/564182887.db2.gz UQYQIPBXARWDIZ-KRWDZBQOSA-N 1 0 382.302 2.820 20 0 GFADRO Cc1cc(S(=O)(=O)N2CCC(CC[NH3+])CC2)c(F)cc1Br ZINC000563274936 564183258 /nfs/dbraw/zinc/18/32/58/564183258.db2.gz AGTSREXKGOFJOX-UHFFFAOYSA-N 1 0 379.295 2.646 20 0 GFADRO C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]C[C@H]1CCCN1CCCO ZINC000449390421 564183983 /nfs/dbraw/zinc/18/39/83/564183983.db2.gz WATFZBXNBIRKTF-WMLDXEAASA-N 1 0 398.345 2.603 20 0 GFADRO OCCN1CCCC[C@@H]1C[NH2+]CC1=Cc2cc(Br)ccc2OC1 ZINC000449388740 564184063 /nfs/dbraw/zinc/18/40/63/564184063.db2.gz BBEYVNMODNPSHW-QGZVFWFLSA-N 1 0 381.314 2.661 20 0 GFADRO CC[N@H+](CCNC(=O)C(=O)Nc1cc(F)c(Br)c(F)c1)C(C)C ZINC000538173077 564184248 /nfs/dbraw/zinc/18/42/48/564184248.db2.gz NRFZVVCUQLAUPA-UHFFFAOYSA-N 1 0 392.244 2.512 20 0 GFADRO Cc1cc(C[N@@H+](C)CCN(C)c2ccc(S(N)(=O)=O)cc2)ccc1Cl ZINC000449428641 564186077 /nfs/dbraw/zinc/18/60/77/564186077.db2.gz VYGOICVEOFHHSU-UHFFFAOYSA-N 1 0 381.929 2.864 20 0 GFADRO O=C1NCC[C@H]1CC[N@@H+](Cc1cccc(Br)c1)C1CCOCC1 ZINC000563353197 564187087 /nfs/dbraw/zinc/18/70/87/564187087.db2.gz HRUZRXHMJSFFGN-HNNXBMFYSA-N 1 0 381.314 2.956 20 0 GFADRO O=C1C[C@@H]([NH2+]C2CCN(CC(F)F)CC2)CN1c1ccc(Cl)c(F)c1 ZINC000538307089 564187606 /nfs/dbraw/zinc/18/76/06/564187606.db2.gz VCHJGQAOOJDTGW-GFCCVEGCSA-N 1 0 375.822 2.904 20 0 GFADRO CC[C@@H]([NH2+]C[C@H](O)CN(C)CCOC)c1cc(F)cc(Br)c1 ZINC000563358129 564187738 /nfs/dbraw/zinc/18/77/38/564187738.db2.gz YRELYZVJJAPPNL-JKSUJKDBSA-N 1 0 377.298 2.568 20 0 GFADRO CCN1C[C@@H]([NH2+]Cc2cc(Br)cc(Br)c2N)CC1=O ZINC000449516087 564189167 /nfs/dbraw/zinc/18/91/67/564189167.db2.gz DMTWJQCWMIEDTF-JTQLQIEISA-N 1 0 391.107 2.504 20 0 GFADRO C[C@@H](c1ccc(S(C)(=O)=O)cc1)N1CCC([NH2+][C@H]2CSC[C@H]2C)CC1 ZINC000449515854 564189185 /nfs/dbraw/zinc/18/91/85/564189185.db2.gz BXWPZSSNURHQTG-VCBZYWHSSA-N 1 0 382.595 2.957 20 0 GFADRO COC(=O)C(C)(C)CC[NH2+]C[C@@H](CO)Cc1cc(Br)ccc1F ZINC000449599189 564190899 /nfs/dbraw/zinc/19/08/99/564190899.db2.gz KGOZPKZJWZZSPS-LBPRGKRZSA-N 1 0 390.293 2.918 20 0 GFADRO COc1ccc(C[C@H](CO)C[NH2+][C@H](C)CCn2cccn2)cc1Br ZINC000449597124 564191073 /nfs/dbraw/zinc/19/10/73/564191073.db2.gz DASYRZRZXLHKSL-ZBFHGGJFSA-N 1 0 396.329 2.874 20 0 GFADRO COc1ccc(C[C@@H](CO)C[NH2+]Cc2nc(C)ccc2O)cc1Br ZINC000449599959 564191171 /nfs/dbraw/zinc/19/11/71/564191171.db2.gz MTTIZZOIDNMNMB-CQSZACIVSA-N 1 0 395.297 2.808 20 0 GFADRO CCn1nnc(C)c1C[NH2+]C[C@@H](CO)Cc1ccc(C)c(Br)c1 ZINC000449600667 564192004 /nfs/dbraw/zinc/19/20/04/564192004.db2.gz OXTWMTYMKXQMIM-HNNXBMFYSA-N 1 0 381.318 2.618 20 0 GFADRO NC(=O)c1cccc(C[NH2+]C[C@H](CO)Cc2cc(Br)ccc2F)c1 ZINC000449602593 564192367 /nfs/dbraw/zinc/19/23/67/564192367.db2.gz UHTWXEJDDXEHOW-CYBMUJFWSA-N 1 0 395.272 2.628 20 0 GFADRO [NH3+][C@@H]1CCO[C@@H](C2CCN(Cc3cc4c(c(Br)c3)OCO4)CC2)C1 ZINC000563519410 564194162 /nfs/dbraw/zinc/19/41/62/564194162.db2.gz OJEFXCMWRFGJQU-GDBMZVCRSA-N 1 0 397.313 2.896 20 0 GFADRO CCOc1cc(C[N@H+](CCO)[C@H]2CCO[C@H]2C)cc(Br)c1OC ZINC000449678810 564195524 /nfs/dbraw/zinc/19/55/24/564195524.db2.gz QMOLGJLCEPRICP-WFASDCNBSA-N 1 0 388.302 2.828 20 0 GFADRO Cc1c(Br)cccc1C[C@@H](CO)C[NH2+]Cc1cc(C(N)=O)cs1 ZINC000449680445 564195912 /nfs/dbraw/zinc/19/59/12/564195912.db2.gz GVMZJVWLGVOAHP-GFCCVEGCSA-N 1 0 397.338 2.859 20 0 GFADRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)Cc2cccc(Br)c2)C1 ZINC000471549436 564197751 /nfs/dbraw/zinc/19/77/51/564197751.db2.gz VFEXREOIXNLYEF-QGZVFWFLSA-N 1 0 383.330 2.951 20 0 GFADRO [NH3+]CC[C@H](NC(=O)c1cnn(-c2ccc(Br)cc2)c1)C(F)(F)F ZINC000449714006 564197786 /nfs/dbraw/zinc/19/77/86/564197786.db2.gz BAGRMMYZWNQBDV-LBPRGKRZSA-N 1 0 391.191 2.644 20 0 GFADRO C[C@@H](Oc1ccc(F)cc1Br)C(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000449714473 564197953 /nfs/dbraw/zinc/19/79/53/564197953.db2.gz CEPKCVUXZDXJNR-RDDDGLTNSA-N 1 0 387.171 2.751 20 0 GFADRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)c2ccc(I)cc2Cl)C1 ZINC000449725459 564198692 /nfs/dbraw/zinc/19/86/92/564198692.db2.gz ZUWRFZPAMUOVRS-PSASIEDQSA-N 1 0 378.641 2.802 20 0 GFADRO C[NH+](C)C[C@H]1CCCN1C(=O)c1cc(F)c(F)cc1I ZINC000471600500 564199194 /nfs/dbraw/zinc/19/91/94/564199194.db2.gz CGVXBLUMKFTAAS-SECBINFHSA-N 1 0 394.203 2.736 20 0 GFADRO CN(CC[NH+]1CCCC1)S(=O)(=O)c1cc(Cl)c(Br)cc1F ZINC000471602139 564199591 /nfs/dbraw/zinc/19/95/91/564199591.db2.gz MXTSODIFIWYOPO-UHFFFAOYSA-N 1 0 399.713 2.958 20 0 GFADRO CC[NH+](CC)CC[C@H](CO)NC(=O)CCc1cc(F)ccc1Br ZINC000538821012 564202430 /nfs/dbraw/zinc/20/24/30/564202430.db2.gz PLYDDXUEHSDQQR-OAHLLOKOSA-N 1 0 389.309 2.730 20 0 GFADRO O=S1(=O)CCC[C@@H](C[NH2+]Cc2ccc(OC(F)F)c(Br)c2)C1 ZINC000563771149 564206032 /nfs/dbraw/zinc/20/60/32/564206032.db2.gz STZQBIRQIHBKQV-NSHDSACASA-N 1 0 398.269 2.965 20 0 GFADRO COCC[C@H]([NH2+]CCN(C)S(=O)(=O)c1cccs1)c1ccc(F)cc1 ZINC000539053578 564208303 /nfs/dbraw/zinc/20/83/03/564208303.db2.gz SOBBBTSLJXOQPL-INIZCTEOSA-N 1 0 386.514 2.875 20 0 GFADRO Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)[NH2+]C[C@H]1CS(=O)(=O)CCO1 ZINC000539050000 564208322 /nfs/dbraw/zinc/20/83/22/564208322.db2.gz UXIJYKHHXLEAMR-BBRMVZONSA-N 1 0 380.535 2.891 20 0 GFADRO COc1ccc(CC[NH2+][C@H]2CCc3c2cccc3Cl)cc1S(N)(=O)=O ZINC000539048571 564208792 /nfs/dbraw/zinc/20/87/92/564208792.db2.gz PAFZNEJHGCPHLK-INIZCTEOSA-N 1 0 380.897 2.816 20 0 GFADRO C[C@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH2+][C@H]1CC(=O)N(C)C1 ZINC000539069630 564208844 /nfs/dbraw/zinc/20/88/44/564208844.db2.gz PRMMLIWSUYUUCM-KOLCDFICSA-N 1 0 377.794 2.896 20 0 GFADRO CC(C)CSCC[NH2+][C@H](C)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000539052136 564208867 /nfs/dbraw/zinc/20/88/67/564208867.db2.gz FHTWAJRDIJGJJP-MRXNPFEDSA-N 1 0 386.583 2.747 20 0 GFADRO C[NH+](C)[C@]1(CNC(=O)c2ccnc(-c3ccc(Cl)cc3)n2)CCSC1 ZINC000563874058 564210591 /nfs/dbraw/zinc/21/05/91/564210591.db2.gz FJGAJWRMVJOTIF-SFHVURJKSA-N 1 0 376.913 2.964 20 0 GFADRO CCCC[N@H+](C)CCNC(=O)c1c(F)cccc1I ZINC000472087050 564213039 /nfs/dbraw/zinc/21/30/39/564213039.db2.gz QAIBEYAUJFHRLM-UHFFFAOYSA-N 1 0 378.229 2.892 20 0 GFADRO O=c1n(CC[NH2+]C2(c3ccc(Br)cc3)CCC2)nc2ccccn21 ZINC000506888884 564213584 /nfs/dbraw/zinc/21/35/84/564213584.db2.gz KJXWWHCBOBELBY-UHFFFAOYSA-N 1 0 387.281 2.928 20 0 GFADRO C[C@H]([NH2+]CCOc1cccc(S(C)(=O)=O)c1)c1ccc([S@@](C)=O)cc1 ZINC000539369016 564217412 /nfs/dbraw/zinc/21/74/12/564217412.db2.gz YFPHBYUSIPYFHV-LFPIHBKWSA-N 1 0 381.519 2.557 20 0 GFADRO CCS(=O)(=O)c1ccc(CNC(=O)N(CC[NH+](C)C)C2CCCC2)s1 ZINC000472294879 564219204 /nfs/dbraw/zinc/21/92/04/564219204.db2.gz MIEJMMZJAWGDBM-UHFFFAOYSA-N 1 0 387.571 2.558 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CNC(=O)N[C@@H]1COc2cc(F)c(Br)cc21 ZINC000507215855 564222063 /nfs/dbraw/zinc/22/20/63/564222063.db2.gz YRHYZLDZVKBXKQ-IINYFYTJSA-N 1 0 386.265 2.805 20 0 GFADRO COC(=O)c1cc(NC(=O)NCC2CC[NH2+]CC2)c(C)cc1Br ZINC000564189761 564223947 /nfs/dbraw/zinc/22/39/47/564223947.db2.gz WXHZMNHHHCTZLZ-UHFFFAOYSA-N 1 0 384.274 2.665 20 0 GFADRO C[N@H+](CC1CC1)C[C@@H]1CCN(C[C@@H](O)COc2ccc(Br)cc2)C1 ZINC000472451086 564223949 /nfs/dbraw/zinc/22/39/49/564223949.db2.gz VOKRORJGMMNLFU-FUHWJXTLSA-N 1 0 397.357 2.853 20 0 GFADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1Nc1cc(Br)cnc1C(N)=O ZINC000472491074 564224667 /nfs/dbraw/zinc/22/46/67/564224667.db2.gz AFAQZFOOQYXZJA-MLGOLLRUSA-N 1 0 389.297 2.875 20 0 GFADRO COc1c(Br)cc(C[NH2+][C@@H]2COC[C@H]2OC)cc1Br ZINC000564209846 564224828 /nfs/dbraw/zinc/22/48/28/564224828.db2.gz KGJBRHIIIJLNLA-VXGBXAGGSA-N 1 0 395.091 2.724 20 0 GFADRO O=C(NC[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1)c1ccsc1Br ZINC000450289406 564225752 /nfs/dbraw/zinc/22/57/52/564225752.db2.gz VBXDEMBKGRTMCI-KBPBESRZSA-N 1 0 395.322 2.876 20 0 GFADRO Cc1nn(-c2ccc(Cl)cc2)cc1CN(C1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000507311250 564226155 /nfs/dbraw/zinc/22/61/55/564226155.db2.gz YSGLEHZKGKJOKX-GOSISDBHSA-N 1 0 379.913 2.986 20 0 GFADRO C[C@@H]1CN(C(=O)c2ccsc2Br)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000450312486 564226590 /nfs/dbraw/zinc/22/65/90/564226590.db2.gz HSPFPFQGKIONOZ-TZMCWYRMSA-N 1 0 386.359 2.609 20 0 GFADRO Brc1ccc2c(c1)ncnc2N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000450327570 564227819 /nfs/dbraw/zinc/22/78/19/564227819.db2.gz DDULNOMPMOUBRA-CQSZACIVSA-N 1 0 391.313 2.941 20 0 GFADRO Cn1ccnc1[C@@H](NC(=O)C(=O)Nc1ccc(F)cc1Br)C1CC1 ZINC000507443599 564228933 /nfs/dbraw/zinc/22/89/33/564228933.db2.gz MUSBDCCMZFNWAL-ZDUSSCGKSA-N 1 0 395.232 2.528 20 0 GFADRO Cc1ccc(Br)c(NC(=O)C(=O)N[C@@H](c2nccn2C)C2CC2)c1 ZINC000507422149 564229221 /nfs/dbraw/zinc/22/92/21/564229221.db2.gz OYCVQLDFXQZJSP-CQSZACIVSA-N 1 0 391.269 2.697 20 0 GFADRO CC[C@@H]1CN(c2ncnc3cc(Br)ccc32)C[C@H]1[NH+]1CCOCC1 ZINC000450386100 564230926 /nfs/dbraw/zinc/23/09/26/564230926.db2.gz DCYODXFSASXYCB-CXAGYDPISA-N 1 0 391.313 2.939 20 0 GFADRO O=C(NCCSCC(F)(F)F)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000539877626 564231922 /nfs/dbraw/zinc/23/19/22/564231922.db2.gz MVWJLBMNHLJJHE-UHFFFAOYSA-N 1 0 376.448 2.641 20 0 GFADRO C[C@@H]1C[N@H+](CCCNC(=O)c2cc(Br)cc(N(C)C)c2)CCCO1 ZINC000507568941 564232508 /nfs/dbraw/zinc/23/25/08/564232508.db2.gz PGBMNTBCWACFCG-CQSZACIVSA-N 1 0 398.345 2.746 20 0 GFADRO CSC1(CNS(=O)(=O)c2ccc(C(F)(F)F)cc2)CC[NH+](C)CC1 ZINC000564410358 564232650 /nfs/dbraw/zinc/23/26/50/564232650.db2.gz VQGUYJARRQKXRR-UHFFFAOYSA-N 1 0 382.473 2.811 20 0 GFADRO C[N@@H+]1CC[C@H]2CCN(C(=O)c3ccc(I)cc3F)[C@H]2C1 ZINC000450489839 564234980 /nfs/dbraw/zinc/23/49/80/564234980.db2.gz RJJQRVBBCKRMQV-HZMBPMFUSA-N 1 0 388.224 2.597 20 0 GFADRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)C(=O)Nc1ccc(Br)c(F)c1 ZINC000507624916 564235632 /nfs/dbraw/zinc/23/56/32/564235632.db2.gz MOZBMGNSBDAYEJ-AAEUAGOBSA-N 1 0 398.276 2.612 20 0 GFADRO O=C1CC[C@H](C[NH2+]C2(c3ccc(Br)cc3)CCOCC2)CCN1 ZINC000450515943 564236522 /nfs/dbraw/zinc/23/65/22/564236522.db2.gz JYCSHRHJFHFNEW-AWEZNQCLSA-N 1 0 381.314 2.961 20 0 GFADRO Cc1ccc(Br)c(NC(=O)C(=O)N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)c1 ZINC000507656046 564237762 /nfs/dbraw/zinc/23/77/62/564237762.db2.gz QGQHUGAOVLBBKU-KBPBESRZSA-N 1 0 394.313 2.781 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)C(=O)N1C[C@H]([NH+]2CCCC2)C[C@H]1C ZINC000507656182 564238077 /nfs/dbraw/zinc/23/80/77/564238077.db2.gz QOTXRWGJWTXDDS-UKRRQHHQSA-N 1 0 394.313 2.781 20 0 GFADRO CC[NH+]1CCN(CCC(=O)N[C@H](C)c2ccc(F)c(Br)c2)CC1 ZINC000507661114 564238129 /nfs/dbraw/zinc/23/81/29/564238129.db2.gz QTPLXUJXLNVXKN-CYBMUJFWSA-N 1 0 386.309 2.793 20 0 GFADRO Cc1ccc(NC(=O)C(=O)N2C[C@H]([NH+]3CCCC3)C[C@H]2C)c(Br)c1 ZINC000507666018 564238138 /nfs/dbraw/zinc/23/81/38/564238138.db2.gz GGMOOTSYMKUYDW-ZIAGYGMSSA-N 1 0 394.313 2.781 20 0 GFADRO C[NH+]1CCC(C)(CNC(=O)c2cc(I)ccc2F)CC1 ZINC000507677664 564238745 /nfs/dbraw/zinc/23/87/45/564238745.db2.gz PEIJXAVHMMOQSB-UHFFFAOYSA-N 1 0 390.240 2.892 20 0 GFADRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)C(=O)Nc1ccc(F)c(Br)c1 ZINC000507675461 564238825 /nfs/dbraw/zinc/23/88/25/564238825.db2.gz KUWSSDXVEKLCDW-YPMHNXCESA-N 1 0 398.276 2.612 20 0 GFADRO CS[C@@H]1CN(C(=O)C[C@@H]2CSc3ccccc3O2)C[C@H]1[NH+]1CCCC1 ZINC000450577604 564239771 /nfs/dbraw/zinc/23/97/71/564239771.db2.gz HECOKXOJWSAYRY-IIDMSEBBSA-N 1 0 378.563 2.968 20 0 GFADRO O=S1(=O)CCC(C[NH2+][C@@H]2CCc3c2cc(Br)cc3F)CC1 ZINC000540151600 564241018 /nfs/dbraw/zinc/24/10/18/564241018.db2.gz STQSNWVVEDADSR-OAHLLOKOSA-N 1 0 376.291 2.990 20 0 GFADRO C[NH+]1CCC(CCO)(NC(=O)c2[nH]c3ccccc3c2Br)CC1 ZINC000450682980 564243692 /nfs/dbraw/zinc/24/36/92/564243692.db2.gz PQOOFBPTUPEMNI-UHFFFAOYSA-N 1 0 380.286 2.507 20 0 GFADRO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)Nc2cccc(Br)c2)C1 ZINC000473301319 564243775 /nfs/dbraw/zinc/24/37/75/564243775.db2.gz LKDWMLKBRCNOPB-CQSZACIVSA-N 1 0 394.313 2.578 20 0 GFADRO CCCN(CC[NH+]1CCCC1)C(=O)C(=O)Nc1ccc(Br)cc1 ZINC000507807172 564244355 /nfs/dbraw/zinc/24/43/55/564244355.db2.gz TZEONZLJXSEHLQ-UHFFFAOYSA-N 1 0 382.302 2.722 20 0 GFADRO COCc1cc(Cl)cc(S(=O)(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)c1 ZINC000564690139 564245637 /nfs/dbraw/zinc/24/56/37/564245637.db2.gz UXWFXZUUWFYUQA-HNNXBMFYSA-N 1 0 386.945 2.839 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)c(C)c1C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000564728094 564247106 /nfs/dbraw/zinc/24/71/06/564247106.db2.gz BCEFBYSLESZDQQ-MEDUHNTESA-N 1 0 391.313 2.979 20 0 GFADRO COC[C@@]1(CNC(=O)CCCc2ccc(Br)s2)CCC[NH2+]1 ZINC000564839307 564251397 /nfs/dbraw/zinc/25/13/97/564251397.db2.gz BDLSWAOPYKFKLS-HNNXBMFYSA-N 1 0 375.332 2.718 20 0 GFADRO Cc1cc(N2CC[C@H](NC(=O)C3([NH3+])CCCCC3)C2=O)ccc1Br ZINC000564837847 564251614 /nfs/dbraw/zinc/25/16/14/564251614.db2.gz ZJQHXKFRAJZVAQ-HNNXBMFYSA-N 1 0 394.313 2.641 20 0 GFADRO O[C@H](C[NH2+]CCOc1ncccc1F)COc1ccc(Cl)cc1Cl ZINC000564853092 564252552 /nfs/dbraw/zinc/25/25/52/564252552.db2.gz YKOIAERYBGLBQW-GFCCVEGCSA-N 1 0 375.227 2.936 20 0 GFADRO Cc1ccc(C[N@H+]2C[C@@H](C)[C@H](C(=O)N3CCOCC3)C2)c(Br)c1 ZINC000450961304 564256994 /nfs/dbraw/zinc/25/69/94/564256994.db2.gz QQBBNRWKNQDCIX-GDBMZVCRSA-N 1 0 381.314 2.684 20 0 GFADRO CC(C)(CNC(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1)c1ccccc1Br ZINC000564934699 564258293 /nfs/dbraw/zinc/25/82/93/564258293.db2.gz ZKEFXYKSVAVTPW-GFCCVEGCSA-N 1 0 391.313 2.957 20 0 GFADRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NS(=O)(=O)c1cc(F)ccc1Br ZINC000473944134 564258807 /nfs/dbraw/zinc/25/88/07/564258807.db2.gz WEEHOMXSDGPFEQ-NWDGAFQWSA-N 1 0 393.322 2.987 20 0 GFADRO O=S(=O)(c1csc(-c2ccc(Cl)cc2)n1)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000564967068 564260399 /nfs/dbraw/zinc/26/03/99/564260399.db2.gz QVHSPZQXBKMHBL-STQMWFEESA-N 1 0 383.926 2.694 20 0 GFADRO CC[NH+](CC)[C@H](CNS(=O)(=O)CCc1scnc1C)c1ccccc1 ZINC000450991476 564261156 /nfs/dbraw/zinc/26/11/56/564261156.db2.gz MNFQZBGBVGZDFA-QGZVFWFLSA-N 1 0 381.567 2.997 20 0 GFADRO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)Nc1c(-c2ccc(Br)cc2)ncn1C ZINC000508396683 564262711 /nfs/dbraw/zinc/26/27/11/564262711.db2.gz ILRRMCHAJYAQGP-RISCZKNCSA-N 1 0 377.286 2.986 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)CNC(=O)c2sc3ccccc3c2Cl)CC[N@@H+]1C ZINC000474109028 564264810 /nfs/dbraw/zinc/26/48/10/564264810.db2.gz WTLXJPSYCBQTOY-NEPJUHHUSA-N 1 0 379.913 2.883 20 0 GFADRO COC(=O)[C@@H]1CC[C@@H]1C(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000508535249 564266257 /nfs/dbraw/zinc/26/62/57/564266257.db2.gz RQJIAPLUXCGIDU-JKSUJKDBSA-N 1 0 397.313 2.539 20 0 GFADRO COCC[NH2+]C1CCN(C(=O)Nc2cc(Br)c(F)cc2F)CC1 ZINC000565111163 564266407 /nfs/dbraw/zinc/26/64/07/564266407.db2.gz WIWOZVZHPVUKCY-UHFFFAOYSA-N 1 0 392.244 2.960 20 0 GFADRO C[C@@H]1CC[N@H+](C)CCN1C(=O)N[C@H]1COc2cc(F)c(Br)cc21 ZINC000508652230 564269338 /nfs/dbraw/zinc/26/93/38/564269338.db2.gz PRAPDFJCHVEXCL-YGRLFVJLSA-N 1 0 386.265 2.757 20 0 GFADRO CC[C@@H](Cc1ccccc1Br)NC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC000541237380 564270983 /nfs/dbraw/zinc/27/09/83/564270983.db2.gz JBEYNHHVXPSSHE-ZBFHGGJFSA-N 1 0 383.330 2.855 20 0 GFADRO Cc1nc(NC(=O)CCN(C)c2cc[nH+]cc2)ccc1I ZINC000565281718 564273722 /nfs/dbraw/zinc/27/37/22/564273722.db2.gz RRWPOCUSTJCIPE-UHFFFAOYSA-N 1 0 396.232 2.855 20 0 GFADRO C[N@@H+](CC(=O)NCC(=O)Nc1ccccc1Br)C[C@H]1CC=CCC1 ZINC000541318838 564274942 /nfs/dbraw/zinc/27/49/42/564274942.db2.gz RXRAXUZYOKOVSA-AWEZNQCLSA-N 1 0 394.313 2.792 20 0 GFADRO COC(=O)CN(C)C(=O)CC[N@@H+]1CCC[C@@H]1c1ccc(Br)s1 ZINC000541317517 564275019 /nfs/dbraw/zinc/27/50/19/564275019.db2.gz CDXOHOPHOQMFJU-LLVKDONJSA-N 1 0 389.315 2.669 20 0 GFADRO CCC[C@@H](OC)C(=O)Nc1ccc(CN2CC[NH+](C)CC2)c(Br)c1 ZINC000451113994 564277257 /nfs/dbraw/zinc/27/72/57/564277257.db2.gz CFLXSWFEEJTBNU-QGZVFWFLSA-N 1 0 398.345 2.950 20 0 GFADRO CCOCCNC(=O)C[NH+]1CCC(C)(c2cccc(Br)c2)CC1 ZINC000509050414 564279443 /nfs/dbraw/zinc/27/94/43/564279443.db2.gz WHNRATWECCGPAB-UHFFFAOYSA-N 1 0 383.330 2.955 20 0 GFADRO CN(CC[N@H+](C)C1CC1)C(=O)[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000474582166 564282460 /nfs/dbraw/zinc/28/24/60/564282460.db2.gz UJSYZKZBWVEFQB-CQSZACIVSA-N 1 0 384.307 2.899 20 0 GFADRO CC[C@@H]([NH2+][C@H](C)Cc1ccc(F)cc1Br)C(=O)N1CCOCC1 ZINC000565472523 564282986 /nfs/dbraw/zinc/28/29/86/564282986.db2.gz DJLHNAQIVGCZBI-MLGOLLRUSA-N 1 0 387.293 2.746 20 0 GFADRO CN([C@@H]1CC[N@@H+](C2CC2)C1)S(=O)(=O)Cc1ccc(Br)c(F)c1 ZINC000451189796 564284973 /nfs/dbraw/zinc/28/49/73/564284973.db2.gz PRDSQEPCWAZPSW-CYBMUJFWSA-N 1 0 391.306 2.587 20 0 GFADRO CCNC(=O)CC[N@@H+]1CC[C@H](Cc2cccc(I)c2)C1 ZINC000451189799 564285329 /nfs/dbraw/zinc/28/53/29/564285329.db2.gz KEOVTDRLKWLVBK-CQSZACIVSA-N 1 0 386.277 2.682 20 0 GFADRO COCC[C@@](C)(O)C[NH2+][C@H](C)CCc1ccc(I)cc1 ZINC000474721754 564286809 /nfs/dbraw/zinc/28/68/09/564286809.db2.gz VNWYFHAULDYGCQ-CZUORRHYSA-N 1 0 391.293 2.989 20 0 GFADRO O=C(N[C@@H]1CCC[NH2+]C1)N[C@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O ZINC000565588585 564287348 /nfs/dbraw/zinc/28/73/48/564287348.db2.gz LKQYQXPBMQBRHN-OCCSQVGLSA-N 1 0 385.295 2.540 20 0 GFADRO NC(=O)[C@H](C[NH2+]C1CCN(c2nccs2)CC1)Cc1ccccc1Cl ZINC000541765296 564287859 /nfs/dbraw/zinc/28/78/59/564287859.db2.gz ZFUGIZVZSREIQW-AWEZNQCLSA-N 1 0 378.929 2.699 20 0 GFADRO CC(C)[C@@H](Oc1ccccc1Br)C(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000565597469 564288293 /nfs/dbraw/zinc/28/82/93/564288293.db2.gz QISOVNMRCFFYMN-ZIAGYGMSSA-N 1 0 391.256 2.966 20 0 GFADRO Cc1ncsc1CCS(=O)(=O)N(CC[NH+]1CCCC1)c1ccccc1 ZINC000451230142 564289263 /nfs/dbraw/zinc/28/92/63/564289263.db2.gz NFRONJSLKUIWFW-UHFFFAOYSA-N 1 0 379.551 2.926 20 0 GFADRO COC(=O)C(C)(C)CC[NH2+]Cc1nnc(-c2ccc(Br)cc2)[nH]1 ZINC000474868962 564291953 /nfs/dbraw/zinc/29/19/53/564291953.db2.gz LPGIZAQYQZFYBC-UHFFFAOYSA-N 1 0 381.274 2.913 20 0 GFADRO CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000565705515 564292316 /nfs/dbraw/zinc/29/23/16/564292316.db2.gz PYUCUBPQCQXAFB-YVVXQTMVSA-N 1 0 396.329 2.919 20 0 GFADRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1cc(I)ccc1F ZINC000474920607 564292807 /nfs/dbraw/zinc/29/28/07/564292807.db2.gz DOFJOYTXDPDYBW-OTYXRUKQSA-N 1 0 388.224 2.643 20 0 GFADRO O=S(=O)(c1ccc(C[NH2+][C@H]2CCCC[C@H]2C2CC2)s1)N1CCOCC1 ZINC000541882397 564293556 /nfs/dbraw/zinc/29/35/56/564293556.db2.gz MVUWJSBXIIHEMZ-IRXDYDNUSA-N 1 0 384.567 2.827 20 0 GFADRO C[C@H](O)C[NH+]1CCN(Cc2ccc(OC(F)(F)F)c(Br)c2)CC1 ZINC000474933258 564293892 /nfs/dbraw/zinc/29/38/92/564293892.db2.gz NCZTZAQSTTYSOI-NSHDSACASA-N 1 0 397.235 2.846 20 0 GFADRO C[C@H](CO)[N@@H+]1CCCN(C(=O)COc2c(Cl)cc(Cl)cc2Cl)CC1 ZINC000451277793 564294650 /nfs/dbraw/zinc/29/46/50/564294650.db2.gz SPZCNSLXQOQEIT-LLVKDONJSA-N 1 0 395.714 2.941 20 0 GFADRO O=C(N[C@@H](CCO)c1ccccc1Br)NC1CC[NH+](C2CC2)CC1 ZINC000541965607 564296849 /nfs/dbraw/zinc/29/68/49/564296849.db2.gz XEGCRMXYOPWEQQ-KRWDZBQOSA-N 1 0 396.329 2.799 20 0 GFADRO CCc1ncc(C[NH2+]CCNS(=O)(=O)c2ccc(F)cc2Cl)s1 ZINC000509399664 564297019 /nfs/dbraw/zinc/29/70/19/564297019.db2.gz AWNGCOFUXFJCKE-UHFFFAOYSA-N 1 0 377.894 2.566 20 0 GFADRO COc1ccc(C)cc1C[NH2+]CCNS(=O)(=O)c1ccc(F)cc1Cl ZINC000509411550 564297265 /nfs/dbraw/zinc/29/72/65/564297265.db2.gz UZOOGVXZPLSUEF-UHFFFAOYSA-N 1 0 386.876 2.864 20 0 GFADRO Cc1c(Br)cccc1S(=O)(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000565833436 564297481 /nfs/dbraw/zinc/29/74/81/564297481.db2.gz DARSBMCVICANFI-KGLIPLIRSA-N 1 0 387.343 2.768 20 0 GFADRO CC[C@H](CCO)C[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000565833442 564297638 /nfs/dbraw/zinc/29/76/38/564297638.db2.gz DEUOYBHVNMGSKE-DGCLKSJQSA-N 1 0 380.710 2.840 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)C(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000565822094 564298032 /nfs/dbraw/zinc/29/80/32/564298032.db2.gz XIBIFVLJTYBFKD-GOSISDBHSA-N 1 0 394.313 2.552 20 0 GFADRO Fc1cc(C[NH2+]CCc2nnnn2-c2ccccc2)ccc1Br ZINC000509429065 564298425 /nfs/dbraw/zinc/29/84/25/564298425.db2.gz JGKCGHDQYUYEDM-UHFFFAOYSA-N 1 0 376.233 2.896 20 0 GFADRO C[C@H]1C[C@H](C)C[NH+](CCSc2ccc(S(=O)(=O)N3CCCC3)cn2)C1 ZINC000565842216 564298864 /nfs/dbraw/zinc/29/88/64/564298864.db2.gz DPBMFTHYPIJTEA-HOTGVXAUSA-N 1 0 383.583 2.936 20 0 GFADRO CCN(C)C(=O)[C@@H]([NH2+]CC(=O)NCCc1cccc(Cl)c1Cl)C(C)C ZINC000451311471 564298950 /nfs/dbraw/zinc/29/89/50/564298950.db2.gz IZUIMOZBUKIKOR-KRWDZBQOSA-N 1 0 388.339 2.745 20 0 GFADRO C[N@@H+](Cc1ccc(Br)cn1)C[C@@H]1C[C@H](F)CN1Cc1ncccn1 ZINC000475097620 564299313 /nfs/dbraw/zinc/29/93/13/564299313.db2.gz VSCBTVQBCVLMFE-HOCLYGCPSA-N 1 0 394.292 2.679 20 0 GFADRO CC(C)[C@@H](CCO)[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000475138388 564300238 /nfs/dbraw/zinc/30/02/38/564300238.db2.gz MBRWBRPWJRJSSK-TZMCWYRMSA-N 1 0 380.710 2.839 20 0 GFADRO CC[C@H](C)[N@H+](C)CCNS(=O)(=O)c1c(Cl)cc(Cl)cc1C(=O)OC ZINC000509490607 564302211 /nfs/dbraw/zinc/30/22/11/564302211.db2.gz ZYIQHSHENRLADT-JTQLQIEISA-N 1 0 397.324 2.789 20 0 GFADRO COC[C@]1(C(=O)OC)CC[N@H+](CCCC(=O)c2ccc(Br)cc2)C1 ZINC000451341901 564302796 /nfs/dbraw/zinc/30/27/96/564302796.db2.gz MWAUJBGKPVDFOI-SFHVURJKSA-N 1 0 398.297 2.924 20 0 GFADRO COc1cc(C[NH2+]CCCCn2cc(Br)cn2)cc2c1OCCO2 ZINC000475198588 564303146 /nfs/dbraw/zinc/30/31/46/564303146.db2.gz QECICMMDXYAKOQ-UHFFFAOYSA-N 1 0 396.285 2.995 20 0 GFADRO C[C@@H]([NH2+]CCCOc1ccc(C(F)(F)F)cn1)C1CCS(=O)(=O)CC1 ZINC000475216524 564303240 /nfs/dbraw/zinc/30/32/40/564303240.db2.gz OUHCLVABEKHXMH-GFCCVEGCSA-N 1 0 380.432 2.672 20 0 GFADRO O=C(N[C@@H]1C[NH2+]CCC1(F)F)c1ccn(-c2ccc(Cl)c(Cl)c2)n1 ZINC000565950442 564303295 /nfs/dbraw/zinc/30/32/95/564303295.db2.gz DQVKBTPNMQYCLN-CYBMUJFWSA-N 1 0 375.206 2.906 20 0 GFADRO Cc1ccc(Cl)c(OC[C@H](O)C[NH2+]C2CCC(CS(C)(=O)=O)CC2)c1 ZINC000565946174 564303649 /nfs/dbraw/zinc/30/36/49/564303649.db2.gz IPHAJGSYIBJIQB-UYSNPLJNSA-N 1 0 389.945 2.581 20 0 GFADRO COc1cc(Br)ccc1CCC[NH+]1CCN(c2nccn2C)CC1 ZINC000542203525 564303799 /nfs/dbraw/zinc/30/37/99/564303799.db2.gz DGFIRXDSUKIKRY-UHFFFAOYSA-N 1 0 393.329 2.946 20 0 GFADRO O=C(C1CC[NH+]([C@@H]2CCSC2)CC1)N1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000566018717 564306731 /nfs/dbraw/zinc/30/67/31/564306731.db2.gz MLMCENRVCZLJBI-ZBFHGGJFSA-N 1 0 380.476 2.510 20 0 GFADRO COC(=O)[C@@H]1CC[N@H+](C[C@@H](O)COc2cc(Cl)ccc2Cl)C[C@@H]1C ZINC000475386669 564307098 /nfs/dbraw/zinc/30/70/98/564307098.db2.gz FGKRYYQNTJWYHT-IACUBPJLSA-N 1 0 376.280 2.864 20 0 GFADRO O=C(CNC(=O)c1sc2ccccc2c1Cl)N1CCC2(CC[NH2+]2)CC1 ZINC000566093029 564308619 /nfs/dbraw/zinc/30/86/19/564308619.db2.gz DKNIETFGIYQGPW-UHFFFAOYSA-N 1 0 377.897 2.639 20 0 GFADRO O=S1(=O)CCCC[C@H]1C[NH2+]CC1=Cc2cc(Br)ccc2OC1 ZINC000542309741 564309490 /nfs/dbraw/zinc/30/94/90/564309490.db2.gz FAWJDAMEKGIJED-HNNXBMFYSA-N 1 0 386.311 2.782 20 0 GFADRO COc1cc(C[NH2+][C@]2(C)CCO[C@H]2C)cc(I)c1OC ZINC000542313898 564309617 /nfs/dbraw/zinc/30/96/17/564309617.db2.gz IHWIEJFVZNRKPW-ZUZCIYMTSA-N 1 0 391.249 2.966 20 0 GFADRO Cc1csc(C(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)c1I ZINC000566099381 564309833 /nfs/dbraw/zinc/30/98/33/564309833.db2.gz AQAOPXNVBHOYIO-SNVBAGLBSA-N 1 0 376.263 2.628 20 0 GFADRO OCC[N@H+](Cc1cc(Br)c2c(c1)OCCO2)[C@@H]1CCCSC1 ZINC000475494273 564310417 /nfs/dbraw/zinc/31/04/17/564310417.db2.gz PWBPAWBLALKKLO-CYBMUJFWSA-N 1 0 388.327 2.910 20 0 GFADRO O[C@H](C[NH2+][C@@H]1CCC[C@@H]2OCC[C@@H]21)COc1cc(F)cc(Br)c1 ZINC000566114461 564310491 /nfs/dbraw/zinc/31/04/91/564310491.db2.gz IDRMBZKPVNECFL-DZUCGIPZSA-N 1 0 388.277 2.875 20 0 GFADRO CC(C)CS(=O)(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000509759842 564311914 /nfs/dbraw/zinc/31/19/14/564311914.db2.gz DNVOFRVSRBXSCE-UHFFFAOYSA-N 1 0 377.348 2.799 20 0 GFADRO Ic1ccc(CN2CCC[C@@H]2C[NH2+][C@H]2CCOC2)cc1 ZINC000475635452 564314124 /nfs/dbraw/zinc/31/41/24/564314124.db2.gz PUEASNZKZDRVFB-JKSUJKDBSA-N 1 0 386.277 2.634 20 0 GFADRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2S(=O)(=O)c2cccc(Br)c2F)C1 ZINC000542467679 564314617 /nfs/dbraw/zinc/31/46/17/564314617.db2.gz PTUUVUFSJZANJF-AAEUAGOBSA-N 1 0 391.306 2.693 20 0 GFADRO C[C@@H](C[NH+]1CCCCC1)NS(=O)(=O)c1cccc(Br)c1F ZINC000542485011 564315529 /nfs/dbraw/zinc/31/55/29/564315529.db2.gz DYVTWCUEMNURGR-NSHDSACASA-N 1 0 379.295 2.741 20 0 GFADRO CC[C@H]1[NH2+]CC[C@@H]1C(=O)NCc1nc(-c2cccc(Br)c2)no1 ZINC000566194641 564315936 /nfs/dbraw/zinc/31/59/36/564315936.db2.gz DLHUKHWMZGGMDD-QWHCGFSZSA-N 1 0 379.258 2.503 20 0 GFADRO Cc1ccsc1[C@H](Cc1ccccc1)[NH2+]CC1(O)CCS(=O)(=O)CC1 ZINC000542527810 564317493 /nfs/dbraw/zinc/31/74/93/564317493.db2.gz YKLSFSJSJUAKRY-KRWDZBQOSA-N 1 0 379.547 2.870 20 0 GFADRO C[NH+]1CCN(Cc2ccc(NC(=O)[C@H]3CCSC3)cc2Br)CC1 ZINC000475753827 564318216 /nfs/dbraw/zinc/31/82/16/564318216.db2.gz SZJILXQWZFWBFN-AWEZNQCLSA-N 1 0 398.370 2.888 20 0 GFADRO Cc1ccc(S(=O)(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1Br ZINC000566224421 564318362 /nfs/dbraw/zinc/31/83/62/564318362.db2.gz ZTMYZQWKJZNOBR-KBPBESRZSA-N 1 0 387.343 2.768 20 0 GFADRO Cc1ccc(C[C@H](CO)[NH2+]C[C@H](O)COc2cccc(Br)c2)cc1 ZINC000566232089 564318371 /nfs/dbraw/zinc/31/83/71/564318371.db2.gz YNHMLPAGWZNFFX-MSOLQXFVSA-N 1 0 394.309 2.690 20 0 GFADRO CO[C@H](C(=O)Nc1ccc(CN2CC[NH+](C)CC2)c(Br)c1)C(C)C ZINC000475754323 564318540 /nfs/dbraw/zinc/31/85/40/564318540.db2.gz URNODQWRETVOPR-KRWDZBQOSA-N 1 0 398.345 2.806 20 0 GFADRO CC[C@H]1[NH2+]CC[C@@H]1C(=O)Nc1cc(F)c(I)c(F)c1 ZINC000566248387 564318873 /nfs/dbraw/zinc/31/88/73/564318873.db2.gz BVZXDQYKDUHKLS-GZMMTYOYSA-N 1 0 380.176 2.896 20 0 GFADRO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)NCC1(c2ccc(Cl)cc2Cl)CCC1 ZINC000566236411 564318896 /nfs/dbraw/zinc/31/88/96/564318896.db2.gz DHOFIJYKIOQRAN-NWDGAFQWSA-N 1 0 386.323 2.773 20 0 GFADRO COc1cc(C(F)(F)F)cc(S(=O)(=O)N(C)CCC[NH+]2CCCC2)c1 ZINC000451497188 564319061 /nfs/dbraw/zinc/31/90/61/564319061.db2.gz VUIMDJREJRONGD-UHFFFAOYSA-N 1 0 380.432 2.820 20 0 GFADRO CN(Cc1ccccc1Br)C(=O)C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000451499150 564319874 /nfs/dbraw/zinc/31/98/74/564319874.db2.gz MHHBSGGGOKRZMO-ZTFGCOKTSA-N 1 0 393.325 2.955 20 0 GFADRO COC[C@H]1CCN(C(=O)N(CC[NH+](C)C)Cc2ccc(Br)cc2)C1 ZINC000510005189 564322051 /nfs/dbraw/zinc/32/20/51/564322051.db2.gz LZVWPASLLILKDU-INIZCTEOSA-N 1 0 398.345 2.901 20 0 GFADRO COC(=O)C[C@@H]1CSCC[N@@H+]1C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000475880549 564323987 /nfs/dbraw/zinc/32/39/87/564323987.db2.gz LOHCFGGVZIRXSK-VXGBXAGGSA-N 1 0 394.320 2.714 20 0 GFADRO C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N[C@@H](C)C1=CC[N@H+](C)CC1 ZINC000542826070 564327708 /nfs/dbraw/zinc/32/77/08/564327708.db2.gz KTNKNUICEVPYEU-NWDGAFQWSA-N 1 0 384.307 2.878 20 0 GFADRO C[C@H]1CCN(C(=O)Nc2ccc(I)cc2F)C[C@@H]1C[NH3+] ZINC000566504768 564330364 /nfs/dbraw/zinc/33/03/64/564330364.db2.gz ONUSQQVOLRHJMB-UWVGGRQHSA-N 1 0 391.228 2.879 20 0 GFADRO CC[NH+](CC)C[C@H](C)NC(=O)N[C@H](CCO)c1ccccc1Br ZINC000542895966 564330490 /nfs/dbraw/zinc/33/04/90/564330490.db2.gz POSQYKSZWGJYQS-XJKSGUPXSA-N 1 0 386.334 2.902 20 0 GFADRO O=C(C[NH2+][C@H]([C@@H](CO)C1CC1)C1CC1)Nc1ccc(Br)cc1F ZINC000451618025 564332268 /nfs/dbraw/zinc/33/22/68/564332268.db2.gz YWDSYJZJGGQHME-GUYCJALGSA-N 1 0 385.277 2.913 20 0 GFADRO [NH3+]CCCCNC(=O)c1cccn1-c1ccc(I)cc1 ZINC000510437713 564332998 /nfs/dbraw/zinc/33/29/98/564332998.db2.gz HMOGNOQGUBOLRC-UHFFFAOYSA-N 1 0 383.233 2.551 20 0 GFADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)c2c(C)cccc2Br)CC1 ZINC000566652279 564335968 /nfs/dbraw/zinc/33/59/68/564335968.db2.gz MKARBBSUYSEOBA-AWEZNQCLSA-N 1 0 382.346 2.761 20 0 GFADRO O=C(Cc1cccc(Cl)c1Cl)NCC1(N2CCOCC2)CCOCC1 ZINC000566663414 564337462 /nfs/dbraw/zinc/33/74/62/564337462.db2.gz QGSYNYNWPBYQRS-UHFFFAOYSA-N 1 0 387.307 2.534 20 0 GFADRO C[C@@H](Cc1ccsc1)[NH+]1CCC(N(CC(F)(F)F)S(C)(=O)=O)CC1 ZINC000543079850 564337543 /nfs/dbraw/zinc/33/75/43/564337543.db2.gz QYVUKVLHKPLXIX-LBPRGKRZSA-N 1 0 384.489 2.967 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)CCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000451687582 564339929 /nfs/dbraw/zinc/33/99/29/564339929.db2.gz CUNGRPPPDZPRSJ-CQSZACIVSA-N 1 0 382.302 2.734 20 0 GFADRO COC(=O)c1cc(NC(=O)NC[C@H]2CCC[N@@H+]2C)cc(Br)c1F ZINC000566716051 564339983 /nfs/dbraw/zinc/33/99/83/564339983.db2.gz FKJVQYFDKPWCPP-SNVBAGLBSA-N 1 0 388.237 2.591 20 0 GFADRO O[C@H](C[NH2+]C1(c2ccccc2Br)CCCCC1)CN1CCOCC1 ZINC000451691338 564340093 /nfs/dbraw/zinc/34/00/93/564340093.db2.gz QMSFWXWESJAJEO-MRXNPFEDSA-N 1 0 397.357 2.891 20 0 GFADRO NC(=O)[C@@H](Cc1ccc(F)cc1)[NH2+]CCOc1ccc(Br)cc1 ZINC000543161600 564340735 /nfs/dbraw/zinc/34/07/35/564340735.db2.gz NOOXOKCKWXTHBJ-MRXNPFEDSA-N 1 0 381.245 2.653 20 0 GFADRO Cc1c(C(=O)N[C@@H](CC[NH3+])C(F)F)cnn1-c1ccc(Br)cc1 ZINC000566738485 564341084 /nfs/dbraw/zinc/34/10/84/564341084.db2.gz VTKFOVSGXNSHTG-ZDUSSCGKSA-N 1 0 387.228 2.656 20 0 GFADRO C[NH+]1CCC(NC(=O)NCCc2c[nH]c3ccc(Br)cc23)CC1 ZINC000543200041 564342888 /nfs/dbraw/zinc/34/28/88/564342888.db2.gz YGMNCHVUSHPRGM-UHFFFAOYSA-N 1 0 379.302 2.866 20 0 GFADRO O[C@H](COc1cccc(Br)c1)C[N@@H+]1CC[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC000451716348 564342941 /nfs/dbraw/zinc/34/29/41/564342941.db2.gz UTPNEPGSPXXFIP-SRABZTEZSA-N 1 0 384.314 2.672 20 0 GFADRO CC[NH+](CC)CCNC(=O)N[C@H]1CCN(c2ccccc2Br)C1 ZINC000476559551 564345182 /nfs/dbraw/zinc/34/51/82/564345182.db2.gz CLJKBZDCBHCSLN-AWEZNQCLSA-N 1 0 383.334 2.669 20 0 GFADRO CC[C@@H]1C[N@H+](CC)CCN1C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000451734527 564345438 /nfs/dbraw/zinc/34/54/38/564345438.db2.gz BWRVIUHNUZTNIR-CVEARBPZSA-N 1 0 389.309 2.744 20 0 GFADRO CC(C)[C@@](C)([NH2+]CCS(=O)(=O)N(C)C)c1ccc(Br)cc1 ZINC000510797610 564348009 /nfs/dbraw/zinc/34/80/09/564348009.db2.gz PJJFTLSXURDMAB-OAHLLOKOSA-N 1 0 377.348 2.801 20 0 GFADRO C[C@@H](O)C[N@@H+]1CCN(C(=O)NCC(F)(F)c2ccc(Cl)cc2)[C@H](C)C1 ZINC000510892085 564349976 /nfs/dbraw/zinc/34/99/76/564349976.db2.gz FQAHCEQAAVCHQW-CHWSQXEVSA-N 1 0 375.847 2.528 20 0 GFADRO NS(=O)(=O)[C@H]1CCC[N@H+](CCCCOc2cccc(C(F)(F)F)c2)C1 ZINC000543439614 564350677 /nfs/dbraw/zinc/35/06/77/564350677.db2.gz OSDBSTHUFRCHIH-HNNXBMFYSA-N 1 0 380.432 2.617 20 0 GFADRO CS(=O)(=O)c1cccc(Cl)c1C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000476767771 564352806 /nfs/dbraw/zinc/35/28/06/564352806.db2.gz SGXMYFLGKLRDTP-UHFFFAOYSA-N 1 0 384.929 2.834 20 0 GFADRO COCC[C@H]1CCC[C@@H]1[NH2+]CCNS(=O)(=O)c1ccc(F)cc1Cl ZINC000511013227 564353882 /nfs/dbraw/zinc/35/38/82/564353882.db2.gz HYIWXJWFKIJVSZ-DOMZBBRYSA-N 1 0 378.897 2.552 20 0 GFADRO CCCC[N@H+](C)C[C@@H](C)NC(=O)C(=O)Nc1ccc(Br)cc1F ZINC000567035822 564354796 /nfs/dbraw/zinc/35/47/96/564354796.db2.gz UQCRGPLWFXHHJF-LLVKDONJSA-N 1 0 388.281 2.763 20 0 GFADRO C[C@H](CNC(=O)c1c[nH]c2ccc(Br)cc12)C[NH+]1CCN(C)CC1 ZINC000511047674 564355204 /nfs/dbraw/zinc/35/52/04/564355204.db2.gz PJUCAJKPNSBFRS-CYBMUJFWSA-N 1 0 393.329 2.544 20 0 GFADRO C[C@H](C[NH+]1CCOCC1)C(=O)N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1 ZINC000476854658 564355446 /nfs/dbraw/zinc/35/54/46/564355446.db2.gz KCIFTGOXHYCSQC-HIFRSBDPSA-N 1 0 386.323 2.657 20 0 GFADRO C[C@@H](O)C[N@@H+]1CCN(C(=O)CCOc2cccc(Cl)c2Cl)[C@H](C)C1 ZINC000476846673 564355504 /nfs/dbraw/zinc/35/55/04/564355504.db2.gz KZGOICGCFYFKJU-CHWSQXEVSA-N 1 0 375.296 2.676 20 0 GFADRO C[C@H]([NH2+][C@@H]1COCC1(C)C)C(=O)Nc1cccc(I)c1 ZINC000451822899 564355976 /nfs/dbraw/zinc/35/59/76/564355976.db2.gz JAUDURZBOSDHRZ-GXFFZTMASA-N 1 0 388.249 2.633 20 0 GFADRO COC(=O)c1coc(C[NH2+]CCCNC(=O)c2cccc(Br)c2)c1 ZINC000543630936 564356340 /nfs/dbraw/zinc/35/63/40/564356340.db2.gz CUAOAPPMFOWMFH-UHFFFAOYSA-N 1 0 395.253 2.738 20 0 GFADRO CCCOc1c(Br)cc(C[NH2+][C@]2(CO)CCOC2)cc1OCC ZINC000543618419 564356451 /nfs/dbraw/zinc/35/64/51/564356451.db2.gz FSYAOUUQMAGVIS-KRWDZBQOSA-N 1 0 388.302 2.878 20 0 GFADRO NC(=O)[C@H](Cc1ccccc1)[NH2+][C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000543658967 564358329 /nfs/dbraw/zinc/35/83/29/564358329.db2.gz PQCZYRHURQTYTG-WMZOPIPTSA-N 1 0 388.309 2.714 20 0 GFADRO C[C@H]1CN(CC(F)(F)F)CC[N@H+](C[C@H](O)COc2ccccc2Cl)C1 ZINC000451869952 564361562 /nfs/dbraw/zinc/36/15/62/564361562.db2.gz HCPOLJGJCGVLAI-KGLIPLIRSA-N 1 0 380.838 2.896 20 0 GFADRO C[C@@H]1CCC[N@H+](CCNC(=O)N[C@H](CCO)c2ccccc2Br)C1 ZINC000543820299 564364742 /nfs/dbraw/zinc/36/47/42/564364742.db2.gz XDMLPCRSXZKQRV-RHSMWYFYSA-N 1 0 398.345 2.904 20 0 GFADRO CS[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2F)C[C@H]1[NH+]1CCCC1 ZINC000477126514 564365268 /nfs/dbraw/zinc/36/52/68/564365268.db2.gz KQCLENDWASFYFS-ZIAGYGMSSA-N 1 0 378.922 2.679 20 0 GFADRO CO[C@H]1C[NH2+][C@@H](C(=O)Nc2nc(-c3ccc(Br)cc3)cs2)C1 ZINC000567322353 564366301 /nfs/dbraw/zinc/36/63/01/564366301.db2.gz JGEUXCAOVWWXMR-VXGBXAGGSA-N 1 0 382.283 2.888 20 0 GFADRO C[C@@H](c1ccccc1Br)N1CC[NH+]([C@H]2CCNC(=O)CC2)CC1 ZINC000451919072 564366758 /nfs/dbraw/zinc/36/67/58/564366758.db2.gz RMBNJPYWBQTEQG-LSDHHAIUSA-N 1 0 380.330 2.796 20 0 GFADRO O=C(CC[N@@H+]1CCO[C@@]2(CCSC2)C1)Nc1cccc(Br)c1 ZINC000567349525 564367703 /nfs/dbraw/zinc/36/77/03/564367703.db2.gz SBPNNDVZQNEGTB-INIZCTEOSA-N 1 0 385.327 2.986 20 0 GFADRO CCC[NH2+][C@H](C)C(=O)Nc1nc(-c2ccc(NS(C)(=O)=O)cc2)cs1 ZINC000567347765 564367847 /nfs/dbraw/zinc/36/78/47/564367847.db2.gz HZFLUFOZBYCQAM-LLVKDONJSA-N 1 0 382.511 2.508 20 0 GFADRO C[C@@H]1C[N@H+](C)CCN1c1ccc(Br)cc1NC(=O)c1cn(C)cn1 ZINC000567344063 564367871 /nfs/dbraw/zinc/36/78/71/564367871.db2.gz ADAUDKLFBCLSOY-GFCCVEGCSA-N 1 0 392.301 2.575 20 0 GFADRO [NH3+][C@H]1CCC[C@@H](CNC(=O)c2ccc(I)c(F)c2)C1 ZINC000567377188 564368923 /nfs/dbraw/zinc/36/89/23/564368923.db2.gz ZVNYYTXBRMVAHJ-KOLCDFICSA-N 1 0 376.213 2.678 20 0 GFADRO C[C@@H]1CC[N@H+](C)CCN1C(=O)NCc1cc(F)c(F)cc1Br ZINC000511358246 564369234 /nfs/dbraw/zinc/36/92/34/564369234.db2.gz GDBXNCLTLNLEGV-SNVBAGLBSA-N 1 0 376.245 2.963 20 0 GFADRO CN(C(=O)c1ccc(F)c(I)c1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000477230574 564369809 /nfs/dbraw/zinc/36/98/09/564369809.db2.gz VYKBEAJATXVVBL-GFCCVEGCSA-N 1 0 388.224 2.739 20 0 GFADRO CC(C)[NH+]1CCN(C(=O)NCc2cc(F)c(F)cc2Br)CC1 ZINC000511402763 564371429 /nfs/dbraw/zinc/37/14/29/564371429.db2.gz XCORRJKYBBIBQJ-UHFFFAOYSA-N 1 0 376.245 2.963 20 0 GFADRO O=S(=O)(c1cc(F)ccc1OC(F)F)N1CCC2(CC[NH2+]CC2)CC1 ZINC000567470929 564372524 /nfs/dbraw/zinc/37/25/24/564372524.db2.gz WOAVEYCGPQZMPX-UHFFFAOYSA-N 1 0 378.416 2.581 20 0 GFADRO [NH3+][C@H]1C[C@@H](N[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)c2ccccc21 ZINC000567490106 564373872 /nfs/dbraw/zinc/37/38/72/564373872.db2.gz QPTYSFPBMILHGW-XOKHGSTOSA-N 1 0 377.535 2.636 20 0 GFADRO Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+]Cc2ccc(C[S@@](C)=O)cc2)cc1 ZINC000567532343 564375294 /nfs/dbraw/zinc/37/52/94/564375294.db2.gz USBKPAGEGJRVCF-UPCLLVRISA-N 1 0 379.547 2.826 20 0 GFADRO CC(C)(O)C[N@H+](Cc1cn2ccc(Br)cc2n1)C1CCOCC1 ZINC000567529715 564375919 /nfs/dbraw/zinc/37/59/19/564375919.db2.gz FCBZKLOTJVWFMI-UHFFFAOYSA-N 1 0 382.302 2.849 20 0 GFADRO COCC[N@H+](C)CCNC(=O)N1CCC[C@H]1c1ccc(Br)s1 ZINC000544120997 564376009 /nfs/dbraw/zinc/37/60/09/564376009.db2.gz WHMIGURGNWSXSH-LBPRGKRZSA-N 1 0 390.347 2.935 20 0 GFADRO Cc1cc(C)c(C[NH2+]C[C@H](O)COc2ccc(Br)cc2)c(=O)[nH]1 ZINC000567533104 564375992 /nfs/dbraw/zinc/37/59/92/564375992.db2.gz SVKRFVPMWTYLNC-AWEZNQCLSA-N 1 0 381.270 2.696 20 0 GFADRO C[NH+](C)CCN(Cc1ccco1)C(=O)Cc1ccc(Br)cc1O ZINC000477404428 564376254 /nfs/dbraw/zinc/37/62/54/564376254.db2.gz VCAPASVHPWPEBV-UHFFFAOYSA-N 1 0 381.270 2.881 20 0 GFADRO Cn1nnc2cc(C[NH2+][C@@](C)(CO)c3ccc(Br)cc3)ccc21 ZINC000511574972 564376636 /nfs/dbraw/zinc/37/66/36/564376636.db2.gz LWNRQBGATJDDIF-KRWDZBQOSA-N 1 0 375.270 2.728 20 0 GFADRO COc1cc(Br)ccc1CCC[NH+]1CCN(Cc2ncc[nH]2)CC1 ZINC000544143188 564376806 /nfs/dbraw/zinc/37/68/06/564376806.db2.gz UQTHWKDLFQUTSR-UHFFFAOYSA-N 1 0 393.329 2.931 20 0 GFADRO C[NH+](C)Cc1ccc(S(=O)(=O)NCc2ccccc2Br)cc1 ZINC000477494485 564378531 /nfs/dbraw/zinc/37/85/31/564378531.db2.gz RBLSXHDFAPJUKJ-UHFFFAOYSA-N 1 0 383.311 2.989 20 0 GFADRO C[NH+](C)CCOCCNC(=O)c1cc(Br)cc(C(F)(F)F)c1 ZINC000544341899 564382962 /nfs/dbraw/zinc/38/29/62/564382962.db2.gz IOCBDMCAVSMZGY-UHFFFAOYSA-N 1 0 383.208 2.776 20 0 GFADRO O=S(=O)(CC[NH2+][C@@H]1CCO[C@@H](C2CC2)C1)c1cccc(Br)c1 ZINC000567710115 564384216 /nfs/dbraw/zinc/38/42/16/564384216.db2.gz GCFKVLVVBOYTET-GDBMZVCRSA-N 1 0 388.327 2.770 20 0 GFADRO C[N@@H+]1CCC[C@H]1CNC(=O)[C@H](c1cc(Cl)cc(Cl)c1)N1CCOCC1 ZINC000511838119 564384244 /nfs/dbraw/zinc/38/42/44/564384244.db2.gz LNDKDCVELBNPGQ-IRXDYDNUSA-N 1 0 386.323 2.577 20 0 GFADRO C[N@H+](CC(=O)NCc1ccc(Cl)cc1)C1CCN(CC(F)(F)F)CC1 ZINC000452035128 564384418 /nfs/dbraw/zinc/38/44/18/564384418.db2.gz WGYRARBVKWFTOI-UHFFFAOYSA-N 1 0 377.838 2.915 20 0 GFADRO CCCCN(C(=O)C[NH2+][C@@H](c1cccs1)C1CC1)[C@H]1CCS(=O)(=O)C1 ZINC000544400787 564384643 /nfs/dbraw/zinc/38/46/43/564384643.db2.gz VZFPMLRJLWCBNJ-MAUKXSAKSA-N 1 0 384.567 2.605 20 0 GFADRO C[C@H]([NH2+]CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl)[C@H]1CCC[C@@H](C)C1 ZINC000452059790 564387925 /nfs/dbraw/zinc/38/79/25/564387925.db2.gz KXMXXQQCPOGEJM-AGIUHOORSA-N 1 0 387.933 2.730 20 0 GFADRO O=S(=O)(c1nc2ccccc2s1)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000567783048 564388387 /nfs/dbraw/zinc/38/83/87/564388387.db2.gz KQUADQUKOGPKAJ-BBRMVZONSA-N 1 0 377.535 2.934 20 0 GFADRO Ic1cnc(C[NH2+]CCc2c[nH]c3ncccc23)s1 ZINC000512050427 564390649 /nfs/dbraw/zinc/39/06/49/564390649.db2.gz CILUESKXHHRSQY-UHFFFAOYSA-N 1 0 384.246 2.956 20 0 GFADRO O=C(C1CCC1)N1CCN(CC[NH2+]Cc2cscc2Br)CC1 ZINC000512053002 564390806 /nfs/dbraw/zinc/39/08/06/564390806.db2.gz OCXMODNWXGKHSG-UHFFFAOYSA-N 1 0 386.359 2.545 20 0 GFADRO O[C@H](C[NH2+]C[C@H]1CCC[C@@H](O)C1)COc1ccc(Cl)cc1Br ZINC000567876326 564393543 /nfs/dbraw/zinc/39/35/43/564393543.db2.gz QUFNTEUUTHGDRN-IACUBPJLSA-N 1 0 392.721 2.983 20 0 GFADRO C[C@H]1CSC[C@H]1[NH2+]CC(=O)N(C)CCOc1ccc(Br)cc1 ZINC000512162875 564393650 /nfs/dbraw/zinc/39/36/50/564393650.db2.gz DMHHEZVYYHXSHW-SWLSCSKDSA-N 1 0 387.343 2.627 20 0 GFADRO C[C@@H]1CN(C(=O)NCCOc2ccc3cc(Br)ccc3c2)C[C@@H]1[NH3+] ZINC000567871267 564394012 /nfs/dbraw/zinc/39/40/12/564394012.db2.gz FTJODFFBOAFZMY-PXAZEXFGSA-N 1 0 392.297 2.970 20 0 GFADRO CC1(C)C[N@H+](C[C@H](O)COc2cc(F)cc(Br)c2)[C@@H]2COC[C@@H]21 ZINC000452117227 564394738 /nfs/dbraw/zinc/39/47/38/564394738.db2.gz NFJRHFNIDYRNDQ-CWRNSKLLSA-N 1 0 388.277 2.685 20 0 GFADRO C[NH+](C)CCOc1cc(NC(=O)Cc2ccc(Br)cc2)ccn1 ZINC000478088782 564395138 /nfs/dbraw/zinc/39/51/38/564395138.db2.gz UIXDGHHETLZBRV-UHFFFAOYSA-N 1 0 378.270 2.966 20 0 GFADRO CC1(C)C[N@H+](C[C@@H](O)COc2cc(F)cc(Br)c2)[C@@H]2COC[C@@H]21 ZINC000452117230 564395141 /nfs/dbraw/zinc/39/51/41/564395141.db2.gz NFJRHFNIDYRNDQ-VNQPRFMTSA-N 1 0 388.277 2.685 20 0 GFADRO CCCC[N@H+](C)C[C@H](C)NC(=O)c1cccnc1-n1cc(Br)cn1 ZINC000452141375 564395732 /nfs/dbraw/zinc/39/57/32/564395732.db2.gz UNYYJHMZNXVZCS-ZDUSSCGKSA-N 1 0 394.317 2.880 20 0 GFADRO CCC[C@@]1([NH2+]CC(=O)N(C)CCOc2ccc(Br)cc2)CCOC1 ZINC000512292645 564397081 /nfs/dbraw/zinc/39/70/81/564397081.db2.gz IKPTVEFVYZSZRW-GOSISDBHSA-N 1 0 399.329 2.835 20 0 GFADRO C[C@@H]1CN(C(=O)c2cc(Br)c3c(c2)OCCO3)CC[N@@H+](C2CC2)C1 ZINC000452168550 564397662 /nfs/dbraw/zinc/39/76/62/564397662.db2.gz FFRWAHAKLWEYCP-LBPRGKRZSA-N 1 0 395.297 2.777 20 0 GFADRO C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]C[C@H]1CCCCS1(=O)=O ZINC000567962731 564398065 /nfs/dbraw/zinc/39/80/65/564398065.db2.gz XUJYFBPPDQJXMU-RHSMWYFYSA-N 1 0 386.945 2.634 20 0 GFADRO C[C@H]1CN(C(=O)Cc2cccc(I)c2)CC[N@@H+](C2CC2)C1 ZINC000452170800 564398368 /nfs/dbraw/zinc/39/83/68/564398368.db2.gz JCWWPSDDOCTRKE-CYBMUJFWSA-N 1 0 398.288 2.776 20 0 GFADRO CN1C(=O)C[C@H](C(=O)NCC(C)(C)[NH+](C)C)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000478263065 564398496 /nfs/dbraw/zinc/39/84/96/564398496.db2.gz RXOKAXNNFWRDSA-BLLLJJGKSA-N 1 0 386.323 2.969 20 0 GFADRO O=C(Cn1cc(Br)cn1)NCc1ccccc1C[NH+]1CCCCC1 ZINC000512371335 564399811 /nfs/dbraw/zinc/39/98/11/564399811.db2.gz GYEZVMRZPNYMPS-UHFFFAOYSA-N 1 0 391.313 2.948 20 0 GFADRO CC(=O)NCCN(Cc1ccc(Cl)cc1Cl)C(=O)N[C@@H](C)C[NH+](C)C ZINC000512422622 564401352 /nfs/dbraw/zinc/40/13/52/564401352.db2.gz WPWWFHSPXGGEML-LBPRGKRZSA-N 1 0 389.327 2.591 20 0 GFADRO COc1c[nH+]ccc1N1CCN(C(=O)c2sccc2Br)CC1 ZINC000478462379 564403068 /nfs/dbraw/zinc/40/30/68/564403068.db2.gz MQXGHUIRXWGHCU-UHFFFAOYSA-N 1 0 382.283 2.877 20 0 GFADRO N[C@](C(=O)N1CCC[C@]2(CC[NH2+]C2)C1)(c1cccc(Cl)c1)C(F)(F)F ZINC000568084885 564404484 /nfs/dbraw/zinc/40/44/84/564404484.db2.gz WBIBSEKSVWEJCF-CVEARBPZSA-N 1 0 375.822 2.658 20 0 GFADRO COCC[N@@H+]1CCCN(C(=O)CSc2cccc(C(F)(F)F)c2)CC1 ZINC000478512650 564405654 /nfs/dbraw/zinc/40/56/54/564405654.db2.gz OIVJUBCKQUAHGH-UHFFFAOYSA-N 1 0 376.444 2.978 20 0 GFADRO O=S(=O)(c1cccs1)N1CC[C@@H](C[NH2+][C@H]2CCc3ccccc3C2)C1 ZINC000512579573 564406196 /nfs/dbraw/zinc/40/61/96/564406196.db2.gz WANGTXAGFGSNBU-YJBOKZPZSA-N 1 0 376.547 2.906 20 0 GFADRO O=C(NC[C@@H]1CCC[N@H+]1CCCO)c1cc(Cl)cc(Br)c1 ZINC000452348453 564406731 /nfs/dbraw/zinc/40/67/31/564406731.db2.gz AIHFUZISKBQQFI-AWEZNQCLSA-N 1 0 375.694 2.679 20 0 GFADRO C[C@@H](Oc1ccc(Cl)c(Cl)c1)C(=O)NC[C@H]1CCC[N@@H+]1CCCO ZINC000452350495 564407782 /nfs/dbraw/zinc/40/77/82/564407782.db2.gz OMPXBYLGXMIZHN-CHWSQXEVSA-N 1 0 375.296 2.724 20 0 GFADRO CC[NH+](CC)CC[C@@H](CO)NC(=O)c1cc2c(Br)cccc2cn1 ZINC000568216018 564408947 /nfs/dbraw/zinc/40/89/47/564408947.db2.gz JCMIVXQAHZGHCL-AWEZNQCLSA-N 1 0 394.313 2.820 20 0 GFADRO C[NH+]1CCN(c2cccc(-c3noc(-c4coc(Br)c4)n3)n2)CC1 ZINC000545129525 564409094 /nfs/dbraw/zinc/40/90/94/564409094.db2.gz OQTQCLUCCZQKJY-UHFFFAOYSA-N 1 0 390.241 2.906 20 0 GFADRO CC(C)Oc1cc(Br)cc(C(=O)NC[C@H]2CCC[N@@H+]2CCCO)c1 ZINC000452376184 564409853 /nfs/dbraw/zinc/40/98/53/564409853.db2.gz YUUZOYKEUREQOV-MRXNPFEDSA-N 1 0 399.329 2.813 20 0 GFADRO CC[C@H](CSC)NC(=O)C(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000512737873 564409936 /nfs/dbraw/zinc/40/99/36/564409936.db2.gz BPGWRMXQGBTMRM-FMKPAKJESA-N 1 0 383.583 2.505 20 0 GFADRO C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000452372018 564410243 /nfs/dbraw/zinc/41/02/43/564410243.db2.gz BQPVPDHUVRPCFT-JSGCOSHPSA-N 1 0 375.296 2.724 20 0 GFADRO O=C(N[C@H]1CCC[N@@H+](CCCO)C1)c1cc2c(ccc(F)c2Br)[nH]1 ZINC000452385318 564411496 /nfs/dbraw/zinc/41/14/96/564411496.db2.gz JDIZHUVBOWIPGL-NSHDSACASA-N 1 0 398.276 2.646 20 0 GFADRO CC[N@@H+]1CCC[C@@H](NC(=O)NCc2cc(Br)cc3c2OCC3)C1 ZINC000545193825 564412255 /nfs/dbraw/zinc/41/22/55/564412255.db2.gz FVNDBZSEPIXQTE-OAHLLOKOSA-N 1 0 382.302 2.668 20 0 GFADRO Cc1ccc(-c2ncc(C[NH2+]C[C@@H]3CCCC[C@@H]3NS(C)(=O)=O)s2)o1 ZINC000512849242 564413517 /nfs/dbraw/zinc/41/35/17/564413517.db2.gz CHZLCOQWWHOWGL-ZFWWWQNUSA-N 1 0 383.539 2.909 20 0 GFADRO CN1C(=O)C[C@H](C(=O)NCC[NH+]2CCCC2)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000478736852 564413906 /nfs/dbraw/zinc/41/39/06/564413906.db2.gz DCBDBGAPXGIENW-SUMWQHHRSA-N 1 0 384.307 2.725 20 0 GFADRO CC[NH+](CC)CCS(=O)(=O)N[C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 ZINC000568331675 564414242 /nfs/dbraw/zinc/41/42/42/564414242.db2.gz LPQBNGGOVDFPHS-JKSUJKDBSA-N 1 0 378.897 2.570 20 0 GFADRO CS(=O)(=O)N[C@H]1CCCC[C@H]1C[NH2+]Cc1ccc(Br)s1 ZINC000512859193 564414605 /nfs/dbraw/zinc/41/46/05/564414605.db2.gz ASRYPZZLZMGDLD-JQWIXIFHSA-N 1 0 381.361 2.708 20 0 GFADRO COc1ccc(C[NH2+]C[C@H]2CCCC[C@H]2NS(C)(=O)=O)c(Cl)c1OC ZINC000512856795 564414886 /nfs/dbraw/zinc/41/48/86/564414886.db2.gz OOVQMEFRWDRGNT-TZMCWYRMSA-N 1 0 390.933 2.555 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@]12CCC(=O)N1c1cc(Cl)ccc1S2 ZINC000512966546 564416937 /nfs/dbraw/zinc/41/69/37/564416937.db2.gz ISESOTKJOMKXJB-FZKQIMNGSA-N 1 0 379.913 2.869 20 0 GFADRO CS(=O)(=O)N1CCCC[C@@H]1C[NH2+]Cc1c[nH]nc1-c1ccc(Cl)cc1 ZINC000512977237 564417047 /nfs/dbraw/zinc/41/70/47/564417047.db2.gz IXECUDUTZAAXQS-MRXNPFEDSA-N 1 0 382.917 2.634 20 0 GFADRO Nc1cc[nH+]cc1C(=O)N1CCC(Oc2cccc(Br)c2)CC1 ZINC000568396121 564417527 /nfs/dbraw/zinc/41/75/27/564417527.db2.gz VEAMEEXLYPFBLE-UHFFFAOYSA-N 1 0 376.254 2.940 20 0 GFADRO CC[N@H+](CCNC(=O)N(CCO)Cc1ccc(Br)s1)C(C)C ZINC000478896571 564417960 /nfs/dbraw/zinc/41/79/60/564417960.db2.gz ZKAKFJYIUPJCQA-UHFFFAOYSA-N 1 0 392.363 2.745 20 0 GFADRO O=S(=O)(C1CC1)N1CCC[C@@H]([NH2+]Cc2ccc(F)c(C(F)(F)F)c2)C1 ZINC000513050785 564418521 /nfs/dbraw/zinc/41/85/21/564418521.db2.gz ILXDCZLLTJAKBD-GFCCVEGCSA-N 1 0 380.407 2.891 20 0 GFADRO COc1ccc(CC[NH2+][C@@H](C(N)=O)c2cccc(Br)c2)c(OC)c1 ZINC000478961668 564420091 /nfs/dbraw/zinc/42/00/91/564420091.db2.gz PAJRWRATDIVGAK-QGZVFWFLSA-N 1 0 393.281 2.825 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)C(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000478968231 564420793 /nfs/dbraw/zinc/42/07/93/564420793.db2.gz XNEPWYNRPLJYBS-SMDDNHRTSA-N 1 0 394.313 2.691 20 0 GFADRO CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)C[N@H+](C)[C@H]1CCSC1 ZINC000478985498 564421504 /nfs/dbraw/zinc/42/15/04/564421504.db2.gz PNBZJOCXONHUEJ-NSHDSACASA-N 1 0 390.336 2.828 20 0 GFADRO CCN(CC)C(=O)C[NH2+][C@@](C)(CC(=O)OC)c1ccc(Br)cc1 ZINC000513145381 564422273 /nfs/dbraw/zinc/42/22/73/564422273.db2.gz SEBHIVREYQRKNJ-KRWDZBQOSA-N 1 0 385.302 2.685 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000479035716 564422923 /nfs/dbraw/zinc/42/29/23/564422923.db2.gz SPWGSWWPPHDGRE-FZMZJTMJSA-N 1 0 382.302 2.549 20 0 GFADRO Cc1cc(Br)ccc1CN(C)C(=O)c1ccn(CC[NH+](C)C)n1 ZINC000568528701 564423273 /nfs/dbraw/zinc/42/32/73/564423273.db2.gz CWAPOPBZULUEGB-UHFFFAOYSA-N 1 0 379.302 2.788 20 0 GFADRO O[C@@H](COc1cc(F)cc(Br)c1)C[N@@H+]1CC[C@H](O)C12CCCC2 ZINC000568585791 564426203 /nfs/dbraw/zinc/42/62/03/564426203.db2.gz JURVIEKPZKPIKI-ZBFHGGJFSA-N 1 0 388.277 2.707 20 0 GFADRO COC(=O)[C@@H]1C[N@H+](Cc2cnccn2)C[C@H]1c1ccc(Br)cc1 ZINC000568620853 564426725 /nfs/dbraw/zinc/42/67/25/564426725.db2.gz SZMUIQXOTTXMRQ-JKSUJKDBSA-N 1 0 376.254 2.628 20 0 GFADRO C[NH+]1CCN(c2cc(C(=O)NCc3ccsc3Br)ccn2)CC1 ZINC000513323199 564426860 /nfs/dbraw/zinc/42/68/60/564426860.db2.gz DUVMHBLHEQJYIZ-UHFFFAOYSA-N 1 0 395.326 2.587 20 0 GFADRO COC(=O)c1cn([C@@H]2CC[N@H+](CCOc3cc(Cl)cc(Cl)c3)C2)nn1 ZINC000545519790 564427081 /nfs/dbraw/zinc/42/70/81/564427081.db2.gz XPCGFPITQXZWLO-CYBMUJFWSA-N 1 0 385.251 2.697 20 0 GFADRO Cn1cc(Br)c(CNC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)n1 ZINC000452754264 564429900 /nfs/dbraw/zinc/42/99/00/564429900.db2.gz KHDSSQKNZMBYTJ-HNNXBMFYSA-N 1 0 391.313 2.711 20 0 GFADRO CC(C)C[C@@H](Cc1cccc(Br)c1)C(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC000545862000 564434174 /nfs/dbraw/zinc/43/41/74/564434174.db2.gz AZCLJUFYKMHILW-QFBILLFUSA-N 1 0 397.357 2.837 20 0 GFADRO C[C@H](Sc1ccnc2cc(Cl)ccc21)C(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000545862103 564434292 /nfs/dbraw/zinc/43/42/92/564434292.db2.gz XSLYNGQQUODDNM-SGTLLEGYSA-N 1 0 379.913 2.552 20 0 GFADRO CC(C)(CS(C)(=O)=O)[NH2+]Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000545872127 564435458 /nfs/dbraw/zinc/43/54/58/564435458.db2.gz SPWMTGBKGNZAIP-UHFFFAOYSA-N 1 0 375.416 2.804 20 0 GFADRO OC[C@H]1CCCC[N@@H+]1CCCOc1cccc(I)c1 ZINC000513683134 564435811 /nfs/dbraw/zinc/43/58/11/564435811.db2.gz GWJBECBGNPDTKG-CQSZACIVSA-N 1 0 375.250 2.907 20 0 GFADRO C[C@@H](c1ccccc1Br)[N@@H+]1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC000513685339 564436124 /nfs/dbraw/zinc/43/61/24/564436124.db2.gz YUNIQLZGQCQGAS-STQMWFEESA-N 1 0 375.332 2.771 20 0 GFADRO Cc1sc(C(=O)N(CCC[NH3+])Cc2ccccc2)cc1CS(C)(=O)=O ZINC000479347628 564437599 /nfs/dbraw/zinc/43/75/99/564437599.db2.gz IKRBMLWZYFDDME-UHFFFAOYSA-N 1 0 380.535 2.592 20 0 GFADRO CC(C)[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000568881416 564439124 /nfs/dbraw/zinc/43/91/24/564439124.db2.gz FQXPGXLBBDTKKI-WOSRLPQWSA-N 1 0 383.945 2.660 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](c3ccc(Br)cc3)N3CCCC3)C[C@@H]21 ZINC000452973132 564439816 /nfs/dbraw/zinc/43/98/16/564439816.db2.gz JPGPTNZBKWGKIS-BPQIPLTHSA-N 1 0 392.341 2.749 20 0 GFADRO CCS(=O)(=O)N1CC(C[NH2+][C@H]2CCCc3cc(Br)ccc32)C1 ZINC000479448785 564440527 /nfs/dbraw/zinc/44/05/27/564440527.db2.gz FHLRIHHFPLUOAX-INIZCTEOSA-N 1 0 387.343 2.698 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C(=O)N1C[C@H]2CC[N@@H+](C)[C@H]2C1 ZINC000452974854 564440658 /nfs/dbraw/zinc/44/06/58/564440658.db2.gz MGIJIKILMMOAON-DYVFJYSZSA-N 1 0 389.297 2.719 20 0 GFADRO Cc1cc(C)c(C(=O)N2C[C@H]3CC[N@@H+](C)[C@H]3C2)cc1I ZINC000453003459 564442269 /nfs/dbraw/zinc/44/22/69/564442269.db2.gz IIKWCGGAOXOSOX-DOMZBBRYSA-N 1 0 384.261 2.684 20 0 GFADRO CCN(CC)[C@H](C)C[NH2+][C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000479491557 564442444 /nfs/dbraw/zinc/44/24/44/564442444.db2.gz SRXXPINFXRDHNT-IUODEOHRSA-N 1 0 389.359 2.988 20 0 GFADRO CC[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000568967324 564442496 /nfs/dbraw/zinc/44/24/96/564442496.db2.gz RDGMWXXSJDRXPG-WFASDCNBSA-N 1 0 386.323 2.628 20 0 GFADRO CC(C)C[N@@H+]1CCCC[C@H]1CNS(=O)(=O)c1ccc(Br)o1 ZINC000546071003 564442976 /nfs/dbraw/zinc/44/29/76/564442976.db2.gz OKWDVQJEGTYRRB-LBPRGKRZSA-N 1 0 379.320 2.831 20 0 GFADRO CO[C@H]1CCN(C(=O)c2cc(Br)cc(OC(C)C)c2)[C@H](C[NH3+])C1 ZINC000568989837 564444304 /nfs/dbraw/zinc/44/43/04/564444304.db2.gz OIRSOXCZTFKOTM-GJZGRUSLSA-N 1 0 385.302 2.815 20 0 GFADRO [NH3+]CCCCn1cc(C(=O)Nc2cc(Br)ccc2NC2CC2)nn1 ZINC000569007817 564445202 /nfs/dbraw/zinc/44/52/02/564445202.db2.gz MWHWIVWOBVQPAN-UHFFFAOYSA-N 1 0 393.289 2.606 20 0 GFADRO CC(C)([NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1)c1ccc(Br)cc1 ZINC000514076251 564445882 /nfs/dbraw/zinc/44/58/82/564445882.db2.gz UWTPNUSQKAYYMB-LBPRGKRZSA-N 1 0 375.332 2.555 20 0 GFADRO COCCN(C)CC[NH2+][C@H](C)c1ccc(F)c(I)c1 ZINC000453101214 564446571 /nfs/dbraw/zinc/44/65/71/564446571.db2.gz YPWVAZCVIVWMKA-LLVKDONJSA-N 1 0 380.245 2.659 20 0 GFADRO C[C@@H]([NH2+][C@H]1CCCN(C)C1=O)c1ccc(F)c(I)c1 ZINC000453132817 564447602 /nfs/dbraw/zinc/44/76/02/564447602.db2.gz MTLFHEMRCZEKQZ-RNCFNFMXSA-N 1 0 376.213 2.702 20 0 GFADRO C[NH+](C)[C@]1(CNC(=O)N2CCc3cc(Br)ccc3C2)CCSC1 ZINC000479684856 564447704 /nfs/dbraw/zinc/44/77/04/564447704.db2.gz ARGCNCJSLZDPBH-KRWDZBQOSA-N 1 0 398.370 2.954 20 0 GFADRO COc1cc(C)c(C[NH2+]CCNC(=O)c2ccc(Br)cc2)c(C)n1 ZINC000514233846 564447690 /nfs/dbraw/zinc/44/76/90/564447690.db2.gz GAHJUDXEJIQDAO-UHFFFAOYSA-N 1 0 392.297 2.989 20 0 GFADRO CC(=O)N1CC[C@H]([NH2+][C@H](C)c2ccc(F)c(I)c2)C1 ZINC000453148784 564448683 /nfs/dbraw/zinc/44/86/83/564448683.db2.gz PWGJTMLXVJYQCQ-SKDRFNHKSA-N 1 0 376.213 2.702 20 0 GFADRO CCOC(=O)[C@H](C)[C@H](C)[NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000514247833 564449198 /nfs/dbraw/zinc/44/91/98/564449198.db2.gz HSIZPBAFHRWADM-UHIISALHSA-N 1 0 392.265 2.505 20 0 GFADRO CCN(C)C(=O)[C@H](C)[NH2+][C@H](C)c1ccc(F)c(I)c1 ZINC000453224804 564450045 /nfs/dbraw/zinc/45/00/45/564450045.db2.gz XBGNMUHVQRQFRN-ZJUUUORDSA-N 1 0 378.229 2.948 20 0 GFADRO CNC(=O)c1ccc(NC(=O)NCC2(SC)CC[NH+](C)CC2)cc1Cl ZINC000569175037 564451957 /nfs/dbraw/zinc/45/19/57/564451957.db2.gz AJQVLFWUDGQARU-UHFFFAOYSA-N 1 0 384.933 2.649 20 0 GFADRO C[C@@H](N[C@@H](C)C(C)(F)F)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000453279531 564452226 /nfs/dbraw/zinc/45/22/26/564452226.db2.gz FWHDYVJHBFZQKC-KGLIPLIRSA-N 1 0 377.501 2.611 20 0 GFADRO CC[C@@H](NC(=O)N1CCC[C@H](n2cc(C[NH3+])nn2)C1)c1ccc(Cl)s1 ZINC000514663063 564452918 /nfs/dbraw/zinc/45/29/18/564452918.db2.gz ODZSWWVGCVXPHO-QWHCGFSZSA-N 1 0 382.921 2.950 20 0 GFADRO O[C@H](C[NH2+]CCc1cnc2c(Cl)cnn2c1)COc1ccc(Cl)cc1 ZINC000514669250 564453620 /nfs/dbraw/zinc/45/36/20/564453620.db2.gz XKGIGIQPLJPELE-CQSZACIVSA-N 1 0 381.263 2.608 20 0 GFADRO O=S1(=O)CC[C@@H]([NH2+]C[C@H]2CCCC[C@@H]2O)c2cc(Br)ccc21 ZINC000453339799 564454146 /nfs/dbraw/zinc/45/41/46/564454146.db2.gz GVMHUMZOUSJBBE-DFBGVHRSSA-N 1 0 388.327 2.808 20 0 GFADRO CC[C@@H](C[C@H](C)CO)[NH2+]CCS(=O)(=O)c1cccc(Br)c1 ZINC000569222909 564454927 /nfs/dbraw/zinc/45/49/27/564454927.db2.gz QTDNGPGEBHOPIB-JSGCOSHPSA-N 1 0 378.332 2.610 20 0 GFADRO Cc1ccc(C[C@H](CO)C[NH2+][C@H](C)Cc2cnccn2)cc1Br ZINC000453379662 564455893 /nfs/dbraw/zinc/45/58/93/564455893.db2.gz QPVAFMWTBCCGBL-ZBFHGGJFSA-N 1 0 378.314 2.919 20 0 GFADRO Cc1cc(Br)c(C[NH2+][C@@H]2CCC(=O)N[C@H]2c2ccnn2C)s1 ZINC000453592453 564459709 /nfs/dbraw/zinc/45/97/09/564459709.db2.gz HXSVIGKEPMBAII-IAQYHMDHSA-N 1 0 383.315 2.662 20 0 GFADRO CC1=CC[N@H+](CCNC(=O)c2ccc(F)c(I)c2)CC1 ZINC000546574411 564460553 /nfs/dbraw/zinc/46/05/53/564460553.db2.gz BBVLNUVAQHXRHE-UHFFFAOYSA-N 1 0 388.224 2.812 20 0 GFADRO CC[NH+](CC)Cc1cccc(CNc2ncc(I)cn2)c1 ZINC000546619815 564461919 /nfs/dbraw/zinc/46/19/19/564461919.db2.gz PTFUMPGRIDNRNB-UHFFFAOYSA-N 1 0 396.276 3.535 20 0 GFADRO CCCN(CC)CC[NH2+][C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000480165358 564462039 /nfs/dbraw/zinc/46/20/39/564462039.db2.gz PXAYNLBSXUSHCH-HNNXBMFYSA-N 1 0 389.359 2.989 20 0 GFADRO C[NH2+]C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2Br)CC1 ZINC000514937294 564462937 /nfs/dbraw/zinc/46/29/37/564462937.db2.gz ISSHJZSVLPSGEQ-UHFFFAOYSA-N 1 0 381.723 2.616 20 0 GFADRO O=C(c1ccc(C[NH2+]Cc2cncc(Br)c2)cc1)N1CCOCC1 ZINC000546632890 564463041 /nfs/dbraw/zinc/46/30/41/564463041.db2.gz QMAASFJTVRXQMD-UHFFFAOYSA-N 1 0 390.281 2.606 20 0 GFADRO C[C@H](CC[NH+](C)C)N[C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000480234131 564464594 /nfs/dbraw/zinc/46/45/94/564464594.db2.gz WRDVQESSMBYHSZ-RISCZKNCSA-N 1 0 375.332 2.597 20 0 GFADRO CSc1ccc(OC[C@@H](O)C[NH2+]Cc2cnn(CC(F)(F)F)c2)cc1 ZINC000569476191 564465710 /nfs/dbraw/zinc/46/57/10/564465710.db2.gz QKQRKGYWDNJYDG-ZDUSSCGKSA-N 1 0 375.416 2.697 20 0 GFADRO CN(C1CC([NH3+])C1)S(=O)(=O)c1ccc(Br)cc1C(F)(F)F ZINC000569483789 564465843 /nfs/dbraw/zinc/46/58/43/564465843.db2.gz CBLXZRRTKWRWDH-UHFFFAOYSA-N 1 0 387.221 2.578 20 0 GFADRO O=C(NCc1nc2cc(Cl)ccc2s1)NC[C@H]1CCCC[N@H+]1CCO ZINC000514998473 564466179 /nfs/dbraw/zinc/46/61/79/564466179.db2.gz KTBPOEJLJZSTOC-CYBMUJFWSA-N 1 0 382.917 2.596 20 0 GFADRO O=S1(=O)CC[C@H](N[C@H]2CC[N@@H+]3CCC[C@H]3C2)c2cc(Br)ccc21 ZINC000480262287 564467092 /nfs/dbraw/zinc/46/70/92/564467092.db2.gz JREAKWNAVDZVQR-DZKIICNBSA-N 1 0 399.354 2.884 20 0 GFADRO CCN1CCC([NH2+][C@H]2CCS(=O)(=O)c3ccc(Br)cc32)CC1 ZINC000480323693 564468741 /nfs/dbraw/zinc/46/87/41/564468741.db2.gz DQNOKHCHEKXHNV-HNNXBMFYSA-N 1 0 387.343 2.742 20 0 GFADRO CCN1CCC[C@@H]1C[NH2+][C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000480330606 564468805 /nfs/dbraw/zinc/46/88/05/564468805.db2.gz UCAQNCVRPJIKPA-HIFRSBDPSA-N 1 0 387.343 2.742 20 0 GFADRO CC(C)[N@H+](C)C[C@H](C)NC(=O)C(=O)Nc1cc(Cl)cc(Br)c1 ZINC000453753750 564469484 /nfs/dbraw/zinc/46/94/84/564469484.db2.gz QWZNTVKEKJAORN-JTQLQIEISA-N 1 0 390.709 2.886 20 0 GFADRO COC[C@H](C)OC[C@H](O)C[NH2+]CC1(c2ccc(Br)s2)CCC1 ZINC000515188222 564471192 /nfs/dbraw/zinc/47/11/92/564471192.db2.gz YJUWUAXVXYNRJE-QWHCGFSZSA-N 1 0 392.359 2.934 20 0 GFADRO C[C@]1(C[NH2+]C[C@@H](O)COc2cc(F)cc(Br)c2)CCCC[C@H]1O ZINC000569605540 564471415 /nfs/dbraw/zinc/47/14/15/564471415.db2.gz MMPIBPWEBUFRFY-DJIMGWMZSA-N 1 0 390.293 2.859 20 0 GFADRO CC(C)[NH2+]C1(CO)CCN(Cc2ccc(I)cc2)CC1 ZINC000515178580 564471697 /nfs/dbraw/zinc/47/16/97/564471697.db2.gz UTEJBFMLVAEPPL-UHFFFAOYSA-N 1 0 388.293 2.616 20 0 GFADRO COC(=O)c1cc(C[NH2+][C@](C)(CO)c2ccc(Br)cc2)cn1C ZINC000515228111 564473144 /nfs/dbraw/zinc/47/31/44/564473144.db2.gz FTZDIOKTLHMJDN-QGZVFWFLSA-N 1 0 381.270 2.572 20 0 GFADRO O=C(N[C@@H](c1cccs1)c1ccc(Cl)cc1)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000480502290 564475656 /nfs/dbraw/zinc/47/56/56/564475656.db2.gz XRMKWQAVMUVDTO-FUHWJXTLSA-N 1 0 375.925 2.997 20 0 GFADRO COc1ccc(CN2CCC(OCC[NH+](C)C)CC2)c(Br)c1O ZINC000546973881 564476399 /nfs/dbraw/zinc/47/63/99/564476399.db2.gz PWTXUUMJBDXVCQ-UHFFFAOYSA-N 1 0 387.318 2.706 20 0 GFADRO C[C@@H](NC(=O)c1cc[nH]c(=O)c1Br)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000515450992 564479190 /nfs/dbraw/zinc/47/91/90/564479190.db2.gz GIUCZUOOQCUCDE-NEPJUHHUSA-N 1 0 382.302 2.933 20 0 GFADRO C[NH+](C)C[C@H]1CCCN1c1ncnc2cccc(I)c21 ZINC000547284893 564482252 /nfs/dbraw/zinc/48/22/52/564482252.db2.gz BGLMPGDPKCKWQH-LLVKDONJSA-N 1 0 382.249 2.765 20 0 GFADRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NCc1cc(Br)cc2c1OCC2 ZINC000547315250 564484502 /nfs/dbraw/zinc/48/45/02/564484502.db2.gz HEZKTUIUTXPNGF-MEDUHNTESA-N 1 0 394.313 2.666 20 0 GFADRO Cc1cc(F)c(Br)cc1S(=O)(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000480741442 564485502 /nfs/dbraw/zinc/48/55/02/564485502.db2.gz ZWOBUBNMHZZHOF-QWRGUYRKSA-N 1 0 391.306 2.800 20 0 GFADRO CC1=CCN(CCNC(=O)C(C)(C)S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000569998379 564486897 /nfs/dbraw/zinc/48/68/97/564486897.db2.gz BWWFTHJCHANZSB-UHFFFAOYSA-N 1 0 384.929 2.661 20 0 GFADRO CN(CCC[NH+]1CCCC1)C(=O)c1cccc(F)c1I ZINC000547400745 564487219 /nfs/dbraw/zinc/48/72/19/564487219.db2.gz JYGYUEMVFZWVJK-UHFFFAOYSA-N 1 0 390.240 2.988 20 0 GFADRO COC1CCC([NH2+]CCS(=O)(=O)c2cccc(Br)c2)CC1 ZINC000515833725 564488690 /nfs/dbraw/zinc/48/86/90/564488690.db2.gz OVTIJMPJMXCDOG-UHFFFAOYSA-N 1 0 376.316 2.770 20 0 GFADRO CCS(=O)(=O)c1c(Cl)cccc1C[NH2+][C@@H]1CCN(CC(F)(F)F)C1 ZINC000547499493 564490699 /nfs/dbraw/zinc/49/06/99/564490699.db2.gz CMSDJEDYRMAMQV-GFCCVEGCSA-N 1 0 384.851 2.860 20 0 GFADRO O=C(Nc1cccc(Cl)c1Cl)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000516016375 564491079 /nfs/dbraw/zinc/49/10/79/564491079.db2.gz CNQLQFIDUVTZFU-CJNGLKHVSA-N 1 0 385.295 2.762 20 0 GFADRO CC[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)NCC1CC[NH2+]CC1 ZINC000516027358 564491151 /nfs/dbraw/zinc/49/11/51/564491151.db2.gz DPHBPJBTSXFLNX-HNNXBMFYSA-N 1 0 386.323 2.547 20 0 GFADRO O=C(Cc1cccc(I)c1)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000516058475 564492467 /nfs/dbraw/zinc/49/24/67/564492467.db2.gz BQVNASWVNSFLLE-LSDHHAIUSA-N 1 0 398.288 2.682 20 0 GFADRO CC1(C)CCC[N@@H+]1CCNC(=O)C(=O)Nc1ccc(F)cc1Br ZINC000454063286 564495105 /nfs/dbraw/zinc/49/51/05/564495105.db2.gz AXHMEHFYZVYZGX-UHFFFAOYSA-N 1 0 386.265 2.517 20 0 GFADRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)NCCSCc1ccc(Cl)cc1Cl ZINC000516182226 564496083 /nfs/dbraw/zinc/49/60/83/564496083.db2.gz NNKQVHWZVDMQOW-GHMZBOCLSA-N 1 0 392.352 2.585 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C(C)C)C2)c(Br)c1 ZINC000454085087 564497018 /nfs/dbraw/zinc/49/70/18/564497018.db2.gz DZBFGCPJNJJSKV-AWEZNQCLSA-N 1 0 396.329 2.946 20 0 GFADRO C[N@@H+]1CCN(C(=O)CNC(=O)c2sc3ccccc3c2Cl)CC1(C)C ZINC000570295229 564500015 /nfs/dbraw/zinc/50/00/15/564500015.db2.gz ZYZRXQYGDWUBFW-UHFFFAOYSA-N 1 0 379.913 2.837 20 0 GFADRO COCC[N@H+](C)CCCNC(=O)c1cc2c([nH]1)c(Br)ccc2OC ZINC000516384454 564500427 /nfs/dbraw/zinc/50/04/27/564500427.db2.gz NAVGFKUZZFPQLD-UHFFFAOYSA-N 1 0 398.301 2.637 20 0 GFADRO Cc1onc(-c2cccc(Cl)c2Cl)c1C(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000516383717 564500645 /nfs/dbraw/zinc/50/06/45/564500645.db2.gz LUTJZOVRLZZAIG-QGZVFWFLSA-N 1 0 384.263 2.753 20 0 GFADRO C[C@@H]1CC(C)(C)CC[C@H]1[NH2+]CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl ZINC000481099569 564503106 /nfs/dbraw/zinc/50/31/06/564503106.db2.gz AVDJMMRURXGHSM-BXUZGUMPSA-N 1 0 387.933 2.730 20 0 GFADRO Cn1cncc1CCC[NH+]1CCN(Cc2ccc(Br)s2)CC1 ZINC000516488254 564503151 /nfs/dbraw/zinc/50/31/51/564503151.db2.gz KBEFXPLLBTXFAX-UHFFFAOYSA-N 1 0 383.359 2.995 20 0 GFADRO C[C@H]1CC(C)(C)CC[C@H]1[NH2+]CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl ZINC000481099573 564503272 /nfs/dbraw/zinc/50/32/72/564503272.db2.gz AVDJMMRURXGHSM-SMDDNHRTSA-N 1 0 387.933 2.730 20 0 GFADRO CCC[N@H+](CC)C[C@@H](C)NC(=O)Cc1cc2c(cc1Br)OCCO2 ZINC000570444492 564506430 /nfs/dbraw/zinc/50/64/30/564506430.db2.gz PQEGIVRJKBALTO-CYBMUJFWSA-N 1 0 399.329 2.999 20 0 GFADRO C[NH+](C)Cc1ccccc1CNC(=O)c1ccc(I)cn1 ZINC000454351190 564507446 /nfs/dbraw/zinc/50/74/46/564507446.db2.gz SDYJIINITPZFDT-UHFFFAOYSA-N 1 0 395.244 2.678 20 0 GFADRO C[NH+](C)[C@]1(CNC(=O)NCCc2ccccc2C(F)(F)F)CCSC1 ZINC000481261096 564508475 /nfs/dbraw/zinc/50/84/75/564508475.db2.gz DOAIKIDHFRXHPF-INIZCTEOSA-N 1 0 375.460 2.984 20 0 GFADRO CC[C@H](C)[NH2+][C@@H](CNC(=O)NCc1n[nH]cc1Br)c1ccco1 ZINC000570621422 564514792 /nfs/dbraw/zinc/51/47/92/564514792.db2.gz IELBVWFQMXAXFL-GWCFXTLKSA-N 1 0 384.278 2.694 20 0 GFADRO C[C@H](Oc1ccc(Br)cc1)C(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000516926630 564517032 /nfs/dbraw/zinc/51/70/32/564517032.db2.gz TXVGFZZTXJEAFE-VUCTXSBTSA-N 1 0 397.313 2.571 20 0 GFADRO CCCN(CC1CC1)S(=O)(=O)NC[C@@H](c1ccc(SC)cc1)[NH+](C)C ZINC000570691435 564517193 /nfs/dbraw/zinc/51/71/93/564517193.db2.gz PUFLPDQNLXINQK-SFHVURJKSA-N 1 0 385.599 2.968 20 0 GFADRO CN(C(=O)c1cccc(NC(=O)c2ccc(Br)o2)c1)C1CC([NH3+])C1 ZINC000570718005 564518193 /nfs/dbraw/zinc/51/81/93/564518193.db2.gz KXBPFRSBNWOKPB-UHFFFAOYSA-N 1 0 392.253 2.856 20 0 GFADRO C[C@@H](Cc1ccc(F)c(Br)c1)NC(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000454681230 564519026 /nfs/dbraw/zinc/51/90/26/564519026.db2.gz BFYFKBYVTJRNDC-DETPVDSQSA-N 1 0 384.293 2.865 20 0 GFADRO Cc1nc(CNC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)sc1Br ZINC000454674970 564519203 /nfs/dbraw/zinc/51/92/03/564519203.db2.gz VRTSTUNJDGZERM-JTQLQIEISA-N 1 0 377.352 2.990 20 0 GFADRO C[NH+](C)CCn1ccc(C(=O)N[C@@H]2CSc3ccc(Br)cc32)n1 ZINC000570862490 564524853 /nfs/dbraw/zinc/52/48/53/564524853.db2.gz SKANOIYRAHEJHF-CQSZACIVSA-N 1 0 395.326 2.784 20 0 GFADRO CO[C@@H]1CCN(C(=O)CCCCOc2ccc(Br)cc2)[C@H](C[NH3+])C1 ZINC000517125739 564525039 /nfs/dbraw/zinc/52/50/39/564525039.db2.gz ZCUPHIWAZUDLSB-DOTOQJQBSA-N 1 0 399.329 2.963 20 0 GFADRO C[C@H]([NH3+])C[C@H](C)NC(=O)c1nn(-c2cccc(Br)c2)c2c1CCC2 ZINC000517150380 564525313 /nfs/dbraw/zinc/52/53/13/564525313.db2.gz MEJYRWZXFJNLGV-RYUDHWBXSA-N 1 0 391.313 2.979 20 0 GFADRO C[C@@H](CNC(=O)Nc1cc(F)c(F)cc1I)[NH+](C)C ZINC000454888787 564525914 /nfs/dbraw/zinc/52/59/14/564525914.db2.gz IHBCWIQAHSOZBE-ZETCQYMHSA-N 1 0 383.180 2.641 20 0 GFADRO C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@H]1CCn2ccnc2C1 ZINC000547979827 564526241 /nfs/dbraw/zinc/52/62/41/564526241.db2.gz QBVMGGIEYZVVAV-WFASDCNBSA-N 1 0 377.286 2.967 20 0 GFADRO CC[NH+](CC)CC[C@H](CO)NC(=O)[C@H](C)Oc1cc(Cl)cc(Cl)c1 ZINC000570989542 564530632 /nfs/dbraw/zinc/53/06/32/564530632.db2.gz HFQSHSHBEGGTGS-SWLSCSKDSA-N 1 0 377.312 2.970 20 0 GFADRO O=C(NC[C@@H]1CCCC[N@H+]1CCO)Nc1cc(F)c(Br)cc1F ZINC000455030385 564532548 /nfs/dbraw/zinc/53/25/48/564532548.db2.gz JUDMLTTYIQEBBY-JTQLQIEISA-N 1 0 392.244 2.696 20 0 GFADRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNS(=O)(=O)c1cc2c(cc1Cl)OCCO2 ZINC000517414991 564533674 /nfs/dbraw/zinc/53/36/74/564533674.db2.gz NBFFTQZKSCRNPM-CHWSQXEVSA-N 1 0 388.917 2.652 20 0 GFADRO O=S(=O)(c1ccccc1OC(F)(F)F)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000517415460 564533839 /nfs/dbraw/zinc/53/38/39/564533839.db2.gz UXGRLLWEGUOGQM-ZDUSSCGKSA-N 1 0 378.416 2.834 20 0 GFADRO Cc1nn(C)cc1[C@H](C)[NH2+]CCCNC(=O)c1ccc(Br)cc1 ZINC000482089635 564534117 /nfs/dbraw/zinc/53/41/17/564534117.db2.gz QVHWZNUDMVJPKH-LBPRGKRZSA-N 1 0 379.302 2.962 20 0 GFADRO CCCN(CC1CC1)S(=O)(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000482108609 564534225 /nfs/dbraw/zinc/53/42/25/564534225.db2.gz YRTQBBYVKWJTGV-UHFFFAOYSA-N 1 0 389.631 2.695 20 0 GFADRO CSC1(CNC(=O)c2cccc(OCC(F)(F)F)n2)CC[NH+](C)CC1 ZINC000571100259 564536541 /nfs/dbraw/zinc/53/65/41/564536541.db2.gz HWGKVSYVESHNCO-UHFFFAOYSA-N 1 0 377.432 2.580 20 0 GFADRO C[C@@H](NC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1)c1cc(F)c(Cl)cc1Cl ZINC000571160723 564538230 /nfs/dbraw/zinc/53/82/30/564538230.db2.gz UASXUWOGXBCXGD-OTYXRUKQSA-N 1 0 376.259 2.568 20 0 GFADRO C[C@@H](CNC(=O)Nc1ccnn1Cc1ccc(Br)cc1)[NH+](C)C ZINC000455197585 564541624 /nfs/dbraw/zinc/54/16/24/564541624.db2.gz JACDWFKBVZKELD-LBPRGKRZSA-N 1 0 380.290 2.766 20 0 GFADRO O=C(NC[C@@H]1CCN(c2cccc(Br)c2)C1)NC[C@@H]1CCC[NH2+]C1 ZINC000517899510 564543329 /nfs/dbraw/zinc/54/33/29/564543329.db2.gz UKYZGDNSYICHDE-CABCVRRESA-N 1 0 395.345 2.574 20 0 GFADRO CCOC(=O)CC[C@H](O)C[NH2+]C[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000571277138 564543675 /nfs/dbraw/zinc/54/36/75/564543675.db2.gz MPXQYCIEVCQLPV-PBHICJAKSA-N 1 0 399.329 2.569 20 0 GFADRO O=c1cc(C[N@@H+]2CCSC[C@@H]2C2CC2)nc2ccc(Br)cn12 ZINC000571375619 564548017 /nfs/dbraw/zinc/54/80/17/564548017.db2.gz UHDLRYMFAKREAX-CQSZACIVSA-N 1 0 380.311 2.784 20 0 GFADRO COc1cc(NC(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc(OC)c1Br ZINC000571414943 564550013 /nfs/dbraw/zinc/55/00/13/564550013.db2.gz MJLBCOBLBDNZOQ-SDDRHHMPSA-N 1 0 398.301 2.976 20 0 GFADRO CN(Cc1ccc(F)cc1Br)C(=O)C[N@H+](C)[C@H]1CCSC1 ZINC000482789334 564550053 /nfs/dbraw/zinc/55/00/53/564550053.db2.gz KWEOGAGHSNYCBT-ZDUSSCGKSA-N 1 0 375.307 2.984 20 0 GFADRO C[C@@H]1[NH2+]CCN(C(=O)NCCNc2ncc(C(F)(F)F)cc2Cl)[C@H]1C ZINC000571419539 564550333 /nfs/dbraw/zinc/55/03/33/564550333.db2.gz KSHCYXIWLDNIKB-UWVGGRQHSA-N 1 0 379.814 2.558 20 0 GFADRO O=C(CNC(=O)c1ccc(Cl)cc1Cl)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000548429823 564552172 /nfs/dbraw/zinc/55/21/72/564552172.db2.gz OWNZQQPLVZXZHU-CQSZACIVSA-N 1 0 384.307 2.810 20 0 GFADRO C[C@@]1(CNC(=O)[C@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)CCC[NH2+]C1 ZINC000518532073 564556006 /nfs/dbraw/zinc/55/60/06/564556006.db2.gz SNEMRDKQOKAGCE-FZKQIMNGSA-N 1 0 384.307 2.852 20 0 GFADRO O=S(=O)(NC[C@H]1[NH2+]CCc2ccccc21)C1CCC(C(F)(F)F)CC1 ZINC000571560601 564557241 /nfs/dbraw/zinc/55/72/41/564557241.db2.gz GORHCKQCYAJRIQ-ZBCRRDGASA-N 1 0 376.444 2.914 20 0 GFADRO C[C@@H]1CN([C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C[C@@]2(CCOC2)O1 ZINC000483173872 564559699 /nfs/dbraw/zinc/55/96/99/564559699.db2.gz IONGUQMTHBUHRP-PZPSRYQVSA-N 1 0 385.291 2.979 20 0 GFADRO C[N@H+](CCCCNC(=O)N[C@@H](CO)c1ccc(Br)cc1)C1CC1 ZINC000455621817 564560375 /nfs/dbraw/zinc/56/03/75/564560375.db2.gz UDTBVWNVHPCEIL-INIZCTEOSA-N 1 0 384.318 2.656 20 0 GFADRO O=C(Nc1ccc(Br)c(C2CC2)n1)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000455628250 564561241 /nfs/dbraw/zinc/56/12/41/564561241.db2.gz RIHPLLZUTDYMHJ-CYBMUJFWSA-N 1 0 397.317 2.690 20 0 GFADRO C[NH+](C)C1(CNC(=O)[C@@H]2C[C@H]2c2cccc(Br)c2)CCOCC1 ZINC000455661185 564563818 /nfs/dbraw/zinc/56/38/18/564563818.db2.gz YXHIRUFEVWQOCY-JKSUJKDBSA-N 1 0 381.314 2.780 20 0 GFADRO CS[C@H]1CN(C(=O)Cc2cc(Cl)cc3c2OCC3)C[C@@H]1[NH+]1CCCC1 ZINC000483399127 564566164 /nfs/dbraw/zinc/56/61/64/564566164.db2.gz YXHMKULMGOPXAQ-IRXDYDNUSA-N 1 0 380.941 2.856 20 0 GFADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(CCOc2cc(Cl)ccc2Cl)CC1 ZINC000483489134 564568884 /nfs/dbraw/zinc/56/88/84/564568884.db2.gz JYGRGTPPZRVURR-MRXNPFEDSA-N 1 0 386.323 2.611 20 0 GFADRO O=C(c1ccc(I)cn1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000455759306 564569735 /nfs/dbraw/zinc/56/97/35/564569735.db2.gz RLVIXKGBZUNLLD-CYBMUJFWSA-N 1 0 399.276 2.634 20 0 GFADRO COc1cccc(CC[NH2+][C@H](C(N)=O)c2ccc(Br)cc2)c1OC ZINC000519225910 564572092 /nfs/dbraw/zinc/57/20/92/564572092.db2.gz RHIVCLWDTSXODV-INIZCTEOSA-N 1 0 393.281 2.825 20 0 GFADRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)Nc1cc(Cl)ccc1Br ZINC000483668545 564572158 /nfs/dbraw/zinc/57/21/58/564572158.db2.gz LLVCBPBMCYNSJZ-SNVBAGLBSA-N 1 0 390.709 2.888 20 0 GFADRO Cc1ncc(Br)cc1NC(=O)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000455812688 564572194 /nfs/dbraw/zinc/57/21/94/564572194.db2.gz YFKUTTCYHMPLGY-UHFFFAOYSA-N 1 0 398.349 2.642 20 0 GFADRO CO[C@@H]1CCCC[C@H]1[NH2+]CCS(=O)(=O)c1cccc(Br)c1 ZINC000483681626 564572896 /nfs/dbraw/zinc/57/28/96/564572896.db2.gz IBYUUWCPDOHHJF-HUUCEWRRSA-N 1 0 376.316 2.770 20 0 GFADRO CC[N@H+](C)C[C@H]1CCN(C(=O)Nc2cc(N(C)C)c(Br)cn2)C1 ZINC000455857818 564574973 /nfs/dbraw/zinc/57/49/73/564574973.db2.gz ARBPXJQFRNDEPM-GFCCVEGCSA-N 1 0 384.322 2.716 20 0 GFADRO Cc1ccc(-c2csc(NC(=O)C(=O)NC[C@@H](C)[NH+]3CCCC3)n2)s1 ZINC000548808595 564576046 /nfs/dbraw/zinc/57/60/46/564576046.db2.gz WFVLYNXFMQTPAY-LLVKDONJSA-N 1 0 378.523 2.719 20 0 GFADRO CC(C)[NH2+]CCCNC(=O)C(=O)N[C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000572015702 564576885 /nfs/dbraw/zinc/57/68/85/564576885.db2.gz DJWWQOHGJJLPMO-HDJSIYSDSA-N 1 0 386.323 2.860 20 0 GFADRO Cc1ccc(F)c(NC(=O)C(=O)NCC(C)(C)C[NH+](C)C)c1Br ZINC000483931329 564578125 /nfs/dbraw/zinc/57/81/25/564578125.db2.gz YGKTVMJXFQXCJY-UHFFFAOYSA-N 1 0 388.281 2.539 20 0 GFADRO C[C@H](CNC(=O)N1CC[NH+](CC2CC2)CC1)Oc1ccccc1Br ZINC000484009603 564579718 /nfs/dbraw/zinc/57/97/18/564579718.db2.gz PWWCULXXKKZPDS-CQSZACIVSA-N 1 0 396.329 2.954 20 0 GFADRO COc1cc([C@@H](C)[NH2+]C[C@H]2CCN(S(=O)(=O)c3cccs3)C2)ccn1 ZINC000519541328 564580583 /nfs/dbraw/zinc/58/05/83/564580583.db2.gz CFOHSSBGCPLNFJ-ZIAGYGMSSA-N 1 0 381.523 2.513 20 0 GFADRO COc1cc([C@H](C)[NH2+]C[C@@H]2CCN(S(=O)(=O)c3cccs3)C2)ccn1 ZINC000519541317 564580705 /nfs/dbraw/zinc/58/07/05/564580705.db2.gz CFOHSSBGCPLNFJ-KBPBESRZSA-N 1 0 381.523 2.513 20 0 GFADRO [NH3+][C@@H]1CCc2ncc(NC(=O)c3ccc(I)cc3)cc2C1 ZINC000519542517 564580927 /nfs/dbraw/zinc/58/09/27/564580927.db2.gz UFWAOXLGVMESME-CYBMUJFWSA-N 1 0 393.228 2.755 20 0 GFADRO O=C(NCCC[NH2+]Cc1cccnc1)[C@@H]1COc2ccc(Br)cc21 ZINC000519646263 564584886 /nfs/dbraw/zinc/58/48/86/564584886.db2.gz OYWSOEATPRNDLW-MRXNPFEDSA-N 1 0 390.281 2.616 20 0 GFADRO CCN(Cc1ccccc1Br)S(=O)(=O)CC[NH+](CC)CC ZINC000572208246 564585313 /nfs/dbraw/zinc/58/53/13/564585313.db2.gz BZXCIQXTJSGMCF-UHFFFAOYSA-N 1 0 377.348 2.943 20 0 GFADRO CN(CC(=O)Nc1ccccc1Br)C(=O)C1CC[NH+](C2CC2)CC1 ZINC000549170077 564587003 /nfs/dbraw/zinc/58/70/03/564587003.db2.gz BIIUTRTXIYNMRM-UHFFFAOYSA-N 1 0 394.313 2.720 20 0 GFADRO CCOc1cc(Br)c(CC(=O)N[C@@H](C)C[NH+](C)C)cc1OCC ZINC000519720399 564587552 /nfs/dbraw/zinc/58/75/52/564587552.db2.gz AYRKNZVEVWMAIB-LBPRGKRZSA-N 1 0 387.318 2.855 20 0 GFADRO COCC[N@H+](CCCN1CCCC1=O)Cc1cc(Br)cs1 ZINC000519739836 564588898 /nfs/dbraw/zinc/58/88/98/564588898.db2.gz UWJUNHVWQCBGSB-UHFFFAOYSA-N 1 0 375.332 2.972 20 0 GFADRO O[C@H]1[C@H](C[NH2+]Cc2cc3c(cc2Br)OCO3)CCC12CCOCC2 ZINC000549264402 564590752 /nfs/dbraw/zinc/59/07/52/564590752.db2.gz ZVHKLEXQMCBCKS-SJCJKPOMSA-N 1 0 398.297 2.835 20 0 GFADRO C[C@H]([NH2+]C1CC1)C(=O)N1CCC(C(=O)Nc2ccccc2Br)CC1 ZINC000572359590 564591057 /nfs/dbraw/zinc/59/10/57/564591057.db2.gz OGOULXSUWZYVHN-LBPRGKRZSA-N 1 0 394.313 2.767 20 0 GFADRO CSCC[C@@H](CO)[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000519822790 564592280 /nfs/dbraw/zinc/59/22/80/564592280.db2.gz DRYPKYADPVWDET-NWDGAFQWSA-N 1 0 398.750 2.546 20 0 GFADRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)[C@@H](c1ccc(Br)cc1)N1CCCC1 ZINC000519825876 564592304 /nfs/dbraw/zinc/59/23/04/564592304.db2.gz NTSMUBDQBAYGOJ-JKIFEVAISA-N 1 0 380.330 2.782 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)c2cc(F)c(F)cc2Br)CC12CCOCC2 ZINC000572402346 564593449 /nfs/dbraw/zinc/59/34/49/564593449.db2.gz HNGOENJJGJWXHG-JTQLQIEISA-N 1 0 389.240 2.555 20 0 GFADRO CCO[C@@H]1COCC[C@H]1[NH2+][C@H](C)C(=O)Nc1ccc(C)cc1Br ZINC000484654737 564593596 /nfs/dbraw/zinc/59/35/96/564593596.db2.gz ROVNVDKORGNCQU-DAXOMENPSA-N 1 0 385.302 2.868 20 0 GFADRO COc1c(Cl)cc(NC(=O)C(=O)N[C@@H](C)C[N@H+](C)C(C)C)cc1Cl ZINC000572417394 564594529 /nfs/dbraw/zinc/59/45/29/564594529.db2.gz NAOSINKPXDOESW-JTQLQIEISA-N 1 0 376.284 2.785 20 0 GFADRO Cc1cccc(NC(=O)C(=O)NCC(C)(C)C[NH+]2CCCC2)c1Br ZINC000484839494 564600432 /nfs/dbraw/zinc/60/04/32/564600432.db2.gz FCUJAXLUIOFDFJ-UHFFFAOYSA-N 1 0 396.329 2.934 20 0 GFADRO C[C@H]1C[N@H+](C)CCN1c1ccc(Br)cc1NC(=O)c1cnn(C)c1 ZINC000456365218 564602552 /nfs/dbraw/zinc/60/25/52/564602552.db2.gz HPPZKIKKFYXIAV-LBPRGKRZSA-N 1 0 392.301 2.575 20 0 GFADRO CS(=O)(=O)C[C@@H]([NH2+][C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1)C1CC1 ZINC000572621867 564602564 /nfs/dbraw/zinc/60/25/64/564602564.db2.gz YGMZBFRFWOOPSQ-MLGOLLRUSA-N 1 0 377.337 2.985 20 0 GFADRO CCCOCC(=O)Nc1cc(Br)ccc1N1CC[N@H+](C)C[C@@H]1C ZINC000456374772 564603381 /nfs/dbraw/zinc/60/33/81/564603381.db2.gz QMBDPYCRTLTAJO-ZDUSSCGKSA-N 1 0 384.318 2.955 20 0 GFADRO C[C@@H]1C[N@H+](C)CCN1c1ccc(Br)cc1NC(=O)[C@H]1CCOC1 ZINC000456381126 564604998 /nfs/dbraw/zinc/60/49/98/564604998.db2.gz WOLHXVBWQRXSBY-OLZOCXBDSA-N 1 0 382.302 2.564 20 0 GFADRO C[C@H]1C[N@H+](C)CCN1c1ccc(Br)cc1NC(=O)C1CCOCC1 ZINC000456378550 564605014 /nfs/dbraw/zinc/60/50/14/564605014.db2.gz VJRJAQGVXQIPEL-ZDUSSCGKSA-N 1 0 396.329 2.955 20 0 GFADRO NS(=O)(=O)[C@@H]1CC[N@H+](Cc2ccc(-c3ccccc3Br)cc2)C1 ZINC000549808370 564605974 /nfs/dbraw/zinc/60/59/74/564605974.db2.gz NLZDIANFBSGIBR-OAHLLOKOSA-N 1 0 395.322 2.979 20 0 GFADRO CCCC(=O)N1CSC[C@H]1C(=O)N1CC[NH2+]C[C@@H]1c1cccc(Cl)c1 ZINC000572869627 564613633 /nfs/dbraw/zinc/61/36/33/564613633.db2.gz GGKOEZXGGOAEFJ-CVEARBPZSA-N 1 0 381.929 2.515 20 0 GFADRO CN(C)CC[N@H+](C)CCCNC(=O)C(C)(C)c1ccccc1Br ZINC000572918171 564615208 /nfs/dbraw/zinc/61/52/08/564615208.db2.gz NJXWXBGGORGCSC-UHFFFAOYSA-N 1 0 384.362 2.726 20 0 GFADRO C[C@H](NC(=O)NC[C@H]1CCCC[N@@H+]1C1CC1)c1ncc(Br)cn1 ZINC000520945621 564616350 /nfs/dbraw/zinc/61/63/50/564616350.db2.gz RIEKSJCEGIIWFC-SMDDNHRTSA-N 1 0 382.306 2.616 20 0 GFADRO CC[C@@H](C)[NH+]1CCN(C(=O)Cc2ccccc2I)CC1 ZINC000456539649 564616790 /nfs/dbraw/zinc/61/67/90/564616790.db2.gz YMIUMLXARPOBFA-CYBMUJFWSA-N 1 0 386.277 2.776 20 0 GFADRO C[C@]1(c2ccc(C[NH2+]Cc3ccc(Br)cc3)cc2)NC(=O)NC1=O ZINC000520963400 564616817 /nfs/dbraw/zinc/61/68/17/564616817.db2.gz HRYJSLIEAMLRHO-GOSISDBHSA-N 1 0 388.265 2.794 20 0 GFADRO CC(C)c1noc(CCC[NH2+]C[C@H](O)COc2ccc(Br)cc2)n1 ZINC000521029854 564617230 /nfs/dbraw/zinc/61/72/30/564617230.db2.gz WJYSIZOCYMMEHG-AWEZNQCLSA-N 1 0 398.301 2.918 20 0 GFADRO CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]CC(=O)Nc3ccc(Br)cc3)[C@@H]2C1 ZINC000573132864 564624606 /nfs/dbraw/zinc/62/46/06/564624606.db2.gz IJVIESVEVOOLCR-IAOVAPTHSA-N 1 0 394.313 2.624 20 0 GFADRO COCCO[C@@H]1COCC[C@H]1[NH2+]CC1=Cc2cc(Br)ccc2OC1 ZINC000485721905 564624656 /nfs/dbraw/zinc/62/46/56/564624656.db2.gz BQBLPQBVPRJTQH-SJLPKXTDSA-N 1 0 398.297 2.635 20 0 GFADRO O=C(NC1CC[NH+](C2CCC2)CC1)[C@@H]1Cc2cc(Br)ccc2O1 ZINC000456680577 564624861 /nfs/dbraw/zinc/62/48/61/564624861.db2.gz FEETUIZCTVEIHQ-KRWDZBQOSA-N 1 0 379.298 2.886 20 0 GFADRO O=C(NCc1ccc(Br)cc1Cl)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000485800658 564626163 /nfs/dbraw/zinc/62/61/63/564626163.db2.gz VPDWTCNJGBJOGY-SNVBAGLBSA-N 1 0 383.677 2.833 20 0 GFADRO COc1cc(C(=O)NCC[N@@H+]2CCC[C@H](C)C2)cc(Br)c1OC ZINC000550599897 564627000 /nfs/dbraw/zinc/62/70/00/564627000.db2.gz BTJDJUXXIRCLGV-LBPRGKRZSA-N 1 0 385.302 2.928 20 0 GFADRO COc1cc(OC)c(S(=O)(=O)N[C@H](C[NH3+])C2CCCCC2)cc1Cl ZINC000521435136 564627211 /nfs/dbraw/zinc/62/72/11/564627211.db2.gz PPWHNHOZRJMVDR-CYBMUJFWSA-N 1 0 376.906 2.543 20 0 GFADRO C[C@H]1CC[N@H+](C)CCN1S(=O)(=O)Cc1ccc(Cl)cc1Br ZINC000485864147 564628411 /nfs/dbraw/zinc/62/84/11/564628411.db2.gz KWDDZGHXZXZKDL-NSHDSACASA-N 1 0 395.750 2.958 20 0 GFADRO COCCN(CC[NH+](C)C)C(=O)CCOc1ccc(C)cc1Br ZINC000521484137 564628555 /nfs/dbraw/zinc/62/85/55/564628555.db2.gz IFHVIZGSTIRUGK-UHFFFAOYSA-N 1 0 387.318 2.563 20 0 GFADRO CC1CC[NH+](CCNC(=O)C(=O)NCCc2cc(Cl)cc(Cl)c2)CC1 ZINC000550654083 564628914 /nfs/dbraw/zinc/62/89/14/564628914.db2.gz KWDVGINHAIKZRU-UHFFFAOYSA-N 1 0 386.323 2.500 20 0 GFADRO C[N@@H+]1CC[C@](O)(CNC(=O)NCC2(c3c(Cl)cccc3Cl)CCC2)C1 ZINC000521535028 564629564 /nfs/dbraw/zinc/62/95/64/564629564.db2.gz BDCJZCRPQMLPIC-SFHVURJKSA-N 1 0 386.323 2.781 20 0 GFADRO C[C@H](C(=O)NC(C)(C)C)N(C)C[C@@H](O)COc1ccc(Cl)cc1Cl ZINC000485880740 564629528 /nfs/dbraw/zinc/62/95/28/564629528.db2.gz JSCWZNKZRDREJJ-DGCLKSJQSA-N 1 0 377.312 2.968 20 0 GFADRO CS(=O)(=O)N1CCC[N@@H+]([C@H](c2ccc(Cl)cc2)C2CCOCC2)CC1 ZINC000573263687 564630332 /nfs/dbraw/zinc/63/03/32/564630332.db2.gz GHBMRBBZCGAIGQ-GOSISDBHSA-N 1 0 386.945 2.775 20 0 GFADRO CSC[C@H](O)C[NH2+][C@H](c1ccc(C)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000521611666 564631242 /nfs/dbraw/zinc/63/12/42/564631242.db2.gz GPQCARMLRXXORH-IEBWSBKVSA-N 1 0 379.547 2.801 20 0 GFADRO COc1cc(C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)cc(Br)c1OC ZINC000550792959 564631710 /nfs/dbraw/zinc/63/17/10/564631710.db2.gz FSROKBDQTMITFT-FZMZJTMJSA-N 1 0 383.286 2.633 20 0 GFADRO CO[C@H]1CCN(C(=O)N[C@H]2C[C@H](c3ccc(Br)cc3)C2)[C@@H](C[NH3+])C1 ZINC000573309210 564633046 /nfs/dbraw/zinc/63/30/46/564633046.db2.gz UMRBOMDRZOUBKS-DZUCGIPZSA-N 1 0 396.329 2.843 20 0 GFADRO C[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000521676997 564634088 /nfs/dbraw/zinc/63/40/88/564634088.db2.gz FSWMGZPHFPECCA-LRDDRELGSA-N 1 0 386.323 2.628 20 0 GFADRO CC(C)[C@@H](CNC(=O)N[C@H]1CCc2sc(Cl)cc21)[NH+]1CCN(C)CC1 ZINC000573377655 564635889 /nfs/dbraw/zinc/63/58/89/564635889.db2.gz SJDDFGWJYNMDHU-LSDHHAIUSA-N 1 0 384.977 2.960 20 0 GFADRO CC(C)c1cc(Br)ccc1NC(=O)C(=O)NC[C@H](C)C[NH+](C)C ZINC000551041050 564635976 /nfs/dbraw/zinc/63/59/76/564635976.db2.gz ITKPROZIHOBIAK-LBPRGKRZSA-N 1 0 384.318 2.825 20 0 GFADRO CC[NH+]1CCN(CC(C)(C)NC(=O)c2ccc(F)c(Br)c2)CC1 ZINC000456900626 564637440 /nfs/dbraw/zinc/63/74/40/564637440.db2.gz NUYZTMPLASSBJF-UHFFFAOYSA-N 1 0 386.309 2.734 20 0 GFADRO CC[NH+]1CCN(CC(C)(C)NC(=O)c2cccc(F)c2Br)CC1 ZINC000456882216 564637550 /nfs/dbraw/zinc/63/75/50/564637550.db2.gz ORWGLLAQPJWJSU-UHFFFAOYSA-N 1 0 386.309 2.734 20 0 GFADRO CC[NH+]1CCN(CC(C)(C)NC(=O)Cc2cccc(Br)c2C)CC1 ZINC000456887342 564637946 /nfs/dbraw/zinc/63/79/46/564637946.db2.gz VJTLZSLIHKPJBF-UHFFFAOYSA-N 1 0 396.373 2.832 20 0 GFADRO C[NH+]1CCN(CCCNC(=O)CCc2nc3cc(Cl)ccc3s2)CC1 ZINC000521899930 564638689 /nfs/dbraw/zinc/63/86/89/564638689.db2.gz BYVJWTATMBEBHQ-UHFFFAOYSA-N 1 0 380.945 2.636 20 0 GFADRO CSC1(CNC(=O)NC[C@@]2(C)OCCc3sccc32)CC[NH+](C)CC1 ZINC000573471937 564639187 /nfs/dbraw/zinc/63/91/87/564639187.db2.gz CTZDDPSQIBODOB-QGZVFWFLSA-N 1 0 383.583 2.663 20 0 GFADRO O=C([C@@H]1CC(=O)Nc2ccc(Br)cc21)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000521949490 564639407 /nfs/dbraw/zinc/63/94/07/564639407.db2.gz UCZUCNWHWVMGRA-DZGCQCFKSA-N 1 0 392.297 2.572 20 0 GFADRO C[C@H]1C[N@H+](C)C[C@H]1C(=O)Nc1ccnn1Cc1cccc(Br)c1 ZINC000486186421 564642518 /nfs/dbraw/zinc/64/25/18/564642518.db2.gz BDMUFFJAPQIWMN-SWLSCSKDSA-N 1 0 377.286 2.830 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N[C@H]2C[N@H+](C3CC3)C[C@@H]2C)cc1Br ZINC000486207352 564643837 /nfs/dbraw/zinc/64/38/37/564643837.db2.gz SYJJBYFWZRVJAA-LRDDRELGSA-N 1 0 394.313 2.603 20 0 GFADRO C[C@H]1C[C@H]([NH2+]Cc2cc(C(F)(F)F)cc(S(C)(=O)=O)c2)CN1C1CC1 ZINC000551231526 564644020 /nfs/dbraw/zinc/64/40/20/564644020.db2.gz OWSKNWZOIHXGMA-FZMZJTMJSA-N 1 0 376.444 2.824 20 0 GFADRO CN(Cc1ccc(Cl)s1)C(=O)C[N@@H+]1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC000522096762 564644373 /nfs/dbraw/zinc/64/43/73/564644373.db2.gz UJJKGKBOBNOXFK-CQSZACIVSA-N 1 0 383.945 2.694 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N[C@@H]2CCC[N@H+](C)[C@@H]2C)cc1Br ZINC000486225983 564644551 /nfs/dbraw/zinc/64/45/51/564644551.db2.gz MJCNKSBOXCQWAJ-TZMCWYRMSA-N 1 0 382.302 2.603 20 0 GFADRO Brc1csc2cnc(N3CC[NH+](C[C@H]4CCOC4)CC3)nc12 ZINC000573578238 564644707 /nfs/dbraw/zinc/64/47/07/564644707.db2.gz KMMDBFVKFUMDHM-LLVKDONJSA-N 1 0 383.315 2.612 20 0 GFADRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)CCNC(=O)c2ccc(Br)cc2)C1 ZINC000457080468 564645557 /nfs/dbraw/zinc/64/55/57/564645557.db2.gz FZYYFGNDGCADMS-INIZCTEOSA-N 1 0 396.329 2.510 20 0 GFADRO CC(C)[N@H+](C)CCNC(=O)C1(c2ccc(Br)cc2)CCOCC1 ZINC000522183416 564646204 /nfs/dbraw/zinc/64/62/04/564646204.db2.gz HPQKKKWALAAOQO-UHFFFAOYSA-N 1 0 383.330 2.954 20 0 GFADRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)Cc2cc3c(cc2Br)OCCO3)C1 ZINC000457137146 564649441 /nfs/dbraw/zinc/64/94/41/564649441.db2.gz XATDTYIZLWCDKA-CQSZACIVSA-N 1 0 397.313 2.704 20 0 GFADRO COc1ccc(CNC(=O)N2CCC(C[NH+](C)C)CC2)cc1Br ZINC000522450652 564651236 /nfs/dbraw/zinc/65/12/36/564651236.db2.gz DZPPTEQUINTOLO-UHFFFAOYSA-N 1 0 384.318 2.941 20 0 GFADRO CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)Nc2cc(Br)c(C)cc2C)C1 ZINC000486402501 564651733 /nfs/dbraw/zinc/65/17/33/564651733.db2.gz FLRNPLCEMVUIGK-AWEZNQCLSA-N 1 0 396.329 2.947 20 0 GFADRO C[C@@H](CNC(=O)C(=O)N(C)Cc1cc(Cl)cc(Cl)c1)C[NH+]1CCCC1 ZINC000551504814 564652856 /nfs/dbraw/zinc/65/28/56/564652856.db2.gz HLJQXHCGESBLCA-ZDUSSCGKSA-N 1 0 386.323 2.800 20 0 GFADRO C[NH+](C)CC(C)(C)NC(=O)CCOc1cccc(I)c1 ZINC000457252060 564653277 /nfs/dbraw/zinc/65/32/77/564653277.db2.gz VZWPLCMLGAOJGU-UHFFFAOYSA-N 1 0 390.265 2.517 20 0 GFADRO O=C(N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1=O)N[C@@H]1CCCC[NH2+]C1 ZINC000573786306 564654333 /nfs/dbraw/zinc/65/43/33/564654333.db2.gz SZMANRHBCXCVQI-TZMCWYRMSA-N 1 0 385.295 2.540 20 0 GFADRO O=C(N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1=O)N[C@H]1CCCC[NH2+]C1 ZINC000573786304 564654546 /nfs/dbraw/zinc/65/45/46/564654546.db2.gz SZMANRHBCXCVQI-JSGCOSHPSA-N 1 0 385.295 2.540 20 0 GFADRO C[N@@H+]1CCC[C@@H](CCNC(=O)NCc2nc3c(cccc3Br)[nH]2)C1 ZINC000573804168 564655028 /nfs/dbraw/zinc/65/50/28/564655028.db2.gz OIHPQMTUMYTFEG-LBPRGKRZSA-N 1 0 394.317 2.857 20 0 GFADRO CS(=O)(=O)N[C@H]1CCC[C@@H]1C[NH2+]Cc1c(F)cccc1OC(F)(F)F ZINC000551597263 564657398 /nfs/dbraw/zinc/65/73/98/564657398.db2.gz PEHZRQCDFGPEKX-MFKMUULPSA-N 1 0 384.395 2.532 20 0 GFADRO C[C@H]1CCN(C(=O)c2ccc(F)cc2I)[C@@H](C)[C@H]1[NH3+] ZINC000457360482 564658595 /nfs/dbraw/zinc/65/85/95/564658595.db2.gz FJCHCFSGEUUTHN-RVBZMBCESA-N 1 0 376.213 2.628 20 0 GFADRO C[C@@H](NC(=O)NCCC[N@@H+]1CCCC[C@H]1C)c1ncc(Br)cn1 ZINC000457497521 564663718 /nfs/dbraw/zinc/66/37/18/564663718.db2.gz FOBWHWLJNFEEJD-CHWSQXEVSA-N 1 0 384.322 2.864 20 0 GFADRO CC(C)[N@@H+]1CC[C@H](CNC(=O)[C@H](C)NC(=O)c2cccc(Cl)c2Cl)C1 ZINC000523332784 564664806 /nfs/dbraw/zinc/66/48/06/564664806.db2.gz IICXLRJMIFYKKG-QWHCGFSZSA-N 1 0 386.323 2.958 20 0 GFADRO Cc1cc(C(=O)Nc2cc(Br)ccc2N(C)CC[NH+](C)C)ncn1 ZINC000574075086 564667015 /nfs/dbraw/zinc/66/70/15/564667015.db2.gz NGDPONNHHGPWNN-UHFFFAOYSA-N 1 0 392.301 2.798 20 0 GFADRO C[C@H]1C[C@H](NC(=O)c2cn(Cc3ccc(Cl)cc3Cl)nn2)CC[N@@H+]1C ZINC000457611760 564667070 /nfs/dbraw/zinc/66/70/70/564667070.db2.gz VHXJKMRGBAXWHV-SMDDNHRTSA-N 1 0 382.295 2.846 20 0 GFADRO CC(C)[NH+]1CCC(N2CCN(C(=O)c3cc(Br)co3)CC2)CC1 ZINC000457669599 564668079 /nfs/dbraw/zinc/66/80/79/564668079.db2.gz NMVLANCVAZAXAA-UHFFFAOYSA-N 1 0 384.318 2.673 20 0 GFADRO CS[C@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)c(C)c2)C[C@H]1[NH+](C)C ZINC000574121351 564668986 /nfs/dbraw/zinc/66/89/86/564668986.db2.gz DCSYPZIQPBDCFY-KGLIPLIRSA-N 1 0 382.473 2.680 20 0 GFADRO CCCn1cc(C[NH2+]CCc2ccc(S(=O)(=O)N(CC)CC)s2)cn1 ZINC000523936780 564674261 /nfs/dbraw/zinc/67/42/61/564674261.db2.gz JQNXRTQABJDHQJ-UHFFFAOYSA-N 1 0 384.571 2.717 20 0 GFADRO C[C@H](Cc1ccc(Br)cc1)NC(=O)NC[C@H]1CCCC[N@@H+]1CCO ZINC000457861736 564675914 /nfs/dbraw/zinc/67/59/14/564675914.db2.gz CMXOMIXOCBTBDR-RHSMWYFYSA-N 1 0 398.345 2.526 20 0 GFADRO O=C(NC[C@H]1C[NH2+]CCO1)Nc1ccc(C(F)(F)F)c(Br)c1 ZINC000574502111 564676411 /nfs/dbraw/zinc/67/64/11/564676411.db2.gz MNGGYZQWDWBZLR-SECBINFHSA-N 1 0 382.180 2.578 20 0 GFADRO OC[C@H](C[NH2+]C[C@@H](O)COc1cc(Cl)ccc1Cl)Cc1cccnc1 ZINC000574519346 564677123 /nfs/dbraw/zinc/67/71/23/564677123.db2.gz OQKWSPQRNWRHGZ-GOEBONIOSA-N 1 0 385.291 2.569 20 0 GFADRO Cc1cc(Br)cc(C)c1S(=O)(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000524331262 564679906 /nfs/dbraw/zinc/67/99/06/564679906.db2.gz AUQZTYFNDAFKPG-GFCCVEGCSA-N 1 0 375.332 2.827 20 0 GFADRO COc1cc(C)c(Br)cc1S(=O)(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000574637177 564682316 /nfs/dbraw/zinc/68/23/16/564682316.db2.gz FDYUOEAWXWIDBC-VXGBXAGGSA-N 1 0 391.331 2.562 20 0 GFADRO COc1cc(OC)cc(OCCC[NH2+]Cc2c(Br)cnn2C)c1 ZINC000487322101 564682585 /nfs/dbraw/zinc/68/25/85/564682585.db2.gz LYAIDRIBVSAGEZ-UHFFFAOYSA-N 1 0 384.274 2.759 20 0 GFADRO CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+]C[C@H](O)Cc2ccccc2C(F)(F)F)C1 ZINC000574632146 564682806 /nfs/dbraw/zinc/68/28/06/564682806.db2.gz ONAFVVJPIGNTSK-RRFJBIMHSA-N 1 0 379.444 2.554 20 0 GFADRO C[NH+](C)CCOc1cccc(CNS(=O)(=O)c2cc(Cl)ccc2F)c1 ZINC000574657658 564683226 /nfs/dbraw/zinc/68/32/26/564683226.db2.gz DKAGBVSVPQHFLG-UHFFFAOYSA-N 1 0 386.876 2.898 20 0 GFADRO CSCCCNC(=O)NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000524563726 564683284 /nfs/dbraw/zinc/68/32/84/564683284.db2.gz DXSBXRNFFHHWMC-UHFFFAOYSA-N 1 0 384.977 2.904 20 0 GFADRO C[N@@H+]1CC[C@H](Nc2cnc(N3CCOCC3)c(Br)c2)[C@H]2CCC[C@H]21 ZINC000552257745 564683796 /nfs/dbraw/zinc/68/37/96/564683796.db2.gz UXJKCZHEGGHJIM-HYVNUMGLSA-N 1 0 395.345 2.965 20 0 GFADRO CCNC(=O)[C@@H]([NH2+][C@H](C)CC(=O)Nc1cccc(Br)c1)C(C)C ZINC000552314170 564685097 /nfs/dbraw/zinc/68/50/97/564685097.db2.gz IZVZEWAFDVVODP-WBMJQRKESA-N 1 0 384.318 2.917 20 0 GFADRO C[C@@H](CNC(=O)N(CCO)Cc1cccc(Br)c1)C[NH+]1CCCC1 ZINC000487397716 564685957 /nfs/dbraw/zinc/68/59/57/564685957.db2.gz OUAOZTKSNOYVMH-HNNXBMFYSA-N 1 0 398.345 2.685 20 0 GFADRO C[C@@H]([NH2+]CCCNS(=O)(=O)c1ccccc1Br)C1CCC1 ZINC000552318228 564686227 /nfs/dbraw/zinc/68/62/27/564686227.db2.gz TZRNIDPKQIHKGM-GFCCVEGCSA-N 1 0 375.332 2.896 20 0 GFADRO C[C@H]([NH2+]C[C@H]1CCCCN1S(C)(=O)=O)c1sccc1Br ZINC000552332328 564686492 /nfs/dbraw/zinc/68/64/92/564686492.db2.gz MBSZCKSZPSNTAP-WDEREUQCSA-N 1 0 381.361 2.975 20 0 GFADRO C[C@@H](CNC(=O)N[C@@H]1CC[N@@H+](C2CC2)C1)Oc1ccc(Br)cc1 ZINC000524787072 564686980 /nfs/dbraw/zinc/68/69/80/564686980.db2.gz SNBUCNBOHZYLHI-GXTWGEPZSA-N 1 0 382.302 2.752 20 0 GFADRO Cc1c(I)cccc1C(=O)N1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000552422908 564690655 /nfs/dbraw/zinc/69/06/55/564690655.db2.gz ILDPPTVTJKDIEG-QWHCGFSZSA-N 1 0 384.261 2.908 20 0 GFADRO COc1ccc(Br)cc1CNC(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000458149756 564691117 /nfs/dbraw/zinc/69/11/17/564691117.db2.gz WNPBSZBMXNVEGP-CYBMUJFWSA-N 1 0 384.318 2.989 20 0 GFADRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)c1sccc1S(=O)(=O)NC1CCCCCC1 ZINC000575047473 564691517 /nfs/dbraw/zinc/69/15/17/564691517.db2.gz SBQFSMSLEJJWPT-CHWSQXEVSA-N 1 0 387.571 2.605 20 0 GFADRO CCS(=O)(=O)N1CCC(C[NH2+]Cc2cccc(F)c2Br)CC1 ZINC000575130494 564692376 /nfs/dbraw/zinc/69/23/76/564692376.db2.gz OMHDCZKWMGNCRZ-UHFFFAOYSA-N 1 0 393.322 2.740 20 0 GFADRO CS(=O)(=O)N1CC[C@@H]([NH2+][C@@H](c2ccc(Br)cc2F)C2CC2)C1 ZINC000575130069 564692656 /nfs/dbraw/zinc/69/26/56/564692656.db2.gz JIRXQQCPCOAISL-IUODEOHRSA-N 1 0 391.306 2.663 20 0 GFADRO CC[C@H]1[NH2+]CC[C@@H]1C(=O)N1CCN(Cc2cc(Br)ccc2F)CC1 ZINC000575300731 564695551 /nfs/dbraw/zinc/69/55/51/564695551.db2.gz YBRLRDVXCHGVCY-DOTOQJQBSA-N 1 0 398.320 2.621 20 0 GFADRO C[N@@H+]1CCC[C@@H](CCNC(=O)Cc2ccc(I)cc2)C1 ZINC000458238032 564695498 /nfs/dbraw/zinc/69/54/98/564695498.db2.gz ZJGHTJAUCJDPAO-AWEZNQCLSA-N 1 0 386.277 2.682 20 0 GFADRO C[NH+](C)CCCCC(=O)NCCc1ccc(I)s1 ZINC000552576235 564695750 /nfs/dbraw/zinc/69/57/50/564695750.db2.gz YJMHHZZKNACKRO-UHFFFAOYSA-N 1 0 380.295 2.743 20 0 GFADRO C[C@H](CNC(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl)C[NH+](C)C ZINC000552578330 564696021 /nfs/dbraw/zinc/69/60/21/564696021.db2.gz DQIIALLBWWYOMM-WBMJQRKESA-N 1 0 386.323 2.912 20 0 GFADRO Cc1cccc(Br)c1C(=O)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000575378201 564697734 /nfs/dbraw/zinc/69/77/34/564697734.db2.gz HVDKMJVXPLZHMH-UHFFFAOYSA-N 1 0 380.330 2.611 20 0 GFADRO C[C@@H]1CC[N@H+](CCNC(=O)[C@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)C1 ZINC000525293064 564698078 /nfs/dbraw/zinc/69/80/78/564698078.db2.gz TYLYPYCABYKMCM-TZMCWYRMSA-N 1 0 384.307 2.804 20 0 GFADRO C[C@H]1CC[N@H+](CCNC(=O)c2ccn(-c3cccc(Br)c3)n2)C1 ZINC000525292581 564698503 /nfs/dbraw/zinc/69/85/03/564698503.db2.gz ZKJRBPSUDWKTQE-ZDUSSCGKSA-N 1 0 377.286 2.706 20 0 GFADRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)Cn1cc(Br)cn1 ZINC000525382275 564699879 /nfs/dbraw/zinc/69/98/79/564699879.db2.gz OEAXXMMHYOETEN-HNNXBMFYSA-N 1 0 391.313 2.769 20 0 GFADRO C[C@@H](NC(=O)NCC1(O)CC[NH+](C)CC1)c1cc(F)c(Cl)cc1Cl ZINC000525447940 564701417 /nfs/dbraw/zinc/70/14/17/564701417.db2.gz GNYBBRDMLDZGNQ-SNVBAGLBSA-N 1 0 378.275 2.949 20 0 GFADRO CC[C@H](NC(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1)[C@@H](O)C(F)F ZINC000458446282 564702501 /nfs/dbraw/zinc/70/25/01/564702501.db2.gz ZTTMYRPZKNWSDF-NZBPQXDJSA-N 1 0 375.485 2.835 20 0 GFADRO Cc1cnccc1CC[NH2+]C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000575742470 564703168 /nfs/dbraw/zinc/70/31/68/564703168.db2.gz GZWPFXBNGLOTEV-INIZCTEOSA-N 1 0 383.261 2.864 20 0 GFADRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)c1c(F)cccc1I ZINC000576028396 564704692 /nfs/dbraw/zinc/70/46/92/564704692.db2.gz SXEOGGNOKQTWIZ-CABZTGNLSA-N 1 0 376.213 2.678 20 0 GFADRO COCCOc1ccc(Br)cc1NC(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000576010361 564704952 /nfs/dbraw/zinc/70/49/52/564704952.db2.gz JUSUDLKJYPLSED-CHWSQXEVSA-N 1 0 398.301 2.548 20 0 GFADRO CC[NH+]1CCN([C@@H](C)CNc2ccc(Br)c(C(F)(F)F)n2)CC1 ZINC000552940751 564705074 /nfs/dbraw/zinc/70/50/74/564705074.db2.gz IPCFVYBVRXFTBU-NSHDSACASA-N 1 0 395.267 3.301 20 0 GFADRO C[C@H]1COC(C)(C)C[N@@H+]1C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000488194699 564706213 /nfs/dbraw/zinc/70/62/13/564706213.db2.gz DXNTYQRDOCWJKR-FZMZJTMJSA-N 1 0 376.266 2.827 20 0 GFADRO CN1CCO[C@H]([C@@H](NC(=O)N2C[C@@H]3C[C@H]2CS3)c2ccc(Cl)cc2)C1 ZINC000458594302 564707438 /nfs/dbraw/zinc/70/74/38/564707438.db2.gz BHKDLXFGSYBUDJ-QAETUUGQSA-N 1 0 381.929 2.611 20 0 GFADRO CCCC[N@H+](C)C[C@@H](C)NC(=O)CSc1nnc(-c2cccs2)n1C ZINC000576201865 564707544 /nfs/dbraw/zinc/70/75/44/564707544.db2.gz SESGFJJZHYVAJJ-CYBMUJFWSA-N 1 0 381.571 2.872 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)NCCNc2ncc(C(F)(F)F)cc2Cl)CC[NH2+]1 ZINC000576211296 564707602 /nfs/dbraw/zinc/70/76/02/564707602.db2.gz PMQOTNLOKDNHEL-KOLCDFICSA-N 1 0 379.814 2.605 20 0 GFADRO CN(C[C@@H]1CCC[N@H+](C)C1)c1c(Br)cccc1S(C)(=O)=O ZINC000553100738 564709452 /nfs/dbraw/zinc/70/94/52/564709452.db2.gz VTWGDSVSJXZXFL-GFCCVEGCSA-N 1 0 375.332 2.631 20 0 GFADRO C[C@H]1C[NH2+]CC[C@H]1NS(=O)(=O)Cc1ccc(Cl)cc1Br ZINC000576279183 564710769 /nfs/dbraw/zinc/71/07/69/564710769.db2.gz LJAWZCOOYKMCMZ-TVQRCGJNSA-N 1 0 381.723 2.520 20 0 GFADRO C[N@@H+]1CC[C@]2(CCN(C(=O)NCCc3ccc(F)c(Br)c3)C2)C1 ZINC000488420823 564710840 /nfs/dbraw/zinc/71/08/40/564710840.db2.gz MJDXOOMHMZGQJL-KRWDZBQOSA-N 1 0 384.293 2.868 20 0 GFADRO O=S(=O)([N-]c1c[nH]cn1)c1ccc(OC(F)(F)F)cc1Br ZINC000576273850 564711336 /nfs/dbraw/zinc/71/13/36/564711336.db2.gz IJEUBMAYGZROJI-UHFFFAOYSA-N 1 0 386.149 2.872 20 0 GFADRO COc1cc(Br)ccc1CNC(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000488499522 564712926 /nfs/dbraw/zinc/71/29/26/564712926.db2.gz DOFWBVWCQKPNNB-LSDHHAIUSA-N 1 0 382.302 2.884 20 0 GFADRO COc1cc(Br)ccc1CNC(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000488499517 564713165 /nfs/dbraw/zinc/71/31/65/564713165.db2.gz DOFWBVWCQKPNNB-GJZGRUSLSA-N 1 0 382.302 2.884 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(C(=O)N[C@@H](c3cncc(Br)c3)C3CC3)C[C@@H]21 ZINC000458763598 564717848 /nfs/dbraw/zinc/71/78/48/564717848.db2.gz NSXUGYWHACGHMW-UHOFOFEASA-N 1 0 379.302 2.641 20 0 GFADRO CCN(CCC[NH+](C)C)C(=O)c1ccc(F)c(I)c1 ZINC000526067594 564718795 /nfs/dbraw/zinc/71/87/95/564718795.db2.gz JDIDZKGRYWDBAY-UHFFFAOYSA-N 1 0 378.229 2.844 20 0 GFADRO C[C@@H]1NC(=O)N(CC[N@H+](C)[C@H]2CCSc3ccc(Br)cc32)C1=O ZINC000576802284 564719859 /nfs/dbraw/zinc/71/98/59/564719859.db2.gz QJKWIERNSIAPMC-GWCFXTLKSA-N 1 0 398.326 2.858 20 0 GFADRO C[C@@H](NC(=O)N1CCO[C@H](C[NH+](C)C)C1)c1ccc(F)c(Br)c1 ZINC000458845144 564720352 /nfs/dbraw/zinc/72/03/52/564720352.db2.gz ITPOTTGMPGFKQX-DGCLKSJQSA-N 1 0 388.281 2.621 20 0 GFADRO CN(CC(=O)Nc1ccc(Br)cn1)C[C@H](C[NH3+])c1ccc(F)cc1 ZINC000576827746 564720364 /nfs/dbraw/zinc/72/03/64/564720364.db2.gz ZXLZLTWDPVHZHV-ZDUSSCGKSA-N 1 0 395.276 2.596 20 0 GFADRO CSc1nnc(CNC(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC000526109539 564720765 /nfs/dbraw/zinc/72/07/65/564720765.db2.gz OYHVWHSPNIZDEH-AWEZNQCLSA-N 1 0 377.539 2.676 20 0 GFADRO CCCN(CC1CC1)S(=O)(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000488793497 564720794 /nfs/dbraw/zinc/72/07/94/564720794.db2.gz DFOXLJAJFPZRNF-UHFFFAOYSA-N 1 0 385.599 2.917 20 0 GFADRO COCCN(Cc1ccc(Br)s1)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC000577003125 564722808 /nfs/dbraw/zinc/72/28/08/564722808.db2.gz PFRLKMMBAKBARN-GFCCVEGCSA-N 1 0 375.332 2.827 20 0 GFADRO CSc1ccc([C@H](CNC(=O)N2CCSC[C@@H]2CCO)[NH+](C)C)cc1 ZINC000458909949 564722996 /nfs/dbraw/zinc/72/29/96/564722996.db2.gz YXNMUCODNGRGIZ-RDJZCZTQSA-N 1 0 383.583 2.521 20 0 GFADRO O=C(NCCCn1cc(Br)cn1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000577123116 564725242 /nfs/dbraw/zinc/72/52/42/564725242.db2.gz CGODITNQWAWGKM-INIZCTEOSA-N 1 0 391.313 2.674 20 0 GFADRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1S(=O)(=O)Cc1ccccc1Br ZINC000553558382 564726731 /nfs/dbraw/zinc/72/67/31/564726731.db2.gz WVFOGGNNHBOOAJ-CJNGLKHVSA-N 1 0 387.343 2.838 20 0 GFADRO C[C@H](O)C[N@@H+]1CCN(C(=O)NC/C=C\c2ccc(Br)cc2)[C@H](C)C1 ZINC000458981808 564727631 /nfs/dbraw/zinc/72/76/31/564727631.db2.gz TWBXYBUPVTXWTE-OVNWPICBSA-N 1 0 396.329 2.559 20 0 GFADRO C[N@H+](CCO)C1CCN(C(=O)NC/C=C/c2ccc(Br)cc2)CC1 ZINC000458981431 564727641 /nfs/dbraw/zinc/72/76/41/564727641.db2.gz SUDXZDKTEDITLJ-NSCUHMNNSA-N 1 0 396.329 2.560 20 0 GFADRO C[C@H](CNC(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1)Oc1ccccc1Br ZINC000577208128 564729124 /nfs/dbraw/zinc/72/91/24/564729124.db2.gz JJKYTHLVAPCVHD-VNHYZAJKSA-N 1 0 382.302 2.610 20 0 GFADRO O=C(Cc1ccc(I)cc1)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000489141647 564731300 /nfs/dbraw/zinc/73/13/00/564731300.db2.gz PALKGGLTECUUST-GJZGRUSLSA-N 1 0 384.261 2.577 20 0 GFADRO O=C(c1ccccc1-n1cc(Br)cn1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000577260782 564731858 /nfs/dbraw/zinc/73/18/58/564731858.db2.gz VMXHWVYBLDUHIH-HNNXBMFYSA-N 1 0 389.297 2.945 20 0 GFADRO Cc1cc(CNC(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)ccc1Br ZINC000459188547 564735760 /nfs/dbraw/zinc/73/57/60/564735760.db2.gz VWHPVEUFJYGPEU-MRXNPFEDSA-N 1 0 396.329 2.621 20 0 GFADRO CC(C)[NH2+]C1CCN(C(=O)NCc2nc3c(cccc3Br)[nH]2)CC1 ZINC000459212813 564736215 /nfs/dbraw/zinc/73/62/15/564736215.db2.gz MUWITJDQUOTYMG-UHFFFAOYSA-N 1 0 394.317 2.997 20 0 GFADRO C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000553796348 564736923 /nfs/dbraw/zinc/73/69/23/564736923.db2.gz NSYLLWQXSLYILX-KPZWWZAWSA-N 1 0 384.307 2.666 20 0 GFADRO CC(C)[C@H]1CN(C(=O)c2ccc(F)c(I)c2)CC[N@@H+]1C ZINC000489355898 564737158 /nfs/dbraw/zinc/73/71/58/564737158.db2.gz UKNPPVMAGREDBX-CQSZACIVSA-N 1 0 390.240 2.843 20 0 GFADRO CSc1nnc(CNC(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2)s1 ZINC000527351466 564740906 /nfs/dbraw/zinc/74/09/06/564740906.db2.gz RIGZQMYEIBGIRB-UHFFFAOYSA-N 1 0 383.518 2.673 20 0 GFADRO CCn1nncc1CN1CCC(C(=O)Nc2ccccc2Br)CC1 ZINC000459373214 564741202 /nfs/dbraw/zinc/74/12/02/564741202.db2.gz ROAZPBYYJXGBJJ-UHFFFAOYSA-N 1 0 392.301 2.911 20 0 GFADRO COCC[N@H+](C[C@H](O)COc1cc(Cl)ccc1Cl)[C@@H]1CCO[C@@H]1C ZINC000489500488 564741764 /nfs/dbraw/zinc/74/17/64/564741764.db2.gz UWZURGKBZARLJL-IVMMDQJWSA-N 1 0 378.296 2.859 20 0 GFADRO COCC[N@@H+]1CC[C@H](NC(=O)c2ccc(Br)c3cc(C)oc32)C1 ZINC000527487373 564743708 /nfs/dbraw/zinc/74/37/08/564743708.db2.gz IDJICQOCDGJWAH-LBPRGKRZSA-N 1 0 381.270 2.954 20 0 GFADRO CC[C@H]1Cc2c(Br)cccc2CN1CCN1C(=O)N[C@@H](C)C1=O ZINC000459432576 564745112 /nfs/dbraw/zinc/74/51/12/564745112.db2.gz SAULUPCHORACAY-AAEUAGOBSA-N 1 0 380.286 2.526 20 0 GFADRO CC(C)[C@@](C)([NH2+]Cc1ccc(I)cc1Cl)C(N)=O ZINC000459478651 564745923 /nfs/dbraw/zinc/74/59/23/564745923.db2.gz JOOWEXWSTDVOPG-CYBMUJFWSA-N 1 0 380.657 2.934 20 0 GFADRO CCOc1cc(C[NH2+]CCN2CCOCC2(C)C)cc(Br)c1O ZINC000459462396 564746202 /nfs/dbraw/zinc/74/62/02/564746202.db2.gz JNERSFWZEPEFIA-UHFFFAOYSA-N 1 0 387.318 2.754 20 0 GFADRO Cc1cc(NC(=O)CC[NH2+]CCCc2ccc(Br)cc2F)no1 ZINC000579344486 564747060 /nfs/dbraw/zinc/74/70/60/564747060.db2.gz FIEASOOHNZAJKQ-UHFFFAOYSA-N 1 0 384.249 3.436 20 0 GFADRO O=C(CC[N@@H+](CCO)Cc1cc(Br)ccc1F)N1CCCCC1 ZINC000489645590 564747601 /nfs/dbraw/zinc/74/76/01/564747601.db2.gz DYLBUEQOBQFOPG-UHFFFAOYSA-N 1 0 387.293 2.785 20 0 GFADRO CCOC1CC(C[NH2+]Cc2cccc(O)c2Br)(N2CCOCC2)C1 ZINC000459515591 564749725 /nfs/dbraw/zinc/74/97/25/564749725.db2.gz UWNLDANEZGCVLP-UHFFFAOYSA-N 1 0 399.329 2.514 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCCN(S(=O)(=O)N(C)C)C1)c1ccc(Cl)cc1Cl ZINC000554090422 564750087 /nfs/dbraw/zinc/75/00/87/564750087.db2.gz QPVFSSOPDABQKK-WCQYABFASA-N 1 0 380.341 2.915 20 0 GFADRO Cc1c(Br)cccc1C[C@H](CO)C[NH2+]Cc1cn2cccnc2n1 ZINC000459560486 564750536 /nfs/dbraw/zinc/75/05/36/564750536.db2.gz AKYUKZJQXAIAFR-AWEZNQCLSA-N 1 0 389.297 2.741 20 0 GFADRO O=C1C[C@@H]([NH2+]Cc2c[nH]nc2-c2ccc(Br)s2)CN1C1CC1 ZINC000527670489 564754317 /nfs/dbraw/zinc/75/43/17/564754317.db2.gz NZKREKZOWCGVAK-SNVBAGLBSA-N 1 0 381.299 2.754 20 0 GFADRO COc1cc(C[NH2+]C[C@H]2CCC[C@H]2NS(C)(=O)=O)cc(C(F)(F)F)c1 ZINC000527677114 564755431 /nfs/dbraw/zinc/75/54/31/564755431.db2.gz YBQCLXPXIUNYJD-IUODEOHRSA-N 1 0 380.432 2.522 20 0 GFADRO CC(=O)NCC[C@H]1CCC[N@H+](CC(=O)Nc2ccc(Br)cc2)C1 ZINC000554294705 564756862 /nfs/dbraw/zinc/75/68/62/564756862.db2.gz SUTPDSFDHWAJRJ-CQSZACIVSA-N 1 0 382.302 2.626 20 0 GFADRO CC(C)[C@H](CO)C[NH2+][C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000580416116 564757619 /nfs/dbraw/zinc/75/76/19/564757619.db2.gz XJWIJAMJMMGNHP-SMDDNHRTSA-N 1 0 376.316 2.522 20 0 GFADRO CC(C)Sc1cc(Br)ccc1C[NH2+]C[C@H](O)Cn1ccnn1 ZINC000459708197 564757716 /nfs/dbraw/zinc/75/77/16/564757716.db2.gz XFHAINLNYYVHCB-AWEZNQCLSA-N 1 0 385.331 2.692 20 0 GFADRO FC(F)(F)c1cc(Br)ccc1CN1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000489977745 564758238 /nfs/dbraw/zinc/75/82/38/564758238.db2.gz KRANMNRELLVXOD-AWEZNQCLSA-N 1 0 392.263 2.947 20 0 GFADRO COC[C@@H](NC[C@@H]1CCCCN1S(C)(=O)=O)c1cccc(Cl)c1F ZINC000554376439 564758240 /nfs/dbraw/zinc/75/82/40/564758240.db2.gz PROLDTOKSYSGHW-SWLSCSKDSA-N 1 0 378.897 2.570 20 0 GFADRO CC[C@@H]1CC[C@H]1[NH2+]C[C@@H](O)COc1ccc(I)cc1 ZINC000554361329 564758271 /nfs/dbraw/zinc/75/82/71/564758271.db2.gz URNGTWBBJAPHAO-UXIGCNINSA-N 1 0 375.250 2.809 20 0 GFADRO COc1cc(C[NH2+]C[C@@H](O)[C@@H]2CCCO2)cc(Br)c1OC(F)F ZINC000527759343 564759263 /nfs/dbraw/zinc/75/92/63/564759263.db2.gz SXQZHWXGBMEWRN-NEPJUHHUSA-N 1 0 396.228 2.689 20 0 GFADRO OC[C@]1([NH2+]Cc2cc(Br)cc3c2OCC3)COc2ccccc2C1 ZINC000527769917 564760293 /nfs/dbraw/zinc/76/02/93/564760293.db2.gz SQGTTXPEKOJPPG-IBGZPJMESA-N 1 0 390.277 2.840 20 0 GFADRO COc1ccc(Br)c(C[NH2+][C@]2(CO)COc3ccccc3C2)c1 ZINC000527771020 564760302 /nfs/dbraw/zinc/76/03/02/564760302.db2.gz YVXWEUIFLPCINV-GOSISDBHSA-N 1 0 378.266 2.914 20 0 GFADRO OC[C@]1([NH2+]Cc2ccc(I)cc2)COc2ccccc2C1 ZINC000527770445 564760426 /nfs/dbraw/zinc/76/04/26/564760426.db2.gz WPRZEYMLWFPBOV-KRWDZBQOSA-N 1 0 395.240 2.747 20 0 GFADRO COc1ccc(C[N@@H+]2CCCN(C(=O)[C@@H]3C[C@@]3(C)Br)CC2)cc1 ZINC000527795379 564761788 /nfs/dbraw/zinc/76/17/88/564761788.db2.gz MVKCBANUJNLICR-FUHWJXTLSA-N 1 0 381.314 2.903 20 0 GFADRO C[C@@H](CNS(=O)(=O)Cc1ccc(Cl)cc1Br)C[NH+](C)C ZINC000490064281 564762040 /nfs/dbraw/zinc/76/20/40/564762040.db2.gz PIECSVHJUWVOHL-JTQLQIEISA-N 1 0 383.739 2.720 20 0 GFADRO Cc1csc(C(=O)NC[C@]2(C)CCC[NH2+]C2)c1I ZINC000580768701 564772755 /nfs/dbraw/zinc/77/27/55/564772755.db2.gz SVHVCOYAJZOWMR-CYBMUJFWSA-N 1 0 378.279 2.781 20 0 GFADRO O=C(NCc1cc(Br)c2c(c1)OCCO2)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000490175545 564765323 /nfs/dbraw/zinc/76/53/23/564765323.db2.gz FKIQNERCGHXCEN-CFVMTHIKSA-N 1 0 395.297 2.757 20 0 GFADRO O=S(=O)(CCOCC(F)(F)F)NCC[NH+]1CCC2(CCCCC2)CC1 ZINC000580602427 564766070 /nfs/dbraw/zinc/76/60/70/564766070.db2.gz GGZYXVQNVSDNRM-UHFFFAOYSA-N 1 0 386.480 2.531 20 0 GFADRO CC(C)C[N@@H+]1CC[C@@H](C[NH2+]C[C@H](O)COc2cccc(Br)c2)C1 ZINC000580641167 564767866 /nfs/dbraw/zinc/76/78/66/564767866.db2.gz KZAFECOZZBBHQJ-RDJZCZTQSA-N 1 0 385.346 2.756 20 0 GFADRO CC(C)C[N@@H+]1CC[C@@H](C[NH2+]C[C@@H](O)COc2cccc(Br)c2)C1 ZINC000580641163 564767963 /nfs/dbraw/zinc/76/79/63/564767963.db2.gz KZAFECOZZBBHQJ-DOTOQJQBSA-N 1 0 385.346 2.756 20 0 GFADRO CCC[N@@H+]1CCC[C@H]1CNC(=O)NCc1nc2c(cccc2Br)[nH]1 ZINC000580759605 564773110 /nfs/dbraw/zinc/77/31/10/564773110.db2.gz NRJJFQNOQQDZKT-LBPRGKRZSA-N 1 0 394.317 2.999 20 0 GFADRO COCC[NH2+]C1CCN(C(=O)Nc2ccc(Br)c(OC)c2)CC1 ZINC000580778584 564773918 /nfs/dbraw/zinc/77/39/18/564773918.db2.gz CKPUSCUNFIUITM-UHFFFAOYSA-N 1 0 386.290 2.690 20 0 GFADRO CS[C@@H]1CN(CC(=O)Nc2ccc(Br)cc2)C[C@H]1[NH+]1CCCC1 ZINC000460348148 564774312 /nfs/dbraw/zinc/77/43/12/564774312.db2.gz OKPAKQZCWMVMHO-HZPDHXFCSA-N 1 0 398.370 2.899 20 0 GFADRO CSC1(C[NH2+]CC(=O)Nc2ccc(I)cc2)CC1 ZINC000554863110 564775501 /nfs/dbraw/zinc/77/55/01/564775501.db2.gz AMFAMJUTKVOVGN-UHFFFAOYSA-N 1 0 376.263 2.715 20 0 GFADRO [NH3+]CC[C@H]1CCCCN1C(=O)c1ncc(Br)cc1Br ZINC000580946973 564781599 /nfs/dbraw/zinc/78/15/99/564781599.db2.gz QERNADYLXLVQNJ-SNVBAGLBSA-N 1 0 391.107 2.950 20 0 GFADRO Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)N1CCC2(CCC[N@H+]2C)CC1 ZINC000555072722 564782646 /nfs/dbraw/zinc/78/26/46/564782646.db2.gz JZOCDYSTHXBTQZ-UHFFFAOYSA-N 1 0 378.826 2.951 20 0 GFADRO C[C@@H](CCNC(=O)N(C)CCn1cc(Br)cn1)[NH+]1CCCCC1 ZINC000460876142 564782807 /nfs/dbraw/zinc/78/28/07/564782807.db2.gz ABPIIESLWIEMKK-AWEZNQCLSA-N 1 0 386.338 2.552 20 0 GFADRO O=C(N[C@@H]1CCOc2c(Br)cccc21)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000581001568 564782845 /nfs/dbraw/zinc/78/28/45/564782845.db2.gz MGCNPRSUOYEUAU-TUKIKUTGSA-N 1 0 380.286 2.666 20 0 GFADRO COc1ccc(I)c(NC(=O)[C@H](C)Cc2c[nH]cn2)c1 ZINC000581021518 564783686 /nfs/dbraw/zinc/78/36/86/564783686.db2.gz YHYQUWVDSPLPMM-SECBINFHSA-N 1 0 385.205 2.840 20 0 GFADRO CC(C)CN1CCO[C@H](C[NH2+]CCC(=O)Nc2cccc(Br)c2)C1 ZINC000581037680 564785141 /nfs/dbraw/zinc/78/51/41/564785141.db2.gz PWANUXBCTDEASD-QGZVFWFLSA-N 1 0 398.345 2.724 20 0 GFADRO CSC1(CNC(=O)N2C[C@@H](C(F)(F)F)OC(C)(C)C2)CC[NH+](C)CC1 ZINC000491077363 564786167 /nfs/dbraw/zinc/78/61/67/564786167.db2.gz MUUPZMCQAQTDIE-LBPRGKRZSA-N 1 0 383.480 2.565 20 0 GFADRO FC(F)Oc1c(Br)cccc1CN1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000491169971 564787439 /nfs/dbraw/zinc/78/74/39/564787439.db2.gz YUQOXYCVWFXZMN-ZDUSSCGKSA-N 1 0 390.272 2.530 20 0 GFADRO O=S(=O)(NC[C@H]1CC[N@@H+]1C1CCCCC1)c1cnccc1C(F)(F)F ZINC000528479437 564787748 /nfs/dbraw/zinc/78/77/48/564787748.db2.gz VMTSZJRLEZFJRX-CYBMUJFWSA-N 1 0 377.432 2.786 20 0 GFADRO C[NH+]1CCC(n2ccc(=NC(=O)Cc3sccc3Br)[nH]2)CC1 ZINC000581113057 564788888 /nfs/dbraw/zinc/78/88/88/564788888.db2.gz FWCWIDYXCPVFHN-UHFFFAOYSA-N 1 0 383.315 2.577 20 0 GFADRO C[C@@H](NC[C@H]1CCC[N@H+](C)C1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000555369035 564790437 /nfs/dbraw/zinc/79/04/37/564790437.db2.gz XNKZCWFBPMDKEY-GHMZBOCLSA-N 1 0 380.341 2.633 20 0 GFADRO O=S(=O)(NC[C@H]1CC[N@@H+]1C1CCCC1)c1ccc(OC(F)F)c(F)c1 ZINC000528551569 564794267 /nfs/dbraw/zinc/79/42/67/564794267.db2.gz NUYACDYERBYBLC-GFCCVEGCSA-N 1 0 378.416 2.722 20 0 GFADRO O=C(NCCC[NH+]1CCCC1)N(CCO)Cc1cc(Br)cs1 ZINC000491871127 564796216 /nfs/dbraw/zinc/79/62/16/564796216.db2.gz NOUMPNLJOHFPKP-UHFFFAOYSA-N 1 0 390.347 2.500 20 0 GFADRO C[C@@H](C[NH2+]C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1)S(C)(=O)=O ZINC000581365382 564799185 /nfs/dbraw/zinc/79/91/85/564799185.db2.gz QRGMKAFBTQBASX-LBPRGKRZSA-N 1 0 379.353 2.981 20 0 GFADRO CC(C)[C@H]1C[NH2+]CCN1C(=O)Nc1ccc(F)cc1I ZINC000528682858 564799493 /nfs/dbraw/zinc/79/94/93/564799493.db2.gz ZNTCIOGZQREWNC-CYBMUJFWSA-N 1 0 391.228 2.892 20 0 GFADRO O=C(Nc1ccc2nccnc2c1Br)N[C@@H]1CC[NH2+]C12CCC2 ZINC000528689076 564800648 /nfs/dbraw/zinc/80/06/48/564800648.db2.gz HSQAFXCBWBAXKK-GFCCVEGCSA-N 1 0 376.258 2.798 20 0 GFADRO O=S(=O)(c1cscn1)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000581426785 564801182 /nfs/dbraw/zinc/80/11/82/564801182.db2.gz JAHZXSWUQYPRMO-SFHVURJKSA-N 1 0 377.535 2.820 20 0 GFADRO CSCCCNC(=O)C(=O)NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000555668611 564801476 /nfs/dbraw/zinc/80/14/76/564801476.db2.gz XLKNPTWJZOZMEO-HNNXBMFYSA-N 1 0 383.583 2.507 20 0 GFADRO C[NH+](C)C1(CNC(=O)C(=O)NCCSc2ccc(Cl)cc2)CCCC1 ZINC000555677449 564801583 /nfs/dbraw/zinc/80/15/83/564801583.db2.gz PGSFFEXFCNRJJV-UHFFFAOYSA-N 1 0 383.945 2.539 20 0 GFADRO O=C(CNC(=O)C[N@@H+]1CC[C@H](CC2CC2)C1)Nc1ccccc1Br ZINC000555700627 564802131 /nfs/dbraw/zinc/80/21/31/564802131.db2.gz HLFREULOGIIYEG-CQSZACIVSA-N 1 0 394.313 2.626 20 0 GFADRO C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+]C[C@@H]1CC(=O)N(C2CC2)C1 ZINC000581434244 564802194 /nfs/dbraw/zinc/80/21/94/564802194.db2.gz ORMPMFGKTCSIRQ-STQMWFEESA-N 1 0 394.313 2.767 20 0 GFADRO C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+]C[C@H]1CC(=O)N(C2CC2)C1 ZINC000581434243 564802297 /nfs/dbraw/zinc/80/22/97/564802297.db2.gz ORMPMFGKTCSIRQ-QWHCGFSZSA-N 1 0 394.313 2.767 20 0 GFADRO C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@H]2CCc3c2cccc3Br)[C@@H](C)C1 ZINC000492756635 564803402 /nfs/dbraw/zinc/80/34/02/564803402.db2.gz KIAXZDJDBXNILW-DCGLDWPTSA-N 1 0 396.329 2.533 20 0 GFADRO C[C@@H](NC(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1)c1ncc(Br)cn1 ZINC000581465639 564803680 /nfs/dbraw/zinc/80/36/80/564803680.db2.gz RSSBJUIHZBHWMW-FRRDWIJNSA-N 1 0 384.322 2.720 20 0 GFADRO C[NH+](C)C[C@H](NCc1nnn(CC(F)(F)F)n1)c1ccc(Cl)c(Cl)c1 ZINC000528767697 564803784 /nfs/dbraw/zinc/80/37/84/564803784.db2.gz POHIVBMGNXZZHX-LBPRGKRZSA-N 1 0 397.232 2.935 20 0 GFADRO CC[NH+]1CCN(CC(=O)N2CCC[C@@H]2c2cccc(Br)c2)CC1 ZINC000461880744 564806586 /nfs/dbraw/zinc/80/65/86/564806586.db2.gz BMXLVVCOTFZCHW-QGZVFWFLSA-N 1 0 380.330 2.750 20 0 GFADRO Cc1cccc(CC(=O)NCC2(O)CC[NH+](C(C)C)CC2)c1Br ZINC000528827569 564807330 /nfs/dbraw/zinc/80/73/30/564807330.db2.gz LKAQFYXADNNGIU-UHFFFAOYSA-N 1 0 383.330 2.652 20 0 GFADRO O=S(=O)(N[C@@H]1C[C@H]1C1CC[NH2+]CC1)c1cc(Br)sc1Cl ZINC000461900482 564807428 /nfs/dbraw/zinc/80/74/28/564807428.db2.gz KUEPGFLCZUNCKH-DTWKUNHWSA-N 1 0 399.763 2.830 20 0 GFADRO O=C(NCc1cccc(Cl)c1Cl)C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000555941976 564808709 /nfs/dbraw/zinc/80/87/09/564808709.db2.gz WYYJUVVQORLTNI-CYBMUJFWSA-N 1 0 384.307 2.743 20 0 GFADRO O=S(=O)(N[C@@H]1C[NH2+]C[C@H]1c1ccccc1)c1ccc(F)c(Br)c1 ZINC000581598433 564809693 /nfs/dbraw/zinc/80/96/93/564809693.db2.gz KBLBLQNABDBJMO-XJKSGUPXSA-N 1 0 399.285 2.622 20 0 GFADRO Cc1ccc(CNC(=O)C(=O)NC[C@H](c2ccc(Cl)cc2)[NH+](C)C)s1 ZINC000555976665 564810362 /nfs/dbraw/zinc/81/03/62/564810362.db2.gz MNNJETBMBXLYOH-MRXNPFEDSA-N 1 0 379.913 2.745 20 0 GFADRO COc1cc(Br)c(C[NH2+][C@@H](CO)Cc2ccc(F)cc2)cc1O ZINC000493739247 564811127 /nfs/dbraw/zinc/81/11/27/564811127.db2.gz WXFZZOZIYUDOQB-CQSZACIVSA-N 1 0 384.245 2.996 20 0 GFADRO C[C@]1(Br)C[C@@H]1C(=O)NCCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000528962330 564811630 /nfs/dbraw/zinc/81/16/30/564811630.db2.gz DFJQCGQSNGACAM-MJGOQNOKSA-N 1 0 395.341 2.993 20 0 GFADRO O=S(=O)(Cc1ccc(Br)cc1)N1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000581657825 564812842 /nfs/dbraw/zinc/81/28/42/564812842.db2.gz QITZALKFWVAIAB-HOTGVXAUSA-N 1 0 387.343 2.885 20 0 GFADRO CC[NH+]1CCC(NC(=O)N[C@H]2CCN(c3cccc(Br)c3)C2)CC1 ZINC000494202400 564818666 /nfs/dbraw/zinc/81/86/66/564818666.db2.gz UHWWUSUEPQGRNY-INIZCTEOSA-N 1 0 395.345 2.811 20 0 GFADRO O=S(=O)(CCc1ccccc1Br)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000462093457 564818807 /nfs/dbraw/zinc/81/88/07/564818807.db2.gz NDXFNJJUVYFOLJ-HZPDHXFCSA-N 1 0 387.343 2.538 20 0 GFADRO O=C(NCC[NH+]1CCCCC1)N[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000494202962 564819028 /nfs/dbraw/zinc/81/90/28/564819028.db2.gz ZKOCTOODUDIHEI-MRXNPFEDSA-N 1 0 395.345 2.813 20 0 GFADRO C[C@H]1C[C@H](NS(=O)(=O)CCc2ccccc2Br)C[N@@H+]1C1CC1 ZINC000462112687 564820627 /nfs/dbraw/zinc/82/06/27/564820627.db2.gz PDRQPRBWIOBYMY-JSGCOSHPSA-N 1 0 387.343 2.536 20 0 GFADRO O=C(NC[C@H]1CCC[NH2+]C1)[C@H](c1ccc(Br)cc1)N1CCCC1 ZINC000581883179 564821571 /nfs/dbraw/zinc/82/15/71/564821571.db2.gz OUWKFHKEMOYHME-YOEHRIQHSA-N 1 0 380.330 2.702 20 0 GFADRO C[C@H]1CN(C(=O)Nc2cnn(-c3ncc(Cl)cc3Cl)c2)C[C@@H]1[NH+](C)C ZINC000494295537 564823041 /nfs/dbraw/zinc/82/30/41/564823041.db2.gz LGTDAVCLDJDCHC-HZMBPMFUSA-N 1 0 383.283 2.988 20 0 GFADRO COC[C@@H](C)OC[C@H](O)C[NH2+]CC1(c2ccc(Br)cc2)CCC1 ZINC000581938833 564823780 /nfs/dbraw/zinc/82/37/80/564823780.db2.gz WRLKHSIAAGSTIT-RHSMWYFYSA-N 1 0 386.330 2.873 20 0 GFADRO CSc1cc(NCc2ccc(N3CC[NH+](C)CC3)nc2)nc(SC)n1 ZINC000581954441 564824861 /nfs/dbraw/zinc/82/48/61/564824861.db2.gz XUBLUYXMTIFLHF-UHFFFAOYSA-N 1 0 376.555 2.679 20 0 GFADRO O=C1CC[C@@H]([NH2+]Cc2cn(-c3cccc(Cl)c3Cl)nn2)[C@H](C2CC2)N1 ZINC000556428873 564825266 /nfs/dbraw/zinc/82/52/66/564825266.db2.gz BIQPSWJUGBVBCY-DYVFJYSZSA-N 1 0 380.279 2.721 20 0 GFADRO O=C(N[C@H]1CCN(c2ccccc2Br)C1)N1CC[NH+]2CCC1CC2 ZINC000556453790 564826986 /nfs/dbraw/zinc/82/69/86/564826986.db2.gz LVYKLXSNOJBISV-AWEZNQCLSA-N 1 0 393.329 2.517 20 0 GFADRO CCNC(=O)C[C@@H]1CCCC[N@@H+]1C[C@@H](O)COc1ccc(Br)cc1 ZINC000556517411 564829111 /nfs/dbraw/zinc/82/91/11/564829111.db2.gz BJYSIRXPYMZRMV-JKSUJKDBSA-N 1 0 399.329 2.570 20 0 GFADRO CC(C)[C@@H]1C[NH2+]CCN1C(=O)NCc1cc(F)c(F)cc1Br ZINC000529329724 564829376 /nfs/dbraw/zinc/82/93/76/564829376.db2.gz ZPBAPXDXUJGKQT-AWEZNQCLSA-N 1 0 376.245 2.867 20 0 GFADRO COc1ccc(Br)c(CN(C)C(=O)N[C@@H]2CC[NH2+]C23CCC3)c1 ZINC000529350310 564830263 /nfs/dbraw/zinc/83/02/63/564830263.db2.gz COJWTYMTOUEKJZ-OAHLLOKOSA-N 1 0 382.302 2.884 20 0 GFADRO COC(=O)c1ccc(CNC[C@H]2C[N@H+](CC(C)C)CCO2)c(Br)c1 ZINC000556595187 564830828 /nfs/dbraw/zinc/83/08/28/564830828.db2.gz CQJCIQWDJRRZMS-INIZCTEOSA-N 1 0 399.329 2.682 20 0 GFADRO O=C(c1c(Br)ccc2ccccc21)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000529386731 564833027 /nfs/dbraw/zinc/83/30/27/564833027.db2.gz IPYXQZUDWOFQMI-HUUCEWRRSA-N 1 0 389.293 2.883 20 0 GFADRO COCC[N@@H+]1CC[C@H](NC(=O)Nc2ccc(Br)c(C3CC3)n2)C1 ZINC000556662635 564833837 /nfs/dbraw/zinc/83/38/37/564833837.db2.gz OQNRKYTWXVWHPG-LBPRGKRZSA-N 1 0 383.290 2.564 20 0 GFADRO [NH3+]C1(c2noc(-c3ccc(Br)cc3-n3cncn3)n2)CCCC1 ZINC000582180734 564834269 /nfs/dbraw/zinc/83/42/69/564834269.db2.gz NUKPNTDRIBXIGP-UHFFFAOYSA-N 1 0 375.230 2.808 20 0 GFADRO O=C(Nc1cccc(C[N@H+]2CC[C@H](O)C2)c1)c1cc(O)cc(Br)c1 ZINC000529412782 564834360 /nfs/dbraw/zinc/83/43/60/564834360.db2.gz UDYCDMBMUKVMMQ-INIZCTEOSA-N 1 0 391.265 2.974 20 0 GFADRO [NH3+][C@H]1CCCC[C@H]1CC(=O)NCCC(=O)Nc1ccc(Br)cc1 ZINC000582238517 564836776 /nfs/dbraw/zinc/83/67/76/564836776.db2.gz IGAOMGBLFPKTRD-WFASDCNBSA-N 1 0 382.302 2.802 20 0 GFADRO Clc1cnc(CN2CCN(CC[NH+]3CCCC3)CC2)c(Br)c1 ZINC000529520946 564838513 /nfs/dbraw/zinc/83/85/13/564838513.db2.gz RTDYTOAVIHGFNS-UHFFFAOYSA-N 1 0 387.753 2.711 20 0 GFADRO CC[NH+](CC)[C@@H](C)CNS(=O)(=O)c1cnn(-c2ccc(Cl)cc2)c1C ZINC000462427789 564839027 /nfs/dbraw/zinc/83/90/27/564839027.db2.gz KFLIWEPXZBSGCF-ZDUSSCGKSA-N 1 0 384.933 2.843 20 0 GFADRO C[C@@H](CNS(=O)(=O)c1ccc(Br)c(F)c1)[N@@H+]1CCC[C@H](C)C1 ZINC000462438843 564839948 /nfs/dbraw/zinc/83/99/48/564839948.db2.gz FNQWHCQSNXSEMR-RYUDHWBXSA-N 1 0 393.322 2.987 20 0 GFADRO CC(=O)c1cc(Br)ccc1OCC(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000556830014 564842663 /nfs/dbraw/zinc/84/26/63/564842663.db2.gz PHCAGEHWDQIFDU-OAHLLOKOSA-N 1 0 395.297 2.727 20 0 GFADRO C[NH+]1CCC(CNC(=O)N[C@H]2CCN(c3cccc(Br)c3)C2)CC1 ZINC000494916784 564843907 /nfs/dbraw/zinc/84/39/07/564843907.db2.gz VDXNYHGVMOFWPY-INIZCTEOSA-N 1 0 395.345 2.669 20 0 GFADRO C[NH+](C)CC1(C(=O)NCCS(=O)(=O)c2ccc(Cl)cc2)CCCCC1 ZINC000495000590 564845517 /nfs/dbraw/zinc/84/55/17/564845517.db2.gz QWHABPKPDDXYCI-UHFFFAOYSA-N 1 0 386.945 2.742 20 0 GFADRO Cc1[nH]c(=O)c(Br)cc1C(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000556899326 564846021 /nfs/dbraw/zinc/84/60/21/564846021.db2.gz BSLXWIRCHPISPQ-ZDUSSCGKSA-N 1 0 382.302 2.662 20 0 GFADRO Cc1nn(-c2ccc(Cl)cc2)cc1CN1CC[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000529670725 564846887 /nfs/dbraw/zinc/84/68/87/564846887.db2.gz DGMZNPQVCQFEGT-MSOLQXFVSA-N 1 0 379.913 2.986 20 0 GFADRO COC(=O)c1cccc(NC(=O)NCCC[NH+]2CCCC2)c1Br ZINC000495063204 564847876 /nfs/dbraw/zinc/84/78/76/564847876.db2.gz WUECZRFXLCJGBB-UHFFFAOYSA-N 1 0 384.274 2.843 20 0 GFADRO O=C(NC[C@H]1CC[N@@H+]1C1CCCCC1)c1cncc(I)c1 ZINC000529723208 564848610 /nfs/dbraw/zinc/84/86/10/564848610.db2.gz RCCIWSZENCPSIV-OAHLLOKOSA-N 1 0 399.276 2.823 20 0 GFADRO Cc1cc(N2C[C@H](C(=O)N[C@@H](C)CCCC[NH3+])CC2=O)ccc1Br ZINC000495119341 564849136 /nfs/dbraw/zinc/84/91/36/564849136.db2.gz FZIILFWVFXGLNW-UONOGXRCSA-N 1 0 396.329 2.744 20 0 GFADRO O=C(CCCCCc1ccc(I)cc1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000495147129 564849900 /nfs/dbraw/zinc/84/99/00/564849900.db2.gz NYGSAIBXGRJJES-QLPKVWCKSA-N 1 0 398.288 2.728 20 0 GFADRO COc1cc(NC(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc(OC)c1Br ZINC000556982181 564850016 /nfs/dbraw/zinc/85/00/16/564850016.db2.gz YXQHLWDVBUBHSQ-PWSUYJOCSA-N 1 0 384.274 2.682 20 0 GFADRO Cc1nc(NC(=O)N2C[C@@H](C[NH3+])C3(C2)CCOCC3)sc1C(F)(F)F ZINC000557008791 564850878 /nfs/dbraw/zinc/85/08/78/564850878.db2.gz KITLGDPKQVXREZ-SNVBAGLBSA-N 1 0 378.420 2.690 20 0 GFADRO CCN(CCC[NH+](CC)CC)C(=O)C(=O)NCc1ccc(Br)cc1 ZINC000582560461 564852001 /nfs/dbraw/zinc/85/20/01/564852001.db2.gz UCZMSCGRXKVOBD-UHFFFAOYSA-N 1 0 398.345 2.646 20 0 GFADRO CS[C@@H]1CN(C(=O)CCc2cc(Br)cs2)C[C@@H]1[NH+](C)C ZINC000495551354 564854609 /nfs/dbraw/zinc/85/46/09/564854609.db2.gz YCENYINIJUAXKV-QWHCGFSZSA-N 1 0 377.373 2.947 20 0 GFADRO COc1ccc(Br)c(CC(=O)N2C[C@@H]([NH+](C)C)[C@@H](SC)C2)c1 ZINC000495606028 564855673 /nfs/dbraw/zinc/85/56/73/564855673.db2.gz HZRZGVNLYFTHBE-CABCVRRESA-N 1 0 387.343 2.504 20 0 GFADRO COC[C@@]1(CNC(=O)N2CCc3cc(Br)cc(C)c3C2)CCC[NH2+]1 ZINC000557219660 564858638 /nfs/dbraw/zinc/85/86/38/564858638.db2.gz GHLNMGGBYDNGKR-SFHVURJKSA-N 1 0 396.329 2.594 20 0 GFADRO C[NH+](C)CCOC1CCN(Cc2cc(Br)cc3c2OCC3)CC1 ZINC000462796240 564858975 /nfs/dbraw/zinc/85/89/75/564858975.db2.gz LUPBOEVZXQEBDB-UHFFFAOYSA-N 1 0 383.330 2.927 20 0 GFADRO CC[N@H+](CCNc1ncnc2ccc(I)cc21)C(C)C ZINC000462806172 564859023 /nfs/dbraw/zinc/85/90/23/564859023.db2.gz PEERYUKMHGTJLG-UHFFFAOYSA-N 1 0 384.265 3.377 20 0 GFADRO CC(C)[C@H](Oc1ccccc1Br)C(=O)N[C@H](CC[NH3+])C(F)F ZINC000582724792 564859046 /nfs/dbraw/zinc/85/90/46/564859046.db2.gz HDFXPCREBLHMPQ-YPMHNXCESA-N 1 0 379.245 2.951 20 0 GFADRO Cc1cc(N2CC[C@H]([NH2+][C@H]3CN(C4CC4)C[C@@H]3C)C2=O)ccc1Br ZINC000462841537 564859679 /nfs/dbraw/zinc/85/96/79/564859679.db2.gz PFUDMVHBPLGQFN-KKXDTOCCSA-N 1 0 392.341 2.935 20 0 GFADRO C[C@H]1CC[N@H+](C)CCN1c1ncnc2ccc(I)cc21 ZINC000462839800 564859974 /nfs/dbraw/zinc/85/99/74/564859974.db2.gz KWJDZZAEAKWQHS-NSHDSACASA-N 1 0 382.249 2.765 20 0 GFADRO CCn1nc(C(=O)N[C@@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)ccc1=O ZINC000530031415 564860209 /nfs/dbraw/zinc/86/02/09/564860209.db2.gz ILZMKCLEDAKLAX-HNNXBMFYSA-N 1 0 383.279 2.603 20 0 GFADRO C[NH+](C)C[C@H](NC(=O)[C@H]1CC(=O)N(C2CC2)C1)c1ccc(Cl)c(Cl)c1 ZINC000530032077 564860708 /nfs/dbraw/zinc/86/07/08/564860708.db2.gz OXBJAFYBHSAGMC-LRDDRELGSA-N 1 0 384.307 2.723 20 0 GFADRO C[C@H]1CCN(S(=O)(=O)Nc2cc(Cl)ccc2OC2CC[NH+](C)CC2)C1 ZINC000582766421 564860932 /nfs/dbraw/zinc/86/09/32/564860932.db2.gz RRZMHVJYXQPHMN-ZDUSSCGKSA-N 1 0 387.933 2.812 20 0 GFADRO C[C@@H](CNC(=O)C(=O)N1CC[N@H+](C)CC[C@H]1C)c1c(Cl)cccc1Cl ZINC000557456828 564864284 /nfs/dbraw/zinc/86/42/84/564864284.db2.gz VOAFMLUHTDWEJQ-QWHCGFSZSA-N 1 0 386.323 2.766 20 0 GFADRO C[C@H](CNC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)c(Cl)c1)C[NH+](C)C ZINC000557468485 564864375 /nfs/dbraw/zinc/86/43/75/564864375.db2.gz GJYJOTFPSVFBJZ-BTJLNZGRSA-N 1 0 386.323 2.827 20 0 GFADRO C[C@@H](Cc1ccncc1)[NH2+]C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000582840566 564864607 /nfs/dbraw/zinc/86/46/07/564864607.db2.gz BLNQTIMFTXGTSH-LRDDRELGSA-N 1 0 383.261 2.944 20 0 GFADRO [NH3+][C@H]1CCC[C@@H](CNC(=O)c2cn(-c3ccc(Br)cc3)cn2)C1 ZINC000582899815 564866830 /nfs/dbraw/zinc/86/68/30/564866830.db2.gz JZBRNDIVDQAHOT-OCCSQVGLSA-N 1 0 377.286 2.882 20 0 GFADRO COc1nc(N2CC[NH+]([C@H]3C[C@H]3c3ccccc3)CC2)ncc1Br ZINC000463107135 564869681 /nfs/dbraw/zinc/86/96/81/564869681.db2.gz PVEAMWWYKCCUGP-HOCLYGCPSA-N 1 0 389.297 2.926 20 0 GFADRO CCC[C@@H](C(=O)N[C@@H]1CCN(c2ccc(Br)c(C)c2)C1=O)[NH+](C)C ZINC000463173027 564871570 /nfs/dbraw/zinc/87/15/70/564871570.db2.gz VKXCUCFTWYDYBD-CVEARBPZSA-N 1 0 396.329 2.709 20 0 GFADRO O=S(=O)(c1ccc(Br)c(Cl)c1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000497617460 564872263 /nfs/dbraw/zinc/87/22/63/564872263.db2.gz QRLPIBZPBIJDQO-SNVBAGLBSA-N 1 0 379.707 2.618 20 0 GFADRO COCC[N@@H+]1CC[C@H](NC(=O)CCCC(=O)c2ccc(Br)cc2)C1 ZINC000497687639 564873483 /nfs/dbraw/zinc/87/34/83/564873483.db2.gz PIXCKZXDIGHVAB-INIZCTEOSA-N 1 0 397.313 2.639 20 0 GFADRO COCC[NH2+]C1CCN(C(=O)[C@H](C)Oc2cc(Cl)cc(Cl)c2)CC1 ZINC000583150990 564878830 /nfs/dbraw/zinc/87/88/30/564878830.db2.gz YRYDGMBSRUEUSH-LBPRGKRZSA-N 1 0 375.296 2.988 20 0 GFADRO CC1(C)Cc2c(cccc2Br)[C@H]1NC(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000557825969 564878892 /nfs/dbraw/zinc/87/88/92/564878892.db2.gz CUKVCHYYWONWQY-IAGOWNOFSA-N 1 0 392.341 2.579 20 0 GFADRO CCCNC(=O)CN(C)C(=O)C[NH2+]C(C)(C)c1ccc(Br)c(C)c1 ZINC000583172571 564879385 /nfs/dbraw/zinc/87/93/85/564879385.db2.gz GXPCTXSHNJZUGJ-UHFFFAOYSA-N 1 0 398.345 2.567 20 0 GFADRO C[C@@H](C1CC[NH+](C)CC1)N(C)S(=O)(=O)Cc1ccccc1Br ZINC000557835038 564880313 /nfs/dbraw/zinc/88/03/13/564880313.db2.gz WRZZZPYISXSROL-ZDUSSCGKSA-N 1 0 389.359 2.941 20 0 GFADRO CC[C@@H](C)[C@@H](NC(=O)C[N@H+](C)CCc1cccc(Br)c1)C(=O)OC ZINC000463415733 564880397 /nfs/dbraw/zinc/88/03/97/564880397.db2.gz RIJKUVMTSUCDII-CXAGYDPISA-N 1 0 399.329 2.627 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)c2cnnn2-c2c(Cl)cccc2Cl)C[N@@H+]1C1CC1 ZINC000530425723 564880891 /nfs/dbraw/zinc/88/08/91/564880891.db2.gz GFIFRXLEXBDRFE-MNOVXSKESA-N 1 0 380.279 2.929 20 0 GFADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2cc(Br)cn2C(C)C)C1 ZINC000463446038 564881498 /nfs/dbraw/zinc/88/14/98/564881498.db2.gz FZWUNBSORQJHFC-HNNXBMFYSA-N 1 0 386.334 2.918 20 0 GFADRO O=C([C@H]1CCc2cncn2C1)N1CCc2c(Br)ccc(F)c2C1 ZINC000583265014 564883767 /nfs/dbraw/zinc/88/37/67/564883767.db2.gz CMIRGVDVRBXGQR-NSHDSACASA-N 1 0 378.245 2.932 20 0 GFADRO COC(=O)[C@H]1CC[N@@H+]([C@H]2CCCN(c3ccc(Br)c(C)c3)C2=O)C1 ZINC000463504946 564883815 /nfs/dbraw/zinc/88/38/15/564883815.db2.gz YTNULADFSWSNNQ-BBRMVZONSA-N 1 0 395.297 2.748 20 0 GFADRO C[NH+](C)CCOC1CCN(C(=O)NCc2sccc2Br)CC1 ZINC000557900233 564884472 /nfs/dbraw/zinc/88/44/72/564884472.db2.gz PRVPNYWZRGLHIW-UHFFFAOYSA-N 1 0 390.347 2.763 20 0 GFADRO Cc1cc(Br)cc(C(=O)N2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)c1 ZINC000463597474 564885210 /nfs/dbraw/zinc/88/52/10/564885210.db2.gz MNWGFGFHIJZAKP-QAPCUYQASA-N 1 0 394.357 2.856 20 0 GFADRO CCCc1c(C(=O)NC[C@H]([NH3+])CC)nnn1Cc1cccc(Br)c1 ZINC000583321664 564886086 /nfs/dbraw/zinc/88/60/86/564886086.db2.gz XZULPWCTZQUFLB-CQSZACIVSA-N 1 0 394.317 2.509 20 0 GFADRO Brc1cc(C[NH2+]CCn2cnnc2C2CC2)cc2c1OCCCO2 ZINC000530633460 564889254 /nfs/dbraw/zinc/88/92/54/564889254.db2.gz ASJLFLIRQNAWSQ-UHFFFAOYSA-N 1 0 393.285 2.869 20 0 GFADRO C[C@H]1CN(C(=O)c2c(Cl)cccc2I)C[C@@H]1[NH+](C)C ZINC000463774446 564889793 /nfs/dbraw/zinc/88/97/93/564889793.db2.gz IDZVSCFGXXYXIY-CABZTGNLSA-N 1 0 392.668 2.967 20 0 GFADRO CC[NH+]1CCC(NC(=O)C[C@H](NC(C)=O)c2ccc(Br)cc2)CC1 ZINC000498232032 564892708 /nfs/dbraw/zinc/89/27/08/564892708.db2.gz SIJOHCHQQSVJBW-KRWDZBQOSA-N 1 0 396.329 2.617 20 0 GFADRO COCCN(CC[NH+](C)C)C(=O)C1(Cc2ccccc2Br)CC1 ZINC000583476896 564893231 /nfs/dbraw/zinc/89/32/31/564893231.db2.gz HBLVYPPGNOUEDH-UHFFFAOYSA-N 1 0 383.330 2.808 20 0 GFADRO CC(=O)NCC[C@@H]1CCC[N@H+](C[C@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000558156081 564894512 /nfs/dbraw/zinc/89/45/12/564894512.db2.gz UNSJXAVKOZNCJG-GJZGRUSLSA-N 1 0 389.323 2.971 20 0 GFADRO C[C@H](CC(=O)OC(C)(C)C)[NH2+][C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000558259587 564897177 /nfs/dbraw/zinc/89/71/77/564897177.db2.gz UIQFSRHCRQRHPU-ZIAGYGMSSA-N 1 0 388.555 2.611 20 0 GFADRO CCC[NH2+][C@H](C)C(=O)Nc1cc(-c2ccc(Br)cc2)nn1CCO ZINC000583563371 564897758 /nfs/dbraw/zinc/89/77/58/564897758.db2.gz RRXJFTHLYHXMII-GFCCVEGCSA-N 1 0 395.301 2.632 20 0 GFADRO CC[C@H](NC(=O)C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21)c1ccc(Cl)s1 ZINC000558333075 564897918 /nfs/dbraw/zinc/89/79/18/564897918.db2.gz STSUXNAUROUACY-IHRRRGAJSA-N 1 0 383.945 2.912 20 0 GFADRO C[C@@H](Oc1ccc(F)cc1Br)C(=O)N(C)[C@H]1C[NH+]2CCC1CC2 ZINC000498487355 564899396 /nfs/dbraw/zinc/89/93/96/564899396.db2.gz VLZYSBAXKNBRGS-ABAIWWIYSA-N 1 0 385.277 2.908 20 0 GFADRO C[C@H]1c2cc(Cl)c(Cl)cc2CCN1C(=O)C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000583625205 564899746 /nfs/dbraw/zinc/89/97/46/564899746.db2.gz TVDUBRKZYDYRTE-RYUDHWBXSA-N 1 0 384.307 2.636 20 0 GFADRO CC[C@@H](C(=O)NCC(=O)Nc1cc(Br)ccc1C)[NH+](CC)CC ZINC000531048681 564899788 /nfs/dbraw/zinc/89/97/88/564899788.db2.gz XRBBIQVJFOCYMH-HNNXBMFYSA-N 1 0 384.318 2.933 20 0 GFADRO O=C(NC[C@@]1(O)C[NH+]2CCC1CC2)c1cc(Br)cc2ccccc21 ZINC000583640917 564900719 /nfs/dbraw/zinc/90/07/19/564900719.db2.gz YNKJSKQFVLAQTC-LJQANCHMSA-N 1 0 389.293 2.789 20 0 GFADRO CSC1(CNS(=O)(=O)c2cccc3ccc(C)nc32)CC[NH+](C)CC1 ZINC000558483685 564903152 /nfs/dbraw/zinc/90/31/52/564903152.db2.gz AQFHYLFZZLHROG-UHFFFAOYSA-N 1 0 379.551 2.649 20 0 GFADRO C[NH+](C)Cc1ccc(S(=O)(=O)NC[C@@]2(C)OCCc3sccc32)cc1 ZINC000558483160 564903768 /nfs/dbraw/zinc/90/37/68/564903768.db2.gz BWUKMFGFKGKWTR-GOSISDBHSA-N 1 0 380.535 2.576 20 0 GFADRO O=C(NC1(c2cccc(Br)c2)CC1)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000583746938 564905072 /nfs/dbraw/zinc/90/50/72/564905072.db2.gz ATHCVNCHCWKAIQ-MRXNPFEDSA-N 1 0 389.297 2.989 20 0 GFADRO CCC[N@H+](C)C[C@@H]1CCN(c2ccc(S(N)(=O)=O)cc2C(F)(F)F)C1 ZINC000498663061 564905253 /nfs/dbraw/zinc/90/52/53/564905253.db2.gz ZMCKOCBJUQWUEN-LBPRGKRZSA-N 1 0 379.448 2.521 20 0 GFADRO CC[N@H+](CCNC(=O)C(=O)Nc1cc(Cl)ccc1C(F)(F)F)C1CC1 ZINC000498659352 564905466 /nfs/dbraw/zinc/90/54/66/564905466.db2.gz DTJLXEMCCMQVKD-UHFFFAOYSA-N 1 0 377.794 2.898 20 0 GFADRO C[C@@H]1CC[N@H+](C)CCN1C(=O)c1cnn(-c2cccc(Br)c2)c1 ZINC000498707204 564905957 /nfs/dbraw/zinc/90/59/57/564905957.db2.gz GNVHLJXBWLNGAC-CYBMUJFWSA-N 1 0 377.286 2.801 20 0 GFADRO Cc1c(C(=O)N2CC[N@@H+](C)CC[C@@H]2C)nnn1-c1cccc(Br)c1 ZINC000498728116 564906785 /nfs/dbraw/zinc/90/67/85/564906785.db2.gz JXYQVSGMMUXQOO-LBPRGKRZSA-N 1 0 392.301 2.504 20 0 GFADRO COC[C@@]1(CNC(=O)c2ccc(Br)cc2OC(C)C)CCC[NH2+]1 ZINC000583807087 564907939 /nfs/dbraw/zinc/90/79/39/564907939.db2.gz QAVFRUWJSUUAKI-KRWDZBQOSA-N 1 0 385.302 2.735 20 0 GFADRO CC(C)(C)[C@@H](O)C[C@H](CO)[NH2+]CCC(=O)Nc1cccc(Br)c1 ZINC000583812774 564908808 /nfs/dbraw/zinc/90/88/08/564908808.db2.gz TZPDEWVYNWAQFD-CABCVRRESA-N 1 0 387.318 2.525 20 0 GFADRO CN(C(=O)c1cc(=O)[nH]c2c(Br)cccc12)[C@@H]1C[NH+]2CCC1CC2 ZINC000531410324 564909907 /nfs/dbraw/zinc/90/99/07/564909907.db2.gz JZHKKXYFIGSIRM-OAHLLOKOSA-N 1 0 390.281 2.869 20 0 GFADRO CC[N@@H+]1C[C@H](C)N(CC(=O)N(C)Cc2ccccc2Br)C[C@@H]1C ZINC000498929605 564913695 /nfs/dbraw/zinc/91/36/95/564913695.db2.gz PLOZGLXOHIWMLZ-GJZGRUSLSA-N 1 0 382.346 2.822 20 0 GFADRO O[C@H](C[NH2+]C[C@H]1CCN(CC(F)(F)F)C1)COCc1ccccc1Cl ZINC000583989073 564915025 /nfs/dbraw/zinc/91/50/25/564915025.db2.gz AVYFSTHZQYXGON-UKRRQHHQSA-N 1 0 380.838 2.691 20 0 GFADRO O=C(N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000583992296 564916217 /nfs/dbraw/zinc/91/62/17/564916217.db2.gz BVFUAEGBEFDQPW-DJCROIMJSA-N 1 0 382.291 2.605 20 0 GFADRO C[NH+](C)C1CCN(c2ccc(NC(=O)c3cc(Br)c[nH]3)nc2)CC1 ZINC000531660440 564917418 /nfs/dbraw/zinc/91/74/18/564917418.db2.gz ZVDAXFJMNURTSJ-UHFFFAOYSA-N 1 0 392.301 2.955 20 0 GFADRO CCS[C@H]1CC[C@@H]([N@H+](C)CC(=O)Nc2ccccc2SCC(N)=O)C1 ZINC000464768318 564917463 /nfs/dbraw/zinc/91/74/63/564917463.db2.gz BRSGDJLNYIPPPM-KGLIPLIRSA-N 1 0 381.567 2.809 20 0 GFADRO [NH3+]CC[C@H]1CCCCN1C(=O)CCNC(=O)Nc1ccc(Br)cc1 ZINC000584048026 564917926 /nfs/dbraw/zinc/91/79/26/564917926.db2.gz ZUMOCTSLPXEAFP-OAHLLOKOSA-N 1 0 397.317 2.691 20 0 GFADRO C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)NC1(CCO)CC[NH+](C)CC1 ZINC000499122598 564918288 /nfs/dbraw/zinc/91/82/88/564918288.db2.gz CKFGXXVDRSYXMI-GFCCVEGCSA-N 1 0 375.296 2.724 20 0 GFADRO C[C@H](NC(=O)C[N@@H+]1CCC[C@]2(CNC(=O)C2)C1)c1ccc(Cl)cc1Cl ZINC000464803095 564918940 /nfs/dbraw/zinc/91/89/40/564918940.db2.gz VYLOFHKIEFRADT-SGTLLEGYSA-N 1 0 384.307 2.773 20 0 GFADRO COc1ccc(Br)cc1CNC(=O)N1CC[N@H+](C)C[C@@H]1C(C)C ZINC000531771638 564920135 /nfs/dbraw/zinc/92/01/35/564920135.db2.gz KREUWEKUXRFDHH-OAHLLOKOSA-N 1 0 384.318 2.939 20 0 GFADRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Cn1cc(Br)cn1 ZINC000464979571 564921705 /nfs/dbraw/zinc/92/17/05/564921705.db2.gz IXOWDPUSGSDORV-INIZCTEOSA-N 1 0 391.313 2.626 20 0 GFADRO O=S(=O)(N[C@H]1CCCC[C@H]1N1CCOCC1)c1ccc(Cl)c(Cl)c1 ZINC000531911511 564923709 /nfs/dbraw/zinc/92/37/09/564923709.db2.gz ITDWCPDCAIFCSF-JKSUJKDBSA-N 1 0 393.336 2.915 20 0 GFADRO CC[NH+](CC)CCOC1CCN(C(=O)c2cncc(Br)c2)CC1 ZINC000465267210 564926442 /nfs/dbraw/zinc/92/64/42/564926442.db2.gz PBWXPLXBNNJWPN-UHFFFAOYSA-N 1 0 384.318 2.807 20 0 GFADRO C[C@H](CNC(=O)NC[C@H](C)Oc1ccc(Br)cc1)[N@H+](C)C1CC1 ZINC000465905731 564933647 /nfs/dbraw/zinc/93/36/47/564933647.db2.gz ZGMBVIXLENSWHI-OLZOCXBDSA-N 1 0 384.318 2.998 20 0 GFADRO C[C@H](CNC(=O)Nc1ccc(NS(C)(=O)=O)c(Cl)c1)C[NH+]1CCCC1 ZINC000532311014 564934015 /nfs/dbraw/zinc/93/40/15/564934015.db2.gz PTMOURDNPGGQOV-GFCCVEGCSA-N 1 0 388.921 2.565 20 0 GFADRO CC[N@@H+]1CCC[C@@H](CNC(=O)c2cc(Br)c(OC)c(OC)c2)C1 ZINC000559552136 564935492 /nfs/dbraw/zinc/93/54/92/564935492.db2.gz QAWYBQQMYIFZOY-LBPRGKRZSA-N 1 0 385.302 2.928 20 0 GFADRO COC(C)(C)C[N@H+](C)CC(=O)N(C)CCOc1ccc(Br)cc1 ZINC000532340726 564936019 /nfs/dbraw/zinc/93/60/19/564936019.db2.gz OUTXEJCINBOMKK-UHFFFAOYSA-N 1 0 387.318 2.643 20 0 GFADRO C[C@@H](CNC(=O)N1CCC[C@@H]([NH+](C)C)C1)Oc1cccc(Br)c1 ZINC000466295221 564936828 /nfs/dbraw/zinc/93/68/28/564936828.db2.gz CSQGBRUVRJOACI-DZGCQCFKSA-N 1 0 384.318 2.952 20 0 GFADRO C[C@@H](CNC(=O)c1cc(I)ccc1F)[NH+]1CCCC1 ZINC000532407696 564937257 /nfs/dbraw/zinc/93/72/57/564937257.db2.gz FKIUIPUXUMICHC-JTQLQIEISA-N 1 0 376.213 2.644 20 0 GFADRO CC(C)(CNC(=O)C(=O)NCc1cccc(Cl)c1Cl)C[NH+]1CCCC1 ZINC000559633982 564937696 /nfs/dbraw/zinc/93/76/96/564937696.db2.gz YMKYZHGGHHZIMG-UHFFFAOYSA-N 1 0 386.323 2.848 20 0 GFADRO Cc1nn(C(C)C)cc1C[NH2+]CCCNS(=O)(=O)c1ccccc1Cl ZINC000466381633 564939746 /nfs/dbraw/zinc/93/97/46/564939746.db2.gz HWAPGUNMAQQNLL-UHFFFAOYSA-N 1 0 384.933 2.884 20 0 GFADRO C[C@@H](CNC(=O)C(=O)Nc1cc(Cl)ccc1Br)[NH+]1CCCC1 ZINC000532530856 564940064 /nfs/dbraw/zinc/94/00/64/564940064.db2.gz QWHDSNPBUCZZAG-JTQLQIEISA-N 1 0 388.693 2.642 20 0 GFADRO CSc1ccc([C@@H](C)[NH2+]Cc2cnn([C@@]3(C)CCS(=O)(=O)C3)c2)cc1 ZINC000466414042 564940289 /nfs/dbraw/zinc/94/02/89/564940289.db2.gz GNBWUKIVERXYHS-KDOFPFPSSA-N 1 0 379.551 2.990 20 0 GFADRO Cc1ccc(NC(=O)C[N@H+](CC(C)(C)O)C2CCOCC2)c(Br)c1 ZINC000532646079 564941901 /nfs/dbraw/zinc/94/19/01/564941901.db2.gz JLEXJBYVNWOLFA-UHFFFAOYSA-N 1 0 399.329 2.948 20 0 GFADRO C[NH+](C)CC1(NC(=O)c2cc(=O)[nH]c3ccc(Br)cc32)CCC1 ZINC000466578039 564943603 /nfs/dbraw/zinc/94/36/03/564943603.db2.gz QCVXSHOCDNCMDS-UHFFFAOYSA-N 1 0 378.270 2.917 20 0 GFADRO CC(C)[C@@H](CNS(=O)(=O)CCC(F)(F)F)[N@@H+]1CCc2ccccc2C1 ZINC000560042282 564946127 /nfs/dbraw/zinc/94/61/27/564946127.db2.gz SKWVPLWIKUGAPC-MRXNPFEDSA-N 1 0 378.460 2.941 20 0 GFADRO C[NH+](C)C1(CNC(=O)C(=O)Nc2cc(Cl)ccc2C(F)(F)F)CCC1 ZINC000500206379 564948282 /nfs/dbraw/zinc/94/82/82/564948282.db2.gz FWLVDBYDQVYCRK-UHFFFAOYSA-N 1 0 377.794 2.898 20 0 GFADRO Cc1ccncc1C[NH2+]CC(=O)Nc1ccc(I)cc1 ZINC000560075112 564948840 /nfs/dbraw/zinc/94/88/40/564948840.db2.gz BZJMAMUBXKCKRV-UHFFFAOYSA-N 1 0 381.217 2.723 20 0 GFADRO CC[NH+](CC)CCOC1CCN(S(=O)(=O)c2cc(F)ccc2Cl)CC1 ZINC000466878035 564949170 /nfs/dbraw/zinc/94/91/70/564949170.db2.gz PHJRCCFYNBINFT-UHFFFAOYSA-N 1 0 392.924 2.991 20 0 GFADRO CC[NH+](CC)CCOC1CCN(S(=O)(=O)c2cccc(Cl)c2F)CC1 ZINC000466883595 564949274 /nfs/dbraw/zinc/94/92/74/564949274.db2.gz QNMQEUGNYRMBEC-UHFFFAOYSA-N 1 0 392.924 2.991 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)C[N@H+](C)C1CCC1 ZINC000532969459 564950992 /nfs/dbraw/zinc/95/09/92/564950992.db2.gz NJVHACBGMWFWPE-UHFFFAOYSA-N 1 0 382.302 2.639 20 0 GFADRO C[N@H+](CCC(=O)OC(C)(C)C)Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000533024367 564951542 /nfs/dbraw/zinc/95/15/42/564951542.db2.gz VWENUXCVFCDFRK-UHFFFAOYSA-N 1 0 396.285 2.621 20 0 GFADRO CS(=O)(=O)N[C@H]1CCC[C@@H]1C[NH2+]Cc1c(F)ccc(Br)c1F ZINC000500401476 564951917 /nfs/dbraw/zinc/95/19/17/564951917.db2.gz XOUSRIOVOYBZPY-RNCFNFMXSA-N 1 0 397.285 2.535 20 0 GFADRO C/C(=C\c1ccccc1C(F)(F)F)C[NH2+]CCNS(=O)(=O)NC(C)C ZINC000500396523 564952204 /nfs/dbraw/zinc/95/22/04/564952204.db2.gz ARZYLVYZPDQZTD-JLHYYAGUSA-N 1 0 379.448 2.531 20 0 GFADRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1cccc(F)c1I ZINC000533077196 564953420 /nfs/dbraw/zinc/95/34/20/564953420.db2.gz BMTNSVCVUKLZCH-ZWNOBZJWSA-N 1 0 390.240 2.843 20 0 GFADRO CC[NH+](CC)[C@H]1CCN(C(=O)c2cccc(F)c2I)C1 ZINC000533077156 564953616 /nfs/dbraw/zinc/95/36/16/564953616.db2.gz UYRONBNCGNBJLP-NSHDSACASA-N 1 0 390.240 2.987 20 0 GFADRO Cc1nn(C)cc1[C@H](C)[NH2+]CC(=O)Nc1ccc(I)cc1 ZINC000560267468 564954923 /nfs/dbraw/zinc/95/49/23/564954923.db2.gz DEPBBLIOXUPXAI-JTQLQIEISA-N 1 0 398.248 2.622 20 0 GFADRO C[NH+](C)C[C@@](C)(O)CNC(=O)c1[nH]c2ccc(Br)cc2c1Cl ZINC000533111041 564955631 /nfs/dbraw/zinc/95/56/31/564955631.db2.gz PQLIBTYOYJRXDN-HNNXBMFYSA-N 1 0 388.693 2.626 20 0 GFADRO O[C@@H](COC[C@@H]1CCCO1)CN1CCc2c(F)ccc(Br)c2C1 ZINC000560278686 564956410 /nfs/dbraw/zinc/95/64/10/564956410.db2.gz HYDZLZZRKTVROG-OLZOCXBDSA-N 1 0 388.277 2.503 20 0 GFADRO Cc1ccc(-c2nc(C[NH2+][C@@H]3CCC[C@@H]3CNS(C)(=O)=O)cs2)cc1 ZINC000500545308 564957170 /nfs/dbraw/zinc/95/71/70/564957170.db2.gz NCHXZTUHLBPMPS-NVXWUHKLSA-N 1 0 379.551 2.926 20 0 GFADRO C[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2cc(Br)sc2Cl)C1 ZINC000533228956 564958937 /nfs/dbraw/zinc/95/89/37/564958937.db2.gz PGRSHAGASGBWGN-QMMMGPOBSA-N 1 0 387.752 2.784 20 0 GFADRO COc1ccc(C(=O)N2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)c(Br)c1 ZINC000533478430 564963178 /nfs/dbraw/zinc/96/31/78/564963178.db2.gz XKMWYGUWTLHRBS-JCURWCKSSA-N 1 0 397.313 2.781 20 0 GFADRO Cc1nc(-c2cccc(Cl)c2)sc1C(=O)NCC1(O)CC[NH+](C)CC1 ZINC000467499820 564964794 /nfs/dbraw/zinc/96/47/94/564964794.db2.gz SHNYIKFXSOYIRL-UHFFFAOYSA-N 1 0 379.913 2.958 20 0 GFADRO O=S(=O)(C1CC1)N1CCC[C@@H]([NH2+]Cc2cnc(-c3ccsc3)s2)C1 ZINC000560502714 564965598 /nfs/dbraw/zinc/96/55/98/564965598.db2.gz GFFYJWRMFQRWDE-CYBMUJFWSA-N 1 0 383.564 2.918 20 0 GFADRO C[C@](CO)([NH2+]Cc1cnc(N2CCCC2)nc1)c1ccc(Br)cc1 ZINC000560501377 564965716 /nfs/dbraw/zinc/96/57/16/564965716.db2.gz OEJXQIILUDBBAQ-GOSISDBHSA-N 1 0 391.313 2.837 20 0 GFADRO C[C@@H]([NH2+][C@@H](C)C1(S(C)(=O)=O)CC1)c1ccc(I)cc1 ZINC000560580731 564969354 /nfs/dbraw/zinc/96/93/54/564969354.db2.gz IRVGENJWGMIDNG-MNOVXSKESA-N 1 0 393.290 2.908 20 0 GFADRO CC[C@]1(C(=O)NC[C@H]2CCN(c3ccc(Br)cc3)C2)CCC[NH2+]1 ZINC000467714574 564970191 /nfs/dbraw/zinc/97/01/91/564970191.db2.gz RCRVXDNZYLXALO-RDTXWAMCSA-N 1 0 380.330 2.924 20 0 GFADRO CC[C@@]1(C(=O)NC[C@@H]2CCN(c3ccc(Br)cc3)C2)CCC[NH2+]1 ZINC000467714573 564970293 /nfs/dbraw/zinc/97/02/93/564970293.db2.gz RCRVXDNZYLXALO-KSSFIOAISA-N 1 0 380.330 2.924 20 0 GFADRO COC(=O)CN1CCC([NH2+]CCc2ccc(Br)cc2Cl)CC1 ZINC000560622252 564970631 /nfs/dbraw/zinc/97/06/31/564970631.db2.gz HWCQGBSINSRPOM-UHFFFAOYSA-N 1 0 389.721 2.872 20 0 GFADRO C[C@H](NS(=O)(=O)c1ccc(F)c(Br)c1)C(C)(C)C[NH+](C)C ZINC000467770562 564971942 /nfs/dbraw/zinc/97/19/42/564971942.db2.gz KVGPKEFPAYQCMR-JTQLQIEISA-N 1 0 381.311 2.843 20 0 GFADRO C[NH+](C)CC1CCN(S(=O)(=O)c2cc(F)ccc2Br)CC1 ZINC000501136148 564972545 /nfs/dbraw/zinc/97/25/45/564972545.db2.gz AJKUXPDJJKDCEX-UHFFFAOYSA-N 1 0 379.295 2.551 20 0 GFADRO C[NH+](C)CC1CCN(S(=O)(=O)c2cc(Br)c(F)cc2F)CC1 ZINC000501186363 564973243 /nfs/dbraw/zinc/97/32/43/564973243.db2.gz NFAKPRSMJVLCGN-UHFFFAOYSA-N 1 0 397.285 2.690 20 0 GFADRO COc1ccc([C@H](C)NC(=O)NCCNc2cc[nH+]cc2)cc1Br ZINC000533811920 564973627 /nfs/dbraw/zinc/97/36/27/564973627.db2.gz LHQVGUXUYUVBCJ-LBPRGKRZSA-N 1 0 393.285 2.747 20 0 GFADRO C[NH+]1CCN(c2ccc(Br)cc2NC(=O)[C@H]2CCCCO2)CC1 ZINC000501229235 564973974 /nfs/dbraw/zinc/97/39/74/564973974.db2.gz SBWXOCWXIPDOHE-MRXNPFEDSA-N 1 0 382.302 2.709 20 0 GFADRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)Nc2cncc(Br)c2)C1 ZINC000533855672 564974388 /nfs/dbraw/zinc/97/43/88/564974388.db2.gz OAQCJAPDAOQCHL-HNNXBMFYSA-N 1 0 385.306 2.809 20 0 GFADRO COc1ccc(Br)cc1C(=O)CCC(=O)N1CCN(C)CC1(C)C ZINC000501341797 564977285 /nfs/dbraw/zinc/97/72/85/564977285.db2.gz REBOLYXUAZYAHU-UHFFFAOYSA-N 1 0 397.313 2.973 20 0 GFADRO CCc1n[nH]c(C(=O)N(CC[NH+](C)C)Cc2ccccc2)c1Br ZINC000468503541 564985182 /nfs/dbraw/zinc/98/51/82/564985182.db2.gz CEVWCZHDMPHNIY-UHFFFAOYSA-N 1 0 379.302 2.939 20 0 GFADRO C[C@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000468518754 564985588 /nfs/dbraw/zinc/98/55/88/564985588.db2.gz QHEUSUMFDCLYAM-OCCSQVGLSA-N 1 0 386.323 2.923 20 0 GFADRO CCN(CC)S(=O)(=O)c1ccc(C[NH2+][C@H]2COc3ccccc3C2)s1 ZINC000561274020 564989033 /nfs/dbraw/zinc/98/90/33/564989033.db2.gz UXKKFGVKLOCPCZ-OAHLLOKOSA-N 1 0 380.535 2.872 20 0 GFADRO CC[NH+](CC)CCN(CCOC)C(=O)Cc1ccc(Br)c(F)c1 ZINC000502053455 564991245 /nfs/dbraw/zinc/99/12/45/564991245.db2.gz FCEDYKSLDYTSLR-UHFFFAOYSA-N 1 0 389.309 2.948 20 0 GFADRO COCc1ccccc1CS(=O)(=O)N(CC[NH+](C)C)Cc1cccs1 ZINC000561470147 564995941 /nfs/dbraw/zinc/99/59/41/564995941.db2.gz APQDWDHUYCYJQL-UHFFFAOYSA-N 1 0 382.551 2.788 20 0 GFADRO CN(Cc1c(F)cccc1Cl)S(=O)(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000502380290 564997232 /nfs/dbraw/zinc/99/72/32/564997232.db2.gz VRYXFBCXUUFOJL-UHFFFAOYSA-N 1 0 389.924 2.716 20 0 GFADRO Cc1csc(N2CCC([NH2+]Cc3cc(S(C)(=O)=O)ccc3F)CC2)n1 ZINC000502379942 564997353 /nfs/dbraw/zinc/99/73/53/564997353.db2.gz WUDXYFDLQIINIZ-UHFFFAOYSA-N 1 0 383.514 2.753 20 0 GFADRO COc1c(Br)c(C)sc1C(=O)N1C[C@@H](SC)[C@H]([NH+](C)C)C1 ZINC000534828576 564998373 /nfs/dbraw/zinc/99/83/73/564998373.db2.gz JGWQTMUCYIOLIA-NXEZZACHSA-N 1 0 393.372 2.945 20 0 GFADRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)[C@H](C)c3cccc(Br)c3)[C@H]2C1 ZINC000502494516 565000577 /nfs/dbraw/zinc/00/05/77/565000577.db2.gz AMPHYTVSGANGTP-XOKHGSTOSA-N 1 0 381.314 2.874 20 0 GFADRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1S(=O)(=O)c1ccc(Br)cc1F ZINC000561552375 565001244 /nfs/dbraw/zinc/00/12/44/565001244.db2.gz OCBKYMDTMBVPDS-SMDDNHRTSA-N 1 0 391.306 2.836 20 0 GFADRO CC[NH+]1CCN(CC(=O)NC(C)(C)Cc2ccc(Br)c(C)c2)CC1 ZINC000561645820 565005241 /nfs/dbraw/zinc/00/52/41/565005241.db2.gz PMQHSSQQPIMOCZ-UHFFFAOYSA-N 1 0 396.373 2.832 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cn(-c2ccc(Br)cc2)cn1 ZINC000535153475 565006427 /nfs/dbraw/zinc/00/64/27/565006427.db2.gz OWFZISZEUNJBQN-OAHLLOKOSA-N 1 0 377.286 2.849 20 0 GFADRO C[C@H](CN1CCOCC1)N(C)C(=O)c1ccnc(SCC(F)(F)F)c1 ZINC000469145272 565006985 /nfs/dbraw/zinc/00/69/85/565006985.db2.gz FQVKNBGSADWXBU-GFCCVEGCSA-N 1 0 377.432 2.529 20 0 GFADRO CC(C)[NH+]1CCC(C(=O)N2CCC(n3cc(Br)cn3)CC2)CC1 ZINC000469167519 565007496 /nfs/dbraw/zinc/00/74/96/565007496.db2.gz UPULLGZIYJAMKU-UHFFFAOYSA-N 1 0 383.334 2.930 20 0 GFADRO CS(=O)(=O)c1ccc(CNC(=O)NCCCCC[NH+]2CCCCC2)s1 ZINC000469156808 565007583 /nfs/dbraw/zinc/00/75/83/565007583.db2.gz BOCBLYMXUIURSM-UHFFFAOYSA-N 1 0 387.571 2.607 20 0 GFADRO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000469180830 565008184 /nfs/dbraw/zinc/00/81/84/565008184.db2.gz ZHDDYUHTLPOGTK-VNHYZAJKSA-N 1 0 390.933 2.515 20 0 GFADRO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000469180748 565008276 /nfs/dbraw/zinc/00/82/76/565008276.db2.gz ZHDDYUHTLPOGTK-KCQAQPDRSA-N 1 0 390.933 2.515 20 0 GFADRO CC[C@H](C)[N@H+](C)CCNS(=O)(=O)c1cc(Cl)ccc1O[C@@H](C)COC ZINC000469364578 565014573 /nfs/dbraw/zinc/01/45/73/565014573.db2.gz PUAJZVDWPIKEPD-KBPBESRZSA-N 1 0 392.949 2.762 20 0 GFADRO O=C(NCC[NH2+][C@@H]1CCc2c1cc(Br)cc2Cl)c1cnccn1 ZINC000535508943 565014961 /nfs/dbraw/zinc/01/49/61/565014961.db2.gz PINRJGPQPWQNIY-CQSZACIVSA-N 1 0 395.688 2.899 20 0 GFADRO COc1ccc(S(=O)(=O)N2C[C@@H]([NH+](C)C)[C@@H](SC)C2)c(Cl)c1Cl ZINC000503218776 565014913 /nfs/dbraw/zinc/01/49/13/565014913.db2.gz LFWWUBLZMCOGCM-KOLCDFICSA-N 1 0 399.365 2.668 20 0 GFADRO CCCN(CC[NH+](C)C)C(=O)[C@H]1CC(=O)Nc2ccc(Br)cc21 ZINC000469375432 565015621 /nfs/dbraw/zinc/01/56/21/565015621.db2.gz PDGQOLALSSAOHQ-AWEZNQCLSA-N 1 0 382.302 2.675 20 0 GFADRO C[N@H+](C[C@H](O)CN1CCO[C@@H](c2cc(F)c(Cl)cc2Cl)C1)C1CC1 ZINC000562029022 565015706 /nfs/dbraw/zinc/01/57/06/565015706.db2.gz CCCUCVATTSDYJE-YVEFUNNKSA-N 1 0 377.287 2.961 20 0 GFADRO Cc1cnn([C@@H]2CC[N@H+](C[C@H](O)COc3ccc(Br)cc3)C2)c1 ZINC000562056769 565016428 /nfs/dbraw/zinc/01/64/28/565016428.db2.gz MDQWKHJKWBKURA-CVEARBPZSA-N 1 0 380.286 2.641 20 0 GFADRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)[C@H]1CC(=O)Nc2ccc(Br)cc21 ZINC000469430611 565016951 /nfs/dbraw/zinc/01/69/51/565016951.db2.gz UCPKQLDKTOFQMF-WFASDCNBSA-N 1 0 394.313 2.675 20 0 GFADRO CC[N@@H+]1CCCN(C(=O)C2(c3ccc(I)cc3)CC2)CC1 ZINC000503325158 565017973 /nfs/dbraw/zinc/01/79/73/565017973.db2.gz SBKIHXOAZCEOPG-UHFFFAOYSA-N 1 0 398.288 2.877 20 0 GFADRO CC[NH+]1CCN(CCC(=O)N2CCCc3cc(Br)ccc32)CC1 ZINC000562274303 565022815 /nfs/dbraw/zinc/02/28/15/565022815.db2.gz CSNHMLQOPQZOQC-UHFFFAOYSA-N 1 0 380.330 2.756 20 0 GFADRO CO[C@H](C)c1nc(CN2CCC[N@H+](C[C@H](O)CC(F)(F)F)CC2)cs1 ZINC000469720637 565025146 /nfs/dbraw/zinc/02/51/46/565025146.db2.gz JMNIBXFSONKMLW-TZMCWYRMSA-N 1 0 381.464 2.672 20 0 GFADRO CC1=CC[N@H+](CC(=O)N2CCN(Cc3ccc(Br)s3)CC2)CC1 ZINC000535970442 565025539 /nfs/dbraw/zinc/02/55/39/565025539.db2.gz WQOVCVUYFNTNPX-UHFFFAOYSA-N 1 0 398.370 2.807 20 0 GFADRO C[C@H](c1cccc(N2CCCS2(=O)=O)c1)[N@H+](C)C[C@@H](O)CC(F)(F)F ZINC000469775251 565027353 /nfs/dbraw/zinc/02/73/53/565027353.db2.gz JVGXPZDQWFOIPG-DOMZBBRYSA-N 1 0 380.432 2.533 20 0 GFADRO C[C@@H](NC(=O)NC[C@H](C)C[NH+]1CCCCC1)c1ncc(Br)cn1 ZINC000562395941 565027611 /nfs/dbraw/zinc/02/76/11/565027611.db2.gz QNXHFPWZJIUKOI-QWHCGFSZSA-N 1 0 384.322 2.721 20 0 GFADRO COC(=O)[C@@H]1CC[N@H+]([C@H](C)C(=O)N(C)Cc2ccc(Br)cc2)[C@@H]1C ZINC000469851304 565030434 /nfs/dbraw/zinc/03/04/34/565030434.db2.gz YQIVLGDPPPAUED-XJKCOSOUSA-N 1 0 397.313 2.679 20 0 GFADRO CC[NH+]1CCC(CNC(=O)C(=O)Nc2cc(Cl)c(Cl)cc2F)CC1 ZINC000562509194 565031567 /nfs/dbraw/zinc/03/15/67/565031567.db2.gz SKBZQGADRNKPHP-UHFFFAOYSA-N 1 0 376.259 2.919 20 0 GFADRO Ic1ccc(N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)nc1 ZINC000562529853 565032377 /nfs/dbraw/zinc/03/23/77/565032377.db2.gz WONVFCUJBYWRDJ-KGLIPLIRSA-N 1 0 387.265 2.742 20 0 GFADRO CC(C)[NH+](CCNC(=O)N[C@@H](CO)c1ccc(Br)cc1)C(C)C ZINC000504068224 565034008 /nfs/dbraw/zinc/03/40/08/565034008.db2.gz MVUBVRBOXOVDNY-INIZCTEOSA-N 1 0 386.334 2.901 20 0 GFADRO CC(C)c1cc(Br)ccc1NC(=O)C(=O)NCC(C)(C)[NH+](C)C ZINC000536339770 565035481 /nfs/dbraw/zinc/03/54/81/565035481.db2.gz FYBVIZYXOWMLPK-UHFFFAOYSA-N 1 0 384.318 2.967 20 0 GFADRO C[C@@H](Oc1ccc(Cl)c(Cl)c1)C(=O)N1CCC[N@@H+]([C@H](C)CO)CC1 ZINC000470049624 565036327 /nfs/dbraw/zinc/03/63/27/565036327.db2.gz GGNHBIVEIFSCLD-CHWSQXEVSA-N 1 0 375.296 2.676 20 0 GFADRO CCCC[N@H+](C)CCNC(=O)C(=O)Nc1ccc(Cl)c(OC(F)F)c1 ZINC000504367534 565038828 /nfs/dbraw/zinc/03/88/28/565038828.db2.gz GAWXWYWSEXCKQT-UHFFFAOYSA-N 1 0 377.819 2.728 20 0 GFADRO CCc1csc(-n2cc(C(=O)NC[C@H](c3ccsc3)[NH+](C)C)cn2)n1 ZINC000536505069 565038956 /nfs/dbraw/zinc/03/89/56/565038956.db2.gz KVQQIBSKLPIEGW-OAHLLOKOSA-N 1 0 375.523 2.985 20 0 GFADRO C[C@@H]1CN(C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)CCN1CC(F)(F)F ZINC000536500962 565039345 /nfs/dbraw/zinc/03/93/45/565039345.db2.gz CQOLRPPJHRGCNX-OCCSQVGLSA-N 1 0 378.464 2.629 20 0 GFADRO CO[C@@]1(C[NH2+]Cc2cc(Br)cc(Br)c2N)CCOC1 ZINC000470336028 565043169 /nfs/dbraw/zinc/04/31/69/565043169.db2.gz HIDNUDHOYKTNPF-CYBMUJFWSA-N 1 0 394.107 2.689 20 0 GFADRO Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)[NH2+]C[C@H]1CS(=O)(=O)CCO1 ZINC000536853335 565048529 /nfs/dbraw/zinc/04/85/29/565048529.db2.gz PPTKWRGQYBRSPF-ABAIWWIYSA-N 1 0 384.498 2.722 20 0 GFADRO O=C(NCCNc1cc[nH+]cc1)c1cc(Br)cc(Br)c1 ZINC000536945462 565050440 /nfs/dbraw/zinc/05/04/40/565050440.db2.gz CJGBUXSTAXEVQF-UHFFFAOYSA-N 1 0 399.086 2.870 20 0 GFADRO Cc1sc(C[NH2+]C[C@H](O)CN2CCOCC2)nc1-c1ccc(Cl)cc1 ZINC000562984572 565050812 /nfs/dbraw/zinc/05/08/12/565050812.db2.gz GSHDFVCFELQUHX-INIZCTEOSA-N 1 0 381.929 2.555 20 0 GFADRO C[C@@H]1CC[C@@H](C[NH2+]C[C@@H](O)COc2ccc(Cl)cc2Br)O1 ZINC000562998278 565051464 /nfs/dbraw/zinc/05/14/64/565051464.db2.gz DXQGLJRDUXHKHL-RTXFEEFZSA-N 1 0 378.694 2.999 20 0 GFADRO CN(C)Cc1ccc(NC(=O)c2cc([C@H]3CC[NH2+]C3)[nH]n2)cc1Br ZINC000563096334 565055375 /nfs/dbraw/zinc/05/53/75/565055375.db2.gz BCGYTPSKBWSIIG-NSHDSACASA-N 1 0 392.301 2.563 20 0 GFADRO C[C@H]([NH2+]CCN1C[C@H]2CC[C@@H](C1)O2)c1cc2c(cc1Br)OCCO2 ZINC000537290626 565056855 /nfs/dbraw/zinc/05/68/55/565056855.db2.gz LKYGLCCJYAQTRK-MELADBBJSA-N 1 0 397.313 2.734 20 0 GFADRO CC[N@@H+]1C[C@H](C)N(C(=O)c2cccnc2-n2cc(Br)cn2)C[C@H]1C ZINC000563154807 565057329 /nfs/dbraw/zinc/05/73/29/565057329.db2.gz MMDBWVVKSQHRJS-OLZOCXBDSA-N 1 0 392.301 2.585 20 0 GFADRO NC(=O)N[C@H]1CC[N@H+](Cc2cnc(-c3ccc(Br)cc3)s2)C1 ZINC000537696284 565061866 /nfs/dbraw/zinc/06/18/66/565061866.db2.gz GAGFWKJWVLEDBA-LBPRGKRZSA-N 1 0 381.299 2.815 20 0 GFADRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)c1cc(F)c(Cl)c(N)c1Cl ZINC000635830891 565077275 /nfs/dbraw/zinc/07/72/75/565077275.db2.gz TVVIWEADXCWOSP-VIFPVBQESA-N 1 0 378.275 2.632 20 0 GFADRO COCCOCC[N@H+](C)CCC(=O)Nc1cc(Br)c(F)cc1C ZINC000635843823 565077459 /nfs/dbraw/zinc/07/74/59/565077459.db2.gz DRVUMMJVEHISKQ-UHFFFAOYSA-N 1 0 391.281 2.820 20 0 GFADRO CC(C)[N@H+](C)CC(=O)N(CCc1ccc(Cl)cc1)C[C@H](O)C(F)(F)F ZINC000584441778 565080130 /nfs/dbraw/zinc/08/01/30/565080130.db2.gz DHTCLUGABKHBDX-HNNXBMFYSA-N 1 0 380.838 2.975 20 0 GFADRO Cc1c(F)c(Br)ccc1C(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000613790879 565080160 /nfs/dbraw/zinc/08/01/60/565080160.db2.gz UGCXCHOFSXFKHC-LLVKDONJSA-N 1 0 387.293 2.814 20 0 GFADRO O=S1(=O)CC[C@H]([NH2+][C@@H]2CCc3nc[nH]c3C2)c2cc(Br)ccc21 ZINC000584499419 565084442 /nfs/dbraw/zinc/08/44/42/565084442.db2.gz KTKMSVQDFDFOAP-YPMHNXCESA-N 1 0 396.310 2.538 20 0 GFADRO O=C(NCC12CCC[NH+]1CCC2)c1cnn(-c2ccc(Br)cc2)c1 ZINC000684848399 565084744 /nfs/dbraw/zinc/08/47/44/565084744.db2.gz SKFWGYRUCQCNLZ-UHFFFAOYSA-N 1 0 389.297 2.993 20 0 GFADRO C[N@@H+]1CC[C@H](CC(=O)NCc2c(Br)cncc2Br)C1 ZINC000635975892 565084913 /nfs/dbraw/zinc/08/49/13/565084913.db2.gz DAZNWLPXPAHYGT-SECBINFHSA-N 1 0 391.107 2.565 20 0 GFADRO O=C(NCC12CCC[NH+]1CCC2)c1cc(Br)c2c(c1)OCCO2 ZINC000684848398 565085148 /nfs/dbraw/zinc/08/51/48/565085148.db2.gz WVBUAHUJCAVZBZ-UHFFFAOYSA-N 1 0 381.270 2.579 20 0 GFADRO CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccncc1Br ZINC000684892368 565086777 /nfs/dbraw/zinc/08/67/77/565086777.db2.gz JPEKGJKSUVBPSF-GOSISDBHSA-N 1 0 376.298 2.917 20 0 GFADRO CN(CC[NH+](C)C)c1ccc(Br)cc1NC(=O)c1coc(CO)c1 ZINC000636067022 565089258 /nfs/dbraw/zinc/08/92/58/565089258.db2.gz ZUMLGGBMTOLOQZ-UHFFFAOYSA-N 1 0 396.285 2.785 20 0 GFADRO C[NH+]1CC2(C1)CCN(C(=O)c1[nH]nc(-c3ccccc3)c1Br)C2 ZINC000614039185 565091176 /nfs/dbraw/zinc/09/11/76/565091176.db2.gz QEGOLYVOTFBNDV-UHFFFAOYSA-N 1 0 375.270 2.617 20 0 GFADRO COc1ccc([C@@H]([NH2+]CC(=O)N2CCOCC2)C(C)C)c(Br)c1 ZINC000584689703 565091861 /nfs/dbraw/zinc/09/18/61/565091861.db2.gz ATBAWKOECBSSLQ-KRWDZBQOSA-N 1 0 385.302 2.603 20 0 GFADRO Cc1sc2ncnc(SCCC(=O)N3CCC4(C[NH+](C)C4)C3)c2c1C ZINC000614039251 565091971 /nfs/dbraw/zinc/09/19/71/565091971.db2.gz SGHPRYFQTAGOTK-UHFFFAOYSA-N 1 0 376.551 2.954 20 0 GFADRO CC(C)(C[NH2+]Cc1cnc2ccc(Br)cn12)C1(O)CCOCC1 ZINC000584709702 565093367 /nfs/dbraw/zinc/09/33/67/565093367.db2.gz CFUVIEVOGMFXOD-UHFFFAOYSA-N 1 0 382.302 2.754 20 0 GFADRO CC1(C)[C@H]([NH2+]C[C@H](O)COc2cccc(Br)c2)[C@@H]2CCCO[C@H]21 ZINC000584761886 565095827 /nfs/dbraw/zinc/09/58/27/565095827.db2.gz YKAJYCDTBKYEOE-QMCVQRASSA-N 1 0 384.314 2.982 20 0 GFADRO Cc1c(Br)cncc1C[NH2+]Cc1ccc(N2CCOCC2)nc1 ZINC000657302530 565096125 /nfs/dbraw/zinc/09/61/25/565096125.db2.gz YUFPCLNDEVSHNT-UHFFFAOYSA-N 1 0 377.286 2.674 20 0 GFADRO C[NH+]1CCN(c2ccc(NCc3c(F)cncc3Br)nc2)CC1 ZINC000657322527 565097922 /nfs/dbraw/zinc/09/79/22/565097922.db2.gz RBIFRZYJTVFFTO-UHFFFAOYSA-N 1 0 380.265 2.742 20 0 GFADRO OC[C@@H](C[NH2+]Cc1cn(C2CCC2)nn1)Cc1ccc(Br)cc1 ZINC000657449311 565101882 /nfs/dbraw/zinc/10/18/82/565101882.db2.gz UAYIXABGBFXNRG-CQSZACIVSA-N 1 0 379.302 2.706 20 0 GFADRO CN1CCN([C@@H](CNC(=O)c2ccc([O-])c(Cl)c2)c2cccs2)CC1 ZINC000614232003 565103038 /nfs/dbraw/zinc/10/30/38/565103038.db2.gz BOMVBWGGMQLSIV-HNNXBMFYSA-N 1 0 379.913 2.826 20 0 GFADRO C[C@@H](O)C[NH+]1CCN(Cc2cc(Br)cc(Br)c2)CC1 ZINC000685416161 565105378 /nfs/dbraw/zinc/10/53/78/565105378.db2.gz GPQZPSLHADYDGQ-LLVKDONJSA-N 1 0 392.135 2.710 20 0 GFADRO Cc1c(F)c(Br)ccc1NC(=O)C(=O)NCCC[N@@H+](C)C(C)C ZINC000657522274 565106265 /nfs/dbraw/zinc/10/62/65/565106265.db2.gz JODHLOWVXUIIOO-UHFFFAOYSA-N 1 0 388.281 2.682 20 0 GFADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+][C@@H]1COC(C)(C)C1 ZINC000657529958 565106282 /nfs/dbraw/zinc/10/62/82/565106282.db2.gz CADXDEOBRWQDDG-RISCZKNCSA-N 1 0 385.302 2.620 20 0 GFADRO Cc1c(F)c(Br)ccc1NC(=O)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000657516082 565106380 /nfs/dbraw/zinc/10/63/80/565106380.db2.gz CRBAPIXCIFILSW-UHFFFAOYSA-N 1 0 398.276 2.578 20 0 GFADRO CCS(=O)(=O)N1CCC([C@@H](C)[N@H+](C)Cc2nc3c(s2)CCCC3)CC1 ZINC000685475324 565108411 /nfs/dbraw/zinc/10/84/11/565108411.db2.gz JFVIQCSWNDXDRP-CQSZACIVSA-N 1 0 385.599 2.904 20 0 GFADRO COc1ccc(F)c(C[NH2+]CCNC(=O)c2ccc(Br)cn2)c1 ZINC000657564289 565108524 /nfs/dbraw/zinc/10/85/24/565108524.db2.gz PWRNCWYWRAUJHD-UHFFFAOYSA-N 1 0 382.233 2.511 20 0 GFADRO O=C(NCC[NH2+]Cc1cnc(C2CC2)s1)c1ccc(Br)cn1 ZINC000657564335 565108651 /nfs/dbraw/zinc/10/86/51/565108651.db2.gz UHMLLGDNYLJDLH-UHFFFAOYSA-N 1 0 381.299 2.698 20 0 GFADRO CC[NH+](CC)CC[C@@H](CO)NC(=O)Cc1c(Cl)cccc1Br ZINC000614348963 565109718 /nfs/dbraw/zinc/10/97/18/565109718.db2.gz RAYGVOHCXUKSRU-LBPRGKRZSA-N 1 0 391.737 2.854 20 0 GFADRO COc1cc(C[NH2+][C@H](CO)[C@H]2CCC[C@@H](OC)C2)cc(Br)c1O ZINC000657580334 565110343 /nfs/dbraw/zinc/11/03/43/565110343.db2.gz ZQWMIUCQYDHDLB-GZBFAFLISA-N 1 0 388.302 2.819 20 0 GFADRO C[N@H+](C[C@@H](O)CN1CCc2[nH]c3ccc(Br)cc3c2C1)C1CC1 ZINC000685567992 565111882 /nfs/dbraw/zinc/11/18/82/565111882.db2.gz CSWGGADEHXDWDC-CQSZACIVSA-N 1 0 378.314 2.744 20 0 GFADRO C[C@H]1c2ccccc2C[C@H]1[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000657616518 565113001 /nfs/dbraw/zinc/11/30/01/565113001.db2.gz KOQUKWMAZNTYKS-MEDUHNTESA-N 1 0 395.322 2.915 20 0 GFADRO CC[NH+](CC)CCS(=O)(=O)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000685590215 565113055 /nfs/dbraw/zinc/11/30/55/565113055.db2.gz IQBGDALDRAQIKF-QWRGUYRKSA-N 1 0 384.386 2.721 20 0 GFADRO C[N@@H+]1CCC[C@@H]1C(=O)N(CCn1ccnc1)Cc1ccccc1Br ZINC000614441430 565113805 /nfs/dbraw/zinc/11/38/05/565113805.db2.gz ZSTVYNNJFZXLJG-QGZVFWFLSA-N 1 0 391.313 2.769 20 0 GFADRO C[NH+](C)C[C@@H](NC(=O)NCCCn1cncn1)c1ccc(Cl)c(Cl)c1 ZINC000636531603 565114372 /nfs/dbraw/zinc/11/43/72/565114372.db2.gz JCZVGIWNAWDCOT-OAHLLOKOSA-N 1 0 385.299 2.577 20 0 GFADRO O=C(C1CCCC1)N1CC[C@@H]([NH2+]Cc2cn3ccc(Br)cc3n2)C1 ZINC000685618126 565117693 /nfs/dbraw/zinc/11/76/93/565117693.db2.gz LYVIDCCUZDOQSE-OAHLLOKOSA-N 1 0 391.313 2.978 20 0 GFADRO O=C(CCn1cc(Br)cn1)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000614523625 565117977 /nfs/dbraw/zinc/11/79/77/565117977.db2.gz NQPANIRRPWBXGY-AWEZNQCLSA-N 1 0 381.274 2.582 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)C[NH2+][C@@H](C)C(C)(C)n1cncn1 ZINC000685649454 565118910 /nfs/dbraw/zinc/11/89/10/565118910.db2.gz YAQIOGHEYDWBMS-LBPRGKRZSA-N 1 0 380.290 2.701 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+][C@H]2CCc3ccc(O)cc32)cc1Br ZINC000657692640 565120433 /nfs/dbraw/zinc/12/04/33/565120433.db2.gz BEKGWUMAWYAJGU-HNNXBMFYSA-N 1 0 397.294 2.579 20 0 GFADRO CC(C)[N@H+](C)C[C@@H](C)NC(=O)C(=O)Nc1cccc(Cl)c1Br ZINC000685768098 565121982 /nfs/dbraw/zinc/12/19/82/565121982.db2.gz JOJWRCSHHLZXJM-SNVBAGLBSA-N 1 0 390.709 2.886 20 0 GFADRO O[C@H]1C[C@@H]([NH2+]Cc2ccc(Br)cc2N2CCOCC2)C12CCC2 ZINC000657706427 565121988 /nfs/dbraw/zinc/12/19/88/565121988.db2.gz PDMOZESSYARTBU-SJORKVTESA-N 1 0 381.314 2.679 20 0 GFADRO C[NH+](C)CCCOc1cnccc1CNC(=O)c1ncc(Br)s1 ZINC000685860941 565127706 /nfs/dbraw/zinc/12/77/06/565127706.db2.gz YQOJTFREFKFKTF-UHFFFAOYSA-N 1 0 399.314 2.561 20 0 GFADRO O=C(NC[C@@H]1CCCC[NH2+]1)N1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000636874134 565128611 /nfs/dbraw/zinc/12/86/11/565128611.db2.gz QPAQHTBCNFSTEA-JKSUJKDBSA-N 1 0 382.302 2.674 20 0 GFADRO C[N@@H+]1CCC[C@H](N2CCN(c3noc4ccc(Br)cc43)CC2)C1 ZINC000685908208 565130666 /nfs/dbraw/zinc/13/06/66/565130666.db2.gz VKPMKKAIAJCRQM-AWEZNQCLSA-N 1 0 379.302 2.807 20 0 GFADRO CC[C@@H](Cc1ccc(Br)cc1)[NH2+]CCC(=O)N1CCN(C)CC1 ZINC000657870769 565135078 /nfs/dbraw/zinc/13/50/78/565135078.db2.gz QFDVWUHNCPAWST-KRWDZBQOSA-N 1 0 382.346 2.524 20 0 GFADRO C[C@@H](Cc1ccc(Cl)c(C(F)(F)F)c1)[NH2+]CC1(O)CCS(=O)(=O)CC1 ZINC000657891573 565135608 /nfs/dbraw/zinc/13/56/08/565135608.db2.gz VBUKLMKOUMUFNV-NSHDSACASA-N 1 0 399.862 2.819 20 0 GFADRO C[C@H](CNS(=O)(=O)c1cc2c(cc1Cl)OCCO2)[N@@H+]1CCC[C@@H](C)C1 ZINC000588678599 565137334 /nfs/dbraw/zinc/13/73/34/565137334.db2.gz QIVSEFMVTJXVMU-CHWSQXEVSA-N 1 0 388.917 2.510 20 0 GFADRO C[C@@H]([NH2+][C@@H](C)Cn1cncn1)c1ccc(Br)cc1OCCCO ZINC000658018276 565146065 /nfs/dbraw/zinc/14/60/65/565146065.db2.gz PYQOTNFFSZCFKD-QWHCGFSZSA-N 1 0 383.290 2.541 20 0 GFADRO Cn1ccc([C@H]([NH2+]CCC2(CS(C)(=O)=O)CC2)c2ccc(Cl)cc2)n1 ZINC000658082239 565149385 /nfs/dbraw/zinc/14/93/85/565149385.db2.gz XPOYAUQBTSIRAH-QGZVFWFLSA-N 1 0 381.929 2.967 20 0 GFADRO C[C@H]([NH2+]CCC1(CS(C)(=O)=O)CC1)c1ccc(-n2cncn2)cc1Cl ZINC000658078499 565149516 /nfs/dbraw/zinc/14/95/16/565149516.db2.gz QYNUPZHCNUBFNG-ZDUSSCGKSA-N 1 0 382.917 2.786 20 0 GFADRO OCCO[C@]1(C[NH2+][C@@H](c2ccc(Br)s2)C2CC2)CCOC1 ZINC000658144953 565153082 /nfs/dbraw/zinc/15/30/82/565153082.db2.gz PKPUSYJXRPZZMI-CABCVRRESA-N 1 0 376.316 2.719 20 0 GFADRO OCCO[C@@]1(C[NH2+][C@H]2CCCCc3ccc(Br)cc32)CCOC1 ZINC000658144002 565153243 /nfs/dbraw/zinc/15/32/43/565153243.db2.gz JWIXNELGFMBKTB-ZWKOTPCHSA-N 1 0 384.314 2.974 20 0 GFADRO CC(C)[C@H](Cc1ccc(Br)cc1)[NH2+]C[C@@]1(OCCO)CCOC1 ZINC000658146411 565153486 /nfs/dbraw/zinc/15/34/86/565153486.db2.gz UXPOECJDBWMEQK-ROUUACIJSA-N 1 0 386.330 2.774 20 0 GFADRO COc1ncc(Br)cc1CNC(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1 ZINC000637406915 565154073 /nfs/dbraw/zinc/15/40/73/565154073.db2.gz LIZIPPILVGGQSE-LBPRGKRZSA-N 1 0 399.333 2.724 20 0 GFADRO C[C@H](C(=O)N1CCOC[C@H]1[C@H]1CCC[N@@H+]1C)c1cccc(Br)c1 ZINC000615268679 565155350 /nfs/dbraw/zinc/15/53/50/565155350.db2.gz WYRUXOOUSAURQZ-XKQJLSEDSA-N 1 0 381.314 2.874 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)CCn1cc(Br)cn1)c1cccc(F)c1 ZINC000615331194 565157966 /nfs/dbraw/zinc/15/79/66/565157966.db2.gz JQJOVHYDZHOCDC-HNNXBMFYSA-N 1 0 383.265 2.594 20 0 GFADRO Cc1cncc(CC[NH2+][C@H](C)c2cc(S(N)(=O)=O)c(Cl)cc2Cl)n1 ZINC000658263525 565158081 /nfs/dbraw/zinc/15/80/81/565158081.db2.gz ZIYVYWSAUHZGPC-SNVBAGLBSA-N 1 0 389.308 2.633 20 0 GFADRO CCC[N@@H+]1CC[C@@H](N[C@@H](C)c2cc(S(N)(=O)=O)c(Cl)cc2Cl)C1 ZINC000658284973 565158754 /nfs/dbraw/zinc/15/87/54/565158754.db2.gz IQOXXISAEFNRPU-WDEREUQCSA-N 1 0 380.341 2.776 20 0 GFADRO C[NH+](C)C[C@@H](NC(=O)N1CC[C@@](F)(CO)C1)c1ccc(Cl)c(Cl)c1 ZINC000637471728 565158870 /nfs/dbraw/zinc/15/88/70/565158870.db2.gz CDGGRANXNDQVRR-ZBFHGGJFSA-N 1 0 378.275 2.712 20 0 GFADRO CSC1(CNS(=O)(=O)c2ccc(Br)s2)CC[NH+](C)CC1 ZINC000589295542 565159883 /nfs/dbraw/zinc/15/98/83/565159883.db2.gz HSWMQGQQUUEWOW-UHFFFAOYSA-N 1 0 399.401 2.616 20 0 GFADRO CCN(C(=O)C(=O)Nc1ccc(Cl)cc1Br)[C@@H]1CC[N@H+](C)C1 ZINC000658362819 565161076 /nfs/dbraw/zinc/16/10/76/565161076.db2.gz SSKDBPAAPXVSRB-LLVKDONJSA-N 1 0 388.693 2.594 20 0 GFADRO O=C(NCc1ccsc1C(F)(F)F)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000637594475 565163310 /nfs/dbraw/zinc/16/33/10/565163310.db2.gz IFQUJRCMQVQWKH-STQMWFEESA-N 1 0 377.432 2.508 20 0 GFADRO CC[C@H]([NH3+])CNS(=O)(=O)c1cc(Cl)c(Cl)cc1Br ZINC000658381022 565164718 /nfs/dbraw/zinc/16/47/18/565164718.db2.gz PQURUUAHVNKYRI-LURJTMIESA-N 1 0 376.103 2.772 20 0 GFADRO COC(C)(C)c1nc(C)c(C(=O)N2C[C@@H](SC)[C@@H]([NH+]3CCCC3)C2)s1 ZINC000589487353 565164809 /nfs/dbraw/zinc/16/48/09/565164809.db2.gz XGTDNXTXVZPUKV-UONOGXRCSA-N 1 0 383.583 2.985 20 0 GFADRO [NH3+]CC12CC(C1)CN2S(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000658397226 565166903 /nfs/dbraw/zinc/16/69/03/565166903.db2.gz SDVQZXHYABEFJZ-UHFFFAOYSA-N 1 0 388.333 2.836 20 0 GFADRO CC(C)[C@H]([NH3+])CCNS(=O)(=O)Cc1ccc(Cl)cc1Br ZINC000658407318 565167943 /nfs/dbraw/zinc/16/79/43/565167943.db2.gz OFKFMHOFBACKPD-CYBMUJFWSA-N 1 0 383.739 2.895 20 0 GFADRO Cc1cc(F)c(Br)cc1S(=O)(=O)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000658401898 565168256 /nfs/dbraw/zinc/16/82/56/565168256.db2.gz IGGFULJGELSCDD-LLVKDONJSA-N 1 0 391.306 2.850 20 0 GFADRO O=C(N[C@H]1CCC[N@@H+](CCCO)C1)c1c(Cl)cccc1Br ZINC000615660278 565169343 /nfs/dbraw/zinc/16/93/43/565169343.db2.gz SPIBNXMAWFJIHG-NSHDSACASA-N 1 0 375.694 2.679 20 0 GFADRO C[C@@H](CCNC(=O)C(=O)Nc1cc(F)ccc1SCC(F)F)[NH+](C)C ZINC000658422822 565169707 /nfs/dbraw/zinc/16/97/07/565169707.db2.gz HADQXDHKHDGSDA-JTQLQIEISA-N 1 0 377.432 2.578 20 0 GFADRO C[C@@H](CCc1ccc(I)cc1)[NH2+]C1COCCOC1 ZINC000589949740 565173484 /nfs/dbraw/zinc/17/34/84/565173484.db2.gz MAANEFLUTQYMHH-LBPRGKRZSA-N 1 0 375.250 2.617 20 0 GFADRO C[C@H](CCc1ccc(I)cc1)[NH2+]C1COCCOC1 ZINC000589949739 565173864 /nfs/dbraw/zinc/17/38/64/565173864.db2.gz MAANEFLUTQYMHH-GFCCVEGCSA-N 1 0 375.250 2.617 20 0 GFADRO Cc1cc(Br)c(C(=O)N[C@@H](C[NH3+])C2CC2)cc1Br ZINC000637855405 565174513 /nfs/dbraw/zinc/17/45/13/565174513.db2.gz VTABSRQMWJMPSU-LBPRGKRZSA-N 1 0 376.092 2.987 20 0 GFADRO CO[C@@H]1C[NH2+][C@@](C)(C(=O)Nc2nnc(SCc3ccc(F)cc3)s2)C1 ZINC000637874635 565175368 /nfs/dbraw/zinc/17/53/68/565175368.db2.gz DELSPFAUSUPFET-BLLLJJGKSA-N 1 0 382.486 2.675 20 0 GFADRO [NH3+][C@H]1CC=C(C(=O)N2CCC(C(=O)Nc3cccc(Br)c3)CC2)C1 ZINC000637969921 565179257 /nfs/dbraw/zinc/17/92/57/565179257.db2.gz NSXYIBYAFIKNQR-HNNXBMFYSA-N 1 0 392.297 2.674 20 0 GFADRO C[C@H](NC(=O)CCC1C[NH2+]C1)c1nc(-c2ccc(Br)cc2)no1 ZINC000638042897 565182047 /nfs/dbraw/zinc/18/20/47/565182047.db2.gz GCCZEEKRPCNSKH-JTQLQIEISA-N 1 0 379.258 2.676 20 0 GFADRO CC[C@@H]([NH2+]C[C@H]1CC[C@@H](CO)O1)c1ccc(I)cc1 ZINC000590256807 565182423 /nfs/dbraw/zinc/18/24/23/565182423.db2.gz JKISNCKKSCLAHY-QLFBSQMISA-N 1 0 375.250 2.872 20 0 GFADRO O=C(c1cc(Br)c2nccn2c1)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000638141613 565185930 /nfs/dbraw/zinc/18/59/30/565185930.db2.gz HPKLKKHRNHZMQU-HNNXBMFYSA-N 1 0 377.286 2.701 20 0 GFADRO O=C(c1cc(Br)c2nccn2c1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000638240302 565189192 /nfs/dbraw/zinc/18/91/92/565189192.db2.gz MLJKWTQBZDXENY-ZDUSSCGKSA-N 1 0 377.286 2.559 20 0 GFADRO [NH3+]CC[C@H](NC(=O)c1scc(Br)c1Br)C(F)F ZINC000638254378 565190027 /nfs/dbraw/zinc/19/00/27/565190027.db2.gz DXQWORGNVSRXRC-YFKPBYRVSA-N 1 0 392.063 2.985 20 0 GFADRO O=C([C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000638248876 565190243 /nfs/dbraw/zinc/19/02/43/565190243.db2.gz LCCPPJCGZGMTTA-RMHMGBASSA-N 1 0 375.310 2.793 20 0 GFADRO CO[C@H]1C[NH2+][C@@](C)(C(=O)N2CCc3sc(-c4csc(C)n4)cc3C2)C1 ZINC000638308997 565190928 /nfs/dbraw/zinc/19/09/28/565190928.db2.gz BJDCHESEZRKDBW-FZKQIMNGSA-N 1 0 377.535 2.832 20 0 GFADRO CO[C@@H]1C[NH2+][C@](C)(C(=O)N2CCC(c3cccc(Br)c3)CC2)C1 ZINC000638300928 565191604 /nfs/dbraw/zinc/19/16/04/565191604.db2.gz HTOFEZSNKGHRDR-WMZOPIPTSA-N 1 0 381.314 2.922 20 0 GFADRO CC(C)Cc1ncnc(N2CC[C@H]([NH+](C)C)[C@@H]2C)c1I ZINC000590568388 565191993 /nfs/dbraw/zinc/19/19/93/565191993.db2.gz DGCIJHADIRCMFN-AAEUAGOBSA-N 1 0 388.297 2.809 20 0 GFADRO COc1cc(C(=O)N2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)ccc1Br ZINC000638338605 565192243 /nfs/dbraw/zinc/19/22/43/565192243.db2.gz CLHCEGIVZUXSTG-RDJZCZTQSA-N 1 0 397.313 2.816 20 0 GFADRO CN1CC[C@H]([NH2+][C@H]2CCCCNC2=O)C[C@@H]1c1ccc(Br)cc1 ZINC000638352315 565192626 /nfs/dbraw/zinc/19/26/26/565192626.db2.gz OJLCDDHVIQFYDV-YESZJQIVSA-N 1 0 380.330 2.843 20 0 GFADRO C[N@H+](CCCCNC(=O)c1cc(Br)cc2[nH]c(=O)[nH]c21)C1CC1 ZINC000616184878 565193520 /nfs/dbraw/zinc/19/35/20/565193520.db2.gz MURBFBWKTPVEQR-UHFFFAOYSA-N 1 0 381.274 2.635 20 0 GFADRO COCC[NH2+]C1CCN(C(=O)[C@@H]2C[C@@]2(C)c2cccc(Br)c2)CC1 ZINC000638385394 565193609 /nfs/dbraw/zinc/19/36/09/565193609.db2.gz CZJNHZVHPHALQU-HKUYNNGSSA-N 1 0 395.341 2.954 20 0 GFADRO COCC[NH2+]C1CCN(C(=O)[C@H]2[C@@H]3c4cccc(Br)c4C[C@H]23)CC1 ZINC000638387663 565193880 /nfs/dbraw/zinc/19/38/80/565193880.db2.gz YDSFIVUHBHCLPA-CGTJXYLNSA-N 1 0 393.325 2.562 20 0 GFADRO O=C(Cc1ccc(Br)c(Br)c1)NC[C@H]1CCC[NH2+]C1 ZINC000658930675 565195302 /nfs/dbraw/zinc/19/53/02/565195302.db2.gz NETRYYWZMKYZHE-NSHDSACASA-N 1 0 390.119 2.870 20 0 GFADRO COc1cc(NC(=O)[C@]2(C[NH3+])CCCOC2)c(Cl)cc1Br ZINC000638423622 565195709 /nfs/dbraw/zinc/19/57/09/565195709.db2.gz BIKVUSZKDQNWJH-AWEZNQCLSA-N 1 0 377.666 2.805 20 0 GFADRO COc1ncc(C(=O)N2CCCC[C@@H]2[C@H]2CCC[NH2+]C2)cc1Br ZINC000658943483 565195982 /nfs/dbraw/zinc/19/59/82/565195982.db2.gz UCFQIQLGQHGYPJ-SWLSCSKDSA-N 1 0 382.302 2.847 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)N1CC[C@@H](C)[C@@H]([NH3+])C1 ZINC000658971672 565197283 /nfs/dbraw/zinc/19/72/83/565197283.db2.gz WLNQUBBAJQRJBQ-ILXRZTDVSA-N 1 0 384.567 2.547 20 0 GFADRO C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)CCO1 ZINC000658999257 565198451 /nfs/dbraw/zinc/19/84/51/565198451.db2.gz YSDHHJFXCJQTRG-ZDUSSCGKSA-N 1 0 388.295 2.501 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)Nc2nnc(-c3cc(Cl)cc(Cl)c3)s2)CCO1 ZINC000659031003 565199099 /nfs/dbraw/zinc/19/90/99/565199099.db2.gz RSGZCAOTALFALE-LLVKDONJSA-N 1 0 388.280 2.703 20 0 GFADRO O=C(N[C@@H]1CC[NH2+]C12CCC2)C1CCN(C(=O)c2ccc(Cl)s2)CC1 ZINC000638505818 565199073 /nfs/dbraw/zinc/19/90/73/565199073.db2.gz XOAOKEBBOWODGT-CQSZACIVSA-N 1 0 381.929 2.655 20 0 GFADRO [NH3+]CC[C@H](NC(=O)N1CCOc2cc(Br)ccc2C1)C(F)(F)F ZINC000659023761 565199227 /nfs/dbraw/zinc/19/92/27/565199227.db2.gz NNKBRMBSJPWKHM-LBPRGKRZSA-N 1 0 396.207 2.633 20 0 GFADRO C[C@@H](C[C@H]1CCCC(=O)N1)[NH2+]CCC(=O)Nc1ccc(Br)cc1 ZINC000638492745 565199231 /nfs/dbraw/zinc/19/92/31/565199231.db2.gz ZYQUZRQZVGDGJX-SWLSCSKDSA-N 1 0 382.302 2.815 20 0 GFADRO COC1(C(=O)N[C@H](C)c2cc(F)c(Br)cc2F)CC[NH2+]CC1 ZINC000638496165 565199362 /nfs/dbraw/zinc/19/93/62/565199362.db2.gz VLLQCSXNKLWFIC-SECBINFHSA-N 1 0 377.229 2.673 20 0 GFADRO [NH3+]C[C@H](NC(=O)N1CCN(c2ccc(Cl)cc2Cl)CC1)C(F)(F)F ZINC000659025168 565199423 /nfs/dbraw/zinc/19/94/23/565199423.db2.gz OJGANQKSZOYFTL-LBPRGKRZSA-N 1 0 385.217 2.715 20 0 GFADRO Cc1cc(Br)c(Cl)cc1NC(=O)N1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000659029795 565199449 /nfs/dbraw/zinc/19/94/49/565199449.db2.gz ZQRUOPTZEWQCQU-RNCFNFMXSA-N 1 0 376.682 2.991 20 0 GFADRO Cc1cc(Br)c(Cl)cc1NC(=O)C(=O)N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000659076888 565200435 /nfs/dbraw/zinc/20/04/35/565200435.db2.gz HWOZPUXIQMUJDN-SKDRFNHKSA-N 1 0 388.693 2.545 20 0 GFADRO [NH3+]C1(CNC(=O)CCCSc2ccc(Br)cc2)CCOCC1 ZINC000638538158 565200924 /nfs/dbraw/zinc/20/09/24/565200924.db2.gz LBHABHWCHPIZSF-UHFFFAOYSA-N 1 0 387.343 2.946 20 0 GFADRO [NH3+]C1(CNC(=O)C(=O)Nc2cc(Cl)ccc2OC(F)(F)F)CCCC1 ZINC000659097983 565201411 /nfs/dbraw/zinc/20/14/11/565201411.db2.gz VITKOCYKHOVDTC-UHFFFAOYSA-N 1 0 379.766 2.565 20 0 GFADRO Cc1cc(Br)c(Cl)cc1NC(=O)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000659087400 565201550 /nfs/dbraw/zinc/20/15/50/565201550.db2.gz LQQUMXMKHKDIBM-SNVBAGLBSA-N 1 0 388.693 2.608 20 0 GFADRO O=C(C[C@@H]1C[NH2+]CCO1)N[C@@H]1CCCSc2ccc(Br)cc21 ZINC000638585498 565202468 /nfs/dbraw/zinc/20/24/68/565202468.db2.gz ZRJSSVMULUCEMD-TZMCWYRMSA-N 1 0 385.327 2.871 20 0 GFADRO C[NH2+]CCOCCNC(=O)c1ccc(Oc2cccc(Br)c2)nc1 ZINC000638577668 565202621 /nfs/dbraw/zinc/20/26/21/565202621.db2.gz CLAONRGALDRRCM-UHFFFAOYSA-N 1 0 394.269 2.602 20 0 GFADRO COc1cc(C[NH2+]C[C@H](OC)C2CCOCC2)cc(Br)c1OC ZINC000638572844 565202712 /nfs/dbraw/zinc/20/27/12/565202712.db2.gz DVABAGTYQVJUGC-INIZCTEOSA-N 1 0 388.302 2.998 20 0 GFADRO COc1ncc(Br)cc1CNC(=O)[C@@H](C)[C@@H]([NH3+])c1ccccc1 ZINC000638561362 565202829 /nfs/dbraw/zinc/20/28/29/565202829.db2.gz RVDXGGKXAGWUIB-XHDPSFHLSA-N 1 0 378.270 2.805 20 0 GFADRO CCO[C@H]1C[C@@]([NH3+])(C(=O)NCc2cc(F)c(Br)cc2F)C1(C)C ZINC000638600286 565203859 /nfs/dbraw/zinc/20/38/59/565203859.db2.gz UKNWFQKTFOMINP-XJKSGUPXSA-N 1 0 391.256 2.876 20 0 GFADRO O=C(C[C@H]1COCC[NH2+]1)N[C@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC000638597020 565203940 /nfs/dbraw/zinc/20/39/40/565203940.db2.gz VZFLXMLXPQQNOD-LRDDRELGSA-N 1 0 392.297 2.803 20 0 GFADRO C[NH+]1CCC2(CC1)CN(C(=O)c1cc3cc(Br)sc3[nH]1)CCO2 ZINC000616493576 565204624 /nfs/dbraw/zinc/20/46/24/565204624.db2.gz PKXCMOGFFVESHP-UHFFFAOYSA-N 1 0 398.326 2.929 20 0 GFADRO O=C(C[C@@H]1C[NH2+]CCO1)N[C@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC000638597308 565204761 /nfs/dbraw/zinc/20/47/61/565204761.db2.gz XINSBHSHAOBVGY-WBMJQRKESA-N 1 0 392.297 2.803 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+]C2(c3ccc(Cl)cc3)CCOCC2)cc1 ZINC000638627155 565205031 /nfs/dbraw/zinc/20/50/31/565205031.db2.gz QETRHIHEQYZVJI-UHFFFAOYSA-N 1 0 380.897 2.783 20 0 GFADRO COc1nsc(C[NH2+]CCc2cccc(C(=O)N(C)C)c2)c1Br ZINC000638629856 565205571 /nfs/dbraw/zinc/20/55/71/565205571.db2.gz QKJRXGWUHYUPIN-UHFFFAOYSA-N 1 0 398.326 2.948 20 0 GFADRO C[C@@H]1CC[C@@H](NC(=O)CCc2nc(-c3cc(Br)cs3)no2)C[NH2+]1 ZINC000638648735 565205833 /nfs/dbraw/zinc/20/58/33/565205833.db2.gz NPJVRQAETSTVMK-MWLCHTKSSA-N 1 0 399.314 2.750 20 0 GFADRO CC[C@@H]1C[N@H+](C)CCN1C(=O)Nc1ccc(Br)c(C(=O)OC)c1 ZINC000590825678 565206366 /nfs/dbraw/zinc/20/63/66/565206366.db2.gz GGDHHOKQYIKPGH-GFCCVEGCSA-N 1 0 384.274 2.794 20 0 GFADRO [NH3+]CCCOCCNC(=O)c1ccc(Oc2ccc(Br)cc2)nc1 ZINC000638661434 565206911 /nfs/dbraw/zinc/20/69/11/565206911.db2.gz QJOROFCWZRDRRC-UHFFFAOYSA-N 1 0 394.269 2.732 20 0 GFADRO CN1CCC[C@H](C[NH2+]Cc2ccc(S(N)(=O)=O)cc2)[C@H]1c1cccs1 ZINC000638670834 565207234 /nfs/dbraw/zinc/20/72/34/565207234.db2.gz LQAZUZRYUIFPGT-QAPCUYQASA-N 1 0 379.551 2.568 20 0 GFADRO C[C@H](C[NH2+]Cc1ccc(S(N)(=O)=O)cc1)Oc1ccc(Br)cc1 ZINC000638697181 565208032 /nfs/dbraw/zinc/20/80/32/565208032.db2.gz FRIAKKIFHAJNPU-GFCCVEGCSA-N 1 0 399.310 2.654 20 0 GFADRO Nc1c(Cl)cc(Cl)cc1C[NH2+]C1CCN(S(=O)(=O)C2CC2)CC1 ZINC000638755940 565209180 /nfs/dbraw/zinc/20/91/80/565209180.db2.gz IUGYMSBGSOEZRP-UHFFFAOYSA-N 1 0 378.325 2.622 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCN(C)[C@@H](c2ccc(Br)cc2)C1)[C@@H]1CN(C)CCO1 ZINC000638761663 565209401 /nfs/dbraw/zinc/20/94/01/565209401.db2.gz HQBIFHWTUXBZSW-PIKADFDJSA-N 1 0 396.373 2.893 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)c(C)c1C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000638766412 565209635 /nfs/dbraw/zinc/20/96/35/565209635.db2.gz WHXRGOXIMVLHKZ-ZUZCIYMTSA-N 1 0 377.286 2.732 20 0 GFADRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2sc3c(c2Br)CNC3)C1 ZINC000659313020 565211675 /nfs/dbraw/zinc/21/16/75/565211675.db2.gz BZXWFSWXYLIBRQ-PWSUYJOCSA-N 1 0 384.343 2.670 20 0 GFADRO C[C@@H]([NH2+]Cc1cnn2cc(Br)cnc12)[C@H](O)Cc1ccccc1 ZINC000638785777 565211947 /nfs/dbraw/zinc/21/19/47/565211947.db2.gz ZVYZUCVMZFJNHY-MLGOLLRUSA-N 1 0 375.270 2.574 20 0 GFADRO CN(C[C@@H](O)COc1cc(Cl)cc(Cl)c1)C(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000638828065 565212874 /nfs/dbraw/zinc/21/28/74/565212874.db2.gz QEJVHIQHLDXGCW-ZBFHGGJFSA-N 1 0 387.307 2.581 20 0 GFADRO [NH3+]Cc1cc(C(=O)N2CCOC[C@H]2c2cccc(Br)c2)ccn1 ZINC000659368161 565215955 /nfs/dbraw/zinc/21/59/55/565215955.db2.gz KZTSNTHALHHRFL-INIZCTEOSA-N 1 0 376.254 2.517 20 0 GFADRO O=C(c1cc(Cl)cc(Cl)c1)N1CCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638920880 565217644 /nfs/dbraw/zinc/21/76/44/565217644.db2.gz DRWIEQUTOSAGFJ-OWCLPIDISA-N 1 0 382.291 2.561 20 0 GFADRO COc1cc(Br)c(CNC(=O)NCC2([NH3+])CCCC2)cc1OC ZINC000659449129 565217732 /nfs/dbraw/zinc/21/77/32/565217732.db2.gz RXQLXMWQKXOEQZ-UHFFFAOYSA-N 1 0 386.290 2.537 20 0 GFADRO CN(C)c1ncc(Br)cc1C(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000616994843 565218403 /nfs/dbraw/zinc/21/84/03/565218403.db2.gz GIUMAGMDYXWTAE-LBPRGKRZSA-N 1 0 383.334 2.760 20 0 GFADRO C[C@H]1C[C@@H]([NH3+])CN1C(=O)c1nn(-c2cccc(Br)c2)c2c1CCC2 ZINC000638936486 565218488 /nfs/dbraw/zinc/21/84/88/565218488.db2.gz PUIIMHWLYLYLMS-WCQYABFASA-N 1 0 389.297 2.685 20 0 GFADRO Cc1n[nH]c(CC[NH2+][C@@H]2CCN(C)[C@H](c3ccc(Br)cc3)C2)n1 ZINC000638949328 565218660 /nfs/dbraw/zinc/21/86/60/565218660.db2.gz ASLIXAJHRGPBHX-CVEARBPZSA-N 1 0 378.318 2.843 20 0 GFADRO [NH3+]C[C@H]1CC[C@H](NC(=O)Cc2csc(NC(=O)c3cccs3)n2)CC1 ZINC000638947851 565218748 /nfs/dbraw/zinc/21/87/48/565218748.db2.gz IZHRRIKDLXKWTN-HAQNSBGRSA-N 1 0 378.523 2.633 20 0 GFADRO CC1(CNC(=O)N2CCOC[C@H]2c2ccc(Br)cc2)CC[NH2+]CC1 ZINC000659529378 565218745 /nfs/dbraw/zinc/21/87/45/565218745.db2.gz KRMOIFJCXUOAPC-INIZCTEOSA-N 1 0 396.329 2.922 20 0 GFADRO [NH3+][C@@H]1CCC[C@H](NC(=O)N2CCN(c3ccc(Br)cc3)CC2)C1 ZINC000659534977 565218780 /nfs/dbraw/zinc/21/87/80/565218780.db2.gz CIWQUBOUAOIVTR-CABCVRRESA-N 1 0 381.318 2.551 20 0 GFADRO [NH3+][C@@H]1CN(C(=O)NCCc2ccc(Br)cc2Cl)CC[C@H]1F ZINC000659498679 565219090 /nfs/dbraw/zinc/21/90/90/565219090.db2.gz VLQNQHRCBNCHGC-CHWSQXEVSA-N 1 0 378.673 2.726 20 0 GFADRO O=C(NC[C@@H]1C[NH2+]CCCO1)N[C@@H]1CCCCc2cc(Br)ccc21 ZINC000659548026 565219873 /nfs/dbraw/zinc/21/98/73/565219873.db2.gz CXMOCMMIOPVCQB-DOTOQJQBSA-N 1 0 396.329 2.894 20 0 GFADRO O=C(NC[C@@H]1C[NH2+]CCO1)N[C@@H]1CCCCc2cc(Br)ccc21 ZINC000659555345 565219957 /nfs/dbraw/zinc/21/99/57/565219957.db2.gz QCCHNGDCCMAJBZ-GOEBONIOSA-N 1 0 382.302 2.504 20 0 GFADRO O=C(NCC12CC(C1)C[NH2+]2)N1CCC(Oc2cccc(Br)c2)CC1 ZINC000659614704 565220888 /nfs/dbraw/zinc/22/08/88/565220888.db2.gz ABGATKGEQFHYGO-UHFFFAOYSA-N 1 0 394.313 2.754 20 0 GFADRO COc1ccc(I)c(NC(=O)NC[C@@H]2CCCC[NH2+]2)c1 ZINC000591282917 565221144 /nfs/dbraw/zinc/22/11/44/565221144.db2.gz ZXMFYYDOWRHNQV-JTQLQIEISA-N 1 0 389.237 2.563 20 0 GFADRO Cc1ccc(CNC(=O)[C@]2([NH3+])[C@H]3CCCO[C@H]3C2(C)C)cc1Br ZINC000639035279 565221686 /nfs/dbraw/zinc/22/16/86/565221686.db2.gz BEGAKXIIBLBYPF-JCKWVBRZSA-N 1 0 381.314 2.906 20 0 GFADRO O=C(NCC1CC[NH2+]CC1)Nc1ccc(F)cc1I ZINC000591288417 565221985 /nfs/dbraw/zinc/22/19/85/565221985.db2.gz JXKJWLWYSOLPLE-UHFFFAOYSA-N 1 0 377.201 2.551 20 0 GFADRO CO[C@]1(C[NH2+][C@@H]2CCN(C)[C@H](c3ccc(Br)cc3)C2)CCOC1 ZINC000639050299 565222118 /nfs/dbraw/zinc/22/21/18/565222118.db2.gz HLGCBFPZNASKGV-SQNIBIBYSA-N 1 0 383.330 2.980 20 0 GFADRO Nc1c(Cl)cc(Cl)cc1C[NH2+]Cc1ccc(S(=O)(=O)CCO)cc1 ZINC000639102316 565224894 /nfs/dbraw/zinc/22/48/94/565224894.db2.gz JAAHQZOKMDUQKD-UHFFFAOYSA-N 1 0 389.304 2.631 20 0 GFADRO CC[C@@H](CC(F)F)C[N@@H+]1CCCN(S(=O)(=O)c2c(C)noc2C)CC1 ZINC000659824694 565225340 /nfs/dbraw/zinc/22/53/40/565225340.db2.gz WFZQOMRETLBUDZ-AWEZNQCLSA-N 1 0 379.473 2.669 20 0 GFADRO Cn1cc(CCC[NH2+]Cc2ccc(S(C)(=O)=O)c(C(F)(F)F)c2)cn1 ZINC000639110831 565226435 /nfs/dbraw/zinc/22/64/35/565226435.db2.gz RCHKDIINXALGDM-UHFFFAOYSA-N 1 0 375.416 2.565 20 0 GFADRO C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCC[N@@H+]2Cc2ccc(S(N)(=O)=O)c(Cl)c2)C1 ZINC000639134236 565227017 /nfs/dbraw/zinc/22/70/17/565227017.db2.gz HTTYOSHHXNKMGG-QCPWZWHMSA-N 1 0 386.945 2.749 20 0 GFADRO COc1nsc(C[NH2+]C[C@H]2CCC3(CCOCC3)[C@H]2O)c1Br ZINC000639144292 565228498 /nfs/dbraw/zinc/22/84/98/565228498.db2.gz UXZGXDNQLDQYGZ-MFKMUULPSA-N 1 0 391.331 2.572 20 0 GFADRO Nc1ccc(S(=O)(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)c(F)c1 ZINC000659899855 565229356 /nfs/dbraw/zinc/22/93/56/565229356.db2.gz KPZMZLUMNNKVHN-CYBMUJFWSA-N 1 0 383.514 2.660 20 0 GFADRO CN1CC[C@@H]([NH2+]CCN2CCCOCC2)C[C@@H]1c1ccc(Br)cc1 ZINC000639175191 565230531 /nfs/dbraw/zinc/23/05/31/565230531.db2.gz ILSFCWOQFKFIMR-RTBURBONSA-N 1 0 396.373 2.896 20 0 GFADRO COCCN(Cc1cnn2cc(Br)cnc12)Cc1ccccn1 ZINC000639169267 565230536 /nfs/dbraw/zinc/23/05/36/565230536.db2.gz JASSEBYPOQNACK-UHFFFAOYSA-N 1 0 376.258 2.535 20 0 GFADRO CC1(C)C[NH2+][C@H]1C(=O)NCc1cc(Cl)cc(I)c1 ZINC000591687967 565236171 /nfs/dbraw/zinc/23/61/71/565236171.db2.gz VRZUSXWPDGAKRM-NSHDSACASA-N 1 0 378.641 2.559 20 0 GFADRO CN1CC[C@@H]([NH2+][C@@H]2CC[C@H](C(N)=O)C2)C[C@@H]1c1ccc(Br)cc1 ZINC000639252481 565236522 /nfs/dbraw/zinc/23/65/22/565236522.db2.gz JDXWTMFJYRZSCT-RKTXRCNFSA-N 1 0 380.330 2.828 20 0 GFADRO COC(=O)C1CCC([NH2+]C[C@H](O)COc2ccc(Br)cc2)CC1 ZINC000591736245 565237464 /nfs/dbraw/zinc/23/74/64/565237464.db2.gz LQVAGWQCDCHRNB-ZALBZXLWSA-N 1 0 386.286 2.510 20 0 GFADRO CCCC[N@H+](Cc1ccc(S(N)(=O)=O)cc1)[C@H]1CCc2ncsc2C1 ZINC000639287119 565237503 /nfs/dbraw/zinc/23/75/03/565237503.db2.gz IDTPTYPLDWJJNN-HNNXBMFYSA-N 1 0 379.551 2.950 20 0 GFADRO Cc1ncsc1CCS(=O)(=O)N1CCC2(CCC([NH+](C)C)CC2)CC1 ZINC000660006293 565237634 /nfs/dbraw/zinc/23/76/34/565237634.db2.gz MIMVGGFTSUPSOS-UHFFFAOYSA-N 1 0 385.599 2.910 20 0 GFADRO COc1nsc(C[NH2+][C@H](CO)[C@H]2CCC[C@@H](OC)C2)c1Br ZINC000639306734 565239737 /nfs/dbraw/zinc/23/97/37/565239737.db2.gz IFKUUEIWVBMFIB-HBNTYKKESA-N 1 0 379.320 2.570 20 0 GFADRO CN1CC[C@@H]([NH2+]C[C@H]2COCCN2C)C[C@@H]1c1ccc(Br)cc1 ZINC000639352703 565241014 /nfs/dbraw/zinc/24/10/14/565241014.db2.gz QFCCVPKAQTUPGD-FGTMMUONSA-N 1 0 382.346 2.505 20 0 GFADRO CN1CCOC[C@@H]1C[NH2+][C@H]1CCN(C)[C@H](c2ccc(Br)cc2)C1 ZINC000639352702 565241323 /nfs/dbraw/zinc/24/13/23/565241323.db2.gz QFCCVPKAQTUPGD-BZSNNMDCSA-N 1 0 382.346 2.505 20 0 GFADRO C[C@@]12C[NH+](Cc3cnc(-c4ccc(Cl)cc4)s3)C[C@@]1(C)C(=O)NC2=O ZINC000639364016 565242104 /nfs/dbraw/zinc/24/21/04/565242104.db2.gz FZGOSFDEWKGVLT-ROUUACIJSA-N 1 0 375.881 2.948 20 0 GFADRO CO[C@H](C[N@H+](C)C[C@H](O)COc1cc(Cl)cc(Cl)c1)[C@H]1CCOC1 ZINC000639359217 565242568 /nfs/dbraw/zinc/24/25/68/565242568.db2.gz BDADZXZIOMQLFN-YLQAJVPDSA-N 1 0 378.296 2.716 20 0 GFADRO CCN(C(=O)c1ccn(-c2ccc(Br)cc2)n1)[C@@H]1CC[N@H+](C)C1 ZINC000617550378 565245947 /nfs/dbraw/zinc/24/59/47/565245947.db2.gz QKELWHXGVMTREY-OAHLLOKOSA-N 1 0 377.286 2.801 20 0 GFADRO CCN(C(=O)c1cn(-c2ccc(Br)cc2)cn1)[C@H]1CC[N@H+](C)C1 ZINC000617553266 565246099 /nfs/dbraw/zinc/24/60/99/565246099.db2.gz FDZHCYULXGUCHB-HNNXBMFYSA-N 1 0 377.286 2.801 20 0 GFADRO CCN(C(=O)c1cn(Cc2ccc(Cl)cc2Cl)nn1)[C@@H]1CC[N@H+](C)C1 ZINC000617561454 565247022 /nfs/dbraw/zinc/24/70/22/565247022.db2.gz LRZYDNQVMZGPAQ-CQSZACIVSA-N 1 0 382.295 2.799 20 0 GFADRO CC(C)(COc1ncccc1Br)[NH2+]CC(=O)Nc1ccccn1 ZINC000639557068 565249714 /nfs/dbraw/zinc/24/97/14/565249714.db2.gz CHDRXEQZXWPOGN-UHFFFAOYSA-N 1 0 379.258 2.625 20 0 GFADRO CC(C)c1ccc(Cl)c(S(=O)(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)c1 ZINC000660089402 565250731 /nfs/dbraw/zinc/25/07/31/565250731.db2.gz BBUIPYMIWFEVEB-MRXNPFEDSA-N 1 0 386.945 2.683 20 0 GFADRO O=C(NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1ccc(Br)cc1 ZINC000617696306 565252203 /nfs/dbraw/zinc/25/22/03/565252203.db2.gz GGGNYICTLVWWOB-GOSISDBHSA-N 1 0 389.293 2.946 20 0 GFADRO CCN(CC(F)(F)F)C(=O)C[NH2+][C@H](C)C1CCN(CC(F)(F)F)CC1 ZINC000639628473 565252503 /nfs/dbraw/zinc/25/25/03/565252503.db2.gz HUQNYSKNCKVLKT-LLVKDONJSA-N 1 0 377.373 2.650 20 0 GFADRO COCC[N@@H+]1CCC[C@@H](NC(=O)CCc2ccc(Br)cc2F)C1 ZINC000592098036 565256132 /nfs/dbraw/zinc/25/61/32/565256132.db2.gz WFNOFOSGQJDMGN-OAHLLOKOSA-N 1 0 387.293 2.748 20 0 GFADRO C[NH+]1CCC2(CCN([C@@H](C(N)=O)c3ccc(Br)cc3F)C2)CC1 ZINC000639757707 565258196 /nfs/dbraw/zinc/25/81/96/565258196.db2.gz OWZNBWAMSZXWRX-OAHLLOKOSA-N 1 0 384.293 2.532 20 0 GFADRO Cc1ccc(S(=O)(=O)N2CC3(CCCC3)OC[C@@H]2C[NH+](C)C)c(Cl)c1 ZINC000660149108 565259366 /nfs/dbraw/zinc/25/93/66/565259366.db2.gz ACHDTQDGTBZKFL-HNNXBMFYSA-N 1 0 386.945 2.912 20 0 GFADRO Cc1cc(S(=O)(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)c(Cl)cc1F ZINC000660157021 565262220 /nfs/dbraw/zinc/26/22/20/565262220.db2.gz NJUMLWJUKTXJQU-ZDUSSCGKSA-N 1 0 378.897 2.519 20 0 GFADRO COC(=O)CN(CCc1ccc(Cl)cc1Cl)C(=O)CC1CC[NH2+]CC1 ZINC000592272192 565265562 /nfs/dbraw/zinc/26/55/62/565265562.db2.gz KTRKQULXGWWGPB-UHFFFAOYSA-N 1 0 387.307 2.927 20 0 GFADRO CCN(C(=O)c1cnc2ccc(Br)cc2c1O)[C@@H]1CC[N@H+](CC)C1 ZINC000617927990 565267804 /nfs/dbraw/zinc/26/78/04/565267804.db2.gz HKKFXNDSCLMLMG-CYBMUJFWSA-N 1 0 392.297 2.847 20 0 GFADRO C[N@@H+]1CCC[C@H](NC(=O)Nc2cc(Br)ccc2N2CCOCC2)C1 ZINC000617930124 565268081 /nfs/dbraw/zinc/26/80/81/565268081.db2.gz HAQNMCHVGOUHEP-AWEZNQCLSA-N 1 0 397.317 2.501 20 0 GFADRO CC1([NH3+])CCN(C(=O)c2cc(F)c(F)cc2I)CC1 ZINC000592328483 565270424 /nfs/dbraw/zinc/27/04/24/565270424.db2.gz JWCGBGLPSBNCGA-UHFFFAOYSA-N 1 0 380.176 2.523 20 0 GFADRO CC(C)(C[NH2+]Cc1ccc(F)cc1I)[C@@]1(O)CCOC1 ZINC000592374770 565272374 /nfs/dbraw/zinc/27/23/74/565272374.db2.gz ILGXITCHIPHSOH-OAHLLOKOSA-N 1 0 393.240 2.698 20 0 GFADRO COc1ccc(Cl)cc1NC(=O)CC[N@@H+]1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000640041743 565276561 /nfs/dbraw/zinc/27/65/61/565276561.db2.gz DCYDYWCZNJSBOH-CMPLNLGQSA-N 1 0 380.794 2.780 20 0 GFADRO CN(Cc1ccc(Br)cc1)C(=O)c1cnn2c1[C@@H](C[NH3+])CCC2 ZINC000592478161 565278728 /nfs/dbraw/zinc/27/87/28/565278728.db2.gz DTWNLTHUBSIQCI-CYBMUJFWSA-N 1 0 377.286 2.754 20 0 GFADRO COC(=O)CC[C@@H]([NH3+])C(=O)N[C@@H](c1ccc(Br)cc1)C1CCC1 ZINC000592499239 565280023 /nfs/dbraw/zinc/28/00/23/565280023.db2.gz VKFNCBYYWOFBDP-GDBMZVCRSA-N 1 0 383.286 2.687 20 0 GFADRO C[C@H](Cc1cccc(Br)c1)NC(=O)c1cnn2c1[C@@H](C[NH3+])CCC2 ZINC000592498773 565280081 /nfs/dbraw/zinc/28/00/81/565280081.db2.gz FDVOGQRNGGOCEH-TZMCWYRMSA-N 1 0 391.313 2.843 20 0 GFADRO [NH3+]C[C@@H]1CCCn2ncc(C(=O)N[C@@H]3CCc4cc(Br)ccc43)c21 ZINC000592501827 565280179 /nfs/dbraw/zinc/28/01/79/565280179.db2.gz OBJMTMYGNWQAFC-BLLLJJGKSA-N 1 0 389.297 2.899 20 0 GFADRO O=C(N[C@H]1CC[NH2+]C2(CCC2)C1)c1ccc(I)c(F)c1 ZINC000592568985 565282202 /nfs/dbraw/zinc/28/22/02/565282202.db2.gz TZQLWGDBIYJVBI-NSHDSACASA-N 1 0 388.224 2.835 20 0 GFADRO O=C(N[C@@H]1CC[NH2+]C12CCCC2)c1ccc(I)c(F)c1 ZINC000592569840 565282210 /nfs/dbraw/zinc/28/22/10/565282210.db2.gz FXHJXMZTIXZSDK-CYBMUJFWSA-N 1 0 388.224 2.835 20 0 GFADRO Cc1ccc(Br)cc1CNC(=O)c1cnn2c1[C@@H](C[NH3+])CCC2 ZINC000592562077 565282416 /nfs/dbraw/zinc/28/24/16/565282416.db2.gz BIXJRQNHIYSJOX-GFCCVEGCSA-N 1 0 377.286 2.720 20 0 GFADRO C[N@H+](CCn1cc(Br)cn1)C[C@@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC000660563487 565282420 /nfs/dbraw/zinc/28/24/20/565282420.db2.gz MWMJUMLTYXCQIC-AWEZNQCLSA-N 1 0 385.350 2.862 20 0 GFADRO Cc1nn(C)c(NC(=O)NC[C@H]2CC[N@@H+]2Cc2ccccc2)c1Br ZINC000640170241 565285504 /nfs/dbraw/zinc/28/55/04/565285504.db2.gz XIKVXYNFPCLSBB-CQSZACIVSA-N 1 0 392.301 2.887 20 0 GFADRO COCC1([NH2+]CC(=O)N[C@@H](C)c2ccc(Cl)c(Cl)c2)CCOCC1 ZINC000660631693 565286240 /nfs/dbraw/zinc/28/62/40/565286240.db2.gz YJELJKFXDCMLAJ-LBPRGKRZSA-N 1 0 375.296 2.956 20 0 GFADRO OC[C@]1([C@H]([NH2+]Cc2ncc(Br)cc2Cl)C2CC2)CCCO1 ZINC000660647975 565286295 /nfs/dbraw/zinc/28/62/95/565286295.db2.gz VMTDMSOFIFVKBE-CABCVRRESA-N 1 0 375.694 2.907 20 0 GFADRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)Nc1cscc1Br ZINC000640188417 565286302 /nfs/dbraw/zinc/28/63/02/565286302.db2.gz ZSMIRFYQRPDTJV-JTQLQIEISA-N 1 0 376.320 2.820 20 0 GFADRO C[N@@H+]1CCC[C@H](NC(=O)Nc2cc(N3CCOCC3)ccc2Br)C1 ZINC000640234487 565290093 /nfs/dbraw/zinc/29/00/93/565290093.db2.gz MVDZJVDDADLAKJ-ZDUSSCGKSA-N 1 0 397.317 2.501 20 0 GFADRO CC[C@H](Cc1ccc(Br)cc1)NC(=O)N[C@@H]1CC[N@H+](CCOC)C1 ZINC000660706770 565290232 /nfs/dbraw/zinc/29/02/32/565290232.db2.gz WMEIPMGZJMFOQR-IAGOWNOFSA-N 1 0 398.345 2.790 20 0 GFADRO CN(C(=O)C[N@H+](C)[C@H]1CCSC1)[C@H](CO)c1cccc(Cl)c1Cl ZINC000618341313 565290916 /nfs/dbraw/zinc/29/09/16/565290916.db2.gz DMYLDRUPHYVTAY-SMDDNHRTSA-N 1 0 377.337 2.923 20 0 GFADRO O=S(=O)(CCN(C1CC1)C1(CO)CCC1)c1cccc(Br)c1 ZINC000660787447 565294395 /nfs/dbraw/zinc/29/43/95/565294395.db2.gz SLQRDZUFEYIWNB-UHFFFAOYSA-N 1 0 388.327 2.602 20 0 GFADRO O=C(Nc1nn(CC(F)(F)F)cc1Cl)N1CCC(c2ncc[nH]2)CC1 ZINC000640295255 565294752 /nfs/dbraw/zinc/29/47/52/565294752.db2.gz SMQJXNLQXNNFCP-UHFFFAOYSA-N 1 0 376.770 3.233 20 0 GFADRO O=C(C[N@H+]1CCC[C@@H](CCO)CC1)c1c[nH]c2ncc(Br)cc12 ZINC000660837181 565295303 /nfs/dbraw/zinc/29/53/03/565295303.db2.gz JCHUSDJZWZCCDG-GFCCVEGCSA-N 1 0 380.286 2.993 20 0 GFADRO CCC(C)(C)[NH+]1CCN(C(=O)Nc2nn(CC(F)(F)F)cc2Cl)CC1 ZINC000640302698 565297261 /nfs/dbraw/zinc/29/72/61/565297261.db2.gz NEIXNVSOPXHSIR-UHFFFAOYSA-N 1 0 381.830 3.437 20 0 GFADRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N1CCOc2cc(Br)ccc2C1 ZINC000660886599 565298172 /nfs/dbraw/zinc/29/81/72/565298172.db2.gz GMTAZOBKISKJFG-WBMJQRKESA-N 1 0 394.313 2.836 20 0 GFADRO CCCN(C(=O)Cc1ccccc1I)[C@@H]1CC[N@H+](C)C1 ZINC000592828769 565299087 /nfs/dbraw/zinc/29/90/87/565299087.db2.gz JKDBBIWCPVTRHV-CQSZACIVSA-N 1 0 386.277 2.776 20 0 GFADRO CC(C)[N@H+](C)CC1CCN(C(=O)CCn2cc(Br)ccc2=O)CC1 ZINC000618409593 565299284 /nfs/dbraw/zinc/29/92/84/565299284.db2.gz JXUVBLACIAAZGT-UHFFFAOYSA-N 1 0 398.345 2.580 20 0 GFADRO CCCN(C(=O)Cc1ccc(I)cc1)[C@@H]1CC[N@H+](C)C1 ZINC000592829711 565299337 /nfs/dbraw/zinc/29/93/37/565299337.db2.gz VYBDJSKFQROOEK-OAHLLOKOSA-N 1 0 386.277 2.776 20 0 GFADRO Cc1ccccc1[C@@H]([C@H](C)NC(=O)Nc1nn(C)cc1Br)[NH+](C)C ZINC000640314734 565300836 /nfs/dbraw/zinc/30/08/36/565300836.db2.gz JOHRXHNQQIYAOV-SWLSCSKDSA-N 1 0 394.317 3.304 20 0 GFADRO CSCC[C@H]([NH3+])C(=O)N1CCN([C@H](C)c2nc3ccccc3s2)CC1 ZINC000592962109 565304757 /nfs/dbraw/zinc/30/47/57/565304757.db2.gz WNSCYQOXOIFCTL-KGLIPLIRSA-N 1 0 378.567 2.582 20 0 GFADRO O=C(C[NH2+][C@@H](C1CC1)C1(CO)CCOCC1)Nc1ccccc1Br ZINC000661080019 565305626 /nfs/dbraw/zinc/30/56/26/565305626.db2.gz MDXJIIZYFSKHLX-KRWDZBQOSA-N 1 0 397.313 2.545 20 0 GFADRO CC[C@H]1C[N@H+](CC)CCN1C(=O)Nc1nnc(C(F)(F)C(F)(F)F)s1 ZINC000640386712 565306347 /nfs/dbraw/zinc/30/63/47/565306347.db2.gz KAMNKIAYANOFJB-QMMMGPOBSA-N 1 0 387.378 3.140 20 0 GFADRO CS(=O)(=O)c1cccc(Cl)c1C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000618666127 565309315 /nfs/dbraw/zinc/30/93/15/565309315.db2.gz VWTCOSNNMFLGLV-CYBMUJFWSA-N 1 0 384.929 2.880 20 0 GFADRO COC[C@H]([NH2+]Cc1nnc(-c2ccc(Br)o2)o1)C1CCOCC1 ZINC000661161797 565311308 /nfs/dbraw/zinc/31/13/08/565311308.db2.gz ZNBLSBKDKSRCDX-NSHDSACASA-N 1 0 386.246 2.623 20 0 GFADRO COC[C@@H]([NH2+]CC(=O)N[C@@H](C)c1ccc(Br)cc1)C1CCOCC1 ZINC000661158568 565311491 /nfs/dbraw/zinc/31/14/91/565311491.db2.gz BQAZDUWWXADCPE-SUMWQHHRSA-N 1 0 399.329 2.658 20 0 GFADRO CCC(C)(C)[C@@H](C)[NH2+]CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000661232582 565314665 /nfs/dbraw/zinc/31/46/65/565314665.db2.gz INGFJMOXGRGFBP-GFCCVEGCSA-N 1 0 389.949 2.943 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)N1CCC(n2cc(Br)cn2)CC1 ZINC000661401711 565322605 /nfs/dbraw/zinc/32/26/05/565322605.db2.gz YOZVDOVYTZXWSM-HNNXBMFYSA-N 1 0 398.349 2.865 20 0 GFADRO CC(C)(C)[C@H]([NH3+])c1cn(CC(=O)Nc2ccc(Br)cc2F)nn1 ZINC000640759018 565324441 /nfs/dbraw/zinc/32/44/41/565324441.db2.gz AYIGBSOMGKOUIO-CQSZACIVSA-N 1 0 384.253 2.864 20 0 GFADRO COCC[C@@H]([NH3+])Cc1cn([C@@H](C)C(=O)Nc2ccc(Cl)cc2Cl)nn1 ZINC000640782067 565326221 /nfs/dbraw/zinc/32/62/21/565326221.db2.gz KPRKSUMVTOGJME-CMPLNLGQSA-N 1 0 386.283 2.691 20 0 GFADRO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[N@@H+]1CC[C@@H]2NC(=O)CC[C@@H]2C1 ZINC000661606228 565330130 /nfs/dbraw/zinc/33/01/30/565330130.db2.gz UVZMWVYFYFPPBM-CJNGLKHVSA-N 1 0 384.307 2.552 20 0 GFADRO C[NH+](C)C[C@@H]1CCCN1c1ncnc2cc(I)sc21 ZINC000593465813 565333552 /nfs/dbraw/zinc/33/35/52/565333552.db2.gz UEVKPEYICYFVKM-VIFPVBQESA-N 1 0 388.278 2.826 20 0 GFADRO C[C@@H](CNc1ncnc2cc(I)sc21)C[NH+](C)C ZINC000593473506 565334414 /nfs/dbraw/zinc/33/44/14/565334414.db2.gz RLRMWEVGOGFFEL-QMMMGPOBSA-N 1 0 376.267 2.906 20 0 GFADRO C[N@H+]1CC=C(CNc2ncnc3cc(I)sc32)CC1 ZINC000593470118 565334664 /nfs/dbraw/zinc/33/46/64/565334664.db2.gz PXLHTTFRPZJZRC-UHFFFAOYSA-N 1 0 386.262 2.970 20 0 GFADRO Brc1csc(-c2noc(Cn3cc([C@@H]4CCC[NH2+]C4)nn3)n2)c1 ZINC000640994569 565340693 /nfs/dbraw/zinc/34/06/93/565340693.db2.gz VGLLIINTECLZHS-SECBINFHSA-N 1 0 395.286 2.667 20 0 GFADRO CCCCCOc1ccc(Br)cc1Cn1cc([C@@H]([NH3+])CO)nn1 ZINC000641030011 565342647 /nfs/dbraw/zinc/34/26/47/565342647.db2.gz OEFRVFDGAZFJRC-AWEZNQCLSA-N 1 0 383.290 2.650 20 0 GFADRO C[NH+](C)CCc1cn(Cc2ncc(-c3ccc(Br)cc3)o2)nn1 ZINC000641072358 565344862 /nfs/dbraw/zinc/34/48/62/565344862.db2.gz GQCSFCDOPDHAFY-UHFFFAOYSA-N 1 0 376.258 2.848 20 0 GFADRO C[NH2+][C@H](C)c1cn([C@@H]2CCCN(c3ccc(Br)c(C)c3)C2=O)nn1 ZINC000641118236 565347494 /nfs/dbraw/zinc/34/74/94/565347494.db2.gz VPYRXXUASLPDAQ-MLGOLLRUSA-N 1 0 392.301 2.998 20 0 GFADRO COc1cc(I)c(Cl)cc1CNC(=O)[C@H](C)[NH+](C)C ZINC000619545210 565348284 /nfs/dbraw/zinc/34/82/84/565348284.db2.gz OIUVQACOQYHWLD-QMMMGPOBSA-N 1 0 396.656 2.520 20 0 GFADRO O=C1CCCN1C[C@H]1CC[N@@H+](C[C@@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000662059902 565348309 /nfs/dbraw/zinc/34/83/09/565348309.db2.gz IZAGZQAYIXSOKH-DZGCQCFKSA-N 1 0 387.307 2.677 20 0 GFADRO O=C1CCCN1C[C@@H]1CC[N@@H+](C[C@@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000662062352 565348571 /nfs/dbraw/zinc/34/85/71/565348571.db2.gz NVYFUWPOELDKNT-ZIAGYGMSSA-N 1 0 387.307 2.677 20 0 GFADRO CC[NH2+]Cc1ccn(Cc2cn(Cc3ccc(Br)c(F)c3)nn2)n1 ZINC000641138076 565349488 /nfs/dbraw/zinc/34/94/88/565349488.db2.gz FOGVXLNTBZLWHG-UHFFFAOYSA-N 1 0 393.264 2.582 20 0 GFADRO O=C(CCN1CCC([N@@H+]2CC[C@H](O)C2)CC1)Nc1c(Cl)cccc1Cl ZINC000662154787 565353241 /nfs/dbraw/zinc/35/32/41/565353241.db2.gz ZJNNMAMJWXXVQM-AWEZNQCLSA-N 1 0 386.323 2.853 20 0 GFADRO O[C@H](COc1cc(Cl)ccc1Cl)Cn1cc(C[C@@H]2CCC[NH2+]C2)nn1 ZINC000641199763 565353563 /nfs/dbraw/zinc/35/35/63/565353563.db2.gz CBTHIXFUAPXQPY-WFASDCNBSA-N 1 0 385.295 2.567 20 0 GFADRO CCN1C[C@H](C[NH2+][C@H](C)c2ccc(F)c(I)c2)CC1=O ZINC000593718237 565358084 /nfs/dbraw/zinc/35/80/84/565358084.db2.gz CMAQRVYNKBWGGA-MNOVXSKESA-N 1 0 390.240 2.949 20 0 GFADRO CN(Cc1cccc2c1CC[NH2+]C2)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000662277009 565358144 /nfs/dbraw/zinc/35/81/44/565358144.db2.gz CJPPLIUGVOACMO-GOSISDBHSA-N 1 0 388.309 2.753 20 0 GFADRO [NH3+][C@@H]1CCc2ccccc2N(Cc2cc(=O)n3cc(Br)ccc3n2)C1 ZINC000662303591 565359081 /nfs/dbraw/zinc/35/90/81/565359081.db2.gz XLSFTSLGCJPFBF-OAHLLOKOSA-N 1 0 399.292 2.737 20 0 GFADRO CN(CC(=O)Nc1ccc(OC(F)F)c(Cl)c1)[C@H](C[NH3+])C(F)(F)F ZINC000662328675 565360371 /nfs/dbraw/zinc/36/03/71/565360371.db2.gz CVQINXCBPOBPEV-SNVBAGLBSA-N 1 0 375.725 2.701 20 0 GFADRO C[NH+](C)CCC[C@H]1CN(C[C@H](O)COc2ccc(Cl)c(Cl)c2)CCO1 ZINC000662319418 565360496 /nfs/dbraw/zinc/36/04/96/565360496.db2.gz MUTCZCQLPNZJJH-HOCLYGCPSA-N 1 0 391.339 2.776 20 0 GFADRO [NH3+]CCOCCN1CCc2cc(Br)c(Br)cc2C1 ZINC000662317738 565360794 /nfs/dbraw/zinc/36/07/94/565360794.db2.gz RMLQAWGKZPILTG-UHFFFAOYSA-N 1 0 378.108 2.545 20 0 GFADRO O=S(=O)(CC[C@H]1CCCCO1)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000641308137 565361133 /nfs/dbraw/zinc/36/11/33/565361133.db2.gz RPBSJGOSBXZRFU-QGZVFWFLSA-N 1 0 386.583 2.839 20 0 GFADRO CCC[N@@H+]1CC[C@@H](NC(=O)Cc2csc(NC(=O)c3cccs3)n2)C1 ZINC000619894741 565362280 /nfs/dbraw/zinc/36/22/80/565362280.db2.gz OVAFPGDUUSLDJI-GFCCVEGCSA-N 1 0 378.523 2.600 20 0 GFADRO CC(C)C[C@H](C[NH3+])CC(=O)NC[C@@H](O)COc1cccc(Cl)c1Cl ZINC000662409611 565366413 /nfs/dbraw/zinc/36/64/13/565366413.db2.gz COINKNSWIZMBBQ-QWHCGFSZSA-N 1 0 377.312 2.860 20 0 GFADRO [NH3+]CC12CCC(CC1)CN2C(=O)Cc1ccc(I)cc1 ZINC000593906470 565367260 /nfs/dbraw/zinc/36/72/60/565367260.db2.gz BFCLTINEDWDGHM-UHFFFAOYSA-N 1 0 384.261 2.564 20 0 GFADRO O=C(NCc1ccc(I)c(Cl)c1)[C@H]1CCC[NH2+]CC1 ZINC000593908024 565367491 /nfs/dbraw/zinc/36/74/91/565367491.db2.gz YOHKDCOMNKXNFB-NSHDSACASA-N 1 0 392.668 2.951 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC000662443462 565368612 /nfs/dbraw/zinc/36/86/12/565368612.db2.gz OBCNJTWCFFKEPS-ZDUSSCGKSA-N 1 0 378.274 2.916 20 0 GFADRO O=C(CNC(=O)[C@]1(C(F)(F)F)CC[NH2+]C1)Nc1cc(Cl)ccc1Cl ZINC000662443976 565368915 /nfs/dbraw/zinc/36/89/15/565368915.db2.gz CLEDOEWWDONJCB-ZDUSSCGKSA-N 1 0 384.185 2.590 20 0 GFADRO CC(C)S(=O)(=O)Cc1cccc(NC(=O)c2cc3c(s2)CC[NH2+]C3)c1 ZINC000662457207 565370420 /nfs/dbraw/zinc/37/04/20/565370420.db2.gz FBUKIDKVLBUYBH-UHFFFAOYSA-N 1 0 378.519 2.969 20 0 GFADRO CN[C@H](C(=O)NC[C@]1([NH+](C)C)CCSC1)c1cccc(Cl)c1Cl ZINC000662489215 565371637 /nfs/dbraw/zinc/37/16/37/565371637.db2.gz KJWOYTRBOMYQKJ-GOEBONIOSA-N 1 0 376.353 2.807 20 0 GFADRO O=C(c1cc(Br)cc(N2CCCC2)c1)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000662518922 565373856 /nfs/dbraw/zinc/37/38/56/565373856.db2.gz MCBPBXZAZJIEKJ-DYVFJYSZSA-N 1 0 378.314 2.873 20 0 GFADRO O=C(c1cc(Br)cc(N2CCCC2)c1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000662513919 565374083 /nfs/dbraw/zinc/37/40/83/565374083.db2.gz CESJWZPMYXQCSL-GOSISDBHSA-N 1 0 378.314 2.875 20 0 GFADRO [NH3+]C[C@@H]1OCC[C@H]1C(=O)Nc1ncc(Cc2cccc(Br)c2)s1 ZINC000662535359 565375059 /nfs/dbraw/zinc/37/50/59/565375059.db2.gz RDTNXSPOTPUQDF-KGLIPLIRSA-N 1 0 396.310 2.799 20 0 GFADRO O=C(N1CCO[C@H](c2ccc(F)c(Cl)c2)C1)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662566155 565377355 /nfs/dbraw/zinc/37/73/55/565377355.db2.gz SUUFKWZLSADUQN-DZGCQCFKSA-N 1 0 380.769 2.921 20 0 GFADRO Cc1[nH]c(=O)c(C(=O)N2CCC[C@H](C3CC[NH2+]CC3)C2)cc1Br ZINC000662597427 565379345 /nfs/dbraw/zinc/37/93/45/565379345.db2.gz XWTRNLDIEQYKLO-ZDUSSCGKSA-N 1 0 382.302 2.710 20 0 GFADRO C[C@@H](CC(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1)n1cc(Br)cn1 ZINC000662591925 565379618 /nfs/dbraw/zinc/37/96/18/565379618.db2.gz WHICMMICEVMDAA-ZFWWWQNUSA-N 1 0 383.334 2.835 20 0 GFADRO Cc1[nH]c(=O)c(C(=O)Nc2ccc([C@H]3C[NH2+]CCO3)cc2)cc1Br ZINC000662684158 565381637 /nfs/dbraw/zinc/38/16/37/565381637.db2.gz BARRRWVOTIZGLH-OAHLLOKOSA-N 1 0 392.253 2.771 20 0 GFADRO O=C(c1cnn([C@@H]2CCC[NH2+]C2)c1)N1CCc2sc(Br)cc2C1 ZINC000662688650 565382220 /nfs/dbraw/zinc/38/22/20/565382220.db2.gz NXHWPSTUMUFPQY-CYBMUJFWSA-N 1 0 395.326 2.830 20 0 GFADRO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)c1sc2c(c1Br)CNC2 ZINC000662692285 565382447 /nfs/dbraw/zinc/38/24/47/565382447.db2.gz CRSAWDDCUOEHNM-NSHDSACASA-N 1 0 386.359 2.964 20 0 GFADRO [NH3+]CC12CC(C1)CN2C(=O)c1cc(Br)sc1Br ZINC000662679404 565382485 /nfs/dbraw/zinc/38/24/85/565382485.db2.gz NXSJFTOCUXJKFW-UHFFFAOYSA-N 1 0 380.105 2.836 20 0 GFADRO C[NH2+]CCCC(=O)N1CCC(NC(=O)c2cc(F)c(Cl)cc2Cl)CC1 ZINC000662745150 565383202 /nfs/dbraw/zinc/38/32/02/565383202.db2.gz GSRTUIDZCNDVJQ-UHFFFAOYSA-N 1 0 390.286 2.853 20 0 GFADRO COCC[C@H](Cc1cccc(Br)c1)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000662717750 565383492 /nfs/dbraw/zinc/38/34/92/565383492.db2.gz FESBAYLLWXYZKL-SWKXRBFHSA-N 1 0 381.314 2.513 20 0 GFADRO CC(C)(C)n1cc(Br)c(C(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)n1 ZINC000662786263 565384454 /nfs/dbraw/zinc/38/44/54/565384454.db2.gz VVNIQAUOWUAJCA-QWHCGFSZSA-N 1 0 383.334 2.862 20 0 GFADRO C[NH+]1CCC2(CCN(S(=O)(=O)c3cc(F)ccc3OC(F)F)C2)CC1 ZINC000641586808 565384794 /nfs/dbraw/zinc/38/47/94/565384794.db2.gz QVPPBJXCKBHDRJ-UHFFFAOYSA-N 1 0 378.416 2.534 20 0 GFADRO [NH3+]CC[C@@H]1CCCN(C(=O)[C@@H]2CCO[C@H]2c2cncc(Br)c2)C1 ZINC000662773759 565384932 /nfs/dbraw/zinc/38/49/32/565384932.db2.gz JRPFAZCBYPAEGL-MAZHCROVSA-N 1 0 382.302 2.509 20 0 GFADRO Cc1ccc(C(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)c(C)c1Br ZINC000620478807 565385085 /nfs/dbraw/zinc/38/50/85/565385085.db2.gz HYJWPJULHYRHLC-HNNXBMFYSA-N 1 0 381.314 2.737 20 0 GFADRO Cc1ccc(CCC(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)c(Br)c1 ZINC000620479645 565385118 /nfs/dbraw/zinc/38/51/18/565385118.db2.gz WLJPYJDVYNSLMH-QGZVFWFLSA-N 1 0 395.341 2.748 20 0 GFADRO O=C(c1cccc(Br)c1Cl)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000620480455 565385207 /nfs/dbraw/zinc/38/52/07/565385207.db2.gz DDWWITONRWTZOR-GFCCVEGCSA-N 1 0 387.705 2.774 20 0 GFADRO C[C@H](Oc1cccc(Cl)c1Cl)C(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000620487442 565385714 /nfs/dbraw/zinc/38/57/14/565385714.db2.gz YSFYJQZTNMEJQY-JSGCOSHPSA-N 1 0 387.307 2.818 20 0 GFADRO COc1ccc(I)c(NC(=O)[C@@H]2C[C@@]23CCC[NH2+]C3)c1 ZINC000594431145 565385735 /nfs/dbraw/zinc/38/57/35/565385735.db2.gz IKJHIWNPZLZQFE-XHDPSFHLSA-N 1 0 386.233 2.628 20 0 GFADRO O=C(N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662800277 565386208 /nfs/dbraw/zinc/38/62/08/565386208.db2.gz MWEAJCREHNTMMB-BMIGLBTASA-N 1 0 379.785 2.716 20 0 GFADRO C[C@@H]1[C@@H](c2ccc(Br)cc2)OCCN1C(=O)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000662859643 565388422 /nfs/dbraw/zinc/38/84/22/565388422.db2.gz QRPMUKWEAKCMHG-GMLZMKKNSA-N 1 0 379.298 2.737 20 0 GFADRO Cc1cc(Br)c(Cl)cc1NC(=O)c1cn(CCCC[NH3+])nn1 ZINC000662858921 565388724 /nfs/dbraw/zinc/38/87/24/565388724.db2.gz KURCDKMPMCDKII-UHFFFAOYSA-N 1 0 386.681 2.994 20 0 GFADRO C[NH+](C)Cc1ccc(C(=O)N2CCOc3cc(Br)ccc3C2)cn1 ZINC000620708831 565394486 /nfs/dbraw/zinc/39/44/86/565394486.db2.gz VFHGAKKCMYXPRC-UHFFFAOYSA-N 1 0 390.281 2.941 20 0 GFADRO CN(CCCC[NH+]1CCCCC1)C(=O)NCc1ccc(S(C)(=O)=O)s1 ZINC000641824219 565399573 /nfs/dbraw/zinc/39/95/73/565399573.db2.gz FYGIFNRVQHUIDG-UHFFFAOYSA-N 1 0 387.571 2.559 20 0 GFADRO C[C@H]([NH2+][C@H]1CCCN(CCN2CCOCC2)C1)c1ccc(Br)cc1 ZINC000641789076 565399962 /nfs/dbraw/zinc/39/99/62/565399962.db2.gz YJQFXQLABWKCTE-LPHOPBHVSA-N 1 0 396.373 2.896 20 0 GFADRO CC(C)([NH3+])CCNC(=O)C(=O)Nc1cc(Br)cc(C(F)(F)F)c1 ZINC000641820358 565400007 /nfs/dbraw/zinc/40/00/07/565400007.db2.gz AKYANQCFQPZLOE-UHFFFAOYSA-N 1 0 396.207 2.650 20 0 GFADRO CC[C@@H]1CN(C(=O)c2cnn(-c3ccc(Br)cc3)c2)C[C@H](C)[NH2+]1 ZINC000620904512 565400320 /nfs/dbraw/zinc/40/03/20/565400320.db2.gz OYIRDEVVOCWAEV-SWLSCSKDSA-N 1 0 377.286 2.847 20 0 GFADRO CN(C)[C@H](C[NH2+]C[C@H](O)COc1cccc(Br)c1)c1ccco1 ZINC000641938090 565402294 /nfs/dbraw/zinc/40/22/94/565402294.db2.gz KMFUIIQGWBDKNL-GOEBONIOSA-N 1 0 383.286 2.674 20 0 GFADRO O=C(NC[C@@H]1C[NH2+]CCO1)N1CCCC[C@H]1Cc1ccccc1Br ZINC000642013772 565403987 /nfs/dbraw/zinc/40/39/87/565403987.db2.gz DTLWJACXYLRKIF-HOTGVXAUSA-N 1 0 396.329 2.544 20 0 GFADRO O=C(NC[C@H]1C[NH2+]CCO1)N1CCCC[C@H]1Cc1ccccc1Br ZINC000642013774 565404695 /nfs/dbraw/zinc/40/46/95/565404695.db2.gz DTLWJACXYLRKIF-JKSUJKDBSA-N 1 0 396.329 2.544 20 0 GFADRO COC1CC[NH+](CCNc2nc(C(F)(F)F)c(Br)s2)CC1 ZINC000642203501 565407866 /nfs/dbraw/zinc/40/78/66/565407866.db2.gz WZVQPNGTSFGQTM-UHFFFAOYSA-N 1 0 388.253 3.447 20 0 GFADRO CC(C)[C@H]1CN(C(=O)C2(c3ccc(Br)cc3)CCOCC2)CC[NH2+]1 ZINC000621153722 565408366 /nfs/dbraw/zinc/40/83/66/565408366.db2.gz YHXVUSIQOBWNSQ-QGZVFWFLSA-N 1 0 395.341 2.954 20 0 GFADRO CN([C@@H](C[NH3+])C(F)(F)F)S(=O)(=O)c1cc(Cl)cc(Br)c1 ZINC000663309841 565410890 /nfs/dbraw/zinc/41/08/90/565410890.db2.gz RUAPHGLQNBARJB-VIFPVBQESA-N 1 0 395.628 2.613 20 0 GFADRO CN([C@@H](C[NH3+])C(F)(F)F)S(=O)(=O)c1cc(Cl)cc(C(F)(F)F)c1 ZINC000663311355 565411023 /nfs/dbraw/zinc/41/10/23/565411023.db2.gz MOYIFNLVTIQAJS-VIFPVBQESA-N 1 0 384.729 2.869 20 0 GFADRO COC(=O)CCN1CCC[C@H]([NH2+][C@@H](C)c2ccc(Br)cc2)C1=O ZINC000594710059 565410954 /nfs/dbraw/zinc/41/09/54/565410954.db2.gz IOTWBFNLHPULJU-WFASDCNBSA-N 1 0 383.286 2.654 20 0 GFADRO COc1cc(Cl)c(S(=O)(=O)N(C)[C@H](C[NH3+])C(F)(F)F)cc1Cl ZINC000663309411 565411231 /nfs/dbraw/zinc/41/12/31/565411231.db2.gz CBLRHXAPSXTXMX-SNVBAGLBSA-N 1 0 381.203 2.512 20 0 GFADRO O[C@H](C[NH2+]C1CCN([C@@H]2CCOC2)CC1)COc1ccc(Cl)cc1Cl ZINC000663363112 565415192 /nfs/dbraw/zinc/41/51/92/565415192.db2.gz HKUWDPQQSZYTLR-HZPDHXFCSA-N 1 0 389.323 2.576 20 0 GFADRO COc1cc(CN2CCC[C@H](CC(C)(C)C(N)=O)C2)c(Br)cn1 ZINC000621299225 565416922 /nfs/dbraw/zinc/41/69/22/565416922.db2.gz ZGHZVDHMOXJWNA-GFCCVEGCSA-N 1 0 384.318 2.966 20 0 GFADRO CC(C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000642905581 565418595 /nfs/dbraw/zinc/41/85/95/565418595.db2.gz PPQNCHVINHTRNW-AWEZNQCLSA-N 1 0 386.323 2.989 20 0 GFADRO O=C(N[C@@H]1CCC[NH2+]CC1)C(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000642980048 565419804 /nfs/dbraw/zinc/41/98/04/565419804.db2.gz WKMMMQBILQGTIU-CJNGLKHVSA-N 1 0 384.307 2.915 20 0 GFADRO COC(=O)c1cc(Cl)ccc1S(=O)(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000594794239 565421934 /nfs/dbraw/zinc/42/19/34/565421934.db2.gz ZTZRHPUVVLNUCU-LBPRGKRZSA-N 1 0 388.917 2.525 20 0 GFADRO C[C@]1(NC(=O)Nc2cccc(Oc3ncc(Br)cn3)c2)CC[NH2+]C1 ZINC000663586817 565426406 /nfs/dbraw/zinc/42/64/06/565426406.db2.gz AKLMQWIUGHOKAP-INIZCTEOSA-N 1 0 392.257 2.905 20 0 GFADRO O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)N1CCOc2cc(Br)ccc2C1 ZINC000663684393 565430098 /nfs/dbraw/zinc/43/00/98/565430098.db2.gz UGKGBFJGXMWNDQ-HOTGVXAUSA-N 1 0 394.313 2.980 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)CC[C@@H]1CCC[NH2+]C1 ZINC000621624956 565433194 /nfs/dbraw/zinc/43/31/94/565433194.db2.gz CJDWVUZNCHBXGI-ZDUSSCGKSA-N 1 0 382.302 2.592 20 0 GFADRO [NH3+][C@H]1CCO[C@@H](C2CCN(C(=O)COc3ccc(Br)cc3)CC2)C1 ZINC000643606037 565435759 /nfs/dbraw/zinc/43/57/59/565435759.db2.gz GTZDKKQCLVEELV-DOTOQJQBSA-N 1 0 397.313 2.573 20 0 GFADRO O=C(CC[C@@H]1CCC[NH2+]C1)N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000621660751 565436016 /nfs/dbraw/zinc/43/60/16/565436016.db2.gz VLEGEEXGNZVYBE-BLLLJJGKSA-N 1 0 384.307 2.995 20 0 GFADRO C[S@](=O)[C@@H]1CCC[C@H]([NH2+]Cc2cc(Br)c3c(c2)OCCO3)C1 ZINC000594963757 565438406 /nfs/dbraw/zinc/43/84/06/565438406.db2.gz XSWDCVCNOFHNCN-SASJJMKUSA-N 1 0 388.327 3.000 20 0 GFADRO C[S@](=O)[C@H]1CCC[C@H]([NH2+]Cc2cn(-c3ccccc3Br)nn2)C1 ZINC000594964244 565438425 /nfs/dbraw/zinc/43/84/25/565438425.db2.gz CKSVIWRZBLPDPE-YSALQEOHSA-N 1 0 397.342 2.809 20 0 GFADRO COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]C[C@H](CO)Cc1ccc(C)c(Br)c1 ZINC000594958758 565438913 /nfs/dbraw/zinc/43/89/13/565438913.db2.gz OYQODCXGZDLUFL-DTZQCDIJSA-N 1 0 384.314 2.696 20 0 GFADRO Ic1cccc(C[NH2+]C2CCN([C@@H]3CCOC3)CC2)c1 ZINC000594992845 565439743 /nfs/dbraw/zinc/43/97/43/565439743.db2.gz KKPKUSJKEYEMDW-MRXNPFEDSA-N 1 0 386.277 2.634 20 0 GFADRO CC(=O)N1CC[C@H]([NH2+]CCn2cc(Br)ccc2=O)c2ccccc21 ZINC000621763524 565441082 /nfs/dbraw/zinc/44/10/82/565441082.db2.gz ZFZRHWUIMVEFEW-INIZCTEOSA-N 1 0 390.281 2.698 20 0 GFADRO Ic1ccc2c(c1)[C@@H]([NH2+]CCOC[C@@H]1CCOC1)CC2 ZINC000595015388 565442397 /nfs/dbraw/zinc/44/23/97/565442397.db2.gz DGYXAXFFHABHMR-WBMJQRKESA-N 1 0 387.261 2.921 20 0 GFADRO CC(C)COC[C@H](O)C[NH2+][C@H]1CCc2ccc(I)cc21 ZINC000595017252 565442557 /nfs/dbraw/zinc/44/25/57/565442557.db2.gz LAPQUORZQVWWAO-ZBFHGGJFSA-N 1 0 389.277 2.902 20 0 GFADRO CO[C@@H]1COCC[C@@H]1C[NH2+][C@H]1CCc2ccc(I)cc21 ZINC000595042629 565444895 /nfs/dbraw/zinc/44/48/95/565444895.db2.gz UAJYQSQQDLQYJE-UHOFOFEASA-N 1 0 387.261 2.920 20 0 GFADRO O=C(N[C@@H]1CCc2c1cccc2Br)N1CCN([C@H]2CCOC2)CC1 ZINC000663954807 565445873 /nfs/dbraw/zinc/44/58/73/565445873.db2.gz CHEKQHRAODTWAU-SUMWQHHRSA-N 1 0 394.313 2.553 20 0 GFADRO [NH3+][C@]12CCC[C@H]1CN(Cc1ccc(Br)cc1N1CCOCC1)C2 ZINC000622004625 565454628 /nfs/dbraw/zinc/45/46/28/565454628.db2.gz RILAPISAOIECNA-YJBOKZPZSA-N 1 0 380.330 2.599 20 0 GFADRO [NH3+][C@@]12CCC[C@@H]1CN(Cc1ccc(Br)cc1N1CCOCC1)C2 ZINC000622004622 565454701 /nfs/dbraw/zinc/45/47/01/565454701.db2.gz RILAPISAOIECNA-CRAIPNDOSA-N 1 0 380.330 2.599 20 0 GFADRO CC(=O)Nc1ccc(Br)cc1NC(=O)[C@H]1C[NH2+]CCC1(F)F ZINC000644055588 565456205 /nfs/dbraw/zinc/45/62/05/565456205.db2.gz HLJLFOCFZRADNU-SNVBAGLBSA-N 1 0 376.201 2.591 20 0 GFADRO O=C(NCC[C@@H]1CCC[NH2+]C1)Nc1ccc(I)cc1F ZINC000595234555 565457082 /nfs/dbraw/zinc/45/70/82/565457082.db2.gz LJXCIFSREGBCLM-JTQLQIEISA-N 1 0 391.228 2.942 20 0 GFADRO [NH3+]C1(CNC(=O)Nc2cc(F)c(I)c(F)c2)CCCC1 ZINC000595228996 565457133 /nfs/dbraw/zinc/45/71/33/565457133.db2.gz HUZYNUXMXXCEIT-UHFFFAOYSA-N 1 0 395.191 2.962 20 0 GFADRO CCN(C(=O)NC[C@@H](C)Oc1ccccc1Br)[C@H]1CC[N@H+](C)C1 ZINC000664321540 565458501 /nfs/dbraw/zinc/45/85/01/565458501.db2.gz UNNLBKQTRCHTCM-KGLIPLIRSA-N 1 0 384.318 2.952 20 0 GFADRO COc1ccccc1[C@@H]([NH3+])CNC(=O)[C@H]1COc2ccc(Br)cc21 ZINC000644091547 565458745 /nfs/dbraw/zinc/45/87/45/565458745.db2.gz XQUPBQPMJBKNJO-GJZGRUSLSA-N 1 0 391.265 2.750 20 0 GFADRO COCC[C@@H](Cc1cccc(Br)c1)C(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000644143701 565459991 /nfs/dbraw/zinc/45/99/91/565459991.db2.gz CLWIDPUHIFCXIR-DOTOQJQBSA-N 1 0 395.341 2.903 20 0 GFADRO CN(C)Cc1ccc(NC(=O)[C@H]2C[NH2+]CCC2(F)F)cc1Br ZINC000644151581 565461399 /nfs/dbraw/zinc/46/13/99/565461399.db2.gz ZACWBAFEHGAJPM-GFCCVEGCSA-N 1 0 376.245 2.694 20 0 GFADRO COc1cc(NC(=O)[C@@H]2C[NH2+]CCC2(F)F)cc(OC)c1Br ZINC000644152950 565461746 /nfs/dbraw/zinc/46/17/46/565461746.db2.gz IQZVHSFAVFHOET-VIFPVBQESA-N 1 0 379.201 2.650 20 0 GFADRO Cn1[nH]c([C@@H]2CCC[NH2+]2)nc1=NC(=O)Nc1ccc(Br)cc1Cl ZINC000664416117 565462428 /nfs/dbraw/zinc/46/24/28/565462428.db2.gz COOQOOWNEXJUPJ-NSHDSACASA-N 1 0 399.680 2.721 20 0 GFADRO C[N@@H+]1C[C@H]2CCN(S(=O)(=O)c3ccc4nc(C(C)(C)C)sc4c3)[C@@H]2C1 ZINC000644303764 565471280 /nfs/dbraw/zinc/47/12/80/565471280.db2.gz XHWAQMDUWKFOCJ-IUODEOHRSA-N 1 0 379.551 2.918 20 0 GFADRO Cc1cc(Br)cn2cc(CNC(=O)NCC[C@H](C)[NH+](C)C)nc12 ZINC000664658862 565472676 /nfs/dbraw/zinc/47/26/76/565472676.db2.gz HBUKXKJFGGNKJN-LBPRGKRZSA-N 1 0 382.306 2.545 20 0 GFADRO Cc1ccn2cc(C[NH2+]C[C@H](O)COc3cccc(Br)c3)nc2c1 ZINC000644527221 565480067 /nfs/dbraw/zinc/48/00/67/565480067.db2.gz WWHIFWCBEIZHQB-INIZCTEOSA-N 1 0 390.281 2.935 20 0 GFADRO COc1nc(C)cc(C)c1C[NH2+]C[C@@H](O)COc1ccc(Br)cc1 ZINC000644542141 565480869 /nfs/dbraw/zinc/48/08/69/565480869.db2.gz VZBAWCBOHZCTPN-OAHLLOKOSA-N 1 0 395.297 2.999 20 0 GFADRO O[C@H](C[NH2+]CCOc1ncccc1F)COc1cc(Cl)ccc1Cl ZINC000644604406 565483635 /nfs/dbraw/zinc/48/36/35/565483635.db2.gz ZMBKABSPTWKZKH-GFCCVEGCSA-N 1 0 375.227 2.936 20 0 GFADRO O[C@H](C[NH2+]Cc1cnn(CC(F)(F)F)c1)COCc1ccccc1Cl ZINC000644600636 565484213 /nfs/dbraw/zinc/48/42/13/565484213.db2.gz WOQXJPDVHJUHLT-CQSZACIVSA-N 1 0 377.794 2.766 20 0 GFADRO CSC1(CNC(=O)N2C[C@@H](C)O[C@@H](CC(F)(F)F)C2)CC[NH+](C)CC1 ZINC000595636712 565486102 /nfs/dbraw/zinc/48/61/02/565486102.db2.gz SPLHWUSHNLNAEC-OLZOCXBDSA-N 1 0 383.480 2.565 20 0 GFADRO CO[C@H](CC[NH2+]C[C@@H](O)COc1ccc(Br)cc1)C(F)(F)F ZINC000644630934 565486352 /nfs/dbraw/zinc/48/63/52/565486352.db2.gz JWXCBERLBRMBKM-DGCLKSJQSA-N 1 0 386.208 2.746 20 0 GFADRO Cc1sc(C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)cc1Br ZINC000644639906 565486365 /nfs/dbraw/zinc/48/63/65/565486365.db2.gz DBGKXHHERSVXQP-ZDUSSCGKSA-N 1 0 386.359 2.671 20 0 GFADRO O[C@@H](CNC1CC([NH+]2CCCCC2)C1)COc1cccc(Br)c1 ZINC000644636815 565486624 /nfs/dbraw/zinc/48/66/24/565486624.db2.gz XWBCBNCBIAGZKX-JCYILVPMSA-N 1 0 383.330 2.795 20 0 GFADRO CC(C)[C@@H](C[NH2+]C[C@H](O)COc1ccc(Br)cc1)c1ccnn1C ZINC000644630350 565486665 /nfs/dbraw/zinc/48/66/65/565486665.db2.gz UZCOKUWBNMXJQM-DOTOQJQBSA-N 1 0 396.329 2.952 20 0 GFADRO CO[C@](C)(C[NH2+]CCS(=O)(=O)c1cccc(Br)c1)C1CC1 ZINC000644651585 565487521 /nfs/dbraw/zinc/48/75/21/565487521.db2.gz ARRUKLGVQMBZOS-OAHLLOKOSA-N 1 0 376.316 2.628 20 0 GFADRO CS(=O)(=O)C1(C[NH2+]C[C@@H](O)COc2ccc(Cl)c(Cl)c2)CCCC1 ZINC000644646700 565487974 /nfs/dbraw/zinc/48/79/74/565487974.db2.gz CCOLHIDMTKLREZ-GFCCVEGCSA-N 1 0 396.336 2.680 20 0 GFADRO CC(C)(C[NH2+]C[C@H](O)COc1ccc(Cl)c(Cl)c1)C1(O)CCOCC1 ZINC000644673223 565488890 /nfs/dbraw/zinc/48/88/90/565488890.db2.gz OBICZTNVYOPKHN-ZDUSSCGKSA-N 1 0 392.323 2.890 20 0 GFADRO C[N@@H+]1C[C@H]2CCN(Cc3noc(Cc4ccc(Br)cc4)n3)[C@H]2C1 ZINC000644728291 565491127 /nfs/dbraw/zinc/49/11/27/565491127.db2.gz HADNYQIYGMAGGP-HIFRSBDPSA-N 1 0 377.286 2.559 20 0 GFADRO Cc1nc2ccc(Br)cn2c1C(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000644830068 565496334 /nfs/dbraw/zinc/49/63/34/565496334.db2.gz YTWKXPOUTORLAM-KRWDZBQOSA-N 1 0 377.286 2.573 20 0 GFADRO COC(=O)[C@H](c1ccccc1Br)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000595895720 565496602 /nfs/dbraw/zinc/49/66/02/565496602.db2.gz TXXHFQAITHAMKU-CPUCHLNUSA-N 1 0 381.314 2.985 20 0 GFADRO COC(=O)[C@H](c1ccccc1Br)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000595895721 565496662 /nfs/dbraw/zinc/49/66/62/565496662.db2.gz TXXHFQAITHAMKU-KEYYUXOJSA-N 1 0 381.314 2.985 20 0 GFADRO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)c2cc(-c3ccc(Br)cc3)n[nH]2)C1 ZINC000644811588 565497134 /nfs/dbraw/zinc/49/71/34/565497134.db2.gz AWIOOTGIPRCVKA-LRDDRELGSA-N 1 0 375.270 2.615 20 0 GFADRO O=C(C[C@@H]1CC[NH2+]C1)NCc1cc(Cl)ccc1I ZINC000595936618 565499836 /nfs/dbraw/zinc/49/98/36/565499836.db2.gz CERZEZNMGOFHGG-VIFPVBQESA-N 1 0 378.641 2.560 20 0 GFADRO CC1(C)CC[NH2+][C@H]1C(=O)NCc1cc(Cl)ccc1I ZINC000595964224 565502219 /nfs/dbraw/zinc/50/22/19/565502219.db2.gz XLOCSRNWDYXHNH-LBPRGKRZSA-N 1 0 392.668 2.949 20 0 GFADRO C[NH+]1CCC(NC(=O)NCc2c(F)c(F)c(Br)c(F)c2F)CC1 ZINC000644940020 565503002 /nfs/dbraw/zinc/50/30/02/565503002.db2.gz ADRVQDDWICBTOU-UHFFFAOYSA-N 1 0 398.198 2.899 20 0 GFADRO CN(C)c1cc(Br)cc(C(=O)N2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000644946142 565503788 /nfs/dbraw/zinc/50/37/88/565503788.db2.gz ZUYAKTOFVAADMX-UHFFFAOYSA-N 1 0 389.297 2.873 20 0 GFADRO COC(=O)c1sc2c(c1Br)CN(C(=O)[C@H](C(C)C)[C@@H](C)[NH3+])C2 ZINC000596003849 565506000 /nfs/dbraw/zinc/50/60/00/565506000.db2.gz SYWZJZBSIAGCOW-LDYMZIIASA-N 1 0 389.315 2.759 20 0 GFADRO C[C@@H](NC(=O)Nc1cnc2c(Br)cccn12)C1CC[NH+](C)CC1 ZINC000645010104 565507872 /nfs/dbraw/zinc/50/78/72/565507872.db2.gz NCMJMGGXZIZQPO-LLVKDONJSA-N 1 0 380.290 2.949 20 0 GFADRO C[C@H](NC(=O)N1CN(CC[NH+](C)C)C(=O)[C@H]1C)c1cc(Cl)ccc1Cl ZINC000645185058 565515462 /nfs/dbraw/zinc/51/54/62/565515462.db2.gz JHJHCSVBDQWTAL-NWDGAFQWSA-N 1 0 387.311 2.816 20 0 GFADRO O[C@@]1(CC[NH2+]Cc2c[nH]nc2-c2ccc(Br)s2)CCCOC1 ZINC000623560819 565517494 /nfs/dbraw/zinc/51/74/94/565517494.db2.gz UCGUNCDRDSTOHS-OAHLLOKOSA-N 1 0 386.315 2.922 20 0 GFADRO C[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)cc(Cl)c2OCCN2CCOCC2)CO1 ZINC000623558968 565517931 /nfs/dbraw/zinc/51/79/31/565517931.db2.gz ONVRGEUEBILCTO-CJNGLKHVSA-N 1 0 389.323 2.971 20 0 GFADRO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(C(=O)c2cc(Cl)c(F)cc2Cl)CC1 ZINC000645252865 565519376 /nfs/dbraw/zinc/51/93/76/565519376.db2.gz MPQODTNGURUSLR-OAHLLOKOSA-N 1 0 388.270 2.687 20 0 GFADRO CN(C1CC[NH+](C)CC1)S(=O)(=O)c1cc(Cl)ccc1OC(F)(F)F ZINC000645420810 565524687 /nfs/dbraw/zinc/52/46/87/565524687.db2.gz FZPBNQUSBNHDHE-UHFFFAOYSA-N 1 0 386.823 2.953 20 0 GFADRO COc1ncc(Br)cc1CNC(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000623707911 565526580 /nfs/dbraw/zinc/52/65/80/565526580.db2.gz PDDJLOJOQMGGIE-LBPRGKRZSA-N 1 0 385.306 2.526 20 0 GFADRO O=C(Nc1ccc(Br)c(F)c1)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000666193264 565526584 /nfs/dbraw/zinc/52/65/84/565526584.db2.gz IIHKSBCYRGPREG-ZDUSSCGKSA-N 1 0 386.265 2.963 20 0 GFADRO CC(C)(C[NH2+]Cc1cc2c(c(Br)c1)OCO2)C(=O)N1CCCC1 ZINC000623744288 565527775 /nfs/dbraw/zinc/52/77/75/565527775.db2.gz ZCKDFLGAKBNLCS-UHFFFAOYSA-N 1 0 383.286 2.916 20 0 GFADRO CN(CCC[NH+](C)C)CCNC(=O)Nc1ccc(F)c(Br)c1 ZINC000666226162 565528346 /nfs/dbraw/zinc/52/83/46/565528346.db2.gz NSBZEWUISBVCAT-UHFFFAOYSA-N 1 0 375.286 2.593 20 0 GFADRO CS(=O)(=O)N1CCC([NH2+]Cc2cc(Cl)cc(Br)c2)CC1 ZINC000666214315 565528386 /nfs/dbraw/zinc/52/83/86/565528386.db2.gz QAJDKCRTMJAQPH-UHFFFAOYSA-N 1 0 381.723 2.616 20 0 GFADRO CSC1(CNC(=O)N[C@@H](c2cccs2)C(C)(C)CO)CC[NH+](C)CC1 ZINC000596601458 565528447 /nfs/dbraw/zinc/52/84/47/565528447.db2.gz APEWPDLDYQMFNA-HNNXBMFYSA-N 1 0 385.599 2.934 20 0 GFADRO C[C@H]1CCC[N@@H+](C(C)(C)CNS(=O)(=O)c2ncccc2C(F)(F)F)C1 ZINC000645486773 565530287 /nfs/dbraw/zinc/53/02/87/565530287.db2.gz JOHIIPRIICZWMU-LBPRGKRZSA-N 1 0 379.448 2.889 20 0 GFADRO CC(C)CN(C1CC[NH+](C)CC1)S(=O)(=O)c1ncccc1C(F)(F)F ZINC000645486420 565530417 /nfs/dbraw/zinc/53/04/17/565530417.db2.gz FFOXVQLUGPGECG-UHFFFAOYSA-N 1 0 379.448 2.841 20 0 GFADRO CCn1ccnc1[C@H](N[C@H](C)C[NH2+]C)c1ccc(I)cc1 ZINC000596652015 565530668 /nfs/dbraw/zinc/53/06/68/565530668.db2.gz FDBHATKDNRALRZ-IUODEOHRSA-N 1 0 398.292 2.795 20 0 GFADRO CCn1ccnc1[C@@H](N[C@@H](C)C[NH2+]C)c1ccc(I)cc1 ZINC000596652017 565530681 /nfs/dbraw/zinc/53/06/81/565530681.db2.gz FDBHATKDNRALRZ-WFASDCNBSA-N 1 0 398.292 2.795 20 0 GFADRO Cc1ccc(Br)cc1[C@H](C)[NH2+]C1CCN(CC(=O)N(C)C)CC1 ZINC000623891034 565533988 /nfs/dbraw/zinc/53/39/88/565533988.db2.gz BCKFGCPXAUYARL-AWEZNQCLSA-N 1 0 382.346 2.961 20 0 GFADRO C[C@H](CNc1nccc(-c2ccc(Br)cc2)n1)N1CC[NH+](C)CC1 ZINC000623931791 565535951 /nfs/dbraw/zinc/53/59/51/565535951.db2.gz KIUFPJRIJURRAW-CQSZACIVSA-N 1 0 390.329 2.954 20 0 GFADRO CCC[N@@H+]1CC[C@@H](NC(=O)Nc2ccc(Br)c(C(=O)OC)c2)C1 ZINC000596821596 565536928 /nfs/dbraw/zinc/53/69/28/565536928.db2.gz VUPNWXYHAOMRGB-GFCCVEGCSA-N 1 0 384.274 2.842 20 0 GFADRO C[C@H]([NH2+]CCNS(=O)(=O)c1cccc(Cl)c1Cl)[C@@H]1CCCCO1 ZINC000623982040 565538631 /nfs/dbraw/zinc/53/86/31/565538631.db2.gz AQKFVGGMRUQWTQ-AAEUAGOBSA-N 1 0 381.325 2.819 20 0 GFADRO C[N@@H+]1CCC[C@H](CNS(=O)(=O)CCOCC2CCC2)[C@H]1c1cccs1 ZINC000645562613 565539558 /nfs/dbraw/zinc/53/95/58/565539558.db2.gz YAFNARPBWHOXPR-AEFFLSMTSA-N 1 0 386.583 2.867 20 0 GFADRO COc1ncc(S(=O)(=O)NC2CC[NH+](C3CCCCC3)CC2)cc1Cl ZINC000645576426 565540518 /nfs/dbraw/zinc/54/05/18/565540518.db2.gz XEBOVZCIKCGIQM-UHFFFAOYSA-N 1 0 387.933 2.819 20 0 GFADRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)NCc3ccc(Cl)c(Cl)c3)CC2)C1 ZINC000666542503 565541474 /nfs/dbraw/zinc/54/14/74/565541474.db2.gz VXACBWGBLNVAAV-OAHLLOKOSA-N 1 0 385.339 2.915 20 0 GFADRO C[C@H]([NH2+][C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F)C1CCS(=O)(=O)CC1 ZINC000624078424 565542645 /nfs/dbraw/zinc/54/26/45/565542645.db2.gz IAWYCUUVQXHDOT-SGIREYDYSA-N 1 0 377.428 2.724 20 0 GFADRO C[NH+](C)C[C@H]1CCCN1S(=O)(=O)Cc1ccc(Br)cc1Cl ZINC000645605268 565544016 /nfs/dbraw/zinc/54/40/16/565544016.db2.gz WCNKVMLBNGQNJH-CYBMUJFWSA-N 1 0 395.750 2.958 20 0 GFADRO C[C@@H]([NH2+][C@@H]1CCN(c2ccc3nncn3n2)C1)c1ccccc1Br ZINC000624113708 565544253 /nfs/dbraw/zinc/54/42/53/565544253.db2.gz LMUSPYFVHXXETH-CHWSQXEVSA-N 1 0 387.285 2.816 20 0 GFADRO C[C@H](C[S@](C)=O)NC(=O)Nc1nc2ccc(C[N@H+](C)C3CC3)cc2s1 ZINC000596997275 565544252 /nfs/dbraw/zinc/54/42/52/565544252.db2.gz CPQDNOIKCDCJQF-NDHGSNPTSA-N 1 0 380.539 2.779 20 0 GFADRO Brc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1CCN(c2ccc3nncn3n2)C1 ZINC000624113261 565544351 /nfs/dbraw/zinc/54/43/51/565544351.db2.gz AOSFFNHIIRKAOY-ZBFHGGJFSA-N 1 0 399.296 2.743 20 0 GFADRO COc1cc(OC)c([C@H](C)[NH2+][C@@H]2CCCC[C@H]2NS(C)(=O)=O)cc1Cl ZINC000624136201 565544945 /nfs/dbraw/zinc/54/49/45/565544945.db2.gz ADDIVMGGUCQSDX-NILFDRSVSA-N 1 0 390.933 2.868 20 0 GFADRO CS(=O)(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCc2sc(Br)cc21 ZINC000624138781 565545694 /nfs/dbraw/zinc/54/56/94/565545694.db2.gz YZGSFWVYLLYCLQ-QJPTWQEYSA-N 1 0 393.372 2.948 20 0 GFADRO C[N@H+]1CC=C(CNS(=O)(=O)c2cc(Cl)ccc2OC(F)(F)F)CC1 ZINC000645641206 565546621 /nfs/dbraw/zinc/54/66/21/565546621.db2.gz YZMODIKBSOTFTR-UHFFFAOYSA-N 1 0 384.807 2.779 20 0 GFADRO CN(CCC[NH+](C)C)C(=O)Nc1ccc(I)cc1F ZINC000597024335 565548269 /nfs/dbraw/zinc/54/82/69/565548269.db2.gz HAOHCFVHSGWNGF-UHFFFAOYSA-N 1 0 379.217 2.846 20 0 GFADRO COC(=O)c1oc(C[NH2+]CCCS(=O)(=O)c2ccc(Cl)cc2)cc1C ZINC000597134194 565552863 /nfs/dbraw/zinc/55/28/63/565552863.db2.gz COOLRSNPMMBMCP-UHFFFAOYSA-N 1 0 385.869 2.982 20 0 GFADRO [NH3+]C[C@H]1CN(S(=O)(=O)c2cccc(Sc3ccccc3)c2)CCCO1 ZINC000624371155 565553782 /nfs/dbraw/zinc/55/37/82/565553782.db2.gz DBYGQZCSVOLJOK-HNNXBMFYSA-N 1 0 378.519 2.576 20 0 GFADRO CCCOc1ccc(S(=O)(=O)N2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1 ZINC000624390568 565554888 /nfs/dbraw/zinc/55/48/88/565554888.db2.gz DNPYMMKXUGBLSO-SWLSCSKDSA-N 1 0 380.432 2.623 20 0 GFADRO C[N@@H+]1C[C@H]2CCN(S(=O)(=O)Cc3cc(Cl)ccc3Br)[C@H]2C1 ZINC000645722233 565554985 /nfs/dbraw/zinc/55/49/85/565554985.db2.gz DVPNZHRDVQMBJD-YGRLFVJLSA-N 1 0 393.734 2.568 20 0 GFADRO C[N@@H+]1C[C@H]2CCN(S(=O)(=O)Cc3ccc(Br)cc3Cl)[C@H]2C1 ZINC000645724271 565555127 /nfs/dbraw/zinc/55/51/27/565555127.db2.gz NUQBMURITDUCCJ-YGRLFVJLSA-N 1 0 393.734 2.568 20 0 GFADRO C[NH+](C)C1(C(=O)NCCSCCOc2cccc(Br)c2)CC1 ZINC000597212087 565555708 /nfs/dbraw/zinc/55/57/08/565555708.db2.gz RPQFNQWGTWAYQG-UHFFFAOYSA-N 1 0 387.343 2.772 20 0 GFADRO C[C@@H]1CC[C@H](NS(=O)(=O)c2cc(Cl)c(Br)cc2F)C[NH2+]1 ZINC000624405641 565556043 /nfs/dbraw/zinc/55/60/43/565556043.db2.gz NQLOMECTXVMMNS-SFYZADRCSA-N 1 0 385.686 2.660 20 0 GFADRO [NH3+]C[C@H]1CN(S(=O)(=O)C2CCC(C(F)(F)F)CC2)CC[C@H]1C(F)(F)F ZINC000624392687 565556084 /nfs/dbraw/zinc/55/60/84/565556084.db2.gz XFWHIPIDLZBVHX-WNYYMSAVSA-N 1 0 396.397 2.896 20 0 GFADRO O=C(Nc1cc(Br)ccc1N1CCOCC1)N[C@@H]1CCC[NH2+]CC1 ZINC000666869497 565561363 /nfs/dbraw/zinc/56/13/63/565561363.db2.gz HEPRSKDEAWUZAW-CQSZACIVSA-N 1 0 397.317 2.549 20 0 GFADRO Cc1cc(CNC(=O)N[C@@H]2CC23CC[NH2+]CC3)ccc1I ZINC000597441911 565561632 /nfs/dbraw/zinc/56/16/32/565561632.db2.gz VZFRUKSERLDMCX-CQSZACIVSA-N 1 0 399.276 2.541 20 0 GFADRO O=C(Cc1ccccc1I)NCC12CCC[NH+]1CCC2 ZINC000597586394 565565164 /nfs/dbraw/zinc/56/51/64/565565164.db2.gz BUFSUPSEDCJRMX-UHFFFAOYSA-N 1 0 384.261 2.578 20 0 GFADRO O=C(Nc1cc(Br)ccc1-n1cccn1)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000667088235 565569584 /nfs/dbraw/zinc/56/95/84/565569584.db2.gz YMPIPQMMJJCRNV-WFASDCNBSA-N 1 0 390.285 2.851 20 0 GFADRO C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1csc(I)c1)C2 ZINC000597717009 565572096 /nfs/dbraw/zinc/57/20/96/565572096.db2.gz VSSCFJKUAIKGKV-CQSZACIVSA-N 1 0 390.290 2.911 20 0 GFADRO CCO[C@H](C(=O)Nc1cc(Br)ccc1N1CC[NH+](C)CC1)C1CC1 ZINC000624715423 565573798 /nfs/dbraw/zinc/57/37/98/565573798.db2.gz CMJHUYQLWSFEBG-KRWDZBQOSA-N 1 0 396.329 2.955 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)c(NC(=O)NCC2C[NH2+]C2)c1C ZINC000667287894 565580385 /nfs/dbraw/zinc/58/03/85/565580385.db2.gz WZSQWLUQZXPMJQ-UHFFFAOYSA-N 1 0 378.274 2.593 20 0 GFADRO O=C(NC[C@@H]1CCCC[NH2+]1)C(=O)Nc1ccc(-c2ccc(Cl)s2)nc1 ZINC000667263131 565580393 /nfs/dbraw/zinc/58/03/93/565580393.db2.gz WBZWUVOQYIZSTK-NSHDSACASA-N 1 0 378.885 2.660 20 0 GFADRO CCC([NH3+])(CC)CNC(=O)C(=O)Nc1cc(Br)c(F)cc1Cl ZINC000667379308 565584628 /nfs/dbraw/zinc/58/46/28/565584628.db2.gz MLAGLJGMEFIAAF-UHFFFAOYSA-N 1 0 394.672 2.814 20 0 GFADRO CC[NH+](CC)CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@H]1CCNC1=O ZINC000667430374 565586759 /nfs/dbraw/zinc/58/67/59/565586759.db2.gz MNRZRYCSOHFXDL-AWEZNQCLSA-N 1 0 386.323 2.800 20 0 GFADRO C[NH+]1CCC2(CC1)CN(C[C@H](O)COc1c(Cl)cccc1Cl)CCO2 ZINC000646103478 565586928 /nfs/dbraw/zinc/58/69/28/565586928.db2.gz VPWRMNHZEYASIX-AWEZNQCLSA-N 1 0 389.323 2.530 20 0 GFADRO C[C@@H]1CN(C(=O)[C@](C)([NH3+])c2ccc(Br)cc2)C[C@H](C(F)(F)F)O1 ZINC000646135907 565587417 /nfs/dbraw/zinc/58/74/17/565587417.db2.gz DAFUPYFEMWHDJN-GAJTVXKRSA-N 1 0 395.219 2.801 20 0 GFADRO CC[N@H+](C)C[C@H]1CCN(S(=O)(=O)c2cc(F)c(Br)cc2C)C1 ZINC000625025177 565590864 /nfs/dbraw/zinc/59/08/64/565590864.db2.gz DBSZTHZRJFBVTK-GFCCVEGCSA-N 1 0 393.322 2.859 20 0 GFADRO CC(C)Oc1ccc(Br)cc1NC(=O)C(=O)N1CCC(C)([NH3+])CC1 ZINC000667511966 565592032 /nfs/dbraw/zinc/59/20/32/565592032.db2.gz BHUOEBJBXSJBPA-UHFFFAOYSA-N 1 0 398.301 2.515 20 0 GFADRO CCOc1c(Cl)cc(NC(=O)C(=O)N2CC[NH2+][C@@H](C(C)C)C2)cc1Cl ZINC000667520481 565592248 /nfs/dbraw/zinc/59/22/48/565592248.db2.gz JLNNYESUNTYDCC-CQSZACIVSA-N 1 0 388.295 2.787 20 0 GFADRO O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000667538812 565593294 /nfs/dbraw/zinc/59/32/94/565593294.db2.gz ODKHUAOMMIHSFA-NOZJJQNGSA-N 1 0 375.778 2.508 20 0 GFADRO CC[C@@H]1CN(C(=O)C(=O)Nc2ccc(Br)c(Cl)c2)CC[C@@H]1[NH3+] ZINC000667546030 565593582 /nfs/dbraw/zinc/59/35/82/565593582.db2.gz CURJCHIRFULKMD-RNCFNFMXSA-N 1 0 388.693 2.627 20 0 GFADRO CC[C@H]1CN(C(=O)C(=O)Nc2cc(Cl)cc(C(F)(F)F)c2)CC[C@H]1[NH3+] ZINC000667546357 565593612 /nfs/dbraw/zinc/59/36/12/565593612.db2.gz IUBWUMBWRDTCTF-TVQRCGJNSA-N 1 0 377.794 2.883 20 0 GFADRO CC[C@@H]1CN(C(=O)C(=O)Nc2cc(Cl)ccc2Br)CC[C@H]1[NH3+] ZINC000667550443 565594477 /nfs/dbraw/zinc/59/44/77/565594477.db2.gz MIBVUNRVMWHMJU-BXKDBHETSA-N 1 0 388.693 2.627 20 0 GFADRO Cc1csc(Sc2ccc(NC(=O)C(=O)NC[C@@H](C)[NH3+])cc2Cl)n1 ZINC000667560048 565594481 /nfs/dbraw/zinc/59/44/81/565594481.db2.gz ZMFMVKBBWPNBSZ-MRVPVSSYSA-N 1 0 384.914 2.658 20 0 GFADRO Cc1cc(C)c(NC(=O)N2CN(CC[NH+](C)C)C(=O)[C@H]2C)c(Br)c1 ZINC000646313949 565595426 /nfs/dbraw/zinc/59/54/26/565595426.db2.gz ADYUIHRXITYNBK-CYBMUJFWSA-N 1 0 397.317 2.650 20 0 GFADRO CC[C@H]1CN(C(=O)Nc2ccc3nccnc3c2Br)CC[C@@H]1[NH3+] ZINC000667590695 565595844 /nfs/dbraw/zinc/59/58/44/565595844.db2.gz MTYVIGAGBPSAMV-QWRGUYRKSA-N 1 0 378.274 2.983 20 0 GFADRO O=C(Nc1ccn(-c2ccc(Br)cc2)n1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000667639578 565598250 /nfs/dbraw/zinc/59/82/50/565598250.db2.gz XCBBQALFDLLWNJ-SWLSCSKDSA-N 1 0 390.285 2.851 20 0 GFADRO C[C@H]([NH3+])CNC(=O)Nc1cnn(Cc2ccc(Br)cc2Cl)c1 ZINC000667675898 565599070 /nfs/dbraw/zinc/59/90/70/565599070.db2.gz DWUVIHJQMXKLQO-VIFPVBQESA-N 1 0 386.681 2.816 20 0 GFADRO O=C(N[C@H]1CC[N@@H+](C2CCCCC2)C1)c1ccc(I)cn1 ZINC000598218494 565602483 /nfs/dbraw/zinc/60/24/83/565602483.db2.gz GJCQCZDTCQQBBJ-ZDUSSCGKSA-N 1 0 399.276 2.823 20 0 GFADRO CC(=O)NCc1ccc(-c2nc(NC(=O)[C@H]3CC[NH2+][C@H]3C)sc2C)s1 ZINC000646420992 565602489 /nfs/dbraw/zinc/60/24/89/565602489.db2.gz NPWOQEWDLXDUMD-ZANVPECISA-N 1 0 378.523 2.753 20 0 GFADRO O=C(N[C@H]1CC[N@@H+](C2CCCCC2)C1)c1cncc(I)c1 ZINC000598218495 565602824 /nfs/dbraw/zinc/60/28/24/565602824.db2.gz GLUFKUJJUSFGJA-AWEZNQCLSA-N 1 0 399.276 2.823 20 0 GFADRO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)c1cncc(I)c1 ZINC000598260345 565605567 /nfs/dbraw/zinc/60/55/67/565605567.db2.gz AZRPQWDRYJJMAT-GFCCVEGCSA-N 1 0 387.265 2.536 20 0 GFADRO CCC[NH2+][C@H](C)C(=O)N1CCN(Cc2cc(Br)ccc2F)CC1 ZINC000646557585 565608314 /nfs/dbraw/zinc/60/83/14/565608314.db2.gz JXWGYVWXPPWLHQ-CYBMUJFWSA-N 1 0 386.309 2.621 20 0 GFADRO O=S(=O)(c1ccc(CC[NH2+][C@H]2CO[C@@H](C3CC3)C2)s1)N1CCCCC1 ZINC000667883826 565610832 /nfs/dbraw/zinc/61/08/32/565610832.db2.gz CSHVLDNGHRPBGQ-NVXWUHKLSA-N 1 0 384.567 2.622 20 0 GFADRO CC[NH2+]CCCNC(=O)c1cnn(-c2ccc(Br)cc2)c1CC ZINC000646624737 565611536 /nfs/dbraw/zinc/61/15/36/565611536.db2.gz IWKBGQVLPBVFMN-UHFFFAOYSA-N 1 0 379.302 2.927 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000646649380 565612267 /nfs/dbraw/zinc/61/22/67/565612267.db2.gz CAYDKEIXNGVXOZ-CQSZACIVSA-N 1 0 377.286 2.815 20 0 GFADRO C[N@@H+]1CCN(CCNC(=O)Nc2cccc(Br)c2F)CC1(C)C ZINC000667919467 565612990 /nfs/dbraw/zinc/61/29/90/565612990.db2.gz GGRPCNDMARFONN-UHFFFAOYSA-N 1 0 387.297 2.736 20 0 GFADRO Cc1cc(Br)c(F)cc1S(=O)(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000625272119 565615099 /nfs/dbraw/zinc/61/50/99/565615099.db2.gz QPXFXEOAVBNKOX-PHIMTYICSA-N 1 0 379.295 2.515 20 0 GFADRO COc1cc(C(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)ccc1Br ZINC000625281277 565616306 /nfs/dbraw/zinc/61/63/06/565616306.db2.gz QNDPSNIQXKOZOB-AWEZNQCLSA-N 1 0 385.302 2.641 20 0 GFADRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1cc(Br)cc2[nH]c(=O)[nH]c21 ZINC000646741841 565616895 /nfs/dbraw/zinc/61/68/95/565616895.db2.gz JJZSEIMNWMZGTD-QWRGUYRKSA-N 1 0 395.301 2.881 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CN(C(=O)CCc2nc3cc(Br)ccc3s2)CCO1 ZINC000646841461 565622125 /nfs/dbraw/zinc/62/21/25/565622125.db2.gz XOHWNLMHUMTTEA-MFKMUULPSA-N 1 0 398.326 2.566 20 0 GFADRO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)Cc1ccc(Br)c(Cl)c1 ZINC000668040804 565623143 /nfs/dbraw/zinc/62/31/43/565623143.db2.gz CSVAEZGDNULLKL-RYUDHWBXSA-N 1 0 389.721 2.559 20 0 GFADRO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)Cc1ccc(Br)c(Cl)c1 ZINC000668040805 565623627 /nfs/dbraw/zinc/62/36/27/565623627.db2.gz CSVAEZGDNULLKL-VXGBXAGGSA-N 1 0 389.721 2.559 20 0 GFADRO C[N@@H+]1C[C@@H]2CCN(C(=O)C3(c4ccc(Br)cc4)CCOCC3)[C@@H]2C1 ZINC000646915976 565625351 /nfs/dbraw/zinc/62/53/51/565625351.db2.gz YUQVWCVEMUUQKD-WMLDXEAASA-N 1 0 393.325 2.660 20 0 GFADRO C[N@@H+]1C[C@H]2CCN(C(=O)CCCC(=O)c3ccc(Br)cc3)[C@H]2C1 ZINC000646922695 565626814 /nfs/dbraw/zinc/62/68/14/565626814.db2.gz PKUQKZVPRZAADY-ZBFHGGJFSA-N 1 0 379.298 2.965 20 0 GFADRO C[NH+](C)CC1(CNC(=O)c2cc(Br)cc3[nH]c(=O)[nH]c32)CCCC1 ZINC000646957934 565630367 /nfs/dbraw/zinc/63/03/67/565630367.db2.gz VTVHZCSSZWVHOX-UHFFFAOYSA-N 1 0 395.301 2.883 20 0 GFADRO [NH3+][C@]12CCC[C@H]1CN(C(=O)c1ccc(I)cc1Cl)C2 ZINC000598669910 565633999 /nfs/dbraw/zinc/63/39/99/565633999.db2.gz NPORTGJOYBMUJL-XPTSAGLGSA-N 1 0 390.652 2.898 20 0 GFADRO C[C@@H]([NH3+])[C@@H](C)NC(=O)c1nn(-c2cccc(Br)c2)c2c1CCC2 ZINC000647068519 565635537 /nfs/dbraw/zinc/63/55/37/565635537.db2.gz COKZOZVAJPQHBG-GHMZBOCLSA-N 1 0 377.286 2.589 20 0 GFADRO O=C(c1ccc(-n2cc(Br)cn2)cc1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000647059297 565635798 /nfs/dbraw/zinc/63/57/98/565635798.db2.gz AUNFNRNCKDOESV-GASCZTMLSA-N 1 0 389.297 2.706 20 0 GFADRO Fc1cc(Br)cc(OCC[NH+]2CCC(N3CCOCC3)CC2)c1 ZINC000625546736 565637713 /nfs/dbraw/zinc/63/77/13/565637713.db2.gz SBLFGEWRFJNAMM-UHFFFAOYSA-N 1 0 387.293 2.764 20 0 GFADRO CCN(C(=O)C(=O)N[C@@H](C)c1cc(F)c(Cl)cc1Cl)[C@H]1CC[N@H+](C)C1 ZINC000668370534 565644787 /nfs/dbraw/zinc/64/47/87/565644787.db2.gz ZIOSFGIDTSKLQW-QWRGUYRKSA-N 1 0 390.286 2.862 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)C(=O)NCCSc1ccc(Cl)cc1 ZINC000668391432 565645766 /nfs/dbraw/zinc/64/57/66/565645766.db2.gz OJGSYGMKILBGHC-CQSZACIVSA-N 1 0 383.945 2.537 20 0 GFADRO CCCC[C@H](C[NH3+])NS(=O)(=O)c1ccc2c(Br)cn(C)c2c1 ZINC000647233288 565646708 /nfs/dbraw/zinc/64/67/08/565646708.db2.gz CHKJNCVJDMOFBW-LLVKDONJSA-N 1 0 388.331 2.737 20 0 GFADRO COCC[N@@H+]1CC[C@@H](NC(=O)c2cc(-c3cccc(Br)c3)no2)C1 ZINC000668435471 565647477 /nfs/dbraw/zinc/64/74/77/565647477.db2.gz HJDHCIKIFJKNNO-CQSZACIVSA-N 1 0 394.269 2.555 20 0 GFADRO C[C@@H]1Cc2cc(S(=O)(=O)N3CCC[C@H]([C@H]4CCC[NH2+]4)C3)cc(Cl)c2O1 ZINC000647237585 565647991 /nfs/dbraw/zinc/64/79/91/565647991.db2.gz HEPFYZKXBXOIFC-IIYDPXPESA-N 1 0 384.929 2.816 20 0 GFADRO Cc1cc(Br)c(S(=O)(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)s1 ZINC000647237801 565648236 /nfs/dbraw/zinc/64/82/36/565648236.db2.gz WMVUCJGDGQUMBL-AAEUAGOBSA-N 1 0 393.372 2.972 20 0 GFADRO COc1cc(Cl)c(S(=O)(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cc1OC ZINC000647237968 565648308 /nfs/dbraw/zinc/64/83/08/565648308.db2.gz BDNNEBRXWUJICY-TZMCWYRMSA-N 1 0 388.917 2.510 20 0 GFADRO Cn1cc(CN2C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C2)c(-c2cccs2)n1 ZINC000668470515 565648725 /nfs/dbraw/zinc/64/87/25/565648725.db2.gz ZHYKTKUQXJBTIF-AAEUAGOBSA-N 1 0 393.456 2.556 20 0 GFADRO O=S(=O)(c1cc(Br)ccc1F)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647237590 565648770 /nfs/dbraw/zinc/64/87/70/565648770.db2.gz HGWLWAIHTBTIMB-RISCZKNCSA-N 1 0 391.306 2.741 20 0 GFADRO O=S(=O)(c1ccc(C(F)(F)F)cc1F)N1CCC2(CC[NH2+]CC2)CC1 ZINC000647261997 565649090 /nfs/dbraw/zinc/64/90/90/565649090.db2.gz KVWRYZVYBFZAMV-UHFFFAOYSA-N 1 0 380.407 2.999 20 0 GFADRO COCCOc1c(Cl)cc(S(=O)(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)cc1Cl ZINC000647259725 565649264 /nfs/dbraw/zinc/64/92/64/565649264.db2.gz SDBJOPFXNPGLRN-GHMZBOCLSA-N 1 0 397.324 2.567 20 0 GFADRO [NH3+][C@H]1CCC[C@H](NS(=O)(=O)Cc2ccc(Cl)cc2Br)C1 ZINC000647259742 565649393 /nfs/dbraw/zinc/64/93/93/565649393.db2.gz TUTVRJQCZWBTBG-RYUDHWBXSA-N 1 0 381.723 2.792 20 0 GFADRO CC[C@H]1CN(S(=O)(=O)c2cnn(-c3ccc(Cl)cc3)c2C)CC[C@@H]1[NH3+] ZINC000647269482 565651491 /nfs/dbraw/zinc/65/14/91/565651491.db2.gz UDOUHSZPDPOWRJ-BBRMVZONSA-N 1 0 382.917 2.582 20 0 GFADRO CC[C@H]1CN(S(=O)(=O)c2cccc(Br)c2Cl)CC[C@H]1[NH3+] ZINC000647268493 565651828 /nfs/dbraw/zinc/65/18/28/565651828.db2.gz CYCGPWRUWZUAMV-GXSJLCMTSA-N 1 0 381.723 2.850 20 0 GFADRO FC(F)CN1CCC[C@@H]1C[NH2+]Cc1ncc(I)s1 ZINC000598988593 565652842 /nfs/dbraw/zinc/65/28/42/565652842.db2.gz SKZQMADPVFWUON-MRVPVSSYSA-N 1 0 387.237 2.567 20 0 GFADRO [NH3+][C@@H]1CN(S(=O)(=O)C2CCC(C(F)(F)F)CC2)C[C@H]1c1ccccc1 ZINC000647290084 565655250 /nfs/dbraw/zinc/65/52/50/565655250.db2.gz VZWHSESRTQUUSJ-SSHXOBKSSA-N 1 0 376.444 2.864 20 0 GFADRO O=S(=O)(Cc1ccc(Cl)cc1Br)N[C@@H]1CC12CC[NH2+]CC2 ZINC000647303214 565655705 /nfs/dbraw/zinc/65/57/05/565655705.db2.gz NAKITFTZBQSSOE-CYBMUJFWSA-N 1 0 393.734 2.664 20 0 GFADRO Cc1cc(Br)cc(C)c1S(=O)(=O)NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000647316810 565656368 /nfs/dbraw/zinc/65/63/68/565656368.db2.gz VRWULBIMUBIWFX-JSGCOSHPSA-N 1 0 375.332 2.862 20 0 GFADRO C[C@H](C[C@H](C)[NH3+])NS(=O)(=O)c1ccc(Br)cc1C(F)(F)F ZINC000647335848 565657769 /nfs/dbraw/zinc/65/77/69/565657769.db2.gz XYXCKKOUNSBSOF-JGVFFNPUSA-N 1 0 389.237 2.872 20 0 GFADRO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+][C@@H]1CCO[C@@H](c2cccnc2)C1 ZINC000647338722 565658113 /nfs/dbraw/zinc/65/81/13/565658113.db2.gz XDLVDWVLVIWNME-IAOVAPTHSA-N 1 0 392.297 2.904 20 0 GFADRO CC(C)N1CCC[C@H]([NH2+][C@]2(CO)CCc3cc(Br)ccc3C2)C1=O ZINC000625795389 565659639 /nfs/dbraw/zinc/65/96/39/565659639.db2.gz TZLPHGLHPROIKH-PKOBYXMFSA-N 1 0 395.341 2.658 20 0 GFADRO CC(C)C[C@H](CNC(=O)c1cc(Br)cc2[nH]c(=O)[nH]c21)[NH+](C)C ZINC000668669545 565660448 /nfs/dbraw/zinc/66/04/48/565660448.db2.gz VZNSXBCSYUNYIZ-LLVKDONJSA-N 1 0 383.290 2.737 20 0 GFADRO COc1cc(C[NH2+][C@@]2(CO)CCc3cc(Br)ccc3C2)ccn1 ZINC000625796027 565660682 /nfs/dbraw/zinc/66/06/82/565660682.db2.gz CVYFLDLDTCIVOT-SFHVURJKSA-N 1 0 377.282 2.862 20 0 GFADRO CC(C)N(C(=O)C[NH2+][C@]1(CO)CCc2cc(Br)ccc2C1)C(C)C ZINC000625795467 565660688 /nfs/dbraw/zinc/66/06/88/565660688.db2.gz WTBVSZJWDFSIMM-LJQANCHMSA-N 1 0 397.357 2.904 20 0 GFADRO CC[NH+]1CCN([C@@H](C)CNC(=O)c2cc3cc(Br)sc3[nH]2)CC1 ZINC000668673887 565661055 /nfs/dbraw/zinc/66/10/55/565661055.db2.gz BMAWLMVKEBTFPJ-NSHDSACASA-N 1 0 399.358 2.748 20 0 GFADRO CCN(C(=O)C(=O)NCCc1cc(Cl)cc(Cl)c1)[C@H]1CC[N@H+](CC)C1 ZINC000668667358 565661129 /nfs/dbraw/zinc/66/11/29/565661129.db2.gz WAKZGVMMAODQGV-INIZCTEOSA-N 1 0 386.323 2.595 20 0 GFADRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)Nc1cc(Br)cc(C(=O)N2CCCC2)c1 ZINC000647476127 565661773 /nfs/dbraw/zinc/66/17/73/565661773.db2.gz SLHGSICEUUPTEY-VXGBXAGGSA-N 1 0 397.317 2.932 20 0 GFADRO C[NH2+]CCOCCN(C)C(=O)Nc1cc(Cl)ccc1N1CCSCC1 ZINC000625855072 565662615 /nfs/dbraw/zinc/66/26/15/565662615.db2.gz BBJXVCJEUOWJOH-UHFFFAOYSA-N 1 0 386.949 2.593 20 0 GFADRO C[C@@H](NC(=O)c1cc(Br)cc2c1OCCO2)C1CC[NH+](C)CC1 ZINC000668701522 565662620 /nfs/dbraw/zinc/66/26/20/565662620.db2.gz QDPHAFTVNWSZGN-LLVKDONJSA-N 1 0 383.286 2.680 20 0 GFADRO OC[C@H](C[NH2+]C[C@@H](O)Cc1ccc(F)cc1)Cc1cccc(Br)c1 ZINC000647535053 565664140 /nfs/dbraw/zinc/66/41/40/565664140.db2.gz COBXAFZTRWQVIR-LPHOPBHVSA-N 1 0 396.300 2.932 20 0 GFADRO [NH3+]CCCOCCNC(=O)Nc1ccnn1Cc1cccc(Cl)c1Cl ZINC000625880733 565664315 /nfs/dbraw/zinc/66/43/15/565664315.db2.gz LCMBEAIRGFKWOJ-UHFFFAOYSA-N 1 0 386.283 2.725 20 0 GFADRO C[C@H]1CC[C@H](NC(=O)Nc2ccnn2Cc2ccccc2Br)C[NH2+]1 ZINC000625880631 565664492 /nfs/dbraw/zinc/66/44/92/565664492.db2.gz GPFDAZLFUHZOSM-JSGCOSHPSA-N 1 0 392.301 2.956 20 0 GFADRO C[NH+](C)CC1CCC(NC(=O)C(=O)NCc2ccc(Cl)c(Cl)c2)CC1 ZINC000668777729 565665635 /nfs/dbraw/zinc/66/56/35/565665635.db2.gz WIAVTZWRMHKWRU-UHFFFAOYSA-N 1 0 386.323 2.846 20 0 GFADRO C[NH+](C)CCC[C@@H]1CN(Cc2cc(Br)c3c(c2)OCCO3)CCO1 ZINC000668784470 565666151 /nfs/dbraw/zinc/66/61/51/565666151.db2.gz GLSZSNLTTATQDO-OAHLLOKOSA-N 1 0 399.329 2.763 20 0 GFADRO Cc1nn(-c2cccc(Br)c2)cc1C[N@@H+](C)C1(CO)CCOCC1 ZINC000668804399 565666752 /nfs/dbraw/zinc/66/67/52/565666752.db2.gz SKWPMWZBVXPTBQ-UHFFFAOYSA-N 1 0 394.313 2.917 20 0 GFADRO C[NH+](C)C[C@]1(O)CCCN(C(=O)c2cc(Cl)cc(F)c2Br)C1 ZINC000647624703 565667178 /nfs/dbraw/zinc/66/71/78/565667178.db2.gz KIHCCUFMYQVRBE-OAHLLOKOSA-N 1 0 393.684 2.770 20 0 GFADRO C[NH+]1CC2(C1)CCN(C(=O)C1(c3ccc(Br)cc3)CCOCC1)C2 ZINC000647621849 565667192 /nfs/dbraw/zinc/66/71/92/565667192.db2.gz DGPLFBBSNHXFRW-UHFFFAOYSA-N 1 0 393.325 2.661 20 0 GFADRO CC1([NH+]2CCOCC2)CCN(Cc2cn3cc(Br)ccc3n2)CC1 ZINC000625959528 565667303 /nfs/dbraw/zinc/66/73/03/565667303.db2.gz YODKCVPMTINLOZ-UHFFFAOYSA-N 1 0 393.329 2.784 20 0 GFADRO CC[C@H](C[NH+]1CCCC1)NC(=O)c1cc(Br)cc2[nH]c(=O)[nH]c21 ZINC000668829503 565668507 /nfs/dbraw/zinc/66/85/07/565668507.db2.gz NHPZFOXDQPRCNF-LLVKDONJSA-N 1 0 381.274 2.635 20 0 GFADRO C[C@H]1COCC[N@@H+]1C1CCN(C(=O)Cc2ccc(Br)c(F)c2)CC1 ZINC000647764401 565674684 /nfs/dbraw/zinc/67/46/84/565674684.db2.gz XZAVCFQCVDGRBW-ZDUSSCGKSA-N 1 0 399.304 2.842 20 0 GFADRO CS(=O)(=O)N1CCC[C@@H](C[NH2+][C@@H](CCO)c2cc(Cl)cc(Cl)c2)C1 ZINC000626100842 565675205 /nfs/dbraw/zinc/67/52/05/565675205.db2.gz ADEAMTVWVTUDSR-LRDDRELGSA-N 1 0 395.352 2.678 20 0 GFADRO CN(CCN1CC[NH2+]CC1)C(=O)C1(c2cccc(Br)c2)CCCC1 ZINC000647774579 565675646 /nfs/dbraw/zinc/67/56/46/565675646.db2.gz JPOZYAGAKXYFEU-UHFFFAOYSA-N 1 0 394.357 2.625 20 0 GFADRO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)[C@@]12CCC(=O)N1c1cc(Cl)ccc1S2 ZINC000647833057 565679533 /nfs/dbraw/zinc/67/95/33/565679533.db2.gz JELWDLONIXURBD-BVRBVLIYSA-N 1 0 379.913 2.820 20 0 GFADRO CC(=O)NC[C@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc(Br)cc1 ZINC000626155845 565680174 /nfs/dbraw/zinc/68/01/74/565680174.db2.gz XYDLIMOQBKYXHQ-MRXNPFEDSA-N 1 0 382.302 2.768 20 0 GFADRO CC(C)(CNC(=O)C(=O)NCc1ccc(Cl)c(Cl)c1)C[NH+]1CCCC1 ZINC000669182659 565681428 /nfs/dbraw/zinc/68/14/28/565681428.db2.gz IBQYLGRIFNKBRY-UHFFFAOYSA-N 1 0 386.323 2.848 20 0 GFADRO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]([C@@H](C)c2ccccc2Br)C1 ZINC000626169959 565681660 /nfs/dbraw/zinc/68/16/60/565681660.db2.gz WEHZJXHKMVXMAX-QWHCGFSZSA-N 1 0 375.332 2.771 20 0 GFADRO CC(C)([NH3+])CCC(=O)Nc1nc(-c2ccc(NS(C)(=O)=O)cc2)cs1 ZINC000647914344 565683826 /nfs/dbraw/zinc/68/38/26/565683826.db2.gz WWLOVVODVCDSAB-UHFFFAOYSA-N 1 0 382.511 2.638 20 0 GFADRO CC(C)[C@H]1CN([C@H](C)C(=O)N(C)Cc2ccc(Br)cc2)CC[NH2+]1 ZINC000647929448 565684201 /nfs/dbraw/zinc/68/42/01/565684201.db2.gz IHWPRGQYYAJMIN-RHSMWYFYSA-N 1 0 382.346 2.726 20 0 GFADRO O=C(CN1CC[C@@]2(C1)CCC[NH2+]C2)Nc1c(F)cc(F)cc1Br ZINC000647957116 565684388 /nfs/dbraw/zinc/68/43/88/565684388.db2.gz RZOQVMCOMKZVKZ-INIZCTEOSA-N 1 0 388.256 2.741 20 0 GFADRO CC[NH+](CC)C[C@@H]1CCN(C(=O)c2cc(Br)cc3[nH]c(=O)[nH]c32)C1 ZINC000669338617 565686078 /nfs/dbraw/zinc/68/60/78/565686078.db2.gz IRVUORDHOPJBDK-NSHDSACASA-N 1 0 395.301 2.835 20 0 GFADRO CC[NH+](CC)[C@H]1CCN(C(=O)c2cc(Br)cc3c2OCCO3)C1 ZINC000669359061 565686089 /nfs/dbraw/zinc/68/60/89/565686089.db2.gz HAYRWPONQGCRBZ-ZDUSSCGKSA-N 1 0 383.286 2.777 20 0 GFADRO Cc1ccc(C(=O)N2CCN(C(=O)[C@H]([NH3+])c3cccc(Cl)c3)CC2)s1 ZINC000648015397 565687621 /nfs/dbraw/zinc/68/76/21/565687621.db2.gz CRIGUGSJMWFJFX-MRXNPFEDSA-N 1 0 377.897 2.694 20 0 GFADRO O=C(NC[C@@H]1CCN(c2cccc(Br)c2)C1)NC[C@H]1CCCC[NH2+]1 ZINC000669411044 565687759 /nfs/dbraw/zinc/68/77/59/565687759.db2.gz SQDPOGDBLZOHTM-GOEBONIOSA-N 1 0 395.345 2.717 20 0 GFADRO CC[C@@H]1CN(C(=O)NC[C@@H](C)Oc2ccc(Br)cc2)CC[C@H]1[NH3+] ZINC000669506347 565691163 /nfs/dbraw/zinc/69/11/63/565691163.db2.gz VAXHQDSJVSWWOA-XJKCOSOUSA-N 1 0 384.318 2.985 20 0 GFADRO COC(=O)c1cc(NC(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)c(C)cc1Br ZINC000599605258 565692423 /nfs/dbraw/zinc/69/24/23/565692423.db2.gz XRIXMBQTAWOLBS-GHMZBOCLSA-N 1 0 384.274 2.806 20 0 GFADRO COC(=O)c1cc(F)c(Br)cc1NC(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000599606966 565692877 /nfs/dbraw/zinc/69/28/77/565692877.db2.gz SHLSTVYESLKXJV-DTWKUNHWSA-N 1 0 388.237 2.637 20 0 GFADRO O=C(NCCc1c[nH]c2cccc(Br)c12)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000669588504 565694242 /nfs/dbraw/zinc/69/42/42/565694242.db2.gz RBFSYVHWFCAAON-ZFWWWQNUSA-N 1 0 391.313 2.866 20 0 GFADRO CC1(C)Cc2c(cccc2Br)[C@H]1NC(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000669590389 565694288 /nfs/dbraw/zinc/69/42/88/565694288.db2.gz RQZHAKTZMQJFHW-MLGOLLRUSA-N 1 0 396.329 2.832 20 0 GFADRO CC1(C)Cc2c(cccc2Br)[C@@H]1NC(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000669590388 565694489 /nfs/dbraw/zinc/69/44/89/565694489.db2.gz RQZHAKTZMQJFHW-LRDDRELGSA-N 1 0 396.329 2.832 20 0 GFADRO O=C(NCCc1c[nH]c2cccc(Br)c12)N[C@@H]1CCC[NH2+]CC1 ZINC000669588484 565694593 /nfs/dbraw/zinc/69/45/93/565694593.db2.gz MCXGRKUTTYSLEP-CYBMUJFWSA-N 1 0 379.302 2.914 20 0 GFADRO O[C@@H]1CC[C@H]2CC[N@H+](CCCOc3cccc(I)c3)[C@@H]12 ZINC000599682257 565696444 /nfs/dbraw/zinc/69/64/44/565696444.db2.gz XROLRZGCPYKFTO-APHBMKBZSA-N 1 0 387.261 2.905 20 0 GFADRO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)c1c2ccc(Br)cc2nn1C ZINC000648296078 565700830 /nfs/dbraw/zinc/70/08/30/565700830.db2.gz KWGKCCOUNAJVLH-OAHLLOKOSA-N 1 0 379.302 2.748 20 0 GFADRO Cc1ccc(CC(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)c(Br)c1 ZINC000648316140 565702525 /nfs/dbraw/zinc/70/25/25/565702525.db2.gz IERBEJRLNCBAQW-MRXNPFEDSA-N 1 0 394.357 2.585 20 0 GFADRO C[C@@H]([NH2+][C@H](C)c1ccsc1)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC000669828063 565703442 /nfs/dbraw/zinc/70/34/42/565703442.db2.gz BAZIDQZSWDTCGP-CHWSQXEVSA-N 1 0 381.523 2.676 20 0 GFADRO CC[N@@H+]1C[C@@H](C)N(C(=O)c2c3ccc(Br)cc3nn2C)C[C@@H]1C ZINC000648341001 565704637 /nfs/dbraw/zinc/70/46/37/565704637.db2.gz FLGTZQLDBIDWEO-NWDGAFQWSA-N 1 0 379.302 2.891 20 0 GFADRO CSc1ccc(NC(=O)C(=O)N(C)CC(C)(C)C[NH3+])cc1Br ZINC000626832956 565712516 /nfs/dbraw/zinc/71/25/16/565712516.db2.gz BVCSYWYARWIYML-UHFFFAOYSA-N 1 0 388.331 2.553 20 0 GFADRO CSc1ccc(NC(=O)C(=O)N[C@H]2CC[NH2+]C23CCC3)cc1Br ZINC000626852523 565713019 /nfs/dbraw/zinc/71/30/19/565713019.db2.gz KBFLKZHBBKGMMS-ZDUSSCGKSA-N 1 0 398.326 2.510 20 0 GFADRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)Nc1c(C)cc(Br)cc1Cl ZINC000626866345 565714514 /nfs/dbraw/zinc/71/45/14/565714514.db2.gz OOVODNMCUSENCO-NWDGAFQWSA-N 1 0 388.693 2.606 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)NCCOc2cccc(Cl)c2)CC[C@@H]1C(F)(F)F ZINC000626941192 565716342 /nfs/dbraw/zinc/71/63/42/565716342.db2.gz YWKGATUJGXQTIT-FZMZJTMJSA-N 1 0 379.810 2.888 20 0 GFADRO CC(C)c1nc(CCNC(=O)N2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)cs1 ZINC000626967343 565716791 /nfs/dbraw/zinc/71/67/91/565716791.db2.gz XAQDPGGNYYHHNB-DGCLKSJQSA-N 1 0 378.464 2.978 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000626964463 565716920 /nfs/dbraw/zinc/71/69/20/565716920.db2.gz GNAMMHRKFLWTCP-JSGCOSHPSA-N 1 0 397.317 2.526 20 0 GFADRO C[C@@H]1CC[C@H](NC(=O)NCc2cc(Br)ccc2OC(F)F)C[NH2+]1 ZINC000626961882 565717166 /nfs/dbraw/zinc/71/71/66/565717166.db2.gz KHXKNGVGBOIOFQ-SKDRFNHKSA-N 1 0 392.244 2.990 20 0 GFADRO C[C@H]1CC[C@H](NC(=O)NCCOc2ncc(C(F)(F)F)cc2Cl)C[NH2+]1 ZINC000626985148 565717733 /nfs/dbraw/zinc/71/77/33/565717733.db2.gz PWISGRBZGKBRDW-ONGXEEELSA-N 1 0 380.798 2.572 20 0 GFADRO [NH3+]C1(CNC(=O)NCCOc2c(Cl)cc(Cl)cc2Cl)CCOCC1 ZINC000626995326 565718112 /nfs/dbraw/zinc/71/81/12/565718112.db2.gz SFLVPJKMSOYKOJ-UHFFFAOYSA-N 1 0 396.702 2.833 20 0 GFADRO C[C@H](CS(C)(=O)=O)C(=O)Nc1ccc(SCC[NH+]2CCCCC2)cc1 ZINC000648563632 565718568 /nfs/dbraw/zinc/71/85/68/565718568.db2.gz AYZLYAORACXLGJ-OAHLLOKOSA-N 1 0 384.567 2.884 20 0 GFADRO CC[C@H](Cc1ccccc1Br)NC(=O)NC1(C[NH3+])CCOCC1 ZINC000626999185 565718784 /nfs/dbraw/zinc/71/87/84/565718784.db2.gz CVIWYVRGYHLWKC-CQSZACIVSA-N 1 0 384.318 2.577 20 0 GFADRO C[C@@H]1CC[C@H](NC(=O)NCCc2c[nH]c3cccc(Br)c23)C[NH2+]1 ZINC000627037760 565720445 /nfs/dbraw/zinc/72/04/45/565720445.db2.gz BSCFXKVYLQPNPE-YPMHNXCESA-N 1 0 379.302 2.913 20 0 GFADRO C[C@@H]1C[C@@H](c2ccc(Br)cc2)CN1C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000627103635 565721838 /nfs/dbraw/zinc/72/18/38/565721838.db2.gz VYBXCRKQSLFIJM-FRFSOERESA-N 1 0 396.329 2.715 20 0 GFADRO COCC[NH2+]CCNC(=O)N1C[C@@H](c2ccc(Br)cc2)C[C@H]1C ZINC000627083894 565721868 /nfs/dbraw/zinc/72/18/68/565721868.db2.gz WYNZJFGUWFWWPK-HIFRSBDPSA-N 1 0 384.318 2.573 20 0 GFADRO C[NH2+]CCOCCNC(=O)N1CCC[C@H]1c1cc(F)cc(Br)c1 ZINC000627173713 565724741 /nfs/dbraw/zinc/72/47/41/565724741.db2.gz GRCZZMZELBOCLZ-HNNXBMFYSA-N 1 0 388.281 2.671 20 0 GFADRO [NH3+]C[C@]12CCC[C@H]1CN(C(=O)NCc1ccc(Br)c(F)c1F)C2 ZINC000627181832 565725175 /nfs/dbraw/zinc/72/51/75/565725175.db2.gz WVRLFPOIKVNUBK-ZBEGNZNMSA-N 1 0 388.256 2.998 20 0 GFADRO C[NH2+]CCOCCNC(=O)N(Cc1cc(Br)ccc1F)C(C)C ZINC000627178356 565725286 /nfs/dbraw/zinc/72/52/86/565725286.db2.gz QPENDEVHGRQWFT-UHFFFAOYSA-N 1 0 390.297 2.744 20 0 GFADRO CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)NCCc1ccc(Cl)cc1Cl ZINC000670494274 565725461 /nfs/dbraw/zinc/72/54/61/565725461.db2.gz IJHXSTIHCYSXFR-OAHLLOKOSA-N 1 0 386.323 2.643 20 0 GFADRO C[C@@H]1CC[C@@H](NC(=O)N2CCO[C@H](c3cccc(Br)c3)C2)C[NH2+]1 ZINC000627194123 565725684 /nfs/dbraw/zinc/72/56/84/565725684.db2.gz CBVWDTUFHFPZHT-WQVCFCJDSA-N 1 0 382.302 2.673 20 0 GFADRO C[C@H](CC(=O)N[C@H](Cc1ccccc1)C[NH+](C)C)n1cc(Br)cn1 ZINC000648743251 565725945 /nfs/dbraw/zinc/72/59/45/565725945.db2.gz SUYWURYCJNVMTL-RHSMWYFYSA-N 1 0 393.329 2.886 20 0 GFADRO COc1cc(Br)c(Cl)cc1C(=O)NCCN1CCOC[C@@H]1C ZINC000648769071 565727709 /nfs/dbraw/zinc/72/77/09/565727709.db2.gz GBQMGAQUXVTUKO-JTQLQIEISA-N 1 0 391.693 2.562 20 0 GFADRO O=C([C@@H]1CCc2cc(Br)ccc21)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000648774277 565728758 /nfs/dbraw/zinc/72/87/58/565728758.db2.gz QPZXMHMQEJDGTA-KURKYZTESA-N 1 0 393.325 2.537 20 0 GFADRO O=C(c1sc2ccccc2c1Br)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000627267324 565730358 /nfs/dbraw/zinc/73/03/58/565730358.db2.gz MPGISGYRFHZYRN-NEPJUHHUSA-N 1 0 395.322 2.945 20 0 GFADRO Cc1cccc(CC(=O)N(C)CCC[N@@H+](C)CCN(C)C)c1Br ZINC000627321224 565732900 /nfs/dbraw/zinc/73/29/00/565732900.db2.gz GUALXQPLJHDQMP-UHFFFAOYSA-N 1 0 384.362 2.642 20 0 GFADRO Cc1cn2c(n1)C[C@H](C(=O)N[C@@H](CO)c1ccc(Br)c(F)c1)CC2 ZINC000627505530 565738172 /nfs/dbraw/zinc/73/81/72/565738172.db2.gz SHAIDWGYKHZMJD-DOMZBBRYSA-N 1 0 396.260 2.505 20 0 GFADRO CN(C(=O)c1ccc2c[nH+]cn2c1)[C@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000670812058 565738673 /nfs/dbraw/zinc/73/86/73/565738673.db2.gz CILWVOFVRXANSM-HNNXBMFYSA-N 1 0 375.837 2.588 20 0 GFADRO Cn1nc2cc(Br)ccc2c1C(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000648914836 565739340 /nfs/dbraw/zinc/73/93/40/565739340.db2.gz YCYIKTAHLVJWPG-GOSISDBHSA-N 1 0 391.313 2.894 20 0 GFADRO CCCN(C(=O)CCNC(=O)c1ccc(Br)cc1)[C@@H]1CC[N@H+](C)C1 ZINC000649004168 565743954 /nfs/dbraw/zinc/74/39/54/565743954.db2.gz USXBYYUUTGIJIQ-MRXNPFEDSA-N 1 0 396.329 2.512 20 0 GFADRO CC[NH+](CC)[C@H](CNC(=O)C(=O)NC[C@]1(C)CCCS1)c1ccsc1 ZINC000670969743 565748735 /nfs/dbraw/zinc/74/87/35/565748735.db2.gz BSMSJNJRYRPDEE-QAPCUYQASA-N 1 0 383.583 2.649 20 0 GFADRO C[NH+]1CCC2(CC1)CN(C(=O)CCc1cc(Br)ccc1F)CCO2 ZINC000649131408 565749057 /nfs/dbraw/zinc/74/90/57/565749057.db2.gz KOMKLIHXRYXPHA-UHFFFAOYSA-N 1 0 399.304 2.844 20 0 GFADRO O=C(Cc1ccc(Br)cc1F)N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000627742576 565749923 /nfs/dbraw/zinc/74/99/23/565749923.db2.gz BNYDKICVGWKZGP-UHFFFAOYSA-N 1 0 399.304 2.844 20 0 GFADRO C[C@H](NC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cccc(Cl)c1Cl ZINC000671107471 565751413 /nfs/dbraw/zinc/75/14/13/565751413.db2.gz GULNMAIJJZAISL-YNEHKIRRSA-N 1 0 384.307 2.914 20 0 GFADRO Brc1ccccc1N1CC[C@H]([NH2+]C[C@@H]2CNc3ccnn3C2)C1 ZINC000600815368 565751748 /nfs/dbraw/zinc/75/17/48/565751748.db2.gz XJNOZQHYAFIYNF-KGLIPLIRSA-N 1 0 376.302 2.556 20 0 GFADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)NCC(C)(C)c1c(Cl)cccc1Cl ZINC000600905734 565756203 /nfs/dbraw/zinc/75/62/03/565756203.db2.gz LMZIDQITWRCZSR-CYBMUJFWSA-N 1 0 387.355 2.816 20 0 GFADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)N1CCC[C@H]1c1cccc(Br)c1 ZINC000600905208 565756263 /nfs/dbraw/zinc/75/62/63/565756263.db2.gz FMDSFGUOTUXEAN-SJORKVTESA-N 1 0 395.345 2.541 20 0 GFADRO [NH3+][C@@H](C(=O)NC[C@H](c1cccs1)N1CCOCC1)c1cccc(Cl)c1 ZINC000649277248 565757242 /nfs/dbraw/zinc/75/72/42/565757242.db2.gz POPOXPWLCKMOPF-NVXWUHKLSA-N 1 0 379.913 2.591 20 0 GFADRO CN(C)c1ncc(Br)cc1C(=O)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000649363601 565759271 /nfs/dbraw/zinc/75/92/71/565759271.db2.gz IFFZYUSCHWKGPK-KBPBESRZSA-N 1 0 395.345 2.762 20 0 GFADRO Cc1ccc(CN2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)c(Br)c1 ZINC000649393459 565760315 /nfs/dbraw/zinc/76/03/15/565760315.db2.gz QCKXDMKCXUNFGL-QGZVFWFLSA-N 1 0 380.330 2.672 20 0 GFADRO O=C(c1cc2cc(Br)sc2[nH]1)N1CCC([NH+]2CCOCC2)CC1 ZINC000628126382 565775271 /nfs/dbraw/zinc/77/52/71/565775271.db2.gz OGNIHQCKDZMDCM-UHFFFAOYSA-N 1 0 398.326 2.929 20 0 GFADRO C[C@@H](CO)[N@H+](C)Cc1cc(Cl)cc(Cl)c1OCCN1CCOCC1 ZINC000628279024 565781950 /nfs/dbraw/zinc/78/19/50/565781950.db2.gz QUIAHAULDUXGAJ-ZDUSSCGKSA-N 1 0 377.312 2.517 20 0 GFADRO CN(CC[NH+](C)C)Cc1cc(Cl)cc(Cl)c1OCCN1CCOCC1 ZINC000628277082 565782025 /nfs/dbraw/zinc/78/20/25/565782025.db2.gz AYOKERBWJXHPCU-UHFFFAOYSA-N 1 0 390.355 2.698 20 0 GFADRO CN1CC[NH+](CC2CCN(C(=O)c3ccc(C(F)(F)F)s3)CC2)CC1 ZINC000671717214 565782910 /nfs/dbraw/zinc/78/29/10/565782910.db2.gz NKLPDGWXFVCOBK-UHFFFAOYSA-N 1 0 375.460 2.867 20 0 GFADRO CS[C@H]1CN(C(=O)c2c(F)cncc2Br)C[C@H]1[NH+]1CCCC1 ZINC000601437859 565783778 /nfs/dbraw/zinc/78/37/78/565783778.db2.gz WEHPIERGAULMCC-OLZOCXBDSA-N 1 0 388.306 2.635 20 0 GFADRO COC[C@@H]1CCN1Cc1cc(Cl)cc(Cl)c1OCCN1CCOCC1 ZINC000628294550 565783869 /nfs/dbraw/zinc/78/38/69/565783869.db2.gz XTOLXVWSQJCKDP-INIZCTEOSA-N 1 0 389.323 2.925 20 0 GFADRO Cc1ccc(S(=O)(=O)NCC[NH2+][C@H](C)c2ccc3[nH]c(=O)oc3c2)s1 ZINC000671753751 565785191 /nfs/dbraw/zinc/78/51/91/565785191.db2.gz LBKJDWSIRLYVBN-LLVKDONJSA-N 1 0 381.479 2.532 20 0 GFADRO CN(C(=O)c1cc(Br)cs1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000601478173 565785779 /nfs/dbraw/zinc/78/57/79/565785779.db2.gz XDUBERCEISEAOR-CQSZACIVSA-N 1 0 386.359 2.751 20 0 GFADRO C[N@H+](Cc1cc(Cl)cc(Cl)c1OCCN1CCOCC1)C1(CO)CC1 ZINC000628353509 565786311 /nfs/dbraw/zinc/78/63/11/565786311.db2.gz YKQDYUAUVQSRPW-UHFFFAOYSA-N 1 0 389.323 2.661 20 0 GFADRO COC(=O)c1cccc(NC(=O)N2CCCCC[C@H]([NH3+])C2)c1Br ZINC000601558421 565791603 /nfs/dbraw/zinc/79/16/03/565791603.db2.gz LCIZRSVACOHXHT-NSHDSACASA-N 1 0 384.274 2.971 20 0 GFADRO CN(CCC[N@H+](C)Cc1ccco1)C(=O)CCn1cc(Br)cn1 ZINC000671902554 565791677 /nfs/dbraw/zinc/79/16/77/565791677.db2.gz HUXNCCFZQMUNLN-UHFFFAOYSA-N 1 0 383.290 2.609 20 0 GFADRO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)Nc1cc(Cl)ccc1I ZINC000601568393 565792123 /nfs/dbraw/zinc/79/21/23/565792123.db2.gz ZAVGGWBOHLPNRG-VXNVDRBHSA-N 1 0 379.629 2.898 20 0 GFADRO CCSc1ccc(Cl)cc1NC(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000650028352 565793412 /nfs/dbraw/zinc/79/34/12/565793412.db2.gz BWYMQAYXIDUSHA-UHFFFAOYSA-N 1 0 384.933 2.690 20 0 GFADRO C[N@@H+]1CCCC[C@@H](CNC(=O)c2cc(Br)cc3c2OCCO3)C1 ZINC000628753606 565805692 /nfs/dbraw/zinc/80/56/92/565805692.db2.gz FGIAIMMSZUNQKN-LBPRGKRZSA-N 1 0 383.286 2.682 20 0 GFADRO C[NH+](C)C[C@H](NC(=O)c1cnc2n1CCOC2)c1ccc(Cl)c(Cl)c1 ZINC000628969159 565817448 /nfs/dbraw/zinc/81/74/48/565817448.db2.gz MVOJCFOTNGYOTF-AWEZNQCLSA-N 1 0 383.279 2.753 20 0 GFADRO C[C@H]1C[C@H](NC(=O)c2cnc3ncc(Br)cc3c2)C[N@@H+]1C1CC1 ZINC000672850097 565819500 /nfs/dbraw/zinc/81/95/00/565819500.db2.gz VQKKPZKFAXKQAV-HZMBPMFUSA-N 1 0 375.270 2.747 20 0 GFADRO CCN(CC[NH3+])[C@H](C)C(=O)Nc1ccc(Br)cc1Br ZINC000629555946 565859638 /nfs/dbraw/zinc/85/96/38/565859638.db2.gz QKXPEMRPLJOYID-SECBINFHSA-N 1 0 393.123 2.819 20 0 GFADRO CCCC[N@H+](C)CCNS(=O)(=O)c1cc(Br)ccc1OCC ZINC000602257243 565834457 /nfs/dbraw/zinc/83/44/57/565834457.db2.gz DOLSHGDZVANBDM-UHFFFAOYSA-N 1 0 393.347 2.858 20 0 GFADRO C[NH+](C)C[C@@H](CNC(=O)CNC(=O)c1cccs1)c1ccc(Cl)cc1 ZINC000673483791 565836123 /nfs/dbraw/zinc/83/61/23/565836123.db2.gz UXXJBNSPOQKFBS-CQSZACIVSA-N 1 0 379.913 2.593 20 0 GFADRO C[C@@]1(NC(=O)CCn2cc(Br)cn2)CC[N@H+](Cc2ccccc2)C1 ZINC000650862265 565837539 /nfs/dbraw/zinc/83/75/39/565837539.db2.gz UPHGSMBJOHFUNC-GOSISDBHSA-N 1 0 391.313 2.817 20 0 GFADRO C[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)C1([S@@](C)=O)CC[NH2+]CC1 ZINC000602447873 565848440 /nfs/dbraw/zinc/84/84/40/565848440.db2.gz BUKVDXPCYHWNJE-QVQLBTGDSA-N 1 0 377.337 2.541 20 0 GFADRO C[S@](=O)C1(C(=O)NCC2(c3cccc(Cl)c3)CCCC2)CC[NH2+]CC1 ZINC000602451438 565848895 /nfs/dbraw/zinc/84/88/95/565848895.db2.gz GSMPMLFWNIXETH-VWLOTQADSA-N 1 0 382.957 2.769 20 0 GFADRO Cc1ccc(-c2nc(NC(=O)C3([S@@](C)=O)CC[NH2+]CC3)sc2C)s1 ZINC000602450285 565848992 /nfs/dbraw/zinc/84/89/92/565848992.db2.gz KJHZQDWOBHIYNE-XMMPIXPASA-N 1 0 383.564 2.928 20 0 GFADRO CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)C1([S@@](C)=O)CC[NH2+]CC1 ZINC000602444595 565849084 /nfs/dbraw/zinc/84/90/84/565849084.db2.gz IYDAZOYGSXTZCM-HSZRJFAPSA-N 1 0 377.337 2.843 20 0 GFADRO CCOc1cc(C[NH2+]C[C@@H]2COCCN2)cc(Br)c1OC(F)F ZINC000629393076 565849295 /nfs/dbraw/zinc/84/92/95/565849295.db2.gz QYJIEHMSNYOKOA-LLVKDONJSA-N 1 0 395.244 2.527 20 0 GFADRO C[NH+](C)CCn1cc(NC(=O)NCCOc2cccc(Cl)c2Cl)cn1 ZINC000673867164 565850723 /nfs/dbraw/zinc/85/07/23/565850723.db2.gz JUYRJVMOYLHHOC-UHFFFAOYSA-N 1 0 386.283 2.952 20 0 GFADRO C[C@@H](Cc1cccc(Br)c1)NC(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000673869815 565851563 /nfs/dbraw/zinc/85/15/63/565851563.db2.gz VTNFNXWLGSNWQG-ZDUSSCGKSA-N 1 0 394.317 2.960 20 0 GFADRO CN(Cc1cc(Br)cs1)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000673871068 565851829 /nfs/dbraw/zinc/85/18/29/565851829.db2.gz HINIXNYLYNTSOZ-UHFFFAOYSA-N 1 0 386.319 2.933 20 0 GFADRO COC[C@@]1(C(=O)Nc2ccc(I)cc2F)CCCC[NH2+]1 ZINC000602525468 565852985 /nfs/dbraw/zinc/85/29/85/565852985.db2.gz HZMCXPINUJJZEB-CQSZACIVSA-N 1 0 392.212 2.528 20 0 GFADRO CC(C)Oc1cc(C(=O)N[C@H](C)CN2CC[NH+](C)CC2)ccc1Br ZINC000651278111 565853298 /nfs/dbraw/zinc/85/32/98/565853298.db2.gz MXKLLGWCLGSWHX-CQSZACIVSA-N 1 0 398.345 2.602 20 0 GFADRO COC(=O)C(C)(C)[C@H]1CCC[N@H+](Cc2cnn3cc(Br)cnc23)C1 ZINC000602595336 565856014 /nfs/dbraw/zinc/85/60/14/565856014.db2.gz HVHHNCCDYSDUIU-ZDUSSCGKSA-N 1 0 395.301 2.903 20 0 GFADRO Ic1ccc(C[NH2+][C@H]2CCO[C@]3(CCOC3)C2)s1 ZINC000602582166 565856633 /nfs/dbraw/zinc/85/66/33/565856633.db2.gz LXPQCOHDRWVISG-GXFFZTMASA-N 1 0 379.263 2.780 20 0 GFADRO [NH3+][C@H]1CC[C@H](NC(=O)CCC[S@](=O)c2ccc(Br)cc2)CC1 ZINC000602604019 565857307 /nfs/dbraw/zinc/85/73/07/565857307.db2.gz GQFXXOSGYAALNB-OKHZJLECSA-N 1 0 387.343 2.723 20 0 GFADRO O[C@H](C[NH2+]C[C@@H]1CCN1C1CCCC1)COc1cccc(Br)c1 ZINC000629603878 565862941 /nfs/dbraw/zinc/86/29/41/565862941.db2.gz QLGOZCABRBVYHS-DLBZAZTESA-N 1 0 383.330 2.795 20 0 GFADRO COC(=O)[C@@H]1OCC[C@@H]1[NH2+][C@@H]1CCN(C)[C@@H](c2ccc(Br)cc2)C1 ZINC000602709880 565865467 /nfs/dbraw/zinc/86/54/67/565865467.db2.gz JIVGNXKNXBRTRM-YYIAUSFCSA-N 1 0 397.313 2.505 20 0 GFADRO COC1CC[NH+](CCNC(=O)CCOc2cccc(Cl)c2Cl)CC1 ZINC000674311339 565867440 /nfs/dbraw/zinc/86/74/40/565867440.db2.gz BYAZBIDTYCHRCH-UHFFFAOYSA-N 1 0 375.296 2.989 20 0 GFADRO COC1CC[NH+](CCNC(=O)NCCCc2cccc(Br)c2)CC1 ZINC000674329107 565869198 /nfs/dbraw/zinc/86/91/98/565869198.db2.gz XVHJTVUXMBTXHX-UHFFFAOYSA-N 1 0 398.345 2.792 20 0 GFADRO COC(=O)C[C@@](C)([NH2+]C[C@H]1CCc2ncnn21)c1ccc(Br)cc1 ZINC000602825739 565869509 /nfs/dbraw/zinc/86/95/09/565869509.db2.gz DBYIZZJUSKRFKL-RHSMWYFYSA-N 1 0 393.285 2.596 20 0 GFADRO CC[C@H](C[NH+]1CCCC1)NS(=O)(=O)c1ccc(OC)c(Br)c1 ZINC000674346049 565870142 /nfs/dbraw/zinc/87/01/42/565870142.db2.gz HAYRGUDWICPEJZ-GFCCVEGCSA-N 1 0 391.331 2.610 20 0 GFADRO Cc1cc(S(=O)(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)sc1Br ZINC000674343290 565870627 /nfs/dbraw/zinc/87/06/27/565870627.db2.gz VESMMDROJHAPRO-LLVKDONJSA-N 1 0 379.345 2.582 20 0 GFADRO COC1CC[NH+](CCNS(=O)(=O)Cc2cc(Cl)sc2Cl)CC1 ZINC000651593143 565876066 /nfs/dbraw/zinc/87/60/66/565876066.db2.gz ASPIHGNYNHTBIX-UHFFFAOYSA-N 1 0 387.354 2.585 20 0 GFADRO CC(C)OCC[NH+]1CCC(NS(=O)(=O)c2ccc(Cl)c(F)c2)CC1 ZINC000651588779 565876776 /nfs/dbraw/zinc/87/67/76/565876776.db2.gz DCIWPQVJHSGQOI-UHFFFAOYSA-N 1 0 378.897 2.647 20 0 GFADRO Cc1cc(Br)sc1S(=O)(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000651607273 565878587 /nfs/dbraw/zinc/87/85/87/565878587.db2.gz JCIBIWVPFMGPTB-RYUDHWBXSA-N 1 0 393.372 2.924 20 0 GFADRO O=C(C[NH2+][C@@H]1CCCn2nccc21)Nc1cccc(I)c1 ZINC000603027721 565880972 /nfs/dbraw/zinc/88/09/72/565880972.db2.gz NFUSWAWFBODRSE-CYBMUJFWSA-N 1 0 396.232 2.551 20 0 GFADRO CC(C)(C[NH2+][C@H]1CCN(c2cccc(Br)c2)C1)N1CCOCC1 ZINC000674876615 565887246 /nfs/dbraw/zinc/88/72/46/565887246.db2.gz APFWVTKEDQZANK-INIZCTEOSA-N 1 0 382.346 2.728 20 0 GFADRO [NH3+]CCSCc1cn(Cc2ncc(-c3ccccc3Br)o2)nn1 ZINC000603229049 565891661 /nfs/dbraw/zinc/89/16/61/565891661.db2.gz VIOSQAGDNMBORD-UHFFFAOYSA-N 1 0 394.298 2.936 20 0 GFADRO CCOC(=O)c1nc(NC(C)(C)CN2CCOCC2)ccc1Br ZINC000603396726 565902692 /nfs/dbraw/zinc/90/26/92/565902692.db2.gz UJFGKJSJKLVGCY-UHFFFAOYSA-N 1 0 386.290 2.544 20 0 GFADRO CC(C)C[NH+]1CCC(NC(=O)c2ncc(I)s2)CC1 ZINC000603427542 565904979 /nfs/dbraw/zinc/90/49/79/565904979.db2.gz NBAHMKLJNFTBHF-UHFFFAOYSA-N 1 0 393.294 2.598 20 0 GFADRO C[N@@H+]1CCCC[C@@H]1C(=O)N1CCN(C(=O)c2cc3sccc3s2)CC1 ZINC000675519587 565908178 /nfs/dbraw/zinc/90/81/78/565908178.db2.gz KOUDBXFOIIHVCG-CYBMUJFWSA-N 1 0 377.535 2.732 20 0 GFADRO CN1CC[N@H+](C)C[C@H]1CNCc1csc(-c2cccc(Br)c2)n1 ZINC000603513856 565910352 /nfs/dbraw/zinc/91/03/52/565910352.db2.gz FRZPNOOOKLBZOO-MRXNPFEDSA-N 1 0 395.370 2.908 20 0 GFADRO C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CC[C@@]1(O)CCCOC1 ZINC000652045781 565913432 /nfs/dbraw/zinc/91/34/32/565913432.db2.gz FTFMYSGAEYSKHR-GUYCJALGSA-N 1 0 385.302 2.687 20 0 GFADRO Cn1nnnc1CC[NH2+][C@@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC000675790415 565915845 /nfs/dbraw/zinc/91/58/45/565915845.db2.gz WKBBDACPUSXBPA-CQSZACIVSA-N 1 0 375.274 2.664 20 0 GFADRO C[C@]1(c2cccc(Br)c2)C[C@H]1C(=O)NCCCC[NH+]1CCOCC1 ZINC000630751019 565918232 /nfs/dbraw/zinc/91/82/32/565918232.db2.gz KSTPIIGCRAJPMW-PKOBYXMFSA-N 1 0 395.341 2.955 20 0 GFADRO C[NH2+]Cc1ccccc1CNC(=O)NCCOc1ncc(Cl)cc1Cl ZINC000652169817 565918525 /nfs/dbraw/zinc/91/85/25/565918525.db2.gz QHBDNFHFPMFAJS-UHFFFAOYSA-N 1 0 383.279 2.986 20 0 GFADRO CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)NCCC1(C[NH3+])CC1 ZINC000652176053 565918955 /nfs/dbraw/zinc/91/89/55/565918955.db2.gz UECPXRWRESQBLA-WFASDCNBSA-N 1 0 384.318 2.953 20 0 GFADRO [NH3+]CC1(CCNC(=O)N[C@@H](CO)c2ccc(Cl)cc2C(F)(F)F)CC1 ZINC000652235395 565919604 /nfs/dbraw/zinc/91/96/04/565919604.db2.gz DHONEXFLBXRAFK-ZDUSSCGKSA-N 1 0 379.810 2.820 20 0 GFADRO [NH3+]CC1(CCNC(=O)N2CCO[C@@H](c3cccc(Br)c3)C2)CC1 ZINC000652242497 565919762 /nfs/dbraw/zinc/91/97/62/565919762.db2.gz XQUGGMYLLNSKMT-OAHLLOKOSA-N 1 0 382.302 2.661 20 0 GFADRO C[C@@H]([NH2+][C@H]1CCN(CCN2CCOCC2)C1)c1sccc1Br ZINC000675886612 565919784 /nfs/dbraw/zinc/91/97/84/565919784.db2.gz SQIUGHWRDYLMMS-KGLIPLIRSA-N 1 0 388.375 2.568 20 0 GFADRO Clc1ccc2c(c1Cl)CC[C@@H]2[NH2+][C@H]1CCN(CCN2CCOCC2)C1 ZINC000675886643 565920137 /nfs/dbraw/zinc/92/01/37/565920137.db2.gz KEFQTQPPTJKLRJ-KSSFIOAISA-N 1 0 384.351 2.977 20 0 GFADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)c1csc(CO)n1 ZINC000630847072 565922910 /nfs/dbraw/zinc/92/29/10/565922910.db2.gz KOQJKEXJYXSRLQ-UHFFFAOYSA-N 1 0 398.326 2.602 20 0 GFADRO C[C@@H]1CCCN(S(=O)(=O)c2cccc(Br)c2F)[C@@H]1CC[NH3+] ZINC000652378071 565926836 /nfs/dbraw/zinc/92/68/36/565926836.db2.gz XXHCMQNSEUIJJK-ZYHUDNBSSA-N 1 0 379.295 2.726 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2S(=O)(=O)c2cc(F)cc(Cl)c2)C1 ZINC000652384098 565927540 /nfs/dbraw/zinc/92/75/40/565927540.db2.gz PGHOPYSCPNYFGX-BMFZPTHFSA-N 1 0 376.881 2.529 20 0 GFADRO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCCN2S(=O)(=O)c2cc(Cl)ccc2F)C1 ZINC000652383414 565927616 /nfs/dbraw/zinc/92/76/16/565927616.db2.gz QRWKRFOKKIISFK-BPLDGKMQSA-N 1 0 376.881 2.529 20 0 GFADRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)NCc2nc3c(cccc3Br)[nH]2)C1 ZINC000652413619 565928430 /nfs/dbraw/zinc/92/84/30/565928430.db2.gz JCNUAGXOLZBKNF-LBPRGKRZSA-N 1 0 394.317 2.855 20 0 GFADRO Cc1ccc(NC(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)cc1Br ZINC000604612556 565933555 /nfs/dbraw/zinc/93/35/55/565933555.db2.gz BRAOKJMNWHWHMM-HOTGVXAUSA-N 1 0 382.302 2.820 20 0 GFADRO CCCSc1nsc(NC(=O)N2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)n1 ZINC000652583630 565934492 /nfs/dbraw/zinc/93/44/92/565934492.db2.gz KBAJPENKDFTGSF-YNEHKIRRSA-N 1 0 385.559 2.790 20 0 GFADRO C[N@H+](CCCNCc1ccc(Cl)c(S(N)(=O)=O)c1)Cc1ccccc1 ZINC000631035112 565935176 /nfs/dbraw/zinc/93/51/76/565935176.db2.gz AMTLXHQVFRDUFM-UHFFFAOYSA-N 1 0 381.929 2.599 20 0 GFADRO C[C@@H](Cc1cccc(Br)c1)[NH2+]Cc1cn(C[C@@H]2CCOC2)nn1 ZINC000631051909 565936257 /nfs/dbraw/zinc/93/62/57/565936257.db2.gz KCTNIGKNTUETSC-ZFWWWQNUSA-N 1 0 379.302 2.798 20 0 GFADRO Cc1cc(NC(=O)C(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)cc(C)c1Br ZINC000652630705 565936337 /nfs/dbraw/zinc/93/63/37/565936337.db2.gz NXTKNEPBPNOHHR-UGSOOPFHSA-N 1 0 394.313 2.592 20 0 GFADRO COc1cccc(O[C@@H](C)C[NH2+]Cc2ccc(Cl)c(S(N)(=O)=O)c2)c1 ZINC000631080588 565938891 /nfs/dbraw/zinc/93/88/91/565938891.db2.gz ZYJGACOREDSRBC-LBPRGKRZSA-N 1 0 384.885 2.553 20 0 GFADRO Cc1cc(S(=O)(=O)NC[C@@H](C)[N@H+](C)C2CC2)c(C)cc1Br ZINC000604887434 565939795 /nfs/dbraw/zinc/93/97/95/565939795.db2.gz HEKFGQTUQLEWTH-GFCCVEGCSA-N 1 0 375.332 2.827 20 0 GFADRO CNC(=O)[C@@H](C[NH2+]Cc1ccncc1Br)Cc1ccc(F)cc1C ZINC000631164921 565945969 /nfs/dbraw/zinc/94/59/69/565945969.db2.gz DUAYRMJCGQKCAY-OAHLLOKOSA-N 1 0 394.288 2.986 20 0 GFADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)c2cc(Cl)cc(Cl)c2F)CC1 ZINC000631185386 565947304 /nfs/dbraw/zinc/94/73/04/565947304.db2.gz YJJMBFZCLIMTFA-UHFFFAOYSA-N 1 0 390.286 2.805 20 0 GFADRO C[C@@H](COc1c(F)cccc1F)[NH2+]Cc1ccc(Cl)c(S(N)(=O)=O)c1 ZINC000631172695 565947370 /nfs/dbraw/zinc/94/73/70/565947370.db2.gz UPSNCGDZUGUVDE-JTQLQIEISA-N 1 0 390.839 2.823 20 0 GFADRO C[C@@H](CNC(=O)c1oc2ccccc2c1Br)N1CC[NH+](C)CC1 ZINC000631288788 565952429 /nfs/dbraw/zinc/95/24/29/565952429.db2.gz JWGUZNCGFGUELY-LBPRGKRZSA-N 1 0 380.286 2.561 20 0 GFADRO CCOc1c(Br)cc(Cl)cc1NC(=O)[C@@H](N)CC[NH+](C)C ZINC000653063503 565953231 /nfs/dbraw/zinc/95/32/31/565953231.db2.gz JWBFDMBQPJNOKX-NSHDSACASA-N 1 0 378.698 2.719 20 0 GFADRO O=C(NC[C@H]1CCN(c2cccc(Br)c2)C1)[C@H]1CCC[NH2+]CC1 ZINC000653113118 565955460 /nfs/dbraw/zinc/95/54/60/565955460.db2.gz TWUAOJSNLBCNPB-CABCVRRESA-N 1 0 380.330 2.781 20 0 GFADRO O=C(NCc1noc(-c2cccc(Br)c2)n1)[C@H]1CCC[NH2+]CC1 ZINC000653160745 565956370 /nfs/dbraw/zinc/95/63/70/565956370.db2.gz UVKVXCAOORREJV-NSHDSACASA-N 1 0 379.258 2.505 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(C(=O)Cc3ccc(Br)cc3)C2)C1 ZINC000653190745 565958389 /nfs/dbraw/zinc/95/83/89/565958389.db2.gz NWDYCJHBKFUZDI-OIISXLGYSA-N 1 0 381.314 2.737 20 0 GFADRO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCN(C(=O)Cc3cccc(Br)c3)C2)C1 ZINC000653188618 565958517 /nfs/dbraw/zinc/95/85/17/565958517.db2.gz MSVSXIMOXNAEMK-USXIJHARSA-N 1 0 381.314 2.737 20 0 GFADRO O=C(c1cc(Br)c2nccn2c1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000631448182 565958879 /nfs/dbraw/zinc/95/88/79/565958879.db2.gz HQZYKNXGTSKVMJ-ZDUSSCGKSA-N 1 0 377.286 2.655 20 0 GFADRO C[C@@H]1CCCN(C(=O)c2c3ccc(Br)cc3nn2C)[C@H]1CC[NH3+] ZINC000653243780 565959429 /nfs/dbraw/zinc/95/94/29/565959429.db2.gz MYLZLMBMXZUVNQ-ABAIWWIYSA-N 1 0 379.302 2.925 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)NCCC1(C[NH3+])CC1 ZINC000653219494 565959446 /nfs/dbraw/zinc/95/94/46/565959446.db2.gz GCFODOOLLGFYGO-CQSZACIVSA-N 1 0 384.567 2.596 20 0 GFADRO [NH3+]CCc1nc(C(=O)N2CCN(c3cc(Cl)ccc3Cl)CC2)cs1 ZINC000653198664 565959596 /nfs/dbraw/zinc/95/95/96/565959596.db2.gz HHVWEEMELDEHQZ-UHFFFAOYSA-N 1 0 385.320 2.914 20 0 GFADRO C[NH+](C)C1(CNC(=O)c2c(F)cncc2Br)Cc2ccccc2C1 ZINC000631473724 565959785 /nfs/dbraw/zinc/95/97/85/565959785.db2.gz RMALMGMXTXAAIY-UHFFFAOYSA-N 1 0 392.272 2.812 20 0 GFADRO CCO[C@@H]1CN(C(=O)CCC(=O)c2cc(Cl)sc2Cl)C[C@H]1C[NH3+] ZINC000653246961 565960389 /nfs/dbraw/zinc/96/03/89/565960389.db2.gz GLHMKMKIRRHXOX-BXKDBHETSA-N 1 0 379.309 2.840 20 0 GFADRO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCCN2C(=O)COc2ccc(Br)cc2)C1 ZINC000653267461 565960529 /nfs/dbraw/zinc/96/05/29/565960529.db2.gz PYNQKTQBNVNIRY-HYVNUMGLSA-N 1 0 397.313 2.715 20 0 GFADRO C[N@@H+]1CCCN(CCCNC(=O)c2ccc(Cl)c(Br)c2)CC1 ZINC000677088156 565960774 /nfs/dbraw/zinc/96/07/74/565960774.db2.gz JMEWHCIGUUSLLQ-UHFFFAOYSA-N 1 0 388.737 2.860 20 0 GFADRO CC(=O)N[C@@H](CC(=O)NCCC1CC[NH2+]CC1)c1ccc(Br)cc1 ZINC000653268854 565961616 /nfs/dbraw/zinc/96/16/16/565961616.db2.gz CLABFHJDKYIWJP-KRWDZBQOSA-N 1 0 396.329 2.522 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)c1cc(=O)[nH]c2ccc(Br)cc21 ZINC000606357508 565962643 /nfs/dbraw/zinc/96/26/43/565962643.db2.gz MEHCZVCOBSLDFA-LLVKDONJSA-N 1 0 376.254 2.669 20 0 GFADRO CC[N@@H+]1CCN([C@@H](C)C(=O)N(C)Cc2ccc(Br)cc2)C[C@@H]1C ZINC000677194805 565964295 /nfs/dbraw/zinc/96/42/95/565964295.db2.gz KEUIDNZRCASZIL-GJZGRUSLSA-N 1 0 382.346 2.822 20 0 GFADRO COC1CC[NH+](CCNC(=O)[C@H]2[C@@H]3c4ccc(Br)cc4C[C@H]23)CC1 ZINC000631673745 565965847 /nfs/dbraw/zinc/96/58/47/565965847.db2.gz USIOJUWESMIUGJ-RCCFBDPRSA-N 1 0 393.325 2.562 20 0 GFADRO Cc1ccc(C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)c(Br)c1 ZINC000677247685 565967221 /nfs/dbraw/zinc/96/72/21/565967221.db2.gz IMIIWTGEBUVEMB-HNNXBMFYSA-N 1 0 380.330 2.610 20 0 GFADRO CC(C)[C@@H](CNC(=O)NCc1n[nH]cc1Br)[NH+]1CCCCCC1 ZINC000606633673 565968468 /nfs/dbraw/zinc/96/84/68/565968468.db2.gz NDCKFQMYAFIBGN-OAHLLOKOSA-N 1 0 386.338 2.872 20 0 GFADRO CC(C)[C@H]([NH2+][C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)[C@H](O)C(F)(F)F ZINC000631715648 565970087 /nfs/dbraw/zinc/97/00/87/565970087.db2.gz XVGVWBCPDBYZNR-UGFHNGPFSA-N 1 0 382.448 2.535 20 0 GFADRO CC(C)(CNS(=O)(=O)Cc1ncsc1Br)[NH+]1CCCCC1 ZINC000631730621 565971284 /nfs/dbraw/zinc/97/12/84/565971284.db2.gz ZFUFCVSBTYZVHM-UHFFFAOYSA-N 1 0 396.376 2.590 20 0 GFADRO COCC[N@H+](C)C[C@@H](O)CN1CCC[C@@H]1c1cc(F)cc(Br)c1 ZINC000653618746 565973987 /nfs/dbraw/zinc/97/39/87/565973987.db2.gz WLCMYHRLEYPPGQ-IAGOWNOFSA-N 1 0 389.309 2.664 20 0 GFADRO CCCC[NH+]1CCC(NS(=O)(=O)Cc2ncsc2Br)CC1 ZINC000631807602 565975935 /nfs/dbraw/zinc/97/59/35/565975935.db2.gz UTCVWIWCROZRRB-UHFFFAOYSA-N 1 0 396.376 2.590 20 0 GFADRO C[NH+](C)CCN(CC(=O)Nc1ccc(Br)cc1)Cc1ccccn1 ZINC000653729998 565980393 /nfs/dbraw/zinc/98/03/93/565980393.db2.gz CXJMVUFHQNFILZ-UHFFFAOYSA-N 1 0 391.313 2.846 20 0 GFADRO COCC1(N(C)Cc2nnnn2-c2ccc(Cl)cc2C(F)(F)F)CC1 ZINC000677728238 565981565 /nfs/dbraw/zinc/98/15/65/565981565.db2.gz DABKEFFEQBGZEK-UHFFFAOYSA-N 1 0 375.782 2.945 20 0 GFADRO CCC(C)(C)[NH+]1CCN(Cc2nnnn2-c2ccccc2Br)CC1 ZINC000653808797 565983975 /nfs/dbraw/zinc/98/39/75/565983975.db2.gz AUABXQDBMNSYSY-UHFFFAOYSA-N 1 0 393.333 2.731 20 0 GFADRO O=C(CCc1ccc(Br)cc1F)NCCN1C[C@H]2CC[C@@H](C1)O2 ZINC000653866953 565986205 /nfs/dbraw/zinc/98/62/05/565986205.db2.gz CUTVNOHCCHHAFT-GASCZTMLSA-N 1 0 385.277 2.500 20 0 GFADRO CC[C@H]1CCCC[N@@H+]1CCNS(=O)(=O)Cc1ncsc1Br ZINC000631962504 565986912 /nfs/dbraw/zinc/98/69/12/565986912.db2.gz LKOMJWTVPQESFN-NSHDSACASA-N 1 0 396.376 2.590 20 0 GFADRO COc1ccc(S(=O)(=O)N2CCC[C@H]3C[NH2+]CC[C@H]32)c(Cl)c1Cl ZINC000631994673 565989464 /nfs/dbraw/zinc/98/94/64/565989464.db2.gz PMLNMOHSSJBBFC-WDEREUQCSA-N 1 0 379.309 2.765 20 0 GFADRO [NH3+]C[C@H]1Cc2ccccc2N(S(=O)(=O)Cc2ccc(Br)cc2)C1 ZINC000631998277 565989593 /nfs/dbraw/zinc/98/95/93/565989593.db2.gz WOBLHBLLLGKLKZ-CQSZACIVSA-N 1 0 395.322 2.917 20 0 GFADRO O=C(COc1ccc(Br)cn1)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000632012621 565990759 /nfs/dbraw/zinc/99/07/59/565990759.db2.gz VCMSFFZUZMJMLW-CJNGLKHVSA-N 1 0 394.313 2.698 20 0 GFADRO C[C@H](Cc1ccc(Br)cc1)C(=O)NCCCN1CCC[N@H+](C)CC1 ZINC000677966204 565990966 /nfs/dbraw/zinc/99/09/66/565990966.db2.gz JBTAPLQSQKTWSZ-MRXNPFEDSA-N 1 0 396.373 2.772 20 0 GFADRO C[C@H](C(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)c1ccc(Br)cc1 ZINC000678023176 565995080 /nfs/dbraw/zinc/99/50/80/565995080.db2.gz OVICZYRGMGXOEM-XKQJLSEDSA-N 1 0 381.314 2.610 20 0 GFADRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)c2ncc(Br)cc2Br)C1 ZINC000654065169 565995305 /nfs/dbraw/zinc/99/53/05/565995305.db2.gz GYQPLFBBLCCKBT-WAAGHKOSSA-N 1 0 391.107 2.677 20 0 GFADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)N[C@H](CO)c1ccc(Br)cc1 ZINC000678113495 565999732 /nfs/dbraw/zinc/99/97/32/565999732.db2.gz DOVMNIFVMYTNHL-JKSUJKDBSA-N 1 0 384.318 2.656 20 0 GFADRO CC[C@H](C[NH+]1CCCC1)NC(=O)N[C@@H](CO)c1ccc(Br)cc1 ZINC000678113491 566000052 /nfs/dbraw/zinc/00/00/52/566000052.db2.gz DOVMNIFVMYTNHL-CVEARBPZSA-N 1 0 384.318 2.656 20 0 GFADRO Brc1ccc2ncc(CN3CCC[N@H+](C[C@H]4CCCO4)CC3)n2c1 ZINC000678135698 566001518 /nfs/dbraw/zinc/00/15/18/566001518.db2.gz PXUYBVMHTYIBIA-QGZVFWFLSA-N 1 0 393.329 2.784 20 0 GFADRO C[NH+]1CCC([C@@H]2CCN(S(=O)(=O)c3cscc3Br)C2)CC1 ZINC000632144766 566003942 /nfs/dbraw/zinc/00/39/42/566003942.db2.gz LNERCGFPIOTKQH-GFCCVEGCSA-N 1 0 393.372 2.863 20 0 GFADRO C[NH+](C)CCCC1CCN(S(=O)(=O)c2ccc3[nH]c(=O)sc3c2)CC1 ZINC000632164989 566005326 /nfs/dbraw/zinc/00/53/26/566005326.db2.gz STRCWUGOHNTZSX-UHFFFAOYSA-N 1 0 383.539 2.744 20 0 GFADRO CS(=O)(=O)Nc1cccc(C[NH2+]CCc2nc(C(F)(F)F)cs2)c1 ZINC000608142222 566006080 /nfs/dbraw/zinc/00/60/80/566006080.db2.gz WWUJXAHGPDEPIC-UHFFFAOYSA-N 1 0 379.429 2.866 20 0 GFADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc(=O)c3cc(Br)ccc3[nH]2)C1 ZINC000608240882 566008423 /nfs/dbraw/zinc/00/84/23/566008423.db2.gz MCYABUFTLSABHT-LBPRGKRZSA-N 1 0 392.297 2.704 20 0 GFADRO C[N@@H+]1CCC[C@H](CNC(=O)N2CCOc3cccc(Br)c3C2)C1 ZINC000654435648 566009903 /nfs/dbraw/zinc/00/99/03/566009903.db2.gz ZGNYOOLRJDBHIG-CYBMUJFWSA-N 1 0 382.302 2.695 20 0 GFADRO CN(CCC[NH2+][C@@H]1CCCc2ccc(Br)cc21)S(C)(=O)=O ZINC000678411461 566011283 /nfs/dbraw/zinc/01/12/83/566011283.db2.gz LOXMJYGWGZKGMI-OAHLLOKOSA-N 1 0 375.332 2.698 20 0 GFADRO C[C@H]([NH2+]CCCN1CCCS1(=O)=O)c1ccc(OCC(F)(F)F)cc1 ZINC000678581896 566013672 /nfs/dbraw/zinc/01/36/72/566013672.db2.gz DJYBFNJUOOKEDG-ZDUSSCGKSA-N 1 0 380.432 2.704 20 0 GFADRO COc1ccc([C@@H](C)[NH2+]CCCN2CCCS2(=O)=O)cc1Br ZINC000678580642 566013689 /nfs/dbraw/zinc/01/36/89/566013689.db2.gz LEPAOBDCJLZSHX-GFCCVEGCSA-N 1 0 391.331 2.534 20 0 GFADRO Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+]CCCN1CCCS1(=O)=O ZINC000678582192 566013880 /nfs/dbraw/zinc/01/38/80/566013880.db2.gz GRFAGXUVVWRTPQ-ZDUSSCGKSA-N 1 0 380.539 2.590 20 0 GFADRO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CC(=O)NC1CCCC1 ZINC000678585285 566013882 /nfs/dbraw/zinc/01/38/82/566013882.db2.gz UFCFBMWPHWXRGP-GFCCVEGCSA-N 1 0 382.302 2.815 20 0 GFADRO C[C@H]([NH2+][C@@H](CO)c1cccc(Br)c1)c1cccc(-n2cnnn2)c1 ZINC000678598356 566013939 /nfs/dbraw/zinc/01/39/39/566013939.db2.gz GFDOMRQQCVNILA-SJCJKPOMSA-N 1 0 388.269 2.809 20 0 GFADRO CCN(CCNS(=O)(=O)c1cnn(C2CCCC2)c1)CCC(F)(F)F ZINC000632274092 566015407 /nfs/dbraw/zinc/01/54/07/566015407.db2.gz BSYBBVBAZWPELM-UHFFFAOYSA-N 1 0 382.452 2.551 20 0 GFADRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)N2CCOc3ccc(Br)cc3C2)C1 ZINC000654665678 566018396 /nfs/dbraw/zinc/01/83/96/566018396.db2.gz QUHCDKKHOCOIKQ-JNSHFYNHSA-N 1 0 382.302 2.693 20 0 GFADRO CSc1cc(Br)ccc1C(=O)N[C@@H](C)CN1CC[NH+](C)CC1 ZINC000654756693 566020477 /nfs/dbraw/zinc/02/04/77/566020477.db2.gz FTVICXUDZPCWSH-LBPRGKRZSA-N 1 0 386.359 2.537 20 0 GFADRO CO[C@@H](C(=O)N1CCC(OCC[NH+](C)C)CC1)c1ccccc1Br ZINC000654777805 566022242 /nfs/dbraw/zinc/02/22/42/566022242.db2.gz CRSUUMDVIIONSU-QGZVFWFLSA-N 1 0 399.329 2.706 20 0 GFADRO CC[N@@H+]1CCN(C(=O)Nc2ccc(S(C)(=O)=O)c(C(F)F)c2)C[C@@H]1C ZINC000678907076 566024335 /nfs/dbraw/zinc/02/43/35/566024335.db2.gz FLPHVFDSUCGMIU-NSHDSACASA-N 1 0 375.441 2.586 20 0 GFADRO O=C1[C@@H]([NH2+]Cc2ccc(Cl)c(Br)c2)CCN1C1CCOCC1 ZINC000678956771 566025703 /nfs/dbraw/zinc/02/57/03/566025703.db2.gz BLZFFTUORUMPDT-HNNXBMFYSA-N 1 0 387.705 2.972 20 0 GFADRO O=C(Nc1cc(F)ccc1Br)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000654947703 566031545 /nfs/dbraw/zinc/03/15/45/566031545.db2.gz UMZJUZZNKINISX-ZFWWWQNUSA-N 1 0 398.276 2.660 20 0 GFADRO Cc1ccc(Br)c(NC(=O)C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)c1 ZINC000654948662 566031962 /nfs/dbraw/zinc/03/19/62/566031962.db2.gz FHJTZNGOHZOJAI-GOEBONIOSA-N 1 0 394.313 2.829 20 0 GFADRO Cc1cc(Br)c(C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)s1 ZINC000654969029 566032798 /nfs/dbraw/zinc/03/27/98/566032798.db2.gz GRIQEOHAYFZREI-GFCCVEGCSA-N 1 0 386.359 2.717 20 0 GFADRO COC1CC[NH+](CCNC(=O)c2cccc(Br)c2Cl)CC1 ZINC000679568108 566046823 /nfs/dbraw/zinc/04/68/23/566046823.db2.gz KOWUUBHISIBGLC-UHFFFAOYSA-N 1 0 375.694 2.943 20 0 GFADRO C[C@H](CNC(=O)c1cc(I)c[nH]1)[N@@H+]1CCCC[C@@H]1C ZINC000609659765 566049585 /nfs/dbraw/zinc/04/95/85/566049585.db2.gz VPHBIMDWCJBKLS-WDEREUQCSA-N 1 0 375.254 2.612 20 0 GFADRO Cc1nc(CS(=O)(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)cs1 ZINC000632616673 566051412 /nfs/dbraw/zinc/05/14/12/566051412.db2.gz HIBQBTGDTQPENH-WMLDXEAASA-N 1 0 379.551 2.639 20 0 GFADRO C[N@@H+](Cc1ccccc1)C[C@@H](O)CN[C@@H](CO)c1ccc(Br)cc1 ZINC000679832844 566055370 /nfs/dbraw/zinc/05/53/70/566055370.db2.gz TXTBYQQIPYWCSJ-OALUTQOASA-N 1 0 393.325 2.565 20 0 GFADRO CO[C@H](C(=O)Nc1cnc2c(c1)C[NH2+]CC2)c1ccccc1Br ZINC000655451365 566057677 /nfs/dbraw/zinc/05/76/77/566057677.db2.gz HVWGJSUSAGEAPR-INIZCTEOSA-N 1 0 376.254 2.816 20 0 GFADRO COc1cc(Br)ccc1CCCNC(=O)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000655471630 566058363 /nfs/dbraw/zinc/05/83/63/566058363.db2.gz KXSHQQBJHRELLV-YJBOKZPZSA-N 1 0 381.314 2.896 20 0 GFADRO CN(CCC[NH2+][C@@H]1CCCc2c(Br)cccc21)S(C)(=O)=O ZINC000679988578 566058915 /nfs/dbraw/zinc/05/89/15/566058915.db2.gz JKEUKXAJPFKNKK-OAHLLOKOSA-N 1 0 375.332 2.698 20 0 GFADRO CN(CCC[NH2+][C@H]1CCCc2c(Br)cccc21)S(C)(=O)=O ZINC000679988577 566059017 /nfs/dbraw/zinc/05/90/17/566059017.db2.gz JKEUKXAJPFKNKK-HNNXBMFYSA-N 1 0 375.332 2.698 20 0 GFADRO O=C(NCCCc1cccc(Br)c1)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000655505862 566061104 /nfs/dbraw/zinc/06/11/04/566061104.db2.gz VFNNITXATOJLID-QGZVFWFLSA-N 1 0 398.345 2.528 20 0 GFADRO Cc1c(Br)cccc1CS(=O)(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000655503393 566061696 /nfs/dbraw/zinc/06/16/96/566061696.db2.gz RPKUDEBFALMCEO-CYBMUJFWSA-N 1 0 375.332 2.519 20 0 GFADRO COCC[C@@H](Cc1cccc(Br)c1)C(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000655513017 566062783 /nfs/dbraw/zinc/06/27/83/566062783.db2.gz NVFZDPZVAUWTBT-AAEUAGOBSA-N 1 0 397.235 2.650 20 0 GFADRO Cc1csc(-c2ccc(S(=O)(=O)N[C@@H]3C[N@H+](C4CC4)C[C@H]3C)cc2)n1 ZINC000655537791 566064756 /nfs/dbraw/zinc/06/47/56/566064756.db2.gz XQGBCHGQDCWQHF-SJKOYZFVSA-N 1 0 377.535 2.880 20 0 GFADRO C[C@H]1C[C@@H](NC(=O)c2cc(F)ccc2I)CC[N@@H+]1C ZINC000610209599 566071470 /nfs/dbraw/zinc/07/14/70/566071470.db2.gz UCAPOGCAUJVILH-ONGXEEELSA-N 1 0 376.213 2.643 20 0 GFADRO C[C@H]1C[C@H]([NH3+])CN1C(=O)Nc1ccnn1Cc1cccc(Br)c1 ZINC000632937304 566074991 /nfs/dbraw/zinc/07/49/91/566074991.db2.gz YOUNYMWAVSMZFE-FZMZJTMJSA-N 1 0 378.274 2.647 20 0 GFADRO C[C@H]1C[C@@H]([NH3+])CN1C(=O)Nc1ccnn1Cc1ccccc1Br ZINC000632936229 566075106 /nfs/dbraw/zinc/07/51/06/566075106.db2.gz ISXMKAJNDZKCCC-WCQYABFASA-N 1 0 378.274 2.647 20 0 GFADRO C[C@@H]1CN(C(=O)Nc2ccnn2Cc2ccccc2Br)C[C@H]1C[NH3+] ZINC000632935582 566075320 /nfs/dbraw/zinc/07/53/20/566075320.db2.gz FERBFDANRCIXQR-TZMCWYRMSA-N 1 0 392.301 2.752 20 0 GFADRO COc1cc(OC)c(S(=O)(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)cc1Cl ZINC000655668912 566080059 /nfs/dbraw/zinc/08/00/59/566080059.db2.gz VJBDWEMWXNQNSA-UONOGXRCSA-N 1 0 388.917 2.652 20 0 GFADRO C[N@@H+]1CCC[C@H](N2CCN(Cc3ccc(I)cc3)CC2)C1 ZINC000610391239 566080033 /nfs/dbraw/zinc/08/00/33/566080033.db2.gz LTWOOCJXBYHWCW-KRWDZBQOSA-N 1 0 399.320 2.503 20 0 GFADRO [NH3+]C[C@H]1CC[C@H](NC(=O)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000633036558 566080640 /nfs/dbraw/zinc/08/06/40/566080640.db2.gz OHLQCPSAODRZFZ-MGCOHNPYSA-N 1 0 377.794 2.931 20 0 GFADRO C[C@@H](NC(=O)c1cnn(CC[NH+](C)C)c1)c1ccc(Br)cc1F ZINC000633058485 566081399 /nfs/dbraw/zinc/08/13/99/566081399.db2.gz LONLSMUCSNARAW-LLVKDONJSA-N 1 0 383.265 2.837 20 0 GFADRO Cc1cc(NC(=O)C(=O)N[C@@H]2CC[NH2+]CC(C)(C)C2)ccc1Br ZINC000633047870 566082095 /nfs/dbraw/zinc/08/20/95/566082095.db2.gz ZDHTVXXCWNLZNY-CYBMUJFWSA-N 1 0 382.302 2.590 20 0 GFADRO O=C(NCCC[NH2+][C@@H]1CCCn2ccnc21)c1cccc(Br)c1 ZINC000655704345 566083092 /nfs/dbraw/zinc/08/30/92/566083092.db2.gz BCRHXYAXWDUJDB-OAHLLOKOSA-N 1 0 377.286 2.890 20 0 GFADRO Cc1nn(-c2cccc(Br)c2)cc1C[NH2+]CCN1CCOC[C@@H]1C ZINC000655730994 566083941 /nfs/dbraw/zinc/08/39/41/566083941.db2.gz UCVKVIIJFNJQNQ-AWEZNQCLSA-N 1 0 393.329 2.754 20 0 GFADRO CCN(CCC[NH2+]Cc1cn(-c2ccccc2Cl)nc1C)S(C)(=O)=O ZINC000655725940 566084018 /nfs/dbraw/zinc/08/40/18/566084018.db2.gz NXZWQMWVLPBJDP-UHFFFAOYSA-N 1 0 384.933 2.595 20 0 GFADRO CCN(CCC[NH2+]Cc1oc2ccccc2c1Br)S(C)(=O)=O ZINC000655723986 566084762 /nfs/dbraw/zinc/08/47/62/566084762.db2.gz KGKPGMOQBLAADM-UHFFFAOYSA-N 1 0 389.315 2.957 20 0 GFADRO COc1ccc(C[C@@H](CO)C[NH2+][C@H]2CCCn3ccnc32)cc1Br ZINC000655774005 566089088 /nfs/dbraw/zinc/08/90/88/566089088.db2.gz NIKSCZKDHWJHCH-ZBFHGGJFSA-N 1 0 394.313 2.930 20 0 GFADRO C[C@H](c1ccccc1)[C@@H](CO)[NH2+][C@H](C(N)=O)c1ccc(Br)cc1 ZINC000680993949 566090415 /nfs/dbraw/zinc/09/04/15/566090415.db2.gz RNHGWSTWPARMKX-JLZZUVOBSA-N 1 0 377.282 2.730 20 0 GFADRO CCOc1cc(C[NH2+][C@@H]2CCc3c(nnn3C)C2)cc(Br)c1OC ZINC000655841983 566093173 /nfs/dbraw/zinc/09/31/73/566093173.db2.gz LQZRJQLZKYDUSK-GFCCVEGCSA-N 1 0 395.301 2.632 20 0 GFADRO [NH3+]C[C@H](NC(=O)NCCc1cc(Cl)ccc1Br)C(F)(F)F ZINC000655920308 566094745 /nfs/dbraw/zinc/09/47/45/566094745.db2.gz IGDMPKGIHASITB-JTQLQIEISA-N 1 0 388.615 2.834 20 0 GFADRO [NH3+]C[C@H](NC(=O)N[C@H]1C[C@H](c2ccc(Br)cc2)C1)C(F)(F)F ZINC000655925403 566096321 /nfs/dbraw/zinc/09/63/21/566096321.db2.gz ANKBVDBINOTJJY-DLOVCJGASA-N 1 0 380.208 2.884 20 0 GFADRO [NH3+]C[C@@H](NC(=O)N1CCN(c2cc(Cl)ccc2Cl)CC1)C(F)(F)F ZINC000655931629 566096616 /nfs/dbraw/zinc/09/66/16/566096616.db2.gz MMOBGHMHVRMYLN-GFCCVEGCSA-N 1 0 385.217 2.715 20 0 GFADRO C[C@@H](Cc1ccc(F)c(Br)c1)NC(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000655923077 566096769 /nfs/dbraw/zinc/09/67/69/566096769.db2.gz ZUSRHPZRUUNGJH-CPCISQLKSA-N 1 0 386.187 2.708 20 0 GFADRO [NH3+]C[C@H](NC(=O)N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1)C(F)(F)F ZINC000655923041 566096941 /nfs/dbraw/zinc/09/69/41/566096941.db2.gz ZFYVWKHCVZBUDJ-YUMQZZPRSA-N 1 0 390.353 2.941 20 0 GFADRO [NH3+]C[C@@H](NC(=O)N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1)C(F)(F)F ZINC000655925888 566097185 /nfs/dbraw/zinc/09/71/85/566097185.db2.gz ABGXWAQUGWHFAE-WHGOUJPWSA-N 1 0 384.171 2.633 20 0 GFADRO Cc1c(Br)cccc1CS(=O)(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000655950041 566098147 /nfs/dbraw/zinc/09/81/47/566098147.db2.gz IKAIVXBVPJGIPJ-YIONKMFJSA-N 1 0 387.343 2.802 20 0 GFADRO [NH3+]C[C@H](NC(=O)C(=O)Nc1ccc(SC2CCCC2)cc1)C(F)(F)F ZINC000655958731 566098624 /nfs/dbraw/zinc/09/86/24/566098624.db2.gz OECPQBPITFAALM-ZDUSSCGKSA-N 1 0 375.416 2.666 20 0 GFADRO Cc1c(Br)cccc1CS(=O)(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000655951861 566099168 /nfs/dbraw/zinc/09/91/68/566099168.db2.gz FQUIDFRAQXLWLB-MRXNPFEDSA-N 1 0 387.343 2.663 20 0 GFADRO Cc1cc(Br)sc1S(=O)(=O)N1CC2CCC1(C[NH3+])CC2 ZINC000655954675 566099185 /nfs/dbraw/zinc/09/91/85/566099185.db2.gz HSUSYTKPFIJHAD-UHFFFAOYSA-N 1 0 379.345 2.711 20 0 GFADRO O=C(N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)N1CCOc2cccc(Br)c2C1 ZINC000655969499 566099888 /nfs/dbraw/zinc/09/98/88/566099888.db2.gz JDBXEPNHKTXKTR-MGPQQGTHSA-N 1 0 394.313 2.741 20 0 GFADRO CCCN(C(=O)C(=O)NCCCc1c(Cl)cccc1Cl)[C@@H]1CC[NH2+]C1 ZINC000656029584 566101583 /nfs/dbraw/zinc/10/15/83/566101583.db2.gz AFOTUTLIKHYIOT-CYBMUJFWSA-N 1 0 386.323 2.643 20 0 GFADRO C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000656063771 566103337 /nfs/dbraw/zinc/10/33/37/566103337.db2.gz GIGPYIFYKWYLSO-BZPMIXESSA-N 1 0 386.323 2.969 20 0 GFADRO COCC1(C[NH2+]C[C@H](O)COc2ccc(Cl)cc2Br)CC1 ZINC000656154888 566106726 /nfs/dbraw/zinc/10/67/26/566106726.db2.gz AVWYFACZUMIZIS-LBPRGKRZSA-N 1 0 378.694 2.858 20 0 GFADRO C[C@@H](C[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Cl)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656153057 566107047 /nfs/dbraw/zinc/10/70/47/566107047.db2.gz MWZFOSXTERHTGA-TTZDDIAXSA-N 1 0 391.339 2.820 20 0 GFADRO O=C(N[C@@H]1CCc2c1ccc(F)c2Br)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000633649892 566112107 /nfs/dbraw/zinc/11/21/07/566112107.db2.gz MPKSQLNNLLUTHQ-VCTAVGKDSA-N 1 0 382.277 2.969 20 0 GFADRO NS(=O)(=O)c1ccc(N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)c(C(F)(F)F)c1 ZINC000656228071 566114255 /nfs/dbraw/zinc/11/42/55/566114255.db2.gz VEIUMSQWXOOLDR-CABCVRRESA-N 1 0 377.432 2.782 20 0 GFADRO COc1nc(C)c(Br)cc1C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000681595456 566117951 /nfs/dbraw/zinc/11/79/51/566117951.db2.gz IPIKTAXMZMBHIA-UHFFFAOYSA-N 1 0 388.225 2.994 20 0 GFADRO Cc1nn(-c2cccc(Br)c2)cc1C[N@H+](CCO)C1CCOCC1 ZINC000656258546 566118693 /nfs/dbraw/zinc/11/86/93/566118693.db2.gz VSAWUTZOVUIUBE-UHFFFAOYSA-N 1 0 394.313 2.917 20 0 GFADRO Cc1nn(-c2ccccc2Br)cc1C[N@@H+](CCO)[C@H]1CCO[C@H]1C ZINC000656262925 566120256 /nfs/dbraw/zinc/12/02/56/566120256.db2.gz VKEMQYHXBWDODU-YOEHRIQHSA-N 1 0 394.313 2.915 20 0 GFADRO C[N@@H+]1CC[C@H]2CCN(C(=O)NCc3nc4c(cccc4Br)[nH]3)[C@H]2C1 ZINC000656275825 566122464 /nfs/dbraw/zinc/12/24/64/566122464.db2.gz WBLFEBMXGCIMPO-FZMZJTMJSA-N 1 0 392.301 2.561 20 0 GFADRO C[NH+](C)C1(CNC(=O)C(=O)NCCCc2c(Cl)cccc2Cl)CCC1 ZINC000656328753 566124346 /nfs/dbraw/zinc/12/43/46/566124346.db2.gz HPQXVSIYSYEVOD-UHFFFAOYSA-N 1 0 386.323 2.643 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1cnc2ncc(Br)cc2c1 ZINC000681960205 566135085 /nfs/dbraw/zinc/13/50/85/566135085.db2.gz BPUUKGLEOTXNNT-GFCCVEGCSA-N 1 0 377.286 2.997 20 0 GFADRO C[C@H](C[NH+]1CCCCC1)NC(=O)c1cnc2ncc(Br)cc2c1 ZINC000681958844 566135434 /nfs/dbraw/zinc/13/54/34/566135434.db2.gz NKCYZZHDKIOFHF-GFCCVEGCSA-N 1 0 377.286 2.997 20 0 GFADRO O=C(C1CC1)N1CCC[N@@H+](C[C@H](O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000682030494 566140847 /nfs/dbraw/zinc/14/08/47/566140847.db2.gz MNPLUHCOOKCORZ-AWEZNQCLSA-N 1 0 387.307 2.677 20 0 GFADRO CC1(C)CN(CC(=O)Nc2c(Cl)cc(Cl)cc2Cl)CC[N@@H+]1CCO ZINC000682034818 566140977 /nfs/dbraw/zinc/14/09/77/566140977.db2.gz BOLAXWZEQZNTHB-UHFFFAOYSA-N 1 0 394.730 2.974 20 0 GFADRO C[NH+]1CCC(n2cc(NC(=O)c3cc(Br)ccc3O)cn2)CC1 ZINC000634087543 566142500 /nfs/dbraw/zinc/14/25/00/566142500.db2.gz ODVCHPYGNZDKEX-UHFFFAOYSA-N 1 0 379.258 2.870 20 0 GFADRO O[C@@H](COc1cc(F)cc(Br)c1)C[N@@H+]1CCC[C@H](n2ccnc2)C1 ZINC000682187305 566146318 /nfs/dbraw/zinc/14/63/18/566146318.db2.gz SCNRUAHEGIPCMW-JKSUJKDBSA-N 1 0 398.276 2.862 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)C(=O)N(C)CCCC[NH+](C)C ZINC000682283172 566148646 /nfs/dbraw/zinc/14/86/46/566148646.db2.gz XGCHIOVZXRCXTG-UHFFFAOYSA-N 1 0 384.318 2.750 20 0 GFADRO CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)Nc1cc(Br)c(C)cc1C ZINC000682274464 566148983 /nfs/dbraw/zinc/14/89/83/566148983.db2.gz QVHBGZGVWJFFTD-CQSZACIVSA-N 1 0 396.329 2.995 20 0 GFADRO C[C@@H](c1ccc(Br)cc1)N1CC[NH+](C[C@@]2(O)CCCOC2)CC1 ZINC000656700047 566155444 /nfs/dbraw/zinc/15/54/44/566155444.db2.gz WYOXJHYEQIYGSW-YJBOKZPZSA-N 1 0 383.330 2.669 20 0 GFADRO Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)c3cc[nH]c(=O)c3Br)C2)cc1 ZINC000634458536 566155530 /nfs/dbraw/zinc/15/55/30/566155530.db2.gz XPZSFGFOPLZWQG-AWEZNQCLSA-N 1 0 390.281 2.862 20 0 GFADRO Cn1ncc(C2CCC2)c1C[NH2+]C[C@H](O)COc1cccc(Br)c1 ZINC000656711567 566155718 /nfs/dbraw/zinc/15/57/18/566155718.db2.gz MECARYLLIFVTAV-HNNXBMFYSA-N 1 0 394.313 2.980 20 0 GFADRO CC(C)(C)N1CC[C@@H]1C[NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000656702276 566155839 /nfs/dbraw/zinc/15/58/39/566155839.db2.gz NOQXOQBQLMKFFB-HUUCEWRRSA-N 1 0 389.309 2.790 20 0 GFADRO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N(C)CCCC[NH+](C)C ZINC000682486274 566156990 /nfs/dbraw/zinc/15/69/90/566156990.db2.gz JQQFSSJQSJKSDG-AWEZNQCLSA-N 1 0 392.949 2.716 20 0 GFADRO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)NCc1ccc(Cl)c(Cl)c1 ZINC000612417933 566161528 /nfs/dbraw/zinc/16/15/28/566161528.db2.gz DTSWXIRGRDWLBZ-CYBMUJFWSA-N 1 0 386.323 2.846 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@H]1CN1C(=O)N[C@H](c2ccccc2Br)C1=O ZINC000656821898 566167610 /nfs/dbraw/zinc/16/76/10/566167610.db2.gz MNUISHZEBJWNJQ-SMDDNHRTSA-N 1 0 380.286 2.915 20 0 GFADRO CC(C)(C[NH2+]C[C@H](O)CC1(O)CCOCC1)c1ccccc1Br ZINC000634709292 566171330 /nfs/dbraw/zinc/17/13/30/566171330.db2.gz HAFRNAAAWQGOCD-CQSZACIVSA-N 1 0 386.330 2.609 20 0 GFADRO NC(=O)c1cccc(CC[NH2+]C[C@H](O)COc2cc(Cl)cc(Cl)c2)c1 ZINC000634703367 566171406 /nfs/dbraw/zinc/17/14/06/566171406.db2.gz UZHATWFBEYWTKW-INIZCTEOSA-N 1 0 383.275 2.664 20 0 GFADRO C[C@@H](CC(F)(F)F)CS(=O)(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000656879577 566173148 /nfs/dbraw/zinc/17/31/48/566173148.db2.gz QROJRJPBLZNTJM-ZDUSSCGKSA-N 1 0 382.448 2.635 20 0 GFADRO CC[N@@H+]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC2CC2)C[C@H]1C ZINC000612745872 566173558 /nfs/dbraw/zinc/17/35/58/566173558.db2.gz YTRFUYPNFXZMCC-GFCCVEGCSA-N 1 0 393.333 2.976 20 0 GFADRO CC[C@H](Cc1ccc(Br)cc1)[NH2+]C[C@@H](O)CC1(O)CCOCC1 ZINC000634722822 566173775 /nfs/dbraw/zinc/17/37/75/566173775.db2.gz VMWZVWKASUYBAG-SJORKVTESA-N 1 0 386.330 2.652 20 0 GFADRO COc1ccc(Br)cc1CN(C)C(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000612962374 566180507 /nfs/dbraw/zinc/18/05/07/566180507.db2.gz AYTAQMRLLBSVRC-OAHLLOKOSA-N 1 0 382.302 2.741 20 0 GFADRO COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000683010120 566180518 /nfs/dbraw/zinc/18/05/18/566180518.db2.gz WPMZPUVSQXHGBU-LLVKDONJSA-N 1 0 386.279 2.541 20 0 GFADRO C[C@@H]1C[C@H](NS(=O)(=O)Cc2cc(F)ccc2Br)C[N@@H+]1C1CC1 ZINC000656930370 566185607 /nfs/dbraw/zinc/18/56/07/566185607.db2.gz LCYMHZNJTHNBNP-MFKMUULPSA-N 1 0 391.306 2.633 20 0 GFADRO COc1cc(Br)c2nc(N3CC[NH+](C(C)C)CC3)nc(N)c2c1 ZINC000683183947 566186195 /nfs/dbraw/zinc/18/61/95/566186195.db2.gz PHYFEYUNFIAPJW-UHFFFAOYSA-N 1 0 380.290 2.514 20 0 GFADRO COc1cc(CN2C[C@H]3CC[C@@H](C2)[NH2+]3)cc(Br)c1OC(F)F ZINC000635002658 566187851 /nfs/dbraw/zinc/18/78/51/566187851.db2.gz WSLOFHPNSQVOQV-PHIMTYICSA-N 1 0 377.229 2.995 20 0 GFADRO Cc1c2cc(C(=O)NC3(CCO)CC[NH+](C)CC3)[nH]c2ccc1Br ZINC000613302061 566192677 /nfs/dbraw/zinc/19/26/77/566192677.db2.gz XKDUXFRPECZVNJ-UHFFFAOYSA-N 1 0 394.313 2.815 20 0 GFADRO O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1cscc1Cl ZINC000635147919 566196111 /nfs/dbraw/zinc/19/61/11/566196111.db2.gz JPQQAHLOBDCZED-AWEZNQCLSA-N 1 0 377.897 2.978 20 0 GFADRO C[NH+](C)C1CCC(NS(=O)(=O)Cc2cc(F)ccc2Br)CC1 ZINC000657017243 566206249 /nfs/dbraw/zinc/20/62/49/566206249.db2.gz MCHRFBNJTACFCQ-UHFFFAOYSA-N 1 0 393.322 2.880 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@@H](CNS(=O)(=O)Cc2ccccc2Br)C1 ZINC000657033545 566209311 /nfs/dbraw/zinc/20/93/11/566209311.db2.gz LYSYOGORHVKKBY-ZDUSSCGKSA-N 1 0 389.359 2.989 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@@H](CNS(=O)(=O)c2cccc(Br)c2F)C1 ZINC000657032601 566209613 /nfs/dbraw/zinc/20/96/13/566209613.db2.gz CDRWDOZWGDDYHZ-NSHDSACASA-N 1 0 393.322 2.987 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@@H](NS(=O)(=O)Cc2ccc(Br)c(F)c2)C1 ZINC000657060967 566215129 /nfs/dbraw/zinc/21/51/29/566215129.db2.gz KWHGTWLXMDHLTP-GFCCVEGCSA-N 1 0 393.322 2.880 20 0 GFADRO COC1CC[NH+](CCNC(=O)c2c(F)ccc(Br)c2F)CC1 ZINC000683858316 566216398 /nfs/dbraw/zinc/21/63/98/566216398.db2.gz LBLKOZFWDLOFEL-UHFFFAOYSA-N 1 0 377.229 2.568 20 0 GFADRO Cc1sc2nc(C)nc(SCC(=O)N3C[C@@H]4C[N@H+](C)C[C@@H]4C3)c2c1C ZINC000683879966 566217444 /nfs/dbraw/zinc/21/74/44/566217444.db2.gz ADDIFTLALYPJTD-OKILXGFUSA-N 1 0 376.551 2.729 20 0 GFADRO C[C@H](NC(=O)N1CC[C@H](n2cc(C[NH3+])nn2)C1)c1ccc(Cl)cc1Cl ZINC000635527897 566217484 /nfs/dbraw/zinc/21/74/84/566217484.db2.gz XSTHJFVRRJUIBY-GWCFXTLKSA-N 1 0 383.283 2.761 20 0 GFADRO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)c1cc(F)c(Cl)c(N)c1Cl ZINC000635561575 566218467 /nfs/dbraw/zinc/21/84/67/566218467.db2.gz SJNZCJZYLMFAJK-UHFFFAOYSA-N 1 0 391.318 2.813 20 0 GFADRO C[NH+](C)C[C@]1(O)CCCN(C(=O)c2cccc(Br)c2Cl)C1 ZINC000683911947 566218518 /nfs/dbraw/zinc/21/85/18/566218518.db2.gz QHZDFYKKOYDXRB-OAHLLOKOSA-N 1 0 375.694 2.631 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCN(CCN2CCOCC2)C1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000683939748 566219442 /nfs/dbraw/zinc/21/94/42/566219442.db2.gz KNBDBLJNSLCKPO-VVLHAWIVSA-N 1 0 383.989 2.890 20 0 GFADRO C[NH+](C)Cc1ccc(S(=O)(=O)NCc2c(F)c(F)cc(F)c2F)cc1 ZINC000683946042 566219627 /nfs/dbraw/zinc/21/96/27/566219627.db2.gz PLZLOLNOPNAGNQ-UHFFFAOYSA-N 1 0 376.375 2.783 20 0 GFADRO CC(C)(C[NH+]1CCOCC1)C(=O)N1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 ZINC000635633660 566220594 /nfs/dbraw/zinc/22/05/94/566220594.db2.gz YUAZOIRIDYPZOF-QWRGUYRKSA-N 1 0 376.341 2.544 20 0 GFADRO C[C@H](CCNS(=O)(=O)Cc1cc(Cl)ccc1Br)[NH+](C)C ZINC000657089775 566221083 /nfs/dbraw/zinc/22/10/83/566221083.db2.gz BVXGBPQSCJIWJY-SNVBAGLBSA-N 1 0 383.739 2.862 20 0 GFADRO Cc1nc(CS(=O)(=O)N[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cs1 ZINC000684107047 566228077 /nfs/dbraw/zinc/22/80/77/566228077.db2.gz RMUPIOPICUWCCF-YOEHRIQHSA-N 1 0 379.551 2.782 20 0 GFADRO C[C@H](NC(=O)N1CCN(c2cc[nH+]cc2)CC1)c1ccc(Br)cn1 ZINC000684410676 566235669 /nfs/dbraw/zinc/23/56/69/566235669.db2.gz GYCWYIRPEALJSR-ZDUSSCGKSA-N 1 0 390.285 2.832 20 0 GFADRO C[C@@H](NCC[N@@H+]1CC[C@H](C)C1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000684553126 566238089 /nfs/dbraw/zinc/23/80/89/566238089.db2.gz DNSRXUUCRBWMAP-WDEREUQCSA-N 1 0 380.341 2.633 20 0 GFADRO Cn1ccc(C[NH2+]C[C@@H]2CC(=O)N(C)[C@H]2c2cnn(Cc3ccccc3)c2)c1 ZINC000576613238 570492647 /nfs/dbraw/zinc/49/26/47/570492647.db2.gz FLOBQFRRKMYSNN-SIKLNZKXSA-N 1 0 377.492 2.579 20 0 GFADRO COCC[N@H+](CCC(=O)OC)Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000736994695 598832560 /nfs/dbraw/zinc/83/25/60/598832560.db2.gz KXIILWLVHJOJDX-UHFFFAOYSA-N 1 0 395.463 2.545 20 0 GFADRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)Nc1cc(-c2nn[nH]n2)cn1C(C)(C)C ZINC000736401850 598838397 /nfs/dbraw/zinc/83/83/97/598838397.db2.gz ZAZVHYWMGYJNER-HNNXBMFYSA-N 1 0 388.520 2.809 20 0 GFADRO Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)n1C[N@@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000737524683 598850387 /nfs/dbraw/zinc/85/03/87/598850387.db2.gz PVENRWSFBNGAKY-AWEZNQCLSA-N 1 0 392.389 2.665 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)CCc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000736266788 598868088 /nfs/dbraw/zinc/86/80/88/598868088.db2.gz KAIDICDJSYACJM-IEBWSBKVSA-N 1 0 396.539 2.912 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)C=Cc2ccccc2-c2nn[nH]n2)C1 ZINC000736268337 598868271 /nfs/dbraw/zinc/86/82/71/598868271.db2.gz SVLAGDHRZANECP-ZHJNCLIFSA-N 1 0 394.523 2.993 20 0 GFADRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(c2nc3c(cc2-c2nn[nH]n2)CCC3)C1 ZINC000736267268 598869999 /nfs/dbraw/zinc/86/99/99/598869999.db2.gz MOKKPCOXOHBJFV-HOTGVXAUSA-N 1 0 381.528 2.841 20 0 GFADRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(CCOc2ccccc2-c2nn[nH]n2)C1 ZINC000736265455 598870577 /nfs/dbraw/zinc/87/05/77/598870577.db2.gz AZNSURGMIVRIMY-ZWKOTPCHSA-N 1 0 384.528 2.832 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)Nc2cccc(-c3nn[nH]n3)c2)C1 ZINC000736268906 598876930 /nfs/dbraw/zinc/87/69/30/598876930.db2.gz VMFNQWGCPNUQKR-CVEARBPZSA-N 1 0 383.500 2.985 20 0 GFADRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)NCc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000736268398 598879658 /nfs/dbraw/zinc/87/96/58/598879658.db2.gz TXUPVKACRYERGX-FUHWJXTLSA-N 1 0 397.527 2.663 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)NCc2cccc(-c3nn[nH]n3)c2)C1 ZINC000736267215 598879916 /nfs/dbraw/zinc/87/99/16/598879916.db2.gz MKMVRKGAOGXNBJ-SJLPKXTDSA-N 1 0 397.527 2.663 20 0 GFADRO C[N@H+](CCC(=O)Nc1ccc(-c2nn[nH]n2)cc1)[C@H]1CCc2ccccc2C1 ZINC000736793262 598916952 /nfs/dbraw/zinc/91/69/52/598916952.db2.gz VOIKXWPHQCBWQH-IBGZPJMESA-N 1 0 376.464 2.685 20 0 GFADRO c1ccc2c(c1)nnc(-c1nn[nH]n1)c2N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000738432472 598959471 /nfs/dbraw/zinc/95/94/71/598959471.db2.gz GFDHIRDGCHVUBV-UHFFFAOYSA-N 1 0 392.511 2.902 20 0 GFADRO CCc1ccc([C@@H](C)[NH2+][C@H]2CCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)cc1 ZINC000736684947 598959747 /nfs/dbraw/zinc/95/97/47/598959747.db2.gz IIUPVCPCPFWLOF-KUHUBIRLSA-N 1 0 376.464 2.885 20 0 GFADRO COc1cc(-c2nn[nH]n2)ccc1OCC[NH+]1CCC(OC2CCCC2)CC1 ZINC000737032808 598984489 /nfs/dbraw/zinc/98/44/89/598984489.db2.gz NTLDRHPQTWBRRL-UHFFFAOYSA-N 1 0 387.484 2.678 20 0 GFADRO CCC[N@H+](CCC(=O)Nc1ccc(-c2nn[nH]n2)cc1)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000736472724 598989625 /nfs/dbraw/zinc/98/96/25/598989625.db2.gz XKDWFPNGCXUNIB-UHOSZYNNSA-N 1 0 398.511 2.721 20 0 GFADRO CCOCCC[N@@H+]1CC[C@@H](Nc2snc(Cl)c2-c2nn[nH]n2)[C@H](C)C1 ZINC000736614844 599063118 /nfs/dbraw/zinc/06/31/18/599063118.db2.gz IOEAJTHNMZYYLI-GHMZBOCLSA-N 1 0 385.925 2.526 20 0 GFADRO NC(=O)[C@H]([NH2+]CC1CCC(c2ccccc2)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000737729824 599098260 /nfs/dbraw/zinc/09/82/60/599098260.db2.gz CVXCCKWOMRLDHV-MKJPBZQASA-N 1 0 390.491 2.957 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)c2cccc(Oc3ccc(-c4nn[nH]n4)cc3)c2)CC[N@@H+]1C ZINC000736231697 599106468 /nfs/dbraw/zinc/10/64/68/599106468.db2.gz CDHODHKPTFRMFD-PBHICJAKSA-N 1 0 392.463 2.872 20 0 GFADRO C[C@@H]1C[N@H+](CC(=O)NCc2cccc(-c3nn[nH]n3)c2)CC[C@H]1c1ccccc1 ZINC000736284868 599144296 /nfs/dbraw/zinc/14/42/96/599144296.db2.gz HFDKYRJYUHBPNM-OXQOHEQNSA-N 1 0 390.491 2.609 20 0 GFADRO Cc1cccc(C2(O)CC[NH+](CCOc3ccc(-c4nn[nH]n4)cc3)CC2)c1C ZINC000737389635 599145633 /nfs/dbraw/zinc/14/56/33/599145633.db2.gz LVTLPYBOWXERTK-UHFFFAOYSA-N 1 0 393.491 2.846 20 0 GFADRO Cc1c(NC(=O)N(CCc2ccccc2)CC[NH+](C)C)cccc1-c1nn[nH]n1 ZINC000822085099 607284731 /nfs/dbraw/zinc/28/47/31/607284731.db2.gz WEFYQCYLUJDODZ-UHFFFAOYSA-N 1 0 393.495 2.813 20 0 GFADRO C[NH+](C)CCN(Cc1ccc(-c2nn[nH]n2)cc1)c1nc(C(F)(F)F)cs1 ZINC000821586173 607304367 /nfs/dbraw/zinc/30/43/67/607304367.db2.gz MTLPCTSDJNJBIY-UHFFFAOYSA-N 1 0 397.430 2.910 20 0 GFADRO COc1ccc(CNc2ccc(OCCC[NH+](C)C)cc2)cc1-c1nn[nH]n1 ZINC000821821756 607317055 /nfs/dbraw/zinc/31/70/55/607317055.db2.gz VJWCRCHSFXOUGI-UHFFFAOYSA-N 1 0 382.468 2.818 20 0 GFADRO C[C@@H]([NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1cccc(Cl)c1Cl ZINC000736137233 599276099 /nfs/dbraw/zinc/27/60/99/599276099.db2.gz WIZQZJNLSLFNSD-NXEZZACHSA-N 1 0 393.282 2.763 20 0 GFADRO CC(C)[NH+]1CCC(NC(=O)Nc2ccc(-c3nn[nH]n3)c(C(F)(F)F)c2)CC1 ZINC000820129319 599288437 /nfs/dbraw/zinc/28/84/37/599288437.db2.gz ZFTBOPYRWAPLCW-UHFFFAOYSA-N 1 0 397.405 2.880 20 0 GFADRO Clc1cccc(OCC[NH+]2CCN(c3ccccc3-c3nn[nH]n3)CC2)c1 ZINC000737574510 598291766 /nfs/dbraw/zinc/29/17/66/598291766.db2.gz LEDJWIOPKITVFR-UHFFFAOYSA-N 1 0 384.871 2.721 20 0 GFADRO C[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000736821925 598354401 /nfs/dbraw/zinc/35/44/01/598354401.db2.gz IDWZXBLAJQCQSG-UHFFFAOYSA-N 1 0 386.500 2.946 20 0 GFADRO C[C@H](NC(=O)OC(C)(C)C)C1CC[NH+](Cc2ccccc2-c2nn[nH]n2)CC1 ZINC000736118178 598405988 /nfs/dbraw/zinc/40/59/88/598405988.db2.gz UKKJNCANGOLSQQ-AWEZNQCLSA-N 1 0 386.500 2.992 20 0 GFADRO Cc1ccc(F)c(C(=O)N2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)c1 ZINC000737343621 598420025 /nfs/dbraw/zinc/42/00/25/598420025.db2.gz QCTYXZNEVOBVFK-UHFFFAOYSA-N 1 0 394.454 2.662 20 0 GFADRO CN(C(=O)OC(C)(C)C)C1CC[NH+](Cc2ccc(F)cc2-c2nn[nH]n2)CC1 ZINC000736749803 598428581 /nfs/dbraw/zinc/42/85/81/598428581.db2.gz RXCJUDDJNFNKOS-UHFFFAOYSA-N 1 0 390.463 2.837 20 0 GFADRO C[C@@H]([NH2+]Cc1cnc2c(-c3nn[nH]n3)cnn2c1)c1cc2ccccc2s1 ZINC000736133474 598428639 /nfs/dbraw/zinc/42/86/39/598428639.db2.gz HHKZGBSTIPVYOV-LLVKDONJSA-N 1 0 376.449 2.975 20 0 GFADRO CC(C)N(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)NC[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000736265639 598428718 /nfs/dbraw/zinc/42/87/18/598428718.db2.gz KNILZIUOYYGHIC-IAGOWNOFSA-N 1 0 399.543 2.907 20 0 GFADRO CC(C)N(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000736017554 598429696 /nfs/dbraw/zinc/42/96/96/598429696.db2.gz PABQYHKTFSXTFZ-QGZVFWFLSA-N 1 0 399.543 2.909 20 0 GFADRO CCCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)NC1CC[NH+](CCC)CC1 ZINC000736479226 598429972 /nfs/dbraw/zinc/42/99/72/598429972.db2.gz DYWQUFCIUOMMAJ-UHFFFAOYSA-N 1 0 385.516 2.663 20 0 GFADRO c1cc(OCC[N@@H+]2CCC[C@@H]2c2cccc3c2OCCO3)cc(-c2nn[nH]n2)c1 ZINC000738417747 598463279 /nfs/dbraw/zinc/46/32/79/598463279.db2.gz AFRBDHRJNHKSGI-GOSISDBHSA-N 1 0 393.447 2.854 20 0 GFADRO CCCO[C@@H]1CCC[N@H+](CC(=O)Nc2cc(Cl)ccc2-c2nn[nH]n2)CC1 ZINC000736489026 598507323 /nfs/dbraw/zinc/50/73/23/598507323.db2.gz SIMQEPRDMXSAIY-CQSZACIVSA-N 1 0 392.891 2.740 20 0 GFADRO C[NH+](C)CCCOc1ccc(NC(=O)Nc2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000736767056 598511178 /nfs/dbraw/zinc/51/11/78/598511178.db2.gz JZYUOWUQUHZYPP-UHFFFAOYSA-N 1 0 381.440 2.841 20 0 GFADRO CCC(CC)[C@H]([NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1ccccc1 ZINC000736338614 598524255 /nfs/dbraw/zinc/52/42/55/598524255.db2.gz YYORELRRMQUASA-KSSFIOAISA-N 1 0 380.500 2.872 20 0 GFADRO CC[N@H+](CC(=O)Nc1cccc(-c2nn[nH]n2)c1)[C@@H](C)Cc1ccc(OC)cc1 ZINC000736510717 598557679 /nfs/dbraw/zinc/55/76/79/598557679.db2.gz HGHUCMXFCOVZLS-HNNXBMFYSA-N 1 0 394.479 2.767 20 0 GFADRO c1coc([C@H](CNc2nc3ccccn3c2-c2nn[nH]n2)[NH+]2CCCCC2)c1 ZINC000738447576 598567170 /nfs/dbraw/zinc/56/71/70/598567170.db2.gz HGPVLDQIKGRPCB-AWEZNQCLSA-N 1 0 378.440 2.747 20 0 GFADRO C[C@@H]([NH2+]C(C)(C)CNC(=O)CNc1ccc(-c2nn[nH]n2)cc1)c1ccccc1 ZINC000736124129 598589064 /nfs/dbraw/zinc/58/90/64/598589064.db2.gz FGJJOTORRLIGSL-OAHLLOKOSA-N 1 0 393.495 2.524 20 0 GFADRO Brc1cnn(C2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)c1 ZINC000735374395 598594267 /nfs/dbraw/zinc/59/42/67/598594267.db2.gz BYPFRGWVWTVVFU-UHFFFAOYSA-N 1 0 388.273 2.663 20 0 GFADRO CC(=O)N1CCCCC[C@@H]1C1CC[NH+](Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000735466360 598594564 /nfs/dbraw/zinc/59/45/64/598594564.db2.gz UPFYPJPSIPQMPV-HXUWFJFHSA-N 1 0 382.512 2.870 20 0 GFADRO c1ccc(-c2nn[nH]n2)c(OCC[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCO3)c1 ZINC000738424277 598615057 /nfs/dbraw/zinc/61/50/57/598615057.db2.gz CXZMFNRSYQARER-INIZCTEOSA-N 1 0 379.420 2.811 20 0 GFADRO c1cc(CN2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)cc2c1OCC2 ZINC000738404665 598622507 /nfs/dbraw/zinc/62/25/07/598622507.db2.gz ILNDFPRDOIIJEJ-UHFFFAOYSA-N 1 0 390.491 2.510 20 0 GFADRO C[C@@H](c1ccc(-n2cncn2)cc1)[N@H+](C)Cc1ccc(F)cc1-c1nn[nH]n1 ZINC000736202136 598677730 /nfs/dbraw/zinc/67/77/30/598677730.db2.gz ZLCVQTZQCHLOEW-ZDUSSCGKSA-N 1 0 378.415 2.780 20 0 GFADRO O=C(C[N@H+]1CC[C@@H](c2ccc(Cl)cc2)C1)Nc1cccc(-c2nn[nH]n2)c1 ZINC000737877980 598708853 /nfs/dbraw/zinc/70/88/53/598708853.db2.gz YCUVONWDDWJIAZ-OAHLLOKOSA-N 1 0 382.855 2.948 20 0 GFADRO C[C@H](CNC(=O)N[C@@H](C)c1ccc(-c2nn[nH]n2)cc1)[N@H+](C)Cc1ccccc1 ZINC000736118916 598715246 /nfs/dbraw/zinc/71/52/46/598715246.db2.gz PZCSSHPKDMLZJG-CVEARBPZSA-N 1 0 393.495 2.747 20 0 GFADRO CC(C)[C@H](c1ccccc1)[N@H+](C)CC(=O)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000735735964 598796351 /nfs/dbraw/zinc/79/63/51/598796351.db2.gz QZSDHGDMNNXQCM-HXUWFJFHSA-N 1 0 378.480 2.812 20 0 GFADRO CC(C)[C@@H](c1ccccc1)[N@H+](C)CC(=O)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000735735962 598796535 /nfs/dbraw/zinc/79/65/35/598796535.db2.gz QZSDHGDMNNXQCM-FQEVSTJZSA-N 1 0 378.480 2.812 20 0 GFADRO CC[NH+](CC)[C@@H](C(=O)N(C)Cc1cccc(-c2nn[nH]n2)c1)c1ccccc1 ZINC000736533430 598808383 /nfs/dbraw/zinc/80/83/83/598808383.db2.gz GQFZUVBZJYJGLR-LJQANCHMSA-N 1 0 378.480 2.908 20 0 GFADRO C[C@@H](CC[NH+](C)C)NC(=O)c1ccc(OCc2ccccc2-c2nn[nH]n2)cc1 ZINC000735987663 598813064 /nfs/dbraw/zinc/81/30/64/598813064.db2.gz XANSZEIJZZYVLI-HNNXBMFYSA-N 1 0 394.479 2.516 20 0 GFADRO O=C(Nc1ccc(-c2nn[nH]n2)c(C(F)(F)F)c1)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000823303024 599295495 /nfs/dbraw/zinc/29/54/95/599295495.db2.gz CEVCMKUJYVYLCJ-NEPJUHHUSA-N 1 0 395.389 2.634 20 0 GFADRO Cc1cc(Oc2ncccc2-c2nn[nH]n2)ccc1NC(=O)C1CC[NH+](C)CC1 ZINC000737280216 599319164 /nfs/dbraw/zinc/31/91/64/599319164.db2.gz OGWMXEVEPUVLSQ-UHFFFAOYSA-N 1 0 393.451 2.643 20 0 GFADRO C[C@H]1SCC[N@H+](CCC(=O)Nc2sc3c(c2-c2nn[nH]n2)CCC3)[C@@H]1C ZINC000736301516 599322301 /nfs/dbraw/zinc/32/23/01/599322301.db2.gz OCUVDLPDXGBMOP-GHMZBOCLSA-N 1 0 392.554 2.571 20 0 GFADRO Cc1csc(C2([NH2+]CCC(=O)Nc3ccc(-c4nn[nH]n4)cc3)CCC2)n1 ZINC000737454753 599355649 /nfs/dbraw/zinc/35/56/49/599355649.db2.gz GBMXHOCTVMBZOI-UHFFFAOYSA-N 1 0 383.481 2.629 20 0 GFADRO Cc1ccccc1CN(C)C(=O)[C@H](C)[NH2+][C@H](C)c1cccc(-c2nn[nH]n2)c1 ZINC000822355984 599388998 /nfs/dbraw/zinc/38/89/98/599388998.db2.gz FLLYRAUKLIGPOK-CVEARBPZSA-N 1 0 378.480 2.873 20 0 GFADRO c1csc(C[NH+]2CCN(c3cc(-c4nn[nH]n4)c4ccccc4n3)CC2)c1 ZINC000738451006 599398508 /nfs/dbraw/zinc/39/85/08/599398508.db2.gz ACFLFUUVXPDEHH-UHFFFAOYSA-N 1 0 377.477 2.799 20 0 GFADRO COc1ccc(C(C)(C)C[NH2+]Cc2ccc(OC)c(-c3nn[nH]n3)c2)cc1OC ZINC000821772783 599431228 /nfs/dbraw/zinc/43/12/28/599431228.db2.gz PMLLAWYKWAPFCN-UHFFFAOYSA-N 1 0 397.479 2.960 20 0 GFADRO C[C@H](NC(=O)NCc1ccc(F)c(C[NH+](C)C)c1)c1cccc(-c2nn[nH]n2)c1 ZINC000820375007 599442071 /nfs/dbraw/zinc/44/20/71/599442071.db2.gz VUXZNVKZALZIKD-ZDUSSCGKSA-N 1 0 397.458 2.628 20 0 GFADRO Fc1cccc2c1SCC[C@@H]2[NH2+]Cc1cnc2ccc(-c3nn[nH]n3)cn12 ZINC000737666408 599483198 /nfs/dbraw/zinc/48/31/98/599483198.db2.gz XLRWKBRGNHWJPA-HNNXBMFYSA-N 1 0 381.440 2.980 20 0 GFADRO C[NH+](C)[C@@H](CNc1c(-c2nn[nH]n2)cnc2ccccc21)c1ccc(F)cc1 ZINC000821581087 599485346 /nfs/dbraw/zinc/48/53/46/599485346.db2.gz CARSZWSHPUFVDV-SFHVURJKSA-N 1 0 377.427 2.691 20 0 GFADRO c1nc2ccc(-c3nn[nH]n3)cn2c1C[NH2+]Cc1ccc(OC2CCCC2)nc1 ZINC000738418468 599485595 /nfs/dbraw/zinc/48/55/95/599485595.db2.gz JABSXGNZPUQXHM-UHFFFAOYSA-N 1 0 390.451 2.521 20 0 GFADRO CC[NH+](CC)CC(=O)Nc1c(-c2nn[nH]n2)c(C)c(C)n1Cc1ccc(F)cc1 ZINC000736533751 599509261 /nfs/dbraw/zinc/50/92/61/599509261.db2.gz KDUBIZJUZLGJGT-UHFFFAOYSA-N 1 0 399.474 2.753 20 0 GFADRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1sccc1-c1nn[nH]n1 ZINC000821197946 599545979 /nfs/dbraw/zinc/54/59/79/599545979.db2.gz PGVFZXTVZWTSPZ-MRXNPFEDSA-N 1 0 396.520 2.912 20 0 GFADRO C[C@H](C(=O)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)c1ccsc1 ZINC000735521367 599560929 /nfs/dbraw/zinc/56/09/29/599560929.db2.gz UHRIPAKDDHONEL-HNNXBMFYSA-N 1 0 396.520 2.766 20 0 GFADRO CC(C)[N@H+](C)CCNC(=O)c1cccc(Nc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000735856540 599568864 /nfs/dbraw/zinc/56/88/64/599568864.db2.gz JUACRZVRGJZVMU-UHFFFAOYSA-N 1 0 379.468 2.680 20 0 GFADRO COCC[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)C[C@@H](O)c1cccc(Cl)c1 ZINC000821690425 599570799 /nfs/dbraw/zinc/57/07/99/599570799.db2.gz LFIRMXMOIZMEIB-GOSISDBHSA-N 1 0 387.871 2.702 20 0 GFADRO C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)Nc1cccc(F)c1-c1nn[nH]n1 ZINC000820262044 599575545 /nfs/dbraw/zinc/57/55/45/599575545.db2.gz QYQVYNMOVLBTLT-HNNXBMFYSA-N 1 0 381.459 2.628 20 0 GFADRO C[C@@H](c1ccc(-c2nn[nH]n2)cc1)[N@@H+]1CCc2c(cccc2N2CCOC2=O)C1 ZINC000820561908 599583760 /nfs/dbraw/zinc/58/37/60/599583760.db2.gz BKSCDXJJIULGOA-AWEZNQCLSA-N 1 0 390.447 2.943 20 0 GFADRO Cc1ccccc1[C@@H]1C[C@H](C)[N@@H+](CC(=O)NCc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000737423501 599585074 /nfs/dbraw/zinc/58/50/74/599585074.db2.gz VHLWDABVVXEIKZ-QFBILLFUSA-N 1 0 390.491 2.669 20 0 GFADRO COc1ccccc1[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccccc2-c2nn[nH]n2)C1 ZINC000737148711 599592216 /nfs/dbraw/zinc/59/22/16/599592216.db2.gz USFSXWQEEKSNLG-HUUCEWRRSA-N 1 0 392.463 2.692 20 0 GFADRO COc1ccccc1[C@H]1CC[N@H+](CCC(=O)Nc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000737146672 599592841 /nfs/dbraw/zinc/59/28/41/599592841.db2.gz JCSLSSNXYMHIMY-INIZCTEOSA-N 1 0 392.463 2.693 20 0 GFADRO CCc1nsc(N2CCC[N@@H+]([C@@H](C)c3ccc(-c4nn[nH]n4)cc3)CC2)n1 ZINC000821558814 599596520 /nfs/dbraw/zinc/59/65/20/599596520.db2.gz FZVNJNGTGKFIQL-ZDUSSCGKSA-N 1 0 384.513 2.554 20 0 GFADRO OC[C@@H]1CCC[N@H+](Cc2cccc(OCc3cccc(-c4nn[nH]n4)c3)c2)C1 ZINC000823715638 607385984 /nfs/dbraw/zinc/38/59/84/607385984.db2.gz VZIDYTJURVVGKT-GOSISDBHSA-N 1 0 379.464 2.650 20 0 GFADRO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@@H+](C)C2CCC2)c1-c1nn[nH]n1 ZINC000822016194 599641767 /nfs/dbraw/zinc/64/17/67/599641767.db2.gz WGWAMYIIOZXKKW-UHFFFAOYSA-N 1 0 397.458 2.836 20 0 GFADRO CC[C@@H]1Oc2cc([C@@H](C)[NH2+]Cc3ccc(-c4nn[nH]n4)cc3)ccc2NC1=O ZINC000821002642 599646973 /nfs/dbraw/zinc/64/69/73/599646973.db2.gz YFKNYQZLQGWUKV-PXAZEXFGSA-N 1 0 378.436 2.827 20 0 GFADRO CC[NH+](CC)[C@@H](CNC(=O)N[C@@H](C)c1cccc(-c2nn[nH]n2)c1)c1ccco1 ZINC000821182185 599673393 /nfs/dbraw/zinc/67/33/93/599673393.db2.gz SGNSPWUEGGLTEX-YOEHRIQHSA-N 1 0 397.483 2.903 20 0 GFADRO CC(C)Oc1ccc(NC(=O)NC[C@@H](C)C[NH+]2CCCC2)cc1-c1nn[nH]n1 ZINC000820268762 607429821 /nfs/dbraw/zinc/42/98/21/607429821.db2.gz DXOBJRKALSMJSP-CQSZACIVSA-N 1 0 387.488 2.507 20 0 GFADRO CC(C)Oc1ccc(NC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cc1-c1nn[nH]n1 ZINC000820165308 607432794 /nfs/dbraw/zinc/43/27/94/607432794.db2.gz OOWOEAQUENACKO-YOEHRIQHSA-N 1 0 399.499 2.602 20 0 GFADRO C[C@H]([C@H]1Cc2ccccc2O1)[N@H+](C)CCC(=O)Nc1ccccc1-c1nn[nH]n1 ZINC000824377280 607472412 /nfs/dbraw/zinc/47/24/12/607472412.db2.gz AQOQIOAHEXGPKI-AUUYWEPGSA-N 1 0 392.463 2.519 20 0 GFADRO CC(C)(C)OC(=O)N1CC[C@H]([N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C2CC2)C1 ZINC000824103851 607473642 /nfs/dbraw/zinc/47/36/42/607473642.db2.gz JYZCMDUKGHPPSY-KRWDZBQOSA-N 1 0 384.484 2.841 20 0 GFADRO O[C@H](C[C@@H]1CCC[N@@H+]1C[C@H](O)c1ccc(-c2nn[nH]n2)cc1)c1ccc(F)cc1 ZINC000826502249 607476313 /nfs/dbraw/zinc/47/63/13/607476313.db2.gz ZZKRLMWDRKMLFD-ZCNNSNEGSA-N 1 0 397.454 2.627 20 0 GFADRO CC(C)(C)OC(=O)N1CCCC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC000819933398 607480115 /nfs/dbraw/zinc/48/01/15/607480115.db2.gz QDEHFONRMICIHC-OAHLLOKOSA-N 1 0 390.463 2.885 20 0 GFADRO O[C@H]([C@@H](Cc1ccccc1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)C(F)(F)F ZINC000823673692 607482912 /nfs/dbraw/zinc/48/29/12/607482912.db2.gz MHXXMCMPMPCZIE-HZPDHXFCSA-N 1 0 395.360 2.630 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000737856408 601020180 /nfs/dbraw/zinc/02/01/80/601020180.db2.gz XOZSVPXDEHFRMM-QGZVFWFLSA-N 1 0 377.489 2.656 20 0 GFADRO COc1ccc(C[N@@H+]2CCC[C@@H]2c2cccc3c2OCCO3)cc1-c1nn[nH]n1 ZINC000826194131 607495154 /nfs/dbraw/zinc/49/51/54/607495154.db2.gz BSJPQDZYAKBYCX-QGZVFWFLSA-N 1 0 393.447 2.984 20 0 GFADRO COc1ccc(CN2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)cc1-c1nn[nH]n1 ZINC000826194592 607501828 /nfs/dbraw/zinc/50/18/28/607501828.db2.gz QHDSPVSJEKAYIS-SJLPKXTDSA-N 1 0 384.528 2.962 20 0 GFADRO CC[N@@H+](Cc1cc(-c2nn[nH]n2)ccc1OC)C[C@H]1COc2ccccc2O1 ZINC000821222690 607504185 /nfs/dbraw/zinc/50/41/85/607504185.db2.gz XDGQLPBPHXLZHK-INIZCTEOSA-N 1 0 381.436 2.537 20 0 GFADRO COc1ccc(C[NH+]2CCC3(CC2)OCc2ccccc23)cc1-c1nn[nH]n1 ZINC000826194272 607515244 /nfs/dbraw/zinc/51/52/44/607515244.db2.gz HOWVOGXTJKUREF-UHFFFAOYSA-N 1 0 377.448 2.897 20 0 GFADRO CCOC(=O)CCC1CC[NH+](CCCOc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000825507453 607526507 /nfs/dbraw/zinc/52/65/07/607526507.db2.gz RFOVVHFSCGDTSU-UHFFFAOYSA-N 1 0 387.484 2.691 20 0 GFADRO CCOc1ccc(C[NH2+]Cc2ccc(OC)c(-c3nn[nH]n3)c2)cc1OCC ZINC000825638112 607566985 /nfs/dbraw/zinc/56/69/85/607566985.db2.gz FWGFZTNLXLENKU-UHFFFAOYSA-N 1 0 383.452 2.963 20 0 GFADRO COc1ccc(-c2nn[nH]n2)cc1CN(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000826182072 607637605 /nfs/dbraw/zinc/63/76/05/607637605.db2.gz ZBIFYVNBTINOLB-HXUWFJFHSA-N 1 0 392.507 2.972 20 0 GFADRO COc1ccc(-c2nn[nH]n2)cc1C[N@H+](CCc1ccccc1)[C@@H]1CCOC1 ZINC000826182729 607641016 /nfs/dbraw/zinc/64/10/16/607641016.db2.gz RZLYQISYJCYUAI-LJQANCHMSA-N 1 0 379.464 2.709 20 0 GFADRO Cc1cc(-c2nn[nH]n2)ccc1C(=O)Nc1ccc(N2CCC[N@@H+](C)CC2)cc1 ZINC000826250176 607665799 /nfs/dbraw/zinc/66/57/99/607665799.db2.gz OCTOJMMJKZMZIU-UHFFFAOYSA-N 1 0 391.479 2.569 20 0 GFADRO Cc1cc(-c2nn[nH]n2)ccc1C(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000826243892 607689555 /nfs/dbraw/zinc/68/95/55/607689555.db2.gz ZPOITMDSXBCVSA-UHFFFAOYSA-N 1 0 390.491 2.912 20 0 GFADRO Cc1cc(-c2nn[nH]n2)ccc1C(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000826245256 607694776 /nfs/dbraw/zinc/69/47/76/607694776.db2.gz SGEWSAVGNQGIHE-QGZVFWFLSA-N 1 0 390.491 2.912 20 0 GFADRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)c3ccc(-c4nn[nH]n4)[nH]3)cc2)C1 ZINC000824874543 607699390 /nfs/dbraw/zinc/69/93/90/607699390.db2.gz DPOJXHOPPCQEIK-HUUCEWRRSA-N 1 0 393.495 2.603 20 0 GFADRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)Nc1ccc(-c2nn[nH]n2)cc1Cl ZINC000824261103 607764697 /nfs/dbraw/zinc/76/46/97/607764697.db2.gz AFWNKPPQYRVDBX-CYBMUJFWSA-N 1 0 377.880 2.762 20 0 GFADRO O=C([O-])NC[C@@H]1CCCC[C@H]1[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000834224348 605915834 /nfs/dbraw/zinc/91/58/34/605915834.db2.gz YEWOTKWHWSVIBA-DFQSSKMNSA-N 1 0 375.513 2.559 20 0 GFADRO O=C(NCc1ccc(-c2nn[nH]n2)cc1F)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000823249673 606019604 /nfs/dbraw/zinc/01/96/04/606019604.db2.gz FZCCDTSCNHXDLW-IBGZPJMESA-N 1 0 394.454 2.677 20 0 GFADRO C[C@@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000820721793 606110847 /nfs/dbraw/zinc/11/08/47/606110847.db2.gz BKFVHRCGPFTXNY-QGZVFWFLSA-N 1 0 390.491 2.532 20 0 GFADRO C[C@@H]1[C@@H](Cc2ccccc2)CC[N@@H+]1CC(=O)Nc1sccc1-c1nn[nH]n1 ZINC000820643275 606112627 /nfs/dbraw/zinc/11/26/27/606112627.db2.gz SUXNGXMMWRNMAT-UKRRQHHQSA-N 1 0 382.493 2.820 20 0 GFADRO CC(C)(CCc1ccccc1)[NH2+]C[C@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000819981223 606198234 /nfs/dbraw/zinc/19/82/34/606198234.db2.gz RQTRFWXDLLAXJV-SFHVURJKSA-N 1 0 381.480 2.607 20 0 GFADRO O=C(Nc1ccc(C[NH2+]Cc2cc(-c3nn[nH]n3)cs2)cc1)c1ccncc1 ZINC000823323655 606216516 /nfs/dbraw/zinc/21/65/16/606216516.db2.gz XVLQMFWFWKFDCY-UHFFFAOYSA-N 1 0 391.460 2.865 20 0 GFADRO C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC000820649058 606257538 /nfs/dbraw/zinc/25/75/38/606257538.db2.gz IGDOINOFFFXIHI-GJZGRUSLSA-N 1 0 393.495 2.603 20 0 GFADRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC000820649057 606257979 /nfs/dbraw/zinc/25/79/79/606257979.db2.gz IGDOINOFFFXIHI-GASCZTMLSA-N 1 0 393.495 2.603 20 0 GFADRO O=S(=O)(CC[NH2+][C@@H]1CC[C@@H]2CCCC[C@@H]2C1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823561138 606307894 /nfs/dbraw/zinc/30/78/94/606307894.db2.gz AEDLIEKYSDTRJU-USXIJHARSA-N 1 0 389.525 2.589 20 0 GFADRO C[N@H+](CCCCc1ccccc1)[C@H]1CCN(c2sccc2-c2nn[nH]n2)C1=O ZINC000821599103 606315582 /nfs/dbraw/zinc/31/55/82/606315582.db2.gz FWODESPNIOMNAP-KRWDZBQOSA-N 1 0 396.520 2.988 20 0 GFADRO O=C1[C@H]([N@@H+]2CCC[C@]3(CC=CCC3)C2)CCN1c1sccc1-c1nn[nH]n1 ZINC000823503780 606323833 /nfs/dbraw/zinc/32/38/33/606323833.db2.gz ISSLATPUANUWHN-DNVCBOLYSA-N 1 0 384.509 2.856 20 0 GFADRO O=C(CCc1ccccc1)N1CCC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000822982203 606334909 /nfs/dbraw/zinc/33/49/09/606334909.db2.gz BWDWYSRGMRACCD-UHFFFAOYSA-N 1 0 390.491 2.534 20 0 GFADRO C[C@]1(CCc2ccccc2)CC[N@@H+]([C@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000820612236 606337523 /nfs/dbraw/zinc/33/75/23/606337523.db2.gz CECCPZTUBMYLJP-UGKGYDQZSA-N 1 0 390.491 2.738 20 0 GFADRO CCCCO[C@@H]1C[C@@H]([NH2+][C@@H]2CCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)C1(C)C ZINC000821072661 606372142 /nfs/dbraw/zinc/37/21/42/606372142.db2.gz VMVKXFCHFIFJBF-KZNAEPCWSA-N 1 0 398.511 2.545 20 0 GFADRO c1cc(-c2nn[nH]n2)sc1C[NH2+]Cc1cccc(COC2CCOCC2)c1 ZINC000823751975 606419010 /nfs/dbraw/zinc/41/90/10/606419010.db2.gz UWMFFBMAPQNANU-UHFFFAOYSA-N 1 0 385.493 2.914 20 0 GFADRO CC[C@H]1Oc2cc([C@H](C)[NH2+]Cc3ccc(-c4nn[nH]n4)s3)ccc2NC1=O ZINC000821000925 606425857 /nfs/dbraw/zinc/42/58/57/606425857.db2.gz MADPQSBDLWDBIK-IINYFYTJSA-N 1 0 384.465 2.889 20 0 GFADRO FC(F)(F)[C@H]1CCC[C@@H](C[NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)C1 ZINC000822713966 606475703 /nfs/dbraw/zinc/47/57/03/606475703.db2.gz DGJFEFUCGBICKR-YPMHNXCESA-N 1 0 379.390 2.973 20 0 GFADRO c1nc2ccc(-c3nn[nH]n3)cn2c1C[NH2+]C[C@@H]1SCCc2ccccc21 ZINC000823797422 606483733 /nfs/dbraw/zinc/48/37/33/606483733.db2.gz OJUNUWWVNJKNRI-KRWDZBQOSA-N 1 0 377.477 2.635 20 0 GFADRO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@H+]2CCC[C@H]2C)c1-c1nn[nH]n1 ZINC000822015011 606504346 /nfs/dbraw/zinc/50/43/46/606504346.db2.gz BEUYRSDFKKJMIY-CQSZACIVSA-N 1 0 393.495 2.756 20 0 GFADRO c1ccc(CC[N@@H+](CCOc2ccc(-c3nn[nH]n3)cc2)[C@@H]2CCOC2)cc1 ZINC000823780053 606526220 /nfs/dbraw/zinc/52/62/20/606526220.db2.gz NDFLNDZFUHQAGW-LJQANCHMSA-N 1 0 379.464 2.579 20 0 GFADRO C[C@@H]1CCN(C(=O)c2cc(-c3nn[nH]n3)cs2)CC[N@@H+]1Cc1ccccc1 ZINC000820717788 606544518 /nfs/dbraw/zinc/54/45/18/606544518.db2.gz WFEIPKQRHRGIOX-CQSZACIVSA-N 1 0 382.493 2.665 20 0 GFADRO Cc1c[nH+]ccc1N1CCC(C(=O)Nc2ccc(F)cc2-c2nn[nH]n2)CC1 ZINC000822399768 606546718 /nfs/dbraw/zinc/54/67/18/606546718.db2.gz MPEOYUPHRREOAL-UHFFFAOYSA-N 1 0 381.415 2.564 20 0 GFADRO COC(=O)c1cc(C[NH2+]Cc2cccc(-c3ccc(-c4nn[nH]n4)s3)c2)c[nH]1 ZINC000821667119 606611407 /nfs/dbraw/zinc/61/14/07/606611407.db2.gz VUYUPFBJBWEBKW-UHFFFAOYSA-N 1 0 394.460 3.000 20 0 GFADRO C[N@H+](CCCOc1ccc(-c2nn[nH]n2)cc1)Cc1ccc([S@](C)=O)cc1 ZINC000821600678 606616735 /nfs/dbraw/zinc/61/67/35/606616735.db2.gz YDMFKRRGUOVGNZ-MHZLTWQESA-N 1 0 385.493 2.505 20 0 GFADRO Cc1cc(N2CCC([NH2+][C@H](C)c3ccc(-c4nn[nH]n4)cc3)CC2)nc(C)n1 ZINC000822206917 606622516 /nfs/dbraw/zinc/62/25/16/606622516.db2.gz CVFRBVJHWSDSLM-CQSZACIVSA-N 1 0 378.484 2.593 20 0 GFADRO C[C@H]1C[C@@H](NC(=O)c2ccccc2-c2ccccc2-c2nn[nH]n2)C[N@@H+]1C1CC1 ZINC000820655437 606624262 /nfs/dbraw/zinc/62/42/62/606624262.db2.gz AYUMFYODMOFUSR-LSDHHAIUSA-N 1 0 388.475 2.889 20 0 GFADRO COC(=O)[C@H]1C[N@H+](Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)C[C@H]1C ZINC000821657081 606716427 /nfs/dbraw/zinc/71/64/27/606716427.db2.gz GVNBEBZGWIFYSH-KUHUBIRLSA-N 1 0 377.448 2.775 20 0 GFADRO C[C@@H](C(=O)Nc1ccccc1-c1nn[nH]n1)[N@@H+]1CC[C@@](C)(c2ccccc2)C1 ZINC000819877233 606717620 /nfs/dbraw/zinc/71/76/20/606717620.db2.gz RMMHILVPXAVUAN-YCRPNKLZSA-N 1 0 376.464 2.857 20 0 GFADRO COc1cc(C[N@@H+]2CC[C@H](Nc3cccc(F)c3-c3nn[nH]n3)C2)cc(OC)c1 ZINC000821717612 606728291 /nfs/dbraw/zinc/72/82/91/606728291.db2.gz ROQIYRXKMCBADV-AWEZNQCLSA-N 1 0 398.442 2.709 20 0 GFADRO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)c1ccc(-c2nn[nH]n2)s1 ZINC000820758727 606748535 /nfs/dbraw/zinc/74/85/35/606748535.db2.gz CGGKCDIHHUSNGD-UOIKSKOESA-N 1 0 396.520 2.815 20 0 GFADRO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)c1sccc1-c1nn[nH]n1 ZINC000820761750 606748574 /nfs/dbraw/zinc/74/85/74/606748574.db2.gz ZFASZJDIAAFOIE-HALDLXJZSA-N 1 0 396.520 2.815 20 0 GFADRO FC(F)Oc1cc2c(cc1C[NH2+]Cc1cc(-c3nn[nH]n3)cs1)OCO2 ZINC000822733194 606772346 /nfs/dbraw/zinc/77/23/46/606772346.db2.gz SBLCUFJDXISMLQ-UHFFFAOYSA-N 1 0 381.364 2.548 20 0 GFADRO C[C@@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@@H+]1Cc1cccc2ccccc21 ZINC000820803984 606780397 /nfs/dbraw/zinc/78/03/97/606780397.db2.gz KQZURLBZFMTHFN-OAHLLOKOSA-N 1 0 386.463 2.521 20 0 GFADRO CN(C(=O)Nc1ccc(-c2nn[nH]n2)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000821572268 606783440 /nfs/dbraw/zinc/78/34/40/606783440.db2.gz XXYFRBHWZUCZAB-SFHVURJKSA-N 1 0 377.452 2.605 20 0 GFADRO CC(C)CN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000820087520 606810950 /nfs/dbraw/zinc/81/09/50/606810950.db2.gz TVEIWUDVKJTLJR-VQIMIIECSA-N 1 0 399.543 2.763 20 0 GFADRO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)Nc2ccc(-c3nn[nH]n3)c(C(F)(F)F)c2)C1 ZINC000820752578 606835949 /nfs/dbraw/zinc/83/59/49/606835949.db2.gz OOQPBXQPEWYEFG-YGRLFVJLSA-N 1 0 397.405 2.736 20 0 GFADRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N(Cc2ccc(-c3nn[nH]n3)cc2)C2CC2)C1 ZINC000820092502 606838390 /nfs/dbraw/zinc/83/83/90/606838390.db2.gz MWISYUAMLFQHNJ-KRWDZBQOSA-N 1 0 397.527 2.519 20 0 GFADRO O[C@H](C[N@@H+](Cc1cccs1)C[C@@H]1CCCO1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823672557 606846432 /nfs/dbraw/zinc/84/64/32/606846432.db2.gz FMPHKCLQSRXCPL-FUHWJXTLSA-N 1 0 385.493 2.643 20 0 GFADRO O[C@@H](C[NH2+]Cc1ccc(F)cc1Br)c1ccc(-c2nn[nH]n2)cc1 ZINC000823690359 606858451 /nfs/dbraw/zinc/85/84/51/606858451.db2.gz NVCNBFWOGGCLOU-HNNXBMFYSA-N 1 0 392.232 2.592 20 0 GFADRO Cc1ccc(N2CC[N@H+](C[C@@H](O)c3ccc(-c4nn[nH]n4)cc3)[C@H](C)C2)cc1C ZINC000822242679 606862602 /nfs/dbraw/zinc/86/26/02/606862602.db2.gz UKBCBJGZNLYEQI-DYESRHJHSA-N 1 0 392.507 2.728 20 0 GFADRO C[C@H]1C[C@@H](Nc2nc3c(cc2-c2nn[nH]n2)CCC3)C[N@@H+]1Cc1ccccc1 ZINC000820668759 606875315 /nfs/dbraw/zinc/87/53/15/606875315.db2.gz VZOUYVZBFCKVKX-WMLDXEAASA-N 1 0 375.480 2.825 20 0 GFADRO CC[N@H+](CCCOc1cccc(-c2nn[nH]n2)c1)C[C@H](O)c1ccc(C)cc1 ZINC000821214064 606905575 /nfs/dbraw/zinc/90/55/75/606905575.db2.gz GVQIDJUZGFPJRW-FQEVSTJZSA-N 1 0 381.480 3.000 20 0 GFADRO CC(C)[C@@H](CNc1ccc(C(F)(F)F)cc1-c1nn[nH]n1)[NH+]1CCN(C)CC1 ZINC000820021785 606918118 /nfs/dbraw/zinc/91/81/18/606918118.db2.gz YOQAYDBWPUKEOU-MRXNPFEDSA-N 1 0 397.449 2.569 20 0 GFADRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(CCCOc2cccc(-c3nn[nH]n3)c2)C1 ZINC000820686764 606924852 /nfs/dbraw/zinc/92/48/52/606924852.db2.gz ZWPDKKZWGWBVDG-LMMKCTJWSA-N 1 0 384.528 2.973 20 0 GFADRO O[C@@H](C[NH2+]C1(c2ccc(Cl)cc2)CCOCC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823681265 606926106 /nfs/dbraw/zinc/92/61/06/606926106.db2.gz COPJOEHBBSKGHN-SFHVURJKSA-N 1 0 399.882 2.849 20 0 GFADRO CCc1nnc(N2CCC[C@H](C[NH+]3CCCCCC3)C2)c(-c2nn[nH]n2)c1CC ZINC000821523234 606930623 /nfs/dbraw/zinc/93/06/23/606930623.db2.gz RYYFRIIWUDCCGZ-MRXNPFEDSA-N 1 0 398.559 2.874 20 0 GFADRO C[N@@H+]1CCC[C@H]2CN(c3c(-c4nn[nH]n4)cnc4ccc(Cl)cc43)CC[C@H]21 ZINC000821625390 607030736 /nfs/dbraw/zinc/03/07/36/607030736.db2.gz MJKBLULVVONOTH-YVEFUNNKSA-N 1 0 383.887 2.989 20 0 GFADRO COc1ccc([C@H](C)[NH2+]C2CCN(c3ccc(-c4nn[nH]n4)cn3)CC2)c(F)c1 ZINC000821777796 607046823 /nfs/dbraw/zinc/04/68/23/607046823.db2.gz MJTQXYTYGRVNMK-ZDUSSCGKSA-N 1 0 397.458 2.729 20 0 GFADRO Cc1nc2c(s1)[C@@H]([NH2+]C1CCN(c3ccc(-c4nn[nH]n4)cn3)CC1)CCC2 ZINC000822459563 607049058 /nfs/dbraw/zinc/04/90/58/607049058.db2.gz SIVHHBNNEPPCSZ-INIZCTEOSA-N 1 0 396.524 2.663 20 0 GFADRO CC[NH+](CC)[C@H](C(=O)Nc1cc(-c2nn[nH]n2)ccc1OC)c1ccccc1 ZINC000821175907 607087591 /nfs/dbraw/zinc/08/75/91/607087591.db2.gz ZEGXMYJFQQZHJJ-SFHVURJKSA-N 1 0 380.452 2.897 20 0 GFADRO CC[C@@H](Cc1ccccc1)[N@H+](CC)CC(=O)NCc1cccc(-c2nn[nH]n2)c1 ZINC000820913307 607090898 /nfs/dbraw/zinc/09/08/98/607090898.db2.gz FHBSELMSRKPJCV-FQEVSTJZSA-N 1 0 392.507 2.826 20 0 GFADRO C[C@@H](NC(=O)N1CC[NH+](C2CCCCC2)CC1)c1cccc(-c2nn[nH]n2)c1 ZINC000820348826 607108106 /nfs/dbraw/zinc/10/81/06/607108106.db2.gz GBAKJYNHBGVLFI-OAHLLOKOSA-N 1 0 383.500 2.588 20 0 GFADRO CC1(c2ccccc2)CCC([NH2+][C@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000820634400 607129709 /nfs/dbraw/zinc/12/97/09/607129709.db2.gz HSPZSWOQVFPRCK-LVIWNVNYSA-N 1 0 390.491 2.883 20 0 GFADRO C[C@@H](C(=O)Nc1ccccc1-c1nn[nH]n1)[N@@H+]1CCC[C@H](Nc2ccccc2)C1 ZINC000819875668 607177342 /nfs/dbraw/zinc/17/73/42/607177342.db2.gz BFQHDLGJIAUNQD-RDJZCZTQSA-N 1 0 391.479 2.770 20 0 GFADRO CC[C@H](CSc1ccccc1)[NH2+][C@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000825128267 607784555 /nfs/dbraw/zinc/78/45/55/607784555.db2.gz SIDUWKAKXGIMOH-WBVHZDCISA-N 1 0 382.493 2.554 20 0 GFADRO C[C@@H]1CC[N@H+](CCS(=O)(=O)c2cccc(-c3nn[nH]n3)c2)[C@H]2CCCC[C@@H]12 ZINC000824952816 607815388 /nfs/dbraw/zinc/81/53/88/607815388.db2.gz BHFADKLCNNSHAR-JLSDUUJJSA-N 1 0 389.525 2.541 20 0 GFADRO CC(C)C[C@@H]1CCCCC[N@@H+]1CCS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000824243522 607828684 /nfs/dbraw/zinc/82/86/84/607828684.db2.gz IEOCFDUFFYQUMC-KRWDZBQOSA-N 1 0 391.541 2.931 20 0 GFADRO C[C@H](NC(=O)c1c(Cl)cc(-c2nn[nH]n2)cc1Cl)C(C)(C)C[NH+](C)C ZINC000824505664 608015463 /nfs/dbraw/zinc/01/54/63/608015463.db2.gz GNUCXJMQQVYNIC-VIFPVBQESA-N 1 0 385.299 2.880 20 0 GFADRO CCC(C)(C)c1ccc(C(=O)Nc2n[nH]c(CCC[NH2+]C)c2-c2nn[nH]n2)cc1 ZINC000825042883 608021865 /nfs/dbraw/zinc/02/18/65/608021865.db2.gz AWOUXSXIKJPFSY-UHFFFAOYSA-N 1 0 396.499 2.682 20 0 GFADRO C[N@H+](CCC(=O)Nc1sc2c(c1-c1nn[nH]n1)CCCC2)[C@H]1CCSC1 ZINC000825915289 608033837 /nfs/dbraw/zinc/03/38/37/608033837.db2.gz WTFGSGQOJKJVLA-NSHDSACASA-N 1 0 392.554 2.573 20 0 GFADRO COc1ccc([C@](C)(O)[C@H]2CCC[N@@H+]2Cc2ccc(-c3nn[nH]n3)cc2F)cc1 ZINC000826188035 608064481 /nfs/dbraw/zinc/06/44/81/608064481.db2.gz LZXSPRCQENQHIP-CTNGQTDRSA-N 1 0 397.454 2.887 20 0 GFADRO Cc1ccc([C@H]2CC[N@@H+]([C@H]3CCN(c4sccc4-c4nn[nH]n4)C3=O)C2)cc1 ZINC000826285802 608126850 /nfs/dbraw/zinc/12/68/50/608126850.db2.gz KGEPRIZRIDEHHZ-RDJZCZTQSA-N 1 0 394.504 2.831 20 0 GFADRO Cc1cc(C)cc([C@@H]2CC[N@H+](CC(=O)NCc3cccc(-c4nn[nH]n4)c3)C2)c1 ZINC000826264065 608128413 /nfs/dbraw/zinc/12/84/13/608128413.db2.gz ARNOAABJLSHKBN-LJQANCHMSA-N 1 0 390.491 2.589 20 0 GFADRO CC(C)c1cnc(C[NH2+]C2CCN(c3ccc(-c4nn[nH]n4)cn3)CC2)s1 ZINC000824352355 608130325 /nfs/dbraw/zinc/13/03/25/608130325.db2.gz ATZPMSCASCMHKE-UHFFFAOYSA-N 1 0 384.513 2.600 20 0 GFADRO O=C(N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12)c1cccc(-c2nn[nH]n2)c1 ZINC000826430071 608134943 /nfs/dbraw/zinc/13/49/43/608134943.db2.gz SREAMRWRYSEBKR-HSALFYBXSA-N 1 0 388.475 2.507 20 0 GFADRO COc1ccc(C[NH2+][C@@H](C)CC(=O)Nc2ccccc2C)cc1-c1nn[nH]n1 ZINC000826201894 608286439 /nfs/dbraw/zinc/28/64/39/608286439.db2.gz HVLXLEBFMNUOOK-AWEZNQCLSA-N 1 0 380.452 2.691 20 0 GFADRO Cc1scc(C(=O)N2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)c1C ZINC000826350457 608292280 /nfs/dbraw/zinc/29/22/80/608292280.db2.gz WYLNTBHGVLIENG-UHFFFAOYSA-N 1 0 396.520 2.893 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)Cc2c(-c3nn[nH]n3)c(C)nn2-c2ccccc2)C[C@@H]1C ZINC000825453844 608314303 /nfs/dbraw/zinc/31/43/03/608314303.db2.gz XAGGURYLUGPMPF-YJBOKZPZSA-N 1 0 394.527 2.665 20 0 GFADRO COc1cc(-c2nn[nH]n2)ccc1CNC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000826169800 608316189 /nfs/dbraw/zinc/31/61/89/608316189.db2.gz FRWCJMQTSQTYEJ-UHFFFAOYSA-N 1 0 380.496 2.876 20 0 GFADRO CC[C@@H](CSC)[N@H+](C)CCC(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2 ZINC000825127908 608324799 /nfs/dbraw/zinc/32/47/99/608324799.db2.gz PPRHYLRLIYSROE-NSHDSACASA-N 1 0 394.570 2.819 20 0 GFADRO CC[N@H+](Cc1ccc(C(=O)N(C)C)cc1)Cc1ccc(-c2nn[nH]n2)cc1OC ZINC000825435062 608357742 /nfs/dbraw/zinc/35/77/42/608357742.db2.gz KXPLTMQVGCZPLR-UHFFFAOYSA-N 1 0 394.479 2.599 20 0 GFADRO Fc1ccc(F)c2c1ncc(-c1nn[nH]n1)c2N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000826375383 608370307 /nfs/dbraw/zinc/37/03/07/608370307.db2.gz LOMYUWATJBFQPC-GFCCVEGCSA-N 1 0 385.422 2.758 20 0 GFADRO CCC[N@@H+]1CC[C@@H](CNc2c(-c3nn[nH]n3)cnc3c(F)ccc(Cl)c32)C1 ZINC000825328865 608374147 /nfs/dbraw/zinc/37/41/47/608374147.db2.gz XWFYGJXKCAAMJS-NSHDSACASA-N 1 0 389.866 2.773 20 0 GFADRO CC(C)(C)OC(=O)NC[C@@H]1CCC[N@H+](Cc2cccc(-c3nn[nH]n3)c2F)C1 ZINC000824108701 608387400 /nfs/dbraw/zinc/38/74/00/608387400.db2.gz JJJNNAOGCSBGFF-ZDUSSCGKSA-N 1 0 390.463 2.743 20 0 GFADRO CCCCCCNC(=O)[C@H]1CCC[N@H+](Cc2cccc(-c3nn[nH]n3)c2F)C1 ZINC000825272092 608388268 /nfs/dbraw/zinc/38/82/68/608388268.db2.gz UHFQBLMACGEQCY-INIZCTEOSA-N 1 0 388.491 2.914 20 0 GFADRO C[C@@H]([NH2+]CC(=O)Nc1cccc(-c2nn[nH]n2)c1)c1cccc(OC(F)F)c1 ZINC000824564125 608442704 /nfs/dbraw/zinc/44/27/04/608442704.db2.gz RYEZZZRLMNHKJZ-LLVKDONJSA-N 1 0 388.378 2.757 20 0 GFADRO CCOc1ccccc1[C@@H](CC)[NH2+]C[C@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000825654140 608458278 /nfs/dbraw/zinc/45/82/78/608458278.db2.gz PKPUFSJLOAIBEL-QFBILLFUSA-N 1 0 397.479 2.746 20 0 GFADRO CSc1ccc(CN(C)C(=O)C[NH2+][C@H](C)c2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000826230756 608460326 /nfs/dbraw/zinc/46/03/26/608460326.db2.gz IXTONEKYQZCHRN-CQSZACIVSA-N 1 0 396.520 2.898 20 0 GFADRO C[C@H]([NH2+]CC(=O)Nc1nc2ccccc2s1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824562077 608462304 /nfs/dbraw/zinc/46/23/04/608462304.db2.gz CQJALMVYBGJXDJ-NSHDSACASA-N 1 0 379.449 2.766 20 0 GFADRO CC(=O)c1ccccc1NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000824029098 608468378 /nfs/dbraw/zinc/46/83/78/608468378.db2.gz CTKQOHUTYQDTIT-QWHCGFSZSA-N 1 0 378.436 2.747 20 0 GFADRO C[C@H]([NH2+]CCOc1ccccc1-c1nn[nH]n1)c1cccc(N2CCOC2=O)c1 ZINC000824599747 608474403 /nfs/dbraw/zinc/47/44/03/608474403.db2.gz RLVZFVJHGIPJCK-AWEZNQCLSA-N 1 0 394.435 2.553 20 0 GFADRO COc1cc(-c2nn[nH]n2)ccc1C[NH2+][C@H](C)c1cccc(N2CCOC2=O)c1 ZINC000826169855 608475344 /nfs/dbraw/zinc/47/53/44/608475344.db2.gz HSEPHRXILSSAII-CYBMUJFWSA-N 1 0 394.435 2.683 20 0 GFADRO Cc1cc(C)c(CCNC(=O)C[NH2+][C@H](C)c2cccc(-c3nn[nH]n3)c2)c(C)c1 ZINC000826262989 608483858 /nfs/dbraw/zinc/48/38/58/608483858.db2.gz GWGNGYHXTYQCKB-QGZVFWFLSA-N 1 0 392.507 2.801 20 0 GFADRO C[C@H]([NH2+]C[C@@H](O)CO[C@@H]1CCCc2ccccc21)c1cccc(-c2nn[nH]n2)c1 ZINC000824571709 608491974 /nfs/dbraw/zinc/49/19/74/608491974.db2.gz RGKGLYHDAOXUKM-NYSBEXSLSA-N 1 0 393.491 2.972 20 0 GFADRO O=C(c1ccco1)N1CCC([NH2+][C@@H]2CCCc3cc(-c4nn[nH]n4)ccc32)CC1 ZINC000826475148 608499457 /nfs/dbraw/zinc/49/94/57/608499457.db2.gz UWOXANMOUAOPBO-GOSISDBHSA-N 1 0 392.463 2.732 20 0 GFADRO OC[C@H](C[NH2+][C@@H]1CCCc2cc(-c3nn[nH]n3)ccc21)Cc1ccc(F)cc1 ZINC000826507516 608504806 /nfs/dbraw/zinc/50/48/06/608504806.db2.gz QBKVUPCOEHUOBX-MGPUTAFESA-N 1 0 381.455 2.824 20 0 GFADRO COc1cccc2c1OC[C@@H]([NH2+][C@@H]1CCCc3cc(-c4nn[nH]n4)ccc31)C2 ZINC000826217781 608507813 /nfs/dbraw/zinc/50/78/13/608507813.db2.gz BVJNBHXRTUSQSD-FUHWJXTLSA-N 1 0 377.448 2.846 20 0 GFADRO COc1cc(OC)cc([C@@H](O)C[NH2+][C@@H]2CCCc3cc(-c4nn[nH]n4)ccc32)c1 ZINC000826181017 608512587 /nfs/dbraw/zinc/51/25/87/608512587.db2.gz IEHIICLIAYXFPI-UXHICEINSA-N 1 0 395.463 2.585 20 0 GFADRO O=C(NCCC[NH2+][C@@H]1CCCc2cc(-c3nn[nH]n3)ccc21)c1ccc(F)cc1 ZINC000826437028 608520880 /nfs/dbraw/zinc/52/08/80/608520880.db2.gz SWMFURZQNGQHLX-LJQANCHMSA-N 1 0 394.454 2.793 20 0 GFADRO C[C@@H](CNC(=O)OC(C)(C)C)C[NH2+][C@H]1CCCc2cc(-c3nn[nH]n3)ccc21 ZINC000824421394 608524469 /nfs/dbraw/zinc/52/44/69/608524469.db2.gz SUYGFWLCHSKRRO-DYVFJYSZSA-N 1 0 386.500 2.995 20 0 GFADRO CSc1ccc(NC(=O)C[NH2+]C2(c3cccc(-c4nn[nH]n4)c3)CC2)cc1 ZINC000826230831 608532021 /nfs/dbraw/zinc/53/20/21/608532021.db2.gz LLZXJIDAOOPGFK-UHFFFAOYSA-N 1 0 380.477 2.806 20 0 GFADRO CCc1ccc(C(C)(C)[NH2+]CCS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000825705131 608538333 /nfs/dbraw/zinc/53/83/33/608538333.db2.gz WOGMVAXYXRQXSL-UHFFFAOYSA-N 1 0 399.520 2.728 20 0 GFADRO COc1cccc(F)c1[C@H](C)[NH2+]CCC(=O)Nc1sccc1-c1nn[nH]n1 ZINC000826216696 608538931 /nfs/dbraw/zinc/53/89/31/608538931.db2.gz KCDORFPPGCKURK-JTQLQIEISA-N 1 0 390.444 2.755 20 0 GFADRO CC[N@H+](Cc1cnc(N2CCCC2)nc1)[C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000825444773 608550890 /nfs/dbraw/zinc/55/08/90/608550890.db2.gz QRTYTLSQFZKKQF-OAHLLOKOSA-N 1 0 378.484 2.840 20 0 GFADRO COC[C@@H]([NH2+]CCCOc1ccc(-c2nn[nH]n2)cc1)c1ccc(F)c(F)c1 ZINC000826151378 608552271 /nfs/dbraw/zinc/55/22/71/608552271.db2.gz ZVIOXXQXPUNNHF-GOSISDBHSA-N 1 0 389.406 2.891 20 0 GFADRO CN1C(=O)C[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)[C@@H]1c1ccc(Cl)cc1 ZINC000826010952 608568618 /nfs/dbraw/zinc/56/86/18/608568618.db2.gz RJGMYKKKFGPDTP-AEFFLSMTSA-N 1 0 382.855 2.582 20 0 GFADRO O[C@@H](C[NH2+]C(C1CCCC1)C1CCCC1)COc1ccc(-c2nn[nH]n2)cc1 ZINC000826502633 608578895 /nfs/dbraw/zinc/57/88/95/608578895.db2.gz HMHDWQIYFCRENK-SFHVURJKSA-N 1 0 385.512 2.945 20 0 GFADRO Fc1cccc(N2CC[NH+](Cc3nccc4ccccc43)CC2)c1-c1nn[nH]n1 ZINC000826377064 608596432 /nfs/dbraw/zinc/59/64/32/608596432.db2.gz CQPOAQWWTHKJPI-UHFFFAOYSA-N 1 0 389.438 2.876 20 0 GFADRO Cc1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3cccc(-c4nn[nH]n4)c3F)C2)nc1 ZINC000826290690 608651918 /nfs/dbraw/zinc/65/19/18/608651918.db2.gz VMEWVVCNFRCEDH-HNNXBMFYSA-N 1 0 395.442 2.560 20 0 GFADRO CN(C(=O)OC(C)(C)C)C1CC[NH+](Cc2ccc(-c3nn[nH]n3)s2)CC1 ZINC000825826000 608693602 /nfs/dbraw/zinc/69/36/02/608693602.db2.gz RFMHMNAARLDKLG-UHFFFAOYSA-N 1 0 378.502 2.760 20 0 GFADRO c1nc2ccc(-c3nn[nH]n3)cn2c1C[N@@H+]1CCS[C@H](c2ccccc2)C1 ZINC000826520610 608706400 /nfs/dbraw/zinc/70/64/00/608706400.db2.gz OBVSMHSDTCTDST-KRWDZBQOSA-N 1 0 377.477 2.805 20 0 GFADRO O=C(C[C@@H]1CCC[N@@H+]1Cc1cnc2ccc(-c3nn[nH]n3)cn12)c1ccccc1 ZINC000826404954 608728702 /nfs/dbraw/zinc/72/87/02/608728702.db2.gz RAJWEWRTNCYDTM-KRWDZBQOSA-N 1 0 387.447 2.752 20 0 GFADRO Fc1ccc2ccnc(N3CC[NH+](Cc4ccc(-c5nn[nH]n5)cc4)CC3)c2c1 ZINC000826375822 608770031 /nfs/dbraw/zinc/77/00/31/608770031.db2.gz CWBTUPWUWFYDSQ-UHFFFAOYSA-N 1 0 389.438 2.876 20 0 GFADRO CC[C@H](C)[C@H]1CN(Cc2ccc(C)nc2)CC[N@@H+]1Cc1ccc(-c2nn[nH]n2)o1 ZINC000825060815 608838739 /nfs/dbraw/zinc/83/87/39/608838739.db2.gz TUAXQYXLTVJACZ-HNAYVOBHSA-N 1 0 395.511 2.896 20 0 GFADRO C[C@H]([NH2+][C@H]1CC(=O)N(c2c(F)cccc2F)C1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824537428 608884083 /nfs/dbraw/zinc/88/40/83/608884083.db2.gz DZHMEANZVLYCBS-FZMZJTMJSA-N 1 0 384.390 2.601 20 0 GFADRO C[C@@H]([NH2+]CCCS(=O)(=O)c1ccccc1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824591606 609136777 /nfs/dbraw/zinc/13/67/77/609136777.db2.gz JDRXBQWLAHPTQN-CYBMUJFWSA-N 1 0 389.456 2.520 20 0 GFADRO Cc1cccc(C)c1OC[C@H](O)C[NH2+][C@H](C)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000826297187 609137285 /nfs/dbraw/zinc/13/72/85/609137285.db2.gz YILCHZVGIBNONU-GDBMZVCRSA-N 1 0 385.443 2.713 20 0 GFADRO C[C@H]([NH2+]Cc1cccc(C(=O)NC2CC2)c1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824617050 609138509 /nfs/dbraw/zinc/13/85/09/609138509.db2.gz CHDAZDAVGXXUHL-LBPRGKRZSA-N 1 0 380.427 2.749 20 0 GFADRO CC(C)(C)CC(=O)N1CCC([NH2+]C2(c3cccc(-c4nn[nH]n4)c3)CC2)CC1 ZINC000824077296 609251158 /nfs/dbraw/zinc/25/11/58/609251158.db2.gz AKPUPOFVNGELOW-UHFFFAOYSA-N 1 0 382.512 2.873 20 0 GFADRO Cc1nn(-c2ccccc2)c(C[N@@H+]2CCC[C@@H]2C2CCOCC2)c1-c1nn[nH]n1 ZINC000826332360 609283452 /nfs/dbraw/zinc/28/34/52/609283452.db2.gz REZWNZGTTFGODE-GOSISDBHSA-N 1 0 393.495 2.752 20 0 GFADRO Cc1ccc([C@@H](CNC(=O)c2ccc(Cl)c(-c3nn[nH]n3)c2)[NH+](C)C)cc1 ZINC000826283860 609290263 /nfs/dbraw/zinc/29/02/63/609290263.db2.gz CTPRVSTVXVPMCK-QGZVFWFLSA-N 1 0 384.871 2.861 20 0 GFADRO C[C@H](NC(=O)N(C)Cc1ccc(-c2nn[nH]n2)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000824488677 609317350 /nfs/dbraw/zinc/31/73/50/609317350.db2.gz HDIHOFVRLIELEK-YJBOKZPZSA-N 1 0 397.527 2.661 20 0 GFADRO CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccccc2Oc2ccccc2-c2nn[nH]n2)C1 ZINC000825443480 609327015 /nfs/dbraw/zinc/32/70/15/609327015.db2.gz CNEXWCNJJZQWEX-RHSMWYFYSA-N 1 0 392.463 2.729 20 0 GFADRO C[C@H]([NH2+]CCCN(C)C(=O)OC(C)(C)C)c1ccc(-c2nn[nH]n2)cc1F ZINC000824585273 609333523 /nfs/dbraw/zinc/33/35/23/609333523.db2.gz PAZCITUKPBAFBS-LBPRGKRZSA-N 1 0 378.452 2.913 20 0 GFADRO C[C@H]([NH2+][C@@H](CO)Cc1c[nH]c2ccccc12)c1ccc(-c2nn[nH]n2)cc1F ZINC000824529065 609335545 /nfs/dbraw/zinc/33/55/45/609335545.db2.gz DHHHZDOPGZCLRV-SWLSCSKDSA-N 1 0 380.427 2.741 20 0 GFADRO C[C@H]1CCCC[C@@H]1OCC[NH2+]Cc1cn(C)nc1-c1ccc(-c2nn[nH]n2)cc1 ZINC000824935424 609336780 /nfs/dbraw/zinc/33/67/80/609336780.db2.gz AZNGTYDONVBHEA-KXBFYZLASA-N 1 0 395.511 2.952 20 0 GFADRO CC(C)CC[C@@](C)(O)C[NH2+]Cc1cn(C)nc1-c1ccc(-c2nn[nH]n2)cc1 ZINC000824243515 609339841 /nfs/dbraw/zinc/33/98/41/609339841.db2.gz HYWQEZOAMYTJQD-HXUWFJFHSA-N 1 0 383.500 2.544 20 0 GFADRO C[C@H](CNC(=O)OC(C)(C)C)C[NH2+][C@H](C)c1ccc(-c2nn[nH]n2)cc1F ZINC000824420373 609343132 /nfs/dbraw/zinc/34/31/32/609343132.db2.gz IRLKIISIKYONPP-NWDGAFQWSA-N 1 0 378.452 2.817 20 0 GFADRO C[C@H]([NH2+]C[C@H]1CC(=O)N(Cc2ccccc2)C1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824578765 609345271 /nfs/dbraw/zinc/34/52/71/609345271.db2.gz VULFTYNITIJKAZ-GOEBONIOSA-N 1 0 394.454 2.705 20 0 GFADRO Cc1cc(N2CCC[C@H]([NH2+][C@@H](C)c3ccc(-c4nn[nH]n4)cc3F)C2)nc(C)n1 ZINC000826269153 609348583 /nfs/dbraw/zinc/34/85/83/609348583.db2.gz BWJAVALZQFGPMR-BBRMVZONSA-N 1 0 396.474 2.732 20 0 GFADRO COC(=O)C1=C(C)O[C@@H](C[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC(C)C)C1 ZINC000826129732 609360240 /nfs/dbraw/zinc/36/02/40/609360240.db2.gz ZDOIWAADRNKSSP-QGZVFWFLSA-N 1 0 385.468 2.561 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CN(C)Cc1ccc(-c2nn[nH]n2)cc1Br ZINC000825453736 609364624 /nfs/dbraw/zinc/36/46/24/609364624.db2.gz WPATVNWMHZMBTG-CQSZACIVSA-N 1 0 379.306 2.545 20 0 GFADRO O[C@@]12CCCC[C@H]1C[N@H+](Cc1ccc(-c3nn[nH]n3)cc1Br)CC2 ZINC000826506527 609365156 /nfs/dbraw/zinc/36/51/56/609365156.db2.gz WKPKVCURHKWOCE-WMLDXEAASA-N 1 0 392.301 2.756 20 0 GFADRO C[C@@H]1CN(C(=O)c2ccccc2Oc2ccccc2-c2nn[nH]n2)C[C@H]1[NH+](C)C ZINC000824976278 609385823 /nfs/dbraw/zinc/38/58/23/609385823.db2.gz OBBFVTWFDVBNNE-RHSMWYFYSA-N 1 0 392.463 2.681 20 0 GFADRO COc1ccc([C@@H](C)[NH2+][C@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)cc1 ZINC000826187993 609415203 /nfs/dbraw/zinc/41/52/03/609415203.db2.gz KISVMMGASIFTJU-KUHUBIRLSA-N 1 0 392.463 2.722 20 0 GFADRO Cc1ccc2c(c1)[C@@H]([NH2+][C@H]1CCCN(c3ccc(-c4nn[nH]n4)cc3)C1=O)CC2 ZINC000826294424 609415231 /nfs/dbraw/zinc/41/52/31/609415231.db2.gz QXWRIFWGMWAGKS-PMACEKPBSA-N 1 0 388.475 2.948 20 0 GFADRO O=C1[C@@H]([NH2+][C@@H]2CCc3ccc(F)cc32)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826477137 609415839 /nfs/dbraw/zinc/41/58/39/609415839.db2.gz WKGILTPIUIDFPM-MOPGFXCFSA-N 1 0 392.438 2.778 20 0 GFADRO C[C@@H]([NH2+]CCOc1ccccc1-c1nn[nH]n1)c1cccc(-n2ccnc2)c1 ZINC000824599980 609441322 /nfs/dbraw/zinc/44/13/22/609441322.db2.gz VGZZPUQYXDRHAU-OAHLLOKOSA-N 1 0 375.436 2.782 20 0 GFADRO Fc1cc(-c2nn[nH]n2)ccc1C[NH2+]CCNc1cccc(Br)c1 ZINC000826371803 609446952 /nfs/dbraw/zinc/44/69/52/609446952.db2.gz UXPZITCRKVXCNQ-UHFFFAOYSA-N 1 0 391.248 2.970 20 0 GFADRO Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)n1C[N@H+]1C[C@H](C)[C@H]2CCCC[C@@H]21 ZINC000826334926 609462112 /nfs/dbraw/zinc/46/21/12/609462112.db2.gz PKLHOSGHZVMJLQ-VHSSKADRSA-N 1 0 378.484 2.902 20 0 GFADRO O=C([C@H]1CC12CC[NH+](Cc1cc(-c3nn[nH]n3)cs1)CC2)N1CCCCC1 ZINC000826398117 609493800 /nfs/dbraw/zinc/49/38/00/609493800.db2.gz QNRZAFYNBDBXME-MRXNPFEDSA-N 1 0 386.525 2.543 20 0 GFADRO Fc1cccc(CCN2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)c1F ZINC000826376913 609513499 /nfs/dbraw/zinc/51/34/99/609513499.db2.gz YBDPOVGDKWHLOY-UHFFFAOYSA-N 1 0 398.461 2.895 20 0 GFADRO c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H](Nc4ccc(-c5nn[nH]n5)cn4)[C@@H]3C2)cc1 ZINC000826521610 609595391 /nfs/dbraw/zinc/59/53/91/609595391.db2.gz SBANAEKWTRJPKA-OTWHNJEPSA-N 1 0 375.480 2.974 20 0 GFADRO c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H](Nc4cnccc4-c4nn[nH]n4)[C@@H]3C2)cc1 ZINC000826521516 609595545 /nfs/dbraw/zinc/59/55/45/609595545.db2.gz PVUIUOGLGQFSIO-UHOSZYNNSA-N 1 0 375.480 2.974 20 0 GFADRO CC[NH+](CC)CC(=O)Nc1cc(-c2ccc(I)cc2)[nH]n1 ZINC000507011850 650453110 /nfs/dbraw/zinc/45/31/10/650453110.db2.gz AOHZNINXKMFFLS-UHFFFAOYSA-N 1 0 398.248 2.962 20 0 GFADRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)Nc1ccccc1SC(F)(F)F ZINC000817402103 660194205 /nfs/dbraw/zinc/19/42/05/660194205.db2.gz QFERJTWQYMKXAG-LLVKDONJSA-N 1 0 375.416 2.790 20 0 GFADRO CC[NH+]1CCC(N2CCCN(C(=S)Nc3ccc(Cl)nc3)CC2)CC1 ZINC000817567890 660200768 /nfs/dbraw/zinc/20/07/68/660200768.db2.gz WNCKDELQXRKWRM-UHFFFAOYSA-N 1 0 381.977 2.924 20 0 GFADRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)c1ccnc(Cl)c1I ZINC000817677838 660205405 /nfs/dbraw/zinc/20/54/05/660205405.db2.gz HOGPYLLSOAORDD-VIFPVBQESA-N 1 0 393.656 2.506 20 0 GFADRO O=C(NC[C@@H](O)c1ccc(Cl)cc1Cl)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000817935528 660212170 /nfs/dbraw/zinc/21/21/70/660212170.db2.gz IBJIJNWHDNJQFE-CZUORRHYSA-N 1 0 383.279 2.578 20 0 GFADRO C[C@@H]1C[C@H](C)N(C(=O)/C=C\c2ccc(I)o2)C[C@H]1C[NH3+] ZINC000818021646 660214241 /nfs/dbraw/zinc/21/42/41/660214241.db2.gz DAKLFSLBPGCMEG-VQKDAYTNSA-N 1 0 388.249 2.729 20 0 GFADRO Cc1ccc(-n2nc(Br)cc2C(=O)N2CC[C@@](C)(C[NH3+])C2)cc1 ZINC000818593936 660229439 /nfs/dbraw/zinc/22/94/39/660229439.db2.gz UOOCRGHKRWYQKC-KRWDZBQOSA-N 1 0 377.286 2.754 20 0 GFADRO CN(C)S(=O)(=O)c1ccc(C[NH2+]C[C@@H](O)c2ccc(F)cc2Cl)cc1 ZINC000818962697 660238889 /nfs/dbraw/zinc/23/88/89/660238889.db2.gz VRXJHKIRDDICAB-QGZVFWFLSA-N 1 0 386.876 2.553 20 0 GFADRO CC(C)(C)OC(=O)NCC[NH2+]C[C@H](O)COc1cc(Cl)ccc1Cl ZINC000818982695 660241151 /nfs/dbraw/zinc/24/11/51/660241151.db2.gz QCRZYXNWLNGLEM-LBPRGKRZSA-N 1 0 379.284 2.847 20 0 GFADRO CS(=O)(=O)Cc1cccc(C[NH2+]C[C@H](O)c2ccccc2Br)c1 ZINC000818990088 660241892 /nfs/dbraw/zinc/24/18/92/660241892.db2.gz FQUFAIOPVGRZQV-KRWDZBQOSA-N 1 0 398.322 2.817 20 0 GFADRO CC(C)N1C[C@@H]([NH2+]C[C@](C)(O)c2ccc(Br)cc2Cl)CC1=O ZINC000818996473 660242402 /nfs/dbraw/zinc/24/24/02/660242402.db2.gz RFFXEPMSBJXROV-LRDDRELGSA-N 1 0 389.721 2.909 20 0 GFADRO O=C(C[NH2+]C[C@H](O)c1ccccc1Br)N1CCc2ccccc21 ZINC000818999595 660242694 /nfs/dbraw/zinc/24/26/94/660242694.db2.gz SYPGRDSNNUSADY-KRWDZBQOSA-N 1 0 375.266 2.661 20 0 GFADRO COC(=O)N1CCC[C@H]([NH2+]C[C@@](C)(O)c2ccc(Br)cc2F)C1 ZINC000819001879 660242895 /nfs/dbraw/zinc/24/28/95/660242895.db2.gz GAVWBIQEGXCTES-BLLLJJGKSA-N 1 0 389.265 2.616 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S(=O)(=O)CC[NH2+]C[C@H](C)C(C)(C)C ZINC000819075663 660245635 /nfs/dbraw/zinc/24/56/35/660245635.db2.gz OSBATPSCFAFLNL-HNNXBMFYSA-N 1 0 389.583 2.916 20 0 GFADRO CN(C)C(=O)CCN1CCC([NH2+]C[C@@H](O)c2ccc(Cl)cc2Cl)CC1 ZINC000819043102 660244305 /nfs/dbraw/zinc/24/43/05/660244305.db2.gz PGYLBKURFBMFAR-QGZVFWFLSA-N 1 0 388.339 2.559 20 0 GFADRO CC(C)(C)[S@@](=O)CC[NH2+]CCC(=O)Nc1ccc(Br)cc1 ZINC000819055152 660244772 /nfs/dbraw/zinc/24/47/72/660244772.db2.gz CTPPMROTSZFXAK-NRFANRHFSA-N 1 0 375.332 2.915 20 0 GFADRO CC(C)(C)[S@@](=O)CC[NH2+]C[C@@](C)(O)c1ccc(Br)cc1F ZINC000819055533 660244784 /nfs/dbraw/zinc/24/47/84/660244784.db2.gz GLZFMAZQSCSHKQ-VFNWGFHPSA-N 1 0 380.323 2.933 20 0 GFADRO O[C@@H](C[NH2+][C@@H]1CCN(c2ccccc2Br)C1)c1ccc(F)cn1 ZINC000819054939 660244828 /nfs/dbraw/zinc/24/48/28/660244828.db2.gz QFRCVDOWUXWEDA-DYVFJYSZSA-N 1 0 380.261 2.885 20 0 GFADRO CO[C@H](C[NH2+]C[C@@H](O)c1ccc(S(C)(=O)=O)cc1)c1ccc(Cl)cc1 ZINC000819107366 660246768 /nfs/dbraw/zinc/24/67/68/660246768.db2.gz XRPAHLJDOFJFQY-QZTJIDSGSA-N 1 0 383.897 2.754 20 0 GFADRO C[C@@](O)(C[NH2+]Cc1ccc(C(N)=O)o1)c1ccc(Br)cc1Cl ZINC000819128129 660247265 /nfs/dbraw/zinc/24/72/65/660247265.db2.gz FFXJHLFZWCUSKQ-OAHLLOKOSA-N 1 0 387.661 2.792 20 0 GFADRO CC(C)(C)OC(=O)CS(=O)(=O)CC[NH2+]C[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000819140855 660247799 /nfs/dbraw/zinc/24/77/99/660247799.db2.gz FIBDWTMJVSYKCK-CHWSQXEVSA-N 1 0 387.464 2.701 20 0 GFADRO CC(C)(C)OC(=O)N1CCC[C@](O)(C[NH2+]C[C@@H]2CSCCS2)CC1 ZINC000819142626 660247846 /nfs/dbraw/zinc/24/78/46/660247846.db2.gz SBNGPHFHKGRDEQ-RHSMWYFYSA-N 1 0 376.588 2.577 20 0 GFADRO CON(C)C(=O)CC[NH2+]CCOc1ccc(Br)cc1C(F)(F)F ZINC000819198322 660249848 /nfs/dbraw/zinc/24/98/48/660249848.db2.gz RLGWRLONPVPRKD-UHFFFAOYSA-N 1 0 399.207 2.846 20 0 GFADRO CC(C)(C)OC(=O)N1CC(C[NH2+]C[C@H](O)c2cccc(Br)c2)C1 ZINC000819198867 660249863 /nfs/dbraw/zinc/24/98/63/660249863.db2.gz UWFWTUSNQCREIH-HNNXBMFYSA-N 1 0 385.302 2.939 20 0 GFADRO O=C1[C@H]([NH2+]C[C@H](O)c2ccccc2Br)CCCN1c1cccnc1 ZINC000819224516 660250814 /nfs/dbraw/zinc/25/08/14/660250814.db2.gz HGPXSWUISLKZKE-SJORKVTESA-N 1 0 390.281 2.663 20 0 GFADRO COCCS(=O)(=O)c1ccc(C[NH2+]C[C@H](O)c2cccc(Cl)c2)cc1 ZINC000819264392 660252721 /nfs/dbraw/zinc/25/27/21/660252721.db2.gz STSGTMCVPTWPJW-SFHVURJKSA-N 1 0 383.897 2.583 20 0 GFADRO CC(C)[C@@H]([NH2+]C[C@@](C)(O)c1ccc(Br)cc1F)c1nncn1C ZINC000819304524 660254291 /nfs/dbraw/zinc/25/42/91/660254291.db2.gz WYXBSSXWFUGFEF-GDBMZVCRSA-N 1 0 385.281 2.911 20 0 GFADRO COCCOC1(C[NH2+]C[C@@H](O)c2ccc(Cl)cc2Cl)CCOCC1 ZINC000819339905 660255758 /nfs/dbraw/zinc/25/57/58/660255758.db2.gz PUHBOFSXCVLEGK-MRXNPFEDSA-N 1 0 378.296 2.829 20 0 GFADRO Cn1nccc1[C@@H]1C[C@H]([NH2+]C[C@H](O)c2ccc(F)c(Br)c2)CCO1 ZINC000819352688 660256403 /nfs/dbraw/zinc/25/64/03/660256403.db2.gz JHDSSEJDMGZNLE-DQYPLSBCSA-N 1 0 398.276 2.865 20 0 GFADRO CS(=O)(=O)c1ccc(C[NH2+]C[C@H](O)c2ccc(Br)cc2)s1 ZINC000819255787 660252072 /nfs/dbraw/zinc/25/20/72/660252072.db2.gz DFBIJVZPJAWDJR-ZDUSSCGKSA-N 1 0 390.324 2.737 20 0 GFADRO CCCN1C[C@@H](C[NH2+]C[C@](C)(O)c2ccc(Br)cc2F)CC1=O ZINC000819376099 660257333 /nfs/dbraw/zinc/25/73/33/660257333.db2.gz WOLUQFQPWRSEFB-PXAZEXFGSA-N 1 0 387.293 2.644 20 0 GFADRO CC(C)(C)[N@@H+]1CCc2nc(NC(=O)CSc3cccc[n+]3[O-])sc2C1 ZINC000819677560 660266656 /nfs/dbraw/zinc/26/66/56/660266656.db2.gz BCVCJYHMXSXNRC-UHFFFAOYSA-N 1 0 378.523 2.664 20 0 GFADRO COCC(C)(C)[NH+]1CCN(Cn2ncc3c2cccc3Br)CC1 ZINC000819896182 660272849 /nfs/dbraw/zinc/27/28/49/660272849.db2.gz XTNUYELQZUVZCK-UHFFFAOYSA-N 1 0 381.318 2.799 20 0 GFADRO C[C@@H]1C[NH+](CCCNC(=O)c2c(Cl)nc3cc(Cl)ccn32)C[C@@H](C)O1 ZINC000820217859 660285412 /nfs/dbraw/zinc/28/54/12/660285412.db2.gz VBZOYFNXHBWCFI-VXGBXAGGSA-N 1 0 385.295 2.870 20 0 GFADRO C[NH+](C)CCn1ccc(NC(=O)NC[C@H](O)c2ccc(Cl)c(Cl)c2)n1 ZINC000821340772 660322197 /nfs/dbraw/zinc/32/21/97/660322197.db2.gz DBZNJYNMJFEOLB-AWEZNQCLSA-N 1 0 386.283 2.607 20 0 GFADRO COc1cccc([C@H](CNC(=O)Nc2cc(Br)nn2C)[NH+](C)C)c1 ZINC000821466202 660326824 /nfs/dbraw/zinc/32/68/24/660326824.db2.gz HRISBGPQQAFZQZ-ZDUSSCGKSA-N 1 0 396.289 2.616 20 0 GFADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)Nc1cc(Br)nn1C ZINC000821467423 660326854 /nfs/dbraw/zinc/32/68/54/660326854.db2.gz YQMKOCGMXDLCCW-OCCSQVGLSA-N 1 0 392.301 2.825 20 0 GFADRO C[C@@]1(C(=O)NCC[NH+]2CCCCCC2)CC1(Br)Br ZINC000821546500 660328836 /nfs/dbraw/zinc/32/88/36/660328836.db2.gz GVGOYMPKUFQQIX-LBPRGKRZSA-N 1 0 382.140 2.875 20 0 GFADRO CN1CC[NH+](CCCCNC(=O)c2cc(Cl)nc(C(F)(F)F)c2)CC1 ZINC000821843970 660335172 /nfs/dbraw/zinc/33/51/72/660335172.db2.gz XLXWJCPZWLVXNO-UHFFFAOYSA-N 1 0 378.826 2.511 20 0 GFADRO C[NH+](C)C1(CNC(=O)[C@]2(C)CC2(Br)Br)CCCC1 ZINC000822316534 660342864 /nfs/dbraw/zinc/34/28/64/660342864.db2.gz GOHAEMKNNMZQAQ-NSHDSACASA-N 1 0 382.140 2.873 20 0 GFADRO C[N@@H+]1CCC[C@@H](CCNC(=O)[C@@](C)(O)c2ccc(F)c(Br)c2)C1 ZINC000822453329 660345787 /nfs/dbraw/zinc/34/57/87/660345787.db2.gz JCCJMNIQSMTMHA-SJCJKPOMSA-N 1 0 387.293 2.644 20 0 GFADRO C[N@@H+]1CCC[C@H](CCNC(=O)C[C@@H]2C(=O)Nc3ccc(Br)cc32)C1 ZINC000822454956 660345819 /nfs/dbraw/zinc/34/58/19/660345819.db2.gz XTMXQKIZIFVYRY-DOMZBBRYSA-N 1 0 394.313 2.723 20 0 GFADRO Cc1cc(NC(=O)N[C@@H](C)CN(C)CCC[NH+](C)C)cnc1Br ZINC000822493564 660346793 /nfs/dbraw/zinc/34/67/93/660346793.db2.gz YGXYXWMIIXDBJJ-ZDUSSCGKSA-N 1 0 386.338 2.546 20 0 GFADRO CCn1ncc(C(=O)N[C@H](C[NH+](C)C)c2ccc(OC)cc2)c1Br ZINC000822803188 660354772 /nfs/dbraw/zinc/35/47/72/660354772.db2.gz DAMAAWBHYXBDFJ-OAHLLOKOSA-N 1 0 395.301 2.707 20 0 GFADRO O=C(CCc1cccc(F)c1Br)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000822877737 660356297 /nfs/dbraw/zinc/35/62/97/660356297.db2.gz BDYHUXOFWRAGJC-KGLIPLIRSA-N 1 0 385.277 2.500 20 0 GFADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1cc(Cl)c(F)cc1Br ZINC000822878491 660356540 /nfs/dbraw/zinc/35/65/40/660356540.db2.gz ILKFQCHAOCWQGW-ZJUUUORDSA-N 1 0 391.668 2.835 20 0 GFADRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)C[C@]2(C)CC2(Cl)Cl)CC1 ZINC000822912738 660357869 /nfs/dbraw/zinc/35/78/69/660357869.db2.gz JDIMZSSZCVVYKO-HLLBOEOZSA-N 1 0 376.372 2.977 20 0 GFADRO COc1cc(Br)c(Cc2noc(C[C@H]3CC[NH2+]C3)n2)cc1OC ZINC000822910605 660357900 /nfs/dbraw/zinc/35/79/00/660357900.db2.gz PQLJBCISWIOUAA-SNVBAGLBSA-N 1 0 382.258 2.592 20 0 GFADRO COc1ccc(Cc2noc([C@@H]3CC[NH2+][C@H]3C)n2)c(Br)c1OC ZINC000822946490 660358620 /nfs/dbraw/zinc/35/86/20/660358620.db2.gz FBMPJGQKTAQXOT-GXSJLCMTSA-N 1 0 382.258 2.906 20 0 GFADRO COc1ccc(Cc2noc([C@H]3C[C@@]34CC[NH2+]C4)n2)c(Br)c1OC ZINC000822947721 660358815 /nfs/dbraw/zinc/35/88/15/660358815.db2.gz ZBGJSJSKQAJWNU-PIGZYNQJSA-N 1 0 394.269 2.907 20 0 GFADRO Fc1cc(Br)ccc1-c1noc(-c2cn([C@@H]3CCC[NH2+]C3)nn2)n1 ZINC000823064634 660360808 /nfs/dbraw/zinc/36/08/08/660360808.db2.gz MLCOCYYMNGMYFU-SNVBAGLBSA-N 1 0 393.220 2.821 20 0 GFADRO Ic1ccc(OCc2noc([C@@H]3CCC[NH2+]C3)n2)cc1 ZINC000823167563 660363823 /nfs/dbraw/zinc/36/38/23/660363823.db2.gz JLTOHSDHASAMMY-SNVBAGLBSA-N 1 0 385.205 2.720 20 0 GFADRO Cn1nc(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)cc1Br ZINC000823613277 660376514 /nfs/dbraw/zinc/37/65/14/660376514.db2.gz CEEVJAOHNANHAW-HNNXBMFYSA-N 1 0 377.286 2.750 20 0 GFADRO CCS(=O)(=O)C[C@H](C)[N@H+](C)C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000823453652 660372439 /nfs/dbraw/zinc/37/24/39/660372439.db2.gz WBUVFSYWSGNWJU-HRCADAONSA-N 1 0 376.563 2.777 20 0 GFADRO CCCN(C(=O)c1cc(Br)c2nccnc2c1)[C@@H]1CC[N@H+](C)C1 ZINC000823500073 660373985 /nfs/dbraw/zinc/37/39/85/660373985.db2.gz UDCFQAPWEWAYJM-CYBMUJFWSA-N 1 0 377.286 2.949 20 0 GFADRO CCn1ncc(C(=O)N(CC[NH+](C)C)Cc2ccsc2)c1Br ZINC000823540553 660374505 /nfs/dbraw/zinc/37/45/05/660374505.db2.gz AYUYNKKTXBWYHI-UHFFFAOYSA-N 1 0 385.331 2.931 20 0 GFADRO Cn1c(C(=O)N[C@H]2C[C@@H]([NH+]3CCCC3)C2)cc2cc(Br)cnc21 ZINC000823653082 660377382 /nfs/dbraw/zinc/37/73/82/660377382.db2.gz SNWSFPMPXNTVGT-OKILXGFUSA-N 1 0 377.286 2.692 20 0 GFADRO C[C@H](C(=O)N1C[C@@H]2CC[N@H+](C)C[C@@H]2C1)c1ccc(I)cc1 ZINC000823790683 660380211 /nfs/dbraw/zinc/38/02/11/660380211.db2.gz JDKVZHAWRUTDCV-AEGPPILISA-N 1 0 398.288 2.805 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1CNCC[N@@H+]1CCC[C@H]1C ZINC000824097650 660385459 /nfs/dbraw/zinc/38/54/59/660385459.db2.gz BIOJSNHKFKYADJ-KGLIPLIRSA-N 1 0 398.345 2.536 20 0 GFADRO CCn1nc(C)c(CN(CC[NH+](C)C)Cc2ccc(Br)cc2)n1 ZINC000824383040 660391054 /nfs/dbraw/zinc/39/10/54/660391054.db2.gz JDMAGRITDKODOT-UHFFFAOYSA-N 1 0 380.334 2.933 20 0 GFADRO C[NH+](C)CCOc1ccc(CCC(=O)Nc2c[nH]nc2Br)cc1 ZINC000824467823 660392960 /nfs/dbraw/zinc/39/29/60/660392960.db2.gz GYXMEQFPMXXCIR-UHFFFAOYSA-N 1 0 381.274 2.684 20 0 GFADRO OCCCN1CCC[C@@H]1C[NH2+]Cc1nc2ccc(Br)cc2s1 ZINC000824564682 660397249 /nfs/dbraw/zinc/39/72/49/660397249.db2.gz MKRVLRLIHKCGGH-CYBMUJFWSA-N 1 0 384.343 2.995 20 0 GFADRO O=C(c1cnn(Cc2ccccc2)c1Br)N1CC([NH+]2CCCC2)C1 ZINC000824864988 660403747 /nfs/dbraw/zinc/40/37/47/660403747.db2.gz BELYRWJNSHNGSC-UHFFFAOYSA-N 1 0 389.297 2.614 20 0 GFADRO Cc1ccc(-c2ncc(C[NH2+]CCS(=O)(=O)C3CCOCC3)s2)cc1 ZINC000824897552 660404447 /nfs/dbraw/zinc/40/44/47/660404447.db2.gz XMUHIDRMBVAFEW-UHFFFAOYSA-N 1 0 380.535 2.802 20 0 GFADRO O=S(=O)(CC[NH2+]Cc1ccc(Br)c(Cl)c1)C1CCOCC1 ZINC000824903694 660404681 /nfs/dbraw/zinc/40/46/81/660404681.db2.gz JTFAAOTUBOVXAJ-UHFFFAOYSA-N 1 0 396.734 2.786 20 0 GFADRO COc1ccc(Br)cc1C[C@@H](CO)C[NH2+]Cc1ccc(F)nc1 ZINC000825133482 660412105 /nfs/dbraw/zinc/41/21/05/660412105.db2.gz HHKAQCFYFQEDRL-CYBMUJFWSA-N 1 0 383.261 2.933 20 0 GFADRO Cn1ncc(C[NH2+]C[C@@H](CO)Cc2ccc(F)c(Br)c2)c1Cl ZINC000825133843 660412421 /nfs/dbraw/zinc/41/24/21/660412421.db2.gz NDLNUCNDPBWBHN-NSHDSACASA-N 1 0 390.684 2.916 20 0 GFADRO CS(=O)(=O)c1cccc(C[NH2+]C[C@H](O)c2ccccc2Br)c1 ZINC000825343039 660421802 /nfs/dbraw/zinc/42/18/02/660421802.db2.gz HWVGFJFKGOREPP-INIZCTEOSA-N 1 0 384.295 2.676 20 0 GFADRO O=C(c1ccco1)N1CCC([NH2+]C[C@H](O)c2ccccc2Br)CC1 ZINC000825344307 660421977 /nfs/dbraw/zinc/42/19/77/660421977.db2.gz VRQDCKYCWOVBEK-INIZCTEOSA-N 1 0 393.281 2.970 20 0 GFADRO CC(C)(C)CC[NH+]1CCN(C(=O)c2c(Br)nc3n2CCC3)CC1 ZINC000825384017 660424389 /nfs/dbraw/zinc/42/43/89/660424389.db2.gz FIRTZVVZWHKYSW-UHFFFAOYSA-N 1 0 383.334 2.786 20 0 GFADRO CC(C)[N@H+](C)CC1CCN(C(=O)c2c(Br)nc3n2CCC3)CC1 ZINC000825411229 660426162 /nfs/dbraw/zinc/42/61/62/660426162.db2.gz MDRUGWGBLCWSQR-UHFFFAOYSA-N 1 0 383.334 2.784 20 0 GFADRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)c1cc(Br)n(C)n1 ZINC000826032904 660448186 /nfs/dbraw/zinc/44/81/86/660448186.db2.gz NTMZXKGYPGNVMX-AWEZNQCLSA-N 1 0 391.313 2.919 20 0 GFADRO CC(C)([NH3+])CCC(=O)N1CC[C@@]2(C)[C@@H](C1)C2(Br)Br ZINC000852901770 661876924 /nfs/dbraw/zinc/87/69/24/661876924.db2.gz QYTOIGKLFLFALC-SKDRFNHKSA-N 1 0 382.140 2.858 20 0 GFADRO CC[C@H]1[NH2+]CC[C@@H]1C(=O)N1CC[C@@]2(C)[C@@H](C1)C2(Br)Br ZINC000852901716 661876910 /nfs/dbraw/zinc/87/69/10/661876910.db2.gz PCJPDLFHFUOQDW-WGBDABJCSA-N 1 0 394.151 2.729 20 0 GFADRO C[N@@H+]1CC[C@H]2CN(C(=O)c3cnn(-c4cccc(Br)c4)c3)CC[C@@H]21 ZINC000827318674 660488784 /nfs/dbraw/zinc/48/87/84/660488784.db2.gz IBHVYINGAJWGJD-GUYCJALGSA-N 1 0 389.297 2.801 20 0 GFADRO Ic1ccc(NC2CC[NH+](C[C@@H]3CCCO3)CC2)nc1 ZINC000827389461 660493069 /nfs/dbraw/zinc/49/30/69/660493069.db2.gz ISOAVSLLWKYPCP-AWEZNQCLSA-N 1 0 387.265 2.742 20 0 GFADRO C[NH+]1CCC(N2CC[C@@H](NC(=O)c3cc4sccc4nc3Cl)C2)CC1 ZINC000827413947 660494141 /nfs/dbraw/zinc/49/41/41/660494141.db2.gz OBFKTLYGBLCYTB-GFCCVEGCSA-N 1 0 378.929 2.848 20 0 GFADRO CC(C)C[C@H](CNC(=O)[C@]1(C)CC1(Br)Br)[NH+](C)C ZINC000827489454 660499529 /nfs/dbraw/zinc/49/95/29/660499529.db2.gz RBHKAHHVBPGBPE-PWSUYJOCSA-N 1 0 384.156 2.975 20 0 GFADRO OCCCC[NH+]1CCN(c2ncc(Br)cc2C(F)(F)F)CC1 ZINC000827675491 660508299 /nfs/dbraw/zinc/50/82/99/660508299.db2.gz UAADASGOANUELH-UHFFFAOYSA-N 1 0 382.224 2.757 20 0 GFADRO Cn1nc(C(=O)NC(C)(C)C[N@H+](C)Cc2ccccc2)cc1Br ZINC000827675056 660508328 /nfs/dbraw/zinc/50/83/28/660508328.db2.gz PCLURDIBWXEKQQ-UHFFFAOYSA-N 1 0 379.302 2.823 20 0 GFADRO Cc1nc(SCC(C)C)sc1CC(=O)NCCC[NH+]1CCC(O)CC1 ZINC000828149427 660537497 /nfs/dbraw/zinc/53/74/97/660537497.db2.gz JGLMFNYINDUCNM-UHFFFAOYSA-N 1 0 385.599 2.705 20 0 GFADRO C[C@@]1(C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)CC1(Br)Br ZINC000828447949 660548940 /nfs/dbraw/zinc/54/89/40/660548940.db2.gz BDZPNFJWHJVPOV-YPMHNXCESA-N 1 0 394.151 2.827 20 0 GFADRO Cc1cc(I)cc(C(=O)N2CC[C@@H]3[C@H](CC[N@H+]3C)C2)c1 ZINC000828508963 660552177 /nfs/dbraw/zinc/55/21/77/660552177.db2.gz AQGAXMJDNWVFKU-IUODEOHRSA-N 1 0 384.261 2.766 20 0 GFADRO C[N@@H+]1CC[C@H]2CN(C(=O)c3cc(Br)c4nccnc4c3)CC[C@@H]21 ZINC000828510221 660552810 /nfs/dbraw/zinc/55/28/10/660552810.db2.gz HMOYXKSGGBYFLN-NHYWBVRUSA-N 1 0 375.270 2.559 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc(Br)c4nccnc4c3)CC[C@@H]21 ZINC000828510217 660552868 /nfs/dbraw/zinc/55/28/68/660552868.db2.gz HMOYXKSGGBYFLN-ABAIWWIYSA-N 1 0 375.270 2.559 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2csc(I)n2)[C@@H](C)C1 ZINC000828596450 660558935 /nfs/dbraw/zinc/55/89/35/660558935.db2.gz VOZCSZNITFRXEQ-ONGXEEELSA-N 1 0 393.294 2.550 20 0 GFADRO C[C@@H](NC(=O)[C@@]1(C)CC1(Br)Br)C(C)(C)C[NH+](C)C ZINC000828622409 660560033 /nfs/dbraw/zinc/56/00/33/660560033.db2.gz SDDDMZBUWTUSSH-BXKDBHETSA-N 1 0 384.156 2.975 20 0 GFADRO CCO[C@@H]1C[C@@]([NH3+])(C(=O)NCCc2ccc(Br)cc2F)C1(C)C ZINC000828982230 660577743 /nfs/dbraw/zinc/57/77/43/660577743.db2.gz DNEPMCKZPSIYSQ-RHSMWYFYSA-N 1 0 387.293 2.779 20 0 GFADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccc(C(F)(F)Br)nc2)C1 ZINC000829209844 660585562 /nfs/dbraw/zinc/58/55/62/660585562.db2.gz XWVAGMAXMALKML-NSHDSACASA-N 1 0 376.245 2.940 20 0 GFADRO O=C(CC1([NH+]2CCOCC2)CCCC1)NCc1ncc(Br)s1 ZINC000829545376 660599397 /nfs/dbraw/zinc/59/93/97/660599397.db2.gz PUAUWCWFPBVTKW-UHFFFAOYSA-N 1 0 388.331 2.557 20 0 GFADRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)[C@@H]2CCO[C@H]2c2cncc(Br)c2)C1 ZINC000829703964 660608392 /nfs/dbraw/zinc/60/83/92/660608392.db2.gz JKSZQKVBWJVBLH-TWMKSMIVSA-N 1 0 396.329 2.911 20 0 GFADRO CCO[C@H](CC[NH+](C)C)CNC(=O)c1ccc(C(F)(F)Br)nc1 ZINC000829852345 660617117 /nfs/dbraw/zinc/61/71/17/660617117.db2.gz VBVANSWWSROKSY-GFCCVEGCSA-N 1 0 394.260 2.612 20 0 GFADRO C[NH+]1CCC(OCC(=O)N2CCC[C@@H]2c2cncc(Br)c2)CC1 ZINC000830101503 660635346 /nfs/dbraw/zinc/63/53/46/660635346.db2.gz JYNVECFCIRQKNU-MRXNPFEDSA-N 1 0 382.302 2.618 20 0 GFADRO Cc1cc([C@@H]([NH3+])CC(=O)N2CCN([C@@H](C)C(F)(F)F)CC2)cc(Cl)n1 ZINC000831047625 660692077 /nfs/dbraw/zinc/69/20/77/660692077.db2.gz TVEFWNIPTGCJST-AAEUAGOBSA-N 1 0 378.826 2.528 20 0 GFADRO CCO[C@@H](CNC(=O)Cc1c[nH]c2ccc(Br)cc12)C[NH+](C)C ZINC000831707881 660720844 /nfs/dbraw/zinc/72/08/44/660720844.db2.gz OAMIJBXNJGQPHM-AWEZNQCLSA-N 1 0 382.302 2.556 20 0 GFADRO CS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000831722219 660722446 /nfs/dbraw/zinc/72/24/46/660722446.db2.gz VFUYHMOZCWEGBD-KBPBESRZSA-N 1 0 384.929 2.595 20 0 GFADRO Cn1cc(C[NH2+]C[C@@H]2CCCO[C@H]2C(C)(C)C)c(I)n1 ZINC000894260821 663451486 /nfs/dbraw/zinc/45/14/86/663451486.db2.gz OSAHQHPUWLQALW-WCQYABFASA-N 1 0 391.297 2.956 20 0 GFADRO CC[NH+]1CCN(CC(C)(C)NS(=O)(=O)/C=C\c2ccc(Cl)cc2)CC1 ZINC000832679525 660794757 /nfs/dbraw/zinc/79/47/57/660794757.db2.gz GGMBZYVCVILFLQ-ZROIWOOFSA-N 1 0 385.961 2.646 20 0 GFADRO C[N@H+](CCC(=O)Nc1cccnc1)C[C@@H](O)c1ccccc1Br ZINC000832681167 660795007 /nfs/dbraw/zinc/79/50/07/660795007.db2.gz ZXSIFXYJAOGWPK-MRXNPFEDSA-N 1 0 378.270 2.838 20 0 GFADRO C[C@](O)(C[NH2+]C[C@H](O)COc1ccccc1)c1ccc(Br)cc1F ZINC000834363330 660816508 /nfs/dbraw/zinc/81/65/08/660816508.db2.gz ZPECTSRIFQLIED-KSSFIOAISA-N 1 0 398.272 2.825 20 0 GFADRO CCS(=O)(=O)CC[NH2+][C@@H](C)c1ccc(F)c(I)c1 ZINC000834562645 660824922 /nfs/dbraw/zinc/82/49/22/660824922.db2.gz UBPNFLIWWQVCGJ-VIFPVBQESA-N 1 0 385.242 2.516 20 0 GFADRO Cn1nc(-c2nc(-c3cccc(OCC[NH+](C)C)c3)no2)cc1Br ZINC000834588344 660825740 /nfs/dbraw/zinc/82/57/40/660825740.db2.gz AYOWFCWVRWXBIJ-UHFFFAOYSA-N 1 0 392.257 2.840 20 0 GFADRO CC1([NH+]2CCC2)CCC(NC(=O)c2nn3c(c2Br)CCC3)CC1 ZINC000834764009 660832447 /nfs/dbraw/zinc/83/24/47/660832447.db2.gz DBRDMFGQCQUBSZ-UHFFFAOYSA-N 1 0 381.318 2.729 20 0 GFADRO C[C@H]([NH2+]CCS(=O)(=O)C1CCOCC1)c1ccc(Br)s1 ZINC000834887579 660837100 /nfs/dbraw/zinc/83/71/00/660837100.db2.gz UUTFXERVBKHXDH-JTQLQIEISA-N 1 0 382.345 2.755 20 0 GFADRO COc1c(C)cc([C@H](C)[NH2+]CCS(=O)(=O)C2CCOCC2)cc1Cl ZINC000834890345 660837164 /nfs/dbraw/zinc/83/71/64/660837164.db2.gz MPUPHCVHTJTSSF-ZDUSSCGKSA-N 1 0 375.918 2.901 20 0 GFADRO CC[C@@H]([NH2+]CCS(=O)(=O)C1CCOCC1)c1cc(Cl)ccc1OC ZINC000834891274 660837294 /nfs/dbraw/zinc/83/72/94/660837294.db2.gz ROEYUSGMJGRWPQ-MRXNPFEDSA-N 1 0 375.918 2.983 20 0 GFADRO O=C(NC[C@@H](O)c1ccccc1Br)NC1CC[NH+](CC2CC2)CC1 ZINC000836227689 660896183 /nfs/dbraw/zinc/89/61/83/660896183.db2.gz OSFKBCMNVAFLPO-QGZVFWFLSA-N 1 0 396.329 2.656 20 0 GFADRO O=C(NCCOc1ccc(Cl)c(Cl)c1)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000836280777 660898020 /nfs/dbraw/zinc/89/80/20/660898020.db2.gz BUMQUKHHXXKWDP-OCCSQVGLSA-N 1 0 388.295 2.535 20 0 GFADRO CC[NH+]1CCC(CNC(=O)NC[C@H](O)c2ccccc2Br)CC1 ZINC000836346237 660901045 /nfs/dbraw/zinc/90/10/45/660901045.db2.gz QDOQVHGQLRZBTB-INIZCTEOSA-N 1 0 384.318 2.514 20 0 GFADRO CCCC[N@H+](C)C[C@@H](C)NC(=O)NC[C@@H](O)c1ccccc1Br ZINC000836461406 660907775 /nfs/dbraw/zinc/90/77/75/660907775.db2.gz DKPDWXLHZSQJGH-CZUORRHYSA-N 1 0 386.334 2.902 20 0 GFADRO CCC[N@H+](CC)C[C@@H](C)NC(=O)NC[C@@H](O)c1ccccc1Br ZINC000836466853 660908498 /nfs/dbraw/zinc/90/84/98/660908498.db2.gz ORYFYRZJWVVUDR-CZUORRHYSA-N 1 0 386.334 2.902 20 0 GFADRO O=C(Nc1ccnc(Br)c1)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000836693845 660931632 /nfs/dbraw/zinc/93/16/32/660931632.db2.gz YWHADPXWLJRCJG-CQSZACIVSA-N 1 0 383.290 2.609 20 0 GFADRO COc1cc(Br)c([C@H]2NC(=[NH2+])Nc3nc4ccccc4n32)cc1O ZINC000007126779 654463784 /nfs/dbraw/zinc/46/37/84/654463784.db2.gz BLWWLNBOTJEFLT-AWEZNQCLSA-N 1 0 388.225 2.609 20 0 GFADRO CCN(CC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1)Cc1ccc(Cl)s1 ZINC000016341602 654517890 /nfs/dbraw/zinc/51/78/90/654517890.db2.gz NDRWTBCJGODBRB-HNNXBMFYSA-N 1 0 387.977 2.696 20 0 GFADRO C[C@@H](C[NH+]1CCCCC1)NC(=O)c1cn(-c2ccccc2Br)nn1 ZINC000032664455 654607225 /nfs/dbraw/zinc/60/72/25/654607225.db2.gz NEDCAINURROZOY-ZDUSSCGKSA-N 1 0 392.301 2.634 20 0 GFADRO C[C@H](CNS(=O)(=O)c1cc(Br)cnc1Cl)[NH+]1CCCCC1 ZINC000041066450 654622392 /nfs/dbraw/zinc/62/23/92/654622392.db2.gz LHQWNRYITVCFGB-SNVBAGLBSA-N 1 0 396.738 2.650 20 0 GFADRO C[C@@H](CNC(=O)C(=O)Nc1cccc(Br)c1)[N@@H+]1CCCC[C@@H]1C ZINC000041644006 654628558 /nfs/dbraw/zinc/62/85/58/654628558.db2.gz IGSOQCOTBVIIQB-STQMWFEESA-N 1 0 382.302 2.767 20 0 GFADRO C[N@H+](CCCCNC(=O)COc1ccc(C=O)cc1Br)C1CC1 ZINC000837225792 660979768 /nfs/dbraw/zinc/97/97/68/660979768.db2.gz TZCJYZHTJGJSCM-UHFFFAOYSA-N 1 0 383.286 2.631 20 0 GFADRO O=C(Nc1cc2c(cc1Br)OCCO2)NC1CC[NH+](C2CC2)CC1 ZINC000043455915 654649662 /nfs/dbraw/zinc/64/96/62/654649662.db2.gz LHPKOFNWLRXHJM-UHFFFAOYSA-N 1 0 396.285 2.969 20 0 GFADRO CC[NH+](CC)CCCNC(=O)NCC(=O)Nc1ccc(Br)cc1C ZINC000045550137 654669795 /nfs/dbraw/zinc/66/97/95/654669795.db2.gz UIEUBQBODKKFLG-UHFFFAOYSA-N 1 0 399.333 2.727 20 0 GFADRO O=C(Cc1ccc(Br)cc1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000047423088 654694355 /nfs/dbraw/zinc/69/43/55/654694355.db2.gz PFMSNAQBKRFECA-UHFFFAOYSA-N 1 0 381.314 2.562 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)C[N@@H+](C)CCCc1cnn(C)c1 ZINC000047660183 654699076 /nfs/dbraw/zinc/69/90/76/654699076.db2.gz HXZLLCPLMYYAEU-UHFFFAOYSA-N 1 0 379.302 2.994 20 0 GFADRO CC[NH+]1CCN(c2ccc(NC(=O)CSc3nncs3)c(C)c2)CC1 ZINC000048359917 654705313 /nfs/dbraw/zinc/70/53/13/654705313.db2.gz IYXYMTMMJKKERA-UHFFFAOYSA-N 1 0 377.539 2.719 20 0 GFADRO CN(C[C@@H](O)c1ccccc1Br)C(=O)NCCC[NH+]1CCCCC1 ZINC000837387306 660991834 /nfs/dbraw/zinc/99/18/34/660991834.db2.gz CALHHLIVKGZZFV-QGZVFWFLSA-N 1 0 398.345 3.000 20 0 GFADRO C[NH+](C)C1(CNC(=O)C(=O)Nc2ccc(Br)cc2F)CCCC1 ZINC000048744439 654712824 /nfs/dbraw/zinc/71/28/24/654712824.db2.gz VKTXQWZRCUTAOG-UHFFFAOYSA-N 1 0 386.265 2.517 20 0 GFADRO C[C@@H](C[NH+]1CCCCC1)NC(=O)N(C)C[C@@H](O)c1ccccc1Br ZINC000837531568 661003874 /nfs/dbraw/zinc/00/38/74/661003874.db2.gz OPBXWBMURRWBGN-WMLDXEAASA-N 1 0 398.345 2.998 20 0 GFADRO CC(C)c1cc(Br)ccc1NC(=O)C(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000121990023 654727301 /nfs/dbraw/zinc/72/73/01/654727301.db2.gz KYMPGFOJHYDUNQ-LBPRGKRZSA-N 1 0 382.302 2.579 20 0 GFADRO Cc1cc(C)c(Br)c(C(=O)NCCCC[NH+]2CCN(C)CC2)c1 ZINC000122353097 654735268 /nfs/dbraw/zinc/73/52/68/654735268.db2.gz HKCPWZXWPUFMTH-UHFFFAOYSA-N 1 0 382.346 2.823 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)Cc2cccc(I)c2)C1 ZINC000122873456 654745426 /nfs/dbraw/zinc/74/54/26/654745426.db2.gz GXTZHWQBOSZXSE-LSDHHAIUSA-N 1 0 386.277 2.823 20 0 GFADRO C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)NCCCC[NH+]1CCOCC1 ZINC000053450689 654746979 /nfs/dbraw/zinc/74/69/79/654746979.db2.gz MJJYIXJZCOPLRX-ZDUSSCGKSA-N 1 0 375.296 2.989 20 0 GFADRO Cc1ccc(NC(=O)C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)c(Br)c1 ZINC000123245058 654754333 /nfs/dbraw/zinc/75/43/33/654754333.db2.gz FOKCOPLGCCSPMI-AWEZNQCLSA-N 1 0 394.313 2.640 20 0 GFADRO Cc1ccc(Br)c(NC(=O)C(=O)N[C@H](C)C[NH+]2CCCCC2)c1 ZINC000123451477 654756078 /nfs/dbraw/zinc/75/60/78/654756078.db2.gz BCLDETZHGGIFNI-CYBMUJFWSA-N 1 0 382.302 2.687 20 0 GFADRO CC1CC[NH+](CCNC(=O)Cc2cccc(I)c2)CC1 ZINC000123758825 654762716 /nfs/dbraw/zinc/76/27/16/654762716.db2.gz AZSDZVLELDWDGY-UHFFFAOYSA-N 1 0 386.277 2.682 20 0 GFADRO CN(Cc1csc(C(C)(C)O)n1)C(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000837515301 661002676 /nfs/dbraw/zinc/00/26/76/661002676.db2.gz YAPXSVXPCBLWKF-CQSZACIVSA-N 1 0 382.555 2.876 20 0 GFADRO C[C@@H]1C[C@@H](NS(=O)(=O)/C=C/c2cccc(Br)c2)C[N@@H+]1C1CC1 ZINC000124116438 654771009 /nfs/dbraw/zinc/77/10/09/654771009.db2.gz FGXHCZIIHNDHIQ-HBCWJJAPSA-N 1 0 385.327 2.964 20 0 GFADRO C[N@@H+]1CCC[C@H]2CN(Cn3nc(Br)c(=O)c4ccccc43)CC[C@@H]21 ZINC000124326372 654774401 /nfs/dbraw/zinc/77/44/01/654774401.db2.gz XEJLJECEGUYMRL-ZFWWWQNUSA-N 1 0 391.313 2.533 20 0 GFADRO C[NH+](C)CC(C)(C)CNC(=O)c1ccc(F)c(I)c1 ZINC000124507398 654776777 /nfs/dbraw/zinc/77/67/77/654776777.db2.gz VVXRKIOWOLDTDM-UHFFFAOYSA-N 1 0 378.229 2.748 20 0 GFADRO O=C(NC1CC([NH+]2CCCCC2)C1)c1c(Br)nc2n1CCCC2 ZINC000837594141 661006951 /nfs/dbraw/zinc/00/69/51/661006951.db2.gz YXEUYRCRMJWQDW-UHFFFAOYSA-N 1 0 381.318 2.729 20 0 GFADRO C[NH+](C)CCCCCCCNC(=O)NNC(=O)c1ccccc1Br ZINC000125084126 654787554 /nfs/dbraw/zinc/78/75/54/654787554.db2.gz WWKIICDPMKMSQV-UHFFFAOYSA-N 1 0 399.333 2.905 20 0 GFADRO C[N@@H+]1CCC[C@H]1CCSc1nnc(-c2cccc(Br)c2)n1N ZINC000125163298 654788976 /nfs/dbraw/zinc/78/89/76/654788976.db2.gz KAYCREDEMVZXEF-ZDUSSCGKSA-N 1 0 382.331 2.998 20 0 GFADRO O=C(NC1CC[NH+](Cc2ccncc2)CC1)c1cncc(Br)c1 ZINC000057166479 654802338 /nfs/dbraw/zinc/80/23/38/654802338.db2.gz WLTPAONQKVHSGC-UHFFFAOYSA-N 1 0 375.270 2.634 20 0 GFADRO O=C(NCCOc1cccc(Br)c1)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000057347575 654805829 /nfs/dbraw/zinc/80/58/29/654805829.db2.gz UHQLIQDDWTXJIQ-JKSUJKDBSA-N 1 0 382.302 2.754 20 0 GFADRO O=C(Cc1cc[nH]c(=O)c1Br)O[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000837675634 661010859 /nfs/dbraw/zinc/01/08/59/661010859.db2.gz LRFZUCKAOHNJSR-OAHLLOKOSA-N 1 0 391.265 2.910 20 0 GFADRO O=C(O[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cc[nH]c(=O)c1Br ZINC000837676375 661011234 /nfs/dbraw/zinc/01/12/34/661011234.db2.gz SVUYDKBCIMQDAY-ZDUSSCGKSA-N 1 0 377.238 2.981 20 0 GFADRO O=C(CCCOc1ccccc1Br)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000061649251 654841554 /nfs/dbraw/zinc/84/15/54/654841554.db2.gz FUDGRFIHBWTVDW-LSDHHAIUSA-N 1 0 397.313 2.588 20 0 GFADRO O=C(COC(=O)CSC1CC1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000837873661 661018833 /nfs/dbraw/zinc/01/88/33/661018833.db2.gz ZRRVQMAMJXLHCO-UHFFFAOYSA-N 1 0 380.535 2.613 20 0 GFADRO [NH3+][C@@H]1CCCC[C@H]1NC(=O)c1ccc(I)cc1Cl ZINC000128374639 654844776 /nfs/dbraw/zinc/84/47/76/654844776.db2.gz ATOIQKWQMADZGX-VXGBXAGGSA-N 1 0 378.641 2.944 20 0 GFADRO NS(=O)(=O)c1ccc(CC[NH2+]Cc2cc(Br)ccc2F)cc1 ZINC000063201793 654850493 /nfs/dbraw/zinc/85/04/93/654850493.db2.gz RTUHTIUUBKZZDP-UHFFFAOYSA-N 1 0 387.274 2.568 20 0 GFADRO O[C@@H](C[NH2+]Cc1cc(Br)cs1)COc1ccc2c(c1)OCO2 ZINC000063523698 654853801 /nfs/dbraw/zinc/85/38/01/654853801.db2.gz INJFOPSKYHIWJH-NSHDSACASA-N 1 0 386.267 2.769 20 0 GFADRO CC[NH+](CC)CC(=O)N1CCN(Cc2csc(-c3ccsc3)n2)CC1 ZINC000063691336 654856160 /nfs/dbraw/zinc/85/61/60/654856160.db2.gz HOKNSYIEBXVINL-UHFFFAOYSA-N 1 0 378.567 2.858 20 0 GFADRO C[NH+]1CCC(CNC(=O)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000129159025 654858534 /nfs/dbraw/zinc/85/85/34/654858534.db2.gz SLTXGKBBOWXQSD-UHFFFAOYSA-N 1 0 377.794 2.755 20 0 GFADRO CN(C)c1ncc(C[NH2+]CCOc2ncc(C(F)(F)F)cc2Cl)cn1 ZINC000266129712 654858758 /nfs/dbraw/zinc/85/87/58/654858758.db2.gz CPCPFSJFQRZUSI-UHFFFAOYSA-N 1 0 375.782 2.778 20 0 GFADRO C[C@@H]1C[C@H](N(C)S(=O)(=O)c2ccc(Br)c(F)c2)CC[N@@H+]1C ZINC000266218740 654864128 /nfs/dbraw/zinc/86/41/28/654864128.db2.gz RWIAYJQQGULPLV-GHMZBOCLSA-N 1 0 379.295 2.691 20 0 GFADRO CC[NH+](CC)[C@@H]1CCN(C(=O)C[C@@](O)(c2nc(C)cs2)C(F)(F)F)C1 ZINC000266295960 654869849 /nfs/dbraw/zinc/86/98/49/654869849.db2.gz HKAVJWGQWYCAAG-IUODEOHRSA-N 1 0 379.448 2.534 20 0 GFADRO O=C(NCCc1nc(C(F)(F)F)cs1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000266453185 654879721 /nfs/dbraw/zinc/87/97/21/654879721.db2.gz DMXFLFQCGZKXSK-GFCCVEGCSA-N 1 0 376.448 2.974 20 0 GFADRO CC[NH+]1CCC(N[C@@H](C)C(=O)N(C)Cc2ccc(Br)cc2)CC1 ZINC000266499119 654882199 /nfs/dbraw/zinc/88/21/99/654882199.db2.gz AZLLJQUYPOAJJN-AWEZNQCLSA-N 1 0 382.346 2.870 20 0 GFADRO O=C1C[C@@H]([N@@H+]2CCC3(C2)CCOCC3)C(=O)N1c1ccc(Br)cc1 ZINC000266506477 654882535 /nfs/dbraw/zinc/88/25/35/654882535.db2.gz AOCZCATYKLMNKA-OAHLLOKOSA-N 1 0 393.281 2.584 20 0 GFADRO CCCN(CC[NH+](CC)CC)C(=O)c1ccc(Cl)c(NS(C)(=O)=O)c1 ZINC000130238929 654885086 /nfs/dbraw/zinc/88/50/86/654885086.db2.gz UOXCFASUAWBSID-UHFFFAOYSA-N 1 0 389.949 2.906 20 0 GFADRO O[C@H](C[NH2+]Cc1ccc2c[nH]nc2c1)COc1ccccc1Br ZINC000130973122 654894383 /nfs/dbraw/zinc/89/43/83/654894383.db2.gz LTSAJFWIDRNWRP-CQSZACIVSA-N 1 0 376.254 2.855 20 0 GFADRO COc1ccc(C[NH2+]C[C@@H](O)COc2ccccc2Br)cc1O ZINC000130967824 654894540 /nfs/dbraw/zinc/89/45/40/654894540.db2.gz FBZQPEXBTWIDGW-CYBMUJFWSA-N 1 0 382.254 2.693 20 0 GFADRO CC[C@H](NC(=O)N[C@H]1CC[N@H+](CCOC)C1)c1nc(C(F)(F)F)cs1 ZINC000266805176 654894686 /nfs/dbraw/zinc/89/46/86/654894686.db2.gz NRBSCXWNJOJUFL-QWRGUYRKSA-N 1 0 380.436 2.633 20 0 GFADRO CC[C@H](C)[N@H+](C)CCNC(=O)NCC(=O)Nc1ccc(Br)cc1C ZINC000066175092 654896281 /nfs/dbraw/zinc/89/62/81/654896281.db2.gz WOSYKCVDKUFWPF-ZDUSSCGKSA-N 1 0 399.333 2.726 20 0 GFADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2ccc(Br)nc2)[C@H](C)C1 ZINC000266882509 654897430 /nfs/dbraw/zinc/89/74/30/654897430.db2.gz PGPLZKNYMYLREO-HIFRSBDPSA-N 1 0 384.318 2.711 20 0 GFADRO O=C(NCc1sccc1Br)N1CC[NH+](C2CCOCC2)CC1 ZINC000266976124 654901887 /nfs/dbraw/zinc/90/18/87/654901887.db2.gz JGHVXMMJLAVVSV-UHFFFAOYSA-N 1 0 388.331 2.517 20 0 GFADRO O=C(NCCCC[N@H+]1CCC[C@@H]1CO)C1(c2cccc(Br)c2)CC1 ZINC000131437721 654906859 /nfs/dbraw/zinc/90/68/59/654906859.db2.gz SZWFBONSBYPPAS-QGZVFWFLSA-N 1 0 395.341 2.834 20 0 GFADRO C[NH+](C)CCCOC1CCN(c2ncccc2I)CC1 ZINC000267150433 654913818 /nfs/dbraw/zinc/91/38/18/654913818.db2.gz CDJFGHSUNIMCTI-UHFFFAOYSA-N 1 0 389.281 2.623 20 0 GFADRO COCC[N@@H+](Cc1ccc(F)cc1Cl)C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000131711968 654914699 /nfs/dbraw/zinc/91/46/99/654914699.db2.gz GEFQOAWESSXAFM-CQSZACIVSA-N 1 0 392.924 2.599 20 0 GFADRO COc1c(Cl)cc(NC(=O)C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)cc1Cl ZINC000267385665 654926518 /nfs/dbraw/zinc/92/65/18/654926518.db2.gz GRNFCSIJAYAOIC-PWSUYJOCSA-N 1 0 388.295 2.930 20 0 GFADRO Cc1cc(Br)c(NC(=O)C[NH2+]C(C)(C)CO)c(Br)c1 ZINC000916573380 664465048 /nfs/dbraw/zinc/46/50/48/664465048.db2.gz ZVPADGBHRRGNGI-UHFFFAOYSA-N 1 0 394.107 2.819 20 0 GFADRO CCC[N@H+](C[C@@H](O)Cc1ccccc1C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 ZINC000132255156 654930605 /nfs/dbraw/zinc/93/06/05/654930605.db2.gz QLENZZDWXNMWON-CABCVRRESA-N 1 0 379.444 2.508 20 0 GFADRO CC(C)C[C@@H](CNC(=O)Cc1ccccc1I)[NH+](C)C ZINC000132901308 654948649 /nfs/dbraw/zinc/94/86/49/654948649.db2.gz HAIGEUPZZYELMJ-AWEZNQCLSA-N 1 0 388.293 2.926 20 0 GFADRO COC1CC[NH+](CCNC(=O)Cc2c[nH]c3cc(Br)ccc23)CC1 ZINC000133041599 654952962 /nfs/dbraw/zinc/95/29/62/654952962.db2.gz GDSDXHBCXDXTOA-UHFFFAOYSA-N 1 0 394.313 2.700 20 0 GFADRO C[C@@H](CNC(=O)[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)[NH+]1CCCC1 ZINC000068064412 654953139 /nfs/dbraw/zinc/95/31/39/654953139.db2.gz OZACCAQHQREOMH-JSGCOSHPSA-N 1 0 384.307 2.947 20 0 GFADRO CC[NH+](CC)CCCNC(=O)C(=O)Nc1ccc(Br)c(Cl)c1 ZINC000133086805 654954854 /nfs/dbraw/zinc/95/48/54/654954854.db2.gz HHFRODFNSCYSSV-UHFFFAOYSA-N 1 0 390.709 2.889 20 0 GFADRO C[C@@H](CNC(=O)[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)[N@H+](C)C1CC1 ZINC000068195987 654957384 /nfs/dbraw/zinc/95/73/84/654957384.db2.gz ZWYBBDZFCOQGJB-SMDDNHRTSA-N 1 0 384.307 2.945 20 0 GFADRO C[NH2+][C@H]1CCCN(C(=O)c2cc(Cl)ccc2I)C1 ZINC000133275181 654958820 /nfs/dbraw/zinc/95/88/20/654958820.db2.gz ACPNNGUAEQNWMT-JTQLQIEISA-N 1 0 378.641 2.769 20 0 GFADRO Cc1ccc(I)c(C(=O)N[C@H]2C[N@H+](C3CC3)C[C@H]2C)c1 ZINC000268166068 654961625 /nfs/dbraw/zinc/96/16/25/654961625.db2.gz DMEYXNSNUSDZKV-ABAIWWIYSA-N 1 0 384.261 2.812 20 0 GFADRO CC(=O)N(C)CC(=O)N(CC[NH+]1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC000068476693 654963945 /nfs/dbraw/zinc/96/39/45/654963945.db2.gz ICZPGEOCZHGBPY-UHFFFAOYSA-N 1 0 386.323 2.896 20 0 GFADRO Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH2+]CC(C)(C)NS(C)(=O)=O ZINC000068990216 654971130 /nfs/dbraw/zinc/97/11/30/654971130.db2.gz IWAWIIHPDZFADN-UHFFFAOYSA-N 1 0 384.933 2.560 20 0 GFADRO Cc1ccc(C(=O)NCC[NH2+][C@@H](C)Cn2cc(Br)cn2)cc1F ZINC000133912763 654977269 /nfs/dbraw/zinc/97/72/69/654977269.db2.gz XJMGGOLSHQPALA-LBPRGKRZSA-N 1 0 383.265 2.501 20 0 GFADRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1c(F)cccc1I ZINC000268633853 654980815 /nfs/dbraw/zinc/98/08/15/654980815.db2.gz KYHVFZJIXMWZCH-ZANVPECISA-N 1 0 388.224 2.643 20 0 GFADRO O=C(NCCCC[N@H+]1CCC[C@H]1CO)c1cc2c(cccc2Br)[nH]1 ZINC000134091344 654982581 /nfs/dbraw/zinc/98/25/81/654982581.db2.gz LBLTYCCGTZEJQK-ZDUSSCGKSA-N 1 0 394.313 2.897 20 0 GFADRO CC(C)[N@@H+]1CCCN(C(=O)CCN2C(=S)N=NC2c2cccs2)CC1 ZINC000069537068 654983008 /nfs/dbraw/zinc/98/30/08/654983008.db2.gz DHVZUUSGQOEGLL-UHFFFAOYSA-N 1 0 379.555 2.628 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000268706274 654983662 /nfs/dbraw/zinc/98/36/62/654983662.db2.gz LDAACRIWEVHHIV-UHFFFAOYSA-N 1 0 396.329 2.939 20 0 GFADRO C[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccc3cc(Br)ccc3c2)C1 ZINC000268715299 654984014 /nfs/dbraw/zinc/98/40/14/654984014.db2.gz BPSVKJZBWSZMMN-LBPRGKRZSA-N 1 0 390.281 2.609 20 0 GFADRO O=C(/C=C/c1ccc(Br)o1)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000069741644 654985783 /nfs/dbraw/zinc/98/57/83/654985783.db2.gz BRQVRIOQJDTCOG-YVARQFDVSA-N 1 0 383.286 2.626 20 0 GFADRO C[C@H]([NH2+]C[C@@H]1CCS(=O)(=O)C1)c1ccc(OC(F)F)cc1OC(F)F ZINC000268775141 654986301 /nfs/dbraw/zinc/98/63/01/654986301.db2.gz VGCUAMYQHIUQFV-UWVGGRQHSA-N 1 0 385.379 2.975 20 0 GFADRO COCC[C@@](C)(O)C[NH2+][C@H](C)c1nnn(-c2cccc(Br)c2)c1C ZINC000268929855 654991520 /nfs/dbraw/zinc/99/15/20/654991520.db2.gz QNWLYKLEJZIATL-SJKOYZFVSA-N 1 0 397.317 2.776 20 0 GFADRO [NH3+]CC[C@@H]1CCCCN1S(=O)(=O)c1ccc(Br)cc1Cl ZINC000070149285 654992141 /nfs/dbraw/zinc/99/21/41/654992141.db2.gz CLUJHCVBGVDUGL-NSHDSACASA-N 1 0 381.723 2.995 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)C(=O)NC[C@@H](CC(C)C)[NH+](C)C ZINC000070896789 654996623 /nfs/dbraw/zinc/99/66/23/654996623.db2.gz OPKVLSOPZYYVNT-CQSZACIVSA-N 1 0 384.318 2.789 20 0 GFADRO CS(=O)(=O)c1cc(C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)ccc1Cl ZINC000071038952 654998782 /nfs/dbraw/zinc/99/87/82/654998782.db2.gz YTBPAFLLQPTAHL-UHFFFAOYSA-N 1 0 376.825 2.577 20 0 GFADRO CCOCCOc1ccc(Br)cc1/C=C/C(=O)N1CC[C@H]([NH2+]C)C1 ZINC000269142802 654999769 /nfs/dbraw/zinc/99/97/69/654999769.db2.gz WXGMKIHBMRFLAZ-RRGWEWPQSA-N 1 0 397.313 2.698 20 0 GFADRO CCCC[C@H](C[NH3+])NC(=O)[C@H](CCSC)NC(=O)c1ccccc1Cl ZINC000269196272 655001458 /nfs/dbraw/zinc/00/14/58/655001458.db2.gz QFAZLMWFWMSZFI-CJNGLKHVSA-N 1 0 385.961 2.825 20 0 GFADRO O=C(C[C@@H]1C[NH2+]CCO1)N1CCC(OCc2ccc(Cl)c(Cl)c2)CC1 ZINC000269233284 655002322 /nfs/dbraw/zinc/00/23/22/655002322.db2.gz JDNKIEBAFZUNQH-OAHLLOKOSA-N 1 0 387.307 2.880 20 0 GFADRO COc1c(Br)cc(C[NH2+]CC[S@@](C)=O)cc1Br ZINC000134742122 655002502 /nfs/dbraw/zinc/00/25/02/655002502.db2.gz UHPDUKORZMFQNP-KRWDZBQOSA-N 1 0 385.121 2.688 20 0 GFADRO C[NH+](C)CCN(CC(=O)OC(C)(C)C)C(=O)c1sccc1Br ZINC000072064614 655002992 /nfs/dbraw/zinc/00/29/92/655002992.db2.gz MVPRWEVIMGIMNO-UHFFFAOYSA-N 1 0 391.331 2.856 20 0 GFADRO C[C@@H]1CN(C(=O)[C@H]2CCCN2C(=O)c2ccc(Cl)c(Cl)c2)CC[C@H]1[NH3+] ZINC000269293460 655004418 /nfs/dbraw/zinc/00/44/18/655004418.db2.gz VHSFGVRFSMHRNR-HFBAOOFYSA-N 1 0 384.307 2.794 20 0 GFADRO O=S(=O)(c1cc(F)ccc1Br)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000269367587 655007150 /nfs/dbraw/zinc/00/71/50/655007150.db2.gz RRMMJKNBVWSGOB-LBPRGKRZSA-N 1 0 391.306 2.695 20 0 GFADRO C[NH+](C)[C@H]1CCN(c2ccc(NC(=O)c3ccc(Br)nc3)nc2)C1 ZINC000269400544 655008419 /nfs/dbraw/zinc/00/84/19/655008419.db2.gz DALNKJAIYNEOEW-AWEZNQCLSA-N 1 0 390.285 2.632 20 0 GFADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)c1ccc2cc(Br)ccc2c1 ZINC000269518554 655012447 /nfs/dbraw/zinc/01/24/47/655012447.db2.gz HNGISJBPCQJWCV-KRWDZBQOSA-N 1 0 376.298 2.578 20 0 GFADRO O=S(=O)(c1cnc2ccsc2c1)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000269528140 655012685 /nfs/dbraw/zinc/01/26/85/655012685.db2.gz VAJYGPFUACAOOF-GUYCJALGSA-N 1 0 377.535 2.934 20 0 GFADRO CCC[C@H](C)[C@H]1CCC[N@@H+]1CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl ZINC000135348291 655013980 /nfs/dbraw/zinc/01/39/80/655013980.db2.gz DTAFDNHDEXRLHQ-BLLLJJGKSA-N 1 0 387.933 2.827 20 0 GFADRO CCn1cnnc1CC[NH2+]Cc1ccc(OC(F)F)c(Br)c1 ZINC000092565884 655014281 /nfs/dbraw/zinc/01/42/81/655014281.db2.gz DAZQOICPCHHYTL-UHFFFAOYSA-N 1 0 375.217 2.994 20 0 GFADRO O=C(NC1CC[NH+](CC2(O)CCCCC2)CC1)c1ccc(Br)o1 ZINC000135443331 655017235 /nfs/dbraw/zinc/01/72/35/655017235.db2.gz ZDURARIDMIKBFL-UHFFFAOYSA-N 1 0 385.302 2.932 20 0 GFADRO CC(C)[NH+]1CCC(O)(CNC(=O)c2cc(F)c(F)cc2Br)CC1 ZINC000269735290 655019402 /nfs/dbraw/zinc/01/94/02/655019402.db2.gz XUUQGKHWTIKXMI-UHFFFAOYSA-N 1 0 391.256 2.692 20 0 GFADRO C[C@H]1OCC[C@H]1S(=O)(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000135581301 655021240 /nfs/dbraw/zinc/02/12/40/655021240.db2.gz JMWDIYBYAJAALC-RDTXWAMCSA-N 1 0 386.945 2.649 20 0 GFADRO NC(=O)c1c(F)cc(Br)cc1N1CCC(C[NH+]2CCCC2)CC1 ZINC000094137720 655028022 /nfs/dbraw/zinc/02/80/22/655028022.db2.gz FUXMRLNOCIXINW-UHFFFAOYSA-N 1 0 384.293 2.999 20 0 GFADRO CC[NH+]1CCN(C[C@@H](C)CNS(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC000096999565 655033134 /nfs/dbraw/zinc/03/31/34/655033134.db2.gz ONVNLSHXDFLSBI-ZDUSSCGKSA-N 1 0 394.368 2.545 20 0 GFADRO C[N@@H+]1CCCN(C(=O)CCc2nc(-c3cc(Br)cs3)no2)CC1 ZINC000097025390 655033269 /nfs/dbraw/zinc/03/32/69/655033269.db2.gz FOUZHLONXVZGHR-UHFFFAOYSA-N 1 0 399.314 2.657 20 0 GFADRO CCN(CCC[NH2+]Cc1cc(Cl)ccc1Br)S(C)(=O)=O ZINC000097498732 655035504 /nfs/dbraw/zinc/03/55/04/655035504.db2.gz MSMPEFODCKMHIN-UHFFFAOYSA-N 1 0 383.739 2.864 20 0 GFADRO O=C(Cc1ccc(F)c(Br)c1)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000136861174 655036348 /nfs/dbraw/zinc/03/63/48/655036348.db2.gz AVNDBZIFWALWKS-CQSZACIVSA-N 1 0 399.304 2.748 20 0 GFADRO Cc1cc(I)ccc1NC(=O)C[C@H]1CSCC[NH2+]1 ZINC000097695995 655037477 /nfs/dbraw/zinc/03/74/77/655037477.db2.gz YJFJOSSTKYXXBW-NSHDSACASA-N 1 0 376.263 2.633 20 0 GFADRO C[NH+](C)CCn1cc(NC(=O)/C=C/c2ccc(Br)s2)ccc1=O ZINC000270292411 655040094 /nfs/dbraw/zinc/04/00/94/655040094.db2.gz XBFAVHKTKWMFQG-FNORWQNLSA-N 1 0 396.310 2.886 20 0 GFADRO CCn1c(SCC(=O)NCC[N@H+](CC)C2CC2)nnc1-c1cccs1 ZINC000101958235 655049085 /nfs/dbraw/zinc/04/90/85/655049085.db2.gz BTZYLDMCXDBIIU-UHFFFAOYSA-N 1 0 379.555 2.719 20 0 GFADRO C[NH+](C)[C@@]1(CNC(=O)Nc2nnc(/C=C/c3ccco3)s2)CCSC1 ZINC000270628236 655051428 /nfs/dbraw/zinc/05/14/28/655051428.db2.gz BWJOMCUHHZBJLQ-SQRWCISFSA-N 1 0 379.511 2.860 20 0 GFADRO CCOC(=O)c1ncn(C2CC[NH+](C[C@@]3(C)CC3(Cl)Cl)CC2)c1N ZINC000838970433 661066306 /nfs/dbraw/zinc/06/63/06/661066306.db2.gz VMMZAVQGHUOEMG-OAHLLOKOSA-N 1 0 375.300 2.863 20 0 GFADRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)N[C@@H](CO)c2ccc(Br)cc2)C1 ZINC000271143750 655067691 /nfs/dbraw/zinc/06/76/91/655067691.db2.gz OVLSEUPSDNIUNC-PBHICJAKSA-N 1 0 398.345 2.760 20 0 GFADRO CC(C)CN(C(=O)c1nccn2c(Br)cnc12)C1CC[NH+](C)CC1 ZINC000271242834 655072471 /nfs/dbraw/zinc/07/24/71/655072471.db2.gz HWNPXEIDUJIOBY-UHFFFAOYSA-N 1 0 394.317 2.684 20 0 GFADRO CN(CC1CC[NH+](C)CC1)C(=O)/C=C/c1ccc(I)o1 ZINC000103453405 655072571 /nfs/dbraw/zinc/07/25/71/655072571.db2.gz ZHWOYZASXCJIPL-GQCTYLIASA-N 1 0 388.249 2.698 20 0 GFADRO COc1cc([C@H](C)[NH2+][C@@H]2CCO[C@@]3(CCSC3)C2)ccc1S(C)(=O)=O ZINC000271485063 655082953 /nfs/dbraw/zinc/08/29/53/655082953.db2.gz JNKWZEKVYQGSEK-JOQOYGCGSA-N 1 0 385.551 2.804 20 0 GFADRO CS(=O)(=O)N1CC[C@@H](C[NH2+][C@H]2CCCc3ccc(Br)cc32)C1 ZINC000271530544 655084334 /nfs/dbraw/zinc/08/43/34/655084334.db2.gz QVXHBKYAKSOGBU-LRDDRELGSA-N 1 0 387.343 2.698 20 0 GFADRO O=C1CCCN1C1CC[NH+](C[C@@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000104730767 655084627 /nfs/dbraw/zinc/08/46/27/655084627.db2.gz GAMUXCRIZOFLEF-OAHLLOKOSA-N 1 0 387.307 2.820 20 0 GFADRO O=C(NCCCC[NH+]1CCOCC1)N[C@@H]1C[C@H]1c1ccccc1Br ZINC000104809428 655087051 /nfs/dbraw/zinc/08/70/51/655087051.db2.gz QEPNDJXVXMJICG-DOTOQJQBSA-N 1 0 396.329 2.717 20 0 GFADRO CC(=O)N1CCN(CC[NH2+][C@H](c2ccc(Br)cc2)C2CC2)CC1 ZINC000271612190 655088098 /nfs/dbraw/zinc/08/80/98/655088098.db2.gz AQZDXEVCCDLCML-SFHVURJKSA-N 1 0 380.330 2.654 20 0 GFADRO C[N@H+](CCNC(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1)C1CCCC1 ZINC000105293508 655090280 /nfs/dbraw/zinc/09/02/80/655090280.db2.gz YDNXANUIANJJFQ-UHFFFAOYSA-N 1 0 375.441 2.679 20 0 GFADRO NC(=O)[C@@H]([NH2+]CCN1CCc2ccccc2C1)c1ccc(Br)cc1 ZINC000105400924 655092396 /nfs/dbraw/zinc/09/23/96/655092396.db2.gz UQHROXXZAXMFCC-SFHVURJKSA-N 1 0 388.309 2.623 20 0 GFADRO NC(=O)[C@@H]([NH2+]CCN1CCc2sccc2C1)c1ccc(Br)cc1 ZINC000105401704 655092500 /nfs/dbraw/zinc/09/25/00/655092500.db2.gz PNAMBLFETXWLAV-INIZCTEOSA-N 1 0 394.338 2.685 20 0 GFADRO O=S(=O)(c1ccccc1)N1CCC(C[NH2+]Cc2cccnc2Cl)CC1 ZINC000105472776 655093370 /nfs/dbraw/zinc/09/33/70/655093370.db2.gz JMLPQMAXIQWWQJ-UHFFFAOYSA-N 1 0 379.913 2.926 20 0 GFADRO C[C@H]([C@H](C)[NH2+]CC1=Cc2cc(Br)ccc2OC1)N1CCOCC1 ZINC000105500766 655093561 /nfs/dbraw/zinc/09/35/61/655093561.db2.gz ZEPRUXOKBRUDGR-UONOGXRCSA-N 1 0 381.314 2.924 20 0 GFADRO C[N@H+]1CC=C(CNC(=O)c2ccn(-c3cccc(Br)c3)n2)CC1 ZINC000271881616 655097674 /nfs/dbraw/zinc/09/76/74/655097674.db2.gz CBGMADFAZTULKC-UHFFFAOYSA-N 1 0 375.270 2.627 20 0 GFADRO C[NH+]1CCC(O)(CNC(=O)c2ccc(Br)cc2C(F)(F)F)CC1 ZINC000272109966 655103029 /nfs/dbraw/zinc/10/30/29/655103029.db2.gz XPIWCQYHUPNAHQ-UHFFFAOYSA-N 1 0 395.219 2.654 20 0 GFADRO NS(=O)(=O)C[C@H]1CCC[N@H+](CCSc2ccnc3cc(Cl)ccc32)C1 ZINC000272201536 655105579 /nfs/dbraw/zinc/10/55/79/655105579.db2.gz AQHUAOYQQPFZTN-ZDUSSCGKSA-N 1 0 399.969 2.981 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCN(C(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)C1 ZINC000272266955 655107505 /nfs/dbraw/zinc/10/75/05/655107505.db2.gz NHPIVFXMDPQVPR-MKBNYLNASA-N 1 0 384.307 2.794 20 0 GFADRO CN(C(=O)c1ccn(-c2cccc(Br)c2)n1)C1CC[NH+](C)CC1 ZINC000106725432 655110027 /nfs/dbraw/zinc/11/00/27/655110027.db2.gz WBXBVFZXXCDCDI-UHFFFAOYSA-N 1 0 377.286 2.801 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC000106913690 655114715 /nfs/dbraw/zinc/11/47/15/655114715.db2.gz XCPHAIAGTUKYAZ-MRXNPFEDSA-N 1 0 384.318 2.789 20 0 GFADRO C[NH+]1CCC(C)(CNC(=O)C[C@@H]2Sc3ccc(Cl)cc3NC2=O)CC1 ZINC000272515329 655115363 /nfs/dbraw/zinc/11/53/63/655115363.db2.gz JVDCMPMHGXXJOH-HNNXBMFYSA-N 1 0 381.929 2.991 20 0 GFADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc(F)cc3I)[C@@H]2C1 ZINC000272542236 655115748 /nfs/dbraw/zinc/11/57/48/655115748.db2.gz RZPBHJJQZFSFRU-QMTHXVAHSA-N 1 0 388.224 2.597 20 0 GFADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc(F)c(I)c3)[C@@H]2C1 ZINC000272587833 655116893 /nfs/dbraw/zinc/11/68/93/655116893.db2.gz WXZQWIGTBNHGJS-QMTHXVAHSA-N 1 0 388.224 2.597 20 0 GFADRO COc1ccc(CCC(=O)N2CC[C@H]3CC[N@H+](C)C[C@@H]32)cc1Br ZINC000272611275 655117328 /nfs/dbraw/zinc/11/73/28/655117328.db2.gz ZZNWPOAPJLPYEF-ZBFHGGJFSA-N 1 0 381.314 2.943 20 0 GFADRO C[C@@H]([NH2+]CCOc1cccc(Br)c1)c1cccc(S(N)(=O)=O)c1 ZINC000272664751 655118312 /nfs/dbraw/zinc/11/83/12/655118312.db2.gz ITYOMDUCPDQOSQ-GFCCVEGCSA-N 1 0 399.310 2.826 20 0 GFADRO C[C@@H](NC(=O)NCc1cc2c(c(Br)c1)OCO2)C1=CC[N@H+](C)CC1 ZINC000272788563 655121532 /nfs/dbraw/zinc/12/15/32/655121532.db2.gz SEOJQFALIOECRH-LLVKDONJSA-N 1 0 396.285 2.627 20 0 GFADRO Cc1cc(NC(=O)NCC2([NH+]3CCCC3)CCOCC2)cnc1Br ZINC000272859652 655123715 /nfs/dbraw/zinc/12/37/15/655123715.db2.gz PHCDVOVASMPIHM-UHFFFAOYSA-N 1 0 397.317 2.919 20 0 GFADRO O=C(Cc1csc(-c2cc(Br)cs2)n1)NC[C@@H]1CC[NH2+]C1 ZINC000272995104 655127402 /nfs/dbraw/zinc/12/74/02/655127402.db2.gz GHEBNCDPNRUEMI-SECBINFHSA-N 1 0 386.340 2.902 20 0 GFADRO COc1ccc([C@@H](C)[NH2+]C2CCN(S(=O)(=O)C(F)(F)F)CC2)cc1C ZINC000273003445 655127638 /nfs/dbraw/zinc/12/76/38/655127638.db2.gz XZLOSXRGUJXMAR-GFCCVEGCSA-N 1 0 380.432 2.968 20 0 GFADRO C[C@]1(CNC(=O)c2c(F)cccc2I)CCC[NH2+]C1 ZINC000273044897 655128508 /nfs/dbraw/zinc/12/85/08/655128508.db2.gz VVHRAYXJWWHILN-AWEZNQCLSA-N 1 0 376.213 2.550 20 0 GFADRO O=C(NC[C@@H]1CC[NH2+]C1)c1ccc(COc2ccc(Br)cc2)o1 ZINC000273075956 655129634 /nfs/dbraw/zinc/12/96/34/655129634.db2.gz WPAJBEGKNZTITR-GFCCVEGCSA-N 1 0 379.254 2.960 20 0 GFADRO C[C@@H]1CCC[C@@](CNC(=O)c2sccc2S(=O)(=O)C(F)F)([NH+](C)C)C1 ZINC000108260902 655130028 /nfs/dbraw/zinc/13/00/28/655130028.db2.gz MYQBQGRACAZRLV-BDJLRTHQSA-N 1 0 394.509 2.985 20 0 GFADRO CCOc1c(Br)cc(C(=O)NC[C@@H]2CCC[N@H+](C)C2)cc1OC ZINC000108330158 655131191 /nfs/dbraw/zinc/13/11/91/655131191.db2.gz GGRKYBMLLSKAKR-LBPRGKRZSA-N 1 0 385.302 2.928 20 0 GFADRO O=S(=O)(/C=C/c1cccc(Br)c1)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000108403857 655132050 /nfs/dbraw/zinc/13/20/50/655132050.db2.gz FAAODSMNZUFVEE-DYLHUKMJSA-N 1 0 385.327 2.824 20 0 GFADRO OC[C@H]1CCC[N@@H+]1Cc1ccccc1CNc1ncncc1Br ZINC000273276530 655137678 /nfs/dbraw/zinc/13/76/78/655137678.db2.gz XOUWBVWRPNADDH-OAHLLOKOSA-N 1 0 377.286 2.808 20 0 GFADRO CS(=O)(=O)NC[C@@H]1CCC[N@H+](CCCc2ccccc2Br)C1 ZINC000273306072 655138537 /nfs/dbraw/zinc/13/85/37/655138537.db2.gz HPACJMNBNMYDSA-AWEZNQCLSA-N 1 0 389.359 2.643 20 0 GFADRO Cc1cc(Br)cn2c(CN3CCC([N@H+](C)CCCO)CC3)cnc12 ZINC000273506022 655145741 /nfs/dbraw/zinc/14/57/41/655145741.db2.gz OKNMETNRADKGAE-UHFFFAOYSA-N 1 0 395.345 2.684 20 0 GFADRO CC1CC[NH+](CCCNC(=O)c2ccc(Cl)c(NS(C)(=O)=O)c2)CC1 ZINC000109494006 655147394 /nfs/dbraw/zinc/14/73/94/655147394.db2.gz GFMBQHCMPFTDJG-UHFFFAOYSA-N 1 0 387.933 2.563 20 0 GFADRO C[N@H+](CCNC(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1)C1CCCC1 ZINC000171576422 655152574 /nfs/dbraw/zinc/15/25/74/655152574.db2.gz QIGFXRFVCLXSQF-UHFFFAOYSA-N 1 0 378.416 2.584 20 0 GFADRO COC(=O)CN(C)C(=O)CC[N@@H+]1CCc2sccc2[C@H]1c1cccs1 ZINC000109827118 655152871 /nfs/dbraw/zinc/15/28/71/655152871.db2.gz SWMFJSPPJZKMLK-SFHVURJKSA-N 1 0 378.519 2.779 20 0 GFADRO CC(C)Oc1cccc(C[NH2+]CC2CCN(S(=O)(=O)C(F)F)CC2)c1 ZINC000171842247 655154445 /nfs/dbraw/zinc/15/44/45/655154445.db2.gz HRALBNVEOCNOHU-UHFFFAOYSA-N 1 0 376.469 2.828 20 0 GFADRO COCCn1cc(C[NH2+]C(C)(C)[C@@H](O)c2ccc(Br)cc2)cn1 ZINC000273824825 655159902 /nfs/dbraw/zinc/15/99/02/655159902.db2.gz DPHLRMLHLUZHKP-INIZCTEOSA-N 1 0 382.302 2.894 20 0 GFADRO CC(C)[C@H](C(=O)NCCC(=O)N(C)Cc1ccccc1Br)[NH+](C)C ZINC000110976878 655162960 /nfs/dbraw/zinc/16/29/60/655162960.db2.gz FVYMBBAWQMSWJL-QGZVFWFLSA-N 1 0 398.345 2.500 20 0 GFADRO COc1ccc(S(=O)(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1Br ZINC000173277421 655166869 /nfs/dbraw/zinc/16/68/69/655166869.db2.gz RZTQCJTWNVYUEG-NEPJUHHUSA-N 1 0 391.331 2.561 20 0 GFADRO C[C@H]1CCC[N@H+](CCNS(=O)(=O)Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000111329041 655168819 /nfs/dbraw/zinc/16/88/19/655168819.db2.gz IFSDPMOFCDVPQB-ZDUSSCGKSA-N 1 0 380.432 2.737 20 0 GFADRO C[C@H]([NH2+]C1CCN(CCS(C)(=O)=O)CC1)c1cccc(Br)c1 ZINC000173404848 655170326 /nfs/dbraw/zinc/17/03/26/655170326.db2.gz IBZHTVPPNGNGHH-ZDUSSCGKSA-N 1 0 389.359 2.609 20 0 GFADRO CC(C)[NH+]1CCN(Cc2noc(Cc3ccc(Br)cc3)n2)CC1 ZINC000111682724 655176171 /nfs/dbraw/zinc/17/61/71/655176171.db2.gz ANLNPULJYQNOLA-UHFFFAOYSA-N 1 0 379.302 2.949 20 0 GFADRO CSc1ccsc1C(=O)NCc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000112294116 655186999 /nfs/dbraw/zinc/18/69/99/655186999.db2.gz RWAKRDBSJINMDN-UHFFFAOYSA-N 1 0 377.535 2.691 20 0 GFADRO COC(=O)CC[N@H+](CC(=O)Nc1ccc(Cl)c(Cl)c1)C1CCOCC1 ZINC000174000361 655189453 /nfs/dbraw/zinc/18/94/53/655189453.db2.gz BEGYMXLLOFEBAT-UHFFFAOYSA-N 1 0 389.279 2.976 20 0 GFADRO O=C(c1cccs1)N1CCC[N@@H+](C[C@@H](O)COCc2cccs2)CC1 ZINC000112368579 655190174 /nfs/dbraw/zinc/19/01/74/655190174.db2.gz INNIZLDDQYJVAZ-OAHLLOKOSA-N 1 0 380.535 2.535 20 0 GFADRO NC(=O)[C@@H]1C[N@H+](C[C@@H](O)c2cccc(Br)c2)C[C@H]1c1ccccc1 ZINC000839641090 661097961 /nfs/dbraw/zinc/09/79/61/661097961.db2.gz QBMLOHOUUSVCHS-RCCFBDPRSA-N 1 0 389.293 2.683 20 0 GFADRO C[N@@H+](Cc1cc(=O)[nH]c(C2CC2)n1)C[C@@H](O)c1cccc(Br)c1 ZINC000839645404 661098331 /nfs/dbraw/zinc/09/83/31/661098331.db2.gz UMBRFLBICWLRPL-OAHLLOKOSA-N 1 0 378.270 2.988 20 0 GFADRO O=C(NCCc1cc(Br)ccc1F)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000174362632 655200287 /nfs/dbraw/zinc/20/02/87/655200287.db2.gz PPUYHDYEDNRETM-HNNXBMFYSA-N 1 0 382.277 2.786 20 0 GFADRO C[C@H](CNC(=O)NCCc1cc(Cl)cc(Cl)c1)C[NH+]1CCN(C)CC1 ZINC000174375328 655200469 /nfs/dbraw/zinc/20/04/69/655200469.db2.gz CRQHONZLOFNQKL-CQSZACIVSA-N 1 0 387.355 2.719 20 0 GFADRO Cc1ccc(-c2csc(NC(=O)[C@H]3CC(=O)N(CC[NH+](C)C)C3)n2)s1 ZINC000174718504 655206211 /nfs/dbraw/zinc/20/62/11/655206211.db2.gz LHYNQHBUKTYJMF-LBPRGKRZSA-N 1 0 378.523 2.529 20 0 GFADRO C[NH+](C)[C@H]1CCCN(c2ncnc3ccc(I)cc32)C1 ZINC000174723393 655206609 /nfs/dbraw/zinc/20/66/09/655206609.db2.gz OMQDGERICDWYLU-LBPRGKRZSA-N 1 0 382.249 2.765 20 0 GFADRO COc1ccc(C[NH2+]CCNC(=O)c2cccc(Br)c2)cc1OC ZINC000113354535 655208537 /nfs/dbraw/zinc/20/85/37/655208537.db2.gz YKUABNKORUTFSJ-UHFFFAOYSA-N 1 0 393.281 2.986 20 0 GFADRO CS[C@@H]1CN(C[C@@H](O)c2ccc(Br)cc2)C[C@@H]1[NH+]1CCCC1 ZINC000275003697 655210852 /nfs/dbraw/zinc/21/08/52/655210852.db2.gz AYINUNKLBSPKEA-GVDBMIGSSA-N 1 0 385.371 2.994 20 0 GFADRO CN(C1CC[NH+](C)CC1)S(=O)(=O)c1cc(Br)ccc1Cl ZINC000113943472 655216137 /nfs/dbraw/zinc/21/61/37/655216137.db2.gz LSVKODXYRPTGKN-UHFFFAOYSA-N 1 0 381.723 2.817 20 0 GFADRO CC(C)[NH+]1CCC(O)(CNC(=O)c2c[nH]nc2-c2ccc(Cl)s2)CC1 ZINC000275106695 655217181 /nfs/dbraw/zinc/21/71/81/655217181.db2.gz DPKBVNXTKOZLMT-UHFFFAOYSA-N 1 0 382.917 2.757 20 0 GFADRO COc1ccc(C[N@@H+]2CC[C@@H](C(=O)NCC(F)(F)F)C2)c(Cl)c1OC ZINC000275150239 655219689 /nfs/dbraw/zinc/21/96/89/655219689.db2.gz SIJAOPGDBMKAMW-LLVKDONJSA-N 1 0 380.794 2.858 20 0 GFADRO CS[C@@H]1CN(C(=O)c2cc(NC(C)=O)ccc2Cl)C[C@H]1[NH+]1CCCC1 ZINC000275156867 655220159 /nfs/dbraw/zinc/22/01/59/655220159.db2.gz TWLUMALLQVJKSR-IAGOWNOFSA-N 1 0 381.929 2.950 20 0 GFADRO COc1cc(Br)c(NC(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)cc1OC ZINC000175519633 655222152 /nfs/dbraw/zinc/22/21/52/655222152.db2.gz GMWSQHWZRFEFAN-GFCCVEGCSA-N 1 0 396.285 2.944 20 0 GFADRO CC(C)[NH+]1CCC(NC(=O)CN(C)Cc2ccc(Br)s2)CC1 ZINC000114453906 655224359 /nfs/dbraw/zinc/22/43/59/655224359.db2.gz MMDZUUZGYUZQIJ-UHFFFAOYSA-N 1 0 388.375 2.931 20 0 GFADRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)Nc1cc(Cl)c(N)c(Cl)c1 ZINC000839544536 661090847 /nfs/dbraw/zinc/09/08/47/661090847.db2.gz UOAGOOQLKNIACL-ZDUSSCGKSA-N 1 0 387.311 2.751 20 0 GFADRO Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1[NH2+]C[C@@H](O)c1ccc(Br)cc1 ZINC000275271959 655226195 /nfs/dbraw/zinc/22/61/95/655226195.db2.gz JLMIABOPDDLSCK-JZXOWHBKSA-N 1 0 394.313 2.953 20 0 GFADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2cc(Br)cn2C)[C@H](C)C1 ZINC000115274617 655233675 /nfs/dbraw/zinc/23/36/75/655233675.db2.gz WQHBHJAPEJTTED-HIFRSBDPSA-N 1 0 386.334 2.654 20 0 GFADRO O=C(NC[C@@H](O)c1ccc(Cl)c(F)c1)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000839716473 661101988 /nfs/dbraw/zinc/10/19/88/661101988.db2.gz PFTMBCZAVBEJDB-RHSMWYFYSA-N 1 0 386.920 2.846 20 0 GFADRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)NCCOc1cccc(Br)c1 ZINC000115806658 655242558 /nfs/dbraw/zinc/24/25/58/655242558.db2.gz XOHXEKURCOIWLB-CQSZACIVSA-N 1 0 384.318 2.811 20 0 GFADRO CCN(C[C@H]1CC[N@@H+]([C@@H](C)C(=O)NCc2cccs2)C1)CC(F)(F)F ZINC000176416341 655244724 /nfs/dbraw/zinc/24/47/24/655244724.db2.gz NQHLRQPILVXFKR-UONOGXRCSA-N 1 0 377.476 2.959 20 0 GFADRO C[C@@](O)(CNC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1)c1ccccc1Cl ZINC000839724592 661102672 /nfs/dbraw/zinc/10/26/72/661102672.db2.gz JFTQWGAWKAFCNL-DNVCBOLYSA-N 1 0 382.957 2.881 20 0 GFADRO O=C(CCc1ccc(Br)cc1)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000176485186 655247374 /nfs/dbraw/zinc/24/73/74/655247374.db2.gz UGGPFBYPWDTUMG-INIZCTEOSA-N 1 0 381.314 2.562 20 0 GFADRO CSc1nnc(CNC(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)s1 ZINC000275709900 655247864 /nfs/dbraw/zinc/24/78/64/655247864.db2.gz UOYTZZLSIQHSGB-NSHDSACASA-N 1 0 383.568 2.958 20 0 GFADRO COc1c(Cl)cc(NC(=O)C(=O)N(C)CC2([NH+](C)C)CCC2)cc1Cl ZINC000275789148 655251247 /nfs/dbraw/zinc/25/12/47/655251247.db2.gz UYBOJPLFQOOXKR-UHFFFAOYSA-N 1 0 388.295 2.883 20 0 GFADRO COCCOC1CC[NH+](CC(=O)N[C@H](C)c2ccc(Br)cc2)CC1 ZINC000116886063 655255646 /nfs/dbraw/zinc/25/56/46/655255646.db2.gz ZMXBQWSONWMAET-CQSZACIVSA-N 1 0 399.329 2.754 20 0 GFADRO Cc1ccc(NC(=O)C(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)c(Br)c1 ZINC000275953195 655256091 /nfs/dbraw/zinc/25/60/91/655256091.db2.gz ZBOBNFMFXXNFOF-ZDUSSCGKSA-N 1 0 396.329 2.885 20 0 GFADRO CCOc1cc(C[N@H+](CCO)C2CCOCC2)cc(Br)c1OC ZINC000276056215 655260648 /nfs/dbraw/zinc/26/06/48/655260648.db2.gz UVPPHDZWYZBZTI-UHFFFAOYSA-N 1 0 388.302 2.830 20 0 GFADRO C[NH+](C)C1(CNS(=O)(=O)c2cc3cc(Cl)ccc3s2)CCOCC1 ZINC000176923577 655261573 /nfs/dbraw/zinc/26/15/73/655261573.db2.gz MMUAAEFIZKNBBW-UHFFFAOYSA-N 1 0 388.942 2.944 20 0 GFADRO CSC[C@H](O)C[N@H+](C)Cc1cccc(Br)c1OCC(C)(C)O ZINC000276138321 655264236 /nfs/dbraw/zinc/26/42/36/655264236.db2.gz MYNCPGSWGKIRQC-CYBMUJFWSA-N 1 0 392.359 2.755 20 0 GFADRO Cc1cc(S(=O)(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2)cnc1Cl ZINC000117360919 655264696 /nfs/dbraw/zinc/26/46/96/655264696.db2.gz ZEHVSNKHUAWZSE-UHFFFAOYSA-N 1 0 385.892 2.935 20 0 GFADRO C[C@H]1C[C@@H](NC(=O)c2csc(I)c2)C[N@@H+]1C1CC1 ZINC000177048317 655266164 /nfs/dbraw/zinc/26/61/64/655266164.db2.gz WRXDWDKLTMVWPN-WCBMZHEXSA-N 1 0 376.263 2.708 20 0 GFADRO C[N@@H+]1CCC[C@@H](CNC(=O)c2nn(-c3ccc(F)cc3)cc2Br)C1 ZINC000117796664 655268097 /nfs/dbraw/zinc/26/80/97/655268097.db2.gz AQLVYWWSCZCMTD-LBPRGKRZSA-N 1 0 395.276 2.846 20 0 GFADRO C[C@@H]([NH2+]CCOCC(F)(F)C(F)F)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000276281048 655270024 /nfs/dbraw/zinc/27/00/24/655270024.db2.gz UHIHSYAVDJERSG-LLVKDONJSA-N 1 0 386.411 2.505 20 0 GFADRO Cc1nc(C(F)(F)F)c(C[NH2+][C@H]2CCCC[C@H]2n2cc(CO)nn2)s1 ZINC000276363812 655272860 /nfs/dbraw/zinc/27/28/60/655272860.db2.gz BCPFRLZDVBNBSA-NWDGAFQWSA-N 1 0 375.420 2.828 20 0 GFADRO C[C@@H]([NH2+]C1(CNC(=O)[C@@H]2CSCCS2)CCOCC1)c1ccccc1 ZINC000177287116 655273466 /nfs/dbraw/zinc/27/34/66/655273466.db2.gz MWGRKLDAXPGRGS-WBVHZDCISA-N 1 0 380.579 2.851 20 0 GFADRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)c2cc(=O)c3cc(Br)ccc3[nH]2)C1 ZINC000177503691 655278103 /nfs/dbraw/zinc/27/81/03/655278103.db2.gz XIAFVCBCCKJUAR-OLZOCXBDSA-N 1 0 392.297 2.893 20 0 GFADRO C[C@H](CC[S@](C)=O)[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000276690204 655283898 /nfs/dbraw/zinc/28/38/98/655283898.db2.gz MRIHPUYNHWXOGL-DMZKTXOQSA-N 1 0 389.359 2.532 20 0 GFADRO CC(C)[N@H+](C)CCNC(=O)C(=O)Nc1cc(F)ccc1SCC(F)F ZINC000118959482 655284611 /nfs/dbraw/zinc/28/46/11/655284611.db2.gz IQFBFIHXVRILCC-UHFFFAOYSA-N 1 0 377.432 2.578 20 0 GFADRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)c1cc(=O)[nH]c2ccc(Br)cc21 ZINC000118959985 655284685 /nfs/dbraw/zinc/28/46/85/655284685.db2.gz ACQAMAUPMBWIGO-LBPRGKRZSA-N 1 0 392.297 2.704 20 0 GFADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc(=O)[nH]c3c(Br)cccc23)C1 ZINC000177652645 655284974 /nfs/dbraw/zinc/28/49/74/655284974.db2.gz YGMBSTIGXIPQPZ-LBPRGKRZSA-N 1 0 392.297 2.704 20 0 GFADRO CC(C)(CNC(=O)C(=O)Nc1ccc(Br)cc1)C[NH+]1CCCC1 ZINC000276797288 655288088 /nfs/dbraw/zinc/28/80/88/655288088.db2.gz QJHZYBMNYBFSRY-UHFFFAOYSA-N 1 0 382.302 2.626 20 0 GFADRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)C(=O)Nc2nc(-c3cccs3)cs2)C1 ZINC000178013528 655295348 /nfs/dbraw/zinc/29/53/48/655295348.db2.gz XFCXJKNTXLRCRR-RYUDHWBXSA-N 1 0 378.523 2.799 20 0 GFADRO Cc1cc(NC(=O)C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)ccc1Br ZINC000178018174 655295766 /nfs/dbraw/zinc/29/57/66/655295766.db2.gz WTOPELHIHXWBCD-OCCSQVGLSA-N 1 0 382.302 2.685 20 0 GFADRO COC(=O)[C@@H](C)CC(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000178053170 655296396 /nfs/dbraw/zinc/29/63/96/655296396.db2.gz QIAOZTIAUHGHBV-ZDUSSCGKSA-N 1 0 385.302 2.539 20 0 GFADRO CC(C)(C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1)c1ccc(Br)cc1 ZINC000178090252 655297491 /nfs/dbraw/zinc/29/74/91/655297491.db2.gz KVFUJTMYBBJNBK-OAHLLOKOSA-N 1 0 395.341 2.907 20 0 GFADRO Cc1cccc(I)c1C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000119356416 655300334 /nfs/dbraw/zinc/30/03/34/655300334.db2.gz IVVISGCRINVRSA-LBPRGKRZSA-N 1 0 384.261 2.814 20 0 GFADRO CC(=O)N1CCN(C(=O)[C@@H](C)[NH2+][C@H]2CCSc3ccc(Cl)cc32)CC1 ZINC000119402034 655302966 /nfs/dbraw/zinc/30/29/66/655302966.db2.gz NHEPTDLHABJVTP-WBMJQRKESA-N 1 0 381.929 2.546 20 0 GFADRO C[NH+](C)CCCCNC(=O)c1nc(Br)ccc1Br ZINC000277205947 655307725 /nfs/dbraw/zinc/30/77/25/655307725.db2.gz FZHBWXZWTKGDQM-UHFFFAOYSA-N 1 0 379.096 2.678 20 0 GFADRO C[C@H](C[NH+]1CCCCC1)NC(=O)Cc1ccccc1I ZINC000119632003 655309154 /nfs/dbraw/zinc/30/91/54/655309154.db2.gz JKYZRCUCSTWEJK-CYBMUJFWSA-N 1 0 386.277 2.824 20 0 GFADRO CCS(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@H]2CC[N@H+](CC(C)C)C2)c1 ZINC000119862200 655318718 /nfs/dbraw/zinc/31/87/18/655318718.db2.gz BXQRABGWKAFTTE-CQSZACIVSA-N 1 0 386.945 2.841 20 0 GFADRO CCCC[NH+]1CCC(NC(=O)c2cncc(I)c2)CC1 ZINC000119937583 655322022 /nfs/dbraw/zinc/32/20/22/655322022.db2.gz JHQGGEQRROUPTQ-UHFFFAOYSA-N 1 0 387.265 2.681 20 0 GFADRO O=S(=O)(NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1ccc(Cl)nc1 ZINC000119969216 655323363 /nfs/dbraw/zinc/32/33/63/655323363.db2.gz AXMPSGGPHWAECS-ZDUSSCGKSA-N 1 0 385.942 2.987 20 0 GFADRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)C1(c2ccc(Br)cc2)CCOCC1 ZINC000277510893 655323711 /nfs/dbraw/zinc/32/37/11/655323711.db2.gz KLURWEQULVBCTC-XJKSGUPXSA-N 1 0 381.314 2.612 20 0 GFADRO C[C@@H](NC(=O)Cc1cc2c(cc1Br)OCCO2)C(C)(C)C[NH+](C)C ZINC000120026903 655325048 /nfs/dbraw/zinc/32/50/48/655325048.db2.gz QBUFCAPGMKKNOF-GFCCVEGCSA-N 1 0 399.329 2.855 20 0 GFADRO Cc1sc(C(=O)NCc2cccc(C[NH+](C)C)c2)cc1CS(C)(=O)=O ZINC000120067333 655326486 /nfs/dbraw/zinc/32/64/86/655326486.db2.gz PJDBGIITPXFFLJ-UHFFFAOYSA-N 1 0 380.535 2.593 20 0 GFADRO O=C(CSCC(=O)Nc1cccc(Br)c1)NNc1cc[nH+]cc1 ZINC000180491342 655327248 /nfs/dbraw/zinc/32/72/48/655327248.db2.gz NXCSOXHLZHWZSD-UHFFFAOYSA-N 1 0 395.282 2.659 20 0 GFADRO C[C@H](NC(=O)CN1CC[C@@H]2COC(=O)N[C@H]2C1)c1ccc(Cl)c(Cl)c1 ZINC000281413447 655333091 /nfs/dbraw/zinc/33/30/91/655333091.db2.gz OGYJKXOREXBDEX-NVBFEUDRSA-N 1 0 386.279 2.601 20 0 GFADRO Cc1ccc(Br)c(NC(=O)C(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000120529901 655338309 /nfs/dbraw/zinc/33/83/09/655338309.db2.gz WFMVMUJIGPVVGS-OLZOCXBDSA-N 1 0 382.302 2.637 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000120550030 655338742 /nfs/dbraw/zinc/33/87/42/655338742.db2.gz OWPQSYJFUKBTIF-UHFFFAOYSA-N 1 0 377.286 2.767 20 0 GFADRO C[N@@H+]1CCN(CCNC(=O)c2ccc(Cl)cc2Br)CC1(C)C ZINC000281876092 655339770 /nfs/dbraw/zinc/33/97/70/655339770.db2.gz WUMTUVCUOMBCTE-UHFFFAOYSA-N 1 0 388.737 2.858 20 0 GFADRO COc1ccc([C@H](C)[NH2+]CC(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1Br ZINC000120611696 655340542 /nfs/dbraw/zinc/34/05/42/655340542.db2.gz DZNCOAQHEOJEAC-XQQFMLRXSA-N 1 0 385.302 2.744 20 0 GFADRO O=C(NCCCC[NH+]1CCOCC1)c1nc2ccccc2cc1Br ZINC000289303431 655346192 /nfs/dbraw/zinc/34/61/92/655346192.db2.gz REUZXOPLJXBAFE-UHFFFAOYSA-N 1 0 392.297 2.840 20 0 GFADRO C[C@@H]1C[N@@H+](CCCNC(=O)c2cc(Cl)ncc2Br)C[C@H](C)O1 ZINC000289337606 655346818 /nfs/dbraw/zinc/34/68/18/655346818.db2.gz FKQIMUQOIXQDPJ-PHIMTYICSA-N 1 0 390.709 2.727 20 0 GFADRO COCCCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cc(F)cc(Cl)c1 ZINC000289406799 655348235 /nfs/dbraw/zinc/34/82/35/655348235.db2.gz APEAENMWDAPGDT-UHFFFAOYSA-N 1 0 378.897 2.601 20 0 GFADRO C[NH+](C)CCNC(=O)c1ccccc1NC(=O)c1ccccc1Br ZINC000121196991 655348497 /nfs/dbraw/zinc/34/84/97/655348497.db2.gz ZFGGWEKIJLOFOC-UHFFFAOYSA-N 1 0 390.281 2.993 20 0 GFADRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)NC[C@H](C)C[NH+]2CCCC2)c1 ZINC000183517004 655351912 /nfs/dbraw/zinc/35/19/12/655351912.db2.gz HSHDSUHJTDXLNM-LBPRGKRZSA-N 1 0 375.878 2.567 20 0 GFADRO CN(CCOc1ccc(S(N)(=O)=O)cc1)Cc1nc(Cl)ccc1Cl ZINC000292754035 655354096 /nfs/dbraw/zinc/35/40/96/655354096.db2.gz NZRJFMBJKVUQBZ-UHFFFAOYSA-N 1 0 390.292 2.547 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)C1(O)CCSCC1)c1cccc(C(F)(F)F)c1 ZINC000183892615 655354297 /nfs/dbraw/zinc/35/42/97/655354297.db2.gz NDZDHDSKVHGOTE-CQSZACIVSA-N 1 0 376.444 2.682 20 0 GFADRO O[C@H](COc1ccc(Cl)cc1Br)C[N@@H+]1CCC[C@@H](O)CC1 ZINC000292899851 655356552 /nfs/dbraw/zinc/35/65/52/655356552.db2.gz AGRSRIDQMYRTRV-OLZOCXBDSA-N 1 0 378.694 2.689 20 0 GFADRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)c3cc(C(F)(F)F)cnc3Cl)[C@H]2C1 ZINC000293774453 655361783 /nfs/dbraw/zinc/36/17/83/655361783.db2.gz BDHIDKZNDZXNKB-QWHCGFSZSA-N 1 0 377.794 2.689 20 0 GFADRO C[C@@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1cc(Br)cc(F)c1[O-] ZINC000185367117 655364086 /nfs/dbraw/zinc/36/40/86/655364086.db2.gz MACQVEVMSKXXLT-CYBMUJFWSA-N 1 0 388.325 2.972 20 0 GFADRO CON(C)C(=O)[C@H](CCSC)[NH2+][C@H](C)c1cc(Br)ccc1O ZINC000186118449 655367858 /nfs/dbraw/zinc/36/78/58/655367858.db2.gz QYLGHMXPRPZCTC-MFKMUULPSA-N 1 0 391.331 2.947 20 0 GFADRO Cc1cc2c(cc1C)[C@H]([NH2+]C1CCN(CCS(C)(=O)=O)CC1)CCS2 ZINC000187189976 655372966 /nfs/dbraw/zinc/37/29/66/655372966.db2.gz POBVLTKQPYTHPJ-GOSISDBHSA-N 1 0 382.595 2.939 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)c(C)c1C(=O)NCCC[NH+](C)C ZINC000298739688 655373930 /nfs/dbraw/zinc/37/39/30/655373930.db2.gz PTEXYIKKLCJYCI-UHFFFAOYSA-N 1 0 379.302 2.933 20 0 GFADRO COc1cc[nH+]c(N2CCN(C(=O)c3nc(Br)ccc3C)CC2)c1 ZINC000187903113 655377181 /nfs/dbraw/zinc/37/71/81/655377181.db2.gz ZRQXDHPSSLVXBH-UHFFFAOYSA-N 1 0 391.269 2.519 20 0 GFADRO CC[C@@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1cc(C(=O)OC)ccc1Cl ZINC000303642665 655378113 /nfs/dbraw/zinc/37/81/13/655378113.db2.gz SGDNRFCYNBVLKO-CQSZACIVSA-N 1 0 388.917 2.669 20 0 GFADRO CC[N@@H+]1CCCN(C(=O)c2ccc(I)c(O)c2)[C@@H](C)C1 ZINC000320131829 655381999 /nfs/dbraw/zinc/38/19/99/655381999.db2.gz QZWJIVDMYOWESP-NSHDSACASA-N 1 0 388.249 2.553 20 0 GFADRO CS(=O)(=O)c1ccc([C@H](O)C[NH2+]CCc2ccc(Br)cc2)cc1 ZINC000324476273 655384236 /nfs/dbraw/zinc/38/42/36/655384236.db2.gz BDUPADUAQJELLM-QGZVFWFLSA-N 1 0 398.322 2.718 20 0 GFADRO CC1CC[NH+](CCN2C(=O)N[C@@H](c3ccc(Br)cc3)C2=O)CC1 ZINC000349237998 655388684 /nfs/dbraw/zinc/38/86/84/655388684.db2.gz XUVOZWYUGLFWHN-HNNXBMFYSA-N 1 0 380.286 2.774 20 0 GFADRO O=C(CCC[S@](=O)c1ccc(Br)cc1)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000365243410 655392636 /nfs/dbraw/zinc/39/26/36/655392636.db2.gz HLVGQJHGGZKSPB-SVLHDBBDSA-N 1 0 399.354 2.547 20 0 GFADRO O=C(CCNc1ncc(C(F)(F)F)cc1Cl)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000365241098 655392650 /nfs/dbraw/zinc/39/26/50/655392650.db2.gz AIIJZZZSIPTZLV-GXFFZTMASA-N 1 0 376.810 2.766 20 0 GFADRO Cn1ccnc1[C@@H]1CCCN([C@@H](C(N)=O)c2ccc(Br)cc2F)C1 ZINC000365631202 655394674 /nfs/dbraw/zinc/39/46/74/655394674.db2.gz QFQVBJQAZKSKPT-IAQYHMDHSA-N 1 0 395.276 2.728 20 0 GFADRO O=c1cccc2n1C[C@H]1C[C@@H]2CN(Cn2ncc(Br)c2C2CC2)C1 ZINC000840107945 661133875 /nfs/dbraw/zinc/13/38/75/661133875.db2.gz GOBOUEFPRFBTKB-GXTWGEPZSA-N 1 0 389.297 2.762 20 0 GFADRO C[C@@H](C(=O)N1CCC[N@H+](CC(C)(C)O)CC1)c1ccc(Br)s1 ZINC000366689288 655400765 /nfs/dbraw/zinc/40/07/65/655400765.db2.gz ZTRUBVZCNJCPEV-GFCCVEGCSA-N 1 0 389.359 2.919 20 0 GFADRO O=C(Nc1cnn(CC[NH+]2CCCCC2)c1)c1cccc(Br)n1 ZINC000369505481 655401208 /nfs/dbraw/zinc/40/12/08/655401208.db2.gz YITOLNLQHJMXDP-UHFFFAOYSA-N 1 0 378.274 2.779 20 0 GFADRO O=c1oc2cc(F)c(Br)cc2n1CN1CC[C@H]([NH+]2CCCC2)C1 ZINC000192158670 655403032 /nfs/dbraw/zinc/40/30/32/655403032.db2.gz UZPSHTXDCGOBIH-NSHDSACASA-N 1 0 384.249 2.624 20 0 GFADRO Brc1ccc(CN2CC[C@@]3(CCC[NH2+]3)C2)c(N2CCOCC2)c1 ZINC000415146596 655403611 /nfs/dbraw/zinc/40/36/11/655403611.db2.gz ZFKNMSBYKZLXNV-SFHVURJKSA-N 1 0 380.330 2.614 20 0 GFADRO C[C@H](NC(=O)N(C)CCOc1ccc(Br)cc1)[C@H]1CCC[NH2+]C1 ZINC000418351873 655405757 /nfs/dbraw/zinc/40/57/57/655405757.db2.gz UKZFXRKOKKOUHI-KBPBESRZSA-N 1 0 384.318 2.857 20 0 GFADRO C[C@@H](NC(=O)C(=O)N1CC[C@@]2(CCC[NH2+]2)C1)c1cc(F)c(Cl)cc1Cl ZINC000418827498 655405866 /nfs/dbraw/zinc/40/58/66/655405866.db2.gz CBPPLQGLNJVPQZ-QGHHPUGFSA-N 1 0 388.270 2.664 20 0 GFADRO C[C@H](NC(=O)N1C[C@@H](C)[N@H+](CCO)C[C@H]1C)c1ccc(Br)s1 ZINC000419496034 655406925 /nfs/dbraw/zinc/40/69/25/655406925.db2.gz SWSCJIRVQWSGLB-UTUOFQBUSA-N 1 0 390.347 2.668 20 0 GFADRO C[C@H](C[NH3+])CNC(=O)C(=O)N1CCC(=Cc2cc(Cl)ccc2Cl)CC1 ZINC000419935663 655407292 /nfs/dbraw/zinc/40/72/92/655407292.db2.gz CUCYMSPXEHSHTI-GFCCVEGCSA-N 1 0 384.307 2.710 20 0 GFADRO O=S(=O)(c1cc(Cl)c(Br)cc1F)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000420476872 655407499 /nfs/dbraw/zinc/40/74/99/655407499.db2.gz RKMDJOPOAASRJL-CYBMUJFWSA-N 1 0 397.697 2.758 20 0 GFADRO C[NH2+]C[C@@H]1CCN(S(=O)(=O)c2ccc3cc(Br)ccc3c2)C1 ZINC000193267459 655409057 /nfs/dbraw/zinc/40/90/57/655409057.db2.gz DGOTZFOSTHODPN-LBPRGKRZSA-N 1 0 383.311 2.832 20 0 GFADRO COC(=O)CN1CCC([NH2+][C@H]2CCc3c2ccc(F)c3Br)CC1 ZINC000449547297 655410266 /nfs/dbraw/zinc/41/02/66/655410266.db2.gz HLPYMFYGEIPNNP-HNNXBMFYSA-N 1 0 385.277 2.803 20 0 GFADRO O=C(COC1CC[NH2+]CC1)Nc1nc2ccc(OC(F)(F)F)cc2s1 ZINC000517918315 655419278 /nfs/dbraw/zinc/41/92/78/655419278.db2.gz JKGSWAODICTQRV-UHFFFAOYSA-N 1 0 375.372 2.902 20 0 GFADRO CCOc1ccc(S(=O)(=O)NC[C@H]2CCC[C@H]([NH3+])C2)cc1Br ZINC000517935183 655419356 /nfs/dbraw/zinc/41/93/56/655419356.db2.gz MZSCWDXRRCBRGN-RYUDHWBXSA-N 1 0 391.331 2.644 20 0 GFADRO C[NH+](C)C[C@@](C)(O)CNCc1cc(Br)c(Br)s1 ZINC000227935247 655423047 /nfs/dbraw/zinc/42/30/47/655423047.db2.gz BBFVVPRTJPOUES-NSHDSACASA-N 1 0 386.153 2.675 20 0 GFADRO CC[C@H]1C[N@H+](C)CCN1C(=O)NCc1cc(F)c(F)cc1Br ZINC000562671386 655423865 /nfs/dbraw/zinc/42/38/65/655423865.db2.gz KDLCUOJKWVMECJ-NSHDSACASA-N 1 0 376.245 2.963 20 0 GFADRO C[C@@H](CNC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)Oc1ccccc1Br ZINC000566058219 655424381 /nfs/dbraw/zinc/42/43/81/655424381.db2.gz LWOBTNBUIXYFKU-MELADBBJSA-N 1 0 382.302 2.752 20 0 GFADRO Cc1cc(C[NH2+]C[C@@H](O)COc2cc(F)cc(Br)c2)nc(C)n1 ZINC000566064211 655424514 /nfs/dbraw/zinc/42/45/14/655424514.db2.gz GFXYQBUINLGIAR-OAHLLOKOSA-N 1 0 384.249 2.525 20 0 GFADRO CCCC[C@H](C[NH3+])NC(=O)c1ccc(Cl)c(S(=O)(=O)N(CC)CC)c1 ZINC000236929657 655425159 /nfs/dbraw/zinc/42/51/59/655425159.db2.gz BPSXNEXSGFZJDG-CQSZACIVSA-N 1 0 389.949 2.618 20 0 GFADRO CN(C1C[C@H]2CC[C@@H](C1)[NH2+]2)S(=O)(=O)/C=C/c1ccc(Br)cc1 ZINC000237240389 655425960 /nfs/dbraw/zinc/42/59/60/655425960.db2.gz XWZKJHHVTYIPRS-NPSSGITNSA-N 1 0 385.327 2.964 20 0 GFADRO O=C(/C=C/c1cc(C(F)(F)F)ccc1Cl)NCCCN1CC[NH2+]CC1 ZINC000237841204 655426717 /nfs/dbraw/zinc/42/67/17/655426717.db2.gz MAPDEECEZSSZRH-GORDUTHDSA-N 1 0 375.822 2.784 20 0 GFADRO CO[C@H]1CCN(C(=O)Nc2ccc(Br)c(C3CC3)n2)[C@@H](C[NH3+])C1 ZINC000574294110 655428320 /nfs/dbraw/zinc/42/83/20/655428320.db2.gz NOGCVXYZYRBQKT-NEPJUHHUSA-N 1 0 383.290 2.692 20 0 GFADRO CC[NH+]1CCC(N(C)S(=O)(=O)Cc2ccccc2Br)CC1 ZINC000574302374 655428449 /nfs/dbraw/zinc/42/84/49/655428449.db2.gz ZHCFOFYSVLGAQS-UHFFFAOYSA-N 1 0 375.332 2.695 20 0 GFADRO O=C(Nc1ccc(=O)n(Cc2ccc(Cl)c(Cl)c2)c1)N[C@H]1CC[NH2+]C1 ZINC000574340542 655429335 /nfs/dbraw/zinc/42/93/35/655429335.db2.gz JADGWBMKWMEFRI-LBPRGKRZSA-N 1 0 381.263 2.687 20 0 GFADRO C[C@H](CNC(=O)c1ccn(-c2ccc(Br)cc2)n1)[NH+]1CCCC1 ZINC000574828007 655431575 /nfs/dbraw/zinc/43/15/75/655431575.db2.gz YLWJICRRYDHLGD-CYBMUJFWSA-N 1 0 377.286 2.849 20 0 GFADRO O=S(=O)(NCC1CC[NH+](C2CC2)CC1)c1cc(F)ccc1OC(F)F ZINC000574866830 655432346 /nfs/dbraw/zinc/43/23/46/655432346.db2.gz SYVKDUIEQHIGMJ-UHFFFAOYSA-N 1 0 378.416 2.580 20 0 GFADRO CCOC(=O)N[C@@H]1CCC[N@H+](C[C@@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000248758583 655433142 /nfs/dbraw/zinc/43/31/42/655433142.db2.gz KWIFFCMIJAMYOH-ZIAGYGMSSA-N 1 0 391.295 2.944 20 0 GFADRO C[C@H](CCC[NH3+])NS(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCCCO1 ZINC000575059368 655434867 /nfs/dbraw/zinc/43/48/67/655434867.db2.gz RQEKEJSCTDJHOK-UKRRQHHQSA-N 1 0 390.933 2.694 20 0 GFADRO C[C@H](NC(=O)N[C@@H](c1cncc(Br)c1)C1CC1)[C@@H]1CCC[NH2+]C1 ZINC000575108863 655435807 /nfs/dbraw/zinc/43/58/07/655435807.db2.gz NDYQAHFKZZBRQR-NORZTCDRSA-N 1 0 381.318 2.983 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)c2nnc(-c3cc(Br)c[nH]3)n2C)[C@@H](C)C1 ZINC000575789622 655437062 /nfs/dbraw/zinc/43/70/62/655437062.db2.gz YHYDEBJTSJRXIB-FZMZJTMJSA-N 1 0 381.322 2.739 20 0 GFADRO COCC[N@H+](CCCN1CCCC1=O)Cc1ccc(Br)s1 ZINC000575972044 655441051 /nfs/dbraw/zinc/44/10/51/655441051.db2.gz GHCXFRDKBAGHID-UHFFFAOYSA-N 1 0 375.332 2.972 20 0 GFADRO Cc1ccc(S(=O)(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)cc1Br ZINC000261635737 655441382 /nfs/dbraw/zinc/44/13/82/655441382.db2.gz DDTREYJTXYUPES-DOTOQJQBSA-N 1 0 395.322 2.873 20 0 GFADRO C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)c1c(F)cccc1I ZINC000575981009 655441402 /nfs/dbraw/zinc/44/14/02/655441402.db2.gz SCNBQTPNJKTFIB-KKFJDGPESA-N 1 0 376.213 2.547 20 0 GFADRO C[C@@H]1c2cc(Cl)cc(Cl)c2CCN1C(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000575985922 655441520 /nfs/dbraw/zinc/44/15/20/655441520.db2.gz FTTJLSQBTGRDCM-BDJLRTHQSA-N 1 0 384.307 2.697 20 0 GFADRO [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)C[C@H]1Sc2ccc(Cl)cc2NC1=O ZINC000575987396 655441635 /nfs/dbraw/zinc/44/16/35/655441635.db2.gz TUTSJEXIEKENHQ-BIIUNJQFSA-N 1 0 379.913 2.775 20 0 GFADRO C[NH+](C)C1(CNC(=O)C2(c3cccc(Br)c3)CC(=O)C2)CCC1 ZINC000576036436 655442257 /nfs/dbraw/zinc/44/22/57/655442257.db2.gz HYSUAFXXMYUJOE-UHFFFAOYSA-N 1 0 379.298 2.650 20 0 GFADRO CC(C)[C@](C)(C[NH3+])NC(=O)c1ncc(Br)cc1Br ZINC000576148206 655444401 /nfs/dbraw/zinc/44/44/01/655444401.db2.gz OGJWXFVVVGDFIM-LBPRGKRZSA-N 1 0 379.096 2.710 20 0 GFADRO Cc1ccc([C@H]([NH3+])C(=O)NC[C@@H](O)COc2cccc(Cl)c2Cl)cc1 ZINC000262626360 655446397 /nfs/dbraw/zinc/44/63/97/655446397.db2.gz GAIYKZONKNBNFA-DYVFJYSZSA-N 1 0 383.275 2.858 20 0 GFADRO CCCN(C(=O)c1ccc(-n2cc(Br)cn2)cc1)[C@@H]1CC[NH2+]C1 ZINC000576576666 655449322 /nfs/dbraw/zinc/44/93/22/655449322.db2.gz KAFQAJGXUAUUIS-MRXNPFEDSA-N 1 0 377.286 2.849 20 0 GFADRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N[C@@H](C)c2ncc(Br)cn2)C1 ZINC000576709054 655451243 /nfs/dbraw/zinc/45/12/43/655451243.db2.gz MAGWGTSBJGTLJV-KBPBESRZSA-N 1 0 398.349 2.967 20 0 GFADRO C[C@H](CNC(=O)c1csc(-c2ccccc2Cl)n1)N1CC[NH+](C)CC1 ZINC000263889951 655453380 /nfs/dbraw/zinc/45/33/80/655453380.db2.gz ZCVQCXSBCZAISZ-CYBMUJFWSA-N 1 0 378.929 2.829 20 0 GFADRO Cc1cccc(NC(=O)C[C@H](C)[NH2+]CCn2cc(Br)ccc2=O)c1 ZINC000577054151 655456542 /nfs/dbraw/zinc/45/65/42/655456542.db2.gz KRBWSIQSGXGYDE-AWEZNQCLSA-N 1 0 392.297 2.926 20 0 GFADRO Cc1cccc(NC(=O)C[C@@H](C)[NH2+]CCn2cc(Br)ccc2=O)c1 ZINC000577054154 655456604 /nfs/dbraw/zinc/45/66/04/655456604.db2.gz KRBWSIQSGXGYDE-CQSZACIVSA-N 1 0 392.297 2.926 20 0 GFADRO COC(=O)c1ccc(S(=O)(=O)N(C)C2CC[NH+](C(C)C)CC2)c(Cl)c1 ZINC000264065419 655456860 /nfs/dbraw/zinc/45/68/60/655456860.db2.gz JWZTXGCAHDYHBZ-UHFFFAOYSA-N 1 0 388.917 2.620 20 0 GFADRO O=S(=O)(c1ccc(Br)c(F)c1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000577064285 655456885 /nfs/dbraw/zinc/45/68/85/655456885.db2.gz VCMKZCLWMPHUNO-LBPRGKRZSA-N 1 0 391.306 2.598 20 0 GFADRO COC[C@]1(CNC(=O)NC2(c3cccc(Br)c3)CC2)CCC[NH2+]1 ZINC000577355746 655457537 /nfs/dbraw/zinc/45/75/37/655457537.db2.gz SQPGIFMOAVEBJE-MRXNPFEDSA-N 1 0 382.302 2.506 20 0 GFADRO CC(C)C(=O)NC[C@H]1CCC[N@H+](C[C@@H](O)c2ccc(Br)cc2)C1 ZINC000264127534 655457671 /nfs/dbraw/zinc/45/76/71/655457671.db2.gz NICVNAPJYJKKOT-RHSMWYFYSA-N 1 0 383.330 2.967 20 0 GFADRO C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)Nc1ccc(C(F)(F)F)c(Br)c1 ZINC000577396415 655458597 /nfs/dbraw/zinc/45/85/97/655458597.db2.gz XXVGMFUBUMQZCW-SFYZADRCSA-N 1 0 396.207 2.648 20 0 GFADRO Cc1nc(-c2ccc(Cl)c(Cl)c2)n(C[N@H+]2CC[C@H](C(=O)N(C)C)C2)n1 ZINC000840173696 661143852 /nfs/dbraw/zinc/14/38/52/661143852.db2.gz FKEINUAKFZMMBD-ZDUSSCGKSA-N 1 0 382.295 2.928 20 0 GFADRO Brc1ccccc1-n1cc(CN2CC[C@H](C[NH+]3CCCC3)C2)nn1 ZINC000577446995 655459719 /nfs/dbraw/zinc/45/97/19/655459719.db2.gz JFRSOTDUCMSXHJ-OAHLLOKOSA-N 1 0 390.329 2.948 20 0 GFADRO NS(=O)(=O)c1ccc(NC[C@H]2CCCC[N@@H+]2C2CC2)c(C(F)(F)F)c1 ZINC000577460109 655460139 /nfs/dbraw/zinc/46/01/39/655460139.db2.gz PKBHQTVCQJZKHI-GFCCVEGCSA-N 1 0 377.432 2.782 20 0 GFADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000264459789 655464145 /nfs/dbraw/zinc/46/41/45/655464145.db2.gz RLRMYLXBMZNMPG-ZDUSSCGKSA-N 1 0 378.929 2.829 20 0 GFADRO Cn1nc(Br)c2c1ncnc2N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000264595805 655466683 /nfs/dbraw/zinc/46/66/83/655466683.db2.gz MKCUGXZVNRDHHT-GFCCVEGCSA-N 1 0 379.306 2.581 20 0 GFADRO Cc1cc(C(=O)N[C@@H](CO)C[NH+]2CCCCC2)cc(Cl)c1Br ZINC000577945374 655469809 /nfs/dbraw/zinc/46/98/09/655469809.db2.gz YHYOWAWXBSGXDZ-CYBMUJFWSA-N 1 0 389.721 2.988 20 0 GFADRO Cc1cc(C(=O)N[C@H](CO)C[NH+]2CCCCC2)cc(Cl)c1Br ZINC000577945375 655469889 /nfs/dbraw/zinc/46/98/89/655469889.db2.gz YHYOWAWXBSGXDZ-ZDUSSCGKSA-N 1 0 389.721 2.988 20 0 GFADRO CC1CC[NH+](CCCNC(=O)C(=O)NCc2c(Cl)cccc2Cl)CC1 ZINC000577941106 655469912 /nfs/dbraw/zinc/46/99/12/655469912.db2.gz COHYJTLOFNJMFO-UHFFFAOYSA-N 1 0 386.323 2.848 20 0 GFADRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)C[C@](O)(c1nc(C)cs1)C(F)(F)F ZINC000264787164 655470595 /nfs/dbraw/zinc/47/05/95/655470595.db2.gz XHVNLEHLNBNDBI-DOMZBBRYSA-N 1 0 379.448 2.582 20 0 GFADRO OC[C@H](C[NH2+]C[C@@H](O)COc1cccc(Br)c1)c1ccc(F)cc1 ZINC000578013117 655471295 /nfs/dbraw/zinc/47/12/95/655471295.db2.gz CVLPCCQWEXWJTR-WMLDXEAASA-N 1 0 398.272 2.694 20 0 GFADRO C[C@@H]([NH2+][C@@H](C)Cn1cccn1)C(=O)N(C)Cc1ccc(Br)cc1 ZINC000264865998 655472467 /nfs/dbraw/zinc/47/24/67/655472467.db2.gz NLGXLIPRHUKNRC-UONOGXRCSA-N 1 0 379.302 2.671 20 0 GFADRO Cc1cc(Br)c(O)c(NC(=O)[C@]2([NH3+])[C@H]3CCCO[C@H]3C2(C)C)c1 ZINC000578235156 655474696 /nfs/dbraw/zinc/47/46/96/655474696.db2.gz MEKIHFHGJNWTCI-NCAQKEMTSA-N 1 0 383.286 2.934 20 0 GFADRO C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000265060226 655476718 /nfs/dbraw/zinc/47/67/18/655476718.db2.gz QOLQFCWLBZYKGU-UONOGXRCSA-N 1 0 388.339 2.760 20 0 GFADRO C[NH+](C)CCN1CCC(Nc2ncc3scc(Br)c3n2)CC1 ZINC000578453558 655479488 /nfs/dbraw/zinc/47/94/88/655479488.db2.gz XACKXVQMDWSFTA-UHFFFAOYSA-N 1 0 384.347 2.892 20 0 GFADRO COc1ncc(Br)cc1Cc1noc(C23CCC[NH+]2CCC3)n1 ZINC000578508313 655480684 /nfs/dbraw/zinc/48/06/84/655480684.db2.gz KHFROPFYPISMEU-UHFFFAOYSA-N 1 0 379.258 2.911 20 0 GFADRO C[NH2+][C@H]1CCCN(C(=O)c2cn(-c3ccc(Br)cc3)nc2C)C1 ZINC000578530997 655481256 /nfs/dbraw/zinc/48/12/56/655481256.db2.gz PKFPPFUTMRACAU-AWEZNQCLSA-N 1 0 377.286 2.767 20 0 GFADRO C[C@H](CC[NH+](C)C)NC(=O)CCC[S@](=O)c1ccc(Br)cc1 ZINC000265336203 655481524 /nfs/dbraw/zinc/48/15/24/655481524.db2.gz HECRLUKBBBBNNV-DMZKTXOQSA-N 1 0 389.359 2.793 20 0 GFADRO C[C@@H](Cc1ccc(F)c(Br)c1)NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC000578547303 655481493 /nfs/dbraw/zinc/48/14/93/655481493.db2.gz ZMEZEANVFIINRT-LBPRGKRZSA-N 1 0 397.292 2.707 20 0 GFADRO COCC[C@]1([NH2+]CCS(=O)(=O)c2cc(Cl)ccc2Cl)CCOC1 ZINC000578616277 655483011 /nfs/dbraw/zinc/48/30/11/655483011.db2.gz YYKGCHBNIPGSKK-HNNXBMFYSA-N 1 0 382.309 2.552 20 0 GFADRO Cc1c(S(=O)(=O)N[C@@H](C)C[N@H+](C)C(C)C)cnn1-c1ccc(Cl)cc1 ZINC000578681598 655484600 /nfs/dbraw/zinc/48/46/00/655484600.db2.gz RYAHWTDGBCQTRG-ZDUSSCGKSA-N 1 0 384.933 2.841 20 0 GFADRO CCS(=O)(=O)N(C)CCC[NH2+]C/C(C)=C/c1ccccc1OC(F)F ZINC000578701341 655484963 /nfs/dbraw/zinc/48/49/63/655484963.db2.gz FJFVRXVABSAOPE-WYMLVPIESA-N 1 0 376.469 2.953 20 0 GFADRO C[C@H](CNS(=O)(=O)c1cc(Cl)ccc1Br)[NH+]1CCCC1 ZINC000578713924 655485284 /nfs/dbraw/zinc/48/52/84/655485284.db2.gz AHUVRXFWHOBCLZ-SNVBAGLBSA-N 1 0 381.723 2.865 20 0 GFADRO O=C(Nc1ccc2nccnc2c1Br)N[C@@H]1C[NH2+]CCC1(F)F ZINC000578727357 655485728 /nfs/dbraw/zinc/48/57/28/655485728.db2.gz FAAMLJOVZYLXDQ-SNVBAGLBSA-N 1 0 386.200 2.511 20 0 GFADRO C[C@H](NC(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1)c1ncc(Br)cn1 ZINC000579547483 655501193 /nfs/dbraw/zinc/50/11/93/655501193.db2.gz BHFMYZQJTTVNRH-JSGCOSHPSA-N 1 0 396.333 2.673 20 0 GFADRO O=C(NCC[N@H+]1CC=CCC1)c1ccccc1-n1cc(Br)cn1 ZINC000579555609 655501308 /nfs/dbraw/zinc/50/13/08/655501308.db2.gz YFJMKLLBKKTOGN-UHFFFAOYSA-N 1 0 375.270 2.627 20 0 GFADRO COc1ccc(CNC(=O)N2CC[C@]3(C2)CCC[NH2+]C3)cc1Br ZINC000579690404 655502406 /nfs/dbraw/zinc/50/24/06/655502406.db2.gz FJNHISYVTDSPEA-QGZVFWFLSA-N 1 0 382.302 2.743 20 0 GFADRO O=C(NCCCC[NH+]1CCOCC1)NCC(F)(F)c1ccc(Cl)cc1 ZINC000579746184 655503474 /nfs/dbraw/zinc/50/34/74/655503474.db2.gz LWOWIXHKZFHWNS-UHFFFAOYSA-N 1 0 375.847 2.843 20 0 GFADRO O=S(=O)(c1cc(Cl)ccc1OCC1CCC1)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000579832847 655504547 /nfs/dbraw/zinc/50/45/47/655504547.db2.gz XAVMKZZAFMHDQL-LSDHHAIUSA-N 1 0 384.929 2.749 20 0 GFADRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(Cc2cc(Cl)cc(S(N)(=O)=O)c2)C1 ZINC000579839427 655504653 /nfs/dbraw/zinc/50/46/53/655504653.db2.gz WYOHVDHUIPZHEU-CPUCHLNUSA-N 1 0 385.961 2.825 20 0 GFADRO O=S(=O)(c1cc(Cl)ccc1OC(F)F)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000580073375 655507950 /nfs/dbraw/zinc/50/79/50/655507950.db2.gz HKOFGHYXHZWNGB-LBPRGKRZSA-N 1 0 394.871 2.952 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)N(C)C[C@H](O)c2cccc(Br)c2)CC[N@@H+]1C ZINC000840309832 661153323 /nfs/dbraw/zinc/15/33/23/661153323.db2.gz MWENJIVKMUQUPP-WQVCFCJDSA-N 1 0 384.318 2.607 20 0 GFADRO [NH3+]CCCCn1cc(C(=O)N(Cc2csc(Br)c2)C2CC2)nn1 ZINC000580197270 655509908 /nfs/dbraw/zinc/50/99/08/655509908.db2.gz XCHYKSGKYSOXAC-UHFFFAOYSA-N 1 0 398.330 2.646 20 0 GFADRO Cc1c(Br)c2ccccc2n1CC(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000580340834 655511330 /nfs/dbraw/zinc/51/13/30/655511330.db2.gz ZVJINZICLXYYIV-SFHVURJKSA-N 1 0 376.298 2.924 20 0 GFADRO Brc1csc(-c2nc(N3CC[NH2+]CC3)no2)c1Br ZINC000707808976 655522204 /nfs/dbraw/zinc/52/22/04/655522204.db2.gz WAJTXUHJHRZILJ-UHFFFAOYSA-N 1 0 394.092 2.733 20 0 GFADRO C[NH+](C)C1(C)CCN(C(=O)c2cc(I)ccc2O)CC1 ZINC000709882790 655522371 /nfs/dbraw/zinc/52/23/71/655522371.db2.gz MZMQEKURMJUFHR-UHFFFAOYSA-N 1 0 388.249 2.553 20 0 GFADRO O=C(N[C@]12CCC[C@H]1[NH2+]CC2)c1cc(Cl)ccc1I ZINC000711616553 655522445 /nfs/dbraw/zinc/52/24/45/655522445.db2.gz CZQJLSOAVHYTKU-OCCSQVGLSA-N 1 0 390.652 2.959 20 0 GFADRO C[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+]Cc1cc(Br)cc(Br)c1 ZINC000711765267 655522584 /nfs/dbraw/zinc/52/25/84/655522584.db2.gz RHOSEZHTHBOMJC-PELKAZGASA-N 1 0 397.132 2.734 20 0 GFADRO Cn1cc(C[NH2+]CC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c(Br)n1 ZINC000712461298 655522645 /nfs/dbraw/zinc/52/26/45/655522645.db2.gz HGEFXLIPHVEZEF-GFCCVEGCSA-N 1 0 387.322 2.919 20 0 GFADRO [NH3+]CCN(CC(F)(F)F)S(=O)(=O)c1ccc(Br)cc1Cl ZINC000713321205 655522782 /nfs/dbraw/zinc/52/27/82/655522782.db2.gz ATFZYOMQNFMFQY-UHFFFAOYSA-N 1 0 395.628 2.614 20 0 GFADRO C[C@@H]([NH2+][C@H]1C[C@H](S(C)(=O)=O)C1)c1ccc(I)cc1 ZINC000714252261 655522851 /nfs/dbraw/zinc/52/28/51/655522851.db2.gz AKHDSDQTVGJLNA-OASPWFOLSA-N 1 0 379.263 2.517 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)c2cccc(I)c2)C[C@H]1C(F)(F)F ZINC000720815159 655524670 /nfs/dbraw/zinc/52/46/70/655524670.db2.gz HRVWJORGBAREED-MWLCHTKSSA-N 1 0 398.166 2.500 20 0 GFADRO CSC(C)(C)CC[NH2+]CC[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O ZINC000721737562 655525152 /nfs/dbraw/zinc/52/51/52/655525152.db2.gz DKZCNDLVRULEQE-CQSZACIVSA-N 1 0 394.603 2.532 20 0 GFADRO COc1ccc(NC(=S)NCC2CC[NH+](CCN(C)C)CC2)cc1Cl ZINC000726906520 655539785 /nfs/dbraw/zinc/53/97/85/655539785.db2.gz YTEQHUZABDDMRF-UHFFFAOYSA-N 1 0 384.977 2.909 20 0 GFADRO Cc1ccc[n+](C(C(=O)c2ccc(Cl)c(Cl)c2)C(=S)NCC(N)=O)c1 ZINC000727162233 655542289 /nfs/dbraw/zinc/54/22/89/655542289.db2.gz XTSAYQVBMLALJC-UHFFFAOYSA-O 1 0 397.307 2.875 20 0 GFADRO CC/C=C(\C)C(=O)N1CSC[C@@H]1C(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000728021654 655551735 /nfs/dbraw/zinc/55/17/35/655551735.db2.gz IZJFCZVTRKUISS-JQURRVOSSA-N 1 0 381.567 2.725 20 0 GFADRO O=C1C(=O)N(c2ccc(Br)cc2)C(=O)N1C[N@@H+]1CCC[C@H]1C1CC1 ZINC000728559828 655556553 /nfs/dbraw/zinc/55/65/53/655556553.db2.gz LETUUDDBNIRLSW-AWEZNQCLSA-N 1 0 392.253 2.576 20 0 GFADRO COc1ccc2nc(Cl)ccc2c1S(=O)(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000731039009 655581001 /nfs/dbraw/zinc/58/10/01/655581001.db2.gz MOKJXHGCFSGJNT-GFCCVEGCSA-N 1 0 383.901 2.517 20 0 GFADRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)/C=C/c1ccc(I)o1 ZINC000732138667 655592041 /nfs/dbraw/zinc/59/20/41/655592041.db2.gz FDZPPLBXTXHDRD-YPUOHESYSA-N 1 0 388.249 2.888 20 0 GFADRO CC(C)[NH2+][C@@H]1CCCN(C(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)C1 ZINC000732417638 655596409 /nfs/dbraw/zinc/59/64/09/655596409.db2.gz NWEIZBWFUUYYLE-CYBMUJFWSA-N 1 0 375.441 2.677 20 0 GFADRO CO[C@@H](CNC(=O)NCC1([NH+]2CCSCC2)CCCCC1)C(F)(F)F ZINC000733650249 655618967 /nfs/dbraw/zinc/61/89/67/655618967.db2.gz LKSDPQOVNUCVIK-ZDUSSCGKSA-N 1 0 383.480 2.615 20 0 GFADRO CC(C)OCC(=[NH2+])NOCc1nc(-c2ccc(Br)s2)no1 ZINC000733998050 655624961 /nfs/dbraw/zinc/62/49/61/655624961.db2.gz LRLFKIDVGVTUDN-UHFFFAOYSA-N 1 0 375.248 2.984 20 0 GFADRO CC[S@](=O)CCNC(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000735100460 655639536 /nfs/dbraw/zinc/63/95/36/655639536.db2.gz RNXZADTZESIYFE-VWLOTQADSA-N 1 0 385.961 2.620 20 0 GFADRO O=C1NC2(CCCCC2)C(=O)N1CCC[NH2+]Cc1occc1Br ZINC000735320929 655645276 /nfs/dbraw/zinc/64/52/76/655645276.db2.gz SKQYLXBHEKNEJF-UHFFFAOYSA-N 1 0 384.274 2.777 20 0 GFADRO Cc1nc(Cc2nn(CN3CC[C@H](C[NH+]4CCCC4)C3)c(=S)o2)cs1 ZINC000739875679 655695098 /nfs/dbraw/zinc/69/50/98/655695098.db2.gz HQARYPDBWKAXNB-CQSZACIVSA-N 1 0 379.555 2.937 20 0 GFADRO CN(CC[C@@H]1CCCC[N@@H+]1C)S(=O)(=O)c1c(Cl)nc2sccn21 ZINC000742321131 655715692 /nfs/dbraw/zinc/71/56/92/655715692.db2.gz KIEWALXONGZNAP-NSHDSACASA-N 1 0 376.935 2.544 20 0 GFADRO C[NH+](C)CCN(C(=O)COc1ccc(C=O)cc1Br)C1CCCC1 ZINC000742670444 655720239 /nfs/dbraw/zinc/72/02/39/655720239.db2.gz SINUHEFFAXLCAB-UHFFFAOYSA-N 1 0 397.313 2.973 20 0 GFADRO CC[NH+](CC)[C@@H]1CCN(C(=O)COc2ccc(C=O)cc2Br)C1 ZINC000742900610 655723290 /nfs/dbraw/zinc/72/32/90/655723290.db2.gz CDXDLNWUUIDUCM-CQSZACIVSA-N 1 0 383.286 2.583 20 0 GFADRO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)Nc1ccc(Cl)c(C[S@](C)=O)c1 ZINC000743417278 655728905 /nfs/dbraw/zinc/72/89/05/655728905.db2.gz VCODXOQRHSEQRD-GKVSMKOHSA-N 1 0 386.945 2.950 20 0 GFADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]CCc1ccccc1F ZINC000743763761 655731275 /nfs/dbraw/zinc/73/12/75/655731275.db2.gz PJQIDDLGVBRNOV-CQSZACIVSA-N 1 0 385.892 2.676 20 0 GFADRO O=C1OCCN1CCC[NH2+]C1(c2ccc(Br)cc2)CCOCC1 ZINC000744195300 655736368 /nfs/dbraw/zinc/73/63/68/655736368.db2.gz ANPYTQVBGCRFDQ-UHFFFAOYSA-N 1 0 383.286 2.887 20 0 GFADRO CC[C@@](C)([NH2+]CCCN1C(=O)CS/C1=C\C(=O)OC)c1nc(C)cs1 ZINC000744424230 655739978 /nfs/dbraw/zinc/73/99/78/655739978.db2.gz IZHYSBJBARIIEB-CRPZLVSXSA-N 1 0 383.539 2.646 20 0 GFADRO COC(=O)[C@](C)(NC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C)c1cccc(Br)c1 ZINC000746240667 655759463 /nfs/dbraw/zinc/75/94/63/655759463.db2.gz SEDUSOCJVGAAGK-ZJNRKIDTSA-N 1 0 397.313 2.826 20 0 GFADRO OCCCC[NH+]1CCN(Cc2ncc(-c3ccc(Br)cc3)o2)CC1 ZINC000746488635 655762310 /nfs/dbraw/zinc/76/23/10/655762310.db2.gz WYRIYWSKAOKOTK-UHFFFAOYSA-N 1 0 394.313 2.994 20 0 GFADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]CCCOC1CCCC1 ZINC000747095080 655771611 /nfs/dbraw/zinc/77/16/11/655771611.db2.gz LWJHVIDHLLFVMR-CQSZACIVSA-N 1 0 389.949 2.643 20 0 GFADRO CCC[N@H+](CC)CCNS(=O)(=O)c1cc(C(=O)OC)c(Cl)cc1Cl ZINC000747286798 655776508 /nfs/dbraw/zinc/77/65/08/655776508.db2.gz YWRJRIZUWOICFQ-UHFFFAOYSA-N 1 0 397.324 2.790 20 0 GFADRO O=C(Nc1cc(Cl)cc(Cl)c1)[C@@H]1CCCN1C[C@H](O)C[NH+]1CCCC1 ZINC000747669162 655781642 /nfs/dbraw/zinc/78/16/42/655781642.db2.gz GAEMBESJSPLLHV-SJORKVTESA-N 1 0 386.323 2.853 20 0 GFADRO CC(C)([NH2+]CN1C(=O)N[C@@](C)(C2CC2)C1=O)c1ccc(Br)cc1 ZINC000747789684 655783690 /nfs/dbraw/zinc/78/36/90/655783690.db2.gz MVABZIOJQBSDDC-KRWDZBQOSA-N 1 0 380.286 2.952 20 0 GFADRO C[NH+](C)[C@@]1(CNC(=S)NCc2ccc(Br)cc2)CCSC1 ZINC000748600113 655792753 /nfs/dbraw/zinc/79/27/53/655792753.db2.gz BKFDPENQSBTYLG-OAHLLOKOSA-N 1 0 388.400 2.851 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@H](NS(=O)(=O)Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000749300416 655802915 /nfs/dbraw/zinc/80/29/15/655802915.db2.gz IXGGLQBGBKKELX-UONOGXRCSA-N 1 0 380.432 2.877 20 0 GFADRO O=c1oc2ccc(Br)cc2n1CN1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000749952402 655809409 /nfs/dbraw/zinc/80/94/09/655809409.db2.gz GIWTZEYTNAKKSO-CQSZACIVSA-N 1 0 380.286 2.875 20 0 GFADRO O=c1cc(C[NH+]2CCC(c3cn[nH]c3)CC2)nc2ccc(Br)cn12 ZINC000750478760 655814552 /nfs/dbraw/zinc/81/45/52/655814552.db2.gz YKAAZBVHSZYNMW-UHFFFAOYSA-N 1 0 388.269 2.560 20 0 GFADRO COCCS(=O)(=O)CCC[N@@H+]1CCCCC[C@H]1C[C@H](O)c1cccs1 ZINC000750840376 655817965 /nfs/dbraw/zinc/81/79/65/655817965.db2.gz WNZODHDVJNZKIN-IRXDYDNUSA-N 1 0 389.583 2.868 20 0 GFADRO Cc1c(Cl)cccc1NC(=S)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000751039971 655820710 /nfs/dbraw/zinc/82/07/10/655820710.db2.gz UJNYJTKQRCRXBT-MRXNPFEDSA-N 1 0 382.961 2.878 20 0 GFADRO Cc1ccc(S(=O)(=O)N2CCC([NH2+]Cc3ccc(Cl)nc3)CC2)cc1 ZINC000751504111 655830141 /nfs/dbraw/zinc/83/01/41/655830141.db2.gz ZNZDBOTXYMXAFM-UHFFFAOYSA-N 1 0 379.913 2.986 20 0 GFADRO C[C@@H](NC(=S)NC1CC[NH+](C)CC1)[C@H](O)c1c(Cl)cccc1Cl ZINC000751898007 655835771 /nfs/dbraw/zinc/83/57/71/655835771.db2.gz HPKJMEGAWYJSRX-BMIGLBTASA-N 1 0 376.353 2.974 20 0 GFADRO CCN(C(=O)C[NH2+][C@@H](C)c1csc2ccccc21)[C@@H]1CCS(=O)(=O)C1 ZINC000754740851 655872282 /nfs/dbraw/zinc/87/22/82/655872282.db2.gz ULVOCLASYCKWAB-UONOGXRCSA-N 1 0 380.535 2.588 20 0 GFADRO COCCN(Cc1ccc(Br)s1)C(=S)NCCC[NH+](C)C ZINC000754856594 655875361 /nfs/dbraw/zinc/87/53/61/655875361.db2.gz FHELFVKIRQPYON-UHFFFAOYSA-N 1 0 394.404 2.785 20 0 GFADRO C[C@H](COc1ccccc1)[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000840887563 661198583 /nfs/dbraw/zinc/19/85/83/661198583.db2.gz LHPOBLZMEKXSMF-GFCCVEGCSA-N 1 0 399.310 2.654 20 0 GFADRO O=C(CCC(=O)c1cc(Cl)sc1Cl)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000755262494 655881685 /nfs/dbraw/zinc/88/16/85/655881685.db2.gz YTSHCDJRAMGEIG-GHMZBOCLSA-N 1 0 391.320 2.997 20 0 GFADRO C[C@@H](NC(=S)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1)c1cccs1 ZINC000755396089 655882924 /nfs/dbraw/zinc/88/29/24/655882924.db2.gz FFYYFCZNHNIAIW-VPSFDDGASA-N 1 0 378.611 2.926 20 0 GFADRO CC(C)[N@@H+]1CCCN(Cn2nc(Br)c(=O)c3ccccc32)CC1 ZINC000755734158 655887816 /nfs/dbraw/zinc/88/78/16/655887816.db2.gz RWRYNCLNZCHIMZ-UHFFFAOYSA-N 1 0 379.302 2.533 20 0 GFADRO CC(C)(C)[N@@H+]1CCCN(Cn2nc(Br)c(=O)c3ccccc32)CC1 ZINC000755732816 655887856 /nfs/dbraw/zinc/88/78/56/655887856.db2.gz KWINLJHLMDLWLF-UHFFFAOYSA-N 1 0 393.329 2.923 20 0 GFADRO CC(C)(NC(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccccc1Br ZINC000757642533 655913999 /nfs/dbraw/zinc/91/39/99/655913999.db2.gz SVAJSPICSMBGPK-KGLIPLIRSA-N 1 0 396.329 2.847 20 0 GFADRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)Nc1ccccc1I ZINC000757790239 655916779 /nfs/dbraw/zinc/91/67/79/655916779.db2.gz RTIQONXXUULOAH-IINYFYTJSA-N 1 0 385.249 2.895 20 0 GFADRO Cc1cccc(C(=O)OCC(=O)NC2CC[NH+](C(C)C)CC2)c1Br ZINC000757812709 655917054 /nfs/dbraw/zinc/91/70/54/655917054.db2.gz KWOYNMQXFCMGKJ-UHFFFAOYSA-N 1 0 397.313 2.903 20 0 GFADRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2cc(Br)nn2C)C1 ZINC000757856266 655917528 /nfs/dbraw/zinc/91/75/28/655917528.db2.gz DLAGHLLHPCYBRP-TZMCWYRMSA-N 1 0 377.286 2.748 20 0 GFADRO C[N@H+](CCCNC(=O)C1CCC1)C[C@H](O)c1ccc(F)c(Br)c1 ZINC000759999469 655967303 /nfs/dbraw/zinc/96/73/03/655967303.db2.gz MGUOKSUVWHPNAF-INIZCTEOSA-N 1 0 387.293 2.860 20 0 GFADRO CC[C@H](CNC(=O)c1cnn(C)c1Br)[N@@H+]1CCc2ccccc2C1 ZINC000760176514 655971150 /nfs/dbraw/zinc/97/11/50/655971150.db2.gz CNJISEDGNRFBPL-OAHLLOKOSA-N 1 0 391.313 2.749 20 0 GFADRO CC[NH+]1CCN(CCC(=O)NCC[C@H](O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000760727865 655990448 /nfs/dbraw/zinc/99/04/48/655990448.db2.gz ZGODRZNZAZRJLS-KRWDZBQOSA-N 1 0 388.339 2.561 20 0 GFADRO CC[NH+]1CCC(N2C(=O)N[C@](C)(c3cccc(Br)c3)C2=O)CC1 ZINC000760945336 655995064 /nfs/dbraw/zinc/99/50/64/655995064.db2.gz XWRSCUZYDLPDLM-QGZVFWFLSA-N 1 0 380.286 2.700 20 0 GFADRO C[C@H](CN1C(=O)N[C@@](C)(c2cccc(Br)c2)C1=O)C[NH+]1CCCC1 ZINC000761102799 655998469 /nfs/dbraw/zinc/99/84/69/655998469.db2.gz ZOSDUGJEKVUEDV-UGSOOPFHSA-N 1 0 394.313 2.948 20 0 GFADRO C[N@@H+]1CCC[C@H](CN2C(=O)NC3(CCSCC3)C2=O)[C@@H]1c1cccs1 ZINC000761442015 656015923 /nfs/dbraw/zinc/01/59/23/656015923.db2.gz FJHSLOGQCNCFFQ-UKRRQHHQSA-N 1 0 379.551 2.949 20 0 GFADRO CC(C)[C@@H](SCC[NH+](C(C)C)C(C)C)C(=O)N[C@@]1(C)CCS(=O)(=O)C1 ZINC000762199027 656035884 /nfs/dbraw/zinc/03/58/84/656035884.db2.gz MLUFLHGTQHFCQS-AEFFLSMTSA-N 1 0 392.631 2.556 20 0 GFADRO CC1CC[NH+](CC(=O)NC[C@@](O)(c2ccc(Cl)cc2)C(F)(F)F)CC1 ZINC000762240409 656037205 /nfs/dbraw/zinc/03/72/05/656037205.db2.gz IDBHANOWFCRCPW-MRXNPFEDSA-N 1 0 378.822 2.938 20 0 GFADRO Cn1ccc([C@@H](NC(=S)NC2CC[NH+](C)CC2)c2ccc(Cl)cc2)n1 ZINC000762432593 656041812 /nfs/dbraw/zinc/04/18/12/656041812.db2.gz GFXLUNLWDZYEII-KRWDZBQOSA-N 1 0 377.945 2.721 20 0 GFADRO CS(=O)(=O)CCN1CCC([NH2+]Cc2ccc(F)c(Cl)c2Cl)CC1 ZINC000762443211 656042199 /nfs/dbraw/zinc/04/21/99/656042199.db2.gz XHDWTLWBRMPNPC-UHFFFAOYSA-N 1 0 383.316 2.731 20 0 GFADRO COC(=O)CC[N@@H+](Cc1cccc(Br)c1)C[C@@H]1CC2(CC2)C(=O)O1 ZINC000763789464 656093653 /nfs/dbraw/zinc/09/36/53/656093653.db2.gz OOBSPGHJTDHDHL-HNNXBMFYSA-N 1 0 396.281 2.910 20 0 GFADRO CC[NH+](CC)CCO[C@H]1CCN(Cn2ncc(Br)c2C2CC2)C1 ZINC000765053690 656128214 /nfs/dbraw/zinc/12/82/14/656128214.db2.gz JNGNJZDUSVENOZ-HNNXBMFYSA-N 1 0 385.350 2.913 20 0 GFADRO C[C@H](Cc1ccc(F)c(Br)c1)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000765337262 656140403 /nfs/dbraw/zinc/14/04/03/656140403.db2.gz NJKMKEBMNRXAGD-YUELXQCFSA-N 1 0 399.304 2.746 20 0 GFADRO COC(=O)N1CCC[C@H]([NH2+][C@H](C)c2ccc(S(=O)(=O)C(F)F)cc2)C1 ZINC000765628521 656146177 /nfs/dbraw/zinc/14/61/77/656146177.db2.gz DHFJAVJMKRSPSO-YPMHNXCESA-N 1 0 376.425 2.564 20 0 GFADRO CC[N@@H+]1C[C@H](C)N(C(=O)/C=C/c2ccc(I)o2)C[C@H]1C ZINC000765923727 656154916 /nfs/dbraw/zinc/15/49/16/656154916.db2.gz JBKNARYDCUHEQA-OWVOXGNYSA-N 1 0 388.249 2.839 20 0 GFADRO C[C@H]([NH2+]CC1CCN(S(=O)(=O)C(F)(F)F)CC1)c1ccnc(Cl)c1 ZINC000765937978 656155968 /nfs/dbraw/zinc/15/59/68/656155968.db2.gz YPUHLGQSPUXSIM-JTQLQIEISA-N 1 0 385.839 2.947 20 0 GFADRO CC[N@@H+]1C[C@H](C)N(C(=O)CCN2C(=S)N=NC2c2cccs2)C[C@H]1C ZINC000766249747 656166574 /nfs/dbraw/zinc/16/65/74/656166574.db2.gz PJRHHOUSXWNXNA-OLZOCXBDSA-N 1 0 379.555 2.627 20 0 GFADRO CCN1C(=O)N=NC1C1CC[NH+](C[C@@H](O)c2ccccc2Br)CC1 ZINC000767114907 656194875 /nfs/dbraw/zinc/19/48/75/656194875.db2.gz FWHOVMDODXLKRX-OAHLLOKOSA-N 1 0 395.301 2.679 20 0 GFADRO C[C@@H]1CN(C(=O)Nc2cnc(Br)c(Br)c2)CC[C@H]1[NH3+] ZINC000841141224 661236519 /nfs/dbraw/zinc/23/65/19/661236519.db2.gz HDHXWKHOEJPCSV-GMSGAONNSA-N 1 0 392.095 2.808 20 0 GFADRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)Nc1cnc(Br)c(Br)c1 ZINC000841143428 661238231 /nfs/dbraw/zinc/23/82/31/661238231.db2.gz ZFNYYRSKTYYJCC-GMSGAONNSA-N 1 0 392.095 2.726 20 0 GFADRO O=C(NC[C@@H]1CCCC[NH2+]1)C(=O)Nc1ccc2cc(Br)ccc2c1 ZINC000841159827 661240106 /nfs/dbraw/zinc/24/01/06/661240106.db2.gz NFZFKZNTXBVCCS-INIZCTEOSA-N 1 0 390.281 2.799 20 0 GFADRO CCCN(C(=O)C(=O)Nc1ccccc1SC(F)(F)F)[C@@H]1CC[NH2+]C1 ZINC000841168169 661240992 /nfs/dbraw/zinc/24/09/92/661240992.db2.gz AIQMDOAICKBLBT-LLVKDONJSA-N 1 0 375.416 2.838 20 0 GFADRO Cn1cnnc1C1CC[NH+](Cc2ccccc2I)CC1 ZINC000768767800 656250749 /nfs/dbraw/zinc/25/07/49/656250749.db2.gz NPBAPPPXEPAHQR-UHFFFAOYSA-N 1 0 382.249 2.799 20 0 GFADRO CC[C@@H]1CN(C(=O)C(=O)Nc2ccccc2SC(F)(F)F)CC[C@H]1[NH3+] ZINC000841226848 661245971 /nfs/dbraw/zinc/24/59/71/661245971.db2.gz BUFFLPMBISECPK-GHMZBOCLSA-N 1 0 375.416 2.823 20 0 GFADRO Cc1ccc(/C=C\C(=O)N[C@@H](C)CC[NH+]2CCN(C)CC2)c(Br)c1 ZINC000770173109 656310218 /nfs/dbraw/zinc/31/02/18/656310218.db2.gz LBFFHPNHWVLGEJ-WLMCBFPDSA-N 1 0 394.357 2.913 20 0 GFADRO O=C(OCC[NH+]1CCCCC1)[C@H]1CSCN1C(=O)c1ccc(Cl)cc1 ZINC000770367344 656317234 /nfs/dbraw/zinc/31/72/34/656317234.db2.gz CWXMFDUQTSCQTC-MRXNPFEDSA-N 1 0 382.913 2.884 20 0 GFADRO CC(C)(C)[NH+]1CCC(NC(=O)c2cccnc2I)CC1 ZINC000770485276 656320536 /nfs/dbraw/zinc/32/05/36/656320536.db2.gz JXYUIBAZIGDKDH-UHFFFAOYSA-N 1 0 387.265 2.679 20 0 GFADRO COC(=O)C[C@@]1([NH2+]CC[S@](=O)c2cc(Cl)ccc2Cl)CCCOC1 ZINC000770700822 656327347 /nfs/dbraw/zinc/32/73/47/656327347.db2.gz PYEACPBHFHNDEF-FYSMJZIKSA-N 1 0 394.320 2.803 20 0 GFADRO [NH3+]CC[C@H](NC(=O)NCC[C@@H](O)c1ccc(Cl)c(Cl)c1)C(F)(F)F ZINC000841333661 661252479 /nfs/dbraw/zinc/25/24/79/661252479.db2.gz OXNVPEYOSXMILE-NEPJUHHUSA-N 1 0 388.217 2.996 20 0 GFADRO CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@H]1Cc1ccc(Br)cc1 ZINC000771795770 656362485 /nfs/dbraw/zinc/36/24/85/656362485.db2.gz JKYWFAQKXWDVJS-WFASDCNBSA-N 1 0 382.302 2.690 20 0 GFADRO CC[NH+](CC)CCOC(=O)C[C@H](NC(C)=O)c1ccc(Br)cc1 ZINC000771900782 656365252 /nfs/dbraw/zinc/36/52/52/656365252.db2.gz FEKJKVIQTZZGSC-INIZCTEOSA-N 1 0 385.302 2.901 20 0 GFADRO C[C@@H]1CC[N@H+](CCNC(=O)c2cc(=O)c3cc(Br)ccc3o2)C1 ZINC000841400511 661260696 /nfs/dbraw/zinc/26/06/96/661260696.db2.gz VXGROBPZCFFOFL-LLVKDONJSA-N 1 0 379.254 2.627 20 0 GFADRO O=C([C@@H](O)c1cc(Cl)cc(Cl)c1)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000773420467 656445223 /nfs/dbraw/zinc/44/52/23/656445223.db2.gz YDQOJBGRZGKZKO-IRXDYDNUSA-N 1 0 387.307 2.740 20 0 GFADRO COC[C@H](C)OC[C@@H](O)C[N@@H+]1CCC[C@@H]1Cc1ccc(Br)cc1 ZINC000773525105 656456038 /nfs/dbraw/zinc/45/60/38/656456038.db2.gz JNTJZMDUKXFYGO-QGTPRVQTSA-N 1 0 386.330 2.868 20 0 GFADRO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)CCSc1nc2ccccc2s1 ZINC000841452854 661267015 /nfs/dbraw/zinc/26/70/15/661267015.db2.gz FMCNQHLYTAUMHZ-KBPBESRZSA-N 1 0 379.551 2.692 20 0 GFADRO CCC(CC)[C@@H](CNC(=O)C(=O)Nc1cnc(Br)cc1C)[NH+](C)C ZINC000774241523 656508421 /nfs/dbraw/zinc/50/84/21/656508421.db2.gz RQOKVYLYYMUHSV-CQSZACIVSA-N 1 0 399.333 2.574 20 0 GFADRO CNC(=O)c1ccc(C[NH2+]C[C@@H](O)c2ccc(F)c(Br)c2)cc1 ZINC000774606291 656540144 /nfs/dbraw/zinc/54/01/44/656540144.db2.gz YMACZSJOLAEEKO-MRXNPFEDSA-N 1 0 381.245 2.771 20 0 GFADRO COCCC[N@H+](C)CCNC(=O)Nc1nnc(-c2cccc(Cl)c2)s1 ZINC000775817604 656683371 /nfs/dbraw/zinc/68/33/71/656683371.db2.gz GMDXUOOCXAMCSG-UHFFFAOYSA-N 1 0 383.905 2.948 20 0 GFADRO CS[C@@H]1CN(Cc2ccc(S(=O)(=O)C(F)F)cc2)C[C@H]1[NH+]1CCCC1 ZINC000776485305 656746452 /nfs/dbraw/zinc/74/64/52/656746452.db2.gz QGMUOGPFLVRQCZ-HZPDHXFCSA-N 1 0 390.521 2.695 20 0 GFADRO Cc1ccc(C[N@@H+]2CCCN(C(=O)COC(=O)C(C)(Cl)Cl)CC2)cc1 ZINC000777218710 656814762 /nfs/dbraw/zinc/81/47/62/656814762.db2.gz KFCCIURJIBTIJW-UHFFFAOYSA-N 1 0 387.307 2.766 20 0 GFADRO C[C@H]1C[NH+](CCCCNC(=O)c2scnc2Br)C[C@H](C)O1 ZINC000777868437 656840228 /nfs/dbraw/zinc/84/02/28/656840228.db2.gz WFTFAIIHMBKKKQ-QWRGUYRKSA-N 1 0 376.320 2.525 20 0 GFADRO CNC(=O)C1([NH2+]Cc2cnn(-c3ccc(Br)cc3)c2)CCCC1 ZINC000779176098 656903052 /nfs/dbraw/zinc/90/30/52/656903052.db2.gz JXZFQYURCUFCQJ-UHFFFAOYSA-N 1 0 377.286 2.783 20 0 GFADRO CNC(=O)C1([NH2+]Cc2cc(Br)c3c(c2)OCCCO3)CCCC1 ZINC000779176397 656903525 /nfs/dbraw/zinc/90/35/25/656903525.db2.gz MDORAUPYOQNSHS-UHFFFAOYSA-N 1 0 383.286 2.759 20 0 GFADRO C[NH+](C)C[C@H]1CN(C(=O)c2nc(Br)cs2)c2ccccc2O1 ZINC000779813374 656944647 /nfs/dbraw/zinc/94/46/47/656944647.db2.gz UGDLUTGMONVAHB-JTQLQIEISA-N 1 0 382.283 2.875 20 0 GFADRO COC(=O)c1sc(N2CCC(CCC[NH+]3CCOCC3)CC2)nc1Cl ZINC000779915750 656964124 /nfs/dbraw/zinc/96/41/24/656964124.db2.gz XCAYKLBEJPDAQP-UHFFFAOYSA-N 1 0 387.933 2.912 20 0 GFADRO O=C(NC[C@H]1CC1(Cl)Cl)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000779976931 656973495 /nfs/dbraw/zinc/97/34/95/656973495.db2.gz JBWKSAAJUPYMNF-OAHLLOKOSA-N 1 0 378.344 2.714 20 0 GFADRO COC(=O)/C=C1\SCC(=O)N1CCC[N@@H+]1C[C@H](C(F)(F)F)CC[C@H]1C ZINC000780386594 657002760 /nfs/dbraw/zinc/00/27/60/657002760.db2.gz VXGDKZGMRRXDDX-SFSBLMAYSA-N 1 0 380.432 2.629 20 0 GFADRO CCO[C@@H]1C[C@@](CO)([NH2+]Cc2ccccc2I)C1(C)C ZINC000780590017 657015540 /nfs/dbraw/zinc/01/55/40/657015540.db2.gz KSQZJIYDQFCTFM-ZBFHGGJFSA-N 1 0 389.277 2.947 20 0 GFADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3cn(C(C)(C)C)nc3Br)CC[C@H]21 ZINC000780649784 657021124 /nfs/dbraw/zinc/02/11/24/657021124.db2.gz NYNAUGGNYSANQG-TZMCWYRMSA-N 1 0 383.334 2.957 20 0 GFADRO COC(=O)c1cc(S(=O)(=O)NC[C@@H](C)[NH+]2CCCC2)c(Cl)cc1Cl ZINC000780704324 657024116 /nfs/dbraw/zinc/02/41/16/657024116.db2.gz NILSKNJAOXHTHO-SNVBAGLBSA-N 1 0 395.308 2.543 20 0 GFADRO C[C@@H](CNS(=O)(=O)c1ccc(OCC(F)(F)F)cc1)[NH+]1CCCCC1 ZINC000780715306 657024986 /nfs/dbraw/zinc/02/49/86/657024986.db2.gz ITJIPEOSSFYBNN-ZDUSSCGKSA-N 1 0 380.432 2.780 20 0 GFADRO COc1cc(/C=C/C(=O)N2CC[C@@H](C[NH+](C)C)C2)cc(Br)c1O ZINC000781406688 657054668 /nfs/dbraw/zinc/05/46/68/657054668.db2.gz QZAIXQBNMNWQID-IHVVCDCBSA-N 1 0 383.286 2.587 20 0 GFADRO CC1(C)CN(C(=O)Cc2ccc(Cl)cc2Br)CC[N@@H+]1CCO ZINC000781675935 657071801 /nfs/dbraw/zinc/07/18/01/657071801.db2.gz BBIZUAOICRFTOM-UHFFFAOYSA-N 1 0 389.721 2.560 20 0 GFADRO O=C(c1cnn(-c2ccccc2)c1Br)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000782170008 657109584 /nfs/dbraw/zinc/10/95/84/657109584.db2.gz PBJGQZZTJUVWDE-HNNXBMFYSA-N 1 0 389.297 2.945 20 0 GFADRO NC(=O)[C@@H]1CCCC[C@H]1[NH2+]Cc1nnc(-c2ccc(Br)s2)o1 ZINC000782536442 657155660 /nfs/dbraw/zinc/15/56/60/657155660.db2.gz ZXYDNEZJYHWFSW-RKDXNWHRSA-N 1 0 385.287 2.694 20 0 GFADRO COc1cc(/C=C/C(=O)NCC2([NH+](C)C)CCC2)cc(Br)c1O ZINC000783750866 657258846 /nfs/dbraw/zinc/25/88/46/657258846.db2.gz ACETVRVMOWWTRP-AATRIKPKSA-N 1 0 383.286 2.777 20 0 GFADRO C[C@H]1CCC[N@@H+]1CCNC(=O)[C@H]1CCN(c2cc(Cl)ccc2Cl)C1=O ZINC000783918220 657273025 /nfs/dbraw/zinc/27/30/25/657273025.db2.gz GHDJZIUJGYSQOP-GXTWGEPZSA-N 1 0 384.307 2.947 20 0 GFADRO C[C@H]1CCC[N@@H+]1CCNC(=O)c1cnn(-c2ccccc2)c1Br ZINC000783920758 657274199 /nfs/dbraw/zinc/27/41/99/657274199.db2.gz OKFSWFGEGHLIBN-ZDUSSCGKSA-N 1 0 377.286 2.849 20 0 GFADRO Cn1nc(Br)cc1CNc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000785431372 657364234 /nfs/dbraw/zinc/36/42/34/657364234.db2.gz GJTPIWIXPSHPMN-UHFFFAOYSA-N 1 0 379.302 2.669 20 0 GFADRO Cn1nc(Br)cc1C[NH2+]C[C@@H](CO)Cc1cc(F)c(F)c(F)c1 ZINC000785522918 657371990 /nfs/dbraw/zinc/37/19/90/657371990.db2.gz XSRYBALERDNHQU-JTQLQIEISA-N 1 0 392.219 2.541 20 0 GFADRO Cc1ccccc1[C@H]([C@@H](C)NC(=O)c1cnn(C)c1Br)[NH+](C)C ZINC000785855935 657390696 /nfs/dbraw/zinc/39/06/96/657390696.db2.gz KOOSMSIXXGPGIP-DOMZBBRYSA-N 1 0 379.302 2.912 20 0 GFADRO O=C1OCCN1CC[N@@H+](Cc1cccc(Br)c1)C1CCOCC1 ZINC000786441601 657428699 /nfs/dbraw/zinc/42/86/99/657428699.db2.gz KPVSSOUFHMTBBN-UHFFFAOYSA-N 1 0 383.286 2.882 20 0 GFADRO O=C(Cc1ccc(Br)c(Cl)c1)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000786849295 657474289 /nfs/dbraw/zinc/47/42/89/657474289.db2.gz HBILIFQLFKOIIQ-QWHCGFSZSA-N 1 0 387.705 2.624 20 0 GFADRO C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1[NH2+]Cc1ccc(S(C)(=O)=O)s1 ZINC000786964185 657497642 /nfs/dbraw/zinc/49/76/42/657497642.db2.gz VTKQXVQJPTUWQJ-JSGCOSHPSA-N 1 0 388.555 2.887 20 0 GFADRO C[N@@H+]1CCC[C@@H](N2CCN(Cc3ccc(Cl)nc3C(F)(F)F)CC2)C1 ZINC000787264954 657534763 /nfs/dbraw/zinc/53/47/63/657534763.db2.gz OHZDVMJSFXFQEN-CQSZACIVSA-N 1 0 376.854 2.966 20 0 GFADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@](C)(O)c1ccc(F)cc1 ZINC000787762516 657595192 /nfs/dbraw/zinc/59/51/92/657595192.db2.gz LNXGDDZVCOZCCF-PXAZEXFGSA-N 1 0 383.261 2.636 20 0 GFADRO COc1cc(C(=O)N2C[C@@H]([NH+](C)C)Cc3ccccc32)cnc1Br ZINC000788447004 657718958 /nfs/dbraw/zinc/71/89/58/657718958.db2.gz OQPUCEPCIJLABN-AWEZNQCLSA-N 1 0 390.281 2.986 20 0 GFADRO C[C@@H]([NH2+]CCOc1ccc(S(=O)(=O)C(F)(F)F)cc1)[C@]1(C)CCCO1 ZINC000788690131 657773925 /nfs/dbraw/zinc/77/39/25/657773925.db2.gz WHGLQYZEFHYQNN-DOMZBBRYSA-N 1 0 381.416 2.906 20 0 GFADRO COc1nc(Br)ccc1NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000789383115 657846148 /nfs/dbraw/zinc/84/61/48/657846148.db2.gz CMOKCWWOGSHWTP-YOGCLGLASA-N 1 0 383.290 2.990 20 0 GFADRO COC(=O)c1c2cnn(C[N@@H+]3CCC[C@H]3C[C@H](C)O)c2ccc1Br ZINC000790442778 657978683 /nfs/dbraw/zinc/97/86/83/657978683.db2.gz PTXXQOPKILZDHG-RYUDHWBXSA-N 1 0 396.285 2.778 20 0 GFADRO Cc1c(Br)cccc1CC(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000790647413 658007877 /nfs/dbraw/zinc/00/78/77/658007877.db2.gz JOSGMDJYPKOCJV-KRWDZBQOSA-N 1 0 394.357 2.538 20 0 GFADRO C[NH+](C)C[C@H]1CN(C(=O)c2nc(Br)ccc2F)c2ccccc2O1 ZINC000791640975 658150130 /nfs/dbraw/zinc/15/01/30/658150130.db2.gz JWGUGCPJYHIMCF-NSHDSACASA-N 1 0 394.244 2.953 20 0 GFADRO CCS(=O)(=O)c1ccc(Cl)c(C(=O)NCC(C)(C)C[NH+]2CCCC2)c1 ZINC000791894685 658201025 /nfs/dbraw/zinc/20/10/25/658201025.db2.gz IVTWITHVUHYLLN-UHFFFAOYSA-N 1 0 386.945 2.985 20 0 GFADRO CC(C)[NH+]1CCN(CCCOC(=O)c2nc(Br)ccc2F)CC1 ZINC000792274317 658260617 /nfs/dbraw/zinc/26/06/17/658260617.db2.gz ZMMHNWJDOGTGBQ-UHFFFAOYSA-N 1 0 388.281 2.556 20 0 GFADRO CC[N@H+](CCNC(=O)c1nc(Br)ccc1F)CCC(F)(F)F ZINC000792481630 658288431 /nfs/dbraw/zinc/28/84/31/658288431.db2.gz XVEYJDKPTKHWOI-UHFFFAOYSA-N 1 0 386.187 2.987 20 0 GFADRO COc1cc(/C=C/C(=O)N2C[C@@H]3CC[N@H+](C)C[C@@H]3C2)cc(Br)c1O ZINC000793925578 658458386 /nfs/dbraw/zinc/45/83/86/658458386.db2.gz CXLOCNFZCZXMFR-PUWCWTCHSA-N 1 0 395.297 2.587 20 0 GFADRO Cc1ccc(NC(=O)N2CC[N@H+](C3CCOCC3)C[C@@H]2C)nc1Br ZINC000794363693 658531781 /nfs/dbraw/zinc/53/17/81/658531781.db2.gz MBMMGQHYLPMSCG-ZDUSSCGKSA-N 1 0 397.317 2.870 20 0 GFADRO C[N@H+](C[C@@H](O)COc1ccc(Cl)cc1Br)C1(CO)CCC1 ZINC000795191903 658707569 /nfs/dbraw/zinc/70/75/69/658707569.db2.gz JDUHHKNYCFNKDB-GFCCVEGCSA-N 1 0 378.694 2.689 20 0 GFADRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1Cn1c(=O)oc2cccc(Br)c21 ZINC000795708157 658843579 /nfs/dbraw/zinc/84/35/79/658843579.db2.gz RSFXMFFTAFWWHE-STQMWFEESA-N 1 0 380.286 2.873 20 0 GFADRO O=C(NCC[NH2+]CC1CCC2(CC1)OCCO2)c1ccc(Br)cc1 ZINC000795903920 658870302 /nfs/dbraw/zinc/87/03/02/658870302.db2.gz QRRKRWQOZDTEPP-UHFFFAOYSA-N 1 0 397.313 2.702 20 0 GFADRO Cc1cc(Br)cc(C)c1N1CCC[C@H]([NH2+][C@H](CO)C2CC2)C1=O ZINC000795990674 658879102 /nfs/dbraw/zinc/87/91/02/658879102.db2.gz AMSUEVKIBHPBAO-JKSUJKDBSA-N 1 0 381.314 2.922 20 0 GFADRO C[C@@H](C[C@H](O)c1ccco1)[NH2+]Cc1ncc(I)s1 ZINC000796341554 658913213 /nfs/dbraw/zinc/91/32/13/658913213.db2.gz PVLIWDRMDIKQNA-IUCAKERBSA-N 1 0 378.235 2.943 20 0 GFADRO CCN(CCOc1c(Br)cccc1Br)CC(=O)NC ZINC000796457974 658918336 /nfs/dbraw/zinc/91/83/36/658918336.db2.gz SBOLGXBWFOPEFK-UHFFFAOYSA-N 1 0 394.107 2.658 20 0 GFADRO Cc1cc(C[NH2+]C[C@H]2CCCCN2S(C)(=O)=O)cc(C)c1OC(F)F ZINC000796514334 658921165 /nfs/dbraw/zinc/92/11/65/658921165.db2.gz YEAIMZYOAWKEJY-OAHLLOKOSA-N 1 0 376.469 2.809 20 0 GFADRO C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1[NH2+]CCn1cc(Br)cn1 ZINC000797101859 658979457 /nfs/dbraw/zinc/97/94/57/658979457.db2.gz WLHIQEIBFKODJN-OCCSQVGLSA-N 1 0 387.322 2.881 20 0 GFADRO OCC[N@@H+](Cc1ccc(Br)s1)C[C@H](O)c1ccc(F)cn1 ZINC000799322423 659180900 /nfs/dbraw/zinc/18/09/00/659180900.db2.gz IFAFDJLVMAYGFQ-ZDUSSCGKSA-N 1 0 375.263 2.573 20 0 GFADRO CC(C)[NH+]1CCC(NC(=O)NC[C@H](O)c2cccc(Br)c2)CC1 ZINC000799858329 659236857 /nfs/dbraw/zinc/23/68/57/659236857.db2.gz RSTZRKSQLMHBLH-INIZCTEOSA-N 1 0 384.318 2.655 20 0 GFADRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)NC[C@H](O)c2cccc(Br)c2)C1 ZINC000799959599 659251130 /nfs/dbraw/zinc/25/11/30/659251130.db2.gz IBNSRIUJGONZIZ-PMPSAXMXSA-N 1 0 384.318 2.655 20 0 GFADRO CN(CC(=O)OCCC[NH+]1CCCC1)C(=O)c1ccc(Br)s1 ZINC000800143290 659276636 /nfs/dbraw/zinc/27/66/36/659276636.db2.gz WEUOLAYLKPVQBA-UHFFFAOYSA-N 1 0 389.315 2.612 20 0 GFADRO CC[NH+](CC)CCCOC(=O)c1ccc(OC)c(I)n1 ZINC000800194058 659290156 /nfs/dbraw/zinc/29/01/56/659290156.db2.gz TWFHORLDVSKOSJ-UHFFFAOYSA-N 1 0 392.237 2.584 20 0 GFADRO O=C(OCCC[NH+]1CCCC1)c1ccc(I)c(O)c1 ZINC000800201340 659291073 /nfs/dbraw/zinc/29/10/73/659291073.db2.gz GIQQIBHXJKKQRA-UHFFFAOYSA-N 1 0 375.206 2.640 20 0 GFADRO Cc1nn(C)c2ncc(C[NH2+]C[C@H](O)c3cccc(Br)c3)cc12 ZINC000800289217 659298789 /nfs/dbraw/zinc/29/87/89/659298789.db2.gz HALKAVWTHNSQEB-INIZCTEOSA-N 1 0 375.270 2.862 20 0 GFADRO Cc1nn(C)c(Br)c1C(=O)NCC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000801090139 659367226 /nfs/dbraw/zinc/36/72/26/659367226.db2.gz UCZKTTUYODLFDJ-VXGBXAGGSA-N 1 0 385.350 2.977 20 0 GFADRO C[C@H](CNC(=O)NC[C@@H](O)c1cccc(Br)c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000801750064 659421785 /nfs/dbraw/zinc/42/17/85/659421785.db2.gz KOCSHAOYJQRVFL-CKEIUWERSA-N 1 0 398.345 2.902 20 0 GFADRO C[C@@H](CNC(=O)NC[C@@H](O)c1cccc(Br)c1)C[NH+]1CCCC1 ZINC000801755085 659423505 /nfs/dbraw/zinc/42/35/05/659423505.db2.gz MYUFIEQYMHIQNN-XJKSGUPXSA-N 1 0 384.318 2.514 20 0 GFADRO CC(C)[N@@H+]1CCO[C@H](COC(=O)[C@H](C)Oc2ccc(Br)cc2)C1 ZINC000802140885 659448544 /nfs/dbraw/zinc/44/85/44/659448544.db2.gz MYLZKBPDUBZDNX-BBRMVZONSA-N 1 0 386.286 2.869 20 0 GFADRO C[C@@H]([NH2+]C[C@@H](O)c1cccc(Br)c1)c1cccc(-n2cnnn2)c1 ZINC000802316078 659476429 /nfs/dbraw/zinc/47/64/29/659476429.db2.gz IKCXZDCGLYALAU-SJKOYZFVSA-N 1 0 388.269 2.809 20 0 GFADRO C[C@H](CCNS(=O)(=O)c1ccccc1)[NH2+][C@@H]1CC[C@H]2SCCS[C@H]12 ZINC000802660273 659493487 /nfs/dbraw/zinc/49/34/87/659493487.db2.gz GXCLUWNZDBLXNG-MWQQHZPXSA-N 1 0 386.608 2.713 20 0 GFADRO CC[NH+](CC)CCOC(=O)c1cccc(NC(=O)[C@@H]2CSCCS2)c1 ZINC000803660775 659595973 /nfs/dbraw/zinc/59/59/73/659595973.db2.gz CSDQWLBOERECRE-INIZCTEOSA-N 1 0 382.551 2.972 20 0 GFADRO COc1ccc(C(=O)OC[C@@H]2C[N@H+](CC(C)C)CCO2)cc1Br ZINC000804592584 659661221 /nfs/dbraw/zinc/66/12/21/659661221.db2.gz QQBJFPGOLUKFHK-AWEZNQCLSA-N 1 0 386.286 2.971 20 0 GFADRO O=S(=O)(NCc1ccc(C[NH+]2CCCC2)cc1)c1cnc(Cl)c(F)c1 ZINC000804940464 659699292 /nfs/dbraw/zinc/69/92/92/659699292.db2.gz DPNJQFNYXZOSQC-UHFFFAOYSA-N 1 0 383.876 2.948 20 0 GFADRO C[C@H]([NH2+]C[C@H](O)Cc1cccc(Cl)c1)c1cccc(NS(C)(=O)=O)c1 ZINC000805748756 659807038 /nfs/dbraw/zinc/80/70/38/659807038.db2.gz GCFHIFYIJFEONI-SCLBCKFNSA-N 1 0 382.913 2.966 20 0 GFADRO COc1nc(Br)ccc1NC(=O)N1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC000806451596 659832531 /nfs/dbraw/zinc/83/25/31/659832531.db2.gz QONCARCJTCCDDQ-NEPJUHHUSA-N 1 0 383.290 2.943 20 0 GFADRO C[NH+](C)[C@@]1(CNC(=O)[C@]2(C)CC(c3ccccc3Cl)=NO2)CCSC1 ZINC000807002833 659846176 /nfs/dbraw/zinc/84/61/76/659846176.db2.gz QLFCVVMERNLWDI-ZWKOTPCHSA-N 1 0 381.929 2.777 20 0 GFADRO C[N@H+](Cc1ccccc1)C1CN(C(=O)N[C@@H]2CC[C@H]3SCCS[C@@H]23)C1 ZINC000807040225 659846655 /nfs/dbraw/zinc/84/66/55/659846655.db2.gz OHLOELZFHFXOPB-KURKYZTESA-N 1 0 377.579 2.892 20 0 GFADRO Clc1cccc2c1CCN(CC[NH2+]Cc1cnc(C3OCCO3)s1)C2 ZINC000809649690 659935168 /nfs/dbraw/zinc/93/51/68/659935168.db2.gz AHDQDGIVGSCKCZ-UHFFFAOYSA-N 1 0 379.913 2.990 20 0 GFADRO C[C@@H]1C[C@@H](N2CCOCC2)C[N@@H+]1Cc1ccccc1I ZINC000809700668 659936431 /nfs/dbraw/zinc/93/64/31/659936431.db2.gz LQGYMCHKUSNLRW-UKRRQHHQSA-N 1 0 386.277 2.586 20 0 GFADRO CCCS(=O)(=O)N1CCC([NH2+][C@H](C)c2ccc(Br)nc2)CC1 ZINC000810209430 659966377 /nfs/dbraw/zinc/96/63/77/659966377.db2.gz RAFPBPRSTNTFFK-GFCCVEGCSA-N 1 0 390.347 2.699 20 0 GFADRO COC[C@H]([NH2+]CCNS(=O)(=O)Cc1ccccc1)c1cccc(Cl)c1 ZINC000810211144 659966780 /nfs/dbraw/zinc/96/67/80/659966780.db2.gz NTCDVJXKTZBYGV-SFHVURJKSA-N 1 0 382.913 2.737 20 0 GFADRO CC(C)C[N@@H+]1Cc2cccc(NC(=O)c3c(Br)nnn3C)c2C1 ZINC000810658864 659982052 /nfs/dbraw/zinc/98/20/52/659982052.db2.gz KBYROVLSBATIRC-UHFFFAOYSA-N 1 0 378.274 2.802 20 0 GFADRO Cc1cc(Br)ccc1C(=O)O[C@H]1CCCN(c2cc[nH+]c(N)n2)C1 ZINC000810771325 659985360 /nfs/dbraw/zinc/98/53/60/659985360.db2.gz PFBMMTAZSITLAI-ZDUSSCGKSA-N 1 0 391.269 2.956 20 0 GFADRO O=C(NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1)NOC/C=C/Cl ZINC000811877129 660017093 /nfs/dbraw/zinc/01/70/93/660017093.db2.gz FSLBMVGESOAOFZ-QHHAFSJGSA-N 1 0 387.311 2.835 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(C(=O)C[C@H]3Sc4ccc(Cl)cc4NC3=O)C[C@@H]2C1 ZINC000812334512 660024749 /nfs/dbraw/zinc/02/47/49/660024749.db2.gz RXLFNYVAPJJMKF-BFQNTYOBSA-N 1 0 379.913 2.553 20 0 GFADRO CS(=O)(=O)[C@H]1CCC[C@H]([NH2+]Cc2c(F)ccc(C3OCCO3)c2Cl)C1 ZINC000812833913 660035530 /nfs/dbraw/zinc/03/55/30/660035530.db2.gz DCIULIONMTXMPK-RYUDHWBXSA-N 1 0 391.892 2.970 20 0 GFADRO CC1(C)OCC(CO)([NH2+]CCOc2ccc(Cl)cc2Br)CO1 ZINC000812838768 660035789 /nfs/dbraw/zinc/03/57/89/660035789.db2.gz VXNYRPQJYZIBJY-UHFFFAOYSA-N 1 0 394.693 2.585 20 0 GFADRO C[C@H]([NH2+]CC[C@@H]1CCOC1=O)c1ccc(Br)cc1OCCCO ZINC000812885314 660036171 /nfs/dbraw/zinc/03/61/71/660036171.db2.gz OUGIIEVTIIWRJI-QWHCGFSZSA-N 1 0 386.286 2.814 20 0 GFADRO O=C(c1nc(C2CC2)ncc1Br)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000813814229 660065222 /nfs/dbraw/zinc/06/52/22/660065222.db2.gz KVXNWLOVWSTJNF-GFCCVEGCSA-N 1 0 379.302 2.674 20 0 GFADRO Cn1cc(Br)c(COC(=O)CC[N@@H+]2CCc3ccccc3C2)n1 ZINC000814470258 660085342 /nfs/dbraw/zinc/08/53/42/660085342.db2.gz KBBWSERZBOHCDC-UHFFFAOYSA-N 1 0 378.270 2.674 20 0 GFADRO Cc1nc2n(n1)C[C@@H]([NH2+]C[C@](C)(O)c1ccc(Br)cc1Cl)CC2 ZINC000815040591 660105775 /nfs/dbraw/zinc/10/57/75/660105775.db2.gz IEMLJENVSISMAD-LRDDRELGSA-N 1 0 399.720 2.815 20 0 GFADRO CC[C@H]([NH2+]Cc1ccnc(Br)c1)c1cccc(S(N)(=O)=O)c1 ZINC000815082797 660110372 /nfs/dbraw/zinc/11/03/72/660110372.db2.gz FUVZTDGBDKGZRN-AWEZNQCLSA-N 1 0 384.299 2.732 20 0 GFADRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1cn2c(Br)cnc2s1 ZINC000816649509 660164118 /nfs/dbraw/zinc/16/41/18/660164118.db2.gz ANZARFZUQUWEOS-QWRGUYRKSA-N 1 0 383.315 2.857 20 0 GFADRO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1ccnc(Cl)c1I ZINC000816767791 660168176 /nfs/dbraw/zinc/16/81/76/660168176.db2.gz GCEGJNLHLVTETN-SCZZXKLOSA-N 1 0 393.656 2.504 20 0 GFADRO C[C@H]1[C@@H](C)[N@@H+](CN2C(=O)C(=O)N(c3ccc(Br)cc3)C2=O)C[C@H]1C ZINC000841689269 661308902 /nfs/dbraw/zinc/30/89/02/661308902.db2.gz IUUPIOIFHHSLJN-IJLUTSLNSA-N 1 0 394.269 2.678 20 0 GFADRO O=C(NCCCc1cccc(Br)c1)N[C@@H]1C[NH2+]CCC1(F)F ZINC000841797268 661313978 /nfs/dbraw/zinc/31/39/78/661313978.db2.gz XTYUKWNXGXPXKU-CYBMUJFWSA-N 1 0 376.245 2.678 20 0 GFADRO C[C@]1(CCNC(=O)N2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)CC1(Cl)Cl ZINC000841913507 661317776 /nfs/dbraw/zinc/31/77/76/661317776.db2.gz RLOCTFFHCZPEJN-YCPHGPKFSA-N 1 0 378.344 2.888 20 0 GFADRO O=C(NC[C@@H]1CCC[NH2+]C1)N1CCO[C@H](c2ccccc2Br)C1 ZINC000841924274 661317809 /nfs/dbraw/zinc/31/78/09/661317809.db2.gz VRFNHRAKAUIUEU-CJNGLKHVSA-N 1 0 382.302 2.532 20 0 GFADRO CN(C[C@H](O)c1ccccc1Br)C(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000842006509 661319824 /nfs/dbraw/zinc/31/98/24/661319824.db2.gz TXQHHYACMIJJFI-CJNGLKHVSA-N 1 0 384.318 2.656 20 0 GFADRO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1cnc(Cl)c(C(F)(F)F)c1 ZINC000842202948 661326843 /nfs/dbraw/zinc/32/68/43/661326843.db2.gz MZJFPSCDZRWYJV-VIFPVBQESA-N 1 0 380.798 2.539 20 0 GFADRO CC(C)[N@H+](C)C[C@@H](C)NC(=O)C(=O)Nc1cnc(Cl)c(C(F)(F)F)c1 ZINC000842211162 661328327 /nfs/dbraw/zinc/32/83/27/661328327.db2.gz LXXODUBDHOBCKN-SECBINFHSA-N 1 0 380.798 2.537 20 0 GFADRO [NH3+]CCC[C@H](NS(=O)(=O)c1ccc(Cl)c2nonc21)c1ccccc1 ZINC000842482952 661341570 /nfs/dbraw/zinc/34/15/70/661341570.db2.gz XPHYBHFRCFUGFS-ZDUSSCGKSA-N 1 0 380.857 2.635 20 0 GFADRO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(S(=O)(=O)/C=C/c2ccc(Cl)cc2)CC1 ZINC000842485505 661341782 /nfs/dbraw/zinc/34/17/82/661341782.db2.gz IRGBVVOIYZLZNA-LJXZRRFRSA-N 1 0 384.929 2.859 20 0 GFADRO O=C([C@@H](c1ccc(Br)cc1)N1CCCC1)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000842511439 661342810 /nfs/dbraw/zinc/34/28/10/661342810.db2.gz ASFXMPNSLHCTES-MJGOQNOKSA-N 1 0 392.341 2.941 20 0 GFADRO C[NH2+]C[C@H](C)c1noc(-c2nnn(-c3cccc(Br)c3)c2C)n1 ZINC000842583890 661344303 /nfs/dbraw/zinc/34/43/03/661344303.db2.gz XBSAOTVHEWFECW-VIFPVBQESA-N 1 0 377.246 2.711 20 0 GFADRO O=C1c2ccc(Br)cc2C(=O)N1C[N@@H+]1CCC[C@@H]1[C@H]1CCCOC1 ZINC000842615279 661345338 /nfs/dbraw/zinc/34/53/38/661345338.db2.gz LMHTVFQNHLWVOR-BLLLJJGKSA-N 1 0 393.281 2.894 20 0 GFADRO COc1ccc2nc(Cl)ccc2c1S(=O)(=O)N1CCC([C@@H](C)[NH3+])CC1 ZINC000842706275 661350423 /nfs/dbraw/zinc/35/04/23/661350423.db2.gz BTWCUDXBWJYUBR-LLVKDONJSA-N 1 0 383.901 2.645 20 0 GFADRO COc1ccc2nc(Cl)ccc2c1S(=O)(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000842722516 661350932 /nfs/dbraw/zinc/35/09/32/661350932.db2.gz QPVLERUSVFAWAU-RYUDHWBXSA-N 1 0 383.901 2.645 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H]2CN(S(=O)(=O)/C=C\c3cccc(Br)c3)C[C@H]21 ZINC000842792164 661354371 /nfs/dbraw/zinc/35/43/71/661354371.db2.gz AQSZEPPITSINAW-GORQFHSWSA-N 1 0 385.327 2.809 20 0 GFADRO [NH3+]CCCN(CC1CCCC1)S(=O)(=O)c1cc2c(cc1Cl)CCC2=O ZINC000842859279 661357477 /nfs/dbraw/zinc/35/74/77/661357477.db2.gz DTFBHFBQOGZMNG-UHFFFAOYSA-N 1 0 384.929 2.999 20 0 GFADRO CC(C)C[C@@H](O)C[NH2+]C[C@H](O)COc1ccc(Cl)cc1Br ZINC000843067860 661365948 /nfs/dbraw/zinc/36/59/48/661365948.db2.gz BZSTYXIFIGAREU-OLZOCXBDSA-N 1 0 380.710 2.839 20 0 GFADRO COc1cccc([C@@H](O)C[NH2+]C[C@H](O)COc2ccc(Br)cc2)c1 ZINC000843070020 661366103 /nfs/dbraw/zinc/36/61/03/661366103.db2.gz VCVIOXYXIODHHF-YJBOKZPZSA-N 1 0 396.281 2.521 20 0 GFADRO CN(C[C@@H](O)C[NH2+]C[C@@H](O)c1ccc(Cl)cc1Cl)C(=O)OC(C)(C)C ZINC000843075790 661366787 /nfs/dbraw/zinc/36/67/87/661366787.db2.gz PFHNLJZVUGOLRJ-SWLSCSKDSA-N 1 0 393.311 2.844 20 0 GFADRO O[C@H](C[NH2+]C[C@@H](O)c1ccccc1Br)COCc1cccs1 ZINC000843096501 661367651 /nfs/dbraw/zinc/36/76/51/661367651.db2.gz TXXHTPKMTQPPKC-MLGOLLRUSA-N 1 0 386.311 2.711 20 0 GFADRO Cc1ccccc1OC[C@H](O)C[NH2+]C[C@H](O)c1ccccc1Br ZINC000843097406 661367678 /nfs/dbraw/zinc/36/76/78/661367678.db2.gz ZCHWKFPJWTYMCB-PBHICJAKSA-N 1 0 380.282 2.820 20 0 GFADRO OC[C@H](C[C@@H](O)c1ccccc1)[NH2+]C[C@@H](O)c1ccc(F)c(Br)c1 ZINC000843106688 661368306 /nfs/dbraw/zinc/36/83/06/661368306.db2.gz KVJNXYQTDKQFSE-BMGDILEWSA-N 1 0 398.272 2.696 20 0 GFADRO C[C@](O)(C[NH2+]C[C@H](CO)Cc1cccnc1)c1ccc(Br)cc1F ZINC000843108587 661368310 /nfs/dbraw/zinc/36/83/10/661368310.db2.gz ADOWPOYLKXPIEX-KDOFPFPSSA-N 1 0 397.288 2.632 20 0 GFADRO O[C@H](C[NH2+]C[C@H]1CCC2(CCOCC2)[C@@H]1O)c1cccc(Br)c1 ZINC000843112315 661368932 /nfs/dbraw/zinc/36/89/32/661368932.db2.gz GTRSTUJROMZZSD-DJIMGWMZSA-N 1 0 384.314 2.640 20 0 GFADRO OCC[C@H](Cc1ccccc1)[NH2+]C[C@H](O)COc1cccc(Br)c1 ZINC000843115246 661369468 /nfs/dbraw/zinc/36/94/68/661369468.db2.gz SIAUDHQXTYKZTN-MSOLQXFVSA-N 1 0 394.309 2.772 20 0 GFADRO Cc1ccccc1OC[C@H](O)C[NH2+]C[C@H](O)c1cccc(Br)c1 ZINC000843116991 661369628 /nfs/dbraw/zinc/36/96/28/661369628.db2.gz XRGWDXJOORCQOU-SJORKVTESA-N 1 0 380.282 2.820 20 0 GFADRO O[C@H](C[NH2+][C@H]1COc2ccccc2[C@@H]1O)c1ccc(F)c(Br)c1 ZINC000843118108 661369881 /nfs/dbraw/zinc/36/98/81/661369881.db2.gz WNRWIBZEUKPEGP-UXLLHSPISA-N 1 0 382.229 2.706 20 0 GFADRO O=C1[C@@H](c2nc(C3CC[NH2+]CC3)no2)CCN1c1cccc(Br)c1 ZINC000843138518 661370610 /nfs/dbraw/zinc/37/06/10/661370610.db2.gz WMAQNDMZDRFMEH-CQSZACIVSA-N 1 0 391.269 2.820 20 0 GFADRO COc1cc(Br)c(Cc2noc(C[C@@H]([NH3+])C3CC3)n2)cc1OC ZINC000843198858 661371713 /nfs/dbraw/zinc/37/17/13/661371713.db2.gz WJDKJOXUVLIDBY-GFCCVEGCSA-N 1 0 382.258 2.720 20 0 GFADRO COc1ccc(Cc2noc(CC[C@H]3CC[NH2+]C3)n2)c(Br)c1OC ZINC000843203506 661372396 /nfs/dbraw/zinc/37/23/96/661372396.db2.gz SNAWTGHIEYBSCV-NSHDSACASA-N 1 0 396.285 2.982 20 0 GFADRO Fc1cc(-c2noc(C[C@@H]3CSCC[NH2+]3)n2)ccc1-n1cc(Cl)cn1 ZINC000843228057 661374342 /nfs/dbraw/zinc/37/43/42/661374342.db2.gz YPUXACRMESUSGA-GFCCVEGCSA-N 1 0 379.848 2.962 20 0 GFADRO O=C(NCc1noc(CCC2CC[NH2+]CC2)n1)c1ccc(Br)cc1 ZINC000843229738 661374440 /nfs/dbraw/zinc/37/44/40/661374440.db2.gz CNSARTQXWKGMGP-UHFFFAOYSA-N 1 0 393.285 2.694 20 0 GFADRO Brc1cccc(Cc2noc(CN3CCC4(C3)CC[NH2+]CC4)n2)c1 ZINC000843363914 661378664 /nfs/dbraw/zinc/37/86/64/661378664.db2.gz URKJQSCYUJXXOR-UHFFFAOYSA-N 1 0 391.313 2.998 20 0 GFADRO O=C(CO[C@H]1CCC[NH2+]C1)Nc1ccnn1Cc1cccc(Cl)c1Cl ZINC000843371085 661378798 /nfs/dbraw/zinc/37/87/98/661378798.db2.gz HWUGIJYCZKZVQR-ZDUSSCGKSA-N 1 0 383.279 2.945 20 0 GFADRO [NH3+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)/C=C\c1ccc(I)o1 ZINC000843451980 661381927 /nfs/dbraw/zinc/38/19/27/661381927.db2.gz IIXUYDDVAQZCND-VOAWJRHSSA-N 1 0 386.233 2.768 20 0 GFADRO CCOC(=O)Nc1ccc(Br)cc1NC(=O)[C@@H]([NH3+])CC(F)F ZINC000843492398 661383389 /nfs/dbraw/zinc/38/33/89/661383389.db2.gz RVLPZNBVIYBMNN-QMMMGPOBSA-N 1 0 380.189 2.939 20 0 GFADRO CC[N@H+](Cc1cc(Cl)cc(S(N)(=O)=O)c1)[C@H](C)[C@H](O)c1ccccc1 ZINC000844329550 661415853 /nfs/dbraw/zinc/41/58/53/661415853.db2.gz HKNOPZVYYPDNBK-ACJLOTCBSA-N 1 0 382.913 2.931 20 0 GFADRO C[C@@H]1CCC[N@H+](CCCCS(C)(=O)=O)[C@@H]1CCNC(=O)OC(C)(C)C ZINC000844402553 661418924 /nfs/dbraw/zinc/41/89/24/661418924.db2.gz QUCFOIMEVKHROV-HZPDHXFCSA-N 1 0 376.563 2.827 20 0 GFADRO O=C(NCCC[C@@H]1CC1(Cl)Cl)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000844976669 661451990 /nfs/dbraw/zinc/45/19/90/661451990.db2.gz LWFHARHXBPTTKP-HIFRSBDPSA-N 1 0 378.344 2.903 20 0 GFADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NCCC[C@@H]1CC1(Cl)Cl ZINC000845673584 661488459 /nfs/dbraw/zinc/48/84/59/661488459.db2.gz HJPPUAUUFKGEFR-UONOGXRCSA-N 1 0 378.344 2.855 20 0 GFADRO CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)OC[C@@H]2CC[N@@H+]2C(C)(C)C)c1 ZINC000845737354 661494742 /nfs/dbraw/zinc/49/47/42/661494742.db2.gz GEZTWWNSYCGZTJ-LBPRGKRZSA-N 1 0 388.917 2.620 20 0 GFADRO COCCOCC[NH+]1CCN(c2nccc3ccc(Br)cc32)CC1 ZINC000845769492 661495713 /nfs/dbraw/zinc/49/57/13/661495713.db2.gz FPLPBVYCUWOYRW-UHFFFAOYSA-N 1 0 394.313 2.782 20 0 GFADRO COC(=O)[C@@H]1C[N@H+](Cc2ccccc2I)C[C@H]1C1CC1 ZINC000846122107 661533796 /nfs/dbraw/zinc/53/37/96/661533796.db2.gz GKIGLBOLMGRXNC-UONOGXRCSA-N 1 0 385.245 2.922 20 0 GFADRO CN(C[C@H](O)c1ccccc1Br)C(=O)NCCC1CC[NH2+]CC1 ZINC000846216121 661538495 /nfs/dbraw/zinc/53/84/95/661538495.db2.gz XKNVUWIUVYMVLU-INIZCTEOSA-N 1 0 384.318 2.514 20 0 GFADRO Cc1c(Br)nccc1NC(=O)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000846312400 661544497 /nfs/dbraw/zinc/54/44/97/661544497.db2.gz RRXYNGLTZXGETB-GZBFAFLISA-N 1 0 397.317 2.903 20 0 GFADRO Cc1cnc(Br)cc1NC(=O)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000846317284 661544972 /nfs/dbraw/zinc/54/49/72/661544972.db2.gz RNIPPKWGGDSCOR-KCQAQPDRSA-N 1 0 397.317 2.903 20 0 GFADRO C[C@]([NH3+])(C(=O)NC[C@@](C)(O)c1ccsc1)c1ccc(Br)cc1 ZINC000846687968 661561886 /nfs/dbraw/zinc/56/18/86/661561886.db2.gz RCDHHYFFMLEERN-HZPDHXFCSA-N 1 0 383.311 2.708 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2C(=O)/C=C/c2ccc(Br)o2)C1 ZINC000846700701 661562161 /nfs/dbraw/zinc/56/21/61/661562161.db2.gz WHUPNOGXDOAWJP-VHRDADJSSA-N 1 0 383.286 2.943 20 0 GFADRO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)c1cnc(F)c(Br)c1 ZINC000847366098 661589352 /nfs/dbraw/zinc/58/93/52/661589352.db2.gz CAELTTQDVYHWDB-AWEZNQCLSA-N 1 0 380.261 2.886 20 0 GFADRO O=C(NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1nc(Cl)sc1Cl ZINC000847575940 661598568 /nfs/dbraw/zinc/59/85/68/661598568.db2.gz TXXAGIBIHYLLKY-GFCCVEGCSA-N 1 0 386.304 2.599 20 0 GFADRO C[C@H](NC(=O)c1ccc(Br)s1)C(=O)OCC[C@H]1CC[N@H+](C)C1 ZINC000847824983 661612120 /nfs/dbraw/zinc/61/21/20/661612120.db2.gz PPDHPXYJSZILLY-WDEREUQCSA-N 1 0 389.315 2.514 20 0 GFADRO C[N@@H+]1CC[C@@H](CCOC(=O)CSc2nncn2-c2cccc(Cl)c2)C1 ZINC000847827031 661612309 /nfs/dbraw/zinc/61/23/09/661612309.db2.gz GACREAODFYEHME-ZDUSSCGKSA-N 1 0 380.901 2.898 20 0 GFADRO O=C1O[C@H](C[NH2+]Cc2cnn(-c3ccc(Br)cc3)c2)CN1C1CC1 ZINC000848579063 661666502 /nfs/dbraw/zinc/66/65/02/661666502.db2.gz VTJRYECPIXPFIM-MRXNPFEDSA-N 1 0 391.269 2.708 20 0 GFADRO O=C1CC[C@H]([NH+]2CCN(c3cc(C(F)(F)F)cc(Cl)n3)CC2)CCN1 ZINC000848720368 661678182 /nfs/dbraw/zinc/67/81/82/661678182.db2.gz VHWJTPBPALOCPM-LBPRGKRZSA-N 1 0 376.810 2.545 20 0 GFADRO C[C@@H](NC(=[NH2+])NCCS(=O)(=O)CC1CC1)c1ccc(Cl)cc1Cl ZINC000849096376 661691335 /nfs/dbraw/zinc/69/13/35/661691335.db2.gz XLNABORGRZYNCE-SNVBAGLBSA-N 1 0 378.325 2.993 20 0 GFADRO CC(C)(C)OC(=O)NCCNC(=[NH2+])NCCc1ccc(Br)s1 ZINC000849110942 661692346 /nfs/dbraw/zinc/69/23/46/661692346.db2.gz PLZJRPXVFRCPDU-UHFFFAOYSA-N 1 0 391.335 2.692 20 0 GFADRO COc1ccc(C[C@H](CO)CNC(=[NH2+])Nc2ccccn2)cc1Br ZINC000849115081 661693067 /nfs/dbraw/zinc/69/30/67/661693067.db2.gz DVQYRMLAWLRDOS-ZDUSSCGKSA-N 1 0 393.285 2.640 20 0 GFADRO O=C1N[C@H](c2ccccc2Br)C(=O)N1C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000849351152 661708384 /nfs/dbraw/zinc/70/83/84/661708384.db2.gz CLLLVJABMXYJET-IAQYHMDHSA-N 1 0 378.270 2.526 20 0 GFADRO C[C@@H](CN1C(=O)N[C@@H](c2ccccc2Br)C1=O)[NH+]1CCCCC1 ZINC000849352197 661708573 /nfs/dbraw/zinc/70/85/73/661708573.db2.gz RYAOWUSVZOYYGV-WFASDCNBSA-N 1 0 380.286 2.916 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@H](NS(=O)(=O)c2cnc(Cl)c(Br)c2)C1 ZINC000849418142 661719994 /nfs/dbraw/zinc/71/99/94/661719994.db2.gz BLJUJGSVXJPMBF-VIFPVBQESA-N 1 0 396.738 2.649 20 0 GFADRO C[N@H+](CCc1ccccc1)[C@@H]1CCN(S(=O)(=O)c2ccc(Cl)nc2)C1 ZINC000849454289 661728229 /nfs/dbraw/zinc/72/82/29/661728229.db2.gz ICDVWPHOFVYQGI-MRXNPFEDSA-N 1 0 379.913 2.673 20 0 GFADRO Cc1nn(-c2ccccn2)c(Cl)c1C[NH2+]CC[S@](=O)CC(F)(F)F ZINC000850351307 661771366 /nfs/dbraw/zinc/77/13/66/661771366.db2.gz ZPOSNEKXTPJDPH-DEOSSOPVSA-N 1 0 380.823 2.630 20 0 GFADRO CON(C)CC[NH2+][C@@H]1CCCOc2ccc(I)cc21 ZINC000850479191 661778019 /nfs/dbraw/zinc/77/80/19/661778019.db2.gz NEJDWZAXQFUSAL-CYBMUJFWSA-N 1 0 376.238 2.588 20 0 GFADRO C[C@@H]([NH2+]CCN1C[C@H]2CCCCN2C1=O)c1cc(Br)ncc1F ZINC000850563369 661781848 /nfs/dbraw/zinc/78/18/48/661781848.db2.gz WXQNQFBNYVEZEV-VXGBXAGGSA-N 1 0 385.281 2.924 20 0 GFADRO CC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCC([C@H]3CCC[NH2+]C3)CC2)c1 ZINC000850589558 661782575 /nfs/dbraw/zinc/78/25/75/661782575.db2.gz NKLHDARGKYRKDY-INIZCTEOSA-N 1 0 384.929 2.943 20 0 GFADRO Cn1c(Cl)cnc1-c1csc(NC(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)n1 ZINC000850753694 661790286 /nfs/dbraw/zinc/79/02/86/661790286.db2.gz BUFULWGODPUUQB-DCAQKATOSA-N 1 0 380.905 2.788 20 0 GFADRO Cn1c(Cl)cnc1-c1csc(NC(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)n1 ZINC000850754376 661790534 /nfs/dbraw/zinc/79/05/34/661790534.db2.gz OLTDNNVOHFZRGK-QFYYESIMSA-N 1 0 380.905 2.790 20 0 GFADRO COc1cccc(C[N@H+](CCn2cnc(Br)n2)C[C@@H]2CCCO2)c1 ZINC000851734739 661829549 /nfs/dbraw/zinc/82/95/49/661829549.db2.gz MEPCBIUGNUUYSL-INIZCTEOSA-N 1 0 395.301 2.730 20 0 GFADRO CC[N@H+](Cc1ccccc1Br)C[C@](O)(C(N)=O)c1ccccc1 ZINC000851738569 661830013 /nfs/dbraw/zinc/83/00/13/661830013.db2.gz LALDJZOOZJIMGT-GOSISDBHSA-N 1 0 377.282 2.644 20 0 GFADRO CC(=O)c1ccc(Cl)c(S(=O)(=O)NCC2CC[NH+](CC3CC3)CC2)c1 ZINC000851879858 661842462 /nfs/dbraw/zinc/84/24/62/661842462.db2.gz PXEALIREUHBORO-UHFFFAOYSA-N 1 0 384.929 2.943 20 0 GFADRO CC1(C)CN(Cc2ccccc2)CC[C@@H]1[NH2+]CCn1cnc(Br)n1 ZINC000852018589 661849319 /nfs/dbraw/zinc/84/93/19/661849319.db2.gz NRZYJASFCVUPSZ-INIZCTEOSA-N 1 0 392.345 2.931 20 0 GFADRO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)NC[C@H](O)c1ccccc1Br ZINC000852603834 661867816 /nfs/dbraw/zinc/86/78/16/661867816.db2.gz VWHRKQDULCQULG-YOEHRIQHSA-N 1 0 398.345 2.902 20 0 GFADRO CC(C)(C)OC(=O)NC[C@@](C)(O)C[NH2+][C@@H](CO)c1cccc(Cl)c1Cl ZINC000852678384 661870936 /nfs/dbraw/zinc/87/09/36/661870936.db2.gz CQVZHEJMELVGRH-GUYCJALGSA-N 1 0 393.311 2.892 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)[C@H]1[NH2+]CC12CCCC2 ZINC000852773421 661874186 /nfs/dbraw/zinc/87/41/86/661874186.db2.gz YXPCGMCUXJJEOL-MRXNPFEDSA-N 1 0 394.313 2.687 20 0 GFADRO C[C@H](NC(=O)c1cnn(-c2ccccc2)c1Br)[C@H]1CCC[NH2+]C1 ZINC000852794134 661874502 /nfs/dbraw/zinc/87/45/02/661874502.db2.gz MAQGUZATRPJRSY-STQMWFEESA-N 1 0 377.286 2.753 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)c1cnn(-c2ccccc2)c1Br ZINC000852793350 661874519 /nfs/dbraw/zinc/87/45/19/661874519.db2.gz YGJYUIRJTBLBAL-DOMZBBRYSA-N 1 0 377.286 2.977 20 0 GFADRO CC(C)(C)n1ncc(C(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1Br ZINC000852819710 661875219 /nfs/dbraw/zinc/87/52/19/661875219.db2.gz FWEROXCAFNGLKT-QWHCGFSZSA-N 1 0 383.334 2.862 20 0 GFADRO O=C(c1ccc(C(F)(F)Br)nc1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000852818483 661875234 /nfs/dbraw/zinc/87/52/34/661875234.db2.gz JKHSFIYNQWIJOZ-GFCCVEGCSA-N 1 0 388.256 2.988 20 0 GFADRO C[C@]12CCN(C(=O)[C@@H]3[NH2+]CCC3(C)C)C[C@H]1C2(Br)Br ZINC000852901538 661876787 /nfs/dbraw/zinc/87/67/87/661876787.db2.gz KAZBZHDFHIXAFX-NRUUGDAUSA-N 1 0 394.151 2.729 20 0 GFADRO Cn1nc(Br)c2c1ncnc2NCC1CC[NH+](CC2CC2)CC1 ZINC000853986119 661910281 /nfs/dbraw/zinc/91/02/81/661910281.db2.gz ZJDCZGYXOVIJGO-UHFFFAOYSA-N 1 0 379.306 2.660 20 0 GFADRO CC(C)[NH+](CCNC(=O)c1csc(I)n1)C(C)C ZINC000854301562 661922501 /nfs/dbraw/zinc/92/25/01/661922501.db2.gz BVPNUATXCVLFNF-UHFFFAOYSA-N 1 0 381.283 2.596 20 0 GFADRO O=C(NCc1cnc(Br)s1)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000854356552 661929025 /nfs/dbraw/zinc/92/90/25/661929025.db2.gz PZYRJWUHGMITOD-ZDUSSCGKSA-N 1 0 395.326 2.829 20 0 GFADRO Cc1nc(SCC(C)C)sc1CC(=O)N[C@H](CO)C[NH+]1CCCCC1 ZINC000854413244 661931997 /nfs/dbraw/zinc/93/19/97/661931997.db2.gz PDOKHOCPUPILMI-HNNXBMFYSA-N 1 0 385.599 2.705 20 0 GFADRO C[C@@H]1CN(C(=O)c2cnn(C(C)(C)C)c2Br)CC[N@@H+](C2CC2)C1 ZINC000854676799 661947348 /nfs/dbraw/zinc/94/73/48/661947348.db2.gz CFLPAYPQXUXMHR-LBPRGKRZSA-N 1 0 383.334 2.957 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)c2c(Br)nc3n2CCCC3)C1 ZINC000855162416 661974222 /nfs/dbraw/zinc/97/42/22/661974222.db2.gz JEWVFWMHWHNJJZ-LBPRGKRZSA-N 1 0 383.334 2.832 20 0 GFADRO Cc1n[nH]c(C(=O)NCC2CC[NH+](Cc3ccncc3)CC2)c1Br ZINC000855527342 661996725 /nfs/dbraw/zinc/99/67/25/661996725.db2.gz HIVNTMAVSAOSOY-UHFFFAOYSA-N 1 0 392.301 2.518 20 0 GFADRO Cc1n[nH]c(C(=O)N2CC[C@H]([N@H+](C)CCc3ccccc3)C2)c1Br ZINC000855734557 662005594 /nfs/dbraw/zinc/00/55/94/662005594.db2.gz DUVDLGIQLXYRPN-HNNXBMFYSA-N 1 0 391.313 2.870 20 0 GFADRO COc1ccc(C(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)nc1Br ZINC000855810121 662009075 /nfs/dbraw/zinc/00/90/75/662009075.db2.gz SUWGLXCUOKIORU-LBPRGKRZSA-N 1 0 382.302 2.990 20 0 GFADRO C[NH+](C)[C@H](CC(=O)N1CCn2ncc(Br)c2C1)c1ccccc1 ZINC000856012374 662016034 /nfs/dbraw/zinc/01/60/34/662016034.db2.gz BVXLQVVYJKIEKO-OAHLLOKOSA-N 1 0 377.286 2.681 20 0 GFADRO O=C(c1cc2ccc(Br)cc2[nH]1)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000856256407 662027153 /nfs/dbraw/zinc/02/71/53/662027153.db2.gz YPMLEXIIENRWCT-OAHLLOKOSA-N 1 0 392.297 2.602 20 0 GFADRO C[NH+](C)CCC[C@@H]1CN(C(=O)CSc2nc3ccccc3s2)CCO1 ZINC000856428090 662033361 /nfs/dbraw/zinc/03/33/61/662033361.db2.gz OAIVHYBVLPYKEV-CQSZACIVSA-N 1 0 379.551 2.958 20 0 GFADRO Cn1cc(C[NH2+]C[C@@H](CO)Cc2ccc(OC(F)(F)F)cc2)c(Cl)n1 ZINC000856773554 662043732 /nfs/dbraw/zinc/04/37/32/662043732.db2.gz JRLWJUPJVUYQIE-LBPRGKRZSA-N 1 0 377.794 2.913 20 0 GFADRO Cn1cc(C[NH2+]CCOc2ccc(I)cc2)c(Cl)n1 ZINC000856784423 662044121 /nfs/dbraw/zinc/04/41/21/662044121.db2.gz FTLUXTBUIOXGPV-UHFFFAOYSA-N 1 0 391.640 2.847 20 0 GFADRO CC(C)[NH+]1CCC(NC(=O)N2CC(O)(c3cccc(Br)c3)C2)CC1 ZINC000856830195 662046381 /nfs/dbraw/zinc/04/63/81/662046381.db2.gz HNKWYINWJSCUML-UHFFFAOYSA-N 1 0 396.329 2.535 20 0 GFADRO CC[C@H](C[NH+]1CCCC1)NC(=O)N1CC(O)(c2cccc(Br)c2)C1 ZINC000856878452 662049071 /nfs/dbraw/zinc/04/90/71/662049071.db2.gz SLBLUECCYMKZLI-MRXNPFEDSA-N 1 0 396.329 2.536 20 0 GFADRO C[NH+](C)CCc1ccc(NC(=O)c2c(Br)nc3n2CCOC3)cc1 ZINC000857108745 662063742 /nfs/dbraw/zinc/06/37/42/662063742.db2.gz GUIXHEYIOUORKN-UHFFFAOYSA-N 1 0 393.285 2.532 20 0 GFADRO CC[C@H](c1ccc(Br)cc1)N1CCN(C(=O)NCC[C@H](C)[NH3+])CC1 ZINC000857112741 662063752 /nfs/dbraw/zinc/06/37/52/662063752.db2.gz HRAYUGILBCTQMH-WMLDXEAASA-N 1 0 397.361 2.965 20 0 GFADRO O=C(NCCC[NH2+][C@H]1CCCc2cn[nH]c21)c1ccc(Br)cc1 ZINC000857852792 662092227 /nfs/dbraw/zinc/09/22/27/662092227.db2.gz WVJZNAJTNKAZKZ-HNNXBMFYSA-N 1 0 377.286 2.959 20 0 GFADRO C[NH+]1CCC(NC(=S)N2CCc3ccc(F)c(Br)c3C2)CC1 ZINC000857870695 662092733 /nfs/dbraw/zinc/09/27/33/662092733.db2.gz IADWLASQSAJZAP-UHFFFAOYSA-N 1 0 386.334 2.915 20 0 GFADRO Cn1cc(Br)c(C(=O)N2C[C@@H]([NH+](C)C)CCc3ccccc32)n1 ZINC000857924535 662094753 /nfs/dbraw/zinc/09/47/53/662094753.db2.gz CUSPLENPYBHBCK-ZDUSSCGKSA-N 1 0 377.286 2.706 20 0 GFADRO Cn1ncc(C(=O)N2C[C@H]([NH+](C)C)CCc3ccccc32)c1Br ZINC000857926485 662094799 /nfs/dbraw/zinc/09/47/99/662094799.db2.gz GUECSSFJFMTEQL-CYBMUJFWSA-N 1 0 377.286 2.706 20 0 GFADRO Cn1cc(C[NH2+]C[C@@H]2CSCCN2Cc2ccccc2)c(Br)n1 ZINC000858160759 662102394 /nfs/dbraw/zinc/10/23/94/662102394.db2.gz PDIYUQQHXYUPQY-MRXNPFEDSA-N 1 0 395.370 2.890 20 0 GFADRO O=Cc1cnc2c(Br)cc(C(=O)NCCC[NH+]3CCCCC3)cn12 ZINC000858163861 662102491 /nfs/dbraw/zinc/10/24/91/662102491.db2.gz MCYCEIILDJDPBA-UHFFFAOYSA-N 1 0 393.285 2.515 20 0 GFADRO COc1ccc(Br)c(C(=O)NCCCNc2cc[nH+]c(CO)c2)c1 ZINC000858404138 662110684 /nfs/dbraw/zinc/11/06/84/662110684.db2.gz HGGPTTBFFPDBAA-UHFFFAOYSA-N 1 0 394.269 2.577 20 0 GFADRO OCCCC[NH+]1CCN(c2nccc(-c3ccc(Br)cc3)n2)CC1 ZINC000858422133 662111098 /nfs/dbraw/zinc/11/10/98/662111098.db2.gz PCLGRHBMRWXWKZ-UHFFFAOYSA-N 1 0 391.313 2.801 20 0 GFADRO COc1ccc2c(c1)OC[C@H]([NH2+]Cc1cc(Br)cnc1OC)C2 ZINC000858494394 662113411 /nfs/dbraw/zinc/11/34/11/662113411.db2.gz ILJQLJOVEXKKLS-CQSZACIVSA-N 1 0 379.254 2.955 20 0 GFADRO C[C@H]([NH2+]CC(=O)Nc1ccc2c(c1)OCCO2)c1ccc(Br)nc1 ZINC000858564507 662114994 /nfs/dbraw/zinc/11/49/94/662114994.db2.gz OHPZNVXZUQQCBG-NSHDSACASA-N 1 0 392.253 2.905 20 0 GFADRO COC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)cc1Cl ZINC000859057209 662134407 /nfs/dbraw/zinc/13/44/07/662134407.db2.gz CBTAXKQLVJJREH-NSHDSACASA-N 1 0 391.921 2.773 20 0 GFADRO O=C1Nc2ccc(Br)cc2CC[C@@H]1[N@@H+]1CCC[C@@H](C2OCCO2)C1 ZINC000859117874 662138637 /nfs/dbraw/zinc/13/86/37/662138637.db2.gz XEVGHCNABTYPSG-CJNGLKHVSA-N 1 0 395.297 2.787 20 0 GFADRO COC(=O)Nc1ccc(S(=O)(=O)NC[C@@H]2CCCC[N@H+](C)C2)cc1Cl ZINC000859301271 662151686 /nfs/dbraw/zinc/15/16/86/662151686.db2.gz GMCJEMIFVDITEU-LBPRGKRZSA-N 1 0 389.905 2.529 20 0 GFADRO O=C1O[C@H](C[NH2+][C@]2(CO)CCc3cc(Br)ccc3C2)CC12CCC2 ZINC000859573938 662168251 /nfs/dbraw/zinc/16/82/51/662168251.db2.gz GDHNRZARPQBNTQ-QFBILLFUSA-N 1 0 394.309 2.744 20 0 GFADRO OC[C@]1([NH2+]C[C@H](O)c2ccc(F)cn2)CCc2cc(Br)ccc2C1 ZINC000859574832 662168267 /nfs/dbraw/zinc/16/82/67/662168267.db2.gz SFYJZKFNAQEATI-ROUUACIJSA-N 1 0 395.272 2.526 20 0 GFADRO CN(CCOCCNC(=O)OC(C)(C)C)Cc1ccncc1Br ZINC000859861839 662177023 /nfs/dbraw/zinc/17/70/23/662177023.db2.gz PQPVXGPXSCBAST-UHFFFAOYSA-N 1 0 388.306 2.817 20 0 GFADRO O=C1[C@@H]([NH2+][C@@H](CCO)c2cc(Cl)cc(Cl)c2)CCN1C1CCOCC1 ZINC000860046639 662184352 /nfs/dbraw/zinc/18/43/52/662184352.db2.gz BMYFUQAJDQVUSY-IRXDYDNUSA-N 1 0 387.307 2.786 20 0 GFADRO CS[C@H]1CN(C(=O)c2cc(Br)cc(C=O)c2)C[C@@H]1[NH+]1CCCC1 ZINC000860785808 662215592 /nfs/dbraw/zinc/21/55/92/662215592.db2.gz KVEUNYYVAOZFQT-HOTGVXAUSA-N 1 0 397.338 2.913 20 0 GFADRO COCC[N@@H+]1CCC[C@H]1COC(=O)[C@@H](OC)c1ccccc1Br ZINC000861037257 662224987 /nfs/dbraw/zinc/22/49/87/662224987.db2.gz ROQBWLFXVIBZFA-BBRMVZONSA-N 1 0 386.286 2.791 20 0 GFADRO O=C(NCc1ccc(Br)c(F)c1F)N[C@H]1C[NH2+]CCC1(F)F ZINC000861646628 662253152 /nfs/dbraw/zinc/25/31/52/662253152.db2.gz SUQHURKIYIYBNA-VIFPVBQESA-N 1 0 384.171 2.524 20 0 GFADRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)Nc1cccc(SC(F)(F)F)c1 ZINC000861891833 662262579 /nfs/dbraw/zinc/26/25/79/662262579.db2.gz LSJAAWUEKPFJGX-LBPRGKRZSA-N 1 0 375.416 2.790 20 0 GFADRO CC[C@H](C(=O)N1CN(CC[NH+](C)C)C(=O)[C@@H]1C)c1ccc(Br)cc1 ZINC000862100410 662269061 /nfs/dbraw/zinc/26/90/61/662269061.db2.gz GZABJVZZBJSZHC-BBRMVZONSA-N 1 0 396.329 2.521 20 0 GFADRO Cc1cc(Br)ccc1CC(=O)N1CCC([NH+]2CCOCC2)CC1 ZINC000862216906 662274128 /nfs/dbraw/zinc/27/41/28/662274128.db2.gz PLONIRCWMNECSC-UHFFFAOYSA-N 1 0 381.314 2.623 20 0 GFADRO CC[N@H+](C)Cc1cc(O[C@@H]2CCN(C(=O)[C@H]3C[C@]3(C)Br)C2)ccn1 ZINC000862253660 662278449 /nfs/dbraw/zinc/27/84/49/662278449.db2.gz SYGGWCKZNXHXEH-NUJGCVRESA-N 1 0 396.329 2.687 20 0 GFADRO CC[N@H+](C[C@H](O)C(F)(F)F)C[C@@H]1CC(F)(F)CN1C(=O)OC(C)(C)C ZINC000862332158 662280886 /nfs/dbraw/zinc/28/08/86/662280886.db2.gz FVALDJFABBQMRI-QWRGUYRKSA-N 1 0 376.366 2.876 20 0 GFADRO COCO[C@@H](C)c1cc(F)c(CN2C[C@H]3[C@H](CO)[C@H]3C2)cc1Br ZINC000862374182 662283774 /nfs/dbraw/zinc/28/37/74/662283774.db2.gz JQMLVMOWZDULCV-BSLXNSKLSA-N 1 0 388.277 2.940 20 0 GFADRO COc1ncc(Br)cc1CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000862826659 662302270 /nfs/dbraw/zinc/30/22/70/662302270.db2.gz OYSFDWKNMSWFAM-MRXNPFEDSA-N 1 0 388.281 2.681 20 0 GFADRO CC1([NH+]2CCOCC2)CCN(C(=O)/C=C\c2ccc(Br)o2)CC1 ZINC000862960478 662306554 /nfs/dbraw/zinc/30/65/54/662306554.db2.gz MLPPGFBXZJPAHY-HYXAFXHYSA-N 1 0 383.286 2.769 20 0 GFADRO CC1([NH+]2CCOCC2)CCN(C(=O)/C=C/c2ccc(Br)o2)CC1 ZINC000862960477 662306597 /nfs/dbraw/zinc/30/65/97/662306597.db2.gz MLPPGFBXZJPAHY-HWKANZROSA-N 1 0 383.286 2.769 20 0 GFADRO CC(=O)N1CSC[C@@H]1C(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000863036513 662309356 /nfs/dbraw/zinc/30/93/56/662309356.db2.gz CLLDPTINKXCTAD-HUUCEWRRSA-N 1 0 390.336 2.634 20 0 GFADRO Brc1c(CN2CCC(CO[C@@H]3CC[NH2+]C3)CC2)nc2ccccn21 ZINC000863652243 662342418 /nfs/dbraw/zinc/34/24/18/662342418.db2.gz SRTUZEJGTDRWER-OAHLLOKOSA-N 1 0 393.329 2.687 20 0 GFADRO C[NH+]1C[C@@]2(C)CN(C(=O)c3nn(C(C)(C)C)cc3Br)C[C@]2(C)C1 ZINC000864078567 662353786 /nfs/dbraw/zinc/35/37/86/662353786.db2.gz XROOGSDZWZKRQL-IRXDYDNUSA-N 1 0 383.334 2.814 20 0 GFADRO C[C@]1(C(=O)N[C@H]2CC[NH2+]CC(C)(C)C2)CC1(Br)Br ZINC000864087200 662354040 /nfs/dbraw/zinc/35/40/40/662354040.db2.gz NXWWCKSXRMBWRX-JOYOIKCWSA-N 1 0 382.140 2.777 20 0 GFADRO C[C@H]1C[NH+](CCCNC(=O)c2nc(Br)sc2Cl)C[C@H](C)O1 ZINC000864667927 662382927 /nfs/dbraw/zinc/38/29/27/662382927.db2.gz IZNWEBICXSVNDL-IUCAKERBSA-N 1 0 396.738 2.788 20 0 GFADRO C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@@H](O)c1cnc[nH]1 ZINC000865003280 662394445 /nfs/dbraw/zinc/39/44/45/662394445.db2.gz NUHBCMRSZQSYOQ-INIZCTEOSA-N 1 0 385.295 2.730 20 0 GFADRO CC[NH+]1CCC(N(C)C(=O)[C@H](NC(C)=O)c2cccc(Br)c2)CC1 ZINC000865123004 662399913 /nfs/dbraw/zinc/39/99/13/662399913.db2.gz FCINNFYTISRXGF-QGZVFWFLSA-N 1 0 396.329 2.569 20 0 GFADRO CN1CC[NH+](C2CCN(C(=S)Nc3cccc(Br)c3)CC2)CC1 ZINC000865267020 662408300 /nfs/dbraw/zinc/40/83/00/662408300.db2.gz DYHAGPVJYWYJCO-UHFFFAOYSA-N 1 0 397.386 2.858 20 0 GFADRO COC[C@@H](NC(=S)NC1CC[NH+](C)CC1)c1cccc(Br)c1 ZINC000865270297 662408671 /nfs/dbraw/zinc/40/86/71/662408671.db2.gz OHGALSNERJLMFW-OAHLLOKOSA-N 1 0 386.359 2.695 20 0 GFADRO Cc1ccnc(C[NH2+]C2CCN(C(=O)c3ccncc3)CC2)c1Br ZINC000865421746 662420534 /nfs/dbraw/zinc/42/05/34/662420534.db2.gz BCAMJLRQTRDMKE-UHFFFAOYSA-N 1 0 389.297 2.942 20 0 GFADRO COc1ncc(Br)cc1C[NH2+]CCNC(=O)c1ccccc1F ZINC000865424877 662420709 /nfs/dbraw/zinc/42/07/09/662420709.db2.gz FSMFKBHFFHOKEG-UHFFFAOYSA-N 1 0 382.233 2.511 20 0 GFADRO Cn1ccnc1[C@](O)(CC[NH2+]Cc1ccncc1Br)C(F)(F)F ZINC000865428010 662420930 /nfs/dbraw/zinc/42/09/30/662420930.db2.gz LXLVIDKJFSSZQU-CYBMUJFWSA-N 1 0 393.207 2.507 20 0 GFADRO C[C@H](C[NH2+]Cc1cn(C[C@@H]2CCCO2)nn1)Oc1ccccc1Br ZINC000865482883 662424655 /nfs/dbraw/zinc/42/46/55/662424655.db2.gz AGYCIMPZUNGMOC-HIFRSBDPSA-N 1 0 395.301 2.777 20 0 GFADRO O[C@@H]1CC[N@H+](Cc2ccccc2CNCc2cccnc2Br)C1 ZINC000865524901 662426566 /nfs/dbraw/zinc/42/65/66/662426566.db2.gz PLGQMWWUJCHRGR-QGZVFWFLSA-N 1 0 376.298 2.701 20 0 GFADRO COC(=O)Cc1ccccc1C[NH2+]Cc1cc(Br)cnc1OC ZINC000865620475 662432380 /nfs/dbraw/zinc/43/23/80/662432380.db2.gz WVAUHNRENPAFQO-UHFFFAOYSA-N 1 0 379.254 2.858 20 0 GFADRO C[NH+]1CCC(N2CC[C@H](NC(=O)c3cc4ccnc(Cl)c4s3)C2)CC1 ZINC000865751221 662441280 /nfs/dbraw/zinc/44/12/80/662441280.db2.gz XLVZAEVFDJDXDJ-ZDUSSCGKSA-N 1 0 378.929 2.848 20 0 GFADRO C/C(=C/c1ccc(Br)o1)C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000865750865 662441352 /nfs/dbraw/zinc/44/13/52/662441352.db2.gz TZRRJXCJYJNALB-YBEMTRGBSA-N 1 0 396.329 2.730 20 0 GFADRO Cc1cc([C@H](C)[NH2+]C[C@]23COC(=O)N2CCOC3)sc1Br ZINC000865770512 662442376 /nfs/dbraw/zinc/44/23/76/662442376.db2.gz MWTSDTVUMNKBDX-HZMBPMFUSA-N 1 0 375.288 2.691 20 0 GFADRO CCN1CC[NH+](C[C@H](C)CNC(=O)c2cc3ccnc(Cl)c3s2)CC1 ZINC000865801849 662444295 /nfs/dbraw/zinc/44/42/95/662444295.db2.gz DZLKUTSSRKKTRS-CYBMUJFWSA-N 1 0 380.945 2.953 20 0 GFADRO COC[C@H]([NH2+]Cc1ccc(OCC(N)=O)cc1)c1cccc(Br)c1 ZINC000865824642 662445821 /nfs/dbraw/zinc/44/58/21/662445821.db2.gz OOWLUXSSOKOPCZ-KRWDZBQOSA-N 1 0 393.281 2.791 20 0 GFADRO C[N@@H+]1CCn2nc(NCc3ccc(F)cc3I)cc2C1 ZINC000865846466 662447373 /nfs/dbraw/zinc/44/73/73/662447373.db2.gz QRGGEWKTJVWSOQ-UHFFFAOYSA-N 1 0 386.212 2.684 20 0 GFADRO C/C(=C\c1ccc(Br)o1)C(=O)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000866092177 662460315 /nfs/dbraw/zinc/46/03/15/662460315.db2.gz GHGQLMBKEQHANS-JWAFFJSPSA-N 1 0 383.286 2.626 20 0 GFADRO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2cc(Br)cn3ccnc23)C1 ZINC000866186808 662463650 /nfs/dbraw/zinc/46/36/50/662463650.db2.gz UBMOJZXDPQBXSP-CYBMUJFWSA-N 1 0 379.302 2.901 20 0 GFADRO C[C@@H]1CCc2ccc(F)cc2[C@H]1[NH2+]C[C@H](O)CS(=O)(=O)c1cccs1 ZINC000866310045 662467753 /nfs/dbraw/zinc/46/77/53/662467753.db2.gz SHXYXOVRALEHJX-MRAWALMUSA-N 1 0 383.510 2.935 20 0 GFADRO C/C(=C/c1ccc(Br)o1)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000866381612 662469641 /nfs/dbraw/zinc/46/96/41/662469641.db2.gz RZDCWCQYITVUSG-ZVHGMHCTSA-N 1 0 383.286 2.626 20 0 GFADRO O=C1OC[C@@]2(C[NH2+][C@H](c3ccc(Br)s3)C3CC3)COCCN12 ZINC000866522459 662478716 /nfs/dbraw/zinc/47/87/16/662478716.db2.gz WGBSTEBXHXBWOR-DZGCQCFKSA-N 1 0 387.299 2.773 20 0 GFADRO COC[C@H]([NH2+]C1CCN([C@@H]2CCOC2)CC1)c1cccc(Br)c1 ZINC000866598202 662483216 /nfs/dbraw/zinc/48/32/16/662483216.db2.gz UIAPOCQDXLFZFA-MSOLQXFVSA-N 1 0 383.330 2.980 20 0 GFADRO CO[C@@H](c1ccccc1)[C@@H](C)[NH2+]Cc1c(I)cnn1C ZINC000866631208 662485876 /nfs/dbraw/zinc/48/58/76/662485876.db2.gz IWMYZKSEKGQUJU-IAQYHMDHSA-N 1 0 385.249 2.891 20 0 GFADRO CC1(C)CC[NH2+]CCN1CC(=O)Nc1c(F)cc(F)cc1Br ZINC000866699021 662490650 /nfs/dbraw/zinc/49/06/50/662490650.db2.gz JAAJJGPRIIAMLJ-UHFFFAOYSA-N 1 0 376.245 2.740 20 0 GFADRO O=S(=O)(c1cc(Cl)cnc1Cl)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000866776063 662497540 /nfs/dbraw/zinc/49/75/40/662497540.db2.gz SNBFMUQXRPXEQM-LBPRGKRZSA-N 1 0 378.325 2.789 20 0 GFADRO CN(Cc1c(F)cccc1Cl)S(=O)(=O)N1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866814822 662501389 /nfs/dbraw/zinc/50/13/89/662501389.db2.gz VKCVLGILIHLRFN-QGZVFWFLSA-N 1 0 391.940 2.853 20 0 GFADRO COC(=O)c1cc(S(=O)(=O)N2CC[C@](C[NH3+])(C(C)(C)C)C2)ccc1Cl ZINC000866815156 662501411 /nfs/dbraw/zinc/50/14/11/662501411.db2.gz LHOBADJCAGIMMA-QGZVFWFLSA-N 1 0 388.917 2.512 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2cc3nc(Cl)ncc3s2)C[C@H]1C ZINC000866856202 662504039 /nfs/dbraw/zinc/50/40/39/662504039.db2.gz YXPDIPJNMPRCQD-MNOVXSKESA-N 1 0 388.946 2.838 20 0 GFADRO O=S(=O)(/C=C/c1cccc(Cl)c1)N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000867400122 662547507 /nfs/dbraw/zinc/54/75/07/662547507.db2.gz TVDFJFBYZNCDEQ-VGOFMYFVSA-N 1 0 384.929 2.827 20 0 GFADRO C/C(=C\c1ccc(Br)o1)C(=O)NC(C)(C)CC[NH+]1CCN(C)CC1 ZINC000867480313 662553191 /nfs/dbraw/zinc/55/31/91/662553191.db2.gz BNYPZOMXYDQYRW-BUHFOSPRSA-N 1 0 398.345 2.978 20 0 GFADRO CCC1([NH+]2CCCC2)CCN(S(=O)(=O)c2cnc(Cl)c(F)c2)CC1 ZINC000867601582 662562108 /nfs/dbraw/zinc/56/21/08/662562108.db2.gz MTDHTEGELJDQOP-UHFFFAOYSA-N 1 0 375.897 2.903 20 0 GFADRO C[NH+]1CCC2(CCN(S(=O)(=O)c3c(Cl)nc4sccn43)CC2)CC1 ZINC000867618230 662563229 /nfs/dbraw/zinc/56/32/29/662563229.db2.gz ANMFZUCYWPRAIH-UHFFFAOYSA-N 1 0 388.946 2.546 20 0 GFADRO CC(=O)N[C@H](C(=O)N1CCC[C@H]([NH+](C)C)CC1)c1cccc(Br)c1 ZINC000867812939 662579498 /nfs/dbraw/zinc/57/94/98/662579498.db2.gz OHBVRDVGQHOJQY-IRXDYDNUSA-N 1 0 396.329 2.569 20 0 GFADRO [NH3+][C@H](C(=O)NC[C@@H]1OCCc2ccccc21)c1cccc(Br)c1 ZINC000867927750 662587724 /nfs/dbraw/zinc/58/77/24/662587724.db2.gz NCDLJRMJNJBOQE-IRXDYDNUSA-N 1 0 375.266 2.879 20 0 GFADRO CC(=O)N[C@@H](C(=O)N[C@](C)(C[NH3+])CC(C)C)c1cccc(Br)c1 ZINC000867960738 662589589 /nfs/dbraw/zinc/58/95/89/662589589.db2.gz PDDJSIRYOPSHFB-WBVHZDCISA-N 1 0 384.318 2.506 20 0 GFADRO COc1cc(I)ccc1C(=O)N1CCCC[C@H]1CC[NH3+] ZINC000867971594 662590161 /nfs/dbraw/zinc/59/01/61/662590161.db2.gz SBXXXNGVQGGMQU-LBPRGKRZSA-N 1 0 388.249 2.643 20 0 GFADRO COC[C@@H](NC(=O)[C@H]([NH3+])Cc1ccccc1)c1cccc(Br)c1 ZINC000868025318 662591853 /nfs/dbraw/zinc/59/18/53/662591853.db2.gz XDFREZMZCSDUNZ-IAGOWNOFSA-N 1 0 377.282 2.823 20 0 GFADRO O=C(Nc1ccc(F)cc1I)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000868129442 662595258 /nfs/dbraw/zinc/59/52/58/662595258.db2.gz CPCFTXRBRYMFDV-OLZOCXBDSA-N 1 0 389.212 2.789 20 0 GFADRO O=C(Nc1ccc(F)cc1I)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000868129444 662595316 /nfs/dbraw/zinc/59/53/16/662595316.db2.gz CPCFTXRBRYMFDV-QWHCGFSZSA-N 1 0 389.212 2.789 20 0 GFADRO [NH3+][C@H]1C[C@@H](CNC(=O)Nc2ccnn2Cc2ccc(Br)cc2)C1 ZINC000868151483 662596563 /nfs/dbraw/zinc/59/65/63/662596563.db2.gz UVDHQZKZRSUGLI-XBXGTLAGSA-N 1 0 378.274 2.553 20 0 GFADRO O=C(Nc1ccc(I)cc1F)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000868169651 662597406 /nfs/dbraw/zinc/59/74/06/662597406.db2.gz CFMSNPIMFDSFCQ-CHWSQXEVSA-N 1 0 389.212 2.789 20 0 GFADRO CSc1ccc(NC(=O)C(=O)N2C3CCC2(C[NH3+])CC3)cc1Br ZINC000868287986 662600530 /nfs/dbraw/zinc/60/05/30/662600530.db2.gz SLDVDELRCPPZOX-UHFFFAOYSA-N 1 0 398.326 2.592 20 0 GFADRO CCOc1c(Cl)cc(NC(=O)C(=O)N2C3CCC2(C[NH3+])CC3)cc1Cl ZINC000868290870 662600897 /nfs/dbraw/zinc/60/08/97/662600897.db2.gz VADOWTSQCVFYHA-UHFFFAOYSA-N 1 0 386.279 2.813 20 0 GFADRO [NH3+]CC12CCC(CC1)N2C(=O)C(=O)Nc1ccc(Br)cc1Cl ZINC000868291628 662600911 /nfs/dbraw/zinc/60/09/11/662600911.db2.gz OTTVGRNKQHADFJ-UHFFFAOYSA-N 1 0 386.677 2.523 20 0 GFADRO O=C(NCc1ncc(Br)s1)NC[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000868792108 662619456 /nfs/dbraw/zinc/61/94/56/662619456.db2.gz ZOHKUMYPOHXADZ-CYBMUJFWSA-N 1 0 395.326 2.979 20 0 GFADRO CCN(C(=O)c1cc(Br)ncc1Br)[C@@H]1CC[N@H+](C)C1 ZINC000869239714 662637133 /nfs/dbraw/zinc/63/71/33/662637133.db2.gz PMRUXZRMNDGUIU-SECBINFHSA-N 1 0 391.107 2.773 20 0 GFADRO CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)Cc2cc(Cl)ccc2Br)C1 ZINC000869779908 662661621 /nfs/dbraw/zinc/66/16/21/662661621.db2.gz MNZFOEHNGCHVAZ-ZDUSSCGKSA-N 1 0 389.721 2.606 20 0 GFADRO CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)c2cc(Br)ccc2Cl)C1 ZINC000869785809 662662150 /nfs/dbraw/zinc/66/21/50/662662150.db2.gz FSEWFGRIDISTEI-NSHDSACASA-N 1 0 375.694 2.678 20 0 GFADRO CCC1([NH+]2CCCC2)CCN(C(=O)c2c(C)nn(C)c2Br)CC1 ZINC000870271200 662681913 /nfs/dbraw/zinc/68/19/13/662681913.db2.gz GYVHQHPBBHYNJI-UHFFFAOYSA-N 1 0 383.334 2.972 20 0 GFADRO C[C@@H]1CC[N@H+](CC(=O)Nc2ccc(N3CC[C@H](CO)C3)c(Br)c2)C1 ZINC000870888500 662705482 /nfs/dbraw/zinc/70/54/82/662705482.db2.gz NLRZUWBLZSKGRQ-KGLIPLIRSA-N 1 0 396.329 2.548 20 0 GFADRO CC[NH+](CC)CC(=O)Nc1ccc(N2CC[C@H](CO)C2)c(Br)c1 ZINC000870890310 662706593 /nfs/dbraw/zinc/70/65/93/662706593.db2.gz LFHRDRVLPVQBPZ-ZDUSSCGKSA-N 1 0 384.318 2.548 20 0 GFADRO O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cnn(-c2cccc(Br)c2)c1 ZINC000870975652 662712133 /nfs/dbraw/zinc/71/21/33/662712133.db2.gz YUXFMNIICUWPOY-BZWBGLRVSA-N 1 0 389.297 2.895 20 0 GFADRO CC(C)(C)[C@@]1(C[NH3+])CCN(C(=O)c2sc3c(c2Br)CNC3)C1 ZINC000870987683 662712367 /nfs/dbraw/zinc/71/23/67/662712367.db2.gz AFPGVPMRMOBEMQ-MRXNPFEDSA-N 1 0 386.359 2.951 20 0 GFADRO C[N@@H+]1CCN(C(=O)c2cc(=O)c3cc(Br)ccc3[nH]2)CCC1(C)C ZINC000871154314 662716382 /nfs/dbraw/zinc/71/63/82/662716382.db2.gz SMJFBBKDZQAPJB-UHFFFAOYSA-N 1 0 392.297 2.847 20 0 GFADRO [NH3+]C[C@H]1CN(S(=O)(=O)Cc2cccc(C(F)(F)F)c2)C[C@@H]1C(F)(F)F ZINC000871812912 662735066 /nfs/dbraw/zinc/73/50/66/662735066.db2.gz DTOQIUFDHBRRAH-JQWIXIFHSA-N 1 0 390.349 2.604 20 0 GFADRO [NH3+]C[C@H]1CN(S(=O)(=O)c2c(Cl)cccc2Cl)C[C@H]1C(F)(F)F ZINC000871812095 662735090 /nfs/dbraw/zinc/73/50/90/662735090.db2.gz VQAVVYJEHJYIPG-JGVFFNPUSA-N 1 0 377.215 2.751 20 0 GFADRO C[C@H]([NH2+][C@@H](C)c1ccnn1C)C(=O)Nc1cccc(I)c1 ZINC000871927757 662742922 /nfs/dbraw/zinc/74/29/22/662742922.db2.gz QBMCUEBAINPHDR-QWRGUYRKSA-N 1 0 398.248 2.703 20 0 GFADRO C[C@H](Nc1cc2n(n1)CC[N@H+](C)C2)C(=O)Nc1ccc(Br)cc1 ZINC000871929170 662743178 /nfs/dbraw/zinc/74/31/78/662743178.db2.gz SZYOYGDCXJHHCU-NSHDSACASA-N 1 0 378.274 2.530 20 0 GFADRO O[C@H](CN[C@@H](c1cccc(Br)c1)[C@@H]1CCOC1)C[NH+]1CCCC1 ZINC000872027974 662754137 /nfs/dbraw/zinc/75/41/37/662754137.db2.gz OPQPZXYOFXTQEA-NXHRZFHOSA-N 1 0 383.330 2.573 20 0 GFADRO OC1CCN(CCC[NH2+][C@@H](c2cccc(Br)c2)[C@H]2CCOC2)CC1 ZINC000872028697 662754161 /nfs/dbraw/zinc/75/41/61/662754161.db2.gz SAJZEHZLGOJRBY-LPHOPBHVSA-N 1 0 397.357 2.963 20 0 GFADRO CS(=O)(=O)CCC[NH2+][C@H](c1cccc(Br)c1)[C@H]1CCOC1 ZINC000872032030 662754229 /nfs/dbraw/zinc/75/42/29/662754229.db2.gz PGWXCXQAVMQZSF-DZGCQCFKSA-N 1 0 376.316 2.551 20 0 GFADRO C[C@@H]1CN(CC[NH2+][C@H](c2cccc(Br)c2)[C@@H]2CCOC2)CCO1 ZINC000872035824 662754430 /nfs/dbraw/zinc/75/44/30/662754430.db2.gz ZBOOAHVBBUCAFA-QGPMSJSTSA-N 1 0 383.330 2.837 20 0 GFADRO C[C@H](C[NH2+][C@H](c1cccc(Br)c1)[C@@H]1CCOC1)S(C)(=O)=O ZINC000872051156 662754815 /nfs/dbraw/zinc/75/48/15/662754815.db2.gz HQDKKAGLAKRVBV-UXIGCNINSA-N 1 0 376.316 2.549 20 0 GFADRO C[C@H](NC(=O)[C@H](C)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1)c1ccc(Cl)cc1 ZINC000872149240 662756845 /nfs/dbraw/zinc/75/68/45/662756845.db2.gz MQSOQWYKKPOLDF-HTTKSJEASA-N 1 0 377.838 2.975 20 0 GFADRO [NH3+]C[C@@H]1CN([C@@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)C[C@H]1C(F)(F)F ZINC000872152872 662757014 /nfs/dbraw/zinc/75/70/14/662757014.db2.gz WPPPZFAJTBYFAC-GLXFQSAKSA-N 1 0 379.785 2.653 20 0 GFADRO [NH3+]C[C@@H]1CN([C@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)C[C@H]1C(F)(F)F ZINC000872152877 662757066 /nfs/dbraw/zinc/75/70/66/662757066.db2.gz WPPPZFAJTBYFAC-UDZFHETQSA-N 1 0 379.785 2.653 20 0 GFADRO Cc1cnn([C@H]2CCC[NH2+]C2)c1-c1nc(-c2cncc(Br)c2)no1 ZINC000872173376 662757407 /nfs/dbraw/zinc/75/74/07/662757407.db2.gz OVLSEIXCEWMCQY-ZDUSSCGKSA-N 1 0 389.257 2.991 20 0 GFADRO O[C@@H](C[NH2+]CCn1ccc(C(F)(F)F)n1)c1ccc(Br)cc1 ZINC000872244336 662759209 /nfs/dbraw/zinc/75/92/09/662759209.db2.gz IPFPSSGMRHQTHI-LBPRGKRZSA-N 1 0 378.192 2.988 20 0 GFADRO CCOC(=O)[C@H](Cc1cc(Cl)cc(Cl)c1)NC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000872274154 662759685 /nfs/dbraw/zinc/75/96/85/662759685.db2.gz NCZDWXDLXSRQKD-IQFXKTMKSA-N 1 0 385.291 2.711 20 0 GFADRO CC1(C)CC[NH2+]CCN1C(=O)c1ccc(-n2cc(Br)cn2)cc1 ZINC000872291382 662759891 /nfs/dbraw/zinc/75/98/91/662759891.db2.gz SWYUYVRJJPBOST-UHFFFAOYSA-N 1 0 377.286 2.849 20 0 GFADRO C[NH+](C)CCn1cc(NCc2cccc(F)c2I)cn1 ZINC000873037884 662797269 /nfs/dbraw/zinc/79/72/69/662797269.db2.gz IQAVPDIICZNRFD-UHFFFAOYSA-N 1 0 388.228 2.801 20 0 GFADRO O=S1(=O)CCC[C@H]([NH2+]C[C@@](O)(c2ccc(Cl)cc2)C(F)(F)F)CC1 ZINC000873073623 662798871 /nfs/dbraw/zinc/79/88/71/662798871.db2.gz ZZVMSUCZGWVBNG-UONOGXRCSA-N 1 0 385.835 2.647 20 0 GFADRO O=S1(=O)CCC[C@H]([NH2+]C[C@](O)(c2ccc(Cl)cc2)C(F)(F)F)CC1 ZINC000873073621 662798886 /nfs/dbraw/zinc/79/88/86/662798886.db2.gz ZZVMSUCZGWVBNG-KBPBESRZSA-N 1 0 385.835 2.647 20 0 GFADRO COC[C@@H]([NH2+][C@@H]1CCCS(=O)(=O)CC1)c1cccc(Br)c1 ZINC000873152562 662801853 /nfs/dbraw/zinc/80/18/53/662801853.db2.gz UFNUSIYREFPXGQ-HUUCEWRRSA-N 1 0 376.316 2.694 20 0 GFADRO Cc1cc(Br)cn2c(CN3C[C@H](C(F)(F)F)[C@@H](C[NH3+])C3)cnc12 ZINC000873227032 662804131 /nfs/dbraw/zinc/80/41/31/662804131.db2.gz BHSXSBYUGHWEEU-GWCFXTLKSA-N 1 0 391.235 2.974 20 0 GFADRO [NH3+]C[C@H]1CN(Cc2nc3ccccn3c2Br)C[C@@H]1C(F)(F)F ZINC000873228537 662804317 /nfs/dbraw/zinc/80/43/17/662804317.db2.gz SYDYANYTHACCFJ-UWVGGRQHSA-N 1 0 377.208 2.666 20 0 GFADRO O=C(Nc1cc2c(cc1Br)OCCO2)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000873300598 662805007 /nfs/dbraw/zinc/80/50/07/662805007.db2.gz XZFSODJVJQEOFZ-HOCLYGCPSA-N 1 0 382.258 2.626 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)Nc2cc3c(cc2Cl)OCCO3)C[C@@H]1C(F)(F)F ZINC000873305066 662805063 /nfs/dbraw/zinc/80/50/63/662805063.db2.gz UFNSMSBEVLDDEI-IUCAKERBSA-N 1 0 379.766 2.712 20 0 GFADRO COc1ccc(NC(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)cc1Br ZINC000873308578 662805081 /nfs/dbraw/zinc/80/50/81/662805081.db2.gz FAXWZHNJDBRYEL-CYBMUJFWSA-N 1 0 398.301 2.738 20 0 GFADRO C[C@]12C[NH2+]C[C@H]1CN(C(=O)Nc1ccc(N3CCSCC3)c(Cl)c1)C2 ZINC000873306952 662805105 /nfs/dbraw/zinc/80/51/05/662805105.db2.gz DFOMJEUKXIEGEF-SCLBCKFNSA-N 1 0 380.945 2.966 20 0 GFADRO O=C(NC[C@H]1CC2(CO1)CC[NH2+]CC2)Nc1cc(F)ccc1Br ZINC000873312602 662805135 /nfs/dbraw/zinc/80/51/35/662805135.db2.gz QZKRVSRXDSVTFU-GFCCVEGCSA-N 1 0 386.265 2.868 20 0 GFADRO O=C(Nc1ccc2nccnc2c1Br)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000873324282 662805494 /nfs/dbraw/zinc/80/54/94/662805494.db2.gz LFQFDNDSJWOJCF-MLGOLLRUSA-N 1 0 376.258 2.798 20 0 GFADRO CCc1ccc(Br)c(NC(=O)C(=O)N(C)CC2CC[NH+](C)CC2)c1 ZINC000873706534 662812302 /nfs/dbraw/zinc/81/23/02/662812302.db2.gz SJRXEBZHEIQWFW-UHFFFAOYSA-N 1 0 396.329 2.750 20 0 GFADRO CCc1ccc(Br)c(NC(=O)C(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000873732141 662812781 /nfs/dbraw/zinc/81/27/81/662812781.db2.gz JPCFHANZEPNLLO-YPMHNXCESA-N 1 0 382.302 2.549 20 0 GFADRO CCO[C@@H](CC[NH+](C)C)CNC(=O)C(=O)Nc1cc(Cl)cc(Cl)c1F ZINC000873760447 662813348 /nfs/dbraw/zinc/81/33/48/662813348.db2.gz CYXBSXMAAXIBRC-NSHDSACASA-N 1 0 394.274 2.544 20 0 GFADRO CCc1ccc(Br)c(NC(=O)C(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000873831119 662815628 /nfs/dbraw/zinc/81/56/28/662815628.db2.gz SHWQFYFOMJQEGM-OCCSQVGLSA-N 1 0 396.329 2.891 20 0 GFADRO C[NH+](C)CCN(CCc1ccccc1)C(=O)c1cc(N)nc(Br)c1 ZINC000874087994 662822354 /nfs/dbraw/zinc/82/23/54/662822354.db2.gz ZFBKVXKWFQECTJ-UHFFFAOYSA-N 1 0 391.313 2.673 20 0 GFADRO CCn1ncc(C(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)c1Br ZINC000874101076 662822735 /nfs/dbraw/zinc/82/27/35/662822735.db2.gz AUVAWCGFNLDCPM-AWEZNQCLSA-N 1 0 383.265 2.837 20 0 GFADRO CN(C(=O)c1cc(N)nc(Br)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000874454624 662831599 /nfs/dbraw/zinc/83/15/99/662831599.db2.gz HTYQQQHKOAXPRB-UHFFFAOYSA-N 1 0 393.285 2.643 20 0 GFADRO C[N@@H+]1CCC[C@H]2[C@H]1CCN2C(=O)c1cc(Br)cnc1OCC1CC1 ZINC000874830352 662837867 /nfs/dbraw/zinc/83/78/67/662837867.db2.gz SHNKKVRHZVNGAC-CVEARBPZSA-N 1 0 394.313 2.942 20 0 GFADRO C[N@@H+]1CCC[C@H]2[C@H]1CCN2C(=O)c1cc(I)ccc1F ZINC000874837901 662837986 /nfs/dbraw/zinc/83/79/86/662837986.db2.gz MCUBIVYQCBJBKR-KGLIPLIRSA-N 1 0 388.224 2.739 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)N1CC[C@@H](O)[C@H]1c1ccc(Br)cc1 ZINC000875296088 662844310 /nfs/dbraw/zinc/84/43/10/662844310.db2.gz SINQMQINYASYMJ-DJIMGWMZSA-N 1 0 394.313 2.503 20 0 GFADRO Cc1ccc(NC(=O)[C@@H]2CC[N@@H+](C)C[C@@H]2c2cnn(C)c2)c(Br)n1 ZINC000875474105 662846553 /nfs/dbraw/zinc/84/65/53/662846553.db2.gz NKFSCYFHRAHQFZ-ZIAGYGMSSA-N 1 0 392.301 2.560 20 0 GFADRO O=C(NCc1ccc(Br)cn1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000876216964 662857054 /nfs/dbraw/zinc/85/70/54/662857054.db2.gz UEEJDGBLQFLEFF-UHFFFAOYSA-N 1 0 381.318 2.862 20 0 GFADRO Cc1sc(C[NH+]2CCC(C(=O)N3CCOCC3)CC2)cc1Br ZINC000876542825 662862581 /nfs/dbraw/zinc/86/25/81/662862581.db2.gz WEUYOQMUQQJVQJ-UHFFFAOYSA-N 1 0 387.343 2.890 20 0 GFADRO Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)NCc1sccc1Br ZINC000876631263 662863792 /nfs/dbraw/zinc/86/37/92/662863792.db2.gz RJICGQCQAVXZPS-LLVKDONJSA-N 1 0 383.315 2.870 20 0 GFADRO COC(=O)c1ccc(C[N@@H+]2CCC[C@@H](C3OCCO3)C2)cc1Br ZINC000876681127 662864665 /nfs/dbraw/zinc/86/46/65/662864665.db2.gz YLNXMRBREZYNEL-CYBMUJFWSA-N 1 0 384.270 2.821 20 0 GFADRO C[C@H](NC(=O)[C@H](F)[C@@H]1CC[NH2+]C1)c1nc(-c2ccc(Br)cc2)no1 ZINC000876704733 662864978 /nfs/dbraw/zinc/86/49/78/662864978.db2.gz DIQFRYKEPKZNJU-UFGOTCBOSA-N 1 0 397.248 2.624 20 0 GFADRO O=C(Nc1nccn1Cc1ccc(Br)cc1)[C@H](F)[C@@H]1CC[NH2+]C1 ZINC000876705361 662865102 /nfs/dbraw/zinc/86/51/02/662865102.db2.gz YQVWNNOAUATBSJ-TZMCWYRMSA-N 1 0 381.249 2.580 20 0 GFADRO COC(=O)c1cc(NC(=O)/C=C\[C@@H]2CCC[NH2+]C2)cc(Br)c1F ZINC000876909741 662867929 /nfs/dbraw/zinc/86/79/29/662867929.db2.gz GWJNMOVMHPPTDR-LWTINBJPSA-N 1 0 385.233 2.869 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)C2(c3cc(Cl)cc(Br)c3)CC2)CCCO1 ZINC000876917714 662868012 /nfs/dbraw/zinc/86/80/12/662868012.db2.gz CCMLWCXYYQMFQN-AWEZNQCLSA-N 1 0 387.705 2.710 20 0 GFADRO Nc1cc(C(=O)Nc2ncc(C3CC[NH2+]CC3)s2)cc(Br)n1 ZINC000876914811 662868015 /nfs/dbraw/zinc/86/80/15/662868015.db2.gz VYFRNIQBOXTXRI-UHFFFAOYSA-N 1 0 382.287 2.602 20 0 GFADRO Cc1ccc(S(=O)(=O)N2CCC([NH2+]C[C@H]3CC3(Cl)Cl)CC2)cc1 ZINC000876921254 662868149 /nfs/dbraw/zinc/86/81/49/662868149.db2.gz NCNMRLAIDFKDOM-CYBMUJFWSA-N 1 0 377.337 2.932 20 0 GFADRO C[C@@]1(Br)C[C@@H]1C(=O)N1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000876926562 662868222 /nfs/dbraw/zinc/86/82/22/662868222.db2.gz ZCIMMSOTOUFKAP-RDTXWAMCSA-N 1 0 395.345 2.756 20 0 GFADRO Nc1cc(C(=O)N2CC[C@@H](c3ccc(F)cc3)[C@H]([NH3+])C2)cc(Br)n1 ZINC000876923583 662868285 /nfs/dbraw/zinc/86/82/85/662868285.db2.gz WZOGHJFJHCTGMC-UONOGXRCSA-N 1 0 393.260 2.522 20 0 GFADRO COC(=O)c1sc2c(c1Br)CN(C(=O)[C@H]1C[C@H]([NH3+])C1(C)C)C2 ZINC000876981502 662869236 /nfs/dbraw/zinc/86/92/36/662869236.db2.gz RFOUPKLTYZOCFF-SCZZXKLOSA-N 1 0 387.299 2.513 20 0 GFADRO CSC(C)(C)CC[NH2+]Cc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 ZINC000876982778 662869240 /nfs/dbraw/zinc/86/92/40/662869240.db2.gz GPQFXHBGZYOXKP-MRXNPFEDSA-N 1 0 386.583 2.765 20 0 GFADRO [NH3+][C@H](C(=O)NC[C@H](n1cccn1)C(F)(F)F)c1cccc(Br)c1 ZINC000876990953 662869277 /nfs/dbraw/zinc/86/92/77/662869277.db2.gz FSDOALSATKAAHD-RYUDHWBXSA-N 1 0 391.191 2.565 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)c2sc(N3CCCC3)nc2Cl)CC[C@@H]1C(F)(F)F ZINC000877016217 662869652 /nfs/dbraw/zinc/86/96/52/662869652.db2.gz DELPHBHLSWMXTI-UWVGGRQHSA-N 1 0 396.866 2.996 20 0 GFADRO COc1nsc(CNC2CC[NH+](C[C@H]3CCCO3)CC2)c1Br ZINC000877030493 662869983 /nfs/dbraw/zinc/86/99/83/662869983.db2.gz DQBHEPQOOAVPHB-GFCCVEGCSA-N 1 0 390.347 2.647 20 0 GFADRO C[C@H]1C[C@@H](c2ccc(Br)cc2)CN1C(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC000877066988 662870657 /nfs/dbraw/zinc/87/06/57/662870657.db2.gz CCLPQCYLWNHMCR-WCQYABFASA-N 1 0 389.297 2.836 20 0 GFADRO C[C@@H]1C[C@@H](c2ccc(Br)cc2)CN1C(=O)c1c(C[NH3+])cnn1C ZINC000877067312 662870672 /nfs/dbraw/zinc/87/06/72/662870672.db2.gz GVGYWHCLSGISRS-DGCLKSJQSA-N 1 0 377.286 2.660 20 0 GFADRO CSCC[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)N(C)C[C@@H](C)[NH3+] ZINC000877096440 662870975 /nfs/dbraw/zinc/87/09/75/662870975.db2.gz GVXWUOYQSPARNM-QMTHXVAHSA-N 1 0 392.352 2.651 20 0 GFADRO O=C([C@@H](O)c1cc(Cl)cc(Cl)c1)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000877115372 662871338 /nfs/dbraw/zinc/87/13/38/662871338.db2.gz DIARRJKNGOMNCC-IRXDYDNUSA-N 1 0 387.307 2.644 20 0 GFADRO O=S1(=O)CCC(C[NH2+][C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2)CC1 ZINC000877166080 662871939 /nfs/dbraw/zinc/87/19/39/662871939.db2.gz VOQCVFKECUETGB-ZDUSSCGKSA-N 1 0 377.337 2.987 20 0 GFADRO Cc1cc(Br)c(C(=O)NC[C@H]2C[C@@H]([NH3+])C2)cc1Br ZINC000877242752 662872398 /nfs/dbraw/zinc/87/23/98/662872398.db2.gz YEWHFFBBYPVJFY-DTORHVGOSA-N 1 0 376.092 2.987 20 0 GFADRO O=C(CNC(=O)c1sc2ccccc2c1Cl)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000877277369 662872948 /nfs/dbraw/zinc/87/29/48/662872948.db2.gz MBPUUCCAEHCPQU-STQMWFEESA-N 1 0 377.897 2.637 20 0 GFADRO O=C(c1cc(-c2ccc(Br)cc2)n[nH]1)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000877289590 662873258 /nfs/dbraw/zinc/87/32/58/662873258.db2.gz UBDWGJXGYXDZKH-BBRMVZONSA-N 1 0 375.270 2.806 20 0 GFADRO O=C(N[C@@]12CCC[C@@H]1[NH2+]CC2)c1cc(F)c(F)cc1I ZINC000877394821 662875359 /nfs/dbraw/zinc/87/53/59/662875359.db2.gz URXNYXVXNNQRDD-GXTWGEPZSA-N 1 0 392.187 2.584 20 0 GFADRO O=C(N[C@@]12CCC[C@H]1[NH2+]CC2)c1[nH]nc(-c2ccccc2)c1Br ZINC000877394226 662875362 /nfs/dbraw/zinc/87/53/62/662875362.db2.gz UCMYNKJOEJADDF-SJKOYZFVSA-N 1 0 375.270 2.854 20 0 GFADRO COC(=O)c1ccc(C[NH2+]CCCCCS(C)(=O)=O)cc1Br ZINC000877423688 662875829 /nfs/dbraw/zinc/87/58/29/662875829.db2.gz JIUACGIUFGWVOY-UHFFFAOYSA-N 1 0 392.315 2.540 20 0 GFADRO COC(=O)N1CCC([C@H](C)[NH2+]Cc2snc(OC)c2Br)CC1 ZINC000877423858 662875847 /nfs/dbraw/zinc/87/58/47/662875847.db2.gz MGSRWVYRRARNCE-VIFPVBQESA-N 1 0 392.319 2.871 20 0 GFADRO CS(=O)(=O)c1ccc(Cl)c(C(=O)N2CC[C@@H](C[NH3+])c3ccccc32)c1 ZINC000877428448 662875850 /nfs/dbraw/zinc/87/58/50/662875850.db2.gz JPTJCTHZHJFPEA-LBPRGKRZSA-N 1 0 378.881 2.836 20 0 GFADRO O=C([C@@H](C[NH2+]C[C@@H]1CC1(Cl)Cl)Cc1cccc(F)c1)N1CCOCC1 ZINC000877485556 662877110 /nfs/dbraw/zinc/87/71/10/662877110.db2.gz ZETFXSCSCJOBBA-CABCVRRESA-N 1 0 389.298 2.627 20 0 GFADRO CCO[P@@](C)(=O)CC[C@@H](C)[NH2+]CCNS(=O)(=O)c1ccc(F)cc1F ZINC000877499697 662877314 /nfs/dbraw/zinc/87/73/14/662877314.db2.gz UACRTPRILWHUGR-OIRASMEMSA-N 1 0 398.412 2.556 20 0 GFADRO Cc1ccnc(CN2CCC(C[NH+]3CCN(C)CC3)CC2)c1Br ZINC000877525075 662878054 /nfs/dbraw/zinc/87/80/54/662878054.db2.gz PTBVWEPXYDZRCA-UHFFFAOYSA-N 1 0 381.362 2.612 20 0 GFADRO COC(=O)c1ccc(C[NH2+][C@@H](C)C[C@@H]2CCCC(=O)N2)c(Br)c1 ZINC000877527696 662878112 /nfs/dbraw/zinc/87/81/12/662878112.db2.gz NUZFPRWFUUDUKK-FZMZJTMJSA-N 1 0 383.286 2.773 20 0 GFADRO CCC(CC)(CNC(=O)OC(C)(C)C)C[NH2+]C[C@@H]1CCCS(=O)(=O)C1 ZINC000877534110 662878364 /nfs/dbraw/zinc/87/83/64/662878364.db2.gz YCFRYOSKRGUJIO-HNNXBMFYSA-N 1 0 376.563 2.732 20 0 GFADRO COC(=O)c1ccc(C[NH2+][C@H]2COc3ccccc3[C@@H]2O)cc1Br ZINC000877538111 662878534 /nfs/dbraw/zinc/87/85/34/662878534.db2.gz VMBUEBVNRXAJMZ-RDJZCZTQSA-N 1 0 392.249 2.820 20 0 GFADRO CCC(CC)(CNC(=O)OC(C)(C)C)C[N@@H+]1CC[C@@H](CS(C)(=O)=O)C1 ZINC000877545776 662878649 /nfs/dbraw/zinc/87/86/49/662878649.db2.gz FDRAQOOMVACMGT-OAHLLOKOSA-N 1 0 376.563 2.684 20 0 GFADRO OC[C@H](C[NH2+]Cc1ccc(Cl)nn1)Cc1ccc(F)c(Br)c1 ZINC000877573705 662879130 /nfs/dbraw/zinc/87/91/30/662879130.db2.gz SYDNAGQJCVIWRR-NSHDSACASA-N 1 0 388.668 2.972 20 0 GFADRO COc1cnc(F)c(CNc2cc(N3CCOCC3)c(Br)c[nH+]2)c1 ZINC000877575669 662879320 /nfs/dbraw/zinc/87/93/20/662879320.db2.gz AXKRANFOZTZGGX-UHFFFAOYSA-N 1 0 397.248 2.836 20 0 GFADRO CCO[P@](C)(=O)CC[C@H](C)[NH2+]C[C@@H]1CS(=O)(=O)c2ccccc2O1 ZINC000877604934 662879800 /nfs/dbraw/zinc/87/98/00/662879800.db2.gz SEJKGVRWOAAFPE-UDFDBXRZSA-N 1 0 375.427 2.534 20 0 GFADRO COC[C@H]([NH2+]Cc1ccc(C(=O)OC)c(Br)c1)C1CCOCC1 ZINC000877622324 662880163 /nfs/dbraw/zinc/88/01/63/662880163.db2.gz KYHWVNNBENCVGN-INIZCTEOSA-N 1 0 386.286 2.767 20 0 GFADRO Cn1ncc(Br)c1C[NH2+]C1CC(CCNC(=O)OC(C)(C)C)C1 ZINC000877676271 662881618 /nfs/dbraw/zinc/88/16/18/662881618.db2.gz ZZQBRFUQGLQNGG-UHFFFAOYSA-N 1 0 387.322 2.966 20 0 GFADRO CCOC(=O)c1cc(C[NH2+][C@@](C)(CO)Cc2ccc(Br)cc2)on1 ZINC000877697070 662882107 /nfs/dbraw/zinc/88/21/07/662882107.db2.gz HEOGYPQNBZSRCW-QGZVFWFLSA-N 1 0 397.269 2.697 20 0 GFADRO CCO[P@](C)(=O)CC[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1NS(=O)(=O)C1CC1 ZINC000877700559 662882224 /nfs/dbraw/zinc/88/22/24/662882224.db2.gz DFPHDQXMTCHLRV-MALQSCRYSA-N 1 0 380.491 2.692 20 0 GFADRO CC(C)(C)OC(=O)[C@H]1C[C@@H]([NH2+]Cc2cnn3cc(Br)cnc23)C1 ZINC000877719847 662882550 /nfs/dbraw/zinc/88/25/50/662882550.db2.gz FLTHDJTXRUAEPI-GSJFWJNXSA-N 1 0 381.274 2.702 20 0 GFADRO Cn1ncc(I)c1C[NH2+]C[C@H]1CCN(c2ccccc2)C1 ZINC000877774137 662883389 /nfs/dbraw/zinc/88/33/89/662883389.db2.gz HUSWZRAHANOWLT-CYBMUJFWSA-N 1 0 396.276 2.641 20 0 GFADRO COc1cc(C)c(C[N@H+](C)C[C@@H](O)c2cc(Br)no2)cc1OC ZINC000877904371 662885585 /nfs/dbraw/zinc/88/55/85/662885585.db2.gz IOMJGADIAZLFMD-GFCCVEGCSA-N 1 0 385.258 2.928 20 0 GFADRO COCCNC(=O)C1CC[NH+](C[C@H](O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000877916854 662885832 /nfs/dbraw/zinc/88/58/32/662885832.db2.gz OIJJXEHVVNXZQZ-INIZCTEOSA-N 1 0 375.296 2.501 20 0 GFADRO Cc1ccccc1C[N@@H+]1CCCN(C[C@H](O)c2cc(Br)no2)CC1 ZINC000877930736 662886271 /nfs/dbraw/zinc/88/62/71/662886271.db2.gz RUEDQBRIFRVKON-INIZCTEOSA-N 1 0 394.313 2.987 20 0 GFADRO Cn1ncc(Br)c1CC(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000877943190 662886592 /nfs/dbraw/zinc/88/65/92/662886592.db2.gz AYPFLQRXCKSWBQ-KRWDZBQOSA-N 1 0 391.313 2.678 20 0 GFADRO CC1CC[NH+](C[C@@H]2CCCN(C[C@H](O)c3cc(Br)no3)C2)CC1 ZINC000878017859 662888384 /nfs/dbraw/zinc/88/83/84/662888384.db2.gz PHMAFARDBSOGSE-GJZGRUSLSA-N 1 0 386.334 2.914 20 0 GFADRO CC(C)[C@H](CO)[N@@H+](Cc1ccccc1)C[C@H](O)c1cc(Br)no1 ZINC000878169398 662891015 /nfs/dbraw/zinc/89/10/15/662891015.db2.gz MCLVMUVPLQNIDP-GJZGRUSLSA-N 1 0 383.286 2.990 20 0 GFADRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)Cc1c(Br)cnn1C ZINC000878228156 662892044 /nfs/dbraw/zinc/89/20/44/662892044.db2.gz ULKGXSAXAVMULK-UHFFFAOYSA-N 1 0 393.329 2.882 20 0 GFADRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)Cc2c(Br)cnn2C)C1 ZINC000878385645 662895003 /nfs/dbraw/zinc/89/50/03/662895003.db2.gz RHLMYWLPWZTVDZ-HIFRSBDPSA-N 1 0 391.313 2.677 20 0 GFADRO OC[C@H]([NH2+]C[C@H](O)CC1(O)CCCCC1)c1ccc(Br)c(F)c1 ZINC000878645044 662901510 /nfs/dbraw/zinc/90/15/10/662901510.db2.gz GPSUGYPRYXXYBK-CJNGLKHVSA-N 1 0 390.293 2.657 20 0 GFADRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)Cc2c(Br)cnn2C)C1 ZINC000878846389 662907177 /nfs/dbraw/zinc/90/71/77/662907177.db2.gz UWDGNTMPIQAGAO-LSDHHAIUSA-N 1 0 397.361 2.838 20 0 GFADRO Cc1cc(Br)ncc1NC(=O)N(C)CC[NH+]1CC2(C1)CCOCC2 ZINC000878902538 662909022 /nfs/dbraw/zinc/90/90/22/662909022.db2.gz XWDGOOPKUSQHGI-UHFFFAOYSA-N 1 0 397.317 2.729 20 0 GFADRO Cn1ncc(Br)c1CC(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000879104473 662916851 /nfs/dbraw/zinc/91/68/51/662916851.db2.gz KUCBXVDVBDYYJB-UHFFFAOYSA-N 1 0 383.334 2.638 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)Cc2c(Br)cnn2C)C[N@@H+]1Cc1ccccc1 ZINC000879141725 662918243 /nfs/dbraw/zinc/91/82/43/662918243.db2.gz ACONVXLGAQSQNA-UKRRQHHQSA-N 1 0 391.313 2.504 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(Cc3nc(Cc4cccc(Br)c4)no3)CC[C@@H]21 ZINC000879571806 662929802 /nfs/dbraw/zinc/92/98/02/662929802.db2.gz CEGIGIVXKVKLHH-ZBFHGGJFSA-N 1 0 391.313 2.949 20 0 GFADRO CN1CC[NH+](C2CCN(Cc3cc(Br)cc(F)c3F)CC2)CC1 ZINC000879594830 662930196 /nfs/dbraw/zinc/93/01/96/662930196.db2.gz RXLVXQJOURLJKO-UHFFFAOYSA-N 1 0 388.300 2.939 20 0 GFADRO C[NH+]1CCC(n2cc(NC(=O)Nc3ccnc(Br)c3)cn2)CC1 ZINC000879668838 662935772 /nfs/dbraw/zinc/93/57/72/662935772.db2.gz ZYRADMNNNMNRKP-UHFFFAOYSA-N 1 0 379.262 2.951 20 0 GFADRO C[C@H](NC(=O)CN1CC[C@H]2[C@@H]1CCC[N@@H+]2C)c1ccc(Br)cc1 ZINC000880129066 662952168 /nfs/dbraw/zinc/95/21/68/662952168.db2.gz CJHDOKLWVFQEFH-JQFCIGGWSA-N 1 0 380.330 2.795 20 0 GFADRO O=C(NC[C@H]1CCC[N@H+]1CCCO)c1cc(Br)ccc1C1CC1 ZINC000880163301 662953158 /nfs/dbraw/zinc/95/31/58/662953158.db2.gz HZJKAJLKRQFWIE-OAHLLOKOSA-N 1 0 381.314 2.903 20 0 GFADRO O[C@@H](CN1CCC[C@H]([NH2+]C2CCOCC2)C1)c1ccccc1Br ZINC000880203813 662954587 /nfs/dbraw/zinc/95/45/87/662954587.db2.gz MXVHYQZUXGDXIX-YJBOKZPZSA-N 1 0 383.330 2.716 20 0 GFADRO O[C@@H](CN1CCC[C@@H]([NH2+]C2CCOCC2)C1)c1cccc(Br)c1 ZINC000880210541 662954735 /nfs/dbraw/zinc/95/47/35/662954735.db2.gz SSEZRPVEGWTCOT-MSOLQXFVSA-N 1 0 383.330 2.716 20 0 GFADRO O=S(=O)(CC[NH2+][C@@H]1CCC[C@]12CCCO2)c1ccc(Br)cc1 ZINC000880511077 662961205 /nfs/dbraw/zinc/96/12/05/662961205.db2.gz JVXDFFOPFKKIIV-CVEARBPZSA-N 1 0 388.327 2.914 20 0 GFADRO O[C@H](COc1ccc(Cl)c(Cl)c1)C[NH+]1CCC2(CC1)COCCO2 ZINC000880541075 662962146 /nfs/dbraw/zinc/96/21/46/662962146.db2.gz RSMKZNIBTXVWGZ-ZDUSSCGKSA-N 1 0 376.280 2.615 20 0 GFADRO Cn1c(C[NH+]2CCC3(CC2)COCCO3)nc2ccc(Br)cc21 ZINC000880545918 662962320 /nfs/dbraw/zinc/96/23/20/662962320.db2.gz GEZRRSMEDBCHSN-UHFFFAOYSA-N 1 0 380.286 2.717 20 0 GFADRO COc1cc(Br)ccc1NC(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000880633187 662966397 /nfs/dbraw/zinc/96/63/97/662966397.db2.gz YESRQFHQXWEHPT-CYBMUJFWSA-N 1 0 398.301 2.644 20 0 GFADRO CC(=O)c1ccc(Br)c(NC(=O)N[C@H]2CC[N@H+](CC(C)(C)O)C2)c1 ZINC000880811820 662974822 /nfs/dbraw/zinc/97/48/22/662974822.db2.gz KHNLDQXXVIDLBR-ZDUSSCGKSA-N 1 0 398.301 2.618 20 0 GFADRO CSc1ccc2cc(Cn3cc(CC[C@@H](O)C[NH3+])nn3)c(Cl)nc2c1 ZINC000881055045 662981449 /nfs/dbraw/zinc/98/14/49/662981449.db2.gz SIWDLASJNZLFTB-CQSZACIVSA-N 1 0 377.901 2.502 20 0 GFADRO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)Nc1cc(Br)cc2c1NC(=O)CO2 ZINC000881272507 662987727 /nfs/dbraw/zinc/98/77/27/662987727.db2.gz YBSAHHMZHRFUOD-SNVBAGLBSA-N 1 0 399.289 2.630 20 0 GFADRO C[C@@](O)(Cn1cc(C[C@@H]2CCC[NH2+]C2)nn1)c1ccc(Br)cc1F ZINC000881424670 662993891 /nfs/dbraw/zinc/99/38/91/662993891.db2.gz PEMNGFIKWKGGIS-YVEFUNNKSA-N 1 0 397.292 2.630 20 0 GFADRO CC(C)n1ncc(C(=O)N2CCN(c3cc[nH+]cc3)[C@H](C)C2)c1Br ZINC000881629779 662998234 /nfs/dbraw/zinc/99/82/34/662998234.db2.gz JUBLBMDSVIOSKO-CYBMUJFWSA-N 1 0 392.301 2.972 20 0 GFADRO C[C@H](CC(=O)N1CCN(c2cc[nH+]cc2)[C@@H](C)C1)n1cc(Br)cn1 ZINC000881630809 662998563 /nfs/dbraw/zinc/99/85/63/662998563.db2.gz NJWUYCIHJMJZHJ-KGLIPLIRSA-N 1 0 392.301 2.729 20 0 GFADRO C[NH+](C)CCOc1cccc(CNS(=O)(=O)CC[C@@H]2CC2(Cl)Cl)c1 ZINC000881795164 663003523 /nfs/dbraw/zinc/00/35/23/663003523.db2.gz DTTHXQAJMOSAQF-CQSZACIVSA-N 1 0 395.352 2.630 20 0 GFADRO CCCC[N@H+](C)CC1CCN(c2ccc3nnc(Br)n3n2)CC1 ZINC000881828395 663005029 /nfs/dbraw/zinc/00/50/29/663005029.db2.gz DSRZKSLCFJENCN-UHFFFAOYSA-N 1 0 381.322 2.835 20 0 GFADRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2S(=O)(=O)c2cnc(Cl)cc2C(F)(F)F)C1 ZINC000882001247 663013089 /nfs/dbraw/zinc/01/30/89/663013089.db2.gz NBLUSHVBTZWSOA-JQWIXIFHSA-N 1 0 397.850 2.859 20 0 GFADRO C[NH+](C)CCCC1CCN(S(=O)(=O)N=[S@@](C)(=O)C2CCCCC2)CC1 ZINC000882031158 663014193 /nfs/dbraw/zinc/01/41/93/663014193.db2.gz AJWOUASMLXCDNM-DEOSSOPVSA-N 1 0 393.619 2.716 20 0 GFADRO C[N@H+](CCCCNS(=O)(=O)c1cnc(Cl)cc1C(F)(F)F)C1CC1 ZINC000882244856 663022318 /nfs/dbraw/zinc/02/23/18/663022318.db2.gz FFDSUABAYRIOSY-UHFFFAOYSA-N 1 0 385.839 2.907 20 0 GFADRO C[NH+](C)C1CCC2(CC1)CCN(c1ccc3nnc(Br)n3n1)CC2 ZINC000882406281 663026943 /nfs/dbraw/zinc/02/69/43/663026943.db2.gz VUOVJAJFVHOKNG-UHFFFAOYSA-N 1 0 393.333 2.978 20 0 GFADRO C[C@@H](C[NH+](C)C)[C@@H]1CCCCN1S(=O)(=O)c1c(Cl)nc2sccn21 ZINC000882431109 663027546 /nfs/dbraw/zinc/02/75/46/663027546.db2.gz IVXZEPVRANVFHL-RYUDHWBXSA-N 1 0 390.962 2.790 20 0 GFADRO CC1([NH+]2CCCC2)CCN(S(=O)(=O)N=[S@](C)(=O)C2CCCCC2)CC1 ZINC000882474440 663028590 /nfs/dbraw/zinc/02/85/90/663028590.db2.gz KMUFYSHYTJCNFT-XMMPIXPASA-N 1 0 391.603 2.612 20 0 GFADRO CC[N@@H+]1CC[C@@H]1CNC(=O)c1c(C)c2cc(Br)ccc2oc1=O ZINC000882487200 663028889 /nfs/dbraw/zinc/02/88/89/663028889.db2.gz BMZNWWXVNDSYDU-GFCCVEGCSA-N 1 0 379.254 2.688 20 0 GFADRO CC[N@@H+]1CC[C@H]1CNC(=O)c1c(F)ccc(I)c1Cl ZINC000882498384 663029171 /nfs/dbraw/zinc/02/91/71/663029171.db2.gz VKKSOEVUZGMPDH-QMMMGPOBSA-N 1 0 396.631 2.908 20 0 GFADRO CC1([NH+]2CCC2)CCN(C(=O)C2(c3cncc(Br)c3)CC2)CC1 ZINC000882510546 663029579 /nfs/dbraw/zinc/02/95/79/663029579.db2.gz OXUPCMCXCKXVAX-UHFFFAOYSA-N 1 0 378.314 2.963 20 0 GFADRO CC1([NH+]2CCC2)CCN(S(=O)(=O)c2ccc3nc(Cl)cnc3c2)CC1 ZINC000882768748 663041193 /nfs/dbraw/zinc/04/11/93/663041193.db2.gz QWAWYHQUYUXPGY-UHFFFAOYSA-N 1 0 380.901 2.532 20 0 GFADRO CN(Cc1c(F)cccc1Cl)S(=O)(=O)N1CCC(C)([NH+]2CCC2)CC1 ZINC000882769355 663041291 /nfs/dbraw/zinc/04/12/91/663041291.db2.gz SBANNSZRPUMCEF-UHFFFAOYSA-N 1 0 389.924 2.716 20 0 GFADRO CN(CCCC[NH+]1CCCCC1)S(=O)(=O)N=[S@](C)(=O)c1ccccc1 ZINC000882798171 663042604 /nfs/dbraw/zinc/04/26/04/663042604.db2.gz VZXQMVBLXKWIFJ-XMMPIXPASA-N 1 0 387.571 2.586 20 0 GFADRO COCC[NH+]1CCC(NC(=O)N(C)Cc2cscc2Br)CC1 ZINC000883206240 663051399 /nfs/dbraw/zinc/05/13/99/663051399.db2.gz OAJJABMEWJOHGI-UHFFFAOYSA-N 1 0 390.347 2.763 20 0 GFADRO O=S1(=O)CCC[C@H]1CC[NH2+]CC1=Cc2cc(Br)ccc2OC1 ZINC000883299632 663053009 /nfs/dbraw/zinc/05/30/09/663053009.db2.gz APPMTOYUQLLUPM-HNNXBMFYSA-N 1 0 386.311 2.782 20 0 GFADRO CS(=O)(=O)[C@H]1C[C@H]([NH2+][C@H](c2cccc(Br)c2)[C@H]2CCOC2)C1 ZINC000883376302 663054258 /nfs/dbraw/zinc/05/42/58/663054258.db2.gz IGQSSEIQMRPEDF-QCEMKRCNSA-N 1 0 388.327 2.692 20 0 GFADRO CS(=O)(=O)[C@H]1C[C@H]([NH2+]Cc2cc(Cl)ccc2OCc2cccnc2)C1 ZINC000883379016 663054424 /nfs/dbraw/zinc/05/44/24/663054424.db2.gz JCIXPSXWBUKDAL-QAQDUYKDSA-N 1 0 380.897 2.979 20 0 GFADRO O=C(NCCCCC[NH+]1CCCCC1)NC[C@H](O)C(F)(F)C(F)(F)F ZINC000883437567 663055280 /nfs/dbraw/zinc/05/52/80/663055280.db2.gz WBDGJCBAIDPNPE-LBPRGKRZSA-N 1 0 375.382 2.500 20 0 GFADRO CCC1([NH3+])CCN(S(=O)(=O)c2cc3c(cc2Cl)CCCC(=O)N3)CC1 ZINC000883483169 663056085 /nfs/dbraw/zinc/05/60/85/663056085.db2.gz WECCJGGADFRRPJ-UHFFFAOYSA-N 1 0 385.917 2.507 20 0 GFADRO CCCC(=O)NC[C@@H]1CCCN(C(=O)[C@@H]([NH3+])c2ccc(Br)cc2)C1 ZINC000884114101 663065327 /nfs/dbraw/zinc/06/53/27/663065327.db2.gz IHJCHCNINDOMQP-GUYCJALGSA-N 1 0 396.329 2.604 20 0 GFADRO [NH3+][C@H](C(=O)N1CCC(OC[C@H]2CCCO2)CC1)c1ccc(Br)cc1 ZINC000884111069 663065427 /nfs/dbraw/zinc/06/54/27/663065427.db2.gz AVVPJEAQHWKRCR-SJORKVTESA-N 1 0 397.313 2.636 20 0 GFADRO CC(C)(C)c1nnc(CNC(=O)[C@@H]([NH3+])c2ccc(Br)cc2)s1 ZINC000884171914 663066362 /nfs/dbraw/zinc/06/63/62/663066362.db2.gz HICRWKOVRWTTIZ-LBPRGKRZSA-N 1 0 383.315 2.914 20 0 GFADRO CC1(C)[NH2+]CC[C@@H]1NC(=O)c1cc(Br)nn1-c1ncccc1Cl ZINC000884304628 663068408 /nfs/dbraw/zinc/06/84/08/663068408.db2.gz WDGJDYUMBWNABR-NSHDSACASA-N 1 0 398.692 2.554 20 0 GFADRO C[C@H]1C[C@H]([NH3+])CCN1C(=O)c1cc(Br)nn1-c1ncccc1Cl ZINC000884390509 663069978 /nfs/dbraw/zinc/06/99/78/663069978.db2.gz XVICNLLAVAMGEY-VHSXEESVSA-N 1 0 398.692 2.635 20 0 GFADRO C[N@@H+]1CCN(CCNc2nc3ccc(Br)cc3c(=O)[nH]2)CC1(C)C ZINC000884496799 663071715 /nfs/dbraw/zinc/07/17/15/663071715.db2.gz HPOYGPJGBSCTEY-UHFFFAOYSA-N 1 0 394.317 2.536 20 0 GFADRO C[NH+](C)CCC[C@@H]1CN(c2nc3ccc(Br)cc3c(=O)[nH]2)CCO1 ZINC000884560618 663072526 /nfs/dbraw/zinc/07/25/26/663072526.db2.gz CULSFZAZIULMNA-CYBMUJFWSA-N 1 0 395.301 2.645 20 0 GFADRO CC1(C)C[NH2+]CC[C@H](NC(=O)C(=O)NCCc2ccc(Cl)cc2Cl)C1 ZINC000884667414 663073410 /nfs/dbraw/zinc/07/34/10/663073410.db2.gz JRTGZABGYJEEGG-AWEZNQCLSA-N 1 0 386.323 2.547 20 0 GFADRO Cc1ccc(Br)c(CS(=O)(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000884960456 663079936 /nfs/dbraw/zinc/07/99/36/663079936.db2.gz VWGMAQXKIGNSRB-HUUCEWRRSA-N 1 0 387.343 2.804 20 0 GFADRO C[NH+]1CCC(CC(=O)N2CCC[C@@](O)(c3ccc(Br)cc3)C2)CC1 ZINC000884967645 663080357 /nfs/dbraw/zinc/08/03/57/663080357.db2.gz GPAINRVJNRMTED-IBGZPJMESA-N 1 0 395.341 2.991 20 0 GFADRO O=C(NC[C@H]1CC[N@@H+]1C1CCOCC1)c1ccc(C(F)(F)F)nc1Cl ZINC000885875071 663099882 /nfs/dbraw/zinc/09/98/82/663099882.db2.gz FJDOAZFCWNFWOF-LLVKDONJSA-N 1 0 377.794 2.737 20 0 GFADRO O=C(Cc1cc(Br)ccc1F)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000885876715 663100064 /nfs/dbraw/zinc/10/00/64/663100064.db2.gz WRLRFRWHRBFRKR-OAHLLOKOSA-N 1 0 385.277 2.500 20 0 GFADRO C[C@H](Oc1ccc(Br)cc1)C(=O)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000885882900 663100294 /nfs/dbraw/zinc/10/02/94/663100294.db2.gz LVPAOFKFFSRZPH-XJKSGUPXSA-N 1 0 397.313 2.586 20 0 GFADRO Cc1ccc(F)c(Br)c1C(=O)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000885895591 663100890 /nfs/dbraw/zinc/10/08/90/663100890.db2.gz IBPBUUGQVJZVRI-CYBMUJFWSA-N 1 0 385.277 2.880 20 0 GFADRO C[C@@](O)(C[NH+]1CCC(C(=O)Nc2ccc(Br)cn2)CC1)C(F)F ZINC000886051722 663102679 /nfs/dbraw/zinc/10/26/79/663102679.db2.gz BVUWGIWEPOQCAK-OAHLLOKOSA-N 1 0 392.244 2.511 20 0 GFADRO CO[C@@H]1CCC[C@@H]([NH2+]CCNS(=O)(=O)c2ccc(F)cc2Cl)CC1 ZINC000886107724 663103423 /nfs/dbraw/zinc/10/34/23/663103423.db2.gz YGFKIYHWDRSJCY-ZIAGYGMSSA-N 1 0 378.897 2.695 20 0 GFADRO O[C@@H]1CC[C@@H]([NH2+]Cc2nc(-c3ccc(Br)cc3)c[nH]2)CC[C@@H]1O ZINC000886260329 663106507 /nfs/dbraw/zinc/10/65/07/663106507.db2.gz URTASMNLXORPKU-MKZZRHPPSA-N 1 0 380.286 2.593 20 0 GFADRO CCOC(=O)c1sc(CC2CC[NH+](C[C@@](C)(O)C(F)F)CC2)nc1C ZINC000886317050 663108130 /nfs/dbraw/zinc/10/81/30/663108130.db2.gz XDXRZRHCDLNKNY-QGZVFWFLSA-N 1 0 376.469 2.899 20 0 GFADRO CC[NH+]1CCC(N(c2ccccc2OC)S(=O)(=O)c2ccns2)CC1 ZINC000886404660 663110293 /nfs/dbraw/zinc/11/02/93/663110293.db2.gz ABHJVKUDMMXCNI-UHFFFAOYSA-N 1 0 381.523 2.831 20 0 GFADRO OC[C@@]1(C(F)(F)F)CC[N@H+](C[C@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000886793590 663118863 /nfs/dbraw/zinc/11/88/63/663118863.db2.gz OWSCNJHHPIDQTM-SMDDNHRTSA-N 1 0 388.213 2.980 20 0 GFADRO O=C(NC1(c2ncc(Br)cn2)CCC1)C1CC[NH+](C2CC2)CC1 ZINC000886840546 663121978 /nfs/dbraw/zinc/12/19/78/663121978.db2.gz HPFLWORTYLPVLW-UHFFFAOYSA-N 1 0 379.302 2.609 20 0 GFADRO Cc1cc(Br)ccc1CS(=O)(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000886886462 663123462 /nfs/dbraw/zinc/12/34/62/663123462.db2.gz HMZFKFDUABOXRU-HNNXBMFYSA-N 1 0 375.332 2.709 20 0 GFADRO [NH3+]CCN(Cc1cccc(Cl)c1)S(=O)(=O)c1ccc(C(F)(F)F)nc1 ZINC000886894371 663123880 /nfs/dbraw/zinc/12/38/80/663123880.db2.gz LIGQZFHHRQZWFY-UHFFFAOYSA-N 1 0 393.818 2.903 20 0 GFADRO COc1ccc(S(=O)(=O)NC[C@@H]2C[NH2+]CCC2(F)F)c(Cl)c1Cl ZINC000886896515 663123941 /nfs/dbraw/zinc/12/39/41/663123941.db2.gz MDVAWDKCBPLVQK-QMMMGPOBSA-N 1 0 389.251 2.525 20 0 GFADRO O=S(=O)(c1ccc(F)cc1Br)N1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886899926 663124183 /nfs/dbraw/zinc/12/41/83/663124183.db2.gz YQCDCFASQDVBAX-OAHLLOKOSA-N 1 0 391.306 2.743 20 0 GFADRO COCCOc1ccc(NC(=O)NC[C@@H]2C[NH2+]CCC2(F)F)cc1Cl ZINC000886931431 663125089 /nfs/dbraw/zinc/12/50/89/663125089.db2.gz OHJNIEQBTSWCBY-NSHDSACASA-N 1 0 377.819 2.732 20 0 GFADRO COc1ccc(NC(=O)NC[C@@H]2C[NH2+]CCC2(F)F)cc1Br ZINC000886934345 663125287 /nfs/dbraw/zinc/12/52/87/663125287.db2.gz TVRDNAGSINBKNA-VIFPVBQESA-N 1 0 378.217 2.824 20 0 GFADRO OC1(C2(C[NH2+]Cc3nnnn3-c3ccccc3Br)CCC2)CCC1 ZINC000886975756 663126986 /nfs/dbraw/zinc/12/69/86/663126986.db2.gz YKPHMKVPKLGFMU-UHFFFAOYSA-N 1 0 392.301 2.600 20 0 GFADRO CC[C@H](C)[C@H]([NH2+]Cc1ccnc(-c2ccc(Br)cc2)n1)C(N)=O ZINC000887057473 663130005 /nfs/dbraw/zinc/13/00/05/663130005.db2.gz HGAZMIVXDIYTGZ-NHYWBVRUSA-N 1 0 377.286 2.896 20 0 GFADRO C[N@@H+]1C[C@@H]2CN(C(=O)c3ccn(-c4cccc(Br)c4)n3)C[C@]2(C)C1 ZINC000887933150 663170649 /nfs/dbraw/zinc/17/06/49/663170649.db2.gz FRAHJBIYBGDDDW-ACJLOTCBSA-N 1 0 389.297 2.659 20 0 GFADRO Cc1c(Br)cncc1NC(=O)[C@@H]1CC[N@@H+](C)C[C@H]1c1cnn(C)c1 ZINC000888902687 663224537 /nfs/dbraw/zinc/22/45/37/663224537.db2.gz ZUILQBNYDZONIB-KGLIPLIRSA-N 1 0 392.301 2.560 20 0 GFADRO CN1CCN(C(=O)c2ccc(OC(F)(F)F)c(Cl)c2)CC[N@H+](C)CC1 ZINC000888979422 663227825 /nfs/dbraw/zinc/22/78/25/663227825.db2.gz RVYWFSFEVOJRCC-UHFFFAOYSA-N 1 0 379.810 2.558 20 0 GFADRO C[NH+]1CCC2(CCN2C(=O)c2cnnn2-c2cc(Cl)ccc2Cl)CC1 ZINC000889218788 663237730 /nfs/dbraw/zinc/23/77/30/663237730.db2.gz XLNYGRFSQGIBOI-UHFFFAOYSA-N 1 0 380.279 2.884 20 0 GFADRO COc1cc(Br)c(C(=O)N2CCC23CC[NH+](C)CC3)cc1OC ZINC000889221947 663237829 /nfs/dbraw/zinc/23/78/29/663237829.db2.gz YPDMHFZFJCSBSW-UHFFFAOYSA-N 1 0 383.286 2.777 20 0 GFADRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cn(C)nc1Br ZINC000889293203 663239821 /nfs/dbraw/zinc/23/98/21/663239821.db2.gz HUELYRNXHIAVBF-HNNXBMFYSA-N 1 0 391.313 2.777 20 0 GFADRO O=C(CCCc1ccc(Br)cc1)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000889741077 663262110 /nfs/dbraw/zinc/26/21/10/663262110.db2.gz ATFDUSKOWOPQTM-ROUUACIJSA-N 1 0 395.341 2.829 20 0 GFADRO Cc1cc(Br)cc(C(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)c1C ZINC000889747831 663262567 /nfs/dbraw/zinc/26/25/67/663262567.db2.gz BQRQGGVGHFUFSX-IRXDYDNUSA-N 1 0 381.314 2.737 20 0 GFADRO O=C([C@@H]1C[C@H]1c1cccc(Br)c1)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000889749192 663262710 /nfs/dbraw/zinc/26/27/10/663262710.db2.gz FZMLRGDMFQTFES-MHORFTMASA-N 1 0 393.325 2.610 20 0 GFADRO Cc1ccc(C(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)c(C)c1Br ZINC000889757420 663263561 /nfs/dbraw/zinc/26/35/61/663263561.db2.gz SPESJQTVJVAJHQ-CVEARBPZSA-N 1 0 381.314 2.737 20 0 GFADRO Cc1ccc(C(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)c(C)c1Br ZINC000889757429 663263713 /nfs/dbraw/zinc/26/37/13/663263713.db2.gz SPESJQTVJVAJHQ-HOTGVXAUSA-N 1 0 381.314 2.737 20 0 GFADRO C[C@H](Cc1ccc(Br)cc1)C(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000889760456 663264200 /nfs/dbraw/zinc/26/42/00/663264200.db2.gz GKJPYHWSNGMPRT-JLSDUUJJSA-N 1 0 395.341 2.685 20 0 GFADRO C[NH+](C)C1(CNC(=O)C(=O)Nc2cccc(F)c2Br)CCCC1 ZINC000889760962 663264545 /nfs/dbraw/zinc/26/45/45/663264545.db2.gz CMPQIVCLHGPZOB-UHFFFAOYSA-N 1 0 386.265 2.517 20 0 GFADRO O=C(c1ccc(Cl)cc1Br)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000889763180 663264927 /nfs/dbraw/zinc/26/49/27/663264927.db2.gz MVDLOIJPRSJOFA-GJZGRUSLSA-N 1 0 387.705 2.774 20 0 GFADRO CC[NH+](CC)[C@@H](CNC(=O)C(=O)Nc1cncc(Cl)c1)c1ccsc1 ZINC000889793256 663267577 /nfs/dbraw/zinc/26/75/77/663267577.db2.gz FPKJXESHQKCHBA-HNNXBMFYSA-N 1 0 380.901 2.934 20 0 GFADRO O=C(c1cc2c(cc1Br)OCO2)N1CCC([NH2+]C2CCC2)CC1 ZINC000889821632 663270247 /nfs/dbraw/zinc/27/02/47/663270247.db2.gz XTUOLPPCEHDVJA-UHFFFAOYSA-N 1 0 381.270 2.925 20 0 GFADRO Cn1cc(C(=O)NC[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)c(Br)n1 ZINC000890383888 663298180 /nfs/dbraw/zinc/29/81/80/663298180.db2.gz UQMYZYVXAYOLOS-GOSISDBHSA-N 1 0 391.313 2.825 20 0 GFADRO CN(CC(C)(C)C[NH+](C)C)C(=O)C(F)(F)c1ncccc1Br ZINC000890878401 663315874 /nfs/dbraw/zinc/31/58/74/663315874.db2.gz HWEJHVHBGITSES-UHFFFAOYSA-N 1 0 378.261 2.982 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)NCc2cc(F)ccc2Br)C[C@@H]1C(F)(F)F ZINC000891394070 663338269 /nfs/dbraw/zinc/33/82/69/663338269.db2.gz GVGRGRXSCJVMJP-ONGXEEELSA-N 1 0 398.198 2.867 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)NCc2cc(F)ccc2Br)C[C@H]1C(F)(F)F ZINC000891394065 663338336 /nfs/dbraw/zinc/33/83/36/663338336.db2.gz GVGRGRXSCJVMJP-GXSJLCMTSA-N 1 0 398.198 2.867 20 0 GFADRO [NH3+][C@H]1C[C@H](CNC(=O)NCC2(c3ccc(Br)cc3)CCOCC2)C1 ZINC000891479153 663340695 /nfs/dbraw/zinc/34/06/95/663340695.db2.gz PLKMELHGGFVOQW-SAZUREKKSA-N 1 0 396.329 2.534 20 0 GFADRO COCCC1(NC(=O)N[C@@H]2C[C@H]2c2cccc(Br)c2)CC[NH2+]CC1 ZINC000891859362 663353139 /nfs/dbraw/zinc/35/31/39/663353139.db2.gz BRDWPQJQSMIXOF-JKSUJKDBSA-N 1 0 396.329 2.763 20 0 GFADRO C[C@H](NC(=O)N1CCc2sc(C[NH3+])nc2C1)c1ccc(Br)cn1 ZINC000891867414 663353372 /nfs/dbraw/zinc/35/33/72/663353372.db2.gz OYXXIGVBTSSUEY-VIFPVBQESA-N 1 0 396.314 2.588 20 0 GFADRO O=C(NCCCCn1cc(Br)cn1)N1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000891863998 663353418 /nfs/dbraw/zinc/35/34/18/663353418.db2.gz DFKFXJGAJITNPD-QGZVFWFLSA-N 1 0 398.349 2.601 20 0 GFADRO CCn1c(Br)c(Br)nc1CN1CC[C@H](C[NH+](C)C)C1 ZINC000892034521 663359952 /nfs/dbraw/zinc/35/99/52/663359952.db2.gz PPZKBWHASNSLIT-SNVBAGLBSA-N 1 0 394.155 2.812 20 0 GFADRO CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)Cc1nc(Br)c[nH]1 ZINC000892150426 663363533 /nfs/dbraw/zinc/36/35/33/663363533.db2.gz LZQBUUFORGDKHP-UHFFFAOYSA-N 1 0 398.393 2.800 20 0 GFADRO O=C(N[C@@H]1[C@H]2Cc3c(cccc3Br)[C@@H]12)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000892192238 663365482 /nfs/dbraw/zinc/36/54/82/663365482.db2.gz XHQQSFRLGBXILU-MTJZNWHXSA-N 1 0 390.325 2.775 20 0 GFADRO [NH3+]C1(CNC(=O)NCc2ccc3ccc(Br)cc3c2)CCOCC1 ZINC000892278960 663368110 /nfs/dbraw/zinc/36/81/10/663368110.db2.gz IXAMDCIAMVQABY-UHFFFAOYSA-N 1 0 392.297 2.909 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)N[C@@H]2[C@@H]3Cc4c(cccc4Br)[C@@H]32)C1 ZINC000892321980 663369117 /nfs/dbraw/zinc/36/91/17/663369117.db2.gz GPSSJWCUDNUYMK-UFUVZKMWSA-N 1 0 378.314 2.856 20 0 GFADRO Cn1ncc(Br)c1CC(=O)N[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000892415650 663372799 /nfs/dbraw/zinc/37/27/99/663372799.db2.gz GEKDJNYAUCCMSY-SFHVURJKSA-N 1 0 391.313 2.506 20 0 GFADRO O=C(NCc1ncc(Br)cn1)NC1CC[NH+](CC2CCCC2)CC1 ZINC000892451792 663374079 /nfs/dbraw/zinc/37/40/79/663374079.db2.gz DJIACFNNHQIYEU-UHFFFAOYSA-N 1 0 396.333 2.693 20 0 GFADRO COc1ccc([C@H](C)[NH2+][C@H](C)[C@@H]2CCS(=O)(=O)C2)cc1Br ZINC000892469982 663374731 /nfs/dbraw/zinc/37/47/31/663374731.db2.gz VNOJWCWSGHOBLM-DMDPSCGWSA-N 1 0 376.316 2.932 20 0 GFADRO CC1(C)C[NH2+]CC[C@H](NC(=O)N[C@@H](CO)c2cccc(Br)c2)C1 ZINC000892495295 663375342 /nfs/dbraw/zinc/37/53/42/663375342.db2.gz OXPXQLRSJKDXSA-GJZGRUSLSA-N 1 0 384.318 2.560 20 0 GFADRO C[NH+](C)C[C@@H]1CCN(c2ncnc3c2c(Br)nn3C(C)(C)C)C1 ZINC000892521113 663376513 /nfs/dbraw/zinc/37/65/13/663376513.db2.gz JMFIDQQTYNKABU-NSHDSACASA-N 1 0 381.322 2.732 20 0 GFADRO [NH3+][C@H]1C[C@@H](CNC(=O)N2CCC[C@H](Nc3cccc(Br)c3)C2)C1 ZINC000892553908 663377090 /nfs/dbraw/zinc/37/70/90/663377090.db2.gz XKSLZUNRMKRXBL-BJJXKVORSA-N 1 0 381.318 2.772 20 0 GFADRO CNC(=O)CN1CCC([NH2+]CC(C)(C)c2ccc(Br)cc2)CC1 ZINC000892562388 663377258 /nfs/dbraw/zinc/37/72/58/663377258.db2.gz ZPSKKKOPNTXHHH-UHFFFAOYSA-N 1 0 382.346 2.527 20 0 GFADRO [NH3+][C@H]1C[C@H](CNC(=O)N2CCC[C@H](Nc3cccc(Br)c3)C2)C1 ZINC000892571245 663377546 /nfs/dbraw/zinc/37/75/46/663377546.db2.gz XKSLZUNRMKRXBL-NOLJZWGESA-N 1 0 381.318 2.772 20 0 GFADRO CCCNC(=O)c1cccc(C[NH2+]Cc2ncc(Br)cc2O)c1 ZINC000892603937 663378494 /nfs/dbraw/zinc/37/84/94/663378494.db2.gz VKLUFIOWMCLCKI-UHFFFAOYSA-N 1 0 378.270 2.979 20 0 GFADRO C[C@]1(Br)C[C@H]1C[NH2+]CCc1ccc(OCC(=O)NC2CC2)cc1 ZINC000892633930 663379275 /nfs/dbraw/zinc/37/92/75/663379275.db2.gz KSQGUZVLVJLEGY-KSSFIOAISA-N 1 0 381.314 2.650 20 0 GFADRO C[C@H]([NH2+]C[C@@H]1C[C@@]1(C)Br)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000892631122 663379368 /nfs/dbraw/zinc/37/93/68/663379368.db2.gz DHOFGMQIZLFJQR-CORIIIEPSA-N 1 0 375.332 2.761 20 0 GFADRO C[C@@]1(NC(=O)c2cc(=O)c3cc(Br)ccc3o2)C[NH+]2CCC1CC2 ZINC000892766652 663384085 /nfs/dbraw/zinc/38/40/85/663384085.db2.gz MKEIBHZXLGEDTA-GOSISDBHSA-N 1 0 391.265 2.770 20 0 GFADRO Cc1ncc(I)c(N2CC[C@@H](C3CC[NH+](C)CC3)C2)n1 ZINC000892984986 663392059 /nfs/dbraw/zinc/39/20/59/663392059.db2.gz ZZSSEGAVDTXDFY-CYBMUJFWSA-N 1 0 386.281 2.558 20 0 GFADRO C[C@]1(Br)C[C@@H]1C[NH2+]C[C@@H](O)c1cc(Cl)c2c(c1)OCCO2 ZINC000892991643 663392206 /nfs/dbraw/zinc/39/22/06/663392206.db2.gz JRUQTZQKXSZNER-HCKVZZMMSA-N 1 0 376.678 2.908 20 0 GFADRO C[C@@H]1CCC[C@@H](CC[NH+](C)C)N1C(=O)c1nn2c(c1Br)CCC2 ZINC000893006981 663392928 /nfs/dbraw/zinc/39/29/28/663392928.db2.gz HGDVPBACLWQYCM-OLZOCXBDSA-N 1 0 383.334 2.927 20 0 GFADRO OC[C@@H]1CCC[N@@H+]1Cc1ccccc1CNc1ccc(Br)nn1 ZINC000893118575 663397250 /nfs/dbraw/zinc/39/72/50/663397250.db2.gz IGBMTCYHJODCPN-HNNXBMFYSA-N 1 0 377.286 2.808 20 0 GFADRO COc1ccc(OC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1I ZINC000893150016 663399068 /nfs/dbraw/zinc/39/90/68/663399068.db2.gz DSIGLQLSJFTXLG-QWRGUYRKSA-N 1 0 389.233 2.936 20 0 GFADRO O=S(=O)(C[C@@H](O)C[NH2+]C1CC(c2ccc(F)cc2F)C1)c1cccs1 ZINC000893182035 663400589 /nfs/dbraw/zinc/40/05/89/663400589.db2.gz PEPWYQGLHJVAQU-UBHUBRDASA-N 1 0 387.473 2.697 20 0 GFADRO CC(=O)Nc1cc(Br)ccc1C[NH2+][C@H]1CCO[C@@]2(CCOC2)C1 ZINC000893285828 663405312 /nfs/dbraw/zinc/40/53/12/663405312.db2.gz PJQTWJLXITUJAE-RDJZCZTQSA-N 1 0 383.286 2.835 20 0 GFADRO O=S1(=O)CC[C@]2(C1)C[C@@H]([NH2+]CCc1cc(Cl)cc(Cl)c1)CCO2 ZINC000893301986 663406123 /nfs/dbraw/zinc/40/61/23/663406123.db2.gz BTPJJRPELNTQSV-JKSUJKDBSA-N 1 0 378.321 2.862 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1)[C@H]1CCS(=O)(=O)C1 ZINC000893398251 663409617 /nfs/dbraw/zinc/40/96/17/663409617.db2.gz INEFQKKLPFCKOL-RWMBFGLXSA-N 1 0 377.337 2.985 20 0 GFADRO CC(C)[NH2+][C@H]1CCCN(C(=O)c2cc3cc(Br)cnc3n2C)C1 ZINC000893801868 663425595 /nfs/dbraw/zinc/42/55/95/663425595.db2.gz WMLLVEFMMGROHV-AWEZNQCLSA-N 1 0 379.302 2.938 20 0 GFADRO C[C@@H](NC(=O)NCc1ncc(Br)cn1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000894106010 663442760 /nfs/dbraw/zinc/44/27/60/663442760.db2.gz NFAKNPYASQXJFB-CHWSQXEVSA-N 1 0 396.333 2.691 20 0 GFADRO Brc1cnn(CCCC[NH2+]Cc2cn(Cc3ccccc3)nn2)c1 ZINC000894133870 663444571 /nfs/dbraw/zinc/44/45/71/663444571.db2.gz FLRFJMORFGYYKM-UHFFFAOYSA-N 1 0 389.301 2.855 20 0 GFADRO Cn1ncc(I)c1C[NH2+]CC1([C@H](O)c2ccccc2)CC1 ZINC000894353626 663456981 /nfs/dbraw/zinc/45/69/81/663456981.db2.gz DDSGVDKMTZVHBJ-OAHLLOKOSA-N 1 0 397.260 2.628 20 0 GFADRO O=S(=O)(C[C@@H](O)C[NH2+]Cc1cc2c(cccc2O)s1)c1cccs1 ZINC000894353880 663457015 /nfs/dbraw/zinc/45/70/15/663457015.db2.gz FHZRHFQZGSGORN-NSHDSACASA-N 1 0 383.516 2.593 20 0 GFADRO CCc1nnc(NC(=O)[C@H](C)[C@H](C)[NH2+]C[C@H]2C[C@]2(C)Br)s1 ZINC000894440539 663461777 /nfs/dbraw/zinc/46/17/77/663461777.db2.gz ZLZMXOSXNVMKRU-PUXPGTEJSA-N 1 0 375.336 2.827 20 0 GFADRO COc1ccc(C[C@H](CO)C[NH2+]Cc2csc(C(F)(F)F)n2)cc1O ZINC000894473442 663463861 /nfs/dbraw/zinc/46/38/61/663463861.db2.gz TZZAFGIGRUPEMP-NSHDSACASA-N 1 0 376.400 2.817 20 0 GFADRO CN(CC(C)(C)C[NH+](C)C)C(=O)NCCCCn1cc(Br)cn1 ZINC000894517582 663466690 /nfs/dbraw/zinc/46/66/90/663466690.db2.gz LOEHIGLLZSMALS-UHFFFAOYSA-N 1 0 388.354 2.655 20 0 GFADRO Brc1ccc(C[NH2+]CCO[C@H]2CCCCO2)c(N2CCOCC2)c1 ZINC000894796409 663482030 /nfs/dbraw/zinc/48/20/30/663482030.db2.gz IHIBZUDGPSXSOJ-SFHVURJKSA-N 1 0 399.329 2.919 20 0 GFADRO CO[C@@](C)(C[NH2+]Cc1c(I)cnn1C)c1ccccc1 ZINC000894899601 663487330 /nfs/dbraw/zinc/48/73/30/663487330.db2.gz YTBDCAMVIXUGPD-HNNXBMFYSA-N 1 0 385.249 2.676 20 0 GFADRO COC(=O)c1ccc(C[NH2+]CC[S@](=O)CC(F)(F)F)c(C(F)(F)F)c1 ZINC000895231349 663504079 /nfs/dbraw/zinc/50/40/79/663504079.db2.gz RJRUSLOWQGLPLE-VWLOTQADSA-N 1 0 391.333 2.893 20 0 GFADRO Cc1sc(Br)nc1C(=O)N1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000895266611 663505925 /nfs/dbraw/zinc/50/59/25/663505925.db2.gz BDSXLKGJANJVPY-JTQLQIEISA-N 1 0 381.299 2.960 20 0 GFADRO COc1cc(C(=O)N2CCN(c3cc[nH+]cc3)C[C@H]2C)cnc1Br ZINC000895267390 663506178 /nfs/dbraw/zinc/50/61/78/663506178.db2.gz GUFSSVXJZMOVSN-GFCCVEGCSA-N 1 0 391.269 2.599 20 0 GFADRO CN1CC[C@H]([NH2+][C@@H]2C(=O)NCC2(C)C)C[C@@H]1c1ccc(Br)cc1 ZINC000895323092 663508110 /nfs/dbraw/zinc/50/81/10/663508110.db2.gz YIIGRGCWAUYTDG-ARFHVFGLSA-N 1 0 380.330 2.699 20 0 GFADRO CN(CCCC[NH+]1CCCCC1)Cc1cn(C)nc1I ZINC000895683636 663522934 /nfs/dbraw/zinc/52/29/34/663522934.db2.gz QAOAFFSYFJNSDU-UHFFFAOYSA-N 1 0 390.313 2.723 20 0 GFADRO Cc1ccccc1C[NH+]1CCC(NC(=O)c2cn(C)nc2Br)CC1 ZINC000895761721 663526834 /nfs/dbraw/zinc/52/68/34/663526834.db2.gz YFCYFTPURFKKIP-UHFFFAOYSA-N 1 0 391.313 2.885 20 0 GFADRO O=C1NCC2(CCOCC2)[C@@H]1[NH2+]Cc1cnc(-c2ccc(Cl)cc2)s1 ZINC000895768946 663526958 /nfs/dbraw/zinc/52/69/58/663526958.db2.gz LOJSUNVPRNPAMY-OAHLLOKOSA-N 1 0 377.897 2.848 20 0 GFADRO CO[C@H](C[NH2+]Cc1ccn(-c2ccc(Br)cc2)n1)[C@@H]1CCOC1 ZINC000895805042 663528372 /nfs/dbraw/zinc/52/83/72/663528372.db2.gz QGSJEHBFXVQODH-CXAGYDPISA-N 1 0 380.286 2.776 20 0 GFADRO Cn1cc(C[NH2+]C[C@]2(C)CCOC3(CCC3)C2)c(I)n1 ZINC000895819580 663528582 /nfs/dbraw/zinc/52/85/82/663528582.db2.gz BJISGVNNWYBDFB-CQSZACIVSA-N 1 0 389.281 2.854 20 0 GFADRO O=C(N1CCO[C@@H](c2ccc(Br)cc2)C1)[C@@]12CC[N@H+](C1)CCC2 ZINC000895874931 663531304 /nfs/dbraw/zinc/53/13/04/663531304.db2.gz KGEGKMDNHKGHIC-AEFFLSMTSA-N 1 0 379.298 2.835 20 0 GFADRO O=C(Nc1ncn(Cc2cccc(Br)c2)n1)[C@@]12CC[N@H+](C1)CCC2 ZINC000895997299 663536553 /nfs/dbraw/zinc/53/65/53/663536553.db2.gz JWHJJLKMTSKBHW-KRWDZBQOSA-N 1 0 390.285 2.513 20 0 GFADRO O=C(NCc1ccsc1C(F)(F)F)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000896077162 663539871 /nfs/dbraw/zinc/53/98/71/663539871.db2.gz XKGVCNWRIYANNO-QWHCGFSZSA-N 1 0 377.432 2.508 20 0 GFADRO COCCc1ccc(OC[C@H](C)[NH2+]Cc2cn(C)nc2Br)cc1 ZINC000896282027 663548805 /nfs/dbraw/zinc/54/88/05/663548805.db2.gz MYAGBVXXNZTTOJ-ZDUSSCGKSA-N 1 0 382.302 2.929 20 0 GFADRO C[C@H](CCCOc1ccccc1C(N)=O)[NH2+]Cc1cn(C)nc1Br ZINC000896282041 663548847 /nfs/dbraw/zinc/54/88/47/663548847.db2.gz NFJZRWXMEBRWSY-GFCCVEGCSA-N 1 0 395.301 2.619 20 0 GFADRO O=C(NCc1ccc(C(F)(F)F)s1)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000896294752 663549618 /nfs/dbraw/zinc/54/96/18/663549618.db2.gz VBCMUDRUMCWIMQ-CHWSQXEVSA-N 1 0 377.432 2.508 20 0 GFADRO COc1cc(Br)cc(CNC(=O)N2CCC23CC[NH+](C)CC3)c1 ZINC000896648849 663569432 /nfs/dbraw/zinc/56/94/32/663569432.db2.gz CRMOEQFGZHAXFQ-UHFFFAOYSA-N 1 0 382.302 2.837 20 0 GFADRO CC[NH+](CC)C[C@@H]1CCN(C(=O)NCC2(n3cc(Br)cn3)CC2)C1 ZINC000896696252 663572082 /nfs/dbraw/zinc/57/20/82/663572082.db2.gz BEPYVSPASIIFCJ-AWEZNQCLSA-N 1 0 398.349 2.508 20 0 GFADRO O[C@]1(c2ccc(Br)cc2)CCC[N@H+](Cc2cnc3n2CCOC3)C1 ZINC000897033570 663587701 /nfs/dbraw/zinc/58/77/01/663587701.db2.gz CMCMMNYAQILWKS-GOSISDBHSA-N 1 0 392.297 2.659 20 0 GFADRO COC1CCC(C[N@@H+]2CCn3ncc(I)c3C2)CC1 ZINC000897289269 663598591 /nfs/dbraw/zinc/59/85/91/663598591.db2.gz OKQVUTQEICBUTP-UHFFFAOYSA-N 1 0 375.254 2.509 20 0 GFADRO CN(C[C@@H](O)c1cccc(Br)c1)C(=O)NC[C@@H]1CCCC[N@H+](C)C1 ZINC000897557915 663610249 /nfs/dbraw/zinc/61/02/49/663610249.db2.gz SRVGQUBWBDSOPG-WMLDXEAASA-N 1 0 398.345 2.856 20 0 GFADRO CN(C[C@H](O)c1ccccc1Br)C(=O)NC[C@@H]1CCCC[N@H+](C)C1 ZINC000897557541 663610284 /nfs/dbraw/zinc/61/02/84/663610284.db2.gz NZSYUGFWOPMLJD-YOEHRIQHSA-N 1 0 398.345 2.856 20 0 GFADRO C[N@@H+]1CC[C@H](C(=O)NCc2cnc(Br)cn2)[C@@H]1c1ccccc1 ZINC000897673843 663615256 /nfs/dbraw/zinc/61/52/56/663615256.db2.gz LFRDQNHEAKDDGO-HOCLYGCPSA-N 1 0 375.270 2.548 20 0 GFADRO CSc1ccc([C@@H](CNC(=O)c2cn(C)nc2Br)[NH+](C)C)cc1 ZINC000897861080 663622892 /nfs/dbraw/zinc/62/28/92/663622892.db2.gz CFCRLXGIMBJMGX-CQSZACIVSA-N 1 0 397.342 2.937 20 0 GFADRO CO[C@@H]1CCOC[C@H]1[NH2+][C@H]1CCN(C)[C@@H](c2ccc(Br)cc2)C1 ZINC000897888492 663624033 /nfs/dbraw/zinc/62/40/33/663624033.db2.gz CJXHRHKYBMEJKC-BSDSXHPESA-N 1 0 383.330 2.978 20 0 GFADRO C[C@H](NC(=O)C(=O)NCc1cscc1Cl)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000897924462 663626125 /nfs/dbraw/zinc/62/61/25/663626125.db2.gz QPHTTZOVBRAGQF-STQMWFEESA-N 1 0 383.945 2.787 20 0 GFADRO CC1(C)CCC[C@H](C[NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)O1 ZINC000898047366 663631342 /nfs/dbraw/zinc/63/13/42/663631342.db2.gz YIKPIPHYAKUVGE-GFCCVEGCSA-N 1 0 391.331 2.534 20 0 GFADRO Cn1cc([C@]2(C[NH2+]Cc3cc4c(cc3Br)OCO4)CCCO2)cn1 ZINC000898061110 663631859 /nfs/dbraw/zinc/63/18/59/663631859.db2.gz MDWVNBGGAXCDLG-QGZVFWFLSA-N 1 0 394.269 2.707 20 0 GFADRO O=C(c1cc(Br)ccc1F)N1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000898123174 663634844 /nfs/dbraw/zinc/63/48/44/663634844.db2.gz SMXXTSKKOAPHIL-UHFFFAOYSA-N 1 0 385.277 2.555 20 0 GFADRO O=C(COc1c(Cl)cccc1Cl)N1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000898124339 663634888 /nfs/dbraw/zinc/63/48/88/663634888.db2.gz LAPVYJLRYUVCCS-UHFFFAOYSA-N 1 0 387.307 2.725 20 0 GFADRO CC(C)(NC(=O)C1C[NH+](C2CCOCC2)C1)c1ccccc1Br ZINC000898139734 663635189 /nfs/dbraw/zinc/63/51/89/663635189.db2.gz CXLADZPSCHDBNH-UHFFFAOYSA-N 1 0 381.314 2.911 20 0 GFADRO CCn1c(C[NH2+]CC[C@H](O)C2CC2)nc(Br)c1Br ZINC000898200339 663638093 /nfs/dbraw/zinc/63/80/93/663638093.db2.gz WHZFNIBXEKTRIV-VIFPVBQESA-N 1 0 381.112 2.679 20 0 GFADRO CN(c1cccc(C[NH2+]Cc2cnc(CC(F)(F)F)s2)c1)S(C)(=O)=O ZINC000898281160 663641870 /nfs/dbraw/zinc/64/18/70/663641870.db2.gz KKEWLTSGOKUCHF-UHFFFAOYSA-N 1 0 393.456 2.934 20 0 GFADRO CN(C)[S@@](C)(=O)=NCC1CC[NH+](Cc2cc(-n3ccnc3)cs2)CC1 ZINC000898398133 663648164 /nfs/dbraw/zinc/64/81/64/663648164.db2.gz GKDABMHARNDXBP-VWLOTQADSA-N 1 0 381.571 2.720 20 0 GFADRO COC(=O)C1CC2(C1)C[C@H]([NH2+][C@H](C)CCc1ccsc1)CCS2(=O)=O ZINC000898487246 663652266 /nfs/dbraw/zinc/65/22/66/663652266.db2.gz JRMLIMWWTUHXLD-ZFRYHDOHSA-N 1 0 385.551 2.558 20 0 GFADRO CC[C@@H]1C[C@@H]([NH2+][C@H](CO)c2ccccc2I)CCO1 ZINC000898511214 663653310 /nfs/dbraw/zinc/65/33/10/663653310.db2.gz AUNNJWUAXNVGFX-YWPYICTPSA-N 1 0 375.250 2.872 20 0 GFADRO COCCOc1ccccc1C[NH2+][C@@H]1CCc2ncc(Br)n2C1 ZINC000898723481 663660847 /nfs/dbraw/zinc/66/08/47/663660847.db2.gz FJKOFWFBCMQVMK-CQSZACIVSA-N 1 0 380.286 2.775 20 0 GFADRO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CCc3ncc(Br)n3C2)C[C@@H]1C ZINC000898723891 663660995 /nfs/dbraw/zinc/66/09/95/663660995.db2.gz JFSOTMIIRRUISX-IGQOVBAYSA-N 1 0 384.318 2.918 20 0 GFADRO C[C@@H](CC(=O)Nc1ccccc1)[NH2+][C@H]1CCc2ncc(Br)n2C1 ZINC000898723700 663661024 /nfs/dbraw/zinc/66/10/24/663661024.db2.gz HPEXNOFBRSTALD-JSGCOSHPSA-N 1 0 377.286 2.967 20 0 GFADRO C[C@H](CC(=O)N1CCCCCC1)[NH2+][C@@H]1CCc2ncc(Br)n2C1 ZINC000898724552 663661276 /nfs/dbraw/zinc/66/12/76/663661276.db2.gz NKHUHOOYDWZEIX-ZIAGYGMSSA-N 1 0 383.334 2.731 20 0 GFADRO Cc1nn(CC(=O)Nc2ccc(NC3=[NH+]CCN3)c(Cl)c2)c(C)c1Cl ZINC000899051563 663673423 /nfs/dbraw/zinc/67/34/23/663673423.db2.gz XTGZBJCECGJZOK-UHFFFAOYSA-N 1 0 381.267 2.817 20 0 GFADRO COc1ccc([C@@H]([NH2+]C(C)C)C(=O)NCc2c(Br)cnn2C)cc1 ZINC000899157991 663678079 /nfs/dbraw/zinc/67/80/79/663678079.db2.gz PBDYWQKKNMAQCS-MRXNPFEDSA-N 1 0 395.301 2.547 20 0 GFADRO C[C@@H](c1ccc(F)c(Br)c1)n1cc(CNC2CC[NH+](C)CC2)nn1 ZINC000899719149 663699296 /nfs/dbraw/zinc/69/92/96/663699296.db2.gz SBHOPVONJHLPFR-LBPRGKRZSA-N 1 0 396.308 2.973 20 0 GFADRO CC(C)[NH+]1CCN(CCC(=O)NCc2nc3cc(Cl)ccc3s2)CC1 ZINC000900378041 663713552 /nfs/dbraw/zinc/71/35/52/663713552.db2.gz DDIBPIMKXZLDST-UHFFFAOYSA-N 1 0 380.945 2.982 20 0 GFADRO C[NH+](C)CCn1nccc1C(=O)Nc1nnc(-c2cccc(Cl)c2)s1 ZINC000900537308 663716573 /nfs/dbraw/zinc/71/65/73/663716573.db2.gz CUZTYWVERJJABZ-UHFFFAOYSA-N 1 0 376.873 2.869 20 0 GFADRO CCn1c(Br)ncc1C(=O)N1C[C@H](C[NH+](C)C)Oc2ccccc21 ZINC000901059343 663729584 /nfs/dbraw/zinc/72/95/84/663729584.db2.gz BSCSOEUSHZPQMR-LBPRGKRZSA-N 1 0 393.285 2.635 20 0 GFADRO CC[NH+](CC)CCN(C(=O)c1cscc1C(F)F)[C@H]1CCS(=O)(=O)C1 ZINC000901214068 663732539 /nfs/dbraw/zinc/73/25/39/663732539.db2.gz ZHMZILTWODLLGE-LBPRGKRZSA-N 1 0 394.509 2.657 20 0 GFADRO CC(C)[NH+]1CCN(CCCC(=O)Nc2cc(Br)ccc2O)CC1 ZINC000901223418 663732568 /nfs/dbraw/zinc/73/25/68/663732568.db2.gz IMLPJXBTACNWCG-UHFFFAOYSA-N 1 0 384.318 2.899 20 0 GFADRO Cc1nc(NC(=O)[C@H](C)[NH2+][C@H]2CCc3ncc(Br)n3C2)sc1C ZINC000901728885 663743827 /nfs/dbraw/zinc/74/38/27/663743827.db2.gz OMZOCGAUTUQFCH-ONGXEEELSA-N 1 0 398.330 2.651 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCc2ncc(Br)n2C1)C(=O)Nc1ccc(F)cc1F ZINC000901730913 663744129 /nfs/dbraw/zinc/74/41/29/663744129.db2.gz YOPCCQKYSNDOIA-GXSJLCMTSA-N 1 0 399.239 2.855 20 0 GFADRO O=C1Nc2ncc(Br)cc2C[C@H]1[NH2+][C@@H]1CCc2cccnc2CC1 ZINC000902693997 663766259 /nfs/dbraw/zinc/76/62/59/663766259.db2.gz WAPDVXPFFXNYKQ-GDBMZVCRSA-N 1 0 387.281 2.640 20 0 GFADRO O=C(NCC[NH2+][C@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21)c1cccc(Br)c1 ZINC000902867011 663768907 /nfs/dbraw/zinc/76/89/07/663768907.db2.gz UXBGTLBLRFSOHG-SMLCLMEVSA-N 1 0 379.298 2.582 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CC[NH2+][C@H]1CCO[C@@]12CCOC2 ZINC000903119469 663774516 /nfs/dbraw/zinc/77/45/16/663774516.db2.gz KVSRTQTWIZAVGV-DOTOQJQBSA-N 1 0 383.286 2.624 20 0 GFADRO CN(C)S(=O)(=O)Cc1ccc(C[NH2+][C@H]2CCc3ccc(Cl)nc32)cc1 ZINC000903173026 663777058 /nfs/dbraw/zinc/77/70/58/663777058.db2.gz JISYILVLFABURK-INIZCTEOSA-N 1 0 379.913 2.904 20 0 GFADRO CN1C[C@H](CC[NH2+][C@@H]2CCc3ccc(I)cc32)CC1=O ZINC000903211192 663778604 /nfs/dbraw/zinc/77/86/04/663778604.db2.gz RQAHEAIBGBZXAR-IAQYHMDHSA-N 1 0 384.261 2.737 20 0 GFADRO CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+]C[C@]2(OC)CCSC2)cc1 ZINC000903309456 663781250 /nfs/dbraw/zinc/78/12/50/663781250.db2.gz DUSNDRHOAZEWKA-CRAIPNDOSA-N 1 0 386.583 2.890 20 0 GFADRO C[C@@H]([NH2+][C@H]1Cc2cc(Br)cnc2NC1=O)c1ccc2c(c1)OCO2 ZINC000903326450 663782153 /nfs/dbraw/zinc/78/21/53/663782153.db2.gz QCZSWTGCSALRDJ-RNCFNFMXSA-N 1 0 390.237 2.787 20 0 GFADRO C[C@H]([NH2+]C1CN(c2ccc(C(F)(F)F)cc2)C1)C1CCS(=O)(=O)CC1 ZINC000903345174 663782442 /nfs/dbraw/zinc/78/24/42/663782442.db2.gz DMSPPROXXRSMIC-LBPRGKRZSA-N 1 0 376.444 2.697 20 0 GFADRO CO[C@]1(C[NH2+][C@H]2C[C@@H](C)c3c2cccc3Br)CCS(=O)(=O)C1 ZINC000903367003 663782993 /nfs/dbraw/zinc/78/29/93/663782993.db2.gz GFTNRPQAMQVNNH-WPGHFRTFSA-N 1 0 388.327 2.791 20 0 GFADRO C[C@H]([NH2+]Cc1cnc2n1CCOC2)c1ccc(I)cc1 ZINC000903418700 663784146 /nfs/dbraw/zinc/78/41/46/663784146.db2.gz NUGCNAPAUQXOSP-NSHDSACASA-N 1 0 383.233 2.869 20 0 GFADRO Cc1cc(Br)cc2c1[C@H]([NH2+]CCCn1ccc(=O)[nH]c1=O)CC2 ZINC000903428274 663784415 /nfs/dbraw/zinc/78/44/15/663784415.db2.gz FQFHKABAWKLMIE-CQSZACIVSA-N 1 0 378.270 2.687 20 0 GFADRO COC(=O)c1csc([C@@H](C)[NH2+][C@@H]2CCN(c3cn[nH]c(=O)c3Cl)C2)c1 ZINC000903434549 663784710 /nfs/dbraw/zinc/78/47/10/663784710.db2.gz MQOCMRZMFVNXAX-MWLCHTKSSA-N 1 0 382.873 2.613 20 0 GFADRO CCc1ccc([C@@H](C)[NH2+][C@H]2CCS(=O)(=O)C3(CC(C(=O)OC)C3)C2)s1 ZINC000903452049 663785034 /nfs/dbraw/zinc/78/50/34/663785034.db2.gz JMSICMCCDWVRBJ-VUULHSHRSA-N 1 0 385.551 2.860 20 0 GFADRO C[NH2+]CC1CCN(S(=O)(=O)c2c[nH]c3cc(Br)ccc32)CC1 ZINC000903487106 663785613 /nfs/dbraw/zinc/78/56/13/663785613.db2.gz ZYALAKYDHFWLCB-UHFFFAOYSA-N 1 0 386.315 2.551 20 0 GFADRO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(S(=O)(=O)c2cc3ccccc3s2)CC1 ZINC000903503831 663785864 /nfs/dbraw/zinc/78/58/64/663785864.db2.gz LNTSFODRMJWMMX-CRAIPNDOSA-N 1 0 380.535 2.808 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2S(=O)(=O)c2cc3ccccc3s2)C1 ZINC000903507687 663785977 /nfs/dbraw/zinc/78/59/77/663785977.db2.gz IMDDFCLDUSEZFS-OAGGEKHMSA-N 1 0 380.535 2.951 20 0 GFADRO C[C@@H]1C[C@@H](NS(=O)(=O)Cc2cccc(Cl)c2Br)CC[NH2+]1 ZINC000903519372 663786830 /nfs/dbraw/zinc/78/68/30/663786830.db2.gz ZTTNWSMCMIWOTJ-KOLCDFICSA-N 1 0 381.723 2.662 20 0 GFADRO CC1(C)C[NH2+]CC[C@@H]1NS(=O)(=O)Cc1cccc(Cl)c1Br ZINC000903522000 663787104 /nfs/dbraw/zinc/78/71/04/663787104.db2.gz LGCKJEUUQBCRBF-LBPRGKRZSA-N 1 0 395.750 2.910 20 0 GFADRO C[C@@H](NS(=O)(=O)Cc1cccc(Cl)c1Br)C1CC[NH2+]CC1 ZINC000903525346 663787376 /nfs/dbraw/zinc/78/73/76/663787376.db2.gz FQNNKLLFNRWHGB-SNVBAGLBSA-N 1 0 395.750 2.910 20 0 GFADRO [NH3+]CC1([C@H]2CCCCN2S(=O)(=O)c2ncccc2Br)CCC1 ZINC000903547877 663788251 /nfs/dbraw/zinc/78/82/51/663788251.db2.gz WUBAMLNJGFEGHH-CYBMUJFWSA-N 1 0 388.331 2.516 20 0 GFADRO [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(S(=O)(=O)c1c(Cl)cccc1Br)C2 ZINC000903578529 663789938 /nfs/dbraw/zinc/78/99/38/663789938.db2.gz CAABOQINKZONKX-GUBZILKMSA-N 1 0 379.707 2.603 20 0 GFADRO [NH3+][C@@H]1CN(S(=O)(=O)Cc2cccc(C(F)(F)F)c2)CC[C@H]1C(F)(F)F ZINC000903580874 663790475 /nfs/dbraw/zinc/79/04/75/663790475.db2.gz YULXLWUAEYDTNE-VXGBXAGGSA-N 1 0 390.349 2.747 20 0 GFADRO [NH3+]C[C@@]12CC[C@@H]1CCN2S(=O)(=O)c1ccc(Cl)cc1Br ZINC000903590584 663790848 /nfs/dbraw/zinc/79/08/48/663790848.db2.gz WZRIWDQQVCNCQU-RNCFNFMXSA-N 1 0 379.707 2.604 20 0 GFADRO O[C@@H]1CCN(C[C@@H]2CC3(CO2)CC[NH2+]CC3)[C@@H]1c1ccc(Br)cc1 ZINC000903776930 663806776 /nfs/dbraw/zinc/80/67/76/663806776.db2.gz YPTHJRMGYQJYRH-RCCFBDPRSA-N 1 0 395.341 2.716 20 0 GFADRO FC(F)(F)c1nc(Br)c2n1CCN(CC[C@H]1CCC[NH2+]C1)C2 ZINC000903831383 663807747 /nfs/dbraw/zinc/80/77/47/663807747.db2.gz ITDVMWWIRGHDIL-SNVBAGLBSA-N 1 0 381.240 2.870 20 0 GFADRO COCC[C@@H]1C[NH2+]CCN1Cc1ncc(-c2ccccc2Br)o1 ZINC000903836167 663807914 /nfs/dbraw/zinc/80/79/14/663807914.db2.gz FKQGPJKIIIGGNF-CYBMUJFWSA-N 1 0 380.286 2.914 20 0 GFADRO COCC[C@@H]1C[NH2+]CCN1CC(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000903831677 663807945 /nfs/dbraw/zinc/80/79/45/663807945.db2.gz WBYBFBCBMVZRAX-GFCCVEGCSA-N 1 0 379.810 2.608 20 0 GFADRO Fc1ccc(Br)c2c1CN(Cc1cnnn1[C@H]1CCC[NH2+]C1)CC2 ZINC000903905761 663810885 /nfs/dbraw/zinc/81/08/85/663810885.db2.gz NHNPAOATQNSDPW-LBPRGKRZSA-N 1 0 394.292 2.663 20 0 GFADRO C[C@@H]1Cc2ccc(Br)cc2CN1Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903914866 663811225 /nfs/dbraw/zinc/81/12/25/663811225.db2.gz LPHYOTYAJOTFGO-CXAGYDPISA-N 1 0 390.329 2.912 20 0 GFADRO CCN(Cc1cnnn1[C@H]1CCC[NH2+]C1)Cc1ccccc1Br ZINC000903916573 663811434 /nfs/dbraw/zinc/81/14/34/663811434.db2.gz HYQBNZXAESFHKN-HNNXBMFYSA-N 1 0 378.318 2.987 20 0 GFADRO Cc1c(C[C@H](C[NH3+])CN2CCOc3cc(Br)ccc3C2)cnn1C ZINC000903933802 663812531 /nfs/dbraw/zinc/81/25/31/663812531.db2.gz VQTVBZJXKFSEQR-CQSZACIVSA-N 1 0 393.329 2.503 20 0 GFADRO COc1ccc(Cc2noc(C[C@@H]3CC[N@H+](C)C3)n2)c(Br)c1OC ZINC000903995017 663816234 /nfs/dbraw/zinc/81/62/34/663816234.db2.gz ONBDVEXYJPBFCP-NSHDSACASA-N 1 0 396.285 2.934 20 0 GFADRO C[NH2+][C@H](C)Cc1noc(-c2cc(Br)nn2-c2ncccc2Cl)n1 ZINC000904076569 663822924 /nfs/dbraw/zinc/82/29/24/663822924.db2.gz FGESECAXYCYAHM-MRVPVSSYSA-N 1 0 397.664 2.884 20 0 GFADRO [NH3+]CCCn1ccc(-c2nc(Cc3ccc(F)c(Br)c3)no2)n1 ZINC000904103320 663824518 /nfs/dbraw/zinc/82/45/18/663824518.db2.gz WKWZQYZWYDRDKC-UHFFFAOYSA-N 1 0 380.221 2.774 20 0 GFADRO [NH3+]C[C@@]12CC[C@H]1CCN2C(=O)Nc1ccc(F)cc1I ZINC000904365008 663831352 /nfs/dbraw/zinc/83/13/52/663831352.db2.gz VGNVYAVYIUQSIG-XPTSAGLGSA-N 1 0 389.212 2.775 20 0 GFADRO CN(C(=O)Nc1c(F)cc(Br)cc1F)C1(C[NH3+])CCOCC1 ZINC000904354537 663831357 /nfs/dbraw/zinc/83/13/57/663831357.db2.gz BTMFNPVVQNZIPE-UHFFFAOYSA-N 1 0 378.217 2.699 20 0 GFADRO COCC[C@H]1C[NH2+]CCN1C(=O)Nc1cc(Br)c(C)cc1OC ZINC000904420305 663833422 /nfs/dbraw/zinc/83/34/22/663833422.db2.gz JZLCLNDDRUONFZ-LBPRGKRZSA-N 1 0 386.290 2.608 20 0 GFADRO COc1cc(OC)c(NC(=O)N2CCC[C@@]23CC[NH2+]C3)cc1Br ZINC000904429064 663833944 /nfs/dbraw/zinc/83/39/44/663833944.db2.gz WBEYTEHEGYZXCJ-INIZCTEOSA-N 1 0 384.274 2.826 20 0 GFADRO COC(=O)c1c(Br)ccc(NC(=O)N2CCC[C@@]23CC[NH2+]C3)c1C ZINC000904443118 663834518 /nfs/dbraw/zinc/83/45/18/663834518.db2.gz HOFPGXMHZYDKBF-KRWDZBQOSA-N 1 0 396.285 2.904 20 0 GFADRO C[C@@H]1C[C@H](CN2CCn3c(c(Br)nc3C(F)(F)F)C2)CC[NH2+]1 ZINC000904469019 663835284 /nfs/dbraw/zinc/83/52/84/663835284.db2.gz HZZCNUDPYJVFHK-NXEZZACHSA-N 1 0 381.240 2.868 20 0 GFADRO COC(=O)c1cc(NC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)c(C)cc1Br ZINC000904484905 663835995 /nfs/dbraw/zinc/83/59/95/663835995.db2.gz QFHYBBTTXALMKN-LJWDBELGSA-N 1 0 382.258 2.559 20 0 GFADRO C[NH2+][C@H]1CCCN(C(=O)Nc2ccc(OCCOC)c(Br)c2)C1 ZINC000904550179 663837456 /nfs/dbraw/zinc/83/74/56/663837456.db2.gz CBWCUMRBTZKTJD-ZDUSSCGKSA-N 1 0 386.290 2.690 20 0 GFADRO COCCOc1ccc(NC(=O)N[C@@H]2CC[NH2+][C@H](C)C2)cc1Br ZINC000904550536 663837775 /nfs/dbraw/zinc/83/77/75/663837775.db2.gz GONXRDBGCDPZCI-DGCLKSJQSA-N 1 0 386.290 2.736 20 0 GFADRO COCCOc1ccc(NC(=O)N(C)[C@H](C[NH3+])C2CC2)cc1Br ZINC000904551517 663837918 /nfs/dbraw/zinc/83/79/18/663837918.db2.gz MTMAQKUOUSDRIY-CQSZACIVSA-N 1 0 386.290 2.675 20 0 GFADRO COCCOc1ccc(NC(=O)NC[C@H]2CCCC[NH2+]2)cc1Br ZINC000904551037 663837940 /nfs/dbraw/zinc/83/79/40/663837940.db2.gz KLSDTKOUFBNSLK-CYBMUJFWSA-N 1 0 386.290 2.738 20 0 GFADRO [NH3+]Cc1nc(Cc2nc(Cc3cc(Cl)c4c(c3)OCCO4)no2)cs1 ZINC000904658185 663839578 /nfs/dbraw/zinc/83/95/78/663839578.db2.gz FDANAGZTDDRHMY-UHFFFAOYSA-N 1 0 378.841 2.591 20 0 GFADRO Cc1cc(Br)ccc1Cc1noc([C@]23C[NH2+]C[C@H]2CCOC3)n1 ZINC000904671905 663840116 /nfs/dbraw/zinc/84/01/16/663840116.db2.gz BMAKAWGLFRBLHO-DYVFJYSZSA-N 1 0 378.270 2.609 20 0 GFADRO [NH3+][C@@H]1CCC[C@H](c2nc(CC(=O)Nc3ccccc3Br)no2)C1 ZINC000904688381 663841000 /nfs/dbraw/zinc/84/10/00/663841000.db2.gz ADLBGFDYKOZUOU-WDEREUQCSA-N 1 0 379.258 2.998 20 0 GFADRO C[C@H]([NH3+])C1(c2nc(-c3cn4ccc(Br)cc4n3)no2)CCOCC1 ZINC000904720861 663842180 /nfs/dbraw/zinc/84/21/80/663842180.db2.gz HBRYYPBQAJHXEC-JTQLQIEISA-N 1 0 392.257 2.542 20 0 GFADRO CNS(=O)(=O)c1ccc(C[NH2+]C[C@@H](O)c2ccc(Cl)c(Cl)c2)s1 ZINC000905027874 663849988 /nfs/dbraw/zinc/84/99/88/663849988.db2.gz WUQBOIBDHFKETH-CYBMUJFWSA-N 1 0 395.333 2.786 20 0 GFADRO CC(C)(C)OC(=O)N1CCC([NH2+]C[C@@](C)(O)C(F)(F)C(F)(F)F)CC1 ZINC000905047782 663850508 /nfs/dbraw/zinc/85/05/08/663850508.db2.gz AUGWWIRTQZASLU-CYBMUJFWSA-N 1 0 376.366 2.924 20 0 GFADRO Cc1sc(C[NH2+]C[C@H](O)C[C@@]2(O)CCOC2)nc1-c1ccc(Cl)cc1 ZINC000905067634 663851298 /nfs/dbraw/zinc/85/12/98/663851298.db2.gz GPYAZXXMMOFIOB-QAPCUYQASA-N 1 0 382.913 2.764 20 0 GFADRO OCC1(C[C@H](O)C[NH2+][C@H]2CCN(c3ccccc3Br)C2)CCCC1 ZINC000905105413 663853622 /nfs/dbraw/zinc/85/36/22/663853622.db2.gz VXQREBLLZXODJH-HOTGVXAUSA-N 1 0 397.357 2.921 20 0 GFADRO OCC1(C[C@H](O)C[NH2+][C@@H]2CCN(c3cccc(Br)c3)C2)CCCC1 ZINC000905237350 663861687 /nfs/dbraw/zinc/86/16/87/663861687.db2.gz JJAZQLOJDCXHHG-AEFFLSMTSA-N 1 0 397.357 2.921 20 0 GFADRO CC(C)(c1nc(CC2CC[NH2+]CC2)no1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000905309413 663865254 /nfs/dbraw/zinc/86/52/54/663865254.db2.gz LBUQARARXAEMRS-UHFFFAOYSA-N 1 0 383.901 2.974 20 0 GFADRO O=S(=O)(CC1CC[NH2+]CC1)NCC1(c2cccc(C(F)(F)F)c2)CC1 ZINC000905338922 663866194 /nfs/dbraw/zinc/86/61/94/663866194.db2.gz COOIHPDHEHYESO-UHFFFAOYSA-N 1 0 376.444 2.656 20 0 GFADRO COc1ncc(Br)cc1C[NH2+]C[C@H](O)CC[C@H](O)c1ccccc1 ZINC000905386532 663868818 /nfs/dbraw/zinc/86/88/18/663868818.db2.gz UHRSCPCAZCNOCW-SJORKVTESA-N 1 0 395.297 2.817 20 0 GFADRO CN(OCC(F)(F)F)C(=O)C[NH2+]C[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC000905387460 663868835 /nfs/dbraw/zinc/86/88/35/663868835.db2.gz UZHQRTKBHFXJFE-NSHDSACASA-N 1 0 375.174 2.569 20 0 GFADRO C[C@@](O)(C[C@@H](O)C[NH2+]Cc1ccn(-c2ccc(Br)cc2)n1)C1CC1 ZINC000905478823 663873149 /nfs/dbraw/zinc/87/31/49/663873149.db2.gz NVRGZIPCYNOUFP-QZTJIDSGSA-N 1 0 394.313 2.636 20 0 GFADRO CCc1onc(C)c1C[NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000905631712 663882563 /nfs/dbraw/zinc/88/25/63/663882563.db2.gz QBWULSRWCYLDLV-CYBMUJFWSA-N 1 0 387.249 2.977 20 0 GFADRO S=C(Nc1ccc2c(c1)OCCCO2)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000905633030 663882868 /nfs/dbraw/zinc/88/28/68/663882868.db2.gz JEIDRNXUFZDZFX-GJZGRUSLSA-N 1 0 379.551 2.714 20 0 GFADRO O[C@H](C[NH2+][C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)COc1ccc(Cl)cc1Br ZINC000905659329 663884178 /nfs/dbraw/zinc/88/41/78/663884178.db2.gz PUPMWIATHQXHQT-AYBDGHQVSA-N 1 0 388.689 2.608 20 0 GFADRO NC(=O)[C@H](Cc1ccccc1)[NH2+][C@@H]1CCOc2ccc(Br)cc21 ZINC000905852372 663896875 /nfs/dbraw/zinc/89/68/75/663896875.db2.gz JAXYEJUECMSTSP-CVEARBPZSA-N 1 0 375.266 2.959 20 0 GFADRO OCC1(C[C@@H](O)C[NH2+]C[C@@H](O)COc2cccc(Cl)c2Cl)CCCC1 ZINC000905918337 663900851 /nfs/dbraw/zinc/90/08/51/663900851.db2.gz GSSVATSNQIYIKB-ZIAGYGMSSA-N 1 0 392.323 2.626 20 0 GFADRO CC(C)C[C@H](C[NH+](C)C)NC(=O)c1cc(Cl)c(Cl)c(NC(=O)CO)c1 ZINC000906100830 663924931 /nfs/dbraw/zinc/92/49/31/663924931.db2.gz HFJBGSBYCIWFLJ-GFCCVEGCSA-N 1 0 390.311 2.630 20 0 GFADRO C[C@@H](CNC(=O)c1cc(Br)cn(C2CC2)c1=O)[N@@H+]1CCC[C@@H](C)C1 ZINC000906166818 663930032 /nfs/dbraw/zinc/93/00/32/663930032.db2.gz AOUFNTUGORDXFV-OLZOCXBDSA-N 1 0 396.329 2.796 20 0 GFADRO O=C(c1cc(Br)cn(C2CC2)c1=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000906612087 663960740 /nfs/dbraw/zinc/96/07/40/663960740.db2.gz WBFHLQJLIYLICC-HNNXBMFYSA-N 1 0 394.313 2.646 20 0 GFADRO Cc1cc(OCC(=O)N2CCC(OCC[NH+](C)C)CC2)ccc1Br ZINC000906666207 663963996 /nfs/dbraw/zinc/96/39/96/663963996.db2.gz ITXVOLAQBUIVMG-UHFFFAOYSA-N 1 0 399.329 2.706 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2nscc2I)C[C@@H]1C ZINC000906776587 663970233 /nfs/dbraw/zinc/97/02/33/663970233.db2.gz CVEFRTBCZMNIHX-UWVGGRQHSA-N 1 0 393.294 2.693 20 0 GFADRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(F)(F)c1ncccc1Br ZINC000906792846 663971549 /nfs/dbraw/zinc/97/15/49/663971549.db2.gz OMUIJQOJWUQLDM-PWSUYJOCSA-N 1 0 376.245 2.735 20 0 GFADRO CC[NH+]1CCC(CCNC(=O)c2cc(Br)cn(C3CC3)c2=O)CC1 ZINC000906806713 663972726 /nfs/dbraw/zinc/97/27/26/663972726.db2.gz OTPBXDDDPBFPPR-UHFFFAOYSA-N 1 0 396.329 2.798 20 0 GFADRO Cc1cc(Br)c(CC(=O)NCCCC[N@@H+]2CCC[C@H]2CO)s1 ZINC000907067415 663999243 /nfs/dbraw/zinc/99/92/43/663999243.db2.gz GAJMADAORVDDIY-ZDUSSCGKSA-N 1 0 389.359 2.715 20 0 GFADRO CS[C@H]1CN(C(=O)c2ccc(Cn3cc(Cl)cn3)s2)C[C@@H]1[NH+](C)C ZINC000907147039 664006601 /nfs/dbraw/zinc/00/66/01/664006601.db2.gz RMSSUSYMCQVFNY-ZFWWWQNUSA-N 1 0 384.958 2.764 20 0 GFADRO C[C@@H]1CN(S(=O)(=O)c2c[nH]c3ncc(Cl)cc23)CC[N@@H+](C2CCC2)C1 ZINC000907196522 664011041 /nfs/dbraw/zinc/01/10/41/664011041.db2.gz IBRGOAZWKBAPMZ-LBPRGKRZSA-N 1 0 382.917 2.711 20 0 GFADRO Cc1ccc(C[N@H+]2CC[C@H](CN(C)S(=O)(=O)N3CCCC[C@H]3C)C2)s1 ZINC000907346899 664026327 /nfs/dbraw/zinc/02/63/27/664026327.db2.gz PIRXCMWKTRPSTI-NVXWUHKLSA-N 1 0 385.599 2.929 20 0 GFADRO Cc1ccc(C[N@H+]2CC[C@H](CN(C)S(=O)(=O)CC[C@H]3CCOC3)C2)s1 ZINC000907347498 664026900 /nfs/dbraw/zinc/02/69/00/664026900.db2.gz SAXXAFIADVAEKC-IAGOWNOFSA-N 1 0 386.583 2.567 20 0 GFADRO C[NH+](C)CC1(CNC(=O)c2cc(Br)cn(C3CC3)c2=O)CCCC1 ZINC000907377253 664030359 /nfs/dbraw/zinc/03/03/59/664030359.db2.gz HYGDUXNUENNZBP-UHFFFAOYSA-N 1 0 396.329 2.798 20 0 GFADRO Cc1cc(Br)c(CC(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)s1 ZINC000907757798 664059288 /nfs/dbraw/zinc/05/92/88/664059288.db2.gz XFVXMQVZMJTZNN-GFCCVEGCSA-N 1 0 389.359 2.979 20 0 GFADRO Cc1cc(F)c(Br)cc1S(=O)(=O)N1CCC12CC[NH+](C)CC2 ZINC000907856321 664066021 /nfs/dbraw/zinc/06/60/21/664066021.db2.gz SEDUTNCGFGCIJJ-UHFFFAOYSA-N 1 0 391.306 2.755 20 0 GFADRO C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)NCC1(c2ccc(Br)s2)CCC1 ZINC000908120543 664084795 /nfs/dbraw/zinc/08/47/95/664084795.db2.gz KCRLOBQTKFAUBT-ABAIWWIYSA-N 1 0 387.343 2.504 20 0 GFADRO C[N@@H+]1CCC[C@](O)(CC(=O)N[C@H]2CCc3c2ccc(F)c3Br)C1 ZINC000909047451 664142563 /nfs/dbraw/zinc/14/25/63/664142563.db2.gz GWSVOGLDCPYXLL-YOEHRIQHSA-N 1 0 385.277 2.539 20 0 GFADRO CC[NH+](CC)CC(=O)N1CCc2[nH]cnc2[C@H]1c1ccc(Br)cc1 ZINC000911253145 664240522 /nfs/dbraw/zinc/24/05/22/664240522.db2.gz PLROCYIJCDKLRP-GOSISDBHSA-N 1 0 391.313 2.988 20 0 GFADRO CC[C@@H](C(=O)N1CCc2[nH]cnc2[C@@H]1c1ccc(Br)cc1)[NH+](C)C ZINC000911253352 664240534 /nfs/dbraw/zinc/24/05/34/664240534.db2.gz UJUIADWXXAMYJR-RDJZCZTQSA-N 1 0 391.313 2.987 20 0 GFADRO C[NH2+]CC1CCN(C(=O)[C@H](C)c2ccc(I)cc2)CC1 ZINC000911779513 664256378 /nfs/dbraw/zinc/25/63/78/664256378.db2.gz WFIFYGMHGLFJQF-GFCCVEGCSA-N 1 0 386.277 2.853 20 0 GFADRO C[C@@H]1CN(C(=O)c2ccc(Cn3cc(Br)cn3)s2)CC[C@@H]1[NH3+] ZINC000911818641 664256915 /nfs/dbraw/zinc/25/69/15/664256915.db2.gz MZFGBUXVSVLKEH-MFKMUULPSA-N 1 0 383.315 2.565 20 0 GFADRO C[C@@H]1CN(C(=O)c2ccc(Cn3cc(Br)cn3)s2)CC[C@H]1[NH3+] ZINC000911818644 664256932 /nfs/dbraw/zinc/25/69/32/664256932.db2.gz MZFGBUXVSVLKEH-ZWNOBZJWSA-N 1 0 383.315 2.565 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)c2cc(Br)c(Br)[nH]2)C1 ZINC000911820788 664257202 /nfs/dbraw/zinc/25/72/02/664257202.db2.gz HLCBMJLOPGIALW-JGVFFNPUSA-N 1 0 379.096 2.739 20 0 GFADRO O=C(c1cnn2cccc(Br)c12)N1CCC([NH2+]CC2CC2)CC1 ZINC000911841240 664258334 /nfs/dbraw/zinc/25/83/34/664258334.db2.gz MZIVUMNYDJDGAH-UHFFFAOYSA-N 1 0 377.286 2.701 20 0 GFADRO C[C@H](CNc1ccc(-c2nnc(Br)o2)cc1)[NH+]1CCN(C)CC1 ZINC000911842330 664258366 /nfs/dbraw/zinc/25/83/66/664258366.db2.gz WAPSDSIGGRJBTJ-GFCCVEGCSA-N 1 0 380.290 2.547 20 0 GFADRO COc1ccc(Br)cc1[C@@H](N)C(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000911855079 664259065 /nfs/dbraw/zinc/25/90/65/664259065.db2.gz HBHSKXWBVPPCKD-APPDUMDISA-N 1 0 392.297 2.794 20 0 GFADRO CN(CC(C)(C)C[NH3+])C(=O)c1ccc(Cn2cc(Br)cn2)s1 ZINC000911865041 664259542 /nfs/dbraw/zinc/25/95/42/664259542.db2.gz QIUUYUDUZWPXQU-UHFFFAOYSA-N 1 0 385.331 2.812 20 0 GFADRO Cc1cc(I)ccc1NC(=O)C1([C@H](C)[NH3+])CCOCC1 ZINC000911920060 664261952 /nfs/dbraw/zinc/26/19/52/664261952.db2.gz RUJPKRFKPGDNPL-NSHDSACASA-N 1 0 388.249 2.682 20 0 GFADRO CC[N@H+]1[C@H](C)CN(C(=O)c2cccnc2-n2cc(Br)cn2)C[C@@H]1C ZINC000912023018 664267013 /nfs/dbraw/zinc/26/70/13/664267013.db2.gz BVKWDMANUAJEIU-BETUJISGSA-N 1 0 392.301 2.585 20 0 GFADRO CN(CCOc1ccc(Br)cc1)C(=O)c1cc2n(n1)CCC[C@H]2[NH3+] ZINC000912031313 664267509 /nfs/dbraw/zinc/26/75/09/664267509.db2.gz CXZGISXRYYTUST-CQSZACIVSA-N 1 0 393.285 2.590 20 0 GFADRO O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1cc(Br)cn(C2CC2)c1=O ZINC000912065956 664269296 /nfs/dbraw/zinc/26/92/96/664269296.db2.gz PALQKQZXANJBNE-CVEARBPZSA-N 1 0 394.313 2.692 20 0 GFADRO Cc1ccc([C@@H](C)N(C)C(=O)c2cc(Br)cn(CC[NH3+])c2=O)cc1 ZINC000912352104 664283004 /nfs/dbraw/zinc/28/30/04/664283004.db2.gz LKHOZHVIBXKAHD-CYBMUJFWSA-N 1 0 392.297 2.711 20 0 GFADRO O=C(C[C@]1(O)CCC[NH2+]C1)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000912465345 664288554 /nfs/dbraw/zinc/28/85/54/664288554.db2.gz BGGHNMQTPUQWJZ-OUJBWJOFSA-N 1 0 376.341 2.517 20 0 GFADRO C[N@@H+]1CCC[C@@](O)(CC(=O)N[C@H]2CSCc3ccc(Br)cc32)C1 ZINC000912466074 664288941 /nfs/dbraw/zinc/28/89/41/664288941.db2.gz RVPQGYIUPDXDSF-DOTOQJQBSA-N 1 0 399.354 2.700 20 0 GFADRO [NH3+][C@H]1CCc2cc(C(=O)NCc3ccc(Br)s3)ccc2NC1=O ZINC000912495956 664290669 /nfs/dbraw/zinc/29/06/69/664290669.db2.gz QMGWFBQCGGMFLO-LBPRGKRZSA-N 1 0 394.294 2.653 20 0 GFADRO C[C@@H]1CCC[C@H](CC[NH+](C)C)N1C(=O)c1c(Br)nc2n1CCOC2 ZINC000912649180 664295936 /nfs/dbraw/zinc/29/59/36/664295936.db2.gz PUWYMCBYGKOFPX-CHWSQXEVSA-N 1 0 399.333 2.511 20 0 GFADRO O=C(c1c(F)cccc1I)N1CCC([NH+]2CCC2)CC1 ZINC000912876339 664307092 /nfs/dbraw/zinc/30/70/92/664307092.db2.gz GUWIZWPSTFRSJN-UHFFFAOYSA-N 1 0 388.224 2.741 20 0 GFADRO O=C(c1cc(F)ccc1I)N1CCC([NH+]2CCC2)CC1 ZINC000912880517 664307255 /nfs/dbraw/zinc/30/72/55/664307255.db2.gz WOSJRLCSCIRETB-UHFFFAOYSA-N 1 0 388.224 2.741 20 0 GFADRO Cc1cc(I)cc(C(=O)N2CC[C@H]([NH+]3CCC3)C2)c1C ZINC000912912766 664309718 /nfs/dbraw/zinc/30/97/18/664309718.db2.gz DKCSJKOZKSRRNQ-AWEZNQCLSA-N 1 0 384.261 2.828 20 0 GFADRO COCC[C@H](Cc1cccc(Br)c1)C(=O)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000912917209 664309730 /nfs/dbraw/zinc/30/97/30/664309730.db2.gz WOGJOLGKBUGVJX-SJLPKXTDSA-N 1 0 395.341 2.951 20 0 GFADRO O=C([C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)N1CC[C@H]([NH+]2CCC2)C1 ZINC000912920571 664310159 /nfs/dbraw/zinc/31/01/59/664310159.db2.gz YZNSVICGSMVTJA-KBPBESRZSA-N 1 0 382.291 2.653 20 0 GFADRO C[N@@H+]1CCCC[C@@H](CNC(=O)C(F)(F)c2ncccc2Br)C1 ZINC000913007095 664316442 /nfs/dbraw/zinc/31/64/42/664316442.db2.gz RZUVRFYGIOTASI-NSHDSACASA-N 1 0 376.245 2.784 20 0 GFADRO CN(C)C(=O)c1ccc(C[NH2+]C[C@@H](O)c2cccc(Br)c2)cc1 ZINC000913116714 664325502 /nfs/dbraw/zinc/32/55/02/664325502.db2.gz HECJCIZZNVDAFL-QGZVFWFLSA-N 1 0 377.282 2.974 20 0 GFADRO Cc1cc2c(NC(=O)c3ccnn3CC[NH+](C)C)n[nH]c2c(Br)c1 ZINC000913243604 664329181 /nfs/dbraw/zinc/32/91/81/664329181.db2.gz YMVBLIBQXKHGSE-UHFFFAOYSA-N 1 0 391.273 2.644 20 0 GFADRO C[NH+]1C[C@]2(C)CN(C(=O)c3cnn(C(C)(C)C)c3Br)C[C@@]2(C)C1 ZINC000913274626 664330694 /nfs/dbraw/zinc/33/06/94/664330694.db2.gz ODWBOGQBDWDESD-IAGOWNOFSA-N 1 0 383.334 2.814 20 0 GFADRO CC[NH+]1CCC(N(C)S(=O)(=O)Cc2cccc(F)c2Br)CC1 ZINC000913886089 664363653 /nfs/dbraw/zinc/36/36/53/664363653.db2.gz RKABAJJRHOVCST-UHFFFAOYSA-N 1 0 393.322 2.834 20 0 GFADRO CCO[C@@H](CNC(=O)NCc1ccc(-c2csc(C)n2)s1)C[NH+](C)C ZINC000913945568 664367673 /nfs/dbraw/zinc/36/76/73/664367673.db2.gz QTQAKCCLWPPTHI-ZDUSSCGKSA-N 1 0 382.555 2.946 20 0 GFADRO O=S(=O)(c1cnc(-c2ccccc2)s1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000914169714 664381182 /nfs/dbraw/zinc/38/11/82/664381182.db2.gz ZSZGXXYNGAWMQW-HNNXBMFYSA-N 1 0 377.535 2.917 20 0 GFADRO O=S(=O)(Cc1ccsc1Br)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000914169346 664381271 /nfs/dbraw/zinc/38/12/71/664381271.db2.gz RDSCCNGSDTTXQU-LBPRGKRZSA-N 1 0 393.372 2.758 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)N1CCC[C@H]1c1ncc(Br)cn1 ZINC000914218750 664387153 /nfs/dbraw/zinc/38/71/53/664387153.db2.gz GFCNVWZIZLHLAQ-KFWWJZLASA-N 1 0 394.317 2.712 20 0 GFADRO CC[NH+](CC)[C@@H](CNC(=O)NCc1cn(C)nc1Br)c1ccco1 ZINC000915077663 664420811 /nfs/dbraw/zinc/42/08/11/664420811.db2.gz AVANLUQAJBMNQX-ZDUSSCGKSA-N 1 0 398.305 2.658 20 0 GFADRO C[C@H](CC[NH+](C)C)NC(=O)N1CCCC[C@H]1c1ncc(Br)cn1 ZINC000915152558 664422140 /nfs/dbraw/zinc/42/21/40/664422140.db2.gz DKRWRINEOMJBDQ-OCCSQVGLSA-N 1 0 384.322 2.816 20 0 GFADRO O=C(NCCc1ccccc1Br)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000915425182 664430563 /nfs/dbraw/zinc/43/05/63/664430563.db2.gz FBXFZDBABSFEPA-MRXNPFEDSA-N 1 0 396.329 2.544 20 0 GFADRO O=C(NCCC[NH+]1CCN(c2ccccc2)CC1)NC[C@H]1CC1(Cl)Cl ZINC000915693339 664437874 /nfs/dbraw/zinc/43/78/74/664437874.db2.gz LXBYBYCIBHQNHZ-OAHLLOKOSA-N 1 0 385.339 2.692 20 0 GFADRO CC(C)C[C@@H](C[NH+](C)C)NC(=O)/C=C\c1ccc(I)o1 ZINC000915704748 664438255 /nfs/dbraw/zinc/43/82/55/664438255.db2.gz ZWWFUXHPJSKEOO-VFFGBVLKSA-N 1 0 390.265 2.990 20 0 GFADRO CCCC[NH+]1CCC(NC(=O)N(C)Cc2ncc(Br)cn2)CC1 ZINC000915716925 664438833 /nfs/dbraw/zinc/43/88/33/664438833.db2.gz IYRKNCHNRSWVCO-UHFFFAOYSA-N 1 0 384.322 2.645 20 0 GFADRO C[C@@H](CNC(=O)C(=O)Nc1cccc(C2SCCS2)c1)[NH+]1CCCC1 ZINC000915764505 664440138 /nfs/dbraw/zinc/44/01/38/664440138.db2.gz DZJFZDIDPVXRKA-ZDUSSCGKSA-N 1 0 379.551 2.704 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(S(=O)(=O)c3cc(Cl)ccc3C(F)(F)F)C[C@@H]2C1 ZINC000916661881 664468276 /nfs/dbraw/zinc/46/82/76/664468276.db2.gz ILOWJOQYXNECNS-MNOVXSKESA-N 1 0 382.835 2.931 20 0 GFADRO O[C@H](CN1CCC[N@H+](C[C@H]2CCCO2)CC1)c1cccc(Br)c1 ZINC000917052708 664475520 /nfs/dbraw/zinc/47/55/20/664475520.db2.gz LEBFCXCGCAYNRV-QZTJIDSGSA-N 1 0 383.330 2.669 20 0 GFADRO Cc1csc(C)c1S(=O)(=O)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000917249684 664479040 /nfs/dbraw/zinc/47/90/40/664479040.db2.gz AESZYDOJSSNNSA-UHFFFAOYSA-N 1 0 379.551 2.950 20 0 GFADRO C[C@H](NC(=O)NC1CC[NH+](CCO)CC1)c1cc(Cl)cc(Cl)c1F ZINC000917836094 664490560 /nfs/dbraw/zinc/49/05/60/664490560.db2.gz CRMFSCWUEUUXRM-JTQLQIEISA-N 1 0 378.275 2.949 20 0 GFADRO C[C@H](C[NH+](C)C)[C@@H]1CCCCN1S(=O)(=O)c1occc1Br ZINC000917867745 664491434 /nfs/dbraw/zinc/49/14/34/664491434.db2.gz YDWKXPQYCVGJGA-YPMHNXCESA-N 1 0 379.320 2.783 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CNC(=S)NCCOc1cccc(Br)c1 ZINC000918162137 664495981 /nfs/dbraw/zinc/49/59/81/664495981.db2.gz GHWNMLYLDIIEMV-CQSZACIVSA-N 1 0 386.359 2.776 20 0 GFADRO C[NH+](C)CCCOC(=O)Cn1cnc2scc(-c3cccs3)c2c1=O ZINC000919278739 664510689 /nfs/dbraw/zinc/51/06/89/664510689.db2.gz FYRAPSCULPHAKZ-UHFFFAOYSA-N 1 0 377.491 2.681 20 0 GFADRO CS(=O)(=O)c1ccc([C@H](O)C[NH2+][C@@H]2CCOc3c(Cl)cccc32)cc1 ZINC000920094272 664522105 /nfs/dbraw/zinc/52/21/05/664522105.db2.gz CBFWFTPWHCBXSK-IAGOWNOFSA-N 1 0 381.881 2.890 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)NC2(c3ncc(Br)cn3)CCC2)C1 ZINC000921330068 664541839 /nfs/dbraw/zinc/54/18/39/664541839.db2.gz BNNWGLAOOMKJMT-ZIAGYGMSSA-N 1 0 396.333 2.790 20 0 GFADRO C[NH+](C)CC[C@@H](NS(=O)(=O)C[C@H]1CCCC(F)(F)C1)c1cccnc1 ZINC000921479165 664550038 /nfs/dbraw/zinc/55/00/38/664550038.db2.gz CKWZDCLQHUMSQM-GOEBONIOSA-N 1 0 375.485 2.819 20 0 GFADRO COc1cc(Cl)ccc1S(=O)(=O)N[C@@H](CC[NH+](C)C)c1cccnc1 ZINC000921482413 664550308 /nfs/dbraw/zinc/55/03/08/664550308.db2.gz LXDZEDWOKPLHRT-HNNXBMFYSA-N 1 0 383.901 2.715 20 0 GFADRO C[NH+](C)CC[C@H](NS(=O)(=O)c1ccc(Cl)nc1Cl)c1cccnc1 ZINC000921482666 664550362 /nfs/dbraw/zinc/55/03/62/664550362.db2.gz RZBIMWJUUBRPHP-LBPRGKRZSA-N 1 0 389.308 2.755 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CC[NH2+]Cc1cnc2n1CCOC2 ZINC000921653674 664559325 /nfs/dbraw/zinc/55/93/25/664559325.db2.gz KUMCLTHORNQFLE-UHFFFAOYSA-N 1 0 393.285 2.603 20 0 GFADRO Cc1cc(C[NH2+][C@H]2CCCS(=O)(=O)C2)c(C)cc1I ZINC000921751221 664566478 /nfs/dbraw/zinc/56/64/78/664566478.db2.gz BEKJVASHCXUJMT-ZDUSSCGKSA-N 1 0 393.290 2.575 20 0 GFADRO Cc1cccc(C[NH2+][C@H]2CCN(S(C)(=O)=O)C[C@@H]2C)c1Br ZINC000921801994 664569785 /nfs/dbraw/zinc/56/97/85/664569785.db2.gz YVTNGZCOCLPWIP-JSGCOSHPSA-N 1 0 375.332 2.517 20 0 GFADRO CCc1nncn1CC[NH2+]Cc1cc(C)c(I)cc1C ZINC000921802334 664569827 /nfs/dbraw/zinc/56/98/27/664569827.db2.gz OYRXYEGTDRBGDY-UHFFFAOYSA-N 1 0 384.265 2.852 20 0 GFADRO Cc1cc(C[NH2+]Cc2ccc(C(N)=O)nc2)c(C)cc1I ZINC000921828431 664570907 /nfs/dbraw/zinc/57/09/07/664570907.db2.gz VTRLZUYDVZUFFF-UHFFFAOYSA-N 1 0 395.244 2.692 20 0 GFADRO CCn1c(Br)c(Br)nc1CN[C@@H]1C[N@H+](CC)C[C@H]1C ZINC000921833315 664571225 /nfs/dbraw/zinc/57/12/25/664571225.db2.gz VUKKAEZDJPDXGN-NXEZZACHSA-N 1 0 394.155 2.858 20 0 GFADRO COc1cc(OC)cc(N2CC[C@H](C[NH2+]Cc3nc(Br)c[nH]3)C2)c1 ZINC000921835375 664571428 /nfs/dbraw/zinc/57/14/28/664571428.db2.gz SVUYGWRPBMCVKN-GFCCVEGCSA-N 1 0 395.301 2.806 20 0 GFADRO O=S(=O)(Cc1ccc(Cl)c(Cl)c1)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000921911097 664575927 /nfs/dbraw/zinc/57/59/27/664575927.db2.gz FQXUWRLCWVZWRL-CQSZACIVSA-N 1 0 393.336 2.666 20 0 GFADRO CN(CC[NH2+]Cc1cn(C)nc1C1CCCC1)S(=O)(=O)c1cccs1 ZINC000921915989 664576129 /nfs/dbraw/zinc/57/61/29/664576129.db2.gz QAIZVZZXEIGSQS-UHFFFAOYSA-N 1 0 382.555 2.550 20 0 GFADRO O=C(Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1)c1cc(Br)[nH]n1 ZINC000921962440 664578803 /nfs/dbraw/zinc/57/88/03/664578803.db2.gz YUECYPDYPMNFLT-CQSZACIVSA-N 1 0 390.285 2.709 20 0 GFADRO FC(F)(F)COc1ccc(CC[NH2+]Cc2nc(Br)c[nH]2)cn1 ZINC000922016048 664581234 /nfs/dbraw/zinc/58/12/34/664581234.db2.gz WLYHSONRPLZKHN-UHFFFAOYSA-N 1 0 379.180 2.841 20 0 GFADRO Cc1cc(C[NH2+]CCCc2ncn(C)n2)c(C)cc1I ZINC000922210556 664590162 /nfs/dbraw/zinc/59/01/62/664590162.db2.gz WMDKYEIYLNBWBD-UHFFFAOYSA-N 1 0 384.265 2.759 20 0 GFADRO C[C@@H]1[C@H]([NH2+]Cc2cc3c(cc(F)cc3Br)[nH]2)CCS1(=O)=O ZINC000922296158 664593927 /nfs/dbraw/zinc/59/39/27/664593927.db2.gz FOMCDMJHFJTCIH-AMIZOPFISA-N 1 0 375.263 2.735 20 0 GFADRO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NCc3ncc(Br)s3)C2)[C@@H]1C(C)C ZINC000922392722 664599091 /nfs/dbraw/zinc/59/90/91/664599091.db2.gz GQGKDUIGZQZEMZ-MPTQWLOMSA-N 1 0 388.375 2.865 20 0 GFADRO Cc1cc(C[NH2+]CC2CCC(S(C)(=O)=O)CC2)ncc1Br ZINC000922418538 664600770 /nfs/dbraw/zinc/60/07/70/664600770.db2.gz XVPWGIIPAGBMGI-UHFFFAOYSA-N 1 0 375.332 2.846 20 0 GFADRO Cc1nn(C)c(OCC(F)(F)F)c1C[NH2+]C[C@@H]1CC[C@@H](C(F)(F)F)O1 ZINC000922465110 664602759 /nfs/dbraw/zinc/60/27/59/664602759.db2.gz XQPRDWPDVHWANJ-ONGXEEELSA-N 1 0 375.313 2.869 20 0 GFADRO CCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCC[C@H]1c1ncc(Br)cn1 ZINC000922467214 664602769 /nfs/dbraw/zinc/60/27/69/664602769.db2.gz XDZTYTVVKBNKNR-GJZGRUSLSA-N 1 0 396.333 2.960 20 0 GFADRO CN1C[C@@H](CC[NH2+]Cc2nc(-c3cccc(Br)c3)c[nH]2)CC1=O ZINC000922489590 664603758 /nfs/dbraw/zinc/60/37/58/664603758.db2.gz QDKJRSJIMDNZLH-LBPRGKRZSA-N 1 0 377.286 2.797 20 0 GFADRO OC1(C2(C[NH2+]Cc3cc(Br)cc4c3OCC4)CC2)CCOCC1 ZINC000922594709 664607667 /nfs/dbraw/zinc/60/76/67/664607667.db2.gz FIGMKSYCPSEYGQ-UHFFFAOYSA-N 1 0 382.298 2.795 20 0 GFADRO O=C(N[C@@H]1CCO[C@H](c2cccs2)C1)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000922756581 664613693 /nfs/dbraw/zinc/61/36/93/664613693.db2.gz LZYAKZCQKIXKTB-FPCVCCKLSA-N 1 0 381.567 2.847 20 0 GFADRO Brc1cc(C[NH2+]C[C@@H]2CCC3(CCOCC3)O2)cc2c1OCO2 ZINC000922811477 664615326 /nfs/dbraw/zinc/61/53/26/664615326.db2.gz MNLQYRGXYGJDRQ-ZDUSSCGKSA-N 1 0 384.270 2.996 20 0 GFADRO CS(=O)(=O)C[C@H](O)C[NH2+]Cc1ccc(-c2ccccc2Br)cc1 ZINC000922822928 664615768 /nfs/dbraw/zinc/61/57/68/664615768.db2.gz KMRAYHDNHHJPLI-OAHLLOKOSA-N 1 0 398.322 2.611 20 0 GFADRO COC(=O)c1cnc(CC[NH2+]Cc2cn3ccc(Br)cc3n2)s1 ZINC000922833170 664616182 /nfs/dbraw/zinc/61/61/82/664616182.db2.gz QGEQAFUVTOZAIV-UHFFFAOYSA-N 1 0 395.282 2.672 20 0 GFADRO CC[N@@H+]1CC[C@@H](NC(=O)N2CCCC[C@@H]2c2ncc(Br)cn2)C1 ZINC000922907080 664618217 /nfs/dbraw/zinc/61/82/17/664618217.db2.gz HAGBOGUWQMTVHR-ZIAGYGMSSA-N 1 0 382.306 2.570 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+]C[C@@]2(c3ccccc3)CCCO2)cc1Cl ZINC000922959860 664620138 /nfs/dbraw/zinc/62/01/38/664620138.db2.gz HNNTWRSCJIRMRG-GOSISDBHSA-N 1 0 380.897 2.783 20 0 GFADRO Cn1nccc1[C@H](O)C[NH2+]Cc1cccc(Br)c1OC(F)F ZINC000922974854 664620312 /nfs/dbraw/zinc/62/03/12/664620312.db2.gz RQLGIHZYWMRTLG-GFCCVEGCSA-N 1 0 376.201 2.607 20 0 GFADRO Cn1nccc1[C@@H](O)C[NH2+]Cc1ccc(OC(F)F)c(Br)c1 ZINC000922975150 664620437 /nfs/dbraw/zinc/62/04/37/664620437.db2.gz WJJNNHDHAUIRTF-LBPRGKRZSA-N 1 0 376.201 2.607 20 0 GFADRO O=C(Nc1cc(Br)cc2c1NC(=O)CO2)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC000923024893 664621512 /nfs/dbraw/zinc/62/15/12/664621512.db2.gz IXMPBMWYPAQYFU-WCQYABFASA-N 1 0 394.269 2.735 20 0 GFADRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)N2CCCC[C@@H]2c2ncc(Br)cn2)C1 ZINC000923120735 664622532 /nfs/dbraw/zinc/62/25/32/664622532.db2.gz WCOZHCQJIBTKIJ-VHDGCEQUSA-N 1 0 396.333 2.816 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)N2CCC[C@@H]2c2ncc(Br)cn2)C1 ZINC000923190277 664623956 /nfs/dbraw/zinc/62/39/56/664623956.db2.gz MUDZLAYGPPVISV-UONOGXRCSA-N 1 0 396.333 2.958 20 0 GFADRO Clc1cncc(CN2CC[NH2+]CCN(Cc3cncc(Cl)c3)CC2)c1 ZINC000923394459 664629494 /nfs/dbraw/zinc/62/94/94/664629494.db2.gz JFTZNUBMUXPDRD-UHFFFAOYSA-N 1 0 380.323 2.691 20 0 GFADRO OCC[NH2+][C@@H]1CCCN(Cc2coc(-c3ccc(Br)cc3)n2)C1 ZINC000923407555 664630040 /nfs/dbraw/zinc/63/00/40/664630040.db2.gz NVYJOZVHDCTZJY-OAHLLOKOSA-N 1 0 380.286 2.650 20 0 GFADRO COC(OC)[C@H](C)NC(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000923450224 664630818 /nfs/dbraw/zinc/63/08/18/664630818.db2.gz SYKQBTFZXHDUFO-HZMBPMFUSA-N 1 0 378.300 2.903 20 0 GFADRO Cn1ncc(Br)c1CN1C[C@@H](C[C@@H]2COCC[NH2+]2)c2ccccc21 ZINC000923539440 664633381 /nfs/dbraw/zinc/63/33/81/664633381.db2.gz FGCFLDBSCGKZLB-ZIAGYGMSSA-N 1 0 391.313 2.665 20 0 GFADRO [NH3+][C@@H]1CN(S(=O)(=O)c2cnc(-c3ccccc3)s2)CC[C@H]1C(F)(F)F ZINC000923677228 664635456 /nfs/dbraw/zinc/63/54/56/664635456.db2.gz GHKFKWRAZAUNMF-VXGBXAGGSA-N 1 0 391.440 2.710 20 0 GFADRO O=S(=O)(c1ccc(Cl)nc1F)N1CCC([C@H]2CCC[NH2+]CC2)CC1 ZINC000923704631 664636613 /nfs/dbraw/zinc/63/66/13/664636613.db2.gz YXFGJSILQBYCFS-LBPRGKRZSA-N 1 0 375.897 2.665 20 0 GFADRO [NH3+][C@@H]1CC[C@H](CNS(=O)(=O)Cc2ccc(Cl)cc2Br)C1 ZINC000923741194 664637384 /nfs/dbraw/zinc/63/73/84/664637384.db2.gz WRWXEVYQJPGWQZ-JOYOIKCWSA-N 1 0 381.723 2.649 20 0 GFADRO Cc1csc(S(=O)(=O)N2C[C@@H](C[C@@H]3COCC[NH2+]3)c3ccccc32)c1 ZINC000923743425 664637493 /nfs/dbraw/zinc/63/74/93/664637493.db2.gz IQIQPPZXCMEDKP-HUUCEWRRSA-N 1 0 378.519 2.728 20 0 GFADRO Brc1cnn2cc(-c3nc([C@@H]4C[N@@H+]5CCC[C@@H]5CO4)no3)ccc12 ZINC000923959984 664641728 /nfs/dbraw/zinc/64/17/28/664641728.db2.gz PPARGBNLCSRCHE-RISCZKNCSA-N 1 0 390.241 2.683 20 0 GFADRO Cc1ccc(CNC(=O)NC[C@@H]2CC[N@@H+]2C2CCOCC2)cc1Br ZINC000923966304 664642082 /nfs/dbraw/zinc/64/20/82/664642082.db2.gz XWJUDMXFWLDXPZ-INIZCTEOSA-N 1 0 396.329 2.810 20 0 GFADRO CN(C)c1cc[nH+]c(CNC(=O)NC[C@H](O)c2ccc(Cl)c(Cl)c2)c1 ZINC000924674636 664659387 /nfs/dbraw/zinc/65/93/87/664659387.db2.gz PZUWFSRIIRQRIT-INIZCTEOSA-N 1 0 383.279 2.987 20 0 GFADRO CNC(=O)COc1cccc(C[NH2+][C@H](C)c2cccc(Br)n2)c1 ZINC000924714570 664660234 /nfs/dbraw/zinc/66/02/34/664660234.db2.gz CKWIQRIRERLWLM-GFCCVEGCSA-N 1 0 378.270 2.820 20 0 GFADRO O=C(NCC[NH2+][C@H](C1CC1)C1CCOCC1)c1ccc(Br)cc1 ZINC000924733350 664660402 /nfs/dbraw/zinc/66/04/02/664660402.db2.gz SRSQIGUONBRQEG-QGZVFWFLSA-N 1 0 381.314 2.974 20 0 GFADRO C[C@H]([NH2+]C[C@@]1(N2CCOCC2)CCSC1)c1cccc(Br)n1 ZINC000924787715 664661950 /nfs/dbraw/zinc/66/19/50/664661950.db2.gz KLJFIFNKBISOOU-BBRMVZONSA-N 1 0 386.359 2.703 20 0 GFADRO CN1C(=O)N([C@H]2CC[N@@H+](C3CC3)C2)C(=O)[C@H]1c1ccc(Br)s1 ZINC000924884637 664663668 /nfs/dbraw/zinc/66/36/68/664663668.db2.gz CVSQIVFOJWFADC-GXFFZTMASA-N 1 0 384.299 2.682 20 0 GFADRO C[N@@H+]1C[C@H](O)C[C@@H]1CNC(=O)CCSc1ccnc2cc(Cl)ccc21 ZINC000924986043 664664735 /nfs/dbraw/zinc/66/47/35/664664735.db2.gz GMGAYAXSXGSPIM-ZIAGYGMSSA-N 1 0 379.913 2.552 20 0 GFADRO C[C@H]([NH2+]C[C@@H](O)c1ccc(Cl)cc1Cl)C1CCN(S(C)(=O)=O)CC1 ZINC000925030366 664665606 /nfs/dbraw/zinc/66/56/06/664665606.db2.gz WFMIXSMYZSYUBT-MEDUHNTESA-N 1 0 395.352 2.677 20 0 GFADRO CN(Cc1ccc(Br)o1)C(=O)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000925144831 664667275 /nfs/dbraw/zinc/66/72/75/664667275.db2.gz QRZYPYRXWLVUHY-STQMWFEESA-N 1 0 388.331 2.763 20 0 GFADRO Cc1csc([C@@H]2CCCN(C(=O)N[C@@H]3CCC[N@@H+]4CCSC[C@H]34)C2)n1 ZINC000925151568 664667379 /nfs/dbraw/zinc/66/73/79/664667379.db2.gz KEWYLBFLEQNBND-BZUAXINKSA-N 1 0 380.583 2.920 20 0 GFADRO O=C(Nc1nnc(-c2ccsc2)s1)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000925148322 664667520 /nfs/dbraw/zinc/66/75/20/664667520.db2.gz LYUKLUKHOAULSX-VXGBXAGGSA-N 1 0 381.552 2.968 20 0 GFADRO O=C(N[C@@H]1CCC[N@@H+]2CCSC[C@H]12)N1CCC[C@@H](Cc2nccs2)C1 ZINC000925173784 664668018 /nfs/dbraw/zinc/66/80/18/664668018.db2.gz ZDKZUGGOMKZCLL-ARFHVFGLSA-N 1 0 380.583 2.687 20 0 GFADRO CC(C)(C)OC(=O)N[C@H]1C[C@H]2COC[C@@H](C1)[C@H]2[NH2+]C[C@H]1CSCCS1 ZINC000925241512 664669263 /nfs/dbraw/zinc/66/92/63/664669263.db2.gz ICLKYQUVKOFZLW-QRJUGERDSA-N 1 0 388.599 2.743 20 0 GFADRO O=S(=O)(C[C@H](O)C[NH2+]C1CC(Sc2ccccc2)C1)c1cccs1 ZINC000925608241 664673540 /nfs/dbraw/zinc/67/35/40/664673540.db2.gz UMDWZNKSRUHXPA-NPCAHTBFSA-N 1 0 383.560 2.796 20 0 GFADRO Brc1cncc(Br)c1CN[C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000925677902 664673967 /nfs/dbraw/zinc/67/39/67/664673967.db2.gz AMPRZPLXULEGCR-YTHRQHQBSA-N 1 0 387.119 2.693 20 0 GFADRO Cn1ncc(I)c1CN[C@H](CCC[NH3+])c1ccccc1 ZINC000925727477 664674175 /nfs/dbraw/zinc/67/41/75/664674175.db2.gz FMQJTRLNMQVRKO-CQSZACIVSA-N 1 0 384.265 2.595 20 0 GFADRO C[C@@H](Oc1ccc(Cl)cc1Cl)[C@H](C)[NH2+]CC[C@H]1CNCCS1(=O)=O ZINC000925791003 664674689 /nfs/dbraw/zinc/67/46/89/664674689.db2.gz DNCXNDPQKXWNIJ-SCRDCRAPSA-N 1 0 395.352 2.516 20 0 GFADRO CCC[C@@H]([NH2+]CC[C@@H]1CNCCS1(=O)=O)c1cccc(C(F)(F)F)c1 ZINC000925796087 664674895 /nfs/dbraw/zinc/67/48/95/664674895.db2.gz NZRNZSMFGPGDSH-HZPDHXFCSA-N 1 0 378.460 2.913 20 0 GFADRO CC[C@H](CSc1ccc(Cl)cc1)[NH2+]CC[C@@H]1CNCCS1(=O)=O ZINC000925797060 664675050 /nfs/dbraw/zinc/67/50/50/664675050.db2.gz OXCGQMNVAMQFFF-GDBMZVCRSA-N 1 0 376.975 2.577 20 0 GFADRO [NH3+][C@@H]1CC[C@H](CNC(=O)Nc2cc(Br)ccc2N2CCOCC2)C1 ZINC000925959392 664678251 /nfs/dbraw/zinc/67/82/51/664678251.db2.gz HRXWPKTYGUWERE-GXTWGEPZSA-N 1 0 397.317 2.535 20 0 GFADRO COc1cc(Br)c(NC(=O)N2CC[C@H](C[NH3+])[C@@H](C)C2)cc1OC ZINC000925972577 664678475 /nfs/dbraw/zinc/67/84/75/664678475.db2.gz GRUABSNRBZOLBT-WDEREUQCSA-N 1 0 386.290 2.915 20 0 GFADRO COc1ccc(NC(=O)NCCCCCN2CC[NH2+]CC2)c(Br)c1 ZINC000926005067 664679069 /nfs/dbraw/zinc/67/90/69/664679069.db2.gz BEYDTUYODMORLK-UHFFFAOYSA-N 1 0 399.333 2.655 20 0 GFADRO C[NH2+]CCN(C(=O)Nc1cc(C(=O)OC)c(F)cc1Br)C(C)C ZINC000926045667 664679937 /nfs/dbraw/zinc/67/99/37/664679937.db2.gz MCBYRLAIGLTUNH-UHFFFAOYSA-N 1 0 390.253 2.837 20 0 GFADRO [NH3+][C@@H]1CC[C@H](CNC(=O)Nc2cnn(-c3ccccc3Br)c2)C1 ZINC000926075337 664680871 /nfs/dbraw/zinc/68/08/71/664680871.db2.gz AWSMQZNMYFIXDP-NWDGAFQWSA-N 1 0 378.274 2.884 20 0 GFADRO COC(=O)c1cccc(NC(=O)N2CC[C@@]3(C2)CCCC[NH2+]3)c1Br ZINC000926104918 664681795 /nfs/dbraw/zinc/68/17/95/664681795.db2.gz SFESPMGDETUHTH-QGZVFWFLSA-N 1 0 396.285 2.986 20 0 GFADRO [NH3+]C1CCN(CCNC(=O)Nc2cc(F)c(Br)cc2Cl)CC1 ZINC000926108522 664681952 /nfs/dbraw/zinc/68/19/52/664681952.db2.gz BYBXIZMIDLOCAE-UHFFFAOYSA-N 1 0 393.688 2.786 20 0 GFADRO Cc1cnc(Br)c(NC(=O)N2CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C2)c1 ZINC000926123449 664682267 /nfs/dbraw/zinc/68/22/67/664682267.db2.gz OLAMYQDRXIXISQ-BDAKNGLRSA-N 1 0 381.196 2.896 20 0 GFADRO Cc1c(Br)nccc1NC(=O)N1CC[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000926128132 664682335 /nfs/dbraw/zinc/68/23/35/664682335.db2.gz XSJZJRPDPWBYAL-RKDXNWHRSA-N 1 0 381.196 2.896 20 0 GFADRO CC1(C)CN(C(=O)Nc2ccn(-c3ccc(Br)cc3)n2)C[C@@H]1[NH3+] ZINC000926124854 664682342 /nfs/dbraw/zinc/68/23/42/664682342.db2.gz GJXBWPIBNHHERB-ZDUSSCGKSA-N 1 0 378.274 2.836 20 0 GFADRO CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NC(=O)c1csc(C(F)(F)F)c1)C2 ZINC000926138755 664682817 /nfs/dbraw/zinc/68/28/17/664682817.db2.gz UTKRBDFCBVZXPD-ZNEHSRBWSA-N 1 0 376.444 2.976 20 0 GFADRO CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NC(=O)c1nc(Cl)sc1Cl)C2 ZINC000926146335 664682957 /nfs/dbraw/zinc/68/29/57/664682957.db2.gz FXQOKJKQCCTBGP-XBMUNGEKSA-N 1 0 378.325 2.659 20 0 GFADRO Cc1cccc(Br)c1C(=O)N[C@@H]1C[C@]2(C[N@@H+](C)[C@@H]2C(C)C)C[C@H]1O ZINC000926149540 664683030 /nfs/dbraw/zinc/68/30/30/664683030.db2.gz CHTVIJXPVVIJTK-FXRXJOCMSA-N 1 0 395.341 2.967 20 0 GFADRO C[NH2+]Cc1cccc(NC(=O)NCC2(n3cc(Br)cn3)CC2)c1 ZINC000926156828 664683232 /nfs/dbraw/zinc/68/32/32/664683232.db2.gz XKBHIPOTKVADAO-UHFFFAOYSA-N 1 0 378.274 2.676 20 0 GFADRO CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NC(=O)c1ccc(Cl)c(N)c1Cl)C2 ZINC000926152485 664683297 /nfs/dbraw/zinc/68/32/97/664683297.db2.gz BHJFRRQJKGSHID-MHRLRVJTSA-N 1 0 386.323 2.785 20 0 GFADRO CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)[C@@H]1SCCc3sccc31)C2 ZINC000926169480 664683615 /nfs/dbraw/zinc/68/36/15/664683615.db2.gz FMQIPYNNPAMMSP-QZIVSUOLSA-N 1 0 380.579 2.674 20 0 GFADRO CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NC(=O)c1ccc(Br)c(F)c1)C2 ZINC000926177330 664684124 /nfs/dbraw/zinc/68/41/24/664684124.db2.gz UXTSKFUVSGBFPC-YFHUEUNASA-N 1 0 399.304 2.798 20 0 GFADRO C[NH2+][C@@H]1CCN(C(=O)Nc2ccc(I)c(Cl)c2)C1 ZINC000926221038 664684915 /nfs/dbraw/zinc/68/49/15/664684915.db2.gz YOHYBXYYCFDQID-SECBINFHSA-N 1 0 379.629 2.770 20 0 GFADRO CCn1nc(C)c([C@@H](C)[NH2+]C[C@@H](CO)Cc2ccccc2Br)n1 ZINC000926285860 664686410 /nfs/dbraw/zinc/68/64/10/664686410.db2.gz WRMAVSQJXGOOIJ-OCCSQVGLSA-N 1 0 381.318 2.871 20 0 GFADRO CC(C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)N1CC[C@H](CC[NH3+])C1 ZINC000926315593 664687635 /nfs/dbraw/zinc/68/76/35/664687635.db2.gz ICYDEXIOLYLOIZ-ZDUSSCGKSA-N 1 0 386.323 2.928 20 0 GFADRO O=S1(=O)C[C@H](C[NH2+][C@@H]2CCCc3c(Cl)ccnc32)Oc2ccccc21 ZINC000926626069 664694189 /nfs/dbraw/zinc/69/41/89/664694189.db2.gz GOGGMTDVTWUNLW-SWLSCSKDSA-N 1 0 378.881 2.937 20 0 GFADRO Cc1cnn([C@H]2[C@H]([NH2+][C@H]3CCCc4ncc(Br)cc43)C[C@@H]2O)c1 ZINC000926712073 664695603 /nfs/dbraw/zinc/69/56/03/664695603.db2.gz RDLKVHPKJVGNAI-YVSFHVDLSA-N 1 0 377.286 2.691 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCO[C@H]1c1ccc(Cl)cc1)C1CCN(S(C)(=O)=O)CC1 ZINC000926780188 664696499 /nfs/dbraw/zinc/69/64/99/664696499.db2.gz WYHXZWMKERNISL-VHSSKADRSA-N 1 0 386.945 2.820 20 0 GFADRO Cc1nnc([C@H]2OCC[C@H]2C[NH2+][C@H](C)c2nc(Br)ccc2F)[nH]1 ZINC000926877163 664698217 /nfs/dbraw/zinc/69/82/17/664698217.db2.gz HMNNGIINENDONN-YACGNSKGSA-N 1 0 384.253 2.838 20 0 GFADRO COc1cc(Br)cc(C[NH2+][C@H](C)c2ccc(S(N)(=O)=O)cc2)c1 ZINC000926903930 664698896 /nfs/dbraw/zinc/69/88/96/664698896.db2.gz SEBHKUUAEBTHEV-LLVKDONJSA-N 1 0 399.310 2.956 20 0 GFADRO CC[C@H]([NH2+]C[C@@H]1C=C[C@H]2C[C@@H]1CO2)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000926937950 664699248 /nfs/dbraw/zinc/69/92/48/664699248.db2.gz ZUYMULJIYLTVNS-IVSAIRAKSA-N 1 0 384.929 2.880 20 0 GFADRO CN1CC[C@H]([NH2+]C[C@@H]2C[C@@H]3COC[C@@H]3O2)C[C@@H]1c1ccc(Br)cc1 ZINC000926940882 664699311 /nfs/dbraw/zinc/69/93/11/664699311.db2.gz ASVYTAMWUUUJBC-WRNCNIFXSA-N 1 0 395.341 2.978 20 0 GFADRO COCCC[C@@H]([NH2+]C[C@H](O)c1ccnn1C)c1ccc(Br)cc1 ZINC000927128756 664704957 /nfs/dbraw/zinc/70/49/57/664704957.db2.gz FGKOTYGUSKSTAC-WBVHZDCISA-N 1 0 382.302 2.974 20 0 GFADRO CSc1nc2ccc(N3C(=O)N[C@@H](C[NH+]4CCCCC4)C3=O)cc2s1 ZINC000927177599 664705380 /nfs/dbraw/zinc/70/53/80/664705380.db2.gz CNTLJWSVTGCHIN-ZDUSSCGKSA-N 1 0 376.507 2.929 20 0 GFADRO O=C1N[C@@H](C[NH+]2CCCCC2)C(=O)N1c1cc(-c2ccc(Cl)s2)on1 ZINC000927231884 664705957 /nfs/dbraw/zinc/70/59/57/664705957.db2.gz RMHSLDBWNHBIAD-JTQLQIEISA-N 1 0 380.857 2.967 20 0 GFADRO C[C@@H]1C[NH2+]C[C@H]1CNC(=O)C(=O)Nc1cc(Br)c2ccccc2c1 ZINC000927815478 664716326 /nfs/dbraw/zinc/71/63/26/664716326.db2.gz JYHOXFBQXSNCNU-YPMHNXCESA-N 1 0 390.281 2.513 20 0 GFADRO C[NH2+]CCN(C(=O)C(=O)Nc1ccc(SC)c(Br)c1)C(C)C ZINC000927864457 664716937 /nfs/dbraw/zinc/71/69/37/664716937.db2.gz CVOOQCSNJIJMMW-UHFFFAOYSA-N 1 0 388.331 2.566 20 0 GFADRO Cc1c(C(=O)N[C@H]2CC[N@H+](C)[C@H]2C)cnn1-c1ccc(Br)cc1 ZINC000928453913 664732781 /nfs/dbraw/zinc/73/27/81/664732781.db2.gz PFGYFSDATDBAAC-LRDDRELGSA-N 1 0 377.286 2.766 20 0 GFADRO C[NH+](C)CC[C@@H](NC(=O)[C@@H](O)c1cccc(Br)c1)c1cccnc1 ZINC000928828615 664740502 /nfs/dbraw/zinc/74/05/02/664740502.db2.gz SCVPYIMJXINNHG-SJORKVTESA-N 1 0 392.297 2.687 20 0 GFADRO C[N@@H+]1C[C@@H]2CN(C(=O)Nc3ccccc3I)C[C@]2(C)C1 ZINC000929135195 664746970 /nfs/dbraw/zinc/74/69/70/664746970.db2.gz NRLXNRJZGMIKJB-ABAIWWIYSA-N 1 0 385.249 2.707 20 0 GFADRO CC[NH+](CC)CCCNC(=O)C[C@@H]1C(=O)Nc2c1cccc2Br ZINC000929220063 664748541 /nfs/dbraw/zinc/74/85/41/664748541.db2.gz QLGTWEBJEFRQAL-ZDUSSCGKSA-N 1 0 382.302 2.723 20 0 GFADRO C[NH+](C)C(C)(C)CNC(=O)c1cnn(Cc2ccccc2)c1Br ZINC000929350067 664750867 /nfs/dbraw/zinc/75/08/67/664750867.db2.gz KWFOAVKOLUXZJX-UHFFFAOYSA-N 1 0 379.302 2.764 20 0 GFADRO C[NH+](C)CC(C)(C)CNC(=O)C[C@H]1C(=O)Nc2c1cccc2Br ZINC000929460186 664752689 /nfs/dbraw/zinc/75/26/89/664752689.db2.gz XOBVHVNOHIVFCI-GFCCVEGCSA-N 1 0 382.302 2.579 20 0 GFADRO O=C(Nc1cc(C(F)(F)F)c[nH]c1=O)N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000929902069 664759420 /nfs/dbraw/zinc/75/94/20/664759420.db2.gz QKSAPQSXCFDAAH-CMPLNLGQSA-N 1 0 376.404 2.507 20 0 GFADRO Cc1cc(CN2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)cnc1Br ZINC000930135516 664763171 /nfs/dbraw/zinc/76/31/71/664763171.db2.gz GFYSFEQLAUPRQZ-RDJZCZTQSA-N 1 0 381.362 2.610 20 0 GFADRO CC(C)[N@H+](C)CCCNC(=O)C[C@@H]1C(=O)Nc2c1cccc2Br ZINC000930183333 664764033 /nfs/dbraw/zinc/76/40/33/664764033.db2.gz CRLVHEQVJCJUGW-ZDUSSCGKSA-N 1 0 382.302 2.721 20 0 GFADRO CC[N@@H+]1CC[C@H](CNC(=O)[C@H](C)c2ccc(I)cc2)C1 ZINC000930368938 664768330 /nfs/dbraw/zinc/76/83/30/664768330.db2.gz XIBXNFKMDKSASW-CHWSQXEVSA-N 1 0 386.277 2.853 20 0 GFADRO C[C@H](C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(I)cc1 ZINC000930368770 664768460 /nfs/dbraw/zinc/76/84/60/664768460.db2.gz VGXYHIKGZLUIHS-STQMWFEESA-N 1 0 398.288 2.995 20 0 GFADRO C[C@]12CC[N@H+](C[C@H]3CCC4(COC4)O3)C[C@H]1C2(Br)Br ZINC000930926393 664781018 /nfs/dbraw/zinc/78/10/18/664781018.db2.gz UISJQLPDTOJOLP-UTUOFQBUSA-N 1 0 395.135 2.762 20 0 GFADRO CC(C)[N@@H+]1CC[C@H](CNC(=O)C[C@H]2C(=O)Nc3ccc(Br)cc32)C1 ZINC000930944949 664781653 /nfs/dbraw/zinc/78/16/53/664781653.db2.gz HGBRWWTVGBGRIP-IUODEOHRSA-N 1 0 394.313 2.721 20 0 GFADRO C[N@@H+]1CC[C@H]1CNC(=O)Nc1ccnn1Cc1cccc(Br)c1 ZINC000930950802 664781986 /nfs/dbraw/zinc/78/19/86/664781986.db2.gz UCRTXSZDWBKEQL-AWEZNQCLSA-N 1 0 378.274 2.520 20 0 GFADRO COc1cc(OC)c(NC(=O)N2CC[C@@H]3C[N@H+](C)C[C@@H]32)cc1Br ZINC000930976644 664782214 /nfs/dbraw/zinc/78/22/14/664782214.db2.gz SHYLWEDYPZIRFN-MFKMUULPSA-N 1 0 384.274 2.634 20 0 GFADRO C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)c1ncc(Br)cn1 ZINC000930982693 664782448 /nfs/dbraw/zinc/78/24/48/664782448.db2.gz JWDUQDOQAACTEC-UHFFFAOYSA-N 1 0 381.249 2.582 20 0 GFADRO COC(=O)c1ccc(Br)c(C[N@@H+]2CC[C@@H](CN3CCCC3=O)C2)c1 ZINC000931063535 664784391 /nfs/dbraw/zinc/78/43/91/664784391.db2.gz XWLKGHLACCVTBE-CYBMUJFWSA-N 1 0 395.297 2.680 20 0 GFADRO CN1CCN(C(=O)Nc2cc3c(cc2Br)CCC3)CC[N@H+](C)CC1 ZINC000931093098 664785597 /nfs/dbraw/zinc/78/55/97/664785597.db2.gz IOBAXLQOOLRXSQ-UHFFFAOYSA-N 1 0 395.345 2.649 20 0 GFADRO CC[N@@H+]1CCC[C@H](CNC(=O)C[C@@H]2C(=O)Nc3ccc(Br)cc32)C1 ZINC000931126318 664786466 /nfs/dbraw/zinc/78/64/66/664786466.db2.gz NWBQUBSNCHOAFF-DOMZBBRYSA-N 1 0 394.313 2.723 20 0 GFADRO CCOc1ccc(Br)c(C(=O)Nc2ccn(CC[NH+](C)C)n2)c1F ZINC000931198579 664788130 /nfs/dbraw/zinc/78/81/30/664788130.db2.gz ORVMGSFTZQXVQH-UHFFFAOYSA-N 1 0 399.264 2.997 20 0 GFADRO CC1([NH+]2CCCC2)CCC(NC(=O)C(=O)NCc2cscc2Cl)CC1 ZINC000931249797 664789265 /nfs/dbraw/zinc/78/92/65/664789265.db2.gz ZIDWFJKLOKSGNC-UHFFFAOYSA-N 1 0 383.945 2.931 20 0 GFADRO CN(Cc1ccc(Cl)s1)C(=O)CN1CCC([N@@H+]2CCCOCC2)CC1 ZINC000931292050 664790811 /nfs/dbraw/zinc/79/08/11/664790811.db2.gz GRBPTMQGSAKWPX-UHFFFAOYSA-N 1 0 385.961 2.547 20 0 GFADRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)c2cc(C=O)sc2Cl)CC1 ZINC000931301487 664790984 /nfs/dbraw/zinc/79/09/84/664790984.db2.gz VDMYKFDLBCJWCQ-KBPBESRZSA-N 1 0 383.945 2.845 20 0 GFADRO COc1c(C)[nH]cc(C[N@H+](C)C[C@H](O)c2ccc(Br)cc2)c1=O ZINC000931322560 664791607 /nfs/dbraw/zinc/79/16/07/664791607.db2.gz AZVJEAYDIBIQFS-HNNXBMFYSA-N 1 0 381.270 2.620 20 0 GFADRO COc1c(C)[nH]cc(C[N@H+](C)CCOc2ccccc2Br)c1=O ZINC000931325039 664791882 /nfs/dbraw/zinc/79/18/82/664791882.db2.gz PFUUFCCUKCAPMT-UHFFFAOYSA-N 1 0 381.270 2.965 20 0 GFADRO C[NH+]1CCC(CNC(=O)c2cnn(Cc3ccccc3)c2Br)CC1 ZINC000931431774 664794811 /nfs/dbraw/zinc/79/48/11/664794811.db2.gz NWQMLSPEJRTQIB-UHFFFAOYSA-N 1 0 391.313 2.766 20 0 GFADRO OCCCCC[NH+]1CCN(Cc2ncc(Br)cc2Cl)CC1 ZINC000931494949 664796376 /nfs/dbraw/zinc/79/63/76/664796376.db2.gz YBNFRPJZHPKGLP-UHFFFAOYSA-N 1 0 376.726 2.778 20 0 GFADRO Cc1c(Br)nccc1NC(=O)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000931548173 664798175 /nfs/dbraw/zinc/79/81/75/664798175.db2.gz GVVUNOMDRHNQBX-ZDUSSCGKSA-N 1 0 383.290 2.527 20 0 GFADRO CC[NH+]1CCC(N(C)C(=O)c2cc(Br)c3nccnc3c2)CC1 ZINC000931638350 664801157 /nfs/dbraw/zinc/80/11/57/664801157.db2.gz FCWQLJJUWZABDU-UHFFFAOYSA-N 1 0 377.286 2.949 20 0 GFADRO O[C@@H](C[NH2+]C1(c2cc(Cl)cc(Br)c2)CC1)C[C@@]1(O)CCOC1 ZINC000931697798 664803050 /nfs/dbraw/zinc/80/30/50/664803050.db2.gz NOLGTVZCBIYERU-CABCVRRESA-N 1 0 390.705 2.584 20 0 GFADRO CN(CC1CC[NH+](C)CC1)C(=O)C[C@H]1C(=O)Nc2c1cccc2Br ZINC000931962349 664807981 /nfs/dbraw/zinc/80/79/81/664807981.db2.gz WDDLNHNNQUUKQJ-CQSZACIVSA-N 1 0 394.313 2.675 20 0 GFADRO C[C@@]1([C@@H]2CCC[N@H+](C[C@H](O)c3ccc(Br)cc3)C2)COC(=O)N1 ZINC000932016657 664808982 /nfs/dbraw/zinc/80/89/82/664808982.db2.gz OEIHJLMDMWSYTC-KMFMINBZSA-N 1 0 383.286 2.693 20 0 GFADRO CC1(C)NC(=O)N(CCC[NH2+][C@@H]2CCOc3ccc(Br)cc32)C1=O ZINC000932211963 664813899 /nfs/dbraw/zinc/81/38/99/664813899.db2.gz JYPHLCNNVOABRY-CYBMUJFWSA-N 1 0 396.285 2.583 20 0 GFADRO O=C(c1cnn2cccc(Br)c12)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000932237414 664815578 /nfs/dbraw/zinc/81/55/78/664815578.db2.gz GDQZFADIWXKMGC-CYBMUJFWSA-N 1 0 377.286 2.797 20 0 GFADRO COC1CC[NH+](C(C)(C)CNC(=O)c2cnc(Br)c(C)c2)CC1 ZINC000932268061 664817664 /nfs/dbraw/zinc/81/76/64/664817664.db2.gz XGNRNIOYGFCGPF-UHFFFAOYSA-N 1 0 384.318 2.772 20 0 GFADRO C[N@@H+]1CCC[C@@H](CNC(=O)c2cnn(Cc3ccccc3)c2Br)C1 ZINC000932312941 664819460 /nfs/dbraw/zinc/81/94/60/664819460.db2.gz QOCJHHRVPLEMRR-HNNXBMFYSA-N 1 0 391.313 2.766 20 0 GFADRO CN(C(=O)c1cc(Br)c2nccnc2c1)[C@H]1C[NH+]2CCC1CC2 ZINC000932537616 664824857 /nfs/dbraw/zinc/82/48/57/664824857.db2.gz BDSJOKGCIFGXAJ-HNNXBMFYSA-N 1 0 375.270 2.559 20 0 GFADRO CN(C(=O)c1cc(Br)c2nccnc2c1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000932547110 664825140 /nfs/dbraw/zinc/82/51/40/664825140.db2.gz CLCMRSUFJHICNH-ZDUSSCGKSA-N 1 0 375.270 2.701 20 0 GFADRO CN(C(=O)c1cnnn1-c1cccc(Cl)c1Cl)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000932547091 664825204 /nfs/dbraw/zinc/82/52/04/664825204.db2.gz CDKBVRLXEAXMNT-LBPRGKRZSA-N 1 0 380.279 2.883 20 0 GFADRO CC[NH+]1CCN(CCNC(=O)c2cc3c(ccc(C)c3Br)[nH]2)CC1 ZINC000932700682 664832240 /nfs/dbraw/zinc/83/22/40/664832240.db2.gz CIFDJHRQAUUQSN-UHFFFAOYSA-N 1 0 393.329 2.606 20 0 GFADRO CCc1ccc(Br)cc1C(=O)NC[C@@H](C)N1CC[NH+](CC)CC1 ZINC000932703941 664832288 /nfs/dbraw/zinc/83/22/88/664832288.db2.gz QXPILLOSTWLNCO-CQSZACIVSA-N 1 0 382.346 2.767 20 0 GFADRO O=C1NC[C@@H](O)CC12CC[NH+](Cc1cc(Cl)ccc1Br)CC2 ZINC000932831690 664841324 /nfs/dbraw/zinc/84/13/24/664841324.db2.gz SRBITZJPMVVDGY-ZDUSSCGKSA-N 1 0 387.705 2.566 20 0 GFADRO O=C1NC[C@@H](O)CC12CC[NH+]([C@@H]1CCCc3ccc(Br)cc31)CC2 ZINC000932835575 664841393 /nfs/dbraw/zinc/84/13/93/664841393.db2.gz VYESMJDSYFYOFM-DOTOQJQBSA-N 1 0 393.325 2.790 20 0 GFADRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)c1cc2ccc(Br)cc2c(=O)o1 ZINC000932908228 664842689 /nfs/dbraw/zinc/84/26/89/664842689.db2.gz PFEJCASAQXXJHV-GFCCVEGCSA-N 1 0 393.281 2.969 20 0 GFADRO O=C(COC(F)(F)F)NC1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000933160119 664851214 /nfs/dbraw/zinc/85/12/14/664851214.db2.gz BYPWTNUIOZSEDM-UHFFFAOYSA-N 1 0 380.794 2.836 20 0 GFADRO COc1cc(Br)cc(C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)c1 ZINC000933165317 664851226 /nfs/dbraw/zinc/85/12/26/664851226.db2.gz PLESNYZWKSDGTM-ZDUSSCGKSA-N 1 0 397.313 2.688 20 0 GFADRO O=C(N1CCC[C@H]([NH+]2CCCC2)CC1)C1(n2cc(Br)cn2)CC1 ZINC000933264345 664853810 /nfs/dbraw/zinc/85/38/10/664853810.db2.gz ZCZXXJWDRUUPBA-HNNXBMFYSA-N 1 0 381.318 2.612 20 0 GFADRO COC1CC[NH+](CCNC(=O)Nc2c(F)ccc(Br)c2F)CC1 ZINC000933292592 664855300 /nfs/dbraw/zinc/85/53/00/664855300.db2.gz IHXVLIAMUKNZSF-UHFFFAOYSA-N 1 0 392.244 2.960 20 0 GFADRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1cc(Br)c2nccnc2c1 ZINC000933433287 664863577 /nfs/dbraw/zinc/86/35/77/664863577.db2.gz CYMVVTARYKTTPV-IAQYHMDHSA-N 1 0 377.286 2.805 20 0 GFADRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1cc2ccc(Br)cc2c(=O)o1 ZINC000933433499 664863828 /nfs/dbraw/zinc/86/38/28/664863828.db2.gz DPDPTUKKDSEUKC-IAQYHMDHSA-N 1 0 393.281 2.968 20 0 GFADRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1cc2ccc(Br)cc2c(=O)o1 ZINC000933433500 664863864 /nfs/dbraw/zinc/86/38/64/664863864.db2.gz DPDPTUKKDSEUKC-NHYWBVRUSA-N 1 0 393.281 2.968 20 0 GFADRO COCCN(CC[NH+](C)C)C(=O)Nc1ccnn1Cc1ccc(Cl)s1 ZINC000933926711 664881509 /nfs/dbraw/zinc/88/15/09/664881509.db2.gz WJNKOLSYUCADQH-UHFFFAOYSA-N 1 0 385.921 2.688 20 0 GFADRO C[C@@H]1CC[N@H+](CCNC(=O)c2cnn(Cc3ccccc3)c2Br)C1 ZINC000933928112 664881905 /nfs/dbraw/zinc/88/19/05/664881905.db2.gz ZIFNJPVOAUHJMT-CQSZACIVSA-N 1 0 391.313 2.766 20 0 GFADRO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)c2ccc3c(Br)cnn3c2)C1 ZINC000933945142 664882491 /nfs/dbraw/zinc/88/24/91/664882491.db2.gz RHCACQBMZKCLBX-CQSZACIVSA-N 1 0 391.313 2.901 20 0 GFADRO COCCOc1ccc(NC(=O)NC[C@H]2CCC[N@@H+]2C)cc1Br ZINC000933978010 664883373 /nfs/dbraw/zinc/88/33/73/664883373.db2.gz ITJGZSFIXMKTPC-CYBMUJFWSA-N 1 0 386.290 2.690 20 0 GFADRO O=[S@](CCN1CC[C@H]2[C@H]1CCC[N@H+]2CCO)c1cc(Cl)ccc1Cl ZINC000934260176 664895156 /nfs/dbraw/zinc/89/51/56/664895156.db2.gz MTIYOYHPGKITGZ-JRLRZGBRSA-N 1 0 391.364 2.632 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)C[C@H]2C(=O)Nc3ccc(Br)cc32)C[N@@H+]1C1CC1 ZINC000934397564 664905229 /nfs/dbraw/zinc/90/52/29/664905229.db2.gz PBRNBNOJKGMMFO-IXPVHAAZSA-N 1 0 392.297 2.616 20 0 GFADRO C[C@](CO)([NH2+]C[C@H]1CCC2(CCOCC2)O1)c1cccc(Br)c1 ZINC000934492775 664908285 /nfs/dbraw/zinc/90/82/85/664908285.db2.gz GIVHMOZPCMTCOD-IAGOWNOFSA-N 1 0 384.314 2.974 20 0 GFADRO C[C@](CO)([NH2+]C[C@H](O)CC1(CO)CCCC1)c1cccc(Br)c1 ZINC000934494976 664908694 /nfs/dbraw/zinc/90/86/94/664908694.db2.gz SYAYHVUDYCPBKW-IAGOWNOFSA-N 1 0 386.330 2.550 20 0 GFADRO CC(C)[NH+]1CCC(O)(CNC(=O)c2cnc(CCC(F)(F)F)s2)CC1 ZINC000934736028 664916170 /nfs/dbraw/zinc/91/61/70/664916170.db2.gz WGEYEDSGDIXIFJ-UHFFFAOYSA-N 1 0 379.448 2.603 20 0 GFADRO CN(C)[S@](C)(=O)=NCC1CC[NH+](C[C@@H](O)c2ccc(F)cc2Cl)CC1 ZINC000934751470 664918366 /nfs/dbraw/zinc/91/83/66/664918366.db2.gz JPOIGLXTCRTNCR-CRICUBBOSA-N 1 0 391.940 2.799 20 0 GFADRO CN(C)[S@@](C)(=O)=NCC1CC[NH+](C[C@H](O)Cc2cccc(Cl)c2)CC1 ZINC000934753789 664918879 /nfs/dbraw/zinc/91/88/79/664918879.db2.gz ZQZDZIIWHLKOQI-CJAUYULYSA-N 1 0 387.977 2.530 20 0 GFADRO COc1cc(Br)cc(C(=O)N2CC[C@@H](OCC[NH+]3CCCC3)C2)c1 ZINC000934782965 664921467 /nfs/dbraw/zinc/92/14/67/664921467.db2.gz AKDHCNPIWYYEEA-MRXNPFEDSA-N 1 0 397.313 2.785 20 0 GFADRO CN(C(=O)c1ncc(Br)cn1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000934786423 664921792 /nfs/dbraw/zinc/92/17/92/664921792.db2.gz ULVXWEMSAGXTFZ-HNNXBMFYSA-N 1 0 375.270 2.586 20 0 GFADRO Cc1cnccc1CC[NH2+][C@@H](CO)c1ccccc1I ZINC000934826839 664924686 /nfs/dbraw/zinc/92/46/86/664924686.db2.gz OMMQWNFFCMAMTF-INIZCTEOSA-N 1 0 382.245 2.860 20 0 GFADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3cnn4cccc(Br)c34)CC[C@H]21 ZINC000934890015 664928429 /nfs/dbraw/zinc/92/84/29/664928429.db2.gz LCDWEBAYOHYHQI-IUODEOHRSA-N 1 0 377.286 2.653 20 0 GFADRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccc3c(Br)cnn3c2)C1 ZINC000934952546 664931707 /nfs/dbraw/zinc/93/17/07/664931707.db2.gz UANQGGNYQTVWEJ-SWLSCSKDSA-N 1 0 377.286 2.653 20 0 GFADRO C[NH+]1CCC(C)(CNC(=O)C[C@@H]2C(=O)Nc3ccc(Br)cc32)CC1 ZINC000935294831 664951377 /nfs/dbraw/zinc/95/13/77/664951377.db2.gz DYRPNHQGMOUXEB-AWEZNQCLSA-N 1 0 394.313 2.723 20 0 GFADRO CS[C@H]1CN(C(=O)c2ccc(NC(C)=O)c(Cl)c2)C[C@@H]1[NH+]1CCCC1 ZINC000935367062 664956613 /nfs/dbraw/zinc/95/66/13/664956613.db2.gz JKYOCZFXDIWVHZ-IRXDYDNUSA-N 1 0 381.929 2.950 20 0 GFADRO CC1=CC[N@H+](CCNC(=O)C[C@H]2C(=O)Nc3c2cccc3Br)CC1 ZINC000935398308 664958939 /nfs/dbraw/zinc/95/89/39/664958939.db2.gz GQGHCSOGYLUNRI-CQSZACIVSA-N 1 0 392.297 2.643 20 0 GFADRO O=C(NCC1CC[NH+](C2CC2)CC1)c1cc(Br)c2nccnc2c1 ZINC000935680787 664980800 /nfs/dbraw/zinc/98/08/00/664980800.db2.gz OKIAOAHJDDTINC-UHFFFAOYSA-N 1 0 389.297 2.997 20 0 GFADRO COc1c[nH+]ccc1N1CCN(C(=O)c2cc(C)c(Br)o2)CC1 ZINC000935768233 664987549 /nfs/dbraw/zinc/98/75/49/664987549.db2.gz UGINVDVJNJLNFK-UHFFFAOYSA-N 1 0 380.242 2.717 20 0 GFADRO COc1ccc([C@@H](C[NH+](C)C)NC(=O)c2c(C)[nH]nc2Br)cc1 ZINC000935889073 664995740 /nfs/dbraw/zinc/99/57/40/664995740.db2.gz YGZZOCHMMYNWCT-CYBMUJFWSA-N 1 0 381.274 2.522 20 0 GFADRO COc1cc(Br)cc(C(=O)N2CCC([N@@H+]3CCOC[C@@H]3C)CC2)c1 ZINC000936064722 665006858 /nfs/dbraw/zinc/00/68/58/665006858.db2.gz VZTTXSYADONKAV-ZDUSSCGKSA-N 1 0 397.313 2.783 20 0 GFADRO O=C([C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)N1CC[C@@H]([NH2+]Cc2sccc2Br)C1 ZINC000969407710 665014977 /nfs/dbraw/zinc/01/49/77/665014977.db2.gz RTJCYNJWUQMPDY-VOZZTLDKSA-N 1 0 397.338 2.625 20 0 GFADRO CC[C@@H]1[C@@H](NC(=O)c2cc(Cl)cs2)CCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000984869281 665019011 /nfs/dbraw/zinc/01/90/11/665019011.db2.gz POKHPQLCZMVBDX-REBRKWNGSA-N 1 0 383.945 2.851 20 0 GFADRO Cc1csc(C(=O)N2CC[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)[C@H]2C)c1Cl ZINC000988321840 665020573 /nfs/dbraw/zinc/02/05/73/665020573.db2.gz HFGCTLXSHRWSMS-SYQHCUMBSA-N 1 0 383.945 2.769 20 0 GFADRO C[C@@H]1[C@H](C(=O)NC[C@@H]2CN(C(=O)c3cc(Cl)cs3)C[C@H]2C)CC[N@@H+]1C ZINC000994085742 665022721 /nfs/dbraw/zinc/02/27/21/665022721.db2.gz QUGBBEPIGORFIK-RGCMKSIDSA-N 1 0 383.945 2.566 20 0 GFADRO Cc1csc(Cl)c1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C[NH+]1CCCC1 ZINC000999034048 665042213 /nfs/dbraw/zinc/04/22/13/665042213.db2.gz XFSSHLOGJIHPCF-RDBSUJKOSA-N 1 0 381.929 2.667 20 0 GFADRO C[C@@H]1CC[N@H+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)c2cc(Cl)cs2)C1 ZINC001000487165 665046871 /nfs/dbraw/zinc/04/68/71/665046871.db2.gz WVZXDAZFRGDDRH-RZFFKMDDSA-N 1 0 381.929 2.605 20 0 GFADRO C[C@H]1CC[N@H+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)c2sccc2Cl)C1 ZINC001000473159 665046926 /nfs/dbraw/zinc/04/69/26/665046926.db2.gz AJTLVADLWYAWAE-NEBZKDRISA-N 1 0 381.929 2.605 20 0 GFADRO Cc1csc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C[NH+]2CCCC2)c1Cl ZINC001002964926 665058254 /nfs/dbraw/zinc/05/82/54/665058254.db2.gz QSEBQJHSWVQVCQ-MCIONIFRSA-N 1 0 381.929 2.667 20 0 GFADRO C[C@@H]1CC[N@H+](CC(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2sccc2Cl)C3)C1 ZINC001003327603 665059643 /nfs/dbraw/zinc/05/96/43/665059643.db2.gz VMGDRIOLEDJBAA-GBOPCIDUSA-N 1 0 381.929 2.605 20 0 GFADRO O=C(N[C@H]1C[C@H]([NH2+]Cc2ccc(Br)cc2)C1)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001020406098 665073019 /nfs/dbraw/zinc/07/30/19/665073019.db2.gz KHJRHFWOPGXJTM-DJKVBGFSSA-N 1 0 391.309 2.609 20 0 GFADRO CCOC(=O)N1CCC([NH2+]C[C@@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000392240290 677409781 /nfs/dbraw/zinc/40/97/81/677409781.db2.gz JNTNKDBDHYFWOK-CQSZACIVSA-N 1 0 391.295 2.944 20 0 GFADRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NS(=O)(=O)c1cccnc1Cl ZINC000398162078 677412278 /nfs/dbraw/zinc/41/22/78/677412278.db2.gz QWXCDJMTCCVOIR-ZBFHGGJFSA-N 1 0 379.913 2.924 20 0 GFADRO COc1cc(Br)ccc1[C@@H](C)[NH2+][C@@H]1CCN(C2CCOCC2)C1=O ZINC000469332146 677413193 /nfs/dbraw/zinc/41/31/93/677413193.db2.gz KNHNWUIPHAXNHQ-MLGOLLRUSA-N 1 0 397.313 2.888 20 0 GFADRO CC(C)C[C@H](NC(=O)Nc1nc2ccsc2s1)C(=O)NCC[NH+](C)C ZINC000535447280 677673285 /nfs/dbraw/zinc/67/32/85/677673285.db2.gz QWOYYOFXZZMUQN-LBPRGKRZSA-N 1 0 383.543 2.572 20 0 GFADRO CN(C[C@H](O)C[N@H+](Cc1cccc(Br)c1)C1CCOCC1)C1CC1 ZINC000578922143 677673322 /nfs/dbraw/zinc/67/33/22/677673322.db2.gz OSBWJYWWVBGTCD-IBGZPJMESA-N 1 0 397.357 2.885 20 0 GFADRO CCCC[N@H+](C)C[C@H](C)NC(=O)C(=O)Nc1ccc(Br)c(C)c1 ZINC000580241161 677673903 /nfs/dbraw/zinc/67/39/03/677673903.db2.gz INQYALQRDLMUII-ZDUSSCGKSA-N 1 0 384.318 2.933 20 0 GFADRO O=C(NC[C@@H]1C[NH2+]CCO1)c1ccc(Oc2cccc(Cl)c2Cl)nc1 ZINC000580310702 677674160 /nfs/dbraw/zinc/67/41/60/677674160.db2.gz CMJDOMBTBUUUMI-LBPRGKRZSA-N 1 0 382.247 2.899 20 0 GFADRO Clc1ncc(N2CCN3CC[NH2+]C[C@@H]3C2)c(Oc2ccccc2Cl)n1 ZINC001164400178 718843435 /nfs/dbraw/zinc/84/34/35/718843435.db2.gz RTQQYSARBUMROG-GFCCVEGCSA-N 1 0 380.279 2.670 20 0 GFADRO FC(F)(c1ccnc(Cl)c1Cl)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001164415600 718884963 /nfs/dbraw/zinc/88/49/63/718884963.db2.gz MCVLFYLBXOBTKN-UHFFFAOYSA-N 1 0 389.237 2.624 20 0 GFADRO FC(F)(c1cc(Cl)cnc1Cl)N1CCCO[C@@]2(C[NH2+]CCOC2)C1 ZINC001164421116 718912908 /nfs/dbraw/zinc/91/29/08/718912908.db2.gz PADFZMLKTBMNHC-AWEZNQCLSA-N 1 0 382.238 2.519 20 0 GFADRO CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@H]2N1C(F)(F)c1cnc(Cl)cc1Cl ZINC001164618815 719012808 /nfs/dbraw/zinc/01/28/08/719012808.db2.gz TWWHUKVPGBISDW-JFUSQASVSA-N 1 0 380.222 2.663 20 0 GFADRO CCOC(=O)C1CC[NH+](C2CCN(c3cncc(OCC(C)C)n3)CC2)CC1 ZINC001164618527 719032872 /nfs/dbraw/zinc/03/28/72/719032872.db2.gz UIXMHERAWUQZFB-UHFFFAOYSA-N 1 0 390.528 2.755 20 0 GFADRO CCOC(=O)C1CC[NH+](C2CCN(c3nccnc3OCC(C)C)CC2)CC1 ZINC001164617630 719033765 /nfs/dbraw/zinc/03/37/65/719033765.db2.gz OGOHUYGYLXDEMI-UHFFFAOYSA-N 1 0 390.528 2.755 20 0 GFADRO NC(=O)c1cc(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)nc(C2CC2)n1 ZINC001164622581 719113736 /nfs/dbraw/zinc/11/37/36/719113736.db2.gz CDHOGGGNFOUBGT-IEBWSBKVSA-N 1 0 377.492 2.554 20 0 GFADRO CCNC(=O)c1cc(Cl)nc(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)n1 ZINC001164625157 719114367 /nfs/dbraw/zinc/11/43/67/719114367.db2.gz GWXHJRPIFDXJDB-SJLPKXTDSA-N 1 0 399.926 2.981 20 0 GFADRO [NH3+]C1([C@H]2CN(C(F)(F)c3nc(Cl)cc(N4CCCC4)n3)C[C@H]2CF)CC1 ZINC001164630401 719116230 /nfs/dbraw/zinc/11/62/30/719116230.db2.gz VZWCSVYVNQVTPS-NEPJUHHUSA-N 1 0 389.853 2.788 20 0 GFADRO COC(=O)c1cc(Cl)ncc1C(F)(F)N1C[C@H](CF)[C@H](C2([NH3+])CC2)C1 ZINC001164625120 719118009 /nfs/dbraw/zinc/11/80/09/719118009.db2.gz GQCAZTUQZZBUNZ-JOYOIKCWSA-N 1 0 377.794 2.580 20 0 GFADRO COC(=O)c1cc(C(F)(F)N2C[C@H](CF)[C@H](C3([NH3+])CC3)C2)cnc1Cl ZINC001164629333 719118266 /nfs/dbraw/zinc/11/82/66/719118266.db2.gz RYJJHIXSVDYQMS-JOYOIKCWSA-N 1 0 377.794 2.580 20 0 GFADRO [NH3+]C1([C@H]2CN(C(F)(F)COC(=O)Nc3cccnc3Cl)C[C@@H]2CF)CC1 ZINC001164619123 719124228 /nfs/dbraw/zinc/12/42/28/719124228.db2.gz CEAAYMGIYAUCDE-QWRGUYRKSA-N 1 0 392.809 2.885 20 0 GFADRO [NH3+]C1([C@@H]2CN(C(F)(F)COC(=O)Nc3ccc(Cl)nc3)C[C@H]2CF)CC1 ZINC001164624749 719125667 /nfs/dbraw/zinc/12/56/67/719125667.db2.gz VYHMSAOTBNUSFD-ZYHUDNBSSA-N 1 0 392.809 2.885 20 0 GFADRO COC(=O)/C=C/c1ccc(NC(=O)C(C)(C)C)c(N2C[C@H](C)[N@H+](C)C[C@@H]2C)n1 ZINC001164641746 719223176 /nfs/dbraw/zinc/22/31/76/719223176.db2.gz UYJFMLOTNPRYMT-WWUQSUGHSA-N 1 0 388.512 2.781 20 0 GFADRO C[N@@H+]1CCO[C@H]2CN(c3nc(-c4cccnc4)nc4sc5c(c43)CCC5)C[C@@H]21 ZINC000153173938 719443204 /nfs/dbraw/zinc/44/32/04/719443204.db2.gz QPYPJXTWPHTTPM-HOTGVXAUSA-N 1 0 393.516 2.761 20 0 GFADRO CC(C)N(C)Cc1nn(-c2cc(-c3nc(C4CC4)no3)ccn2)c2c1CC[NH2+]C2 ZINC001164680609 719648313 /nfs/dbraw/zinc/64/83/13/719648313.db2.gz YFWQTNXYMSWIOV-UHFFFAOYSA-N 1 0 393.495 2.681 20 0 GFADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1ncccc1OCc1ccccc1)CC2 ZINC001164690301 719739088 /nfs/dbraw/zinc/73/90/88/719739088.db2.gz YXDKBOGIICVNNT-UHFFFAOYSA-N 1 0 394.519 2.841 20 0 GFADRO Cn1cc([C@@H]2COC3(C2)CCN(c2ccc(C[NH+]4CCCC4)cn2)CC3)cn1 ZINC001164695864 719826212 /nfs/dbraw/zinc/82/62/12/719826212.db2.gz GGHKWAPZWPGFDX-IBGZPJMESA-N 1 0 381.524 2.954 20 0 GFADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cccc(OC)n1)CC2 ZINC001164711644 720103376 /nfs/dbraw/zinc/10/33/76/720103376.db2.gz RWADEYVFPOXLSU-LJQANCHMSA-N 1 0 382.508 2.993 20 0 GFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nccc3c1C(=O)OC3(C)C)C2 ZINC001164816491 720104317 /nfs/dbraw/zinc/10/43/17/720104317.db2.gz ZFGVXGVXNFDIMW-OPAMFIHVSA-N 1 0 385.508 2.672 20 0 GFADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(C)cc(OC)n1)CC2 ZINC001164718010 720115504 /nfs/dbraw/zinc/11/55/04/720115504.db2.gz QBCNFOJZXJBMHX-IBGZPJMESA-N 1 0 397.523 2.696 20 0 GFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cncc(N3CCCCC3)n1)C2 ZINC001164816513 720146241 /nfs/dbraw/zinc/14/62/41/720146241.db2.gz ZTRIIDLBSPKIBK-DENIHFKCSA-N 1 0 385.556 2.652 20 0 GFADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2nncc3ccccc32)CC1 ZINC001164827883 720306284 /nfs/dbraw/zinc/30/62/84/720306284.db2.gz YKKHESSRQXRVRB-PMACEKPBSA-N 1 0 379.508 2.541 20 0 GFADRO Cc1nc(C)c(N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c(Cl)n1 ZINC001164818946 720312373 /nfs/dbraw/zinc/31/23/73/720312373.db2.gz BWPGQFVMWQHNBW-IRXDYDNUSA-N 1 0 391.947 2.658 20 0 GFADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2ccc3cccnc3n2)CC1 ZINC001164821647 720314144 /nfs/dbraw/zinc/31/41/44/720314144.db2.gz LSNYLDMRYQGYNN-RBUKOAKNSA-N 1 0 379.508 2.541 20 0 GFADRO CC(C)Oc1cccc(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164832892 720323622 /nfs/dbraw/zinc/32/36/22/720323622.db2.gz URPZMMNPXDIALG-RBUKOAKNSA-N 1 0 386.540 2.780 20 0 GFADRO CCCc1cc(N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc(C)n1 ZINC001164833024 720327967 /nfs/dbraw/zinc/32/79/67/720327967.db2.gz VVSYZGPZYWHEBS-WOJBJXKFSA-N 1 0 385.556 2.649 20 0 GFADRO CCOC(=O)c1cnc(N2CC[C@@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)c(OC)c1 ZINC001164724286 720403275 /nfs/dbraw/zinc/40/32/75/720403275.db2.gz IYWJFIMZRDAVEI-MSOLQXFVSA-N 1 0 382.464 2.515 20 0 GFADRO CC(C)[N@H+]1[C@@H]2CCN(c3nccc(N4CCCC4)n3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164841161 720504688 /nfs/dbraw/zinc/50/46/88/720504688.db2.gz XSPULMHVWUQOIJ-HSALFYBXSA-N 1 0 395.555 2.651 20 0 GFADRO C[NH+](C)C[C@H]1Cn2ccnc2CN(C(F)(F)COc2cccc(Cl)n2)C1 ZINC001164726191 720518841 /nfs/dbraw/zinc/51/88/41/720518841.db2.gz BHRARDYDSYYAME-ZDUSSCGKSA-N 1 0 385.846 2.597 20 0 GFADRO Cc1nc(-c2ccccn2)nc(N2Cc3nccn3C[C@H](C[NH+](C)C)C2)c1C ZINC001164735231 720528850 /nfs/dbraw/zinc/52/88/50/720528850.db2.gz WSNWAEWAAOXOTN-KRWDZBQOSA-N 1 0 377.496 2.550 20 0 GFADRO CC(C)[N@H+]1[C@@H]2CCN(c3cccc(Cl)[n+]3[O-])C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164835459 720531024 /nfs/dbraw/zinc/53/10/24/720531024.db2.gz HJNIRCSACUQUEX-YESZJQIVSA-N 1 0 375.904 2.548 20 0 GFADRO CC(C)[N@H+]1[C@@H]2CCN(c3c(F)nc(F)nc3Cl)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164841496 720593242 /nfs/dbraw/zinc/59/32/42/720593242.db2.gz SIQLQIHZMLGTIW-MELADBBJSA-N 1 0 396.873 2.983 20 0 GFADRO Cc1noc2ncnc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cccn5)[N@H+]4C(C)C)C3)c12 ZINC001164842192 720627623 /nfs/dbraw/zinc/62/76/23/720627623.db2.gz UIRNPAXLSANPAI-IXDOHACOSA-N 1 0 381.484 2.501 20 0 GFADRO CC(C)[N@H+]1[C@@H]2CCN(c3ncc4c(n3)CCCC4)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164843534 720631213 /nfs/dbraw/zinc/63/12/13/720631213.db2.gz XUWYCEZRZOQDAC-SVFBPWRDSA-N 1 0 380.540 2.930 20 0 GFADRO COc1ncc(Cl)c(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)n1 ZINC001164841086 720634418 /nfs/dbraw/zinc/63/44/18/720634418.db2.gz RARDWMOUHJQZNS-BFYDXBDKSA-N 1 0 390.919 2.713 20 0 GFADRO FC(F)(c1cncc(Cl)n1)N1CCCn2cnc(C[NH2+]C3CCC3)c2C1 ZINC001164836349 720738874 /nfs/dbraw/zinc/73/88/74/720738874.db2.gz DQAOIDQCWNAWSZ-UHFFFAOYSA-N 1 0 382.846 2.924 20 0 GFADRO Cc1c(Cl)nc(C(C)C)nc1N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001164748939 720800800 /nfs/dbraw/zinc/80/08/00/720800800.db2.gz SARJPQJJASJIGE-GJZGRUSLSA-N 1 0 388.903 2.694 20 0 GFADRO CC(C)c1cncnc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164743840 720828564 /nfs/dbraw/zinc/82/85/64/720828564.db2.gz SUNBFPKJJAGFJS-NLWGTHIKSA-N 1 0 381.528 2.571 20 0 GFADRO CC(C)c1nccc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164746932 720831898 /nfs/dbraw/zinc/83/18/98/720831898.db2.gz ZQYONBDYEIWGMF-GBESFXJTSA-N 1 0 381.528 2.571 20 0 GFADRO COCC[N@@H+]1CCO[C@H]2CN(C(F)(F)c3ccc(F)c(Cl)n3)CC[C@H]2C1 ZINC001164850275 720838755 /nfs/dbraw/zinc/83/87/55/720838755.db2.gz FCICQKYEODCKMT-JSGCOSHPSA-N 1 0 393.837 2.593 20 0 GFADRO c1ncn(C[C@@H]2C[C@@H]3CN(c4cccc(C5CC5)n4)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164748936 720858127 /nfs/dbraw/zinc/85/81/27/720858127.db2.gz MYHHWRDGDICOJP-SVFBPWRDSA-N 1 0 378.524 2.930 20 0 GFADRO COCC[N@@H+]1CCO[C@@H]2CN(c3nc(C)nc4c5ccccc5oc43)CC[C@H]2C1 ZINC001164856048 720864276 /nfs/dbraw/zinc/86/42/76/720864276.db2.gz NZNAJLGNQTTZON-QFBILLFUSA-N 1 0 396.491 2.858 20 0 GFADRO COCC[N@@H+]1CCO[C@H]2CN(c3ncccc3OCc3ccccc3)CC[C@H]2C1 ZINC001164860053 720874106 /nfs/dbraw/zinc/87/41/06/720874106.db2.gz NZZUMWVUCPPKEJ-UNMCSNQZSA-N 1 0 397.519 2.834 20 0 GFADRO Cc1ccnnc1N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164755736 720880174 /nfs/dbraw/zinc/88/01/74/720880174.db2.gz YMIYOEJVDSDLPD-FYYLOGMGSA-N 1 0 393.535 2.935 20 0 GFADRO CCOC(=O)c1cc(C)nc(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@H]2C)n1 ZINC001164857001 720944900 /nfs/dbraw/zinc/94/49/00/720944900.db2.gz DXDXCTNNZJFLRG-OAHLLOKOSA-N 1 0 386.500 2.580 20 0 GFADRO COC(=O)c1cc(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@H]2C)ncc1F ZINC001164858587 720946895 /nfs/dbraw/zinc/94/68/95/720946895.db2.gz JJZHMWXJYBFNKR-CYBMUJFWSA-N 1 0 375.448 2.625 20 0 GFADRO C[NH+](C)CCNC(=O)c1noc2c1CN(c1ccc3c(Cl)cccc3n1)CC2 ZINC001164749535 720954055 /nfs/dbraw/zinc/95/40/55/720954055.db2.gz FNHLTOIYUGKUDR-UHFFFAOYSA-N 1 0 399.882 2.730 20 0 GFADRO Cc1nc(N2CCc3onc(C(=O)NCC[NH+](C)C)c3C2)c(Cl)cc1Cl ZINC001164750937 720961762 /nfs/dbraw/zinc/96/17/62/720961762.db2.gz MWKBYRFYGKYWRI-UHFFFAOYSA-N 1 0 398.294 2.539 20 0 GFADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1ccc(C(=O)NC3CC3)cn1)[C@@H]2C ZINC001164857144 720969855 /nfs/dbraw/zinc/96/98/55/720969855.db2.gz CLDPJDYUAYMGHY-OAHLLOKOSA-N 1 0 382.512 2.592 20 0 GFADRO c1ncn2c1CN(c1ncccc1C[NH+]1CCCC1)C[C@@H](COCC1CC1)C2 ZINC001164756460 720982612 /nfs/dbraw/zinc/98/26/12/720982612.db2.gz IMYAGXOYUYRBAA-LJQANCHMSA-N 1 0 381.524 2.937 20 0 GFADRO Cc1cn(-c2ccc(N3CCn4c(C[N@@H+](C)C(C)C)cnc4[C@@H]3C)nn2)cn1 ZINC001164863569 720983331 /nfs/dbraw/zinc/98/33/31/720983331.db2.gz WNEOSKJQOHWLNF-INIZCTEOSA-N 1 0 380.500 2.589 20 0 GFADRO Cc1cccc(CN2C(=O)C[C@H]3[C@@H]2CCN3c2ccc(C[NH+]3CCCC3)cn2)n1 ZINC001164771709 721054392 /nfs/dbraw/zinc/05/43/92/721054392.db2.gz NOMAQFQORUKQDW-SFTDATJTSA-N 1 0 391.519 2.761 20 0 GFADRO CSc1nc(Cl)cc(N2C[C@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)n1 ZINC001164770207 721075514 /nfs/dbraw/zinc/07/55/14/721075514.db2.gz PDJJHLLEOYIYEF-ZIAGYGMSSA-N 1 0 378.933 2.544 20 0 GFADRO Cc1cccc2ncc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)nc12 ZINC001164866012 721078748 /nfs/dbraw/zinc/07/87/48/721078748.db2.gz RELIXVZEDLKHQQ-RBUKOAKNSA-N 1 0 375.476 2.813 20 0 GFADRO Cc1nc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)nc2ccccc12 ZINC001164862807 721079397 /nfs/dbraw/zinc/07/93/97/721079397.db2.gz ASIIVKHQNNAVGE-MOPGFXCFSA-N 1 0 375.476 2.813 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4nnc(Cl)c5ccccc54)C[C@@H]3C2)cn1 ZINC001164765324 721085378 /nfs/dbraw/zinc/08/53/78/721085378.db2.gz IYTPONSRAFLKMS-HOTGVXAUSA-N 1 0 382.899 2.975 20 0 GFADRO Cc1sc2ncnc(N3C[C@@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@@H]4C3)c2c1C ZINC001164764338 721086325 /nfs/dbraw/zinc/08/63/25/721086325.db2.gz HGPIGWOUJCOZSR-DLBZAZTESA-N 1 0 382.537 3.000 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4nc(Cl)nc5c4CSC5)C[C@H]3C2)cn1 ZINC001164765773 721103137 /nfs/dbraw/zinc/10/31/37/721103137.db2.gz KJRATRQLDYBHHN-UONOGXRCSA-N 1 0 390.944 2.569 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4cnc5ccc(Cl)cc5n4)C[C@H]3C2)cn1 ZINC001164768151 721118128 /nfs/dbraw/zinc/11/81/28/721118128.db2.gz NLPLNOUFPJPKAW-HZPDHXFCSA-N 1 0 382.899 2.975 20 0 GFADRO CC(C)n1ccc2c1ncnc2N1C[C@@H]2CC[N@H+](Cc3cnn(C)c3)C[C@@H]2C1 ZINC001164773893 721183772 /nfs/dbraw/zinc/18/37/72/721183772.db2.gz XXPVLMVXNIQODL-ZWKOTPCHSA-N 1 0 379.512 2.704 20 0 GFADRO COC(=O)c1ccc2nc(Cl)c(N3CC4(C3)CC[N@H+](CC3CC3)C4)nc2c1 ZINC001164770659 721280844 /nfs/dbraw/zinc/28/08/44/721280844.db2.gz WJWCMKGOHUAZSK-UHFFFAOYSA-N 1 0 386.883 2.992 20 0 GFADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN([C@@H](F)c4ccnc(Cl)c4)C3)O2)CC1 ZINC001164884598 721410575 /nfs/dbraw/zinc/41/05/75/721410575.db2.gz FCNZFSXLTYOBDN-DFQSSKMNSA-N 1 0 396.938 2.964 20 0 GFADRO COc1ccc(Cl)nc1N1CC[C@@]2(C1)CCC[C@@H](C[NH+]1CCN(C)CC1)O2 ZINC001164888335 721417595 /nfs/dbraw/zinc/41/75/95/721417595.db2.gz OHTJVXWTUQMFBK-OXJNMPFZSA-N 1 0 394.947 2.509 20 0 GFADRO CC(C)Oc1cccc(N2CC[C@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)n1 ZINC001164885193 721417976 /nfs/dbraw/zinc/41/79/76/721417976.db2.gz GEKRQIUJLSMDDH-UGKGYDQZSA-N 1 0 388.556 2.634 20 0 GFADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4cc(C(C)(C)C)ncn4)C3)O2)CC1 ZINC001164894434 721433835 /nfs/dbraw/zinc/43/38/35/721433835.db2.gz MPTWPYGKSSNAGN-PGRDOPGGSA-N 1 0 387.572 2.540 20 0 GFADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncc(C)cc1N)CC2 ZINC001164789845 721464158 /nfs/dbraw/zinc/46/41/58/721464158.db2.gz XRIFBVRNMIMNQD-IBGZPJMESA-N 1 0 388.556 2.706 20 0 GFADRO Cc1c[nH]c2ncnc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@H]4OCCC[C@@H]43)c12 ZINC001164794403 721523942 /nfs/dbraw/zinc/52/39/42/721523942.db2.gz CVQBVANBSKPOHM-LNLFQRSKSA-N 1 0 378.480 2.530 20 0 GFADRO COc1c(Cl)nc(C)nc1N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164911261 721534197 /nfs/dbraw/zinc/53/41/97/721534197.db2.gz VWKPIWRQZHTNGO-GDBMZVCRSA-N 1 0 392.862 2.928 20 0 GFADRO CCOC(=O)Cc1ccc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)nc1 ZINC001164905267 721535053 /nfs/dbraw/zinc/53/50/53/721535053.db2.gz HZOKOEWJWFYLEL-UYAOXDASSA-N 1 0 399.466 2.668 20 0 GFADRO COC(=O)c1cc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)ncc1C ZINC001164905874 721540954 /nfs/dbraw/zinc/54/09/54/721540954.db2.gz JLDUBFLZYMMVET-FUHWJXTLSA-N 1 0 385.439 2.658 20 0 GFADRO CCCNC(=O)c1ccc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)nc1 ZINC001164906445 721555413 /nfs/dbraw/zinc/55/54/13/721555413.db2.gz JDVBKSDFCWHVCT-UYAOXDASSA-N 1 0 398.482 2.702 20 0 GFADRO COc1cc(C)nc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)n1 ZINC001164905567 721701721 /nfs/dbraw/zinc/70/17/21/721701721.db2.gz JXZUJEGACRBNHL-LJQANCHMSA-N 1 0 389.450 2.926 20 0 GFADRO CCOC(=O)c1ccc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)nn1 ZINC001165022246 721804827 /nfs/dbraw/zinc/80/48/27/721804827.db2.gz IJAXAUFJQVLTON-QRFRQXIXSA-N 1 0 395.507 2.785 20 0 GFADRO COc1cc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)nc(OC)n1 ZINC001165025080 721806155 /nfs/dbraw/zinc/80/61/55/721806155.db2.gz NMQPVDQANDPEKR-CGTJXYLNSA-N 1 0 383.496 2.626 20 0 GFADRO C[C@@H]1C(=O)Nc2ncnc(N3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)c21 ZINC001165025305 721815242 /nfs/dbraw/zinc/81/52/42/721815242.db2.gz MFRDWTXVIQTUHP-UOVPBQLFSA-N 1 0 392.507 2.664 20 0 GFADRO CNC(=O)c1ccnc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001165024170 721818973 /nfs/dbraw/zinc/81/89/73/721818973.db2.gz JLNRWMQMINAWJZ-DFQSSKMNSA-N 1 0 379.508 2.573 20 0 GFADRO COCCOc1ccc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)nn1 ZINC001165027870 721825222 /nfs/dbraw/zinc/82/52/22/721825222.db2.gz UORZHMHFISZRPD-SXLOBPIMSA-N 1 0 397.523 2.634 20 0 GFADRO C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2c1cc(Cl)nc(Cc2ccccc2)n1 ZINC001164924524 721859298 /nfs/dbraw/zinc/85/92/98/721859298.db2.gz CIGKQWGRNIUILC-QZTJIDSGSA-N 1 0 385.943 2.935 20 0 GFADRO C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2c1nccc(SCc2ccccc2)n1 ZINC001164934360 721886046 /nfs/dbraw/zinc/88/60/46/721886046.db2.gz QRTMAOUBCXWFMQ-RTBURBONSA-N 1 0 383.565 2.984 20 0 GFADRO CCOC(=O)c1cnc(Cl)nc1C(F)(F)N1CCC(C[NH+](C)C)CC1 ZINC001165042319 721942688 /nfs/dbraw/zinc/94/26/88/721942688.db2.gz NJICBZIJQKMDDB-UHFFFAOYSA-N 1 0 376.835 2.630 20 0 GFADRO CCC(CC)NS(=O)(=O)c1ccc(N2CCC([NH+](CC)CC)CC2)nc1 ZINC001165053700 722006004 /nfs/dbraw/zinc/00/60/04/722006004.db2.gz CXTJGFILWOZNKY-UHFFFAOYSA-N 1 0 382.574 2.859 20 0 GFADRO Cn1c(=O)ccc2ccc(N3CCC4(CC[N@H+](Cc5cccnc5)C4)CC3)nc21 ZINC001164953755 722018303 /nfs/dbraw/zinc/01/83/03/722018303.db2.gz YCCBDJHGCAPJAM-UHFFFAOYSA-N 1 0 389.503 2.821 20 0 GFADRO COC(=O)c1cccc2nc(N3CC[NH+](CCc4ccccn4)CC3)ccc21 ZINC001165055602 722018744 /nfs/dbraw/zinc/01/87/44/722018744.db2.gz RAWWEOQFPRZXJG-UHFFFAOYSA-N 1 0 376.460 2.781 20 0 GFADRO c1nc2c(ncnc2N2CC[NH+](CCc3ccccn3)CC2)n1-c1ccccc1 ZINC001165055229 722019209 /nfs/dbraw/zinc/01/92/09/722019209.db2.gz NEUKTOUDYZMOHH-UHFFFAOYSA-N 1 0 385.475 2.575 20 0 GFADRO Cc1nc(C)c(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c(Cl)n1 ZINC001164970985 722111588 /nfs/dbraw/zinc/11/15/88/722111588.db2.gz BAMXBDFAMHDYGR-ZWKOTPCHSA-N 1 0 387.915 2.869 20 0 GFADRO Fc1cccc2ncnc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)c12 ZINC001164971916 722123744 /nfs/dbraw/zinc/12/37/44/722123744.db2.gz DNFVZZGTFNPKBX-XLIONFOSSA-N 1 0 393.466 2.891 20 0 GFADRO Cc1nc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)nc(C)c1Cl ZINC001164981704 722126304 /nfs/dbraw/zinc/12/63/04/722126304.db2.gz UXGOQMAYYCWNNF-ROUUACIJSA-N 1 0 387.915 2.869 20 0 GFADRO Cc1cc2c(ncnc2N2CCCn3cnc(COCC[NH+](C)C)c3C2)s1 ZINC001165001452 722250539 /nfs/dbraw/zinc/25/05/39/722250539.db2.gz RERARTPPFOLKTJ-UHFFFAOYSA-N 1 0 386.525 2.685 20 0 GFADRO CCOc1cc(Cl)nc(N2CCCn3cnc(COCC[NH+](C)C)c3C2)c1 ZINC001165000523 722252901 /nfs/dbraw/zinc/25/29/01/722252901.db2.gz QZLZEESPBNUFGW-UHFFFAOYSA-N 1 0 393.919 2.819 20 0 GFADRO Cc1cc2ncnc(N3CCCn4cnc(COCC[NH+](C)C)c4C3)c2cc1C ZINC001165004024 722257732 /nfs/dbraw/zinc/25/77/32/722257732.db2.gz LQENRDSBIKUVFO-UHFFFAOYSA-N 1 0 394.523 2.932 20 0 GFADRO CCOC(=O)c1nc(NC[C@@H]2CCC[N@@H+]2CCOC)ccc1Br ZINC000603287557 532088784 /nfs/dbraw/zinc/08/87/84/532088784.db2.gz BYEMGHJZFZENRY-LBPRGKRZSA-N 1 0 386.290 2.544 20 0 GFADRO C[NH+](C)CCc1ccc(CNc2ncc(I)cn2)cc1 ZINC000526960632 532541631 /nfs/dbraw/zinc/54/16/31/532541631.db2.gz YLUPCOIPYCNIQS-UHFFFAOYSA-N 1 0 382.249 2.797 20 0 GFADRO C[C@@H]1OCC[C@]1(O)C[NH2+]Cc1cc(Br)cc(Br)c1 ZINC000394617384 563529937 /nfs/dbraw/zinc/52/99/37/563529937.db2.gz JIHIRJNDLMGPGN-ZANVPECISA-N 1 0 379.092 2.841 20 0 GFADRO CC(C)C(=O)N1CCC[C@@H]1C(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000109484664 206256792 /nfs/dbraw/zinc/25/67/92/206256792.db2.gz RXJWPDOURFOBDE-GOSISDBHSA-N 1 0 375.538 2.821 20 0 GFADRO C[C@H](CNC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1)C[NH+]1CCCC1 ZINC000047920022 206264166 /nfs/dbraw/zinc/26/41/66/206264166.db2.gz CTHHKTQMJRPSSP-MRXNPFEDSA-N 1 0 375.488 2.526 20 0 GFADRO Cc1nn(C)c(C)c1[C@H](NC(=O)N1CCC[C@H]([NH+]2CCCC2)C1)C(F)(F)F ZINC000359864523 206265162 /nfs/dbraw/zinc/26/51/62/206265162.db2.gz CNQLKRDEQRGPDI-HOCLYGCPSA-N 1 0 387.450 2.910 20 0 GFADRO Cc1nnc(C2CCN(C(=O)Nc3ccc(N4CC[NH+](C)CC4)cc3C)CC2)[nH]1 ZINC000359940353 206272730 /nfs/dbraw/zinc/27/27/30/206272730.db2.gz GAGHSUQXQKPRMM-UHFFFAOYSA-N 1 0 397.527 2.585 20 0 GFADRO NC(=O)NC(=O)OCCC[NH2+][C@H](c1cc(Cl)ccc1Cl)[C@@H]1CCOC1 ZINC000359996871 206277808 /nfs/dbraw/zinc/27/78/08/206277808.db2.gz SFJFCSQNEQEXSY-YGRLFVJLSA-N 1 0 390.267 2.856 20 0 GFADRO C[NH+](C)C1(CNC(=O)c2cc(Cl)ccc2I)CC1 ZINC000397876740 563532737 /nfs/dbraw/zinc/53/27/37/563532737.db2.gz LZJDJJXUTFJQNW-UHFFFAOYSA-N 1 0 378.641 2.769 20 0 GFADRO CC[C@H]([NH2+][C@@H]1CCCN(S(C)(=O)=O)C1)c1ccc(Br)cc1 ZINC000400207234 563534344 /nfs/dbraw/zinc/53/43/44/563534344.db2.gz RIHGWIAEHBTVKK-CABCVRRESA-N 1 0 375.332 2.914 20 0 GFADRO COC1([C@H](C)[NH2+]C[C@H](O)COc2cc(F)cc(Br)c2)CCC1 ZINC000412019096 563645101 /nfs/dbraw/zinc/64/51/01/563645101.db2.gz DLNTXSPFZCSYRC-FZMZJTMJSA-N 1 0 376.266 2.875 20 0 GFADRO C[C@H](NS(=O)(=O)c1cc(Cl)c(Br)cc1F)[C@H]1CCC[NH2+]C1 ZINC000440733691 563749071 /nfs/dbraw/zinc/74/90/71/563749071.db2.gz KJCNGNLQIJXWIE-IUCAKERBSA-N 1 0 399.713 2.908 20 0 GFADRO O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)c1ccc(Br)o1 ZINC000032065817 551131436 /nfs/dbraw/zinc/13/14/36/551131436.db2.gz YTVPLOZTHZMYMC-UHFFFAOYSA-N 1 0 392.297 2.590 20 0 GFADRO O=C(CCNC(=O)c1cccs1)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000032761615 551131821 /nfs/dbraw/zinc/13/18/21/551131821.db2.gz DIGSUEVXPIXASR-CQSZACIVSA-N 1 0 377.535 2.883 20 0 GFADRO COCC[N@H+](C)CCCNC(=O)C(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000041923317 551136568 /nfs/dbraw/zinc/13/65/68/551136568.db2.gz LIRUMALQZCYFJH-UHFFFAOYSA-N 1 0 396.702 2.670 20 0 GFADRO CCn1c(SCC(=O)NCCC[N@H+](C)C(C)C)nnc1-c1cccs1 ZINC000041927661 551136777 /nfs/dbraw/zinc/13/67/77/551136777.db2.gz FUCSQOXIEOEFDN-UHFFFAOYSA-N 1 0 381.571 2.965 20 0 GFADRO Cc1cc(Br)oc1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cn1 ZINC000053746066 551167803 /nfs/dbraw/zinc/16/78/03/551167803.db2.gz GECPDXKMOIBMMG-UHFFFAOYSA-N 1 0 379.258 2.750 20 0 GFADRO C[C@H]1CCC[N@H+](CCNS(=O)(=O)c2ccc(F)cc2Br)C1 ZINC000055241012 551171783 /nfs/dbraw/zinc/17/17/83/551171783.db2.gz CFEDORKRWGBEGK-NSHDSACASA-N 1 0 379.295 2.598 20 0 GFADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)NC[C@@H]1CCCOC1 ZINC000056742771 551177893 /nfs/dbraw/zinc/17/78/93/551177893.db2.gz CKMUFEFWDRDHRV-INIZCTEOSA-N 1 0 398.345 2.949 20 0 GFADRO CC[NH+]1CCC(CNC(=O)[C@@H](C)NC(=O)c2cccc(Cl)c2Cl)CC1 ZINC000057001545 551179170 /nfs/dbraw/zinc/17/91/70/551179170.db2.gz VCRIKDVFGLHCNF-GFCCVEGCSA-N 1 0 386.323 2.960 20 0 GFADRO O[C@H](C[NH2+]Cc1cc(Br)ccc1F)COc1ccc2c(c1)OCO2 ZINC000067976005 551190748 /nfs/dbraw/zinc/19/07/48/551190748.db2.gz XINUBPZKPJYMLT-CYBMUJFWSA-N 1 0 398.228 2.846 20 0 GFADRO CC(C)C[C@@H](CNC(=O)CCNC(=O)c1ccc(Br)cc1)[NH+](C)C ZINC000114140478 551209277 /nfs/dbraw/zinc/20/92/77/551209277.db2.gz KTZDQPKTTMEZSN-INIZCTEOSA-N 1 0 398.345 2.662 20 0 GFADRO Cc1cc(Br)ccc1C(=O)NCC1CC[NH+](CCN(C)C)CC1 ZINC000114141763 551209383 /nfs/dbraw/zinc/20/93/83/551209383.db2.gz SJBINVQAUBXIEJ-UHFFFAOYSA-N 1 0 382.346 2.761 20 0 GFADRO O=S(=O)(NC[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(OC(F)F)c(Cl)c1 ZINC000119445099 551216302 /nfs/dbraw/zinc/21/63/02/551216302.db2.gz XZIWUQBZIVVQIT-JTQLQIEISA-N 1 0 380.844 2.704 20 0 GFADRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1csc(I)c1 ZINC000120750103 551221778 /nfs/dbraw/zinc/22/17/78/551221778.db2.gz BKEHCCVSVLIBES-KOLCDFICSA-N 1 0 378.279 2.765 20 0 GFADRO Cc1cccc(NC(=O)C(=O)N[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)c1Br ZINC000120982376 551224286 /nfs/dbraw/zinc/22/42/86/551224286.db2.gz YKHGAROEWGBOGO-JSGCOSHPSA-N 1 0 396.329 2.933 20 0 GFADRO Cc1cccc(C(=O)NCC2CC[NH+](CCN(C)C)CC2)c1Br ZINC000121082664 551226956 /nfs/dbraw/zinc/22/69/56/551226956.db2.gz DLOURKFNJQLEQT-UHFFFAOYSA-N 1 0 382.346 2.761 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)c1cn(-c2ccc(Br)cc2)cn1)C1CC1 ZINC000121104393 551227367 /nfs/dbraw/zinc/22/73/67/551227367.db2.gz PMNJVZMHHFMLOV-MRXNPFEDSA-N 1 0 377.286 2.705 20 0 GFADRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1cc(=O)[nH]c2ccc(Br)cc21 ZINC000121142382 551227847 /nfs/dbraw/zinc/22/78/47/551227847.db2.gz QHPCTXIBWXRKAA-ZBEGNZNMSA-N 1 0 392.297 2.703 20 0 GFADRO O=C(C1CC1)N1CCC[N@@H+](C[C@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000121245973 551230707 /nfs/dbraw/zinc/23/07/07/551230707.db2.gz AEEYVICDJAIATB-HNNXBMFYSA-N 1 0 387.307 2.677 20 0 GFADRO C[NH+](C)[C@H]1CCC[C@H](NS(=O)(=O)Cc2ccc(Br)cc2)C1 ZINC000121287176 551231406 /nfs/dbraw/zinc/23/14/06/551231406.db2.gz FEHARCAPGSCXGK-GJZGRUSLSA-N 1 0 375.332 2.741 20 0 GFADRO CC[NH+]1CCN([C@H](C)CNC(=O)c2ccc(Cl)cc2Br)CC1 ZINC000121756629 551241686 /nfs/dbraw/zinc/24/16/86/551241686.db2.gz CDWHOTGGALTNSQ-GFCCVEGCSA-N 1 0 388.737 2.858 20 0 GFADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)Nc1cc(F)c(Br)cc1F ZINC000121774885 551242382 /nfs/dbraw/zinc/24/23/82/551242382.db2.gz VUSICXCWISHKSM-JTQLQIEISA-N 1 0 392.244 2.960 20 0 GFADRO CC(C)c1cc(Br)ccc1NC(=O)C(=O)NC[C@@H](C1CC1)[NH+](C)C ZINC000121920397 551292756 /nfs/dbraw/zinc/29/27/56/551292756.db2.gz UGLUTUCIBPIRCU-INIZCTEOSA-N 1 0 396.329 2.967 20 0 GFADRO Cc1cc(S(=O)(=O)NCCC2CC[NH+](C)CC2)sc1Br ZINC000122045307 551293666 /nfs/dbraw/zinc/29/36/66/551293666.db2.gz VYKFQHMDSIXARO-UHFFFAOYSA-N 1 0 381.361 2.829 20 0 GFADRO Cc1ccc(NC(=O)C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)cc1Br ZINC000122089599 551294696 /nfs/dbraw/zinc/29/46/96/551294696.db2.gz JSHIOHVJAFRDCH-CJNGLKHVSA-N 1 0 394.313 2.639 20 0 GFADRO C[C@H](NC(=O)[C@@H]1CCC[NH2+]C1)c1nc(-c2ccc(Br)cc2)no1 ZINC000122561251 551300175 /nfs/dbraw/zinc/30/01/75/551300175.db2.gz SREDCAGYHIUAGQ-CMPLNLGQSA-N 1 0 379.258 2.676 20 0 GFADRO CC(C)[C@@H](CNC(=O)C(=O)Nc1ccc(Br)cc1)[NH+]1CCCC1 ZINC000122806622 551302159 /nfs/dbraw/zinc/30/21/59/551302159.db2.gz LJBFVAIGWRYEFZ-OAHLLOKOSA-N 1 0 382.302 2.624 20 0 GFADRO O[C@@H](C[NH2+]Cc1cc(F)ccc1Br)COc1ccc2c(c1)OCO2 ZINC000123365337 551306280 /nfs/dbraw/zinc/30/62/80/551306280.db2.gz IAWOAFDYOBBMKA-ZDUSSCGKSA-N 1 0 398.228 2.846 20 0 GFADRO Cc1ccc(NC(=O)C(=O)NCC[N@H+]2CCCC[C@@H]2C)cc1Br ZINC000123838506 551308892 /nfs/dbraw/zinc/30/88/92/551308892.db2.gz OJZBXEVBPVNYCW-ZDUSSCGKSA-N 1 0 382.302 2.687 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)c1cnn2cc(Br)cnc12)c1cccs1 ZINC000124378018 551313960 /nfs/dbraw/zinc/31/39/60/551313960.db2.gz ICJKVJIVMRXPAK-LBPRGKRZSA-N 1 0 394.298 2.586 20 0 GFADRO [NH3+]C[C@@H](NS(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C1CC1 ZINC000124655377 551316338 /nfs/dbraw/zinc/31/63/38/551316338.db2.gz FJKNALBYSCWRCT-LLVKDONJSA-N 1 0 376.322 2.740 20 0 GFADRO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)Cc1ccccc1I ZINC000124743495 551317610 /nfs/dbraw/zinc/31/76/10/551317610.db2.gz BLOWEHWKVIRDPO-HNNXBMFYSA-N 1 0 386.277 2.632 20 0 GFADRO C[C@@H](C[S@](C)=O)[N@H+](C)CCCOc1cccc(I)c1 ZINC000126108624 551325909 /nfs/dbraw/zinc/32/59/09/551325909.db2.gz RMLFILRRMLIWOW-HXPMCKFVSA-N 1 0 395.306 2.759 20 0 GFADRO Cc1nccn1-c1ccc(C[NH2+][C@@H](C)Cn2cc(Br)cn2)cn1 ZINC000126392658 551329278 /nfs/dbraw/zinc/32/92/78/551329278.db2.gz WDWDCINQYGVWBX-LBPRGKRZSA-N 1 0 375.274 2.713 20 0 GFADRO CN(CC[N@H+](C)C1CCN(C)CC1)CC(=O)Nc1ccc(Cl)cc1Cl ZINC000126452003 551330415 /nfs/dbraw/zinc/33/04/15/551330415.db2.gz PKZFPHMIATVYIU-UHFFFAOYSA-N 1 0 387.355 2.890 20 0 GFADRO COCCC[NH+]1CCC(NC(=O)Cc2cc(F)ccc2Br)CC1 ZINC000126747376 551332198 /nfs/dbraw/zinc/33/21/98/551332198.db2.gz OOSPOKKQLFLFOZ-UHFFFAOYSA-N 1 0 387.293 2.748 20 0 GFADRO CC[NH+]1CCN(c2ccccc2NC(=O)NC[C@@H]2CSCCS2)CC1 ZINC000126886742 551333808 /nfs/dbraw/zinc/33/38/08/551333808.db2.gz NKUBIDSOSXAHPT-OAHLLOKOSA-N 1 0 380.583 2.799 20 0 GFADRO C[C@@H](Cn1cc(Br)cn1)[NH2+]Cc1ccc(N2CCOC2=O)cc1 ZINC000127003925 551335594 /nfs/dbraw/zinc/33/55/94/551335594.db2.gz ZICIQAPKYWWFDD-LBPRGKRZSA-N 1 0 379.258 2.781 20 0 GFADRO O=C(N[C@H]1CC[NH2+]C1)c1cccnc1Oc1ccc(F)cc1Br ZINC000127027166 551336127 /nfs/dbraw/zinc/33/61/27/551336127.db2.gz FWQYBLXWBOJVGF-NSHDSACASA-N 1 0 380.217 2.867 20 0 GFADRO C[NH+](C)C[C@@H]1CCN(C(=O)Nc2cnn(-c3ncc(Cl)cc3Cl)c2)C1 ZINC000127181195 551337910 /nfs/dbraw/zinc/33/79/10/551337910.db2.gz BOGXKDMNYDMHHK-NSHDSACASA-N 1 0 383.283 2.990 20 0 GFADRO O=C(NC[C@H]1C[C@H](O)C[N@H+]1Cc1ccccc1)c1ccccc1Br ZINC000127299611 551339697 /nfs/dbraw/zinc/33/96/97/551339697.db2.gz VTCVYOCURWZCGA-CVEARBPZSA-N 1 0 389.293 2.814 20 0 GFADRO C[NH+](C)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2Br)C1 ZINC000127326054 551340328 /nfs/dbraw/zinc/34/03/28/551340328.db2.gz LKIMJVWZRYXODA-CYBMUJFWSA-N 1 0 395.750 2.958 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)c1c(F)cccc1I)C1CC1 ZINC000128337146 551348830 /nfs/dbraw/zinc/34/88/30/551348830.db2.gz HBTMYEBULYCWLQ-GFCCVEGCSA-N 1 0 376.213 2.500 20 0 GFADRO CCC(=O)N[C@@H]1CCC[N@H+](C[C@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000130500609 551365181 /nfs/dbraw/zinc/36/51/81/551365181.db2.gz CPRJWNYUAPYCJF-OLZOCXBDSA-N 1 0 375.296 2.724 20 0 GFADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)[C@@H](C)Sc1nc2ccccc2s1 ZINC000130488176 551365358 /nfs/dbraw/zinc/36/53/58/551365358.db2.gz KNSDGEFCXGGPNL-ZIAGYGMSSA-N 1 0 378.567 2.529 20 0 GFADRO C[NH+](C)C1CCN(C(=O)c2cn(-c3ccc(Br)cc3)cn2)CC1 ZINC000132737290 551378207 /nfs/dbraw/zinc/37/82/07/551378207.db2.gz BHAFKGWWHYBWSE-UHFFFAOYSA-N 1 0 377.286 2.801 20 0 GFADRO C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)C1 ZINC000132856509 551379719 /nfs/dbraw/zinc/37/97/19/551379719.db2.gz MQBDOUXIROOIMV-CZUORRHYSA-N 1 0 384.307 2.808 20 0 GFADRO COCC[N@H+](C)CCCNC(=O)[C@H](C)Cc1ccc(F)c(Br)c1 ZINC000133162536 551382355 /nfs/dbraw/zinc/38/23/55/551382355.db2.gz JLBLHZJTBCWABO-CYBMUJFWSA-N 1 0 389.309 2.851 20 0 GFADRO COCC[N@H+](C)CCCNC(=O)[C@@H](C)Cc1ccc(F)c(Br)c1 ZINC000133162353 551382604 /nfs/dbraw/zinc/38/26/04/551382604.db2.gz JLBLHZJTBCWABO-ZDUSSCGKSA-N 1 0 389.309 2.851 20 0 GFADRO O=S(=O)(Cc1ccon1)NCC[NH2+][C@H]1CCc2cc(Cl)cc(Cl)c21 ZINC000134431243 551385478 /nfs/dbraw/zinc/38/54/78/551385478.db2.gz FQVMJCJULNTJGD-AWEZNQCLSA-N 1 0 390.292 2.678 20 0 GFADRO COC(=O)CN(C)C(=O)CC[NH+]1CCC(Sc2ccc(Cl)cc2)CC1 ZINC000134857905 551386194 /nfs/dbraw/zinc/38/61/94/551386194.db2.gz KXWKWTRXDQYHIE-UHFFFAOYSA-N 1 0 384.929 2.918 20 0 GFADRO CO[C@@H]1CCN(Cc2ncc(Br)cc2Br)[C@H](C[NH3+])C1 ZINC000135331405 551387298 /nfs/dbraw/zinc/38/72/98/551387298.db2.gz CQEQULJBDIKMRC-WDEREUQCSA-N 1 0 393.123 2.545 20 0 GFADRO CCC[N@H+](CCCOc1cccc(I)c1)CC(=O)NC ZINC000138371131 551391732 /nfs/dbraw/zinc/39/17/32/551391732.db2.gz DNIDXRJDFRXRMD-UHFFFAOYSA-N 1 0 390.265 2.518 20 0 GFADRO C[N@@H+]1CCC[C@H]2CN([C@H](C(N)=O)c3ccc(Br)cc3F)CC[C@@H]21 ZINC000139994292 551392849 /nfs/dbraw/zinc/39/28/49/551392849.db2.gz HZJPJCWOPIOBAW-UVBJJODRSA-N 1 0 384.293 2.531 20 0 GFADRO COCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](Cc2ccc(F)cc2Br)C1 ZINC000144198403 551395635 /nfs/dbraw/zinc/39/56/35/551395635.db2.gz JZXKQILBNABGPT-OCCSQVGLSA-N 1 0 387.293 2.951 20 0 GFADRO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)C1NC(=O)CSc1nncs1 ZINC000150897072 551403305 /nfs/dbraw/zinc/40/33/05/551403305.db2.gz TYQACOGVWIFKKK-VMZNBEPHSA-N 1 0 376.551 2.903 20 0 GFADRO [NH3+]CC1(C(=O)N2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)CCCC1 ZINC000151142761 551407851 /nfs/dbraw/zinc/40/78/51/551407851.db2.gz QIRSBOJJDDFIGN-UHFFFAOYSA-N 1 0 384.307 2.797 20 0 GFADRO Cc1c(I)cccc1C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000151428846 551413435 /nfs/dbraw/zinc/41/34/35/551413435.db2.gz IANXMTKEAPASDH-UHFFFAOYSA-N 1 0 398.248 2.610 20 0 GFADRO Cn1cc(Br)cc1C[N@H+](C)CCC(=O)Nc1ccc2c(c1)OCO2 ZINC000151521263 551415433 /nfs/dbraw/zinc/41/54/33/551415433.db2.gz KOZLPJZJTNFKQA-UHFFFAOYSA-N 1 0 394.269 2.977 20 0 GFADRO O=S(=O)(c1cc(C(F)(F)F)ccc1F)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000151633207 551418070 /nfs/dbraw/zinc/41/80/70/551418070.db2.gz UZXJHGPLFGLMLN-GFCCVEGCSA-N 1 0 380.407 2.951 20 0 GFADRO O=S(=O)(c1ccc(F)cc1Br)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000151632054 551418422 /nfs/dbraw/zinc/41/84/22/551418422.db2.gz QRTQZMUVPPVPQC-GFCCVEGCSA-N 1 0 391.306 2.695 20 0 GFADRO CC(C)N(CC[NH+](C)C)C(=O)c1ccc(F)cc1I ZINC000151832828 551421805 /nfs/dbraw/zinc/42/18/05/551421805.db2.gz TVZHIWTVYGDRRE-UHFFFAOYSA-N 1 0 378.229 2.843 20 0 GFADRO O=S(=O)(c1ccc(C[NH2+][C@@H]2CCC[C@H](C3CC3)C2)s1)N1CCOCC1 ZINC000152148212 551426693 /nfs/dbraw/zinc/42/66/93/551426693.db2.gz DMZRICHCYWUQGM-JKSUJKDBSA-N 1 0 384.567 2.827 20 0 GFADRO C[NH+](C)CCCOC1CCN(S(=O)(=O)c2cccc3c2N=S=N3)CC1 ZINC000152182441 551427976 /nfs/dbraw/zinc/42/79/76/551427976.db2.gz OWUQIVNICVPISF-UHFFFAOYSA-N 1 0 384.527 2.534 20 0 GFADRO CS[C@H](CO)[C@H](C)[NH2+]Cc1cc(Br)c2c(c1)OCCCO2 ZINC000152424933 551432581 /nfs/dbraw/zinc/43/25/81/551432581.db2.gz QVHJJIVZJBNWEM-IINYFYTJSA-N 1 0 376.316 2.812 20 0 GFADRO C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)Cc1ccccc1Br ZINC000152832883 551440501 /nfs/dbraw/zinc/44/05/01/551440501.db2.gz BMZBRMUAZXQQBV-UHFFFAOYSA-N 1 0 390.281 2.791 20 0 GFADRO CCO[C@H]1C[C@H](O)C12CC[NH+](C[C@H](O)c1ccc(Br)cc1)CC2 ZINC000152835800 551440701 /nfs/dbraw/zinc/44/07/01/551440701.db2.gz ZQIDASHBXZQTRC-ULQDDVLXSA-N 1 0 384.314 2.734 20 0 GFADRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1cc(Br)ccc1O ZINC000152927258 551443022 /nfs/dbraw/zinc/44/30/22/551443022.db2.gz PNKXNYFTVAFRFY-NVXWUHKLSA-N 1 0 397.313 2.652 20 0 GFADRO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1ccc(Br)c(Cl)c1 ZINC000153258380 551449496 /nfs/dbraw/zinc/44/94/96/551449496.db2.gz XSWWFOLPOGUARK-JTQLQIEISA-N 1 0 390.709 2.888 20 0 GFADRO C[C@@H]1CN(C(=O)c2cc(I)ccc2Cl)C[C@@H](C)[NH2+]1 ZINC000153595440 551456366 /nfs/dbraw/zinc/45/63/66/551456366.db2.gz KTQIJGZXZNBHBD-RKDXNWHRSA-N 1 0 378.641 2.767 20 0 GFADRO C[C@@H]1CN(C(=O)c2cc(I)ccc2Cl)C[C@H](C)[NH2+]1 ZINC000153595238 551456573 /nfs/dbraw/zinc/45/65/73/551456573.db2.gz KTQIJGZXZNBHBD-DTORHVGOSA-N 1 0 378.641 2.767 20 0 GFADRO C[C@H]([NH2+]C1CCN(S(=O)(=O)c2cnn(C)c2)CC1)c1ccc(Cl)cc1 ZINC000153626974 551457205 /nfs/dbraw/zinc/45/72/05/551457205.db2.gz NRIOQAODKNTHHE-ZDUSSCGKSA-N 1 0 382.917 2.577 20 0 GFADRO C[NH+](C)C[C@H]1CCN(S(=O)(=O)c2ccc(Br)c(Cl)c2)C1 ZINC000153840348 551461442 /nfs/dbraw/zinc/46/14/42/551461442.db2.gz BFAIHJVJWJZVNU-SNVBAGLBSA-N 1 0 381.723 2.675 20 0 GFADRO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)c1cc(=O)[nH]c2ccc(Br)cc21 ZINC000153910304 551463012 /nfs/dbraw/zinc/46/30/12/551463012.db2.gz IOFDOKKITCPDLX-MRXNPFEDSA-N 1 0 392.297 2.703 20 0 GFADRO Brc1cc2c(c(C[N@@H+]3CCC[C@@H](Cn4ccnn4)C3)c1)OCC2 ZINC000154039910 551466151 /nfs/dbraw/zinc/46/61/51/551466151.db2.gz XSMNWJHVANFGTP-CYBMUJFWSA-N 1 0 377.286 2.888 20 0 GFADRO CS[C@H](CO)[C@@H](C)[NH2+][C@H](C)CC(=O)Nc1cccc(Br)c1 ZINC000154183898 551469024 /nfs/dbraw/zinc/46/90/24/551469024.db2.gz WJEZSMUAYOXKKX-JTNHKYCSSA-N 1 0 375.332 2.868 20 0 GFADRO C[N@H+](CCNC(=O)CNC(=O)c1ccc(Br)cc1)C1CCCCC1 ZINC000154235882 551470399 /nfs/dbraw/zinc/47/03/99/551470399.db2.gz VKKGFWPNJKWUIK-UHFFFAOYSA-N 1 0 396.329 2.560 20 0 GFADRO C[NH2+]C[C@H](C)CNC(=O)c1ccc(NC(=O)c2ccc(Br)o2)cc1 ZINC000154568634 551478015 /nfs/dbraw/zinc/47/80/15/551478015.db2.gz YNIABFWVYGAVEC-NSHDSACASA-N 1 0 394.269 2.880 20 0 GFADRO CCN1CC[NH+](CCCCNC(=O)c2cc(C)ccc2Br)CC1 ZINC000154645261 551479951 /nfs/dbraw/zinc/47/99/51/551479951.db2.gz AVMYUIDFPIXWLB-UHFFFAOYSA-N 1 0 382.346 2.905 20 0 GFADRO CCN(CC)S(=O)(=O)CC[NH2+][C@H]1CCc2ccc(OC(F)(F)F)cc21 ZINC000154840067 551484111 /nfs/dbraw/zinc/48/41/11/551484111.db2.gz JMYXLGIBMLYBEZ-HNNXBMFYSA-N 1 0 380.432 2.834 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)c(C)c1C[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000155033590 551489306 /nfs/dbraw/zinc/48/93/06/551489306.db2.gz NQVXZGMAKRJOGP-AWEZNQCLSA-N 1 0 391.313 2.949 20 0 GFADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000155067263 551490513 /nfs/dbraw/zinc/49/05/13/551490513.db2.gz JACAFLBHQPASRM-ZACQAIPSSA-N 1 0 396.329 2.842 20 0 GFADRO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)Nc1ccc(Cl)cc1Br ZINC000155215790 551494506 /nfs/dbraw/zinc/49/45/06/551494506.db2.gz RHDUVJNXNILACY-SNVBAGLBSA-N 1 0 390.709 2.888 20 0 GFADRO CC[N@@H+]1CCC[C@H](CNS(=O)(=O)c2cc(F)ccc2Br)C1 ZINC000155785501 551507780 /nfs/dbraw/zinc/50/77/80/551507780.db2.gz LMQHWIARRWTJKQ-LLVKDONJSA-N 1 0 379.295 2.598 20 0 GFADRO O[C@H](COc1c(Cl)cccc1Cl)C[NH+]1CCC(Cn2ccnn2)CC1 ZINC000155916129 551511043 /nfs/dbraw/zinc/51/10/43/551511043.db2.gz TXZVQATWWCAWJD-AWEZNQCLSA-N 1 0 385.295 2.737 20 0 GFADRO Cc1ccc2ncc(C[NH2+]CCNC(=O)c3ccc(Br)cc3)n2c1 ZINC000156070040 551513839 /nfs/dbraw/zinc/51/38/39/551513839.db2.gz CWVLSBQDMRCFEZ-UHFFFAOYSA-N 1 0 387.281 2.925 20 0 GFADRO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1ccc(Cl)cc1Br ZINC000156113243 551514744 /nfs/dbraw/zinc/51/47/44/551514744.db2.gz SPIFSVHJXORVFB-SNVBAGLBSA-N 1 0 390.709 2.888 20 0 GFADRO C[N@H+](CC(=O)NCCOc1ncc(C(F)(F)F)cc1Cl)[C@@H]1CCSC1 ZINC000156354598 551521217 /nfs/dbraw/zinc/52/12/17/551521217.db2.gz NIGZYBJPANOXTF-LLVKDONJSA-N 1 0 397.850 2.686 20 0 GFADRO CCS(=O)(=O)N(C)CCC[NH2+][C@@H](C)c1ccc(OC)c(Br)c1 ZINC000156870966 551529079 /nfs/dbraw/zinc/52/90/79/551529079.db2.gz CXJOPIUEIGXEJC-LBPRGKRZSA-N 1 0 393.347 2.780 20 0 GFADRO COc1cc(I)c(Cl)cc1C(=O)NC[C@@H]([NH3+])C(C)C ZINC000157181595 551534261 /nfs/dbraw/zinc/53/42/61/551534261.db2.gz GTIXHLNXBLRJPM-LLVKDONJSA-N 1 0 396.656 2.666 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)N(CC[NH+](C)C)C(C)C ZINC000157212057 551534816 /nfs/dbraw/zinc/53/48/16/551534816.db2.gz QARFBCIUOLLPMO-UHFFFAOYSA-N 1 0 399.333 2.678 20 0 GFADRO COc1ccc(Br)c(CC(=O)NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000157463217 551538272 /nfs/dbraw/zinc/53/82/72/551538272.db2.gz TXPBEUWRQOAEEZ-OKILXGFUSA-N 1 0 399.329 2.616 20 0 GFADRO Cc1cc(C(=O)N[C@H](C)[C@H]2CN(C)CCO2)c2cc(Br)ccc2n1 ZINC000157688227 551541552 /nfs/dbraw/zinc/54/15/52/551541552.db2.gz LJKUZFWPJJLQGH-SJKOYZFVSA-N 1 0 392.297 2.755 20 0 GFADRO CN(CC[NH2+]Cc1ccc(Br)cc1)S(=O)(=O)c1cccs1 ZINC000158263889 551549137 /nfs/dbraw/zinc/54/91/37/551549137.db2.gz ZOBWYCHWSVIOSR-UHFFFAOYSA-N 1 0 389.340 2.921 20 0 GFADRO O=C(c1[nH]nc(-c2ccccc2)c1Br)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000158353581 551550622 /nfs/dbraw/zinc/55/06/22/551550622.db2.gz ALWFZMYHJIKGLJ-QGZVFWFLSA-N 1 0 375.270 2.665 20 0 GFADRO Cc1nc(C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)nn1-c1c(Cl)cccc1Cl ZINC000158544482 551553507 /nfs/dbraw/zinc/55/35/07/551553507.db2.gz OCHRNNANAXHMEF-QGZVFWFLSA-N 1 0 380.279 2.708 20 0 GFADRO O=C([C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000158692829 551554773 /nfs/dbraw/zinc/55/47/73/551554773.db2.gz HYHFVOMJWLDZTN-FZKQIMNGSA-N 1 0 382.291 2.558 20 0 GFADRO O=C([C@@H]1CCN(c2cc(Cl)ccc2Cl)C1=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000158839354 551557201 /nfs/dbraw/zinc/55/72/01/551557201.db2.gz LOCVLNXIEFHRCY-UGSOOPFHSA-N 1 0 382.291 2.558 20 0 GFADRO CCc1c(C(=O)N[C@H](C[NH3+])C2CC2)cnn1-c1ccc(Br)cc1 ZINC000159187632 551561752 /nfs/dbraw/zinc/56/17/52/551561752.db2.gz ZMCMMNKADFZTBR-OAHLLOKOSA-N 1 0 377.286 2.664 20 0 GFADRO COc1ccc(Cl)cc1NC(=O)CN1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000161574949 551596079 /nfs/dbraw/zinc/59/60/79/551596079.db2.gz GBDISLJWLGJJBG-OAHLLOKOSA-N 1 0 380.794 2.922 20 0 GFADRO O=S(=O)(NCCCC[N@H+]1CCC[C@@H]1CO)c1cccc(Cl)c1Cl ZINC000161739287 551598561 /nfs/dbraw/zinc/59/85/61/551598561.db2.gz DAYRBKHEDQSHJX-GFCCVEGCSA-N 1 0 381.325 2.509 20 0 GFADRO NC(=O)[C@H]([NH2+]CCc1ccc2c(c1)OCCO2)c1cccc(Br)c1 ZINC000161813922 551598939 /nfs/dbraw/zinc/59/89/39/551598939.db2.gz PVDLKKCJMMNVBY-QGZVFWFLSA-N 1 0 391.265 2.579 20 0 GFADRO NC(=O)[C@H]([NH2+]C[C@@H]1CC(=O)Nc2ccccc21)c1cccc(Br)c1 ZINC000162230232 551605460 /nfs/dbraw/zinc/60/54/60/551605460.db2.gz YMXSOIIVBDUHJJ-YVEFUNNKSA-N 1 0 388.265 2.691 20 0 GFADRO NS(=O)(=O)c1ccc(CC[NH2+]Cc2ccc(F)c(C(F)(F)F)c2)cc1 ZINC000162574152 551610283 /nfs/dbraw/zinc/61/02/83/551610283.db2.gz UDURPKXIYNRBIO-UHFFFAOYSA-N 1 0 376.375 2.824 20 0 GFADRO CC[NH+](CC)[C@H]1CCN(S(=O)(=O)c2cc(F)c(Br)cc2F)C1 ZINC000162842635 551613008 /nfs/dbraw/zinc/61/30/08/551613008.db2.gz LGDGIMFZJNDTJU-JTQLQIEISA-N 1 0 397.285 2.832 20 0 GFADRO NC(=O)[C@@H](c1cccc(Br)c1)N1CCC([NH2+]C2CCCC2)CC1 ZINC000163028609 551615453 /nfs/dbraw/zinc/61/54/53/551615453.db2.gz HPFZQPRHICJWAD-QGZVFWFLSA-N 1 0 380.330 2.972 20 0 GFADRO C[C@@H](CC(=O)Nc1cccnc1Cl)[NH2+]C[C@@H]1CCN(CC(F)(F)F)C1 ZINC000163088986 551616220 /nfs/dbraw/zinc/61/62/20/551616220.db2.gz UPMSHQBHKZEPAH-RYUDHWBXSA-N 1 0 378.826 2.926 20 0 GFADRO CC[N@@H+]1CCCN(C(=O)C(=O)Nc2ccc(C(F)(F)F)cc2Cl)CC1 ZINC000163214533 551617627 /nfs/dbraw/zinc/61/76/27/551617627.db2.gz BGEXDLDNLLOQQB-UHFFFAOYSA-N 1 0 377.794 2.852 20 0 GFADRO CC[C@H](COC)NC(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000163240920 551617702 /nfs/dbraw/zinc/61/77/02/551617702.db2.gz JVHGYPNIRLEKHP-MRXNPFEDSA-N 1 0 386.334 2.947 20 0 GFADRO C[NH+](C)[C@H]1CCCN(C(=O)C(=O)Nc2cc(Cl)ccc2Br)C1 ZINC000163430267 551619534 /nfs/dbraw/zinc/61/95/34/551619534.db2.gz UUSSHOCKHKXORZ-NSHDSACASA-N 1 0 388.693 2.594 20 0 GFADRO C[C@H](CO[C@@H]1CCOC1)[NH2+][C@@H](C)CC(=O)Nc1ccc(Br)cc1 ZINC000166511937 551631713 /nfs/dbraw/zinc/63/17/13/551631713.db2.gz BJRHBEZPURHECO-WOSRLPQWSA-N 1 0 385.302 2.950 20 0 GFADRO C[C@H](CO[C@@H]1CCOC1)[NH2+][C@H](C)CC(=O)Nc1ccc(Br)cc1 ZINC000166512034 551631796 /nfs/dbraw/zinc/63/17/96/551631796.db2.gz BJRHBEZPURHECO-XJKCOSOUSA-N 1 0 385.302 2.950 20 0 GFADRO CCn1cc(Br)cc1C(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000170953530 551644392 /nfs/dbraw/zinc/64/43/92/551644392.db2.gz NCVDZWYIPOZRSV-INIZCTEOSA-N 1 0 397.361 2.513 20 0 GFADRO COCC[N@H+](C)CCNC(=O)[C@H](C)Sc1ccc(Br)cc1 ZINC000171127912 551647745 /nfs/dbraw/zinc/64/77/45/551647745.db2.gz ATFJKXURMKZFKC-LBPRGKRZSA-N 1 0 375.332 2.624 20 0 GFADRO COCCC[NH+]1CCC(NC(=O)c2cc3sc(N(C)C)nc3s2)CC1 ZINC000171122606 551647755 /nfs/dbraw/zinc/64/77/55/551647755.db2.gz XUQJSKFXYYXUFU-UHFFFAOYSA-N 1 0 382.555 2.655 20 0 GFADRO C[N@@H+]1CCC[C@H]1CNC(=O)NCc1cc(Br)ccc1OC(F)F ZINC000171190252 551649170 /nfs/dbraw/zinc/64/91/70/551649170.db2.gz LGCUMDOPVULUNE-LBPRGKRZSA-N 1 0 392.244 2.944 20 0 GFADRO COCC[N@H+](C)CCNC(=O)N[C@@H](C)CCc1ccc(Br)cc1 ZINC000171200845 551649514 /nfs/dbraw/zinc/64/95/14/551649514.db2.gz MECBLSGVDCYDPP-AWEZNQCLSA-N 1 0 386.334 2.648 20 0 GFADRO CN(C(=O)[C@]12CCC(=O)N1c1cc(Cl)ccc1S2)C1CC[NH+](C)CC1 ZINC000171534900 551657731 /nfs/dbraw/zinc/65/77/31/551657731.db2.gz RRGJPZWUTAVVAE-GOSISDBHSA-N 1 0 379.913 2.821 20 0 GFADRO Cc1c(C(=O)NCC[NH+]2CCCC2)cnn1-c1cccc(Br)c1 ZINC000171567995 551657956 /nfs/dbraw/zinc/65/79/56/551657956.db2.gz MMXJHRNWUWAETA-UHFFFAOYSA-N 1 0 377.286 2.769 20 0 GFADRO CC[N@@H+](CC(=O)N(C)Cc1cc(Br)cs1)C[C@@H]1CCCO1 ZINC000172173546 551672485 /nfs/dbraw/zinc/67/24/85/551672485.db2.gz BAEXWLTUGQPEDI-ZDUSSCGKSA-N 1 0 375.332 2.970 20 0 GFADRO O=C(Cc1ccc(F)c(Br)c1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000172459632 551679383 /nfs/dbraw/zinc/67/93/83/551679383.db2.gz VGVJLBNXPJPYIB-UHFFFAOYSA-N 1 0 399.304 2.702 20 0 GFADRO O=C(NCc1ccc(Br)cc1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000172463564 551680040 /nfs/dbraw/zinc/68/00/40/551680040.db2.gz GSHZLXYTUZTQEH-UHFFFAOYSA-N 1 0 396.329 2.703 20 0 GFADRO CC[NH+](CC)CCSCC(=O)N[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000172805782 551687255 /nfs/dbraw/zinc/68/72/55/551687255.db2.gz GFBXJMFZXGOEQQ-OAHLLOKOSA-N 1 0 383.945 2.637 20 0 GFADRO COCC[NH+]1CCC(NC(=O)N[C@H](C)c2ccc(Br)s2)CC1 ZINC000443170276 563794511 /nfs/dbraw/zinc/79/45/11/563794511.db2.gz SRGFWAKFAAOSSJ-LLVKDONJSA-N 1 0 390.347 2.982 20 0 GFADRO C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)C(=O)Nc1ccc(Br)cc1F)C2 ZINC000173455795 552085714 /nfs/dbraw/zinc/08/57/14/552085714.db2.gz VFVDVUNQRQAUOT-YHWZYXNKSA-N 1 0 398.276 2.658 20 0 GFADRO COCCC[N@H+](C)CCNC(=O)N(C)Cc1csc(Br)c1 ZINC000173579676 552088539 /nfs/dbraw/zinc/08/85/39/552088539.db2.gz NGGOCXWJGWVYJC-UHFFFAOYSA-N 1 0 378.336 2.620 20 0 GFADRO CC[NH+](CC)C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(Br)cc2C)C1 ZINC000173607122 552088993 /nfs/dbraw/zinc/08/89/93/552088993.db2.gz NMTPVQXPNKVSQK-AWEZNQCLSA-N 1 0 396.329 2.886 20 0 GFADRO Cc1c(Cl)cccc1S(=O)(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000173853313 552094132 /nfs/dbraw/zinc/09/41/32/552094132.db2.gz KWGQUEWUKZNFJU-UHFFFAOYSA-N 1 0 386.945 2.914 20 0 GFADRO CC[NH+](CC)[C@@H]1CCN(C(=O)c2ccc(F)cc2I)C1 ZINC000174135504 552100385 /nfs/dbraw/zinc/10/03/85/552100385.db2.gz NRESEHZTXJBQGT-GFCCVEGCSA-N 1 0 390.240 2.987 20 0 GFADRO C[C@@H](Oc1cc(Cl)cc(Cl)c1)C(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000174177512 552101110 /nfs/dbraw/zinc/10/11/10/552101110.db2.gz PTTSONAUCRJBNT-KGLIPLIRSA-N 1 0 387.307 2.941 20 0 GFADRO O=C(CCc1cccc(Br)c1)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000174188891 552101727 /nfs/dbraw/zinc/10/17/27/552101727.db2.gz ZLKHXGRHWQZMCM-MRXNPFEDSA-N 1 0 381.314 2.562 20 0 GFADRO O=C(c1cc2ccc(Br)cc2[nH]1)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000174203787 552102471 /nfs/dbraw/zinc/10/24/71/552102471.db2.gz QJTKRLZWDKBYAY-CYBMUJFWSA-N 1 0 392.297 2.725 20 0 GFADRO Cc1cc(=O)c(C(=O)N(CC[NH+](C)C)Cc2ccc(Br)cc2)c[nH]1 ZINC000174353497 552103160 /nfs/dbraw/zinc/10/31/60/552103160.db2.gz KETYXIOOTGHWDV-UHFFFAOYSA-N 1 0 392.297 2.650 20 0 GFADRO [NH3+]C[C@@H](NC(=O)C(=O)Nc1ccc(Br)cc1Cl)C1CCCC1 ZINC000415832611 563799070 /nfs/dbraw/zinc/79/90/70/563799070.db2.gz GWLIMCJHPJLQLJ-CYBMUJFWSA-N 1 0 388.693 2.675 20 0 GFADRO CC[C@@H]1CN(C(=O)[C@@H](C)Oc2cccc(Br)c2)CC[N@@H+]1C[C@@H](C)O ZINC000174632484 552107366 /nfs/dbraw/zinc/10/73/66/552107366.db2.gz WEABFAVKWRGFRU-IIAWOOMASA-N 1 0 399.329 2.520 20 0 GFADRO C[N@H+]1[C@@H]2CC[C@H]1CCN(C(=O)c1ccc(I)c(F)c1)C2 ZINC000174653335 552107993 /nfs/dbraw/zinc/10/79/93/552107993.db2.gz NKQGVKJMRNDXQY-NWDGAFQWSA-N 1 0 388.224 2.739 20 0 GFADRO Cc1ccc([C@H](O)C[NH+]2CCC(NS(=O)(=O)c3cccs3)CC2)cc1 ZINC000174701726 552108818 /nfs/dbraw/zinc/10/88/18/552108818.db2.gz VTCMWQKBIAIMSN-QGZVFWFLSA-N 1 0 380.535 2.533 20 0 GFADRO O=C(Nc1ccc(F)c(Br)c1)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000174737922 552109482 /nfs/dbraw/zinc/10/94/82/552109482.db2.gz QDEUANWKAKNBIQ-UHFFFAOYSA-N 1 0 398.276 2.517 20 0 GFADRO CC(C)OC[C@H](O)C[NH+]1CCN([C@H](C)c2ccc(Br)cc2)CC1 ZINC000174793686 552110326 /nfs/dbraw/zinc/11/03/26/552110326.db2.gz FPHKQMFHLCFKOU-CRAIPNDOSA-N 1 0 385.346 2.914 20 0 GFADRO O=C(NCCc1nc(C(F)(F)F)cs1)NC1CC[NH+](CC2CC2)CC1 ZINC000175231904 552118401 /nfs/dbraw/zinc/11/84/01/552118401.db2.gz FOWYBXAWHXJFRV-UHFFFAOYSA-N 1 0 376.448 2.878 20 0 GFADRO CC1(C)CN(C(=O)c2nn(-c3ccc(F)cc3)cc2Br)CC[NH2+]1 ZINC000175436869 552121663 /nfs/dbraw/zinc/12/16/63/552121663.db2.gz NAZWKRIYXSWYOP-UHFFFAOYSA-N 1 0 381.249 2.598 20 0 GFADRO C[C@H](NC(=O)N1CC[NH+](C[C@H]2CCOC2)CC1)c1ccc(Br)cc1 ZINC000175565377 552125124 /nfs/dbraw/zinc/12/51/24/552125124.db2.gz ABRAPJXJNDEZTH-LSDHHAIUSA-N 1 0 396.329 2.874 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)NCC(=O)Nc2cc(Cl)ccc2Cl)C[N@@H+]1C1CC1 ZINC000175586054 552125417 /nfs/dbraw/zinc/12/54/17/552125417.db2.gz WGCCKSHTAFUZQE-PWSUYJOCSA-N 1 0 385.295 2.856 20 0 GFADRO C[C@@H](CNC(=O)NC[C@@H]1CCC[N@H+](C)C1)Oc1ccccc1Br ZINC000175748671 552128175 /nfs/dbraw/zinc/12/81/75/552128175.db2.gz LLOLVEJRTDWCQX-KBPBESRZSA-N 1 0 384.318 2.857 20 0 GFADRO CCOc1cc(C[NH2+][C@@](C)(CCO)COC)cc(Br)c1OC ZINC000175853817 552130505 /nfs/dbraw/zinc/13/05/05/552130505.db2.gz XTEHJRXBDZWVPU-INIZCTEOSA-N 1 0 376.291 2.734 20 0 GFADRO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)N1CC[C@](O)(C(F)(F)F)C1 ZINC000175883126 552131343 /nfs/dbraw/zinc/13/13/43/552131343.db2.gz CKYMJVXABXQEJL-IUODEOHRSA-N 1 0 377.432 2.594 20 0 GFADRO CSc1cccc(NC(=O)C(=O)N(CC[NH+](C)C)Cc2cccs2)c1 ZINC000176112142 552136084 /nfs/dbraw/zinc/13/60/84/552136084.db2.gz YQWLIQNUOGXKOV-UHFFFAOYSA-N 1 0 377.535 2.999 20 0 GFADRO CCOC[C@@H]1CC[N@H+](CC(=O)N(C)Cc2cc(Br)cs2)C1 ZINC000176337231 552138750 /nfs/dbraw/zinc/13/87/50/552138750.db2.gz HKFXBNFWHCZWIM-GFCCVEGCSA-N 1 0 375.332 2.827 20 0 GFADRO CN(CC[NH+](C)C)C(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000176813200 552146411 /nfs/dbraw/zinc/14/64/11/552146411.db2.gz OCTJVKQUTWRNMB-AWEZNQCLSA-N 1 0 386.323 2.866 20 0 GFADRO Cc1nc(C)c(S(=O)(=O)NC2CC[NH+](CCc3ccccc3)CC2)s1 ZINC000176833057 552146779 /nfs/dbraw/zinc/14/67/79/552146779.db2.gz CJLVFFYCZZZLDN-UHFFFAOYSA-N 1 0 379.551 2.745 20 0 GFADRO C[NH+](C)C1CCN(CCNC(=O)[C@H]2C[C@@H]2c2ccc(Br)cc2)CC1 ZINC000177157941 552150659 /nfs/dbraw/zinc/15/06/59/552150659.db2.gz TWURGPIJAUIOGQ-MSOLQXFVSA-N 1 0 394.357 2.695 20 0 GFADRO O=C(CN1CCN(Cc2ccc(Br)o2)CC1)N1CCCCCC1 ZINC000177670795 552156411 /nfs/dbraw/zinc/15/64/11/552156411.db2.gz IHBKJWXACPRCIN-UHFFFAOYSA-N 1 0 384.318 2.562 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)Nc2ccc(F)c(Br)c2)C1 ZINC000178022205 552162745 /nfs/dbraw/zinc/16/27/45/552162745.db2.gz PEWPFKBIRNHJJD-CMPLNLGQSA-N 1 0 386.265 2.516 20 0 GFADRO O=C(c1cc(Br)ccc1Cl)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000178077949 552163601 /nfs/dbraw/zinc/16/36/01/552163601.db2.gz TXZDMOHVRQCKOU-GFCCVEGCSA-N 1 0 387.705 2.897 20 0 GFADRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@@H](CO)c1cccc(Br)c1 ZINC000178112459 552164134 /nfs/dbraw/zinc/16/41/34/552164134.db2.gz CTGLEUCMVCOOQR-CVEARBPZSA-N 1 0 384.318 2.656 20 0 GFADRO COc1cc(Br)c(CN2CC[NH+](C[C@@H]3CCOC3)CC2)cc1OC ZINC000178489407 552171581 /nfs/dbraw/zinc/17/15/81/552171581.db2.gz SYFPOLNHELRWJZ-AWEZNQCLSA-N 1 0 399.329 2.620 20 0 GFADRO C[C@H](C(=O)Nc1cccc(Cl)c1Cl)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000178832087 552176657 /nfs/dbraw/zinc/17/66/57/552176657.db2.gz BATGYMXHRWMJJB-KGLIPLIRSA-N 1 0 386.323 2.975 20 0 GFADRO C[C@@H]([NH3+])C1CCN(C(=O)/C=C/c2cc(Br)c3c(c2)OCCO3)CC1 ZINC000178853194 552177236 /nfs/dbraw/zinc/17/72/36/552177236.db2.gz OQWYAHRXEFWJOM-QAVQXKDTSA-N 1 0 395.297 2.819 20 0 GFADRO CCCN(C(=O)c1ccc(OC)cc1I)[C@H]1CC[NH2+]C1 ZINC000178887809 552178604 /nfs/dbraw/zinc/17/86/04/552178604.db2.gz PFXVLKZNAASIPM-NSHDSACASA-N 1 0 388.249 2.514 20 0 GFADRO CCCN([C@@H]1CC[NH2+]C1)S(=O)(=O)c1cc(Br)c(C)cc1OC ZINC000178931099 552179738 /nfs/dbraw/zinc/17/97/38/552179738.db2.gz LGIUFTIHUFDXQM-GFCCVEGCSA-N 1 0 391.331 2.529 20 0 GFADRO Cn1cc(NC(=O)N2CCC[N@@H+](C3CCCC3)CC2)cc(Br)c1=O ZINC000178966557 552180621 /nfs/dbraw/zinc/18/06/21/552180621.db2.gz KGHUFVOEMLZODO-UHFFFAOYSA-N 1 0 397.317 2.630 20 0 GFADRO COc1ccc(CNC(=O)CN[C@H](C)c2ncc(Br)s2)cc1 ZINC000179216265 552187480 /nfs/dbraw/zinc/18/74/80/552187480.db2.gz AKFKBXJZBHJGSH-SNVBAGLBSA-N 1 0 384.299 2.881 20 0 GFADRO CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H](C)c2ncc(Br)s2)CC1 ZINC000179224842 552187595 /nfs/dbraw/zinc/18/75/95/552187595.db2.gz PDKGHRZURAIJIE-CHWSQXEVSA-N 1 0 375.380 2.830 20 0 GFADRO COCCO[C@H]1CCC[N@H+](C[C@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000179335919 552190182 /nfs/dbraw/zinc/19/01/82/552190182.db2.gz XECNWZZESHAYMQ-KBPBESRZSA-N 1 0 378.296 2.861 20 0 GFADRO O=C(c1c[nH]c2cccc(Br)c21)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000179549304 552195967 /nfs/dbraw/zinc/19/59/67/552195967.db2.gz CMBFQPHZYXBWJB-ZDUSSCGKSA-N 1 0 392.297 2.725 20 0 GFADRO Cc1ccc(NC(=O)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)c(Br)n1 ZINC000179720225 552201268 /nfs/dbraw/zinc/20/12/68/552201268.db2.gz XISGKXQQMWXWEE-CYBMUJFWSA-N 1 0 399.333 2.574 20 0 GFADRO C[NH+](C)Cc1ccc(CNS(=O)(=O)c2c[nH]c3nccc(Cl)c23)cc1 ZINC000180055060 552210940 /nfs/dbraw/zinc/21/09/40/552210940.db2.gz VQEUAHDPINOMKP-UHFFFAOYSA-N 1 0 378.885 2.756 20 0 GFADRO CC(C)[C@@H]([NH2+]CCOc1ccc(Cl)cc1Cl)C(=O)N1CCOCC1 ZINC000180079508 552212814 /nfs/dbraw/zinc/21/28/14/552212814.db2.gz HLSUUWYDKRNKFZ-MRXNPFEDSA-N 1 0 375.296 2.845 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCN(c2cccc(Cl)c2)C1)c1ccc(S(N)(=O)=O)cc1 ZINC000180145533 552215021 /nfs/dbraw/zinc/21/50/21/552215021.db2.gz VBAQNXHQDSDOBD-XJKSGUPXSA-N 1 0 379.913 2.917 20 0 GFADRO CC(=O)N1CC[C@H](C[N@@H+](C)Cc2cc3c(cc2Br)OCCCO3)C1 ZINC000180171959 552215858 /nfs/dbraw/zinc/21/58/58/552215858.db2.gz OAQUEFQOXGFFNF-CQSZACIVSA-N 1 0 397.313 2.911 20 0 GFADRO Cc1cc(S(=O)(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)c(C)s1 ZINC000180457919 552226832 /nfs/dbraw/zinc/22/68/32/552226832.db2.gz RQKBXSHRFJDIHZ-UHFFFAOYSA-N 1 0 386.583 2.878 20 0 GFADRO COCC[N@H+](C)CCNC(=O)c1cc(C)n(-c2ccc(Cl)cc2Cl)n1 ZINC000180488215 552227660 /nfs/dbraw/zinc/22/76/60/552227660.db2.gz METWHLFVYNPGAQ-UHFFFAOYSA-N 1 0 385.295 2.796 20 0 GFADRO COc1cc(Cl)c(C[N@H+](C)C2CCN(S(C)(=O)=O)CC2)cc1Cl ZINC000180631626 552231784 /nfs/dbraw/zinc/23/17/84/552231784.db2.gz BRFUTNSMNRUGPQ-UHFFFAOYSA-N 1 0 381.325 2.858 20 0 GFADRO COC(CN(CCCO)CC(=O)Nc1cc(Cl)c(Cl)cc1Cl)OC ZINC000180637907 552231912 /nfs/dbraw/zinc/23/19/12/552231912.db2.gz MICZGXQKTSHSMG-UHFFFAOYSA-N 1 0 399.702 2.889 20 0 GFADRO C[C@@H]([NH2+][C@H]1CC(=O)N(CCN2CCOCC2)C1)c1ccc(Cl)c(Cl)c1 ZINC000181038291 552243485 /nfs/dbraw/zinc/24/34/85/552243485.db2.gz HUXGXURINAIPDZ-HIFRSBDPSA-N 1 0 386.323 2.577 20 0 GFADRO COc1cc(C[NH2+][C@H]2CCCOCC2)cc(I)c1OC ZINC000181029691 552243737 /nfs/dbraw/zinc/24/37/37/552243737.db2.gz HJUWSNKBMHMDEC-LBPRGKRZSA-N 1 0 391.249 2.967 20 0 GFADRO Brc1ccc(-c2nnc(CN[C@H]3CC[N@@H+]4CCC[C@@H]4C3)[nH]2)cc1 ZINC000181275879 552251827 /nfs/dbraw/zinc/25/18/27/552251827.db2.gz RYAZPIJVOGQNLM-LSDHHAIUSA-N 1 0 376.302 2.951 20 0 GFADRO COCc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1Br)CC2 ZINC000181299551 552252785 /nfs/dbraw/zinc/25/27/85/552252785.db2.gz MYTDZQGJLVLMFA-JQWIXIFHSA-N 1 0 383.265 2.992 20 0 GFADRO Cc1nc(Br)ccc1NC(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000181303094 552252970 /nfs/dbraw/zinc/25/29/70/552252970.db2.gz QNMDDTCEYMOYRB-CQSZACIVSA-N 1 0 397.317 2.729 20 0 GFADRO CCn1c(SCCC[NH+]2CCN(C)CC2)nc2sc(C)c(C)c2c1=O ZINC000181300197 552253019 /nfs/dbraw/zinc/25/30/19/552253019.db2.gz DABQYHDAPRVRPQ-UHFFFAOYSA-N 1 0 380.583 2.824 20 0 GFADRO CS(=O)(=O)[C@H]1CCCC[C@H]1[NH2+]CCNc1cccc(Br)c1 ZINC000181357442 552253884 /nfs/dbraw/zinc/25/38/84/552253884.db2.gz PWZGNRYERISHIR-CABCVRRESA-N 1 0 375.332 2.806 20 0 GFADRO OCC[C@@H]([NH2+]Cc1nnnn1-c1ccccc1Br)C1CCCCC1 ZINC000181492367 552258176 /nfs/dbraw/zinc/25/81/76/552258176.db2.gz MPNIIWKOUDUOPO-OAHLLOKOSA-N 1 0 394.317 2.846 20 0 GFADRO O=C([C@@H]1CCC[N@@H+](CCCc2ccccc2Br)C1)N1CCOCC1 ZINC000181522693 552259403 /nfs/dbraw/zinc/25/94/03/552259403.db2.gz PSTFAJFBTPWDJM-QGZVFWFLSA-N 1 0 395.341 2.953 20 0 GFADRO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CC1(CO)CCOCC1 ZINC000181566405 552261393 /nfs/dbraw/zinc/26/13/93/552261393.db2.gz KSAIDMGSKFLJJX-CYBMUJFWSA-N 1 0 385.302 2.545 20 0 GFADRO O=S(=O)(C[C@@H](O)C[NH2+][C@H]1CSCCc2ccccc21)c1cccs1 ZINC000181641051 552263435 /nfs/dbraw/zinc/26/34/35/552263435.db2.gz CJUSNJVZMGOANQ-HOCLYGCPSA-N 1 0 383.560 2.503 20 0 GFADRO O=S(=O)(C[C@H](O)C[NH2+][C@H]1CCSc2ccc(F)cc21)c1cccs1 ZINC000181641761 552263563 /nfs/dbraw/zinc/26/35/63/552263563.db2.gz CELLTRQFYSNRMS-OCCSQVGLSA-N 1 0 387.523 2.849 20 0 GFADRO C[C@H]([NH2+]C[C@H](O)CS(=O)(=O)c1cccs1)c1cnc2ccsc2c1 ZINC000181636316 552263706 /nfs/dbraw/zinc/26/37/06/552263706.db2.gz ULSPCGMNQWSMHF-AAEUAGOBSA-N 1 0 382.532 2.843 20 0 GFADRO CS(=O)(=O)N1CCC[C@@H]1C[NH2+][C@H]1CCc2ccc(OC(F)(F)F)cc21 ZINC000181691388 552265226 /nfs/dbraw/zinc/26/52/26/552265226.db2.gz BLJJJIPZAXQDPJ-DOMZBBRYSA-N 1 0 378.416 2.586 20 0 GFADRO CCO[C@H](CC[NH+](C)C)CNS(=O)(=O)Cc1ccc(Cl)cc1Cl ZINC000181705079 552266031 /nfs/dbraw/zinc/26/60/31/552266031.db2.gz ZBFRXQWEEMSMQH-CQSZACIVSA-N 1 0 383.341 2.770 20 0 GFADRO Cc1c([C@H](C)[NH2+]CC2CCS(=O)(=O)CC2)nnn1-c1cccc(Cl)c1 ZINC000181761315 552266910 /nfs/dbraw/zinc/26/69/10/552266910.db2.gz BNZVGEXZZKUWFY-LBPRGKRZSA-N 1 0 382.917 2.705 20 0 GFADRO CC(C)Cn1cc(C[NH2+]C[C@H](O)COc2ccccc2Br)cn1 ZINC000181802318 552268146 /nfs/dbraw/zinc/26/81/46/552268146.db2.gz YHBSQDAOHUCKGY-HNNXBMFYSA-N 1 0 382.302 2.831 20 0 GFADRO C[C@@H](Cn1cc(Br)cn1)[NH2+]C[C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000181812905 552268374 /nfs/dbraw/zinc/26/83/74/552268374.db2.gz AWUDZQJYZLQXRP-GOEBONIOSA-N 1 0 391.313 2.672 20 0 GFADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)Cc2ccc(Br)cc2C)CC1 ZINC000181882657 552269795 /nfs/dbraw/zinc/26/97/95/552269795.db2.gz GCZLVZWCZRVOLZ-HNNXBMFYSA-N 1 0 396.373 2.690 20 0 GFADRO C[C@H]([NH2+][C@H](CC(N)=O)C1CCOCC1)C(=O)Nc1cccc(Cl)c1Cl ZINC000181930895 552270905 /nfs/dbraw/zinc/27/09/05/552270905.db2.gz IMKYITVLABYSKM-IINYFYTJSA-N 1 0 388.295 2.581 20 0 GFADRO CC1(C)[C@H]([NH2+]C[C@H](O)COc2ccccc2Br)[C@H]2CCCO[C@@H]21 ZINC000182022702 552273506 /nfs/dbraw/zinc/27/35/06/552273506.db2.gz FOEBGTNCDDXBEV-IXKJSCDLSA-N 1 0 384.314 2.982 20 0 GFADRO CN(C)C(=O)[C@@H]1CC[C@H](C[NH2+]CC2=Cc3cc(Cl)cc(Cl)c3OC2)O1 ZINC000182036770 552273674 /nfs/dbraw/zinc/27/36/74/552273674.db2.gz YUQUXZBGAQXDOS-ZBFHGGJFSA-N 1 0 385.291 2.995 20 0 GFADRO COc1ccc(Cl)cc1N1CC[C@H]([NH2+][C@@H]2CCCC[C@@H]2S(C)(=O)=O)C1 ZINC000182172963 552277043 /nfs/dbraw/zinc/27/70/43/552277043.db2.gz MJWGKBVBHCPLGS-DAYGRLMNSA-N 1 0 386.945 2.873 20 0 GFADRO COC(=O)c1ccc(C[NH2+]CCNC(=O)c2cccc(Br)c2)cc1 ZINC000182206021 552278258 /nfs/dbraw/zinc/27/82/58/552278258.db2.gz JATWMLUNMRHEJG-UHFFFAOYSA-N 1 0 391.265 2.755 20 0 GFADRO C[C@H](C[S@@](C)=O)NC(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000182533262 552286469 /nfs/dbraw/zinc/28/64/69/552286469.db2.gz XZQJHAHDHDFZRC-DLUDVSRJSA-N 1 0 385.961 2.618 20 0 GFADRO CC[N@H+](CCNC(=O)Nc1ccc(Br)c(C(=O)OC)c1)C1CC1 ZINC000182562909 552287873 /nfs/dbraw/zinc/28/78/73/552287873.db2.gz DOVMERWSLFTZHB-UHFFFAOYSA-N 1 0 384.274 2.842 20 0 GFADRO CCS(=O)(=O)C[C@H](C)[NH2+]C[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000182624552 552288785 /nfs/dbraw/zinc/28/87/85/552288785.db2.gz ODSZOGNCWCBMPF-KBPBESRZSA-N 1 0 389.359 2.688 20 0 GFADRO Fc1cc(CN2CC[NH+](CCCn3ccnc3)CC2)ccc1Br ZINC000182863880 552295137 /nfs/dbraw/zinc/29/51/37/552295137.db2.gz CXTHCRBWCCYVKL-UHFFFAOYSA-N 1 0 381.293 2.993 20 0 GFADRO CC[C@H](C)[C@@H](C)[NH2+][C@@H](C)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000183088817 552299759 /nfs/dbraw/zinc/29/97/59/552299759.db2.gz LLPUVHNOIROADB-XQQFMLRXSA-N 1 0 389.949 2.942 20 0 GFADRO C[C@H]([NH2+][C@H]1CCN(c2ccc(Cl)cc2)C1)c1ccc(S(N)(=O)=O)cc1 ZINC000183337207 552306305 /nfs/dbraw/zinc/30/63/05/552306305.db2.gz OTZQCSNWLUKNLX-BBRMVZONSA-N 1 0 379.913 2.917 20 0 GFADRO OC[C@@H]([NH2+]C[C@@H](O)COc1ccc(F)cc1)c1cccc(Br)c1 ZINC000183884415 552321566 /nfs/dbraw/zinc/32/15/66/552321566.db2.gz BIZNKUZPKVEKTJ-NVXWUHKLSA-N 1 0 384.245 2.651 20 0 GFADRO OC[C@@H]([NH2+]C[C@@H](O)COCc1cccs1)c1cccc(Br)c1 ZINC000183910825 552322693 /nfs/dbraw/zinc/32/26/93/552322693.db2.gz YKWODXKTGMBFQD-GDBMZVCRSA-N 1 0 386.311 2.711 20 0 GFADRO CC[N@H+](CCO)CCNC(=O)c1ccc(Br)cc1C(F)(F)F ZINC000184006727 552325196 /nfs/dbraw/zinc/32/51/96/552325196.db2.gz HETOOCVOOTUWBV-UHFFFAOYSA-N 1 0 383.208 2.512 20 0 GFADRO O[C@@H](COc1ccc(Cl)cc1Cl)C[N@@H+]1CCOCC2(CCOCC2)C1 ZINC000184104572 552327545 /nfs/dbraw/zinc/32/75/45/552327545.db2.gz YAJDJLLKVDTKIL-OAHLLOKOSA-N 1 0 390.307 2.862 20 0 GFADRO CC(C)(O)C[NH+]1CCN(C(=O)Nc2ccc(Cl)cc2OC(F)F)CC1 ZINC000184378028 552333995 /nfs/dbraw/zinc/33/39/95/552333995.db2.gz SQRJMBRZBQUFIJ-UHFFFAOYSA-N 1 0 377.819 2.862 20 0 GFADRO C[C@H]([NH2+]CC(=O)NCC(=O)Nc1ccccc1Br)C1CCCC1 ZINC000184654088 552341025 /nfs/dbraw/zinc/34/10/25/552341025.db2.gz ABQZXKBCXGIQNM-LBPRGKRZSA-N 1 0 382.302 2.672 20 0 GFADRO CCN(C)C(=O)C[NH2+]Cc1c(C)nn(-c2ccc(Br)cc2)c1C ZINC000185175292 552356527 /nfs/dbraw/zinc/35/65/27/552356527.db2.gz XFFTUGKJSFLPQT-UHFFFAOYSA-N 1 0 379.302 2.820 20 0 GFADRO CC[C@H]1[C@H](C)CC[N@@H+]1CC(=O)NCC(=O)Nc1ccccc1Br ZINC000185585059 552367076 /nfs/dbraw/zinc/36/70/76/552367076.db2.gz GHVLSLXUPUTZJI-DOMZBBRYSA-N 1 0 382.302 2.624 20 0 GFADRO Nc1c(Br)cc(Br)cc1C[NH2+]CCCn1ccnn1 ZINC000185897284 552373269 /nfs/dbraw/zinc/37/32/69/552373269.db2.gz LUZPTOGVSPWOKI-UHFFFAOYSA-N 1 0 389.095 2.565 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CNC(=O)c1ncc(Br)cc1Br ZINC000186391638 552387157 /nfs/dbraw/zinc/38/71/57/552387157.db2.gz NUHNFZHSFSRHEM-JTQLQIEISA-N 1 0 391.107 2.821 20 0 GFADRO CC[NH+](CC)CCCNC(=O)C(=O)Nc1ccc(Cl)cc1OC(F)F ZINC000187001696 552404187 /nfs/dbraw/zinc/40/41/87/552404187.db2.gz QBUSHZJJLWWJNR-UHFFFAOYSA-N 1 0 377.819 2.728 20 0 GFADRO Cc1cc(Br)cc(S(=O)(=O)N(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000187335569 552412900 /nfs/dbraw/zinc/41/29/00/552412900.db2.gz MJBSWNWKRIJHTG-WFASDCNBSA-N 1 0 375.332 2.718 20 0 GFADRO C[C@@H](NC(=O)c1coc(C[NH3+])c1)c1cc2c(cc1Br)OCCO2 ZINC000187454936 552415995 /nfs/dbraw/zinc/41/59/95/552415995.db2.gz XNSHXIGEAGOKFT-SECBINFHSA-N 1 0 381.226 2.763 20 0 GFADRO COc1cc(Br)ccc1C[NH2+][C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000187574732 552419441 /nfs/dbraw/zinc/41/94/41/552419441.db2.gz PRYLENDTCUZTLW-LLVKDONJSA-N 1 0 399.310 2.956 20 0 GFADRO CN(CC[N@H+](C)C1CC1)C(=O)C(=O)Nc1ccc(Br)c(Cl)c1 ZINC000187725233 552422673 /nfs/dbraw/zinc/42/26/73/552422673.db2.gz BRMJMMAMDKASQP-UHFFFAOYSA-N 1 0 388.693 2.594 20 0 GFADRO C[C@@H]1CN(Cc2csc(COc3ccc(Cl)cc3)n2)CC[N@@H+]1CCO ZINC000187715247 552422839 /nfs/dbraw/zinc/42/28/39/552422839.db2.gz UELAKQPPPQNVML-CQSZACIVSA-N 1 0 381.929 2.874 20 0 GFADRO C[C@@H]1CC[C@@](CO)([N@H+](C)CC(=O)N(C)Cc2ccccc2Br)C1 ZINC000188034733 552432342 /nfs/dbraw/zinc/43/23/42/552432342.db2.gz IWCGHAPVDNZLJP-RDTXWAMCSA-N 1 0 383.330 2.890 20 0 GFADRO O=C(Cc1cncs1)NC1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000188071046 552433475 /nfs/dbraw/zinc/43/34/75/552433475.db2.gz PFJUFRZZIZXZLG-UHFFFAOYSA-N 1 0 379.913 2.999 20 0 GFADRO CN(C(=O)c1nc(Br)ccc1Br)[C@H]1CCC[N@H+](C)C1 ZINC000188082386 552434151 /nfs/dbraw/zinc/43/41/51/552434151.db2.gz NYWIVCOHCOEXGB-VIFPVBQESA-N 1 0 391.107 2.773 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)NCC[N@@H+](C)C2CCCC2)cc1Br ZINC000188099683 552434993 /nfs/dbraw/zinc/43/49/93/552434993.db2.gz UKTTXGGHZNIIDB-UHFFFAOYSA-N 1 0 396.329 2.995 20 0 GFADRO Cc1cc(Br)cc(NC(=O)C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)c1 ZINC000188124400 552436171 /nfs/dbraw/zinc/43/61/71/552436171.db2.gz QXLQNVQVICGFKL-DZGCQCFKSA-N 1 0 382.302 2.685 20 0 GFADRO NS(=O)(=O)CCC[NH2+][C@H](CC1CC1)c1cc(F)cc(Br)c1 ZINC000188187230 552438774 /nfs/dbraw/zinc/43/87/74/552438774.db2.gz KPFLRPVELKCADE-CQSZACIVSA-N 1 0 379.295 2.698 20 0 GFADRO COc1cc(S(=O)(=O)N[C@@H](C)C[NH+]2CCCCC2)ccc1Br ZINC000188214017 552439199 /nfs/dbraw/zinc/43/91/99/552439199.db2.gz ZWLYLUYZKMCVLA-LBPRGKRZSA-N 1 0 391.331 2.610 20 0 GFADRO CC(C)[NH+]1CCN(CCCSc2nnc(NC[C@H]3CCCO3)s2)CC1 ZINC000188276931 552441300 /nfs/dbraw/zinc/44/13/00/552441300.db2.gz RJGVMUCAWFSMRJ-OAHLLOKOSA-N 1 0 385.603 2.637 20 0 GFADRO C[C@H]1CN(C(=O)c2cc3cc(Br)ccc3[nH]2)CC[N@@H+]1CC(C)(C)O ZINC000188650120 552450721 /nfs/dbraw/zinc/45/07/21/552450721.db2.gz HNWHSFIGCLRUQM-LBPRGKRZSA-N 1 0 394.313 2.848 20 0 GFADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)C1(c2ccccc2Br)CC1 ZINC000188746285 552453887 /nfs/dbraw/zinc/45/38/87/552453887.db2.gz FRYJIORIKYVLAL-OAHLLOKOSA-N 1 0 394.357 2.623 20 0 GFADRO CCN(CCC[NH+](C)C)C(=O)Cc1csc(NC(=O)c2cccs2)n1 ZINC000188955272 552459156 /nfs/dbraw/zinc/45/91/56/552459156.db2.gz QGDWUYLMJYRTNO-UHFFFAOYSA-N 1 0 380.539 2.800 20 0 GFADRO O=C(NC1CC[NH+](Cc2ccccn2)CC1)c1ncc(Br)s1 ZINC000189152982 552464485 /nfs/dbraw/zinc/46/44/85/552464485.db2.gz RXBRAEWDQSRXNF-UHFFFAOYSA-N 1 0 381.299 2.695 20 0 GFADRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NS(=O)(=O)c1sccc1Br ZINC000189148562 552464722 /nfs/dbraw/zinc/46/47/22/552464722.db2.gz NLXILZSQQHCJTK-GHMZBOCLSA-N 1 0 381.361 2.909 20 0 GFADRO C[N@H+](C[C@H](O)COc1ccc(C(F)(F)F)cc1)C[C@@H](O)CC(F)(F)F ZINC000189279381 552467578 /nfs/dbraw/zinc/46/75/78/552467578.db2.gz UMKGAFZXWGMMOQ-RYUDHWBXSA-N 1 0 375.309 2.690 20 0 GFADRO COC[C@H]1C[N@H+](CCC(=O)Nc2ccc(Br)cc2F)C[C@H](C)O1 ZINC000189434009 552471616 /nfs/dbraw/zinc/47/16/16/552471616.db2.gz CVUHFAVQEPAHHI-WCQYABFASA-N 1 0 389.265 2.653 20 0 GFADRO Cc1csc(C(=O)NC[C@H](C)[N@H+](C)C2CC2)c1I ZINC000191004162 552516387 /nfs/dbraw/zinc/51/63/87/552516387.db2.gz YKTZUWBPMGODRP-VIFPVBQESA-N 1 0 378.279 2.874 20 0 GFADRO Cc1csc(C(=O)NCC[NH+]2CCCCC2)c1I ZINC000189711229 552478251 /nfs/dbraw/zinc/47/82/51/552478251.db2.gz ICSNLIRNDYJPKD-UHFFFAOYSA-N 1 0 378.279 2.877 20 0 GFADRO Cc1cc([C@H](C)NS(=O)(=O)c2c(C)nn(CC[NH+](C)C)c2C)c(C)s1 ZINC000189789505 552479783 /nfs/dbraw/zinc/47/97/83/552479783.db2.gz WCCUSFQMOSLRGN-LBPRGKRZSA-N 1 0 384.571 2.779 20 0 GFADRO CCO[C@H]1C[C@@](CO)([NH2+]CC(=O)Nc2ccc(Br)cc2)C1(C)C ZINC000189967203 552483762 /nfs/dbraw/zinc/48/37/62/552483762.db2.gz VKKYREZJJXTFPE-YOEHRIQHSA-N 1 0 385.302 2.543 20 0 GFADRO CCO[C@@H]1C[C@](CO)([NH2+]CC(=O)Nc2ccc(Br)cc2)C1(C)C ZINC000189967220 552483942 /nfs/dbraw/zinc/48/39/42/552483942.db2.gz VKKYREZJJXTFPE-RHSMWYFYSA-N 1 0 385.302 2.543 20 0 GFADRO C[N@@H+](CC(=O)Nc1ccc(Br)cn1)CC1CCC2(CC1)OCCO2 ZINC000190217029 552490225 /nfs/dbraw/zinc/49/02/25/552490225.db2.gz UKCWDJKRTGVYCC-UHFFFAOYSA-N 1 0 398.301 2.648 20 0 GFADRO COC(=O)c1scc(C)c1S(=O)(=O)N(CC[NH+](C)C)C1CCCCC1 ZINC000190232686 552490481 /nfs/dbraw/zinc/49/04/81/552490481.db2.gz KMEISXSZUKVBRF-UHFFFAOYSA-N 1 0 388.555 2.728 20 0 GFADRO Cc1ccc(Br)cc1C[NH2+]Cc1cnc(N2CCN(C)CC2)nc1 ZINC000190295756 552491875 /nfs/dbraw/zinc/49/18/75/552491875.db2.gz AWPFKFIKMAHWNB-UHFFFAOYSA-N 1 0 390.329 2.589 20 0 GFADRO C[C@@H](CNC(=O)Nc1cc(F)cc(F)c1Br)CN1CCOCC1 ZINC000190616851 552503301 /nfs/dbraw/zinc/50/33/01/552503301.db2.gz GUXIKZFOPRLYMK-JTQLQIEISA-N 1 0 392.244 2.817 20 0 GFADRO CCN(CCC[NH+]1CCCC1)C(=O)C(=O)Nc1cccc(Br)c1 ZINC000190688796 552506268 /nfs/dbraw/zinc/50/62/68/552506268.db2.gz KLHJZVDZLKWKMO-UHFFFAOYSA-N 1 0 382.302 2.722 20 0 GFADRO C[N@H+](CCCO)C1CCN(C(=O)C2(c3ccccc3Br)CC2)CC1 ZINC000190897731 552512986 /nfs/dbraw/zinc/51/29/86/552512986.db2.gz AGTUDMGGKLGCKK-UHFFFAOYSA-N 1 0 395.341 2.786 20 0 GFADRO COc1ccc2c(c1)[C@@H]([NH2+]CCc1ccc(S(N)(=O)=O)cc1)CCS2 ZINC000191492279 552529747 /nfs/dbraw/zinc/52/97/47/552529747.db2.gz FQGRIGZSNIELGB-KRWDZBQOSA-N 1 0 378.519 2.712 20 0 GFADRO Brc1ccc(CN2CC[N@@H+]3CCC[C@@H]3C2)c(N2CCOCC2)c1 ZINC000191670586 552534525 /nfs/dbraw/zinc/53/45/25/552534525.db2.gz OQYCHTMPUXGELQ-QGZVFWFLSA-N 1 0 380.330 2.566 20 0 GFADRO CO[C@@H](C)[C@H](C)[NH2+][C@H](C)C(=O)Nc1ccc(I)cc1 ZINC000191721236 552536030 /nfs/dbraw/zinc/53/60/30/552536030.db2.gz ZMXLVGBYXGDBTR-AXFHLTTASA-N 1 0 376.238 2.631 20 0 GFADRO CCN(CCC[NH2+]Cc1ccc(Br)c(Cl)c1)S(C)(=O)=O ZINC000192166407 552554241 /nfs/dbraw/zinc/55/42/41/552554241.db2.gz RVRWYCGKIJHPQH-UHFFFAOYSA-N 1 0 383.739 2.864 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)Cc2ccc(I)cc2)C1 ZINC000192053754 552547757 /nfs/dbraw/zinc/54/77/57/552547757.db2.gz CKYXKGVXVISGIO-LSDHHAIUSA-N 1 0 386.277 2.823 20 0 GFADRO O=C(Nc1cccc(Cl)c1Br)C(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000192053401 552547759 /nfs/dbraw/zinc/54/77/59/552547759.db2.gz DGXYWBMWBLSBIJ-NSHDSACASA-N 1 0 398.688 2.514 20 0 GFADRO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)Nc2cc(Cl)c(Cl)cc2OC)C1 ZINC000192062077 552548297 /nfs/dbraw/zinc/54/82/97/552548297.db2.gz QASYQIVEJVIUJH-LLVKDONJSA-N 1 0 388.295 2.883 20 0 GFADRO CC[N@H+](C)C[C@@H]1CCN([C@@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000192074027 552549597 /nfs/dbraw/zinc/54/95/97/552549597.db2.gz SPWJRWMVGUNONQ-WMLDXEAASA-N 1 0 380.330 2.828 20 0 GFADRO CN1CC[NH+](CC2CCN(C(=O)NCCc3ccc(Cl)s3)CC2)CC1 ZINC000192155439 552553513 /nfs/dbraw/zinc/55/35/13/552553513.db2.gz NYZDZKDZCFJOJX-UHFFFAOYSA-N 1 0 384.977 2.613 20 0 GFADRO Cn1nc(Br)cc1C(=O)N(CC[NH+](C)C)Cc1cccc(F)c1 ZINC000192310066 552559527 /nfs/dbraw/zinc/55/95/27/552559527.db2.gz GPPOADMLQIHYHK-UHFFFAOYSA-N 1 0 383.265 2.526 20 0 GFADRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)c1cc(Br)nn1C ZINC000192345098 552561014 /nfs/dbraw/zinc/56/10/14/552561014.db2.gz HCJNQPXTQWITOK-AWEZNQCLSA-N 1 0 391.313 2.919 20 0 GFADRO C[NH2+]C[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)c(Br)c2)C1 ZINC000192389473 552561494 /nfs/dbraw/zinc/56/14/94/552561494.db2.gz HZLMKODHDAURCV-JTQLQIEISA-N 1 0 381.723 2.723 20 0 GFADRO Cc1nc(NC(=O)C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)sc1C ZINC000192511067 552565540 /nfs/dbraw/zinc/56/55/40/552565540.db2.gz RKLFENGCSNNCFS-ZDUSSCGKSA-N 1 0 378.523 2.713 20 0 GFADRO C[N@H+]1C[C@H]2CN(C(=O)c3cc(Br)ccc3Br)C[C@H]2C1 ZINC000192535968 552566242 /nfs/dbraw/zinc/56/62/42/552566242.db2.gz RAKPHKRFTZXACQ-AOOOYVTPSA-N 1 0 388.103 2.845 20 0 GFADRO COc1cc(Cl)c(S(=O)(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)cc1OC ZINC000192816657 552974415 /nfs/dbraw/zinc/97/44/15/552974415.db2.gz JSVWPQKGNJDSKX-CYBMUJFWSA-N 1 0 390.933 2.756 20 0 GFADRO COc1ccc(C)cc1S(=O)(=O)NCC1(N2CCSCC2)CCCC1 ZINC000192918734 552977908 /nfs/dbraw/zinc/97/79/08/552977908.db2.gz GUJFBDUMNAXZDK-UHFFFAOYSA-N 1 0 384.567 2.644 20 0 GFADRO O=S(=O)(C(F)F)N1CCC(C[NH2+]Cc2cnc(-c3ccco3)s2)CC1 ZINC000193101520 552983686 /nfs/dbraw/zinc/98/36/86/552983686.db2.gz JPCAKROLZBVAED-UHFFFAOYSA-N 1 0 391.465 2.757 20 0 GFADRO O=C(NCC[NH+]1CCCC1)[C@@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1 ZINC000193160037 552985182 /nfs/dbraw/zinc/98/51/82/552985182.db2.gz NBHOIMYBXXARRC-INIZCTEOSA-N 1 0 384.307 2.810 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCCN(S(=O)(=O)c2cc(Cl)c(Br)cc2F)C1 ZINC000193285059 552989080 /nfs/dbraw/zinc/98/90/80/552989080.db2.gz LRADOSNHDYOBLC-IUCAKERBSA-N 1 0 399.713 2.990 20 0 GFADRO CC1(NC(=O)c2ccc(Cl)c(I)c2)CC[NH2+]CC1 ZINC000193393038 552992432 /nfs/dbraw/zinc/99/24/32/552992432.db2.gz LFOKFOPXFYCHQC-UHFFFAOYSA-N 1 0 378.641 2.817 20 0 GFADRO O=S(=O)(c1ccc(Cl)cc1)N1CCN(CCC[NH+]2CCCCC2)CC1 ZINC000193456330 552994157 /nfs/dbraw/zinc/99/41/57/552994157.db2.gz UVQLMOZKORIYRW-UHFFFAOYSA-N 1 0 385.961 2.522 20 0 GFADRO Cc1cc(Br)cc(Cl)c1NC(=O)C(=O)NC1CC[NH+](C)CC1 ZINC000193515216 552995581 /nfs/dbraw/zinc/99/55/81/552995581.db2.gz KDFJGUQJDOLNNB-UHFFFAOYSA-N 1 0 388.693 2.560 20 0 GFADRO CNc1nnc(SCC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)s1 ZINC000193707324 553000977 /nfs/dbraw/zinc/00/09/77/553000977.db2.gz AXNXQMBGOAUDMB-UHFFFAOYSA-N 1 0 377.539 2.584 20 0 GFADRO O=S(=O)(c1c(F)c(F)cc(F)c1F)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000193777091 553002617 /nfs/dbraw/zinc/00/26/17/553002617.db2.gz RIEWGKKQGOYYSB-LLVKDONJSA-N 1 0 380.407 2.740 20 0 GFADRO COCC[N@H+](C)CCCNC(=O)N(C)Cc1ccc(Br)s1 ZINC000194142059 553012643 /nfs/dbraw/zinc/01/26/43/553012643.db2.gz GVBZNQILQLSIGA-UHFFFAOYSA-N 1 0 378.336 2.620 20 0 GFADRO O=C(NC1CC[NH+](CC2CC2)CC1)c1cc2c(c(Br)c1)OCO2 ZINC000194178479 553014067 /nfs/dbraw/zinc/01/40/67/553014067.db2.gz ZGPIQZGYEJJIMS-UHFFFAOYSA-N 1 0 381.270 2.782 20 0 GFADRO C=Cn1cc(C[NH2+]Cc2ccc(Br)cc2N2CCOCC2)cn1 ZINC000194377128 553019168 /nfs/dbraw/zinc/01/91/68/553019168.db2.gz FKBAAPJYPHMCIZ-UHFFFAOYSA-N 1 0 377.286 2.873 20 0 GFADRO C[C@H]([NH2+]CCOc1ccc(S(N)(=O)=O)cc1)c1ccc(Br)cc1 ZINC000195023932 553036347 /nfs/dbraw/zinc/03/63/47/553036347.db2.gz UEGMZLKPTBPZKC-LBPRGKRZSA-N 1 0 399.310 2.826 20 0 GFADRO CCN1CC[NH+](CCCCNC(=O)NCc2ccccc2Br)CC1 ZINC000195166296 553040380 /nfs/dbraw/zinc/04/03/80/553040380.db2.gz FFVZBKLPHLDYHW-UHFFFAOYSA-N 1 0 397.361 2.666 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)c1ccc(F)cc1I ZINC000226194105 553060702 /nfs/dbraw/zinc/06/07/02/553060702.db2.gz BKTPPGNDRXBIPK-ZANVPECISA-N 1 0 376.213 2.772 20 0 GFADRO CCCN(C1CC[NH2+]CC1)S(=O)(=O)c1ccc(Br)c(F)c1 ZINC000227927570 553063239 /nfs/dbraw/zinc/06/32/39/553063239.db2.gz GMEQPRCOUUFLQF-UHFFFAOYSA-N 1 0 379.295 2.741 20 0 GFADRO COCC[N@@H+]1CCCN(C(=O)c2cc(Cl)cc(Br)c2)CC1 ZINC000227765529 553063423 /nfs/dbraw/zinc/06/34/23/553063423.db2.gz LIZIXBBZYLZCFM-UHFFFAOYSA-N 1 0 375.694 2.897 20 0 GFADRO CSC[C@@](C)(O)C[NH2+]Cc1ncc(Br)cc1Br ZINC000229603675 553064339 /nfs/dbraw/zinc/06/43/39/553064339.db2.gz MRJPXXUFEBNLHY-NSHDSACASA-N 1 0 384.137 2.810 20 0 GFADRO CCC(CC)(C[NH3+])C(=O)NCCc1ccc(I)s1 ZINC000236670339 553070617 /nfs/dbraw/zinc/07/06/17/553070617.db2.gz CLYDSOVYWOHOIW-UHFFFAOYSA-N 1 0 380.295 2.777 20 0 GFADRO O=C(NCCOc1ccc(Br)cc1)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000236730892 553071157 /nfs/dbraw/zinc/07/11/57/553071157.db2.gz XAPXZMNMPTZLKP-QGZVFWFLSA-N 1 0 375.266 2.659 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)N[C@H]1CCC[C@@H]1C[NH3+] ZINC000236829930 553072056 /nfs/dbraw/zinc/07/20/56/553072056.db2.gz SGSQIWFSGVIAGO-KFWWJZLASA-N 1 0 384.567 2.595 20 0 GFADRO CCOc1ccc(S(=O)(=O)N2CCCC[C@@H]2[C@@H](C)[NH3+])cc1Br ZINC000236861269 553072469 /nfs/dbraw/zinc/07/24/69/553072469.db2.gz CSVIFNSGABNAQD-BXUZGUMPSA-N 1 0 391.331 2.738 20 0 GFADRO CCOc1cc(C[NH2+]C[C@H]2CCS(=O)(=O)C2)ccc1OCC(F)(F)F ZINC000236956593 553072787 /nfs/dbraw/zinc/07/27/87/553072787.db2.gz OZALBYNHDJEOBG-CYBMUJFWSA-N 1 0 381.416 2.551 20 0 GFADRO CCN(CC)S(=O)(=O)c1cc(NC(=O)c2ccc(C[NH3+])o2)ccc1Cl ZINC000236977488 553073487 /nfs/dbraw/zinc/07/34/87/553073487.db2.gz QFSUBZPOFISTCB-UHFFFAOYSA-N 1 0 385.873 2.675 20 0 GFADRO Cc1c(C(=O)N(C)Cc2ccc(Br)cc2)nnn1C1CC[NH2+]CC1 ZINC000237259248 553076442 /nfs/dbraw/zinc/07/64/42/553076442.db2.gz QOGMHWGKVSANKF-UHFFFAOYSA-N 1 0 392.301 2.546 20 0 GFADRO C[C@@H](NC(=O)[C@@H]1C[NH2+]CCO1)c1nc(-c2ccc(Br)cc2)cs1 ZINC000237363551 553076940 /nfs/dbraw/zinc/07/69/40/553076940.db2.gz TUPCGXZGRBCBFR-YGRLFVJLSA-N 1 0 396.310 2.738 20 0 GFADRO C[NH2+]C[C@H]1CCCN(C(=O)[C@H]2CC(=O)N(c3cc(Cl)cc(Cl)c3)C2)C1 ZINC000237337090 553077321 /nfs/dbraw/zinc/07/73/21/553077321.db2.gz MDMZATFQMAIVKE-OLZOCXBDSA-N 1 0 384.307 2.804 20 0 GFADRO C[C@@H]1CCCN(S(=O)(=O)c2cc(Br)ccc2Cl)[C@@H]1C[NH3+] ZINC000237555705 553078686 /nfs/dbraw/zinc/07/86/86/553078686.db2.gz RRNXUAIZZVWCAA-BXKDBHETSA-N 1 0 381.723 2.850 20 0 GFADRO Cc1c(C(=O)N2CCCC[C@@H]2[C@H](C)[NH3+])nnn1-c1cccc(Br)c1 ZINC000237570625 553079416 /nfs/dbraw/zinc/07/94/16/553079416.db2.gz UGYNUAVHMFCRLE-XHDPSFHLSA-N 1 0 392.301 2.680 20 0 GFADRO C[C@H]1C[C@H]([NH3+])CCN1C(=O)c1cc(F)c(F)cc1I ZINC000237615148 553079891 /nfs/dbraw/zinc/07/98/91/553079891.db2.gz MKJWQWDFYNJMEF-JGVFFNPUSA-N 1 0 380.176 2.521 20 0 GFADRO Cc1nc(-c2ccc(Cl)s2)sc1C(=O)NCCCN1CC[NH2+]CC1 ZINC000237684112 553080519 /nfs/dbraw/zinc/08/05/19/553080519.db2.gz XRHNAHQBNUNNIB-UHFFFAOYSA-N 1 0 384.958 2.859 20 0 GFADRO [NH3+]C1(CNC(=O)[C@@H]2CCN(c3ccccc3Br)C2=O)CCCCC1 ZINC000237756525 553081791 /nfs/dbraw/zinc/08/17/91/553081791.db2.gz KQZGABLVEURPQS-ZDUSSCGKSA-N 1 0 394.313 2.580 20 0 GFADRO O=C(c1cccn1-c1cccc(I)c1)N1CCC[NH2+]CC1 ZINC000237814365 553082409 /nfs/dbraw/zinc/08/24/09/553082409.db2.gz RCRWFSOHUHLCIB-UHFFFAOYSA-N 1 0 395.244 2.517 20 0 GFADRO [NH3+]CC1CCN(C(=O)C2(c3ccc(Br)cc3)CCOCC2)CC1 ZINC000237795741 553082485 /nfs/dbraw/zinc/08/24/85/553082485.db2.gz MBCCZXLZLAZYPO-UHFFFAOYSA-N 1 0 381.314 2.695 20 0 GFADRO [NH3+][C@H]1CCC[C@@H](C(=O)NCCc2ccc(I)s2)C1 ZINC000237907882 553084132 /nfs/dbraw/zinc/08/41/32/553084132.db2.gz YBLGGHQXLAIWOJ-ZJUUUORDSA-N 1 0 378.279 2.529 20 0 GFADRO O=C(Nc1nc(C2CC2)c(Cc2ccccc2Cl)s1)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000238016126 553085303 /nfs/dbraw/zinc/08/53/03/553085303.db2.gz AQAYRHHINIHXEO-TZMCWYRMSA-N 1 0 377.897 2.926 20 0 GFADRO [NH3+]C[C@H]1CCC[C@@H]1NC(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1 ZINC000238060116 553085539 /nfs/dbraw/zinc/08/55/39/553085539.db2.gz TVIVACITVLBNRX-CJNGLKHVSA-N 1 0 384.929 2.670 20 0 GFADRO C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000245395765 553089316 /nfs/dbraw/zinc/08/93/16/553089316.db2.gz IWTXDHWUIOBBQT-CRAIPNDOSA-N 1 0 394.357 2.966 20 0 GFADRO C[C@H](C(=O)NCC(=O)Nc1ccc(Br)cc1)[NH+]1[C@H](C)CC[C@H]1C ZINC000245202561 553089580 /nfs/dbraw/zinc/08/95/80/553089580.db2.gz SYXFTIYYRCZQCO-JHJVBQTASA-N 1 0 382.302 2.765 20 0 GFADRO COC(=O)C[C@H]1CSCCN1[C@H]1CCN(c2ccc(F)c(Cl)c2)C1=O ZINC000245554615 553092678 /nfs/dbraw/zinc/09/26/78/553092678.db2.gz AZYMQUANOSOYJX-WFASDCNBSA-N 1 0 386.876 2.565 20 0 GFADRO C[N@@H+]1CC[C@H](CNC(=O)NCCC[S@@](C)=O)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245664480 553094968 /nfs/dbraw/zinc/09/49/68/553094968.db2.gz GRVOLZPZEWMWCT-PDSQGNSUSA-N 1 0 389.924 2.540 20 0 GFADRO NC(=O)[C@H]([NH2+][C@@H]1CCO[C@@]2(CCSC2)C1)c1cccc(Br)c1 ZINC000245681391 553095154 /nfs/dbraw/zinc/09/51/54/553095154.db2.gz MQLRNFIHZCEQGY-FMKPAKJESA-N 1 0 385.327 2.620 20 0 GFADRO CCS(=O)(=O)C[C@H](C)[NH2+]C[C@@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000246027998 553101211 /nfs/dbraw/zinc/10/12/11/553101211.db2.gz LJSOVBDDAJZVLN-JDFRZJQESA-N 1 0 376.925 2.885 20 0 GFADRO O=C(C[C@H]1CCC[NH2+]1)N[C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000246174741 553103730 /nfs/dbraw/zinc/10/37/30/553103730.db2.gz BNYMHXYPMQVLGH-NEPJUHHUSA-N 1 0 376.810 2.591 20 0 GFADRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)S(=O)(=O)c1cc(Br)ccc1F ZINC000246269307 553105074 /nfs/dbraw/zinc/10/50/74/553105074.db2.gz UVVRXGZNSNQCIT-GXFFZTMASA-N 1 0 379.295 2.549 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)Nc2cccc(Br)c2)CC1=O ZINC000246418676 553107870 /nfs/dbraw/zinc/10/78/70/553107870.db2.gz LSLLKWSIIRTILN-XJKSGUPXSA-N 1 0 394.313 2.720 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCO[C@@]2(CCSC2)C1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000246511208 553109363 /nfs/dbraw/zinc/10/93/63/553109363.db2.gz UDPQRYLCPPHNQO-LESCRADOSA-N 1 0 384.567 2.642 20 0 GFADRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)Nc1cc(Br)cn(C)c1=O ZINC000246578134 553110048 /nfs/dbraw/zinc/11/00/48/553110048.db2.gz VZUSLKRXYRVRNM-XQQFMLRXSA-N 1 0 399.333 2.636 20 0 GFADRO O=C([C@@H]1C[C@@H]1c1ccc(Br)cc1)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246703840 553112158 /nfs/dbraw/zinc/11/21/58/553112158.db2.gz KFMRVTWIWMCFBK-BMGDILEWSA-N 1 0 393.325 2.733 20 0 GFADRO CC[C@@H]1CN(C(=O)c2cc3cc(Br)ccc3[nH]2)CC[N@@H+]1C[C@H](C)O ZINC000246753621 553112576 /nfs/dbraw/zinc/11/25/76/553112576.db2.gz HEZRGXSQEMPSQI-SWLSCSKDSA-N 1 0 394.313 2.848 20 0 GFADRO C[N@@H+]1CCC[C@@H]2CN([C@H](C(N)=O)c3ccc(Br)cc3F)CC[C@H]21 ZINC000246768222 553112668 /nfs/dbraw/zinc/11/26/68/553112668.db2.gz HZJPJCWOPIOBAW-LYRGGWFBSA-N 1 0 384.293 2.531 20 0 GFADRO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C[C@@H]1Sc2ccc(Cl)cc2NC1=O ZINC000246992972 553116731 /nfs/dbraw/zinc/11/67/31/553116731.db2.gz HYLHQTXSMSILDR-HOCLYGCPSA-N 1 0 381.929 2.942 20 0 GFADRO C[N@@H+]1CCC[C@@H](CNC(=O)[C@]23CCC(=O)N2c2cc(Cl)ccc2S3)C1 ZINC000247056868 553118076 /nfs/dbraw/zinc/11/80/76/553118076.db2.gz GPNCVANOBDKWTA-KPZWWZAWSA-N 1 0 379.913 2.727 20 0 GFADRO O=C(Nc1cc(Cl)cc(Cl)c1)[C@@H]1CCC[N@H+]1C[C@@H](O)Cn1cccn1 ZINC000247593878 553124315 /nfs/dbraw/zinc/12/43/15/553124315.db2.gz JZEJILGTWCQXHI-CVEARBPZSA-N 1 0 383.279 2.654 20 0 GFADRO CCC[NH+]1CCC(NS(=O)(=O)c2cc(Br)ccc2OC)CC1 ZINC000248021911 553127219 /nfs/dbraw/zinc/12/72/19/553127219.db2.gz JAQKRXHOIXDYFW-UHFFFAOYSA-N 1 0 391.331 2.610 20 0 GFADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3cc(Br)c4c(c3)OCCO4)CC[C@H]21 ZINC000248006726 553127143 /nfs/dbraw/zinc/12/71/43/553127143.db2.gz KVZPAJHOWIBYTL-IUODEOHRSA-N 1 0 395.297 2.777 20 0 GFADRO O[C@H](COc1ccc(Br)cc1)C[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000248147657 553127541 /nfs/dbraw/zinc/12/75/41/553127541.db2.gz QIZFDPKZAJZQAV-HFTRVMKXSA-N 1 0 384.314 2.816 20 0 GFADRO CCC[N@@H+]1CC[C@H](CNC(=O)N[C@H](CO)c2cccc(Br)c2)C1 ZINC000248174957 553127844 /nfs/dbraw/zinc/12/78/44/553127844.db2.gz VKKUARMRJFBFHP-CZUORRHYSA-N 1 0 384.318 2.514 20 0 GFADRO [NH3+][C@@H]1CC[C@@H]2CN(S(=O)(=O)c3c(Cl)cc(F)cc3Br)C[C@H]12 ZINC000248629053 553132001 /nfs/dbraw/zinc/13/20/01/553132001.db2.gz OQEUHYAVSPLIKS-VFWDIBGWSA-N 1 0 397.697 2.599 20 0 GFADRO C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@@H]2CCSc3ccc(Cl)cc32)C[C@@H]1C ZINC000248654343 553132575 /nfs/dbraw/zinc/13/25/75/553132575.db2.gz VVNNNOXIDFQJJI-HEHGZKQESA-N 1 0 383.945 2.973 20 0 GFADRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)[C@H]2Cc3cc(Br)ccc3O2)C1 ZINC000248784277 553135148 /nfs/dbraw/zinc/13/51/48/553135148.db2.gz VZAIVVQHSZZAQR-XGWLTEMNSA-N 1 0 379.298 2.695 20 0 GFADRO Cc1cc(S(=O)(=O)N2CCC[C@@H]2CN2C[C@@H](C)O[C@H](C)C2)sc1Cl ZINC000248993086 553137892 /nfs/dbraw/zinc/13/78/92/553137892.db2.gz YUZIOLPAAGDDCH-MGPQQGTHSA-N 1 0 392.974 2.972 20 0 GFADRO C[C@@H](NC(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C)c1cccc(Br)c1 ZINC000249091368 553139135 /nfs/dbraw/zinc/13/91/35/553139135.db2.gz HBGVUKIQHTUOLJ-ZIAGYGMSSA-N 1 0 398.345 2.997 20 0 GFADRO Cc1ccc(NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1Br ZINC000249219600 553141061 /nfs/dbraw/zinc/14/10/61/553141061.db2.gz UGTRDWWOQXSTGE-GXTWGEPZSA-N 1 0 382.302 2.637 20 0 GFADRO C[C@H](Oc1ccccc1Br)C(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C ZINC000249407594 553143038 /nfs/dbraw/zinc/14/30/38/553143038.db2.gz URCUWSODIVHCLU-KGLIPLIRSA-N 1 0 399.329 2.520 20 0 GFADRO CC[C@H]1CN(S(=O)(=O)c2ccc(Br)cc2Cl)CC[C@H]1[NH3+] ZINC000251875924 553148980 /nfs/dbraw/zinc/14/89/80/553148980.db2.gz UVGCRBQQMRFTPT-JOYOIKCWSA-N 1 0 381.723 2.850 20 0 GFADRO CN1CCO[C@H]([C@@H](NCc2cc(C(N)=O)cs2)c2ccc(Cl)cc2)C1 ZINC000252735698 553150427 /nfs/dbraw/zinc/15/04/27/553150427.db2.gz PNZYKFLXTBFCKR-IRXDYDNUSA-N 1 0 379.913 2.662 20 0 GFADRO CS(=O)(=O)N[C@@H]1CCC[N@H+](CC/C=C\c2ccc(Br)cc2)C1 ZINC000255687790 553152552 /nfs/dbraw/zinc/15/25/52/553152552.db2.gz BEAFPCBNANGYFU-SVERHTFXSA-N 1 0 387.343 2.866 20 0 GFADRO C[N@@H+]1CCC[C@H](N2CCN(c3ncnc4ccc(Br)cc43)CC2)C1 ZINC000261420877 553153534 /nfs/dbraw/zinc/15/35/34/553153534.db2.gz HBCNLFXRTKTQSR-HNNXBMFYSA-N 1 0 390.329 2.609 20 0 GFADRO C[C@]([NH3+])(C(=O)N1CCN(c2ccccc2)CC1)c1ccc(Br)cc1 ZINC000261616509 553153846 /nfs/dbraw/zinc/15/38/46/553153846.db2.gz AHKCJANYRMMCBL-LJQANCHMSA-N 1 0 388.309 2.972 20 0 GFADRO Cc1sc(=O)n(CCC(=O)N2CC[NH2+]C[C@H]2c2cccc(Cl)c2)c1C ZINC000261636597 553154332 /nfs/dbraw/zinc/15/43/32/553154332.db2.gz DFBZBLUJWCKTRH-INIZCTEOSA-N 1 0 379.913 2.743 20 0 GFADRO Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)[C@](C)([NH3+])c1ccc(Br)cc1 ZINC000261624329 553154569 /nfs/dbraw/zinc/15/45/69/553154569.db2.gz BECNCUUSEMXOGC-ADLMAVQZSA-N 1 0 393.329 2.721 20 0 GFADRO [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)c1ccccc1I ZINC000261620464 553154741 /nfs/dbraw/zinc/15/47/41/553154741.db2.gz HRQHBCQRRHIORP-QOARYFPJSA-N 1 0 384.261 2.927 20 0 GFADRO Cc1ccc(I)c(C(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000261657104 553155008 /nfs/dbraw/zinc/15/50/08/553155008.db2.gz BTRHXRSZCYEWFP-BETUJISGSA-N 1 0 384.261 2.671 20 0 GFADRO [NH3+][C@@H](C(=O)NCC1(c2ccc(Br)cc2)CCC1)C1CCOCC1 ZINC000261705227 553156394 /nfs/dbraw/zinc/15/63/94/553156394.db2.gz IIMASZHPRLIODZ-MRXNPFEDSA-N 1 0 381.314 2.741 20 0 GFADRO COCC1(CNC(=O)[C@H](C)Oc2cc(Cl)cc(Cl)c2)CC[NH2+]CC1 ZINC000261702589 553156464 /nfs/dbraw/zinc/15/64/64/553156464.db2.gz JSZAVAMIOVGWAB-LBPRGKRZSA-N 1 0 375.296 2.893 20 0 GFADRO CS(=O)(=O)Nc1ccc(C(F)(F)F)cc1NC(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000261740785 553157808 /nfs/dbraw/zinc/15/78/08/553157808.db2.gz LTAVCFKOCZQGPX-GXSJLCMTSA-N 1 0 379.404 2.533 20 0 GFADRO [NH3+]CCN(CCc1ccccc1)CC(=O)Nc1ccccc1Br ZINC000261754272 553157826 /nfs/dbraw/zinc/15/78/26/553157826.db2.gz MFCOKBUIWXXFIA-UHFFFAOYSA-N 1 0 376.298 2.891 20 0 GFADRO C[C@H](NC(=O)[C@](C)([NH3+])c1ccc(Br)cc1)C(=O)N1CCCC[C@@H]1C ZINC000261750971 553157948 /nfs/dbraw/zinc/15/79/48/553157948.db2.gz MSNTYXWAGLIOAF-ZJNRKIDTSA-N 1 0 396.329 2.529 20 0 GFADRO O=C(NC[C@H]1CCCN(Cc2cc(F)cc(Br)c2)C1)[C@H]1CCC[NH2+]1 ZINC000261791937 553159138 /nfs/dbraw/zinc/15/91/38/553159138.db2.gz ZBDGVEBKGIRJAJ-CXAGYDPISA-N 1 0 398.320 2.668 20 0 GFADRO COCC1(CNC(=O)[C@H](C)Oc2cccc(Cl)c2Cl)CC[NH2+]CC1 ZINC000261791195 553159232 /nfs/dbraw/zinc/15/92/32/553159232.db2.gz ULNIIEUNUMAXAE-LBPRGKRZSA-N 1 0 375.296 2.893 20 0 GFADRO O=C(c1ccn(-c2cccc(Br)c2)n1)N1CCC2(CC[NH2+]C2)CC1 ZINC000261786086 553159264 /nfs/dbraw/zinc/15/92/64/553159264.db2.gz LLRARWQYVHMPHC-UHFFFAOYSA-N 1 0 389.297 2.851 20 0 GFADRO O=C(Nc1ccc(N2CC[NH2+]CC2)cn1)c1ccc(Br)cc1F ZINC000261823409 553160450 /nfs/dbraw/zinc/16/04/50/553160450.db2.gz HNMAQXKSFZHFFA-UHFFFAOYSA-N 1 0 379.233 2.645 20 0 GFADRO COC(=O)C[C@@H](NC(=O)CC[C@H]1CC[NH2+]C1)c1cccc(Br)c1 ZINC000261861449 553161135 /nfs/dbraw/zinc/16/11/35/553161135.db2.gz OUBQPXIULSVIHE-SWLSCSKDSA-N 1 0 383.286 2.559 20 0 GFADRO [NH3+][C@H](C(=O)Nc1nc2ccc(OC(F)(F)F)cc2s1)C1CCOCC1 ZINC000261855108 553161300 /nfs/dbraw/zinc/16/13/00/553161300.db2.gz RWNMHOXPCPHOOT-LBPRGKRZSA-N 1 0 375.372 2.887 20 0 GFADRO Cc1cc(C(=O)N2C[C@@H](C[NH3+])C[C@H]2C)nn1-c1ccc(Br)cc1 ZINC000261871058 553161868 /nfs/dbraw/zinc/16/18/68/553161868.db2.gz SHABMRRDHJUMLO-DGCLKSJQSA-N 1 0 377.286 2.753 20 0 GFADRO [NH3+]C1(c2noc(CCNC(=O)Nc3ccc(Br)cc3)n2)CCC1 ZINC000261899126 553162229 /nfs/dbraw/zinc/16/22/29/553162229.db2.gz YKJFRECWJFPCAS-UHFFFAOYSA-N 1 0 380.246 2.534 20 0 GFADRO Cc1ccc(S(=O)(=O)N2C[C@H]([NH3+])Cc3ccccc32)c(Br)c1 ZINC000261982347 553164137 /nfs/dbraw/zinc/16/41/37/553164137.db2.gz RNMMATMYERPOJI-CYBMUJFWSA-N 1 0 381.295 2.836 20 0 GFADRO O=S(=O)(NCC[C@H]1CCC[NH2+]C1)c1cccc(Br)c1Cl ZINC000262033843 553164871 /nfs/dbraw/zinc/16/48/71/553164871.db2.gz KDGKSPCZITWWOD-SNVBAGLBSA-N 1 0 381.723 2.771 20 0 GFADRO CCO[C@H]1C[C@]([NH3+])(C(=O)N2CCN(Cc3ccc(Cl)s3)CC2)C1(C)C ZINC000262119741 553166562 /nfs/dbraw/zinc/16/65/62/553166562.db2.gz BXXIREXQTNGYMV-KSSFIOAISA-N 1 0 385.961 2.578 20 0 GFADRO O=C(C[C@@H]1COCC[NH2+]1)Nc1ccc(Oc2cccc(Br)c2)nc1 ZINC000262355605 553169948 /nfs/dbraw/zinc/16/99/48/553169948.db2.gz JQXCZJCJQQNPOR-CQSZACIVSA-N 1 0 392.253 2.953 20 0 GFADRO COC(=O)CCSCc1cccc(NC(=O)c2csc(CC[NH3+])n2)c1 ZINC000262352123 553169976 /nfs/dbraw/zinc/16/99/76/553169976.db2.gz IRWCNTCEDCTVFK-UHFFFAOYSA-N 1 0 379.507 2.693 20 0 GFADRO O=C(COc1cccc(Br)c1)NC[C@H]1[NH2+]CCc2ccccc21 ZINC000262416608 553170467 /nfs/dbraw/zinc/17/04/67/553170467.db2.gz RFLUYSYFGDKPFH-QGZVFWFLSA-N 1 0 375.266 2.831 20 0 GFADRO C[C@H](C(=O)Nc1ccccc1C(=O)NCC[NH3+])c1ccc(Br)s1 ZINC000262399107 553170519 /nfs/dbraw/zinc/17/05/19/553170519.db2.gz LYZCKQFZZGAJTO-JTQLQIEISA-N 1 0 396.310 2.941 20 0 GFADRO COC(=O)C[C@@H](NC(=O)[C@H]1CC[NH2+][C@@H](C)C1)c1cccc(Br)c1 ZINC000262456541 553170923 /nfs/dbraw/zinc/17/09/23/553170923.db2.gz VJCVFVWOXNRVBY-CORIIIEPSA-N 1 0 383.286 2.558 20 0 GFADRO Cc1ccc(Cl)cc1N1CC[C@@H](CNC(=O)c2csc(CC[NH3+])n2)C1 ZINC000262423756 553171005 /nfs/dbraw/zinc/17/10/05/553171005.db2.gz VJJBKTKNUHAEAS-ZDUSSCGKSA-N 1 0 378.929 2.862 20 0 GFADRO CC(C)(C[NH3+])NC(=O)c1cccc(NC(=O)c2ccc(Br)o2)c1 ZINC000262547983 553172384 /nfs/dbraw/zinc/17/23/84/553172384.db2.gz NQNDMZVONHCFGS-UHFFFAOYSA-N 1 0 380.242 2.762 20 0 GFADRO [NH3+]C[C@H]1CCCC[C@H]1NC(=O)Cc1csc(NC(=O)c2cccs2)n1 ZINC000262627257 553173374 /nfs/dbraw/zinc/17/33/74/553173374.db2.gz LXAXTPUOBDNBFU-DGCLKSJQSA-N 1 0 378.523 2.633 20 0 GFADRO C[C@@H](Cc1ccccc1Br)NC(=O)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000262774033 553175675 /nfs/dbraw/zinc/17/56/75/553175675.db2.gz MPUMUKQECHFFJS-DZGCQCFKSA-N 1 0 391.313 2.931 20 0 GFADRO Cc1c(C(=O)N[C@H]2CC[NH2+][C@H](C)C2)cnn1-c1cccc(Br)c1 ZINC000262797034 553176068 /nfs/dbraw/zinc/17/60/68/553176068.db2.gz DTMQCHSVNGGJLT-RISCZKNCSA-N 1 0 377.286 2.814 20 0 GFADRO COc1ccc(-c2csc(NC(=O)C[C@H]3CSCC[NH2+]3)n2)cc1OC ZINC000262807056 553176277 /nfs/dbraw/zinc/17/62/77/553176277.db2.gz QGVOYZJISYFIDE-LBPRGKRZSA-N 1 0 379.507 2.861 20 0 GFADRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)c1ccc(I)c(Cl)c1 ZINC000262891001 553177700 /nfs/dbraw/zinc/17/77/00/553177700.db2.gz WWEFJHJRSNVFMQ-PRHODGIISA-N 1 0 378.641 2.672 20 0 GFADRO C[C@@]1([NH3+])CCCC[C@@H]1C(=O)NCCC(=O)Nc1ccc(Br)cc1 ZINC000263256282 553184866 /nfs/dbraw/zinc/18/48/66/553184866.db2.gz QNENMWCUMLRJBH-RHSMWYFYSA-N 1 0 382.302 2.802 20 0 GFADRO [NH3+][C@H](CC(=O)N1CCC(n2cc(Br)cn2)CC1)c1ccccc1 ZINC000263319736 553186271 /nfs/dbraw/zinc/18/62/71/553186271.db2.gz IOMGXGSOQKIVGF-MRXNPFEDSA-N 1 0 377.286 2.899 20 0 GFADRO Cc1cc(CNC(=O)N[C@H]2CC[C@H](C[NH3+])C2)ccc1I ZINC000418145027 563899838 /nfs/dbraw/zinc/89/98/38/563899838.db2.gz WMLFLPOYUPJWLC-AAEUAGOBSA-N 1 0 387.265 2.526 20 0 GFADRO C[C@@H]1CCN(C(=O)NCc2cc(F)c(F)cc2Br)C[C@@H]1C[NH3+] ZINC000418188403 563900825 /nfs/dbraw/zinc/90/08/25/563900825.db2.gz WTPILZFRNUYANP-KOLCDFICSA-N 1 0 376.245 2.854 20 0 GFADRO [NH3+][C@@H]1CCCC[C@H]1NS(=O)(=O)Cc1cc(Cl)ccc1Br ZINC000564964063 564259930 /nfs/dbraw/zinc/25/99/30/564259930.db2.gz QAGYVPGOTBCEDW-CHWSQXEVSA-N 1 0 381.723 2.792 20 0 GFADRO COCCC[N@H+](C)CCNC(=O)N[C@H](C)c1ccc(F)c(Br)c1 ZINC000454546671 564513152 /nfs/dbraw/zinc/51/31/52/564513152.db2.gz HJFNZQRXJJQCEJ-GFCCVEGCSA-N 1 0 390.297 2.917 20 0 GFADRO [NH3+]CCCCNC(=O)N[C@@H](CO)c1ccc(Br)cc1C(F)(F)F ZINC000418516734 563219667 /nfs/dbraw/zinc/21/96/67/563219667.db2.gz YALCHQNDRAWMDQ-LBPRGKRZSA-N 1 0 398.223 2.539 20 0 GFADRO COC[C@H](C)OC[C@H](O)C[NH2+][C@H](C)c1ccc(OC)c(Br)c1 ZINC000278031681 563237484 /nfs/dbraw/zinc/23/74/84/563237484.db2.gz IAYBCZNNZIKQRJ-OUCADQQQSA-N 1 0 376.291 2.521 20 0 GFADRO C[C@@H]([NH2+]CC1(C)CCOCC1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000281259059 563371433 /nfs/dbraw/zinc/37/14/33/563371433.db2.gz XULWALSDTQPKIP-LLVKDONJSA-N 1 0 391.331 2.564 20 0 GFADRO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)c1ccc(F)cc1I ZINC000311830308 563435987 /nfs/dbraw/zinc/43/59/87/563435987.db2.gz GDAIRSOAELIXFL-NOZJJQNGSA-N 1 0 376.213 2.595 20 0 GFADRO CN(CC[NH+]1CCCC1)C(=O)Nc1ccc(F)cc1I ZINC000428790765 563502093 /nfs/dbraw/zinc/50/20/93/563502093.db2.gz CMQZBORCPOFHPI-UHFFFAOYSA-N 1 0 391.228 2.990 20 0 GFADRO Cn1ncc(Br)c1C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000294679859 563212623 /nfs/dbraw/zinc/21/26/23/563212623.db2.gz FBBAEZHTXPSZFN-GFCCVEGCSA-N 1 0 383.315 2.811 20 0 GFADRO [NH3+]C[C@H]1CC[C@H](NC(=O)NCCc2c[nH]c3cccc(Br)c23)C1 ZINC000418197134 563213084 /nfs/dbraw/zinc/21/30/84/563213084.db2.gz IXEWNRSQEMIXGW-AAEUAGOBSA-N 1 0 379.302 2.900 20 0 GFADRO NC(=O)[C@H]1CCCN1CCC[NH2+]C1CC(c2cccc(Br)c2)C1 ZINC000277561385 563213542 /nfs/dbraw/zinc/21/35/42/563213542.db2.gz NGWQFHBPQKYKHE-BDVYOWHSSA-N 1 0 380.330 2.625 20 0 GFADRO COc1cc(C(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)sc1Br ZINC000277565316 563213964 /nfs/dbraw/zinc/21/39/64/563213964.db2.gz NOKIQTFXPRGJSQ-LLVKDONJSA-N 1 0 391.331 2.750 20 0 GFADRO C[C@H]1C[N@H+](CCCNC(=O)NCc2sccc2Br)CCCO1 ZINC000277571905 563214260 /nfs/dbraw/zinc/21/42/60/563214260.db2.gz YAVMBBUBLKGOHM-LBPRGKRZSA-N 1 0 390.347 2.811 20 0 GFADRO O=C(NCc1nc2c(cccc2Br)[nH]1)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000418270833 563214566 /nfs/dbraw/zinc/21/45/66/563214566.db2.gz SIOWJGMGMOAWPL-GRYCIOLGSA-N 1 0 392.301 2.513 20 0 GFADRO COCC1(CNC(=O)NCc2ccc(Br)c(C)c2)CC[NH2+]CC1 ZINC000418273464 563214767 /nfs/dbraw/zinc/21/47/67/563214767.db2.gz ASZYTHDUVKCXOB-UHFFFAOYSA-N 1 0 384.318 2.573 20 0 GFADRO O=C(NCCC[C@@H]1CCC[NH2+]1)NCc1nc2c(cccc2Br)[nH]1 ZINC000418270352 563214926 /nfs/dbraw/zinc/21/49/26/563214926.db2.gz ROLNYRRSGFBQMW-NSHDSACASA-N 1 0 380.290 2.657 20 0 GFADRO [NH3+]C1(CNC(=O)NC[C@@H](CO)Cc2cccc(Br)c2)CCCCC1 ZINC000418316622 563215697 /nfs/dbraw/zinc/21/56/97/563215697.db2.gz LVQDQUQFXFRASQ-HNNXBMFYSA-N 1 0 398.345 2.561 20 0 GFADRO C[N@@H+]1CC[C@@H](CNS(=O)(=O)c2ccc3c(c2)CCO3)[C@@H]1c1cccs1 ZINC000369540257 563216501 /nfs/dbraw/zinc/21/65/01/563216501.db2.gz MUBFYOBLQOBKDW-KBXCAEBGSA-N 1 0 378.519 2.654 20 0 GFADRO [NH3+]C[C@@H](NC(=O)N1CCO[C@H](c2cc(F)c(Cl)cc2Cl)C1)C1CC1 ZINC000418412759 563216914 /nfs/dbraw/zinc/21/69/14/563216914.db2.gz YHBCLBCMGDULMB-CABCVRRESA-N 1 0 376.259 2.953 20 0 GFADRO Cc1ccc(-n2nc(Br)cc2C(=O)N[C@H]2CC[NH2+]C[C@@H]2C)cc1 ZINC000277628321 563217415 /nfs/dbraw/zinc/21/74/15/563217415.db2.gz RGLWUQQXIDFNCU-JSGCOSHPSA-N 1 0 377.286 2.671 20 0 GFADRO CCCC[C@@H](C[NH3+])NC(=O)NC(C)(C)COc1ncccc1Br ZINC000418463433 563218054 /nfs/dbraw/zinc/21/80/54/563218054.db2.gz LARUIEFFZPBECQ-LBPRGKRZSA-N 1 0 387.322 2.818 20 0 GFADRO O=C([C@H]1CCC[N@@H+]1Cc1ccccc1)N1CCn2c(Br)cnc2C1 ZINC000277638413 563218217 /nfs/dbraw/zinc/21/82/17/563218217.db2.gz ZIRKBVVYWSWVRD-OAHLLOKOSA-N 1 0 389.297 2.652 20 0 GFADRO Cc1ncc(C[N@@H+]2CC[C@@H](NC(=O)N(C)Cc3cscn3)[C@@H](C)C2)s1 ZINC000369611099 563219769 /nfs/dbraw/zinc/21/97/69/563219769.db2.gz DCLSDIRDOGORKK-BLLLJJGKSA-N 1 0 379.555 2.960 20 0 GFADRO O[C@H]([C@@H]1CCC[N@@H+](C[C@H](O)COCc2ccccc2Cl)C1)C(F)(F)F ZINC000277706154 563221909 /nfs/dbraw/zinc/22/19/09/563221909.db2.gz IARKWWIATMTFFF-IVMMDQJWSA-N 1 0 381.822 2.853 20 0 GFADRO C[C@@H](NC(=O)N(CCc1ccc(Cl)cc1)C[C@H](O)C(F)(F)F)[C@H](C)[NH3+] ZINC000418688360 563222256 /nfs/dbraw/zinc/22/22/56/563222256.db2.gz AXGYJGRJYSZJFG-WDMOLILDSA-N 1 0 381.826 2.553 20 0 GFADRO CC(C)(COc1ncccc1Br)NC(=O)NC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000418728015 563223695 /nfs/dbraw/zinc/22/36/95/563223695.db2.gz QUXYFBYBGTVSMN-QWHCGFSZSA-N 1 0 399.333 2.818 20 0 GFADRO C[N@@H+](Cc1ccc2c(c1)NC(=O)CO2)C[C@H](O)c1ccccc1Br ZINC000294982366 563224869 /nfs/dbraw/zinc/22/48/69/563224869.db2.gz YFURBHLMUBTCGP-INIZCTEOSA-N 1 0 391.265 2.945 20 0 GFADRO O=C(NCCC[C@@H]1CCC[NH2+]1)N(CCO)Cc1cc(Br)cs1 ZINC000418767919 563225163 /nfs/dbraw/zinc/22/51/63/563225163.db2.gz LPEAVGUDADVLAZ-ZDUSSCGKSA-N 1 0 390.347 2.547 20 0 GFADRO C[NH+](C)[C@@H]1CCCN(C(=O)c2cccnc2-n2cc(Br)cn2)CC1 ZINC000295034683 563226096 /nfs/dbraw/zinc/22/60/96/563226096.db2.gz ACLKYQQYWVKHHX-CQSZACIVSA-N 1 0 392.301 2.586 20 0 GFADRO C[C@H](NC(=O)C(=O)NC[C@@H]1[NH2+]CCCC1(C)C)c1ccccc1Br ZINC000418829864 563226574 /nfs/dbraw/zinc/22/65/74/563226574.db2.gz DRWGCTVKGZLASD-WFASDCNBSA-N 1 0 396.329 2.521 20 0 GFADRO C[C@@H](NC(=O)C(=O)NC[C@@]1(C)CCC[NH2+]C1)c1cc(F)c(Cl)cc1Cl ZINC000418826241 563226586 /nfs/dbraw/zinc/22/65/86/563226586.db2.gz AYDHWDHUAILGRO-QGHHPUGFSA-N 1 0 390.286 2.816 20 0 GFADRO CCCN(C(=O)C(=O)N[C@@H](C)c1cc(F)c(Cl)cc1Cl)[C@@H]1CC[NH2+]C1 ZINC000418840961 563227051 /nfs/dbraw/zinc/22/70/51/563227051.db2.gz FTMRHODRKUEHKM-WDEREUQCSA-N 1 0 390.286 2.910 20 0 GFADRO C[C@@H](NC(=O)C(=O)NCC1(C)CC[NH2+]CC1)c1cc(F)c(Cl)cc1Cl ZINC000418848173 563227062 /nfs/dbraw/zinc/22/70/62/563227062.db2.gz KVESKCWVXJPLAH-SNVBAGLBSA-N 1 0 390.286 2.816 20 0 GFADRO CC(C)[C@H](CNC(=O)C(=O)N[C@H](C)CC[NH3+])Cc1ccc(Cl)cc1Cl ZINC000418857370 563227750 /nfs/dbraw/zinc/22/77/50/563227750.db2.gz RPXGWGDMQPHIJM-OCCSQVGLSA-N 1 0 388.339 2.778 20 0 GFADRO Brc1ccc2c(c1)CCN(c1cc(N3CCOCC3)ncn1)C2 ZINC000277852798 563228535 /nfs/dbraw/zinc/22/85/35/563228535.db2.gz QXXPTFMVNMBRFM-UHFFFAOYSA-N 1 0 375.270 2.638 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N[C@H]2C[C@H](c3ccc(Cl)c(Cl)c3)C2)C1 ZINC000418897326 563229563 /nfs/dbraw/zinc/22/95/63/563229563.db2.gz XALNLXOTNGMRJF-FMKGYKFTSA-N 1 0 384.307 2.551 20 0 GFADRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)N[C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000418896713 563229631 /nfs/dbraw/zinc/22/96/31/563229631.db2.gz VZUQGPANTOIXPH-HBJVGIJOSA-N 1 0 384.307 2.551 20 0 GFADRO CCCN(C(=O)C(=O)NCCSc1ccc(Cl)cc1)C1CC[NH2+]CC1 ZINC000418915608 563230281 /nfs/dbraw/zinc/23/02/81/563230281.db2.gz PSPGRDFCMNLBTM-UHFFFAOYSA-N 1 0 383.945 2.539 20 0 GFADRO [NH3+]C1(CNC(=O)C(=O)NCC2(c3ccc(Cl)cc3Cl)CCC2)CCC1 ZINC000419130482 563234388 /nfs/dbraw/zinc/23/43/88/563234388.db2.gz BJXOGLMCGHNHLV-UHFFFAOYSA-N 1 0 384.307 2.529 20 0 GFADRO C[C@@H]1CN(C[C@H](O)c2ccc(Cl)cc2Cl)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000370148671 563235029 /nfs/dbraw/zinc/23/50/29/563235029.db2.gz LWBVTIQZYZUARQ-CCKFTAQKSA-N 1 0 386.367 2.985 20 0 GFADRO C[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000419293784 563236128 /nfs/dbraw/zinc/23/61/28/563236128.db2.gz ZYBDEJPMBHISJT-XIKOKIGWSA-N 1 0 386.323 2.547 20 0 GFADRO CCC[C@@H](NC(=O)C(=O)NCC1=CC[NH2+]CC1)c1ccc(Cl)c(Cl)c1 ZINC000419313390 563236239 /nfs/dbraw/zinc/23/62/39/563236239.db2.gz ZVXZJFBOEQOFEL-MRXNPFEDSA-N 1 0 384.307 2.987 20 0 GFADRO COCC[C@]1(C(=O)Nc2nnc(SCc3ccccc3)s2)CC[NH2+]C1 ZINC000370194561 563236404 /nfs/dbraw/zinc/23/64/04/563236404.db2.gz PGZQSEXCASNCEB-QGZVFWFLSA-N 1 0 378.523 2.785 20 0 GFADRO O=C(C[NH+]1CCC(c2cccc(Br)c2)CC1)NC1CCOCC1 ZINC000370211678 563236538 /nfs/dbraw/zinc/23/65/38/563236538.db2.gz DLDYEODJRDIBOF-UHFFFAOYSA-N 1 0 381.314 2.924 20 0 GFADRO COc1cc(C(F)(F)F)cc(S(=O)(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000295224343 563236824 /nfs/dbraw/zinc/23/68/24/563236824.db2.gz NOKLHMUCEZHIJO-WCQYABFASA-N 1 0 380.432 2.817 20 0 GFADRO Cc1cnccc1C[NH2+]C[C@@H](O)COc1ccc(I)cc1 ZINC000295225684 563236843 /nfs/dbraw/zinc/23/68/43/563236843.db2.gz RKEJRTKBLVUZHS-OAHLLOKOSA-N 1 0 398.244 2.524 20 0 GFADRO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1Cc1nnc(-c2c(Cl)cccc2Cl)o1 ZINC000419328347 563237209 /nfs/dbraw/zinc/23/72/09/563237209.db2.gz OOQOFLOGCFLNMA-VXGBXAGGSA-N 1 0 385.295 2.930 20 0 GFADRO C[C@@H](CNC(=O)Cc1cc[nH]c(=O)c1Br)[N@H+](C)Cc1ccccc1 ZINC000278052735 563238396 /nfs/dbraw/zinc/23/83/96/563238396.db2.gz UABZUMXAJAKLMT-ZDUSSCGKSA-N 1 0 392.297 2.729 20 0 GFADRO COc1cc(Br)ccc1CCCN1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000370359957 563241518 /nfs/dbraw/zinc/24/15/18/563241518.db2.gz WZLAGWQUDZIMOY-ROUUACIJSA-N 1 0 397.357 2.921 20 0 GFADRO C[C@@H]([NH3+])C1CCN(C(=O)C(=O)N[C@H](C)Cc2c(Cl)cccc2Cl)CC1 ZINC000419553898 563241570 /nfs/dbraw/zinc/24/15/70/563241570.db2.gz AXHLPQZBJRCUFJ-VXGBXAGGSA-N 1 0 386.323 2.626 20 0 GFADRO C[C@H](Cc1c(Cl)cccc1Cl)NC(=O)C(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000419580693 563242376 /nfs/dbraw/zinc/24/23/76/563242376.db2.gz ZMWIMSYEJOANIV-HSMVNMDESA-N 1 0 386.323 2.674 20 0 GFADRO CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)c3ccc(F)cc3Br)C2)CC1 ZINC000370424917 563243401 /nfs/dbraw/zinc/24/34/01/563243401.db2.gz OKEMLISBAXWCBV-OAHLLOKOSA-N 1 0 398.320 2.829 20 0 GFADRO COc1ccc(C[N@@H+]2CC[C@@]3(C2)CCCN(C)C3=O)c(Br)c1OC ZINC000370411217 563243481 /nfs/dbraw/zinc/24/34/81/563243481.db2.gz WWNAPUDEMGXSQJ-GOSISDBHSA-N 1 0 397.313 2.911 20 0 GFADRO Cc1c(Br)cccc1C(=O)N1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000370426260 563243623 /nfs/dbraw/zinc/24/36/23/563243623.db2.gz WULQZSYMVCUVDU-MRXNPFEDSA-N 1 0 394.357 2.998 20 0 GFADRO C[C@H](NC(=O)C(=O)N1CC[C@H]([NH3+])C1)c1ccc(-c2ccc(Cl)cc2)s1 ZINC000419617684 563243860 /nfs/dbraw/zinc/24/38/60/563243860.db2.gz VNZJSJPWJDRJLB-FZMZJTMJSA-N 1 0 377.897 2.805 20 0 GFADRO O=C(Nc1cc(F)ccc1Br)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000370469803 563244860 /nfs/dbraw/zinc/24/48/60/563244860.db2.gz FKOXKGVGGSCGFF-LSDHHAIUSA-N 1 0 386.265 2.651 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+][C@H]2CCO[C@@H](c3ccccc3)C2)cc1Cl ZINC000419683428 563245226 /nfs/dbraw/zinc/24/52/26/563245226.db2.gz KTFFSVVOASBSIH-DOTOQJQBSA-N 1 0 380.897 2.997 20 0 GFADRO C[NH+](C)C[C@H]1CN(C(=O)c2cccnc2Br)c2ccccc2O1 ZINC000370503351 563246520 /nfs/dbraw/zinc/24/65/20/563246520.db2.gz RPGJCOBXMYKZGN-LBPRGKRZSA-N 1 0 376.254 2.814 20 0 GFADRO COCCC[N@H+](CCCc1c(F)cccc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000278242840 563246835 /nfs/dbraw/zinc/24/68/35/563246835.db2.gz OEPQNRFDQUZHQO-CQSZACIVSA-N 1 0 377.909 2.937 20 0 GFADRO COc1cc(F)cc(C[C@@H](C)[NH2+]Cc2ccc(S(N)(=O)=O)c(Cl)c2)c1 ZINC000419722028 563248154 /nfs/dbraw/zinc/24/81/54/563248154.db2.gz AXQOQZCRMQLISD-LLVKDONJSA-N 1 0 386.876 2.856 20 0 GFADRO Cc1sc(Br)nc1C(=O)NCCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000278305160 563249414 /nfs/dbraw/zinc/24/94/14/563249414.db2.gz HSNWFFCCKFSXIL-GHMZBOCLSA-N 1 0 390.347 2.833 20 0 GFADRO CCC[C@@H](O)[C@@H](CO)[NH2+]Cc1ccc(OC(F)(F)F)c(Br)c1 ZINC000419834547 563251475 /nfs/dbraw/zinc/25/14/75/563251475.db2.gz XFLIKDLLMKRXMF-VXGBXAGGSA-N 1 0 386.208 2.959 20 0 GFADRO O=C(NC[C@H]1CCC[NH2+]C1)C(=O)N(Cc1ccc(Cl)c(Cl)c1)C1CC1 ZINC000419873995 563252475 /nfs/dbraw/zinc/25/24/75/563252475.db2.gz ZJHBLVODWBSQMJ-ZDUSSCGKSA-N 1 0 384.307 2.600 20 0 GFADRO C[C@@H]1c2c(Cl)cc(Cl)cc2CCN1C(=O)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000419922218 563253114 /nfs/dbraw/zinc/25/31/14/563253114.db2.gz ZEYDYQUKHQSBNX-NEPJUHHUSA-N 1 0 384.307 2.555 20 0 GFADRO CSc1ccc([C@H](CN2C(=O)NC3(CCSCC3)C2=O)[NH+](C)C)cc1 ZINC000419966101 563254649 /nfs/dbraw/zinc/25/46/49/563254649.db2.gz KTPBNYKADCXSFY-HNNXBMFYSA-N 1 0 379.551 2.829 20 0 GFADRO C[C@@H]1C[N@H+](CCCNC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)CCCO1 ZINC000278429849 563254962 /nfs/dbraw/zinc/25/49/62/563254962.db2.gz RNYYQGOWMVHMAV-GFCCVEGCSA-N 1 0 388.295 2.549 20 0 GFADRO O=C(c1cnn(-c2cccc(Br)c2)c1)N(C1CC1)C1CC[NH2+]CC1 ZINC000370794994 563255626 /nfs/dbraw/zinc/25/56/26/563255626.db2.gz ZPBQIRCJZDHJSG-UHFFFAOYSA-N 1 0 389.297 2.991 20 0 GFADRO CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000419999874 563255981 /nfs/dbraw/zinc/25/59/81/563255981.db2.gz NKDKJHKJLRXUGZ-ZDUSSCGKSA-N 1 0 386.323 2.848 20 0 GFADRO CN(C(=O)CSCc1cscn1)C1CC[NH+](Cc2ccncc2)CC1 ZINC000370826594 563256412 /nfs/dbraw/zinc/25/64/12/563256412.db2.gz MBRLGOLQSBUTFM-UHFFFAOYSA-N 1 0 376.551 2.894 20 0 GFADRO CC[NH+]1CCN(CCC(=O)N2CCc3c(F)ccc(Br)c3C2)CC1 ZINC000295664081 563256811 /nfs/dbraw/zinc/25/68/11/563256811.db2.gz WINXPGQWLLDKAD-UHFFFAOYSA-N 1 0 398.320 2.501 20 0 GFADRO C[C@H](NC(=O)Cc1cc[nH]c(=O)c1Br)[C@@H](c1ccccc1)[NH+](C)C ZINC000278495291 563258869 /nfs/dbraw/zinc/25/88/69/563258869.db2.gz KFURJWKLNFFKPF-SJCJKPOMSA-N 1 0 392.297 2.900 20 0 GFADRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N(Cc1ccc(Cl)c(Cl)c1)C1CC1 ZINC000420125809 563259091 /nfs/dbraw/zinc/25/90/91/563259091.db2.gz TWKZRMFOSLBDBS-BDJLRTHQSA-N 1 0 384.307 2.599 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)C(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)CC[NH2+]1 ZINC000420140897 563259104 /nfs/dbraw/zinc/25/91/04/563259104.db2.gz ZAKFHCKPRDSCKB-AXAPSJFSSA-N 1 0 384.307 2.914 20 0 GFADRO [NH3+]C[C@H]1CC[C@@H](NC(=O)C(=O)N(Cc2ccc(Cl)c(Cl)c2)C2CC2)C1 ZINC000420185436 563259626 /nfs/dbraw/zinc/25/96/26/563259626.db2.gz BSCCZBKNJUMASA-WCQYABFASA-N 1 0 384.307 2.728 20 0 GFADRO COCc1nc2n(n1)C[C@@H]([NH2+][C@H]1CCc3c1ccc(F)c3Br)CC2 ZINC000295714770 563259689 /nfs/dbraw/zinc/25/96/89/563259689.db2.gz NCVQIWLUUQWQFZ-HZMBPMFUSA-N 1 0 395.276 2.918 20 0 GFADRO C[C@H](COc1ccc(Cl)c(Cl)c1)[NH2+]C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000295732818 563260099 /nfs/dbraw/zinc/26/00/99/563260099.db2.gz OINAWFVAEHZAGA-VXGBXAGGSA-N 1 0 381.325 2.632 20 0 GFADRO C[C@H]1C[N@H+](CCCNC(=O)c2cc(Br)c(F)cc2F)CCCO1 ZINC000278570800 563261647 /nfs/dbraw/zinc/26/16/47/563261647.db2.gz PMFRKKCBVRHWEG-NSHDSACASA-N 1 0 391.256 2.958 20 0 GFADRO [NH3+]C[C@@H]1CN(c2ncnc3cc(Br)ccc32)CC12CCOCC2 ZINC000420280910 563261747 /nfs/dbraw/zinc/26/17/47/563261747.db2.gz VHILUPPIBZKPBL-GFCCVEGCSA-N 1 0 377.286 2.584 20 0 GFADRO O=c1c(Cl)c(Cl)cnn1-c1ccc(NC[C@@H]2C[NH2+]CCO2)c(Cl)c1 ZINC000420273894 563262027 /nfs/dbraw/zinc/26/20/27/563262027.db2.gz DSRVJRQNUWQXBE-JTQLQIEISA-N 1 0 389.670 2.593 20 0 GFADRO CC1(C)CN(c2nc(C(F)(F)F)ccc2I)CC[NH2+]1 ZINC000420275576 563262049 /nfs/dbraw/zinc/26/20/49/563262049.db2.gz LFBSXDMWFHCWNY-UHFFFAOYSA-N 1 0 385.171 2.893 20 0 GFADRO O=S(=O)(CCN1CCC[C@@]2(CC[NH2+]C2)C1)c1cc(Cl)ccc1Cl ZINC000420391755 563262766 /nfs/dbraw/zinc/26/27/66/563262766.db2.gz ZDKKSZSZXSSSHR-INIZCTEOSA-N 1 0 377.337 2.843 20 0 GFADRO CC1(C)C[NH2+]CC[C@@H]1NS(=O)(=O)c1cc(Cl)c(Br)cc1F ZINC000420470607 563264982 /nfs/dbraw/zinc/26/49/82/563264982.db2.gz XFOITWGFFKMPJM-LBPRGKRZSA-N 1 0 399.713 2.908 20 0 GFADRO CC1(C)C[NH2+]CC[C@H]1NS(=O)(=O)c1cc(Cl)c(Br)cc1F ZINC000420470606 563265324 /nfs/dbraw/zinc/26/53/24/563265324.db2.gz XFOITWGFFKMPJM-GFCCVEGCSA-N 1 0 399.713 2.908 20 0 GFADRO C[C@H]1CCN(S(=O)(=O)c2cc(Cl)ccc2Br)C[C@@H]1C[NH3+] ZINC000420485390 563265911 /nfs/dbraw/zinc/26/59/11/563265911.db2.gz ZYNLQQCWNKEGBA-UWVGGRQHSA-N 1 0 381.723 2.708 20 0 GFADRO Cc1cnccc1C[NH2+]CCc1ccc(S(=O)(=O)N2CCCCC2)s1 ZINC000295871498 563266153 /nfs/dbraw/zinc/26/61/53/563266153.db2.gz XJDNOMGVJXRLEI-UHFFFAOYSA-N 1 0 379.551 2.958 20 0 GFADRO C[NH+](C)C1CCN(CCNC(=O)N2CCSC[C@H]2c2cccs2)CC1 ZINC000371144861 563266783 /nfs/dbraw/zinc/26/67/83/563266783.db2.gz LJJABBFVIANZIS-INIZCTEOSA-N 1 0 382.599 2.574 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]C[C@]1(O)CCC[C@@H]1C ZINC000296029665 563272155 /nfs/dbraw/zinc/27/21/55/563272155.db2.gz NCULQVQMGXYWMQ-ZJNRKIDTSA-N 1 0 399.329 2.603 20 0 GFADRO O=C1C[C@]2(CC[N@@H+](Cc3ncc(-c4cccc(Br)c4)o3)C2)CN1 ZINC000278837701 563272688 /nfs/dbraw/zinc/27/26/88/563272688.db2.gz IYHAEMOYJMGITO-QGZVFWFLSA-N 1 0 376.254 2.816 20 0 GFADRO C[C@@H](Cc1ccccc1Br)NC(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000278916886 563275924 /nfs/dbraw/zinc/27/59/24/563275924.db2.gz CPEPFVBGWPQKKK-AAEUAGOBSA-N 1 0 377.286 2.610 20 0 GFADRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1S(=O)(=O)c1cc(F)ccc1OC(F)F ZINC000420704064 563276483 /nfs/dbraw/zinc/27/64/83/563276483.db2.gz HOTQOCSOEGLVED-AAEUAGOBSA-N 1 0 378.416 2.674 20 0 GFADRO C[C@H]1CN(C(=O)[C@@H]2SCCc3sccc32)CCN1C1CC[NH+](C)CC1 ZINC000371459005 563278216 /nfs/dbraw/zinc/27/82/16/563278216.db2.gz MXUJGPNDJQBGDJ-KBXCAEBGSA-N 1 0 379.595 2.705 20 0 GFADRO C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)C1CC[NH+](Cc2ccc(Cl)s2)CC1 ZINC000371458114 563278587 /nfs/dbraw/zinc/27/85/87/563278587.db2.gz ZCWLBQIJCQGIQE-TZMCWYRMSA-N 1 0 383.945 2.726 20 0 GFADRO CCn1cc([C@H](C)[NH2+]CC(=O)N(C)Cc2ccccc2Br)cn1 ZINC000296278419 563281586 /nfs/dbraw/zinc/28/15/86/563281586.db2.gz YPSJCXMIHGDMDM-ZDUSSCGKSA-N 1 0 379.302 2.975 20 0 GFADRO CCOc1ccc(Br)cc1NC(=O)c1cc([C@H]2CC[NH2+]C2)[nH]n1 ZINC000279048723 563281705 /nfs/dbraw/zinc/28/17/05/563281705.db2.gz REYULUHICGCUPT-JTQLQIEISA-N 1 0 379.258 2.900 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)Cc1cc[nH]c(=O)c1Br)c1ccccc1 ZINC000279106285 563284498 /nfs/dbraw/zinc/28/44/98/563284498.db2.gz SZJXUPGTQIXTPN-AWEZNQCLSA-N 1 0 378.270 2.511 20 0 GFADRO COc1ncc(C[NH2+][C@@H]2CCCc3ccc(S(N)(=O)=O)cc32)cc1Cl ZINC000296431383 563287198 /nfs/dbraw/zinc/28/71/98/563287198.db2.gz LXDOUEQDKKDEPU-MRXNPFEDSA-N 1 0 381.885 2.558 20 0 GFADRO CN1C(=O)CSC12CCN(Cc1cc3c(c(Br)c1)OCO3)CC2 ZINC000371789549 563287516 /nfs/dbraw/zinc/28/75/16/563287516.db2.gz SKCIMDGMQYXDKQ-UHFFFAOYSA-N 1 0 399.310 2.675 20 0 GFADRO CC[C@@H]([NH2+]C[C@@]1(O)CCS(=O)(=O)C1)c1ccc(Br)cc1Cl ZINC000296448743 563287907 /nfs/dbraw/zinc/28/79/07/563287907.db2.gz MQMHBYRHZBCZFR-KGLIPLIRSA-N 1 0 396.734 2.693 20 0 GFADRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000420846623 563288174 /nfs/dbraw/zinc/28/81/74/563288174.db2.gz VKIXOJKAYYZWTH-WBVHZDCISA-N 1 0 395.345 2.763 20 0 GFADRO CCOc1cc(C[N@@H+]2CCSCC[C@@H]2C)nc2nc(C(F)(F)F)nn21 ZINC000279232455 563288567 /nfs/dbraw/zinc/28/85/67/563288567.db2.gz JGHHMJSRDKXMOP-JTQLQIEISA-N 1 0 375.420 2.869 20 0 GFADRO C[C@H](C(F)(F)F)S(=O)(=O)[N-]CC1CC[NH+](CCc2ccccc2)CC1 ZINC000371958033 563292073 /nfs/dbraw/zinc/29/20/73/563292073.db2.gz CPJFUPUQYKCRGT-CQSZACIVSA-N 1 0 378.460 2.811 20 0 GFADRO COC[C@H](C)OC[C@@H](O)C[N@@H+]1CCC[C@@H]1Cc1ccccc1Br ZINC000420972346 563292198 /nfs/dbraw/zinc/29/21/98/563292198.db2.gz LVFXYDUAGQBQGI-UAGQMJEPSA-N 1 0 386.330 2.868 20 0 GFADRO CC[C@H]([NH2+][C@@H]1CCN(CCN2CCOCC2)C1)c1cccc(Br)c1 ZINC000372047468 563294096 /nfs/dbraw/zinc/29/40/96/563294096.db2.gz ROKCZGKHEOIDSM-MOPGFXCFSA-N 1 0 396.373 2.896 20 0 GFADRO COC1([C@H](C)[NH2+]CC(=O)Nc2ccc(Br)cc2F)CCOCC1 ZINC000421029108 563294537 /nfs/dbraw/zinc/29/45/37/563294537.db2.gz HYYHFHOOQZGQRM-NSHDSACASA-N 1 0 389.265 2.700 20 0 GFADRO CCOC(=O)c1cc(CN[C@@H](C(N)=O)c2cccc(Br)c2)[nH]c1C ZINC000296637905 563295049 /nfs/dbraw/zinc/29/50/49/563295049.db2.gz CGBXQUHKGXYPQE-OAHLLOKOSA-N 1 0 394.269 2.579 20 0 GFADRO CSc1nsc(NC(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)n1 ZINC000279477319 563297883 /nfs/dbraw/zinc/29/78/83/563297883.db2.gz RFEFFTYHPJBRDH-OKILXGFUSA-N 1 0 375.523 2.856 20 0 GFADRO O=S(=O)(c1cc(Br)c(F)cc1F)N(C1CC1)C1CC[NH2+]CC1 ZINC000372176844 563297993 /nfs/dbraw/zinc/29/79/93/563297993.db2.gz YEROURKCCICNED-UHFFFAOYSA-N 1 0 395.269 2.632 20 0 GFADRO COC(=O)c1cc(NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)ccc1Br ZINC000296717029 563298104 /nfs/dbraw/zinc/29/81/04/563298104.db2.gz BVJIWAQOASTOAC-YHWZYXNKSA-N 1 0 396.285 2.982 20 0 GFADRO O=C1C[C@]2(CC[N@@H+](Cc3nc(-c4ccc(Br)cc4)c[nH]3)C2)CN1 ZINC000279496526 563298498 /nfs/dbraw/zinc/29/84/98/563298498.db2.gz VMAUNDWGWJSERW-QGZVFWFLSA-N 1 0 375.270 2.551 20 0 GFADRO Cc1ccc(F)c(C(=O)N2CCC([N@H+](C)CCCO)CC2)c1Br ZINC000279652316 563304796 /nfs/dbraw/zinc/30/47/96/563304796.db2.gz BMEYFXCSBQXSOK-UHFFFAOYSA-N 1 0 387.293 2.815 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)NC2CCC([NH+](C)C)CC2)cc1Br ZINC000421286617 563304981 /nfs/dbraw/zinc/30/49/81/563304981.db2.gz FSOGBLQQASNYNK-UHFFFAOYSA-N 1 0 396.329 2.993 20 0 GFADRO Cc1ccc(-c2csc(NC(=O)C(=O)NC[C@H](C)[N@H+](C)C3CC3)n2)s1 ZINC000279681119 563306287 /nfs/dbraw/zinc/30/62/87/563306287.db2.gz SGDIOBBDKWKRKC-JTQLQIEISA-N 1 0 378.523 2.717 20 0 GFADRO CCOc1c(Cl)cc(NC(=O)C(=O)N(C)C[C@@H]2CCC[N@@H+]2C)cc1Cl ZINC000421302404 563306506 /nfs/dbraw/zinc/30/65/06/563306506.db2.gz QXQWYSTXVJIBKW-LBPRGKRZSA-N 1 0 388.295 2.883 20 0 GFADRO Brc1ccc(-c2nccc(C[N@@H+]3CC[C@@H](n4cncn4)C3)n2)cc1 ZINC000372470378 563307913 /nfs/dbraw/zinc/30/79/13/563307913.db2.gz ACFVZLGZFGYKRY-MRXNPFEDSA-N 1 0 385.269 2.945 20 0 GFADRO CN(C)[C@H](CNC(=O)Nc1nc2cc(Br)ccn2n1)c1ccco1 ZINC000296924816 563308110 /nfs/dbraw/zinc/30/81/10/563308110.db2.gz CIDZQTWDKZHIGW-LLVKDONJSA-N 1 0 393.245 2.509 20 0 GFADRO C[NH+](C)CCCOc1cccc(NC(=O)c2ccc(S(C)(=O)=O)s2)c1 ZINC000421460313 563311871 /nfs/dbraw/zinc/31/18/71/563311871.db2.gz PEUKJEFRIYAJGZ-UHFFFAOYSA-N 1 0 382.507 2.734 20 0 GFADRO CC[C@@H](Cc1cccc(Br)c1)C(=O)N1CCC[N@@H+]([C@H](C)CO)CC1 ZINC000372733311 563315233 /nfs/dbraw/zinc/31/52/33/563315233.db2.gz WSKNOBNSZIXEPE-WBVHZDCISA-N 1 0 397.357 2.933 20 0 GFADRO CC[C@H](Cc1cccc(Br)c1)C(=O)N1CCC[N@@H+]([C@H](C)CO)CC1 ZINC000372733309 563315248 /nfs/dbraw/zinc/31/52/48/563315248.db2.gz WSKNOBNSZIXEPE-NVXWUHKLSA-N 1 0 397.357 2.933 20 0 GFADRO C[C@@H](CNC(=O)c1csc(CC[NH3+])n1)Oc1ccc(Br)cc1 ZINC000279957739 563316366 /nfs/dbraw/zinc/31/63/66/563316366.db2.gz UREMLLCHGLHDGC-JTQLQIEISA-N 1 0 384.299 2.604 20 0 GFADRO O=C(CSCc1cscn1)NC[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000372769539 563316592 /nfs/dbraw/zinc/31/65/92/563316592.db2.gz YTSPHRJRQGVGOD-MRXNPFEDSA-N 1 0 376.551 2.800 20 0 GFADRO C[C@H]([NH2+]CCOCC(F)F)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000280032530 563319824 /nfs/dbraw/zinc/31/98/24/563319824.db2.gz IFBIQIDPHQGPTI-ZETCQYMHSA-N 1 0 377.240 2.573 20 0 GFADRO O=C(NC[C@H](CO)Cc1ccccc1Br)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC000372873880 563320756 /nfs/dbraw/zinc/32/07/56/563320756.db2.gz SVNGPQUSCUALIE-OIISXLGYSA-N 1 0 395.341 2.591 20 0 GFADRO C[C@H](N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000280071927 563321252 /nfs/dbraw/zinc/32/12/52/563321252.db2.gz LBBORQVECRPRQV-VWYCJHECSA-N 1 0 392.352 2.917 20 0 GFADRO C[NH+]1CCC([C@H]2CCN(C(=O)c3sccc3S(=O)(=O)C(F)F)C2)CC1 ZINC000372886383 563321473 /nfs/dbraw/zinc/32/14/73/563321473.db2.gz XPLDXBXGBHTAMR-LBPRGKRZSA-N 1 0 392.493 2.548 20 0 GFADRO CC1(C)[C@@H]2OCCC[C@H]2[C@@]1([NH3+])C(=O)N1CCc2ccc(Br)cc21 ZINC000372897355 563322103 /nfs/dbraw/zinc/32/21/03/563322103.db2.gz LTGLUBZBIAHPSM-DDUZABMNSA-N 1 0 379.298 2.871 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2nc3cc(Br)ccn3n2)[C@H](C)C1 ZINC000297332696 563323502 /nfs/dbraw/zinc/32/35/02/563323502.db2.gz NACACONDFHDGHD-DGCLKSJQSA-N 1 0 395.305 2.686 20 0 GFADRO C[C@@H]([NH2+]CCc1cccc(OCC(F)(F)F)c1)C1CCS(=O)(=O)CC1 ZINC000280151679 563324469 /nfs/dbraw/zinc/32/44/69/563324469.db2.gz DTKAGEXYZNGDOT-CYBMUJFWSA-N 1 0 379.444 2.973 20 0 GFADRO CC[C@H](NC(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1)[C@@H](O)C(F)F ZINC000297359311 563324740 /nfs/dbraw/zinc/32/47/40/563324740.db2.gz VCTDZMJWXGILCB-VHDGCEQUSA-N 1 0 375.485 2.664 20 0 GFADRO C[C@@H](NC(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccc(Br)cc1 ZINC000373048469 563326944 /nfs/dbraw/zinc/32/69/44/563326944.db2.gz VXDFGAMXRXXDSO-UHOFOFEASA-N 1 0 382.302 2.673 20 0 GFADRO CC[NH+]1CCC(N2CCCN(C(=O)c3cc(Br)co3)CC2)CC1 ZINC000422011848 563327830 /nfs/dbraw/zinc/32/78/30/563327830.db2.gz CYHOELJHLYOGGG-UHFFFAOYSA-N 1 0 384.318 2.674 20 0 GFADRO CC[C@H](NC(=O)NC[C@H](c1ccc(SC)cc1)[NH+](C)C)[C@H](O)C(F)F ZINC000297507776 563327836 /nfs/dbraw/zinc/32/78/36/563327836.db2.gz OTCILWCDWHJQRK-ZNMIVQPWSA-N 1 0 375.485 2.715 20 0 GFADRO C[C@H]1C[C@@H](N(C)C(=O)C(=O)N(C)Cc2ccc(Cl)c(Cl)c2)CC[N@@H+]1C ZINC000297573816 563329846 /nfs/dbraw/zinc/32/98/46/563329846.db2.gz BEYRREBEYBSGKG-JSGCOSHPSA-N 1 0 386.323 2.893 20 0 GFADRO C[N@H+](Cc1ccc(I)cc1Cl)CC1(O)CCOCC1 ZINC000280308155 563331505 /nfs/dbraw/zinc/33/15/05/563331505.db2.gz WPUSPAIZTKGIMA-UHFFFAOYSA-N 1 0 395.668 2.918 20 0 GFADRO C[NH+](C)CC[C@@H](NC(=O)C(=O)Nc1cc(Cl)c(N)c(Cl)c1)C(C)(C)C ZINC000297708751 563332953 /nfs/dbraw/zinc/33/29/53/563332953.db2.gz ATWJEFGDVSXRIC-CYBMUJFWSA-N 1 0 389.327 2.997 20 0 GFADRO CC(C)N(CC[NH+](C)C)C(=O)Nc1ccnn1-c1ccc(Br)cn1 ZINC000280362249 563333887 /nfs/dbraw/zinc/33/38/87/563333887.db2.gz BWUSEMBEIJCJRT-UHFFFAOYSA-N 1 0 395.305 2.834 20 0 GFADRO C[C@H]1CCCC[N@@H+]1CCCNC(=O)C(=O)Nc1cc(Cl)c(N)c(Cl)c1 ZINC000297828446 563337039 /nfs/dbraw/zinc/33/70/39/563337039.db2.gz JTSDTRIUXXFRPM-NSHDSACASA-N 1 0 387.311 2.895 20 0 GFADRO CN(CC1([NH+](C)C)CCC1)C(=O)NCCCCn1cc(Br)cn1 ZINC000280438778 563337276 /nfs/dbraw/zinc/33/72/76/563337276.db2.gz QPMLTQNBFAIJQA-UHFFFAOYSA-N 1 0 386.338 2.552 20 0 GFADRO CC[C@@H]([NH2+]C[C@](C)(O)C(F)(F)F)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000280439088 563337519 /nfs/dbraw/zinc/33/75/19/563337519.db2.gz CMBIFVXIWPGRTH-YPMHNXCESA-N 1 0 388.839 2.602 20 0 GFADRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)NCCCc1ccc(Cl)cc1Cl ZINC000422392728 563338374 /nfs/dbraw/zinc/33/83/74/563338374.db2.gz BJDIRWYVPMBMJW-HNNXBMFYSA-N 1 0 386.323 2.595 20 0 GFADRO C[C@@H](NC(=O)c1csc(CC[NH3+])n1)c1nc(-c2ccc(Cl)cc2)no1 ZINC000373552759 563342222 /nfs/dbraw/zinc/34/22/22/563342222.db2.gz VWUOUMBZICBLDI-SECBINFHSA-N 1 0 377.857 2.839 20 0 GFADRO CCS(=O)(=O)c1ccc(C[NH2+][C@@H](C)Cn2cc(Br)cn2)s1 ZINC000280588396 563344492 /nfs/dbraw/zinc/34/44/92/563344492.db2.gz NAKLJSUPWFIKJY-JTQLQIEISA-N 1 0 392.344 2.679 20 0 GFADRO CC(C)[NH+]1CCC(N(C)S(=O)(=O)N(C)Cc2c(F)cccc2Cl)CC1 ZINC000298155140 563346158 /nfs/dbraw/zinc/34/61/58/563346158.db2.gz DGCWVSXNZKJNCF-UHFFFAOYSA-N 1 0 391.940 2.960 20 0 GFADRO C[C@H](C[C@@H]1COCCN1)[NH2+]C1CCN(Cc2ccc(Br)cc2)CC1 ZINC000422889290 563349810 /nfs/dbraw/zinc/34/98/10/563349810.db2.gz FPGHFFXYKAFSRZ-DNVCBOLYSA-N 1 0 396.373 2.770 20 0 GFADRO CO[C@@H](C[NH2+][C@H](C)c1ccc(Br)c(S(N)(=O)=O)c1)C(C)(C)C ZINC000280698961 563350670 /nfs/dbraw/zinc/35/06/70/563350670.db2.gz LFJXITRULKNDPN-YGRLFVJLSA-N 1 0 393.347 2.808 20 0 GFADRO C[C@@H]1CC[NH2+][C@H](C(=O)N2CCN(C(=O)c3cccc(Cl)c3Cl)CC2)C1 ZINC000422996051 563352531 /nfs/dbraw/zinc/35/25/31/563352531.db2.gz SCECJABZNHUGAM-DOMZBBRYSA-N 1 0 384.307 2.666 20 0 GFADRO CC(C)[C@@H](C(=O)N1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1)[C@@H](C)[NH3+] ZINC000422980934 563352604 /nfs/dbraw/zinc/35/26/04/563352604.db2.gz MWSMVTLTXKOIMZ-MLGOLLRUSA-N 1 0 386.323 2.897 20 0 GFADRO CC(=O)NCc1ccc(-c2nc(NC(=O)[C@H]([NH3+])C3CCC3)sc2C)s1 ZINC000423018646 563353270 /nfs/dbraw/zinc/35/32/70/563353270.db2.gz RNASYGXZLUTWKM-CQSZACIVSA-N 1 0 378.523 2.882 20 0 GFADRO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NCC(=O)Nc1cccc(Br)c1 ZINC000423051133 563353773 /nfs/dbraw/zinc/35/37/73/563353773.db2.gz ZWMQLYUQOFYUTF-SUMWQHHRSA-N 1 0 376.298 2.936 20 0 GFADRO CN(C[C@@H](O)c1cccc(Br)c1)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000298398971 563354151 /nfs/dbraw/zinc/35/41/51/563354151.db2.gz VPVHNOMHZNXMOO-SUMWQHHRSA-N 1 0 396.329 2.608 20 0 GFADRO C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000423085700 563354952 /nfs/dbraw/zinc/35/49/52/563354952.db2.gz KHZVLUUGPBWPBZ-KPZWWZAWSA-N 1 0 384.307 2.725 20 0 GFADRO C[C@H]([NH3+])[C@H]1COCC[C@H]1NCc1ccc(Cl)cc1I ZINC000423091749 563354964 /nfs/dbraw/zinc/35/49/64/563354964.db2.gz YPRBQYOXIDGXIN-MRCXROJRSA-N 1 0 394.684 2.787 20 0 GFADRO C[C@@]1(C[NH3+])CCN(C(=O)C(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000423097335 563355175 /nfs/dbraw/zinc/35/51/75/563355175.db2.gz QSHPGMSGGHIEDR-YJBOKZPZSA-N 1 0 384.307 2.854 20 0 GFADRO Cc1cc(Cl)ccc1S(=O)(=O)NCCN[C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000423099416 563355327 /nfs/dbraw/zinc/35/53/27/563355327.db2.gz AIUNPHUJYXJVMG-IAGOWNOFSA-N 1 0 379.913 2.661 20 0 GFADRO COc1cc(C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)cc(OC)c1Br ZINC000373940432 563356295 /nfs/dbraw/zinc/35/62/95/563356295.db2.gz YAQVATBIKKSEQY-STQMWFEESA-N 1 0 383.286 2.823 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)[C@@H](C(C)C)[C@H](C)[NH3+] ZINC000423115929 563356454 /nfs/dbraw/zinc/35/64/54/563356454.db2.gz ZBFJSZHSYJDWJY-LRDDRELGSA-N 1 0 384.318 2.822 20 0 GFADRO O=C(Cc1cc2c(cc1Br)OCCO2)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000373937633 563356483 /nfs/dbraw/zinc/35/64/83/563356483.db2.gz KFEKPBAGESALIR-UONOGXRCSA-N 1 0 395.297 2.506 20 0 GFADRO [NH3+][C@@H](C(=O)N1CCC(C(=O)Nc2ccc(Br)cc2)CC1)C1CCC1 ZINC000423135440 563356733 /nfs/dbraw/zinc/35/67/33/563356733.db2.gz YBYBZRDOXRKIMC-MRXNPFEDSA-N 1 0 394.313 2.754 20 0 GFADRO [NH3+][C@H](C(=O)NCC1(c2ccc(Br)cc2)CCOCC1)C1CCC1 ZINC000423135455 563357157 /nfs/dbraw/zinc/35/71/57/563357157.db2.gz UBBJMFMTHUIHHQ-INIZCTEOSA-N 1 0 381.314 2.741 20 0 GFADRO CC(C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000423166628 563357600 /nfs/dbraw/zinc/35/76/00/563357600.db2.gz RIUIWVVKHLHWPL-SFHVURJKSA-N 1 0 386.323 2.928 20 0 GFADRO CCn1ccnc1[C@@H](NCCC[NH2+]C)c1ccc(I)cc1 ZINC000423202536 563358444 /nfs/dbraw/zinc/35/84/44/563358444.db2.gz QXGSBOUEFLJQNU-HNNXBMFYSA-N 1 0 398.292 2.796 20 0 GFADRO CCn1ccnc1[C@H](NCCC[NH2+]C)c1ccc(I)cc1 ZINC000423202537 563358499 /nfs/dbraw/zinc/35/84/99/563358499.db2.gz QXGSBOUEFLJQNU-OAHLLOKOSA-N 1 0 398.292 2.796 20 0 GFADRO CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000423184101 563358530 /nfs/dbraw/zinc/35/85/30/563358530.db2.gz MWGQJHDPAYDKDX-OCCSQVGLSA-N 1 0 386.323 2.785 20 0 GFADRO CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000423190957 563358613 /nfs/dbraw/zinc/35/86/13/563358613.db2.gz SFDOWHNYUROZTE-SFHVURJKSA-N 1 0 384.307 2.554 20 0 GFADRO [NH3+][C@H](C(=O)NCCSCCOc1cccc(Br)c1)C1CCC1 ZINC000423179205 563358758 /nfs/dbraw/zinc/35/87/58/563358758.db2.gz JEVWMFDLIMBTGT-HNNXBMFYSA-N 1 0 387.343 2.805 20 0 GFADRO C[C@@H]([NH3+])C1CCN(C(=O)C(=O)N(C)[C@H](C)c2ccccc2Br)CC1 ZINC000423558699 563362161 /nfs/dbraw/zinc/36/21/61/563362161.db2.gz JNKHZGRROVJRHU-CHWSQXEVSA-N 1 0 396.329 2.554 20 0 GFADRO C[NH2+]C[C@H]1CCN(C(=O)C(=O)N2CCc3c(Cl)cc(Cl)cc3[C@H]2C)C1 ZINC000423545956 563362239 /nfs/dbraw/zinc/36/22/39/563362239.db2.gz PQDIEWJLHPIMQM-VXGBXAGGSA-N 1 0 384.307 2.507 20 0 GFADRO C[C@@H]([NH2+]CC1([S@@](C)=O)CCC1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000281007334 563363533 /nfs/dbraw/zinc/36/35/33/563363533.db2.gz LDOFDNHYTWGDQP-PVBMHHQDSA-N 1 0 399.365 2.593 20 0 GFADRO COC[C@]1(C(=O)N[C@@H]2CCCN(c3ccc(Cl)cc3Cl)C2)CC[NH2+]C1 ZINC000423822903 563363631 /nfs/dbraw/zinc/36/36/31/563363631.db2.gz JFCQFZLIGGNMSW-KDOFPFPSSA-N 1 0 386.323 2.705 20 0 GFADRO [NH3+]C[C@@H](NC(=O)[C@@H]1CCN(c2cc(Cl)ccc2Cl)C1=O)C1CCCC1 ZINC000423967040 563365556 /nfs/dbraw/zinc/36/55/56/563365556.db2.gz SEOISSNDLTZVFC-DZGCQCFKSA-N 1 0 384.307 2.980 20 0 GFADRO CC[NH+](CC)CCOc1ccccc1CNS(=O)(=O)CCC(F)(F)F ZINC000281099802 563366444 /nfs/dbraw/zinc/36/64/44/563366444.db2.gz FDVAJUFVIPYCPQ-UHFFFAOYSA-N 1 0 382.448 2.779 20 0 GFADRO Cc1[nH]c(=O)c(C(=O)N2CC[NH2+]C[C@H]2c2ccccc2)cc1Br ZINC000423996614 563366554 /nfs/dbraw/zinc/36/65/54/563366554.db2.gz KMMUHSQCACXMDU-HNNXBMFYSA-N 1 0 376.254 2.645 20 0 GFADRO C[C@@H]1CCN(C(=O)c2ncc(Br)cc2Br)C[C@@H]1C[NH3+] ZINC000423995225 563366562 /nfs/dbraw/zinc/36/65/62/563366562.db2.gz JESMBTARXGECNF-BDAKNGLRSA-N 1 0 391.107 2.664 20 0 GFADRO C[C@H]1CCN(C(=O)CNC(=O)c2sc3ccccc3c2Cl)C[C@@H]1C[NH3+] ZINC000424000699 563367221 /nfs/dbraw/zinc/36/72/21/563367221.db2.gz OMEUNSUNZHEYDX-RYUDHWBXSA-N 1 0 379.913 2.728 20 0 GFADRO [NH3+]Cc1cn([C@H]2CCCN(C(=O)c3ccc(Cl)cc3Br)C2)nn1 ZINC000424001068 563367275 /nfs/dbraw/zinc/36/72/75/563367275.db2.gz MQAZSQLCJDBDGA-LBPRGKRZSA-N 1 0 398.692 2.630 20 0 GFADRO C[NH2+]CCCN(C)C(=O)c1cccn1-c1ccc(I)cc1 ZINC000424038157 563367741 /nfs/dbraw/zinc/36/77/41/563367741.db2.gz XENGSCHIPKSIOW-UHFFFAOYSA-N 1 0 397.260 2.763 20 0 GFADRO O=c1cc(C[NH2+][C@@]2(Cc3ccc(Cl)cc3)CCOC2)nc2sccn21 ZINC000374314285 563368041 /nfs/dbraw/zinc/36/80/41/563368041.db2.gz RVWVDLFWYLVEDM-GOSISDBHSA-N 1 0 375.881 2.901 20 0 GFADRO COc1cc(C(=O)N2C[C@@H]([NH3+])Cc3ccccc32)cc(OC)c1Br ZINC000424068826 563369467 /nfs/dbraw/zinc/36/94/67/563369467.db2.gz AUHALLNTJNMAAT-ZDUSSCGKSA-N 1 0 391.265 2.997 20 0 GFADRO C[N@H+]1CC=C(CNC(=O)N[C@H]2CCOc3c(Br)cccc32)CC1 ZINC000374395102 563370614 /nfs/dbraw/zinc/37/06/14/563370614.db2.gz KRICKGXKVZTNMR-HNNXBMFYSA-N 1 0 380.286 2.834 20 0 GFADRO O=C(C[C@@H]1Sc2ccc(Cl)cc2NC1=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000298986781 563372233 /nfs/dbraw/zinc/37/22/33/563372233.db2.gz IDJLJBBXLYFQPA-BJJXKVORSA-N 1 0 379.913 2.886 20 0 GFADRO CN(Cc1cccs1)C(=O)C[NH2+][C@H](CO)c1ccc(Br)cc1 ZINC000298985506 563372456 /nfs/dbraw/zinc/37/24/56/563372456.db2.gz PRPZWIPEPHGNKG-OAHLLOKOSA-N 1 0 383.311 2.792 20 0 GFADRO CN1CC[C@H](C[NH2+]Cc2cnn(-c3ccc(Br)cc3)c2)CC1=O ZINC000424194359 563373201 /nfs/dbraw/zinc/37/32/01/563373201.db2.gz WHBPCZRFYBUMFD-ZDUSSCGKSA-N 1 0 377.286 2.593 20 0 GFADRO CN1C(=O)CC[C@@H]([NH2+]Cc2ccc(-c3ccc(Br)cc3)o2)C1=O ZINC000424200877 563373354 /nfs/dbraw/zinc/37/33/54/563373354.db2.gz GNARTEOCDPWNEG-CQSZACIVSA-N 1 0 377.238 2.946 20 0 GFADRO CN(C[C@@H](O)c1cccc(Br)c1)C(=O)NCC1([NH+](C)C)CCC1 ZINC000299047042 563373796 /nfs/dbraw/zinc/37/37/96/563373796.db2.gz UJMAWBBPCVGOBQ-OAHLLOKOSA-N 1 0 384.318 2.608 20 0 GFADRO [NH3+][C@@H]1CCCC[C@H]1NC(=O)c1ncc(Br)cc1Br ZINC000424217792 563374349 /nfs/dbraw/zinc/37/43/49/563374349.db2.gz ODPZGNIPQFSBMJ-NXEZZACHSA-N 1 0 377.080 2.606 20 0 GFADRO CC1(C)CN(C(=O)[C@@H]2CCN(c3cc(Cl)cc(Cl)c3)C2=O)CC[C@@H]1[NH3+] ZINC000374508872 563374344 /nfs/dbraw/zinc/37/43/44/563374344.db2.gz VDEYJRCHORZGEI-GJZGRUSLSA-N 1 0 384.307 2.932 20 0 GFADRO O=C(Nc1ccc(Br)cn1)[C@@H]1CCCN(CC[NH+]2CCCCC2)C1 ZINC000299153658 563376775 /nfs/dbraw/zinc/37/67/75/563376775.db2.gz ZDBXDQRUTJHVJK-OAHLLOKOSA-N 1 0 395.345 2.981 20 0 GFADRO C[N@@H+]1CCC[C@H]2CN(S(=O)(=O)c3cc4c(cc3Cl)CCC4=O)CC[C@H]21 ZINC000374595021 563377032 /nfs/dbraw/zinc/37/70/32/563377032.db2.gz RRWRDRPFTXJDRD-XJKSGUPXSA-N 1 0 382.913 2.574 20 0 GFADRO CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2cc(Cl)c(N)c(Cl)c2)C1 ZINC000299188792 563377042 /nfs/dbraw/zinc/37/70/42/563377042.db2.gz CRDKHPKJGZPKOF-LLVKDONJSA-N 1 0 387.311 2.704 20 0 GFADRO C[C@@H]1CC2(CN1S(=O)(=O)c1ccc(F)cc1Br)CC[NH2+]CC2 ZINC000424386962 563377190 /nfs/dbraw/zinc/37/71/90/563377190.db2.gz FPCFGQPNOGNAOA-LLVKDONJSA-N 1 0 391.306 2.741 20 0 GFADRO C[NH+]1CCC(Oc2cc(NC(=O)c3ccncc3Br)ccn2)CC1 ZINC000374601128 563377313 /nfs/dbraw/zinc/37/73/13/563377313.db2.gz DWWLRNNXGATZAA-UHFFFAOYSA-N 1 0 391.269 2.964 20 0 GFADRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C2(c3cncc(Br)c3)CC2)C1 ZINC000281443377 563377795 /nfs/dbraw/zinc/37/77/95/563377795.db2.gz HHAGFIBYJDKYFW-CZUORRHYSA-N 1 0 378.314 2.818 20 0 GFADRO Cc1cc(Br)cn2c(C[NH2+][C@@H]3CCO[C@@]4(CCOC4)C3)cnc12 ZINC000374626603 563377893 /nfs/dbraw/zinc/37/78/93/563377893.db2.gz AUKVGWYAJVTGPT-PBHICJAKSA-N 1 0 380.286 2.833 20 0 GFADRO COCCS(=O)(=O)N[C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000374693243 563380317 /nfs/dbraw/zinc/38/03/17/563380317.db2.gz VZTBNWWPIXLCPI-ONQFOCNCSA-N 1 0 386.945 2.820 20 0 GFADRO CC[C@H](NC(=O)C(=O)N1CC2(C[C@@H]1C)CC[NH2+]CC2)c1ccc(Cl)s1 ZINC000424536335 563380771 /nfs/dbraw/zinc/38/07/71/563380771.db2.gz AYZNAXWQCRATDN-STQMWFEESA-N 1 0 383.945 2.959 20 0 GFADRO COc1c(Br)ccc(C)c1C(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000424661432 563386083 /nfs/dbraw/zinc/38/60/83/563386083.db2.gz WHKFYCAWRWEEME-UHFFFAOYSA-N 1 0 399.329 2.949 20 0 GFADRO O=C(NCC[NH+]1CCCCC1)c1cc(F)ccc1I ZINC000299563047 563386173 /nfs/dbraw/zinc/38/61/73/563386173.db2.gz BBAZDCUKHLLZCZ-UHFFFAOYSA-N 1 0 376.213 2.646 20 0 GFADRO C[C@@H](CC[NH+](C)C)NC(=O)[C@H]1CCCN1C(=O)c1ccc(Br)cc1 ZINC000299573284 563386498 /nfs/dbraw/zinc/38/64/98/563386498.db2.gz BAWATXFYZMZPFX-XJKSGUPXSA-N 1 0 396.329 2.510 20 0 GFADRO CC[N@@H+]1CCCN(C(=O)c2cnn(-c3ccc(Br)cc3)c2)CC1 ZINC000299572763 563386671 /nfs/dbraw/zinc/38/66/71/563386671.db2.gz BWGWIWULXVUDEF-UHFFFAOYSA-N 1 0 377.286 2.803 20 0 GFADRO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)Cc1noc2ccc(Br)cc21 ZINC000424682240 563387285 /nfs/dbraw/zinc/38/72/85/563387285.db2.gz LWVYDQWHFAJHKZ-HNNXBMFYSA-N 1 0 380.286 2.931 20 0 GFADRO Cc1nc(CN2CCC(C[NH2+][C@H]3CCCC[C@@H]3S(C)(=O)=O)CC2)cs1 ZINC000375005434 563387719 /nfs/dbraw/zinc/38/77/19/563387719.db2.gz OLWJWOSTZTWRRI-ROUUACIJSA-N 1 0 385.599 2.609 20 0 GFADRO Cn1cc(CN2CCC[C@@H]2C(=O)N2CCSCC2)c(-c2cccs2)n1 ZINC000375017954 563387731 /nfs/dbraw/zinc/38/77/31/563387731.db2.gz IHLHCVZSFVTYFX-OAHLLOKOSA-N 1 0 376.551 2.688 20 0 GFADRO COc1ncc(C(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)cc1Br ZINC000424702994 563388067 /nfs/dbraw/zinc/38/80/67/563388067.db2.gz YZLXXXNCJJNKGX-ZDUSSCGKSA-N 1 0 382.302 2.801 20 0 GFADRO CC(=O)N[C@H]1CCCN(C(=O)C[NH2+]C2(c3ccc(Cl)c(Cl)c3)CC2)C1 ZINC000299655115 563388132 /nfs/dbraw/zinc/38/81/32/563388132.db2.gz UIRIFAPPVNPOBH-AWEZNQCLSA-N 1 0 384.307 2.699 20 0 GFADRO CC1(C)NC(=O)CC[C@H]1NC(=O)C1CC[NH+](Cc2ccc(Cl)s2)CC1 ZINC000375008138 563388188 /nfs/dbraw/zinc/38/81/88/563388188.db2.gz KFEVZAOZEBBDSP-CQSZACIVSA-N 1 0 383.945 2.787 20 0 GFADRO C[N@@H+]1CC[C@@H]2CCN(Cc3noc(Cc4ccc(Br)cc4)n3)C[C@H]21 ZINC000375028103 563388285 /nfs/dbraw/zinc/38/82/85/563388285.db2.gz BROAIPXJLXZTQL-GDBMZVCRSA-N 1 0 391.313 2.949 20 0 GFADRO C[N@H+](CCC(=O)Nc1ccc(Br)cc1F)C1(C(N)=O)CCCC1 ZINC000299656945 563388717 /nfs/dbraw/zinc/38/87/17/563388717.db2.gz LIMZKZUDGZGXLF-UHFFFAOYSA-N 1 0 386.265 2.647 20 0 GFADRO Cc1sc2ncnc(SCC(=O)N3CC[C@H]4CC[N@@H+](C)[C@H]4C3)c2c1C ZINC000375062087 563389057 /nfs/dbraw/zinc/38/90/57/563389057.db2.gz SEIJNVJXANZMJM-KGLIPLIRSA-N 1 0 376.551 2.953 20 0 GFADRO Nc1c(Cl)cc(NC(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCC2)cc1Cl ZINC000299696310 563389275 /nfs/dbraw/zinc/38/92/75/563389275.db2.gz OKOJAQQMGQOZKD-LBPRGKRZSA-N 1 0 385.295 2.601 20 0 GFADRO C[C@H]1C[NH+](CCCNC(=O)c2cc(Br)cnc2Cl)C[C@H](C)O1 ZINC000299705201 563390191 /nfs/dbraw/zinc/39/01/91/563390191.db2.gz ZCLZKFFUKBZSNP-QWRGUYRKSA-N 1 0 390.709 2.727 20 0 GFADRO O=C(Nc1nnc(-c2ccccc2Cl)s1)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O ZINC000375111366 563390884 /nfs/dbraw/zinc/39/08/84/563390884.db2.gz PGJGKSXKXCQRDN-FGWVZKOKSA-N 1 0 376.869 2.612 20 0 GFADRO CC[C@@H]1C[N@H+](C)CCCN1S(=O)(=O)c1cc(Br)ccc1C ZINC000300532872 563391531 /nfs/dbraw/zinc/39/15/31/563391531.db2.gz FEZVZUDDIQGDQZ-CQSZACIVSA-N 1 0 375.332 2.862 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(F)cc1I ZINC000300403123 563391728 /nfs/dbraw/zinc/39/17/28/563391728.db2.gz ZSIRARULHSZLAN-NEPJUHHUSA-N 1 0 388.224 2.787 20 0 GFADRO CC[N@H+](CCNC(=O)c1cnc(OC)c(Br)c1)CCC(F)(F)F ZINC000424803970 563392922 /nfs/dbraw/zinc/39/29/22/563392922.db2.gz NBGVMZHEPMLTFP-UHFFFAOYSA-N 1 0 398.223 2.857 20 0 GFADRO COCCC(=O)N1CCC([NH2+]Cc2c(F)ccc(Br)c2F)CC1 ZINC000281996352 563393550 /nfs/dbraw/zinc/39/35/50/563393550.db2.gz LSPNNCSYHJUUFW-UHFFFAOYSA-N 1 0 391.256 2.844 20 0 GFADRO CC[NH+]1CCC(NS(=O)(=O)c2cc(Cl)ccc2Br)CC1 ZINC000282012769 563394224 /nfs/dbraw/zinc/39/42/24/563394224.db2.gz PRRJNFBZUOFFPW-UHFFFAOYSA-N 1 0 381.723 2.865 20 0 GFADRO C[NH+](C)CCn1nccc1NC(=O)Cc1noc2ccc(Br)cc12 ZINC000424844324 563394681 /nfs/dbraw/zinc/39/46/81/563394681.db2.gz CVEZHDKQMRSRJR-UHFFFAOYSA-N 1 0 392.257 2.530 20 0 GFADRO [NH3+][C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnn(-c2cccc(Br)c2)c1 ZINC000375251786 563397464 /nfs/dbraw/zinc/39/74/64/563397464.db2.gz BAQAOQLRHNGWJT-RBVVOMGSSA-N 1 0 375.270 2.729 20 0 GFADRO Cc1c(Br)scc1C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000375378257 563401991 /nfs/dbraw/zinc/40/19/91/563401991.db2.gz ITECJXIQQRERDW-CYBMUJFWSA-N 1 0 386.359 2.671 20 0 GFADRO COc1cc(C(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)cc(Br)c1OC ZINC000425066785 563402951 /nfs/dbraw/zinc/40/29/51/563402951.db2.gz PQBZWPPZYBGEAQ-SMDDNHRTSA-N 1 0 383.286 2.633 20 0 GFADRO CN(C(=O)C1(c2ccc(I)cc2)CC1)C1CC[NH+](C)CC1 ZINC000282235313 563403188 /nfs/dbraw/zinc/40/31/88/563403188.db2.gz ZQNVCHXIPPBYPN-UHFFFAOYSA-N 1 0 398.288 2.875 20 0 GFADRO C[C@]1(O)CCOC[C@H]1[C@H]1CCC[N@@H+]1Cc1cnc2ccc(Br)cn12 ZINC000375413823 563404121 /nfs/dbraw/zinc/40/41/21/563404121.db2.gz XOAVLTGMMWODRQ-JZXOWHBKSA-N 1 0 394.313 2.849 20 0 GFADRO Cc1ocnc1C(=O)Nc1cc(Br)ccc1N(C)CC[NH+](C)C ZINC000425097828 563404539 /nfs/dbraw/zinc/40/45/39/563404539.db2.gz JCQLUEIZWQRHRT-UHFFFAOYSA-N 1 0 381.274 2.996 20 0 GFADRO CN(CC[NH+](C)C)c1ccc(Br)cc1NC(=O)[C@@H]1CCCOC1 ZINC000425100198 563404746 /nfs/dbraw/zinc/40/47/46/563404746.db2.gz SPMKGALMXCZRDW-CYBMUJFWSA-N 1 0 384.318 2.812 20 0 GFADRO C[NH+]1CCC(C(=O)NCc2ccc(I)c(Cl)c2)CC1 ZINC000282289188 563405440 /nfs/dbraw/zinc/40/54/40/563405440.db2.gz ZMKWXLLVJMZYAH-UHFFFAOYSA-N 1 0 392.668 2.903 20 0 GFADRO C[N@@H+]1CC[C@@H](CNS(=O)(=O)c2ccc3ccccc3c2Br)C1 ZINC000425183211 563408740 /nfs/dbraw/zinc/40/87/40/563408740.db2.gz FYZIFQVFEUZPTA-LBPRGKRZSA-N 1 0 383.311 2.832 20 0 GFADRO CCOC1CC(C[NH2+]Cc2cnc(C(F)(F)F)s2)(N2CCOCC2)C1 ZINC000375524122 563408935 /nfs/dbraw/zinc/40/89/35/563408935.db2.gz YUIWFHXFGKSULU-UHFFFAOYSA-N 1 0 379.448 2.521 20 0 GFADRO C[C@H](CNC(=O)OC(C)(C)C)CNc1ncnc2c1c(Br)nn2C ZINC000301761679 563411685 /nfs/dbraw/zinc/41/16/85/563411685.db2.gz BQXQIKWXDPNPMJ-VIFPVBQESA-N 1 0 399.293 2.699 20 0 GFADRO C[N@@H+]1C[C@@H]2CCCN(S(=O)(=O)c3ccc(OC(F)F)c(Cl)c3)[C@@H]2C1 ZINC000425215822 563411722 /nfs/dbraw/zinc/41/17/22/563411722.db2.gz ORSQAZQILPAYJX-GXFFZTMASA-N 1 0 380.844 2.656 20 0 GFADRO O=S(=O)(c1c(F)c(F)c(F)c(F)c1F)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000375609396 563411843 /nfs/dbraw/zinc/41/18/43/563411843.db2.gz ACWHGUUKBZSGLO-SECBINFHSA-N 1 0 384.370 2.535 20 0 GFADRO C[N@@H+]1C[C@@H]2CCCN(S(=O)(=O)c3cccc(Cl)c3Br)[C@@H]2C1 ZINC000425214861 563411907 /nfs/dbraw/zinc/41/19/07/563411907.db2.gz KTOWRWOLOOYTSP-CMPLNLGQSA-N 1 0 393.734 2.817 20 0 GFADRO Cn1ncc(N2CCC(CCC[NH+]3CCCC3)CC2)c(Br)c1=O ZINC000301786639 563412358 /nfs/dbraw/zinc/41/23/58/563412358.db2.gz LLZQBRCCEBJLLF-UHFFFAOYSA-N 1 0 383.334 2.635 20 0 GFADRO CNC(=O)N[C@H]1CCN(c2cc[nH+]c3cc(OC)c(Br)cc32)C1 ZINC000425243520 563414251 /nfs/dbraw/zinc/41/42/51/563414251.db2.gz QPDNCLBRSUBNNX-JTQLQIEISA-N 1 0 379.258 2.514 20 0 GFADRO CCC(CC)(CCO)[NH2+]CCS(=O)(=O)c1cccc(Br)c1 ZINC000282523015 563414677 /nfs/dbraw/zinc/41/46/77/563414677.db2.gz UBMVNVSSRMCRLR-UHFFFAOYSA-N 1 0 378.332 2.754 20 0 GFADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)C1(c2cc(F)cc(Br)c2)CC1 ZINC000375710203 563415200 /nfs/dbraw/zinc/41/52/00/563415200.db2.gz JQKWAVPRPZFCHO-JKSUJKDBSA-N 1 0 397.288 2.599 20 0 GFADRO COc1cc2[nH+]ccc(N3CC[C@H](C(=O)N(C)C)C3)c2cc1Br ZINC000425265668 563415545 /nfs/dbraw/zinc/41/55/45/563415545.db2.gz FJGUZQDVZHZVQM-NSHDSACASA-N 1 0 378.270 2.920 20 0 GFADRO Cc1cnc(NCCC[N@@H+]2CCCO[C@H](C)C2)c(I)c1 ZINC000425258703 563415777 /nfs/dbraw/zinc/41/57/77/563415777.db2.gz KSDSTXDNLBBRNZ-CYBMUJFWSA-N 1 0 389.281 2.907 20 0 GFADRO C[N@@H+]1C[C@@H]2CCCN(c3ncnc4ccc(I)cc43)[C@@H]2C1 ZINC000425280653 563416455 /nfs/dbraw/zinc/41/64/55/563416455.db2.gz HPAHVGJSGWZNOJ-XHDPSFHLSA-N 1 0 394.260 2.765 20 0 GFADRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2cc(Br)cc3nc[nH]c32)C1 ZINC000282584620 563416761 /nfs/dbraw/zinc/41/67/61/563416761.db2.gz VBRUGACPTBMNRC-XHDPSFHLSA-N 1 0 377.286 2.882 20 0 GFADRO CNS(=O)(=O)c1ccc(NCC2([NH+]3CCSCC3)CCCC2)c(F)c1 ZINC000301971182 563417498 /nfs/dbraw/zinc/41/74/98/563417498.db2.gz SAUVZDBCCCCTNP-UHFFFAOYSA-N 1 0 387.546 2.507 20 0 GFADRO COc1ccc([C@@H](C)[NH2+]CC2(OCCO)CCOCC2)c(Br)c1 ZINC000282674963 563420635 /nfs/dbraw/zinc/42/06/35/563420635.db2.gz JJJDNWQRCVKDEL-CYBMUJFWSA-N 1 0 388.302 2.666 20 0 GFADRO Cc1nc(NCc2ccc(N3CC[NH+](C)CC3)nc2)ccc1Br ZINC000302082892 563420363 /nfs/dbraw/zinc/42/03/63/563420363.db2.gz MFGXMWDFHGWDQW-UHFFFAOYSA-N 1 0 376.302 2.911 20 0 GFADRO O=S(=O)(c1cccs1)N1CC[C@@H](C[NH2+][C@H]2CCCC23CCOCC3)C1 ZINC000375840097 563420632 /nfs/dbraw/zinc/42/06/32/563420632.db2.gz OKDUFKVIONVNND-HOTGVXAUSA-N 1 0 384.567 2.698 20 0 GFADRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)C2(c3cncc(Br)c3)CC2)C1 ZINC000282684099 563420980 /nfs/dbraw/zinc/42/09/80/563420980.db2.gz JLKYDHQRUISKER-CQSZACIVSA-N 1 0 380.330 2.970 20 0 GFADRO Cc1cc(Br)oc1C(=O)N1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000375880069 563421813 /nfs/dbraw/zinc/42/18/13/563421813.db2.gz LGPLLFZGVNKAEX-CQSZACIVSA-N 1 0 384.318 2.591 20 0 GFADRO CC[NH+](CC)C[C@H]1CCCC[C@H]1NCc1ccc(S(=O)(=O)N(C)C)s1 ZINC000425435914 563422286 /nfs/dbraw/zinc/42/22/86/563422286.db2.gz UVDDTVFSAISDKN-NVXWUHKLSA-N 1 0 387.615 2.989 20 0 GFADRO CCc1cnc(NC(=O)C(=O)N[C@H](C[NH+](C)C)c2ccc(Cl)cc2)s1 ZINC000282758167 563423433 /nfs/dbraw/zinc/42/34/33/563423433.db2.gz HWWLYHIRMHIMQH-CQSZACIVSA-N 1 0 380.901 2.717 20 0 GFADRO Cc1nc(C)c(NC(=O)C(=O)N[C@@H](C[NH+](C)C)c2ccc(Cl)cc2)s1 ZINC000282781355 563424100 /nfs/dbraw/zinc/42/41/00/563424100.db2.gz KULGQKQKNXEXOT-AWEZNQCLSA-N 1 0 380.901 2.771 20 0 GFADRO COCC(C)(C)[NH+]1CCN([C@@H](C)C(=O)Nc2cccc(Br)c2)CC1 ZINC000425509891 563425577 /nfs/dbraw/zinc/42/55/77/563425577.db2.gz UTKROKAMMORFBV-AWEZNQCLSA-N 1 0 398.345 2.819 20 0 GFADRO COC(=O)[C@@H]1C[N@H+](CCn2cccn2)C[C@H]1c1ccc(Br)cc1 ZINC000425507022 563425724 /nfs/dbraw/zinc/42/57/24/563425724.db2.gz FBKGJDPQVZLUFS-JKSUJKDBSA-N 1 0 378.270 2.534 20 0 GFADRO COc1ccc(Br)c(CNC(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)c1 ZINC000425661416 563430109 /nfs/dbraw/zinc/43/01/09/563430109.db2.gz ZXXZJNDSDXBYSV-BLLLJJGKSA-N 1 0 382.302 2.693 20 0 GFADRO Cn1cc(-c2ncc(C[NH2+]CCOc3ccc(Br)cc3)cn2)cn1 ZINC000376125961 563430634 /nfs/dbraw/zinc/43/06/34/563430634.db2.gz AIONSRGKKGWBDK-UHFFFAOYSA-N 1 0 388.269 2.808 20 0 GFADRO Cc1cc([C@@H](C)[NH2+]C2CCN(c3nnnn3C)CC2)ccc1Br ZINC000376177394 563431858 /nfs/dbraw/zinc/43/18/58/563431858.db2.gz HMYKLYIAZKJHQB-GFCCVEGCSA-N 1 0 379.306 2.601 20 0 GFADRO CCCCC[N@H+](CCO)CC(=O)Nc1cccc(I)c1 ZINC000303734138 563434082 /nfs/dbraw/zinc/43/40/82/563434082.db2.gz WGSSUNJDRCBALU-UHFFFAOYSA-N 1 0 390.265 2.714 20 0 GFADRO Cn1ncc(C(=O)N[C@H](C[NH+](C)C)c2ccc(Cl)cc2)c1Br ZINC000283092940 563435113 /nfs/dbraw/zinc/43/51/13/563435113.db2.gz ZDBUQOABRCANNK-CYBMUJFWSA-N 1 0 385.693 2.869 20 0 GFADRO CC[NH+](CC)CCSCC(=O)NC[C@@H](O)c1cccc(Br)c1 ZINC000283161575 563437672 /nfs/dbraw/zinc/43/76/72/563437672.db2.gz IPWTZAJDGJHAHQ-OAHLLOKOSA-N 1 0 389.359 2.674 20 0 GFADRO Cn1ccnc1[C@H]1CCN(S(=O)(=O)Cc2cccc(Br)c2)C1 ZINC000376345895 563438533 /nfs/dbraw/zinc/43/85/33/563438533.db2.gz DJWKDKVHVJESCQ-ZDUSSCGKSA-N 1 0 384.299 2.502 20 0 GFADRO CCOc1ccc(Br)cc1S(=O)(=O)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000315121061 563439808 /nfs/dbraw/zinc/43/98/08/563439808.db2.gz NNLIMZGJHFFKMH-NEPJUHHUSA-N 1 0 391.331 2.514 20 0 GFADRO CCOc1ccc(Br)cc1S(=O)(=O)N1CCC[C@H](C)[C@H]1C[NH3+] ZINC000315748472 563440997 /nfs/dbraw/zinc/44/09/97/563440997.db2.gz GEIZVGALSHOERN-WCQYABFASA-N 1 0 391.331 2.596 20 0 GFADRO O=C(NCc1ccc(Cl)cc1Cl)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000283317644 563441431 /nfs/dbraw/zinc/44/14/31/563441431.db2.gz MYINXIMENLEEEM-UHFFFAOYSA-N 1 0 384.307 2.600 20 0 GFADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)C=Cc1c[nH]cn1 ZINC000283367629 563443003 /nfs/dbraw/zinc/44/30/03/563443003.db2.gz DRXGMARSMZEICX-BQYQJAHWSA-N 1 0 377.286 2.776 20 0 GFADRO C[C@@H](c1ncc(Br)cn1)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000376506090 563444216 /nfs/dbraw/zinc/44/42/16/563444216.db2.gz JDAXWAIFWYGAMM-HNNXBMFYSA-N 1 0 396.377 2.650 20 0 GFADRO [NH3+]C1(C(=O)N[C@H]2CCOc3ccc(Br)cc32)Cc2ccccc2C1 ZINC000376526098 563445468 /nfs/dbraw/zinc/44/54/68/563445468.db2.gz DIQBCBXCYVBVNX-INIZCTEOSA-N 1 0 387.277 2.885 20 0 GFADRO C[C@@H]1[C@H](NC(=O)N[C@@H]2CCN(c3cccc(Br)c3)C2)CCC[N@@H+]1C ZINC000426215221 563446823 /nfs/dbraw/zinc/44/68/23/563446823.db2.gz RCMGKUGTQBLFQR-FRFSOERESA-N 1 0 395.345 2.810 20 0 GFADRO Cc1cc(Br)c(C(=O)N2CCN(CC[NH+](C)C)CC2)cc1Cl ZINC000320804443 563447370 /nfs/dbraw/zinc/44/73/70/563447370.db2.gz HLOKFQPLCBHTQD-UHFFFAOYSA-N 1 0 388.737 2.730 20 0 GFADRO O=C(c1cccc(F)c1Br)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000322464361 563449879 /nfs/dbraw/zinc/44/98/79/563449879.db2.gz YQLKNNAEASLBCY-ZDUSSCGKSA-N 1 0 385.277 2.915 20 0 GFADRO CC(C)(C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000376667248 563450219 /nfs/dbraw/zinc/45/02/19/563450219.db2.gz NQENPRDAICCLCY-HUUCEWRRSA-N 1 0 384.929 2.635 20 0 GFADRO COC[C@@]1(CNC(=O)c2ccc(Br)cc2C(F)(F)F)CCC[NH2+]1 ZINC000324021558 563451501 /nfs/dbraw/zinc/45/15/01/563451501.db2.gz NPIKVTMKYAKDAX-AWEZNQCLSA-N 1 0 395.219 2.966 20 0 GFADRO Cc1cccc(Br)c1C(=O)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000324483651 563452076 /nfs/dbraw/zinc/45/20/76/563452076.db2.gz OZRBEBHYZSWOOC-UHFFFAOYSA-N 1 0 382.346 2.856 20 0 GFADRO CC[N@@H+]1CCC[C@@H](CN(C)C(=O)CSC(F)(F)F)[C@@H]1c1cnn(C)c1 ZINC000376735340 563452809 /nfs/dbraw/zinc/45/28/09/563452809.db2.gz GMBRXJLHWYWAGB-SWLSCSKDSA-N 1 0 378.464 2.905 20 0 GFADRO O=S(=O)(N[C@H]1CC[NH2+]C2(CCC2)C1)c1ccc(OC(F)F)c(Cl)c1 ZINC000325065168 563452956 /nfs/dbraw/zinc/45/29/56/563452956.db2.gz VEZIHRIIFOVNFT-JTQLQIEISA-N 1 0 380.844 2.894 20 0 GFADRO CC(C)(O)C[NH+]1CCN(C(=O)CCOc2ccc(Cl)c(Cl)c2)CC1 ZINC000324855860 563453228 /nfs/dbraw/zinc/45/32/28/563453228.db2.gz ZGDIFXMNKZYYOI-UHFFFAOYSA-N 1 0 375.296 2.677 20 0 GFADRO O=S1(=O)CC[C@@H]([NH2+]C[C@H]2CCN(CC(F)(F)F)C2)c2cc(F)ccc21 ZINC000326842204 563455864 /nfs/dbraw/zinc/45/58/64/563455864.db2.gz LXCMSTWKABMKFT-BXUZGUMPSA-N 1 0 380.407 2.518 20 0 GFADRO C[NH+]1CCC(N(Cc2ccccc2Br)C(=O)CCCC(N)=O)CC1 ZINC000426795444 563455951 /nfs/dbraw/zinc/45/59/51/563455951.db2.gz XKJLRNAJHMHULT-UHFFFAOYSA-N 1 0 396.329 2.528 20 0 GFADRO O=C([C@@H]1C[NH2+]Cc2ccccc21)N1CCN(Cc2ccc(Cl)s2)CC1 ZINC000327585497 563458582 /nfs/dbraw/zinc/45/85/82/563458582.db2.gz XNDRGWJDNDVGBH-QGZVFWFLSA-N 1 0 375.925 2.933 20 0 GFADRO Ic1cccc(C[NH2+]CCc2nnc3n2CCCCC3)c1 ZINC000283959364 563460230 /nfs/dbraw/zinc/46/02/30/563460230.db2.gz MYAQRMAYNMYZIN-UHFFFAOYSA-N 1 0 396.276 2.941 20 0 GFADRO CCC[NH+](CCC)CCCNC(=O)C(=O)Nc1nc(C(F)(F)F)cs1 ZINC000283988876 563461085 /nfs/dbraw/zinc/46/10/85/563461085.db2.gz DARQKZWRXOBMAZ-UHFFFAOYSA-N 1 0 380.436 2.729 20 0 GFADRO O=C(NCCCn1cc(Br)cn1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000377041733 563461266 /nfs/dbraw/zinc/46/12/66/563461266.db2.gz ISUDXONNEVHBGH-MRXNPFEDSA-N 1 0 398.349 2.696 20 0 GFADRO CC[N@H+](CCNC(=O)c1csc(-c2cnn(C)c2)n1)CCC(F)(F)F ZINC000427206608 563462630 /nfs/dbraw/zinc/46/26/30/563462630.db2.gz SPIQOHWZIJCPQQ-UHFFFAOYSA-N 1 0 375.420 2.548 20 0 GFADRO O=S(=O)(C[C@@H]1CCCO1)NC[C@H](c1c(F)cccc1Cl)N1CCCC1 ZINC000328704423 563462985 /nfs/dbraw/zinc/46/29/85/563462985.db2.gz KPEGIWYFIGGYQE-XJKSGUPXSA-N 1 0 390.908 2.714 20 0 GFADRO CC(C)[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000328741680 563463799 /nfs/dbraw/zinc/46/37/99/563463799.db2.gz NOTOLOQOAYQJAX-HEHGZKQESA-N 1 0 383.945 2.851 20 0 GFADRO C[N@@H+]1C[C@H](NC(=O)c2[nH]nc(C3CC3)c2Br)[C@@H](c2ccccc2)C1 ZINC000328993842 563469626 /nfs/dbraw/zinc/46/96/26/563469626.db2.gz DVXDVIPOFKZWNP-KGLIPLIRSA-N 1 0 389.297 2.877 20 0 GFADRO COC(=O)c1cn(CC[NH2+][C@@H]2CCSc3ccc(Br)cc32)nn1 ZINC000284390575 563473305 /nfs/dbraw/zinc/47/33/05/563473305.db2.gz PCRLXRBXSHKHJG-GFCCVEGCSA-N 1 0 397.298 2.654 20 0 GFADRO C[C@H]1C[C@@H](NC(=O)c2cc(Br)cnc2OCC2CC2)CC[N@@H+]1C ZINC000329152736 563474194 /nfs/dbraw/zinc/47/41/94/563474194.db2.gz BKQYQFYKIBBLMD-FZMZJTMJSA-N 1 0 382.302 2.845 20 0 GFADRO CC(C)n1cc([C@@H]2CN(Cc3cncc(Br)c3)C[C@H]2CO)cn1 ZINC000284464817 563476156 /nfs/dbraw/zinc/47/61/56/563476156.db2.gz ATNWNIKCTJWUEG-RDJZCZTQSA-N 1 0 379.302 2.829 20 0 GFADRO O=S(=O)(c1csc(-c2ccc(Cl)cc2)n1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000427935345 563479096 /nfs/dbraw/zinc/47/90/96/563479096.db2.gz OINAUJBBRSXQPH-TZMCWYRMSA-N 1 0 383.926 2.836 20 0 GFADRO CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCN(c3ccc(Br)cn3)C2)C1 ZINC000377581032 563479983 /nfs/dbraw/zinc/47/99/83/563479983.db2.gz JVRZXJZOKLTVCJ-LSDHHAIUSA-N 1 0 395.345 2.519 20 0 GFADRO CCc1[nH]nc(-c2nc([C@H]3C[N@@H+]4CCC[C@]4(C)CO3)no2)c1Br ZINC000329549919 563483081 /nfs/dbraw/zinc/48/30/81/563483081.db2.gz COUWHNIKKQHMGZ-MEBBXXQBSA-N 1 0 382.262 2.710 20 0 GFADRO [NH3+]CC1CCN(C(=O)[C@H](c2ccc(Cl)cc2Cl)N2CCOCC2)CC1 ZINC000428127201 563483202 /nfs/dbraw/zinc/48/32/02/563483202.db2.gz WENMDGVOZLHQSN-KRWDZBQOSA-N 1 0 386.323 2.564 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)c1cnc(Sc2nccn2C)c(Cl)c1 ZINC000428120989 563483377 /nfs/dbraw/zinc/48/33/77/563483377.db2.gz NPXIYKVCSXSRBY-RISCZKNCSA-N 1 0 379.917 2.962 20 0 GFADRO CC(C)n1nccc1[C@H]1OCC[C@@H]1[NH2+][C@H](C)Cn1cc(Br)cn1 ZINC000284634909 563483938 /nfs/dbraw/zinc/48/39/38/563483938.db2.gz NNGDHTHQZHJHGN-INWMFGNUSA-N 1 0 382.306 2.931 20 0 GFADRO OC[C@@H]1C[N@H+](C[C@@H](O)COCc2cccs2)C[C@H]1c1ccc(Cl)cc1 ZINC000377733090 563485127 /nfs/dbraw/zinc/48/51/27/563485127.db2.gz SDUGUKDZBWBIJF-WDYCEAGBSA-N 1 0 381.925 2.987 20 0 GFADRO Cc1cc(Br)ccc1C(=O)N1CCC([NH2+]Cc2cncn2C)CC1 ZINC000377795271 563487272 /nfs/dbraw/zinc/48/72/72/563487272.db2.gz AKTARCWXTLTUGZ-UHFFFAOYSA-N 1 0 391.313 2.885 20 0 GFADRO Cc1ccncc1CCC[NH2+][C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000377852421 563488488 /nfs/dbraw/zinc/48/84/88/563488488.db2.gz QCCYARQLKLSKRZ-QGZVFWFLSA-N 1 0 379.551 2.827 20 0 GFADRO C[N@@H+]1CC[C@H](CNS(=O)(=O)CCOc2ccccc2)[C@H]1c1cccs1 ZINC000377859477 563488772 /nfs/dbraw/zinc/48/87/72/563488772.db2.gz HTZBVFUJVKDUMM-QAPCUYQASA-N 1 0 380.535 2.739 20 0 GFADRO C[NH2+][C@@H]1CCN(C(=O)c2ccc(OCc3cc(C)no3)c(Br)c2)C1 ZINC000428422767 563491618 /nfs/dbraw/zinc/49/16/18/563491618.db2.gz OCVUIUNCOJMKKD-CYBMUJFWSA-N 1 0 394.269 2.758 20 0 GFADRO C[N@@H+]1CC[C@H](CNC(=O)CSc2n[n-]c(=S)s2)[C@@H]1c1cccs1 ZINC000377971139 563492179 /nfs/dbraw/zinc/49/21/79/563492179.db2.gz WLJAAGCULJOSAF-BXKDBHETSA-N 1 0 386.593 2.790 20 0 GFADRO C[NH+](C)[C@H]1CCN(c2ccc(NC(=O)C(=O)c3ccc(Cl)s3)nc2)C1 ZINC000428522550 563494790 /nfs/dbraw/zinc/49/47/90/563494790.db2.gz ZWOLKXDBDMEOFQ-LBPRGKRZSA-N 1 0 378.885 2.758 20 0 GFADRO CCc1[nH]nc(C(=O)Nc2cccc(C[N@@H+]3CC[C@@H](O)C3)c2)c1Br ZINC000428542617 563495612 /nfs/dbraw/zinc/49/56/12/563495612.db2.gz GJINKAMCXCQXNC-CYBMUJFWSA-N 1 0 393.285 2.554 20 0 GFADRO CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)c3ccc(Br)c(F)c3)C2)CC1 ZINC000378093567 563496179 /nfs/dbraw/zinc/49/61/79/563496179.db2.gz AMNVZJJKPLXUDO-OAHLLOKOSA-N 1 0 398.320 2.829 20 0 GFADRO O=S(=O)(c1ccc(F)cc1C(F)(F)F)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000378222109 563499202 /nfs/dbraw/zinc/49/92/02/563499202.db2.gz FMTGVLGWVJCHEM-SMDDNHRTSA-N 1 0 380.407 2.997 20 0 GFADRO COc1ccc(Br)cc1CC(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000378234867 563499604 /nfs/dbraw/zinc/49/96/04/563499604.db2.gz MRSNYIVCMJRCFW-CZUORRHYSA-N 1 0 381.314 2.991 20 0 GFADRO Cc1cccc(C(=O)NC[C@H]2CCC[C@H]2[NH+]2CCOCC2)c1Br ZINC000378273081 563501079 /nfs/dbraw/zinc/50/10/79/563501079.db2.gz QMCAUCKWQACEFB-GDBMZVCRSA-N 1 0 381.314 2.988 20 0 GFADRO Cc1cccc(C(=O)N2CCC[C@H](C[NH+]3CCN(C)CC3)C2)c1Br ZINC000378275415 563501290 /nfs/dbraw/zinc/50/12/90/563501290.db2.gz WSYGKMAMFQSHOE-MRXNPFEDSA-N 1 0 394.357 2.857 20 0 GFADRO O=C1[C@H]([NH2+][C@H](CO)c2ccc(Br)cc2)CCN1c1ccccc1 ZINC000428800601 563502154 /nfs/dbraw/zinc/50/21/54/563502154.db2.gz YAFHMDJGZVRTII-IAGOWNOFSA-N 1 0 375.266 2.878 20 0 GFADRO C[C@@H]1CN(C(=O)c2ccccc2Br)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000378317689 563503078 /nfs/dbraw/zinc/50/30/78/563503078.db2.gz PFQQUFZXMZRSQJ-PBHICJAKSA-N 1 0 380.330 2.547 20 0 GFADRO C[C@@H](c1ccccc1)[C@H]([NH2+]CC(=O)N(C)Cc1ccc(Cl)s1)C(N)=O ZINC000428847718 563503536 /nfs/dbraw/zinc/50/35/36/563503536.db2.gz VTXDPGKKJFWMNE-SJCJKPOMSA-N 1 0 379.913 2.607 20 0 GFADRO Cc1cc(C(=O)N2CCN(C3CC[NH+](C)CC3)[C@@H](C)C2)ccc1Br ZINC000378365255 563504637 /nfs/dbraw/zinc/50/46/37/563504637.db2.gz IUUCOWBFNWETPH-HNNXBMFYSA-N 1 0 394.357 2.998 20 0 GFADRO C[C@@H](NC(=O)c1cc(=O)[nH]c2c(Br)cccc12)[C@@H]1CCC[NH2+]C1 ZINC000428976295 563505735 /nfs/dbraw/zinc/50/57/35/563505735.db2.gz LHPWIGZIYSWEMV-GHMZBOCLSA-N 1 0 378.270 2.821 20 0 GFADRO C[C@@H](NC(=O)c1ccc(S(=O)(=O)c2ccccc2)s1)[C@@H]1CCC[NH2+]C1 ZINC000428993811 563506073 /nfs/dbraw/zinc/50/60/73/563506073.db2.gz NYZATWRXFVEZMJ-ZIAGYGMSSA-N 1 0 378.519 2.699 20 0 GFADRO O=C(CCCS(=O)(=O)c1ccc(Cl)cc1)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000285171089 563506320 /nfs/dbraw/zinc/50/63/20/563506320.db2.gz MWXHMBQCRXUWCN-IAGOWNOFSA-N 1 0 384.929 2.637 20 0 GFADRO Cc1cccc(OC[C@H](O)C[NH2+][C@H](CO)c2ccc(Br)c(F)c2)c1 ZINC000429018409 563507552 /nfs/dbraw/zinc/50/75/52/563507552.db2.gz HDRPYLQXFNXGFU-RDTXWAMCSA-N 1 0 398.272 2.960 20 0 GFADRO O=C1CNC(=O)N1CCC[NH2+][C@@H](c1cc(Cl)ccc1Cl)[C@H]1CCOC1 ZINC000378501517 563509867 /nfs/dbraw/zinc/50/98/67/563509867.db2.gz STJJWFSDEHEVRU-MEDUHNTESA-N 1 0 386.279 2.603 20 0 GFADRO C[C@@H]1CN(C(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CCCC2)CC[C@H]1[NH3+] ZINC000429175842 563510777 /nfs/dbraw/zinc/51/07/77/563510777.db2.gz LJFGIKMQAWFDBD-CZUORRHYSA-N 1 0 384.929 2.622 20 0 GFADRO CS(=O)(=O)CC[C@H]([NH3+])C(=O)N[C@@H]1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000378531453 563510873 /nfs/dbraw/zinc/51/08/73/563510873.db2.gz URTGEBGIYKOBHS-TUKIKUTGSA-N 1 0 393.336 2.508 20 0 GFADRO Cc1c(C(=O)N2CC[C@@H]([NH3+])[C@H](C)C2)cnn1-c1cccc(Br)c1 ZINC000429178640 563511973 /nfs/dbraw/zinc/51/19/73/563511973.db2.gz UPABJKZRYPKGDG-BDJLRTHQSA-N 1 0 377.286 2.753 20 0 GFADRO CCOC(=O)CN(C)C(=O)C[NH2+]C(C)(C)Cc1ccc(Br)c(C)c1 ZINC000429239132 563512571 /nfs/dbraw/zinc/51/25/71/563512571.db2.gz PLBILCABCJWGKM-UHFFFAOYSA-N 1 0 399.329 2.690 20 0 GFADRO CC1(C)Cc2ccc(Br)cc2[C@@H]1[NH2+]CC(=O)NC1CCOCC1 ZINC000429289887 563513146 /nfs/dbraw/zinc/51/31/46/563513146.db2.gz FGJYYHIDOHFQOS-KRWDZBQOSA-N 1 0 381.314 2.957 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1NS(C)(=O)=O)c1cccc(Br)c1 ZINC000330614523 563514270 /nfs/dbraw/zinc/51/42/70/563514270.db2.gz SWFBEIHCDLPNKR-GLQYFDAESA-N 1 0 375.332 2.960 20 0 GFADRO C[C@@H]1CN([C@H](C(N)=O)c2ccc(Br)cc2F)CC[N@@H+](C2CCC2)C1 ZINC000429375335 563515719 /nfs/dbraw/zinc/51/57/19/563515719.db2.gz YMTNNZUWOVBSCW-SJCJKPOMSA-N 1 0 398.320 2.921 20 0 GFADRO C[C@@H]1CN([C@@H](C(N)=O)c2cccc(Br)c2)CC[N@@H+](C2CCC2)C1 ZINC000429411789 563516476 /nfs/dbraw/zinc/51/64/76/563516476.db2.gz WSYQTBUUCVZMHC-SUMWQHHRSA-N 1 0 380.330 2.782 20 0 GFADRO COCC1(CNC(=O)c2cccc(Br)c2Cl)CC[NH2+]CC1 ZINC000385089549 563518059 /nfs/dbraw/zinc/51/80/59/563518059.db2.gz JMZFXIUMKIDPSU-UHFFFAOYSA-N 1 0 375.694 2.849 20 0 GFADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)c1cc(F)c(Br)c(Cl)c1 ZINC000285386934 563518102 /nfs/dbraw/zinc/51/81/02/563518102.db2.gz HBSVLUKZARJDJO-JTQLQIEISA-N 1 0 392.700 2.607 20 0 GFADRO C[C@H]([NH2+]C[C@H](CO)Cc1cccc(Br)c1)C(C)(C)n1cncn1 ZINC000285449699 563521379 /nfs/dbraw/zinc/52/13/79/563521379.db2.gz ZKVDKYKAJNMKHI-DZGCQCFKSA-N 1 0 381.318 2.605 20 0 GFADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNS(=O)(=O)c2ccc(Br)o2)C1 ZINC000330800957 563521765 /nfs/dbraw/zinc/52/17/65/563521765.db2.gz CXNDXAPHRUDATL-TXEJJXNPSA-N 1 0 379.320 2.688 20 0 GFADRO O=C(NC[C@H]1C[NH2+]CCCO1)c1ccc(Br)cc1C(F)(F)F ZINC000389755483 563521895 /nfs/dbraw/zinc/52/18/95/563521895.db2.gz WLMVGENXDKZFDO-SNVBAGLBSA-N 1 0 381.192 2.576 20 0 GFADRO O=C(CC[N@@H+]1CCO[C@@]2(CCCOC2)C1)Nc1ccccc1Br ZINC000285463083 563522238 /nfs/dbraw/zinc/52/22/38/563522238.db2.gz ZLVGVBAZUQHHBH-KRWDZBQOSA-N 1 0 383.286 2.659 20 0 GFADRO Cc1ccc([C@H](CCn2cncn2)[NH2+]CCn2cc(Br)cn2)cc1 ZINC000285540008 563525744 /nfs/dbraw/zinc/52/57/44/563525744.db2.gz DDJMUUCIIVFKRB-KRWDZBQOSA-N 1 0 389.301 2.967 20 0 GFADRO Cc1cccc(C)c1OC[C@@H](O)C[NH2+]CCCn1cc(Br)cn1 ZINC000392010976 563526185 /nfs/dbraw/zinc/52/61/85/563526185.db2.gz VSARYBPRXVSXOH-INIZCTEOSA-N 1 0 382.302 2.682 20 0 GFADRO C[C@H](O)C[C@H]1CCCCC[N@@H+]1Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000392248143 563526302 /nfs/dbraw/zinc/52/63/02/563526302.db2.gz GWFCSEPYWVQLOO-XJKSGUPXSA-N 1 0 394.313 2.973 20 0 GFADRO C[C@H](CC(=O)NCc1cc(Br)c2c(c1)OCCO2)[C@H]1CCC[NH2+]C1 ZINC000429886848 563527413 /nfs/dbraw/zinc/52/74/13/563527413.db2.gz GWUKWRMYHXAZPZ-OCCSQVGLSA-N 1 0 397.313 2.862 20 0 GFADRO O=S(=O)(C1CC1)N1CCC[C@@H]([NH2+]Cc2cc(Br)cs2)C1 ZINC000285577521 563527520 /nfs/dbraw/zinc/52/75/20/563527520.db2.gz UXPDMXNTPZOAJI-LLVKDONJSA-N 1 0 379.345 2.557 20 0 GFADRO C[C@@H](c1ccc(OC(F)(F)F)cc1)[NH+]1CCC(CNS(C)(=O)=O)CC1 ZINC000285589796 563528213 /nfs/dbraw/zinc/52/82/13/563528213.db2.gz XNAYPZDTEOYZCR-LBPRGKRZSA-N 1 0 380.432 2.907 20 0 GFADRO O=C(COC1C[NH2+]C1)N[C@H](c1ccccc1)c1ccc(Br)cc1 ZINC000429920910 563528855 /nfs/dbraw/zinc/52/88/55/563528855.db2.gz GXXGTPNOZRQDKZ-GOSISDBHSA-N 1 0 375.266 2.643 20 0 GFADRO C[C@@H]1C[N@H+](CC(=O)Nc2ccc(Cl)c(S(=O)(=O)N(C)C)c2)C(C)(C)C1 ZINC000331017890 563531359 /nfs/dbraw/zinc/53/13/59/563531359.db2.gz VVEKCXHNTVWPAD-LBPRGKRZSA-N 1 0 387.933 2.649 20 0 GFADRO C[C@@H]1C[C@H](C)N(S(=O)(=O)c2ccc(Br)cc2F)C[C@@H]1C[NH3+] ZINC000397335079 563531717 /nfs/dbraw/zinc/53/17/17/563531717.db2.gz XZZXJORSNQBGAJ-VWYCJHECSA-N 1 0 379.295 2.582 20 0 GFADRO CN1CCN(C(=O)c2c[nH]c(=O)c(Br)c2)C[C@@H]1Cc1ccccc1 ZINC000285698263 563532740 /nfs/dbraw/zinc/53/27/40/563532740.db2.gz BOEICMYVMUWIKF-HNNXBMFYSA-N 1 0 390.281 2.549 20 0 GFADRO CC(C)(C[NH3+])C(=O)N1CCC(C(=O)Nc2cccc(Br)c2)CC1 ZINC000430257856 563539280 /nfs/dbraw/zinc/53/92/80/563539280.db2.gz OETQEIFJPMCZOS-UHFFFAOYSA-N 1 0 382.302 2.611 20 0 GFADRO CN(Cc1c(Cl)cccc1Cl)C(=O)C(=O)NCCC1CC[NH+](C)CC1 ZINC000285847425 563539475 /nfs/dbraw/zinc/53/94/75/563539475.db2.gz GQQSJKILYGTIND-UHFFFAOYSA-N 1 0 386.323 2.800 20 0 GFADRO O=C1CCCN1CC[NH2+]Cc1ccc(Br)c(Br)c1 ZINC000405370404 563539780 /nfs/dbraw/zinc/53/97/80/563539780.db2.gz YQQNWMZQFUNTSH-UHFFFAOYSA-N 1 0 376.092 2.924 20 0 GFADRO C[C@H](C(=O)Nc1cccc(Br)c1)N1C[C@@H](N2CCOCC2)C[C@H]1C ZINC000285973529 563543928 /nfs/dbraw/zinc/54/39/28/563543928.db2.gz NRRIZYOPYPIFJZ-CPUCHLNUSA-N 1 0 396.329 2.571 20 0 GFADRO Cc1cc(I)ccc1NC(=O)CN[C@@](C)(C[NH3+])C(C)C ZINC000430556139 563545005 /nfs/dbraw/zinc/54/50/05/563545005.db2.gz QEARBNKJBHCTAJ-HNNXBMFYSA-N 1 0 389.281 2.501 20 0 GFADRO C[C@@H]1C[C@@H](N2CCOCC2)C[N@@H+]1C[C@@H](O)COc1cc(Cl)ccc1Cl ZINC000286021901 563545882 /nfs/dbraw/zinc/54/58/82/563545882.db2.gz PWLRFRQQLGLYNV-FVQBIDKESA-N 1 0 389.323 2.528 20 0 GFADRO C[C@H](C(=O)Nc1cccc(I)c1)N(C)CC(C)(C)C[NH3+] ZINC000430575349 563546013 /nfs/dbraw/zinc/54/60/13/563546013.db2.gz QONGRYCXPUCANM-LLVKDONJSA-N 1 0 389.281 2.535 20 0 GFADRO C[C@H](C(=O)Nc1ccc(Br)cc1Br)N1CC[C@@H]([NH3+])C1 ZINC000430608585 563546868 /nfs/dbraw/zinc/54/68/68/563546868.db2.gz DSBSZSBNJHVEQE-PSASIEDQSA-N 1 0 391.107 2.572 20 0 GFADRO CC[C@H]([NH2+][C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1)[C@H]1CCCO1 ZINC000430695013 563547466 /nfs/dbraw/zinc/54/74/66/563547466.db2.gz LYTSJJJRWXYFIL-LEWSCRJBSA-N 1 0 391.331 2.705 20 0 GFADRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1cnc2ccc(Br)cc2c1O ZINC000408192869 563547476 /nfs/dbraw/zinc/54/74/76/563547476.db2.gz ANRNRLIKPDLQFS-MEDUHNTESA-N 1 0 392.297 2.703 20 0 GFADRO [NH3+][C@H]1CCCCCC[C@@H]1C(=O)N1CCN(c2ccc(Br)cn2)CC1 ZINC000430695868 563547683 /nfs/dbraw/zinc/54/76/83/563547683.db2.gz ARPGDPSUAMDUSS-HOTGVXAUSA-N 1 0 395.345 2.790 20 0 GFADRO CCCN(CC(=O)Nc1c(F)cc(F)cc1Br)[C@@H]1CC[NH2+]C1 ZINC000430961429 563550792 /nfs/dbraw/zinc/55/07/92/563550792.db2.gz DEICYBZCGNOEAC-LLVKDONJSA-N 1 0 376.245 2.740 20 0 GFADRO CN(Cc1cc(Br)cs1)C(=O)C[NH2+][C@@H]1CCC[C@H]1CCO ZINC000286185903 563551554 /nfs/dbraw/zinc/55/15/54/563551554.db2.gz PMMJQNONXBRXDK-SMDDNHRTSA-N 1 0 375.332 2.610 20 0 GFADRO O=S(=O)(c1ccc(Br)cc1Cl)N1CCC2(CC[NH2+]C2)CC1 ZINC000431013727 563551601 /nfs/dbraw/zinc/55/16/01/563551601.db2.gz GJFKQPFDFGFSPG-UHFFFAOYSA-N 1 0 393.734 2.867 20 0 GFADRO Brc1ccc2oc(CN3CC[NH+](C4CCOCC4)CC3)nc2c1 ZINC000286258657 563553493 /nfs/dbraw/zinc/55/34/93/563553493.db2.gz DIACHQLCMHTAIX-UHFFFAOYSA-N 1 0 380.286 2.887 20 0 GFADRO Cc1cc([C@@H]2CCC[N@@H+]2CCCN2C(=O)CNC2=O)ccc1Br ZINC000331591616 563554656 /nfs/dbraw/zinc/55/46/56/563554656.db2.gz UUIZGCWJTXDUQN-HNNXBMFYSA-N 1 0 380.286 2.836 20 0 GFADRO [NH3+]CC[C@H]1CCCCN1C(=O)[C@@H]1CCN(c2ccccc2Br)C1=O ZINC000286322732 563556459 /nfs/dbraw/zinc/55/64/59/563556459.db2.gz YOMCXINFRIRADS-KGLIPLIRSA-N 1 0 394.313 2.532 20 0 GFADRO C[C@@H]1CN(C(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)c(Cl)c3)C2)C[C@H]1[NH3+] ZINC000331727282 563559330 /nfs/dbraw/zinc/55/93/30/563559330.db2.gz NDLJKTNXTNMDQR-AXAPSJFSSA-N 1 0 384.307 2.651 20 0 GFADRO O=C1[C@H](N2CC[C@H](C(F)(F)F)[C@@H](CO)C2)CCN1c1ccc(Cl)cc1 ZINC000286420494 563559496 /nfs/dbraw/zinc/55/94/96/563559496.db2.gz IIIOTAJTDOHBKQ-BYCMXARLSA-N 1 0 376.806 2.938 20 0 GFADRO C[C@H](NC(=O)N(C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O)[C@@H]1CCC[NH2+]C1 ZINC000331728637 563559778 /nfs/dbraw/zinc/55/97/78/563559778.db2.gz ZPMMURCEXXDWKD-SKZFOKARSA-N 1 0 386.323 2.981 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)Cc2nnnn2-c2ccccc2Br)C[C@H]1C ZINC000331998779 563570499 /nfs/dbraw/zinc/57/04/99/563570499.db2.gz ZRDNFEZOVLQVNQ-KGLIPLIRSA-N 1 0 393.333 2.729 20 0 GFADRO CS(=O)(=O)c1cccc(OCC[NH2+][C@H](CCO)c2ccc(Cl)cc2)c1 ZINC000286715522 563571757 /nfs/dbraw/zinc/57/17/57/563571757.db2.gz FYVAMNIYDJYLOG-GOSISDBHSA-N 1 0 383.897 2.836 20 0 GFADRO C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)N1CCC[C@](F)(CO)C1 ZINC000286735005 563572483 /nfs/dbraw/zinc/57/24/83/563572483.db2.gz DDZADUHISDIWAN-SUMWQHHRSA-N 1 0 387.293 2.592 20 0 GFADRO C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)N1CCC[C@@](F)(CO)C1 ZINC000286735002 563572857 /nfs/dbraw/zinc/57/28/57/563572857.db2.gz DDZADUHISDIWAN-GUYCJALGSA-N 1 0 387.293 2.592 20 0 GFADRO CC[NH+](CC)CC1CCN(S(=O)(=O)c2c[nH]c3nccc(Cl)c23)CC1 ZINC000332041168 563573021 /nfs/dbraw/zinc/57/30/21/563573021.db2.gz VOLXZBYKIRQTLH-UHFFFAOYSA-N 1 0 384.933 2.959 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1ccn(-c2ccc(Br)cc2)n1 ZINC000432022321 563573607 /nfs/dbraw/zinc/57/36/07/563573607.db2.gz YGQJUDDSVCPSQA-NVXWUHKLSA-N 1 0 389.297 2.991 20 0 GFADRO CC(C)[NH+]1CCC(O)(CNC(=O)c2c[nH]c3cccc(Br)c23)CC1 ZINC000332075161 563574360 /nfs/dbraw/zinc/57/43/60/563574360.db2.gz YOSFBTVOVBFBBK-UHFFFAOYSA-N 1 0 394.313 2.896 20 0 GFADRO NC(=O)[C@H]1CCCN(C(=O)C[NH2+][C@H]2CCOc3c(Br)cccc32)C1 ZINC000332132819 563578211 /nfs/dbraw/zinc/57/82/11/563578211.db2.gz IJRSVWWGXZFIOO-FZMZJTMJSA-N 1 0 396.285 2.636 20 0 GFADRO CS[C@@H]1CN(C(=O)C[C@H]2Sc3ccc(Cl)cc3NC2=O)C[C@H]1[NH+](C)C ZINC000332138174 563578926 /nfs/dbraw/zinc/57/89/26/563578926.db2.gz ISOPEVGKNXQPSB-BPLDGKMQSA-N 1 0 399.969 2.647 20 0 GFADRO COc1cc(OC)c(NC(=O)NCC[N@H+]2CC=CCC2)cc1Br ZINC000432572797 563586816 /nfs/dbraw/zinc/58/68/16/563586816.db2.gz JDRLVIMOQVROSW-UHFFFAOYSA-N 1 0 384.274 2.850 20 0 GFADRO CC(C)(O)C[NH+]1CCN(C(=O)N[C@H]2CCc3cc(Br)ccc32)CC1 ZINC000332248630 563587850 /nfs/dbraw/zinc/58/78/50/563587850.db2.gz LGDKGQHRWSZALO-INIZCTEOSA-N 1 0 396.329 2.535 20 0 GFADRO C[N@H+](C[C@@H](O)COc1ccc(C(F)(F)F)cc1)C[C@@](C)(O)C(F)(F)F ZINC000410392143 563589148 /nfs/dbraw/zinc/58/91/48/563589148.db2.gz JTLSNYIXMSIQRH-DGCLKSJQSA-N 1 0 375.309 2.690 20 0 GFADRO COC(=O)c1cccc(Br)c1CN1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000432798108 563593767 /nfs/dbraw/zinc/59/37/67/563593767.db2.gz NQZDSNLNNGYONP-CYBMUJFWSA-N 1 0 399.329 2.513 20 0 GFADRO C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@@H]2CCSc3ccc(Cl)cc32)[C@@H](C)C1 ZINC000332326830 563593765 /nfs/dbraw/zinc/59/37/65/563593765.db2.gz JGMGDTYTWFQPLQ-HEHGZKQESA-N 1 0 383.945 2.973 20 0 GFADRO Cc1ccc(NC(=O)C2CC[NH+]([C@H]3CCSC3)CC2)cc1S(C)(=O)=O ZINC000332336965 563594420 /nfs/dbraw/zinc/59/44/20/563594420.db2.gz UXIHXAXODXHAIF-INIZCTEOSA-N 1 0 382.551 2.555 20 0 GFADRO COc1cc(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)cc(Br)c1OC ZINC000332351890 563595004 /nfs/dbraw/zinc/59/50/04/563595004.db2.gz UZTRJPBRSBLEAF-KBPBESRZSA-N 1 0 383.286 2.823 20 0 GFADRO C[NH+]1CCC(O)(CNC(=O)Nc2cccc3cc(Br)cnc32)CC1 ZINC000287289928 563595024 /nfs/dbraw/zinc/59/50/24/563595024.db2.gz SGQPSFCPUVOIHP-UHFFFAOYSA-N 1 0 393.285 2.576 20 0 GFADRO C[C@H]1C[N@H+](CCCNc2ncccc2I)CCCO1 ZINC000432857471 563595286 /nfs/dbraw/zinc/59/52/86/563595286.db2.gz DCAQCDDDCLAEAY-LBPRGKRZSA-N 1 0 375.254 2.599 20 0 GFADRO CN(Cc1c(Cl)cccc1Cl)C(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000410728596 563596093 /nfs/dbraw/zinc/59/60/93/563596093.db2.gz FSXPZZQGGAKNMG-OLZOCXBDSA-N 1 0 384.307 2.647 20 0 GFADRO Cn1cc(Br)c(CN2CCC(CCC[NH+]3CCOCC3)CC2)n1 ZINC000432874777 563596259 /nfs/dbraw/zinc/59/62/59/563596259.db2.gz VTTFRECQPGBFMA-UHFFFAOYSA-N 1 0 385.350 2.507 20 0 GFADRO C[C@@H](Cn1cc(Br)cn1)[NH2+]Cc1ccncc1OC[C@H]1CCOC1 ZINC000287342116 563597682 /nfs/dbraw/zinc/59/76/82/563597682.db2.gz NAWNXZIZQCUTPU-KBPBESRZSA-N 1 0 395.301 2.634 20 0 GFADRO C[NH+]1CCC(O)(CNC(=O)Nc2cc(F)c(Br)c(Cl)c2)CC1 ZINC000287369264 563598523 /nfs/dbraw/zinc/59/85/23/563598523.db2.gz KMYBPSZVDMAOIS-UHFFFAOYSA-N 1 0 394.672 2.820 20 0 GFADRO CN(C(=O)Nc1cc(F)c(I)c(F)c1)C1CC([NH3+])C1 ZINC000332457411 563599533 /nfs/dbraw/zinc/59/95/33/563599533.db2.gz IYWXWXCATCOFMP-UHFFFAOYSA-N 1 0 381.164 2.523 20 0 GFADRO CN(Cc1c(Cl)cccc1Cl)C(=O)C(=O)N1CC[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000410974092 563600657 /nfs/dbraw/zinc/60/06/57/563600657.db2.gz ISWFXBMJTLWMIA-WBMJQRKESA-N 1 0 384.307 2.504 20 0 GFADRO COc1ccc(NC(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)c(Br)c1 ZINC000332481235 563600886 /nfs/dbraw/zinc/60/08/86/563600886.db2.gz BTGMAKIVYFVEIB-ZDUSSCGKSA-N 1 0 398.301 2.644 20 0 GFADRO C[N@H+](CCCc1ccc(Cl)cc1)CCOc1ccc(S(N)(=O)=O)cc1 ZINC000433042343 563600961 /nfs/dbraw/zinc/60/09/61/563600961.db2.gz GALKUZBEAGVIRA-UHFFFAOYSA-N 1 0 382.913 2.931 20 0 GFADRO CC[C@H](C)[N@H+](C)CCNC(=O)Nc1cccc(C(=O)NC)c1Br ZINC000287470004 563603101 /nfs/dbraw/zinc/60/31/01/563603101.db2.gz RGDXRQIZXPQSTO-NSHDSACASA-N 1 0 385.306 2.661 20 0 GFADRO CC(C)[C@@H](C[NH3+])C(=O)N1CCN([C@@H](C)c2ccc(Br)cc2)CC1 ZINC000433177663 563604749 /nfs/dbraw/zinc/60/47/49/563604749.db2.gz VGYGJSJBCKCMJV-WMLDXEAASA-N 1 0 382.346 2.885 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)C[N@H+]1CC[C@@H](C)[C@@H]1C ZINC000332574080 563604771 /nfs/dbraw/zinc/60/47/71/563604771.db2.gz XQNNFBVBMDCUAL-OCCSQVGLSA-N 1 0 396.329 2.885 20 0 GFADRO C[C@H]([NH2+]CCC1(O)CCOCC1)c1ccc(I)cc1 ZINC000287516636 563605239 /nfs/dbraw/zinc/60/52/39/563605239.db2.gz OJDNVAFGQXPXGW-LBPRGKRZSA-N 1 0 375.250 2.873 20 0 GFADRO COCC[N@H+](CCCS(=O)(=O)c1ccc(F)cc1)[C@@H]1CCCSC1 ZINC000433190333 563605882 /nfs/dbraw/zinc/60/58/82/563605882.db2.gz VDRBUPGXASJZMA-MRXNPFEDSA-N 1 0 375.531 2.834 20 0 GFADRO O=C(C[N@H+]1CC[C@H](Cc2ccc(Br)cc2)C1)NC[C@@H]1CCCO1 ZINC000433315841 563609267 /nfs/dbraw/zinc/60/92/67/563609267.db2.gz ZHMCIBVHBWJZNU-WBVHZDCISA-N 1 0 381.314 2.609 20 0 GFADRO C[C@@H]([NH3+])C1CCN(C(=O)N[C@H]2CCN(c3cccc(Br)c3)C2)CC1 ZINC000332657507 563610317 /nfs/dbraw/zinc/61/03/17/563610317.db2.gz JSCRBXLLCKOHQY-CJNGLKHVSA-N 1 0 395.345 2.797 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)N[C@@H]1CCN(c2ccccc2Br)C1 ZINC000332651558 563610346 /nfs/dbraw/zinc/61/03/46/563610346.db2.gz ILBUZYXVDJIQCL-SQWLQELKSA-N 1 0 395.345 2.939 20 0 GFADRO C[C@H]1C[N@H+](CCCNC(=O)NCCc2ccc(Br)cc2)CCCO1 ZINC000433391077 563611405 /nfs/dbraw/zinc/61/14/05/563611405.db2.gz UMHRZEHJOYZODR-HNNXBMFYSA-N 1 0 398.345 2.792 20 0 GFADRO C[C@@H]1[C@H](C)N(C(=O)Nc2nnc(-c3ccc(Cl)cc3F)s2)CC[N@H+]1C ZINC000332688039 563611557 /nfs/dbraw/zinc/61/15/57/563611557.db2.gz UMXISXWYTJZSAJ-ZJUUUORDSA-N 1 0 383.880 3.554 20 0 GFADRO O=C(NCc1cn2cc(Cl)ccc2n1)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000411252479 563612074 /nfs/dbraw/zinc/61/20/74/563612074.db2.gz JVHIALXNDUZRGI-INIZCTEOSA-N 1 0 378.929 2.821 20 0 GFADRO C[C@H]1C[C@H](NC(=O)c2ccn(-c3cccc(Br)c3)n2)CC[N@@H+]1C ZINC000332714556 563613266 /nfs/dbraw/zinc/61/32/66/563613266.db2.gz ZKSSKFLHOXYMNK-GXTWGEPZSA-N 1 0 377.286 2.847 20 0 GFADRO C[NH+](C)C[C@@H]1CCN(C(=O)N[C@@H](c2cncc(Br)c2)C2CC2)C1 ZINC000287681143 563613482 /nfs/dbraw/zinc/61/34/82/563613482.db2.gz FASJOKRPUZPBKO-BLLLJJGKSA-N 1 0 381.318 2.888 20 0 GFADRO COC(=O)c1csc([C@@H](C)[NH2+]C2CCN(S(=O)(=O)C(C)(C)C)CC2)c1 ZINC000287671019 563613525 /nfs/dbraw/zinc/61/35/25/563613525.db2.gz VUDKZMRYSYSMIH-GFCCVEGCSA-N 1 0 388.555 2.778 20 0 GFADRO CN(C1CC[NH+](C)CC1)S(=O)(=O)c1cc(Br)sc1Cl ZINC000433629546 563616947 /nfs/dbraw/zinc/61/69/47/563616947.db2.gz XFWYNPPXLMKMER-UHFFFAOYSA-N 1 0 387.752 2.879 20 0 GFADRO O=C(Cc1ccccc1I)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000433738872 563618412 /nfs/dbraw/zinc/61/84/12/563618412.db2.gz GZOQYGKVGODTKB-OAHLLOKOSA-N 1 0 398.288 2.921 20 0 GFADRO CS[C@H]1C[N@H+](CCC(=O)Nc2ccccc2Br)C[C@@H]1N(C)C ZINC000411432370 563618537 /nfs/dbraw/zinc/61/85/37/563618537.db2.gz YUYFAIBULUECHK-GJZGRUSLSA-N 1 0 386.359 2.755 20 0 GFADRO O=C(CC[N@H+]1CCSC[C@@H]1CO)N[C@@H](c1cccs1)c1ccccc1 ZINC000411421324 563619125 /nfs/dbraw/zinc/61/91/25/563619125.db2.gz INLJCLNDJFAROT-QFBILLFUSA-N 1 0 376.547 2.754 20 0 GFADRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2ncsc2Br)[C@@H](C)C1 ZINC000287847755 563619893 /nfs/dbraw/zinc/61/98/93/563619893.db2.gz CBVFPSXPYYCNKY-NWDGAFQWSA-N 1 0 390.347 2.772 20 0 GFADRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)Nc3cnn(-c4ccccc4Br)c3)C[C@H]12 ZINC000333098753 563620183 /nfs/dbraw/zinc/62/01/83/563620183.db2.gz DNXBZLXAUZUGLX-CORIIIEPSA-N 1 0 390.285 2.836 20 0 GFADRO COC(=O)c1cc(C[NH2+][C@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)cs1 ZINC000411461178 563620176 /nfs/dbraw/zinc/62/01/76/563620176.db2.gz SKYYEDCBDMORRM-GFCCVEGCSA-N 1 0 382.507 2.636 20 0 GFADRO Cc1cccc(Cl)c1S(=O)(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000333145671 563622022 /nfs/dbraw/zinc/62/20/22/563622022.db2.gz KBPLXVHWFCHQKE-SJORKVTESA-N 1 0 386.945 2.695 20 0 GFADRO C[C@H](c1cccc(S(N)(=O)=O)c1)[N@H+](C)C[C@H](O)Cc1cccc(Cl)c1 ZINC000287906023 563622409 /nfs/dbraw/zinc/62/24/09/563622409.db2.gz VEMMNNHXMXQYEQ-CXAGYDPISA-N 1 0 382.913 2.584 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(C(=O)Nc3ccc4nccnc4c3Br)C[C@@H]21 ZINC000333210036 563624122 /nfs/dbraw/zinc/62/41/22/563624122.db2.gz TUBPXVUXJPLVEP-MFKMUULPSA-N 1 0 376.258 2.560 20 0 GFADRO C[NH+](C)CCOc1ccc(CNC(=O)c2ncsc2Br)cc1 ZINC000287969918 563624355 /nfs/dbraw/zinc/62/43/55/563624355.db2.gz IWOIUSBOLIVZCE-UHFFFAOYSA-N 1 0 384.299 2.776 20 0 GFADRO C[NH+](C)[C@]1(CNC(=O)N(CCCO)Cc2cccc(Cl)c2)CCSC1 ZINC000434030054 563624815 /nfs/dbraw/zinc/62/48/15/563624815.db2.gz FYCPRAGOOJDYAO-SFHVURJKSA-N 1 0 385.961 2.671 20 0 GFADRO CC(C)[NH+]1CCC(N(C)S(=O)(=O)c2cccc3c2OC(F)(F)O3)CC1 ZINC000333239330 563625270 /nfs/dbraw/zinc/62/52/70/563625270.db2.gz ZPBLSMMSGCJPPK-UHFFFAOYSA-N 1 0 376.425 2.501 20 0 GFADRO Cc1c(Br)cccc1NC(=O)C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000288012320 563625928 /nfs/dbraw/zinc/62/59/28/563625928.db2.gz HGOGNKCGNGZYAN-PBWFPOADSA-N 1 0 394.313 2.780 20 0 GFADRO COc1cc(Br)ccc1C(=O)N1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000333253734 563626152 /nfs/dbraw/zinc/62/61/52/563626152.db2.gz HIIHPFXXSVJDJB-RDJZCZTQSA-N 1 0 397.313 2.816 20 0 GFADRO COc1cc(Br)ccc1C(=O)N1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000333264781 563626231 /nfs/dbraw/zinc/62/62/31/563626231.db2.gz JIORPJPXXOUTFF-GOEBONIOSA-N 1 0 397.313 2.816 20 0 GFADRO O=C(NCc1ccc(O)c(Br)c1)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000333290372 563627253 /nfs/dbraw/zinc/62/72/53/563627253.db2.gz HUIZZCZANJZCMD-OAHLLOKOSA-N 1 0 382.302 2.828 20 0 GFADRO [NH3+][C@H]1CCO[C@@H](C2CCN(C(=O)Cc3ccc(F)c(Br)c3)CC2)C1 ZINC000333291260 563627551 /nfs/dbraw/zinc/62/75/51/563627551.db2.gz ORUSTAYFHUZVBO-WMLDXEAASA-N 1 0 399.304 2.876 20 0 GFADRO CS[C@@H]1CN(S(=O)(=O)c2c[nH]c3cccc(F)c32)C[C@H]1[NH+]1CCCC1 ZINC000333318945 563627934 /nfs/dbraw/zinc/62/79/34/563627934.db2.gz KUPIQDMMNWLKSZ-HUUCEWRRSA-N 1 0 383.514 2.507 20 0 GFADRO COCC[N@H+](CCC(=O)Nc1ccccc1Br)[C@@H]1CCO[C@@H]1C ZINC000411656147 563628462 /nfs/dbraw/zinc/62/84/62/563628462.db2.gz PKVWMSNWPUEQFL-CZUORRHYSA-N 1 0 385.302 2.904 20 0 GFADRO C[C@H]1CC2(CN1S(=O)(=O)N(C)Cc1c(F)cccc1Cl)CC[NH2+]CC2 ZINC000333363093 563629258 /nfs/dbraw/zinc/62/92/58/563629258.db2.gz DFOJWDOXMVMKHE-ZDUSSCGKSA-N 1 0 389.924 2.620 20 0 GFADRO Cc1nc2cc(Br)cc(NC(=O)N3CC[C@@H]4C[NH2+]C[C@H]4C3)c2o1 ZINC000333373229 563629649 /nfs/dbraw/zinc/62/96/49/563629649.db2.gz VHZWTYSWIJWUHY-MNOVXSKESA-N 1 0 379.258 2.972 20 0 GFADRO C[C@@H]1C[C@@]1([NH2+]CCC(=O)NC(=O)NCC(F)(F)F)c1ccc(Cl)cc1 ZINC000411695510 563630177 /nfs/dbraw/zinc/63/01/77/563630177.db2.gz SZAPYLBAQKFCGV-BMIGLBTASA-N 1 0 377.794 2.943 20 0 GFADRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)NCC3(c4cccc(Br)c4)CC3)C[C@H]12 ZINC000333396949 563630601 /nfs/dbraw/zinc/63/06/01/563630601.db2.gz PMNBIKOYOIMZJH-UHOFOFEASA-N 1 0 378.314 2.859 20 0 GFADRO COc1cc(OC)c(NC(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)cc1Br ZINC000333411146 563631423 /nfs/dbraw/zinc/63/14/23/563631423.db2.gz ZXVYHINMOUBIQT-QWRGUYRKSA-N 1 0 384.274 2.540 20 0 GFADRO C[N@H+](CCC(=O)NC(=O)NCC(F)(F)F)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000411742589 563632244 /nfs/dbraw/zinc/63/22/44/563632244.db2.gz DXRUMGGGNBSDFP-ZJUUUORDSA-N 1 0 377.329 2.818 20 0 GFADRO C[C@H](NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C)C[C@H]1C)c1cccc(Cl)c1Cl ZINC000288211981 563633818 /nfs/dbraw/zinc/63/38/18/563633818.db2.gz OWMFSQNHSRUUCO-TYNCELHUSA-N 1 0 386.323 2.969 20 0 GFADRO [NH3+][C@@H]1CCCO[C@H]1C1CCN(S(=O)(=O)c2ccc(C(F)(F)F)s2)CC1 ZINC000333499423 563634444 /nfs/dbraw/zinc/63/44/44/563634444.db2.gz FEWVFYCSOWMNDE-RISCZKNCSA-N 1 0 398.472 2.674 20 0 GFADRO COCC[C@H](Cc1cccc(Br)c1)C(=O)N[C@H]1CCC[NH2+][C@@H]1C ZINC000434709569 563635244 /nfs/dbraw/zinc/63/52/44/563635244.db2.gz VKDRYYAHQVFOLO-UNEWFSDZSA-N 1 0 383.330 2.901 20 0 GFADRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)C1(c2cncc(Br)c2)CC1 ZINC000288280454 563636460 /nfs/dbraw/zinc/63/64/60/563636460.db2.gz HGZVRQBGBMQHAE-CZUORRHYSA-N 1 0 378.314 2.961 20 0 GFADRO O=C(NCc1cc(F)c(F)cc1Br)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000333680517 563639411 /nfs/dbraw/zinc/63/94/11/563639411.db2.gz ZOBGCEXFJWUVAN-JBLDHEPKSA-N 1 0 388.256 2.915 20 0 GFADRO C[C@]1(CNC(=O)N[C@H]2COc3cc(F)c(Br)cc32)CCC[NH2+]C1 ZINC000333744183 563640476 /nfs/dbraw/zinc/64/04/76/563640476.db2.gz JFNSJJAICXEDHK-BBRMVZONSA-N 1 0 386.265 2.711 20 0 GFADRO CN(C(=O)N[C@H]1COc2cc(F)c(Br)cc21)[C@H]1CCC[NH2+]CC1 ZINC000333723381 563640645 /nfs/dbraw/zinc/64/06/45/563640645.db2.gz GVLOZBZEPXININ-HZMBPMFUSA-N 1 0 386.265 2.805 20 0 GFADRO Cc1cc([C@H]2CCCN2C(=O)NC[C@@H]2C[NH2+]CCCO2)ccc1Br ZINC000333831779 563643327 /nfs/dbraw/zinc/64/33/27/563643327.db2.gz MRFQRDHYEJZJJA-DOTOQJQBSA-N 1 0 396.329 2.983 20 0 GFADRO Cc1nc(C(=O)N2CCC3(CC[NH2+]3)CC2)nn1-c1c(Cl)cccc1Cl ZINC000333895276 563644548 /nfs/dbraw/zinc/64/45/48/563644548.db2.gz YYCATQQDGUDNCW-UHFFFAOYSA-N 1 0 380.279 2.851 20 0 GFADRO COC(=O)[C@H]1CSCC[N@H+](C[C@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000412062279 563645408 /nfs/dbraw/zinc/64/54/08/563645408.db2.gz BGVRNQXMPOZSII-NEPJUHHUSA-N 1 0 394.320 2.571 20 0 GFADRO COC(=O)[C@@H]1CSCC[N@H+](C[C@@H](O)CO[C@@H](C)c2ccc(Cl)cc2)C1 ZINC000412061047 563646064 /nfs/dbraw/zinc/64/60/64/563646064.db2.gz AHZABMSXVBVTPB-JLJPHGGASA-N 1 0 387.929 2.617 20 0 GFADRO COC(=O)[C@@H]1CSCC[N@H+](C[C@@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000412091656 563647852 /nfs/dbraw/zinc/64/78/52/563647852.db2.gz YXOISPPQAAGWSW-WCQYABFASA-N 1 0 394.320 2.571 20 0 GFADRO COC(=O)c1ccc(Br)cc1C[N@H+](C)C(C)(C)CN1CCOCC1 ZINC000412097726 563648552 /nfs/dbraw/zinc/64/85/52/563648552.db2.gz PFEZKOZSNPXJKM-UHFFFAOYSA-N 1 0 399.329 2.778 20 0 GFADRO CO[C@H]1CCN(Cc2nc(-c3ccc(Br)cc3)c[nH]2)[C@@H](C[NH3+])C1 ZINC000435387299 563648672 /nfs/dbraw/zinc/64/86/72/563648672.db2.gz ZGZDYRYRKWRAOZ-CABCVRRESA-N 1 0 379.302 2.777 20 0 GFADRO OC[C@@H]1C[N@H+](Cc2c(-c3ccc(Cl)cc3)nc3sccn23)CC[C@@H]1O ZINC000412107877 563648885 /nfs/dbraw/zinc/64/88/85/563648885.db2.gz RRWCJXRPHIQDAW-BBRMVZONSA-N 1 0 377.897 2.891 20 0 GFADRO Cc1c(Br)cccc1S(=O)(=O)N[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000435444997 563652330 /nfs/dbraw/zinc/65/23/30/563652330.db2.gz UGHFRXYGFNDQOR-ZDUSSCGKSA-N 1 0 375.332 2.909 20 0 GFADRO NC(=O)c1ccc(C(=O)N(Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)s1 ZINC000435564791 563653649 /nfs/dbraw/zinc/65/36/49/563653649.db2.gz IRSINILYQZKNDJ-OAHLLOKOSA-N 1 0 375.519 2.693 20 0 GFADRO COC(=O)CC[C@H]([NH3+])C(=O)Nc1nc(-c2cccc(Br)c2)cs1 ZINC000288694285 563653902 /nfs/dbraw/zinc/65/39/02/563653902.db2.gz XSEPDQIFNDBTSC-NSHDSACASA-N 1 0 398.282 2.792 20 0 GFADRO CN(CC(F)(F)F)C(=O)CN(Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435689990 563656236 /nfs/dbraw/zinc/65/62/36/563656236.db2.gz ATVDUECAQAEUJD-CQSZACIVSA-N 1 0 375.460 2.713 20 0 GFADRO COc1ccccc1CCNC(=O)C[NH2+]Cc1ccc(Br)s1 ZINC000435740936 563657694 /nfs/dbraw/zinc/65/76/94/563657694.db2.gz MMWMVCIYLIPZEF-UHFFFAOYSA-N 1 0 383.311 2.968 20 0 GFADRO C[NH+]1CCC(CNC(=O)c2cc(Cl)cc(Cl)c2)(N2CCOCC2)CC1 ZINC000412487749 563659575 /nfs/dbraw/zinc/65/95/75/563659575.db2.gz ZKZUMPMBQZKTGO-UHFFFAOYSA-N 1 0 386.323 2.520 20 0 GFADRO C[N@@H+]1CC[C@@H](c2nc(Cc3cc(Br)c4c(c3)OCCO4)no2)C1 ZINC000350019782 563667286 /nfs/dbraw/zinc/66/72/86/563667286.db2.gz CRLZNOGBPVJOQE-LLVKDONJSA-N 1 0 380.242 2.613 20 0 GFADRO O=C(NC[C@H]1CCN(c2cccc(Br)c2)C1)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000436310599 563669305 /nfs/dbraw/zinc/66/93/05/563669305.db2.gz QONVLOHLYPHHDR-SPYBWZPUSA-N 1 0 392.341 2.781 20 0 GFADRO Cc1cc(N2CCC([NH2+]Cc3cn4ccc(Br)cc4n3)CC2)n[nH]1 ZINC000289462602 563674951 /nfs/dbraw/zinc/67/49/51/563674951.db2.gz IIEJMALXNUFAHZ-UHFFFAOYSA-N 1 0 389.301 2.887 20 0 GFADRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cn3ccc(Br)cc3n2)[C@@]12CCCO2 ZINC000289511224 563676375 /nfs/dbraw/zinc/67/63/75/563676375.db2.gz NAWZOMVJSYPRJJ-INMHGKMJSA-N 1 0 380.286 2.913 20 0 GFADRO CCO[C@@H]1C[C@H]([NH2+]Cc2cn3ccc(Br)cc3n2)[C@]12CCCO2 ZINC000289511235 563676608 /nfs/dbraw/zinc/67/66/08/563676608.db2.gz NAWZOMVJSYPRJJ-ZMSDIMECSA-N 1 0 380.286 2.913 20 0 GFADRO CCS(=O)(=O)NC1CC[NH+](C[C@@H](C)c2cccc(Br)c2)CC1 ZINC000289554765 563678796 /nfs/dbraw/zinc/67/87/96/563678796.db2.gz YBCGUVGTPGBZNF-CYBMUJFWSA-N 1 0 389.359 2.956 20 0 GFADRO COC[C@]1(C[NH2+]Cc2c(Br)c(C)nn2C)OCCc2ccccc21 ZINC000289675865 563682601 /nfs/dbraw/zinc/68/26/01/563682601.db2.gz CBFNTGKMDQUFCV-SFHVURJKSA-N 1 0 394.313 2.695 20 0 GFADRO O=c1[nH]ccc(Cc2nc(CC34CCC[NH+]3CCC4)no2)c1Br ZINC000351243433 563684299 /nfs/dbraw/zinc/68/42/99/563684299.db2.gz MOIUAKJJUBCLCR-UHFFFAOYSA-N 1 0 379.258 2.694 20 0 GFADRO COCc1nc2n(n1)C[C@H]([NH2+][C@H](C)Cc1ccc(F)cc1Br)CC2 ZINC000289743234 563685162 /nfs/dbraw/zinc/68/51/62/563685162.db2.gz NJNAHZJGXLUKHH-BXUZGUMPSA-N 1 0 397.292 2.862 20 0 GFADRO NS(=O)(=O)c1ccc2c(c1)[C@@H]([NH2+]C[C@H](O)c1ccc(Cl)cc1)CCC2 ZINC000289757780 563686031 /nfs/dbraw/zinc/68/60/31/563686031.db2.gz MWCCYXMTVUMMRX-ROUUACIJSA-N 1 0 380.897 2.688 20 0 GFADRO C[C@@H](NC(=O)C(=O)N(C)Cc1cc(Cl)cc(Cl)c1)C1=CC[N@H+](C)CC1 ZINC000289882555 563689921 /nfs/dbraw/zinc/68/99/21/563689921.db2.gz WEZWZSQBEMFIBD-GFCCVEGCSA-N 1 0 384.307 2.718 20 0 GFADRO Cc1ccc(Br)c(CNC(=O)NC[C@@]2([NH+](C)C)CCSC2)c1 ZINC000413344035 563690171 /nfs/dbraw/zinc/69/01/71/563690171.db2.gz CCZUDPWDDCFNJS-INIZCTEOSA-N 1 0 386.359 2.994 20 0 GFADRO Cc1nc([C@H]2CCC[N@H+](C[C@@H](O)COc3cccc(Br)c3)C2)no1 ZINC000360036872 563690997 /nfs/dbraw/zinc/69/09/97/563690997.db2.gz AQYIWDBWQWXVQC-DZGCQCFKSA-N 1 0 396.285 2.760 20 0 GFADRO C[N@@H+]1CCC[C@@H](N2CCN(CC(=O)Nc3ccc(Cl)cc3Cl)CC2)C1 ZINC000361431848 563699080 /nfs/dbraw/zinc/69/90/80/563699080.db2.gz XMCFITVSXKBYEC-OAHLLOKOSA-N 1 0 385.339 2.644 20 0 GFADRO Cc1ccc(-n2nc(Br)cc2C(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000290134124 563699248 /nfs/dbraw/zinc/69/92/48/563699248.db2.gz MAJNIVLLFTWWOS-UONOGXRCSA-N 1 0 389.297 2.625 20 0 GFADRO CCOC(=O)C[C@@H](NC(=O)[C@H](CC)[NH+](C)C)c1cccc(Br)c1 ZINC000413716217 563702927 /nfs/dbraw/zinc/70/29/27/563702927.db2.gz OGXURRXHAOMXHJ-CABCVRRESA-N 1 0 385.302 2.900 20 0 GFADRO Cc1ccc(Br)c(C(=O)N2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)c1 ZINC000362065755 563703630 /nfs/dbraw/zinc/70/36/30/563703630.db2.gz LGTFYPFHDXGIPM-YJBOKZPZSA-N 1 0 394.357 2.856 20 0 GFADRO C[N@H+](CCCOc1cccc(I)c1)CC1(CO)CC1 ZINC000438338779 563704150 /nfs/dbraw/zinc/70/41/50/563704150.db2.gz QPYZNFZQEUGADX-UHFFFAOYSA-N 1 0 375.250 2.764 20 0 GFADRO CSCc1cccc(C[NH2+]Cc2cnn([C@@]3(C)CCS(=O)(=O)C3)c2)c1 ZINC000438364271 563705012 /nfs/dbraw/zinc/70/50/12/563705012.db2.gz JMFZFNXTKWCZLE-SFHVURJKSA-N 1 0 379.551 2.570 20 0 GFADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)C[C@@H]3Sc4ccc(Cl)cc4NC3=O)C[C@H]21 ZINC000362283752 563705141 /nfs/dbraw/zinc/70/51/41/563705141.db2.gz LVWICSMMPZTVSU-XFJVYGCCSA-N 1 0 379.913 2.696 20 0 GFADRO COc1cc(CN2CCCOCC2)cc(I)c1OC ZINC000362367952 563706153 /nfs/dbraw/zinc/70/61/53/563706153.db2.gz FQTLYQDDIOKPKF-UHFFFAOYSA-N 1 0 377.222 2.531 20 0 GFADRO CC[C@@H](C(=O)N(CCn1ccnc1)Cc1ccc(Br)o1)[NH+](C)C ZINC000413808450 563706514 /nfs/dbraw/zinc/70/65/14/563706514.db2.gz ROXGFAMOBJBXJF-AWEZNQCLSA-N 1 0 383.290 2.608 20 0 GFADRO O=C(N[C@H](CO)C[NH+]1CCCCC1)c1cc2c(cccc2Br)[nH]1 ZINC000413824602 563706676 /nfs/dbraw/zinc/70/66/76/563706676.db2.gz WRCVQGNURCGDIP-LBPRGKRZSA-N 1 0 380.286 2.507 20 0 GFADRO NC(=O)[C@H]([NH2+][C@H]1CCCN(c2ccccn2)C1)c1cccc(Br)c1 ZINC000362432093 563706921 /nfs/dbraw/zinc/70/69/21/563706921.db2.gz WHZTZELOJSAPID-DOTOQJQBSA-N 1 0 389.297 2.629 20 0 GFADRO C[N@@H+]1CC[C@H]2CCN(C(=O)c3ccc(I)c(F)c3)C[C@H]21 ZINC000362474369 563707611 /nfs/dbraw/zinc/70/76/11/563707611.db2.gz RZBPQKQOQBWVEM-IINYFYTJSA-N 1 0 388.224 2.597 20 0 GFADRO COC(=O)[C@@H]1CN(C(=O)Cc2csc3ccc(Cl)cc23)CC[N@H+](C)C1 ZINC000413898234 563710025 /nfs/dbraw/zinc/71/00/25/563710025.db2.gz IIUIFMPJDFTENT-ZDUSSCGKSA-N 1 0 380.897 2.660 20 0 GFADRO O=C(/C=C/c1ccc(I)o1)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000363008101 563711970 /nfs/dbraw/zinc/71/19/70/563711970.db2.gz TZYRIIWQQAPMFL-JZYUNNQISA-N 1 0 386.233 2.640 20 0 GFADRO CCN1CCC([N@H+](C)C[C@H](O)COc2cc(F)cc(Br)c2)CC1 ZINC000438850026 563712700 /nfs/dbraw/zinc/71/27/00/563712700.db2.gz UATMMORTMGPSPW-INIZCTEOSA-N 1 0 389.309 2.744 20 0 GFADRO COCc1c(Br)cccc1NC(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000363070779 563713556 /nfs/dbraw/zinc/71/35/56/563713556.db2.gz XQBFOULAOVBCDV-QWHCGFSZSA-N 1 0 398.301 2.580 20 0 GFADRO CCO[C@@H](CC[NH+](C)C)CNC(=O)c1cc(Cl)ncc1Br ZINC000290549419 563713654 /nfs/dbraw/zinc/71/36/54/563713654.db2.gz XRAMTNOXBUICOS-JTQLQIEISA-N 1 0 378.698 2.584 20 0 GFADRO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+][C@@H](Cc1ccccc1)CN(C)C ZINC000414068453 563717316 /nfs/dbraw/zinc/71/73/16/563717316.db2.gz JSQOSGRKVBWPKQ-YJBOKZPZSA-N 1 0 392.341 2.762 20 0 GFADRO C[C@H](COCC(F)(F)F)NC(=O)NC1CC[NH+](Cc2ccsc2)CC1 ZINC000363220508 563717345 /nfs/dbraw/zinc/71/73/45/563717345.db2.gz DJJHYLDQJSCCAP-GFCCVEGCSA-N 1 0 379.448 2.979 20 0 GFADRO Cc1ccn2cc(C[NH2+][C@H](C)Cn3cc(Br)ccc3=O)nc2c1 ZINC000414066153 563717368 /nfs/dbraw/zinc/71/73/68/563717368.db2.gz GSXISUZOWBAOGC-CYBMUJFWSA-N 1 0 375.270 2.745 20 0 GFADRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)N2CCC(n3cc(Br)cn3)CC2)C1 ZINC000363311075 563718833 /nfs/dbraw/zinc/71/88/33/563718833.db2.gz QKNXEOHLEGDETB-HOCLYGCPSA-N 1 0 398.349 2.865 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2C(=O)Cc1ccc(Br)s1 ZINC000363332166 563719473 /nfs/dbraw/zinc/71/94/73/563719473.db2.gz VCLJRLXCJQKIMH-MRVWCRGKSA-N 1 0 387.343 2.763 20 0 GFADRO CC[C@H]1C[N@H+](C)CCCN1S(=O)(=O)c1cc(Br)c(F)cc1F ZINC000439210458 563720118 /nfs/dbraw/zinc/72/01/18/563720118.db2.gz BCOAOHPCEADWFY-JTQLQIEISA-N 1 0 397.285 2.832 20 0 GFADRO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+][C@@H](C)c1ccc(NC(N)=O)cc1 ZINC000414127420 563720373 /nfs/dbraw/zinc/72/03/73/563720373.db2.gz SGIUIDZMGFPMBB-RYUDHWBXSA-N 1 0 393.285 2.841 20 0 GFADRO O[C@H](COCc1ccccc1)C[NH+]1CCC(n2cc(Br)cn2)CC1 ZINC000363397419 563721117 /nfs/dbraw/zinc/72/11/17/563721117.db2.gz OMJLIGTUROVEIK-SFHVURJKSA-N 1 0 394.313 2.860 20 0 GFADRO COc1cccc2c1C[C@@H]([NH2+][C@H](C)Cn1cc(Br)ccc1=O)C2 ZINC000414183237 563721817 /nfs/dbraw/zinc/72/18/17/563721817.db2.gz NDEOWVQSFDMDHG-DOMZBBRYSA-N 1 0 377.282 2.765 20 0 GFADRO C[C@@H]1CC[N@H+](C)CCN1C(=O)C(=O)Nc1ccc(Cl)cc1Br ZINC000439359491 563723150 /nfs/dbraw/zinc/72/31/50/563723150.db2.gz OTYFFCGPQZDYBJ-SNVBAGLBSA-N 1 0 388.693 2.594 20 0 GFADRO Cc1cccc(OCC[NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)c1 ZINC000414244970 563723223 /nfs/dbraw/zinc/72/32/23/563723223.db2.gz BFVIBBZXCCGVDU-UHFFFAOYSA-N 1 0 399.310 2.574 20 0 GFADRO COC(=O)c1cccc(NC(=O)NC2(C[NH+](C)C)CCC2)c1Br ZINC000439404833 563723646 /nfs/dbraw/zinc/72/36/46/563723646.db2.gz RKGFRZMYYKVQNN-UHFFFAOYSA-N 1 0 384.274 2.842 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+]C[C@H]2CCN(c3ccccc3)C2)cc1Cl ZINC000414265587 563724087 /nfs/dbraw/zinc/72/40/87/563724087.db2.gz HBIAQPCVFGSBNB-OAHLLOKOSA-N 1 0 379.913 2.604 20 0 GFADRO CCN(CC)[C@H](C[NH2+]Cc1ccc(S(N)(=O)=O)c(Cl)c1)c1ccco1 ZINC000414293512 563725305 /nfs/dbraw/zinc/72/53/05/563725305.db2.gz CWNAQTDNVQAGAC-OAHLLOKOSA-N 1 0 385.917 2.753 20 0 GFADRO Brc1cccc(-c2c[nH]c(CNC[C@H]3C[N@@H+]4CCC[C@@H]4CO3)n2)c1 ZINC000363525283 563725467 /nfs/dbraw/zinc/72/54/67/563725467.db2.gz MQDJSGVJYZMVTB-CVEARBPZSA-N 1 0 391.313 2.792 20 0 GFADRO O[C@H](COc1cc(F)cc(Br)c1)C[N@@H+]1CCOCC12CCCC2 ZINC000439443458 563725499 /nfs/dbraw/zinc/72/54/99/563725499.db2.gz APKXDEZTZGQBHC-HNNXBMFYSA-N 1 0 388.277 2.973 20 0 GFADRO O[C@@H](COc1cc(F)cc(Br)c1)C[N@@H+]1CCOCC12CCCC2 ZINC000439443459 563725832 /nfs/dbraw/zinc/72/58/32/563725832.db2.gz APKXDEZTZGQBHC-OAHLLOKOSA-N 1 0 388.277 2.973 20 0 GFADRO OCC[N@H+](C[C@@H](O)COc1cc(F)cc(Br)c1)C1CCCCC1 ZINC000439461505 563726801 /nfs/dbraw/zinc/72/68/01/563726801.db2.gz LHNPDHPVEBUHFO-MRXNPFEDSA-N 1 0 390.293 2.955 20 0 GFADRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNCc2ccc(S(N)(=O)=O)c(Cl)c2)C1 ZINC000414329095 563726942 /nfs/dbraw/zinc/72/69/42/563726942.db2.gz ZIVFKCKPNXQWCT-OKILXGFUSA-N 1 0 387.977 2.834 20 0 GFADRO C[C@H](CC[S@@](C)=O)[NH2+]Cc1c(Br)cncc1Br ZINC000290952464 563727154 /nfs/dbraw/zinc/72/71/54/563727154.db2.gz VIVQUQVNCJALMI-CQLKUDPESA-N 1 0 384.137 2.853 20 0 GFADRO CC(=O)NCCC[NH+]1CCC(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000363599201 563727708 /nfs/dbraw/zinc/72/77/08/563727708.db2.gz BHRIUMYKJUMEFT-UHFFFAOYSA-N 1 0 382.302 2.626 20 0 GFADRO O=C(CC[N@@H+]1CCS[C@H](c2ccccc2)C1)NC(=O)NCC(F)(F)F ZINC000363609706 563727777 /nfs/dbraw/zinc/72/77/77/563727777.db2.gz YXNBTLQSLQHNCU-ZDUSSCGKSA-N 1 0 375.416 2.555 20 0 GFADRO CCc1ncc(C[NH2+]CCCNC(=O)c2ccc(Br)cc2)cn1 ZINC000414349402 563728478 /nfs/dbraw/zinc/72/84/78/563728478.db2.gz SUQWUZVBTBIYEH-UHFFFAOYSA-N 1 0 377.286 2.711 20 0 GFADRO NC(=O)c1cn(CCCC[NH2+][C@@H]2CCCc3ccc(Br)cc32)nn1 ZINC000414349463 563728510 /nfs/dbraw/zinc/72/85/10/563728510.db2.gz JZVPIXNIVPBBTD-OAHLLOKOSA-N 1 0 392.301 2.587 20 0 GFADRO COc1ccccc1O[C@H](C)C[NH2+]Cc1ccc(S(N)(=O)=O)c(Cl)c1 ZINC000414358351 563729018 /nfs/dbraw/zinc/72/90/18/563729018.db2.gz LKKRYKHQRDLETG-GFCCVEGCSA-N 1 0 384.885 2.553 20 0 GFADRO CS(=O)(=O)c1ccc(C[NH2+]C[C@@H](CO)Cc2c(F)cccc2Cl)s1 ZINC000414360508 563729474 /nfs/dbraw/zinc/72/94/74/563729474.db2.gz QRFVYWICTVFTIU-NSHDSACASA-N 1 0 391.917 2.885 20 0 GFADRO COC(=O)c1c(Cl)cccc1S(=O)(=O)NCCC[NH+]1CCC(C)CC1 ZINC000414365941 563729812 /nfs/dbraw/zinc/72/98/12/563729812.db2.gz AKDSNKDGAGSJOH-UHFFFAOYSA-N 1 0 388.917 2.527 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+]Cc2ccnc(OC3CCC3)c2)cc1Cl ZINC000414365480 563729898 /nfs/dbraw/zinc/72/98/98/563729898.db2.gz LUNQOLGBSIBDAQ-UHFFFAOYSA-N 1 0 381.885 2.604 20 0 GFADRO NC(=O)[C@H](N[C@H]1CC[N@H+](CC2CCCC2)C1)c1ccc(Br)cc1 ZINC000439647857 563729888 /nfs/dbraw/zinc/72/98/88/563729888.db2.gz MKLVYZVJMLDEIU-DLBZAZTESA-N 1 0 380.330 2.830 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)NCc2ccc(S(C)(=O)=O)c(Cl)c2)C1 ZINC000291036198 563729808 /nfs/dbraw/zinc/72/98/08/563729808.db2.gz KOGFKSUQQCDXSY-QGZVFWFLSA-N 1 0 390.908 2.572 20 0 GFADRO COc1cc(OC)c(S(=O)(=O)NCCC[NH+]2CCC(C)CC2)cc1Cl ZINC000414367507 563729927 /nfs/dbraw/zinc/72/99/27/563729927.db2.gz FGZKBAIYFRYYBE-UHFFFAOYSA-N 1 0 390.933 2.758 20 0 GFADRO Cn1cc(C[C@@H]2CC[N@H+](C[C@@H](O)c3ccc(F)c(Br)c3)C2)cn1 ZINC000363702033 563730728 /nfs/dbraw/zinc/73/07/28/563730728.db2.gz AZWKZUOAKYRDSZ-YVEFUNNKSA-N 1 0 382.277 2.920 20 0 GFADRO O=C(Cc1cc(Br)ccc1F)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000363707326 563731108 /nfs/dbraw/zinc/73/11/08/563731108.db2.gz GKBLXZOVJAEJOE-HNNXBMFYSA-N 1 0 385.277 2.500 20 0 GFADRO CS(=O)(=O)Nc1ccc(C[NH2+]C2CCN(CCC(F)(F)F)CC2)cc1 ZINC000291103293 563731674 /nfs/dbraw/zinc/73/16/74/563731674.db2.gz JNRXPBOYTVLWSW-UHFFFAOYSA-N 1 0 379.448 2.565 20 0 GFADRO CC[C@@H](C)[N@H+](C)CC(=O)N1CCN(Cc2ccc(Br)s2)CC1 ZINC000439951104 563733263 /nfs/dbraw/zinc/73/32/63/563733263.db2.gz QGRVMIJSNFCARQ-CYBMUJFWSA-N 1 0 388.375 2.885 20 0 GFADRO CC(C)[N@@H+]1CCc2nc(CN3CCN(CC(F)(F)F)[C@@H](C)C3)sc2C1 ZINC000363865985 563735207 /nfs/dbraw/zinc/73/52/07/563735207.db2.gz VJVQOTCYVFDWBD-ZDUSSCGKSA-N 1 0 376.492 2.978 20 0 GFADRO CC(C)(C[NH3+])NS(=O)(=O)c1csc(-c2cccc(Br)c2)n1 ZINC000440342942 563739337 /nfs/dbraw/zinc/73/93/37/563739337.db2.gz OISNVKPYYUCBCQ-UHFFFAOYSA-N 1 0 390.328 2.588 20 0 GFADRO CN(C(=O)NC[C@H]1CSCCS1)C1CC[NH+](Cc2ccncc2)CC1 ZINC000364021339 563740893 /nfs/dbraw/zinc/74/08/93/563740893.db2.gz KJVIMAIMRLZWFL-KRWDZBQOSA-N 1 0 380.583 2.536 20 0 GFADRO CCCN(C1CC[NH2+]CC1)S(=O)(=O)c1ccc(OCC(F)(F)F)cc1 ZINC000440421113 563741332 /nfs/dbraw/zinc/74/13/32/563741332.db2.gz JHVVAMFOLBTPJD-UHFFFAOYSA-N 1 0 380.432 2.780 20 0 GFADRO [NH3+]C[C@H]1CCCC[C@H]1NS(=O)(=O)c1cc(Br)sc1Cl ZINC000440404737 563741545 /nfs/dbraw/zinc/74/15/45/563741545.db2.gz ITZNLJHQHFEXJC-HTQZYQBOSA-N 1 0 387.752 2.960 20 0 GFADRO C[NH+](C)[C@H]1CCC[C@@H]1NS(=O)(=O)c1cc(Cl)ccc1Br ZINC000414464876 563741994 /nfs/dbraw/zinc/74/19/94/563741994.db2.gz PBSKGVMBEZMGCO-RYUDHWBXSA-N 1 0 381.723 2.864 20 0 GFADRO CSc1cccc(S(=O)(=O)N2CC[C@@H](OCC[NH+]3CCCCC3)C2)c1 ZINC000414467974 563742823 /nfs/dbraw/zinc/74/28/23/563742823.db2.gz XBOCAJFAPQBWAB-MRXNPFEDSA-N 1 0 384.567 2.674 20 0 GFADRO CCOc1cc(C[NH2+]C[C@@H]2CNC(=O)C2)cc(Br)c1OC(F)F ZINC000414491487 563744493 /nfs/dbraw/zinc/74/44/93/563744493.db2.gz ZDVYNOGCTUWFEC-SNVBAGLBSA-N 1 0 393.228 2.675 20 0 GFADRO COC[C@](C)(CC(=O)OC)[NH2+]CC(=O)N(C)Cc1cc(Cl)cc(Cl)c1 ZINC000440550007 563744521 /nfs/dbraw/zinc/74/45/21/563744521.db2.gz JCGCDQAWZRIARV-KRWDZBQOSA-N 1 0 391.295 2.510 20 0 GFADRO C[C@]1(C[NH2+][C@@H](C(N)=O)c2ccc(Br)cc2F)CCO[C@H]1C1CC1 ZINC000364136993 563744598 /nfs/dbraw/zinc/74/45/98/563744598.db2.gz DNVCKUYEAQFRJE-HLLBOEOZSA-N 1 0 385.277 2.909 20 0 GFADRO Cc1cc(Br)c(F)cc1NC(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000364195391 563745623 /nfs/dbraw/zinc/74/56/23/563745623.db2.gz AUJMEOMPWWOIID-NWDGAFQWSA-N 1 0 398.276 2.578 20 0 GFADRO [NH3+][C@@H]1CCC[C@]12CCN(C(=O)c1ccc(I)c(F)c1)C2 ZINC000364199211 563746113 /nfs/dbraw/zinc/74/61/13/563746113.db2.gz AFHPNGGQLXSVCT-UKRRQHHQSA-N 1 0 388.224 2.774 20 0 GFADRO COC(=O)c1ccc(C[NH2+][C@@H]2CCCC(F)(F)[C@H]2O)c(Br)c1 ZINC000414528081 563746298 /nfs/dbraw/zinc/74/62/98/563746298.db2.gz ACMZDLFNORXKJW-OLZOCXBDSA-N 1 0 378.213 2.874 20 0 GFADRO COc1ccc(CNC(=O)[C@]2([NH3+])[C@H]3CCCO[C@H]3C2(C)C)cc1Br ZINC000364219688 563746762 /nfs/dbraw/zinc/74/67/62/563746762.db2.gz WRODTOVPXXJJHQ-WBHUJUFNSA-N 1 0 397.313 2.606 20 0 GFADRO [NH3+][C@@H]1CCC[C@]12CCN(C(=O)c1cc(Br)c3c(c1)OCCO3)C2 ZINC000364258586 563747537 /nfs/dbraw/zinc/74/75/37/563747537.db2.gz OIBSJLVYUMIMFD-RHSMWYFYSA-N 1 0 381.270 2.564 20 0 GFADRO COC(=O)[C@H](NC(=O)CC1CC[NH+](C)CC1)c1ccc(Br)cc1 ZINC000291571786 563747970 /nfs/dbraw/zinc/74/79/70/563747970.db2.gz SXUBDGNTKHDDFR-MRXNPFEDSA-N 1 0 383.286 2.511 20 0 GFADRO [NH3+][C@@H]1CCC[C@@]12CCN(C(=O)Cc1cccc(I)c1)C2 ZINC000364273654 563748261 /nfs/dbraw/zinc/74/82/61/563748261.db2.gz WRDQJKILTXMIRD-ZBFHGGJFSA-N 1 0 384.261 2.564 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CCCN(S(=O)(=O)c2cc(Cl)ccc2Br)C1 ZINC000440738339 563748750 /nfs/dbraw/zinc/74/87/50/563748750.db2.gz USBJYHNZFQFOOQ-ZJUUUORDSA-N 1 0 381.723 2.850 20 0 GFADRO C[C@H](NS(=O)(=O)c1ccc(Cl)cc1Br)[C@H]1CCC[NH2+]C1 ZINC000440731996 563748826 /nfs/dbraw/zinc/74/88/26/563748826.db2.gz HATZRORVEKKXFH-UWVGGRQHSA-N 1 0 381.723 2.769 20 0 GFADRO CC(C)[C@H]([NH3+])CNS(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCCCO1 ZINC000440735682 563748978 /nfs/dbraw/zinc/74/89/78/563748978.db2.gz OQSHNZXWRFASJE-LSDHHAIUSA-N 1 0 390.933 2.550 20 0 GFADRO O=C(Nc1cc(Cl)ccc1Cl)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000414657205 563749057 /nfs/dbraw/zinc/74/90/57/563749057.db2.gz GYWQWESJIYZFCU-CJNGLKHVSA-N 1 0 385.295 2.762 20 0 GFADRO C[C@H]1CCCN(S(=O)(=O)c2cc(Cl)ccc2Br)[C@H]1C[NH3+] ZINC000440757341 563749585 /nfs/dbraw/zinc/74/95/85/563749585.db2.gz STCSDMBNJLMPDN-CABZTGNLSA-N 1 0 381.723 2.850 20 0 GFADRO CCCN([C@H]1CC[NH2+]C1)S(=O)(=O)c1cc(Cl)ccc1OCCCOC ZINC000440753217 563749707 /nfs/dbraw/zinc/74/97/07/563749707.db2.gz YPIMYGVNAUCSRI-HNNXBMFYSA-N 1 0 390.933 2.518 20 0 GFADRO CC[NH2+]Cc1ccccc1NC(=O)C(=O)N(C)Cc1ccc(Br)o1 ZINC000414726373 563750724 /nfs/dbraw/zinc/75/07/24/563750724.db2.gz KYAOPRWFROJUNP-UHFFFAOYSA-N 1 0 394.269 2.749 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H](CNC(=O)Nc2nnc(SCc3ccccc3)s2)C1 ZINC000414706302 563750820 /nfs/dbraw/zinc/75/08/20/563750820.db2.gz LOOLQBYFNHHDAB-ZIAGYGMSSA-N 1 0 377.539 3.469 20 0 GFADRO O=C(Nc1ncc(Cc2ccc(Br)cc2)s1)N1CC[NH2+]CC1 ZINC000414730884 563750920 /nfs/dbraw/zinc/75/09/20/563750920.db2.gz HGDMTWKVFCBGHV-UHFFFAOYSA-N 1 0 381.299 2.934 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)Nc2nnc(SCc3ccccc3)s2)C1 ZINC000414713786 563751040 /nfs/dbraw/zinc/75/10/40/563751040.db2.gz UIWBXJWDARTHLP-TZMCWYRMSA-N 1 0 377.539 3.422 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)Nc1nnc(SCc2ccccc2)s1 ZINC000414698291 563751089 /nfs/dbraw/zinc/75/10/89/563751089.db2.gz CWCNZCNKACIMHN-OCCSQVGLSA-N 1 0 377.539 3.564 20 0 GFADRO C[NH2+]CCC1CCN(S(=O)(=O)c2cc(C)cc(Br)c2)CC1 ZINC000440844465 563751795 /nfs/dbraw/zinc/75/17/95/563751795.db2.gz PCKZQNHTCIQXDE-UHFFFAOYSA-N 1 0 375.332 2.768 20 0 GFADRO Cc1cc(Br)cc(C)c1S(=O)(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000440845515 563751891 /nfs/dbraw/zinc/75/18/91/563751891.db2.gz LLSNANXTRAIIJK-UHFFFAOYSA-N 1 0 387.343 2.830 20 0 GFADRO CN(Cc1csc(Br)c1)C(=O)C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000414737997 563751931 /nfs/dbraw/zinc/75/19/31/563751931.db2.gz AUDNEYQBXVWFDF-UHFFFAOYSA-N 1 0 394.294 2.711 20 0 GFADRO CC(C)C[C@H]([NH3+])CN1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000414746137 563752037 /nfs/dbraw/zinc/75/20/37/563752037.db2.gz LSLHVFVNLNXVKU-ZFWWWQNUSA-N 1 0 383.334 2.868 20 0 GFADRO C[C@@]1(CNS(=O)(=O)c2ccc(Cl)cc2Br)CCC[NH2+]C1 ZINC000440859868 563752389 /nfs/dbraw/zinc/75/23/89/563752389.db2.gz NYDOXFMJFPOVFI-CYBMUJFWSA-N 1 0 381.723 2.771 20 0 GFADRO COc1ccc(Br)c(CNC(=O)N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c1 ZINC000440913379 563753305 /nfs/dbraw/zinc/75/33/05/563753305.db2.gz XZQGDVWLVAMHTJ-YPMHNXCESA-N 1 0 382.302 2.882 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)N1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000414905844 563754509 /nfs/dbraw/zinc/75/45/09/563754509.db2.gz PAOFMMCJLIPACR-ZDUSSCGKSA-N 1 0 382.302 2.977 20 0 GFADRO CCC(CC)(C[NH3+])NC(=O)Nc1cc(Br)ccc1N1CCOCC1 ZINC000414928550 563754613 /nfs/dbraw/zinc/75/46/13/563754613.db2.gz NKQUOFLGKUFPAB-UHFFFAOYSA-N 1 0 399.333 2.925 20 0 GFADRO C[C@H](CC(=O)Nc1cccc(Br)c1)N[C@H]1C[NH2+]CCC1(F)F ZINC000415008862 563756854 /nfs/dbraw/zinc/75/68/54/563756854.db2.gz WQLBTHFFCJOTPK-MFKMUULPSA-N 1 0 376.245 2.753 20 0 GFADRO O=C(CC[C@@H]1CCC[NH2+]1)NCc1nnc2c(Cl)cc(C(F)(F)F)cn12 ZINC000291752279 563757049 /nfs/dbraw/zinc/75/70/49/563757049.db2.gz KHTJYMBAKZULGS-JTQLQIEISA-N 1 0 375.782 2.550 20 0 GFADRO [NH3+]CC[C@@H](NCc1c(F)ccc(I)c1F)C(F)(F)F ZINC000415054336 563757925 /nfs/dbraw/zinc/75/79/25/563757925.db2.gz LNVKCVWTOXCIFZ-SECBINFHSA-N 1 0 394.125 2.939 20 0 GFADRO COc1ccc(I)c(NC(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000415078846 563758451 /nfs/dbraw/zinc/75/84/51/563758451.db2.gz WEWNCBBHYMRKAE-NXEZZACHSA-N 1 0 389.237 2.691 20 0 GFADRO [NH3+][C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1(c2ccc(Br)cc2)CCOCC1 ZINC000364606165 563758605 /nfs/dbraw/zinc/75/86/05/563758605.db2.gz XLNROMSOGUTZSR-BJWYYQGGSA-N 1 0 393.325 2.978 20 0 GFADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)Nc1c(F)cc(F)cc1Br ZINC000364609170 563759138 /nfs/dbraw/zinc/75/91/38/563759138.db2.gz PYLKQSYRYISKCZ-MNOVXSKESA-N 1 0 390.228 2.712 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCN(C(=O)Nc2cc(F)c(I)c(F)c2)C1 ZINC000415113739 563759593 /nfs/dbraw/zinc/75/95/93/563759593.db2.gz FIRSPQNMMIVJJH-YUMQZZPRSA-N 1 0 395.191 2.770 20 0 GFADRO Cc1cc(Br)cc(CN2CCC(O)(C[NH3+])CC2)c1OC(F)F ZINC000415137593 563760437 /nfs/dbraw/zinc/76/04/37/563760437.db2.gz FVNOLNAIQKGXGB-UHFFFAOYSA-N 1 0 379.245 2.645 20 0 GFADRO Cc1cc(Br)cn2c(C[N@H+]3CC[C@]4(C3)CCCN(C)C4=O)cnc12 ZINC000364664833 563760989 /nfs/dbraw/zinc/76/09/89/563760989.db2.gz WBWVNNUGGUYPBQ-SFHVURJKSA-N 1 0 391.313 2.850 20 0 GFADRO [NH3+]C[C@@H]1CC[C@H](NC(=O)Nc2cc(Br)ccc2-n2cccn2)C1 ZINC000415163728 563761151 /nfs/dbraw/zinc/76/11/51/563761151.db2.gz OUPUGFLCMANYBL-YPMHNXCESA-N 1 0 378.274 2.884 20 0 GFADRO C[C@]1(C[NH3+])CCN(C(=O)Nc2cc(Br)ccc2-n2cccn2)C1 ZINC000415163816 563761339 /nfs/dbraw/zinc/76/13/39/563761339.db2.gz OXQSQJVEWWQMGO-MRXNPFEDSA-N 1 0 378.274 2.837 20 0 GFADRO CC(C)N(C)C(=O)c1ccc(Cl)c(NC(=O)N[C@@H](CC[NH3+])C(F)F)c1 ZINC000415142979 563761400 /nfs/dbraw/zinc/76/14/00/563761400.db2.gz BGCWDYLIDBFZCB-LBPRGKRZSA-N 1 0 376.835 2.924 20 0 GFADRO [NH3+][C@@H]1CCCN(C(=O)Nc2cc(Br)cnc2OCC(F)(F)F)C1 ZINC000415178286 563761805 /nfs/dbraw/zinc/76/18/05/563761805.db2.gz RZJPMMGQWKAQBV-SECBINFHSA-N 1 0 397.195 2.740 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)Nc2cc(Br)cc(C(F)(F)F)c2)CCO1 ZINC000415207939 563762535 /nfs/dbraw/zinc/76/25/35/563762535.db2.gz FXEZINOEQWOJCQ-LLVKDONJSA-N 1 0 382.180 2.659 20 0 GFADRO CS(=O)(=O)Nc1ccc(NC(=O)N[C@H](C[NH3+])C2CCCCC2)cc1Cl ZINC000415199388 563762539 /nfs/dbraw/zinc/76/25/39/563762539.db2.gz HJTRVWMCDQABHF-OAHLLOKOSA-N 1 0 388.921 2.741 20 0 GFADRO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2nc(C3CC3)ncc2Br)C1 ZINC000291877998 563762764 /nfs/dbraw/zinc/76/27/64/563762764.db2.gz XFTSPJYTQRVJDD-GFCCVEGCSA-N 1 0 381.318 2.920 20 0 GFADRO C[C@H](C[NH3+])NC(=O)Nc1ccc(I)cc1Br ZINC000415249717 563763761 /nfs/dbraw/zinc/76/37/61/563763761.db2.gz KCCZCZOMORUZPI-ZCFIWIBFSA-N 1 0 398.042 2.522 20 0 GFADRO O=C(Nc1ccccc1I)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000364792695 563763887 /nfs/dbraw/zinc/76/38/87/563763887.db2.gz OESBEHDTDXEIPM-GFCCVEGCSA-N 1 0 385.249 2.993 20 0 GFADRO Cc1nc2n(c1CN1CCN(C(=O)c3nc(Cl)cs3)CC1)CCCC2 ZINC000364796261 563764093 /nfs/dbraw/zinc/76/40/93/563764093.db2.gz QOJWQBNSPHOJEQ-UHFFFAOYSA-N 1 0 379.917 2.596 20 0 GFADRO O=C(Nc1cc(I)ccc1Cl)N1CCC[NH2+]CC1 ZINC000415272463 563764794 /nfs/dbraw/zinc/76/47/94/563764794.db2.gz SVCXNELJSRIIIW-UHFFFAOYSA-N 1 0 379.629 2.772 20 0 GFADRO [NH3+]C1(CNC(=O)C(=O)Nc2ccc(Cl)cc2Br)CCCCC1 ZINC000415277559 563764806 /nfs/dbraw/zinc/76/48/06/563764806.db2.gz GGIFFHSLFJWJTO-UHFFFAOYSA-N 1 0 388.693 2.819 20 0 GFADRO [NH3+]C1(CNC(=O)C(=O)Nc2ccc(Cl)c(Br)c2)CCCCC1 ZINC000415289848 563765707 /nfs/dbraw/zinc/76/57/07/563765707.db2.gz DVYNLBQRJUIZKV-UHFFFAOYSA-N 1 0 388.693 2.819 20 0 GFADRO O=C(NCCCN1CC[NH2+]CC1)Nc1ccc(Cl)cc1Br ZINC000415295720 563766002 /nfs/dbraw/zinc/76/60/02/563766002.db2.gz QYCOEPPVEPABPJ-UHFFFAOYSA-N 1 0 375.698 2.519 20 0 GFADRO Cc1c(Br)ccc(NC(=O)C(=O)NCC2([NH3+])CCCCC2)c1F ZINC000415299235 563766036 /nfs/dbraw/zinc/76/60/36/563766036.db2.gz YSVNBGNMURCETN-UHFFFAOYSA-N 1 0 386.265 2.613 20 0 GFADRO COC(=O)c1ccc(S(=O)(=O)NCC[NH+]2[C@H](C)CCC[C@H]2C)cc1Cl ZINC000441952835 563766392 /nfs/dbraw/zinc/76/63/92/563766392.db2.gz GUMLVSAWOXJMMN-CHWSQXEVSA-N 1 0 388.917 2.668 20 0 GFADRO O=C(Nc1cc(Cl)ccc1SCC(F)(F)F)C(=O)N1CCC[NH2+]CC1 ZINC000415320466 563766624 /nfs/dbraw/zinc/76/66/24/563766624.db2.gz PWTUEFRNRWSRNK-UHFFFAOYSA-N 1 0 395.834 2.755 20 0 GFADRO CCC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(Br)c(F)c2)CC1 ZINC000441999752 563766783 /nfs/dbraw/zinc/76/67/83/563766783.db2.gz HTEAELYDTXHOAF-UHFFFAOYSA-N 1 0 386.265 2.517 20 0 GFADRO Cc1cc(Br)ccc1C(=O)N1CCC([NH2+]Cc2nccn2C)CC1 ZINC000364904889 563767819 /nfs/dbraw/zinc/76/78/19/563767819.db2.gz JWXHCLMVUCIOKU-UHFFFAOYSA-N 1 0 391.313 2.885 20 0 GFADRO CCOC(=O)c1cc(Br)ccc1NC(=O)NCC[C@H]1CC[NH2+]C1 ZINC000415349782 563768781 /nfs/dbraw/zinc/76/87/81/563768781.db2.gz MEEKUWJWBYQLSU-LLVKDONJSA-N 1 0 384.274 2.747 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N[C@@H](C)[C@@H]2CCC[NH2+]C2)c(Br)c1 ZINC000415346039 563768850 /nfs/dbraw/zinc/76/88/50/563768850.db2.gz BFGGAYBVOYOLFI-QWHCGFSZSA-N 1 0 382.302 2.509 20 0 GFADRO C[C@@H](NC(=O)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[C@@H]1CCC[NH2+]C1 ZINC000415346233 563768977 /nfs/dbraw/zinc/76/89/77/563768977.db2.gz GVGPSZLVESGIIS-NXEZZACHSA-N 1 0 377.794 2.802 20 0 GFADRO Cc1ccc(CCC(=O)N2CCC[N@@H+]([C@H](C)CO)CC2)c(Br)c1 ZINC000364935666 563769446 /nfs/dbraw/zinc/76/94/46/563769446.db2.gz QVCSTOSSXKXTRV-OAHLLOKOSA-N 1 0 383.330 2.605 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000415350259 563769514 /nfs/dbraw/zinc/76/95/14/563769514.db2.gz MOUMLBHWTOBQBC-QWHCGFSZSA-N 1 0 382.302 2.509 20 0 GFADRO C[C@@H](NC(=O)C(=O)Nc1ccc(Br)cc1Cl)[C@H]1CCC[NH2+]C1 ZINC000415353339 563769603 /nfs/dbraw/zinc/76/96/03/563769603.db2.gz LMSACHWULYVEQL-ZJUUUORDSA-N 1 0 388.693 2.545 20 0 GFADRO [NH3+][C@@H]1CCCN(C(=O)[C@@H]2CCCN2c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000364970619 563770582 /nfs/dbraw/zinc/77/05/82/563770582.db2.gz HEBSWURHIHJKFP-YPMHNXCESA-N 1 0 376.810 2.672 20 0 GFADRO O=C(Nc1cccc(F)c1I)N[C@H]1C[NH2+]CCC1(F)F ZINC000415363115 563770630 /nfs/dbraw/zinc/77/06/30/563770630.db2.gz QFROHJSZAQFANO-VIFPVBQESA-N 1 0 399.154 2.549 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCN(C(=O)Nc2cccc(F)c2I)C1 ZINC000415361367 563770790 /nfs/dbraw/zinc/77/07/90/563770790.db2.gz MXZLVTHIOREWKI-IUCAKERBSA-N 1 0 377.201 2.631 20 0 GFADRO C[C@@H]1CN(C(=O)Nc2cccc(F)c2I)CC[C@@H]1[NH3+] ZINC000415359231 563770793 /nfs/dbraw/zinc/77/07/93/563770793.db2.gz KMYSSPZBROQPQN-SCZZXKLOSA-N 1 0 377.201 2.631 20 0 GFADRO C[C@@H]([NH3+])C1CCN(C(=O)C(=O)Nc2ccc(Br)cc2Cl)CC1 ZINC000415381793 563771277 /nfs/dbraw/zinc/77/12/77/563771277.db2.gz JHWPZTLYNDAPMK-SECBINFHSA-N 1 0 388.693 2.627 20 0 GFADRO C[C@H]1CCN(C(=O)Nc2cccc(F)c2I)C[C@@H]1C[NH3+] ZINC000415365241 563771522 /nfs/dbraw/zinc/77/15/22/563771522.db2.gz UDYFXEPBLDJBCJ-UWVGGRQHSA-N 1 0 391.228 2.879 20 0 GFADRO Cc1cnc(Br)c(NC(=O)NCCCC[N@@H+]2CCC[C@H]2CO)c1 ZINC000292059176 563771795 /nfs/dbraw/zinc/77/17/95/563771795.db2.gz NRSKRNUOQXGYEW-ZDUSSCGKSA-N 1 0 385.306 2.511 20 0 GFADRO C[C@@H]([NH3+])C1CCN(C(=O)C(=O)Nc2ccc(Br)c(Cl)c2)CC1 ZINC000415385838 563772099 /nfs/dbraw/zinc/77/20/99/563772099.db2.gz OPJRWFJXJFKEKB-SECBINFHSA-N 1 0 388.693 2.627 20 0 GFADRO O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)Nc1c(F)cc(Cl)cc1F ZINC000415397672 563772571 /nfs/dbraw/zinc/77/25/71/563772571.db2.gz AOMZGWXGXQCXDF-LLVKDONJSA-N 1 0 386.752 2.576 20 0 GFADRO Cc1cc(F)c(NC(=O)N2CC[C@H]([NH3+])[C@@H](C)C2)c(I)c1 ZINC000415395566 563772646 /nfs/dbraw/zinc/77/26/46/563772646.db2.gz SRWZPHAGZBIQDE-CABZTGNLSA-N 1 0 391.228 2.940 20 0 GFADRO Cc1cc(F)c(NC(=O)NCC[C@@H]2CC[NH2+]C2)c(I)c1 ZINC000415395921 563772817 /nfs/dbraw/zinc/77/28/17/563772817.db2.gz SYSHOVMDQMSNHR-JTQLQIEISA-N 1 0 391.228 2.860 20 0 GFADRO COC(=O)c1cc(NC(=O)N2CC[C@@H](C)[C@@H](C[NH3+])C2)ccc1Br ZINC000415402192 563773062 /nfs/dbraw/zinc/77/30/62/563773062.db2.gz IMBJXZLGTDNUSA-MNOVXSKESA-N 1 0 384.274 2.684 20 0 GFADRO C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N1CC[C@@]2(CCC[C@H]2[NH3+])C1 ZINC000365086850 563773072 /nfs/dbraw/zinc/77/30/72/563773072.db2.gz BBJOLVFJVUMPPC-FVMIAERFSA-N 1 0 384.307 2.842 20 0 GFADRO COc1c(Cl)cc(NC(=O)C(=O)N[C@H](C[NH3+])C2CCCCC2)cc1Cl ZINC000415423496 563774189 /nfs/dbraw/zinc/77/41/89/563774189.db2.gz GUDBLINKTSEYJY-CQSZACIVSA-N 1 0 388.295 2.964 20 0 GFADRO COCCOc1ccc(Br)cc1NC(=O)N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000415424182 563774393 /nfs/dbraw/zinc/77/43/93/563774393.db2.gz IDNUVBUJZFRJIR-WCQYABFASA-N 1 0 386.290 2.736 20 0 GFADRO COCCOc1ccc(Br)cc1NC(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000415427525 563774903 /nfs/dbraw/zinc/77/49/03/563774903.db2.gz OTWHAVHJWRGYJX-FZMZJTMJSA-N 1 0 386.290 2.594 20 0 GFADRO COCCOc1ccc(Br)cc1NC(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000415425942 563774990 /nfs/dbraw/zinc/77/49/90/563774990.db2.gz MEEYCNMCKVGCND-STQMWFEESA-N 1 0 386.290 2.866 20 0 GFADRO CC1(C)C[NH2+]CC[C@H]1NC(=O)Nc1ccc(S(C)(=O)=O)c(C(F)F)c1 ZINC000415426929 563775031 /nfs/dbraw/zinc/77/50/31/563775031.db2.gz FEUQCITZPXFFJB-CYBMUJFWSA-N 1 0 375.441 2.537 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)Nc2cccc(Cl)c2Br)C1 ZINC000415437617 563775648 /nfs/dbraw/zinc/77/56/48/563775648.db2.gz KPPTVRITADFPBJ-NXEZZACHSA-N 1 0 388.693 2.627 20 0 GFADRO Cc1sc(Br)c(C(=O)NC[C@@H](O)C[NH+]2CCCCC2)c1C ZINC000442641506 563776483 /nfs/dbraw/zinc/77/64/83/563776483.db2.gz ZARSCRNLAHBURS-GFCCVEGCSA-N 1 0 375.332 2.704 20 0 GFADRO Cc1sc(Br)c(C(=O)NC[C@H](O)C[NH+]2CCCCC2)c1C ZINC000442641507 563776586 /nfs/dbraw/zinc/77/65/86/563776586.db2.gz ZARSCRNLAHBURS-LBPRGKRZSA-N 1 0 375.332 2.704 20 0 GFADRO Cc1cc(F)c(Br)cc1NC(=O)C(=O)N(C)CC[C@H]([NH3+])C(C)C ZINC000415483792 563778336 /nfs/dbraw/zinc/77/83/36/563778336.db2.gz HEYXYEVNTCNDJL-ZDUSSCGKSA-N 1 0 388.281 2.667 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)Nc1cc(Br)cnc1-n1cccn1 ZINC000415490191 563778931 /nfs/dbraw/zinc/77/89/31/563778931.db2.gz VORLVLJGSPNGQX-FZMZJTMJSA-N 1 0 393.289 2.763 20 0 GFADRO CCCC[C@@H](C[NH3+])NC(=O)Nc1cc(Br)cnc1-n1cccn1 ZINC000415486429 563779143 /nfs/dbraw/zinc/77/91/43/563779143.db2.gz QFKIHXJPWXGUOD-LBPRGKRZSA-N 1 0 381.278 2.669 20 0 GFADRO Cc1ccc(I)cc1NC(=O)N[C@@H](CC[NH3+])C(F)F ZINC000415504692 563780344 /nfs/dbraw/zinc/78/03/44/563780344.db2.gz HCETXQWIMJDQMJ-VIFPVBQESA-N 1 0 383.180 2.704 20 0 GFADRO C[NH2+][C@H]1CCN(C(=O)Nc2ccnn2Cc2ccccc2Br)C1 ZINC000415522809 563781361 /nfs/dbraw/zinc/78/13/61/563781361.db2.gz NOZFKHMKLRGXNZ-ZDUSSCGKSA-N 1 0 378.274 2.520 20 0 GFADRO Cn1nc(Br)cc1C(=O)N[C@H]1c2ccccc2CC[C@H]1[NH+](C)C ZINC000365384924 563781768 /nfs/dbraw/zinc/78/17/68/563781768.db2.gz LQTSFILHGUZYIY-CJNGLKHVSA-N 1 0 377.286 2.530 20 0 GFADRO C[C@@H](CC[NH3+])NC(=O)Nc1nc2ccc(I)cc2s1 ZINC000415525805 563781835 /nfs/dbraw/zinc/78/18/35/563781835.db2.gz FJZFXBGTNBGTNS-ZETCQYMHSA-N 1 0 390.250 2.760 20 0 GFADRO Cc1ccc(NC(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)c(Br)c1 ZINC000415524442 563782056 /nfs/dbraw/zinc/78/20/56/563782056.db2.gz SBMZISIDAZFPFD-HNNXBMFYSA-N 1 0 394.313 2.687 20 0 GFADRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)Nc1ccnn1Cc1cccc(Br)c1 ZINC000415527824 563782620 /nfs/dbraw/zinc/78/26/20/563782620.db2.gz OJSCFFGWEFDLKX-DOMZBBRYSA-N 1 0 392.301 2.813 20 0 GFADRO C[C@@H](C[NH3+])CNC(=O)Nc1nc2ccc(I)cc2s1 ZINC000415530798 563783293 /nfs/dbraw/zinc/78/32/93/563783293.db2.gz UASFWZYDEOTDFF-ZETCQYMHSA-N 1 0 390.250 2.617 20 0 GFADRO C[NH2+]CCC1CCN(C(=O)C(=O)Nc2cc(Cl)c(F)c(Cl)c2)CC1 ZINC000415548924 563783879 /nfs/dbraw/zinc/78/38/79/563783879.db2.gz JISDELFPAKJAAS-UHFFFAOYSA-N 1 0 376.259 2.919 20 0 GFADRO CSC[C@](C)(O)CNC(=O)NC[C@@H]1CC[N@H+](C)[C@@H]1c1cccc(Cl)c1 ZINC000365455667 563784305 /nfs/dbraw/zinc/78/43/05/563784305.db2.gz KINQAOUATFWZTR-YXJHDRRASA-N 1 0 385.961 2.746 20 0 GFADRO CC(C)n1nccc1NC(=O)[C@@H](C)[NH2+][C@H](CO)c1ccc(Br)cc1 ZINC000292383221 563784331 /nfs/dbraw/zinc/78/43/31/563784331.db2.gz ZHZFEKNMPFMNGI-IUODEOHRSA-N 1 0 395.301 2.877 20 0 GFADRO C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)Nc1cc(F)cc(F)c1Br ZINC000415553377 563784395 /nfs/dbraw/zinc/78/43/95/563784395.db2.gz FZLRQFODUBMVTJ-HQJQHLMTSA-N 1 0 378.217 2.962 20 0 GFADRO COc1c(Cl)cc(NC(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1Cl ZINC000415577519 563784859 /nfs/dbraw/zinc/78/48/59/563784859.db2.gz HHHDVBOJRNXLLF-DRCTWCGVSA-N 1 0 386.279 2.526 20 0 GFADRO C[C@]1(CNC(=O)C(=O)Nc2ccc(Cl)c(Br)c2)CCC[NH2+]C1 ZINC000415577551 563785087 /nfs/dbraw/zinc/78/50/87/563785087.db2.gz HHTOEOOOLCAIIQ-HNNXBMFYSA-N 1 0 388.693 2.547 20 0 GFADRO C[C@@]1(CNC(=O)C(=O)Nc2cccc(Br)c2Cl)CCC[NH2+]C1 ZINC000415570947 563785255 /nfs/dbraw/zinc/78/52/55/563785255.db2.gz MQODNHJTNZSBKT-OAHLLOKOSA-N 1 0 388.693 2.547 20 0 GFADRO C[C@@H](CNC(=O)C1(c2ccc(Br)cc2)CCOCC1)C[NH+](C)C ZINC000292410997 563785574 /nfs/dbraw/zinc/78/55/74/563785574.db2.gz PERIPAUZOJCBMK-AWEZNQCLSA-N 1 0 383.330 2.811 20 0 GFADRO COc1cc(NC(=O)N2CC[C@@H]([NH3+])C2)c(Br)cc1Br ZINC000415588260 563785888 /nfs/dbraw/zinc/78/58/88/563785888.db2.gz OPZZORRCBNAIJI-SSDOTTSWSA-N 1 0 393.079 2.785 20 0 GFADRO COc1ccc(NC(=O)N2CC[C@@H]([C@@H](C)[NH3+])C2)c(I)c1 ZINC000415597111 563786295 /nfs/dbraw/zinc/78/62/95/563786295.db2.gz MTTKBNIHAFPQHI-NXEZZACHSA-N 1 0 389.237 2.501 20 0 GFADRO COc1ccc(NC(=O)N[C@H]2CC[NH2+][C@@H](C)C2)c(I)c1 ZINC000415603062 563787030 /nfs/dbraw/zinc/78/70/30/563787030.db2.gz ZKDCUIDWVYLCBG-UWVGGRQHSA-N 1 0 389.237 2.562 20 0 GFADRO COC(=O)c1c(C)c(NC(=O)N2CC[C@@H](C)[C@@H](C[NH3+])C2)ccc1Br ZINC000415607139 563787466 /nfs/dbraw/zinc/78/74/66/563787466.db2.gz ZWNJPMIEADXWAS-PWSUYJOCSA-N 1 0 398.301 2.993 20 0 GFADRO COC(=O)c1cccc(NC(=O)NC[C@@]2(C)CCC[NH2+]C2)c1Br ZINC000415615332 563788145 /nfs/dbraw/zinc/78/81/45/563788145.db2.gz QUXJBTDBAVWLHF-INIZCTEOSA-N 1 0 384.274 2.747 20 0 GFADRO [NH3+][C@@H]1CCC[C@H](NC(=O)C(=O)Nc2cc(F)c(Br)cc2Cl)C1 ZINC000415638314 563789456 /nfs/dbraw/zinc/78/94/56/563789456.db2.gz BGWVGZIPVDBJFV-SFYZADRCSA-N 1 0 392.656 2.566 20 0 GFADRO Cc1cc(Br)cc(Cl)c1NC(=O)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000415639929 563789820 /nfs/dbraw/zinc/78/98/20/563789820.db2.gz DEYBQPQSNKNWLM-WDEREUQCSA-N 1 0 388.693 2.736 20 0 GFADRO Cc1csc(C(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)c1I ZINC000292567015 563790008 /nfs/dbraw/zinc/79/00/08/563790008.db2.gz OEPLZXVYOYSJEL-AWEZNQCLSA-N 1 0 390.290 2.829 20 0 GFADRO CC(C)c1cc(Br)ccc1NC(=O)C(=O)N[C@@H]1CCC[NH2+][C@@H]1C ZINC000415688001 563791304 /nfs/dbraw/zinc/79/13/04/563791304.db2.gz VWJDWCFEDBNRSH-BXUZGUMPSA-N 1 0 382.302 2.768 20 0 GFADRO O=C(Nc1cc(Cl)ccc1C(F)(F)F)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000415704747 563792139 /nfs/dbraw/zinc/79/21/39/563792139.db2.gz KPKQOZSFTFPADI-GFCCVEGCSA-N 1 0 376.810 2.870 20 0 GFADRO COC(=O)c1cc(NC(=O)N2C[C@@H](C)[NH2+]C[C@@H]2C)c(C)cc1Br ZINC000415713837 563793289 /nfs/dbraw/zinc/79/32/89/563793289.db2.gz XIZVIFKJSAAJBM-MNOVXSKESA-N 1 0 384.274 2.758 20 0 GFADRO CO[C@@H]1CCN(C(=O)Nc2ccc(Cl)cc2OCC(F)F)[C@@H](C[NH3+])C1 ZINC000415731283 563793366 /nfs/dbraw/zinc/79/33/66/563793366.db2.gz VAXAXVROZVFYMD-VXGBXAGGSA-N 1 0 377.819 2.954 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000415741113 563793833 /nfs/dbraw/zinc/79/38/33/563793833.db2.gz KGKCMUPYTFOWSN-LSDHHAIUSA-N 1 0 394.313 2.509 20 0 GFADRO CC(C)(CCC[NH3+])NC(=O)C(=O)Nc1cccc2c(Br)ccnc12 ZINC000415752195 563794532 /nfs/dbraw/zinc/79/45/32/563794532.db2.gz AEUYSOQOCXKLAJ-UHFFFAOYSA-N 1 0 393.285 2.570 20 0 GFADRO C[C@@H](CCCC[NH3+])NC(=O)C(=O)Nc1cc2c(cc1Br)CCC2 ZINC000415780396 563796271 /nfs/dbraw/zinc/79/62/71/563796271.db2.gz LPKMPOZFCOGUFB-NSHDSACASA-N 1 0 382.302 2.510 20 0 GFADRO C[C@@H]([NH3+])[C@H](C)NC(=O)C(=O)Nc1cc(Cl)ccc1SCC(F)(F)F ZINC000415778309 563796384 /nfs/dbraw/zinc/79/63/84/563796384.db2.gz FRTOUWJBYZVPHY-SFYZADRCSA-N 1 0 383.823 2.785 20 0 GFADRO Brc1ccc(C[C@@H]2CCN(Cc3nnc4n3CCOC4)C2)cc1 ZINC000292836400 563796645 /nfs/dbraw/zinc/79/66/45/563796645.db2.gz ZGLVWFZLEJIGAR-AWEZNQCLSA-N 1 0 377.286 2.635 20 0 GFADRO CCOc1c(Cl)cc(NC(=O)C(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1Cl ZINC000415797603 563797063 /nfs/dbraw/zinc/79/70/63/563797063.db2.gz WIWRHUPRNHTQRA-YGRLFVJLSA-N 1 0 386.279 2.541 20 0 GFADRO O=C(NCCC[C@H]1CCC[NH2+]1)C(=O)Nc1ccc(Br)c(Cl)c1 ZINC000415808051 563797534 /nfs/dbraw/zinc/79/75/34/563797534.db2.gz RRVVLAZYUSATNW-SNVBAGLBSA-N 1 0 388.693 2.689 20 0 GFADRO Cn1cc(Br)c(C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)n1 ZINC000292950505 563797645 /nfs/dbraw/zinc/79/76/45/563797645.db2.gz FVWPHFZITIOGAA-GFCCVEGCSA-N 1 0 383.315 2.811 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H](CNC(=O)C(=O)Nc2ccc(OC(F)F)c(Cl)c2)C1 ZINC000415806642 563797692 /nfs/dbraw/zinc/79/76/92/563797692.db2.gz KENMRSFLDJRORJ-NXEZZACHSA-N 1 0 375.803 2.514 20 0 GFADRO Cc1ccc(-c2csc(NC(=O)C(=O)NC[C@@H]3CCC[C@H]([NH3+])C3)n2)s1 ZINC000415814136 563797736 /nfs/dbraw/zinc/79/77/36/563797736.db2.gz QXUAWJGDFDTYIE-NEPJUHHUSA-N 1 0 378.523 2.752 20 0 GFADRO O=C(Nc1cc(Cl)c(F)c(Cl)c1)C(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000415815254 563798172 /nfs/dbraw/zinc/79/81/72/563798172.db2.gz FSOLUUWMATVFEQ-QWRGUYRKSA-N 1 0 388.270 2.919 20 0 GFADRO O=C1[C@@H](N2CC[NH+]([C@@H]3CCSC3)CC2)CCCN1c1ccccc1Cl ZINC000366066279 563798534 /nfs/dbraw/zinc/79/85/34/563798534.db2.gz HLVSPCCKKZGUHZ-QAPCUYQASA-N 1 0 379.957 2.959 20 0 GFADRO C[C@H]1CCN(C(=O)C(=O)Nc2cc(Cl)ccc2C(F)(F)F)C[C@H]1C[NH3+] ZINC000415840741 563798892 /nfs/dbraw/zinc/79/88/92/563798892.db2.gz GISAFHLXYUTEFL-VHSXEESVSA-N 1 0 377.794 2.741 20 0 GFADRO CCOc1c(Cl)cc(NC(=O)C(=O)N2CC[C@@H](C)[C@H](C[NH3+])C2)cc1Cl ZINC000415836911 563798895 /nfs/dbraw/zinc/79/88/95/563798895.db2.gz CGLUBVRLTNEGIQ-GHMZBOCLSA-N 1 0 388.295 2.774 20 0 GFADRO CN1CCC([NH+]2CCC(NC(=O)c3cccc(F)c3Br)CC2)CC1 ZINC000293033618 563799003 /nfs/dbraw/zinc/79/90/03/563799003.db2.gz PZIBDTDHVFQBOV-UHFFFAOYSA-N 1 0 398.320 2.877 20 0 GFADRO CC(C)c1cc(Br)ccc1NC(=O)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000415863763 563799750 /nfs/dbraw/zinc/79/97/50/563799750.db2.gz GXELOAZJRAGGJS-OLZOCXBDSA-N 1 0 394.313 2.579 20 0 GFADRO Cc1ccc([C@@H](CNC(=O)c2nn(C)cc2Br)[NH+]2CCCC2)o1 ZINC000293080352 563800279 /nfs/dbraw/zinc/80/02/79/563800279.db2.gz OWDIGVAABFLQHI-CYBMUJFWSA-N 1 0 381.274 2.651 20 0 GFADRO CC(C)Sc1c(Cl)cccc1NC(=O)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000415891196 563800451 /nfs/dbraw/zinc/80/04/51/563800451.db2.gz JOXWIONLSSMBPW-OLZOCXBDSA-N 1 0 381.929 2.847 20 0 GFADRO O=C(Nc1cccnc1-c1ccc(Cl)s1)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000415874674 563800595 /nfs/dbraw/zinc/80/05/95/563800595.db2.gz XDOXVQQXTPYQLH-NSHDSACASA-N 1 0 378.885 2.660 20 0 GFADRO Cc1ccc(I)cc1C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000366221280 563801641 /nfs/dbraw/zinc/80/16/41/563801641.db2.gz IEDGRRAUVLWSGC-ZIAGYGMSSA-N 1 0 384.261 2.956 20 0 GFADRO C[C@@H](CNC(=O)N[C@H](CC[NH3+])C(F)(F)F)Oc1ccccc1Br ZINC000416002745 563801987 /nfs/dbraw/zinc/80/19/87/563801987.db2.gz FRZIKUCNGZFKTE-JOYOIKCWSA-N 1 0 398.223 2.795 20 0 GFADRO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)Nc1cc(Cl)ccc1OC(F)(F)F ZINC000293159782 563802375 /nfs/dbraw/zinc/80/23/75/563802375.db2.gz SXFFLLYXTNJFPC-VIFPVBQESA-N 1 0 381.782 2.634 20 0 GFADRO C[C@H](CC(=O)NCC[N@@H+]1CCCOCC1)c1ccc(F)c(Br)c1 ZINC000293192328 563803263 /nfs/dbraw/zinc/80/32/63/563803263.db2.gz HZTMRAVRPKWZSP-CYBMUJFWSA-N 1 0 387.293 2.920 20 0 GFADRO [NH3+]CC[C@@H](NC(=O)NCc1cc(F)c(F)cc1Br)C(F)(F)F ZINC000416040929 563803689 /nfs/dbraw/zinc/80/36/89/563803689.db2.gz HYONXGRQOIJFBW-SNVBAGLBSA-N 1 0 390.150 2.806 20 0 GFADRO CCNC(=O)[C@@H]([NH2+]CC(=O)Nc1ccc(Br)cc1Cl)C(C)C ZINC000293251532 563805120 /nfs/dbraw/zinc/80/51/20/563805120.db2.gz MAIUNTMLCDTCDW-AWEZNQCLSA-N 1 0 390.709 2.791 20 0 GFADRO CCC[N@@H+]1CCCN(C(=O)c2c(C)nc3ccc(Br)cn32)CC1 ZINC000366382290 563806935 /nfs/dbraw/zinc/80/69/35/563806935.db2.gz XOVRPPLCNADHRK-UHFFFAOYSA-N 1 0 379.302 2.963 20 0 GFADRO O=C(CC[N@@H+]1CCc2ccccc2C1)Nc1cc(Br)c[nH]c1=O ZINC000416146434 563807139 /nfs/dbraw/zinc/80/71/39/563807139.db2.gz UTXKQNISJWXUGZ-UHFFFAOYSA-N 1 0 376.254 2.937 20 0 GFADRO COc1ccc(Br)c(CNC(=O)N(C)[C@@H]2CC[N@H+](C)C[C@H]2C)c1 ZINC000443624401 563808638 /nfs/dbraw/zinc/80/86/38/563808638.db2.gz DWXUSIAAFRQEQL-MLGOLLRUSA-N 1 0 384.318 2.939 20 0 GFADRO O=S(=O)(c1ccc(F)cc1Br)N1CCC[C@H]2C[NH2+]CCC[C@H]21 ZINC000366484928 563809969 /nfs/dbraw/zinc/80/99/69/563809969.db2.gz RRGWHAJIAJRDMR-SMDDNHRTSA-N 1 0 391.306 2.741 20 0 GFADRO C[C@@H](O)C[N@@H+]1CCN(C(=O)N[C@H](C)c2ccc(Br)s2)C[C@H]1C ZINC000443741054 563811187 /nfs/dbraw/zinc/81/11/87/563811187.db2.gz AWFMQJVESSVCFR-IJLUTSLNSA-N 1 0 390.347 2.668 20 0 GFADRO O=C1NC(=O)[C@H]2C[N@H+](Cc3ccc(-c4cccc(Br)c4)o3)CC[C@@H]12 ZINC000366543825 563812895 /nfs/dbraw/zinc/81/28/95/563812895.db2.gz JUUSCVTYEQFBFF-CABCVRRESA-N 1 0 389.249 2.804 20 0 GFADRO O=C(CCC[S@](=O)c1ccc(Br)cc1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000293462468 563813609 /nfs/dbraw/zinc/81/36/09/563813609.db2.gz QCYAPYBYDZPTCL-LTJFPGKXSA-N 1 0 399.354 2.547 20 0 GFADRO C[NH+](C)C1(CNC(=O)[C@H]2CCCN2C(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000416300888 563814195 /nfs/dbraw/zinc/81/41/95/563814195.db2.gz JJHWTAYGMRSHFC-OAHLLOKOSA-N 1 0 384.307 2.808 20 0 GFADRO C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000293490245 563814964 /nfs/dbraw/zinc/81/49/64/563814964.db2.gz STMQCARIWVGMCI-QLFBSQMISA-N 1 0 382.346 2.820 20 0 GFADRO O[C@@H](COCC(F)(F)F)C[NH+]1CCC(c2nc(C(F)(F)F)c[nH]2)CC1 ZINC000366597513 563815366 /nfs/dbraw/zinc/81/53/66/563815366.db2.gz NTHSHEFQXSUAOV-SNVBAGLBSA-N 1 0 375.313 2.548 20 0 GFADRO C[NH+](C)C1(CNC(=O)c2ccc3cc(I)ccc3n2)CC1 ZINC000416305878 563815614 /nfs/dbraw/zinc/81/56/14/563815614.db2.gz CZUSAMYXCIRYPK-UHFFFAOYSA-N 1 0 395.244 2.663 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000366620432 563815923 /nfs/dbraw/zinc/81/59/23/563815923.db2.gz QUCWSWCBFRJIBA-UHFFFAOYSA-N 1 0 394.313 2.829 20 0 GFADRO Cc1cc(CCC(=O)N2C[C@H](C)[N@@H+](CCO)C[C@H]2C)ccc1Br ZINC000416318664 563816049 /nfs/dbraw/zinc/81/60/49/563816049.db2.gz XZNXPDWRDACBFP-LSDHHAIUSA-N 1 0 383.330 2.604 20 0 GFADRO CCC[NH+]1CCC(NS(=O)(=O)c2cc(Cl)c(OC)cc2OC)CC1 ZINC000416368023 563818228 /nfs/dbraw/zinc/81/82/28/563818228.db2.gz GESLYUVNCRKUID-UHFFFAOYSA-N 1 0 376.906 2.510 20 0 GFADRO CC[N@@H+]1CCC[C@H](CNS(=O)(=O)c2cc(C)cc(Br)c2)C1 ZINC000444037376 563818515 /nfs/dbraw/zinc/81/85/15/563818515.db2.gz ZMPOGRWRFGALJK-CYBMUJFWSA-N 1 0 375.332 2.768 20 0 GFADRO Cc1sc(Br)c(C(=O)N[C@H](CO)C[NH+]2CCCCC2)c1C ZINC000293577847 563818630 /nfs/dbraw/zinc/81/86/30/563818630.db2.gz JNOQBTWXRZKLMH-LBPRGKRZSA-N 1 0 375.332 2.704 20 0 GFADRO C[C@H]([NH2+]C1(Cc2ccc(F)cc2Br)CCOCC1)c1nnnn1C ZINC000293566000 563818994 /nfs/dbraw/zinc/81/89/94/563818994.db2.gz MNZJGNCJWOYDNE-NSHDSACASA-N 1 0 398.280 2.554 20 0 GFADRO CC[N@H+](C)CCNS(=O)(=O)c1ccc(Br)c(Cl)c1Cl ZINC000444064673 563819301 /nfs/dbraw/zinc/81/93/01/563819301.db2.gz JHFVCYLWDOTZOH-UHFFFAOYSA-N 1 0 390.130 2.986 20 0 GFADRO C[C@@H](CNc1nnc(-c2cc(Cl)cc(Cl)c2)s1)N1CC[NH+](C)CC1 ZINC000444097576 563821593 /nfs/dbraw/zinc/82/15/93/563821593.db2.gz UWBRBUNNGTWGAE-NSHDSACASA-N 1 0 386.352 3.560 20 0 GFADRO CCS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC[C@@H]3C[NH2+]CCC[C@@H]32)c1 ZINC000366834777 563821606 /nfs/dbraw/zinc/82/16/06/563821606.db2.gz AKJLPGMXFXGPBO-DYVFJYSZSA-N 1 0 384.929 2.738 20 0 GFADRO O=C(NCCSCCOc1cccc(Br)c1)[C@H]1C[C@]12CC[NH2+]C2 ZINC000444121666 563821842 /nfs/dbraw/zinc/82/18/42/563821842.db2.gz LXHIBRJNSAOJLE-WBVHZDCISA-N 1 0 399.354 2.677 20 0 GFADRO COc1ccc(Br)cc1CC(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000293824623 563824608 /nfs/dbraw/zinc/82/46/08/563824608.db2.gz BLINZWRIAFZOLK-SFHVURJKSA-N 1 0 381.314 2.945 20 0 GFADRO COC(=O)c1ccc(C[NH2+][C@@H]2CCO[C@]3(CCOC3)C2)c(Br)c1 ZINC000366931768 563825274 /nfs/dbraw/zinc/82/52/74/563825274.db2.gz IOXPZFDBHXPMDI-RHSMWYFYSA-N 1 0 384.270 2.663 20 0 GFADRO O=C(NCCC[NH+]1CCC(O)CC1)c1ccc(Br)c(Cl)c1F ZINC000444262122 563826165 /nfs/dbraw/zinc/82/61/65/563826165.db2.gz UNSZSJCLTUXSCA-UHFFFAOYSA-N 1 0 393.684 2.818 20 0 GFADRO O=C(NC1CCN(Cc2ccc(Br)cc2)CC1)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000444263282 563826319 /nfs/dbraw/zinc/82/63/19/563826319.db2.gz FAUSRXXGZMJZNX-PKOBYXMFSA-N 1 0 392.341 2.529 20 0 GFADRO Cc1c(Br)cccc1S(=O)(=O)N1C[C@@H]([NH3+])Cc2ccccc21 ZINC000416424078 563827113 /nfs/dbraw/zinc/82/71/13/563827113.db2.gz AHFIVZUQYYQNDF-ZDUSSCGKSA-N 1 0 381.295 2.836 20 0 GFADRO O=C(c1c[nH]c2cccc(Br)c12)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000367060213 563829568 /nfs/dbraw/zinc/82/95/68/563829568.db2.gz OTOUBLANVFIEIT-CVEARBPZSA-N 1 0 392.297 2.602 20 0 GFADRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)CNC(=O)c3ccc(Cl)c(Cl)c3)C2)C1 ZINC000294157687 563832082 /nfs/dbraw/zinc/83/20/82/563832082.db2.gz NVQPXEQMQCNFOT-GOSISDBHSA-N 1 0 384.307 2.668 20 0 GFADRO COc1cc(OC)c(S(=O)(=O)N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)cc1Cl ZINC000416470051 563833727 /nfs/dbraw/zinc/83/37/27/563833727.db2.gz FROLQSGTHPDJPE-CHWSQXEVSA-N 1 0 390.933 2.756 20 0 GFADRO O=C1NCCN(CCC[NH+]2CCCCC2)[C@H]1c1cccc(Br)c1 ZINC000444614176 563833848 /nfs/dbraw/zinc/83/38/48/563833848.db2.gz ZQHALXFORBBRRP-KRWDZBQOSA-N 1 0 380.330 2.798 20 0 GFADRO CS(=O)(=O)[C@@H]1CCC[C@@H]([NH2+]C[C@@H](O)COc2cccc(Cl)c2Cl)C1 ZINC000294256059 563836237 /nfs/dbraw/zinc/83/62/37/563836237.db2.gz NNNMPQWVZDCEOX-JHJVBQTASA-N 1 0 396.336 2.679 20 0 GFADRO CCC[N@H+](CC)C[C@@H](C)NS(=O)(=O)c1cc(Cl)c(OC)cc1OC ZINC000416483992 563836651 /nfs/dbraw/zinc/83/66/51/563836651.db2.gz PNEFACJDTMSTPA-GFCCVEGCSA-N 1 0 378.922 2.756 20 0 GFADRO COc1cc(OC)c(S(=O)(=O)N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)cc1Cl ZINC000416488803 563837026 /nfs/dbraw/zinc/83/70/26/563837026.db2.gz PPRXFYDFLILHDH-QWHCGFSZSA-N 1 0 388.917 2.605 20 0 GFADRO CCO[C@H]1C[C@](CO)([NH2+]Cc2ccc(I)cc2)C1(C)C ZINC000444799572 563837417 /nfs/dbraw/zinc/83/74/17/563837417.db2.gz HZKUUYMEVKHKDL-GOEBONIOSA-N 1 0 389.277 2.947 20 0 GFADRO CCO[C@H]1C[C@@](CO)([NH2+]CC(=O)Nc2ccc(Br)c(C)c2)C1(C)C ZINC000444791892 563837631 /nfs/dbraw/zinc/83/76/31/563837631.db2.gz MDPCMNQJDSTWLS-YJBOKZPZSA-N 1 0 399.329 2.852 20 0 GFADRO CS(=O)(=O)CC1CCC([NH2+]Cc2ccncc2OCC(F)(F)F)CC1 ZINC000294302554 563837749 /nfs/dbraw/zinc/83/77/49/563837749.db2.gz NMDGNKOSPJKDJS-UHFFFAOYSA-N 1 0 380.432 2.716 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)N1CCOc2ccc(Br)cc2C1 ZINC000367271591 563838667 /nfs/dbraw/zinc/83/86/67/563838667.db2.gz PNRBCEIOPHVDAK-CVEARBPZSA-N 1 0 394.313 2.980 20 0 GFADRO COC(=O)c1c(Cl)cccc1S(=O)(=O)NC(C)(C)CCC[NH+](C)C ZINC000416497267 563839303 /nfs/dbraw/zinc/83/93/03/563839303.db2.gz ROAGIQKXFJLDMN-UHFFFAOYSA-N 1 0 376.906 2.525 20 0 GFADRO C[NH+](C)CC(C)(C)NS(=O)(=O)c1cc(Br)sc1Cl ZINC000416509455 563840682 /nfs/dbraw/zinc/84/06/82/563840682.db2.gz RMWYGVWAQNNRKX-UHFFFAOYSA-N 1 0 375.741 2.783 20 0 GFADRO [NH3+][C@H]1CCc2nc(NC(=O)CCc3nnc(-c4ccsc4)o3)sc2C1 ZINC000367317600 563840753 /nfs/dbraw/zinc/84/07/53/563840753.db2.gz LTETYJNRUBXTMS-JTQLQIEISA-N 1 0 375.479 2.642 20 0 GFADRO C[C@@H](Oc1ccc(Br)cc1)C(=O)Nc1cnc2c(c1)C[NH2+]CC2 ZINC000367376371 563842161 /nfs/dbraw/zinc/84/21/61/563842161.db2.gz CWNPJKSJRFXJHR-LLVKDONJSA-N 1 0 376.254 2.896 20 0 GFADRO Cc1cccc(S(=O)(=O)NCC2CC[NH+](C3CC3)CC2)c1Br ZINC000445078358 563843209 /nfs/dbraw/zinc/84/32/09/563843209.db2.gz UJFZEMINNDFDMC-UHFFFAOYSA-N 1 0 387.343 2.910 20 0 GFADRO O=C(C[NH2+][C@@H](c1cncc(Br)c1)C1CC1)N1CCOC[C@H]1C1CC1 ZINC000367452879 563845134 /nfs/dbraw/zinc/84/51/34/563845134.db2.gz WVFYLQQBZZUNNR-FUHWJXTLSA-N 1 0 394.313 2.522 20 0 GFADRO COc1sc(CN2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)cc1Br ZINC000367461625 563845493 /nfs/dbraw/zinc/84/54/93/563845493.db2.gz ZHCYIYRFMVHQGE-KBPBESRZSA-N 1 0 375.332 2.550 20 0 GFADRO Cc1ccc(Br)c(S(=O)(=O)NCC[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000416550611 563846989 /nfs/dbraw/zinc/84/69/89/563846989.db2.gz FHXVLNLHNZHKSU-ZDUSSCGKSA-N 1 0 375.332 2.768 20 0 GFADRO Cc1ccc(S(=O)(=O)NCC[C@H]2CCC[N@@H+](C)C2)c(Br)c1 ZINC000416557575 563848252 /nfs/dbraw/zinc/84/82/52/563848252.db2.gz HEFCHBNKXXTPQW-CYBMUJFWSA-N 1 0 375.332 2.768 20 0 GFADRO C[N@@H+]1CCC[C@@H](CCNS(=O)(=O)c2ccc(Br)cc2F)C1 ZINC000416559032 563848469 /nfs/dbraw/zinc/84/84/69/563848469.db2.gz QBKSIZFAOYRYCU-NSHDSACASA-N 1 0 379.295 2.598 20 0 GFADRO O=C(NCCCn1cc(Br)cn1)NC1CC[NH+](C2CCCC2)CC1 ZINC000367576940 563849495 /nfs/dbraw/zinc/84/94/95/563849495.db2.gz RGYSPLGHSWQCBH-UHFFFAOYSA-N 1 0 398.349 2.742 20 0 GFADRO CCN(CC)S(=O)(=O)c1ccc(CC[NH2+][C@H]2CCCc3n[nH]cc32)s1 ZINC000367620779 563850688 /nfs/dbraw/zinc/85/06/88/563850688.db2.gz RIQBFUQUEMSXGA-HNNXBMFYSA-N 1 0 382.555 2.711 20 0 GFADRO COc1c(C)cc(S(=O)(=O)N2C[C@@H](SC)[C@H]([NH+]3CCCC3)C2)cc1C ZINC000445711540 563852711 /nfs/dbraw/zinc/85/27/11/563852711.db2.gz IPGRCBFYGXGSQM-IAGOWNOFSA-N 1 0 384.567 2.512 20 0 GFADRO Cc1cc(Br)cc(C)c1S(=O)(=O)NCC1([NH+](C)C)CCC1 ZINC000445746272 563853889 /nfs/dbraw/zinc/85/38/89/563853889.db2.gz YQMPSILMUPRVED-UHFFFAOYSA-N 1 0 375.332 2.829 20 0 GFADRO Cc1csc(=O)n1CC[NH+]1CCC(Cn2cc(Br)cn2)CC1 ZINC000367790682 563855241 /nfs/dbraw/zinc/85/52/41/563855241.db2.gz JFMUYLPJNZZKGO-UHFFFAOYSA-N 1 0 385.331 2.589 20 0 GFADRO CN(C(=O)[C@@H]1CC(=O)Nc2ccc(Br)cc21)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000446038516 563857550 /nfs/dbraw/zinc/85/75/50/563857550.db2.gz HBEKQZCDYZWKHV-DZGCQCFKSA-N 1 0 392.297 2.570 20 0 GFADRO COc1cc(Cl)c(S(=O)(=O)N(C)C(C)(C)C[NH+]2CCCC2)cc1OC ZINC000416660059 563859081 /nfs/dbraw/zinc/85/90/81/563859081.db2.gz JONPUYMDLIICOX-UHFFFAOYSA-N 1 0 390.933 2.852 20 0 GFADRO Cc1cc(C(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)nn1-c1ccc(Br)cc1 ZINC000367988799 563861513 /nfs/dbraw/zinc/86/15/13/563861513.db2.gz UZCJGOCLHPDXEA-UONOGXRCSA-N 1 0 389.297 2.625 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)N[C@@H](C)CCCC[NH3+] ZINC000416819965 563861773 /nfs/dbraw/zinc/86/17/73/563861773.db2.gz BPYURWDQQJPPSU-LBPRGKRZSA-N 1 0 385.306 2.513 20 0 GFADRO Ic1cnc(CN2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@@H]3C2)s1 ZINC000368019490 563861890 /nfs/dbraw/zinc/86/18/90/563861890.db2.gz SDDYKGHTHFYBIH-UTUOFQBUSA-N 1 0 389.306 2.664 20 0 GFADRO CCCC[C@@H](C[NH3+])NC(=O)NCC(=O)Nc1ccc(Br)cc1C ZINC000416821759 563862023 /nfs/dbraw/zinc/86/20/23/563862023.db2.gz FBJXGEQMAISFST-ZDUSSCGKSA-N 1 0 385.306 2.513 20 0 GFADRO CC(C)(C)c1csc([C@H]2CN(C[C@@H](O)COCC(F)(F)F)CCO2)n1 ZINC000368031356 563862077 /nfs/dbraw/zinc/86/20/77/563862077.db2.gz UTXGEKOZWIYTPF-VXGBXAGGSA-N 1 0 382.448 2.754 20 0 GFADRO O=C(N[C@@H]1CCSc2ccc(Cl)cc21)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000416923642 563863054 /nfs/dbraw/zinc/86/30/54/563863054.db2.gz WHOXSCTURZCWDD-GOEBONIOSA-N 1 0 380.945 2.566 20 0 GFADRO [NH3+][C@@H]1CCC[C@H](NC(=O)[C@@H](c2ccc(Cl)cc2Cl)N2CCOCC2)C1 ZINC000446403608 563864049 /nfs/dbraw/zinc/86/40/49/563864049.db2.gz XSKWRRXLNPABEY-JKIFEVAISA-N 1 0 386.323 2.753 20 0 GFADRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)Nc1ccc(Br)cn1 ZINC000446557661 563865481 /nfs/dbraw/zinc/86/54/81/563865481.db2.gz QSLNINJGQFEKLM-CQSZACIVSA-N 1 0 397.317 2.553 20 0 GFADRO Cc1cc(F)c(Br)cc1NC(=O)N1C[C@H](C)[N@@H+](CCO)C[C@@H]1C ZINC000417038905 563865872 /nfs/dbraw/zinc/86/58/72/563865872.db2.gz JTIMCBYPGNEPBQ-RYUDHWBXSA-N 1 0 388.281 2.815 20 0 GFADRO Cc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000368212915 563866269 /nfs/dbraw/zinc/86/62/69/563866269.db2.gz JLZOPBVDOUTVRV-STQMWFEESA-N 1 0 385.270 2.976 20 0 GFADRO CN1CC[NH+](CC2(C)CCN(C(=O)c3occc3Br)CC2)CC1 ZINC000368324219 563868448 /nfs/dbraw/zinc/86/84/48/563868448.db2.gz OBMCCHSRTZHAPZ-UHFFFAOYSA-N 1 0 384.318 2.532 20 0 GFADRO CS(=O)(=O)NC[C@H]1CCCC[N@@H+]1CCc1cccc(OC(F)(F)F)c1 ZINC000446768158 563868858 /nfs/dbraw/zinc/86/88/58/563868858.db2.gz XQZCGLMGJIONTI-CQSZACIVSA-N 1 0 380.432 2.531 20 0 GFADRO C[NH2+]C[C@H](C)CNC(=O)NCC1(c2cccc(Br)c2)CCOCC1 ZINC000417176537 563870275 /nfs/dbraw/zinc/87/02/75/563870275.db2.gz KIKBCAJARSZKAM-AWEZNQCLSA-N 1 0 398.345 2.652 20 0 GFADRO C[C@H]1C[NH2+]CCN1C(=O)NCC1(c2cccc(Br)c2)CCOCC1 ZINC000417182999 563871418 /nfs/dbraw/zinc/87/14/18/563871418.db2.gz RGUSVDODRZZZTF-AWEZNQCLSA-N 1 0 396.329 2.501 20 0 GFADRO [NH3+]C[C@H](NC(=O)NCc1cn2cc(Br)ccc2n1)C1CCCCC1 ZINC000417216581 563873752 /nfs/dbraw/zinc/87/37/52/563873752.db2.gz JOTSPHZZFPIUHL-HNNXBMFYSA-N 1 0 394.317 2.804 20 0 GFADRO COC(=O)C1CCC([NH2+][C@H]2CCN(c3cccc(Br)c3)C2=O)CC1 ZINC000447076720 563874187 /nfs/dbraw/zinc/87/41/87/563874187.db2.gz OEMZKFLBTRQJGI-PXCJXSSVSA-N 1 0 395.297 2.876 20 0 GFADRO CCC[C@H]1C[NH2+]CCN1C(=O)NCCC(=O)Nc1ccc(Br)cc1 ZINC000417224502 563874282 /nfs/dbraw/zinc/87/42/82/563874282.db2.gz MQLYSBQJHPWDKJ-HNNXBMFYSA-N 1 0 397.317 2.561 20 0 GFADRO COc1cc(Br)ccc1C[NH2+][C@@H]1CCCN(c2ccnn2C)C1 ZINC000447078854 563874428 /nfs/dbraw/zinc/87/44/28/563874428.db2.gz VOPZGUJUUSUDER-OAHLLOKOSA-N 1 0 379.302 2.950 20 0 GFADRO C[C@@H]1C[C@@H]([NH2+][C@H]2CCN(c3cccc(Br)c3)C2=O)CN1C1CC1 ZINC000447090343 563874582 /nfs/dbraw/zinc/87/45/82/563874582.db2.gz YCIKMLXNFYWCFI-MRRJBJDNSA-N 1 0 378.314 2.769 20 0 GFADRO CC(C)[C@H]([NH3+])CCN(C)C(=O)NCc1cn2cc(Br)ccc2n1 ZINC000417228445 563874745 /nfs/dbraw/zinc/87/47/45/563874745.db2.gz WFEPFLINNCMESY-CQSZACIVSA-N 1 0 382.306 2.612 20 0 GFADRO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCN(c3cccc(Br)c3)C2=O)CN1C1CC1 ZINC000447090347 563874739 /nfs/dbraw/zinc/87/47/39/563874739.db2.gz YCIKMLXNFYWCFI-SUYBPPKGSA-N 1 0 378.314 2.769 20 0 GFADRO CC[NH2+][C@H](C)CNC(=O)NC[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000417262838 563875790 /nfs/dbraw/zinc/87/57/90/563875790.db2.gz OMQYKBHJMKBNQP-ZIAGYGMSSA-N 1 0 383.334 2.573 20 0 GFADRO O=C(NOCc1ccc(F)cc1Br)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000368701819 563877011 /nfs/dbraw/zinc/87/70/11/563877011.db2.gz MUZSNXSSRSOSFK-KBPBESRZSA-N 1 0 386.265 2.946 20 0 GFADRO COCC1(CNC(=O)N[C@H](C)Cc2cccc(Br)c2)CC[NH2+]CC1 ZINC000417290774 563877120 /nfs/dbraw/zinc/87/71/20/563877120.db2.gz YTJSZJCTNIOSQN-CQSZACIVSA-N 1 0 398.345 2.696 20 0 GFADRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)NCCOc3ccc(Br)cc3)C[C@H]21 ZINC000417318827 563878242 /nfs/dbraw/zinc/87/82/42/563878242.db2.gz MLBUWAWIZYLLAM-APHBMKBZSA-N 1 0 382.302 2.597 20 0 GFADRO C[NH2+]C[C@@H](C)CNC(=O)NCc1ccc(I)cc1Cl ZINC000418116431 563899534 /nfs/dbraw/zinc/89/95/34/563899534.db2.gz BBZRNOBITKEOBD-SECBINFHSA-N 1 0 395.672 2.599 20 0 GFADRO Cc1cc(Br)cc(C)c1S(=O)(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000447253190 563878523 /nfs/dbraw/zinc/87/85/23/563878523.db2.gz WSDDXDSUTLWOLJ-NWANDNLSSA-N 1 0 387.343 2.814 20 0 GFADRO CO[C@H](C[NH2+][C@H](C)c1ccc(Br)c(S(N)(=O)=O)c1)CC(C)C ZINC000417364341 563878695 /nfs/dbraw/zinc/87/86/95/563878695.db2.gz LVIZHAZMAUDQMM-YPMHNXCESA-N 1 0 393.347 2.808 20 0 GFADRO COc1cc(CNC(=O)N[C@@H](C)CCCC[NH3+])cc(Br)c1OC ZINC000417374508 563878756 /nfs/dbraw/zinc/87/87/56/563878756.db2.gz KOXOTOPBIVFUKB-NSHDSACASA-N 1 0 388.306 2.783 20 0 GFADRO O=C(NCc1ccc2c(c1)C[NH2+]C2)c1cc(F)ccc1I ZINC000368810828 563879289 /nfs/dbraw/zinc/87/92/89/563879289.db2.gz PSFIGRAKLORJKK-UHFFFAOYSA-N 1 0 396.203 2.964 20 0 GFADRO CCC[NH2+]CCNC(=O)NCc1cc(Br)ccc1OC(F)F ZINC000417404600 563879379 /nfs/dbraw/zinc/87/93/79/563879379.db2.gz HOTMTZSWYZRMMW-UHFFFAOYSA-N 1 0 380.233 2.849 20 0 GFADRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)NCc1cc(Br)ccc1OC(F)F ZINC000417408272 563879664 /nfs/dbraw/zinc/87/96/64/563879664.db2.gz OGXNRHVNOGEMDE-JOYOIKCWSA-N 1 0 392.244 2.848 20 0 GFADRO COCC1(CNC(=O)N[C@@H]2CCc3c2cccc3Br)CC[NH2+]CC1 ZINC000417453548 563880800 /nfs/dbraw/zinc/88/08/00/563880800.db2.gz OMBUUBOLEOPXTR-MRXNPFEDSA-N 1 0 396.329 2.752 20 0 GFADRO O=C(C[C@@H]1Sc2ccc(Cl)cc2NC1=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000368926085 563882134 /nfs/dbraw/zinc/88/21/34/563882134.db2.gz MVHNZFAKAVXSHT-BBRMVZONSA-N 1 0 379.913 2.840 20 0 GFADRO C[NH+]1CCC(C(=O)N[C@@H]2CCCN(c3ccc(Cl)cc3Cl)C2=O)CC1 ZINC000368950724 563882615 /nfs/dbraw/zinc/88/26/15/563882615.db2.gz NHOJMDKNRNWYIL-OAHLLOKOSA-N 1 0 384.307 2.947 20 0 GFADRO CCc1n[nH]c(C(=O)N(CC[NH+](C)C)Cc2cccc(O)c2)c1Br ZINC000447549469 563882700 /nfs/dbraw/zinc/88/27/00/563882700.db2.gz DXPROBZFBZXXCE-UHFFFAOYSA-N 1 0 395.301 2.644 20 0 GFADRO CN1CC[NH+](C[C@@H]2CCCN(C(=O)c3cc(F)cc(Br)c3)C2)CC1 ZINC000368979822 563883255 /nfs/dbraw/zinc/88/32/55/563883255.db2.gz VYVOOLWUVROCON-AWEZNQCLSA-N 1 0 398.320 2.688 20 0 GFADRO Clc1ccc(Cl)c([C@@H](NCc2nnc3n2CCOC3)[C@H]2CCOC2)c1 ZINC000368989714 563883541 /nfs/dbraw/zinc/88/35/41/563883541.db2.gz KCQHTORCDVPXGB-GTNSWQLSSA-N 1 0 383.279 2.983 20 0 GFADRO COc1c(Br)cccc1C[NH2+][C@H]1CCCN(Cc2noc(C)n2)C1 ZINC000369018259 563885151 /nfs/dbraw/zinc/88/51/51/563885151.db2.gz LBOCTFXPACTYAL-AWEZNQCLSA-N 1 0 395.301 2.903 20 0 GFADRO [NH3+][C@@H]1CCC[C@H](CNC(=O)N[C@@H]2CCN(c3ccccc3Br)C2)C1 ZINC000417593164 563885480 /nfs/dbraw/zinc/88/54/80/563885480.db2.gz FUYNGBDXNITGFM-RRFJBIMHSA-N 1 0 395.345 2.845 20 0 GFADRO [NH3+]CC[C@H]1CCCN(C(=O)N[C@H]2CCN(c3ccccc3Br)C2)C1 ZINC000417592024 563885615 /nfs/dbraw/zinc/88/56/15/563885615.db2.gz DXPXVUIAUJOPNT-CABCVRRESA-N 1 0 395.345 2.798 20 0 GFADRO O=C(NCCCc1ccc(Br)cc1F)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000417683193 563887272 /nfs/dbraw/zinc/88/72/72/563887272.db2.gz UKHXEPJOCUTDPX-QGZVFWFLSA-N 1 0 384.293 2.916 20 0 GFADRO [NH3+]CC[C@H](NC(=O)NCC1(c2ccccc2Br)CC1)C(F)F ZINC000417722432 563887295 /nfs/dbraw/zinc/88/72/95/563887295.db2.gz BIUFKGFYNMSERC-LBPRGKRZSA-N 1 0 376.245 2.762 20 0 GFADRO COC[C@]1(CNC(=O)NCC2(c3ccccc3Br)CC2)CCC[NH2+]1 ZINC000417730057 563887970 /nfs/dbraw/zinc/88/79/70/563887970.db2.gz LZPOUVDZHLPAJB-GOSISDBHSA-N 1 0 396.329 2.549 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)N1CCC(n2cc(Br)cn2)CC1 ZINC000369149876 563888112 /nfs/dbraw/zinc/88/81/12/563888112.db2.gz RBANWUVZPVNXMK-ZBFHGGJFSA-N 1 0 396.333 2.619 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCN(C(=O)NCCOc2ncc(C(F)(F)F)cc2Cl)C1 ZINC000417728538 563888160 /nfs/dbraw/zinc/88/81/60/563888160.db2.gz ASYFQRJDZFLYCS-UWVGGRQHSA-N 1 0 380.798 2.511 20 0 GFADRO C[C@H](CNC(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1)Oc1ccc(Br)cc1 ZINC000417769410 563888458 /nfs/dbraw/zinc/88/84/58/563888458.db2.gz DOOIXMRFDHZOQV-GFOFROLCSA-N 1 0 396.329 2.985 20 0 GFADRO CCCN(C(=O)NC[C@H](C)Oc1ccc(Br)cc1)[C@@H]1CC[NH2+]C1 ZINC000417775142 563888653 /nfs/dbraw/zinc/88/86/53/563888653.db2.gz MLXCNLONJXANHM-DZGCQCFKSA-N 1 0 384.318 3.000 20 0 GFADRO CC[C@H](NC(=O)N1CC[C@H](OC)C[C@H]1C[NH3+])c1nc(C(F)(F)F)cs1 ZINC000417787987 563889258 /nfs/dbraw/zinc/88/92/58/563889258.db2.gz SOEKOCNDGCJEAE-DCAQKATOSA-N 1 0 380.436 2.761 20 0 GFADRO C[C@H](CNC(=O)N[C@H]1C[NH2+]CCC1(F)F)Oc1cccc(Br)c1 ZINC000417786951 563889306 /nfs/dbraw/zinc/88/93/06/563889306.db2.gz FGJIYCLFOYJMFH-MFKMUULPSA-N 1 0 392.244 2.513 20 0 GFADRO O=S(=O)(c1ccc(Cl)c(Br)c1)N1CCC2(C1)CC[NH2+]CC2 ZINC000369182075 563889345 /nfs/dbraw/zinc/88/93/45/563889345.db2.gz DXXQVIWTGWFOCO-UHFFFAOYSA-N 1 0 393.734 2.867 20 0 GFADRO C[C@H](CNC(=O)N[C@H](C)[C@H]1CCC[NH2+]C1)Oc1ccccc1Br ZINC000417818495 563889914 /nfs/dbraw/zinc/88/99/14/563889914.db2.gz FNKKBKTZINWHHD-MCIONIFRSA-N 1 0 384.318 2.904 20 0 GFADRO C[C@H]([NH2+][C@@H](CO)[C@H]1CCCO1)C(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000447923643 563890629 /nfs/dbraw/zinc/89/06/29/563890629.db2.gz SXKWUULYAVJYDS-QCZZGDTMSA-N 1 0 380.794 2.815 20 0 GFADRO CC[NH2+][C@H](C)CNC(=O)N[C@H](C)c1nc(-c2ccc(Br)cc2)no1 ZINC000417892349 563890873 /nfs/dbraw/zinc/89/08/73/563890873.db2.gz MAGAVARQQIFLNK-GHMZBOCLSA-N 1 0 396.289 2.857 20 0 GFADRO C[NH2+]C[C@H](C)CNC(=O)NC1CCN(Cc2ccc(Br)cc2)CC1 ZINC000417891381 563890972 /nfs/dbraw/zinc/89/09/72/563890972.db2.gz OZNJAGMBYJYSMJ-AWEZNQCLSA-N 1 0 397.361 2.568 20 0 GFADRO C[C@@H](CCC[NH3+])NC(=O)NC1CCN(Cc2ccc(Br)cc2)CC1 ZINC000417886762 563891010 /nfs/dbraw/zinc/89/10/10/563891010.db2.gz KHFSBUMIFNQZBY-AWEZNQCLSA-N 1 0 397.361 2.840 20 0 GFADRO CO[C@@H]1CCN(C(=O)NCC(C)(C)c2ccccc2Br)[C@@H](C[NH3+])C1 ZINC000417906618 563891562 /nfs/dbraw/zinc/89/15/62/563891562.db2.gz CIBDVCNOAIIZQO-ZIAGYGMSSA-N 1 0 398.345 2.874 20 0 GFADRO CC[C@H](Cc1ccccc1Br)NC(=O)N1CC[C@H](OC)C[C@@H]1C[NH3+] ZINC000417901301 563891631 /nfs/dbraw/zinc/89/16/31/563891631.db2.gz VKROBYCYJZFXHY-OAGGEKHMSA-N 1 0 398.345 2.918 20 0 GFADRO C[C@H](Cc1cc(Br)ccc1F)NC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000417950010 563892455 /nfs/dbraw/zinc/89/24/55/563892455.db2.gz WYXWCCKRRBYGJE-YRGRVCCFSA-N 1 0 384.293 2.770 20 0 GFADRO CC1(C)COCCN1CC[NH2+]Cc1ccc(F)cc1I ZINC000417966751 563892759 /nfs/dbraw/zinc/89/27/59/563892759.db2.gz MLMMBFGSMODXNG-UHFFFAOYSA-N 1 0 392.256 2.631 20 0 GFADRO O=C(N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1)N[C@H]1C[NH2+]CCC1(F)F ZINC000417975105 563893370 /nfs/dbraw/zinc/89/33/70/563893370.db2.gz AAJBCRRYURHHOR-HZMBPMFUSA-N 1 0 393.265 2.869 20 0 GFADRO CCOC(=O)C1(C[NH2+]Cc2ccc(F)cc2I)CC1 ZINC000417989208 563893454 /nfs/dbraw/zinc/89/34/54/563893454.db2.gz IDJSSIZNVCWUGI-UHFFFAOYSA-N 1 0 377.197 2.863 20 0 GFADRO [NH3+]CC[C@@H](NC(=O)NCCc1c[nH]c2ccc(Br)cc12)C(F)F ZINC000417995788 563894184 /nfs/dbraw/zinc/89/41/84/563894184.db2.gz DICBVNDONIQLEA-CYBMUJFWSA-N 1 0 389.244 2.755 20 0 GFADRO CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000418003505 563894724 /nfs/dbraw/zinc/89/47/24/563894724.db2.gz YKJQDPSCWUAYQM-APYUEPQZSA-N 1 0 384.318 2.952 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCN(C(=O)NCCc2c[nH]c3ccc(Br)cc23)C1 ZINC000418009295 563895222 /nfs/dbraw/zinc/89/52/22/563895222.db2.gz UKHGLJNJVOVKDM-AAEUAGOBSA-N 1 0 379.302 2.852 20 0 GFADRO Cc1cc(Br)cn2cc(CCNC(=O)N[C@H]3CCC[C@@H]([NH3+])C3)nc12 ZINC000418021125 563895461 /nfs/dbraw/zinc/89/54/61/563895461.db2.gz OYHZTHLIIDMUGU-KGLIPLIRSA-N 1 0 394.317 2.517 20 0 GFADRO Cc1cc(Br)cn2cc(CNC(=O)NC[C@@H]3CCC[C@H]([NH3+])C3)nc12 ZINC000418016977 563895517 /nfs/dbraw/zinc/89/55/17/563895517.db2.gz GJZJBDOQFUKREI-OCCSQVGLSA-N 1 0 394.317 2.722 20 0 GFADRO Cc1ccc(NC(=O)C(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)c(Br)c1 ZINC000448319505 563895948 /nfs/dbraw/zinc/89/59/48/563895948.db2.gz QUVFDBKZIFODGN-OAHLLOKOSA-N 1 0 396.329 2.933 20 0 GFADRO CCCOC[C@@H](Cc1cccc(Br)c1)NC(=O)N[C@H]1CCC[NH2+]C1 ZINC000418026416 563896123 /nfs/dbraw/zinc/89/61/23/563896123.db2.gz HEBWPJUBMDYUIO-DLBZAZTESA-N 1 0 398.345 2.838 20 0 GFADRO O=C(N[C@H](c1cc(F)cc(Br)c1)C1CC1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000418051221 563896802 /nfs/dbraw/zinc/89/68/02/563896802.db2.gz XVVOAAAHOYRJKQ-ZENOOKHLSA-N 1 0 382.277 2.900 20 0 GFADRO C[NH2+]CCN(C)C(=O)NCc1cc(Br)ccc1Br ZINC000418047988 563897071 /nfs/dbraw/zinc/89/70/71/563897071.db2.gz RCIUYTZHWYYGBS-UHFFFAOYSA-N 1 0 379.096 2.572 20 0 GFADRO CCn1c(CNC(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)nc2cc(Br)ccc21 ZINC000418067846 563897320 /nfs/dbraw/zinc/89/73/20/563897320.db2.gz PLAZBLJCORPYNJ-CHWSQXEVSA-N 1 0 394.317 2.888 20 0 GFADRO CCn1c(CNC(=O)N2CC[NH2+][C@@H](C)[C@H]2C)nc2cc(Br)ccc21 ZINC000418064106 563897377 /nfs/dbraw/zinc/89/73/77/563897377.db2.gz IWQPEKLSZKSUCS-NWDGAFQWSA-N 1 0 394.317 2.711 20 0 GFADRO C[NH2+]CCNC(=O)N[C@H](Cc1ccccn1)c1ccc(Br)cc1 ZINC000418064159 563897388 /nfs/dbraw/zinc/89/73/88/563897388.db2.gz JSUZYUXBNXJOAF-MRXNPFEDSA-N 1 0 377.286 2.647 20 0 GFADRO CCn1c(CNC(=O)N[C@@H]2CC[NH2+][C@@H](C)C2)nc2cc(Br)ccc21 ZINC000418072760 563897769 /nfs/dbraw/zinc/89/77/69/563897769.db2.gz YCNBBOOZJHGTHC-WCQYABFASA-N 1 0 394.317 2.758 20 0 GFADRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)NCc1cnn(-c2ccc(Br)cc2)c1 ZINC000418087049 563898066 /nfs/dbraw/zinc/89/80/66/563898066.db2.gz FWZSPEJJMFTCKY-CHWSQXEVSA-N 1 0 392.301 2.514 20 0 GFADRO C[C@@H]1[NH2+]CCN(C(=O)NCc2cnn(-c3ccc(Br)cc3)c2)[C@H]1C ZINC000418086527 563898118 /nfs/dbraw/zinc/89/81/18/563898118.db2.gz CWONISYFFYYATP-STQMWFEESA-N 1 0 392.301 2.527 20 0 GFADRO C[C@@H]1CN(C(=O)NCc2cnn(-c3ccc(Br)cc3)c2)[C@H](C)C[NH2+]1 ZINC000418089813 563898557 /nfs/dbraw/zinc/89/85/57/563898557.db2.gz MTSNQCYALZUASA-CHWSQXEVSA-N 1 0 392.301 2.527 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H](NC(=O)N[C@H]2CCN(c3cccc(Br)c3)C2)C1 ZINC000418089187 563898690 /nfs/dbraw/zinc/89/86/90/563898690.db2.gz BFFCVVFZCISCLV-KFWWJZLASA-N 1 0 381.318 2.597 20 0 GFADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)Cc2sccc2Br)C1 ZINC000448609190 563899315 /nfs/dbraw/zinc/89/93/15/563899315.db2.gz ZIOZFLYUORXTQE-GFCCVEGCSA-N 1 0 375.332 2.526 20 0 GFADRO C[C@@H]1CN(Cc2cnn(-c3ccc(Br)cc3)c2)[C@@H](C)C[N@@H+]1CCO ZINC000418114675 563899418 /nfs/dbraw/zinc/89/94/18/563899418.db2.gz OILZGHIRTIPRJR-CABCVRRESA-N 1 0 393.329 2.522 20 0 GFADRO COc1cc(Br)ccc1CNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000418134440 563899964 /nfs/dbraw/zinc/89/99/64/563899964.db2.gz HFHIIFSKQCOLSK-YIONKMFJSA-N 1 0 382.302 2.882 20 0 GFADRO O=C(N[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000418144184 563899992 /nfs/dbraw/zinc/89/99/92/563899992.db2.gz JWUDMRPFMLYRRB-UKPHBRMFSA-N 1 0 383.323 2.538 20 0 GFADRO [NH3+]C1CCN(C(=O)NCc2ccc(I)c(Cl)c2)CC1 ZINC000418168889 563900361 /nfs/dbraw/zinc/90/03/61/563900361.db2.gz XIRACXGWWWNLBS-UHFFFAOYSA-N 1 0 393.656 2.577 20 0 GFADRO COCC[C@@H](NC(=O)N1CCCO[C@@H](C[NH3+])C1)c1ccc(Cl)c(Cl)c1 ZINC000418175723 563900722 /nfs/dbraw/zinc/90/07/22/563900722.db2.gz VSTHIGJBFFVRHH-XJKSGUPXSA-N 1 0 390.311 2.830 20 0 GFADRO CCN1CC[NH+](C[C@H](C)CNC(=O)Cc2cc(Br)ccc2C)CC1 ZINC000448978599 563904537 /nfs/dbraw/zinc/90/45/37/563904537.db2.gz XZEFMKGBCMACQM-OAHLLOKOSA-N 1 0 396.373 2.690 20 0 GFADRO O[C@@H](C[NH2+]Cc1cccc(Br)c1F)COc1ccc2c(c1)OCO2 ZINC000449096413 563906570 /nfs/dbraw/zinc/90/65/70/563906570.db2.gz HJYKGADRZVIXSJ-LBPRGKRZSA-N 1 0 398.228 2.846 20 0 GFADRO C[C@@H](COc1ccc(Cl)c(Cl)c1)[NH2+][C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000449101050 563906810 /nfs/dbraw/zinc/90/68/10/563906810.db2.gz STTNVZQZMNFAPC-NWDGAFQWSA-N 1 0 381.325 2.774 20 0 GFADRO CC[C@H](C[NH2+]Cc1cn(CC(=O)OC)nn1)Cc1cccc(Br)c1 ZINC000449162819 563907395 /nfs/dbraw/zinc/90/73/95/563907395.db2.gz UEIKABHSILCMLZ-ZDUSSCGKSA-N 1 0 395.301 2.572 20 0 GFADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+]C[C@H]1CCCS1 ZINC000449195045 563907719 /nfs/dbraw/zinc/90/77/19/563907719.db2.gz VRZLKYXZIWFESH-BXUZGUMPSA-N 1 0 387.343 2.948 20 0 GFADRO C[C@H](C[NH2+]Cc1cn(C)nc1C(F)(F)F)c1ccc(S(C)(=O)=O)cc1 ZINC000449198999 563907766 /nfs/dbraw/zinc/90/77/66/563907766.db2.gz DWKGECHTEKGFDM-LLVKDONJSA-N 1 0 375.416 2.736 20 0 GFADRO CS(=O)(=O)c1cccc(C[NH2+]CCC2CCN(CC(F)(F)F)CC2)c1 ZINC000449193253 563907953 /nfs/dbraw/zinc/90/79/53/563907953.db2.gz ZOBSCBRYSYPFCW-UHFFFAOYSA-N 1 0 378.460 2.844 20 0 GFADRO CS(=O)(=O)N[C@@H]1CCCC[C@@H]1[NH2+]Cc1cccc(F)c1Br ZINC000449253777 564178055 /nfs/dbraw/zinc/17/80/55/564178055.db2.gz VUVKYCCYUVIUHV-QWHCGFSZSA-N 1 0 379.295 2.538 20 0 GFADRO COCCO[C@@H]1COCC[C@H]1[NH2+][C@H]1CCc2c1ccc(F)c2Br ZINC000449256972 564178137 /nfs/dbraw/zinc/17/81/37/564178137.db2.gz KKTRRTUHZPKLFM-ARFHVFGLSA-N 1 0 388.277 2.986 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+][C@@H]1CC[C@H](OC)C1 ZINC000449277278 564178850 /nfs/dbraw/zinc/17/88/50/564178850.db2.gz VZKMNYKDJYYZFB-GLQYFDAESA-N 1 0 385.302 2.620 20 0 GFADRO Cc1cc(S(=O)(=O)N2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)sc1C ZINC000538004047 564179138 /nfs/dbraw/zinc/17/91/38/564179138.db2.gz HZSKYANJGFFDQF-HOTGVXAUSA-N 1 0 385.599 2.544 20 0 GFADRO Cc1cnc(CNc2cccc(S(=O)(=O)NCCCC[NH+](C)C)c2)s1 ZINC000449315351 564179646 /nfs/dbraw/zinc/17/96/46/564179646.db2.gz HVSUSJVKFKAQJV-UHFFFAOYSA-N 1 0 382.555 2.684 20 0 GFADRO CC(=O)c1cc(Br)ccc1OCC(=O)NCCC[N@@H+](C)C(C)C ZINC000505291236 564180369 /nfs/dbraw/zinc/18/03/69/564180369.db2.gz VROMBJYMEZZGME-UHFFFAOYSA-N 1 0 385.302 2.877 20 0 GFADRO C[C@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]CCn1cc(Br)ccc1=O ZINC000449372749 564181776 /nfs/dbraw/zinc/18/17/76/564181776.db2.gz ADCVRVYDKXYOET-MAUKXSAKSA-N 1 0 390.325 2.721 20 0 GFADRO C[C@@H]1CN(Cc2ncc(I)s2)CC[N@@H+](C2CC2)C1 ZINC000449348345 564181894 /nfs/dbraw/zinc/18/18/94/564181894.db2.gz TZHSQWLPSDFPRS-SNVBAGLBSA-N 1 0 377.295 2.664 20 0 GFADRO O=C(NCCNc1cc[nH+]cc1)N[C@H](c1cncc(Br)c1)C1CC1 ZINC000505379958 564181949 /nfs/dbraw/zinc/18/19/49/564181949.db2.gz OTBXLVHQVOGXMA-INIZCTEOSA-N 1 0 390.285 2.523 20 0 GFADRO C[C@H]1CCc2nc(C[NH2+]CCn3cc(Br)ccc3=O)sc2C1 ZINC000449377124 564183024 /nfs/dbraw/zinc/18/30/24/564183024.db2.gz NZBUQMZQDRACSC-NSHDSACASA-N 1 0 382.327 2.982 20 0 GFADRO CSC[C@@H]([NH2+][C@@H]1CCN(S(C)(=O)=O)C1)c1ccc(C(F)(F)F)cc1 ZINC000563263311 564183676 /nfs/dbraw/zinc/18/36/76/564183676.db2.gz CQKOEOBUCCXTPJ-ZIAGYGMSSA-N 1 0 382.473 2.733 20 0 GFADRO OCCN1CCCC[C@H]1C[NH2+]Cc1cc(Br)ccc1OC(F)F ZINC000449394347 564184072 /nfs/dbraw/zinc/18/40/72/564184072.db2.gz NTZNQMGSZCWMDI-AWEZNQCLSA-N 1 0 393.272 2.987 20 0 GFADRO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]Cc2cc3c(c(Cl)c2)OCO3)c1 ZINC000538199873 564184277 /nfs/dbraw/zinc/18/42/77/564184277.db2.gz JISQRADZVKSBMA-LLVKDONJSA-N 1 0 382.869 2.828 20 0 GFADRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3Cc4cc(Br)ccc4O3)C2)C1 ZINC000505502611 564184382 /nfs/dbraw/zinc/18/43/82/564184382.db2.gz FBZIAKOGSPGUJL-FUHWJXTLSA-N 1 0 379.298 2.697 20 0 GFADRO COCCOC1(C[NH2+]Cc2ccc(Br)cc2OC)CCOCC1 ZINC000449394768 564184784 /nfs/dbraw/zinc/18/47/84/564184784.db2.gz RLFSTXIMBZCYQZ-UHFFFAOYSA-N 1 0 388.302 2.760 20 0 GFADRO COCC[NH2+]C1CCN(C(=O)c2cccc(Br)c2Cl)CC1 ZINC000563335902 564186292 /nfs/dbraw/zinc/18/62/92/564186292.db2.gz CLXCXKLCEPXHRK-UHFFFAOYSA-N 1 0 375.694 2.943 20 0 GFADRO C[C@@H](NC(=O)c1cc[nH]c(=O)c1Br)[C@@H](c1ccccc1)[NH+](C)C ZINC000505597375 564186373 /nfs/dbraw/zinc/18/63/73/564186373.db2.gz SFUUAWWIAZWBES-ABAIWWIYSA-N 1 0 378.270 2.971 20 0 GFADRO COc1cccc(S(=O)(=O)CC[NH2+][C@@H](C)c2ccc([S@@](C)=O)cc2)c1 ZINC000538262794 564186420 /nfs/dbraw/zinc/18/64/20/564186420.db2.gz ILFUBLSCTSTCRL-LFPIHBKWSA-N 1 0 381.519 2.557 20 0 GFADRO Cn1ccnc1N1CC[NH+](CCC(=O)Nc2c(Cl)cccc2Cl)CC1 ZINC000471148781 564187536 /nfs/dbraw/zinc/18/75/36/564187536.db2.gz PUXKDWXIRHUQOO-UHFFFAOYSA-N 1 0 382.295 2.878 20 0 GFADRO Cc1cc(C(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)c(Br)s1 ZINC000471165745 564188212 /nfs/dbraw/zinc/18/82/12/564188212.db2.gz QSOFRSVJUMVKSO-LBPRGKRZSA-N 1 0 375.332 2.906 20 0 GFADRO CC(C)[C@@H]1C[N@H+](C)CCN1CC(=O)N[C@H](C)c1ccc(Br)cc1 ZINC000471190251 564188333 /nfs/dbraw/zinc/18/83/33/564188333.db2.gz GTCFIOLYKOLDBC-PBHICJAKSA-N 1 0 382.346 2.898 20 0 GFADRO OC[C@@H]([C@H]([NH2+]Cc1cn(-c2ccccc2Br)nn1)C1CC1)C1CC1 ZINC000449503142 564189016 /nfs/dbraw/zinc/18/90/16/564189016.db2.gz HMSDAIKUSRFHGE-CRAIPNDOSA-N 1 0 391.313 2.917 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(Cc3ncc(Br)cc3Br)C[C@@H]21 ZINC000449520076 564190322 /nfs/dbraw/zinc/19/03/22/564190322.db2.gz FBISJBDKESBNJB-RNCFNFMXSA-N 1 0 375.108 2.743 20 0 GFADRO CN(C)c1ccncc1C[NH2+]C[C@H](CO)Cc1cc(Br)ccc1F ZINC000449600583 564190919 /nfs/dbraw/zinc/19/09/19/564190919.db2.gz ONHOTBBHVPBLMZ-CYBMUJFWSA-N 1 0 396.304 2.990 20 0 GFADRO COC(=O)c1cc(C[NH2+]C[C@H](CO)Cc2ccc(C)c(Br)c2)c[nH]1 ZINC000449600002 564191259 /nfs/dbraw/zinc/19/12/59/564191259.db2.gz NAPXLGYAYCNGCU-OAHLLOKOSA-N 1 0 395.297 2.813 20 0 GFADRO Cc1c(I)cccc1C(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000471282029 564191443 /nfs/dbraw/zinc/19/14/43/564191443.db2.gz HHSVKOJLDKYTJO-CYBMUJFWSA-N 1 0 384.261 2.908 20 0 GFADRO CC(C)(C)n1cc(C[NH2+]C[C@@H](CO)Cc2cc(Br)ccc2F)nn1 ZINC000449605078 564191974 /nfs/dbraw/zinc/19/19/74/564191974.db2.gz YQOXZZMVJBNPQY-LBPRGKRZSA-N 1 0 399.308 2.876 20 0 GFADRO O=C(NCCNc1cc[nH+]cc1)NCCOCc1ccc(Cl)cc1Cl ZINC000538511854 564192492 /nfs/dbraw/zinc/19/24/92/564192492.db2.gz MTRCACLAIAARTN-UHFFFAOYSA-N 1 0 383.279 2.738 20 0 GFADRO COc1ccc(CNc2cc(N(C)C)c(Br)c[nH+]2)c(OC)c1OC ZINC000449646710 564193055 /nfs/dbraw/zinc/19/30/55/564193055.db2.gz OEYFCQDHEDLQES-UHFFFAOYSA-N 1 0 396.285 3.548 20 0 GFADRO COc1ccc(C[C@H](CO)C[NH2+]Cc2ccncc2F)cc1Br ZINC000449605873 564193338 /nfs/dbraw/zinc/19/33/38/564193338.db2.gz ZXXCGFJMRAEGKX-ZDUSSCGKSA-N 1 0 383.261 2.933 20 0 GFADRO C[C@H]1OCC[C@@H]1[N@H+](CCO)Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000449677312 564194285 /nfs/dbraw/zinc/19/42/85/564194285.db2.gz MHPSPTXZSKAXGY-DYVFJYSZSA-N 1 0 380.286 2.607 20 0 GFADRO C[C@@H](NC(=O)NCC1CC[NH2+]CC1)c1cc2c(cc1Br)OCCO2 ZINC000563550619 564196348 /nfs/dbraw/zinc/19/63/48/564196348.db2.gz YUOOCVMPOGZHDV-LLVKDONJSA-N 1 0 398.301 2.580 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)NCc1ccc(C[S@@](C)=O)cc1)c1cccs1 ZINC000506159084 564197093 /nfs/dbraw/zinc/19/70/93/564197093.db2.gz FBAUDGLXFCHBFH-IVCQMTBJSA-N 1 0 379.551 2.729 20 0 GFADRO CCC[N@H+](CC)C[C@@H](C)Nc1c(F)cc(S(N)(=O)=O)cc1Br ZINC000563578029 564197973 /nfs/dbraw/zinc/19/79/73/564197973.db2.gz KIWOIVHVGJAYRM-SNVBAGLBSA-N 1 0 396.326 2.768 20 0 GFADRO C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000449723145 564198747 /nfs/dbraw/zinc/19/87/47/564198747.db2.gz QTEQDZBYTGLUKS-GMSGAONNSA-N 1 0 386.201 2.508 20 0 GFADRO Cc1cc(C)n(-c2ccc(Cl)c(C(=O)N[C@@H](CC[NH3+])C(F)(F)F)n2)n1 ZINC000449717903 564198872 /nfs/dbraw/zinc/19/88/72/564198872.db2.gz IYFZXFBWSZNVLL-NSHDSACASA-N 1 0 375.782 2.547 20 0 GFADRO CCc1nc(C(=O)N[C@H]2CC[C@H](C[NH3+])C2)nn1-c1c(Cl)cccc1Cl ZINC000449724320 564198908 /nfs/dbraw/zinc/19/89/08/564198908.db2.gz YCPJRHSDBBTVBK-QWRGUYRKSA-N 1 0 382.295 2.994 20 0 GFADRO NC(=O)[C@@H]1CC[C@H]([NH2+]C2CCN(Cc3ccccc3Br)CC2)C1 ZINC000449747399 564199217 /nfs/dbraw/zinc/19/92/17/564199217.db2.gz WPAIKOAYFQHBMG-CJNGLKHVSA-N 1 0 380.330 2.657 20 0 GFADRO Cc1cc(C[N@H+](C)CCOc2ccc(S(N)(=O)=O)cc2F)ccc1Cl ZINC000449757339 564200568 /nfs/dbraw/zinc/20/05/68/564200568.db2.gz SIBPRNNPDUQUKD-UHFFFAOYSA-N 1 0 386.876 2.946 20 0 GFADRO NC(=O)[C@@H]1CC[C@H]([NH2+]Cc2cc(Br)cc(Br)c2)C1 ZINC000449759910 564200733 /nfs/dbraw/zinc/20/07/33/564200733.db2.gz ZTFUVENXLBZBAW-SKDRFNHKSA-N 1 0 376.092 2.955 20 0 GFADRO C[N@H+](CCOc1ccc(S(N)(=O)=O)cc1F)Cc1ccc(Cl)c(F)c1 ZINC000449754131 564200884 /nfs/dbraw/zinc/20/08/84/564200884.db2.gz KPRWBHWBIARNOP-UHFFFAOYSA-N 1 0 390.839 2.776 20 0 GFADRO CC[NH+](CC)CC(=O)NCc1ccc(I)c(Cl)c1 ZINC000506349586 564201526 /nfs/dbraw/zinc/20/15/26/564201526.db2.gz WKLXAFMZUAADDI-UHFFFAOYSA-N 1 0 380.657 2.903 20 0 GFADRO CS(=O)(=O)[C@@H]1CCC[C@@H]([NH2+]Cc2nc3c(cccc3Br)[nH]2)C1 ZINC000449773993 564201648 /nfs/dbraw/zinc/20/16/48/564201648.db2.gz NYOSCJHUQOQXHK-GHMZBOCLSA-N 1 0 386.315 2.771 20 0 GFADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[N@@H+]1CC[C@H](CCCO)C1 ZINC000449788191 564201677 /nfs/dbraw/zinc/20/16/77/564201677.db2.gz DBLUVAKFPDVXMP-KGLIPLIRSA-N 1 0 399.329 2.557 20 0 GFADRO O=S(=O)(N[C@@H]1C[NH2+]C[C@H]1c1ccccc1)c1cccc(Br)c1F ZINC000563674709 564202567 /nfs/dbraw/zinc/20/25/67/564202567.db2.gz XYTYEZMNNXPTAS-GXTWGEPZSA-N 1 0 399.285 2.622 20 0 GFADRO O[C@@H](C[NH2+]C[C@@H]1COc2ccccc21)COc1cccc(Br)c1 ZINC000563706092 564203016 /nfs/dbraw/zinc/20/30/16/564203016.db2.gz JNPSTGWLKRWCID-HIFRSBDPSA-N 1 0 378.266 2.955 20 0 GFADRO CC[NH+]1C[C@@H](C)N(C(=O)c2c(F)cccc2I)[C@H](C)C1 ZINC000563746426 564204912 /nfs/dbraw/zinc/20/49/12/564204912.db2.gz GGHVUVOMDBGIGU-GHMZBOCLSA-N 1 0 390.240 2.985 20 0 GFADRO C[C@@H]1[C@H](C)N(C(=O)CNC(=O)c2sc3ccccc3c2Cl)CC[N@H+]1C ZINC000538952835 564206841 /nfs/dbraw/zinc/20/68/41/564206841.db2.gz BHQQRZQCKAVMOR-NEPJUHHUSA-N 1 0 379.913 2.836 20 0 GFADRO CN(CCCN1CC[NH+](C)CC1)C(=O)[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000449858300 564206932 /nfs/dbraw/zinc/20/69/32/564206932.db2.gz UNRXCADTUJBQAK-ZWKOTPCHSA-N 1 0 394.357 2.649 20 0 GFADRO C[C@@H](CNC(=O)C(=O)NCc1cccc(Cl)c1Cl)[N@@H+]1CCC[C@H](C)C1 ZINC000563800082 564207459 /nfs/dbraw/zinc/20/74/59/564207459.db2.gz HVURSZLEEPUICD-STQMWFEESA-N 1 0 386.323 2.846 20 0 GFADRO Cc1ccc(CC(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)c(Br)c1 ZINC000449896787 564208025 /nfs/dbraw/zinc/20/80/25/564208025.db2.gz LIIFIFPAEZNUSB-OAHLLOKOSA-N 1 0 395.341 2.917 20 0 GFADRO CC(C)[NH+](CCN(C)C(=O)Nc1cc(Br)cn(C)c1=O)C(C)C ZINC000506717830 564209929 /nfs/dbraw/zinc/20/99/29/564209929.db2.gz JWWSYASRMMQYFY-UHFFFAOYSA-N 1 0 387.322 2.730 20 0 GFADRO C[C@@H](C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1ccc(Cl)c(Cl)c1 ZINC000471991643 564210243 /nfs/dbraw/zinc/21/02/43/564210243.db2.gz JTGBUYHEZRUNHA-OCCSQVGLSA-N 1 0 386.323 2.801 20 0 GFADRO C[C@H](C[C@H](C)[NH3+])NS(=O)(=O)c1cccc(COCC(F)(F)C(F)F)c1 ZINC000563886615 564211835 /nfs/dbraw/zinc/21/18/35/564211835.db2.gz RHALGFHENAFVBQ-WDEREUQCSA-N 1 0 386.411 2.508 20 0 GFADRO C[C@H](C[C@H]1CCCO1)[NH2+]CCS(=O)(=O)c1cccc(Br)c1 ZINC000563952667 564214749 /nfs/dbraw/zinc/21/47/49/564214749.db2.gz PCQJHAZDHHMADT-TZMCWYRMSA-N 1 0 376.316 2.770 20 0 GFADRO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)[C@H]2Cc3cc(Br)ccc3O2)C1 ZINC000472257064 564218110 /nfs/dbraw/zinc/21/81/10/564218110.db2.gz LXXDSLCAFBVXLX-RDTXWAMCSA-N 1 0 393.325 2.943 20 0 GFADRO O=C(NCCCCn1cc(Br)cn1)N1CC[NH+](C2CCCC2)CC1 ZINC000472312334 564220172 /nfs/dbraw/zinc/22/01/72/564220172.db2.gz DNBCYOSJGQUYFI-UHFFFAOYSA-N 1 0 398.349 2.696 20 0 GFADRO CS[C@@H]1CN(CC(=O)Nc2nc(-c3ccccc3)cs2)C[C@H]1[NH+](C)C ZINC000539472441 564220982 /nfs/dbraw/zinc/22/09/82/564220982.db2.gz MCTBHBKKSDALBN-HZPDHXFCSA-N 1 0 376.551 2.726 20 0 GFADRO CC(C)[NH+]1CCC(O)(CNC(=O)[C@H]2C[C@H]2c2ccc(Br)cc2)CC1 ZINC000472408074 564222944 /nfs/dbraw/zinc/22/29/44/564222944.db2.gz FKRSWWJVEFPJAO-IRXDYDNUSA-N 1 0 395.341 2.904 20 0 GFADRO Cc1ccc(Br)cc1C[N@@H+]1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000450241120 564224082 /nfs/dbraw/zinc/22/40/82/564224082.db2.gz IDKAICWBWWUFOH-OAHLLOKOSA-N 1 0 381.314 2.828 20 0 GFADRO C[C@H](CNc1cc(Br)cnc1C(N)=O)[N@@H+]1CCc2sccc2C1 ZINC000472493686 564224480 /nfs/dbraw/zinc/22/44/80/564224480.db2.gz DSTKHXJNIIKTEF-SNVBAGLBSA-N 1 0 395.326 2.863 20 0 GFADRO C[C@H]([NH2+]C[C@H]1CCCCN1S(C)(=O)=O)c1ccccc1Br ZINC000507274885 564224616 /nfs/dbraw/zinc/22/46/16/564224616.db2.gz ADXOLWGQTUFLOP-QWHCGFSZSA-N 1 0 375.332 2.914 20 0 GFADRO Cc1cc(S(=O)(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)c(C)cc1Br ZINC000564211041 564224842 /nfs/dbraw/zinc/22/48/42/564224842.db2.gz NULBPUPSIGUGKQ-INIZCTEOSA-N 1 0 387.343 2.830 20 0 GFADRO Cn1ccnc1[C@H](NC(=O)C(=O)Nc1ccc(F)cc1Br)C1CC1 ZINC000507443596 564229100 /nfs/dbraw/zinc/22/91/00/564229100.db2.gz MUSBDCCMZFNWAL-CYBMUJFWSA-N 1 0 395.232 2.528 20 0 GFADRO Cc1c(Br)cccc1NC(=O)C(=O)N[C@H](c1nccn1C)C1CC1 ZINC000507425921 564229286 /nfs/dbraw/zinc/22/92/86/564229286.db2.gz GFELMRSVIPBSDO-AWEZNQCLSA-N 1 0 391.269 2.697 20 0 GFADRO O=C(CC[NH2+]C1CC1)NCC1(c2ccc(Br)cc2)CCOCC1 ZINC000564469635 564234513 /nfs/dbraw/zinc/23/45/13/564234513.db2.gz FXMHMJWPLULZHT-UHFFFAOYSA-N 1 0 381.314 2.756 20 0 GFADRO Cc1ccc(NC(=O)C(=O)N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)c(Br)c1 ZINC000507666015 564237657 /nfs/dbraw/zinc/23/76/57/564237657.db2.gz GGMOOTSYMKUYDW-UONOGXRCSA-N 1 0 394.313 2.781 20 0 GFADRO CS[C@@H]1CN(C(=O)C[C@@H]2CSc3ccccc3O2)C[C@@H]1[NH+]1CCCC1 ZINC000450577606 564239817 /nfs/dbraw/zinc/23/98/17/564239817.db2.gz HECOKXOJWSAYRY-RVKKMQEKSA-N 1 0 378.563 2.968 20 0 GFADRO Cc1ccc(OC[C@H](O)C[NH2+]CCCCn2cc(Br)cn2)cc1 ZINC000564561505 564239909 /nfs/dbraw/zinc/23/99/09/564239909.db2.gz BLKQETKVVCGNMD-MRXNPFEDSA-N 1 0 382.302 2.764 20 0 GFADRO Cc1c2cc(Br)ccc2oc1C(=O)NC[C@](C)(O)CC[NH+](C)C ZINC000473263505 564242323 /nfs/dbraw/zinc/24/23/23/564242323.db2.gz OKGGMAFNGLJIOT-QGZVFWFLSA-N 1 0 383.286 2.936 20 0 GFADRO C[NH+](C)CC[C@@](C)(O)CNC(=O)CCCOc1cccc(Cl)c1Cl ZINC000473250507 564242668 /nfs/dbraw/zinc/24/26/68/564242668.db2.gz OKDQBFDGFURDAY-QGZVFWFLSA-N 1 0 377.312 2.971 20 0 GFADRO CS(=O)(=O)CC1(C[NH2+][C@@H]2CCc3c2cc(Br)cc3F)CC1 ZINC000540219945 564242972 /nfs/dbraw/zinc/24/29/72/564242972.db2.gz NTUZWQFWSLPPFW-CQSZACIVSA-N 1 0 376.291 2.990 20 0 GFADRO O=S(=O)(c1cc(F)ccc1OC(F)F)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000564654601 564243861 /nfs/dbraw/zinc/24/38/61/564243861.db2.gz ABLGIQDTKVAVHI-CYBMUJFWSA-N 1 0 378.416 2.580 20 0 GFADRO CC(=O)N[C@H](CC(=O)Nc1nc(C2CC[NH2+]CC2)cs1)c1cccs1 ZINC000564650742 564243966 /nfs/dbraw/zinc/24/39/66/564243966.db2.gz QKHDPTWLUMGMJN-CYBMUJFWSA-N 1 0 378.523 2.878 20 0 GFADRO C[C@@H](NC(=O)C1(c2c(Cl)cccc2Cl)CCC1)C(=O)NCC[NH+](C)C ZINC000564668469 564244764 /nfs/dbraw/zinc/24/47/64/564244764.db2.gz VOUHFTARDSHRKQ-GFCCVEGCSA-N 1 0 386.323 2.598 20 0 GFADRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)NCc2cccc(Cl)c2Cl)C1 ZINC000564673848 564244794 /nfs/dbraw/zinc/24/47/94/564244794.db2.gz YCACJCWEFRYWCC-UKRRQHHQSA-N 1 0 384.307 2.552 20 0 GFADRO Cn1c(-c2ccccc2Br)nnc1N1CC[NH+](CC2CC2)CC1 ZINC000507855441 564245221 /nfs/dbraw/zinc/24/52/21/564245221.db2.gz GMRQAXYARBQPSJ-UHFFFAOYSA-N 1 0 376.302 2.777 20 0 GFADRO O[C@@H](C[NH2+][C@H](c1ccc(Br)cc1)C1CCC1)CN1CCOCC1 ZINC000540380217 564247146 /nfs/dbraw/zinc/24/71/46/564247146.db2.gz MNCUAHCKDDJLNW-ROUUACIJSA-N 1 0 383.330 2.573 20 0 GFADRO Cc1csc(C(=O)N[C@@H](C)[C@H]2CCC[NH2+]C2)c1I ZINC000564837582 564251433 /nfs/dbraw/zinc/25/14/33/564251433.db2.gz VSVPTRBPPYIQDZ-UWVGGRQHSA-N 1 0 378.279 2.779 20 0 GFADRO C[C@@H](NC(=O)c1cn(-c2ccc(Br)cc2)cn1)[C@@H]1CCC[NH2+]C1 ZINC000564837490 564251828 /nfs/dbraw/zinc/25/18/28/564251828.db2.gz PUKWIYVVRWMIPE-CHWSQXEVSA-N 1 0 377.286 2.753 20 0 GFADRO CS(=O)(=O)CC1(C[NH2+]C[C@@H](O)COc2cc(Cl)ccc2Cl)CCC1 ZINC000564859533 564253440 /nfs/dbraw/zinc/25/34/40/564253440.db2.gz YWENLVDKHUCNRN-CYBMUJFWSA-N 1 0 396.336 2.538 20 0 GFADRO O=C(NCCCCC[NH+]1CCCC1)c1cncc(I)c1 ZINC000508107832 564254580 /nfs/dbraw/zinc/25/45/80/564254580.db2.gz YRAVHTGBKUIVGI-UHFFFAOYSA-N 1 0 387.265 2.682 20 0 GFADRO O=S1(=O)CCO[C@H](C[NH2+][C@@H]2CCC[C@@H]2c2ccc(C(F)(F)F)cc2)C1 ZINC000540705987 564254916 /nfs/dbraw/zinc/25/49/16/564254916.db2.gz ABUZJZODUFWGTB-BZUAXINKSA-N 1 0 377.428 2.745 20 0 GFADRO C[NH+]1CCC(C)(CNC(=O)NCc2cn3cc(Br)ccc3n2)CC1 ZINC000508152351 564256615 /nfs/dbraw/zinc/25/66/15/564256615.db2.gz TZWPKAIDJONJKJ-UHFFFAOYSA-N 1 0 394.317 2.628 20 0 GFADRO CS[C@@H]1CN(C(=O)c2cc(C)n(-c3cccc(Cl)c3)n2)C[C@H]1[NH+](C)C ZINC000540805425 564256747 /nfs/dbraw/zinc/25/67/47/564256747.db2.gz IQPCKVXZPNYYPQ-IAGOWNOFSA-N 1 0 378.929 2.952 20 0 GFADRO O=C1N[C@]2(CCC[NH2+]C2)C(=O)N1CC/C=C/c1ccc(Br)cc1 ZINC000564925722 564258231 /nfs/dbraw/zinc/25/82/31/564258231.db2.gz GFSNKIZIDRVOFN-XMUUHYKESA-N 1 0 378.270 2.526 20 0 GFADRO C[C@@]1(CNC(=O)c2[nH]nc(-c3ccccc3)c2Br)CCC[NH2+]C1 ZINC000564950806 564258715 /nfs/dbraw/zinc/25/87/15/564258715.db2.gz QKJNWAOLZBKUHN-QGZVFWFLSA-N 1 0 377.286 2.959 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)CNC(=O)c2sc3ccccc3c2Cl)CC[N@@H+]1C ZINC000474109031 564265122 /nfs/dbraw/zinc/26/51/22/564265122.db2.gz WTLXJPSYCBQTOY-VXGBXAGGSA-N 1 0 379.913 2.883 20 0 GFADRO CCC[C@H](C)[C@@H](CO)[NH2+][C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000565089896 564265716 /nfs/dbraw/zinc/26/57/16/564265716.db2.gz UZKOADYVPRHQGR-COPLHBTASA-N 1 0 393.347 2.544 20 0 GFADRO Cc1c(Br)cccc1S(=O)(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000474119556 564266191 /nfs/dbraw/zinc/26/61/91/564266191.db2.gz VJKGZCKOIJQXLJ-CYBMUJFWSA-N 1 0 375.332 2.720 20 0 GFADRO CC(C)[N@H+](C)CCCNC(=O)c1cc(I)ccc1F ZINC000474162449 564267407 /nfs/dbraw/zinc/26/74/07/564267407.db2.gz YIRPQZOZGGALDA-UHFFFAOYSA-N 1 0 378.229 2.890 20 0 GFADRO C[C@@H]1COCC[N@@H+]1C1CCN(Cc2cc3c(c(Br)c2)OCO3)CC1 ZINC000565171590 564269986 /nfs/dbraw/zinc/26/99/86/564269986.db2.gz LHMDNGUKGKKQPX-CYBMUJFWSA-N 1 0 397.313 2.863 20 0 GFADRO C[NH+](C)[C@]1(CNC(=O)NCCOc2ncc(Cl)cc2Cl)CCSC1 ZINC000474258040 564272162 /nfs/dbraw/zinc/27/21/62/564272162.db2.gz JFCBZPIHIRHFTG-HNNXBMFYSA-N 1 0 393.340 2.504 20 0 GFADRO COCCN1CC[C@H]([NH2+][C@@H]2CCCN(c3ccc(Cl)cc3Cl)C2=O)C1 ZINC000474426824 564277834 /nfs/dbraw/zinc/27/78/34/564277834.db2.gz LSHLDGFCWMZAJS-GOEBONIOSA-N 1 0 386.323 2.799 20 0 GFADRO C[C@H](CNC(=O)NCC[N@H+]1CC=CCC1)Oc1ccc(Br)cc1 ZINC000474436144 564278696 /nfs/dbraw/zinc/27/86/96/564278696.db2.gz DNEZWMVHDARBCR-CQSZACIVSA-N 1 0 382.302 2.778 20 0 GFADRO CNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(C)(c2cccc(Br)c2)CC1 ZINC000509052807 564279645 /nfs/dbraw/zinc/27/96/45/564279645.db2.gz FSLKKMXXDUGRMJ-GFCCVEGCSA-N 1 0 382.302 2.647 20 0 GFADRO O=S(=O)(c1ccccc1OC(F)(F)F)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000565412691 564280188 /nfs/dbraw/zinc/28/01/88/564280188.db2.gz LDYXCOVOHFGBIZ-QWHCGFSZSA-N 1 0 378.416 2.738 20 0 GFADRO Cc1ccc(C[C@@H](CO)CNC(=O)C23CCC[NH+]2CCC3)cc1Br ZINC000565523971 564284755 /nfs/dbraw/zinc/28/47/55/564284755.db2.gz LNASYMQZKFYBTN-MRXNPFEDSA-N 1 0 395.341 2.653 20 0 GFADRO CCN(C(=O)[C@H](C)[NH2+][C@H](CC(C)C)c1cccs1)[C@H]1CCS(=O)(=O)C1 ZINC000541626332 564284932 /nfs/dbraw/zinc/28/49/32/564284932.db2.gz BJYCFQNLBWBTAD-HRCADAONSA-N 1 0 386.583 2.849 20 0 GFADRO CSC[C@@H](O)C[N@@H+]1CC[C@@H](Cc2cccc(I)c2)C1 ZINC000451196169 564285459 /nfs/dbraw/zinc/28/54/59/564285459.db2.gz VUGNOAVCKFUHKX-ZFWWWQNUSA-N 1 0 391.318 2.880 20 0 GFADRO CNC(=O)C1CCC([NH2+]C[C@@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000565534692 564285752 /nfs/dbraw/zinc/28/57/52/564285752.db2.gz GSEOVSRDNMJVAW-WXRRBKDZSA-N 1 0 375.296 2.628 20 0 GFADRO CN(C(=O)c1cc(I)ccc1F)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000474698526 564286689 /nfs/dbraw/zinc/28/66/89/564286689.db2.gz PQTONKWXDBTXEW-GFCCVEGCSA-N 1 0 388.224 2.739 20 0 GFADRO Fc1ccc(I)c(F)c1CN[C@H]1CC[N@@H+](C2CC2)C1 ZINC000474729241 564287531 /nfs/dbraw/zinc/28/75/31/564287531.db2.gz OYUTXACDDZUWSU-VIFPVBQESA-N 1 0 378.204 2.896 20 0 GFADRO Cc1ccc(Br)cc1C(=O)NC(C)(C)CC[NH+]1CCN(C)CC1 ZINC000474817391 564289956 /nfs/dbraw/zinc/28/99/56/564289956.db2.gz OAZGBNQBAPTPEX-UHFFFAOYSA-N 1 0 382.346 2.903 20 0 GFADRO C[C@@H]1CC[N@H+](CCNC(=O)c2ccc(I)cc2F)C1 ZINC000565698237 564291698 /nfs/dbraw/zinc/29/16/98/564291698.db2.gz PSHMCDQMDXODLD-SNVBAGLBSA-N 1 0 376.213 2.502 20 0 GFADRO Cc1cc(Br)cn2cc(CNC(=O)N[C@@H]3CC[N@H+](C)[C@@H](C)C3)nc12 ZINC000541841675 564291753 /nfs/dbraw/zinc/29/17/53/564291753.db2.gz ANPHVMYAISTPBH-GXTWGEPZSA-N 1 0 394.317 2.687 20 0 GFADRO CC(C)(C[NH2+]CC1(O)CCS(=O)(=O)CC1)c1c(Cl)cccc1Cl ZINC000565712557 564292577 /nfs/dbraw/zinc/29/25/77/564292577.db2.gz RTOCGSMBEOWZIM-UHFFFAOYSA-N 1 0 380.337 2.800 20 0 GFADRO CO[C@H](CS(=O)(=O)NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1)C1CC1 ZINC000565713694 564292588 /nfs/dbraw/zinc/29/25/88/564292588.db2.gz JRDCAXNBKFHWAC-DLBZAZTESA-N 1 0 386.583 2.866 20 0 GFADRO CC[C@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(CC)CC)c1 ZINC000565717046 564292777 /nfs/dbraw/zinc/29/27/77/564292777.db2.gz PSKHSWQGIASGQK-DZGCQCFKSA-N 1 0 387.933 2.697 20 0 GFADRO C[C@@H](CCc1ccc(I)cc1)[NH2+]CCCOCCO ZINC000474924832 564293572 /nfs/dbraw/zinc/29/35/72/564293572.db2.gz JGWNEXZMSLMWJB-ZDUSSCGKSA-N 1 0 377.266 2.601 20 0 GFADRO C[C@@H]([NH2+][C@@H](CCO)c1ccccc1Br)C1CCS(=O)(=O)CC1 ZINC000474947452 564295063 /nfs/dbraw/zinc/29/50/63/564295063.db2.gz PNQLFBGBPDRHBM-WBMJQRKESA-N 1 0 390.343 2.676 20 0 GFADRO CC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)Cc2ccc(Br)c(F)c2)C1 ZINC000451280498 564295210 /nfs/dbraw/zinc/29/52/10/564295210.db2.gz GVEGBQKCCLZHJQ-ZDUSSCGKSA-N 1 0 393.322 2.692 20 0 GFADRO O[C@H](COc1cc(Cl)ccc1Cl)C[N@@H+]1C[C@H](O)C[C@H]1[C@@H]1CCCOC1 ZINC000451294094 564297072 /nfs/dbraw/zinc/29/70/72/564297072.db2.gz BQBFLHSZXNIGDK-UTXMOHQDSA-N 1 0 390.307 2.595 20 0 GFADRO COCc1ccc(C[NH2+]CCNS(=O)(=O)c2ccc(F)cc2Cl)cc1 ZINC000509408657 564297322 /nfs/dbraw/zinc/29/73/22/564297322.db2.gz AUFSCRSEFQEDFG-UHFFFAOYSA-N 1 0 386.876 2.694 20 0 GFADRO Fc1ccc(Br)c(C[NH2+]CCc2nnnn2-c2ccccc2)c1 ZINC000509428531 564298662 /nfs/dbraw/zinc/29/86/62/564298662.db2.gz GPSBJTPKQVCROB-UHFFFAOYSA-N 1 0 376.233 2.896 20 0 GFADRO Cn1ncc(Br)c1C(=O)Nc1cccc2c1OCC[C@H]2[NH+](C)C ZINC000451303281 564298856 /nfs/dbraw/zinc/29/88/56/564298856.db2.gz QMWTUYFGMONASI-CYBMUJFWSA-N 1 0 379.258 2.820 20 0 GFADRO O=C(N[C@@H]1CCOc2c(Br)cccc21)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000565881931 564300535 /nfs/dbraw/zinc/30/05/35/564300535.db2.gz RZWMMVFCECYXHL-YWPYICTPSA-N 1 0 380.286 2.524 20 0 GFADRO COC(=O)[C@@H]1CC[N@H+](Cc2ccc(Br)cc2N2CCOCC2)[C@@H]1C ZINC000475126928 564300570 /nfs/dbraw/zinc/30/05/70/564300570.db2.gz AGUOMGVDPVQVIX-CZUORRHYSA-N 1 0 397.313 2.669 20 0 GFADRO NC(=O)[C@H](C[NH2+]C1CCN(CC(F)(F)F)CC1)Cc1ccccc1Cl ZINC000509480266 564301508 /nfs/dbraw/zinc/30/15/08/564301508.db2.gz PZKINKIFKHPLOJ-ZDUSSCGKSA-N 1 0 377.838 2.600 20 0 GFADRO C[C@@H]([NH2+]CCC(=O)Nc1cccc(Cl)c1)c1cccc(S(N)(=O)=O)c1 ZINC000542134711 564302161 /nfs/dbraw/zinc/30/21/61/564302161.db2.gz NBTLNDZKCAIWOG-GFCCVEGCSA-N 1 0 381.885 2.667 20 0 GFADRO C[C@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1cccc(Br)c1F ZINC000542175336 564303038 /nfs/dbraw/zinc/30/30/38/564303038.db2.gz PRLBTXIWRWMZCG-NSHDSACASA-N 1 0 379.295 2.741 20 0 GFADRO C[C@@H]1CN(C(=O)[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)[C@@H](C)C[N@@H+]1C ZINC000509656656 564308068 /nfs/dbraw/zinc/30/80/68/564308068.db2.gz JHBLXKRWEQHLAN-MBNYWOFBSA-N 1 0 384.307 2.897 20 0 GFADRO CO[C@@H]1CCN(C(=O)[C@@H](C)Cc2ccc(F)c(Br)c2)[C@H](C[NH3+])C1 ZINC000566099209 564309268 /nfs/dbraw/zinc/30/92/68/564309268.db2.gz XYHNQQNZYQPWFA-FPMFFAJLSA-N 1 0 387.293 2.732 20 0 GFADRO Cc1cc(NC(=O)CC[NH2+]CCc2cc(Cl)ccc2Br)no1 ZINC000566115411 564310811 /nfs/dbraw/zinc/31/08/11/564310811.db2.gz PNMIYWFMRDVVQE-UHFFFAOYSA-N 1 0 386.677 3.560 20 0 GFADRO CC[C@@H](C)N(C)CC[NH2+]C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000566110636 564310845 /nfs/dbraw/zinc/31/08/45/564310845.db2.gz NTWOIFSXAVEXOT-DOMZBBRYSA-N 1 0 377.298 2.648 20 0 GFADRO O[C@H](C[NH2+]C1CCN(Cc2cc(Cl)cc(Cl)c2)CC1)Cn1cccn1 ZINC000566132534 564311450 /nfs/dbraw/zinc/31/14/50/564311450.db2.gz XZVSCEYAXCROMR-GOSISDBHSA-N 1 0 383.323 2.805 20 0 GFADRO COCCCOc1ccc(Cl)cc1S(=O)(=O)NCC(C)(C)C[NH+](C)C ZINC000475537504 564311574 /nfs/dbraw/zinc/31/15/74/564311574.db2.gz GVTBUCCUASPNIH-UHFFFAOYSA-N 1 0 392.949 2.621 20 0 GFADRO Cc1cc(Br)cc(NC(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)[C@@H]2C)c1 ZINC000509769235 564312904 /nfs/dbraw/zinc/31/29/04/564312904.db2.gz BYFPPCGABJPYGT-BBRMVZONSA-N 1 0 394.313 2.781 20 0 GFADRO COC[C@@H]([NH2+]CC(=O)N(C)CCOc1ccc(Br)cc1)C(C)C ZINC000542525627 564316842 /nfs/dbraw/zinc/31/68/42/564316842.db2.gz PFQBWAIUDOIMTL-MRXNPFEDSA-N 1 0 387.318 2.547 20 0 GFADRO [NH3+][C@@H]1CCC[C@H](CNC(=O)[C@@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)C1 ZINC000566212558 564317000 /nfs/dbraw/zinc/31/70/00/564317000.db2.gz UICPHGYMAQQHSS-YUTCNCBUSA-N 1 0 384.307 2.980 20 0 GFADRO CO[C@H]1C[C@H]([NH2+]CC(=O)Nc2ccccc2I)C1(C)C ZINC000451487848 564318972 /nfs/dbraw/zinc/31/89/72/564318972.db2.gz FYKMCNLHJMSIRL-STQMWFEESA-N 1 0 388.249 2.633 20 0 GFADRO CC[N@@H+]1CCCC[C@@H]1CNS(=O)(=O)c1ccc(Br)cc1F ZINC000475772101 564319484 /nfs/dbraw/zinc/31/94/84/564319484.db2.gz PWFQYSQTFYAGDM-GFCCVEGCSA-N 1 0 379.295 2.741 20 0 GFADRO CC(C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000566246581 564319519 /nfs/dbraw/zinc/31/95/19/564319519.db2.gz DHNXSJDJSJUXAV-MRXNPFEDSA-N 1 0 386.323 2.989 20 0 GFADRO O=C(NCCOc1ncc(Cl)cc1Cl)[C@@]1(c2ccccc2)CC[NH2+]C1 ZINC000566296011 564321915 /nfs/dbraw/zinc/32/19/15/564321915.db2.gz MDTUEBAILXUNTA-SFHVURJKSA-N 1 0 380.275 2.815 20 0 GFADRO COC(=O)C[C@H]1CSCC[N@@H+]1C[C@H](O)COc1c(Cl)cccc1Cl ZINC000475880547 564323897 /nfs/dbraw/zinc/32/38/97/564323897.db2.gz LOHCFGGVZIRXSK-RYUDHWBXSA-N 1 0 394.320 2.714 20 0 GFADRO CS[C@@H]1CN(C(=O)COc2ccc(Br)cc2)C[C@@H]1[NH+]1CCCC1 ZINC000542768642 564325876 /nfs/dbraw/zinc/32/58/76/564325876.db2.gz KDODGYOUIFACQW-JKSUJKDBSA-N 1 0 399.354 2.866 20 0 GFADRO Cc1c(Br)cccc1CNC(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000566434709 564327437 /nfs/dbraw/zinc/32/74/37/564327437.db2.gz GFPYALADFXHJRO-ZDUSSCGKSA-N 1 0 398.345 2.744 20 0 GFADRO CCn1c(SC[C@H](O)C[N@H+](C)CCOC)nnc1-c1cccc(Cl)c1 ZINC000566480739 564328904 /nfs/dbraw/zinc/32/89/04/564328904.db2.gz BZFICLVXFGQIIX-OAHLLOKOSA-N 1 0 384.933 2.650 20 0 GFADRO CSC[C@@H]([NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1)c1ccc(C(F)(F)F)cc1 ZINC000542850541 564328944 /nfs/dbraw/zinc/32/89/44/564328944.db2.gz YVVQQMLKTZESFW-SWLSCSKDSA-N 1 0 396.500 2.981 20 0 GFADRO COC(=O)[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)NCCc1cccc(Cl)c1Cl ZINC000451588589 564329321 /nfs/dbraw/zinc/32/93/21/564329321.db2.gz RDPOVFDUTQJCAZ-HIFRSBDPSA-N 1 0 387.307 2.974 20 0 GFADRO CC[C@H](C)[NH2+][C@H](CNS(=O)(=O)c1ccsc1C(=O)OC)c1ccco1 ZINC000510371536 564330993 /nfs/dbraw/zinc/33/09/93/564330993.db2.gz BJWRBINFNFEENH-NWDGAFQWSA-N 1 0 386.495 2.535 20 0 GFADRO C[C@H](Oc1ccc(Cl)cc1Br)C(=O)N1CCNC[C@H]1C(F)F ZINC000566556536 564331625 /nfs/dbraw/zinc/33/16/25/564331625.db2.gz RIWZFBXDXOAYIW-KWQFWETISA-N 1 0 397.647 2.935 20 0 GFADRO O=C(C[NH2+][C@H]([C@H](CO)C1CC1)C1CC1)Nc1ccc(Br)cc1F ZINC000451618024 564331905 /nfs/dbraw/zinc/33/19/05/564331905.db2.gz YWDSYJZJGGQHME-DYVFJYSZSA-N 1 0 385.277 2.913 20 0 GFADRO CC[C@@H](C)[NH2+][C@H](CNS(=O)(=O)c1csc(C(=O)OC)c1)c1ccco1 ZINC000510392934 564332217 /nfs/dbraw/zinc/33/22/17/564332217.db2.gz FUVBRPVQFYXVLV-DGCLKSJQSA-N 1 0 386.495 2.535 20 0 GFADRO CC(C)C[NH+]1CCC(NC(=O)C(=O)NCc2c(Cl)cccc2Cl)CC1 ZINC000566575096 564332258 /nfs/dbraw/zinc/33/22/58/564332258.db2.gz RCFMMLJWIYXGTG-UHFFFAOYSA-N 1 0 386.323 2.846 20 0 GFADRO O=C1[C@H]([NH2+][C@@H]([C@@H](CO)C2CC2)C2CC2)CCN1c1cccc(Br)c1 ZINC000451614006 564332366 /nfs/dbraw/zinc/33/23/66/564332366.db2.gz OEDGBYGMXRJNKZ-RCCFBDPRSA-N 1 0 393.325 2.941 20 0 GFADRO CN(CCC[NH+]1CCCC1)C(=O)c1ccc(I)cc1F ZINC000451626553 564333027 /nfs/dbraw/zinc/33/30/27/564333027.db2.gz FKYWYXQJGRNMJG-UHFFFAOYSA-N 1 0 390.240 2.988 20 0 GFADRO COc1ccc(CN2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)c(Br)c1O ZINC000566592670 564333657 /nfs/dbraw/zinc/33/36/57/564333657.db2.gz UYQMSNFZRSACTK-IIAWOOMASA-N 1 0 399.329 2.847 20 0 GFADRO Cc1cc(Br)cn2c(C[NH2+]C[C@H]3CC(=O)N(C4CC4)C3)cnc12 ZINC000566625012 564335226 /nfs/dbraw/zinc/33/52/26/564335226.db2.gz GACHLBZDSLDINO-GFCCVEGCSA-N 1 0 377.286 2.506 20 0 GFADRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1S(=O)(=O)c1ccc(Br)s1 ZINC000510503458 564336552 /nfs/dbraw/zinc/33/65/52/564336552.db2.gz UEWLEAIIQYPLPL-GHMZBOCLSA-N 1 0 379.345 2.758 20 0 GFADRO Cc1ccc(C(=O)N(CCC[NH+](C)C)[C@H]2CCS(=O)(=O)C2)c(Cl)c1C ZINC000543102463 564337521 /nfs/dbraw/zinc/33/75/21/564337521.db2.gz OZJHJWKHUHFEQE-HNNXBMFYSA-N 1 0 386.945 2.538 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)C2(c3cccc(Br)c3)CC(=O)C2)CC[N@@H+]1C ZINC000566744628 564341215 /nfs/dbraw/zinc/34/12/15/564341215.db2.gz FKCIXLJULRIWAC-DOMZBBRYSA-N 1 0 379.298 2.649 20 0 GFADRO O[C@H](COc1ccc(Br)cc1)C[N@@H+]1CC[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC000451718278 564343357 /nfs/dbraw/zinc/34/33/57/564343357.db2.gz WFJQYKGLVJANPR-SRABZTEZSA-N 1 0 384.314 2.672 20 0 GFADRO CC(C)[NH+]1CCC(NC(=O)CN(C#N)c2ccc(F)c(Br)c2)CC1 ZINC000476535009 564344379 /nfs/dbraw/zinc/34/43/79/564344379.db2.gz NZAZUKXLOJHBKY-UHFFFAOYSA-N 1 0 397.292 2.865 20 0 GFADRO CS(=O)(=O)N[C@@H]1CCCC[C@@H]1[NH2+]CCOc1ccccc1C(F)(F)F ZINC000510761930 564346478 /nfs/dbraw/zinc/34/64/78/564346478.db2.gz JCDMSCBSWRRPHO-UONOGXRCSA-N 1 0 380.432 2.534 20 0 GFADRO O[C@@H](C[NH2+]CCOC1CCCC1)COc1cc(F)cc(Br)c1 ZINC000566909407 564348715 /nfs/dbraw/zinc/34/87/15/564348715.db2.gz FJLJNVFTOXVSQR-AWEZNQCLSA-N 1 0 376.266 2.877 20 0 GFADRO Cc1nn(C)c(S(=O)(=O)N(C)CC[N@H+](C)C2CCCCC2)c1C(F)F ZINC000566902468 564349124 /nfs/dbraw/zinc/34/91/24/564349124.db2.gz AMXWFYZKMFLTDN-UHFFFAOYSA-N 1 0 378.489 2.551 20 0 GFADRO C[C@@H]1C[N@H+](C(C)(C)CNC(=O)Cc2cccc(Br)c2)C[C@H](C)O1 ZINC000510909617 564349413 /nfs/dbraw/zinc/34/94/13/564349413.db2.gz BPMVQAFHROIVDS-OKILXGFUSA-N 1 0 383.330 2.996 20 0 GFADRO Cc1nc2ccc(Br)cn2c1C(=O)NCC[N@H+]1CC=C(C)CC1 ZINC000476688118 564351343 /nfs/dbraw/zinc/35/13/43/564351343.db2.gz NZUUVZJJIAEZOJ-UHFFFAOYSA-N 1 0 377.286 2.787 20 0 GFADRO CS(=O)(=O)C[C@@H]([NH2+][C@H]1CCN(c2ccc(Cl)cc2Cl)C1)C1CC1 ZINC000566964354 564351653 /nfs/dbraw/zinc/35/16/53/564351653.db2.gz CQXSTCCMMMCLJB-DZGCQCFKSA-N 1 0 377.337 2.985 20 0 GFADRO CCOC[C@H]1CCC[C@@H]1[NH2+]CCNS(=O)(=O)c1ccc(F)cc1Cl ZINC000510978034 564352105 /nfs/dbraw/zinc/35/21/05/564352105.db2.gz KPCYDIDXTCFWME-DOMZBBRYSA-N 1 0 378.897 2.552 20 0 GFADRO C[N@@H+]1CC[C@H]2OCCN(C(=O)COc3c(Cl)cc(Cl)cc3Cl)[C@@H]2C1 ZINC000451799619 564353027 /nfs/dbraw/zinc/35/30/27/564353027.db2.gz HDBVQJRDIARBPL-ZIAGYGMSSA-N 1 0 393.698 2.957 20 0 GFADRO CCO[C@@H]1C[C@H]([NH2+]CCNS(=O)(=O)c2ccc(F)cc2Cl)C1(C)C ZINC000511021161 564353961 /nfs/dbraw/zinc/35/39/61/564353961.db2.gz YLHGQLIATKTJCI-LSDHHAIUSA-N 1 0 378.897 2.551 20 0 GFADRO C[C@@H](O)C[N@@H+]1CCN(C(=O)CCOc2ccc(Cl)c(Cl)c2)[C@@H](C)C1 ZINC000476823276 564354521 /nfs/dbraw/zinc/35/45/21/564354521.db2.gz GNWMQPGMPLWUOG-QWHCGFSZSA-N 1 0 375.296 2.676 20 0 GFADRO C[C@H]([NH2+]CCCOC(F)F)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000511053892 564354653 /nfs/dbraw/zinc/35/46/53/564354653.db2.gz HIDINFWFWZNHLW-ZETCQYMHSA-N 1 0 377.240 2.921 20 0 GFADRO C[C@@H](CCn1cccn1)[NH2+]CCOc1ccc(I)cc1 ZINC000511036376 564354671 /nfs/dbraw/zinc/35/46/71/564354671.db2.gz FSWVQNWAYFMIDC-ZDUSSCGKSA-N 1 0 385.249 2.935 20 0 GFADRO CC[NH+](CC)CC[C@H](CO)NC(=O)CCc1ccc(C)cc1Br ZINC000567061384 564355434 /nfs/dbraw/zinc/35/54/34/564355434.db2.gz VHODMHUELZFXHI-MRXNPFEDSA-N 1 0 385.346 2.899 20 0 GFADRO C[C@H]([NH2+][C@H]1COCC1(C)C)C(=O)Nc1cccc(I)c1 ZINC000451822898 564356335 /nfs/dbraw/zinc/35/63/35/564356335.db2.gz JAUDURZBOSDHRZ-GWCFXTLKSA-N 1 0 388.249 2.633 20 0 GFADRO CC[NH+](CC)CCOCCNC(=O)NCc1cc(Br)cs1 ZINC000543640418 564357196 /nfs/dbraw/zinc/35/71/96/564357196.db2.gz GFKXLCXJXKUWRA-UHFFFAOYSA-N 1 0 378.336 2.668 20 0 GFADRO CC(C)[N@H+](C)C[C@@H](C)NC(=O)c1ccc(I)cc1F ZINC000451865444 564360414 /nfs/dbraw/zinc/36/04/14/564360414.db2.gz KTTAFCCNOSJNOD-SNVBAGLBSA-N 1 0 378.229 2.889 20 0 GFADRO C[C@H](NC(=O)c1cccc(F)c1I)C1=CC[N@H+](C)CC1 ZINC000543754662 564362777 /nfs/dbraw/zinc/36/27/77/564362777.db2.gz SZYUZBFWCOFGFC-JTQLQIEISA-N 1 0 388.224 2.811 20 0 GFADRO CN(Cc1cc(Br)cs1)C(=O)C[N@@H+]1CCC[C@@]2(CCOC2)C1 ZINC000451895095 564363400 /nfs/dbraw/zinc/36/34/00/564363400.db2.gz DLKQUTMEZRPGGF-MRXNPFEDSA-N 1 0 387.343 2.972 20 0 GFADRO CCCS(=O)(=O)N1CCC([NH2+][C@H](C)c2cncc(Br)c2)CC1 ZINC000567292209 564364713 /nfs/dbraw/zinc/36/47/13/564364713.db2.gz IPOREXQSFKIOHS-GFCCVEGCSA-N 1 0 390.347 2.699 20 0 GFADRO CS[C@@H]1CN(S(=O)(=O)c2cc(C)c(F)cc2Cl)C[C@@H]1[NH+]1CCCC1 ZINC000477117733 564365529 /nfs/dbraw/zinc/36/55/29/564365529.db2.gz JLYYJFYKPVMQSB-LSDHHAIUSA-N 1 0 392.949 2.988 20 0 GFADRO CS[C@@H]1CN(S(=O)(=O)Cc2ccc(F)c(Cl)c2)C[C@@H]1[NH+]1CCCC1 ZINC000477138910 564366164 /nfs/dbraw/zinc/36/61/64/564366164.db2.gz PXHVZYFNPKCGNM-JKSUJKDBSA-N 1 0 392.949 2.821 20 0 GFADRO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)[C@@H]2CC(=O)Nc3ccc(Br)cc32)C1 ZINC000567322280 564366224 /nfs/dbraw/zinc/36/62/24/564366224.db2.gz VKSHDTPKYUKYPI-XFJVYGCCSA-N 1 0 394.313 2.720 20 0 GFADRO O=C(CN(CCC(F)(F)F)CC(F)(F)F)NC1CC[NH+](C2CC2)CC1 ZINC000567321379 564366263 /nfs/dbraw/zinc/36/62/63/564366263.db2.gz RSOYFDAUHHQIPR-UHFFFAOYSA-N 1 0 375.357 2.546 20 0 GFADRO C[C@H](c1ccccc1Br)N1CC[NH+]([C@H]2CCNC(=O)CC2)CC1 ZINC000451919071 564366647 /nfs/dbraw/zinc/36/66/47/564366647.db2.gz RMBNJPYWBQTEQG-HUUCEWRRSA-N 1 0 380.330 2.796 20 0 GFADRO C[C@H]1C[C@H](C)C[NH+](CCCNS(=O)(=O)c2ccc(C(F)(F)F)nc2)C1 ZINC000543897590 564367667 /nfs/dbraw/zinc/36/76/67/564367667.db2.gz NPBNCRBRGPSMEK-STQMWFEESA-N 1 0 379.448 2.747 20 0 GFADRO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)N1CCO[C@]2(CCSC2)C1 ZINC000567380543 564368691 /nfs/dbraw/zinc/36/86/91/564368691.db2.gz DAEWPFZNPIJPMB-CRAIPNDOSA-N 1 0 381.567 2.803 20 0 GFADRO O=S1(=O)CCC[C@@H]1C[NH2+]Cc1cccc(Br)c1OC(F)F ZINC000567369003 564368771 /nfs/dbraw/zinc/36/87/71/564368771.db2.gz MOOQVDMMLSVMKZ-SNVBAGLBSA-N 1 0 384.242 2.717 20 0 GFADRO C[C@H](CC[NH3+])NC(=O)c1cccc(Br)c1I ZINC000477190110 564369060 /nfs/dbraw/zinc/36/90/60/564369060.db2.gz RRZLZHSJMQCKIQ-SSDOTTSWSA-N 1 0 397.054 2.521 20 0 GFADRO CC[N@H+](C)C[C@H]1CCN(Cc2cn(-c3ccccc3Br)nn2)C1 ZINC000567408458 564370293 /nfs/dbraw/zinc/37/02/93/564370293.db2.gz PCFTVTYEQZAJIF-CQSZACIVSA-N 1 0 378.318 2.803 20 0 GFADRO CC[NH+](CC)CCN(Cc1cccs1)S(=O)(=O)c1cncc(OC)c1 ZINC000543994849 564370437 /nfs/dbraw/zinc/37/04/37/564370437.db2.gz GEZKULAFCAQXLH-UHFFFAOYSA-N 1 0 383.539 2.684 20 0 GFADRO C[C@H](C[NH+]1CCOCC1)C(=O)N1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000544022891 564371257 /nfs/dbraw/zinc/37/12/57/564371257.db2.gz GIWOXCYXUFWQCJ-UKRRQHHQSA-N 1 0 387.307 2.941 20 0 GFADRO CN(C)S(=O)(=O)c1ccc(OCC[N@@H+]2CCC[C@]3(CCSC3)C2)cc1 ZINC000451964696 564373506 /nfs/dbraw/zinc/37/35/06/564373506.db2.gz KSINPFGKXCHLNY-SFHVURJKSA-N 1 0 384.567 2.535 20 0 GFADRO COCCNC(=O)[C@H]1CC[C@H](C)[N@H+](Cc2cc(OC)ccc2Br)C1 ZINC000511477077 564373768 /nfs/dbraw/zinc/37/37/68/564373768.db2.gz JUXOHXSFZCUVEW-KBPBESRZSA-N 1 0 399.329 2.821 20 0 GFADRO Cn1ccnc1Sc1ncc(C(=O)N[C@@H]2CC[NH2+]CC2(C)C)cc1Cl ZINC000567501144 564374799 /nfs/dbraw/zinc/37/47/99/564374799.db2.gz DRZDRNMKAHFCTE-CYBMUJFWSA-N 1 0 379.917 2.738 20 0 GFADRO C[C@@H]1CCCC[C@H]1NC(=O)C[NH2+][C@@](C)(CO)c1ccc(Br)cc1 ZINC000511558077 564375205 /nfs/dbraw/zinc/37/52/05/564375205.db2.gz WDNGUNSIEPJXMA-QBIMZIAESA-N 1 0 383.330 2.941 20 0 GFADRO C[C@@H]1CCCC[C@@H]1NC(=O)C[NH2+][C@@](C)(CO)c1ccc(Br)cc1 ZINC000511558081 564375257 /nfs/dbraw/zinc/37/52/57/564375257.db2.gz WDNGUNSIEPJXMA-SKDZVZGDSA-N 1 0 383.330 2.941 20 0 GFADRO CN(C(=O)C[NH2+][C@](C)(CO)c1ccc(Br)cc1)c1ccccc1 ZINC000511606429 564377952 /nfs/dbraw/zinc/37/79/52/564377952.db2.gz NBYNQINHKYKQBK-GOSISDBHSA-N 1 0 377.282 2.909 20 0 GFADRO C[NH+](C)CCCOc1ccc(CNS(=O)(=O)CCc2cccs2)cc1 ZINC000477536260 564379994 /nfs/dbraw/zinc/37/99/94/564379994.db2.gz NPKULDWVLKGFQQ-UHFFFAOYSA-N 1 0 382.551 2.741 20 0 GFADRO C[C@H](CNC(=O)c1cc(F)ccc1I)C[NH+]1CCCC1 ZINC000511771795 564380982 /nfs/dbraw/zinc/38/09/82/564380982.db2.gz PJHMEUPUWBVGIS-LLVKDONJSA-N 1 0 390.240 2.892 20 0 GFADRO CC(C)[N@@H+]1CCC[C@@H](NS(=O)(=O)c2cccc(Br)c2F)C1 ZINC000544347631 564383113 /nfs/dbraw/zinc/38/31/13/564383113.db2.gz NTJCHRMPASSUFW-LLVKDONJSA-N 1 0 379.295 2.739 20 0 GFADRO O=S(=O)(CC[NH2+][C@@H]1CCO[C@H](C2CC2)C1)c1cccc(Br)c1 ZINC000567710120 564384491 /nfs/dbraw/zinc/38/44/91/564384491.db2.gz GCFKVLVVBOYTET-ZBFHGGJFSA-N 1 0 388.327 2.770 20 0 GFADRO CCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@@H](CO)c1cccc(Br)c1 ZINC000511911917 564384809 /nfs/dbraw/zinc/38/48/09/564384809.db2.gz WXVXMFJJYKRNTI-HOTGVXAUSA-N 1 0 384.318 2.656 20 0 GFADRO CCN(CC)[C@H](C)C[NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000567726475 564385095 /nfs/dbraw/zinc/38/50/95/564385095.db2.gz GEIKBEBFFVMWMO-IUODEOHRSA-N 1 0 377.298 2.648 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]1C1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000567734625 564386278 /nfs/dbraw/zinc/38/62/78/564386278.db2.gz RNFOPJNNDPPYNC-HIFRSBDPSA-N 1 0 379.309 2.510 20 0 GFADRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1ccc(F)c(I)c1 ZINC000477780729 564387567 /nfs/dbraw/zinc/38/75/67/564387567.db2.gz RCLHIJCHXFYLTN-LKFCYVNXSA-N 1 0 388.224 2.643 20 0 GFADRO CC(C)(C[NH+]1CCCC1)NS(=O)(=O)c1c(F)cccc1OC(F)(F)F ZINC000452083341 564390039 /nfs/dbraw/zinc/39/00/39/564390039.db2.gz HAEVRNDWWKIJKY-UHFFFAOYSA-N 1 0 384.395 2.877 20 0 GFADRO Cc1ccc(Br)c(S(=O)(=O)NC(C)(C)C[NH+]2CCCC2)c1 ZINC000452089708 564390366 /nfs/dbraw/zinc/39/03/66/564390366.db2.gz TZXZVUYKJCKHEE-UHFFFAOYSA-N 1 0 375.332 2.910 20 0 GFADRO COc1cccc(OC)c1C[NH2+]CCNC(=O)c1cccc(Br)c1 ZINC000512040310 564390484 /nfs/dbraw/zinc/39/04/84/564390484.db2.gz OTTOSTWMZWEQAB-UHFFFAOYSA-N 1 0 393.281 2.986 20 0 GFADRO CCOCCOC[C@H](O)C[NH2+][C@@H]1CCCOc2ccc(Br)cc21 ZINC000477937567 564390536 /nfs/dbraw/zinc/39/05/36/564390536.db2.gz ZXYZTSJWTZVFAW-GDBMZVCRSA-N 1 0 388.302 2.666 20 0 GFADRO Ic1cnc(C[NH2+]CCCOCC2CCOCC2)s1 ZINC000512036258 564390600 /nfs/dbraw/zinc/39/06/00/564390600.db2.gz GEBPDVJUYCXFQQ-UHFFFAOYSA-N 1 0 396.294 2.671 20 0 GFADRO CC(C)(CN1CCCC1)[NH2+]CCS(=O)(=O)c1cccc(Br)c1 ZINC000452098416 564391547 /nfs/dbraw/zinc/39/15/47/564391547.db2.gz TXFZYWIZWVTFHP-UHFFFAOYSA-N 1 0 389.359 2.687 20 0 GFADRO OC[C@H](C[NH2+]Cc1ncc(I)s1)Cc1ccccc1 ZINC000512084024 564391825 /nfs/dbraw/zinc/39/18/25/564391825.db2.gz NNMZUVJRDNDFDH-LBPRGKRZSA-N 1 0 388.274 2.689 20 0 GFADRO CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N[C@H](CC[NH3+])C(F)F ZINC000567849353 564392446 /nfs/dbraw/zinc/39/24/46/564392446.db2.gz WABOTQWEOVNEMW-KGLIPLIRSA-N 1 0 375.847 2.583 20 0 GFADRO C[C@H]1CSC[C@H]1[NH2+]CC(=O)Nc1cccc(I)c1 ZINC000512214141 564394863 /nfs/dbraw/zinc/39/48/63/564394863.db2.gz UWCKGCUKJAQBQR-JOYOIKCWSA-N 1 0 376.263 2.571 20 0 GFADRO C[C@H]1CC[N@H+](CCNC(=O)c2ncc(Br)cc2Br)C1 ZINC000544744884 564397358 /nfs/dbraw/zinc/39/73/58/564397358.db2.gz ZPNWDLXRDNLPOH-VIFPVBQESA-N 1 0 391.107 2.678 20 0 GFADRO C[C@H]1CN(C(=O)COc2ccc(Br)cc2F)CC[N@@H+](C2CC2)C1 ZINC000452168868 564397928 /nfs/dbraw/zinc/39/79/28/564397928.db2.gz FWDXBNULAIACNQ-GFCCVEGCSA-N 1 0 385.277 2.910 20 0 GFADRO C[NH+](C)CC1CCN(C(=O)CCCS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000512306712 564397886 /nfs/dbraw/zinc/39/78/86/564397886.db2.gz RXQORGWZSUTKDN-UHFFFAOYSA-N 1 0 386.945 2.694 20 0 GFADRO COC(=O)c1cc(Br)cc(C(=O)N2CC[N@@H+](C3CC3)C[C@H](C)C2)c1 ZINC000452178515 564398195 /nfs/dbraw/zinc/39/81/95/564398195.db2.gz ZSCCUOQOJPLCJB-LBPRGKRZSA-N 1 0 395.297 2.792 20 0 GFADRO [NH3+]CCc1nc(C(=O)NC[C@@H](c2ccccc2Cl)N2CCCC2)cs1 ZINC000567968192 564398995 /nfs/dbraw/zinc/39/89/95/564398995.db2.gz KZFPRSXUUOXWSJ-INIZCTEOSA-N 1 0 378.929 2.865 20 0 GFADRO C[NH+](C)C[C@@H]1CCN(S(=O)(=O)c2cc(Br)sc2Cl)C1 ZINC000512404558 564400765 /nfs/dbraw/zinc/40/07/65/564400765.db2.gz HJPACVFFFOMCLD-QMMMGPOBSA-N 1 0 387.752 2.736 20 0 GFADRO Cc1ccc([C@@H](CNC(=O)Nc2ccncc2Br)[NH+](C)C)cc1 ZINC000512501642 564404264 /nfs/dbraw/zinc/40/42/64/564404264.db2.gz NFEKJGAYMRJDMQ-MRXNPFEDSA-N 1 0 377.286 2.999 20 0 GFADRO C[N@H+](CC(=O)NCCc1cccc(OCC(F)(F)F)c1)[C@H]1CCSC1 ZINC000478529176 564405596 /nfs/dbraw/zinc/40/55/96/564405596.db2.gz LAUXFNKFTRQIPY-AWEZNQCLSA-N 1 0 376.444 2.724 20 0 GFADRO CCn1c(CNC(=O)N[C@H](C)CC[NH+](C)C)nc2cc(Br)ccc21 ZINC000478526588 564405747 /nfs/dbraw/zinc/40/57/47/564405747.db2.gz KOAWKRYTZHFWCI-GFCCVEGCSA-N 1 0 396.333 2.958 20 0 GFADRO O=C(NC[C@@H]1CCC[N@H+]1CCCO)c1ccc(Br)c(Cl)c1F ZINC000452348396 564406508 /nfs/dbraw/zinc/40/65/08/564406508.db2.gz ADYCKNZMXXYYOF-JTQLQIEISA-N 1 0 393.684 2.818 20 0 GFADRO CC[C@@H](C)NS(=O)(=O)c1cccc(NCc2ncc(CN(C)C)s2)c1 ZINC000512664179 564407635 /nfs/dbraw/zinc/40/76/35/564407635.db2.gz XNDMKHCDBAUFFI-CYBMUJFWSA-N 1 0 382.555 2.894 20 0 GFADRO C[C@@H](Oc1ccc(Cl)c(Cl)c1)C(=O)NC[C@@H]1CCC[N@@H+]1CCCO ZINC000452350496 564407697 /nfs/dbraw/zinc/40/76/97/564407697.db2.gz OMPXBYLGXMIZHN-OLZOCXBDSA-N 1 0 375.296 2.724 20 0 GFADRO O=C(c1scnc1C(F)(F)F)N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000568197232 564408072 /nfs/dbraw/zinc/40/80/72/564408072.db2.gz ZQORULAGAGGJIQ-LBPRGKRZSA-N 1 0 377.432 2.879 20 0 GFADRO O=C(CCC(=O)c1cc(Cl)sc1Cl)NC[C@@H]1CCC[N@H+]1CCCO ZINC000452356756 564408160 /nfs/dbraw/zinc/40/81/60/564408160.db2.gz DGURCGWMWNRUSB-NSHDSACASA-N 1 0 393.336 2.981 20 0 GFADRO O=C(NC[C@H]1CCC[N@H+]1CCCO)c1ccc(Br)cc1Cl ZINC000452350894 564408309 /nfs/dbraw/zinc/40/83/09/564408309.db2.gz PCXKUIXAIOVPNZ-GFCCVEGCSA-N 1 0 375.694 2.679 20 0 GFADRO Cc1ccc(CCC(=O)NC[C@@H]2CCC[N@@H+]2CCCO)c(Br)c1 ZINC000452367649 564408940 /nfs/dbraw/zinc/40/89/40/564408940.db2.gz PWHGCHKGVYWEIY-INIZCTEOSA-N 1 0 383.330 2.653 20 0 GFADRO CCn1c(CNC(=O)NCC[N@H+](C)C2CC2)nc2cc(Br)ccc21 ZINC000478631270 564410035 /nfs/dbraw/zinc/41/00/35/564410035.db2.gz KEXPBMSKXSDPOM-UHFFFAOYSA-N 1 0 394.317 2.712 20 0 GFADRO CC[C@H](Cc1cccc(Br)c1)C(=O)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000452386340 564410958 /nfs/dbraw/zinc/41/09/58/564410958.db2.gz WYAGFGAKAYWZIN-AEFFLSMTSA-N 1 0 397.357 2.981 20 0 GFADRO C[N@@H+]1CC[C@@](O)(CNCc2cnc(-c3ccc(Br)cc3)s2)C1 ZINC000545166778 564411224 /nfs/dbraw/zinc/41/12/24/564411224.db2.gz DUFCGPTXXXEKNP-MRXNPFEDSA-N 1 0 382.327 2.729 20 0 GFADRO O=C(N[C@@H]1CCC[N@@H+](CCCO)C1)c1cc2c(Br)cccc2cn1 ZINC000452388214 564412486 /nfs/dbraw/zinc/41/24/86/564412486.db2.gz XFMCVXGQICXSSK-CQSZACIVSA-N 1 0 392.297 2.574 20 0 GFADRO O=C(NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1scnc1C(F)(F)F ZINC000568291938 564413250 /nfs/dbraw/zinc/41/32/50/564413250.db2.gz YOEKKULWQIVJDE-RYUDHWBXSA-N 1 0 377.432 2.660 20 0 GFADRO COc1ccc2nc(C[NH2+]C[C@@H]3CCCC[C@@H]3NS(C)(=O)=O)sc2c1 ZINC000512855361 564413886 /nfs/dbraw/zinc/41/38/86/564413886.db2.gz GRMLNZBAEPJCRG-JSGCOSHPSA-N 1 0 383.539 2.503 20 0 GFADRO C[C@@H]1CCC[C@@H]1[NH2+]CCCNS(=O)(=O)c1ccccc1Br ZINC000512868435 564414831 /nfs/dbraw/zinc/41/48/31/564414831.db2.gz CRDCEGHIIPYKIC-OCCSQVGLSA-N 1 0 375.332 2.896 20 0 GFADRO Cc1ccc(C[NH2+]CCCNS(=O)(=O)c2ccccc2Br)cn1 ZINC000512858815 564414906 /nfs/dbraw/zinc/41/49/06/564414906.db2.gz ZHCJBJKTOWJUMG-UHFFFAOYSA-N 1 0 398.326 2.611 20 0 GFADRO C[C@@H]([NH3+])C[C@H](C)NC(=O)NCC1(c2ccc(Br)cc2)CCOCC1 ZINC000568388115 564416680 /nfs/dbraw/zinc/41/66/80/564416680.db2.gz FQKNNIOTDPIYKV-KGLIPLIRSA-N 1 0 398.345 2.922 20 0 GFADRO NC(=O)[C@H]([NH2+]CC[C@H]1COc2ccccc2O1)c1cccc(Br)c1 ZINC000478881277 564417452 /nfs/dbraw/zinc/41/74/52/564417452.db2.gz CTEOTEYLMXCEGS-WMLDXEAASA-N 1 0 391.265 2.795 20 0 GFADRO NC(=O)[C@H]([NH2+]CCc1ccn(-c2ccccc2)n1)c1cccc(Br)c1 ZINC000478937530 564419547 /nfs/dbraw/zinc/41/95/47/564419547.db2.gz HQMUNASTLJPRMQ-GOSISDBHSA-N 1 0 399.292 2.994 20 0 GFADRO C[C@@H](C(F)(F)F)S(=O)(=O)N(C)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000545364758 564419762 /nfs/dbraw/zinc/41/97/62/564419762.db2.gz UFPUUFAKJSJKKI-ZDUSSCGKSA-N 1 0 380.432 2.878 20 0 GFADRO Cc1ccc(C[NH2+][C@@H]2CCCN(S(=O)(=O)C3CC3)C2)c(Br)c1 ZINC000513095708 564419915 /nfs/dbraw/zinc/41/99/15/564419915.db2.gz PTIYHIRZOUFKRU-CQSZACIVSA-N 1 0 387.343 2.804 20 0 GFADRO COC(=O)C[C@](C)([NH2+]C[C@@H](O)CSC)c1ccc(Br)cc1 ZINC000513122046 564421055 /nfs/dbraw/zinc/42/10/55/564421055.db2.gz LDCJLWIQVFESJY-HIFRSBDPSA-N 1 0 376.316 2.541 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)C(=O)Nc2ccc(Cl)cc2Br)CC[N@@H+]1C ZINC000479035688 564423347 /nfs/dbraw/zinc/42/33/47/564423347.db2.gz SIFGBRQLVSZIAP-MWLCHTKSSA-N 1 0 388.693 2.640 20 0 GFADRO C/C(=C/c1ccc(Cl)cc1)C[NH2+]C[C@@H]1CCCCN1S(=O)(=O)N(C)C ZINC000568555337 564424254 /nfs/dbraw/zinc/42/42/54/564424254.db2.gz BFLQNOJSSOOXGN-NZHZHZHDSA-N 1 0 385.961 2.994 20 0 GFADRO CN1C(=O)C[C@H](C(=O)NCCCC[NH+](C)C)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000479061091 564424303 /nfs/dbraw/zinc/42/43/03/564424303.db2.gz BUPZQAHVLLQHRW-GUYCJALGSA-N 1 0 386.323 2.971 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000568627031 564427621 /nfs/dbraw/zinc/42/76/21/564427621.db2.gz UYZYYMBKCVEZET-BZNIZROVSA-N 1 0 377.286 2.671 20 0 GFADRO CCOC(=O)[C@@H](Cc1cc(Cl)cc(Cl)c1)NC(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000479207696 564431163 /nfs/dbraw/zinc/43/11/63/564431163.db2.gz JPYLGYUOHCKKDN-DETPVDSQSA-N 1 0 387.307 2.972 20 0 GFADRO CC(C)[C@@H](CNC(=O)N[C@H](C)c1ncc(Br)cn1)[NH+]1CCCC1 ZINC000568727268 564431319 /nfs/dbraw/zinc/43/13/19/564431319.db2.gz ZCTKSISAOPXLJN-TZMCWYRMSA-N 1 0 384.322 2.720 20 0 GFADRO C[NH+](C)CCOCCNC(=O)NCCc1c[nH]c2cc(Cl)cc(Cl)c12 ZINC000479215431 564431935 /nfs/dbraw/zinc/43/19/35/564431935.db2.gz WPMDEUNVUQXSIA-UHFFFAOYSA-N 1 0 387.311 2.895 20 0 GFADRO CN(Cc1cnn(-c2ccc(Br)cc2)c1)C1CC[NH+](CCO)CC1 ZINC000513578942 564432965 /nfs/dbraw/zinc/43/29/65/564432965.db2.gz SDIYJKNTNYPKBM-UHFFFAOYSA-N 1 0 393.329 2.523 20 0 GFADRO CC[NH+](CC)[C@H]1CCN(C(=O)COc2ccc(Br)cc2C(C)=O)C1 ZINC000513616935 564434638 /nfs/dbraw/zinc/43/46/38/564434638.db2.gz JCYXQQVVINUTEW-HNNXBMFYSA-N 1 0 397.313 2.973 20 0 GFADRO CC(C)NS(=O)(=O)CC[NH2+][C@@H](c1cccc(OC(F)(F)F)c1)C1CC1 ZINC000513690835 564435955 /nfs/dbraw/zinc/43/59/55/564435955.db2.gz MYWXZYIBVMRJPQ-OAHLLOKOSA-N 1 0 380.432 2.954 20 0 GFADRO C[C@H](CCC[NH3+])NC(=O)c1cnn(-c2ncccc2Cl)c1C(F)(F)F ZINC000568882469 564438733 /nfs/dbraw/zinc/43/87/33/564438733.db2.gz YCPVUNLVILKQDN-SECBINFHSA-N 1 0 375.782 2.797 20 0 GFADRO C[NH+](C)Cc1ccc(C(=O)NCC(=O)Nc2cccc(Br)c2)cc1 ZINC000479406269 564438841 /nfs/dbraw/zinc/43/88/41/564438841.db2.gz JGKBZDNYNUISKS-UHFFFAOYSA-N 1 0 390.281 2.879 20 0 GFADRO Cc1c(Br)cccc1CNC(=O)N1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000568901429 564439825 /nfs/dbraw/zinc/43/98/25/564439825.db2.gz WMLZPWYGAWMNAE-HNNXBMFYSA-N 1 0 396.329 2.654 20 0 GFADRO C[C@H]([NH2+]CC1(CO)CCCC1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000479433564 564440007 /nfs/dbraw/zinc/44/00/07/564440007.db2.gz ABPWBXQEUSUYBC-JTQLQIEISA-N 1 0 381.325 2.844 20 0 GFADRO CC[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000568967323 564442436 /nfs/dbraw/zinc/44/24/36/564442436.db2.gz RDGMWXXSJDRXPG-SWLSCSKDSA-N 1 0 386.323 2.628 20 0 GFADRO CCC[C@H]1C[NH2+]CCN1C(=O)c1ccc(S(=O)(=O)c2ccccc2)s1 ZINC000568983861 564443490 /nfs/dbraw/zinc/44/34/90/564443490.db2.gz GDXLSMATTGGZAZ-AWEZNQCLSA-N 1 0 378.519 2.795 20 0 GFADRO COCC[C@@H](Cc1cccc(Br)c1)C(=O)N[C@@H](CC[NH3+])C(F)F ZINC000568999841 564444371 /nfs/dbraw/zinc/44/43/71/564444371.db2.gz VETMQUNFKVAMQV-JSGCOSHPSA-N 1 0 393.272 2.743 20 0 GFADRO O=C1NC2(CCCC2)C(=O)N1CC[NH2+]Cc1ccc(F)c(Br)c1 ZINC000479604610 564445653 /nfs/dbraw/zinc/44/56/53/564445653.db2.gz VTKPPWWWWKUANB-UHFFFAOYSA-N 1 0 384.249 2.542 20 0 GFADRO C[C@H]([NH2+]CCCC(=O)N(C)C)c1ccc(F)c(I)c1 ZINC000453082971 564445724 /nfs/dbraw/zinc/44/57/24/564445724.db2.gz JCXYXMJTFIPDKI-JTQLQIEISA-N 1 0 378.229 2.949 20 0 GFADRO CS(=O)(=O)N1CC[C@@H](C[NH2+]C2(c3cccc(Br)c3)CCC2)C1 ZINC000514118444 564445983 /nfs/dbraw/zinc/44/59/83/564445983.db2.gz JBVGQRPAFLVSSB-ZDUSSCGKSA-N 1 0 387.343 2.699 20 0 GFADRO C[C@@H]([NH2+]CCCC(=O)N(C)C)c1ccc(F)c(I)c1 ZINC000453082972 564446029 /nfs/dbraw/zinc/44/60/29/564446029.db2.gz JCXYXMJTFIPDKI-SNVBAGLBSA-N 1 0 378.229 2.949 20 0 GFADRO CS(=O)(=O)N1CC[C@H](C[N@@H+]2CC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)C1 ZINC000514119484 564446062 /nfs/dbraw/zinc/44/60/62/564446062.db2.gz VXMNWDLZVWRESV-TZMCWYRMSA-N 1 0 393.336 2.728 20 0 GFADRO C[C@H]1CCC[N@H+](CCNC(=O)NCCOc2ccc(Br)cc2)C1 ZINC000514210668 564447666 /nfs/dbraw/zinc/44/76/66/564447666.db2.gz HZPWMYFMVVNBBI-AWEZNQCLSA-N 1 0 384.318 2.859 20 0 GFADRO CN(C)C(=O)[C@@H]1CC[C@@H](C[NH2+][C@@H](Cc2ccccc2Br)C2CC2)O1 ZINC000453159786 564448974 /nfs/dbraw/zinc/44/89/74/564448974.db2.gz FYZYXOMYSDNIMZ-SZMVWBNQSA-N 1 0 395.341 2.996 20 0 GFADRO C[C@H]([NH2+]C[C@]1(O)CCO[C@H]1C)c1ccc(F)c(I)c1 ZINC000453223272 564449480 /nfs/dbraw/zinc/44/94/80/564449480.db2.gz QUMOODHLBYGBMG-PKFCDNJMSA-N 1 0 379.213 2.621 20 0 GFADRO CC[C@H](CNS(C)(=O)=O)[NH2+][C@H](C)c1cnn(-c2cccc(Cl)c2)c1C ZINC000453289515 564451825 /nfs/dbraw/zinc/45/18/25/564451825.db2.gz RYHLHYDSWMNPRR-IUODEOHRSA-N 1 0 384.933 2.813 20 0 GFADRO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N(C)Cc1ccc(Cl)s1 ZINC000514626297 564452030 /nfs/dbraw/zinc/45/20/30/564452030.db2.gz UDNXREGVYBZAKV-CQSZACIVSA-N 1 0 385.961 2.987 20 0 GFADRO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)N[C@H](CO)c1cccc(Br)c1 ZINC000514652236 564452808 /nfs/dbraw/zinc/45/28/08/564452808.db2.gz OZXUGXNXYRLJHN-HZPDHXFCSA-N 1 0 398.345 2.902 20 0 GFADRO C[C@@H]([NH2+]C1CCN(C(=O)C2CC2)CC1)C(=O)Nc1ccc(Br)cc1 ZINC000514707581 564454343 /nfs/dbraw/zinc/45/43/43/564454343.db2.gz MXRZRPPEVULGJZ-GFCCVEGCSA-N 1 0 394.313 2.767 20 0 GFADRO CC[C@H](Cn1cncn1)[NH2+]C[C@H](CO)Cc1ccc(C)c(Br)c1 ZINC000453358882 564454978 /nfs/dbraw/zinc/45/49/78/564454978.db2.gz JALRPHMCNULZMY-HZPDHXFCSA-N 1 0 381.318 2.568 20 0 GFADRO Cc1c(Br)cccc1CNC(=O)N[C@H](C)CC[NH+]1CCN(C)CC1 ZINC000569257073 564456231 /nfs/dbraw/zinc/45/62/31/564456231.db2.gz QWPZAVATEAQXTN-CQSZACIVSA-N 1 0 397.361 2.583 20 0 GFADRO C[C@H]1C[C@H]1[N@@H+]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C)C[C@@H](C)C1 ZINC000453442126 564457556 /nfs/dbraw/zinc/45/75/56/564457556.db2.gz FOCXXJODACDNKD-SLEUVZQESA-N 1 0 393.333 2.739 20 0 GFADRO CCOC(=O)COc1c(Br)cc(C)cc1C[NH2+][C@@H]1C[C@H]1OCC ZINC000569304978 564458028 /nfs/dbraw/zinc/45/80/28/564458028.db2.gz RSFJQCPZCPHYGF-HUUCEWRRSA-N 1 0 386.286 2.966 20 0 GFADRO Cc1cc(Br)c(C[NH+]2CCC(C(=O)NCCCO)CC2)s1 ZINC000453563637 564458200 /nfs/dbraw/zinc/45/82/00/564458200.db2.gz NCPRTKSVXYGRSX-UHFFFAOYSA-N 1 0 375.332 2.530 20 0 GFADRO CCS(=O)(=O)c1ccc(C[NH2+]C[C@@H](O)COc2ccccc2Cl)cc1 ZINC000514855995 564459890 /nfs/dbraw/zinc/45/98/90/564459890.db2.gz KRZMKDZXRSOLAA-OAHLLOKOSA-N 1 0 383.897 2.663 20 0 GFADRO Cc1cc(Cl)cc(NC(=O)C(=O)N[C@@H](C)CC[NH+](C)C)c1Br ZINC000453635333 564461153 /nfs/dbraw/zinc/46/11/53/564461153.db2.gz ITXVVWLIDTXMHL-JTQLQIEISA-N 1 0 390.709 2.806 20 0 GFADRO O[C@H](COc1c(Cl)cccc1Cl)C[N@@H+]1CCC[C@@H](N2CCOCC2)C1 ZINC000569376018 564461268 /nfs/dbraw/zinc/46/12/68/564461268.db2.gz KNIPKNUAWSCIOF-CABCVRRESA-N 1 0 389.323 2.530 20 0 GFADRO CSc1ccc(Cl)cc1NC(=O)C(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000480187576 564462189 /nfs/dbraw/zinc/46/21/89/564462189.db2.gz PJUQIBSEQRMQMI-GOSISDBHSA-N 1 0 381.929 2.945 20 0 GFADRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)[C@@H]3C[C@@]34CCc3cc(Br)ccc34)C[C@H]12 ZINC000514932553 564462961 /nfs/dbraw/zinc/46/29/61/564462961.db2.gz KWSPRWTVSYFUCI-VQWWJCQQSA-N 1 0 375.310 2.849 20 0 GFADRO CC(C)[N@@H+](C)C[C@H](C)NC(=O)Cc1csc(NC(=O)c2cccs2)n1 ZINC000569417055 564463083 /nfs/dbraw/zinc/46/30/83/564463083.db2.gz VWDAMNKZLUWYHI-LBPRGKRZSA-N 1 0 380.539 2.844 20 0 GFADRO CC[C@H](O)CCC[NH2+][C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000480201688 564463141 /nfs/dbraw/zinc/46/31/41/564463141.db2.gz QNNGXEZDEBVCOX-GXTWGEPZSA-N 1 0 376.316 2.808 20 0 GFADRO CC[C@H](O)CCC[NH2+][C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000480201689 564463293 /nfs/dbraw/zinc/46/32/93/564463293.db2.gz QNNGXEZDEBVCOX-JSGCOSHPSA-N 1 0 376.316 2.808 20 0 GFADRO CCS(=O)(=O)N1CCC(C[NH2+][C@H](C)c2nc(C(F)(F)F)cs2)CC1 ZINC000546647070 564463757 /nfs/dbraw/zinc/46/37/57/564463757.db2.gz BILJABFEKSABLR-SNVBAGLBSA-N 1 0 385.477 2.874 20 0 GFADRO Cc1cc(Br)cc(Cl)c1C(=O)NCCCN1CC[NH+](C)CC1 ZINC000480204934 564464325 /nfs/dbraw/zinc/46/43/25/564464325.db2.gz VAGGFDPQYBUEKZ-UHFFFAOYSA-N 1 0 388.737 2.778 20 0 GFADRO CC(=O)NCCN(C)[C@@H]1CCCN(c2c(C)cc(Br)cc2C)C1=O ZINC000569481658 564465911 /nfs/dbraw/zinc/46/59/11/564465911.db2.gz NJADRBOCTURGAM-MRXNPFEDSA-N 1 0 396.329 2.629 20 0 GFADRO O=S1(=O)CC[C@](O)(C[NH2+][C@@H](Cc2ccccc2Cl)c2ccsc2)C1 ZINC000515038417 564466845 /nfs/dbraw/zinc/46/68/45/564466845.db2.gz FCOGPWYKISQBJH-IRXDYDNUSA-N 1 0 385.938 2.825 20 0 GFADRO CSc1ncc(C(=O)NC[C@]2([NH+](C)C)CCSC2)n1-c1ccccc1 ZINC000480263112 564467012 /nfs/dbraw/zinc/46/70/12/564467012.db2.gz TXJJBFGAVFHRIW-GOSISDBHSA-N 1 0 376.551 2.761 20 0 GFADRO CN(C)C(C)(C)C[NH2+][C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000480339533 564469587 /nfs/dbraw/zinc/46/95/87/564469587.db2.gz WGNYNMXHZQMUNT-ZDUSSCGKSA-N 1 0 375.332 2.597 20 0 GFADRO Cc1ccc(Br)c(NC(=O)C(=O)N2CC[N@@H+](C3CC3)C[C@H](C)C2)c1 ZINC000453766562 564470126 /nfs/dbraw/zinc/47/01/26/564470126.db2.gz HJLKYWAYYDWASG-ZDUSSCGKSA-N 1 0 394.313 2.639 20 0 GFADRO C[C@@H]1Cc2cc(S(=O)(=O)N3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)cc(Cl)c2O1 ZINC000569606005 564471453 /nfs/dbraw/zinc/47/14/53/564471453.db2.gz XRHOIOCNJQGTAI-HZSPNIEDSA-N 1 0 384.929 2.674 20 0 GFADRO CN(C)CC[N@H+](C)CCCN(C)CC(=O)Nc1cccc(Cl)c1Cl ZINC000569647350 564472610 /nfs/dbraw/zinc/47/26/10/564472610.db2.gz LYPYJGBTGCOAFY-UHFFFAOYSA-N 1 0 375.344 2.747 20 0 GFADRO CC(C)C[NH2+][C@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 ZINC000480473192 564475428 /nfs/dbraw/zinc/47/54/28/564475428.db2.gz UGJADBAQZOFKOZ-AWEZNQCLSA-N 1 0 375.332 2.848 20 0 GFADRO OC[C@@H](C[NH2+]C[C@@H](O)Cc1ccccc1)Cc1ccccc1Br ZINC000569722836 564476053 /nfs/dbraw/zinc/47/60/53/564476053.db2.gz CVDXMFHBJNZMIP-AEFFLSMTSA-N 1 0 378.310 2.793 20 0 GFADRO O[C@H](C[NH2+][C@H]1CCO[C@]2(CCOC2)C1)COc1c(Cl)cccc1Cl ZINC000515347661 564476246 /nfs/dbraw/zinc/47/62/46/564476246.db2.gz LTCNIODNIHIKNE-OGHNNQOOSA-N 1 0 376.280 2.661 20 0 GFADRO OC[C@H](C[NH2+]C[C@H](O)COc1ccccc1)Cc1ccccc1Br ZINC000515383591 564477493 /nfs/dbraw/zinc/47/74/93/564477493.db2.gz NXNUIZRRDYYPTD-RDJZCZTQSA-N 1 0 394.309 2.630 20 0 GFADRO C[C@@H]1CN(C[C@@H](O)C[NH2+]CC(C)(C)c2cccc(Br)c2)C[C@H](C)O1 ZINC000515414559 564478271 /nfs/dbraw/zinc/47/82/71/564478271.db2.gz JMCYTIGGDHINOJ-DAYGRLMNSA-N 1 0 399.373 2.786 20 0 GFADRO CC(=O)N1CCN(CC[NH2+][C@H](C)[C@@H](C)Oc2ccc(Cl)cc2Cl)CC1 ZINC000480630490 564479792 /nfs/dbraw/zinc/47/97/92/564479792.db2.gz LXQNWKQNRDEANK-ZIAGYGMSSA-N 1 0 388.339 2.903 20 0 GFADRO Cc1cc(Br)cc(Cl)c1C(=O)N[C@@H](C)CN1CC[NH+](C)CC1 ZINC000480639902 564479956 /nfs/dbraw/zinc/47/99/56/564479956.db2.gz AOFIWSJHHHWPEV-LBPRGKRZSA-N 1 0 388.737 2.777 20 0 GFADRO C[C@@H]([NH2+]C[C@@H](C)C(F)(F)F)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000480666204 564481357 /nfs/dbraw/zinc/48/13/57/564481357.db2.gz YWLOEWDDFPTRDS-CHWSQXEVSA-N 1 0 380.432 2.557 20 0 GFADRO C[C@@H]1[C@H]([NH2+][C@@H]2CCS(=O)(=O)c3ccc(Br)cc32)CCCN1C ZINC000480666401 564481674 /nfs/dbraw/zinc/48/16/74/564481674.db2.gz RURNREHRIMQDJA-KCPJHIHWSA-N 1 0 387.343 2.740 20 0 GFADRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]Cc3cnc4ccc(Br)cn34)[C@H]2C1 ZINC000569883549 564482003 /nfs/dbraw/zinc/48/20/03/564482003.db2.gz QVJVQZBORKSSKK-JQFCIGGWSA-N 1 0 391.313 2.833 20 0 GFADRO C[NH+](C)CCn1nccc1NC(=O)N[C@@H]1C[C@@H]1c1cccc(Br)c1 ZINC000570020474 564487647 /nfs/dbraw/zinc/48/76/47/564487647.db2.gz GHKQUAQVQMCIJI-HUUCEWRRSA-N 1 0 392.301 2.885 20 0 GFADRO CC(C)c1n[nH]c(C(=O)N2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)c1Br ZINC000570077530 564490193 /nfs/dbraw/zinc/49/01/93/564490193.db2.gz ABACVJFGUVKMGY-OLZOCXBDSA-N 1 0 399.333 2.654 20 0 GFADRO Cc1ccc(S(=O)(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)cc1Br ZINC000480849165 564490605 /nfs/dbraw/zinc/49/06/05/564490605.db2.gz DEABVQCYUXTMHJ-BBRMVZONSA-N 1 0 387.343 2.862 20 0 GFADRO COC(=O)[C@H](c1cccc(Cl)c1Cl)N1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000516066141 564491996 /nfs/dbraw/zinc/49/19/96/564491996.db2.gz VUTAFSQUPRWIGM-WBMJQRKESA-N 1 0 387.307 2.895 20 0 GFADRO CN(C(=O)C[NH2+]C[C@@H](O)COc1cccc(Br)c1)C1CCCCC1 ZINC000570154958 564493394 /nfs/dbraw/zinc/49/33/94/564493394.db2.gz ILPKSCCJBZRYFP-MRXNPFEDSA-N 1 0 399.329 2.570 20 0 GFADRO CCOCCOC[C@@H](O)C[NH2+]CC1=Cc2cc(Cl)cc(Cl)c2OC1 ZINC000480902645 564494656 /nfs/dbraw/zinc/49/46/56/564494656.db2.gz SPVYYISZDOBQNP-HNNXBMFYSA-N 1 0 376.280 2.773 20 0 GFADRO C[C@H](NS(=O)(=O)c1cncc(Br)c1)[C@H](c1ccccc1)[NH+](C)C ZINC000480896820 564494711 /nfs/dbraw/zinc/49/47/11/564494711.db2.gz JGXNDBCJCOJJIC-BLLLJJGKSA-N 1 0 398.326 2.814 20 0 GFADRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N(C)Cc1ccc(Cl)s1 ZINC000480919752 564495399 /nfs/dbraw/zinc/49/53/99/564495399.db2.gz ZABNAFSBFLIALK-HZSPNIEDSA-N 1 0 385.961 2.843 20 0 GFADRO O=C(NCc1cccc(Cl)c1Cl)Nc1cnc(N2CC[NH2+]CC2)nc1 ZINC000516195366 564495754 /nfs/dbraw/zinc/49/57/54/564495754.db2.gz URJMWCOBJKVQLH-UHFFFAOYSA-N 1 0 381.267 2.515 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)NCCCC[N@@H+](C)C2CC2)c(Br)c1 ZINC000454108004 564498106 /nfs/dbraw/zinc/49/81/06/564498106.db2.gz QERAFONUNIVGEO-UHFFFAOYSA-N 1 0 396.329 2.995 20 0 GFADRO COC(=O)c1cc(Cl)ccc1S(=O)(=O)N(CCC[NH3+])CC1CCCC1 ZINC000516289438 564498666 /nfs/dbraw/zinc/49/86/66/564498666.db2.gz ACFMGVDUMUHIKZ-UHFFFAOYSA-N 1 0 388.917 2.656 20 0 GFADRO Cc1ccc(CC[NH2+]C[C@H](O)COc2cc(F)cc(Br)c2)nc1 ZINC000516276752 564499159 /nfs/dbraw/zinc/49/91/59/564499159.db2.gz LBAHJTNATODUSB-INIZCTEOSA-N 1 0 383.261 2.864 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc(-n2cc(Br)cn2)cc1 ZINC000516500829 564503592 /nfs/dbraw/zinc/50/35/92/564503592.db2.gz ZPNCKZVOUFUCCL-IAGOWNOFSA-N 1 0 389.297 2.991 20 0 GFADRO COC[C@H](C)OC[C@@H](O)C[NH2+][C@H](C)Cc1ccc(F)c(Br)c1 ZINC000570391343 564503795 /nfs/dbraw/zinc/50/37/95/564503795.db2.gz XYHHWZSUJSAWHU-DYEKYZERSA-N 1 0 378.282 2.521 20 0 GFADRO CC[C@@](C)(OC)C(=O)Nc1ccc(CN2CC[NH+](C)CC2)c(Br)c1 ZINC000481123052 564504035 /nfs/dbraw/zinc/50/40/35/564504035.db2.gz PLVQCLIRKRJRRE-GOSISDBHSA-N 1 0 398.345 2.950 20 0 GFADRO CC(=O)N[C@H](C)C1CC[NH+](C[C@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000481149453 564504292 /nfs/dbraw/zinc/50/42/92/564504292.db2.gz PCTAWEVMIVBQMG-DOMZBBRYSA-N 1 0 389.323 2.970 20 0 GFADRO C[C@@H](NC(=O)NC[C@H](C)[NH+](C)C)c1cc2c(cc1Br)OCCO2 ZINC000454288493 564504597 /nfs/dbraw/zinc/50/45/97/564504597.db2.gz JLUAMVVVCKTJJT-WDEREUQCSA-N 1 0 386.290 2.531 20 0 GFADRO Cc1cc(I)cc(C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)c1C ZINC000481151794 564505127 /nfs/dbraw/zinc/50/51/27/564505127.db2.gz BAWIOHOMJVYDSX-ZDUSSCGKSA-N 1 0 384.261 2.875 20 0 GFADRO C[NH+](C)[C@]1(CNC(=O)c2cnn(C(C)(C)C)c2C(F)(F)F)CCSC1 ZINC000481218381 564505901 /nfs/dbraw/zinc/50/59/01/564505901.db2.gz JTPYKYVYFSSNHF-HNNXBMFYSA-N 1 0 378.464 2.824 20 0 GFADRO CCN(C[C@H](O)C(F)(F)F)C(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000547673524 564506558 /nfs/dbraw/zinc/50/65/58/564506558.db2.gz JFMPQCWGHSDOCA-KGLIPLIRSA-N 1 0 381.826 2.897 20 0 GFADRO C[N@H+](CCC(=O)N[C@@H](C(N)=O)c1cccc(Br)c1)C1CCCCC1 ZINC000547733280 564508890 /nfs/dbraw/zinc/50/88/90/564508890.db2.gz HSDKLTYPFJMHLH-QGZVFWFLSA-N 1 0 396.329 2.746 20 0 GFADRO O=C1NC2(CC[NH2+]CC2)C(=O)N1CC/C=C\c1ccc(Br)cc1 ZINC000516648602 564509132 /nfs/dbraw/zinc/50/91/32/564509132.db2.gz CZNYYAFXHZQHAE-IWQZZHSRSA-N 1 0 378.270 2.526 20 0 GFADRO CC(C)OCC[NH+]1CCC(NC(=O)Cc2ccc(Br)cc2O)CC1 ZINC000547749470 564509586 /nfs/dbraw/zinc/50/95/86/564509586.db2.gz YHWOKWTVCBNTMU-UHFFFAOYSA-N 1 0 399.329 2.703 20 0 GFADRO C[C@H]([NH3+])C[C@H](C)NS(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCCCO1 ZINC000570513942 564509696 /nfs/dbraw/zinc/50/96/96/564509696.db2.gz GBIPKZIODWMTHS-YDHLFZDLSA-N 1 0 390.933 2.692 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)C1=Cc2cc(Br)ccc2OC1 ZINC000481355800 564510952 /nfs/dbraw/zinc/51/09/52/564510952.db2.gz WXFALXALIKXDRC-HZPDHXFCSA-N 1 0 377.282 2.968 20 0 GFADRO Brc1c[nH]c(-c2nnc(N3CC[N@@H+]4CCC[C@H]4C3)n2C2CC2)c1 ZINC000570576988 564512468 /nfs/dbraw/zinc/51/24/68/564512468.db2.gz RTJBILXSJGEGGH-ZDUSSCGKSA-N 1 0 377.290 2.655 20 0 GFADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)NC/C=C/c1ccc(Br)cc1 ZINC000454526793 564512925 /nfs/dbraw/zinc/51/29/25/564512925.db2.gz MIVZBTIBRPALPF-NKEDHYFDSA-N 1 0 396.329 2.872 20 0 GFADRO Cc1nnc([C@H]2CC[N@H+](CCC(=O)Nc3ccccc3Br)C2)[nH]1 ZINC000570612461 564514512 /nfs/dbraw/zinc/51/45/12/564514512.db2.gz RKNDOQOKEPAGHP-LBPRGKRZSA-N 1 0 378.274 2.694 20 0 GFADRO CC[C@@H](C)[NH2+][C@H](CNC(=O)NCc1n[nH]cc1Br)c1ccco1 ZINC000570621425 564514552 /nfs/dbraw/zinc/51/45/52/564514552.db2.gz IELBVWFQMXAXFL-ZWNOBZJWSA-N 1 0 384.278 2.694 20 0 GFADRO C[C@H](CNC(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1)Oc1ccc(Br)cc1 ZINC000454589375 564515540 /nfs/dbraw/zinc/51/55/40/564515540.db2.gz WVVQLMHTVDZERX-DVOMOZLQSA-N 1 0 382.302 2.562 20 0 GFADRO NC(=O)[C@H](Cc1ccc(Cl)cc1)[NH2+]CCCCn1cc(Br)cn1 ZINC000481610550 564518166 /nfs/dbraw/zinc/51/81/66/564518166.db2.gz JPWWXJJQMIPFGM-HNNXBMFYSA-N 1 0 399.720 2.765 20 0 GFADRO O=S(=O)(c1cc(Br)ccc1F)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000570718770 564518360 /nfs/dbraw/zinc/51/83/60/564518360.db2.gz CRKMVJICFAEWSM-LBPRGKRZSA-N 1 0 391.306 2.598 20 0 GFADRO CCOC(=O)C[C@@H]1C[C@@H](OC)C[N@@H+]1CCOc1ccc(Br)cc1 ZINC000481728448 564520364 /nfs/dbraw/zinc/52/03/64/564520364.db2.gz XSQHGVBFPJGAHQ-GOEBONIOSA-N 1 0 386.286 2.870 20 0 GFADRO O=C1CNC(=O)N1CCC[NH2+][C@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000481733885 564521243 /nfs/dbraw/zinc/52/12/43/564521243.db2.gz IPWQSSMNNYCDPU-HNNXBMFYSA-N 1 0 384.249 2.571 20 0 GFADRO O=C(Nc1ccc2nccnc2c1Br)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000517018476 564521622 /nfs/dbraw/zinc/52/16/22/564521622.db2.gz USVYXIQQLSWWOR-NSHDSACASA-N 1 0 376.258 2.751 20 0 GFADRO CN(C(=O)Nc1ccnn1Cc1ccc(Br)cc1)[C@H]1CC[NH2+]C1 ZINC000570811257 564522241 /nfs/dbraw/zinc/52/22/41/564522241.db2.gz DIFRALGUHQXTLY-AWEZNQCLSA-N 1 0 378.274 2.520 20 0 GFADRO CC[NH+](CC)C[C@H]1CCN(S(=O)(=O)c2cccc(Br)c2F)C1 ZINC000570807296 564522256 /nfs/dbraw/zinc/52/22/56/564522256.db2.gz QLDWWAIJBNJQAW-GFCCVEGCSA-N 1 0 393.322 2.941 20 0 GFADRO C[NH+](C)CCCC(C)(C)NC(=O)Nc1ccc(NS(C)(=O)=O)c(Cl)c1 ZINC000454852744 564524186 /nfs/dbraw/zinc/52/41/86/564524186.db2.gz JUQNIMAHHANOJT-UHFFFAOYSA-N 1 0 390.937 2.953 20 0 GFADRO C[NH+](C)C1(CNCc2cn(-c3ccccc3Br)nn2)CCCC1 ZINC000571009177 564531684 /nfs/dbraw/zinc/53/16/84/564531684.db2.gz HWPMCDBSTXWPRJ-UHFFFAOYSA-N 1 0 378.318 2.994 20 0 GFADRO C[C@@H](NC(=O)NCC[N@@H+]1CCCOCC1)c1ccc(F)c(Br)c1 ZINC000455003292 564531722 /nfs/dbraw/zinc/53/17/22/564531722.db2.gz NYRMGEVJWGJVNC-GFCCVEGCSA-N 1 0 388.281 2.671 20 0 GFADRO C[NH+](C)[C@@H](CNS(=O)(=O)c1ccc2ncsc2c1)Cc1ccccc1 ZINC000548117467 564532030 /nfs/dbraw/zinc/53/20/30/564532030.db2.gz NPNIVQRLJMVGQX-OAHLLOKOSA-N 1 0 375.519 2.748 20 0 GFADRO C[C@@H](C(=O)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1)[NH+]1CC(C)C1 ZINC000571059587 564534718 /nfs/dbraw/zinc/53/47/18/564534718.db2.gz UKNRRFKKVMILFP-ZDUSSCGKSA-N 1 0 384.307 2.618 20 0 GFADRO C[C@@H]([NH2+]C[C@@H](O)COCC1CC1)c1ccccc1I ZINC000482112908 564535128 /nfs/dbraw/zinc/53/51/28/564535128.db2.gz HAISSGUBQCYACL-DGCLKSJQSA-N 1 0 375.250 2.729 20 0 GFADRO CC[NH+]1C[C@@H](C)N(C(=O)c2ccc(F)cc2I)[C@H](C)C1 ZINC000571121767 564537387 /nfs/dbraw/zinc/53/73/87/564537387.db2.gz TUZTWHJUKQQKAA-GHMZBOCLSA-N 1 0 390.240 2.985 20 0 GFADRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)c2cc(=O)c3cc(Br)ccc3[nH]2)C1 ZINC000517698690 564540505 /nfs/dbraw/zinc/54/05/05/564540505.db2.gz FHNOQZWTRYWKOE-ZDUSSCGKSA-N 1 0 392.297 2.845 20 0 GFADRO C[N@@H+]1CCN(C[C@@H](O)COc2ccc(Cl)cc2Br)CC1(C)C ZINC000517755160 564541461 /nfs/dbraw/zinc/54/14/61/564541461.db2.gz PFBIKCHFHVMLOX-CYBMUJFWSA-N 1 0 391.737 2.868 20 0 GFADRO CC[N@H+](CCNC(=O)NCC(=O)Nc1ccc(Br)c(C)c1)C(C)C ZINC000517872807 564543136 /nfs/dbraw/zinc/54/31/36/564543136.db2.gz UPPCYSUAXQQZPA-UHFFFAOYSA-N 1 0 399.333 2.726 20 0 GFADRO Cc1[nH]c(=O)sc1S(=O)(=O)NCC[NH2+][C@H]1CCC[C@@H]1CCC(C)C ZINC000482520360 564544641 /nfs/dbraw/zinc/54/46/41/564544641.db2.gz RZSUQGGVJLKEOA-KGLIPLIRSA-N 1 0 375.560 2.630 20 0 GFADRO C[NH+](C)[C@H]1CCCN(C(=O)c2ccc(I)c(F)c2)C1 ZINC000518032054 564545192 /nfs/dbraw/zinc/54/51/92/564545192.db2.gz QPQMAYUFZQODDR-NSHDSACASA-N 1 0 376.213 2.597 20 0 GFADRO C[C@H](NC(=O)C[NH2+][C@H](CO)C1CCOCC1)c1ccc(Cl)c(Cl)c1 ZINC000571314938 564545800 /nfs/dbraw/zinc/54/58/00/564545800.db2.gz VCAWHIDUIHVLFE-MEDUHNTESA-N 1 0 375.296 2.548 20 0 GFADRO COC(=O)c1cccc(NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1Br ZINC000455271011 564546725 /nfs/dbraw/zinc/54/67/25/564546725.db2.gz PCVSWLWGPHCNPL-YOGCLGLASA-N 1 0 396.285 2.982 20 0 GFADRO C[C@@H](Cc1ccc(F)c(Br)c1)NC(=O)COC1CCC([NH3+])CC1 ZINC000571321222 564546806 /nfs/dbraw/zinc/54/68/06/564546806.db2.gz GMTDAWQGGDKLIH-XGNXJENSSA-N 1 0 387.293 2.922 20 0 GFADRO C[C@@H]1C[C@@H]([NH2+]CCCN2CCC[C@H]2C(N)=O)c2cccc(Br)c21 ZINC000482629074 564547617 /nfs/dbraw/zinc/54/76/17/564547617.db2.gz MHGYLIBMQJXZSN-WQVCFCJDSA-N 1 0 380.330 2.927 20 0 GFADRO CN(C(=O)CCC[S@](=O)c1ccc(Br)cc1)[C@@H](C[NH3+])C1CC1 ZINC000571395289 564549332 /nfs/dbraw/zinc/54/93/32/564549332.db2.gz XRZJQBCZJOGTHI-NYHFZMIOSA-N 1 0 387.343 2.533 20 0 GFADRO CN(C)S(=O)(=O)c1ccc(C[NH2+][C@H](c2ccccc2)[C@H]2CCOC2)s1 ZINC000571397312 564549341 /nfs/dbraw/zinc/54/93/41/564549341.db2.gz DHUIMZUBRIVKAC-MAUKXSAKSA-N 1 0 380.535 2.866 20 0 GFADRO C[C@H]1[NH2+]CCN(C(=O)NCCNc2ncc(C(F)(F)F)cc2Cl)[C@H]1C ZINC000571419541 564550126 /nfs/dbraw/zinc/55/01/26/564550126.db2.gz KSHCYXIWLDNIKB-ZJUUUORDSA-N 1 0 379.814 2.558 20 0 GFADRO C[NH+](C)C1(CNC(=O)N2CCC(n3cc(Br)cn3)CC2)CCCC1 ZINC000518330274 564550234 /nfs/dbraw/zinc/55/02/34/564550234.db2.gz BNTLEHYSWWNUJC-UHFFFAOYSA-N 1 0 398.349 2.867 20 0 GFADRO CCC[N@H+](CC)C[C@@H](C)NC(=O)c1ccc(I)cn1 ZINC000456062644 564587102 /nfs/dbraw/zinc/58/71/02/564587102.db2.gz LDYIOZXTTFYQLP-LLVKDONJSA-N 1 0 375.254 2.536 20 0 GFADRO Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+]C2CCC(O)(C(F)(F)F)CC2)cc1 ZINC000548487022 564553954 /nfs/dbraw/zinc/55/39/54/564553954.db2.gz WVXJBUVYRUFQHR-HLIUYOAVSA-N 1 0 379.444 2.983 20 0 GFADRO CC[NH+]1CCC(CNC(=O)NCc2nc3c(cccc3Br)[nH]2)CC1 ZINC000571521563 564555607 /nfs/dbraw/zinc/55/56/07/564555607.db2.gz MZBIHPZJFPSHOO-UHFFFAOYSA-N 1 0 394.317 2.857 20 0 GFADRO CC(C)C[C@](C)([NH2+]C[C@H](O)CN1CCOCC1)c1cccc(Br)c1 ZINC000483055926 564557406 /nfs/dbraw/zinc/55/74/06/564557406.db2.gz URHBFMRYZHYFLE-OALUTQOASA-N 1 0 399.373 2.993 20 0 GFADRO O[C@H](COc1ccc(Br)cc1)CN1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000518627360 564558774 /nfs/dbraw/zinc/55/87/74/564558774.db2.gz PBQHASNWNMKMQZ-SJORKVTESA-N 1 0 383.330 2.749 20 0 GFADRO C[C@@]1(C(N)=O)CC[N@H+](CC(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000483291715 564562933 /nfs/dbraw/zinc/56/29/33/564562933.db2.gz RHWQZXGKSKTOAM-CRAIPNDOSA-N 1 0 384.307 2.854 20 0 GFADRO C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000518957624 564565453 /nfs/dbraw/zinc/56/54/53/564565453.db2.gz ODVPIBZJUVBPPU-AAEUAGOBSA-N 1 0 384.307 2.807 20 0 GFADRO Cc1cc(Br)cc(NC(=O)C(=O)NC[C@@H]2CC[N@@H+](C(C)C)C2)c1 ZINC000548602845 564566399 /nfs/dbraw/zinc/56/63/99/564566399.db2.gz RFOGPGYIQBJJMV-ZDUSSCGKSA-N 1 0 382.302 2.543 20 0 GFADRO CS[C@@H]1CN(C(=O)C(=O)c2ccc(Br)cc2)C[C@@H]1[NH+]1CCCC1 ZINC000483394704 564566391 /nfs/dbraw/zinc/56/63/91/564566391.db2.gz LLZQUJJHXKUBPZ-LSDHHAIUSA-N 1 0 397.338 2.670 20 0 GFADRO CC[NH+](CC)C[C@H](C)NC(=O)[C@@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000519062260 564568555 /nfs/dbraw/zinc/56/85/55/564568555.db2.gz FOPRMHQZSHHLFY-UONOGXRCSA-N 1 0 396.329 2.649 20 0 GFADRO CC(C)(C[NH2+]C[C@@H](O)COc1c(Cl)cccc1Cl)C1(O)CCOCC1 ZINC000571875455 564570916 /nfs/dbraw/zinc/57/09/16/564570916.db2.gz PYQRGMRGOZLNOE-CYBMUJFWSA-N 1 0 392.323 2.890 20 0 GFADRO C[C@H](CNC(=O)[C@H](C)N(C)CCn1cc(Br)cn1)c1ccccc1 ZINC000519223399 564572608 /nfs/dbraw/zinc/57/26/08/564572608.db2.gz DMQRIZVJLOOQRZ-CABCVRRESA-N 1 0 393.329 2.886 20 0 GFADRO CN1CC[NH2+]C[C@H]1CNC(=O)c1csc(-c2ccc(Cl)cc2Cl)n1 ZINC000571918145 564572788 /nfs/dbraw/zinc/57/27/88/564572788.db2.gz MDBYLLPZVLYRLF-NSHDSACASA-N 1 0 385.320 2.750 20 0 GFADRO C[C@@H](NC(=O)N1CCC[N@@H+](C(C)(C)C)CC1)c1ncc(Br)cn1 ZINC000571976973 564575487 /nfs/dbraw/zinc/57/54/87/564575487.db2.gz FSNFNKCTFOIUNZ-GFCCVEGCSA-N 1 0 384.322 2.816 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@H](C)Oc1ccccc1Br ZINC000483819400 564575593 /nfs/dbraw/zinc/57/55/93/564575593.db2.gz NILBFJTXKNCGOU-KBPBESRZSA-N 1 0 384.318 3.000 20 0 GFADRO COc1ccc(NC(=O)N[C@H](C)C[C@H](C)[NH3+])c(I)c1 ZINC000572038692 564578804 /nfs/dbraw/zinc/57/88/04/564578804.db2.gz NDVVZVWPFHSIBO-DTWKUNHWSA-N 1 0 377.226 2.547 20 0 GFADRO C[C@H](CNC(=O)N1CC[N@H+](C)CC[C@H]1C)Oc1ccccc1Br ZINC000483983330 564579908 /nfs/dbraw/zinc/57/99/08/564579908.db2.gz RHIGFNHGMMNAJP-ZIAGYGMSSA-N 1 0 384.318 2.952 20 0 GFADRO O=C(Nc1ccc(I)cc1F)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000519552271 564580718 /nfs/dbraw/zinc/58/07/18/564580718.db2.gz RKLBQBSPPSVITR-VHSXEESVSA-N 1 0 389.212 2.504 20 0 GFADRO O=C(NCCNc1cc[nH+]cc1)N[C@H]1CCOc2c(Br)cccc21 ZINC000548911274 564581049 /nfs/dbraw/zinc/58/10/49/564581049.db2.gz GMPITBGNLAQMIZ-HNNXBMFYSA-N 1 0 391.269 2.501 20 0 GFADRO Cc1nc2cc(Cl)c(NC(=O)C(=O)N3CCC[C@@H]([NH+](C)C)C3)cc2s1 ZINC000484043466 564581126 /nfs/dbraw/zinc/58/11/26/564581126.db2.gz LTKOBVILRYYALI-LLVKDONJSA-N 1 0 380.901 2.749 20 0 GFADRO C[N@H+](CCC(=O)Nc1cccnc1)[C@@H](CO)c1cccc(Br)c1 ZINC000484069404 564581613 /nfs/dbraw/zinc/58/16/13/564581613.db2.gz KNVLUIQREUSLAB-INIZCTEOSA-N 1 0 378.270 2.838 20 0 GFADRO C[N@H+](CCC(=O)Nc1cccnc1)[C@H](CO)c1cccc(Br)c1 ZINC000484069405 564581916 /nfs/dbraw/zinc/58/19/16/564581916.db2.gz KNVLUIQREUSLAB-MRXNPFEDSA-N 1 0 378.270 2.838 20 0 GFADRO C[C@@H](Cn1ccnc1)[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000572148958 564583238 /nfs/dbraw/zinc/58/32/38/564583238.db2.gz LLCABOVFVDQZAH-WCQYABFASA-N 1 0 388.693 2.717 20 0 GFADRO CC[NH+](CC)[C@H](CNC(=O)Nc1nnc(OC)s1)c1ccccc1Cl ZINC000549014633 564583455 /nfs/dbraw/zinc/58/34/55/564583455.db2.gz RMWSGDTWCJQLLK-CYBMUJFWSA-N 1 0 383.905 3.405 20 0 GFADRO CC[NH+](CC)CC[C@H](CO)NC(=O)[C@@H](C)Cc1ccc(Br)cc1 ZINC000572185789 564584137 /nfs/dbraw/zinc/58/41/37/564584137.db2.gz NILWOWWXTYCIRU-WMLDXEAASA-N 1 0 385.346 2.837 20 0 GFADRO COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)NCC[N@H+]1CC=C(C)CC1 ZINC000484224693 564584399 /nfs/dbraw/zinc/58/43/99/564584399.db2.gz PDALSPZYQVUPNH-UHFFFAOYSA-N 1 0 386.279 2.709 20 0 GFADRO O=C(CCOC1C[NH2+]C1)Nc1nc(-c2cc(Br)cs2)cs1 ZINC000572273204 564588123 /nfs/dbraw/zinc/58/81/23/564588123.db2.gz YNFVRWJKARWSAW-UHFFFAOYSA-N 1 0 388.312 2.951 20 0 GFADRO Cc1ccc(CN2C(=O)N[C@@]3(CCCC[C@@H]3C[NH3+])C2=O)c(Br)c1 ZINC000519713512 564588134 /nfs/dbraw/zinc/58/81/34/564588134.db2.gz NQAOLFYYBRHSKY-CXAGYDPISA-N 1 0 380.286 2.697 20 0 GFADRO CC[NH+](CC)CCS(=O)(=O)N[C@@H](C)c1ccc(OC)c(Br)c1 ZINC000572290813 564588958 /nfs/dbraw/zinc/58/89/58/564588958.db2.gz MDYCBGJMNDLBJU-LBPRGKRZSA-N 1 0 393.347 2.780 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)N2CCOc3ccc(Br)cc3C2)C[N@@H+]1C1CC1 ZINC000549225538 564589103 /nfs/dbraw/zinc/58/91/03/564589103.db2.gz AUESTEAADHRLDD-DOMZBBRYSA-N 1 0 394.313 2.978 20 0 GFADRO O=C(NC[C@@H]1CCCC[N@H+]1CCO)C1(c2ccc(Br)cc2)CCC1 ZINC000519805890 564591497 /nfs/dbraw/zinc/59/14/97/564591497.db2.gz XZNXWGMKTHUDFF-KRWDZBQOSA-N 1 0 395.341 2.834 20 0 GFADRO C[NH+](C)CCCC(C)(C)NC(=O)CCNC(=O)c1ccc(Br)cc1 ZINC000456161891 564591731 /nfs/dbraw/zinc/59/17/31/564591731.db2.gz AGLOWXXHLZLUDZ-UHFFFAOYSA-N 1 0 398.345 2.806 20 0 GFADRO C[C@H](C[C@H](C)[NH3+])NC(=O)c1nnn(-c2ccc(Br)cc2)c1C1CC1 ZINC000519816861 564592248 /nfs/dbraw/zinc/59/22/48/564592248.db2.gz JBNRNYRKUGVTHT-WDEREUQCSA-N 1 0 392.301 2.763 20 0 GFADRO CCO[C@@H]1COCC[C@H]1[NH2+]Cc1cc2c(cc1Br)OCCCO2 ZINC000484658799 564594680 /nfs/dbraw/zinc/59/46/80/564594680.db2.gz XEHNNEBTHZTNGA-RHSMWYFYSA-N 1 0 386.286 2.894 20 0 GFADRO CC[NH+](CC)C[C@H](C)NC(=O)[C@@H]1CCN(c2ccccc2Br)C1=O ZINC000519995191 564595818 /nfs/dbraw/zinc/59/58/18/564595818.db2.gz YLXXYAKTCIUAOF-KBPBESRZSA-N 1 0 396.329 2.649 20 0 GFADRO Cc1cc(Br)c(C[N@@H+]2CCC[C@@H]2C[C@]2(C)NC(=O)NC2=O)s1 ZINC000572475059 564596165 /nfs/dbraw/zinc/59/61/65/564596165.db2.gz DFAYQOPMCYNBMB-BMIGLBTASA-N 1 0 386.315 2.772 20 0 GFADRO CC1CC[NH+](C[C@@H](O)CNC(=O)NCCc2c(Cl)cccc2Cl)CC1 ZINC000520242800 564599714 /nfs/dbraw/zinc/59/97/14/564599714.db2.gz DVNJOZLNDVSCDT-AWEZNQCLSA-N 1 0 388.339 2.928 20 0 GFADRO CC[NH+](CC)Cc1cccc(CNC(=O)Cn2cc(Br)cn2)c1 ZINC000520357346 564602363 /nfs/dbraw/zinc/60/23/63/564602363.db2.gz UCFJOAMMTZVZAL-UHFFFAOYSA-N 1 0 379.302 2.804 20 0 GFADRO CN(CC(=O)NC1CC[NH+](C2CC2)CC1)Cc1ccc(F)cc1Br ZINC000485025838 564604599 /nfs/dbraw/zinc/60/45/99/564604599.db2.gz QAGMUDMAAOYCIF-UHFFFAOYSA-N 1 0 398.320 2.763 20 0 GFADRO CC(C)(CNC(=O)C(=O)NCc1cccc(Cl)c1Cl)[NH+]1CCCCC1 ZINC000549980636 564611470 /nfs/dbraw/zinc/61/14/70/564611470.db2.gz UXVUOHQIIAWHEU-UHFFFAOYSA-N 1 0 386.323 2.990 20 0 GFADRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)C(=O)Nc1ccccc1Br ZINC000520789783 564613118 /nfs/dbraw/zinc/61/31/18/564613118.db2.gz DAEUFWODDJUPTD-BETUJISGSA-N 1 0 382.302 2.767 20 0 GFADRO O=S(=O)(c1csc(-c2ccccc2)n1)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000572859465 564613416 /nfs/dbraw/zinc/61/34/16/564613416.db2.gz FPZONGDEXNFAHK-HZPDHXFCSA-N 1 0 377.535 2.963 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2C(=O)Cc1cscc1Br ZINC000485432380 564615525 /nfs/dbraw/zinc/61/55/25/564615525.db2.gz CCQDFUGITRDXHX-BPLDGKMQSA-N 1 0 387.343 2.763 20 0 GFADRO CCC[NH+]1CCC(NC(=O)C(=O)N(C)Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000550129942 564615505 /nfs/dbraw/zinc/61/55/05/564615505.db2.gz RAVXIRHPHZYBBK-UHFFFAOYSA-N 1 0 386.323 2.942 20 0 GFADRO O=C(COc1cc(Br)cc(F)c1F)NC1CC[NH+](C2CC2)CC1 ZINC000485461537 564616555 /nfs/dbraw/zinc/61/65/55/564616555.db2.gz CDXJUVRRSIRSBM-UHFFFAOYSA-N 1 0 389.240 2.849 20 0 GFADRO O=C(NCc1ccc(Cl)cc1Cl)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000550301628 564620105 /nfs/dbraw/zinc/62/01/05/564620105.db2.gz VHZLOAQXHJFCQD-CYBMUJFWSA-N 1 0 384.307 2.554 20 0 GFADRO Cc1c2cc(Cl)ccc2sc1CNC(=O)C(=O)NCC[N@@H+](C)C1CC1 ZINC000485589165 564621330 /nfs/dbraw/zinc/62/13/30/564621330.db2.gz FLKIIWJSWLATJY-UHFFFAOYSA-N 1 0 379.913 2.690 20 0 GFADRO C[C@H]1CSc2ccc(Br)cc2[C@@H]1NC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000573092201 564622516 /nfs/dbraw/zinc/62/25/16/564622516.db2.gz HKGLSQHTVDTGAR-CARMDJQYSA-N 1 0 382.327 2.749 20 0 GFADRO Cc1cc(CNC(=O)C(=O)NC[C@H](c2cccs2)[NH+](C)C)ccc1Cl ZINC000550379012 564622448 /nfs/dbraw/zinc/62/24/48/564622448.db2.gz YAWVNUBEMRYSGF-OAHLLOKOSA-N 1 0 379.913 2.745 20 0 GFADRO CN(Cc1ccc(Cl)cc1)C(=O)C(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000550384585 564622616 /nfs/dbraw/zinc/62/26/16/564622616.db2.gz BFBVCPBMCLOCBC-OAHLLOKOSA-N 1 0 379.913 2.779 20 0 GFADRO C[NH+](C)CCn1ccc(C(=O)NCC2(c3cccc(Br)c3)CC2)n1 ZINC000521367254 564625773 /nfs/dbraw/zinc/62/57/73/564625773.db2.gz XFGZDVUWSBZGOV-UHFFFAOYSA-N 1 0 391.313 2.669 20 0 GFADRO C[C@H](Cc1ccc(Br)cc1)NC(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000485793758 564626380 /nfs/dbraw/zinc/62/63/80/564626380.db2.gz XLVGIEFMPQYCPL-DGCLKSJQSA-N 1 0 377.286 2.610 20 0 GFADRO [NH3+][C@H]1CCC[C@@H](CNC(=O)c2ccc(-n3cc(Br)cn3)cc2)C1 ZINC000521425809 564626615 /nfs/dbraw/zinc/62/66/15/564626615.db2.gz YHAPOMDHJYNOKN-DOMZBBRYSA-N 1 0 377.286 2.882 20 0 GFADRO CCOC(=O)CN(C)C(=O)C[NH2+][C@@H](CC)c1cc(F)cc(Br)c1 ZINC000485833239 564627372 /nfs/dbraw/zinc/62/73/72/564627372.db2.gz SKHNATYHAQIJFN-AWEZNQCLSA-N 1 0 389.265 2.650 20 0 GFADRO Cc1c(Br)cccc1CN1C(=O)N[C@@]2(CCCC[C@@H]2C[NH3+])C1=O ZINC000573203657 564628133 /nfs/dbraw/zinc/62/81/33/564628133.db2.gz PZKKQXDKMLQLFL-CXAGYDPISA-N 1 0 380.286 2.697 20 0 GFADRO C[NH+]1CCC2(CCCN2C(=O)C(=O)NCc2c(Cl)cccc2Cl)CC1 ZINC000550726381 564629851 /nfs/dbraw/zinc/62/98/51/564629851.db2.gz AOKCSDOSNOJPLH-UHFFFAOYSA-N 1 0 384.307 2.696 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)c2nn(C)cc2Br)C1 ZINC000550766970 564630593 /nfs/dbraw/zinc/63/05/93/564630593.db2.gz IKOQGNQDJNXJLY-ZIAGYGMSSA-N 1 0 383.334 2.909 20 0 GFADRO Cc1ccsc1CNC(=O)C(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000550787957 564631735 /nfs/dbraw/zinc/63/17/35/564631735.db2.gz CBDSHVYTVHCTSW-HNNXBMFYSA-N 1 0 379.913 2.745 20 0 GFADRO C[NH+](C)C[C@H]1CCCN1S(=O)(=O)Cc1ccc(Cl)cc1Br ZINC000485927279 564631934 /nfs/dbraw/zinc/63/19/34/564631934.db2.gz UYCKUROBMGYLIV-CYBMUJFWSA-N 1 0 395.750 2.958 20 0 GFADRO COc1ccc(Br)cc1C(=O)CCC(=O)NCCC[NH2+]C(C)C ZINC000573322246 564633006 /nfs/dbraw/zinc/63/30/06/564633006.db2.gz WPVJZMFHHQOTFC-UHFFFAOYSA-N 1 0 385.302 2.925 20 0 GFADRO CS(=O)(=O)c1ccc(-c2nc(CN3CCC(CC[NH3+])CC3)cs2)cc1 ZINC000573331160 564633863 /nfs/dbraw/zinc/63/38/63/564633863.db2.gz NWLFZVVWRRZKKW-UHFFFAOYSA-N 1 0 379.551 2.774 20 0 GFADRO NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)c1cc2c(ccc(Cl)c2Cl)[nH]1 ZINC000521676668 564633885 /nfs/dbraw/zinc/63/38/85/564633885.db2.gz DDCMKVRRMVPOLY-CQSZACIVSA-N 1 0 383.279 2.544 20 0 GFADRO CS(=O)(=O)N[C@H]1CCCC[C@@H]1[NH2+]Cc1cc(Br)cc(F)c1F ZINC000573328466 564634001 /nfs/dbraw/zinc/63/40/01/564634001.db2.gz NNPFGWKRBPCEBW-STQMWFEESA-N 1 0 397.285 2.677 20 0 GFADRO CC[C@H](Cn1cncn1)[NH2+]Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000550902224 564634419 /nfs/dbraw/zinc/63/44/19/564634419.db2.gz PESKHNFBNGAKSZ-OAHLLOKOSA-N 1 0 375.274 2.795 20 0 GFADRO Cn1ncc(Br)c1CNc1ccc(N2CCC([NH+](C)C)CC2)cn1 ZINC000485986321 564634670 /nfs/dbraw/zinc/63/46/70/564634670.db2.gz YKTHXXSJBZXAME-UHFFFAOYSA-N 1 0 393.333 2.720 20 0 GFADRO CCC[N@H+](CC)C[C@@H](C)NC(=O)Nc1ccc(NS(C)(=O)=O)c(Cl)c1 ZINC000573370848 564634936 /nfs/dbraw/zinc/63/49/36/564634936.db2.gz KHROATQWFHRQKO-GFCCVEGCSA-N 1 0 390.937 2.953 20 0 GFADRO CC(C)[C@@H](CNC(=O)N[C@@H]1CCc2sc(Cl)cc21)[NH+]1CCN(C)CC1 ZINC000573377654 564635843 /nfs/dbraw/zinc/63/58/43/564635843.db2.gz SJDDFGWJYNMDHU-HUUCEWRRSA-N 1 0 384.977 2.960 20 0 GFADRO Cc1cc(Br)cc(C)c1CNC(=O)NCC(C)(C)N1CCOCC1 ZINC000521850015 564636902 /nfs/dbraw/zinc/63/69/02/564636902.db2.gz QMCKQYHCKZAWKT-UHFFFAOYSA-N 1 0 398.345 2.976 20 0 GFADRO CCCc1ccc(Cl)c(S(=O)(=O)NCCCC[N@@H+]2CCC[C@H]2CO)c1 ZINC000551145404 564638953 /nfs/dbraw/zinc/63/89/53/564638953.db2.gz ZXWVHDPUESWLJO-INIZCTEOSA-N 1 0 388.961 2.808 20 0 GFADRO CCCc1ccc(Cl)c(S(=O)(=O)NCCCC[N@@H+]2CCC[C@@H]2CO)c1 ZINC000551145405 564639106 /nfs/dbraw/zinc/63/91/06/564639106.db2.gz ZXWVHDPUESWLJO-MRXNPFEDSA-N 1 0 388.961 2.808 20 0 GFADRO C[C@H](CNS(=O)(=O)c1cccc(Br)c1Cl)[N@H+](C)C1CC1 ZINC000551147466 564639192 /nfs/dbraw/zinc/63/91/92/564639192.db2.gz CXESVVVRPDTUEQ-SECBINFHSA-N 1 0 381.723 2.864 20 0 GFADRO CC(C)[NH2+]CCC(=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000521926407 564639650 /nfs/dbraw/zinc/63/96/50/564639650.db2.gz LRVVGBORUDNFSM-UHFFFAOYSA-N 1 0 378.826 2.791 20 0 GFADRO CC1(C)CCC[N@@H+]1CCNC(=O)CCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000457047994 564644105 /nfs/dbraw/zinc/64/41/05/564644105.db2.gz DCGKRWSVFGIIPH-UHFFFAOYSA-N 1 0 386.945 2.885 20 0 GFADRO COc1ccc(OC)c(CC[NH2+][C@H](C)Cn2cc(Br)ccc2=O)c1 ZINC000551267083 564644445 /nfs/dbraw/zinc/64/44/45/564644445.db2.gz KJXDCXHTCMLUSP-CYBMUJFWSA-N 1 0 395.297 2.849 20 0 GFADRO O=C1CC[C@H]([NH2+]Cc2cn(-c3ccc(Cl)cc3Cl)nn2)[C@H](C2CC2)N1 ZINC000551270294 564644717 /nfs/dbraw/zinc/64/47/17/564644717.db2.gz FQCMJBIHBXEGKK-YOEHRIQHSA-N 1 0 380.279 2.721 20 0 GFADRO C[C@H]([NH2+]CC(=O)Nc1ccc(I)cc1)[C@@]1(C)CCCO1 ZINC000551306467 564645611 /nfs/dbraw/zinc/64/56/11/564645611.db2.gz LZQKHJSIBGDJEU-XHDPSFHLSA-N 1 0 388.249 2.777 20 0 GFADRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(F)c(I)c2)C1 ZINC000457098842 564645853 /nfs/dbraw/zinc/64/58/53/564645853.db2.gz UQGKZRKHKIZOAF-GFCCVEGCSA-N 1 0 390.240 2.985 20 0 GFADRO Cc1cc(Br)cc(NC(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)c1 ZINC000486367638 564649801 /nfs/dbraw/zinc/64/98/01/564649801.db2.gz GIBIVOKNQLIKHX-MRXNPFEDSA-N 1 0 394.313 2.783 20 0 GFADRO CCCc1nc(C)c(NC(=O)C(=O)NC[C@H](c2cccs2)[NH+](C)C)s1 ZINC000486397543 564650547 /nfs/dbraw/zinc/65/05/47/564650547.db2.gz HHGCKJJEURPULW-GFCCVEGCSA-N 1 0 380.539 2.823 20 0 GFADRO CC(C)[N@H+](C)C[C@@H](O)CN1C(=O)CC(c2c(Cl)cccc2Cl)CC1=O ZINC000573699136 564650693 /nfs/dbraw/zinc/65/06/93/564650693.db2.gz ICEFWNSMQXIJEX-CYBMUJFWSA-N 1 0 387.307 2.927 20 0 GFADRO CCC[C@H]1CN(S(=O)(=O)c2cc(Cl)ccc2F)CCN1CCOC ZINC000551512326 564652830 /nfs/dbraw/zinc/65/28/30/564652830.db2.gz DYJSHIBSAAZCSU-AWEZNQCLSA-N 1 0 378.897 2.601 20 0 GFADRO C[C@@H](Oc1ccc(Cl)c(Cl)c1)C(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000522565185 564652955 /nfs/dbraw/zinc/65/29/55/564652955.db2.gz ZZZOJNDXMPYFCP-ZIAGYGMSSA-N 1 0 389.323 2.970 20 0 GFADRO C[NH+](C)CC(C)(C)NC(=O)c1ncc(Br)cc1Br ZINC000457256097 564653174 /nfs/dbraw/zinc/65/31/74/564653174.db2.gz YOMOFYWWVQJKKU-UHFFFAOYSA-N 1 0 379.096 2.677 20 0 GFADRO CCC1CC([NH2+]C[C@@H](O)COc2ccc(I)cc2)C1 ZINC000551530650 564653348 /nfs/dbraw/zinc/65/33/48/564653348.db2.gz VGYYKOAWACJUDY-UXUKBGGZSA-N 1 0 375.250 2.809 20 0 GFADRO CN(CCn1cc(Br)cn1)C(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000573790476 564654001 /nfs/dbraw/zinc/65/40/01/564654001.db2.gz GZUNBXJXXZNGHY-INIZCTEOSA-N 1 0 394.317 2.590 20 0 GFADRO O=C(c1ccc(Br)c(O)c1)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000486559062 564656697 /nfs/dbraw/zinc/65/66/97/564656697.db2.gz IKVYNGKNBFZUDM-UHFFFAOYSA-N 1 0 397.313 2.729 20 0 GFADRO O[C@@H]1CC[C@H]2CN(Cc3c(Br)cncc3Br)C[C@H]12 ZINC000573854670 564657285 /nfs/dbraw/zinc/65/72/85/564657285.db2.gz UDWSHXUUKBNFQT-MWODSPESSA-N 1 0 376.092 2.809 20 0 GFADRO CN(C)S(=O)(=O)N1CCCC[C@H]1C[NH2+][C@@H]1CCCc2ccc(Cl)cc21 ZINC000573878508 564658226 /nfs/dbraw/zinc/65/82/26/564658226.db2.gz IEQQRVJASLRDSK-FUHWJXTLSA-N 1 0 385.961 2.968 20 0 GFADRO CC1(CNC(=O)NCc2cc(Br)cc3c2OCC3)CC[NH2+]CC1 ZINC000573905184 564658691 /nfs/dbraw/zinc/65/86/91/564658691.db2.gz CSXPYFPRQMTWHT-UHFFFAOYSA-N 1 0 382.302 2.573 20 0 GFADRO CC[NH+]1CCC(NC(=O)c2cn(Cc3ccc(Cl)cc3Cl)nn2)CC1 ZINC000457384118 564658888 /nfs/dbraw/zinc/65/88/88/564658888.db2.gz GERAKCBMPCCWMJ-UHFFFAOYSA-N 1 0 382.295 2.847 20 0 GFADRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)N1CCOc2ccc(Br)cc2C1 ZINC000573906022 564658947 /nfs/dbraw/zinc/65/89/47/564658947.db2.gz QNLJFZWOFQMGAA-WFASDCNBSA-N 1 0 382.302 2.871 20 0 GFADRO COCC[C@H]([NH2+]C[C@H]1CCN(S(C)(=O)=O)C1)c1ccc(Cl)c(Cl)c1 ZINC000551723129 564661499 /nfs/dbraw/zinc/66/14/99/564661499.db2.gz FGMGFDSSEIDUPK-WBMJQRKESA-N 1 0 395.352 2.942 20 0 GFADRO O=C1CCCN1CCC[NH2+]Cc1c(Br)cncc1Br ZINC000573969748 564662652 /nfs/dbraw/zinc/66/26/52/564662652.db2.gz CLLHWMGCHOSJMN-UHFFFAOYSA-N 1 0 391.107 2.709 20 0 GFADRO Cc1cccc(C[C@@H](CO)[NH2+]C[C@@H](O)COc2cccc(Br)c2)c1 ZINC000573966879 564662748 /nfs/dbraw/zinc/66/27/48/564662748.db2.gz ODIUVGIQYRNJOE-ZWKOTPCHSA-N 1 0 394.309 2.690 20 0 GFADRO Cn1ccnc1[C@@H]1CC[N@H+](CC(=O)NCCc2cccc(Cl)c2Cl)C1 ZINC000573979746 564662958 /nfs/dbraw/zinc/66/29/58/564662958.db2.gz SUJBZUAJOIPILA-CQSZACIVSA-N 1 0 381.307 2.875 20 0 GFADRO COc1cc(Cl)c(S(=O)(=O)N2CC[C@H]3CC[N@H+](C)C[C@@H]32)cc1Cl ZINC000486684872 564663085 /nfs/dbraw/zinc/66/30/85/564663085.db2.gz OHNYQXMTQSSYKM-MFKMUULPSA-N 1 0 379.309 2.717 20 0 GFADRO CSC1(CNC(=O)c2c[nH]c3ncc(Br)cc23)CC[NH+](C)CC1 ZINC000574017680 564664223 /nfs/dbraw/zinc/66/42/23/564664223.db2.gz IONMVOLNGYNYGU-UHFFFAOYSA-N 1 0 397.342 2.883 20 0 GFADRO O=S1(=O)CCC(O)(C[NH2+][C@@H]2CCCc3c(Cl)sc(Cl)c32)CC1 ZINC000551814913 564664404 /nfs/dbraw/zinc/66/44/04/564664404.db2.gz WTKOHBNUPAMABL-SNVBAGLBSA-N 1 0 384.350 2.962 20 0 GFADRO C[C@@H](NC(=O)c1ccccc1OCC[NH+](C)C)c1ncc(Br)cn1 ZINC000486761467 564665443 /nfs/dbraw/zinc/66/54/43/564665443.db2.gz VKRBQDZQBLDFPM-GFCCVEGCSA-N 1 0 393.285 2.671 20 0 GFADRO C[C@@H]([NH2+]CC1(c2ccc(Br)cc2)CCCCC1)C(=O)NC(N)=O ZINC000523390428 564665531 /nfs/dbraw/zinc/66/55/31/564665531.db2.gz JABBLLFWKHTMHZ-GFCCVEGCSA-N 1 0 382.302 2.824 20 0 GFADRO Cc1cc(Br)c(C(=O)NC[C@H](C(C)C)N2CC[NH+](C)CC2)s1 ZINC000457549648 564665730 /nfs/dbraw/zinc/66/57/30/564665730.db2.gz AEIIBHSGBIDKKO-CQSZACIVSA-N 1 0 388.375 2.821 20 0 GFADRO COCC[N@@H+]1CC[C@@H](NC(=O)N2CCSC[C@@H]2c2ccc(Cl)cc2)C1 ZINC000523428708 564666445 /nfs/dbraw/zinc/66/64/45/564666445.db2.gz YUNYBJNWBRDOBQ-IAGOWNOFSA-N 1 0 383.945 2.860 20 0 GFADRO CS(=O)(=O)c1cccc(OCCN2CCC[C@@H](OCC(F)(F)F)C2)c1 ZINC000523441444 564667200 /nfs/dbraw/zinc/66/72/00/564667200.db2.gz SXHVMHNVWCBYRS-CQSZACIVSA-N 1 0 381.416 2.512 20 0 GFADRO O=C(NCc1n[nH]cc1Br)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000523433593 564667358 /nfs/dbraw/zinc/66/73/58/564667358.db2.gz WLYUHQWCUUMIED-AWEZNQCLSA-N 1 0 396.289 2.792 20 0 GFADRO COCC[N@@H+]1CC[C@H](NC(=O)NC2(c3cccc(Br)c3)CCC2)C1 ZINC000523430157 564667626 /nfs/dbraw/zinc/66/76/26/564667626.db2.gz SDAYEFFTZRFCMO-INIZCTEOSA-N 1 0 396.329 2.848 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)c1cc(Br)co1 ZINC000457681114 564669055 /nfs/dbraw/zinc/66/90/55/564669055.db2.gz HQKRSEMYATUAPZ-GOEBONIOSA-N 1 0 393.281 2.655 20 0 GFADRO Brc1ccccc1-n1cc(CN[C@H]2CC[N@@H+]3CCCC[C@H]23)nn1 ZINC000574123900 564669722 /nfs/dbraw/zinc/66/97/22/564669722.db2.gz XWIOLJRBKVLXEG-DOTOQJQBSA-N 1 0 376.302 2.746 20 0 GFADRO C[N@@H+]1CCN(C(=O)[C@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)C(C)(C)C1 ZINC000486886046 564669867 /nfs/dbraw/zinc/66/98/67/564669867.db2.gz LYDXYRCRJRDMMJ-ZDUSSCGKSA-N 1 0 384.307 2.899 20 0 GFADRO CN1CC[NH+](CC2(C)CCN(C(=O)c3cc(Br)co3)CC2)CC1 ZINC000457710863 564670358 /nfs/dbraw/zinc/67/03/58/564670358.db2.gz OQCCUBDPCCLNIY-UHFFFAOYSA-N 1 0 384.318 2.532 20 0 GFADRO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCO[C@H](c2ccc(F)c(Br)c2)C1 ZINC000487048062 564673357 /nfs/dbraw/zinc/67/33/57/564673357.db2.gz QIAMEIKYRNWIRJ-FFSVYQOJSA-N 1 0 385.277 2.686 20 0 GFADRO Cc1cc(Br)c(C(=O)N(C)CCC[N@@H+](C)CCN(C)C)s1 ZINC000457796028 564673624 /nfs/dbraw/zinc/67/36/24/564673624.db2.gz DATREPGSMKIJMS-UHFFFAOYSA-N 1 0 376.364 2.775 20 0 GFADRO C[NH+](C)CCCOc1cnccc1CNC(=O)c1cc(Br)co1 ZINC000457808755 564673884 /nfs/dbraw/zinc/67/38/84/564673884.db2.gz OKWCKDHYYILEGY-UHFFFAOYSA-N 1 0 382.258 2.698 20 0 GFADRO CCC(C)(C)[NH2+][C@@H](C)C(=O)N[C@@H]1CCO[C@H]1c1cncc(Br)c1 ZINC000457827974 564674932 /nfs/dbraw/zinc/67/49/32/564674932.db2.gz IPXSUGVMFPEJMS-GLQYFDAESA-N 1 0 384.318 2.957 20 0 GFADRO C[C@H]([NH2+]Cc1ccc(C[S@@](C)=O)cc1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000552074119 564675224 /nfs/dbraw/zinc/67/52/24/564675224.db2.gz BKIISVHEIPCDGO-RKNYENMMSA-N 1 0 383.510 2.959 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C(=O)N1CC[C@H]([NH3+])C[C@@H]1C ZINC000574462801 564675266 /nfs/dbraw/zinc/67/52/66/564675266.db2.gz MAVMRXGFGRDFDJ-FZMZJTMJSA-N 1 0 377.286 2.895 20 0 GFADRO C[C@H]([NH2+]CCCNS(=O)(=O)c1ccccc1Br)c1ccccn1 ZINC000552091803 564675938 /nfs/dbraw/zinc/67/59/38/564675938.db2.gz YNTRDGLQUCJWNS-ZDUSSCGKSA-N 1 0 398.326 2.863 20 0 GFADRO C[C@@H](Cc1ccc(Br)cc1)NC(=O)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000457867511 564676241 /nfs/dbraw/zinc/67/62/41/564676241.db2.gz HGXSDTUUTDXCFS-YOEHRIQHSA-N 1 0 398.345 2.526 20 0 GFADRO C[C@@H]([NH2+]CC1(S(C)(=O)=O)CCCC1)c1ccc(-n2cncn2)cc1Cl ZINC000552097142 564677347 /nfs/dbraw/zinc/67/73/47/564677347.db2.gz UUDFITMTHMPUPT-CYBMUJFWSA-N 1 0 382.917 2.929 20 0 GFADRO Cc1cc(Cl)ccc1S(=O)(=O)NCC[NH2+][C@@H](C)c1cccc(CO)c1 ZINC000552099712 564677771 /nfs/dbraw/zinc/67/77/71/564677771.db2.gz RANASCPVYBFXOF-AWEZNQCLSA-N 1 0 382.913 2.770 20 0 GFADRO C[N@H+](CCNC(=O)c1ccc(I)cc1Cl)C1CC1 ZINC000524414795 564682163 /nfs/dbraw/zinc/68/21/63/564682163.db2.gz TZOXKFTUNBYASC-UHFFFAOYSA-N 1 0 378.641 2.769 20 0 GFADRO CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+]C[C@@H](O)Cc2ccccc2C(F)(F)F)C1 ZINC000574632147 564682707 /nfs/dbraw/zinc/68/27/07/564682707.db2.gz ONAFVVJPIGNTSK-SOUVJXGZSA-N 1 0 379.444 2.554 20 0 GFADRO CCN(CC)S(=O)(=O)c1ccc(CN[C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)s1 ZINC000552227510 564682813 /nfs/dbraw/zinc/68/28/13/564682813.db2.gz AVIKOPBNZJQLKL-BBWFWOEESA-N 1 0 385.599 2.741 20 0 GFADRO C[C@@H]1CC[N@H+](CC(=O)NC2CCN(Cc3cccc(Br)c3)CC2)C1 ZINC000574651628 564683666 /nfs/dbraw/zinc/68/36/66/564683666.db2.gz SEZDVVWERBXTHZ-OAHLLOKOSA-N 1 0 394.357 2.872 20 0 GFADRO C[N@@H+]1CCC[C@@H](CNC(=O)Cn2cc(Br)cn2)[C@@H]1c1cccs1 ZINC000524645171 564684110 /nfs/dbraw/zinc/68/41/10/564684110.db2.gz HQCHBAXEMMEIJE-BLLLJJGKSA-N 1 0 397.342 2.906 20 0 GFADRO C[C@H]1CCC[N@H+](CCNC(=O)N(CCO)Cc2cccc(Br)c2)C1 ZINC000487356791 564684438 /nfs/dbraw/zinc/68/44/38/564684438.db2.gz AHDTXVXBBSFPLG-HNNXBMFYSA-N 1 0 398.345 2.685 20 0 GFADRO C[C@]1(C[NH2+]C[C@H](O)COc2ccc(Br)cc2)CCO[C@H]1C1CC1 ZINC000574686396 564684597 /nfs/dbraw/zinc/68/45/97/564684597.db2.gz RSRZZMHNEIPRKG-RYQLBKOJSA-N 1 0 384.314 2.984 20 0 GFADRO CC1(C)C[C@H]([NH2+]CCS(=O)(=O)c2cccc(Br)c2)CCO1 ZINC000574685038 564684881 /nfs/dbraw/zinc/68/48/81/564684881.db2.gz YECGIOSKSBVDMI-CYBMUJFWSA-N 1 0 376.316 2.770 20 0 GFADRO C[C@@H]([NH2+]Cc1ccc(C[S@](C)=O)cc1)c1cccc(NS(C)(=O)=O)c1 ZINC000552298139 564685464 /nfs/dbraw/zinc/68/54/64/564685464.db2.gz SHRIUJRDGLYEHR-SHACYNPGSA-N 1 0 380.535 2.787 20 0 GFADRO C[C@H]1CC[N@H+](CCNC(=O)c2ccc(F)cc2I)C1 ZINC000524719534 564686575 /nfs/dbraw/zinc/68/65/75/564686575.db2.gz ZJUYWDGAYWWAPD-JTQLQIEISA-N 1 0 376.213 2.502 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1cccc(F)c1I ZINC000574749415 564687538 /nfs/dbraw/zinc/68/75/38/564687538.db2.gz DMUHTVBGNYMXEW-OLZOCXBDSA-N 1 0 388.224 2.787 20 0 GFADRO CS(=O)(=O)N1CC[C@H]([NH2+][C@H]2CCC[C@H]2c2cccc(C(F)(F)F)c2)C1 ZINC000574761541 564687770 /nfs/dbraw/zinc/68/77/70/564687770.db2.gz JPJSZVRLUNQTAJ-JYJNAYRXSA-N 1 0 376.444 2.965 20 0 GFADRO COC(=O)c1ccc(S(=O)(=O)N(CC[NH+](C)C)CC2CCCCC2)s1 ZINC000524961883 564691214 /nfs/dbraw/zinc/69/12/14/564691214.db2.gz NIQAWUCWTUKDOE-UHFFFAOYSA-N 1 0 388.555 2.667 20 0 GFADRO [NH3+]C[C@@H]1CCCC[C@@]12NC(=O)N(Cc1c(F)cccc1Br)C2=O ZINC000575043697 564691637 /nfs/dbraw/zinc/69/16/37/564691637.db2.gz MHRVEYPQIURPFT-MGPLVRAMSA-N 1 0 384.249 2.528 20 0 GFADRO CCCC[N@H+](C)CCNC(=O)C(=O)N[C@H]1CCSc2ccc(Cl)cc21 ZINC000552474101 564692580 /nfs/dbraw/zinc/69/25/80/564692580.db2.gz JQTOMZQRIANFGA-HNNXBMFYSA-N 1 0 383.945 2.841 20 0 GFADRO Cc1cc(CNC(=O)CC2CC[NH+](C)CC2)ccc1I ZINC000487666957 564693580 /nfs/dbraw/zinc/69/35/80/564693580.db2.gz NOYYJBQMPZFUHV-UHFFFAOYSA-N 1 0 386.277 2.948 20 0 GFADRO C[NH+](C)CCN(Cc1ccsc1)C(=O)c1cn(Cc2cccs2)nn1 ZINC000458207688 564693732 /nfs/dbraw/zinc/69/37/32/564693732.db2.gz WBSOSMYEOVALIJ-UHFFFAOYSA-N 1 0 375.523 2.653 20 0 GFADRO CC(C)(C)NS(=O)(=O)CC[NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000552575462 564696042 /nfs/dbraw/zinc/69/60/42/564696042.db2.gz AHLLHQYWTHAGHB-UHFFFAOYSA-N 1 0 387.977 2.612 20 0 GFADRO O=C(NC[C@@H]1CCC[N@H+]1CCCO)N[C@@H]1CCc2c1cccc2Br ZINC000458285440 564697380 /nfs/dbraw/zinc/69/73/80/564697380.db2.gz SFVIRHCAEFKDKH-SUMWQHHRSA-N 1 0 396.329 2.582 20 0 GFADRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)Cn1cc(Br)cn1 ZINC000525382276 564699702 /nfs/dbraw/zinc/69/97/02/564699702.db2.gz OEAXXMMHYOETEN-OAHLLOKOSA-N 1 0 391.313 2.769 20 0 GFADRO C[N@H+](CC(=O)N1CCN(c2cccc(Br)c2)CC1)[C@H]1CCSC1 ZINC000552786051 564700748 /nfs/dbraw/zinc/70/07/48/564700748.db2.gz LLNNHZPVGYWKDK-INIZCTEOSA-N 1 0 398.370 2.535 20 0 GFADRO Cc1nc(CC[NH2+]C[C@@H](O)COc2cc(F)cc(Br)c2)c(C)o1 ZINC000575742513 564702983 /nfs/dbraw/zinc/70/29/83/564702983.db2.gz IHPMOASWGSINTK-CQSZACIVSA-N 1 0 387.249 2.765 20 0 GFADRO COc1ccc(Cl)cc1C[C@H]1CCC[N@H+](CCCS(=O)(=O)N(C)C)C1 ZINC000525504278 564702942 /nfs/dbraw/zinc/70/29/42/564702942.db2.gz FYLFKWIOIICMOK-OAHLLOKOSA-N 1 0 388.961 2.885 20 0 GFADRO CC[NH+]1CCN([C@@H]2CCN(Cc3cc(Br)cc(F)c3F)C2)CC1 ZINC000575752908 564703136 /nfs/dbraw/zinc/70/31/36/564703136.db2.gz QLHXFFCXFKPTFK-OAHLLOKOSA-N 1 0 388.300 2.939 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@H](C)c1c(Cl)cccc1Cl ZINC000552861342 564703725 /nfs/dbraw/zinc/70/37/25/564703725.db2.gz SPMXRKBWZVUPCV-QWHCGFSZSA-N 1 0 386.323 2.814 20 0 GFADRO Cc1cc(S(=O)(=O)N2CC3CCC2(C[NH3+])CC3)sc1Br ZINC000575762553 564703956 /nfs/dbraw/zinc/70/39/56/564703956.db2.gz XQACDICLSYPGCV-UHFFFAOYSA-N 1 0 379.345 2.711 20 0 GFADRO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NCc2nc3c(cccc3Br)[nH]2)C1 ZINC000458532733 564705674 /nfs/dbraw/zinc/70/56/74/564705674.db2.gz JYYNHSXODRBFMW-BXUZGUMPSA-N 1 0 394.317 2.853 20 0 GFADRO C[C@H](CCNC(=O)N[C@H](C)c1ncc(Br)cn1)[NH+]1CCCCC1 ZINC000576205293 564707694 /nfs/dbraw/zinc/70/76/94/564707694.db2.gz ILLJCMMWBKUSCM-CHWSQXEVSA-N 1 0 384.322 2.864 20 0 GFADRO C[C@H](CCNC(=O)N[C@@H](C)c1ncc(Br)cn1)[NH+]1CCCCC1 ZINC000576205294 564707745 /nfs/dbraw/zinc/70/77/45/564707745.db2.gz ILLJCMMWBKUSCM-OLZOCXBDSA-N 1 0 384.322 2.864 20 0 GFADRO O=C1[C@H](N2CC[NH2+]C[C@@H]2c2ccccc2Cl)CCCN1CC(F)(F)F ZINC000576227771 564708562 /nfs/dbraw/zinc/70/85/62/564708562.db2.gz GKVIUTBLEHLDKS-HUUCEWRRSA-N 1 0 375.822 2.840 20 0 GFADRO Cc1cc(Br)cn2cc(CNC(=O)N[C@H](C)c3ccn(C)n3)nc12 ZINC000458645119 564709708 /nfs/dbraw/zinc/70/97/08/564709708.db2.gz FRXYPIGYECVAAZ-LLVKDONJSA-N 1 0 391.273 2.699 20 0 GFADRO CC[C@H](NC(=O)NCCc1cn2cc(Br)cc(C)c2n1)C(C)(C)O ZINC000458643926 564709851 /nfs/dbraw/zinc/70/98/51/564709851.db2.gz CVHMQTSUVABFFJ-AWEZNQCLSA-N 1 0 397.317 2.796 20 0 GFADRO Cc1nccc(NC(=O)N(CC[NH+](C)C)Cc2ccccn2)c1Br ZINC000525848424 564709909 /nfs/dbraw/zinc/70/99/09/564709909.db2.gz MBSNOYXPAMBPKV-UHFFFAOYSA-N 1 0 392.301 2.565 20 0 GFADRO COc1cc(C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc(Br)c1OC ZINC000576269931 564710295 /nfs/dbraw/zinc/71/02/95/564710295.db2.gz BFQXEQPEUIFHTO-VHRBIJSZSA-N 1 0 383.286 2.666 20 0 GFADRO O=C(CC[NH2+][C@@H]1CC(=O)N2CCCC[C@@H]12)Nc1ccc(Br)cc1 ZINC000576511097 564714293 /nfs/dbraw/zinc/71/42/93/564714293.db2.gz FGZGLZQGLKBNHQ-CABCVRRESA-N 1 0 380.286 2.521 20 0 GFADRO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCc1ccc(I)c(Cl)c1 ZINC000488558632 564714584 /nfs/dbraw/zinc/71/45/84/564714584.db2.gz HGKSRPMVZWYMNG-ONGXEEELSA-N 1 0 392.668 2.759 20 0 GFADRO Cc1cc(C[N@@H+]2CCC[C@H]2C[C@]2(C)NC(=O)NC2=O)sc1Br ZINC000576505335 564714569 /nfs/dbraw/zinc/71/45/69/564714569.db2.gz ILTOGONISMKDMI-BONVTDFDSA-N 1 0 386.315 2.772 20 0 GFADRO COCC[N@@H+]1CC[C@H](NC(=O)c2cc(Cl)c(C)cc2Br)C1 ZINC000553287532 564714548 /nfs/dbraw/zinc/71/45/48/564714548.db2.gz USZTUWAAXWYAHI-NSHDSACASA-N 1 0 375.694 2.861 20 0 GFADRO CS[C@@H]1CN(CC(=O)Nc2nc(-c3cccs3)cs2)C[C@@H]1[NH+](C)C ZINC000553314828 564715254 /nfs/dbraw/zinc/71/52/54/564715254.db2.gz BGHDTOMYGNJMTG-GXTWGEPZSA-N 1 0 382.580 2.788 20 0 GFADRO C[C@@H](NC(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O)c1cc(Cl)ccc1Cl ZINC000488581423 564715470 /nfs/dbraw/zinc/71/54/70/564715470.db2.gz URPAEQZOSVINEE-ABAIWWIYSA-N 1 0 387.311 2.693 20 0 GFADRO [NH3+]CCC1CCN(C(=O)C(=O)N[C@H]2CCc3c2ccc(Cl)c3Cl)CC1 ZINC000576762229 564718493 /nfs/dbraw/zinc/71/84/93/564718493.db2.gz SSPBPNNTQPTBMO-HNNXBMFYSA-N 1 0 384.307 2.684 20 0 GFADRO C[N@@H+]1CC[C@@H](C(=O)N(Cc2cccc(Br)c2)C2CCOCC2)C1 ZINC000526068229 564719113 /nfs/dbraw/zinc/71/91/13/564719113.db2.gz GEUWHSPYOHPZIL-OAHLLOKOSA-N 1 0 381.314 2.908 20 0 GFADRO CCN(CCC[NH+]1CCCC1)C(=O)N[C@@H](C)c1ncc(Br)cn1 ZINC000458831193 564719648 /nfs/dbraw/zinc/71/96/48/564719648.db2.gz GSSSGQFYFSWPKS-ZDUSSCGKSA-N 1 0 384.322 2.818 20 0 GFADRO CN(CCOc1ccc(Br)cc1)C(=O)COc1cccc(C[NH3+])c1 ZINC000576815990 564720054 /nfs/dbraw/zinc/72/00/54/564720054.db2.gz FSNPTDBZMMVYGD-UHFFFAOYSA-N 1 0 393.281 2.824 20 0 GFADRO C[NH+]1CCC(C)(CNC(=O)Cc2ccc(I)cc2)CC1 ZINC000488784479 564720113 /nfs/dbraw/zinc/72/01/13/564720113.db2.gz OYXBNQABNNLPEN-UHFFFAOYSA-N 1 0 386.277 2.682 20 0 GFADRO C[C@@H](CNS(=O)(=O)Cc1ccccc1Br)C[NH+]1CCCCC1 ZINC000553438914 564720330 /nfs/dbraw/zinc/72/03/30/564720330.db2.gz CWDDNSAEHCVUML-AWEZNQCLSA-N 1 0 389.359 2.991 20 0 GFADRO O=C([C@@H]1C[C@@H]1c1ccc(Br)cc1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000488841734 564721687 /nfs/dbraw/zinc/72/16/87/564721687.db2.gz PSXAEPUKPWTNNL-ZTFGCOKTSA-N 1 0 393.325 2.733 20 0 GFADRO C[NH2+]CCC1CCN(S(=O)(=O)c2cc(C)c(Br)cc2F)CC1 ZINC000576992468 564722492 /nfs/dbraw/zinc/72/24/92/564722492.db2.gz OXSGUGHNGZUQKM-UHFFFAOYSA-N 1 0 393.322 2.907 20 0 GFADRO O=S(=O)(CC[NH2+]C[C@H](CO)Cc1c(F)cccc1Cl)c1ccccc1 ZINC000577109036 564725332 /nfs/dbraw/zinc/72/53/32/564725332.db2.gz FOXQHWMYUMVETH-CQSZACIVSA-N 1 0 385.888 2.694 20 0 GFADRO C[C@@H](NS(=O)(=O)Cc1ccc(Cl)cc1Br)[C@H]1CCC[NH2+]C1 ZINC000577107567 564725382 /nfs/dbraw/zinc/72/53/82/564725382.db2.gz QHQUYIWLBCZEGS-MNOVXSKESA-N 1 0 395.750 2.910 20 0 GFADRO CCc1nc(C)cc(Nc2cnc(N3CCOCC3)c(Br)c2)n1 ZINC000553563206 564726884 /nfs/dbraw/zinc/72/68/84/564726884.db2.gz WTEJJCDBIMSBHY-UHFFFAOYSA-N 1 0 378.274 3.085 20 0 GFADRO C[C@H](O)C[N@@H+]1CCN(C(=O)NC/C=C\c2ccc(Br)cc2)[C@@H](C)C1 ZINC000458981807 564727273 /nfs/dbraw/zinc/72/72/73/564727273.db2.gz TWBXYBUPVTXWTE-CGXNLCPXSA-N 1 0 396.329 2.559 20 0 GFADRO COC1CC[NH+](C(C)(C)CNC(=O)Nc2ccnc(C)c2Br)CC1 ZINC000527087121 564729689 /nfs/dbraw/zinc/72/96/89/564729689.db2.gz PZFUFMMLUNLCCP-UHFFFAOYSA-N 1 0 399.333 2.585 20 0 GFADRO Cc1ccc(C(=O)N2CC[C@]3(C2)CCC[NH2+]C3)cc1I ZINC000577215798 564730094 /nfs/dbraw/zinc/73/00/94/564730094.db2.gz QYTVUXVGCSDUDU-MRXNPFEDSA-N 1 0 384.261 2.815 20 0 GFADRO O=C([C@H](C1CC1)[NH+]1CCCC1)N(CCO)Cc1cccc(Br)c1 ZINC000489121679 564730476 /nfs/dbraw/zinc/73/04/76/564730476.db2.gz GYQZTKNPNWETTP-KRWDZBQOSA-N 1 0 381.314 2.644 20 0 GFADRO C[C@@H]1C[C@@H](N(C)C(=O)NCc2nc3c(cccc3Br)[nH]2)CC[N@@H+]1C ZINC000459193825 564735548 /nfs/dbraw/zinc/73/55/48/564735548.db2.gz FXDTWKGFVQDMOD-NEPJUHHUSA-N 1 0 394.317 2.950 20 0 GFADRO C[C@H](O)C[N@@H+]1CCN(Cc2ccc(OC(F)F)c(Br)c2)[C@@H](C)C1 ZINC000577523789 564736544 /nfs/dbraw/zinc/73/65/44/564736544.db2.gz LFMOXYJDHPVYGG-RYUDHWBXSA-N 1 0 393.272 2.937 20 0 GFADRO Cc1ccc(Br)c(NC(=O)C(=O)N[C@@H](C)C[NH+]2CCC(C)CC2)c1 ZINC000577866939 564738318 /nfs/dbraw/zinc/73/83/18/564738318.db2.gz JQNVSLYSUXOVHT-AWEZNQCLSA-N 1 0 396.329 2.933 20 0 GFADRO COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)N[C@@H](C)C[N@H+](C)C(C)C ZINC000577990792 564739072 /nfs/dbraw/zinc/73/90/72/564739072.db2.gz AUSASSNHHGQJLH-JTQLQIEISA-N 1 0 376.284 2.785 20 0 GFADRO CN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)CC[N@H+](C)[C@@H]2CC2(C)C)c1 ZINC000489470619 564740593 /nfs/dbraw/zinc/74/05/93/564740593.db2.gz MPDNPDUZYQZAFZ-OAHLLOKOSA-N 1 0 387.933 2.649 20 0 GFADRO CC(C)(C)[C@@H](CO)[NH2+]C[C@H](O)COc1ccc(Cl)cc1Br ZINC000578140861 564741242 /nfs/dbraw/zinc/74/12/42/564741242.db2.gz BAZYMEIMRRVEMH-SMDDNHRTSA-N 1 0 380.710 2.839 20 0 GFADRO CC[NH+]1CCC(N(c2ccccc2OC)S(=O)(=O)c2cscn2)CC1 ZINC000578358430 564743175 /nfs/dbraw/zinc/74/31/75/564743175.db2.gz CBDWTEIZDAJDDT-UHFFFAOYSA-N 1 0 381.523 2.831 20 0 GFADRO C[C@@H]1NC(=O)N(CC[NH2+]C2(c3cc(C(F)(F)F)ccc3Cl)CC2)C1=O ZINC000459423957 564743549 /nfs/dbraw/zinc/74/35/49/564743549.db2.gz PRGIQCLONOOLOS-VIFPVBQESA-N 1 0 375.778 2.878 20 0 GFADRO CCOc1cc(C[NH2+][C@@](C)(COC)CC(=O)OC)cc(Br)c1O ZINC000459473240 564746194 /nfs/dbraw/zinc/74/61/94/564746194.db2.gz BFPILKFWZHWYHF-MRXNPFEDSA-N 1 0 390.274 2.611 20 0 GFADRO CCOc1cc(C[NH2+]C[C@@H]2CCCN(C(C)=O)C2)cc(Br)c1O ZINC000459524387 564748999 /nfs/dbraw/zinc/74/89/99/564748999.db2.gz KCZOASXJNKIAOH-ZDUSSCGKSA-N 1 0 385.302 2.902 20 0 GFADRO CCO[C@@H]1C[C@@H]([NH2+]CCCNS(=O)(=O)c2ccccc2Cl)[C@H]1SC ZINC000459541818 564749055 /nfs/dbraw/zinc/74/90/55/564749055.db2.gz NEBQPQGIOQORJA-IIAWOOMASA-N 1 0 392.974 2.507 20 0 GFADRO C[C@@H](Cc1c(Cl)cccc1Cl)[NH2+][C@@H]1CCCN(S(=O)(=O)N(C)C)C1 ZINC000554089311 564749879 /nfs/dbraw/zinc/74/98/79/564749879.db2.gz DAAKKPHFKIMBPK-QWHCGFSZSA-N 1 0 394.368 2.785 20 0 GFADRO CCN1CC[NH+](C[C@@H](C)CNCc2ncc(Cl)cc2Br)CC1 ZINC000527654244 564752660 /nfs/dbraw/zinc/75/26/60/564752660.db2.gz SFDLLMMBQVWJJM-ZDUSSCGKSA-N 1 0 389.769 2.861 20 0 GFADRO O[C@H]1C[C@@H](CNCc2ncc(Br)cc2F)[N@H+](Cc2ccccc2)C1 ZINC000527682454 564755433 /nfs/dbraw/zinc/75/54/33/564755433.db2.gz DQHNCTNPYRFBFB-HOTGVXAUSA-N 1 0 394.288 2.708 20 0 GFADRO C[C@H](CNC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1)Oc1ccccc1Br ZINC000580300466 564755611 /nfs/dbraw/zinc/75/56/11/564755611.db2.gz PNNRQBOACODULZ-KFWWJZLASA-N 1 0 396.329 2.857 20 0 GFADRO COCCO[C@@H]1COCC[C@@H]1[NH2+]Cc1ccc(Br)c(F)c1F ZINC000527695610 564756362 /nfs/dbraw/zinc/75/63/62/564756362.db2.gz OQHUGYMHAXDSQV-QWHCGFSZSA-N 1 0 380.229 2.637 20 0 GFADRO CC(=O)NCC[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(Br)cc2)C1 ZINC000554294704 564756508 /nfs/dbraw/zinc/75/65/08/564756508.db2.gz SUTPDSFDHWAJRJ-AWEZNQCLSA-N 1 0 382.302 2.626 20 0 GFADRO O[C@H](C[NH2+]Cc1ccc(-c2ccccc2Br)s1)Cn1ccnn1 ZINC000459706968 564757461 /nfs/dbraw/zinc/75/74/61/564757461.db2.gz WHABNBSCQDVHIY-GFCCVEGCSA-N 1 0 393.310 2.920 20 0 GFADRO OCCCN1CCC[C@@H]([NH2+]Cc2c[nH]nc2-c2ccc(Br)s2)C1 ZINC000527713879 564757672 /nfs/dbraw/zinc/75/76/72/564757672.db2.gz OXNIZQAAJBDUCG-CYBMUJFWSA-N 1 0 399.358 2.837 20 0 GFADRO CN(Cc1ccccc1Br)C(=O)C[N@@H+]1CC2(CCC2)[C@@H]2COC[C@@H]21 ZINC000459693745 564757735 /nfs/dbraw/zinc/75/77/35/564757735.db2.gz CYWPTJOLOHWFDF-WBVHZDCISA-N 1 0 393.325 2.908 20 0 GFADRO CS(=O)(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccc(Br)c(F)c1F ZINC000527707218 564757786 /nfs/dbraw/zinc/75/77/86/564757786.db2.gz DIBJDSHAMYDPGJ-LLVKDONJSA-N 1 0 397.285 2.631 20 0 GFADRO CC[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCN(Cc2ccc(Br)s2)CC1 ZINC000580439042 564758209 /nfs/dbraw/zinc/75/82/09/564758209.db2.gz OHSCLRSOTLZLLI-KGLIPLIRSA-N 1 0 386.359 2.543 20 0 GFADRO CC(C)n1cc(C[NH2+]C[C@@H](CO)Cc2cc(F)cc(Br)c2)nn1 ZINC000459710996 564758639 /nfs/dbraw/zinc/75/86/39/564758639.db2.gz VAVGJYIZELPHNM-ZDUSSCGKSA-N 1 0 385.281 2.701 20 0 GFADRO O[C@H](COc1cccc(Br)c1)C[N@@H+]1CC2(CCC2)[C@@H]2COC[C@@H]21 ZINC000459744715 564759826 /nfs/dbraw/zinc/75/98/26/564759826.db2.gz ZXLWAEMKUPZUNF-UAGQMJEPSA-N 1 0 382.298 2.690 20 0 GFADRO OC[C@@]1([NH2+]Cc2ccc(I)cc2)COc2ccccc2C1 ZINC000527770446 564760270 /nfs/dbraw/zinc/76/02/70/564760270.db2.gz WPRZEYMLWFPBOV-QGZVFWFLSA-N 1 0 395.240 2.747 20 0 GFADRO CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000459852452 564762590 /nfs/dbraw/zinc/76/25/90/564762590.db2.gz BLMCAICDNUVEIT-CQSZACIVSA-N 1 0 383.945 2.694 20 0 GFADRO CN(Cc1ccc(Cl)s1)C(=O)C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000459855752 564762648 /nfs/dbraw/zinc/76/26/48/564762648.db2.gz BRXBRDUPTVHMCN-UHFFFAOYSA-N 1 0 383.945 2.694 20 0 GFADRO C[C@H]([NH2+]CC1(C(N)=O)CCOCC1)c1cc(F)c(Br)cc1F ZINC000527850013 564763459 /nfs/dbraw/zinc/76/34/59/564763459.db2.gz NJWZXMZHIGDBFE-VIFPVBQESA-N 1 0 377.229 2.660 20 0 GFADRO COC(=O)c1cnc(NC(=O)[C@@H]2C[N@@H+](C(C)(C)C)C[C@H]2C(F)(F)F)s1 ZINC000459907033 564765370 /nfs/dbraw/zinc/76/53/70/564765370.db2.gz VFAJAHLUIQCCKK-RKDXNWHRSA-N 1 0 379.404 2.777 20 0 GFADRO CC[NH+]1CCN(Cc2ccc(NC(=O)[C@@H]3C[C@]3(C)Br)cc2)CC1 ZINC000527941755 564765385 /nfs/dbraw/zinc/76/53/85/564765385.db2.gz POONCUBBIRUFLB-WMZOPIPTSA-N 1 0 380.330 2.936 20 0 GFADRO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@]1(C)COc2ccccc2O1 ZINC000527928253 564765558 /nfs/dbraw/zinc/76/55/58/564765558.db2.gz IMBASVOTMJCHNC-SCLBCKFNSA-N 1 0 393.281 2.819 20 0 GFADRO Cc1ccc(I)cc1C(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000490238381 564766618 /nfs/dbraw/zinc/76/66/18/564766618.db2.gz DEOHZLONXFURDR-WFASDCNBSA-N 1 0 384.261 2.766 20 0 GFADRO CC[NH+](CC)CC(=O)N(CCc1ccc(Cl)cc1)C[C@@H](O)C(F)(F)F ZINC000580607389 564766826 /nfs/dbraw/zinc/76/68/26/564766826.db2.gz NROKRDAWMDZKOH-OAHLLOKOSA-N 1 0 380.838 2.976 20 0 GFADRO Cn1ncc2c1CCC[C@H]2[NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000580709709 564770355 /nfs/dbraw/zinc/77/03/55/564770355.db2.gz LVGDNFUAFRROLZ-CZUORRHYSA-N 1 0 398.276 2.729 20 0 GFADRO C[N@@H+]1CC[C@H](CNC(=O)c2scc(Br)c2Br)C1 ZINC000528120481 564771081 /nfs/dbraw/zinc/77/10/81/564771081.db2.gz WAPCKRCFSPUNDV-SSDOTTSWSA-N 1 0 382.121 2.955 20 0 GFADRO C[C@H](C(=O)NCCCS(=O)(=O)c1ccc(Cl)cc1)[NH+]1[C@H](C)CC[C@H]1C ZINC000554708157 564771108 /nfs/dbraw/zinc/77/11/08/564771108.db2.gz WAGLGINWYUZSIF-RBSFLKMASA-N 1 0 386.945 2.881 20 0 GFADRO CCn1c(COc2ccc(Br)cc2)nnc1N1CC[NH+](CC)CC1 ZINC000460216094 564771660 /nfs/dbraw/zinc/77/16/60/564771660.db2.gz MKEGLNAFGQXWPF-UHFFFAOYSA-N 1 0 394.317 2.781 20 0 GFADRO CS[C@@H]1CN([C@@H](C)C(=O)NCc2ccc(Cl)cc2)C[C@@H]1[NH+]1CCCC1 ZINC000460345329 564773849 /nfs/dbraw/zinc/77/38/49/564773849.db2.gz BTJJYDDIGKHXNO-JCGIZDLHSA-N 1 0 381.973 2.856 20 0 GFADRO CS[C@@H]1CN([C@H]2CCN(c3cccc(Cl)c3)C2=O)C[C@@H]1[NH+]1CCCC1 ZINC000460349999 564773963 /nfs/dbraw/zinc/77/39/63/564773963.db2.gz JIDPSFNZBHZMAT-OKZBNKHCSA-N 1 0 379.957 2.957 20 0 GFADRO CCn1c(-c2cc(Br)cn2C)nnc1N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000460314191 564774114 /nfs/dbraw/zinc/77/41/14/564774114.db2.gz SBANAZXKHFMBOC-AWEZNQCLSA-N 1 0 393.333 2.739 20 0 GFADRO CN(CC1CC[NH+](C)CC1)C(=O)C1(c2cccc(Br)c2)CC(=O)C1 ZINC000580804252 564774567 /nfs/dbraw/zinc/77/45/67/564774567.db2.gz PLLUWXSEALCSIW-UHFFFAOYSA-N 1 0 393.325 2.850 20 0 GFADRO CN(C(=O)[C@H]1CCN(Cc2ccc(S(C)(=O)=O)s2)C1)c1ccccc1 ZINC000580820987 564775299 /nfs/dbraw/zinc/77/52/99/564775299.db2.gz XPSDLHWAISJWCN-AWEZNQCLSA-N 1 0 378.519 2.637 20 0 GFADRO C[C@H](c1nc(C2([NH3+])CCC2)no1)N1C(=O)c2ccc(Br)cc2C1=O ZINC000580892381 564778361 /nfs/dbraw/zinc/77/83/61/564778361.db2.gz HMYXEYFFQVOQEC-MRVPVSSYSA-N 1 0 391.225 2.527 20 0 GFADRO C[NH+](C)CC(C)(C)NS(=O)(=O)Cc1cc(Cl)ccc1Br ZINC000580890324 564778834 /nfs/dbraw/zinc/77/88/34/564778834.db2.gz JPSZMIYYRWIUOG-UHFFFAOYSA-N 1 0 383.739 2.862 20 0 GFADRO Cc1cccc(CNC(=O)N(C)CCC[N@@H+](C)CCN(C)C)c1Br ZINC000460841287 564781897 /nfs/dbraw/zinc/78/18/97/564781897.db2.gz SEXMFMZFBKEXJO-UHFFFAOYSA-N 1 0 399.377 2.782 20 0 GFADRO C[C@H](c1ccc(Br)cc1)N1CC[NH+](C[C@@H](O)CC2(O)CCC2)CC1 ZINC000528390575 564781960 /nfs/dbraw/zinc/78/19/60/564781960.db2.gz NKSAPJPFKJPFFP-QAPCUYQASA-N 1 0 397.357 2.794 20 0 GFADRO CS[C@@H]1CN(S(=O)(=O)c2cc(Cl)ccc2F)C[C@@H]1[NH+]1CCCC1 ZINC000580968133 564782146 /nfs/dbraw/zinc/78/21/46/564782146.db2.gz ZYLMZEXRJVXABS-UONOGXRCSA-N 1 0 378.922 2.679 20 0 GFADRO CC(C)[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000555115525 564783553 /nfs/dbraw/zinc/78/35/53/564783553.db2.gz QWNUEZYXQUNQSV-BBRMVZONSA-N 1 0 396.329 2.647 20 0 GFADRO O=C(Nc1ncc(C(F)(F)F)s1)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000581019715 564783607 /nfs/dbraw/zinc/78/36/07/564783607.db2.gz BOHPTMNVPSQEHP-NSHDSACASA-N 1 0 378.420 2.881 20 0 GFADRO CC[C@H]1[NH2+]CC[C@@H]1C(=O)NCc1noc(-c2cccc(Br)c2)n1 ZINC000581069414 564785578 /nfs/dbraw/zinc/78/55/78/564785578.db2.gz FZMUSPOYKROHJG-QWHCGFSZSA-N 1 0 379.258 2.503 20 0 GFADRO CSC1(CNC(=O)N2C[C@H](C(F)(F)F)OC(C)(C)C2)CC[NH+](C)CC1 ZINC000491077359 564786787 /nfs/dbraw/zinc/78/67/87/564786787.db2.gz MUUPZMCQAQTDIE-GFCCVEGCSA-N 1 0 383.480 2.565 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)[C@@H](c2ccc(Br)cc2)N2CCCC2)CC[NH2+]1 ZINC000581071033 564787050 /nfs/dbraw/zinc/78/70/50/564787050.db2.gz JICKCEBGSUZKOJ-KBRIMQKVSA-N 1 0 380.330 2.843 20 0 GFADRO CC(C)[N@H+](C)C[C@@H](C)NC(=O)C1(c2cccc(Br)c2)CC(=O)C1 ZINC000461037442 564788062 /nfs/dbraw/zinc/78/80/62/564788062.db2.gz IVGFCVULHDMGIW-CYBMUJFWSA-N 1 0 381.314 2.895 20 0 GFADRO C[C@H](CCO)CC[NH2+]C[C@H](O)COc1ccc(Cl)cc1Br ZINC000581131491 564789652 /nfs/dbraw/zinc/78/96/52/564789652.db2.gz JOEVOPNAXRMRAH-AAEUAGOBSA-N 1 0 380.710 2.840 20 0 GFADRO CC[N@@H+]1CC[C@H]2OCCN(S(=O)(=O)c3ccc(SC)c(Cl)c3)[C@H]2C1 ZINC000555385932 564791992 /nfs/dbraw/zinc/79/19/92/564791992.db2.gz LQVXPTAHUYWAFR-LSDHHAIUSA-N 1 0 390.958 2.546 20 0 GFADRO COc1cc(CNC[C@@H](C)C[NH+](C)C)cc(I)c1OC ZINC000491545856 564792223 /nfs/dbraw/zinc/79/22/23/564792223.db2.gz LIQVTOPWZZEQRW-LLVKDONJSA-N 1 0 392.281 2.596 20 0 GFADRO CC[C@@H](C(=O)N[C@@H](C(=O)OC)c1ccc(Br)cc1)[NH+](CC)CC ZINC000461340901 564794190 /nfs/dbraw/zinc/79/41/90/564794190.db2.gz OECCXVKASNNGBI-LSDHHAIUSA-N 1 0 385.302 2.900 20 0 GFADRO CCC[N@H+](CC)C[C@H](C)NC(=O)c1cncc(I)c1 ZINC000581343123 564798170 /nfs/dbraw/zinc/79/81/70/564798170.db2.gz AGSQTBPIHRKVPQ-NSHDSACASA-N 1 0 375.254 2.536 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)C(=O)N1CCC[C@@H]1c1cccs1)c1cccs1 ZINC000555681111 564801307 /nfs/dbraw/zinc/80/13/07/564801307.db2.gz DYBVECIULRYUHJ-ZIAGYGMSSA-N 1 0 377.535 2.892 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CN(C(=O)Nc2cc(Cl)c(Br)cc2F)CCO1 ZINC000528695420 564801916 /nfs/dbraw/zinc/80/19/16/564801916.db2.gz CXSVHXUBFPJACC-MADCSZMMSA-N 1 0 380.645 2.822 20 0 GFADRO COCCCOc1ccc(Cl)cc1S(=O)(=O)NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000581428822 564802092 /nfs/dbraw/zinc/80/20/92/564802092.db2.gz GOWARRWHRSZUMN-HIFRSBDPSA-N 1 0 390.933 2.551 20 0 GFADRO C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1[NH2+]CCS(=O)(=O)c1ccc(Br)cc1 ZINC000528749866 564802847 /nfs/dbraw/zinc/80/28/47/564802847.db2.gz FPRHLHPUAMBAAH-OHTBPHCPSA-N 1 0 376.316 2.624 20 0 GFADRO O=C(NCCC[NH+]1CCCCC1)C(=O)NCCc1c(Cl)cccc1Cl ZINC000555754915 564803887 /nfs/dbraw/zinc/80/38/87/564803887.db2.gz OQAJWNPZHZHFIV-UHFFFAOYSA-N 1 0 386.323 2.644 20 0 GFADRO OC[C@]1([C@@H]([NH2+]C[C@H](O)COc2ccc(Cl)cc2Cl)C2CC2)CCCO1 ZINC000555759961 564804404 /nfs/dbraw/zinc/80/44/04/564804404.db2.gz ZSXCRUCDWMMYAD-WBAXXEDZSA-N 1 0 390.307 2.643 20 0 GFADRO FC(F)CN1CCC([NH2+][C@H]2CCO[C@@H]2c2cncc(Br)c2)CC1 ZINC000492907716 564804662 /nfs/dbraw/zinc/80/46/62/564804662.db2.gz PYMTZBNVAJXGPI-GOEBONIOSA-N 1 0 390.272 2.993 20 0 GFADRO C[C@@H]1C[NH+](CCC2CCN(C(=O)[C@@H]3C[C@@]3(C)Br)CC2)C[C@@H](C)O1 ZINC000528800543 564806374 /nfs/dbraw/zinc/80/63/74/564806374.db2.gz SVTSLTDJZVRBQK-AHEZYBDSSA-N 1 0 387.362 2.898 20 0 GFADRO CN([C@H](C[NH3+])C1CC1)S(=O)(=O)c1ccc2cc(Br)ccc2c1 ZINC000461900462 564807784 /nfs/dbraw/zinc/80/77/84/564807784.db2.gz KRCKSFRKTKJOTH-MRXNPFEDSA-N 1 0 383.311 2.960 20 0 GFADRO O=C(N[C@H]1CCOC2(CCSCC2)C1)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000581557893 564807958 /nfs/dbraw/zinc/80/79/58/564807958.db2.gz YOVQTDQXWMMPKO-DLBZAZTESA-N 1 0 384.611 2.765 20 0 GFADRO COc1cc(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC3)C2)cc(Br)c1OC ZINC000555881426 564808050 /nfs/dbraw/zinc/80/80/50/564808050.db2.gz KDVRVGSEFGKTPQ-CYBMUJFWSA-N 1 0 383.286 2.775 20 0 GFADRO CN([C@H](C[NH3+])C1CC1)S(=O)(=O)c1cc(Cl)c(Br)cc1F ZINC000461904936 564808555 /nfs/dbraw/zinc/80/85/55/564808555.db2.gz ZQYXKMJHFCAGPK-LLVKDONJSA-N 1 0 385.686 2.599 20 0 GFADRO Cc1nc(-c2ccc(S(=O)(=O)N[C@@H]3C[C@H]3C3CC[NH2+]CC3)s2)cs1 ZINC000461903583 564808574 /nfs/dbraw/zinc/80/85/74/564808574.db2.gz MSRKIRWMTHZHQV-QWHCGFSZSA-N 1 0 383.564 2.846 20 0 GFADRO COC(=O)c1cc(Br)cc(C(=O)NCC[NH+]2CCC(C)CC2)c1 ZINC000461905335 564808622 /nfs/dbraw/zinc/80/86/22/564808622.db2.gz ZSZCOPWDURYHNH-UHFFFAOYSA-N 1 0 383.286 2.697 20 0 GFADRO CC(C)(C)[NH+]1CCC(NC(=O)C(=O)NCc2cccc(Cl)c2Cl)CC1 ZINC000555941069 564808748 /nfs/dbraw/zinc/80/87/48/564808748.db2.gz HLVCMEXTHGCYAC-UHFFFAOYSA-N 1 0 386.323 2.989 20 0 GFADRO [NH3+]CCC1CCN(C(=O)c2cc(=O)[nH]c3c(Br)cccc23)CC1 ZINC000581614884 564810677 /nfs/dbraw/zinc/81/06/77/564810677.db2.gz OENFONYAIKJESK-UHFFFAOYSA-N 1 0 378.270 2.904 20 0 GFADRO O[C@H](C[NH2+]Cc1cn2ccc(Br)cc2n1)COc1ccccc1 ZINC000581636729 564810972 /nfs/dbraw/zinc/81/09/72/564810972.db2.gz NDZLLWJQEXQTOM-OAHLLOKOSA-N 1 0 376.254 2.626 20 0 GFADRO CN(CC[N@H+](C)C1CC1)S(=O)(=O)c1cccc(Cl)c1Br ZINC000493984140 564814754 /nfs/dbraw/zinc/81/47/54/564814754.db2.gz GLPPXDRWYUMEGX-UHFFFAOYSA-N 1 0 381.723 2.817 20 0 GFADRO CC(C)C[C@H](C[NH+](C)C)NS(=O)(=O)CCc1ccccc1Br ZINC000462067493 564815012 /nfs/dbraw/zinc/81/50/12/564815012.db2.gz MEDNYZXGOCQLLN-OAHLLOKOSA-N 1 0 391.375 2.887 20 0 GFADRO CC[NH+]1CCN([C@@H](C)CNc2cc(C(F)(F)F)c(Br)cn2)CC1 ZINC000581817727 564818642 /nfs/dbraw/zinc/81/86/42/564818642.db2.gz SPYNZGYBFQWKLC-NSHDSACASA-N 1 0 395.267 2.723 20 0 GFADRO COc1cc(Br)cc(S(=O)(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)c1 ZINC000581823767 564818663 /nfs/dbraw/zinc/81/86/63/564818663.db2.gz CMMZEHWRKOCWBV-HAQNSBGRSA-N 1 0 391.331 2.501 20 0 GFADRO CC(C)N1C(=O)C[C@H]([NH2+]CCCS(C)(=O)=O)[C@H]1c1ccc(Cl)c(F)c1 ZINC000494217598 564819729 /nfs/dbraw/zinc/81/97/29/564819729.db2.gz WUPUNYZEKHUKLB-DOTOQJQBSA-N 1 0 390.908 2.554 20 0 GFADRO CSc1cc(N2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)nc(SC)n1 ZINC000581834988 564820067 /nfs/dbraw/zinc/82/00/67/564820067.db2.gz IOYUMBMFGPOQSX-GASCZTMLSA-N 1 0 381.615 2.915 20 0 GFADRO OCC[N@@H+](Cc1cc(Br)cs1)C[C@H](O)COc1ccccc1 ZINC000494243774 564820136 /nfs/dbraw/zinc/82/01/36/564820136.db2.gz CTOGZNCJXMEGKJ-AWEZNQCLSA-N 1 0 386.311 2.745 20 0 GFADRO COC(=O)CN(C)C(=O)CC[N@H+](C)Cc1cc(Br)ccc1Cl ZINC000494268900 564821446 /nfs/dbraw/zinc/82/14/46/564821446.db2.gz SMSNZRCCDLDVGG-UHFFFAOYSA-N 1 0 391.693 2.556 20 0 GFADRO O[C@H](C[NH2+]Cc1ccc(Br)cc1Cl)COC1CCOCC1 ZINC000581879447 564821608 /nfs/dbraw/zinc/82/16/08/564821608.db2.gz KWGWAQZWHRRORZ-CYBMUJFWSA-N 1 0 378.694 2.749 20 0 GFADRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NS(=O)(=O)c1cccc(Br)c1Cl ZINC000556376591 564822923 /nfs/dbraw/zinc/82/29/23/564822923.db2.gz ZSIGUDAYAAWCJY-CABZTGNLSA-N 1 0 393.734 2.864 20 0 GFADRO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]CCn1cnc2ccccc21 ZINC000581948481 564825061 /nfs/dbraw/zinc/82/50/61/564825061.db2.gz OPIHVDKKHGJMJM-ZDUSSCGKSA-N 1 0 375.270 2.639 20 0 GFADRO C[C@@H](c1ccsc1)N1CCN(C(=O)NC[C@@]2([NH+](C)C)CCSC2)CC1 ZINC000462202245 564827713 /nfs/dbraw/zinc/82/77/13/564827713.db2.gz GFCRXFVRBBAVSI-YJBOKZPZSA-N 1 0 382.599 2.574 20 0 GFADRO CS[C@H]1CN(S(=O)(=O)c2ccc(C)c(C(F)(F)F)c2)C[C@@H]1[NH+](C)C ZINC000556479516 564827866 /nfs/dbraw/zinc/82/78/66/564827866.db2.gz CIRIYVCVHGYXLZ-KBPBESRZSA-N 1 0 382.473 2.680 20 0 GFADRO O=C(NC[C@H]1C[N@@H+]2CCN1CCC2)c1c(Br)ccc2ccccc21 ZINC000529284294 564828101 /nfs/dbraw/zinc/82/81/01/564828101.db2.gz MHVBUXMFANVDLD-HNNXBMFYSA-N 1 0 388.309 2.722 20 0 GFADRO COc1cc(CNC(=O)N[C@@H]2CC[NH2+]C23CCC3)cc(Br)c1OC ZINC000529297995 564828655 /nfs/dbraw/zinc/82/86/55/564828655.db2.gz BSFBDHJMWZLSST-CQSZACIVSA-N 1 0 398.301 2.550 20 0 GFADRO O=C(N[C@H]1COc2cc(F)c(Br)cc21)N[C@H]1CC[NH2+]C12CCC2 ZINC000529332842 564830284 /nfs/dbraw/zinc/83/02/84/564830284.db2.gz XKARSUSGMTWNRS-JSGCOSHPSA-N 1 0 384.249 2.606 20 0 GFADRO CC(C)[C@H]1C[NH2+]CCN1C(=O)N[C@@H]1CCOc2c(Br)cccc21 ZINC000529331048 564830343 /nfs/dbraw/zinc/83/03/43/564830343.db2.gz PZTKASUNRXQDAR-HUUCEWRRSA-N 1 0 382.302 2.912 20 0 GFADRO O=C(N[C@H]1COc2cc(F)c(Br)cc21)N[C@@H]1CC[NH2+]C12CCC2 ZINC000529332841 564830638 /nfs/dbraw/zinc/83/06/38/564830638.db2.gz XKARSUSGMTWNRS-GXTWGEPZSA-N 1 0 384.249 2.606 20 0 GFADRO CC1(C)CC[C@H]1[NH2+]C[C@@H](O)COc1ccc(I)cc1 ZINC000556584030 564830880 /nfs/dbraw/zinc/83/08/80/564830880.db2.gz NQQHBAUHKRIUQW-TZMCWYRMSA-N 1 0 375.250 2.809 20 0 GFADRO CNC(=O)c1cccc(NC(=O)N2CC[N@H+](C)C[C@H]2C(C)C)c1Br ZINC000494473190 564831646 /nfs/dbraw/zinc/83/16/46/564831646.db2.gz MLNRYNCTZLUYTB-AWEZNQCLSA-N 1 0 397.317 2.613 20 0 GFADRO COC(=O)c1cc(Br)cc(C(=O)N2CC[N@H+](C)[C@H](C(C)C)C2)c1 ZINC000462316582 564833788 /nfs/dbraw/zinc/83/37/88/564833788.db2.gz OYCQZXCVRLXHAF-HNNXBMFYSA-N 1 0 383.286 2.648 20 0 GFADRO Cc1cccc(CC(=O)N2CCOC[C@H]2[C@@H]2CCC[N@H+]2C)c1Br ZINC000529425142 564834836 /nfs/dbraw/zinc/83/48/36/564834836.db2.gz NXHUDGQTHVSYFH-HOTGVXAUSA-N 1 0 381.314 2.622 20 0 GFADRO O=S1(=O)CCCN1CCN1CCCC[C@@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC000582227075 564835823 /nfs/dbraw/zinc/83/58/23/564835823.db2.gz KSXUDBOUZAYWBR-MRXNPFEDSA-N 1 0 382.917 2.779 20 0 GFADRO O=C(CC[C@@H]1CCC[NH2+]1)N1CCN(Cc2ccc(Br)s2)CC1 ZINC000494714229 564838251 /nfs/dbraw/zinc/83/82/51/564838251.db2.gz WHCSPANOWJIQBW-ZDUSSCGKSA-N 1 0 386.359 2.687 20 0 GFADRO CNC(=O)[C@]1(C)CC[N@H+](Cc2c[nH]nc2-c2ccc(Br)s2)C1 ZINC000529557310 564842385 /nfs/dbraw/zinc/84/23/85/564842385.db2.gz MEWBBVGNPTXQBE-OAHLLOKOSA-N 1 0 383.315 2.859 20 0 GFADRO COc1ccc(Br)cc1C(=O)CCC(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000494887359 564842882 /nfs/dbraw/zinc/84/28/82/564842882.db2.gz CTEQOSUNZONQIQ-SWLSCSKDSA-N 1 0 395.297 2.631 20 0 GFADRO CN(CC[N@H+](C)C1CCN(C)CC1)Cc1ncc(Cl)cc1Br ZINC000529565966 564843282 /nfs/dbraw/zinc/84/32/82/564843282.db2.gz NNILBFUAVAOCBC-UHFFFAOYSA-N 1 0 389.769 2.955 20 0 GFADRO CC(C)[N@H+](C)CCNC(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000494913371 564843383 /nfs/dbraw/zinc/84/33/83/564843383.db2.gz ZVMQOLBGKAAFLQ-OAHLLOKOSA-N 1 0 383.334 2.667 20 0 GFADRO CCOC(=O)c1cc2cc(S(=O)(=O)N3CC[C@@H]([NH3+])C[C@H]3C)ccc2s1 ZINC000582367790 564844041 /nfs/dbraw/zinc/84/40/41/564844041.db2.gz DSBKIFCHWLDVSB-DGCLKSJQSA-N 1 0 382.507 2.578 20 0 GFADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)c1 ZINC000462505987 564844576 /nfs/dbraw/zinc/84/45/76/564844576.db2.gz RRTKROWMCMFNGH-CYBMUJFWSA-N 1 0 388.917 2.525 20 0 GFADRO Cc1cc(S(=O)(=O)N(C)[C@H]2CCC[N@H+](C)C2)c(C)cc1Br ZINC000462497525 564844598 /nfs/dbraw/zinc/84/45/98/564844598.db2.gz YGXVCGQADAFVPP-ZDUSSCGKSA-N 1 0 375.332 2.781 20 0 GFADRO CC[NH+](CC)C[C@H](C)NC(=O)N(CCO)Cc1cc(Br)cs1 ZINC000494953883 564845050 /nfs/dbraw/zinc/84/50/50/564845050.db2.gz QYQQMXWLZHNGNU-LBPRGKRZSA-N 1 0 392.363 2.745 20 0 GFADRO C[C@H](NC(=O)N1CCC[C@@H](C[NH3+])C1)c1cc2c(cc1Br)OCCO2 ZINC000582409492 564845490 /nfs/dbraw/zinc/84/54/90/564845490.db2.gz LKYZIEACVZOKIA-RYUDHWBXSA-N 1 0 398.301 2.662 20 0 GFADRO CS(=O)(=O)[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCN(c3ccc(Cl)cc3F)C2=O)C1 ZINC000529666207 564845746 /nfs/dbraw/zinc/84/57/46/564845746.db2.gz RSGQPTHYQMSCKB-UMVBOHGHSA-N 1 0 388.892 2.530 20 0 GFADRO Cc1[nH]c(=O)c(Br)cc1C(=O)NC[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000529720036 564848743 /nfs/dbraw/zinc/84/87/43/564848743.db2.gz ZQHKNKDISFCUFN-ZDUSSCGKSA-N 1 0 382.302 2.995 20 0 GFADRO O=C(N[C@@H]1CCN(c2cccc(Br)c2)C1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000495196074 564850559 /nfs/dbraw/zinc/85/05/59/564850559.db2.gz XBFIRDCYRKYXPQ-LSDHHAIUSA-N 1 0 393.329 2.564 20 0 GFADRO Cc1cc(S(=O)(=O)NC[C@H]2CCC[N@@H+](C)C2)c(F)cc1Br ZINC000557079671 564853486 /nfs/dbraw/zinc/85/34/86/564853486.db2.gz BDJFCBULESDTNZ-LLVKDONJSA-N 1 0 379.295 2.517 20 0 GFADRO C[N@H+](Cc1nc(-c2cccc(Br)c2)no1)C1(CCO)CCOCC1 ZINC000495450082 564854593 /nfs/dbraw/zinc/85/45/93/564854593.db2.gz KFZDVWMTQBIGSU-UHFFFAOYSA-N 1 0 396.285 2.863 20 0 GFADRO CS[C@H]1CN(C(=O)c2cc(N3CCCC3=O)ccc2Cl)C[C@H]1[NH+](C)C ZINC000495696625 564855643 /nfs/dbraw/zinc/85/56/43/564855643.db2.gz MBFVSTQFDBZHLI-CVEARBPZSA-N 1 0 381.929 2.584 20 0 GFADRO [NH3+]C[C@H]1CCCN(C(=O)Nc2cc(Br)ccc2-n2cccn2)C1 ZINC000582654085 564856641 /nfs/dbraw/zinc/85/66/41/564856641.db2.gz PPENJYLALMWJKP-GFCCVEGCSA-N 1 0 378.274 2.837 20 0 GFADRO COC(=O)CCCN1CCC([NH2+]CCc2ccccc2Br)CC1 ZINC000462792341 564858794 /nfs/dbraw/zinc/85/87/94/564858794.db2.gz VBVGCHNJWOGZMY-UHFFFAOYSA-N 1 0 383.330 2.999 20 0 GFADRO C[NH+](C)C[C@@H](NC(=O)[C@@H]1CCCc2nn[nH]c21)c1ccc(Cl)c(Cl)c1 ZINC000530034730 564860261 /nfs/dbraw/zinc/86/02/61/564860261.db2.gz XHYWIJXIPRWLFU-IAQYHMDHSA-N 1 0 382.295 2.951 20 0 GFADRO CCCN(CC[NH+](C)C)C(=O)CSc1nnc(-c2cccs2)n1CC ZINC000496354472 564860287 /nfs/dbraw/zinc/86/02/87/564860287.db2.gz DMMSWJHRJYNABI-UHFFFAOYSA-N 1 0 381.571 2.919 20 0 GFADRO C[NH+](C)C[C@@H](NC(=O)c1cnc2n[nH]nc2c1)c1ccc(Cl)c(Cl)c1 ZINC000530031322 564860628 /nfs/dbraw/zinc/86/06/28/564860628.db2.gz GCYMTUHDISTHIT-CQSZACIVSA-N 1 0 379.251 2.692 20 0 GFADRO CC(=O)N1CCC[C@@H](C(=O)N[C@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)C1 ZINC000530032999 564860757 /nfs/dbraw/zinc/86/07/57/564860757.db2.gz YMMOQRKVEZUFGV-RHSMWYFYSA-N 1 0 386.323 2.971 20 0 GFADRO C[C@@H]1C[NH+](CCCNC(=O)CCc2cccc(Br)c2)C[C@@H](C)O1 ZINC000496672535 564861280 /nfs/dbraw/zinc/86/12/80/564861280.db2.gz JEKDBQUMUACCSQ-HUUCEWRRSA-N 1 0 383.330 2.997 20 0 GFADRO Nc1ncc(Cl)cc1S(=O)(=O)N(CC[NH+]1CCCCCC1)C1CCC1 ZINC000582777603 564861590 /nfs/dbraw/zinc/86/15/90/564861590.db2.gz ODKGZAUHBUFGBX-UHFFFAOYSA-N 1 0 386.949 2.736 20 0 GFADRO Cc1sc2ncnc(SCC(=O)N[C@@H]3C[C@H]3C3CC[NH2+]CC3)c2c1C ZINC000462893526 564862286 /nfs/dbraw/zinc/86/22/86/564862286.db2.gz FZADRIXMUHEADT-UONOGXRCSA-N 1 0 376.551 2.905 20 0 GFADRO O=C(N[C@@H]1C[C@H]1C1CC[NH2+]CC1)c1ccc(F)cc1I ZINC000462899193 564862333 /nfs/dbraw/zinc/86/23/33/564862333.db2.gz ZAWDGTYHGQFQOC-GXTWGEPZSA-N 1 0 388.224 2.548 20 0 GFADRO CC[C@@H](CNc1ncnc2ccc(I)cc21)[NH+]1CCCC1 ZINC000462923341 564862972 /nfs/dbraw/zinc/86/29/72/564862972.db2.gz AUIUGAYBXMKKFT-ZDUSSCGKSA-N 1 0 396.276 3.521 20 0 GFADRO COC(=O)CCCN1CCC([NH2+]Cc2ccc(Br)cc2OC)CC1 ZINC000462910104 564863134 /nfs/dbraw/zinc/86/31/34/564863134.db2.gz GVRCISKTGQQMPO-UHFFFAOYSA-N 1 0 399.329 2.965 20 0 GFADRO C[NH+](C)Cc1ccc(S(=O)(=O)N[C@@H](CCO)c2ccc(Cl)cc2)cc1 ZINC000557436888 564863533 /nfs/dbraw/zinc/86/35/33/564863533.db2.gz KRGCPGAEAGRTPU-SFHVURJKSA-N 1 0 382.913 2.804 20 0 GFADRO Cc1[nH+]ccc(NC2CCN(S(=O)(=O)Cc3ccccc3)CC2)c1Cl ZINC000497201690 564863824 /nfs/dbraw/zinc/86/38/24/564863824.db2.gz WIADJVBZBGCKHM-UHFFFAOYSA-N 1 0 379.913 2.872 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCCCN1S(=O)(=O)c1ccc(Br)c(Cl)c1 ZINC000497350336 564865678 /nfs/dbraw/zinc/86/56/78/564865678.db2.gz PRYVKMUYMLKYOS-ZANVPECISA-N 1 0 381.723 2.993 20 0 GFADRO CC1(C)CN(CC(=O)N2CCN(C(=O)c3cc(Cl)cc(Cl)c3)CC2)C1 ZINC000557513468 564865990 /nfs/dbraw/zinc/86/59/90/564865990.db2.gz AHZFDVJHYKUQAI-UHFFFAOYSA-N 1 0 384.307 2.620 20 0 GFADRO COc1ccc(Br)c(CNC(=O)N2CC[C@@H]3CC[N@H+](C)C[C@H]32)c1 ZINC000497397466 564866674 /nfs/dbraw/zinc/86/66/74/564866674.db2.gz QEIITTUFEPONRT-BLLLJJGKSA-N 1 0 382.302 2.693 20 0 GFADRO CC[N@@H+]1CCN(c2ncnc3ccc(I)cc32)[C@H](C)C1 ZINC000582956266 564870251 /nfs/dbraw/zinc/87/02/51/564870251.db2.gz UBJAFOHQMHBZQA-LLVKDONJSA-N 1 0 382.249 2.765 20 0 GFADRO CCC[C@H](C(=O)N[C@H]1CCN(c2ccc(Br)c(C)c2)C1=O)[NH+](C)C ZINC000463173030 564871644 /nfs/dbraw/zinc/87/16/44/564871644.db2.gz VKXCUCFTWYDYBD-JKSUJKDBSA-N 1 0 396.329 2.709 20 0 GFADRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)Nc1nnc(SCc2ccccc2)s1 ZINC000583018176 564872993 /nfs/dbraw/zinc/87/29/93/564872993.db2.gz PTNVNDALIDBGLO-CQSZACIVSA-N 1 0 377.539 3.388 20 0 GFADRO COc1nc(N2CC[N@H+](C)[C@H](Cc3ccccc3)C2)ncc1Br ZINC000557743147 564874398 /nfs/dbraw/zinc/87/43/98/564874398.db2.gz URIHGHYBXBOEAZ-CQSZACIVSA-N 1 0 377.286 2.611 20 0 GFADRO O=S(=O)(Cc1cccc(Br)c1)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000583075479 564874756 /nfs/dbraw/zinc/87/47/56/564874756.db2.gz MJHLZOWVSLNUSB-HNNXBMFYSA-N 1 0 387.343 2.885 20 0 GFADRO C[C@H]([NH2+]CC(=O)N1CCCCC1)c1ccc(Br)cc1OCCCO ZINC000463360429 564877092 /nfs/dbraw/zinc/87/70/92/564877092.db2.gz ILNZTZRELCOZGO-AWEZNQCLSA-N 1 0 399.329 2.873 20 0 GFADRO C[C@@H]1CC[N@H+](CCNS(=O)(=O)c2cc(Cl)c(Br)cc2F)C1 ZINC000530351798 564877935 /nfs/dbraw/zinc/87/79/35/564877935.db2.gz GPUSGGREQFCCKW-SECBINFHSA-N 1 0 399.713 2.862 20 0 GFADRO CC1(C)Cc2c(cccc2Br)[C@H]1NC(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000557825968 564879031 /nfs/dbraw/zinc/87/90/31/564879031.db2.gz CUKVCHYYWONWQY-DLBZAZTESA-N 1 0 392.341 2.579 20 0 GFADRO CC[C@H](C)[C@@H](NC(=O)C[N@H+](C)CCc1cccc(Br)c1)C(=O)OC ZINC000463415736 564880024 /nfs/dbraw/zinc/88/00/24/564880024.db2.gz RIJKUVMTSUCDII-SUMWQHHRSA-N 1 0 399.329 2.627 20 0 GFADRO Cc1cc(N2CCC[C@H]([NH2+]CCn3cccn3)C2=O)ccc1Br ZINC000463410445 564880726 /nfs/dbraw/zinc/88/07/26/564880726.db2.gz PMBYWJBJOUNJMR-INIZCTEOSA-N 1 0 377.286 2.739 20 0 GFADRO CN1CC[C@](O)(C[NH2+][C@H]2CCCc3c4cc(Br)ccc4[nH]c32)C1 ZINC000583225930 564881908 /nfs/dbraw/zinc/88/19/08/564881908.db2.gz GYYOMRXPWFGNIZ-WMZOPIPTSA-N 1 0 378.314 2.964 20 0 GFADRO C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000497983376 564883229 /nfs/dbraw/zinc/88/32/29/564883229.db2.gz CBAWIVWMYZLBCN-BLLLJJGKSA-N 1 0 379.913 2.939 20 0 GFADRO CS(=O)(=O)N1CC[C@H](C[N@H+]2CC=C(c3cccc(Br)c3)CC2)C1 ZINC000583275279 564884274 /nfs/dbraw/zinc/88/42/74/564884274.db2.gz SJRGMUXSSUADAK-CQSZACIVSA-N 1 0 399.354 2.820 20 0 GFADRO Cc1c([C@H](C)[NH2+]CCc2cncn2C)nnn1-c1cccc(Br)c1 ZINC000530513186 564885283 /nfs/dbraw/zinc/88/52/83/564885283.db2.gz PBXPUNPXWHVCGZ-LBPRGKRZSA-N 1 0 389.301 2.965 20 0 GFADRO O=C(Cc1ccccc1Br)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000583373091 564888115 /nfs/dbraw/zinc/88/81/15/564888115.db2.gz YHWDCSVGZIRHTO-UHFFFAOYSA-N 1 0 395.341 2.953 20 0 GFADRO O=C(c1c(Cl)cccc1I)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000463755409 564889059 /nfs/dbraw/zinc/88/90/59/564889059.db2.gz MBWDCSSYNAOZMB-SNVBAGLBSA-N 1 0 390.652 2.865 20 0 GFADRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)Nc1nc(-c2ccc(C)s2)cs1 ZINC000498111789 564889242 /nfs/dbraw/zinc/88/92/42/564889242.db2.gz NARLEZBDCTTWGG-LLVKDONJSA-N 1 0 380.539 2.965 20 0 GFADRO [NH3+][C@H](CC(F)F)C(=O)N1CCC(C(=O)Nc2ccc(F)c(Cl)c2)CC1 ZINC000498199283 564891011 /nfs/dbraw/zinc/89/10/11/564891011.db2.gz BREFBOIMLXXVTR-CYBMUJFWSA-N 1 0 377.794 2.639 20 0 GFADRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)CNC(=O)c1sc2ccccc2c1Cl ZINC000583439608 564891239 /nfs/dbraw/zinc/89/12/39/564891239.db2.gz BGLYXCMTCQOJLJ-AAEUAGOBSA-N 1 0 379.913 2.918 20 0 GFADRO CS(=O)(=O)N(C[C@H]1CC[C@H](C[NH3+])CC1)c1cccc(Br)c1 ZINC000583435645 564891454 /nfs/dbraw/zinc/89/14/54/564891454.db2.gz UMCMXNMWEIFQSM-JOCQHMNTSA-N 1 0 375.332 2.980 20 0 GFADRO CC(C)Sc1ccc(Cl)cc1NC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000583452379 564891959 /nfs/dbraw/zinc/89/19/59/564891959.db2.gz GNHOQUMMOBOIMA-OLZOCXBDSA-N 1 0 382.917 2.616 20 0 GFADRO [NH3+][C@H](CC(F)F)C(=O)N1CCC[C@H]1c1ccccc1I ZINC000498216267 564892016 /nfs/dbraw/zinc/89/20/16/564892016.db2.gz NXKQCCHXCSCROU-NEPJUHHUSA-N 1 0 394.203 2.937 20 0 GFADRO CCOC(=O)[C@@H](Cc1cc(Cl)cc(Cl)c1)NC(=O)[C@H]([NH3+])CC(F)F ZINC000498202271 564892203 /nfs/dbraw/zinc/89/22/03/564892203.db2.gz SWUWFIDUYZGADY-VXGBXAGGSA-N 1 0 383.222 2.566 20 0 GFADRO C[S@@](=O)Cc1cc(NC(=O)c2cnn([C@@H]3CCC[NH2+]C3)c2)ccc1Cl ZINC000583562188 564897579 /nfs/dbraw/zinc/89/75/79/564897579.db2.gz FFNJDHSEYWSNRH-SGANQWHYSA-N 1 0 380.901 2.592 20 0 GFADRO C[S@@](=O)Cc1cc(NC(=O)c2cnn([C@H]3CCC[NH2+]C3)c2)ccc1Cl ZINC000583562187 564897702 /nfs/dbraw/zinc/89/77/02/564897702.db2.gz FFNJDHSEYWSNRH-ODCWNRFASA-N 1 0 380.901 2.592 20 0 GFADRO C[C@H](CCO)C1(C[NH2+]C[C@H](O)COc2cccc(Br)c2)CCC1 ZINC000583631389 564900406 /nfs/dbraw/zinc/90/04/06/564900406.db2.gz VLQFRXOHJPOLGN-ZBFHGGJFSA-N 1 0 386.330 2.967 20 0 GFADRO CC[N@@H+]1C[C@H](C)N(C(=O)c2ccc(F)c(I)c2)C[C@H]1C ZINC000498573062 564902414 /nfs/dbraw/zinc/90/24/14/564902414.db2.gz RZEMSYGRDLZZPP-MNOVXSKESA-N 1 0 390.240 2.985 20 0 GFADRO COc1ccc([C@@H](C)[NH2+]CCNS(=O)(=O)c2cc(C)sc2C)cc1O ZINC000558493920 564904100 /nfs/dbraw/zinc/90/41/00/564904100.db2.gz ZORULUFBONMQPO-GFCCVEGCSA-N 1 0 384.523 2.708 20 0 GFADRO COCC[C@H](C)S(=O)(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000464403509 564905606 /nfs/dbraw/zinc/90/56/06/564905606.db2.gz NLTQPSIQRRTORT-HNNXBMFYSA-N 1 0 388.961 2.896 20 0 GFADRO C[C@@H](C(=O)Nc1ccc(Br)cc1)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000583753488 564905866 /nfs/dbraw/zinc/90/58/66/564905866.db2.gz JWKNDTNPAIJFSH-VUCTXSBTSA-N 1 0 396.329 2.604 20 0 GFADRO C[C@H]1CC[N@H+](C)CCN1C(=O)c1ccn(-c2cccc(Br)c2)n1 ZINC000498711517 564906242 /nfs/dbraw/zinc/90/62/42/564906242.db2.gz UUDFRRIAQPRDSZ-ZDUSSCGKSA-N 1 0 377.286 2.801 20 0 GFADRO CSc1nnc(CNC(=O)N[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)s1 ZINC000583875933 564910570 /nfs/dbraw/zinc/91/05/70/564910570.db2.gz ZBYOTTQKKHSSKI-KRWDZBQOSA-N 1 0 377.539 2.724 20 0 GFADRO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]CC[C@@H]1COc2ccccc2O1 ZINC000583918833 564912892 /nfs/dbraw/zinc/91/28/92/564912892.db2.gz TUIJKGGTOHHDPC-DZGCQCFKSA-N 1 0 393.281 2.819 20 0 GFADRO CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)c3ccc(F)c(Br)c3)C2)CC1 ZINC000531583550 564914477 /nfs/dbraw/zinc/91/44/77/564914477.db2.gz ZBONIPDNLYXBGU-OAHLLOKOSA-N 1 0 398.320 2.829 20 0 GFADRO C[NH+]1CCC(CCO)(NC(=O)[C@H]2C[C@@H]2c2ccc(Br)cc2)CC1 ZINC000499123510 564918510 /nfs/dbraw/zinc/91/85/10/564918510.db2.gz RWLWSOHVHSNFQJ-CVEARBPZSA-N 1 0 381.314 2.516 20 0 GFADRO CC[N@@H+]1C[C@@H](C)N(C(=O)Cc2cc3c(cc2Br)OCCO3)C[C@H]1C ZINC000499109856 564918529 /nfs/dbraw/zinc/91/85/29/564918529.db2.gz IXLAJJHUPAWNAW-CHWSQXEVSA-N 1 0 397.313 2.704 20 0 GFADRO C[C@@H]1[C@H](NC(=O)c2ccn(-c3ccc(Br)cc3)n2)CCC[N@@H+]1C ZINC000499122137 564918733 /nfs/dbraw/zinc/91/87/33/564918733.db2.gz QZFYOQREUGDWST-IUODEOHRSA-N 1 0 377.286 2.847 20 0 GFADRO Cc1cccc(NCCCNS(=O)(=O)c2ccccc2Br)[nH+]1 ZINC000584104177 564920909 /nfs/dbraw/zinc/92/09/09/564920909.db2.gz ACIHUWRLLGXEEG-UHFFFAOYSA-N 1 0 384.299 2.933 20 0 GFADRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)c3cc(I)ccc3Cl)C[C@H]12 ZINC000584107659 564921432 /nfs/dbraw/zinc/92/14/32/564921432.db2.gz CBDITIHWPFZRGI-YDEJPDAXSA-N 1 0 390.652 2.754 20 0 GFADRO CC[NH+](CC)[C@@H]1CCN(C(=O)c2cc(F)ccc2I)C1 ZINC000464972167 564921572 /nfs/dbraw/zinc/92/15/72/564921572.db2.gz LBNUJXZPUQNKPN-GFCCVEGCSA-N 1 0 390.240 2.987 20 0 GFADRO C[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1)c1c(Cl)cccc1Cl ZINC000584164186 564923499 /nfs/dbraw/zinc/92/34/99/564923499.db2.gz IUROZKULPQTMFN-JHJVBQTASA-N 1 0 386.323 2.812 20 0 GFADRO C[C@@H](C[NH3+])N(C)C(=O)NCCOc1ccc2cc(Br)ccc2c1 ZINC000584162312 564923519 /nfs/dbraw/zinc/92/35/19/564923519.db2.gz YTCIQHFDFCZNBT-LBPRGKRZSA-N 1 0 380.286 2.970 20 0 GFADRO CCC[C@H](C)[C@H](CO)[NH2+]CC(=O)Nc1ccc(I)cc1 ZINC000584175685 564924288 /nfs/dbraw/zinc/92/42/88/564924288.db2.gz IKFHEUPBDXRIEI-FZMZJTMJSA-N 1 0 390.265 2.616 20 0 GFADRO CC[C@@H](C(=O)N1CCN(Cc2ccc(Br)c(F)c2)CC1)[NH+](C)C ZINC000531986369 564925702 /nfs/dbraw/zinc/92/57/02/564925702.db2.gz BQWJLXGOKJPBPC-INIZCTEOSA-N 1 0 386.309 2.573 20 0 GFADRO C[C@@H](CC[NH+](C)C)NC(=O)NCCOc1ncc(C(F)(F)F)cc1Cl ZINC000465794337 564932079 /nfs/dbraw/zinc/93/20/79/564932079.db2.gz XVIDAPLOLRMRET-JTQLQIEISA-N 1 0 382.814 2.772 20 0 GFADRO CCOc1cccc(C[NH2+]C[C@H](O)COc2ccccc2Br)n1 ZINC000532209908 564932329 /nfs/dbraw/zinc/93/23/29/564932329.db2.gz KAOGJOBZDHNZCS-AWEZNQCLSA-N 1 0 381.270 2.772 20 0 GFADRO CCS(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2ccc(S(C)(=O)=O)cc2)cc1 ZINC000559420377 564933060 /nfs/dbraw/zinc/93/30/60/564933060.db2.gz PWDZDVPRRRZSMT-AWEZNQCLSA-N 1 0 381.519 2.735 20 0 GFADRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NCCc1ccc(F)c(Br)c1 ZINC000466222889 564936100 /nfs/dbraw/zinc/93/61/00/564936100.db2.gz HFYIFCZDRRYFGX-BDJLRTHQSA-N 1 0 384.293 2.913 20 0 GFADRO CC[C@@H]1C[N@@H+]([C@H]2CCCN(c3ccc(Br)c(C)c3)C2=O)C[C@@H]1O ZINC000466196030 564936148 /nfs/dbraw/zinc/93/61/48/564936148.db2.gz BMTJZNZEESACTA-COXVUDFISA-N 1 0 381.314 2.956 20 0 GFADRO COC(=O)C[C@H](C)NC(=O)[C@H](c1ccc(Br)cc1)N1CCCC1 ZINC000466354710 564938340 /nfs/dbraw/zinc/93/83/40/564938340.db2.gz ZWUCKACHLBUHEY-LRDDRELGSA-N 1 0 383.286 2.654 20 0 GFADRO CC[NH+](CC)CCN(C(=O)c1cc(C)nn1C)c1ccc(Br)cn1 ZINC000559696830 564938666 /nfs/dbraw/zinc/93/86/66/564938666.db2.gz MKBXCKDIWMFYOB-UHFFFAOYSA-N 1 0 394.317 2.875 20 0 GFADRO COCCn1cc(C[NH2+]Cc2ccc(I)c(C)c2)cn1 ZINC000466364658 564939090 /nfs/dbraw/zinc/93/90/90/564939090.db2.gz NRQNXVPYRDZZKK-UHFFFAOYSA-N 1 0 385.249 2.732 20 0 GFADRO C[NH+](C)CCOC1CCN(C(=O)Cc2cscc2Br)CC1 ZINC000559777540 564939596 /nfs/dbraw/zinc/93/95/96/564939596.db2.gz UGOCEHRQHGZXKT-UHFFFAOYSA-N 1 0 375.332 2.622 20 0 GFADRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)CCOc1cccc(Br)c1 ZINC000499917489 564940340 /nfs/dbraw/zinc/94/03/40/564940340.db2.gz GILCEVJDFCAOBW-KRWDZBQOSA-N 1 0 399.329 2.787 20 0 GFADRO C[N@H+](Cc1cc(=O)n2cc(Br)ccc2n1)[C@H](CO)c1ccccc1 ZINC000532558331 564941009 /nfs/dbraw/zinc/94/10/09/564941009.db2.gz KHGCQHNQYRMIMR-MRXNPFEDSA-N 1 0 388.265 2.622 20 0 GFADRO C[C@H](CN1CCN(c2ccccn2)CC1)[NH2+]Cc1cncc(Br)c1 ZINC000466463150 564941188 /nfs/dbraw/zinc/94/11/88/564941188.db2.gz HGKPUGVLILIRSA-OAHLLOKOSA-N 1 0 390.329 2.539 20 0 GFADRO CN(CCC[NH+]1CCCC1)C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000499960029 564941975 /nfs/dbraw/zinc/94/19/75/564941975.db2.gz ZQQVYOJCULBUDZ-INIZCTEOSA-N 1 0 389.309 2.746 20 0 GFADRO Cc1ccc(C[NH2+][C@@H]2CCC[C@@H](S(C)(=O)=O)C2)c(-n2cc(Cl)cn2)n1 ZINC000559903819 564942462 /nfs/dbraw/zinc/94/24/62/564942462.db2.gz NBDFCNALFCSNQN-HZPDHXFCSA-N 1 0 382.917 2.675 20 0 GFADRO C[NH+](C)CCc1ccc(CNS(=O)(=O)c2cnc3ccsc3c2)cc1 ZINC000466851674 564948761 /nfs/dbraw/zinc/94/87/61/564948761.db2.gz JSFHJDIQTGENBC-UHFFFAOYSA-N 1 0 375.519 2.879 20 0 GFADRO CCS(=O)(=O)NCC[NH2+]C1(c2ccc(Br)cc2)CCCC1 ZINC000533029504 564951772 /nfs/dbraw/zinc/95/17/72/564951772.db2.gz RTHVUPRIIRIYRJ-UHFFFAOYSA-N 1 0 375.332 2.747 20 0 GFADRO CS(=O)(=O)N[C@H]1CCC[C@H]1C[NH2+]Cc1c(F)ccc(Br)c1F ZINC000500401478 564952038 /nfs/dbraw/zinc/95/20/38/564952038.db2.gz XOUSRIOVOYBZPY-ZANVPECISA-N 1 0 397.285 2.535 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)Cc2cc(=O)n3cc(Br)ccc3n2)C[C@H]1C ZINC000532988243 564952088 /nfs/dbraw/zinc/95/20/88/564952088.db2.gz IIUKMTKHUGRCAM-CZUORRHYSA-N 1 0 393.329 2.762 20 0 GFADRO Cn1cc([C@H]2C[N@@H+]([C@H]3CCc4c3cc(Cl)cc4Cl)C[C@@H]2C(N)=O)cn1 ZINC000500441236 564953388 /nfs/dbraw/zinc/95/33/88/564953388.db2.gz YPEXTJDVEMQYLX-VYDXJSESSA-N 1 0 379.291 2.915 20 0 GFADRO COC(=O)c1ccc(CNCCC[N@@H+]2CCCO[C@H](C)C2)c(Br)c1 ZINC000560274552 564955339 /nfs/dbraw/zinc/95/53/39/564955339.db2.gz MFDBLYPJKGRULA-CQSZACIVSA-N 1 0 399.329 2.826 20 0 GFADRO COCCNC(=O)[C@H](Cc1ccccc1)[NH2+]Cc1csc(Br)c1 ZINC000533104062 564955530 /nfs/dbraw/zinc/95/55/30/564955530.db2.gz GDBNNMOGWILMQQ-HNNXBMFYSA-N 1 0 397.338 2.974 20 0 GFADRO COC(=O)c1ccc(CN2CCC(OCC[NH+](C)C)CC2)c(Br)c1 ZINC000560258566 564955459 /nfs/dbraw/zinc/95/54/59/564955459.db2.gz NGAVRQFPYCZSFZ-UHFFFAOYSA-N 1 0 399.329 2.778 20 0 GFADRO C[C@H]1C[N@H+](C)CCN1c1ccc(Br)cc1NC(=O)C1CC(=O)C1 ZINC000560459443 564963386 /nfs/dbraw/zinc/96/33/86/564963386.db2.gz PBEPMIHUAYYDMW-NSHDSACASA-N 1 0 380.286 2.507 20 0 GFADRO Cc1cc2c(o1)c(C(=O)N1CCN(CC[NH+](C)C)CC1)ccc2Br ZINC000467506463 564965777 /nfs/dbraw/zinc/96/57/77/564965777.db2.gz ZOUDQTIDNGJKFZ-UHFFFAOYSA-N 1 0 394.313 2.823 20 0 GFADRO O=C(NCc1n[nH]cc1Br)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000533570088 564966975 /nfs/dbraw/zinc/96/69/75/564966975.db2.gz FECONPCYFBMMMH-UHFFFAOYSA-N 1 0 398.349 2.970 20 0 GFADRO CCOc1c(Cl)cc(NC(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1Cl ZINC000467570576 564967228 /nfs/dbraw/zinc/96/72/28/564967228.db2.gz TWNYJVOZAKTRDV-WDEREUQCSA-N 1 0 388.295 2.930 20 0 GFADRO O=C(NC[C@H]1C[C@H](O)C[N@H+]1Cc1ccccc1)c1cscc1Br ZINC000560614999 564970211 /nfs/dbraw/zinc/97/02/11/564970211.db2.gz KLWPRLPAGYTQDB-KGLIPLIRSA-N 1 0 395.322 2.876 20 0 GFADRO C[C@H](NS(=O)(=O)c1cc(Br)c(F)cc1F)C(C)(C)C[NH+](C)C ZINC000467768679 564971921 /nfs/dbraw/zinc/97/19/21/564971921.db2.gz GKBXCTUWLSUMAI-VIFPVBQESA-N 1 0 399.301 2.982 20 0 GFADRO CC[NH+](CC)C[C@@H](C)NC(=O)C[C@H](NC(C)=O)c1ccc(Br)cc1 ZINC000501224523 564974060 /nfs/dbraw/zinc/97/40/60/564974060.db2.gz BTXWUDCJHARCOY-DYVFJYSZSA-N 1 0 398.345 2.863 20 0 GFADRO CCC[N@H+](C)CC(=O)N[C@@H]1CCCN(c2ccc(Br)c(C)c2)C1=O ZINC000468148078 564978171 /nfs/dbraw/zinc/97/81/71/564978171.db2.gz GMNFDMMCJPIHKN-MRXNPFEDSA-N 1 0 396.329 2.711 20 0 GFADRO O=C(Nc1c[nH]cc(Br)c1=O)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000534113541 564979887 /nfs/dbraw/zinc/97/98/87/564979887.db2.gz VNDXFCXJMXCJEV-UHFFFAOYSA-N 1 0 385.221 2.950 20 0 GFADRO C[NH+](C)CCNC(=O)NCCOc1ccc2cc(Br)ccc2c1 ZINC000534212764 564982347 /nfs/dbraw/zinc/98/23/47/564982347.db2.gz UZBCRNUOIMTUPX-UHFFFAOYSA-N 1 0 380.286 2.842 20 0 GFADRO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)c1ccc(Cl)c(NS(C)(=O)=O)c1 ZINC000468484638 564984127 /nfs/dbraw/zinc/98/41/27/564984127.db2.gz SEOCYHPFIOVEGL-OAHLLOKOSA-N 1 0 387.933 2.562 20 0 GFADRO CC[NH+]1CCN(CCC(=O)NC(C)(C)c2ccc(Br)cc2)CC1 ZINC000468440353 564984384 /nfs/dbraw/zinc/98/43/84/564984384.db2.gz VASLUPMFMNHIOS-UHFFFAOYSA-N 1 0 382.346 2.828 20 0 GFADRO COC(=O)CC[N@H+](CCN1CCO[C@H](C)C1)Cc1cccc(Br)c1 ZINC000501846869 564986548 /nfs/dbraw/zinc/98/65/48/564986548.db2.gz AYEARUPIRGVDAT-OAHLLOKOSA-N 1 0 399.329 2.535 20 0 GFADRO Ic1cccc2ncnc(N3CC[NH+]4CCC3CC4)c12 ZINC000468601915 564987137 /nfs/dbraw/zinc/98/71/37/564987137.db2.gz VUXNSWIKTOQFPB-UHFFFAOYSA-N 1 0 380.233 2.519 20 0 GFADRO C[C@H](C[NH+]1CCOCC1)C(=O)NCCCc1ccc(Br)cc1F ZINC000502061642 564991082 /nfs/dbraw/zinc/99/10/82/564991082.db2.gz VFGKHYPDVGXJJC-CYBMUJFWSA-N 1 0 387.293 2.605 20 0 GFADRO O=C(c1cc[nH]c(=O)c1Br)N1CC[NH+](CC2CCCCC2)CC1 ZINC000468796599 564994493 /nfs/dbraw/zinc/99/44/93/564994493.db2.gz CIOLYJHUEBVNML-UHFFFAOYSA-N 1 0 382.302 2.888 20 0 GFADRO CC[C@H](CO)[NH+]1CCN(C(=O)CCOc2ccc(Cl)cc2Cl)CC1 ZINC000534713870 564995127 /nfs/dbraw/zinc/99/51/27/564995127.db2.gz JNUCSBKDKAPRCN-CQSZACIVSA-N 1 0 375.296 2.677 20 0 GFADRO CS[C@@H]1CN(C(=O)[C@@H](C)Oc2ccccc2Br)C[C@@H]1[NH+](C)C ZINC000534827928 564997381 /nfs/dbraw/zinc/99/73/81/564997381.db2.gz STQCCWGJKRMZLR-OSAQELSMSA-N 1 0 387.343 2.720 20 0 GFADRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)CCOc3cccc(Br)c3)[C@H]2C1 ZINC000502636554 565002948 /nfs/dbraw/zinc/00/29/48/565002948.db2.gz KSRRBAWZIBIJDY-DLBZAZTESA-N 1 0 397.313 2.540 20 0 GFADRO C[C@@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)CCOCC(F)(F)C(F)(F)F ZINC000469120420 565006105 /nfs/dbraw/zinc/00/61/05/565006105.db2.gz YURITTZAZYEKCW-JTQLQIEISA-N 1 0 390.374 2.541 20 0 GFADRO Cc1cccc(NCC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)c1Br ZINC000469188315 565008491 /nfs/dbraw/zinc/00/84/91/565008491.db2.gz LPLJPLAXVMOGKA-OAHLLOKOSA-N 1 0 398.345 2.642 20 0 GFADRO Cc1c(Br)ccc(C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@H]2C)c1F ZINC000469223282 565010122 /nfs/dbraw/zinc/01/01/22/565010122.db2.gz DIJYEFSSNNUWBF-LLVKDONJSA-N 1 0 387.293 2.814 20 0 GFADRO C[C@@H](C[NH+](C)C)NC(=O)N[C@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O ZINC000503134526 565012355 /nfs/dbraw/zinc/01/23/55/565012355.db2.gz DMWBEHOJHGEITL-FZMZJTMJSA-N 1 0 387.311 2.738 20 0 GFADRO O=C(N[C@H]1CC[N@@H+](C2CC2)C1)C1(c2ccc(I)cc2)CC1 ZINC000503167232 565012796 /nfs/dbraw/zinc/01/27/96/565012796.db2.gz POJVIBOSEXHXIJ-AWEZNQCLSA-N 1 0 396.272 2.676 20 0 GFADRO C[C@@H](Oc1ccc(Br)cc1)C(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000535441673 565013057 /nfs/dbraw/zinc/01/30/57/565013057.db2.gz TXCXQKYVVOIJEZ-CQSZACIVSA-N 1 0 399.329 2.522 20 0 GFADRO O=C(NCC[NH2+][C@H]1CCc2c1cc(Br)cc2Cl)c1cnccn1 ZINC000535508934 565014895 /nfs/dbraw/zinc/01/48/95/565014895.db2.gz PINRJGPQPWQNIY-AWEZNQCLSA-N 1 0 395.688 2.899 20 0 GFADRO C[C@@H](Cc1ccc(Br)cc1F)[NH2+]C[C@H]1CCCS(=O)(=O)C1 ZINC000562057939 565016857 /nfs/dbraw/zinc/01/68/57/565016857.db2.gz KMLHMZPGZKEFLE-NWDGAFQWSA-N 1 0 378.307 2.934 20 0 GFADRO CS[C@H]1CN(S(=O)(=O)Cc2c(Cl)cccc2Cl)C[C@H]1[NH+](C)C ZINC000535620396 565017002 /nfs/dbraw/zinc/01/70/02/565017002.db2.gz IECISBKEBFYYFO-KGLIPLIRSA-N 1 0 383.366 2.801 20 0 GFADRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)C1(c2ccc(I)cc2)CC1 ZINC000503512829 565022072 /nfs/dbraw/zinc/02/20/72/565022072.db2.gz JSCKHECPVKKFKM-QWHCGFSZSA-N 1 0 398.288 2.874 20 0 GFADRO CCCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@H+](C[C@H](O)CC(F)(F)F)C1 ZINC000469607818 565022292 /nfs/dbraw/zinc/02/22/92/565022292.db2.gz WGEIMAGKOAESFQ-VXGBXAGGSA-N 1 0 378.357 2.813 20 0 GFADRO Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)[C@H](C)[C@@H](C)S(C)(=O)=O ZINC000469634199 565023067 /nfs/dbraw/zinc/02/30/67/565023067.db2.gz RTZSNUWHCRVQTD-HUUCEWRRSA-N 1 0 384.567 2.552 20 0 GFADRO Cc1c(Br)cc(C(=O)NC[C@H]2CCCC[N@H+]2CC(C)C)c(=O)n1C ZINC000469670092 565023751 /nfs/dbraw/zinc/02/37/51/565023751.db2.gz KBEKRBXSKCDNII-CQSZACIVSA-N 1 0 398.345 2.697 20 0 GFADRO COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)NC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000562318258 565024391 /nfs/dbraw/zinc/02/43/91/565024391.db2.gz SOZUCGWGXKXFQY-LLVKDONJSA-N 1 0 388.295 2.787 20 0 GFADRO CCOC(=O)[C@@H](Cc1cc(Cl)cc(Cl)c1)NC(=O)C[NH+](CC)CC ZINC000503678653 565026266 /nfs/dbraw/zinc/02/62/66/565026266.db2.gz BKBCKDSAWIFEGF-OAHLLOKOSA-N 1 0 375.296 2.926 20 0 GFADRO O=S(=O)(CC[NH2+]C[C@@H]1Cc2ccccc2O1)c1cccc(Br)c1 ZINC000562382705 565026839 /nfs/dbraw/zinc/02/68/39/565026839.db2.gz WQQKOZODLDKKNJ-HNNXBMFYSA-N 1 0 396.306 2.816 20 0 GFADRO Cc1c(Cl)cccc1S(=O)(=O)N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000469809017 565027769 /nfs/dbraw/zinc/02/77/69/565027769.db2.gz MIQPPEMVZXUXSE-INIZCTEOSA-N 1 0 386.945 2.914 20 0 GFADRO CN(C)CCS(=O)(=O)c1ccccc1C(=O)Nc1cccc(Cl)c1[O-] ZINC000503761664 565028208 /nfs/dbraw/zinc/02/82/08/565028208.db2.gz CDUQGHLOCXNUNF-UHFFFAOYSA-N 1 0 382.869 2.633 20 0 GFADRO CCC[NH+]1CCC(NC(=O)[C@@H](C)NC(=O)c2ccc(Br)cc2)CC1 ZINC000503983203 565032813 /nfs/dbraw/zinc/03/28/13/565032813.db2.gz ADMUQSLTHPJROU-CYBMUJFWSA-N 1 0 396.329 2.558 20 0 GFADRO C[C@H](CO)[N@@H+]1CCCN(C(=O)[C@H](C)Oc2cc(Cl)cc(Cl)c2)CC1 ZINC000470058313 565036501 /nfs/dbraw/zinc/03/65/01/565036501.db2.gz AECAKNYDBTVVTC-OLZOCXBDSA-N 1 0 375.296 2.676 20 0 GFADRO O=S1(=O)CC[C@H]([NH2+][C@@H]2CCC[C@H](CO)C2)c2cc(Br)ccc21 ZINC000562736016 565040396 /nfs/dbraw/zinc/04/03/96/565040396.db2.gz ICQIXBWNVCXCNJ-LNSITVRQSA-N 1 0 388.327 2.808 20 0 GFADRO O=C(Cc1ccccc1I)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000470173691 565040853 /nfs/dbraw/zinc/04/08/53/565040853.db2.gz MNOOOPNIUOLYHA-OAHLLOKOSA-N 1 0 398.288 2.967 20 0 GFADRO C[NH+](C)CC1CCC(NC(=O)N[C@@H](CO)c2ccc(Br)cc2)CC1 ZINC000504816975 565044428 /nfs/dbraw/zinc/04/44/28/565044428.db2.gz DYBASUFOAHICLK-IMRCBTMISA-N 1 0 398.345 2.902 20 0 GFADRO C[N@H+]1C[C@H]2CN(C(=O)CSCc3ccc(Br)cc3F)C[C@H]2C1 ZINC000470445557 565046036 /nfs/dbraw/zinc/04/60/36/565046036.db2.gz WJKPKUWJLKFOLT-BETUJISGSA-N 1 0 387.318 2.841 20 0 GFADRO CO[C@@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)N1CCC[N@H+](C)CC1 ZINC000537008966 565051268 /nfs/dbraw/zinc/05/12/68/565051268.db2.gz XQACQSXUPZCXPZ-CZUORRHYSA-N 1 0 384.318 2.872 20 0 GFADRO Cc1cc(N2CC[C@@H]([NH2+]C[C@H](O)CC(F)(F)F)C2=O)ccc1Br ZINC000563013679 565052188 /nfs/dbraw/zinc/05/21/88/565052188.db2.gz LDYGWUCCTWEVRD-DGCLKSJQSA-N 1 0 395.219 2.766 20 0 GFADRO Cc1nc(-c2ccc([C@@H](C)[NH2+]CC3(O)CCS(=O)(=O)CC3)cc2)cs1 ZINC000537079309 565052445 /nfs/dbraw/zinc/05/24/45/565052445.db2.gz MGCLNYKRRBTGGO-CYBMUJFWSA-N 1 0 380.535 2.709 20 0 GFADRO C[C@H](O)C[N@@H+]1CCN(c2cc(C(F)(F)F)c(Br)cn2)[C@@H](C)C1 ZINC000563038568 565052590 /nfs/dbraw/zinc/05/25/90/565052590.db2.gz MMJDUOCWVIFPON-UWVGGRQHSA-N 1 0 382.224 2.754 20 0 GFADRO CN(CCOc1ccc(C(F)(F)F)cc1)C(=O)C[N@H+](C)[C@H]1CCSC1 ZINC000470729941 565053971 /nfs/dbraw/zinc/05/39/71/565053971.db2.gz MWHNCOHAHKJAQF-AWEZNQCLSA-N 1 0 376.444 2.980 20 0 GFADRO O=c1cc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCCOC2)nc2ccc(Br)cn12 ZINC000563066646 565054250 /nfs/dbraw/zinc/05/42/50/565054250.db2.gz ZDXLHVIPCVQUSL-CZUORRHYSA-N 1 0 392.297 2.848 20 0 GFADRO CC[NH+](CC)C[C@H](C)NC(=O)Nc1ccc(S(C)(=O)=O)c(C(F)F)c1 ZINC000537234886 565055880 /nfs/dbraw/zinc/05/58/80/565055880.db2.gz DHQASEWRUAVYIW-NSHDSACASA-N 1 0 377.457 2.880 20 0 GFADRO OC[C@H](Cc1ccc(F)cc1)[NH2+]C[C@H](O)COc1cccc(Br)c1 ZINC000563138099 565056858 /nfs/dbraw/zinc/05/68/58/565056858.db2.gz NEHGBOCLTVMDGJ-IRXDYDNUSA-N 1 0 398.272 2.521 20 0 GFADRO COc1ccc(I)c(NC(=O)N[C@@H](C)C[C@@H](C)[NH3+])c1 ZINC000563134377 565057004 /nfs/dbraw/zinc/05/70/04/565057004.db2.gz ZSIVRSIMHFSIQR-BDAKNGLRSA-N 1 0 377.226 2.547 20 0 GFADRO CC[N@@H+]1C[C@H](C)N(C(=O)c2cccnc2-n2cc(Br)cn2)C[C@@H]1C ZINC000563154809 565057585 /nfs/dbraw/zinc/05/75/85/565057585.db2.gz MMDBWVVKSQHRJS-STQMWFEESA-N 1 0 392.301 2.585 20 0 GFADRO C[C@@H]1CN(C(=O)c2cc(F)c(Cl)c(N)c2Cl)CC[N@@H+]1CC(C)(C)O ZINC000635834607 565076968 /nfs/dbraw/zinc/07/69/68/565076968.db2.gz OENLZBJBMPSVCE-SECBINFHSA-N 1 0 378.275 2.632 20 0 GFADRO COCCN(Cc1cc(Br)cs1)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC000635853365 565077714 /nfs/dbraw/zinc/07/77/14/565077714.db2.gz PHAQPUNDGONZOY-GFCCVEGCSA-N 1 0 375.332 2.827 20 0 GFADRO O=C(c1c(F)c(F)c(Br)c(F)c1F)N1CC[NH+]2CCC1CC2 ZINC000613861073 565084113 /nfs/dbraw/zinc/08/41/13/565084113.db2.gz JTCIETYPUKWELG-UHFFFAOYSA-N 1 0 381.167 2.926 20 0 GFADRO COc1cc(C(=O)NCC23CCC[NH+]2CCC3)cc(OC)c1Br ZINC000684847284 565085104 /nfs/dbraw/zinc/08/51/04/565085104.db2.gz KWEFFMZTEQLUDT-UHFFFAOYSA-N 1 0 383.286 2.825 20 0 GFADRO C[C@H](Cn1cc(Br)cn1)[NH2+]Cc1ccncc1OCCC[NH+](C)C ZINC000584553217 565088132 /nfs/dbraw/zinc/08/81/32/565088132.db2.gz KVJOAOXAEBQZMO-CQSZACIVSA-N 1 0 396.333 2.549 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C(=O)N1CC[C@H]([C@H](C)[NH3+])C1 ZINC000584589762 565089409 /nfs/dbraw/zinc/08/94/09/565089409.db2.gz PKYNSQRJANOTKE-AAEUAGOBSA-N 1 0 377.286 2.753 20 0 GFADRO O[C@H](COc1c(Cl)cccc1Cl)C[N@@H+]1CCC[C@@H]1[C@H]1COCC[C@@H]1O ZINC000685005323 565093938 /nfs/dbraw/zinc/09/39/38/565093938.db2.gz JEIWSGJHEZFREQ-IXKJSCDLSA-N 1 0 390.307 2.595 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH2+]C[C@H]1CCCNC1=O ZINC000657284416 565096040 /nfs/dbraw/zinc/09/60/40/565096040.db2.gz PXMYYDMGUSMEPK-CQSZACIVSA-N 1 0 391.313 2.867 20 0 GFADRO O=C(NCCC[NH2+]Cc1c(F)cncc1Br)c1cccc(O)c1 ZINC000657341203 565097849 /nfs/dbraw/zinc/09/78/49/565097849.db2.gz PBJYAYUZRIOCLL-UHFFFAOYSA-N 1 0 382.233 2.599 20 0 GFADRO NC(=O)[C@H](C[NH2+]Cc1c(F)cncc1Br)Cc1ccc(F)cc1 ZINC000657422730 565100432 /nfs/dbraw/zinc/10/04/32/565100432.db2.gz RMUAZGAWIZIUNF-NSHDSACASA-N 1 0 384.224 2.556 20 0 GFADRO CCS(=O)(=O)N1CCC(C[NH2+]Cc2cccc(F)c2OC(F)F)CC1 ZINC000657434518 565101249 /nfs/dbraw/zinc/10/12/49/565101249.db2.gz GPQFXZZNLJSLSY-UHFFFAOYSA-N 1 0 380.432 2.578 20 0 GFADRO O=C(NCC12CCC[NH+]1CCC2)c1cc(Br)cnc1OCC1CC1 ZINC000614223331 565102257 /nfs/dbraw/zinc/10/22/57/565102257.db2.gz AQHAYZNETMMUJY-UHFFFAOYSA-N 1 0 394.313 2.991 20 0 GFADRO Cc1c(Br)cccc1C[C@@H](CO)C[NH2+]Cc1cnc2n1CCC2 ZINC000657484988 565103123 /nfs/dbraw/zinc/10/31/23/565103123.db2.gz HYJAFTKJAUVBKA-CQSZACIVSA-N 1 0 378.314 2.841 20 0 GFADRO CS(=O)(=O)CC1CCC([NH2+]Cc2c(F)cncc2Br)CC1 ZINC000657477247 565103297 /nfs/dbraw/zinc/10/32/97/565103297.db2.gz JRPNDNUQULRYMT-UHFFFAOYSA-N 1 0 379.295 2.676 20 0 GFADRO CS(=O)(=O)N[C@H]1CCCC[C@H]1C[NH2+]Cc1cccc(F)c1OC(F)F ZINC000657464964 565103529 /nfs/dbraw/zinc/10/35/29/565103529.db2.gz UHUXCJQOKCNTJT-FZMZJTMJSA-N 1 0 380.432 2.625 20 0 GFADRO O=C(NC1CC([NH+]2CCCCC2)C1)c1cc(Br)cc2[nH]c(=O)[nH]c21 ZINC000614282022 565105569 /nfs/dbraw/zinc/10/55/69/565105569.db2.gz OWWGPOGFOIMBEJ-UHFFFAOYSA-N 1 0 393.285 2.778 20 0 GFADRO C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)Nc1cccc(Br)c1F ZINC000657522686 565105622 /nfs/dbraw/zinc/10/56/22/565105622.db2.gz AYGYEBPSXQWXEX-LLVKDONJSA-N 1 0 386.265 2.517 20 0 GFADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+][C@H]1COC(C)(C)C1 ZINC000657529956 565105670 /nfs/dbraw/zinc/10/56/70/565105670.db2.gz CADXDEOBRWQDDG-BXUZGUMPSA-N 1 0 385.302 2.620 20 0 GFADRO COc1ccc(C[NH2+]CCC2(CS(C)(=O)=O)CC2)cc1Br ZINC000657546407 565107671 /nfs/dbraw/zinc/10/76/71/565107671.db2.gz SJKXLWCGCCUFAV-UHFFFAOYSA-N 1 0 376.316 2.762 20 0 GFADRO CC[C@@H]1C[N@H+](C)CCCN1C(=O)c1cnc2ncc(Br)cc2c1 ZINC000614343706 565108325 /nfs/dbraw/zinc/10/83/25/565108325.db2.gz YFGRLWRXLJMDHD-OAHLLOKOSA-N 1 0 377.286 2.949 20 0 GFADRO COc1ccc(C[NH2+]CCNC(=O)c2ccc(Br)cn2)cc1F ZINC000657561881 565108720 /nfs/dbraw/zinc/10/87/20/565108720.db2.gz DGKNBBWQSIJNGY-UHFFFAOYSA-N 1 0 382.233 2.511 20 0 GFADRO COc1cc(C[NH2+]CCNC(=O)c2ccc(Br)cn2)ccc1C ZINC000657561841 565108827 /nfs/dbraw/zinc/10/88/27/565108827.db2.gz ABMJDPQMEYGNAW-UHFFFAOYSA-N 1 0 378.270 2.681 20 0 GFADRO Cc1n[nH]cc1[C@@H](C)[NH2+]CC(=O)Nc1ccc(I)cc1 ZINC000585765392 565110243 /nfs/dbraw/zinc/11/02/43/565110243.db2.gz ATRIMVHCOLTGJH-SECBINFHSA-N 1 0 384.221 2.612 20 0 GFADRO COc1ccc(Sc2nsc(NC(=O)N[C@@H]3CCC[N@H+](C)C3)n2)cc1 ZINC000685553199 565111825 /nfs/dbraw/zinc/11/18/25/565111825.db2.gz ANGFKQRUSSSUTG-LLVKDONJSA-N 1 0 379.511 2.914 20 0 GFADRO C[N@H+](C[C@H](O)CN1CCc2[nH]c3c(cccc3Br)c2C1)C1CC1 ZINC000685568048 565112189 /nfs/dbraw/zinc/11/21/89/565112189.db2.gz YUBIYJXRXCBXQS-ZDUSSCGKSA-N 1 0 378.314 2.744 20 0 GFADRO O=C(Nc1cccc(Br)c1F)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000657628890 565114037 /nfs/dbraw/zinc/11/40/37/565114037.db2.gz ADBMIYDQQNIGKJ-GFCCVEGCSA-N 1 0 398.276 2.614 20 0 GFADRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)Cc1cccc(I)c1 ZINC000586827676 565118185 /nfs/dbraw/zinc/11/81/85/565118185.db2.gz VCTIAWMUXRVBJQ-XJKSGUPXSA-N 1 0 398.288 2.919 20 0 GFADRO C[NH+]1CCC(CNC(=O)N[C@@H]2[C@@H]3Cc4c(cccc4Br)[C@@H]32)CC1 ZINC000636731877 565122968 /nfs/dbraw/zinc/12/29/68/565122968.db2.gz DIJAFLFZMZIZRS-HYVNUMGLSA-N 1 0 378.314 2.728 20 0 GFADRO Oc1ccc(Br)c(C[NH2+][C@@H]2C[C@@H](N3CCOCC3)C23CCC3)c1 ZINC000657747805 565126001 /nfs/dbraw/zinc/12/60/01/565126001.db2.gz RNJWVCSAZAIDEV-IAGOWNOFSA-N 1 0 381.314 2.888 20 0 GFADRO Cc1ccc(S(=O)(=O)NCC[NH2+]CCc2ccc(F)cc2Cl)s1 ZINC000685842350 565126908 /nfs/dbraw/zinc/12/69/08/565126908.db2.gz SDVVYQWWSWZOCY-UHFFFAOYSA-N 1 0 376.906 2.960 20 0 GFADRO COCCN(Cc1cc(Br)cs1)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000636989483 565133574 /nfs/dbraw/zinc/13/35/74/565133574.db2.gz WQHCMVTZFQNJPY-CYBMUJFWSA-N 1 0 390.347 2.811 20 0 GFADRO Cc1c(F)c(Br)ccc1NC(=O)C(=O)N(C)CCCC[NH+](C)C ZINC000657849311 565133869 /nfs/dbraw/zinc/13/38/69/565133869.db2.gz HADXGNSIJAOGMN-UHFFFAOYSA-N 1 0 388.281 2.635 20 0 GFADRO C[NH+](C)C[C@@H](NC(=O)NC[C@H]1CCCC(=O)N1)c1ccc(Cl)c(Cl)c1 ZINC000637101094 565139220 /nfs/dbraw/zinc/13/92/20/565139220.db2.gz AIYDQZBFCDBJHF-IUODEOHRSA-N 1 0 387.311 2.564 20 0 GFADRO Cc1cc(N2CCC[C@H]([NH2+][C@@H](C)Cn3cncn3)C2=O)ccc1Br ZINC000657977195 565141283 /nfs/dbraw/zinc/14/12/83/565141283.db2.gz WVCBOKYCCAECFQ-BBRMVZONSA-N 1 0 392.301 2.523 20 0 GFADRO COC[C@H](OC)C(=O)N(Cc1ccccc1Br)C1CC[NH+](C)CC1 ZINC000614981584 565141306 /nfs/dbraw/zinc/14/13/06/565141306.db2.gz JUCVLDRFDUUXCF-KRWDZBQOSA-N 1 0 399.329 2.533 20 0 GFADRO COC[C@@](C)(O)CCNC(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000637181632 565143646 /nfs/dbraw/zinc/14/36/46/565143646.db2.gz IFXVFWYWLJNNJH-RDJZCZTQSA-N 1 0 392.327 2.683 20 0 GFADRO CC1(C)CCC[N@@H+]1CCNC(=O)C(=O)Nc1cccc(Br)c1F ZINC000658000951 565144650 /nfs/dbraw/zinc/14/46/50/565144650.db2.gz HMTLZMFEOPMJRR-UHFFFAOYSA-N 1 0 386.265 2.517 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCN(S(C)(=O)=O)C1)c1ccc(Br)c(Cl)c1 ZINC000658048425 565147963 /nfs/dbraw/zinc/14/79/63/565147963.db2.gz XIQSEUBXPSQJND-GXSJLCMTSA-N 1 0 381.723 2.787 20 0 GFADRO COc1ccc([C@@H](C)[NH2+]CCNC(=O)c2ccc(Br)cn2)cc1 ZINC000658091155 565148781 /nfs/dbraw/zinc/14/87/81/565148781.db2.gz BRMXCVACFSMMOT-GFCCVEGCSA-N 1 0 378.270 2.933 20 0 GFADRO Cc1ccc(Br)c(NC(=O)C(=O)NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)c1 ZINC000658121670 565150290 /nfs/dbraw/zinc/15/02/90/565150290.db2.gz PSODHJMSZVPWSI-ZDUSSCGKSA-N 1 0 396.329 2.933 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)C(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C ZINC000658121448 565150481 /nfs/dbraw/zinc/15/04/81/565150481.db2.gz ABVQNOFJMBAEKA-CYBMUJFWSA-N 1 0 382.302 2.685 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)cc1Br ZINC000658127064 565152279 /nfs/dbraw/zinc/15/22/79/565152279.db2.gz UKVBIRODLIYIBG-CYBMUJFWSA-N 1 0 396.329 2.993 20 0 GFADRO CC[C@H](CCc1ccc(Br)cc1)[NH2+]C[C@]1(OCCO)CCOC1 ZINC000658150196 565153467 /nfs/dbraw/zinc/15/34/67/565153467.db2.gz YMYRAFQHAIFQNE-QZTJIDSGSA-N 1 0 386.330 2.918 20 0 GFADRO C[N@@H+]1CCC[C@H]1[C@@H]1COCCN1C(=O)CCc1cccc(F)c1Br ZINC000615268206 565155072 /nfs/dbraw/zinc/15/50/72/565155072.db2.gz URZODHWGZGIWCK-HOTGVXAUSA-N 1 0 399.304 2.842 20 0 GFADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@@H]1CCC[C@H]1Cc1cnn(C)c1 ZINC000658233364 565156357 /nfs/dbraw/zinc/15/63/57/565156357.db2.gz KMMUMSFIIGLGKZ-UKPHBRMFSA-N 1 0 393.329 2.734 20 0 GFADRO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)c1ccc(-n2cc(Br)cn2)cc1 ZINC000615314736 565157560 /nfs/dbraw/zinc/15/75/60/565157560.db2.gz VRGUAIPJURDUOI-MLGOLLRUSA-N 1 0 377.286 2.799 20 0 GFADRO C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1cn(Cc2ccc(Cl)cc2Cl)nn1 ZINC000615317322 565157692 /nfs/dbraw/zinc/15/76/92/565157692.db2.gz BUJHLNPYSPQCEU-ZBEGNZNMSA-N 1 0 382.295 2.798 20 0 GFADRO C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)CCNC(=O)Nc1ccc(Br)cc1 ZINC000615311746 565158015 /nfs/dbraw/zinc/15/80/15/565158015.db2.gz IXDAIVJZUVZWMZ-SWLSCSKDSA-N 1 0 397.317 2.512 20 0 GFADRO COC(=O)[C@@H](NC(=O)C[NH2+][C@H](C)c1ccc(F)c(Br)c1)C(C)C ZINC000589258949 565158445 /nfs/dbraw/zinc/15/84/45/565158445.db2.gz HEZSZXQDUKVWCH-BMIGLBTASA-N 1 0 389.265 2.553 20 0 GFADRO CC(C)[NH2+]CCCNC(=O)N[C@H]1CCN(c2ccccc2Br)C1 ZINC000637504178 565160468 /nfs/dbraw/zinc/16/04/68/565160468.db2.gz YQMMBISIPBDLOB-AWEZNQCLSA-N 1 0 383.334 2.715 20 0 GFADRO [NH3+]C1(CNS(=O)(=O)Cc2cc(F)ccc2Br)CCCCC1 ZINC000658359624 565161529 /nfs/dbraw/zinc/16/15/29/565161529.db2.gz CPIRMWLZFCNKLB-UHFFFAOYSA-N 1 0 379.295 2.669 20 0 GFADRO [NH3+]C1(CNS(=O)(=O)c2cc(Cl)c(Cl)cc2Br)CCC1 ZINC000658374513 565163698 /nfs/dbraw/zinc/16/36/98/565163698.db2.gz WYRVYYKXBKUTPY-UHFFFAOYSA-N 1 0 388.114 2.916 20 0 GFADRO Cc1c(C(=O)N2CC(C[NH+](C)C)C2)cnn1-c1ccc(Br)cc1 ZINC000615511958 565163917 /nfs/dbraw/zinc/16/39/17/565163917.db2.gz KVZAIEGLYOZGSE-UHFFFAOYSA-N 1 0 377.286 2.577 20 0 GFADRO [NH3+][C@H]1CCO[C@@H](C2CCN(S(=O)(=O)Cc3cc(F)ccc3Cl)CC2)C1 ZINC000658382458 565165975 /nfs/dbraw/zinc/16/59/75/565165975.db2.gz KNQHFJNJXKBNGX-DOTOQJQBSA-N 1 0 390.908 2.527 20 0 GFADRO [NH3+]CC12CCC(CC1)CN2S(=O)(=O)c1cc(Cl)cc(Br)c1 ZINC000658384801 565166018 /nfs/dbraw/zinc/16/60/18/565166018.db2.gz LJVZQEQFZKIUPA-UHFFFAOYSA-N 1 0 393.734 2.995 20 0 GFADRO CCCOc1ccc(Br)cc1S(=O)(=O)N(C)CC(C)(C)[NH3+] ZINC000658389247 565167251 /nfs/dbraw/zinc/16/72/51/565167251.db2.gz SEWSIKIWUGYPHT-UHFFFAOYSA-N 1 0 379.320 2.596 20 0 GFADRO O=S(=O)(N[C@H]1CC[NH2+]C2(CCC2)C1)c1cccc(Br)c1F ZINC000658402452 565167777 /nfs/dbraw/zinc/16/77/77/565167777.db2.gz OMJNDMIDLPRUPE-JTQLQIEISA-N 1 0 377.279 2.541 20 0 GFADRO O=S(=O)(N[C@@H]1CC[NH2+]C2(CCC2)C1)c1cccc(OC(F)(F)F)c1F ZINC000658402247 565168235 /nfs/dbraw/zinc/16/82/35/565168235.db2.gz LLWHABGINJOLGE-SNVBAGLBSA-N 1 0 382.379 2.677 20 0 GFADRO C[C@@H]1CCN(S(=O)(=O)c2cccc(Cl)c2Br)[C@H](C[NH3+])C1 ZINC000658399232 565168347 /nfs/dbraw/zinc/16/83/47/565168347.db2.gz OOBDAWWWFGXROG-ZJUUUORDSA-N 1 0 381.723 2.850 20 0 GFADRO Cc1cc(Cl)cc(NC(=O)C(=O)NCC[C@H](C)[NH+](C)C)c1Br ZINC000658426043 565169060 /nfs/dbraw/zinc/16/90/60/565169060.db2.gz GDGZPHITNMZNED-JTQLQIEISA-N 1 0 390.709 2.806 20 0 GFADRO C[NH2+]C[C@@H](C)NS(=O)(=O)c1ccc(Br)c(Cl)c1Cl ZINC000658411787 565169502 /nfs/dbraw/zinc/16/95/02/565169502.db2.gz QZBSOTCHDWROMM-ZCFIWIBFSA-N 1 0 376.103 2.642 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3c(F)c(F)c(Br)c(F)c3F)C[C@@H]21 ZINC000615849503 565178613 /nfs/dbraw/zinc/17/86/13/565178613.db2.gz JTTUGNPRJDJJET-RQJHMYQMSA-N 1 0 381.167 2.782 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NCc2ccc(Cl)c(Cl)c2)C[C@@H]1C ZINC000658617841 565178843 /nfs/dbraw/zinc/17/88/43/565178843.db2.gz NNHXJACUYXKRPE-JSGCOSHPSA-N 1 0 386.323 2.941 20 0 GFADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1C[C@@H]1c1cccc(Br)c1 ZINC000590117713 565179108 /nfs/dbraw/zinc/17/91/08/565179108.db2.gz XHBNOQPGLUZVNW-ZACQAIPSSA-N 1 0 381.314 2.780 20 0 GFADRO O=C(NCCOc1cccc(Br)c1)N1CC[NH+](CC2CC2)CC1 ZINC000615906234 565179517 /nfs/dbraw/zinc/17/95/17/565179517.db2.gz MVNBROBCELFIOM-UHFFFAOYSA-N 1 0 382.302 2.565 20 0 GFADRO CCn1ccnc1[C@H](C)NC(=O)c1cc(Br)cc2c1OCCO2 ZINC000615960133 565181188 /nfs/dbraw/zinc/18/11/88/565181188.db2.gz JRZXPTSEBNTMHW-JTQLQIEISA-N 1 0 380.242 2.928 20 0 GFADRO CC(C)[C@@H]([NH3+])CNC(=O)N1CCc2[nH]c3c(cccc3Br)c2C1 ZINC000638061114 565183893 /nfs/dbraw/zinc/18/38/93/565183893.db2.gz BPHLREDMECYHTO-AWEZNQCLSA-N 1 0 379.302 2.981 20 0 GFADRO C[C@@H](C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1c(Cl)cccc1Cl ZINC000590315898 565184768 /nfs/dbraw/zinc/18/47/68/565184768.db2.gz JZJKTRQINPNEKW-CHWSQXEVSA-N 1 0 386.323 2.801 20 0 GFADRO Cc1cc(C[NH3+])oc1C(=O)N[C@@H]1CCN(c2ccccc2Br)C1 ZINC000638110534 565184893 /nfs/dbraw/zinc/18/48/93/565184893.db2.gz MSAMOFGAGNTWHG-GFCCVEGCSA-N 1 0 378.270 2.818 20 0 GFADRO Cc1cc(C[NH3+])oc1C(=O)N[C@H]1CCN(c2ccccc2Br)C1 ZINC000638110535 565184906 /nfs/dbraw/zinc/18/49/06/565184906.db2.gz MSAMOFGAGNTWHG-LBPRGKRZSA-N 1 0 378.270 2.818 20 0 GFADRO O=C(NCC1=CC[NH2+]CC1)c1scc(Br)c1Br ZINC000638175711 565187867 /nfs/dbraw/zinc/18/78/67/565187867.db2.gz KSLFGQLXQBASFR-UHFFFAOYSA-N 1 0 380.105 2.923 20 0 GFADRO [NH3+]C[C@]1(C(=O)N2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)CCCOC1 ZINC000638293285 565190042 /nfs/dbraw/zinc/19/00/42/565190042.db2.gz LYXIGFOSZQUKMO-XHDPSFHLSA-N 1 0 377.432 2.623 20 0 GFADRO CC[N@H+](CCC1CCN(Cc2ccc(S(N)(=O)=O)s2)CC1)CC1CC1 ZINC000638276587 565190044 /nfs/dbraw/zinc/19/00/44/565190044.db2.gz SRBKIHZBHDCAIE-UHFFFAOYSA-N 1 0 385.599 2.730 20 0 GFADRO O=C(c1cc(Br)c2nccn2c1)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000638329851 565192160 /nfs/dbraw/zinc/19/21/60/565192160.db2.gz PTHDVKXXHVHTGH-SWLSCSKDSA-N 1 0 377.286 2.701 20 0 GFADRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCO[C@H]2c2cncc(Br)c2)C1 ZINC000616153796 565192792 /nfs/dbraw/zinc/19/27/92/565192792.db2.gz BXJASDIAQWUOHV-BBWFWOEESA-N 1 0 396.329 2.863 20 0 GFADRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)c2cc(Br)cc3c2OCCO3)C1 ZINC000616157375 565192990 /nfs/dbraw/zinc/19/29/90/565192990.db2.gz SCHQPPKKBJILFZ-ZDUSSCGKSA-N 1 0 383.286 2.775 20 0 GFADRO [NH3+]Cc1ncc(C(=O)N2CCCC[C@H]2Cc2cccc(Br)c2)cn1 ZINC000638358619 565194272 /nfs/dbraw/zinc/19/42/72/565194272.db2.gz GXCPDFRNSVXGTE-INIZCTEOSA-N 1 0 389.297 2.935 20 0 GFADRO C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)N(C)Cc1ccc(Br)o1 ZINC000638382643 565194329 /nfs/dbraw/zinc/19/43/29/565194329.db2.gz YGXCADOCTBDSCA-BLLLJJGKSA-N 1 0 381.270 2.933 20 0 GFADRO C[C@H](COc1ccccc1C(F)(F)F)[NH2+]Cc1ccc(S(N)(=O)=O)o1 ZINC000638411508 565195250 /nfs/dbraw/zinc/19/52/50/565195250.db2.gz OHNFWGCMPNGXNH-SNVBAGLBSA-N 1 0 378.372 2.503 20 0 GFADRO CC[C@@H]1C[C@H]([NH2+]CC(=O)Nc2ccc(I)cc2)CCO1 ZINC000590653591 565195413 /nfs/dbraw/zinc/19/54/13/565195413.db2.gz WZONSAHNCBNSAM-ZIAGYGMSSA-N 1 0 388.249 2.777 20 0 GFADRO CCOc1cc(Br)c(CC(=O)N2CC[C@@H](C)[C@@H]([NH3+])C2)cc1OCC ZINC000658971287 565197479 /nfs/dbraw/zinc/19/74/79/565197479.db2.gz PDEGCVYWNNTEQG-DOMZBBRYSA-N 1 0 399.329 2.985 20 0 GFADRO [NH3+][C@@H]1CN(C(=O)Nc2cc(Br)ccc2-n2cccn2)CC[C@H]1F ZINC000658993011 565198243 /nfs/dbraw/zinc/19/82/43/565198243.db2.gz CSWOBGVYRCYSDV-VXGBXAGGSA-N 1 0 382.237 2.538 20 0 GFADRO COc1cc(C[NH2+]CCCNC(=O)c2cccc(Br)c2)sn1 ZINC000638475772 565198274 /nfs/dbraw/zinc/19/82/74/565198274.db2.gz GHVBWLAKMKOYCO-UHFFFAOYSA-N 1 0 384.299 2.824 20 0 GFADRO Cc1c(C(=O)N[C@@H]2CC[NH2+]C23CCC3)cnn1-c1cccc(Br)c1 ZINC000638503600 565198888 /nfs/dbraw/zinc/19/88/88/565198888.db2.gz SNKPXADACVOZHI-MRXNPFEDSA-N 1 0 389.297 2.958 20 0 GFADRO O=C(N[C@@H]1CC[NH2+]C12CCC2)c1ccc(-n2cc(Br)cn2)cc1 ZINC000638501385 565199164 /nfs/dbraw/zinc/19/91/64/565199164.db2.gz UPPRWXUDHHVIBO-OAHLLOKOSA-N 1 0 375.270 2.649 20 0 GFADRO Cc1c(C(=O)N[C@H]2CC[NH2+]C23CCC3)cnn1-c1cccc(Br)c1 ZINC000638503599 565199261 /nfs/dbraw/zinc/19/92/61/565199261.db2.gz SNKPXADACVOZHI-INIZCTEOSA-N 1 0 389.297 2.958 20 0 GFADRO C[C@H](NC(=O)C[NH2+]C[C@@H]1CCCO1)c1cc(F)c(Br)cc1F ZINC000638495118 565199380 /nfs/dbraw/zinc/19/93/80/565199380.db2.gz MCROASRZMDFVQX-UWVGGRQHSA-N 1 0 377.229 2.673 20 0 GFADRO C[C@@H](NC(=O)COC1CC[NH2+]CC1)c1cc(F)c(Br)cc1F ZINC000638496669 565199498 /nfs/dbraw/zinc/19/94/98/565199498.db2.gz ZSFBWQVUBGDXME-SECBINFHSA-N 1 0 377.229 2.673 20 0 GFADRO [NH3+]CC12CC(C1)CN2C(=O)Nc1ccnn1Cc1cccc(Br)c1 ZINC000659010519 565199539 /nfs/dbraw/zinc/19/95/39/565199539.db2.gz YZLGIXNFLQXXCB-UHFFFAOYSA-N 1 0 390.285 2.649 20 0 GFADRO Cc1cc(Br)c(Cl)cc1NC(=O)N1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000659029793 565199570 /nfs/dbraw/zinc/19/95/70/565199570.db2.gz ZQRUOPTZEWQCQU-NOZJJQNGSA-N 1 0 376.682 2.991 20 0 GFADRO COc1ccc(CC[NH2+]Cc2cnn3cc(Br)cnc23)cc1F ZINC000638517387 565200176 /nfs/dbraw/zinc/20/01/76/565200176.db2.gz UFOULCZIGVFAPO-UHFFFAOYSA-N 1 0 379.233 2.972 20 0 GFADRO CSc1cc(Cl)ccc1NC(=O)C(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000659084736 565200625 /nfs/dbraw/zinc/20/06/25/565200625.db2.gz MTIBPFIHZMZZSM-ZDUSSCGKSA-N 1 0 381.929 2.849 20 0 GFADRO O=C(CNC(=O)c1sc2ccccc2c1Cl)N[C@@H]1CC[NH2+]C12CCC2 ZINC000638510358 565200596 /nfs/dbraw/zinc/20/05/96/565200596.db2.gz WQVGPMBIVWJWLM-CYBMUJFWSA-N 1 0 377.897 2.685 20 0 GFADRO CCN(CC)S(=O)(=O)c1ccc(CC[NH2+]Cc2cnc(OC)s2)s1 ZINC000638532172 565200765 /nfs/dbraw/zinc/20/07/65/565200765.db2.gz MBURDDDYJNIHSI-UHFFFAOYSA-N 1 0 389.568 2.576 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)C(=O)c2ccc(Br)cc2)CC[C@@H]1C(F)(F)F ZINC000638549026 565201446 /nfs/dbraw/zinc/20/14/46/565201446.db2.gz MNIJYTVBCLLJQS-JQWIXIFHSA-N 1 0 393.203 2.618 20 0 GFADRO [NH3+]Cc1cccc2c1N(C(=O)COc1ccc(Br)cn1)CCC2 ZINC000638542704 565201475 /nfs/dbraw/zinc/20/14/75/565201475.db2.gz HGGGOGRYKCGQSY-UHFFFAOYSA-N 1 0 376.254 2.661 20 0 GFADRO O=C(Nc1ccc(Br)cc1)C(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000659092622 565201685 /nfs/dbraw/zinc/20/16/85/565201685.db2.gz SXIPZESLSYEFSA-AWEZNQCLSA-N 1 0 394.313 2.626 20 0 GFADRO C[NH2+]CCOCCNC(=O)c1cccnc1Oc1ccc(Br)cc1 ZINC000638578873 565202588 /nfs/dbraw/zinc/20/25/88/565202588.db2.gz UDTLZEMCQRXKNF-UHFFFAOYSA-N 1 0 394.269 2.602 20 0 GFADRO C[NH2+]CCOCCN(C)C(=O)c1ccc(Br)c(C(F)(F)F)c1 ZINC000638592502 565204004 /nfs/dbraw/zinc/20/40/04/565204004.db2.gz FOIZOHSAVCDHGG-UHFFFAOYSA-N 1 0 383.208 2.776 20 0 GFADRO C[C@H](CC(=O)Nc1ccc2c(c1)OCC[NH2+]C2)n1cc(Br)cn1 ZINC000638670073 565206935 /nfs/dbraw/zinc/20/69/35/565206935.db2.gz CENUONZOGBWEJN-LLVKDONJSA-N 1 0 379.258 2.717 20 0 GFADRO CC1(C)CN(C(=O)c2cn(CCCC[NH3+])nn2)c2ccc(Br)cc21 ZINC000638688984 565207414 /nfs/dbraw/zinc/20/74/14/565207414.db2.gz KQRCMGIKELQFJP-UHFFFAOYSA-N 1 0 392.301 2.718 20 0 GFADRO COc1ccc(Br)cc1[C@@H]1CCCN1C(=O)[C@@H]([NH3+])COC(C)C ZINC000659253571 565209200 /nfs/dbraw/zinc/20/92/00/565209200.db2.gz QFAQRUZRNIYJKL-GJZGRUSLSA-N 1 0 385.302 2.874 20 0 GFADRO Cc1cc(COc2ccc(C(=O)N[C@@H]3CC[NH2+][C@H]3C)cc2Br)no1 ZINC000638770036 565210275 /nfs/dbraw/zinc/21/02/75/565210275.db2.gz AZXTYFDXUPZHPK-XHDPSFHLSA-N 1 0 394.269 2.805 20 0 GFADRO Cc1cc(Br)ccc1C(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000638779567 565210301 /nfs/dbraw/zinc/21/03/01/565210301.db2.gz VEQIWJCSZBLDEJ-MRXNPFEDSA-N 1 0 381.314 2.988 20 0 GFADRO CNC(=O)C(C)(C)C[NH2+][C@H]1CCN(C)[C@@H](c2ccc(Br)cc2)C1 ZINC000638792449 565211524 /nfs/dbraw/zinc/21/15/24/565211524.db2.gz XDDTXOWHFQJCTL-JKSUJKDBSA-N 1 0 382.346 2.946 20 0 GFADRO COC[C@]1(CNC(=O)c2cc(Br)cc(N3CCCC3)c2)CCC[NH2+]1 ZINC000659305851 565212048 /nfs/dbraw/zinc/21/20/48/565212048.db2.gz ABJMUUYMTLCRIE-GOSISDBHSA-N 1 0 396.329 2.548 20 0 GFADRO [NH3+]C[C@H](NC(=O)c1cc(Br)cc2c1OCCO2)C1CCCCC1 ZINC000659298222 565212099 /nfs/dbraw/zinc/21/20/99/565212099.db2.gz XZGXEXFOPXYVKW-AWEZNQCLSA-N 1 0 383.286 2.858 20 0 GFADRO CC1(C)C[NH2+][C@@H]1C(=O)N1CC2(CCOCC2)c2ccc(Br)cc21 ZINC000638842446 565214491 /nfs/dbraw/zinc/21/44/91/565214491.db2.gz RJPLZNGJWIKOGH-OAHLLOKOSA-N 1 0 379.298 2.842 20 0 GFADRO C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000659389360 565215389 /nfs/dbraw/zinc/21/53/89/565215389.db2.gz MEYVLKFXQSSAOA-GGZOMVNGSA-N 1 0 379.657 2.768 20 0 GFADRO C[N@@H+]1CC[C@@H](CNc2ccc3nnc(-c4cc(Cl)cc(Cl)c4)n3n2)C1 ZINC000591079259 565215417 /nfs/dbraw/zinc/21/54/17/565215417.db2.gz AUWCZIOGRIZUDC-NSHDSACASA-N 1 0 377.279 3.462 20 0 GFADRO C[C@H](Oc1ccc(Cl)cc1Br)C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000659389361 565215492 /nfs/dbraw/zinc/21/54/92/565215492.db2.gz MEYVLKFXQSSAOA-XXILOJSOSA-N 1 0 379.657 2.768 20 0 GFADRO [NH3+][C@H](CCNC(=O)c1sc2c(c1Br)CNC2)Cc1ccccc1 ZINC000638883275 565215931 /nfs/dbraw/zinc/21/59/31/565215931.db2.gz ZLORBECOINBCEQ-GFCCVEGCSA-N 1 0 394.338 2.804 20 0 GFADRO C[N@@H+]1CC[C@H](CNC(=O)CSc2nnc(-c3cccs3)n2C2CC2)C1 ZINC000591100884 565216524 /nfs/dbraw/zinc/21/65/24/565216524.db2.gz KCAFOGMWBCJFFR-GFCCVEGCSA-N 1 0 377.539 2.502 20 0 GFADRO C[C@@H](NC(=O)NCc1nc(C[NH3+])cc(=O)[nH]1)c1cc(F)c(Cl)cc1Cl ZINC000659426665 565217275 /nfs/dbraw/zinc/21/72/75/565217275.db2.gz ACPDVDDYNHARIL-SSDOTTSWSA-N 1 0 388.230 2.647 20 0 GFADRO O=C(CCc1nc2cc(Br)ccc2s1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638925673 565218096 /nfs/dbraw/zinc/21/80/96/565218096.db2.gz SAHBMJWDYOSPEN-TXEJJXNPSA-N 1 0 380.311 2.954 20 0 GFADRO CN(CC(C)(C)[NH3+])C(=O)N[C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O ZINC000659484290 565218023 /nfs/dbraw/zinc/21/80/23/565218023.db2.gz JDXMXKBDWMXNKF-CYBMUJFWSA-N 1 0 387.311 2.868 20 0 GFADRO Cc1cc(COc2ccc(C(=O)N3C[C@@H]([NH3+])C[C@H]3C)cc2Br)no1 ZINC000638938986 565218419 /nfs/dbraw/zinc/21/84/19/565218419.db2.gz OQNGHEXHAIWMCV-MFKMUULPSA-N 1 0 394.269 2.886 20 0 GFADRO CC(C)([NH3+])c1nocc1C(=O)N[C@@H]1[C@H]2Cc3cc(Br)ccc3[C@@H]12 ZINC000638944132 565218989 /nfs/dbraw/zinc/21/89/89/565218989.db2.gz ZQPGTZBEWPGTEJ-IACUBPJLSA-N 1 0 376.254 2.699 20 0 GFADRO CC(C)C[C@@H](C[NH3+])NC(=O)N1CCOC[C@@H]1c1ccc(Br)cc1 ZINC000659523206 565219414 /nfs/dbraw/zinc/21/94/14/565219414.db2.gz QMTNRZULJFUPQY-JKSUJKDBSA-N 1 0 384.318 2.905 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)N2CCOC[C@@H]2c2ccc(Br)cc2)CC[NH2+]1 ZINC000659544698 565220196 /nfs/dbraw/zinc/22/01/96/565220196.db2.gz XIQWJGFPMUHAQU-DAXOMENPSA-N 1 0 382.302 2.673 20 0 GFADRO [NH3+]C[C@@H]1CCCN(C(=O)Nc2cc(F)c(I)c(F)c2)C1 ZINC000591284677 565220950 /nfs/dbraw/zinc/22/09/50/565220950.db2.gz FXLLPTRXUPONOI-QMMMGPOBSA-N 1 0 395.191 2.772 20 0 GFADRO O[C@@H](CCc1ccccc1)C[NH2+]Cc1cnn2cc(Br)cnc12 ZINC000639040205 565222007 /nfs/dbraw/zinc/22/20/07/565222007.db2.gz DYRRDVGXRFJKGQ-INIZCTEOSA-N 1 0 375.270 2.575 20 0 GFADRO Cc1cc(I)cc(NC(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c1 ZINC000591306824 565222914 /nfs/dbraw/zinc/22/29/14/565222914.db2.gz NMLGJHIGKVVVKO-BPNCWPANSA-N 1 0 385.249 2.801 20 0 GFADRO C[C@@]1(C[NH2+]Cc2ccc(S(N)(=O)=O)s2)CCCN1Cc1ccccc1 ZINC000639070645 565223179 /nfs/dbraw/zinc/22/31/79/565223179.db2.gz CHGNQPZBPUAVNH-SFHVURJKSA-N 1 0 379.551 2.540 20 0 GFADRO CCn1c(C[NH2+]C[C@@H](OC)[C@H]2CCOC2)nc2cc(Br)ccc21 ZINC000639103496 565224509 /nfs/dbraw/zinc/22/45/09/565224509.db2.gz PJXGWRHDSYNQMO-BLLLJJGKSA-N 1 0 382.302 2.960 20 0 GFADRO O=C1[C@H]([NH2+]C2CC(n3cccn3)C2)CCN1c1cccc(Br)c1 ZINC000639111838 565225781 /nfs/dbraw/zinc/22/57/81/565225781.db2.gz ZVYPUHSSZYVFDB-AVVWSFFYSA-N 1 0 375.270 2.744 20 0 GFADRO COc1ncc(Br)cc1CN1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000659839090 565226813 /nfs/dbraw/zinc/22/68/13/565226813.db2.gz RPIVVCQEMLQKNT-INIZCTEOSA-N 1 0 384.318 2.539 20 0 GFADRO CCC[N@H+](C)[C@H](CNCc1ccc(S(N)(=O)=O)o1)c1ccc(Cl)cc1 ZINC000639157717 565230141 /nfs/dbraw/zinc/23/01/41/565230141.db2.gz QRSPVYPPOLPZNR-MRXNPFEDSA-N 1 0 385.917 2.753 20 0 GFADRO Cc1ccc(Br)c(S(=O)(=O)NCC[NH2+][C@@H](C)[C@@H]2CC2(F)F)c1 ZINC000639166496 565230771 /nfs/dbraw/zinc/23/07/71/565230771.db2.gz LQPUKROYNAAJPX-QWRGUYRKSA-N 1 0 397.285 2.669 20 0 GFADRO COC(=O)c1cccc(NC(=O)N[C@H]2CC[N@H+](CC3CC3)C2)c1Br ZINC000617292897 565231795 /nfs/dbraw/zinc/23/17/95/565231795.db2.gz CCTMHHLQPKFCKD-LBPRGKRZSA-N 1 0 396.285 2.842 20 0 GFADRO C[N@H+](CCCO)C1CCN(Cc2ncc(Br)cc2Cl)CC1 ZINC000659929929 565234085 /nfs/dbraw/zinc/23/40/85/565234085.db2.gz AHUSQBGIDQXVJI-UHFFFAOYSA-N 1 0 376.726 2.776 20 0 GFADRO CN1CC[C@H]([NH2+][C@H](CO)[C@@H]2CCCOC2)C[C@@H]1c1ccc(Br)cc1 ZINC000639268085 565235679 /nfs/dbraw/zinc/23/56/79/565235679.db2.gz UZMWSHNHJLDCCF-QXCFHYIPSA-N 1 0 397.357 2.962 20 0 GFADRO COC(=O)c1cc(NC(=O)[C@H]2C[NH2+]CCC2(F)F)cc(Br)c1F ZINC000591685706 565236257 /nfs/dbraw/zinc/23/62/57/565236257.db2.gz MHOXYAVPANYPPZ-SECBINFHSA-N 1 0 395.175 2.558 20 0 GFADRO O=C1C[C@H]([NH2+]C2CCN(Cc3cccc(Br)c3)CC2)CCCN1 ZINC000639270813 565236470 /nfs/dbraw/zinc/23/64/70/565236470.db2.gz CCIHENNIGKEQNH-QGZVFWFLSA-N 1 0 380.330 2.672 20 0 GFADRO Cc1ccc(CC(=O)N[C@@H](C)CN(C)CCC[NH+](C)C)c(Br)c1 ZINC000617503319 565242163 /nfs/dbraw/zinc/24/21/63/565242163.db2.gz DVQVSJUIFIMBRF-HNNXBMFYSA-N 1 0 384.362 2.688 20 0 GFADRO CCN(C(=O)c1cnn(-c2cccc(Br)c2)c1)[C@H]1CC[N@H+](C)C1 ZINC000617555287 565245274 /nfs/dbraw/zinc/24/52/74/565245274.db2.gz TVICJJWBUFPLLE-INIZCTEOSA-N 1 0 377.286 2.801 20 0 GFADRO C[NH+](C)Cc1ccc(S(=O)(=O)NCCc2nsc3ccccc23)cc1 ZINC000660056575 565246066 /nfs/dbraw/zinc/24/60/66/565246066.db2.gz JUNFDNMVZXIZFY-UHFFFAOYSA-N 1 0 375.519 2.879 20 0 GFADRO CC(C)[N@H+](C)C[C@@H](O)CN1CCc2[nH]c3ccc(Br)cc3c2C1 ZINC000660067694 565247251 /nfs/dbraw/zinc/24/72/51/565247251.db2.gz GJXKJHXQQSBTAN-CQSZACIVSA-N 1 0 380.330 2.990 20 0 GFADRO COCCOC1CC[NH+](C[C@@H](O)COc2cc(Cl)cc(Cl)c2)CC1 ZINC000639490789 565247677 /nfs/dbraw/zinc/24/76/77/565247677.db2.gz CVVBWASSZVANFC-OAHLLOKOSA-N 1 0 378.296 2.861 20 0 GFADRO COCCOC1CC[NH+](C[C@H](O)COc2cc(Cl)cc(Cl)c2)CC1 ZINC000639490788 565247929 /nfs/dbraw/zinc/24/79/29/565247929.db2.gz CVVBWASSZVANFC-HNNXBMFYSA-N 1 0 378.296 2.861 20 0 GFADRO CO[C@@H](C)c1noc(CN(C)C[C@@H](O)COc2cc(Cl)cc(Cl)c2)n1 ZINC000639509941 565248127 /nfs/dbraw/zinc/24/81/27/565248127.db2.gz QSFSKIRTKIJLIC-GXFFZTMASA-N 1 0 390.267 2.956 20 0 GFADRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C[C@H](O)COc1cc(Cl)cc(Cl)c1 ZINC000639601320 565251045 /nfs/dbraw/zinc/25/10/45/565251045.db2.gz OGXPPHGBLJPDNR-BBRMVZONSA-N 1 0 391.339 2.510 20 0 GFADRO Brc1ccc(C[N@@H+](CCc2cnccn2)CCn2ccnc2)o1 ZINC000639638676 565254293 /nfs/dbraw/zinc/25/42/93/565254293.db2.gz PPISBIPBRUWAPM-UHFFFAOYSA-N 1 0 376.258 2.774 20 0 GFADRO C[C@H](CCNC(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1)[NH+](C)C ZINC000617750025 565256466 /nfs/dbraw/zinc/25/64/66/565256466.db2.gz XHWVRINJFQANNC-CQSZACIVSA-N 1 0 386.945 2.883 20 0 GFADRO CN(CCC[NH+](C)C)CCNC(=O)c1cc(Br)cc2cccnc21 ZINC000617765873 565258228 /nfs/dbraw/zinc/25/82/28/565258228.db2.gz UGJBLQYSXMYFAL-UHFFFAOYSA-N 1 0 393.329 2.611 20 0 GFADRO C[C@@H](Cc1ccc(Br)cc1)C(=O)NCCN(C)CCC[NH+](C)C ZINC000617765931 565258374 /nfs/dbraw/zinc/25/83/74/565258374.db2.gz WKAUAQQILWDYQK-HNNXBMFYSA-N 1 0 384.362 2.627 20 0 GFADRO C[NH+](C)C[C@@]1(O)CCCN(Cc2ncc(-c3ccccc3Br)o2)C1 ZINC000639762158 565258633 /nfs/dbraw/zinc/25/86/33/565258633.db2.gz KEXZDGJNGGZYSP-SFHVURJKSA-N 1 0 394.313 2.993 20 0 GFADRO CN(CCC[NH+](C)C)CCNC(=O)c1ccc(Cl)c(Br)c1 ZINC000617765969 565258668 /nfs/dbraw/zinc/25/86/68/565258668.db2.gz XULZSWCOLJPDAE-UHFFFAOYSA-N 1 0 376.726 2.716 20 0 GFADRO C[NH+](C)CCC[C@@H]1CN(S(=O)(=O)c2cc(Cl)sc2Cl)CCO1 ZINC000660156336 565260652 /nfs/dbraw/zinc/26/06/52/565260652.db2.gz FRWLMVBDNBEUII-SNVBAGLBSA-N 1 0 387.354 2.786 20 0 GFADRO C[C@H](C[NH+](C)C)[C@H]1CCCCN1C(=O)Nc1nnc(CC(F)(F)F)s1 ZINC000639829910 565264668 /nfs/dbraw/zinc/26/46/68/565264668.db2.gz IDWNALREGRSXPQ-GHMZBOCLSA-N 1 0 379.452 3.227 20 0 GFADRO CN1CC(=O)N(CC[NH2+][C@H](c2ccc(Br)cc2)C2CCC2)C1=O ZINC000660190573 565265811 /nfs/dbraw/zinc/26/58/11/565265811.db2.gz UIBXPERPXHGZKW-INIZCTEOSA-N 1 0 380.286 2.774 20 0 GFADRO C[N@H+](C[C@H](O)COc1cc(Cl)cc(Cl)c1)C[C@@H]1CCNC(=O)CC1 ZINC000639918504 565266892 /nfs/dbraw/zinc/26/68/92/565266892.db2.gz LXIBTNGYGRCGRO-WFASDCNBSA-N 1 0 375.296 2.581 20 0 GFADRO C[N@@H+](Cc1ccc(Br)cc1F)C[C@H](O)COC[C@H]1CCCO1 ZINC000639922502 565269141 /nfs/dbraw/zinc/26/91/41/565269141.db2.gz YDEICTJILRHSQX-LSDHHAIUSA-N 1 0 376.266 2.577 20 0 GFADRO CN1CC[NH+](CC2(C)CCN(Cc3ncsc3Br)CC2)CC1 ZINC000660275635 565269241 /nfs/dbraw/zinc/26/92/41/565269241.db2.gz CYBOAUXDVFOEKP-UHFFFAOYSA-N 1 0 387.391 2.755 20 0 GFADRO CC[C@H](Cc1ccccc1Br)[N@H+](C)CCN1C(=O)CN(C)C1=O ZINC000660319131 565270732 /nfs/dbraw/zinc/27/07/32/565270732.db2.gz REHCJXZGZLYPAS-CQSZACIVSA-N 1 0 382.302 2.596 20 0 GFADRO O=C(CCc1nc([C@H]2CCC[NH2+]2)no1)c1ccc(I)cc1 ZINC000592357416 565270829 /nfs/dbraw/zinc/27/08/29/565270829.db2.gz BKQPDMVRLFJPFN-GFCCVEGCSA-N 1 0 397.216 2.914 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1cnn(-c2ccc(Br)cc2)c1 ZINC000618028896 565271249 /nfs/dbraw/zinc/27/12/49/565271249.db2.gz OCXBPSZGXSTSES-IAGOWNOFSA-N 1 0 389.297 2.991 20 0 GFADRO C[C@@H]([NH3+])[C@@H](C)NC(=O)c1ccc(Br)cc1I ZINC000592340044 565271694 /nfs/dbraw/zinc/27/16/94/565271694.db2.gz YXJPIMJAAODPMN-RNFRBKRXSA-N 1 0 397.054 2.519 20 0 GFADRO CO[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+][C@H]1CCC[C@H]1c1ccccc1C(F)(F)F ZINC000660373368 565271917 /nfs/dbraw/zinc/27/19/17/565271917.db2.gz QJHKIZCHWMRNQL-QCEMKRCNSA-N 1 0 377.428 2.743 20 0 GFADRO CC(C)(C[NH2+]Cc1cccc(I)c1)[C@@]1(O)CCOC1 ZINC000592375631 565272817 /nfs/dbraw/zinc/27/28/17/565272817.db2.gz XDYQRDYFNJSIJT-OAHLLOKOSA-N 1 0 375.250 2.558 20 0 GFADRO O=C(CCc1ccc(Br)cc1F)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000592405142 565273852 /nfs/dbraw/zinc/27/38/52/565273852.db2.gz BCOFRVADAMFMMM-IRXDYDNUSA-N 1 0 399.304 2.578 20 0 GFADRO O=c1cc(C[N@H+]2CC[C@H](O)[C@H]3CCCC[C@H]32)nc2ccc(Br)cn12 ZINC000640097734 565278755 /nfs/dbraw/zinc/27/87/55/565278755.db2.gz MHUZKTVWXKQFDX-XHSDSOJGSA-N 1 0 392.297 2.582 20 0 GFADRO [NH3+]C[C@H]1CCCn2ncc(C(=O)NCCc3ccc(F)c(Br)c3)c21 ZINC000592501277 565279795 /nfs/dbraw/zinc/27/97/95/565279795.db2.gz QVVAFAMQLBFCBX-GFCCVEGCSA-N 1 0 395.276 2.593 20 0 GFADRO COC(=O)CC[C@@H]([NH3+])C(=O)N[C@H](c1ccc(Br)cc1)C1CCC1 ZINC000592499242 565279921 /nfs/dbraw/zinc/27/99/21/565279921.db2.gz VKFNCBYYWOFBDP-ZBFHGGJFSA-N 1 0 383.286 2.687 20 0 GFADRO CCOC(=O)[C@H](Cc1cc(Cl)cc(Cl)c1)NC(=O)c1ccc(C[NH3+])o1 ZINC000592538703 565281313 /nfs/dbraw/zinc/28/13/13/565281313.db2.gz BVNMXJSKANHGLZ-AWEZNQCLSA-N 1 0 385.247 2.949 20 0 GFADRO Cc1nn(C)c(NC(=O)NCc2ccc(CC[NH+](C)C)cc2)c1Br ZINC000640165553 565282338 /nfs/dbraw/zinc/28/23/38/565282338.db2.gz JAAMURHPCUOCIU-UHFFFAOYSA-N 1 0 394.317 2.917 20 0 GFADRO COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)CCCOc1cccc(Cl)c1Cl ZINC000592553109 565282376 /nfs/dbraw/zinc/28/23/76/565282376.db2.gz HSADVBDTSHAGML-ZDUSSCGKSA-N 1 0 389.279 2.516 20 0 GFADRO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)[C@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000618306098 565286017 /nfs/dbraw/zinc/28/60/17/565286017.db2.gz SUCWIAVUYLBHFB-GJZGRUSLSA-N 1 0 386.323 2.575 20 0 GFADRO COc1ncc(Br)cc1CN(CC[NH+](C)C)Cc1ccccn1 ZINC000660679244 565288366 /nfs/dbraw/zinc/28/83/66/565288366.db2.gz KFHDGDOBRGKYQS-UHFFFAOYSA-N 1 0 379.302 2.812 20 0 GFADRO C[N@@H+]1CC[C@]2(C1)CCCN([C@H](C(N)=O)c1ccc(Br)cc1F)C2 ZINC000660656937 565288388 /nfs/dbraw/zinc/28/83/88/565288388.db2.gz BWFQYCNZIIFMIZ-RDJZCZTQSA-N 1 0 384.293 2.532 20 0 GFADRO O=C(Nc1nn(CC(F)(F)F)cc1Cl)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000640291480 565294124 /nfs/dbraw/zinc/29/41/24/565294124.db2.gz BSDTXTRTLVVIND-NSHDSACASA-N 1 0 379.814 3.191 20 0 GFADRO O=C(N[C@H]1CC[N@@H+](C2CC2)C1)N1CCN(c2ccc(Br)cc2)CC1 ZINC000660844678 565294990 /nfs/dbraw/zinc/29/49/90/565294990.db2.gz SINGDWFGSPRXCH-HNNXBMFYSA-N 1 0 393.329 2.517 20 0 GFADRO C[N@@H+]1CCC[C@H](CNC(=O)N2CCOc3cc(Br)ccc3C2)C1 ZINC000660846814 565295613 /nfs/dbraw/zinc/29/56/13/565295613.db2.gz IZRXXKQZIWJZCI-CYBMUJFWSA-N 1 0 382.302 2.695 20 0 GFADRO CC[NH+](CC)Cc1cccc(CNC(=O)Nc2nn(C)cc2Br)c1 ZINC000640308206 565297876 /nfs/dbraw/zinc/29/78/76/565297876.db2.gz DTSGBYNGSAPPBL-UHFFFAOYSA-N 1 0 394.317 3.346 20 0 GFADRO CC[N@@H+]1C[C@H](C)N(C(=O)Nc2nnc(C(F)(F)C(F)(F)F)s2)C[C@@H]1C ZINC000640384462 565305207 /nfs/dbraw/zinc/30/52/07/565305207.db2.gz DDSLPURWUSJDNL-YUMQZZPRSA-N 1 0 387.378 3.139 20 0 GFADRO O=C1CNC(=O)N1CC[NH2+]C1(c2ccc(Br)cc2)CCCCC1 ZINC000661133775 565309093 /nfs/dbraw/zinc/30/90/93/565309093.db2.gz NEYTWULRCUMLPH-UHFFFAOYSA-N 1 0 380.286 2.750 20 0 GFADRO Cc1[nH]c(=O)c(Br)cc1C(=O)N1CCCN(c2cc[nH+]cc2)CC1 ZINC000640442633 565309827 /nfs/dbraw/zinc/30/98/27/565309827.db2.gz FPWQGQISTLPEDA-UHFFFAOYSA-N 1 0 391.269 2.606 20 0 GFADRO COC[C@@H]([NH2+]CC(=O)Nc1nc(-c2cccs2)cs1)C1CCOCC1 ZINC000661157130 565310369 /nfs/dbraw/zinc/31/03/69/565310369.db2.gz FGWSIOVUMGMKBG-CYBMUJFWSA-N 1 0 381.523 2.841 20 0 GFADRO Cc1c(Br)cc(C(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)c(=O)n1C ZINC000618669403 565310589 /nfs/dbraw/zinc/31/05/89/565310589.db2.gz IQJSJMGJRANNQY-CYBMUJFWSA-N 1 0 396.329 2.593 20 0 GFADRO O=C1[C@@H]([N@H+]2C[C@@H]3C[C@H](O)CC[C@@H]3C2)CCN1c1cccc(Br)c1 ZINC000661206000 565313616 /nfs/dbraw/zinc/31/36/16/565313616.db2.gz RZNGYVFSUMENGD-GFOFROLCSA-N 1 0 379.298 2.647 20 0 GFADRO O[C@@H](COC[C@@H]1CCCO1)C[NH+]1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000661376626 565321335 /nfs/dbraw/zinc/32/13/35/565321335.db2.gz FIKXFTHAUWLTNS-CVEARBPZSA-N 1 0 389.323 2.672 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)N[C@H](CO)c1cccc(Br)c1 ZINC000661404091 565322239 /nfs/dbraw/zinc/32/22/39/565322239.db2.gz SNRSMPIRBQFKGM-HUUCEWRRSA-N 1 0 384.318 2.655 20 0 GFADRO C[C@H](NC(=O)C[N@H+]1C[C@]2(C)COC[C@]2(C)C1)c1ccc(Br)cc1 ZINC000661497915 565326043 /nfs/dbraw/zinc/32/60/43/565326043.db2.gz GWKGRRHPFUUMAG-DOPJRALCSA-N 1 0 381.314 2.985 20 0 GFADRO C[C@@H]1CCC[N@H+](CC(=O)c2c[nH]c3ncc(Br)cc23)[C@@H]1CCO ZINC000661500793 565326089 /nfs/dbraw/zinc/32/60/89/565326089.db2.gz UPRKDMVRVVDSHF-IAQYHMDHSA-N 1 0 380.286 2.991 20 0 GFADRO C[C@H](NC(=O)C[N@@H+]1CC[C@@H]2NC(=O)CC[C@@H]2C1)c1ccc(Cl)c(Cl)c1 ZINC000661601708 565330285 /nfs/dbraw/zinc/33/02/85/565330285.db2.gz DWTXCWJSKKTVPS-GHJWDPDVSA-N 1 0 384.307 2.771 20 0 GFADRO Brc1cc2c(cc1Cn1cc(C[NH2+]C3CCCC3)nn1)OCCO2 ZINC000640852177 565330967 /nfs/dbraw/zinc/33/09/67/565330967.db2.gz PXIVSDANSIEZGL-UHFFFAOYSA-N 1 0 393.285 2.892 20 0 GFADRO CCC(CC)NC(=O)[C@H](C)n1cc([C@H]([NH3+])c2ccc(Br)cc2)nn1 ZINC000640906353 565336050 /nfs/dbraw/zinc/33/60/50/565336050.db2.gz HHGWQQLBECLDQN-MEDUHNTESA-N 1 0 394.317 2.955 20 0 GFADRO CC[C@H]([NH2+]CCC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1Cl)C1CC1 ZINC000661759449 565338124 /nfs/dbraw/zinc/33/81/24/565338124.db2.gz VQHNPDPPXRJGPN-HNNXBMFYSA-N 1 0 387.933 2.697 20 0 GFADRO C[C@@H]1CC[N@H+](C[C@H](O)COc2cc(F)cc(Br)c2)C[C@H](C)O1 ZINC000661853289 565341100 /nfs/dbraw/zinc/34/11/00/565341100.db2.gz ROWDLSGXHSATEG-XUJVJEKNSA-N 1 0 376.266 2.827 20 0 GFADRO Ic1ccc(CN2CCC[C@H]2C[NH2+]C2CSC2)cc1 ZINC000619434406 565341128 /nfs/dbraw/zinc/34/11/28/565341128.db2.gz XJAXAEMDERDWCS-HNNXBMFYSA-N 1 0 388.318 2.961 20 0 GFADRO [NH3+][C@H](c1cn(Cc2nnc(C3CC3)s2)nn1)c1ccc(Br)cc1 ZINC000641048953 565343801 /nfs/dbraw/zinc/34/38/01/565343801.db2.gz DQQUPRGGMFRUGH-AWEZNQCLSA-N 1 0 391.298 2.866 20 0 GFADRO CN(Cc1ccccc1Br)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000661972657 565343856 /nfs/dbraw/zinc/34/38/56/565343856.db2.gz KMMBRWAXLZXNJC-MRXNPFEDSA-N 1 0 396.329 2.844 20 0 GFADRO Brc1ccc(-c2nccc(Cn3cc(C[C@H]4CC[NH2+]C4)nn3)n2)cc1 ZINC000641112900 565347394 /nfs/dbraw/zinc/34/73/94/565347394.db2.gz SWAXLAHNLUEWAR-CYBMUJFWSA-N 1 0 399.296 2.698 20 0 GFADRO COCC[C@H]([NH3+])Cc1cn([C@H]2CCCc3ccc(Br)cc32)nn1 ZINC000641123751 565347972 /nfs/dbraw/zinc/34/79/72/565347972.db2.gz XFPWPJGHDFEDBJ-YOEHRIQHSA-N 1 0 379.302 2.873 20 0 GFADRO O=C1CCCN1C[C@@H]1CC[N@@H+](C[C@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000662059904 565349095 /nfs/dbraw/zinc/34/90/95/565349095.db2.gz IZAGZQAYIXSOKH-HIFRSBDPSA-N 1 0 387.307 2.677 20 0 GFADRO CC[C@@H]1C[N@H+](C)CCCN1C(=O)Cc1cccc(I)c1 ZINC000619567124 565349625 /nfs/dbraw/zinc/34/96/25/565349625.db2.gz QMVOMWHLMTVXHV-OAHLLOKOSA-N 1 0 386.277 2.776 20 0 GFADRO Cc1nnc([C@@H](C)n2cc([C@@H]([NH3+])c3ccc(Br)cc3)nn2)s1 ZINC000641143943 565350191 /nfs/dbraw/zinc/35/01/91/565350191.db2.gz DXWGQTYCJWLLHB-OQPBUACISA-N 1 0 379.287 2.858 20 0 GFADRO Brc1ccc2[nH]c(Cn3cc(C[C@@H]4CCC[NH2+]C4)nn3)nc2c1 ZINC000641161859 565350603 /nfs/dbraw/zinc/35/06/03/565350603.db2.gz FWKHBBZDFUYUTC-NSHDSACASA-N 1 0 375.274 2.507 20 0 GFADRO CC(C)NC(=O)[C@H]1CCC[N@H+](C[C@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000662118467 565351164 /nfs/dbraw/zinc/35/11/64/565351164.db2.gz XWLSWVHNPFDICJ-ZFWWWQNUSA-N 1 0 389.323 2.970 20 0 GFADRO C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+]1C[C@@H](C)[C@](C)(CO)C1 ZINC000662138538 565351405 /nfs/dbraw/zinc/35/14/05/565351405.db2.gz WVVQAIFSTGCQOM-LBTNJELSSA-N 1 0 383.330 2.746 20 0 GFADRO CC(C)NC(=O)[C@H]1CCC[N@H+](C[C@@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000662118466 565351435 /nfs/dbraw/zinc/35/14/35/565351435.db2.gz XWLSWVHNPFDICJ-DZGCQCFKSA-N 1 0 389.323 2.970 20 0 GFADRO O[C@H]1CC[N@@H+](C2CCN(Cc3c(F)ccc(Br)c3F)CC2)C1 ZINC000662152057 565351794 /nfs/dbraw/zinc/35/17/94/565351794.db2.gz NDZXPNVHWYXNES-LBPRGKRZSA-N 1 0 375.257 2.758 20 0 GFADRO CCOC(=O)COc1c(Br)cc(C)cc1C[N@H+](C)[C@H](C)CCO ZINC000593694753 565357145 /nfs/dbraw/zinc/35/71/45/565357145.db2.gz RNAKIIIZHKUJFJ-CYBMUJFWSA-N 1 0 388.302 2.902 20 0 GFADRO COC(=O)c1cccc(NC(=O)NCCC2CC[NH2+]CC2)c1Br ZINC000593763477 565359826 /nfs/dbraw/zinc/35/98/26/565359826.db2.gz LZSLVJVJUKBBPV-UHFFFAOYSA-N 1 0 384.274 2.747 20 0 GFADRO C[NH+](C)CCC[C@H]1CN(Cc2nc3cc(Br)ccc3[nH]2)CCO1 ZINC000662324280 565360223 /nfs/dbraw/zinc/36/02/23/565360223.db2.gz UFGCYUFGISUSSS-AWEZNQCLSA-N 1 0 381.318 2.868 20 0 GFADRO CC[C@@H]1C[N@H+](C)CCCN1C(=O)c1cc(F)ccc1I ZINC000619867111 565361152 /nfs/dbraw/zinc/36/11/52/565361152.db2.gz KZVSRRXCHDAPIH-GFCCVEGCSA-N 1 0 390.240 2.987 20 0 GFADRO N[C@@H](C(=O)N1CCN(Cc2ccccc2)CC1)c1ccccc1Br ZINC000662344459 565361710 /nfs/dbraw/zinc/36/17/10/565361710.db2.gz YYCRURYIJNISMQ-GOSISDBHSA-N 1 0 388.309 2.793 20 0 GFADRO O=C(c1cc(Br)cc2c1OCCO2)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000662337384 565362042 /nfs/dbraw/zinc/36/20/42/565362042.db2.gz ACVUDAXACLYILA-WFASDCNBSA-N 1 0 395.297 2.825 20 0 GFADRO CCC[N@@H+]1CC[C@@H](NC(=O)c2cc(=O)[nH]c3ccc(Br)cc32)C1 ZINC000619899026 565362468 /nfs/dbraw/zinc/36/24/68/565362468.db2.gz KBFHQDKESJSCER-GFCCVEGCSA-N 1 0 378.270 2.917 20 0 GFADRO CCC[N@@H+]1CC[C@H](NC(=O)c2cnn(-c3cccc(Br)c3)c2)C1 ZINC000619897935 565362821 /nfs/dbraw/zinc/36/28/21/565362821.db2.gz GOPZDZBMUWTJBB-HNNXBMFYSA-N 1 0 377.286 2.849 20 0 GFADRO COc1cc(CS(=O)(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)sn1 ZINC000641328110 565362935 /nfs/dbraw/zinc/36/29/35/565362935.db2.gz GKWQXNSXGZFHTM-CABCVRRESA-N 1 0 387.571 2.568 20 0 GFADRO CCC[N@@H+]1CC[C@@H](NC(=O)C2(c3cccc(Br)c3)CC(=O)C2)C1 ZINC000619902613 565363694 /nfs/dbraw/zinc/36/36/94/565363694.db2.gz LSEAWHFTDPFAKD-OAHLLOKOSA-N 1 0 379.298 2.650 20 0 GFADRO CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCO[C@H]2c2cncc(Br)c2)C1 ZINC000619906188 565363931 /nfs/dbraw/zinc/36/39/31/565363931.db2.gz DWUDINFTFQOOKK-XHSDSOJGSA-N 1 0 382.302 2.522 20 0 GFADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)[C@H](N)c2ccccc2Br)C1 ZINC000662386860 565364148 /nfs/dbraw/zinc/36/41/48/565364148.db2.gz OCHTZOSQNIWSJQ-JKIFEVAISA-N 1 0 382.346 2.933 20 0 GFADRO CCN(Cc1cccc(Br)c1)C(=O)c1cnnn1C1CC[NH2+]CC1 ZINC000662379088 565364552 /nfs/dbraw/zinc/36/45/52/565364552.db2.gz OXCSYTZZFITRKJ-UHFFFAOYSA-N 1 0 392.301 2.627 20 0 GFADRO CC(C)[C@@H]([NH3+])CNC(=O)Cc1ccc(Br)c(Br)c1 ZINC000662422725 565367364 /nfs/dbraw/zinc/36/73/64/565367364.db2.gz ISRJHGBNPKMXLC-LBPRGKRZSA-N 1 0 378.108 2.854 20 0 GFADRO CC1(C)CC[NH2+][C@@H]1C(=O)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000662472971 565370417 /nfs/dbraw/zinc/37/04/17/565370417.db2.gz RWGIUHPEOHAUQR-OAHLLOKOSA-N 1 0 384.307 2.666 20 0 GFADRO O=C(c1cc(Br)cc(N2CCCC2)c1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000662520134 565373757 /nfs/dbraw/zinc/37/37/57/565373757.db2.gz DRNNAOJHKQJDBH-DYVFJYSZSA-N 1 0 378.314 2.873 20 0 GFADRO C[C@@H]1CN(C(=O)Cc2ccc(Br)c(Br)c2)[C@H](C)C[NH2+]1 ZINC000662513738 565374044 /nfs/dbraw/zinc/37/40/44/565374044.db2.gz FQKWRAXQOYZHJR-NXEZZACHSA-N 1 0 390.119 2.963 20 0 GFADRO C[C@@H](NC(=O)[C@H]1[NH2+]CCC1(C)C)c1cc2c(cc1Br)OCCO2 ZINC000662514716 565374061 /nfs/dbraw/zinc/37/40/61/565374061.db2.gz OJYIPKIBFGNNSI-MEBBXXQBSA-N 1 0 383.286 2.786 20 0 GFADRO [NH3+]C[C@H]1OCC[C@@H]1C(=O)Nc1ncc(Cc2cccc(Br)c2)s1 ZINC000662535362 565375233 /nfs/dbraw/zinc/37/52/33/565375233.db2.gz RDTNXSPOTPUQDF-UONOGXRCSA-N 1 0 396.310 2.799 20 0 GFADRO O=C(N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662566161 565377391 /nfs/dbraw/zinc/37/73/91/565377391.db2.gz SUUFKWZLSADUQN-HIFRSBDPSA-N 1 0 380.769 2.921 20 0 GFADRO O=C(N[C@H]1CCN(c2ccc(Br)cc2)C1)C1([NH2+]C2CC2)CCC1 ZINC000662715984 565383192 /nfs/dbraw/zinc/38/31/92/565383192.db2.gz XUYBFABFJOSNKI-HNNXBMFYSA-N 1 0 378.314 2.819 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)[C@@H]3CCO[C@H]3c3cncc(Br)c3)C[C@H]21 ZINC000662765432 565384183 /nfs/dbraw/zinc/38/41/83/565384183.db2.gz GECPEOUPDMWOKJ-YFTGLANFSA-N 1 0 394.313 2.508 20 0 GFADRO Cc1cccc(CNC(=O)c2cn([C@H]3CCC[NH2+]CC3)nn2)c1Br ZINC000662802384 565385531 /nfs/dbraw/zinc/38/55/31/565385531.db2.gz ORKIZNJBTLWKJT-AWEZNQCLSA-N 1 0 392.301 2.594 20 0 GFADRO C[C@@H](C(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1)c1ccc(Br)cc1 ZINC000620481806 565386087 /nfs/dbraw/zinc/38/60/87/565386087.db2.gz XIJNUOZKDAYNJF-DYVFJYSZSA-N 1 0 381.314 2.610 20 0 GFADRO CC(C)([NH3+])c1cc(C(=O)N[C@H]2COc3cc(F)c(Br)cc32)on1 ZINC000662812496 565386230 /nfs/dbraw/zinc/38/62/30/565386230.db2.gz UIZUODOJMKDBSS-JTQLQIEISA-N 1 0 384.205 2.634 20 0 GFADRO CC(C)n1cc(Br)cc1C(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000620482233 565386341 /nfs/dbraw/zinc/38/63/41/565386341.db2.gz MASCSIXENDZCIO-OAHLLOKOSA-N 1 0 384.318 2.503 20 0 GFADRO C[C@H](C[NH+](C)C)[C@@H]1CCCCN1S(=O)(=O)c1cccnc1C(F)(F)F ZINC000641622899 565387423 /nfs/dbraw/zinc/38/74/23/565387423.db2.gz DOSXLVWUHADFSY-OLZOCXBDSA-N 1 0 379.448 2.841 20 0 GFADRO CC(C)([NH3+])c1cc(C(=O)N2CCN(c3ccc(Br)cc3)CC2)on1 ZINC000662871146 565388603 /nfs/dbraw/zinc/38/86/03/565388603.db2.gz VPDIUDVIRRWJDX-UHFFFAOYSA-N 1 0 393.285 2.593 20 0 GFADRO Cc1cc(Br)c(Cl)cc1NC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000662860433 565388792 /nfs/dbraw/zinc/38/87/92/565388792.db2.gz YUYOUNHKMYJYBZ-LBPRGKRZSA-N 1 0 388.693 2.608 20 0 GFADRO CN(Cc1ccc(Cl)s1)C(=O)C(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662923867 565389288 /nfs/dbraw/zinc/38/92/88/565389288.db2.gz UBDJGRXGTJZVOH-CQSZACIVSA-N 1 0 383.945 2.598 20 0 GFADRO C[C@@H]1CCCN(C(=O)CNC(=O)c2cccc(Br)c2)[C@@H]1CCC[NH3+] ZINC000662890968 565389531 /nfs/dbraw/zinc/38/95/31/565389531.db2.gz SLUFPUXUROYCKO-CZUORRHYSA-N 1 0 396.329 2.545 20 0 GFADRO CN(Cc1ccc(Cl)s1)C(=O)C(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662922513 565389894 /nfs/dbraw/zinc/38/98/94/565389894.db2.gz CUVPAJHGCFERJO-AWEZNQCLSA-N 1 0 383.945 2.598 20 0 GFADRO CC(C)[C@H]([NH3+])CCNC(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1 ZINC000662924867 565389985 /nfs/dbraw/zinc/38/99/85/565389985.db2.gz KEAHJNFEBYCOKL-MRXNPFEDSA-N 1 0 386.945 2.916 20 0 GFADRO Cc1cc([C@H]2CCCN2C(=O)C(=O)N(C)CC(C)(C)[NH3+])ccc1Br ZINC000662941802 565390919 /nfs/dbraw/zinc/39/09/19/565390919.db2.gz CHKHNTFGLJUNBD-OAHLLOKOSA-N 1 0 396.329 2.617 20 0 GFADRO Brc1cnc(C2CC2)nc1NC1CC[NH+](C2CCOCC2)CC1 ZINC000641657486 565391729 /nfs/dbraw/zinc/39/17/29/565391729.db2.gz VKMLWYAZXPBLPK-UHFFFAOYSA-N 1 0 381.318 3.172 20 0 GFADRO C[C@@]1(NC(=O)c2cccc(NC(=O)c3ccc(Br)o3)c2)CC[NH2+]C1 ZINC000663009343 565392487 /nfs/dbraw/zinc/39/24/87/565392487.db2.gz SFPOAVFTWPREIP-QGZVFWFLSA-N 1 0 392.253 2.776 20 0 GFADRO C[C@@]1(NC(=O)c2ccc(NC(=O)CSc3cccs3)cc2)CC[NH2+]C1 ZINC000663011880 565393363 /nfs/dbraw/zinc/39/33/63/565393363.db2.gz YMYVJRAYTLCDSQ-GOSISDBHSA-N 1 0 375.519 2.961 20 0 GFADRO Cc1ccc(I)cc1NC(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000594523824 565397900 /nfs/dbraw/zinc/39/79/00/565397900.db2.gz DVRXTYSYRIRGIR-SECBINFHSA-N 1 0 387.143 2.611 20 0 GFADRO Ic1cnc(C[NH2+][C@H]2CCCN3CCCC[C@@H]23)s1 ZINC000594524203 565398050 /nfs/dbraw/zinc/39/80/50/565398050.db2.gz WZNJRMUGMGRRPK-QWRGUYRKSA-N 1 0 377.295 2.854 20 0 GFADRO C[C@@H]([NH2+][C@H]1CCc2c(nnn2C)C1)c1ccc(I)cc1 ZINC000594522726 565398192 /nfs/dbraw/zinc/39/81/92/565398192.db2.gz RUMWMBFWVHLIDB-MFKMUULPSA-N 1 0 382.249 2.628 20 0 GFADRO Cc1nn(-c2ccccc2Br)cc1C[NH2+]CC1([S@@](C)=O)CC1 ZINC000594524453 565398308 /nfs/dbraw/zinc/39/83/08/565398308.db2.gz QNZPPBSTABMBEB-JOCHJYFZSA-N 1 0 382.327 2.944 20 0 GFADRO Cc1csc(Sc2ccc(NC(=O)C(=O)NCCC(C)(C)[NH3+])cc2)n1 ZINC000641820746 565400074 /nfs/dbraw/zinc/40/00/74/565400074.db2.gz DVTHZFCIIMZJCJ-UHFFFAOYSA-N 1 0 378.523 2.785 20 0 GFADRO C[NH+](C)C[C@H]1COC2(CCCC2)CN1C(=O)c1ncc(Br)s1 ZINC000620911390 565400889 /nfs/dbraw/zinc/40/08/89/565400889.db2.gz FPIYAGLJMMYNJK-NSHDSACASA-N 1 0 388.331 2.621 20 0 GFADRO [NH3+]C/C=C/CNC(=O)N1CCN(c2ccc(C(F)(F)F)cc2Cl)CC1 ZINC000641862777 565401103 /nfs/dbraw/zinc/40/11/03/565401103.db2.gz ROUJMPNTZAMNKQ-OWOJBTEDSA-N 1 0 376.810 2.705 20 0 GFADRO C[C@H]1C[NH+](CCCNC(=O)COc2ccc(Cl)c(Cl)c2)C[C@H](C)O1 ZINC000641880106 565401244 /nfs/dbraw/zinc/40/12/44/565401244.db2.gz IWGHBQIJGWNKBZ-STQMWFEESA-N 1 0 375.296 2.988 20 0 GFADRO O=C(NCC1CC[NH+](CC2CC2)CC1)C(=O)c1ccc(Br)cc1 ZINC000620931625 565401890 /nfs/dbraw/zinc/40/18/90/565401890.db2.gz JOWCBLSVEUPXLU-UHFFFAOYSA-N 1 0 379.298 2.870 20 0 GFADRO C[NH+](C)C[C@@H]1COC2(CCCC2)CN1C(=O)c1ccc(Br)cn1 ZINC000620915166 565401898 /nfs/dbraw/zinc/40/18/98/565401898.db2.gz DHOIEMPKZMABGJ-CQSZACIVSA-N 1 0 382.302 2.560 20 0 GFADRO COc1ccc(CCC(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)cc1Br ZINC000594646797 565403234 /nfs/dbraw/zinc/40/32/34/565403234.db2.gz RKGSASOUBJPYHU-OAHLLOKOSA-N 1 0 381.314 2.991 20 0 GFADRO C[NH+](C)CCC[C@H]1CN(C(=O)Cc2ccc(Br)c(F)c2)CCO1 ZINC000620971413 565403471 /nfs/dbraw/zinc/40/34/71/565403471.db2.gz IJOXLPNZGWLMBP-AWEZNQCLSA-N 1 0 387.293 2.700 20 0 GFADRO Ic1ccc(Cn2cc(C[NH2+]C3CCCC3)nn2)cc1 ZINC000594656814 565404227 /nfs/dbraw/zinc/40/42/27/565404227.db2.gz FJUFENVNNHBNIY-UHFFFAOYSA-N 1 0 382.249 2.963 20 0 GFADRO CS(=O)(=O)c1cccc(Cl)c1C(=O)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000621108396 565405932 /nfs/dbraw/zinc/40/59/32/565405932.db2.gz ZIUYDFMEJHJBSM-AWEZNQCLSA-N 1 0 384.929 2.595 20 0 GFADRO C[C@H](CNS(=O)(=O)c1ccc(F)cc1Br)[NH+]1CCC(C)CC1 ZINC000621116115 565406286 /nfs/dbraw/zinc/40/62/86/565406286.db2.gz CTQRPTLWXGHXQP-GFCCVEGCSA-N 1 0 393.322 2.987 20 0 GFADRO O[C@H](C[NH2+]Cc1cc(Cl)ccc1I)COCC1CC1 ZINC000594717776 565410775 /nfs/dbraw/zinc/41/07/75/565410775.db2.gz GEECEZJWUBXFFN-CYBMUJFWSA-N 1 0 395.668 2.822 20 0 GFADRO C[C@H](NC1CC[NH+]([C@@H]2CCOC2)CC1)C(=O)Nc1ccc(Br)cc1 ZINC000663303887 565411039 /nfs/dbraw/zinc/41/10/39/565411039.db2.gz KZJIFGPGNIIXDG-SUMWQHHRSA-N 1 0 396.329 2.619 20 0 GFADRO Cc1cc(S(=O)(=O)N(C)[C@@H](C[NH3+])C(F)(F)F)c(C)cc1Br ZINC000663310624 565411176 /nfs/dbraw/zinc/41/11/76/565411176.db2.gz ISXNPTWBPZEIBC-NSHDSACASA-N 1 0 389.237 2.576 20 0 GFADRO COc1cc(CN2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)c(Br)cn1 ZINC000621269463 565413434 /nfs/dbraw/zinc/41/34/34/565413434.db2.gz VVJJKZJIGXRFKL-VNQPRFMTSA-N 1 0 384.318 2.536 20 0 GFADRO CCOc1ccc(Br)cc1S(=O)(=O)NC[C@H](C)[NH+]1CCCC1 ZINC000642515123 565413490 /nfs/dbraw/zinc/41/34/90/565413490.db2.gz MRHVQCUPXXWPMC-LBPRGKRZSA-N 1 0 391.331 2.610 20 0 GFADRO CC1(C)OCC[C@H]1C[NH2+]C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000663370024 565415228 /nfs/dbraw/zinc/41/52/28/565415228.db2.gz ISWPZWIUZICHEA-FZMZJTMJSA-N 1 0 376.266 2.733 20 0 GFADRO CC(C)[C@H](CNc1ccc(S(N)(=O)=O)cc1C(F)(F)F)[NH+]1CCCC1 ZINC000663377426 565416039 /nfs/dbraw/zinc/41/60/39/565416039.db2.gz ACNGQWYRVJGZBT-HNNXBMFYSA-N 1 0 379.448 2.885 20 0 GFADRO CC(C)C(=O)NC1CC[NH+](C[C@H](O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000642624537 565416371 /nfs/dbraw/zinc/41/63/71/565416371.db2.gz CWMNJZCVUGRPEH-AWEZNQCLSA-N 1 0 389.323 2.970 20 0 GFADRO COc1cc(C[NH2+][C@@H]2CCC[C@@H]3CN(C(C)=O)C[C@@H]32)c(Br)cn1 ZINC000621296156 565416832 /nfs/dbraw/zinc/41/68/32/565416832.db2.gz JDWHQRHOCIMJBE-IVMMDQJWSA-N 1 0 382.302 2.589 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+]C[C@H](CO)c2ccc(Cl)cc2)cc1Cl ZINC000642798895 565417622 /nfs/dbraw/zinc/41/76/22/565417622.db2.gz MEOWTGPJUKUILY-CYBMUJFWSA-N 1 0 389.304 2.507 20 0 GFADRO CC[C@@H]1CN(C(=O)C(=O)N[C@H](C)Cc2ccc(Cl)cc2Cl)CC[C@H]1[NH3+] ZINC000642711589 565417746 /nfs/dbraw/zinc/41/77/46/565417746.db2.gz ANXYVDMGPCANRD-XHBSWPGZSA-N 1 0 386.323 2.626 20 0 GFADRO CC(C)(CNC(=O)C(=O)N1CCC[C@@H](C[NH3+])C1)c1ccc(Cl)c(Cl)c1 ZINC000642724830 565417853 /nfs/dbraw/zinc/41/78/53/565417853.db2.gz BMDBJENROFQRHY-LBPRGKRZSA-N 1 0 386.323 2.585 20 0 GFADRO CC(C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000642905582 565418563 /nfs/dbraw/zinc/41/85/63/565418563.db2.gz PPQNCHVINHTRNW-CQSZACIVSA-N 1 0 386.323 2.989 20 0 GFADRO C[C@@H]1c2cc(Cl)c(Cl)cc2CCN1C(=O)C(=O)NCC1CC[NH2+]CC1 ZINC000642893662 565418576 /nfs/dbraw/zinc/41/85/76/565418576.db2.gz PRHSHZWJVDRFOI-LLVKDONJSA-N 1 0 384.307 2.555 20 0 GFADRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1c1nc2c(cccc2Br)s1 ZINC000621332816 565422241 /nfs/dbraw/zinc/42/22/41/565422241.db2.gz IPGZTQAACXTORK-JTQLQIEISA-N 1 0 383.315 2.615 20 0 GFADRO Cc1c(S(=O)(=O)N(C)C[C@@H]2CCC[N@@H+]2C)cnn1-c1ccc(Cl)cc1 ZINC000643223026 565425518 /nfs/dbraw/zinc/42/55/18/565425518.db2.gz OYRPFEQDXZRGIQ-INIZCTEOSA-N 1 0 382.917 2.549 20 0 GFADRO C[NH+]1CCC(N2CC[C@H](Nc3nc(C4CC4)ncc3Br)C2)CC1 ZINC000663596411 565428258 /nfs/dbraw/zinc/42/82/58/565428258.db2.gz HHAIILWXEXZRTG-ZDUSSCGKSA-N 1 0 380.334 2.697 20 0 GFADRO CC(C)C[C@H](Nc1nc(C2CC2)ncc1Br)C(=O)NCC[NH+](C)C ZINC000663750108 565433709 /nfs/dbraw/zinc/43/37/09/565433709.db2.gz HSKNWCWSDSWEOK-AWEZNQCLSA-N 1 0 398.349 2.621 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CNC(=O)CC[C@H]1CCC[NH2+]C1 ZINC000621630774 565434234 /nfs/dbraw/zinc/43/42/34/565434234.db2.gz MEPMSOWADRKVNH-CYBMUJFWSA-N 1 0 382.302 2.592 20 0 GFADRO C[NH+](C)[C@H]1CN(C(=O)N[C@H](c2ccc(Br)cc2)C2CCC2)C[C@@H]1O ZINC000663760874 565434695 /nfs/dbraw/zinc/43/46/95/565434695.db2.gz LHFULXPRAGHBJS-ULQDDVLXSA-N 1 0 396.329 2.607 20 0 GFADRO O=C(c1cc2c(cc1Br)OCO2)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000621657023 565434749 /nfs/dbraw/zinc/43/47/49/565434749.db2.gz ASXYQLWKBKNVAW-LBPRGKRZSA-N 1 0 381.270 2.640 20 0 GFADRO O=C(CNC(=O)c1ccc(Cl)c(Cl)c1)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000643597806 565435441 /nfs/dbraw/zinc/43/54/41/565435441.db2.gz ZJBNGLPINHYGBE-XJKSGUPXSA-N 1 0 384.307 2.714 20 0 GFADRO O=C(CC[C@@H]1CCC[NH2+]C1)N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000621660752 565435938 /nfs/dbraw/zinc/43/59/38/565435938.db2.gz VLEGEEXGNZVYBE-LRDDRELGSA-N 1 0 384.307 2.995 20 0 GFADRO C[NH+](C)[C@H]1CN(C(=O)N[C@H](c2ccsc2)c2ccc(Cl)cc2)C[C@@H]1O ZINC000663807691 565437422 /nfs/dbraw/zinc/43/74/22/565437422.db2.gz WBMUAMQEPMGNTO-ULQDDVLXSA-N 1 0 379.913 2.807 20 0 GFADRO C[S@](=O)[C@H]1CCC[C@@H]([NH2+]Cc2cc(Br)c3c(c2)OCCO3)C1 ZINC000594963751 565438195 /nfs/dbraw/zinc/43/81/95/565438195.db2.gz XSWDCVCNOFHNCN-IFMYKAFSSA-N 1 0 388.327 3.000 20 0 GFADRO C[C@@H](CN1CCCC1=O)[NH2+][C@@H]1CCc2ccc(I)cc21 ZINC000595017716 565442597 /nfs/dbraw/zinc/44/25/97/565442597.db2.gz NLNGJRBAOFKSQJ-XHDPSFHLSA-N 1 0 384.261 2.879 20 0 GFADRO O=C1C[C@H]([NH2+][C@H]2CCc3ccc(I)cc32)CN1C1CC1 ZINC000595025871 565443220 /nfs/dbraw/zinc/44/32/20/565443220.db2.gz JMQMIEOMPIYOGF-WFASDCNBSA-N 1 0 382.245 2.631 20 0 GFADRO O[C@H](C[NH2+][C@H]1CCc2ccc(I)cc21)C1CCOCC1 ZINC000595019098 565443899 /nfs/dbraw/zinc/44/38/99/565443899.db2.gz IBWBNCDXCQMIIU-JKSUJKDBSA-N 1 0 387.261 2.656 20 0 GFADRO COCCOC[C@@H](C)[NH2+][C@@H]1CCc2ccc(I)cc21 ZINC000595028818 565443970 /nfs/dbraw/zinc/44/39/70/565443970.db2.gz VQJNNVKDJTZYJN-IAQYHMDHSA-N 1 0 375.250 2.920 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)NCC[C@@H](C)[NH+](C)C ZINC000663921503 565444135 /nfs/dbraw/zinc/44/41/35/565444135.db2.gz OHZQLNFTLWAKEB-CYBMUJFWSA-N 1 0 399.333 2.726 20 0 GFADRO O=C(C[NH2+][C@@H]1CCCn2nccc21)Nc1ccc(I)cc1 ZINC000595037799 565444920 /nfs/dbraw/zinc/44/49/20/565444920.db2.gz CHZWCHMMEGCHEQ-CYBMUJFWSA-N 1 0 396.232 2.551 20 0 GFADRO CO[C@@H]1COCC[C@H]1C[NH2+][C@H]1CCc2ccc(I)cc21 ZINC000595042631 565444970 /nfs/dbraw/zinc/44/49/70/565444970.db2.gz UAJYQSQQDLQYJE-VBNZEHGJSA-N 1 0 387.261 2.920 20 0 GFADRO CC(C)(CO)CCNc1ncnc(NCCC(C)(C)CO)c1Br ZINC000663953640 565445345 /nfs/dbraw/zinc/44/53/45/565445345.db2.gz SWWRDYKVKKAZFQ-UHFFFAOYSA-N 1 0 389.338 2.880 20 0 GFADRO O=C(NCc1ccc(Br)cc1)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000664024929 565449242 /nfs/dbraw/zinc/44/92/42/565449242.db2.gz ORLDJYNAMATPKL-KRWDZBQOSA-N 1 0 396.329 2.845 20 0 GFADRO CO[C@H]1C[C@H]2C[C@@H]([NH2+]CCNS(=O)(=O)c3ccc(Cl)cc3F)C[C@H]2C1 ZINC000643893076 565449777 /nfs/dbraw/zinc/44/97/77/565449777.db2.gz KGIGIKZJUQKYOF-CUFDPUGPSA-N 1 0 390.908 2.551 20 0 GFADRO C[C@H](NC(=O)[C@H]1[NH2+]CC1(C)C)c1nc(-c2ccc(Br)cc2)no1 ZINC000643974889 565453880 /nfs/dbraw/zinc/45/38/80/565453880.db2.gz VEKGFVWGUSZTEN-JOYOIKCWSA-N 1 0 379.258 2.674 20 0 GFADRO [NH3+][C@]12CCC[C@@H]1CN(S(=O)(=O)c1c(Cl)cccc1Br)C2 ZINC000622014889 565455063 /nfs/dbraw/zinc/45/50/63/565455063.db2.gz MJFXSRNCRFMSBQ-RNCFNFMXSA-N 1 0 379.707 2.604 20 0 GFADRO [NH3+][C@@]12CCC[C@@H]1CN(S(=O)(=O)Cc1ccc(Br)cc1Cl)C2 ZINC000622014344 565455299 /nfs/dbraw/zinc/45/52/99/565455299.db2.gz CPFPLRDTLQMELN-BXUZGUMPSA-N 1 0 393.734 2.746 20 0 GFADRO CO[C@H](C[NH3+])C(=O)Nc1nc(C)c(Cc2cccc(Br)c2)s1 ZINC000644045634 565455977 /nfs/dbraw/zinc/45/59/77/565455977.db2.gz QJGCRLZWQYKKIQ-GFCCVEGCSA-N 1 0 384.299 2.717 20 0 GFADRO COc1ccc([C@H](C)NC(=O)[C@@H]2C[NH2+]CCC2(F)F)cc1Br ZINC000644041572 565456028 /nfs/dbraw/zinc/45/60/28/565456028.db2.gz ZDRVUKNCFMMAEI-ONGXEEELSA-N 1 0 377.229 2.880 20 0 GFADRO CC[N@@H+]1CCC[C@H](CN(C)c2cc(Br)cnn2)[C@H]1c1cnn(C)c1 ZINC000664295893 565457609 /nfs/dbraw/zinc/45/76/09/565457609.db2.gz IQGRLOYJVIUABX-DYVFJYSZSA-N 1 0 393.333 2.882 20 0 GFADRO COc1ccccc1[C@@H]([NH3+])CNC(=O)[C@@H]1COc2ccc(Br)cc21 ZINC000644091546 565458639 /nfs/dbraw/zinc/45/86/39/565458639.db2.gz XQUPBQPMJBKNJO-CABCVRRESA-N 1 0 391.265 2.750 20 0 GFADRO O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)c1ccc(Br)c(OC(F)(F)F)c1 ZINC000644142282 565459818 /nfs/dbraw/zinc/45/98/18/565459818.db2.gz LOWFHHYNYWBLSW-IUCAKERBSA-N 1 0 385.155 2.778 20 0 GFADRO CN(CC(C)(C)[NH3+])C(=O)NCc1ccc(I)c(Cl)c1 ZINC000595262748 565459862 /nfs/dbraw/zinc/45/98/62/565459862.db2.gz JLLKVWQBRRKGGY-UHFFFAOYSA-N 1 0 395.672 2.823 20 0 GFADRO [NH3+][C@@H]1CCC[C@H](CNC(=O)[C@@H]2CC(=O)N(c3cc(Cl)cc(Cl)c3)C2)C1 ZINC000644136685 565460599 /nfs/dbraw/zinc/46/05/99/565460599.db2.gz IRMZVSAOUMKQFW-YWPYICTPSA-N 1 0 384.307 2.980 20 0 GFADRO C[NH+](C)CCC[C@H]1CN(c2ccnc3cc(Br)cnc32)CCO1 ZINC000664655997 565472338 /nfs/dbraw/zinc/47/23/38/565472338.db2.gz CGCQNENKZOTPEE-AWEZNQCLSA-N 1 0 379.302 2.939 20 0 GFADRO Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N1CCOC2(C[NH2+]C2)C1 ZINC000664723012 565475312 /nfs/dbraw/zinc/47/53/12/565475312.db2.gz BLACSIXCRZTUDC-UHFFFAOYSA-N 1 0 382.247 2.771 20 0 GFADRO CCn1c(CNC(=O)N(C)CC2C[NH+](C)C2)nc2cc(Br)ccc21 ZINC000664744299 565476787 /nfs/dbraw/zinc/47/67/87/565476787.db2.gz OFIPJMVWWHKIHM-UHFFFAOYSA-N 1 0 394.317 2.522 20 0 GFADRO C[C@@H](NC(=O)N1CCO[C@H](CCC[NH+](C)C)C1)c1ccc(Br)cn1 ZINC000664793157 565479056 /nfs/dbraw/zinc/47/90/56/565479056.db2.gz VRCVLYFVFVMNSM-UKRRQHHQSA-N 1 0 399.333 2.657 20 0 GFADRO C[C@@H]1CN(CCNC(=O)N[C@@H]2C[C@H]2c2ccc(Br)cc2)[C@H](C)CO1 ZINC000664802118 565479755 /nfs/dbraw/zinc/47/97/55/565479755.db2.gz MVJBEBHTEIOJIX-UTJXIGIESA-N 1 0 396.329 2.713 20 0 GFADRO CN(C)C(=O)[C@@H]1CCC[C@@H]([NH2+]C[C@H](O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000644567861 565483008 /nfs/dbraw/zinc/48/30/08/565483008.db2.gz RUDMAPOUPWYFFR-MCIONIFRSA-N 1 0 389.323 2.970 20 0 GFADRO CCC[N@H+](C)CC(C)(C)NC(=O)N[C@H]1C[C@H](C)S(=O)(=O)c2sccc21 ZINC000664932591 565484745 /nfs/dbraw/zinc/48/47/45/565484745.db2.gz ARSGOYJUEBFQSQ-JSGCOSHPSA-N 1 0 387.571 2.775 20 0 GFADRO COCC[N@@H+]1CCC[C@@H](NC(=O)C2(Cc3ccccc3Br)CC2)C1 ZINC000644794710 565495608 /nfs/dbraw/zinc/49/56/08/565495608.db2.gz KGRRFPFOVQVJNT-MRXNPFEDSA-N 1 0 395.341 2.999 20 0 GFADRO Cc1c(C(=O)N2CC[C@@H]3C[N@@H+](C)C[C@H]32)cnn1-c1cccc(Br)c1 ZINC000644816168 565497121 /nfs/dbraw/zinc/49/71/21/565497121.db2.gz TZPKBXIAMSRQJV-CXAGYDPISA-N 1 0 389.297 2.719 20 0 GFADRO CN(CCOc1ccc(Br)cc1)C(=O)[C@@H]1CCc2nc[nH]c2C1 ZINC000665332206 565497466 /nfs/dbraw/zinc/49/74/66/565497466.db2.gz DBGKCWYMWMSBHN-GFCCVEGCSA-N 1 0 378.270 2.815 20 0 GFADRO CC1(C)CC[NH2+][C@@H]1C(=O)NCc1cc(Cl)ccc1I ZINC000595964223 565502311 /nfs/dbraw/zinc/50/23/11/565502311.db2.gz XLOCSRNWDYXHNH-GFCCVEGCSA-N 1 0 392.668 2.949 20 0 GFADRO Cc1sc2nc(CS[C@H](C)C(=O)N[C@@]3(C)CC[NH2+]C3)[nH]c(=O)c2c1C ZINC000595991415 565504491 /nfs/dbraw/zinc/50/44/91/565504491.db2.gz IOUWAGCIEFNPAS-DIFFPNOSSA-N 1 0 380.539 2.504 20 0 GFADRO COC(=O)c1sc2c(c1Br)CN(C(=O)CC[C@@H]1CC[NH2+]C1)C2 ZINC000595999184 565504756 /nfs/dbraw/zinc/50/47/56/565504756.db2.gz MQHMXECKVFXNBN-SECBINFHSA-N 1 0 387.299 2.529 20 0 GFADRO CCOCC[NH2+]Cc1cc(Cl)cc(Cl)c1OCCN1CCOCC1 ZINC000623361297 565505446 /nfs/dbraw/zinc/50/54/46/565505446.db2.gz WHRDITASMKOVNA-UHFFFAOYSA-N 1 0 377.312 2.831 20 0 GFADRO C[NH+](C)C[C@@H]1CCc2ccccc2N1C(=O)CCn1cc(Br)cn1 ZINC000644978394 565505716 /nfs/dbraw/zinc/50/57/16/565505716.db2.gz UPEOVAFBDLUHON-INIZCTEOSA-N 1 0 391.313 2.945 20 0 GFADRO C[NH+](C)[C@@]1(CNC(=O)N2CC[C@@H](O)[C@H]2c2ccc(Cl)cc2)CCSC1 ZINC000645014105 565508253 /nfs/dbraw/zinc/50/82/53/565508253.db2.gz JJUAPFSQEHNPNO-JFIYKMOQSA-N 1 0 383.945 2.595 20 0 GFADRO COc1ncc(Br)cc1CNC(=O)NC[C@@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000623422075 565509188 /nfs/dbraw/zinc/50/91/88/565509188.db2.gz IZEUVGMRWMMOCG-QWHCGFSZSA-N 1 0 399.333 2.915 20 0 GFADRO Cc1sc(Br)cc1S(=O)(=O)N1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000645092915 565511701 /nfs/dbraw/zinc/51/17/01/565511701.db2.gz GDVHOZVRCCFOJF-AWEZNQCLSA-N 1 0 393.372 2.925 20 0 GFADRO C[NH+](C)CCCNC(=O)NCc1cc(Cl)ccc1I ZINC000596081741 565513219 /nfs/dbraw/zinc/51/32/19/565513219.db2.gz CNVHSGISYVHMCZ-UHFFFAOYSA-N 1 0 395.672 2.696 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)C[C@@H]1CCCC[C@H]1[NH3+] ZINC000645164498 565514252 /nfs/dbraw/zinc/51/42/52/565514252.db2.gz OKHPETIUWNHIQD-GXTWGEPZSA-N 1 0 382.302 2.720 20 0 GFADRO CCN1CCN(C(=O)[C@H](C)[NH2+][C@@H](C)c2ccc(F)c(Br)c2)CC1 ZINC000645193249 565515977 /nfs/dbraw/zinc/51/59/77/565515977.db2.gz IFILDZUYTUDSBR-STQMWFEESA-N 1 0 386.309 2.791 20 0 GFADRO COc1ccc(NC(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)cc1Br ZINC000666064750 565521544 /nfs/dbraw/zinc/52/15/44/565521544.db2.gz UXSIFGCYOZHMCH-AWEZNQCLSA-N 1 0 398.301 2.833 20 0 GFADRO Cc1ccc(Br)c(C)c1C(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000645325805 565521553 /nfs/dbraw/zinc/52/15/53/565521553.db2.gz IBNLQMOZJIUQMC-HOTGVXAUSA-N 1 0 381.314 2.737 20 0 GFADRO OCCOC1(C[NH2+]Cc2ccc(Br)cn2)CCC(F)(F)CC1 ZINC000623637086 565521931 /nfs/dbraw/zinc/52/19/31/565521931.db2.gz MZFIYDGYFNDHHT-UHFFFAOYSA-N 1 0 379.245 2.891 20 0 GFADRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1c1nc(-c2cc(Cl)cc(Cl)c2)no1 ZINC000645358248 565522567 /nfs/dbraw/zinc/52/25/67/565522567.db2.gz BETUYKQTZPRUCC-SNVBAGLBSA-N 1 0 384.267 2.600 20 0 GFADRO Cc1cc(Br)ccc1C[NH2+][C@@H]1CCN(c2ccc3nncn3n2)C1 ZINC000623652257 565522698 /nfs/dbraw/zinc/52/26/98/565522698.db2.gz BGQBNDIFLNDPJG-OAHLLOKOSA-N 1 0 387.285 2.564 20 0 GFADRO OC[C@@]1([NH2+]Cc2cnc3n2CCC3)CCc2cc(Br)ccc2C1 ZINC000623645356 565523527 /nfs/dbraw/zinc/52/35/27/565523527.db2.gz YTFSCGRNWOGIJK-GOSISDBHSA-N 1 0 376.298 2.601 20 0 GFADRO Cc1nn(-c2ccccc2Br)cc1C[NH2+][C@@H]1CCS(=O)(=O)[C@@H]1C ZINC000623720296 565526651 /nfs/dbraw/zinc/52/66/51/565526651.db2.gz BEYWOSFVRJAYNY-IUODEOHRSA-N 1 0 398.326 2.608 20 0 GFADRO C[NH+](C)[C@@H](CNS(=O)(=O)c1ncccc1C(F)(F)F)C1CCCCC1 ZINC000645469711 565527708 /nfs/dbraw/zinc/52/77/08/565527708.db2.gz RSZSFRDVLZUVSU-AWEZNQCLSA-N 1 0 379.448 2.889 20 0 GFADRO CN1CCOC[C@@H]1CNC(=O)NCc1cc(Cl)cc(Cl)c1OC(F)F ZINC000623744570 565528016 /nfs/dbraw/zinc/52/80/16/565528016.db2.gz HOIDWOPREHXOLH-NSHDSACASA-N 1 0 398.237 2.725 20 0 GFADRO CSC1(CNC(=O)N[C@H](c2cccs2)C(C)(C)CO)CC[NH+](C)CC1 ZINC000596601461 565528234 /nfs/dbraw/zinc/52/82/34/565528234.db2.gz APEWPDLDYQMFNA-OAHLLOKOSA-N 1 0 385.599 2.934 20 0 GFADRO C[NH+](C)C[C@@H]1CCN(S(=O)(=O)c2cc(Cl)ccc2OC(F)(F)F)C1 ZINC000645537226 565535991 /nfs/dbraw/zinc/53/59/91/565535991.db2.gz BIKPRSIFRQWTGF-JTQLQIEISA-N 1 0 386.823 2.811 20 0 GFADRO C[C@@H]1C[C@H](NS(=O)(=O)c2cc(Cl)ccc2OC(F)(F)F)CC[N@@H+]1C ZINC000645565785 565539214 /nfs/dbraw/zinc/53/92/14/565539214.db2.gz VNYSJCZFVMZEGA-MWLCHTKSSA-N 1 0 386.823 3.000 20 0 GFADRO C[C@@H]([NH2+][C@@H]1CCN(c2ccc3nncn3n2)C1)c1cccc(Br)c1 ZINC000624113538 565543878 /nfs/dbraw/zinc/54/38/78/565543878.db2.gz HXDGCUYHBUMTHE-IUODEOHRSA-N 1 0 387.285 2.816 20 0 GFADRO COc1ncc(Br)cc1CNC(=O)NCCCC[N@H+](C)C1CC1 ZINC000624185051 565546788 /nfs/dbraw/zinc/54/67/88/565546788.db2.gz AVYHCQQNOLGEER-UHFFFAOYSA-N 1 0 385.306 2.526 20 0 GFADRO Cc1c(Br)cncc1CN1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000597025901 565549100 /nfs/dbraw/zinc/54/91/00/565549100.db2.gz JCQPRPWMUAXGPK-QGZVFWFLSA-N 1 0 381.362 2.753 20 0 GFADRO Cn1cc(Br)c(=O)c(NC(=O)N2CCC[N@@H+](C3CCCC3)CC2)c1 ZINC000666692407 565549158 /nfs/dbraw/zinc/54/91/58/565549158.db2.gz SKOLJFJSLSQRGP-UHFFFAOYSA-N 1 0 397.317 2.630 20 0 GFADRO COc1cc(C(=O)N[C@@H](C)C2CC[NH+](C)CC2)cc(OC)c1Br ZINC000624268088 565550062 /nfs/dbraw/zinc/55/00/62/565550062.db2.gz IESHZUZEQXCTEY-NSHDSACASA-N 1 0 385.302 2.926 20 0 GFADRO COc1ncc(S(=O)(=O)N(CC[NH+](C)C)Cc2ccsc2)cc1Cl ZINC000645755363 565559691 /nfs/dbraw/zinc/55/96/91/565559691.db2.gz SXMQVJYSRFUOBE-UHFFFAOYSA-N 1 0 389.930 2.558 20 0 GFADRO CN(CCC[NH+](C)C)CCNC(=O)Nc1cc(F)cc(F)c1Br ZINC000666843976 565559698 /nfs/dbraw/zinc/55/96/98/565559698.db2.gz VYPOFLLXEQBQMI-UHFFFAOYSA-N 1 0 393.276 2.732 20 0 GFADRO FC(F)Oc1cccc(Cl)c1CNC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000666898663 565562017 /nfs/dbraw/zinc/56/20/17/565562017.db2.gz WYMYEBZKQOVKKJ-CYBMUJFWSA-N 1 0 387.780 2.867 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)c1cc(I)ccc1F ZINC000597531318 565562638 /nfs/dbraw/zinc/56/26/38/565562638.db2.gz CPLFHEVTTUQOTN-CHWSQXEVSA-N 1 0 376.213 2.643 20 0 GFADRO CC(C)c1ccc(Cl)c(S(=O)(=O)N2CCOC3(CC[NH+](C)CC3)C2)c1 ZINC000645856795 565568645 /nfs/dbraw/zinc/56/86/45/565568645.db2.gz YYGWVGLPCMTWPE-UHFFFAOYSA-N 1 0 386.945 2.949 20 0 GFADRO CC[NH+](CC)CCS(=O)(=O)N1CCO[C@H](c2c(F)cccc2Cl)C1 ZINC000645895138 565571467 /nfs/dbraw/zinc/57/14/67/565571467.db2.gz YGDPFCHLXFYQTD-HNNXBMFYSA-N 1 0 378.897 2.524 20 0 GFADRO O=C(N[C@H]1CC[N@@H+](C2CC2)C1)c1c(F)c(F)c(Br)c(F)c1F ZINC000667181397 565574906 /nfs/dbraw/zinc/57/49/06/565574906.db2.gz BUYQWAPCOFDZSW-LURJTMIESA-N 1 0 381.167 2.972 20 0 GFADRO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)Nc1cnn(-c2ccccc2Br)c1 ZINC000667276207 565580174 /nfs/dbraw/zinc/58/01/74/565580174.db2.gz LDMYIGAXQWONIC-AAEUAGOBSA-N 1 0 396.264 2.799 20 0 GFADRO Cc1cc(Br)c(NC(=O)N2CCO[C@@H]([C@H](C)[NH3+])C2)cc1Cl ZINC000667383457 565584544 /nfs/dbraw/zinc/58/45/44/565584544.db2.gz IQZLIDTWTQUJRI-TVQRCGJNSA-N 1 0 376.682 2.991 20 0 GFADRO O=C(Nc1ccnn1Cc1ccc(Br)cc1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000667429052 565586653 /nfs/dbraw/zinc/58/66/53/565586653.db2.gz XZUHWUXUSGFUKF-HIFRSBDPSA-N 1 0 390.285 2.520 20 0 GFADRO O=C(NCC[NH2+]C1CC1)Nc1ccnn1Cc1cccc(Br)c1 ZINC000667432188 565586680 /nfs/dbraw/zinc/58/66/80/565586680.db2.gz AWDCJPOJPDAXNU-UHFFFAOYSA-N 1 0 378.274 2.567 20 0 GFADRO CCCC[N@H+](C[C@H]1CCCN(S(C)(=O)=O)C1)[C@H]1CCc2ncsc2C1 ZINC000646129502 565587823 /nfs/dbraw/zinc/58/78/23/565587823.db2.gz KDAUNOPZYPVTJA-CVEARBPZSA-N 1 0 385.599 2.774 20 0 GFADRO Brc1ccc(N2CCN(Cc3ccnn3-c3cc[nH+]cc3)CC2)nc1 ZINC000667498662 565589355 /nfs/dbraw/zinc/58/93/55/565589355.db2.gz QONFKESOADWXOA-UHFFFAOYSA-N 1 0 399.296 2.747 20 0 GFADRO O=C(Nc1cccc(Cl)c1SCC(F)F)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000667505875 565591528 /nfs/dbraw/zinc/59/15/28/565591528.db2.gz FDNUWKLARCBIBR-SNVBAGLBSA-N 1 0 391.871 2.894 20 0 GFADRO O=C(Nc1cc(C(F)(F)F)ccc1Cl)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000667538365 565593180 /nfs/dbraw/zinc/59/31/80/565593180.db2.gz CDGNCEMKLGTDOE-NOZJJQNGSA-N 1 0 375.778 2.508 20 0 GFADRO CC[C@H]1CN(C(=O)C(=O)Nc2cc(Cl)ccc2C(F)(F)F)CC[C@H]1[NH3+] ZINC000667546817 565593223 /nfs/dbraw/zinc/59/32/23/565593223.db2.gz RXWQMPFZUWZKGQ-JOYOIKCWSA-N 1 0 377.794 2.883 20 0 GFADRO CC[C@H]1CN(C(=O)C(=O)Nc2cc(Br)c(C)cc2C)CC[C@@H]1[NH3+] ZINC000667546117 565593269 /nfs/dbraw/zinc/59/32/69/565593269.db2.gz DJDGZRYHVOIDRL-JSGCOSHPSA-N 1 0 382.302 2.590 20 0 GFADRO CC[C@@H]1CN(C(=O)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)CC[C@H]1[NH3+] ZINC000667548346 565594560 /nfs/dbraw/zinc/59/45/60/565594560.db2.gz MAORBXLDRBHUCK-BXKDBHETSA-N 1 0 377.794 2.883 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CN(C(=O)Nc2cc(F)c(Br)c(Cl)c2)CCO1 ZINC000667594236 565595839 /nfs/dbraw/zinc/59/58/39/565595839.db2.gz SRYVANHHXKQRHX-RDDDGLTNSA-N 1 0 380.645 2.822 20 0 GFADRO Cc1c(Br)cncc1CN1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000667602954 565596359 /nfs/dbraw/zinc/59/63/59/565596359.db2.gz SVDICDUAXCDTQJ-KRWDZBQOSA-N 1 0 381.362 2.754 20 0 GFADRO CCC(F)(F)C(C)(C)CS(=O)(=O)N1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000625080211 565596375 /nfs/dbraw/zinc/59/63/75/565596375.db2.gz MWYYNAPUZRRQBI-SOUVJXGZSA-N 1 0 382.517 2.571 20 0 GFADRO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)Nc1ccn(-c2ccc(Br)cc2)n1 ZINC000667639561 565598270 /nfs/dbraw/zinc/59/82/70/565598270.db2.gz PKTTZOVPBHBRLD-JSGCOSHPSA-N 1 0 396.264 2.799 20 0 GFADRO CC(=O)NC[C@H]1CCC[N@@H+]([C@H]2CCc3cc(Br)ccc3NC2=O)C1 ZINC000625108408 565598653 /nfs/dbraw/zinc/59/86/53/565598653.db2.gz OMHJLUVWMRBDRA-DYVFJYSZSA-N 1 0 394.313 2.551 20 0 GFADRO O=C(c1cnc(-c2ccccc2Cl)s1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000646364293 565599979 /nfs/dbraw/zinc/59/99/79/565599979.db2.gz OXXKTDRSHIEPMB-ZDUSSCGKSA-N 1 0 376.913 2.583 20 0 GFADRO O=C(c1cc(Br)c2c(c1)OCCO2)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000646386032 565600894 /nfs/dbraw/zinc/60/08/94/565600894.db2.gz QHVWQFJQDFQVED-STQMWFEESA-N 1 0 395.297 2.682 20 0 GFADRO CC(C)[C@H](NC(=O)c1ccccc1Br)C(=O)NC[C@H](C)C[NH+](C)C ZINC000646373233 565601313 /nfs/dbraw/zinc/60/13/13/565601313.db2.gz CVRRLGKJMPEUTE-BBRMVZONSA-N 1 0 398.345 2.517 20 0 GFADRO CC[N@H+](CCO)CCNC(=O)Nc1cc(Cl)c(Br)cc1C ZINC000667688336 565601453 /nfs/dbraw/zinc/60/14/53/565601453.db2.gz OAEOPTWFLSEFFA-UHFFFAOYSA-N 1 0 378.698 2.847 20 0 GFADRO CC[NH+](CC)CCN(C(=O)[C@@H](COC)OC)c1cccc(Br)c1 ZINC000667688541 565601845 /nfs/dbraw/zinc/60/18/45/565601845.db2.gz WIQHEFBDYQIYBM-MRXNPFEDSA-N 1 0 387.318 2.785 20 0 GFADRO CC(=O)NCc1ccc(-c2nc(NC(=O)[C@@H]3CC[NH2+][C@H]3C)sc2C)s1 ZINC000646420991 565602284 /nfs/dbraw/zinc/60/22/84/565602284.db2.gz NPWOQEWDLXDUMD-TVQRCGJNSA-N 1 0 378.523 2.753 20 0 GFADRO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000646472961 565603457 /nfs/dbraw/zinc/60/34/57/565603457.db2.gz MNIAVFFEWZXZEM-FFSVYQOJSA-N 1 0 384.307 2.897 20 0 GFADRO COCCN(Cc1sccc1Br)C(=O)CC1CC[NH2+]CC1 ZINC000646518082 565604969 /nfs/dbraw/zinc/60/49/69/565604969.db2.gz RXYTZTIRXXQQPE-UHFFFAOYSA-N 1 0 375.332 2.875 20 0 GFADRO CCO[C@H]1C[C@]([NH3+])(C(=O)N2CCc3cc(Br)ccc3C2)C1(C)C ZINC000646513084 565605193 /nfs/dbraw/zinc/60/51/93/565605193.db2.gz KIJINWGEURLHSP-YJBOKZPZSA-N 1 0 381.314 2.866 20 0 GFADRO CCC[N@H+](C)[C@@H](CNS(=O)(=O)c1cnc(C)n1C)c1ccc(Cl)cc1 ZINC000625203887 565606559 /nfs/dbraw/zinc/60/65/59/565606559.db2.gz IWGULCZGPZITJK-INIZCTEOSA-N 1 0 384.933 2.743 20 0 GFADRO CC(C)([NH3+])CC(=O)N(CCn1ccnc1)Cc1ccccc1Br ZINC000646557627 565608045 /nfs/dbraw/zinc/60/80/45/565608045.db2.gz YGPHXZAFKZENRY-UHFFFAOYSA-N 1 0 379.302 2.802 20 0 GFADRO O=C(NC[C@H]1CCCC[NH2+]1)[C@H](c1ccc(Cl)cc1Cl)N1CCOCC1 ZINC000646649370 565612261 /nfs/dbraw/zinc/61/22/61/565612261.db2.gz BUYUFFSYRZCTRF-PBHICJAKSA-N 1 0 386.323 2.625 20 0 GFADRO O=C(NCCc1ccc(I)cc1)[C@H]1CCC[N@@H+]1C1CC1 ZINC000598393772 565612934 /nfs/dbraw/zinc/61/29/34/565612934.db2.gz REUPBRUWNKFYFC-OAHLLOKOSA-N 1 0 384.261 2.577 20 0 GFADRO [NH3+]C1CCC(NC(=O)[C@H](c2ccc(Br)cc2)N2CCCC2)CC1 ZINC000646664854 565613316 /nfs/dbraw/zinc/61/33/16/565613316.db2.gz SVTNBJXCVUXBCY-JCYILVPMSA-N 1 0 380.330 2.972 20 0 GFADRO O=C([C@@H]1CCO[C@H]1c1cncc(Br)c1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000668009364 565619115 /nfs/dbraw/zinc/61/91/15/565619115.db2.gz UUUCEJQIYRRHID-ZACQAIPSSA-N 1 0 394.313 2.618 20 0 GFADRO COCCN(CC[NH+](C)C)C(=O)Nc1ccc(F)c(Br)c1F ZINC000668044992 565625419 /nfs/dbraw/zinc/62/54/19/565625419.db2.gz DYFYQVGTOFVCHF-UHFFFAOYSA-N 1 0 380.233 2.769 20 0 GFADRO C[N@@H+]1C[C@H]2CCN(C(=O)CCNc3ncc(C(F)(F)F)cc3Cl)[C@@H]2C1 ZINC000646933305 565626380 /nfs/dbraw/zinc/62/63/80/565626380.db2.gz ADZYDETVFXOMMN-ZWNOBZJWSA-N 1 0 376.810 2.718 20 0 GFADRO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)[C@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)C1 ZINC000646927301 565626547 /nfs/dbraw/zinc/62/65/47/565626547.db2.gz IFIPUQQGCKABAO-RBOXIYTFSA-N 1 0 382.291 2.509 20 0 GFADRO CC(C)[C@@H]1CN(C(=O)c2cc(F)c(F)cc2I)CC[NH2+]1 ZINC000598571203 565627450 /nfs/dbraw/zinc/62/74/50/565627450.db2.gz HWTDMMMPZRWBRT-ZDUSSCGKSA-N 1 0 394.203 2.639 20 0 GFADRO C[N@@H+]1CCCC[C@@H](CNS(=O)(=O)c2ccc(F)cc2Br)C1 ZINC000625422682 565629872 /nfs/dbraw/zinc/62/98/72/565629872.db2.gz SCQJRIMMQYXITC-NSHDSACASA-N 1 0 379.295 2.598 20 0 GFADRO CC1(C)COCCN1CCNC(=O)c1cc2cc(Br)sc2[nH]1 ZINC000668170614 565630570 /nfs/dbraw/zinc/63/05/70/565630570.db2.gz VIRQFSWIASOKRV-UHFFFAOYSA-N 1 0 386.315 2.833 20 0 GFADRO CC(=O)N1CC[C@@H]([NH2+]Cc2cc(Cl)ccc2I)C1 ZINC000598649590 565631790 /nfs/dbraw/zinc/63/17/90/565631790.db2.gz PPIZCXXQVCSZQD-GFCCVEGCSA-N 1 0 378.641 2.655 20 0 GFADRO CC[C@@H]1CN(C(=O)c2ccc(-n3cc(Br)cn3)cc2)CC[C@@H]1[NH3+] ZINC000647005986 565632260 /nfs/dbraw/zinc/63/22/60/565632260.db2.gz IRMDZRSLGUMFJL-WBMJQRKESA-N 1 0 377.286 2.834 20 0 GFADRO C[C@@H]([NH3+])[C@H](C)NC(=O)c1ccc(NC(=O)c2ccc(Br)o2)cc1 ZINC000647068056 565635355 /nfs/dbraw/zinc/63/53/55/565635355.db2.gz OBYSDKTTWAYIOH-ZJUUUORDSA-N 1 0 380.242 2.760 20 0 GFADRO C[C@H](CC(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1)n1cc(Br)cn1 ZINC000647091658 565636746 /nfs/dbraw/zinc/63/67/46/565636746.db2.gz ZIIMVIRXKLPHIR-DIOULYMOSA-N 1 0 395.276 2.689 20 0 GFADRO C[C@H](CNC(=O)c1ccc(OC(F)(F)F)c(Cl)c1)N1CC[NH+](C)CC1 ZINC000625570530 565639932 /nfs/dbraw/zinc/63/99/32/565639932.db2.gz NCDGWMREDAVVBJ-LLVKDONJSA-N 1 0 379.810 2.604 20 0 GFADRO O=C1C[C@@H](c2nc([C@H]3CCC[NH2+]3)no2)CN1c1cccc(Br)c1 ZINC000647152438 565641606 /nfs/dbraw/zinc/64/16/06/565641606.db2.gz FNRNITJOQUTJHW-ZWNOBZJWSA-N 1 0 377.242 2.777 20 0 GFADRO O=S(=O)(NCc1cccs1)c1ccsc1-c1nc([C@@H]2CCC[NH2+]2)no1 ZINC000647150636 565641690 /nfs/dbraw/zinc/64/16/90/565641690.db2.gz KJXBJKBWEKNOLD-NSHDSACASA-N 1 0 396.519 2.763 20 0 GFADRO COc1ccccc1[C@H]([NH3+])CNS(=O)(=O)c1ccc(C(F)(F)F)s1 ZINC000647187504 565644486 /nfs/dbraw/zinc/64/44/86/565644486.db2.gz PAKXSVCOFXYKMQ-SNVBAGLBSA-N 1 0 380.413 2.754 20 0 GFADRO OCC[C@@]1(C[NH2+]Cc2cc(OC(F)F)ccc2Br)CCOC1 ZINC000647192429 565646420 /nfs/dbraw/zinc/64/64/20/565646420.db2.gz FVPYAZPDHIHWIO-HNNXBMFYSA-N 1 0 380.229 2.929 20 0 GFADRO CC1(C)C[NH2+]CCN1S(=O)(=O)Cc1ccc(Br)cc1Cl ZINC000647228590 565647065 /nfs/dbraw/zinc/64/70/65/565647065.db2.gz HAZPOVOSEZIMRQ-UHFFFAOYSA-N 1 0 381.723 2.616 20 0 GFADRO CC[NH+](CC)CCS(=O)(=O)NCCc1c[nH]c2cc(F)c(Cl)cc12 ZINC000625630692 565648063 /nfs/dbraw/zinc/64/80/63/565648063.db2.gz BUJNCRDBFJLESH-UHFFFAOYSA-N 1 0 375.897 2.764 20 0 GFADRO Cc1cc(Br)cn2c(C[NH2+]CC(C)(C)[C@@]3(O)CCOC3)cnc12 ZINC000647247221 565649781 /nfs/dbraw/zinc/64/97/81/565649781.db2.gz DDGHOIBLKCYQHB-QGZVFWFLSA-N 1 0 382.302 2.672 20 0 GFADRO O=S(=O)(c1cc(Cl)c(Br)cc1F)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000647263899 565650364 /nfs/dbraw/zinc/65/03/64/565650364.db2.gz HTJBUJPRHSVUKJ-UFBFGSQYSA-N 1 0 397.697 2.614 20 0 GFADRO O=S(=O)(Cc1cc(Cl)ccc1Br)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000647264777 565650375 /nfs/dbraw/zinc/65/03/75/565650375.db2.gz RVPHFFVFYHEANZ-QMTHXVAHSA-N 1 0 393.734 2.616 20 0 GFADRO CC[C@H]1CN(S(=O)(=O)Cc2ccc(Br)cc2Cl)CC[C@H]1[NH3+] ZINC000647270114 565651466 /nfs/dbraw/zinc/65/14/66/565651466.db2.gz NPQBKJJGURKDPS-IINYFYTJSA-N 1 0 395.750 2.992 20 0 GFADRO CN(C)C(=O)CN(CC[NH+](C)C)Cc1ccc(Br)c(Cl)c1 ZINC000668557471 565653447 /nfs/dbraw/zinc/65/34/47/565653447.db2.gz IWTCUIGRVCVSNC-UHFFFAOYSA-N 1 0 376.726 2.554 20 0 GFADRO C[NH2+]C[C@@H]1C[C@H](F)CN1S(=O)(=O)Cc1ccc(Br)cc1Cl ZINC000647292912 565655146 /nfs/dbraw/zinc/65/51/46/565655146.db2.gz KYDNRBBATGUKQL-RYUDHWBXSA-N 1 0 399.713 2.564 20 0 GFADRO C[NH2+]C[C@@H]1C[C@H](F)CN1S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000647293821 565655625 /nfs/dbraw/zinc/65/56/25/565655625.db2.gz CMDGWJHYWURCPL-IUCAKERBSA-N 1 0 375.680 2.967 20 0 GFADRO O=S(=O)(c1ccccc1Br)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647306657 565655745 /nfs/dbraw/zinc/65/57/45/565655745.db2.gz DAULQYWMFSPGSD-UONOGXRCSA-N 1 0 387.343 2.849 20 0 GFADRO CCOc1cc(C[N@H+](CCOCCO)C2CCC2)cc(Br)c1O ZINC000668574526 565655769 /nfs/dbraw/zinc/65/57/69/565655769.db2.gz IVFUPIPWYOOWFM-UHFFFAOYSA-N 1 0 388.302 2.917 20 0 GFADRO C[C@H]1NC(=O)N(CC[N@@H+]2CC[C@@H](Sc3ccc(Br)cc3)C2)C1=O ZINC000625701141 565655860 /nfs/dbraw/zinc/65/58/60/565655860.db2.gz NMJISGPAJVETHO-BXUZGUMPSA-N 1 0 398.326 2.556 20 0 GFADRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+]C[C@H]2CSc3ccccc3O2)cc1 ZINC000647314041 565656613 /nfs/dbraw/zinc/65/66/13/565656613.db2.gz INCCNBMJINRUGK-ZFWWWQNUSA-N 1 0 378.519 2.799 20 0 GFADRO Cc1cc(Br)cc(C)c1S(=O)(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000647309761 565656810 /nfs/dbraw/zinc/65/68/10/565656810.db2.gz SOJRFHDZZWGKQD-OKILXGFUSA-N 1 0 387.343 2.686 20 0 GFADRO O=S(=O)(c1cc(Br)ccc1F)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000647323420 565658046 /nfs/dbraw/zinc/65/80/46/565658046.db2.gz ICKXYPUCBMVRED-NWDGAFQWSA-N 1 0 391.306 2.598 20 0 GFADRO O=S(=O)(c1sccc1Br)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000647323457 565658359 /nfs/dbraw/zinc/65/83/59/565658359.db2.gz OGFXQAKFZWTDLE-MNOVXSKESA-N 1 0 379.345 2.521 20 0 GFADRO CC1CCN(C(=O)C[NH2+][C@]2(CO)CCc3cc(Br)ccc3C2)CC1 ZINC000625794799 565659816 /nfs/dbraw/zinc/65/98/16/565659816.db2.gz MVWVKJBAWXJRRA-LJQANCHMSA-N 1 0 395.341 2.517 20 0 GFADRO COc1ccncc1C[NH2+][C@]1(CO)CCc2cc(Br)ccc2C1 ZINC000625796070 565660603 /nfs/dbraw/zinc/66/06/03/565660603.db2.gz DVFGWXBQWVUKND-GOSISDBHSA-N 1 0 377.282 2.862 20 0 GFADRO CCn1nccc1CC[NH2+][C@]1(CO)CCc2cc(Br)ccc2C1 ZINC000625797137 565660730 /nfs/dbraw/zinc/66/07/30/565660730.db2.gz QKUSNLKVKRWXPK-GOSISDBHSA-N 1 0 378.314 2.718 20 0 GFADRO CC[C@@H]1C[N@H+](C)CCN1C(=O)c1cc(=O)[nH]c2ccc(Br)cc21 ZINC000647458306 565660775 /nfs/dbraw/zinc/66/07/75/565660775.db2.gz QKHZPAOTSLXVJF-GFCCVEGCSA-N 1 0 378.270 2.869 20 0 GFADRO OC[C@@]1([NH2+]CCOCC(F)(F)F)CCc2cc(Br)ccc2C1 ZINC000625795437 565661010 /nfs/dbraw/zinc/66/10/10/565661010.db2.gz VWAMQDFURJNIES-CQSZACIVSA-N 1 0 382.220 2.837 20 0 GFADRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)Nc1ccc(Br)c2ccccc12 ZINC000647494611 565661691 /nfs/dbraw/zinc/66/16/91/565661691.db2.gz FHXDJLLIICVXNJ-GHMZBOCLSA-N 1 0 378.270 2.783 20 0 GFADRO OCc1ccc(CC[NH2+]C[C@H](O)COc2cc(F)cc(Br)c2)cc1 ZINC000647524503 565662395 /nfs/dbraw/zinc/66/23/95/565662395.db2.gz PQNUNKHIISHZKC-KRWDZBQOSA-N 1 0 398.272 2.653 20 0 GFADRO CC[C@H](C)C[C@H](CO)[NH2+]CCS(=O)(=O)c1cccc(Br)c1 ZINC000647524891 565662523 /nfs/dbraw/zinc/66/25/23/565662523.db2.gz KMYIUXAJNFNLCU-GXTWGEPZSA-N 1 0 378.332 2.610 20 0 GFADRO Brc1ccc(C[N@@H+]2CC[C@@H]3COC[C@@H]3C2)c(N2CCOCC2)c1 ZINC000668705086 565662556 /nfs/dbraw/zinc/66/25/56/565662556.db2.gz GEMIUBXPAMTIAW-CVEARBPZSA-N 1 0 381.314 2.754 20 0 GFADRO O=S(=O)(CC[NH2+]C[C@@H](CO)c1ccccc1)c1cccc(Br)c1 ZINC000647524498 565663024 /nfs/dbraw/zinc/66/30/24/565663024.db2.gz PKBDCEJVVBOYKE-HNNXBMFYSA-N 1 0 398.322 2.589 20 0 GFADRO CC(C)Oc1cc(Br)cc(NC(=O)NCC2([NH3+])CCOCC2)c1 ZINC000625866406 565663414 /nfs/dbraw/zinc/66/34/14/565663414.db2.gz MBPSUEKXIBXMLZ-UHFFFAOYSA-N 1 0 386.290 2.866 20 0 GFADRO O=C(Nc1nc(Cc2ccccc2Br)cs1)N[C@@H]1CC[NH2+]C1 ZINC000625877522 565664423 /nfs/dbraw/zinc/66/44/23/565664423.db2.gz MYKWNYCTPCBHJY-LLVKDONJSA-N 1 0 381.299 2.980 20 0 GFADRO COc1sc(CN2CCC([N@@H+]3CC[C@@H](O)C3)CC2)cc1Br ZINC000668738499 565664802 /nfs/dbraw/zinc/66/48/02/565664802.db2.gz DZKLEKNQFVMZLZ-GFCCVEGCSA-N 1 0 375.332 2.550 20 0 GFADRO C[NH2+]CCOCCN(C)C(=O)N[C@H](c1ccc(F)c(Cl)c1)C(F)(F)F ZINC000625883264 565664819 /nfs/dbraw/zinc/66/48/19/565664819.db2.gz UXSJNCYRUKERIA-CYBMUJFWSA-N 1 0 385.789 2.960 20 0 GFADRO CCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@H](C)c2c(Cl)cccc2Cl)C1 ZINC000668781418 565665908 /nfs/dbraw/zinc/66/59/08/565665908.db2.gz STNHCYSBMXNJMV-STQMWFEESA-N 1 0 386.323 2.814 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)c1cc(=O)[nH]c2c(Br)cccc12 ZINC000647617490 565666581 /nfs/dbraw/zinc/66/65/81/565666581.db2.gz UQPYGJLQYUEGSK-ZIAGYGMSSA-N 1 0 378.270 2.915 20 0 GFADRO C[N@H+](Cc1cc(Br)c2c(c1)OCCCO2)C1(CO)CCOCC1 ZINC000668805405 565666940 /nfs/dbraw/zinc/66/69/40/565666940.db2.gz DIBLUWVTSVMILP-UHFFFAOYSA-N 1 0 386.286 2.584 20 0 GFADRO C[NH+](C)CCC[C@@H]1CN(Cc2cnc3ccc(Br)cn23)CCO1 ZINC000668785677 565667320 /nfs/dbraw/zinc/66/73/20/565667320.db2.gz UXYBJKUFMFFNEI-MRXNPFEDSA-N 1 0 381.318 2.639 20 0 GFADRO CCOc1cc(C[N@H+](C)C2(CO)CCOCC2)cc(Br)c1OC ZINC000668805265 565667696 /nfs/dbraw/zinc/66/76/96/565667696.db2.gz AWQJRBJMFNDOQM-UHFFFAOYSA-N 1 0 388.302 2.830 20 0 GFADRO OCC[C@H]([NH2+]C[C@H](O)COC1CCOCC1)c1cc(Cl)cc(Cl)c1 ZINC000626101467 565674843 /nfs/dbraw/zinc/67/48/43/565674843.db2.gz TWURSNXCKNUIRW-RDJZCZTQSA-N 1 0 378.296 2.563 20 0 GFADRO CN(CCN1CC[NH2+]CC1)C(=O)C1(c2ccc(Br)cc2)CCCC1 ZINC000647774492 565676078 /nfs/dbraw/zinc/67/60/78/565676078.db2.gz FLWSSFVJZHBZIN-UHFFFAOYSA-N 1 0 394.357 2.625 20 0 GFADRO C[C@@H](NC(=O)c1cc(Br)cc2c1OCCO2)C(C)(C)C[NH+](C)C ZINC000669155489 565679677 /nfs/dbraw/zinc/67/96/77/565679677.db2.gz IJLMMVLAAFFDLJ-LLVKDONJSA-N 1 0 385.302 2.926 20 0 GFADRO [NH3+]CCN(CCO)CC(=O)Nc1ccccc1Sc1ccc(Cl)cc1 ZINC000647908684 565683024 /nfs/dbraw/zinc/68/30/24/565683024.db2.gz NWSQALUTHVBBCW-UHFFFAOYSA-N 1 0 379.913 2.683 20 0 GFADRO CC[C@@H]1CN([C@H](C)C(=O)N(C)Cc2ccc(Br)cc2)CC[C@H]1[NH3+] ZINC000647938477 565684837 /nfs/dbraw/zinc/68/48/37/565684837.db2.gz OGGHCUMKDAMDCS-FRFSOERESA-N 1 0 382.346 2.855 20 0 GFADRO Cc1nn(C)c(NC(=O)NCC[N@@H+]2CCc3ccccc3C2)c1Br ZINC000647984214 565686504 /nfs/dbraw/zinc/68/65/04/565686504.db2.gz NARKLPHJLYMVKF-UHFFFAOYSA-N 1 0 392.301 2.671 20 0 GFADRO O=C([C@@H]1C[NH2+]CCC1(F)F)N1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000648016881 565686884 /nfs/dbraw/zinc/68/68/84/565686884.db2.gz KXSAMVOCZGCISY-KBPBESRZSA-N 1 0 389.240 2.594 20 0 GFADRO COc1cc(Br)ccc1[C@@H]1CCC[N@@H+]1CCCC(=O)NC(N)=O ZINC000599572979 565689114 /nfs/dbraw/zinc/68/91/14/565689114.db2.gz KKWACOXZOTVCCW-ZDUSSCGKSA-N 1 0 384.274 2.570 20 0 GFADRO C[C@H](CNC(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1)Oc1ccc(Br)cc1 ZINC000669506342 565691705 /nfs/dbraw/zinc/69/17/05/565691705.db2.gz URQWJXZXXIWZGN-OAUYIBNBSA-N 1 0 396.329 2.904 20 0 GFADRO C[C@H](Cc1cc(Br)ccc1F)NC(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000669544210 565692121 /nfs/dbraw/zinc/69/21/21/565692121.db2.gz IRCCSFHNCPYJDX-HSMVNMDESA-N 1 0 384.293 2.913 20 0 GFADRO O=C(NCCc1c[nH]c2ccc(Br)cc12)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000669557378 565692267 /nfs/dbraw/zinc/69/22/67/565692267.db2.gz RCCMDHHQEZZKRQ-XJKSGUPXSA-N 1 0 391.313 2.866 20 0 GFADRO Cn1nc2cc(Br)ccc2c1C(=O)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000648176782 565692385 /nfs/dbraw/zinc/69/23/85/565692385.db2.gz MWFQMZXGJXENEK-BLLLJJGKSA-N 1 0 391.313 2.940 20 0 GFADRO COc1ccc(I)c(NC(=O)N[C@H]2CC[C@H](C)[NH2+]C2)c1 ZINC000599600168 565692837 /nfs/dbraw/zinc/69/28/37/565692837.db2.gz ZIVIWHOGJJBNRP-UWVGGRQHSA-N 1 0 389.237 2.562 20 0 GFADRO O=C(N[C@@H]1C[C@H]1C1CC[NH2+]CC1)N[C@@H]1CCOc2c(Br)cccc21 ZINC000669580675 565693343 /nfs/dbraw/zinc/69/33/43/565693343.db2.gz WOYDCBVLNLATII-NUEKZKHPSA-N 1 0 394.313 2.960 20 0 GFADRO O=C(N[C@H]1CC[NH2+]C12CCCC2)c1cc(Br)c2c(c1)OCCO2 ZINC000648209643 565693577 /nfs/dbraw/zinc/69/35/77/565693577.db2.gz ZVLSCNKADLKGCZ-AWEZNQCLSA-N 1 0 381.270 2.625 20 0 GFADRO CC(C)Oc1ccc(Br)cc1NC(=O)NC[C@H]1COCCN1C ZINC000626450325 565693756 /nfs/dbraw/zinc/69/37/56/565693756.db2.gz FDYATIWJDVSGML-ZDUSSCGKSA-N 1 0 386.290 2.688 20 0 GFADRO C[C@@H]1C[NH+](CCCNC(=O)c2cc(Br)cc3[nH]cnc32)C[C@@H](C)O1 ZINC000669694529 565699560 /nfs/dbraw/zinc/69/95/60/565699560.db2.gz SVKJVUINNKAGHW-VXGBXAGGSA-N 1 0 395.301 2.555 20 0 GFADRO COCC[N@@H+]1CCC[C@@H](NC(=O)c2cc3c(Br)cccc3cn2)C1 ZINC000648280291 565699707 /nfs/dbraw/zinc/69/97/07/565699707.db2.gz HSFOLRIFDNYTTB-CQSZACIVSA-N 1 0 392.297 2.838 20 0 GFADRO CS(=O)(=O)NC1CC([NH2+]Cc2ccc(-c3ccc(Br)cc3)o2)C1 ZINC000669831845 565703046 /nfs/dbraw/zinc/70/30/46/565703046.db2.gz AIQFJEAAXKZPEB-UHFFFAOYSA-N 1 0 399.310 2.879 20 0 GFADRO Cc1cc(C)c(C(=O)N2CCC[C@](O)(C[NH+](C)C)C2)c(C)c1Br ZINC000626677703 565708101 /nfs/dbraw/zinc/70/81/01/565708101.db2.gz QLAQFWGTQAAMJJ-SFHVURJKSA-N 1 0 383.330 2.903 20 0 GFADRO CCN(C(=O)c1cc(F)ccc1I)C1CC[NH+](C)CC1 ZINC000599985589 565708825 /nfs/dbraw/zinc/70/88/25/565708825.db2.gz HEPCOFBIQOPJRC-UHFFFAOYSA-N 1 0 390.240 2.987 20 0 GFADRO COC(=O)[C@H]1CN(C)CCN(C(=O)c2cc(C(F)(F)F)ccc2Cl)C1 ZINC000600012371 565711051 /nfs/dbraw/zinc/71/10/51/565711051.db2.gz PCMOSWXNINXMAE-JTQLQIEISA-N 1 0 378.778 2.536 20 0 GFADRO Cc1cc(Br)c(Cl)cc1NC(=O)C(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000626892997 565714396 /nfs/dbraw/zinc/71/43/96/565714396.db2.gz JTDOFJNAKPYMEH-NXEZZACHSA-N 1 0 388.693 2.606 20 0 GFADRO C[C@H](C[NH2+]Cc1cnn(CC(F)(F)F)c1)c1ccc(S(C)(=O)=O)cc1 ZINC000648482717 565715888 /nfs/dbraw/zinc/71/58/88/565715888.db2.gz HYJKGKZGEMBJKH-GFCCVEGCSA-N 1 0 375.416 2.742 20 0 GFADRO Cc1csc(CCCCNC(=O)N2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)n1 ZINC000626965700 565717109 /nfs/dbraw/zinc/71/71/09/565717109.db2.gz KXAVXPPUKZPSPS-QWHCGFSZSA-N 1 0 378.464 2.943 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[N@@H+]1CCC[C@@H](OC)CC1 ZINC000648512639 565717374 /nfs/dbraw/zinc/71/73/74/565717374.db2.gz XBKJAPILOOOZNF-XJKSGUPXSA-N 1 0 399.329 2.963 20 0 GFADRO [NH3+]CCCOCCNC(=O)NCCc1csc(-c2ccc(Cl)cc2)n1 ZINC000627005824 565718996 /nfs/dbraw/zinc/71/89/96/565718996.db2.gz KZEFAEFRPGHABA-UHFFFAOYSA-N 1 0 382.917 2.671 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)NCCOc2ccccc2Cl)CC[C@H]1C(F)(F)F ZINC000627004691 565719151 /nfs/dbraw/zinc/71/91/51/565719151.db2.gz QIKIQGZVWBMJHB-VXGBXAGGSA-N 1 0 379.810 2.888 20 0 GFADRO COCC[C@H](NC(=O)N(C)CCOCC[NH3+])c1ccc(Cl)c(Cl)c1 ZINC000627031838 565720794 /nfs/dbraw/zinc/72/07/94/565720794.db2.gz JVMBSMDAOLPIDP-HNNXBMFYSA-N 1 0 378.300 2.688 20 0 GFADRO C[C@@H]1CC[C@@H](NC(=O)NCCc2c[nH]c3cccc(Br)c23)C[NH2+]1 ZINC000627037758 565720937 /nfs/dbraw/zinc/72/09/37/565720937.db2.gz BSCFXKVYLQPNPE-DGCLKSJQSA-N 1 0 379.302 2.913 20 0 GFADRO Cc1cc(Br)cc2cc(C(=O)NC[C@@H]3C[N@@H+]4CCN3CCC4)oc21 ZINC000670408039 565721160 /nfs/dbraw/zinc/72/11/60/565721160.db2.gz GEKVBIBEIXSCSS-OAHLLOKOSA-N 1 0 392.297 2.623 20 0 GFADRO Cc1cc(Br)ccc1[C@H]1CCCN1C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000627101435 565721961 /nfs/dbraw/zinc/72/19/61/565721961.db2.gz BGTNQBZPXCBXCL-DOTOQJQBSA-N 1 0 396.329 2.983 20 0 GFADRO O=C(N[C@H]1CC[NH2+]C12CCC2)N1CCOc2cccc(Br)c2C1 ZINC000627127189 565722955 /nfs/dbraw/zinc/72/29/55/565722955.db2.gz UYQHILMZOOVOKD-HNNXBMFYSA-N 1 0 380.286 2.638 20 0 GFADRO C[C@@H]1CC[C@@H](NC(=O)N2CCO[C@@H](c3ccc(Br)cc3)C2)C[NH2+]1 ZINC000627194771 565726094 /nfs/dbraw/zinc/72/60/94/565726094.db2.gz HACVHQZAHACAQF-DAXOMENPSA-N 1 0 382.302 2.673 20 0 GFADRO Cn1nc2cc(Br)ccc2c1C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000648764120 565726971 /nfs/dbraw/zinc/72/69/71/565726971.db2.gz ZGUKINVWHVUWTG-CYBMUJFWSA-N 1 0 377.286 2.646 20 0 GFADRO C[C@@H](CNC(=O)C(=O)N[C@@H]1CC[NH2+]C12CCC2)c1c(Cl)cccc1Cl ZINC000627365897 565735107 /nfs/dbraw/zinc/73/51/07/565735107.db2.gz BIPPNKHCNNRDSM-SMDDNHRTSA-N 1 0 384.307 2.614 20 0 GFADRO CCN(CC[NH3+])C(=O)C(=O)NCC(CC)(CC)c1ccc(Cl)c(Cl)c1 ZINC000627380566 565735459 /nfs/dbraw/zinc/73/54/59/565735459.db2.gz SWRTXADMMBOUTH-UHFFFAOYSA-N 1 0 388.339 2.975 20 0 GFADRO CC[NH+](CC)CCOCCNC(=O)c1c(F)ccc(Br)c1OC ZINC000648860693 565735636 /nfs/dbraw/zinc/73/56/36/565735636.db2.gz VYPNMHXNEODLDY-UHFFFAOYSA-N 1 0 391.281 2.685 20 0 GFADRO CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)NCCSc2ccc(Cl)cc2)C1 ZINC000670677772 565736492 /nfs/dbraw/zinc/73/64/92/565736492.db2.gz DAWMCHGOHDOIAD-OAHLLOKOSA-N 1 0 383.945 2.537 20 0 GFADRO COc1cc(C(=O)N2CCC([N@@H+]3CCOC[C@@H]3C)CC2)ccc1Br ZINC000627428181 565736590 /nfs/dbraw/zinc/73/65/90/565736590.db2.gz YFAZHLWTDWFITJ-ZDUSSCGKSA-N 1 0 397.313 2.783 20 0 GFADRO C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)c1ccc(Br)cc1OCCCO ZINC000648909926 565738553 /nfs/dbraw/zinc/73/85/53/565738553.db2.gz PIYQVBYKTYPHQF-XJKCOSOUSA-N 1 0 399.329 2.728 20 0 GFADRO COCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccc(Br)cc2)C1 ZINC000648917680 565739875 /nfs/dbraw/zinc/73/98/75/565739875.db2.gz QAIRVQNKZFMWLA-IXDOHACOSA-N 1 0 381.314 2.780 20 0 GFADRO CN(Cc1ccccc1Br)C(=O)C[NH2+][C@@](C)(CO)c1ccccc1 ZINC000600644110 565739965 /nfs/dbraw/zinc/73/99/65/565739965.db2.gz FNYNTWUMTIBZQR-IBGZPJMESA-N 1 0 391.309 2.905 20 0 GFADRO C[NH+](C)[C@@H]1[C@H]2CN(C(=O)[C@H](c3ccc(Br)cc3)N3CCCC3)C[C@H]21 ZINC000627651789 565744982 /nfs/dbraw/zinc/74/49/82/565744982.db2.gz DFDCDFRRULKZCB-XWTMOSNGSA-N 1 0 392.341 2.604 20 0 GFADRO C[C@H](NC(=O)C(=O)N1CC[C@@H]2CC[N@H+](C)C[C@@H]21)c1cc(Cl)ccc1Cl ZINC000670927314 565745465 /nfs/dbraw/zinc/74/54/65/565745465.db2.gz ZSIGWQPDJBXYKK-MKBNYLNASA-N 1 0 384.307 2.723 20 0 GFADRO O=C(CCc1cccc(F)c1Br)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000649140617 565750402 /nfs/dbraw/zinc/75/04/02/565750402.db2.gz BWVLGDACJSUOEG-HNNXBMFYSA-N 1 0 399.304 2.890 20 0 GFADRO O=C(NC[C@H]1CC[N@@H+]1C1CCCCC1)C(=O)Nc1cccc(Br)c1 ZINC000627754680 565750485 /nfs/dbraw/zinc/75/04/85/565750485.db2.gz DZZSWSYXXQCGLH-MRXNPFEDSA-N 1 0 394.313 2.911 20 0 GFADRO O=C(CCc1cccc(F)c1Br)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000649140618 565750935 /nfs/dbraw/zinc/75/09/35/565750935.db2.gz BWVLGDACJSUOEG-OAHLLOKOSA-N 1 0 399.304 2.890 20 0 GFADRO C[C@H]([NH2+]Cc1cc(Cl)cc(S(N)(=O)=O)c1)[C@H]1OCCc2sccc21 ZINC000649617419 565769251 /nfs/dbraw/zinc/76/92/51/565769251.db2.gz HSCRRRRLLQUIOA-MGPLVRAMSA-N 1 0 386.926 2.841 20 0 GFADRO O=C(N1CCCC1)[C@]1(O)CCC[N@H+](Cc2cnc(-c3cccs3)s2)C1 ZINC000671493917 565769232 /nfs/dbraw/zinc/76/92/32/565769232.db2.gz FPMJLEQTPGQBAC-SFHVURJKSA-N 1 0 377.535 2.821 20 0 GFADRO O=C(c1[nH]c2ccccc2c1Br)N1CCC([NH+]2CCOCC2)CC1 ZINC000628126652 565774194 /nfs/dbraw/zinc/77/41/94/565774194.db2.gz ALHKJJWVLLFTFZ-UHFFFAOYSA-N 1 0 392.297 2.867 20 0 GFADRO O=C([C@@H]1C[C@H]1c1ccc(Br)cc1)N1CCC([NH+]2CCOCC2)CC1 ZINC000628122333 565775166 /nfs/dbraw/zinc/77/51/66/565775166.db2.gz SOABGSVOAXOXBE-ZWKOTPCHSA-N 1 0 393.325 2.876 20 0 GFADRO C[C@H](C(=O)Nc1ccc(Br)cc1)[NH+]1CCC(Cn2cnnc2)CC1 ZINC000649786519 565777870 /nfs/dbraw/zinc/77/78/70/565777870.db2.gz PHCNGUXGJNTKFL-CYBMUJFWSA-N 1 0 392.301 2.780 20 0 GFADRO O=S(=O)(C[C@@H](O)C[NH2+]CCc1cccc(C(F)(F)F)c1)c1cccs1 ZINC000628229708 565780462 /nfs/dbraw/zinc/78/04/62/565780462.db2.gz FSROFYIVASYYEE-AWEZNQCLSA-N 1 0 393.452 2.734 20 0 GFADRO CO[C@]1(CO)CCC[N@H+](Cc2c[nH]nc2-c2ccc(Br)s2)C1 ZINC000628338014 565784637 /nfs/dbraw/zinc/78/46/37/565784637.db2.gz XOXNMGVIMYGDNC-OAHLLOKOSA-N 1 0 386.315 2.874 20 0 GFADRO CS(=O)(=O)N1CCC([NH2+]C[C@@H](OCC2CC2)c2ccc(Cl)cc2)CC1 ZINC000671764639 565784719 /nfs/dbraw/zinc/78/47/19/565784719.db2.gz OAAKBAMHBZSTEW-GOSISDBHSA-N 1 0 386.945 2.821 20 0 GFADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)NCCc1cc(Cl)cc(Cl)c1 ZINC000671813692 565787236 /nfs/dbraw/zinc/78/72/36/565787236.db2.gz ZBHPAZUSRMWDAI-INIZCTEOSA-N 1 0 386.323 2.643 20 0 GFADRO O=c1cc(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)nc2ccc(Br)cn12 ZINC000649974963 565790171 /nfs/dbraw/zinc/79/01/71/565790171.db2.gz MBCCWFLOVWIVEK-XKQJLSEDSA-N 1 0 390.281 2.504 20 0 GFADRO C[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCOc4ccc(Br)cc43)C2)C1 ZINC000650051717 565794293 /nfs/dbraw/zinc/79/42/93/565794293.db2.gz IBBOZOVTNWWYED-RDTXWAMCSA-N 1 0 379.298 2.869 20 0 GFADRO CC(C)C[N@H+](C)CCCNC(=O)Nc1ccc(Cl)c(S(C)(=O)=O)c1 ZINC000650148623 565799008 /nfs/dbraw/zinc/79/90/08/565799008.db2.gz QXKLCJNUBOCSGT-UHFFFAOYSA-N 1 0 375.922 2.843 20 0 GFADRO C[C@@H]1[C@@H](C)[N@@H+](C)C[C@H](C)N1C(=O)c1cc(Br)c2c(c1)OCCO2 ZINC000650149247 565799122 /nfs/dbraw/zinc/79/91/22/565799122.db2.gz AGYYMFFLFGRFSZ-QJPTWQEYSA-N 1 0 383.286 2.773 20 0 GFADRO CCC[N@@H+]1CCC[C@H]1CNC(=O)c1cnc2ncc(Br)cc2c1 ZINC000672321649 565801949 /nfs/dbraw/zinc/80/19/49/565801949.db2.gz YKGVFTXCISTKRL-HNNXBMFYSA-N 1 0 377.286 2.997 20 0 GFADRO CC[C@H](C[NH+]1CCCC1)NS(=O)(=O)Cc1cccc(Br)c1 ZINC000672389527 565805846 /nfs/dbraw/zinc/80/58/46/565805846.db2.gz XBEWTOJTJUGBNT-OAHLLOKOSA-N 1 0 375.332 2.743 20 0 GFADRO Cc1cc(C[NH2+]C[C@@H](O)C[C@@](C)(O)C2CC2)ccc1I ZINC000601965606 565811100 /nfs/dbraw/zinc/81/11/00/565811100.db2.gz PNICKMFQFCZMOA-GOEBONIOSA-N 1 0 389.277 2.601 20 0 GFADRO [NH3+]CC[C@@H]1CCCN(c2ncnc3cc(I)sc32)C1 ZINC000601981243 565812294 /nfs/dbraw/zinc/81/22/94/565812294.db2.gz SRCVRRJSOODGFN-VIFPVBQESA-N 1 0 388.278 2.861 20 0 GFADRO CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N(C)Cc1cc(Cl)cc(Cl)c1 ZINC000672694984 565814259 /nfs/dbraw/zinc/81/42/59/565814259.db2.gz FTGRQORMGHCMMJ-MRXNPFEDSA-N 1 0 386.323 2.942 20 0 GFADRO CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N(C)Cc1c(Cl)cccc1Cl ZINC000672695135 565814952 /nfs/dbraw/zinc/81/49/52/565814952.db2.gz JPSCQHGFZNPMMN-CYBMUJFWSA-N 1 0 386.323 2.942 20 0 GFADRO O=C1CC[C@H]([NH2+]Cc2cc(Cl)cc(I)c2)CCN1 ZINC000602016852 565816421 /nfs/dbraw/zinc/81/64/21/565816421.db2.gz BAWAUFBRPCIHQV-LBPRGKRZSA-N 1 0 378.641 2.703 20 0 GFADRO C[NH+](C)C[C@H](NC(=O)c1cn2c(n1)COCC2)c1ccc(Cl)c(Cl)c1 ZINC000628969202 565816886 /nfs/dbraw/zinc/81/68/86/565816886.db2.gz ODLPMHGRYXJCRW-AWEZNQCLSA-N 1 0 383.279 2.753 20 0 GFADRO C[NH+](C)C[C@H](NC(=O)CCn1ccccc1=O)c1ccc(Cl)c(Cl)c1 ZINC000628968455 565817558 /nfs/dbraw/zinc/81/75/58/565817558.db2.gz JLQZASQYOLXDAS-INIZCTEOSA-N 1 0 382.291 2.964 20 0 GFADRO CNC(=O)c1cccc(NC(=O)N2CCC[C@H]([NH2+]C(C)C)C2)c1Br ZINC000672834015 565819427 /nfs/dbraw/zinc/81/94/27/565819427.db2.gz CLJFRADXDZDTII-LBPRGKRZSA-N 1 0 397.317 2.803 20 0 GFADRO CCN1CCN(C(=O)C(=O)Nc2nc(-c3ccc(C)s3)cs2)C[C@@H]1C ZINC000672938689 565823024 /nfs/dbraw/zinc/82/30/24/565823024.db2.gz WDDRIHJYCLYZIP-NSHDSACASA-N 1 0 378.523 2.671 20 0 GFADRO O=C(c1ccc2[nH]cc(I)c2c1)N1CC[NH+]2CCC1CC2 ZINC000602144323 565825428 /nfs/dbraw/zinc/82/54/28/565825428.db2.gz VGZKRWDDHHHYAD-UHFFFAOYSA-N 1 0 395.244 2.693 20 0 GFADRO CC[C@H](C)[NH2+][C@H](CNC(=O)Cc1cc[nH]c(=O)c1Br)c1ccco1 ZINC000673290795 565831919 /nfs/dbraw/zinc/83/19/19/565831919.db2.gz LZIOKCIFMWRKSG-WCQYABFASA-N 1 0 396.285 2.931 20 0 GFADRO Cc1cccc2c1C[C@H]([NH2+][C@H](C(N)=O)c1ccc(Br)cc1)CO2 ZINC000629252853 565832740 /nfs/dbraw/zinc/83/27/40/565832740.db2.gz XCBNXNSWIOEVRQ-YOEHRIQHSA-N 1 0 375.266 2.877 20 0 GFADRO O=C([C@@H]1CCOc2ccc(Br)cc21)N1CC[NH+](CC2CC2)CC1 ZINC000651143141 565847402 /nfs/dbraw/zinc/84/74/02/565847402.db2.gz IPADGRJSMPRIIK-OAHLLOKOSA-N 1 0 379.298 2.869 20 0 GFADRO C[S@](=O)C1(C(=O)Nc2nc(/C=C/c3ccccc3)cs2)CC[NH2+]CC1 ZINC000602467340 565849746 /nfs/dbraw/zinc/84/97/46/565849746.db2.gz XGNPCKBNHMZLOA-NJFIGMEYSA-N 1 0 375.519 2.753 20 0 GFADRO CS[C@H]1CCCCN(Cc2ccc(S(N)(=O)=O)c(Br)c2)C1 ZINC000602488335 565851141 /nfs/dbraw/zinc/85/11/41/565851141.db2.gz UNHCREACFCXKJY-LBPRGKRZSA-N 1 0 393.372 2.814 20 0 GFADRO COC[C@]1(C(=O)Nc2ccc(I)cc2F)CCCC[NH2+]1 ZINC000602525467 565852973 /nfs/dbraw/zinc/85/29/73/565852973.db2.gz HZMCXPINUJJZEB-AWEZNQCLSA-N 1 0 392.212 2.528 20 0 GFADRO Cc1csc(C(=O)N[C@@H]2CC[NH2+]C23CCC3)c1I ZINC000602534312 565853925 /nfs/dbraw/zinc/85/39/25/565853925.db2.gz SEMYBCNEZXGRIA-SECBINFHSA-N 1 0 376.263 2.676 20 0 GFADRO C[C@H]([NH2+]Cc1ccc(S(N)(=O)=O)c(Cl)c1)c1ccc([S@](C)=O)cc1 ZINC000602576039 565855503 /nfs/dbraw/zinc/85/55/03/565855503.db2.gz IQZOXDRYGKPNSW-RULNZOCKSA-N 1 0 386.926 2.576 20 0 GFADRO CCOC(=O)c1cc(C[NH2+]C[C@H](CO)Cc2ccc(Br)cc2)on1 ZINC000602637827 565859673 /nfs/dbraw/zinc/85/96/73/565859673.db2.gz NWYHNOMUAJAMCN-CYBMUJFWSA-N 1 0 397.269 2.555 20 0 GFADRO C[C@@H](NC(=O)CN1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)c1ccc(Br)cc1 ZINC000629585076 565860539 /nfs/dbraw/zinc/86/05/39/565860539.db2.gz ZWTFCDPMLZPGGW-XWIAVFTESA-N 1 0 380.330 2.558 20 0 GFADRO O[C@@H](CNc1ccc(CCn2cc(Br)cn2)cc1)C[NH+]1CCCC1 ZINC000629581447 565860682 /nfs/dbraw/zinc/86/06/82/565860682.db2.gz AYVYDZIEAKUDIZ-SFHVURJKSA-N 1 0 393.329 2.757 20 0 GFADRO C[C@@H]([NH2+]CC(=O)Nc1ccc(I)cc1)[C@H]1CC1(F)F ZINC000602655034 565860839 /nfs/dbraw/zinc/86/08/39/565860839.db2.gz SVHDTKFEJAESPB-LDYMZIIASA-N 1 0 380.176 2.863 20 0 GFADRO COCCC[N@H+](C)CCNC(=O)c1ccc(Br)c(OC(C)C)c1 ZINC000651382319 565860950 /nfs/dbraw/zinc/86/09/50/565860950.db2.gz GZECXSXWUJIFSF-UHFFFAOYSA-N 1 0 387.318 2.934 20 0 GFADRO CC[NH+]1CCN(CCC(=O)N[C@@H](CCO)c2cc(Cl)cc(Cl)c2)CC1 ZINC000629594817 565861623 /nfs/dbraw/zinc/86/16/23/565861623.db2.gz AGOWYQDSPTZFSC-KRWDZBQOSA-N 1 0 388.339 2.561 20 0 GFADRO COc1ncc(Br)cc1C[NH2+]C[C@@H](O)COCc1cccs1 ZINC000629593615 565861826 /nfs/dbraw/zinc/86/18/26/565861826.db2.gz SBKAPDOBMCWURB-CYBMUJFWSA-N 1 0 387.299 2.582 20 0 GFADRO Cc1cc(OC[C@H](O)C[NH2+][C@@H]2CCS(=O)(=O)[C@@H]2C)c(C(C)C)cc1Cl ZINC000629600715 565862965 /nfs/dbraw/zinc/86/29/65/565862965.db2.gz BSNAFBXDRJAOOM-CKEIUWERSA-N 1 0 389.945 2.677 20 0 GFADRO Cc1ccc(Cl)c(OC[C@@H](O)C[NH2+]C[C@H](n2cccn2)C(F)(F)F)c1 ZINC000629599075 565863051 /nfs/dbraw/zinc/86/30/51/565863051.db2.gz MXEQTOAVEMACOV-WFASDCNBSA-N 1 0 377.794 2.978 20 0 GFADRO CC(C)(O)C[N@H+](C[C@@H](O)COc1ccc(Cl)c(Cl)c1)C1CCOCC1 ZINC000674263945 565864746 /nfs/dbraw/zinc/86/47/46/565864746.db2.gz DJMHSJQQPMUVIN-CQSZACIVSA-N 1 0 392.323 2.985 20 0 GFADRO CO[C@H]1C[C@@H](C[NH2+]C[C@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000629616916 565865450 /nfs/dbraw/zinc/86/54/50/565865450.db2.gz MWTREWRBCJNLGO-WCFLWFBJSA-N 1 0 378.694 2.857 20 0 GFADRO COCCOCC[NH+]1CCN(c2nccc3cc(Br)ccc32)CC1 ZINC000651485144 565865551 /nfs/dbraw/zinc/86/55/51/565865551.db2.gz SPOMOWXCZZWQKF-UHFFFAOYSA-N 1 0 394.313 2.782 20 0 GFADRO COC1CC[NH+](CCNC(=O)[C@H](C)c2ccc(Br)s2)CC1 ZINC000674309473 565867389 /nfs/dbraw/zinc/86/73/89/565867389.db2.gz JKUATHXHMSGDBD-LLVKDONJSA-N 1 0 375.332 2.841 20 0 GFADRO COc1ccc(CCC(=O)NCC[NH+]2CCC(OC)CC2)cc1Br ZINC000674309689 565867789 /nfs/dbraw/zinc/86/77/89/565867789.db2.gz IKSIROUOIDQKOM-UHFFFAOYSA-N 1 0 399.329 2.617 20 0 GFADRO Cc1cc(C)c(C[NH2+]CCS(=O)(=O)c2cccc(Br)c2)c(=O)[nH]1 ZINC000674322114 565868404 /nfs/dbraw/zinc/86/84/04/565868404.db2.gz HOXQGCSWUSLXAX-UHFFFAOYSA-N 1 0 399.310 2.730 20 0 GFADRO CCN(C#N)CC[NH+]1CCC(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000602790204 565868444 /nfs/dbraw/zinc/86/84/44/565868444.db2.gz CQGBAVJFDMZBHJ-UHFFFAOYSA-N 1 0 379.302 2.903 20 0 GFADRO O=C(NCC[N@H+]1CC[C@H](O)C1)C1(c2cccc(Br)c2)CCCCC1 ZINC000629914558 565875272 /nfs/dbraw/zinc/87/52/72/565875272.db2.gz XLGFWTMUBDHQKU-KRWDZBQOSA-N 1 0 395.341 2.834 20 0 GFADRO Cc1cc(Br)sc1S(=O)(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000651585911 565876113 /nfs/dbraw/zinc/87/61/13/565876113.db2.gz HXHXWUUJAYLBNZ-MNOVXSKESA-N 1 0 379.345 2.676 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)C[N@@H+](C)C1CCC1 ZINC000629954099 565877668 /nfs/dbraw/zinc/87/76/68/565877668.db2.gz HDEAFMHTZKZBMS-UHFFFAOYSA-N 1 0 382.302 2.687 20 0 GFADRO CC[C@H]1Cc2c(Br)cccc2C[N@@H+]1C[C@H](O)CC1(O)CCOCC1 ZINC000630041209 565881227 /nfs/dbraw/zinc/88/12/27/565881227.db2.gz KMSUMFIGNBUNNI-JKSUJKDBSA-N 1 0 398.341 2.878 20 0 GFADRO COc1cc(Cl)c(S(=O)(=O)NCCC[N@H+](C)CC(C)C)cc1OC ZINC000651769042 565892765 /nfs/dbraw/zinc/89/27/65/565892765.db2.gz OOPGYWUNCRNJAI-UHFFFAOYSA-N 1 0 378.922 2.613 20 0 GFADRO C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N(C)[C@H]1C[NH+]2CCC1CC2 ZINC000603272865 565893389 /nfs/dbraw/zinc/89/33/89/565893389.db2.gz HOOYXVAZXMVJCZ-ABAIWWIYSA-N 1 0 384.307 2.664 20 0 GFADRO C[N@@H+]1CCC[C@H](CNC(=O)N2CCc3c(F)cc(Br)cc3C2)C1 ZINC000675245980 565896443 /nfs/dbraw/zinc/89/64/43/565896443.db2.gz JAYMYHYITFXOME-GFCCVEGCSA-N 1 0 384.293 2.998 20 0 GFADRO CCOC(=O)c1nc(N2CC[C@H](C[NH+]3CCCC3)C2)ccc1Br ZINC000603305520 565896517 /nfs/dbraw/zinc/89/65/17/565896517.db2.gz QCPYRDSWSLJFGI-CYBMUJFWSA-N 1 0 382.302 2.943 20 0 GFADRO C[C@@H](NC(=O)C[C@@H]1Sc2ccc(Cl)cc2NC1=O)C1CC[NH+](C)CC1 ZINC000603324736 565898069 /nfs/dbraw/zinc/89/80/69/565898069.db2.gz BHPQZAIZNQYNFE-BZNIZROVSA-N 1 0 381.929 2.989 20 0 GFADRO CCOC(=O)c1nc(N2CC[N@@H+](C3CC3)C[C@H](C)C2)ccc1Br ZINC000603386060 565902789 /nfs/dbraw/zinc/90/27/89/565902789.db2.gz SKXXFKFXBINYSP-LBPRGKRZSA-N 1 0 382.302 2.941 20 0 GFADRO CCN1C[C@@H](C[NH2+]Cc2cn(-c3ccc(Br)cc3)nc2C)CC1=O ZINC000651999079 565909598 /nfs/dbraw/zinc/90/95/98/565909598.db2.gz FASBYNQHBWMWKC-CQSZACIVSA-N 1 0 391.313 2.901 20 0 GFADRO Brc1cc(C[NH2+]C2CCN(C[C@@H]3CCCO3)CC2)cc2c1OCO2 ZINC000603516891 565910730 /nfs/dbraw/zinc/91/07/30/565910730.db2.gz FKGPLGRHPSLIJE-HNNXBMFYSA-N 1 0 397.313 2.911 20 0 GFADRO CS(=O)(=O)CC1CCC([NH2+]CCc2ccc3c(c2)OC(F)(F)O3)CC1 ZINC000652041961 565913463 /nfs/dbraw/zinc/91/34/63/565913463.db2.gz ZIUVGFZXEHCUSB-UHFFFAOYSA-N 1 0 375.437 2.744 20 0 GFADRO C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)NCCCN1CCC[N@H+](C)CC1 ZINC000603812649 565915457 /nfs/dbraw/zinc/91/54/57/565915457.db2.gz ZXZLZOYVMBKYHD-CQSZACIVSA-N 1 0 388.339 2.905 20 0 GFADRO O=C(CCCc1ccccc1Br)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000675785912 565916369 /nfs/dbraw/zinc/91/63/69/565916369.db2.gz KBPLXOADHLIVIC-QZTJIDSGSA-N 1 0 395.341 2.829 20 0 GFADRO C[N@@H+]1CCCN(CCCNC(=O)c2cc3cc(Br)ccc3o2)CC1 ZINC000603899521 565918334 /nfs/dbraw/zinc/91/83/34/565918334.db2.gz VBDMCQJFAFZVEL-UHFFFAOYSA-N 1 0 394.313 2.953 20 0 GFADRO [NH3+]C[C@]12CCC[C@H]1CN(Cc1nc(Cc3cccc(Br)c3)no1)C2 ZINC000652351868 565923012 /nfs/dbraw/zinc/92/30/12/565923012.db2.gz AWNKBXWZSRBQQU-KSSFIOAISA-N 1 0 391.313 2.984 20 0 GFADRO CC[N@@H+](CC(=O)N(C)Cc1cc(Br)cs1)C[C@@H]1CCOC1 ZINC000604052229 565923156 /nfs/dbraw/zinc/92/31/56/565923156.db2.gz HPQAAFZBIXYBSQ-LBPRGKRZSA-N 1 0 375.332 2.827 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)N[C@H]1CCOc2ccc(Br)cc21 ZINC000604179368 565924054 /nfs/dbraw/zinc/92/40/54/565924054.db2.gz JQBAEAMZPJPJAF-DOMZBBRYSA-N 1 0 380.286 2.809 20 0 GFADRO Cc1cc(Br)sc1S(=O)(=O)N1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000652372391 565924415 /nfs/dbraw/zinc/92/44/15/565924415.db2.gz IZVDKCIJVCQUNI-LLVKDONJSA-N 1 0 393.372 2.972 20 0 GFADRO CCO[C@@H]1CN(Cc2ccnc(-c3ccc(Br)cc3)n2)C[C@H]1C[NH3+] ZINC000652356396 565924704 /nfs/dbraw/zinc/92/47/04/565924704.db2.gz HAAAGNSJZYGTLR-RHSMWYFYSA-N 1 0 391.313 2.702 20 0 GFADRO C[C@@H]1CCCN(S(=O)(=O)N(C)Cc2c(F)cccc2Cl)[C@@H]1CC[NH3+] ZINC000652377294 565925511 /nfs/dbraw/zinc/92/55/11/565925511.db2.gz DKYGHBGVBNLAHR-MLGOLLRUSA-N 1 0 377.913 2.605 20 0 GFADRO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCN(S(=O)(=O)c3c(Cl)ccc(F)c3F)C2)C1 ZINC000652374220 565925665 /nfs/dbraw/zinc/92/56/65/565925665.db2.gz MBSQBJOXXVOYSU-MISXGVKJSA-N 1 0 394.871 2.525 20 0 GFADRO C[N@@H+]1CCC[C@H](NC(=O)c2ccc(Cl)c(I)c2)C1 ZINC000604199686 565925976 /nfs/dbraw/zinc/92/59/76/565925976.db2.gz TVRSKLVRKOUFHJ-JTQLQIEISA-N 1 0 378.641 2.769 20 0 GFADRO [NH3+]Cc1ccc(CNS(=O)(=O)c2ccc(CC(F)(F)F)cc2)c(F)c1 ZINC000652381353 565926573 /nfs/dbraw/zinc/92/65/73/565926573.db2.gz YOYMIXSMKJXXLL-UHFFFAOYSA-N 1 0 376.375 2.868 20 0 GFADRO C[C@H]1CCCN(S(=O)(=O)c2cccc(Br)c2F)[C@@H]1CC[NH3+] ZINC000652378068 565926734 /nfs/dbraw/zinc/92/67/34/565926734.db2.gz XXHCMQNSEUIJJK-CMPLNLGQSA-N 1 0 379.295 2.726 20 0 GFADRO C[NH2+]Cc1ccccc1CNS(=O)(=O)c1cc(OC)ccc1Br ZINC000652381836 565927595 /nfs/dbraw/zinc/92/75/95/565927595.db2.gz UVIBUGPCVPTYBX-UHFFFAOYSA-N 1 0 399.310 2.656 20 0 GFADRO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCCN2S(=O)(=O)c2cccc(Cl)c2F)C1 ZINC000652384750 565927684 /nfs/dbraw/zinc/92/76/84/565927684.db2.gz MEWWPCNVEQPSPB-KWCYVHTRSA-N 1 0 376.881 2.529 20 0 GFADRO COCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2[C@@H]3Cc4cc(Br)ccc4[C@@H]32)C1 ZINC000630944246 565927955 /nfs/dbraw/zinc/92/79/55/565927955.db2.gz VDPQYOMQOMCBHK-XOYOTBSWSA-N 1 0 393.325 2.562 20 0 GFADRO C[N@@H+]1CCC[C@H](N2CCN(Cc3cn4cc(Cl)cc(Cl)c4n3)CC2)C1 ZINC000604390328 565928300 /nfs/dbraw/zinc/92/83/00/565928300.db2.gz VYRKNUMQWKZWDO-INIZCTEOSA-N 1 0 382.339 2.853 20 0 GFADRO O=S(=O)(c1ccc(C(F)(F)C(F)(F)F)cc1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000630950102 565929501 /nfs/dbraw/zinc/92/95/01/565929501.db2.gz HMASETPEBSYKNE-CYBMUJFWSA-N 1 0 384.370 2.715 20 0 GFADRO O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)c1c[nH]c2ccc(Br)cc21 ZINC000676345994 565932815 /nfs/dbraw/zinc/93/28/15/565932815.db2.gz ZQXKBTSEIJKLMK-CQSZACIVSA-N 1 0 392.297 2.914 20 0 GFADRO O=S(=O)(CCC[NH2+]Cc1ccncc1Br)Cc1ccccc1 ZINC000631046558 565934534 /nfs/dbraw/zinc/93/45/34/565934534.db2.gz GSYHDHYGLZKTLJ-UHFFFAOYSA-N 1 0 383.311 2.939 20 0 GFADRO Cc1ncc(Br)cc1NC(=O)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652608595 565936112 /nfs/dbraw/zinc/93/61/12/565936112.db2.gz XLPSZSJJPNUUCE-JGGQBBKZSA-N 1 0 397.317 2.903 20 0 GFADRO CC[C@@H](C[NH+]1CCCC1)NS(=O)(=O)c1cccc(C)c1Br ZINC000676416672 565936562 /nfs/dbraw/zinc/93/65/62/565936562.db2.gz XQIBWJQFKQFQFE-ZDUSSCGKSA-N 1 0 375.332 2.910 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)NCCC2CC[NH2+]CC2)cc1Br ZINC000652643133 565937422 /nfs/dbraw/zinc/93/74/22/565937422.db2.gz ZRXZEPQKEHZINA-UHFFFAOYSA-N 1 0 382.302 2.510 20 0 GFADRO OC[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCc1ccncc1Br ZINC000631079116 565938376 /nfs/dbraw/zinc/93/83/76/565938376.db2.gz YVQSAWTYJQVGNP-IEBWSBKVSA-N 1 0 390.325 2.817 20 0 GFADRO O[C@@]1(CNCc2ccncc2Br)CC[N@H+](Cc2ccccc2)C1 ZINC000631077073 565938827 /nfs/dbraw/zinc/93/88/27/565938827.db2.gz CHUPUJVYTXPGFU-GOSISDBHSA-N 1 0 376.298 2.571 20 0 GFADRO C[C@@H](C[NH2+]Cc1cn(C[C@H]2CCOC2)nn1)Oc1cccc(Br)c1 ZINC000631082236 565939630 /nfs/dbraw/zinc/93/96/30/565939630.db2.gz BSHLYGPXFUJPLL-UONOGXRCSA-N 1 0 395.301 2.634 20 0 GFADRO Clc1ccc2sc(CC[NH2+]Cc3cn(C[C@@H]4CCOC4)nn3)nc2c1 ZINC000631088636 565939788 /nfs/dbraw/zinc/93/97/88/565939788.db2.gz ORQAUQWCGBJMBG-LBPRGKRZSA-N 1 0 377.901 2.910 20 0 GFADRO C[C@@H](O)C[C@@H](C[NH2+]Cc1ccc(Cl)c(S(N)(=O)=O)c1)c1ccccc1 ZINC000631092176 565940356 /nfs/dbraw/zinc/94/03/56/565940356.db2.gz YVSDJYKAUPDHLF-CJNGLKHVSA-N 1 0 382.913 2.632 20 0 GFADRO CO[C@H](c1ccccc1F)[C@H](C)[NH2+]Cc1ccc(Cl)c(S(N)(=O)=O)c1 ZINC000631107443 565941502 /nfs/dbraw/zinc/94/15/02/565941502.db2.gz ADZFAYGVSFUHEE-GTNSWQLSSA-N 1 0 386.876 2.992 20 0 GFADRO CCS(=O)(=O)N1CCC(C[NH2+]Cc2ccc(CC(F)(F)F)cc2)CC1 ZINC000631111672 565941603 /nfs/dbraw/zinc/94/16/03/565941603.db2.gz QRZFORCRQRDHAB-UHFFFAOYSA-N 1 0 378.460 2.943 20 0 GFADRO COc1cc(C[NH2+]CCCCCS(C)(=O)=O)c(F)cc1Br ZINC000631115578 565943351 /nfs/dbraw/zinc/94/33/51/565943351.db2.gz WEWSSRPCTCDKLO-UHFFFAOYSA-N 1 0 382.295 2.901 20 0 GFADRO COc1cc(F)cc(OC)c1C[NH2+]CCn1cc(Br)ccc1=O ZINC000631148743 565944570 /nfs/dbraw/zinc/94/45/70/565944570.db2.gz ZKVXQCWKUXNGOG-UHFFFAOYSA-N 1 0 385.233 2.557 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2Cc1cn2cc(Br)ccc2n1 ZINC000676716808 565946310 /nfs/dbraw/zinc/94/63/10/565946310.db2.gz YTGXEQLLMIXDBJ-ZACQAIPSSA-N 1 0 393.329 2.780 20 0 GFADRO C[C@@H]1[C@H](C)SCC[N@@H+]1CC(=O)N1CCN(Cc2cccc(Cl)c2)CC1 ZINC000605335715 565949925 /nfs/dbraw/zinc/94/99/25/565949925.db2.gz QQEDUQKCFZPUPE-CVEARBPZSA-N 1 0 381.973 2.810 20 0 GFADRO Cc1c(Br)csc1C(=O)NC[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000631270078 565950709 /nfs/dbraw/zinc/95/07/09/565950709.db2.gz OJIFCHIIDXXZMC-AWEZNQCLSA-N 1 0 388.375 2.821 20 0 GFADRO NS(=O)(=O)c1ccccc1NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000631252931 565951485 /nfs/dbraw/zinc/95/14/85/565951485.db2.gz BMKVHBKWZVCAQU-UHFFFAOYSA-N 1 0 377.432 2.551 20 0 GFADRO O=C(NCCC[NH+]1CCCC1)C1CCN(C(=O)c2cscc2Cl)CC1 ZINC000631280222 565951835 /nfs/dbraw/zinc/95/18/35/565951835.db2.gz JJFMPPYCNAABIM-UHFFFAOYSA-N 1 0 383.945 2.856 20 0 GFADRO [NH3+]CCCOC1CCN(C(=O)[C@H]2CCOc3ccc(Br)cc32)CC1 ZINC000653055021 565952893 /nfs/dbraw/zinc/95/28/93/565952893.db2.gz IQMNHAHWQAVZKW-HNNXBMFYSA-N 1 0 397.313 2.672 20 0 GFADRO O=C(Nc1ccc(Sc2nncs2)c(Cl)c1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653086613 565953879 /nfs/dbraw/zinc/95/38/79/565953879.db2.gz XKGJITDXFFLESX-VFZGTOFNSA-N 1 0 382.898 2.517 20 0 GFADRO C[NH+](C)C[C@]1(O)CCCN(c2ncc(Br)cc2C(F)(F)F)C1 ZINC000631344144 565954960 /nfs/dbraw/zinc/95/49/60/565954960.db2.gz KYPHKFGUBJJKKG-CYBMUJFWSA-N 1 0 382.224 2.756 20 0 GFADRO C[C@@]1(c2cccc(Br)c2)C[C@H]1C(=O)NCCC[NH+]1CCC(O)CC1 ZINC000631372920 565955966 /nfs/dbraw/zinc/95/59/66/565955966.db2.gz RVTUHXWSQBDNJZ-HKUYNNGSSA-N 1 0 395.341 2.690 20 0 GFADRO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCN(C(=O)COc3ccccc3Br)C2)C1 ZINC000653185291 565957496 /nfs/dbraw/zinc/95/74/96/565957496.db2.gz ZCKXBWGFRWANLQ-CKEIUWERSA-N 1 0 397.313 2.573 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(C(=O)Cc3ccc(Br)c(F)c3)C2)C1 ZINC000653182035 565957703 /nfs/dbraw/zinc/95/77/03/565957703.db2.gz MWLMBMMPSLZOAL-VBQJREDUSA-N 1 0 399.304 2.876 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(C(=O)c3ccc(F)c(Br)c3)C2)C1 ZINC000653187611 565958400 /nfs/dbraw/zinc/95/84/00/565958400.db2.gz AIEKCWCICKOGCZ-IOASZLSFSA-N 1 0 385.277 2.947 20 0 GFADRO COCC[N@@H+]1CC[C@H](NC(=O)NCC(C)(C)c2cccc(Br)c2)C1 ZINC000605882380 565958441 /nfs/dbraw/zinc/95/84/41/565958441.db2.gz OEABFXOTCBIXJT-INIZCTEOSA-N 1 0 398.345 2.747 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(C(=O)c3cc(F)cc(Br)c3)C2)C1 ZINC000653187750 565958597 /nfs/dbraw/zinc/95/85/97/565958597.db2.gz BGVBRIIKTDMAEW-XZJROXQQSA-N 1 0 385.277 2.947 20 0 GFADRO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCN(C(=O)c3c(F)cccc3Br)C2)C1 ZINC000653189480 565958664 /nfs/dbraw/zinc/95/86/64/565958664.db2.gz YFAVLUNUUOGRJQ-LALPHHSUSA-N 1 0 385.277 2.947 20 0 GFADRO C[C@H]1C[C@H](N(C)C(=O)c2ccc3cncc(Br)c3n2)CC[N@@H+]1C ZINC000631469866 565959374 /nfs/dbraw/zinc/95/93/74/565959374.db2.gz UGFDOLPJNWTZAT-WCQYABFASA-N 1 0 377.286 2.947 20 0 GFADRO [NH3+]CCC1CCN(C(=O)c2ncc(Br)cc2Br)CC1 ZINC000653256480 565960415 /nfs/dbraw/zinc/96/04/15/565960415.db2.gz YLSMHDCIDKAWCG-UHFFFAOYSA-N 1 0 391.107 2.808 20 0 GFADRO CC[N@@H+]1CCN([C@H](C)C(=O)N(C)Cc2ccc(Br)cc2)C[C@@H]1C ZINC000677194808 565964134 /nfs/dbraw/zinc/96/41/34/565964134.db2.gz KEUIDNZRCASZIL-LSDHHAIUSA-N 1 0 382.346 2.822 20 0 GFADRO CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+][C@H](C)[C@H](O)C(F)(F)F)cc1 ZINC000631717407 565970091 /nfs/dbraw/zinc/97/00/91/565970091.db2.gz JNMGUIXDPLSEEO-ZOWXZIJZSA-N 1 0 382.448 2.679 20 0 GFADRO O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000653685154 565978279 /nfs/dbraw/zinc/97/82/79/565978279.db2.gz CZRBDDSQROSDEE-OKZBNKHCSA-N 1 0 393.325 2.922 20 0 GFADRO C[N@@H+]1CC[C@H](NC(=O)CCn2cc(Br)cn2)[C@@H]1c1ccccc1 ZINC000677618820 565979126 /nfs/dbraw/zinc/97/91/26/565979126.db2.gz VHFCIIIULYCNSE-RDJZCZTQSA-N 1 0 377.286 2.597 20 0 GFADRO C[N@@H+]1CC[C@@H](NC(=O)CCn2cc(Br)cn2)[C@@H]1c1ccccc1 ZINC000677618821 565979785 /nfs/dbraw/zinc/97/97/85/565979785.db2.gz VHFCIIIULYCNSE-WBVHZDCISA-N 1 0 377.286 2.597 20 0 GFADRO CCC[NH+](CCC)CCCNS(=O)(=O)Cc1ncsc1Br ZINC000631896333 565981541 /nfs/dbraw/zinc/98/15/41/565981541.db2.gz VQSPMPUAMJTNTD-UHFFFAOYSA-N 1 0 398.392 2.837 20 0 GFADRO C[NH+]1CCC(O)(CNC(=O)Nc2ccccc2SCC(F)(F)F)CC1 ZINC000607196783 565981982 /nfs/dbraw/zinc/98/19/82/565981982.db2.gz AOIHTYRRLKVRDF-UHFFFAOYSA-N 1 0 377.432 2.919 20 0 GFADRO Cc1ccc(Br)c(NC(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)c1 ZINC000677777344 565982810 /nfs/dbraw/zinc/98/28/10/565982810.db2.gz CPGFRZKIRKPNLQ-AWEZNQCLSA-N 1 0 394.313 2.783 20 0 GFADRO CN(C1CC[NH2+]CC1)S(=O)(=O)NCC1(c2ccc(Cl)cc2)CCCC1 ZINC000631915473 565983672 /nfs/dbraw/zinc/98/36/72/565983672.db2.gz KOUSKLTTYIDURE-UHFFFAOYSA-N 1 0 385.961 2.670 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000677869271 565985532 /nfs/dbraw/zinc/98/55/32/565985532.db2.gz WAYKHVAMHLLJSF-CQSZACIVSA-N 1 0 377.286 2.767 20 0 GFADRO COCc1cc(Cl)cc(S(=O)(=O)N2CCOc3ccc(C[NH3+])cc32)c1 ZINC000631959387 565986760 /nfs/dbraw/zinc/98/67/60/565986760.db2.gz SEZRKVJAQKGQGE-UHFFFAOYSA-N 1 0 382.869 2.533 20 0 GFADRO O=C(Nc1cc(-c2cc(Cl)cc(Cl)c2)[nH]n1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000677878409 565987311 /nfs/dbraw/zinc/98/73/11/565987311.db2.gz GKANCKQGKIIJFB-OAHLLOKOSA-N 1 0 380.279 2.712 20 0 GFADRO COc1ccc(Br)c(S(=O)(=O)N[C@@H]2CC[NH2+]CC(C)(C)C2)c1 ZINC000631979505 565987408 /nfs/dbraw/zinc/98/74/08/565987408.db2.gz UEUBJBHVSMSKEX-LLVKDONJSA-N 1 0 391.331 2.514 20 0 GFADRO C[C@H]1C[C@@H](NC(=O)CCNC(=O)Nc2ccc(Br)cc2)CC[N@@H+]1C ZINC000607690173 565987527 /nfs/dbraw/zinc/98/75/27/565987527.db2.gz DYUYJXZVUWIVQK-WFASDCNBSA-N 1 0 397.317 2.560 20 0 GFADRO C[C@H]1C[C@H]([NH3+])CN1S(=O)(=O)c1ccc(Br)cc1C(F)(F)F ZINC000631973919 565988208 /nfs/dbraw/zinc/98/82/08/565988208.db2.gz NKLBQEMANNXRFT-CBAPKCEASA-N 1 0 387.221 2.578 20 0 GFADRO COCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C)Cc2ccc(Br)cc2)C1 ZINC000677964866 565990938 /nfs/dbraw/zinc/99/09/38/565990938.db2.gz IXZXDPNQAWSOTG-WMLDXEAASA-N 1 0 383.330 2.855 20 0 GFADRO C[C@@H](Cc1ccc(Br)cc1)C(=O)NCCCN1CCC[N@H+](C)CC1 ZINC000677966203 565991102 /nfs/dbraw/zinc/99/11/02/565991102.db2.gz JBTAPLQSQKTWSZ-INIZCTEOSA-N 1 0 396.373 2.772 20 0 GFADRO C[C@@H](Oc1cccc(Br)c1)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000607883750 565991516 /nfs/dbraw/zinc/99/15/16/565991516.db2.gz QXKVAOPETBAFQN-CQSZACIVSA-N 1 0 390.281 2.960 20 0 GFADRO COc1cc(Br)cc(NC(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c1 ZINC000678016859 565993147 /nfs/dbraw/zinc/99/31/47/565993147.db2.gz XWMMEDNQDYWMKB-HZPDHXFCSA-N 1 0 398.301 2.521 20 0 GFADRO Cc1ccsc1S(=O)(=O)N(C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000608022649 565997486 /nfs/dbraw/zinc/99/74/86/565997486.db2.gz LTRZOSAXVDDZPB-UHFFFAOYSA-N 1 0 379.551 2.779 20 0 GFADRO C[C@H](NC(=O)N[C@H](CO)c1ccc(Br)cc1)C1CC[NH+](C)CC1 ZINC000678112729 565999632 /nfs/dbraw/zinc/99/96/32/565999632.db2.gz DDERAJVJVSRHJP-BLLLJJGKSA-N 1 0 384.318 2.512 20 0 GFADRO Brc1ccc2ncc(CN3CCC[N@H+](C[C@@H]4CCCO4)CC3)n2c1 ZINC000678135696 566001370 /nfs/dbraw/zinc/00/13/70/566001370.db2.gz PXUYBVMHTYIBIA-KRWDZBQOSA-N 1 0 393.329 2.784 20 0 GFADRO O=S1(=O)CCC(CC[NH2+]Cc2cnn(Cc3ccccc3Cl)c2)CC1 ZINC000678156445 566001677 /nfs/dbraw/zinc/00/16/77/566001677.db2.gz DCNFGFFNPLVZDW-UHFFFAOYSA-N 1 0 381.929 2.889 20 0 GFADRO C[NH+](C)CCCS(=O)(=O)N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000632126671 566001864 /nfs/dbraw/zinc/00/18/64/566001864.db2.gz YTDSRXOOVAYIBF-LLVKDONJSA-N 1 0 385.477 2.623 20 0 GFADRO Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000654314857 566005108 /nfs/dbraw/zinc/00/51/08/566005108.db2.gz LPRFTUUCYVXAHR-VXGBXAGGSA-N 1 0 378.826 2.997 20 0 GFADRO C[C@H](CNC(=O)N1CCOc2cccc(Br)c2C1)[N@H+](C)C1CC1 ZINC000654429600 566010351 /nfs/dbraw/zinc/01/03/51/566010351.db2.gz RCXSABLWZQWGOC-GFCCVEGCSA-N 1 0 382.302 2.836 20 0 GFADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)Nc1c(F)cc(Br)cc1F ZINC000608331669 566011452 /nfs/dbraw/zinc/01/14/52/566011452.db2.gz OJSNOPCGSBBODJ-LLVKDONJSA-N 1 0 392.244 2.960 20 0 GFADRO Brc1ccccc1-n1cc(CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)nn1 ZINC000678580790 566013061 /nfs/dbraw/zinc/01/30/61/566013061.db2.gz MUXCYAJGMWITTA-DZGCQCFKSA-N 1 0 376.302 2.746 20 0 GFADRO Brc1ccccc1-n1cc(CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)nn1 ZINC000678580791 566013276 /nfs/dbraw/zinc/01/32/76/566013276.db2.gz MUXCYAJGMWITTA-HIFRSBDPSA-N 1 0 376.302 2.746 20 0 GFADRO C[C@@H]([NH2+][C@@H](CO)c1cccc(Br)c1)c1cccc(-n2cnnn2)c1 ZINC000678598355 566013713 /nfs/dbraw/zinc/01/37/13/566013713.db2.gz GFDOMRQQCVNILA-PXAZEXFGSA-N 1 0 388.269 2.809 20 0 GFADRO C[C@H](Cc1ccc(Br)c(F)c1)[NH2+][C@H]1CCN(C2CCOCC2)C1=O ZINC000678595312 566013819 /nfs/dbraw/zinc/01/38/19/566013819.db2.gz WLQACHSVNXMQDF-PXAZEXFGSA-N 1 0 399.304 2.889 20 0 GFADRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)N2CCc3c(Br)ccc(F)c3C2)C1 ZINC000654662289 566018872 /nfs/dbraw/zinc/01/88/72/566018872.db2.gz JJUZKQLKWYHEEM-TXEJJXNPSA-N 1 0 384.293 2.996 20 0 GFADRO CC(C)C([NH2+]CC(=O)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1)C(C)C ZINC000678899773 566024527 /nfs/dbraw/zinc/02/45/27/566024527.db2.gz AXMRPIPWPZOWCV-OAHLLOKOSA-N 1 0 386.583 2.534 20 0 GFADRO CCO[C@@H](CC[NH+](C)C)CNC(=O)[C@@H](OC)c1ccccc1Br ZINC000654878430 566027423 /nfs/dbraw/zinc/02/74/23/566027423.db2.gz RMZKIOKVKBDTND-BBRMVZONSA-N 1 0 387.318 2.610 20 0 GFADRO CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cc(Br)c(F)cc1F ZINC000632408229 566029397 /nfs/dbraw/zinc/02/93/97/566029397.db2.gz YGDBRTNFAYCMDL-UHFFFAOYSA-N 1 0 397.285 2.832 20 0 GFADRO C[C@@H]1C[C@H]([NH2+][C@H]2CCc3cc(Br)ccc32)C(=O)N1c1cnn(C)c1 ZINC000679067287 566029434 /nfs/dbraw/zinc/02/94/34/566029434.db2.gz RHVCJBXAKFELNN-NVGVWMPQSA-N 1 0 389.297 2.954 20 0 GFADRO CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1sc(Br)cc1C ZINC000632408925 566029901 /nfs/dbraw/zinc/02/99/01/566029901.db2.gz ZVEXDNZEIPSMDF-UHFFFAOYSA-N 1 0 381.361 2.924 20 0 GFADRO Cc1ccc(Br)c(NC(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)c1 ZINC000654948661 566031938 /nfs/dbraw/zinc/03/19/38/566031938.db2.gz FHJTZNGOHZOJAI-GDBMZVCRSA-N 1 0 394.313 2.829 20 0 GFADRO C[C@@H](CC(=O)N1CC[NH+](C(C)(C)CO)CC1)c1ccc(Br)cc1 ZINC000679318433 566036436 /nfs/dbraw/zinc/03/64/36/566036436.db2.gz VMBCVXHCFMVHEL-AWEZNQCLSA-N 1 0 383.330 2.858 20 0 GFADRO NC(=O)C1(C[NH2+][C@H](c2ccc(Br)cc2)[C@@H]2CCCO2)CCOCC1 ZINC000679332626 566037639 /nfs/dbraw/zinc/03/76/39/566037639.db2.gz XXQFOQATZYLKSO-JKSUJKDBSA-N 1 0 397.313 2.541 20 0 GFADRO CC[NH+](CC)CC[C@H](CO)NC(=O)Cc1ccc(Br)c(Cl)c1 ZINC000655048640 566037599 /nfs/dbraw/zinc/03/75/99/566037599.db2.gz SXGTWDPUFYTSHM-CYBMUJFWSA-N 1 0 391.737 2.854 20 0 GFADRO O=C(N[C@H]1CC[N@H+](CC2CC2)C1)c1ccc(F)cc1I ZINC000609383506 566038202 /nfs/dbraw/zinc/03/82/02/566038202.db2.gz QYYNDERWYQBICY-LBPRGKRZSA-N 1 0 388.224 2.644 20 0 GFADRO O[C@H](CN[C@H](c1ccc(Br)cc1)[C@@H]1CCCO1)C[NH+]1CCCC1 ZINC000679338931 566038305 /nfs/dbraw/zinc/03/83/05/566038305.db2.gz KJGLPMKTLMCOPY-FGTMMUONSA-N 1 0 383.330 2.716 20 0 GFADRO CN1CCN(C)[C@H](C[NH2+][C@H](c2ccc(Br)cc2)[C@@H]2CCCO2)C1 ZINC000679341642 566038480 /nfs/dbraw/zinc/03/84/80/566038480.db2.gz URYXAOCOPPEEBV-FGTMMUONSA-N 1 0 382.346 2.505 20 0 GFADRO NC(=O)c1ccc(C[NH2+][C@H](c2ccc(Br)cc2)[C@H]2CCCO2)cn1 ZINC000679347735 566039443 /nfs/dbraw/zinc/03/94/43/566039443.db2.gz PZCUBUHAUZRFCO-IAGOWNOFSA-N 1 0 390.281 2.953 20 0 GFADRO CN(CCC(=O)N[C@@H](CO)c1ccc(Br)cc1)c1cc[nH+]cc1 ZINC000679411511 566041110 /nfs/dbraw/zinc/04/11/10/566041110.db2.gz DSWRZSPZRULYCM-INIZCTEOSA-N 1 0 378.270 2.520 20 0 GFADRO CN(C(=O)c1cc(F)ccc1I)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000609508947 566042064 /nfs/dbraw/zinc/04/20/64/566042064.db2.gz APKXWHPTNRELDC-LBPRGKRZSA-N 1 0 388.224 2.739 20 0 GFADRO CN(C(=O)c1cc(F)ccc1I)[C@H]1C[NH+]2CCC1CC2 ZINC000609532518 566042589 /nfs/dbraw/zinc/04/25/89/566042589.db2.gz FTYFZWBZINRAMR-AWEZNQCLSA-N 1 0 388.224 2.597 20 0 GFADRO C[C@H](NC(=O)N[C@H](CCO)c1ccccc1Br)C1CC[NH+](C)CC1 ZINC000679781301 566052259 /nfs/dbraw/zinc/05/22/59/566052259.db2.gz QSFBWUCVWLAYSX-SUMWQHHRSA-N 1 0 398.345 2.902 20 0 GFADRO O=C(C[C@@H]1CCC[NH2+]C1)N1CCN(C(=O)c2cc3sccc3s2)CC1 ZINC000655441228 566057722 /nfs/dbraw/zinc/05/77/22/566057722.db2.gz DRWQPOPEBDMPDL-ZDUSSCGKSA-N 1 0 377.535 2.637 20 0 GFADRO O=c1cc(C[NH+]2CCC([C@@H]3CCOC3)CC2)nc2ccc(Br)cn12 ZINC000680090259 566060746 /nfs/dbraw/zinc/06/07/46/566060746.db2.gz MONTYFZOPYWLCC-CQSZACIVSA-N 1 0 392.297 2.706 20 0 GFADRO O[C@H](COc1ccc(Br)cc1)C[NH+]1CCC([C@@H]2CCOC2)CC1 ZINC000680088246 566061002 /nfs/dbraw/zinc/06/10/02/566061002.db2.gz UAVRJGNIRYGKGY-WBVHZDCISA-N 1 0 384.314 2.937 20 0 GFADRO [NH3+]C[C@H](NC(=O)CCCc1nc(-c2ccc(Cl)cc2)no1)C(F)(F)F ZINC000655510980 566062241 /nfs/dbraw/zinc/06/22/41/566062241.db2.gz XBUMZVDVPHSVDV-NSHDSACASA-N 1 0 376.766 2.719 20 0 GFADRO Cc1c(Br)cccc1CS(=O)(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000655524307 566064168 /nfs/dbraw/zinc/06/41/68/566064168.db2.gz YVJNHHIIMXGOHZ-FZMZJTMJSA-N 1 0 375.332 2.660 20 0 GFADRO Cc1c(Br)cccc1CS(=O)(=O)N(C)[C@H]1CCC[N@H+](C)C1 ZINC000655522894 566064231 /nfs/dbraw/zinc/06/42/31/566064231.db2.gz BJROYNMAIRKEFO-AWEZNQCLSA-N 1 0 375.332 2.613 20 0 GFADRO C[C@H](Oc1ccc(F)cc1Br)C(=O)N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000632860377 566071282 /nfs/dbraw/zinc/07/12/82/566071282.db2.gz GHDCFTWMPJFREX-HUBLWGQQSA-N 1 0 385.277 2.956 20 0 GFADRO C[NH+](C)[C@H]1C[C@@H](CNS(=O)(=O)Cc2ccc(Br)cc2Cl)C1 ZINC000655631958 566074021 /nfs/dbraw/zinc/07/40/21/566074021.db2.gz CGGOCMOOIDHUOQ-GSJFWJNXSA-N 1 0 395.750 2.862 20 0 GFADRO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)Nc1ccc(CCn2cc(Br)cn2)cc1 ZINC000632915269 566074302 /nfs/dbraw/zinc/07/43/02/566074302.db2.gz IBLQOUXQPZASFF-IUODEOHRSA-N 1 0 392.301 2.842 20 0 GFADRO C[NH+](C)[C@H]1C[C@@H](CNS(=O)(=O)c2c(Cl)cccc2Br)C1 ZINC000655631997 566074468 /nfs/dbraw/zinc/07/44/68/566074468.db2.gz AFTGQIPJYQOBBP-AOOOYVTPSA-N 1 0 381.723 2.721 20 0 GFADRO Cc1cc(Br)c(NC(=O)N2CCC([NH2+]CCO)CC2)cc1Cl ZINC000632934087 566075626 /nfs/dbraw/zinc/07/56/26/566075626.db2.gz HQHKBJHDSNYVQE-UHFFFAOYSA-N 1 0 390.709 2.989 20 0 GFADRO CC(C)Oc1cc(NC(=O)N2CCO[C@H]([C@H](C)[NH3+])C2)ccc1Br ZINC000632960674 566077312 /nfs/dbraw/zinc/07/73/12/566077312.db2.gz ITOCXHQCSQEIPT-NHYWBVRUSA-N 1 0 386.290 2.816 20 0 GFADRO CC(C)Oc1cc(NC(=O)C(=O)NCC2([NH3+])CCCC2)ccc1Br ZINC000633008796 566079820 /nfs/dbraw/zinc/07/98/20/566079820.db2.gz NLXZYSCDYSJWAJ-UHFFFAOYSA-N 1 0 398.301 2.563 20 0 GFADRO O=S(=O)(Cc1cccc(Br)c1)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000655669099 566080288 /nfs/dbraw/zinc/08/02/88/566080288.db2.gz XCGNFTQRNWHOSW-CVEARBPZSA-N 1 0 387.343 2.885 20 0 GFADRO O=S(=O)(Cc1ccc(Br)cc1)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000655670424 566081404 /nfs/dbraw/zinc/08/14/04/566081404.db2.gz ZTSCUFSEVOEIOM-HZPDHXFCSA-N 1 0 387.343 2.885 20 0 GFADRO Cc1ccc(NC(=O)C(=O)N[C@H]2CC[NH2+]CC(C)(C)C2)cc1Br ZINC000633047385 566081942 /nfs/dbraw/zinc/08/19/42/566081942.db2.gz NLWKRFRGDYLTRL-ZDUSSCGKSA-N 1 0 382.302 2.590 20 0 GFADRO Cc1nn(-c2ccccc2Br)cc1C[NH2+]CCNC(=O)C(C)C ZINC000655712362 566083748 /nfs/dbraw/zinc/08/37/48/566083748.db2.gz JDSRFWPAJVTJSX-UHFFFAOYSA-N 1 0 379.302 2.805 20 0 GFADRO Cc1nccn1CCNC(=O)N[C@@H]1[C@H]2Cc3cc(Br)ccc3[C@@H]12 ZINC000633089288 566083792 /nfs/dbraw/zinc/08/37/92/566083792.db2.gz XRTXPIDJEOOHRK-ARFHVFGLSA-N 1 0 375.270 2.592 20 0 GFADRO Cc1nn(-c2ccccc2Br)cc1C[NH2+]C[C@@H](O)COCC1CC1 ZINC000655723793 566084276 /nfs/dbraw/zinc/08/42/76/566084276.db2.gz PKQHEYOMZJGTHX-MRXNPFEDSA-N 1 0 394.313 2.820 20 0 GFADRO CN1CC[NH+]([C@H]2CC[C@@H](NC(=O)c3ccccc3Br)CC2)CC1 ZINC000680840596 566084338 /nfs/dbraw/zinc/08/43/38/566084338.db2.gz AMUINRVGHWVGFI-GASCZTMLSA-N 1 0 380.330 2.738 20 0 GFADRO COCCN1CC[C@@H]([NH2+]Cc2cn(-c3ccccc3Br)nc2C)C1 ZINC000655732672 566086117 /nfs/dbraw/zinc/08/61/17/566086117.db2.gz DUUUDLLGUVCAKE-MRXNPFEDSA-N 1 0 393.329 2.754 20 0 GFADRO NC(=O)C[C@@H]([NH2+]Cc1oc2ccccc2c1Br)C1CCOCC1 ZINC000655754431 566086768 /nfs/dbraw/zinc/08/67/68/566086768.db2.gz QFMMUUCHVZSALU-CYBMUJFWSA-N 1 0 381.270 2.956 20 0 GFADRO C[C@@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)Cc1cc2c(c(Cl)c1)OCO2 ZINC000680869069 566086976 /nfs/dbraw/zinc/08/69/76/566086976.db2.gz DYOBNYNAGXXUHP-NSHDSACASA-N 1 0 382.869 2.909 20 0 GFADRO COc1ccc(Br)cc1C[C@H](CO)C[NH2+][C@H]1CCCn2ccnc21 ZINC000655773691 566088440 /nfs/dbraw/zinc/08/84/40/566088440.db2.gz CSSDIHBVKYAXQN-BBRMVZONSA-N 1 0 394.313 2.930 20 0 GFADRO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+][C@@H]1CCc2ccccc2NC1=O ZINC000655791604 566090155 /nfs/dbraw/zinc/09/01/55/566090155.db2.gz PMFIVUCLGYXSSY-BLLLJJGKSA-N 1 0 390.281 2.542 20 0 GFADRO C[C@H](c1ccccc1)[C@@H](CO)[NH2+]C[C@@H](O)COc1ccc(Br)cc1 ZINC000680989610 566090605 /nfs/dbraw/zinc/09/06/05/566090605.db2.gz DQDXUTBTDKPEKL-LSBZLQRGSA-N 1 0 394.309 2.943 20 0 GFADRO Cc1cccc(NC(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c1Br ZINC000681100473 566094113 /nfs/dbraw/zinc/09/41/13/566094113.db2.gz JZPUUWAKFWNLDZ-CABCVRRESA-N 1 0 382.302 2.820 20 0 GFADRO O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1nc(C2CC2)ncc1Br ZINC000655913918 566094827 /nfs/dbraw/zinc/09/48/27/566094827.db2.gz CUFJUMYDTUPELH-KGLIPLIRSA-N 1 0 379.302 2.863 20 0 GFADRO [NH3+]C[C@@H](NC(=O)N[C@@H]1CSc2ccc(Br)cc21)C(F)(F)F ZINC000655930046 566096459 /nfs/dbraw/zinc/09/64/59/566096459.db2.gz YTFBHIPDXMUMJV-PSASIEDQSA-N 1 0 384.221 2.785 20 0 GFADRO COc1cc(Br)ccc1CCCNC(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000655925053 566096722 /nfs/dbraw/zinc/09/67/22/566096722.db2.gz VQOHIHPUIVNLSL-GFCCVEGCSA-N 1 0 398.223 2.579 20 0 GFADRO [NH3+]C[C@@H](NC(=O)N[C@H]1CSc2ccc(Br)cc21)C(F)(F)F ZINC000655930048 566097147 /nfs/dbraw/zinc/09/71/47/566097147.db2.gz YTFBHIPDXMUMJV-WCBMZHEXSA-N 1 0 384.221 2.785 20 0 GFADRO CC[C@H]1CN(S(=O)(=O)Cc2cccc(Br)c2C)CC[C@H]1[NH3+] ZINC000655949747 566097518 /nfs/dbraw/zinc/09/75/18/566097518.db2.gz ATKPORUVAKXNHB-SWLSCSKDSA-N 1 0 375.332 2.647 20 0 GFADRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)N[C@@H]2[C@H]3Cc4cc(Br)ccc4[C@@H]23)C1 ZINC000633338930 566098035 /nfs/dbraw/zinc/09/80/35/566098035.db2.gz XZZRRXNTOLXJIB-VFPYKDBSSA-N 1 0 378.314 2.727 20 0 GFADRO O=C(N[C@H]1CC[N@H+](CC2CC2)C1)c1cc(I)ccc1F ZINC000610772460 566098515 /nfs/dbraw/zinc/09/85/15/566098515.db2.gz HCLMYCHVWRZIFI-LBPRGKRZSA-N 1 0 388.224 2.644 20 0 GFADRO CC[C@H](C)Sc1ccc(NC(=O)C(=O)N[C@H](C[NH3+])C(F)(F)F)c(C)c1 ZINC000655958555 566098595 /nfs/dbraw/zinc/09/85/95/566098595.db2.gz MYBQLDOGEITLTD-GXFFZTMASA-N 1 0 377.432 2.830 20 0 GFADRO Brc1ccc2[nH]c(CN3CC[NH+](C[C@@H]4CCCO4)CC3)nc2c1 ZINC000681400452 566105130 /nfs/dbraw/zinc/10/51/30/566105130.db2.gz ADYWJTGQCYXQCZ-AWEZNQCLSA-N 1 0 379.302 2.622 20 0 GFADRO C[NH+](C)Cc1ccc(C(=O)Nc2nnc(C(F)(F)C(F)(F)F)s2)cn1 ZINC000633731365 566117915 /nfs/dbraw/zinc/11/79/15/566117915.db2.gz MKJPGSYURKDGAD-UHFFFAOYSA-N 1 0 381.330 2.901 20 0 GFADRO CS[C@H]1CN(C(=O)C2(c3ccc(Br)cc3)CC2)C[C@H]1[NH+](C)C ZINC000611165470 566118533 /nfs/dbraw/zinc/11/85/33/566118533.db2.gz VSNISTMKMJOIBR-CABCVRRESA-N 1 0 383.355 2.985 20 0 GFADRO COCCN(CC[NH+](C)C)Cc1cn(-c2cccc(Br)c2)nc1C ZINC000656262413 566120245 /nfs/dbraw/zinc/12/02/45/566120245.db2.gz UVLGJBDIWJGVCV-UHFFFAOYSA-N 1 0 395.345 2.953 20 0 GFADRO CNC(=O)[C@@H]1CC[N@H+](Cc2cn(-c3cccc(Br)c3)nc2C)C1 ZINC000656264784 566120985 /nfs/dbraw/zinc/12/09/85/566120985.db2.gz SFYAQDITKRSXKB-CYBMUJFWSA-N 1 0 377.286 2.511 20 0 GFADRO CC[N@H+](C[C@@H](O)COc1ccc(Cl)c(Cl)c1)C[C@@H](O)C(F)(F)F ZINC000681699310 566123390 /nfs/dbraw/zinc/12/33/90/566123390.db2.gz VSSPSULLFDNUDB-NOZJJQNGSA-N 1 0 376.202 2.978 20 0 GFADRO CC[C@H]([NH2+][C@H](CO)c1cnn(C)c1)c1ccc(I)cc1 ZINC000611337259 566126705 /nfs/dbraw/zinc/12/67/05/566126705.db2.gz NBFWKFAAMRCIHP-LSDHHAIUSA-N 1 0 385.249 2.799 20 0 GFADRO CN(CC1([NH+](C)C)CCC1)S(=O)(=O)Cc1ccc(OC(F)(F)F)cc1 ZINC000682084425 566143359 /nfs/dbraw/zinc/14/33/59/566143359.db2.gz ILKLJYAQFHMBEB-UHFFFAOYSA-N 1 0 380.432 2.831 20 0 GFADRO Cc1c(Br)cncc1C(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000611974524 566146646 /nfs/dbraw/zinc/14/66/46/566146646.db2.gz QSXZVBLTNFJEAD-UHFFFAOYSA-N 1 0 384.318 2.725 20 0 GFADRO CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)Nc1cc(Br)ccc1F ZINC000682277148 566149570 /nfs/dbraw/zinc/14/95/70/566149570.db2.gz FEDMYOXAHXFPGS-GFCCVEGCSA-N 1 0 386.265 2.517 20 0 GFADRO CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)Nc2cc(Br)ccc2F)C1 ZINC000682354417 566151732 /nfs/dbraw/zinc/15/17/32/566151732.db2.gz BJEFJCULJZHHLQ-GFCCVEGCSA-N 1 0 386.265 2.516 20 0 GFADRO C[C@@H]1CCC[C@H](C[NH2+]C[C@H](O)COc2cc(F)cc(Br)c2)O1 ZINC000656709654 566155672 /nfs/dbraw/zinc/15/56/72/566155672.db2.gz CSWHZVUJZGTGJR-BYCMXARLSA-N 1 0 376.266 2.875 20 0 GFADRO CN(Cc1ccccc1Br)C(=O)NCC(C)(C)N1CC[NH+](C)CC1 ZINC000612332257 566157911 /nfs/dbraw/zinc/15/79/11/566157911.db2.gz USKSTJMNSSYJFA-UHFFFAOYSA-N 1 0 397.361 2.617 20 0 GFADRO CC(C)[NH+]1CCC(N2C(=O)N[C@@H](c3ccccc3Br)C2=O)CC1 ZINC000656794205 566165322 /nfs/dbraw/zinc/16/53/22/566165322.db2.gz LYPCFCKWJOZNQX-HNNXBMFYSA-N 1 0 380.286 2.915 20 0 GFADRO C[C@H]([NH2+]CCn1ccc(C(F)(F)F)n1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000634687586 566169985 /nfs/dbraw/zinc/16/99/85/566169985.db2.gz QXMNQKZDYFVCOB-JTQLQIEISA-N 1 0 379.379 2.795 20 0 GFADRO Cc1c2cc(C(=O)N[C@@H](C)[C@@H]3CN(C)CCO3)[nH]c2ccc1Br ZINC000612669026 566170073 /nfs/dbraw/zinc/17/00/73/566170073.db2.gz CXNPXDMFBJOOAK-ZBEGNZNMSA-N 1 0 380.286 2.688 20 0 GFADRO C[C@@](O)(C[C@H](O)C[NH2+]CCOc1ncc(C(F)(F)F)cc1Cl)C1CC1 ZINC000634705547 566171397 /nfs/dbraw/zinc/17/13/97/566171397.db2.gz CDTGBGSNJZHLGO-SWLSCSKDSA-N 1 0 382.810 2.634 20 0 GFADRO COc1cc(C(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)cc(Br)c1OC ZINC000634743532 566174456 /nfs/dbraw/zinc/17/44/56/566174456.db2.gz XAOFTAOKMPQTEA-CALCHBBNSA-N 1 0 383.286 2.538 20 0 GFADRO C[N@@H+]1CCCN(C(=O)NCCNc2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000612778794 566174692 /nfs/dbraw/zinc/17/46/92/566174692.db2.gz BBZOTHMSDJIKPU-UHFFFAOYSA-N 1 0 379.814 2.513 20 0 GFADRO C[C@@H](CNC(=O)N[C@@H]1CC12CC[NH2+]CC2)Oc1ccc(Br)cc1 ZINC000612977980 566180129 /nfs/dbraw/zinc/18/01/29/566180129.db2.gz UHKIBRVXVVPYAT-SWLSCSKDSA-N 1 0 382.302 2.658 20 0 GFADRO CC(C)[C@@H]1CN(C(=O)c2cnc3ncc(Br)cc3c2)CC[N@@H+]1C ZINC000683122131 566184237 /nfs/dbraw/zinc/18/42/37/566184237.db2.gz URLMFQRVEMCTIP-HNNXBMFYSA-N 1 0 377.286 2.805 20 0 GFADRO CC[N@H+](CCNC(=O)N1C[C@@H](C)O[C@@H](C(F)(F)F)C1)CCC(F)(F)F ZINC000683157765 566185258 /nfs/dbraw/zinc/18/52/58/566185258.db2.gz QZKJMBGOTWBTAQ-GHMZBOCLSA-N 1 0 379.345 2.622 20 0 GFADRO O=C1N[C@@H](Cc2cc(Cl)cc(Cl)c2)C(=O)N1[C@H]1CC[N@H+](CC2CC2)C1 ZINC000683288221 566192472 /nfs/dbraw/zinc/19/24/72/566192472.db2.gz VUMPXVWVHQDKHP-HOTGVXAUSA-N 1 0 382.291 2.941 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC000635112833 566194249 /nfs/dbraw/zinc/19/42/49/566194249.db2.gz RCBCHDQKZAUIKX-UHFFFAOYSA-N 1 0 394.313 2.688 20 0 GFADRO Cc1cc(NC(=O)c2ncc(Br)s2)n(C2CC[NH+](C)CC2)n1 ZINC000683410331 566198443 /nfs/dbraw/zinc/19/84/43/566198443.db2.gz QKZHTQLUVXOYDX-UHFFFAOYSA-N 1 0 384.303 2.930 20 0 GFADRO CCC1CCN(S(=O)(=O)N(C)C2CC[NH+](CCC(F)(F)F)CC2)CC1 ZINC000657006784 566204391 /nfs/dbraw/zinc/20/43/91/566204391.db2.gz COQJTXGSXZELNY-UHFFFAOYSA-N 1 0 385.496 2.702 20 0 GFADRO O=C1c2ccccc2C(=O)N1CC[NH2+]CCNc1ncc(Cl)cc1Cl ZINC000683707263 566210047 /nfs/dbraw/zinc/21/00/47/566210047.db2.gz ZZBNJBKFUFEMQJ-UHFFFAOYSA-N 1 0 379.247 2.686 20 0 GFADRO Cc1cc(Br)cc2c1[C@@H]([NH2+]CCCN1CCCS1(=O)=O)CC2 ZINC000683817438 566215621 /nfs/dbraw/zinc/21/56/21/566215621.db2.gz HIOBQSFTOLGWOX-HNNXBMFYSA-N 1 0 387.343 2.760 20 0 GFADRO Cc1cc(Br)cc2c1[C@H]([NH2+]CCCN(C)S(C)(=O)=O)CC2 ZINC000683814772 566215723 /nfs/dbraw/zinc/21/57/23/566215723.db2.gz RWQVUVDSKBNIEO-CQSZACIVSA-N 1 0 375.332 2.616 20 0 GFADRO O=C(Nc1nnc(-c2ccccc2Br)[n-]1)[C@H]1CCC[N@@H+]1C1CC1 ZINC000683893119 566217525 /nfs/dbraw/zinc/21/75/25/566217525.db2.gz VXSXPARCAMINLE-CYBMUJFWSA-N 1 0 376.258 2.800 20 0 GFADRO C[C@@H](CN(C)CCC[NH+](C)C)NS(=O)(=O)c1ccc(Cl)cc1Cl ZINC000657071598 566217703 /nfs/dbraw/zinc/21/77/03/566217703.db2.gz SCXJIIZACZGGOG-LBPRGKRZSA-N 1 0 382.357 2.544 20 0 GFADRO C[C@H](C(=O)Nc1cc(Cl)c(NC(=O)c2cnccn2)c(Cl)c1)[NH+](C)C ZINC000635575777 566219892 /nfs/dbraw/zinc/21/98/92/566219892.db2.gz SLBPWYIPLBRBKS-SECBINFHSA-N 1 0 382.251 2.924 20 0 GFADRO Cc1nc(CS(=O)(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2F)cs1 ZINC000684098618 566225814 /nfs/dbraw/zinc/22/58/14/566225814.db2.gz PEXVRHUVJBFDET-UHFFFAOYSA-N 1 0 389.493 2.623 20 0 GFADRO C[NH+](C)C1(CNC(=O)N2CCOc3c(Br)cccc3C2)CCC1 ZINC000684283379 566232627 /nfs/dbraw/zinc/23/26/27/566232627.db2.gz CGQNQOJZQSDDBY-UHFFFAOYSA-N 1 0 382.302 2.837 20 0 GFADRO Cc1nc2ccc(Br)cn2c1C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000684437397 566235284 /nfs/dbraw/zinc/23/52/84/566235284.db2.gz UFNMFFVBTZWBMA-CQSZACIVSA-N 1 0 377.286 2.619 20 0 GFADRO C[C@@H]([NH2+][C@H]1CC[C@@H](CO)CC1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000684551942 566238208 /nfs/dbraw/zinc/23/82/08/566238208.db2.gz CGVYCCKTFORULL-MXWKQRLJSA-N 1 0 381.325 2.843 20 0 GFADRO COC1(c2nc(C3CCOCC3)no2)CC[NH+](Cc2cnn3ccccc23)CC1 ZINC000583615929 570801146 /nfs/dbraw/zinc/80/11/46/570801146.db2.gz QVJUXCVJXWFPSB-UHFFFAOYSA-N 1 0 397.479 2.749 20 0 GFADRO Cc1ccc(NC(=O)[C@@H](C)Oc2ccccc2-c2nn[nH]n2)c(C[NH+](C)C)c1 ZINC000737355172 598868927 /nfs/dbraw/zinc/86/89/27/598868927.db2.gz AZWSKSZIKMYFIN-CQSZACIVSA-N 1 0 380.452 2.643 20 0 GFADRO OCCC[N@H+](Cc1cn2ccccc2c1-c1nn[nH]n1)[C@@H]1CCc2ccccc21 ZINC000738393536 598897911 /nfs/dbraw/zinc/89/79/11/598897911.db2.gz JIZIVVVRPJKINP-LJQANCHMSA-N 1 0 388.475 2.991 20 0 GFADRO OCCC[N@H+](CCOc1ccccc1-c1nn[nH]n1)[C@@H]1CCc2ccccc21 ZINC000738393160 598898213 /nfs/dbraw/zinc/89/82/13/598898213.db2.gz FTMIIPIPRIVARQ-LJQANCHMSA-N 1 0 379.464 2.617 20 0 GFADRO C[C@H]1CC(NC(=O)N(CC[NH+](C)C)Cc2ccc(-c3nn[nH]n3)cc2)C[C@H](C)C1 ZINC000736222224 598908138 /nfs/dbraw/zinc/90/81/38/598908138.db2.gz BOWMKYHUWPDPEE-HZPDHXFCSA-N 1 0 399.543 2.765 20 0 GFADRO S=C(NC[C@H]1CCC[N@@H+]1Cc1ccccc1)Nc1ccccc1-c1nn[nH]n1 ZINC000738401470 598926848 /nfs/dbraw/zinc/92/68/48/598926848.db2.gz QGOBBBRYJIXOLA-MRXNPFEDSA-N 1 0 393.520 2.818 20 0 GFADRO C[C@H](CC[NH+](C)C)NC(=O)c1cccc(COc2ccccc2-c2nn[nH]n2)c1 ZINC000735987383 598932272 /nfs/dbraw/zinc/93/22/72/598932272.db2.gz TYTCHRKWWKWCGL-OAHLLOKOSA-N 1 0 394.479 2.516 20 0 GFADRO C(=C\c1ccccc1)\C[NH+]1CCN(c2c3ccccc3nnc2-c2nn[nH]n2)CC1 ZINC000735390720 598954285 /nfs/dbraw/zinc/95/42/85/598954285.db2.gz DBBRLCOFJZBNFY-TWGQIWQCSA-N 1 0 398.474 2.645 20 0 GFADRO CCOc1ccc([C@H](C)[NH2+][C@H]2CCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)cc1 ZINC000736638101 598959661 /nfs/dbraw/zinc/95/96/61/598959661.db2.gz TZHILMSKCRXBHZ-LIRRHRJNSA-N 1 0 392.463 2.722 20 0 GFADRO CCc1ccc([C@H](C)[NH2+][C@@H]2CCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)cc1 ZINC000736684946 598959745 /nfs/dbraw/zinc/95/97/45/598959745.db2.gz IIUPVCPCPFWLOF-IFXJQAMLSA-N 1 0 376.464 2.885 20 0 GFADRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(c2c3ccccc3nnc2-c2nn[nH]n2)C1 ZINC000736269353 598968782 /nfs/dbraw/zinc/96/87/82/598968782.db2.gz WFSFTHGENBKYPW-JKSUJKDBSA-N 1 0 392.511 2.901 20 0 GFADRO COc1cc(-c2nn[nH]n2)ccc1OCC[NH+]1CCC(c2ccc(O)cc2)CC1 ZINC000737033655 598980821 /nfs/dbraw/zinc/98/08/21/598980821.db2.gz WPMYMTCYUUKZPT-UHFFFAOYSA-N 1 0 395.463 2.839 20 0 GFADRO COc1cc(-c2nn[nH]n2)ccc1OCC[N@@H+](Cc1cccc(O)c1)CC1CC1 ZINC000737032593 598984782 /nfs/dbraw/zinc/98/47/82/598984782.db2.gz MCKSXQSNXHUDNW-UHFFFAOYSA-N 1 0 395.463 2.872 20 0 GFADRO COc1ccc(C[N@H+](C)CCOc2ccc(-c3nn[nH]n3)cc2OC)cc1C ZINC000737090145 598986701 /nfs/dbraw/zinc/98/67/01/598986701.db2.gz IOLMIXCGVTXNOG-UHFFFAOYSA-N 1 0 383.452 2.703 20 0 GFADRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1CCOc1ccccc1-c1nn[nH]n1 ZINC000736290953 598993279 /nfs/dbraw/zinc/99/32/79/598993279.db2.gz SGKZUAZENWEOFC-GOSISDBHSA-N 1 0 392.507 2.842 20 0 GFADRO C[C@@H](C[NH2+]Cc1cccc(OCc2cccc(-c3nn[nH]n3)c2)c1)C[C@H](C)O ZINC000736142743 599010643 /nfs/dbraw/zinc/01/06/43/599010643.db2.gz GQVDFGSLUSGVHB-CVEARBPZSA-N 1 0 381.480 2.942 20 0 GFADRO C[C@H](O)C[C@H](C)C[NH2+]Cc1cccc(OCc2ccccc2-c2nn[nH]n2)c1 ZINC000736146148 599011094 /nfs/dbraw/zinc/01/10/94/599011094.db2.gz XOASMCFYHNHZOG-HOTGVXAUSA-N 1 0 381.480 2.942 20 0 GFADRO FC(F)(F)c1ccc(-c2nn[nH]n2)c(N2CC[C@H](C[NH+]3CCCCC3)C2)n1 ZINC000822723749 599058172 /nfs/dbraw/zinc/05/81/72/599058172.db2.gz MZZCDDQTMROSSA-GFCCVEGCSA-N 1 0 381.406 2.593 20 0 GFADRO C[C@@H]1CCC[C@H](C(=O)N2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC000736244912 599097751 /nfs/dbraw/zinc/09/77/51/599097751.db2.gz PLDNNJBDTGQKAG-APWZRJJASA-N 1 0 382.512 2.727 20 0 GFADRO Cc1cc(F)cc(C(=O)N2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)c1 ZINC000822203274 599135360 /nfs/dbraw/zinc/13/53/60/599135360.db2.gz LZOPVOMDCJMAAH-UHFFFAOYSA-N 1 0 394.454 2.662 20 0 GFADRO C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)Nc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000821614677 599243819 /nfs/dbraw/zinc/24/38/19/599243819.db2.gz QJURDYMELHGION-SFHVURJKSA-N 1 0 377.452 2.605 20 0 GFADRO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)Nc1ccc(Cl)cc1-c1nn[nH]n1 ZINC000736009598 599267747 /nfs/dbraw/zinc/26/77/47/599267747.db2.gz HPAMEFOACGFYRR-CQSZACIVSA-N 1 0 398.902 2.538 20 0 GFADRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(CCC(=O)Nc2cccc(-c3nn[nH]n3)c2)C1 ZINC000736236740 599268831 /nfs/dbraw/zinc/26/88/31/599268831.db2.gz MITWYJJKKWNEQI-MDZRGWNJSA-N 1 0 397.527 2.533 20 0 GFADRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(CCCOc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000736237362 599270829 /nfs/dbraw/zinc/27/08/29/599270829.db2.gz QANAPYIZNWJVDY-SCTDSRPQSA-N 1 0 384.528 2.973 20 0 GFADRO CC[NH+](CC)C[C@H](C)NC(=O)Nc1ccc(-c2nn[nH]n2)c(C(F)(F)F)c1 ZINC000821180383 599286598 /nfs/dbraw/zinc/28/65/98/599286598.db2.gz CEWJGXQEOISUIU-JTQLQIEISA-N 1 0 385.394 2.737 20 0 GFADRO COc1ccc(OC)c(C[NH+]2CCC(Oc3cccc(-c4nn[nH]n4)c3)CC2)c1 ZINC000737110409 598249071 /nfs/dbraw/zinc/24/90/71/598249071.db2.gz XMKFMKXJJYILMB-UHFFFAOYSA-N 1 0 395.463 2.927 20 0 GFADRO COc1c(C)cc(C[N@H+](C)CCC(=O)Nc2ccccc2-c2nn[nH]n2)cc1C ZINC000737025179 598258174 /nfs/dbraw/zinc/25/81/74/598258174.db2.gz XFRHYUQAPGDXBK-UHFFFAOYSA-N 1 0 394.479 2.953 20 0 GFADRO COc1c(C)cnc(C[NH+]2CCC(Oc3cccc(-c4nn[nH]n4)c3)CC2)c1C ZINC000737023824 598262158 /nfs/dbraw/zinc/26/21/58/598262158.db2.gz FFWTVYLQKGMARY-UHFFFAOYSA-N 1 0 394.479 2.931 20 0 GFADRO O=C(NCc1ccc(-c2nn[nH]n2)cc1F)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000738100915 598299814 /nfs/dbraw/zinc/29/98/14/598299814.db2.gz UOGGWGFREBILMO-GOSISDBHSA-N 1 0 394.454 2.534 20 0 GFADRO Cc1ccccc1C1CC[NH+](C[C@H](O)COc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000737425069 598405906 /nfs/dbraw/zinc/40/59/06/598405906.db2.gz YNOLHRKGFBODLM-IBGZPJMESA-N 1 0 393.491 2.794 20 0 GFADRO COc1ccc([C@@H]([NH2+]CC(=O)Nc2sccc2-c2nn[nH]n2)C(C)C)cc1 ZINC000737073226 598431599 /nfs/dbraw/zinc/43/15/99/598431599.db2.gz ACNZZQGGGIVNQO-INIZCTEOSA-N 1 0 386.481 2.862 20 0 GFADRO CC[NH+](CC)[C@H](CNC(=O)c1ccc(-c2nn[nH]n2)cn1)c1ccccc1Cl ZINC000736532804 598438087 /nfs/dbraw/zinc/43/80/87/598438087.db2.gz CXDJLOXOOGLPBV-QGZVFWFLSA-N 1 0 399.886 2.728 20 0 GFADRO O=C(Nc1ccc(C[NH+]2CCCCCC2)cc1)c1ccc(-c2nn[nH]n2)cn1 ZINC000738158845 598462532 /nfs/dbraw/zinc/46/25/32/598462532.db2.gz KKZLKEIXQSZUJW-UHFFFAOYSA-N 1 0 377.452 2.890 20 0 GFADRO C[NH+](C)CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)Cc1cccc(Cl)c1 ZINC000736768230 598495879 /nfs/dbraw/zinc/49/58/79/598495879.db2.gz YRFGTHCZONIIKE-UHFFFAOYSA-N 1 0 398.898 2.653 20 0 GFADRO O=C(N[C@@H](C[NH+]1CCCCC1)c1ccccc1)c1cccc(-c2nn[nH]n2)c1 ZINC000737997398 598496237 /nfs/dbraw/zinc/49/62/37/598496237.db2.gz VDMWAFRBFYFHDT-IBGZPJMESA-N 1 0 376.464 2.824 20 0 GFADRO C[C@H](CNC(=O)c1ccccc1-c1ccccc1-c1nn[nH]n1)[N@H+](C)C1CC1 ZINC000736025210 598502138 /nfs/dbraw/zinc/50/21/38/598502138.db2.gz CIEHHGWEGDXUJK-CQSZACIVSA-N 1 0 376.464 2.746 20 0 GFADRO Clc1ccc([C@@H]([NH2+]C[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)C2CCC2)cc1 ZINC000737571224 598530960 /nfs/dbraw/zinc/53/09/60/598530960.db2.gz XGIAKUKEYIKLIH-SJCJKPOMSA-N 1 0 398.902 2.889 20 0 GFADRO CC1(C)CN(C2(C[NH2+]Cc3cccc(-c4nn[nH]n4)c3)CCCCC2)CCO1 ZINC000736213665 598540467 /nfs/dbraw/zinc/54/04/67/598540467.db2.gz LUGFNXGLOFLTIK-UHFFFAOYSA-N 1 0 384.528 2.770 20 0 GFADRO CC[N@H+](CC(=O)Nc1cccc(-c2nn[nH]n2)c1)[C@H](C)Cc1ccc(OC)cc1 ZINC000736510718 598557623 /nfs/dbraw/zinc/55/76/23/598557623.db2.gz HGHUCMXFCOVZLS-OAHLLOKOSA-N 1 0 394.479 2.767 20 0 GFADRO CC(C)C[C@H](CO)[NH2+]Cc1cccc(OCc2ccccc2-c2nn[nH]n2)c1 ZINC000735769956 598561301 /nfs/dbraw/zinc/56/13/01/598561301.db2.gz JPJRBEIRWHNBDQ-GOSISDBHSA-N 1 0 381.480 2.942 20 0 GFADRO C[C@@H](CNC(=O)Nc1ccc(Oc2cccc(-c3nn[nH]n3)c2)cc1)[NH+](C)C ZINC000736017949 598564508 /nfs/dbraw/zinc/56/45/08/598564508.db2.gz SORKTOZHYATRQE-ZDUSSCGKSA-N 1 0 381.440 2.731 20 0 GFADRO CCC(CC)[N@H+](CCOC)CC(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000736345638 598614386 /nfs/dbraw/zinc/61/43/86/598614386.db2.gz KXLJYSBDRLZQMR-UHFFFAOYSA-N 1 0 380.880 2.596 20 0 GFADRO C[NH+](C)[C@@H]1CCN(C(=O)Nc2ccc(Oc3ccc(-c4nn[nH]n4)cc3)cc2)C1 ZINC000736756799 598623293 /nfs/dbraw/zinc/62/32/93/598623293.db2.gz LZWOPBNEYZYAHH-MRXNPFEDSA-N 1 0 393.451 2.827 20 0 GFADRO Fc1cc(-c2nn[nH]n2)ccc1N1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000737640098 598669529 /nfs/dbraw/zinc/66/95/29/598669529.db2.gz JNTYZGQFYASCCN-UHFFFAOYSA-N 1 0 375.411 2.881 20 0 GFADRO Clc1cc(-c2nn[nH]n2)cnc1NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000737559447 598675211 /nfs/dbraw/zinc/67/52/11/598675211.db2.gz YAGUGQDMYOOBDX-OAHLLOKOSA-N 1 0 383.887 2.892 20 0 GFADRO O=C(CC1CC[NH+](Cc2ccc(F)cc2-c2nn[nH]n2)CC1)NC1CCCC1 ZINC000737823956 598683277 /nfs/dbraw/zinc/68/32/77/598683277.db2.gz SGVRRORIWWSXGH-UHFFFAOYSA-N 1 0 386.475 2.667 20 0 GFADRO C[C@@H](C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)[N@@H+]1CC[C@@H](c2ccco2)C1 ZINC000735550872 598703235 /nfs/dbraw/zinc/70/32/35/598703235.db2.gz MKSOWPPEVDYKFW-NWDGAFQWSA-N 1 0 386.843 2.930 20 0 GFADRO CCSc1ccc([C@H](C)[NH2+]Cc2cnc3c(-c4nn[nH]n4)cnn3c2)cc1 ZINC000736664740 598728778 /nfs/dbraw/zinc/72/87/78/598728778.db2.gz CZKPRNQBWPZGPY-LBPRGKRZSA-N 1 0 380.481 2.872 20 0 GFADRO CC(C)(C)[C@H](O)C[NH2+]Cc1cccc(OCc2cccc(-c3nn[nH]n3)c2)c1 ZINC000735597202 598777749 /nfs/dbraw/zinc/77/77/49/598777749.db2.gz NMNHGROJWCAFEL-LJQANCHMSA-N 1 0 381.480 2.942 20 0 GFADRO c1ccc2c(c1)OC[C@@H](C[NH+]1CCC(Oc3ccc(-c4nn[nH]n4)cc3)CC1)O2 ZINC000738443542 598781361 /nfs/dbraw/zinc/78/13/61/598781361.db2.gz XLROWEBBPFXVRM-GOSISDBHSA-N 1 0 393.447 2.550 20 0 GFADRO C[C@@H](c1ccc(-c2nn[nH]n2)cc1)[N@@H+]1CCCN(C(=O)c2ccsc2)CC1 ZINC000736199256 599311577 /nfs/dbraw/zinc/31/15/77/599311577.db2.gz WVEYVQUASOMCIN-AWEZNQCLSA-N 1 0 382.493 2.837 20 0 GFADRO C[C@@H](c1ccc(-c2nn[nH]n2)cc1)[NH+]1CCC(C(=O)N2CCC(C)CC2)CC1 ZINC000736279501 599320249 /nfs/dbraw/zinc/32/02/49/599320249.db2.gz YNMZHCUTOWFGPH-INIZCTEOSA-N 1 0 382.512 2.898 20 0 GFADRO CCO[C@@H]1C[C@@H]([NH2+][C@H](C)C(=O)Nc2cccc(-c3nn[nH]n3)c2)C12CCCC2 ZINC000821360343 599386769 /nfs/dbraw/zinc/38/67/69/599386769.db2.gz QUHXSEHEPGWCIL-KBRIMQKVSA-N 1 0 384.484 2.521 20 0 GFADRO CCOc1ccccc1NC(=O)[C@H](C)[NH2+][C@H](C)c1cccc(-c2nn[nH]n2)c1 ZINC000821436910 599389188 /nfs/dbraw/zinc/38/91/88/599389188.db2.gz HNCNFOQXGMSKNT-KGLIPLIRSA-N 1 0 380.452 2.943 20 0 GFADRO Cc1ccccc1CCNC(=O)[C@H](C)[NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1 ZINC000822356101 599389250 /nfs/dbraw/zinc/38/92/50/599389250.db2.gz JLQRAUOFBQKIOU-HOTGVXAUSA-N 1 0 378.480 2.573 20 0 GFADRO COc1ccc(C[C@@H](C)[NH2+]Cc2ccc(OC)c(-c3nn[nH]n3)c2)cc1OC ZINC000821786560 599433262 /nfs/dbraw/zinc/43/32/62/599433262.db2.gz FNAAVVGOWPPPFX-CYBMUJFWSA-N 1 0 383.452 2.613 20 0 GFADRO CC[C@H](C)C[C@@H](C)NC(=O)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000820870515 599455840 /nfs/dbraw/zinc/45/58/40/599455840.db2.gz UGYFMPGTAITWIN-DLBZAZTESA-N 1 0 399.543 2.909 20 0 GFADRO O=C(C[N@H+]1CC[C@@H](Cc2ccc(F)cc2)C1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000737876510 599478248 /nfs/dbraw/zinc/47/82/48/599478248.db2.gz REZKZHCXMNWOGO-HNNXBMFYSA-N 1 0 380.427 2.509 20 0 GFADRO O=C(C[N@H+]1CC[C@H](Cc2ccc(F)cc2)C1)Nc1cccc(-c2nn[nH]n2)c1 ZINC000737875299 599478436 /nfs/dbraw/zinc/47/84/36/599478436.db2.gz HWCTZDARXZSQSW-OAHLLOKOSA-N 1 0 380.427 2.509 20 0 GFADRO Cc1ccc(OCCCC[NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)cc1 ZINC000737366951 599484988 /nfs/dbraw/zinc/48/49/88/599484988.db2.gz XIPCVJQFBRCVDS-UHFFFAOYSA-N 1 0 377.452 2.772 20 0 GFADRO Clc1ccc2ncc(-c3nn[nH]n3)c(NC3CC[NH+](CC4CC4)CC3)c2c1 ZINC000822582456 599486392 /nfs/dbraw/zinc/48/63/92/599486392.db2.gz UKCKLNFKPHNFJA-UHFFFAOYSA-N 1 0 383.887 2.777 20 0 GFADRO CC(C)(C)n1ncc2c1CCC[C@H]2[NH2+]Cc1cnc2ccc(-c3nn[nH]n3)cn12 ZINC000735664639 599487975 /nfs/dbraw/zinc/48/79/75/599487975.db2.gz MNKUMUJJNHLASF-MRXNPFEDSA-N 1 0 391.483 2.633 20 0 GFADRO C[C@H]1CN(c2ccc(-c3nn[nH]n3)c(Cl)c2)CC[N@@H+]1C[C@@H](O)c1ccccc1 ZINC000820768769 599530577 /nfs/dbraw/zinc/53/05/77/599530577.db2.gz PNLRDDDXJMEUMF-IFXJQAMLSA-N 1 0 398.898 2.764 20 0 GFADRO CC[N@@H+]1CC[C@H](CNC(=O)c2cccc(Nc3ccc(-c4nn[nH]n4)cc3)c2)C1 ZINC000736564469 599564683 /nfs/dbraw/zinc/56/46/83/599564683.db2.gz BTXIOCIUFVXBAM-OAHLLOKOSA-N 1 0 391.479 2.682 20 0 GFADRO Cc1cc(N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)n2c3ccccc3nc2c1-c1nn[nH]n1 ZINC000822205675 599578087 /nfs/dbraw/zinc/57/80/87/599578087.db2.gz DPFKYHJITFRTCV-HUUCEWRRSA-N 1 0 390.495 2.895 20 0 GFADRO CC[C@@H](c1ccc(F)cc1)[NH+]1CCN(c2nnc(C)c(C)c2-c2nn[nH]n2)CC1 ZINC000736390812 599581078 /nfs/dbraw/zinc/58/10/78/599581078.db2.gz KIPKEPWCXLAOKX-KRWDZBQOSA-N 1 0 396.474 2.686 20 0 GFADRO c1ccc(COC[C@H]2CC[N@@H+](CCOc3ccc(-c4nn[nH]n4)cc3)C2)cc1 ZINC000823787635 599584254 /nfs/dbraw/zinc/58/42/54/599584254.db2.gz OCDYAFJSABHDOW-SFHVURJKSA-N 1 0 379.464 2.784 20 0 GFADRO Cc1nnc(NC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)c(-c2nn[nH]n2)c1C ZINC000822515526 599584311 /nfs/dbraw/zinc/58/43/11/599584311.db2.gz NMBZRQSFGFLYMJ-CZUORRHYSA-N 1 0 384.513 2.830 20 0 GFADRO C[C@@H]1c2c(F)cccc2CC[N@H+]1CCC(=O)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000736301235 599591424 /nfs/dbraw/zinc/59/14/24/599591424.db2.gz MZISVJPQINWDQD-CYBMUJFWSA-N 1 0 380.427 2.954 20 0 GFADRO C[C@H]1c2ccc(F)cc2CC[N@H+]1CCC(=O)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000736302309 599591651 /nfs/dbraw/zinc/59/16/51/599591651.db2.gz GHTGKYOZGSSHRE-ZDUSSCGKSA-N 1 0 380.427 2.954 20 0 GFADRO CCS[C@@H]1CC[C@H]([N@H+](C)CCOc2ccc(-c3nn[nH]n3)cc2OC)C1 ZINC000821449825 599592848 /nfs/dbraw/zinc/59/28/48/599592848.db2.gz XVFCLTKQEXENNP-LSDHHAIUSA-N 1 0 377.514 2.860 20 0 GFADRO CN(Cc1cc(-c2nn[nH]n2)ccc1F)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000821607293 599592926 /nfs/dbraw/zinc/59/29/26/599592926.db2.gz IMUXEZZTNKQLCT-QGZVFWFLSA-N 1 0 380.471 2.960 20 0 GFADRO O=C(c1ccc(F)cc1)[C@@H]1CCC[N@H+](CCOc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000738265889 599593211 /nfs/dbraw/zinc/59/32/11/599593211.db2.gz FGUHMEUSFGWNPE-QGZVFWFLSA-N 1 0 395.438 2.980 20 0 GFADRO CSC[C@@](C)(O)C[NH2+]Cc1cccc(OCc2cccc(-c3nn[nH]n3)c2)c1 ZINC000737179836 599599981 /nfs/dbraw/zinc/59/99/81/599599981.db2.gz NBWUOBVXBHSLHJ-FQEVSTJZSA-N 1 0 399.520 2.649 20 0 GFADRO Cc1ccc(NC(=O)Nc2ccc(-c3nn[nH]n3)cc2)c(OCC[NH+](C)C)c1 ZINC000737360497 599601637 /nfs/dbraw/zinc/60/16/37/599601637.db2.gz PIFZGMFWJAVYOK-UHFFFAOYSA-N 1 0 381.440 2.760 20 0 GFADRO C[C@@H](NC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000736110930 599608597 /nfs/dbraw/zinc/60/85/97/599608597.db2.gz CUWBEVVPFUZTOQ-QAPCUYQASA-N 1 0 383.500 2.588 20 0 GFADRO CCSCC[C@@H](C)[N@H+](C)CC(=O)Nc1cc(Cl)ccc1-c1nn[nH]n1 ZINC000821457404 599646487 /nfs/dbraw/zinc/64/64/87/599646487.db2.gz WHHBTBJMXKAKQY-LLVKDONJSA-N 1 0 382.921 2.922 20 0 GFADRO C[C@H]1CC[N@H+](CCOc2ccc(NC(=O)c3sccc3-c3nn[nH]n3)cc2)C1 ZINC000820722234 599654813 /nfs/dbraw/zinc/65/48/13/599654813.db2.gz GFXOMDRCRURTLO-ZDUSSCGKSA-N 1 0 398.492 2.901 20 0 GFADRO C[C@@H](NC(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C)c1cccc(-c2nn[nH]n2)c1 ZINC000820357763 599665131 /nfs/dbraw/zinc/66/51/31/599665131.db2.gz JRWBVYDTGVLUNJ-ACJLOTCBSA-N 1 0 397.458 2.669 20 0 GFADRO CC[C@@H](C)C[C@H](C)NC(=O)N(CC[NH+](C)C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000820869211 599678483 /nfs/dbraw/zinc/67/84/83/599678483.db2.gz DZWIMSHVTNODCV-CVEARBPZSA-N 1 0 387.532 2.765 20 0 GFADRO Clc1ccc(-c2nn[nH]n2)c(N2CCC(OCC[NH+]3CCCC3)CC2)c1 ZINC000822568651 599689082 /nfs/dbraw/zinc/68/90/82/599689082.db2.gz UZXWHCCRRVNNEW-UHFFFAOYSA-N 1 0 376.892 2.601 20 0 GFADRO CC[NH+](CC)Cc1ccc(C(=O)NC2(c3cccc(-c4nn[nH]n4)c3)CC2)o1 ZINC000825418091 607417441 /nfs/dbraw/zinc/41/74/41/607417441.db2.gz WZOUBJNOXCLRIP-UHFFFAOYSA-N 1 0 380.452 2.721 20 0 GFADRO CC[C@H](C)[N@H+](C)CCNC(=O)Nc1ccc(OC(C)C)c(-c2nn[nH]n2)c1 ZINC000820876192 607428089 /nfs/dbraw/zinc/42/80/89/607428089.db2.gz MYNKKQWGDVOUIJ-ZDUSSCGKSA-N 1 0 375.477 2.506 20 0 GFADRO C[NH+](C)CCNC(=O)c1cccc(C[NH2+][C@@H](C(=O)[O-])c2cccc(Cl)c2)c1 ZINC000737367542 600433218 /nfs/dbraw/zinc/43/32/18/600433218.db2.gz NBAYHKJXKDDLRW-GOSISDBHSA-N 1 0 389.883 2.547 20 0 GFADRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)NC2(c3cccc(-c4nn[nH]n4)c3)CC2)C1 ZINC000824877347 607450098 /nfs/dbraw/zinc/45/00/98/607450098.db2.gz XOTVTCWOSXTUHJ-HZPDHXFCSA-N 1 0 397.527 2.523 20 0 GFADRO C[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)C[C@@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC000821613635 607461351 /nfs/dbraw/zinc/46/13/51/607461351.db2.gz WFACTJZUJDESLI-KRWDZBQOSA-N 1 0 391.397 2.921 20 0 GFADRO COC(=O)[C@H]1CC12CC[NH+](CCCCC[NH+]1CCC3(C[C@@H]3C(=O)[O-])CC1)CC2 ZINC000737580944 600714299 /nfs/dbraw/zinc/71/42/99/600714299.db2.gz YSMAQIDFHWIYRL-QZTJIDSGSA-N 1 0 392.540 2.619 20 0 GFADRO CC[C@@H](O)C[N@H+](CCCOc1ccc(-c2nn[nH]n2)cc1)Cc1ccccc1 ZINC000825154426 607473142 /nfs/dbraw/zinc/47/31/42/607473142.db2.gz ONKLNROVMHNBNI-LJQANCHMSA-N 1 0 381.480 2.909 20 0 GFADRO COc1cc(-c2nn[nH]n2)ccc1OCC[N@H+](C)[C@@H](C)[C@@H]1Cc2ccccc2O1 ZINC000826175430 607473986 /nfs/dbraw/zinc/47/39/86/607473986.db2.gz DYEKWVQPQLJALC-LIRRHRJNSA-N 1 0 395.463 2.578 20 0 GFADRO COc1ccc(C[NH+]2CCC([C@H](O)c3ccccc3)CC2)cc1-c1nn[nH]n1 ZINC000826193538 607482523 /nfs/dbraw/zinc/48/25/23/607482523.db2.gz GSVYOVYVOCPCSR-HXUWFJFHSA-N 1 0 379.464 2.821 20 0 GFADRO Cc1c(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cccc1-c1nn[nH]n1 ZINC000822084517 607507500 /nfs/dbraw/zinc/50/75/00/607507500.db2.gz LQOOAKUHKKJZFZ-KBXCAEBGSA-N 1 0 381.484 2.656 20 0 GFADRO C[C@H]1C[C@@H](N(C)Cc2ccnc(-c3nn[nH]n3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000824886391 607512828 /nfs/dbraw/zinc/51/28/28/607512828.db2.gz YDIDVDJOXMGNKF-LPHOPBHVSA-N 1 0 377.496 2.747 20 0 GFADRO CCCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000825317810 607540385 /nfs/dbraw/zinc/54/03/85/607540385.db2.gz CLYGWQAXCXOFBO-UHFFFAOYSA-N 1 0 399.543 2.909 20 0 GFADRO C[C@@H]([NH2+]CC(=O)NCc1cccc(-c2nn[nH]n2)c1)c1ccc2c(c1)CCCC2 ZINC000824562622 607636934 /nfs/dbraw/zinc/63/69/34/607636934.db2.gz HSGMWKSWKKZSGA-OAHLLOKOSA-N 1 0 390.491 2.713 20 0 GFADRO O=C(Nc1cccc(-c2nn[nH]n2)c1)C1CC[NH+](C[C@H]2CC2(Cl)Cl)CC1 ZINC000826456328 607657427 /nfs/dbraw/zinc/65/74/27/607657427.db2.gz YZXSVYZYWOOOAT-CYBMUJFWSA-N 1 0 395.294 2.711 20 0 GFADRO Cc1cc(-c2nn[nH]n2)ccc1C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000826246315 607661947 /nfs/dbraw/zinc/66/19/47/607661947.db2.gz ASDJIGFTHKEZQZ-SFHVURJKSA-N 1 0 376.464 2.570 20 0 GFADRO C[NH+](C)Cc1cccc(NC(=O)NC2(c3cccc(-c4nn[nH]n4)c3)CC2)c1 ZINC000825870607 607673226 /nfs/dbraw/zinc/67/32/26/607673226.db2.gz UOTKMSLQKZGLMP-UHFFFAOYSA-N 1 0 377.452 2.739 20 0 GFADRO Cc1cc(-c2nn[nH]n2)ccc1C(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000826248109 607673378 /nfs/dbraw/zinc/67/33/78/607673378.db2.gz WWBHSEJEIJTRMN-UHFFFAOYSA-N 1 0 382.512 2.950 20 0 GFADRO CC[C@@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1c1ncccc1-c1nn[nH]n1 ZINC000825059578 607679841 /nfs/dbraw/zinc/67/98/41/607679841.db2.gz HEORDFHTKGPSRK-DNVCBOLYSA-N 1 0 392.511 2.702 20 0 GFADRO C[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)C[C@H](O)c1ccccc1Br ZINC000825975959 607687463 /nfs/dbraw/zinc/68/74/63/607687463.db2.gz CFJDDFXSHJMFTC-INIZCTEOSA-N 1 0 388.269 2.795 20 0 GFADRO Cc1cc(-c2nn[nH]n2)ccc1C(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000826244291 607701584 /nfs/dbraw/zinc/70/15/84/607701584.db2.gz NELBLYYJKZUVGN-UHFFFAOYSA-N 1 0 390.491 2.912 20 0 GFADRO Cc1cc(-c2nn[nH]n2)ccc1C(=O)N[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000826246497 607704388 /nfs/dbraw/zinc/70/43/88/607704388.db2.gz FOKAXOAOTPNOIW-MAUKXSAKSA-N 1 0 376.464 2.568 20 0 GFADRO CCC[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)Cc1ccccc1CC(=O)OC ZINC000825322814 607737310 /nfs/dbraw/zinc/73/73/10/607737310.db2.gz JOPMGCPFAPGWGJ-UHFFFAOYSA-N 1 0 379.464 2.994 20 0 GFADRO CCC(CC)(CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)[NH2+][C@H](C)c1ccccc1 ZINC000825089614 607738632 /nfs/dbraw/zinc/73/86/32/607738632.db2.gz JFGKPKTWJFQQBQ-CQSZACIVSA-N 1 0 381.484 2.834 20 0 GFADRO CCC(CC)(CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)[NH2+][C@@H](C)c1ccccc1 ZINC000825089613 607738952 /nfs/dbraw/zinc/73/89/52/607738952.db2.gz JFGKPKTWJFQQBQ-AWEZNQCLSA-N 1 0 381.484 2.834 20 0 GFADRO Cn1c(C[NH2+]CCOc2ccc(-c3nn[nH]n3)cc2)nc2cc(Cl)ccc21 ZINC000826355334 607751295 /nfs/dbraw/zinc/75/12/95/607751295.db2.gz UXOMABMVZBHCBO-UHFFFAOYSA-N 1 0 383.843 2.575 20 0 GFADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000833860889 605595131 /nfs/dbraw/zinc/59/51/31/605595131.db2.gz CJIVROLUUJIKRY-ZNXRZULTSA-N 1 0 388.512 2.922 20 0 GFADRO FC(F)(F)c1ccc(C[N@@H+]2CC[C@H](Nc3ccc(-c4nn[nH]n4)nc3)C2)cc1 ZINC000822723814 606087857 /nfs/dbraw/zinc/08/78/57/606087857.db2.gz PKEWMFRHSGUNCD-HNNXBMFYSA-N 1 0 389.385 2.967 20 0 GFADRO C[C@@H](c1ccccn1)[NH+]1CCN(c2c(-c3nn[nH]n3)cnc3ccccc32)CC1 ZINC000820571444 606110002 /nfs/dbraw/zinc/11/00/02/606110002.db2.gz YPXVCMSVILTTND-HNNXBMFYSA-N 1 0 386.463 2.693 20 0 GFADRO NC(=O)C[C@H]1CCC[N@H+](Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)C1 ZINC000822864745 606114112 /nfs/dbraw/zinc/11/41/12/606114112.db2.gz KICAAZWXOIJWTK-MRXNPFEDSA-N 1 0 376.464 2.621 20 0 GFADRO C[C@@H]1C[NH+](CCCNc2ccc(C(F)(F)F)cc2-c2nn[nH]n2)C[C@@H](C)O1 ZINC000820759786 606173771 /nfs/dbraw/zinc/17/37/71/606173771.db2.gz NRDMLKPJFZMXNA-VXGBXAGGSA-N 1 0 384.406 2.797 20 0 GFADRO COc1ccc(Br)cc1C[NH2+]Cc1cc(-c2nn[nH]n2)cs1 ZINC000821769995 606217157 /nfs/dbraw/zinc/21/71/57/606217157.db2.gz MVPUICFDKNBXIV-UHFFFAOYSA-N 1 0 380.271 2.989 20 0 GFADRO CC(C)C[C@H](CNC(=O)c1cc(-c2nn[nH]n2)cn1C)[NH2+][C@H](C)c1ccccc1 ZINC000820055938 606291260 /nfs/dbraw/zinc/29/12/60/606291260.db2.gz LZIBIMVRGHRTLM-CRAIPNDOSA-N 1 0 395.511 2.701 20 0 GFADRO C[C@@H]([NH2+][C@@H]1CCN(c2sccc2-c2nn[nH]n2)C1=O)c1ccc(F)c(F)c1 ZINC000820420456 606297680 /nfs/dbraw/zinc/29/76/80/606297680.db2.gz RHPVYSVAPLXMRY-YMTOWFKASA-N 1 0 390.419 2.663 20 0 GFADRO O=C1[C@@H]([NH+]2CCC(c3ccccc3)CC2)CCN1c1sccc1-c1nn[nH]n1 ZINC000823504233 606317255 /nfs/dbraw/zinc/31/72/55/606317255.db2.gz NKGTXDLHJNSBKS-KRWDZBQOSA-N 1 0 394.504 2.913 20 0 GFADRO C[C@@H](C[N@H+](C)[C@H]1CCN(c2sccc2-c2nn[nH]n2)C1=O)c1ccccc1 ZINC000820254686 606318116 /nfs/dbraw/zinc/31/81/16/606318116.db2.gz UWYMXJQVJVECJI-BBRMVZONSA-N 1 0 382.493 2.769 20 0 GFADRO C[C@@H](OC(=O)CC1([NH+]2CCOCC2)CCCC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000820488832 606340693 /nfs/dbraw/zinc/34/06/93/606340693.db2.gz VBKKQZBRCRWHPU-OAHLLOKOSA-N 1 0 385.468 2.506 20 0 GFADRO Cc1ccc([C@H](CNC(=O)Nc2ccc(F)cc2-c2nn[nH]n2)[NH+]2CCCC2)o1 ZINC000822230800 606346060 /nfs/dbraw/zinc/34/60/60/606346060.db2.gz QSDDUSQKTQFSBD-INIZCTEOSA-N 1 0 399.430 2.866 20 0 GFADRO O=C(NC[C@@H]1CCC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1)c1ccccc1 ZINC000823175286 606379102 /nfs/dbraw/zinc/37/91/02/606379102.db2.gz DUPRXQUTDBJZNT-INIZCTEOSA-N 1 0 376.464 2.509 20 0 GFADRO O=C(NC[C@H]1CCC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1)c1ccccc1 ZINC000823176818 606379275 /nfs/dbraw/zinc/37/92/75/606379275.db2.gz ZJACKMJSKNLTIB-QGZVFWFLSA-N 1 0 376.464 2.509 20 0 GFADRO C[NH+](C)Cc1ccnc(NC(=S)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)c1 ZINC000821588184 606392154 /nfs/dbraw/zinc/39/21/54/606392154.db2.gz GJMRUCWFDWAQEX-UHFFFAOYSA-N 1 0 388.888 2.786 20 0 GFADRO C[N@H+](CCNc1nc(C(F)(F)F)ccc1-c1nn[nH]n1)Cc1ccc(F)cc1 ZINC000821602702 606402970 /nfs/dbraw/zinc/40/29/70/606402970.db2.gz PCTLJRBLHKHNRR-UHFFFAOYSA-N 1 0 395.364 2.964 20 0 GFADRO CC(C)(C)OC(=O)N1CCC[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC000819933222 606413670 /nfs/dbraw/zinc/41/36/70/606413670.db2.gz KCTURKZRSQLHKK-GFCCVEGCSA-N 1 0 378.502 2.665 20 0 GFADRO CC(C)(C)OC(=O)NC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC000819939938 606422617 /nfs/dbraw/zinc/42/26/17/606422617.db2.gz LUDYXYULTIRKRO-AAEUAGOBSA-N 1 0 378.502 2.711 20 0 GFADRO COc1ccc([C@@H]2[C@@H](COC(=O)c3cc(-c4nn[nH]n4)cs3)CC[N@@H+]2C)cc1 ZINC000821782230 606466952 /nfs/dbraw/zinc/46/69/52/606466952.db2.gz BSRXSXSGYZHFQU-CXAGYDPISA-N 1 0 399.476 2.787 20 0 GFADRO O=C(NCc1ccccc1C[NH+]1CCCCC1)c1ccc(-c2nn[nH]n2)s1 ZINC000823261882 606498047 /nfs/dbraw/zinc/49/80/47/606498047.db2.gz VOVNZPCEMKKOLP-UHFFFAOYSA-N 1 0 382.493 2.844 20 0 GFADRO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@H+]2CCC[C@H]2C)c1-c1nn[nH]n1 ZINC000822016326 606504343 /nfs/dbraw/zinc/50/43/43/606504343.db2.gz XKIAVFAMJAFTCQ-GFCCVEGCSA-N 1 0 397.458 2.836 20 0 GFADRO O=C(c1ccc(-c2nn[nH]n2)s1)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000823483739 606545342 /nfs/dbraw/zinc/54/53/42/606545342.db2.gz LQKCQUULYIYOAE-UHFFFAOYSA-N 1 0 396.520 2.709 20 0 GFADRO C[NH+]1CCC(Nc2ccccc2NC(=O)Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000821623944 606545686 /nfs/dbraw/zinc/54/56/86/606545686.db2.gz VZCGVHCMGZYIGS-UHFFFAOYSA-N 1 0 391.479 2.554 20 0 GFADRO C[C@@H]1CC[N@H+](CCOc2ccc(NC(=O)c3cc(-c4nn[nH]n4)cs3)cc2)C1 ZINC000820722782 606546065 /nfs/dbraw/zinc/54/60/65/606546065.db2.gz OLFKDNQWIGNGAT-CYBMUJFWSA-N 1 0 398.492 2.901 20 0 GFADRO C[C@@H]([NH2+]C(C)(C)CNC(=O)Cc1cccc(-c2nn[nH]n2)c1)c1ccccc1 ZINC000820404284 606550316 /nfs/dbraw/zinc/55/03/16/606550316.db2.gz RMQMJSMONAHITG-OAHLLOKOSA-N 1 0 378.480 2.655 20 0 GFADRO C[NH+](C)CCN(Cc1cccs1)C(=O)Nc1ccc(F)c(-c2nn[nH]n2)c1 ZINC000821587213 606576108 /nfs/dbraw/zinc/57/61/08/606576108.db2.gz LTDIXSBDLFHMCO-UHFFFAOYSA-N 1 0 389.460 2.663 20 0 GFADRO C[C@@H]1CCN(C(=O)c2ccc(-c3nn[nH]n3)s2)CC[N@@H+]1Cc1ccccc1 ZINC000820717988 606579209 /nfs/dbraw/zinc/57/92/09/606579209.db2.gz ZPLRRPFUPGIERD-CQSZACIVSA-N 1 0 382.493 2.665 20 0 GFADRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1ccc(-c2nn[nH]n2)s1 ZINC000820761257 606584383 /nfs/dbraw/zinc/58/43/83/606584383.db2.gz WLSOVFIPTJCSCQ-UKRRQHHQSA-N 1 0 382.493 2.569 20 0 GFADRO Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)n1C[N@@H+]1CCS[C@@H]2CCCC[C@@H]21 ZINC000822505726 606592698 /nfs/dbraw/zinc/59/26/98/606592698.db2.gz SYSQBMWITNZGDA-DLBZAZTESA-N 1 0 396.524 2.751 20 0 GFADRO CCCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000821104633 606603650 /nfs/dbraw/zinc/60/36/50/606603650.db2.gz LDZMMLYGEQHTPN-MSOLQXFVSA-N 1 0 385.516 2.661 20 0 GFADRO Cc1cccc([C@H]([NH2+]C[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)C(C)(C)C)c1 ZINC000822288554 606618509 /nfs/dbraw/zinc/61/85/09/606618509.db2.gz BGBQIKJRBVIJAS-YOEHRIQHSA-N 1 0 380.500 2.790 20 0 GFADRO CCO[C@@H]1C[C@@H]([NH2+][C@H](C)C(=O)Nc2ccccc2-c2nn[nH]n2)C1(CC)CC ZINC000821362095 606621353 /nfs/dbraw/zinc/62/13/53/606621353.db2.gz YIUCZERHQSFXCF-KBRIMQKVSA-N 1 0 386.500 2.767 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCN(c2cccc(Cl)c2)C1=O)c1cccc(-c2nn[nH]n2)c1 ZINC000820418548 606624127 /nfs/dbraw/zinc/62/41/27/606624127.db2.gz BGJXDPHYJMKYIQ-YVEFUNNKSA-N 1 0 382.855 2.976 20 0 GFADRO C[C@@](CO)([NH2+]Cc1cccc(OCc2cccc(-c3nn[nH]n3)c2)c1)C1CC1 ZINC000820281908 606634772 /nfs/dbraw/zinc/63/47/72/606634772.db2.gz ZBHILTDVMOYWOC-NRFANRHFSA-N 1 0 379.464 2.696 20 0 GFADRO CC(C)C[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)C[C@H](O)COCc1ccccc1 ZINC000820086789 606635732 /nfs/dbraw/zinc/63/57/32/606635732.db2.gz FNBCGINZTRYILG-NRFANRHFSA-N 1 0 395.507 2.902 20 0 GFADRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)cc1F ZINC000822229616 606716327 /nfs/dbraw/zinc/71/63/27/606716327.db2.gz YAUWUHUXGJDZIK-SCLBCKFNSA-N 1 0 380.427 2.770 20 0 GFADRO c1ccc(N2CC[C@@H]([NH2+]CCSCc3ccccc3-c3nn[nH]n3)C2)cc1 ZINC000823787423 606722510 /nfs/dbraw/zinc/72/25/10/606722510.db2.gz MNFXTISNMWCXHV-QGZVFWFLSA-N 1 0 380.521 2.968 20 0 GFADRO c1ccc(N2CC[C@@H]([NH2+]C3CCN(c4ccc(-c5nn[nH]n5)cc4)CC3)C2)cc1 ZINC000823787262 606722557 /nfs/dbraw/zinc/72/25/57/606722557.db2.gz JOSQZWWMXHCFQQ-LJQANCHMSA-N 1 0 389.507 2.704 20 0 GFADRO c1nc(C2CCC2)sc1C[NH2+]C1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1 ZINC000823751303 606739968 /nfs/dbraw/zinc/73/99/68/606739968.db2.gz FFRCERXKAPXCIX-UHFFFAOYSA-N 1 0 396.524 2.744 20 0 GFADRO C[C@@H](CC[S@](C)=O)[NH2+]Cc1cccc(OCc2ccccc2-c2nn[nH]n2)c1 ZINC000820247905 606739996 /nfs/dbraw/zinc/73/99/96/606739996.db2.gz BUGLLBOIRQNMPU-HBIPHATFSA-N 1 0 399.520 2.692 20 0 GFADRO CC[C@H]([NH2+]Cc1ccc(-c2nn[nH]n2)cc1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000820925321 606742438 /nfs/dbraw/zinc/74/24/38/606742438.db2.gz GSXUGTQGQYTRKJ-LEWJYISDSA-N 1 0 392.507 2.636 20 0 GFADRO CC(C)C[C@H]1CCCC[N@@H+]1CCS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000820063549 606859581 /nfs/dbraw/zinc/85/95/81/606859581.db2.gz VWQDMPBVHOGQPG-MRXNPFEDSA-N 1 0 377.514 2.541 20 0 GFADRO C[C@H]1C[C@H](NC(=S)Nc2ccccc2-c2nn[nH]n2)C[N@@H+]1Cc1ccccc1 ZINC000820656222 606860258 /nfs/dbraw/zinc/86/02/58/606860258.db2.gz FBNCLFKKVKFAFO-HOCLYGCPSA-N 1 0 393.520 2.816 20 0 GFADRO CC(=O)Nc1cccc2c1CC[N@H+](CCCOc1cccc(-c3nn[nH]n3)c1)C2 ZINC000819826625 606886255 /nfs/dbraw/zinc/88/62/55/606886255.db2.gz MEUOJWVAIOZPKI-UHFFFAOYSA-N 1 0 392.463 2.652 20 0 GFADRO Cc1cccc(C2(O)CC[NH+](C[C@@H](O)c3ccc(-c4nn[nH]n4)cc3)CC2)c1C ZINC000822299805 606903963 /nfs/dbraw/zinc/90/39/63/606903963.db2.gz VIDFFCIHLMMVTN-HXUWFJFHSA-N 1 0 393.491 2.501 20 0 GFADRO CC[NH+](CC)CCN(Cc1ccccc1)C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821190141 606908887 /nfs/dbraw/zinc/90/88/87/606908887.db2.gz ZJPXMVIXFHECPY-OAQYLSRUSA-N 1 0 394.523 2.744 20 0 GFADRO OCC[N@H+](CCCOc1cccc(-c2nn[nH]n2)c1)[C@H]1CCc2ccccc21 ZINC000823723063 606910237 /nfs/dbraw/zinc/91/02/37/606910237.db2.gz ZUKBKGUAVQWRIK-FQEVSTJZSA-N 1 0 379.464 2.617 20 0 GFADRO O[C@@H](C[C@H]1CCCCC[N@@H+]1C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1)c1ccco1 ZINC000823681776 606912377 /nfs/dbraw/zinc/91/23/77/606912377.db2.gz KOJQPIGUWHLDSX-CEXWTWQISA-N 1 0 397.479 2.861 20 0 GFADRO O[C@H](C[C@@H]1CCC[N@@H+]1CCCOc1cccc(-c2nn[nH]n2)c1)c1ccco1 ZINC000823673320 606912511 /nfs/dbraw/zinc/91/25/11/606912511.db2.gz KSNPRQIPIFIITA-FUHWJXTLSA-N 1 0 383.452 2.817 20 0 GFADRO O[C@@H](C[N@@H+]1CCn2cccc2[C@H]1c1ccccc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823680933 606920194 /nfs/dbraw/zinc/92/01/94/606920194.db2.gz BKBRHDIEWWUHDS-LEWJYISDSA-N 1 0 386.459 2.807 20 0 GFADRO CCC[C@H]([NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1ccc(F)cc1F ZINC000821022991 606951919 /nfs/dbraw/zinc/95/19/19/606951919.db2.gz VBXMUYHXJDDNKV-BZNIZROVSA-N 1 0 388.426 2.514 20 0 GFADRO CC[N@H+](Cc1ccc(F)c(-c2nn[nH]n2)c1)[C@H]1CCN(c2ccccc2)C1=O ZINC000821222783 606972170 /nfs/dbraw/zinc/97/21/70/606972170.db2.gz ZJOFLPKWDGGGNM-SFHVURJKSA-N 1 0 380.427 2.633 20 0 GFADRO O[C@@H](C[C@@H]1CCC[N@@H+]1Cc1cn2ccccc2c1-c1nn[nH]n1)c1ccco1 ZINC000823673160 606986199 /nfs/dbraw/zinc/98/61/99/606986199.db2.gz JNCOFRQKZRUXLX-RDJZCZTQSA-N 1 0 378.436 2.801 20 0 GFADRO COc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H](C)c2cccc(-c3nn[nH]n3)c2)cc1 ZINC000821831782 607088595 /nfs/dbraw/zinc/08/85/95/607088595.db2.gz MKJDOSXKXKTUAM-KBPBESRZSA-N 1 0 380.452 2.943 20 0 GFADRO CCC1(CC)[C@H](OC)C[C@H]1[N@H+](C)Cc1nnc(-c2ccc(-c3nn[nH]n3)cc2)o1 ZINC000820958116 607106413 /nfs/dbraw/zinc/10/64/13/607106413.db2.gz RNAXXXGWIWLFJZ-HZPDHXFCSA-N 1 0 397.483 2.942 20 0 GFADRO CCC[NH+]1CCC(CNC(=O)Nc2ccc(-c3nn[nH]n3)cc2Cl)CC1 ZINC000821109576 607195599 /nfs/dbraw/zinc/19/55/99/607195599.db2.gz MHVMEMXMIZFWAF-UHFFFAOYSA-N 1 0 377.880 2.764 20 0 GFADRO C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)Nc1ccc(-c2nn[nH]n2)cc1Cl ZINC000821623862 607201840 /nfs/dbraw/zinc/20/18/40/607201840.db2.gz UQFNLNXJJZOBBZ-CABCVRRESA-N 1 0 375.864 2.611 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)Nc1ccc(-c2nn[nH]n2)cc1Cl)c1ccccc1 ZINC000821580100 607202356 /nfs/dbraw/zinc/20/23/56/607202356.db2.gz ZJTGNUFAIRUHES-INIZCTEOSA-N 1 0 385.859 2.945 20 0 GFADRO OC[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)Cc1ccccc1C(F)(F)F ZINC000823705858 607230213 /nfs/dbraw/zinc/23/02/13/607230213.db2.gz IDZJWSIEDWIWSO-LLVKDONJSA-N 1 0 397.426 2.888 20 0 GFADRO c1c(C[N@@H+]2CCO[C@@]3(CCc4ccccc43)C2)c(-c2nn[nH]n2)c2ccccn12 ZINC000826523316 607802769 /nfs/dbraw/zinc/80/27/69/607802769.db2.gz IPDQMMFAQAUXFK-QFIPXVFZSA-N 1 0 386.459 2.793 20 0 GFADRO CC[N@@H+]1CCN(C(=O)c2ccccc2-c2ccccc2-c2nn[nH]n2)C[C@H]1C ZINC000825460337 607824842 /nfs/dbraw/zinc/82/48/42/607824842.db2.gz UCZRBTJOQOORHK-OAHLLOKOSA-N 1 0 376.464 2.700 20 0 GFADRO c1ccc(CC[NH+]2CCN(c3ccc4cc(-c5nn[nH]n5)ccc4n3)CC2)cc1 ZINC000826521505 607840295 /nfs/dbraw/zinc/84/02/95/607840295.db2.gz PKWNITKNVLWUSW-UHFFFAOYSA-N 1 0 385.475 2.780 20 0 GFADRO Clc1cccc(-c2nn[nH]n2)c1N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000826352454 607849839 /nfs/dbraw/zinc/84/98/39/607849839.db2.gz BIMYZPPQLGSAHQ-AWEZNQCLSA-N 1 0 376.892 2.601 20 0 GFADRO CCO[C@@H]1C[C@@H]([N@H+](C)Cc2cccc(C(=O)OC)c2-c2nn[nH]n2)C12CCCC2 ZINC000825582608 607925083 /nfs/dbraw/zinc/92/50/83/607925083.db2.gz LYDLVJPJXXWKDI-IAGOWNOFSA-N 1 0 399.495 2.823 20 0 GFADRO C[C@@H]([NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)c1ccc(N2CCCC2=O)cc1 ZINC000824612135 607986296 /nfs/dbraw/zinc/98/62/96/607986296.db2.gz JOZJVCYFWXVGJO-CYBMUJFWSA-N 1 0 380.427 2.983 20 0 GFADRO C[N@@H+]1CC[C@@H](NC(=O)CSc2ccc(-c3nn[nH]n3)cc2)[C@@H]1c1ccccc1 ZINC000826029222 608007597 /nfs/dbraw/zinc/00/75/97/608007597.db2.gz QTFOZJOULXRCPS-MJGOQNOKSA-N 1 0 394.504 2.520 20 0 GFADRO C[N@@H+]1CC[C@H](NC(=O)CSc2ccc(-c3nn[nH]n3)cc2)[C@H]1c1ccccc1 ZINC000826029223 608007819 /nfs/dbraw/zinc/00/78/19/608007819.db2.gz QTFOZJOULXRCPS-PKOBYXMFSA-N 1 0 394.504 2.520 20 0 GFADRO CC(C)N1CC[NH+](C2CCN(c3c(Cl)cccc3-c3nn[nH]n3)CC2)CC1 ZINC000824300101 608017796 /nfs/dbraw/zinc/01/77/96/608017796.db2.gz CSHUCDDECKILGL-UHFFFAOYSA-N 1 0 389.935 2.515 20 0 GFADRO C[C@@H](CCSc1ccccc1)[N@H+](C)CCCc1[nH]nc(N)c1-c1nn[nH]n1 ZINC000824406220 608035279 /nfs/dbraw/zinc/03/52/79/608035279.db2.gz GDNKSCIXTRLUKQ-ZDUSSCGKSA-N 1 0 386.529 2.607 20 0 GFADRO C[NH+]1CCC([C@@H]2CCN(c3ccc(-c4nn[nH]n4)cc3Br)C2)CC1 ZINC000826021943 608051361 /nfs/dbraw/zinc/05/13/61/608051361.db2.gz FZZZCOBVCSKPKB-CQSZACIVSA-N 1 0 391.317 2.797 20 0 GFADRO COc1ccc(C[NH2+][C@@H]2CCCN(c3ccccc3F)C2)cc1-c1nn[nH]n1 ZINC000826203027 608100897 /nfs/dbraw/zinc/10/08/97/608100897.db2.gz WSTNXXLGFBAWBA-OAHLLOKOSA-N 1 0 382.443 2.773 20 0 GFADRO COc1cc(-c2nn[nH]n2)ccc1OCC[N@@H+]1CC[C@H](Oc2cccc(F)c2)C1 ZINC000826175620 608128456 /nfs/dbraw/zinc/12/84/56/608128456.db2.gz LCUYWDQMEIZFGB-KRWDZBQOSA-N 1 0 399.426 2.547 20 0 GFADRO CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@H]21 ZINC000824108476 608129618 /nfs/dbraw/zinc/12/96/18/608129618.db2.gz GREBUBYXPAJOKL-RCCFBDPRSA-N 1 0 398.511 2.992 20 0 GFADRO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@H]21 ZINC000824108470 608129680 /nfs/dbraw/zinc/12/96/80/608129680.db2.gz GREBUBYXPAJOKL-KZNAEPCWSA-N 1 0 398.511 2.992 20 0 GFADRO CC[N@H+](Cc1ccc(OC)cc1)[C@H]1CCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000825435118 608153393 /nfs/dbraw/zinc/15/33/93/608153393.db2.gz MPHHTSWVNXNLMC-IBGZPJMESA-N 1 0 392.463 2.503 20 0 GFADRO C[C@@H](CCc1ccc2c(c1)OCO2)[NH2+]CCOc1ccc(-c2nn[nH]n2)cc1 ZINC000824406492 608279431 /nfs/dbraw/zinc/27/94/31/608279431.db2.gz LNUUFKHEKVTBIA-AWEZNQCLSA-N 1 0 381.436 2.585 20 0 GFADRO Cc1cccc(NC[C@H]2CCN(c3nc4c(cc3-c3nn[nH]n3)CCCC4)C2)[nH+]1 ZINC000826299338 608280951 /nfs/dbraw/zinc/28/09/51/608280951.db2.gz AEKJHUUCIUGTGB-OAHLLOKOSA-N 1 0 390.495 2.782 20 0 GFADRO COCC[N@H+](C)CCCC1CCN(c2ccc(F)cc2-c2nn[nH]n2)CC1 ZINC000826158041 608303737 /nfs/dbraw/zinc/30/37/37/608303737.db2.gz XPCKCNHMCKMHGX-UHFFFAOYSA-N 1 0 376.480 2.581 20 0 GFADRO Cc1nn(-c2ccccc2)c(C[N@@H+]2CCC[C@H]([C@H]3CCOC3)C2)c1-c1nn[nH]n1 ZINC000826332465 608317276 /nfs/dbraw/zinc/31/72/76/608317276.db2.gz VJUSUYZNBISRJC-IRXDYDNUSA-N 1 0 393.495 2.609 20 0 GFADRO CC[N@H+](Cc1ccc(OC)c(OC)c1)Cc1ccc(-c2nn[nH]n2)cc1OC ZINC000825435422 608352465 /nfs/dbraw/zinc/35/24/65/608352465.db2.gz XRJFRUAJGHUXIU-UHFFFAOYSA-N 1 0 383.452 2.915 20 0 GFADRO COc1cc(-c2nn[nH]n2)ccc1C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000826169473 608358545 /nfs/dbraw/zinc/35/85/45/608358545.db2.gz TZUADQYWAWYPBW-MRXNPFEDSA-N 1 0 379.420 2.941 20 0 GFADRO O[C@H](C[N@@H+]1CCCN(c2ccccc2-c2nn[nH]n2)CC1)c1ccc(Cl)cc1 ZINC000826511026 608387960 /nfs/dbraw/zinc/38/79/60/608387960.db2.gz YIROLBWASYBHAX-LJQANCHMSA-N 1 0 398.898 2.766 20 0 GFADRO CC(C)[NH+]1CCC(NC(=O)N2CC=C(c3ccc(-c4nn[nH]n4)cc3)CC2)CC1 ZINC000824297360 608389276 /nfs/dbraw/zinc/38/92/76/608389276.db2.gz UNNCZWSMAGLTLQ-UHFFFAOYSA-N 1 0 395.511 2.538 20 0 GFADRO Cc1nnc(Nc2ccc(N3CCC([NH+](C)C)CC3)cc2)c(-c2nn[nH]n2)c1C ZINC000826336998 608415514 /nfs/dbraw/zinc/41/55/14/608415514.db2.gz XTLXWQYQKPXZGB-UHFFFAOYSA-N 1 0 393.499 2.548 20 0 GFADRO CC(C)Oc1ccc([C@@H](C)[NH2+]CC(=O)NCc2cccc(-c3nn[nH]n3)c2)cc1 ZINC000824323922 608438005 /nfs/dbraw/zinc/43/80/05/608438005.db2.gz DBTGQXLMYLHHPM-OAHLLOKOSA-N 1 0 394.479 2.621 20 0 GFADRO CC(C)Oc1cccc([C@@H](C)[NH2+]CC(=O)NCc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000824333826 608454159 /nfs/dbraw/zinc/45/41/59/608454159.db2.gz NLWSJZCGQZURJI-OAHLLOKOSA-N 1 0 394.479 2.621 20 0 GFADRO C[C@H]([NH2+]CC(=O)Nc1nc(-c2ccco2)cs1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824562226 608465221 /nfs/dbraw/zinc/46/52/21/608465221.db2.gz CZGAYGBZBOIENG-NSHDSACASA-N 1 0 395.448 2.873 20 0 GFADRO CCc1ccc(CN(C)C(=O)C[NH2+][C@@H](C)c2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000825711541 608465697 /nfs/dbraw/zinc/46/56/97/608465697.db2.gz FFSWMGOCEAGOGH-HNNXBMFYSA-N 1 0 378.480 2.738 20 0 GFADRO CC(C)C(=O)NCC[N@H+](C)Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000824185266 608467659 /nfs/dbraw/zinc/46/76/59/608467659.db2.gz TUBAKIVISVHAGF-UHFFFAOYSA-N 1 0 378.480 2.738 20 0 GFADRO C[C@H]([NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)c1ccc(N2CCOC2=O)cc1 ZINC000824612997 608474515 /nfs/dbraw/zinc/47/45/15/608474515.db2.gz QSPHYBBDUVLQDI-LBPRGKRZSA-N 1 0 382.399 2.813 20 0 GFADRO C[C@H]([NH2+]C[C@@H](O)COCc1ccc(Cl)cc1)c1cccc(-c2nn[nH]n2)c1 ZINC000824570563 608484741 /nfs/dbraw/zinc/48/47/41/608484741.db2.gz NEUTYKDMIQUVFJ-SCLBCKFNSA-N 1 0 387.871 2.748 20 0 GFADRO CCCOc1cccc(CNC(=O)C[NH2+][C@@H](C)c2cccc(-c3nn[nH]n3)c2)c1 ZINC000825341731 608494083 /nfs/dbraw/zinc/49/40/83/608494083.db2.gz JGNUNRUKXHVRIG-HNNXBMFYSA-N 1 0 394.479 2.623 20 0 GFADRO O=C(NCC[NH2+][C@@H]1CCCc2cc(-c3nn[nH]n3)ccc21)c1c(F)cccc1F ZINC000826437662 608520598 /nfs/dbraw/zinc/52/05/98/608520598.db2.gz WJYQWUDBCUBJQN-QGZVFWFLSA-N 1 0 398.417 2.542 20 0 GFADRO O=C(CC[NH2+][C@@H](c1ccccc1)[C@H]1CCOC1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000826407183 608526923 /nfs/dbraw/zinc/52/69/23/608526923.db2.gz DUTDRDFLTDFWOH-PXNSSMCTSA-N 1 0 392.463 2.563 20 0 GFADRO COc1cc(-c2nn[nH]n2)ccc1OCC[NH2+][C@@H](c1ccccc1)[C@H]1CCOC1 ZINC000826176478 608527936 /nfs/dbraw/zinc/52/79/36/608527936.db2.gz QRXWLDZSMONVQV-PXNSSMCTSA-N 1 0 395.463 2.622 20 0 GFADRO Cc1cccc(C)c1OC[C@@H](O)C[NH2+]C1(c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000826296533 608530767 /nfs/dbraw/zinc/53/07/67/608530767.db2.gz AKHGLFKBZFPXEH-SFHVURJKSA-N 1 0 379.464 2.502 20 0 GFADRO Cc1cccc([C@H](C)[NH2+]CCS(=O)(=O)c2cccc(-c3nn[nH]n3)c2)c1C ZINC000826296215 608533934 /nfs/dbraw/zinc/53/39/34/608533934.db2.gz NLLXPZGTXFHRJF-HNNXBMFYSA-N 1 0 385.493 2.608 20 0 GFADRO CC[C@@H]1Oc2cc([C@H](C)[NH2+]Cc3ccc(F)cc3-c3nn[nH]n3)ccc2NC1=O ZINC000825219286 608538274 /nfs/dbraw/zinc/53/82/74/608538274.db2.gz IXGYXNWXIYPGLC-GTNSWQLSSA-N 1 0 396.426 2.966 20 0 GFADRO C[NH+](C)C1CCN(c2ccc(NC(=O)c3cc(-c4nn[nH]n4)cs3)cc2)CC1 ZINC000825856554 608546756 /nfs/dbraw/zinc/54/67/56/608546756.db2.gz WVBXVFZHEAJOMP-UHFFFAOYSA-N 1 0 397.508 2.711 20 0 GFADRO CC(C)([NH2+]CC(=O)Nc1sccc1-c1nn[nH]n1)c1ccc(F)c(F)c1 ZINC000824168028 608550689 /nfs/dbraw/zinc/55/06/89/608550689.db2.gz WWNILQXRYJMHKS-UHFFFAOYSA-N 1 0 378.408 2.670 20 0 GFADRO COc1cccc(C2([NH2+]CC(=O)Nc3cc(Cl)ccc3-c3nn[nH]n3)CC2)c1 ZINC000826215504 608550944 /nfs/dbraw/zinc/55/09/44/608550944.db2.gz QIASBLSHLHHAPX-UHFFFAOYSA-N 1 0 398.854 2.746 20 0 GFADRO C[C@@H](CCc1ccccc1)C[NH+]1CCN(c2cc(-c3nn[nH]n3)ccn2)CC1 ZINC000824406528 608580396 /nfs/dbraw/zinc/58/03/96/608580396.db2.gz MFRPOJINAFGSLU-KRWDZBQOSA-N 1 0 377.496 2.653 20 0 GFADRO CCC[C@@H](C[NH+]1CCN(c2cc(-c3nn[nH]n3)ccn2)CC1)c1ccccc1 ZINC000825241891 608580951 /nfs/dbraw/zinc/58/09/51/608580951.db2.gz CMONURFQFGETLZ-IBGZPJMESA-N 1 0 377.496 2.968 20 0 GFADRO COc1ccc([C@@H](C)C[NH+]2CCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)cc1 ZINC000826187658 608581355 /nfs/dbraw/zinc/58/13/55/608581355.db2.gz ATSPQKAIXYKAAP-KRWDZBQOSA-N 1 0 392.507 2.797 20 0 GFADRO C[C@@H]1CN(C(=O)c2cccc(Oc3ccc(-c4nn[nH]n4)cc3)c2)[C@@H](C)C[N@@H+]1C ZINC000824974707 608597392 /nfs/dbraw/zinc/59/73/92/608597392.db2.gz DHLOLGFIBNFXPM-CABCVRRESA-N 1 0 392.463 2.824 20 0 GFADRO Cc1ccccc1OCCC[N@@H+](C)Cc1cnc2ccc(-c3nn[nH]n3)cn12 ZINC000826307453 608612792 /nfs/dbraw/zinc/61/27/92/608612792.db2.gz JABSNURJRKSOBO-UHFFFAOYSA-N 1 0 377.452 2.724 20 0 GFADRO Cc1cc(C(=O)NC2CC[NH+](Cc3cccc(-c4nn[nH]n4)c3F)CC2)c(C)o1 ZINC000826259216 608647902 /nfs/dbraw/zinc/64/79/02/608647902.db2.gz LEMLLDPIAIVXQW-UHFFFAOYSA-N 1 0 398.442 2.610 20 0 GFADRO COc1ccsc1C[NH+]1CCC(C(=O)Nc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000826221614 608660588 /nfs/dbraw/zinc/66/05/88/608660588.db2.gz MUDTVEAQNBOHCU-UHFFFAOYSA-N 1 0 398.492 2.788 20 0 GFADRO C[C@@H]1CC[C@@H](C(F)(F)F)C[N@@H+]1CCC(=O)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000824910885 609149116 /nfs/dbraw/zinc/14/91/16/609149116.db2.gz ZBBUEPAZHPIYLT-DGCLKSJQSA-N 1 0 382.390 2.858 20 0 GFADRO COCC[C@H]([NH2+]C1CCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1)c1ccco1 ZINC000826154190 609167877 /nfs/dbraw/zinc/16/78/77/609167877.db2.gz KHFFPRQSMCWLFC-IBGZPJMESA-N 1 0 396.495 2.792 20 0 GFADRO C[C@@H](Cc1ccsc1)[NH2+][C@@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000824466349 609168748 /nfs/dbraw/zinc/16/87/48/609168748.db2.gz WKKDEWKDOUUGPU-SUMWQHHRSA-N 1 0 382.493 2.644 20 0 GFADRO FC(F)Oc1cc(-c2nn[nH]n2)ccc1C[N@@H+]1CCC[C@H]1C1CCOCC1 ZINC000826369753 609283671 /nfs/dbraw/zinc/28/36/71/609283671.db2.gz PFHUFEFXPYWONB-HNNXBMFYSA-N 1 0 379.411 2.859 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)c1ccc(Cl)c(-c2nn[nH]n2)c1)c1cccc(F)c1 ZINC000825848432 609286629 /nfs/dbraw/zinc/28/66/29/609286629.db2.gz CRHBTNAKCKLRQS-INIZCTEOSA-N 1 0 388.834 2.692 20 0 GFADRO C[NH+](C)C1(CNC(=O)c2ccc(Cl)c(-c3nn[nH]n3)c2)CCCCCC1 ZINC000825849281 609286911 /nfs/dbraw/zinc/28/69/11/609286911.db2.gz JLUHUHQBDAWYAK-UHFFFAOYSA-N 1 0 376.892 2.905 20 0 GFADRO CC1CC[NH+](CCCCNC(=O)c2ccc(Cl)c(-c3nn[nH]n3)c2)CC1 ZINC000824954507 609288589 /nfs/dbraw/zinc/28/85/89/609288589.db2.gz KSDRLZSDSZVONO-UHFFFAOYSA-N 1 0 376.892 2.762 20 0 GFADRO CC[NH+](CC)[C@H](CNC(=O)c1ccc(Cl)c(-c2nn[nH]n2)c1)c1ccco1 ZINC000825405502 609289624 /nfs/dbraw/zinc/28/96/24/609289624.db2.gz CAMWTWLYXLFQMV-OAHLLOKOSA-N 1 0 388.859 2.926 20 0 GFADRO Cc1ccc(CN(CC[NH+](C)C)C(=O)c2ccc(Cl)c(-c3nn[nH]n3)c2)o1 ZINC000826288266 609298965 /nfs/dbraw/zinc/29/89/65/609298965.db2.gz YKNAYVJKWVMJKA-UHFFFAOYSA-N 1 0 388.859 2.626 20 0 GFADRO C[C@@H]([NH2+]C1CCN(C(=O)c2ccccc2)CC1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824545420 609330245 /nfs/dbraw/zinc/33/02/45/609330245.db2.gz CLGBMWURDOVDHT-CQSZACIVSA-N 1 0 394.454 2.961 20 0 GFADRO Cc1ccc(OCC[NH2+]Cc2cn(C)nc2-c2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000826292522 609335431 /nfs/dbraw/zinc/33/54/31/609335431.db2.gz YBSQIRDKPCVPPW-UHFFFAOYSA-N 1 0 389.463 2.744 20 0 GFADRO C[C@H]([NH2+][C@H](CNC(=O)OC(C)(C)C)C1CC1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824532531 609336793 /nfs/dbraw/zinc/33/67/93/609336793.db2.gz VQIZTRMSCACURL-MEDUHNTESA-N 1 0 390.463 2.960 20 0 GFADRO C[C@H]([NH2+]CCc1cccc(C(=O)N(C)C)c1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824605563 609337117 /nfs/dbraw/zinc/33/71/17/609337117.db2.gz KFURGEURYWVRFY-ZDUSSCGKSA-N 1 0 382.443 2.601 20 0 GFADRO Cn1cc(C[NH2+]CCc2c(F)cccc2F)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826361659 609337512 /nfs/dbraw/zinc/33/75/12/609337512.db2.gz HTUBDKPZJBOWHK-UHFFFAOYSA-N 1 0 395.417 2.878 20 0 GFADRO Cc1nc(C)c(CC[NH2+]Cc2cn(C)nc2-c2ccc(-c3nn[nH]n3)cc2)s1 ZINC000826324336 609338093 /nfs/dbraw/zinc/33/80/93/609338093.db2.gz NAQFROPBKYLKLJ-UHFFFAOYSA-N 1 0 394.508 2.673 20 0 GFADRO CC[C@H]1CCCC[N@@H+]1CCNCc1cn(C)nc1-c1ccc(-c2nn[nH]n2)cc1 ZINC000825195009 609339746 /nfs/dbraw/zinc/33/97/46/609339746.db2.gz UPAZNVUIPWMZIW-IBGZPJMESA-N 1 0 394.527 2.621 20 0 GFADRO C[C@H]([NH2+]CCc1nc2cc(F)ccc2n1C)c1ccc(-c2nn[nH]n2)cc1F ZINC000824605788 609342990 /nfs/dbraw/zinc/34/29/90/609342990.db2.gz LKIVMMGSVRWWNA-NSHDSACASA-N 1 0 383.406 2.925 20 0 GFADRO Cn1cc(C[NH2+]CCC[C@@H]2CCCC[C@H]2O)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826361935 609343498 /nfs/dbraw/zinc/34/34/98/609343498.db2.gz WQRWIKLVMLIMDT-HNAYVOBHSA-N 1 0 395.511 2.688 20 0 GFADRO C[C@@H]([NH2+]C[C@H](NC(=O)OC(C)(C)C)C1CC1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824570259 609345140 /nfs/dbraw/zinc/34/51/40/609345140.db2.gz MORLDWFETDZTRE-BZNIZROVSA-N 1 0 390.463 2.960 20 0 GFADRO Cc1ccc(-c2nn[nH]n2)cc1NC(=O)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000826277850 609354178 /nfs/dbraw/zinc/35/41/78/609354178.db2.gz JPHYJUDODXUIKD-HOCLYGCPSA-N 1 0 383.500 2.950 20 0 GFADRO Cc1c(NC(=O)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cccc1-c1nn[nH]n1 ZINC000826242048 609354578 /nfs/dbraw/zinc/35/45/78/609354578.db2.gz XUSYDFVPAYSQII-HUUCEWRRSA-N 1 0 383.500 2.950 20 0 GFADRO OCC[C@@H]([NH2+]Cc1ccccc1-c1nn[nH]n1)c1ccccc1Br ZINC000826509294 609384223 /nfs/dbraw/zinc/38/42/23/609384223.db2.gz RBLLOUPTWJXUEB-MRXNPFEDSA-N 1 0 388.269 2.843 20 0 GFADRO CC[C@H]([NH2+][C@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O)c1c(C)noc1C ZINC000825139061 609416895 /nfs/dbraw/zinc/41/68/95/609416895.db2.gz AYDLGAKOTJYXMW-IRXDYDNUSA-N 1 0 395.467 2.708 20 0 GFADRO Cc1cc(C[NH2+][C@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)c(C)s1 ZINC000826267048 609417329 /nfs/dbraw/zinc/41/73/29/609417329.db2.gz NBIMWJSHTQZYBD-KRWDZBQOSA-N 1 0 382.493 2.830 20 0 GFADRO Cc1cc(-c2nn[nH]n2)ccc1C(=O)N[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000826246107 609457322 /nfs/dbraw/zinc/45/73/22/609457322.db2.gz RQMFJSHFXIGLKA-APWZRJJASA-N 1 0 390.491 2.816 20 0 GFADRO Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)n1C[N@H+]1C[C@H](C)[C@@H]2CCCC[C@H]21 ZINC000826334923 609462401 /nfs/dbraw/zinc/46/24/01/609462401.db2.gz PKLHOSGHZVMJLQ-DOPJRALCSA-N 1 0 378.484 2.902 20 0 GFADRO Cc1c(Cl)cnc(N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1-c1nn[nH]n1 ZINC000826237563 609550282 /nfs/dbraw/zinc/55/02/82/609550282.db2.gz DKWAAOMIJHIXCE-CYBMUJFWSA-N 1 0 383.887 2.934 20 0 GFADRO Cc1ccnc(NCC2([NH2+][C@@H](C)c3ccccc3)CCOCC2)c1-c1nn[nH]n1 ZINC000826313806 609554912 /nfs/dbraw/zinc/55/49/12/609554912.db2.gz UNWXLDDCBQHTNA-INIZCTEOSA-N 1 0 393.495 2.882 20 0 GFADRO c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H](Nc4ccc(-c5nn[nH]n5)nc4)[C@H]3C2)cc1 ZINC000826521691 609595268 /nfs/dbraw/zinc/59/52/68/609595268.db2.gz VTPNXQRJKOUNBM-WDSOQIARSA-N 1 0 375.480 2.974 20 0 GFADRO O=C1[C@@H]([NH2+]Cc2cnc3ccccc3c2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476809 609600779 /nfs/dbraw/zinc/60/07/79/609600779.db2.gz PPQYMLRAORDNFX-FQEVSTJZSA-N 1 0 399.458 2.700 20 0 GFADRO O=C1[C@@H]([NH2+]C/C=C/c2ccc(F)cc2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826477047 609600820 /nfs/dbraw/zinc/60/08/20/609600820.db2.gz USVAHYURBDFWPZ-UJXFUWLCSA-N 1 0 392.438 2.804 20 0 GFADRO C[NH+](C)CCn1ccc(NC(=O)[C@@H]2C[C@@H]2c2ccc(Br)cc2)n1 ZINC000523071052 650631748 /nfs/dbraw/zinc/63/17/48/650631748.db2.gz KOCINLSLPDJTSA-HUUCEWRRSA-N 1 0 377.286 2.949 20 0 GFADRO Brc1cncnc1NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000481694054 650651501 /nfs/dbraw/zinc/65/15/01/650651501.db2.gz RZILDKKGWCQKHD-UHFFFAOYSA-N 1 0 376.302 2.863 20 0 GFADRO COC(=O)/C=C1\SCC(=O)N1CCC[N@@H+]1CCC[C@H](CC(F)(F)F)C1 ZINC000817281637 660188921 /nfs/dbraw/zinc/18/89/21/660188921.db2.gz NNEFWGDKXOCSPT-UGMNDJHYSA-N 1 0 380.432 2.631 20 0 GFADRO COC1([C@@H](C)[NH2+]Cc2ccccc2I)CCOCC1 ZINC000817420564 660194930 /nfs/dbraw/zinc/19/49/30/660194930.db2.gz VVSZHUSEIBBFEF-GFCCVEGCSA-N 1 0 375.250 2.965 20 0 GFADRO [NH3+][C@@H]1CCCO[C@H]1C1CCN(C(=O)/C=C\c2ccc(Br)o2)CC1 ZINC000818011068 660213367 /nfs/dbraw/zinc/21/33/67/660213367.db2.gz UUMPORCQLUBPLE-XEBWUTKYSA-N 1 0 383.286 2.800 20 0 GFADRO CN(C[C@@H](O)C[NH2+]Cc1cc(F)ccc1Br)C(=O)OC(C)(C)C ZINC000818164953 660218141 /nfs/dbraw/zinc/21/81/41/660218141.db2.gz CFOCXYDPANCHAO-ZDUSSCGKSA-N 1 0 391.281 2.906 20 0 GFADRO CN(C[C@H](O)C[NH2+]Cc1ccc(F)cc1Br)C(=O)OC(C)(C)C ZINC000818166220 660218156 /nfs/dbraw/zinc/21/81/56/660218156.db2.gz GCVHLWAKVLUMLZ-CYBMUJFWSA-N 1 0 391.281 2.906 20 0 GFADRO COc1cc(C(=O)NCc2ccc(CC[NH3+])cc2)cc(OC)c1Br ZINC000818534463 660228010 /nfs/dbraw/zinc/22/80/10/660228010.db2.gz FTFARGZBZOXTPQ-UHFFFAOYSA-N 1 0 393.281 2.898 20 0 GFADRO Cn1ccnc1[C@](O)(CC[NH2+]C[C@H](O)c1cccc(Cl)c1)C(F)(F)F ZINC000818969340 660239271 /nfs/dbraw/zinc/23/92/71/660239271.db2.gz DBZZITQYANWAEG-DZGCQCFKSA-N 1 0 377.794 2.537 20 0 GFADRO CC[C@H](C)NC(=O)CC[NH2+]C[C@](C)(O)c1ccc(Br)cc1F ZINC000818966056 660239065 /nfs/dbraw/zinc/23/90/65/660239065.db2.gz YLKADVZPAJAYQP-ZBEGNZNMSA-N 1 0 375.282 2.690 20 0 GFADRO O=S(=O)(CC[NH2+]C[C@@H](O)c1ccc(Br)cc1)Cc1ccccc1 ZINC000818976746 660240023 /nfs/dbraw/zinc/24/00/23/660240023.db2.gz NSNWNKYYMPHAGK-QGZVFWFLSA-N 1 0 398.322 2.687 20 0 GFADRO O=C1[C@H]([NH2+]C[C@H](O)c2ccccc2Br)CCN1Cc1ccccc1 ZINC000818984052 660241247 /nfs/dbraw/zinc/24/12/47/660241247.db2.gz VHUJHHMWUXFDLZ-MSOLQXFVSA-N 1 0 389.293 2.873 20 0 GFADRO O=C1[C@H]([NH2+]C[C@@H](O)c2ccccc2Br)CCN1Cc1ccccc1 ZINC000818984053 660241323 /nfs/dbraw/zinc/24/13/23/660241323.db2.gz VHUJHHMWUXFDLZ-QZTJIDSGSA-N 1 0 389.293 2.873 20 0 GFADRO CC(C)(C)C(=O)NCC[NH2+]C[C@](C)(O)c1ccc(Br)cc1F ZINC000818988559 660241901 /nfs/dbraw/zinc/24/19/01/660241901.db2.gz BRRQGFCACYWNKU-INIZCTEOSA-N 1 0 375.282 2.548 20 0 GFADRO CN(CCc1ccccn1)C(=O)C[NH2+]C[C@H](O)c1ccc(Cl)cc1Cl ZINC000819008996 660243129 /nfs/dbraw/zinc/24/31/29/660243129.db2.gz DQBCWCDGXYNIGY-KRWDZBQOSA-N 1 0 382.291 2.713 20 0 GFADRO C[NH+](C)CCNC(=S)Nc1ccc(Cl)c(I)c1 ZINC000819028677 660244109 /nfs/dbraw/zinc/24/41/09/660244109.db2.gz DPODWWZLXWMCFR-UHFFFAOYSA-N 1 0 383.686 2.793 20 0 GFADRO CCS(=O)(=O)CC[NH2+]C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000819041969 660244359 /nfs/dbraw/zinc/24/43/59/660244359.db2.gz KCNHHGQOGYYPJL-UHFFFAOYSA-N 1 0 379.353 2.982 20 0 GFADRO CN(c1ccc(C[NH2+]C[C@@H](O)c2ccc(F)cc2Cl)cc1)S(C)(=O)=O ZINC000819052423 660244442 /nfs/dbraw/zinc/24/44/42/660244442.db2.gz GJGQBQIKJBIMCC-QGZVFWFLSA-N 1 0 386.876 2.698 20 0 GFADRO CC1(C)OCC([NH2+]C[C@H](O)COc2ccc(Cl)cc2Br)CO1 ZINC000819226544 660250917 /nfs/dbraw/zinc/25/09/17/660250917.db2.gz SWTFPNOZESLGGT-LBPRGKRZSA-N 1 0 394.693 2.583 20 0 GFADRO CNC(=O)C(C)(C)C[NH2+]C[C@](C)(O)c1ccc(Br)cc1Cl ZINC000819180737 660249027 /nfs/dbraw/zinc/24/90/27/660249027.db2.gz XDMAFMJBXBUIQN-HNNXBMFYSA-N 1 0 377.710 2.672 20 0 GFADRO O=C1NCCc2ccc(C[NH2+]C[C@@H](O)c3ccccc3Br)cc21 ZINC000819230439 660251236 /nfs/dbraw/zinc/25/12/36/660251236.db2.gz YLWUQNHHOFEWOZ-QGZVFWFLSA-N 1 0 375.266 2.558 20 0 GFADRO COCCn1cc2c(n1)[C@@H]([NH2+]C[C@H](O)c1cccc(Br)c1)CCC2 ZINC000819220810 660250587 /nfs/dbraw/zinc/25/05/87/660250587.db2.gz TXKFFTGYJVZYGM-IRXDYDNUSA-N 1 0 394.313 2.993 20 0 GFADRO CC(C)(C)OC(=O)N1CCC[C@](C)(C[NH2+]CCS(=O)(=O)C(C)(C)C)C1 ZINC000819225054 660250733 /nfs/dbraw/zinc/25/07/33/660250733.db2.gz SSATWHNZAJGRDQ-GOSISDBHSA-N 1 0 376.563 2.827 20 0 GFADRO Cc1cc(Br)cc(C)c1N1CCC[C@@H]([NH2+]C[C@@H](O)C2CC2)C1=O ZINC000819309684 660254476 /nfs/dbraw/zinc/25/44/76/660254476.db2.gz PHZYQRYCFJWDLU-HZPDHXFCSA-N 1 0 381.314 2.922 20 0 GFADRO CCN1C[C@@H]([NH2+]C[C@@](C)(O)c2ccc(Br)cc2Cl)CC1=O ZINC000819348343 660256223 /nfs/dbraw/zinc/25/62/23/660256223.db2.gz CDFINWWEXDMGKG-XHDPSFHLSA-N 1 0 375.694 2.520 20 0 GFADRO CC(C)(C)OC(=O)NC[C@@](C)(O)C[NH2+]CCc1cccc(Br)c1 ZINC000819358973 660256577 /nfs/dbraw/zinc/25/65/77/660256577.db2.gz BEBORLFEXXNGSF-KRWDZBQOSA-N 1 0 387.318 2.857 20 0 GFADRO CC1(C)CC(NC(=O)c2csc(I)n2)CC(C)(C)[NH2+]1 ZINC000820445075 660293692 /nfs/dbraw/zinc/29/36/92/660293692.db2.gz CTYCOJMYJQXRBK-UHFFFAOYSA-N 1 0 393.294 2.787 20 0 GFADRO C[NH+](C)CCn1ccc(NC(=O)NC[C@@H](O)c2ccc(Cl)c(Cl)c2)n1 ZINC000821340773 660322141 /nfs/dbraw/zinc/32/21/41/660322141.db2.gz DBZNJYNMJFEOLB-CQSZACIVSA-N 1 0 386.283 2.607 20 0 GFADRO CCn1ncc(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)c1Br ZINC000821969557 660337504 /nfs/dbraw/zinc/33/75/04/660337504.db2.gz ZVTIHIDYZPZAHN-CZUORRHYSA-N 1 0 391.313 2.916 20 0 GFADRO C[C@@]1(C(=O)NC2CC[NH+](CC3CC3)CC2)CC1(Br)Br ZINC000822712823 660352412 /nfs/dbraw/zinc/35/24/12/660352412.db2.gz HTZRZMJVALVPSL-ZDUSSCGKSA-N 1 0 394.151 2.873 20 0 GFADRO C[NH+]1CCN(c2ccc(Br)cc2NC(=O)/C=C/[C@H]2CCOC2)CC1 ZINC000822809035 660354950 /nfs/dbraw/zinc/35/49/50/660354950.db2.gz NDBUNPYZXMGKPJ-IWZWCOEHSA-N 1 0 394.313 2.732 20 0 GFADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1cc2c(ccc(F)c2Br)[nH]1 ZINC000822879461 660356512 /nfs/dbraw/zinc/35/65/12/660356512.db2.gz UBDUCQWYKWKBQT-GHMZBOCLSA-N 1 0 396.260 2.663 20 0 GFADRO C[C@@H]1[NH2+]CC[C@H]1c1nc(Cc2cc(Br)c3c(c2)OCCO3)no1 ZINC000822947315 660358721 /nfs/dbraw/zinc/35/87/21/660358721.db2.gz QSKRAPNIWQZJOO-GXSJLCMTSA-N 1 0 380.242 2.660 20 0 GFADRO [NH3+]CCCn1cc(-c2nc(CCCc3ccccc3Br)no2)nn1 ZINC000822991997 660359538 /nfs/dbraw/zinc/35/95/38/660359538.db2.gz RVEQEMZTCNWWJM-UHFFFAOYSA-N 1 0 391.273 2.615 20 0 GFADRO COc1nc(-c2noc([C@@H]3C[C@@H]4CCCC[C@H]4[NH2+]3)n2)ncc1Br ZINC000823015960 660359841 /nfs/dbraw/zinc/35/98/41/660359841.db2.gz NDDUOKHJTSZMHA-GDPRMGEGSA-N 1 0 380.246 2.891 20 0 GFADRO O=C(Nc1cccc(C[N@H+]2CC[C@H](O)C2)c1)c1csc(Br)n1 ZINC000823064553 660360822 /nfs/dbraw/zinc/36/08/22/660360822.db2.gz YVWSEZRXLNVEMS-LBPRGKRZSA-N 1 0 382.283 2.725 20 0 GFADRO Ic1cnc2c(-c3noc([C@@H]4CCCC[NH2+]4)n3)cccn12 ZINC000823115986 660362191 /nfs/dbraw/zinc/36/21/91/660362191.db2.gz OKLAPXWWAJTDEI-JTQLQIEISA-N 1 0 395.204 2.804 20 0 GFADRO CO[C@H](C[NH3+])Cc1nc(-c2cc(Br)sc2Br)no1 ZINC000823140620 660362920 /nfs/dbraw/zinc/36/29/20/660362920.db2.gz KHZOKWKDDRBPGO-YFKPBYRVSA-N 1 0 397.092 2.839 20 0 GFADRO Ic1ccc(OCc2noc([C@@H]3C[C@@]34CC[NH2+]C4)n2)cc1 ZINC000823167999 660363765 /nfs/dbraw/zinc/36/37/65/660363765.db2.gz PGGSKWKOQBFHQL-SWLSCSKDSA-N 1 0 397.216 2.720 20 0 GFADRO Ic1ccc(OCc2noc([C@@H]3C[C@H]4C[C@H]4[NH2+]3)n2)cc1 ZINC000823168003 660363808 /nfs/dbraw/zinc/36/38/08/660363808.db2.gz PKQVFPAQYHWYRR-FXAINCCUSA-N 1 0 383.189 2.676 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)c2ccc3c(Br)cnn3c2)C1 ZINC000824651478 660398709 /nfs/dbraw/zinc/39/87/09/660398709.db2.gz FINMJDNLKJRZQN-LBPRGKRZSA-N 1 0 379.302 2.947 20 0 GFADRO CC(C)(Oc1ccc(Br)cc1)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000824731960 660400206 /nfs/dbraw/zinc/40/02/06/660400206.db2.gz AQBJBCCIBJWVPL-GOEBONIOSA-N 1 0 397.313 2.586 20 0 GFADRO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)c1cc(Br)cnc1C1CC1 ZINC000824826918 660403028 /nfs/dbraw/zinc/40/30/28/660403028.db2.gz TZLOXZOKCZHQSX-ZDUSSCGKSA-N 1 0 397.361 2.723 20 0 GFADRO C[C@]1(NC(=O)c2cc(Br)c3nccnc3c2)C[NH+]2CCC1CC2 ZINC000824895197 660404191 /nfs/dbraw/zinc/40/41/91/660404191.db2.gz RXXLUJJOWPTBMA-KRWDZBQOSA-N 1 0 375.270 2.606 20 0 GFADRO CC[NH+](CC)[C@H](CNC(=O)c1cc(Br)n(C)n1)Cc1ccccc1 ZINC000824921357 660405116 /nfs/dbraw/zinc/40/51/16/660405116.db2.gz KMTAJRTYFFPBIJ-HNNXBMFYSA-N 1 0 393.329 2.866 20 0 GFADRO C[C@H]1CCC[N@H+](CCCCNC(=O)c2c(Br)nc3n2CCC3)C1 ZINC000825110796 660411302 /nfs/dbraw/zinc/41/13/02/660411302.db2.gz IYEXUQFKMULNHL-ZDUSSCGKSA-N 1 0 383.334 2.834 20 0 GFADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1CNc1ccc2c([nH+]1)CCC2 ZINC000825124347 660411696 /nfs/dbraw/zinc/41/16/96/660411696.db2.gz NWDXFDXGCXQOLN-CYBMUJFWSA-N 1 0 380.901 2.700 20 0 GFADRO C[C@@H](O)c1ncc(CNc2cc(N3CCOCC3)c(Br)c[nH+]2)s1 ZINC000825311517 660420117 /nfs/dbraw/zinc/42/01/17/660420117.db2.gz KRYQQNBCENCVLN-SNVBAGLBSA-N 1 0 399.314 2.803 20 0 GFADRO CC[N@H+](CCNC(=O)NCc1cc(OC)c(O)cc1Br)C(C)C ZINC000826097877 660449827 /nfs/dbraw/zinc/44/98/27/660449827.db2.gz NEOZSWSEMOSARI-UHFFFAOYSA-N 1 0 388.306 2.693 20 0 GFADRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)c1c(Cl)nc2cc(Cl)ccn21 ZINC000826539819 660456315 /nfs/dbraw/zinc/45/63/15/660456315.db2.gz ZKSMCCLNHRRCRG-CYBMUJFWSA-N 1 0 385.295 2.824 20 0 GFADRO CO[C@@H]1CCC[C@@H]([C@@H](CO)[NH2+]Cc2nc3ccccn3c2Br)C1 ZINC000826901955 660471027 /nfs/dbraw/zinc/47/10/27/660471027.db2.gz FLBNLZRQRVCGRS-UMVBOHGHSA-N 1 0 382.302 2.753 20 0 GFADRO C[N@@H+]1CCCC[C@@H](CNC(=O)C[C@@H]2C(=O)Nc3c2cccc3Br)C1 ZINC000827193558 660483117 /nfs/dbraw/zinc/48/31/17/660483117.db2.gz XZWALDSLMVVYBJ-JSGCOSHPSA-N 1 0 394.313 2.723 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3[C@@H]4Cc5cc(Br)ccc5[C@@H]43)CC[C@H]21 ZINC000827221461 660485025 /nfs/dbraw/zinc/48/50/25/660485025.db2.gz XECZXJWZPBERSO-VGLCKJCNSA-N 1 0 375.310 2.887 20 0 GFADRO C[N@@H+]1CC[C@H]2CN(C(=O)c3ccn(-c4cccc(Br)c4)n3)CC[C@H]21 ZINC000827322471 660489060 /nfs/dbraw/zinc/48/90/60/660489060.db2.gz ZWXSLDMVDCSYOF-SUMWQHHRSA-N 1 0 389.297 2.801 20 0 GFADRO Cc1ccc(C(=O)N2CC[C@@H]3[C@H](CC[N@H+]3C)C2)cc1I ZINC000827330210 660489693 /nfs/dbraw/zinc/48/96/93/660489693.db2.gz KXAUJBUMCWNMKD-UKRRQHHQSA-N 1 0 384.261 2.766 20 0 GFADRO COc1cc(/C=C\C(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)cc(Br)c1O ZINC000827348031 660490624 /nfs/dbraw/zinc/49/06/24/660490624.db2.gz ZIDWGPMYIDRHOI-SQLJOLKNSA-N 1 0 395.297 2.729 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc(=O)c4cc(Br)ccc4o3)CC[C@H]21 ZINC000827244726 660485927 /nfs/dbraw/zinc/48/59/27/660485927.db2.gz CIBBEUSECGYOAV-BXUZGUMPSA-N 1 0 391.265 2.722 20 0 GFADRO CN1CC[NH+](C2CCN(C(=O)CCc3cccc(Br)c3)CC2)CC1 ZINC000827474117 660498516 /nfs/dbraw/zinc/49/85/16/660498516.db2.gz SMNJVHZXZZBDID-UHFFFAOYSA-N 1 0 394.357 2.620 20 0 GFADRO C[NH+](C)CC1CCN(C(=O)c2ccc(C(F)(F)Br)nc2)CC1 ZINC000827506440 660499706 /nfs/dbraw/zinc/49/97/06/660499706.db2.gz GZQYGOHRYXTNPE-UHFFFAOYSA-N 1 0 376.245 2.940 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC000827501537 660499725 /nfs/dbraw/zinc/49/97/25/660499725.db2.gz VSVAYIOMBZFFRU-VZEFYGNVSA-N 1 0 387.307 2.737 20 0 GFADRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)[C@]1(C)CC1(Br)Br ZINC000827898661 660522115 /nfs/dbraw/zinc/52/21/15/660522115.db2.gz RYJICIKREWSKPP-PWSUYJOCSA-N 1 0 382.140 2.683 20 0 GFADRO Cc1cc(I)cc(C(=O)N2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)c1 ZINC000828508965 660552204 /nfs/dbraw/zinc/55/22/04/660552204.db2.gz AQGAXMJDNWVFKU-SWLSCSKDSA-N 1 0 384.261 2.766 20 0 GFADRO C[N@@H+]1CC[C@H]2CN(C(=O)c3cnnn3-c3cccc(Cl)c3Cl)CC[C@H]21 ZINC000828512595 660553525 /nfs/dbraw/zinc/55/35/25/660553525.db2.gz WODKWVRILVVRCX-WCQYABFASA-N 1 0 380.279 2.740 20 0 GFADRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)c1csc(I)n1 ZINC000828829020 660572087 /nfs/dbraw/zinc/57/20/87/660572087.db2.gz HCZQZSGKUIBOHZ-JTQLQIEISA-N 1 0 393.294 2.694 20 0 GFADRO COc1ccc(C(=O)N(C)CC[NH+]2CC3(C2)CCOCC3)c(Br)c1 ZINC000829273410 660587446 /nfs/dbraw/zinc/58/74/46/660587446.db2.gz SBXGDUXQUBMTBP-UHFFFAOYSA-N 1 0 397.313 2.642 20 0 GFADRO CN(CCCC[NH+]1CCCCC1)C(=O)C1(n2cc(Br)cn2)CC1 ZINC000829484844 660594608 /nfs/dbraw/zinc/59/46/08/660594608.db2.gz QKEUSLRAZMJSOB-UHFFFAOYSA-N 1 0 383.334 2.859 20 0 GFADRO CS(=O)(=O)c1cccc(C[NH2+][C@H]2CCN(c3cccc(Cl)c3)C2=O)c1 ZINC000830285348 660646797 /nfs/dbraw/zinc/64/67/97/660646797.db2.gz DHYURCARELCJFG-KRWDZBQOSA-N 1 0 378.881 2.639 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)NCCCCCC[NH3+] ZINC000831093793 660695536 /nfs/dbraw/zinc/69/55/36/660695536.db2.gz GDZANPIAUGRWBJ-UHFFFAOYSA-N 1 0 385.306 2.514 20 0 GFADRO [NH3+]CCCCCCNC(=O)NCc1noc(-c2cccc(Br)c2)n1 ZINC000831286730 660707585 /nfs/dbraw/zinc/70/75/85/660707585.db2.gz GKXGSPACSUYICL-UHFFFAOYSA-N 1 0 396.289 2.817 20 0 GFADRO CCN(C(=O)c1cc(Br)n[nH]1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000832191064 660762038 /nfs/dbraw/zinc/76/20/38/660762038.db2.gz QNUCTAXOPWMLPK-AWEZNQCLSA-N 1 0 377.286 2.909 20 0 GFADRO O=C(NC[C@@H]1CCC[NH2+]1)c1cnn(-c2ncccc2Cl)c1C(F)(F)Cl ZINC000832581810 660787789 /nfs/dbraw/zinc/78/77/89/660787789.db2.gz FYSZOMYHRORITQ-VIFPVBQESA-N 1 0 390.221 2.691 20 0 GFADRO O=C(NCC[NH2+]C1CCCCCC1)c1cccnc1I ZINC000832786322 660800294 /nfs/dbraw/zinc/80/02/94/660800294.db2.gz QZDRWBLNYJVNPV-UHFFFAOYSA-N 1 0 387.265 2.728 20 0 GFADRO CC(=O)N1CCC([NH2+]C[C@](C)(O)c2ccc(Br)cc2Cl)CC1 ZINC000834353038 660815657 /nfs/dbraw/zinc/81/56/57/660815657.db2.gz BBTBXEWYKNASMJ-INIZCTEOSA-N 1 0 389.721 2.911 20 0 GFADRO CS(=O)(=O)CCOCC[NH2+][C@@H]1CCCCc2ccc(Br)cc21 ZINC000834669312 660829243 /nfs/dbraw/zinc/82/92/43/660829243.db2.gz WHWMLGNZNYLCNJ-MRXNPFEDSA-N 1 0 390.343 2.867 20 0 GFADRO CC[C@H]1C[N@H+](CC)CCN1C(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000836220659 660895611 /nfs/dbraw/zinc/89/56/11/660895611.db2.gz ZEGYBXUFDZZUPL-ZDUSSCGKSA-N 1 0 375.441 2.631 20 0 GFADRO C[C@H]1CCC[N@H+](CCNC(=O)NC[C@H](O)c2ccccc2Br)C1 ZINC000836236940 660896571 /nfs/dbraw/zinc/89/65/71/660896571.db2.gz WYHUEJUMWVKEDV-BBRMVZONSA-N 1 0 384.318 2.514 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)NC[C@@H](O)c2ccccc2Br)C1 ZINC000836373967 660902330 /nfs/dbraw/zinc/90/23/30/660902330.db2.gz ISGRDWXBTHTLQM-WOSRLPQWSA-N 1 0 384.318 2.655 20 0 GFADRO C[C@@H]1C[NH+](CCCNC(=O)COc2cc(Cl)ccc2Cl)C[C@@H](C)O1 ZINC000021662892 654529049 /nfs/dbraw/zinc/52/90/49/654529049.db2.gz RVMJBVGMBWBFHP-CHWSQXEVSA-N 1 0 375.296 2.988 20 0 GFADRO CC[C@H]1C[N@H+](CC)CCN1C(=O)C[C@](O)(c1nc(C)cs1)C(F)(F)F ZINC000836947715 660958659 /nfs/dbraw/zinc/95/86/59/660958659.db2.gz KYBYIOUEHWSBLT-WFASDCNBSA-N 1 0 379.448 2.534 20 0 GFADRO C[N@H+](CCOc1ccc(Cl)cc1)CCC(=O)Nc1sccc1C(N)=O ZINC000028876948 654573422 /nfs/dbraw/zinc/57/34/22/654573422.db2.gz DGCDAUWTXITIIO-UHFFFAOYSA-N 1 0 381.885 2.840 20 0 GFADRO O=c1oc2cc(Br)ccc2n1CN1CC[NH+](C2CCCC2)CC1 ZINC000029539579 654577821 /nfs/dbraw/zinc/57/78/21/654577821.db2.gz PBRAEWAGFRTARM-UHFFFAOYSA-N 1 0 380.286 2.875 20 0 GFADRO O=C(NC1CC[NH+](C[C@H](O)COc2c(Cl)cccc2Cl)CC1)C1CC1 ZINC000030285011 654584645 /nfs/dbraw/zinc/58/46/45/654584645.db2.gz UZGACUMRVDBUGC-AWEZNQCLSA-N 1 0 387.307 2.724 20 0 GFADRO C[C@@H](CNS(=O)(=O)c1cccc(Br)c1)[N@@H+]1CCCC[C@H]1C ZINC000032440982 654603122 /nfs/dbraw/zinc/60/31/22/654603122.db2.gz HNVJJOVITTWPMQ-OLZOCXBDSA-N 1 0 375.332 2.990 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1CCCNS(=O)(=O)c1ccccc1Br ZINC000034194184 654609894 /nfs/dbraw/zinc/60/98/94/654609894.db2.gz GOGKXGWLDRROLV-CYBMUJFWSA-N 1 0 375.332 2.992 20 0 GFADRO O=S1(=O)CCC([NH2+]Cc2cc(Br)ccc2OC(F)F)CC1 ZINC000037269785 654614680 /nfs/dbraw/zinc/61/46/80/654614680.db2.gz FTRYFXZOTBZUIX-UHFFFAOYSA-N 1 0 384.242 2.717 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1ccc(Br)cc1Cl ZINC000037382533 654614845 /nfs/dbraw/zinc/61/48/45/654614845.db2.gz IXSWMLOPAZFQRF-LLVKDONJSA-N 1 0 381.723 2.865 20 0 GFADRO CC[NH+](CC)CCNC(=O)c1ccc2cc(I)ccc2n1 ZINC000040977013 654621658 /nfs/dbraw/zinc/62/16/58/654621658.db2.gz KMRPSAKLULLHHS-UHFFFAOYSA-N 1 0 397.260 2.911 20 0 GFADRO CC[NH+]1CCN(CCCNC(=O)c2sc(-c3cccs3)nc2C)CC1 ZINC000041442795 654626852 /nfs/dbraw/zinc/62/68/52/654626852.db2.gz BRTVAZPRAINBGB-UHFFFAOYSA-N 1 0 378.567 2.937 20 0 GFADRO C[N@H+](CCCCNC(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1)C1CC1 ZINC000837225454 660979782 /nfs/dbraw/zinc/97/97/82/660979782.db2.gz OBPVUZUMRFRTEU-UHFFFAOYSA-N 1 0 378.416 2.584 20 0 GFADRO CC[NH+](CC)CCCNC(=O)c1ccc(F)cc1I ZINC000042815996 654645199 /nfs/dbraw/zinc/64/51/99/654645199.db2.gz ONBFBZPSPPYUDQ-UHFFFAOYSA-N 1 0 378.229 2.892 20 0 GFADRO S=C(NCCSc1ccccc1)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000044157908 654654408 /nfs/dbraw/zinc/65/44/08/654654408.db2.gz BHKNWHMAKVXGBD-QGZVFWFLSA-N 1 0 379.595 2.840 20 0 GFADRO COCCOCC[NH2+]Cc1cc(Br)cc(Br)c1OC ZINC000044424446 654657885 /nfs/dbraw/zinc/65/78/85/654657885.db2.gz QOZLQGHONVQFTQ-UHFFFAOYSA-N 1 0 397.107 2.973 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CNC(=O)CSc1nncn1-c1cccc(Cl)c1 ZINC000047615675 654697820 /nfs/dbraw/zinc/69/78/20/654697820.db2.gz DFURJCBAZCQPHY-HNNXBMFYSA-N 1 0 379.917 2.613 20 0 GFADRO CC(C)C[NH+]1CCC(NC(=O)c2c(Br)nc3n2CCCC3)CC1 ZINC000837370960 660989588 /nfs/dbraw/zinc/98/95/88/660989588.db2.gz YQTXICNQVFZVLI-UHFFFAOYSA-N 1 0 383.334 2.832 20 0 GFADRO O=C(CCc1ccccc1Br)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000048229189 654704006 /nfs/dbraw/zinc/70/40/06/654704006.db2.gz PDCIEJVPKUTXGO-UHFFFAOYSA-N 1 0 394.357 2.622 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)C(=O)Nc1ccc(Br)cc1)c1cccs1 ZINC000048742169 654712506 /nfs/dbraw/zinc/71/25/06/654712506.db2.gz LNBGBLDXXJIXPM-CYBMUJFWSA-N 1 0 396.310 2.868 20 0 GFADRO CC(C)(CNC(=O)NNC(=O)c1ccccc1Br)[NH+]1CCCCC1 ZINC000049786575 654716152 /nfs/dbraw/zinc/71/61/52/654716152.db2.gz RLBDXZJZTDWKEP-UHFFFAOYSA-N 1 0 397.317 2.658 20 0 GFADRO COc1ccc(Br)cc1CNC(=O)N1CC[NH+](CC2CC2)CC1 ZINC000050120974 654717793 /nfs/dbraw/zinc/71/77/93/654717793.db2.gz VSWUORRWHNHDSB-UHFFFAOYSA-N 1 0 382.302 2.695 20 0 GFADRO O=C(c1c(Br)nc2n1CCCC2)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000837405055 660993791 /nfs/dbraw/zinc/99/37/91/660993791.db2.gz RGRKGUIJFPFTJS-ZDUSSCGKSA-N 1 0 381.318 2.682 20 0 GFADRO C[NH+](C)Cc1cccc(NC(=O)C(=O)NCc2cc(Br)cs2)c1 ZINC000122029277 654728599 /nfs/dbraw/zinc/72/85/99/654728599.db2.gz OZSALEJFSNFCOF-UHFFFAOYSA-N 1 0 396.310 2.827 20 0 GFADRO Cc1cccc(NC(=O)C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)c1Br ZINC000122173885 654730295 /nfs/dbraw/zinc/73/02/95/654730295.db2.gz UHTNAWNIPQFZDV-HIFRSBDPSA-N 1 0 394.313 2.639 20 0 GFADRO CC[N@H+](CCNC(=O)c1ccc(OC)cc1I)C(C)C ZINC000122194692 654731227 /nfs/dbraw/zinc/73/12/27/654731227.db2.gz LCRHCYJVLYHXSE-UHFFFAOYSA-N 1 0 390.265 2.760 20 0 GFADRO C[C@@H](CS(=O)(=O)c1ccccc1)[NH2+][C@@H]1CCN(c2ncccc2Cl)C1 ZINC000122693469 654742784 /nfs/dbraw/zinc/74/27/84/654742784.db2.gz IQEPUFGRORTDGB-LSDHHAIUSA-N 1 0 379.913 2.766 20 0 GFADRO C[NH+]1CCN(CCCNC(=O)c2csc(-c3cccc(Cl)c3)n2)CC1 ZINC000053287574 654743748 /nfs/dbraw/zinc/74/37/48/654743748.db2.gz IDGCTXZYSFQLJU-UHFFFAOYSA-N 1 0 378.929 2.831 20 0 GFADRO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)C(=O)Nc1ncc(C)s1 ZINC000123981636 654768027 /nfs/dbraw/zinc/76/80/27/654768027.db2.gz FFFHIJRQCOLQFK-UHFFFAOYSA-N 1 0 380.436 2.513 20 0 GFADRO O=C(NC1CC[NH+](C2CC2)CC1)[C@@H]1CCCN1C(=O)c1ccc(Cl)s1 ZINC000055166000 654770036 /nfs/dbraw/zinc/77/00/36/654770036.db2.gz KYICVMGQMZTRDD-AWEZNQCLSA-N 1 0 381.929 2.749 20 0 GFADRO CN(C(=O)c1nscc1I)C(C)(C)C[NH+]1CCCC1 ZINC000910936345 664231429 /nfs/dbraw/zinc/23/14/29/664231429.db2.gz TZNHVKREEYPRBM-UHFFFAOYSA-N 1 0 393.294 2.694 20 0 GFADRO C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(C(F)(F)F)cc2Cl)C1 ZINC000125594931 654798930 /nfs/dbraw/zinc/79/89/30/654798930.db2.gz GBQGOGIAIMYKIH-JTQLQIEISA-N 1 0 377.794 2.707 20 0 GFADRO O=C(NC1CC[NH+](C2CC2)CC1)c1ccc(F)c(I)c1 ZINC000125613129 654799633 /nfs/dbraw/zinc/79/96/33/654799633.db2.gz BJLQSGRQFZCHPZ-UHFFFAOYSA-N 1 0 388.224 2.787 20 0 GFADRO Ic1cccc(OCCCN2CC[NH+](C3CC3)CC2)c1 ZINC000125790676 654801997 /nfs/dbraw/zinc/80/19/97/654801997.db2.gz KXIVNKIIXYNQIN-UHFFFAOYSA-N 1 0 386.277 2.840 20 0 GFADRO O=C(Cc1cc[nH]c(=O)c1Br)O[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000837675632 661010974 /nfs/dbraw/zinc/01/09/74/661010974.db2.gz LRFZUCKAOHNJSR-HNNXBMFYSA-N 1 0 391.265 2.910 20 0 GFADRO CN(C)S(=O)(=O)CCC[N@@H+]1CCC[C@@H]1c1ccccc1Br ZINC000126034872 654807533 /nfs/dbraw/zinc/80/75/33/654807533.db2.gz DWIXBMSKWXEYTD-OAHLLOKOSA-N 1 0 375.332 2.868 20 0 GFADRO O=C(NCc1ccc(O)c(Br)c1)N1CC[NH+](C2CCCC2)CC1 ZINC000126215419 654810289 /nfs/dbraw/zinc/81/02/89/654810289.db2.gz GEXVMPNPPSZRGZ-UHFFFAOYSA-N 1 0 382.302 2.925 20 0 GFADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)COc2c(Cl)cccc2Cl)C1 ZINC000057932257 654812808 /nfs/dbraw/zinc/81/28/08/654812808.db2.gz MNXYTPVGHPJVIT-CYBMUJFWSA-N 1 0 375.296 2.845 20 0 GFADRO C[C@@H](CNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)[N@@H+]1CCC[C@H](C)C1 ZINC000058178807 654816105 /nfs/dbraw/zinc/81/61/05/654816105.db2.gz ASQWWLQWWCWGAQ-STQMWFEESA-N 1 0 380.432 2.984 20 0 GFADRO C[C@@H](CNC(=O)N(C)C[C@@H](O)c1ccccc1Br)C[NH+]1CCCC1 ZINC000837715855 661013137 /nfs/dbraw/zinc/01/31/37/661013137.db2.gz QPYPTJBWWXFYBM-WMLDXEAASA-N 1 0 398.345 2.856 20 0 GFADRO COCc1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1ccc(Br)cc1F)CC2 ZINC000128031457 654839937 /nfs/dbraw/zinc/83/99/37/654839937.db2.gz ZVOTZOHGRHMCHR-PWSUYJOCSA-N 1 0 383.265 2.992 20 0 GFADRO CCn1c(SCC(=O)NCCC[NH+]2CCCC2)nnc1-c1cccs1 ZINC000061547944 654840426 /nfs/dbraw/zinc/84/04/26/654840426.db2.gz LHSWUGZSPUAHDT-UHFFFAOYSA-N 1 0 379.555 2.721 20 0 GFADRO O=C(NCCOc1ccc(Br)cc1)N1CC[NH+](CC2CC2)CC1 ZINC000062507846 654845913 /nfs/dbraw/zinc/84/59/13/654845913.db2.gz QAKPDWBJKSVMSH-UHFFFAOYSA-N 1 0 382.302 2.565 20 0 GFADRO CC(C)(C[NH3+])NS(=O)(=O)c1c(Cl)cc(Br)cc1Cl ZINC000063020566 654848706 /nfs/dbraw/zinc/84/87/06/654848706.db2.gz QQSDHQIPJPHQNE-UHFFFAOYSA-N 1 0 376.103 2.772 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)[C@@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1 ZINC000063114222 654848944 /nfs/dbraw/zinc/84/89/44/654848944.db2.gz IRLVZMNPSFTOKE-BXUZGUMPSA-N 1 0 382.291 2.699 20 0 GFADRO C[NH+]1CCC(NC(=S)NCc2ccc(COCC(F)(F)F)cc2)CC1 ZINC000063146489 654849632 /nfs/dbraw/zinc/84/96/32/654849632.db2.gz LSVFMTALMNJKBF-UHFFFAOYSA-N 1 0 375.460 2.824 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCCCN1S(=O)(=O)c1ccc(Br)cc1Cl ZINC000063193884 654850245 /nfs/dbraw/zinc/85/02/45/654850245.db2.gz PVAGFSHEDWGZMN-JOYOIKCWSA-N 1 0 381.723 2.993 20 0 GFADRO C[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(Cl)c(S(=O)(=O)N(C)C)c2)CC1 ZINC000063308982 654851666 /nfs/dbraw/zinc/85/16/66/654851666.db2.gz BIFKXYLCJLDVQK-CYBMUJFWSA-N 1 0 387.933 2.651 20 0 GFADRO COc1cc(C[NH2+]Cc2cccnc2)cc(I)c1OC ZINC000063312789 654852073 /nfs/dbraw/zinc/85/20/73/654852073.db2.gz BCDSPBKGGXNRTF-UHFFFAOYSA-N 1 0 384.217 2.993 20 0 GFADRO COc1cc(C[NH2+][C@@H](CO)CC(C)C)cc(I)c1OC ZINC000063319059 654852109 /nfs/dbraw/zinc/85/21/09/654852109.db2.gz AQIMLLZYYWWBNW-GFCCVEGCSA-N 1 0 393.265 2.805 20 0 GFADRO COc1cc(C[NH2+]C[C@@H]2CCCO2)cc(I)c1OC ZINC000063312851 654852154 /nfs/dbraw/zinc/85/21/54/654852154.db2.gz FVJNYAPKGWLCSI-NSHDSACASA-N 1 0 377.222 2.577 20 0 GFADRO C[C@@H]1C[NH+](CC2CCN(C(=O)CSCc3cscn3)CC2)C[C@@H](C)O1 ZINC000129171647 654858822 /nfs/dbraw/zinc/85/88/22/654858822.db2.gz IVQKWOLAFZCJKD-HUUCEWRRSA-N 1 0 383.583 2.724 20 0 GFADRO C[N@@H+]1CCC[C@@H]2CN(S(=O)(=O)c3sccc3Br)CC[C@@H]21 ZINC000129178158 654859475 /nfs/dbraw/zinc/85/94/75/654859475.db2.gz ZFDRRFBRRWMZLU-PWSUYJOCSA-N 1 0 379.345 2.615 20 0 GFADRO COc1ccc(S(=O)(=O)N(C)[C@@H]2CC[N@H+](C)C[C@H]2C)c(Cl)c1Cl ZINC000266157186 654859934 /nfs/dbraw/zinc/85/99/34/654859934.db2.gz GSTXROOIIJEFAS-GHMZBOCLSA-N 1 0 381.325 2.963 20 0 GFADRO O=C(NCCOc1ccc(Br)cc1)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000129472716 654863620 /nfs/dbraw/zinc/86/36/20/654863620.db2.gz HSHRULHXJVIFMC-CYBMUJFWSA-N 1 0 382.302 2.611 20 0 GFADRO CC(C)n1cc(S(=O)(=O)NCC2CC[NH+](Cc3cccs3)CC2)cn1 ZINC000266212122 654863654 /nfs/dbraw/zinc/86/36/54/654863654.db2.gz VFSMYQLGNIFDDF-UHFFFAOYSA-N 1 0 382.555 2.716 20 0 GFADRO CC(C)[NH+]1CCN(CCCOC(=O)c2cccc(N)c2Br)CC1 ZINC000837968261 661023071 /nfs/dbraw/zinc/02/30/71/661023071.db2.gz YOXRMNRYIYYZSU-UHFFFAOYSA-N 1 0 384.318 2.604 20 0 GFADRO O=C(c1cc(Br)ccc1O)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000064346705 654866769 /nfs/dbraw/zinc/86/67/69/654866769.db2.gz RRQVTFWLFZCFCA-UHFFFAOYSA-N 1 0 397.313 2.729 20 0 GFADRO O=C(CNC(=O)C[N@H+](C1CC1)C1CCCC1)Nc1ccccc1Br ZINC000064808885 654875240 /nfs/dbraw/zinc/87/52/40/654875240.db2.gz HQNXEIBOZWUBCT-UHFFFAOYSA-N 1 0 394.313 2.911 20 0 GFADRO CCOc1ccc(S(=O)(=O)NC[C@H](C)[N@H+](C)C2CC2)cc1Br ZINC000129937476 654878050 /nfs/dbraw/zinc/87/80/50/654878050.db2.gz CRJQZBSAPUTTSW-NSHDSACASA-N 1 0 391.331 2.609 20 0 GFADRO O=C(NCCc1nc(C(F)(F)F)cs1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000266453188 654879678 /nfs/dbraw/zinc/87/96/78/654879678.db2.gz DMXFLFQCGZKXSK-LBPRGKRZSA-N 1 0 376.448 2.974 20 0 GFADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2cc(Cl)c(OC)c(Cl)c2)C1 ZINC000266634235 654887720 /nfs/dbraw/zinc/88/77/20/654887720.db2.gz SLIMYEZKRGHPAU-NSHDSACASA-N 1 0 388.295 2.741 20 0 GFADRO COCCNS(=O)(=O)c1cccc(C[NH2+][C@H](C)c2ccnc(Cl)c2)c1 ZINC000130468339 654889284 /nfs/dbraw/zinc/88/92/84/654889284.db2.gz UPWDSZJDTFGZRI-CYBMUJFWSA-N 1 0 383.901 2.511 20 0 GFADRO CN(C1CC[NH+](C2CCOCC2)CC1)S(=O)(=O)c1cccc(Cl)c1F ZINC000066103487 654894557 /nfs/dbraw/zinc/89/45/57/654894557.db2.gz DXKWAYWDOJZSPV-UHFFFAOYSA-N 1 0 390.908 2.743 20 0 GFADRO CC[NH+]1CCN(CCC(=O)N2CCSC[C@H]2c2ccc(Cl)cc2)CC1 ZINC000266822199 654895312 /nfs/dbraw/zinc/89/53/12/654895312.db2.gz FYNXSFZXPMQMID-SFHVURJKSA-N 1 0 381.973 2.984 20 0 GFADRO CC[C@@H](C)[N@H+](C)CCNC(=O)Cc1csc(NC(=O)c2cccs2)n1 ZINC000066137218 654895825 /nfs/dbraw/zinc/89/58/25/654895825.db2.gz RXWFJMKKWZZPFP-GFCCVEGCSA-N 1 0 380.539 2.846 20 0 GFADRO CC[C@@H](C)[N@H+](C)CCNC(=O)/C=C/c1ccc(I)o1 ZINC000066150105 654896041 /nfs/dbraw/zinc/89/60/41/654896041.db2.gz QHDADHWSSWFMJO-LXSSAFMLSA-N 1 0 376.238 2.744 20 0 GFADRO COc1ccc(CNC(=O)N2CC[C@H]([NH+]3CCCC3)C2)cc1Br ZINC000066195016 654896714 /nfs/dbraw/zinc/89/67/14/654896714.db2.gz BSNMMKYKYCEFCB-AWEZNQCLSA-N 1 0 382.302 2.837 20 0 GFADRO C[C@H]([NH2+]C[C@H](O)c1cccc(Cl)c1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000266881166 654897410 /nfs/dbraw/zinc/89/74/10/654897410.db2.gz PJCXUMUHTRQJCQ-UGSOOPFHSA-N 1 0 382.913 2.975 20 0 GFADRO O=C1c2cc(Cl)c(Cl)cc2C(=O)N1CN1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000131356868 654903296 /nfs/dbraw/zinc/90/32/96/654903296.db2.gz WMOKAMWXHQHYED-LBPRGKRZSA-N 1 0 382.291 2.965 20 0 GFADRO CC[NH+]1CCC(NS(=O)(=O)c2cc(C(=O)OC)c(Cl)cc2Cl)CC1 ZINC000267025360 654905477 /nfs/dbraw/zinc/90/54/77/654905477.db2.gz KMQZBNZGXOGZOA-UHFFFAOYSA-N 1 0 395.308 2.543 20 0 GFADRO CC(=O)Nc1ccc(S(=O)(=O)NCCC[N@H+]2CCCC[C@@H]2C)cc1Cl ZINC000267181977 654915549 /nfs/dbraw/zinc/91/55/49/654915549.db2.gz KENPBQQDBQIBOQ-ZDUSSCGKSA-N 1 0 387.933 2.841 20 0 GFADRO CN(Cc1ccc([S@](C)=O)cc1)C(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000267374472 654925502 /nfs/dbraw/zinc/92/55/02/654925502.db2.gz UDYITFWKXREGKT-GKVSMKOHSA-N 1 0 379.551 2.930 20 0 GFADRO O=C(/C=C/c1ccc(Br)s1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000267377893 654925939 /nfs/dbraw/zinc/92/59/39/654925939.db2.gz OLNBZMLIHRZCCQ-CXLRFSCWSA-N 1 0 385.327 2.705 20 0 GFADRO O=C(Nc1ccc(F)c(Br)c1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000267424944 654927847 /nfs/dbraw/zinc/92/78/47/654927847.db2.gz ANKHTIDLHFVWPC-LBPRGKRZSA-N 1 0 386.265 2.774 20 0 GFADRO O=C1CNC(=O)N1CC[NH2+]C1(c2cccc(Br)c2)CCCCC1 ZINC000132211531 654929168 /nfs/dbraw/zinc/92/91/68/654929168.db2.gz RZTMPSJLSHLRLG-UHFFFAOYSA-N 1 0 380.286 2.750 20 0 GFADRO C[NH+](C)CCOc1ccc(CCNC(=O)c2occc2Br)cc1 ZINC000267602724 654937361 /nfs/dbraw/zinc/93/73/61/654937361.db2.gz XQZLTOIDSAIMOQ-UHFFFAOYSA-N 1 0 381.270 2.955 20 0 GFADRO CCn1c(C[NH2+][C@H]2CCC[C@@H](O)C2)nc(Br)c1Br ZINC000921587152 664556037 /nfs/dbraw/zinc/55/60/37/664556037.db2.gz QKJWQFUKVRKABM-DTWKUNHWSA-N 1 0 381.112 2.821 20 0 GFADRO O=C(C[C@H]1CSCC[NH2+]1)Nc1ccnn1Cc1cccc(Br)c1 ZINC000132560937 654941511 /nfs/dbraw/zinc/94/15/11/654941511.db2.gz SGKDJSDNCYHBCN-AWEZNQCLSA-N 1 0 395.326 2.728 20 0 GFADRO Cc1ccc(NC(=O)C(=O)NC[C@@H]2CC[N@@H+](C(C)C)C2)c(Br)c1 ZINC000067782153 654945625 /nfs/dbraw/zinc/94/56/25/654945625.db2.gz ZRCUSPHZOFHHON-ZDUSSCGKSA-N 1 0 382.302 2.543 20 0 GFADRO CC(C)[NH+]1CCN(C(=O)[C@@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)CC1 ZINC000067792388 654945796 /nfs/dbraw/zinc/94/57/96/654945796.db2.gz SKDOJVLIOMZYMO-AWEZNQCLSA-N 1 0 384.307 2.899 20 0 GFADRO CCO[C@@H](CC[NH+](C)C)CNC(=O)CSc1ccc(C(F)(F)F)cn1 ZINC000267915597 654951765 /nfs/dbraw/zinc/95/17/65/654951765.db2.gz CAVOFOZZVYXLIG-ZDUSSCGKSA-N 1 0 379.448 2.666 20 0 GFADRO C[C@H](CNC(=O)[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)[NH+]1CCCC1 ZINC000068064414 654953034 /nfs/dbraw/zinc/95/30/34/654953034.db2.gz OZACCAQHQREOMH-TZMCWYRMSA-N 1 0 384.307 2.947 20 0 GFADRO CCN1C(=S)N=NC1[C@@H]1CCCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC000268135359 654960235 /nfs/dbraw/zinc/96/02/35/654960235.db2.gz PJADFPLVJZMIPX-CYBMUJFWSA-N 1 0 379.555 2.730 20 0 GFADRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1cc(F)ccc1I ZINC000268160811 654960953 /nfs/dbraw/zinc/96/09/53/654960953.db2.gz CTKUDLZCHISCHO-LKFCYVNXSA-N 1 0 388.224 2.643 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)[C@H]1CSCN1C(=O)CC(C)(C)C)c1ccsc1 ZINC000068393567 654961522 /nfs/dbraw/zinc/96/15/22/654961522.db2.gz WDWJOQXBBFZTMA-LSDHHAIUSA-N 1 0 383.583 2.805 20 0 GFADRO Cc1cc(Br)ccc1S(=O)(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000133374395 654962304 /nfs/dbraw/zinc/96/23/04/654962304.db2.gz NCUFRAMVYWCVST-AWEZNQCLSA-N 1 0 387.343 2.864 20 0 GFADRO C[NH+](C)C[C@@H]1CCCN1C(=O)c1cnn(-c2cccc(Br)c2)c1 ZINC000268203350 654963179 /nfs/dbraw/zinc/96/31/79/654963179.db2.gz UKDSMXPDHVOCIA-INIZCTEOSA-N 1 0 377.286 2.801 20 0 GFADRO O=C([C@@H]1COCCO1)N(CC[NH+]1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC000068476664 654963950 /nfs/dbraw/zinc/96/39/50/654963950.db2.gz WVDUXAMZEWLPDB-KRWDZBQOSA-N 1 0 387.307 2.833 20 0 GFADRO C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)N1CCCC2(C1)OCCO2 ZINC000133483322 654964371 /nfs/dbraw/zinc/96/43/71/654964371.db2.gz FDQPMTBXSAXGON-CQSZACIVSA-N 1 0 397.313 2.635 20 0 GFADRO C[C@@H]([NH2+]Cc1ccc(S(=O)(=O)N(C)C)cc1)c1ccc([S@@](C)=O)cc1 ZINC000133853841 654975320 /nfs/dbraw/zinc/97/53/20/654975320.db2.gz VDDVHQQZZMMBIW-SHACYNPGSA-N 1 0 380.535 2.525 20 0 GFADRO COCCN1CCC[C@H]1C[NH2+]CC1=Cc2cc(Br)ccc2OC1 ZINC000069171764 654975948 /nfs/dbraw/zinc/97/59/48/654975948.db2.gz GCICRCLGUBAIBX-KRWDZBQOSA-N 1 0 381.314 2.925 20 0 GFADRO C[C@H](CNC(=O)CNC(=O)c1sc2ccccc2c1Cl)[N@H+](C)C1CC1 ZINC000069534275 654983069 /nfs/dbraw/zinc/98/30/69/654983069.db2.gz LNWZFFHDFYAYKC-LLVKDONJSA-N 1 0 379.913 2.883 20 0 GFADRO C[C@H](CNC(=O)C(=O)Nc1ccc2cc(Br)ccc2c1)[NH+](C)C ZINC000268749591 654985348 /nfs/dbraw/zinc/98/53/48/654985348.db2.gz WGTSAXYZKSGONX-LLVKDONJSA-N 1 0 378.270 2.607 20 0 GFADRO CCN(CC)S(=O)(=O)c1ccc(CC[NH2+]Cc2ccc(COC)o2)s1 ZINC000268782047 654986615 /nfs/dbraw/zinc/98/66/15/654986615.db2.gz IYUMXUNHOZTVAY-UHFFFAOYSA-N 1 0 386.539 2.850 20 0 GFADRO CC(C)(CNC(=O)NC[C@@H](O)c1ccccc1Br)C[NH+]1CCCC1 ZINC000838569487 661050082 /nfs/dbraw/zinc/05/00/82/661050082.db2.gz WHHRAXJGSIQBBZ-MRXNPFEDSA-N 1 0 398.345 2.904 20 0 GFADRO CC[C@H](Cc1ccccc1Br)C(=O)NC[C@@H](C)N1CC[NH+](C)CC1 ZINC000134243152 654988042 /nfs/dbraw/zinc/98/80/42/654988042.db2.gz UWTBVHDCWDZUDF-HZPDHXFCSA-N 1 0 396.373 2.770 20 0 GFADRO COc1ccc(C)cc1C[NH2+]CC1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000069875904 654988599 /nfs/dbraw/zinc/98/85/99/654988599.db2.gz NVWTWWNUHDEIMF-UHFFFAOYSA-N 1 0 380.432 2.655 20 0 GFADRO CC[NH+]1CCC(n2nccc2NC(=O)c2cncc(Br)c2)CC1 ZINC000069898326 654988907 /nfs/dbraw/zinc/98/89/07/654988907.db2.gz GHUIHNZFKKVZPN-UHFFFAOYSA-N 1 0 378.274 2.950 20 0 GFADRO COC[C@@](C)(O)C[NH2+]Cc1c(C)nn(-c2ccc(Br)cc2)c1C ZINC000069912017 654988964 /nfs/dbraw/zinc/98/89/64/654988964.db2.gz HHQMIBZEZCRDIP-KRWDZBQOSA-N 1 0 382.302 2.739 20 0 GFADRO Cc1c([C@@H](C)[NH2+]C[C@@]2(O)CCSC2)nnn1-c1cccc(Br)c1 ZINC000268926201 654991475 /nfs/dbraw/zinc/99/14/75/654991475.db2.gz LCEXTMXUHQBZEI-BZNIZROVSA-N 1 0 397.342 2.857 20 0 GFADRO COCC[C@](C)(O)C[NH2+][C@H](C)c1nnn(-c2cccc(Br)c2)c1C ZINC000268929853 654991608 /nfs/dbraw/zinc/99/16/08/654991608.db2.gz QNWLYKLEJZIATL-PXAZEXFGSA-N 1 0 397.317 2.776 20 0 GFADRO CN(Cc1cc(Br)cs1)C(=O)C[N@H+](C)[C@@H](CO)C(C)(C)C ZINC000134384578 654992902 /nfs/dbraw/zinc/99/29/02/654992902.db2.gz DFKFQEGLIOXDJU-ZDUSSCGKSA-N 1 0 377.348 2.808 20 0 GFADRO Cc1c([C@@H](C)[NH2+][C@@H]2CCC(=O)N(C)C2)nnn1-c1cccc(Br)c1 ZINC000269030917 654995876 /nfs/dbraw/zinc/99/58/76/654995876.db2.gz SCBBEXWCYVDSTD-BXUZGUMPSA-N 1 0 392.301 2.610 20 0 GFADRO O=C(Nc1ccccc1Br)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000269112920 654998240 /nfs/dbraw/zinc/99/82/40/654998240.db2.gz BHYBYEKDNIWSAI-JKSUJKDBSA-N 1 0 382.302 2.948 20 0 GFADRO C[C@H](NC(=O)c1ccn(-c2cccc(Br)c2)n1)[C@@H]1CCC[NH2+]C1 ZINC000269163647 655000493 /nfs/dbraw/zinc/00/04/93/655000493.db2.gz CCEKMYRVXLZSMH-QWHCGFSZSA-N 1 0 377.286 2.753 20 0 GFADRO O=C(C[NH2+]CC1CC1)N1CCC(C(=O)Nc2cccc(Br)c2)CC1 ZINC000269228713 655002358 /nfs/dbraw/zinc/00/23/58/655002358.db2.gz PWPKOYAXGWOGBR-UHFFFAOYSA-N 1 0 394.313 2.626 20 0 GFADRO C[C@@H](NC(=O)c1cnn(-c2ccc(Br)cc2)c1)[C@H]1CCC[NH2+]C1 ZINC000269229332 655002375 /nfs/dbraw/zinc/00/23/75/655002375.db2.gz VMTNLWDYSDJJKB-OLZOCXBDSA-N 1 0 377.286 2.753 20 0 GFADRO COCC[N@@H+]1CC[C@H](NC(=O)c2cc(C(F)(F)F)ccc2Br)C1 ZINC000269247614 655002752 /nfs/dbraw/zinc/00/27/52/655002752.db2.gz CJCZLWKXBHLPOF-NSHDSACASA-N 1 0 395.219 2.918 20 0 GFADRO C[NH+](C)[C@@]1(CNC(=O)Cc2cccc(OCC(F)(F)F)c2)CCSC1 ZINC000269264971 655003573 /nfs/dbraw/zinc/00/35/73/655003573.db2.gz JKCWEHPOMGABAY-MRXNPFEDSA-N 1 0 376.444 2.724 20 0 GFADRO C[S@@](=O)Cc1cc(NC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)ccc1Cl ZINC000269296151 655004619 /nfs/dbraw/zinc/00/46/19/655004619.db2.gz RRMWWYITDARVGH-CRICUBBOSA-N 1 0 384.929 2.800 20 0 GFADRO Nn1c(SCC[NH+]2CCCCC2)nnc1-c1ccccc1Br ZINC000134991010 655006951 /nfs/dbraw/zinc/00/69/51/655006951.db2.gz SMDBVRGTZINGBA-UHFFFAOYSA-N 1 0 382.331 2.999 20 0 GFADRO CN(C(=O)NCC[C@]1(C)CC1(Cl)Cl)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000838680550 661053829 /nfs/dbraw/zinc/05/38/29/661053829.db2.gz JMCQBSGGUPKNPD-DOTOQJQBSA-N 1 0 391.387 2.770 20 0 GFADRO C[N@@H+]1CCC[C@H]2CN(S(=O)(=O)c3cc(F)ccc3Br)CC[C@H]21 ZINC000269377989 655007773 /nfs/dbraw/zinc/00/77/73/655007773.db2.gz WGPQZNFAINSFEQ-SMDDNHRTSA-N 1 0 391.306 2.693 20 0 GFADRO Cn1cc(NC(=O)NC[C@H](c2ccsc2)[NH+](C)C)cc(Br)c1=O ZINC000269386693 655008032 /nfs/dbraw/zinc/00/80/32/655008032.db2.gz JVQRXCUXBDUYPB-CYBMUJFWSA-N 1 0 399.314 2.634 20 0 GFADRO Cc1nn(C)cc1C[N@@H+]1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000091841532 655010111 /nfs/dbraw/zinc/01/01/11/655010111.db2.gz ROGBIXARZXTFKG-CYBMUJFWSA-N 1 0 392.301 2.737 20 0 GFADRO CN(C)c1ncc(C[NH2+]C(C)(C)COc2ncccc2Br)cn1 ZINC000269483744 655011062 /nfs/dbraw/zinc/01/10/62/655011062.db2.gz GXQBMJSPVIZUOW-UHFFFAOYSA-N 1 0 380.290 2.647 20 0 GFADRO Cc1cc(Br)cc2cc(C(=O)NCCCN3CC[NH+](C)CC3)oc21 ZINC000092162857 655012546 /nfs/dbraw/zinc/01/25/46/655012546.db2.gz URMBWYVZYMEJGY-UHFFFAOYSA-N 1 0 394.313 2.871 20 0 GFADRO C[C@@H](CN1CCOCC1)[NH2+]Cc1ccc(OC(F)F)c(Br)c1 ZINC000092561319 655014219 /nfs/dbraw/zinc/01/42/19/655014219.db2.gz YCQOLTFAKWTCLY-NSHDSACASA-N 1 0 379.245 2.861 20 0 GFADRO COC(=O)c1cc(NC[C@@](C)(O)C[NH+](C)C)c2cc(Br)ccc2n1 ZINC000269763532 655020741 /nfs/dbraw/zinc/02/07/41/655020741.db2.gz FPENWOFOJQJBBQ-QGZVFWFLSA-N 1 0 396.285 2.508 20 0 GFADRO O=C(c1cnn2cc(Br)cnc12)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000094125086 655027677 /nfs/dbraw/zinc/02/76/77/655027677.db2.gz WFAVPQYVVUMQIM-CQSZACIVSA-N 1 0 392.301 2.582 20 0 GFADRO O=C(c1cnn2cc(Br)cnc12)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000094163984 655029023 /nfs/dbraw/zinc/02/90/23/655029023.db2.gz PNOZLULFTZUQTG-AWEZNQCLSA-N 1 0 392.301 2.582 20 0 GFADRO COC[C@H]([NH2+][C@@H](C)C(=O)Nc1cccc(I)c1)C1CC1 ZINC000136615814 655033678 /nfs/dbraw/zinc/03/36/78/655033678.db2.gz LYMMHNRCPQBZMU-HZMBPMFUSA-N 1 0 388.249 2.633 20 0 GFADRO O=C(Cc1cc(Br)ccc1F)N1CCN(c2cc[nH+]cc2)CC1 ZINC000136910060 655036790 /nfs/dbraw/zinc/03/67/90/655036790.db2.gz LQJRYFMLZUFCLH-UHFFFAOYSA-N 1 0 378.245 2.875 20 0 GFADRO O=C(Cc1ccc(Br)cc1)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000136938564 655036838 /nfs/dbraw/zinc/03/68/38/655036838.db2.gz KVJHXERPOKHOJS-HNNXBMFYSA-N 1 0 381.314 2.609 20 0 GFADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)COCC(F)(F)F ZINC000098036367 655038744 /nfs/dbraw/zinc/03/87/44/655038744.db2.gz BXKJQNYCAAVMRZ-UHFFFAOYSA-N 1 0 397.235 2.918 20 0 GFADRO CC[NH+](CC)CC(=O)N[C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000137351241 655039786 /nfs/dbraw/zinc/03/97/86/655039786.db2.gz SRBJKMZPTXVYRN-GFCCVEGCSA-N 1 0 378.826 2.791 20 0 GFADRO C[C@H](C[C@@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]CCS(=O)(=O)C(C)(C)C ZINC000138497874 655043138 /nfs/dbraw/zinc/04/31/38/655043138.db2.gz VQUGZAGRSZCWTP-CABCVRRESA-N 1 0 376.563 2.967 20 0 GFADRO O=C1NC(=O)C2(CC[NH+](CC/C=C/c3ccc(Br)cc3)CC2)N1 ZINC000270466927 655045805 /nfs/dbraw/zinc/04/58/05/655045805.db2.gz BIQYSQVTENHQSI-HNQUOIGGSA-N 1 0 378.270 2.526 20 0 GFADRO O=C(Nc1ccc(C(=O)OC2CC[NH2+]CC2)cc1)c1cc(Br)c[nH]1 ZINC000151116290 655048148 /nfs/dbraw/zinc/04/81/48/655048148.db2.gz YHEMUFQQQLXNHL-UHFFFAOYSA-N 1 0 392.253 2.938 20 0 GFADRO CC(C)[NH+]1CCN(C2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)CC1 ZINC000270557586 655048802 /nfs/dbraw/zinc/04/88/02/655048802.db2.gz ORKLGSRRWBVTQJ-UHFFFAOYSA-N 1 0 391.990 2.581 20 0 GFADRO COc1cc(CNCC[N@H+](C)C(C)C)cc(I)c1OC ZINC000101931469 655048824 /nfs/dbraw/zinc/04/88/24/655048824.db2.gz LJVQKDRMNBOUGV-UHFFFAOYSA-N 1 0 392.281 2.738 20 0 GFADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)Nc1ccc(Br)cc1 ZINC000102050833 655050015 /nfs/dbraw/zinc/05/00/15/655050015.db2.gz MQOMZAUGTDNBBN-OAHLLOKOSA-N 1 0 397.317 2.513 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)c1ccc(Br)o1 ZINC000270837486 655057302 /nfs/dbraw/zinc/05/73/02/655057302.db2.gz JYCOHOGCUYNMKH-LSDHHAIUSA-N 1 0 393.281 2.655 20 0 GFADRO O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)c1ccc(Br)o1 ZINC000270837470 655057428 /nfs/dbraw/zinc/05/74/28/655057428.db2.gz JYCOHOGCUYNMKH-CABCVRRESA-N 1 0 393.281 2.655 20 0 GFADRO COC(=O)CC[N@H+](CCC(=O)N1CCCC1)Cc1cccc(Br)c1 ZINC000838962032 661064994 /nfs/dbraw/zinc/06/49/94/661064994.db2.gz FVTOJOVIVSZLAR-UHFFFAOYSA-N 1 0 397.313 2.827 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)c1occc1Br ZINC000270942713 655061127 /nfs/dbraw/zinc/06/11/27/655061127.db2.gz WPVLWNUYHKMXMC-GOEBONIOSA-N 1 0 393.281 2.655 20 0 GFADRO C[C@H](C[NH+]1CCC(C(=O)NCCCO)CC1)c1cccc(Br)c1 ZINC000271058414 655065251 /nfs/dbraw/zinc/06/52/51/655065251.db2.gz VJOQOCYJYDVYKG-CQSZACIVSA-N 1 0 383.330 2.763 20 0 GFADRO Cc1c(C(=O)N(C)CC[NH+]2CCCC2)nnn1-c1cccc(Br)c1 ZINC000103116360 655067125 /nfs/dbraw/zinc/06/71/25/655067125.db2.gz OIFLEAMPUHUMOK-UHFFFAOYSA-N 1 0 392.301 2.506 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)N[C@@H](CO)c2ccc(Br)cc2)C1 ZINC000271145925 655067836 /nfs/dbraw/zinc/06/78/36/655067836.db2.gz PIEATYNCTCMNSQ-XHSDSOJGSA-N 1 0 384.318 2.655 20 0 GFADRO O=S(=O)(c1cc(Br)c(F)cc1F)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000103160171 655068294 /nfs/dbraw/zinc/06/82/94/655068294.db2.gz IEROCZBOZHOVCA-SNVBAGLBSA-N 1 0 395.269 2.586 20 0 GFADRO CC(C)[C@@H]1CN(C)CC[N@@H+]1Cn1ccc(=O)c2cccc(Br)c21 ZINC000153637762 655068731 /nfs/dbraw/zinc/06/87/31/655068731.db2.gz HGZQYWXQGMSDMO-INIZCTEOSA-N 1 0 378.314 2.994 20 0 GFADRO CN(CC[NH+]1CCCC1)C(=O)CNC(=O)c1sc2ccccc2c1Cl ZINC000103204071 655069069 /nfs/dbraw/zinc/06/90/69/655069069.db2.gz MAVJWQSPYYIAIA-UHFFFAOYSA-N 1 0 379.913 2.839 20 0 GFADRO CC[NH+](CC)CCC[C@H](C)NC(=O)c1nccn2c(Br)cnc12 ZINC000271231114 655071771 /nfs/dbraw/zinc/07/17/71/655071771.db2.gz IVAZTGYZONKBEO-LBPRGKRZSA-N 1 0 382.306 2.732 20 0 GFADRO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[NH+]1CCC(CCC(N)=O)CC1 ZINC000271248458 655072576 /nfs/dbraw/zinc/07/25/76/655072576.db2.gz RBXZBRWCHYAYTP-UHFFFAOYSA-N 1 0 386.323 2.929 20 0 GFADRO C[C@@H](NC(=O)C[NH+]1CCC(CCC(N)=O)CC1)c1ccc(Br)cc1 ZINC000271259054 655073419 /nfs/dbraw/zinc/07/34/19/655073419.db2.gz UKBCBNWYFTYWJY-CYBMUJFWSA-N 1 0 396.329 2.604 20 0 GFADRO C[C@@H]([NH2+]C[C@H](O)C1CCOCC1)c1ccccc1I ZINC000271425905 655080854 /nfs/dbraw/zinc/08/08/54/655080854.db2.gz BFTFOGLCGHCTTQ-ABAIWWIYSA-N 1 0 375.250 2.729 20 0 GFADRO COc1cc[nH+]c(N2CCN(C(=O)c3csc(Br)c3)CC2)c1 ZINC000104518563 655081721 /nfs/dbraw/zinc/08/17/21/655081721.db2.gz BSWSMHXKGUTXFY-UHFFFAOYSA-N 1 0 382.283 2.877 20 0 GFADRO Cc1cc(Br)cc(C[NH2+]CC2(N3CCOCC3)CCOCC2)c1 ZINC000839165593 661073935 /nfs/dbraw/zinc/07/39/35/661073935.db2.gz QKJSZQIMPLAUAY-UHFFFAOYSA-N 1 0 383.330 2.729 20 0 GFADRO C[C@H]([NH2+]CCc1nc(C(F)(F)F)cs1)c1cccc(S(N)(=O)=O)c1 ZINC000271661863 655090099 /nfs/dbraw/zinc/09/00/99/655090099.db2.gz HGUSPLAODFCKSQ-VIFPVBQESA-N 1 0 379.429 2.703 20 0 GFADRO CC(=O)N[C@@H](CC(=O)N1CCC[C@H]([NH+](C)C)C1)c1ccc(Br)cc1 ZINC000105325192 655090515 /nfs/dbraw/zinc/09/05/15/655090515.db2.gz HRDVFGTZBZMVQU-IRXDYDNUSA-N 1 0 396.329 2.569 20 0 GFADRO C[C@@H]([NH2+]CCc1ccccc1Br)c1cccc(S(N)(=O)=O)c1 ZINC000271671723 655090611 /nfs/dbraw/zinc/09/06/11/655090611.db2.gz IJSGFKMEBDDHAZ-GFCCVEGCSA-N 1 0 383.311 2.990 20 0 GFADRO COC(=O)[C@H](C)C[N@H+](Cn1ccc(=O)c2cccc(Br)c21)C1CC1 ZINC000105604627 655095734 /nfs/dbraw/zinc/09/57/34/655095734.db2.gz VHXRCANGISOBIC-GFCCVEGCSA-N 1 0 393.281 2.995 20 0 GFADRO COc1ccc([C@@H](C)[NH2+]C2CCN(CC(=O)N(C)C)CC2)c(Br)c1 ZINC000271871487 655097521 /nfs/dbraw/zinc/09/75/21/655097521.db2.gz MUXQYHCTXMPSMI-CYBMUJFWSA-N 1 0 398.345 2.661 20 0 GFADRO Cc1cc(I)ccc1NC(=O)NCC1=CC[N@H+](C)CC1 ZINC000271970317 655099790 /nfs/dbraw/zinc/09/97/90/655099790.db2.gz MUZUTLZTFQJEAI-UHFFFAOYSA-N 1 0 385.249 2.983 20 0 GFADRO C[NH+]1CCC([C@H]2CCN(S(=O)(=O)c3c(Cl)ccnc3Cl)C2)CC1 ZINC000272169291 655104744 /nfs/dbraw/zinc/10/47/44/655104744.db2.gz PODYNAJJMQKVIG-LBPRGKRZSA-N 1 0 378.325 2.741 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCN(C(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CCCC2)C1 ZINC000272166295 655104793 /nfs/dbraw/zinc/10/47/93/655104793.db2.gz BFTOAZLIGXYPTJ-KBPBESRZSA-N 1 0 384.929 2.622 20 0 GFADRO CCOc1cc(Br)c(CC(=O)N2CC[C@H]([C@@H](C)[NH3+])C2)cc1OCC ZINC000272217264 655106141 /nfs/dbraw/zinc/10/61/41/655106141.db2.gz IILVTUYWFOHSFF-OLZOCXBDSA-N 1 0 399.329 2.985 20 0 GFADRO Cc1cc(S(=O)(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)sc1Br ZINC000158783581 655109354 /nfs/dbraw/zinc/10/93/54/655109354.db2.gz VECPGXUHQGBIMI-WDEREUQCSA-N 1 0 379.345 2.724 20 0 GFADRO CN1CC[N@H+](C)C[C@@H]1CN[C@@H](c1ccco1)c1ccc(Br)cc1 ZINC000272341620 655109472 /nfs/dbraw/zinc/10/94/72/655109472.db2.gz BTMPTXSCUFYAHE-FUHWJXTLSA-N 1 0 378.314 2.967 20 0 GFADRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(Cc2cccc(Br)n2)CC1 ZINC000272390481 655110934 /nfs/dbraw/zinc/11/09/34/655110934.db2.gz HDBFHCMBERUVOZ-IYBDPMFKSA-N 1 0 381.362 2.835 20 0 GFADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)CCCc1ccc(Br)s1 ZINC000106815687 655111931 /nfs/dbraw/zinc/11/19/31/655111931.db2.gz OCLMALVQWLVUSS-ZDUSSCGKSA-N 1 0 388.375 2.585 20 0 GFADRO Cc1c(Br)cccc1NC(=O)C(=O)NCC1(C)CC[NH+](C)CC1 ZINC000272458712 655113332 /nfs/dbraw/zinc/11/33/32/655113332.db2.gz CITIMAZNZNJQJM-UHFFFAOYSA-N 1 0 382.302 2.544 20 0 GFADRO C[NH+](C)C1CCN(C(=O)c2cnn(-c3cccc(Br)c3)c2)CC1 ZINC000106905946 655114155 /nfs/dbraw/zinc/11/41/55/655114155.db2.gz AHDLXGNRHDIWHM-UHFFFAOYSA-N 1 0 377.286 2.801 20 0 GFADRO CCOc1ccc(Br)cc1NC(=O)N[C@H](C)CN1CC[NH+](C)CC1 ZINC000106946012 655115578 /nfs/dbraw/zinc/11/55/78/655115578.db2.gz GFAZKFVZSMQIPH-CYBMUJFWSA-N 1 0 399.333 2.605 20 0 GFADRO O=C(Nc1ccc(Br)cc1)C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000106963240 655115827 /nfs/dbraw/zinc/11/58/27/655115827.db2.gz QEYVOEOFJWKQMH-CQSZACIVSA-N 1 0 380.286 2.521 20 0 GFADRO COC[C@H](C[NH2+]Cc1cc(Br)c(OC(F)F)c(OC)c1)OC ZINC000272675353 655118589 /nfs/dbraw/zinc/11/85/89/655118589.db2.gz LOALPSKMWWVTAJ-JTQLQIEISA-N 1 0 384.217 2.810 20 0 GFADRO C[C@@H]([NH2+]Cc1cc(Cl)c2c(c1)OCCO2)c1cccc(S(N)(=O)=O)c1 ZINC000272680525 655119033 /nfs/dbraw/zinc/11/90/33/655119033.db2.gz MUIBAYRHTLGQCE-LLVKDONJSA-N 1 0 382.869 2.609 20 0 GFADRO O=C(CSc1nncs1)NCC1CC[NH+](Cc2ccccc2F)CC1 ZINC000107266564 655119306 /nfs/dbraw/zinc/11/93/06/655119306.db2.gz ZHTFZUUKMDASOE-UHFFFAOYSA-N 1 0 380.514 2.798 20 0 GFADRO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)c2cc(Br)cs2)CC1 ZINC000107281771 655119412 /nfs/dbraw/zinc/11/94/12/655119412.db2.gz KTZRMMWXWGSBBR-AWEZNQCLSA-N 1 0 386.359 2.753 20 0 GFADRO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)Cc2cccc(Br)c2)CC1 ZINC000107284079 655119440 /nfs/dbraw/zinc/11/94/40/655119440.db2.gz CNIRVCRZRUGXLJ-GOSISDBHSA-N 1 0 394.357 2.620 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)CNC(=O)c1c(F)cccc1Cl)c1cccs1 ZINC000107341965 655120035 /nfs/dbraw/zinc/12/00/35/655120035.db2.gz YFRZSVBSMRJOLF-ZDUSSCGKSA-N 1 0 383.876 2.690 20 0 GFADRO Cc1ccc(Br)c(NC(=O)C(=O)NCC2(C)CC[NH+](C)CC2)c1 ZINC000272771226 655121070 /nfs/dbraw/zinc/12/10/70/655121070.db2.gz ZUACKERHKLJJAX-UHFFFAOYSA-N 1 0 382.302 2.544 20 0 GFADRO C[N@H+](CCc1ccc(Br)cc1)CCc1ccc(S(N)(=O)=O)cc1 ZINC000107912188 655126179 /nfs/dbraw/zinc/12/61/79/655126179.db2.gz IKEVYGLMVFEYHF-UHFFFAOYSA-N 1 0 397.338 2.814 20 0 GFADRO CCOCCOc1ccc(Br)cc1/C=C/C(=O)NCCCC[NH3+] ZINC000273029280 655128082 /nfs/dbraw/zinc/12/80/82/655128082.db2.gz ZBNZNFQHZBEVBI-VMPITWQZSA-N 1 0 385.302 2.733 20 0 GFADRO CN(Cc1ccccc1F)C(=O)C[NH2+][C@H](CO)c1ccc(Br)cc1 ZINC000273048836 655128558 /nfs/dbraw/zinc/12/85/58/655128558.db2.gz FCUCOTBXLIJNRA-QGZVFWFLSA-N 1 0 395.272 2.870 20 0 GFADRO O=C(CCCCc1ccc(I)cc1)NC[C@@H]1CC[NH2+]C1 ZINC000273051818 655128812 /nfs/dbraw/zinc/12/88/12/655128812.db2.gz RBYPPIQAIPXLKB-CQSZACIVSA-N 1 0 386.277 2.730 20 0 GFADRO O=C(Cc1csc(-c2cccc(Br)c2)n1)NC[C@H]1CC[NH2+]C1 ZINC000273086090 655129883 /nfs/dbraw/zinc/12/98/83/655129883.db2.gz YWWQPGGCMMGGCW-NSHDSACASA-N 1 0 380.311 2.841 20 0 GFADRO C[N@@H+]1CCC[C@@H](CNC(=O)COc2ccc(Br)cc2Cl)C1 ZINC000108327342 655131213 /nfs/dbraw/zinc/13/12/13/655131213.db2.gz ACPSNZFDLQSIDI-NSHDSACASA-N 1 0 375.694 2.939 20 0 GFADRO O=S(=O)(c1c(Cl)nc2ccccn21)N1CCC[C@H]([NH+]2CCCCC2)C1 ZINC000108401340 655132081 /nfs/dbraw/zinc/13/20/81/655132081.db2.gz UXBIQPBCESVCRJ-AWEZNQCLSA-N 1 0 382.917 2.627 20 0 GFADRO C[N@@H+]1CCC[C@@H](CNC(=O)Nc2cc3c(cc2Br)OCCO3)C1 ZINC000108498096 655134357 /nfs/dbraw/zinc/13/43/57/655134357.db2.gz BXKUOBDXPUGBAK-NSHDSACASA-N 1 0 384.274 2.684 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000108619650 655135792 /nfs/dbraw/zinc/13/57/92/655135792.db2.gz HSDSSFAXCZNPCG-HNNXBMFYSA-N 1 0 394.313 2.605 20 0 GFADRO O[C@H](COc1cc(Cl)ccc1Cl)C[NH+]1CCC(C2OCCO2)CC1 ZINC000171236854 655150036 /nfs/dbraw/zinc/15/00/36/655150036.db2.gz DPYHYLRFMNBRPD-AWEZNQCLSA-N 1 0 376.280 2.818 20 0 GFADRO O=C(Nc1ccc(SC(F)(F)F)nc1)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000839173779 661074376 /nfs/dbraw/zinc/07/43/76/661074376.db2.gz JXHHZALTCQAADI-LBPRGKRZSA-N 1 0 378.420 2.662 20 0 GFADRO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)CN1CCC[C@H]([NH+](C)C)C1 ZINC000109806764 655152410 /nfs/dbraw/zinc/15/24/10/655152410.db2.gz AVECPECRGGHJOC-LBPRGKRZSA-N 1 0 388.295 2.745 20 0 GFADRO O=C(NCCC[NH+]1CCCCC1)Nc1ccncc1I ZINC000273677327 655153821 /nfs/dbraw/zinc/15/38/21/655153821.db2.gz FJYZFUSYBBNBGK-UHFFFAOYSA-N 1 0 388.253 2.684 20 0 GFADRO O=C(NCC1([NH+]2CCCCC2)CCOCC1)c1cc(Br)ccc1O ZINC000109981753 655154557 /nfs/dbraw/zinc/15/45/57/655154557.db2.gz IFXUQMOYGLXOIF-UHFFFAOYSA-N 1 0 397.313 2.920 20 0 GFADRO C[N@@H+]1CCCC[C@@H]1CN1CCN(CCOc2cccc(Br)c2)CC1 ZINC000111231209 655166797 /nfs/dbraw/zinc/16/67/97/655166797.db2.gz HJSCKBRBNNNYBI-GOSISDBHSA-N 1 0 396.373 2.930 20 0 GFADRO C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@H+](C)CCn1cccn1 ZINC000111281094 655167701 /nfs/dbraw/zinc/16/77/01/655167701.db2.gz JABZKJBWXPLNJU-AWEZNQCLSA-N 1 0 379.302 2.625 20 0 GFADRO COc1ccc(Cl)cc1NC(=O)CN1C[C@@H]([NH+]2CCCC2)[C@@H](SC)C1 ZINC000273998556 655168219 /nfs/dbraw/zinc/16/82/19/655168219.db2.gz JMTSRJLDMHJGOF-WBVHZDCISA-N 1 0 383.945 2.799 20 0 GFADRO CC[C@](C)(O)C[NH2+]Cc1cc(I)c(OC)c(OC)c1 ZINC000111384303 655172407 /nfs/dbraw/zinc/17/24/07/655172407.db2.gz GSXKFOXLAYTARB-AWEZNQCLSA-N 1 0 379.238 2.559 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1CCNC(=O)COc1ccc(C=O)cc1Br ZINC000173508202 655173753 /nfs/dbraw/zinc/17/37/53/655173753.db2.gz LNUMPNVKMZHVIZ-CYBMUJFWSA-N 1 0 383.286 2.631 20 0 GFADRO Brc1cc(-c2nc([C@H]3C[N@@H+]4CCC[C@@H]4CO3)no2)cc2c1OCO2 ZINC000274113375 655173800 /nfs/dbraw/zinc/17/38/00/655173800.db2.gz VURTUPDQPLSPFG-ZWNOBZJWSA-N 1 0 394.225 2.764 20 0 GFADRO C[C@@H](CNC(=O)COc1ccc(C=O)cc1Br)C[NH+]1CCCCC1 ZINC000173672784 655175976 /nfs/dbraw/zinc/17/59/76/655175976.db2.gz BAPWPKHACVVKLS-AWEZNQCLSA-N 1 0 397.313 2.879 20 0 GFADRO CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)Nc2cccc(Br)c2C)C1 ZINC000173712230 655177123 /nfs/dbraw/zinc/17/71/23/655177123.db2.gz HYQHDYMBNWSQLN-ZDUSSCGKSA-N 1 0 382.302 2.639 20 0 GFADRO Cn1ncc(C(=O)NCc2ccccc2C[NH+]2CCCC2)c1Br ZINC000274284355 655183662 /nfs/dbraw/zinc/18/36/62/655183662.db2.gz ZJBUIXKEHRNVTB-UHFFFAOYSA-N 1 0 377.286 2.708 20 0 GFADRO COC(=O)CN1CCC([NH2+][C@@H](C)[C@@H](O)c2c(Cl)cccc2Cl)CC1 ZINC000274322407 655184802 /nfs/dbraw/zinc/18/48/02/655184802.db2.gz DCANMRCNXAKGCH-APPDUMDISA-N 1 0 375.296 2.642 20 0 GFADRO COCCC[NH+]1CCC(NC(=O)[C@H](C)Oc2ccccc2Br)CC1 ZINC000112284306 655186694 /nfs/dbraw/zinc/18/66/94/655186694.db2.gz QHSWYCVAEAYLDE-AWEZNQCLSA-N 1 0 399.329 2.834 20 0 GFADRO CCC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2ccc(Br)s2)C1 ZINC000173947739 655187608 /nfs/dbraw/zinc/18/76/08/655187608.db2.gz DKJYFNBHHKGVIG-NSHDSACASA-N 1 0 381.361 2.863 20 0 GFADRO NC(=O)[C@@H]1C[N@H+](C[C@H](O)c2ccccc2Br)C[C@H]1c1ccccc1 ZINC000839640185 661098062 /nfs/dbraw/zinc/09/80/62/661098062.db2.gz HQCYUEVWZLPYSE-JZXOWHBKSA-N 1 0 389.293 2.683 20 0 GFADRO CC(C)[C@@H](CNC(=O)COc1ccc(Cl)c(Cl)c1)[NH+]1CCN(C)CC1 ZINC000112914288 655199565 /nfs/dbraw/zinc/19/95/65/655199565.db2.gz XMVKFDUDCLAPJL-QGZVFWFLSA-N 1 0 388.339 2.760 20 0 GFADRO C[NH+](C)CCN1C[C@H](C(=O)Nc2ccccc2SC(F)(F)F)CC1=O ZINC000174455713 655203068 /nfs/dbraw/zinc/20/30/68/655203068.db2.gz IZODZFJOIKEBOT-LLVKDONJSA-N 1 0 375.416 2.647 20 0 GFADRO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)c2ccc(Br)s2)C1 ZINC000839697408 661100263 /nfs/dbraw/zinc/10/02/63/661100263.db2.gz YPCVSTLKNBZHOZ-GFCCVEGCSA-N 1 0 385.327 2.884 20 0 GFADRO CC(C)(C)n1cc(C[NH2+]CCNC(=O)c2cccc(Br)c2)cn1 ZINC000113354445 655208305 /nfs/dbraw/zinc/20/83/05/655208305.db2.gz XNKJKYCIWAWVLZ-UHFFFAOYSA-N 1 0 379.302 2.920 20 0 GFADRO CC(=O)Nc1ccc(C[NH2+]CCNC(=O)c2cccc(Br)c2)cc1 ZINC000113354543 655208492 /nfs/dbraw/zinc/20/84/92/655208492.db2.gz VWQDCGVDAWDHJI-UHFFFAOYSA-N 1 0 390.281 2.927 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2cc(Cl)c(N)c(Cl)c2)C[C@H]1C ZINC000839499037 661087918 /nfs/dbraw/zinc/08/79/18/661087918.db2.gz NCGJOOMHALHIMY-PWSUYJOCSA-N 1 0 387.311 2.845 20 0 GFADRO C[NH+](C)C[C@H]1CCN(Cc2noc(Cc3ccc(Br)cc3)n2)C1 ZINC000113514755 655211805 /nfs/dbraw/zinc/21/18/05/655211805.db2.gz XRBDTPOJPNKNIR-CQSZACIVSA-N 1 0 379.302 2.806 20 0 GFADRO O=S(=O)(N1CCC(C[NH2+][C@H]2CCc3ccc(F)cc32)CC1)C(F)(F)F ZINC000175009684 655212490 /nfs/dbraw/zinc/21/24/90/655212490.db2.gz PJAFCISSBRNFOE-HNNXBMFYSA-N 1 0 380.407 2.964 20 0 GFADRO O[C@@H](COCc1cccs1)C[NH+]1CCC(Oc2cncc(Cl)n2)CC1 ZINC000275046287 655213590 /nfs/dbraw/zinc/21/35/90/655213590.db2.gz JAPGENMZHIJXSC-CYBMUJFWSA-N 1 0 383.901 2.612 20 0 GFADRO COc1cc(S(=O)(=O)NCCC[NH+]2CCCCC2)ccc1Br ZINC000175197803 655215311 /nfs/dbraw/zinc/21/53/11/655215311.db2.gz XTYNZCSHRXGHMD-UHFFFAOYSA-N 1 0 391.331 2.612 20 0 GFADRO COc1ccc(C[N@@H+]2CC[C@@H](C(=O)NCC(F)(F)F)C2)cc1Br ZINC000275086095 655215918 /nfs/dbraw/zinc/21/59/18/655215918.db2.gz GHEXTKXXXUIVEP-LLVKDONJSA-N 1 0 395.219 2.958 20 0 GFADRO NC(=O)C[C@H]1CCC[N@H+](Cc2nnc(-c3ccccc3Br)o2)C1 ZINC000175273052 655217448 /nfs/dbraw/zinc/21/74/48/655217448.db2.gz ALOVORZRQYBDGR-LLVKDONJSA-N 1 0 379.258 2.587 20 0 GFADRO CN(Cc1ccc(Br)cc1)C(=O)NCC1([NH+](C)C)CCOCC1 ZINC000114036956 655217505 /nfs/dbraw/zinc/21/75/05/655217505.db2.gz WZKLTIVSKQHYKG-UHFFFAOYSA-N 1 0 384.318 2.701 20 0 GFADRO Cn1c(CN2CC[NH+](C3CCOCC3)CC2)nc2ccc(Br)cc21 ZINC000275118928 655217995 /nfs/dbraw/zinc/21/79/95/655217995.db2.gz NUACWJLWIPKTSW-UHFFFAOYSA-N 1 0 393.329 2.632 20 0 GFADRO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)Nc1cc(Cl)c(N)c(Cl)c1 ZINC000839544533 661090805 /nfs/dbraw/zinc/09/08/05/661090805.db2.gz UOAGOOQLKNIACL-CYBMUJFWSA-N 1 0 387.311 2.751 20 0 GFADRO O=C(Nc1nc(-c2cccs2)cs1)C(=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000175981822 655231048 /nfs/dbraw/zinc/23/10/48/655231048.db2.gz UKAIWTZQUVGEAS-UHFFFAOYSA-N 1 0 376.507 2.507 20 0 GFADRO C[C@@H](NC(=O)C[N@H+](CCO)C1CCOCC1)c1ccc(Cl)c(Cl)c1 ZINC000275505450 655239120 /nfs/dbraw/zinc/23/91/20/655239120.db2.gz HHIHKVXXHXIGGL-GFCCVEGCSA-N 1 0 375.296 2.644 20 0 GFADRO CSc1nnc(CNC(=O)NC[C@H](c2ccc(C)o2)[NH+]2CCCC2)s1 ZINC000275545406 655241010 /nfs/dbraw/zinc/24/10/10/655241010.db2.gz ZQAMJSAQWNGLTO-GFCCVEGCSA-N 1 0 381.527 2.798 20 0 GFADRO C[NH+](C)CC[C@H](NC(=O)c1cc(I)c[nH]1)C(C)(C)C ZINC000116231206 655246651 /nfs/dbraw/zinc/24/66/51/655246651.db2.gz ZAFDEVFVEBVRQO-LBPRGKRZSA-N 1 0 377.270 2.716 20 0 GFADRO C[C@H]1CCC[N@@H+]1CCNC(=O)c1cn(Cc2ccc(Cl)cc2Cl)nn1 ZINC000839728068 661103037 /nfs/dbraw/zinc/10/30/37/661103037.db2.gz IVGBOJBRJYYINL-LBPRGKRZSA-N 1 0 382.295 2.847 20 0 GFADRO CC[NH+](CC)[C@H](C)CNC(=O)c1cc(=O)[nH]c2c(Br)cccc12 ZINC000176486489 655247360 /nfs/dbraw/zinc/24/73/60/655247360.db2.gz OMDGQHSCYMMGGP-LLVKDONJSA-N 1 0 380.286 2.751 20 0 GFADRO C[NH+](C)CC[C@H](NC(=O)CNC(=O)c1cccc(Br)c1)C(C)(C)C ZINC000116466975 655248423 /nfs/dbraw/zinc/24/84/23/655248423.db2.gz HNHVGLOGVVNWAU-HNNXBMFYSA-N 1 0 398.345 2.662 20 0 GFADRO Cn1ccnc1CN(C(=O)c1cc(Cl)c(Cl)[nH]1)[C@@H]1CC12CC[NH2+]CC2 ZINC000275788734 655251270 /nfs/dbraw/zinc/25/12/70/655251270.db2.gz UCLOLQVEHVWJCD-CYBMUJFWSA-N 1 0 382.295 2.840 20 0 GFADRO O=C(NCC[N@@H+]1CCCOCC1)Nc1nc(-c2cccc(Cl)c2)ns1 ZINC000275832505 655253175 /nfs/dbraw/zinc/25/31/75/655253175.db2.gz YGAWIYGQUHQXKA-UHFFFAOYSA-N 1 0 381.889 2.702 20 0 GFADRO CCO[C@@H]1C[C@@]([NH3+])(C(=O)N[C@H]2CCOc3ccc(Br)cc32)C1(C)C ZINC000275870112 655254172 /nfs/dbraw/zinc/25/41/72/655254172.db2.gz ZUGSDFCLIGAGBO-JCKWVBRZSA-N 1 0 397.313 2.921 20 0 GFADRO CCOc1cc(C[NH2+]C[C@]2(O)CCSC2)cc(Br)c1OC ZINC000176756071 655255163 /nfs/dbraw/zinc/25/51/63/655255163.db2.gz LPWHVGFIYDANIO-OAHLLOKOSA-N 1 0 376.316 2.814 20 0 GFADRO CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C[NH+](C)C)cc1Cl ZINC000275949690 655256281 /nfs/dbraw/zinc/25/62/81/655256281.db2.gz ZECIWGDHBJPORW-ZDUSSCGKSA-N 1 0 375.922 2.553 20 0 GFADRO Cc1csc(C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@@H]32)c1I ZINC000276139216 655264279 /nfs/dbraw/zinc/26/42/79/655264279.db2.gz CBRSDAYKOGPEFT-MNOVXSKESA-N 1 0 390.290 2.827 20 0 GFADRO CCCN(CCC[NH+](C)C)C(=O)Nc1ccncc1I ZINC000276137870 655264325 /nfs/dbraw/zinc/26/43/25/655264325.db2.gz DOTXWBMPIVRCEF-UHFFFAOYSA-N 1 0 390.269 2.882 20 0 GFADRO Cc1cccc(C(=O)N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c1I ZINC000177090939 655268083 /nfs/dbraw/zinc/26/80/83/655268083.db2.gz RBVHGMHNUKTZLB-NEPJUHHUSA-N 1 0 384.261 2.955 20 0 GFADRO Cc1ccc(I)c(C(=O)N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)c1 ZINC000177098870 655268595 /nfs/dbraw/zinc/26/85/95/655268595.db2.gz JCUHJRUFHNHNNQ-RYUDHWBXSA-N 1 0 384.261 2.955 20 0 GFADRO CCOC(=O)Cc1csc(NC(=O)C[NH2+][C@H]2CCCC[C@H]2SCC)n1 ZINC000276261635 655269287 /nfs/dbraw/zinc/26/92/87/655269287.db2.gz RFAWJIFQVQFSKL-UONOGXRCSA-N 1 0 385.555 2.841 20 0 GFADRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)Nc2cccc(Br)c2)C1 ZINC000118113238 655272157 /nfs/dbraw/zinc/27/21/57/655272157.db2.gz NFPGOQDHZUDUCN-CYBMUJFWSA-N 1 0 382.302 2.624 20 0 GFADRO C[NH+]1CCC(NC(=O)Nc2ccc(F)cc2I)CC1 ZINC000177282921 655272888 /nfs/dbraw/zinc/27/28/88/655272888.db2.gz KQXBJFDSNXXBNN-UHFFFAOYSA-N 1 0 377.201 2.646 20 0 GFADRO C[C@@H]([NH2+]C1(CNC(=O)[C@H]2CSCCS2)CCOCC1)c1ccccc1 ZINC000177287138 655273432 /nfs/dbraw/zinc/27/34/32/655273432.db2.gz MWGRKLDAXPGRGS-NVXWUHKLSA-N 1 0 380.579 2.851 20 0 GFADRO CCOc1ccc(S(=O)(=O)NCCC[NH+]2CCCC2)cc1Br ZINC000177434787 655277107 /nfs/dbraw/zinc/27/71/07/655277107.db2.gz VEIXAHCJTSCVIW-UHFFFAOYSA-N 1 0 391.331 2.612 20 0 GFADRO CC1(C)C[N@H+](CCC(=O)Nc2sc3c(c2C(N)=O)CCCC3)CCS1 ZINC000177516623 655278942 /nfs/dbraw/zinc/27/89/42/655278942.db2.gz KHYOQTNVKPEUOW-UHFFFAOYSA-N 1 0 381.567 2.882 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)c2cc(=O)[nH]c3ccc(Br)cc32)C1 ZINC000177573120 655281857 /nfs/dbraw/zinc/28/18/57/655281857.db2.gz RJUDWYPDJFVHCO-CHWSQXEVSA-N 1 0 392.297 2.893 20 0 GFADRO C[NH+](C)Cc1ccc(CNC(=O)c2cc(I)c[nH]2)cc1 ZINC000118759021 655281901 /nfs/dbraw/zinc/28/19/01/655281901.db2.gz AMWMXVTVUIZFTC-UHFFFAOYSA-N 1 0 383.233 2.611 20 0 GFADRO COc1cc(C[NH2+]C2(CO)CCCC2)cc(I)c1OC ZINC000177591889 655283161 /nfs/dbraw/zinc/28/31/61/655283161.db2.gz HOZGZXALGSCTSF-UHFFFAOYSA-N 1 0 391.249 2.703 20 0 GFADRO OCC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000276680628 655283385 /nfs/dbraw/zinc/28/33/85/655283385.db2.gz LQOCIFMJBPRYTE-YOEHRIQHSA-N 1 0 383.330 2.926 20 0 GFADRO Cn1cc([C@H]2CSCCN2C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)cn1 ZINC000276693965 655284136 /nfs/dbraw/zinc/28/41/36/655284136.db2.gz VSXJPSVHPOYNBT-JKSUJKDBSA-N 1 0 379.555 2.584 20 0 GFADRO CN(C[C@@H](O)c1cccc(Br)c1)C(=O)Cn1cnc2c1CCCC2 ZINC000839826761 661111517 /nfs/dbraw/zinc/11/15/17/661111517.db2.gz UITRFFUCHVYRGA-QGZVFWFLSA-N 1 0 392.297 2.716 20 0 GFADRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)Cc1cccc(I)c1 ZINC000119094876 655290008 /nfs/dbraw/zinc/29/00/08/655290008.db2.gz TVOLPFKEXHLTHT-DOMZBBRYSA-N 1 0 386.277 2.632 20 0 GFADRO C[C@@H](CC(=O)N(C)C)[NH2+]CC1(c2cccc(Br)c2)CCOCC1 ZINC000177914083 655291121 /nfs/dbraw/zinc/29/11/21/655291121.db2.gz DSKSWFRXEJNPLD-AWEZNQCLSA-N 1 0 383.330 2.954 20 0 GFADRO C[C@H]([NH2+]C[C@H]1CCn2ncc(C(N)=O)c2C1)c1ccc(Br)s1 ZINC000276942965 655294425 /nfs/dbraw/zinc/29/44/25/655294425.db2.gz NQYOKMCAFYPNSX-UWVGGRQHSA-N 1 0 383.315 2.719 20 0 GFADRO C[C@@H]([NH2+]CC1CCN(S(C)(=O)=O)CC1)c1cc(Br)ccc1F ZINC000178264246 655301042 /nfs/dbraw/zinc/30/10/42/655301042.db2.gz JHVGDFROAPMGEL-LLVKDONJSA-N 1 0 393.322 2.910 20 0 GFADRO OC[C@@H](C[NH2+]C1CCC2(CC1)OCCO2)Cc1ccccc1Br ZINC000277083166 655302280 /nfs/dbraw/zinc/30/22/80/655302280.db2.gz JUPUYFCPPFJWKO-CQSZACIVSA-N 1 0 384.314 2.875 20 0 GFADRO Cc1c(I)cccc1C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000119397476 655302748 /nfs/dbraw/zinc/30/27/48/655302748.db2.gz BOYPWGXUJGAWBS-UHFFFAOYSA-N 1 0 384.261 2.956 20 0 GFADRO Cc1ccc(Br)c(NC(=O)C(=O)N2CCC[C@@H]([NH+](C)C)CC2)c1 ZINC000277164084 655305946 /nfs/dbraw/zinc/30/59/46/655305946.db2.gz SGYFNJLTMFQQBS-CYBMUJFWSA-N 1 0 382.302 2.639 20 0 GFADRO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)c1cc(Br)nn1C ZINC000277205169 655307636 /nfs/dbraw/zinc/30/76/36/655307636.db2.gz JNOQYGMETIBXAD-HIFRSBDPSA-N 1 0 389.297 2.939 20 0 GFADRO C[NH+](C)[C@H]1CCCN(C(=O)c2cc(Br)c3c(c2)OCCO3)CC1 ZINC000277269697 655310308 /nfs/dbraw/zinc/31/03/08/655310308.db2.gz MGWDMEPZXYGABK-ZDUSSCGKSA-N 1 0 383.286 2.777 20 0 GFADRO COC(=O)c1ccc(C[NH2+]C[C@H](CO)Cc2ccccc2Br)[nH]1 ZINC000277355571 655314406 /nfs/dbraw/zinc/31/44/06/655314406.db2.gz DQLFUFXQQADVOA-GFCCVEGCSA-N 1 0 381.270 2.505 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2cccc(C)c2Br)[C@H](C)C1 ZINC000119773476 655314654 /nfs/dbraw/zinc/31/46/54/655314654.db2.gz JCRFGLKZFKKLCG-UKRRQHHQSA-N 1 0 396.329 2.885 20 0 GFADRO C[NH+](C)[C@@H]1CCCN(CCS(=O)(=O)c2cccc(Br)c2)CC1 ZINC000277363128 655314987 /nfs/dbraw/zinc/31/49/87/655314987.db2.gz XEWRWYGFJAQUSE-OAHLLOKOSA-N 1 0 389.359 2.639 20 0 GFADRO Cc1[nH]cc(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c(=O)c1Br ZINC000119799035 655315843 /nfs/dbraw/zinc/31/58/43/655315843.db2.gz CMWTWPTXHGXKAK-WFASDCNBSA-N 1 0 394.313 2.947 20 0 GFADRO COc1ccc(O)c(C[NH+]2CCN(c3ccc(Br)cn3)CC2)c1 ZINC000179680284 655315953 /nfs/dbraw/zinc/31/59/53/655315953.db2.gz MKDWENNUORVMON-UHFFFAOYSA-N 1 0 378.270 2.881 20 0 GFADRO Cc1c(Br)cc(C(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)c(=O)n1C ZINC000277381052 655316060 /nfs/dbraw/zinc/31/60/60/655316060.db2.gz IKMXROGDRLZVSQ-CYBMUJFWSA-N 1 0 398.345 2.698 20 0 GFADRO C[C@@H](C(=O)Nc1ccc(Br)cc1)[N@@H+]1CCC[C@H](Cn2ccnn2)C1 ZINC000119820768 655316796 /nfs/dbraw/zinc/31/67/96/655316796.db2.gz ZDVJMOWCBNSXNB-KBPBESRZSA-N 1 0 392.301 2.780 20 0 GFADRO CC1(C)CN(CCNC(=O)C[C@H](O)c2cc(Cl)cc(Cl)c2)CCO1 ZINC000179774623 655317168 /nfs/dbraw/zinc/31/71/68/655317168.db2.gz JBGIRZZCZAEZQJ-HNNXBMFYSA-N 1 0 375.296 2.644 20 0 GFADRO CC[NH+]1CCN([C@H](C)CNC(=O)C[C@@H](O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000179882649 655318893 /nfs/dbraw/zinc/31/88/93/655318893.db2.gz OGHMRRUAVXPSNW-CXAGYDPISA-N 1 0 388.339 2.559 20 0 GFADRO O=C(Nc1cccc(C[NH2+][C@@H]2CCS(=O)(=O)C2)c1)c1ccc(Cl)cc1 ZINC000119888032 655319802 /nfs/dbraw/zinc/31/98/02/655319802.db2.gz UZJKQSFPMRAMOG-QGZVFWFLSA-N 1 0 378.881 2.869 20 0 GFADRO C[NH+](C)CCn1ccc(NC(=O)CCc2ccc(Br)cc2F)n1 ZINC000119977162 655323818 /nfs/dbraw/zinc/32/38/18/655323818.db2.gz VPCWHINVFKHFAZ-UHFFFAOYSA-N 1 0 383.265 2.918 20 0 GFADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)c1ccc(Br)cc1F ZINC000278898532 655326456 /nfs/dbraw/zinc/32/64/56/655326456.db2.gz RIFMJZKSCAFDKR-GFCCVEGCSA-N 1 0 385.277 2.914 20 0 GFADRO CSC[C@@H](O)C[NH2+][C@H](CO)c1ccc(Br)cc1C(F)(F)F ZINC000280745781 655330117 /nfs/dbraw/zinc/33/01/17/655330117.db2.gz MXCOMAQERWZDEN-JOYOIKCWSA-N 1 0 388.249 2.815 20 0 GFADRO Cc1c([C@H](C)[NH2+]CCOCCS(C)(=O)=O)cnn1-c1cccc(Cl)c1 ZINC000181146446 655332975 /nfs/dbraw/zinc/33/29/75/655332975.db2.gz OBVOZMKGOKIXKV-ZDUSSCGKSA-N 1 0 385.917 2.546 20 0 GFADRO OC[C@]1([NH2+]C[C@H](O)c2ccc(F)c(Br)c2)CCOc2ccccc21 ZINC000281611931 655336281 /nfs/dbraw/zinc/33/62/81/655336281.db2.gz GRSLICJHPGCYIW-FUHWJXTLSA-N 1 0 396.256 2.882 20 0 GFADRO CC(C)CO[C@@H]1C[C@@H]([NH2+]C2CCN(S(=O)(=O)C(F)(F)F)CC2)C1(C)C ZINC000181884288 655340930 /nfs/dbraw/zinc/34/09/30/655340930.db2.gz OZEQSAFKZZWBBE-ZIAGYGMSSA-N 1 0 386.480 2.730 20 0 GFADRO CC[C@@H](Cc1cccc(Br)c1)C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000289291281 655345606 /nfs/dbraw/zinc/34/56/06/655345606.db2.gz RDYDIHVCEBXQQJ-FUHWJXTLSA-N 1 0 394.357 2.524 20 0 GFADRO C[C@H]1C[N@H+](CCCNCc2cn3ccc(Br)cc3n2)CCCO1 ZINC000289411561 655348392 /nfs/dbraw/zinc/34/83/92/655348392.db2.gz BMTLEBTUZCBWIA-AWEZNQCLSA-N 1 0 381.318 2.687 20 0 GFADRO C[NH+]1CCN(Cc2ccc(CNC(=O)c3cc(Cl)c(Cl)[nH]3)cc2)CC1 ZINC000121189033 655348522 /nfs/dbraw/zinc/34/85/22/655348522.db2.gz CFBNQYKZMABLNV-UHFFFAOYSA-N 1 0 381.307 2.999 20 0 GFADRO CCCS(=O)(=O)CC[NH2+][C@@]1(CNC(=O)OC(C)(C)C)CCCC[C@@H]1C ZINC000121272955 655348917 /nfs/dbraw/zinc/34/89/17/655348917.db2.gz LFPNBZUPEBCRLM-MAUKXSAKSA-N 1 0 376.563 2.874 20 0 GFADRO COC(=O)c1cc(S(=O)(=O)NCC[C@@H](C)[NH+]2CCCCC2)ccc1Cl ZINC000183294230 655350291 /nfs/dbraw/zinc/35/02/91/655350291.db2.gz OQELPZCIRJAUFV-CYBMUJFWSA-N 1 0 388.917 2.669 20 0 GFADRO C[C@@H](C[NH2+][C@H](CNC(=O)OC(C)(C)C)C1CCCCC1)CS(C)(=O)=O ZINC000183323289 655350591 /nfs/dbraw/zinc/35/05/91/655350591.db2.gz OFNGBITYAUYRPM-GOEBONIOSA-N 1 0 376.563 2.730 20 0 GFADRO CN1CC[NH+](CCC(C)(C)NC(=O)[C@@H](O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000184182029 655355608 /nfs/dbraw/zinc/35/56/08/655355608.db2.gz BWPTVRAEKXFOQG-INIZCTEOSA-N 1 0 388.339 2.559 20 0 GFADRO C[N@@H+]1CCC[C@]2(CCN(S(=O)(=O)c3sccc3Br)C2)C1 ZINC000292928804 655357265 /nfs/dbraw/zinc/35/72/65/655357265.db2.gz YSOGEWMELAARMJ-ZDUSSCGKSA-N 1 0 379.345 2.617 20 0 GFADRO CS(=O)(=O)CC1CCC([NH2+]CCc2cc(Cl)c3c(c2)OCCO3)CC1 ZINC000293613788 655359894 /nfs/dbraw/zinc/35/98/94/655359894.db2.gz GUJUHQDCFNIYCK-UHFFFAOYSA-N 1 0 387.929 2.847 20 0 GFADRO C[C@@](CO)([NH2+]Cc1cccc(S(C)(=O)=O)c1)c1ccc(Br)cc1 ZINC000295609888 655366244 /nfs/dbraw/zinc/36/62/44/655366244.db2.gz DQFQSGUFVJWNFH-KRWDZBQOSA-N 1 0 398.322 2.850 20 0 GFADRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)N(C)Cc1cc(Cl)cc(Cl)c1 ZINC000298124016 655372478 /nfs/dbraw/zinc/37/24/78/655372478.db2.gz WVIMNAMWHDRIJS-WBMJQRKESA-N 1 0 386.323 2.750 20 0 GFADRO CS[C@H]1CN(CCC(=O)N2CCc3sccc3C2)C[C@@H]1[NH+]1CCCC1 ZINC000299369612 655375108 /nfs/dbraw/zinc/37/51/08/655375108.db2.gz QDDGIHSHCDTBLN-WMZOPIPTSA-N 1 0 379.595 2.535 20 0 GFADRO C[NH+](C)CCN(Cc1cccs1)S(=O)(=O)C1=Cc2ccccc2OC1 ZINC000188092113 655378075 /nfs/dbraw/zinc/37/80/75/655378075.db2.gz WHWOGTFHGXMNIA-UHFFFAOYSA-N 1 0 378.519 2.875 20 0 GFADRO C[N@@H+]1CCC[C@]2(CCN(Cn3c4ccc(Br)cc4oc3=O)C2)C1 ZINC000840085405 661130566 /nfs/dbraw/zinc/13/05/66/661130566.db2.gz DSVMJSSYJNTRTK-KRWDZBQOSA-N 1 0 380.286 2.732 20 0 GFADRO COc1ccc(Br)c(C(=O)Nc2cnn(C3CC[NH2+]CC3)c2)c1 ZINC000321808275 655382941 /nfs/dbraw/zinc/38/29/41/655382941.db2.gz VVADTBWYPIKZFE-UHFFFAOYSA-N 1 0 379.258 2.831 20 0 GFADRO COc1ccc(Br)cc1C(=O)Nc1cnn(C2CC[NH2+]CC2)c1 ZINC000323665041 655383893 /nfs/dbraw/zinc/38/38/93/655383893.db2.gz VNQQNIVZXCQRKG-UHFFFAOYSA-N 1 0 379.258 2.831 20 0 GFADRO O=S(=O)(c1c(Cl)nc2sccn21)N1CCC([NH+]2CCCCC2)CC1 ZINC000324795135 655384411 /nfs/dbraw/zinc/38/44/11/655384411.db2.gz OAAOORIBJITGDT-UHFFFAOYSA-N 1 0 388.946 2.688 20 0 GFADRO CCOC(=O)N1CCC([NH2+]Cc2ccc(C(=O)OC)cc2Br)CC1 ZINC000326247387 655384840 /nfs/dbraw/zinc/38/48/40/655384840.db2.gz ZEQNYUKXRVYGIR-UHFFFAOYSA-N 1 0 399.285 2.946 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)c1cc([N+](=O)[O-])ncc1Br)c1ccccc1 ZINC000326445963 655385002 /nfs/dbraw/zinc/38/50/02/655385002.db2.gz XOXYRKLCWLVCEQ-CQSZACIVSA-N 1 0 393.241 2.785 20 0 GFADRO CCC(CC)[C@@H](CNS(=O)(=O)c1cc(C)c(F)c([N+](=O)[O-])c1)[NH+](C)C ZINC000327482832 655386204 /nfs/dbraw/zinc/38/62/04/655386204.db2.gz JYTNVGBKYDTHFG-OAHLLOKOSA-N 1 0 375.466 2.687 20 0 GFADRO O=C1N[C@@]2(CCSC2)C(=O)N1C[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000349230829 655388680 /nfs/dbraw/zinc/38/86/80/655388680.db2.gz QICDAQZRETVZKJ-CRAIPNDOSA-N 1 0 379.913 2.904 20 0 GFADRO C[C@H](CN1C(=O)N[C@@H](c2ccc(Br)cc2)C1=O)C[NH+]1CCCC1 ZINC000349362895 655389406 /nfs/dbraw/zinc/38/94/06/655389406.db2.gz KVOLZYZLWGWVQB-WFASDCNBSA-N 1 0 380.286 2.774 20 0 GFADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)c3csc(-c4ccsc4)n3)CC2)C1 ZINC000365345198 655394193 /nfs/dbraw/zinc/39/41/93/655394193.db2.gz AGXVQMASILTYJE-HNNXBMFYSA-N 1 0 376.551 2.724 20 0 GFADRO C[N@@H+]1CC[C@@H](CSc2nnc(COc3c(Cl)cccc3Cl)n2N)C1 ZINC000191042513 655396735 /nfs/dbraw/zinc/39/67/35/655396735.db2.gz PEXUYRAFLHCMGH-SNVBAGLBSA-N 1 0 388.324 2.922 20 0 GFADRO C[N@@H+]1CCN(CCNC(=O)c2occc2Br)[C@@H](c2ccccc2)C1 ZINC000365922323 655396806 /nfs/dbraw/zinc/39/68/06/655396806.db2.gz QRFAAHUJVIPZNL-MRXNPFEDSA-N 1 0 392.297 2.761 20 0 GFADRO C[C@H]([NH2+]C[C@@H](O)COCC(F)(F)F)c1nnc(-c2cccc(F)c2)s1 ZINC000366596532 655400347 /nfs/dbraw/zinc/40/03/47/655400347.db2.gz KRCLHLJYUKIIPH-JOYOIKCWSA-N 1 0 379.379 2.935 20 0 GFADRO CC(C)[N@H+](C)CCNC(=O)c1nc(Br)ccc1Br ZINC000191735570 655400425 /nfs/dbraw/zinc/40/04/25/655400425.db2.gz IPRLHETZIHCERY-UHFFFAOYSA-N 1 0 379.096 2.677 20 0 GFADRO Cn1nc(Br)cc1C(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000192095541 655402405 /nfs/dbraw/zinc/40/24/05/655402405.db2.gz PRQYDYLTPNTAHX-OAHLLOKOSA-N 1 0 391.313 2.967 20 0 GFADRO CO[C@H](CS(=O)(=O)N(CC[NH+](C)C)Cc1ccsc1)c1ccccc1 ZINC000416559482 655403910 /nfs/dbraw/zinc/40/39/10/655403910.db2.gz QOUZCJLFOPJIHW-GOSISDBHSA-N 1 0 382.551 2.829 20 0 GFADRO CN(CCOc1ccc(Br)cc1)C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000418352275 655405701 /nfs/dbraw/zinc/40/57/01/655405701.db2.gz SRPKEZWTISMHAN-AWEZNQCLSA-N 1 0 384.318 2.859 20 0 GFADRO O=C(NC[C@H]1CCC[NH2+]1)N1CCC[C@@H]1c1ccc(I)cc1 ZINC000418357149 655405860 /nfs/dbraw/zinc/40/58/60/655405860.db2.gz CTBBELSAKAMDSX-HUUCEWRRSA-N 1 0 399.276 2.890 20 0 GFADRO O=S(=O)(c1cc(Br)ccc1Cl)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000420471322 655407543 /nfs/dbraw/zinc/40/75/43/655407543.db2.gz AHRSFLNJMUDNRI-CYBMUJFWSA-N 1 0 379.707 2.619 20 0 GFADRO C[NH+](C)[C@@]1(CNS(=O)(=O)c2ccc(Cl)c(F)c2Cl)CCSC1 ZINC000473853289 655414938 /nfs/dbraw/zinc/41/49/38/655414938.db2.gz HPYGEJGGUIQOFS-CYBMUJFWSA-N 1 0 387.329 2.848 20 0 GFADRO CS(=O)(=O)N[C@@H]1CCCC[C@H]1C[NH2+]Cc1csc(Br)c1 ZINC000512903690 655418224 /nfs/dbraw/zinc/41/82/24/655418224.db2.gz DUSJYUUAMYKPOF-NWDGAFQWSA-N 1 0 381.361 2.708 20 0 GFADRO COc1cc(OC)c(S(=O)(=O)NC[C@@H](C)[NH+]2CCCCC2)cc1Cl ZINC000201902658 655421246 /nfs/dbraw/zinc/42/12/46/655421246.db2.gz BLOLROQVNYEKKR-GFCCVEGCSA-N 1 0 376.906 2.510 20 0 GFADRO COc1ccc(S(=O)(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c(Cl)c1 ZINC000554703171 655423135 /nfs/dbraw/zinc/42/31/35/655423135.db2.gz NIIYKKDFNPGXLN-SUMWQHHRSA-N 1 0 384.929 2.986 20 0 GFADRO O[C@H](C[NH2+]C[C@@H]1CSCCS1)COc1cccc(Br)c1 ZINC000229602107 655423357 /nfs/dbraw/zinc/42/33/57/655423357.db2.gz RXESMGMPCFXEMQ-TZMCWYRMSA-N 1 0 378.357 2.627 20 0 GFADRO Cc1cc(Br)cn2cc(CNC(=O)c3ccc4c[nH+]cn4c3)nc12 ZINC000560640804 655423418 /nfs/dbraw/zinc/42/34/18/655423418.db2.gz UMBFJOIQQHTJIS-UHFFFAOYSA-N 1 0 384.237 2.983 20 0 GFADRO CCC(CC)(C[NH3+])NS(=O)(=O)c1cc(C(=O)OC)c(Cl)cc1Cl ZINC000236817917 655424906 /nfs/dbraw/zinc/42/49/06/655424906.db2.gz WJCIPCHVULXXPC-UHFFFAOYSA-N 1 0 383.297 2.576 20 0 GFADRO CN(C1CCC([NH3+])CC1)S(=O)(=O)c1cc(Br)ccc1Cl ZINC000237026028 655425387 /nfs/dbraw/zinc/42/53/87/655425387.db2.gz CUPRLVBNNYXJLC-UHFFFAOYSA-N 1 0 381.723 2.993 20 0 GFADRO Cc1cc(NC(=O)CNC(=O)C[C@H](C)C2CC[NH2+]CC2)ccc1Br ZINC000237404233 655426236 /nfs/dbraw/zinc/42/62/36/655426236.db2.gz YEEBUQPTEXRRLH-LBPRGKRZSA-N 1 0 396.329 2.838 20 0 GFADRO O=C(C[C@@H]1CSCC[NH2+]1)N(Cc1ccccc1)C[C@@H](O)c1ccsc1 ZINC000238108434 655426981 /nfs/dbraw/zinc/42/69/81/655426981.db2.gz AVAIIFADOGLHJE-QZTJIDSGSA-N 1 0 376.547 2.905 20 0 GFADRO CSc1ccc(OC[C@@H](O)C[NH2+]CCN2CCc3sccc3C2)cc1 ZINC000574257950 655427456 /nfs/dbraw/zinc/42/74/56/655427456.db2.gz JYDSDBDZOKUYKL-INIZCTEOSA-N 1 0 378.563 2.858 20 0 GFADRO C[C@H]1C[C@@H](NC(=O)C(=O)N(C)Cc2c(Cl)cccc2Cl)C[N@@H+]1C1CC1 ZINC000574318237 655428966 /nfs/dbraw/zinc/42/89/66/655428966.db2.gz YHCAPYXZORYQSY-NWDGAFQWSA-N 1 0 384.307 2.693 20 0 GFADRO C[C@H]([NH2+]C[C@H](O)CN1C[C@@H](C)O[C@@H](C)C1)c1ccc(Br)s1 ZINC000574896372 655433026 /nfs/dbraw/zinc/43/30/26/655433026.db2.gz NTWWTBXGKLOYFY-RNJOBUHISA-N 1 0 377.348 2.631 20 0 GFADRO O[C@@H](C[NH2+][C@H]1CCCC12CC2)COc1ccc(I)cc1 ZINC000575073042 655435096 /nfs/dbraw/zinc/43/50/96/655435096.db2.gz OVNSEQAVZTXWMM-ZFWWWQNUSA-N 1 0 387.261 2.953 20 0 GFADRO C[C@H]([NH2+]C[C@H]1CN2CCC[C@H]2CO1)c1ccc(I)cc1 ZINC000252541107 655435212 /nfs/dbraw/zinc/43/52/12/655435212.db2.gz DIRQIIYWOLHFMP-RCBQFDQVSA-N 1 0 386.277 2.805 20 0 GFADRO CCCC[N@H+](C)C[C@@H](C)NC(=O)C(=O)Nc1cc(F)ccc1Br ZINC000575876125 655439011 /nfs/dbraw/zinc/43/90/11/655439011.db2.gz HNIHDESKTDVYAU-LLVKDONJSA-N 1 0 388.281 2.763 20 0 GFADRO O=S(=O)(/C=C\c1ccc(Br)cc1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000255908546 655440988 /nfs/dbraw/zinc/44/09/88/655440988.db2.gz FCOQXFPYGWGTIK-LJEUOOAZSA-N 1 0 385.327 2.920 20 0 GFADRO C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1NC(=O)c1c(F)cccc1I ZINC000575981010 655441400 /nfs/dbraw/zinc/44/14/00/655441400.db2.gz SCNBQTPNJKTFIB-VYUIOLGVSA-N 1 0 376.213 2.547 20 0 GFADRO O=C(CCN1CC[NH2+]C[C@@H]1c1cccnc1)Nc1cccc(Br)c1 ZINC000261678753 655441871 /nfs/dbraw/zinc/44/18/71/655441871.db2.gz IFJJAWZSPLGMCJ-QGZVFWFLSA-N 1 0 389.297 2.819 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCCCN1S(=O)(=O)c1cccc(Cl)c1Br ZINC000261816358 655442477 /nfs/dbraw/zinc/44/24/77/655442477.db2.gz NAIDWUWCEZGHPV-ONGXEEELSA-N 1 0 381.723 2.993 20 0 GFADRO CCOc1cc(Br)c(CC(=O)N2C[C@H](C[NH3+])C[C@@H]2C)cc1OCC ZINC000261829206 655442499 /nfs/dbraw/zinc/44/24/99/655442499.db2.gz OECIFMNPJIMVDP-STQMWFEESA-N 1 0 399.329 2.985 20 0 GFADRO O=C1[C@@H]([NH2+][C@H](CO)c2cccc(Br)c2)CCCN1CC(F)(F)F ZINC000576101729 655443352 /nfs/dbraw/zinc/44/33/52/655443352.db2.gz OBZLHEAOPOWBCP-QWHCGFSZSA-N 1 0 395.219 2.625 20 0 GFADRO CCOC(=O)c1cc2cc(S(=O)(=O)NC3CCC([NH3+])CC3)ccc2s1 ZINC000262082506 655443842 /nfs/dbraw/zinc/44/38/42/655443842.db2.gz QQHODNHBUXIUIQ-UHFFFAOYSA-N 1 0 382.507 2.626 20 0 GFADRO Cc1csc(C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c1I ZINC000576148130 655444422 /nfs/dbraw/zinc/44/44/22/655444422.db2.gz HJZDSHVEYBICHH-GARJFASQSA-N 1 0 390.290 2.861 20 0 GFADRO COc1cc(NC(=O)c2conc2C(C)(C)[NH3+])cc(OC)c1Br ZINC000576647497 655450472 /nfs/dbraw/zinc/45/04/72/655450472.db2.gz FJQYVDVKILSKNB-UHFFFAOYSA-N 1 0 384.230 2.900 20 0 GFADRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N[C@H](C)c2ncc(Br)cn2)C1 ZINC000576709055 655451312 /nfs/dbraw/zinc/45/13/12/655451312.db2.gz MAGWGTSBJGTLJV-KGLIPLIRSA-N 1 0 398.349 2.967 20 0 GFADRO CN(C)c1ncc(C[NH2+]C[C@@H]2CCN(c3ccc(Br)cc3)C2)cn1 ZINC000263864121 655452860 /nfs/dbraw/zinc/45/28/60/655452860.db2.gz XZVDWFQKTWOXCY-AWEZNQCLSA-N 1 0 390.329 2.921 20 0 GFADRO O=C(CC[NH2+]C1(CO)Cc2ccccc2C1)Nc1ccc(Br)cc1 ZINC000576873998 655453610 /nfs/dbraw/zinc/45/36/10/655453610.db2.gz ZLYXIRQLMWCWSS-UHFFFAOYSA-N 1 0 389.293 2.897 20 0 GFADRO Cc1nc(NC(=O)NC[C@@H]2C[NH2+]CCO2)sc1Cc1cccc(Cl)c1 ZINC000576961448 655455423 /nfs/dbraw/zinc/45/54/23/655455423.db2.gz SZKJUEXIZYBUQO-AWEZNQCLSA-N 1 0 380.901 2.806 20 0 GFADRO CC(=O)NC1CCC([NH2+]CCC(=O)Nc2cccc(Br)c2)CC1 ZINC000576980843 655455853 /nfs/dbraw/zinc/45/58/53/655455853.db2.gz WMKRRFHOXCVQOM-UHFFFAOYSA-N 1 0 382.302 2.815 20 0 GFADRO CN(C)C(=O)CCC[NH+]1CCC(C(=O)Nc2cccc(Br)c2)CC1 ZINC000577072828 655457170 /nfs/dbraw/zinc/45/71/70/655457170.db2.gz CMYTWEPIEZXXQZ-UHFFFAOYSA-N 1 0 396.329 2.968 20 0 GFADRO O=C(Nc1ccn(-c2ccc(Cl)cc2Cl)n1)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000577364151 655457641 /nfs/dbraw/zinc/45/76/41/655457641.db2.gz YRJJBRRMYNZRBR-VXGBXAGGSA-N 1 0 380.279 3.252 20 0 GFADRO C[C@H]([NH3+])[C@H](C)NC(=O)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000577372463 655458042 /nfs/dbraw/zinc/45/80/42/655458042.db2.gz BQQZWKMSHNDBLT-UWVGGRQHSA-N 1 0 378.826 2.822 20 0 GFADRO O=C(Cc1ccccc1Br)NCC1([NH+]2CCCC2)CCOCC1 ZINC000264197987 655458635 /nfs/dbraw/zinc/45/86/35/655458635.db2.gz DBBIIPRAQUDIJZ-UHFFFAOYSA-N 1 0 381.314 2.753 20 0 GFADRO Cc1nc(-c2ccc(Cl)c(Cl)c2)n(C[N@H+]2CC[C@@H](C(=O)N(C)C)C2)n1 ZINC000840173695 661143795 /nfs/dbraw/zinc/14/37/95/661143795.db2.gz FKEINUAKFZMMBD-CYBMUJFWSA-N 1 0 382.295 2.928 20 0 GFADRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)CCSc2cccc(Cl)c2)C1 ZINC000577421552 655459223 /nfs/dbraw/zinc/45/92/23/655459223.db2.gz UYOFVFNVRGKEQT-AWEZNQCLSA-N 1 0 383.945 2.526 20 0 GFADRO COc1ccc(I)c(NC(=O)NC[C@H]2CCC[N@@H+]2C)c1 ZINC000264244610 655459612 /nfs/dbraw/zinc/45/96/12/655459612.db2.gz NUQMYRJMEGRIMS-SNVBAGLBSA-N 1 0 389.237 2.516 20 0 GFADRO O=C(NCC1([NH+]2CCCC2)CCOCC1)c1cc(Br)ccc1F ZINC000264295105 655460365 /nfs/dbraw/zinc/46/03/65/655460365.db2.gz QSCFNGJTFVIDAS-UHFFFAOYSA-N 1 0 385.277 2.963 20 0 GFADRO C[C@@H]([NH3+])C1CCN(C(=O)c2cn(-c3ccc(Br)cc3)cn2)CC1 ZINC000577491073 655460837 /nfs/dbraw/zinc/46/08/37/655460837.db2.gz GSJYOIKDEZUAIL-GFCCVEGCSA-N 1 0 377.286 2.834 20 0 GFADRO C[C@H]1[NH2+]CC[C@H]1C(=O)N1CCC(C(=O)Nc2ccccc2Br)CC1 ZINC000577725296 655465836 /nfs/dbraw/zinc/46/58/36/655465836.db2.gz MADZADPLAMBVHS-TZMCWYRMSA-N 1 0 394.313 2.624 20 0 GFADRO [NH3+][C@@H]1CCCC[C@@H]1CC(=O)NCCCNC(=O)c1ccc(Br)cc1 ZINC000577746567 655466234 /nfs/dbraw/zinc/46/62/34/655466234.db2.gz XLUYEAVBAGNFNJ-GDBMZVCRSA-N 1 0 396.329 2.593 20 0 GFADRO CC(C)(COc1ncccc1Br)NC(=O)NCC1(C)CC[NH2+]CC1 ZINC000577832751 655468096 /nfs/dbraw/zinc/46/80/96/655468096.db2.gz GXFCRWNSBRIKRK-UHFFFAOYSA-N 1 0 399.333 2.690 20 0 GFADRO CSC[C@H](O)C[NH2+][C@@H]1CCCN(c2ccc(Br)c(C)c2)C1=O ZINC000577842907 655468316 /nfs/dbraw/zinc/46/83/16/655468316.db2.gz MPQNGMMFWSSLAV-UKRRQHHQSA-N 1 0 387.343 2.566 20 0 GFADRO C[C@@H](CNS(=O)(=O)c1ccc(OC(F)F)c(F)c1)[N@@H+]1CCCC[C@@H]1C ZINC000577854830 655468533 /nfs/dbraw/zinc/46/85/33/655468533.db2.gz FUQJGOIOYWTLLA-RYUDHWBXSA-N 1 0 380.432 2.968 20 0 GFADRO [NH3+]CC[C@@H]1CCCCN1C(=O)C1CCN(C(=O)c2ccc(Cl)s2)CC1 ZINC000577859378 655468590 /nfs/dbraw/zinc/46/85/90/655468590.db2.gz YCRHTRQKYZZKSB-AWEZNQCLSA-N 1 0 383.945 2.984 20 0 GFADRO O[C@H](COc1ccc(Cl)cc1Cl)C[N@@H+]1CCC[C@H](N2CCOCC2)C1 ZINC000577862065 655468868 /nfs/dbraw/zinc/46/88/68/655468868.db2.gz VJXZZVCLIVROME-HOTGVXAUSA-N 1 0 389.323 2.530 20 0 GFADRO C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)N(C)Cc1cc(Cl)cc(Cl)c1 ZINC000577894000 655468986 /nfs/dbraw/zinc/46/89/86/655468986.db2.gz OORNQUYLAVWJBJ-CYBMUJFWSA-N 1 0 386.323 2.942 20 0 GFADRO Cc1nc(NC(=O)[C@H]2[NH2+]CCc3ccccc32)ccc1I ZINC000577953923 655470193 /nfs/dbraw/zinc/47/01/93/655470193.db2.gz OLHZMPUZPLBGSR-HNNXBMFYSA-N 1 0 393.228 2.820 20 0 GFADRO NS(=O)(=O)c1cc(Cl)cc(C[N@@H+]2CCCC[C@@H]2[C@H]2CCCC[C@@H]2O)c1 ZINC000578017374 655471276 /nfs/dbraw/zinc/47/12/76/655471276.db2.gz ZYTPCMKLHMINII-KURKYZTESA-N 1 0 386.945 2.893 20 0 GFADRO C[N@H+](Cc1cc(Br)cc(F)c1F)C1CCN(S(C)(=O)=O)CC1 ZINC000578134767 655473234 /nfs/dbraw/zinc/47/32/34/655473234.db2.gz CYDGFUYUFYEOSK-UHFFFAOYSA-N 1 0 397.285 2.583 20 0 GFADRO CO[C@@H]1COC[C@H]1[NH2+]CCOc1c(Br)cccc1Br ZINC000578234929 655474740 /nfs/dbraw/zinc/47/47/40/655474740.db2.gz ATIAXPSKQZTTQK-VXGBXAGGSA-N 1 0 395.091 2.594 20 0 GFADRO Cc1ccc(O[C@H](C)C(=O)NCC2([NH+](C)C)CCOCC2)c(Br)c1 ZINC000265017809 655476115 /nfs/dbraw/zinc/47/61/15/655476115.db2.gz LRXYETFLDSOYPO-CQSZACIVSA-N 1 0 399.329 2.752 20 0 GFADRO C[NH+](C)C1(CNC(=O)c2cc(Cl)ccc2Br)CCOCC1 ZINC000265033409 655476341 /nfs/dbraw/zinc/47/63/41/655476341.db2.gz ORBIZQUSCPXURI-UHFFFAOYSA-N 1 0 375.694 2.943 20 0 GFADRO C[C@@H](NC(=O)N1CC[N@@H+]([C@@H]2C[C@H]2C)C[C@H](C)C1)c1ncc(Br)cn1 ZINC000578320583 655476631 /nfs/dbraw/zinc/47/66/31/655476631.db2.gz HDBVKNGIVQDNTC-KYEXWDHISA-N 1 0 396.333 2.672 20 0 GFADRO C[C@H](CNC(=O)[C@@H](C)Oc1cccc(Cl)c1Cl)C[NH+]1CCN(C)CC1 ZINC000265060230 655476747 /nfs/dbraw/zinc/47/67/47/655476747.db2.gz QOLQFCWLBZYKGU-ZIAGYGMSSA-N 1 0 388.339 2.760 20 0 GFADRO O[C@@H](Cc1ccc(F)cc1)C[NH+]1CCN(c2ccc(Br)cn2)CC1 ZINC000578331550 655477076 /nfs/dbraw/zinc/47/70/76/655477076.db2.gz BAIUJTJBQQVXPV-KRWDZBQOSA-N 1 0 394.288 2.709 20 0 GFADRO COC(=O)C[C@@H](C)SCC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000265192283 655478828 /nfs/dbraw/zinc/47/88/28/655478828.db2.gz VOAREMBYQMMVHP-CQSZACIVSA-N 1 0 382.551 2.859 20 0 GFADRO CCSCC[C@@H](C)NC(=O)C(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000578461804 655479605 /nfs/dbraw/zinc/47/96/05/655479605.db2.gz VJSYPKCGCKPHOT-CJNGLKHVSA-N 1 0 385.961 2.707 20 0 GFADRO CSc1nc2ccc(NC(=O)C(=O)NC[C@@H](C)[N@H+](C)C3CC3)cc2s1 ZINC000265418275 655483041 /nfs/dbraw/zinc/48/30/41/655483041.db2.gz ZYXOGGNQJZCBJY-SNVBAGLBSA-N 1 0 378.523 2.556 20 0 GFADRO COc1ccc(C[NH2+][C@H]2CCC[C@@H](S(C)(=O)=O)C2)cc1Br ZINC000265876107 655492414 /nfs/dbraw/zinc/49/24/14/655492414.db2.gz NJOSCDUJGWHTJQ-QWHCGFSZSA-N 1 0 376.316 2.903 20 0 GFADRO CC[NH+](CC)CCCNC(=O)N(C)C[C@@H](O)c1cccc(Br)c1 ZINC000840240495 661149326 /nfs/dbraw/zinc/14/93/26/661149326.db2.gz KIZHJSPANNRJPQ-MRXNPFEDSA-N 1 0 386.334 2.856 20 0 GFADRO COC(=O)CC1([NH2+]Cc2cn(-c3ccccc3Br)nn2)CCCC1 ZINC000579417989 655499200 /nfs/dbraw/zinc/49/92/00/655499200.db2.gz UEQFUHXKARGSAP-UHFFFAOYSA-N 1 0 393.285 2.995 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)C[NH2+][C@@H]1CCC1(C)C ZINC000579489569 655500275 /nfs/dbraw/zinc/50/02/75/655500275.db2.gz XRQCUWDIXUJIFE-OAHLLOKOSA-N 1 0 396.329 2.933 20 0 GFADRO CC(=O)Nc1ccc(OC[C@@H](O)C[NH2+]Cc2csc(Br)c2)cc1 ZINC000579512768 655500644 /nfs/dbraw/zinc/50/06/44/655500644.db2.gz SMUKOQMWZIBXEY-AWEZNQCLSA-N 1 0 399.310 2.999 20 0 GFADRO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+]C[C@H](O)Cc2ccc(F)cc2)c1 ZINC000579702538 655502635 /nfs/dbraw/zinc/50/26/35/655502635.db2.gz WYLGNYSOJYTOJF-QGZVFWFLSA-N 1 0 385.888 2.966 20 0 GFADRO O[C@@H]1C[C@H]([C@H]2CCCOC2)[N@H+](Cc2nc3ccc(Br)cc3o2)C1 ZINC000579798638 655504167 /nfs/dbraw/zinc/50/41/67/655504167.db2.gz ZPAMPZVFMHKFRH-NJZAAPMLSA-N 1 0 381.270 2.952 20 0 GFADRO CC[NH+](CC)C[C@H](C)NC(=O)N(C)C[C@@H](O)c1cccc(Br)c1 ZINC000840272195 661151170 /nfs/dbraw/zinc/15/11/70/661151170.db2.gz LJZCDELDYMKOBD-XJKSGUPXSA-N 1 0 386.334 2.854 20 0 GFADRO O[C@@H](C[NH2+]Cc1ccc2c(c1)OCCO2)COc1ccc(Br)cc1 ZINC000579865317 655505209 /nfs/dbraw/zinc/50/52/09/655505209.db2.gz TYWSNGAWPFDSQX-HNNXBMFYSA-N 1 0 394.265 2.750 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)N(C)C[C@@H](O)c2cccc(Br)c2)CC[N@@H+]1C ZINC000840309829 661153281 /nfs/dbraw/zinc/15/32/81/661153281.db2.gz MWENJIVKMUQUPP-DAXOMENPSA-N 1 0 384.318 2.607 20 0 GFADRO COCC[NH2+]C1CCN(S(=O)(=O)c2ccc(Cl)c(F)c2Cl)CC1 ZINC000580206174 655510226 /nfs/dbraw/zinc/51/02/26/655510226.db2.gz SXADGQNBBOTAKX-UHFFFAOYSA-N 1 0 385.288 2.522 20 0 GFADRO COC(=O)c1ccc(CNC(=O)[C@@H]2C[NH2+]C[C@H]2c2ccc(Cl)cc2)s1 ZINC000580208972 655510284 /nfs/dbraw/zinc/51/02/84/655510284.db2.gz SQTSVIAJGODRAS-LSDHHAIUSA-N 1 0 378.881 2.808 20 0 GFADRO CC[N@@H+]1CC[C@H]2OCCN(Cc3c(Br)cc(OC)cc3OC)[C@H]2C1 ZINC000580341151 655511307 /nfs/dbraw/zinc/51/13/07/655511307.db2.gz OLGJAFRVQDOESF-DLBZAZTESA-N 1 0 399.329 2.761 20 0 GFADRO Ic1c2c(sc1-c1nc([C@H]3CCCO3)no1)C[NH2+]C2 ZINC000596023969 655513742 /nfs/dbraw/zinc/51/37/42/655513742.db2.gz OJGGFCCEYCQNCH-SSDOTTSWSA-N 1 0 389.218 2.857 20 0 GFADRO O=C(COc1ccc2cc(Br)ccc2c1)N1CC[N@@H+]2CC[C@H]1C2 ZINC000615562428 655521420 /nfs/dbraw/zinc/52/14/20/655521420.db2.gz DSUUMPBIOMYYQH-INIZCTEOSA-N 1 0 375.266 2.898 20 0 GFADRO O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cc(Br)cnc1F ZINC000700904189 655521584 /nfs/dbraw/zinc/52/15/84/655521584.db2.gz ZWFXQPDQIOCEHW-CQSZACIVSA-N 1 0 378.245 2.988 20 0 GFADRO O=S(=O)(N[C@]12CCC[C@@H]1[NH2+]CC2)c1c(Cl)cccc1Br ZINC000711639344 655522513 /nfs/dbraw/zinc/52/25/13/655522513.db2.gz KKFCFPSEZQMZFI-AAEUAGOBSA-N 1 0 379.707 2.665 20 0 GFADRO CN(Cc1cccc(Br)n1)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000711725744 655522562 /nfs/dbraw/zinc/52/25/62/655522562.db2.gz JVDZJTHJEROEPL-LJQANCHMSA-N 1 0 390.325 2.913 20 0 GFADRO NC(=O)CC1CC([NH2+]Cc2cc(Cl)ccc2I)C1 ZINC000718422975 655524122 /nfs/dbraw/zinc/52/41/22/655524122.db2.gz XBKLTDFFEITISR-UHFFFAOYSA-N 1 0 378.641 2.688 20 0 GFADRO C[N@@H+]1CCC[C@H]2[C@H]1CCN2C(=O)c1cccc(F)c1I ZINC000721713125 655525111 /nfs/dbraw/zinc/52/51/11/655525111.db2.gz MLYYGOIMAZBEMG-OLZOCXBDSA-N 1 0 388.224 2.739 20 0 GFADRO C[NH+](C)CC(C)(C)CNC(=S)N1CCN(Cc2ccc(Cl)s2)CC1 ZINC000727069397 655541232 /nfs/dbraw/zinc/54/12/32/655541232.db2.gz XFYPXAHPDBJBEU-UHFFFAOYSA-N 1 0 389.034 2.981 20 0 GFADRO O[C@H](COc1cc(Cl)ccc1Cl)C[N@@H+]1CCCC[C@H]1C1OCCO1 ZINC000728172327 655553516 /nfs/dbraw/zinc/55/35/16/655553516.db2.gz CKIGBZBTNKVYOE-ZFWWWQNUSA-N 1 0 376.280 2.961 20 0 GFADRO O[C@@H](COc1c(Cl)cccc1Cl)C[N@@H+]1CCCC[C@H]1C1OCCO1 ZINC000728173223 655553594 /nfs/dbraw/zinc/55/35/94/655553594.db2.gz BWXLYYCSLOZVNC-DOMZBBRYSA-N 1 0 376.280 2.961 20 0 GFADRO NC(=O)[C@H]1CCC[N@H+](Cc2ccc(NC(=O)c3scnc3Cl)cc2)C1 ZINC000728473904 655555839 /nfs/dbraw/zinc/55/58/39/655555839.db2.gz RQYUFCVISGXSKN-LBPRGKRZSA-N 1 0 378.885 2.746 20 0 GFADRO Cc1csc([C@](O)(CC(=O)N2CCC[C@H]([NH2+]C(C)C)C2)C(F)(F)F)n1 ZINC000728604953 655557681 /nfs/dbraw/zinc/55/76/81/655557681.db2.gz LWUWFHXILPLWLA-SWLSCSKDSA-N 1 0 379.448 2.581 20 0 GFADRO CC[NH+](CC)CC(=O)N1CCN(C(=S)Nc2cccc(Cl)c2C)CC1 ZINC000728791750 655558950 /nfs/dbraw/zinc/55/89/50/655558950.db2.gz FSZHHQBCSXICPL-UHFFFAOYSA-N 1 0 382.961 2.831 20 0 GFADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)N1CCc2c(ccc(Cl)c2Cl)C1 ZINC000729504408 655565432 /nfs/dbraw/zinc/56/54/32/655565432.db2.gz IDTRJABMFWHLCS-ZIAGYGMSSA-N 1 0 384.307 2.924 20 0 GFADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)N[C@H]1CCc2c1cccc2Br ZINC000729501138 655565462 /nfs/dbraw/zinc/56/54/62/655565462.db2.gz HIJKRHKYLBNIKD-XNJGSVPQSA-N 1 0 394.313 2.599 20 0 GFADRO C[NH+]1CCC(CNC(=O)Nc2cc3c(cc2Br)OCCO3)CC1 ZINC000729619042 655566202 /nfs/dbraw/zinc/56/62/02/655566202.db2.gz JKSZDPHDQPJHKJ-UHFFFAOYSA-N 1 0 384.274 2.684 20 0 GFADRO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)/C=C\c2ccc(Br)o2)CC1 ZINC000730563122 655576418 /nfs/dbraw/zinc/57/64/18/655576418.db2.gz SRPLLPBHDVAZRZ-DDJMYBDESA-N 1 0 396.329 2.684 20 0 GFADRO C[N@H+](CCNC(=O)N1CCO[C@H](c2ccccc2Br)C1)C1CC1 ZINC000732891589 655604246 /nfs/dbraw/zinc/60/42/46/655604246.db2.gz OLZHFWODABGAHU-INIZCTEOSA-N 1 0 382.302 2.626 20 0 GFADRO CN(CC(=O)NCc1cccs1)C[C@H](O)c1ccc(Br)cc1 ZINC000732983400 655605535 /nfs/dbraw/zinc/60/55/35/655605535.db2.gz URQVKDAWCLEAQS-HNNXBMFYSA-N 1 0 383.311 2.792 20 0 GFADRO O=C(Cc1ccc(Cl)cc1Br)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000733256071 655610905 /nfs/dbraw/zinc/61/09/05/655610905.db2.gz BBGQEPFWJXRRSE-KGLIPLIRSA-N 1 0 387.705 2.624 20 0 GFADRO O=S(=O)(/C=C\c1ccccc1Cl)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000734243475 655628456 /nfs/dbraw/zinc/62/84/56/655628456.db2.gz KDBVWPUYOAJLQI-GQPJMJRUSA-N 1 0 384.929 2.874 20 0 GFADRO C[NH+](C)CC[C@H](NS(=O)(=O)c1c(Cl)nc2sccn21)C(C)(C)C ZINC000734849379 655635631 /nfs/dbraw/zinc/63/56/31/655635631.db2.gz BDUMNBAUEBYCGT-JTQLQIEISA-N 1 0 378.951 2.694 20 0 GFADRO O=S(=O)(NC[C@H]1CCC[N@H+](Cc2cccs2)C1)c1cccnc1Cl ZINC000738365128 655689845 /nfs/dbraw/zinc/68/98/45/655689845.db2.gz GBVBZSSPZNHXEW-CYBMUJFWSA-N 1 0 385.942 2.987 20 0 GFADRO S=c1n(Cc2cccs2)nnn1CN1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000742169219 655710886 /nfs/dbraw/zinc/71/08/86/655710886.db2.gz PMVJJANNZRVGDN-OAHLLOKOSA-N 1 0 378.571 2.684 20 0 GFADRO C[C@H](NC(=S)N1CCN(CC[NH+](C)C)CC1)c1ccc(Br)cc1 ZINC000840704239 661176690 /nfs/dbraw/zinc/17/66/90/661176690.db2.gz NYKQOKCBCBAYEH-AWEZNQCLSA-N 1 0 399.402 2.564 20 0 GFADRO CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)c1c[nH]c(=O)c(Br)c1 ZINC000743329595 655727941 /nfs/dbraw/zinc/72/79/41/655727941.db2.gz CFQGYCJAKDAMJA-UHFFFAOYSA-N 1 0 378.270 2.884 20 0 GFADRO CC(C)(C)O[C@@H]1C[C@@H]([NH2+]CC2CCN(S(=O)(=O)C(F)F)CC2)C1(C)C ZINC000840728741 661179614 /nfs/dbraw/zinc/17/96/14/661179614.db2.gz LGGMDOYLUYHWHY-ZIAGYGMSSA-N 1 0 382.517 2.823 20 0 GFADRO C[C@H]1C[C@H](NC(=O)C(=O)Nc2cccc(C3SCCS3)c2)CC[N@@H+]1C ZINC000743932912 655732901 /nfs/dbraw/zinc/73/29/01/655732901.db2.gz YKMISDYUQIIFNV-SWLSCSKDSA-N 1 0 379.551 2.703 20 0 GFADRO COc1ccc([C@@H](C)[NH2+]CC2CCN(S(=O)(=O)C(F)F)CC2)c(C)c1 ZINC000840729699 661180010 /nfs/dbraw/zinc/18/00/10/661180010.db2.gz QCNQKPNSROJFPA-CYBMUJFWSA-N 1 0 376.469 2.919 20 0 GFADRO C[C@@H]1CCC[N@@H+]1CCNC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000743980069 655733419 /nfs/dbraw/zinc/73/34/19/655733419.db2.gz DYXPXVWPKWNIFJ-SNVBAGLBSA-N 1 0 377.794 2.898 20 0 GFADRO C[C@H](CNC(=O)OC(C)(C)C)[NH2+][C@H](C)Cn1cc(Br)ccc1=O ZINC000840745000 661182126 /nfs/dbraw/zinc/18/21/26/661182126.db2.gz BWWULWIZDIZIPA-VXGBXAGGSA-N 1 0 388.306 2.502 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2Cn1ncc(Br)c1C1CC1 ZINC000746648913 655765325 /nfs/dbraw/zinc/76/53/25/655765325.db2.gz LSVJYOVKOFLOQQ-KBMXLJTQSA-N 1 0 383.334 2.664 20 0 GFADRO Cc1c(C[NH2+]CCNS(=O)(=O)c2cccs2)sc2nc(C)nc(C)c12 ZINC000746747191 655767058 /nfs/dbraw/zinc/76/70/58/655767058.db2.gz FJUNFBSVBIYPNH-UHFFFAOYSA-N 1 0 396.563 2.746 20 0 GFADRO C[NH+](C)[C@@]1(CNC(=O)NOCc2ccc(C(F)(F)F)cc2)CCSC1 ZINC000746742775 655767111 /nfs/dbraw/zinc/76/71/11/655767111.db2.gz UMLSIWCOUCJWBE-OAHLLOKOSA-N 1 0 377.432 2.874 20 0 GFADRO O=S(=O)(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000747328893 655777000 /nfs/dbraw/zinc/77/70/00/655777000.db2.gz QKYDRSCYUDIVSG-MNOVXSKESA-N 1 0 398.834 2.500 20 0 GFADRO COc1ccc([C@@H](C)[NH2+]C2CCN(S(=O)(=O)C(F)(F)F)CC2)c(C)c1 ZINC000840723734 661178505 /nfs/dbraw/zinc/17/85/05/661178505.db2.gz FOQLDGSTYRPGAM-GFCCVEGCSA-N 1 0 380.432 2.968 20 0 GFADRO C[C@@H](NC(=O)CN1CC[NH+](CCCCO)CC1)c1ccc(Cl)c(Cl)c1 ZINC000750053698 655810768 /nfs/dbraw/zinc/81/07/68/655810768.db2.gz JMVWAEIYTRVPHT-CQSZACIVSA-N 1 0 388.339 2.561 20 0 GFADRO CC[N@H+](C)C[C@H]1CCN(S(=O)(=O)c2cc3ccc(Cl)nc3cc2F)C1 ZINC000750167541 655812235 /nfs/dbraw/zinc/81/22/35/655812235.db2.gz HOIKWCJHPXHMCJ-GFCCVEGCSA-N 1 0 385.892 2.990 20 0 GFADRO CCn1cnnc1SCC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000750950650 655819013 /nfs/dbraw/zinc/81/90/13/655819013.db2.gz FWEWVABYYVYZGK-UHFFFAOYSA-N 1 0 377.539 2.578 20 0 GFADRO C[C@H](NC(=S)NC1CC[NH+](C)CC1)[C@H](O)c1c(Cl)cccc1Cl ZINC000751898008 655835749 /nfs/dbraw/zinc/83/57/49/655835749.db2.gz HPKJMEGAWYJSRX-BONVTDFDSA-N 1 0 376.353 2.974 20 0 GFADRO CCS(=O)(=O)NCCC[N@@H+](Cc1ccccc1)C[C@@H](O)c1ccsc1 ZINC000753159987 655851045 /nfs/dbraw/zinc/85/10/45/655851045.db2.gz GYQDHBKHSISJOE-GOSISDBHSA-N 1 0 382.551 2.613 20 0 GFADRO C[NH+](C)CCCCCOC(=O)c1cn(-c2ccccc2Br)nn1 ZINC000754681758 655871272 /nfs/dbraw/zinc/87/12/72/655871272.db2.gz XTGUFONFLBDNEJ-UHFFFAOYSA-N 1 0 381.274 2.919 20 0 GFADRO Cc1ccc(-n2nc(Br)cc2C(=O)NCC[N@@H+](C)C2CC2)cc1 ZINC000755232837 655881323 /nfs/dbraw/zinc/88/13/23/655881323.db2.gz KICGXLCINNZMDG-UHFFFAOYSA-N 1 0 377.286 2.767 20 0 GFADRO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)NC[C@@H]1CCC[N@H+]1C ZINC000755372368 655882609 /nfs/dbraw/zinc/88/26/09/655882609.db2.gz SAZQNPNVFOVRBN-LBPRGKRZSA-N 1 0 379.254 2.688 20 0 GFADRO CC[NH+](CC)CCOC(=O)[C@@H]1CCC(=O)N1Cc1ccc(Br)cc1 ZINC000755718445 655887469 /nfs/dbraw/zinc/88/74/69/655887469.db2.gz BHKPGAKXTLMWBP-INIZCTEOSA-N 1 0 397.313 2.825 20 0 GFADRO Clc1ccc(-n2cc(CNC[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)nn2)c(Cl)c1 ZINC000756025594 655893482 /nfs/dbraw/zinc/89/34/82/655893482.db2.gz MKPQWUGZEOXHTK-HUUCEWRRSA-N 1 0 382.295 2.527 20 0 GFADRO Cc1ccc(N2N=C(Br)C[C@@H]2C(=O)N2CCC([NH+](C)C)CC2)cc1 ZINC000756105818 655895058 /nfs/dbraw/zinc/89/50/58/655895058.db2.gz NDNVMWOTKZGSAN-MRXNPFEDSA-N 1 0 393.329 2.835 20 0 GFADRO Cc1cc(NC(=O)C(=O)NCC[N@H+]2CCC[C@@H]2C)cc(C)c1Br ZINC000756128518 655895352 /nfs/dbraw/zinc/89/53/52/655895352.db2.gz OJDOIGBRFJUWEL-ZDUSSCGKSA-N 1 0 382.302 2.605 20 0 GFADRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NCCc1ccc(Br)cc1F ZINC000757687789 655915263 /nfs/dbraw/zinc/91/52/63/655915263.db2.gz HNGDILYEKRYRFQ-MEDUHNTESA-N 1 0 384.293 2.913 20 0 GFADRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)Nc1cc2c(cc1Br)OCCO2 ZINC000757797284 655916703 /nfs/dbraw/zinc/91/67/03/655916703.db2.gz VAXKOOSWDFTGHB-IINYFYTJSA-N 1 0 396.285 2.825 20 0 GFADRO O=C(Nc1ccn(-c2cc[nH+]cc2)n1)c1cccnc1I ZINC000758163976 655924760 /nfs/dbraw/zinc/92/47/60/655924760.db2.gz QCGYLEWOSBDMHL-UHFFFAOYSA-N 1 0 391.172 2.519 20 0 GFADRO Cc1cc(NC(=O)c2cccnc2Br)n(C2CC[NH+](C)CC2)n1 ZINC000758278742 655928545 /nfs/dbraw/zinc/92/85/45/655928545.db2.gz IBLSCILJDBFXNU-UHFFFAOYSA-N 1 0 378.274 2.868 20 0 GFADRO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)c1cc(Br)nn1C)[NH+](C)C ZINC000759325625 655952913 /nfs/dbraw/zinc/95/29/13/655952913.db2.gz YRZNHIKRKFNNEK-MLGOLLRUSA-N 1 0 379.302 2.912 20 0 GFADRO C[NH+]1CCC(CNC(=S)N2CCN(Cc3ccc(Cl)cc3)CC2)CC1 ZINC000760463163 655981499 /nfs/dbraw/zinc/98/14/99/655981499.db2.gz JMLXVQYYLUVNIE-UHFFFAOYSA-N 1 0 380.989 2.674 20 0 GFADRO COC(=O)CSCc1cccc(NC(=S)NCC2CC[NH+](C)CC2)c1 ZINC000760484538 655982321 /nfs/dbraw/zinc/98/23/21/655982321.db2.gz PUWOMLYHJNGHDW-UHFFFAOYSA-N 1 0 381.567 2.721 20 0 GFADRO C[NH+]1CCC(CNC(=S)NNc2ccc(OCC(F)(F)F)cc2)CC1 ZINC000760485841 655982345 /nfs/dbraw/zinc/98/23/45/655982345.db2.gz TYEMIGQIHFNHSB-UHFFFAOYSA-N 1 0 376.448 2.761 20 0 GFADRO C[NH+]1CCC(CNC(=S)NCc2nc(-c3cccc(Cl)c3)no2)CC1 ZINC000760493824 655982510 /nfs/dbraw/zinc/98/25/10/655982510.db2.gz RITGOCFGEFJWPD-UHFFFAOYSA-N 1 0 379.917 2.696 20 0 GFADRO C[C@@]1(c2cccc(Br)c2)NC(=O)N(C2CC[NH+](C3CC3)CC2)C1=O ZINC000760982113 655995295 /nfs/dbraw/zinc/99/52/95/655995295.db2.gz YYFZGZXPYWGUNX-SFHVURJKSA-N 1 0 392.297 2.843 20 0 GFADRO C[N@H+](CCN1C(=O)N[C@H](c2ccc(Br)cc2)C1=O)C1CCCC1 ZINC000761246613 656004897 /nfs/dbraw/zinc/00/48/97/656004897.db2.gz LYQLAWPIVBDJBV-OAHLLOKOSA-N 1 0 380.286 2.916 20 0 GFADRO C[C@@H]1C[C@@H](N2C(=O)N[C@@](C)(c3cccc(Br)c3)C2=O)CC[N@@H+]1C ZINC000761286082 656007925 /nfs/dbraw/zinc/00/79/25/656007925.db2.gz ZBSXQDMAWORSIW-WHCBVINPSA-N 1 0 380.286 2.699 20 0 GFADRO Cn1ccc([C@H](NC(=S)NC2CC[NH+](C)CC2)c2ccc(Cl)cc2)n1 ZINC000762432594 656041836 /nfs/dbraw/zinc/04/18/36/656041836.db2.gz GFXLUNLWDZYEII-QGZVFWFLSA-N 1 0 377.945 2.721 20 0 GFADRO CC[NH+]1CCN(c2ccc(CNC(=O)c3nc(Cl)sc3C)cn2)CC1 ZINC000762841979 656060727 /nfs/dbraw/zinc/06/07/27/656060727.db2.gz MTHZOVFLLKACIQ-UHFFFAOYSA-N 1 0 379.917 2.572 20 0 GFADRO CC(C)(CC[NH2+]Cc1c(F)ccc(C2OCCO2)c1Cl)S(C)(=O)=O ZINC000840960961 661221200 /nfs/dbraw/zinc/22/12/00/661221200.db2.gz YJPNAEAQGAKCOQ-UHFFFAOYSA-N 1 0 379.881 2.827 20 0 GFADRO CCN(Cc1ccc(Cl)s1)C(=O)C(=O)Nc1cccc(OCC[NH3+])c1 ZINC000841012206 661226452 /nfs/dbraw/zinc/22/64/52/661226452.db2.gz BBVMOCUNEWHTNG-UHFFFAOYSA-N 1 0 381.885 2.726 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)Nc2cc3c(cc2Br)OCCO3)C1 ZINC000841015876 661227801 /nfs/dbraw/zinc/22/78/01/661227801.db2.gz PKRYCPCWUGPVTN-MNOVXSKESA-N 1 0 384.274 2.811 20 0 GFADRO CC[C@H]1CN(C(=O)Nc2cc3c(cc2Br)OCCO3)CC[C@H]1[NH3+] ZINC000841016692 661228569 /nfs/dbraw/zinc/22/85/69/661228569.db2.gz WLWOSHUOSPBXPS-CMPLNLGQSA-N 1 0 384.274 2.811 20 0 GFADRO COC(=O)N1CCC[C@@H]([NH2+][C@H](C)c2ccc(S(=O)(=O)C(F)F)cc2)C1 ZINC000765628519 656146160 /nfs/dbraw/zinc/14/61/60/656146160.db2.gz DHFJAVJMKRSPSO-DGCLKSJQSA-N 1 0 376.425 2.564 20 0 GFADRO Cn1nc(C(F)(F)F)c(CN2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)c1Cl ZINC000841099061 661232566 /nfs/dbraw/zinc/23/25/66/661232566.db2.gz CPESBKWEAPYOEN-CHWSQXEVSA-N 1 0 380.842 2.811 20 0 GFADRO CC[N@@H+]1C[C@H](C)N(C(=O)C[C@@](O)(c2nc(C)cs2)C(F)(F)F)C[C@@H]1C ZINC000765925915 656154766 /nfs/dbraw/zinc/15/47/66/656154766.db2.gz RPFXQMJAGCBCPL-SLEUVZQESA-N 1 0 379.448 2.533 20 0 GFADRO CC[N@@H+]1C[C@@H](C)N(C(=O)COc2ccc(C=O)cc2Br)C[C@H]1C ZINC000765933736 656155382 /nfs/dbraw/zinc/15/53/82/656155382.db2.gz VAYNZAIWACCSBR-CHWSQXEVSA-N 1 0 383.286 2.582 20 0 GFADRO COCCC[C@H]([NH2+]C[C@H](O)c1cnn(C)c1)c1ccc(Br)cc1 ZINC000766183883 656164148 /nfs/dbraw/zinc/16/41/48/656164148.db2.gz MCTZAGXPFIZMIT-IRXDYDNUSA-N 1 0 382.302 2.974 20 0 GFADRO COc1cc([C@@H](C)[NH2+]CCN2CCC[C@H]2C)ccc1S(=O)(=O)C(F)F ZINC000766268421 656166934 /nfs/dbraw/zinc/16/69/34/656166934.db2.gz KZFRDPJMMBMYFU-CHWSQXEVSA-N 1 0 376.469 2.826 20 0 GFADRO C[C@](C[NH3+])(NC(=O)Nc1cnc(Br)c(Br)c1)C1CC1 ZINC000841141192 661236593 /nfs/dbraw/zinc/23/65/93/661236593.db2.gz GEVLNVGOIHWMJY-GFCCVEGCSA-N 1 0 392.095 2.856 20 0 GFADRO COc1cc(S(=O)(=O)N2CCC[C@H]([NH+]3[C@H](C)CC[C@H]3C)C2)cnc1Cl ZINC000767720131 656216574 /nfs/dbraw/zinc/21/65/74/656216574.db2.gz GLWQSFNLBWZXIE-MCIONIFRSA-N 1 0 387.933 2.770 20 0 GFADRO CSc1nc2ccc(NC(=O)C(=O)NCC3([NH3+])CCCCC3)cc2s1 ZINC000841145903 661238019 /nfs/dbraw/zinc/23/80/19/661238019.db2.gz MVRUZGPLBDFVSV-UHFFFAOYSA-N 1 0 378.523 2.735 20 0 GFADRO O=S(=O)(/C=C/c1cccc(Cl)c1)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000768826579 656253315 /nfs/dbraw/zinc/25/33/15/656253315.db2.gz GBRBEMKZNXYAJU-JQTSXJCQSA-N 1 0 384.929 2.827 20 0 GFADRO C[C@@H](CC[NH3+])NC(=O)C(=O)Nc1ccccc1SC[C@@H]1CC1(Cl)Cl ZINC000841204253 661244122 /nfs/dbraw/zinc/24/41/22/661244122.db2.gz SGNVEQUGDGWWFB-QWRGUYRKSA-N 1 0 390.336 2.765 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)c1nccn2c(Br)cnc12)c1ccccc1 ZINC000769610059 656281908 /nfs/dbraw/zinc/28/19/08/656281908.db2.gz NMMUQKJAAKOZGM-ZDUSSCGKSA-N 1 0 388.269 2.525 20 0 GFADRO CSc1nc2ccc(NC(=O)C(=O)N3CCC[C@H](CC[NH3+])C3)cc2s1 ZINC000841232015 661246741 /nfs/dbraw/zinc/24/67/41/661246741.db2.gz OFAQZPWDRZIPPC-LLVKDONJSA-N 1 0 378.523 2.544 20 0 GFADRO COCCCN(C(=O)c1sc(Br)nc1C)C1CC[NH+](C)CC1 ZINC000841236394 661247433 /nfs/dbraw/zinc/24/74/33/661247433.db2.gz AMEUGLOYQPKIPT-UHFFFAOYSA-N 1 0 390.347 2.787 20 0 GFADRO O=C(Nc1cccnc1Br)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000770274793 656314200 /nfs/dbraw/zinc/31/42/00/656314200.db2.gz IHWDYWUDDLVHAZ-ZDUSSCGKSA-N 1 0 383.290 2.609 20 0 GFADRO Cc1cc(Br)nc(NC(=O)N2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)c1 ZINC000841257587 661249781 /nfs/dbraw/zinc/24/97/81/661249781.db2.gz SDDPFEBRYKOABW-DOMZBBRYSA-N 1 0 383.290 2.513 20 0 GFADRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)c2cccnc2I)C1 ZINC000770552723 656322946 /nfs/dbraw/zinc/32/29/46/656322946.db2.gz OHYITCBWBCEDRR-LBPRGKRZSA-N 1 0 387.265 2.536 20 0 GFADRO COC(=O)C[C@]1([NH2+]CC(=O)Nc2ccc(Cl)c(Cl)c2)CCCOC1 ZINC000770711431 656327879 /nfs/dbraw/zinc/32/78/79/656327879.db2.gz VHPDSEXZFGPAOU-MRXNPFEDSA-N 1 0 375.252 2.634 20 0 GFADRO C[C@H](NC(=O)N[C@@H](CC[NH3+])C(F)(F)F)[C@@H](O)c1c(Cl)cccc1Cl ZINC000841334029 661252320 /nfs/dbraw/zinc/25/23/20/661252320.db2.gz AUUTWKXUPAYRJR-VIRWGQHYSA-N 1 0 388.217 2.994 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)c1cc(=O)c2cc(Br)ccc2o1)C1CC1 ZINC000841382370 661256603 /nfs/dbraw/zinc/25/66/03/661256603.db2.gz NUGXFTFEWRMZBO-ZDUSSCGKSA-N 1 0 379.254 2.626 20 0 GFADRO O=C(Cn1cc(Br)cn1)OCC1CC[NH+](Cc2ccco2)CC1 ZINC000772699111 656386344 /nfs/dbraw/zinc/38/63/44/656386344.db2.gz QXGHBCSHRLZWQU-UHFFFAOYSA-N 1 0 382.258 2.694 20 0 GFADRO CC[C@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1ccc2nc(Cl)cnc2c1 ZINC000772941051 656394418 /nfs/dbraw/zinc/39/44/18/656394418.db2.gz YXTAAIBIYNVOIN-ZDUSSCGKSA-N 1 0 382.917 2.826 20 0 GFADRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNS(=O)(=O)c1ccc2nc(Cl)cnc2c1 ZINC000772937757 656394466 /nfs/dbraw/zinc/39/44/66/656394466.db2.gz SEUUKBBBBHWMTK-BETUJISGSA-N 1 0 382.917 2.824 20 0 GFADRO CC[C@H]([NH2+]CCS(=O)(=O)N1CCOCC1)c1ccc(Cl)c(Cl)c1 ZINC000772946209 656394990 /nfs/dbraw/zinc/39/49/90/656394990.db2.gz LGPLENWYCAXRKF-HNNXBMFYSA-N 1 0 381.325 2.696 20 0 GFADRO C[C@H]([NH2+][C@@H]1CC[C@H]2SCCS[C@H]12)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000773131461 656400599 /nfs/dbraw/zinc/40/05/99/656400599.db2.gz AAKHLYFGDYJYJB-WBQNTZJQSA-N 1 0 386.608 2.967 20 0 GFADRO C[NH+]1CCC(N(C[C@H](O)CC(C)(C)C)C(=O)C[C@@H]2CSCCS2)CC1 ZINC000773449963 656449011 /nfs/dbraw/zinc/44/90/11/656449011.db2.gz QXXDXZQXKWDCIU-IAGOWNOFSA-N 1 0 388.643 2.945 20 0 GFADRO C[C@H]([NH2+][C@@H](C)[C@H](O)c1c(F)cccc1Cl)c1ccc(S(N)(=O)=O)cc1 ZINC000774461906 656529416 /nfs/dbraw/zinc/52/94/16/656529416.db2.gz RDNLFGWWJXVJSD-DINDLPBHSA-N 1 0 386.876 2.899 20 0 GFADRO O[C@@H](C[NH2+][C@H]1CCCN(c2ncccn2)C1)c1ccc(F)c(Br)c1 ZINC000774614059 656541039 /nfs/dbraw/zinc/54/10/39/656541039.db2.gz KFYOFDPRONCISS-BBRMVZONSA-N 1 0 395.276 2.670 20 0 GFADRO Cc1cc(Br)cc(C[NH2+]CCNS(=O)(=O)Cc2ccccc2)c1 ZINC000774975097 656578654 /nfs/dbraw/zinc/57/86/54/656578654.db2.gz AJRMMGLLHLEPIB-UHFFFAOYSA-N 1 0 397.338 2.967 20 0 GFADRO CC[NH+](CC)CCCC1CCN(C(=O)C(=O)NC[C@@H]2CC2(Cl)Cl)CC1 ZINC000775196098 656613226 /nfs/dbraw/zinc/61/32/26/656613226.db2.gz MGPZSPIDCNCHGU-HNNXBMFYSA-N 1 0 392.371 2.657 20 0 GFADRO CS(=O)(=O)CCCCC[NH2+]Cc1ccccc1I ZINC000775375817 656633065 /nfs/dbraw/zinc/63/30/65/656633065.db2.gz WYTHZHVEJDFCTG-UHFFFAOYSA-N 1 0 381.279 2.596 20 0 GFADRO OC[C@@H]1CCN(Cc2ccccc2)C[C@@H]1[NH2+][C@@H]1CC[C@@H]2SCCS[C@@H]12 ZINC000775391639 656636325 /nfs/dbraw/zinc/63/63/25/656636325.db2.gz CFCFEAGIWXIDLC-WPVAHCMFSA-N 1 0 378.607 2.839 20 0 GFADRO C[C@@H]1CCCN1CC[NH2+][C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000775507986 656644907 /nfs/dbraw/zinc/64/49/07/656644907.db2.gz GMBZCUKJQKECMP-DOMZBBRYSA-N 1 0 387.343 2.742 20 0 GFADRO C[NH+]1CCN(c2ccc(NC(=O)c3scnc3Br)cc2)CC1 ZINC000775612003 656655043 /nfs/dbraw/zinc/65/50/43/656655043.db2.gz FMCDVMYCRAZDTR-UHFFFAOYSA-N 1 0 381.299 2.910 20 0 GFADRO COC(=O)N1CCC[C@@H]([C@@H](C)[NH2+]CC(=O)N(C)Cc2ccc(Cl)s2)C1 ZINC000775810369 656681288 /nfs/dbraw/zinc/68/12/88/656681288.db2.gz KMVJWKNFDVICRD-CHWSQXEVSA-N 1 0 387.933 2.816 20 0 GFADRO COC(=O)N1CCC[C@H]([C@H](C)[NH2+]C[C@@H](O)c2ccccc2Br)C1 ZINC000775815824 656682184 /nfs/dbraw/zinc/68/21/84/656682184.db2.gz NDZQKEUPVSYRDY-HEHGZKQESA-N 1 0 385.302 2.939 20 0 GFADRO CS[C@@H]1CN(CC(=O)Nc2ccccc2SC(F)F)C[C@@H]1[NH+](C)C ZINC000775997452 656701862 /nfs/dbraw/zinc/70/18/62/656701862.db2.gz BEDNPIVXOBTMFA-GXTWGEPZSA-N 1 0 375.510 2.917 20 0 GFADRO CS[C@@H]1CN(CC(=O)Nc2ccc(SC(F)F)cc2)C[C@@H]1[NH+](C)C ZINC000776002026 656702077 /nfs/dbraw/zinc/70/20/77/656702077.db2.gz RDOWASJFPPYQNZ-UONOGXRCSA-N 1 0 375.510 2.917 20 0 GFADRO C[C@H]([NH2+]C1CCC2(CC1)NC(=O)NC2=O)[C@H](O)c1c(Cl)cccc1Cl ZINC000776219321 656721710 /nfs/dbraw/zinc/72/17/10/656721710.db2.gz FMCHHQKNIXPOKM-LJVJUWJUSA-N 1 0 386.279 2.526 20 0 GFADRO C=C1[NH+]=C(SC[C@@H](O)CSC)N[C@@H](c2ccccc2)C1C(=O)OCC ZINC000777662509 656831737 /nfs/dbraw/zinc/83/17/37/656831737.db2.gz WSTHWNBDEFGCLK-HOCLYGCPSA-N 1 0 380.535 2.981 20 0 GFADRO C[C@H](C1CC1)[NH+]1CCN(C(=O)c2ccccc2I)CC1 ZINC000777911985 656841771 /nfs/dbraw/zinc/84/17/71/656841771.db2.gz RUXHVABRSGDUOI-GFCCVEGCSA-N 1 0 384.261 2.848 20 0 GFADRO O=C(c1cc(Br)ncc1Cl)N1CCN(c2cc[nH+]cc2)CC1 ZINC000779723758 656938102 /nfs/dbraw/zinc/93/81/02/656938102.db2.gz LOCVWUZTGFPSAZ-UHFFFAOYSA-N 1 0 381.661 2.855 20 0 GFADRO CC(=O)Nc1cc(F)c(S(=O)(=O)NC[C@H](C)[NH+]2CCCCC2)cc1Cl ZINC000780715730 657025429 /nfs/dbraw/zinc/02/54/29/657025429.db2.gz NVFBVKQZNKEWFV-NSHDSACASA-N 1 0 391.896 2.590 20 0 GFADRO COc1cc(/C=C/C(=O)N2CC[C@H](C[NH+](C)C)C2)cc(Br)c1O ZINC000781406693 657054640 /nfs/dbraw/zinc/05/46/40/657054640.db2.gz QZAIXQBNMNWQID-MUBLQREKSA-N 1 0 383.286 2.587 20 0 GFADRO COc1ccc(OC)c([C@@H](O)C[NH2+][C@@H](CO)c2cccc(Br)c2)c1 ZINC000782081510 657100817 /nfs/dbraw/zinc/10/08/17/657100817.db2.gz ACCKEVOESFEGPP-IRXDYDNUSA-N 1 0 396.281 2.823 20 0 GFADRO O=C(NCC[NH+]1CCCCC1)c1cnn(-c2ccccc2)c1Br ZINC000782167710 657109468 /nfs/dbraw/zinc/10/94/68/657109468.db2.gz RJARDRIPBHRYMB-UHFFFAOYSA-N 1 0 377.286 2.851 20 0 GFADRO C[NH+](C)[C@@H]1CCCN(Cn2nnn(-c3ccc(Br)cc3)c2=S)C1 ZINC000783985016 657280248 /nfs/dbraw/zinc/28/02/48/657280248.db2.gz QLUINFGAUNUYQQ-CQSZACIVSA-N 1 0 397.346 2.544 20 0 GFADRO CC[NH+]1CCN(Cc2ccc(NCc3cc(Br)nn3C)cc2)CC1 ZINC000785431394 657364181 /nfs/dbraw/zinc/36/41/81/657364181.db2.gz RZUBEZKGIWYTEY-UHFFFAOYSA-N 1 0 392.345 2.932 20 0 GFADRO COc1cccc(N2CC[C@H](C[NH2+]Cc3cc(Br)nn3C)C2)c1 ZINC000785447150 657365330 /nfs/dbraw/zinc/36/53/30/657365330.db2.gz YFGUESPPHZISIC-CYBMUJFWSA-N 1 0 379.302 2.807 20 0 GFADRO O[C@H](CN1CCCC1)C[N@H+](Cc1cccc(Br)c1)C1CCOCC1 ZINC000786440144 657428955 /nfs/dbraw/zinc/42/89/55/657428955.db2.gz GKWDHKNICAHWTP-LJQANCHMSA-N 1 0 397.357 2.887 20 0 GFADRO C[C@H]([NH2+]Cc1ccc(S(C)(=O)=O)s1)c1cccc(N2CCOC2=O)c1 ZINC000786964666 657497250 /nfs/dbraw/zinc/49/72/50/657497250.db2.gz ZOAJPJBSHIIVRH-LBPRGKRZSA-N 1 0 380.491 2.959 20 0 GFADRO O=C([C@@H]1CCC[N@@H+]1C1CC1)N1CCO[C@@H](c2ccccc2Br)C1 ZINC000787286725 657539471 /nfs/dbraw/zinc/53/94/71/657539471.db2.gz LTIURAMJIVUYNZ-DLBZAZTESA-N 1 0 379.298 2.976 20 0 GFADRO COC(=O)/C=C1/SCC(=O)N1CCC[N@@H+]1CC[C@@H](C(F)(F)F)C1(C)C ZINC000787328281 657543585 /nfs/dbraw/zinc/54/35/85/657543585.db2.gz QIJBYBHSRWPGGG-VSXLWIIGSA-N 1 0 380.432 2.629 20 0 GFADRO CCCN(CCC[NH+](C)C)C(=O)c1cn(-c2ccccc2Br)nn1 ZINC000787759631 657594907 /nfs/dbraw/zinc/59/49/07/657594907.db2.gz JGIMAHQGWLDNLQ-UHFFFAOYSA-N 1 0 394.317 2.834 20 0 GFADRO C[NH+](C)Cc1ccc(S(=O)(=O)NC[C@H](O)c2ccc(Cl)c(F)c2)cc1 ZINC000788659242 657765766 /nfs/dbraw/zinc/76/57/66/657765766.db2.gz YZCVCLSAPSDEFS-KRWDZBQOSA-N 1 0 386.876 2.553 20 0 GFADRO CCS(=O)(=O)CCCCC[N@@H+]1CC[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000789349047 657840427 /nfs/dbraw/zinc/84/04/27/657840427.db2.gz ZRMFFUILYZFCAD-HZPDHXFCSA-N 1 0 376.563 2.827 20 0 GFADRO CC[NH+]1CCN(Cc2ccccc2CNC(=O)c2nc(Cl)cs2)CC1 ZINC000789896416 657898060 /nfs/dbraw/zinc/89/80/60/657898060.db2.gz NFMFYCMERSTMFD-UHFFFAOYSA-N 1 0 378.929 2.864 20 0 GFADRO Cc1nn(C)c(C[NH2+]C[C@H](NC(=O)OC(C)(C)C)C2CC2)c1Br ZINC000790479602 657991988 /nfs/dbraw/zinc/99/19/88/657991988.db2.gz XPJHDKSMCNBBTK-LBPRGKRZSA-N 1 0 387.322 2.884 20 0 GFADRO CC(C)[NH+]1CCN(CCCOC(=O)Cc2cccc(Br)c2)CC1 ZINC000791824068 658188599 /nfs/dbraw/zinc/18/85/99/658188599.db2.gz IMHLMHGKYRYIML-UHFFFAOYSA-N 1 0 383.330 2.951 20 0 GFADRO CC(C)[NH+]1CCN(CCCOC(=O)c2cc(N)cc(Br)c2)CC1 ZINC000792048296 658225475 /nfs/dbraw/zinc/22/54/75/658225475.db2.gz AZAYYUPOTPTNJZ-UHFFFAOYSA-N 1 0 384.318 2.604 20 0 GFADRO O=C(NC1CC[NH+](Cc2ccccn2)CC1)c1nc(Br)ccc1F ZINC000792068252 658227488 /nfs/dbraw/zinc/22/74/88/658227488.db2.gz OUBKQZNUSIZNGK-UHFFFAOYSA-N 1 0 393.260 2.773 20 0 GFADRO C[NH+](C)CC1CCN(Cn2c(=O)oc3cc(F)c(Br)cc32)CC1 ZINC000792705716 658314143 /nfs/dbraw/zinc/31/41/43/658314143.db2.gz MATGAZLNYQJKIP-UHFFFAOYSA-N 1 0 386.265 2.727 20 0 GFADRO COCC[C@H]([NH2+]CCCOC(=O)NC(N)=O)c1ccc(Cl)c(Cl)c1 ZINC000792929688 658331324 /nfs/dbraw/zinc/33/13/24/658331324.db2.gz XJVJQUBJKVNTCJ-ZDUSSCGKSA-N 1 0 378.256 2.856 20 0 GFADRO COc1cc(S(=O)(=O)N[C@H](C)[C@@H](c2ccccc2)[NH+](C)C)cnc1Cl ZINC000795165087 658699329 /nfs/dbraw/zinc/69/93/29/658699329.db2.gz WRSUWMFLISBSFZ-WBMJQRKESA-N 1 0 383.901 2.713 20 0 GFADRO Cc1cc(NS(=O)(=O)C2=Cc3cc(Br)ccc3OC2)cc[nH+]1 ZINC000795616065 658836094 /nfs/dbraw/zinc/83/60/94/658836094.db2.gz LMVGMTUXMIVWJM-UHFFFAOYSA-N 1 0 381.251 2.750 20 0 GFADRO CC(C)([NH2+]CC(=O)NCCc1cccc(Cl)c1Cl)C(=O)N1CCCC1 ZINC000796580713 658925251 /nfs/dbraw/zinc/92/52/51/658925251.db2.gz RACLENNPWWILQT-UHFFFAOYSA-N 1 0 386.323 2.643 20 0 GFADRO COc1c(C)cc([C@@H](C)[NH2+]C2CCN(CCS(C)(=O)=O)CC2)cc1Cl ZINC000796758875 658937630 /nfs/dbraw/zinc/93/76/30/658937630.db2.gz HDXZSPBDWDOEGY-CQSZACIVSA-N 1 0 388.961 2.817 20 0 GFADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC000797468217 659027768 /nfs/dbraw/zinc/02/77/68/659027768.db2.gz JWBDBQVYOXJSNF-VXGBXAGGSA-N 1 0 381.876 2.730 20 0 GFADRO CC1=C(Br)CN(C(=O)c2cccc(CN3CC[NH+](C)CC3)c2)CC1 ZINC000797778153 659050174 /nfs/dbraw/zinc/05/01/74/659050174.db2.gz ZOPNVYONBDRYOE-UHFFFAOYSA-N 1 0 392.341 2.949 20 0 GFADRO C[C@H]1C[NH+](CCCNC(=O)c2cc(C(F)(F)F)cc(Cl)n2)C[C@H](C)O1 ZINC000798155431 659076413 /nfs/dbraw/zinc/07/64/13/659076413.db2.gz MNVGWADTWJCEQZ-QWRGUYRKSA-N 1 0 379.810 2.983 20 0 GFADRO Cc1cc(C[NH+](C)C)cc(NC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)c1 ZINC000798336616 659095492 /nfs/dbraw/zinc/09/54/92/659095492.db2.gz WOHYCETYXVHWHF-UHFFFAOYSA-N 1 0 381.885 2.610 20 0 GFADRO C[C@@H]1CCC[N@@H+]1CCNS(=O)(=O)c1ccc(Cl)cc1Br ZINC000798453011 659107679 /nfs/dbraw/zinc/10/76/79/659107679.db2.gz SLNDJSKRFIFBMN-SNVBAGLBSA-N 1 0 381.723 2.865 20 0 GFADRO Cc1nc(CS(=O)(=O)NC[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)cs1 ZINC000798458102 659108377 /nfs/dbraw/zinc/10/83/77/659108377.db2.gz BLHOLENJVQVYRW-GOSISDBHSA-N 1 0 379.551 2.783 20 0 GFADRO O=C(OCCC[NH+]1CCCC1)[C@@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000800128541 659274394 /nfs/dbraw/zinc/27/43/94/659274394.db2.gz JTNZTSVDCVGTOD-CQSZACIVSA-N 1 0 395.297 2.831 20 0 GFADRO Nc1cccc(I)c1C(=O)OCCC[NH+]1CCCCC1 ZINC000800196822 659290454 /nfs/dbraw/zinc/29/04/54/659290454.db2.gz OGKFIIZIFNPIQM-UHFFFAOYSA-N 1 0 388.249 2.906 20 0 GFADRO Cc1nn(C)c(Br)c1C(=O)NCCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000801086156 659366551 /nfs/dbraw/zinc/36/65/51/659366551.db2.gz RRYCBRACEUILOX-STQMWFEESA-N 1 0 385.350 2.979 20 0 GFADRO Cc1nn(C)c(Br)c1C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000801083556 659366684 /nfs/dbraw/zinc/36/66/84/659366684.db2.gz KKGYXFPLFNDHJA-OAHLLOKOSA-N 1 0 391.313 2.885 20 0 GFADRO Cc1nc(SC(F)F)sc1CC(=O)OC[C@@H]1C[N@H+](C(C)C)CCO1 ZINC000802138297 659448785 /nfs/dbraw/zinc/44/87/85/659448785.db2.gz DTLZVIZYFHNRES-NSHDSACASA-N 1 0 380.482 2.961 20 0 GFADRO CS[C@@H]1CN(C(=O)c2cnn(Cc3ccccc3)c2Cl)C[C@H]1[NH+](C)C ZINC000802896287 659523910 /nfs/dbraw/zinc/52/39/10/659523910.db2.gz OQLNZKZATUXUTA-HZPDHXFCSA-N 1 0 378.929 2.702 20 0 GFADRO CC(C)[NH+]1CCC(NC(=O)COC(=O)c2ccc(C(F)(F)F)s2)CC1 ZINC000803865101 659611172 /nfs/dbraw/zinc/61/11/72/659611172.db2.gz GJGXUPFTBCULBX-UHFFFAOYSA-N 1 0 378.416 2.913 20 0 GFADRO CCCN(CC[NH+]1CCCC1)C(=O)CN1C(=S)N=NC1c1cccs1 ZINC000804441886 659647622 /nfs/dbraw/zinc/64/76/22/659647622.db2.gz MIXJDUMMIXUONK-UHFFFAOYSA-N 1 0 379.555 2.630 20 0 GFADRO C[N@H+](Cc1ccccc1)C1CN(C(=O)c2nc(Br)ccc2F)C1 ZINC000804532814 659653839 /nfs/dbraw/zinc/65/38/39/659653839.db2.gz LHXGTKRCFFVJGW-UHFFFAOYSA-N 1 0 378.245 2.940 20 0 GFADRO CCCN(CC[NH+]1CCCCC1)c1ncnc2c1c(Br)nn2C ZINC000804815517 659685460 /nfs/dbraw/zinc/68/54/60/659685460.db2.gz VRUOUTXWUAYFPK-UHFFFAOYSA-N 1 0 381.322 2.828 20 0 GFADRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(S(=O)(=O)c2cnc(Cl)c(F)c2)C1 ZINC000804963039 659703970 /nfs/dbraw/zinc/70/39/70/659703970.db2.gz ODXBAAUNDVIVCN-UPJWGTAASA-N 1 0 375.897 2.900 20 0 GFADRO C[C@@H](CNS(=O)(=O)Cc1cccc(Br)c1)[NH+]1CCCCC1 ZINC000804961137 659704116 /nfs/dbraw/zinc/70/41/16/659704116.db2.gz JHVMGMVWIQRMTL-ZDUSSCGKSA-N 1 0 375.332 2.743 20 0 GFADRO Cc1nn(C)c(Cl)c1S(=O)(=O)N(CC[NH+]1CCCCCC1)C1CCC1 ZINC000805127383 659746056 /nfs/dbraw/zinc/74/60/56/659746056.db2.gz ZIGSQZWPOMCNRG-UHFFFAOYSA-N 1 0 388.965 2.801 20 0 GFADRO C[C@@H]([NH2+][C@@H]1CCCN(S(=O)(=O)N(C)C)C1)c1ccc(SC(F)F)cc1 ZINC000806170812 659826825 /nfs/dbraw/zinc/82/68/25/659826825.db2.gz GHWSLYOKDJAFFX-TZMCWYRMSA-N 1 0 393.525 2.923 20 0 GFADRO C[C@@H](Sc1nc2ccccc2s1)C(=O)N[C@@H](CO)C[NH+]1CCCCC1 ZINC000808080564 659875622 /nfs/dbraw/zinc/87/56/22/659875622.db2.gz FMXDFWYSFNUZQH-ZIAGYGMSSA-N 1 0 379.551 2.740 20 0 GFADRO O=C(c1ccc(C2SCCCS2)cc1)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000808157367 659880292 /nfs/dbraw/zinc/88/02/92/659880292.db2.gz JCJIFTWPBJQHGZ-IAGOWNOFSA-N 1 0 378.563 2.836 20 0 GFADRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1Cn1nc(Br)c(=O)c2ccccc21 ZINC000808190004 659880863 /nfs/dbraw/zinc/88/08/63/659880863.db2.gz CHGVJVQTUXFBSE-ZFWWWQNUSA-N 1 0 391.313 2.675 20 0 GFADRO O=C(/C=C\c1cc(C(F)(F)F)ccc1Cl)N[C@H](CO)C[NH+]1CCCC1 ZINC000808221493 659882863 /nfs/dbraw/zinc/88/28/63/659882863.db2.gz QWUZXVVPUHINLD-XSHSDMCLSA-N 1 0 376.806 2.945 20 0 GFADRO O=C(Cc1csc(-c2ccc(Cl)cc2)n1)N[C@H](CO)C[NH+]1CCCC1 ZINC000808225221 659882928 /nfs/dbraw/zinc/88/29/28/659882928.db2.gz ZCFGDNSVGPVNRS-INIZCTEOSA-N 1 0 379.913 2.579 20 0 GFADRO Brc1c(C[NH2+][C@@H]2CCCC[C@H]2N2CCOCC2)nc2ccccn21 ZINC000809628648 659934610 /nfs/dbraw/zinc/93/46/10/659934610.db2.gz NZHHUGTUKCTZSN-GDBMZVCRSA-N 1 0 393.329 2.830 20 0 GFADRO Brc1ccn2cc(CNC3CC[NH+](C[C@H]4CCCO4)CC3)nc2c1 ZINC000810144648 659964433 /nfs/dbraw/zinc/96/44/33/659964433.db2.gz DGOXLNXWUGIFQT-QGZVFWFLSA-N 1 0 393.329 2.830 20 0 GFADRO COc1ccc(C[C@](C)(O)C[NH2+]Cc2c(Cl)nc(Cl)n2C)cc1OC ZINC000810174323 659965308 /nfs/dbraw/zinc/96/53/08/659965308.db2.gz RRICQMFNGNTHHO-KRWDZBQOSA-N 1 0 388.295 2.827 20 0 GFADRO COc1ccc(C[C@](C)(O)C[NH2+][C@@H]2CC[C@H]3SCCS[C@H]23)cc1OC ZINC000810255717 659968093 /nfs/dbraw/zinc/96/80/93/659968093.db2.gz OJKYXOHAFBBAPM-AXUOBQJMSA-N 1 0 383.579 2.967 20 0 GFADRO Cc1c(Br)cccc1C(=O)O[C@H]1CCCN(c2cc[nH+]c(N)n2)C1 ZINC000810771200 659985376 /nfs/dbraw/zinc/98/53/76/659985376.db2.gz SXZKSDBESFVCRE-LBPRGKRZSA-N 1 0 391.269 2.956 20 0 GFADRO CSC1(CNC(=O)c2cc(Cl)nc(N3CCCC3)c2)CC[NH+](C)CC1 ZINC000810878937 659989294 /nfs/dbraw/zinc/98/92/94/659989294.db2.gz CKDVLUUFELKJMK-UHFFFAOYSA-N 1 0 382.961 2.892 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)N[C@@H](CO)c2cccc(Br)c2)C1 ZINC000810938189 659990913 /nfs/dbraw/zinc/99/09/13/659990913.db2.gz DKHLPWNUYLXRDB-WMLDXEAASA-N 1 0 387.293 2.811 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)N1CC(O)(c2ccc(Cl)cc2)C1)c1cccs1 ZINC000811659388 660014012 /nfs/dbraw/zinc/01/40/12/660014012.db2.gz WOOOYGOOJTZULI-OAHLLOKOSA-N 1 0 379.913 2.917 20 0 GFADRO CC[N@H+](C[C@@H](C)OC)Cn1ncc2c1ccc(Br)c2C(=O)OC ZINC000812302233 660023070 /nfs/dbraw/zinc/02/30/70/660023070.db2.gz RQOFCMIHAXUZQB-LLVKDONJSA-N 1 0 384.274 2.900 20 0 GFADRO CCN(C[C@@H](C)OC)CN1C(=O)C[C@](C)(c2ccc(Br)cc2)C1=O ZINC000812303079 660023197 /nfs/dbraw/zinc/02/31/97/660023197.db2.gz KTERLHRTXORLGZ-FZKQIMNGSA-N 1 0 397.313 2.780 20 0 GFADRO COc1cc(Br)ccc1CCC(=O)N1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000812340742 660025140 /nfs/dbraw/zinc/02/51/40/660025140.db2.gz GTCRYNQFQCKDOA-LSDHHAIUSA-N 1 0 381.314 2.800 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)Nc2ccc(I)cn2)C1 ZINC000813020881 660040585 /nfs/dbraw/zinc/04/05/85/660040585.db2.gz DTZVJKIQQVINPX-AWEZNQCLSA-N 1 0 391.228 2.837 20 0 GFADRO Cc1nn(C)c(Br)c1C(=O)N[C@@H](C[NH+](C)C)c1ccc(F)cc1 ZINC000813618121 660058262 /nfs/dbraw/zinc/05/82/62/660058262.db2.gz IPLQYPYUEKLTKF-ZDUSSCGKSA-N 1 0 383.265 2.663 20 0 GFADRO C[N@@H+]1CC[C@@]2(CCN(C(=O)NCCc3ccc(Br)cc3F)C2)C1 ZINC000813634680 660058470 /nfs/dbraw/zinc/05/84/70/660058470.db2.gz RZXGQSXXZPTMQH-QGZVFWFLSA-N 1 0 384.293 2.868 20 0 GFADRO C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H](Cc3ccc(Br)cc3)C2)CCO1 ZINC000814677150 660093577 /nfs/dbraw/zinc/09/35/77/660093577.db2.gz APKBQGFPLGWXHA-ZBFHGGJFSA-N 1 0 381.314 2.561 20 0 GFADRO COC(=O)[C@@H]1CC[N@H+](C[C@@](C)(O)c2ccc(Br)cc2Cl)C1 ZINC000815021172 660102751 /nfs/dbraw/zinc/10/27/51/660102751.db2.gz LYFNBHKVRNFVFK-MEBBXXQBSA-N 1 0 376.678 2.805 20 0 GFADRO Cc1cc2cc(S(=O)(=O)N[C@@H]3C[N@H+](C4CC4)C[C@@H]3C)ccc2nc1Cl ZINC000815025163 660103323 /nfs/dbraw/zinc/10/33/23/660103323.db2.gz DZPDLQIMYMFPCK-YVEFUNNKSA-N 1 0 379.913 2.958 20 0 GFADRO Brc1cccc2c1C[C@@H]([NH2+]C[C@@H]1COC3(CCOCC3)O1)CC2 ZINC000815135061 660114201 /nfs/dbraw/zinc/11/42/01/660114201.db2.gz IFVVPHBMNCZPJN-LSDHHAIUSA-N 1 0 382.298 2.818 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cn3c(Br)cnc3s2)[C@@H](C)C1 ZINC000815684446 660128333 /nfs/dbraw/zinc/12/83/33/660128333.db2.gz OKWJCLGIIRIOQK-QWRGUYRKSA-N 1 0 385.331 2.961 20 0 GFADRO OC[C@]1([C@H]([NH2+]Cc2ccccc2I)C2CC2)CCCO1 ZINC000816666565 660164695 /nfs/dbraw/zinc/16/46/95/660164695.db2.gz QCRAWRPRLAFFRO-CVEARBPZSA-N 1 0 387.261 2.701 20 0 GFADRO C[C@@H]1[C@@H](C)[C@H](C)C[N@@H+]1CN1C(=O)C(=O)N(c2ccc(Br)cc2)C1=O ZINC000841689266 661308849 /nfs/dbraw/zinc/30/88/49/661308849.db2.gz IUUPIOIFHHSLJN-GRYCIOLGSA-N 1 0 394.269 2.678 20 0 GFADRO O=C(NCCc1ccc(Br)cc1F)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000841795707 661314011 /nfs/dbraw/zinc/31/40/11/661314011.db2.gz VRGAHGWMHFYMFW-VNHYZAJKSA-N 1 0 384.293 2.818 20 0 GFADRO CN(C(=O)N[C@@H]1CCN(c2ccccc2Br)C1)C1CCC([NH3+])CC1 ZINC000841804396 661315533 /nfs/dbraw/zinc/31/55/33/661315533.db2.gz DENMIRXFKGYEAA-SHARSMKWSA-N 1 0 395.345 2.939 20 0 GFADRO CN(C[C@H](O)c1ccccc1Br)C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000841972347 661318679 /nfs/dbraw/zinc/31/86/79/661318679.db2.gz FZARFSXWIDEVQO-DOTOQJQBSA-N 1 0 384.318 2.514 20 0 GFADRO O=C(NCc1ccc2c(c1)C[NH2+]C2)NC[C@@H](O)c1ccccc1Br ZINC000841980210 661319018 /nfs/dbraw/zinc/31/90/18/661319018.db2.gz JQDHLVTVEVWFFW-QGZVFWFLSA-N 1 0 390.281 2.585 20 0 GFADRO C[C@H](CN1C(=O)[C@@H]2Cc3c(Br)cccc3CN2C1=O)[N@H+](C)C1CC1 ZINC000842240797 661329361 /nfs/dbraw/zinc/32/93/61/661329361.db2.gz VMIPGWTYBLIYGN-BZNIZROVSA-N 1 0 392.297 2.621 20 0 GFADRO C[NH+](C)CCN(C(=O)c1cc(=O)c2cc(Br)ccc2o1)C1CC1 ZINC000842251186 661330164 /nfs/dbraw/zinc/33/01/64/661330164.db2.gz OGGOTRMQRLVOJC-UHFFFAOYSA-N 1 0 379.254 2.722 20 0 GFADRO [NH3+][C@@H]1CCO[C@@H](C2CCN(S(=O)(=O)/C=C/c3cccc(Cl)c3)CC2)C1 ZINC000842484697 661341722 /nfs/dbraw/zinc/34/17/22/661341722.db2.gz LAPKFLANMIKVNT-VAOBHQIWSA-N 1 0 384.929 2.859 20 0 GFADRO [NH3+][C@@H]1CCCO[C@H]1C1CCN(S(=O)(=O)/C=C/c2ccccc2Cl)CC1 ZINC000842484803 661341787 /nfs/dbraw/zinc/34/17/87/661341787.db2.gz AJUBNPGWLSLUIF-IDPXHPCFSA-N 1 0 384.929 2.859 20 0 GFADRO O=C1c2ccc(Br)cc2C(=O)N1C[N@@H+]1CCC[C@H]1[C@H]1CCCOC1 ZINC000842615283 661345306 /nfs/dbraw/zinc/34/53/06/661345306.db2.gz LMHTVFQNHLWVOR-LRDDRELGSA-N 1 0 393.281 2.894 20 0 GFADRO C[C@H](NC(=O)c1ccc(Br)s1)c1nc([C@@H]2CCC[NH2+]C2)no1 ZINC000842665618 661348151 /nfs/dbraw/zinc/34/81/51/661348151.db2.gz RPMAGPUPKOKMAU-DTWKUNHWSA-N 1 0 385.287 2.852 20 0 GFADRO O=C1[C@H](c2nc([C@H]3CCC[NH2+]C3)no2)CCN1c1ccccc1Br ZINC000842666218 661348171 /nfs/dbraw/zinc/34/81/71/661348171.db2.gz XDBROLCZJQZJMA-RYUDHWBXSA-N 1 0 391.269 2.820 20 0 GFADRO CCN(OC)C(=O)C[NH2+]Cc1cc(Br)c(OC(F)F)c(OC)c1 ZINC000842768085 661353222 /nfs/dbraw/zinc/35/32/22/661353222.db2.gz HBFXPFOKCHXIJO-UHFFFAOYSA-N 1 0 397.216 2.559 20 0 GFADRO COc1c(Br)cc(Cl)cc1S(=O)(=O)N1CCC(C)([NH3+])CC1 ZINC000842773359 661353475 /nfs/dbraw/zinc/35/34/75/661353475.db2.gz NEBGPPRKGPXFAA-UHFFFAOYSA-N 1 0 397.722 2.613 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H]2CN(S(=O)(=O)/C=C/c3ccc(Br)cc3)C[C@H]21 ZINC000842793721 661354563 /nfs/dbraw/zinc/35/45/63/661354563.db2.gz MYWHVSQFISSYQJ-TVTKMGCBSA-N 1 0 385.327 2.809 20 0 GFADRO [NH3+]C1CC2(C1)CC(NS(=O)(=O)Cc1cc(Cl)ccc1Br)C2 ZINC000842796251 661354775 /nfs/dbraw/zinc/35/47/75/661354775.db2.gz AUDYKGRYHDTHHH-UHFFFAOYSA-N 1 0 393.734 2.792 20 0 GFADRO O=S(=O)(c1cc(Cl)ccc1OC(F)F)N1CCC2(C1)CC[NH2+]CC2 ZINC000842825683 661356539 /nfs/dbraw/zinc/35/65/39/661356539.db2.gz XNCHNKINPJGVPO-UHFFFAOYSA-N 1 0 380.844 2.706 20 0 GFADRO CC(C)[N@@H+]1CCC[C@@H](COC(=O)c2ccc(I)cn2)C1 ZINC000842829172 661356672 /nfs/dbraw/zinc/35/66/72/661356672.db2.gz IJMVPVQQWQSZAR-GFCCVEGCSA-N 1 0 388.249 2.963 20 0 GFADRO O=S(=O)(/C=C\c1ccc(Br)cc1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000842861113 661357468 /nfs/dbraw/zinc/35/74/68/661357468.db2.gz RORCFISWWYTTRS-BCTQVIJGSA-N 1 0 385.327 2.825 20 0 GFADRO O[C@H](C[NH2+]C[C@@H](O)c1cccc(F)c1)COc1ccccc1Br ZINC000843094267 661367356 /nfs/dbraw/zinc/36/73/56/661367356.db2.gz KDFREVQXRAKNQP-GDBMZVCRSA-N 1 0 384.245 2.651 20 0 GFADRO CN(Cc1ccccc1)C[C@H](O)C[NH2+]C[C@@H](O)c1ccccc1Br ZINC000843092440 661367422 /nfs/dbraw/zinc/36/74/22/661367422.db2.gz CZMNFSNKUAYHOX-VQIMIIECSA-N 1 0 393.325 2.565 20 0 GFADRO C[C@H]([NH2+]C[C@@H](O)COC1CCOCC1)[C@H](O)c1c(Cl)cccc1Cl ZINC000843103578 661368097 /nfs/dbraw/zinc/36/80/97/661368097.db2.gz MOGWJZJWOLUUBJ-JKDFXYPNSA-N 1 0 378.296 2.561 20 0 GFADRO Cc1ccc(OC[C@H](O)C[NH2+]C[C@H](O)c2cccc(Br)c2)cc1 ZINC000843111536 661368791 /nfs/dbraw/zinc/36/87/91/661368791.db2.gz FZTMCADLUCWMGW-AEFFLSMTSA-N 1 0 380.282 2.820 20 0 GFADRO C[C@](O)(C[NH2+][C@H]1COc2ccccc2[C@@H]1O)c1ccc(Br)cc1F ZINC000843116383 661369544 /nfs/dbraw/zinc/36/95/44/661369544.db2.gz NHTJFLIVTDDEBL-SZMVWBNQSA-N 1 0 396.256 2.880 20 0 GFADRO O[C@H](C[NH2+][C@@H]1COc2ccccc2[C@@H]1O)c1ccc(F)c(Br)c1 ZINC000843118107 661369718 /nfs/dbraw/zinc/36/97/18/661369718.db2.gz WNRWIBZEUKPEGP-INMHGKMJSA-N 1 0 382.229 2.706 20 0 GFADRO OCC1([C@H]([NH2+]C[C@H](O)c2cccc(Br)c2)[C@@H]2CCCO2)CCC1 ZINC000843118426 661369868 /nfs/dbraw/zinc/36/98/68/661369868.db2.gz ZDARFUVOQCVRJI-YESZJQIVSA-N 1 0 384.314 2.782 20 0 GFADRO Ic1ccccc1CN1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000843117653 661369938 /nfs/dbraw/zinc/36/99/38/661369938.db2.gz RQQBQLSEPLVOBA-MRXNPFEDSA-N 1 0 379.245 2.833 20 0 GFADRO [NH3+]CCc1noc([C@H]2CCCCN2C(=O)c2ccc(Br)c(F)c2)n1 ZINC000843132281 661370341 /nfs/dbraw/zinc/37/03/41/661370341.db2.gz QPGJCZKINMSLMA-CYBMUJFWSA-N 1 0 397.248 2.840 20 0 GFADRO COc1ccc(-c2nc(C3CC[NH2+]CC3)no2)c(I)c1 ZINC000843139172 661370746 /nfs/dbraw/zinc/37/07/46/661370746.db2.gz BIFZSISHFJCWKM-UHFFFAOYSA-N 1 0 385.205 2.817 20 0 GFADRO Brc1ccc(C2(c3noc([C@@H]4C[NH2+]CCO4)n3)CCOCC2)cc1 ZINC000843229536 661374429 /nfs/dbraw/zinc/37/44/29/661374429.db2.gz AAERGFAIDSRIBW-AWEZNQCLSA-N 1 0 394.269 2.590 20 0 GFADRO CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)CO[C@@H]1CCC[NH2+]C1 ZINC000843371334 661378789 /nfs/dbraw/zinc/37/87/89/661378789.db2.gz LDQQNMLKNWREHZ-GFCCVEGCSA-N 1 0 388.295 2.549 20 0 GFADRO CCOC(=O)Nc1ccc(Br)cc1NC(=O)[C@H]([NH3+])CC(F)F ZINC000843492397 661383322 /nfs/dbraw/zinc/38/33/22/661383322.db2.gz RVLPZNBVIYBMNN-MRVPVSSYSA-N 1 0 380.189 2.939 20 0 GFADRO C[C@@H](CN(C)C(=O)CO[C@@H]1CCC[NH2+]C1)Oc1ccc(Cl)c(Cl)c1 ZINC000843495298 661383408 /nfs/dbraw/zinc/38/34/08/661383408.db2.gz MODUISCVUSLSNN-GXTWGEPZSA-N 1 0 375.296 2.988 20 0 GFADRO CC(C)(CCC[NH3+])NC(=O)Cc1csc(NC(=O)Cc2cccs2)n1 ZINC000844196888 661409389 /nfs/dbraw/zinc/40/93/89/661409389.db2.gz CNUWZEZAGJUMHX-UHFFFAOYSA-N 1 0 380.539 2.562 20 0 GFADRO CC(C)[C@H]([NH2+]Cc1cc(Cl)cc(S(N)(=O)=O)c1)[C@H](O)c1ccccc1 ZINC000844326647 661415170 /nfs/dbraw/zinc/41/51/70/661415170.db2.gz JBGPJPFGYIDUAL-ZWKOTPCHSA-N 1 0 382.913 2.835 20 0 GFADRO CC(C)(C)OC(=O)[C@@H]1CC(=O)N(C2CC[NH+](C[C@H]3CC3(Cl)Cl)CC2)C1 ZINC000844361953 661416986 /nfs/dbraw/zinc/41/69/86/661416986.db2.gz VWVPLBGDFNUJPN-CHWSQXEVSA-N 1 0 391.339 2.835 20 0 GFADRO C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)NCCC[C@@H]1CC1(Cl)Cl ZINC000844553099 661427607 /nfs/dbraw/zinc/42/76/07/661427607.db2.gz UNDJFMAULLIABQ-CYBMUJFWSA-N 1 0 387.311 2.943 20 0 GFADRO CC(C)C[N@H+](C)CCCNC(=O)c1ccc(CS(=O)(=O)C(F)F)cc1 ZINC000844658379 661432468 /nfs/dbraw/zinc/43/24/68/661432468.db2.gz XQMKHOXKALIGTQ-UHFFFAOYSA-N 1 0 376.469 2.532 20 0 GFADRO C[N@@H+]1CC[C@@]2(CCN(CN3CC(c4ccc(Br)cc4)=CC3=O)C2)C1 ZINC000844705028 661436092 /nfs/dbraw/zinc/43/60/92/661436092.db2.gz DPGIGXFBFARFOS-LJQANCHMSA-N 1 0 390.325 2.660 20 0 GFADRO Cn1nc(C(F)(F)F)c(CN2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)c1Cl ZINC000844903154 661448964 /nfs/dbraw/zinc/44/89/64/661448964.db2.gz TYEWLDGIBKRNEJ-GVXVVHGQSA-N 1 0 380.842 2.811 20 0 GFADRO CC[C@@H](c1noc([C@]23C[NH2+]C[C@H]2COC3)n1)c1ccc(Br)cc1 ZINC000844916887 661449172 /nfs/dbraw/zinc/44/91/72/661449172.db2.gz YGBDVMSDEQDUFN-QEORTHHSSA-N 1 0 378.270 2.861 20 0 GFADRO COc1ccc(Br)cc1C1(c2noc([C@H](N)CC[NH+](C)C)n2)CC1 ZINC000844924493 661449477 /nfs/dbraw/zinc/44/94/77/661449477.db2.gz RLHUPLGTLXLLFH-CYBMUJFWSA-N 1 0 395.301 2.872 20 0 GFADRO CC(C)Oc1cc(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)ccc1Br ZINC000845344949 661467557 /nfs/dbraw/zinc/46/75/57/661467557.db2.gz YRZJUDWCFHVSQY-LSDHHAIUSA-N 1 0 397.313 2.829 20 0 GFADRO C[C@]1(CCNC(=O)N2CCC(OCC[NH+]3CCCC3)CC2)C[C@@]1(F)Cl ZINC000845410133 661469488 /nfs/dbraw/zinc/46/94/88/661469488.db2.gz LDWOKEPJFIFWSW-ROUUACIJSA-N 1 0 375.916 2.978 20 0 GFADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NCCC[C@@H]1CC1(Cl)Cl ZINC000845673588 661488616 /nfs/dbraw/zinc/48/86/16/661488616.db2.gz HJPPUAUUFKGEFR-ZIAGYGMSSA-N 1 0 378.344 2.855 20 0 GFADRO COc1ccc(Br)cc1C(=O)CCC(=O)NOC1CC[NH+](C)CC1 ZINC000846647597 661560647 /nfs/dbraw/zinc/56/06/47/661560647.db2.gz WINOTONICUJQKO-UHFFFAOYSA-N 1 0 399.285 2.563 20 0 GFADRO C[C@@]1(CCNC(=O)C(=O)NCCCCC[NH+]2CCCCC2)C[C@]1(F)Cl ZINC000846728851 661563145 /nfs/dbraw/zinc/56/31/45/661563145.db2.gz BQUMETRKJICKMK-QZTJIDSGSA-N 1 0 375.916 2.580 20 0 GFADRO Cc1cc(NC(=O)N2CCC[C@@H]([NH+]3CCOCC3)CC2)cnc1Br ZINC000847166855 661578276 /nfs/dbraw/zinc/57/82/76/661578276.db2.gz NEBGXFBKTANHNX-OAHLLOKOSA-N 1 0 397.317 2.871 20 0 GFADRO Cc1c(Br)nccc1NC(=O)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000847192102 661580868 /nfs/dbraw/zinc/58/08/68/661580868.db2.gz JBJQDDMFJIMRAB-AWEZNQCLSA-N 1 0 397.317 2.871 20 0 GFADRO O=C(NC[C@H](O)c1cccc(Br)c1)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000847446914 661592608 /nfs/dbraw/zinc/59/26/08/661592608.db2.gz KWACPYSKUWQPNW-ULQDDVLXSA-N 1 0 396.329 2.799 20 0 GFADRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)c2cnc(F)c(Br)c2)C1 ZINC000847543911 661596232 /nfs/dbraw/zinc/59/62/32/661596232.db2.gz SHHZBKYRYADHNS-ZDUSSCGKSA-N 1 0 388.281 2.556 20 0 GFADRO C[C@@H](COC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl)[NH+]1CCCCC1 ZINC000847958388 661618664 /nfs/dbraw/zinc/61/86/64/661618664.db2.gz JCTWOVBHTJFMQG-ZDUSSCGKSA-N 1 0 388.917 2.622 20 0 GFADRO C[C@H](C[NH2+]Cc1ccccc1I)N1C[C@@H](C)O[C@@H](C)C1 ZINC000848562908 661665407 /nfs/dbraw/zinc/66/54/07/661665407.db2.gz MDBICPXFZFCXSK-MCIONIFRSA-N 1 0 388.293 2.879 20 0 GFADRO Cc1c(Br)cccc1CS(=O)(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000848600672 661667114 /nfs/dbraw/zinc/66/71/14/661667114.db2.gz TZNHIDDPVVOXPF-INIZCTEOSA-N 1 0 387.343 2.663 20 0 GFADRO O=C(Cc1noc([C@H]2C[C@@]23CCC[NH2+]C3)n1)Nc1ccccc1Br ZINC000848628732 661668719 /nfs/dbraw/zinc/66/87/19/661668719.db2.gz XXJMFPDMZQIBRI-PIGZYNQJSA-N 1 0 391.269 2.870 20 0 GFADRO O=S(=O)(Cc1noc([C@@H]2C[C@@]23CCC[NH2+]C3)n1)Cc1ccc(Cl)cc1 ZINC000848629734 661668815 /nfs/dbraw/zinc/66/88/15/661668815.db2.gz FOBCOWMXSHSICY-WMLDXEAASA-N 1 0 381.885 2.695 20 0 GFADRO O=C(NCc1noc([C@@H]2C[C@@]23CCC[NH2+]C3)n1)c1ccc(Br)cc1 ZINC000848630898 661668910 /nfs/dbraw/zinc/66/89/10/661668910.db2.gz AMNRQDONWUYVHI-SUMWQHHRSA-N 1 0 391.269 2.619 20 0 GFADRO Cc1nn(-c2ccc(Cl)cc2)c(Cl)c1CN1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000848926598 661689597 /nfs/dbraw/zinc/68/95/97/661689597.db2.gz TYPSQBHXCHSLFF-JKSUJKDBSA-N 1 0 381.307 2.738 20 0 GFADRO Cc1cccc([C@H]2C(=O)NCCN2C[C@@H](O)c2ccc(Br)cc2)c1 ZINC000848950801 661689975 /nfs/dbraw/zinc/68/99/75/661689975.db2.gz KRDMKSHOFJBACT-MSOLQXFVSA-N 1 0 389.293 2.964 20 0 GFADRO CC(C)CCC[C@@H](C)NC(=[NH2+])NCCNS(=O)(=O)c1cccc(Cl)c1 ZINC000849059788 661690798 /nfs/dbraw/zinc/69/07/98/661690798.db2.gz NNZJQIYFQDYZKK-CQSZACIVSA-N 1 0 388.965 2.947 20 0 GFADRO [NH2+]=C(NCc1n[nH]cc1Br)NCc1ccc(OC(F)(F)F)cc1 ZINC000849099022 661691898 /nfs/dbraw/zinc/69/18/98/661691898.db2.gz BNQOWCPTFWJEHN-UHFFFAOYSA-N 1 0 392.179 2.885 20 0 GFADRO COc1ccc(Br)cc1C[C@@H](CO)CNC(=[NH2+])NC1CCCC1 ZINC000849109872 661692338 /nfs/dbraw/zinc/69/23/38/661692338.db2.gz KGNHLYRCJGNUPP-GFCCVEGCSA-N 1 0 384.318 2.665 20 0 GFADRO CC(=O)NCc1ccc(C[NH2+]C[C@@H](O)c2cccc(Br)c2)cc1 ZINC000849326960 661705868 /nfs/dbraw/zinc/70/58/68/661705868.db2.gz HBMDBKPREVIQQX-GOSISDBHSA-N 1 0 377.282 2.908 20 0 GFADRO C[C@H](C1=CC[N@H+](C)CC1)N1C(=O)N[C@@H](c2ccccc2Br)C1=O ZINC000849354834 661708910 /nfs/dbraw/zinc/70/89/10/661708910.db2.gz WZLCOBSWHANASV-ABAIWWIYSA-N 1 0 378.270 2.692 20 0 GFADRO Cc1cc(NC(=O)[C@@H]2CC[N@@H+](C)C[C@@H]2c2cnn(C)c2)cnc1Br ZINC000849573989 661734705 /nfs/dbraw/zinc/73/47/05/661734705.db2.gz UFSQGMFQEQBRSF-HUUCEWRRSA-N 1 0 392.301 2.560 20 0 GFADRO Cn1cc([C@@H](O)C[NH2+]Cc2cc(Cl)ccc2I)cn1 ZINC000850159347 661766572 /nfs/dbraw/zinc/76/65/72/661766572.db2.gz DSFNOOAXCYFDGS-ZDUSSCGKSA-N 1 0 391.640 2.501 20 0 GFADRO Cc1cc(Br)cn2c(C[NH2+]CC[S@](=O)CC(F)(F)F)cnc12 ZINC000850348108 661770725 /nfs/dbraw/zinc/77/07/25/661770725.db2.gz FSHSDTTXNWGOKA-QFIPXVFZSA-N 1 0 398.248 2.806 20 0 GFADRO O=S(=O)(CC[NH2+]Cc1ccc(F)c(Br)c1)CC(F)(F)F ZINC000850364275 661772343 /nfs/dbraw/zinc/77/23/43/661772343.db2.gz XWZXPPPWSVNFAG-UHFFFAOYSA-N 1 0 378.185 2.655 20 0 GFADRO Ic1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CN3CCC[C@H]3CO1)CC2 ZINC000850434017 661775998 /nfs/dbraw/zinc/77/59/98/661775998.db2.gz UAFRRACMFYAHAE-ZMSDIMECSA-N 1 0 398.288 2.731 20 0 GFADRO CS[C@H](CO)[C@@H](C)[NH2+][C@H]1CCN(C(=O)C(F)(F)F)Cc2ccccc21 ZINC000850435948 661776013 /nfs/dbraw/zinc/77/60/13/661776013.db2.gz GNXUKRUWKUYJMZ-BYCMXARLSA-N 1 0 376.444 2.724 20 0 GFADRO C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+]CC[S@@](=O)CC(F)(F)F ZINC000850491959 661778650 /nfs/dbraw/zinc/77/86/50/661778650.db2.gz BJKIPJKVHBNAQL-UXGGDIESSA-N 1 0 386.480 2.923 20 0 GFADRO C[C@@H]([NH2+]CCNC(=O)c1ccc(Br)cn1)c1cccnc1Cl ZINC000850495192 661779134 /nfs/dbraw/zinc/77/91/34/661779134.db2.gz XYWZPLZIIBXAAL-SNVBAGLBSA-N 1 0 383.677 2.973 20 0 GFADRO CC(C)CC1([NH2+][C@H](C)c2cccc(N(S(C)(=O)=O)S(C)(=O)=O)c2)CC1 ZINC000850565619 661781814 /nfs/dbraw/zinc/78/18/14/661781814.db2.gz DQSPTCSENCVKRX-CQSZACIVSA-N 1 0 388.555 2.642 20 0 GFADRO CCN(C(=O)C(=O)Nc1ccccc1SC(F)(F)F)[C@H]1CC[N@H+](C)C1 ZINC000850582669 661782054 /nfs/dbraw/zinc/78/20/54/661782054.db2.gz GUZZFVGPNDZXRX-NSHDSACASA-N 1 0 375.416 2.790 20 0 GFADRO CC(C)(C)n1ncc(C(=O)N2c3ccccc3C[C@@H]2C[NH3+])c1Br ZINC000850713042 661788045 /nfs/dbraw/zinc/78/80/45/661788045.db2.gz BHMGLMYIBFQTKH-GFCCVEGCSA-N 1 0 377.286 2.931 20 0 GFADRO O=C(NC[C@@H]1[NH2+]CCc2ccccc21)c1sc2c(c1Br)CNC2 ZINC000851634783 661826944 /nfs/dbraw/zinc/82/69/44/661826944.db2.gz GLQWBDFXDSSSBF-ZDUSSCGKSA-N 1 0 392.322 2.731 20 0 GFADRO C[C@@]1(C(=O)Nc2cccc(OCC[NH3+])c2)CC1(Br)Br ZINC000851632208 661826960 /nfs/dbraw/zinc/82/69/60/661826960.db2.gz NPLGWPOYMFCUCW-LBPRGKRZSA-N 1 0 392.091 2.859 20 0 GFADRO C[C@H](c1ccccc1Br)[N@H+](C)C[C@@](O)(C(N)=O)c1ccccc1 ZINC000851738601 661830040 /nfs/dbraw/zinc/83/00/40/661830040.db2.gz MCPFATXQRYXMGA-ACJLOTCBSA-N 1 0 377.282 2.815 20 0 GFADRO C[N@H+](CCN1CCN(CC(F)(F)Br)CC1)Cc1ccccc1 ZINC000851765857 661831083 /nfs/dbraw/zinc/83/10/83/661831083.db2.gz ZNJWBSCTXQJPHR-UHFFFAOYSA-N 1 0 376.289 2.724 20 0 GFADRO CO[C@@H]1CC[C@H]([NH+]2CCN(C(=O)COc3ccc(Br)cc3)CC2)C1 ZINC000851768713 661831321 /nfs/dbraw/zinc/83/13/21/661831321.db2.gz OCIAWHSFBWGFBB-DOTOQJQBSA-N 1 0 397.313 2.540 20 0 GFADRO CO[C@H]1CC[C@H]([NH+]2CCN(CC(=O)Nc3ccc(Br)cc3)CC2)C1 ZINC000851816712 661834058 /nfs/dbraw/zinc/83/40/58/661834058.db2.gz WCEVTWPJQLLAIA-IRXDYDNUSA-N 1 0 396.329 2.573 20 0 GFADRO O=C(Nc1ccc(Br)cn1)[C@@H]1CCC[N@@H+](CCOC(F)F)C1 ZINC000851825748 661835407 /nfs/dbraw/zinc/83/54/07/661835407.db2.gz QPUHTTGORUBKIO-SNVBAGLBSA-N 1 0 378.217 2.734 20 0 GFADRO O=C(Nc1ccc(Br)cc1)C1CC[NH+](C[C@H]2CCC(=O)O2)CC1 ZINC000851834629 661836853 /nfs/dbraw/zinc/83/68/53/661836853.db2.gz YIXWZKMONKFXIY-OAHLLOKOSA-N 1 0 381.270 2.805 20 0 GFADRO Brc1ncn(CC[N@@H+]2CCC[C@H]2Cn2cnc3ccccc32)n1 ZINC000851867262 661840823 /nfs/dbraw/zinc/84/08/23/661840823.db2.gz BXYJSISACIIDNO-ZDUSSCGKSA-N 1 0 375.274 2.555 20 0 GFADRO NC(=O)[C@](O)(C[N@H+](Cc1csc(Br)c1)C1CC1)c1ccccc1 ZINC000851865366 661840858 /nfs/dbraw/zinc/84/08/58/661840858.db2.gz UYRQKVOMMAYBCU-KRWDZBQOSA-N 1 0 395.322 2.848 20 0 GFADRO Brc1ncn(CC[N@@H+]2CCC[C@@H]2Cn2cnc3ccccc32)n1 ZINC000851867261 661840866 /nfs/dbraw/zinc/84/08/66/661840866.db2.gz BXYJSISACIIDNO-CYBMUJFWSA-N 1 0 375.274 2.555 20 0 GFADRO CCOP(=O)(OCC)[C@H](O)C[NH2+][C@H](CO)c1cccc(Br)c1 ZINC000851918870 661845944 /nfs/dbraw/zinc/84/59/44/661845944.db2.gz KQTOXUATHXQQEC-KGLIPLIRSA-N 1 0 396.218 2.657 20 0 GFADRO COC(=O)N1CCC([C@@H](C)[NH2+]Cc2cc(Br)cnc2OC)CC1 ZINC000851952254 661846802 /nfs/dbraw/zinc/84/68/02/661846802.db2.gz JUPFJVMFVKXKDL-LLVKDONJSA-N 1 0 386.290 2.809 20 0 GFADRO O=C(NCCSC(F)(F)F)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000851983566 661847763 /nfs/dbraw/zinc/84/77/63/661847763.db2.gz JUWYCSZKMHZDPL-UHFFFAOYSA-N 1 0 376.448 2.846 20 0 GFADRO CCOP(=O)(OCC)[C@@H](O)C[N@@H+]1CC[C@H](NC(=O)OC(C)(C)C)[C@@H]1C ZINC000852053976 661851154 /nfs/dbraw/zinc/85/11/54/661851154.db2.gz LUNQPKRDOXSNDZ-MELADBBJSA-N 1 0 380.422 2.558 20 0 GFADRO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)N1CCn2ncc(Br)c2C1 ZINC000852080613 661851960 /nfs/dbraw/zinc/85/19/60/661851960.db2.gz DZZSELZOGXDGPU-AWEZNQCLSA-N 1 0 398.349 2.825 20 0 GFADRO C[C@](CO)([NH2+]CCn1cnc(Br)n1)c1cc(Cl)cc(Cl)c1 ZINC000852143481 661854354 /nfs/dbraw/zinc/85/43/54/661854354.db2.gz OHUJMAKGISRKEL-CYBMUJFWSA-N 1 0 394.100 2.845 20 0 GFADRO CCOP(=O)(OCC)[C@H](O)C[N@H+](C)C1CCN(CC(F)(F)F)CC1 ZINC000852148268 661854539 /nfs/dbraw/zinc/85/45/39/661854539.db2.gz SAXDDCRBIIDEEK-ZDUSSCGKSA-N 1 0 376.356 2.529 20 0 GFADRO COCC[N@H+](C)CCCC1CCN(C(=O)NCC2SCCS2)CC1 ZINC000852665649 661869932 /nfs/dbraw/zinc/86/99/32/661869932.db2.gz IEIDLAGMLJKLTH-UHFFFAOYSA-N 1 0 375.604 2.573 20 0 GFADRO CN(C[C@@H](O)C[NH2+][C@@H](CO)c1cccc(Cl)c1Cl)C(=O)OC(C)(C)C ZINC000852678314 661870919 /nfs/dbraw/zinc/87/09/19/661870919.db2.gz AQGJCEBNUGXRRV-FZMZJTMJSA-N 1 0 393.311 2.844 20 0 GFADRO CC(C)(C)OC(=O)NCC[C@@H](O)C[NH2+][C@@H](CO)c1cccc(Cl)c1Cl ZINC000852679680 661871289 /nfs/dbraw/zinc/87/12/89/661871289.db2.gz XXAZQBGQRSIPLB-RISCZKNCSA-N 1 0 393.311 2.892 20 0 GFADRO O=C(C=C1CC[NH2+]CC1)NCC1(c2ccc(Br)cc2)CCOCC1 ZINC000852829120 661875455 /nfs/dbraw/zinc/87/54/55/661875455.db2.gz AXADGAVDQAKNPM-UHFFFAOYSA-N 1 0 393.325 2.923 20 0 GFADRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)c3cnn(-c4ccccc4)c3Br)C[C@H]21 ZINC000852876362 661876239 /nfs/dbraw/zinc/87/62/39/661876239.db2.gz ZMKXIFYYNZIKTL-APHBMKBZSA-N 1 0 389.297 2.834 20 0 GFADRO O[C@@H](C[NH2+]C[C@H]1CCN(c2cccc(Br)c2)C1)c1ccccn1 ZINC000853100184 661882561 /nfs/dbraw/zinc/88/25/61/661882561.db2.gz ZIWUSQZTQOEUNY-KDOFPFPSSA-N 1 0 376.298 2.994 20 0 GFADRO CC(C)(C)OC(=O)NC[C@@](C)(O)C[NH2+]C[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC000853117105 661882863 /nfs/dbraw/zinc/88/28/63/661882863.db2.gz PCINQELSMFUMBK-PBHICJAKSA-N 1 0 393.311 2.892 20 0 GFADRO O[C@@H](C[NH2+]C[C@H](O)COc1ccccc1Cl)c1cc(F)c(F)c(F)c1 ZINC000853131212 661883160 /nfs/dbraw/zinc/88/31/60/661883160.db2.gz CBZNGLLGICGXOI-NHYWBVRUSA-N 1 0 375.774 2.820 20 0 GFADRO C[NH+](C)CCCCCCCNC(=O)N1CCn2ncc(Br)c2C1 ZINC000853487200 661890151 /nfs/dbraw/zinc/89/01/51/661890151.db2.gz JFJCAPZQVBNDOW-UHFFFAOYSA-N 1 0 386.338 2.683 20 0 GFADRO C[N@H+](C[C@H]1CC1(C)C)CN1C(=O)C(=O)N(c2ccc(Br)cc2)C1=O ZINC000853627507 661895594 /nfs/dbraw/zinc/89/55/94/661895594.db2.gz XBBGSLQSXULWKL-LLVKDONJSA-N 1 0 394.269 2.680 20 0 GFADRO O=C(NCC1CC[NH+](C2CCOCC2)CC1)c1nc(Br)cs1 ZINC000853815211 661902388 /nfs/dbraw/zinc/90/23/88/661902388.db2.gz MUIHXXQQWQEJBP-UHFFFAOYSA-N 1 0 388.331 2.526 20 0 GFADRO O=C(NCC1CC[NH+](Cc2ccncc2)CC1)c1nc(Br)cs1 ZINC000853831765 661903416 /nfs/dbraw/zinc/90/34/16/661903416.db2.gz NUSMQKITLVLYMJ-UHFFFAOYSA-N 1 0 395.326 2.943 20 0 GFADRO CC[C@H](C[NH+]1CCCC1)NC(=O)N1CC(O)(c2ccc(Br)cc2)C1 ZINC000853854475 661904084 /nfs/dbraw/zinc/90/40/84/661904084.db2.gz TXQZWEGXIVEDLC-MRXNPFEDSA-N 1 0 396.329 2.536 20 0 GFADRO C[NH+]1CCC2(CCN(C(=O)[C@]3(C)CC3(Br)Br)C2)CC1 ZINC000854500863 661937340 /nfs/dbraw/zinc/93/73/40/661937340.db2.gz VKAJBJJISCNQHC-LBPRGKRZSA-N 1 0 394.151 2.827 20 0 GFADRO CC(C)C[C@H](NC(=O)C[C@]1(C)CC1(Cl)Cl)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000854633856 661944692 /nfs/dbraw/zinc/94/46/92/661944692.db2.gz YOZFPZWHEZPAJJ-GRDNDAEWSA-N 1 0 392.371 2.654 20 0 GFADRO C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)c1cnn(-c2ccccc2)c1Br ZINC000854654529 661945861 /nfs/dbraw/zinc/94/58/61/661945861.db2.gz LKQLPNKNCYIXTM-SWLSCSKDSA-N 1 0 377.286 2.799 20 0 GFADRO C[C@](CO)(NC(=O)C1CC[NH+](C2CC2)CC1)c1ccc(Br)cc1 ZINC000855106406 661970387 /nfs/dbraw/zinc/97/03/87/661970387.db2.gz NLRFTXZJSYFZPQ-GOSISDBHSA-N 1 0 381.314 2.647 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)c2csc(I)n2)C1 ZINC000855163066 661974019 /nfs/dbraw/zinc/97/40/19/661974019.db2.gz RYDAHCUHOORMGZ-SECBINFHSA-N 1 0 393.294 2.598 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)c2c(Br)nc3n2CCCC3)C1 ZINC000855162415 661974322 /nfs/dbraw/zinc/97/43/22/661974322.db2.gz JEWVFWMHWHNJJZ-GFCCVEGCSA-N 1 0 383.334 2.832 20 0 GFADRO CCN(C(=O)c1nc(Br)ccc1Br)[C@@H]1CC[N@H+](C)C1 ZINC000855361217 661987986 /nfs/dbraw/zinc/98/79/86/661987986.db2.gz TWDKOWIAMUZDNJ-SECBINFHSA-N 1 0 391.107 2.773 20 0 GFADRO CCN(C(=O)c1cc(=O)c2cc(Br)ccc2o1)[C@@H]1CC[N@H+](C)C1 ZINC000855363706 661988347 /nfs/dbraw/zinc/98/83/47/661988347.db2.gz VOQMXNLSBIPBDN-GFCCVEGCSA-N 1 0 379.254 2.722 20 0 GFADRO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)c1csc(I)n1 ZINC000855899203 662011957 /nfs/dbraw/zinc/01/19/57/662011957.db2.gz HZUDKGIMIMQDBL-JTQLQIEISA-N 1 0 393.294 2.598 20 0 GFADRO CCC[N@@H+]1CC[C@@H](NC(=O)c2cnn(-c3ccccc3)c2Br)C1 ZINC000856073017 662018349 /nfs/dbraw/zinc/01/83/49/662018349.db2.gz HSLPWGCGUXDADR-CYBMUJFWSA-N 1 0 377.286 2.849 20 0 GFADRO CCC[N@H+](C)CC(C)(C)NC(=O)C[C@](O)(c1nc(C)cs1)C(F)(F)F ZINC000856283173 662027670 /nfs/dbraw/zinc/02/76/70/662027670.db2.gz PHSLWMJEYFMMCK-HNNXBMFYSA-N 1 0 381.464 2.828 20 0 GFADRO C[NH+](C)C[C@H]1COC2(CCCC2)CN1C(=O)c1ccc(Br)nc1 ZINC000856409932 662032238 /nfs/dbraw/zinc/03/22/38/662032238.db2.gz DMTLMKHXUVBXDC-AWEZNQCLSA-N 1 0 382.302 2.560 20 0 GFADRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)NCC[C@@H]2CC2(Cl)Cl)CC1 ZINC000856947988 662053643 /nfs/dbraw/zinc/05/36/43/662053643.db2.gz FDNALPPBBFDORM-BZUAXINKSA-N 1 0 391.387 2.770 20 0 GFADRO O=C(OC[C@H]1CC[N@@H+]1Cc1ccccc1)c1cc(Br)c[nH]c1=O ZINC000857037860 662060187 /nfs/dbraw/zinc/06/01/87/662060187.db2.gz YPNLGGUDTPJQLY-CQSZACIVSA-N 1 0 377.238 2.981 20 0 GFADRO C[C@H]([NH3+])CCNC(=O)N1CCN([C@@H](C)c2ccc(Br)cc2)CC1 ZINC000857112289 662063723 /nfs/dbraw/zinc/06/37/23/662063723.db2.gz KJFXOYPEYQDXCJ-KBPBESRZSA-N 1 0 383.334 2.575 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)c2cccnc2I)C1 ZINC000857302900 662072595 /nfs/dbraw/zinc/07/25/95/662072595.db2.gz FAOCTCYQARNRCC-LLVKDONJSA-N 1 0 387.265 2.536 20 0 GFADRO Cc1cc(CNCCC[N@@H+]2CCC[C@H](C(N)=O)C2)c(Br)cc1F ZINC000858126609 662099945 /nfs/dbraw/zinc/09/99/45/662099945.db2.gz CRQYMXDKQCCFLD-ZDUSSCGKSA-N 1 0 386.309 2.574 20 0 GFADRO Cn1cc(C[NH2+]CCOc2ncccc2C(F)(F)F)c(Br)n1 ZINC000858153031 662101635 /nfs/dbraw/zinc/10/16/35/662101635.db2.gz GEMZXHPYQVVJCW-UHFFFAOYSA-N 1 0 379.180 2.765 20 0 GFADRO Cn1cc(C[NH2+][C@@H]2CCN(C)[C@H]2c2ccc(F)c(F)c2)c(Br)n1 ZINC000858154562 662101971 /nfs/dbraw/zinc/10/19/71/662101971.db2.gz LOOYQNRFBHQALZ-CABCVRRESA-N 1 0 385.256 2.996 20 0 GFADRO COc1ccc(CN2CC[C@H]2C[NH2+]Cc2cn(C)nc2Br)cc1 ZINC000858237140 662105609 /nfs/dbraw/zinc/10/56/09/662105609.db2.gz GUXUNYBMBDRGEX-HNNXBMFYSA-N 1 0 379.302 2.555 20 0 GFADRO O[C@@H]1CC[N@H+](CCNCc2c(F)ccc(C(F)(F)F)c2Br)C1 ZINC000858298113 662107313 /nfs/dbraw/zinc/10/73/13/662107313.db2.gz MWNPUPDJBPZRQW-SECBINFHSA-N 1 0 385.199 2.763 20 0 GFADRO COC(=O)C1CC[NH+](CCCNC(=O)/C=C\c2ccc(SC)s2)CC1 ZINC000858497105 662113473 /nfs/dbraw/zinc/11/34/73/662113473.db2.gz CMJDZZAHEIYXFK-XQRVVYSFSA-N 1 0 382.551 2.875 20 0 GFADRO C[C@H]([NH2+]C[C@H]1CN(Cc2ccncc2)CCO1)c1ccc(Br)nc1 ZINC000858564084 662114872 /nfs/dbraw/zinc/11/48/72/662114872.db2.gz DVDKNPZQPZJCNU-YOEHRIQHSA-N 1 0 391.313 2.791 20 0 GFADRO COC(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)cc1Cl ZINC000858614144 662116403 /nfs/dbraw/zinc/11/64/03/662116403.db2.gz DOAJWPDRBCITKR-TUAOUCFPSA-N 1 0 389.905 2.512 20 0 GFADRO O=C(NC[C@H](O)c1ccccc1Br)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000858872673 662125323 /nfs/dbraw/zinc/12/53/23/662125323.db2.gz ZXVYTBMKRGWSRQ-PBHICJAKSA-N 1 0 396.329 2.799 20 0 GFADRO CC(C)[NH+]1CCC(O)(CNC(=O)OCc2ccc(Br)cc2)CC1 ZINC000859064073 662134878 /nfs/dbraw/zinc/13/48/78/662134878.db2.gz FJGDYDMHYXZMTM-UHFFFAOYSA-N 1 0 385.302 2.911 20 0 GFADRO CSc1ccc(/C=C/C(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)s1 ZINC000859079566 662136128 /nfs/dbraw/zinc/13/61/28/662136128.db2.gz UIMXYMQVIUBVJZ-LOWQCSRCSA-N 1 0 381.567 2.542 20 0 GFADRO CN(CCCN1CC[NH+](C)CC1)C(=O)/C=C/c1csc(C(F)(F)F)c1 ZINC000859320577 662153295 /nfs/dbraw/zinc/15/32/95/662153295.db2.gz HJHPWTODQWMGOG-SNAWJCMRSA-N 1 0 375.460 2.876 20 0 GFADRO O=S(=O)(NC[C@H]1CC[N@@H+]1C1CCCC1)c1ccc2nc(Cl)cnc2c1 ZINC000859348533 662155348 /nfs/dbraw/zinc/15/53/48/662155348.db2.gz RFYCQTOGGPPEAP-CYBMUJFWSA-N 1 0 380.901 2.578 20 0 GFADRO CS[C@@H]1CN(C(=O)c2cc(Br)cnc2F)C[C@@H]1[NH+]1CCCC1 ZINC000860786325 662215673 /nfs/dbraw/zinc/21/56/73/662215673.db2.gz BMSHXVNQCQXCAN-QWHCGFSZSA-N 1 0 388.306 2.635 20 0 GFADRO O=C(OCC[NH+]1CCC1)C1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000861385470 662243440 /nfs/dbraw/zinc/24/34/40/662243440.db2.gz UDZJHEJUYKSKFZ-UHFFFAOYSA-N 1 0 395.297 2.550 20 0 GFADRO C[NH2+]CCOCCN(C)C(=O)N[C@H]1CCOc2c(Cl)c(Cl)ccc21 ZINC000861626318 662252259 /nfs/dbraw/zinc/25/22/59/662252259.db2.gz OBNWUUUPAXZJJZ-ZDUSSCGKSA-N 1 0 376.284 2.694 20 0 GFADRO CC[N@@H+]1CCCN(C(=O)C(=O)Nc2cccc(SC(F)(F)F)c2)CC1 ZINC000861813804 662259608 /nfs/dbraw/zinc/25/96/08/662259608.db2.gz UUPWOQICEAKREX-UHFFFAOYSA-N 1 0 375.416 2.791 20 0 GFADRO CC[C@@H](C(=O)N1CN(CC[NH+](C)C)C(=O)[C@H]1C)c1ccc(Br)cc1 ZINC000862100412 662269028 /nfs/dbraw/zinc/26/90/28/662269028.db2.gz GZABJVZZBJSZHC-CZUORRHYSA-N 1 0 396.329 2.521 20 0 GFADRO CC[C@@H](C(=O)NCCN(C)CCC[NH+](C)C)c1ccc(Br)cc1 ZINC000862172091 662271870 /nfs/dbraw/zinc/27/18/70/662271870.db2.gz PLGHRUXTJWBWIT-QGZVFWFLSA-N 1 0 384.362 2.942 20 0 GFADRO CCC[N@H+](C)CC(C)(C)NC(=O)c1cc(Br)c2ncc(C=O)n2c1 ZINC000862229598 662274947 /nfs/dbraw/zinc/27/49/47/662274947.db2.gz HFNDSGPIOPDCAB-UHFFFAOYSA-N 1 0 395.301 2.760 20 0 GFADRO CCOC(=O)c1cccc(C[NH2+]C[C@H](O)c2cccc(Br)c2)n1 ZINC000862357080 662282445 /nfs/dbraw/zinc/28/24/45/662282445.db2.gz SPYSSJNNZMDJFO-INIZCTEOSA-N 1 0 379.254 2.844 20 0 GFADRO COC(=O)C1=CC[C@H]([NH2+]Cc2cc(Br)c3c(c2)OCCCO3)C1 ZINC000862466485 662288807 /nfs/dbraw/zinc/28/88/07/662288807.db2.gz ZFIHPHCYYNAFHT-ZDUSSCGKSA-N 1 0 382.254 2.962 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)NN2Cc3ccc(Br)cc3C2=O)C1 ZINC000862646380 662296170 /nfs/dbraw/zinc/29/61/70/662296170.db2.gz NEDOKBZVTABHKQ-QGZVFWFLSA-N 1 0 398.276 2.649 20 0 GFADRO C[N@H+](Cn1cc(Br)c(-c2ccc(F)cc2)n1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000863322787 662320730 /nfs/dbraw/zinc/32/07/30/662320730.db2.gz PKKAMDBFMRWDBA-BJHJDKERSA-N 1 0 381.249 2.605 20 0 GFADRO C[C@H](c1cccc(Br)c1)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000863547826 662336237 /nfs/dbraw/zinc/33/62/37/662336237.db2.gz LIUFDNLZHAUDHD-JLZZUVOBSA-N 1 0 394.313 2.767 20 0 GFADRO COc1cnc(N2CCN(C)C(C)(C)CC2)c(I)c1 ZINC000864088660 662354395 /nfs/dbraw/zinc/35/43/95/662354395.db2.gz FMRILTQROAZNSP-UHFFFAOYSA-N 1 0 375.254 2.615 20 0 GFADRO CC[NH+](CC)CCNC(=O)c1cc(Br)ncc1Br ZINC000864386706 662369417 /nfs/dbraw/zinc/36/94/17/662369417.db2.gz IGYOSHGKBHIUAD-UHFFFAOYSA-N 1 0 379.096 2.678 20 0 GFADRO COCC[NH+]1CCC(NC(=O)[C@H]2[C@@H]3c4cc(Br)ccc4C[C@H]23)CC1 ZINC000865014740 662395098 /nfs/dbraw/zinc/39/50/98/662395098.db2.gz MAOCPRSCAOBZLC-RCCFBDPRSA-N 1 0 393.325 2.562 20 0 GFADRO C[NH+](C)CCn1ccc(NC(=O)[C@@H]2[C@@H]3Cc4ccc(Br)cc4[C@@H]32)n1 ZINC000865059276 662396889 /nfs/dbraw/zinc/39/68/89/662396889.db2.gz DODXXWDNALMBPP-HYVNUMGLSA-N 1 0 389.297 2.732 20 0 GFADRO CC[NH+]1CCC(N2C(=O)[C@H](c3ccc(Br)s3)N(C)C2=O)CC1 ZINC000865296895 662410314 /nfs/dbraw/zinc/41/03/14/662410314.db2.gz IJAIQXFXRUTSMM-ZDUSSCGKSA-N 1 0 386.315 2.930 20 0 GFADRO Brc1ncccc1C[NH2+]C[C@H]1CN(Cc2ccccc2)CCO1 ZINC000865404006 662419004 /nfs/dbraw/zinc/41/90/04/662419004.db2.gz ZEENBKRHETWXNN-KRWDZBQOSA-N 1 0 376.298 2.835 20 0 GFADRO CN1CCN([C@H](C[NH2+]Cc2cccnc2Br)c2cccs2)CC1 ZINC000865399775 662419027 /nfs/dbraw/zinc/41/90/27/662419027.db2.gz XEGDDLPWLCDJIA-OAHLLOKOSA-N 1 0 395.370 2.984 20 0 GFADRO Cn1ccnc1[C@@](O)(CC[NH2+]Cc1ccncc1Br)C(F)(F)F ZINC000865428011 662420807 /nfs/dbraw/zinc/42/08/07/662420807.db2.gz LXLVIDKJFSSZQU-ZDUSSCGKSA-N 1 0 393.207 2.507 20 0 GFADRO O=C(NCCC[NH2+]Cc1cn(C2CC2)cn1)c1cccc(Br)c1 ZINC000865439855 662421715 /nfs/dbraw/zinc/42/17/15/662421715.db2.gz GRYBEPQRKLKWQM-UHFFFAOYSA-N 1 0 377.286 2.890 20 0 GFADRO OC[C@@H]1CCN(Cc2ccccc2)C[C@H]1[NH2+]Cc1cccnc1Br ZINC000865470205 662423343 /nfs/dbraw/zinc/42/33/43/662423343.db2.gz GPUNNOWGLAGCSW-ZWKOTPCHSA-N 1 0 390.325 2.817 20 0 GFADRO Cc1ccc(C[NH2+]C[C@H]2CCC[C@]23NC(=O)N(C)C3=O)c(C)c1Br ZINC000865481865 662424383 /nfs/dbraw/zinc/42/43/83/662424383.db2.gz XABJBHUXVUMJPP-KDOFPFPSSA-N 1 0 394.313 2.876 20 0 GFADRO CN(C)[C@@]1(C[NH2+]C[C@H](CC(F)(F)F)NC(=O)OC(C)(C)C)CCSC1 ZINC000865483467 662424555 /nfs/dbraw/zinc/42/45/55/662424555.db2.gz RZIMMKCRHBBODD-SWLSCSKDSA-N 1 0 385.496 2.859 20 0 GFADRO CC(C)CS(=O)(=O)N1CCC([NH2+]Cc2c(Cl)cncc2Cl)CC1 ZINC000865522384 662426462 /nfs/dbraw/zinc/42/64/62/662426462.db2.gz POLGQTMEXQOBDD-UHFFFAOYSA-N 1 0 380.341 2.928 20 0 GFADRO Cc1cc(N2CCC[C@@H]([NH2+]Cc3nccc(C)c3Br)C2)n(C)n1 ZINC000865544672 662428026 /nfs/dbraw/zinc/42/80/26/662428026.db2.gz ALUIISRLPYVQMJ-CQSZACIVSA-N 1 0 378.318 2.953 20 0 GFADRO NC(=O)COc1ccc(C[NH2+][C@@H]2[C@@H]3Cc4c(cccc4Br)[C@@H]32)cc1 ZINC000865657076 662434427 /nfs/dbraw/zinc/43/44/27/662434427.db2.gz GDMISPGUQWEXCQ-AYOQOUSVSA-N 1 0 387.277 2.741 20 0 GFADRO NC(=O)COc1ccc(C[NH2+][C@@H]2[C@H]3Cc4c(cccc4Br)[C@@H]23)cc1 ZINC000865657078 662434505 /nfs/dbraw/zinc/43/45/05/662434505.db2.gz GDMISPGUQWEXCQ-KFKAGJAMSA-N 1 0 387.277 2.741 20 0 GFADRO O=S(=O)(N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccnc(Cl)c1Cl)C1CC1 ZINC000865742234 662440447 /nfs/dbraw/zinc/44/04/47/662440447.db2.gz PCZUAVQTKOILLY-CHWSQXEVSA-N 1 0 378.325 2.871 20 0 GFADRO C[NH+](C)CCC1CCN(C(=O)c2cc(Br)cn3ccnc23)CC1 ZINC000865809461 662444689 /nfs/dbraw/zinc/44/46/89/662444689.db2.gz TVTCMJVFZONUBW-UHFFFAOYSA-N 1 0 379.302 2.901 20 0 GFADRO CCCOc1c(Cl)cc(C[NH2+]CC(C)(C)CS(N)(=O)=O)cc1OC ZINC000865814402 662445008 /nfs/dbraw/zinc/44/50/08/662445008.db2.gz FFTWLSIERAENAK-UHFFFAOYSA-N 1 0 378.922 2.542 20 0 GFADRO CNS(=O)(=O)c1ccc(CC[NH2+]Cc2ccc(Br)s2)cc1 ZINC000865819451 662445616 /nfs/dbraw/zinc/44/56/16/662445616.db2.gz VJVBUCQYSQCDSR-UHFFFAOYSA-N 1 0 389.340 2.751 20 0 GFADRO Brc1ccc2c(c1)[C@@H]1[C@H](C2)[C@@H]1[NH2+]Cc1cn(Cc2cccnc2)nn1 ZINC000865835372 662446451 /nfs/dbraw/zinc/44/64/51/662446451.db2.gz XPOQHJQOJDPKDL-OTWHNJEPSA-N 1 0 396.292 2.912 20 0 GFADRO C[C@@H]1CC[N@H+](CCNC(=O)c2cc(Br)ncc2Br)C1 ZINC000866270518 662466505 /nfs/dbraw/zinc/46/65/05/662466505.db2.gz PUOFYBXWGUKTEK-SECBINFHSA-N 1 0 391.107 2.678 20 0 GFADRO CC(C)(C)[NH+]1CCC(NS(=O)(=O)c2cc3nc(Cl)ncc3s2)CC1 ZINC000866555358 662480100 /nfs/dbraw/zinc/48/01/00/662480100.db2.gz WUSHFYIRXSBXOC-UHFFFAOYSA-N 1 0 388.946 2.886 20 0 GFADRO CC(C)(C[NH2+][C@@H](c1ccc(Br)s1)C1CC1)CS(N)(=O)=O ZINC000866573528 662480949 /nfs/dbraw/zinc/48/09/49/662480949.db2.gz XDTROWMATORWAQ-GFCCVEGCSA-N 1 0 381.361 2.866 20 0 GFADRO Cc1ccc(Br)c(CS(=O)(=O)N[C@@H](C)[C@@H]2CCC[NH2+]C2)c1 ZINC000866739216 662493301 /nfs/dbraw/zinc/49/33/01/662493301.db2.gz ZLDCZZKELBXKDD-QWHCGFSZSA-N 1 0 375.332 2.565 20 0 GFADRO [NH3+]CC[C@H]1CCCN(S(=O)(=O)c2oc3ccccc3c2Br)C1 ZINC000866762101 662495492 /nfs/dbraw/zinc/49/54/92/662495492.db2.gz INVJJDWWZJLUGA-LLVKDONJSA-N 1 0 387.299 2.945 20 0 GFADRO O=S(=O)(c1oc2ccccc2c1Br)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000866765294 662495791 /nfs/dbraw/zinc/49/57/91/662495791.db2.gz TZTHDLBJRLSTOQ-INIZCTEOSA-N 1 0 399.310 2.960 20 0 GFADRO CC(C)(C)[C@@]1(C[NH3+])CCN(S(=O)(=O)c2ccccc2Br)C1 ZINC000866817991 662501522 /nfs/dbraw/zinc/50/15/22/662501522.db2.gz YMYFKZXXUUWUPA-OAHLLOKOSA-N 1 0 375.332 2.835 20 0 GFADRO CC(C)(C)[C@]1(C[NH3+])CCN(S(=O)(=O)c2sccc2Br)C1 ZINC000866816496 662501572 /nfs/dbraw/zinc/50/15/72/662501572.db2.gz YKDPDTKZALWCDW-ZDUSSCGKSA-N 1 0 381.361 2.896 20 0 GFADRO O=S(=O)(c1ccc(Br)c(Cl)c1)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000866827414 662502379 /nfs/dbraw/zinc/50/23/79/662502379.db2.gz MLUHLDSXDJWFOD-CHWSQXEVSA-N 1 0 379.707 2.618 20 0 GFADRO CS[C@H]1CN(S(=O)(=O)c2cc(Cl)cnc2Cl)C[C@H]1[NH+]1CCCC1 ZINC000867125427 662525351 /nfs/dbraw/zinc/52/53/51/662525351.db2.gz VGXXRPGQBYLRLK-NEPJUHHUSA-N 1 0 396.365 2.589 20 0 GFADRO Cc1ccc(Br)c(CS(=O)(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000867358133 662544828 /nfs/dbraw/zinc/54/48/28/662544828.db2.gz TYOHJHFOJXRJBS-GOOCMWNKSA-N 1 0 387.343 2.802 20 0 GFADRO CCCCN(c1ccncc1)S(=O)(=O)c1ccc(CS(C)(=O)=O)cc1 ZINC000867628174 662563937 /nfs/dbraw/zinc/56/39/37/662563937.db2.gz RKFYHYDUSQVAIZ-UHFFFAOYSA-N 1 0 382.507 2.622 20 0 GFADRO C[N@@H+]1CC[C@H]2CN(S(=O)(=O)c3ccc(Cl)cc3Br)CC[C@@H]21 ZINC000867806944 662577944 /nfs/dbraw/zinc/57/79/44/662577944.db2.gz IEBSZHSZCVHYEW-GWCFXTLKSA-N 1 0 393.734 2.817 20 0 GFADRO CSc1cc(C(=O)N2CCC[C@@](O)(C[NH+](C)C)C2)ccc1Br ZINC000867847768 662581868 /nfs/dbraw/zinc/58/18/68/662581868.db2.gz HGAXZDWYTIIXKP-MRXNPFEDSA-N 1 0 387.343 2.700 20 0 GFADRO CCOC(=O)Cc1csc(NC(=O)[C@H]([NH3+])c2cccc(Br)c2)n1 ZINC000867943529 662588501 /nfs/dbraw/zinc/58/85/01/662588501.db2.gz YDULYQVOIXQBCR-CYBMUJFWSA-N 1 0 398.282 2.650 20 0 GFADRO [NH3+][C@H](C(=O)NCc1cnn(CC(F)(F)F)c1)c1cccc(Br)c1 ZINC000867956909 662589202 /nfs/dbraw/zinc/58/92/02/662589202.db2.gz VXGQXTZICRYDAK-LBPRGKRZSA-N 1 0 391.191 2.524 20 0 GFADRO C[C@@H](NC(=O)c1cc(F)ccc1I)C1CC[NH2+]CC1 ZINC000868002121 662591092 /nfs/dbraw/zinc/59/10/92/662591092.db2.gz KWIAXGNBBSLVQL-SECBINFHSA-N 1 0 376.213 2.548 20 0 GFADRO C[NH+]1CCC2(CCCN(C(=O)COc3ccc(Br)cn3)C2)CC1 ZINC000868018053 662591704 /nfs/dbraw/zinc/59/17/04/662591704.db2.gz RUFKXCZYDQEEJP-UHFFFAOYSA-N 1 0 382.302 2.557 20 0 GFADRO COC[C@@]1(C(=O)Nc2ccc(Br)c(Br)c2)CC[NH2+]C1 ZINC000868029018 662591883 /nfs/dbraw/zinc/59/18/83/662591883.db2.gz DNQMHVIMZZZNIH-CYBMUJFWSA-N 1 0 392.091 2.776 20 0 GFADRO [NH3+][C@H](C(=O)Nc1nnc([C@@H]2CCCO2)s1)c1cccc(Br)c1 ZINC000868050162 662592555 /nfs/dbraw/zinc/59/25/55/662592555.db2.gz FSFWLQCGACBNED-QWRGUYRKSA-N 1 0 383.271 2.791 20 0 GFADRO COc1cc(Br)c(NC(=O)N2C3CCC2(C[NH3+])CC3)cc1OC ZINC000868111193 662594818 /nfs/dbraw/zinc/59/48/18/662594818.db2.gz DGOCKLZIERYHRH-UHFFFAOYSA-N 1 0 384.274 2.954 20 0 GFADRO O=C(Nc1ccc(Br)c(Br)c1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000868204963 662598600 /nfs/dbraw/zinc/59/86/00/662598600.db2.gz UDYOXUOQOGLWNP-DTORHVGOSA-N 1 0 389.091 2.895 20 0 GFADRO COC[C@H](NC(=O)N[C@@H]1CC[N@@H+](C2CC2)C1)c1cccc(Br)c1 ZINC000868364663 662603222 /nfs/dbraw/zinc/60/32/22/662603222.db2.gz ATFGGNDGYSQANZ-ZBFHGGJFSA-N 1 0 382.302 2.673 20 0 GFADRO CC(C)[NH+]1CCN(CCCOC(=O)c2c(F)cncc2Br)CC1 ZINC000869722655 662658982 /nfs/dbraw/zinc/65/89/82/662658982.db2.gz RRKLJCTZCJBKOO-UHFFFAOYSA-N 1 0 388.281 2.556 20 0 GFADRO C[NH+](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)OCc1nc(Cl)ccc1Cl ZINC000869832434 662663615 /nfs/dbraw/zinc/66/36/15/662663615.db2.gz QGFYQCCORYFEMH-NSHDSACASA-N 1 0 392.283 2.887 20 0 GFADRO CC(=O)N[C@H](C(=O)O[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1cccc(Br)c1 ZINC000870343495 662685743 /nfs/dbraw/zinc/68/57/43/662685743.db2.gz LSURZQAWAFHCHC-ULQDDVLXSA-N 1 0 395.297 2.796 20 0 GFADRO [NH3+][C@H]1CC[C@H](C(=O)N2CCN(C(=O)c3c(Cl)cccc3Cl)CC2)CC1 ZINC000870871312 662704164 /nfs/dbraw/zinc/70/41/64/662704164.db2.gz QNSUITLBLOZXIH-JOCQHMNTSA-N 1 0 384.307 2.795 20 0 GFADRO [NH3+][C@H](C(=O)N1CC[C@@H](OCc2ccccn2)C1)c1cccc(Br)c1 ZINC000870905868 662707579 /nfs/dbraw/zinc/70/75/79/662707579.db2.gz FSFBCUAADUMKNU-SJORKVTESA-N 1 0 390.281 2.662 20 0 GFADRO O=C(NCCN1CC[NH2+]CC1)c1cnc(-c2c(Cl)cccc2Cl)s1 ZINC000870932701 662708938 /nfs/dbraw/zinc/70/89/38/662708938.db2.gz JULYKECUVZRSHO-UHFFFAOYSA-N 1 0 385.320 2.752 20 0 GFADRO COc1cc(I)ccc1C(=O)N[C@@H](C)CCCC[NH3+] ZINC000870947756 662710918 /nfs/dbraw/zinc/71/09/18/662710918.db2.gz SKMWVYYQNXDXJA-JTQLQIEISA-N 1 0 376.238 2.547 20 0 GFADRO Cc1cc2c(CC(=O)N3CCC[C@@H](n4cc(C[NH3+])nn4)C3)csc2s1 ZINC000870946838 662710791 /nfs/dbraw/zinc/71/07/91/662710791.db2.gz UKQNXNRPDFEHNS-CQSZACIVSA-N 1 0 375.523 2.728 20 0 GFADRO CCc1c(C(=O)NC[C@H]2C[C@H]([NH3+])C2)cnn1-c1ccc(Br)cc1 ZINC000870969891 662711673 /nfs/dbraw/zinc/71/16/73/662711673.db2.gz UOUYYWMRJWZLAS-AULYBMBSSA-N 1 0 377.286 2.664 20 0 GFADRO C[C@@H](NC(=O)c1[nH]nc(-c2ccccc2)c1Br)C1CC[NH2+]CC1 ZINC000870984540 662712202 /nfs/dbraw/zinc/71/22/02/662712202.db2.gz YJTWSUXKTKSOOS-LLVKDONJSA-N 1 0 377.286 2.957 20 0 GFADRO CCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000871063881 662714641 /nfs/dbraw/zinc/71/46/41/662714641.db2.gz KOUOFCNAGNXUGB-FZMZJTMJSA-N 1 0 379.306 2.586 20 0 GFADRO CSc1ccc(S(=O)(=O)N2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1Cl ZINC000871815040 662735613 /nfs/dbraw/zinc/73/56/13/662735613.db2.gz ZDXVXOCVZPHPGL-WPRPVWTQSA-N 1 0 388.864 2.820 20 0 GFADRO CC(C)(O)C[C@@H](O)C[NH+]1CCC(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000871976137 662748288 /nfs/dbraw/zinc/74/82/88/662748288.db2.gz DCLFYXHXSPYWRT-MRXNPFEDSA-N 1 0 399.329 2.622 20 0 GFADRO C[C@H]([NH2+]CC1CCN(S(=O)(=O)C(F)(F)F)CC1)c1cc(O)ccc1F ZINC000872034360 662754360 /nfs/dbraw/zinc/75/43/60/662754360.db2.gz HJOAUSUUQRDWTH-JTQLQIEISA-N 1 0 384.395 2.744 20 0 GFADRO Brc1cccc([C@H]([NH2+]CC2(N3CCOCC3)CC2)[C@@H]2CCOC2)c1 ZINC000872065508 662755001 /nfs/dbraw/zinc/75/50/01/662755001.db2.gz CLQQWORKLQFRMU-AEFFLSMTSA-N 1 0 395.341 2.981 20 0 GFADRO CCS(=O)(=O)CCC[NH2+][C@@H](c1cccc(Br)c1)[C@H]1CCOC1 ZINC000872080847 662755403 /nfs/dbraw/zinc/75/54/03/662755403.db2.gz SWFARQKJQZWJRO-HOCLYGCPSA-N 1 0 390.343 2.941 20 0 GFADRO CS(=O)(=O)CCCC[NH2+][C@@H](c1cccc(Br)c1)[C@@H]1CCOC1 ZINC000872079867 662755407 /nfs/dbraw/zinc/75/54/07/662755407.db2.gz LTHWREXTPXRSNH-ZBFHGGJFSA-N 1 0 390.343 2.941 20 0 GFADRO O=S(=O)(CC[NH2+][C@@H](c1cccc(Br)c1)[C@H]1CCOC1)C1CC1 ZINC000872081563 662755439 /nfs/dbraw/zinc/75/54/39/662755439.db2.gz ZPWQRYSUHADHBI-BBRMVZONSA-N 1 0 388.327 2.694 20 0 GFADRO Brc1cccc([C@@H]([NH2+]CCN2C[C@H]3CC[C@@H](C2)O3)[C@@H]2CCOC2)c1 ZINC000872076920 662755451 /nfs/dbraw/zinc/75/54/51/662755451.db2.gz VLOYDIGKVQKUHZ-OQIJWPOYSA-N 1 0 395.341 2.980 20 0 GFADRO [NH3+]C[C@@H]1CN(Cc2cc3c(cc2Br)OCCO3)C[C@@H]1C(F)(F)F ZINC000872148100 662756602 /nfs/dbraw/zinc/75/66/02/662756602.db2.gz NIXKKBLXMMHZLQ-MNOVXSKESA-N 1 0 395.219 2.789 20 0 GFADRO C[C@H](C(=O)Nc1ccccc1Br)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000872152147 662757024 /nfs/dbraw/zinc/75/70/24/662757024.db2.gz ZOZHRXFIPNPUNQ-OUAUKWLOSA-N 1 0 394.235 2.845 20 0 GFADRO Cc1cnn([C@@H]2CCC[NH2+]C2)c1-c1nc(-c2cncc(Br)c2)no1 ZINC000872173375 662757379 /nfs/dbraw/zinc/75/73/79/662757379.db2.gz OVLSEIXCEWMCQY-CYBMUJFWSA-N 1 0 389.257 2.991 20 0 GFADRO COc1cc(I)ccc1-c1nc(C2CC[NH2+]CC2)no1 ZINC000872172188 662757408 /nfs/dbraw/zinc/75/74/08/662757408.db2.gz ZSESBDCVIYSLFC-UHFFFAOYSA-N 1 0 385.205 2.817 20 0 GFADRO CC(C)(O)C[C@H](O)C[NH2+][C@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O ZINC000872207346 662757833 /nfs/dbraw/zinc/75/78/33/662757833.db2.gz NOGNCOMFEPEVPX-JSGCOSHPSA-N 1 0 375.296 2.600 20 0 GFADRO O[C@@H](C[NH2+]C[C@H](n1cncn1)C(F)(F)F)c1ccc(F)c(Br)c1 ZINC000872220233 662758228 /nfs/dbraw/zinc/75/82/28/662758228.db2.gz LRSBPACYYOKNTM-RYUDHWBXSA-N 1 0 397.170 2.606 20 0 GFADRO O[C@@H](C[NH2+]C[C@H]1CC2(CO1)CCOCC2)COc1cc(Cl)cc(Cl)c1 ZINC000872228619 662758306 /nfs/dbraw/zinc/75/83/06/662758306.db2.gz HSTDVFXGGCQALL-DOTOQJQBSA-N 1 0 390.307 2.908 20 0 GFADRO CCOc1ccc(OC[C@@H](O)C[NH2+]Cc2ccc(Br)cn2)cc1 ZINC000872234629 662758811 /nfs/dbraw/zinc/75/88/11/662758811.db2.gz VRMGTQYMFPXYRR-HNNXBMFYSA-N 1 0 381.270 2.772 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000872259506 662759315 /nfs/dbraw/zinc/75/93/15/662759315.db2.gz VOSFWIPDFMROOS-KGLIPLIRSA-N 1 0 382.302 2.720 20 0 GFADRO CN(CC1=CCSC1)CN1C(=O)C[C@]2(CCc3cc(Cl)ccc32)C1=O ZINC000872623828 662781049 /nfs/dbraw/zinc/78/10/49/662781049.db2.gz XNMPUKUDBYPUKP-IBGZPJMESA-N 1 0 376.909 2.845 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)C[C@@H]1C(F)(F)F ZINC000873103835 662799817 /nfs/dbraw/zinc/79/98/17/662799817.db2.gz HUQHYDZEDRXRKV-CPCISQLKSA-N 1 0 384.185 2.528 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)C(=O)N(C)CCCCCC[NH3+] ZINC000873110358 662800134 /nfs/dbraw/zinc/80/01/34/662800134.db2.gz PWINTJFDIKKZKL-UHFFFAOYSA-N 1 0 384.318 2.928 20 0 GFADRO COC[C@H]([NH2+][C@H]1CCCS(=O)(=O)CC1)c1cccc(Br)c1 ZINC000873152561 662801831 /nfs/dbraw/zinc/80/18/31/662801831.db2.gz UFNUSIYREFPXGQ-GJZGRUSLSA-N 1 0 376.316 2.694 20 0 GFADRO [NH3+]C[C@@H]1CN(Cc2ccccc2I)C[C@H]1C(F)(F)F ZINC000873226899 662804120 /nfs/dbraw/zinc/80/41/20/662804120.db2.gz DMOJUFCPNFTFIX-GHMZBOCLSA-N 1 0 384.183 2.860 20 0 GFADRO Cn1cc(NC(=O)N[C@@H]2CCCCC23CC[NH2+]CC3)cc(Br)c1=O ZINC000873312678 662805263 /nfs/dbraw/zinc/80/52/63/662805263.db2.gz RPRKSOFEOBCIGH-CQSZACIVSA-N 1 0 397.317 2.582 20 0 GFADRO CCOC(=O)c1c(C)csc1NC(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000873314990 662805268 /nfs/dbraw/zinc/80/52/68/662805268.db2.gz ZIXNZBCDVWPZOA-NXEZZACHSA-N 1 0 379.404 2.834 20 0 GFADRO Cc1cnc(Br)cc1NC(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000873319591 662805420 /nfs/dbraw/zinc/80/54/20/662805420.db2.gz LMUMNZKNGLXBNO-BDAKNGLRSA-N 1 0 381.196 2.753 20 0 GFADRO Cc1cc(Br)nc(NC(=O)N2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1 ZINC000873330520 662805671 /nfs/dbraw/zinc/80/56/71/662805671.db2.gz XFMJOFGZZOGBKA-IUCAKERBSA-N 1 0 381.196 2.753 20 0 GFADRO COc1cc(NC(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)cc(OC)c1Cl ZINC000873329660 662805673 /nfs/dbraw/zinc/80/56/73/662805673.db2.gz AVTDORDPUYKAPF-PSASIEDQSA-N 1 0 381.782 2.958 20 0 GFADRO O=C(NCc1ccc(CN2CCOCC2)cc1)c1csc(Br)n1 ZINC000873842172 662815863 /nfs/dbraw/zinc/81/58/63/662815863.db2.gz ASFRYZYMTQMDCG-UHFFFAOYSA-N 1 0 396.310 2.668 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)c1cc(N)nc(Br)c1)c1cccc(F)c1 ZINC000873844618 662815951 /nfs/dbraw/zinc/81/59/51/662815951.db2.gz SZMZLWUUTZZTRK-CYBMUJFWSA-N 1 0 381.249 2.598 20 0 GFADRO CCn1ncc(C(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)c1Br ZINC000873843499 662815993 /nfs/dbraw/zinc/81/59/93/662815993.db2.gz MYYWUKATFRYGSI-AWEZNQCLSA-N 1 0 383.265 2.837 20 0 GFADRO CC[NH+](CC)Cc1ccc(NC(=O)C(=O)NCc2ncc(Cl)s2)cc1 ZINC000874312016 662828572 /nfs/dbraw/zinc/82/85/72/662828572.db2.gz DUMBIUPVUMYRTO-UHFFFAOYSA-N 1 0 380.901 2.893 20 0 GFADRO COc1c(Cl)cc(NC(=O)C(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3C)cc1Cl ZINC000874364622 662830283 /nfs/dbraw/zinc/83/02/83/662830283.db2.gz MRCZJNAMIJFQTE-UONOGXRCSA-N 1 0 386.279 2.636 20 0 GFADRO O=C(NCC1([NH+]2CCCCC2)CCOCC1)c1csc(Br)n1 ZINC000874455620 662831577 /nfs/dbraw/zinc/83/15/77/662831577.db2.gz ACKSWLKYDRCEOY-UHFFFAOYSA-N 1 0 388.331 2.671 20 0 GFADRO C[N@@H+]1CCC[C@H]2[C@H]1CCN2C(=O)[C@@H]1CCO[C@H]1c1cncc(Br)c1 ZINC000874822535 662837330 /nfs/dbraw/zinc/83/73/30/662837330.db2.gz BNVRKFJUERRTCU-NCOADZHNSA-N 1 0 394.313 2.617 20 0 GFADRO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)c1cnc2ncc(Br)cc2c1 ZINC000874829064 662837673 /nfs/dbraw/zinc/83/76/73/662837673.db2.gz JODFCIXHRMJCMO-HUUCEWRRSA-N 1 0 375.270 2.701 20 0 GFADRO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)c1ccc(-n2cc(Br)cn2)cc1 ZINC000874845902 662838336 /nfs/dbraw/zinc/83/83/36/662838336.db2.gz YPHLDDKPXWUOLG-DLBZAZTESA-N 1 0 389.297 2.944 20 0 GFADRO COCCN(CC1CC[NH+](C)CC1)C(=O)NCc1cccc(Br)c1 ZINC000875176818 662842896 /nfs/dbraw/zinc/84/28/96/662842896.db2.gz WDPHJGQONSUNGU-UHFFFAOYSA-N 1 0 398.345 2.949 20 0 GFADRO COC[C@H](NC(=O)NCC1CC[NH+](C)CC1)c1cccc(Br)c1 ZINC000875238603 662843740 /nfs/dbraw/zinc/84/37/40/662843740.db2.gz PTTQJBFJKINDKJ-INIZCTEOSA-N 1 0 384.318 2.778 20 0 GFADRO O=C(N[C@H]1CC[N@@H+](C2CC2)C1)N1CC[C@@H](O)[C@H]1c1ccc(Br)cc1 ZINC000875296089 662844334 /nfs/dbraw/zinc/84/43/34/662844334.db2.gz SINQMQINYASYMJ-USXIJHARSA-N 1 0 394.313 2.503 20 0 GFADRO CN(CC[NH+]1CC2(C1)CCOCC2)C(=O)NCCC[C@H]1CC1(Cl)Cl ZINC000875701516 662850464 /nfs/dbraw/zinc/85/04/64/662850464.db2.gz IOIGMIXUYMQZRL-AWEZNQCLSA-N 1 0 378.344 2.714 20 0 GFADRO CS(=O)(=O)CCSc1cc(Br)ccc1C[NH2+]C1CSC1 ZINC000877634413 662880456 /nfs/dbraw/zinc/88/04/56/662880456.db2.gz JOJJJLSZGPTUNK-UHFFFAOYSA-N 1 0 396.397 2.791 20 0 GFADRO COC[C@@H](NC(=O)N1CC[C@H]([NH+]2CC=CC2)C1)c1cccc(Br)c1 ZINC000876232925 662857624 /nfs/dbraw/zinc/85/76/24/662857624.db2.gz UFNGBMYMBCDDFF-DLBZAZTESA-N 1 0 394.313 2.792 20 0 GFADRO C[NH+]1CCC2(CCN(C(=O)NCc3ncc(Br)s3)CC2)CC1 ZINC000876282963 662858693 /nfs/dbraw/zinc/85/86/93/662858693.db2.gz BNRBTOFQWASCTA-UHFFFAOYSA-N 1 0 387.347 2.923 20 0 GFADRO C[NH+]1CCC2(CC1)CN(C(=O)NCc1ccc(C(F)(F)F)s1)CCO2 ZINC000876342102 662860090 /nfs/dbraw/zinc/86/00/90/662860090.db2.gz OBCOANNKDCGTSD-UHFFFAOYSA-N 1 0 377.432 2.773 20 0 GFADRO C[N@@H+]1C[C@@H]2CCCN(C(=O)NCc3cc(C(F)(F)F)cc(Cl)n3)[C@@H]2C1 ZINC000876373834 662860563 /nfs/dbraw/zinc/86/05/63/662860563.db2.gz RXEKUJSUYUZNAT-GXFFZTMASA-N 1 0 376.810 2.989 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CN(C(=O)C2(c3cc(Cl)cc(Br)c3)CC2)CCO1 ZINC000876543251 662862600 /nfs/dbraw/zinc/86/26/00/662862600.db2.gz IRHAWIFHWDVXEC-QMTHXVAHSA-N 1 0 387.705 2.709 20 0 GFADRO O=C(Nc1cc(Cl)cc(Cl)c1)[C@@H]1CCCN1C(=O)[C@H](F)[C@H]1CC[NH2+]C1 ZINC000876602517 662863289 /nfs/dbraw/zinc/86/32/89/662863289.db2.gz QZJZVDFUTSJJBW-NZVBXONLSA-N 1 0 388.270 2.871 20 0 GFADRO O=C(/C=C\[C@@H]1CCC[NH2+]C1)Nc1cc(Br)ccc1N1CCOCC1 ZINC000876713157 662865218 /nfs/dbraw/zinc/86/52/18/662865218.db2.gz MKHBZNDCXFMASW-XSHSDMCLSA-N 1 0 394.313 2.780 20 0 GFADRO CC[N@@H+](Cc1ccc(S(N)(=O)=O)c(Cl)c1)C[C@@H](O)c1ccc(C)cc1 ZINC000876764658 662866010 /nfs/dbraw/zinc/86/60/10/662866010.db2.gz POSIXUCYUROQPI-QGZVFWFLSA-N 1 0 382.913 2.851 20 0 GFADRO O=C(/C=C\[C@@H]1CCC[NH2+]C1)NCc1nc(-c2cccc(Br)c2)no1 ZINC000876910262 662867889 /nfs/dbraw/zinc/86/78/89/662867889.db2.gz BEDILBLOVQJCHN-DGMVEKRQSA-N 1 0 391.269 2.671 20 0 GFADRO O=C(/C=C/[C@H]1CCC[NH2+]C1)NCc1nc(-c2cccc(Br)c2)no1 ZINC000876910263 662867918 /nfs/dbraw/zinc/86/79/18/662867918.db2.gz BEDILBLOVQJCHN-NNNHXZLVSA-N 1 0 391.269 2.671 20 0 GFADRO CC(C)n1ncc(C(=O)N2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)c1Br ZINC000876921099 662868104 /nfs/dbraw/zinc/86/81/04/662868104.db2.gz KDOOKDGDHMDOTO-ZFWWWQNUSA-N 1 0 399.333 2.585 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(C(=O)C(=O)c3cc(Cl)cc(Cl)c3)C2)C1 ZINC000876947145 662868463 /nfs/dbraw/zinc/86/84/63/662868463.db2.gz WTNIHTLOKSFHLO-LYRGGWFBSA-N 1 0 385.291 2.921 20 0 GFADRO COCC[NH2+]C1CCN(C(=O)c2cc(F)c(Br)cc2F)CC1 ZINC000876944531 662868497 /nfs/dbraw/zinc/86/84/97/662868497.db2.gz NUYACAVIABXATH-UHFFFAOYSA-N 1 0 377.229 2.568 20 0 GFADRO CC(C)(C)[C@H](Cn1ccnc1)[NH2+]Cc1cnn2cc(Br)cnc12 ZINC000876955724 662868653 /nfs/dbraw/zinc/86/86/53/662868653.db2.gz BLJXDYSLBOCEIY-AWEZNQCLSA-N 1 0 377.290 2.893 20 0 GFADRO COC(=O)c1ccc(C[NH2+]C2CCN(C(=O)OC)CC2)cc1Br ZINC000876970891 662868976 /nfs/dbraw/zinc/86/89/76/662868976.db2.gz FSSZXLBJQSYHFS-UHFFFAOYSA-N 1 0 385.258 2.556 20 0 GFADRO COC(=O)c1ccc(C[NH2+][C@H]2CCN(CC(F)(F)F)C2)cc1Br ZINC000876991652 662869325 /nfs/dbraw/zinc/86/93/25/662869325.db2.gz RKNZUOJSDPFWHY-NSHDSACASA-N 1 0 395.219 2.962 20 0 GFADRO CCN(CC[NH3+])C(=O)c1ccccc1N(C)C(=O)c1ccc(Br)o1 ZINC000877007113 662869580 /nfs/dbraw/zinc/86/95/80/662869580.db2.gz DFGYWLGWHPJTOQ-UHFFFAOYSA-N 1 0 394.269 2.740 20 0 GFADRO COC(=O)c1ccc(C[NH2+]CCCN2CCCCC2=O)cc1Br ZINC000877021716 662869773 /nfs/dbraw/zinc/86/97/73/662869773.db2.gz FLBZXSAUUQWZCR-UHFFFAOYSA-N 1 0 383.286 2.728 20 0 GFADRO C[C@H]([NH2+]Cc1cnn2cc(Br)cnc12)[C@H](O)c1ccc(F)cc1 ZINC000877034511 662869927 /nfs/dbraw/zinc/86/99/27/662869927.db2.gz JFOZACNSWSSDRF-BONVTDFDSA-N 1 0 379.233 2.843 20 0 GFADRO [NH3+]CCCCCCC(=O)N[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000877030277 662869935 /nfs/dbraw/zinc/86/99/35/662869935.db2.gz DQSKQRIPHJYGDL-HNNXBMFYSA-N 1 0 382.302 2.580 20 0 GFADRO CSCC[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)N(C)C[C@@H](C)[NH3+] ZINC000877096441 662871012 /nfs/dbraw/zinc/87/10/12/662871012.db2.gz GVXWUOYQSPARNM-YGRLFVJLSA-N 1 0 392.352 2.651 20 0 GFADRO O=C(C(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1)c1cc(Cl)cc(Cl)c1 ZINC000877115705 662871278 /nfs/dbraw/zinc/87/12/78/662871278.db2.gz MHEFJYMITRROOI-INIZCTEOSA-N 1 0 385.291 2.793 20 0 GFADRO O=C(N1CC2(CCOCC2)c2ccc(Br)cc21)[C@@]1(F)CC[NH2+]C1 ZINC000877138733 662871537 /nfs/dbraw/zinc/87/15/37/662871537.db2.gz CAQJVYQMNIGEEK-QGZVFWFLSA-N 1 0 383.261 2.546 20 0 GFADRO [NH3+][C@H]1C[C@H](CNC(=O)Cc2csc(-c3cccc(Br)c3)n2)C1 ZINC000877243670 662872379 /nfs/dbraw/zinc/87/23/79/662872379.db2.gz KCFMPPNLRPMVJN-MJHDQNEOSA-N 1 0 380.311 2.969 20 0 GFADRO CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)CNC(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000877259220 662872608 /nfs/dbraw/zinc/87/26/08/662872608.db2.gz BAQHSYIHMBZZSN-SFHVURJKSA-N 1 0 386.323 2.947 20 0 GFADRO Cc1ccc(CC(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)cc1Br ZINC000877330276 662873765 /nfs/dbraw/zinc/87/37/65/662873765.db2.gz ZDOMCKAUTHLDFB-HNNXBMFYSA-N 1 0 381.314 2.575 20 0 GFADRO COc1ccc(C(=O)NC[C@@H]2Cc3ccccc3C[NH2+]2)c(Br)c1 ZINC000877343027 662874001 /nfs/dbraw/zinc/87/40/01/662874001.db2.gz UKJGUNIEOVSDMG-AWEZNQCLSA-N 1 0 375.266 2.902 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)c2cc(F)c(Br)cc2F)C[C@H]1C(F)(F)F ZINC000877354577 662874105 /nfs/dbraw/zinc/87/41/05/662874105.db2.gz HQFYKFYGMHUHKE-HTRCEHHLSA-N 1 0 387.146 2.937 20 0 GFADRO Cc1cccc(CC(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)c1Br ZINC000877356541 662874317 /nfs/dbraw/zinc/87/43/17/662874317.db2.gz SHUHRZMZBVKNQM-NEPJUHHUSA-N 1 0 379.220 2.896 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)COc2ccc(F)cc2Br)C[C@@H]1C(F)(F)F ZINC000877369130 662874934 /nfs/dbraw/zinc/87/49/34/662874934.db2.gz XSKYNRNTUIHSQC-WPRPVWTQSA-N 1 0 399.182 2.563 20 0 GFADRO C[C@]12C[NH2+]C[C@H]1CN(C(=O)c1cc(-c3ccc(Br)cc3)n[nH]1)C2 ZINC000877377953 662875090 /nfs/dbraw/zinc/87/50/90/662875090.db2.gz HBSAHPHOCQWXIE-YVEFUNNKSA-N 1 0 375.270 2.521 20 0 GFADRO COC(=O)CC[C@@H]1CCCN(C(=O)[C@@](C)([NH3+])c2ccc(Br)cc2)C1 ZINC000877381938 662875199 /nfs/dbraw/zinc/87/51/99/662875199.db2.gz LLSKSYZFCZVNLL-UGSOOPFHSA-N 1 0 397.313 2.815 20 0 GFADRO CCO[P@](C)(=O)CC[C@H](C)[NH2+]CCN(C)S(=O)(=O)c1ccc(F)cc1 ZINC000877496326 662877147 /nfs/dbraw/zinc/87/71/47/662877147.db2.gz RPHQWINFPAEYRZ-BSEYFRJRSA-N 1 0 394.449 2.759 20 0 GFADRO COC(=O)c1ccc(C[N@@H+]2CCC[C@H](CCNC(C)=O)C2)cc1Br ZINC000877530249 662878212 /nfs/dbraw/zinc/87/82/12/662878212.db2.gz RNULLHZQSMTRHS-CQSZACIVSA-N 1 0 397.313 2.974 20 0 GFADRO CCOP(=O)(CCC[NH2+]C[C@H]1CS(=O)(=O)c2ccccc21)OCC ZINC000877557467 662878813 /nfs/dbraw/zinc/87/88/13/662878813.db2.gz RXDDMPVZVCLMQU-AWEZNQCLSA-N 1 0 375.427 2.803 20 0 GFADRO CCN(OC)C(=O)C[NH2+][C@@H]1CCN(C)[C@@H](c2ccc(Br)cc2)C1 ZINC000877607998 662879909 /nfs/dbraw/zinc/87/99/09/662879909.db2.gz OISZGVBIHBUMPK-HZPDHXFCSA-N 1 0 384.318 2.584 20 0 GFADRO CCOc1cc(C[NH+]2CCC3(CCNC3=O)CC2)cc(Br)c1OC ZINC000877783051 662883634 /nfs/dbraw/zinc/88/36/34/662883634.db2.gz AVKZMBNRDWCHEP-UHFFFAOYSA-N 1 0 397.313 2.959 20 0 GFADRO O=C([C@@H]1CCC[N@@H+](C[C@H](O)c2ccc(Cl)c(Cl)c2)C1)N1CCOCC1 ZINC000877928035 662886174 /nfs/dbraw/zinc/88/61/74/662886174.db2.gz KXQFBNQMYMXBBW-PBHICJAKSA-N 1 0 387.307 2.598 20 0 GFADRO OCC1(C[C@@H](O)C[NH+]2CCC(n3cc(Br)cn3)CC2)CCCC1 ZINC000878092025 662889751 /nfs/dbraw/zinc/88/97/51/662889751.db2.gz MMMGRWMDDIJERZ-MRXNPFEDSA-N 1 0 386.334 2.586 20 0 GFADRO CC1(C)CCC[C@H](C[NH+]2CCC(N(CC(F)(F)F)S(C)(=O)=O)CC2)O1 ZINC000878101089 662889924 /nfs/dbraw/zinc/88/99/24/662889924.db2.gz LIOYFZGOAOJIGF-CQSZACIVSA-N 1 0 386.480 2.622 20 0 GFADRO OCCC[N@H+](C[C@H](O)c1cc(Br)no1)[C@H]1CCc2ccccc21 ZINC000878170221 662891154 /nfs/dbraw/zinc/89/11/54/662891154.db2.gz XHFZRNROYPFSBP-GJZGRUSLSA-N 1 0 381.270 2.842 20 0 GFADRO O[C@@H](C[NH2+]C1(c2ccc(F)cc2)CCOCC1)c1cc(Br)no1 ZINC000878239357 662892268 /nfs/dbraw/zinc/89/22/68/662892268.db2.gz GZGFVAHCILLZJL-ZDUSSCGKSA-N 1 0 385.233 2.905 20 0 GFADRO CCCCNC(=O)C1([NH2+]C[C@@H](O)c2cc(Br)no2)CCCCC1 ZINC000878268210 662892702 /nfs/dbraw/zinc/89/27/02/662892702.db2.gz VVOGBBYSCGIIDD-GFCCVEGCSA-N 1 0 388.306 2.679 20 0 GFADRO CN(Cc1ccccc1)CC(C)(C)[NH2+]C[C@H](O)c1cc(Br)no1 ZINC000878298946 662893505 /nfs/dbraw/zinc/89/35/05/662893505.db2.gz OCVVUIYINOJCNU-AWEZNQCLSA-N 1 0 382.302 2.971 20 0 GFADRO COC(=O)CC[N@@H+]1CCN(C[C@@H](O)c2ccc(Cl)c(Cl)c2)[C@@H](C)C1 ZINC000878374714 662894779 /nfs/dbraw/zinc/89/47/79/662894779.db2.gz UPVYISKLGPCGDT-BLLLJJGKSA-N 1 0 375.296 2.596 20 0 GFADRO O[C@@H](C[NH2+][C@@H](c1ccc2c(c1)OCCO2)C1CC1)c1cc(Br)no1 ZINC000878373751 662894793 /nfs/dbraw/zinc/89/47/93/662894793.db2.gz BRPMCIGPJHABMP-YVEFUNNKSA-N 1 0 395.253 2.983 20 0 GFADRO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CC[N@H+](CCCS(=O)(=O)C(C)(C)C)C1 ZINC000878384409 662894995 /nfs/dbraw/zinc/89/49/95/662894995.db2.gz LLPHRIFLTCNVND-GJZGRUSLSA-N 1 0 376.563 2.825 20 0 GFADRO CC(C)(C)S(=O)(=O)CCC[NH2+][C@@H](CO)c1ccc(Br)cc1 ZINC000878396507 662895415 /nfs/dbraw/zinc/89/54/15/662895415.db2.gz LKPADKJHZFISHQ-AWEZNQCLSA-N 1 0 378.332 2.676 20 0 GFADRO C[C@@H]([NH2+]CCn1cnnn1)c1nc(-c2ccc(Br)cc2)cs1 ZINC000878424693 662896063 /nfs/dbraw/zinc/89/60/63/662896063.db2.gz WRQCPDQFSFAZAP-SNVBAGLBSA-N 1 0 379.287 2.910 20 0 GFADRO CN1C(=O)C[C@@H]([NH2+]CCCS(=O)(=O)C(C)(C)C)[C@@H]1c1ccc(Cl)cc1 ZINC000878509872 662897807 /nfs/dbraw/zinc/89/78/07/662897807.db2.gz XHMCILZZDYNVDX-WBVHZDCISA-N 1 0 386.945 2.805 20 0 GFADRO Cc1nc(C[NH2+][C@H](C2CC2)C2(CO)CCOCC2)sc1Br ZINC000878878927 662908194 /nfs/dbraw/zinc/90/81/94/662908194.db2.gz IOGWTPWHCMBEKJ-CYBMUJFWSA-N 1 0 375.332 2.871 20 0 GFADRO O=C(Nc1cccnc1Br)N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000878972633 662911833 /nfs/dbraw/zinc/91/18/33/662911833.db2.gz IZAWVQRPHGALHB-CYBMUJFWSA-N 1 0 383.290 2.609 20 0 GFADRO Cc1cc(NC(=O)N(C)CC[NH+]2CC3(C2)CCOCC3)cnc1Br ZINC000879149258 662918659 /nfs/dbraw/zinc/91/86/59/662918659.db2.gz HOKFZJDZKMZOKC-UHFFFAOYSA-N 1 0 397.317 2.729 20 0 GFADRO COc1ccc(C[N@H+](CCn2cnc(Br)n2)[C@H](C)CCCO)cc1 ZINC000879287108 662922571 /nfs/dbraw/zinc/92/25/71/662922571.db2.gz BPZVSXFDOOUZHF-CQSZACIVSA-N 1 0 397.317 2.712 20 0 GFADRO Cc1c(Br)ccc(NC(=O)N[C@H]2CC[N@H+](CC(C)(C)O)C2)c1F ZINC000879418348 662925642 /nfs/dbraw/zinc/92/56/42/662925642.db2.gz PKFMECMUQBIMLP-NSHDSACASA-N 1 0 388.281 2.863 20 0 GFADRO NC(=O)[C@@H](C1CC1)[N@H+](C[C@H](O)c1ccc(F)c(Br)c1)CC1CC1 ZINC000879486314 662927049 /nfs/dbraw/zinc/92/70/49/662927049.db2.gz LOJGAKWEEGHWDN-JKSUJKDBSA-N 1 0 385.277 2.598 20 0 GFADRO CSc1cc(C(=O)NC[C@](C)(O)CC[NH+](C)C)ccc1Br ZINC000879543636 662928693 /nfs/dbraw/zinc/92/86/93/662928693.db2.gz RAYURWHSIIKKPD-OAHLLOKOSA-N 1 0 375.332 2.604 20 0 GFADRO CCOP(=O)(OCC)[C@H](O)C[NH+]1CCN(c2ccc(F)cc2F)CC1 ZINC000879599714 662930403 /nfs/dbraw/zinc/93/04/03/662930403.db2.gz PCPHCYDVJYKKGO-INIZCTEOSA-N 1 0 378.356 2.671 20 0 GFADRO CC(C)(O)C1CC[NH+](C[C@@H](O)COc2cc(F)cc(Br)c2)CC1 ZINC000879628175 662930706 /nfs/dbraw/zinc/93/07/06/662930706.db2.gz JPFCPEXISFSEPT-OAHLLOKOSA-N 1 0 390.293 2.811 20 0 GFADRO CC[N@@H+]1CC[C@H]1CNC(=O)Nc1cc(N2CCOCC2)ccc1Br ZINC000879803472 662939766 /nfs/dbraw/zinc/93/97/66/662939766.db2.gz PWKWVADVGMSBBX-AWEZNQCLSA-N 1 0 397.317 2.501 20 0 GFADRO Cn1cc(NC(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)c(Br)n1 ZINC000880039352 662946262 /nfs/dbraw/zinc/94/62/62/662946262.db2.gz WISUCHXGTRXLIK-GFCCVEGCSA-N 1 0 382.262 2.734 20 0 GFADRO CCC1([NH+]2CCCCC2)CCN(Cc2csc(CS(C)(=O)=O)n2)CC1 ZINC000880255944 662956660 /nfs/dbraw/zinc/95/66/60/662956660.db2.gz ALNVISMAMKWMRD-UHFFFAOYSA-N 1 0 385.599 2.918 20 0 GFADRO COc1cc(Br)ccc1NC(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000880631168 662965682 /nfs/dbraw/zinc/96/56/82/662965682.db2.gz SGQCNSGHQDRMGR-UHFFFAOYSA-N 1 0 399.333 2.605 20 0 GFADRO O=C(Nc1c2c(ccc1Br)OCC2)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000880803547 662972225 /nfs/dbraw/zinc/97/22/25/662972225.db2.gz URUDYLQENYCWAE-GFCCVEGCSA-N 1 0 378.270 2.862 20 0 GFADRO CSc1ccc2cc(Cn3cc(CC[C@H](O)C[NH3+])nn3)c(Cl)nc2c1 ZINC000881055043 662981382 /nfs/dbraw/zinc/98/13/82/662981382.db2.gz SIWDLASJNZLFTB-AWEZNQCLSA-N 1 0 377.901 2.502 20 0 GFADRO CCCCOC(=O)[C@H](C)n1cc([C@H]([NH3+])c2ccc(Br)cc2)nn1 ZINC000881292443 662989071 /nfs/dbraw/zinc/98/90/71/662989071.db2.gz FNDRNMXPBLYSOO-XHDPSFHLSA-N 1 0 381.274 2.993 20 0 GFADRO CC(C)n1ncc(C(=O)N2CCC[C@H]([NH2+]C3CCOCC3)C2)c1Br ZINC000881478157 662995517 /nfs/dbraw/zinc/99/55/17/662995517.db2.gz MMCTZLVYWRMFIB-AWEZNQCLSA-N 1 0 399.333 2.600 20 0 GFADRO Brc1nnc2ccc(NC3CC[NH+](Cc4ccccc4)CC3)nn12 ZINC000881735701 663001007 /nfs/dbraw/zinc/00/10/07/663001007.db2.gz HMJCIGJISNXIFR-UHFFFAOYSA-N 1 0 387.285 2.963 20 0 GFADRO C[N@@H+]1CCC[C@@H]2CN(S(=O)(=O)c3cnc(Cl)cc3C(F)(F)F)CC[C@@H]21 ZINC000881994532 663012638 /nfs/dbraw/zinc/01/26/38/663012638.db2.gz AZUDVPPRYDIXFP-PWSUYJOCSA-N 1 0 397.850 2.859 20 0 GFADRO O=S(=O)(NCC1CC[NH+](C2CC2)CC1)c1cnc(Cl)cc1C(F)(F)F ZINC000882133253 663017856 /nfs/dbraw/zinc/01/78/56/663017856.db2.gz KGHAEZFLUXHXRU-UHFFFAOYSA-N 1 0 397.850 2.907 20 0 GFADRO Cc1cc(Br)c(Cl)cc1S(=O)(=O)N1CC(C[NH+](C)C)C1 ZINC000882227704 663021530 /nfs/dbraw/zinc/02/15/30/663021530.db2.gz RGZMPPVGAMQBOY-UHFFFAOYSA-N 1 0 381.723 2.593 20 0 GFADRO C[C@@H]1CN(S(=O)(=O)c2c(Cl)ccnc2Cl)CCN1c1cc[nH+]cc1 ZINC000882620583 663033601 /nfs/dbraw/zinc/03/36/01/663033601.db2.gz OOTSTUYVXPFWIE-LLVKDONJSA-N 1 0 387.292 2.683 20 0 GFADRO COC[C@H]([NH2+]C[C@H](CO)Cc1cccc(Br)c1)[C@@H]1CCCOC1 ZINC000883219072 663051541 /nfs/dbraw/zinc/05/15/41/663051541.db2.gz LQNXCBZWFMZRLF-NUJGCVRESA-N 1 0 386.330 2.631 20 0 GFADRO O=S1(=O)CC[C@@H]([NH2+]CCc2ccns2)c2cc(Br)ccc21 ZINC000883247703 663052029 /nfs/dbraw/zinc/05/20/29/663052029.db2.gz SRDKERQXHARONX-CYBMUJFWSA-N 1 0 387.324 2.956 20 0 GFADRO C[C@@H]([NH2+]CC[C@@H]1CCCS1(=O)=O)c1ccccc1I ZINC000883306111 663053308 /nfs/dbraw/zinc/05/33/08/663053308.db2.gz NSDGWOBNHQKULI-NEPJUHHUSA-N 1 0 393.290 2.909 20 0 GFADRO CC(C)(C)OC(=O)NC1CCC([NH2+]C[C@@H](O)C(F)(F)C(F)(F)F)CC1 ZINC000883361059 663053783 /nfs/dbraw/zinc/05/37/83/663053783.db2.gz SKXNZYMBZJEKMW-VQXHTEKXSA-N 1 0 376.366 2.970 20 0 GFADRO Cc1nn(-c2ccccc2Br)cc1C[NH2+][C@H]1C[C@H](S(C)(=O)=O)C1 ZINC000883380485 663054471 /nfs/dbraw/zinc/05/44/71/663054471.db2.gz OHDDQLAYPQCRBN-HDJSIYSDSA-N 1 0 398.326 2.608 20 0 GFADRO CCC1([NH3+])CCN(C(=O)Nc2ccc(Br)cc2C(=O)OC)CC1 ZINC000883549590 663056926 /nfs/dbraw/zinc/05/69/26/663056926.db2.gz QGUIMSBTZCVZFA-UHFFFAOYSA-N 1 0 384.274 2.971 20 0 GFADRO COc1cc(NC(=O)N2CCc3sc(C[NH3+])nc3C2)cc(OC)c1Cl ZINC000883568389 663057258 /nfs/dbraw/zinc/05/72/58/663057258.db2.gz AUJNWAXHCAGCRO-UHFFFAOYSA-N 1 0 382.873 2.863 20 0 GFADRO CCC1([NH3+])CCN(C(=O)Nc2cc(Br)cc3c2NC(=O)CO3)CC1 ZINC000883593872 663057474 /nfs/dbraw/zinc/05/74/74/663057474.db2.gz TZTXVFAWWSWESW-UHFFFAOYSA-N 1 0 397.273 2.515 20 0 GFADRO CN(CCCC[NH+]1CCCCC1)C(=O)NCCn1cc(Br)cn1 ZINC000883694929 663059487 /nfs/dbraw/zinc/05/94/87/663059487.db2.gz QLSAPRULUYXNRZ-UHFFFAOYSA-N 1 0 386.338 2.553 20 0 GFADRO O=C(NCCSCCC(F)(F)F)N1CCC([NH2+]C2CCOCC2)CC1 ZINC000883803854 663061083 /nfs/dbraw/zinc/06/10/83/663061083.db2.gz PUXPUXMWNMDYJU-UHFFFAOYSA-N 1 0 383.480 2.615 20 0 GFADRO Cc1c(Br)cccc1NC(=O)c1ccnc(N2CC[NH2+]CC2)c1 ZINC000884068197 663064456 /nfs/dbraw/zinc/06/44/56/663064456.db2.gz HIGBBRQPAQSQFM-UHFFFAOYSA-N 1 0 375.270 2.814 20 0 GFADRO [NH3+][C@H](CC1CC1)C(=O)NCC1(c2cccc(Br)c2)CCOCC1 ZINC000884095890 663064970 /nfs/dbraw/zinc/06/49/70/663064970.db2.gz CMNNLXDVTZBQJU-MRXNPFEDSA-N 1 0 381.314 2.741 20 0 GFADRO [NH3+][C@@H](C(=O)NCc1ccc2c(c1)OCCCO2)c1ccc(Br)cc1 ZINC000884108956 663065335 /nfs/dbraw/zinc/06/53/35/663065335.db2.gz QONURZXUJXEJFC-QGZVFWFLSA-N 1 0 391.265 2.927 20 0 GFADRO Cn1cc(C(=O)N2CC[NH2+]C[C@H]2c2cccc(Cl)c2)c(Br)n1 ZINC000884279572 663068100 /nfs/dbraw/zinc/06/81/00/663068100.db2.gz OKAHYPBAGRZPLH-ZDUSSCGKSA-N 1 0 383.677 2.623 20 0 GFADRO [NH3+]C[C@H]1CC[C@H](NC(=O)c2cc(Br)nn2-c2ncccc2Cl)C1 ZINC000884303592 663068508 /nfs/dbraw/zinc/06/85/08/663068508.db2.gz SBXQUQGYKHINQH-UWVGGRQHSA-N 1 0 398.692 2.540 20 0 GFADRO [NH3+][C@@H](C(=O)N1CC[C@H](OCc2ccncc2)C1)c1ccc(Br)cc1 ZINC000884334316 663069070 /nfs/dbraw/zinc/06/90/70/663069070.db2.gz MNUYZAVBRDUYHB-DLBZAZTESA-N 1 0 390.281 2.662 20 0 GFADRO O=C(COCCc1ccc(Br)cc1)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000884336645 663069088 /nfs/dbraw/zinc/06/90/88/663069088.db2.gz UPLSRFCUJJBXEG-AEFFLSMTSA-N 1 0 395.341 2.999 20 0 GFADRO O=C(COCCc1ccc(Br)cc1)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000884336646 663069282 /nfs/dbraw/zinc/06/92/82/663069282.db2.gz UPLSRFCUJJBXEG-FUHWJXTLSA-N 1 0 395.341 2.999 20 0 GFADRO CC1(C)[C@H]([NH3+])C[C@@H]1NC(=O)CCc1nc(-c2cc(Br)cs2)no1 ZINC000884352567 663069473 /nfs/dbraw/zinc/06/94/73/663069473.db2.gz KSXHGUDAQHVKKI-MNOVXSKESA-N 1 0 399.314 2.735 20 0 GFADRO CNC(=O)CC1(CNC(=O)[C@H]([NH3+])c2ccc(Br)cc2)CCCCC1 ZINC000884413826 663070374 /nfs/dbraw/zinc/07/03/74/663070374.db2.gz DZARLEKUJXJMNF-MRXNPFEDSA-N 1 0 396.329 2.652 20 0 GFADRO [NH3+]Cc1cccc2c1N(C(=O)c1nn3c(c1Br)CCC3)CCC2 ZINC000884433131 663070631 /nfs/dbraw/zinc/07/06/31/663070631.db2.gz BBTYIDZOWRPHCR-UHFFFAOYSA-N 1 0 375.270 2.644 20 0 GFADRO Cc1cc(N2CCO[C@]3(CCS(=O)(=O)C3)C2)c2ccc(C)c(Cl)c2[nH+]1 ZINC000884542903 663072312 /nfs/dbraw/zinc/07/23/12/663072312.db2.gz PSXXWMLUORRZJI-GOSISDBHSA-N 1 0 380.897 2.899 20 0 GFADRO COc1cc2[nH+]ccc(N[C@@H]3CC[C@@H](O)[C@@H](O)CC3)c2cc1Br ZINC000884625731 663073162 /nfs/dbraw/zinc/07/31/62/663073162.db2.gz QPQPYZIZWJLHOI-SWYJDSQNSA-N 1 0 381.270 2.504 20 0 GFADRO O=S(=O)(Cc1ccc(OC(F)(F)F)cc1)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000884950557 663079238 /nfs/dbraw/zinc/07/92/38/663079238.db2.gz PFQXVSCQCCTLFN-ZIAGYGMSSA-N 1 0 378.416 2.631 20 0 GFADRO O=S(=O)(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cc2ccc(Cl)nc2cc1F ZINC000884952475 663079429 /nfs/dbraw/zinc/07/94/29/663079429.db2.gz OBVRWHYWCIRNBV-CHWSQXEVSA-N 1 0 383.876 2.932 20 0 GFADRO C[C@@H]1CN(c2cc[nH+]cc2)CCN1S(=O)(=O)CC[C@H]1CC1(Cl)Cl ZINC000885848096 663099088 /nfs/dbraw/zinc/09/90/88/663099088.db2.gz PBKFGRKDXAMMDH-OLZOCXBDSA-N 1 0 378.325 2.506 20 0 GFADRO C[C@@H]1CN(c2cc[nH+]cc2)CCN1S(=O)(=O)c1ccc(Cl)nc1Cl ZINC000885845559 663099104 /nfs/dbraw/zinc/09/91/04/663099104.db2.gz MTRYKGBMGOIYSQ-LLVKDONJSA-N 1 0 387.292 2.683 20 0 GFADRO C[C@@H]1CN(c2cc[nH+]cc2)CCN1S(=O)(=O)c1cc(Cl)cnc1Cl ZINC000885848163 663099149 /nfs/dbraw/zinc/09/91/49/663099149.db2.gz PKSFWAWKBUHJOC-LLVKDONJSA-N 1 0 387.292 2.683 20 0 GFADRO O=C(NC[C@@H]1CC[N@@H+]1C1CCOCC1)[C@H]1CCc2cc(Br)ccc21 ZINC000885888391 663100550 /nfs/dbraw/zinc/10/05/50/663100550.db2.gz IFHIVJVGGZGQFC-WMZOPIPTSA-N 1 0 393.325 2.848 20 0 GFADRO Cc1cc(Br)c(F)c(C(=O)NC[C@@H]2CC[N@@H+]2C2CCOCC2)c1 ZINC000885893032 663100686 /nfs/dbraw/zinc/10/06/86/663100686.db2.gz ITIFMBQYRDQKCN-ZDUSSCGKSA-N 1 0 385.277 2.880 20 0 GFADRO C[C@](O)(C[NH+]1CCC(C(=O)Nc2ccc(Br)cn2)CC1)C(F)F ZINC000886051721 663102713 /nfs/dbraw/zinc/10/27/13/663102713.db2.gz BVUWGIWEPOQCAK-HNNXBMFYSA-N 1 0 392.244 2.511 20 0 GFADRO CO[C@H]1CCC[C@@H]([NH2+]CCNS(=O)(=O)c2ccc(F)cc2Cl)CC1 ZINC000886107722 663103405 /nfs/dbraw/zinc/10/34/05/663103405.db2.gz YGFKIYHWDRSJCY-KGLIPLIRSA-N 1 0 378.897 2.695 20 0 GFADRO Cc1nn(-c2ccccc2Br)cc1C[NH2+][C@H](CO)C[C@@H]1CCCO1 ZINC000886219925 663104928 /nfs/dbraw/zinc/10/49/28/663104928.db2.gz AFLGBCVMMDRPRD-HOTGVXAUSA-N 1 0 394.313 2.963 20 0 GFADRO OC[C@@H](C[C@@H]1CCCO1)[NH2+]Cc1cc(Br)c2c(c1)OCCCO2 ZINC000886228937 663105354 /nfs/dbraw/zinc/10/53/54/663105354.db2.gz IFOACVQSDVCXGL-KGLIPLIRSA-N 1 0 386.286 2.630 20 0 GFADRO CCOc1cc(C[NH2+][C@@H]2CC[C@@H](O)[C@@H](O)CC2)cc(Br)c1OC ZINC000886257678 663106355 /nfs/dbraw/zinc/10/63/55/663106355.db2.gz IFEYBWQTHVKVJF-XMQYKBBCSA-N 1 0 388.302 2.610 20 0 GFADRO O[C@@H]1CC[C@@H]([NH2+]Cc2cc(OC(F)F)ccc2Br)CC[C@@H]1O ZINC000886261960 663106522 /nfs/dbraw/zinc/10/65/22/663106522.db2.gz HFXJCOWLODDAOX-OJNYZHBWSA-N 1 0 380.229 2.805 20 0 GFADRO COc1nsc(C[NH2+]C[C@@H]2CC[C@@]3(CO[C@@H](C)C3)O2)c1Br ZINC000886329497 663108448 /nfs/dbraw/zinc/10/84/48/663108448.db2.gz FLMKLSQIVFJMTQ-PKFCDNJMSA-N 1 0 377.304 2.730 20 0 GFADRO COC[C@H]([NH2+]Cc1ccc(F)cc1I)[C@H]1CCCOC1 ZINC000886358582 663108986 /nfs/dbraw/zinc/10/89/86/663108986.db2.gz XRQFZOHILTVQDH-WFASDCNBSA-N 1 0 393.240 2.962 20 0 GFADRO O[C@H](COc1cc(F)cc(Br)c1)C[N@@H+]1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000886822390 663120571 /nfs/dbraw/zinc/12/05/71/663120571.db2.gz PYUIQHNQGCSRTO-PVUWLOKVSA-N 1 0 388.277 2.829 20 0 GFADRO COC[C@H]([NH2+]C[C@@H](O)COc1ccc(Cl)c(Cl)c1)[C@H]1CCCOC1 ZINC000886905129 663124258 /nfs/dbraw/zinc/12/42/58/663124258.db2.gz AFDRPXIFJZUJIU-AHIWAGSCSA-N 1 0 378.296 2.764 20 0 GFADRO COC[C@@H]([NH2+]CC(=O)Nc1ccc(Br)cc1F)[C@H]1CCCOC1 ZINC000886910109 663124655 /nfs/dbraw/zinc/12/46/55/663124655.db2.gz LLDMLTRSDGEXSG-XHDPSFHLSA-N 1 0 389.265 2.558 20 0 GFADRO COC[C@H]([NH2+]CCC(=O)Nc1ccccc1Br)[C@H]1CCCOC1 ZINC000886912640 663124728 /nfs/dbraw/zinc/12/47/28/663124728.db2.gz ZLFGBMSKBMBYLI-BBRMVZONSA-N 1 0 385.302 2.809 20 0 GFADRO CS(=O)(=O)c1cc(NC(=O)N2CCCC[C@@]3(CC[NH2+]C3)C2)ccc1Cl ZINC000886949077 663126011 /nfs/dbraw/zinc/12/60/11/663126011.db2.gz YIYILXGREIQBPQ-KRWDZBQOSA-N 1 0 385.917 2.741 20 0 GFADRO O=c1cc(C[NH2+]CC2(C3(O)CCC3)CCC2)nc2ccc(Br)cn12 ZINC000886978189 663126948 /nfs/dbraw/zinc/12/69/48/663126948.db2.gz QARMOTFSZIGDSX-UHFFFAOYSA-N 1 0 392.297 2.632 20 0 GFADRO CC[C@H](C)[C@H]([NH2+]CC(=O)Nc1ccc(Br)cc1Cl)C(N)=O ZINC000887059342 663129943 /nfs/dbraw/zinc/12/99/43/663129943.db2.gz PRTQBBGOMXBBHK-SDBXPKJASA-N 1 0 376.682 2.531 20 0 GFADRO C[C@H]1CCCN(Cc2csc(NC(=O)N[C@H](CCO)C(F)(F)F)n2)C1 ZINC000887202797 663138808 /nfs/dbraw/zinc/13/88/08/663138808.db2.gz XEAAVVHNUQHBMP-CMPLNLGQSA-N 1 0 380.436 2.810 20 0 GFADRO Brc1ccc(Cc2nc(-c3cn(CC4C[NH2+]C4)nn3)cs2)cc1 ZINC000887478224 663147827 /nfs/dbraw/zinc/14/78/27/663147827.db2.gz OCGWSJRSYKPUEP-UHFFFAOYSA-N 1 0 390.310 2.974 20 0 GFADRO c1sc(C2CCOCC2)nc1-c1cn(CCC[NH+]2CCSCC2)nn1 ZINC000887519459 663150832 /nfs/dbraw/zinc/15/08/32/663150832.db2.gz VDRIVAVGZYOAGA-UHFFFAOYSA-N 1 0 379.555 2.735 20 0 GFADRO C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3[C@@H]4Cc5ccc(Br)cc5[C@@H]43)C[C@]2(C)C1 ZINC000887922082 663169934 /nfs/dbraw/zinc/16/99/34/663169934.db2.gz WXHARCSWHHFHJF-ZIIYPAMZSA-N 1 0 375.310 2.745 20 0 GFADRO Cn1cc(C(=O)NC2CC[NH+](CCc3ccccc3)CC2)c(Br)n1 ZINC000888162727 663181230 /nfs/dbraw/zinc/18/12/30/663181230.db2.gz SPMHLFSQUUOOJY-UHFFFAOYSA-N 1 0 391.313 2.620 20 0 GFADRO C[NH+](C)CCn1ccc(C(=O)Nc2ccnn2Cc2ccc(Cl)s2)n1 ZINC000888255542 663184424 /nfs/dbraw/zinc/18/44/24/663184424.db2.gz BEFNOSPEGMRWRY-UHFFFAOYSA-N 1 0 378.889 2.657 20 0 GFADRO C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)Nc1ccnc(Br)c1 ZINC000888255315 663184447 /nfs/dbraw/zinc/18/44/47/663184447.db2.gz PMIOYSHRQOLKLX-GFCCVEGCSA-N 1 0 376.258 2.982 20 0 GFADRO C[NH+](C)CCn1nccc1C(=O)Nc1ccnn1Cc1ccc(Cl)s1 ZINC000888256172 663184451 /nfs/dbraw/zinc/18/44/51/663184451.db2.gz SPHHTLUKYQRRSF-UHFFFAOYSA-N 1 0 378.889 2.657 20 0 GFADRO Cn1ncc(Br)c1CC(=O)N1C[C@@H]2CCC[N@@H+]2Cc2ccccc21 ZINC000888283625 663185868 /nfs/dbraw/zinc/18/58/68/663185868.db2.gz VZKFPPPJGTXSHL-AWEZNQCLSA-N 1 0 389.297 2.736 20 0 GFADRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2cn(C)nc2Br)C1 ZINC000888370271 663191329 /nfs/dbraw/zinc/19/13/29/663191329.db2.gz CSWZDOVBNYZXAU-GXTWGEPZSA-N 1 0 377.286 2.748 20 0 GFADRO C[N@@H+]1CCC[C@H](CNC(=O)N[C@H](CCO)C(F)(F)F)[C@@H]1c1cccs1 ZINC000888366102 663191367 /nfs/dbraw/zinc/19/13/67/663191367.db2.gz CYWOKPVHWKHKPM-MRVWCRGKSA-N 1 0 379.448 2.744 20 0 GFADRO Cc1cc(Cl)c(NC(=O)NC[C@H]2C[N@@H+](C)CCN2C)cc1Br ZINC000888436463 663198337 /nfs/dbraw/zinc/19/83/37/663198337.db2.gz TYZXLSNVMTZZAV-NSHDSACASA-N 1 0 389.725 2.778 20 0 GFADRO CN1CCN(C)CCN(C(=O)c2csc(-c3ccc(Cl)cc3)n2)CC1 ZINC000888997230 663229172 /nfs/dbraw/zinc/22/91/72/663229172.db2.gz ZOJTTZSVINSECN-UHFFFAOYSA-N 1 0 378.929 2.783 20 0 GFADRO O=C(c1nn2c(c1Br)CCC2)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000889087802 663231711 /nfs/dbraw/zinc/23/17/11/663231711.db2.gz AJSYLQFTERFMNW-ZDUSSCGKSA-N 1 0 381.318 2.682 20 0 GFADRO C[NH+]1CCC2(CCN2C(=O)c2cc(=O)c3cc(Br)ccc3[nH]2)CC1 ZINC000889224236 663237893 /nfs/dbraw/zinc/23/78/93/663237893.db2.gz CEQZVSHUPGVZSE-UHFFFAOYSA-N 1 0 390.281 2.601 20 0 GFADRO CC(C)[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)N1CCC12CC[NH+](C)CC2 ZINC000889223045 663237936 /nfs/dbraw/zinc/23/79/36/663237936.db2.gz KJNMIEXTSQTIQG-OAHLLOKOSA-N 1 0 383.945 2.853 20 0 GFADRO O=C(CCc1cc(Br)ccc1F)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000889762841 663264956 /nfs/dbraw/zinc/26/49/56/663264956.db2.gz KXJLHIRTSHBTPZ-IRXDYDNUSA-N 1 0 399.304 2.578 20 0 GFADRO O=C(c1cc2cc(Br)ccc2[nH]1)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000889777416 663266575 /nfs/dbraw/zinc/26/65/75/663266575.db2.gz YZVMQGUQZJMIKU-IRXDYDNUSA-N 1 0 392.297 2.602 20 0 GFADRO O=C(Nc1cccc(F)c1Br)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000890363702 663297777 /nfs/dbraw/zinc/29/77/77/663297777.db2.gz RPBZYVOMPGIPGY-TZMCWYRMSA-N 1 0 398.276 2.660 20 0 GFADRO COCCC1(NC(=O)N[C@@H](C)Cc2cccc(Br)c2)CC[NH2+]CC1 ZINC000891437754 663339662 /nfs/dbraw/zinc/33/96/62/663339662.db2.gz JWIOLFHGSGSVHN-AWEZNQCLSA-N 1 0 398.345 2.838 20 0 GFADRO O=C(NCc1ccc(Br)c(F)c1)NC[C@H]1C[NH2+]CCC1(F)F ZINC000891543918 663343479 /nfs/dbraw/zinc/34/34/79/663343479.db2.gz OWPARGXSMRKKSW-SNVBAGLBSA-N 1 0 380.208 2.632 20 0 GFADRO C[C@@H](Cc1ccccc1Br)NC(=O)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000891675623 663346803 /nfs/dbraw/zinc/34/68/03/663346803.db2.gz AGMROOJIMFMSRK-AAEUAGOBSA-N 1 0 390.272 2.924 20 0 GFADRO O=C(N[C@@H]1CCOc2c(Br)cccc21)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000891882714 663354237 /nfs/dbraw/zinc/35/42/37/663354237.db2.gz UQNWJRWUGQWCPD-RBSFLKMASA-N 1 0 380.286 2.809 20 0 GFADRO O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)N[C@H]1COc2cc(F)c(Br)cc21 ZINC000891888978 663354509 /nfs/dbraw/zinc/35/45/09/663354509.db2.gz XGGGPVCBPTYRHN-DDIVZENXSA-N 1 0 398.276 2.852 20 0 GFADRO [NH3+][C@H]1CCC[C@@H](NC(=O)NCc2ccn(-c3ccc(Br)cc3)n2)C1 ZINC000892087775 663361420 /nfs/dbraw/zinc/36/14/20/663361420.db2.gz CHRSEPACJURNPI-UONOGXRCSA-N 1 0 392.301 2.704 20 0 GFADRO O=C(N[C@@H]1CC12CC[NH2+]CC2)N[C@H]1[C@@H]2Cc3cc(Br)ccc3[C@@H]21 ZINC000892266654 663367661 /nfs/dbraw/zinc/36/76/61/663367661.db2.gz FFWUGBBZOOMSNK-WCVJEAGWSA-N 1 0 376.298 2.529 20 0 GFADRO CN(C(=O)N[C@@H]1[C@H]2Cc3c(cccc3Br)[C@@H]12)C1CCC([NH3+])CC1 ZINC000892323513 663369364 /nfs/dbraw/zinc/36/93/64/663369364.db2.gz VIPNHZVTZHMJDG-DLFUWXMASA-N 1 0 378.314 2.999 20 0 GFADRO CN(C)Cc1ccc(NC(=O)C(=O)NC2(C3CC3)CCC2)cc1Br ZINC000892329480 663369561 /nfs/dbraw/zinc/36/95/61/663369561.db2.gz BKFXQHWVVZDLBF-UHFFFAOYSA-N 1 0 394.313 2.898 20 0 GFADRO CN(C[C@H](O)c1ccccc1Br)C(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000892482495 663375162 /nfs/dbraw/zinc/37/51/62/663375162.db2.gz XLFNESZZHAWOIG-CJNGLKHVSA-N 1 0 398.345 2.902 20 0 GFADRO CC1(C)C[NH2+]CC[C@@H](NC(=O)N[C@@H](CO)c2ccc(Br)cc2)C1 ZINC000892483226 663375210 /nfs/dbraw/zinc/37/52/10/663375210.db2.gz LEVZCDUBHHZBKP-CABCVRRESA-N 1 0 384.318 2.560 20 0 GFADRO [NH3+][C@H]1CCCO[C@@H]1C1CCN(C(=O)NCCSCCC(F)(F)F)CC1 ZINC000892542569 663376875 /nfs/dbraw/zinc/37/68/75/663376875.db2.gz PZAMLSJLYIBORB-UONOGXRCSA-N 1 0 383.480 2.600 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)NCCSCCC(F)(F)F)CC[C@H]1C(F)(F)F ZINC000892541793 663376903 /nfs/dbraw/zinc/37/69/03/663376903.db2.gz FZRGELIRVHXBPA-VHSXEESVSA-N 1 0 381.386 2.841 20 0 GFADRO C[N@H+](CCCO)C1CCN(c2ncc(Br)c3cccnc32)CC1 ZINC000892553831 663377130 /nfs/dbraw/zinc/37/71/30/663377130.db2.gz STBVUUMSBOTPLJ-UHFFFAOYSA-N 1 0 379.302 2.675 20 0 GFADRO CC(C)NS(=O)(=O)c1cccc(C[NH2+]C[C@H]2C[C@@]2(C)Br)c1 ZINC000892663008 663380445 /nfs/dbraw/zinc/38/04/45/663380445.db2.gz OQJNIGOLAWZQOM-UKRRQHHQSA-N 1 0 375.332 2.636 20 0 GFADRO C[C@]1(NC(=O)[C@@H]2[C@@H]3Cc4ccc(Br)cc4[C@@H]32)C[NH+]2CCC1CC2 ZINC000892761203 663383863 /nfs/dbraw/zinc/38/38/63/663383863.db2.gz XZARHHRQLNXLKX-NTDBWNAOSA-N 1 0 375.310 2.935 20 0 GFADRO CC1(O)CCC([NH2+]CCOc2ccc(S(=O)(=O)C(F)(F)F)cc2)CC1 ZINC000893216174 663402353 /nfs/dbraw/zinc/40/23/53/663402353.db2.gz QFZCOJBOQUDLAT-UHFFFAOYSA-N 1 0 381.416 2.642 20 0 GFADRO NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)c2c(Cl)cccc2Cl)CC1 ZINC000893428228 663410508 /nfs/dbraw/zinc/41/05/08/663410508.db2.gz CIURAFLTBJDTKA-UHFFFAOYSA-N 1 0 384.307 2.939 20 0 GFADRO O=S1CCC([NH2+]Cc2ccc(Cl)cc2I)CC1 ZINC000894066537 663440327 /nfs/dbraw/zinc/44/03/27/663440327.db2.gz DNTKSUXRHHVMSC-UHFFFAOYSA-N 1 0 383.682 2.945 20 0 GFADRO Cn1ncc(C[NH2+][C@H]2CCN(c3cccc(Br)c3)C2=O)c1C1CC1 ZINC000894076055 663441299 /nfs/dbraw/zinc/44/12/99/663441299.db2.gz LUJOWJMRATXOCW-INIZCTEOSA-N 1 0 389.297 2.955 20 0 GFADRO Clc1nc(N2CCOCC2)sc1C[NH2+]C[C@H]1COc2ccccc2C1 ZINC000894137986 663444903 /nfs/dbraw/zinc/44/49/03/663444903.db2.gz WAGZBGQCOQWODI-ZDUSSCGKSA-N 1 0 379.913 2.974 20 0 GFADRO COc1ccccc1OCC[NH2+]Cc1sc(N2CCOCC2)nc1Cl ZINC000894142157 663445148 /nfs/dbraw/zinc/44/51/48/663445148.db2.gz ZVFWIHXCBGMAEP-UHFFFAOYSA-N 1 0 383.901 2.810 20 0 GFADRO Cc1ccnc(N)c1C[NH2+]CCC(=O)N(C)Cc1ccccc1Br ZINC000894255338 663451085 /nfs/dbraw/zinc/45/10/85/663451085.db2.gz DBHICKMYGLPUAK-UHFFFAOYSA-N 1 0 391.313 2.873 20 0 GFADRO Cn1ncc(I)c1C[NH2+]C[C@@H]1CCCO[C@@H]1C(C)(C)C ZINC000894259661 663451478 /nfs/dbraw/zinc/45/14/78/663451478.db2.gz GARHCAWZCAUGAO-FZMZJTMJSA-N 1 0 391.297 2.956 20 0 GFADRO Cn1nc(Br)nc1C[NH2+][C@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1 ZINC000894362675 663457820 /nfs/dbraw/zinc/45/78/20/663457820.db2.gz XVUXMFRYPZXWES-GXTWGEPZSA-N 1 0 384.709 2.766 20 0 GFADRO C[C@H](C[C@H](O)c1cccs1)[NH2+]Cc1cn(C)nc1I ZINC000894369526 663458520 /nfs/dbraw/zinc/45/85/20/663458520.db2.gz AAYBACJBOCYZPZ-KOLCDFICSA-N 1 0 391.278 2.688 20 0 GFADRO C[NH+](C)Cc1cccc(CNCc2sc(N3CCOCC3)nc2Cl)c1 ZINC000894383294 663459281 /nfs/dbraw/zinc/45/92/81/663459281.db2.gz FKDZJYCWUNTKLI-UHFFFAOYSA-N 1 0 380.945 2.985 20 0 GFADRO Cc1[nH+]c2cc(NCc3cn(C)nc3I)ccc2n1C ZINC000894403589 663460097 /nfs/dbraw/zinc/46/00/97/663460097.db2.gz VCRRVSQGUDUUOL-UHFFFAOYSA-N 1 0 381.221 2.832 20 0 GFADRO COc1ccc(CN2CC[C@H]([NH2+]C[C@H]3C[C@@]3(C)Br)C2=O)c(OC)c1 ZINC000894445432 663462089 /nfs/dbraw/zinc/46/20/89/663462089.db2.gz LQQLOPVENIULMF-QIIPPGSGSA-N 1 0 397.313 2.568 20 0 GFADRO C[C@]1(Br)C[C@@H]1C[N@H+](CCCN1CCOCC1)Cc1ccncc1 ZINC000894448797 663462186 /nfs/dbraw/zinc/46/21/86/663462186.db2.gz PSSYIDYAJLQBKJ-MSOLQXFVSA-N 1 0 382.346 2.779 20 0 GFADRO CCN(Cc1nc(Br)nn1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000894467134 663463443 /nfs/dbraw/zinc/46/34/43/663463443.db2.gz WBOZHJHEZTWFID-OAHLLOKOSA-N 1 0 378.318 2.674 20 0 GFADRO CCO[C@H](C[NH2+]Cc1cn(C)nc1I)c1ccccc1 ZINC000894576467 663469802 /nfs/dbraw/zinc/46/98/02/663469802.db2.gz UJGCTAIKBGXOFY-CQSZACIVSA-N 1 0 385.249 2.892 20 0 GFADRO C[C@H]([NH2+]CCC(=O)Nc1cc(Cl)cc(Cl)c1)[C@H]1CCS(=O)(=O)C1 ZINC000894639918 663474085 /nfs/dbraw/zinc/47/40/85/663474085.db2.gz VCYJNSHMHNSRSG-QWRGUYRKSA-N 1 0 379.309 2.735 20 0 GFADRO C[C@@H]1CC[N@H+](CCNC(=O)N[C@H](c2cncc(Br)c2)C2CC2)C1 ZINC000894688862 663476270 /nfs/dbraw/zinc/47/62/70/663476270.db2.gz BWZMSGXQNNOQRX-WBMJQRKESA-N 1 0 381.318 2.936 20 0 GFADRO C[C@@]1(C[C@@H]2CCC[N@@H+]2Cc2cc3ccnc(Cl)c3s2)NC(=O)NC1=O ZINC000894748725 663479425 /nfs/dbraw/zinc/47/94/25/663479425.db2.gz QQFMBHKTHSYSIJ-GTNSWQLSSA-N 1 0 378.885 2.902 20 0 GFADRO Cn1cc(C[NH2+]CCc2nc3ccccc3s2)c(I)n1 ZINC000894761021 663480152 /nfs/dbraw/zinc/48/01/52/663480152.db2.gz MIWCJHBLJNEINJ-UHFFFAOYSA-N 1 0 398.273 2.967 20 0 GFADRO COc1ccc(Br)cc1C[C@@H](CO)C[NH2+]C1CCC(C)(O)CC1 ZINC000894765633 663480507 /nfs/dbraw/zinc/48/05/07/663480507.db2.gz MAHXEZFLPSOYOH-IMUUDWKMSA-N 1 0 386.330 2.892 20 0 GFADRO Cn1ncc(CNc2cc(N3CCOCC3)c(Br)c[nH+]2)c1C1CC1 ZINC000894788707 663481701 /nfs/dbraw/zinc/48/17/01/663481701.db2.gz XCGQKKFYZAFKMI-UHFFFAOYSA-N 1 0 392.301 2.904 20 0 GFADRO CSc1ccc([C@H](CNCc2nc(Br)nn2C)[NH+](C)C)cc1 ZINC000894866001 663485690 /nfs/dbraw/zinc/48/56/90/663485690.db2.gz CIIKARYURJMTBG-ZDUSSCGKSA-N 1 0 384.347 2.692 20 0 GFADRO Cn1ncc(I)c1C[NH2+]C[C@@H]1CC12CCSCC2 ZINC000895032025 663496304 /nfs/dbraw/zinc/49/63/04/663496304.db2.gz VQHOBROKONJWJU-JTQLQIEISA-N 1 0 377.295 2.648 20 0 GFADRO C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)c1nc(Br)ccc1F ZINC000895268711 663506247 /nfs/dbraw/zinc/50/62/47/663506247.db2.gz POMWBLHISBQWRI-LLVKDONJSA-N 1 0 379.233 2.729 20 0 GFADRO CCOC(=O)C(F)(F)[C@@H]1CC[C@@H]([NH2+]Cc2cnc(Br)cn2)C1 ZINC000895408316 663512499 /nfs/dbraw/zinc/51/24/99/663512499.db2.gz UHOUGWJJJYIQLE-NXEZZACHSA-N 1 0 378.217 2.696 20 0 GFADRO C[C@H]1C[C@@H]([NH2+]Cc2cnc(Br)cn2)CN(C(=O)OC(C)(C)C)C1 ZINC000895407833 663512563 /nfs/dbraw/zinc/51/25/63/663512563.db2.gz YILDZDVKVKKODJ-NWDGAFQWSA-N 1 0 385.306 2.974 20 0 GFADRO COC(=O)c1ccc(C[NH2+]C[C@H](CO)Cc2ccoc2)cc1Br ZINC000895585715 663519919 /nfs/dbraw/zinc/51/99/19/663519919.db2.gz OARGIQMEHINEOJ-CQSZACIVSA-N 1 0 382.254 2.770 20 0 GFADRO C[C@]1(Br)C[C@@H]1C[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(F)(F)F ZINC000895661223 663522374 /nfs/dbraw/zinc/52/23/74/663522374.db2.gz CHQRQZQSFNGLCG-WJLGXSQGSA-N 1 0 395.263 2.891 20 0 GFADRO Cc1[nH]nc(I)c1C(=O)Nc1ccccc1C[NH+](C)C ZINC000895689823 663523094 /nfs/dbraw/zinc/52/30/94/663523094.db2.gz WAMYHXISQUYMEV-UHFFFAOYSA-N 1 0 384.221 2.637 20 0 GFADRO C[C@H]([NH2+][C@H](CN(C)C)c1cccc(C(F)(F)F)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000895691701 663523376 /nfs/dbraw/zinc/52/33/76/663523376.db2.gz KVOVPJHKYUSOIO-JGGQBBKZSA-N 1 0 378.460 2.721 20 0 GFADRO Cc1csc(C[C@H]2CCCN(Cc3ccc(S(N)(=O)=O)cc3F)C2)n1 ZINC000895821390 663528602 /nfs/dbraw/zinc/52/86/02/663528602.db2.gz KFZXTCWGYPNPKD-CYBMUJFWSA-N 1 0 383.514 2.693 20 0 GFADRO C[C@@H]1OC[C@]2(CC[C@@H](C[NH2+]Cc3cnn4cc(Br)cnc34)O2)[C@H]1C ZINC000895820345 663528640 /nfs/dbraw/zinc/52/86/40/663528640.db2.gz NTDGFPBCAWEQQE-WXRXAMBDSA-N 1 0 395.301 2.554 20 0 GFADRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1nn2c(c1Br)CCC2 ZINC000895855003 663530296 /nfs/dbraw/zinc/53/02/96/663530296.db2.gz PLRKHDMZTKAMQS-JHJVBQTASA-N 1 0 383.334 2.688 20 0 GFADRO O=C(c1nn2c(c1Br)CCC2)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000896133541 663542107 /nfs/dbraw/zinc/54/21/07/663542107.db2.gz OYDQGQXVORUDBZ-CYBMUJFWSA-N 1 0 381.318 2.682 20 0 GFADRO COc1ccc([C@@H]([NH2+]C(C)C)C(=O)NCc2n[nH]cc2Br)cc1 ZINC000896177156 663543582 /nfs/dbraw/zinc/54/35/82/663543582.db2.gz ZNIDSDJRXQOSAB-OAHLLOKOSA-N 1 0 381.274 2.536 20 0 GFADRO Cn1cc(C[NH2+]C2CC(CCNC(=O)OC(C)(C)C)C2)c(Br)n1 ZINC000896281375 663548816 /nfs/dbraw/zinc/54/88/16/663548816.db2.gz JCOQFQSGNJWDSS-UHFFFAOYSA-N 1 0 387.322 2.966 20 0 GFADRO O=C(NCc1ccc(C(F)(F)F)s1)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000896294753 663549728 /nfs/dbraw/zinc/54/97/28/663549728.db2.gz VBCMUDRUMCWIMQ-OLZOCXBDSA-N 1 0 377.432 2.508 20 0 GFADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)c3cc4c(cncc4Cl)s3)CC2)C1 ZINC000896390355 663554762 /nfs/dbraw/zinc/55/47/62/663554762.db2.gz QBMFDZICGKPEKO-ZDUSSCGKSA-N 1 0 378.929 2.802 20 0 GFADRO Cn1ccc([C@@H]2CCC[N@H+](Cc3cnn4cc(Br)cnc34)C2)n1 ZINC000896487342 663559125 /nfs/dbraw/zinc/55/91/25/663559125.db2.gz FWFSCRLVRWSOFW-GFCCVEGCSA-N 1 0 375.274 2.605 20 0 GFADRO C[C@H](NC(=O)C(F)(F)c1cc(Cl)ccc1Cl)[C@H]1C[N@H+](C)CCN1C ZINC000896532194 663561593 /nfs/dbraw/zinc/56/15/93/663561593.db2.gz AYSDYUGHYYIRHS-IINYFYTJSA-N 1 0 380.266 2.836 20 0 GFADRO C[C@H](NC(=O)c1cc(Br)ccc1C1CC1)[C@@H]1C[N@H+](C)CCN1C ZINC000896531269 663561794 /nfs/dbraw/zinc/56/17/94/663561794.db2.gz ZAFRYCBIBDVBGY-SJCJKPOMSA-N 1 0 380.330 2.691 20 0 GFADRO Cc1cc(CO)cc(C)c1C[NH2+]Cc1cnn2cc(Br)cnc12 ZINC000896562407 663564263 /nfs/dbraw/zinc/56/42/63/663564263.db2.gz VTMTXXZMLNYHJP-UHFFFAOYSA-N 1 0 375.270 2.891 20 0 GFADRO C[C@H](NC(=O)CCCOc1cccc(Cl)c1Cl)[C@@H]1C[N@H+](C)CCN1C ZINC000896567622 663564914 /nfs/dbraw/zinc/56/49/14/663564914.db2.gz HCARJECDTOFLFY-ZFWWWQNUSA-N 1 0 388.339 2.903 20 0 GFADRO CC1([NH+]2CCCC2)CCC(NC(=O)NCc2ncc(Br)cn2)CC1 ZINC000896608584 663567895 /nfs/dbraw/zinc/56/78/95/663567895.db2.gz SCPUZVLTPROZOM-UHFFFAOYSA-N 1 0 396.333 2.835 20 0 GFADRO C[N@@H+]1C[C@H]2CCN(C(=O)N[C@H]3CCOc4ccc(Br)cc43)[C@H]2C1 ZINC000896613102 663568158 /nfs/dbraw/zinc/56/81/58/663568158.db2.gz SKBBAFHKSQLPRW-UGFHNGPFSA-N 1 0 380.286 2.618 20 0 GFADRO COc1cc(Br)cc(C[NH2+][C@@H]2CCC[C@H](S(C)(=O)=O)C2)c1 ZINC000896807818 663577375 /nfs/dbraw/zinc/57/73/75/663577375.db2.gz NKRGJURVZSXLKE-HIFRSBDPSA-N 1 0 376.316 2.903 20 0 GFADRO COc1cc(Br)cc(C[NH2+][C@H]2CCC[C@H](S(C)(=O)=O)C2)c1 ZINC000896807820 663577421 /nfs/dbraw/zinc/57/74/21/663577421.db2.gz NKRGJURVZSXLKE-ZFWWWQNUSA-N 1 0 376.316 2.903 20 0 GFADRO Brc1cnc2c(C[NH2+]CCc3nc4c(s3)CCC4)cnn2c1 ZINC000896841482 663579161 /nfs/dbraw/zinc/57/91/61/663579161.db2.gz LGJQYMPDNAHJIX-UHFFFAOYSA-N 1 0 378.299 2.769 20 0 GFADRO OC[C@@H]1CCC2(CCOCC2)C[N@@H+]1Cc1cn2ccc(Br)cc2n1 ZINC000897178018 663594088 /nfs/dbraw/zinc/59/40/88/663594088.db2.gz ZFENXEZROYNETH-INIZCTEOSA-N 1 0 394.313 2.850 20 0 GFADRO CS(=O)(=O)CC1CCC([NH2+][C@@H](CO)c2ccccc2C(F)(F)F)CC1 ZINC000897330296 663601251 /nfs/dbraw/zinc/60/12/51/663601251.db2.gz PDCSENNGEFEKEQ-ZUEPYMLJSA-N 1 0 379.444 2.932 20 0 GFADRO CCOC(=O)COc1c(Br)cc(C)cc1C[NH2+][C@H]1C[C@H](CO)C1 ZINC000897356963 663602650 /nfs/dbraw/zinc/60/26/50/663602650.db2.gz AKIAMEXYXHYXRE-MQMHXKEQSA-N 1 0 386.286 2.560 20 0 GFADRO COc1cc2[nH+]ccc(NCc3cnc4n3CCOC4)c2cc1Br ZINC000897409095 663604626 /nfs/dbraw/zinc/60/46/26/663604626.db2.gz WMFLUWZRQDSBKG-UHFFFAOYSA-N 1 0 389.253 2.767 20 0 GFADRO C[C@H]1CCC[N@@H+]1CCNC(=O)N(C)C[C@@H](O)c1cccc(Br)c1 ZINC000897509717 663608142 /nfs/dbraw/zinc/60/81/42/663608142.db2.gz ADABBZBMIPWGRC-XJKSGUPXSA-N 1 0 384.318 2.608 20 0 GFADRO C[C@H]1CCC[N@@H+]1CCNC(=O)N1CCCC[C@@H]1c1ncc(Br)cn1 ZINC000897519240 663608407 /nfs/dbraw/zinc/60/84/07/663608407.db2.gz PLDBRVWTXLZAKQ-DZGCQCFKSA-N 1 0 396.333 2.960 20 0 GFADRO COC(=O)c1csc(C[NH2+]CC2(OCCO)CCC(C(F)F)CC2)c1 ZINC000897542473 663609532 /nfs/dbraw/zinc/60/95/32/663609532.db2.gz USBDZMFLJPKHIO-UHFFFAOYSA-N 1 0 377.453 2.827 20 0 GFADRO O=C(N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1)C1C[NH+](C2CCOCC2)C1 ZINC000897617393 663613670 /nfs/dbraw/zinc/61/36/70/663613670.db2.gz ONYVVRRHDZZVAZ-WMLDXEAASA-N 1 0 397.288 2.671 20 0 GFADRO CCN(C(=O)COCCc1ccc(Br)cc1)C1CC[NH+](C)CC1 ZINC000897897062 663624754 /nfs/dbraw/zinc/62/47/54/663624754.db2.gz JDUBYEMGTDWFRO-UHFFFAOYSA-N 1 0 383.330 2.951 20 0 GFADRO Fc1ccc(C[NH2+][C@@H]2CCOC23CCOCC3)c(I)c1 ZINC000898114556 663634289 /nfs/dbraw/zinc/63/42/89/663634289.db2.gz DWNBVQBWPIPDIH-CQSZACIVSA-N 1 0 391.224 2.858 20 0 GFADRO C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]Cc1cnc2n1CCOC2 ZINC000898267368 663641547 /nfs/dbraw/zinc/64/15/47/663641547.db2.gz HXCMFGDADDOKQM-LBPRGKRZSA-N 1 0 393.285 2.683 20 0 GFADRO O=c1[nH]ncc(N2CC[C@H]([NH2+]Cc3ccc(Br)cc3)C2)c1Cl ZINC000898362837 663644534 /nfs/dbraw/zinc/64/45/34/663644534.db2.gz MVIXUNGRUOCQEI-LBPRGKRZSA-N 1 0 383.677 2.967 20 0 GFADRO CC(C)c1nn(C)c(Cl)c1C[NH2+][C@@H]1CCN(c2cn[nH]c(=O)c2Cl)C1 ZINC000898364821 663644609 /nfs/dbraw/zinc/64/46/09/663644609.db2.gz QFEPKSHYGZAWRW-SNVBAGLBSA-N 1 0 385.299 2.714 20 0 GFADRO COC(=O)C1CC2(C1)C[C@@H]([NH2+]Cc1ccc(C)cc1Cl)CCS2(=O)=O ZINC000898486685 663652230 /nfs/dbraw/zinc/65/22/30/663652230.db2.gz FIGVINAGTKLJAK-CSLYMUCUSA-N 1 0 385.913 2.637 20 0 GFADRO COC(=O)C1CC2(C1)C[C@@H]([NH2+][C@H](C)CCc1ccsc1)CCS2(=O)=O ZINC000898487244 663652279 /nfs/dbraw/zinc/65/22/79/663652279.db2.gz JRMLIMWWTUHXLD-REUGXJQISA-N 1 0 385.551 2.558 20 0 GFADRO OC[C@@H]([NH2+][C@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21)c1ccccc1I ZINC000898511176 663653253 /nfs/dbraw/zinc/65/32/53/663653253.db2.gz ACXIWHYFBNRANJ-RMADRBSHSA-N 1 0 399.272 2.728 20 0 GFADRO COC1CCC([NH2+][C@@H](CO)c2ccccc2I)CC1 ZINC000898511278 663653580 /nfs/dbraw/zinc/65/35/80/663653580.db2.gz BITRPKHQZNRXLD-QOZQQMKHSA-N 1 0 375.250 2.872 20 0 GFADRO O=C(NC1CC[NH+](C2CCOCC2)CC1)c1cc(O)cc(Br)c1 ZINC000898641738 663658693 /nfs/dbraw/zinc/65/86/93/663658693.db2.gz YZNBDIILYUYHRM-UHFFFAOYSA-N 1 0 383.286 2.528 20 0 GFADRO Cn1nc(C(F)(F)F)cc1C[NH2+][C@@H]1CCc2ncc(Br)n2C1 ZINC000898719926 663660264 /nfs/dbraw/zinc/66/02/64/663660264.db2.gz ICPSPCCJFGJICD-MRVPVSSYSA-N 1 0 378.196 2.503 20 0 GFADRO C[C@H](NC(=O)c1cc([C@@H]2CCCN2C)n[nH]1)c1ccncc1Br ZINC000899195691 663679438 /nfs/dbraw/zinc/67/94/38/663679438.db2.gz ZPHQWGCTARDWRA-BONVTDFDSA-N 1 0 378.274 2.825 20 0 GFADRO CN(CCCC[NH+]1CCCCC1)C(=O)c1nn2c(c1Br)CCC2 ZINC000899230333 663680421 /nfs/dbraw/zinc/68/04/21/663680421.db2.gz YKCIKJMNDZTYKH-UHFFFAOYSA-N 1 0 383.334 2.930 20 0 GFADRO CCC1([NH+]2CCC2)CCN(C(=O)c2c(Br)nc3n2CCC3)CC1 ZINC000899554706 663693523 /nfs/dbraw/zinc/69/35/23/663693523.db2.gz MCFGIIYHWZYBCJ-UHFFFAOYSA-N 1 0 381.318 2.682 20 0 GFADRO OCC[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=S)Nc1cccc(Br)c1 ZINC000899664210 663697665 /nfs/dbraw/zinc/69/76/65/663697665.db2.gz HYSKNTOVRNPXBY-LSDHHAIUSA-N 1 0 384.343 2.677 20 0 GFADRO O=C(c1cn(C[C@@H]2CCCC[NH2+]C2)nn1)c1ccc(Br)cc1F ZINC000899742430 663699945 /nfs/dbraw/zinc/69/99/45/663699945.db2.gz XDBVHBXDHIXASC-LLVKDONJSA-N 1 0 381.249 2.800 20 0 GFADRO Cc1ccc(Cn2cc(CNC3CC[NH+](C)CC3)nn2)c(Br)c1 ZINC000900552248 663716818 /nfs/dbraw/zinc/71/68/18/663716818.db2.gz HSLBAHFYBOCIHJ-UHFFFAOYSA-N 1 0 378.318 2.581 20 0 GFADRO CC(C)[NH+]1CCN(CCC(=O)NC[C@@H](O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000900753845 663720905 /nfs/dbraw/zinc/72/09/05/663720905.db2.gz ABHHYHGVDKRXJF-QGZVFWFLSA-N 1 0 388.339 2.559 20 0 GFADRO COCCOc1c(Cl)cc(NC(=O)C[C@]2(O)CCC[N@H+](C)C2)cc1Cl ZINC000901320234 663734184 /nfs/dbraw/zinc/73/41/84/663734184.db2.gz BAYKTEYPVLFCRI-QGZVFWFLSA-N 1 0 391.295 2.804 20 0 GFADRO Cc1nc(NC(=O)[C@H](C)[NH2+][C@@H]2CCc3ncc(Br)n3C2)sc1C ZINC000901728882 663743841 /nfs/dbraw/zinc/74/38/41/663743841.db2.gz OMZOCGAUTUQFCH-GXSJLCMTSA-N 1 0 398.330 2.651 20 0 GFADRO C[C@@H]([NH2+][C@H]1CCc2ncc(Br)n2C1)C(=O)N1CCc2ccccc21 ZINC000901730865 663744168 /nfs/dbraw/zinc/74/41/68/663744168.db2.gz YEVCLWQBHMJDIZ-OCCSQVGLSA-N 1 0 389.297 2.528 20 0 GFADRO Cc1cc(Br)ccc1C(=O)N1CCC(N[C@H]2C[NH2+]CC2(C)C)CC1 ZINC000902440898 663761323 /nfs/dbraw/zinc/76/13/23/663761323.db2.gz BBFXSDDWOHOLRT-KRWDZBQOSA-N 1 0 394.357 2.950 20 0 GFADRO OCC[N@@H+]1CCC[C@@H]2[C@H]1CCN2Cn1c(=S)snc1-c1ccccc1 ZINC000902645774 663765193 /nfs/dbraw/zinc/76/51/93/663765193.db2.gz YJMUBDHVJIWCNU-HZPDHXFCSA-N 1 0 376.551 2.830 20 0 GFADRO C[C@@H]([NH2+]C1CCN(S(=O)(=O)C2CC2)CC1)c1ccc(C(F)(F)F)cn1 ZINC000902876845 663768982 /nfs/dbraw/zinc/76/89/82/663768982.db2.gz DGGJQHFXNHYJDW-LLVKDONJSA-N 1 0 377.432 2.708 20 0 GFADRO C[C@@H]([NH2+]CCOC[C@H]1CCOC1)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000903094004 663773183 /nfs/dbraw/zinc/77/31/83/663773183.db2.gz WEFSUPUIITVSFP-OLZOCXBDSA-N 1 0 381.416 2.684 20 0 GFADRO C[C@@H]([NH2+]CCOC[C@H]1CCCO1)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000903098607 663773565 /nfs/dbraw/zinc/77/35/65/663773565.db2.gz RLPYMZBXKSYKJQ-TZMCWYRMSA-N 1 0 381.416 2.826 20 0 GFADRO CCC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2cccc(S(=O)(=O)C(F)(F)F)c2)C1 ZINC000903112904 663774210 /nfs/dbraw/zinc/77/42/10/663774210.db2.gz KLJYRWIPBDHXQV-WCQYABFASA-N 1 0 378.416 2.642 20 0 GFADRO C[C@H]([NH2+][C@@H](C)C1(S(C)(=O)=O)CC1)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000903169968 663776871 /nfs/dbraw/zinc/77/68/71/663776871.db2.gz DSYDJVQGZOEPTN-QWRGUYRKSA-N 1 0 399.456 2.596 20 0 GFADRO CCOC(=O)C(F)(F)[C@H]1CC[C@H]([NH2+]Cc2cn(C)nc2Br)C1 ZINC000903187818 663777437 /nfs/dbraw/zinc/77/74/37/663777437.db2.gz HVKXWQRAERNGSA-QWRGUYRKSA-N 1 0 380.233 2.639 20 0 GFADRO CCS(=O)(=O)CCC[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)CC(C)(C)C1 ZINC000903190744 663777749 /nfs/dbraw/zinc/77/77/49/663777749.db2.gz YXHMGJSHMMXRTO-HNNXBMFYSA-N 1 0 376.563 2.827 20 0 GFADRO C[C@H]([NH2+][C@@H](CO)C[C@H]1CCCO1)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000903218897 663778815 /nfs/dbraw/zinc/77/88/15/663778815.db2.gz DXWYJEFYXDZNNN-IACUBPJLSA-N 1 0 381.416 2.561 20 0 GFADRO C[C@@H]([NH2+]Cc1cnn(CCF)c1)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000903274583 663780885 /nfs/dbraw/zinc/78/08/85/663780885.db2.gz OLWIAFNZWMGNQQ-LLVKDONJSA-N 1 0 379.379 2.997 20 0 GFADRO O=C1Nc2ncc(Br)cc2C[C@@H]1[NH2+][C@H]1CCN(c2ccccc2)C1 ZINC000903323624 663781720 /nfs/dbraw/zinc/78/17/20/663781720.db2.gz FQQXUSVHJZMCKR-HOCLYGCPSA-N 1 0 387.281 2.576 20 0 GFADRO COc1ccc2c(c1)[C@H]([NH2+][C@@H]1Cc3cc(Br)cnc3NC1=O)CC2 ZINC000903326901 663782134 /nfs/dbraw/zinc/78/21/34/663782134.db2.gz VTLVITPCNFDYQZ-HZPDHXFCSA-N 1 0 388.265 2.993 20 0 GFADRO CO[C@]1(C[NH2+][C@H](C)CCCOc2ccc(Cl)c(C)c2)CCS(=O)(=O)C1 ZINC000903364453 663782852 /nfs/dbraw/zinc/78/28/52/663782852.db2.gz WSUAWXDKCDKPMS-QAPCUYQASA-N 1 0 389.945 2.989 20 0 GFADRO C[NH2+]CC1CCN(S(=O)(=O)Cc2cccc(Cl)c2Br)CC1 ZINC000903512786 663786264 /nfs/dbraw/zinc/78/62/64/663786264.db2.gz HWXPIMGBAKIIOT-UHFFFAOYSA-N 1 0 395.750 2.864 20 0 GFADRO CC1(NS(=O)(=O)Cc2cccc(Cl)c2Br)CC[NH2+]CC1 ZINC000903522010 663787098 /nfs/dbraw/zinc/78/70/98/663787098.db2.gz LSERLWLPTUTESJ-UHFFFAOYSA-N 1 0 381.723 2.664 20 0 GFADRO [NH3+][C@H]1CN(CCC(=O)Nc2ccccc2Br)CC[C@H]1C(F)(F)F ZINC000903535692 663787723 /nfs/dbraw/zinc/78/77/23/663787723.db2.gz QEPIMIZJXMASSU-PWSUYJOCSA-N 1 0 394.235 2.989 20 0 GFADRO CN(C1(C[NH3+])CCOCC1)S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000903543209 663788027 /nfs/dbraw/zinc/78/80/27/663788027.db2.gz SSBDLCMHMNMTJI-UHFFFAOYSA-N 1 0 387.716 2.775 20 0 GFADRO Cc1csc(C)c1S(=O)(=O)N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000903572125 663789195 /nfs/dbraw/zinc/78/91/95/663789195.db2.gz WDRSBVLDRIWYDZ-QAPCUYQASA-N 1 0 378.519 2.899 20 0 GFADRO O=S(=O)(N[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1cccc(Cl)c1 ZINC000903573472 663789385 /nfs/dbraw/zinc/78/93/85/663789385.db2.gz IVCGMWNVIHJDKC-WMZOPIPTSA-N 1 0 378.881 2.874 20 0 GFADRO O=S(=O)(N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc(Cl)cc1 ZINC000903573142 663789424 /nfs/dbraw/zinc/78/94/24/663789424.db2.gz GEERZEWZVSKQME-SJLPKXTDSA-N 1 0 378.881 2.874 20 0 GFADRO [NH3+][C@@H]1CN(S(=O)(=O)c2ccc(F)c(C(F)F)c2)CC[C@H]1C(F)(F)F ZINC000903581629 663790438 /nfs/dbraw/zinc/79/04/38/663790438.db2.gz ORSALSMIQMHHKR-MWLCHTKSSA-N 1 0 376.322 2.664 20 0 GFADRO [NH3+]C[C@@H]1Cc2cc(F)ccc2N(S(=O)(=O)c2ccccc2Br)C1 ZINC000903589111 663790802 /nfs/dbraw/zinc/79/08/02/663790802.db2.gz SXITWTJUUGKKJM-NSHDSACASA-N 1 0 399.285 2.915 20 0 GFADRO O=S(=O)(c1oc2ccccc2c1Br)N1CCC[C@@]12CC[NH2+]C2 ZINC000903591548 663791003 /nfs/dbraw/zinc/79/10/03/663791003.db2.gz FVYXRDAIWICHBM-HNNXBMFYSA-N 1 0 385.283 2.712 20 0 GFADRO Brc1ccc([C@@H]2COCCN2C[C@@H]2CC3(CO2)CC[NH2+]CC3)cc1 ZINC000903767152 663806104 /nfs/dbraw/zinc/80/61/04/663806104.db2.gz UTZJJJJDFYZWQV-ROUUACIJSA-N 1 0 395.341 2.981 20 0 GFADRO CS(=O)(=O)c1ccc(-c2nc(CN3CCC[C@]34CC[NH2+]C4)cs2)cc1 ZINC000903868481 663809494 /nfs/dbraw/zinc/80/94/94/663809494.db2.gz ZFRAZGLZAABMFE-GOSISDBHSA-N 1 0 377.535 2.542 20 0 GFADRO COc1ccc(Br)cc1CN(C)C[C@@H](C[NH3+])Cc1cnn(C)c1C ZINC000903877006 663809780 /nfs/dbraw/zinc/80/97/80/663809780.db2.gz JVMCSKOJJNJYDC-CQSZACIVSA-N 1 0 395.345 2.749 20 0 GFADRO Fc1ccc(Br)c2c1CN(Cc1cnnn1[C@@H]1CCC[NH2+]C1)CC2 ZINC000903905760 663810908 /nfs/dbraw/zinc/81/09/08/663810908.db2.gz NHNPAOATQNSDPW-GFCCVEGCSA-N 1 0 394.292 2.663 20 0 GFADRO [NH3+]Cc1nc2c(s1)CCN(Cc1cc3c(c(Br)c1)OCO3)C2 ZINC000903941177 663813050 /nfs/dbraw/zinc/81/30/50/663813050.db2.gz PTUIRRFPEJOPJV-UHFFFAOYSA-N 1 0 382.283 2.651 20 0 GFADRO FC1(F)CC[NH2+]C[C@H]1CNCc1cn(-c2cccc(Cl)c2Cl)nn1 ZINC000903957715 663813684 /nfs/dbraw/zinc/81/36/84/663813684.db2.gz SXOQNIDQNXLBBN-JTQLQIEISA-N 1 0 376.238 2.909 20 0 GFADRO Cc1c(-c2nc([C@@H]3CCC[NH2+]3)no2)nnn1-c1ccccc1Br ZINC000904075926 663822880 /nfs/dbraw/zinc/82/28/80/663822880.db2.gz SLIYDHUNRKPNNZ-NSHDSACASA-N 1 0 375.230 2.813 20 0 GFADRO [NH3+]C1(CNC(=O)Nc2ccc(Cl)c(C(=O)NCc3cccs3)c2)CC1 ZINC000904368053 663831838 /nfs/dbraw/zinc/83/18/38/663831838.db2.gz HFKPNRAJTLHLRZ-UHFFFAOYSA-N 1 0 378.885 2.944 20 0 GFADRO COc1cc(NC(=O)N2CC[C@@H]3CC[C@@]32C[NH3+])cc(OC)c1Br ZINC000904404786 663832796 /nfs/dbraw/zinc/83/27/96/663832796.db2.gz FUFVSFYRGDWFKJ-MGPLVRAMSA-N 1 0 384.274 2.811 20 0 GFADRO [NH3+]C[C@H]1C[C@H](NC(=O)Nc2ccnn2Cc2ccccc2Br)C1 ZINC000904428298 663833853 /nfs/dbraw/zinc/83/38/53/663833853.db2.gz JCWGBXBGZHVWEF-AULYBMBSSA-N 1 0 378.274 2.553 20 0 GFADRO COC(=O)c1cccc(NC(=O)N2CCC[C@]23CC[NH2+]C3)c1Br ZINC000904448595 663834752 /nfs/dbraw/zinc/83/47/52/663834752.db2.gz CBHFTRISIYRMIW-MRXNPFEDSA-N 1 0 382.258 2.596 20 0 GFADRO COCCOc1ccc(NC(=O)N2CC[C@H](CC[NH3+])C2)cc1Br ZINC000904548522 663837467 /nfs/dbraw/zinc/83/74/67/663837467.db2.gz MBSSUYNAJSECLI-LBPRGKRZSA-N 1 0 386.290 2.677 20 0 GFADRO COCCOc1ccc(NC(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1Br ZINC000904550226 663837700 /nfs/dbraw/zinc/83/77/00/663837700.db2.gz DCXJEEHUQFUKAB-IUODEOHRSA-N 1 0 398.301 2.690 20 0 GFADRO COCCOc1ccc(NC(=O)N[C@@H](CC[NH3+])C(F)F)cc1Br ZINC000904552332 663838162 /nfs/dbraw/zinc/83/81/62/663838162.db2.gz UXSMNWLNBKOLHM-NSHDSACASA-N 1 0 396.232 2.578 20 0 GFADRO COCCOc1ccc(NC(=O)N[C@H]2CC[NH2+]C2(C)C)cc1Br ZINC000904552806 663838232 /nfs/dbraw/zinc/83/82/32/663838232.db2.gz ZBUJBLDCLORAQC-AWEZNQCLSA-N 1 0 386.290 2.736 20 0 GFADRO C[C@H](c1cccs1)c1noc(-c2cc(Br)cn(CC[NH3+])c2=O)n1 ZINC000904618037 663838705 /nfs/dbraw/zinc/83/87/05/663838705.db2.gz WUIPRIDKKHOJBZ-SECBINFHSA-N 1 0 395.282 2.833 20 0 GFADRO CC(C)(C[NH3+])Cc1nc(CS(=O)(=O)c2cc(Cl)ccc2Cl)no1 ZINC000904653353 663839542 /nfs/dbraw/zinc/83/95/42/663839542.db2.gz ZHLHCDYXDGCYQF-UHFFFAOYSA-N 1 0 378.281 2.878 20 0 GFADRO [NH3+]Cc1ccccc1NC(=O)N1CCC(n2cc(Br)cn2)CC1 ZINC000904662302 663839601 /nfs/dbraw/zinc/83/96/01/663839601.db2.gz ZDFXHIUJQNHVLL-UHFFFAOYSA-N 1 0 378.274 2.973 20 0 GFADRO O=C(Cc1noc(C2=CCC[NH2+]CC2)n1)Nc1ccccc1Br ZINC000904689592 663840927 /nfs/dbraw/zinc/84/09/27/663840927.db2.gz LZRVUYZHASBAGW-UHFFFAOYSA-N 1 0 377.242 2.780 20 0 GFADRO C[C@]1(c2nc(-c3cccn4c(I)cnc34)no2)CCC[NH2+]1 ZINC000904698449 663841628 /nfs/dbraw/zinc/84/16/28/663841628.db2.gz AXBRJJZRUCASGV-CQSZACIVSA-N 1 0 395.204 2.588 20 0 GFADRO [NH3+]CCn1cc(Br)cc(-c2nc([C@H]3CCC(F)(F)C3)no2)c1=O ZINC000904713337 663842071 /nfs/dbraw/zinc/84/20/71/663842071.db2.gz UJONPLFRRYSTME-QMMMGPOBSA-N 1 0 389.200 2.522 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)C[NH2+]C[C@@H](O)CC1(O)CCCCC1 ZINC000905028185 663849975 /nfs/dbraw/zinc/84/99/75/663849975.db2.gz YDKXPCAIKWTSOB-HNNXBMFYSA-N 1 0 399.329 2.732 20 0 GFADRO CC[C@@H](CS(=O)(=O)c1ccccc1)[NH2+]C[C@](C)(O)C(F)(F)C(F)(F)F ZINC000905179194 663857005 /nfs/dbraw/zinc/85/70/05/663857005.db2.gz HULHQNMIBMCOQN-AAEUAGOBSA-N 1 0 389.386 2.777 20 0 GFADRO Cc1nc2c(n1CCO)CC[C@@H]([NH2+]C[C@@H](O)c1ccc(Cl)c(Cl)c1)C2 ZINC000905372336 663868324 /nfs/dbraw/zinc/86/83/24/663868324.db2.gz JXBFGXREQGPXBX-FZKQIMNGSA-N 1 0 384.307 2.671 20 0 GFADRO COc1cccc([C@H](CNC(=O)C[C@@H](O)C(Cl)(Cl)Cl)[NH+](C)C)c1 ZINC000905392700 663869244 /nfs/dbraw/zinc/86/92/44/663869244.db2.gz NVIIRJWRWLGKSL-QWHCGFSZSA-N 1 0 383.703 2.535 20 0 GFADRO OCC1(C[C@H](O)C[NH2+][C@@H]2[C@@H]3Cc4c(cccc4Br)[C@@H]32)CCCC1 ZINC000905400031 663869563 /nfs/dbraw/zinc/86/95/63/663869563.db2.gz RFDRLCPLKGXDKM-LGRHPFTQSA-N 1 0 380.326 2.981 20 0 GFADRO C[C@@](O)(C[NH2+]CC[C@H]1CCC2(CCOCC2)CO1)C(F)(F)C(F)(F)F ZINC000905472100 663872913 /nfs/dbraw/zinc/87/29/13/663872913.db2.gz CXQHDLYNBJZAHS-CHWSQXEVSA-N 1 0 375.378 2.891 20 0 GFADRO CS(=O)(=O)C1CCC(C[NH2+]C[C@@H](O)c2ccccc2Br)CC1 ZINC000905510764 663875021 /nfs/dbraw/zinc/87/50/21/663875021.db2.gz ZXCYNQMMGVKPCL-SEEARECTSA-N 1 0 390.343 2.676 20 0 GFADRO OCCc1ccc(C[NH2+]C[C@H](O)COc2ccc(Br)cc2)cc1 ZINC000905692123 663886575 /nfs/dbraw/zinc/88/65/75/663886575.db2.gz QWOWEHNDUGNFPD-KRWDZBQOSA-N 1 0 380.282 2.513 20 0 GFADRO CCOCCCNC(=O)[C@@H](C)[NH2+][C@@H]1CCOc2ccc(Br)cc21 ZINC000905855615 663897210 /nfs/dbraw/zinc/89/72/10/663897210.db2.gz LFAGQFZQFJPROR-IUODEOHRSA-N 1 0 385.302 2.794 20 0 GFADRO C[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)c2ccc(Br)cc2O1 ZINC000906051297 663914087 /nfs/dbraw/zinc/91/40/87/663914087.db2.gz IHJIALNYGRTIRO-GFCCVEGCSA-N 1 0 383.286 2.674 20 0 GFADRO C[C@@H](CNC(=O)c1cc(Br)cn(C2CC2)c1=O)[NH+]1CCC(C)CC1 ZINC000906429738 663947231 /nfs/dbraw/zinc/94/72/31/663947231.db2.gz LWEPFHNSYDWIPW-ZDUSSCGKSA-N 1 0 396.329 2.796 20 0 GFADRO COC(=O)c1nc(C(=O)N(CC[NH+](C)C)Cc2cccc(Cl)c2)cs1 ZINC000906443708 663948573 /nfs/dbraw/zinc/94/85/73/663948573.db2.gz RNYUUODPQWMYPN-UHFFFAOYSA-N 1 0 381.885 2.787 20 0 GFADRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)c2nscc2I)C1 ZINC000906449640 663948859 /nfs/dbraw/zinc/94/88/59/663948859.db2.gz FVBKVEZSUZUOOY-SNVBAGLBSA-N 1 0 393.294 2.598 20 0 GFADRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)c2cc(Br)cn(C3CC3)c2=O)C1 ZINC000906450755 663949054 /nfs/dbraw/zinc/94/90/54/663949054.db2.gz NFJUNHDVUGTBNF-CYBMUJFWSA-N 1 0 396.329 2.796 20 0 GFADRO O=C(c1cnnn1-c1cc(Cl)ccc1Cl)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000906521551 663955421 /nfs/dbraw/zinc/95/54/21/663955421.db2.gz BBUOBZOBVMJDDH-CYBMUJFWSA-N 1 0 380.279 2.884 20 0 GFADRO CC(C)([NH3+])c1ccc(NC(=O)C(=O)NCc2ccc(Br)s2)cc1 ZINC000906646902 663962536 /nfs/dbraw/zinc/96/25/36/663962536.db2.gz ZBWQEFUOHFHUMN-UHFFFAOYSA-N 1 0 396.310 2.959 20 0 GFADRO C[NH+](C)CC1CCN(C(=O)c2cnnn2-c2cc(Cl)ccc2Cl)CC1 ZINC000906673503 663964442 /nfs/dbraw/zinc/96/44/42/663964442.db2.gz IHJAKXDPFZOJPO-UHFFFAOYSA-N 1 0 382.295 2.988 20 0 GFADRO Cc1ccc(NC(=O)C[C@H](O)C(Cl)(Cl)Cl)c(OCC[NH+](C)C)c1 ZINC000906762966 663969159 /nfs/dbraw/zinc/96/91/59/663969159.db2.gz IJSFEBNTHYTVAV-ZDUSSCGKSA-N 1 0 383.703 2.995 20 0 GFADRO C[C@@H]1C[C@H](N(C)C(=O)C(F)(F)c2ncccc2Br)CC[N@@H+]1C ZINC000906790595 663971257 /nfs/dbraw/zinc/97/12/57/663971257.db2.gz KARCMSSXSZFOEA-GHMZBOCLSA-N 1 0 376.245 2.877 20 0 GFADRO CC(C)n1cc(Br)c(C(=O)N2CC[C@@H](OCC[NH+]3CCCC3)C2)n1 ZINC000907017419 663993297 /nfs/dbraw/zinc/99/32/97/663993297.db2.gz NMIJHYMCTPFCQI-CQSZACIVSA-N 1 0 399.333 2.553 20 0 GFADRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3cccn4ncc(Br)c34)CC[C@@H]21 ZINC000907038092 663995434 /nfs/dbraw/zinc/99/54/34/663995434.db2.gz QQVJDNKUNKSMPF-WFASDCNBSA-N 1 0 377.286 2.653 20 0 GFADRO Cc1cc(Br)c(CC(=O)NCCCC[N@@H+]2CCC[C@@H]2CO)s1 ZINC000907067413 663999176 /nfs/dbraw/zinc/99/91/76/663999176.db2.gz GAJMADAORVDDIY-CYBMUJFWSA-N 1 0 389.359 2.715 20 0 GFADRO CS[C@H]1CN(C(=O)c2c[nH]c(=NC(=O)OC(C)(C)C)s2)C[C@@H]1[NH+](C)C ZINC000907147231 664006726 /nfs/dbraw/zinc/00/67/26/664006726.db2.gz SKSFBSDKHSQMIV-JQWIXIFHSA-N 1 0 386.543 2.608 20 0 GFADRO CO[C@@H](CS(=O)(=O)N(C)C[C@H]1CC[N@H+](Cc2ccc(C)s2)C1)C1CC1 ZINC000907348187 664027183 /nfs/dbraw/zinc/02/71/83/664027183.db2.gz ZREPIOXFQCKSHW-QAPCUYQASA-N 1 0 386.583 2.565 20 0 GFADRO C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)N1CC=C(c2cccc(Br)c2)CC1 ZINC000907385943 664030589 /nfs/dbraw/zinc/03/05/89/664030589.db2.gz OYXRZIASYUIOKT-SJLPKXTDSA-N 1 0 379.298 2.520 20 0 GFADRO O=C(NCc1ccc(Cl)cc1I)C12CC[NH+](CC1)C2 ZINC000907782540 664061832 /nfs/dbraw/zinc/06/18/32/664061832.db2.gz JIOIVTCQLSAUEO-UHFFFAOYSA-N 1 0 390.652 2.657 20 0 GFADRO C[N@@H+]1CCC[C@@](O)(CC(=O)N[C@H]2CSc3ccc(Br)cc32)C1 ZINC000907818798 664063539 /nfs/dbraw/zinc/06/35/39/664063539.db2.gz STERKLHYYDKIIQ-XJKSGUPXSA-N 1 0 385.327 2.559 20 0 GFADRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1cccn2ncc(Br)c12 ZINC000908150016 664088123 /nfs/dbraw/zinc/08/81/23/664088123.db2.gz YARNDWHLQZRUFI-OLZOCXBDSA-N 1 0 377.286 2.796 20 0 GFADRO C[C@@H](C[NH+](C)C)NC(=O)c1c(Cl)ccc(I)c1F ZINC000908195230 664091088 /nfs/dbraw/zinc/09/10/88/664091088.db2.gz LJSWUKQOSBEVQD-ZETCQYMHSA-N 1 0 384.620 2.764 20 0 GFADRO O=C(NCCCCC[NH+]1CCCC1)c1cc(Br)cn(C2CC2)c1=O ZINC000908428501 664105583 /nfs/dbraw/zinc/10/55/83/664105583.db2.gz XWLOCKRDZBNGJA-UHFFFAOYSA-N 1 0 396.329 2.942 20 0 GFADRO CC(C)[NH2+]C1(CO)CCN(C(=O)CCc2cccc(Br)c2)CC1 ZINC000908585721 664115859 /nfs/dbraw/zinc/11/58/59/664115859.db2.gz PEYFABNKKDXDPY-UHFFFAOYSA-N 1 0 383.330 2.733 20 0 GFADRO CC(C)[NH2+]C1(CO)CCN(C(=O)[C@H](C)Oc2ccccc2Br)CC1 ZINC000908599372 664116753 /nfs/dbraw/zinc/11/67/53/664116753.db2.gz TZZKHNNRKGSMIH-AWEZNQCLSA-N 1 0 399.329 2.568 20 0 GFADRO CN(C(=O)C[C@H](O)C(Cl)(Cl)Cl)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000909440224 664158948 /nfs/dbraw/zinc/15/89/48/664158948.db2.gz RXSUMTSQJHPGMS-JTQLQIEISA-N 1 0 399.668 2.983 20 0 GFADRO Cc1[nH]nc(I)c1C(=O)Nc1ccc(C[NH+](C)C)cc1C ZINC000909598156 664164620 /nfs/dbraw/zinc/16/46/20/664164620.db2.gz LSBJPFDQYWWQJJ-UHFFFAOYSA-N 1 0 398.248 2.945 20 0 GFADRO O=C(NC[C@@H]1CCCC[NH2+]1)c1c(Cl)ccc(I)c1F ZINC000911714915 664253990 /nfs/dbraw/zinc/25/39/90/664253990.db2.gz SLKOJNKGHMOECX-QMMMGPOBSA-N 1 0 396.631 2.956 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)c2cc3ccc(Br)cc3c(=O)o2)C1 ZINC000911825438 664257546 /nfs/dbraw/zinc/25/75/46/664257546.db2.gz ODSYNKNZLDESHI-JQWIXIFHSA-N 1 0 379.254 2.755 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)c2cc(Br)cnc2Br)C1 ZINC000911824392 664257566 /nfs/dbraw/zinc/25/75/66/664257566.db2.gz NSOFNHTUXFIUKN-RKDXNWHRSA-N 1 0 391.107 2.806 20 0 GFADRO C[NH+]1CCC(N(CCO)C(=O)Cc2ccc(Cl)cc2Br)CC1 ZINC000911939212 664262836 /nfs/dbraw/zinc/26/28/36/664262836.db2.gz QXZOAOHFJZWVLI-UHFFFAOYSA-N 1 0 389.721 2.560 20 0 GFADRO Cc1nnc(NC(=O)C2(c3ccc(Br)cc3)CC[NH2+]CC2)s1 ZINC000911981282 664264740 /nfs/dbraw/zinc/26/47/40/664264740.db2.gz UIBFFZVKHOWLDI-UHFFFAOYSA-N 1 0 381.299 2.869 20 0 GFADRO CN(Cc1ccc(Br)cc1)C(=O)[C@@H]1CC[NH2+][C@H]([C@@H]2CCCO2)C1 ZINC000912013599 664266163 /nfs/dbraw/zinc/26/61/63/664266163.db2.gz VRTNKDRZCZEDTC-PVAVHDDUSA-N 1 0 381.314 2.955 20 0 GFADRO CC(C)OC(=O)CCNC(=O)C1(c2ccc(Br)cc2)CC[NH2+]CC1 ZINC000912136771 664271614 /nfs/dbraw/zinc/27/16/14/664271614.db2.gz MLZMIBVUAFMLKA-UHFFFAOYSA-N 1 0 397.313 2.528 20 0 GFADRO O=C(c1cc(Cl)cc(Cl)c1)N1CCN(C(=O)C23CCC(CC2)[NH2+]3)CC1 ZINC000912235549 664277020 /nfs/dbraw/zinc/27/70/20/664277020.db2.gz YFCYULUWWXJSFO-UHFFFAOYSA-N 1 0 382.291 2.562 20 0 GFADRO O=C(c1ccc(Cl)cc1Cl)N1CCN(C(=O)C23CCC(CC2)[NH2+]3)CC1 ZINC000912288715 664279810 /nfs/dbraw/zinc/27/98/10/664279810.db2.gz GGZYSEDARJGBMX-UHFFFAOYSA-N 1 0 382.291 2.562 20 0 GFADRO Cc1ccccc1[C@H](C)N(C)C(=O)c1cc(Br)cn(CC[NH3+])c1=O ZINC000912350199 664282956 /nfs/dbraw/zinc/28/29/56/664282956.db2.gz CCEQYENYLRMQDG-ZDUSSCGKSA-N 1 0 392.297 2.711 20 0 GFADRO Cc1cc([C@@H](C)NC(=O)c2cc(Br)cn(CC[NH3+])c2=O)c(C)s1 ZINC000912368189 664283709 /nfs/dbraw/zinc/28/37/09/664283709.db2.gz OVCIIWMTIMAOEP-SNVBAGLBSA-N 1 0 398.326 2.739 20 0 GFADRO C[C@@]1(NC(=O)C[C@H]2Sc3ccc(Cl)cc3NC2=O)C[NH+]2CCC1CC2 ZINC000912379790 664284234 /nfs/dbraw/zinc/28/42/34/664284234.db2.gz PJFDRAOGJUMZGZ-CRAIPNDOSA-N 1 0 379.913 2.743 20 0 GFADRO Cc1csc(SCc2ccccc2C(=O)N(C)CC[N@H+](C)CCO)n1 ZINC000912610534 664294657 /nfs/dbraw/zinc/29/46/57/664294657.db2.gz HZGORZRTHAEYSF-UHFFFAOYSA-N 1 0 379.551 2.740 20 0 GFADRO Cn1ccnc1[C@H](NC(=O)C1CC[NH+](C)CC1)c1ccc(Br)cc1 ZINC000912677464 664296465 /nfs/dbraw/zinc/29/64/65/664296465.db2.gz RSVMIZVZTKQMSZ-MRXNPFEDSA-N 1 0 391.313 2.730 20 0 GFADRO O=C(NC[C@@H]1CCC[N@H+](CC2CC2)C1)[C@H](O)c1cccc(Br)c1 ZINC000912765077 664300841 /nfs/dbraw/zinc/30/08/41/664300841.db2.gz RCOHFAUHCHYTLC-WMLDXEAASA-N 1 0 381.314 2.721 20 0 GFADRO O=C(c1cn(-c2ccc(Br)cc2)cn1)N1CCC([NH+]2CCC2)CC1 ZINC000912876305 664307119 /nfs/dbraw/zinc/30/71/19/664307119.db2.gz GDHMPZLGEKQIMF-UHFFFAOYSA-N 1 0 389.297 2.945 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C(=O)N1CC[C@H]([NH+]2CCC2)C1 ZINC000912911725 664309882 /nfs/dbraw/zinc/30/98/82/664309882.db2.gz NRMAUAFJAYFRBE-INIZCTEOSA-N 1 0 389.297 2.863 20 0 GFADRO Cc1c(C(=O)N2CC[C@H]([NH+]3CCC3)C2)cnn1-c1ccc(Br)cc1 ZINC000912922535 664310515 /nfs/dbraw/zinc/31/05/15/664310515.db2.gz SZNBIQJDMYNRSG-INIZCTEOSA-N 1 0 389.297 2.863 20 0 GFADRO Cc1nc2ccc(Br)cn2c1C(=O)N1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1 ZINC000913278257 664331104 /nfs/dbraw/zinc/33/11/04/664331104.db2.gz CYTVVQMTKKGNEJ-QZTJIDSGSA-N 1 0 391.313 2.819 20 0 GFADRO COC(=O)c1cc(Br)cc(C(=O)N2CCC(C)([NH+](C)C)CC2)c1 ZINC000913389830 664334724 /nfs/dbraw/zinc/33/47/24/664334724.db2.gz FTTRDEWSKQXZHX-UHFFFAOYSA-N 1 0 383.286 2.792 20 0 GFADRO Cc1cc(Br)c(C(=O)N2CCC(O)(C[NH+](C)C)CC2)cc1Cl ZINC000913677096 664348890 /nfs/dbraw/zinc/34/88/90/664348890.db2.gz ZXXQLRGSYZGUFU-UHFFFAOYSA-N 1 0 389.721 2.940 20 0 GFADRO Cc1nc(-c2cccs2)c(CC(=O)N2CCC(O)(C[NH+](C)C)CC2)s1 ZINC000913676453 664348923 /nfs/dbraw/zinc/34/89/23/664348923.db2.gz XXTGULFVJOGKCI-UHFFFAOYSA-N 1 0 379.551 2.638 20 0 GFADRO C[C@@H](Sc1nc2ccccc2s1)C(=O)N1CCC(O)(C[NH+](C)C)CC1 ZINC000913679275 664349229 /nfs/dbraw/zinc/34/92/29/664349229.db2.gz UNBXEAGDQFQGOE-CYBMUJFWSA-N 1 0 379.551 2.692 20 0 GFADRO C[NH+](C)CC1(O)CCN(C(=O)Cc2ccc(Br)c(Cl)c2)CC1 ZINC000913677868 664349329 /nfs/dbraw/zinc/34/93/29/664349329.db2.gz ILBJFWDQPICKFQ-UHFFFAOYSA-N 1 0 389.721 2.560 20 0 GFADRO C[C@H](C(=O)N1CC[NH+](CCCCCO)CC1)c1ccc(Br)s1 ZINC000913691788 664350794 /nfs/dbraw/zinc/35/07/94/664350794.db2.gz KRKBASQJHLKPLH-ZDUSSCGKSA-N 1 0 389.359 2.921 20 0 GFADRO C[N@@H+]1CCC[C@@](O)(CC(=O)NCC(=O)c2sc3ccccc3c2Cl)C1 ZINC000913790090 664358230 /nfs/dbraw/zinc/35/82/30/664358230.db2.gz IVLCAZWOJPWWEZ-GOSISDBHSA-N 1 0 380.897 2.700 20 0 GFADRO O=C(NCCSc1ccc(Cl)cc1)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000913925835 664366051 /nfs/dbraw/zinc/36/60/51/664366051.db2.gz KPJGIAYPUVJXLD-MRXNPFEDSA-N 1 0 383.945 2.985 20 0 GFADRO COc1cc(Br)cc(CNC(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000914151134 664380221 /nfs/dbraw/zinc/38/02/21/664380221.db2.gz WSXVBJAYICJUTC-LSDHHAIUSA-N 1 0 382.302 2.884 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)N1CCC[C@H]1c1ncc(Br)cn1 ZINC000914218749 664387149 /nfs/dbraw/zinc/38/71/49/664387149.db2.gz GFCNVWZIZLHLAQ-ILXRZTDVSA-N 1 0 394.317 2.712 20 0 GFADRO C[C@H](CNC(=O)NC1(c2ncc(Br)cn2)CCC1)C[NH+]1CCCC1 ZINC000914243781 664389652 /nfs/dbraw/zinc/38/96/52/664389652.db2.gz SMBLNZLLKANSAO-CYBMUJFWSA-N 1 0 396.333 2.649 20 0 GFADRO O=S(=O)(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1cscc1C(F)F ZINC000914263566 664392431 /nfs/dbraw/zinc/39/24/31/664392431.db2.gz UCNVRPIICFOMLI-ZIAGYGMSSA-N 1 0 394.509 2.732 20 0 GFADRO C[N@@H+]1CCC[C@@H](NC(=O)N2CCCC[C@@H]2c2ncc(Br)cn2)C1 ZINC000914315119 664398315 /nfs/dbraw/zinc/39/83/15/664398315.db2.gz LAKXWYTWKRRLRG-ZIAGYGMSSA-N 1 0 382.306 2.570 20 0 GFADRO COc1ccc([C@@H](O)C[NH2+]C[C@H](O)COc2cccc(Br)c2)cc1 ZINC000915227373 664424557 /nfs/dbraw/zinc/42/45/57/664424557.db2.gz SXGJBMKVDQZPTH-YJBOKZPZSA-N 1 0 396.281 2.521 20 0 GFADRO CC(C)n1cc(Br)c(C(=O)N2CCN(c3cc[nH+]cc3)[C@@H](C)C2)n1 ZINC000915257348 664425511 /nfs/dbraw/zinc/42/55/11/664425511.db2.gz JZWUQYSUMDGUMB-ZDUSSCGKSA-N 1 0 392.301 2.972 20 0 GFADRO O=C(Cc1ccc(Br)cc1)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000915620824 664435605 /nfs/dbraw/zinc/43/56/05/664435605.db2.gz AHYFTKPFGGTIQH-KRWDZBQOSA-N 1 0 381.314 2.751 20 0 GFADRO COc1ccc(Br)c(C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC000915625031 664435941 /nfs/dbraw/zinc/43/59/41/664435941.db2.gz HBYMPQPAPKXCSS-OAHLLOKOSA-N 1 0 397.313 2.831 20 0 GFADRO CC[NH+]1CCN([C@@H](C)CNC(=O)/C=C\c2ccc(C)cc2Br)CC1 ZINC000915630471 664435948 /nfs/dbraw/zinc/43/59/48/664435948.db2.gz PSABLGXAWIBIJN-PTZVLDCSSA-N 1 0 394.357 2.913 20 0 GFADRO CN(CC(=O)OCC[NH+]1CCCCC1)C(=O)c1ccc(Br)s1 ZINC000917537446 664485738 /nfs/dbraw/zinc/48/57/38/664485738.db2.gz ASMGFDQVCZBWLS-UHFFFAOYSA-N 1 0 389.315 2.612 20 0 GFADRO CC(C)(C)CCN1CCN(C(=O)c2ccc(Cl)c(S(C)(=O)=O)c2)CC1 ZINC000917877368 664491711 /nfs/dbraw/zinc/49/17/11/664491711.db2.gz KZOGPMVYXNIHLA-UHFFFAOYSA-N 1 0 386.945 2.938 20 0 GFADRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCC[C@H]1c1ncc(Br)cn1 ZINC000917897866 664492321 /nfs/dbraw/zinc/49/23/21/664492321.db2.gz FEEYGYRKAWRSSJ-CABCVRRESA-N 1 0 396.333 2.960 20 0 GFADRO COCCC[N@H+](C)CCNC(=O)N1CCC[C@H]1c1cncc(Br)c1 ZINC000920421912 664526170 /nfs/dbraw/zinc/52/61/70/664526170.db2.gz TZIASFKFISROLC-INIZCTEOSA-N 1 0 399.333 2.659 20 0 GFADRO C[NH+](C)CC[C@@H](NS(=O)(=O)c1cnc2ccsc2c1)c1cccnc1 ZINC000921481626 664550183 /nfs/dbraw/zinc/55/01/83/664550183.db2.gz PFVOKMLSUAURFW-OAHLLOKOSA-N 1 0 376.507 2.663 20 0 GFADRO O=C(NCC[NH2+][C@@H]1CC[C@H]2COCC[C@H]2C1)c1ccc(Br)cc1 ZINC000921576929 664554930 /nfs/dbraw/zinc/55/49/30/664554930.db2.gz CQFSCSHKQAEWID-YQQAZPJKSA-N 1 0 381.314 2.974 20 0 GFADRO CCn1c(C[NH2+][C@H](CO)CC(C)C)nc(Br)c1Br ZINC000921587540 664556285 /nfs/dbraw/zinc/55/62/85/664556285.db2.gz RDGHHLCAGLSPPG-VIFPVBQESA-N 1 0 383.128 2.925 20 0 GFADRO Brc1cccc(N2CC[C@@H](C[NH2+]Cc3cnc4n3CCOC4)C2)c1 ZINC000921591729 664556556 /nfs/dbraw/zinc/55/65/56/664556556.db2.gz GIEUBQGCHORXQJ-AWEZNQCLSA-N 1 0 391.313 2.792 20 0 GFADRO O=C(NCC[NH2+][C@@H]1CC[C@H]2COCC[C@H]2C1)c1cccc(Br)c1 ZINC000921739007 664565902 /nfs/dbraw/zinc/56/59/02/664565902.db2.gz LJRXERUXVVVQCO-JLJPHGGASA-N 1 0 381.314 2.974 20 0 GFADRO C[C@@H](NC(=O)NC1(c2ncc(Br)cn2)CCC1)C1=CC[N@H+](C)CC1 ZINC000921877960 664574528 /nfs/dbraw/zinc/57/45/28/664574528.db2.gz HZZSJBILRPJMSK-GFCCVEGCSA-N 1 0 394.317 2.568 20 0 GFADRO CCn1nnc(C)c1CNc1cc(Br)ccc1N(C)CC[NH+](C)C ZINC000922204778 664589976 /nfs/dbraw/zinc/58/99/76/664589976.db2.gz HVUQYAKHEJZCLT-UHFFFAOYSA-N 1 0 395.349 2.979 20 0 GFADRO O=c1[nH]c(=O)n(CC(F)(F)F)cc1C[NH2+]Cc1cc(Br)cs1 ZINC000922496614 664604145 /nfs/dbraw/zinc/60/41/45/664604145.db2.gz QGMZKGBKYSJOGO-UHFFFAOYSA-N 1 0 398.204 2.625 20 0 GFADRO CSC1(CNC(=O)NC[C@@H]2CCC[C@H](C(F)(F)F)O2)CC[NH+](C)CC1 ZINC000922530275 664606024 /nfs/dbraw/zinc/60/60/24/664606024.db2.gz WSJQLPULGDKOIQ-QWHCGFSZSA-N 1 0 383.480 2.613 20 0 GFADRO C[C@H](NC(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12)[C@@H]1OCCc2sccc21 ZINC000922597942 664608044 /nfs/dbraw/zinc/60/80/44/664608044.db2.gz UGAFHPLMMXMKNK-CRNXPOROSA-N 1 0 381.567 2.629 20 0 GFADRO FC(F)Oc1c(Br)cccc1C[NH2+]C[C@H]1C[C@@H]2COC[C@@H]2O1 ZINC000922724951 664612185 /nfs/dbraw/zinc/61/21/85/664612185.db2.gz FOKRRHIMRKDUED-WZRBSPASSA-N 1 0 378.213 2.944 20 0 GFADRO CC(C)(C)OC(=O)Nc1ncc(C[NH2+]C2C[C@H]3CC[C@@H](C2)S3(=O)=O)s1 ZINC000922849243 664616448 /nfs/dbraw/zinc/61/64/48/664616448.db2.gz HEMDISIMNQMWFM-VGPLMAKISA-N 1 0 387.527 2.688 20 0 GFADRO Brc1cc(C[NH2+]C[C@H]2CCN2C2CCOCC2)cc2c1OCO2 ZINC000922950631 664619695 /nfs/dbraw/zinc/61/96/95/664619695.db2.gz BAVPKCIDGDISFK-CQSZACIVSA-N 1 0 383.286 2.521 20 0 GFADRO Brc1cc2c(cc1CNC[C@H]1CC[N@@H+]1C1CCOCC1)OCO2 ZINC000922951289 664619788 /nfs/dbraw/zinc/61/97/88/664619788.db2.gz MPOXTJDPUBBTNO-CQSZACIVSA-N 1 0 383.286 2.521 20 0 GFADRO Brc1cc(C[NH2+]C[C@H]2CCN2C2CCOCC2)cc2c1OCCO2 ZINC000922950728 664619856 /nfs/dbraw/zinc/61/98/56/664619856.db2.gz PAXGNPOZWDNDEI-OAHLLOKOSA-N 1 0 397.313 2.563 20 0 GFADRO O[C@H]1C[C@H]([NH2+]Cc2cn(-c3cccc(Cl)c3Cl)nn2)C12CCOCC2 ZINC000923021612 664621356 /nfs/dbraw/zinc/62/13/56/664621356.db2.gz SVWBPEUKDLNIOD-GJZGRUSLSA-N 1 0 383.279 2.594 20 0 GFADRO C[NH2+]C[C@H]1CCCN(Cc2cc(OC)c(C(=O)OC)cc2Br)C1 ZINC000923281540 664627302 /nfs/dbraw/zinc/62/73/02/664627302.db2.gz HJSHLDFOMVSCMT-GFCCVEGCSA-N 1 0 385.302 2.676 20 0 GFADRO O=C(CN1CCC[C@H]([NH2+]CCO)C1)Nc1c(Cl)cc(Cl)cc1Cl ZINC000923402449 664629953 /nfs/dbraw/zinc/62/99/53/664629953.db2.gz JKEHGPGQMRIMBG-NSHDSACASA-N 1 0 380.703 2.632 20 0 GFADRO O[C@H](COc1ccc(Cl)cc1Br)CN1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000923417556 664630193 /nfs/dbraw/zinc/63/01/93/664630193.db2.gz ZIFRIQBKOWWTES-CFVMTHIKSA-N 1 0 389.721 2.669 20 0 GFADRO Cc1csc(C)c1S(=O)(=O)N(Cc1scnc1C)C[C@@H]1CC[NH2+]C1 ZINC000923648395 664634997 /nfs/dbraw/zinc/63/49/97/664634997.db2.gz YAOMMUZCKAEVQW-CQSZACIVSA-N 1 0 385.580 2.930 20 0 GFADRO Cc1ccc(Cl)c(S(=O)(=O)N2CCC3(CO[C@H](C[NH3+])C3)CC2)c1Cl ZINC000923687447 664635877 /nfs/dbraw/zinc/63/58/77/664635877.db2.gz XUDOODNKKAHAKC-LBPRGKRZSA-N 1 0 393.336 2.820 20 0 GFADRO [NH3+]CC[C@H]1CCN(S(=O)(=O)Cc2cc(Cl)ccc2Br)C1 ZINC000923698943 664636339 /nfs/dbraw/zinc/63/63/39/664636339.db2.gz IOHSKWSSJVUMDE-JTQLQIEISA-N 1 0 381.723 2.603 20 0 GFADRO C[C@@H]1CN(S(=O)(=O)c2c(Cl)cccc2Br)CC[C@@H]1C[NH3+] ZINC000923703483 664636449 /nfs/dbraw/zinc/63/64/49/664636449.db2.gz PVVCBWMMIRYKGD-NXEZZACHSA-N 1 0 381.723 2.708 20 0 GFADRO CN(C(=O)NCc1cnc(Cl)cn1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000923706431 664636593 /nfs/dbraw/zinc/63/65/93/664636593.db2.gz LXFNMVWGDQMHIJ-UHFFFAOYSA-N 1 0 379.814 2.688 20 0 GFADRO O=S(=O)(c1csc(-c2ccc(Cl)cc2)n1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923712855 664636714 /nfs/dbraw/zinc/63/67/14/664636714.db2.gz OJDDRGLSBYZDHC-QWHCGFSZSA-N 1 0 383.926 2.694 20 0 GFADRO C[C@H](OC(=O)COC1CC[NH+](C)CC1)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000923793687 664638112 /nfs/dbraw/zinc/63/81/12/664638112.db2.gz DLYVGUUTBQFZAY-NSHDSACASA-N 1 0 389.279 2.974 20 0 GFADRO Brc1ccn2cc(-c3noc([C@H]4C[N@@H+]5CCC[C@H]5CO4)n3)nc2c1 ZINC000924073521 664646172 /nfs/dbraw/zinc/64/61/72/664646172.db2.gz GMMQMTIWZXJMOR-WCQYABFASA-N 1 0 390.241 2.683 20 0 GFADRO CC(C)NS(=O)(=O)c1cccc(C[NH2+][C@H](C)C2(Br)CC2)c1 ZINC000924739634 664660581 /nfs/dbraw/zinc/66/05/81/664660581.db2.gz XVDBDUYUYUNITP-GFCCVEGCSA-N 1 0 375.332 2.779 20 0 GFADRO Cc1ccc(C[C@@H](C)[NH2+][C@H](C)c2ccc(S(=O)(=O)CC(N)=O)cc2)s1 ZINC000925098938 664666830 /nfs/dbraw/zinc/66/68/30/664666830.db2.gz ONTLLNNKWQRNCY-TZMCWYRMSA-N 1 0 380.535 2.597 20 0 GFADRO C[C@H]([NH2+][C@H]1CCN(c2cccc(Cl)c2)C1)C1CCN(S(C)(=O)=O)CC1 ZINC000925228029 664669052 /nfs/dbraw/zinc/66/90/52/664669052.db2.gz FPYLTYSYEWUTQF-YOEHRIQHSA-N 1 0 385.961 2.568 20 0 GFADRO COc1ccc(C(=O)NCC[NH2+][C@@H](C)c2cccc(Br)n2)cc1 ZINC000925317839 664670465 /nfs/dbraw/zinc/67/04/65/664670465.db2.gz CKMRQTOWRQQJQZ-LBPRGKRZSA-N 1 0 378.270 2.933 20 0 GFADRO CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H](C)c2cccc(Br)n2)ncn1 ZINC000925368673 664671179 /nfs/dbraw/zinc/67/11/79/664671179.db2.gz DOCAHRYXBLMMBD-QWHCGFSZSA-N 1 0 391.317 2.995 20 0 GFADRO CCN(CC)S(=O)(=O)c1ccc(CN[C@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)s1 ZINC000925585644 664673348 /nfs/dbraw/zinc/67/33/48/664673348.db2.gz IUGZPEPOANAIHA-PVAVHDDUSA-N 1 0 385.599 2.645 20 0 GFADRO C[C@H](N[C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32)c1ccc(Br)cc1OCCCO ZINC000925674860 664673959 /nfs/dbraw/zinc/67/39/59/664673959.db2.gz DEVWNADSOTUHEB-MXZKXVNZSA-N 1 0 395.341 2.857 20 0 GFADRO CCc1nnc2n1C[C@@H]([NH2+][C@@H]1CCCc3ncc(Br)cc31)CC2 ZINC000925783186 664674585 /nfs/dbraw/zinc/67/45/85/664674585.db2.gz MWFJQWZHUCMURH-SWLSCSKDSA-N 1 0 376.302 2.980 20 0 GFADRO Cc1cc(OCCC[C@H](C)[NH2+]CC[C@@H]2CNCCS2(=O)=O)ccc1Cl ZINC000925789166 664674709 /nfs/dbraw/zinc/67/47/09/664674709.db2.gz PVGKRVAAJQPZBN-DOTOQJQBSA-N 1 0 388.961 2.562 20 0 GFADRO CC[C@@H]1CN(S(C)(=O)=O)CC[C@@H]1[NH2+][C@@H](C)c1cccc(Br)n1 ZINC000925885187 664676736 /nfs/dbraw/zinc/67/67/36/664676736.db2.gz RUSZFRZJFNDFMG-SCRDCRAPSA-N 1 0 390.347 2.555 20 0 GFADRO Cc1csc(Sc2ccc(NC(=O)N3CCC[C@]([NH3+])(CO)C3)cc2)n1 ZINC000925974587 664678482 /nfs/dbraw/zinc/67/84/82/664678482.db2.gz ZDYHUQOCDDKNOC-QGZVFWFLSA-N 1 0 378.523 2.920 20 0 GFADRO COc1ccc(Br)c(NC(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)c1 ZINC000926001115 664678900 /nfs/dbraw/zinc/67/89/00/664678900.db2.gz NZOCSHGLIYCYHR-PSASIEDQSA-N 1 0 382.180 2.811 20 0 GFADRO COc1ccc(NC(=O)N2CCC3(CO[C@H](C[NH3+])C3)CC2)c(Br)c1 ZINC000926005322 664679063 /nfs/dbraw/zinc/67/90/63/664679063.db2.gz CPZQVUMAZAEYEG-ZDUSSCGKSA-N 1 0 398.301 2.819 20 0 GFADRO Cc1ccc(SCC(F)(F)F)c(NC(=O)N2CCC[C@]([NH3+])(CO)C2)c1 ZINC000926038210 664679687 /nfs/dbraw/zinc/67/96/87/664679687.db2.gz VVCHVDQOVFIZAD-OAHLLOKOSA-N 1 0 377.432 2.967 20 0 GFADRO COC(=O)c1cc(NC(=O)N2CC[C@@H](CC[NH3+])C2)c(Br)cc1F ZINC000926045186 664679766 /nfs/dbraw/zinc/67/97/66/664679766.db2.gz JHWDIMZFIRYBPY-SECBINFHSA-N 1 0 388.237 2.577 20 0 GFADRO O=C(Nc1ccc(Br)c(F)c1)N[C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000926046742 664679927 /nfs/dbraw/zinc/67/99/27/664679927.db2.gz OIICRTQXYMBAJA-GFCCVEGCSA-N 1 0 386.265 2.868 20 0 GFADRO CC1(C)CN(C(=O)Nc2cc(F)c(F)cc2I)C[C@H]1[NH3+] ZINC000926046961 664679928 /nfs/dbraw/zinc/67/99/28/664679928.db2.gz QZYMXUDDCUYYTD-LLVKDONJSA-N 1 0 395.191 2.770 20 0 GFADRO [NH3+]CC[C@H]1CCN(C(=O)Nc2ccc(F)cc2I)C1 ZINC000926055230 664680123 /nfs/dbraw/zinc/68/01/23/664680123.db2.gz RKRCGQNMQWIHTA-VIFPVBQESA-N 1 0 377.201 2.633 20 0 GFADRO Cn1cc(Br)cc(NC(=O)NCCCCCC2CC[NH2+]CC2)c1=O ZINC000926058779 664680297 /nfs/dbraw/zinc/68/02/97/664680297.db2.gz MGVMPYQSJBGTOF-UHFFFAOYSA-N 1 0 399.333 2.829 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)c(NC(=O)N[C@@H]2C[NH2+]C[C@H]2C)c1C ZINC000926080605 664681138 /nfs/dbraw/zinc/68/11/38/664681138.db2.gz CWQCNAFMUOPJKC-MEBBXXQBSA-N 1 0 392.301 2.981 20 0 GFADRO COc1cc(Br)cc(NC(=O)N2CCC3(CO[C@@H](C[NH3+])C3)CC2)c1 ZINC000926082858 664681297 /nfs/dbraw/zinc/68/12/97/664681297.db2.gz CMYWJGIRRMFTLB-OAHLLOKOSA-N 1 0 398.301 2.819 20 0 GFADRO COC(=O)c1cc(NC(=O)N2CC[C@@]3(C2)CCCC[NH2+]3)ccc1Br ZINC000926085336 664681313 /nfs/dbraw/zinc/68/13/13/664681313.db2.gz TXSBBRCZGUBGQM-QGZVFWFLSA-N 1 0 396.285 2.986 20 0 GFADRO CC1(C)CN(C(=O)Nc2ccnn2Cc2cccc(Br)c2)C[C@@H]1[NH3+] ZINC000926098715 664681749 /nfs/dbraw/zinc/68/17/49/664681749.db2.gz AHHYORQQSGHHGQ-AWEZNQCLSA-N 1 0 392.301 2.895 20 0 GFADRO [NH3+][C@]1(CO)CCCN(C(=O)Nc2cc(C(F)(F)F)ccc2Br)C1 ZINC000926106796 664681964 /nfs/dbraw/zinc/68/19/64/664681964.db2.gz XAKSYVFCWSIQDM-CYBMUJFWSA-N 1 0 396.207 2.785 20 0 GFADRO Cc1ncc(C(=O)N[C@@H]2C[C@@]3(C[N@@H+](C)[C@H]3C(C)C)C[C@H]2O)c(Cl)c1Cl ZINC000926170953 664683780 /nfs/dbraw/zinc/68/37/80/664683780.db2.gz SZKVJJZOGUANFC-GQGSAGHOSA-N 1 0 386.323 2.906 20 0 GFADRO O=C(Nc1ccc([C@@H]2C[NH2+]CCO2)cc1)N1CCS[C@H](C(F)(F)F)C1 ZINC000926176993 664683899 /nfs/dbraw/zinc/68/38/99/664683899.db2.gz CNPDWPPZCCQOKG-KBPBESRZSA-N 1 0 375.416 2.859 20 0 GFADRO Cc1cc(N2CC[C@H]([NH2+][C@@H](C)C[C@@H]3CCC(=O)N3)C2=O)ccc1Br ZINC000926185349 664684363 /nfs/dbraw/zinc/68/43/63/664684363.db2.gz WUOPOMIKRBBKEY-XEZPLFJOSA-N 1 0 394.313 2.510 20 0 GFADRO CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NC(=O)c1ccc(Br)s1)C2 ZINC000926190054 664684534 /nfs/dbraw/zinc/68/45/34/664684534.db2.gz QPUNVAYGBIEXQU-TWINXVHLSA-N 1 0 387.343 2.720 20 0 GFADRO CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NC(=O)c1ccc(Br)cc1)C2 ZINC000926192855 664684700 /nfs/dbraw/zinc/68/47/00/664684700.db2.gz KODRKWXCAOXASI-YFHUEUNASA-N 1 0 381.314 2.659 20 0 GFADRO [NH3+]CCN(Cc1cccc(Cl)c1)C(=O)N[C@H]([C@H]1CCOC1)C(F)(F)F ZINC000926209372 664684824 /nfs/dbraw/zinc/68/48/24/664684824.db2.gz MXVHUGFJQMUUIW-GXTWGEPZSA-N 1 0 379.810 2.778 20 0 GFADRO Cc1c(C)c(NC(=O)N2C[C@@H](C)[C@@H](C[NH3+])C2)ccc1I ZINC000926203990 664684850 /nfs/dbraw/zinc/68/48/50/664684850.db2.gz UMTYFCUFBUWHPV-SKDRFNHKSA-N 1 0 387.265 2.967 20 0 GFADRO C[C@@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000926304024 664687439 /nfs/dbraw/zinc/68/74/39/664687439.db2.gz ODJAENQFUPBNHF-MQIPJXDCSA-N 1 0 384.307 2.723 20 0 GFADRO COc1ccnc([C@@H](C)[NH2+]CCCNS(=O)(=O)c2ccccc2Cl)c1 ZINC000926354862 664688501 /nfs/dbraw/zinc/68/85/01/664688501.db2.gz WUSJHUWGODSKDY-CYBMUJFWSA-N 1 0 383.901 2.763 20 0 GFADRO O=S(=O)(NCC[NH2+][C@@H](C1CC1)[C@@H]1CCCOC1)c1ccc(F)cc1Cl ZINC000926369001 664688804 /nfs/dbraw/zinc/68/88/04/664688804.db2.gz HQIPCFFKVIIGDV-DYVFJYSZSA-N 1 0 390.908 2.552 20 0 GFADRO C[C@H]([NH2+][C@H](CN(C)C)c1ccc(Cl)cc1)C1CCN(S(C)(=O)=O)CC1 ZINC000926375952 664688986 /nfs/dbraw/zinc/68/89/86/664688986.db2.gz ZMWIGMMXVCPYQN-KBXCAEBGSA-N 1 0 387.977 2.592 20 0 GFADRO Cc1ccc([C@@H](Cc2ccccc2Cl)[NH2+]C[C@]2(O)CCS(=O)(=O)C2)o1 ZINC000926508042 664691004 /nfs/dbraw/zinc/69/10/04/664691004.db2.gz OLGZZJPWWLXFOT-SJLPKXTDSA-N 1 0 383.897 2.664 20 0 GFADRO Cc1c(Br)cccc1C[C@H](CO)C[NH2+][C@H]1C[C@H](C)n2ncnc21 ZINC000926544819 664692325 /nfs/dbraw/zinc/69/23/25/664692325.db2.gz QYJYVKAUJISRQM-RBOXIYTFSA-N 1 0 379.302 2.796 20 0 GFADRO C[C@H]([NH2+]CCC[C@@H]1CC1(Cl)Cl)c1ccc(S(=O)(=O)CC(N)=O)cc1 ZINC000926655995 664694689 /nfs/dbraw/zinc/69/46/89/664694689.db2.gz DUGXVMSIMWLKOZ-WCQYABFASA-N 1 0 393.336 2.570 20 0 GFADRO CCO[C@@H](CNC(=O)N(C)Cc1ccc(Br)s1)C[NH+](C)C ZINC000926822938 664697040 /nfs/dbraw/zinc/69/70/40/664697040.db2.gz QIHYMFVQVOTZHJ-NSHDSACASA-N 1 0 378.336 2.619 20 0 GFADRO CCO[C@@H](CNC(=O)N1CC[C@@H]1c1ccc(Br)cc1)C[NH+](C)C ZINC000926844644 664697873 /nfs/dbraw/zinc/69/78/73/664697873.db2.gz AHSAUCAYRYRMCB-JKSUJKDBSA-N 1 0 384.318 2.872 20 0 GFADRO C[C@@H]([NH2+]CCc1sccc1Br)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000926853893 664698078 /nfs/dbraw/zinc/69/80/78/664698078.db2.gz JJMAWQFIDHWNIC-SECBINFHSA-N 1 0 394.294 2.934 20 0 GFADRO CS(=O)(=O)C[C@H](O)C[NH2+][C@H](Cc1ccc(F)cc1)c1ccccc1Cl ZINC000927034757 664702680 /nfs/dbraw/zinc/70/26/80/664702680.db2.gz XIKTVMIMCNUJLI-CRAIPNDOSA-N 1 0 385.888 2.758 20 0 GFADRO C[NH+](C)CCCC(C)(C)NC(=O)NCC1(n2cc(Br)cn2)CC1 ZINC000927111229 664704318 /nfs/dbraw/zinc/70/43/18/664704318.db2.gz GGTQJHJXBWXHQG-UHFFFAOYSA-N 1 0 386.338 2.554 20 0 GFADRO CSc1nc2ccc(N3C(=O)N[C@H](C[NH+]4CCCCC4)C3=O)cc2s1 ZINC000927177598 664705422 /nfs/dbraw/zinc/70/54/22/664705422.db2.gz CNTLJWSVTGCHIN-CYBMUJFWSA-N 1 0 376.507 2.929 20 0 GFADRO O=C(NC[C@@H]1CC[N@@H+]1C1CCOCC1)N1Cc2ccc(Br)cc2C1 ZINC000927632556 664712792 /nfs/dbraw/zinc/71/27/92/664712792.db2.gz GXIUNVZIIOUJEP-KRWDZBQOSA-N 1 0 394.313 2.728 20 0 GFADRO CN(Cc1ccc(Br)cc1)C(=O)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000927644604 664713397 /nfs/dbraw/zinc/71/33/97/664713397.db2.gz JIASRRJSXNQUJW-QGZVFWFLSA-N 1 0 396.329 2.844 20 0 GFADRO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)C[C@H]1CC[NH3+] ZINC000927830668 664716389 /nfs/dbraw/zinc/71/63/89/664716389.db2.gz ZNZBMRGTSIKOSR-NXEZZACHSA-N 1 0 377.794 2.741 20 0 GFADRO [NH3+]CC[C@H]1CCN(C(=O)C(=O)Nc2ccc(-c3ccc(Cl)s3)nc2)C1 ZINC000927887544 664717263 /nfs/dbraw/zinc/71/72/63/664717263.db2.gz CHOWQXAXUZZVBG-NSHDSACASA-N 1 0 378.885 2.599 20 0 GFADRO C[C@@H]1CN(C(=O)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)CC[C@@H]1C[NH3+] ZINC000927894257 664717499 /nfs/dbraw/zinc/71/74/99/664717499.db2.gz SUVOYSXSKBCFGJ-NXEZZACHSA-N 1 0 377.794 2.741 20 0 GFADRO CC(C)c1cc(Br)ccc1NC(=O)C(=O)NC[C@@H]1CC[C@H]([NH3+])C1 ZINC000927927020 664717862 /nfs/dbraw/zinc/71/78/62/664717862.db2.gz LCJZVFDOPDKEBV-YPMHNXCESA-N 1 0 382.302 2.755 20 0 GFADRO [NH3+][C@@H]1CC[C@H](CNC(=O)C(=O)Nc2cccc(Cl)c2SCC(F)F)C1 ZINC000927926498 664717887 /nfs/dbraw/zinc/71/78/87/664717887.db2.gz FUIPAIZNJXWDPT-VHSXEESVSA-N 1 0 391.871 2.879 20 0 GFADRO O=C(Cc1cn2cc(Cl)cc(Cl)c2n1)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000928089964 664722547 /nfs/dbraw/zinc/72/25/47/664722547.db2.gz GUXVEXXNXTZRGI-HUUCEWRRSA-N 1 0 399.347 2.880 20 0 GFADRO Cc1cc(C(=O)N[C@H]2CCC[N@@H+]3CCSC[C@H]23)c(C)n1CC(F)(F)F ZINC000928096124 664722693 /nfs/dbraw/zinc/72/26/93/664722693.db2.gz MDCJXMILPHYKQB-LSDHHAIUSA-N 1 0 375.460 2.977 20 0 GFADRO C[N@@H+]1CC[C@@H]1CNC(=O)c1cccc(NC(=O)c2ccc(Br)o2)c1 ZINC000928564891 664735140 /nfs/dbraw/zinc/73/51/40/664735140.db2.gz GSKKTDHEAWZGAI-CYBMUJFWSA-N 1 0 392.253 2.728 20 0 GFADRO Cc1cc(COc2ccc(C(=O)NC[C@@H]3CC[N@H+]3C)cc2Br)on1 ZINC000928563188 664735159 /nfs/dbraw/zinc/73/51/59/664735159.db2.gz OMCPRYWHKYFHPX-ZDUSSCGKSA-N 1 0 394.269 2.758 20 0 GFADRO C[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(NC(=O)c2ccc(Br)o2)cc1 ZINC000928567430 664735301 /nfs/dbraw/zinc/73/53/01/664735301.db2.gz WMAZOKRDYXWGAV-CYBMUJFWSA-N 1 0 392.253 2.728 20 0 GFADRO C[N@H+](CC(=O)N1CCCC[C@@H]1c1ncc(Br)cn1)[C@@H]1CCSC1 ZINC000928945367 664744027 /nfs/dbraw/zinc/74/40/27/664744027.db2.gz MRLIORCNJNGYGT-ZIAGYGMSSA-N 1 0 399.358 2.730 20 0 GFADRO Cc1cc(I)ccc1NC(=O)N1CC[C@@H]2C[N@@H+](C)C[C@@H]21 ZINC000929147485 664747072 /nfs/dbraw/zinc/74/70/72/664747072.db2.gz OCUNZJINUOLUFH-RISCZKNCSA-N 1 0 385.249 2.767 20 0 GFADRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)C1 ZINC000929305820 664749858 /nfs/dbraw/zinc/74/98/58/664749858.db2.gz RYOXSYNMXLSNNP-CYBMUJFWSA-N 1 0 375.441 2.629 20 0 GFADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2cnc(CCC(F)(F)F)s2)C1 ZINC000929472150 664753086 /nfs/dbraw/zinc/75/30/86/664753086.db2.gz NHLWZSABWLNXJL-LBPRGKRZSA-N 1 0 379.448 2.725 20 0 GFADRO CC(=O)NCCCCC[NH+]1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000929469261 664753119 /nfs/dbraw/zinc/75/31/19/664753119.db2.gz LOXMEXBKCLJMJQ-UHFFFAOYSA-N 1 0 396.329 2.513 20 0 GFADRO C[C@](O)(C[NH2+]C[C@@H](c1cccs1)N1CCOCC1)C(F)(F)C(F)(F)F ZINC000929530826 664753809 /nfs/dbraw/zinc/75/38/09/664753809.db2.gz OJBWPMUVLQJPKJ-AAEUAGOBSA-N 1 0 388.402 2.660 20 0 GFADRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)Nc3ccc(F)cc3Br)CC2)C1 ZINC000929738761 664756866 /nfs/dbraw/zinc/75/68/66/664756866.db2.gz XOBZHNCMBAKYAJ-CQSZACIVSA-N 1 0 399.308 2.832 20 0 GFADRO C[N@H+](C[C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F)CC(C)(C)S(C)(=O)=O ZINC000930139526 664763136 /nfs/dbraw/zinc/76/31/36/664763136.db2.gz PFIXZRJTMFEMQO-DZGCQCFKSA-N 1 0 379.444 2.924 20 0 GFADRO COC(=O)c1cncc(CN(C)[C@@H](CO)c2cccc(Br)c2)c1 ZINC000930149438 664763485 /nfs/dbraw/zinc/76/34/85/664763485.db2.gz QMQHOWNOYSZOCA-INIZCTEOSA-N 1 0 379.254 2.796 20 0 GFADRO CN1CC[NH+](CCCCNC(=O)C/C=C\c2ccc(Br)cc2)CC1 ZINC000930203990 664764424 /nfs/dbraw/zinc/76/44/24/664764424.db2.gz HBXLJJMDWMNWKD-PLNGDYQASA-N 1 0 394.357 2.996 20 0 GFADRO Cc1cc([C@@H]2CCC[N@@H+]2C[C@@H](O)C[C@@]2(O)CCOC2)ccc1Br ZINC000930303568 664766450 /nfs/dbraw/zinc/76/64/50/664766450.db2.gz CFSXECSJLORHNJ-SZMVWBNQSA-N 1 0 384.314 2.797 20 0 GFADRO O=C(Nc1cc(F)ccc1Br)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000930351032 664767815 /nfs/dbraw/zinc/76/78/15/664767815.db2.gz MWEKIDWDUQWBSZ-HUUCEWRRSA-N 1 0 386.265 2.651 20 0 GFADRO COC(=O)[C@@H]1C[N@H+](Cc2ncccc2Br)C[C@H]1c1ccc(O)cc1 ZINC000930592880 664773984 /nfs/dbraw/zinc/77/39/84/664773984.db2.gz JTLJSIOCCOAKMH-LSDHHAIUSA-N 1 0 391.265 2.938 20 0 GFADRO Cc1cccc(CN2CC[NH+]([C@@H]3CCNC(=O)CC3)CC2)c1Br ZINC000930657075 664775336 /nfs/dbraw/zinc/77/53/36/664775336.db2.gz LVTQFJYTVKLKAU-INIZCTEOSA-N 1 0 380.330 2.544 20 0 GFADRO COC(=O)c1ccc(Br)c(CN2CCC[C@@H](n3ccnn3)C2)c1 ZINC000930760686 664777671 /nfs/dbraw/zinc/77/76/71/664777671.db2.gz VVPSRELJDGMASH-CQSZACIVSA-N 1 0 379.258 2.664 20 0 GFADRO COc1cc(NC(=O)N2CCC([NH2+]C3CCC3)CC2)ncc1Br ZINC000930789156 664778294 /nfs/dbraw/zinc/77/82/94/664778294.db2.gz NODQPPIRSHHORN-UHFFFAOYSA-N 1 0 383.290 2.991 20 0 GFADRO COC(=O)c1cc(Br)c(C[N@@H+]2CC[C@@H]3OCC[C@@H]3C2)cc1OC ZINC000930813520 664778888 /nfs/dbraw/zinc/77/88/88/664778888.db2.gz HAKFKIFKXDJCJE-ABAIWWIYSA-N 1 0 384.270 2.855 20 0 GFADRO CCO[C@H](CNC(=O)Nc1cnc(Cl)c(Br)c1)C[NH+](C)C ZINC000930826802 664779227 /nfs/dbraw/zinc/77/92/27/664779227.db2.gz SEZDAJXSCZTNJI-SNVBAGLBSA-N 1 0 379.686 2.586 20 0 GFADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)c1ccc(C=O)cn1 ZINC000930980022 664782345 /nfs/dbraw/zinc/78/23/45/664782345.db2.gz HWAQXJQGBORYTK-UHFFFAOYSA-N 1 0 390.281 2.861 20 0 GFADRO COC(=O)c1cccc(NC(=O)N2C[C@@H]3C[N@H+](C)C[C@]3(C)C2)c1Br ZINC000931086669 664785011 /nfs/dbraw/zinc/78/50/11/664785011.db2.gz INGYAYCLRWSUOD-APPDUMDISA-N 1 0 396.285 2.651 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CN1C[C@]2(C)C[N@@H+](C)C[C@]2(C)C1 ZINC000931306497 664791118 /nfs/dbraw/zinc/79/11/18/664791118.db2.gz HFIUJTIKVMSVHT-HDICACEKSA-N 1 0 380.330 2.970 20 0 GFADRO COC(=O)c1cc(NC(=O)N2CC[C@@H]3C[N@H+](C)C[C@@H]32)c(C)cc1Br ZINC000931405730 664793995 /nfs/dbraw/zinc/79/39/95/664793995.db2.gz FVKVDVHRZOBHRB-ABAIWWIYSA-N 1 0 396.285 2.712 20 0 GFADRO COC(=O)c1cc(NC(=O)N2CC[C@H]3C[N@H+](C)C[C@H]32)c(C)cc1Br ZINC000931405737 664794010 /nfs/dbraw/zinc/79/40/10/664794010.db2.gz FVKVDVHRZOBHRB-XHDPSFHLSA-N 1 0 396.285 2.712 20 0 GFADRO Cn1c2cc(Br)ccc2nc1CN1CC[NH+](CCCCCO)CC1 ZINC000931495533 664796498 /nfs/dbraw/zinc/79/64/98/664796498.db2.gz BMLJATMGUBYSGT-UHFFFAOYSA-N 1 0 395.345 2.616 20 0 GFADRO Cc1ncc(Br)cc1NC(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000931642846 664801262 /nfs/dbraw/zinc/80/12/62/664801262.db2.gz DMVGUOAQGMQLKE-TZMCWYRMSA-N 1 0 385.331 2.854 20 0 GFADRO CN(CC[NH+]1CCCC1)C(=O)c1cc2ccc(Br)cc2c(=O)o1 ZINC000931896953 664807064 /nfs/dbraw/zinc/80/70/64/664807064.db2.gz IQSRMJMASIJVFR-UHFFFAOYSA-N 1 0 379.254 2.723 20 0 GFADRO Cc1ccc(Br)c2[nH]c(C(=O)N[C@@H](C)CN3CC[NH+](C)CC3)cc21 ZINC000932185560 664812348 /nfs/dbraw/zinc/81/23/48/664812348.db2.gz DYXCGTWYHXDUET-ZDUSSCGKSA-N 1 0 393.329 2.605 20 0 GFADRO Cc1c(Br)ccc(F)c1C(=O)N(C)CCCN1CC[NH+](C)CC1 ZINC000932474452 664822882 /nfs/dbraw/zinc/82/28/82/664822882.db2.gz KCSKEQJIQKERLT-UHFFFAOYSA-N 1 0 386.309 2.606 20 0 GFADRO Cc1c(I)ccc(NC(=O)NC[C@@H]2CC[N@@H+](C)C2)c1C ZINC000932722926 664833334 /nfs/dbraw/zinc/83/33/34/664833334.db2.gz IASSWXVUIALEIX-LBPRGKRZSA-N 1 0 387.265 2.981 20 0 GFADRO C[C@H](CC[NH+](C)C)NC(=O)c1cc(Br)cnc1Br ZINC000932723418 664833492 /nfs/dbraw/zinc/83/34/92/664833492.db2.gz GHCHBQWHMDCPAQ-MRVPVSSYSA-N 1 0 379.096 2.677 20 0 GFADRO CN(C(=O)c1ncc(Br)cn1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000932761869 664835009 /nfs/dbraw/zinc/83/50/09/664835009.db2.gz FSUVTPXFNABMLS-UHFFFAOYSA-N 1 0 389.297 2.976 20 0 GFADRO O=C(CC[NH+]1CCC2(CCNC(=O)O2)CC1)Nc1ccc(Br)cc1 ZINC000932763668 664835448 /nfs/dbraw/zinc/83/54/48/664835448.db2.gz NYOMIVVPAPWNPL-UHFFFAOYSA-N 1 0 396.285 2.742 20 0 GFADRO O[C@@]1(c2ccc(Br)cc2)CCC[N@H+](C[C@H]2CCc3ncnn32)C1 ZINC000932815105 664839981 /nfs/dbraw/zinc/83/99/81/664839981.db2.gz LIRMIOXMGXODDU-WBVHZDCISA-N 1 0 377.286 2.512 20 0 GFADRO O=c1cc(C[NH+]2CCC(O)(C3CCC3)CC2)nc2ccc(Br)cn12 ZINC000932819741 664840395 /nfs/dbraw/zinc/84/03/95/664840395.db2.gz FYUPMYYIYOFIAP-UHFFFAOYSA-N 1 0 392.297 2.584 20 0 GFADRO O=C1NC[C@H](O)CC12CC[NH+](Cc1cc(Br)ccc1Cl)CC2 ZINC000932840713 664841479 /nfs/dbraw/zinc/84/14/79/664841479.db2.gz GFCLLQYZCBBHBY-CYBMUJFWSA-N 1 0 387.705 2.566 20 0 GFADRO O=C1NC[C@@H](O)CC12CC[NH+](CC/C=C/c1ccc(Br)cc1)CC2 ZINC000932842094 664841608 /nfs/dbraw/zinc/84/16/08/664841608.db2.gz RGIAUMYZZJZMIK-DUXHTMCSSA-N 1 0 393.325 2.815 20 0 GFADRO COc1ncc(NC(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)c(C)c1Br ZINC000932956045 664845190 /nfs/dbraw/zinc/84/51/90/664845190.db2.gz CVZJTAHTKYVDAX-WCQYABFASA-N 1 0 383.290 2.719 20 0 GFADRO CN(CCCC[NH+](C)C)C(=O)C[C@@H]1C(=O)Nc2c1cccc2Br ZINC000933214005 664852922 /nfs/dbraw/zinc/85/29/22/664852922.db2.gz MYRFOQAQVLEPAR-ZDUSSCGKSA-N 1 0 382.302 2.675 20 0 GFADRO OC[C@@H]([NH2+]C[C@H](O)c1cc(Br)no1)c1ccccc1C(F)(F)F ZINC000933243286 664853440 /nfs/dbraw/zinc/85/34/40/664853440.db2.gz OGAXAERLABZDDG-MNOVXSKESA-N 1 0 395.175 2.813 20 0 GFADRO NC(=O)c1ccc(CC[NH2+]C2(c3ncc(Br)cn3)CCC2)cc1 ZINC000933320909 664859021 /nfs/dbraw/zinc/85/90/21/664859021.db2.gz VBKVXFZKOAPACR-UHFFFAOYSA-N 1 0 375.270 2.550 20 0 GFADRO O=C(c1nc(Br)c2ccccn21)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000933330885 664859385 /nfs/dbraw/zinc/85/93/85/664859385.db2.gz AZQIEACUCGPQSR-ZDUSSCGKSA-N 1 0 377.286 2.655 20 0 GFADRO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2ccc(Br)nc2N)cc1 ZINC000933434094 664863792 /nfs/dbraw/zinc/86/37/92/664863792.db2.gz YIVBCYCLZGJVSA-KRWDZBQOSA-N 1 0 380.286 2.518 20 0 GFADRO C[C@](CO)(Cc1ccc(Br)cc1)[NH2+]C[C@@H]1CC2(CO1)CCOCC2 ZINC000933440255 664864439 /nfs/dbraw/zinc/86/44/39/664864439.db2.gz KANMCKVZKJXSSH-ZWKOTPCHSA-N 1 0 398.341 2.918 20 0 GFADRO C[C@@](CO)(Cc1ccc(Br)cc1)[NH2+]Cc1nnc2n1CCCCC2 ZINC000933442838 664864829 /nfs/dbraw/zinc/86/48/29/664864829.db2.gz VFBWVYHSKMJTMM-SFHVURJKSA-N 1 0 393.329 2.850 20 0 GFADRO C[C@@H](NC(=O)C[C@@H]1C(=O)Nc2ccc(Br)cc21)C(C)(C)C[NH+](C)C ZINC000933464344 664865810 /nfs/dbraw/zinc/86/58/10/664865810.db2.gz NCSPHOHFIYMSNP-RISCZKNCSA-N 1 0 396.329 2.967 20 0 GFADRO C[C@H](C(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(I)cc1 ZINC000933490668 664866912 /nfs/dbraw/zinc/86/69/12/664866912.db2.gz CQHPMGCFLXTUAM-HUBLWGQQSA-N 1 0 386.277 2.994 20 0 GFADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccc3c(Br)cnn3c2)C1 ZINC000933777978 664877895 /nfs/dbraw/zinc/87/78/95/664877895.db2.gz DQHYMBZNBVWUBM-ZDUSSCGKSA-N 1 0 379.302 2.901 20 0 GFADRO C[C@@H]1CCN(C(=O)c2ncc(Br)cn2)CC[N@@H+]1Cc1ccccc1 ZINC000933821521 664878976 /nfs/dbraw/zinc/87/89/76/664878976.db2.gz NRUUGCLQWKJODZ-CQSZACIVSA-N 1 0 389.297 2.976 20 0 GFADRO CCO[C@H](CNC(=O)Nc1ccnn1Cc1ccc(Cl)s1)C[NH+](C)C ZINC000933930600 664882079 /nfs/dbraw/zinc/88/20/79/664882079.db2.gz AWSDWOBPQZILLZ-GFCCVEGCSA-N 1 0 385.921 2.735 20 0 GFADRO COCCOc1ccc(NC(=O)N(C)CCC[NH+](C)C)cc1Br ZINC000933979988 664883544 /nfs/dbraw/zinc/88/35/44/664883544.db2.gz DHGPMGYCJKAGGJ-UHFFFAOYSA-N 1 0 388.306 2.890 20 0 GFADRO COCCOc1ccc(NC(=O)N2CCC[N@H+](C)CC2)cc1Br ZINC000933980257 664883732 /nfs/dbraw/zinc/88/37/32/664883732.db2.gz GUXHBBFMQKRWDO-UHFFFAOYSA-N 1 0 386.290 2.644 20 0 GFADRO C[NH+](C)[C@@]1(CNC(=O)c2cc(Br)cnc2C2CC2)CCSC1 ZINC000934076642 664889316 /nfs/dbraw/zinc/88/93/16/664889316.db2.gz AFJWESKQUKLREH-MRXNPFEDSA-N 1 0 384.343 2.889 20 0 GFADRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1ncc(Br)cn1 ZINC000934184482 664891884 /nfs/dbraw/zinc/89/18/84/664891884.db2.gz WWMSNHLINXCFAI-XJKSGUPXSA-N 1 0 389.297 2.880 20 0 GFADRO C[C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000934260659 664895039 /nfs/dbraw/zinc/89/50/39/664895039.db2.gz BTEXNRNYKPYXIR-CSMYWGQOSA-N 1 0 386.323 2.851 20 0 GFADRO COCC(C)(C)[NH+]1CCN(C(=O)Nc2cncc(Br)c2C)CC1 ZINC000934270754 664896545 /nfs/dbraw/zinc/89/65/45/664896545.db2.gz YGLMREDQNPDQDL-UHFFFAOYSA-N 1 0 385.306 2.727 20 0 GFADRO Cc1c(Br)cncc1NC(=O)N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000934269795 664896742 /nfs/dbraw/zinc/89/67/42/664896742.db2.gz ASRXTIQAQLLNNC-CQSZACIVSA-N 1 0 397.317 2.917 20 0 GFADRO Cc1ccc(Br)c(C(=O)NCCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC000934308691 664898433 /nfs/dbraw/zinc/89/84/33/664898433.db2.gz MUJQPPCXBOMQHM-OKILXGFUSA-N 1 0 384.318 2.772 20 0 GFADRO CN(Cc1cccs1)C(=O)C[NH2+][C@@](C)(CO)c1cccc(Br)c1 ZINC000934499121 664909475 /nfs/dbraw/zinc/90/94/75/664909475.db2.gz OCULSOLQARJWRT-KRWDZBQOSA-N 1 0 397.338 2.966 20 0 GFADRO CC[C@H](Cc1ccccc1Br)NC(=O)COC1CC[NH+](C)CC1 ZINC000934670636 664914581 /nfs/dbraw/zinc/91/45/81/664914581.db2.gz QXQNSJJEKQYNBS-OAHLLOKOSA-N 1 0 383.330 2.997 20 0 GFADRO CN(C)[S@](C)(=O)=NCC1CC[NH+](CCCCC(=O)OC(C)(C)C)CC1 ZINC000934748398 664918115 /nfs/dbraw/zinc/91/81/15/664918115.db2.gz DSTAKUXISOGDBY-RUZDIDTESA-N 1 0 375.579 2.785 20 0 GFADRO CC1(C)C[C@@H]([NH2+][C@@H](CO)c2ccccc2I)CCO1 ZINC000934826781 664924642 /nfs/dbraw/zinc/92/46/42/664924642.db2.gz NOKKXHOKTYIFEQ-FZMZJTMJSA-N 1 0 375.250 2.872 20 0 GFADRO OC[C@@H]([NH2+]CC1(O)CCCCC1)c1ccccc1I ZINC000934826541 664924784 /nfs/dbraw/zinc/92/47/84/664924784.db2.gz MXJJZADLDBFNKU-CQSZACIVSA-N 1 0 375.250 2.609 20 0 GFADRO Cc1nccn1CCCC[NH2+][C@H](CO)c1ccccc1I ZINC000934827141 664924992 /nfs/dbraw/zinc/92/49/92/664924992.db2.gz OCUUASVLUUTVFR-MRXNPFEDSA-N 1 0 399.276 2.900 20 0 GFADRO CN(C(=O)COC1CC[NH+](C)CC1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000935477373 664964100 /nfs/dbraw/zinc/96/41/00/664964100.db2.gz KSOJCKBWTYSHTL-AEFFLSMTSA-N 1 0 387.307 2.521 20 0 GFADRO CC(C)c1ncc(Br)c(C(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)n1 ZINC000935654750 664978629 /nfs/dbraw/zinc/97/86/29/664978629.db2.gz HRNHRXKRUKBWPK-ZDUSSCGKSA-N 1 0 399.333 2.593 20 0 GFADRO Cc1[nH]nc(Br)c1C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000935732856 664984791 /nfs/dbraw/zinc/98/47/91/664984791.db2.gz IDLAHLBXCKPAEI-CQSZACIVSA-N 1 0 377.286 2.733 20 0 GFADRO C[NH+]1CCC(OCC(=O)N[C@@H](c2cncc(Br)c2)C2CC2)CC1 ZINC000935881609 664994989 /nfs/dbraw/zinc/99/49/89/664994989.db2.gz VZYXLGFJJXAAPS-QGZVFWFLSA-N 1 0 382.302 2.522 20 0 GFADRO CN(CCC[N@H+](C)Cc1ccco1)C(=O)c1cc(=O)[nH]cc1Br ZINC000935962118 665001451 /nfs/dbraw/zinc/00/14/51/665001451.db2.gz BLFSEDHGSVVUDH-UHFFFAOYSA-N 1 0 382.258 2.737 20 0 GFADRO Cc1ccc(Br)c2cc(C(=O)N3CC[C@@H]([N@@H+]4CC[C@H](O)C4)C3)[nH]c21 ZINC000935981321 665002389 /nfs/dbraw/zinc/00/23/89/665002389.db2.gz QAYYKRDPZQJOLS-OLZOCXBDSA-N 1 0 392.297 2.520 20 0 GFADRO C[NH+](C)C[C@H](NC(=O)c1cc(=O)[nH]cc1Br)c1ccc(F)cc1 ZINC000935985456 665002689 /nfs/dbraw/zinc/00/26/89/665002689.db2.gz PPLSVAZZNHPYKW-AWEZNQCLSA-N 1 0 382.233 2.722 20 0 GFADRO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)C[C@H]1C(=O)Nc2c1cccc2Br ZINC000936044295 665005496 /nfs/dbraw/zinc/00/54/96/665005496.db2.gz OSDFDHPYBBIBFM-DGCLKSJQSA-N 1 0 382.302 2.720 20 0 GFADRO C[C@@H]1[C@H](C(=O)NC[C@H]2CC[C@@H](NC(=O)c3ccsc3Cl)C2)CC[N@@H+]1C ZINC000981467265 665018222 /nfs/dbraw/zinc/01/82/22/665018222.db2.gz TZZMLEMUNMIJQJ-XJFOESAGSA-N 1 0 383.945 2.756 20 0 GFADRO Cc1csc(Cl)c1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C2 ZINC000996537486 665032571 /nfs/dbraw/zinc/03/25/71/665032571.db2.gz GSJJJOCBIMBVRL-MQYQWHSLSA-N 1 0 381.929 2.523 20 0 GFADRO C[C@H]1CCC[N@@H+]1CC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1sccc1Cl)C2 ZINC000997303561 665035458 /nfs/dbraw/zinc/03/54/58/665035458.db2.gz YMYXOKGCNNOMLN-NEBZKDRISA-N 1 0 381.929 2.748 20 0 GFADRO C[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccsc1Cl ZINC000998074482 665038721 /nfs/dbraw/zinc/03/87/21/665038721.db2.gz CRMDAMKODVGRED-UQOMUDLDSA-N 1 0 381.929 2.748 20 0 GFADRO C[C@H]1CCC[N@@H+]1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1sccc1Cl ZINC001000461107 665046643 /nfs/dbraw/zinc/04/66/43/665046643.db2.gz UUEGBTAMSLMKNM-NEBZKDRISA-N 1 0 381.929 2.748 20 0 GFADRO C[C@@H]1CC[N@H+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)c2cscc2Cl)C1 ZINC001000486224 665046845 /nfs/dbraw/zinc/04/68/45/665046845.db2.gz UDQSTCZRIIDZOB-MPTQWLOMSA-N 1 0 381.929 2.605 20 0 GFADRO C[NH+](C)[C@@H](C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(Cl)cs1)C2)C1CC1 ZINC001002615791 665055958 /nfs/dbraw/zinc/05/59/58/665055958.db2.gz VPCOBIVKFMQLOG-HGTKMLMNSA-N 1 0 381.929 2.603 20 0 GFADRO C[N@@H+]1CC[C@H](CC(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2sccc2Cl)C3)C1 ZINC001003324690 665059325 /nfs/dbraw/zinc/05/93/25/665059325.db2.gz AORDZZIBZWEWSW-GBOPCIDUSA-N 1 0 381.929 2.605 20 0 GFADRO C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2csc(Cl)c2)C1 ZINC001004359473 665064117 /nfs/dbraw/zinc/06/41/17/665064117.db2.gz IFBYJOOJGQSNHV-NGFQHRJXSA-N 1 0 381.929 2.605 20 0 GFADRO C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cc(Cl)cs1 ZINC001006279904 665069652 /nfs/dbraw/zinc/06/96/52/665069652.db2.gz KBRZHYJGJUSDBU-NGFQHRJXSA-N 1 0 381.929 2.748 20 0 GFADRO COc1ccc(C(=O)NCCC[NH2+]Cc2cccnc2)c(Br)c1 ZINC000120867090 677398015 /nfs/dbraw/zinc/39/80/15/677398015.db2.gz RAAAAOYKPGBIGI-UHFFFAOYSA-N 1 0 378.270 2.762 20 0 GFADRO CC(C)(C)OC(=O)NC(C)(C)C[NH2+]CCCn1cc(Br)cn1 ZINC000381892905 677406446 /nfs/dbraw/zinc/40/64/46/677406446.db2.gz FFJIRCBYPGEGMF-UHFFFAOYSA-N 1 0 375.311 2.929 20 0 GFADRO CC(=O)Nc1ccc(C[NH2+]C[C@H](O)COc2cccc(Br)c2)cc1 ZINC000579583048 677673423 /nfs/dbraw/zinc/67/34/23/677673423.db2.gz ZOOLWUOEMPUKGE-KRWDZBQOSA-N 1 0 393.281 2.937 20 0 GFADRO CC[C@@H]1C[C@H]1C(=O)N1C[C@@H]([NH2+]Cc2ccc(Cl)s2)[C@@H](n2ccnn2)C1 ZINC001070277843 677675935 /nfs/dbraw/zinc/67/59/35/677675935.db2.gz ACNBQPRFRRTMDP-NGFQHRJXSA-N 1 0 379.917 2.581 20 0 GFADRO CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccc(Cl)s2)C[C@H]1c1cncn1C ZINC001070682070 677676000 /nfs/dbraw/zinc/67/60/00/677676000.db2.gz IOIBMGSVRKTBHX-AAVRWANBSA-N 1 0 378.929 2.843 20 0 GFADRO FC(F)(c1ccnc(Cl)c1Cl)N1CCCO[C@@]2(C[NH2+]CCOC2)C1 ZINC001164421032 718913785 /nfs/dbraw/zinc/91/37/85/718913785.db2.gz NXWQEALGHIMFJY-AWEZNQCLSA-N 1 0 382.238 2.519 20 0 GFADRO CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@@H]2N1C(F)(F)c1cc(Cl)nc(Cl)c1 ZINC001164614479 719012316 /nfs/dbraw/zinc/01/23/16/719012316.db2.gz FLNANNKTEBPGFL-MIMYLULJSA-N 1 0 380.222 2.663 20 0 GFADRO CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@H]2N1C(F)(F)c1ccc2ncnc(Cl)c2c1 ZINC001164616547 719014420 /nfs/dbraw/zinc/01/44/20/719014420.db2.gz LAIXZNZAGUHAOK-WKPIXPDZSA-N 1 0 396.825 2.558 20 0 GFADRO CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@@H]2N1C(F)(F)C1(c2ccc(Cl)nc2)CC1 ZINC001164617151 719019639 /nfs/dbraw/zinc/01/96/39/719019639.db2.gz MNKVICIDYGIKRY-XBFCOCLRSA-N 1 0 385.842 2.585 20 0 GFADRO CCOC(=O)C1CC[NH+](C2CCN(c3cnc4ccc(OC)cc4n3)CC2)CC1 ZINC001164618576 719026435 /nfs/dbraw/zinc/02/64/35/719026435.db2.gz ZAFPOKKTUNCIAA-UHFFFAOYSA-N 1 0 398.507 2.882 20 0 GFADRO COC(OC)c1c(CO)ccnc1N1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001164624217 719089933 /nfs/dbraw/zinc/08/99/33/719089933.db2.gz DMNYDWAILRIUKV-AZUAARDMSA-N 1 0 397.519 2.966 20 0 GFADRO CCS(=O)(=O)c1ccnc(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1 ZINC001164628820 719114200 /nfs/dbraw/zinc/11/42/00/719114200.db2.gz OSBROQFTYSUURF-UYAOXDASSA-N 1 0 385.533 2.976 20 0 GFADRO C[N@@H+]1CCO[C@H]2CN(c3ccc(-c4ccc(C5OCCCO5)cc4)cn3)C[C@H]21 ZINC001164673845 719420775 /nfs/dbraw/zinc/42/07/75/719420775.db2.gz UYIUGCXVQUWBQY-UXHICEINSA-N 1 0 381.476 2.703 20 0 GFADRO Cc1sc2nc(-c3cccnc3)nc(N3C[C@H]4OCC[N@@H+](C)[C@@H]4C3)c2c1C ZINC001164669251 719440893 /nfs/dbraw/zinc/44/08/93/719440893.db2.gz LKGWGFJHOUBZKS-HZPDHXFCSA-N 1 0 381.505 2.889 20 0 GFADRO CC(C)N(C)Cc1nn(-c2nc(Cl)cc(-c3ccncc3)n2)c2c1CC[NH2+]C2 ZINC001164684535 719650041 /nfs/dbraw/zinc/65/00/41/719650041.db2.gz XVEHVLCOLSDRBI-UHFFFAOYSA-N 1 0 397.914 2.864 20 0 GFADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1nc(C)nc3c4ccccc4oc31)CC2 ZINC001164686803 719727627 /nfs/dbraw/zinc/72/76/27/719727627.db2.gz UFZVQNXJCKYAAL-UHFFFAOYSA-N 1 0 393.491 2.865 20 0 GFADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1c(Cl)nc(Cl)nc1C1CC1)CC2 ZINC001164690215 719755504 /nfs/dbraw/zinc/75/55/04/719755504.db2.gz VFHMKNLITPVQKM-UHFFFAOYSA-N 1 0 398.338 2.842 20 0 GFADRO Cc1nc(C[N@H+]2CCCC23CCN(c2ncc4ncn(C)c4n2)CC3)cs1 ZINC001164691986 719808054 /nfs/dbraw/zinc/80/80/54/719808054.db2.gz DQIIAZNYSXQXHB-UHFFFAOYSA-N 1 0 383.525 2.763 20 0 GFADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2nccc4c2C(=O)NC4)CC3)cs1 ZINC001164692588 719809263 /nfs/dbraw/zinc/80/92/63/719809263.db2.gz KDZFTJGPTFQBGT-UHFFFAOYSA-N 1 0 383.521 2.725 20 0 GFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cc(Cl)ncc1C(=O)OC)C2 ZINC001164814839 720071502 /nfs/dbraw/zinc/07/15/02/720071502.db2.gz XDAAJRUKWRDRDS-QRWLVFNGSA-N 1 0 393.915 2.706 20 0 GFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cc(Cl)cc(C(=O)OC)n1)C2 ZINC001164814277 720087050 /nfs/dbraw/zinc/08/70/50/720087050.db2.gz WKPMYCKKFHVIMH-FOIQADDNSA-N 1 0 393.915 2.706 20 0 GFADRO CCc1cnc(N2CCC3(C[C@@H](COC)[N@H+](Cc4ccccn4)C3)CC2)nc1 ZINC001164711651 720095003 /nfs/dbraw/zinc/09/50/03/720095003.db2.gz SDJJCVRVHXMYDA-FQEVSTJZSA-N 1 0 381.524 2.942 20 0 GFADRO CCOc1nc(Cl)cc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COC)n1 ZINC001164809215 720097617 /nfs/dbraw/zinc/09/76/17/720097617.db2.gz IYIDDIHUTSEDFA-HNAYVOBHSA-N 1 0 380.920 2.713 20 0 GFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(C)nc(Cl)c1OC)C2 ZINC001164815404 720115038 /nfs/dbraw/zinc/11/50/38/720115038.db2.gz VFTFOMQRFNWBCX-KXBFYZLASA-N 1 0 380.920 2.632 20 0 GFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(Cl)nc3ncsc31)C2 ZINC001164816202 720118533 /nfs/dbraw/zinc/11/85/33/720118533.db2.gz YJRXNGATTULYMS-FZKQIMNGSA-N 1 0 393.944 2.924 20 0 GFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1nccnc1Cl)C2 ZINC001164813652 720155616 /nfs/dbraw/zinc/15/56/16/720155616.db2.gz DBGVRTQGJCLTOB-RHSMWYFYSA-N 1 0 386.874 2.860 20 0 GFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cc(-c3nc(C)no3)ccn1)C2 ZINC001164819036 720174185 /nfs/dbraw/zinc/17/41/85/720174185.db2.gz VPELYFYOWTYXNT-WIYYLYMNSA-N 1 0 383.496 2.625 20 0 GFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cc(-c3ccncc3)ncn1)C2 ZINC001164817500 720174256 /nfs/dbraw/zinc/17/42/56/720174256.db2.gz PQFZSEQCDGTULY-DENIHFKCSA-N 1 0 379.508 2.723 20 0 GFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ccc(-c3nc(C)no3)cn1)C2 ZINC001164813023 720174308 /nfs/dbraw/zinc/17/43/08/720174308.db2.gz BUOQFZDHONGOCJ-RXVVDRJESA-N 1 0 383.496 2.625 20 0 GFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ccc(-c3ccccn3)nn1)C2 ZINC001164819858 720180613 /nfs/dbraw/zinc/18/06/13/720180613.db2.gz YRBLVLKSDFXMQC-XMSQKQJNSA-N 1 0 379.508 2.723 20 0 GFADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2ncnc3ccsc32)CC1 ZINC001164823914 720290734 /nfs/dbraw/zinc/29/07/34/720290734.db2.gz QRHHFZQKJDFOKQ-IRXDYDNUSA-N 1 0 385.537 2.603 20 0 GFADRO Cc1cnc(N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c(Cl)c1 ZINC001164827926 720296397 /nfs/dbraw/zinc/29/63/97/720296397.db2.gz YOAXYKFAVJLDGX-ROUUACIJSA-N 1 0 376.932 2.955 20 0 GFADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2ncnc3c(F)cccc32)CC1 ZINC001164824595 720313649 /nfs/dbraw/zinc/31/36/49/720313649.db2.gz SAERYMCJSPSDBO-RTBURBONSA-N 1 0 397.498 2.680 20 0 GFADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2nncc3ccc(F)cc32)CC1 ZINC001164828461 720322160 /nfs/dbraw/zinc/32/21/60/720322160.db2.gz JQBWTBZNANRDPQ-PMACEKPBSA-N 1 0 397.498 2.680 20 0 GFADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2ccc(C(C)(C)C)nn2)CC1 ZINC001164821569 720340291 /nfs/dbraw/zinc/34/02/91/720340291.db2.gz BFIJGJKLSKVURB-ROUUACIJSA-N 1 0 385.556 2.686 20 0 GFADRO COC(=O)c1c[nH]c2nc(N3CC[C@@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)ccc12 ZINC001164730354 720363437 /nfs/dbraw/zinc/36/34/37/720363437.db2.gz XCUVSQPTLHUXKH-MSOLQXFVSA-N 1 0 377.448 2.598 20 0 GFADRO CC(C)(C)OC(=O)c1ccnc(N2CC[C@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)n1 ZINC001164724248 720398259 /nfs/dbraw/zinc/39/82/59/720398259.db2.gz IOAXOBGSULRQKK-ROUUACIJSA-N 1 0 381.480 2.680 20 0 GFADRO CCN(C)c1ccnc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)n1 ZINC001164833252 720505731 /nfs/dbraw/zinc/50/57/31/720505731.db2.gz CGOIUGJEFGKELR-GBESFXJTSA-N 1 0 383.544 2.507 20 0 GFADRO COc1nc(Cl)cc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)n1 ZINC001164836071 720510589 /nfs/dbraw/zinc/51/05/89/720510589.db2.gz MCQXVOYCEYZNIH-ARFHVFGLSA-N 1 0 390.919 2.713 20 0 GFADRO CCOC(=O)c1c(C)cc(Cl)nc1N1Cc2nccn2C[C@H](C[NH+](C)C)C1 ZINC001164732767 720511228 /nfs/dbraw/zinc/51/12/28/720511228.db2.gz WYZADGQMBVKWIB-AWEZNQCLSA-N 1 0 391.903 2.615 20 0 GFADRO COc1cnnc(Cl)c1N1CC[C@@H]2[C@@H](C[C@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164833903 720540068 /nfs/dbraw/zinc/54/00/68/720540068.db2.gz CCVPEQNUTBPKKN-ARFHVFGLSA-N 1 0 390.919 2.713 20 0 GFADRO CC(C)[N@H+]1[C@@H]2CCN(c3ncc4cccnc4n3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164838535 720551246 /nfs/dbraw/zinc/55/12/46/720551246.db2.gz OJLYGRHLIGSFPU-GBESFXJTSA-N 1 0 377.496 2.599 20 0 GFADRO Cc1ccc2c(c1)nc(Cl)nc2N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001164737615 720702610 /nfs/dbraw/zinc/70/26/10/720702610.db2.gz GOIMWFVIMLEZMM-GJZGRUSLSA-N 1 0 396.882 2.724 20 0 GFADRO FC(F)(c1cnc(Cl)cn1)N1CCCn2cnc(C[NH2+]C3CCC3)c2C1 ZINC001164837454 720736388 /nfs/dbraw/zinc/73/63/88/720736388.db2.gz KHMBZFLZMSWKKF-UHFFFAOYSA-N 1 0 382.846 2.924 20 0 GFADRO Cc1nc(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)c(Cl)cc1Cl ZINC001164737778 720746182 /nfs/dbraw/zinc/74/61/82/720746182.db2.gz CRMFAXHUDZBEAK-OLZOCXBDSA-N 1 0 380.279 2.829 20 0 GFADRO CC(C)c1ccc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nn1 ZINC001164737438 720823380 /nfs/dbraw/zinc/82/33/80/720823380.db2.gz BFDQRSSRIJSCRL-CMKODMSKSA-N 1 0 381.528 2.571 20 0 GFADRO c1ncn(C[C@@H]2C[C@@H]3CN(c4ccc5c(n4)CCCC5)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164738008 720823802 /nfs/dbraw/zinc/82/38/02/720823802.db2.gz DIGPCEOZLWCVGH-RZUBCFFCSA-N 1 0 392.551 2.931 20 0 GFADRO COC[C@@]12CCCO[C@H]1CCN(c1cccc(OCC[NH+]3CCCC3)n1)C2 ZINC001164846004 720827129 /nfs/dbraw/zinc/82/71/29/720827129.db2.gz CIRTXKCGQIVQIP-RXVVDRJESA-N 1 0 375.513 2.578 20 0 GFADRO CSc1cccnc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164743608 720833644 /nfs/dbraw/zinc/83/36/44/720833644.db2.gz JPRSXNFSJYZZLW-RCCFBDPRSA-N 1 0 384.553 2.774 20 0 GFADRO COCC[N@@H+]1CCO[C@H]2CN(c3ccc(-c4cc(C)ccc4C)nn3)CC[C@@H]2C1 ZINC001164863662 720880089 /nfs/dbraw/zinc/88/00/89/720880089.db2.gz TYJZDPTZAMCAPO-KNQAVFIVSA-N 1 0 396.535 2.934 20 0 GFADRO COCC[N@@H+]1CCO[C@H]2CN(c3nc(C(C)C)nc(Cl)c3C)CC[C@@H]2C1 ZINC001164855718 720886607 /nfs/dbraw/zinc/88/66/07/720886607.db2.gz HRRVVXVPUDUGGP-CVEARBPZSA-N 1 0 382.936 2.735 20 0 GFADRO COCC[N@@H+]1CCO[C@@H]2CN(c3nc(C4CCC4)nc(Cl)c3C)CC[C@H]2C1 ZINC001164865082 720888153 /nfs/dbraw/zinc/88/81/53/720888153.db2.gz YEBNFWWIQYNJSI-DLBZAZTESA-N 1 0 394.947 2.879 20 0 GFADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1nc(Cl)nc3c1COC3)[C@H]2C ZINC001164859925 720944739 /nfs/dbraw/zinc/94/47/39/720944739.db2.gz ONGOAIXBRPVTOL-LBPRGKRZSA-N 1 0 376.892 2.778 20 0 GFADRO CC(C)c1nc(N(C)C)nc(N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@@H]2C)n1 ZINC001164856290 720974156 /nfs/dbraw/zinc/97/41/56/720974156.db2.gz ASVPCWVPYSRAPJ-HNNXBMFYSA-N 1 0 386.548 2.679 20 0 GFADRO CNC(=O)c1nc(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@@H]2C)ccc1Cl ZINC001164863439 720975347 /nfs/dbraw/zinc/97/53/47/720975347.db2.gz VMFYNQKZYYMGEX-ZDUSSCGKSA-N 1 0 390.919 2.713 20 0 GFADRO FC(F)(c1cc(Cl)ncn1)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164869417 721040247 /nfs/dbraw/zinc/04/02/47/721040247.db2.gz SSHQJKKIFZTTPG-GJZGRUSLSA-N 1 0 395.841 2.550 20 0 GFADRO CSc1nc(Cl)cc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164871972 721047081 /nfs/dbraw/zinc/04/70/81/721047081.db2.gz ZYUAUIUVRMSDLH-HUUCEWRRSA-N 1 0 391.928 2.727 20 0 GFADRO Clc1nc2cnccc2c(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164871932 721070984 /nfs/dbraw/zinc/07/09/84/721070984.db2.gz ZRKFEGNSBPMERX-CVEARBPZSA-N 1 0 396.882 2.553 20 0 GFADRO Fc1cccc2c1ncnc2N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164866663 721078644 /nfs/dbraw/zinc/07/86/44/721078644.db2.gz UPXMXOUCLMSIDX-IAGOWNOFSA-N 1 0 379.439 2.644 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4ccc(C(=O)OC(C)(C)C)cn4)C[C@@H]3C2)cn1 ZINC001164764764 721129125 /nfs/dbraw/zinc/12/91/25/721129125.db2.gz HWMZQBSZMIYSBV-OALUTQOASA-N 1 0 397.523 2.729 20 0 GFADRO CSc1ncc(Cl)nc1N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164871564 721133204 /nfs/dbraw/zinc/13/32/04/721133204.db2.gz FIMOCSUNVIYCSE-LSDHHAIUSA-N 1 0 391.928 2.727 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4nncc5cc(Cl)ccc54)C[C@H]3C2)cn1 ZINC001164773616 721142424 /nfs/dbraw/zinc/14/24/24/721142424.db2.gz YNEHUUOUQXAERN-NVXWUHKLSA-N 1 0 382.899 2.975 20 0 GFADRO COc1ccc2ccc(N3C[C@@H]4C[N@@H+](Cc5cnn(C)c5)CC[C@@H]4C3)nc2c1 ZINC001164771734 721157125 /nfs/dbraw/zinc/15/71/25/721157125.db2.gz STURUFWHXCSRRG-MOPGFXCFSA-N 1 0 377.492 2.935 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4cc5c(Cl)ccnc5cn4)C[C@H]3C2)cn1 ZINC001164773800 721157790 /nfs/dbraw/zinc/15/77/90/721157790.db2.gz ZAEHINMXIYHKLN-HZPDHXFCSA-N 1 0 382.899 2.975 20 0 GFADRO Cc1cc2ccncc2nc1N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164877041 721171702 /nfs/dbraw/zinc/17/17/02/721171702.db2.gz OFPNQHARIVKOSE-PMACEKPBSA-N 1 0 375.476 2.813 20 0 GFADRO CSc1cnc(Cl)c(N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@H]3C2)n1 ZINC001164770104 721185139 /nfs/dbraw/zinc/18/51/39/721185139.db2.gz NBUMZPRWDPOHDQ-KBPBESRZSA-N 1 0 378.933 2.544 20 0 GFADRO COc1cc(Cl)cnc1N1CC[C@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2 ZINC001164892886 721389089 /nfs/dbraw/zinc/38/90/89/721389089.db2.gz UFQJCBGYXDPLMH-XLIONFOSSA-N 1 0 394.947 2.509 20 0 GFADRO Cc1ccnc(N2CC[C@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)c1Cl ZINC001164885843 721405074 /nfs/dbraw/zinc/40/50/74/721405074.db2.gz HQKJHMZJCNYRHN-XLIONFOSSA-N 1 0 378.948 2.809 20 0 GFADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4ncnc5cccc(F)c54)C3)O2)CC1 ZINC001164884692 721417179 /nfs/dbraw/zinc/41/71/79/721417179.db2.gz FJXVCVDXJHXOMB-VGOFRKELSA-N 1 0 399.514 2.534 20 0 GFADRO CCOC(=O)c1c[nH]c2cc(N3C[C@H]4CN(Cc5nccs5)C[C@H]4C3)[nH+]cc21 ZINC001164781273 721423952 /nfs/dbraw/zinc/42/39/52/721423952.db2.gz DAKGAKGMAOVWON-OKILXGFUSA-N 1 0 397.504 2.764 20 0 GFADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3O[C@H](C(=O)NCC4CC4)C[C@@H]32)nc1 ZINC001164893271 721459485 /nfs/dbraw/zinc/45/94/85/721459485.db2.gz YXXSVRRXJXTHDH-ANULTFPQSA-N 1 0 398.551 2.891 20 0 GFADRO CCc1ccc(N2CCC3(C[C@@H](COCC4CC4)[N@H+](CCOC)C3)CC2)nn1 ZINC001164788613 721463135 /nfs/dbraw/zinc/46/31/35/721463135.db2.gz USBWNPWBFBUERB-FQEVSTJZSA-N 1 0 388.556 2.773 20 0 GFADRO Cn1cnc2c1ncnc2N1CCC2(CC([N@H+](C)Cc3ccncc3)C2)CC1 ZINC001164792765 721491225 /nfs/dbraw/zinc/49/12/25/721491225.db2.gz LQBUOZOXKOZYQF-UHFFFAOYSA-N 1 0 377.496 2.639 20 0 GFADRO Cc1cc2ccccc2nc1N1CCn2cc(CN3CC[NH+](C)CC3)nc2C1 ZINC001164794954 721510928 /nfs/dbraw/zinc/51/09/28/721510928.db2.gz ZCLJSDAPSGLRAX-UHFFFAOYSA-N 1 0 376.508 2.507 20 0 GFADRO Fc1cccc(O[C@@H]2C[C@@H]3CN(c4nc(Cl)nc(Cl)n4)CC[N@@H+]3C2)c1 ZINC001164897903 721523366 /nfs/dbraw/zinc/52/33/66/721523366.db2.gz GQZJNRXQEVVQMW-DGCLKSJQSA-N 1 0 384.242 2.659 20 0 GFADRO Cc1c[nH]c2ncnc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@@H]43)c12 ZINC001164794402 721524256 /nfs/dbraw/zinc/52/42/56/721524256.db2.gz CVQBVANBSKPOHM-JENIJYKNSA-N 1 0 378.480 2.530 20 0 GFADRO COC(=O)c1cnc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)c(C)c1 ZINC001164899112 721524512 /nfs/dbraw/zinc/52/45/12/721524512.db2.gz KDXUIUJTRLFVQT-HKUYNNGSSA-N 1 0 385.439 2.658 20 0 GFADRO Fc1cccc(O[C@H]2C[C@H]3CN(c4nc(Cl)nc5c4COC5)CC[N@@H+]3C2)c1 ZINC001164901046 721524703 /nfs/dbraw/zinc/52/47/03/721524703.db2.gz WEUGUKYFLJQNCG-ZFWWWQNUSA-N 1 0 390.846 2.641 20 0 GFADRO Fc1cccc(O[C@@H]2C[C@H]3CN(c4cc(-c5ncc[nH]5)ccn4)CC[N@@H+]3C2)c1 ZINC001164908127 721546937 /nfs/dbraw/zinc/54/69/37/721546937.db2.gz PBVNHSCULRBTGO-PKOBYXMFSA-N 1 0 379.439 2.953 20 0 GFADRO Nc1cc(F)c(Cl)nc1N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164909339 721547152 /nfs/dbraw/zinc/54/71/52/721547152.db2.gz ROORHBBMENRNTH-OCCSQVGLSA-N 1 0 380.826 2.937 20 0 GFADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cc(Cl)nc3nc[nH]c32)[C@@H]2CCCO[C@H]12 ZINC001164808399 721549743 /nfs/dbraw/zinc/54/97/43/721549743.db2.gz RWMHWYZXRHPYJB-OGWOLHLISA-N 1 0 398.898 2.875 20 0 GFADRO Fc1cccc(O[C@H]2C[C@H]3CN(c4cc(-c5nnco5)ccn4)CC[N@@H+]3C2)c1 ZINC001164907559 721558756 /nfs/dbraw/zinc/55/87/56/721558756.db2.gz OLKQQUMPTBFNGB-WMZOPIPTSA-N 1 0 381.411 2.613 20 0 GFADRO Cc1cnc2c(ccnc2N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)n1 ZINC001164909209 721561350 /nfs/dbraw/zinc/56/13/50/721561350.db2.gz SXYGWKDFHBHOCG-SJLPKXTDSA-N 1 0 379.439 2.814 20 0 GFADRO CN(C)c1ccc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)nn1 ZINC001164908257 721585488 /nfs/dbraw/zinc/58/54/88/721585488.db2.gz YESKOSWQVUXBQP-LJQANCHMSA-N 1 0 388.466 2.675 20 0 GFADRO CSc1ccc2ncnc(N3CCCC34CC[NH+](CC(=O)N(C)C)CC4)c2c1 ZINC001165012554 721748639 /nfs/dbraw/zinc/74/86/39/721748639.db2.gz KNTFSAHXCLFUOH-UHFFFAOYSA-N 1 0 399.564 2.875 20 0 GFADRO COc1cc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)nc(OC)n1 ZINC001165025082 721806164 /nfs/dbraw/zinc/80/61/64/721806164.db2.gz NMQPVDQANDPEKR-JQHSSLGASA-N 1 0 383.496 2.626 20 0 GFADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc4c(nn3)CCOC4)C[C@@H]21 ZINC001165025730 721829180 /nfs/dbraw/zinc/82/91/80/721829180.db2.gz NOCPZCIMUDCANH-LKUPVBHCSA-N 1 0 379.508 2.681 20 0 GFADRO COc1ccc2nc(Cl)nc(N3CC[C@H]4[C@@H]3CC[N@@H+]4CCN(C)C)c2c1 ZINC001164922883 721847451 /nfs/dbraw/zinc/84/74/51/721847451.db2.gz SBGAXDKTAUZKEB-IRXDYDNUSA-N 1 0 375.904 2.506 20 0 GFADRO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2C(F)(F)c1cc(C2CC2)nnc1Cl ZINC001164931483 721881080 /nfs/dbraw/zinc/88/10/80/721881080.db2.gz FROUEGFTERXYMG-JKSUJKDBSA-N 1 0 385.890 2.767 20 0 GFADRO CC[C@H]1C(=O)N(C)c2cnc(N3CCC[C@@H]([NH+](C)C)C3)nc2N1C1CCCC1 ZINC001165040312 721891076 /nfs/dbraw/zinc/89/10/76/721891076.db2.gz VJNFEEUHIQNVGD-SJORKVTESA-N 1 0 386.544 2.511 20 0 GFADRO CN(C)C(=O)c1cc2cnc(N3CCC[C@@H]([NH+](C)C)C3)nc2n1C1CCCC1 ZINC001165039121 721891537 /nfs/dbraw/zinc/89/15/37/721891537.db2.gz MIIWQQWSHBYAMH-QGZVFWFLSA-N 1 0 384.528 2.779 20 0 GFADRO Cc1cc2nc(N(C)CC3CC[NH+](C)CC3)nc(N3CCOCC3)c2s1 ZINC001165041478 721935069 /nfs/dbraw/zinc/93/50/69/721935069.db2.gz YVLSYIIAWCQTGH-UHFFFAOYSA-N 1 0 375.542 2.614 20 0 GFADRO CC(C)NS(=O)(=O)c1ccc(N2CCCC[C@@H]2CC[NH+]2CCCC2)nc1 ZINC001165050140 721975345 /nfs/dbraw/zinc/97/53/45/721975345.db2.gz VAUAFWUWFRESQG-QGZVFWFLSA-N 1 0 380.558 2.613 20 0 GFADRO COC[C@@]12COC[C@H]1CN(c1ccc3c(n1)CC[N@@H+](Cc1ccccc1)C3)C2 ZINC001164951731 721992658 /nfs/dbraw/zinc/99/26/58/721992658.db2.gz NEMAUVBOEMAENL-OFNKIYASSA-N 1 0 379.504 2.739 20 0 GFADRO CCOc1ccc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)nc1 ZINC001164962328 722054887 /nfs/dbraw/zinc/05/48/87/722054887.db2.gz CXXZZARAKZXWQE-UHFFFAOYSA-N 1 0 382.508 2.994 20 0 GFADRO CCCc1ccnc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)n1 ZINC001164960671 722058164 /nfs/dbraw/zinc/05/81/64/722058164.db2.gz GQXXGCNXRCTHNY-UHFFFAOYSA-N 1 0 381.524 2.943 20 0 GFADRO O=C(NC1CCC1)[C@@H]1C[C@H]2CN(c3cccc(OCC[NH+]4CCCC4)n3)C[C@H]2C1 ZINC001164977618 722085221 /nfs/dbraw/zinc/08/52/21/722085221.db2.gz XHOHCPJVPNTXDN-REPLKXPHSA-N 1 0 398.551 2.687 20 0 GFADRO c1cncc(C[N@@H+]2CCO[C@H]3CN(c4ccc5ncccc5n4)CC[C@@H]3C2)c1 ZINC001164972428 722112356 /nfs/dbraw/zinc/11/23/56/722112356.db2.gz FGCNISBSSPCILM-NQIIRXRSSA-N 1 0 375.476 2.752 20 0 GFADRO c1coc(-c2ccc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)nn2)c1 ZINC001164985079 722147132 /nfs/dbraw/zinc/14/71/32/722147132.db2.gz ZEFGPIAEELNCJI-RXVVDRJESA-N 1 0 391.475 2.859 20 0 GFADRO NC(=O)c1ncc(Cl)nc1N1CCC[C@]2(CC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001164993621 722197182 /nfs/dbraw/zinc/19/71/82/722197182.db2.gz FTGHBPKXXCGCET-IBGZPJMESA-N 1 0 389.862 2.613 20 0 GFADRO O=C1COc2nc(N3CCC[C@]4(CC[N@H+]4Cc4cccc(F)c4)C3)ccc2N1 ZINC001164993687 722199705 /nfs/dbraw/zinc/19/97/05/722199705.db2.gz HQJDWNOWLRXSSZ-NRFANRHFSA-N 1 0 382.439 2.797 20 0 GFADRO CN(C)C(=O)c1cncc(N2CCC[C@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)n1 ZINC001164994826 722209252 /nfs/dbraw/zinc/20/92/52/722209252.db2.gz ILKCFHRLSFVLBI-NRFANRHFSA-N 1 0 383.471 2.562 20 0 GFADRO O=C1CSc2ncnc(N3CCC[C@@]4(CC[N@H+]4Cc4cccc(F)c4)C3)c2N1 ZINC001164996122 722212904 /nfs/dbraw/zinc/21/29/04/722212904.db2.gz LOGMJAUKEKCVDC-HXUWFJFHSA-N 1 0 399.495 2.905 20 0 GFADRO NC(=O)c1cc(N2CCC[C@@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)nc(C2CC2)n1 ZINC001164997969 722213519 /nfs/dbraw/zinc/21/35/19/722213519.db2.gz TZIIWSIUBXHDIA-JOCHJYFZSA-N 1 0 395.482 2.837 20 0 GFADRO C[NH+](C)CCOCc1ncn2c1CN(C(F)(F)c1ccc(Cl)nc1)CCC2 ZINC001165002140 722250304 /nfs/dbraw/zinc/25/03/04/722250304.db2.gz XJCBRVRTEBUQBF-UHFFFAOYSA-N 1 0 399.873 2.965 20 0 GFADRO C[NH+](C)CCOCc1ncn2c1CN(c1ccc(COC3CCC3)cn1)CCC2 ZINC001165004884 722257587 /nfs/dbraw/zinc/25/75/87/722257587.db2.gz WIVGAWNMOIMTEJ-UHFFFAOYSA-N 1 0 399.539 2.836 20 0 GFADRO CCSc1ccnc(N2CCCn3cnc(COCC[NH+](C)C)c3C2)c1 ZINC001165004855 722257613 /nfs/dbraw/zinc/25/76/13/722257613.db2.gz WDBQTCOINGXJSV-UHFFFAOYSA-N 1 0 375.542 2.879 20 0 GFADRO C[N@H+]1CC=C(CNc2ncnc3ccc(I)cc32)CC1 ZINC000539392866 532729781 /nfs/dbraw/zinc/72/97/81/532729781.db2.gz ILKDEPDYWSTJLI-UHFFFAOYSA-N 1 0 380.233 2.908 20 0 GFADRO Brc1cncc(Br)c1CNCC[N@H+]1CC=CCC1 ZINC000394622448 563530456 /nfs/dbraw/zinc/53/04/56/563530456.db2.gz KOUAFSVCLPDUNW-UHFFFAOYSA-N 1 0 375.108 2.958 20 0 GFADRO Cc1ccccc1[C@H](CN1CCOCC1)[NH2+]CC(=O)N1CCc2sccc2C1 ZINC000359868580 206265416 /nfs/dbraw/zinc/26/54/16/206265416.db2.gz KJVIZWACAZWOSU-FQEVSTJZSA-N 1 0 399.560 2.604 20 0 GFADRO Cc1nn(C)c(N2CCOCC2)c1C[N@H+]1CCC[C@H]1Cn1ccnc1C(C)C ZINC000359872007 206265761 /nfs/dbraw/zinc/26/57/61/206265761.db2.gz KQPGAOYKOKPJMB-SFHVURJKSA-N 1 0 386.544 2.550 20 0 GFADRO Cc1occc1C(=O)N1CCC(NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC000359926480 206269984 /nfs/dbraw/zinc/26/99/84/206269984.db2.gz GQBNHNAEIKWZMQ-IBGZPJMESA-N 1 0 375.513 2.819 20 0 GFADRO Cc1cc(C)n(C[C@H]2CCCCN2C(=O)c2ccnc(OCC[NH+](C)C)c2)n1 ZINC000359906067 206269681 /nfs/dbraw/zinc/26/96/81/206269681.db2.gz YBZMNDNVDNWQPJ-LJQANCHMSA-N 1 0 385.512 2.530 20 0 GFADRO NC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000004195118 206507216 /nfs/dbraw/zinc/50/72/16/206507216.db2.gz HUTVDGKYVGRUNM-IBGZPJMESA-N 1 0 386.540 2.571 20 0 GFADRO Cc1ccccc1[C@H](CC(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(N)=O ZINC000097152554 208340891 /nfs/dbraw/zinc/34/08/91/208340891.db2.gz UTYKUECNDFHOLZ-FCEWJHQRSA-N 1 0 388.556 2.967 20 0 GFADRO CCN(C[C@H]1CCC[N@@H+]1CC)C(=O)c1ccc(Cl)c(N2CCNC2=O)c1 ZINC000225400977 208949750 /nfs/dbraw/zinc/94/97/50/208949750.db2.gz PZIFPVXUPFODPV-OAHLLOKOSA-N 1 0 378.904 2.816 20 0 GFADRO CS(=O)(=O)N1CCC[C@@H]([NH2+]Cc2ccc(Br)c(Cl)c2)C1 ZINC000400152313 563534167 /nfs/dbraw/zinc/53/41/67/563534167.db2.gz RBQFFMSUHHMXDN-LLVKDONJSA-N 1 0 381.723 2.616 20 0 GFADRO C[C@H]1CCCN(S(=O)(=O)c2ccc(Br)c(F)c2)[C@@H]1CC[NH3+] ZINC000405275087 563538485 /nfs/dbraw/zinc/53/84/85/563538485.db2.gz WRFHWKHPKXMCQA-IINYFYTJSA-N 1 0 379.295 2.726 20 0 GFADRO C[C@@H](CNS(=O)(=O)c1ccc(Cl)c(Br)c1)[N@H+](C)C1CC1 ZINC000235123457 553067994 /nfs/dbraw/zinc/06/79/94/553067994.db2.gz HPLLBUHNILACKW-VIFPVBQESA-N 1 0 381.723 2.864 20 0 GFADRO Cc1cc(S(=O)(=O)N[C@H](C)C[NH+]2CCCCC2)ccc1Br ZINC000040435914 551134451 /nfs/dbraw/zinc/13/44/51/551134451.db2.gz YPLKIGGWGZIWRO-CYBMUJFWSA-N 1 0 375.332 2.910 20 0 GFADRO CC[NH+](CC)[C@H](C)CNC(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000041925797 551136811 /nfs/dbraw/zinc/13/68/11/551136811.db2.gz NOGXKXMXQBTCDL-KGLIPLIRSA-N 1 0 396.329 2.649 20 0 GFADRO CC[NH+](CC)[C@H](C)CNC(=O)NCC(=O)Nc1cc(Cl)ccc1Cl ZINC000043139031 551141019 /nfs/dbraw/zinc/14/10/19/551141019.db2.gz HJHLJKSEVLPDLP-LLVKDONJSA-N 1 0 375.300 2.961 20 0 GFADRO O=S(=O)(c1sccc1Br)N1CCC([NH+]2CCCC2)CC1 ZINC000048445391 551156442 /nfs/dbraw/zinc/15/64/42/551156442.db2.gz OELDVFMSPJJWPD-UHFFFAOYSA-N 1 0 379.345 2.760 20 0 GFADRO C[C@H]1CCCC[N@@H+]1CCCNC(=O)C(=O)Nc1ccc(Br)cc1 ZINC000049131510 551158160 /nfs/dbraw/zinc/15/81/60/551158160.db2.gz GMAKNOHBHJFGPA-ZDUSSCGKSA-N 1 0 382.302 2.768 20 0 GFADRO CC(C)C[NH+]1CCN(CC(=O)N[C@H](C)c2ccc(Br)cc2)CC1 ZINC000049970177 551160236 /nfs/dbraw/zinc/16/02/36/551160236.db2.gz VYLWLUNLMARYGS-OAHLLOKOSA-N 1 0 382.346 2.900 20 0 GFADRO Cc1cc(Br)oc1C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000050797941 551161791 /nfs/dbraw/zinc/16/17/91/551161791.db2.gz WQSAUNUAWMKVLB-UHFFFAOYSA-N 1 0 384.318 2.639 20 0 GFADRO C[NH+]1CCN(c2ccc(NC(=O)c3csc(Br)c3)nc2)CC1 ZINC000053745442 551167992 /nfs/dbraw/zinc/16/79/92/551167992.db2.gz HEGHINHAPLKGKD-UHFFFAOYSA-N 1 0 381.299 2.910 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)COc1ccc(Br)cc1Cl)C1CC1 ZINC000055718743 551174829 /nfs/dbraw/zinc/17/48/29/551174829.db2.gz ODARXJVLIXBHII-ZDUSSCGKSA-N 1 0 375.694 2.938 20 0 GFADRO CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CC(=O)N(c3cc(Cl)cc(Cl)c3)C2)C1 ZINC000056983663 551178811 /nfs/dbraw/zinc/17/88/11/551178811.db2.gz HTINBRYZOXABHB-QWHCGFSZSA-N 1 0 384.307 2.804 20 0 GFADRO CNC(=O)C[NH2+]Cc1cc(Br)c(OCc2ccccc2)c(OC)c1 ZINC000060842521 551183707 /nfs/dbraw/zinc/18/37/07/551183707.db2.gz VDXCMBWYVDNVIC-UHFFFAOYSA-N 1 0 393.281 2.872 20 0 GFADRO CC[NH+](CC)Cc1cccc(NC(=O)c2sc(S(N)(=O)=O)cc2C)c1 ZINC000063862813 551184282 /nfs/dbraw/zinc/18/42/82/551184282.db2.gz DSQRVMZFWJQKEO-UHFFFAOYSA-N 1 0 381.523 2.798 20 0 GFADRO COC1CC[NH+](C[C@H](O)COc2ccc(Cl)cc2Br)CC1 ZINC000066411746 551187159 /nfs/dbraw/zinc/18/71/59/551187159.db2.gz OWQHVKLCYMUXSF-LBPRGKRZSA-N 1 0 378.694 2.953 20 0 GFADRO C[C@@H](CC[NH+](C)C)NC(=O)N1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000068591038 551192273 /nfs/dbraw/zinc/19/22/73/551192273.db2.gz CNNKSMSIUZJDQA-XJKSGUPXSA-N 1 0 384.318 2.872 20 0 GFADRO CC[C@H](CO)[NH+]1CCN(CC2=Cc3cc(Br)ccc3OC2)CC1 ZINC000093740244 551195576 /nfs/dbraw/zinc/19/55/76/551195576.db2.gz WVJKLDPMPKGPGZ-QGZVFWFLSA-N 1 0 381.314 2.613 20 0 GFADRO C[NH+]1CCC(CNC(=O)CNC(=O)c2sc3ccccc3c2Cl)CC1 ZINC000101675905 551197620 /nfs/dbraw/zinc/19/76/20/551197620.db2.gz CKFKGMSOBCJSFI-UHFFFAOYSA-N 1 0 379.913 2.743 20 0 GFADRO CC(C)[N@H+](C[C@H](C)O)C[C@H](O)COc1ccc(Cl)cc1Br ZINC000107040883 551201547 /nfs/dbraw/zinc/20/15/47/551201547.db2.gz LOWMLCMFDYSQIG-AAEUAGOBSA-N 1 0 380.710 2.933 20 0 GFADRO CC(C)[N@H+](C[C@@H](C)O)C[C@H](O)COc1ccc(Cl)cc1Br ZINC000107040879 551201730 /nfs/dbraw/zinc/20/17/30/551201730.db2.gz LOWMLCMFDYSQIG-YPMHNXCESA-N 1 0 380.710 2.933 20 0 GFADRO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)c1cc(=O)c2cc(Br)ccc2[nH]1 ZINC000112630846 551206524 /nfs/dbraw/zinc/20/65/24/551206524.db2.gz HFVDDOVMVXMTCD-LLVKDONJSA-N 1 0 390.281 2.505 20 0 GFADRO C[N@H+](CCNC(=O)c1cc(=O)c2cc(Br)ccc2[nH]1)C1CCCC1 ZINC000112635980 551206638 /nfs/dbraw/zinc/20/66/38/551206638.db2.gz UJPDJSRGPHKWRO-UHFFFAOYSA-N 1 0 392.297 2.895 20 0 GFADRO O=C(NCC1CC[NH+](CCO)CC1)N[C@@H]1CCc2c1ccc(Cl)c2Cl ZINC000113620530 551208307 /nfs/dbraw/zinc/20/83/07/551208307.db2.gz JSCMUNOEUSMSFF-MRXNPFEDSA-N 1 0 386.323 2.984 20 0 GFADRO C[NH+](C)C1(CNC(=O)CCOc2cccc(Cl)c2Cl)CCOCC1 ZINC000114055128 551208612 /nfs/dbraw/zinc/20/86/12/551208612.db2.gz UWRDTJKOIWNDHV-UHFFFAOYSA-N 1 0 375.296 2.989 20 0 GFADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)NCCc3nc(C(F)(F)F)cs3)CC[C@@H]21 ZINC000119623797 551217858 /nfs/dbraw/zinc/21/78/58/551217858.db2.gz YKQNWQZWYKAQFZ-NEPJUHHUSA-N 1 0 376.448 2.830 20 0 GFADRO COc1ccccc1N1CC[C@H]([NH2+][C@H](C)Cn2cc(Br)cn2)C1 ZINC000119671229 551218474 /nfs/dbraw/zinc/21/84/74/551218474.db2.gz OSZYXTNRNWIWCT-HIFRSBDPSA-N 1 0 379.302 2.911 20 0 GFADRO Cc1ccc(NC(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c(Br)c1 ZINC000120326658 551219566 /nfs/dbraw/zinc/21/95/66/551219566.db2.gz VWZHOIUVMZANPH-XJKSGUPXSA-N 1 0 394.313 2.639 20 0 GFADRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NCc1cn2cc(Br)ccc2n1 ZINC000120351060 551220049 /nfs/dbraw/zinc/22/00/49/551220049.db2.gz BITYOLPRWIZOOE-DOMZBBRYSA-N 1 0 394.317 2.578 20 0 GFADRO Cc1cccc(NC(=O)C(=O)NC[C@H]2CC[N@@H+](CC(C)C)C2)c1Br ZINC000121145357 551228379 /nfs/dbraw/zinc/22/83/79/551228379.db2.gz HIQFJLDLFAXTJH-CQSZACIVSA-N 1 0 396.329 2.790 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@@H](NS(=O)(=O)Cc2ccc(Br)cc2)C1 ZINC000121287325 551231212 /nfs/dbraw/zinc/23/12/12/551231212.db2.gz FEHARCAPGSCXGK-HUUCEWRRSA-N 1 0 375.332 2.741 20 0 GFADRO CC(C)(Cc1ccc(Br)cc1)[NH2+]C[C@@H](O)COC[C@H]1CCCO1 ZINC000121350489 551232888 /nfs/dbraw/zinc/23/28/88/551232888.db2.gz JLXIRRBTLKCRBR-IAGOWNOFSA-N 1 0 386.330 2.916 20 0 GFADRO C[N@H+](Cc1ncc(-c2cccc(Cl)c2)o1)C1CCN(S(C)(=O)=O)CC1 ZINC000121494627 551235337 /nfs/dbraw/zinc/23/53/37/551235337.db2.gz UISMNDHKDHXZFS-UHFFFAOYSA-N 1 0 383.901 2.851 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000121894763 551291856 /nfs/dbraw/zinc/29/18/56/551291856.db2.gz SPYPHFVUEQOXBE-APHBMKBZSA-N 1 0 394.313 2.530 20 0 GFADRO CSc1ccc(Cl)cc1NC(=O)C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000122148948 551295106 /nfs/dbraw/zinc/29/51/06/551295106.db2.gz UAOKMYHZQCZGQS-IUODEOHRSA-N 1 0 381.929 2.943 20 0 GFADRO Cc1cc(NC(=O)C(=O)NC[C@H](C)C[NH+]2CCCC2)ccc1Br ZINC000122411408 551297612 /nfs/dbraw/zinc/29/76/12/551297612.db2.gz RJSWVCVQWWHCPS-LBPRGKRZSA-N 1 0 382.302 2.544 20 0 GFADRO COC1CC[NH+](CCNC(=O)CCc2cc(Br)ccc2F)CC1 ZINC000122574586 551300178 /nfs/dbraw/zinc/30/01/78/551300178.db2.gz OCMFAMCMXJRHBR-UHFFFAOYSA-N 1 0 387.293 2.748 20 0 GFADRO O=S(=O)(NC1CC[NH+](Cc2ccc3c[nH]nc3c2)CC1)c1cccs1 ZINC000123622276 551307281 /nfs/dbraw/zinc/30/72/81/551307281.db2.gz QSZRAOCBRMKHIR-UHFFFAOYSA-N 1 0 376.507 2.567 20 0 GFADRO CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)CC(=O)Nc1ccccc1Br ZINC000123869806 551309203 /nfs/dbraw/zinc/30/92/03/551309203.db2.gz LJZOPFOUCFHXRN-OAHLLOKOSA-N 1 0 382.302 2.720 20 0 GFADRO O=C(c1csc(I)c1)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000124216200 551312421 /nfs/dbraw/zinc/31/24/21/551312421.db2.gz VXOMPJMZEUHVDQ-CMPLNLGQSA-N 1 0 390.290 2.957 20 0 GFADRO CC(C)OCC[NH+]1CCC(NC(=O)Nc2cncc(Br)c2)CC1 ZINC000126465410 551330030 /nfs/dbraw/zinc/33/00/30/551330030.db2.gz NCXFDQRUAPYTJG-UHFFFAOYSA-N 1 0 385.306 2.855 20 0 GFADRO CC[NH+](CC)CCCNC(=O)[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000126726685 551331923 /nfs/dbraw/zinc/33/19/23/551331923.db2.gz OQTAEEASWYPXEC-MRXNPFEDSA-N 1 0 396.329 2.650 20 0 GFADRO Cc1cc(C)c(Br)c(C(=O)NC[C@H](O)C[NH+]2CCC(C)CC2)c1 ZINC000127102772 551336936 /nfs/dbraw/zinc/33/69/36/551336936.db2.gz DJAKHRRLTWTROR-HNNXBMFYSA-N 1 0 383.330 2.889 20 0 GFADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cc(C)cc(Br)c3)C2)CC1 ZINC000127462515 551340846 /nfs/dbraw/zinc/34/08/46/551340846.db2.gz SCZBVIIQCISNGO-QGZVFWFLSA-N 1 0 380.330 2.610 20 0 GFADRO Cc1ccc(S(=O)(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)cc1Cl ZINC000127450056 551340857 /nfs/dbraw/zinc/34/08/57/551340857.db2.gz ZICCWNARRAJDLN-MSOLQXFVSA-N 1 0 386.945 2.695 20 0 GFADRO C[C@H](CCS(C)(=O)=O)[NH2+][C@H](C)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000127457825 551341044 /nfs/dbraw/zinc/34/10/44/551341044.db2.gz GEUUIFOODIKHGJ-HUUCEWRRSA-N 1 0 387.567 2.877 20 0 GFADRO [NH3+][C@@H]1CCCC[C@H]1NC(=O)c1nn(-c2ccc(F)cc2)cc1Br ZINC000128715428 551351516 /nfs/dbraw/zinc/35/15/16/551351516.db2.gz CPUPUQPAUZQGBU-ZIAGYGMSSA-N 1 0 381.249 2.774 20 0 GFADRO COCC[N@@H+]1CCC[C@H]1CNS(=O)(=O)Cc1ccc(Cl)cc1Cl ZINC000129346713 551356435 /nfs/dbraw/zinc/35/64/35/551356435.db2.gz YJXAZXGQKGKZIY-AWEZNQCLSA-N 1 0 381.325 2.524 20 0 GFADRO C[C@H](CNC(=O)[C@H](C)Sc1nc2ccccc2s1)N1CC[NH+](C)CC1 ZINC000130567040 551366267 /nfs/dbraw/zinc/36/62/67/551366267.db2.gz ROTNYYLUESOURX-KGLIPLIRSA-N 1 0 378.567 2.529 20 0 GFADRO C[C@H](NC(=O)Nc1ccc(NS(C)(=O)=O)c(Cl)c1)C(C)(C)C[NH+](C)C ZINC000130753589 551368645 /nfs/dbraw/zinc/36/86/45/551368645.db2.gz GWYVZVNZLZNZCZ-NSHDSACASA-N 1 0 390.937 2.809 20 0 GFADRO C[C@@H]([NH2+]CCN1CCc2sccc2C1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000132870661 551379803 /nfs/dbraw/zinc/37/98/03/551379803.db2.gz OHWYFPQSBLWOSV-CYBMUJFWSA-N 1 0 382.526 3.000 20 0 GFADRO C[NH+](C)C1CN(C(=O)c2cc(I)cc(C(F)(F)F)c2)C1 ZINC000134976350 551386832 /nfs/dbraw/zinc/38/68/32/551386832.db2.gz JJXBWCSSYVEQCS-UHFFFAOYSA-N 1 0 398.166 2.696 20 0 GFADRO COc1ccc(C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)cc1Br ZINC000136970946 551390197 /nfs/dbraw/zinc/39/01/97/551390197.db2.gz GTKSVCXPASVEII-CYBMUJFWSA-N 1 0 397.313 2.688 20 0 GFADRO O=C(CSc1cccc[n+]1[O-])NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000140047570 551392845 /nfs/dbraw/zinc/39/28/45/551392845.db2.gz CMBFGZOSLBNBOB-HNNXBMFYSA-N 1 0 377.535 2.502 20 0 GFADRO Cc1ncsc1C(=O)N1CCCN(C[C@H](O)c2ccccc2Cl)CC1 ZINC000142089625 551394981 /nfs/dbraw/zinc/39/49/81/551394981.db2.gz LVAKSKOQTVAOMT-INIZCTEOSA-N 1 0 379.913 2.986 20 0 GFADRO C[C@@H](C(=O)NCc1cccs1)N1CCC(NC(=O)c2cccs2)CC1 ZINC000143537705 551395396 /nfs/dbraw/zinc/39/53/96/551395396.db2.gz WXMJZLDPQHMQJI-ZDUSSCGKSA-N 1 0 377.535 2.709 20 0 GFADRO COCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](Cc2ccc(F)c(Br)c2)C1 ZINC000144483281 551395896 /nfs/dbraw/zinc/39/58/96/551395896.db2.gz CYJLKZCLPJODJT-GXTWGEPZSA-N 1 0 387.293 2.951 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)c1ccc(C[NH3+])o1 ZINC000150715766 551400510 /nfs/dbraw/zinc/40/05/10/551400510.db2.gz FAXLUMZLWMJFAF-UHFFFAOYSA-N 1 0 380.242 2.520 20 0 GFADRO CC[N@H+](C)C[C@H]1CCN(C(=O)NCCOc2ncc(Cl)cc2Cl)C1 ZINC000150901108 551403223 /nfs/dbraw/zinc/40/32/23/551403223.db2.gz ZQHIEISUSORYAX-GFCCVEGCSA-N 1 0 375.300 2.750 20 0 GFADRO CCO[C@@H](CC[NH+](C)C)CNS(=O)(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000150881441 551403412 /nfs/dbraw/zinc/40/34/12/551403412.db2.gz LXROYYBHGVBHIO-ZDUSSCGKSA-N 1 0 383.341 2.770 20 0 GFADRO O=S(=O)(C1CC1)N1CCC([NH2+]Cc2csc(Br)c2)CC1 ZINC000151269125 551410432 /nfs/dbraw/zinc/41/04/32/551410432.db2.gz WSGRCRYWBPEVIG-UHFFFAOYSA-N 1 0 379.345 2.557 20 0 GFADRO CC[NH2+]CCNC(=O)c1nn(-c2cccc(Br)c2)c2c1CCCC2 ZINC000151389399 551412905 /nfs/dbraw/zinc/41/29/05/551412905.db2.gz DDYBKOKIWCIOJH-UHFFFAOYSA-N 1 0 391.313 2.853 20 0 GFADRO O=C(NC1CC[NH+](CCc2ccncc2)CC1)c1ccncc1Br ZINC000151441214 551413870 /nfs/dbraw/zinc/41/38/70/551413870.db2.gz AVIKBOXCTRFVGN-UHFFFAOYSA-N 1 0 389.297 2.676 20 0 GFADRO COc1ccc(COC[C@H](O)C[N@H+](C)Cc2cc(Br)cn2C)cc1 ZINC000151473464 551414542 /nfs/dbraw/zinc/41/45/42/551414542.db2.gz WLGSSLNNCCFSHZ-QGZVFWFLSA-N 1 0 397.313 2.806 20 0 GFADRO C[C@H](Cn1cc(Br)cn1)[NH2+]CCNc1nccc(C(F)(F)F)n1 ZINC000151768894 551421051 /nfs/dbraw/zinc/42/10/51/551421051.db2.gz RSWBUSCCBXTXKE-SECBINFHSA-N 1 0 393.211 2.545 20 0 GFADRO CN(CC(=O)Nc1ccc(I)cc1)[C@H]1CCSC1 ZINC000152995373 551444204 /nfs/dbraw/zinc/44/42/04/551444204.db2.gz FAUNBIUBOLKUJY-LBPRGKRZSA-N 1 0 376.263 2.667 20 0 GFADRO COc1ccsc1S(=O)(=O)NC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000152012503 551424971 /nfs/dbraw/zinc/42/49/71/551424971.db2.gz MNNVTAASZOLGQY-ZBFHGGJFSA-N 1 0 380.535 2.946 20 0 GFADRO COC(=O)CC1([NH2+]CC2=Cc3cc(Br)ccc3OC2)CCOCC1 ZINC000152541104 551435318 /nfs/dbraw/zinc/43/53/18/551435318.db2.gz YHVBPEHHIKZTPP-UHFFFAOYSA-N 1 0 396.281 2.927 20 0 GFADRO CCNC(=O)NC(=O)[C@@H](C)[N@H+](C)CC1(c2ccc(Br)cc2)CC1 ZINC000152615435 551436412 /nfs/dbraw/zinc/43/64/12/551436412.db2.gz XMMWEWGYRCXYSF-GFCCVEGCSA-N 1 0 382.302 2.647 20 0 GFADRO C[C@H](C(=O)NC(=O)NC1CC1)[N@H+](C)CC1(c2ccc(Br)cc2)CC1 ZINC000152610932 551436461 /nfs/dbraw/zinc/43/64/61/551436461.db2.gz GCIUSIAAZCFNKC-GFCCVEGCSA-N 1 0 394.313 2.789 20 0 GFADRO CCO[C@H]1C[C@@H](O)C12CC[NH+](C[C@H](O)c1ccc(Br)cc1)CC2 ZINC000152835991 551440642 /nfs/dbraw/zinc/44/06/42/551440642.db2.gz ZQIDASHBXZQTRC-BBWFWOEESA-N 1 0 384.314 2.734 20 0 GFADRO CN(Cc1cc(Br)cs1)C(=O)C[N@@H+]1CC[C@@H]2OCCC[C@@H]2C1 ZINC000153074405 551446323 /nfs/dbraw/zinc/44/63/23/551446323.db2.gz ACMNSSZQOZPMMD-DOMZBBRYSA-N 1 0 387.343 2.970 20 0 GFADRO Cc1c(C(=O)N(C)[C@H]2CCC[N@H+](C)C2)nnn1-c1cccc(Br)c1 ZINC000153419774 551452154 /nfs/dbraw/zinc/45/21/54/551452154.db2.gz BINNVWCCHQVSRJ-HNNXBMFYSA-N 1 0 392.301 2.504 20 0 GFADRO C[C@H]1CN(C(=O)c2ccc(I)cc2Cl)C[C@H](C)[NH2+]1 ZINC000153553333 551455645 /nfs/dbraw/zinc/45/56/45/551455645.db2.gz NTCRNKVPLALZNU-IUCAKERBSA-N 1 0 378.641 2.767 20 0 GFADRO CN(C(=O)Cc1csc(NC(=O)c2cccs2)n1)[C@H]1CCC[N@H+](C)C1 ZINC000153596563 551456339 /nfs/dbraw/zinc/45/63/39/551456339.db2.gz IWQHNPJARKLNRL-ZDUSSCGKSA-N 1 0 378.523 2.552 20 0 GFADRO C[C@@H]([NH2+]C1CCN(S(=O)(=O)c2cnn(C)c2)CC1)c1ccc(Cl)cc1 ZINC000153627048 551457156 /nfs/dbraw/zinc/45/71/56/551457156.db2.gz NRIOQAODKNTHHE-CYBMUJFWSA-N 1 0 382.917 2.577 20 0 GFADRO Brc1cc2c(c(CN3CCC[C@@H](C[NH+]4CCOCC4)C3)c1)OCC2 ZINC000153842189 551461584 /nfs/dbraw/zinc/46/15/84/551461584.db2.gz ZNGQINQDBACNIV-HNNXBMFYSA-N 1 0 395.341 2.928 20 0 GFADRO COc1ccc(Br)cc1C(=O)CCC(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000154156181 551468663 /nfs/dbraw/zinc/46/86/63/551468663.db2.gz AVAJRJZFPCFSSZ-TXEJJXNPSA-N 1 0 383.286 2.629 20 0 GFADRO O=S(=O)(c1ccc(Br)cc1F)N1CCC([NH+]2CCCC2)CC1 ZINC000154518381 551476982 /nfs/dbraw/zinc/47/69/82/551476982.db2.gz ICGMSSQNZDBNTR-UHFFFAOYSA-N 1 0 391.306 2.837 20 0 GFADRO Cc1ccc(C(=O)N2CCC(OCC[NH+]3CCCC3)CC2)c(Br)n1 ZINC000154557158 551477672 /nfs/dbraw/zinc/47/76/72/551477672.db2.gz ULGUTAUCARTHIA-UHFFFAOYSA-N 1 0 396.329 2.870 20 0 GFADRO C[NH2+]C[C@@H](C)CNC(=O)c1c(C)nn(Cc2cccc(Br)c2)c1C ZINC000154650767 551479896 /nfs/dbraw/zinc/47/98/96/551479896.db2.gz NFHHNESXEBNNHX-GFCCVEGCSA-N 1 0 393.329 2.896 20 0 GFADRO [NH3+][C@H]1CC[C@@H](C(=O)NCC2(c3ccc(Br)cc3)CCOCC2)C1 ZINC000155146236 551492642 /nfs/dbraw/zinc/49/26/42/551492642.db2.gz KDIQXEMPJWBCEF-CJNGLKHVSA-N 1 0 381.314 2.741 20 0 GFADRO CN(C)C(=O)[C@H]1CCCN1CCC[NH2+][C@@H]1CCc2cc(Br)ccc21 ZINC000155286030 551496620 /nfs/dbraw/zinc/49/66/20/551496620.db2.gz IQWSWIRKCBZYBS-QZTJIDSGSA-N 1 0 394.357 2.969 20 0 GFADRO C[C@H]1CCC[N@H+](CCNS(=O)(=O)c2cc(F)ccc2Br)C1 ZINC000155340648 551497410 /nfs/dbraw/zinc/49/74/10/551497410.db2.gz OALJQGNGALOOIH-NSHDSACASA-N 1 0 379.295 2.598 20 0 GFADRO CS(=O)(=O)NCCC[NH2+]Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000155725061 551506308 /nfs/dbraw/zinc/50/63/08/551506308.db2.gz SESUTPMMLQMIIW-UHFFFAOYSA-N 1 0 378.338 2.753 20 0 GFADRO Cc1cccc(S(=O)(=O)CCC[NH2+][C@@H](C[S@](C)=O)c2ccccc2)c1 ZINC000155814200 551508243 /nfs/dbraw/zinc/50/82/43/551508243.db2.gz FPOKIJBDZLPWLI-YADARESESA-N 1 0 379.547 2.868 20 0 GFADRO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1cncc(I)c1 ZINC000156033599 551513098 /nfs/dbraw/zinc/51/30/98/551513098.db2.gz OWDXCMVLSSEFOC-LBPRGKRZSA-N 1 0 387.265 2.681 20 0 GFADRO O=C(NCC[NH+]1CCCCC1)c1cc(=O)[nH]c2ccc(Br)cc21 ZINC000156186020 551516578 /nfs/dbraw/zinc/51/65/78/551516578.db2.gz FWYXEKPYXIUSAG-UHFFFAOYSA-N 1 0 378.270 2.506 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1cc(=O)[nH]c2ccc(Br)cc21 ZINC000156190116 551517340 /nfs/dbraw/zinc/51/73/40/551517340.db2.gz HSQSNSOVGRMOPB-GFCCVEGCSA-N 1 0 392.297 2.895 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2cc(F)ccc2Br)[C@H](C)C1 ZINC000156347926 551520738 /nfs/dbraw/zinc/52/07/38/551520738.db2.gz YVSXASFFOXIUKO-BXUZGUMPSA-N 1 0 393.322 2.939 20 0 GFADRO CC(=O)N1CC[C@@H](C[N@@H+](C)[C@H](C)C(=O)Nc2ccc(Br)cc2)C1 ZINC000156507334 551523757 /nfs/dbraw/zinc/52/37/57/551523757.db2.gz ZDGWLKDCOSITEE-OCCSQVGLSA-N 1 0 382.302 2.576 20 0 GFADRO COC(=O)c1cc(S(=O)(=O)NC2CC[NH+](C(C)(C)C)CC2)ccc1Cl ZINC000156809101 551528854 /nfs/dbraw/zinc/52/88/54/551528854.db2.gz KTAHSGMLRXBGGW-UHFFFAOYSA-N 1 0 388.917 2.668 20 0 GFADRO C[C@@H]1CN(C(=O)Nc2cc(F)c(F)cc2I)[C@@H](C)C[NH2+]1 ZINC000415225085 563763096 /nfs/dbraw/zinc/76/30/96/563763096.db2.gz BLTKVUKTMXEGEX-SFYZADRCSA-N 1 0 395.191 2.784 20 0 GFADRO C[C@H]1CCCN(C(=O)Cc2csc(NC(=O)c3cccs3)n2)[C@@H]1C[NH3+] ZINC000156951708 551530734 /nfs/dbraw/zinc/53/07/34/551530734.db2.gz BMZQPEDGRZLVEM-WCQYABFASA-N 1 0 378.523 2.585 20 0 GFADRO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NCc1cc(F)ccc1Br ZINC000157357402 551536947 /nfs/dbraw/zinc/53/69/47/551536947.db2.gz ARULRGMTSHNKDJ-INIZCTEOSA-N 1 0 387.293 2.998 20 0 GFADRO CCOc1c(Br)cc(C[NH2+][C@@H](C)CC(N)=O)cc1Br ZINC000157406918 551537417 /nfs/dbraw/zinc/53/74/17/551537417.db2.gz PANNOKMHGOFWOR-QMMMGPOBSA-N 1 0 394.107 2.964 20 0 GFADRO C[NH+](C)CCCNC(=O)c1nn(-c2cccc(Br)c2)c2c1CCC2 ZINC000158215978 551548387 /nfs/dbraw/zinc/54/83/87/551548387.db2.gz QXVHSGYOEGEEMY-UHFFFAOYSA-N 1 0 391.313 2.805 20 0 GFADRO CC(C)C[N@@H+]1Cc2cccc(NC(=O)CS[C@@H]3CCS(=O)(=O)C3)c2C1 ZINC000158283689 551549453 /nfs/dbraw/zinc/54/94/53/551549453.db2.gz HSQZIFDRSURJSQ-OAHLLOKOSA-N 1 0 382.551 2.517 20 0 GFADRO [NH3+][C@H]1CCCN(C(=O)[C@H]2CCCN(C(=O)c3ccc(Cl)c(Cl)c3)C2)C1 ZINC000158426665 551551720 /nfs/dbraw/zinc/55/17/20/551551720.db2.gz HVVKTLCCACFKOL-KBPBESRZSA-N 1 0 384.307 2.795 20 0 GFADRO CS(=O)(=O)c1cc(C(=O)NCc2cccc(C[NH+]3CCCC3)c2)cs1 ZINC000158757189 551556065 /nfs/dbraw/zinc/55/60/65/551556065.db2.gz BHMRZRDEDLRNBK-UHFFFAOYSA-N 1 0 378.519 2.677 20 0 GFADRO CC[NH+]1CCN(CCCNC(=O)[C@H](C)c2ccc(Br)cc2)CC1 ZINC000158769518 551556952 /nfs/dbraw/zinc/55/69/52/551556952.db2.gz ZFWHQTXCLXEMDU-OAHLLOKOSA-N 1 0 382.346 2.696 20 0 GFADRO CC[NH+]1CCN([C@@H](C)CNC(=O)[C@H](C)c2ccc(Br)cc2)CC1 ZINC000158886079 551558361 /nfs/dbraw/zinc/55/83/61/551558361.db2.gz UCDBNMHNKBFZAQ-LSDHHAIUSA-N 1 0 382.346 2.695 20 0 GFADRO Cc1cc(C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)nn1-c1ccc(Br)cc1 ZINC000159072691 551560825 /nfs/dbraw/zinc/56/08/25/551560825.db2.gz CJRATPNEOYPPBO-GOSISDBHSA-N 1 0 389.297 2.769 20 0 GFADRO C[NH2+]C[C@@H]1CCN(C(=O)c2cc(Br)ccc2Br)C1 ZINC000160944012 551588123 /nfs/dbraw/zinc/58/81/23/551588123.db2.gz KVXDHQYJJMTKKY-VIFPVBQESA-N 1 0 376.092 2.893 20 0 GFADRO C[N@@H+]1CCCN(C(=O)C(=O)Nc2ccc(Br)c3ccccc23)CC1 ZINC000162098960 551603832 /nfs/dbraw/zinc/60/38/32/551603832.db2.gz JMHGAOIHBFZTHK-UHFFFAOYSA-N 1 0 390.281 2.705 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)C(=O)N(CC[NH+](C)C)CC(C)C ZINC000162756083 551612484 /nfs/dbraw/zinc/61/24/84/551612484.db2.gz VIJZKFCCKBZPIS-UHFFFAOYSA-N 1 0 384.318 2.742 20 0 GFADRO CCCC[C@@H](C[NH3+])NC(=O)c1nnn(-c2cccc(Br)c2)c1C ZINC000162764085 551612550 /nfs/dbraw/zinc/61/25/50/551612550.db2.gz JEFIWAWWPOEBMV-ZDUSSCGKSA-N 1 0 380.290 2.586 20 0 GFADRO C[NH+]1CCN(c2ccc(NCc3cc(O)ccc3Br)cn2)CC1 ZINC000162895429 551614204 /nfs/dbraw/zinc/61/42/04/551614204.db2.gz IPBYLGBUYAFYNY-UHFFFAOYSA-N 1 0 377.286 2.914 20 0 GFADRO CCCC[N@H+](C)CCNC(=O)N(C)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000163234484 551617639 /nfs/dbraw/zinc/61/76/39/551617639.db2.gz FTPSONBQWKSLTL-OAHLLOKOSA-N 1 0 387.933 2.542 20 0 GFADRO C[C@H](C(=O)N(C)C)[NH+]1CCC(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000163210228 551617817 /nfs/dbraw/zinc/61/78/17/551617817.db2.gz HPKOOQPSZREMFJ-GFCCVEGCSA-N 1 0 382.302 2.576 20 0 GFADRO Cc1sc(C(=O)NC[C@@H]2CCC[N@@H+](CC(C)C)C2)cc1CS(C)(=O)=O ZINC000163498612 551620159 /nfs/dbraw/zinc/62/01/59/551620159.db2.gz JVUQFMUOJXSFKY-HNNXBMFYSA-N 1 0 386.583 2.699 20 0 GFADRO C[C@H]1CCCN1C(=O)CC[NH+]1CCN(Cc2ccc(Br)cc2)CC1 ZINC000163936871 551622784 /nfs/dbraw/zinc/62/27/84/551622784.db2.gz JLMHWZDINHUBOJ-INIZCTEOSA-N 1 0 394.357 2.968 20 0 GFADRO CC(C)COC[C@@H](O)C[NH+]1CCN(Cc2ccc(Br)cc2)CC1 ZINC000163936245 551622844 /nfs/dbraw/zinc/62/28/44/551622844.db2.gz PLMNUNHAGLRWGS-SFHVURJKSA-N 1 0 385.346 2.600 20 0 GFADRO Brc1ccc2c(c1)C=C(C[NH2+]Cc1cccnc1-n1cncn1)CO2 ZINC000171049980 551645267 /nfs/dbraw/zinc/64/52/67/551645267.db2.gz VCWGOLANKZVCBS-UHFFFAOYSA-N 1 0 398.264 2.990 20 0 GFADRO CC[C@H](C)[N@H+](C)CCNC(=O)NC[C@H](O)COc1cccc(Cl)c1Cl ZINC000171075662 551645808 /nfs/dbraw/zinc/64/58/08/551645808.db2.gz BNZYLIUYOHDOKD-STQMWFEESA-N 1 0 392.327 2.763 20 0 GFADRO C[C@H](CNS(=O)(=O)c1cc2c(cc1Cl)OCCO2)C[NH+]1CCCCC1 ZINC000171242320 551650851 /nfs/dbraw/zinc/65/08/51/551650851.db2.gz IFMXENWICPSQHY-CYBMUJFWSA-N 1 0 388.917 2.512 20 0 GFADRO COc1ccc(Br)cc1[C@H]1CCC[N@@H+]1C[C@H](O)Cn1cccn1 ZINC000171345882 551653074 /nfs/dbraw/zinc/65/30/74/551653074.db2.gz ZWVXUISJDAOVMX-GOEBONIOSA-N 1 0 380.286 2.852 20 0 GFADRO C[C@H]1CCCC[C@@H]1[NH2+]CC(=O)NCC(=O)Nc1ccccc1Br ZINC000171414679 551655298 /nfs/dbraw/zinc/65/52/98/551655298.db2.gz JVBJANHLYUXZNU-JSGCOSHPSA-N 1 0 382.302 2.672 20 0 GFADRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(Cc2cncc(Br)c2)CC1 ZINC000172191039 551672862 /nfs/dbraw/zinc/67/28/62/551672862.db2.gz WYLKRPUAPAHDBH-HZPDHXFCSA-N 1 0 381.362 2.835 20 0 GFADRO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)c1c[nH]c(=O)c(Br)c1 ZINC000172982457 551691571 /nfs/dbraw/zinc/69/15/71/551691571.db2.gz NJMLNTYODZEDCH-CYBMUJFWSA-N 1 0 396.310 2.766 20 0 GFADRO O=S(=O)(Cc1ccc(Cl)nc1)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000173007574 551691914 /nfs/dbraw/zinc/69/19/14/551691914.db2.gz UDZKJUCMNDYYJM-QGZVFWFLSA-N 1 0 379.913 2.992 20 0 GFADRO COc1cc(Cl)c(S(=O)(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)cc1Cl ZINC000173023302 551692823 /nfs/dbraw/zinc/69/28/23/551692823.db2.gz LIJMGCQXXSKGSP-SNVBAGLBSA-N 1 0 379.309 2.765 20 0 GFADRO C[C@H](NC(=O)c1cc(Br)c2c(c1)OCCO2)C(C)(C)C[NH+](C)C ZINC000173057779 551693834 /nfs/dbraw/zinc/69/38/34/551693834.db2.gz AVJYRZOKUUTUKB-NSHDSACASA-N 1 0 385.302 2.926 20 0 GFADRO COc1ccc(Br)c(S(=O)(=O)N2CCC[C@@H]([NH+](C)C)CC2)c1 ZINC000365404194 563782087 /nfs/dbraw/zinc/78/20/87/563782087.db2.gz HBEUVLSTJQCWNL-GFCCVEGCSA-N 1 0 391.331 2.563 20 0 GFADRO C[C@@H](NC(=O)NCCCC[NH+]1CCOCC1)c1ccc(Br)s1 ZINC000443022586 563787861 /nfs/dbraw/zinc/78/78/61/563787861.db2.gz QETSFPVMILWWJL-GFCCVEGCSA-N 1 0 390.347 2.983 20 0 GFADRO C[C@H](CCC[NH3+])NC(=O)C(=O)Nc1ccc(Br)c(C(F)(F)F)c1 ZINC000415771247 563795670 /nfs/dbraw/zinc/79/56/70/563795670.db2.gz CWWKYZRHJCVPHX-MRVPVSSYSA-N 1 0 396.207 2.650 20 0 GFADRO C[C@@H](NC(=O)NCC1([NH+](C)C)CCOCC1)c1ccc(Br)s1 ZINC000443170381 563794833 /nfs/dbraw/zinc/79/48/33/563794833.db2.gz GZWUVOOWBIKWCV-LLVKDONJSA-N 1 0 390.347 2.982 20 0 GFADRO Cc1cc(Br)ccc1C(=O)N1CCCC[C@H]([NH+]2CCN(C)CC2)C1 ZINC000173294054 552082010 /nfs/dbraw/zinc/08/20/10/552082010.db2.gz FWYXXMJLWYHSHD-KRWDZBQOSA-N 1 0 394.357 3.000 20 0 GFADRO C[C@H]([NH2+]C[C@H](O)c1ccc(Cl)cc1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000173304063 552082076 /nfs/dbraw/zinc/08/20/76/552082076.db2.gz IEDXRRSKLKIOOM-UGSOOPFHSA-N 1 0 382.913 2.975 20 0 GFADRO COCC[NH+]1CCC(NC(=O)[C@@H](C)c2ccc(Br)s2)CC1 ZINC000173835548 552093151 /nfs/dbraw/zinc/09/31/51/552093151.db2.gz KJTWFHHDRLLVCN-NSHDSACASA-N 1 0 375.332 2.841 20 0 GFADRO CCC[N@H+](C)C[C@H]1CCN(S(=O)(=O)c2sccc2Br)C1 ZINC000173951757 552095715 /nfs/dbraw/zinc/09/57/15/552095715.db2.gz KARRUBMFDHPJOJ-LLVKDONJSA-N 1 0 381.361 2.863 20 0 GFADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccc(F)cc2I)C1 ZINC000174489600 552104929 /nfs/dbraw/zinc/10/49/29/552104929.db2.gz YZOFJXBTVKXEFI-NSHDSACASA-N 1 0 390.240 2.844 20 0 GFADRO COCCC[N@H+](C)CCNCc1nc(-c2cccc(Br)c2)c[nH]1 ZINC000174525003 552105642 /nfs/dbraw/zinc/10/56/42/552105642.db2.gz UGKJZRGJXIGASP-UHFFFAOYSA-N 1 0 381.318 2.897 20 0 GFADRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2cc(=O)[nH]c3ccc(Br)cc32)C1 ZINC000174523445 552105764 /nfs/dbraw/zinc/10/57/64/552105764.db2.gz GAOPDYWBEJZPJJ-GFCCVEGCSA-N 1 0 392.297 2.704 20 0 GFADRO COC(=O)C[C@@H](NC(=O)C1CC[NH+](C)CC1)c1ccc(Br)cc1 ZINC000174545143 552106103 /nfs/dbraw/zinc/10/61/03/552106103.db2.gz CRAOYAAFVHNKKS-OAHLLOKOSA-N 1 0 383.286 2.511 20 0 GFADRO CCC[N@H+](CC)CCNC(=O)C[C@H](NC(C)=O)c1ccc(Br)cc1 ZINC000174669846 552108043 /nfs/dbraw/zinc/10/80/43/552108043.db2.gz CXNFLQMBXCSIMH-KRWDZBQOSA-N 1 0 398.345 2.865 20 0 GFADRO COc1ccc(Br)c(S(=O)(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)c1 ZINC000175080360 552115466 /nfs/dbraw/zinc/11/54/66/552115466.db2.gz JEMRUPHAWLMCOQ-RYUDHWBXSA-N 1 0 391.331 2.609 20 0 GFADRO CC(C)[NH+]1CCC(NC(=O)C(=O)Nc2nc(-c3cccs3)cs2)CC1 ZINC000175807498 552129960 /nfs/dbraw/zinc/12/99/60/552129960.db2.gz WXONCLBNSJLVHB-UHFFFAOYSA-N 1 0 378.523 2.799 20 0 GFADRO O=C1NC[C@@H]2CN(Cc3ccc(-c4ccc(Br)cc4)o3)CCN12 ZINC000175927782 552132164 /nfs/dbraw/zinc/13/21/64/552132164.db2.gz LWMXVFISXZZCNB-CQSZACIVSA-N 1 0 376.254 2.919 20 0 GFADRO CC[NH+](CC)[C@H]1CCN(C(=O)Nc2cccc(S(=O)(=O)C(F)F)c2)C1 ZINC000176000494 552133868 /nfs/dbraw/zinc/13/38/68/552133868.db2.gz WIELMUKPJZLJHS-ZDUSSCGKSA-N 1 0 375.441 2.631 20 0 GFADRO C[NH+]1CCC(CCNC(=O)C(=O)Nc2nc(-c3cccs3)cs2)CC1 ZINC000176048841 552134897 /nfs/dbraw/zinc/13/48/97/552134897.db2.gz VIKSVJXAZCZWDC-UHFFFAOYSA-N 1 0 378.523 2.658 20 0 GFADRO CCC[N@H+](C)C[C@@H]1CCN(C[C@H](O)COc2ccc(Br)cc2)C1 ZINC000176284717 552137565 /nfs/dbraw/zinc/13/75/65/552137565.db2.gz QSIYXVSDEJQCRO-RDJZCZTQSA-N 1 0 385.346 2.853 20 0 GFADRO CCOC[C@H]1CC[N@H+](CC(=O)N(C)CCOc2ccc(Br)cc2)C1 ZINC000176344486 552138805 /nfs/dbraw/zinc/13/88/05/552138805.db2.gz CGMXYWGGIHSZLW-HNNXBMFYSA-N 1 0 399.329 2.645 20 0 GFADRO C[N@@H+](Cc1ccc(Br)s1)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000176624666 552142515 /nfs/dbraw/zinc/14/25/15/552142515.db2.gz KTTQIDMJIYKQBY-NSHDSACASA-N 1 0 381.361 2.614 20 0 GFADRO CC[S@](=O)[C@@H]1CCC[C@H]([NH2+][C@@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)C1 ZINC000177605027 552155988 /nfs/dbraw/zinc/15/59/88/552155988.db2.gz WNNAAAFCSQWMAA-IFMRZRKXSA-N 1 0 386.583 2.667 20 0 GFADRO CC[C@@H](C)C[N@H+](CC)CC(=O)NCC(=O)Nc1ccccc1Br ZINC000177860254 552159894 /nfs/dbraw/zinc/15/98/94/552159894.db2.gz ZXHJOOXRHVWWJU-CYBMUJFWSA-N 1 0 384.318 2.872 20 0 GFADRO C[C@H](CNC(=O)N[C@H](CO)c1cccc(Br)c1)[NH+]1CCC(C)CC1 ZINC000178023161 552162728 /nfs/dbraw/zinc/16/27/28/552162728.db2.gz FPMNCXDUDLSLFQ-RHSMWYFYSA-N 1 0 398.345 2.902 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)C[C@@H](C)C1CC[NH2+]CC1 ZINC000178335439 552169139 /nfs/dbraw/zinc/16/91/39/552169139.db2.gz KQFHBJIJDDKIFO-GFCCVEGCSA-N 1 0 396.329 2.838 20 0 GFADRO O[C@H](C[NH2+]Cc1cccc2c1OCCO2)COc1ccccc1Br ZINC000178455031 552170719 /nfs/dbraw/zinc/17/07/19/552170719.db2.gz PBQRFINKSUVDSK-CQSZACIVSA-N 1 0 394.265 2.750 20 0 GFADRO C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CCNC(=O)c1ccco1 ZINC000178488204 552171473 /nfs/dbraw/zinc/17/14/73/552171473.db2.gz KTVYBXDLQLWNCC-LBPRGKRZSA-N 1 0 394.269 2.779 20 0 GFADRO CC1CC[NH+](C2CCC(NC(=O)c3c[nH]c(=O)c(Br)c3)CC2)CC1 ZINC000178615615 552173195 /nfs/dbraw/zinc/17/31/95/552173195.db2.gz YCLCMNBKHPOMCO-UHFFFAOYSA-N 1 0 396.329 2.910 20 0 GFADRO O=C(C[C@@H]1CCC[NH2+]1)N[C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000178842843 552177250 /nfs/dbraw/zinc/17/72/50/552177250.db2.gz BNYMHXYPMQVLGH-NWDGAFQWSA-N 1 0 376.810 2.591 20 0 GFADRO CCCN(C(=O)c1cnn(-c2cccc(Br)c2)c1)[C@H]1CC[NH2+]C1 ZINC000178893289 552178950 /nfs/dbraw/zinc/17/89/50/552178950.db2.gz ZODTZAMTIULDKL-INIZCTEOSA-N 1 0 377.286 2.849 20 0 GFADRO CCCN(C(=O)c1cc(=O)[nH]c2c(Br)cccc12)[C@H]1CC[NH2+]C1 ZINC000178937222 552179791 /nfs/dbraw/zinc/17/97/91/552179791.db2.gz SBSKQAKIBHQFFS-NSHDSACASA-N 1 0 378.270 2.505 20 0 GFADRO CCCN([C@H]1CC[NH2+]C1)S(=O)(=O)c1ccc(OCC)c(Br)c1 ZINC000178933462 552179869 /nfs/dbraw/zinc/17/98/69/552179869.db2.gz LZIBIAWFCUOTPA-LBPRGKRZSA-N 1 0 391.331 2.610 20 0 GFADRO C[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)C1 ZINC000178965802 552180639 /nfs/dbraw/zinc/18/06/39/552180639.db2.gz IHWULGKOVRNVII-WBMJQRKESA-N 1 0 384.307 2.666 20 0 GFADRO C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)C1 ZINC000178964135 552180868 /nfs/dbraw/zinc/18/08/68/552180868.db2.gz OEBYXPIPAUWQHM-LRDDRELGSA-N 1 0 384.307 2.666 20 0 GFADRO C[NH2+]C[C@@H]1CCN(C(=O)c2ccc(I)c(Cl)c2)C1 ZINC000179019515 552182132 /nfs/dbraw/zinc/18/21/32/552182132.db2.gz DHAMEJGOCDUIMT-VIFPVBQESA-N 1 0 378.641 2.626 20 0 GFADRO C[NH2+]C[C@H]1CCN(C(=O)c2ccc(Cl)c(I)c2)C1 ZINC000179023434 552182365 /nfs/dbraw/zinc/18/23/65/552182365.db2.gz WMXZZYYCFKMVAP-SECBINFHSA-N 1 0 378.641 2.626 20 0 GFADRO CN(C(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1)[C@H]1CC[NH2+]C1 ZINC000179109777 552184491 /nfs/dbraw/zinc/18/44/91/552184491.db2.gz GJGAIIMXXVARCD-KGLIPLIRSA-N 1 0 384.307 2.666 20 0 GFADRO CCS(=O)(=O)N(C)CCC[NH2+][C@@H]1CCc2c1c(Br)ccc2F ZINC000179310915 552189570 /nfs/dbraw/zinc/18/95/70/552189570.db2.gz YLRWNGFGDUQTEY-CQSZACIVSA-N 1 0 393.322 2.837 20 0 GFADRO O=C(Nc1cnn(-c2ccccc2Br)c1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000179368736 552191109 /nfs/dbraw/zinc/19/11/09/552191109.db2.gz DAFZZAFMJWKMAU-CQSZACIVSA-N 1 0 390.285 2.947 20 0 GFADRO C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000179435037 552193576 /nfs/dbraw/zinc/19/35/76/552193576.db2.gz JAZBJTLLPBRCSA-TZMCWYRMSA-N 1 0 377.286 2.721 20 0 GFADRO CNC(=O)[C@H]1CCC[N@H+](Cc2cnn(-c3ccc(Br)cc3)c2)C1 ZINC000179617357 552197602 /nfs/dbraw/zinc/19/76/02/552197602.db2.gz ZKJQCXCTLDXNFX-AWEZNQCLSA-N 1 0 377.286 2.593 20 0 GFADRO CC(C)Oc1ccc(S(=O)(=O)NCCN2CCc3sccc3C2)cc1 ZINC000179870272 552205605 /nfs/dbraw/zinc/20/56/05/552205605.db2.gz SITBOCYYUIPDQQ-UHFFFAOYSA-N 1 0 380.535 2.872 20 0 GFADRO Cc1cc(Br)cc(CN(C)[C@H]2CCS(=O)(=O)C2)c1OC(F)F ZINC000179866340 552205611 /nfs/dbraw/zinc/20/56/11/552205611.db2.gz OYWAOUBRAUMWKD-LBPRGKRZSA-N 1 0 398.269 2.978 20 0 GFADRO C[C@H]([NH2+]C[C@H](c1ccccc1Cl)N(C)C)c1ccc(S(N)(=O)=O)cc1 ZINC000179973088 552208459 /nfs/dbraw/zinc/20/84/59/552208459.db2.gz JGVHXQMDKMUKJB-SCLBCKFNSA-N 1 0 381.929 2.941 20 0 GFADRO CCO[C@@H](CC[NH+](C)C)CNC(=O)C[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000180139556 552214548 /nfs/dbraw/zinc/21/45/48/552214548.db2.gz CIPZRYVWVRJVLB-JKSUJKDBSA-N 1 0 377.312 2.890 20 0 GFADRO Cc1cc(Br)cc(C[N@@H+](C)CC(C)(CO)CO)c1OC(F)F ZINC000180172593 552215870 /nfs/dbraw/zinc/21/58/70/552215870.db2.gz YWQLXHOOLFOPKH-UHFFFAOYSA-N 1 0 382.245 2.782 20 0 GFADRO CC(=O)N1CC[C@@H](C[N@@H+](C)Cc2cc3c(cc2Br)OCCCO3)C1 ZINC000180171974 552216274 /nfs/dbraw/zinc/21/62/74/552216274.db2.gz OAQUEFQOXGFFNF-AWEZNQCLSA-N 1 0 397.313 2.911 20 0 GFADRO CS(=O)(=O)N1CC[C@@H](C[NH2+][C@@H](c2ccc(Br)cc2)C2CC2)C1 ZINC000180202632 552217508 /nfs/dbraw/zinc/21/75/08/552217508.db2.gz UNIWNGHYFOEIDY-BLLLJJGKSA-N 1 0 387.343 2.771 20 0 GFADRO O=C(c1cncc(Br)c1)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000180309745 552222249 /nfs/dbraw/zinc/22/22/49/552222249.db2.gz AXMFZIANZYBMQS-UHFFFAOYSA-N 1 0 396.329 2.809 20 0 GFADRO CC1CCN(C(=O)C[NH2+]C(C)(C)COc2ncccc2Br)CC1 ZINC000180394391 552225125 /nfs/dbraw/zinc/22/51/25/552225125.db2.gz WGPZKEJTEBVBPR-UHFFFAOYSA-N 1 0 384.318 2.850 20 0 GFADRO CCS(=O)(=O)C[C@H](C)[NH2+][C@@H](C)CC(=O)Nc1ccc(Br)cc1 ZINC000180824271 552236461 /nfs/dbraw/zinc/23/64/61/552236461.db2.gz ZZYGOMPDMFIDJV-RYUDHWBXSA-N 1 0 391.331 2.579 20 0 GFADRO CCS(=O)(=O)C[C@H](C)[NH2+][C@H](C)CC(=O)Nc1cccc(Br)c1 ZINC000180824612 552236633 /nfs/dbraw/zinc/23/66/33/552236633.db2.gz JORIHZOGDAKSMR-NEPJUHHUSA-N 1 0 391.331 2.579 20 0 GFADRO C[C@H](Cn1cc(Br)cn1)[NH2+]CCc1nc2cc(F)ccc2n1C ZINC000181003211 552242573 /nfs/dbraw/zinc/24/25/73/552242573.db2.gz FOUNJQNDKFGNKS-LLVKDONJSA-N 1 0 380.265 2.892 20 0 GFADRO CC(C)CS(=O)(=O)N1CCC([NH2+]Cc2cccc(OC(F)F)c2)CC1 ZINC000181112155 552246864 /nfs/dbraw/zinc/24/68/64/552246864.db2.gz PYYUGIICYDWDKR-UHFFFAOYSA-N 1 0 376.469 2.828 20 0 GFADRO Cc1nc(Br)ccc1NC(=O)NC[C@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000181318867 552252913 /nfs/dbraw/zinc/25/29/13/552252913.db2.gz YSCGNXLNUFJPDN-OAHLLOKOSA-N 1 0 398.349 2.546 20 0 GFADRO COc1ccc(CC[C@@H](C)[NH2+]CCN(C)S(=O)(=O)c2cccs2)cc1 ZINC000181501561 552258211 /nfs/dbraw/zinc/25/82/11/552258211.db2.gz PZYHSSCRQJULPH-OAHLLOKOSA-N 1 0 382.551 2.988 20 0 GFADRO CC(C)([NH2+]C[C@H]1CCCN(S(C)(=O)=O)C1)c1ccccc1Br ZINC000181518643 552259227 /nfs/dbraw/zinc/25/92/27/552259227.db2.gz PNEKWUPOKVCKDE-CYBMUJFWSA-N 1 0 389.359 2.945 20 0 GFADRO C[C@H]1CCC[C@@H]([NH+]2CCC(NCCNS(=O)(=O)c3cccs3)CC2)C1 ZINC000181533450 552260056 /nfs/dbraw/zinc/26/00/56/552260056.db2.gz LSRJVPZLAVIAAK-DOTOQJQBSA-N 1 0 385.599 2.659 20 0 GFADRO COc1ccc([C@H](C)[C@H](C)[NH2+]C[C@H](O)CS(=O)(=O)c2cccs2)cc1 ZINC000181634585 552262951 /nfs/dbraw/zinc/26/29/51/552262951.db2.gz BOCGGJLNQKMBLR-YCPHGPKFSA-N 1 0 383.535 2.673 20 0 GFADRO C[N@@H+]1CCCN(C(=O)Nc2cnn(-c3ccccc3Br)c2)CC1 ZINC000181637640 552263586 /nfs/dbraw/zinc/26/35/86/552263586.db2.gz ZFZVUSIYOWUEGE-UHFFFAOYSA-N 1 0 378.274 2.804 20 0 GFADRO C[N@H+](CCCO)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)CC1 ZINC000181655021 552264034 /nfs/dbraw/zinc/26/40/34/552264034.db2.gz HBGXWJLGFXQONF-UHFFFAOYSA-N 1 0 395.352 2.602 20 0 GFADRO COC(=O)c1ccc(C[NH2+][C@@H](C)Cn2cc(Br)cn2)cc1OC ZINC000181686277 552265293 /nfs/dbraw/zinc/26/52/93/552265293.db2.gz LLNYHDHRJXYXHI-NSHDSACASA-N 1 0 382.258 2.619 20 0 GFADRO C[C@H]([NH2+][C@@H](CC(N)=O)C1CCOCC1)C(=O)Nc1cc(Cl)ccc1Cl ZINC000181947242 552271630 /nfs/dbraw/zinc/27/16/30/552271630.db2.gz JFPSXKAOSWOFBW-HZMBPMFUSA-N 1 0 388.295 2.581 20 0 GFADRO C[C@@H]([NH2+]CC(=O)NCc1ccc(Cl)s1)c1ccc(-n2ccnn2)cc1 ZINC000182023106 552273132 /nfs/dbraw/zinc/27/31/32/552273132.db2.gz KIOIVNWDFXHGMT-GFCCVEGCSA-N 1 0 375.885 2.949 20 0 GFADRO C[C@H](CC(=O)OC(C)(C)C)[NH2+]CCNC(=O)c1ccc(Br)cc1 ZINC000182567770 552287576 /nfs/dbraw/zinc/28/75/76/552287576.db2.gz BWDFFZNKVNVMJB-GFCCVEGCSA-N 1 0 385.302 2.889 20 0 GFADRO CS(=O)(=O)[C@H]1CCCC[C@@H]1[NH2+]Cc1cc2c(c(Br)c1)OCO2 ZINC000182612116 552288796 /nfs/dbraw/zinc/28/87/96/552288796.db2.gz HBGDAMWPHHTZNQ-JSGCOSHPSA-N 1 0 390.299 2.623 20 0 GFADRO CS(=O)(=O)[C@H]1CCCC[C@H]1[NH2+]C[C@H](O)COc1cccc(Cl)c1Cl ZINC000182608742 552289055 /nfs/dbraw/zinc/28/90/55/552289055.db2.gz RYGRNHQGWMBRLI-LNSITVRQSA-N 1 0 396.336 2.679 20 0 GFADRO CS(=O)(=O)[C@H]1CCCC[C@H]1[NH2+]CCOc1cccc(Br)c1 ZINC000182653754 552290272 /nfs/dbraw/zinc/29/02/72/552290272.db2.gz QJBYFWXIRQASPD-CABCVRRESA-N 1 0 376.316 2.773 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2ccc(OCC(F)F)cc2)[C@H](C)C1 ZINC000182699779 552290522 /nfs/dbraw/zinc/29/05/22/552290522.db2.gz RTGWHIDNHZVXRP-CJNGLKHVSA-N 1 0 376.469 2.681 20 0 GFADRO Cc1cc([C@H](C)[NH2+]CC(=O)Nc2ccc(C)c(S(N)(=O)=O)c2)c(C)s1 ZINC000182754359 552292360 /nfs/dbraw/zinc/29/23/60/552292360.db2.gz JJRYXEZBUOKVRD-LBPRGKRZSA-N 1 0 381.523 2.610 20 0 GFADRO CN(C(=O)c1ncc(Br)cc1Br)C1CC[NH+](C)CC1 ZINC000184018880 552325806 /nfs/dbraw/zinc/32/58/06/552325806.db2.gz DBTLPYUCYKHIEL-UHFFFAOYSA-N 1 0 391.107 2.773 20 0 GFADRO Cc1cc(Br)ccc1C(=O)NC(C)(C)CC[NH+]1CCN(C)CC1 ZINC000184196252 552329228 /nfs/dbraw/zinc/32/92/28/552329228.db2.gz QYMRLZMROJSHNZ-UHFFFAOYSA-N 1 0 382.346 2.903 20 0 GFADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)[C@@H](C)c1ccc(Br)cc1 ZINC000184395751 552334452 /nfs/dbraw/zinc/33/44/52/552334452.db2.gz YTYBDOMERSJLIU-GJZGRUSLSA-N 1 0 382.346 2.695 20 0 GFADRO CCN(CCO)CC[NH2+]Cc1c(C)nn(-c2ccc(Br)cc2)c1C ZINC000184537550 552338051 /nfs/dbraw/zinc/33/80/51/552338051.db2.gz RRLYWOBDYCCMTM-UHFFFAOYSA-N 1 0 395.345 2.655 20 0 GFADRO Cn1nc(CC[NH2+][C@H](C(N)=O)c2cccc(Br)c2)c2ccccc21 ZINC000184669646 552341878 /nfs/dbraw/zinc/34/18/78/552341878.db2.gz RLQHYAWFJQWEQK-KRWDZBQOSA-N 1 0 387.281 2.695 20 0 GFADRO C[NH+](C)CCCNC(=O)C(=O)Nc1ccc(Br)c(Cl)c1Cl ZINC000185495216 552364620 /nfs/dbraw/zinc/36/46/20/552364620.db2.gz RWZYZSKXMKUDBF-UHFFFAOYSA-N 1 0 397.100 2.762 20 0 GFADRO CN(C[C@@H](O)C(F)(F)F)C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000185805703 552371638 /nfs/dbraw/zinc/37/16/38/552371638.db2.gz NGPDNMWXHYZAIF-CQSZACIVSA-N 1 0 379.448 2.525 20 0 GFADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)N(C)Cc1ccc(Br)cc1 ZINC000186112125 552379202 /nfs/dbraw/zinc/37/92/02/552379202.db2.gz SYRGKOCZCMBPBO-HNNXBMFYSA-N 1 0 397.361 2.617 20 0 GFADRO CN(CC[N@H+](C)C1CC1)C(=O)c1cn(-c2ccc(Br)cc2)cn1 ZINC000186748284 552396238 /nfs/dbraw/zinc/39/62/38/552396238.db2.gz JEIGRMZKSXXKLN-UHFFFAOYSA-N 1 0 377.286 2.801 20 0 GFADRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)CCc1ccccc1Br ZINC000186917043 552401356 /nfs/dbraw/zinc/40/13/56/552401356.db2.gz DSCRAACVYHACIA-AWEZNQCLSA-N 1 0 383.330 2.685 20 0 GFADRO COc1cc(Br)ccc1CNC(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000187055954 552405271 /nfs/dbraw/zinc/40/52/71/552405271.db2.gz KVNYTZPRERKOBI-CYBMUJFWSA-N 1 0 384.318 2.989 20 0 GFADRO COc1cc(Br)ccc1CNC(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000187048580 552405280 /nfs/dbraw/zinc/40/52/80/552405280.db2.gz PEXYTRUWNYVRMT-GFCCVEGCSA-N 1 0 382.302 2.741 20 0 GFADRO CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]CCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000187106822 552406626 /nfs/dbraw/zinc/40/66/26/552406626.db2.gz KNPAVNUHZSXPMJ-GASCZTMLSA-N 1 0 388.961 2.723 20 0 GFADRO Cc1cc(Br)cc(S(=O)(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000187316191 552412434 /nfs/dbraw/zinc/41/24/34/552412434.db2.gz JPUCUSUJGLCXKC-AWEZNQCLSA-N 1 0 387.343 2.864 20 0 GFADRO Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+][C@@H](C)C1CCS(=O)(=O)CC1 ZINC000187531166 552418330 /nfs/dbraw/zinc/41/83/30/552418330.db2.gz ZJDTVSDPYBUYIV-QWRGUYRKSA-N 1 0 381.464 2.926 20 0 GFADRO Cc1cc(C2CC[NH+](CC(=O)N3CCOCC3)CC2)ccc1Br ZINC000188201029 552439034 /nfs/dbraw/zinc/43/90/34/552439034.db2.gz JAFVEIAPLRWQIM-UHFFFAOYSA-N 1 0 381.314 2.796 20 0 GFADRO COc1nc(C)c(Br)cc1C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000188226446 552439467 /nfs/dbraw/zinc/43/94/67/552439467.db2.gz BKVCXGQEASELOU-IUODEOHRSA-N 1 0 382.302 2.717 20 0 GFADRO CCC[C@H]1CN(C(=O)c2ccc(Br)cc2N)CC[N@@H+]1CCOC ZINC000188409983 552444552 /nfs/dbraw/zinc/44/45/52/552444552.db2.gz WCEMQJJEIAGEPV-AWEZNQCLSA-N 1 0 384.318 2.604 20 0 GFADRO O=C(NCc1ccc2c(c1)C[NH2+]C2)c1cc2c(c(Br)c1)OCO2 ZINC000188715301 552453076 /nfs/dbraw/zinc/45/30/76/552453076.db2.gz ZSVRHUIAEDLQAV-UHFFFAOYSA-N 1 0 375.222 2.711 20 0 GFADRO CCOc1c(Br)cc(C[N@H+](C)CC2(O)CCOCC2)cc1OC ZINC000188844828 552456472 /nfs/dbraw/zinc/45/64/72/552456472.db2.gz UKJRBMKLMZZFDD-UHFFFAOYSA-N 1 0 388.302 2.830 20 0 GFADRO CCc1nc2c(s1)[C@H]([NH2+]Cc1ccc(S(=O)(=O)CCO)cc1)CCC2 ZINC000189171146 552465241 /nfs/dbraw/zinc/46/52/41/552465241.db2.gz UNDNALZKZXRFLC-OAHLLOKOSA-N 1 0 380.535 2.639 20 0 GFADRO CO[C@@H]1C[NH2+][C@@H](C(=O)Nc2nc(-c3ccccc3)c(Br)s2)C1 ZINC000189291834 552468297 /nfs/dbraw/zinc/46/82/97/552468297.db2.gz DGKRJWWJLNWFFX-WDEREUQCSA-N 1 0 382.283 2.888 20 0 GFADRO COC[C@H]1C[N@H+](CCC(=O)Nc2ccc(Br)cc2F)C[C@@H](C)O1 ZINC000189433985 552471494 /nfs/dbraw/zinc/47/14/94/552471494.db2.gz CVUHFAVQEPAHHI-DGCLKSJQSA-N 1 0 389.265 2.653 20 0 GFADRO C[NH+](C)C[C@](C)(O)CNC(=O)C(C)(C)COc1cc(Cl)cc(Cl)c1 ZINC000189721090 552478300 /nfs/dbraw/zinc/47/83/00/552478300.db2.gz JBGJXRXJGZDYAY-QGZVFWFLSA-N 1 0 377.312 2.827 20 0 GFADRO CC(C)c1cc(Br)ccc1NC(=O)C(=O)N1CC[NH+]2CCC1CC2 ZINC000189786813 552479774 /nfs/dbraw/zinc/47/97/74/552479774.db2.gz LGIAJRPKYLTMHV-UHFFFAOYSA-N 1 0 394.313 2.818 20 0 GFADRO CCN(CCC[NH+](C)C)C(=O)C(=O)Nc1cc(F)c(Br)cc1C ZINC000189817210 552480209 /nfs/dbraw/zinc/48/02/09/552480209.db2.gz VFRYZRQZQRSMCJ-UHFFFAOYSA-N 1 0 388.281 2.635 20 0 GFADRO C[C@@H]([NH2+]CCOCC(F)(F)C(F)F)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000189852060 552481219 /nfs/dbraw/zinc/48/12/19/552481219.db2.gz CMBHIVUODDLEBN-SECBINFHSA-N 1 0 375.359 2.797 20 0 GFADRO C[NH+](C)CC1(CNC(=O)Nc2ccc(Cl)c(S(C)(=O)=O)c2)CCCC1 ZINC000189901674 552482063 /nfs/dbraw/zinc/48/20/63/552482063.db2.gz GZFSXJZMZANPJM-UHFFFAOYSA-N 1 0 387.933 2.987 20 0 GFADRO CCN(C[C@H](O)C(F)(F)F)C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000189974434 552484232 /nfs/dbraw/zinc/48/42/32/552484232.db2.gz HVKPBGMRRCBABT-JSGCOSHPSA-N 1 0 379.448 2.840 20 0 GFADRO Cc1cc(NC(=O)C(=O)NCC[N@H+]2CCC[C@H](C)C2)cc(C)c1Br ZINC000190310697 552492327 /nfs/dbraw/zinc/49/23/27/552492327.db2.gz SRWHMGJCLVWKLF-LBPRGKRZSA-N 1 0 396.329 2.853 20 0 GFADRO COCCN(C)S(=O)(=O)[C@H]1CCC[N@H+](Cc2cc3ccccc3s2)C1 ZINC000190371677 552494479 /nfs/dbraw/zinc/49/44/79/552494479.db2.gz FOMGCXAUUHJIHZ-KRWDZBQOSA-N 1 0 382.551 2.774 20 0 GFADRO COCCN(C)S(=O)(=O)[C@H]1CCCN([C@@H]2CCc3c2cccc3Cl)C1 ZINC000190375189 552494502 /nfs/dbraw/zinc/49/45/02/552494502.db2.gz OERILTQDFVDIQB-KBXCAEBGSA-N 1 0 386.945 2.700 20 0 GFADRO COc1cc(Br)ccc1[C@@H](C)[NH2+]CCCN1C(=O)NC(C)(C)C1=O ZINC000190457532 552497205 /nfs/dbraw/zinc/49/72/05/552497205.db2.gz MKHUPUDVFXTQAA-LLVKDONJSA-N 1 0 398.301 2.829 20 0 GFADRO CCN(C(=O)c1cc(Br)nn1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000190667064 552505184 /nfs/dbraw/zinc/50/51/84/552505184.db2.gz YTGRSZGOGUSYBN-OAHLLOKOSA-N 1 0 391.313 2.919 20 0 GFADRO CCS(=O)(=O)N1CC(C[NH2+][C@H](C)c2ccc(Br)cc2F)C1 ZINC000190682601 552505983 /nfs/dbraw/zinc/50/59/83/552505983.db2.gz INBGEHXRXOVUMK-SNVBAGLBSA-N 1 0 379.295 2.520 20 0 GFADRO O=C(NCCCC[N@H+]1CCC[C@H]1CO)C1(c2ccccc2Br)CC1 ZINC000190737307 552507501 /nfs/dbraw/zinc/50/75/01/552507501.db2.gz SAWPNIYKDLHHLU-HNNXBMFYSA-N 1 0 395.341 2.834 20 0 GFADRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)Nc1cc(Cl)c(F)c(Cl)c1 ZINC000190835089 552510649 /nfs/dbraw/zinc/51/06/49/552510649.db2.gz FWRYVTVAFOTKKN-RNCFNFMXSA-N 1 0 376.259 2.870 20 0 GFADRO COc1cc(C[NH2+][C@H]2CC[C@@H](OC)C2)cc(I)c1OC ZINC000190949641 552514585 /nfs/dbraw/zinc/51/45/85/552514585.db2.gz CRIBQBORDOSLPJ-NWDGAFQWSA-N 1 0 391.249 2.966 20 0 GFADRO Cc1csc(C(=O)N2CCC([N@H+](C)CCCO)CC2)c1Br ZINC000190991323 552515902 /nfs/dbraw/zinc/51/59/02/552515902.db2.gz XYOUGZXXKVOQKK-UHFFFAOYSA-N 1 0 375.332 2.738 20 0 GFADRO COC(=O)CNC(=O)CC[NH2+]C1(c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000191252031 552522649 /nfs/dbraw/zinc/52/26/49/552522649.db2.gz DREAADKTBQIDMM-UHFFFAOYSA-N 1 0 378.778 2.617 20 0 GFADRO Cc1cccc(CNC(=O)Nc2ccn(CC[NH+](C)C)n2)c1Br ZINC000191445530 552528462 /nfs/dbraw/zinc/52/84/62/552528462.db2.gz VRJNYTCWTDHUTO-UHFFFAOYSA-N 1 0 380.290 2.837 20 0 GFADRO Cc1c(Br)cccc1CC(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000191642331 552534241 /nfs/dbraw/zinc/53/42/41/552534241.db2.gz QMNBTIAUNDDFSH-OKILXGFUSA-N 1 0 383.330 2.916 20 0 GFADRO COC(=O)[C@H]1CC[N@H+](CCC(=O)Nc2ccccc2Br)C[C@H]1C ZINC000191866834 552540710 /nfs/dbraw/zinc/54/07/10/552540710.db2.gz BYMIURWYGOAJGD-OLZOCXBDSA-N 1 0 383.286 2.909 20 0 GFADRO Cc1cc(S(=O)(=O)N2CCC[C@@H]2CN2C[C@@H](C)O[C@@H](C)C2)sc1Cl ZINC000191912495 552542169 /nfs/dbraw/zinc/54/21/69/552542169.db2.gz YUZIOLPAAGDDCH-HZSPNIEDSA-N 1 0 392.974 2.972 20 0 GFADRO Cn1nc(Br)cc1C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000192054179 552547774 /nfs/dbraw/zinc/54/77/74/552547774.db2.gz ZKBGWEZNSAYHGV-AWEZNQCLSA-N 1 0 383.334 2.911 20 0 GFADRO Cc1c([C@H](C)[NH2+][C@H]2CCN(c3cccc(Br)c3)C2=O)cnn1C ZINC000192076407 552549348 /nfs/dbraw/zinc/54/93/48/552549348.db2.gz VCBMQLLWQDXIDL-ZBEGNZNMSA-N 1 0 377.286 2.947 20 0 GFADRO C[C@@H]1CCN(C(=O)c2cc(Br)nn2C)CC[N@@H+]1Cc1ccccc1 ZINC000192140562 552552776 /nfs/dbraw/zinc/55/27/76/552552776.db2.gz VLZZZFLQEYTSHA-CQSZACIVSA-N 1 0 391.313 2.919 20 0 GFADRO CCS(=O)(=O)CCCCC[NH2+][C@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)cc1 ZINC000192155413 552553476 /nfs/dbraw/zinc/55/34/76/552553476.db2.gz ACFJJDNZTHURNK-WMZOPIPTSA-N 1 0 386.945 2.806 20 0 GFADRO CN(C)C(=O)[C@H]1CC[C@@H](C[NH2+]Cc2ccc(Br)c(Cl)c2)O1 ZINC000192206350 552555746 /nfs/dbraw/zinc/55/57/46/552555746.db2.gz SUGWGVWVAYMOBJ-SMDDNHRTSA-N 1 0 375.694 2.828 20 0 GFADRO CN([C@H]1CCCN(C)C1)S(=O)(=O)c1ccc(Cl)c(Br)c1 ZINC000192215200 552556381 /nfs/dbraw/zinc/55/63/81/552556381.db2.gz RJPMAIGFQBONGH-JTQLQIEISA-N 1 0 381.723 2.817 20 0 GFADRO CC(C)[C@@](C)([NH2+]Cc1cc(=O)n(C)c(=O)n1C)c1ccc(Br)cc1 ZINC000192372417 552560983 /nfs/dbraw/zinc/56/09/83/552560983.db2.gz DXEMEPGJHPVHAU-GOSISDBHSA-N 1 0 394.313 2.508 20 0 GFADRO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)c1ncc(Br)s1 ZINC000192442558 552564077 /nfs/dbraw/zinc/56/40/77/552564077.db2.gz GEUVJTPYNNYBEE-UHFFFAOYSA-N 1 0 381.299 2.947 20 0 GFADRO COc1cc(NC(=O)C(=O)NC[C@H](c2cccs2)[NH+](C)C)ccc1Cl ZINC000192500108 552565798 /nfs/dbraw/zinc/56/57/98/552565798.db2.gz CSANMRXMEIRARX-CYBMUJFWSA-N 1 0 381.885 2.768 20 0 GFADRO C[C@@H]([NH2+][C@H](C)c1ccc(S(N)(=O)=O)cc1)C(=O)Nc1ccc(Cl)cc1 ZINC000192657016 552568320 /nfs/dbraw/zinc/56/83/20/552568320.db2.gz CCHMFHGJIFJLJS-VXGBXAGGSA-N 1 0 381.885 2.665 20 0 GFADRO C[C@@H]1COCCN1CC[NH2+]C1(c2ccc(Br)cc2)CCOCC1 ZINC000192752030 552973138 /nfs/dbraw/zinc/97/31/38/552973138.db2.gz YZUKBISNONFZJQ-OAHLLOKOSA-N 1 0 383.330 2.765 20 0 GFADRO COc1cc(Cl)c(S(=O)(=O)NC[C@H](C)[NH+]2CCC(C)CC2)cc1OC ZINC000192816643 552974478 /nfs/dbraw/zinc/97/44/78/552974478.db2.gz JSVWPQKGNJDSKX-ZDUSSCGKSA-N 1 0 390.933 2.756 20 0 GFADRO COc1cc(Cl)c(S(=O)(=O)N(CC[NH+](C)C)C2CCCC2)cc1OC ZINC000192822790 552975042 /nfs/dbraw/zinc/97/50/42/552975042.db2.gz VWRPHHHFXUONNU-UHFFFAOYSA-N 1 0 390.933 2.852 20 0 GFADRO C[NH2+]C1CCN(S(=O)(=O)c2ccc3cc(Br)ccc3c2)CC1 ZINC000193272912 552988297 /nfs/dbraw/zinc/98/82/97/552988297.db2.gz GGAMYYHAVDCQGR-UHFFFAOYSA-N 1 0 383.311 2.975 20 0 GFADRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)CCC[S@@](=O)c1ccc(Br)cc1 ZINC000193529548 552995665 /nfs/dbraw/zinc/99/56/65/552995665.db2.gz SFLFGUNYERNYBU-FIKRCHLTSA-N 1 0 387.343 2.594 20 0 GFADRO CC[NH+](CC)CCN(C(=O)Nc1cccc(Cl)c1)[C@H]1CCS(=O)(=O)C1 ZINC000193612175 552998704 /nfs/dbraw/zinc/99/87/04/552998704.db2.gz NUISPEUCRMHSEA-INIZCTEOSA-N 1 0 387.933 2.703 20 0 GFADRO C=Cn1cc(C[NH2+][C@H]2CCN(c3ccc(Br)c(C)c3)C2=O)cn1 ZINC000194419096 553020164 /nfs/dbraw/zinc/02/01/64/553020164.db2.gz XFWVZJOMSDVVQV-INIZCTEOSA-N 1 0 375.270 2.950 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)NC1CCN(CC(F)(F)F)CC1)c1cccs1 ZINC000194851571 553031793 /nfs/dbraw/zinc/03/17/93/553031793.db2.gz DPTOJFAPBYHJKP-ZDUSSCGKSA-N 1 0 378.464 2.677 20 0 GFADRO O=C(C[C@@H]1Sc2ccc(Cl)cc2NC1=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000195073517 553037253 /nfs/dbraw/zinc/03/72/53/553037253.db2.gz ZLBKAQHAITZNMT-CJNGLKHVSA-N 1 0 379.913 2.840 20 0 GFADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)NCc2ccccc2Br)C1 ZINC000195071667 553037378 /nfs/dbraw/zinc/03/73/78/553037378.db2.gz DDCSIGYFDYZCGJ-HNNXBMFYSA-N 1 0 384.318 2.605 20 0 GFADRO CS(=O)(=O)c1ccc2nc(NC(=O)C3CC[NH+](C4CC4)CC3)sc2c1 ZINC000195219133 553041379 /nfs/dbraw/zinc/04/13/79/553041379.db2.gz BWRRQPFHBDRBEO-UHFFFAOYSA-N 1 0 379.507 2.513 20 0 GFADRO CCCN(CC[NH+](C)C)C(=O)c1ccc(F)cc1I ZINC000222367520 553055485 /nfs/dbraw/zinc/05/54/85/553055485.db2.gz SUCDTFUWTVEMPM-UHFFFAOYSA-N 1 0 378.229 2.844 20 0 GFADRO COc1cc(Br)c(C[NH2+]CCN2CCSCC2)cc1OC ZINC000226246113 553061312 /nfs/dbraw/zinc/06/13/12/553061312.db2.gz GENFHCILLBYUMJ-UHFFFAOYSA-N 1 0 375.332 2.605 20 0 GFADRO CC(C)(C[NH2+]Cc1cc(Br)c(Cl)s1)NS(C)(=O)=O ZINC000227832577 553063416 /nfs/dbraw/zinc/06/34/16/553063416.db2.gz DTGCORNVMZQRCK-UHFFFAOYSA-N 1 0 375.741 2.581 20 0 GFADRO C[C@@]1(CNC(=O)c2ccc(F)cc2I)CCC[NH2+]C1 ZINC000230067647 553064362 /nfs/dbraw/zinc/06/43/62/553064362.db2.gz VBLVSMIYEWOSGS-CQSZACIVSA-N 1 0 376.213 2.550 20 0 GFADRO O=C(NCCSCCOc1cccc(Br)c1)C1CC[NH2+]CC1 ZINC000236636815 553069609 /nfs/dbraw/zinc/06/96/09/553069609.db2.gz JGLQUBXXVXVKGV-UHFFFAOYSA-N 1 0 387.343 2.677 20 0 GFADRO O=C(NC[C@H]1CCCC[NH2+]1)C1(c2ccc(Br)cc2)CCOCC1 ZINC000236676902 553070335 /nfs/dbraw/zinc/07/03/35/553070335.db2.gz MBYUXPMMFOXCKQ-MRXNPFEDSA-N 1 0 381.314 2.756 20 0 GFADRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)c1cc(=O)[nH]c2c(Br)cccc12 ZINC000236771077 553070958 /nfs/dbraw/zinc/07/09/58/553070958.db2.gz GLLGUDXBVYOBQS-AWEZNQCLSA-N 1 0 380.286 2.736 20 0 GFADRO O=C(C[NH2+]CC1=Cc2cc(Br)ccc2OC1)NCc1ccco1 ZINC000236756636 553071088 /nfs/dbraw/zinc/07/10/88/553071088.db2.gz JTBRZLRRMOSESQ-UHFFFAOYSA-N 1 0 377.238 2.724 20 0 GFADRO CCCC[C@H]([NH3+])C(=O)Nc1nc(-c2ccc(NS(C)(=O)=O)cc2)cs1 ZINC000236863444 553072045 /nfs/dbraw/zinc/07/20/45/553072045.db2.gz XIFDAANGEOSUGY-ZDUSSCGKSA-N 1 0 382.511 2.638 20 0 GFADRO CC[NH2+]Cc1ccccc1NC(=O)CN(C)C(=O)c1ccc(Br)o1 ZINC000237043476 553073478 /nfs/dbraw/zinc/07/34/78/553073478.db2.gz XSOLAIAWRBVTMX-UHFFFAOYSA-N 1 0 394.269 2.862 20 0 GFADRO CCOc1cc(Br)c(CC(=O)NC[C@@H](C)C[NH2+]C)cc1OCC ZINC000237029152 553073693 /nfs/dbraw/zinc/07/36/93/553073693.db2.gz PAVGRGWLQBNJPV-LBPRGKRZSA-N 1 0 387.318 2.761 20 0 GFADRO CCS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC([NH2+]CC3CC3)CC2)c1 ZINC000237084671 553074149 /nfs/dbraw/zinc/07/41/49/553074149.db2.gz HRWCRTYWDSQWLB-UHFFFAOYSA-N 1 0 384.929 2.738 20 0 GFADRO CCOc1ccc(Br)cc1NC(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC000237076599 553074175 /nfs/dbraw/zinc/07/41/75/553074175.db2.gz BLMSPMOWRXSKSJ-UHFFFAOYSA-N 1 0 394.273 2.616 20 0 GFADRO CCS(=O)(=O)c1ccc(Sc2ccccc2C(=O)NCC[NH2+]C)cc1 ZINC000237082192 553074184 /nfs/dbraw/zinc/07/41/84/553074184.db2.gz GCUKXPOHPKVQOY-UHFFFAOYSA-N 1 0 378.519 2.581 20 0 GFADRO CCc1c(C(=O)N2CCC[NH2+]CC2)cnn1-c1ccc(Br)cc1 ZINC000237092883 553074453 /nfs/dbraw/zinc/07/44/53/553074453.db2.gz XLABTNMLEVAZTR-UHFFFAOYSA-N 1 0 377.286 2.633 20 0 GFADRO CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)[C@@H]1CCCC[NH2+]1 ZINC000237103109 553074826 /nfs/dbraw/zinc/07/48/26/553074826.db2.gz ZOBOWRUNFPJJBD-ZDUSSCGKSA-N 1 0 377.794 2.898 20 0 GFADRO COc1ccc(Br)cc1C(=O)CCC(=O)N1CC[C@@H]([NH3+])C[C@H]1C ZINC000237109976 553074869 /nfs/dbraw/zinc/07/48/69/553074869.db2.gz JRTNACKVSPMGKC-DGCLKSJQSA-N 1 0 383.286 2.759 20 0 GFADRO CN(C(=O)Cc1cccc(I)c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000237212362 553075981 /nfs/dbraw/zinc/07/59/81/553075981.db2.gz CRIOITOOXPPKPB-YIONKMFJSA-N 1 0 384.261 2.575 20 0 GFADRO COC(=O)C[C@H](NC(=O)CCC1CC[NH2+]CC1)c1cccc(Br)c1 ZINC000237216572 553076089 /nfs/dbraw/zinc/07/60/89/553076089.db2.gz COCLNZLVDIYXKQ-INIZCTEOSA-N 1 0 397.313 2.949 20 0 GFADRO C[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000237307982 553076572 /nfs/dbraw/zinc/07/65/72/553076572.db2.gz JDVLDTHBOOIOEX-TZMCWYRMSA-N 1 0 386.323 2.817 20 0 GFADRO COc1cc(CNC(=O)[C@H](C[NH3+])c2ccccc2)cc(Br)c1OC ZINC000237352998 553076948 /nfs/dbraw/zinc/07/69/48/553076948.db2.gz NKIVBQSRZXFBDH-CQSZACIVSA-N 1 0 393.281 2.825 20 0 GFADRO C[NH2+]CCN(C)C(=O)c1nn(-c2cccc(Br)c2)c2c1CCCC2 ZINC000237373444 553077238 /nfs/dbraw/zinc/07/72/38/553077238.db2.gz ADKLJASMGRXAGI-UHFFFAOYSA-N 1 0 391.313 2.805 20 0 GFADRO O=C(C[NH2+]C[C@@H]1CCCO1)NCCOc1c(Cl)cc(Cl)cc1Cl ZINC000237697814 553080718 /nfs/dbraw/zinc/08/07/18/553080718.db2.gz JRAJJKVYGSGYOO-NSHDSACASA-N 1 0 381.687 2.910 20 0 GFADRO C[C@H]1CN(C(=O)Cc2csc(-c3cc(Br)cs3)n2)CC[NH2+]1 ZINC000237749117 553080988 /nfs/dbraw/zinc/08/09/88/553080988.db2.gz KGZHISXCKMMLHI-VIFPVBQESA-N 1 0 386.340 2.997 20 0 GFADRO O=C(NCCc1ccc(F)c(Br)c1)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000237752068 553081168 /nfs/dbraw/zinc/08/11/68/553081168.db2.gz HJAYRZOUVLAOBZ-QGZVFWFLSA-N 1 0 377.257 2.961 20 0 GFADRO O=S(=O)(c1cccc(OC(F)(F)F)c1)N1CCC([NH2+]CC2CC2)CC1 ZINC000237752358 553081239 /nfs/dbraw/zinc/08/12/39/553081239.db2.gz GAWXOSJENYLKBR-UHFFFAOYSA-N 1 0 378.416 2.738 20 0 GFADRO [NH3+]C1(CNC(=O)[C@H]2CSCN2C(=O)c2ccc(Cl)cc2)CCCCC1 ZINC000237759727 553081585 /nfs/dbraw/zinc/08/15/85/553081585.db2.gz FRESQQMCCJEMOF-OAHLLOKOSA-N 1 0 381.929 2.633 20 0 GFADRO [NH3+]C1(CNC(=O)[C@@H]2CCN(c3cccc(Br)c3)C2=O)CCCCC1 ZINC000237756453 553081705 /nfs/dbraw/zinc/08/17/05/553081705.db2.gz CIRTTXJYJKFJRJ-HNNXBMFYSA-N 1 0 394.313 2.580 20 0 GFADRO [NH3+]C1CCN(C(=O)c2cccc(NC(=O)c3ccc(Br)o3)c2)CC1 ZINC000237851047 553082790 /nfs/dbraw/zinc/08/27/90/553082790.db2.gz JPXLQYPUYFEBEP-UHFFFAOYSA-N 1 0 392.253 2.858 20 0 GFADRO [NH3+]CCCOC1CCN(S(=O)(=O)Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000237825897 553082929 /nfs/dbraw/zinc/08/29/29/553082929.db2.gz WJDQVCMVWJPCQO-UHFFFAOYSA-N 1 0 381.325 2.653 20 0 GFADRO Cc1c(C(=O)N[C@@](C)(C[NH3+])C2CC2)cnn1-c1cccc(Br)c1 ZINC000237836056 553083051 /nfs/dbraw/zinc/08/30/51/553083051.db2.gz MPOPSMDZGYBDKW-KRWDZBQOSA-N 1 0 377.286 2.800 20 0 GFADRO Cn1cnnc1Sc1ccc(NC(=O)C[C@@H]2CSCC[NH2+]2)cc1Cl ZINC000237949659 553083837 /nfs/dbraw/zinc/08/38/37/553083837.db2.gz OUCIEFUSTMLDLE-LLVKDONJSA-N 1 0 383.930 2.653 20 0 GFADRO [NH3+][C@@H]1CC[C@H](C(=O)N2CCC(C(=O)Nc3ccc(Br)cc3)CC2)C1 ZINC000237953013 553084000 /nfs/dbraw/zinc/08/40/00/553084000.db2.gz UPDZRFZIBMBPRE-DZGCQCFKSA-N 1 0 394.313 2.754 20 0 GFADRO O[C@@H](C[NH2+]C1CCCCC1)COc1ccc(I)cc1 ZINC000238014135 553085310 /nfs/dbraw/zinc/08/53/10/553085310.db2.gz CFYLTJQNEATIPR-AWEZNQCLSA-N 1 0 375.250 2.953 20 0 GFADRO [NH3+]C[C@@H]1CCCN(C(=O)CCC[S@](=O)c2ccc(Br)cc2)C1 ZINC000238058935 553085755 /nfs/dbraw/zinc/08/57/55/553085755.db2.gz YBAAHNMPTCPKCY-XMHCIUCPSA-N 1 0 387.343 2.534 20 0 GFADRO CC[C@@H](C)[N@H+](C)CCNC(=O)NC[C@@H](O)COc1cccc(Cl)c1Cl ZINC000245392709 553089270 /nfs/dbraw/zinc/08/92/70/553089270.db2.gz BNZYLIUYOHDOKD-CHWSQXEVSA-N 1 0 392.327 2.763 20 0 GFADRO CC[N@@H+]1CC[C@H](CNC(=O)[C@]23CCC(=O)N2c2cc(Cl)ccc2S3)C1 ZINC000245203921 553089299 /nfs/dbraw/zinc/08/92/99/553089299.db2.gz NXFMLLPDNQRTIV-KZULUSFZSA-N 1 0 379.913 2.727 20 0 GFADRO COc1ccc(Br)cc1[C@@H]1CCC[N@@H+]1C[C@@H](O)Cn1cccn1 ZINC000245200372 553089474 /nfs/dbraw/zinc/08/94/74/553089474.db2.gz ZWVXUISJDAOVMX-ZBFHGGJFSA-N 1 0 380.286 2.852 20 0 GFADRO NC(=O)[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)c1cccc(Br)c1 ZINC000245670511 553095210 /nfs/dbraw/zinc/09/52/10/553095210.db2.gz JTRSJUPMBBOSMM-ZJIFWQFVSA-N 1 0 379.298 2.913 20 0 GFADRO O=C(NC[C@H]1CC[N@H+](CCc2ccccc2)C1)NC[C@H]1CSCCS1 ZINC000245917311 553098962 /nfs/dbraw/zinc/09/89/62/553098962.db2.gz YQUXODKNEMMCCD-MSOLQXFVSA-N 1 0 379.595 2.699 20 0 GFADRO CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H](O)COc1cccc(Cl)c1Cl ZINC000245889998 553099161 /nfs/dbraw/zinc/09/91/61/553099161.db2.gz FTOULAVOOQZVTC-OCCSQVGLSA-N 1 0 375.296 2.724 20 0 GFADRO CO[C@@H]1CCC[N@H+](C[C@@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000246130848 553102827 /nfs/dbraw/zinc/10/28/27/553102827.db2.gz PDRZZJGWHRBMKL-CHWSQXEVSA-N 1 0 378.694 2.953 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2ccccc2Br)[C@@H](C)C1 ZINC000246146213 553103311 /nfs/dbraw/zinc/10/33/11/553103311.db2.gz KTYULXRVWPVORV-JSGCOSHPSA-N 1 0 375.332 2.800 20 0 GFADRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)S(=O)(=O)c1cc(F)ccc1Br ZINC000246183823 553103822 /nfs/dbraw/zinc/10/38/22/553103822.db2.gz HJOTTXXQJKLAPK-GXFFZTMASA-N 1 0 379.295 2.549 20 0 GFADRO C[C@H](Cc1ccc(Br)cc1)NC(=O)N[C@@H](C)[C@H](C)N1CCOCC1 ZINC000246533261 553109039 /nfs/dbraw/zinc/10/90/39/553109039.db2.gz WQGVHTZYTIBNRC-ILXRZTDVSA-N 1 0 398.345 2.789 20 0 GFADRO C[C@H](Oc1cccc(Br)c1)C(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000246738737 553112271 /nfs/dbraw/zinc/11/22/71/553112271.db2.gz MUTPIHBDXIRHMO-KFWWJZLASA-N 1 0 399.329 2.832 20 0 GFADRO C[C@H](OC[C@H](O)CN([C@@H](C)CS(C)(=O)=O)C1CC1)c1ccc(Cl)cc1 ZINC000246758128 553112511 /nfs/dbraw/zinc/11/25/11/553112511.db2.gz AKIFMSNDEJAWAY-SUNYJGFJSA-N 1 0 389.945 2.676 20 0 GFADRO C[N@@H+]1CCC[C@@H]2CN(S(=O)(=O)Cc3cccc(C(F)(F)F)c3)CC[C@H]21 ZINC000246867851 553114353 /nfs/dbraw/zinc/11/43/53/553114353.db2.gz DHCRZFMLRISYKM-GDBMZVCRSA-N 1 0 376.444 2.951 20 0 GFADRO C[N@@H+]1CCC[C@H]2CN(S(=O)(=O)Cc3cccc(C(F)(F)F)c3)CC[C@H]21 ZINC000246867870 553114439 /nfs/dbraw/zinc/11/44/39/553114439.db2.gz DHCRZFMLRISYKM-GOEBONIOSA-N 1 0 376.444 2.951 20 0 GFADRO CN(CC(=O)N1CCC[C@@H](C(F)(F)F)C1)Cc1ccc([S@](C)=O)cc1 ZINC000247091904 553119039 /nfs/dbraw/zinc/11/90/39/553119039.db2.gz PVWCXLGZMSGDER-PWECECGKSA-N 1 0 376.444 2.657 20 0 GFADRO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(Br)c3c(c2)OCCO3)C1 ZINC000247275486 553120812 /nfs/dbraw/zinc/12/08/12/553120812.db2.gz KBTWKZCHFQIAAG-BXUZGUMPSA-N 1 0 383.286 2.679 20 0 GFADRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2S(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)C1 ZINC000247645044 553124603 /nfs/dbraw/zinc/12/46/03/553124603.db2.gz VKIAPCHBDPKBRI-XHDPSFHLSA-N 1 0 380.407 2.949 20 0 GFADRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3cc4c(c(Br)c3)OCO4)CC[C@H]21 ZINC000247986068 553127212 /nfs/dbraw/zinc/12/72/12/553127212.db2.gz IVDHYZRDDXSMAH-SMDDNHRTSA-N 1 0 381.270 2.734 20 0 GFADRO CC[NH+](CC)CCNC(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1 ZINC000248273983 553128310 /nfs/dbraw/zinc/12/83/10/553128310.db2.gz XMVAYJCQUMCZQU-UHFFFAOYSA-N 1 0 386.945 2.885 20 0 GFADRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)S(=O)(=O)c1ccc(Br)cc1F ZINC000248503368 553130481 /nfs/dbraw/zinc/13/04/81/553130481.db2.gz UOLUANKAWHTOHG-GXFFZTMASA-N 1 0 379.295 2.549 20 0 GFADRO O=C1NC(=O)[C@@]2(CCC[N@@H+]([C@H]3CCCc4ccc(Br)cc43)C2)N1 ZINC000248672672 553133337 /nfs/dbraw/zinc/13/33/37/553133337.db2.gz GFVWOTWUABHAGN-YOEHRIQHSA-N 1 0 378.270 2.501 20 0 GFADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@H]3Cc4cc(Br)ccc4O3)CC[C@H]21 ZINC000248715738 553133918 /nfs/dbraw/zinc/13/39/18/553133918.db2.gz DWCKIMKQXLVCOA-SRCQZFHVSA-N 1 0 379.298 2.695 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2cc(OC)c(OC)cc2Cl)[C@@H](C)C1 ZINC000248774957 553134621 /nfs/dbraw/zinc/13/46/21/553134621.db2.gz UENWEAAKCSURBV-GXTWGEPZSA-N 1 0 390.933 2.708 20 0 GFADRO COC(=O)[C@H](c1ccc(Cl)c(Cl)c1)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000248839580 553135561 /nfs/dbraw/zinc/13/55/61/553135561.db2.gz KWSWFHWXNSWBQJ-GUYCJALGSA-N 1 0 387.307 2.862 20 0 GFADRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Cc2ccc(I)cc2)C1 ZINC000249125964 553139709 /nfs/dbraw/zinc/13/97/09/553139709.db2.gz XIVIFMXZMXMFSJ-HOCLYGCPSA-N 1 0 398.288 2.776 20 0 GFADRO CSc1ccc(NC(=O)C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)cc1Cl ZINC000249163947 553140415 /nfs/dbraw/zinc/14/04/15/553140415.db2.gz JVGBBIYHRZBRND-SWLSCSKDSA-N 1 0 381.929 2.943 20 0 GFADRO COc1ccc(S(=O)(=O)NC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)cn1 ZINC000249449146 553143371 /nfs/dbraw/zinc/14/33/71/553143371.db2.gz FXLILMUXBUMBAB-DYVFJYSZSA-N 1 0 381.523 2.513 20 0 GFADRO CC1(C)CN(CCNC(=O)[C@@H]2C[C@H]2c2cccc(Br)c2)CCO1 ZINC000249745098 553146094 /nfs/dbraw/zinc/14/60/94/553146094.db2.gz MQOZNQXIVJKZAH-JKSUJKDBSA-N 1 0 381.314 2.780 20 0 GFADRO Cc1ccc(S(=O)(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c(Br)c1 ZINC000252466236 553149861 /nfs/dbraw/zinc/14/98/61/553149861.db2.gz WAYDVMFUWULMNA-QWHCGFSZSA-N 1 0 375.332 2.861 20 0 GFADRO Cc1cc(S(=O)(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)sc1Br ZINC000252874936 553150380 /nfs/dbraw/zinc/15/03/80/553150380.db2.gz VLNLFWICDOXQDE-GARJFASQSA-N 1 0 379.345 2.567 20 0 GFADRO C[C@H](Cc1ccc(Br)cc1)[NH2+]C[C@H]1CCC[C@H]1NS(C)(=O)=O ZINC000253351739 553150906 /nfs/dbraw/zinc/15/09/06/553150906.db2.gz LLKOPQNMOZAQJF-XNRPHZJLSA-N 1 0 389.359 2.688 20 0 GFADRO C[NH2+][C@@H](C)Cc1noc([C@H]2CC(=O)N(c3ccc(Br)c(C)c3)C2)n1 ZINC000261605909 553153838 /nfs/dbraw/zinc/15/38/38/553153838.db2.gz ACZZESYIOGSBDA-RYUDHWBXSA-N 1 0 393.285 2.811 20 0 GFADRO [NH3+][C@@H]1CN(C(=O)c2[nH]nc(C3CC3)c2Br)C[C@H]1c1ccccc1 ZINC000261600364 553153878 /nfs/dbraw/zinc/15/38/78/553153878.db2.gz ABRTXNGYVSUCNR-QWHCGFSZSA-N 1 0 375.270 2.617 20 0 GFADRO C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1NC(=O)c1ccc(F)cc1I ZINC000261599312 553154152 /nfs/dbraw/zinc/15/41/52/553154152.db2.gz PMEAQYNTPMXVIZ-VYUIOLGVSA-N 1 0 376.213 2.547 20 0 GFADRO O=C(NC[C@H]1[NH2+]CCc2ccccc21)c1csc(I)c1 ZINC000261637476 553155382 /nfs/dbraw/zinc/15/53/82/553155382.db2.gz BYLCKOKEEXEHTN-CYBMUJFWSA-N 1 0 398.269 2.970 20 0 GFADRO O=C(NC[C@@H]1CCCN(Cc2ccc(F)cc2Br)C1)[C@H]1CCC[NH2+]1 ZINC000261670841 553155622 /nfs/dbraw/zinc/15/56/22/553155622.db2.gz LSGBDBWNLFMBMR-SUMWQHHRSA-N 1 0 398.320 2.668 20 0 GFADRO O=C(NC[C@@H]1CCCN(Cc2ccc(F)cc2Br)C1)[C@@H]1CCC[NH2+]1 ZINC000261670839 553155757 /nfs/dbraw/zinc/15/57/57/553155757.db2.gz LSGBDBWNLFMBMR-GUYCJALGSA-N 1 0 398.320 2.668 20 0 GFADRO O=C(NC[C@@H]1CCCN(Cc2cc(F)ccc2Br)C1)[C@@H]1CCC[NH2+]1 ZINC000261665686 553155885 /nfs/dbraw/zinc/15/58/85/553155885.db2.gz LCWDXDOFNMDYEW-GUYCJALGSA-N 1 0 398.320 2.668 20 0 GFADRO O=C(NC[C@@H]1CCCN(Cc2cc(Br)ccc2F)C1)[C@H]1CCC[NH2+]1 ZINC000261705321 553156430 /nfs/dbraw/zinc/15/64/30/553156430.db2.gz PDPLJLOFQYENJR-SUMWQHHRSA-N 1 0 398.320 2.668 20 0 GFADRO [NH3+][C@@H]1CN(S(=O)(=O)c2cccc(Br)c2)C[C@H]1c1ccccc1 ZINC000261700449 553156856 /nfs/dbraw/zinc/15/68/56/553156856.db2.gz LMFABIZRLCHIIZ-JKSUJKDBSA-N 1 0 381.295 2.565 20 0 GFADRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)[C@H](c1ccc(Cl)cc1Cl)N1CCOCC1 ZINC000261704727 553156959 /nfs/dbraw/zinc/15/69/59/553156959.db2.gz JMLUHRQGDJJURC-XNJGSVPQSA-N 1 0 386.323 2.562 20 0 GFADRO C[C@H](O)c1ccc(CNC(=O)[C@@](C)([NH3+])c2ccc(Br)cc2)cc1 ZINC000261722691 553157378 /nfs/dbraw/zinc/15/73/78/553157378.db2.gz KGMSXGGUYMXHKB-SGTLLEGYSA-N 1 0 377.282 2.993 20 0 GFADRO C[C@@]1(C[NH3+])CCN(C(=O)c2nn(-c3ccc(F)cc3)cc2Br)C1 ZINC000261757576 553158639 /nfs/dbraw/zinc/15/86/39/553158639.db2.gz FBJUBAHWUMBTCO-INIZCTEOSA-N 1 0 381.249 2.585 20 0 GFADRO [NH3+][C@@H]1CCC[C@H]2CN(S(=O)(=O)c3ccc(OC(F)F)c(Cl)c3)C[C@H]21 ZINC000261798516 553159832 /nfs/dbraw/zinc/15/98/32/553159832.db2.gz ZSYIXLSSQQELNL-UFGOTCBOSA-N 1 0 380.844 2.689 20 0 GFADRO CC(C)c1nnc(CNC(=O)[C@](C)([NH3+])c2ccc(Br)cc2)s1 ZINC000261801603 553160014 /nfs/dbraw/zinc/16/00/14/553160014.db2.gz RANJCEPBVSIKAD-OAHLLOKOSA-N 1 0 383.315 2.914 20 0 GFADRO C[C@]([NH3+])(C(=O)N1CCC[C@H](c2ncc[nH]2)C1)c1ccc(Br)cc1 ZINC000261843457 553160903 /nfs/dbraw/zinc/16/09/03/553160903.db2.gz VCUSZGSXGWJRCK-YVEFUNNKSA-N 1 0 377.286 2.752 20 0 GFADRO COc1cc(CN(C)C(=O)[C@](C)([NH3+])c2ccc(Br)cc2)ccc1O ZINC000261865677 553161307 /nfs/dbraw/zinc/16/13/07/553161307.db2.gz XGXKPRSPVUNJAO-GOSISDBHSA-N 1 0 393.281 2.996 20 0 GFADRO Cc1ccc(NC(=O)CN2CC[NH2+]C[C@@H]2c2cccnc2)c(Br)c1 ZINC000261883304 553161653 /nfs/dbraw/zinc/16/16/53/553161653.db2.gz YSKQBGWPTCLVCP-QGZVFWFLSA-N 1 0 389.297 2.738 20 0 GFADRO C[C@@H]1CSc2ccc(Br)cc2[C@H]1NC(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000261912297 553162368 /nfs/dbraw/zinc/16/23/68/553162368.db2.gz XTLJIGAFKMXWCE-RNKJKDHYSA-N 1 0 385.327 2.855 20 0 GFADRO [NH3+][C@@H]1CCN(Cc2cc(I)c(Br)cc2F)C1 ZINC000261966877 553163633 /nfs/dbraw/zinc/16/36/33/553163633.db2.gz PWXBFBSIROTBMP-MRVPVSSYSA-N 1 0 399.045 2.726 20 0 GFADRO Cc1noc([C@@H]2CCCN(C(=O)[C@](C)([NH3+])c3ccc(Br)cc3)C2)n1 ZINC000261978868 553163980 /nfs/dbraw/zinc/16/39/80/553163980.db2.gz OIWMVHNSYZBSFD-SJKOYZFVSA-N 1 0 393.285 2.721 20 0 GFADRO C[NH2+]CCC1CCN(CC(=O)Nc2c(F)cc(F)cc2Br)CC1 ZINC000261982140 553164280 /nfs/dbraw/zinc/16/42/80/553164280.db2.gz IICQKFLJLMWPNY-UHFFFAOYSA-N 1 0 390.272 2.987 20 0 GFADRO C[NH2+]CCC1CCN(C(=O)c2c(F)cccc2I)CC1 ZINC000262101647 553165829 /nfs/dbraw/zinc/16/58/29/553165829.db2.gz SVZHILIFRJPTLN-UHFFFAOYSA-N 1 0 390.240 2.892 20 0 GFADRO CCO[C@@H]1C[C@]([NH3+])(C(=O)N2CCN(Cc3ccc(Cl)s3)CC2)C1(C)C ZINC000262119739 553166285 /nfs/dbraw/zinc/16/62/85/553166285.db2.gz BXXIREXQTNGYMV-KDOFPFPSSA-N 1 0 385.961 2.578 20 0 GFADRO C[C@H](C[NH3+])C(=O)N1CCC[C@@H]1c1nc(Cc2ccc(Br)cc2)no1 ZINC000262188960 553166830 /nfs/dbraw/zinc/16/68/30/553166830.db2.gz LULPOSQRJMVQRT-BXUZGUMPSA-N 1 0 393.285 2.681 20 0 GFADRO CN(Cc1c(F)cccc1Cl)S(=O)(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000262316817 553169380 /nfs/dbraw/zinc/16/93/80/553169380.db2.gz PUNCECHZKTVKRT-QGZVFWFLSA-N 1 0 389.924 2.620 20 0 GFADRO COCC1(C(=O)N2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)CC[NH2+]CC1 ZINC000262443885 553170994 /nfs/dbraw/zinc/17/09/94/553170994.db2.gz YJMKNJPLMKIKJF-INIZCTEOSA-N 1 0 387.307 2.910 20 0 GFADRO O=C(NC1CC2CCC(C1)[NH2+]2)C1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1 ZINC000262510444 553171854 /nfs/dbraw/zinc/17/18/54/553171854.db2.gz LSDPLWHMTFEFRD-ZEIJEMSESA-N 1 0 382.291 2.746 20 0 GFADRO O=C(NC1CC[NH2+]CC1)c1nn(-c2cccc(Br)c2)c2c1CCC2 ZINC000262524640 553172139 /nfs/dbraw/zinc/17/21/39/553172139.db2.gz ZZZVOBWEXHMXBI-UHFFFAOYSA-N 1 0 389.297 2.605 20 0 GFADRO C[NH2+]C[C@H]1CCN(C(=O)[C@H](CCOC)Cc2cccc(Br)c2)C1 ZINC000262583931 553172970 /nfs/dbraw/zinc/17/29/70/553172970.db2.gz SDVIIYDBYKXTLN-HZPDHXFCSA-N 1 0 383.330 2.712 20 0 GFADRO COc1ccc(Br)cc1C(=O)CCC(=O)N(C)CC(C)(C)C[NH3+] ZINC000262592471 553172971 /nfs/dbraw/zinc/17/29/71/553172971.db2.gz VAXHPSMEIGFIHJ-UHFFFAOYSA-N 1 0 385.302 2.864 20 0 GFADRO O=C([C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262603212 553173000 /nfs/dbraw/zinc/17/30/00/553173000.db2.gz ARHSSSKGARGMRF-DYEKYZERSA-N 1 0 382.291 2.699 20 0 GFADRO C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)C[NH2+]CC2CC2)CC1 ZINC000262654639 553173504 /nfs/dbraw/zinc/17/35/04/553173504.db2.gz CGDPODVZKMFXSD-CQSZACIVSA-N 1 0 380.330 2.654 20 0 GFADRO COCC[NH2+]CCNC(=O)c1ccc(Oc2cccc(Cl)c2Cl)nn1 ZINC000262649663 553173620 /nfs/dbraw/zinc/17/36/20/553173620.db2.gz KDZCDSAAIRTBAG-UHFFFAOYSA-N 1 0 385.251 2.542 20 0 GFADRO [NH3+]C[C@@H]1CCCC[C@H]1NS(=O)(=O)c1cccc(Cl)c1Br ZINC000262753982 553174979 /nfs/dbraw/zinc/17/49/79/553174979.db2.gz HFCKDSLESOMURG-GXSJLCMTSA-N 1 0 381.723 2.898 20 0 GFADRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1 ZINC000262759530 553175075 /nfs/dbraw/zinc/17/50/75/553175075.db2.gz KOAIBOIUEHHQEN-XJKSGUPXSA-N 1 0 384.929 2.541 20 0 GFADRO O=S(=O)(NCC[C@H]1CCC[NH2+]C1)c1ccc(Cl)cc1Br ZINC000262773891 553175827 /nfs/dbraw/zinc/17/58/27/553175827.db2.gz MTVDPMKPUAENES-SNVBAGLBSA-N 1 0 381.723 2.771 20 0 GFADRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)[C@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1 ZINC000262793482 553176335 /nfs/dbraw/zinc/17/63/35/553176335.db2.gz NGISRVOXRXPIDH-HFBAOOFYSA-N 1 0 384.307 2.712 20 0 GFADRO C[C@H]1C[C@H](NC(=O)CCc2nc(-c3cc(Br)cs3)no2)CC[NH2+]1 ZINC000262870147 553177739 /nfs/dbraw/zinc/17/77/39/553177739.db2.gz MGNDQYFGFIRCDE-GXSJLCMTSA-N 1 0 399.314 2.750 20 0 GFADRO O=C(NCc1ccc(Br)c(F)c1)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000262876358 553177927 /nfs/dbraw/zinc/17/79/27/553177927.db2.gz YIZKASRSGSIXNM-LBPRGKRZSA-N 1 0 381.249 2.639 20 0 GFADRO C[C@@H](CNC(=O)COc1cc(Cl)c(Cl)cc1Cl)N1CC[NH+](C)CC1 ZINC000263812024 553194065 /nfs/dbraw/zinc/19/40/65/553194065.db2.gz XCSPDLFDHLQLNJ-NSHDSACASA-N 1 0 394.730 2.778 20 0 GFADRO Cc1cc(S(=O)(=O)NC[C@H]2CCC[C@H]([NH3+])C2)c(C)cc1Br ZINC000564967023 564259911 /nfs/dbraw/zinc/25/99/11/564259911.db2.gz QLFGPGJPUDVKEE-STQMWFEESA-N 1 0 375.332 2.862 20 0 GFADRO CC(C)[N@@H+]1C[C@@H](C)[C@H](NS(=O)(=O)Cc2ccc(Br)c(F)c2)C1 ZINC000451275919 564294279 /nfs/dbraw/zinc/29/42/79/564294279.db2.gz YSXQTXMJZCMFDL-IAQYHMDHSA-N 1 0 393.322 2.736 20 0 GFADRO CO[C@H](C[NH2+]C[C@H](O)COc1ccc(Cl)cc1Br)C1CC1 ZINC000566121226 564310676 /nfs/dbraw/zinc/31/06/76/564310676.db2.gz ATHQWTSNSWHJFY-SWLSCSKDSA-N 1 0 378.694 2.857 20 0 GFADRO Cc1cc(Br)cc(S(=O)(=O)N(C)CCC[NH+]2CCCC2)c1 ZINC000543620209 564355923 /nfs/dbraw/zinc/35/59/23/564355923.db2.gz WUWKSLRBMUSWLZ-UHFFFAOYSA-N 1 0 375.332 2.864 20 0 GFADRO CCc1sc(C(=O)NC[C@@H]2CCCC[N@@H+]2CCO)cc1Br ZINC000452379874 564411282 /nfs/dbraw/zinc/41/12/82/564411282.db2.gz RNLGAFVMYNKMRQ-NSHDSACASA-N 1 0 375.332 2.650 20 0 GFADRO O=C(NC[C@H]1CCCC[N@H+]1CCO)c1cc(Cl)c(F)cc1Br ZINC000452380865 564411732 /nfs/dbraw/zinc/41/17/32/564411732.db2.gz UOMDTSYNJNOJFR-SNVBAGLBSA-N 1 0 393.684 2.818 20 0 GFADRO C[C@H]1CCC[C@H]1[NH2+]CCCNS(=O)(=O)c1ccccc1Br ZINC000512868433 564414805 /nfs/dbraw/zinc/41/48/05/564414805.db2.gz CRDCEGHIIPYKIC-GXTWGEPZSA-N 1 0 375.332 2.896 20 0 GFADRO COCC[NH2+]CCNC(=O)N[C@@](C)(c1ccc(Br)cc1)C(C)C ZINC000418504278 563218404 /nfs/dbraw/zinc/21/84/04/563218404.db2.gz AZBNQOZTUIEWOV-QGZVFWFLSA-N 1 0 386.334 2.856 20 0 GFADRO COCCN(Cc1ccc(Br)s1)C(=O)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000418596227 563220966 /nfs/dbraw/zinc/22/09/66/563220966.db2.gz HCHGEPGHVCUBII-NEPJUHHUSA-N 1 0 390.347 2.809 20 0 GFADRO CC[C@@H](C[NH+]1CCCC1)NS(=O)(=O)c1cc(Br)sc1C ZINC000674891106 565886355 /nfs/dbraw/zinc/88/63/55/565886355.db2.gz NEHWJOWYJSIVIV-NSHDSACASA-N 1 0 381.361 2.972 20 0 GFADRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)c1c(F)cccc1I ZINC000421714739 563320672 /nfs/dbraw/zinc/32/06/72/563320672.db2.gz WDOWGAOCSPQLEL-JTQLQIEISA-N 1 0 376.213 2.597 20 0 GFADRO Cc1ccc(C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc1I ZINC000374645037 563378449 /nfs/dbraw/zinc/37/84/49/563378449.db2.gz NAOGYALWPJTHEN-YDHLFZDLSA-N 1 0 384.261 2.799 20 0 GFADRO C[C@@H](C(=O)NCCN1CC[N@H+](C)C(C)(C)C1)c1ccc(Br)s1 ZINC000281686768 563383662 /nfs/dbraw/zinc/38/36/62/563383662.db2.gz FSEKCEZKNAIBGT-GFCCVEGCSA-N 1 0 388.375 2.756 20 0 GFADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)Nc1cc(F)c(Br)cc1Cl ZINC000281943967 563390953 /nfs/dbraw/zinc/39/09/53/563390953.db2.gz LQJAYBZCHQFGHF-VIFPVBQESA-N 1 0 393.688 2.609 20 0 GFADRO COCCC[C@H]([NH2+][C@@H](C)C(=O)NCCF)c1ccc(Br)cc1 ZINC000282704958 563422288 /nfs/dbraw/zinc/42/22/88/563422288.db2.gz LBNIRYCWPAEAFW-WFASDCNBSA-N 1 0 375.282 2.981 20 0 GFADRO CC(C)[NH+]1CCC(O)(CNC(=O)NCc2ccsc2Br)CC1 ZINC000283503152 563446581 /nfs/dbraw/zinc/44/65/81/563446581.db2.gz YXNIKQVOCWKWTD-UHFFFAOYSA-N 1 0 390.347 2.545 20 0 GFADRO C[C@@H]1CN(C(=O)NCCc2c[nH]c3cccc(Br)c23)[C@H](C)C[NH2+]1 ZINC000418193644 563213217 /nfs/dbraw/zinc/21/32/17/563213217.db2.gz CKNOANJVTRKEDP-VXGBXAGGSA-N 1 0 379.302 2.865 20 0 GFADRO O=C(N[C@H]1C[C@H](c2ccc(Br)cc2)C1)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000418197135 563213356 /nfs/dbraw/zinc/21/33/56/563213356.db2.gz FFKHLHRJWRAAIS-PNBKFKSVSA-N 1 0 378.314 2.946 20 0 GFADRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)NCCc1c[nH]c2cccc(Br)c12 ZINC000418196192 563213505 /nfs/dbraw/zinc/21/35/05/563213505.db2.gz HCIYSDXIWGPNHQ-FZMZJTMJSA-N 1 0 379.302 2.770 20 0 GFADRO CO[C@@H]1CCN(C(=O)N[C@@H](C)c2ccc(F)c(Br)c2)[C@H](C[NH3+])C1 ZINC000418212488 563213801 /nfs/dbraw/zinc/21/38/01/563213801.db2.gz GFBWPSOSHDQVDB-WCFLWFBJSA-N 1 0 388.281 2.797 20 0 GFADRO Cn1ncc(Br)c1C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000294735902 563214579 /nfs/dbraw/zinc/21/45/79/563214579.db2.gz BZFOFCHCZKVODT-UHFFFAOYSA-N 1 0 397.342 2.886 20 0 GFADRO C[C@@H]1CCN(C(=O)NCc2nc3c(cccc3Br)[nH]2)[C@H](C[NH3+])C1 ZINC000418274725 563214558 /nfs/dbraw/zinc/21/45/58/563214558.db2.gz YHJUZZCGSRPFKH-MNOVXSKESA-N 1 0 380.290 2.594 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)NCc2nc3c(cccc3Br)[nH]2)C1 ZINC000418275165 563215041 /nfs/dbraw/zinc/21/50/41/563215041.db2.gz YSKXHEVLGSYLCG-MNOVXSKESA-N 1 0 380.290 2.594 20 0 GFADRO O=C(NC1CC[NH2+]CC1)N1CCC[C@@H]1c1ccc(I)cc1 ZINC000418309178 563215357 /nfs/dbraw/zinc/21/53/57/563215357.db2.gz NFSSYFXAVGEOND-OAHLLOKOSA-N 1 0 399.276 2.890 20 0 GFADRO C[NH2+]C[C@H](C)CNC(=O)N1CCC(Oc2cccc(Br)c2)CC1 ZINC000418360917 563216270 /nfs/dbraw/zinc/21/62/70/563216270.db2.gz KNZQFQDKTNNBAI-ZDUSSCGKSA-N 1 0 384.318 2.857 20 0 GFADRO O=C(CCc1cccc(F)c1Br)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000294778233 563216421 /nfs/dbraw/zinc/21/64/21/563216421.db2.gz AKGZZBAVWAIODS-AWEZNQCLSA-N 1 0 399.304 2.702 20 0 GFADRO CC(=O)NCCN(Cc1ccc(Cl)cc1Cl)C(=O)NC[C@H]([NH3+])C(C)C ZINC000418404679 563217430 /nfs/dbraw/zinc/21/74/30/563217430.db2.gz KLFDEWOSULTYKH-INIZCTEOSA-N 1 0 389.327 2.624 20 0 GFADRO CCCC[C@@H](C[NH3+])NC(=O)N(CCO)Cc1cc(Br)cs1 ZINC000418470904 563217680 /nfs/dbraw/zinc/21/76/80/563217680.db2.gz QZCAEJXICTTYIM-LBPRGKRZSA-N 1 0 378.336 2.532 20 0 GFADRO [NH3+][C@H](CNC(=O)N(CCO)Cc1cc(Br)cs1)c1ccccc1 ZINC000418437098 563218017 /nfs/dbraw/zinc/21/80/17/563218017.db2.gz XXKOHKHYBXTPSS-OAHLLOKOSA-N 1 0 398.326 2.715 20 0 GFADRO CCC[NH2+]CCNC(=O)N(CCOC)Cc1cc(Br)cs1 ZINC000418468136 563218132 /nfs/dbraw/zinc/21/81/32/563218132.db2.gz GLPGCNJWIJQHTB-UHFFFAOYSA-N 1 0 378.336 2.668 20 0 GFADRO COc1ccc(CNC(=O)N2CCC[N@@H+]3CCC[C@H]3C2)cc1Br ZINC000369582582 563218264 /nfs/dbraw/zinc/21/82/64/563218264.db2.gz OOVPXMXYTPBDQM-AWEZNQCLSA-N 1 0 382.302 2.837 20 0 GFADRO COCC[NH2+]CCNC(=O)N1CCC[C@@H]1c1ccc(Br)s1 ZINC000418509932 563218801 /nfs/dbraw/zinc/21/88/01/563218801.db2.gz PCSYPAGXMWMZKW-LLVKDONJSA-N 1 0 376.320 2.593 20 0 GFADRO [NH3+][C@@H](CNC(=O)N1CCC[C@H]1c1ccccc1I)C1CC1 ZINC000418489735 563218838 /nfs/dbraw/zinc/21/88/38/563218838.db2.gz PCFGWJHMMYFZGM-GJZGRUSLSA-N 1 0 399.276 2.875 20 0 GFADRO COc1ccc(Cl)cc1NC(=O)CC[N@@H+]1CCCC[C@@H](S(C)(=O)=O)C1 ZINC000277668102 563220238 /nfs/dbraw/zinc/22/02/38/563220238.db2.gz FLDLAAGXKYZJKP-CQSZACIVSA-N 1 0 388.917 2.576 20 0 GFADRO CC[NH+]1CCN(CCNC(=O)COc2c(Cl)cc(Cl)cc2Cl)CC1 ZINC000294891155 563220708 /nfs/dbraw/zinc/22/07/08/563220708.db2.gz FUOZONSNZKVBCM-UHFFFAOYSA-N 1 0 394.730 2.779 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H](NC(=O)N2CCO[C@H](c3cccc(Br)c3)C2)C1 ZINC000418588670 563220871 /nfs/dbraw/zinc/22/08/71/563220871.db2.gz RXHDDWZYRFOAJG-OAGGEKHMSA-N 1 0 382.302 2.802 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)N2CCO[C@@H](c3ccc(Br)cc3)C2)CC[NH2+]1 ZINC000418594421 563220895 /nfs/dbraw/zinc/22/08/95/563220895.db2.gz FNDSSDRGJSKPCN-UHOFOFEASA-N 1 0 382.302 2.673 20 0 GFADRO CC[NH+](CC)[C@H](CNC(=O)C[S@](=O)CC)c1ccc(C(F)(F)F)cc1 ZINC000294952820 563222767 /nfs/dbraw/zinc/22/27/67/563222767.db2.gz WAQCRXPACQHWNZ-SGANQWHYSA-N 1 0 378.460 2.973 20 0 GFADRO CC[C@H](c1ccc(Br)cc1)N1CCN(C(=O)N[C@@H](C)[C@@H](C)[NH3+])CC1 ZINC000418703845 563222790 /nfs/dbraw/zinc/22/27/90/563222790.db2.gz QXWUUIFNJGKZLN-JKIFEVAISA-N 1 0 397.361 2.963 20 0 GFADRO CC(C)CN(Cc1ccccc1Br)C(=O)NC[C@H]1C[NH2+]CCN1C ZINC000418772518 563225105 /nfs/dbraw/zinc/22/51/05/563225105.db2.gz WTNUWXPAUFEVGZ-MRXNPFEDSA-N 1 0 397.361 2.520 20 0 GFADRO CC[NH2+][C@H](C)CNC(=O)C(=O)N[C@H](c1cccs1)c1ccc(Cl)cc1 ZINC000418767381 563225187 /nfs/dbraw/zinc/22/51/87/563225187.db2.gz SDGXKWVYFBFRMP-WBMJQRKESA-N 1 0 379.913 2.721 20 0 GFADRO O=C(NCCC[C@@H]1CCC[NH2+]1)N[C@H](CCO)c1ccccc1Br ZINC000418775401 563226023 /nfs/dbraw/zinc/22/60/23/563226023.db2.gz SHKQPRPPQZZCBB-XJKSGUPXSA-N 1 0 384.318 2.704 20 0 GFADRO O=C(N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)N1CCc2cc(Br)ccc2C1 ZINC000418796850 563226094 /nfs/dbraw/zinc/22/60/94/563226094.db2.gz RNPSWYVFKWSYLC-UKPHBRMFSA-N 1 0 378.314 2.905 20 0 GFADRO COc1cc(C[NH2+][C@@H](C)CC(C)(C)O)cc(I)c1OC ZINC000295031765 563226251 /nfs/dbraw/zinc/22/62/51/563226251.db2.gz LSDJRNYISYZLHG-JTQLQIEISA-N 1 0 393.265 2.948 20 0 GFADRO CCCC[C@H](C[NH3+])NC(=O)C(=O)N[C@@H](C)c1cc(F)c(Cl)cc1Cl ZINC000418854495 563227764 /nfs/dbraw/zinc/22/77/64/563227764.db2.gz TYDIBPVUXKKLLL-VHSXEESVSA-N 1 0 378.275 2.943 20 0 GFADRO CN(c1nc(C(F)(F)F)c(Br)s1)C1CC[NH+](CCO)CC1 ZINC000418856122 563228068 /nfs/dbraw/zinc/22/80/68/563228068.db2.gz OFMSXMKFVIHACO-UHFFFAOYSA-N 1 0 388.253 2.817 20 0 GFADRO C[C@@H](NC(=O)C(=O)NC1CCC([NH3+])CC1)c1cc(F)c(Cl)cc1Cl ZINC000418854741 563228226 /nfs/dbraw/zinc/22/82/26/563228226.db2.gz TZEGJNLUUJFAOL-XNWIYYODSA-N 1 0 376.259 2.696 20 0 GFADRO O=c1cccc2n1C[C@H]1C[C@@H]2C[N@H+](C[C@H](O)c2cccc(Br)c2)C1 ZINC000295068275 563228372 /nfs/dbraw/zinc/22/83/72/563228372.db2.gz AEAAOSLCVMNDLE-JOQOYGCGSA-N 1 0 389.293 2.764 20 0 GFADRO COc1cc(Br)c(CNC(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)cc1OC ZINC000369960767 563229506 /nfs/dbraw/zinc/22/95/06/563229506.db2.gz XUKPPNBTJZRPPV-ZIAGYGMSSA-N 1 0 397.313 2.957 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N[C@H]2C[C@H](c3ccc(Cl)c(Cl)c3)C2)C1 ZINC000418897328 563229678 /nfs/dbraw/zinc/22/96/78/563229678.db2.gz XALNLXOTNGMRJF-PYJNHQTQSA-N 1 0 384.307 2.551 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[N@@H+]1CC[C@](C)(COC)C1 ZINC000295141948 563230887 /nfs/dbraw/zinc/23/08/87/563230887.db2.gz PYBMEIOLIDVPKF-UGSOOPFHSA-N 1 0 399.329 2.821 20 0 GFADRO C[C@H](NC(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1)c1cc(Cl)ccc1Cl ZINC000418954000 563231532 /nfs/dbraw/zinc/23/15/32/563231532.db2.gz MXDZRTXDGNLDNL-KFYUAXIPSA-N 1 0 384.307 2.756 20 0 GFADRO C[NH2+]CC1CCN(C(=O)C(=O)N[C@H]2CCc3c2ccc(Cl)c3Cl)CC1 ZINC000419095966 563233021 /nfs/dbraw/zinc/23/30/21/563233021.db2.gz LLOKZQJULAMJDF-HNNXBMFYSA-N 1 0 384.307 2.555 20 0 GFADRO C[C@H](NC(=O)C(=O)N[C@@H]1CCc2c1ccc(Cl)c2Cl)[C@@H]1CCC[NH2+]C1 ZINC000419096529 563233270 /nfs/dbraw/zinc/23/32/70/563233270.db2.gz LXKMWEBAEJHFJG-FIXISWKDSA-N 1 0 384.307 2.601 20 0 GFADRO COCCC[N@@H+]1CCCN(C(=O)CCc2ccc(Br)cc2)CC1 ZINC000370107715 563233478 /nfs/dbraw/zinc/23/34/78/563233478.db2.gz OQKUTDXSKIHDHW-UHFFFAOYSA-N 1 0 383.330 2.953 20 0 GFADRO C[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000419282131 563236064 /nfs/dbraw/zinc/23/60/64/563236064.db2.gz LRMIDCBVAIVRKB-CHWSQXEVSA-N 1 0 386.323 2.628 20 0 GFADRO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1CC(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000419330557 563237324 /nfs/dbraw/zinc/23/73/24/563237324.db2.gz GBYCPWGBAJSSGN-QWRGUYRKSA-N 1 0 394.730 2.972 20 0 GFADRO C[NH2+]C1CCN(C(=O)C(=O)N[C@@H](C)c2c(Cl)ccc(F)c2Cl)CC1 ZINC000419338623 563238029 /nfs/dbraw/zinc/23/80/29/563238029.db2.gz LPTHWBGTWGXGQM-VIFPVBQESA-N 1 0 376.259 2.520 20 0 GFADRO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1Cc1cccc(Br)c1OC(F)F ZINC000419346759 563238466 /nfs/dbraw/zinc/23/84/66/563238466.db2.gz VVTYCJFZOCLGGT-RYUDHWBXSA-N 1 0 393.272 2.937 20 0 GFADRO CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)S(=O)(=O)c1cccs1 ZINC000370266543 563238763 /nfs/dbraw/zinc/23/87/63/563238763.db2.gz VEMMYNXJYSVZGZ-UHFFFAOYSA-N 1 0 385.599 2.565 20 0 GFADRO O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)c1ccoc1Br ZINC000278075423 563239105 /nfs/dbraw/zinc/23/91/05/563239105.db2.gz OMGQMRZKKLHMCT-HOCLYGCPSA-N 1 0 393.281 2.655 20 0 GFADRO CC(C)(CNC(=O)C(=O)NCC[C@H]1CCC[NH2+]1)c1ccc(Cl)c(Cl)c1 ZINC000419367125 563239416 /nfs/dbraw/zinc/23/94/16/563239416.db2.gz WNMNKFJUVVXNGU-CYBMUJFWSA-N 1 0 386.323 2.646 20 0 GFADRO C[C@@H](CNC(=O)C(=O)N1CCC[C@H](CC[NH3+])C1)c1c(Cl)cccc1Cl ZINC000419520295 563241128 /nfs/dbraw/zinc/24/11/28/563241128.db2.gz PUVFOFQSMZAARX-QWHCGFSZSA-N 1 0 386.323 2.801 20 0 GFADRO O=C(Nc1cccc(C[NH+]2C[C@@H](O)[C@H](O)C2)c1)c1ccc(Cl)cc1Cl ZINC000278110130 563241114 /nfs/dbraw/zinc/24/11/14/563241114.db2.gz AACDGHIKHXLUAJ-IAGOWNOFSA-N 1 0 381.259 2.783 20 0 GFADRO C[C@@H](CNC(=O)C(=O)NCC1(C)CC[NH2+]CC1)c1c(Cl)cccc1Cl ZINC000419523467 563241649 /nfs/dbraw/zinc/24/16/49/563241649.db2.gz WHUODMDRBVNKHK-LBPRGKRZSA-N 1 0 386.323 2.719 20 0 GFADRO C[C@@H](Cc1c(Cl)cccc1Cl)NC(=O)C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000419570279 563242749 /nfs/dbraw/zinc/24/27/49/563242749.db2.gz NERATSRNGWQAOM-STQMWFEESA-N 1 0 386.323 2.628 20 0 GFADRO C[C@H](Cc1c(Cl)cccc1Cl)NC(=O)C(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000419601254 563243127 /nfs/dbraw/zinc/24/31/27/563243127.db2.gz WOLCQHXIHURYJU-FRRDWIJNSA-N 1 0 386.323 2.545 20 0 GFADRO O=C(NCC1CC[NH+](C2CC2)CC1)C(=O)Nc1cc(F)ccc1Br ZINC000278172992 563243568 /nfs/dbraw/zinc/24/35/68/563243568.db2.gz KMCXDKBLSXZSIZ-UHFFFAOYSA-N 1 0 398.276 2.517 20 0 GFADRO O=C(NCc1cc(Cl)sc1Cl)C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000419635315 563243972 /nfs/dbraw/zinc/24/39/72/563243972.db2.gz RBWSUGSBJWYWNV-LBPRGKRZSA-N 1 0 390.336 2.662 20 0 GFADRO O=C(NCC1CC[NH+](C2CC2)CC1)C(=O)Nc1ccc(F)c(Br)c1 ZINC000278218581 563245601 /nfs/dbraw/zinc/24/56/01/563245601.db2.gz PWGKQWBLEHXAKT-UHFFFAOYSA-N 1 0 398.276 2.517 20 0 GFADRO CSCCCCC[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000419685987 563245619 /nfs/dbraw/zinc/24/56/19/563245619.db2.gz NKLXFGMJWZVTEU-UHFFFAOYSA-N 1 0 381.361 2.719 20 0 GFADRO C[C@@H]1CN(C(=O)C(=O)NCC(C)(C)c2c(Cl)cccc2Cl)CC[C@H]1[NH3+] ZINC000419690116 563245940 /nfs/dbraw/zinc/24/59/40/563245940.db2.gz BLNYNJBLMXIRIE-BXUZGUMPSA-N 1 0 386.323 2.583 20 0 GFADRO Cn1cc([C@@H](NC(=O)NC[C@@H](c2ccsc2)[NH+](C)C)C(F)(F)F)cn1 ZINC000278233056 563246309 /nfs/dbraw/zinc/24/63/09/563246309.db2.gz FRRSZVZPHHTRDQ-QWHCGFSZSA-N 1 0 375.420 2.687 20 0 GFADRO CC(C)(CNC(=O)C(=O)NCC[C@H]1CC[NH2+]C1)c1c(Cl)cccc1Cl ZINC000419691212 563246256 /nfs/dbraw/zinc/24/62/56/563246256.db2.gz DVCYUCNBSCUYLU-GFCCVEGCSA-N 1 0 386.323 2.503 20 0 GFADRO C[C@H](CCNC(=O)c1c(Br)cnn1C)[N@H+](C)Cc1ccccc1 ZINC000295425461 563246960 /nfs/dbraw/zinc/24/69/60/563246960.db2.gz WFNXEJHBCBQFFB-CYBMUJFWSA-N 1 0 379.302 2.823 20 0 GFADRO Cc1ccc(OCC[NH2+]C2CCN(S(=O)(=O)c3cccs3)CC2)cc1 ZINC000370573936 563248720 /nfs/dbraw/zinc/24/87/20/563248720.db2.gz NGYNOZQIUVHFFD-UHFFFAOYSA-N 1 0 380.535 2.878 20 0 GFADRO C[C@@H](c1ccccc1Br)N(C)C(=O)C(=O)NCC1([NH3+])CCCCC1 ZINC000419801452 563251288 /nfs/dbraw/zinc/25/12/88/563251288.db2.gz JQBSAFVGFGPMHC-ZDUSSCGKSA-N 1 0 396.329 2.746 20 0 GFADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)c1cccc(Br)c1F ZINC000278360753 563251375 /nfs/dbraw/zinc/25/13/75/563251375.db2.gz IWBHKMPXOUREPN-GFCCVEGCSA-N 1 0 385.277 2.914 20 0 GFADRO CCC[C@@H](O)[C@@H](CO)[NH2+]Cc1cn(-c2ccc(Br)cc2)nc1C ZINC000419834648 563251583 /nfs/dbraw/zinc/25/15/83/563251583.db2.gz XLYMFXOYXIPQCA-IAGOWNOFSA-N 1 0 382.302 2.555 20 0 GFADRO CCC[C@@H](O)[C@H](CO)[NH2+]Cc1cc(Br)c(OC(F)F)c(OC)c1 ZINC000419833814 563251722 /nfs/dbraw/zinc/25/17/22/563251722.db2.gz WJJARDDCCOZQCB-NWDGAFQWSA-N 1 0 398.244 2.671 20 0 GFADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)Cc1ccc(Br)cc1 ZINC000278360956 563251777 /nfs/dbraw/zinc/25/17/77/563251777.db2.gz IZDCIFRSMDUVSA-CQSZACIVSA-N 1 0 381.314 2.703 20 0 GFADRO CC(C)N(Cc1ccc(Br)cc1)C(=O)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000419902107 563252250 /nfs/dbraw/zinc/25/22/50/563252250.db2.gz VJQAJKUKTCHISZ-JKSUJKDBSA-N 1 0 396.329 2.572 20 0 GFADRO CC(C)N(Cc1cccc(Br)c1)C(=O)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000419887956 563252505 /nfs/dbraw/zinc/25/25/05/563252505.db2.gz FLTAVGDOEYWPTG-CVEARBPZSA-N 1 0 396.329 2.572 20 0 GFADRO CC(C)N(Cc1ccc(Br)cc1)C(=O)C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000419902104 563252515 /nfs/dbraw/zinc/25/25/15/563252515.db2.gz VJQAJKUKTCHISZ-HOTGVXAUSA-N 1 0 396.329 2.572 20 0 GFADRO CC(C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000419862390 563252619 /nfs/dbraw/zinc/25/26/19/563252619.db2.gz QMLXPKBJYXHYIK-AWEZNQCLSA-N 1 0 386.323 2.846 20 0 GFADRO O=C(CCc1cccc(Br)c1)NC[C@@H]1CCC[C@@H]1[NH+]1CCOCC1 ZINC000370755960 563253867 /nfs/dbraw/zinc/25/38/67/563253867.db2.gz CNZVUKLEPDNWFG-WMZOPIPTSA-N 1 0 395.341 2.999 20 0 GFADRO COc1ccc(Br)c(C(=O)NC[C@@H]2CCC[C@H]2[NH+]2CCOCC2)c1 ZINC000370758663 563253971 /nfs/dbraw/zinc/25/39/71/563253971.db2.gz LCTYCUMRAIDYHO-SUMWQHHRSA-N 1 0 397.313 2.688 20 0 GFADRO O=C(NC[C@H]1CCC[C@H]1[NH+]1CCOCC1)c1cc(F)ccc1Br ZINC000370761138 563254710 /nfs/dbraw/zinc/25/47/10/563254710.db2.gz VFKQNRFDHXRDQR-MLGOLLRUSA-N 1 0 385.277 2.819 20 0 GFADRO CC[C@H](NC(=O)[C@@H](C)C[NH2+]C)c1noc(-c2cccc(Br)c2)n1 ZINC000370772414 563254745 /nfs/dbraw/zinc/25/47/45/563254745.db2.gz LFJLABFWIABKJH-GWCFXTLKSA-N 1 0 381.274 2.922 20 0 GFADRO O=C(CCOc1cccc(Br)c1)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000370780486 563254900 /nfs/dbraw/zinc/25/49/00/563254900.db2.gz SHINZDZTTCEFBB-INIZCTEOSA-N 1 0 397.313 2.588 20 0 GFADRO C[C@H]1C[N@H+](CCCNC(=O)c2cc3sc(N(C)C)nc3s2)CCCO1 ZINC000278427929 563255076 /nfs/dbraw/zinc/25/50/76/563255076.db2.gz GQPZLHUDQMYOQY-LBPRGKRZSA-N 1 0 382.555 2.655 20 0 GFADRO Cn1ncc(Br)c1C[NH2+]C1CCN(C(=O)c2ccccc2)CC1 ZINC000278436172 563255636 /nfs/dbraw/zinc/25/56/36/563255636.db2.gz SYWSDCYYXBPDRW-UHFFFAOYSA-N 1 0 377.286 2.577 20 0 GFADRO O=S1(=O)CC[C@]2(C1)C[C@@H]([NH2+]CCCc1c(F)cccc1Cl)CCO2 ZINC000278461548 563257362 /nfs/dbraw/zinc/25/73/62/563257362.db2.gz FBPQFROLZPQIMO-SUMWQHHRSA-N 1 0 375.893 2.738 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)c1c(F)cccc1Br ZINC000370828225 563257576 /nfs/dbraw/zinc/25/75/76/563257576.db2.gz YQTIJBQDTJZMSE-DFBGVHRSSA-N 1 0 385.277 2.912 20 0 GFADRO COCCSCCC[N@H+](C)CCCOc1ccc(S(C)(=O)=O)cc1 ZINC000278482406 563257770 /nfs/dbraw/zinc/25/77/70/563257770.db2.gz HZQIIWXJVDYAKB-UHFFFAOYSA-N 1 0 375.556 2.561 20 0 GFADRO CC(C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000420110329 563258312 /nfs/dbraw/zinc/25/83/12/563258312.db2.gz FNHARAMKKFOCNN-LRDDRELGSA-N 1 0 386.323 2.845 20 0 GFADRO CCCN(Cc1ccccc1Br)C(=O)C(=O)NCC([NH3+])(CC)CC ZINC000420079817 563258329 /nfs/dbraw/zinc/25/83/29/563258329.db2.gz IZYVICSEDXXPPR-UHFFFAOYSA-N 1 0 398.345 2.821 20 0 GFADRO O=C(NCC1=CC[NH2+]CC1)C(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000420150608 563258619 /nfs/dbraw/zinc/25/86/19/563258619.db2.gz LGNRQSFFPNHPIQ-MRXNPFEDSA-N 1 0 382.291 2.693 20 0 GFADRO C[C@@H]1c2cc(Cl)c(Cl)cc2CCN1C(=O)C(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000420191855 563259718 /nfs/dbraw/zinc/25/97/18/563259718.db2.gz QJWCVRWWLFVIIL-NTZNESFSSA-N 1 0 384.307 2.683 20 0 GFADRO Cn1cc([C@H]2[C@H](CNC(=O)c3cccc(Br)c3)CCC[N@@H+]2C)cn1 ZINC000370917824 563259874 /nfs/dbraw/zinc/25/98/74/563259874.db2.gz PCKJIVUIBARGSB-WMLDXEAASA-N 1 0 391.313 2.996 20 0 GFADRO [NH3+]CC[C@H]1CCCN(c2ncnc3ccc(I)cc32)C1 ZINC000420240038 563260322 /nfs/dbraw/zinc/26/03/22/563260322.db2.gz JJKSHMAHJAMLST-LLVKDONJSA-N 1 0 382.249 2.800 20 0 GFADRO CC(C)Cc1ncnc(N2CCC[C@@H](CC[NH3+])C2)c1I ZINC000420235624 563260342 /nfs/dbraw/zinc/26/03/42/563260342.db2.gz DELKEYXKRVFCKA-LBPRGKRZSA-N 1 0 388.297 2.845 20 0 GFADRO CC(C)Cc1ncnc(N2CCC[C@H](CC[NH3+])C2)c1I ZINC000420235623 563260388 /nfs/dbraw/zinc/26/03/88/563260388.db2.gz DELKEYXKRVFCKA-GFCCVEGCSA-N 1 0 388.297 2.845 20 0 GFADRO CN(C[C@H](O)C[NH3+])[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)c1ccccc1 ZINC000420354604 563261786 /nfs/dbraw/zinc/26/17/86/563261786.db2.gz OXGKFQVBGKDUOX-IAGOWNOFSA-N 1 0 382.291 2.925 20 0 GFADRO CC(C)Cc1ncnc(NC[C@H]2CCC[C@H]([NH3+])C2)c1I ZINC000420279187 563261856 /nfs/dbraw/zinc/26/18/56/563261856.db2.gz JXJITOXNEQEIFK-RYUDHWBXSA-N 1 0 388.297 3.209 20 0 GFADRO CC1(C)C[NH2+]CC[C@@H]1NCC(=O)Nc1c(F)cc(F)cc1Br ZINC000420357301 563263109 /nfs/dbraw/zinc/26/31/09/563263109.db2.gz HEASISBHRZHOPN-LBPRGKRZSA-N 1 0 376.245 2.644 20 0 GFADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+]CCCSC ZINC000295810693 563263779 /nfs/dbraw/zinc/26/37/79/563263779.db2.gz UCNSBWNQQQGEGK-LLVKDONJSA-N 1 0 375.332 2.805 20 0 GFADRO Cc1ccc(Br)c(S(=O)(=O)N2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000420450942 563263871 /nfs/dbraw/zinc/26/38/71/563263871.db2.gz BCBLUVSYFCKJDL-UKRRQHHQSA-N 1 0 387.343 2.910 20 0 GFADRO O=S(=O)(c1ccc(CC(F)(F)F)cc1)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420459683 563264497 /nfs/dbraw/zinc/26/44/97/563264497.db2.gz KLOOOZSQSYEXIR-HOCLYGCPSA-N 1 0 376.444 2.944 20 0 GFADRO Cc1cc(F)c(Br)cc1S(=O)(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000420466615 563264611 /nfs/dbraw/zinc/26/46/11/563264611.db2.gz XCNUUWAJTSBJAM-QMTHXVAHSA-N 1 0 379.295 2.502 20 0 GFADRO C[C@H](C[NH2+]C1CCN(S(=O)(=O)C(F)(F)F)CC1)c1cc(F)cc(F)c1 ZINC000295840761 563264891 /nfs/dbraw/zinc/26/48/91/563264891.db2.gz VWSYUHYJEJVDAF-SNVBAGLBSA-N 1 0 386.386 2.972 20 0 GFADRO COc1cc(Br)cc(S(=O)(=O)N2C[C@H]([NH3+])Cc3ccccc32)c1 ZINC000420474025 563264963 /nfs/dbraw/zinc/26/49/63/563264963.db2.gz IZQLKRCHFQWUCM-CYBMUJFWSA-N 1 0 397.294 2.536 20 0 GFADRO C[C@@H]1CCN(S(=O)(=O)c2cccc(Br)c2Cl)C[C@H]1C[NH3+] ZINC000420477454 563266133 /nfs/dbraw/zinc/26/61/33/563266133.db2.gz JVIDJWRTBFAVSW-NXEZZACHSA-N 1 0 381.723 2.708 20 0 GFADRO O=C(CN1CCC2(CCOC2=O)CC1)Nc1nc(-c2cccs2)cs1 ZINC000371152064 563266719 /nfs/dbraw/zinc/26/67/19/563266719.db2.gz SNTXOGROHHXFOH-UHFFFAOYSA-N 1 0 377.491 2.839 20 0 GFADRO C[N@H+](CCCCNC(=O)C(=O)NCCc1ccc(Cl)cc1Cl)C1CC1 ZINC000420655780 563269519 /nfs/dbraw/zinc/26/95/19/563269519.db2.gz PPBRCAIDEISMNS-UHFFFAOYSA-N 1 0 386.323 2.643 20 0 GFADRO CO[C@H](CC(C)C)CS(=O)(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000420661927 563270761 /nfs/dbraw/zinc/27/07/61/563270761.db2.gz IPCNVMZKMHJBJL-IAGOWNOFSA-N 1 0 388.599 2.941 20 0 GFADRO O=C(NC[C@@H]1CCC[C@@H]1[NH+]1CCOCC1)[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000371268368 563270897 /nfs/dbraw/zinc/27/08/97/563270897.db2.gz JNXIUGXWAPAKJH-ZLIFDBKOSA-N 1 0 387.307 2.644 20 0 GFADRO CC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2cc(Cl)ccc2OC(F)F)C1 ZINC000420667089 563271394 /nfs/dbraw/zinc/27/13/94/563271394.db2.gz IFLZMUOTAQRACJ-NSHDSACASA-N 1 0 382.860 2.904 20 0 GFADRO C[N@@H+]1CC[C@H]2CCN(c3ncc(Cn4cc(Br)cn4)s3)[C@@H]2C1 ZINC000278810445 563271678 /nfs/dbraw/zinc/27/16/78/563271678.db2.gz SCOUSRUWGZBJLN-SMDDNHRTSA-N 1 0 382.331 2.681 20 0 GFADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)Cc1cc(F)ccc1Br ZINC000278849680 563273564 /nfs/dbraw/zinc/27/35/64/563273564.db2.gz LYIZPDUWKBLZEG-ZDUSSCGKSA-N 1 0 399.304 2.842 20 0 GFADRO O=C(/C=C/c1ccc(I)o1)Nc1cnc2c(c1)C[NH2+]CC2 ZINC000371444621 563277765 /nfs/dbraw/zinc/27/77/65/563277765.db2.gz ZUOPHLMHGNWSAS-DUXPYHPUSA-N 1 0 395.200 2.577 20 0 GFADRO Cc1ncsc1CCS(=O)(=O)N[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000296223974 563279296 /nfs/dbraw/zinc/27/92/96/563279296.db2.gz KGSYOYXDCWFCRH-YOEHRIQHSA-N 1 0 379.551 2.576 20 0 GFADRO C[NH+](C)C1CCC(NS(=O)(=O)c2cc(F)ccc2Br)CC1 ZINC000420721550 563279313 /nfs/dbraw/zinc/27/93/13/563279313.db2.gz CUJLZZXLLFMESG-UHFFFAOYSA-N 1 0 379.295 2.739 20 0 GFADRO Cc1nn(C)c(C[NH2+]C[C@@H](c2cccs2)N2CCOCC2)c1Br ZINC000279054957 563282007 /nfs/dbraw/zinc/28/20/07/563282007.db2.gz DTXPSUDPCLVDLM-ZDUSSCGKSA-N 1 0 399.358 2.716 20 0 GFADRO C[NH+](C)C1CCC(NS(=O)(=O)c2cccc(OC(F)(F)F)c2F)CC1 ZINC000420751628 563283482 /nfs/dbraw/zinc/28/34/82/563283482.db2.gz WTOWLUDNBBIYOJ-UHFFFAOYSA-N 1 0 384.395 2.875 20 0 GFADRO Cc1c(Br)ccc(C(=O)N(C)CCCN2CC[NH+](C)CC2)c1F ZINC000279129715 563285226 /nfs/dbraw/zinc/28/52/26/563285226.db2.gz WXLRKUVTVQIGMZ-UHFFFAOYSA-N 1 0 386.309 2.606 20 0 GFADRO C[C@@H]1C[C@H](N(C)C(=O)[C@H]2CCCN2C(=O)c2ccc(Cl)s2)CC[N@@H+]1C ZINC000371764169 563286770 /nfs/dbraw/zinc/28/67/70/563286770.db2.gz FAMNZJFBBQPZSZ-MGPQQGTHSA-N 1 0 383.945 2.947 20 0 GFADRO CCC[N@@H+](CC(=O)Nc1ccc(Cl)cc1Cl)C[C@H](O)COCCOC ZINC000296489139 563289242 /nfs/dbraw/zinc/28/92/42/563289242.db2.gz KZWIDHMAYMCPOS-AWEZNQCLSA-N 1 0 393.311 2.668 20 0 GFADRO CC[C@H]1CCC[C@H]1[NH2+]CC(=O)NCC(=O)Nc1ccccc1Br ZINC000279245923 563289251 /nfs/dbraw/zinc/28/92/51/563289251.db2.gz KQNLMIBBWZTYMB-GXTWGEPZSA-N 1 0 382.302 2.672 20 0 GFADRO CS(=O)(=O)c1ccc(-c2nc(C[NH2+][C@H]3CCC[C@@H]3CCO)cs2)cc1 ZINC000279345453 563293634 /nfs/dbraw/zinc/29/36/34/563293634.db2.gz VDRJNHBSCRKJMI-DYVFJYSZSA-N 1 0 380.535 2.854 20 0 GFADRO COC1([C@@H](C)[NH2+]CC(=O)N[C@@H](C)c2ccc(Br)cc2)CCOCC1 ZINC000421039364 563294647 /nfs/dbraw/zinc/29/46/47/563294647.db2.gz VHCFKQFQULJMFL-UONOGXRCSA-N 1 0 399.329 2.800 20 0 GFADRO C[C@H](NC(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccc(Br)cn1 ZINC000279606492 563302818 /nfs/dbraw/zinc/30/28/18/563302818.db2.gz IYLJLWSTGZDCLZ-MCIONIFRSA-N 1 0 399.333 2.704 20 0 GFADRO Cc1ncsc1CCS(=O)(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1 ZINC000296868438 563305511 /nfs/dbraw/zinc/30/55/11/563305511.db2.gz ZKVQMFZWLZWIMV-UHFFFAOYSA-N 1 0 385.530 2.527 20 0 GFADRO Cc1nc2cc(Cl)c(NC(=O)C(=O)N(C)C[C@@H]3CCC[N@@H+]3C)cc2s1 ZINC000421297229 563305845 /nfs/dbraw/zinc/30/58/45/563305845.db2.gz LBBLPBIHLFNONS-NSHDSACASA-N 1 0 380.901 2.749 20 0 GFADRO NC(=O)[C@H]([NH2+]C1CCN(c2nccs2)CC1)c1cccc(Br)c1 ZINC000279713824 563307384 /nfs/dbraw/zinc/30/73/84/563307384.db2.gz SYKSBBLBTVJWSA-CQSZACIVSA-N 1 0 395.326 2.691 20 0 GFADRO COC[C@H]1CN(C(=O)C2CC[NH+](Cc3ccc(Cl)s3)CC2)C[C@@H](C)O1 ZINC000372516286 563309085 /nfs/dbraw/zinc/30/90/85/563309085.db2.gz XKEFMPRDPOSHOG-UKRRQHHQSA-N 1 0 386.945 2.876 20 0 GFADRO C[C@@H](C(=O)Nc1ccccc1Br)N1CCC[N@H+](CC(C)(C)O)CC1 ZINC000372548030 563309952 /nfs/dbraw/zinc/30/99/52/563309952.db2.gz PNPXPWDJUMDDLV-AWEZNQCLSA-N 1 0 398.345 2.555 20 0 GFADRO O=C(NCC[NH+]1CCC(O)CC1)c1ccc(Br)c(C(F)(F)F)c1 ZINC000297107089 563316345 /nfs/dbraw/zinc/31/63/45/563316345.db2.gz XTHGQKXQMBDKKL-UHFFFAOYSA-N 1 0 395.219 2.654 20 0 GFADRO C[C@H]([NH2+]CCNc1ccccn1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000279986858 563317743 /nfs/dbraw/zinc/31/77/43/563317743.db2.gz DZSRMFZWKLIUBM-JTQLQIEISA-N 1 0 389.308 2.799 20 0 GFADRO C[NH+](C)C1CCC(NC(=O)[C@H]2CC(=O)Nc3ccc(Br)cc32)CC1 ZINC000421681503 563318943 /nfs/dbraw/zinc/31/89/43/563318943.db2.gz XVYPDIGTPLHFFF-PIMMBPRGSA-N 1 0 394.313 2.864 20 0 GFADRO Cc1csc(C(=O)N2CCC[N@H+](CC(C)(C)O)CC2)c1Br ZINC000372849486 563319564 /nfs/dbraw/zinc/31/95/64/563319564.db2.gz WTEDDZVSEJDBRK-UHFFFAOYSA-N 1 0 375.332 2.738 20 0 GFADRO C[C@@H](Cn1ccnc1)[NH2+][C@@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000280038531 563319844 /nfs/dbraw/zinc/31/98/44/563319844.db2.gz IRPCJMUBFJLVSN-UWVGGRQHSA-N 1 0 377.297 2.577 20 0 GFADRO CN(C)c1cc[nH+]cc1C(=O)N(C)C[C@H](O)c1ccccc1Br ZINC000297237502 563320742 /nfs/dbraw/zinc/32/07/42/563320742.db2.gz SAODPLBXVMDKAX-INIZCTEOSA-N 1 0 378.270 2.716 20 0 GFADRO O=C(NC[C@H](CO)Cc1ccccc1Br)[C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC000372873879 563320854 /nfs/dbraw/zinc/32/08/54/563320854.db2.gz SVNGPQUSCUALIE-HYVNUMGLSA-N 1 0 395.341 2.591 20 0 GFADRO CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1([NH3+])C(=O)N1CCc2cccc(Br)c2C1 ZINC000372898270 563322235 /nfs/dbraw/zinc/32/22/35/563322235.db2.gz CLBXRVZMEFOLHC-ZSZQSSIHSA-N 1 0 393.325 2.866 20 0 GFADRO COc1cc(Cl)ccc1[C@@H](C)[NH2+]C[C@H]1CCCCN1S(=O)(=O)N(C)C ZINC000421851545 563323330 /nfs/dbraw/zinc/32/33/30/563323330.db2.gz GLHBNEUDLLHPRY-UKRRQHHQSA-N 1 0 389.949 2.660 20 0 GFADRO Cc1cc(NC(=O)c2ccc(S(C)(=O)=O)s2)ccc1OCC[NH+](C)C ZINC000421900104 563323722 /nfs/dbraw/zinc/32/37/22/563323722.db2.gz NPJYEHDMUHZDQH-UHFFFAOYSA-N 1 0 382.507 2.653 20 0 GFADRO Cc1cc(C)c(C(=O)N2CC[C@H](C[NH+](C)C)C2)cc1I ZINC000280129501 563323825 /nfs/dbraw/zinc/32/38/25/563323825.db2.gz MLAXLXDNNATOGL-CYBMUJFWSA-N 1 0 386.277 2.932 20 0 GFADRO CC[C@H](NC[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000280187533 563326140 /nfs/dbraw/zinc/32/61/40/563326140.db2.gz CTCWGJIKJWBUJC-DYVFJYSZSA-N 1 0 385.961 2.773 20 0 GFADRO C[C@@H]1C[C@@H](N(C)C(=O)NCCCCn2cc(Br)cn2)CC[N@@H+]1C ZINC000280206423 563326768 /nfs/dbraw/zinc/32/67/68/563326768.db2.gz FJAVXIBKLQLETR-HIFRSBDPSA-N 1 0 386.338 2.550 20 0 GFADRO CN(CCc1cccc(Br)c1)C(=O)Nc1ccnn1CC[NH+](C)C ZINC000297474113 563327053 /nfs/dbraw/zinc/32/70/53/563327053.db2.gz RQJYDFHHARPJTG-UHFFFAOYSA-N 1 0 394.317 2.914 20 0 GFADRO C[C@@H](NC(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccc(Br)cc1 ZINC000373048467 563327333 /nfs/dbraw/zinc/32/73/33/563327333.db2.gz VXDFGAMXRXXDSO-DAXOMENPSA-N 1 0 382.302 2.673 20 0 GFADRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)[C@@H]1CCCN1C(=O)c1ccc(Cl)s1 ZINC000373079589 563327781 /nfs/dbraw/zinc/32/77/81/563327781.db2.gz XMJQVHDAJGIZRC-JSGCOSHPSA-N 1 0 381.929 2.607 20 0 GFADRO C[NH+]1CCC(n2ccc(NC(=O)c3c(F)ccc(Br)c3F)n2)CC1 ZINC000373237121 563332801 /nfs/dbraw/zinc/33/28/01/563332801.db2.gz NWXGFTYOMINNNP-UHFFFAOYSA-N 1 0 399.239 3.443 20 0 GFADRO CCNc1ncc(C(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)s1 ZINC000373416035 563337412 /nfs/dbraw/zinc/33/74/12/563337412.db2.gz FRIVHJBVBPEJOA-UHFFFAOYSA-N 1 0 376.448 3.110 20 0 GFADRO Nc1cc(C(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)cc(Cl)n1 ZINC000373420340 563337441 /nfs/dbraw/zinc/33/74/41/563337441.db2.gz YEXWQKUBZPUOCW-UHFFFAOYSA-N 1 0 376.810 2.852 20 0 GFADRO CCN(CC)S(=O)(=O)c1ccc(CC[NH2+][C@H](C)c2nccn2CC)s1 ZINC000297834191 563337808 /nfs/dbraw/zinc/33/78/08/563337808.db2.gz SALNLUFMTNUPBF-CQSZACIVSA-N 1 0 384.571 2.888 20 0 GFADRO Cc1cc(NC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)cc(F)c1Br ZINC000297858814 563338034 /nfs/dbraw/zinc/33/80/34/563338034.db2.gz LTAGOZPOGJJVKG-ZIAGYGMSSA-N 1 0 398.276 2.578 20 0 GFADRO C[C@H](Cn1cc(Br)cn1)[NH2+]C[C@@H]1CC(=O)N(C)[C@H]1c1ccccc1 ZINC000373478439 563339186 /nfs/dbraw/zinc/33/91/86/563339186.db2.gz GHCBJYSQBNPVEH-XUWXXGDYSA-N 1 0 391.313 2.843 20 0 GFADRO Cc1nc2ccc(Br)cn2c1C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000373487807 563340112 /nfs/dbraw/zinc/34/01/12/563340112.db2.gz XQHQDXVPAVZJCO-CQSZACIVSA-N 1 0 377.286 2.716 20 0 GFADRO COCCC[N@@H+]1CCCN(C(=O)c2c[nH]nc2-c2ccc(Cl)s2)CC1 ZINC000373532865 563341453 /nfs/dbraw/zinc/34/14/53/563341453.db2.gz JIPYLRXKMOKFJS-UHFFFAOYSA-N 1 0 382.917 2.976 20 0 GFADRO C[C@@H]1C[C@@H](C)N(S(=O)(=O)c2cc(Cl)ccc2OC(F)F)C[C@H]1C[NH3+] ZINC000422555418 563342598 /nfs/dbraw/zinc/34/25/98/563342598.db2.gz PSDLTNQFWUVTMW-GMTAPVOTSA-N 1 0 382.860 2.935 20 0 GFADRO C[C@@H]1C[C@@H](C)N(S(=O)(=O)c2ccc(OCC(F)(F)F)cc2)C[C@H]1C[NH3+] ZINC000422558704 563343314 /nfs/dbraw/zinc/34/33/14/563343314.db2.gz ZLRAIJXRBITYHE-JHJVBQTASA-N 1 0 380.432 2.622 20 0 GFADRO Cc1ccc(Br)c(S(=O)(=O)N2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)c1 ZINC000422558388 563343441 /nfs/dbraw/zinc/34/34/41/563343441.db2.gz ZDPCQLHMJJQSCV-UPJWGTAASA-N 1 0 375.332 2.751 20 0 GFADRO O=S(=O)(c1ccc(Br)c(Cl)c1)N1CCC2(CC[NH2+]2)CC1 ZINC000422557968 563343456 /nfs/dbraw/zinc/34/34/56/563343456.db2.gz XQFXDFOCRTVYAK-UHFFFAOYSA-N 1 0 379.707 2.619 20 0 GFADRO C[C@@H](NC(=O)NC(C)(C)CC[NH3+])c1nc(-c2ccc(Br)cc2)no1 ZINC000422602847 563344660 /nfs/dbraw/zinc/34/46/60/563344660.db2.gz IMRXIEHIURJMLV-SNVBAGLBSA-N 1 0 396.289 2.987 20 0 GFADRO CCCN(C(=O)[C@H](C)[NH2+][C@H](C)c1cccc(Cl)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000298088049 563344891 /nfs/dbraw/zinc/34/48/91/563344891.db2.gz QLRLUBKQRMWQLM-JKIFEVAISA-N 1 0 386.945 2.805 20 0 GFADRO C[NH+](C)CCCN(C(=O)c1cc(Cl)ccc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000298107971 563344902 /nfs/dbraw/zinc/34/49/02/563344902.db2.gz OILMFMQDTCOFKJ-CYBMUJFWSA-N 1 0 393.336 2.574 20 0 GFADRO CO[C@H](C[NH2+][C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1)C(C)(C)C ZINC000280698952 563350730 /nfs/dbraw/zinc/35/07/30/563350730.db2.gz LFJXITRULKNDPN-IINYFYTJSA-N 1 0 393.347 2.808 20 0 GFADRO C[N@@H+]1CCC[C@@H]1C(=O)N[C@H](CO)c1ccc(Br)cc1C(F)(F)F ZINC000280708777 563350743 /nfs/dbraw/zinc/35/07/43/563350743.db2.gz XTZZWOVPQRWMHO-CHWSQXEVSA-N 1 0 395.219 2.712 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)[C@H](C(C)C)[C@H](C)[NH3+] ZINC000422930643 563350759 /nfs/dbraw/zinc/35/07/59/563350759.db2.gz VIUFGEJUVLDFLJ-BLLLJJGKSA-N 1 0 384.318 2.774 20 0 GFADRO C[C@@H](NCCC(=O)N(C)Cc1ccccc1Br)[C@@H]1CCCC[NH2+]1 ZINC000422907472 563350922 /nfs/dbraw/zinc/35/09/22/563350922.db2.gz LHOLEKLGMHEAKB-PBHICJAKSA-N 1 0 382.346 2.918 20 0 GFADRO C[C@H](c1ccccc1)[NH+]1CCC(NS(=O)(=O)c2c(Cl)cnn2C)CC1 ZINC000373793154 563351404 /nfs/dbraw/zinc/35/14/04/563351404.db2.gz SEPXSGJIQCOPSW-CYBMUJFWSA-N 1 0 382.917 2.577 20 0 GFADRO C[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000423093094 563354891 /nfs/dbraw/zinc/35/48/91/563354891.db2.gz FTRHNTFXKLEQNH-CZUORRHYSA-N 1 0 384.307 2.867 20 0 GFADRO CN(C)c1cc[nH+]cc1C(=O)N(C)C[C@H](O)c1cccc(Br)c1 ZINC000298432231 563355497 /nfs/dbraw/zinc/35/54/97/563355497.db2.gz RPUWAUSBJTYRRJ-INIZCTEOSA-N 1 0 378.270 2.716 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)[C@H]1C[C@@H](C)CC[NH2+]1 ZINC000423122536 563356158 /nfs/dbraw/zinc/35/61/58/563356158.db2.gz JTFNZPSHLFGJIN-XHDPSFHLSA-N 1 0 382.302 2.590 20 0 GFADRO C[C@@H](C[C@@H]1COCCN1)[NH2+]Cc1ccc(I)c(Cl)c1 ZINC000423117692 563356177 /nfs/dbraw/zinc/35/61/77/563356177.db2.gz WTHHOQWCHVZGDI-CMPLNLGQSA-N 1 0 394.684 2.801 20 0 GFADRO C[C@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000423118330 563356357 /nfs/dbraw/zinc/35/63/57/563356357.db2.gz ZZGJLPQIVURNTH-KZULUSFZSA-N 1 0 384.307 2.725 20 0 GFADRO COc1ccc(C[C@H](CO)C[NH2+][C@H](C)c2cnccc2N)cc1Br ZINC000423153894 563357165 /nfs/dbraw/zinc/35/71/65/563357165.db2.gz IJYNUJVPOYDEAN-OCCSQVGLSA-N 1 0 394.313 2.767 20 0 GFADRO COC[C@]1(C(=O)N2CCO[C@@H](c3cc(F)c(Cl)cc3Cl)C2)CC[NH2+]C1 ZINC000423150381 563357170 /nfs/dbraw/zinc/35/71/70/563357170.db2.gz BVZZINCPVFZNHN-WBVHZDCISA-N 1 0 391.270 2.659 20 0 GFADRO CC[C@H]([NH2+]CCCc1nc(C)no1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000280855228 563357488 /nfs/dbraw/zinc/35/74/88/563357488.db2.gz MXOFDWKILFYOTM-AWEZNQCLSA-N 1 0 386.905 2.613 20 0 GFADRO C[C@H](NC(=O)NC[C@@]1([NH+](C)C)CCSC1)c1ccc(Br)cn1 ZINC000280846690 563357550 /nfs/dbraw/zinc/35/75/50/563357550.db2.gz LAZOPYUWWLZNQP-NHYWBVRUSA-N 1 0 387.347 2.642 20 0 GFADRO Cc1c([C@@H](C)NCC2(S(C)(=O)=O)CCC2)nnn1-c1ccc(Cl)cc1 ZINC000280865574 563357893 /nfs/dbraw/zinc/35/78/93/563357893.db2.gz CNAFXSIKIJWVQU-GFCCVEGCSA-N 1 0 382.917 2.847 20 0 GFADRO CC[C@@H](CNC(=O)[C@]1(COC)CC[NH2+]C1)Cc1cccc(Br)c1 ZINC000423215848 563358493 /nfs/dbraw/zinc/35/84/93/563358493.db2.gz QYWVLGGRBYKMNH-RDTXWAMCSA-N 1 0 383.330 2.760 20 0 GFADRO CC[C@@H]([NH2+]CCCn1ccnc1C)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000280878284 563358945 /nfs/dbraw/zinc/35/89/45/563358945.db2.gz OFBGMWNYTJKUOQ-MRXNPFEDSA-N 1 0 384.933 2.884 20 0 GFADRO [NH3+][C@H](CN[C@@H]1CCS(=O)(=O)c2ccc(Br)cc21)c1ccccc1 ZINC000423249071 563359386 /nfs/dbraw/zinc/35/93/86/563359386.db2.gz SOYMKLHLKNMRAP-HZPDHXFCSA-N 1 0 395.322 2.957 20 0 GFADRO Cn1cc([C@@H](O)C[NH2+]Cc2ccc(OC(F)(F)F)c(Br)c2)cn1 ZINC000280890902 563359520 /nfs/dbraw/zinc/35/95/20/563359520.db2.gz NWDOENWUWQRWBC-LBPRGKRZSA-N 1 0 394.191 2.904 20 0 GFADRO Cn1cc(NC(=O)C(C)(C)[C@H]([NH3+])c2ccccc2)cc(Br)c1=O ZINC000423283945 563359579 /nfs/dbraw/zinc/35/95/79/563359579.db2.gz GAXILXADUNXTIP-CQSZACIVSA-N 1 0 378.270 2.813 20 0 GFADRO CCCC[C@H](C[NH3+])N[C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000423300159 563359680 /nfs/dbraw/zinc/35/96/80/563359680.db2.gz QZHJAYPSUWMLHD-OCCSQVGLSA-N 1 0 375.332 2.775 20 0 GFADRO [NH3+]CC1(CC(=O)NCc2ccc(I)c(Cl)c2)CC1 ZINC000423815982 563363499 /nfs/dbraw/zinc/36/34/99/563363499.db2.gz JLCAEORPNNKGRX-UHFFFAOYSA-N 1 0 378.641 2.690 20 0 GFADRO COC[C@]1(C(=O)N2CCC(c3ccc(Br)cc3)CC2)CC[NH2+]C1 ZINC000423838894 563363576 /nfs/dbraw/zinc/36/35/76/563363576.db2.gz IRKYYFFACUVBLS-SFHVURJKSA-N 1 0 381.314 2.781 20 0 GFADRO [NH3+][C@H](C(=O)NCc1ccc(I)c(Cl)c1)C1CCC1 ZINC000423824675 563363640 /nfs/dbraw/zinc/36/36/40/563363640.db2.gz WBNYEKZMHKJPIY-LBPRGKRZSA-N 1 0 378.641 2.688 20 0 GFADRO [NH2+]=C(NO)[C@H]1CCCCN1Cc1nc(-c2cc(Br)cs2)no1 ZINC000374172078 563363716 /nfs/dbraw/zinc/36/37/16/563363716.db2.gz HFTOIOXPIBWZMR-SECBINFHSA-N 1 0 386.275 2.871 20 0 GFADRO CC1(C)CCC[NH2+][C@@H]1C(=O)NCc1noc(-c2cccc(Br)c2)n1 ZINC000423933548 563364262 /nfs/dbraw/zinc/36/42/62/563364262.db2.gz WGQGLXACHNDZKD-CQSZACIVSA-N 1 0 393.285 2.894 20 0 GFADRO Cc1cccc(CNC(=O)c2cnn([C@@H]3CCC[NH2+]C3)c2)c1Br ZINC000423845401 563364348 /nfs/dbraw/zinc/36/43/48/563364348.db2.gz MQLVGZWNPJATKE-OAHLLOKOSA-N 1 0 377.286 2.809 20 0 GFADRO [NH3+]C[C@H](NC(=O)c1ccc(I)c(F)c1)C1CCCC1 ZINC000423954908 563365693 /nfs/dbraw/zinc/36/56/93/563365693.db2.gz KNOHVQRLLKFMJV-ZDUSSCGKSA-N 1 0 376.213 2.678 20 0 GFADRO C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1NC(=O)N1CCC=C(Br)C1 ZINC000374244098 563366040 /nfs/dbraw/zinc/36/60/40/563366040.db2.gz LKDKDVWVFRYPGM-KBMXLJTQSA-N 1 0 386.334 2.570 20 0 GFADRO C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+]CC1CCN(S(C)(=O)=O)CC1 ZINC000281092508 563366420 /nfs/dbraw/zinc/36/64/20/563366420.db2.gz ARQLFPASQMZSHL-CYBMUJFWSA-N 1 0 378.460 2.898 20 0 GFADRO CCOc1c(Br)cc(C(=O)N2C[C@@H](C)[C@](C)(C[NH3+])C2)cc1OC ZINC000423987548 563366415 /nfs/dbraw/zinc/36/64/15/563366415.db2.gz VZYFGMDMIKBMOX-PIGZYNQJSA-N 1 0 385.302 2.913 20 0 GFADRO C[C@@H]1CN(C(=O)CNC(=O)c2sc3ccccc3c2Cl)C[C@@]1(C)C[NH3+] ZINC000423975461 563366518 /nfs/dbraw/zinc/36/65/18/563366518.db2.gz MNOPOSSNKFYRAZ-ADLMAVQZSA-N 1 0 379.913 2.728 20 0 GFADRO C[C@H]1CCN(C(=O)C2CCN(C(=O)c3ccc(Cl)s3)CC2)C[C@H]1C[NH3+] ZINC000424013927 563366995 /nfs/dbraw/zinc/36/69/95/563366995.db2.gz LBOYSDFEPBUAQP-GXTWGEPZSA-N 1 0 383.945 2.697 20 0 GFADRO [NH3+]Cc1cn([C@@H]2CCCN(C(=O)c3ccc(Br)c(Cl)c3)C2)nn1 ZINC000424009338 563367043 /nfs/dbraw/zinc/36/70/43/563367043.db2.gz XVWWPAGJIBVCAB-GFCCVEGCSA-N 1 0 398.692 2.630 20 0 GFADRO C[C@H]1CCN(C(=O)c2cc(-c3ccc(Br)cc3)n[nH]2)C[C@H]1C[NH3+] ZINC000424018245 563367165 /nfs/dbraw/zinc/36/71/65/563367165.db2.gz PXPULKGJDHZZIO-WCQYABFASA-N 1 0 377.286 2.896 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)CCCCOc2ccc(Br)cc2)CCCO1 ZINC000424020284 563367755 /nfs/dbraw/zinc/36/77/55/563367755.db2.gz LVWFWMNKJIWGHD-INIZCTEOSA-N 1 0 385.302 2.574 20 0 GFADRO COCC[C@H](Cc1cccc(Br)c1)C(=O)N[C@@H]1CCC[NH2+][C@@H]1C ZINC000424047394 563368025 /nfs/dbraw/zinc/36/80/25/563368025.db2.gz VKDRYYAHQVFOLO-FRFSOERESA-N 1 0 383.330 2.901 20 0 GFADRO CN1CC[C@@H](C[NH2+]Cc2cc(Br)c3c(c2)OCCCO3)CC1=O ZINC000424188013 563372394 /nfs/dbraw/zinc/37/23/94/563372394.db2.gz KAEARNJWQXDODA-GFCCVEGCSA-N 1 0 383.286 2.568 20 0 GFADRO C[C@@H](CNC(=O)c1cc(Br)ccc1Cl)C[NH+]1CCN(C)CC1 ZINC000299013164 563373375 /nfs/dbraw/zinc/37/33/75/563373375.db2.gz MDGQMNQWIGMGHU-LBPRGKRZSA-N 1 0 388.737 2.716 20 0 GFADRO Cn1cc([C@@H]2CN(C(=O)c3c[nH]cc3-c3ccc(Cl)s3)C[C@H]2[NH3+])cn1 ZINC000424221564 563374789 /nfs/dbraw/zinc/37/47/89/563374789.db2.gz CJUIYOYOGJSCAY-UONOGXRCSA-N 1 0 375.885 2.697 20 0 GFADRO C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc(C2([NH3+])CCCCC2)no1 ZINC000424332008 563375944 /nfs/dbraw/zinc/37/59/44/563375944.db2.gz BNWFMGKBWFNSAS-NSHDSACASA-N 1 0 384.889 2.881 20 0 GFADRO COC(=O)CC1CC([NH2+]C[C@@H](CO)Cc2cccc(Br)c2C)C1 ZINC000424332014 563376210 /nfs/dbraw/zinc/37/62/10/563376210.db2.gz KGFCHTSDRWGAQJ-BBBYJDLNSA-N 1 0 384.314 2.840 20 0 GFADRO Cc1ccc(NC(=O)C(=O)N(C)CCC[NH+]2CCCC2)cc1Br ZINC000281417088 563376428 /nfs/dbraw/zinc/37/64/28/563376428.db2.gz KCZQAXNUCUTBRE-UHFFFAOYSA-N 1 0 382.302 2.640 20 0 GFADRO COc1cc(C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc(OC)c1Br ZINC000374611663 563377217 /nfs/dbraw/zinc/37/72/17/563377217.db2.gz KBEFOMXGXDMDBK-DRZSPHRISA-N 1 0 383.286 2.666 20 0 GFADRO COc1ncc(C(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)cc1Br ZINC000424571730 563382469 /nfs/dbraw/zinc/38/24/69/563382469.db2.gz XAJSHBZSRVNFBJ-HNNXBMFYSA-N 1 0 392.297 2.755 20 0 GFADRO C[N@@H+]1CCN(CCNC(=O)CSc2nc3ccccc3s2)CC1(C)C ZINC000281754080 563386345 /nfs/dbraw/zinc/38/63/45/563386345.db2.gz KTTZAVJTWUSYJS-UHFFFAOYSA-N 1 0 378.567 2.531 20 0 GFADRO Cc1nn(C)c(CN2CCC[C@@H](CNC(=O)c3ccco3)C2)c1Br ZINC000375028209 563388292 /nfs/dbraw/zinc/38/82/92/563388292.db2.gz VUFLUHQBAGRMID-ZDUSSCGKSA-N 1 0 395.301 2.726 20 0 GFADRO C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N1CC[C@H]2CC[N@H+](C)[C@H]2C1 ZINC000375038424 563388939 /nfs/dbraw/zinc/38/89/39/563388939.db2.gz KZPHCEKBXCLDDV-ZOWXZIJZSA-N 1 0 384.307 2.664 20 0 GFADRO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)c1[nH]nc(-c2ccccc2)c1Br ZINC000375059121 563388957 /nfs/dbraw/zinc/38/89/57/563388957.db2.gz NDVRNVHDQLQHFZ-RYUDHWBXSA-N 1 0 381.249 2.611 20 0 GFADRO C[C@H]([NH2+][C@@H](c1cccc(Br)c1)C1CCOCC1)C(=O)NCCF ZINC000281912802 563389925 /nfs/dbraw/zinc/38/99/25/563389925.db2.gz AAWPCJMPNRNVDH-BLLLJJGKSA-N 1 0 387.293 2.981 20 0 GFADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)Cc3noc4ccc(Br)cc43)[C@H]2C1 ZINC000424784459 563391331 /nfs/dbraw/zinc/39/13/31/563391331.db2.gz KGVXRMYZNQTODP-ABAIWWIYSA-N 1 0 378.270 2.685 20 0 GFADRO Cn1nc(Br)c2c1ncnc2NC[C@H](c1ccc(F)cc1)[NH+](C)C ZINC000301169130 563395182 /nfs/dbraw/zinc/39/51/82/563395182.db2.gz STAGUHPKSRCWSW-GFCCVEGCSA-N 1 0 393.264 2.980 20 0 GFADRO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCc1cc(Cl)cc(I)c1 ZINC000424897377 563396590 /nfs/dbraw/zinc/39/65/90/563396590.db2.gz QYJBSPAOYMNNNM-RNCFNFMXSA-N 1 0 392.668 2.759 20 0 GFADRO CC[NH+](CC)Cc1ccccc1CNc1cnn(C)c(=O)c1Br ZINC000301236539 563397060 /nfs/dbraw/zinc/39/70/60/563397060.db2.gz LXRCYLPECMHCGT-UHFFFAOYSA-N 1 0 379.302 2.997 20 0 GFADRO Cn1ncc(NC[C@H]2CC[N@H+](CCc3ccccc3)C2)c(Br)c1=O ZINC000301236165 563397356 /nfs/dbraw/zinc/39/73/56/563397356.db2.gz LTVWOTMNJZUHAA-OAHLLOKOSA-N 1 0 391.313 2.519 20 0 GFADRO COCC(C)(C)[NH+]1CCN(C(=O)Cc2sccc2Br)CC1 ZINC000424988664 563400182 /nfs/dbraw/zinc/40/01/82/563400182.db2.gz GIHIANCOIPHEKF-UHFFFAOYSA-N 1 0 375.332 2.622 20 0 GFADRO CC[NH+]1CCC(NC(=O)C2(c3ccc(I)cc3)CC2)CC1 ZINC000282171815 563400325 /nfs/dbraw/zinc/40/03/25/563400325.db2.gz VDPXBVVOSZPHFT-UHFFFAOYSA-N 1 0 398.288 2.923 20 0 GFADRO C[C@H](C[NH+]1CCN(c2ccccc2)CC1)Nc1ncc(Br)cn1 ZINC000301405243 563402216 /nfs/dbraw/zinc/40/22/16/563402216.db2.gz UCIDLUOTCJEJJE-CQSZACIVSA-N 1 0 376.302 2.862 20 0 GFADRO C[N@@H+]1CCC[C@H](N2CCN(Cc3nc4cc(Br)ccc4[nH]3)CC2)C1 ZINC000375401578 563403493 /nfs/dbraw/zinc/40/34/93/563403493.db2.gz HDJLVAOUGIICAP-HNNXBMFYSA-N 1 0 392.345 2.537 20 0 GFADRO Cc1nccn1CC(=O)Nc1cc(Br)ccc1N(C)CC[NH+](C)C ZINC000425101056 563404529 /nfs/dbraw/zinc/40/45/29/563404529.db2.gz XLHPGGBLZWKEKE-UHFFFAOYSA-N 1 0 394.317 2.591 20 0 GFADRO CC(C)(C)NC(=O)C[NH+]1CCC(CNc2cncc(Br)c2)CC1 ZINC000301507854 563405757 /nfs/dbraw/zinc/40/57/57/563405757.db2.gz AKAIYFBXPOUFMY-UHFFFAOYSA-N 1 0 383.334 2.883 20 0 GFADRO CC1CC[NH+]([C@H](CNS(=O)(=O)CCOCC2CC2)c2cccs2)CC1 ZINC000425147502 563406042 /nfs/dbraw/zinc/40/60/42/563406042.db2.gz ROQKNTXWDSCKGZ-QGZVFWFLSA-N 1 0 386.583 2.867 20 0 GFADRO Cn1cc([C@H]2C[N@H+](CCCc3c(Cl)cccc3Cl)C[C@@H]2C(N)=O)cn1 ZINC000375527351 563409071 /nfs/dbraw/zinc/40/90/71/563409071.db2.gz AFEVALVLNKKEIE-CABCVRRESA-N 1 0 381.307 2.860 20 0 GFADRO Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)[NH2+][C@H]1CCO[C@@]2(CCSC2)C1 ZINC000375655479 563413298 /nfs/dbraw/zinc/41/32/98/563413298.db2.gz COSKYRUDBVKXTJ-MPGHIAIKSA-N 1 0 384.567 2.656 20 0 GFADRO CNC(=O)[C@H]1CCC[C@@H]1Nc1cc[nH+]c2cc(OC)c(Br)cc12 ZINC000425244786 563414338 /nfs/dbraw/zinc/41/43/38/563414338.db2.gz HWYFUPUFRGBXBI-GWCFXTLKSA-N 1 0 378.270 2.754 20 0 GFADRO COc1cc2nccc(NC[C@H]3CCC[N@@H+]3CCCO)c2cc1Br ZINC000425266023 563415808 /nfs/dbraw/zinc/41/58/08/563415808.db2.gz GQBFIPVANBBQGE-CYBMUJFWSA-N 1 0 394.313 2.687 20 0 GFADRO O=S(=O)(c1cccs1)N1CC[C@H](C[NH2+]Cc2cc(F)c(F)cc2F)C1 ZINC000375745997 563417063 /nfs/dbraw/zinc/41/70/63/563417063.db2.gz SLBOLGJCBMDPKF-LLVKDONJSA-N 1 0 390.452 2.966 20 0 GFADRO CCOCCOc1ccc(Br)cc1C[N@@H+]1CC[C@@H](c2nnc[nH]2)C1 ZINC000425356528 563418955 /nfs/dbraw/zinc/41/89/55/563418955.db2.gz NTZXTJGGPGPEPI-CYBMUJFWSA-N 1 0 395.301 2.972 20 0 GFADRO COC(=O)[C@@H]1C[N@H+](Cc2cn(C)nc2C)C[C@H]1c1ccc(Br)cc1 ZINC000425352921 563418986 /nfs/dbraw/zinc/41/89/86/563418986.db2.gz YFNRBDSTULDTGF-DLBZAZTESA-N 1 0 392.297 2.880 20 0 GFADRO CC(C)n1cc([C@H](C)[NH2+]C[C@H]2CCN(S(=O)(=O)c3cccs3)C2)cn1 ZINC000375840835 563420902 /nfs/dbraw/zinc/42/09/02/563420902.db2.gz QLPBYUQHHMGHGR-LSDHHAIUSA-N 1 0 382.555 2.887 20 0 GFADRO Cc1cc(N2CCN(S(=O)(=O)c3cccc4c3N=S=N4)CC2)cc[nH+]1 ZINC000302318062 563424679 /nfs/dbraw/zinc/42/46/79/563424679.db2.gz QOUFFRLGMOITPZ-UHFFFAOYSA-N 1 0 375.479 2.627 20 0 GFADRO COCC(C)(C)[NH+]1CCN([C@@H](C)C(=O)Nc2ccccc2Br)CC1 ZINC000425507294 563425618 /nfs/dbraw/zinc/42/56/18/563425618.db2.gz MDMXNLMDCVPVJU-AWEZNQCLSA-N 1 0 398.345 2.819 20 0 GFADRO CN(C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1)C(=O)NC[C@@H]1CSCCS1 ZINC000375978290 563425902 /nfs/dbraw/zinc/42/59/02/563425902.db2.gz XYVITAAUGNSMDK-BBWFWOEESA-N 1 0 380.583 2.564 20 0 GFADRO c1nc(NCC2([NH+]3CCSCC3)CCCC2)cc(N2CCSCC2)n1 ZINC000302803883 563430267 /nfs/dbraw/zinc/43/02/67/563430267.db2.gz VMSVUCNJULEFIJ-UHFFFAOYSA-N 1 0 379.599 2.803 20 0 GFADRO C[N@@H+]1C[C@@H]2CCCN(C(=O)N[C@@H]3COc4cc(F)c(Br)cc43)[C@@H]2C1 ZINC000425756250 563435646 /nfs/dbraw/zinc/43/56/46/563435646.db2.gz MIERTSYNRIKTGC-COLVAYQJSA-N 1 0 398.276 2.757 20 0 GFADRO CCC[NH+]1CCC(N(C)C(=O)C(=O)NCc2ccc(Cl)cc2Cl)CC1 ZINC000283195784 563438250 /nfs/dbraw/zinc/43/82/50/563438250.db2.gz FEHBULZJHYPCGW-UHFFFAOYSA-N 1 0 386.323 2.942 20 0 GFADRO Cc1ccc(Br)cc1CN1C(=O)N[C@]2(CCCC[C@H]2C[NH3+])C1=O ZINC000313751885 563438295 /nfs/dbraw/zinc/43/82/95/563438295.db2.gz FYVAEKRGMUYCRE-GUYCJALGSA-N 1 0 380.286 2.697 20 0 GFADRO Cc1c(C(=O)N[C@@H]2CCC[NH2+]CC2)cnn1-c1ccc(Br)cc1 ZINC000376388035 563440544 /nfs/dbraw/zinc/44/05/44/563440544.db2.gz RCERSVYIJGIRPE-CQSZACIVSA-N 1 0 377.286 2.815 20 0 GFADRO CCOc1ccc(Br)cc1S(=O)(=O)N1CCC(CC[NH3+])CC1 ZINC000316087309 563440766 /nfs/dbraw/zinc/44/07/66/563440766.db2.gz AEQCHXFRPILNJW-UHFFFAOYSA-N 1 0 391.331 2.597 20 0 GFADRO Cc1cc(N2CCC[C@H]([N@H+]3CC[C@@H](O)[C@@H](C)C3)C2=O)ccc1Br ZINC000426135626 563444988 /nfs/dbraw/zinc/44/49/88/563444988.db2.gz HFDUUAKGRAGHFA-RRQGHBQHSA-N 1 0 381.314 2.956 20 0 GFADRO Cc1cc(NC(=O)C(=O)N2CCC(C[NH+](C)C)CC2)cc(C)c1Br ZINC000426169597 563445562 /nfs/dbraw/zinc/44/55/62/563445562.db2.gz FYJYQEDCKNFJAK-UHFFFAOYSA-N 1 0 396.329 2.805 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NCc2ccc(Cl)cc2Cl)[C@H](C)C1 ZINC000283475820 563446048 /nfs/dbraw/zinc/44/60/48/563446048.db2.gz XKBLRTUSRYDGCK-WBMJQRKESA-N 1 0 386.323 2.798 20 0 GFADRO O[C@@H](C[NH2+]C[C@H]1Cc2ccccc2O1)COc1cccc(Br)c1 ZINC000320580133 563447047 /nfs/dbraw/zinc/44/70/47/563447047.db2.gz AKXNPUREXGMIDK-DOTOQJQBSA-N 1 0 378.266 2.782 20 0 GFADRO CC(C)c1nnc(CC[NH2+][C@@H]2CCCc3ccc(S(N)(=O)=O)cc32)s1 ZINC000426299863 563448545 /nfs/dbraw/zinc/44/85/45/563448545.db2.gz ZKCHMYSMGNKYGQ-OAHLLOKOSA-N 1 0 380.539 2.519 20 0 GFADRO O=C(Nc1ncc(C(F)(F)F)s1)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000283608295 563449163 /nfs/dbraw/zinc/44/91/63/563449163.db2.gz NIGPGFUKZWPZLE-NSHDSACASA-N 1 0 378.420 2.738 20 0 GFADRO COC(=O)c1ccc(CN[C@H](C)C(=O)N2CCCCC2)c(Br)c1 ZINC000322795393 563450137 /nfs/dbraw/zinc/45/01/37/563450137.db2.gz AWNVUNIYEUWBMO-GFCCVEGCSA-N 1 0 383.286 2.726 20 0 GFADRO CCC[C@@H]([NH3+])c1cn(CC(=O)N[C@H](C)c2ccc(Br)cc2)nn1 ZINC000323588906 563450498 /nfs/dbraw/zinc/45/04/98/563450498.db2.gz BTXCRTPLXPCQDJ-BXUZGUMPSA-N 1 0 380.290 2.718 20 0 GFADRO CNC(=O)C[C@@H](C)[NH2+]Cc1cc(Br)c(OC)c(Br)c1 ZINC000323078206 563450628 /nfs/dbraw/zinc/45/06/28/563450628.db2.gz YFCBYHQBOIFFEC-MRVPVSSYSA-N 1 0 394.107 2.834 20 0 GFADRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)NC[C@@H](O)c2cccc(Br)c2)C1 ZINC000283677745 563451350 /nfs/dbraw/zinc/45/13/50/563451350.db2.gz MSMHIOFLQCGWHI-RHSMWYFYSA-N 1 0 398.345 2.902 20 0 GFADRO CN(CCn1cc(Br)cn1)C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000426509984 563452139 /nfs/dbraw/zinc/45/21/39/563452139.db2.gz UZGXSFBNTHKYEY-MRXNPFEDSA-N 1 0 383.334 2.901 20 0 GFADRO CNC(=O)c1cccc(NC(=O)N2CC[C@@H]([NH+]3CCCC3)C2)c1Br ZINC000376754614 563452947 /nfs/dbraw/zinc/45/29/47/563452947.db2.gz INJAIZFDJKIKCO-GFCCVEGCSA-N 1 0 395.301 2.511 20 0 GFADRO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000283866400 563456957 /nfs/dbraw/zinc/45/69/57/563456957.db2.gz HGOLPRLLCGNGRN-UHFFFAOYSA-N 1 0 384.307 2.695 20 0 GFADRO C[C@H](CO)[N@@H+]1CCCN(C(=O)Nc2c(F)cc(Br)cc2F)CC1 ZINC000376959222 563459307 /nfs/dbraw/zinc/45/93/07/563459307.db2.gz XKEAZLJAXUMCCY-SNVBAGLBSA-N 1 0 392.244 2.648 20 0 GFADRO Cc1ccc(Br)nc1C(=O)N(C)C1CC[NH+](C2CCOCC2)CC1 ZINC000376953778 563459338 /nfs/dbraw/zinc/45/93/38/563459338.db2.gz HEMKMZCKEIHMME-UHFFFAOYSA-N 1 0 396.329 2.868 20 0 GFADRO O=C(N[C@@H](c1cncc(Br)c1)C1CC1)N1CC[NH+]2CCC1CC2 ZINC000376990410 563460703 /nfs/dbraw/zinc/46/07/03/563460703.db2.gz AIQZHGWUEWIHEL-MRXNPFEDSA-N 1 0 379.302 2.785 20 0 GFADRO CS[C@@H]1CN(S(=O)(=O)c2cccc(-c3nc(C)cs3)c2)C[C@H]1[NH+](C)C ZINC000328672128 563462598 /nfs/dbraw/zinc/46/25/98/563462598.db2.gz NWZIEOLNYYHNDG-HZPDHXFCSA-N 1 0 397.591 2.785 20 0 GFADRO COc1ccc(Cl)cc1NC(=O)CC[NH2+][C@H]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000284083580 563463775 /nfs/dbraw/zinc/46/37/75/563463775.db2.gz LXAMXLRGGUGDCJ-UONOGXRCSA-N 1 0 388.917 2.623 20 0 GFADRO O=C(CCNC(=O)C[C@@H]1CCC[NH2+]CC1)Nc1ccc(Br)cc1 ZINC000427344963 563466250 /nfs/dbraw/zinc/46/62/50/563466250.db2.gz CNEYTPKQTUQKLJ-CYBMUJFWSA-N 1 0 382.302 2.674 20 0 GFADRO Cc1csc(-c2cccc(S(=O)(=O)N3C[C@H]4CCC[N@H+]4C[C@@H]3C)c2)n1 ZINC000328828376 563466411 /nfs/dbraw/zinc/46/64/11/563466411.db2.gz QQKWVTYCKFXUBW-GOEBONIOSA-N 1 0 377.535 2.976 20 0 GFADRO Cc1ncc(C[N@@H+]2CC[C@@H](NC(=O)c3c(C)nn(C)c3Cl)[C@H](C)C2)s1 ZINC000377230580 563467962 /nfs/dbraw/zinc/46/79/62/563467962.db2.gz CSWZIKQXGWEEJO-QMTHXVAHSA-N 1 0 381.933 2.787 20 0 GFADRO CCN(Cc1ccc(Cl)s1)C(=O)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000284230048 563468138 /nfs/dbraw/zinc/46/81/38/563468138.db2.gz UOFJBRVVDHHCEG-UHFFFAOYSA-N 1 0 383.945 2.741 20 0 GFADRO C[C@H](O)C[N@@H+]1CCN(Cc2nc(-c3cccc(Br)c3)c[nH]2)[C@H](C)C1 ZINC000328925077 563468443 /nfs/dbraw/zinc/46/84/43/563468443.db2.gz OACLYZNQVGPXLA-KGLIPLIRSA-N 1 0 393.329 2.726 20 0 GFADRO COCC[C@H](Cc1cccc(Br)c1)C(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000427570934 563470040 /nfs/dbraw/zinc/47/00/40/563470040.db2.gz BFCFCVGYBGDXEI-LXZKKBNFSA-N 1 0 383.330 2.759 20 0 GFADRO CS(=O)(=O)N1CC[C@H](C[N@@H+]2CCCCC[C@H]2C[C@@H](O)c2cccs2)C1 ZINC000377289357 563470281 /nfs/dbraw/zinc/47/02/81/563470281.db2.gz ULDPQZAVHOTNJY-IXDOHACOSA-N 1 0 386.583 2.698 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)C(=O)N[C@H]1CCCc2sccc21)c1cccs1 ZINC000284378880 563473310 /nfs/dbraw/zinc/47/33/10/563473310.db2.gz LZVGCPAALHILEV-UONOGXRCSA-N 1 0 377.535 2.722 20 0 GFADRO COC(=O)c1ccc(C[NH2+]CC[S@@](=O)C(C)(C)C)c(Br)c1 ZINC000284402231 563473668 /nfs/dbraw/zinc/47/36/68/563473668.db2.gz PWCLKSLGFOMPQO-OAQYLSRUSA-N 1 0 376.316 2.873 20 0 GFADRO COc1ncc([C@@H](C)[NH2+]C2CCN(S(=O)(=O)C(C)(C)C)CC2)cc1Cl ZINC000284406858 563474145 /nfs/dbraw/zinc/47/41/45/563474145.db2.gz QAYHTJIIYTXAQO-GFCCVEGCSA-N 1 0 389.949 2.987 20 0 GFADRO CN1CC[C@H]([NH2+]CC(=O)Nc2ccc(Br)cn2)[C@@H]1c1ccccc1 ZINC000284436900 563474462 /nfs/dbraw/zinc/47/44/62/563474462.db2.gz YZTOSWBDRKDSEI-YJBOKZPZSA-N 1 0 389.297 2.818 20 0 GFADRO O=C(Nc1cnccc1-n1ccnn1)c1c(F)ccc(Br)c1F ZINC000377447853 563475140 /nfs/dbraw/zinc/47/51/40/563475140.db2.gz LZFMZTXJBCPPKE-UHFFFAOYSA-N 1 0 380.152 2.955 20 0 GFADRO CCOc1ccc(Br)cc1NC(=O)N1CC[C@H]2OCCN(C)[C@H]2C1 ZINC000284476049 563476262 /nfs/dbraw/zinc/47/62/62/563476262.db2.gz AMVMZWOBZSEXDF-GOEBONIOSA-N 1 0 398.301 2.785 20 0 GFADRO Cc1nc(S(=O)(=O)N[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)sc1C ZINC000329260858 563476596 /nfs/dbraw/zinc/47/65/96/563476596.db2.gz ZBOCQMSZSBCUJF-RHSMWYFYSA-N 1 0 379.551 2.949 20 0 GFADRO C[NH+](C)CCN1CCCN(C(=O)[C@@H]2C[C@@H]2c2cccc(Br)c2)CC1 ZINC000377538080 563478557 /nfs/dbraw/zinc/47/85/57/563478557.db2.gz RWLANVANVDSMTH-QZTJIDSGSA-N 1 0 394.357 2.649 20 0 GFADRO C[N@@H+](Cc1cnc(-c2ccc(Cl)cc2)s1)C[C@@H](O)CN1CCOCC1 ZINC000284525215 563478602 /nfs/dbraw/zinc/47/86/02/563478602.db2.gz ZMFCIYSVVWXJII-MRXNPFEDSA-N 1 0 381.929 2.588 20 0 GFADRO COc1cc(Br)ccc1CN1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000377626796 563481961 /nfs/dbraw/zinc/48/19/61/563481961.db2.gz MRQMLHSPXHKMHR-UHFFFAOYSA-N 1 0 396.373 2.917 20 0 GFADRO CC(C)[N@@H+]1CCc2nc(CN3CC[C@H](C(F)(F)F)[C@H](CO)C3)sc2C1 ZINC000377691465 563483327 /nfs/dbraw/zinc/48/33/27/563483327.db2.gz AAUVBFKIHSBYNA-STQMWFEESA-N 1 0 377.476 2.902 20 0 GFADRO C[C@@H]1C[C@H](C)CN(S(=O)(=O)NC[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)C1 ZINC000329618643 563483946 /nfs/dbraw/zinc/48/39/46/563483946.db2.gz LZMVCAPBJLUHBW-KYHPRHEASA-N 1 0 385.599 2.943 20 0 GFADRO C[N@@H+]1CCC[C@H](N2CCN(CC(=O)Nc3c(Cl)cccc3Cl)CC2)C1 ZINC000377746278 563485738 /nfs/dbraw/zinc/48/57/38/563485738.db2.gz PTLSHAOAGBOEOH-AWEZNQCLSA-N 1 0 385.339 2.644 20 0 GFADRO C[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccc(Cl)nc2)[C@H]1c1cccs1 ZINC000377765925 563485798 /nfs/dbraw/zinc/48/57/98/563485798.db2.gz YCQZFKKENXIXEZ-NHYWBVRUSA-N 1 0 378.885 2.544 20 0 GFADRO Cc1cc(Br)cc(CN2CC[NH+](C[C@H](C)O)CC2)c1OC(F)F ZINC000428396415 563489996 /nfs/dbraw/zinc/48/99/96/563489996.db2.gz GSHARAVQGXQULK-LBPRGKRZSA-N 1 0 393.272 2.857 20 0 GFADRO NC(=O)c1ncc(Br)cc1N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000329895370 563491043 /nfs/dbraw/zinc/49/10/43/563491043.db2.gz BUEGSSWFVOTGEO-AWEZNQCLSA-N 1 0 397.317 2.809 20 0 GFADRO Cc1cc(NC(=O)CN2C[C@@H](C)O[C@]3(CCCOC3)C2)ccc1Br ZINC000330141830 563497054 /nfs/dbraw/zinc/49/70/54/563497054.db2.gz XWNKUGJNWMMZKM-RDTXWAMCSA-N 1 0 397.313 2.966 20 0 GFADRO COc1ccc(Br)cc1CC(=O)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000378234868 563499566 /nfs/dbraw/zinc/49/95/66/563499566.db2.gz MRSNYIVCMJRCFW-XJKSGUPXSA-N 1 0 381.314 2.991 20 0 GFADRO O=S(=O)(Cc1cccc(C(F)(F)F)c1)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000378227429 563499675 /nfs/dbraw/zinc/49/96/75/563499675.db2.gz MUSNELHORLIAFO-GOEBONIOSA-N 1 0 376.444 2.999 20 0 GFADRO O=C(Nc1ccn(-c2cc[nH+]cc2)n1)c1cc(Br)c(F)cc1F ZINC000428724117 563500866 /nfs/dbraw/zinc/50/08/66/563500866.db2.gz LLQHWLAZFALKLR-UHFFFAOYSA-N 1 0 379.164 3.560 20 0 GFADRO C[C@H]1CN(C(=O)Nc2ccccc2Br)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000378305942 563501807 /nfs/dbraw/zinc/50/18/07/563501807.db2.gz NMXIHRRQSZTYMV-WMLDXEAASA-N 1 0 395.345 2.939 20 0 GFADRO C[N@H+](C[C@H]1CC12CCN(C(=O)c1c[nH]c(=O)c(Br)c1)CC2)C1CC1 ZINC000378352957 563503772 /nfs/dbraw/zinc/50/37/72/563503772.db2.gz DNXGSQAHJWYKMI-CYBMUJFWSA-N 1 0 394.313 2.886 20 0 GFADRO C[N@H+](C[C@H]1CC12CCN(C(=O)CSc1n[n-]c(=S)s1)CC2)C1CC1 ZINC000378354867 563503939 /nfs/dbraw/zinc/50/39/39/563503939.db2.gz LIODJHKFHFTISV-LLVKDONJSA-N 1 0 384.596 2.642 20 0 GFADRO COC(=O)c1ccc(Br)cc1CN1CC[N@H+](CC(C)(C)O)C[C@@H]1C ZINC000330426582 563505483 /nfs/dbraw/zinc/50/54/83/563505483.db2.gz FIOYLHKLVRQDOT-ZDUSSCGKSA-N 1 0 399.329 2.513 20 0 GFADRO O=C(COc1ccc(Cl)cc1Cl)Nc1ccc(N2CC[NH2+]CC2)cn1 ZINC000429038680 563508822 /nfs/dbraw/zinc/50/88/22/563508822.db2.gz GCPXXSKCIAAAGF-UHFFFAOYSA-N 1 0 381.263 2.816 20 0 GFADRO CN(C[C@H]1CCC[N@H+](C[C@H](O)c2ccc(Cl)cc2Cl)C1)S(C)(=O)=O ZINC000285222039 563509130 /nfs/dbraw/zinc/50/91/30/563509130.db2.gz ANUIUHHFUCKWLY-WBMJQRKESA-N 1 0 395.352 2.630 20 0 GFADRO CC(C)c1ccc(Cl)c(S(=O)(=O)N[C@@H](C)CCN2CC[NH+](C)CC2)c1 ZINC000330534050 563509689 /nfs/dbraw/zinc/50/96/89/563509689.db2.gz UNRALFDWLVZEPZ-HNNXBMFYSA-N 1 0 387.977 2.768 20 0 GFADRO C[C@@H]([NH2+]Cc1ccc(S(=O)(=O)N(C)C)cc1)[C@H]1OCCc2sccc21 ZINC000429124566 563510196 /nfs/dbraw/zinc/51/01/96/563510196.db2.gz VYPRBHGPLHMMCG-FZKQIMNGSA-N 1 0 380.535 2.791 20 0 GFADRO CC(C)[C@H]([NH3+])CNC(=O)c1nn(-c2cccc(Br)c2)c2c1CCC2 ZINC000429150456 563510619 /nfs/dbraw/zinc/51/06/19/563510619.db2.gz OHXVEBDDWVFCKB-OAHLLOKOSA-N 1 0 391.313 2.837 20 0 GFADRO Cc1[nH]cc(C(=O)N2CCC[C@H](C[NH+]3CCCCC3)C2)c(=O)c1Br ZINC000378582614 563511737 /nfs/dbraw/zinc/51/17/37/563511737.db2.gz XPNZTACGYAGRJR-CQSZACIVSA-N 1 0 396.329 2.784 20 0 GFADRO COCC[C@H](Cc1cccc(Br)c1)C(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000429177793 563511862 /nfs/dbraw/zinc/51/18/62/563511862.db2.gz CVNNZCHEBPHHJR-YSVLISHTSA-N 1 0 383.330 2.840 20 0 GFADRO CC1(C)NC(=O)N(CC[NH2+][C@@H]2c3cc(Br)ccc3CC2(C)C)C1=O ZINC000429286968 563513615 /nfs/dbraw/zinc/51/36/15/563513615.db2.gz LAMDXYQBLGWAQP-CQSZACIVSA-N 1 0 394.313 2.993 20 0 GFADRO COc1nc(N2CC[N@H+](Cc3ccccc3)C[C@H]2C)ncc1Br ZINC000383045031 563516454 /nfs/dbraw/zinc/51/64/54/563516454.db2.gz UYCAOADDBKTLMP-CYBMUJFWSA-N 1 0 377.286 2.958 20 0 GFADRO CN(C(=O)c1ccc(I)c(Cl)c1)C1(C[NH3+])CCC1 ZINC000385370790 563518050 /nfs/dbraw/zinc/51/80/50/563518050.db2.gz XLXRRGXCUHZSOI-UHFFFAOYSA-N 1 0 378.641 2.898 20 0 GFADRO C[NH+](C)C1(CNC(=O)C(C)(C)S(=O)(=O)c2ccc(Cl)cc2)CCCC1 ZINC000330729324 563519113 /nfs/dbraw/zinc/51/91/13/563519113.db2.gz HHSIDAZTCTVEED-UHFFFAOYSA-N 1 0 386.945 2.883 20 0 GFADRO CCOc1ccc(Br)cc1S(=O)(=O)N1CCCC[C@@H]1CC[NH3+] ZINC000387144329 563519932 /nfs/dbraw/zinc/51/99/32/563519932.db2.gz DSWPTLYVDHBBKC-CYBMUJFWSA-N 1 0 391.331 2.740 20 0 GFADRO O=c1cc(C[N@H+]2CCC[C@@](O)(C(F)(F)F)CC2)nc2ccc(Cl)cn12 ZINC000285419801 563520222 /nfs/dbraw/zinc/52/02/22/563520222.db2.gz DOSSMDYFXHPVSM-HNNXBMFYSA-N 1 0 375.778 2.627 20 0 GFADRO CCCN([C@H]1CC[NH2+]C1)S(=O)(=O)c1cc(Br)ccc1OCC ZINC000388177297 563520643 /nfs/dbraw/zinc/52/06/43/563520643.db2.gz LEEZTYSEQRNDPQ-ZDUSSCGKSA-N 1 0 391.331 2.610 20 0 GFADRO CS(=O)(=O)N[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc(-c2ccc(Cl)cc2)no1 ZINC000429726269 563521001 /nfs/dbraw/zinc/52/10/01/563521001.db2.gz UULASPIKDDBGEU-JKSUJKDBSA-N 1 0 383.901 2.945 20 0 GFADRO O=S(=O)(c1ccc(Br)c(F)c1)N1CCC2(CC[NH2+]CC2)CC1 ZINC000389509196 563521871 /nfs/dbraw/zinc/52/18/71/563521871.db2.gz DROWBWPPNIAAQZ-UHFFFAOYSA-N 1 0 391.306 2.743 20 0 GFADRO [NH3+]C[C@H]1CCCC[C@@]12NC(=O)N(Cc1ccc(F)cc1Br)C2=O ZINC000390892406 563523307 /nfs/dbraw/zinc/52/33/07/563523307.db2.gz CPDOODGIQCTNKR-BDJLRTHQSA-N 1 0 384.249 2.528 20 0 GFADRO CCN1C[C@@H]([NH2+]Cc2ccc(Br)c(Br)c2)CC1=O ZINC000391575176 563525381 /nfs/dbraw/zinc/52/53/81/563525381.db2.gz XYSGSZXIIUCOHC-JTQLQIEISA-N 1 0 376.092 2.922 20 0 GFADRO C[C@H](NC(=O)c1ccc(Br)cc1)C(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000330900016 563526254 /nfs/dbraw/zinc/52/62/54/563526254.db2.gz JPRUFJVEBDKJAY-DVOMOZLQSA-N 1 0 396.329 2.509 20 0 GFADRO C[NH+](C)[C@H]1CCCN(S(=O)(=O)c2cc(Cl)ccc2Br)C1 ZINC000429867269 563526534 /nfs/dbraw/zinc/52/65/34/563526534.db2.gz LKELTIBSBKFRDB-NSHDSACASA-N 1 0 381.723 2.817 20 0 GFADRO O=C(NCC[N@H+]1CC=CCC1)c1ccc(I)c(Cl)c1 ZINC000392816364 563528041 /nfs/dbraw/zinc/52/80/41/563528041.db2.gz MEJMETHDDJKINN-UHFFFAOYSA-N 1 0 390.652 2.936 20 0 GFADRO COC(=O)[C@H](NC(=O)C[C@H](C)[C@H]1CCC[NH2+]C1)c1ccc(Br)cc1 ZINC000429912906 563529061 /nfs/dbraw/zinc/52/90/61/563529061.db2.gz YWERECZXDWOICB-RVSPLBMKSA-N 1 0 397.313 2.805 20 0 GFADRO C[NH+](C)CC[C@](C)(O)CNC(=O)c1ccc(Br)cc1C(F)(F)F ZINC000429936405 563529267 /nfs/dbraw/zinc/52/92/67/563529267.db2.gz OFPVDNCUTPAJKH-AWEZNQCLSA-N 1 0 397.235 2.900 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2cc3ccc(Br)cn3n2)[C@H](C)C1 ZINC000429952211 563530196 /nfs/dbraw/zinc/53/01/96/563530196.db2.gz WLEYWDYEAQTUIE-IUODEOHRSA-N 1 0 394.317 3.291 20 0 GFADRO C[NH+](C)C[C@@](C)(O)CNCc1cc(Br)cc(Br)c1 ZINC000394547633 563530260 /nfs/dbraw/zinc/53/02/60/563530260.db2.gz ZZZLZLCQIAHPEZ-ZDUSSCGKSA-N 1 0 380.124 2.614 20 0 GFADRO OCC[C@H]([NH2+]C[C@@H](O)COC1CCOCC1)c1ccc(Cl)c(Cl)c1 ZINC000285636602 563530371 /nfs/dbraw/zinc/53/03/71/563530371.db2.gz RNSGPUXMEAZNID-DYVFJYSZSA-N 1 0 378.296 2.563 20 0 GFADRO OCC[C@H]([NH2+]C[C@H](O)COC1CCOCC1)c1ccc(Cl)c(Cl)c1 ZINC000285636605 563530408 /nfs/dbraw/zinc/53/04/08/563530408.db2.gz RNSGPUXMEAZNID-GUYCJALGSA-N 1 0 378.296 2.563 20 0 GFADRO C[C@H]([NH2+]C[C@@H](O)COC1CCOCC1)c1ccc(Br)cc1F ZINC000285659177 563530534 /nfs/dbraw/zinc/53/05/34/563530534.db2.gz MSCVLHVYJJDAKQ-WCQYABFASA-N 1 0 376.266 2.795 20 0 GFADRO C[NH+]1CC2(C1)CCN(C(=O)c1cc(Br)ccc1Br)C2 ZINC000398650865 563532477 /nfs/dbraw/zinc/53/24/77/563532477.db2.gz BABOUQIBGKQHFR-UHFFFAOYSA-N 1 0 388.103 2.989 20 0 GFADRO C[C@@H]([NH2+]C[C@H]1CNC(=O)C1)c1ccc(Br)cc1Br ZINC000398399742 563532811 /nfs/dbraw/zinc/53/28/11/563532811.db2.gz MYZIPUOALYDXAN-BDAKNGLRSA-N 1 0 376.092 2.998 20 0 GFADRO C[N@@H+]1CC[C@]2(CCN(Cc3cn(-c4ccccc4Br)nn3)C2)C1 ZINC000430127560 563534438 /nfs/dbraw/zinc/53/44/38/563534438.db2.gz RUNBCGBNBPYQIJ-KRWDZBQOSA-N 1 0 376.302 2.557 20 0 GFADRO C[C@@H]1CCCN(CCS(=O)(=O)c2ccc(Br)cc2)[C@H]1CC[NH3+] ZINC000404353451 563537244 /nfs/dbraw/zinc/53/72/44/563537244.db2.gz KJADVHVGWLAKPC-CJNGLKHVSA-N 1 0 389.359 2.672 20 0 GFADRO C[S@@](=O)C1(C[NH2+]Cc2cc(Cl)ccc2I)CC1 ZINC000405435241 563539553 /nfs/dbraw/zinc/53/95/53/563539553.db2.gz JFZJAWOBMKECII-QGZVFWFLSA-N 1 0 383.682 2.945 20 0 GFADRO Cc1cc([C@H]2CCC[N@@H+]2C[C@@H](O)CN2CCOCC2)ccc1Br ZINC000430230346 563539761 /nfs/dbraw/zinc/53/97/61/563539761.db2.gz YCPKJMFUPYCKBM-FUHWJXTLSA-N 1 0 383.330 2.588 20 0 GFADRO CS(=O)(=O)N[C@H]1CCCC[C@@H]1[NH2+]Cc1cc(F)ccc1Br ZINC000331207393 563540030 /nfs/dbraw/zinc/54/00/30/563540030.db2.gz YUHMVIJKZICYIF-KBPBESRZSA-N 1 0 379.295 2.538 20 0 GFADRO COc1cc(Cl)c(S(=O)(=O)N[C@H]2CCC[N@@H+](C(C)C)C2)cc1OC ZINC000331220856 563541537 /nfs/dbraw/zinc/54/15/37/563541537.db2.gz JTOURJJYLUXAKR-LBPRGKRZSA-N 1 0 376.906 2.508 20 0 GFADRO CCN(Cc1ccc(Cl)s1)C(=O)C(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000286047356 563546564 /nfs/dbraw/zinc/54/65/64/563546564.db2.gz VINJGUSLHOVKQT-CQSZACIVSA-N 1 0 385.961 2.987 20 0 GFADRO C[C@H]([NH2+]C[C@@H]1CCC(C)(C)O1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430752588 563548997 /nfs/dbraw/zinc/54/89/97/563548997.db2.gz HIYVBQOIVNTKLR-JQWIXIFHSA-N 1 0 391.331 2.705 20 0 GFADRO C[C@H]([NH3+])C1CCN(Cc2csc(-c3ccc(S(C)(=O)=O)cc3)n2)CC1 ZINC000430959180 563550713 /nfs/dbraw/zinc/55/07/13/563550713.db2.gz WWUWKMLFSANEEJ-ZDUSSCGKSA-N 1 0 379.551 2.773 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CCCN(CC(=O)Nc2c(F)cc(F)cc2Br)C1 ZINC000430962188 563550803 /nfs/dbraw/zinc/55/08/03/563550803.db2.gz GJCFNVXXCIOSST-ZJUUUORDSA-N 1 0 376.245 2.725 20 0 GFADRO C[NH+](C)[C@H](CNc1cc(S(=O)(=O)N2CCCC2)ccn1)c1ccsc1 ZINC000286189102 563551537 /nfs/dbraw/zinc/55/15/37/563551537.db2.gz QTPXQXQDWNEITC-MRXNPFEDSA-N 1 0 380.539 2.642 20 0 GFADRO COc1ccc([C@H]2CC[NH2+]C[C@@H]2NS(=O)(=O)c2sc(C)cc2C)cc1 ZINC000431020727 563551591 /nfs/dbraw/zinc/55/15/91/563551591.db2.gz DCVDEJLKXNFTQS-SJORKVTESA-N 1 0 380.535 2.798 20 0 GFADRO C[C@@H]1[C@H](C)N(C(=O)Nc2nnc(-c3c(F)cccc3Cl)s2)CC[N@H+]1C ZINC000408342336 563552045 /nfs/dbraw/zinc/55/20/45/563552045.db2.gz KBBMJWUEJVMAMB-ZJUUUORDSA-N 1 0 383.880 3.554 20 0 GFADRO CC[NH+](CC)CCS(=O)(=O)N1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000331542794 563553281 /nfs/dbraw/zinc/55/32/81/563553281.db2.gz LNZLDHRHULDVDZ-OAHLLOKOSA-N 1 0 385.599 2.873 20 0 GFADRO C[C@H](c1ccc(Cl)cc1)N1CC[NH+](C[C@@H](O)COCC(F)(F)F)CC1 ZINC000431124886 563554085 /nfs/dbraw/zinc/55/40/85/563554085.db2.gz LVCQZTVYHVMLBJ-CZUORRHYSA-N 1 0 380.838 2.958 20 0 GFADRO COc1cccc(NC(=O)C[NH2+][C@](C)(CO)c2ccc(Br)cc2)c1 ZINC000286263637 563554508 /nfs/dbraw/zinc/55/45/08/563554508.db2.gz BCQBLKVXQBSBTC-GOSISDBHSA-N 1 0 393.281 2.894 20 0 GFADRO C[NH+](C)CCCOC1CCN(S(=O)(=O)Cc2cc(Cl)ccc2F)CC1 ZINC000431279287 563557895 /nfs/dbraw/zinc/55/78/95/563557895.db2.gz KJOMXNQOQLKNNN-UHFFFAOYSA-N 1 0 392.924 2.742 20 0 GFADRO C[C@@H](NC(=O)c1cc(Cl)sc1Cl)C(=O)NCC[NH+]1CCCCC1 ZINC000331702858 563558438 /nfs/dbraw/zinc/55/84/38/563558438.db2.gz GCWVLYYRPFSGCH-SNVBAGLBSA-N 1 0 378.325 2.775 20 0 GFADRO Cc1cc(Br)cc2cc(C(=O)NC[C@@](C)(O)CC[NH+](C)C)oc21 ZINC000431377109 563559334 /nfs/dbraw/zinc/55/93/34/563559334.db2.gz XUHXFVCMQBDIAV-KRWDZBQOSA-N 1 0 383.286 2.936 20 0 GFADRO CNC(=O)CC[C@H]1CCCCN1CC(=O)Nc1ccccc1Br ZINC000286418604 563559406 /nfs/dbraw/zinc/55/94/06/563559406.db2.gz KIWLFPOWQLNTLE-CYBMUJFWSA-N 1 0 382.302 2.768 20 0 GFADRO O=C(NCC[NH+]1CCCC1)c1ccc2cc(I)ccc2n1 ZINC000431356747 563559801 /nfs/dbraw/zinc/55/98/01/563559801.db2.gz CWAJKYKHKXLMOG-UHFFFAOYSA-N 1 0 395.244 2.665 20 0 GFADRO Cc1c(C(=O)N(CC[NH+](C)C)C2CC2)nnn1-c1cccc(Br)c1 ZINC000431371954 563559833 /nfs/dbraw/zinc/55/98/33/563559833.db2.gz ZSFIQFRLHYXYBC-UHFFFAOYSA-N 1 0 392.301 2.504 20 0 GFADRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N1CCO[C@@H](c2ccc(Br)cc2)[C@@H]1C ZINC000331867524 563564689 /nfs/dbraw/zinc/56/46/89/563564689.db2.gz OGJRKWVRYHQYFX-OSRSDYAFSA-N 1 0 396.329 2.919 20 0 GFADRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1nc2ccc(Br)cn2n1 ZINC000331934171 563567639 /nfs/dbraw/zinc/56/76/39/563567639.db2.gz LXMSJHLGCNATFM-JHJVBQTASA-N 1 0 394.317 2.588 20 0 GFADRO COc1ccc(Cl)cc1NC(=O)CN1CC[C@H](C(F)(F)F)[C@H](CO)C1 ZINC000286616777 563567831 /nfs/dbraw/zinc/56/78/31/563567831.db2.gz RURVTTSUXVMRIB-JQWIXIFHSA-N 1 0 380.794 2.780 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N2CCC[C@H]([NH+](C)C)C2)c(Br)c1 ZINC000431761148 563568685 /nfs/dbraw/zinc/56/86/85/563568685.db2.gz YTXIFOBOBVMQAI-ZDUSSCGKSA-N 1 0 382.302 2.557 20 0 GFADRO CC[NH+](CC)C[C@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(C(=O)OC)s1 ZINC000431894925 563570640 /nfs/dbraw/zinc/57/06/40/563570640.db2.gz VWRKZBNFBZNGDN-ZIAGYGMSSA-N 1 0 388.555 2.714 20 0 GFADRO Cc1c([C@H]2OCC[C@@H]2[NH2+]CCOc2ccc(Br)cc2)cnn1C ZINC000431933495 563571622 /nfs/dbraw/zinc/57/16/22/563571622.db2.gz CRPJICGPVYVIQW-DLBZAZTESA-N 1 0 380.286 2.990 20 0 GFADRO O=C(NCC[NH+]1CCCCC1)c1ccn(-c2ccc(Br)cc2)n1 ZINC000431999523 563573125 /nfs/dbraw/zinc/57/31/25/563573125.db2.gz DFKOMZOVTRKGKG-UHFFFAOYSA-N 1 0 377.286 2.851 20 0 GFADRO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000332098168 563576515 /nfs/dbraw/zinc/57/65/15/563576515.db2.gz CWSNSVGFLVDLSY-LRDDRELGSA-N 1 0 384.307 2.666 20 0 GFADRO O=S1(=O)CCC[C@@H](C[NH2+][C@@H]2CCc3c2cc(Br)cc3F)C1 ZINC000286868413 563578229 /nfs/dbraw/zinc/57/82/29/563578229.db2.gz BOFPTBPPIDKBPO-ZUZCIYMTSA-N 1 0 376.291 2.990 20 0 GFADRO CC1(C)[C@H]([NH2+][C@@H]2CCN(c3cccc(Br)c3)C2=O)[C@@H]2CCO[C@@H]21 ZINC000432339785 563581445 /nfs/dbraw/zinc/58/14/45/563581445.db2.gz UTOPMYFMCHDTCJ-JJXSEGSLSA-N 1 0 379.298 2.958 20 0 GFADRO C[C@@H]([NH2+]C[C@H]1CCCS(=O)(=O)C1)c1ccc(I)cc1 ZINC000286952753 563581512 /nfs/dbraw/zinc/58/15/12/563581512.db2.gz HMFYBIFBWGIESR-VXGBXAGGSA-N 1 0 393.290 2.767 20 0 GFADRO CC[C@H](NC(=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1)c1ccc(Cl)s1 ZINC000286999980 563583000 /nfs/dbraw/zinc/58/30/00/563583000.db2.gz LLKSLHSDHLCOBH-KGLIPLIRSA-N 1 0 383.945 2.913 20 0 GFADRO CCc1nc(C(=O)N[C@H]2CC[NH2+]C[C@@H]2C)nn1-c1c(Cl)cccc1Cl ZINC000432520836 563586097 /nfs/dbraw/zinc/58/60/97/563586097.db2.gz VLJNDOKYLSUGFP-GWCFXTLKSA-N 1 0 382.295 2.864 20 0 GFADRO COCC[C@H](Cc1cccc(Br)c1)C(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000432515114 563586227 /nfs/dbraw/zinc/58/62/27/563586227.db2.gz OUNLXISKKMXFBY-UNEWFSDZSA-N 1 0 383.330 2.759 20 0 GFADRO C[N@H+](C[C@@H](O)COc1ccccc1C(F)(F)F)C[C@](C)(O)C(F)(F)F ZINC000410381228 563588555 /nfs/dbraw/zinc/58/85/55/563588555.db2.gz IVGTYYIWXIAXJI-MFKMUULPSA-N 1 0 375.309 2.690 20 0 GFADRO C[C@@H]([NH2+]CC1(c2cccc(Br)c2)CCOCC1)c1nncn1C ZINC000287199402 563591523 /nfs/dbraw/zinc/59/15/23/563591523.db2.gz LQFRCBGOTNNSBM-CYBMUJFWSA-N 1 0 379.302 2.977 20 0 GFADRO COCC[N@H+](C)CCCC1CCN(Cc2nn(C)cc2Br)CC1 ZINC000432779781 563592820 /nfs/dbraw/zinc/59/28/20/563592820.db2.gz LPESCZRVILBSMK-UHFFFAOYSA-N 1 0 387.366 2.753 20 0 GFADRO COC(=O)c1cccc(Br)c1CN1CC[NH+](C2CCOCC2)CC1 ZINC000432829331 563594822 /nfs/dbraw/zinc/59/48/22/563594822.db2.gz PKNAZVYCWGWRHC-UHFFFAOYSA-N 1 0 397.313 2.532 20 0 GFADRO Cc1nc(C(=O)N2CC[N@H+](C3CCOCC3)C[C@H]2C)c(Br)s1 ZINC000410778171 563596792 /nfs/dbraw/zinc/59/67/92/563596792.db2.gz WLERRYZOXZZYQF-SNVBAGLBSA-N 1 0 388.331 2.539 20 0 GFADRO C[C@@H]1C[N@@H+](CC2CCN(Cc3nn(C)cc3Br)CC2)C[C@H](C)O1 ZINC000432941143 563597419 /nfs/dbraw/zinc/59/74/19/563597419.db2.gz UHTKNFVWCPZQDB-OKILXGFUSA-N 1 0 385.350 2.504 20 0 GFADRO CS(=O)(=O)c1cc(NC(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)ccc1Cl ZINC000332415626 563597625 /nfs/dbraw/zinc/59/76/25/563597625.db2.gz UETRFFHSWPLDTG-CQSZACIVSA-N 1 0 385.917 2.836 20 0 GFADRO Cc1cc(Br)ccc1CN(C)C(=O)C(=O)N(CC[NH+](C)C)C(C)C ZINC000410888721 563598544 /nfs/dbraw/zinc/59/85/44/563598544.db2.gz WNFMXGGJBRUPDP-UHFFFAOYSA-N 1 0 398.345 2.515 20 0 GFADRO Cn1c2cc(Br)ccc2nc1C[N@@H+]1CC[C@H](C(=O)N2CCCC2)C1 ZINC000287370460 563598707 /nfs/dbraw/zinc/59/87/07/563598707.db2.gz MLBCZOQIFIOOFN-ZDUSSCGKSA-N 1 0 391.313 2.780 20 0 GFADRO [NH3+][C@@H]1CCCN(C(=O)NC2CCN(Cc3ccc(Br)cc3)CC2)C1 ZINC000332534043 563603637 /nfs/dbraw/zinc/60/36/37/563603637.db2.gz SBPRRNYTSNZXEA-MRXNPFEDSA-N 1 0 395.345 2.546 20 0 GFADRO C[C@H](C(=O)NC[C@H](O)C[NH+]1CCC(C)CC1)c1ccc(Br)s1 ZINC000332549746 563603946 /nfs/dbraw/zinc/60/39/46/563603946.db2.gz JCMSOKQJJSVEDB-STQMWFEESA-N 1 0 389.359 2.823 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCO[C@@H](C(F)(F)F)C1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000287529729 563605662 /nfs/dbraw/zinc/60/56/62/563605662.db2.gz DOXQFCYBZQIRTC-NJZAAPMLSA-N 1 0 380.432 2.697 20 0 GFADRO C[C@H]([NH2+][C@H]1CCO[C@@H](C(F)(F)F)C1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000287529727 563605685 /nfs/dbraw/zinc/60/56/85/563605685.db2.gz DOXQFCYBZQIRTC-CORIIIEPSA-N 1 0 380.432 2.697 20 0 GFADRO OCC[N@H+](C[C@@H](O)COc1ccc(Cl)cc1Cl)[C@H]1CCCSC1 ZINC000433196962 563605860 /nfs/dbraw/zinc/60/58/60/563605860.db2.gz OGEDLKGMEPJKEE-UONOGXRCSA-N 1 0 380.337 2.923 20 0 GFADRO CCCCC(=O)N1CSC[C@H]1C(=O)N(CC[NH+](C)C)Cc1ccsc1 ZINC000411109424 563606093 /nfs/dbraw/zinc/60/60/93/563606093.db2.gz GJXZDKOFTYWKJD-INIZCTEOSA-N 1 0 383.583 2.730 20 0 GFADRO COCC[N@H+](CCCOc1ccc(S(C)(=O)=O)cc1)[C@@H]1CCCSC1 ZINC000433197128 563606094 /nfs/dbraw/zinc/60/60/94/563606094.db2.gz PVJRWAHBRZZBOZ-MRXNPFEDSA-N 1 0 387.567 2.703 20 0 GFADRO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1ccc(Br)c(F)c1 ZINC000332613347 563607278 /nfs/dbraw/zinc/60/72/78/563607278.db2.gz RQHKHFJCRZJHHW-QWHCGFSZSA-N 1 0 398.276 2.612 20 0 GFADRO CCN(Cc1ccc(Cl)s1)C(=O)C(=O)NCCC1CC[NH+](CC)CC1 ZINC000287590780 563609185 /nfs/dbraw/zinc/60/91/85/563609185.db2.gz CUAOZBCVZHQICO-UHFFFAOYSA-N 1 0 385.961 2.988 20 0 GFADRO C[C@H](CC[NH+](C)C)NC(=O)C(=O)N[C@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000411193071 563609563 /nfs/dbraw/zinc/60/95/63/563609563.db2.gz NJDBKJRSMDXWQT-ZWNOBZJWSA-N 1 0 379.810 2.516 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)N[C@H]2CCN(c3ccc(Br)cc3)C2)C1 ZINC000332673955 563611124 /nfs/dbraw/zinc/61/11/24/563611124.db2.gz QCZLHLCABWVJQW-DZKIICNBSA-N 1 0 395.345 2.797 20 0 GFADRO CC[N@H+](CCNC(=O)C(=O)Nc1cc(C)c(Br)c(F)c1)C(C)C ZINC000411238133 563611281 /nfs/dbraw/zinc/61/12/81/563611281.db2.gz CEQMNQJTBFJQGR-UHFFFAOYSA-N 1 0 388.281 2.682 20 0 GFADRO O[C@H](C[NH2+][C@@H]1CCO[C@@H](C(F)(F)F)C1)c1cc(Cl)c2c(c1)OCCO2 ZINC000287640974 563611420 /nfs/dbraw/zinc/61/14/20/563611420.db2.gz KVVAAKFPMLDKHS-MPKXVKKWSA-N 1 0 381.778 2.844 20 0 GFADRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)Nc1ccn(-c2ccc(Br)cc2)n1 ZINC000332697618 563612304 /nfs/dbraw/zinc/61/23/04/563612304.db2.gz WGQUVKWZFAYBBC-CHWSQXEVSA-N 1 0 392.301 3.191 20 0 GFADRO O=C(N[C@H]1CCSc2ccc(Cl)cc21)c1ncn([C@H]2CCC[NH2+]C2)n1 ZINC000433407271 563612446 /nfs/dbraw/zinc/61/24/46/563612446.db2.gz AQPKWBOPKUHKIV-JSGCOSHPSA-N 1 0 377.901 2.823 20 0 GFADRO COCCO[C@H]1CCC[N@H+](CCC(=O)Nc2ccc(Br)cc2)C1 ZINC000411407345 563618151 /nfs/dbraw/zinc/61/81/51/563618151.db2.gz IUBDVERZKAXCEJ-INIZCTEOSA-N 1 0 385.302 2.905 20 0 GFADRO COCCO[C@H]1CCC[N@H+](CCC(=O)Nc2cccc(Br)c2)C1 ZINC000411407057 563618188 /nfs/dbraw/zinc/61/81/88/563618188.db2.gz HFUJINRMKMBEOI-INIZCTEOSA-N 1 0 385.302 2.905 20 0 GFADRO Cn1cc(Br)cc(NC(=O)N2CCCC[C@H]2[C@H]2CCC[NH2+]C2)c1=O ZINC000333081911 563620185 /nfs/dbraw/zinc/62/01/85/563620185.db2.gz AVXGALMFSCKGOW-WFASDCNBSA-N 1 0 397.317 2.534 20 0 GFADRO CNc1cc(I)ccc1C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000411472767 563620406 /nfs/dbraw/zinc/62/04/06/563620406.db2.gz NQIOKXLDHLHROR-QWHCGFSZSA-N 1 0 399.276 2.690 20 0 GFADRO C[C@H]1CC2(CN1C(=O)c1cc(Br)c3c(c1)OCCO3)CC[NH2+]CC2 ZINC000333239647 563625582 /nfs/dbraw/zinc/62/55/82/563625582.db2.gz ARLFHCQVYZTGMO-LBPRGKRZSA-N 1 0 395.297 2.825 20 0 GFADRO C[C@H](CO)[N@@H+]1CCCN(Cc2c(F)c(F)c(Br)c(F)c2F)CC1 ZINC000411619750 563626450 /nfs/dbraw/zinc/62/64/50/563626450.db2.gz OOGNKHCEEDPUNQ-SECBINFHSA-N 1 0 399.226 2.894 20 0 GFADRO CC[NH+]1CCC(NC(=O)CN[C@@H](C)c2ccc(Br)cc2OC)CC1 ZINC000411624050 563626607 /nfs/dbraw/zinc/62/66/07/563626607.db2.gz XGNWNDQIBHOAGI-ZDUSSCGKSA-N 1 0 398.345 2.709 20 0 GFADRO [NH3+][C@H]1CCO[C@H](C2CCN(C(=O)c3cc(F)ccc3Br)CC2)C1 ZINC000333272406 563626635 /nfs/dbraw/zinc/62/66/35/563626635.db2.gz KTSHBPJUYVHNNB-BBRMVZONSA-N 1 0 385.277 2.947 20 0 GFADRO [NH3+][C@H]1CCCO[C@H]1C1CCN(C(=O)Nc2ncc(C(F)(F)F)s2)CC1 ZINC000333270145 563626706 /nfs/dbraw/zinc/62/67/06/563626706.db2.gz FYQOHFJIIWNJTP-JQWIXIFHSA-N 1 0 378.420 2.912 20 0 GFADRO O=C(Nc1ccc2nccnc2c1Br)N1CCC2(CC[NH2+]2)CC1 ZINC000333299260 563627423 /nfs/dbraw/zinc/62/74/23/563627423.db2.gz PUQKQURLOAPUJT-UHFFFAOYSA-N 1 0 376.258 2.752 20 0 GFADRO [NH3+][C@@H]1CCO[C@@H](C2CCN(C(=O)Cc3ccc(Br)cc3)CC2)C1 ZINC000333314642 563627883 /nfs/dbraw/zinc/62/78/83/563627883.db2.gz SKRNHNDLAQBQML-IAGOWNOFSA-N 1 0 381.314 2.737 20 0 GFADRO Cc1c(C(=O)N2CCC[C@H]3C[NH2+]C[C@H]32)cnn1-c1cccc(Br)c1 ZINC000333335439 563628625 /nfs/dbraw/zinc/62/86/25/563628625.db2.gz RSQNCFPIOFAEFX-SUMWQHHRSA-N 1 0 389.297 2.767 20 0 GFADRO O=C(CC[N@@H+](CCO)[C@@H]1CCCSC1)Nc1ccccc1Br ZINC000411672137 563629092 /nfs/dbraw/zinc/62/90/92/563629092.db2.gz URTRCEFURJLUGJ-CYBMUJFWSA-N 1 0 387.343 2.968 20 0 GFADRO CC(C)N(C)C(=O)CN[C@H](CO)c1ccc(Br)cc1C(F)(F)F ZINC000411669252 563629122 /nfs/dbraw/zinc/62/91/22/563629122.db2.gz ZCHFCJDVNWVFKI-CYBMUJFWSA-N 1 0 397.235 2.958 20 0 GFADRO Cc1nc2cc(Br)cc(NC(=O)N3CC[C@@H]4C[NH2+]C[C@@H]4C3)c2o1 ZINC000333373228 563629499 /nfs/dbraw/zinc/62/94/99/563629499.db2.gz VHZWTYSWIJWUHY-GHMZBOCLSA-N 1 0 379.258 2.972 20 0 GFADRO C[C@@H]1C[C@]1([NH2+]CCC(=O)NC(=O)NCC(F)(F)F)c1ccc(Cl)cc1 ZINC000411695512 563630150 /nfs/dbraw/zinc/63/01/50/563630150.db2.gz SZAPYLBAQKFCGV-MEBBXXQBSA-N 1 0 377.794 2.943 20 0 GFADRO C[C@H](NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C)C[C@@H]1C)c1cccc(Cl)c1Cl ZINC000288211975 563633981 /nfs/dbraw/zinc/63/39/81/563633981.db2.gz OWMFSQNHSRUUCO-SLEUVZQESA-N 1 0 386.323 2.969 20 0 GFADRO CC(C)(C)c1ccc(S(=O)(=O)N2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)s1 ZINC000333476767 563634123 /nfs/dbraw/zinc/63/41/23/563634123.db2.gz BOEHRYPNLSMPGQ-RHSMWYFYSA-N 1 0 386.583 2.953 20 0 GFADRO CS(=O)(=O)N1CCCc2cc(-c3csc(C4CC[NH2+]CC4)n3)ccc21 ZINC000434658191 563634267 /nfs/dbraw/zinc/63/42/67/563634267.db2.gz AUSAMORONQXCMX-UHFFFAOYSA-N 1 0 377.535 2.989 20 0 GFADRO Fc1cc(Br)ccc1C1CC([NH2+][C@@H]2CCc3nnnn3CC2)C1 ZINC000333520562 563634853 /nfs/dbraw/zinc/63/48/53/563634853.db2.gz KPCSVMCKRZPGTK-YXMLORGKSA-N 1 0 380.265 2.815 20 0 GFADRO CCc1nc(C(=O)N2CC[NH2+][C@@H](C)[C@@H]2C)nn1-c1c(Cl)cccc1Cl ZINC000434702197 563634998 /nfs/dbraw/zinc/63/49/98/563634998.db2.gz BQLAUSJYXZVRAM-QWRGUYRKSA-N 1 0 382.295 2.959 20 0 GFADRO [NH3+]C1(c2noc(-c3sccc3S(=O)(=O)N3CCCC3)n2)CCCCC1 ZINC000333543898 563635411 /nfs/dbraw/zinc/63/54/11/563635411.db2.gz IHNLPHYFKOJOPZ-UHFFFAOYSA-N 1 0 382.511 2.701 20 0 GFADRO CCN(C)C(=O)[C@@H]([NH2+]CCC(=O)Nc1cccc(Br)c1)C(C)C ZINC000411803114 563635961 /nfs/dbraw/zinc/63/59/61/563635961.db2.gz VYNZIRLCJRSJOD-INIZCTEOSA-N 1 0 384.318 2.870 20 0 GFADRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)NCc3cc4cc(Br)ccc4[nH]3)C[C@@H]12 ZINC000333615352 563636514 /nfs/dbraw/zinc/63/65/14/563636514.db2.gz RBGAICUAQUYFAB-COLVAYQJSA-N 1 0 377.286 2.809 20 0 GFADRO Brc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCc3nnnn3CC1)CCS2 ZINC000333667604 563638645 /nfs/dbraw/zinc/63/86/45/563638645.db2.gz CBTKGKKAHMBTGN-DGCLKSJQSA-N 1 0 380.315 2.967 20 0 GFADRO CC(C)(C)c1ccc(S(=O)(=O)N2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)s1 ZINC000333716621 563640003 /nfs/dbraw/zinc/64/00/03/563640003.db2.gz TXUMJEVZKHIQJR-CABCVRRESA-N 1 0 386.583 2.953 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(S(=O)(=O)c3ccc4nc(C(C)(C)C)sc4c3)C[C@@H]21 ZINC000333744948 563640964 /nfs/dbraw/zinc/64/09/64/563640964.db2.gz WOGPWOKOUCRUBS-DOMZBBRYSA-N 1 0 379.551 2.918 20 0 GFADRO C[C@H]1CC[N@H+](C)CCN1C(=O)c1cc(I)c(F)cc1F ZINC000435004032 563641362 /nfs/dbraw/zinc/64/13/62/563641362.db2.gz HRTGHGWRQDGEAY-VIFPVBQESA-N 1 0 394.203 2.736 20 0 GFADRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)N1CCC(Oc2cccc(Br)c2)CC1 ZINC000333769394 563641894 /nfs/dbraw/zinc/64/18/94/563641894.db2.gz BUZWZEMRMMEJGW-GUYCJALGSA-N 1 0 396.329 3.000 20 0 GFADRO OC[C@H]([NH2+]Cc1cccc(Br)c1OC(F)F)[C@@H]1CCCOC1 ZINC000411981358 563643116 /nfs/dbraw/zinc/64/31/16/563643116.db2.gz AFLUFYYCJDUDIF-YPMHNXCESA-N 1 0 380.229 2.928 20 0 GFADRO C[C@@H]1C[C@@H](N(C)C(=O)C(C)(C)S(=O)(=O)c2ccc(Cl)cc2)CC[N@@H+]1C ZINC000288443709 563643283 /nfs/dbraw/zinc/64/32/83/563643283.db2.gz MFLKVRNKQRTYKJ-HIFRSBDPSA-N 1 0 386.945 2.833 20 0 GFADRO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[NH2+]C(C)(C)CN1CCOCC1 ZINC000412003917 563643814 /nfs/dbraw/zinc/64/38/14/563643814.db2.gz QYQBMLCYSCVCFJ-UHFFFAOYSA-N 1 0 388.339 2.652 20 0 GFADRO COC1([C@H](C)[NH2+]C[C@@H](O)COc2cc(F)cc(Br)c2)CCC1 ZINC000412019098 563645049 /nfs/dbraw/zinc/64/50/49/563645049.db2.gz DLNTXSPFZCSYRC-SMDDNHRTSA-N 1 0 376.266 2.875 20 0 GFADRO COc1ccc([C@H](C)NC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1Br ZINC000333926232 563645694 /nfs/dbraw/zinc/64/56/94/563645694.db2.gz VGRCZDOYTBAYAQ-IACUBPJLSA-N 1 0 382.302 2.770 20 0 GFADRO C[C@H](CNS(=O)(=O)c1cc(F)ccc1Br)C[NH+]1CCCCC1 ZINC000435224848 563645865 /nfs/dbraw/zinc/64/58/65/563645865.db2.gz DZFPMVCJYGBTBQ-GFCCVEGCSA-N 1 0 393.322 2.989 20 0 GFADRO Cc1nn(C)c(C[NH2+]CCCn2cc(Br)cn2)c1Br ZINC000288517193 563645937 /nfs/dbraw/zinc/64/59/37/563645937.db2.gz UIXBRTKOGJSEBK-UHFFFAOYSA-N 1 0 391.111 2.630 20 0 GFADRO O=C(N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)N[C@H]1CCOc2ccc(Br)cc21 ZINC000333948880 563646649 /nfs/dbraw/zinc/64/66/49/563646649.db2.gz WTBFAMVVIJNHFK-FIRUKDTASA-N 1 0 394.313 2.960 20 0 GFADRO CS(=O)(=O)c1ccc(-c2nc(CN(C3CC3)[C@H]3CC[NH2+]C3)cs2)cc1 ZINC000435236575 563646946 /nfs/dbraw/zinc/64/69/46/563646946.db2.gz JPTGPDBJNFBYSZ-INIZCTEOSA-N 1 0 377.535 2.540 20 0 GFADRO O=C(CCNc1ncc(C(F)(F)F)cc1Cl)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000435239117 563647060 /nfs/dbraw/zinc/64/70/60/563647060.db2.gz IUHKEJYMAPSSIV-GFCCVEGCSA-N 1 0 376.810 2.909 20 0 GFADRO CCOC(=O)COc1c(Br)cc(C)cc1CN1CC[C@H]([NH3+])[C@H](C)C1 ZINC000435368834 563648608 /nfs/dbraw/zinc/64/86/08/563648608.db2.gz CENVZLCGQYHZHB-CJNGLKHVSA-N 1 0 399.329 2.869 20 0 GFADRO C[N@H+](CCC(=O)Nc1ccccc1Br)C(C)(C)CN1CCOCC1 ZINC000412099163 563648831 /nfs/dbraw/zinc/64/88/31/563648831.db2.gz ZUCGLWQTLFAZRX-UHFFFAOYSA-N 1 0 398.345 2.820 20 0 GFADRO C[C@H]1COCC[C@H]1C(=O)Nc1cc(Br)ccc1N1CC[NH+](C)CC1 ZINC000435609617 563655169 /nfs/dbraw/zinc/65/51/69/563655169.db2.gz AHKUUFBYPWFHER-DZGCQCFKSA-N 1 0 396.329 2.812 20 0 GFADRO O=C(N1CCO[C@@H](c2ccc(Br)cc2)C1)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000435896060 563660313 /nfs/dbraw/zinc/66/03/13/563660313.db2.gz DRKZDUOSQYOBEP-QGPMSJSTSA-N 1 0 379.298 2.739 20 0 GFADRO C[C@@H]1OCC[C@@H]1[N@H+](CCO)Cc1ccc(I)c(Cl)c1 ZINC000436100438 563664220 /nfs/dbraw/zinc/66/42/20/563664220.db2.gz GAIZTFNNCQHWIP-HZMBPMFUSA-N 1 0 395.668 2.916 20 0 GFADRO COCCC[NH+]1CCC(NCc2nc3ccccn3c2Br)CC1 ZINC000289180929 563670690 /nfs/dbraw/zinc/67/06/90/563670690.db2.gz GABXDPOJYJMWJV-UHFFFAOYSA-N 1 0 381.318 2.687 20 0 GFADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)Nc3cnc4c(Br)cccn34)[C@H]2C1 ZINC000436500050 563672906 /nfs/dbraw/zinc/67/29/06/563672906.db2.gz UESMYSYADSAVPU-YPMHNXCESA-N 1 0 378.274 2.655 20 0 GFADRO Cc1nc(Cc2nnc(SCCCN3CC[NH+](C(C)C)CC3)o2)cs1 ZINC000412984770 563678782 /nfs/dbraw/zinc/67/87/82/563678782.db2.gz QDAHCURRBNXKMQ-UHFFFAOYSA-N 1 0 381.571 2.934 20 0 GFADRO CN(C)C(=O)[C@H]1CCC[C@H]([NH2+]Cc2cn3ccc(Br)cc3n2)C1 ZINC000289565698 563678840 /nfs/dbraw/zinc/67/88/40/563678840.db2.gz RKWYLYGOVKSBHG-JSGCOSHPSA-N 1 0 379.302 2.833 20 0 GFADRO C[NH+](C)CCn1nnnc1SCc1ccc(Cl)c(Br)c1 ZINC000412990045 563678957 /nfs/dbraw/zinc/67/89/57/563678957.db2.gz HDXBLJLYDGNOLZ-UHFFFAOYSA-N 1 0 376.711 2.943 20 0 GFADRO C[NH+](C)C1CCN(C(=O)Cc2noc(-c3cc(Br)cs3)n2)CC1 ZINC000350936567 563679076 /nfs/dbraw/zinc/67/90/76/563679076.db2.gz ZMTIQNZAMDOXFF-UHFFFAOYSA-N 1 0 399.314 2.656 20 0 GFADRO CC[NH+](CC)CCCNC(=O)NCc1cc(Cl)cc(S(=O)(=O)CC)c1 ZINC000413029722 563679996 /nfs/dbraw/zinc/67/99/96/563679996.db2.gz BNGCCKBRTSWDPY-UHFFFAOYSA-N 1 0 389.949 2.665 20 0 GFADRO C[C@H](NC(=O)C(=O)N(C)Cc1c(Cl)cccc1Cl)C1=CC[N@H+](C)CC1 ZINC000289684780 563682582 /nfs/dbraw/zinc/68/25/82/563682582.db2.gz OAATYHHIALHKHL-LBPRGKRZSA-N 1 0 384.307 2.718 20 0 GFADRO O=C(CCOc1ccc(Cl)cc1Br)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000289668624 563682926 /nfs/dbraw/zinc/68/29/26/563682926.db2.gz JACHCIPRSSOTIT-VXGBXAGGSA-N 1 0 387.705 2.939 20 0 GFADRO Cc1[nH+]cc2n1CC[C@H](c1nc([C@H](C)n3cc(Br)cn3)no1)C2 ZINC000351394467 563688445 /nfs/dbraw/zinc/68/84/45/563688445.db2.gz UDAQXAFNWGQPTK-ONGXEEELSA-N 1 0 377.246 2.873 20 0 GFADRO COC1CC[NH+](C2(CNC(=O)CSCc3cscn3)CCCC2)CC1 ZINC000437223464 563691227 /nfs/dbraw/zinc/69/12/27/563691227.db2.gz UFVBTATTYPOFKW-UHFFFAOYSA-N 1 0 383.583 2.916 20 0 GFADRO O=C(c1csc(-c2cccc(Cl)c2)n1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000289931256 563691750 /nfs/dbraw/zinc/69/17/50/563691750.db2.gz OJVDCEVFLQHFCY-OAHLLOKOSA-N 1 0 376.913 2.583 20 0 GFADRO CN1CC[NH+](C[C@H]2CCCN(C(=O)c3ccc(Br)c(F)c3)C2)CC1 ZINC000360246665 563691907 /nfs/dbraw/zinc/69/19/07/563691907.db2.gz PURXEEOTYVENGV-CQSZACIVSA-N 1 0 398.320 2.688 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)[C@@H]1CC[NH2+][C@@H]1C(C)C ZINC000289949702 563692066 /nfs/dbraw/zinc/69/20/66/563692066.db2.gz MCQKGOIOTXFBOM-RHSMWYFYSA-N 1 0 396.329 2.836 20 0 GFADRO COc1cc(Br)c(C[NH2+][C@H]2CCCN(c3cccnn3)C2)cc1O ZINC000360671460 563693701 /nfs/dbraw/zinc/69/37/01/563693701.db2.gz KOUVWDIKRUBCHA-ZDUSSCGKSA-N 1 0 393.285 2.712 20 0 GFADRO Cc1cc(NC(=O)N2CCC[N@@H+](C3CCOCC3)CC2)cnc1Br ZINC000360712482 563694580 /nfs/dbraw/zinc/69/45/80/563694580.db2.gz MGDIAYKXCOAPLN-UHFFFAOYSA-N 1 0 397.317 2.871 20 0 GFADRO COC(=O)[C@H]1CN(C(=O)N[C@H]2CCCc3sc(Cl)cc32)CC[N@H+](C)C1 ZINC000413557584 563697395 /nfs/dbraw/zinc/69/73/95/563697395.db2.gz SBNBXXXRASXXHR-YPMHNXCESA-N 1 0 385.917 2.525 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2C(=O)Cc1ccc(Br)c(F)c1 ZINC000361783767 563701304 /nfs/dbraw/zinc/70/13/04/563701304.db2.gz NVCOURXZQPZTMF-XOKHGSTOSA-N 1 0 399.304 2.841 20 0 GFADRO C[C@H](C(=O)N(C)[C@H](C(N)=O)c1cccc(Br)c1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000413666890 563701805 /nfs/dbraw/zinc/70/18/05/563701805.db2.gz HQZUBHIWSNEJOE-IATRGZMQSA-N 1 0 396.329 2.695 20 0 GFADRO O=C(Cc1cccc(I)c1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000290270715 563703258 /nfs/dbraw/zinc/70/32/58/563703258.db2.gz YMPKUULNVKFWKT-HNNXBMFYSA-N 1 0 398.288 2.682 20 0 GFADRO C[C@@H](C(=O)NCCC[N@H+](C)CCN(C)C)c1ccc(Br)s1 ZINC000290267044 563703388 /nfs/dbraw/zinc/70/33/88/563703388.db2.gz ZNEBHOJCVSGJRC-GFCCVEGCSA-N 1 0 376.364 2.614 20 0 GFADRO Cc1cc(C(C)(C)C(=O)N[C@@H](C)CN2CC[NH+](C)CC2)ccc1Br ZINC000290311448 563704667 /nfs/dbraw/zinc/70/46/67/563704667.db2.gz UQFNYTDEHSTABM-HNNXBMFYSA-N 1 0 396.373 2.787 20 0 GFADRO CC[C@@H](C(=O)N[C@@](C)(CC(=O)OC)c1ccc(Br)cc1)[NH+](C)C ZINC000413746283 563704864 /nfs/dbraw/zinc/70/48/64/563704864.db2.gz KAZTXQQBJOOEQI-YOEHRIQHSA-N 1 0 385.302 2.684 20 0 GFADRO C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@@H]2C[C@H]2c2ccc(Cl)cc2Cl)C[C@H]1C ZINC000438370935 563704932 /nfs/dbraw/zinc/70/49/32/563704932.db2.gz KRSAOBYXBHGWSO-PZNPJNSTSA-N 1 0 386.323 2.946 20 0 GFADRO O=C(N[C@H](CO)C[NH+]1CCCCC1)c1c[nH]c2cccc(Br)c12 ZINC000413814242 563706655 /nfs/dbraw/zinc/70/66/55/563706655.db2.gz INEWBBDFXDUHED-LBPRGKRZSA-N 1 0 380.286 2.507 20 0 GFADRO C[NH+](C)[C@@]1(CNC(=O)c2cc(Cl)ncc2Br)CCSC1 ZINC000290362786 563706864 /nfs/dbraw/zinc/70/68/64/563706864.db2.gz LTEOGEMFVJBFOY-CYBMUJFWSA-N 1 0 378.723 2.665 20 0 GFADRO COC(=O)[C@@H]1CN(C(=O)c2c[nH]cc2-c2ccc(Cl)s2)CC[N@H+](C)C1 ZINC000413898158 563709664 /nfs/dbraw/zinc/70/96/64/563709664.db2.gz BKIOIPODXFUSBK-NSHDSACASA-N 1 0 381.885 2.573 20 0 GFADRO CCCC[N@H+](C)C[C@@H](C)NC(=O)C[C@@](O)(c1nc(C)cs1)C(F)(F)F ZINC000290481050 563711185 /nfs/dbraw/zinc/71/11/85/563711185.db2.gz DTIHAIJHLIBSDZ-IAQYHMDHSA-N 1 0 381.464 2.828 20 0 GFADRO CC(C)[N@@H+]1CCCN(C[C@H](O)COc2cc(F)cc(Br)c2)CC1 ZINC000438845651 563712745 /nfs/dbraw/zinc/71/27/45/563712745.db2.gz CQNJOQZBIOOXEE-INIZCTEOSA-N 1 0 389.309 2.744 20 0 GFADRO CCNC(=O)c1ccc(C[NH2+][C@@H](C)Cn2cc(Br)ccc2=O)cc1 ZINC000414068195 563717354 /nfs/dbraw/zinc/71/73/54/563717354.db2.gz JMWQXOSLHZHDNY-ZDUSSCGKSA-N 1 0 392.297 2.539 20 0 GFADRO [NH3+]C[C@H]1CC[C@@H](NC(=O)Nc2ccc(F)cc2I)C1 ZINC000415257706 563764311 /nfs/dbraw/zinc/76/43/11/563764311.db2.gz ZVUWZWDLCKNJFN-WCBMZHEXSA-N 1 0 377.201 2.679 20 0 GFADRO CCc1nnc(CNC(=O)NCC2CC[NH+](Cc3cccs3)CC2)s1 ZINC000290696063 563718469 /nfs/dbraw/zinc/71/84/69/563718469.db2.gz KCQNCAZUEGTMBT-UHFFFAOYSA-N 1 0 379.555 2.873 20 0 GFADRO CNC(=O)c1cccc(NC(=O)N[C@H](C)C[N@H+](C)C(C)C)c1Br ZINC000290695578 563718591 /nfs/dbraw/zinc/71/85/91/563718591.db2.gz MYLBXLQYYLDUJM-LLVKDONJSA-N 1 0 385.306 2.659 20 0 GFADRO COCC[C@@H](Cc1ccco1)[NH2+][C@@H](C)Cn1cc(Br)ccc1=O ZINC000414109798 563719627 /nfs/dbraw/zinc/71/96/27/563719627.db2.gz NLRDMNYNBFWXLV-ZFWWWQNUSA-N 1 0 383.286 2.830 20 0 GFADRO COCC[C@@H](Cc1ccco1)[NH2+][C@H](C)Cn1cc(Br)ccc1=O ZINC000414109795 563719764 /nfs/dbraw/zinc/71/97/64/563719764.db2.gz NLRDMNYNBFWXLV-HIFRSBDPSA-N 1 0 383.286 2.830 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N(C)CC[NH+]2CCCC2)cc1Br ZINC000439209926 563720086 /nfs/dbraw/zinc/72/00/86/563720086.db2.gz ASZXMVCLVPSZDJ-UHFFFAOYSA-N 1 0 382.302 2.559 20 0 GFADRO C[C@H](C(=O)Nc1nc2ccccc2s1)N1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000363363673 563720267 /nfs/dbraw/zinc/72/02/67/563720267.db2.gz CCXPQWHTQOVAND-ZIAGYGMSSA-N 1 0 376.551 2.746 20 0 GFADRO C[C@H](C(=O)Nc1cccc(Br)c1)N1CC[NH+]([C@H]2CCSC2)CC1 ZINC000363364191 563720394 /nfs/dbraw/zinc/72/03/94/563720394.db2.gz MBOWQECBBDXJOE-CJNGLKHVSA-N 1 0 398.370 2.899 20 0 GFADRO CC(C)c1nnc(CC[NH2+][C@H](C)Cn2cc(Br)ccc2=O)s1 ZINC000414142683 563720924 /nfs/dbraw/zinc/72/09/24/563720924.db2.gz MXVVKBFAVFCTCY-LLVKDONJSA-N 1 0 385.331 2.807 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)Nc2cccc(F)c2I)C1 ZINC000415361362 563770520 /nfs/dbraw/zinc/77/05/20/563770520.db2.gz MXZLVTHIOREWKI-BDAKNGLRSA-N 1 0 377.201 2.631 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)N1CC[N@@H+](C)CC[C@@H]1C ZINC000439360731 563723113 /nfs/dbraw/zinc/72/31/13/563723113.db2.gz RBZDHNIFMYXQNT-ZDUSSCGKSA-N 1 0 382.302 2.557 20 0 GFADRO COc1ccc(OC)c([C@H](C)[NH2+]Cc2ccc(S(N)(=O)=O)c(Cl)c2)c1 ZINC000414263710 563723980 /nfs/dbraw/zinc/72/39/80/563723980.db2.gz PRTHSOZDAAGQLS-NSHDSACASA-N 1 0 384.885 2.855 20 0 GFADRO Cc1ccc([C@@H]2CSCCN2C[C@H](O)c2ccc(S(C)(=O)=O)cc2)o1 ZINC000363505765 563724339 /nfs/dbraw/zinc/72/43/39/563724339.db2.gz AFCHKLKILMHYFT-IRXDYDNUSA-N 1 0 381.519 2.815 20 0 GFADRO C[C@@H]1CC[C@@](CO)([N@H+](C)C[C@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000439444578 563725618 /nfs/dbraw/zinc/72/56/18/563725618.db2.gz OPNWKLSTGVEDRH-ISTRZQFTSA-N 1 0 390.293 2.811 20 0 GFADRO C[NH+](C)[C@H]1CCc2ccccc2[C@@H]1NC(=O)CSc1n[n-]c(=S)s1 ZINC000363587209 563727739 /nfs/dbraw/zinc/72/77/39/563727739.db2.gz QDIBTUCZMOFKCO-JSGCOSHPSA-N 1 0 380.564 2.653 20 0 GFADRO CC(C)NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(F)c(I)c1 ZINC000414350756 563728202 /nfs/dbraw/zinc/72/82/02/563728202.db2.gz UVBDFBUHFAHKJM-ZJUUUORDSA-N 1 0 378.229 2.994 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC3)C2)cc1Br ZINC000439599301 563728793 /nfs/dbraw/zinc/72/87/93/563728793.db2.gz UJOURCISDIYBQM-AWEZNQCLSA-N 1 0 394.313 2.700 20 0 GFADRO CC(C)c1n[nH]c(C(=O)N2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@@H]3C2)c1Br ZINC000363658822 563729206 /nfs/dbraw/zinc/72/92/06/563729206.db2.gz CCQBZCIBAPDKST-XQQFMLRXSA-N 1 0 381.318 2.852 20 0 GFADRO C[C@H]1C[C@@H]([NH2+]CCCCn2cc(C(N)=O)nn2)c2cccc(Br)c21 ZINC000414354660 563729470 /nfs/dbraw/zinc/72/94/70/563729470.db2.gz VSIHFYJBIYOTTA-SMDDNHRTSA-N 1 0 392.301 2.758 20 0 GFADRO Cc1nn(C)c(S(=O)(=O)NCCC[N@H+](C)C2CCCCC2)c1C(F)F ZINC000414366978 563729941 /nfs/dbraw/zinc/72/99/41/563729941.db2.gz CYTUEGDVLOVUTH-UHFFFAOYSA-N 1 0 378.489 2.599 20 0 GFADRO CO[C@@H]1CCC[N@H+](CC(=O)Nc2cccc(I)c2)CC1 ZINC000363679583 563730310 /nfs/dbraw/zinc/73/03/10/563730310.db2.gz WGWNQKIZLJCWMR-CQSZACIVSA-N 1 0 388.249 2.731 20 0 GFADRO CO[C@@H](c1ccc(F)cc1)[C@H](C)[NH2+]Cc1ccc(S(N)(=O)=O)c(Cl)c1 ZINC000414367044 563730319 /nfs/dbraw/zinc/73/03/19/563730319.db2.gz PGNISJDIRKITMT-APPDUMDISA-N 1 0 386.876 2.992 20 0 GFADRO CC[NH+]1CCN(CCC(=O)N2CC[C@@H]2c2cccc(Br)c2)CC1 ZINC000363767421 563732109 /nfs/dbraw/zinc/73/21/09/563732109.db2.gz PKHUNHXQLFGZQS-QGZVFWFLSA-N 1 0 380.330 2.750 20 0 GFADRO CSCC[C@@H](CO)[NH2+]Cc1c(Br)cncc1Br ZINC000414386097 563732204 /nfs/dbraw/zinc/73/22/04/563732204.db2.gz XYOKVHAZOMOTJX-QMMMGPOBSA-N 1 0 384.137 2.810 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+]CCc2nc3c(s2)CCCC3)cc1Cl ZINC000414390064 563733095 /nfs/dbraw/zinc/73/30/95/563733095.db2.gz HVLRRHAGVJSJDG-UHFFFAOYSA-N 1 0 385.942 2.655 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)c1nc2ccc(Br)cn2n1)c1ccsc1 ZINC000414412313 563735010 /nfs/dbraw/zinc/73/50/10/563735010.db2.gz QMWVDWSRNCRSHV-LBPRGKRZSA-N 1 0 394.298 2.586 20 0 GFADRO CCC(CC)[C@@H](CNS(=O)(=O)c1ccc(OCC(F)F)cc1)[NH+](C)C ZINC000440072538 563735532 /nfs/dbraw/zinc/73/55/32/563735532.db2.gz CLZPBDDEIQAMQB-MRXNPFEDSA-N 1 0 378.485 2.975 20 0 GFADRO C[C@@H]1CCC[N@H+](CCCCNC(=O)c2nc3ccc(Br)cn3n2)C1 ZINC000414417502 563735618 /nfs/dbraw/zinc/73/56/18/563735618.db2.gz YALKGDHFQUDANZ-CYBMUJFWSA-N 1 0 394.317 2.734 20 0 GFADRO C[C@H](NS(=O)(=O)c1cc(Br)sc1Cl)[C@H]1CCC[NH2+]C1 ZINC000440355796 563739995 /nfs/dbraw/zinc/73/99/95/563739995.db2.gz GPLNDVLODODJMI-YUMQZZPRSA-N 1 0 387.752 2.830 20 0 GFADRO CCc1ncc(C[NH2+]C[C@@H](CO)Cc2cc(Br)ccc2OC)cn1 ZINC000414464447 563741418 /nfs/dbraw/zinc/74/14/18/563741418.db2.gz UPLJUROCIYKJKN-ZDUSSCGKSA-N 1 0 394.313 2.751 20 0 GFADRO O=C(C[C@H]1Sc2ccc(Cl)cc2NC1=O)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000364060384 563741525 /nfs/dbraw/zinc/74/15/25/563741525.db2.gz CYICKUYTFWUJSF-XJKSGUPXSA-N 1 0 379.913 2.840 20 0 GFADRO Cc1cc(S(=O)(=O)N2CC[C@@H](OCC[NH+]3CCCCC3)C2)sc1Cl ZINC000414465641 563741776 /nfs/dbraw/zinc/74/17/76/563741776.db2.gz SHRXOEMRAKDEQV-CQSZACIVSA-N 1 0 392.974 2.975 20 0 GFADRO C[NH2+]C[C@@H](C)CNS(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000440429401 563742237 /nfs/dbraw/zinc/74/22/37/563742237.db2.gz RQVWRAFHZJFLOW-MRVPVSSYSA-N 1 0 378.338 2.858 20 0 GFADRO Cc1cc(Br)cc(C)c1S(=O)(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000440450731 563742254 /nfs/dbraw/zinc/74/22/54/563742254.db2.gz YXWAXNKCIFFWPJ-QWHCGFSZSA-N 1 0 375.332 2.814 20 0 GFADRO Cc1cccc(Cl)c1S(=O)(=O)N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000414468486 563742701 /nfs/dbraw/zinc/74/27/01/563742701.db2.gz YSTJGDGTSQOBFF-MRXNPFEDSA-N 1 0 386.945 2.914 20 0 GFADRO CC(C)c1nn(-c2ccc(Br)cc2)cc1C[NH2+]C[C@@H]1CNC(=O)C1 ZINC000414478432 563743436 /nfs/dbraw/zinc/74/34/36/563743436.db2.gz FDDVCNXKPHPANT-CYBMUJFWSA-N 1 0 391.313 2.984 20 0 GFADRO O=C(Nc1nnc(-c2cccc(Br)c2)s1)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000364214814 563746216 /nfs/dbraw/zinc/74/62/16/563746216.db2.gz MFAJEYSEYFSXEJ-IAQYHMDHSA-N 1 0 379.283 2.906 20 0 GFADRO OC[C@H]1C[N@H+](Cc2cnc(-c3ccc(Br)cc3)s2)CC[C@H]1O ZINC000414562793 563747183 /nfs/dbraw/zinc/74/71/83/563747183.db2.gz VLMLACFWXABEIA-IUODEOHRSA-N 1 0 383.311 2.748 20 0 GFADRO C[C@@H](NS(=O)(=O)c1cc(Cl)c(Br)cc1F)[C@H]1CCC[NH2+]C1 ZINC000440733689 563749097 /nfs/dbraw/zinc/74/90/97/563749097.db2.gz KJCNGNLQIJXWIE-BDAKNGLRSA-N 1 0 399.713 2.908 20 0 GFADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)[C@@H](C)c1cccc(Br)c1 ZINC000291598172 563749396 /nfs/dbraw/zinc/74/93/96/563749396.db2.gz BSQSELHQEJLXOZ-GJZGRUSLSA-N 1 0 382.346 2.695 20 0 GFADRO C[C@H]([NH3+])c1ccc(NC(=O)C(=O)NCCc2ccc(Br)s2)cc1 ZINC000414676902 563750420 /nfs/dbraw/zinc/75/04/20/563750420.db2.gz ICLZXNDHSJCEPZ-JTQLQIEISA-N 1 0 396.310 2.828 20 0 GFADRO O=C(C1CCC([NH2+]Cc2cc(C(F)(F)F)n[nH]2)CC1)N1CCSCC1 ZINC000440812458 563751162 /nfs/dbraw/zinc/75/11/62/563751162.db2.gz VNCLXBXLORMIBD-UHFFFAOYSA-N 1 0 376.448 2.652 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CCN(S(=O)(=O)c2cc(Cl)c(Br)cc2F)C1 ZINC000440829630 563751189 /nfs/dbraw/zinc/75/11/89/563751189.db2.gz FGDPRGDFRCFHIN-SFYZADRCSA-N 1 0 385.686 2.599 20 0 GFADRO CCOc1ccc(S(=O)(=O)NC[C@]2(C)CCC[NH2+]C2)cc1Br ZINC000440838819 563751847 /nfs/dbraw/zinc/75/18/47/563751847.db2.gz WEBMCZIMNPUPBV-OAHLLOKOSA-N 1 0 391.331 2.516 20 0 GFADRO C[C@@H]1C[C@@H](C[NH3+])CN1S(=O)(=O)c1ccc2cc(Br)ccc2c1 ZINC000440841794 563751902 /nfs/dbraw/zinc/75/19/02/563751902.db2.gz DDIFOQDXYDJJHT-NEPJUHHUSA-N 1 0 383.311 2.960 20 0 GFADRO C[C@@H]1C[C@@H](C[NH3+])CN1S(=O)(=O)c1cc(Cl)c(Br)cc1F ZINC000440849765 563752627 /nfs/dbraw/zinc/75/26/27/563752627.db2.gz YFYXUOYZZFZYGO-SFYZADRCSA-N 1 0 385.686 2.599 20 0 GFADRO CCOC(=O)COc1c(Br)cc(C)cc1CNC[C@H]([NH3+])C1CC1 ZINC000414891953 563753343 /nfs/dbraw/zinc/75/33/43/563753343.db2.gz PAYBAAJQAAVSPD-HNNXBMFYSA-N 1 0 385.302 2.526 20 0 GFADRO C[C@@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ncc(Br)cc1F ZINC000364462317 563753963 /nfs/dbraw/zinc/75/39/63/563753963.db2.gz CFZJIPKPDZLAFG-OCCSQVGLSA-N 1 0 385.325 2.802 20 0 GFADRO O=C(CC[C@@H]1CCC[NH2+]1)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000291716583 563754873 /nfs/dbraw/zinc/75/48/73/563754873.db2.gz GXHNOCPXXPDPTR-AWEZNQCLSA-N 1 0 384.307 2.810 20 0 GFADRO Fc1cccc(Br)c1CNC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000414972620 563755129 /nfs/dbraw/zinc/75/51/29/563755129.db2.gz MLWFWAYOOKMLAT-CYBMUJFWSA-N 1 0 384.215 2.514 20 0 GFADRO COc1cc(CN[C@@H]2CC[NH2+][C@@H](C)C2)cc(I)c1OC ZINC000414948966 563755281 /nfs/dbraw/zinc/75/52/81/563755281.db2.gz MYMRJWVMHZGHBV-CMPLNLGQSA-N 1 0 390.265 2.539 20 0 GFADRO C[C@]1(CNC(=O)C(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)CCCS1 ZINC000414952464 563755646 /nfs/dbraw/zinc/75/56/46/563755646.db2.gz IHLWXGORKCIZFE-OAHLLOKOSA-N 1 0 375.416 2.505 20 0 GFADRO COc1cc(Br)cc(C)c1NC(=O)N1CC[C@H](OC)C[C@@H]1C[NH3+] ZINC000414997757 563757289 /nfs/dbraw/zinc/75/72/89/563757289.db2.gz ZPKDJXJLZZLUST-OLZOCXBDSA-N 1 0 386.290 2.736 20 0 GFADRO O=C(CC[C@@H]1CCC[NH2+]1)N1CCN(C(=O)c2cccc(Cl)c2Cl)CC1 ZINC000291795229 563758707 /nfs/dbraw/zinc/75/87/07/563758707.db2.gz PFUMVXFOIFLNCS-ZDUSSCGKSA-N 1 0 384.307 2.810 20 0 GFADRO CO[C@H]1CC[N@H+](CC(=O)N(C)CCOc2ccc(Br)cc2)[C@@H](C)C1 ZINC000441366308 563759100 /nfs/dbraw/zinc/75/91/00/563759100.db2.gz NBLNWUDYKXXMME-YOEHRIQHSA-N 1 0 399.329 2.786 20 0 GFADRO CO[C@@H]1CC[N@H+](CC(=O)N(C)CCOc2ccc(Br)cc2)[C@H](C)C1 ZINC000441366306 563759129 /nfs/dbraw/zinc/75/91/29/563759129.db2.gz NBLNWUDYKXXMME-RHSMWYFYSA-N 1 0 399.329 2.786 20 0 GFADRO O=C1N[C@@H]2CN(Cc3csc(Cl)c3Cl)CC[C@H]2N1C1CC[NH2+]CC1 ZINC000415141499 563760105 /nfs/dbraw/zinc/76/01/05/563760105.db2.gz PNFISXRQSLCUNJ-CHWSQXEVSA-N 1 0 389.352 2.775 20 0 GFADRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)Nc1cc(F)c(I)c(F)c1 ZINC000415129473 563760476 /nfs/dbraw/zinc/76/04/76/563760476.db2.gz ZAEUVVNLPZXYQI-HQJQHLMTSA-N 1 0 395.191 2.689 20 0 GFADRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)Nc1cc(F)c(I)c(F)c1 ZINC000415129472 563760483 /nfs/dbraw/zinc/76/04/83/563760483.db2.gz ZAEUVVNLPZXYQI-CPCISQLKSA-N 1 0 395.191 2.689 20 0 GFADRO C[C@](C[NH3+])(NC(=O)Nc1cc(F)c(I)c(F)c1)C1CC1 ZINC000415126691 563760503 /nfs/dbraw/zinc/76/05/03/563760503.db2.gz UUIAWAGYYSADFQ-CYBMUJFWSA-N 1 0 395.191 2.818 20 0 GFADRO CCOc1ccc(Br)cc1NC(=O)N1CC[C@@H](OC)C[C@H]1C[NH3+] ZINC000415126629 563760538 /nfs/dbraw/zinc/76/05/38/563760538.db2.gz PVYPRJWWHURVEJ-QWHCGFSZSA-N 1 0 386.290 2.818 20 0 GFADRO [NH3+]CC[C@@H](NC(=O)Nc1cc(Br)ccc1-n1cccn1)C(F)F ZINC000415159620 563761343 /nfs/dbraw/zinc/76/13/43/563761343.db2.gz KAEXPOMOWDDDRB-SNVBAGLBSA-N 1 0 388.216 2.739 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)Nc2ccc(Cl)cc2OCC(F)(F)F)CCCO1 ZINC000415166985 563761909 /nfs/dbraw/zinc/76/19/09/563761909.db2.gz FVWUYGXZUFZHNB-LLVKDONJSA-N 1 0 381.782 2.863 20 0 GFADRO Cc1cc(Br)ccc1CNC(=O)[C@]1([NH3+])[C@@H]2CCCO[C@@H]2C1(C)C ZINC000364729799 563762658 /nfs/dbraw/zinc/76/26/58/563762658.db2.gz IFJMNJKOHPAZGO-RVKKMQEKSA-N 1 0 381.314 2.906 20 0 GFADRO COC(=O)c1ccc(S(=O)(=O)NCCC[N@@H+]2CCCC[C@H]2C)cc1Cl ZINC000441628580 563763138 /nfs/dbraw/zinc/76/31/38/563763138.db2.gz RVGBJROXIODFGR-CYBMUJFWSA-N 1 0 388.917 2.669 20 0 GFADRO O=C(Nc1cnn(-c2ncc(Cl)cc2Cl)c1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000415310598 563766972 /nfs/dbraw/zinc/76/69/72/563766972.db2.gz PRISAJNWHISVHH-NEPJUHHUSA-N 1 0 381.267 2.932 20 0 GFADRO CCOC(=O)c1c(NC(=O)N2C[C@H](C[NH3+])C[C@@H]2C)sc2c1CCSC2 ZINC000415335288 563767367 /nfs/dbraw/zinc/76/73/67/563767367.db2.gz LDIAAZJYKOOJBN-QWRGUYRKSA-N 1 0 383.539 2.915 20 0 GFADRO CCOC(=O)c1c(NC(=O)N[C@@H]2CC[NH2+][C@@H](C)C2)sc2c1CCSC2 ZINC000415335311 563767511 /nfs/dbraw/zinc/76/75/11/563767511.db2.gz LHAQADXGMCCFNU-WDEREUQCSA-N 1 0 383.539 2.976 20 0 GFADRO C[C@@H](CO)[N@@H+]1CCCN(C(=O)c2csc(-c3cccc(Cl)c3)n2)CC1 ZINC000364921524 563768492 /nfs/dbraw/zinc/76/84/92/563768492.db2.gz JJOHOAVWRGWQQN-ZDUSSCGKSA-N 1 0 379.913 2.992 20 0 GFADRO C[C@@H]1CN(C(=O)Nc2cccc(F)c2I)[C@H](C)C[NH2+]1 ZINC000415352832 563769387 /nfs/dbraw/zinc/76/93/87/563769387.db2.gz CAGYXNJELXTJEO-RKDXNWHRSA-N 1 0 377.201 2.644 20 0 GFADRO CCOC(=O)c1cc(Br)ccc1NC(=O)NC1(C)CC[NH2+]CC1 ZINC000415352067 563769456 /nfs/dbraw/zinc/76/94/56/563769456.db2.gz OWVNNPLKGAKESO-UHFFFAOYSA-N 1 0 384.274 2.889 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)c(NC(=O)N2CC[C@@H]([NH3+])C2)c1C ZINC000415359154 563769948 /nfs/dbraw/zinc/76/99/48/563769948.db2.gz JRZPKROAUSJVTB-CYBMUJFWSA-N 1 0 378.274 2.817 20 0 GFADRO CCOC(=O)c1cc(Br)ccc1NC(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000415354989 563770169 /nfs/dbraw/zinc/77/01/69/563770169.db2.gz SSBRBHWLRSIFFB-GXFFZTMASA-N 1 0 384.274 2.827 20 0 GFADRO CC(C)C[C@H](C[NH3+])NC(=O)Nc1cccc(F)c1I ZINC000415363655 563770592 /nfs/dbraw/zinc/77/05/92/563770592.db2.gz QZNCPUXWIDAQGL-SECBINFHSA-N 1 0 379.217 2.925 20 0 GFADRO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)CN1CCC(F)(F)[C@@H](CO)C1 ZINC000292047830 563771135 /nfs/dbraw/zinc/77/11/35/563771135.db2.gz ZZUZCYHBWUAYOT-GFCCVEGCSA-N 1 0 381.250 2.901 20 0 GFADRO Cc1cc(F)c(NC(=O)NCC2([NH3+])CCC2)c(I)c1 ZINC000415392685 563771996 /nfs/dbraw/zinc/77/19/96/563771996.db2.gz NUTXYENERPBRQW-UHFFFAOYSA-N 1 0 377.201 2.742 20 0 GFADRO C[NH2+]C[C@H](C)CNC(=O)Nc1c(F)cc(C)cc1I ZINC000415394816 563772695 /nfs/dbraw/zinc/77/26/95/563772695.db2.gz QZKPNBRKYOVUAW-VIFPVBQESA-N 1 0 379.217 2.716 20 0 GFADRO CO[C@@H]1CCN(C(=O)Nc2cc(F)c(Br)c(F)c2)[C@H](C[NH3+])C1 ZINC000415400136 563772788 /nfs/dbraw/zinc/77/27/88/563772788.db2.gz FIXHAQXCZNZDBG-VHSXEESVSA-N 1 0 378.217 2.697 20 0 GFADRO COCC1(CNC(=O)Nc2cc(Br)cc(OC)c2)CC[NH2+]CC1 ZINC000415403026 563773202 /nfs/dbraw/zinc/77/32/02/563773202.db2.gz WDBCRVJBPOJYEC-UHFFFAOYSA-N 1 0 386.290 2.595 20 0 GFADRO Cc1cc(Br)cc(NC(=O)C(=O)N[C@H](C[NH3+])C2CCCCC2)c1 ZINC000415425017 563774299 /nfs/dbraw/zinc/77/42/99/563774299.db2.gz KBXBJQWVQGFVQJ-OAHLLOKOSA-N 1 0 382.302 2.720 20 0 GFADRO Cc1cccc(NC(=O)C(=O)N[C@H](C[NH3+])C2CCCCC2)c1Br ZINC000415429140 563774911 /nfs/dbraw/zinc/77/49/11/563774911.db2.gz RBIBOSHEEYCPPG-CQSZACIVSA-N 1 0 382.302 2.720 20 0 GFADRO COCCOc1ccc(Br)cc1NC(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000415429646 563775117 /nfs/dbraw/zinc/77/51/17/563775117.db2.gz RUOBMLHJDJTMEH-VXGBXAGGSA-N 1 0 386.290 2.675 20 0 GFADRO C[C@H](C(=O)N1CC[NH+](C2CCOCC2)CC1)c1cccc(Br)c1 ZINC000292136224 563775256 /nfs/dbraw/zinc/77/52/56/563775256.db2.gz OGJMBCROSVFEMM-AWEZNQCLSA-N 1 0 381.314 2.876 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)C(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000415451919 563776225 /nfs/dbraw/zinc/77/62/25/563776225.db2.gz SVCJTFDTRHVUBB-WCQYABFASA-N 1 0 382.302 2.536 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)C(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000415451917 563776335 /nfs/dbraw/zinc/77/63/35/563776335.db2.gz SVCJTFDTRHVUBB-AAEUAGOBSA-N 1 0 382.302 2.536 20 0 GFADRO CS(=O)(=O)c1ccc(NC(=O)NCC[C@H]2CCC[NH2+]C2)cc1C(F)F ZINC000415450006 563776526 /nfs/dbraw/zinc/77/65/26/563776526.db2.gz ZCRPLXBGHMEASW-LLVKDONJSA-N 1 0 375.441 2.539 20 0 GFADRO O=S(=O)(c1cccc(Cl)c1Br)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000365191984 563776994 /nfs/dbraw/zinc/77/69/94/563776994.db2.gz UWUQOLRVHQSAPG-LLVKDONJSA-N 1 0 393.734 2.961 20 0 GFADRO CCCN(CC[NH+](CC)CC)S(=O)(=O)c1c(C)csc1C(=O)OC ZINC000442742704 563777239 /nfs/dbraw/zinc/77/72/39/563777239.db2.gz AEAAKDJREIRAQW-UHFFFAOYSA-N 1 0 376.544 2.586 20 0 GFADRO [NH3+]C1(CNC(=O)Nc2cc(Br)cnc2-n2cccn2)CCCCC1 ZINC000415479612 563778294 /nfs/dbraw/zinc/77/82/94/563778294.db2.gz IEUHNMONSPGTPT-UHFFFAOYSA-N 1 0 393.289 2.813 20 0 GFADRO C[C@@H]([NH3+])C1CCN(C(=O)Nc2cc(Br)cnc2-n2cccn2)CC1 ZINC000415476335 563778298 /nfs/dbraw/zinc/77/82/98/563778298.db2.gz BPRZBYFGRFSKBQ-LLVKDONJSA-N 1 0 393.289 2.621 20 0 GFADRO CC[NH2+]CC1CCN(C(=O)C(=O)Nc2c(C)cc(C)cc2Br)CC1 ZINC000415477796 563778437 /nfs/dbraw/zinc/77/84/37/563778437.db2.gz OAPFLXDGJNIDLS-UHFFFAOYSA-N 1 0 396.329 2.853 20 0 GFADRO CCCC[C@H](C[NH3+])NC(=O)C(=O)Nc1ccc(Br)c(Cl)c1 ZINC000415492530 563779096 /nfs/dbraw/zinc/77/90/96/563779096.db2.gz FKRZQITXEQUYDS-SNVBAGLBSA-N 1 0 376.682 2.675 20 0 GFADRO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)Nc1ccc(-c2ccc(Cl)s2)nc1 ZINC000415500569 563779528 /nfs/dbraw/zinc/77/95/28/563779528.db2.gz SSCBTNYRHBIUPG-LBPRGKRZSA-N 1 0 378.885 2.612 20 0 GFADRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)Nc1nnc(-c2cccc(Br)c2)s1 ZINC000415501320 563779804 /nfs/dbraw/zinc/77/98/04/563779804.db2.gz OEQDVKLNZPTANJ-BXKDBHETSA-N 1 0 396.314 3.087 20 0 GFADRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)Nc1nnc(-c2cccc(Br)c2)s1 ZINC000415503745 563780246 /nfs/dbraw/zinc/78/02/46/563780246.db2.gz SBHCWXIALHTOGA-BXKDBHETSA-N 1 0 396.314 3.087 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)N(C)CC[C@H]([NH3+])C(C)C ZINC000415504775 563780428 /nfs/dbraw/zinc/78/04/28/563780428.db2.gz PMEWPNOPXAVFPH-AWEZNQCLSA-N 1 0 384.318 2.836 20 0 GFADRO Cc1cc(Br)cc(Cl)c1NC(=O)C(=O)N1C[C@@H](C[NH3+])C[C@@H]1C ZINC000415514119 563780780 /nfs/dbraw/zinc/78/07/80/563780780.db2.gz BLKAUJTZSRKTFL-VHSXEESVSA-N 1 0 388.693 2.545 20 0 GFADRO [NH3+]C[C@@H]1CC[C@H](NC(=O)Nc2ccnn2Cc2cccc(Br)c2)C1 ZINC000415518415 563780886 /nfs/dbraw/zinc/78/08/86/563780886.db2.gz AGXKGOAWJMFOEX-DOMZBBRYSA-N 1 0 392.301 2.943 20 0 GFADRO O=C(Nc1ccnn1Cc1ccccc1Br)NC1CC[NH2+]CC1 ZINC000415519678 563781614 /nfs/dbraw/zinc/78/16/14/563781614.db2.gz GIEIWOFSJXUOFY-UHFFFAOYSA-N 1 0 378.274 2.567 20 0 GFADRO CC1(C)[C@H]([NH2+]CCNS(=O)(=O)c2ccc(Cl)cc2F)[C@@H]2CCCO[C@@H]21 ZINC000442863427 563781869 /nfs/dbraw/zinc/78/18/69/563781869.db2.gz QVKDVVHZOPJSFJ-MAZHCROVSA-N 1 0 390.908 2.551 20 0 GFADRO [NH3+]C[C@@H]1CC[C@H](NC(=O)Nc2ccnn2Cc2ccc(Br)cc2)C1 ZINC000415524300 563781983 /nfs/dbraw/zinc/78/19/83/563781983.db2.gz HHTGQOGGKSATAP-HIFRSBDPSA-N 1 0 392.301 2.943 20 0 GFADRO [NH3+][C@H](CNC(=O)Nc1ccnn1Cc1ccc(Br)cc1)C1CC1 ZINC000415524316 563782007 /nfs/dbraw/zinc/78/20/07/563782007.db2.gz HKSKLYOKKFGYQP-CQSZACIVSA-N 1 0 378.274 2.553 20 0 GFADRO CC1(C)[NH2+]CC[C@@H]1NC(=O)Nc1ccnn1Cc1ccccc1Br ZINC000415524642 563782039 /nfs/dbraw/zinc/78/20/39/563782039.db2.gz UOLKCKSLDXEYEY-AWEZNQCLSA-N 1 0 392.301 2.956 20 0 GFADRO Cc1cc(C)c(S(=O)(=O)NCc2ccncc2OCCC[NH+](C)C)s1 ZINC000292302466 563782238 /nfs/dbraw/zinc/78/22/38/563782238.db2.gz AISSPUPSQKMHTO-UHFFFAOYSA-N 1 0 383.539 2.569 20 0 GFADRO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1nc2ccccc2cc1Br ZINC000292299181 563782384 /nfs/dbraw/zinc/78/23/84/563782384.db2.gz VOVGFEGZRFGRSA-AWEZNQCLSA-N 1 0 392.297 2.574 20 0 GFADRO C[NH2+]CCN(C)C(=O)Nc1nc2ccc(I)cc2s1 ZINC000415529123 563782554 /nfs/dbraw/zinc/78/25/54/563782554.db2.gz OJLVLYKALSWOPK-UHFFFAOYSA-N 1 0 390.250 2.584 20 0 GFADRO C[C@H]1CN(C(=O)Nc2ccnn2Cc2ccc(Br)cc2)CC[C@H]1[NH3+] ZINC000415527506 563782562 /nfs/dbraw/zinc/78/25/62/563782562.db2.gz KVEIPCHUXUZXDQ-SWLSCSKDSA-N 1 0 392.301 2.895 20 0 GFADRO CN(C(=O)Nc1ccnn1Cc1ccc(Br)cc1)[C@H](C[NH3+])C1CC1 ZINC000415529296 563782656 /nfs/dbraw/zinc/78/26/56/563782656.db2.gz MZOSZJDDDFIIDM-OAHLLOKOSA-N 1 0 392.301 2.895 20 0 GFADRO O=C(Nc1ccc(F)c(Br)c1)C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000415529672 563783395 /nfs/dbraw/zinc/78/33/95/563783395.db2.gz XGNNKLPPIBBBRU-OAHLLOKOSA-N 1 0 398.276 2.517 20 0 GFADRO [NH3+][C@@H](CNC(=O)C(=O)Nc1ccc(Br)c(Cl)c1Cl)C1CC1 ZINC000415543455 563783845 /nfs/dbraw/zinc/78/38/45/563783845.db2.gz XKNFLEDVPHIUKW-QMMMGPOBSA-N 1 0 395.084 2.548 20 0 GFADRO COC(=O)c1scc(C)c1S(=O)(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000442915825 563784025 /nfs/dbraw/zinc/78/40/25/563784025.db2.gz YXWKSEGMMWNVIO-UHFFFAOYSA-N 1 0 388.555 2.776 20 0 GFADRO Cc1csc(Sc2ccc(NC(=O)C(=O)NCC3C[NH2+]C3)cc2Cl)n1 ZINC000415537822 563784045 /nfs/dbraw/zinc/78/40/45/563784045.db2.gz QECWWUGYDXUBCG-UHFFFAOYSA-N 1 0 396.925 2.530 20 0 GFADRO CCOc1c(Cl)cc(NC(=O)C(=O)NC[C@@]2(C)CCC[NH2+]C2)cc1Cl ZINC000415566441 563784234 /nfs/dbraw/zinc/78/42/34/563784234.db2.gz FTPDFVZNJUPIJM-KRWDZBQOSA-N 1 0 388.295 2.837 20 0 GFADRO Cc1csc(Sc2ccc(NC(=O)C(=O)NCC3([NH3+])CCC3)cc2)n1 ZINC000415558034 563784541 /nfs/dbraw/zinc/78/45/41/563784541.db2.gz IPENEFCSJJXAIG-UHFFFAOYSA-N 1 0 376.507 2.539 20 0 GFADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccc(Br)c(Cl)c1F ZINC000365524555 563786170 /nfs/dbraw/zinc/78/61/70/563786170.db2.gz UHYGOWKCXCSBRL-NXEZZACHSA-N 1 0 391.668 2.835 20 0 GFADRO COc1ccc(NC(=O)N[C@@H]2CCC[C@H]([NH3+])C2)c(I)c1 ZINC000415595402 563786355 /nfs/dbraw/zinc/78/63/55/563786355.db2.gz KJBWCZQWNXFTPS-VHSXEESVSA-N 1 0 389.237 2.691 20 0 GFADRO COc1ccc(NC(=O)N[C@@H](C)CCC[NH3+])c(I)c1 ZINC000415599903 563786815 /nfs/dbraw/zinc/78/68/15/563786815.db2.gz SETCWIYIXSHOMN-VIFPVBQESA-N 1 0 377.226 2.549 20 0 GFADRO CSCC[C@@H](NC(=O)c1ccccc1Cl)C(=O)NC[C@H](C)C[NH+](C)C ZINC000292464662 563787534 /nfs/dbraw/zinc/78/75/34/563787534.db2.gz UOOKWTDBIQSDCR-XJKSGUPXSA-N 1 0 385.961 2.505 20 0 GFADRO COC(=O)c1cccc(NC(=O)N2CC[C@H](C)C[C@@H]2C[NH3+])c1Br ZINC000415617598 563788238 /nfs/dbraw/zinc/78/82/38/563788238.db2.gz VIZOAKPEQWAPLN-WDEREUQCSA-N 1 0 384.274 2.827 20 0 GFADRO COC[C@]1(CNC(=O)Nc2cc(F)cc(Br)c2F)CCC[NH2+]1 ZINC000415620667 563788656 /nfs/dbraw/zinc/78/86/56/563788656.db2.gz QCYKRGITGLXNHO-CQSZACIVSA-N 1 0 378.217 2.617 20 0 GFADRO O=C(Nc1cc(Br)cc(C(=O)N2CCCC2)c1)NC1CC[NH2+]CC1 ZINC000415631852 563788680 /nfs/dbraw/zinc/78/86/80/563788680.db2.gz FPOYNPDTMGSYAN-UHFFFAOYSA-N 1 0 395.301 2.559 20 0 GFADRO COC(=O)c1cccc(NC(=O)NCC2(C)CC[NH2+]CC2)c1Br ZINC000415619672 563788705 /nfs/dbraw/zinc/78/87/05/563788705.db2.gz ZBFDXRSNVCLPAO-UHFFFAOYSA-N 1 0 384.274 2.747 20 0 GFADRO C[N@@H+]1CC[C@@]2(CCN(C(=O)c3cc(Br)cnc3OCC3CC3)C2)C1 ZINC000292495132 563789270 /nfs/dbraw/zinc/78/92/70/563789270.db2.gz GBIKJIRFIHKTBI-GOSISDBHSA-N 1 0 394.313 2.801 20 0 GFADRO COC(=O)c1cc(F)c(Br)cc1NC(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000415632220 563789466 /nfs/dbraw/zinc/78/94/66/563789466.db2.gz SLJURQGGJIRIAT-QPUJVOFHSA-N 1 0 388.237 2.576 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)Nc2cc(C(F)(F)F)ccc2Br)CCO1 ZINC000415645584 563790003 /nfs/dbraw/zinc/79/00/03/563790003.db2.gz BYTRYWKWKVLVKC-SECBINFHSA-N 1 0 382.180 2.659 20 0 GFADRO CC(C)[C@@H]1C[C@H]([NH2+]CCNS(=O)(=O)c2ccc(Cl)cc2F)CS1 ZINC000443064547 563790167 /nfs/dbraw/zinc/79/01/67/563790167.db2.gz PMMYPTCGXDMTHW-JSGCOSHPSA-N 1 0 380.938 2.877 20 0 GFADRO [NH3+][C@@H]1CCC[C@H](NC(=O)C(=O)Nc2cccnc2-c2ccc(Cl)s2)C1 ZINC000415652405 563790578 /nfs/dbraw/zinc/79/05/78/563790578.db2.gz RGCNDOMSARZNRB-MNOVXSKESA-N 1 0 378.885 2.788 20 0 GFADRO Cc1ccc(NC(=O)C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)cc1Br ZINC000415676214 563790601 /nfs/dbraw/zinc/79/06/01/563790601.db2.gz MKHOPKSYPXSJIL-AWEZNQCLSA-N 1 0 382.302 2.590 20 0 GFADRO COc1c(Cl)cc(NC(=O)C(=O)NC[C@H]2[NH2+]CCCC2(C)C)cc1Cl ZINC000415669028 563790626 /nfs/dbraw/zinc/79/06/26/563790626.db2.gz AXBRYWFUARTGEA-CYBMUJFWSA-N 1 0 388.295 2.835 20 0 GFADRO CC1(C)CCC[NH2+][C@H]1CNC(=O)C(=O)Nc1cc(Cl)c(F)c(Cl)c1 ZINC000415670428 563790767 /nfs/dbraw/zinc/79/07/67/563790767.db2.gz DNENOUTUSFMLHV-LBPRGKRZSA-N 1 0 376.259 2.965 20 0 GFADRO CC[C@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1cc(Cl)ccc1C(=O)OC ZINC000443083010 563791066 /nfs/dbraw/zinc/79/10/66/563791066.db2.gz CDWGVXWAOZXGNC-AWEZNQCLSA-N 1 0 388.917 2.669 20 0 GFADRO COC(=O)c1ccc(Cl)cc1S(=O)(=O)NCC1([NH+](C)C)CCCCC1 ZINC000443092827 563791169 /nfs/dbraw/zinc/79/11/69/563791169.db2.gz KYDZSEIMZMEKIQ-UHFFFAOYSA-N 1 0 388.917 2.669 20 0 GFADRO Cc1cc(C[NH+]2CCC(C(=O)Nc3ccc(Br)cn3)CC2)ncn1 ZINC000292607681 563791519 /nfs/dbraw/zinc/79/15/19/563791519.db2.gz WQINJFHXUCELKY-UHFFFAOYSA-N 1 0 390.285 2.793 20 0 GFADRO COC(=O)c1cc(NC(=O)NC[C@@H]2CCC[NH2+]C2)c(C)cc1Br ZINC000415710767 563792484 /nfs/dbraw/zinc/79/24/84/563792484.db2.gz RKQVLFWMXBZOFV-LLVKDONJSA-N 1 0 384.274 2.665 20 0 GFADRO CNC(=O)c1cccc(NC(=O)N[C@](C)(C[NH3+])CC(C)C)c1Br ZINC000415712412 563792553 /nfs/dbraw/zinc/79/25/53/563792553.db2.gz UVLRJXNGIGBSML-INIZCTEOSA-N 1 0 385.306 2.694 20 0 GFADRO CC[C@H](NC(=O)c1[nH]nc2ccc(I)cc21)c1ncc[nH]1 ZINC000443115693 563792487 /nfs/dbraw/zinc/79/24/87/563792487.db2.gz IUAOXDINVIEYQQ-JTQLQIEISA-N 1 0 395.204 2.772 20 0 GFADRO CCCC[N@H+](C)C[C@@H](C)NC(=O)c1ccc(CS(=O)(=O)C(F)F)cc1 ZINC000292663301 563793075 /nfs/dbraw/zinc/79/30/75/563793075.db2.gz LQLJIPHVUWXSFX-CYBMUJFWSA-N 1 0 376.469 2.674 20 0 GFADRO Cc1cc(Cl)ccc1Cc1cnc(NC(=O)N2CCO[C@@H](C[NH3+])C2)s1 ZINC000415733435 563793674 /nfs/dbraw/zinc/79/36/74/563793674.db2.gz WXMTUJFCIBLGFI-AWEZNQCLSA-N 1 0 380.901 2.887 20 0 GFADRO CO[C@H]1CCN(C(=O)Nc2cccc3cc(Br)cnc32)[C@@H](C[NH3+])C1 ZINC000415735699 563793883 /nfs/dbraw/zinc/79/38/83/563793883.db2.gz ZLBDBGHEMHODLG-KGLIPLIRSA-N 1 0 393.285 2.967 20 0 GFADRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)C(=O)Nc1cccc(Cl)c1SCC(F)F ZINC000415739788 563793971 /nfs/dbraw/zinc/79/39/71/563793971.db2.gz IQFQGXZCCRUBIB-WPRPVWTQSA-N 1 0 377.844 2.584 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)C(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000415755325 563794472 /nfs/dbraw/zinc/79/44/72/563794472.db2.gz CLSXNEDKOVTXHS-CQSZACIVSA-N 1 0 394.313 2.544 20 0 GFADRO CC(C)(C)[C@H](C[NH3+])NC(=O)Nc1ccn(-c2ccc(Br)cc2)n1 ZINC000415751729 563794491 /nfs/dbraw/zinc/79/44/91/563794491.db2.gz BCOLPCXJFQNCOK-ZDUSSCGKSA-N 1 0 380.290 3.130 20 0 GFADRO CC(C)(CCC[NH3+])NC(=O)C(=O)Nc1cc2c(cc1Br)CCC2 ZINC000415765254 563794913 /nfs/dbraw/zinc/79/49/13/563794913.db2.gz SURWXNOWIHWNRG-UHFFFAOYSA-N 1 0 382.302 2.510 20 0 GFADRO Cc1ccc(Br)c(NC(=O)C(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)c1 ZINC000415770077 563795623 /nfs/dbraw/zinc/79/56/23/563795623.db2.gz XZJKWHWJNLENDK-CQSZACIVSA-N 1 0 394.313 2.544 20 0 GFADRO Cc1ccc(NC(=O)C(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)cc1Br ZINC000415766426 563795763 /nfs/dbraw/zinc/79/57/63/563795763.db2.gz SJOWRKANMBUGAW-CQSZACIVSA-N 1 0 394.313 2.544 20 0 GFADRO O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000415766802 563795790 /nfs/dbraw/zinc/79/57/90/563795790.db2.gz MHPCSIZMGAVQQL-TVQRCGJNSA-N 1 0 375.778 2.508 20 0 GFADRO C[C@@H]1CN(c2ncc(Cl)cc2Br)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000365951960 563795917 /nfs/dbraw/zinc/79/59/17/563795917.db2.gz AMCMZARBNUBDQJ-DOMZBBRYSA-N 1 0 387.753 2.960 20 0 GFADRO C[C@@H]1CN(c2ncc(Cl)cc2Br)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000365951961 563795926 /nfs/dbraw/zinc/79/59/26/563795926.db2.gz AMCMZARBNUBDQJ-IUODEOHRSA-N 1 0 387.753 2.960 20 0 GFADRO COC(=O)c1ccc(OCCN2CC[NH+]([C@H]3CCSC3)CC2)c(Cl)c1 ZINC000366072338 563798495 /nfs/dbraw/zinc/79/84/95/563798495.db2.gz JHQMUBFTXKJJGD-HNNXBMFYSA-N 1 0 384.929 2.629 20 0 GFADRO OC[C@H]([NH2+]C[C@@H](O)COCC(F)(F)F)c1ccc(Cl)cc1C(F)(F)F ZINC000293036655 563798805 /nfs/dbraw/zinc/79/88/05/563798805.db2.gz WSVMVDMOOAIQQP-SKDRFNHKSA-N 1 0 395.727 2.922 20 0 GFADRO Cc1nc2cc(Cl)c(NC(=O)C(=O)N3C[C@@H](C)[C@](C)(C[NH3+])C3)cc2s1 ZINC000415842164 563799017 /nfs/dbraw/zinc/79/90/17/563799017.db2.gz POVJVUWIGLADBZ-VVVCHXIZSA-N 1 0 380.901 2.640 20 0 GFADRO C[C@@H]1CCN(C(=O)C(=O)Nc2cc(Cl)ccc2C(F)(F)F)C[C@H]1C[NH3+] ZINC000415840739 563799034 /nfs/dbraw/zinc/79/90/34/563799034.db2.gz GISAFHLXYUTEFL-NXEZZACHSA-N 1 0 377.794 2.741 20 0 GFADRO Cc1cc(Br)cc(NC(=O)C(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000415851690 563799689 /nfs/dbraw/zinc/79/96/89/563799689.db2.gz IJLZWYKRBDCMAX-KBPBESRZSA-N 1 0 394.313 2.544 20 0 GFADRO C[C@H]1CCN(C(=O)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)C[C@H]1C[NH3+] ZINC000415851929 563799715 /nfs/dbraw/zinc/79/97/15/563799715.db2.gz PWHISETWNVXQGJ-VHSXEESVSA-N 1 0 377.794 2.741 20 0 GFADRO Cc1nn(C)c(CN2CCC[C@@H](C(=O)N3CCCCC3)C2)c1Br ZINC000366172154 563800493 /nfs/dbraw/zinc/80/04/93/563800493.db2.gz PYOWMWPUOPYHNL-CQSZACIVSA-N 1 0 383.334 2.716 20 0 GFADRO [NH3+]CCOc1ccc(NC(=O)NCCCCn2cc(Br)cn2)cc1 ZINC000415955617 563801085 /nfs/dbraw/zinc/80/10/85/563801085.db2.gz JUGQZETYYQHMSI-UHFFFAOYSA-N 1 0 396.289 2.585 20 0 GFADRO [NH3+]Cc1ccc(NC(=O)N(CCO)Cc2ccc(Br)s2)cc1 ZINC000415952632 563801239 /nfs/dbraw/zinc/80/12/39/563801239.db2.gz GANVZGDKPABLCP-UHFFFAOYSA-N 1 0 384.299 2.996 20 0 GFADRO C[C@@](CO)(NC(=O)N[C@@H](CC[NH3+])C(F)(F)F)c1cc(Cl)cc(Cl)c1 ZINC000415990604 563801947 /nfs/dbraw/zinc/80/19/47/563801947.db2.gz DCGFBUMCDFPTMG-AAEUAGOBSA-N 1 0 388.217 2.780 20 0 GFADRO C[C@@H]([NH2+]CC(=O)NCC(=O)OC(C)(C)C)c1ccc(Br)s1 ZINC000443346401 563802150 /nfs/dbraw/zinc/80/21/50/563802150.db2.gz VKCYPHQCNPKGPZ-SECBINFHSA-N 1 0 377.304 2.619 20 0 GFADRO CSC[C@H]1CCCN(C(=O)C(=O)Nc2ccc(Cl)c(CN(C)C)c2)C1 ZINC000293178686 563803377 /nfs/dbraw/zinc/80/33/77/563803377.db2.gz ALGCAMJAWVXUOI-ZDUSSCGKSA-N 1 0 383.945 2.942 20 0 GFADRO O=C(NCCCCn1cc(Br)cn1)N1CCC([NH+]2CCCC2)CC1 ZINC000366262564 563803555 /nfs/dbraw/zinc/80/35/55/563803555.db2.gz PPXKQAAKMRUZPE-UHFFFAOYSA-N 1 0 398.349 2.696 20 0 GFADRO O=C1NC(=O)[C@@H]2C[N@H+](CCSc3ccnc4cc(Cl)ccc43)CC[C@H]12 ZINC000366303665 563804942 /nfs/dbraw/zinc/80/49/42/563804942.db2.gz AEDWSEHVKSMENG-GXTWGEPZSA-N 1 0 375.881 2.575 20 0 GFADRO CN(C(=O)c1cncc(I)c1)C(C)(C)C[NH+]1CCCC1 ZINC000416103789 563805039 /nfs/dbraw/zinc/80/50/39/563805039.db2.gz IQKBTHKUQKXBEI-UHFFFAOYSA-N 1 0 387.265 2.633 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2C(=O)Cc1cc(F)ccc1Br ZINC000366441161 563808304 /nfs/dbraw/zinc/80/83/04/563808304.db2.gz XVHQZKDZFORNHX-HYVNUMGLSA-N 1 0 399.304 2.841 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2C(=O)Cc1ccc(Br)cc1 ZINC000366429414 563808378 /nfs/dbraw/zinc/80/83/78/563808378.db2.gz NDCOTSNNPCQACI-IXDOHACOSA-N 1 0 381.314 2.702 20 0 GFADRO O=S(=O)(c1sccc1Br)N1CCC[C@@H]2C[NH2+]CCC[C@@H]21 ZINC000366487213 563810611 /nfs/dbraw/zinc/81/06/11/563810611.db2.gz SNVKCHUQCNXDRK-PWSUYJOCSA-N 1 0 379.345 2.663 20 0 GFADRO Cn1cc(Br)c(C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2ccccc2)n1 ZINC000293387097 563810710 /nfs/dbraw/zinc/81/07/10/563810710.db2.gz QCIMHOVENGJFAJ-HNNXBMFYSA-N 1 0 391.313 2.967 20 0 GFADRO Cc1cc(C)n(CCCNC(=O)[C@@](C)([NH3+])c2ccc(Br)cc2)n1 ZINC000293413125 563811503 /nfs/dbraw/zinc/81/15/03/563811503.db2.gz NINRLMIEXOHLDD-KRWDZBQOSA-N 1 0 379.302 2.643 20 0 GFADRO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)CCCOc1cccc(Br)c1 ZINC000416290388 563814080 /nfs/dbraw/zinc/81/40/80/563814080.db2.gz GQINHJQMGQKRQQ-LSDHHAIUSA-N 1 0 399.329 2.522 20 0 GFADRO C[NH+](C)C1(CNC(=O)c2ccc(I)cc2Cl)CC1 ZINC000416305837 563814949 /nfs/dbraw/zinc/81/49/49/563814949.db2.gz YEHWDQSWYLGRJY-UHFFFAOYSA-N 1 0 378.641 2.769 20 0 GFADRO Cc1ccc(NC(=O)C(=O)NC2CC([NH+]3CCCCC3)C2)cc1Br ZINC000366617681 563815897 /nfs/dbraw/zinc/81/58/97/563815897.db2.gz LLLIDOIFXMWEMD-UHFFFAOYSA-N 1 0 394.313 2.829 20 0 GFADRO C[C@H]1CCC[N@@H+]1C1CCN([C@@H](C(N)=O)c2ccc(Br)cc2)CC1 ZINC000366620168 563816232 /nfs/dbraw/zinc/81/62/32/563816232.db2.gz NAINERYSPINNIZ-SUMWQHHRSA-N 1 0 380.330 2.924 20 0 GFADRO COc1cc(OC)c(S(=O)(=O)NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)cc1Cl ZINC000416375262 563819352 /nfs/dbraw/zinc/81/93/52/563819352.db2.gz RLLQKOSVAQBIOH-STQMWFEESA-N 1 0 390.933 2.756 20 0 GFADRO CC(=O)NCC1CC[NH+](C[C@](C)(O)c2ccc(Br)cc2F)CC1 ZINC000293665369 563821257 /nfs/dbraw/zinc/82/12/57/563821257.db2.gz YZWKIBYOBSWFRA-KRWDZBQOSA-N 1 0 387.293 2.644 20 0 GFADRO COC(=O)c1c(Cl)cccc1S(=O)(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000416384136 563821408 /nfs/dbraw/zinc/82/14/08/563821408.db2.gz HBLJDFCRDFQKDP-BETUJISGSA-N 1 0 388.917 2.668 20 0 GFADRO C[C@H](NC(=O)N1CC[NH+](CC(C)(C)O)CC1)c1ccc(Br)s1 ZINC000444109147 563821886 /nfs/dbraw/zinc/82/18/86/563821886.db2.gz ZFXUDSAGXACTIG-NSHDSACASA-N 1 0 390.347 2.670 20 0 GFADRO CCC[C@H](C)C(=O)NCC[NH2+][C@H](C)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000293704818 563821986 /nfs/dbraw/zinc/82/19/86/563821986.db2.gz MIPBHCYIOIRPCB-QWHCGFSZSA-N 1 0 376.469 2.886 20 0 GFADRO CCO[C@H]1C[C@]([NH3+])(C(=O)NCc2cc(OC)ccc2Br)C1(C)C ZINC000444143020 563822700 /nfs/dbraw/zinc/82/27/00/563822700.db2.gz QEHJUTVWXPZTTE-YOEHRIQHSA-N 1 0 385.302 2.606 20 0 GFADRO COc1cc(OC)c(S(=O)(=O)N2CCC[C@H]2C[NH+]2CCCC2)cc1Cl ZINC000416394947 563822719 /nfs/dbraw/zinc/82/27/19/563822719.db2.gz VTWUGZYTOBHVMZ-ZDUSSCGKSA-N 1 0 388.917 2.606 20 0 GFADRO COC(=O)c1ccc(C[NH2+][C@H]2CCO[C@@]3(CCOC3)C2)c(Br)c1 ZINC000366931770 563825186 /nfs/dbraw/zinc/82/51/86/563825186.db2.gz IOXPZFDBHXPMDI-YOEHRIQHSA-N 1 0 384.270 2.663 20 0 GFADRO O=C(NCc1cccnc1-n1ccnc1)C1(c2cncc(Br)c2)CC1 ZINC000366950555 563826137 /nfs/dbraw/zinc/82/61/37/563826137.db2.gz GIBWTAHUUUDGHO-UHFFFAOYSA-N 1 0 398.264 2.773 20 0 GFADRO COC(=O)c1c(Cl)cccc1S(=O)(=O)NCCC[NH+](C(C)C)C(C)C ZINC000416419843 563826272 /nfs/dbraw/zinc/82/62/72/563826272.db2.gz UOHWETDVAVUJBX-UHFFFAOYSA-N 1 0 390.933 2.914 20 0 GFADRO O=C(NCC[C@H]1CCC[NH2+]1)[C@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1 ZINC000444263821 563826410 /nfs/dbraw/zinc/82/64/10/563826410.db2.gz OAMURSCKNQZVAS-CZUORRHYSA-N 1 0 384.307 2.856 20 0 GFADRO COc1cc(OC)c(S(=O)(=O)N2CCC(CC[NH+](C)C)CC2)cc1Cl ZINC000416455016 563831056 /nfs/dbraw/zinc/83/10/56/563831056.db2.gz JPXQKIHLKFKTPR-UHFFFAOYSA-N 1 0 390.933 2.710 20 0 GFADRO Cc1cc(C)c(Br)c(C(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)c1 ZINC000444547732 563833170 /nfs/dbraw/zinc/83/31/70/563833170.db2.gz JMDDUZGEKVBAGM-CQSZACIVSA-N 1 0 383.330 2.983 20 0 GFADRO O=C1CCc2cc(Cl)c(S(=O)(=O)N3CCC[C@H]3CN3CCCC3)cc21 ZINC000367166699 563834099 /nfs/dbraw/zinc/83/40/99/563834099.db2.gz VKRLSWONKPWDSV-AWEZNQCLSA-N 1 0 382.913 2.718 20 0 GFADRO COc1cccc(C[NH2+]C[C@H]2CCN(S(=O)(=O)c3cccs3)C2)c1F ZINC000367207470 563836454 /nfs/dbraw/zinc/83/64/54/563836454.db2.gz XXTYDXBJYGVRNU-CYBMUJFWSA-N 1 0 384.498 2.696 20 0 GFADRO COc1cc(OC)c(S(=O)(=O)N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)cc1Cl ZINC000416488802 563837047 /nfs/dbraw/zinc/83/70/47/563837047.db2.gz PPRXFYDFLILHDH-OLZOCXBDSA-N 1 0 388.917 2.605 20 0 GFADRO CCCN(CC[NH+]1CCCC1)S(=O)(=O)c1cc(Cl)c(OC)cc1OC ZINC000416490211 563837837 /nfs/dbraw/zinc/83/78/37/563837837.db2.gz USIHYWBQBHHXCW-UHFFFAOYSA-N 1 0 390.933 2.854 20 0 GFADRO FC(F)(F)c1nc(NC2CC[NH+]([C@@H]3CCOC3)CC2)ccc1Br ZINC000367265434 563838711 /nfs/dbraw/zinc/83/87/11/563838711.db2.gz WRPYAJCJWWUJKB-LLVKDONJSA-N 1 0 394.235 3.528 20 0 GFADRO CN(Cc1c(F)cccc1Cl)S(=O)(=O)NCCCC[N@H+](C)C1CC1 ZINC000416501463 563840138 /nfs/dbraw/zinc/84/01/38/563840138.db2.gz LKXQYPQJBGEXCW-UHFFFAOYSA-N 1 0 377.913 2.620 20 0 GFADRO O=C(CS(=O)(=O)c1ccc(Cl)cc1)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000367380545 563842853 /nfs/dbraw/zinc/84/28/53/563842853.db2.gz ACKSGWAOQTVZKN-UHFFFAOYSA-N 1 0 382.844 2.537 20 0 GFADRO O=C(C[NH2+][C@@H](c1cncc(Br)c1)C1CC1)N1CCOC[C@@H]1C1CC1 ZINC000367452880 563845264 /nfs/dbraw/zinc/84/52/64/563845264.db2.gz WVFYLQQBZZUNNR-SJLPKXTDSA-N 1 0 394.313 2.522 20 0 GFADRO C[C@@](CO)([NH2+]Cc1ccc2c(c1)NC(=O)CO2)c1ccc(Br)cc1 ZINC000294534701 563845738 /nfs/dbraw/zinc/84/57/38/563845738.db2.gz DHQBMGDFHXXQBN-SFHVURJKSA-N 1 0 391.265 2.777 20 0 GFADRO COc1cc(C)c(Br)cc1C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000367532923 563847940 /nfs/dbraw/zinc/84/79/40/563847940.db2.gz FZAZLZZRRUAGIQ-CQSZACIVSA-N 1 0 397.313 2.749 20 0 GFADRO C[N@@H+]1C[C@@H]2CN(S(=O)(=O)CCCC(F)(F)F)C[C@H]2[C@H]1c1ccccc1 ZINC000367954087 563860206 /nfs/dbraw/zinc/86/02/06/563860206.db2.gz FRFIVKZFPKEDDJ-BZUAXINKSA-N 1 0 376.444 2.893 20 0 GFADRO C[C@@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)[N@@H+]1CC[C@H](CC(N)=O)C1 ZINC000367981387 563861029 /nfs/dbraw/zinc/86/10/29/563861029.db2.gz AAKIPNFKKGZSHK-VHSXEESVSA-N 1 0 377.794 2.883 20 0 GFADRO CN1C(=O)CC[C@@H]([NH2+]Cc2cnc(C3OCCO3)s2)[C@H]1c1cccs1 ZINC000368030476 563862007 /nfs/dbraw/zinc/86/20/07/563862007.db2.gz NZOVLCBHHKAFPI-DOMZBBRYSA-N 1 0 379.507 2.702 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000416826140 563862040 /nfs/dbraw/zinc/86/20/40/563862040.db2.gz JRAYESNSQXSWSZ-HNNXBMFYSA-N 1 0 397.317 2.513 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H](NC(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)C1 ZINC000446398595 563863822 /nfs/dbraw/zinc/86/38/22/563863822.db2.gz ZSUWKKXFIXZGQX-OAGGEKHMSA-N 1 0 384.307 2.984 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)c(C)c1C[N@@H+]1CC[C@H](CC(N)=O)C1 ZINC000368131702 563864402 /nfs/dbraw/zinc/86/44/02/563864402.db2.gz BPIKWHNUXSGMJT-CQSZACIVSA-N 1 0 391.313 2.949 20 0 GFADRO COc1cc(C[N@@H+]2CC[C@H](CC(N)=O)C2)cc(Br)c1OC(F)F ZINC000368134417 563865049 /nfs/dbraw/zinc/86/50/49/563865049.db2.gz MDFBBTOQQACORE-SECBINFHSA-N 1 0 393.228 2.756 20 0 GFADRO COC(=O)[C@H]1CN(C(=O)Nc2cc(Cl)c(Cl)cc2OC)CC[N@H+](C)C1 ZINC000417030688 563865835 /nfs/dbraw/zinc/86/58/35/563865835.db2.gz APNJDXHOZAGKMM-SNVBAGLBSA-N 1 0 390.267 2.571 20 0 GFADRO C[NH+]1CCC(N(Cc2ccccc2Br)C(=O)c2ccn[nH]2)CC1 ZINC000368205697 563866294 /nfs/dbraw/zinc/86/62/94/563866294.db2.gz QHWFBTNPKACFNM-UHFFFAOYSA-N 1 0 377.286 2.909 20 0 GFADRO O=C(N[C@@H]1CC12CC[NH2+]CC2)c1ccn(-c2cccc(Br)c2)n1 ZINC000368218190 563866956 /nfs/dbraw/zinc/86/69/56/563866956.db2.gz WBVFEJKNRFHUTO-OAHLLOKOSA-N 1 0 375.270 2.507 20 0 GFADRO CC(C)(CNC(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1)c1ccc(Br)cc1 ZINC000417097761 563868088 /nfs/dbraw/zinc/86/80/88/563868088.db2.gz BLVCLWWKRJWPEH-UONOGXRCSA-N 1 0 380.330 2.978 20 0 GFADRO O=C(N[C@H]1CC12CC[NH2+]CC2)C1(c2ccc(Br)cc2)CCOCC1 ZINC000368382863 563869630 /nfs/dbraw/zinc/86/96/30/563869630.db2.gz BATLZFRUDYMAEN-INIZCTEOSA-N 1 0 393.325 2.756 20 0 GFADRO C[NH2+]C[C@@H]1CCCN1C(=O)N[C@H](C)c1cc2c(cc1Br)OCCO2 ZINC000417173142 563869988 /nfs/dbraw/zinc/86/99/88/563869988.db2.gz GWNRXZVILJAQNK-NEPJUHHUSA-N 1 0 398.301 2.675 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)N[C@@H](C)c2cc3c(cc2Br)OCCO3)C1 ZINC000417190201 563871888 /nfs/dbraw/zinc/87/18/88/563871888.db2.gz ZQYQOQYQEDCKQE-WOPDTQHZSA-N 1 0 398.301 2.660 20 0 GFADRO Cn1nc(Br)cc1C(=O)N1CCC[C@H]([NH2+]Cc2ccccc2)C1 ZINC000368460433 563871924 /nfs/dbraw/zinc/87/19/24/563871924.db2.gz CSLWJLHMFMPEEA-AWEZNQCLSA-N 1 0 377.286 2.577 20 0 GFADRO C[C@H](NC(=O)N[C@@H]1CCC[C@@H]([NH3+])C1)c1cc2c(cc1Br)OCCO2 ZINC000417189263 563871963 /nfs/dbraw/zinc/87/19/63/563871963.db2.gz YLAUNNZMWCXHNP-QJPTWQEYSA-N 1 0 398.301 2.850 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2S(=O)(=O)c1csc2ccccc21 ZINC000368512095 563872926 /nfs/dbraw/zinc/87/29/26/563872926.db2.gz PUBOYZMBGXUBOF-BMFZPTHFSA-N 1 0 380.535 2.774 20 0 GFADRO CC(C)[C@H]([NH3+])CCN(C)C(=O)NCCC(=O)Nc1ccc(Br)cc1 ZINC000417211882 563873747 /nfs/dbraw/zinc/87/37/47/563873747.db2.gz GPDPOQMHBPFNFN-OAHLLOKOSA-N 1 0 399.333 2.793 20 0 GFADRO C[NH+](C)Cc1ccsc1C(=O)NC[C@H](c1cccs1)N1CCOCC1 ZINC000447090034 563873938 /nfs/dbraw/zinc/87/39/38/563873938.db2.gz YCLVCXLLCNCGTO-OAHLLOKOSA-N 1 0 379.551 2.675 20 0 GFADRO C[C@@H]1CCN(C(=O)NCCC(=O)Nc2ccc(Br)cc2)[C@@H](C[NH3+])C1 ZINC000417225283 563874334 /nfs/dbraw/zinc/87/43/34/563874334.db2.gz NOCVISQYLOWRQZ-IUODEOHRSA-N 1 0 397.317 2.547 20 0 GFADRO Cc1c(I)cccc1C(=O)N1CC[C@@H]2CC[N@@H+](C)[C@H]2C1 ZINC000368591164 563874931 /nfs/dbraw/zinc/87/49/31/563874931.db2.gz LULNWICLZNCEQJ-WFASDCNBSA-N 1 0 384.261 2.766 20 0 GFADRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NC[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000417266822 563875782 /nfs/dbraw/zinc/87/57/82/563875782.db2.gz WXFOTCYCIQTDJB-CPUCHLNUSA-N 1 0 395.345 2.573 20 0 GFADRO C[C@H](NC(=O)N1C[C@@H](C[NH3+])C2(C1)CCOCC2)c1ccc(Br)cc1 ZINC000417303393 563877623 /nfs/dbraw/zinc/87/76/23/563877623.db2.gz DGVSAVFYMWORFY-DZGCQCFKSA-N 1 0 396.329 2.907 20 0 GFADRO C[C@H]1CN(S(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C[C@H]1[NH3+] ZINC000447241821 563877955 /nfs/dbraw/zinc/87/79/55/563877955.db2.gz CPABSSMOFFAALX-WRWORJQWSA-N 1 0 376.322 2.692 20 0 GFADRO C[C@@H]([NH2+][C@H](c1ccn(C)n1)c1ccc(Cl)cc1)C1CCS(=O)(=O)CC1 ZINC000368741665 563878330 /nfs/dbraw/zinc/87/83/30/563878330.db2.gz UXKVHHBSLCRBTR-ACJLOTCBSA-N 1 0 381.929 2.966 20 0 GFADRO COc1ccc(Br)cc1CNC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000417378284 563879369 /nfs/dbraw/zinc/87/93/69/563879369.db2.gz HKEDXKKTFXZZQV-KRWDZBQOSA-N 1 0 382.302 2.743 20 0 GFADRO CC(C)(C[NH3+])NC(=O)NCC1(c2ccc(Br)cc2)CCOCC1 ZINC000417419503 563879787 /nfs/dbraw/zinc/87/97/87/563879787.db2.gz DASIDRCIFVCHHI-UHFFFAOYSA-N 1 0 384.318 2.534 20 0 GFADRO C[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000417429486 563880013 /nfs/dbraw/zinc/88/00/13/563880013.db2.gz VNNUYKPSXMLQBN-BBRMVZONSA-N 1 0 385.339 2.614 20 0 GFADRO CC(C)C[C@H](C[NH3+])NC(=O)NCCc1ccc(I)s1 ZINC000417441954 563880697 /nfs/dbraw/zinc/88/06/97/563880697.db2.gz RXHRICZPVHHQCP-SNVBAGLBSA-N 1 0 395.310 2.568 20 0 GFADRO C[C@@H](CCCC[NH3+])NC(=O)N[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000417482429 563881096 /nfs/dbraw/zinc/88/10/96/563881096.db2.gz PKMRBHFERBWYSM-ZFWWWQNUSA-N 1 0 383.334 2.845 20 0 GFADRO COCC[C@]1([NH2+]CC(=O)N(C)Cc2cc(Cl)cc(Cl)c2)CCOC1 ZINC000447389763 563881157 /nfs/dbraw/zinc/88/11/57/563881157.db2.gz ARLMGUQSSKBQDF-KRWDZBQOSA-N 1 0 375.296 2.737 20 0 GFADRO Cn1nc(Br)cc1C(=O)N1CC[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC000368902211 563881576 /nfs/dbraw/zinc/88/15/76/563881576.db2.gz BQWBCGOARYWNSE-AWEZNQCLSA-N 1 0 377.286 2.529 20 0 GFADRO C[C@@]([NH3+])(C(=O)NCc1cc(Br)c2c(c1)OCCO2)c1ccccc1 ZINC000447434160 563881638 /nfs/dbraw/zinc/88/16/38/563881638.db2.gz DXKAKNCXMPOSGB-SFHVURJKSA-N 1 0 391.265 2.711 20 0 GFADRO CC1(C)CCC[N@H+](CCNC(=O)C(=O)Nc2cccc(Br)c2)C1 ZINC000447425936 563881898 /nfs/dbraw/zinc/88/18/98/563881898.db2.gz JIKFRQFPJVUQOB-UHFFFAOYSA-N 1 0 382.302 2.626 20 0 GFADRO C[C@H](Oc1cccc(Cl)c1Cl)C(=O)N1CCC[N@@H+]([C@@H](C)CO)CC1 ZINC000368959598 563882932 /nfs/dbraw/zinc/88/29/32/563882932.db2.gz XDJAMHPGHNTCNM-STQMWFEESA-N 1 0 375.296 2.676 20 0 GFADRO Cc1c(Br)ccc(C(=O)NC[C@H](O)C[NH+]2CCC(C)CC2)c1F ZINC000447557773 563883113 /nfs/dbraw/zinc/88/31/13/563883113.db2.gz LSIIDRAMWCXJNP-ZDUSSCGKSA-N 1 0 387.293 2.719 20 0 GFADRO CC(C)(C[NH3+])NC(=O)NCCSCCOc1cccc(Br)c1 ZINC000417596981 563885629 /nfs/dbraw/zinc/88/56/29/563885629.db2.gz RQSLZUYEHBIXBK-UHFFFAOYSA-N 1 0 390.347 2.598 20 0 GFADRO CC[C@@H](CNC(=O)N1CCCO[C@H](C[NH3+])C1)Cc1cccc(Br)c1 ZINC000417718476 563887489 /nfs/dbraw/zinc/88/74/89/563887489.db2.gz HLAHTEYKIKKDLE-RHSMWYFYSA-N 1 0 398.345 2.777 20 0 GFADRO O=C(NCC1(c2ccccc2Br)CC1)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000417735059 563887934 /nfs/dbraw/zinc/88/79/34/563887934.db2.gz SPZYGLDRJBCSMX-KGLIPLIRSA-N 1 0 378.314 2.732 20 0 GFADRO O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)N1CCC(n2cc(Br)cn2)CC1 ZINC000369149874 563887956 /nfs/dbraw/zinc/88/79/56/563887956.db2.gz RBANWUVZPVNXMK-GOEBONIOSA-N 1 0 396.333 2.619 20 0 GFADRO O=C(NCC1(c2ccccc2Br)CC1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000417737993 563888104 /nfs/dbraw/zinc/88/81/04/563888104.db2.gz WRBQAWHVKDTSOF-CZUORRHYSA-N 1 0 378.314 2.874 20 0 GFADRO O=C(NC[C@@H]1CCC[N@H+](Cc2cccnc2)C1)c1cncc(Br)c1 ZINC000369160119 563888245 /nfs/dbraw/zinc/88/82/45/563888245.db2.gz GOEZHPQVSIXBOT-HNNXBMFYSA-N 1 0 389.297 2.881 20 0 GFADRO C[C@@H](CNC(=O)N1CCC[C@@H](CC[NH3+])C1)Oc1ccc(Br)cc1 ZINC000417772977 563888487 /nfs/dbraw/zinc/88/84/87/563888487.db2.gz IKUVNNAHRKNSKB-KBPBESRZSA-N 1 0 384.318 2.987 20 0 GFADRO C[C@@H]1CN(C(=O)NCCOc2ncc(C(F)(F)F)cc2Cl)[C@H](C)C[NH2+]1 ZINC000417741618 563888558 /nfs/dbraw/zinc/88/85/58/563888558.db2.gz UWIAQLGIFCXFRI-NXEZZACHSA-N 1 0 380.798 2.524 20 0 GFADRO C[C@H](CNC(=O)N1CC[C@H](C)[C@H](C[NH3+])C1)Oc1cccc(Br)c1 ZINC000417789596 563889132 /nfs/dbraw/zinc/88/91/32/563889132.db2.gz HPODZAFAJIZROT-BFHYXJOUSA-N 1 0 384.318 2.843 20 0 GFADRO C[C@H](CNC(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2)Oc1cccc(Br)c1 ZINC000417785478 563889225 /nfs/dbraw/zinc/88/92/25/563889225.db2.gz CZAIEUWVYUEUDK-YUELXQCFSA-N 1 0 382.302 2.752 20 0 GFADRO COCC1(CNC(=O)N[C@@H]2COc3c2ccc(Cl)c3Cl)CC[NH2+]CC1 ZINC000417776925 563889266 /nfs/dbraw/zinc/88/92/66/563889266.db2.gz RTYCXHRHOROXQB-CYBMUJFWSA-N 1 0 388.295 2.742 20 0 GFADRO C[C@H](CNC(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1)Oc1cccc(Br)c1 ZINC000417788976 563889310 /nfs/dbraw/zinc/88/93/10/563889310.db2.gz GXDYTYUDCRAEQS-GFOFROLCSA-N 1 0 396.329 2.985 20 0 GFADRO C[C@@H](CNC(=O)N[C@@H]1C[NH2+]CCC1(F)F)Oc1ccc(Br)cc1 ZINC000417775759 563889415 /nfs/dbraw/zinc/88/94/15/563889415.db2.gz OFMRRRJARZKWKE-GXFFZTMASA-N 1 0 392.244 2.513 20 0 GFADRO Cc1cccc(CNC(=O)C[NH+]2CCC(n3cc(Br)cn3)CC2)c1 ZINC000369192102 563889681 /nfs/dbraw/zinc/88/96/81/563889681.db2.gz NXBWBIVMOWUNFX-UHFFFAOYSA-N 1 0 391.313 2.907 20 0 GFADRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2S(=O)(=O)c2ccc(OC(F)F)c(F)c2)C1 ZINC000447877792 563889927 /nfs/dbraw/zinc/88/99/27/563889927.db2.gz IWPOXQCRVJECTJ-FZMZJTMJSA-N 1 0 378.416 2.532 20 0 GFADRO C[C@@H](CNC(=O)NCC[C@H]1CCC[NH2+]C1)Oc1ccccc1Br ZINC000417826068 563890252 /nfs/dbraw/zinc/89/02/52/563890252.db2.gz NWOPCILFZUBYQT-UONOGXRCSA-N 1 0 384.318 2.905 20 0 GFADRO O=C(C[NH2+][C@H](CO)[C@@H]1CCCO1)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000447901545 563890577 /nfs/dbraw/zinc/89/05/77/563890577.db2.gz CGXQPAKNJAPQAN-IKGGRYGDSA-N 1 0 387.307 2.786 20 0 GFADRO C[C@H](NC(=O)N1CCC[C@@H]1C[NH3+])c1nc(-c2ccc(Br)cc2)no1 ZINC000417901883 563891574 /nfs/dbraw/zinc/89/15/74/563891574.db2.gz WYWAWEPFCFYPOV-GXFFZTMASA-N 1 0 394.273 2.693 20 0 GFADRO CO[C@@H]1CCN(C(=O)N[C@@H](C)Cc2ccccc2Br)[C@@H](C[NH3+])C1 ZINC000417902321 563891590 /nfs/dbraw/zinc/89/15/90/563891590.db2.gz WYHFIUYLKSKECY-NWANDNLSSA-N 1 0 384.318 2.528 20 0 GFADRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNS(=O)(=O)c1ccccc1Br ZINC000447942422 563891641 /nfs/dbraw/zinc/89/16/41/563891641.db2.gz UTTSXABLGRAACF-AWEZNQCLSA-N 1 0 375.332 2.848 20 0 GFADRO C[C@H](NC(=O)NC(C)(C)C[NH3+])c1nc(-c2ccc(Br)cc2)no1 ZINC000417901188 563891812 /nfs/dbraw/zinc/89/18/12/563891812.db2.gz VQVDNBUKXVUMNP-VIFPVBQESA-N 1 0 382.262 2.597 20 0 GFADRO CO[C@@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)NC1(C)CC[NH2+]CC1 ZINC000417971392 563892696 /nfs/dbraw/zinc/89/26/96/563892696.db2.gz AYXBJKGOAMVQME-IUODEOHRSA-N 1 0 384.318 2.966 20 0 GFADRO COC[C@@]1(CNC(=O)NCCOCc2ccc(Cl)cc2Cl)CCC[NH2+]1 ZINC000417975535 563893579 /nfs/dbraw/zinc/89/35/79/563893579.db2.gz FFNDRQRVOYOEKA-KRWDZBQOSA-N 1 0 390.311 2.578 20 0 GFADRO CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)N1CCC(C[NH3+])CC1 ZINC000417981534 563893748 /nfs/dbraw/zinc/89/37/48/563893748.db2.gz JZOYRLPOZBZRPT-LRDDRELGSA-N 1 0 384.318 2.905 20 0 GFADRO C[C@@]1(C[NH3+])CCN(C(=O)NCCc2c[nH]c3ccc(Br)cc23)C1 ZINC000417993918 563894069 /nfs/dbraw/zinc/89/40/69/563894069.db2.gz BOOWFZKFSJCPJO-KRWDZBQOSA-N 1 0 379.302 2.853 20 0 GFADRO Cc1cc(Br)cn2cc(CCNC(=O)N[C@H](C)CCCC[NH3+])nc12 ZINC000417995508 563894193 /nfs/dbraw/zinc/89/41/93/563894193.db2.gz AZYIRONVMYNNOV-CYBMUJFWSA-N 1 0 396.333 2.764 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)NCCSCc2ccc(Cl)cc2Cl)CCO1 ZINC000417991852 563894246 /nfs/dbraw/zinc/89/42/46/563894246.db2.gz VSHSOPQVQKBJHU-CYBMUJFWSA-N 1 0 378.325 2.596 20 0 GFADRO COc1cc(Br)ccc1CCCNC(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000417999436 563894696 /nfs/dbraw/zinc/89/46/96/563894696.db2.gz IALOBMKDIWMDDD-HUUCEWRRSA-N 1 0 384.318 2.959 20 0 GFADRO C[C@@H]1CCN(C(=O)NCc2cc(Br)cc3c2OCC3)[C@H](C[NH3+])C1 ZINC000418011322 563894920 /nfs/dbraw/zinc/89/49/20/563894920.db2.gz KQCOWNQPQYXFKH-ABAIWWIYSA-N 1 0 382.302 2.653 20 0 GFADRO [NH3+]C[C@H]1CC[C@H](CNC(=O)NCc2cc(Br)cc3c2OCC3)CC1 ZINC000418014389 563895488 /nfs/dbraw/zinc/89/54/88/563895488.db2.gz OIWLVUUUZFHWMR-JOCQHMNTSA-N 1 0 396.329 2.948 20 0 GFADRO Cc1ccc(NC(=O)C(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)c(Br)c1 ZINC000448319504 563895987 /nfs/dbraw/zinc/89/59/87/563895987.db2.gz QUVFDBKZIFODGN-HNNXBMFYSA-N 1 0 396.329 2.933 20 0 GFADRO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)Nc1ccccc1Br ZINC000448325599 563896142 /nfs/dbraw/zinc/89/61/42/563896142.db2.gz QOSXQNCRNOLFAX-CQSZACIVSA-N 1 0 382.302 2.624 20 0 GFADRO CCCOC[C@H](Cc1cccc(Br)c1)NC(=O)N(C)[C@@H](C)C[NH3+] ZINC000418032306 563896545 /nfs/dbraw/zinc/89/65/45/563896545.db2.gz PQFAYXJCTZSWHT-BBRMVZONSA-N 1 0 386.334 2.775 20 0 GFADRO CCn1c(CNC(=O)N2CCC[C@@H]([NH2+]C)C2)nc2cc(Br)ccc21 ZINC000418066321 563897266 /nfs/dbraw/zinc/89/72/66/563897266.db2.gz NMVQBNUHWVXHGE-CYBMUJFWSA-N 1 0 394.317 2.712 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)NCCc2c[nH]c3cc(Cl)cc(Cl)c23)CCCO1 ZINC000418063260 563897511 /nfs/dbraw/zinc/89/75/11/563897511.db2.gz HPENBGUTUXWLLY-ZDUSSCGKSA-N 1 0 385.295 2.776 20 0 GFADRO O=C(N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000418080653 563897774 /nfs/dbraw/zinc/89/77/74/563897774.db2.gz MQDZFCIGVYFZHB-XNRPHZJLSA-N 1 0 383.323 2.966 20 0 GFADRO O=C(N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000418077769 563897876 /nfs/dbraw/zinc/89/78/76/563897876.db2.gz IOYDHRNYPINNKS-KCQAQPDRSA-N 1 0 383.323 2.823 20 0 GFADRO [NH3+]C1CCN(C(=O)N[C@H]2CCCN(c3ccc(Cl)cc3Cl)C2=O)CC1 ZINC000418082559 563898223 /nfs/dbraw/zinc/89/82/23/563898223.db2.gz QMBPBKBPSZYFAT-AWEZNQCLSA-N 1 0 385.295 2.622 20 0 GFADRO [NH3+]C1(CNC(=O)NCc2ccc(Cl)cc2I)CCC1 ZINC000418087297 563898256 /nfs/dbraw/zinc/89/82/56/563898256.db2.gz GPIQEHJCXXRJKX-UHFFFAOYSA-N 1 0 393.656 2.625 20 0 GFADRO O=C(N[C@@H]1CSc2ccc(Br)cc21)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000418090027 563898624 /nfs/dbraw/zinc/89/86/24/563898624.db2.gz CCSCWGSHVYBVMQ-DDTOSNHZSA-N 1 0 382.327 2.989 20 0 GFADRO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000418114682 563899451 /nfs/dbraw/zinc/89/94/51/563899451.db2.gz OILZGHIRTIPRJR-HUUCEWRRSA-N 1 0 393.329 2.522 20 0 GFADRO C[NH2+]C[C@@H]1CCCN(C(=O)N[C@@H]2COc3cc(F)c(Br)cc32)C1 ZINC000418152170 563900510 /nfs/dbraw/zinc/90/05/10/563900510.db2.gz HLWRHOLJZHSFJZ-IINYFYTJSA-N 1 0 386.265 2.663 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)NCCc2c[nH]c3cccc(Br)c23)CC[NH2+]1 ZINC000418192982 563900664 /nfs/dbraw/zinc/90/06/64/563900664.db2.gz BFDGQDACIRMSPG-DGCLKSJQSA-N 1 0 379.302 2.913 20 0 GFADRO COC[C@@]1(CNC(=O)N[C@H](C)c2ccc(Br)cc2F)CCC[NH2+]1 ZINC000418185678 563900838 /nfs/dbraw/zinc/90/08/38/563900838.db2.gz PFVDHYRMRUGMKH-BZNIZROVSA-N 1 0 388.281 2.717 20 0 GFADRO COCC[N@@H+]1CC[C@H](NC(=O)c2cc3c(ccc(F)c3Br)[nH]2)C1 ZINC000448932421 563903372 /nfs/dbraw/zinc/90/33/72/563903372.db2.gz IUCBQEZCHHRAEQ-JTQLQIEISA-N 1 0 384.249 2.520 20 0 GFADRO Cc1ccc(CC(=O)N2CCC(OCC[NH+](C)C)CC2)c(Br)c1 ZINC000448969355 563904195 /nfs/dbraw/zinc/90/41/95/563904195.db2.gz JCGIABAFLWIQAB-UHFFFAOYSA-N 1 0 383.330 2.869 20 0 GFADRO CS(=O)(=O)N1CCC[C@@H]([NH2+]Cc2cnc(-c3c(F)cccc3F)s2)C1 ZINC000449097298 563907071 /nfs/dbraw/zinc/90/70/71/563907071.db2.gz CYIIQBIFEVJIAP-LLVKDONJSA-N 1 0 387.477 2.602 20 0 GFADRO CC[C@@H](O)CCC[NH2+]Cc1cc(Br)ccc1O[C@@H](C)C(=O)NC ZINC000449162601 563907498 /nfs/dbraw/zinc/90/74/98/563907498.db2.gz SKFXTEILDWOQJU-SWLSCSKDSA-N 1 0 387.318 2.603 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]C[C@H]1CCC[C@@H](O)C1 ZINC000449166330 563907563 /nfs/dbraw/zinc/90/75/63/563907563.db2.gz ZUTICUISIIPAHB-HEHGZKQESA-N 1 0 399.329 2.603 20 0 GFADRO O=C1[C@@H]([NH2+][C@@H]2CCc3c2ccc(F)c3Br)CCN1C1CCOCC1 ZINC000449176988 563907917 /nfs/dbraw/zinc/90/79/17/563907917.db2.gz OBHRPJFHFORPIZ-CVEARBPZSA-N 1 0 397.288 2.945 20 0 GFADRO O=C([C@H]1C[N@@H+]2CCN1CCC2)N1CCC(c2ccc(Br)cc2)CC1 ZINC000505173695 564178085 /nfs/dbraw/zinc/17/80/85/564178085.db2.gz TXRYQKVUXNEPRF-GOSISDBHSA-N 1 0 392.341 2.545 20 0 GFADRO CS(=O)(=O)N[C@@H]1CCCC[C@@H]1[NH2+]Cc1cccc(Br)c1F ZINC000449248707 564178121 /nfs/dbraw/zinc/17/81/21/564178121.db2.gz JVLXJAMYDRXDPI-QWHCGFSZSA-N 1 0 379.295 2.538 20 0 GFADRO Cc1[nH]c(=O)sc1S(=O)(=O)NCC[NH2+][C@H]1CC[C@H](CCC(C)C)C1 ZINC000449247201 564178126 /nfs/dbraw/zinc/17/81/26/564178126.db2.gz FWOACCBJUSVYEE-KBPBESRZSA-N 1 0 375.560 2.630 20 0 GFADRO CCN(CCC[NH+](C)C)C(=O)c1ccc(I)c(F)c1 ZINC000470841099 564178377 /nfs/dbraw/zinc/17/83/77/564178377.db2.gz NBLNHXDWJNEZTG-UHFFFAOYSA-N 1 0 378.229 2.844 20 0 GFADRO OC[C@H]([NH2+]C1CCN(c2cnccn2)CC1)c1ccc(Br)cc1 ZINC000537944286 564178640 /nfs/dbraw/zinc/17/86/40/564178640.db2.gz VWOKQQUFCLKNNE-INIZCTEOSA-N 1 0 377.286 2.531 20 0 GFADRO COc1nccc(C[NH2+][C@H](C)CC(=O)Nc2cccc(Br)c2)n1 ZINC000449374167 564181667 /nfs/dbraw/zinc/18/16/67/564181667.db2.gz XQTOTFVJDRUJKB-LLVKDONJSA-N 1 0 379.258 2.755 20 0 GFADRO O=c1ccc(Br)cn1CCNC1CC[NH+](C2CCCCC2)CC1 ZINC000449381060 564182793 /nfs/dbraw/zinc/18/27/93/564182793.db2.gz XJUUAKUKLRVLFF-UHFFFAOYSA-N 1 0 382.346 2.998 20 0 GFADRO OCCCN1CCC[C@@H]1C[NH2+]Cc1ccnc2c(Br)cccc12 ZINC000449385117 564183122 /nfs/dbraw/zinc/18/31/22/564183122.db2.gz DTLBQIZDDWLAOV-OAHLLOKOSA-N 1 0 378.314 2.934 20 0 GFADRO C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+]C[C@@H]1CCCCN1CCO ZINC000449388547 564183289 /nfs/dbraw/zinc/18/32/89/564183289.db2.gz AJLKWSJKPRKEOU-YOEHRIQHSA-N 1 0 398.345 2.603 20 0 GFADRO O=c1ccc(Br)cn1CC[NH2+]CCCc1ccc2c(c1)CCO2 ZINC000449381092 564183410 /nfs/dbraw/zinc/18/34/10/564183410.db2.gz XQKKANLKROGQQM-UHFFFAOYSA-N 1 0 377.282 2.768 20 0 GFADRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1Cc2cc(Br)ccc2O1 ZINC000471063458 564184711 /nfs/dbraw/zinc/18/47/11/564184711.db2.gz QJLKYATWKJXWDZ-NVXWUHKLSA-N 1 0 381.314 2.989 20 0 GFADRO C[N@@H+]1CCC[C@]2(CCN(C(=O)COc3ccc(Br)cc3F)C2)C1 ZINC000505503364 564184806 /nfs/dbraw/zinc/18/48/06/564184806.db2.gz OYNSFYSFHUVMIF-KRWDZBQOSA-N 1 0 385.277 2.911 20 0 GFADRO COc1sc(C[N@@H+]2C[C@H](O)C[C@H]2[C@@H]2CCCOC2)cc1Br ZINC000449432317 564185764 /nfs/dbraw/zinc/18/57/64/564185764.db2.gz GTSZPJIBQNXYTG-GYSYKLTISA-N 1 0 376.316 2.881 20 0 GFADRO CC[C@H](CNS(C)(=O)=O)[NH2+]Cc1c(C)nn(-c2ccc(Cl)cc2)c1C ZINC000449443539 564186932 /nfs/dbraw/zinc/18/69/32/564186932.db2.gz STHVIGJHGYMQGO-OAHLLOKOSA-N 1 0 384.933 2.560 20 0 GFADRO C[C@@H]1CC(C)(C)C[C@](CO)([NH2+]CC(=O)Nc2ccc(Br)cn2)C1 ZINC000471158719 564187318 /nfs/dbraw/zinc/18/73/18/564187318.db2.gz AHBUDIXGSCMLGX-SJKOYZFVSA-N 1 0 384.318 2.950 20 0 GFADRO CC[N@@H+]1CC[C@@H](CNC(=O)Nc2cc(OC)c(Br)c(OC)c2)C1 ZINC000538325566 564188374 /nfs/dbraw/zinc/18/83/74/564188374.db2.gz CSGQQKVVHXLBOE-NSHDSACASA-N 1 0 386.290 2.930 20 0 GFADRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)N1CCN(Cc2ccc(Cl)s2)CC1 ZINC000505697241 564188574 /nfs/dbraw/zinc/18/85/74/564188574.db2.gz FGKGBYNHBHRRTP-HOTGVXAUSA-N 1 0 382.961 2.856 20 0 GFADRO C[C@H](C(=O)N1CCO[C@@H](c2ccc(F)c(Br)c2)C1)[NH+]1CC(C)C1 ZINC000563391293 564189595 /nfs/dbraw/zinc/18/95/95/564189595.db2.gz NRWZFGPINKJYCS-MLGOLLRUSA-N 1 0 385.277 2.828 20 0 GFADRO C[C@@H]1C[C@H]([NH2+]C[C@H](CO)Cc2cc(Br)ccc2F)CN1C1CC1 ZINC000449600614 564190639 /nfs/dbraw/zinc/19/06/39/564190639.db2.gz OTAKLDYCHQAOBV-IOASZLSFSA-N 1 0 385.321 2.954 20 0 GFADRO COc1cc(NC(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)cc(OC)c1Br ZINC000563480573 564193401 /nfs/dbraw/zinc/19/34/01/564193401.db2.gz DRQQYVCYFVGBBC-QWRGUYRKSA-N 1 0 384.274 2.540 20 0 GFADRO CC[NH+](CC)[C@H](C)CNC(=O)[C@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000471351352 564193890 /nfs/dbraw/zinc/19/38/90/564193890.db2.gz WQPGWYYDKFDPPG-KGLIPLIRSA-N 1 0 396.329 2.649 20 0 GFADRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)NCCOc2ncc(Cl)cc2Cl)C1 ZINC000563515803 564194140 /nfs/dbraw/zinc/19/41/40/564194140.db2.gz ODJOPCNUICVQRO-ZDUSSCGKSA-N 1 0 375.300 2.891 20 0 GFADRO CN(C)c1ccncc1C[NH2+]C[C@@H](CO)Cc1ccc(F)c(Br)c1 ZINC000449684330 564196012 /nfs/dbraw/zinc/19/60/12/564196012.db2.gz PENIUBNFQQOIJI-AWEZNQCLSA-N 1 0 396.304 2.990 20 0 GFADRO CCn1cc(C[NH2+]C[C@@H](CO)Cc2cc(Br)ccc2OC)cn1 ZINC000449686154 564196778 /nfs/dbraw/zinc/19/67/78/564196778.db2.gz XSQBBBZJSBQNCO-ZDUSSCGKSA-N 1 0 382.302 2.615 20 0 GFADRO CCS(=O)(=O)c1ccc(CNC(=O)NCC[NH+]2[C@@H](C)CCC[C@@H]2C)s1 ZINC000471866280 564205314 /nfs/dbraw/zinc/20/53/14/564205314.db2.gz RSNJZKDXLONSFQ-KBPBESRZSA-N 1 0 387.571 2.604 20 0 GFADRO COc1cc[nH+]c(N2CCN(C(=O)c3ccsc3Br)CC2)c1 ZINC000449840867 564205944 /nfs/dbraw/zinc/20/59/44/564205944.db2.gz IWOXOENIGDJVGB-UHFFFAOYSA-N 1 0 382.283 2.877 20 0 GFADRO C[C@@H]([NH2+]CCCNS(=O)(=O)c1ccccc1Br)c1cccnc1 ZINC000506645065 564207528 /nfs/dbraw/zinc/20/75/28/564207528.db2.gz GCSYTWJEFSLOFE-CYBMUJFWSA-N 1 0 398.326 2.863 20 0 GFADRO C[NH+](C)C[C@@H]1CCN(C(=O)c2ccccc2-n2cc(Br)cn2)C1 ZINC000449885918 564207850 /nfs/dbraw/zinc/20/78/50/564207850.db2.gz IBSCCICVRQDAPB-ZDUSSCGKSA-N 1 0 377.286 2.659 20 0 GFADRO CC(C)N1C[C@@H]([NH2+][C@@H](C)CC(=O)Nc2cccc(Br)c2)CC1=O ZINC000539083031 564208874 /nfs/dbraw/zinc/20/88/74/564208874.db2.gz LIMYAICORXEJTQ-WFASDCNBSA-N 1 0 382.302 2.765 20 0 GFADRO COCCC[N@H+](C)CCNC(=O)c1cc2c(Br)cccc2cn1 ZINC000449945570 564210787 /nfs/dbraw/zinc/21/07/87/564210787.db2.gz QHSNOYODLBKWAQ-UHFFFAOYSA-N 1 0 380.286 2.695 20 0 GFADRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)c2[nH]nc(C3CC3)c2Br)C1 ZINC000472177189 564215567 /nfs/dbraw/zinc/21/55/67/564215567.db2.gz WARSFGOREINZLZ-ZDUSSCGKSA-N 1 0 399.333 2.623 20 0 GFADRO Cc1cc(Br)cc2c1CN(C[C@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)CC2 ZINC000539327625 564216461 /nfs/dbraw/zinc/21/64/61/564216461.db2.gz AWLDXRPBVDYDRU-DAYGRLMNSA-N 1 0 397.357 2.586 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)c2ccc(I)cc2F)C[N@@H+]1C1CC1 ZINC000450074553 564216526 /nfs/dbraw/zinc/21/65/26/564216526.db2.gz LPRPZJVWUFYKBL-KOLCDFICSA-N 1 0 388.224 2.785 20 0 GFADRO COc1ccc(C(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)c(I)c1 ZINC000472247748 564217023 /nfs/dbraw/zinc/21/70/23/564217023.db2.gz STHDIERPNJOEBB-WDEREUQCSA-N 1 0 388.249 2.512 20 0 GFADRO C[C@@H]([NH2+]C[C@H]1CCCCN1S(C)(=O)=O)c1cccc(Br)c1 ZINC000507209332 564221473 /nfs/dbraw/zinc/22/14/73/564221473.db2.gz GUXXITWXCAEALP-IUODEOHRSA-N 1 0 375.332 2.914 20 0 GFADRO CC(C)N(CC[NH+](C)C)C(=O)c1ccc(I)cc1F ZINC000450194458 564221791 /nfs/dbraw/zinc/22/17/91/564221791.db2.gz HAKXBZQZGCPDFO-UHFFFAOYSA-N 1 0 378.229 2.843 20 0 GFADRO CC(C)[NH+]1CCC(O)(CNC(=O)[C@H]2C[C@H]2c2cccc(Br)c2)CC1 ZINC000472433058 564222509 /nfs/dbraw/zinc/22/25/09/564222509.db2.gz YTTUHZMXJKAWLC-IRXDYDNUSA-N 1 0 395.341 2.904 20 0 GFADRO C[NH+](C)CCOc1cnccc1CNC(=O)c1ccccc1Br ZINC000564252059 564226299 /nfs/dbraw/zinc/22/62/99/564226299.db2.gz UIVJAPNKYWBECW-UHFFFAOYSA-N 1 0 378.270 2.715 20 0 GFADRO CCN1CCN(C(=O)C(=O)Nc2ccc(Br)cc2Cl)[C@@H](C)C1 ZINC000507399556 564227763 /nfs/dbraw/zinc/22/77/63/564227763.db2.gz IMZPQLLAOLQRCP-JTQLQIEISA-N 1 0 388.693 2.594 20 0 GFADRO Cc1c(Br)cccc1NC(=O)C(=O)N[C@@H](c1nccn1C)C1CC1 ZINC000507425922 564229214 /nfs/dbraw/zinc/22/92/14/564229214.db2.gz GFELMRSVIPBSDO-CQSZACIVSA-N 1 0 391.269 2.697 20 0 GFADRO Cc1cc(CNC(=O)NCC[N@@H+](C)C(C)C)ccc1I ZINC000507491189 564229907 /nfs/dbraw/zinc/22/99/07/564229907.db2.gz BDFJJQSVJBYRJD-UHFFFAOYSA-N 1 0 389.281 2.739 20 0 GFADRO C[N@H+](CCO)C1CCN(C(=O)c2cc3c(Br)cccc3cn2)CC1 ZINC000450410362 564232050 /nfs/dbraw/zinc/23/20/50/564232050.db2.gz MSQREVRLULNJFP-UHFFFAOYSA-N 1 0 392.297 2.526 20 0 GFADRO O[C@@H](C[NH2+]CC1(CF)CCOCC1)COc1cc(F)cc(Br)c1 ZINC000564442120 564233228 /nfs/dbraw/zinc/23/32/28/564233228.db2.gz AXSVQVKXWHBHCD-AWEZNQCLSA-N 1 0 394.256 2.684 20 0 GFADRO Cc1cc(OC[C@@H](O)C[NH2+][C@H]2CCCS(=O)(=O)C2)c(C(C)C)cc1Cl ZINC000564445013 564234448 /nfs/dbraw/zinc/23/44/48/564234448.db2.gz ZBSSXXZWYSKDFW-GJZGRUSLSA-N 1 0 389.945 2.678 20 0 GFADRO CN1CCN(C(=O)CC[NH2+][C@@H]2CCCc3ccc(Br)cc32)CC1 ZINC000539970016 564234355 /nfs/dbraw/zinc/23/43/55/564234355.db2.gz ZPPVAWPMZNYCLK-QGZVFWFLSA-N 1 0 380.330 2.580 20 0 GFADRO O=C(Nc1ccc(Br)cc1)C1CC[NH+](C[C@@H]2COCCO2)CC1 ZINC000450533808 564237646 /nfs/dbraw/zinc/23/76/46/564237646.db2.gz XLFCJGRVWMDEJE-MRXNPFEDSA-N 1 0 383.286 2.515 20 0 GFADRO Cc1ccc(NC(=O)C(=O)N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)c(Br)c1 ZINC000507666012 564237814 /nfs/dbraw/zinc/23/78/14/564237814.db2.gz GGMOOTSYMKUYDW-KGLIPLIRSA-N 1 0 394.313 2.781 20 0 GFADRO O=S(=O)(CC1CCC1)NC1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000540039304 564237927 /nfs/dbraw/zinc/23/79/27/564237927.db2.gz BYNBZMXJSMUHIX-UHFFFAOYSA-N 1 0 386.945 2.903 20 0 GFADRO C[NH+](C)CCn1nccc1NC(=O)[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000564603903 564240826 /nfs/dbraw/zinc/24/08/26/564240826.db2.gz QUBVSONYUSCJDT-LSDHHAIUSA-N 1 0 377.286 2.949 20 0 GFADRO O=C(CCC[N@@H+]1CC[C@@H](NC(=O)NC2CC2)C1)c1ccc(Br)cc1 ZINC000450744670 564245608 /nfs/dbraw/zinc/24/56/08/564245608.db2.gz AICYHMXCOWTERV-MRXNPFEDSA-N 1 0 394.313 2.948 20 0 GFADRO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)[C@H]1CC(=O)Nc2ccc(Br)cc21 ZINC000564714803 564246506 /nfs/dbraw/zinc/24/65/06/564246506.db2.gz KJIIZJHCTWDWLY-ZLDLUXBVSA-N 1 0 392.297 2.570 20 0 GFADRO Cn1c(-c2cccc(Br)c2)nnc1N1CC[NH+](CC2CC2)CC1 ZINC000507930444 564248262 /nfs/dbraw/zinc/24/82/62/564248262.db2.gz LZJPUHUSCRSIBI-UHFFFAOYSA-N 1 0 376.302 2.777 20 0 GFADRO C[C@]1(CNC(=O)COc2ccc(Br)cc2Cl)CCC[NH2+]C1 ZINC000564792450 564248838 /nfs/dbraw/zinc/24/88/38/564248838.db2.gz KOEBTXZGKFFACH-HNNXBMFYSA-N 1 0 375.694 2.987 20 0 GFADRO COC(=O)CC1([NH2+]CCc2c(Cl)cccc2Cl)CCS(=O)(=O)CC1 ZINC000450826053 564249424 /nfs/dbraw/zinc/24/94/24/564249424.db2.gz GZWDLXOHCPSDRN-UHFFFAOYSA-N 1 0 394.320 2.636 20 0 GFADRO C[C@H](CO)[N@@H+]1CCCN(CCCC(=O)c2ccc(Br)cc2)CC1 ZINC000450830409 564249489 /nfs/dbraw/zinc/24/94/89/564249489.db2.gz QFMJCYHFVFFKCG-OAHLLOKOSA-N 1 0 383.330 2.801 20 0 GFADRO COc1ccc(Br)cc1CNC(=O)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000564823674 564250701 /nfs/dbraw/zinc/25/07/01/564250701.db2.gz SOBPDDGKRQRFHR-OAHLLOKOSA-N 1 0 393.285 2.509 20 0 GFADRO COc1cc(C[NH2+][C@@H]2CCCN(C)C2=O)cc(Br)c1OC(F)F ZINC000540607310 564252443 /nfs/dbraw/zinc/25/24/43/564252443.db2.gz OKKSIFXQQQRJPC-LLVKDONJSA-N 1 0 393.228 2.770 20 0 GFADRO C[C@@H]1CN(C[C@H](O)C[NH2+]Cc2cccc(Br)c2Cl)C[C@@H](C)O1 ZINC000564855991 564252598 /nfs/dbraw/zinc/25/25/98/564252598.db2.gz JHOZEQCCFRYCCN-YRGRVCCFSA-N 1 0 391.737 2.662 20 0 GFADRO CCOCC[C@H](O)C[NH2+]C1CCN(Cc2ccc(Br)cc2)CC1 ZINC000564855715 564252990 /nfs/dbraw/zinc/25/29/90/564252990.db2.gz YZPXMAVRKMIQOB-SFHVURJKSA-N 1 0 385.346 2.791 20 0 GFADRO Cc1cc(Br)cc2c(C(=O)NC[C@H](C)N3CC[NH+](C)CC3)coc21 ZINC000473724758 564253552 /nfs/dbraw/zinc/25/35/52/564253552.db2.gz SMGGFLAFQZTCOH-ZDUSSCGKSA-N 1 0 394.313 2.869 20 0 GFADRO C[C@@H]([NH2+]Cc1cccc(S(C)(=O)=O)c1)C1CCN(CC(F)(F)F)CC1 ZINC000450940978 564255990 /nfs/dbraw/zinc/25/59/90/564255990.db2.gz OVVOHGXHJDSPBB-CYBMUJFWSA-N 1 0 378.460 2.843 20 0 GFADRO O=C(CC1CC[NH2+]CC1)NCc1ccc(I)c(Cl)c1 ZINC000564939984 564257873 /nfs/dbraw/zinc/25/78/73/564257873.db2.gz LWPXLWKWYDTLCX-UHFFFAOYSA-N 1 0 392.668 2.951 20 0 GFADRO CCN(CCC[NH+]1CCCC1)S(=O)(=O)c1ccc(Br)cc1 ZINC000473950629 564259970 /nfs/dbraw/zinc/25/99/70/564259970.db2.gz QFIMKUBJKHFYGZ-UHFFFAOYSA-N 1 0 375.332 2.946 20 0 GFADRO C[C@@H](Oc1ccc(Cl)c(Cl)c1)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000508329784 564261035 /nfs/dbraw/zinc/26/10/35/564261035.db2.gz IKJOQDYJUAPSSV-CYBMUJFWSA-N 1 0 388.339 2.903 20 0 GFADRO CCC[NH+]1CCC(NS(=O)(=O)c2cc(OC)cc(C(F)(F)F)c2)CC1 ZINC000450995071 564261097 /nfs/dbraw/zinc/26/10/97/564261097.db2.gz BADVSIBHCDMSRY-UHFFFAOYSA-N 1 0 380.432 2.867 20 0 GFADRO CC1(C)CCC[NH2+][C@H]1CNS(=O)(=O)Cc1cccc(Br)c1 ZINC000564970003 564261173 /nfs/dbraw/zinc/26/11/73/564261173.db2.gz AHOMLVXIALOBQA-AWEZNQCLSA-N 1 0 375.332 2.647 20 0 GFADRO O=S(=O)(Cc1ccc(F)cc1F)NCC1([NH+]2CCSCC2)CCCC1 ZINC000540939423 564261490 /nfs/dbraw/zinc/26/14/90/564261490.db2.gz SOYNUITYAIOHTR-UHFFFAOYSA-N 1 0 390.521 2.746 20 0 GFADRO CCC[C@H]([NH2+]C(C)C)C(=O)NC[C@H](CO)Cc1ccc(Br)cc1 ZINC000508548780 564266136 /nfs/dbraw/zinc/26/61/36/564266136.db2.gz PJDQNKXDCZRKNZ-WBVHZDCISA-N 1 0 385.346 2.883 20 0 GFADRO Cn1cc(Br)cc1-c1nnc(N2CC[NH+](C3CCCC3)CC2)n1C ZINC000508569727 564266769 /nfs/dbraw/zinc/26/67/69/564266769.db2.gz JBQGLSYKXDUMPV-UHFFFAOYSA-N 1 0 393.333 2.648 20 0 GFADRO OCC[N@H+](CCCCc1ccc(Cl)c(Cl)c1)CCN1CCOCC1 ZINC000474144757 564267469 /nfs/dbraw/zinc/26/74/69/564267469.db2.gz LJFIONLKZFBBSS-UHFFFAOYSA-N 1 0 375.340 2.943 20 0 GFADRO C[C@H]1CCCC[N@@H+]1CCNS(=O)(=O)Cc1ccc(Br)c(F)c1 ZINC000451054642 564268111 /nfs/dbraw/zinc/26/81/11/564268111.db2.gz JEJXFGCKDIHSOW-LBPRGKRZSA-N 1 0 393.322 2.882 20 0 GFADRO C[C@H]1CN(c2cccc(Cl)c2)CC[N@@H+]1C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000565170349 564268819 /nfs/dbraw/zinc/26/88/19/564268819.db2.gz ITLOHNMGCLJQAH-HOTGVXAUSA-N 1 0 385.961 2.522 20 0 GFADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2C)C1 ZINC000508705852 564270321 /nfs/dbraw/zinc/27/03/21/564270321.db2.gz LKVGIJUCWNNINQ-CYBMUJFWSA-N 1 0 395.349 2.751 20 0 GFADRO CC(C)NS(=O)(=O)CC[NH2+][C@H]1CCCc2c(Br)cccc21 ZINC000541256928 564271788 /nfs/dbraw/zinc/27/17/88/564271788.db2.gz RZIGLFWIQWFGCS-HNNXBMFYSA-N 1 0 375.332 2.744 20 0 GFADRO COc1cc(Br)ccc1CCC[N@@H+]1CCC[C@@H](N2CCNC2=O)C1 ZINC000541282646 564272537 /nfs/dbraw/zinc/27/25/37/564272537.db2.gz PFIJIJUJWSHGAI-MRXNPFEDSA-N 1 0 396.329 2.880 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)C[NH2+][C@H](C1CC1)[C@@]1(CO)CCCO1 ZINC000565260407 564272856 /nfs/dbraw/zinc/27/28/56/564272856.db2.gz WFYQVGFGMXNPIC-MSOLQXFVSA-N 1 0 397.313 2.606 20 0 GFADRO OCCC1([NH2+]Cc2nnnn2-c2ccccc2Br)CCCCC1 ZINC000474281338 564273320 /nfs/dbraw/zinc/27/33/20/564273320.db2.gz SXZSJLJEHYRWHT-UHFFFAOYSA-N 1 0 380.290 2.600 20 0 GFADRO CCOC(=O)C[C@H](C)[N@H+](C)CC(=O)NCCc1cccc(Cl)c1Cl ZINC000541330307 564274785 /nfs/dbraw/zinc/27/47/85/564274785.db2.gz NQGNFKXWBPLYOL-LBPRGKRZSA-N 1 0 375.296 2.926 20 0 GFADRO O=C(CC[NH2+][C@H]1C[C@H]2CCCCN2C1=O)Nc1ccc(Br)cc1 ZINC000565299927 564274906 /nfs/dbraw/zinc/27/49/06/564274906.db2.gz LHYUKPYFFRDDFG-CABCVRRESA-N 1 0 380.286 2.521 20 0 GFADRO Brc1ccc(C[NH2+]CCNc2ccccn2)c(N2CCOCC2)c1 ZINC000474345417 564275290 /nfs/dbraw/zinc/27/52/90/564275290.db2.gz AOMKIZOSHJCRHY-UHFFFAOYSA-N 1 0 391.313 2.882 20 0 GFADRO CCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cc(Br)ccc1C ZINC000508945501 564277270 /nfs/dbraw/zinc/27/72/70/564277270.db2.gz CVFSMADXYTYGGK-AWEZNQCLSA-N 1 0 382.302 2.687 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]1C1CCN(S(=O)(=O)c2c(Cl)cc(F)cc2Cl)CC1 ZINC000565422087 564280192 /nfs/dbraw/zinc/28/01/92/564280192.db2.gz KCBOHGGBJLXLHK-KGLIPLIRSA-N 1 0 397.299 2.649 20 0 GFADRO CC[C@H]([NH2+][C@@H](C)Cc1ccc(F)cc1Br)C(=O)N1CCOCC1 ZINC000565472522 564282535 /nfs/dbraw/zinc/28/25/35/564282535.db2.gz DJLHNAQIVGCZBI-LRDDRELGSA-N 1 0 387.293 2.746 20 0 GFADRO CCCC[N@H+](C)C[C@H](C)NS(=O)(=O)c1cc(Cl)ccc1C(=O)OC ZINC000565505739 564283781 /nfs/dbraw/zinc/28/37/81/564283781.db2.gz VRKPYIAATZARLN-LBPRGKRZSA-N 1 0 376.906 2.525 20 0 GFADRO Cc1noc(C)c1CC[NH2+]C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000565535898 564285441 /nfs/dbraw/zinc/28/54/41/564285441.db2.gz OFZZOWNXQXHPID-AWEZNQCLSA-N 1 0 387.249 2.765 20 0 GFADRO CO[C@@H]1CC[C@@H]([NH2+]C[C@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000565536199 564285536 /nfs/dbraw/zinc/28/55/36/564285536.db2.gz XWBTUUINJYHOFA-FRRDWIJNSA-N 1 0 378.694 2.999 20 0 GFADRO Cc1n[nH]cc1CCC[NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000565594591 564287558 /nfs/dbraw/zinc/28/75/58/564287558.db2.gz QQWHTKAQYXHKGE-OAHLLOKOSA-N 1 0 386.265 2.582 20 0 GFADRO CN(Cc1ccc(Cl)s1)C(=O)C[N@@H+]1CCC[C@@H](CC(C)(C)C(N)=O)C1 ZINC000451214823 564287613 /nfs/dbraw/zinc/28/76/13/564287613.db2.gz YJWKWWJOWJOQOI-ZDUSSCGKSA-N 1 0 385.961 2.974 20 0 GFADRO NC(=O)[C@H]1CCC[C@@H]([NH2+]Cc2c(F)ccc(I)c2F)C1 ZINC000474821502 564289872 /nfs/dbraw/zinc/28/98/72/564289872.db2.gz LDGWZSLRXHVGIS-DTWKUNHWSA-N 1 0 394.203 2.703 20 0 GFADRO CC(C)(C)C[C@H](CO)[NH2+]C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000565658343 564289918 /nfs/dbraw/zinc/28/99/18/564289918.db2.gz NETMGOFDRNPIIK-KGLIPLIRSA-N 1 0 378.282 2.715 20 0 GFADRO CC[NH+](CC)CCO[C@@H]1CCN(S(=O)(=O)Cc2c(F)cccc2Cl)C1 ZINC000451266895 564293207 /nfs/dbraw/zinc/29/32/07/564293207.db2.gz HDHANJGWULTPGA-CQSZACIVSA-N 1 0 392.924 2.742 20 0 GFADRO C[C@@H](CCc1ccc(I)cc1)[NH2+][C@@H](CO)c1cnn(C)c1 ZINC000474894567 564293212 /nfs/dbraw/zinc/29/32/12/564293212.db2.gz SNMNKXOLWGDOQH-LRDDRELGSA-N 1 0 399.276 2.669 20 0 GFADRO CC[C@@H]1[C@@H](CO)CC[N@@H+]1CC(=O)N(C)Cc1cc(Br)cs1 ZINC000451260873 564293365 /nfs/dbraw/zinc/29/33/65/564293365.db2.gz VCWWUCCQHMHJHO-BXUZGUMPSA-N 1 0 375.332 2.562 20 0 GFADRO C[C@@H](NC(=O)NCCNc1cccc(Br)c1)C1=CC[N@H+](C)CC1 ZINC000541893799 564293431 /nfs/dbraw/zinc/29/34/31/564293431.db2.gz FXHGLXPPCXUKLZ-CYBMUJFWSA-N 1 0 381.318 2.811 20 0 GFADRO CCCC[N@H+](C)C[C@@H](C)NC(=O)N[C@H](CO)c1cccc(Br)c1 ZINC000565749510 564294205 /nfs/dbraw/zinc/29/42/05/564294205.db2.gz KSKYDEBSILWXGE-CZUORRHYSA-N 1 0 386.334 2.902 20 0 GFADRO O=[S@](CC[N@@H+]1C[C@H](O)C[C@H]1[C@H]1CCCOC1)c1cc(Cl)ccc1Cl ZINC000451297605 564297371 /nfs/dbraw/zinc/29/73/71/564297371.db2.gz HIQUFTJYPYJPBB-CNDGSYCHSA-N 1 0 392.348 2.963 20 0 GFADRO Cc1ccccc1[C@@H](CO)[NH2+]C[C@@H](O)COc1ccc(Br)cc1 ZINC000541980729 564297520 /nfs/dbraw/zinc/29/75/20/564297520.db2.gz KTMVFYPKAOPKID-CRAIPNDOSA-N 1 0 380.282 2.820 20 0 GFADRO COC(=O)c1ccc(Br)cc1CN1C[C@H](O)C[C@@H]1[C@@H]1CCCOC1 ZINC000451301802 564297984 /nfs/dbraw/zinc/29/79/84/564297984.db2.gz JWIKYOOTAZRCSC-SRCQZFHVSA-N 1 0 398.297 2.598 20 0 GFADRO Cn1c2cc(Br)ccc2nc1C[N@@H+]1C[C@H](O)C[C@H]1[C@H]1CCCOC1 ZINC000451308419 564298963 /nfs/dbraw/zinc/29/89/63/564298963.db2.gz VOGWEGWGDZIERD-BJJXKVORSA-N 1 0 394.313 2.698 20 0 GFADRO C[NH+](C)CCN(Cc1ccccn1)S(=O)(=O)CCc1cccc(Cl)c1 ZINC000509451227 564300461 /nfs/dbraw/zinc/30/04/61/564300461.db2.gz LFGFPEGHJQEOHD-UHFFFAOYSA-N 1 0 381.929 2.671 20 0 GFADRO C[C@@H]1CN(Cc2noc(Cc3ccc(Br)cc3)n2)[C@@H](C)C[N@@H+]1C ZINC000509460656 564300600 /nfs/dbraw/zinc/30/06/00/564300600.db2.gz AVOGMQVDFCHDCY-OLZOCXBDSA-N 1 0 379.302 2.947 20 0 GFADRO OC[C@H](C[NH2+]C[C@H](O)COc1ccc(Br)cc1)c1ccc(F)cc1 ZINC000565892320 564300656 /nfs/dbraw/zinc/30/06/56/564300656.db2.gz MLHXYVWDOXDCTR-YOEHRIQHSA-N 1 0 398.272 2.694 20 0 GFADRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1CC(=O)Nc1c(F)cc(F)cc1Br ZINC000509449445 564300737 /nfs/dbraw/zinc/30/07/37/564300737.db2.gz MTPMNRUFGMPPQS-VHSXEESVSA-N 1 0 376.245 2.690 20 0 GFADRO C[C@@H](NC(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1)c1ccc(Br)cn1 ZINC000475249331 564303852 /nfs/dbraw/zinc/30/38/52/564303852.db2.gz VSNYZDHRYSJIIY-HIFRSBDPSA-N 1 0 399.333 2.657 20 0 GFADRO C[N@@H+]1CCC[C@H](CNC(=O)NCC[C@H](O)C(F)(F)F)[C@@H]1c1cccs1 ZINC000542186516 564304107 /nfs/dbraw/zinc/30/41/07/564304107.db2.gz VMGCJDNAHFQOBL-KWCYVHTRSA-N 1 0 379.448 2.744 20 0 GFADRO CC[NH+]1CCC(CNC(=O)c2cc(Br)c(OC)c(OC)c2)CC1 ZINC000565964726 564304350 /nfs/dbraw/zinc/30/43/50/564304350.db2.gz OZEBPLDPBHNHMT-UHFFFAOYSA-N 1 0 385.302 2.928 20 0 GFADRO COCC[N@@H+]1CCCN(C(=O)CCc2ccc(C)cc2Br)CC1 ZINC000475323229 564305367 /nfs/dbraw/zinc/30/53/67/564305367.db2.gz CHELLJZBLJHNGL-UHFFFAOYSA-N 1 0 383.330 2.871 20 0 GFADRO CCCC[N@H+](C)CCNC(=O)C(=O)Nc1cc(Br)c(F)cc1C ZINC000475302080 564305881 /nfs/dbraw/zinc/30/58/81/564305881.db2.gz KCEGNVFTADGFJH-UHFFFAOYSA-N 1 0 388.281 2.683 20 0 GFADRO O=C(C1CC[NH+]([C@H]2CCSC2)CC1)N1CCC[C@](O)(C(F)(F)F)CC1 ZINC000566018715 564307005 /nfs/dbraw/zinc/30/70/05/564307005.db2.gz MLMCENRVCZLJBI-GOEBONIOSA-N 1 0 380.476 2.510 20 0 GFADRO O=C(CN1CCSC[C@@H]1CO)N[C@H](c1cccs1)c1ccc(F)cc1 ZINC000542268955 564307731 /nfs/dbraw/zinc/30/77/31/564307731.db2.gz XCBKRNQOXXOQTC-YJBOKZPZSA-N 1 0 380.510 2.503 20 0 GFADRO C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000509656652 564308247 /nfs/dbraw/zinc/30/82/47/564308247.db2.gz JHBLXKRWEQHLAN-BZPMIXESSA-N 1 0 384.307 2.897 20 0 GFADRO C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)c1ncc(Br)cc1Br ZINC000566102357 564309361 /nfs/dbraw/zinc/30/93/61/564309361.db2.gz JZVHJMHOHKASJO-SOCHQFKDSA-N 1 0 391.107 2.723 20 0 GFADRO COC[C@@]1(CNC(=O)c2ccn(-c3ccc(Cl)c(Cl)c3)n2)CCC[NH2+]1 ZINC000566102350 564309383 /nfs/dbraw/zinc/30/93/83/564309383.db2.gz JRPQNUOJCPXEFM-KRWDZBQOSA-N 1 0 383.279 2.678 20 0 GFADRO CCCC[N@H+](C)CC(=O)N(C)CC(=O)Nc1ccc(Br)cc1C ZINC000509834445 564314568 /nfs/dbraw/zinc/31/45/68/564314568.db2.gz VYCJBYFNICQMHQ-UHFFFAOYSA-N 1 0 384.318 2.886 20 0 GFADRO Ic1ccc(CN2CCC[C@@H]2C[NH2+][C@@H]2CCOC2)cc1 ZINC000475635451 564314591 /nfs/dbraw/zinc/31/45/91/564314591.db2.gz PUEASNZKZDRVFB-HZPDHXFCSA-N 1 0 386.277 2.634 20 0 GFADRO Cc1ncc(C[NH2+][C@H](C)CC(=O)Nc2cccc(Br)c2)c(=O)[nH]1 ZINC000542484049 564314984 /nfs/dbraw/zinc/31/49/84/564314984.db2.gz OQHRWGNCHCIGKU-SNVBAGLBSA-N 1 0 379.258 2.760 20 0 GFADRO C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]C[C@@H]1CCCCS1(=O)=O ZINC000542483914 564315294 /nfs/dbraw/zinc/31/52/94/564315294.db2.gz UYVXERFTCXCKDB-HOCLYGCPSA-N 1 0 386.945 2.634 20 0 GFADRO C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]C[C@H]1CCCCS1(=O)=O ZINC000542483913 564315489 /nfs/dbraw/zinc/31/54/89/564315489.db2.gz UYVXERFTCXCKDB-GOEBONIOSA-N 1 0 386.945 2.634 20 0 GFADRO CCO[C@@H]1C[C@@]([NH3+])(C(=O)Nc2cnc3c(Br)cccn23)C1(C)C ZINC000566197345 564316550 /nfs/dbraw/zinc/31/65/50/564316550.db2.gz XEHUWFBTSNKCMO-BDJLRTHQSA-N 1 0 381.274 2.568 20 0 GFADRO NS(=O)(=O)c1ccc(Cl)c(NC(=O)C[NH2+][C@@H](c2cccs2)C2CC2)c1 ZINC000542512113 564317405 /nfs/dbraw/zinc/31/74/05/564317405.db2.gz WBNBRVLMYLRPFT-MRXNPFEDSA-N 1 0 399.925 2.728 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H](CNC(=O)[C@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)C1 ZINC000566212556 564317518 /nfs/dbraw/zinc/31/75/18/564317518.db2.gz UICPHGYMAQQHSS-MRVWCRGKSA-N 1 0 384.307 2.980 20 0 GFADRO C[NH+]1CCN(Cc2ccc(NC(=O)[C@@]3(C)CCCO3)cc2Br)CC1 ZINC000475751338 564317869 /nfs/dbraw/zinc/31/78/69/564317869.db2.gz XNPBOTAPFRCMKG-GOSISDBHSA-N 1 0 396.329 2.704 20 0 GFADRO CC[NH+]1CCN(CC(=O)N2CCc3c(Br)cccc3[C@H]2C)CC1 ZINC000509927632 564318254 /nfs/dbraw/zinc/31/82/54/564318254.db2.gz KBXRWWPYRGZCBP-CQSZACIVSA-N 1 0 380.330 2.532 20 0 GFADRO CO[C@@H]1[C@@H](C)[C@@H]([NH2+]Cc2nnnn2-c2ccccc2Br)C1(C)C ZINC000451508800 564320478 /nfs/dbraw/zinc/32/04/78/564320478.db2.gz YIHMVXGJVOTUIK-COLVAYQJSA-N 1 0 380.290 2.574 20 0 GFADRO CSc1cccc(S(=O)(=O)NCc2cccc(OCC[NH+](C)C)c2)c1 ZINC000509980062 564320662 /nfs/dbraw/zinc/32/06/62/564320662.db2.gz WURZLVSUHGDZSE-UHFFFAOYSA-N 1 0 380.535 2.827 20 0 GFADRO CN1CCO[C@H]2CCN(C(=O)c3cc4c(Br)cccc4cn3)C[C@@H]21 ZINC000451531048 564322965 /nfs/dbraw/zinc/32/29/65/564322965.db2.gz RGCCOQYEFZGXGT-IRXDYDNUSA-N 1 0 390.281 2.542 20 0 GFADRO CCOCCC[N@@H+]1CC[C@H](NS(=O)(=O)c2cccc(SC)c2)[C@H](C)C1 ZINC000510144691 564326196 /nfs/dbraw/zinc/32/61/96/564326196.db2.gz CPHXIWNGSGOXPT-QAPCUYQASA-N 1 0 386.583 2.824 20 0 GFADRO O=C(C[NH2+]C1(CO)Cc2ccccc2C1)Nc1ccc(Br)cc1 ZINC000510252631 564328510 /nfs/dbraw/zinc/32/85/10/564328510.db2.gz XVTIDZRITLBQBC-UHFFFAOYSA-N 1 0 375.266 2.507 20 0 GFADRO CN(Cc1ccccc1Br)C(=O)C[NH2+][C@@H]([C@H](CO)C1CC1)C1CC1 ZINC000451589952 564329208 /nfs/dbraw/zinc/32/92/08/564329208.db2.gz LPEHYAYNJVNVDK-VQIMIIECSA-N 1 0 395.341 2.794 20 0 GFADRO CCOC1CC(C[NH2+][C@@H](C)c2cncc(Br)c2)(N2CCOCC2)C1 ZINC000566502179 564329546 /nfs/dbraw/zinc/32/95/46/564329546.db2.gz YFICHEYKEPDZOQ-NNGSBXSVSA-N 1 0 398.345 2.765 20 0 GFADRO C[N@H+](CC1CC1)C[C@H]1CCN(S(=O)(=O)c2c(F)c(F)cc(F)c2F)C1 ZINC000510339557 564330161 /nfs/dbraw/zinc/33/01/61/564330161.db2.gz FSKZKQNZGXLZCC-LLVKDONJSA-N 1 0 380.407 2.595 20 0 GFADRO C[C@H]1C[C@H](NC(=O)Nc2ccc(I)cc2F)CC[NH2+]1 ZINC000566504105 564330320 /nfs/dbraw/zinc/33/03/20/564330320.db2.gz ANJUFALCQPZFSR-WCBMZHEXSA-N 1 0 377.201 2.692 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)Nc2ccc(I)cc2F)CC[NH2+]1 ZINC000566504103 564330881 /nfs/dbraw/zinc/33/08/81/564330881.db2.gz ANJUFALCQPZFSR-PSASIEDQSA-N 1 0 377.201 2.692 20 0 GFADRO COCC[C@H](Cc1cccc(Br)c1)C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000510409903 564332951 /nfs/dbraw/zinc/33/29/51/564332951.db2.gz VMPRNGYAIGQCEW-QAPCUYQASA-N 1 0 383.330 2.842 20 0 GFADRO CCCS(=O)(=O)Nc1cc(NC(=O)[C@@]2(C)CCCC[NH2+]2)c(F)cc1F ZINC000510451634 564333790 /nfs/dbraw/zinc/33/37/90/564333790.db2.gz MKEVTMGLRYKPBB-MRXNPFEDSA-N 1 0 375.441 2.587 20 0 GFADRO COc1c(Br)cc(C[NH2+]C2CN(C(C)=O)C2)cc1Br ZINC000566630215 564335212 /nfs/dbraw/zinc/33/52/12/564335212.db2.gz ICTLTBSWFQOZEQ-UHFFFAOYSA-N 1 0 392.091 2.541 20 0 GFADRO CCS(=O)(=O)NCCC[N@H+](Cc1ccc(Br)cc1)C(C)C ZINC000510514348 564336654 /nfs/dbraw/zinc/33/66/54/564336654.db2.gz LJLVISMAWFEOSF-UHFFFAOYSA-N 1 0 377.348 2.989 20 0 GFADRO O=C(CNC(=O)c1ccc(Cl)c(Cl)c1)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000566656750 564336957 /nfs/dbraw/zinc/33/69/57/564336957.db2.gz VYSAGBIJJDSLIZ-CQSZACIVSA-N 1 0 384.307 2.856 20 0 GFADRO C[C@@H]1Cc2cc(S(=O)(=O)N3C[C@@H]([NH+]4CCCC4)C[C@@H]3C)cc(Cl)c2O1 ZINC000510537726 564337649 /nfs/dbraw/zinc/33/76/49/564337649.db2.gz JMTSGWINLVSVEX-GUTXKFCHSA-N 1 0 384.929 2.911 20 0 GFADRO COc1ccc(C[C@@](C)(O)C[NH2+]Cc2ccc(Br)cn2)cc1OC ZINC000566708355 564339251 /nfs/dbraw/zinc/33/92/51/564339251.db2.gz JACPKQPGCNPILR-GOSISDBHSA-N 1 0 395.297 2.945 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)N[C@H](Cc2cccc(Br)c2)CC2CC2)CCO1 ZINC000566727834 564339881 /nfs/dbraw/zinc/33/98/81/564339881.db2.gz KTSMTCFALTXZFG-DLBZAZTESA-N 1 0 396.329 2.529 20 0 GFADRO COCC[C@@H]([NH2+]CCCS(=O)(=O)N(C)C)c1cccc(C(F)(F)F)c1 ZINC000451694843 564341463 /nfs/dbraw/zinc/34/14/63/564341463.db2.gz NOPIZUOHCRFBAE-OAHLLOKOSA-N 1 0 382.448 2.654 20 0 GFADRO CC[NH+]1CCN(CC(=O)N(Cc2cccc(Br)c2)CC2CC2)CC1 ZINC000476551704 564345230 /nfs/dbraw/zinc/34/52/30/564345230.db2.gz VWVQXORGEUWUOL-UHFFFAOYSA-N 1 0 394.357 2.825 20 0 GFADRO O=C(NCc1cc(F)c(F)cc1Br)N1CC[NH+](CC2CC2)CC1 ZINC000510759380 564345755 /nfs/dbraw/zinc/34/57/55/564345755.db2.gz ZICODMKNEBXOOQ-UHFFFAOYSA-N 1 0 388.256 2.965 20 0 GFADRO CN(C)S(=O)(=O)CC[NH+]1CCC(c2cccc(Br)c2)CC1 ZINC000510762628 564346573 /nfs/dbraw/zinc/34/65/73/564346573.db2.gz IITDBQKSQQYMEO-UHFFFAOYSA-N 1 0 375.332 2.520 20 0 GFADRO C[C@@H](NC(=O)C1=Cc2cc(Br)ccc2OC1)C1=CC[N@H+](C)CC1 ZINC000510772112 564346745 /nfs/dbraw/zinc/34/67/45/564346745.db2.gz BZZJCVHUQGTJHA-GFCCVEGCSA-N 1 0 377.282 2.992 20 0 GFADRO C[C@@H](C[NH+]1CCCCCC1)NS(=O)(=O)c1ccc(OCC(F)F)cc1 ZINC000476611398 564348018 /nfs/dbraw/zinc/34/80/18/564348018.db2.gz NSXPOFQEZZXJFZ-AWEZNQCLSA-N 1 0 376.469 2.873 20 0 GFADRO OCC[N@H+](C[C@@H](O)COc1ccc(Cl)cc1Br)CC1CC1 ZINC000510933453 564351179 /nfs/dbraw/zinc/35/11/79/564351179.db2.gz DHLBXAOKIINOQN-CYBMUJFWSA-N 1 0 378.694 2.547 20 0 GFADRO [NH3+][C@H]1CCC[C@@H](CNC(=O)CNC(=O)c2sc3ccccc3c2Cl)C1 ZINC000566972904 564351528 /nfs/dbraw/zinc/35/15/28/564351528.db2.gz DTOIREAEDHUODU-NEPJUHHUSA-N 1 0 379.913 2.918 20 0 GFADRO C[C@H](O)C[N@@H+]1CCN(C(=O)CCCc2ccc(Br)s2)[C@H](C)C1 ZINC000476819067 564353687 /nfs/dbraw/zinc/35/36/87/564353687.db2.gz ACANPSKFVHJRTF-OLZOCXBDSA-N 1 0 389.359 2.747 20 0 GFADRO C[C@@H]1[C@H](C)N(C(=O)Nc2ccc(F)cc2I)CC[N@H+]1C ZINC000543626969 564356379 /nfs/dbraw/zinc/35/63/79/564356379.db2.gz OMKUUKBDQOLRLA-ZJUUUORDSA-N 1 0 391.228 2.987 20 0 GFADRO O=S(=O)(CC[NH2+]CCCc1nccs1)c1cccc(Br)c1 ZINC000567105055 564357588 /nfs/dbraw/zinc/35/75/88/564357588.db2.gz NSFAATZOFSYLEH-UHFFFAOYSA-N 1 0 389.340 2.902 20 0 GFADRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2c(Cl)cccc2S(C)(=O)=O)C1 ZINC000476909600 564358599 /nfs/dbraw/zinc/35/85/99/564358599.db2.gz ZMZVXILEZBYRCP-CYBMUJFWSA-N 1 0 386.945 2.984 20 0 GFADRO COc1ccc(S(=O)(=O)NC(C)(C)CCC[NH+](C)C)c(Br)c1 ZINC000451884665 564362407 /nfs/dbraw/zinc/36/24/07/564362407.db2.gz GSBPDWHYOQFVNC-UHFFFAOYSA-N 1 0 393.347 2.856 20 0 GFADRO O=C(CCNC(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2)Nc1cc(Cl)cc(Cl)c1 ZINC000567249183 564363016 /nfs/dbraw/zinc/36/30/16/564363016.db2.gz AEMQLUNOLHETHT-KGLIPLIRSA-N 1 0 385.295 2.858 20 0 GFADRO COc1ccc(Cl)cc1NC(=O)CC[N@@H+]1CC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000451902533 564364498 /nfs/dbraw/zinc/36/44/98/564364498.db2.gz HZVBVDSARQXLGK-ZUZCIYMTSA-N 1 0 380.794 2.922 20 0 GFADRO O=C(CCCCCc1cccs1)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000511259654 564364868 /nfs/dbraw/zinc/36/48/68/564364868.db2.gz KJSRVMWFWXBUPF-OAHLLOKOSA-N 1 0 377.476 2.803 20 0 GFADRO CCc1ccc([C@@H](CO)[NH2+]CC(=O)Nc2ccc(Br)cn2)cc1 ZINC000543811514 564365114 /nfs/dbraw/zinc/36/51/14/564365114.db2.gz RWEMYNLOGAPIMJ-OAHLLOKOSA-N 1 0 378.270 2.668 20 0 GFADRO CC[NH+]1CCC(NC(=O)N[C@H](CCO)c2ccccc2Br)CC1 ZINC000543821416 564365196 /nfs/dbraw/zinc/36/51/96/564365196.db2.gz LULAQVXRRZZTNX-MRXNPFEDSA-N 1 0 384.318 2.656 20 0 GFADRO CC(C)[N@H+](C)CC1CCN(S(=O)(=O)c2ccc(C(F)(F)F)nc2)CC1 ZINC000543907773 564368453 /nfs/dbraw/zinc/36/84/53/564368453.db2.gz ZFHWXTUHVKLKLT-UHFFFAOYSA-N 1 0 379.448 2.841 20 0 GFADRO CC(C)[NH2+]C1(CO)CCN(C[C@@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000567363982 564369252 /nfs/dbraw/zinc/36/92/52/564369252.db2.gz XERKSTVUJJTWKW-OAHLLOKOSA-N 1 0 391.339 2.558 20 0 GFADRO C[C@@H]1CC[N@H+](C)CCN1C(=O)c1ccc(F)c(I)c1 ZINC000477227311 564369524 /nfs/dbraw/zinc/36/95/24/564369524.db2.gz FIVKOIFXFKZJMS-SNVBAGLBSA-N 1 0 376.213 2.597 20 0 GFADRO CC(C)C[C@@H](C[NH3+])NC(=O)Nc1ccc(I)cc1F ZINC000567408874 564370040 /nfs/dbraw/zinc/37/00/40/564370040.db2.gz HFYZXCVEKYCKMI-JTQLQIEISA-N 1 0 379.217 2.925 20 0 GFADRO C[C@H](CC[NH3+])NC(=O)c1nn(-c2cccc(Br)c2)c2c1CCCC2 ZINC000477245529 564370913 /nfs/dbraw/zinc/37/09/13/564370913.db2.gz YSRJZJZOWWHFLO-GFCCVEGCSA-N 1 0 391.313 2.981 20 0 GFADRO C[NH+](C)[C@H]1CCCN(C(=O)NCc2cc(F)c(F)cc2Br)C1 ZINC000511386696 564371106 /nfs/dbraw/zinc/37/11/06/564371106.db2.gz FRVSKFMLLRUBSK-NSHDSACASA-N 1 0 376.245 2.963 20 0 GFADRO CC(=O)c1cc(Br)ccc1OCC(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000511445783 564372564 /nfs/dbraw/zinc/37/25/64/564372564.db2.gz QYKGFUWKNVIHGT-CQSZACIVSA-N 1 0 383.286 2.583 20 0 GFADRO COCC[N@@H+](Cc1ccc(F)c(Cl)c1)C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000451974721 564374032 /nfs/dbraw/zinc/37/40/32/564374032.db2.gz JIUWNCLUXOKVDN-OAHLLOKOSA-N 1 0 392.924 2.599 20 0 GFADRO CN(C)S(=O)(=O)n1ccnc1C[NH2+][C@@H]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000567557915 564376772 /nfs/dbraw/zinc/37/67/72/564376772.db2.gz RORMEEVOLCKAMZ-GOEBONIOSA-N 1 0 382.917 2.617 20 0 GFADRO C[C@H](CNC(=O)c1ccc(F)c(I)c1)C[NH+]1CCCC1 ZINC000477432817 564377072 /nfs/dbraw/zinc/37/70/72/564377072.db2.gz BIGMNRDZZKRQBE-LLVKDONJSA-N 1 0 390.240 2.892 20 0 GFADRO C[C@@](CO)([NH2+]CC(=O)NCc1ccc(F)cc1)c1ccc(Br)cc1 ZINC000511625765 564377414 /nfs/dbraw/zinc/37/74/14/564377414.db2.gz SNVSGWMJBJWZHX-SFHVURJKSA-N 1 0 395.272 2.702 20 0 GFADRO Cc1ccc(Br)cc1S(=O)(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000567588265 564378631 /nfs/dbraw/zinc/37/86/31/564378631.db2.gz RKIOZPZFQWXBDB-AWEZNQCLSA-N 1 0 387.343 2.768 20 0 GFADRO CC(C)C[C@](C)(C[NH3+])NC(=O)Cc1cc2c(cc1Br)OCCO2 ZINC000567604804 564379647 /nfs/dbraw/zinc/37/96/47/564379647.db2.gz DACSXWAQOSCOEX-QGZVFWFLSA-N 1 0 385.302 2.643 20 0 GFADRO O=C(Cn1cc(Br)cn1)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000511767033 564381047 /nfs/dbraw/zinc/38/10/47/564381047.db2.gz JDKPDBZBBSLKBP-UHFFFAOYSA-N 1 0 383.334 2.951 20 0 GFADRO CN1CCCC(C)(C)[C@H]1C[NH2+]Cc1ncc(I)s1 ZINC000511764926 564381500 /nfs/dbraw/zinc/38/15/00/564381500.db2.gz JSYMJOUKYQSQFY-SNVBAGLBSA-N 1 0 379.311 2.958 20 0 GFADRO Cc1c(I)cccc1C(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000567672761 564382463 /nfs/dbraw/zinc/38/24/63/564382463.db2.gz ISEJBOZORKQUMN-MRXNPFEDSA-N 1 0 384.261 2.815 20 0 GFADRO O=C(CC[NH2+]C[C@H](O)Cc1ccccc1)Nc1ccc(Br)cc1 ZINC000567678483 564382648 /nfs/dbraw/zinc/38/26/48/564382648.db2.gz UKLIKRPHPMIBPT-QGZVFWFLSA-N 1 0 377.282 2.971 20 0 GFADRO COC(=O)[C@H](c1cc(Cl)cc(Cl)c1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000477648062 564382746 /nfs/dbraw/zinc/38/27/46/564382746.db2.gz XCYXQQMPRIINFK-GUYCJALGSA-N 1 0 387.307 2.862 20 0 GFADRO COCCN1CC[C@H]([NH2+][C@@H](C)c2cc3c(cc2Br)OCCO3)C1 ZINC000544350409 564382759 /nfs/dbraw/zinc/38/27/59/564382759.db2.gz BILHZKMBNJGBFI-STQMWFEESA-N 1 0 385.302 2.592 20 0 GFADRO Cc1cc(C)c(C(=O)NCC[N@H+]2CC=CCC2)cc1I ZINC000477640919 564382753 /nfs/dbraw/zinc/38/27/53/564382753.db2.gz VTCRFXZBLGUIIM-UHFFFAOYSA-N 1 0 384.261 2.900 20 0 GFADRO Cc1cc(Br)cn2c(CN3CC[NH+](C[C@H]4CCOC4)CC3)cnc12 ZINC000544349937 564383299 /nfs/dbraw/zinc/38/32/99/564383299.db2.gz SXEVICSMMDLJHK-OAHLLOKOSA-N 1 0 393.329 2.559 20 0 GFADRO CS(=O)(=O)C1(C[NH2+]C[C@H](O)COc2c(Cl)cccc2Cl)CCCC1 ZINC000567708024 564384260 /nfs/dbraw/zinc/38/42/60/564384260.db2.gz HNNJBSXUQHDQSU-LBPRGKRZSA-N 1 0 396.336 2.680 20 0 GFADRO CS(=O)(=O)c1ccc(C[NH2+]C[C@H](O)CC(F)(F)F)cc1C(F)(F)F ZINC000567700012 564384462 /nfs/dbraw/zinc/38/44/62/564384462.db2.gz CFOPIGBQPFGIRR-SECBINFHSA-N 1 0 379.322 2.512 20 0 GFADRO C[C@@H]([NH2+]C[C@@H]1CCCCS1)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000544383720 564385148 /nfs/dbraw/zinc/38/51/48/564385148.db2.gz GNBNPZXKVARRRX-WBVHZDCISA-N 1 0 384.567 2.644 20 0 GFADRO COC(=O)[C@@H](c1cc(Cl)cc(Cl)c1)N(C)C1CC[NH+](CCO)CC1 ZINC000477758794 564386650 /nfs/dbraw/zinc/38/66/50/564386650.db2.gz IHUJWQRDQIEAFW-MRXNPFEDSA-N 1 0 375.296 2.596 20 0 GFADRO COc1cnccc1[C@@H](C)NC(=O)[C@](C)([NH3+])c1ccc(Br)cc1 ZINC000567824725 564390671 /nfs/dbraw/zinc/39/06/71/564390671.db2.gz BMAOHCAQBBHYLR-PIGZYNQJSA-N 1 0 378.270 2.904 20 0 GFADRO O=C(c1csc(I)c1)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000567814614 564390999 /nfs/dbraw/zinc/39/09/99/564390999.db2.gz VSGFSTIOZSXHOW-MNOVXSKESA-N 1 0 390.290 2.814 20 0 GFADRO Cc1cc([C@H](C)[NH2+]C2CCN(S(C)(=O)=O)CC2)sc1Br ZINC000512119881 564392567 /nfs/dbraw/zinc/39/25/67/564392567.db2.gz DGCSXWSMKIRBIB-JTQLQIEISA-N 1 0 381.361 2.894 20 0 GFADRO O=S(=O)(NCCC[C@H]1CCC[NH2+]1)c1cc(Br)ccc1Cl ZINC000567862086 564392935 /nfs/dbraw/zinc/39/29/35/564392935.db2.gz KRRZHODFONEFQF-LLVKDONJSA-N 1 0 381.723 2.913 20 0 GFADRO C[C@@H]([NH3+])C[C@@H](C)NS(=O)(=O)c1ccc(Br)c(C(F)(F)F)c1 ZINC000567859542 564392989 /nfs/dbraw/zinc/39/29/89/564392989.db2.gz GQHPQVCNINZJNE-HTQZYQBOSA-N 1 0 389.237 2.872 20 0 GFADRO C[C@H](c1cccc(Br)c1)[N@@H+]1CCC[C@@](O)(C(=O)N2CCCC2)C1 ZINC000452101805 564393222 /nfs/dbraw/zinc/39/32/22/564393222.db2.gz SZJMINRVEXZXPA-KDOFPFPSSA-N 1 0 381.314 2.959 20 0 GFADRO C[C@@H]1CSC[C@H]1[NH2+]CC(=O)NC[C@H](c1ccccc1Cl)N1CCCC1 ZINC000512151441 564393433 /nfs/dbraw/zinc/39/34/33/564393433.db2.gz YLZUNDGBAUEXTB-ZTFGCOKTSA-N 1 0 381.973 2.934 20 0 GFADRO C[NH2+][C@@H](CC(C)(C)C)C(=O)N[C@H](C(=O)OC)c1ccc(Br)cc1 ZINC000567890389 564394613 /nfs/dbraw/zinc/39/46/13/564394613.db2.gz CGNHWFUGNLPYHH-KBPBESRZSA-N 1 0 385.302 2.804 20 0 GFADRO Cc1cc(F)c(Br)cc1S(=O)(=O)NCC(C)(C)C[NH+](C)C ZINC000478143220 564395803 /nfs/dbraw/zinc/39/58/03/564395803.db2.gz LJXYDZXILSZLGC-UHFFFAOYSA-N 1 0 381.311 2.763 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)[C@@H]1CCCCC[NH2+]1 ZINC000567900228 564395976 /nfs/dbraw/zinc/39/59/76/564395976.db2.gz IXUDKEGWXVWPHL-HNNXBMFYSA-N 1 0 382.302 2.687 20 0 GFADRO COc1ccc(Br)cc1C(=O)CCC(=O)NCCC[NH2+]C1CC1 ZINC000567922508 564396447 /nfs/dbraw/zinc/39/64/47/564396447.db2.gz HEDMSYWJLBYEBM-UHFFFAOYSA-N 1 0 383.286 2.679 20 0 GFADRO CCC[C@]1([NH2+]CC(=O)Nc2cccc(I)c2)CCOC1 ZINC000512271858 564397022 /nfs/dbraw/zinc/39/70/22/564397022.db2.gz WGWWGEQANNXHAT-HNNXBMFYSA-N 1 0 388.249 2.779 20 0 GFADRO O=C(c1ccc(Br)cc1)N1CC[NH+](C[C@H]2CCCC[C@H]2O)CC1 ZINC000567989677 564398879 /nfs/dbraw/zinc/39/88/79/564398879.db2.gz NFXCCNZETWVTGQ-NVXWUHKLSA-N 1 0 381.314 2.758 20 0 GFADRO C[C@H](Oc1cccc(Cl)c1Cl)C(=O)N[C@@H](CO)C[NH+]1CCCCC1 ZINC000512374576 564399506 /nfs/dbraw/zinc/39/95/06/564399506.db2.gz GWKDNDKFUNOSQG-QWHCGFSZSA-N 1 0 375.296 2.724 20 0 GFADRO C[C@H](Cc1ccc(Br)cc1)C(=O)NC[C@H]1CCC[N@@H+]1CCCO ZINC000452349827 564407772 /nfs/dbraw/zinc/40/77/72/564407772.db2.gz CBVOTEHQICAXLF-RHSMWYFYSA-N 1 0 383.330 2.591 20 0 GFADRO O=C(Cc1cc(Cl)ccc1Br)NC[C@H]1CCC[N@H+]1CCCO ZINC000452360760 564409128 /nfs/dbraw/zinc/40/91/28/564409128.db2.gz JCGKGOMYDXKJMZ-CQSZACIVSA-N 1 0 389.721 2.608 20 0 GFADRO COC(=O)C[C@@](C)(NC(=O)C[N@@H+]1CC[C@@H](C)C1)c1ccc(Br)cc1 ZINC000568205484 564409408 /nfs/dbraw/zinc/40/94/08/564409408.db2.gz PEDLSFQGNSVWFD-FZKQIMNGSA-N 1 0 397.313 2.685 20 0 GFADRO COc1cc(Br)ccc1[C@H](C)NC(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000568232863 564410111 /nfs/dbraw/zinc/41/01/11/564410111.db2.gz ONGYFYVQOFGATI-RWMBFGLXSA-N 1 0 382.302 2.770 20 0 GFADRO O=C(NC[C@H]1CCC[N@H+]1CCCO)c1ccc(Br)c(Cl)c1 ZINC000452374161 564410209 /nfs/dbraw/zinc/41/02/09/564410209.db2.gz WKSNMIABWYXQOU-GFCCVEGCSA-N 1 0 375.694 2.679 20 0 GFADRO C[C@@H](Oc1ccc(Cl)c(Cl)c1)C(=O)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000452378731 564411156 /nfs/dbraw/zinc/41/11/56/564411156.db2.gz XOJXCOKDVZCWAN-CHWSQXEVSA-N 1 0 375.296 2.724 20 0 GFADRO O[C@H](COc1ccc(Br)cc1)C[N@@H+]1CC[C@@H](COC(F)F)C1 ZINC000512805071 564411472 /nfs/dbraw/zinc/41/14/72/564411472.db2.gz ALUWFCRZSFJLMG-YPMHNXCESA-N 1 0 380.229 2.750 20 0 GFADRO O[C@H](COc1ccc(Br)cc1)C[N@@H+]1CC[C@H](COC(F)F)C1 ZINC000512805068 564411872 /nfs/dbraw/zinc/41/18/72/564411872.db2.gz ALUWFCRZSFJLMG-AAEUAGOBSA-N 1 0 380.229 2.750 20 0 GFADRO OCC[C@H]([NH2+]C1CCN(c2cnccn2)CC1)c1ccccc1Br ZINC000545191954 564412306 /nfs/dbraw/zinc/41/23/06/564412306.db2.gz IGEPNFUSELNBIO-KRWDZBQOSA-N 1 0 391.313 2.921 20 0 GFADRO C[C@@H](Oc1ccc(Cl)c(Cl)c1)C(=O)NC[C@@H]1CCCC[N@@H+]1CCO ZINC000452396182 564412791 /nfs/dbraw/zinc/41/27/91/564412791.db2.gz XYDCUJLVDBFCFY-OLZOCXBDSA-N 1 0 375.296 2.724 20 0 GFADRO CS(=O)(=O)N[C@@H]1CCCC[C@H]1C[NH2+]Cc1ccc(F)c(Br)c1 ZINC000512869293 564414388 /nfs/dbraw/zinc/41/43/88/564414388.db2.gz QANDAHRDOVWLTE-SWLSCSKDSA-N 1 0 393.322 2.786 20 0 GFADRO Cc1ccc(C[NH2+]CCCNS(=O)(=O)c2ccccc2Br)o1 ZINC000512885448 564415225 /nfs/dbraw/zinc/41/52/25/564415225.db2.gz PSOFEGQNKCPRBA-UHFFFAOYSA-N 1 0 387.299 2.809 20 0 GFADRO C[N@H+](Cc1ccccc1)[C@@H](CNS(=O)(=O)c1cncc(Cl)c1)C1CC1 ZINC000478778891 564415701 /nfs/dbraw/zinc/41/57/01/564415701.db2.gz GPDPYYOGKKBZBD-SFHVURJKSA-N 1 0 379.913 2.924 20 0 GFADRO Cc1cc(Br)cc(C)c1N1CCC[C@H]([NH2+]Cc2cnnn2C)C1 ZINC000512983728 564416844 /nfs/dbraw/zinc/41/68/44/564416844.db2.gz VXDPAWQYNCLOAQ-HNNXBMFYSA-N 1 0 378.318 2.953 20 0 GFADRO COc1ccc(Br)cc1C[NH2+]C[C@H](N1CCOCC1)C(F)(F)F ZINC000512972418 564416966 /nfs/dbraw/zinc/41/69/66/564416966.db2.gz SJFBBZBYBFNGBK-AWEZNQCLSA-N 1 0 397.235 2.810 20 0 GFADRO Cc1nc(COc2ccc(C[NH2+]CCn3cc(Br)cn3)cc2)no1 ZINC000513001788 564417802 /nfs/dbraw/zinc/41/78/02/564417802.db2.gz NFHXWZKBPLEFEA-UHFFFAOYSA-N 1 0 392.257 2.706 20 0 GFADRO Cc1cc(C[NH2+]C[C@H]2CCCCN2S(C)(=O)=O)sc1Br ZINC000513012473 564417939 /nfs/dbraw/zinc/41/79/39/564417939.db2.gz QFJUWAFLSYELHM-LLVKDONJSA-N 1 0 381.361 2.723 20 0 GFADRO Cc1ccc(Br)c(S(=O)(=O)NCC[NH2+][C@H]2CC[C@H](C)C2)c1 ZINC000513050367 564419087 /nfs/dbraw/zinc/41/90/87/564419087.db2.gz FUKKEZYHOPDALY-AAEUAGOBSA-N 1 0 375.332 2.814 20 0 GFADRO Cc1ccc(Br)c(S(=O)(=O)NCC[NH2+]Cc2ccsc2)c1 ZINC000513050445 564419144 /nfs/dbraw/zinc/41/91/44/564419144.db2.gz GGMHHSAAWDOKBF-UHFFFAOYSA-N 1 0 389.340 2.887 20 0 GFADRO C[C@H](Cc1ccc(F)cc1Br)[NH2+]CC1CCS(=O)(=O)CC1 ZINC000568438858 564419392 /nfs/dbraw/zinc/41/93/92/564419392.db2.gz NIXMCKUBRUXMQR-LLVKDONJSA-N 1 0 378.307 2.934 20 0 GFADRO Cc1ccc(C[NH2+][C@@H]2CCCN(S(=O)(=O)C3CC3)C2)cc1Br ZINC000513091389 564420142 /nfs/dbraw/zinc/42/01/42/564420142.db2.gz ZXAJXJVZKZOMCM-CQSZACIVSA-N 1 0 387.343 2.804 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000478970224 564420811 /nfs/dbraw/zinc/42/08/11/564420811.db2.gz ZBWUKMFYEBOLMR-CQSZACIVSA-N 1 0 382.302 2.503 20 0 GFADRO Cc1cccc(CN(CC[NH+](C)C)C(=O)c2nn(C)cc2Br)c1 ZINC000568488697 564420993 /nfs/dbraw/zinc/42/09/93/564420993.db2.gz ZPSFIOIARAINCK-UHFFFAOYSA-N 1 0 379.302 2.695 20 0 GFADRO C[C@H]1CC[N@H+](CC(=O)Nc2cc(Br)ccc2N2CCOCC2)C1 ZINC000568650380 564428577 /nfs/dbraw/zinc/42/85/77/564428577.db2.gz OONBHOXPMYYSSL-ZDUSSCGKSA-N 1 0 382.302 2.566 20 0 GFADRO COc1nc(N2CC[NH+](Cc3cccc(C)c3)CC2)ncc1Br ZINC000513392224 564428779 /nfs/dbraw/zinc/42/87/79/564428779.db2.gz NDSRIZUZTAAREF-UHFFFAOYSA-N 1 0 377.286 2.878 20 0 GFADRO CCN(CCC[NH+]1CCCC1)C(=O)C(=O)NCc1ccc(Cl)cc1Cl ZINC000568667883 564429636 /nfs/dbraw/zinc/42/96/36/564429636.db2.gz VCJBGFGXLWRQRY-UHFFFAOYSA-N 1 0 386.323 2.944 20 0 GFADRO C[C@H](Sc1ccnc2cc(Cl)ccc21)C(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC000545862098 564434454 /nfs/dbraw/zinc/43/44/54/564434454.db2.gz XSLYNGQQUODDNM-KPZWWZAWSA-N 1 0 379.913 2.552 20 0 GFADRO CCc1ncc(S(=O)(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)s1 ZINC000545891079 564435756 /nfs/dbraw/zinc/43/57/56/564435756.db2.gz ARZZEKMQQBSOHF-ZDUSSCGKSA-N 1 0 385.580 2.958 20 0 GFADRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)Nc1ccc(Cl)cc1OC(F)F ZINC000545875516 564435778 /nfs/dbraw/zinc/43/57/78/564435778.db2.gz PDGHIBPQWVVFHV-SNVBAGLBSA-N 1 0 377.819 2.726 20 0 GFADRO C[C@@H]([NH2+]CC1(CO)CCCC1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000479433565 564439750 /nfs/dbraw/zinc/43/97/50/564439750.db2.gz ABPWBXQEUSUYBC-SNVBAGLBSA-N 1 0 381.325 2.844 20 0 GFADRO C[C@H](N[C@@H]1CCC[N@H+](C)[C@@H]1C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000479458508 564440770 /nfs/dbraw/zinc/44/07/70/564440770.db2.gz VLNRPTBDHLODSX-IMSIIYSGSA-N 1 0 380.341 2.774 20 0 GFADRO CC[N@H+](CCC(=O)N1CCN(C)CC1)Cc1cc(Br)ccc1F ZINC000513881880 564441814 /nfs/dbraw/zinc/44/18/14/564441814.db2.gz XMMORPORHXWHQA-UHFFFAOYSA-N 1 0 386.309 2.574 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCN(c4ccc(Cl)c(Cl)c4)C3=O)C[C@@H]21 ZINC000453035727 564443768 /nfs/dbraw/zinc/44/37/68/564443768.db2.gz NARYBQGBJCFRBX-KFNAQCHYSA-N 1 0 382.291 2.509 20 0 GFADRO C[C@H]([C@H]1Cc2ccccc2O1)[N@H+](C)Cc1cc(Cl)cc(S(N)(=O)=O)c1 ZINC000569007424 564445433 /nfs/dbraw/zinc/44/54/33/564445433.db2.gz JKAKSRFNVGTNRH-KZULUSFZSA-N 1 0 380.897 2.811 20 0 GFADRO COCC[C@@](C)(O)C[NH2+][C@H](C)c1ccc(F)c(I)c1 ZINC000453110636 564446733 /nfs/dbraw/zinc/44/67/33/564446733.db2.gz CRLZQIUXNSAGPR-QMTHXVAHSA-N 1 0 381.229 2.868 20 0 GFADRO CCOC(=O)[C@H](C)[C@H](C)[NH2+]CCS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000514241553 564447782 /nfs/dbraw/zinc/44/77/82/564447782.db2.gz LEKCHWYRLMDPGV-MNOVXSKESA-N 1 0 382.309 2.944 20 0 GFADRO CC[C@H](Cc1ccccc1Br)[N@H+](C)CCC(=O)N1CCN(C)CC1 ZINC000514225347 564448326 /nfs/dbraw/zinc/44/83/26/564448326.db2.gz NEJYBXQYHVSPOU-QGZVFWFLSA-N 1 0 396.373 2.866 20 0 GFADRO CC1(CNC(=O)Nc2ccnn2-c2ccc(Br)cn2)CC[NH2+]CC1 ZINC000569091134 564449044 /nfs/dbraw/zinc/44/90/44/564449044.db2.gz LRQMDZWJEKPHJJ-UHFFFAOYSA-N 1 0 393.289 2.541 20 0 GFADRO C[C@H]([NH2+]C[C@H]1CC[C@@H](CO)O1)c1ccc(F)c(I)c1 ZINC000453232181 564449828 /nfs/dbraw/zinc/44/98/28/564449828.db2.gz HDZNVBVODNYDSI-WCQGTBRESA-N 1 0 379.213 2.621 20 0 GFADRO C[C@@H](NC(=O)CC[NH2+]C1CC1)c1nc(-c2ccc(Br)cc2)no1 ZINC000569115921 564450179 /nfs/dbraw/zinc/45/01/79/564450179.db2.gz AJZRSJLYEJCWHN-SNVBAGLBSA-N 1 0 379.258 2.818 20 0 GFADRO CC[C@H](Cc1ccccc1Br)N(C)C(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000479778348 564450273 /nfs/dbraw/zinc/45/02/73/564450273.db2.gz WYLGHGUILUUEIC-AEFFLSMTSA-N 1 0 394.357 2.619 20 0 GFADRO CC(C)(CNC(=O)C(=O)NCC1CC[NH2+]CC1)c1ccc(Cl)c(Cl)c1 ZINC000514591818 564450678 /nfs/dbraw/zinc/45/06/78/564450678.db2.gz BIGJUOQOEOXAHT-UHFFFAOYSA-N 1 0 386.323 2.503 20 0 GFADRO COC[C@@H]([NH2+]CCn1cc(Br)ccc1=O)c1ccc(F)c(F)c1 ZINC000453242724 564450993 /nfs/dbraw/zinc/45/09/93/564450993.db2.gz FSWQAQRHFNBWRM-OAHLLOKOSA-N 1 0 387.224 2.866 20 0 GFADRO C[C@@H]([NH2+]CCn1cc(Br)ccc1=O)c1ccc(C(=O)N(C)C)cc1 ZINC000453245754 564451169 /nfs/dbraw/zinc/45/11/69/564451169.db2.gz IOAIKWKGSRDVEJ-CYBMUJFWSA-N 1 0 392.297 2.663 20 0 GFADRO CC[C@H](CNS(C)(=O)=O)[NH2+][C@@H]1C[C@@H](C)c2c1cccc2Br ZINC000453283228 564451663 /nfs/dbraw/zinc/45/16/63/564451663.db2.gz MJLFGSDOVNUKLQ-JTNHKYCSSA-N 1 0 375.332 2.915 20 0 GFADRO O[C@H](C[NH2+][C@@H]1CCN(C2CC2)C1)COc1ccc(Cl)cc1Br ZINC000569229233 564454443 /nfs/dbraw/zinc/45/44/43/564454443.db2.gz LYVPKYHNIYPLPR-TZMCWYRMSA-N 1 0 389.721 2.669 20 0 GFADRO C[N@@H+](Cc1ccc(Br)c(F)c1)C[C@H](O)COC[C@H]1CCCO1 ZINC000514703655 564454910 /nfs/dbraw/zinc/45/49/10/564454910.db2.gz NMCZRDRPWGFMCD-UONOGXRCSA-N 1 0 376.266 2.577 20 0 GFADRO COc1ccc(C(=O)NCC[NH2+][C@@H](C)c2ccc(Br)cn2)cc1 ZINC000569292079 564457010 /nfs/dbraw/zinc/45/70/10/564457010.db2.gz UYURFMWWMZJFAV-LBPRGKRZSA-N 1 0 378.270 2.933 20 0 GFADRO C[C@@]1(C[NH2+]C2CCN(Cc3ccccc3Br)CC2)CCC(=O)N1 ZINC000453399592 564457084 /nfs/dbraw/zinc/45/70/84/564457084.db2.gz ALYRNMASQWFHEX-SFHVURJKSA-N 1 0 380.330 2.672 20 0 GFADRO Cc1cc(Br)c(C[NH2+][C@@H](C(=O)N2CCOCC2)C(C)C)s1 ZINC000453571548 564458101 /nfs/dbraw/zinc/45/81/01/564458101.db2.gz MPGPBKNQJTUZPG-CQSZACIVSA-N 1 0 375.332 2.792 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)c(Br)c1 ZINC000514847635 564459872 /nfs/dbraw/zinc/45/98/72/564459872.db2.gz HUORBPOMASWBNE-SFHVURJKSA-N 1 0 394.313 2.607 20 0 GFADRO Ic1ccc2ncnc(NC[C@@H]3CC[N@@H+](C4CC4)C3)c2c1 ZINC000569519960 564466678 /nfs/dbraw/zinc/46/66/78/564466678.db2.gz RJUNWWNMOMXULZ-NSHDSACASA-N 1 0 394.260 3.131 20 0 GFADRO COc1ccc(S(=O)(=O)NCC[NH+](C(C)C)C(C)C)c(Br)c1 ZINC000480292541 564467676 /nfs/dbraw/zinc/46/76/76/564467676.db2.gz VDUZRMAVSDSETA-UHFFFAOYSA-N 1 0 393.347 2.855 20 0 GFADRO C[NH+](C)[C@@]1(CNC(=O)c2csc(I)c2)CCSC1 ZINC000480365787 564470494 /nfs/dbraw/zinc/47/04/94/564470494.db2.gz QEFKCEXICTZQNT-GFCCVEGCSA-N 1 0 396.319 2.520 20 0 GFADRO Cc1cc(Br)cn2cc(CNC(=O)N3CC[N@@H+](C)CC[C@H]3C)nc12 ZINC000546824550 564469788 /nfs/dbraw/zinc/46/97/88/564469788.db2.gz AYDNMOVETBBMBT-CYBMUJFWSA-N 1 0 394.317 2.641 20 0 GFADRO CCc1n[nH]c(C(=O)N[C@H](C[NH+](C)C)c2ccc(F)cc2)c1Br ZINC000569584766 564470292 /nfs/dbraw/zinc/47/02/92/564470292.db2.gz HVVWHLNPDRSSMI-CYBMUJFWSA-N 1 0 383.265 2.906 20 0 GFADRO CC(C)[NH2+]CCCNC(=O)N[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000515223098 564472545 /nfs/dbraw/zinc/47/25/45/564472545.db2.gz CROSEFJXDLTSPX-OAHLLOKOSA-N 1 0 383.334 2.715 20 0 GFADRO O[C@@H](C[NH2+][C@@H]1CCN(CC(F)(F)F)C1)COc1c(Cl)cccc1Cl ZINC000515234194 564473181 /nfs/dbraw/zinc/47/31/81/564473181.db2.gz BCFOORIWOOOAJJ-MNOVXSKESA-N 1 0 387.229 2.959 20 0 GFADRO C[NH2+][C@H]1CCCN(C(=O)Nc2ccc(-c3ccc(Br)s3)nn2)C1 ZINC000569674879 564474147 /nfs/dbraw/zinc/47/41/47/564474147.db2.gz WXOJDQMXBIMOCN-JTQLQIEISA-N 1 0 396.314 3.183 20 0 GFADRO Cc1c(Br)c2ccccc2n1CC(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000569703347 564474765 /nfs/dbraw/zinc/47/47/65/564474765.db2.gz WNZYDLBOKPIKKU-UKRRQHHQSA-N 1 0 376.298 2.923 20 0 GFADRO Cn1ccnc1Sc1ncc(C(=O)N2CCCC[C@H]2CC[NH3+])cc1Cl ZINC000569697562 564474841 /nfs/dbraw/zinc/47/48/41/564474841.db2.gz SQDOVPVXYJTYPP-ZDUSSCGKSA-N 1 0 379.917 2.963 20 0 GFADRO CC(C)[N@H+](C)C[C@@H](C)NC(=O)c1cccc(F)c1I ZINC000569753368 564477116 /nfs/dbraw/zinc/47/71/16/564477116.db2.gz BUQLJJKPOBWWEI-SNVBAGLBSA-N 1 0 378.229 2.889 20 0 GFADRO OC[C@@H](C[NH2+]C[C@H](O)COc1ccccc1)Cc1ccccc1Br ZINC000515383592 564477587 /nfs/dbraw/zinc/47/75/87/564477587.db2.gz NXNUIZRRDYYPTD-WBVHZDCISA-N 1 0 394.309 2.630 20 0 GFADRO CCOc1cc(CN2CC[NH2+]C[C@@](C)(F)C2)cc(Br)c1OC ZINC000569811016 564479588 /nfs/dbraw/zinc/47/95/88/564479588.db2.gz RYIYUOIAOZTEJX-MRXNPFEDSA-N 1 0 375.282 2.990 20 0 GFADRO Ic1cccc2ncnc(NCCC[NH+]3CCCC3)c12 ZINC000547278705 564482325 /nfs/dbraw/zinc/48/23/25/564482325.db2.gz CKHMIQQZPUHRJA-UHFFFAOYSA-N 1 0 382.249 3.132 20 0 GFADRO Cc1cccc2c1OC[C@@H]([NH2+][C@@H](C(N)=O)c1cccc(Br)c1)C2 ZINC000569895418 564483321 /nfs/dbraw/zinc/48/33/21/564483321.db2.gz NWULMZQAJLYSMZ-JKSUJKDBSA-N 1 0 375.266 2.877 20 0 GFADRO Cn1nccc1[C@@H]1C[C@@H]([NH2+]Cc2cn3ccc(Br)cc3n2)CCO1 ZINC000515769927 564486549 /nfs/dbraw/zinc/48/65/49/564486549.db2.gz OAOHDTGNOMEVTF-BBRMVZONSA-N 1 0 390.285 2.840 20 0 GFADRO C[C@H](CCc1ccc(Br)cc1)NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC000515866728 564489421 /nfs/dbraw/zinc/48/94/21/564489421.db2.gz JYPPBMLLLCRDBB-CQSZACIVSA-N 1 0 393.329 2.958 20 0 GFADRO CN(CC[N@H+](C)C1CC1)C(=O)c1cccc(F)c1I ZINC000547463850 564490032 /nfs/dbraw/zinc/49/00/32/564490032.db2.gz ZATRTNJLARUUKH-UHFFFAOYSA-N 1 0 376.213 2.597 20 0 GFADRO O=C(c1c(O)cnc2c(Br)cccc21)N1CC[NH+]2CCC1CC2 ZINC000570092832 564491123 /nfs/dbraw/zinc/49/11/23/564491123.db2.gz JZMAYLQAQAMGRW-UHFFFAOYSA-N 1 0 376.254 2.623 20 0 GFADRO CS[C@@H]1CN(C(=O)CCC(=O)c2ccc(Cl)cn2)C[C@H]1[NH+]1CCCC1 ZINC000547536931 564492732 /nfs/dbraw/zinc/49/27/32/564492732.db2.gz YEGXOYAMCJWDQN-NVXWUHKLSA-N 1 0 381.929 2.736 20 0 GFADRO COCCOc1ccc(Br)cc1NC(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000480921955 564495765 /nfs/dbraw/zinc/49/57/65/564495765.db2.gz RNMPMLMYKJZPTO-ZDUSSCGKSA-N 1 0 386.290 2.690 20 0 GFADRO C[N@H+](CCCCNC(=O)C(=O)Nc1c(F)cccc1Br)C1CC1 ZINC000454089903 564497077 /nfs/dbraw/zinc/49/70/77/564497077.db2.gz BAEHAPBLGMPPPT-UHFFFAOYSA-N 1 0 386.265 2.517 20 0 GFADRO C[N@H+](CCCCNC(=O)C(=O)Nc1cc(F)ccc1Br)C1CC1 ZINC000454113010 564498855 /nfs/dbraw/zinc/49/88/55/564498855.db2.gz UYECRUBPWAXAPI-UHFFFAOYSA-N 1 0 386.265 2.517 20 0 GFADRO COc1ccc(Br)cc1C(=O)CCC(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000570279014 564499062 /nfs/dbraw/zinc/49/90/62/564499062.db2.gz XFJBDLMYQZQAFO-SFHVURJKSA-N 1 0 397.313 2.927 20 0 GFADRO Cc1cc(NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C(C)C)C2)ccc1Br ZINC000454118254 564499392 /nfs/dbraw/zinc/49/93/92/564499392.db2.gz YOORBCHBEYAIIM-AWEZNQCLSA-N 1 0 382.302 2.637 20 0 GFADRO Cc1cc(Br)cc(NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C(C)C)C2)c1 ZINC000454120228 564499468 /nfs/dbraw/zinc/49/94/68/564499468.db2.gz ZWPPKJDPZXAKAE-OAHLLOKOSA-N 1 0 382.302 2.637 20 0 GFADRO O=C(NCC[C@H]1CC[NH2+]C1)Nc1ccc(I)cc1F ZINC000570294906 564500197 /nfs/dbraw/zinc/50/01/97/564500197.db2.gz XKWSXXUVXVVQKB-SECBINFHSA-N 1 0 377.201 2.551 20 0 GFADRO C[C@@H]([NH2+]Cc1cc(Cl)cc(S(N)(=O)=O)c1)c1ccc([S@@](C)=O)cc1 ZINC000570282565 564500253 /nfs/dbraw/zinc/50/02/53/564500253.db2.gz CDWIZNONDVCVKC-QVQLBTGDSA-N 1 0 386.926 2.576 20 0 GFADRO COC[C@H](C)OC[C@@H](O)C[NH2+][C@@H](C)Cc1ccc(F)c(Br)c1 ZINC000570391345 564503908 /nfs/dbraw/zinc/50/39/08/564503908.db2.gz XYHHWZSUJSAWHU-OBJOEFQTSA-N 1 0 378.282 2.521 20 0 GFADRO O=C(NCC1([NH+]2CCSCC2)CCCC1)N1CC[C@@H](COC(F)F)C1 ZINC000481149018 564504377 /nfs/dbraw/zinc/50/43/77/564504377.db2.gz XQINLGPHCOXBJE-CQSZACIVSA-N 1 0 377.501 2.619 20 0 GFADRO Cc1cc(Br)cc2cc(C(=O)NC[C@@]3(O)C[NH+]4CCC3CC4)oc21 ZINC000516590136 564505789 /nfs/dbraw/zinc/50/57/89/564505789.db2.gz RFDDFBYPNTXZTO-GOSISDBHSA-N 1 0 393.281 2.690 20 0 GFADRO COc1ccc(S(=O)(=O)NCC[N@@H+]2CCCC[C@H]2C)cc1Br ZINC000516607076 564507128 /nfs/dbraw/zinc/50/71/28/564507128.db2.gz VZSQJOAYBOBAJR-GFCCVEGCSA-N 1 0 391.331 2.610 20 0 GFADRO CC(C)(C)[N@@H+]1CCCN(C(=O)CNC(=O)c2ccc(Br)cc2)CC1 ZINC000547774003 564510556 /nfs/dbraw/zinc/51/05/56/564510556.db2.gz HMEBTVOYRCVBEJ-UHFFFAOYSA-N 1 0 396.329 2.512 20 0 GFADRO CC(=O)Nc1cccc(C[NH2+]C[C@@H](O)COc2cccc(Br)c2)c1 ZINC000516761373 564510765 /nfs/dbraw/zinc/51/07/65/564510765.db2.gz BBTMEMAWLWKINI-QGZVFWFLSA-N 1 0 393.281 2.937 20 0 GFADRO Cc1ccc([C@H](CNC(=O)NCc2nn(C)cc2Br)[NH+](C)C)cc1 ZINC000454466114 564512085 /nfs/dbraw/zinc/51/20/85/564512085.db2.gz XTTHFHUSAWBPBE-INIZCTEOSA-N 1 0 394.317 2.593 20 0 GFADRO Cc1cc(Br)cn2c(C[NH2+][C@H]3CCN(C(C)(C)C)C3=O)cnc12 ZINC000570631799 564515626 /nfs/dbraw/zinc/51/56/26/564515626.db2.gz PFUWBYSXWLNUND-AWEZNQCLSA-N 1 0 379.302 2.894 20 0 GFADRO COc1cc2c(cc1Cl)CN(C(=O)NC[C@@]1([NH+](C)C)CCSC1)CC2 ZINC000454614806 564516141 /nfs/dbraw/zinc/51/61/41/564516141.db2.gz UZRBMACWFDUULQ-SFHVURJKSA-N 1 0 383.945 2.854 20 0 GFADRO COCC[N@H+](C)CCCNC(=O)N[C@H](C)c1ccc(F)c(Br)c1 ZINC000454612190 564516359 /nfs/dbraw/zinc/51/63/59/564516359.db2.gz RSNPRPPDHFADCQ-GFCCVEGCSA-N 1 0 390.297 2.917 20 0 GFADRO [NH3+][C@H]1CCCO[C@@H]1C1CCN(Cc2cc3c(c(Br)c2)OCO3)CC1 ZINC000570692428 564517431 /nfs/dbraw/zinc/51/74/31/564517431.db2.gz GMKVIMGPGZAMHC-DOTOQJQBSA-N 1 0 397.313 2.896 20 0 GFADRO C[N@@H+]1CC[C@@H](CNC(=O)Nc2cc(F)c(I)c(F)c2)C1 ZINC000454659267 564518248 /nfs/dbraw/zinc/51/82/48/564518248.db2.gz LVSVHUSIDLPEBX-QMMMGPOBSA-N 1 0 395.191 2.643 20 0 GFADRO CC[C@H]([NH2+][C@@H]1C[C@@H](C)N(C2CC2)C1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000481649470 564518720 /nfs/dbraw/zinc/51/87/20/564518720.db2.gz FIKUOCJMVBQUDM-MRRJBJDNSA-N 1 0 385.961 2.914 20 0 GFADRO CCc1nn(C)cc1C[NH2+][C@@H](CC)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000481655845 564519160 /nfs/dbraw/zinc/51/91/60/564519160.db2.gz FOUSBZLYNPRMPV-HNNXBMFYSA-N 1 0 384.933 2.785 20 0 GFADRO CCCC[N@H+](C)C[C@H](C)NC(=O)C(=O)Nc1cc(C)ccc1Br ZINC000516994650 564520692 /nfs/dbraw/zinc/52/06/92/564520692.db2.gz NDIFHKABSSTKNU-ZDUSSCGKSA-N 1 0 384.318 2.933 20 0 GFADRO O=C(CC[NH2+]C[C@@H](O)COc1ccc(Br)cc1)Nc1ccccc1 ZINC000570837640 564523800 /nfs/dbraw/zinc/52/38/00/564523800.db2.gz VTZWRDCWUIKXES-MRXNPFEDSA-N 1 0 393.281 2.807 20 0 GFADRO CN(C)S(=O)(=O)N1CCC[C@@H]([NH2+]Cc2cc(C(F)(F)F)ccc2Cl)C1 ZINC000570846054 564524250 /nfs/dbraw/zinc/52/42/50/564524250.db2.gz BNSWBEMZMICWSX-CYBMUJFWSA-N 1 0 399.866 2.719 20 0 GFADRO COCCC(C)(C)C[NH2+]CCS(=O)(=O)c1cccc(Br)c1 ZINC000517231734 564528450 /nfs/dbraw/zinc/52/84/50/564528450.db2.gz MEXLRCSTVVUBHC-UHFFFAOYSA-N 1 0 378.332 2.875 20 0 GFADRO C[C@H](CNC(=O)[C@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1)C[NH+](C)C ZINC000517252160 564529432 /nfs/dbraw/zinc/52/94/32/564529432.db2.gz LNXDKRDBSHPFMI-MLGOLLRUSA-N 1 0 386.323 2.912 20 0 GFADRO Cc1cc(NC(=O)C[NH2+][C@@H](C2CC2)[C@@]2(CO)CCCO2)ccc1Br ZINC000571057752 564534400 /nfs/dbraw/zinc/53/44/00/564534400.db2.gz BSIHNHGMJOHVEP-ROUUACIJSA-N 1 0 397.313 2.606 20 0 GFADRO CC(C)(C)N1C[C@@H]([NH2+]C[C@H](O)COc2c(Cl)cccc2Cl)CC1=O ZINC000571074108 564534454 /nfs/dbraw/zinc/53/44/54/564534454.db2.gz HHGSXENJLWKJQR-RYUDHWBXSA-N 1 0 375.296 2.722 20 0 GFADRO O=C(CC[NH2+]C[C@H](CO)c1cccnc1)Nc1cccc(Br)c1 ZINC000571088928 564535611 /nfs/dbraw/zinc/53/56/11/564535611.db2.gz WYWGRNFIUDNGAS-CQSZACIVSA-N 1 0 378.270 2.538 20 0 GFADRO C[NH+](C)CCOc1cnccc1CNC(=O)c1sccc1Br ZINC000571123145 564537023 /nfs/dbraw/zinc/53/70/23/564537023.db2.gz OIOMVHDVWXWVNJ-UHFFFAOYSA-N 1 0 384.299 2.776 20 0 GFADRO C[C@H](Cc1ccc(F)c(Br)c1)[NH2+]C1CCC2(CC1)NC(=O)NC2=O ZINC000517603948 564537629 /nfs/dbraw/zinc/53/76/29/564537629.db2.gz RDKXFNPWHKWQLP-MMODKWEGSA-N 1 0 398.276 2.630 20 0 GFADRO C[C@@H](NC(=O)CCNC(=O)[C@H]1CCC[NH2+]1)c1cc(F)c(Cl)cc1Cl ZINC000571160725 564537857 /nfs/dbraw/zinc/53/78/57/564537857.db2.gz UASXUWOGXBCXGD-YMTOWFKASA-N 1 0 376.259 2.568 20 0 GFADRO CCc1cnc(NC(=O)C(=O)NC[C@@H](c2ccc(Cl)cc2)[NH+](C)C)s1 ZINC000571141016 564538205 /nfs/dbraw/zinc/53/82/05/564538205.db2.gz PMFOKZAZLWSWAD-AWEZNQCLSA-N 1 0 380.901 2.717 20 0 GFADRO COc1ccc(CN2CCC[C@@H]([NH+]3CCOCC3)CC2)c(Br)c1O ZINC000571178859 564539439 /nfs/dbraw/zinc/53/94/39/564539439.db2.gz RXRSBVDQTLAJNJ-OAHLLOKOSA-N 1 0 399.329 2.850 20 0 GFADRO CN(C(=O)c1ccn(-c2cccc(Br)c2)n1)[C@H]1C[NH+]2CCC1CC2 ZINC000517699701 564540056 /nfs/dbraw/zinc/54/00/56/564540056.db2.gz VUWZRJZUWGFMKR-KRWDZBQOSA-N 1 0 389.297 2.801 20 0 GFADRO C[N@@H+]1CCN(C[C@H](O)COc2ccc(Cl)cc2Br)CC1(C)C ZINC000517755161 564541107 /nfs/dbraw/zinc/54/11/07/564541107.db2.gz PFBIKCHFHVMLOX-ZDUSSCGKSA-N 1 0 391.737 2.868 20 0 GFADRO CC(C)[NH2+]C1(CO)CCN([C@H](C)C(=O)Nc2cccc(Br)c2)CC1 ZINC000517755040 564541376 /nfs/dbraw/zinc/54/13/76/564541376.db2.gz LGPFCCSRBAXWGH-CQSZACIVSA-N 1 0 398.345 2.601 20 0 GFADRO C[NH2+][C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2Br)C1 ZINC000517741890 564541459 /nfs/dbraw/zinc/54/14/59/564541459.db2.gz IARGDUKPWQKEGF-GFCCVEGCSA-N 1 0 381.723 2.616 20 0 GFADRO Ic1cccc2ncnc(N3CC[C@H]([NH+]4CCCC4)C3)c12 ZINC000571242655 564541748 /nfs/dbraw/zinc/54/17/48/564541748.db2.gz APTZTFSPHVTLPT-LBPRGKRZSA-N 1 0 394.260 2.909 20 0 GFADRO C[C@H]1C[C@@H](NC(=O)c2ccccc2-n2cc(Br)cn2)C[N@@H+]1C1CC1 ZINC000571273494 564543468 /nfs/dbraw/zinc/54/34/68/564543468.db2.gz RCPAXOUJSQHJKW-GXTWGEPZSA-N 1 0 389.297 2.990 20 0 GFADRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(Br)c3c(c2)OCCCO3)[C@@H]1OC ZINC000482536095 564544755 /nfs/dbraw/zinc/54/47/55/564544755.db2.gz PGAJCHZYFLPEMX-UNEWFSDZSA-N 1 0 386.286 2.892 20 0 GFADRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)CCc1ccc(Br)cc1 ZINC000482510522 564545009 /nfs/dbraw/zinc/54/50/09/564545009.db2.gz RDRLWDHWWIWBEH-KRWDZBQOSA-N 1 0 383.330 2.951 20 0 GFADRO O=C(NCc1cc2cc(Br)ccc2[nH]1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000571301177 564545976 /nfs/dbraw/zinc/54/59/76/564545976.db2.gz YMKZMGHRGSIROD-OAHLLOKOSA-N 1 0 377.286 2.966 20 0 GFADRO COCC[N@H+](C)C[C@@H](O)CN1CCC[C@H]1c1ccc(Br)c(F)c1 ZINC000518210994 564548513 /nfs/dbraw/zinc/54/85/13/564548513.db2.gz AXMLEFKJGQNQAK-PBHICJAKSA-N 1 0 389.309 2.664 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)N[C@H](CCO)c2ccccc2Br)C[N@@H+]1C1CC1 ZINC000518242949 564548609 /nfs/dbraw/zinc/54/86/09/564548609.db2.gz YIVNQWBTVJVIAO-IIYDPXPESA-N 1 0 396.329 2.797 20 0 GFADRO C[C@@H](CCCCO)[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000571403613 564550029 /nfs/dbraw/zinc/55/00/29/564550029.db2.gz MFHZQIBDYOSGMK-WCQYABFASA-N 1 0 380.710 2.983 20 0 GFADRO O=C(N[C@H](c1cncc(Br)c1)C1CC1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000518345875 564551551 /nfs/dbraw/zinc/55/15/51/564551551.db2.gz XEWDPUYRUOXRSZ-HOTGVXAUSA-N 1 0 379.302 2.831 20 0 GFADRO CC[NH+](CC)C[C@H](C)NC(=O)N(C)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000482923214 564553701 /nfs/dbraw/zinc/55/37/01/564553701.db2.gz WSJVLFDVTHVREF-SWLSCSKDSA-N 1 0 387.933 2.540 20 0 GFADRO O[C@@H](C[NH2+][C@@H]1CSc2ccc(Br)cc21)COC1CCOCC1 ZINC000571515890 564554149 /nfs/dbraw/zinc/55/41/49/564554149.db2.gz DHDYULIQVFDKKF-SWLSCSKDSA-N 1 0 388.327 2.742 20 0 GFADRO O=C1CCCCN1CCC[NH2+]C[C@H](O)COc1cc(Cl)ccc1Cl ZINC000571515991 564554472 /nfs/dbraw/zinc/55/44/72/564554472.db2.gz FYPKZFUGBQPNQY-AWEZNQCLSA-N 1 0 375.296 2.725 20 0 GFADRO CS(=O)(=O)CC1(C[NH2+][C@H](CO)c2ccc(Cl)cc2C(F)(F)F)CC1 ZINC000483262206 564561730 /nfs/dbraw/zinc/56/17/30/564561730.db2.gz WHONPQLNIRYAGW-CYBMUJFWSA-N 1 0 385.835 2.807 20 0 GFADRO C[C@@]1(C(N)=O)CC[N@H+](CC(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000483291716 564562595 /nfs/dbraw/zinc/56/25/95/564562595.db2.gz RHWQZXGKSKTOAM-MAUKXSAKSA-N 1 0 384.307 2.854 20 0 GFADRO COc1cc(Br)ccc1CNC(=O)Nc1ccnn1CC[NH+](C)C ZINC000455656657 564563907 /nfs/dbraw/zinc/56/39/07/564563907.db2.gz KNOMXXKAAZLKFM-UHFFFAOYSA-N 1 0 396.289 2.538 20 0 GFADRO Cc1ccc(F)c(Br)c1NC(=O)NCCC[N@@H+](C)CCN(C)C ZINC000455696237 564565544 /nfs/dbraw/zinc/56/55/44/564565544.db2.gz OWKKDQSVOJWBST-UHFFFAOYSA-N 1 0 389.313 2.902 20 0 GFADRO CC[C@H]1CN(C(=O)Nc2nc(CC(F)(F)F)cs2)CC[N@@H+]1C[C@H](C)O ZINC000455728256 564566714 /nfs/dbraw/zinc/56/67/14/564566714.db2.gz QXUVMUCRGOYNOB-JQWIXIFHSA-N 1 0 380.436 2.557 20 0 GFADRO O=C([C@H]1CCN(c2cc(Cl)ccc2Cl)C1=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000571803126 564567329 /nfs/dbraw/zinc/56/73/29/564567329.db2.gz SNOFBMVVFDFXBU-KBPBESRZSA-N 1 0 382.291 2.699 20 0 GFADRO COc1ccc(C)cc1C[NH2+]C[C@@H]1CCN(S(=O)(=O)c2cccs2)C1 ZINC000519011403 564567457 /nfs/dbraw/zinc/56/74/57/564567457.db2.gz VWOGQJMCSPHLBV-HNNXBMFYSA-N 1 0 380.535 2.866 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]CCOC(C)(C)C ZINC000519076414 564569635 /nfs/dbraw/zinc/56/96/35/564569635.db2.gz YVOBIQGJYOPBCI-LBPRGKRZSA-N 1 0 387.318 2.867 20 0 GFADRO COC1CC[NH+](C(C)(C)CNC(=O)Cc2ccc(Br)cc2)CC1 ZINC000519369730 564576053 /nfs/dbraw/zinc/57/60/53/564576053.db2.gz UGCFVXHYBMMHOH-UHFFFAOYSA-N 1 0 383.330 2.997 20 0 GFADRO CC[N@H+](CCNC(=O)C(=O)Nc1cc(Cl)c(Cl)cc1OC)C(C)C ZINC000483898625 564576984 /nfs/dbraw/zinc/57/69/84/564576984.db2.gz NGXKXOWBLKZVQX-UHFFFAOYSA-N 1 0 376.284 2.787 20 0 GFADRO Cc1cc(S(=O)(=O)N[C@H](C)[C@@H]2CCC[NH2+]C2)c(F)cc1Br ZINC000519399190 564577105 /nfs/dbraw/zinc/57/71/05/564577105.db2.gz AJVFNQSFMPWHIN-GHMZBOCLSA-N 1 0 379.295 2.563 20 0 GFADRO CN(C)c1cc(NC(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)ncc1Br ZINC000455868230 564577381 /nfs/dbraw/zinc/57/73/81/564577381.db2.gz QDEWVOMOELIMRY-NWDGAFQWSA-N 1 0 382.306 2.658 20 0 GFADRO Cn1cc(Br)c(C(=O)N[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)n1 ZINC000572005945 564577457 /nfs/dbraw/zinc/57/74/57/564577457.db2.gz UOMCWEXLEUUZNJ-KRWDZBQOSA-N 1 0 377.286 2.577 20 0 GFADRO CCC[N@H+](CC)C[C@H](C)NS(=O)(=O)Cc1ccccc1Br ZINC000572050755 564578927 /nfs/dbraw/zinc/57/89/27/564578927.db2.gz QVZWVTQAOAXNAZ-ZDUSSCGKSA-N 1 0 377.348 2.989 20 0 GFADRO COc1ccc(NC(=O)N[C@@H](C)C[C@@H](C)[NH3+])c(I)c1 ZINC000572038689 564578956 /nfs/dbraw/zinc/57/89/56/564578956.db2.gz NDVVZVWPFHSIBO-BDAKNGLRSA-N 1 0 377.226 2.547 20 0 GFADRO CCC[N@H+](CC)CCNC(=O)C(=O)Nc1c(F)ccc(C)c1Br ZINC000484029331 564580673 /nfs/dbraw/zinc/58/06/73/564580673.db2.gz HBXQYTPGYKMWIU-UHFFFAOYSA-N 1 0 388.281 2.683 20 0 GFADRO C[N@@H+]1CCC[C@H](CNC(=O)N[C@H]2CCN(c3cccc(Br)c3)C2)C1 ZINC000519577499 564581406 /nfs/dbraw/zinc/58/14/06/564581406.db2.gz RTFLXGVZBBWXJO-ZBFHGGJFSA-N 1 0 395.345 2.669 20 0 GFADRO Nc1ccc(CNC(=O)Nc2cc(Br)ccc2-n2cccn2)cn1 ZINC000548975560 564581920 /nfs/dbraw/zinc/58/19/20/564581920.db2.gz WNBRMILPMBWVNH-UHFFFAOYSA-N 1 0 387.241 2.934 20 0 GFADRO C[NH+](C)CCn1ccc(NC(=O)Nc2cc(Cl)cc(Br)c2)n1 ZINC000455969981 564582101 /nfs/dbraw/zinc/58/21/01/564582101.db2.gz LSLVCCCHUWFDKP-UHFFFAOYSA-N 1 0 386.681 3.505 20 0 GFADRO CC(C)(CC[NH2+]CCC(=O)Nc1cccc(C(F)(F)F)c1)S(C)(=O)=O ZINC000519597323 564583159 /nfs/dbraw/zinc/58/31/59/564583159.db2.gz XIVVPUDJKQFKJI-UHFFFAOYSA-N 1 0 380.432 2.837 20 0 GFADRO COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)NCC1(C)CC[NH+](C)CC1 ZINC000484243351 564583978 /nfs/dbraw/zinc/58/39/78/564583978.db2.gz DYEGGFSDWPOJEL-UHFFFAOYSA-N 1 0 388.295 2.789 20 0 GFADRO CN(CC[NH+]1CCCC1)C(=O)C(=O)Nc1cccc(Cl)c1Br ZINC000484241444 564584115 /nfs/dbraw/zinc/58/41/15/564584115.db2.gz ARZYAEOMCJKCQC-UHFFFAOYSA-N 1 0 388.693 2.595 20 0 GFADRO CC[NH+](CC)CC[C@@H](CO)NC(=O)[C@@H](C)Cc1ccc(Br)cc1 ZINC000572185790 564584397 /nfs/dbraw/zinc/58/43/97/564584397.db2.gz NILWOWWXTYCIRU-YOEHRIQHSA-N 1 0 385.346 2.837 20 0 GFADRO CC(C)(C)[C@@H](C[NH3+])NC(=O)Nc1ccc(I)cc1F ZINC000519780429 564590198 /nfs/dbraw/zinc/59/01/98/564590198.db2.gz RXLJGOVXSNUKJS-LLVKDONJSA-N 1 0 379.217 2.925 20 0 GFADRO C[NH2+]CCCC(=O)N1CCC(NC(=O)Nc2ccccc2Br)CC1 ZINC000572379537 564592514 /nfs/dbraw/zinc/59/25/14/564592514.db2.gz JHQQNEYTAYCPRC-UHFFFAOYSA-N 1 0 397.317 2.561 20 0 GFADRO CC[NH2+]CCCNC(=O)C(=O)NCC1(c2c(Cl)cccc2Cl)CCC1 ZINC000572381833 564592541 /nfs/dbraw/zinc/59/25/41/564592541.db2.gz JUSARHWWMAWPNI-UHFFFAOYSA-N 1 0 386.323 2.647 20 0 GFADRO CS[C@@H]1CN([C@@H]2CCN(c3ccccc3Cl)C2=O)C[C@@H]1[NH+]1CCCC1 ZINC000484631743 564592832 /nfs/dbraw/zinc/59/28/32/564592832.db2.gz JDKICUUWNIMSDS-FGTMMUONSA-N 1 0 379.957 2.957 20 0 GFADRO CC[C@H](C)[N@H+](CCO)C[C@H](O)COc1ccc(Cl)cc1Br ZINC000572390496 564593054 /nfs/dbraw/zinc/59/30/54/564593054.db2.gz KBQJKTPZDGVJEF-AAEUAGOBSA-N 1 0 380.710 2.935 20 0 GFADRO CS[C@@H]1CN(CCCS(=O)(=O)c2ccc(F)cc2)C[C@@H]1[NH+]1CCCC1 ZINC000484641670 564593835 /nfs/dbraw/zinc/59/38/35/564593835.db2.gz QTUIWPUJTFTBFP-ZWKOTPCHSA-N 1 0 386.558 2.501 20 0 GFADRO C[C@H]1C[N@H+](C)CCN1c1ccc(Br)cc1NC(=O)[C@H]1CCCOC1 ZINC000456363791 564602398 /nfs/dbraw/zinc/60/23/98/564602398.db2.gz FZHWUAWDJBYGAE-KBPBESRZSA-N 1 0 396.329 2.955 20 0 GFADRO CC(C)N(Cc1ccc(Br)cc1)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000572619701 564602640 /nfs/dbraw/zinc/60/26/40/564602640.db2.gz GTIXSAPJQTYYJI-INIZCTEOSA-N 1 0 384.318 2.748 20 0 GFADRO O=C(CC[NH2+]C1CC1)N1CCC(C(=O)Nc2ccccc2Br)CC1 ZINC000520428302 564604801 /nfs/dbraw/zinc/60/48/01/564604801.db2.gz QCEGMEKTFSRHGE-UHFFFAOYSA-N 1 0 394.313 2.768 20 0 GFADRO O=C(NCCc1nc(C(F)(F)F)cs1)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000572705460 564606561 /nfs/dbraw/zinc/60/65/61/564606561.db2.gz JFJPVHVNDYTWGL-RYUDHWBXSA-N 1 0 376.448 2.736 20 0 GFADRO CCOCCC[N@@H+]1CC[C@@H](NS(=O)(=O)c2cc(F)cc(Cl)c2)[C@@H](C)C1 ZINC000549815458 564606930 /nfs/dbraw/zinc/60/69/30/564606930.db2.gz QVKMMOODDMFNKM-SUMWQHHRSA-N 1 0 392.924 2.894 20 0 GFADRO CC[N@H+](CCNC(=O)[C@@]12CCC(=O)N1c1cc(Cl)ccc1S2)C1CC1 ZINC000520550093 564607618 /nfs/dbraw/zinc/60/76/18/564607618.db2.gz QKHOIHKHVSQPRM-SFHVURJKSA-N 1 0 379.913 2.869 20 0 GFADRO CCOc1cc(C[NH2+]C[C@@H]2CC(=O)N(C3CC3)C2)cc(Br)c1O ZINC000572728188 564608266 /nfs/dbraw/zinc/60/82/66/564608266.db2.gz CZXAGUURLPDJBJ-LBPRGKRZSA-N 1 0 383.286 2.654 20 0 GFADRO CC(C)(CO)[C@@H]([NH2+]C[C@H](O)COc1cc(F)cc(Br)c1)C1CC1 ZINC000550102922 564614880 /nfs/dbraw/zinc/61/48/80/564614880.db2.gz WCHFMRYALXOQJB-HOCLYGCPSA-N 1 0 390.293 2.715 20 0 GFADRO C[C@@H](NC(=O)c1cc(F)c(Cl)cc1Cl)C(=O)NCC[NH+]1CCCCC1 ZINC000550118552 564615157 /nfs/dbraw/zinc/61/51/57/564615157.db2.gz YZDHQHOWUNZUSO-LLVKDONJSA-N 1 0 390.286 2.853 20 0 GFADRO OC[C@]1([C@H]([NH2+]C[C@@H](O)COc2cc(Cl)ccc2Cl)C2CC2)CCCO1 ZINC000550141235 564615342 /nfs/dbraw/zinc/61/53/42/564615342.db2.gz QUAUVPDNKYWYRJ-OLMNPRSZSA-N 1 0 390.307 2.643 20 0 GFADRO NS(=O)(=O)CCC[N@@H+]1CCCC[C@@H]1Cc1ccccc1Br ZINC000550157668 564616508 /nfs/dbraw/zinc/61/65/08/564616508.db2.gz NNWMWNBAQQZLCO-CQSZACIVSA-N 1 0 375.332 2.525 20 0 GFADRO CC[C@@H](C)[NH+]1CCN(C(=O)c2cc(Br)cc(C(=O)OC)c2)CC1 ZINC000456524508 564616729 /nfs/dbraw/zinc/61/67/29/564616729.db2.gz PKCULIDIQMKJCN-GFCCVEGCSA-N 1 0 383.286 2.792 20 0 GFADRO Cc1cc(C(=O)Nc2cc(Br)ccc2N2CC[N@@H+](C)C[C@H]2C)n[nH]1 ZINC000521201660 564621784 /nfs/dbraw/zinc/62/17/84/564621784.db2.gz OOOCNFSWDHAELY-GFCCVEGCSA-N 1 0 392.301 2.873 20 0 GFADRO C[C@@H](CNC(=O)N1CC[C@@]2(CC[NH2+]C2)C1)Oc1ccccc1Br ZINC000521216785 564621821 /nfs/dbraw/zinc/62/18/21/564621821.db2.gz HUQYNBZDQGXYNL-SUMWQHHRSA-N 1 0 382.302 2.611 20 0 GFADRO CCCN([C@@H]1CC[NH2+]C1)S(=O)(=O)c1cc(C)c(Br)cc1F ZINC000573089379 564622309 /nfs/dbraw/zinc/62/23/09/564622309.db2.gz DELMEODHGUSJHN-LLVKDONJSA-N 1 0 379.295 2.659 20 0 GFADRO O=C(NCCC[C@@H]1CCC[NH2+]1)c1cn(-c2ccc(Br)cc2)cn1 ZINC000521227272 564622851 /nfs/dbraw/zinc/62/28/51/564622851.db2.gz BQZNYHQNRFAFTA-AWEZNQCLSA-N 1 0 377.286 2.897 20 0 GFADRO C[C@@H](CCNC(=O)C(=O)NCc1cccc(Cl)c1Cl)[NH+]1CCCCC1 ZINC000550420280 564624254 /nfs/dbraw/zinc/62/42/54/564624254.db2.gz YMUDHCWOQMBLPV-ZDUSSCGKSA-N 1 0 386.323 2.990 20 0 GFADRO C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)NCCc1cc(Cl)cc(Cl)c1 ZINC000550687250 564628538 /nfs/dbraw/zinc/62/85/38/564628538.db2.gz UNQCPMHPUVAAJG-CYBMUJFWSA-N 1 0 386.323 2.643 20 0 GFADRO C[C@H](CNC(=O)CNC(=O)c1ccc(Cl)c(Cl)c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000521473464 564628814 /nfs/dbraw/zinc/62/88/14/564628814.db2.gz DJXVWWDAWJMULM-CHWSQXEVSA-N 1 0 386.323 2.960 20 0 GFADRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C(=O)NCc2c(Cl)cccc2Cl)C1 ZINC000550730079 564629812 /nfs/dbraw/zinc/62/98/12/564629812.db2.gz XXNZJAMWHHCJSU-LRDDRELGSA-N 1 0 384.307 2.552 20 0 GFADRO CC[NH+](CC)CC[C@H](CO)NC(=O)Nc1c(F)cc(Br)cc1F ZINC000550811933 564631343 /nfs/dbraw/zinc/63/13/43/564631343.db2.gz DHEMKSBLVJNDSF-LLVKDONJSA-N 1 0 394.260 2.942 20 0 GFADRO CC[NH+](CC)CCS(=O)(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000550828890 564632458 /nfs/dbraw/zinc/63/24/58/564632458.db2.gz LWUPXBGIUJBKGG-UHFFFAOYSA-N 1 0 387.977 2.566 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)[C@@H]1CCN(c2cc(Cl)ccc2Cl)C1=O ZINC000521661239 564634424 /nfs/dbraw/zinc/63/44/24/564634424.db2.gz MHWKJAAUDCJNAW-OCCSQVGLSA-N 1 0 382.291 2.699 20 0 GFADRO CCN(CC)S(=O)(=O)c1ccc(C[NH2+][C@H](Cn2cccn2)C(C)C)s1 ZINC000550928156 564634448 /nfs/dbraw/zinc/63/44/48/564634448.db2.gz JLQHYEIRECERGW-MRXNPFEDSA-N 1 0 384.571 2.790 20 0 GFADRO C[N@@H+](CCC(=O)N1CCc2ccccc2C1)CCn1cc(Br)cn1 ZINC000573360107 564634729 /nfs/dbraw/zinc/63/47/29/564634729.db2.gz DSTNFAMFAOOAKI-UHFFFAOYSA-N 1 0 391.313 2.552 20 0 GFADRO Cc1ccc(C(=O)N2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)cc1Br ZINC000486017199 564635847 /nfs/dbraw/zinc/63/58/47/564635847.db2.gz ORSWYFLGXFMQAI-MAUKXSAKSA-N 1 0 394.357 2.856 20 0 GFADRO C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)N(C)Cc2ccc(Cl)c(Cl)c2)C1 ZINC000551048568 564636370 /nfs/dbraw/zinc/63/63/70/564636370.db2.gz GSTLGCGACVUFHQ-CYBMUJFWSA-N 1 0 386.323 2.800 20 0 GFADRO CC[NH+]1CCN(CC(C)(C)NC(=O)c2scc(C)c2Br)CC1 ZINC000456876249 564636404 /nfs/dbraw/zinc/63/64/04/564636404.db2.gz GKMZLKRSNIPIEM-UHFFFAOYSA-N 1 0 388.375 2.965 20 0 GFADRO CC[NH+]1CCN(CC(C)(C)NC(=O)COc2c(Cl)cccc2Cl)CC1 ZINC000456892442 564637570 /nfs/dbraw/zinc/63/75/70/564637570.db2.gz GGGSXSLOWAARRU-UHFFFAOYSA-N 1 0 388.339 2.905 20 0 GFADRO COc1cc(Br)c(C[NH2+][C@@H](C2CC2)[C@]2(CO)CCCO2)cc1O ZINC000573467398 564639126 /nfs/dbraw/zinc/63/91/26/564639126.db2.gz WVDZBZNNHQSSDR-DLBZAZTESA-N 1 0 386.286 2.573 20 0 GFADRO COCCN(CC[NH+](C)C)C(=O)c1nc2ccccc2cc1Br ZINC000486109502 564639525 /nfs/dbraw/zinc/63/95/25/564639525.db2.gz KHNUTVQWXNGGDF-UHFFFAOYSA-N 1 0 380.286 2.648 20 0 GFADRO C[NH+](C)C[C@@H]1CCCN1C(=O)c1c(O)cnc2c(Br)cccc21 ZINC000486209022 564643467 /nfs/dbraw/zinc/64/34/67/564643467.db2.gz AZNHWBBDVIBPRH-NSHDSACASA-N 1 0 378.270 2.869 20 0 GFADRO Cc1nccnc1CC[NH2+][C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000551275212 564644808 /nfs/dbraw/zinc/64/48/08/564644808.db2.gz QTZGAASWBCGNNG-HNNXBMFYSA-N 1 0 396.310 2.598 20 0 GFADRO O=C(Nc1ncc(F)cc1I)c1ccc2c[nH+]cn2c1 ZINC000551295921 564645850 /nfs/dbraw/zinc/64/58/50/564645850.db2.gz JKFBVMIUKBKVKP-UHFFFAOYSA-N 1 0 382.136 2.725 20 0 GFADRO C[C@H]([NH2+]Cc1cccnc1N1CCOCC1)c1cncc(Br)c1 ZINC000573625472 564646938 /nfs/dbraw/zinc/64/69/38/564646938.db2.gz JTCBTQLKXJWRBF-ZDUSSCGKSA-N 1 0 377.286 2.927 20 0 GFADRO O=C(N[C@H]1CCN(c2ccc(Br)cc2)C1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000522287217 564649263 /nfs/dbraw/zinc/64/92/63/564649263.db2.gz KRRCHBPJZWDFJJ-GJZGRUSLSA-N 1 0 393.329 2.564 20 0 GFADRO Cc1cc(Br)cc(NC(=O)C(=O)NCC[N@H+]2CCCC[C@@H]2C)c1 ZINC000486377285 564650673 /nfs/dbraw/zinc/65/06/73/564650673.db2.gz VVAWUCLZOZJDCL-ZDUSSCGKSA-N 1 0 382.302 2.687 20 0 GFADRO Nc1nc(-n2cccn2)cc(NCCc2c[nH]c3cccc(Br)c23)[nH+]1 ZINC000573738540 564651854 /nfs/dbraw/zinc/65/18/54/564651854.db2.gz PPUFIJJPCNWNFP-UHFFFAOYSA-N 1 0 398.268 3.143 20 0 GFADRO COc1ccc(CNC(=O)N2CC[N@H+](C)[C@H](C(C)C)C2)cc1Br ZINC000486493503 564654266 /nfs/dbraw/zinc/65/42/66/564654266.db2.gz BXZXTLYKAHEAND-HNNXBMFYSA-N 1 0 384.318 2.939 20 0 GFADRO COc1ccc([C@H]2CCN(C(=O)CSCC(F)(F)F)C[C@@H]2[NH3+])cc1F ZINC000457388470 564659620 /nfs/dbraw/zinc/65/96/20/564659620.db2.gz VHGOLAHPDUYZGB-YPMHNXCESA-N 1 0 380.407 2.773 20 0 GFADRO Cc1nn(C)c(C)c1NC(=O)C[NH2+][C@@H](c1cncc(Br)c1)C1CC1 ZINC000551719223 564661654 /nfs/dbraw/zinc/66/16/54/564661654.db2.gz RZJITQCDWWLYLL-QGZVFWFLSA-N 1 0 392.301 2.874 20 0 GFADRO CC(C)[NH2+]CCCNC(=O)[C@H]1CCCN1C(=O)c1ccc(Br)cc1 ZINC000574038014 564665590 /nfs/dbraw/zinc/66/55/90/564665590.db2.gz QWYCQXDHXPRSSF-MRXNPFEDSA-N 1 0 396.329 2.558 20 0 GFADRO C[NH+](C)C[C@@H]1CCCN1C(=O)c1cn(Cc2ccc(Cl)cc2Cl)nn1 ZINC000457541376 564665691 /nfs/dbraw/zinc/66/56/91/564665691.db2.gz QBMBUBZKNJUNRM-AWEZNQCLSA-N 1 0 382.295 2.799 20 0 GFADRO Cc1ccc(S(=O)(=O)N(CC[NH+](C)C)CC(=O)OC(C)(C)C)cc1Cl ZINC000523377695 564665831 /nfs/dbraw/zinc/66/58/31/564665831.db2.gz HXEAODPQQTUXEU-UHFFFAOYSA-N 1 0 390.933 2.542 20 0 GFADRO C[C@H]1CN(C(=O)c2cn(Cc3ccc(Cl)cc3Cl)nn2)C[C@H]1[NH+](C)C ZINC000457610709 564667060 /nfs/dbraw/zinc/66/70/60/564667060.db2.gz KEFKIGIDRKRAEY-MEDUHNTESA-N 1 0 382.295 2.655 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)NCc2n[nH]cc2Br)C1 ZINC000523432106 564667665 /nfs/dbraw/zinc/66/76/65/564667665.db2.gz BKPXRMRUQQWUJW-ZIAGYGMSSA-N 1 0 398.349 2.968 20 0 GFADRO C[C@H](C[NH2+][C@H](c1cccc(Br)c1)C1CCOCC1)S(C)(=O)=O ZINC000574097368 564667892 /nfs/dbraw/zinc/66/78/92/564667892.db2.gz XNJDJHUAUYDAJS-WBMJQRKESA-N 1 0 390.343 2.940 20 0 GFADRO O=C1CCCN1[C@@H]1CCC[N@@H+](C[C@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000523583142 564670367 /nfs/dbraw/zinc/67/03/67/564670367.db2.gz WMCDOGYEBHQSKS-CABCVRRESA-N 1 0 387.307 2.820 20 0 GFADRO CCC1(CC)[C@H]([NH2+]C[C@@H]2CCN(S(=O)(=O)c3cccs3)C2)C[C@H]1OC ZINC000574180735 564670947 /nfs/dbraw/zinc/67/09/47/564670947.db2.gz HSRCAMMOIGMZCZ-ARFHVFGLSA-N 1 0 386.583 2.942 20 0 GFADRO COc1ccc([C@@H](C[NH2+]Cc2c(Br)cnn2C)N(C)C)cc1OC ZINC000486958877 564671357 /nfs/dbraw/zinc/67/13/57/564671357.db2.gz PYRGTRINXBCBRK-CQSZACIVSA-N 1 0 397.317 2.592 20 0 GFADRO C[NH+](C)CCN1CCN(C(=O)c2cc(Br)cc3ccccc32)CC1 ZINC000523703479 564671639 /nfs/dbraw/zinc/67/16/39/564671639.db2.gz GTPWYUZTKAINHB-UHFFFAOYSA-N 1 0 390.325 2.922 20 0 GFADRO O=C(NCc1nc2c(cccc2Br)[nH]1)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000457775959 564672219 /nfs/dbraw/zinc/67/22/19/564672219.db2.gz AHSVQYBCWQQMGA-NEPJUHHUSA-N 1 0 392.301 2.751 20 0 GFADRO Cc1cc(Br)c(S(=O)(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)s1 ZINC000487070498 564674353 /nfs/dbraw/zinc/67/43/53/564674353.db2.gz LXDHMQZIGVXUSE-QWRGUYRKSA-N 1 0 381.361 2.970 20 0 GFADRO CC[C@H](NC(=O)NC[C@@](C)(O)C[NH+](C)C)c1cc(F)cc(Br)c1 ZINC000487068679 564674726 /nfs/dbraw/zinc/67/47/26/564674726.db2.gz QYQIPLHYFUIELW-GOEBONIOSA-N 1 0 390.297 2.651 20 0 GFADRO Cc1ccc(Br)cc1S(=O)(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000487123072 564676059 /nfs/dbraw/zinc/67/60/59/564676059.db2.gz VYNMIRKJTZHWNA-UONOGXRCSA-N 1 0 375.332 2.909 20 0 GFADRO Cc1ccc(Br)c(S(=O)(=O)NCC[NH2+]C(C2CC2)C2CC2)c1 ZINC000552086667 564676147 /nfs/dbraw/zinc/67/61/47/564676147.db2.gz MORCYKMWWFBSAZ-UHFFFAOYSA-N 1 0 387.343 2.814 20 0 GFADRO CC(C)O[C@@H]1C[C@H]([NH2+]C[C@@H]2CCN(S(=O)(=O)c3cccs3)C2)C1(C)C ZINC000552088567 564676395 /nfs/dbraw/zinc/67/63/95/564676395.db2.gz MEXLJVQSFKKSCN-HRCADAONSA-N 1 0 386.583 2.940 20 0 GFADRO C[C@@H](Cc1ccc(Br)cc1)[NH2+]C[C@H]1CCCCN1S(C)(=O)=O ZINC000552097054 564677018 /nfs/dbraw/zinc/67/70/18/564677018.db2.gz RPAZGGMVWCWQIS-XJKSGUPXSA-N 1 0 389.359 2.784 20 0 GFADRO O=C(C[NH2+][C@@H](CCO)c1ccc(Cl)cc1)Nc1cccc2nsnc21 ZINC000574507048 564677622 /nfs/dbraw/zinc/67/76/22/564677622.db2.gz IIFMKWOCVAJIAI-ZDUSSCGKSA-N 1 0 376.869 2.997 20 0 GFADRO COC(=O)c1ccc(C[NH2+][C@H](C2CC2)[C@]2(CO)CCCO2)c(Br)c1 ZINC000552147160 564679222 /nfs/dbraw/zinc/67/92/22/564679222.db2.gz PBXZVBPFHVUVDO-SJLPKXTDSA-N 1 0 398.297 2.645 20 0 GFADRO O=C(NC[C@@H]1CCC[N@H+]1CCCO)N[C@@H]1CCc2cc(Br)ccc21 ZINC000457935264 564680559 /nfs/dbraw/zinc/68/05/59/564680559.db2.gz DVAJNRHTIAEQIX-DOTOQJQBSA-N 1 0 396.329 2.582 20 0 GFADRO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N[C@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O ZINC000487294827 564681547 /nfs/dbraw/zinc/68/15/47/564681547.db2.gz CBDFFUOTCANLLJ-KYOSRNDESA-N 1 0 384.307 2.803 20 0 GFADRO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]Cc1cccc2c1OCCCO2 ZINC000574619474 564681992 /nfs/dbraw/zinc/68/19/92/564681992.db2.gz NTROLPTZUGMTBC-ZDUSSCGKSA-N 1 0 393.281 2.950 20 0 GFADRO CO[C@H]1C[C@H]2C[C@H]([NH2+]CCNS(=O)(=O)c3ccc(Cl)cc3C)C[C@H]2C1 ZINC000574630467 564682036 /nfs/dbraw/zinc/68/20/36/564682036.db2.gz XPBCEJUZCUWLBQ-LOXOPEBLSA-N 1 0 386.945 2.720 20 0 GFADRO C[C@H]1C[C@@H](N(C)C(=O)c2cc(=O)c3cc(Br)ccc3[nH]2)CC[N@@H+]1C ZINC000524655142 564684347 /nfs/dbraw/zinc/68/43/47/564684347.db2.gz XQSMJBHOAPVROF-AAEUAGOBSA-N 1 0 392.297 2.845 20 0 GFADRO CS(=O)(=O)Nc1ccc(NC(=O)NCC[NH+]2CCCCCC2)cc1Cl ZINC000524622785 564684667 /nfs/dbraw/zinc/68/46/67/564684667.db2.gz LTMBPELPYRCYIM-UHFFFAOYSA-N 1 0 388.921 2.709 20 0 GFADRO C[N@@H+]1CCC[C@H](CNC(=O)Cn2cc(Br)cn2)[C@H]1c1cccs1 ZINC000524645174 564684758 /nfs/dbraw/zinc/68/47/58/564684758.db2.gz HQCHBAXEMMEIJE-WBMJQRKESA-N 1 0 397.342 2.906 20 0 GFADRO COCCc1nc(C)c([C@H](C)[NH2+]C[C@H](N2CCOCC2)C(F)(F)F)s1 ZINC000552335595 564686550 /nfs/dbraw/zinc/68/65/50/564686550.db2.gz XQWARZKPOGFIQH-AAEUAGOBSA-N 1 0 381.464 2.554 20 0 GFADRO C[C@H]1CC[N@H+](CCNC(=O)[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C1 ZINC000524720023 564686653 /nfs/dbraw/zinc/68/66/53/564686653.db2.gz VCVHCSYINXGSDC-GXTWGEPZSA-N 1 0 384.307 2.804 20 0 GFADRO O=C(Nc1nnc(-c2cccc(Cl)c2)s1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000574740805 564687014 /nfs/dbraw/zinc/68/70/14/564687014.db2.gz MWQADEFZYCWZTM-QGZVFWFLSA-N 1 0 377.901 3.466 20 0 GFADRO C[C@H]1CC[N@H+](CCNC(=O)c2cnc(Sc3nccn3C)c(Cl)c2)C1 ZINC000524775531 564687537 /nfs/dbraw/zinc/68/75/37/564687537.db2.gz HYAHVPVLTWUPEB-LBPRGKRZSA-N 1 0 379.917 2.691 20 0 GFADRO CNC(=O)CCC[NH+]1CCC(C(=O)Nc2cccc(Br)c2)CC1 ZINC000574924491 564689211 /nfs/dbraw/zinc/68/92/11/564689211.db2.gz PZGQOXZKCTVXHN-UHFFFAOYSA-N 1 0 382.302 2.626 20 0 GFADRO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)Nc1cc(Br)cc(C(=O)N2CCCC2)c1 ZINC000487567057 564691166 /nfs/dbraw/zinc/69/11/66/564691166.db2.gz CBTNBEFBZVEVLW-WBMJQRKESA-N 1 0 394.313 2.821 20 0 GFADRO CC1(C)C[NH2+]CC[C@H]1NS(=O)(=O)Cc1cc(Cl)ccc1Br ZINC000575045665 564691602 /nfs/dbraw/zinc/69/16/02/564691602.db2.gz NTAGSLGEWXNURI-CYBMUJFWSA-N 1 0 395.750 2.910 20 0 GFADRO O=C(CCCOc1ccc(Cl)cc1Cl)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000575044339 564691771 /nfs/dbraw/zinc/69/17/71/564691771.db2.gz WARHXCITLWAUDN-HNNXBMFYSA-N 1 0 386.323 2.659 20 0 GFADRO CC1(C)C[NH2+]CC[C@@H]1NS(=O)(=O)Cc1cc(Cl)ccc1Br ZINC000575045670 564691813 /nfs/dbraw/zinc/69/18/13/564691813.db2.gz NTAGSLGEWXNURI-ZDUSSCGKSA-N 1 0 395.750 2.910 20 0 GFADRO CS(=O)(=O)N1CC[C@H]([NH2+][C@@H](c2ccc(Br)cc2F)C2CC2)C1 ZINC000575130070 564692480 /nfs/dbraw/zinc/69/24/80/564692480.db2.gz JIRXQQCPCOAISL-SWLSCSKDSA-N 1 0 391.306 2.663 20 0 GFADRO C[N@@H+]1CCC[C@@H](CCNC(=O)c2ccc(I)c(F)c2)C1 ZINC000458176014 564692633 /nfs/dbraw/zinc/69/26/33/564692633.db2.gz UEJKRLTWWUVDNG-NSHDSACASA-N 1 0 390.240 2.892 20 0 GFADRO CC[C@@H]1CN(CCNC(=O)NCCOc2cccc(Cl)c2Cl)CCO1 ZINC000575188515 564693789 /nfs/dbraw/zinc/69/37/89/564693789.db2.gz LOSUDKPWNICFAS-CYBMUJFWSA-N 1 0 390.311 2.782 20 0 GFADRO O=C(NC[C@H](CO)Cc1ccc(Br)cc1)c1ccc2c[nH+]cn2c1 ZINC000552518732 564694111 /nfs/dbraw/zinc/69/41/11/564694111.db2.gz KPMVLJDPFSLIIB-CQSZACIVSA-N 1 0 388.265 2.678 20 0 GFADRO Cn1cc(-c2ncc(C(=O)N(CC[NH+](C)C)Cc3ccsc3)s2)cn1 ZINC000458208506 564694347 /nfs/dbraw/zinc/69/43/47/564694347.db2.gz WYKWJBZETBXJEC-UHFFFAOYSA-N 1 0 375.523 2.809 20 0 GFADRO C[C@@H]1C[N@H+](CCC[NH2+]C[C@H](O)COc2c(Cl)cccc2Cl)CCCO1 ZINC000575252862 564695632 /nfs/dbraw/zinc/69/56/32/564695632.db2.gz PUXPTCOIQJBNLU-CABCVRRESA-N 1 0 391.339 2.824 20 0 GFADRO CO[C@@H]1CC[C@@H]2OCCN(Cc3cn4ccc(Br)cc4n3)[C@@H]2C1 ZINC000575325916 564696333 /nfs/dbraw/zinc/69/63/33/564696333.db2.gz FKYUZUXZWHFSTD-OAGGEKHMSA-N 1 0 380.286 2.865 20 0 GFADRO C[C@@H](CC[NH+](C)C)NC(=O)N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000487875212 564697901 /nfs/dbraw/zinc/69/79/01/564697901.db2.gz GXZCCACZGIUZFP-NHYWBVRUSA-N 1 0 387.311 2.738 20 0 GFADRO CSC[C@H]1CCC[N@@H+]1CC(=O)N1CCN(Cc2cccc(Cl)c2)CC1 ZINC000487974380 564700574 /nfs/dbraw/zinc/70/05/74/564700574.db2.gz ADNLEEKFESVWEF-GOSISDBHSA-N 1 0 381.973 2.812 20 0 GFADRO O=C([C@@H]1CCC[N@@H+]1C1CC1)N1CCN(c2cccc(Br)c2)CC1 ZINC000552785796 564700651 /nfs/dbraw/zinc/70/06/51/564700651.db2.gz ALWJCTHSAPVMHX-KRWDZBQOSA-N 1 0 378.314 2.725 20 0 GFADRO C[N@@H+]1CC[C@]2(CCN(C(=O)NCCOc3cccc(Br)c3)C2)C1 ZINC000488023574 564702718 /nfs/dbraw/zinc/70/27/18/564702718.db2.gz IMTCIUDOJQBCMH-KRWDZBQOSA-N 1 0 382.302 2.565 20 0 GFADRO C[N@H+](CC(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1)[C@H]1CCSC1 ZINC000488166341 564705082 /nfs/dbraw/zinc/70/50/82/564705082.db2.gz IMKLRYVPZGEQLS-ZBFHGGJFSA-N 1 0 398.370 2.581 20 0 GFADRO CN1CCO[C@H]([C@H](NC(=O)N2C[C@@H]3C[C@H]2CS3)c2ccc(Cl)cc2)C1 ZINC000458594296 564707499 /nfs/dbraw/zinc/70/74/99/564707499.db2.gz BHKDLXFGSYBUDJ-LUKYLMHMSA-N 1 0 381.929 2.611 20 0 GFADRO CCOC(=O)c1sc2nc(C)nc(NCC[NH+]3CCSCC3)c2c1C ZINC000488222368 564707459 /nfs/dbraw/zinc/70/74/59/564707459.db2.gz UMQIERMTHOHVHG-UHFFFAOYSA-N 1 0 380.539 2.946 20 0 GFADRO C[C@H]1CC[N@H+](CCNC(=O)c2cc(F)ccc2I)C1 ZINC000525805930 564709661 /nfs/dbraw/zinc/70/96/61/564709661.db2.gz WGJJZINHJAJYBH-JTQLQIEISA-N 1 0 376.213 2.502 20 0 GFADRO O[C@H](C[NH2+]CCCn1cc(Br)cn1)COc1cccc2[nH]ccc21 ZINC000576272717 564711104 /nfs/dbraw/zinc/71/11/04/564711104.db2.gz FVCNDLJYIOQDLY-CQSZACIVSA-N 1 0 393.285 2.547 20 0 GFADRO COc1cc(Br)ccc1CNC(=O)N[C@H](C)C1=CC[N@H+](C)CC1 ZINC000488498138 564712998 /nfs/dbraw/zinc/71/29/98/564712998.db2.gz LXKKRXLHKJZYMF-GFCCVEGCSA-N 1 0 382.302 2.907 20 0 GFADRO C[NH+](C)[C@@H]1CCCN(C(=O)C2(c3cccc(Br)c3)CC(=O)C2)C1 ZINC000553258821 564713626 /nfs/dbraw/zinc/71/36/26/564713626.db2.gz JWLMSNIAQLIYGG-OAHLLOKOSA-N 1 0 379.298 2.602 20 0 GFADRO Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)N1CC[C@@H](c2nccn2C)C1 ZINC000576556900 564715369 /nfs/dbraw/zinc/71/53/69/564715369.db2.gz SVBMPNMHIQVIBM-SNVBAGLBSA-N 1 0 375.782 2.613 20 0 GFADRO Cc1csc(C(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)c1I ZINC000576754157 564718151 /nfs/dbraw/zinc/71/81/51/564718151.db2.gz AGMXMGRENOGPPS-WDEREUQCSA-N 1 0 390.290 2.779 20 0 GFADRO CC(C)(NC(=O)NCC[N@@H+]1CCCOCC1)c1ccccc1Br ZINC000458843124 564719451 /nfs/dbraw/zinc/71/94/51/564719451.db2.gz MRLQQPUOCZXQSO-UHFFFAOYSA-N 1 0 384.318 2.706 20 0 GFADRO C[C@H](NC(=O)NCCNc1cc[nH+]cc1)c1ccc(F)c(Br)c1 ZINC000458839521 564719533 /nfs/dbraw/zinc/71/95/33/564719533.db2.gz DLMFQQGFNZEQDX-NSHDSACASA-N 1 0 381.249 2.877 20 0 GFADRO CC[C@H](O)C[NH2+]C[C@H]1CCCN1Cc1ccc(I)cc1 ZINC000576936609 564721260 /nfs/dbraw/zinc/72/12/60/564721260.db2.gz NDYMMGPGUPGRKY-CVEARBPZSA-N 1 0 388.293 2.616 20 0 GFADRO CSc1ccc([C@@H](CNC(=O)N(C)C[C@H](O)C(F)(F)F)[NH+](C)C)cc1 ZINC000458905210 564722864 /nfs/dbraw/zinc/72/28/64/564722864.db2.gz VGGCOQRUZKSYCR-KGLIPLIRSA-N 1 0 379.448 2.576 20 0 GFADRO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1nc(C)c(Br)s1 ZINC000458922641 564723932 /nfs/dbraw/zinc/72/39/32/564723932.db2.gz IJINRDVPKUFVEV-VXGBXAGGSA-N 1 0 387.347 2.982 20 0 GFADRO Cc1nc(CNC(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)sc1Br ZINC000458932671 564724850 /nfs/dbraw/zinc/72/48/50/564724850.db2.gz RAXLNWJKCNTAFN-MWLCHTKSSA-N 1 0 375.336 2.696 20 0 GFADRO C[NH+](C)CC1CCN(C(=O)Cc2ccc(I)cc2)CC1 ZINC000488982394 564726412 /nfs/dbraw/zinc/72/64/12/564726412.db2.gz OOHUKTGCBQTPHL-UHFFFAOYSA-N 1 0 386.277 2.634 20 0 GFADRO C[C@H](O)C[N@@H+]1CCN(C(=O)NC/C=C\c2ccc(Br)cc2)C[C@@H]1C ZINC000458984569 564727644 /nfs/dbraw/zinc/72/76/44/564727644.db2.gz VMFFPJSIFYEPDG-CGXNLCPXSA-N 1 0 396.329 2.559 20 0 GFADRO Cc1csc(C(=O)NCC[N@H+]2CC[C@@H](C)C2)c1I ZINC000527046015 564728332 /nfs/dbraw/zinc/72/83/32/564728332.db2.gz RUHFCPPQYOILDB-SECBINFHSA-N 1 0 378.279 2.733 20 0 GFADRO CCCN(CC[NH+]1CCCCC1)C(=O)NCc1nn(C)cc1Br ZINC000459036730 564729027 /nfs/dbraw/zinc/72/90/27/564729027.db2.gz XBKFZCMCGYQRSC-UHFFFAOYSA-N 1 0 386.338 2.590 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1cccc(OC(F)(F)F)c1F ZINC000489135183 564731351 /nfs/dbraw/zinc/73/13/51/564731351.db2.gz VXWFLTQQHAYFEN-LLVKDONJSA-N 1 0 384.395 2.877 20 0 GFADRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)Cc2cc3c(cc2Br)OCCO3)C1 ZINC000527135770 564731574 /nfs/dbraw/zinc/73/15/74/564731574.db2.gz GIXKYQXBVZTAFC-ZDUSSCGKSA-N 1 0 397.313 2.609 20 0 GFADRO Cc1ccccc1[C@H](CO)[NH2+]C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000527128618 564731951 /nfs/dbraw/zinc/73/19/51/564731951.db2.gz HGOBJUIDQCOLTJ-YJBOKZPZSA-N 1 0 398.272 2.960 20 0 GFADRO O=C1NC(=O)C2(CCC([NH2+]CCCc3ccc(Br)cc3F)CC2)N1 ZINC000553789962 564736076 /nfs/dbraw/zinc/73/60/76/564736076.db2.gz IGLGXYVERWDQKV-UHFFFAOYSA-N 1 0 398.276 2.631 20 0 GFADRO C[C@H]([NH3+])C[C@H](C)NC(=O)Nc1cc(Br)ccc1N1CCOCC1 ZINC000577512004 564736514 /nfs/dbraw/zinc/73/65/14/564736514.db2.gz GPZSHIQMPZJGRV-RYUDHWBXSA-N 1 0 385.306 2.533 20 0 GFADRO CC[N@@H+]1C[C@H](C)N(C(=O)NCc2nc3c(cccc3Br)[nH]2)C[C@@H]1C ZINC000459226456 564737812 /nfs/dbraw/zinc/73/78/12/564737812.db2.gz YLANLZDYFANUOF-RYUDHWBXSA-N 1 0 394.317 2.950 20 0 GFADRO CCOCC[NH+]1CCN(Cc2cc(Br)c(O)c(OCC)c2)CC1 ZINC000459310915 564738723 /nfs/dbraw/zinc/73/87/23/564738723.db2.gz MTFJXWGTQSTTSY-UHFFFAOYSA-N 1 0 387.318 2.708 20 0 GFADRO O[C@H](COc1ccc(Cl)cc1Br)C[NH+]1CC2(C1)CCCOC2 ZINC000489419469 564738936 /nfs/dbraw/zinc/73/89/36/564738936.db2.gz WDSWWBLCRSYATJ-ZDUSSCGKSA-N 1 0 390.705 2.955 20 0 GFADRO CC1(C)C[C@@H]([NH2+]C[C@H]2CS(=O)(=O)CCO2)c2cc(Br)ccc21 ZINC000527316543 564739153 /nfs/dbraw/zinc/73/91/53/564739153.db2.gz UOWNCTYCVXRXOO-SWLSCSKDSA-N 1 0 388.327 2.575 20 0 GFADRO [NH3+][C@H]1CCCC[C@@H]1CC(=O)NCCc1ccc(I)s1 ZINC000578066286 564740254 /nfs/dbraw/zinc/74/02/54/564740254.db2.gz NFHSDKMECHAYOY-PWSUYJOCSA-N 1 0 392.306 2.919 20 0 GFADRO COc1cc(CN2CCC[C@]3(CCS(=O)(=O)C3)C2)c(SC)cc1OC ZINC000578147839 564741204 /nfs/dbraw/zinc/74/12/04/564741204.db2.gz KSUHJLDZTCEDCJ-SFHVURJKSA-N 1 0 385.551 2.826 20 0 GFADRO CCOc1cc(C[NH2+]C[C@@H]2CCCN2CCOC)cc(Br)c1O ZINC000459401934 564742260 /nfs/dbraw/zinc/74/22/60/564742260.db2.gz JJTPYVOFVDJDQQ-AWEZNQCLSA-N 1 0 387.318 2.754 20 0 GFADRO CCOC(=O)c1cc(Cl)cc(S(=O)(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)c1 ZINC000489544656 564742663 /nfs/dbraw/zinc/74/26/63/564742663.db2.gz CWBAPCNJMYVQBP-CABCVRRESA-N 1 0 388.917 2.668 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@@H](NS(=O)(=O)c2cccc(OC(F)(F)F)c2F)C1 ZINC000489552304 564744069 /nfs/dbraw/zinc/74/40/69/564744069.db2.gz NAFYIWUFLCVWQH-GHMZBOCLSA-N 1 0 384.395 2.875 20 0 GFADRO CC[N@H+]1C[C@@H](C)N(C[C@H](O)COc2cc(F)cc(Br)c2)[C@@H](C)C1 ZINC000459466764 564745567 /nfs/dbraw/zinc/74/55/67/564745567.db2.gz RECIZWHGCZJDMO-ZENOOKHLSA-N 1 0 389.309 2.742 20 0 GFADRO COc1ccc(CC[NH2+]Cc2c(F)cc(C)cc2Cl)cc1S(N)(=O)=O ZINC000459468291 564746032 /nfs/dbraw/zinc/74/60/32/564746032.db2.gz SSELKCOYZHNXQT-UHFFFAOYSA-N 1 0 386.876 2.776 20 0 GFADRO C[C@H](NC(=O)N1CCO[C@H](c2cccc(Br)c2)C1)[C@@H]1CCC[NH2+]C1 ZINC000579333630 564747474 /nfs/dbraw/zinc/74/74/74/564747474.db2.gz RAESFRFFTZSPCB-LXZKKBNFSA-N 1 0 396.329 2.920 20 0 GFADRO CCCN1C[C@@H](C[NH2+]CCC(=O)Nc2cccc(Br)c2)CC1=O ZINC000579463604 564748220 /nfs/dbraw/zinc/74/82/20/564748220.db2.gz BMPHJPNACGUFAD-CYBMUJFWSA-N 1 0 382.302 2.626 20 0 GFADRO C[NH+](C)CC1CCN(S(=O)(=O)c2cccc(OC(F)(F)F)c2F)CC1 ZINC000489694284 564749494 /nfs/dbraw/zinc/74/94/94/564749494.db2.gz HKEQELXEQLYOSM-UHFFFAOYSA-N 1 0 384.395 2.687 20 0 GFADRO CCO[C@@H]1C[C@H]([NH2+]CCCNS(=O)(=O)c2ccccc2Cl)[C@H]1SC ZINC000459541825 564749640 /nfs/dbraw/zinc/74/96/40/564749640.db2.gz NEBQPQGIOQORJA-SQWLQELKSA-N 1 0 392.974 2.507 20 0 GFADRO C[N@H+](CCOc1ccc(S(N)(=O)=O)cc1F)CCc1cccc(Cl)c1 ZINC000459560600 564750327 /nfs/dbraw/zinc/75/03/27/564750327.db2.gz LDIUPWJDPKISJI-UHFFFAOYSA-N 1 0 386.876 2.680 20 0 GFADRO Fc1ccc2c(c1Br)CN(c1ccnc(N3CCOCC3)n1)CC2 ZINC000527617321 564750432 /nfs/dbraw/zinc/75/04/32/564750432.db2.gz GBQLNUKCOFOFRX-UHFFFAOYSA-N 1 0 393.260 2.778 20 0 GFADRO O=C([C@H]1CCc2cncn2C1)N1CCc2ccc(F)c(Br)c2C1 ZINC000527628649 564752124 /nfs/dbraw/zinc/75/21/24/564752124.db2.gz RHVXRIGPRMLTBB-LBPRGKRZSA-N 1 0 378.245 2.932 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NCc2ccc(Cl)cc2Cl)C[C@H]1C ZINC000579813259 564752465 /nfs/dbraw/zinc/75/24/65/564752465.db2.gz BUYJKJHQTISIBA-DOMZBBRYSA-N 1 0 386.323 2.941 20 0 GFADRO COCCN1CC[C@H]([NH2+]Cc2c[nH]nc2-c2ccc(Br)s2)C1 ZINC000527657976 564753122 /nfs/dbraw/zinc/75/31/22/564753122.db2.gz UFGURHJVGXPWPI-LBPRGKRZSA-N 1 0 385.331 2.711 20 0 GFADRO CN(CC(=O)Nc1ccccc1Br)C(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000489865570 564755499 /nfs/dbraw/zinc/75/54/99/564755499.db2.gz XIZGREAWJUGCKW-NOLJZWGESA-N 1 0 394.313 2.767 20 0 GFADRO Clc1ccc(Cc2nc(CN3CCN([C@H]4CC[NH2+]C4)CC3)cs2)cc1 ZINC000489860135 564755618 /nfs/dbraw/zinc/75/56/18/564755618.db2.gz OMEPXXIJJZCHIQ-SFHVURJKSA-N 1 0 376.957 2.867 20 0 GFADRO CC(C)[NH+]1CCC(O)(CNCc2ncc(Cl)cc2Br)CC1 ZINC000527679120 564755658 /nfs/dbraw/zinc/75/56/58/564755658.db2.gz WXVKPZMKMHEEDR-UHFFFAOYSA-N 1 0 376.726 2.822 20 0 GFADRO O[C@H]1CC[N@H+](Cc2ccccc2CNCc2ncc(Br)cc2F)C1 ZINC000527693856 564756334 /nfs/dbraw/zinc/75/63/34/564756334.db2.gz ZLLUDVFZUWNROP-INIZCTEOSA-N 1 0 394.288 2.840 20 0 GFADRO Cc1nn(C)c(C)c1C[NH2+]C[C@@H](CO)Cc1cc(F)cc(Br)c1 ZINC000459690910 564756656 /nfs/dbraw/zinc/75/66/56/564756656.db2.gz FXXMBRVNYNHOAA-AWEZNQCLSA-N 1 0 384.293 2.879 20 0 GFADRO C[N@@H+]1CCN(CCNCc2ncc(Cl)cc2Br)CC1(C)C ZINC000527703472 564756612 /nfs/dbraw/zinc/75/66/12/564756612.db2.gz PBZKGBJZXPHXNU-UHFFFAOYSA-N 1 0 375.742 2.613 20 0 GFADRO CS(=O)(=O)N[C@H]1CCCC[C@@H]1C[NH2+]Cc1ccsc1Br ZINC000527707758 564757226 /nfs/dbraw/zinc/75/72/26/564757226.db2.gz NEICUUMXLCTUTA-PWSUYJOCSA-N 1 0 381.361 2.708 20 0 GFADRO COc1ccc(C[NH2+]C[C@@H](CO)Cc2cc(F)cc(Br)c2)cn1 ZINC000459706107 564757488 /nfs/dbraw/zinc/75/74/88/564757488.db2.gz RMSQBRLLZGMZJZ-AWEZNQCLSA-N 1 0 383.261 2.933 20 0 GFADRO CC[C@H]1[NH2+]CC[C@H]1C(=O)N1CCN(Cc2ccc(Br)s2)CC1 ZINC000580439044 564758597 /nfs/dbraw/zinc/75/85/97/564758597.db2.gz OHSCLRSOTLZLLI-ZIAGYGMSSA-N 1 0 386.359 2.543 20 0 GFADRO O=S(=O)(c1cc(Cl)ccc1Br)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000489989640 564759385 /nfs/dbraw/zinc/75/93/85/564759385.db2.gz ORROFCPMIVHKEL-CQSZACIVSA-N 1 0 393.734 2.867 20 0 GFADRO COc1cc(C[NH2+][C@H]2COC[C@H]2OC)cc(Br)c1OC(F)F ZINC000459748634 564760063 /nfs/dbraw/zinc/76/00/63/564760063.db2.gz FIWAFIOOVKKCET-CMPLNLGQSA-N 1 0 382.201 2.563 20 0 GFADRO COc1ccc(CN2CC[C@@H]2C[NH2+]Cc2c(Br)cnn2C)cc1 ZINC000527776029 564760394 /nfs/dbraw/zinc/76/03/94/564760394.db2.gz XNVKRLQVEKDBFL-CQSZACIVSA-N 1 0 379.302 2.555 20 0 GFADRO CC(C)CN(C(=O)C[NH2+][C@H](C)c1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000459787219 564760951 /nfs/dbraw/zinc/76/09/51/564760951.db2.gz OUARTOMFFLZFAZ-PBHICJAKSA-N 1 0 386.945 2.662 20 0 GFADRO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N(C)Cc2ccc(Cl)c(Cl)c2)C1 ZINC000459850931 564762916 /nfs/dbraw/zinc/76/29/16/564762916.db2.gz KOXLBZLEWHWOQO-CQSZACIVSA-N 1 0 386.323 2.895 20 0 GFADRO C[C@H]([NH2+]C[C@H](n1cccn1)C(F)(F)F)c1cccc(NS(C)(=O)=O)c1 ZINC000527938120 564765258 /nfs/dbraw/zinc/76/52/58/564765258.db2.gz JLKKWDQOERWMCY-FZMZJTMJSA-N 1 0 376.404 2.709 20 0 GFADRO CN(Cc1nccn1C)C(=O)c1c(O)cnc2c(Br)cccc21 ZINC000580645022 564767394 /nfs/dbraw/zinc/76/73/94/564767394.db2.gz TWNREXDBZHKMEY-UHFFFAOYSA-N 1 0 375.226 2.709 20 0 GFADRO CC(C)C[N@@H+]1CC[C@H](C[NH2+]C[C@H](O)COc2cccc(Br)c2)C1 ZINC000580641169 564767917 /nfs/dbraw/zinc/76/79/17/564767917.db2.gz KZAFECOZZBBHQJ-WBVHZDCISA-N 1 0 385.346 2.756 20 0 GFADRO CN(Cc1cc(Br)ccc1Cl)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000580633023 564767959 /nfs/dbraw/zinc/76/79/59/564767959.db2.gz UVZAABZDNASUMT-ZDUSSCGKSA-N 1 0 390.709 2.622 20 0 GFADRO O=S(=O)(N[C@@H]1CC[NH2+]C12CCC2)c1ccc(Br)cc1Cl ZINC000528051310 564768329 /nfs/dbraw/zinc/76/83/29/564768329.db2.gz LPDPZAABNCJOKO-GFCCVEGCSA-N 1 0 379.707 2.665 20 0 GFADRO O=C(C[NH2+][C@@H](CO)C1CCOCC1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000554643059 564768741 /nfs/dbraw/zinc/76/87/41/564768741.db2.gz RJKBIINIASSCPW-AWEZNQCLSA-N 1 0 380.794 2.674 20 0 GFADRO CN(Cc1ccc(Cl)s1)C(=O)C(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000460038988 564768954 /nfs/dbraw/zinc/76/89/54/564768954.db2.gz WRVQRCKXSCYGSC-AWEZNQCLSA-N 1 0 383.945 2.837 20 0 GFADRO O=C(NCCC[C@H]1CCC[NH2+]1)c1ccn(-c2cccc(Br)c2)n1 ZINC000580709421 564770411 /nfs/dbraw/zinc/77/04/11/564770411.db2.gz ZCWITBOIGLHZQW-CQSZACIVSA-N 1 0 377.286 2.897 20 0 GFADRO Cc1cc(NC(=O)C(=O)N2CCC(CC[NH3+])CC2)cc(C)c1Br ZINC000580719914 564770951 /nfs/dbraw/zinc/77/09/51/564770951.db2.gz DGRFDGPRQRWKGY-UHFFFAOYSA-N 1 0 382.302 2.592 20 0 GFADRO CSC1(CNC(=O)N[C@@H]2CCOC3(CCSCC3)C2)CC[NH+](C)CC1 ZINC000580747912 564771991 /nfs/dbraw/zinc/77/19/91/564771991.db2.gz RTDLQYQNYDXSCI-OAHLLOKOSA-N 1 0 387.615 2.558 20 0 GFADRO CCn1c(-c2cc(Br)cn2C)nnc1N1C[C@H](C)[N@H+](CC)C[C@H]1C ZINC000460241561 564772538 /nfs/dbraw/zinc/77/25/38/564772538.db2.gz ZIEZBQSHHIDJRZ-QWHCGFSZSA-N 1 0 395.349 2.985 20 0 GFADRO CC1=CC[N@H+](CCNC(=O)N[C@H](CCO)c2ccccc2Br)CC1 ZINC000460228090 564772581 /nfs/dbraw/zinc/77/25/81/564772581.db2.gz IJVYLFYELRSTPY-QGZVFWFLSA-N 1 0 396.329 2.824 20 0 GFADRO NS(=O)(=O)c1ccc(NC[C@H]2CC[N@@H+]2C2CCCC2)cc1C(F)(F)F ZINC000528211701 564773355 /nfs/dbraw/zinc/77/33/55/564773355.db2.gz UJZXPOONHVEQKX-CYBMUJFWSA-N 1 0 377.432 2.782 20 0 GFADRO COc1ccc(NC(=O)CN2C[C@H](SC)[C@@H]([NH+]3CCCC3)C2)cc1Cl ZINC000460365935 564774921 /nfs/dbraw/zinc/77/49/21/564774921.db2.gz WUJHJCJONHBILH-RDJZCZTQSA-N 1 0 383.945 2.799 20 0 GFADRO Cc1ccc(NC(=O)C(=O)N2CCC3(CC[NH2+]CC3)CC2)c(Br)c1 ZINC000580821678 564775455 /nfs/dbraw/zinc/77/54/55/564775455.db2.gz RRVCAYHBHZCLNU-UHFFFAOYSA-N 1 0 394.313 2.688 20 0 GFADRO FC(F)(F)CN1CC[C@H]([NH2+]Cc2cn3ccc(Br)cc3n2)C1 ZINC000554978897 564780425 /nfs/dbraw/zinc/78/04/25/564780425.db2.gz PRBLUVBLEZCAQB-NSHDSACASA-N 1 0 377.208 2.823 20 0 GFADRO CCCN(CC[NH+]1CCCCCC1)S(=O)(=O)c1ccc(C(=O)OC)s1 ZINC000580974940 564782520 /nfs/dbraw/zinc/78/25/20/564782520.db2.gz RXOIIEMQRYNIPI-UHFFFAOYSA-N 1 0 388.555 2.811 20 0 GFADRO CSC1(CNC(=O)c2ccc(OCC(F)(F)F)cn2)CC[NH+](C)CC1 ZINC000555074439 564783157 /nfs/dbraw/zinc/78/31/57/564783157.db2.gz VWOSXLUTXKUIJI-UHFFFAOYSA-N 1 0 377.432 2.580 20 0 GFADRO C[C@@H](CNC(=O)[C@H]([NH3+])Cc1ccccc1)Oc1ccc(Br)cc1 ZINC000490977357 564784436 /nfs/dbraw/zinc/78/44/36/564784436.db2.gz XSCKJLLYWWZIFR-SUMWQHHRSA-N 1 0 377.282 2.903 20 0 GFADRO C[C@@H](CNC(=O)C[N@H+](C)[C@@H]1CCSC1)Oc1ccc(Br)cc1 ZINC000491060020 564785060 /nfs/dbraw/zinc/78/50/60/564785060.db2.gz VBFREVASVQDUNE-GXTWGEPZSA-N 1 0 387.343 2.770 20 0 GFADRO Cc1cccc(Br)c1C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000581045102 564785173 /nfs/dbraw/zinc/78/51/73/564785173.db2.gz ZTMXVXWDDXEJHX-UHFFFAOYSA-N 1 0 381.314 2.942 20 0 GFADRO CCCC[N@H+](C)CCNC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000491060363 564785533 /nfs/dbraw/zinc/78/55/33/564785533.db2.gz NOUVMJXZVQBVRE-UHFFFAOYSA-N 1 0 388.343 2.952 20 0 GFADRO COC(=O)c1ccc(Cl)cc1S(=O)(=O)NCCCCC[NH+]1CCCC1 ZINC000555414745 564792399 /nfs/dbraw/zinc/79/23/99/564792399.db2.gz GTDGUQVTPGROSC-UHFFFAOYSA-N 1 0 388.917 2.671 20 0 GFADRO C[N@@H+]1CCC[C@]2(CCN(S(=O)(=O)c3cccc(Br)c3F)C2)C1 ZINC000555407102 564792774 /nfs/dbraw/zinc/79/27/74/564792774.db2.gz PKUNYCFOOFUVEZ-HNNXBMFYSA-N 1 0 391.306 2.695 20 0 GFADRO O=S(=O)(Cc1ccc(Br)cc1)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000528547016 564793088 /nfs/dbraw/zinc/79/30/88/564793088.db2.gz GKZBTZAJANPFSN-MRXNPFEDSA-N 1 0 387.343 2.885 20 0 GFADRO CC(C)(C)[N@@H+](Cc1ccc(Br)cc1)C[C@H](O)CN1CCOCC1 ZINC000528593440 564796485 /nfs/dbraw/zinc/79/64/85/564796485.db2.gz OJKPTTDBGPZLKP-QGZVFWFLSA-N 1 0 385.346 2.743 20 0 GFADRO CC(=O)N1CCC(C[NH2+]CCC(=O)Nc2ccc(Br)cc2)CC1 ZINC000581305474 564797364 /nfs/dbraw/zinc/79/73/64/564797364.db2.gz JYRZLCOSNSHJJJ-UHFFFAOYSA-N 1 0 382.302 2.626 20 0 GFADRO C[NH+](C)CCCOc1cnccc1CNCc1ccc(Br)cn1 ZINC000581333132 564798134 /nfs/dbraw/zinc/79/81/34/564798134.db2.gz QJDUXLJEEPJVTK-UHFFFAOYSA-N 1 0 379.302 2.859 20 0 GFADRO NC(=O)c1ccc(NC(=O)CC[N@@H+]2CCSC[C@H]2C2CCC2)cc1Cl ZINC000581360291 564798936 /nfs/dbraw/zinc/79/89/36/564798936.db2.gz QVHSKTNLKGRHMA-INIZCTEOSA-N 1 0 381.929 2.985 20 0 GFADRO C[C@H]1CN(C(=O)c2cnc(Sc3nccn3C)c(Cl)c2)C[C@@H]1[NH+](C)C ZINC000461618610 564800157 /nfs/dbraw/zinc/80/01/57/564800157.db2.gz PGDRBVQEATZMHW-FZMZJTMJSA-N 1 0 379.917 2.642 20 0 GFADRO Cc1cc(Cl)ccc1Cc1cnc(NC(=O)NC[C@H]2COCC[NH2+]2)s1 ZINC000528691438 564800615 /nfs/dbraw/zinc/80/06/15/564800615.db2.gz IQUTWACUMCZZIS-AWEZNQCLSA-N 1 0 380.901 2.806 20 0 GFADRO OC[C@H]([NH2+]C1CCN(CC(F)F)CC1)c1ccc(Br)c(F)c1 ZINC000492308449 564801941 /nfs/dbraw/zinc/80/19/41/564801941.db2.gz BMAPAKWZENEWCG-AWEZNQCLSA-N 1 0 381.236 2.941 20 0 GFADRO CCC[N@H+](CC)C[C@H](C)NS(=O)(=O)c1ccc(NC(C)=O)c(Cl)c1 ZINC000581457822 564802981 /nfs/dbraw/zinc/80/29/81/564802981.db2.gz NOQWUVATBHOGAZ-LBPRGKRZSA-N 1 0 375.922 2.697 20 0 GFADRO C[NH+](C)C[C@@H](NCc1nnn(CC(F)(F)F)n1)c1ccc(Cl)c(Cl)c1 ZINC000528767669 564803019 /nfs/dbraw/zinc/80/30/19/564803019.db2.gz POHIVBMGNXZZHX-GFCCVEGCSA-N 1 0 397.232 2.935 20 0 GFADRO OC[C@]1([C@H]([NH2+]C[C@H](O)COc2ccc(Cl)cc2Cl)C2CC2)CCCO1 ZINC000555759960 564804345 /nfs/dbraw/zinc/80/43/45/564804345.db2.gz ZSXCRUCDWMMYAD-QGTPRVQTSA-N 1 0 390.307 2.643 20 0 GFADRO C[C@H]1CCCc2nc(S(=O)(=O)N(CC[NH+](C)C)Cc3cccs3)cn21 ZINC000581477268 564804425 /nfs/dbraw/zinc/80/44/25/564804425.db2.gz JOHBJJJFHAOHSD-AWEZNQCLSA-N 1 0 382.555 2.594 20 0 GFADRO Cc1oc(-c2ccsc2)nc1CN1CCCN(S(=O)(=O)C2CC2)CC1 ZINC000581501161 564805094 /nfs/dbraw/zinc/80/50/94/564805094.db2.gz JCUVENVFJWVLTE-UHFFFAOYSA-N 1 0 381.523 2.711 20 0 GFADRO C[C@@H](C(=O)N(C)Cc1c(F)cccc1Cl)N1CC[C@H]2CC[C@@H](C1)[S@@]2=O ZINC000528784279 564805253 /nfs/dbraw/zinc/80/52/53/564805253.db2.gz RBIWUYWYWQYGLC-WMJUZZJDSA-N 1 0 386.920 2.811 20 0 GFADRO CN(CC(=O)Nc1ccccc1Br)C(=O)c1ccc2c[nH+]cn2c1 ZINC000555838608 564805945 /nfs/dbraw/zinc/80/59/45/564805945.db2.gz ZLRSYRDHQWQZPG-UHFFFAOYSA-N 1 0 387.237 2.808 20 0 GFADRO CC[NH+]1CCN(CC(=O)N2CCC[C@H]2c2cccc(Br)c2)CC1 ZINC000461880743 564806769 /nfs/dbraw/zinc/80/67/69/564806769.db2.gz BMXLVVCOTFZCHW-KRWDZBQOSA-N 1 0 380.330 2.750 20 0 GFADRO O=S(=O)(N[C@@H]1C[C@H]1C1CC[NH2+]CC1)c1ccc(Br)cc1Cl ZINC000461905986 564808439 /nfs/dbraw/zinc/80/84/39/564808439.db2.gz DJANZGWZUJOBRK-WCQYABFASA-N 1 0 393.734 2.769 20 0 GFADRO C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)C(=O)NCc1ccsc1 ZINC000556019908 564810462 /nfs/dbraw/zinc/81/04/62/564810462.db2.gz GXGIAJZQIFAYCO-UHFFFAOYSA-N 1 0 379.913 2.608 20 0 GFADRO COC(=O)c1cc(Br)cc(C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)c1 ZINC000462028801 564811576 /nfs/dbraw/zinc/81/15/76/564811576.db2.gz GFJJNBHMAACWPI-MRXNPFEDSA-N 1 0 395.297 2.936 20 0 GFADRO COc1cc(C[NH2+][C@H]2CCO[C@@H](c3nccn3C)C2)c(Br)cc1O ZINC000556156252 564814215 /nfs/dbraw/zinc/81/42/15/564814215.db2.gz UDXRHDIWYHXHRV-BLLLJJGKSA-N 1 0 396.285 2.907 20 0 GFADRO CCCOc1ncccc1C[NH2+][C@H](C)Cn1cc(Br)ccc1=O ZINC000556233251 564815440 /nfs/dbraw/zinc/81/54/40/564815440.db2.gz HNSHEBOTAPLYHJ-CYBMUJFWSA-N 1 0 380.286 2.973 20 0 GFADRO CC[N@@H+]1CCC[C@H](CNS(=O)(=O)CCc2ccccc2Br)C1 ZINC000462072853 564815693 /nfs/dbraw/zinc/81/56/93/564815693.db2.gz GRGHBEJLBFJNAL-CQSZACIVSA-N 1 0 389.359 2.643 20 0 GFADRO CN(CC1CC[NH+](C)CC1)S(=O)(=O)CCc1ccccc1Br ZINC000462096388 564818798 /nfs/dbraw/zinc/81/87/98/564818798.db2.gz IOPFYWXPIXDZHL-UHFFFAOYSA-N 1 0 389.359 2.595 20 0 GFADRO [NH3+][C@H]1CCc2ncc(NC(=O)c3csc(I)c3)cc2C1 ZINC000581879138 564821639 /nfs/dbraw/zinc/82/16/39/564821639.db2.gz OYVXKFJKOHOCLR-JTQLQIEISA-N 1 0 399.257 2.816 20 0 GFADRO CC1(C)[NH2+]CC[C@@H]1NC(=O)CCc1nc(-c2cc(Br)cs2)no1 ZINC000581924718 564822476 /nfs/dbraw/zinc/82/24/76/564822476.db2.gz JRKFGEITDXGHQY-NSHDSACASA-N 1 0 399.314 2.750 20 0 GFADRO C[C@@H](Cc1ccc(Br)c(F)c1)[NH2+]C1CCC2(CC1)NC(=O)NC2=O ZINC000581911334 564822884 /nfs/dbraw/zinc/82/28/84/564822884.db2.gz PBQGTADOTRQHLP-JJMSQDNMSA-N 1 0 398.276 2.630 20 0 GFADRO COC(=O)c1cc(Br)cc(C(=O)N2CCC(C[NH+](C)C)CC2)c1 ZINC000462146738 564824268 /nfs/dbraw/zinc/82/42/68/564824268.db2.gz PUEZFIFNJCHQJI-UHFFFAOYSA-N 1 0 383.286 2.650 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC000581952467 564824612 /nfs/dbraw/zinc/82/46/12/564824612.db2.gz LSHFHXYNNDGGKI-UHFFFAOYSA-N 1 0 396.329 2.934 20 0 GFADRO CC[NH+](CC)C[C@@H](C)NC(=O)NCc1cc(Br)cc2c1OCC2 ZINC000462200486 564826195 /nfs/dbraw/zinc/82/61/95/564826195.db2.gz GPIFEZCVXDSQNC-GFCCVEGCSA-N 1 0 384.318 2.914 20 0 GFADRO CC[C@@H](C)[N@H+](C)CCNC(=O)NCc1cc(Br)cc2c1OCC2 ZINC000462194477 564826516 /nfs/dbraw/zinc/82/65/16/564826516.db2.gz HXRDVZJXBDRARO-GFCCVEGCSA-N 1 0 384.318 2.914 20 0 GFADRO C[C@@H](NC(=O)C[NH2+][C@H](CO)C1CCOCC1)c1ccc(Cl)cc1Cl ZINC000582082512 564830454 /nfs/dbraw/zinc/83/04/54/564830454.db2.gz MXVXXKXFZQSKOR-BDJLRTHQSA-N 1 0 375.296 2.548 20 0 GFADRO COc1ccc(Br)cc1CN(C)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000529359411 564830909 /nfs/dbraw/zinc/83/09/09/564830909.db2.gz RFZOMHPGWCEHAF-HNNXBMFYSA-N 1 0 382.302 2.884 20 0 GFADRO Cc1cscc1C[NH2+][C@@H](C)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000494502448 564830987 /nfs/dbraw/zinc/83/09/87/564830987.db2.gz FFTHDWZPQWKNTN-HNNXBMFYSA-N 1 0 380.535 2.928 20 0 GFADRO O=S(=O)(N[C@H]1CC[N@@H+](C2CCCC2)C1)c1ccc(Br)c(F)c1 ZINC000462280883 564831034 /nfs/dbraw/zinc/83/10/34/564831034.db2.gz YAMNRTZBKTXZJQ-NSHDSACASA-N 1 0 391.306 2.883 20 0 GFADRO O=C(NC[C@H]1COCC[NH2+]1)NC1(c2ccccc2Br)CCCCC1 ZINC000529390748 564833378 /nfs/dbraw/zinc/83/33/78/564833378.db2.gz VUFJYMNYMMPUBC-AWEZNQCLSA-N 1 0 396.329 2.896 20 0 GFADRO C[NH+](C)C[C@@H](CNS(=O)(=O)CCC1CCOCC1)c1ccc(Cl)cc1 ZINC000582185574 564834186 /nfs/dbraw/zinc/83/41/86/564834186.db2.gz QVWXNKAXWWHBQT-QGZVFWFLSA-N 1 0 388.961 2.721 20 0 GFADRO O=S(=O)(c1ccc(Br)c(F)c1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000462333790 564834386 /nfs/dbraw/zinc/83/43/86/564834386.db2.gz KPCFZSPUDHJYTB-GFCCVEGCSA-N 1 0 391.306 2.695 20 0 GFADRO Brc1cccc(Cc2noc(CN3CC[C@]4(CC[NH2+]C4)C3)n2)c1 ZINC000462388225 564836144 /nfs/dbraw/zinc/83/61/44/564836144.db2.gz KBCVMZZTIHHFAS-KRWDZBQOSA-N 1 0 377.286 2.608 20 0 GFADRO CC(=O)N[C@@H](CC(=O)N[C@H](C)CCCC[NH3+])c1ccc(Br)cc1 ZINC000494668944 564836295 /nfs/dbraw/zinc/83/62/95/564836295.db2.gz AGZXTQPNHAIGAW-WBMJQRKESA-N 1 0 384.318 2.650 20 0 GFADRO O=C([C@H]1CC[NH2+]1)N(Cc1ccccn1)Cc1ccc(Br)cc1F ZINC000582239522 564837041 /nfs/dbraw/zinc/83/70/41/564837041.db2.gz JBJLZHWUMPNQLT-MRXNPFEDSA-N 1 0 378.245 2.874 20 0 GFADRO O=S(=O)(c1cc(Br)sc1Cl)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000462393314 564837329 /nfs/dbraw/zinc/83/73/29/564837329.db2.gz XKBDHOVNOFTSLX-NSHDSACASA-N 1 0 385.736 2.538 20 0 GFADRO C[N@@H+]1CCC[C@@H](CCNC(=O)Cc2cc3c(cc2Br)OCCO3)C1 ZINC000556733966 564837390 /nfs/dbraw/zinc/83/73/90/564837390.db2.gz FHGYBLKBGUEDBF-ZDUSSCGKSA-N 1 0 397.313 2.611 20 0 GFADRO C[C@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1ccc(Br)c(F)c1 ZINC000462424655 564839045 /nfs/dbraw/zinc/83/90/45/564839045.db2.gz ZTRCSZIHKFDSBQ-NSHDSACASA-N 1 0 379.295 2.741 20 0 GFADRO O=C([C@@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000494882543 564843100 /nfs/dbraw/zinc/84/31/00/564843100.db2.gz ZTKMYIASQFXBMZ-HSMVNMDESA-N 1 0 382.291 2.557 20 0 GFADRO COC[C@]1(CO)CC[N@H+](Cc2c[nH]nc2-c2ccc(Br)s2)C1 ZINC000529594669 564844179 /nfs/dbraw/zinc/84/41/79/564844179.db2.gz FKYHTXYJYYQDDG-OAHLLOKOSA-N 1 0 386.315 2.732 20 0 GFADRO Cc1c(S(=O)(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)cnn1-c1ccc(Cl)cc1 ZINC000462502518 564844466 /nfs/dbraw/zinc/84/44/66/564844466.db2.gz NRBHWGHDFFZGAW-IUODEOHRSA-N 1 0 382.917 2.595 20 0 GFADRO C[C@@H](NC(=O)N1CCC[C@H](C[NH3+])C1)c1cc2c(cc1Br)OCCO2 ZINC000582409493 564845865 /nfs/dbraw/zinc/84/58/65/564845865.db2.gz LKYZIEACVZOKIA-VXGBXAGGSA-N 1 0 398.301 2.662 20 0 GFADRO COc1cc(Br)c(CN2CCC(C)([NH+]3CCOCC3)CC2)cc1O ZINC000529663905 564845948 /nfs/dbraw/zinc/84/59/48/564845948.db2.gz MPUGFYYZSLTHKJ-UHFFFAOYSA-N 1 0 399.329 2.850 20 0 GFADRO O=C(c1cc(Cl)c(Br)cc1F)N1CCN(c2ncc[nH]2)CC1 ZINC000582430010 564846485 /nfs/dbraw/zinc/84/64/85/564846485.db2.gz LEHSNPQBDXSOKZ-UHFFFAOYSA-N 1 0 387.640 2.927 20 0 GFADRO C[C@@H]([NH2+]C[C@H]1CCCCN1S(C)(=O)=O)c1nc2ccc(Cl)cc2n1C ZINC000556922462 564846809 /nfs/dbraw/zinc/84/68/09/564846809.db2.gz BWSIRLFFJRTLCV-TZMCWYRMSA-N 1 0 384.933 2.691 20 0 GFADRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)N1CCOc2ccc(Br)cc2C1 ZINC000556970985 564849019 /nfs/dbraw/zinc/84/90/19/564849019.db2.gz WRDQOSUQMCHRHX-HOTGVXAUSA-N 1 0 394.313 2.980 20 0 GFADRO Cc1cccc2c1OC[C@H]([NH2+][C@H](C(N)=O)c1ccc(Br)cc1)C2 ZINC000582519453 564850297 /nfs/dbraw/zinc/85/02/97/564850297.db2.gz MEPFVAZDMWGINQ-CVEARBPZSA-N 1 0 375.266 2.877 20 0 GFADRO O=C1N[C@@H](CC(F)(F)F)C(=O)N1CC1([NH+]2CCSCC2)CCCCC1 ZINC000582523644 564850487 /nfs/dbraw/zinc/85/04/87/564850487.db2.gz NALLEMIOYOELJK-LBPRGKRZSA-N 1 0 379.448 2.611 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)Nc2ccc(-c3ccc(Br)s3)nn2)C1 ZINC000582534485 564851002 /nfs/dbraw/zinc/85/10/02/564851002.db2.gz BGBJOLUNRVKYSY-VHSXEESVSA-N 1 0 396.314 3.169 20 0 GFADRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)Cc1ccc(I)cc1 ZINC000557117055 564855112 /nfs/dbraw/zinc/85/51/12/564855112.db2.gz VZUMOJOIPFKGCY-CZUORRHYSA-N 1 0 398.288 2.919 20 0 GFADRO CS[C@H]1CN(C(=O)c2cc(F)c(F)cc2Br)C[C@H]1[NH+](C)C ZINC000495683120 564856031 /nfs/dbraw/zinc/85/60/31/564856031.db2.gz WIAZILCYMMHQOF-OLZOCXBDSA-N 1 0 379.270 2.845 20 0 GFADRO Brc1cc2c(cc1CN1CCC[C@H]([NH+]3CCOCC3)CC1)OCO2 ZINC000582656753 564856685 /nfs/dbraw/zinc/85/66/85/564856685.db2.gz PZFWBHVPYJCSBK-HNNXBMFYSA-N 1 0 397.313 2.865 20 0 GFADRO C[C@H]1[C@@H](NC(=O)NCc2cc(Br)cc3c2OCC3)CCC[N@@H+]1C ZINC000462713931 564857157 /nfs/dbraw/zinc/85/71/57/564857157.db2.gz JIKWHSDHCHPQOX-NHYWBVRUSA-N 1 0 382.302 2.666 20 0 GFADRO Cc1c(Br)cccc1CNC(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000582675173 564857532 /nfs/dbraw/zinc/85/75/32/564857532.db2.gz ZVRHFUCJHKEXSN-UHFFFAOYSA-N 1 0 397.361 2.583 20 0 GFADRO CCC[N@@H+]1CC[C@@H](CNc2ncnc3ccc(I)cc32)C1 ZINC000462792414 564858607 /nfs/dbraw/zinc/85/86/07/564858607.db2.gz WGFCPONFDSUPNU-LBPRGKRZSA-N 1 0 396.276 3.378 20 0 GFADRO CCC[N@@H+]1CC[C@H](CNc2ncnc3ccc(I)cc32)C1 ZINC000462792413 564858667 /nfs/dbraw/zinc/85/86/67/564858667.db2.gz WGFCPONFDSUPNU-GFCCVEGCSA-N 1 0 396.276 3.378 20 0 GFADRO CN(C[C@@H]1CC[N@H+](C)C1)c1ncnc2ccc(I)cc21 ZINC000462829091 564859034 /nfs/dbraw/zinc/85/90/34/564859034.db2.gz WUAZUYAAIBEHQX-LLVKDONJSA-N 1 0 382.249 2.622 20 0 GFADRO CCN1C[C@H](C)[C@H]([NH2+][C@H]2CCN(c3ccc(Br)c(C)c3)C2=O)C1 ZINC000462842404 564859602 /nfs/dbraw/zinc/85/96/02/564859602.db2.gz QVLQGIMMYIHIOV-RRQGHBQHSA-N 1 0 380.330 2.793 20 0 GFADRO O=C(NC[C@@H]1CC[N@@H+]1C1CCCC1)c1cn2ccc(Br)cc2n1 ZINC000530028649 564860646 /nfs/dbraw/zinc/86/06/46/564860646.db2.gz QDSSOYSQVPGVRE-AWEZNQCLSA-N 1 0 377.286 2.844 20 0 GFADRO C[C@H](Cn1cc(Br)cn1)Nc1cccc(C[N@@H+]2CC[C@@H](O)C2)c1 ZINC000462852112 564860694 /nfs/dbraw/zinc/86/06/94/564860694.db2.gz FLXSFELWWWVWNN-CXAGYDPISA-N 1 0 379.302 2.713 20 0 GFADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cc(Br)cn3C)n2C)C[C@H]1C ZINC000557526053 564865960 /nfs/dbraw/zinc/86/59/60/564865960.db2.gz TTXJODNQNMVHRJ-NEPJUHHUSA-N 1 0 381.322 2.502 20 0 GFADRO CC[NH+](CC)CC[C@H](CO)NC(=O)Nc1ccc(OC)c(Br)c1 ZINC000497444778 564867482 /nfs/dbraw/zinc/86/74/82/564867482.db2.gz RGPHAQUSJMSKRD-CYBMUJFWSA-N 1 0 388.306 2.672 20 0 GFADRO C[C@@H]1C[N@H+](C)C[C@@H]1c1nc(Cc2cc(Br)c3c(c2)OCCO3)no1 ZINC000463051390 564867954 /nfs/dbraw/zinc/86/79/54/564867954.db2.gz DPKUZJHBOVELHP-PWSUYJOCSA-N 1 0 394.269 2.859 20 0 GFADRO Brc1cnc(C2CC2)nc1N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530175302 564869819 /nfs/dbraw/zinc/86/98/19/564869819.db2.gz QQBVTGGCEMCLBY-AWEZNQCLSA-N 1 0 381.318 2.711 20 0 GFADRO CC[C@@H](C(=O)NCCn1cc(Br)cn1)[N@H+](C)Cc1ccccc1 ZINC000557686517 564872165 /nfs/dbraw/zinc/87/21/65/564872165.db2.gz OTEUKYNDKPJXHV-INIZCTEOSA-N 1 0 379.302 2.672 20 0 GFADRO Fc1cc(CN[C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)c(F)cc1Br ZINC000530219935 564872625 /nfs/dbraw/zinc/87/26/25/564872625.db2.gz LLINAJXURNZGET-KNXALSJPSA-N 1 0 375.257 2.974 20 0 GFADRO C[C@@H](NC[C@@H]1COCC[NH2+]1)c1ccc(Br)cc1Br ZINC000530220156 564872766 /nfs/dbraw/zinc/87/27/66/564872766.db2.gz JGKCESCDTXOSHL-MWLCHTKSSA-N 1 0 378.108 2.851 20 0 GFADRO CC[NH+]1CCC(CNc2c(Br)cccc2S(C)(=O)=O)CC1 ZINC000557703864 564873110 /nfs/dbraw/zinc/87/31/10/564873110.db2.gz WCOBNVFVLSSDGZ-UHFFFAOYSA-N 1 0 375.332 2.996 20 0 GFADRO CC(=O)N1CC[C@H]([NH2+]Cc2cc(Br)cc(Br)c2N)C1 ZINC000463234208 564873830 /nfs/dbraw/zinc/87/38/30/564873830.db2.gz IQTRINVLQJHKHS-NSHDSACASA-N 1 0 391.107 2.504 20 0 GFADRO CCS(=O)(=O)c1cccc(C[NH2+]C2CCN(CCC(F)(F)F)CC2)c1 ZINC000463246231 564874064 /nfs/dbraw/zinc/87/40/64/564874064.db2.gz VDTBZGOVQGQPEK-UHFFFAOYSA-N 1 0 378.460 2.987 20 0 GFADRO Cc1cc(NC(=O)c2ncccc2Br)n(C2CC[NH+](C)CC2)n1 ZINC000530300387 564875137 /nfs/dbraw/zinc/87/51/37/564875137.db2.gz FSUWMXUVVOFUAG-UHFFFAOYSA-N 1 0 378.274 2.868 20 0 GFADRO C[C@@H]([NH2+][C@H]1CCN(C2CC2)C1=O)c1ccc(Br)cc1OCCCO ZINC000463358587 564876118 /nfs/dbraw/zinc/87/61/18/564876118.db2.gz FIXFYHVNKSSPTP-WBMJQRKESA-N 1 0 397.313 2.624 20 0 GFADRO CO[C@@H]([C@H](C)[NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1)C1CC1 ZINC000583140053 564877779 /nfs/dbraw/zinc/87/77/79/564877779.db2.gz JXXURAMKOHOPKD-JJMVLAAESA-N 1 0 376.266 2.731 20 0 GFADRO C[C@H](CNS(=O)(=O)Cc1cccc(Br)c1)C[NH+]1CCCC1 ZINC000557805140 564877845 /nfs/dbraw/zinc/87/78/45/564877845.db2.gz SJNYDAQXEUZRQC-CYBMUJFWSA-N 1 0 375.332 2.600 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)Cc2cccc(Br)c2)[C@@H](C)C1 ZINC000557825512 564879005 /nfs/dbraw/zinc/87/90/05/564879005.db2.gz GBIFXFMERSFISY-BBRMVZONSA-N 1 0 389.359 2.941 20 0 GFADRO CSCC[C@@H]([NH3+])C(=O)N1CCC([C@@H]2c3ccc(Cl)cc3NC2=O)CC1 ZINC000497938554 564880576 /nfs/dbraw/zinc/88/05/76/564880576.db2.gz NAKHHDKQKWOHFY-GDBMZVCRSA-N 1 0 381.929 2.695 20 0 GFADRO Cn1cncc1CC[NH2+]C1CCN(Cc2ccccc2Br)CC1 ZINC000530460129 564882601 /nfs/dbraw/zinc/88/26/01/564882601.db2.gz FFCPGIWKQPINAO-UHFFFAOYSA-N 1 0 377.330 2.979 20 0 GFADRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1S(=O)(=O)c1ccc(F)c(Br)c1 ZINC000557854655 564882893 /nfs/dbraw/zinc/88/28/93/564882893.db2.gz YANYKKPSRAKMRP-XHDPSFHLSA-N 1 0 391.306 2.836 20 0 GFADRO O=C(NCC[NH+]1CCCC1)c1c(Cl)cccc1I ZINC000463500407 564883190 /nfs/dbraw/zinc/88/31/90/564883190.db2.gz KYFPBDHNJBRAJZ-UHFFFAOYSA-N 1 0 378.641 2.770 20 0 GFADRO C[N@@H+]1CCC[C@H]1CNC(=O)c1c(Cl)cccc1I ZINC000463528057 564884425 /nfs/dbraw/zinc/88/44/25/564884425.db2.gz SIWQMANWWIUHOZ-VIFPVBQESA-N 1 0 378.641 2.769 20 0 GFADRO CN1CCO[C@H](CSCC(=O)N(Cc2ccccc2)CC(F)(F)F)C1 ZINC000583321437 564886490 /nfs/dbraw/zinc/88/64/90/564886490.db2.gz JADJJELGZIUFNK-HNNXBMFYSA-N 1 0 376.444 2.641 20 0 GFADRO Brc1ccc(C[NH2+]CCOC[C@@H]2CCCO2)c(N2CCOCC2)c1 ZINC000530547288 564887560 /nfs/dbraw/zinc/88/75/60/564887560.db2.gz GDPVHJPXCHWONT-KRWDZBQOSA-N 1 0 399.329 2.571 20 0 GFADRO Cc1cc(S(=O)(=O)N(CC[NH+](C)C)CC(=O)OC(C)(C)C)sc1Cl ZINC000530544392 564887663 /nfs/dbraw/zinc/88/76/63/564887663.db2.gz HHCRXSWHTWWRGZ-UHFFFAOYSA-N 1 0 396.962 2.604 20 0 GFADRO COC(=O)C[C@@]1([NH2+]Cc2ccc(OC(F)F)c(Br)c2)CCOC1 ZINC000463700169 564887785 /nfs/dbraw/zinc/88/77/85/564887785.db2.gz UWUSFAWNNJDCOM-HNNXBMFYSA-N 1 0 394.212 2.862 20 0 GFADRO C[C@H](NC(=O)c1cccs1)C(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000530590114 564888150 /nfs/dbraw/zinc/88/81/50/564888150.db2.gz CBLDLXWIIPMAQF-SWLSCSKDSA-N 1 0 379.913 2.939 20 0 GFADRO O=C(CNC(=O)NCCC[NH+]1CCCCC1)Nc1cccc(Br)c1 ZINC000498126018 564889252 /nfs/dbraw/zinc/88/92/52/564889252.db2.gz MBBROKAPTACAEN-UHFFFAOYSA-N 1 0 397.317 2.563 20 0 GFADRO C[C@H](CCC[NH3+])NS(=O)(=O)c1cccc(COCC(F)(F)C(F)F)c1 ZINC000583381029 564889315 /nfs/dbraw/zinc/88/93/15/564889315.db2.gz SGNHJPVTROUNQN-LLVKDONJSA-N 1 0 386.411 2.509 20 0 GFADRO CN(CCn1cc(Br)cn1)C(=O)c1cccc(Cn2ccnc2)c1 ZINC000583406362 564889822 /nfs/dbraw/zinc/88/98/22/564889822.db2.gz CESYXOZRBWZSDV-UHFFFAOYSA-N 1 0 388.269 2.663 20 0 GFADRO CC(C)Sc1ccc(Cl)cc1NC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000583452381 564892453 /nfs/dbraw/zinc/89/24/53/564892453.db2.gz GNHOQUMMOBOIMA-STQMWFEESA-N 1 0 382.917 2.616 20 0 GFADRO CC(C)(C)[C@@H](O)C[NH+]1CCN(C(=O)COc2ccc(Cl)cc2Cl)CC1 ZINC000583458696 564893191 /nfs/dbraw/zinc/89/31/91/564893191.db2.gz RIULIMBSFXZWPE-INIZCTEOSA-N 1 0 389.323 2.923 20 0 GFADRO CC[N@@H+]1C[C@H](C)N(C(=O)NCc2cn3cc(Br)ccc3n2)C[C@@H]1C ZINC000498249531 564893391 /nfs/dbraw/zinc/89/33/91/564893391.db2.gz FDTFSEPKFULXNI-STQMWFEESA-N 1 0 394.317 2.721 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)C(=O)NCCCc2ccc(Cl)cc2Cl)CC[N@@H+]1C ZINC000558207596 564895511 /nfs/dbraw/zinc/89/55/11/564895511.db2.gz LXQCQPSEEWUTNO-DOMZBBRYSA-N 1 0 386.323 2.641 20 0 GFADRO CC[C@@H]1CC[C@@H]1[NH2+]CCNS(=O)(=O)c1cc(C)ccc1Br ZINC000558253747 564896429 /nfs/dbraw/zinc/89/64/29/564896429.db2.gz JHEBDMCTKNPYRH-OCCSQVGLSA-N 1 0 375.332 2.814 20 0 GFADRO CC[C@@H]([NH2+][C@@H]1CCCN(S(=O)(=O)N(C)C)C1)c1cc(Cl)ccc1OC ZINC000558255426 564896491 /nfs/dbraw/zinc/89/64/91/564896491.db2.gz GKZCOVXHIFZUHB-GDBMZVCRSA-N 1 0 389.949 2.660 20 0 GFADRO COC[C@@H]([NH2+]CCCNS(=O)(=O)c1ccccc1Cl)c1ccccc1 ZINC000558253544 564896516 /nfs/dbraw/zinc/89/65/16/564896516.db2.gz CWRILPHDVYBKES-QGZVFWFLSA-N 1 0 382.913 2.986 20 0 GFADRO CCOCCOc1ccc(Br)cc1C[NH2+][C@@H]1CCC[C@H]1C(=O)NC ZINC000498358939 564896844 /nfs/dbraw/zinc/89/68/44/564896844.db2.gz KVJXUVZNNVSYHS-HZPDHXFCSA-N 1 0 399.329 2.869 20 0 GFADRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+]Cc1cn(-c2ccc(Br)cc2)nc1C ZINC000498349944 564897197 /nfs/dbraw/zinc/89/71/97/564897197.db2.gz NIVYLSOMYOUHFS-IAGOWNOFSA-N 1 0 391.313 2.948 20 0 GFADRO CSc1ccc(S(=O)(=O)N2C[C@@H](SC)[C@@H]([NH+](C)C)C2)cc1Cl ZINC000464195393 564898485 /nfs/dbraw/zinc/89/84/85/564898485.db2.gz QCPCNAOCTBSVDC-GXTWGEPZSA-N 1 0 380.988 2.728 20 0 GFADRO COC(=O)[C@H](Cc1ccccc1)[C@H](C)[NH2+]Cc1c(Br)cnn1C ZINC000583646307 564900573 /nfs/dbraw/zinc/90/05/73/564900573.db2.gz RUNJBAAZPKFZDH-GXTWGEPZSA-N 1 0 380.286 2.693 20 0 GFADRO CC[C@H](NC(=O)c1ccc(C[NH+]2CCSCC2)cc1)[C@H](O)C(F)(F)F ZINC000498583201 564903357 /nfs/dbraw/zinc/90/33/57/564903357.db2.gz HSWSYAZHRLRWEN-GJZGRUSLSA-N 1 0 376.444 2.667 20 0 GFADRO CN(CC[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Br)C1CC1 ZINC000583688590 564903715 /nfs/dbraw/zinc/90/37/15/564903715.db2.gz QQXCFCDEWQZOKY-CYBMUJFWSA-N 1 0 377.710 2.526 20 0 GFADRO CN(CC[NH+]1CCCC1)C(=O)c1c(O)cnc2c(Br)cccc21 ZINC000583723333 564904625 /nfs/dbraw/zinc/90/46/25/564904625.db2.gz NHMYYPZETPBWLG-UHFFFAOYSA-N 1 0 378.270 2.871 20 0 GFADRO O[C@@H](C[NH2+]Cc1cn(-c2ccccc2Br)nn1)Cc1ccccc1 ZINC000558490789 564904698 /nfs/dbraw/zinc/90/46/98/564904698.db2.gz HORRLNZPSDECSK-MRXNPFEDSA-N 1 0 387.281 2.723 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)c2ccc(-n3cc(Br)cn3)cc2)C[N@@H+]1C1CC1 ZINC000531244103 564904813 /nfs/dbraw/zinc/90/48/13/564904813.db2.gz CFJRHWAUGMWVHS-IUODEOHRSA-N 1 0 389.297 2.990 20 0 GFADRO O=C(Nc1cc(Cl)ccc1C(F)(F)F)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000498753756 564908313 /nfs/dbraw/zinc/90/83/13/564908313.db2.gz QZRMOLOGVWKEFM-JTQLQIEISA-N 1 0 375.778 2.650 20 0 GFADRO Cc1nc(C)c(NC(=O)C(=O)NC[C@H](c2ccc(Cl)cc2)[NH+](C)C)s1 ZINC000531544704 564913133 /nfs/dbraw/zinc/91/31/33/564913133.db2.gz KESCQQXEKJEVIV-CQSZACIVSA-N 1 0 380.901 2.771 20 0 GFADRO C[NH2+][C@@H](CC(C)(C)C)C(=O)N(C)CC(=O)Nc1ccccc1Br ZINC000583932255 564913861 /nfs/dbraw/zinc/91/38/61/564913861.db2.gz DAUQURMTZZKWBJ-AWEZNQCLSA-N 1 0 384.318 2.870 20 0 GFADRO O=S(=O)(c1ccc(OC(F)F)c(Cl)c1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000583994033 564916028 /nfs/dbraw/zinc/91/60/28/564916028.db2.gz IUUCLBGQKHTEKX-LBPRGKRZSA-N 1 0 394.871 2.952 20 0 GFADRO COCCOC[C@H]1CC[N@H+](CC(=O)NCCc2cccc(Cl)c2Cl)C1 ZINC000464743838 564917586 /nfs/dbraw/zinc/91/75/86/564917586.db2.gz YYGZAGONHUHNRM-AWEZNQCLSA-N 1 0 389.323 2.637 20 0 GFADRO CC[C@H](NC(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1)[C@@H](O)C(F)(F)F ZINC000499087962 564917689 /nfs/dbraw/zinc/91/76/89/564917689.db2.gz CFRQIHRHCAKCSZ-SGMGOOAPSA-N 1 0 379.448 2.886 20 0 GFADRO CCN1CC[C@H]([NH2+]CCCNS(=O)(=O)CC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000558894280 564917872 /nfs/dbraw/zinc/91/78/72/564917872.db2.gz GJOZFPZDPLUAOC-DLBZAZTESA-N 1 0 391.940 2.533 20 0 GFADRO CSCC[C@H](CO)NC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000531743532 564919228 /nfs/dbraw/zinc/91/92/28/564919228.db2.gz UIQLWYMAKWPDGF-RHSMWYFYSA-N 1 0 385.961 2.890 20 0 GFADRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)N[C@@H](C)c2ncc(Br)cn2)C1 ZINC000584209618 564925013 /nfs/dbraw/zinc/92/50/13/564925013.db2.gz GYVAMAUFCZVOQJ-QWHCGFSZSA-N 1 0 384.322 2.720 20 0 GFADRO COCCN(CC[NH+](C)C)C(=O)CSc1cccc(Br)c1 ZINC000499378972 564925428 /nfs/dbraw/zinc/92/54/28/564925428.db2.gz QLOIHTGZPWVKAI-UHFFFAOYSA-N 1 0 375.332 2.578 20 0 GFADRO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)C(=O)NCc1ccc(Cl)cc1Cl ZINC000559342760 564930497 /nfs/dbraw/zinc/93/04/97/564930497.db2.gz IOIVUTDYPHHJCU-STQMWFEESA-N 1 0 386.323 2.989 20 0 GFADRO C[C@H](NC(=O)C[N@@H+]1CCC[C@H](CCC(N)=O)C1)c1ccc(Br)cc1 ZINC000559437004 564932813 /nfs/dbraw/zinc/93/28/13/564932813.db2.gz RXBLCVXCNAPMEL-UONOGXRCSA-N 1 0 396.329 2.604 20 0 GFADRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)c1cc(Br)cnc1N(C)C ZINC000499677219 564933606 /nfs/dbraw/zinc/93/36/06/564933606.db2.gz BELOMTHKPQRQHF-AWEZNQCLSA-N 1 0 383.334 2.904 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)N[C@@H]2CCN(c3ccc(Br)cc3)C2)CC[N@@H+]1C ZINC000465929111 564933722 /nfs/dbraw/zinc/93/37/22/564933722.db2.gz HGOVUKWIODWYIC-VNQPRFMTSA-N 1 0 395.345 2.810 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CNC(=O)N[C@@H]1CCN(c2ccccc2Br)C1 ZINC000465906515 564933820 /nfs/dbraw/zinc/93/38/20/564933820.db2.gz XTYXEEKHRICKMA-CABCVRRESA-N 1 0 395.345 2.811 20 0 GFADRO CC(C)[NH+]1CCN(C(=O)NC[C@H](C)Oc2cccc(Br)c2)CC1 ZINC000466308772 564937512 /nfs/dbraw/zinc/93/75/12/564937512.db2.gz SIIMPFXPYFZVFA-AWEZNQCLSA-N 1 0 384.318 2.952 20 0 GFADRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)NCc1cccc(Cl)c1Cl ZINC000559631108 564937420 /nfs/dbraw/zinc/93/74/20/564937420.db2.gz GIAYCKMWBOECLS-GFCCVEGCSA-N 1 0 386.323 2.798 20 0 GFADRO C[C@H](CNC(=O)N1CC[C@H]([NH+]2CC=CC2)C1)Oc1cccc(Br)c1 ZINC000466303520 564937735 /nfs/dbraw/zinc/93/77/35/564937735.db2.gz VAIUSBYAOVNXIN-ZBFHGGJFSA-N 1 0 394.313 2.872 20 0 GFADRO COc1cc(C)nc(C[NH2+]CCCNS(=O)(=O)c2ccccc2Cl)c1 ZINC000466382375 564939606 /nfs/dbraw/zinc/93/96/06/564939606.db2.gz XDEWIOSYVGVUOJ-UHFFFAOYSA-N 1 0 383.901 2.510 20 0 GFADRO CC[C@H]([NH2+]CCNS(=O)(=O)c1ccc(Cl)cc1F)C1CCOCC1 ZINC000559783949 564940061 /nfs/dbraw/zinc/94/00/61/564940061.db2.gz BPRZLJMDPJUHRP-HNNXBMFYSA-N 1 0 378.897 2.552 20 0 GFADRO O=C(NCc1c(Cl)cccc1Cl)C(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000559802652 564940397 /nfs/dbraw/zinc/94/03/97/564940397.db2.gz UYRTYZZISUJIIV-CYBMUJFWSA-N 1 0 384.307 2.743 20 0 GFADRO CO[C@@H](C)C[N@H+](CC(=O)Nc1ccc(I)cc1)C(C)C ZINC000532587605 564940819 /nfs/dbraw/zinc/94/08/19/564940819.db2.gz XKKRDDVQNMUZOR-LBPRGKRZSA-N 1 0 390.265 2.975 20 0 GFADRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)c2coc(Br)c2)CC1 ZINC000499956724 564941738 /nfs/dbraw/zinc/94/17/38/564941738.db2.gz NJINNAQYWNRIMD-ZIAGYGMSSA-N 1 0 384.318 2.673 20 0 GFADRO C[C@H](CNC(=O)c1cccc(F)c1I)[N@H+](C)C1CC1 ZINC000532754675 564944127 /nfs/dbraw/zinc/94/41/27/564944127.db2.gz RMCNSNTVSVROFN-SECBINFHSA-N 1 0 376.213 2.643 20 0 GFADRO O=S(=O)(NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1cc(Cl)ccc1F ZINC000560041717 564946374 /nfs/dbraw/zinc/94/63/74/564946374.db2.gz MRJKDMTYMRKFEH-JKSUJKDBSA-N 1 0 390.908 2.525 20 0 GFADRO CC(C)(C)[C@H](O)C[C@H](CO)[NH2+]Cc1cccc(I)c1 ZINC000560093938 564949529 /nfs/dbraw/zinc/94/95/29/564949529.db2.gz GLCWBAQIJQUUQH-ZIAGYGMSSA-N 1 0 377.266 2.539 20 0 GFADRO C[C@H](Oc1ccc(Br)cc1)C(=O)NCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000466981577 564951763 /nfs/dbraw/zinc/95/17/63/564951763.db2.gz UKAKBWJWUJUZEO-KKUMJFAQSA-N 1 0 399.329 2.832 20 0 GFADRO C[NH+](C)CCN(Cc1ccccn1)S(=O)(=O)c1ccc(Br)cc1 ZINC000500426118 564952984 /nfs/dbraw/zinc/95/29/84/564952984.db2.gz NHZOKTBNHXAECE-UHFFFAOYSA-N 1 0 398.326 2.597 20 0 GFADRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1cccc(F)c1I ZINC000533077195 564953848 /nfs/dbraw/zinc/95/38/48/564953848.db2.gz BMTNSVCVUKLZCH-MFKMUULPSA-N 1 0 390.240 2.843 20 0 GFADRO O=S1(=O)CCC(O)(C[NH2+]CCCCc2cccc(C(F)(F)F)c2)CC1 ZINC000560265641 564955309 /nfs/dbraw/zinc/95/53/09/564955309.db2.gz JNXQTVDBIYQLMY-UHFFFAOYSA-N 1 0 379.444 2.557 20 0 GFADRO C[N@@H+]1CCN(C(=O)c2ccc(F)c(I)c2)C(C)(C)C1 ZINC000500507367 564955810 /nfs/dbraw/zinc/95/58/10/564955810.db2.gz GINKODOWHDINKW-UHFFFAOYSA-N 1 0 376.213 2.597 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000467092507 564956139 /nfs/dbraw/zinc/95/61/39/564956139.db2.gz NWEYXRFXQVFHRI-WFASDCNBSA-N 1 0 394.313 2.603 20 0 GFADRO CCOc1c(Cl)cc(C[NH2+][C@H]2CCC[C@H]2CNS(C)(=O)=O)cc1OC ZINC000500571363 564956628 /nfs/dbraw/zinc/95/66/28/564956628.db2.gz OKMHOVDJAKOGBH-ZFWWWQNUSA-N 1 0 390.933 2.555 20 0 GFADRO C[N@H+](CC[C@@H]1CCCO1)C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000467146054 564956789 /nfs/dbraw/zinc/95/67/89/564956789.db2.gz BJBAGPRDGXAJSF-CABCVRRESA-N 1 0 376.266 2.829 20 0 GFADRO Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]2CNS(C)(=O)=O)c(Br)c1 ZINC000500570849 564956875 /nfs/dbraw/zinc/95/68/75/564956875.db2.gz MPLDCTMNBVVVOA-UKRRQHHQSA-N 1 0 375.332 2.565 20 0 GFADRO C[C@@H](Cc1cnccn1)[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000560344209 564958524 /nfs/dbraw/zinc/95/85/24/564958524.db2.gz JMJSLIZCCOYOJS-AWEZNQCLSA-N 1 0 391.313 2.797 20 0 GFADRO CC(C)[NH+]1CCC(N(C)Cc2cc(=O)n3cc(Br)ccc3n2)CC1 ZINC000533269647 564959768 /nfs/dbraw/zinc/95/97/68/564959768.db2.gz HAZBLDSTHORLJC-UHFFFAOYSA-N 1 0 393.329 2.762 20 0 GFADRO O=C(Cn1cc(Br)cn1)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000500912978 564965318 /nfs/dbraw/zinc/96/53/18/564965318.db2.gz ZVMVUTULCSFRTN-UHFFFAOYSA-N 1 0 383.334 2.760 20 0 GFADRO O=S(=O)(C1CC1)N1CCC[C@@H]([NH2+]Cc2cccc(OC(F)(F)F)c2)C1 ZINC000560503338 564965680 /nfs/dbraw/zinc/96/56/80/564965680.db2.gz LNLGYTGWHVZVMY-CYBMUJFWSA-N 1 0 378.416 2.631 20 0 GFADRO C[C@H]1C[C@H](NC(=O)c2cc(Br)cnc2OCC2CC2)C[N@@H+]1C1CC1 ZINC000560576616 564968207 /nfs/dbraw/zinc/96/82/07/564968207.db2.gz QCQMEADFCNZRIN-FZMZJTMJSA-N 1 0 394.313 2.988 20 0 GFADRO Cc1ncc(S(=O)(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)s1 ZINC000533634770 564968247 /nfs/dbraw/zinc/96/82/47/564968247.db2.gz PGILCLKFJXLUKW-ALOPSCKCSA-N 1 0 377.535 2.925 20 0 GFADRO C[C@@H]1COCC[C@H]1C[NH2+][C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000560582852 564969025 /nfs/dbraw/zinc/96/90/25/564969025.db2.gz KCONQTBTWRTREP-TYNCELHUSA-N 1 0 388.327 2.930 20 0 GFADRO CCCNC(=O)C[C@H](C(N)=O)[N@H+](CCC)Cc1ccc(Br)c(C)c1 ZINC000501064083 564969192 /nfs/dbraw/zinc/96/91/92/564969192.db2.gz NVRIVPOESJNYTH-MRXNPFEDSA-N 1 0 398.345 2.740 20 0 GFADRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1cc(=O)[nH]c2c(Br)cccc12 ZINC000467712049 564970202 /nfs/dbraw/zinc/97/02/02/564970202.db2.gz AVQXWMZRHVRUER-MEBBXXQBSA-N 1 0 390.281 2.915 20 0 GFADRO C[N@H+]1CC=C(CNC(=O)c2cc(Br)cnc2OCC2CC2)CC1 ZINC000560622922 564970691 /nfs/dbraw/zinc/97/06/91/564970691.db2.gz SZZKINICENVFNB-UHFFFAOYSA-N 1 0 380.286 2.625 20 0 GFADRO C[C@@H](CNC(=O)CCC[S@](=O)c1ccc(Br)cc1)C[NH+](C)C ZINC000560706784 564973370 /nfs/dbraw/zinc/97/33/70/564973370.db2.gz NFDXHKISMBMKLI-XMHCIUCPSA-N 1 0 389.359 2.651 20 0 GFADRO Cc1ncc(C[NH2+]CCCN(C2CC2)S(=O)(=O)c2cccc(F)c2)s1 ZINC000533803693 564973495 /nfs/dbraw/zinc/97/34/95/564973495.db2.gz YLNCXITVRHJOGJ-UHFFFAOYSA-N 1 0 383.514 2.924 20 0 GFADRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)Cc1ccccc1I ZINC000560760336 564974889 /nfs/dbraw/zinc/97/48/89/564974889.db2.gz MYERNPIMWHAAOH-DZGCQCFKSA-N 1 0 398.288 2.919 20 0 GFADRO C[C@@H](CC(F)(F)F)[NH2+][C@@H](C)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000468048204 564977689 /nfs/dbraw/zinc/97/76/89/564977689.db2.gz FRLFGWKRIAJMTF-STQMWFEESA-N 1 0 380.432 2.699 20 0 GFADRO C[N@@H+]1CCCC[C@@H]1CCC(=O)NC[C@H](O)COc1ccccc1Br ZINC000501358891 564977891 /nfs/dbraw/zinc/97/78/91/564977891.db2.gz BNFCCAZEVCWPBW-CABCVRRESA-N 1 0 399.329 2.570 20 0 GFADRO CSC[C@H]1CCC[N@@H+]1CC(=O)N(C)CC(=O)Nc1ccccc1SC ZINC000534360015 564986722 /nfs/dbraw/zinc/98/67/22/564986722.db2.gz UNONXGBHCWUSIC-CQSZACIVSA-N 1 0 381.567 2.633 20 0 GFADRO CC[C@@H]1CN(C(=O)c2ccc(C[NH+]3CCSCC3)cc2)C[C@H](C)[S@@]1=O ZINC000561201478 564987235 /nfs/dbraw/zinc/98/72/35/564987235.db2.gz BVLDCRRIKIESQJ-ZCWUUALQSA-N 1 0 380.579 2.607 20 0 GFADRO CC(C)Cc1ncnc(NCC2([NH+](C)C)CCC2)c1I ZINC000561303857 564990039 /nfs/dbraw/zinc/99/00/39/564990039.db2.gz LXEIMMXBUZIKTB-UHFFFAOYSA-N 1 0 388.297 3.176 20 0 GFADRO C[C@H](C[NH+]1CCOCC1)C(=O)NCC(C)(C)c1ccc(Br)cc1 ZINC000502035467 564990195 /nfs/dbraw/zinc/99/01/95/564990195.db2.gz WAJHECDCDOOKOY-CQSZACIVSA-N 1 0 383.330 2.811 20 0 GFADRO CC[C@@H](C)[N@H+](C)CCNS(=O)(=O)c1cc(F)c(Br)cc1F ZINC000534513674 564990562 /nfs/dbraw/zinc/99/05/62/564990562.db2.gz SCWKCZYWFNHKJL-SECBINFHSA-N 1 0 385.274 2.736 20 0 GFADRO Cc1ccc(Br)cc1-c1nnc(N2C[C@H]3OCC[N@@H+](C)[C@@H]3C2)s1 ZINC000468707687 564990639 /nfs/dbraw/zinc/99/06/39/564990639.db2.gz AUYXSJFHSRFGRI-ZIAGYGMSSA-N 1 0 395.326 2.795 20 0 GFADRO C[NH+]1CCN(c2cccc(C(=O)NCc3cccc(Br)c3)n2)CC1 ZINC000502076777 564990826 /nfs/dbraw/zinc/99/08/26/564990826.db2.gz IUVRUTVPFYMSQN-UHFFFAOYSA-N 1 0 389.297 2.526 20 0 GFADRO C[NH+]1CCN(c2cccc(C(=O)Nc3ccc(Br)cc3F)n2)CC1 ZINC000502064393 564991152 /nfs/dbraw/zinc/99/11/52/564991152.db2.gz JXPUCLILGOYRPN-UHFFFAOYSA-N 1 0 393.260 2.987 20 0 GFADRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)c1cncc(I)c1 ZINC000534560813 564991404 /nfs/dbraw/zinc/99/14/04/564991404.db2.gz KEWAMAISOSNCDL-VXGBXAGGSA-N 1 0 387.265 2.679 20 0 GFADRO C[C@@H](NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1)c1cccc(Cl)c1Cl ZINC000502231905 564994606 /nfs/dbraw/zinc/99/46/06/564994606.db2.gz NJTOVLWUTKCGSI-YPMHNXCESA-N 1 0 384.307 2.866 20 0 GFADRO CC[C@@H](CO)[NH+]1CCN(C(=O)CCOc2ccc(Cl)cc2Cl)CC1 ZINC000534713869 564994893 /nfs/dbraw/zinc/99/48/93/564994893.db2.gz JNUCSBKDKAPRCN-AWEZNQCLSA-N 1 0 375.296 2.677 20 0 GFADRO CC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CC(=O)Nc3ccc(Br)cc32)C1 ZINC000468866433 564996986 /nfs/dbraw/zinc/99/69/86/564996986.db2.gz GTJPBBHAEVXHFX-DOMZBBRYSA-N 1 0 394.313 2.723 20 0 GFADRO CO[C@H]1C[C@@H](CN(C)C(=O)N[C@@H](C)c2ccc(Br)s2)[N@H+](C)C1 ZINC000502421106 564997993 /nfs/dbraw/zinc/99/79/93/564997993.db2.gz VQSNYRGHJREEEL-SRVKXCTJSA-N 1 0 390.347 2.932 20 0 GFADRO C[NH+](C)C[C@](C)(O)CNC(=O)N[C@H](c1ccc(Br)cc1)C1CCC1 ZINC000502510240 565000534 /nfs/dbraw/zinc/00/05/34/565000534.db2.gz ORYMBRXMWBSBAI-FUHWJXTLSA-N 1 0 398.345 2.902 20 0 GFADRO C[C@@H](C[NH+](C)C)NS(=O)(=O)c1ccc(Br)c(C(F)(F)F)c1 ZINC000561548956 565001408 /nfs/dbraw/zinc/00/14/08/565001408.db2.gz SPZKFUYWUZZKHO-QMMMGPOBSA-N 1 0 389.237 2.696 20 0 GFADRO CC[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)N(C)CCC[NH+](C)C ZINC000561581537 565002867 /nfs/dbraw/zinc/00/28/67/565002867.db2.gz RVAGDHLSZLQPEW-HNNXBMFYSA-N 1 0 388.339 2.841 20 0 GFADRO COc1ccc(Br)cc1C[NH2+]CCC1CCS(=O)(=O)CC1 ZINC000535071949 565003693 /nfs/dbraw/zinc/00/36/93/565003693.db2.gz FGQUCKBOMMAKTB-UHFFFAOYSA-N 1 0 376.316 2.762 20 0 GFADRO C[NH+](C)CCn1nccc1NC(=O)[C@@H]1C[C@@H]1c1cccc(Br)c1 ZINC000561606834 565003762 /nfs/dbraw/zinc/00/37/62/565003762.db2.gz FIJQWOVSKSZPNM-HUUCEWRRSA-N 1 0 377.286 2.949 20 0 GFADRO COc1ccc(NC(=O)CC[N@@H+]2CCC[C@@H](S(C)(=O)=O)CC2)cc1Cl ZINC000502800904 565005369 /nfs/dbraw/zinc/00/53/69/565005369.db2.gz BTEYYRVVIKFDPG-CQSZACIVSA-N 1 0 388.917 2.576 20 0 GFADRO C[NH+]1CCC(O)(CNC(=O)c2cc(Br)cc(C(F)(F)F)c2)CC1 ZINC000535161402 565006621 /nfs/dbraw/zinc/00/66/21/565006621.db2.gz JZQJJFQCSIFLKX-UHFFFAOYSA-N 1 0 395.219 2.654 20 0 GFADRO CCC[C@@H]([NH2+]C(C)C)C(=O)N1CCNC(=O)[C@@H]1c1cccc(Br)c1 ZINC000502884295 565008372 /nfs/dbraw/zinc/00/83/72/565008372.db2.gz YZDXEBOVERJIGD-CVEARBPZSA-N 1 0 396.329 2.615 20 0 GFADRO COc1cc(C(=O)N2CCC(OCC[NH+](C)C)CC2)sc1Br ZINC000535396672 565012524 /nfs/dbraw/zinc/01/25/24/565012524.db2.gz DPVULJXZPBKPPA-UHFFFAOYSA-N 1 0 391.331 2.702 20 0 GFADRO CN(C)S(=O)(=O)N1CCCC[C@@H]1C[NH2+]CCCc1c(F)cccc1Cl ZINC000561983083 565014531 /nfs/dbraw/zinc/01/45/31/565014531.db2.gz RLVXRLYEBIKCOS-CQSZACIVSA-N 1 0 391.940 2.662 20 0 GFADRO COc1ccc(C[C@@H](CO)C[NH2+]Cc2ncc(Br)s2)cc1O ZINC000561980755 565014727 /nfs/dbraw/zinc/01/47/27/565014727.db2.gz KSUIONYFFHSGCD-LLVKDONJSA-N 1 0 387.299 2.561 20 0 GFADRO COc1cc(Cl)c(S(=O)(=O)N2C[C@@H](SC)[C@H]([NH+](C)C)C2)cc1Cl ZINC000503223604 565014696 /nfs/dbraw/zinc/01/46/96/565014696.db2.gz OAHLJUHYNYLZPW-DGCLKSJQSA-N 1 0 399.365 2.668 20 0 GFADRO COC(=O)[C@]1(C)C[N@H+](CC(=O)N[C@H](C)c2ccc(Br)cc2)C[C@H]1C ZINC000503239343 565015572 /nfs/dbraw/zinc/01/55/72/565015572.db2.gz KHVMVLSCQQPEIQ-SNUQEOBHSA-N 1 0 397.313 2.757 20 0 GFADRO CC[NH+]1CCN(CC(=O)NC(C)(C)Cc2ccc(Br)cc2)CC1 ZINC000469384966 565016471 /nfs/dbraw/zinc/01/64/71/565016471.db2.gz YHBFZULVKYQCQF-UHFFFAOYSA-N 1 0 382.346 2.524 20 0 GFADRO CS[C@@H]1CN(CC(=O)Nc2ccc(Br)c(C)c2)C[C@H]1[NH+](C)C ZINC000535666305 565017850 /nfs/dbraw/zinc/01/78/50/565017850.db2.gz RFIIATDGOKVIOV-HUUCEWRRSA-N 1 0 386.359 2.673 20 0 GFADRO Cc1[nH]c(=O)c(Br)cc1C(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000503495712 565020724 /nfs/dbraw/zinc/02/07/24/565020724.db2.gz GPIIHSZLJXLCMI-OAHLLOKOSA-N 1 0 378.270 2.891 20 0 GFADRO O[C@H](C[NH2+][C@@H]1CCC[C@H]1OC(F)F)COc1ccc(Br)cc1 ZINC000503526453 565022735 /nfs/dbraw/zinc/02/27/35/565022735.db2.gz OWHFLKLMNBBSJG-MRVWCRGKSA-N 1 0 380.229 2.939 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2C(=O)c1cccc(Br)c1F ZINC000469668410 565023845 /nfs/dbraw/zinc/02/38/45/565023845.db2.gz DIGBUPVMBWQUJT-KCPJHIHWSA-N 1 0 385.277 2.912 20 0 GFADRO C[C@@H]1CN(C(=O)c2cccc(Br)c2F)CCN1C1CC[NH+](C)CC1 ZINC000469738675 565025488 /nfs/dbraw/zinc/02/54/88/565025488.db2.gz YGFBNWOZRROZLB-CYBMUJFWSA-N 1 0 398.320 2.829 20 0 GFADRO C[C@H](C[N@H+](C)CCCS(=O)(=O)N(C)C)Oc1ccc(Cl)c(Cl)c1 ZINC000469753996 565025982 /nfs/dbraw/zinc/02/59/82/565025982.db2.gz ULFAVBQCRVFHRQ-GFCCVEGCSA-N 1 0 383.341 2.974 20 0 GFADRO O=C(CCCOc1ccccc1Br)NCCNc1cc[nH+]cc1 ZINC000536014522 565026863 /nfs/dbraw/zinc/02/68/63/565026863.db2.gz SWNMUEZNXCANPU-UHFFFAOYSA-N 1 0 378.270 2.653 20 0 GFADRO CCS[C@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1cc(S(C)(=O)=O)ccc1F ZINC000469781650 565027096 /nfs/dbraw/zinc/02/70/96/565027096.db2.gz WMLIOQKIYJITSK-ZBFHGGJFSA-N 1 0 388.530 2.822 20 0 GFADRO O=S(=O)(c1cccc(Cl)c1F)N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000469797675 565027343 /nfs/dbraw/zinc/02/73/43/565027343.db2.gz BZSMSDKBPXUXIA-CQSZACIVSA-N 1 0 390.908 2.745 20 0 GFADRO COC(=O)[C@@H](c1cc(Cl)cc(Cl)c1)N1CCC[N@@H+]([C@H](C)CO)CC1 ZINC000469866386 565030023 /nfs/dbraw/zinc/03/00/23/565030023.db2.gz PWZWTIVXCAWHLS-MLGOLLRUSA-N 1 0 375.296 2.596 20 0 GFADRO Cc1cnc(CC[NH2+][C@H]2CCS(=O)(=O)c3ccc(Br)cc32)cn1 ZINC000562567562 565033525 /nfs/dbraw/zinc/03/35/25/565033525.db2.gz FWMLRRSTDSNQQN-HNNXBMFYSA-N 1 0 396.310 2.598 20 0 GFADRO NC(=O)[C@H](Cc1ccccc1)[NH2+][C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000562586295 565034222 /nfs/dbraw/zinc/03/42/22/565034222.db2.gz ZLIFDYUVGLJPBI-AEFFLSMTSA-N 1 0 388.309 2.714 20 0 GFADRO NC(=O)[C@H](Cc1ccccc1)[NH2+][C@H]1CCN(c2cccc(Br)c2)C1 ZINC000562586300 565034420 /nfs/dbraw/zinc/03/44/20/565034420.db2.gz ZLIFDYUVGLJPBI-WMZOPIPTSA-N 1 0 388.309 2.714 20 0 GFADRO C[C@H]1CCC[N@H+](CCNC(=O)N[C@@H](CO)c2ccc(Br)cc2)C1 ZINC000504080534 565035010 /nfs/dbraw/zinc/03/50/10/565035010.db2.gz ILHKXCJTOOLEBL-BBRMVZONSA-N 1 0 384.318 2.514 20 0 GFADRO COCC[N@H+](C)CCNC(=O)N1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000470057202 565036428 /nfs/dbraw/zinc/03/64/28/565036428.db2.gz SERNWUVAWKKFLH-CQSZACIVSA-N 1 0 390.311 2.734 20 0 GFADRO C[C@H]1C[N@H+](CCCNC(=O)COc2c(Cl)cccc2Cl)CCCO1 ZINC000470055503 565036525 /nfs/dbraw/zinc/03/65/25/565036525.db2.gz JURXOXVYEXBCAC-ZDUSSCGKSA-N 1 0 375.296 2.989 20 0 GFADRO CS[C@H]1CN(CC(=O)Nc2ccc(C)cc2Br)C[C@@H]1[NH+](C)C ZINC000536472536 565038526 /nfs/dbraw/zinc/03/85/26/565038526.db2.gz NTPVXHOBNQQPDS-GJZGRUSLSA-N 1 0 386.359 2.673 20 0 GFADRO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)c2ccc(Br)cc2)C1 ZINC000470212457 565041641 /nfs/dbraw/zinc/04/16/41/565041641.db2.gz VLRJVYQHHFCXFA-CQSZACIVSA-N 1 0 379.298 2.822 20 0 GFADRO C[C@H](Cn1cc(Br)cn1)[NH2+][C@@H](Cc1ccccc1)[C@H](O)C(F)F ZINC000470256367 565042697 /nfs/dbraw/zinc/04/26/97/565042697.db2.gz URLGXAWQVGEVGG-UGFHNGPFSA-N 1 0 388.256 2.861 20 0 GFADRO C[C@H](NC(=O)N1CCC([C@@H]2[NH2+]CC2(C)C)CC1)c1ncc(Br)cn1 ZINC000562818492 565043845 /nfs/dbraw/zinc/04/38/45/565043845.db2.gz QWKLTNVWZIDIFI-FZMZJTMJSA-N 1 0 396.333 2.720 20 0 GFADRO O=C(NCCC1=CC[NH2+]CC1)N1CCO[C@H](c2cccc(Br)c2)C1 ZINC000562815995 565043876 /nfs/dbraw/zinc/04/38/76/565043876.db2.gz KTCISDRSKNSKDD-KRWDZBQOSA-N 1 0 394.313 2.842 20 0 GFADRO C[C@H](CNC(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)Oc1ccc(Br)cc1 ZINC000562804387 565043934 /nfs/dbraw/zinc/04/39/34/565043934.db2.gz CVCFZYXNOIMSHX-ORIJERBGSA-N 1 0 396.329 2.904 20 0 GFADRO O=C(c1ccc2c(c1)C[NH2+]C2)N1CCC(n2cc(Br)cn2)CC1 ZINC000470368944 565044039 /nfs/dbraw/zinc/04/40/39/565044039.db2.gz HHVFTSFLYSTKQX-UHFFFAOYSA-N 1 0 375.270 2.726 20 0 GFADRO C[C@H](NC(=O)N[C@H]1CCN(c2ccc(Br)cc2)C1)[C@H]1CCC[NH2+]C1 ZINC000562800472 565044029 /nfs/dbraw/zinc/04/40/29/565044029.db2.gz PLAVCBRPJXKJQW-DZKIICNBSA-N 1 0 395.345 2.715 20 0 GFADRO C[C@@]1(CNC(=O)N[C@@H]2CCOc3c(Br)cccc32)CCC[NH2+]C1 ZINC000562810726 565044062 /nfs/dbraw/zinc/04/40/62/565044062.db2.gz WWGKWJARQPPKGG-RHSMWYFYSA-N 1 0 382.302 2.962 20 0 GFADRO Cc1cc(C[NH+]2CCC([C@@]3(C)NC(=O)NC3=O)CC2)sc1Br ZINC000536667073 565044512 /nfs/dbraw/zinc/04/45/12/565044512.db2.gz YKMAYMSTLZLORI-OAHLLOKOSA-N 1 0 386.315 2.629 20 0 GFADRO C[NH+](C)C1(CNC(=O)c2cnn3cc(Br)cnc23)CCCCCC1 ZINC000536697685 565044828 /nfs/dbraw/zinc/04/48/28/565044828.db2.gz PWLRZRMJKAWCLX-UHFFFAOYSA-N 1 0 394.317 2.876 20 0 GFADRO COc1cc(Cl)c(CN2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)cc1Cl ZINC000536709799 565045678 /nfs/dbraw/zinc/04/56/78/565045678.db2.gz ODPPANKDRCXIOM-MRXNPFEDSA-N 1 0 386.323 2.740 20 0 GFADRO C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000470450312 565047078 /nfs/dbraw/zinc/04/70/78/565047078.db2.gz XLJPWIOFEYVWMM-UTUOFQBUSA-N 1 0 387.705 2.890 20 0 GFADRO C[C@H]([NH2+][C@@H]1CC(=O)N([C@H]2C[C@H]2C)C1)c1ccc(I)cc1 ZINC000536879904 565048534 /nfs/dbraw/zinc/04/85/34/565048534.db2.gz WAPNAELAPSBXLO-BVIHXZOGSA-N 1 0 384.261 2.951 20 0 GFADRO O=C(NCC[N@H+]1CC=CCC1)c1cn(Cc2ccc(Cl)cc2Cl)nn1 ZINC000562984610 565050465 /nfs/dbraw/zinc/05/04/65/565050465.db2.gz AYJVTBCIBWBWDR-UHFFFAOYSA-N 1 0 380.279 2.625 20 0 GFADRO O[C@@H](C[NH2+]CCCNc1ccccn1)COc1cccc(Br)c1 ZINC000562993896 565051271 /nfs/dbraw/zinc/05/12/71/565051271.db2.gz RCARHQQNTHWORO-HNNXBMFYSA-N 1 0 380.286 2.676 20 0 GFADRO CCCN(CCC[NH+](C)C)C(=O)CCNC(=O)c1ccc(Br)cc1 ZINC000470673132 565052287 /nfs/dbraw/zinc/05/22/87/565052287.db2.gz YLAFRKALRUUTDS-UHFFFAOYSA-N 1 0 398.345 2.759 20 0 GFADRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2cc3c(c(Cl)c2)OCO3)cc1 ZINC000537061863 565052499 /nfs/dbraw/zinc/05/24/99/565052499.db2.gz BEUWEXFAZIILES-NSHDSACASA-N 1 0 382.869 2.828 20 0 GFADRO C[N@@H+]1CCO[C@@H]2CCN(c3cc(C(F)(F)F)c(Br)cn3)C[C@H]21 ZINC000563035920 565052741 /nfs/dbraw/zinc/05/27/41/565052741.db2.gz IGXDTNMTFZGNFR-VXGBXAGGSA-N 1 0 380.208 2.772 20 0 GFADRO CC[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)C2([NH3+])CCC2)CC1 ZINC000563073942 565054789 /nfs/dbraw/zinc/05/47/89/565054789.db2.gz ZGBMUZYOZZZCMY-INIZCTEOSA-N 1 0 380.330 2.926 20 0 GFADRO [NH3+]C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)c1cccc(Cl)c1Cl)C2=O ZINC000563082068 565055345 /nfs/dbraw/zinc/05/53/45/565055345.db2.gz UYXDHGZAXWYPNS-QGHHPUGFSA-N 1 0 384.263 2.616 20 0 GFADRO O=S(=O)(c1ccc2cc(Br)ccc2c1)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000563129377 565057055 /nfs/dbraw/zinc/05/70/55/565057055.db2.gz RVXKNKLRSGLFSO-CABCVRRESA-N 1 0 395.322 2.832 20 0 GFADRO O=S(=O)(c1ccc(F)cc1Br)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000563130210 565057063 /nfs/dbraw/zinc/05/70/63/565057063.db2.gz VVLTWQXPMFGLHF-VXGBXAGGSA-N 1 0 391.306 2.598 20 0 GFADRO C[N@@H+]1CC[C@H]2CCN(C(=O)c3cccc(F)c3I)[C@H]2C1 ZINC000537611876 565060455 /nfs/dbraw/zinc/06/04/55/565060455.db2.gz SUJZNFPCPXPYGS-GWCFXTLKSA-N 1 0 388.224 2.597 20 0 GFADRO CC[NH+](CC)CC[C@@H](CO)NC(=O)CCc1ccc(Br)c(C)c1 ZINC000537718528 565062222 /nfs/dbraw/zinc/06/22/22/565062222.db2.gz QUHXYAMFUNWKOS-INIZCTEOSA-N 1 0 385.346 2.899 20 0 GFADRO [NH3+]CC12CCC(CC1)CN2C(=O)c1csc(I)c1 ZINC000584358351 565077674 /nfs/dbraw/zinc/07/76/74/565077674.db2.gz ZSMXBKUFXMBKOR-UHFFFAOYSA-N 1 0 376.263 2.696 20 0 GFADRO COCCN(Cc1cc(Br)cs1)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000635853375 565077781 /nfs/dbraw/zinc/07/77/81/565077781.db2.gz PHAQPUNDGONZOY-LBPRGKRZSA-N 1 0 375.332 2.827 20 0 GFADRO CN(C)CC[N@H+](C)CCCN(C)CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000584493474 565084100 /nfs/dbraw/zinc/08/41/00/565084100.db2.gz WTVFWXWJCNCOES-UHFFFAOYSA-N 1 0 375.344 2.747 20 0 GFADRO C[N@@H+]1CCC[C@H]1[C@H]1COCCN1C(=O)c1cc(F)c(Cl)c(N)c1Cl ZINC000635960922 565084545 /nfs/dbraw/zinc/08/45/45/565084545.db2.gz ZBUWNLNDZUOSGU-NWDGAFQWSA-N 1 0 376.259 2.650 20 0 GFADRO Fc1ccc(Br)c2c1CC[C@H]2NCc1nnc(C2CC[NH2+]CC2)[nH]1 ZINC000584524453 565085439 /nfs/dbraw/zinc/08/54/39/565085439.db2.gz FWRPZQWXMHEZCH-CQSZACIVSA-N 1 0 394.292 2.950 20 0 GFADRO CS[C@H]1CN(S(=O)(=O)c2ccc(F)c(Cl)c2)C[C@H]1[NH+]1CCCC1 ZINC000613984283 565089564 /nfs/dbraw/zinc/08/95/64/565089564.db2.gz LFZFDGAEBLMHNI-CABCVRRESA-N 1 0 378.922 2.679 20 0 GFADRO O=C(N[C@H]1C[C@@H]([NH+]2CCCC2)C1)C1=Cc2cc(Br)ccc2OC1 ZINC000636093467 565090119 /nfs/dbraw/zinc/09/01/19/565090119.db2.gz FVGOJMJVIUOFEG-IYBDPMFKSA-N 1 0 377.282 2.968 20 0 GFADRO CC(C)(C(=O)N[C@H]1C[C@@H]([NH+]2CCCC2)C1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000636101541 565090595 /nfs/dbraw/zinc/09/05/95/565090595.db2.gz MGLDSFLANWUJFN-GASCZTMLSA-N 1 0 384.929 2.635 20 0 GFADRO COc1cc(CNC(=O)[C@@H]2CC[N@@H+]2C2CCCC2)c(Br)cc1O ZINC000636109962 565091258 /nfs/dbraw/zinc/09/12/58/565091258.db2.gz BVUSXUSSRPIQMC-AWEZNQCLSA-N 1 0 383.286 2.796 20 0 GFADRO O=C(NCC1CC[NH+](C2CC2)CC1)c1cc(Br)cc2c1OCCO2 ZINC000614078486 565094118 /nfs/dbraw/zinc/09/41/18/565094118.db2.gz OSOZSOXRDCEEBB-UHFFFAOYSA-N 1 0 395.297 2.825 20 0 GFADRO Cc1c(Br)cncc1C[NH2+]Cc1ccc(NS(C)(=O)=O)cc1 ZINC000657313492 565095357 /nfs/dbraw/zinc/09/53/57/565095357.db2.gz HXFIJHHVPBUNFF-UHFFFAOYSA-N 1 0 384.299 2.814 20 0 GFADRO Cc1c(Br)cncc1CNC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000657306735 565095530 /nfs/dbraw/zinc/09/55/30/565095530.db2.gz UOSXWSVPAIHOLC-GOSISDBHSA-N 1 0 390.325 2.661 20 0 GFADRO Cc1cc(Br)cc(C[NH2+]C[C@@H]2CCCNC2=O)c1OC(F)F ZINC000657284201 565095705 /nfs/dbraw/zinc/09/57/05/565095705.db2.gz RCVRGMIQJIIRIJ-JTQLQIEISA-N 1 0 377.229 2.975 20 0 GFADRO O[C@@H](C[NH2+]Cc1ccnn1CC1CC1)COc1ccccc1Br ZINC000657398462 565100410 /nfs/dbraw/zinc/10/04/10/565100410.db2.gz CLRPREPQENRNDD-HNNXBMFYSA-N 1 0 380.286 2.585 20 0 GFADRO OC[C@@H](C[NH2+]Cc1cn(C2CCC2)nn1)Cc1ccccc1Br ZINC000657447915 565101637 /nfs/dbraw/zinc/10/16/37/565101637.db2.gz TUERSJGUGRPFAS-CYBMUJFWSA-N 1 0 379.302 2.706 20 0 GFADRO COCc1ccc(C[NH2+]CCNC(=O)c2ccc(Br)cn2)cc1 ZINC000657562859 565108888 /nfs/dbraw/zinc/10/88/88/565108888.db2.gz JLWBFRRDEYFROH-UHFFFAOYSA-N 1 0 378.270 2.510 20 0 GFADRO CO[C@H]1CCC[C@H]([NH2+]CC(=O)Nc2ccc(I)cc2)C1 ZINC000585743345 565108953 /nfs/dbraw/zinc/10/89/53/565108953.db2.gz MTUIJLABJLAKQN-KBPBESRZSA-N 1 0 388.249 2.777 20 0 GFADRO CCC(=O)N1CCC[N@H+](C[C@H](O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000614381157 565111063 /nfs/dbraw/zinc/11/10/63/565111063.db2.gz FXEXRFYGBCZGGL-ZDUSSCGKSA-N 1 0 375.296 2.677 20 0 GFADRO O=C(Cc1ccc(Br)cc1F)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000614451306 565113906 /nfs/dbraw/zinc/11/39/06/565113906.db2.gz PFZSVCQIPPTSRD-MRXNPFEDSA-N 1 0 399.304 2.844 20 0 GFADRO CC[C@H](Cc1cccc(Br)c1)C(=O)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000614507149 565116126 /nfs/dbraw/zinc/11/61/26/565116126.db2.gz NFYMPIDDWOZRCI-AEFFLSMTSA-N 1 0 394.357 2.524 20 0 GFADRO CCCC[N@H+](C)CCNC(=O)C(=O)Nc1ccc(F)c(Br)c1F ZINC000657651152 565116849 /nfs/dbraw/zinc/11/68/49/565116849.db2.gz SMFLTSDFSODNHI-UHFFFAOYSA-N 1 0 392.244 2.514 20 0 GFADRO Cc1cc(Br)cc(Cl)c1C(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000614504731 565116826 /nfs/dbraw/zinc/11/68/26/565116826.db2.gz ZHUFSTVAALHWMA-CYBMUJFWSA-N 1 0 386.721 2.531 20 0 GFADRO NC(=O)c1csc(CNCc2cc(Cl)ccc2OC[C@@H]2CCCO2)n1 ZINC000657685350 565119220 /nfs/dbraw/zinc/11/92/20/565119220.db2.gz CDYLJFDQJUWCMO-ZDUSSCGKSA-N 1 0 381.885 2.743 20 0 GFADRO C[N@@H+]1CC[C@H](C(=O)N(CCc2ccc(Cl)cc2)C[C@@H](O)C(F)(F)F)C1 ZINC000685863509 565128206 /nfs/dbraw/zinc/12/82/06/565128206.db2.gz OIMRTZKAXJZMEB-DZGCQCFKSA-N 1 0 378.822 2.586 20 0 GFADRO COc1cc(F)c(S(=O)(=O)NCCC[N@H+](C)C2CCCCC2)c(F)c1 ZINC000588624196 565134740 /nfs/dbraw/zinc/13/47/40/565134740.db2.gz MUBIPDRDHHAVPR-UHFFFAOYSA-N 1 0 376.469 2.906 20 0 GFADRO O=C(NCCC[NH2+][C@H]1CCCn2nccc21)c1cccc(Br)c1 ZINC000657865376 565134922 /nfs/dbraw/zinc/13/49/22/565134922.db2.gz TWZUGLHKWVOULB-HNNXBMFYSA-N 1 0 377.286 2.890 20 0 GFADRO CC[C@H](Cc1ccc(Br)cc1)[NH2+]CCCN1CCCS1(=O)=O ZINC000657913140 565137381 /nfs/dbraw/zinc/13/73/81/565137381.db2.gz GRZABSFTVTVZKO-MRXNPFEDSA-N 1 0 389.359 2.785 20 0 GFADRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)CCSc2ccc(Cl)cc2)C1 ZINC000588744850 565138379 /nfs/dbraw/zinc/13/83/79/565138379.db2.gz CUFGAKIHVDCDCI-AWEZNQCLSA-N 1 0 383.945 2.526 20 0 GFADRO C[NH+](C)C[C@H](NC(=O)NC[C@@H]1CCCC(=O)N1)c1ccc(Cl)c(Cl)c1 ZINC000637101096 565139498 /nfs/dbraw/zinc/13/94/98/565139498.db2.gz AIYDQZBFCDBJHF-WFASDCNBSA-N 1 0 387.311 2.564 20 0 GFADRO Cc1nc2ccc(Br)cn2c1C(=O)N1CCC2(C1)CC[NH+](C)CC2 ZINC000614964205 565140372 /nfs/dbraw/zinc/14/03/72/565140372.db2.gz VQWAWTZISSYBBN-UHFFFAOYSA-N 1 0 391.313 2.963 20 0 GFADRO Cc1cccc(Br)c1C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000637171745 565142225 /nfs/dbraw/zinc/14/22/25/565142225.db2.gz WTGDAFXXPALLJZ-AWEZNQCLSA-N 1 0 380.330 2.656 20 0 GFADRO Cc1cccc(Br)c1C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000637171746 565142598 /nfs/dbraw/zinc/14/25/98/565142598.db2.gz WTGDAFXXPALLJZ-CQSZACIVSA-N 1 0 380.330 2.656 20 0 GFADRO CCCNC(=O)C1CC[NH+](C[C@H](O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000637198179 565144869 /nfs/dbraw/zinc/14/48/69/565144869.db2.gz RJFNNRFRMDJYAG-AWEZNQCLSA-N 1 0 389.323 2.971 20 0 GFADRO COCC[N@H+](C)CCNC(=O)[C@H](Oc1ccccc1Br)C(C)C ZINC000588932885 565145424 /nfs/dbraw/zinc/14/54/24/565145424.db2.gz RQHZJRPISQRHBN-MRXNPFEDSA-N 1 0 387.318 2.547 20 0 GFADRO COc1ccc(Br)cc1C[C@H](CO)C[NH2+][C@H]1CCCn2nccc21 ZINC000658032093 565147253 /nfs/dbraw/zinc/14/72/53/565147253.db2.gz MMCVGNUKKIEHPZ-BBRMVZONSA-N 1 0 394.313 2.930 20 0 GFADRO COC1CC(CC[NH2+][C@H](C)c2ccc(Br)c(S(N)(=O)=O)c2)C1 ZINC000658059030 565149540 /nfs/dbraw/zinc/14/95/40/565149540.db2.gz FKTNADVFDAHUTI-XSRFYTQQSA-N 1 0 391.331 2.562 20 0 GFADRO O=C(NCC[NH2+]C1CC1)N1CCC[C@@H](Nc2cccc(Br)c2)C1 ZINC000637317524 565149850 /nfs/dbraw/zinc/14/98/50/565149850.db2.gz OGWRVRPUDBDCKN-MRXNPFEDSA-N 1 0 381.318 2.787 20 0 GFADRO CC(C)n1ccc(C[C@@H](C)[NH2+]CCNC(=O)c2ccc(Br)cn2)n1 ZINC000658092720 565150718 /nfs/dbraw/zinc/15/07/18/565150718.db2.gz QDYPZFLPVXRSLQ-CYBMUJFWSA-N 1 0 394.317 2.572 20 0 GFADRO COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000658127032 565151549 /nfs/dbraw/zinc/15/15/49/565151549.db2.gz UCCGVTBXQNSJSB-JTQLQIEISA-N 1 0 388.295 2.930 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)C(=O)Nc1c(F)cccc1Br ZINC000658126115 565152209 /nfs/dbraw/zinc/15/22/09/565152209.db2.gz KBBFSDNBSWBUAU-JTQLQIEISA-N 1 0 386.265 2.516 20 0 GFADRO COC(=O)c1cc(C[NH2+]CC(=O)Nc2ccc(Br)cc2C)cn1C ZINC000589170091 565153431 /nfs/dbraw/zinc/15/34/31/565153431.db2.gz JBQBSZLSCOYXCP-UHFFFAOYSA-N 1 0 394.269 2.611 20 0 GFADRO CC[C@H]([NH2+]CCO[C@H]1CC1(F)F)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000658169547 565154056 /nfs/dbraw/zinc/15/40/56/565154056.db2.gz GRKZYVCVWNURHF-JSGCOSHPSA-N 1 0 382.860 2.713 20 0 GFADRO Cc1c(Br)ccc(C(=O)N2CCOC[C@H]2[C@@H]2CCC[N@H+]2C)c1F ZINC000615270209 565154165 /nfs/dbraw/zinc/15/41/65/565154165.db2.gz PMMHLSIJROECIX-GJZGRUSLSA-N 1 0 385.277 2.832 20 0 GFADRO COc1ncc(Br)cc1CNC(=O)N1CC[C@@H]([NH+]2CCCC2)[C@@H]1C ZINC000637406440 565154631 /nfs/dbraw/zinc/15/46/31/565154631.db2.gz ZERBPBRLGLTAFU-SWLSCSKDSA-N 1 0 397.317 2.621 20 0 GFADRO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)[C@H]1CCN(c2cc(Cl)ccc2Cl)C1=O ZINC000615310258 565157700 /nfs/dbraw/zinc/15/77/00/565157700.db2.gz VRXYQPUTBTUYJL-KYOSRNDESA-N 1 0 384.307 2.897 20 0 GFADRO C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)C1CCN(C(=O)c2ccc(Cl)s2)CC1 ZINC000615307561 565157937 /nfs/dbraw/zinc/15/79/37/565157937.db2.gz GYFVKOJNGBNMEO-GXTWGEPZSA-N 1 0 383.945 2.805 20 0 GFADRO COC[C@@H]1CN(C(=O)N[C@@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)CCO1 ZINC000637473130 565159192 /nfs/dbraw/zinc/15/91/92/565159192.db2.gz IMDICTLMRRMTLD-BBRMVZONSA-N 1 0 390.311 2.653 20 0 GFADRO CCCOc1ccc(Br)cc1S(=O)(=O)NC1CCC([NH3+])CC1 ZINC000658364530 565161180 /nfs/dbraw/zinc/16/11/80/565161180.db2.gz ACXYYYYGIOLMGR-UHFFFAOYSA-N 1 0 391.331 2.786 20 0 GFADRO CCN(C(=O)C(=O)Nc1cc(Br)c(C)cc1C)[C@@H]1CC[N@H+](C)C1 ZINC000658360985 565161460 /nfs/dbraw/zinc/16/14/60/565161460.db2.gz KKXWDJGJMDWUHQ-CYBMUJFWSA-N 1 0 382.302 2.557 20 0 GFADRO CN([C@H]1CC[NH2+]C1)S(=O)(=O)c1cc(Cl)c(Cl)cc1Br ZINC000658365714 565162493 /nfs/dbraw/zinc/16/24/93/565162493.db2.gz DDPFWTVIMKLGEH-ZETCQYMHSA-N 1 0 388.114 2.738 20 0 GFADRO O=S(=O)(c1cc(Cl)ccc1OC(F)(F)F)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000658374527 565163410 /nfs/dbraw/zinc/16/34/10/565163410.db2.gz XDDJQGVRJBMHNQ-NSHDSACASA-N 1 0 384.807 2.754 20 0 GFADRO C[C@@H]1CCN(S(=O)(=O)c2cc(Cl)cc(Br)c2)C[C@@H]1C[NH3+] ZINC000658382666 565166126 /nfs/dbraw/zinc/16/61/26/565166126.db2.gz VVJDVRPQMIOVBU-ZJUUUORDSA-N 1 0 381.723 2.708 20 0 GFADRO C[N@H+]1CC=C(CNC(=O)N[C@@H]2[C@H]3Cc4cc(Br)ccc4[C@@H]23)CC1 ZINC000637649706 565166194 /nfs/dbraw/zinc/16/61/94/565166194.db2.gz CUJFAUKUNQQAAF-GVDBMIGSSA-N 1 0 376.298 2.648 20 0 GFADRO O=S(=O)(c1cccc(Br)c1)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000658387447 565167179 /nfs/dbraw/zinc/16/71/79/565167179.db2.gz ROSDGDKNWHKKGQ-CQSZACIVSA-N 1 0 387.343 2.849 20 0 GFADRO C[C@@H]1CCN(S(=O)(=O)c2cc(Cl)ccc2Br)[C@H](C[NH3+])C1 ZINC000658398876 565167247 /nfs/dbraw/zinc/16/72/47/565167247.db2.gz HIUTWOKVQSZTAI-KOLCDFICSA-N 1 0 381.723 2.850 20 0 GFADRO O=S(=O)(N[C@@H]1CC[NH2+]C2(CCC2)C1)c1ccc(OCC(F)(F)F)cc1 ZINC000658401319 565167973 /nfs/dbraw/zinc/16/79/73/565167973.db2.gz CIAKTSUHHSZKBS-GFCCVEGCSA-N 1 0 378.416 2.581 20 0 GFADRO CSC1(CNC(=O)c2cn3ccc(Br)cc3n2)CC[NH+](C)CC1 ZINC000589624043 565168154 /nfs/dbraw/zinc/16/81/54/565168154.db2.gz GJPQIQXAZSVVQY-UHFFFAOYSA-N 1 0 397.342 2.654 20 0 GFADRO O=S(=O)(N[C@H]1CC[NH2+]C2(CCC2)C1)c1cc(F)ccc1Br ZINC000658401617 565168261 /nfs/dbraw/zinc/16/82/61/565168261.db2.gz GYGXPMDZKAZQOB-NSHDSACASA-N 1 0 377.279 2.541 20 0 GFADRO C[C@@H]1CCCN(S(=O)(=O)c2ccc(OCC(F)F)cc2)[C@@H]1CCC[NH3+] ZINC000658400205 565168405 /nfs/dbraw/zinc/16/84/05/565168405.db2.gz QCELZJUWPZZGDD-CZUORRHYSA-N 1 0 376.469 2.859 20 0 GFADRO C[C@@H](CCNC(=O)C(=O)Nc1cc(Br)c(F)cc1Cl)[NH+](C)C ZINC000658424144 565169734 /nfs/dbraw/zinc/16/97/34/565169734.db2.gz LZBDGPYSPKEOKI-QMMMGPOBSA-N 1 0 394.672 2.637 20 0 GFADRO O=C(NC[C@@H]1CCC[NH2+]1)N1CCc2[nH]c3c(cccc3Br)c2C1 ZINC000637725971 565170804 /nfs/dbraw/zinc/17/08/04/565170804.db2.gz HYDAEAKRQHSIDM-NSHDSACASA-N 1 0 377.286 2.750 20 0 GFADRO CCN(C(=O)C(=O)Nc1cc(Cl)c(Cl)cc1OC)[C@@H]1CC[N@H+](CC)C1 ZINC000658468034 565171753 /nfs/dbraw/zinc/17/17/53/565171753.db2.gz QDUPECMLNAOUFO-LLVKDONJSA-N 1 0 388.295 2.883 20 0 GFADRO CC[NH2+]CC1CCN(C(=O)c2ccc3cncc(Br)c3n2)CC1 ZINC000637861866 565174446 /nfs/dbraw/zinc/17/44/46/565174446.db2.gz NOYOIYGNUQVBNE-UHFFFAOYSA-N 1 0 377.286 2.854 20 0 GFADRO C[C@H](CNC(=O)c1ccc(I)cc1Cl)C[NH+](C)C ZINC000590042037 565176291 /nfs/dbraw/zinc/17/62/91/565176291.db2.gz UETMMPWTHMXIGC-SECBINFHSA-N 1 0 380.657 2.872 20 0 GFADRO [NH3+]C[C@@]1(C(=O)N[C@H]2C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)CCCOC1 ZINC000637929196 565177303 /nfs/dbraw/zinc/17/73/03/565177303.db2.gz VYWCCQQZZRYZBI-WGBDABJCSA-N 1 0 376.341 2.768 20 0 GFADRO O=C(NCc1cccc(Cl)c1Cl)c1nnn([C@H]2CC[NH2+]C2)c1C(F)F ZINC000637908121 565177857 /nfs/dbraw/zinc/17/78/57/565177857.db2.gz ZVJRVTDRRDQNHO-VIFPVBQESA-N 1 0 390.221 2.987 20 0 GFADRO C[C@H](O)C[N@H+](Cc1cnn2cc(Br)cnc12)Cc1ccccc1 ZINC000637951756 565179145 /nfs/dbraw/zinc/17/91/45/565179145.db2.gz RDCAZJGCOUKETD-ZDUSSCGKSA-N 1 0 375.270 2.875 20 0 GFADRO Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)NC(=O)CN1CC[NH2+]CC1 ZINC000637984730 565180647 /nfs/dbraw/zinc/18/06/47/565180647.db2.gz LNLDBYKOJJZLNR-GFCCVEGCSA-N 1 0 378.929 2.854 20 0 GFADRO [NH3+]Cc1ncc(C(=O)N2CCO[C@H](c3cc(F)c(Cl)cc3Cl)C2)cn1 ZINC000637983206 565180702 /nfs/dbraw/zinc/18/07/02/565180702.db2.gz MHMNKNHZGBWFKA-AWEZNQCLSA-N 1 0 385.226 2.595 20 0 GFADRO CC(C)([NH2+]CCCN1C(=O)NC(C)(C)C1=O)c1ccc(Br)cc1 ZINC000616011066 565184896 /nfs/dbraw/zinc/18/48/96/565184896.db2.gz YMISGEKHNUFCRZ-UHFFFAOYSA-N 1 0 382.302 2.994 20 0 GFADRO O=C(c1ccc2cncc(Br)c2n1)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000638143257 565186527 /nfs/dbraw/zinc/18/65/27/565186527.db2.gz PIKRPRYHRRCFGS-OAHLLOKOSA-N 1 0 389.297 2.997 20 0 GFADRO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1ccc(I)c(F)c1 ZINC000590402654 565186698 /nfs/dbraw/zinc/18/66/98/565186698.db2.gz GDUNCXSDGIZADS-RNCFNFMXSA-N 1 0 376.213 2.595 20 0 GFADRO NS(=O)(=O)c1ccc(CNc2ccc(CC[NH+]3CCSCC3)cc2)s1 ZINC000638239854 565188593 /nfs/dbraw/zinc/18/85/93/565188593.db2.gz PINHNTBTHVUSSA-UHFFFAOYSA-N 1 0 397.591 2.599 20 0 GFADRO CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccc(Br)cc2CC)C1 ZINC000658779760 565188787 /nfs/dbraw/zinc/18/87/87/565188787.db2.gz RRKLBMQRARGOSC-CQSZACIVSA-N 1 0 382.302 2.551 20 0 GFADRO CCN(C(=O)C(=O)N(C)Cc1ccc(Cl)c(Cl)c1)[C@@H]1CC[N@H+](CC)C1 ZINC000658830803 565189289 /nfs/dbraw/zinc/18/92/89/565189289.db2.gz VFBGZRCXQOSIGL-CQSZACIVSA-N 1 0 386.323 2.895 20 0 GFADRO O=C(c1cc(Br)c2nccn2c1)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000638250338 565190239 /nfs/dbraw/zinc/19/02/39/565190239.db2.gz GPFTUALDRAQVFL-ZIAGYGMSSA-N 1 0 391.313 2.949 20 0 GFADRO Brc1cnc2c(C[NH2+]CCc3ccc4c(c3)OCO4)cnn2c1 ZINC000638303838 565191255 /nfs/dbraw/zinc/19/12/55/565191255.db2.gz IZIBWQLYEYINJA-UHFFFAOYSA-N 1 0 375.226 2.553 20 0 GFADRO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1c(F)cccc1I ZINC000590566180 565191623 /nfs/dbraw/zinc/19/16/23/565191623.db2.gz GBYBLNIZWVXNHB-SKDRFNHKSA-N 1 0 376.213 2.595 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+]Cc2ccc(COCC(F)(F)F)cc2)s1 ZINC000638346833 565192479 /nfs/dbraw/zinc/19/24/79/565192479.db2.gz LGPVPAFFVKDUEB-UHFFFAOYSA-N 1 0 394.440 2.764 20 0 GFADRO Cc1cc(C)c(C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)c(C)c1Br ZINC000638367129 565194103 /nfs/dbraw/zinc/19/41/03/565194103.db2.gz SXENOAKPFFSODA-LSDHHAIUSA-N 1 0 391.313 2.675 20 0 GFADRO O=C(COc1ccc(Br)cn1)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000638420234 565195344 /nfs/dbraw/zinc/19/53/44/565195344.db2.gz VYZJFGKVXZHLGH-HNNXBMFYSA-N 1 0 392.253 2.523 20 0 GFADRO CC[NH+]1CCN([C@H]2CCN(C(=O)c3ccc(C)c(Br)c3C)C2)CC1 ZINC000616324011 565197483 /nfs/dbraw/zinc/19/74/83/565197483.db2.gz FPUUCDDRZZFABI-INIZCTEOSA-N 1 0 394.357 2.918 20 0 GFADRO O=C(COC1CC[NH2+]CC1)N1CC[C@@H](Sc2ccc(Br)cc2)C1 ZINC000638474199 565197754 /nfs/dbraw/zinc/19/77/54/565197754.db2.gz QTQGSJQSOQNGHY-MRXNPFEDSA-N 1 0 399.354 2.911 20 0 GFADRO O=C(Nc1nnc(CC(F)(F)F)s1)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000659003996 565198096 /nfs/dbraw/zinc/19/80/96/565198096.db2.gz HARFEYUXYUEMMU-LLVKDONJSA-N 1 0 377.436 2.886 20 0 GFADRO CC(C)[C@@H]1C[NH2+]CCN1C(=O)c1cc(=O)[nH]c2c(Br)cccc12 ZINC000638489508 565198428 /nfs/dbraw/zinc/19/84/28/565198428.db2.gz MFIUWGRGBUYYRF-AWEZNQCLSA-N 1 0 378.270 2.773 20 0 GFADRO O=C(NCc1cc(Br)ccn1)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000659040375 565199764 /nfs/dbraw/zinc/19/97/64/565199764.db2.gz DMOFHCFRDGFFAL-MRXNPFEDSA-N 1 0 391.269 2.827 20 0 GFADRO [NH3+]C1(CNC(=O)C(=O)Nc2cc(F)c(Br)cc2Cl)CCCC1 ZINC000659097845 565201389 /nfs/dbraw/zinc/20/13/89/565201389.db2.gz NFCBTGSHNANEKD-UHFFFAOYSA-N 1 0 392.656 2.568 20 0 GFADRO CCn1cc(Br)cc1C(=O)N1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000638547780 565202097 /nfs/dbraw/zinc/20/20/97/565202097.db2.gz CNPVZTDTVNJDTA-MWLCHTKSSA-N 1 0 382.224 2.870 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)c2cc(Br)ccc2O)CC[C@H]1C(F)(F)F ZINC000638560912 565203190 /nfs/dbraw/zinc/20/31/90/565203190.db2.gz VRXARDYPXXZWJL-GZMMTYOYSA-N 1 0 381.192 2.754 20 0 GFADRO [NH3+]CCn1cc(C(=O)N2CCC[C@H]2c2ccc(Br)cc2Cl)nn1 ZINC000638689061 565206903 /nfs/dbraw/zinc/20/69/03/565206903.db2.gz LFONODMMXQSHIT-AWEZNQCLSA-N 1 0 398.692 2.630 20 0 GFADRO CN(CCOCC[NH3+])C(=O)c1csc(-c2ccc(Br)s2)n1 ZINC000638678686 565207316 /nfs/dbraw/zinc/20/73/16/565207316.db2.gz ZTWIVQPDMIIFBE-UHFFFAOYSA-N 1 0 390.328 2.681 20 0 GFADRO COc1nsc(CNC2CC[NH+](C[C@@H]3CCOC3)CC2)c1Br ZINC000638670032 565207331 /nfs/dbraw/zinc/20/73/31/565207331.db2.gz ZUGQMOGIDIVZCB-NSHDSACASA-N 1 0 390.347 2.505 20 0 GFADRO OCC[C@@H](C[NH2+]Cc1cnn2cc(Br)cnc12)c1ccccc1 ZINC000638668701 565207404 /nfs/dbraw/zinc/20/74/04/565207404.db2.gz KZBMBQRKSIILRP-AWEZNQCLSA-N 1 0 375.270 2.748 20 0 GFADRO O=C(COc1cc(Cl)ccc1Cl)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000638778408 565210256 /nfs/dbraw/zinc/21/02/56/565210256.db2.gz KKVZSTNRUPQJAN-HNNXBMFYSA-N 1 0 387.307 2.989 20 0 GFADRO COc1ccc(C(=O)N2CCC(CO[C@@H]3CC[NH2+]C3)CC2)cc1Br ZINC000638779031 565210673 /nfs/dbraw/zinc/21/06/73/565210673.db2.gz PWBJFQKYVSMFLQ-OAHLLOKOSA-N 1 0 397.313 2.688 20 0 GFADRO C[NH+](C)CCN(Cc1ccsc1)C(=O)NCc1ccc([S@](C)=O)cc1 ZINC000590930607 565211003 /nfs/dbraw/zinc/21/10/03/565211003.db2.gz CVEKLQIOGCYMFZ-VWLOTQADSA-N 1 0 379.551 2.759 20 0 GFADRO COc1ccc(CCC(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c(Br)c1 ZINC000659304975 565211784 /nfs/dbraw/zinc/21/17/84/565211784.db2.gz XLTVKNJVMODLJK-YSVLISHTSA-N 1 0 381.314 2.976 20 0 GFADRO O=C(c1sc2c(c1Br)CNC2)N1CC[NH2+]C[C@H]1c1ccccc1 ZINC000659322073 565213108 /nfs/dbraw/zinc/21/31/08/565213108.db2.gz DNJYYSCHZNKQEE-ZDUSSCGKSA-N 1 0 392.322 2.901 20 0 GFADRO Cc1cc(C[NH3+])oc1C(=O)N(C)C[C@@H](O)COc1cc(Cl)cc(Cl)c1 ZINC000638827421 565213144 /nfs/dbraw/zinc/21/31/44/565213144.db2.gz KDEQHEYRDXUHDD-CYBMUJFWSA-N 1 0 387.263 2.865 20 0 GFADRO Cn1cc(Br)cc1C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1 ZINC000659351951 565214149 /nfs/dbraw/zinc/21/41/49/565214149.db2.gz UTNLSAQAKANDDL-HUUCEWRRSA-N 1 0 380.261 2.802 20 0 GFADRO O=C([C@@H]1C[C@@]12CCC[NH2+]C2)N1CCOC[C@@H]1c1ccc(Br)cc1 ZINC000659357997 565214322 /nfs/dbraw/zinc/21/43/22/565214322.db2.gz FHEZKIHOTYBHCF-LZLYRXPVSA-N 1 0 379.298 2.739 20 0 GFADRO [NH3+]C1CCC(OCC(=O)N2CCOC[C@H]2c2cccc(Br)c2)CC1 ZINC000659366566 565215176 /nfs/dbraw/zinc/21/51/76/565215176.db2.gz IMEPCYQVTXTDEL-JCYILVPMSA-N 1 0 397.313 2.636 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+][C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2)o1 ZINC000638909151 565217229 /nfs/dbraw/zinc/21/72/29/565217229.db2.gz RNIMSVTZFSJKSR-JTQLQIEISA-N 1 0 390.292 2.602 20 0 GFADRO C[C@H](NC(=O)NCC1([NH3+])CCCC1)c1cc2c(cc1Br)OCCO2 ZINC000659439070 565218077 /nfs/dbraw/zinc/21/80/77/565218077.db2.gz CEISKGIRTMEWMO-NSHDSACASA-N 1 0 398.301 2.852 20 0 GFADRO C[C@H]1C[C@H]([NH3+])CN1C(=O)Cc1ccc(Br)c(Br)c1 ZINC000638931104 565218241 /nfs/dbraw/zinc/21/82/41/565218241.db2.gz NTQJYFHKHLNMJW-WPRPVWTQSA-N 1 0 376.092 2.702 20 0 GFADRO CC(C)([NH3+])c1cc(C(=O)N[C@@H]2[C@H]3Cc4cc(Br)ccc4[C@@H]23)on1 ZINC000638943138 565218802 /nfs/dbraw/zinc/21/88/02/565218802.db2.gz PZGPTNDDUSDUNT-NILFDRSVSA-N 1 0 376.254 2.699 20 0 GFADRO Cc1n[nH]c(CC[NH2+][C@H]2CCN(C)[C@H](c3ccc(Br)cc3)C2)n1 ZINC000638949329 565219013 /nfs/dbraw/zinc/21/90/13/565219013.db2.gz ASLIXAJHRGPBHX-HOTGVXAUSA-N 1 0 378.318 2.843 20 0 GFADRO [NH3+]C[C@H]1CC[C@H](NC(=O)c2ccc(-n3cc(Br)cn3)cc2)CC1 ZINC000638947858 565219052 /nfs/dbraw/zinc/21/90/52/565219052.db2.gz OECMPOWFHQPMTE-NNUKFRKNSA-N 1 0 377.286 2.882 20 0 GFADRO C[C@]1(CNC(=O)N2CCOC[C@H]2c2ccc(Br)cc2)CCC[NH2+]C1 ZINC000659530362 565219223 /nfs/dbraw/zinc/21/92/23/565219223.db2.gz QFUQMTKHZZFUGB-WMZOPIPTSA-N 1 0 396.329 2.922 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)c1cc(Br)c2c(c1)OCCO2 ZINC000617014427 565219557 /nfs/dbraw/zinc/21/95/57/565219557.db2.gz JDNAVJKTTAONFB-GFCCVEGCSA-N 1 0 383.286 2.823 20 0 GFADRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)N2CCOC[C@H]2c2ccc(Br)cc2)C1 ZINC000659555327 565220137 /nfs/dbraw/zinc/22/01/37/565220137.db2.gz PSGMUPUXDKICPQ-WQVCFCJDSA-N 1 0 382.302 2.659 20 0 GFADRO CCOC(=O)COc1c(Br)cc(C)cc1CN[C@H]1CCC[NH2+]CC1 ZINC000591278449 565220868 /nfs/dbraw/zinc/22/08/68/565220868.db2.gz CNKFJVZNRICYAA-HNNXBMFYSA-N 1 0 399.329 2.931 20 0 GFADRO COC(=O)c1cc(NC(=O)N2CCCC[C@H]2C[NH3+])c(Br)cc1F ZINC000591287522 565221801 /nfs/dbraw/zinc/22/18/01/565221801.db2.gz PSQBHWJPAREZJF-VIFPVBQESA-N 1 0 388.237 2.720 20 0 GFADRO O=C(NCC12CC(C1)C[NH2+]2)C(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000659744031 565222307 /nfs/dbraw/zinc/22/23/07/565222307.db2.gz PMNHKXVHCVZZGL-YSTGTXGZSA-N 1 0 382.291 2.525 20 0 GFADRO COC(=O)c1cc(Br)c(F)cc1NC(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000591298146 565222593 /nfs/dbraw/zinc/22/25/93/565222593.db2.gz ZVUZGGORMXTFPS-VIFPVBQESA-N 1 0 388.237 2.638 20 0 GFADRO C[C@@H](NC(=O)C(=O)NCC1([NH3+])CCCC1)c1cc(F)c(Cl)cc1Cl ZINC000659675423 565222863 /nfs/dbraw/zinc/22/28/63/565222863.db2.gz UIZXEYXLYUWZJI-SECBINFHSA-N 1 0 376.259 2.697 20 0 GFADRO [NH3+]C[C@@H]1CCN(C(=O)CS(=O)(=O)c2ccc(Cl)cc2)c2ccccc21 ZINC000639068253 565222891 /nfs/dbraw/zinc/22/28/91/565222891.db2.gz DVAXJHZVTDVBGD-ZDUSSCGKSA-N 1 0 378.881 2.593 20 0 GFADRO CC1([NH3+])CCN(C(=O)Nc2cccc(F)c2I)CC1 ZINC000591293972 565222964 /nfs/dbraw/zinc/22/29/64/565222964.db2.gz COZVSLAEOIATIX-UHFFFAOYSA-N 1 0 377.201 2.775 20 0 GFADRO CO[C@@H](C[NH2+]CCc1cn2cc(Br)cc(C)c2n1)[C@@H]1CCOC1 ZINC000639063547 565223368 /nfs/dbraw/zinc/22/33/68/565223368.db2.gz XUZUMDARTLDOLM-CJNGLKHVSA-N 1 0 382.302 2.589 20 0 GFADRO Ic1cccc(OCCCN2CC[C@@H]3CC[NH2+][C@@H]3C2)c1 ZINC000591448518 565231201 /nfs/dbraw/zinc/23/12/01/565231201.db2.gz JVLMRLVRZNFUEH-XJKSGUPXSA-N 1 0 386.277 2.744 20 0 GFADRO CCS(=O)(=O)N1CCC([C@H](C)[N@H+](C)Cc2ccc(C(F)F)nc2)CC1 ZINC000639185222 565232057 /nfs/dbraw/zinc/23/20/57/565232057.db2.gz JSYOKLRYSQXDFB-ZDUSSCGKSA-N 1 0 375.485 2.901 20 0 GFADRO COc1nsc(C[NH2+][C@H]2CCO[C@@H](c3nccn3C)C2)c1Br ZINC000639242743 565234442 /nfs/dbraw/zinc/23/44/42/565234442.db2.gz RXIOSEUHYYILQX-VHSXEESVSA-N 1 0 387.303 2.658 20 0 GFADRO C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)C1 ZINC000617414344 565236940 /nfs/dbraw/zinc/23/69/40/565236940.db2.gz GOOKPEISHFFZJO-CZUORRHYSA-N 1 0 384.307 2.808 20 0 GFADRO O[C@@H](COc1cc(Cl)cc(Cl)c1)CN1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000639435686 565245788 /nfs/dbraw/zinc/24/57/88/565245788.db2.gz YLSKYCZVLDCDSN-IAGOWNOFSA-N 1 0 389.323 2.530 20 0 GFADRO CN(C)C(=O)C1CC[NH+](C[C@H](O)COc2cc(Cl)cc(Cl)c2)CC1 ZINC000639435695 565245853 /nfs/dbraw/zinc/24/58/53/565245853.db2.gz YMRRBFVYQYKHMI-HNNXBMFYSA-N 1 0 375.296 2.533 20 0 GFADRO CC(C)(COc1ncccc1Br)[NH2+]C[C@@H](O)C[C@@](C)(O)C1CC1 ZINC000639557861 565249794 /nfs/dbraw/zinc/24/97/94/565249794.db2.gz ROOJWIRRSOGKFP-SUMWQHHRSA-N 1 0 387.318 2.503 20 0 GFADRO O=C(NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1ccccc1Br ZINC000617696787 565251418 /nfs/dbraw/zinc/25/14/18/565251418.db2.gz NYXOFDMZQDNJKM-MRXNPFEDSA-N 1 0 389.293 2.946 20 0 GFADRO C[C@@H](CCNC(=O)c1ncc(Br)cc1Br)[NH+](C)C ZINC000617756741 565256884 /nfs/dbraw/zinc/25/68/84/565256884.db2.gz NGHXWAKNOZZNDN-QMMMGPOBSA-N 1 0 379.096 2.677 20 0 GFADRO O=S(=O)(NC[C@@H]1CCC[N@H+](CC2CC2)C1)c1ccccc1Br ZINC000660178420 565264003 /nfs/dbraw/zinc/26/40/03/565264003.db2.gz JBDOATPHWWGGJH-AWEZNQCLSA-N 1 0 387.343 2.849 20 0 GFADRO C[N@H+](CCOC1CCOCC1)C[C@@H](O)COc1cc(Cl)cc(Cl)c1 ZINC000639920092 565267486 /nfs/dbraw/zinc/26/74/86/565267486.db2.gz TXKNCRJOHDIKNU-OAHLLOKOSA-N 1 0 378.296 2.861 20 0 GFADRO CC[C@H]1CN(C(=O)c2scc(C)c2I)CC[C@H]1[NH3+] ZINC000592331695 565270377 /nfs/dbraw/zinc/27/03/77/565270377.db2.gz NNBCPAJTCXMGPC-VHSXEESVSA-N 1 0 378.279 2.861 20 0 GFADRO CC(C)[N@H+](C)C[C@H](O)CN1CCO[C@H](c2ccc(F)c(Br)c2)C1 ZINC000660313529 565271190 /nfs/dbraw/zinc/27/11/90/565271190.db2.gz NESWPKOIZKDOFR-YOEHRIQHSA-N 1 0 389.309 2.663 20 0 GFADRO [NH3+]CC[C@H](NC(=O)c1ccc(I)cc1Cl)C(F)F ZINC000592340336 565271573 /nfs/dbraw/zinc/27/15/73/565271573.db2.gz YUSXJQHZPZSYTC-VIFPVBQESA-N 1 0 388.583 2.657 20 0 GFADRO CC[NH+](CC)CCN(Cc1ccc(Cl)cc1)C(=O)CS(=O)(=O)C(C)C ZINC000618173803 565275984 /nfs/dbraw/zinc/27/59/84/565275984.db2.gz AECXBHWJMTVSSD-UHFFFAOYSA-N 1 0 388.961 2.834 20 0 GFADRO O=C(CN1C[C@@H](CO)[C@H](C(F)(F)F)C1)NCCc1cccc(Cl)c1Cl ZINC000640055372 565277349 /nfs/dbraw/zinc/27/73/49/565277349.db2.gz VODWASJXRDFTNK-NWDGAFQWSA-N 1 0 399.240 2.755 20 0 GFADRO C[C@H](NC(=O)c1cnn2c1[C@H](C[NH3+])CCC2)c1ccccc1Br ZINC000592480027 565278987 /nfs/dbraw/zinc/27/89/87/565278987.db2.gz VEBQYUJIIZFUHJ-RYUDHWBXSA-N 1 0 377.286 2.973 20 0 GFADRO C[C@H](NC(=O)c1cnn2c1[C@H](C[NH3+])CCC2)c1cccc(Br)c1 ZINC000592486140 565279015 /nfs/dbraw/zinc/27/90/15/565279015.db2.gz SMIJEYFHFGCDKX-AAEUAGOBSA-N 1 0 377.286 2.973 20 0 GFADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)NC(C)(C)c1ccc(Br)cc1 ZINC000592499097 565279803 /nfs/dbraw/zinc/27/98/03/565279803.db2.gz CRSSMJQWHLYHEF-CQSZACIVSA-N 1 0 397.361 2.619 20 0 GFADRO Cc1noc([C@@H]2CCN(CC(=O)c3c[nH]c4ncc(Br)cc34)C2)n1 ZINC000660517829 565280462 /nfs/dbraw/zinc/28/04/62/565280462.db2.gz KXQUBBCITDEUMD-SNVBAGLBSA-N 1 0 390.241 2.689 20 0 GFADRO COc1ncc(Br)cc1C[NH2+][C@@H]1CCC[C@@H]2CN(C(C)=O)C[C@@H]21 ZINC000660561505 565282597 /nfs/dbraw/zinc/28/25/97/565282597.db2.gz WSEFCXQRNHGQSH-UHOFOFEASA-N 1 0 382.302 2.589 20 0 GFADRO C[NH+](C)CCN1CCC(NC(=O)Nc2cscc2Br)CC1 ZINC000640191824 565286622 /nfs/dbraw/zinc/28/66/22/565286622.db2.gz MNIFNFSBWXVPFT-UHFFFAOYSA-N 1 0 375.336 2.658 20 0 GFADRO COCC[N@@H+]1CC[C@H](NC(=O)N2Cc3ccc(C)c(Br)c3C2)C1 ZINC000660704555 565289193 /nfs/dbraw/zinc/28/91/93/565289193.db2.gz AAFWTJFNDXLPBN-AWEZNQCLSA-N 1 0 382.302 2.503 20 0 GFADRO COCCC[N@H+](C)CCNC(=O)N1CC[C@H]1c1ccc(Br)cc1 ZINC000660740195 565291788 /nfs/dbraw/zinc/29/17/88/565291788.db2.gz NIGWYHBJGYIJNN-INIZCTEOSA-N 1 0 384.318 2.874 20 0 GFADRO COc1ncc(Br)cc1CN1CCC[C@H](N2CCCC2=O)CC1 ZINC000660807686 565294334 /nfs/dbraw/zinc/29/43/34/565294334.db2.gz IJQFTDQEEYBWFC-HNNXBMFYSA-N 1 0 382.302 2.830 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2nn(CC(F)(F)F)cc2Cl)C[C@H]1C ZINC000640294444 565294833 /nfs/dbraw/zinc/29/48/33/565294833.db2.gz CNZBSTSJEUHXBF-MNOVXSKESA-N 1 0 381.830 3.435 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)N1CCOc2cc(Br)ccc2C1 ZINC000660840769 565295544 /nfs/dbraw/zinc/29/55/44/565295544.db2.gz LNZUVNCLZSYKDJ-CQSZACIVSA-N 1 0 380.286 2.590 20 0 GFADRO CC[NH+](CC)Cc1ccc(CNC(=O)Nc2nn(C)cc2Br)cc1 ZINC000640307182 565296876 /nfs/dbraw/zinc/29/68/76/565296876.db2.gz AQIUVQSSCARTKH-UHFFFAOYSA-N 1 0 394.317 3.346 20 0 GFADRO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)Nc1nn(CC(F)(F)F)cc1Cl ZINC000640301848 565296945 /nfs/dbraw/zinc/29/69/45/565296945.db2.gz KFGOYUJCLJEKLS-LLVKDONJSA-N 1 0 381.830 3.341 20 0 GFADRO C[NH+](C)CCN(Cc1ccccc1F)C(=O)CCn1cc(Br)cn1 ZINC000618403847 565299306 /nfs/dbraw/zinc/29/93/06/565299306.db2.gz RRWMQWFEZACNCC-UHFFFAOYSA-N 1 0 397.292 2.765 20 0 GFADRO CC(C)[N@@H+]1CCCN(C(=O)Nc2nnc(C(F)(F)C(F)(F)F)s2)CC1 ZINC000640384896 565304584 /nfs/dbraw/zinc/30/45/84/565304584.db2.gz VXUBDMSBSKAIHZ-UHFFFAOYSA-N 1 0 387.378 3.140 20 0 GFADRO OCC1([C@H]([NH2+]Cc2nc3cc(Br)ccc3[nH]2)C2CC2)CCOCC1 ZINC000661079911 565305324 /nfs/dbraw/zinc/30/53/24/565305324.db2.gz HDLYEFKLILDHKI-QGZVFWFLSA-N 1 0 394.313 2.983 20 0 GFADRO CN(CCC[NH+]1CCCC1)C(=O)Nc1nnc(C(F)(F)C(F)(F)F)s1 ZINC000640386927 565306981 /nfs/dbraw/zinc/30/69/81/565306981.db2.gz PZXBNLUKUXIGES-UHFFFAOYSA-N 1 0 387.378 3.142 20 0 GFADRO Cc1cc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](Cn3ccnn3)C2)ccc1Br ZINC000661141417 565309388 /nfs/dbraw/zinc/30/93/88/565309388.db2.gz PNEZHZPBJHODLM-KBPBESRZSA-N 1 0 392.301 2.698 20 0 GFADRO O=C(CC[N@@H+]1CC[C@@H](Cn2ccnn2)C1)Nc1ccc(Br)cc1F ZINC000661144510 565309539 /nfs/dbraw/zinc/30/95/39/565309539.db2.gz FZDBANCQONRNKR-GFCCVEGCSA-N 1 0 396.264 2.530 20 0 GFADRO C[C@@H](CC(=O)N1CCCN(c2cc[nH+]cc2)CC1)n1cc(Br)cn1 ZINC000640441953 565309605 /nfs/dbraw/zinc/30/96/05/565309605.db2.gz CXHHVUZPCHPMNK-AWEZNQCLSA-N 1 0 392.301 2.731 20 0 GFADRO COC[C@H]([NH2+]CC(=O)NCCc1cccc(Cl)c1Cl)C1CCOCC1 ZINC000661158899 565310960 /nfs/dbraw/zinc/31/09/60/565310960.db2.gz PVUJHVRHNCJYPM-INIZCTEOSA-N 1 0 389.323 2.683 20 0 GFADRO COC(=O)[C@@H]1C[N@H+](C[C@H](O)COc2cc(Cl)ccc2Cl)C[C@H]1C1CC1 ZINC000593125632 565314631 /nfs/dbraw/zinc/31/46/31/565314631.db2.gz BCWBIKYLGUKUQI-SOUVJXGZSA-N 1 0 388.291 2.864 20 0 GFADRO Cc1cc(CNC(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)ccc1Br ZINC000661303947 565318314 /nfs/dbraw/zinc/31/83/14/565318314.db2.gz QHJXOYISEUGWIW-MRXNPFEDSA-N 1 0 396.329 2.810 20 0 GFADRO C[C@@]12COC[C@]1(C)C[N@H+]([C@H]1CCN(c3cccc(Br)c3)C1=O)C2 ZINC000661490360 565325638 /nfs/dbraw/zinc/32/56/38/565325638.db2.gz DPRBKPZAQDLOKH-RYQLBKOJSA-N 1 0 379.298 2.913 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)NCc2cc3c(c(Br)c2)OCO3)C1 ZINC000661505631 565327294 /nfs/dbraw/zinc/32/72/94/565327294.db2.gz BMRBNHLGLHLMJY-LBPRGKRZSA-N 1 0 398.301 2.850 20 0 GFADRO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[N@@H+]1CC[C@H]2NC(=O)CC[C@H]2C1 ZINC000661600074 565330600 /nfs/dbraw/zinc/33/06/00/565330600.db2.gz LGWKHRMJVBPERD-XJKSGUPXSA-N 1 0 384.307 2.552 20 0 GFADRO CC[NH+]1CCN(CCNC(=O)CCc2nc3cc(Cl)ccc3s2)CC1 ZINC000593429950 565331430 /nfs/dbraw/zinc/33/14/30/565331430.db2.gz LDJJNAHMPXRXIE-UHFFFAOYSA-N 1 0 380.945 2.636 20 0 GFADRO Cc1ccc(NC(=O)[C@@H](C)n2cc(CC[NH+](C)C)nn2)c(Br)c1 ZINC000640887987 565334884 /nfs/dbraw/zinc/33/48/84/565334884.db2.gz OWFYMAKGTYASEN-GFCCVEGCSA-N 1 0 380.290 2.653 20 0 GFADRO Cc1ccc(NC(=O)[C@H](C)n2cc(C[NH2+]C3CC3)nn2)c(Br)c1 ZINC000640889140 565334983 /nfs/dbraw/zinc/33/49/83/565334983.db2.gz YOIRYWAWYFSPAJ-NSHDSACASA-N 1 0 378.274 2.801 20 0 GFADRO COCC[C@@H]([NH3+])Cc1cn(Cc2cc(Br)cc3cccnc32)nn1 ZINC000640949394 565338441 /nfs/dbraw/zinc/33/84/41/565338441.db2.gz MKDGLDYCEPTATQ-OAHLLOKOSA-N 1 0 390.285 2.543 20 0 GFADRO COC[C@H]([NH3+])Cc1cn(Cc2csc(Cc3ccc(Cl)cc3)n2)nn1 ZINC000640949609 565338504 /nfs/dbraw/zinc/33/85/04/565338504.db2.gz VWQPRXIQFQYASO-CQSZACIVSA-N 1 0 377.901 2.543 20 0 GFADRO CC(C)(C)CCNC(=O)Cn1cc([C@@H]([NH3+])c2ccc(Br)cc2)nn1 ZINC000640976397 565340287 /nfs/dbraw/zinc/34/02/87/565340287.db2.gz MTBVHFCWNSMOOE-INIZCTEOSA-N 1 0 394.317 2.641 20 0 GFADRO [NH3+]CCCCc1cn(Cc2cc(Br)ccc2OC(F)F)nn1 ZINC000641010195 565341380 /nfs/dbraw/zinc/34/13/80/565341380.db2.gz QEDXSIQGPURYNG-UHFFFAOYSA-N 1 0 375.217 2.972 20 0 GFADRO CCc1nnc([C@H](C)n2cc([C@H]([NH3+])c3ccc(Br)cc3)nn2)o1 ZINC000641033585 565341839 /nfs/dbraw/zinc/34/18/39/565341839.db2.gz OJPOWACIZLQEHQ-LKFCYVNXSA-N 1 0 377.246 2.643 20 0 GFADRO CC(C)[C@H]([NH3+])c1cn(Cc2nc(-c3ccc(Br)s3)no2)nn1 ZINC000641048556 565343227 /nfs/dbraw/zinc/34/32/27/565343227.db2.gz RWOZOHKHROJLNV-LBPRGKRZSA-N 1 0 383.275 2.856 20 0 GFADRO C[N@@H+]1CCC[C@H](NC(=O)c2ccc3cc(I)ccc3n2)C1 ZINC000619472315 565343971 /nfs/dbraw/zinc/34/39/71/565343971.db2.gz BLVOLKHDFIZPTI-ZDUSSCGKSA-N 1 0 395.244 2.663 20 0 GFADRO O=C1[C@H](n2cc(C[C@@H]3CC[NH2+]C3)nn2)CCN1c1ccc(Cl)c(Cl)c1 ZINC000641108830 565345838 /nfs/dbraw/zinc/34/58/38/565345838.db2.gz ORZIIMRSEJKBNB-MEDUHNTESA-N 1 0 380.279 2.715 20 0 GFADRO Brc1cc2c(cc1Cn1cc(C[NH2+]C3CC3)nn1)OCCCO2 ZINC000641121051 565348804 /nfs/dbraw/zinc/34/88/04/565348804.db2.gz QOBJILRVNMKQQQ-UHFFFAOYSA-N 1 0 379.258 2.502 20 0 GFADRO O=C1CCCN1C[C@@H]1CC[N@@H+](Cc2cc3c(cc2Br)OCCO3)C1 ZINC000662062917 565348953 /nfs/dbraw/zinc/34/89/53/565348953.db2.gz SFKJWGYHFDAOJD-CYBMUJFWSA-N 1 0 395.297 2.665 20 0 GFADRO CC[C@@H](c1ccc(Br)cc1)n1cc(Cn2cc(C[NH3+])cn2)nn1 ZINC000641133378 565350174 /nfs/dbraw/zinc/35/01/74/565350174.db2.gz DEQRSRHBLXWITQ-INIZCTEOSA-N 1 0 375.274 2.744 20 0 GFADRO O[C@@H](COc1c(Cl)cccc1Cl)Cn1cc(C[C@H]2CCC[NH2+]C2)nn1 ZINC000641201866 565353403 /nfs/dbraw/zinc/35/34/03/565353403.db2.gz GTYJUQDWZAOPSJ-TZMCWYRMSA-N 1 0 385.295 2.567 20 0 GFADRO C[NH2+]C[C@@H]1CCN(C(=O)Cc2ccc(Br)c(Br)c2)C1 ZINC000662414875 565366751 /nfs/dbraw/zinc/36/67/51/565366751.db2.gz ZUKUQQHYYJUIPV-NSHDSACASA-N 1 0 390.119 2.822 20 0 GFADRO COc1ncc(Br)cc1CN1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000662281229 565357921 /nfs/dbraw/zinc/35/79/21/565357921.db2.gz KPJWJEBJOUIQOS-CVEARBPZSA-N 1 0 384.318 2.571 20 0 GFADRO CCN1C[C@@H](C[NH2+][C@@H](C)c2ccc(F)c(I)c2)CC1=O ZINC000593718239 565358539 /nfs/dbraw/zinc/35/85/39/565358539.db2.gz CMAQRVYNKBWGGA-WDEREUQCSA-N 1 0 390.240 2.949 20 0 GFADRO COC(=O)c1c(C)c(NC(=O)NCCC2(C[NH3+])CC2)ccc1Br ZINC000593763739 565359683 /nfs/dbraw/zinc/35/96/83/565359683.db2.gz OFCRFEQDVYBNID-UHFFFAOYSA-N 1 0 384.274 2.795 20 0 GFADRO C[C@@H](C(=O)Nc1ccccc1Br)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662320556 565360396 /nfs/dbraw/zinc/36/03/96/565360396.db2.gz VAUFXXFQPFKYGK-GJZGRUSLSA-N 1 0 398.345 2.819 20 0 GFADRO C[C@@H]1CCN(CC(=O)Nc2c(F)cc(F)cc2Br)[C@H](C[NH3+])C1 ZINC000662311971 565360642 /nfs/dbraw/zinc/36/06/42/565360642.db2.gz GDFXNTIJAQZWRP-KOLCDFICSA-N 1 0 376.245 2.725 20 0 GFADRO CC[C@H]1C[N@H+](C)CCCN1C(=O)c1cc(F)ccc1I ZINC000619867112 565360860 /nfs/dbraw/zinc/36/08/60/565360860.db2.gz KZVSRRXCHDAPIH-LBPRGKRZSA-N 1 0 390.240 2.987 20 0 GFADRO C[NH+](C)CCC[C@H]1CN(C[C@@H](O)COc2ccc(Cl)cc2Cl)CCO1 ZINC000662320808 565360876 /nfs/dbraw/zinc/36/08/76/565360876.db2.gz WPYKNWULKNWQRH-CVEARBPZSA-N 1 0 391.339 2.776 20 0 GFADRO CC(C)(C)n1cc(Br)c(C(=O)NCCC[NH2+]Cc2cccnc2)n1 ZINC000662398030 565366293 /nfs/dbraw/zinc/36/62/93/565366293.db2.gz QXMSXBFQQXLJFR-UHFFFAOYSA-N 1 0 394.317 2.705 20 0 GFADRO O=C(NCCOc1ccc(Br)cc1)c1cc(C2CC[NH2+]CC2)no1 ZINC000662420291 565367616 /nfs/dbraw/zinc/36/76/16/565367616.db2.gz SHGIECNHJJVBTM-UHFFFAOYSA-N 1 0 394.269 2.713 20 0 GFADRO O=C(NCC1(c2cccc(Br)c2)CC1)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC000662461234 565369926 /nfs/dbraw/zinc/36/99/26/565369926.db2.gz HLJNHQIVMZJWFV-LBPRGKRZSA-N 1 0 389.297 2.711 20 0 GFADRO N[C@@H](C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1)c1ccccc1Br ZINC000662468829 565370067 /nfs/dbraw/zinc/37/00/67/565370067.db2.gz UIMQKCFOTSTQME-RHSMWYFYSA-N 1 0 380.330 2.926 20 0 GFADRO COc1cc(NC(=O)c2cn([C@@H]3CCC[NH2+]CC3)nn2)ccc1Br ZINC000662491108 565370790 /nfs/dbraw/zinc/37/07/90/565370790.db2.gz ZPBMQGRSASUUCK-GFCCVEGCSA-N 1 0 394.273 2.616 20 0 GFADRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3sc4c(c3Br)CNC4)CC[C@H]21 ZINC000662502153 565372601 /nfs/dbraw/zinc/37/26/01/565372601.db2.gz JSOGNIDOOQMVKG-CMPLNLGQSA-N 1 0 384.343 2.670 20 0 GFADRO O=C(N1CCN([C@@H]2CC[NH2+]C2)CC1)C1(c2c(Cl)cccc2Cl)CCC1 ZINC000662517236 565373933 /nfs/dbraw/zinc/37/39/33/565373933.db2.gz LGPYUJMQCZFDGO-CQSZACIVSA-N 1 0 382.335 2.921 20 0 GFADRO O=C(NCc1cc(Br)c2c(c1)OCCO2)C1([NH2+]C2CC2)CCC1 ZINC000662539645 565375911 /nfs/dbraw/zinc/37/59/11/565375911.db2.gz GSROJQHRLOMCML-UHFFFAOYSA-N 1 0 381.270 2.511 20 0 GFADRO Cc1cc(I)cc(C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)c1C ZINC000594102703 565376423 /nfs/dbraw/zinc/37/64/23/565376423.db2.gz QNRODRLTHVWAFG-XBXGTLAGSA-N 1 0 386.277 2.978 20 0 GFADRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)c2c(F)cccc2I)C1 ZINC000594102329 565376475 /nfs/dbraw/zinc/37/64/75/565376475.db2.gz KCUVUKROCLYLJO-AOOOYVTPSA-N 1 0 376.213 2.500 20 0 GFADRO Cc1c(F)c(Br)ccc1C(=O)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000662570316 565377360 /nfs/dbraw/zinc/37/73/60/565377360.db2.gz BEXDZUOOWNCFIW-UHFFFAOYSA-N 1 0 398.320 2.843 20 0 GFADRO C[C@@H](CC(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1)n1cc(Br)cn1 ZINC000662588175 565378673 /nfs/dbraw/zinc/37/86/73/565378673.db2.gz RHECGYDCVPMUOA-ZFWWWQNUSA-N 1 0 383.334 2.835 20 0 GFADRO O=C(c1cnnn1C1CC[NH2+]CC1)N1CCc2ccc(Cl)c(Cl)c2C1 ZINC000662628790 565380013 /nfs/dbraw/zinc/38/00/13/565380013.db2.gz ULWOIJLFENJWKS-UHFFFAOYSA-N 1 0 380.279 2.708 20 0 GFADRO [NH3+]C1(CNC(=O)[C@@H](c2ccc(Cl)cc2Cl)N2CCOCC2)CCCC1 ZINC000662650369 565380320 /nfs/dbraw/zinc/38/03/20/565380320.db2.gz TUKGECHXBAPFMH-MRXNPFEDSA-N 1 0 386.323 2.754 20 0 GFADRO CC(C)([NH3+])c1cc(C(=O)N2CCc3c(F)cc(Br)cc3C2)on1 ZINC000662657701 565380469 /nfs/dbraw/zinc/38/04/69/565380469.db2.gz WAZDZUQGGOSQAL-UHFFFAOYSA-N 1 0 382.233 2.969 20 0 GFADRO CCc1nnc(SCC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)o1 ZINC000641561858 565382707 /nfs/dbraw/zinc/38/27/07/565382707.db2.gz DKLXRLLXYHMLJD-UHFFFAOYSA-N 1 0 378.523 2.912 20 0 GFADRO CC[C@@H]1CN(C(=O)[C@@H]2CCO[C@H]2c2cncc(Br)c2)CC[C@H]1[NH3+] ZINC000662774196 565384082 /nfs/dbraw/zinc/38/40/82/565384082.db2.gz MEFSDXZIAOIEHL-MPESAESLSA-N 1 0 382.302 2.508 20 0 GFADRO O=C(c1cc(Cl)cc(Br)c1)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000620480364 565385018 /nfs/dbraw/zinc/38/50/18/565385018.db2.gz BMZFOOKTMNRCLF-OAHLLOKOSA-N 1 0 387.705 2.774 20 0 GFADRO Cc1c(C[NH3+])c(NC(=O)[C@@H](C)Cc2ccc(F)c(Br)c2)nn1C ZINC000662836175 565386730 /nfs/dbraw/zinc/38/67/30/565386730.db2.gz WCUFMKUUNMVTNX-VIFPVBQESA-N 1 0 383.265 2.906 20 0 GFADRO C[C@@H](C[NH+](C)C)[C@H]1CCCCN1S(=O)(=O)c1ncccc1Br ZINC000641622869 565387255 /nfs/dbraw/zinc/38/72/55/565387255.db2.gz CWSQYCDRNJQGES-GXTWGEPZSA-N 1 0 390.347 2.585 20 0 GFADRO CC[NH+]1CCN(CC(=O)N[C@@H]2CCCCc3cc(Br)ccc32)CC1 ZINC000620494425 565387503 /nfs/dbraw/zinc/38/75/03/565387503.db2.gz LMWGDJZTICYDCS-GOSISDBHSA-N 1 0 394.357 2.970 20 0 GFADRO C[NH+]1CCN(C(C)(C)CNC(=O)NCCc2cc(Cl)cc(Cl)c2)CC1 ZINC000620554016 565388326 /nfs/dbraw/zinc/38/83/26/565388326.db2.gz PAEIPNTZFVPXQZ-UHFFFAOYSA-N 1 0 387.355 2.861 20 0 GFADRO Cc1cc(NC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)cc(F)c1Br ZINC000662902853 565389747 /nfs/dbraw/zinc/38/97/47/565389747.db2.gz UTIATPUBZJFEKG-OLZOCXBDSA-N 1 0 398.276 2.530 20 0 GFADRO CCOc1cc(Br)c(CC(=O)N[C@]2(C)CC[NH2+]C2)cc1OCC ZINC000663004380 565391860 /nfs/dbraw/zinc/39/18/60/565391860.db2.gz DTOMZAQOEDQWOG-QGZVFWFLSA-N 1 0 385.302 2.657 20 0 GFADRO N[C@H](C(=O)NC[C@H]1CCC[N@H+](CC2CC2)C1)c1ccccc1Br ZINC000663004128 565392613 /nfs/dbraw/zinc/39/26/13/565392613.db2.gz PNZQMMDOBGHQID-PBHICJAKSA-N 1 0 380.330 2.687 20 0 GFADRO COc1cc(Br)c(S(=O)(=O)NCCC(C)(C)[NH3+])cc1Cl ZINC000641806723 565400109 /nfs/dbraw/zinc/40/01/09/565400109.db2.gz QLRWLMQNOUOGBV-UHFFFAOYSA-N 1 0 385.711 2.517 20 0 GFADRO CS(=O)(=O)c1cccc(Cl)c1C(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000620932825 565402144 /nfs/dbraw/zinc/40/21/44/565402144.db2.gz IASPOZCQMLITFH-UHFFFAOYSA-N 1 0 384.929 2.595 20 0 GFADRO C[NH+](C)CCC[C@@H]1CN(C(=O)c2c(F)cc(Br)cc2F)CCO1 ZINC000620971512 565403593 /nfs/dbraw/zinc/40/35/93/565403593.db2.gz JZKBBSVUXDXMRT-GFCCVEGCSA-N 1 0 391.256 2.910 20 0 GFADRO O=C(NC[C@H]1C[NH2+]CCCO1)N1CCC[C@H]1c1ccccc1Br ZINC000642000886 565404465 /nfs/dbraw/zinc/40/44/65/565404465.db2.gz DWZYTYSRKGVRMO-CJNGLKHVSA-N 1 0 382.302 2.674 20 0 GFADRO C[C@@H](CC(=O)NC[C@H]1CCC[N@H+](CC2CC2)C1)n1cc(Br)cn1 ZINC000621099747 565406336 /nfs/dbraw/zinc/40/63/36/565406336.db2.gz AJCQXADGLKKZFS-DZGCQCFKSA-N 1 0 383.334 2.835 20 0 GFADRO COc1ccc(Br)cc1C1(C(=O)N2CC[NH2+][C@H](C(C)C)C2)CC1 ZINC000621161086 565407870 /nfs/dbraw/zinc/40/78/70/565407870.db2.gz SWACNCWSTCFUGA-HNNXBMFYSA-N 1 0 381.314 2.946 20 0 GFADRO COc1ccc(Br)cc1C(=O)CCC(=O)N1CC[NH2+][C@@H](C(C)C)C1 ZINC000621148671 565408622 /nfs/dbraw/zinc/40/86/22/565408622.db2.gz UUGPQOKHCCICRS-OAHLLOKOSA-N 1 0 397.313 2.877 20 0 GFADRO CC(C)[C@@H]1CN(C(=O)C2CCN(C(=O)c3ccc(Cl)s3)CC2)CC[NH2+]1 ZINC000621152456 565408716 /nfs/dbraw/zinc/40/87/16/565408716.db2.gz XFDADKGQXSMFPW-AWEZNQCLSA-N 1 0 383.945 2.710 20 0 GFADRO CN([C@@H](C[NH3+])C(F)(F)F)S(=O)(=O)c1cc(Br)ccc1Cl ZINC000663311100 565411058 /nfs/dbraw/zinc/41/10/58/565411058.db2.gz LUZNPSQMVPNAFU-VIFPVBQESA-N 1 0 395.628 2.613 20 0 GFADRO CCSc1nnc(NC(=O)NCc2cccc(C[NH+]3CCCC3)c2)s1 ZINC000642400986 565412306 /nfs/dbraw/zinc/41/23/06/565412306.db2.gz WDERHEWCPKIUOH-UHFFFAOYSA-N 1 0 377.539 3.568 20 0 GFADRO C[C@@]1(NS(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[NH2+]C1 ZINC000663313669 565412608 /nfs/dbraw/zinc/41/26/08/565412608.db2.gz MAEFWNMUYLQOAY-LLVKDONJSA-N 1 0 376.322 2.755 20 0 GFADRO CC(C)[NH2+][C@@H]1CCCN(CCS(=O)(=O)c2ccc(Br)cc2)C1 ZINC000594745890 565414555 /nfs/dbraw/zinc/41/45/55/565414555.db2.gz MMKPZQGUXGERCG-OAHLLOKOSA-N 1 0 389.359 2.685 20 0 GFADRO C[C@@H]1C[NH+](C(C)(C)CNc2nnc3ccc(Br)cn32)C[C@@H](C)O1 ZINC000663366073 565414988 /nfs/dbraw/zinc/41/49/88/565414988.db2.gz GOSYZFILWGQFFN-VXGBXAGGSA-N 1 0 382.306 2.792 20 0 GFADRO CC(C)[C@H](CNc1ccc(S(N)(=O)=O)c(C(F)(F)F)c1)[NH+]1CCCC1 ZINC000663379487 565416662 /nfs/dbraw/zinc/41/66/62/565416662.db2.gz NVAMQLJNIZLGJS-AWEZNQCLSA-N 1 0 379.448 2.885 20 0 GFADRO CC(C)(CNC(=O)C(=O)NC[C@@H]1CCCC[NH2+]1)c1ccc(Cl)c(Cl)c1 ZINC000642724876 565417327 /nfs/dbraw/zinc/41/73/27/565417327.db2.gz WMGHNQZXBGCHDQ-ZDUSSCGKSA-N 1 0 386.323 2.646 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+]C[C@@H](CO)c2ccc(Cl)cc2)cc1Cl ZINC000642798896 565418646 /nfs/dbraw/zinc/41/86/46/565418646.db2.gz MEOWTGPJUKUILY-ZDUSSCGKSA-N 1 0 389.304 2.507 20 0 GFADRO CCCc1ccc(C[NH2+]C2CCN(S(=O)(=O)C3CCOCC3)CC2)s1 ZINC000621337311 565422263 /nfs/dbraw/zinc/42/22/63/565422263.db2.gz UUGKAJPOQJGGED-UHFFFAOYSA-N 1 0 386.583 2.763 20 0 GFADRO C[C@@H]1CC[N@H+](C[C@H](O)COc2ccc(Cl)cc2Br)C[C@@H]1CO ZINC000621367373 565423497 /nfs/dbraw/zinc/42/34/97/565423497.db2.gz ZRZQOBPOSRPKAQ-BZPMIXESSA-N 1 0 392.721 2.793 20 0 GFADRO C[C@@H]1CC[N@H+](C[C@@H](O)COc2ccc(Cl)cc2Br)C[C@@H]1CO ZINC000621367376 565423569 /nfs/dbraw/zinc/42/35/69/565423569.db2.gz ZRZQOBPOSRPKAQ-YRGRVCCFSA-N 1 0 392.721 2.793 20 0 GFADRO C[C@]1(NC(=O)Nc2cc(Br)cc(C(=O)N3CCCC3)c2)CC[NH2+]C1 ZINC000663594474 565428253 /nfs/dbraw/zinc/42/82/53/565428253.db2.gz YLIYFOXYIQPMQT-KRWDZBQOSA-N 1 0 395.301 2.559 20 0 GFADRO O=C(c1cc2c(cc1Br)OCO2)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000621642300 565433810 /nfs/dbraw/zinc/43/38/10/565433810.db2.gz JUCQYOOOTWYXGE-BXUZGUMPSA-N 1 0 381.270 2.782 20 0 GFADRO CN(Cc1ccc(Cl)s1)C(=O)C(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000643477216 565433984 /nfs/dbraw/zinc/43/39/84/565433984.db2.gz YLUMKEXPRXPTGG-ZIAGYGMSSA-N 1 0 383.945 2.598 20 0 GFADRO COC(=O)[C@@H]1C[C@H]1[C@H](C)[NH2+]CCC(=O)N(C)Cc1ccccc1Br ZINC000594924386 565436170 /nfs/dbraw/zinc/43/61/70/565436170.db2.gz NKIUNXTZNNROPY-AEGPPILISA-N 1 0 397.313 2.585 20 0 GFADRO O=C(CC[C@H]1CCC[NH2+]C1)N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000621660753 565436212 /nfs/dbraw/zinc/43/62/12/565436212.db2.gz VLEGEEXGNZVYBE-MLGOLLRUSA-N 1 0 384.307 2.995 20 0 GFADRO COC[C@H]([NH2+]Cc1ccc(I)cc1)C1CCOCC1 ZINC000594956623 565437217 /nfs/dbraw/zinc/43/72/17/565437217.db2.gz KFJIEWJVVUOGIG-HNNXBMFYSA-N 1 0 375.250 2.822 20 0 GFADRO C[C@H](Cn1cncn1)[NH2+]Cc1ccc(I)c(Cl)c1 ZINC000595038328 565444804 /nfs/dbraw/zinc/44/48/04/565444804.db2.gz JOSSNGLZAMDRGV-SECBINFHSA-N 1 0 376.629 2.714 20 0 GFADRO COC[C@@H](CC[NH2+][C@H]1CCc2ccc(I)cc21)OC ZINC000595058999 565446218 /nfs/dbraw/zinc/44/62/18/565446218.db2.gz FBFNQPROLQQXKW-HIFRSBDPSA-N 1 0 375.250 2.920 20 0 GFADRO O=C(NCC[NH2+][C@@H]1CCc2ccc(I)cc21)c1ccco1 ZINC000595003002 565441097 /nfs/dbraw/zinc/44/10/97/565441097.db2.gz AVGPZNOZYJWRGB-CQSZACIVSA-N 1 0 396.228 2.891 20 0 GFADRO NC(=O)C1(C[NH2+][C@@H]2CCc3ccc(I)cc32)CCCC1 ZINC000595009794 565442203 /nfs/dbraw/zinc/44/22/03/565442203.db2.gz SGRJROXTPYZRJB-CQSZACIVSA-N 1 0 384.261 2.914 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCc2ccc(I)cc21)C(=O)N1CCCC1 ZINC000595039513 565444900 /nfs/dbraw/zinc/44/49/00/565444900.db2.gz PVTUEJMULLOABD-XHDPSFHLSA-N 1 0 384.261 2.879 20 0 GFADRO CC(C)[C@@H]([NH3+])CNC(=O)NCc1cc(Cl)ccc1I ZINC000595266779 565460142 /nfs/dbraw/zinc/46/01/42/565460142.db2.gz BVEWBPQSZFWWQI-LBPRGKRZSA-N 1 0 395.672 2.727 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCC[C@H]([S@](C)=O)C1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000595071213 565447199 /nfs/dbraw/zinc/44/71/99/565447199.db2.gz PMWHIVDOPYZJKY-ZYMUVWPBSA-N 1 0 384.567 2.567 20 0 GFADRO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)NCc1ccc(Br)cc1 ZINC000664026108 565449142 /nfs/dbraw/zinc/44/91/42/565449142.db2.gz YNBDESDGHQHGKR-AWEZNQCLSA-N 1 0 385.350 2.520 20 0 GFADRO C[N@@H+]1CC[C@@H](NC(=O)c2cc(Br)c[nH]c2=O)[C@@H]1c1ccccc1 ZINC000621933993 565449819 /nfs/dbraw/zinc/44/98/19/565449819.db2.gz CLOVDRCTIPGJCP-CABCVRRESA-N 1 0 376.254 2.725 20 0 GFADRO CC(C)(C)c1nn(CC(=O)NC2CC[NH+](C3CC3)CC2)cc1Br ZINC000664048030 565450476 /nfs/dbraw/zinc/45/04/76/565450476.db2.gz BIPLMCWYOFKQOG-UHFFFAOYSA-N 1 0 383.334 2.686 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CC[NH2+]C[C@@H]1CNc2ccnn2C1 ZINC000595146839 565451004 /nfs/dbraw/zinc/45/10/04/565451004.db2.gz QBUZZUSTHCMZPF-CYBMUJFWSA-N 1 0 392.301 2.614 20 0 GFADRO C[C@H](CCNC(=O)N[C@@H]1CCN(c2ccccc2Br)C1)[NH+](C)C ZINC000664084688 565452414 /nfs/dbraw/zinc/45/24/14/565452414.db2.gz ADZDCFSXYMPXKG-ZIAGYGMSSA-N 1 0 383.334 2.667 20 0 GFADRO CC1(C)C[NH2+][C@@H]1C(=O)N1CCC(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000643985686 565453804 /nfs/dbraw/zinc/45/38/04/565453804.db2.gz LXLJUCLJPFNWKC-OAHLLOKOSA-N 1 0 394.313 2.624 20 0 GFADRO Cc1cccc(Br)c1C(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000643983230 565454324 /nfs/dbraw/zinc/45/43/24/565454324.db2.gz FLTNTZMCBHPGJX-INIZCTEOSA-N 1 0 394.357 2.998 20 0 GFADRO O=C(NCc1cc(Br)ccc1OC(F)F)[C@@H]1C[NH2+]CCC1(F)F ZINC000644016382 565454892 /nfs/dbraw/zinc/45/48/92/565454892.db2.gz BNAVBJGEVYWTQU-JTQLQIEISA-N 1 0 399.182 2.912 20 0 GFADRO [NH3+][C@]12CCC[C@H]1CN(S(=O)(=O)c1ccc(Br)cc1Cl)C2 ZINC000622013714 565455252 /nfs/dbraw/zinc/45/52/52/565455252.db2.gz UUDYPDIRWRLZNR-ZANVPECISA-N 1 0 379.707 2.604 20 0 GFADRO Cc1cc(COc2ccc(C(=O)NCC[NH2+]C3CC3)cc2Br)no1 ZINC000644084195 565457432 /nfs/dbraw/zinc/45/74/32/565457432.db2.gz LLRIBLCPGUJTRV-UHFFFAOYSA-N 1 0 394.269 2.806 20 0 GFADRO C[C@H]1[NH2+]CC[C@@H]1C(=O)NCc1cc(Cl)ccc1I ZINC000595255574 565458884 /nfs/dbraw/zinc/45/88/84/565458884.db2.gz FPRRQNJCRCXQDH-KCJUWKMLSA-N 1 0 378.641 2.559 20 0 GFADRO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCc1cc(Cl)ccc1I ZINC000595256005 565459095 /nfs/dbraw/zinc/45/90/95/565459095.db2.gz KPRBVZOSEAPTRU-AAEUAGOBSA-N 1 0 392.668 2.949 20 0 GFADRO CN(CCC[N@H+](C)Cc1ccco1)C(=O)c1cc(Br)c[nH]c1=O ZINC000622052033 565459581 /nfs/dbraw/zinc/45/95/81/565459581.db2.gz ZVIKCXLIQFKECW-UHFFFAOYSA-N 1 0 382.258 2.737 20 0 GFADRO CC[C@H](Cc1cccc(Br)c1)C(=O)NC[C@]1(COC)CCC[NH2+]1 ZINC000644125784 565459720 /nfs/dbraw/zinc/45/97/20/565459720.db2.gz NLWSTQGOICVXGI-QAPCUYQASA-N 1 0 383.330 2.903 20 0 GFADRO O=C(NCCC[C@@H]1CCC[NH2+]1)c1cc(=O)[nH]c2ccc(Br)cc21 ZINC000644132615 565460579 /nfs/dbraw/zinc/46/05/79/565460579.db2.gz DFAZCCQTMAUJBJ-LBPRGKRZSA-N 1 0 378.270 2.965 20 0 GFADRO O[C@@H]1CC[N@@H+](C2CCN(c3ccc(Br)c(C(F)(F)F)n3)CC2)C1 ZINC000664598889 565468976 /nfs/dbraw/zinc/46/89/76/565468976.db2.gz XMTAQZUSQROSQG-LLVKDONJSA-N 1 0 394.235 2.898 20 0 GFADRO O[C@H]1CC[N@@H+](C2CCN(c3ncnc4cc(F)c(Br)cc43)CC2)C1 ZINC000664599958 565469012 /nfs/dbraw/zinc/46/90/12/565469012.db2.gz QDFOHUKYQBMIAU-LBPRGKRZSA-N 1 0 395.276 2.567 20 0 GFADRO C[C@@H]1CO[C@@H](C)CN1CCNC(=O)N[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000664777232 565478639 /nfs/dbraw/zinc/47/86/39/565478639.db2.gz AHOOWBHXRWSVJW-OSRSDYAFSA-N 1 0 396.329 2.713 20 0 GFADRO C[C@H](CCNC(=O)NCc1nc(-c2cccc(Br)c2)no1)[NH+](C)C ZINC000664784004 565479212 /nfs/dbraw/zinc/47/92/12/565479212.db2.gz XMGMQSNXRGXMBH-LLVKDONJSA-N 1 0 396.289 2.639 20 0 GFADRO Cc1ccn2cc(C[NH2+]C[C@@H](O)COc3cccc(Br)c3)nc2c1 ZINC000644527222 565480887 /nfs/dbraw/zinc/48/08/87/565480887.db2.gz WWHIFWCBEIZHQB-MRXNPFEDSA-N 1 0 390.281 2.935 20 0 GFADRO CN(CC[NH2+]C[C@H](O)COc1ccc(Cl)c(Cl)c1)CC(F)(F)F ZINC000644561548 565481381 /nfs/dbraw/zinc/48/13/81/565481381.db2.gz ZMLYCRFGIKBGHV-JTQLQIEISA-N 1 0 375.218 2.817 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C(=O)N1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC000644811353 565495632 /nfs/dbraw/zinc/49/56/32/565495632.db2.gz ABLFUNSHKANWNR-GUYCJALGSA-N 1 0 389.297 2.719 20 0 GFADRO CC1(C)C[C@H](NCc2nc(C[NH3+])cc(=O)[nH]2)c2cc(Br)ccc21 ZINC000665292688 565496240 /nfs/dbraw/zinc/49/62/40/565496240.db2.gz HLRPYCPVCCGICK-AWEZNQCLSA-N 1 0 377.286 2.916 20 0 GFADRO O=C(CNC(=O)C[N@@H+]1CC[C@H](C2CCC2)C1)Nc1ccccc1Br ZINC000665288481 565496297 /nfs/dbraw/zinc/49/62/97/565496297.db2.gz OXGDQCPLGJJUTH-AWEZNQCLSA-N 1 0 394.313 2.626 20 0 GFADRO C[NH+]1CCC(C(=O)NCc2c(F)c(F)c(Br)c(F)c2F)CC1 ZINC000644848610 565498286 /nfs/dbraw/zinc/49/82/86/565498286.db2.gz HMDHNKHCVWIONN-UHFFFAOYSA-N 1 0 383.183 2.964 20 0 GFADRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)N2CCc3ccc(F)c(Br)c3C2)C1 ZINC000623187941 565499392 /nfs/dbraw/zinc/49/93/92/565499392.db2.gz BPXCPDUAUMTDHW-BJHJDKERSA-N 1 0 384.293 2.996 20 0 GFADRO COC(=O)CSCc1cccc(NC(=O)[C@]2(C(F)(F)F)CC[NH2+]C2)c1 ZINC000595937129 565500387 /nfs/dbraw/zinc/50/03/87/565500387.db2.gz QKWRDJORMXSAIV-HNNXBMFYSA-N 1 0 376.400 2.573 20 0 GFADRO CC(C)[C@H]([NH3+])CCNC(=O)c1cc(F)c(F)cc1I ZINC000595951997 565501991 /nfs/dbraw/zinc/50/19/91/565501991.db2.gz VJESIFMYUZBZJL-GFCCVEGCSA-N 1 0 382.192 2.673 20 0 GFADRO COC(=O)c1sc2c(c1Br)CN(C(=O)[C@@]1(C)CCC[NH2+]C1)C2 ZINC000595988894 565503341 /nfs/dbraw/zinc/50/33/41/565503341.db2.gz FTLUDXGIMCPBCD-HNNXBMFYSA-N 1 0 387.299 2.529 20 0 GFADRO COC(=O)c1sc2c(c1Br)CN(C(=O)[C@H]1CCC[NH2+]CC1)C2 ZINC000595985728 565503460 /nfs/dbraw/zinc/50/34/60/565503460.db2.gz AQKFCMGHABHCKV-VIFPVBQESA-N 1 0 387.299 2.529 20 0 GFADRO O=C(NCCc1ccc(I)cc1)C1([NH2+]C2CC2)CCC1 ZINC000595986453 565503767 /nfs/dbraw/zinc/50/37/67/565503767.db2.gz JGWOMSPTYYDOBJ-UHFFFAOYSA-N 1 0 384.261 2.625 20 0 GFADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)Cc2ccc(Br)cc2F)C1 ZINC000665538322 565504235 /nfs/dbraw/zinc/50/42/35/565504235.db2.gz IWSBXOLVLMXOMB-HNNXBMFYSA-N 1 0 387.293 2.604 20 0 GFADRO COC(=O)c1sc2c(c1Br)CN(C(=O)CC1CC[NH2+]CC1)C2 ZINC000596002088 565506105 /nfs/dbraw/zinc/50/61/05/565506105.db2.gz RGGRYAFYZRYHPF-UHFFFAOYSA-N 1 0 387.299 2.529 20 0 GFADRO O=S(=O)(CC[NH2+]Cc1csc(C(F)(F)F)c1)NCc1ccccc1 ZINC000623378696 565507178 /nfs/dbraw/zinc/50/71/78/565507178.db2.gz MHDFCSLPFMXAGI-UHFFFAOYSA-N 1 0 378.441 2.976 20 0 GFADRO COc1cccc(C(=O)NCC[NH2+]Cc2cc(C)c(Br)cn2)c1 ZINC000623380717 565507224 /nfs/dbraw/zinc/50/72/24/565507224.db2.gz MNTCOWPGHLPCTI-UHFFFAOYSA-N 1 0 378.270 2.681 20 0 GFADRO C[C@H](CO)[C@H](C)[NH2+]Cc1cc(Cl)cc(Cl)c1OCCN1CCOCC1 ZINC000623427815 565509143 /nfs/dbraw/zinc/50/91/43/565509143.db2.gz NZAUUZRCSCBJTO-KGLIPLIRSA-N 1 0 391.339 2.811 20 0 GFADRO C[C@H](C[C@H](C)O)[NH2+]Cc1cc(Cl)cc(Cl)c1OCCN1CCOCC1 ZINC000623489205 565514520 /nfs/dbraw/zinc/51/45/20/565514520.db2.gz UVRSGYYTWDUIOT-KGLIPLIRSA-N 1 0 391.339 2.953 20 0 GFADRO NC(=O)C[C@H]([NH2+]Cc1cc2c(c(Br)c1)OCO2)c1ccccc1 ZINC000645207660 565516575 /nfs/dbraw/zinc/51/65/75/565516575.db2.gz HCZWTFHVVSCUOH-AWEZNQCLSA-N 1 0 377.238 2.884 20 0 GFADRO O[C@@H]1CC[N@H+](Cc2ccc(CNCc3ncc(Br)cc3F)cc2)C1 ZINC000623564158 565518967 /nfs/dbraw/zinc/51/89/67/565518967.db2.gz UIXPMRNGINEENI-MRXNPFEDSA-N 1 0 394.288 2.840 20 0 GFADRO Cc1cc(C[NH2+]CC2(S(C)(=O)=O)CCCCC2)ncc1Br ZINC000623569477 565519353 /nfs/dbraw/zinc/51/93/53/565519353.db2.gz IOPYZVPJFXXNHP-UHFFFAOYSA-N 1 0 375.332 2.990 20 0 GFADRO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)Nc1cc(Br)ccc1F ZINC000666046779 565520809 /nfs/dbraw/zinc/52/08/09/565520809.db2.gz FFILGCVQOMUQQU-LBPRGKRZSA-N 1 0 389.313 2.982 20 0 GFADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)c1cc(Br)c2ccccc2c1 ZINC000645383376 565523826 /nfs/dbraw/zinc/52/38/26/565523826.db2.gz UKAWDHGDEYODHK-OAHLLOKOSA-N 1 0 376.298 2.578 20 0 GFADRO C[C@H]1COCCN1CCNC(=O)NCC/C=C\c1ccc(Br)cc1 ZINC000623726375 565526255 /nfs/dbraw/zinc/52/62/55/565526255.db2.gz MTAJVYHCZAUVKN-HKLWWIALSA-N 1 0 396.329 2.872 20 0 GFADRO CN1CCOC[C@@H]1C[NH2+]Cc1ccc(Br)c(Br)c1 ZINC000623711691 565526450 /nfs/dbraw/zinc/52/64/50/565526450.db2.gz MLKYXRXORXERTI-NSHDSACASA-N 1 0 378.108 2.632 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH2+]C[C@H]1COCCN1C ZINC000623710523 565527048 /nfs/dbraw/zinc/52/70/48/565527048.db2.gz FWFJZQBSJJCQAT-KRWDZBQOSA-N 1 0 393.329 2.672 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+]C[C@H]2Cc3ccccc32)cc1Br ZINC000666256905 565528889 /nfs/dbraw/zinc/52/88/89/565528889.db2.gz JFIBELVDJYITGK-CYBMUJFWSA-N 1 0 381.295 2.526 20 0 GFADRO COc1cc(NC(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)ccc1Br ZINC000666250856 565529491 /nfs/dbraw/zinc/52/94/91/565529491.db2.gz YOQIDYGVOZRBSO-AWEZNQCLSA-N 1 0 398.301 2.833 20 0 GFADRO C[N@@H+]1CCC[C@@H](NC(=O)Nc2ccc(I)cc2F)C1 ZINC000597016930 565545102 /nfs/dbraw/zinc/54/51/02/565545102.db2.gz FJPRRODVLBCHJD-SNVBAGLBSA-N 1 0 377.201 2.646 20 0 GFADRO O=S(=O)(Cc1cc(Cl)ccc1Br)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000645490190 565530097 /nfs/dbraw/zinc/53/00/97/565530097.db2.gz FCNNFIOKLRCPBJ-LBPRGKRZSA-N 1 0 393.734 2.759 20 0 GFADRO Cc1noc([C@@H]2OCC[C@@H]2[NH2+]Cc2cc(Br)cc3c2OCC3)n1 ZINC000623815582 565531771 /nfs/dbraw/zinc/53/17/71/565531771.db2.gz IKIDEZWUCXAZSD-DZGCQCFKSA-N 1 0 380.242 2.695 20 0 GFADRO Ic1ccc2c(c1)[C@H](NCC13CC(C1)C[NH2+]3)CCCO2 ZINC000596655058 565531857 /nfs/dbraw/zinc/53/18/57/565531857.db2.gz SMYXDBBFIIYDAA-OFWKBQFLSA-N 1 0 384.261 2.847 20 0 GFADRO COCC[N@H+](C)CCCNC(=O)c1cc2c(ccc(Br)c2C)[nH]1 ZINC000666343240 565532331 /nfs/dbraw/zinc/53/23/31/565532331.db2.gz YZVRIWVNDSORCT-UHFFFAOYSA-N 1 0 382.302 2.937 20 0 GFADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)NCc1csc(C(F)(F)F)c1 ZINC000623900721 565534953 /nfs/dbraw/zinc/53/49/53/565534953.db2.gz QSPRCIOFAKKAII-GFCCVEGCSA-N 1 0 378.464 2.592 20 0 GFADRO Cc1cccc2cc(S(=O)(=O)N3CCC([N@H+](C)CCCO)CC3)sc21 ZINC000645559731 565538086 /nfs/dbraw/zinc/53/80/86/565538086.db2.gz MNFODIMNZIPLMJ-UHFFFAOYSA-N 1 0 382.551 2.677 20 0 GFADRO C[C@@H](C[S@@](C)=O)NC(=O)Nc1nc2ccc(C[N@H+](C)C3CC3)cc2s1 ZINC000596997274 565543896 /nfs/dbraw/zinc/54/38/96/565543896.db2.gz CPQDNOIKCDCJQF-JPQMIFPKSA-N 1 0 380.539 2.779 20 0 GFADRO CC(C)Sc1c(Cl)cccc1NC(=O)C(=O)N1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC000645624339 565544967 /nfs/dbraw/zinc/54/49/67/565544967.db2.gz BCIFGUKTPNTABS-WFASDCNBSA-N 1 0 381.929 2.942 20 0 GFADRO CC(C)c1cc(Br)ccc1NC(=O)C(=O)N1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC000645621003 565545248 /nfs/dbraw/zinc/54/52/48/565545248.db2.gz IYZRYSWHKVJABG-LRDDRELGSA-N 1 0 394.313 2.674 20 0 GFADRO O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1cc(Br)cc2c1OCCO2 ZINC000666607764 565545779 /nfs/dbraw/zinc/54/57/79/565545779.db2.gz CGIWNONBVKFZOO-STQMWFEESA-N 1 0 381.270 2.577 20 0 GFADRO CN1CCOC[C@@H]1C[NH2+][C@H](c1cccc(Br)c1)C1CCOCC1 ZINC000624176631 565546799 /nfs/dbraw/zinc/54/67/99/565546799.db2.gz PGJWVEBNDAWTFV-ROUUACIJSA-N 1 0 383.330 2.837 20 0 GFADRO Cn1cc(Br)c(=O)c(NC(=O)NCC(C)(C)[NH+]2CCCCC2)c1 ZINC000666687602 565547818 /nfs/dbraw/zinc/54/78/18/565547818.db2.gz XDCFMCTUSOOBSZ-UHFFFAOYSA-N 1 0 385.306 2.534 20 0 GFADRO C[N@H+]1CC=C(CNC(=O)Nc2ccc(I)cc2F)CC1 ZINC000597023770 565548381 /nfs/dbraw/zinc/54/83/81/565548381.db2.gz BKSFLMOTFFXJQP-UHFFFAOYSA-N 1 0 389.212 2.814 20 0 GFADRO C[C@@H]([NH2+]CCN1CC[C@@H](O)C1)c1ccc(Br)cc1Br ZINC000624225907 565548806 /nfs/dbraw/zinc/54/88/06/565548806.db2.gz DWEHBQWFQAQVAN-ZYHUDNBSSA-N 1 0 392.135 2.929 20 0 GFADRO O[C@@H](C[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)COc1ccc(I)cc1 ZINC000597054421 565550459 /nfs/dbraw/zinc/55/04/59/565550459.db2.gz UIRZZKBJRVLLQR-SHPPOPEUSA-N 1 0 387.261 2.809 20 0 GFADRO COC(=O)[C@@H]1OCC[C@@H]1[NH2+]Cc1ccc(Br)cc1C(F)(F)F ZINC000597186294 565554318 /nfs/dbraw/zinc/55/43/18/565554318.db2.gz IFIPAGORPXPLSY-NWDGAFQWSA-N 1 0 382.176 2.888 20 0 GFADRO Cc1cccc(NC(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)c1Br ZINC000666731958 565554583 /nfs/dbraw/zinc/55/45/83/565554583.db2.gz GHWCEGGTGSAIHD-AWEZNQCLSA-N 1 0 382.302 2.820 20 0 GFADRO CC(C)Oc1ccc(S(=O)(=O)N2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1 ZINC000624390515 565554772 /nfs/dbraw/zinc/55/47/72/565554772.db2.gz CWADCOFMACONPI-WFASDCNBSA-N 1 0 380.432 2.622 20 0 GFADRO COC(=O)[C@H]1C[C@@H]([NH2+]Cc2cn(-c3ccc(Br)cc3)nc2C)C1 ZINC000597220721 565555188 /nfs/dbraw/zinc/55/51/88/565555188.db2.gz JVOYZKMXOHEGNS-JNSHFYNHSA-N 1 0 378.270 2.984 20 0 GFADRO Cc1nc2ccc(S(=O)(=O)N3CC[C@H](C(F)(F)F)[C@H](C[NH3+])C3)cc2s1 ZINC000624392694 565555453 /nfs/dbraw/zinc/55/54/53/565555453.db2.gz XHIUBDMHWCKSCQ-PWSUYJOCSA-N 1 0 393.456 2.753 20 0 GFADRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)[C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21 ZINC000624486999 565558997 /nfs/dbraw/zinc/55/89/97/565558997.db2.gz WFVFIAGHCFHOHI-PHTTXTFCSA-N 1 0 375.310 2.935 20 0 GFADRO Cn1ncc(C(F)(F)F)c1CNC(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000624510137 565561339 /nfs/dbraw/zinc/56/13/39/565561339.db2.gz OLNSLSXSDIPURU-GFCCVEGCSA-N 1 0 375.420 2.603 20 0 GFADRO O=C(Cc1ccc(I)cc1)NCC12CCC[NH+]1CCC2 ZINC000597589601 565566505 /nfs/dbraw/zinc/56/65/05/565566505.db2.gz VGWPOKKHPFRTLH-UHFFFAOYSA-N 1 0 384.261 2.578 20 0 GFADRO [NH3+][C@@H]1CCCC[C@H]1CC(=O)NCc1nnc(-c2ccc(Br)cc2)[nH]1 ZINC000645871639 565569625 /nfs/dbraw/zinc/56/96/25/565569625.db2.gz VRRCDWKFOLUYSI-GXTWGEPZSA-N 1 0 392.301 2.758 20 0 GFADRO COCC[C@H](NC(=O)NC[C@H]1COCCN1C)c1ccc(Cl)c(Cl)c1 ZINC000624731393 565573632 /nfs/dbraw/zinc/57/36/32/565573632.db2.gz JPIKHIXDXNICLS-BBRMVZONSA-N 1 0 390.311 2.701 20 0 GFADRO COc1cc(CNC(=O)N2CC[NH+](C3CCC3)CC2)c(Br)cc1O ZINC000645922540 565574566 /nfs/dbraw/zinc/57/45/66/565574566.db2.gz BLKYIJJGHFKRFB-UHFFFAOYSA-N 1 0 398.301 2.543 20 0 GFADRO CC[NH+](CC)CCCNS(=O)(=O)c1c(OC)cccc1OC(F)(F)F ZINC000624793163 565575795 /nfs/dbraw/zinc/57/57/95/565575795.db2.gz JZKKGWWVUIXLGV-UHFFFAOYSA-N 1 0 384.420 2.604 20 0 GFADRO COCC[N@@H+]1CCCN(C(=O)CCc2ccc(OC)cc2Br)CC1 ZINC000667196513 565576140 /nfs/dbraw/zinc/57/61/40/565576140.db2.gz YVRPKXNYEREWEH-UHFFFAOYSA-N 1 0 399.329 2.571 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CN(C(=O)Nc2cc(Br)ccc2N2CCCC2)CCO1 ZINC000667225151 565577872 /nfs/dbraw/zinc/57/78/72/565577872.db2.gz QTJUWLIKBMOSCH-WBMJQRKESA-N 1 0 397.317 2.629 20 0 GFADRO CN(CCC[NH3+])C(=O)Nc1cccc(Oc2ncc(Br)cn2)c1 ZINC000667236607 565579406 /nfs/dbraw/zinc/57/94/06/565579406.db2.gz MYZDFJOYESTHJX-UHFFFAOYSA-N 1 0 380.246 2.844 20 0 GFADRO COc1ccc(Br)cc1C1([NH2+]C[C@H]2CCCS(=O)(=O)C2)CC1 ZINC000645973836 565579617 /nfs/dbraw/zinc/57/96/17/565579617.db2.gz RVPJSFANTFBUSX-GFCCVEGCSA-N 1 0 388.327 2.861 20 0 GFADRO O=C(NC[C@@H]1CCCC[NH2+]1)C(=O)Nc1cccnc1-c1ccc(Cl)s1 ZINC000667265997 565580440 /nfs/dbraw/zinc/58/04/40/565580440.db2.gz JBDCCLAMHVQPRA-NSHDSACASA-N 1 0 378.885 2.660 20 0 GFADRO O=C(Nc1cc(Cl)c(Cl)cc1Cl)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000667375729 565583395 /nfs/dbraw/zinc/58/33/95/565583395.db2.gz IJHBTIPOIYTSQT-BDAKNGLRSA-N 1 0 376.671 2.938 20 0 GFADRO CNC(=O)[C@@]1(C(F)(F)F)CC[N@H+](CCC(=O)Nc2ccccc2Cl)C1 ZINC000646109611 565585859 /nfs/dbraw/zinc/58/58/59/565585859.db2.gz WKWFXTZYLCNSCY-OAHLLOKOSA-N 1 0 377.794 2.669 20 0 GFADRO CCN(C(=O)c1cc(F)ccc1I)[C@@H]1CC[N@H+](CC)C1 ZINC000598039869 565589362 /nfs/dbraw/zinc/58/93/62/565589362.db2.gz AXTVDMDPCLINOP-GFCCVEGCSA-N 1 0 390.240 2.987 20 0 GFADRO CCN(C(=O)Cc1cccc(I)c1)[C@H]1CC[N@H+](CC)C1 ZINC000598040718 565589811 /nfs/dbraw/zinc/58/98/11/565589811.db2.gz RBOWCACBXQTUOV-HNNXBMFYSA-N 1 0 386.277 2.776 20 0 GFADRO COC[C@]1(CNC(=O)Nc2cc(-c3ccc(Cl)s3)nn2C)CCC[NH2+]1 ZINC000667501949 565590133 /nfs/dbraw/zinc/59/01/33/565590133.db2.gz NFXIQGSAQIJMSQ-MRXNPFEDSA-N 1 0 383.905 2.692 20 0 GFADRO Cc1cc(Br)c(F)cc1S(=O)(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000625019254 565590235 /nfs/dbraw/zinc/59/02/35/565590235.db2.gz XOXULNCGMJAJEN-MNOVXSKESA-N 1 0 379.295 2.658 20 0 GFADRO O=C(Nc1n[nH]cc1Br)[C@@]12CCC[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000646213838 565590350 /nfs/dbraw/zinc/59/03/50/565590350.db2.gz BVWMCDRIJOWARH-RDTXWAMCSA-N 1 0 389.297 3.413 20 0 GFADRO CS(=O)(=O)N[C@@H]1CCCN(Cc2cc3cc(Br)ccc3o2)C1 ZINC000667504430 565591312 /nfs/dbraw/zinc/59/13/12/565591312.db2.gz RUFUATJHPGMTKB-CYBMUJFWSA-N 1 0 387.299 2.709 20 0 GFADRO Cc1c(F)c(Br)ccc1NC(=O)NC[C@@H]1CCCC[N@@H+]1CCO ZINC000667504438 565591433 /nfs/dbraw/zinc/59/14/33/565591433.db2.gz SHHFSWAMOCTXOU-LBPRGKRZSA-N 1 0 388.281 2.865 20 0 GFADRO C[NH+]1CCC2(CCN(C(=O)c3n[nH]c4ccc(Br)cc43)C2)CC1 ZINC000646248003 565591735 /nfs/dbraw/zinc/59/17/35/565591735.db2.gz MPAXEVHCBHGCBG-UHFFFAOYSA-N 1 0 377.286 2.883 20 0 GFADRO COc1ccc(Br)cc1CC(=O)N1CCC2(C1)CC[NH+](C)CC2 ZINC000646246190 565591893 /nfs/dbraw/zinc/59/18/93/565591893.db2.gz VYRWTENMXOTBPY-UHFFFAOYSA-N 1 0 381.314 2.945 20 0 GFADRO [NH3+][C@@H]1CCC[C@H](NC(=O)C(=O)Nc2cc(Br)c(F)cc2Cl)C1 ZINC000667525204 565592119 /nfs/dbraw/zinc/59/21/19/565592119.db2.gz BZTDTFLVRGHMCF-SFYZADRCSA-N 1 0 392.656 2.566 20 0 GFADRO CC(C)[C@H]1CN(C(=O)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)CC[NH2+]1 ZINC000667519624 565592151 /nfs/dbraw/zinc/59/21/51/565592151.db2.gz VWJOFORCHAEWQA-CYBMUJFWSA-N 1 0 377.794 2.754 20 0 GFADRO CC1([NH3+])CCN(C(=O)C(=O)Nc2cc(F)c(Br)cc2Cl)CC1 ZINC000667511970 565592606 /nfs/dbraw/zinc/59/26/06/565592606.db2.gz BRPOCZLBVNCSLZ-UHFFFAOYSA-N 1 0 392.656 2.520 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)C(=O)N1CC[C@H]([NH3+])[C@@H](CC)C1 ZINC000667550230 565594178 /nfs/dbraw/zinc/59/41/78/565594178.db2.gz IEKIAXPZLKUMJX-JSGCOSHPSA-N 1 0 382.302 2.536 20 0 GFADRO CC[C@@H]1CN(C(=O)C(=O)Nc2ccc(C(F)(F)F)cc2Cl)CC[C@H]1[NH3+] ZINC000667552175 565594547 /nfs/dbraw/zinc/59/45/47/565594547.db2.gz UENGDDYKFRNIHF-BXKDBHETSA-N 1 0 377.794 2.883 20 0 GFADRO CC[C@H]1CN(C(=O)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC[C@@H]1[NH3+] ZINC000667548511 565594628 /nfs/dbraw/zinc/59/46/28/565594628.db2.gz ORHHTCHDNUQORQ-ZANVPECISA-N 1 0 377.794 2.883 20 0 GFADRO CC[C@@H]1CN(C(=O)C(=O)Nc2cc(Cl)cc(Br)c2)CC[C@H]1[NH3+] ZINC000667548460 565594752 /nfs/dbraw/zinc/59/47/52/565594752.db2.gz NSXJYJWZQPUQOK-NOZJJQNGSA-N 1 0 388.693 2.627 20 0 GFADRO O=C(c1cc(Br)cc2c1OCCO2)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000667608696 565597230 /nfs/dbraw/zinc/59/72/30/565597230.db2.gz MZTAOOHCLHRPKX-CQSZACIVSA-N 1 0 395.297 2.921 20 0 GFADRO CC(=O)NCC1CC[NH+]([C@H]2CCc3cc(Br)ccc3NC2=O)CC1 ZINC000625104828 565598649 /nfs/dbraw/zinc/59/86/49/565598649.db2.gz ULKLMYFQAFLCLA-KRWDZBQOSA-N 1 0 394.313 2.551 20 0 GFADRO [NH3+]C[C@H]1CC[C@H](NC(=O)C(=O)Nc2ccccc2SCC(F)(F)F)C1 ZINC000667682086 565600662 /nfs/dbraw/zinc/60/06/62/565600662.db2.gz CKCTVUJMUJBRAG-QWRGUYRKSA-N 1 0 375.416 2.523 20 0 GFADRO C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1cn(-c2ccc(Br)cc2)cn1 ZINC000646472115 565603453 /nfs/dbraw/zinc/60/34/53/565603453.db2.gz BDYBJVXQBRAUCS-LRDDRELGSA-N 1 0 377.286 2.799 20 0 GFADRO [NH3+][C@H]1CCc2ncc(NC(=O)NCc3ccc(Br)cc3)cc2C1 ZINC000667807947 565605971 /nfs/dbraw/zinc/60/59/71/565605971.db2.gz DXADNBXFGOVFJF-AWEZNQCLSA-N 1 0 375.270 2.982 20 0 GFADRO COCC[N@@H+]1CC[C@H](NC(=O)Nc2cnc(-c3ccc(Cl)s3)nc2)C1 ZINC000646543755 565607301 /nfs/dbraw/zinc/60/73/01/565607301.db2.gz IQZQGZDYQUIYEX-NSHDSACASA-N 1 0 381.889 2.701 20 0 GFADRO C[C@H](NC(=O)Nc1ccc2c(c1F)CC[NH2+]C2)c1ncc(Br)cn1 ZINC000667834647 565607624 /nfs/dbraw/zinc/60/76/24/565607624.db2.gz MSROGZICZMIIOX-VIFPVBQESA-N 1 0 394.248 2.907 20 0 GFADRO CCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(OC)cc2I)C1 ZINC000598343902 565610873 /nfs/dbraw/zinc/61/08/73/565610873.db2.gz YBCWRZOWMXYVNX-LLVKDONJSA-N 1 0 388.249 2.514 20 0 GFADRO C[C@@H](CNC(=O)Nc1cccc(Br)c1F)C[NH+]1CCN(C)CC1 ZINC000667923181 565614005 /nfs/dbraw/zinc/61/40/05/565614005.db2.gz GKZLFBKAVIDPTN-LBPRGKRZSA-N 1 0 387.297 2.593 20 0 GFADRO CCCN(C(=O)C(=O)Nc1c(C)cc(C)cc1Br)[C@H]1CC[N@H+](C)C1 ZINC000646765775 565617910 /nfs/dbraw/zinc/61/79/10/565617910.db2.gz KZHPZXYDKINMLY-AWEZNQCLSA-N 1 0 396.329 2.947 20 0 GFADRO Cc1nc(CSc2ccc(C(=O)N3CCO[C@@H]([C@@H](C)[NH3+])C3)cc2)cs1 ZINC000646859451 565623004 /nfs/dbraw/zinc/62/30/04/565623004.db2.gz NYFHCMPGADNEPK-SJKOYZFVSA-N 1 0 377.535 2.932 20 0 GFADRO CCCN(C(=O)c1c2ccc(Br)cc2nn1C)C1CC[NH2+]CC1 ZINC000646863100 565623350 /nfs/dbraw/zinc/62/33/50/565623350.db2.gz MIAUVLUYWATZKK-UHFFFAOYSA-N 1 0 379.302 2.940 20 0 GFADRO CC[C@@H](C[NH+]1CCCC1)NS(=O)(=O)c1cc(Cl)c(OC)cc1OC ZINC000668150574 565629592 /nfs/dbraw/zinc/62/95/92/565629592.db2.gz YHYDQOMZMWYRQG-LBPRGKRZSA-N 1 0 376.906 2.510 20 0 GFADRO [NH3+]CCN(Cc1ccccc1)C(=O)[C@H]1COc2ccc(Br)cc21 ZINC000646969171 565629865 /nfs/dbraw/zinc/62/98/65/565629865.db2.gz DZNMTLBLKKWQIE-INIZCTEOSA-N 1 0 375.266 2.913 20 0 GFADRO Cn1nc2cc(Br)ccc2c1C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000646966914 565630387 /nfs/dbraw/zinc/63/03/87/565630387.db2.gz BRYBBAUNAOARTR-ZLKJLUDKSA-N 1 0 377.286 2.535 20 0 GFADRO O=C(N[C@@H]1CCC[NH2+]CC1)[C@@H](c1ccc(Cl)cc1Cl)N1CCOCC1 ZINC000646987677 565631179 /nfs/dbraw/zinc/63/11/79/565631179.db2.gz IXEQQLQWYVWQPF-RHSMWYFYSA-N 1 0 386.323 2.625 20 0 GFADRO Cc1c(C(=O)N2CCC(C)([NH3+])CC2)cnn1-c1ccc(Br)cc1 ZINC000646995154 565631376 /nfs/dbraw/zinc/63/13/76/565631376.db2.gz JOLHTPFYLITSLL-UHFFFAOYSA-N 1 0 377.286 2.897 20 0 GFADRO O=C(N[C@@H]1CCC[NH2+]CC1)[C@@H](c1ccc(Br)cc1)N1CCCC1 ZINC000646985661 565631421 /nfs/dbraw/zinc/63/14/21/565631421.db2.gz FQDLGZPQHZTMHF-IAGOWNOFSA-N 1 0 380.330 2.844 20 0 GFADRO CCCN(C(=O)C(=O)NCCc1cc(Cl)cc(Cl)c1)[C@@H]1CC[N@H+](C)C1 ZINC000647016185 565633592 /nfs/dbraw/zinc/63/35/92/565633592.db2.gz VJMYTMWNEINXCE-MRXNPFEDSA-N 1 0 386.323 2.595 20 0 GFADRO O=C(N[C@H]1CC12CC[NH2+]CC2)[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000647055789 565634177 /nfs/dbraw/zinc/63/41/77/565634177.db2.gz HBGNKMJYCBXBPF-DOMZBBRYSA-N 1 0 382.291 2.605 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)CCc2ccc(Br)cc2F)CC12CCOCC2 ZINC000647079020 565635558 /nfs/dbraw/zinc/63/55/58/565635558.db2.gz QVGCGBUCRHLXLF-AWEZNQCLSA-N 1 0 399.304 2.735 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)c2c[nH]c3ccc(Br)cc23)CC12CCOCC2 ZINC000647079223 565635594 /nfs/dbraw/zinc/63/55/94/565635594.db2.gz IFZCURUZNPVODC-GFCCVEGCSA-N 1 0 392.297 2.758 20 0 GFADRO O=C(Nc1ccc2c(c1)C[NH2+]C2)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000647076412 565635620 /nfs/dbraw/zinc/63/56/20/565635620.db2.gz KNFFEHYZTSNNAX-UHFFFAOYSA-N 1 0 376.865 2.888 20 0 GFADRO Cc1cccc(CC(=O)NC[C@H](C(C)C)[NH+]2CCN(C)CC2)c1Br ZINC000625544475 565638150 /nfs/dbraw/zinc/63/81/50/565638150.db2.gz WJTDQSWHEGUDTJ-QGZVFWFLSA-N 1 0 396.373 2.688 20 0 GFADRO O=C1C[C@H](c2nc([C@H]3CCC[NH2+]3)no2)CN1c1ccccc1Br ZINC000647152317 565641331 /nfs/dbraw/zinc/64/13/31/565641331.db2.gz AQOAKHROPGADJZ-CMPLNLGQSA-N 1 0 377.242 2.777 20 0 GFADRO CC(=O)N[C@H](Cc1nc([C@@H]2CCC[NH2+]2)no1)c1ccc(Br)cc1 ZINC000647155189 565641592 /nfs/dbraw/zinc/64/15/92/565641592.db2.gz TWRRSMAEVPLYBM-UONOGXRCSA-N 1 0 379.258 2.677 20 0 GFADRO CO[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+]Cc1ccc(S(N)(=O)=O)cc1F ZINC000647184725 565644123 /nfs/dbraw/zinc/64/41/23/565644123.db2.gz ZSBQOFMOHJTCHD-GTNSWQLSSA-N 1 0 386.876 2.992 20 0 GFADRO CC(C)Cn1nccc1C[NH2+]CCNC(=O)c1cccc(Br)c1 ZINC000647183467 565644944 /nfs/dbraw/zinc/64/49/44/565644944.db2.gz ZZCNZZNWTPJBOW-UHFFFAOYSA-N 1 0 379.302 2.821 20 0 GFADRO CC(C)[NH2+]CCCNS(=O)(=O)Cc1ccc(Br)cc1Cl ZINC000647211831 565645551 /nfs/dbraw/zinc/64/55/51/565645551.db2.gz DOMSVRYSZASITG-UHFFFAOYSA-N 1 0 383.739 2.910 20 0 GFADRO CCNC(=O)N1CC[C@@H]([NH2+]Cc2cc(OC(F)F)ccc2Br)C1 ZINC000647192416 565646442 /nfs/dbraw/zinc/64/64/42/565646442.db2.gz FLVOAMNCJAQFAQ-LLVKDONJSA-N 1 0 392.244 2.944 20 0 GFADRO COC[C@H](C[NH2+]Cc1ccc(S(N)(=O)=O)cc1F)c1ccc(Cl)cc1 ZINC000647214893 565647322 /nfs/dbraw/zinc/64/73/22/565647322.db2.gz WSOLPYBVQXKJBN-AWEZNQCLSA-N 1 0 386.876 2.646 20 0 GFADRO CCS(=O)(=O)CCC[NH2+]Cc1cc(OC(F)F)ccc1Br ZINC000647218354 565647538 /nfs/dbraw/zinc/64/75/38/565647538.db2.gz IJXPMYZQAPXFTR-UHFFFAOYSA-N 1 0 386.258 2.965 20 0 GFADRO COc1cc(OC)c(S(=O)(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc1Cl ZINC000647238303 565648370 /nfs/dbraw/zinc/64/83/70/565648370.db2.gz JQELNTYZMMEJCT-JSGCOSHPSA-N 1 0 388.917 2.510 20 0 GFADRO COCCOc1c(Cl)cc(S(=O)(=O)N[C@@H]2CCC[C@H]([NH3+])C2)cc1Cl ZINC000647259728 565649345 /nfs/dbraw/zinc/64/93/45/565649345.db2.gz SDBJOPFXNPGLRN-WDEREUQCSA-N 1 0 397.324 2.567 20 0 GFADRO O=S(=O)(c1cc(Br)sc1Cl)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000647264349 565650553 /nfs/dbraw/zinc/65/05/53/565650553.db2.gz YYFQMKUNPLLSJR-HTQZYQBOSA-N 1 0 385.736 2.537 20 0 GFADRO CC[C@@H]1CN(S(=O)(=O)c2cc(Br)c(F)cc2C)CC[C@@H]1[NH3+] ZINC000647269382 565651488 /nfs/dbraw/zinc/65/14/88/565651488.db2.gz RLYKJSWLDJYZFW-MFKMUULPSA-N 1 0 379.295 2.645 20 0 GFADRO CC[C@@H]1CN(S(=O)(=O)c2cc(Cl)c(Br)cc2F)CC[C@@H]1[NH3+] ZINC000647268843 565651627 /nfs/dbraw/zinc/65/16/27/565651627.db2.gz ITOFOQDPGWHCLU-PELKAZGASA-N 1 0 399.713 2.990 20 0 GFADRO CC[C@H]1CN(S(=O)(=O)c2cc(Cl)ccc2OCCCOC)CC[C@@H]1[NH3+] ZINC000647268448 565652103 /nfs/dbraw/zinc/65/21/03/565652103.db2.gz CGBHGPCIDPKQHQ-ZFWWWQNUSA-N 1 0 390.933 2.503 20 0 GFADRO O=S(=O)(N[C@H]1CCC[NH2+]CC1)c1cc(Cl)c(Br)cc1F ZINC000647285510 565653808 /nfs/dbraw/zinc/65/38/08/565653808.db2.gz GIMRWJMNUJBRIT-QMMMGPOBSA-N 1 0 385.686 2.662 20 0 GFADRO O=C1CC[C@H]2C[N@H+](CC3=Cc4cc(Br)ccc4OC3)CC[C@H]2N1 ZINC000668540830 565654388 /nfs/dbraw/zinc/65/43/88/565654388.db2.gz HGLVBXOYMYVRGU-XJKSGUPXSA-N 1 0 377.282 2.825 20 0 GFADRO C[C@@H]1[C@H](C)[NH2+]CCN1S(=O)(=O)Cc1ccc(Br)cc1Cl ZINC000647287097 565654517 /nfs/dbraw/zinc/65/45/17/565654517.db2.gz KPYHBBTXTLNEJO-VHSXEESVSA-N 1 0 381.723 2.615 20 0 GFADRO O=S(=O)(c1cccc(OC(F)(F)F)c1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000647299708 565655173 /nfs/dbraw/zinc/65/51/73/565655173.db2.gz AXQFFQAWTDJYES-CYBMUJFWSA-N 1 0 378.416 2.595 20 0 GFADRO CC(C)C[N@H+](Cc1ccc(F)c(Cl)c1)CC1(O)CCS(=O)(=O)CC1 ZINC000625719504 565656019 /nfs/dbraw/zinc/65/60/19/565656019.db2.gz RQUORBQUPFVKPS-UHFFFAOYSA-N 1 0 377.909 2.877 20 0 GFADRO [NH3+]C[C@@H]1CN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)CC12CCOCC2 ZINC000647322687 565658105 /nfs/dbraw/zinc/65/81/05/565658105.db2.gz HNGFATQUDDTZPL-CYBMUJFWSA-N 1 0 393.336 2.511 20 0 GFADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1CN1CC[C@@H](C)O[C@@H](C)C1 ZINC000668626169 565658355 /nfs/dbraw/zinc/65/83/55/565658355.db2.gz SOZQIZYDGOORDO-HZSPNIEDSA-N 1 0 399.329 2.962 20 0 GFADRO C[C@@H]1CCCCN1C(=O)C[NH2+][C@@]1(CO)CCc2cc(Br)ccc2C1 ZINC000625794892 565659838 /nfs/dbraw/zinc/65/98/38/565659838.db2.gz OYKZPVGOEXFMPW-KUHUBIRLSA-N 1 0 395.341 2.660 20 0 GFADRO CC(C)Cn1ncnc1C[NH2+][C@]1(CO)CCc2cc(Br)ccc2C1 ZINC000625797675 565660563 /nfs/dbraw/zinc/66/05/63/565660563.db2.gz XXWPHAZGNAKNME-GOSISDBHSA-N 1 0 393.329 2.706 20 0 GFADRO Cn1cncc1CCC[NH2+][C@]1(CO)CCc2cc(Br)ccc2C1 ZINC000625797141 565660614 /nfs/dbraw/zinc/66/06/14/565660614.db2.gz QQCZZJNYBNSMGM-GOSISDBHSA-N 1 0 378.314 2.625 20 0 GFADRO Cc1cncc(CC[NH2+][C@]2(CO)CCc3cc(Br)ccc3C2)n1 ZINC000625796357 565660765 /nfs/dbraw/zinc/66/07/65/565660765.db2.gz JYSLJYZOAHCARC-GOSISDBHSA-N 1 0 376.298 2.600 20 0 GFADRO CC[C@H]1CN(Cc2ccc(Br)cc2N2CCOCC2)CC[C@H]1[NH3+] ZINC000647497373 565661737 /nfs/dbraw/zinc/66/17/37/565661737.db2.gz FETHAAYKHYUAKC-WMLDXEAASA-N 1 0 382.346 2.845 20 0 GFADRO Cc1cc(Br)cc(C(=O)NCCCN2CCC[N@@H+](C)CC2)c1C ZINC000668697594 565661876 /nfs/dbraw/zinc/66/18/76/565661876.db2.gz IFQHJLBQGXULEI-UHFFFAOYSA-N 1 0 382.346 2.823 20 0 GFADRO C[C@H](NC(=O)[C@@H]1CCO[C@H]1c1cncc(Br)c1)C1CC[NH+](C)CC1 ZINC000668700286 565662304 /nfs/dbraw/zinc/66/23/04/565662304.db2.gz JVSSLUOCGHLOAM-VUCTXSBTSA-N 1 0 396.329 2.768 20 0 GFADRO O[C@H](C[NH2+]C[C@@H]1CC[C@@H](O)C1)COc1ccc(Cl)cc1Br ZINC000647528842 565662452 /nfs/dbraw/zinc/66/24/52/565662452.db2.gz JYMUWTBFPDYARP-RAIGVLPGSA-N 1 0 378.694 2.593 20 0 GFADRO OC[C@H](C[NH2+]C[C@H](O)COc1ccc(Cl)c(Cl)c1)Cc1cccnc1 ZINC000647535122 565663904 /nfs/dbraw/zinc/66/39/04/565663904.db2.gz LXBNVHNWYXBMKV-GJZGRUSLSA-N 1 0 385.291 2.569 20 0 GFADRO O[C@H]1CC[N@@H+](C2CCN(CC3=Cc4cc(Br)ccc4OC3)CC2)C1 ZINC000668741598 565664555 /nfs/dbraw/zinc/66/45/55/565664555.db2.gz VNMKWYXUUKQZEK-SFHVURJKSA-N 1 0 393.325 2.756 20 0 GFADRO COC1CC[NH+](CCNC(=O)[C@H]2[C@@H]3c4cccc(Br)c4C[C@H]23)CC1 ZINC000626023607 565670648 /nfs/dbraw/zinc/67/06/48/565670648.db2.gz MDMGSXXHSINSMU-CGTJXYLNSA-N 1 0 393.325 2.562 20 0 GFADRO O=C(c1cc(Cl)cc(F)c1Br)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000647707664 565671885 /nfs/dbraw/zinc/67/18/85/565671885.db2.gz BIKYDGINOOHQRT-MNOVXSKESA-N 1 0 391.668 2.523 20 0 GFADRO CCOC(=O)[C@H](C)[C@@H](C)[NH2+][C@@H]1CCc2cc(Br)ccc2NC1=O ZINC000599361826 565672634 /nfs/dbraw/zinc/67/26/34/565672634.db2.gz DZZXLEXGKQARKJ-UEKVPHQBSA-N 1 0 383.286 2.880 20 0 GFADRO C[N@@H+]1CCC[C@H]1[C@@H]1COCCN1C(=O)c1[nH]c2ccccc2c1Br ZINC000647821065 565678705 /nfs/dbraw/zinc/67/87/05/565678705.db2.gz BRICSOIUINXZKQ-GJZGRUSLSA-N 1 0 392.297 2.866 20 0 GFADRO C[C@H](C(=O)Nc1ccc(Br)cc1Br)N(C)CCC[NH3+] ZINC000647848959 565679443 /nfs/dbraw/zinc/67/94/43/565679443.db2.gz BJIZFJXBPNNSQA-SECBINFHSA-N 1 0 393.123 2.819 20 0 GFADRO Cn1cc(CC[N@@H+]2CC[C@H](Cc3cccc(I)c3)C2)nn1 ZINC000599432643 565679842 /nfs/dbraw/zinc/67/98/42/565679842.db2.gz XVQMDLVHZKTPJS-CQSZACIVSA-N 1 0 396.276 2.527 20 0 GFADRO CN(CCC[NH3+])CC(=O)Nc1ccc(Oc2ccc(Br)cc2)nc1 ZINC000647847559 565679987 /nfs/dbraw/zinc/67/99/87/565679987.db2.gz UPZSGXJYAXSPCP-UHFFFAOYSA-N 1 0 393.285 2.856 20 0 GFADRO O=C(NCCCC[N@H+]1CCC[C@@H]1CO)c1ccc(Br)c(F)c1F ZINC000626201860 565682323 /nfs/dbraw/zinc/68/23/23/565682323.db2.gz ZXJIYEGPPUIBAP-LLVKDONJSA-N 1 0 391.256 2.694 20 0 GFADRO NC(=O)[C@H](c1ccc(Br)cc1F)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647903741 565683492 /nfs/dbraw/zinc/68/34/92/565683492.db2.gz OYFZZJDUDLFTPF-UVBJJODRSA-N 1 0 384.293 2.579 20 0 GFADRO COc1cc(C(=O)N2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)ccc1Br ZINC000626227505 565684585 /nfs/dbraw/zinc/68/45/85/565684585.db2.gz VPHHRGZHVWIAOB-YSVLISHTSA-N 1 0 397.313 2.781 20 0 GFADRO O=C(CCN1CC[NH2+]C[C@@H]1c1cccnc1)Nc1ccccc1Br ZINC000647952946 565685139 /nfs/dbraw/zinc/68/51/39/565685139.db2.gz HNKIQKMDMVBTLJ-QGZVFWFLSA-N 1 0 389.297 2.819 20 0 GFADRO C[NH2+]C[C@H]1CCCN1C(=O)NCCNc1ncc(C(F)(F)F)cc1Cl ZINC000669386300 565687037 /nfs/dbraw/zinc/68/70/37/565687037.db2.gz ALVCRCKWWMMFTE-LLVKDONJSA-N 1 0 379.814 2.559 20 0 GFADRO CCOC(=O)CCCC[NH2+][C@]1(CO)CCc2cc(Br)ccc2C1 ZINC000599572652 565688980 /nfs/dbraw/zinc/68/89/80/565688980.db2.gz DMEHMKAFCIDMTM-GOSISDBHSA-N 1 0 384.314 2.992 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CN(C(=O)NCc2cc(Cl)cc(Cl)c2OC(F)F)CCO1 ZINC000669526780 565691403 /nfs/dbraw/zinc/69/14/03/565691403.db2.gz NSMFNGHRZCOZGY-UFBFGSQYSA-N 1 0 398.237 2.852 20 0 GFADRO CC[C@H]1CN(C(=O)CCNC(=O)Nc2ccc(Br)cc2)CC[C@H]1[NH3+] ZINC000648124769 565691341 /nfs/dbraw/zinc/69/13/41/565691341.db2.gz BZBJMTTVRDSPRH-SWLSCSKDSA-N 1 0 397.317 2.547 20 0 GFADRO O=C(NCc1nc(-c2cccc(Br)c2)no1)[C@H]1CCCCC[NH2+]1 ZINC000648174429 565691949 /nfs/dbraw/zinc/69/19/49/565691949.db2.gz SEXXEKFGTSHWAL-CYBMUJFWSA-N 1 0 379.258 2.648 20 0 GFADRO CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000669551724 565692396 /nfs/dbraw/zinc/69/23/96/565692396.db2.gz GSUPTKDMFZRNEZ-RCBQFDQVSA-N 1 0 384.318 2.966 20 0 GFADRO COC(=O)c1c(C)csc1NC(=O)N1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000599604109 565692456 /nfs/dbraw/zinc/69/24/56/565692456.db2.gz LLSYXIDHYMDCIJ-UWVGGRQHSA-N 1 0 379.404 2.834 20 0 GFADRO CCCOC[C@H](Cc1cccc(Br)c1)NC(=O)NC/C=C/C[NH3+] ZINC000669563503 565693093 /nfs/dbraw/zinc/69/30/93/565693093.db2.gz RMHTVADTVOCNMH-CWDCEQMOSA-N 1 0 384.318 2.601 20 0 GFADRO O=C(NCc1cc2cc(Br)ccc2[nH]1)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000669562096 565693630 /nfs/dbraw/zinc/69/36/30/565693630.db2.gz ANLMLWQQSOYWFE-ZBEGNZNMSA-N 1 0 377.286 2.824 20 0 GFADRO CC1([NH3+])CCN(C(=O)N[C@@H]2CCN(c3cccc(Br)c3)C2)CC1 ZINC000669572031 565693731 /nfs/dbraw/zinc/69/37/31/565693731.db2.gz SWTJVKDHXJEQRC-CQSZACIVSA-N 1 0 381.318 2.551 20 0 GFADRO O=C(Cc1cc2c(cc1Br)OCCO2)N[C@@H]1CC[NH2+]C12CCCC2 ZINC000648210010 565693835 /nfs/dbraw/zinc/69/38/35/565693835.db2.gz HRPYGWHGGHEFHV-MRXNPFEDSA-N 1 0 395.297 2.554 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CN(C(=O)NCc2cnc(-c3ccc(Cl)cc3)s2)CCO1 ZINC000669583083 565694341 /nfs/dbraw/zinc/69/43/41/565694341.db2.gz LEVZJQYJYKPKFR-IAQYHMDHSA-N 1 0 380.901 2.721 20 0 GFADRO C[C@H]([NH3+])CNC(=O)NC[C@H](c1ccc(Cl)cc1)N(C)CCC(F)(F)F ZINC000669582578 565694382 /nfs/dbraw/zinc/69/43/82/565694382.db2.gz AIHYAYGKIZVJFQ-SMDDNHRTSA-N 1 0 380.842 2.912 20 0 GFADRO O=C(NCCc1c[nH]c2cccc(Br)c12)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000669588503 565694673 /nfs/dbraw/zinc/69/46/73/565694673.db2.gz RBFSYVHWFCAAON-UKRRQHHQSA-N 1 0 391.313 2.866 20 0 GFADRO Cn1nc2cc(Br)ccc2c1C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000648244631 565696792 /nfs/dbraw/zinc/69/67/92/565696792.db2.gz SEEDKOKRULDJFU-DZGCQCFKSA-N 1 0 377.286 2.692 20 0 GFADRO CCC1([NH+]2CCOCC2)CCN(C(=O)Nc2cc(Br)ccn2)CC1 ZINC000626538096 565698021 /nfs/dbraw/zinc/69/80/21/565698021.db2.gz SFGWYWQUSRDQKK-UHFFFAOYSA-N 1 0 397.317 2.953 20 0 GFADRO COCC[N@@H+]1CCC[C@@H](NC(=O)CCc2cccc(F)c2Br)C1 ZINC000648280238 565699335 /nfs/dbraw/zinc/69/93/35/565699335.db2.gz DDFCHGAEHGLTLU-CQSZACIVSA-N 1 0 387.293 2.748 20 0 GFADRO CC(=O)NCCN(Cc1ccc(Cl)cc1Cl)C(=O)NCCC[NH+](C)C ZINC000669757879 565701150 /nfs/dbraw/zinc/70/11/50/565701150.db2.gz HFWZGPHSNIMASQ-UHFFFAOYSA-N 1 0 389.327 2.593 20 0 GFADRO C[C@@H](CC(=O)N(CC[NH+](C)C)Cc1ccco1)n1cc(Br)cn1 ZINC000648319966 565702465 /nfs/dbraw/zinc/70/24/65/565702465.db2.gz JLOHSLGJRPQWAW-ZDUSSCGKSA-N 1 0 383.290 2.780 20 0 GFADRO CN(CC(C)(C)C[NH3+])C(=O)C(=O)Nc1cc(Cl)c(Br)cc1F ZINC000626833702 565712290 /nfs/dbraw/zinc/71/22/90/565712290.db2.gz UIDSNDDBTUGWKT-UHFFFAOYSA-N 1 0 394.672 2.623 20 0 GFADRO C[C@H]1CC[C@H](NC(=O)C(=O)Nc2ccccc2SCC(F)(F)F)C[NH2+]1 ZINC000626887203 565714190 /nfs/dbraw/zinc/71/41/90/565714190.db2.gz RKRLVFANRXWWOL-QWRGUYRKSA-N 1 0 375.416 2.536 20 0 GFADRO C[C@H]1CC[C@H](NC(=O)C(=O)Nc2cccc(Cl)c2SCC(F)F)C[NH2+]1 ZINC000626891271 565714418 /nfs/dbraw/zinc/71/44/18/565714418.db2.gz ZJOQVRIZHBAVPD-UWVGGRQHSA-N 1 0 391.871 2.892 20 0 GFADRO Cc1cc(Cl)cc(NC(=O)C(=O)N[C@H]2CC[C@H](C)[NH2+]C2)c1Br ZINC000626891992 565714429 /nfs/dbraw/zinc/71/44/29/565714429.db2.gz DTTGLBXJKQYPBT-ONGXEEELSA-N 1 0 388.693 2.606 20 0 GFADRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)Nc1ccc(-c2ccc(Cl)s2)nc1 ZINC000626864154 565714488 /nfs/dbraw/zinc/71/44/88/565714488.db2.gz YGXAOLOEEASQPZ-NWDGAFQWSA-N 1 0 378.885 2.659 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000626959259 565717089 /nfs/dbraw/zinc/71/70/89/565717089.db2.gz AMRKSGVCWXEKHS-TZMCWYRMSA-N 1 0 397.317 2.526 20 0 GFADRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NCc1cc(Br)ccc1OC(F)F ZINC000626961544 565717182 /nfs/dbraw/zinc/71/71/82/565717182.db2.gz GEFUOMUNNJDLDF-NWDGAFQWSA-N 1 0 392.244 2.990 20 0 GFADRO CC[C@H]1C[C@@H]([NH2+]CCNS(=O)(=O)c2cccc(Cl)c2Cl)CCO1 ZINC000648581103 565718108 /nfs/dbraw/zinc/71/81/08/565718108.db2.gz ROGJUJOFHIXNJP-RYUDHWBXSA-N 1 0 381.325 2.819 20 0 GFADRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000627009605 565719262 /nfs/dbraw/zinc/71/92/62/565719262.db2.gz IEXKTZMDURQVIY-RRFJBIMHSA-N 1 0 385.295 2.538 20 0 GFADRO CC[C@H](CCc1ccc(Br)cc1)[NH2+]C1CC(NS(C)(=O)=O)C1 ZINC000670271341 565719445 /nfs/dbraw/zinc/71/94/45/565719445.db2.gz JHPMUHSYOCHTAA-QQFBHYJXSA-N 1 0 389.359 2.830 20 0 GFADRO C[C@H]1CC[C@H](NC(=O)NCc2cnn(-c3ccc(Br)cc3)c2)C[NH2+]1 ZINC000627020442 565719676 /nfs/dbraw/zinc/71/96/76/565719676.db2.gz GMBSCSQVOIVRIV-WFASDCNBSA-N 1 0 392.301 2.575 20 0 GFADRO CC[C@@H](NC(=O)NC1(C[NH3+])CCOCC1)c1cc(F)cc(Br)c1 ZINC000627016612 565719869 /nfs/dbraw/zinc/71/98/69/565719869.db2.gz QLHRQYVIMNBGRA-CQSZACIVSA-N 1 0 388.281 2.846 20 0 GFADRO O=c1ccc(Br)cn1CC[NH2+]Cc1ncccc1C(F)(F)F ZINC000648634550 565721081 /nfs/dbraw/zinc/72/10/81/565721081.db2.gz WPXZKXUTFGHWKO-UHFFFAOYSA-N 1 0 376.176 2.814 20 0 GFADRO CC[C@H](Cc1ccc(Br)cc1)NC(=O)NC1(C[NH3+])CCOCC1 ZINC000627117384 565721438 /nfs/dbraw/zinc/72/14/38/565721438.db2.gz HHIMSWKLELMSEP-OAHLLOKOSA-N 1 0 384.318 2.577 20 0 GFADRO CN(CCOCC[NH3+])C(=O)N[C@@H]1CCCCc2cc(Br)ccc21 ZINC000627117938 565722188 /nfs/dbraw/zinc/72/21/88/565722188.db2.gz MILMNCCPZJRQCN-MRXNPFEDSA-N 1 0 384.318 2.833 20 0 GFADRO COc1ncc(Br)cc1CNC(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000627157425 565723677 /nfs/dbraw/zinc/72/36/77/565723677.db2.gz UXZPKILYSBBVIW-OAHLLOKOSA-N 1 0 397.317 2.526 20 0 GFADRO O=C(c1ccc(Br)c(F)c1)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000670444076 565724435 /nfs/dbraw/zinc/72/44/35/565724435.db2.gz CDGHVCFIKCCSAZ-CQSZACIVSA-N 1 0 385.277 2.915 20 0 GFADRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000627169047 565724842 /nfs/dbraw/zinc/72/48/42/565724842.db2.gz MYDBSWZLCPAWMT-XHSDSOJGSA-N 1 0 382.302 2.673 20 0 GFADRO C[C@@H]1CCN(C(=O)NCc2ccc(Br)c(F)c2F)[C@H](C[NH3+])C1 ZINC000627181668 565725313 /nfs/dbraw/zinc/72/53/13/565725313.db2.gz VMZASUDISHWUFH-KOLCDFICSA-N 1 0 376.245 2.996 20 0 GFADRO C[C@H](NC(=O)c1c2ccc(Br)cc2nn1C)C1CC[NH+](C)CC1 ZINC000648783058 565727897 /nfs/dbraw/zinc/72/78/97/565727897.db2.gz NXXMIJQICZWUPO-NSHDSACASA-N 1 0 379.302 2.796 20 0 GFADRO Cc1cc(Br)cc2c(C(=O)N3CC[C@H]([N@@H+]4CC[C@@H](O)C4)C3)coc21 ZINC000627261576 565727895 /nfs/dbraw/zinc/72/78/95/565727895.db2.gz ACIQTVVVZLCMRC-UONOGXRCSA-N 1 0 393.281 2.785 20 0 GFADRO Cn1nc2cc(Br)ccc2c1C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000648776450 565728057 /nfs/dbraw/zinc/72/80/57/565728057.db2.gz AOGIRKPIRHSYBG-ZDUSSCGKSA-N 1 0 377.286 2.550 20 0 GFADRO C[C@H](CC(=O)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1)c1ccc(Br)cc1 ZINC000627261205 565728969 /nfs/dbraw/zinc/72/89/69/565728969.db2.gz VULMFDVCXSIPHV-KBRIMQKVSA-N 1 0 381.314 2.610 20 0 GFADRO O=C(c1cc(Br)c2ccccc2c1)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000627266775 565730486 /nfs/dbraw/zinc/73/04/86/565730486.db2.gz FTPHLNQSUFPLRW-CVEARBPZSA-N 1 0 389.293 2.883 20 0 GFADRO O=C(c1cc(Cl)c(F)cc1Br)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000627269166 565730769 /nfs/dbraw/zinc/73/07/69/565730769.db2.gz OFONKJURKICGSB-VHSXEESVSA-N 1 0 391.668 2.523 20 0 GFADRO O=C(c1cccc2cccc(Br)c21)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000627268010 565730875 /nfs/dbraw/zinc/73/08/75/565730875.db2.gz VXNATTLOMGPIDE-GJZGRUSLSA-N 1 0 389.293 2.883 20 0 GFADRO O=C(c1ccc(OC(F)(F)F)c(Cl)c1)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000627272321 565732002 /nfs/dbraw/zinc/73/20/02/565732002.db2.gz MDTWDXCFDSPHLA-RYUDHWBXSA-N 1 0 378.778 2.520 20 0 GFADRO O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)[C@@H]1CCc2cc(Br)ccc21 ZINC000648825130 565732778 /nfs/dbraw/zinc/73/27/78/565732778.db2.gz XIQOSZIADTZZAI-SJLPKXTDSA-N 1 0 393.325 2.848 20 0 GFADRO C[C@H]1CC[C@@H](NC(=O)C(=O)NCC(C)(C)c2ccc(Cl)c(Cl)c2)C[NH2+]1 ZINC000627353275 565733956 /nfs/dbraw/zinc/73/39/56/565733956.db2.gz XQKNSSVCJVQUGH-WCQYABFASA-N 1 0 386.323 2.644 20 0 GFADRO C[C@@H](CC(=O)N1CC[N@@H+](C2CCC2)C[C@H](C)C1)n1cc(Br)cn1 ZINC000648911937 565738467 /nfs/dbraw/zinc/73/84/67/565738467.db2.gz WUXOCROUOIDHIX-KBPBESRZSA-N 1 0 383.334 2.930 20 0 GFADRO C[NH+](C)[C@@H]1[C@H]2CN(C(=O)[C@@H](c3ccc(Br)cc3)N3CCCC3)C[C@H]21 ZINC000627651788 565745242 /nfs/dbraw/zinc/74/52/42/565745242.db2.gz DFDCDFRRULKZCB-XDNAFOTISA-N 1 0 392.341 2.604 20 0 GFADRO C[NH+](C)[C@@H]1[C@H]2CN(C(=O)CCOc3ccc(Cl)cc3Br)C[C@H]21 ZINC000627649026 565745336 /nfs/dbraw/zinc/74/53/36/565745336.db2.gz FVMOWFOMUJFOBR-ATCWAGBWSA-N 1 0 387.705 2.890 20 0 GFADRO C[C@H](NC(=O)CN(C)[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(Br)cc1 ZINC000600726084 565747418 /nfs/dbraw/zinc/74/74/18/565747418.db2.gz FBAVSEZULNOTCE-SUMWQHHRSA-N 1 0 380.330 2.795 20 0 GFADRO CC[NH+](CC)[C@H](CNC(=O)C(=O)NC[C@@]1(C)CCCS1)c1ccsc1 ZINC000670969741 565748456 /nfs/dbraw/zinc/74/84/56/565748456.db2.gz BSMSJNJRYRPDEE-CRAIPNDOSA-N 1 0 383.583 2.649 20 0 GFADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]CCOc1ccc(F)c(F)c1 ZINC000671117689 565753077 /nfs/dbraw/zinc/75/30/77/565753077.db2.gz MXCYKFRLXJVMCN-LLVKDONJSA-N 1 0 387.224 2.946 20 0 GFADRO O[C@@H]1CCC[C@H]1[NH+]1CCN(c2ncc(Br)cc2C(F)(F)F)CC1 ZINC000649267931 565757127 /nfs/dbraw/zinc/75/71/27/565757127.db2.gz KXTJTOQBZOYLKU-CHWSQXEVSA-N 1 0 394.235 2.898 20 0 GFADRO Cc1nc(CSc2ccccc2C(=O)N2CCO[C@H]([C@H](C)[NH3+])C2)cs1 ZINC000649274646 565757499 /nfs/dbraw/zinc/75/74/99/565757499.db2.gz SQOXHUWJDYOHGR-LRDDRELGSA-N 1 0 377.535 2.932 20 0 GFADRO O=C(NC[C@@H]1CC[N@@H+]1C1CCCC1)C(=O)Nc1cccc(Br)c1 ZINC000627905835 565761773 /nfs/dbraw/zinc/76/17/73/565761773.db2.gz ZSWMHYBSXRCKEW-HNNXBMFYSA-N 1 0 380.286 2.521 20 0 GFADRO C[NH+](C)CC1CN(c2ncc(C(F)(F)F)cc2I)C1 ZINC000601170214 565769546 /nfs/dbraw/zinc/76/95/46/565769546.db2.gz MSYJEWBVQSIOLX-UHFFFAOYSA-N 1 0 385.171 2.703 20 0 GFADRO C[NH+]1CCN(C(C)(C)CNC(=O)Nc2cc(Br)ccc2F)CC1 ZINC000601188444 565771176 /nfs/dbraw/zinc/77/11/76/565771176.db2.gz ZNZBMGLYNPPOBZ-UHFFFAOYSA-N 1 0 387.297 2.736 20 0 GFADRO O=C([C@@H]1C[C@H]1c1cccc(Br)c1)N1CCC([NH+]2CCOCC2)CC1 ZINC000628121894 565775190 /nfs/dbraw/zinc/77/51/90/565775190.db2.gz AJUSHESQIXZBDQ-ZWKOTPCHSA-N 1 0 393.325 2.876 20 0 GFADRO O=C(N1CCC([NH+]2CCOCC2)CC1)C1(c2ccc(Br)cc2)CC1 ZINC000628127760 565776345 /nfs/dbraw/zinc/77/63/45/565776345.db2.gz YRZBBYBDDUNSLR-UHFFFAOYSA-N 1 0 393.325 2.804 20 0 GFADRO COc1nc(N2CC[NH+](C[C@@]3(C)CCCS3)CC2)ncc1Br ZINC000628163929 565777945 /nfs/dbraw/zinc/77/79/45/565777945.db2.gz XWSJOUUPGBTEEG-OAHLLOKOSA-N 1 0 387.347 2.655 20 0 GFADRO C[C@H](CO)C1CC[NH+](CC(=O)N(C)Cc2ccccc2Br)CC1 ZINC000649806391 565779722 /nfs/dbraw/zinc/77/97/22/565779722.db2.gz UIBKFNJXBRJWCN-CQSZACIVSA-N 1 0 383.330 2.748 20 0 GFADRO COCC[N@@H+]1CCN(C[C@@H](O)COc2c(Cl)cccc2Cl)C(C)(C)C1 ZINC000649848086 565781134 /nfs/dbraw/zinc/78/11/34/565781134.db2.gz CBQUIUKIXNOXRF-CQSZACIVSA-N 1 0 391.339 2.776 20 0 GFADRO CN(C(=O)c1cscc1Br)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000671720653 565783416 /nfs/dbraw/zinc/78/34/16/565783416.db2.gz SYWPTTWJXXOWHU-ZDUSSCGKSA-N 1 0 386.359 2.751 20 0 GFADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)CCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000671727790 565784012 /nfs/dbraw/zinc/78/40/12/565784012.db2.gz ONGSBXUPNPSQJM-INIZCTEOSA-N 1 0 386.945 2.885 20 0 GFADRO CN(CC[NH+]1CCCCC1)CC(=O)N(C)Cc1cc(Br)cs1 ZINC000649888227 565784750 /nfs/dbraw/zinc/78/47/50/565784750.db2.gz JFTGLWJRTJXPFK-UHFFFAOYSA-N 1 0 388.375 2.887 20 0 GFADRO CCC1([NH+](C)C)CCN(S(=O)(=O)c2ccc(C(=O)OC)c(Cl)c2)CC1 ZINC000601503948 565788320 /nfs/dbraw/zinc/78/83/20/565788320.db2.gz UWOXGQJWXVCZGZ-UHFFFAOYSA-N 1 0 388.917 2.622 20 0 GFADRO C[C@H](O)C[N@@H+]1CCN(c2ccc(-c3ccc(Br)s3)nn2)[C@@H](C)C1 ZINC000672254024 565800590 /nfs/dbraw/zinc/80/05/90/565800590.db2.gz SVYOKHJEHIZNFF-RYUDHWBXSA-N 1 0 397.342 2.859 20 0 GFADRO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000672309518 565802183 /nfs/dbraw/zinc/80/21/83/565802183.db2.gz VPAQRBCBZSEJBW-INIZCTEOSA-N 1 0 384.307 2.552 20 0 GFADRO [NH3+]CCC1CCN(c2ncnc3cc(I)sc32)CC1 ZINC000601985390 565812776 /nfs/dbraw/zinc/81/27/76/565812776.db2.gz VLLYIOONMNDYGV-UHFFFAOYSA-N 1 0 388.278 2.861 20 0 GFADRO CN(C)S(=O)(=O)N1CCC[C@@H]([NH2+][C@@H]2CCc3cc(Cl)cc(Cl)c32)C1 ZINC000672616464 565813268 /nfs/dbraw/zinc/81/32/68/565813268.db2.gz CFFVWNFSDCBBGV-UKRRQHHQSA-N 1 0 392.352 2.841 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)c2cnc3ncc(Br)cc3c2)C[N@@H+]1C1CC1 ZINC000672850100 565818933 /nfs/dbraw/zinc/81/89/33/565818933.db2.gz VQKKPZKFAXKQAV-YGRLFVJLSA-N 1 0 375.270 2.747 20 0 GFADRO O=C(NCCc1ccc(I)s1)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC000602089812 565822428 /nfs/dbraw/zinc/82/24/28/565822428.db2.gz KCVBRXKEAWTJKI-NXEZZACHSA-N 1 0 387.246 2.538 20 0 GFADRO O=S(=O)(c1ccc(Cl)c(F)c1)N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000650470237 565823631 /nfs/dbraw/zinc/82/36/31/565823631.db2.gz BKSDBWUEAIUPKE-AWEZNQCLSA-N 1 0 390.908 2.745 20 0 GFADRO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)c2ccc3[nH]cc(I)c3c2)C1 ZINC000602157757 565826506 /nfs/dbraw/zinc/82/65/06/565826506.db2.gz CPDAMWNUQXOLCQ-NHYWBVRUSA-N 1 0 395.244 2.549 20 0 GFADRO Cc1nc(-c2cccs2)c(CC(=O)NC[C@@H]2CCCC[N@@H+]2CCO)s1 ZINC000650982985 565842001 /nfs/dbraw/zinc/84/20/01/565842001.db2.gz WWORMEBITINOSC-AWEZNQCLSA-N 1 0 379.551 2.686 20 0 GFADRO COc1ccc(Br)c2[nH]c(C(=O)N3C[C@@H]4CC[N@H+](C)[C@@H]4C3)cc21 ZINC000651105891 565845214 /nfs/dbraw/zinc/84/52/14/565845214.db2.gz APXPSIOBUMUNTF-IINYFYTJSA-N 1 0 378.270 2.715 20 0 GFADRO Cc1cc(Br)c(F)cc1S(=O)(=O)N(CC[NH+](C)C)C1CC1 ZINC000629350809 565846983 /nfs/dbraw/zinc/84/69/83/565846983.db2.gz FXQFDDXFPNVKJA-UHFFFAOYSA-N 1 0 379.295 2.611 20 0 GFADRO C[NH2+]C[C@@H]1CCN(C(=O)c2cc(C)c(Cl)cc2I)C1 ZINC000602429258 565847335 /nfs/dbraw/zinc/84/73/35/565847335.db2.gz NYBPYJBFSJGXLV-JTQLQIEISA-N 1 0 392.668 2.935 20 0 GFADRO Cc1ccc(C(=O)N(C)[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)cc1Br ZINC000673798998 565847270 /nfs/dbraw/zinc/84/72/70/565847270.db2.gz ZZJWJPXOTGQRGN-KRWDZBQOSA-N 1 0 394.357 2.998 20 0 GFADRO C[S@@](=O)C1(C(=O)Nc2ncc(Cc3ccccc3Cl)s2)CC[NH2+]CC1 ZINC000602440783 565848402 /nfs/dbraw/zinc/84/84/02/565848402.db2.gz KJXJBOFBGAVJLC-RUZDIDTESA-N 1 0 397.953 2.827 20 0 GFADRO CNC(=O)CC1CC[NH+](C[C@@H](O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000673856363 565850269 /nfs/dbraw/zinc/85/02/69/565850269.db2.gz PVHZZVUJZIONCQ-CYBMUJFWSA-N 1 0 375.296 2.581 20 0 GFADRO C[C@@H]([NH2+]Cc1ccc(S(N)(=O)=O)c(Cl)c1)c1ccc([S@](C)=O)cc1 ZINC000602576032 565855261 /nfs/dbraw/zinc/85/52/61/565855261.db2.gz IQZOXDRYGKPNSW-BGJPBQGDSA-N 1 0 386.926 2.576 20 0 GFADRO C[C@H](C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1)[NH+]1C2CCC1CC2 ZINC000674006100 565855726 /nfs/dbraw/zinc/85/57/26/565855726.db2.gz LQUFGOONILVWAZ-LMWSTFAQSA-N 1 0 385.917 2.544 20 0 GFADRO Brc1cc2ncnc(N3CC[C@@H](C[NH+]4CCOCC4)C3)c2s1 ZINC000651322295 565856482 /nfs/dbraw/zinc/85/64/82/565856482.db2.gz LQTINIOEVJWVMV-NSHDSACASA-N 1 0 383.315 2.612 20 0 GFADRO Brc1cc2ncnc(NC3CC[NH+](C[C@H]4CCOC4)CC3)c2s1 ZINC000651319473 565856826 /nfs/dbraw/zinc/85/68/26/565856826.db2.gz DJKZLHBAQWIPGG-LLVKDONJSA-N 1 0 397.342 3.367 20 0 GFADRO C[C@H](NC(=O)Nc1ccc(NS(C)(=O)=O)c(Cl)c1)C1CC[NH+](C)CC1 ZINC000674023876 565857252 /nfs/dbraw/zinc/85/72/52/565857252.db2.gz MHJHGWJWIVVMMO-NSHDSACASA-N 1 0 388.921 2.563 20 0 GFADRO CN([C@@H](C[NH3+])C(F)(F)F)[C@H]1CCc2cc(Br)ccc2NC1=O ZINC000629548652 565857968 /nfs/dbraw/zinc/85/79/68/565857968.db2.gz QYQVHTDPGQHBJO-RYUDHWBXSA-N 1 0 380.208 2.524 20 0 GFADRO [NH3+]C[C@@H]1CN(CC(=O)Nc2ccc(Br)cc2)CC[C@@H]1C(F)(F)F ZINC000629564496 565858993 /nfs/dbraw/zinc/85/89/93/565858993.db2.gz LNQPPJKNOHAMST-MFKMUULPSA-N 1 0 394.235 2.847 20 0 GFADRO CC(=O)N(c1nc(CN2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cs1)C1CC1 ZINC000629564672 565859249 /nfs/dbraw/zinc/85/92/49/565859249.db2.gz UAXWDTYYBPWJPH-FZMZJTMJSA-N 1 0 376.448 2.618 20 0 GFADRO COc1ccc(NC(=O)CN2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1Cl ZINC000629566415 565859339 /nfs/dbraw/zinc/85/93/39/565859339.db2.gz SITJFSWQIUUKIR-CMPLNLGQSA-N 1 0 379.810 2.746 20 0 GFADRO O=C1[C@H]([NH2+]Cc2ccc(I)s2)C[C@H]2CCCCN12 ZINC000602686169 565864310 /nfs/dbraw/zinc/86/43/10/565864310.db2.gz AZTJPBYCLGZDMB-MWLCHTKSSA-N 1 0 376.263 2.596 20 0 GFADRO CC[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)[C@H](C)[NH+](C)C)CC1 ZINC000674288064 565866276 /nfs/dbraw/zinc/86/62/76/565866276.db2.gz UWAATCDFMGWLGA-YOEHRIQHSA-N 1 0 382.346 2.995 20 0 GFADRO COC1CC[NH+](CCNC(=O)Cc2sc(C)nc2-c2cccs2)CC1 ZINC000674309658 565867302 /nfs/dbraw/zinc/86/73/02/565867302.db2.gz GRRULFXVLXXPJY-UHFFFAOYSA-N 1 0 379.551 2.950 20 0 GFADRO COC(=O)[C@@H]1C[N@H+](Cc2cc[nH]c(=O)c2)C[C@H]1c1ccc(Br)cc1 ZINC000602844671 565870632 /nfs/dbraw/zinc/87/06/32/565870632.db2.gz FVRFIFLLPOWLHI-JKSUJKDBSA-N 1 0 391.265 2.938 20 0 GFADRO O=S(=O)(Cc1cc(Cl)sc1Cl)N1CC[C@@H](CN2CCOCC2)C1 ZINC000651578747 565874772 /nfs/dbraw/zinc/87/47/72/565874772.db2.gz BAOXETWIFQXSKG-NSHDSACASA-N 1 0 399.365 2.539 20 0 GFADRO Cc1cc(Br)sc1S(=O)(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000651576310 565875034 /nfs/dbraw/zinc/87/50/34/565875034.db2.gz ARSPVSASWKTLGV-MNOVXSKESA-N 1 0 381.361 2.922 20 0 GFADRO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)CN(C)Cc1c[nH]nc1C ZINC000602942257 565875759 /nfs/dbraw/zinc/87/57/59/565875759.db2.gz MUWFEAAZAKKZGP-UHFFFAOYSA-N 1 0 385.251 2.882 20 0 GFADRO CCn1c(CNC(=O)C[N@H+](C)C2CCC2)nc2cc(Br)ccc21 ZINC000629987394 565877853 /nfs/dbraw/zinc/87/78/53/565877853.db2.gz KVMNTAHGRUQWDZ-UHFFFAOYSA-N 1 0 379.302 2.919 20 0 GFADRO Cc1cc(Br)sc1S(=O)(=O)N(C)CCC[NH+]1CCCC1 ZINC000651686825 565885367 /nfs/dbraw/zinc/88/53/67/565885367.db2.gz MXEUYKCFHNUQHP-UHFFFAOYSA-N 1 0 381.361 2.925 20 0 GFADRO Cc1cc(Br)sc1S(=O)(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000651715262 565887317 /nfs/dbraw/zinc/88/73/17/565887317.db2.gz FPQODZJYSPNGRV-CYBMUJFWSA-N 1 0 379.345 2.535 20 0 GFADRO Cc1cc(Br)sc1S(=O)(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000651715263 565887510 /nfs/dbraw/zinc/88/75/10/565887510.db2.gz FPQODZJYSPNGRV-ZDUSSCGKSA-N 1 0 379.345 2.535 20 0 GFADRO C[C@@H](NC(=O)Cn1cc(CSCC[NH3+])nn1)c1ccc(Cl)c(Cl)c1 ZINC000603176992 565889100 /nfs/dbraw/zinc/88/91/00/565889100.db2.gz DDLWHXSAKPEYSK-SNVBAGLBSA-N 1 0 388.324 2.654 20 0 GFADRO CCC[C@@H](C(=O)OCC)n1cc([C@H]([NH3+])c2ccc(Br)cc2)nn1 ZINC000603202299 565889823 /nfs/dbraw/zinc/88/98/23/565889823.db2.gz SOXJDMAMMHVOSE-LSDHHAIUSA-N 1 0 381.274 2.993 20 0 GFADRO CC(C)C[N@H+](C)CCCNS(=O)(=O)c1cc(F)ccc1Br ZINC000651768847 565891940 /nfs/dbraw/zinc/89/19/40/565891940.db2.gz FTMLVLPEFJQMGG-UHFFFAOYSA-N 1 0 381.311 2.844 20 0 GFADRO C[NH+](C)Cc1ccc(S(=O)(=O)N2CCC3(CC2)C(F)(F)C3(F)F)cc1 ZINC000651801870 565895647 /nfs/dbraw/zinc/89/56/47/565895647.db2.gz MSLQBVCIAFSGQU-UHFFFAOYSA-N 1 0 380.407 2.803 20 0 GFADRO CCOC(=O)c1nc(N2CC[C@]3(C2)CCC[N@H+](C)C3)ccc1Br ZINC000603382960 565902882 /nfs/dbraw/zinc/90/28/82/565902882.db2.gz MIZOGOYFWDWNST-QGZVFWFLSA-N 1 0 382.302 2.943 20 0 GFADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)CCCc1cccc(Br)c1 ZINC000675457138 565903819 /nfs/dbraw/zinc/90/38/19/565903819.db2.gz SGAUWLWSGIVJIC-QGZVFWFLSA-N 1 0 383.330 2.999 20 0 GFADRO COc1cc(C[NH2+]CC[C@]2(O)CCOC2)cc(Br)c1OC(F)F ZINC000651942553 565906684 /nfs/dbraw/zinc/90/66/84/565906684.db2.gz KYODNRWRHJPJIR-HNNXBMFYSA-N 1 0 396.228 2.690 20 0 GFADRO COc1ccc([C@H](C[NH+](C)C)NC(=O)c2nscc2Br)cc1 ZINC000652033240 565911587 /nfs/dbraw/zinc/91/15/87/565911587.db2.gz KXOXCXSAMKDKSC-ZDUSSCGKSA-N 1 0 384.299 2.947 20 0 GFADRO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCN(C(=O)NCc3ccc(Br)cc3)C2)C1 ZINC000652148131 565917657 /nfs/dbraw/zinc/91/76/57/565917657.db2.gz OTEUSRCCJQIZEJ-DJIMGWMZSA-N 1 0 396.329 2.877 20 0 GFADRO C[C@@H](Oc1cc(Cl)cc(Cl)c1)C(=O)NCCCN1CCC[N@H+](C)CC1 ZINC000603898924 565918438 /nfs/dbraw/zinc/91/84/38/565918438.db2.gz LNSLKMFQOKEAKA-CQSZACIVSA-N 1 0 388.339 2.905 20 0 GFADRO CN(CCC[N@H+](C)Cc1ccncc1)C(=O)c1ncc(Br)s1 ZINC000652216283 565919261 /nfs/dbraw/zinc/91/92/61/565919261.db2.gz OQCJGSCNPBTXEA-UHFFFAOYSA-N 1 0 383.315 2.895 20 0 GFADRO C[C@@H]([NH2+][C@@H]1CCN(CCN2CCOCC2)C1)c1sccc1Br ZINC000675886619 565920106 /nfs/dbraw/zinc/92/01/06/565920106.db2.gz SQIUGHWRDYLMMS-ZIAGYGMSSA-N 1 0 388.375 2.568 20 0 GFADRO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCN(S(=O)(=O)c3cc(Cl)sc3Cl)C2)C1 ZINC000652375215 565925712 /nfs/dbraw/zinc/92/57/12/565925712.db2.gz LJCGJEVQVFHIOY-GMTAPVOTSA-N 1 0 399.365 2.962 20 0 GFADRO Cc1nc(-c2ccc(S(=O)(=O)N3C[C@@H]4CCC[C@]4(C[NH3+])C3)s2)cs1 ZINC000652376364 565925958 /nfs/dbraw/zinc/92/59/58/565925958.db2.gz IFIBQEDNKOMKDU-LRDDRELGSA-N 1 0 383.564 2.930 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2S(=O)(=O)c2cccc(Cl)c2F)C1 ZINC000652384749 565927588 /nfs/dbraw/zinc/92/75/88/565927588.db2.gz MEWWPCNVEQPSPB-BNOWGMLFSA-N 1 0 376.881 2.529 20 0 GFADRO O=S(=O)(NCCC1CC[NH2+]CC1)c1cc(Br)ccc1Cl ZINC000652385382 565927653 /nfs/dbraw/zinc/92/76/53/565927653.db2.gz IPOFSHIVEJNMIO-UHFFFAOYSA-N 1 0 381.723 2.771 20 0 GFADRO CCOc1ccc(Br)cc1S(=O)(=O)NCCC1CC[NH2+]CC1 ZINC000652385670 565927665 /nfs/dbraw/zinc/92/76/65/565927665.db2.gz NJSUKWBKKMWPNW-UHFFFAOYSA-N 1 0 391.331 2.516 20 0 GFADRO O=C(CCN1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)Nc1c(Cl)cccc1Cl ZINC000604384528 565928610 /nfs/dbraw/zinc/92/86/10/565928610.db2.gz VMZVSAPWEYVDFJ-HZPDHXFCSA-N 1 0 386.323 2.853 20 0 GFADRO C[C@H](CNC(=O)c1cccn1-c1cccc(I)c1)[NH+](C)C ZINC000604497899 565930919 /nfs/dbraw/zinc/93/09/19/565930919.db2.gz JSVMLVUGYJRRBI-GFCCVEGCSA-N 1 0 397.260 2.762 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)c(Br)c1 ZINC000676270504 565931195 /nfs/dbraw/zinc/93/11/95/565931195.db2.gz RIFUZPUWWQYVMC-CQSZACIVSA-N 1 0 394.313 2.605 20 0 GFADRO C[NH+](C)C[C@@H]1CCCCN1C(=O)c1cc(F)ccc1I ZINC000604562871 565932755 /nfs/dbraw/zinc/93/27/55/565932755.db2.gz JUPBHOYYUHXPRO-LBPRGKRZSA-N 1 0 390.240 2.987 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(C(=O)Nc3nc(C(F)(F)F)cs3)C2)C1 ZINC000652563304 565933316 /nfs/dbraw/zinc/93/33/16/565933316.db2.gz IHDLNEDFQZKKJD-MXWKQRLJSA-N 1 0 378.420 2.912 20 0 GFADRO COCC[NH+]1CCC(NCc2cc(OC)c(Br)cc2F)CC1 ZINC000631051230 565936739 /nfs/dbraw/zinc/93/67/39/565936739.db2.gz BRYMFYDNXCVQOJ-UHFFFAOYSA-N 1 0 375.282 2.797 20 0 GFADRO Cn1nc2c(c1C[NH2+]CCNC(=O)c1cccc(Br)c1)CCCC2 ZINC000631070643 565938903 /nfs/dbraw/zinc/93/89/03/565938903.db2.gz CPYHKFBXRNALPB-UHFFFAOYSA-N 1 0 391.313 2.581 20 0 GFADRO CN(CCCN1CC[NH+](C)CC1)c1ncc(Br)cc1C(F)(F)F ZINC000631115564 565943113 /nfs/dbraw/zinc/94/31/13/565943113.db2.gz VVFLFMPKDIPEPZ-UHFFFAOYSA-N 1 0 395.267 2.937 20 0 GFADRO COc1cc(C[NH2+]C[C@H]2CCCS(=O)(=O)C2)c(F)cc1Br ZINC000631137322 565944561 /nfs/dbraw/zinc/94/45/61/565944561.db2.gz ZKHFKEANILJRDA-SNVBAGLBSA-N 1 0 380.279 2.511 20 0 GFADRO C[C@@H](NC(=O)c1cnn(CC[NH+](C)C)c1)c1ccc(F)c(Br)c1 ZINC000631162209 565945080 /nfs/dbraw/zinc/94/50/80/565945080.db2.gz BJIWOJZJVKGEGL-LLVKDONJSA-N 1 0 383.265 2.837 20 0 GFADRO Cc1cc(N2CCC([NH2+]CCO)CC2)nc(-c2ccc(Br)cc2)n1 ZINC000631185197 565946945 /nfs/dbraw/zinc/94/69/45/565946945.db2.gz BMNTYZUBKZPLBK-UHFFFAOYSA-N 1 0 391.313 2.765 20 0 GFADRO C[NH+](C)CC[C@H](N)C(=O)NCCCCSc1ccccc1Br ZINC000653088689 565954002 /nfs/dbraw/zinc/95/40/02/565954002.db2.gz HPJQGFQASMFIEA-AWEZNQCLSA-N 1 0 388.375 2.717 20 0 GFADRO O=C(c1cnc(-c2cccc(Cl)c2)s1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000653140639 565956503 /nfs/dbraw/zinc/95/65/03/565956503.db2.gz IZUBNVJJUJTJKJ-OAHLLOKOSA-N 1 0 376.913 2.583 20 0 GFADRO C[NH+](C)CC[C@H](N)C(=O)N1CCCC[C@@H]1Cc1cccc(Br)c1 ZINC000653166008 565957284 /nfs/dbraw/zinc/95/72/84/565957284.db2.gz QDYLJQURWPICFT-SJORKVTESA-N 1 0 382.346 2.652 20 0 GFADRO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCN(C(=O)c3c(F)cccc3Br)C2)C1 ZINC000653189481 565958363 /nfs/dbraw/zinc/95/83/63/565958363.db2.gz YFAVLUNUUOGRJQ-YWPYICTPSA-N 1 0 385.277 2.947 20 0 GFADRO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCN(C(=O)Cc3cccc(Br)c3)C2)C1 ZINC000653188615 565958474 /nfs/dbraw/zinc/95/84/74/565958474.db2.gz MSVSXIMOXNAEMK-DJIMGWMZSA-N 1 0 381.314 2.737 20 0 GFADRO [NH3+]CC1(CCNC(=O)C2(c3ccc(Br)cc3)CCOCC2)CC1 ZINC000653219833 565959631 /nfs/dbraw/zinc/95/96/31/565959631.db2.gz SFGZWTMXLNSNKE-UHFFFAOYSA-N 1 0 381.314 2.743 20 0 GFADRO CN1CC[C@H]([NH+]2CCC(NC(=O)Nc3cc(Cl)cc(Cl)c3)CC2)C1=O ZINC000631529375 565961720 /nfs/dbraw/zinc/96/17/20/565961720.db2.gz JEOVOSUDNVAKKO-HNNXBMFYSA-N 1 0 385.295 2.810 20 0 GFADRO C[C@@H](NC(=O)C(=O)N(C)CC[NH+]1CCCCC1)c1ccc(Br)cc1 ZINC000653353786 565964651 /nfs/dbraw/zinc/96/46/51/565964651.db2.gz IIGLUTPEILPVDY-CQSZACIVSA-N 1 0 396.329 2.571 20 0 GFADRO CC(=O)N1CC[C@H](C[N@H+](C)C[C@H](O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000677267700 565967788 /nfs/dbraw/zinc/96/77/88/565967788.db2.gz JBSLCXXXFZHYGH-KGLIPLIRSA-N 1 0 375.296 2.533 20 0 GFADRO OCC[NH2+]C1CCN(Cc2ncc(-c3cccc(Br)c3)o2)CC1 ZINC000631862387 565978298 /nfs/dbraw/zinc/97/82/98/565978298.db2.gz IKMDHNUROBWPDR-UHFFFAOYSA-N 1 0 380.286 2.650 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2cccc(Br)c2)C[C@H]1C ZINC000607161236 565978978 /nfs/dbraw/zinc/97/89/78/565978978.db2.gz MHTSIEQWVAFTMO-OCCSQVGLSA-N 1 0 375.332 2.942 20 0 GFADRO CC(C)[NH2+][C@@H]1CCCN(C(=O)c2ccc(Br)cc2-n2cncn2)C1 ZINC000677645111 565979243 /nfs/dbraw/zinc/97/92/43/565979243.db2.gz ZNYYQOOKDIYOIX-CQSZACIVSA-N 1 0 392.301 2.632 20 0 GFADRO COc1cc(C[NH2+][C@H]2CCC[C@@H](S(C)(=O)=O)C2)c(Br)cc1O ZINC000607169210 565980519 /nfs/dbraw/zinc/98/05/19/565980519.db2.gz MBEDDKBUYOFNJQ-NWDGAFQWSA-N 1 0 392.315 2.609 20 0 GFADRO C[N@H+](CC[C@@H]1CCS(=O)(=O)C1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000677677895 565980637 /nfs/dbraw/zinc/98/06/37/565980637.db2.gz DHFQJYPKCYYLNE-GTTSAUCSSA-N 1 0 378.321 2.708 20 0 GFADRO O=C(CCN1CCC[C@H]2C[NH2+]CC[C@H]21)Nc1ccc(Br)cc1F ZINC000631887412 565981148 /nfs/dbraw/zinc/98/11/48/565981148.db2.gz NIVXFKIWWDCORU-BLLLJJGKSA-N 1 0 384.293 2.991 20 0 GFADRO O=C(CCN1CCC[C@@H]2C[NH2+]CC[C@H]21)Nc1ccc(Br)cc1F ZINC000631887414 565981227 /nfs/dbraw/zinc/98/12/27/565981227.db2.gz NIVXFKIWWDCORU-MLGOLLRUSA-N 1 0 384.293 2.991 20 0 GFADRO CCN(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)N(C)C1CC[NH2+]CC1 ZINC000631914403 565982380 /nfs/dbraw/zinc/98/23/80/565982380.db2.gz QVIJRAYOCFXHBS-UHFFFAOYSA-N 1 0 380.341 2.744 20 0 GFADRO COCC[C@H](Cc1cccc(Br)c1)C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000607339730 565982591 /nfs/dbraw/zinc/98/25/91/565982591.db2.gz QJCYTMZFJYZOOO-WBVHZDCISA-N 1 0 383.330 2.855 20 0 GFADRO CN(Cc1ccc(Cl)s1)C(=O)CC[NH+]1CCN(c2ccccn2)CC1 ZINC000607282031 565982770 /nfs/dbraw/zinc/98/27/70/565982770.db2.gz SELGXOCXLOEVJI-UHFFFAOYSA-N 1 0 378.929 2.967 20 0 GFADRO CN(C1CC[NH2+]CC1)S(=O)(=O)NCC1(c2cccc(Cl)c2)CCCC1 ZINC000631915551 565983604 /nfs/dbraw/zinc/98/36/04/565983604.db2.gz MMALGKGKCXCXPU-UHFFFAOYSA-N 1 0 385.961 2.670 20 0 GFADRO C[C@H]1C[C@@H](N(C)C(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CC2)CC[N@@H+]1C ZINC000607665226 565987190 /nfs/dbraw/zinc/98/71/90/565987190.db2.gz STEGRBNUUPLVOM-ZFWWWQNUSA-N 1 0 384.929 2.587 20 0 GFADRO CCOCCC[N@@H+]1CC[C@H](NS(=O)(=O)c2ccc(C(F)F)o2)[C@@H](C)C1 ZINC000631977983 565987547 /nfs/dbraw/zinc/98/75/47/565987547.db2.gz YFPCBCLJPUSZDJ-STQMWFEESA-N 1 0 380.457 2.633 20 0 GFADRO CN(C(=O)[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)[C@@H]1CCC[N@H+](C)C1 ZINC000607687199 565987867 /nfs/dbraw/zinc/98/78/67/565987867.db2.gz RHIHUUZKCHEXLA-ZIAGYGMSSA-N 1 0 384.307 2.899 20 0 GFADRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1cc(=O)c2cc(Br)ccc2[nH]1 ZINC000607660129 565987991 /nfs/dbraw/zinc/98/79/91/565987991.db2.gz PXDLHIFLHAMZFU-MEDUHNTESA-N 1 0 392.297 2.703 20 0 GFADRO O=C([C@@H]1C[N@@H+]2CCN1CCC2)N1CCC[C@H]1c1ccccc1Br ZINC000677912315 565988347 /nfs/dbraw/zinc/98/83/47/565988347.db2.gz UNYLGGDMIPUQTB-IRXDYDNUSA-N 1 0 378.314 2.503 20 0 GFADRO O=C([C@@H]1CCC[N@@H+](CCOc2cc(Cl)cc(Cl)c2)C1)N1CCOCC1 ZINC000607726038 565988818 /nfs/dbraw/zinc/98/88/18/565988818.db2.gz VDPLODAYPFHUQA-CQSZACIVSA-N 1 0 387.307 2.943 20 0 GFADRO C[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2cc([O-])cc(F)c2)[C@@H]1c1cccs1 ZINC000632028105 565991751 /nfs/dbraw/zinc/99/17/51/565991751.db2.gz UWTXFUJXIXECSG-YVEFUNNKSA-N 1 0 384.498 2.954 20 0 GFADRO Cc1ccc(C[C@@H](CO)CNC(=O)[C@H]2CCCC[N@H+]2C)cc1Br ZINC000654074145 565994565 /nfs/dbraw/zinc/99/45/65/565994565.db2.gz VATIQFDANGZRCH-NVXWUHKLSA-N 1 0 383.330 2.509 20 0 GFADRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)COc2ccc(Br)cc2Cl)C1 ZINC000654069274 565995217 /nfs/dbraw/zinc/99/52/17/565995217.db2.gz HPCLSQFPIBVXIB-KLPPZKSPSA-N 1 0 375.694 2.938 20 0 GFADRO C[N@@H+]1CCC[C@@H]2CN(S(=O)(=O)c3cscc3Br)CC[C@@H]21 ZINC000632112090 566000486 /nfs/dbraw/zinc/00/04/86/566000486.db2.gz MSCHAQZTWVUMRL-PWSUYJOCSA-N 1 0 379.345 2.615 20 0 GFADRO CCC(=O)N1CCC([NH2+]Cc2cc(Br)c3c(c2)OCCO3)CC1 ZINC000608068750 566001117 /nfs/dbraw/zinc/00/11/17/566001117.db2.gz YRKURERWACMGMN-UHFFFAOYSA-N 1 0 383.286 2.711 20 0 GFADRO CN(C)c1ncc(Br)cc1C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000654311065 566005367 /nfs/dbraw/zinc/00/53/67/566005367.db2.gz NAPLVEJENURYKW-GJZGRUSLSA-N 1 0 381.318 2.657 20 0 GFADRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)CCn2cc(Br)cn2)C1 ZINC000608168498 566007841 /nfs/dbraw/zinc/00/78/41/566007841.db2.gz JIWMGDUYDIBTNT-QGZVFWFLSA-N 1 0 391.313 2.769 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)N1CCOc2cccc(Br)c2C1 ZINC000654444814 566010147 /nfs/dbraw/zinc/01/01/47/566010147.db2.gz CVYSQZLHIGDMLF-GFCCVEGCSA-N 1 0 380.286 2.590 20 0 GFADRO O=C(NCc1ccc(O)c(Br)c1)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000654496459 566012371 /nfs/dbraw/zinc/01/23/71/566012371.db2.gz UTYRPNDVZLXSFZ-CABCVRRESA-N 1 0 382.302 2.971 20 0 GFADRO C[C@H](COc1ccc2cc(Br)ccc2c1)[NH2+]CCc1nnnn1C ZINC000678546753 566012577 /nfs/dbraw/zinc/01/25/77/566012577.db2.gz LEUHXRZKLLLIIN-GFCCVEGCSA-N 1 0 390.285 2.725 20 0 GFADRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)N[C@H]2COc3cc(F)c(Br)cc32)C1 ZINC000654557033 566015055 /nfs/dbraw/zinc/01/50/55/566015055.db2.gz GWCDCSARQFSAFG-RBZYPMLTSA-N 1 0 386.265 2.661 20 0 GFADRO C[C@H](C(=O)N1CCN(C(=O)c2c(Cl)cccc2Cl)CC1)[NH+]1CC(C)C1 ZINC000654567583 566015924 /nfs/dbraw/zinc/01/59/24/566015924.db2.gz QPABQWLSINXQEW-CYBMUJFWSA-N 1 0 384.307 2.618 20 0 GFADRO COCCOC[C@H]1CC[N@H+](C[C@H](O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000608504896 566016144 /nfs/dbraw/zinc/01/61/44/566016144.db2.gz JBBJMPWKJYFIJO-KBPBESRZSA-N 1 0 378.296 2.718 20 0 GFADRO COc1ccc([C@@H](C)NCc2nc3c(cnn3C)c(=O)[nH]2)cc1Br ZINC000678733016 566018703 /nfs/dbraw/zinc/01/87/03/566018703.db2.gz DUIVUMZHOURJNF-SECBINFHSA-N 1 0 392.257 2.691 20 0 GFADRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)N2CCc3cc(Br)cc(F)c3C2)C1 ZINC000654662265 566018772 /nfs/dbraw/zinc/01/87/72/566018772.db2.gz IUIDACGHSRFGBV-VDISTLRHSA-N 1 0 384.293 2.996 20 0 GFADRO C[C@@H]1CSc2ccc(Br)cc2[C@H]1[NH2+]CC(=O)N1CCN(C)CC1 ZINC000678767749 566019590 /nfs/dbraw/zinc/01/95/90/566019590.db2.gz QMYMKVIEHKHQBH-PXAZEXFGSA-N 1 0 398.370 2.596 20 0 GFADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3[C@@H]4Cc5cc(Br)ccc5[C@@H]43)[C@@H]2C1 ZINC000632336911 566022718 /nfs/dbraw/zinc/02/27/18/566022718.db2.gz GTNLVVWAFLLOKY-VGLCKJCNSA-N 1 0 375.310 2.887 20 0 GFADRO C[NH+](C)CC1CN(S(=O)(=O)c2ccc3ccccc3c2Br)C1 ZINC000632382914 566026565 /nfs/dbraw/zinc/02/65/65/566026565.db2.gz NAFBJHKBTMDUJH-UHFFFAOYSA-N 1 0 383.311 2.784 20 0 GFADRO O=C(C[NH2+]C1(CO)CCCCC1)Nc1c(F)cc(F)cc1Br ZINC000678973715 566026590 /nfs/dbraw/zinc/02/65/90/566026590.db2.gz YZFNYFSVJPFATF-UHFFFAOYSA-N 1 0 377.229 2.951 20 0 GFADRO Cc1ccc(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)cc1I ZINC000609070657 566029819 /nfs/dbraw/zinc/02/98/19/566029819.db2.gz HHTAHTRGFDSMKG-LSDHHAIUSA-N 1 0 384.261 2.956 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000654945480 566031484 /nfs/dbraw/zinc/03/14/84/566031484.db2.gz BWGCXDTVWDRNJO-GDBMZVCRSA-N 1 0 394.313 2.829 20 0 GFADRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc(I)c(F)c1 ZINC000609164289 566032614 /nfs/dbraw/zinc/03/26/14/566032614.db2.gz LEXZGSQWPDGJEB-KBPBESRZSA-N 1 0 388.224 2.787 20 0 GFADRO C[NH+](C)C1CCN(C(=O)c2ccc(I)c(F)c2)CC1 ZINC000609200931 566033502 /nfs/dbraw/zinc/03/35/02/566033502.db2.gz DSVQOQXBNBXDMT-UHFFFAOYSA-N 1 0 376.213 2.597 20 0 GFADRO C[C@@H]1CN(CC[NH2+][C@@H](c2ccc(Br)cc2)[C@H]2CCCO2)CCO1 ZINC000679339802 566038127 /nfs/dbraw/zinc/03/81/27/566038127.db2.gz OYHINWLVRQMLAW-OLMNPRSZSA-N 1 0 383.330 2.980 20 0 GFADRO O=C(c1cc2ccc(Br)cc2s1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000655293807 566050398 /nfs/dbraw/zinc/05/03/98/566050398.db2.gz AWGBPGNFRXSCQT-QWHCGFSZSA-N 1 0 381.295 2.555 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)CCC[N@H+]1CCNC(=O)C[C@H]1C ZINC000679821241 566053720 /nfs/dbraw/zinc/05/37/20/566053720.db2.gz HWRKGBHQRNFIFA-CQSZACIVSA-N 1 0 396.329 2.995 20 0 GFADRO Cc1ccc(OC[C@@H](O)C[NH2+][C@@H](CO)c2ccc(Br)cc2)cc1 ZINC000679832363 566054675 /nfs/dbraw/zinc/05/46/75/566054675.db2.gz PQWWJISWNINDSS-WMZOPIPTSA-N 1 0 380.282 2.820 20 0 GFADRO C[C@H](NC(=O)[C@H]1C[C@@]12CCC[NH2+]C2)c1cc2c(cc1Br)OCCO2 ZINC000655429164 566056549 /nfs/dbraw/zinc/05/65/49/566056549.db2.gz SFABBLXMDZZPQP-WHWRDJHUSA-N 1 0 395.297 2.787 20 0 GFADRO COC1CC[NH+](CCNC(=O)CCc2cc(F)ccc2Br)CC1 ZINC000680193100 566064689 /nfs/dbraw/zinc/06/46/89/566064689.db2.gz LTDAXEAWCMHMAC-UHFFFAOYSA-N 1 0 387.293 2.748 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(I)c[nH]2)C[C@@H]1C ZINC000610125540 566066884 /nfs/dbraw/zinc/06/68/84/566066884.db2.gz BQZLGCBXKNXUSO-CMPLNLGQSA-N 1 0 375.254 2.564 20 0 GFADRO O=C(c1cc(=O)[nH]c2ccc(Br)cc21)N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000632858526 566071245 /nfs/dbraw/zinc/07/12/45/566071245.db2.gz MJENZNRTARWVAV-BZNIZROVSA-N 1 0 390.281 2.917 20 0 GFADRO C[C@H]1C[C@H](NC(=O)c2cc(F)ccc2I)CC[N@@H+]1C ZINC000610209594 566071406 /nfs/dbraw/zinc/07/14/06/566071406.db2.gz UCAPOGCAUJVILH-GXSJLCMTSA-N 1 0 376.213 2.643 20 0 GFADRO O=C(c1ccc(-n2cc(Br)cn2)cc1)N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000632861984 566072086 /nfs/dbraw/zinc/07/20/86/566072086.db2.gz PZVAOUDQUMYIGM-PBHICJAKSA-N 1 0 389.297 2.849 20 0 GFADRO O=C(c1cnn(-c2ccc(Br)cc2)c1)N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000632861515 566072502 /nfs/dbraw/zinc/07/25/02/566072502.db2.gz SFNGUFJHNICVMR-CXAGYDPISA-N 1 0 389.297 2.849 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N[C@H]2CC[NH2+]CC(C)(C)C2)cc1Br ZINC000633046400 566080904 /nfs/dbraw/zinc/08/09/04/566080904.db2.gz RGIVAAGXDLKGPG-ZDUSSCGKSA-N 1 0 396.329 2.899 20 0 GFADRO O=C(NCCC[NH2+]Cc1cc2n(n1)CCCC2)c1ccc(Br)cc1 ZINC000655725011 566083518 /nfs/dbraw/zinc/08/35/18/566083518.db2.gz KQYKHTJXRYIHTM-UHFFFAOYSA-N 1 0 391.313 2.892 20 0 GFADRO Cc1nn(-c2ccccc2Br)cc1C[NH2+][C@@H]1CCCN(C)C1=O ZINC000655743184 566085138 /nfs/dbraw/zinc/08/51/38/566085138.db2.gz CTBSEASNYLOJNN-OAHLLOKOSA-N 1 0 377.286 2.654 20 0 GFADRO CCc1nncn1CC[NH2+]Cc1cn(-c2cccc(Br)c2)nc1C ZINC000655744451 566085519 /nfs/dbraw/zinc/08/55/19/566085519.db2.gz ZTRRQSBBINODHC-UHFFFAOYSA-N 1 0 389.301 2.887 20 0 GFADRO Cc1nn(-c2ccccc2Br)cc1C[NH2+][C@@H]1CC(=O)N(C2CC2)C1 ZINC000655742895 566086019 /nfs/dbraw/zinc/08/60/19/566086019.db2.gz BVSRZXRIJVNMJE-CQSZACIVSA-N 1 0 389.297 2.796 20 0 GFADRO Cc1nn(-c2cccc(Br)c2)cc1C[NH2+][C@@H](C)[C@H]1CN(C)CCO1 ZINC000655747770 566086149 /nfs/dbraw/zinc/08/61/49/566086149.db2.gz WUJYVTURUTYBIU-KBXCAEBGSA-N 1 0 393.329 2.752 20 0 GFADRO C[N@H+](CCCOc1cccc(I)c1)C[C@@H](O)C1CC1 ZINC000610572894 566088583 /nfs/dbraw/zinc/08/85/83/566088583.db2.gz UFXULONVJGIQMK-OAHLLOKOSA-N 1 0 375.250 2.763 20 0 GFADRO CCN1C[C@H]([NH2+]Cc2cn(-c3cccc(Br)c3)nc2C)CC1=O ZINC000655778294 566088693 /nfs/dbraw/zinc/08/86/93/566088693.db2.gz GTCBIOKFRUQJBO-OAHLLOKOSA-N 1 0 377.286 2.654 20 0 GFADRO COC[C@](C)(O)CC[NH2+]Cc1cn(-c2ccccc2Br)nc1C ZINC000655776908 566088770 /nfs/dbraw/zinc/08/87/70/566088770.db2.gz NEJONVPYKNORFG-QGZVFWFLSA-N 1 0 382.302 2.820 20 0 GFADRO Cc1nn(-c2cccc(Br)c2)cc1C[NH2+][C@@H](CO)[C@@H]1CCCOC1 ZINC000655781160 566088979 /nfs/dbraw/zinc/08/89/79/566088979.db2.gz AHIDSJUFKFGRJZ-KDOFPFPSSA-N 1 0 394.313 2.820 20 0 GFADRO COc1ccc(C[C@@H](CO)C[NH2+][C@@H]2CCCn3ccnc32)cc1Br ZINC000655774002 566089204 /nfs/dbraw/zinc/08/92/04/566089204.db2.gz NIKSCZKDHWJHCH-GDBMZVCRSA-N 1 0 394.313 2.930 20 0 GFADRO Cc1nn(-c2cccc(Br)c2)cc1C[NH2+][C@H](C)C(=O)NC(C)C ZINC000655781767 566090139 /nfs/dbraw/zinc/09/01/39/566090139.db2.gz QVUUJEURBJJMRK-CYBMUJFWSA-N 1 0 379.302 2.946 20 0 GFADRO C[C@@H]1CN(c2ccc(Cl)c(F)c2)CCN1C(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000655926164 566096490 /nfs/dbraw/zinc/09/64/90/566096490.db2.gz HMTWNHMKQCYSFE-RNCFNFMXSA-N 1 0 382.789 2.589 20 0 GFADRO [NH3+]C[C@H](NC(=O)N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1)C(F)(F)F ZINC000655925893 566096828 /nfs/dbraw/zinc/09/68/28/566096828.db2.gz ABGXWAQUGWHFAE-XROYCOCOSA-N 1 0 384.171 2.633 20 0 GFADRO COC(=O)C[C@@H]1CSCC[N@@H+]1C[C@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000610781369 566097923 /nfs/dbraw/zinc/09/79/23/566097923.db2.gz IKINKPBWVNYOEZ-NEPJUHHUSA-N 1 0 394.320 2.714 20 0 GFADRO CC(C)Sc1ccc(Cl)cc1NC(=O)C(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000655959295 566098915 /nfs/dbraw/zinc/09/89/15/566098915.db2.gz ULDYJOTUQYCUBJ-LLVKDONJSA-N 1 0 383.823 2.785 20 0 GFADRO Cc1c(Br)cccc1CS(=O)(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000655951859 566099279 /nfs/dbraw/zinc/09/92/79/566099279.db2.gz FQUIDFRAQXLWLB-INIZCTEOSA-N 1 0 387.343 2.663 20 0 GFADRO Cn1ncc(Br)c1CNC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000633450311 566103647 /nfs/dbraw/zinc/10/36/47/566103647.db2.gz XXTLXCMZYMWSAN-UHFFFAOYSA-N 1 0 398.349 2.779 20 0 GFADRO C[NH+]1CCN(c2ccc(CNc3ncc(Br)cc3F)cn2)CC1 ZINC000681373931 566103794 /nfs/dbraw/zinc/10/37/94/566103794.db2.gz XXOHGEZTGYNCKO-UHFFFAOYSA-N 1 0 380.265 2.742 20 0 GFADRO CCn1nccc1C(=O)Nc1cc(Br)ccc1N1CC[NH+](C)CC1 ZINC000681473095 566109609 /nfs/dbraw/zinc/10/96/09/566109609.db2.gz ZZQRHTPOKIAJGI-UHFFFAOYSA-N 1 0 392.301 2.670 20 0 GFADRO NS(=O)(=O)c1ccc(N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)c(C(F)(F)F)c1 ZINC000656228073 566114855 /nfs/dbraw/zinc/11/48/55/566114855.db2.gz VEIUMSQWXOOLDR-GJZGRUSLSA-N 1 0 377.432 2.782 20 0 GFADRO COc1nc(C)c(Br)cc1C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000681621502 566118653 /nfs/dbraw/zinc/11/86/53/566118653.db2.gz XCRLOSDJLJPJGF-UHFFFAOYSA-N 1 0 391.269 2.519 20 0 GFADRO COc1cc(Br)ccc1CNC(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000681652520 566120331 /nfs/dbraw/zinc/12/03/31/566120331.db2.gz NTISBHFUFJWTPM-HNNXBMFYSA-N 1 0 382.302 2.741 20 0 GFADRO COC[C@]1(CO)CC[N@H+](Cc2cn(-c3cccc(Br)c3)nc2C)C1 ZINC000656261502 566121068 /nfs/dbraw/zinc/12/10/68/566121068.db2.gz DBBBRQFSUJSZSD-GOSISDBHSA-N 1 0 394.313 2.774 20 0 GFADRO O=C(NCc1nc2c(cccc2Br)[nH]1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000656275461 566122296 /nfs/dbraw/zinc/12/22/96/566122296.db2.gz UCCRVLFRCDIICM-GFCCVEGCSA-N 1 0 392.301 2.705 20 0 GFADRO O=C(NCc1nc2c(cccc2Br)[nH]1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000656275459 566122581 /nfs/dbraw/zinc/12/25/81/566122581.db2.gz SYJDWMDARBJWQO-GFCCVEGCSA-N 1 0 392.301 2.705 20 0 GFADRO C[N@@H+]1CCCN(CCCNC(=O)c2c[nH]nc2-c2ccc(Cl)s2)CC1 ZINC000681730636 566123867 /nfs/dbraw/zinc/12/38/67/566123867.db2.gz CHNMQWAWMZZYCM-UHFFFAOYSA-N 1 0 381.933 2.549 20 0 GFADRO C[N@@H+]1CCC[C@H](NC(=O)Nc2ccnn2Cc2ccc(Br)cc2)C1 ZINC000681775484 566124433 /nfs/dbraw/zinc/12/44/33/566124433.db2.gz BGXXISBHAUXLCH-HNNXBMFYSA-N 1 0 392.301 2.910 20 0 GFADRO CC[C@@H](Cc1cccs1)[NH2+]C1CN(S(=O)(=O)c2ccc(OC)cc2)C1 ZINC000681750972 566124602 /nfs/dbraw/zinc/12/46/02/566124602.db2.gz PAKQVZQSDUBGAW-AWEZNQCLSA-N 1 0 380.535 2.741 20 0 GFADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)c1c(Br)cnn1C ZINC000633802474 566125658 /nfs/dbraw/zinc/12/56/58/566125658.db2.gz JCARTTMFAISHNE-UKRRQHHQSA-N 1 0 391.313 2.681 20 0 GFADRO NC(=O)c1ccccc1N1CC[C@@H]([NH2+]Cc2cccc(O)c2Br)C1 ZINC000656499131 566128947 /nfs/dbraw/zinc/12/89/47/566128947.db2.gz QNCKEMBYIJDRLU-CYBMUJFWSA-N 1 0 390.281 2.622 20 0 GFADRO CN(CC1CC[NH+](C)CC1)C(=O)c1cnc2ncc(Br)cc2c1 ZINC000681987120 566136197 /nfs/dbraw/zinc/13/61/97/566136197.db2.gz MDCBCNCVCBEDJE-UHFFFAOYSA-N 1 0 377.286 2.806 20 0 GFADRO CCO[C@@H]1C[C@@](CO)([NH2+]C[C@@H](O)COc2ccc(Cl)c(Cl)c2)C1(C)C ZINC000682043203 566141632 /nfs/dbraw/zinc/14/16/32/566141632.db2.gz IOQOVTKTQDZOLI-NJAPINKUSA-N 1 0 392.323 2.889 20 0 GFADRO O[C@@H](C[NH2+]Cc1cccc2c1OCO2)COc1cc(F)cc(Br)c1 ZINC000682187660 566146658 /nfs/dbraw/zinc/14/66/58/566146658.db2.gz ZCHRTQVNKANPAZ-AWEZNQCLSA-N 1 0 398.228 2.846 20 0 GFADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)Nc1cccc(Br)c1C ZINC000682272305 566149254 /nfs/dbraw/zinc/14/92/54/566149254.db2.gz KERSJEXKEFEDHE-ZDUSSCGKSA-N 1 0 382.302 2.687 20 0 GFADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)Nc1ccc(C)c(Br)c1 ZINC000682274258 566149643 /nfs/dbraw/zinc/14/96/43/566149643.db2.gz PXRMPKHDPUIZJU-ZDUSSCGKSA-N 1 0 382.302 2.687 20 0 GFADRO CCN1CC[C@H]([NH2+]CC2(c3ccc(Br)cc3)CCOCC2)C1=O ZINC000656673807 566154527 /nfs/dbraw/zinc/15/45/27/566154527.db2.gz QGGGZVLTWXMODE-INIZCTEOSA-N 1 0 381.314 2.708 20 0 GFADRO Cn1ncc(C2CCC2)c1C[NH2+]C[C@H](O)COc1ccc(Br)cc1 ZINC000656712299 566156733 /nfs/dbraw/zinc/15/67/33/566156733.db2.gz SGQLVMRVAVJUQD-HNNXBMFYSA-N 1 0 394.313 2.980 20 0 GFADRO COCCC[C@H]([NH2+]CCC1CS(=O)(=O)C1)c1ccc(Br)cc1 ZINC000682501257 566159400 /nfs/dbraw/zinc/15/94/00/566159400.db2.gz PJYGDSCANJOPRL-INIZCTEOSA-N 1 0 390.343 2.941 20 0 GFADRO CC[C@@H](CO)[NH+]1CCN(C(=O)Cc2ccc(Br)c(Cl)c2)CC1 ZINC000682515825 566160325 /nfs/dbraw/zinc/16/03/25/566160325.db2.gz YNWZQBZBCLUAKM-ZDUSSCGKSA-N 1 0 389.721 2.560 20 0 GFADRO C[C@@](O)(C[C@@H](O)C[NH2+]CCC(=O)Nc1cc(Cl)cc(Cl)c1)C1CC1 ZINC000634714739 566172126 /nfs/dbraw/zinc/17/21/26/566172126.db2.gz QFWBBQNBYQQSNT-NVXWUHKLSA-N 1 0 375.296 2.824 20 0 GFADRO C[C@H](CC(F)(F)F)CS(=O)(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000656871839 566172314 /nfs/dbraw/zinc/17/23/14/566172314.db2.gz GASBJTBROMGSGE-CQSZACIVSA-N 1 0 378.460 2.943 20 0 GFADRO O[C@H](C[NH2+]Cc1cnc(-c2ccc(Cl)cc2)s1)CC1(O)CCOCC1 ZINC000634715237 566172615 /nfs/dbraw/zinc/17/26/15/566172615.db2.gz ZPPOAZYQFRUNIJ-HNNXBMFYSA-N 1 0 382.913 2.846 20 0 GFADRO O[C@H](C[NH2+]CCn1ccc(C(F)(F)F)n1)COCc1ccccc1Cl ZINC000634731406 566173543 /nfs/dbraw/zinc/17/35/43/566173543.db2.gz URWJTMQOZSQJMH-CYBMUJFWSA-N 1 0 377.794 2.723 20 0 GFADRO Cn1ncc(Br)c1C[NH2+]C[C@@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC000634725788 566173802 /nfs/dbraw/zinc/17/38/02/566173802.db2.gz DBAPCYYGUWQDGL-LBPRGKRZSA-N 1 0 392.219 2.895 20 0 GFADRO CCC1CCN(S(=O)(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)CC1 ZINC000656888545 566175354 /nfs/dbraw/zinc/17/53/54/566175354.db2.gz FIEQHUCJUDEULQ-KRWDZBQOSA-N 1 0 385.599 2.917 20 0 GFADRO C[NH+](C)CCN(Cc1ccccn1)S(=O)(=O)CCc1ccccc1Cl ZINC000656896760 566177516 /nfs/dbraw/zinc/17/75/16/566177516.db2.gz LFOHFEHHUDSPND-UHFFFAOYSA-N 1 0 381.929 2.671 20 0 GFADRO CO[C@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000612978969 566181321 /nfs/dbraw/zinc/18/13/21/566181321.db2.gz CTDXUMLWUWXKBF-WQVCFCJDSA-N 1 0 396.329 2.966 20 0 GFADRO CCCOc1ccc(Br)cc1S(=O)(=O)N[C@H](C)CC[NH+](C)C ZINC000656917944 566183261 /nfs/dbraw/zinc/18/32/61/566183261.db2.gz MDAGPYJSEHCDHG-GFCCVEGCSA-N 1 0 393.347 2.856 20 0 GFADRO CN(CC[NH+](C)C)S(=O)(=O)c1cc(Cl)c(Cl)cc1Br ZINC000656924054 566184186 /nfs/dbraw/zinc/18/41/86/566184186.db2.gz DETOIMBCFYZUTR-UHFFFAOYSA-N 1 0 390.130 2.938 20 0 GFADRO C[C@@H]1OCC[C@]1(C)[NH2+]C[C@H](O)COc1ccc(Cl)cc1Br ZINC000683147307 566185316 /nfs/dbraw/zinc/18/53/16/566185316.db2.gz WMYRQUUCABDNQG-WBIUFABUSA-N 1 0 378.694 2.999 20 0 GFADRO O=S(=O)(NC1CC[NH+](C2CCCC2)CC1)c1ncccc1Br ZINC000656928002 566185398 /nfs/dbraw/zinc/18/53/98/566185398.db2.gz GXVLPNUOTXUNCN-UHFFFAOYSA-N 1 0 388.331 2.529 20 0 GFADRO O=C1[C@H]([NH2+][C@H]2CCCS(=O)(=O)CC2)CCN1c1ccc(Cl)c(Cl)c1 ZINC000634975503 566186360 /nfs/dbraw/zinc/18/63/60/566186360.db2.gz ZWDBLUGJGUGLTE-XHDPSFHLSA-N 1 0 391.320 2.656 20 0 GFADRO Cn1ncc(Br)c1CN[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000635020492 566189246 /nfs/dbraw/zinc/18/92/46/566189246.db2.gz LNWMRIWHMMMFAK-WMLDXEAASA-N 1 0 377.286 2.528 20 0 GFADRO O=C1N[C@@H](c2ccc(Br)cc2)C(=O)N1[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000683284937 566192438 /nfs/dbraw/zinc/19/24/38/566192438.db2.gz FEJKUUPKXCEUOL-CABCVRRESA-N 1 0 378.270 2.526 20 0 GFADRO Cn1cc(Br)c(=O)c(NC(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000613320292 566194207 /nfs/dbraw/zinc/19/42/07/566194207.db2.gz DNOZDPPJSFIOHE-CQSZACIVSA-N 1 0 390.281 2.608 20 0 GFADRO CCc1nn(C)cc1C[NH2+][C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000683340235 566194942 /nfs/dbraw/zinc/19/49/42/566194942.db2.gz FOUDFXCMUKDTMD-MRXNPFEDSA-N 1 0 377.286 2.640 20 0 GFADRO O[C@@H](COc1ccc(Br)cc1)C[N@@H+]1CCC[C@H](c2ccncn2)C1 ZINC000613380528 566196431 /nfs/dbraw/zinc/19/64/31/566196431.db2.gz ASDKSZCRODAFBW-GOEBONIOSA-N 1 0 392.297 2.858 20 0 GFADRO O=C(c1ncc(Br)s1)N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000683410888 566198715 /nfs/dbraw/zinc/19/87/15/566198715.db2.gz BPGHWBSUMGSVIJ-LBPRGKRZSA-N 1 0 388.331 2.623 20 0 GFADRO O=C(c1ncc(Br)s1)N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000683410887 566198871 /nfs/dbraw/zinc/19/88/71/566198871.db2.gz BPGHWBSUMGSVIJ-GFCCVEGCSA-N 1 0 388.331 2.623 20 0 GFADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)c1c(Cl)cccc1Br ZINC000613603685 566203867 /nfs/dbraw/zinc/20/38/67/566203867.db2.gz RMMGVDNMLHHQFO-LBPRGKRZSA-N 1 0 388.737 2.858 20 0 GFADRO O=C(NCC1CC[NH+](C2CC2)CC1)c1cnc2ncc(Br)cc2c1 ZINC000683576851 566205051 /nfs/dbraw/zinc/20/50/51/566205051.db2.gz PPJSCFCQKWDPMO-UHFFFAOYSA-N 1 0 389.297 2.997 20 0 GFADRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)c2cc[nH]c(=O)c2Br)C1 ZINC000683623463 566206590 /nfs/dbraw/zinc/20/65/90/566206590.db2.gz KQMRFRXPQAFYJU-CQSZACIVSA-N 1 0 390.281 2.896 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@H](CNS(=O)(=O)Cc2ccccc2Br)C1 ZINC000657033544 566208715 /nfs/dbraw/zinc/20/87/15/566208715.db2.gz LYSYOGORHVKKBY-CYBMUJFWSA-N 1 0 389.359 2.989 20 0 GFADRO COc1cc(OC)c(S(=O)(=O)NC[C@H]2CC[N@@H+](C(C)(C)C)C2)cc1Cl ZINC000657034159 566209550 /nfs/dbraw/zinc/20/95/50/566209550.db2.gz QIZMVOAQVOMVPB-GFCCVEGCSA-N 1 0 390.933 2.756 20 0 GFADRO Cn1ncc(Br)c1CNc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000683771452 566213058 /nfs/dbraw/zinc/21/30/58/566213058.db2.gz HPBHSWQULHWKDW-UHFFFAOYSA-N 1 0 379.302 2.751 20 0 GFADRO COc1cc(OC)c(S(=O)(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)cc1Cl ZINC000657062183 566215594 /nfs/dbraw/zinc/21/55/94/566215594.db2.gz QMLVCAUQRORCET-NSHDSACASA-N 1 0 376.906 2.508 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@H](NS(=O)(=O)c2ccc(Br)cc2F)C1 ZINC000657061282 566216198 /nfs/dbraw/zinc/21/61/98/566216198.db2.gz LECTYTPUXDMCMR-NSHDSACASA-N 1 0 379.295 2.739 20 0 GFADRO C[C@@H](Oc1cc(Cl)cc(Cl)c1)C(=O)N1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000683913646 566218398 /nfs/dbraw/zinc/21/83/98/566218398.db2.gz ZCUYXRPKMCKMLC-SJKOYZFVSA-N 1 0 375.296 2.676 20 0 GFADRO C[C@H](Oc1cccc(Cl)c1Cl)C(=O)N1CCC[C@](O)(C[NH+](C)C)C1 ZINC000683914243 566218909 /nfs/dbraw/zinc/21/89/09/566218909.db2.gz UKPUGTSBOFONOI-SJCJKPOMSA-N 1 0 375.296 2.676 20 0 GFADRO C[C@H](CCNS(=O)(=O)Cc1ccc(Br)cc1Cl)[NH+](C)C ZINC000657093096 566221784 /nfs/dbraw/zinc/22/17/84/566221784.db2.gz YJMQPHYBRPHDBG-SNVBAGLBSA-N 1 0 383.739 2.862 20 0 GFADRO C[N@H+](CCN1CCCS1(=O)=O)[C@H](c1ccc(Cl)cc1)C1CCOCC1 ZINC000684005968 566222925 /nfs/dbraw/zinc/22/29/25/566222925.db2.gz FLWVEUSICMUYOX-GOSISDBHSA-N 1 0 386.945 2.775 20 0 GFADRO Cc1nc2ccc(Br)cn2c1C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000684437395 566235583 /nfs/dbraw/zinc/23/55/83/566235583.db2.gz UFNMFFVBTZWBMA-AWEZNQCLSA-N 1 0 377.286 2.619 20 0 GFADRO CC(C)[C@H]([NH2+]Cc1cscc1Cl)C(=O)N(C)Cc1nnc2n1CCC2 ZINC000684413103 566235712 /nfs/dbraw/zinc/23/57/12/566235712.db2.gz PIUMVTYIDICVAU-INIZCTEOSA-N 1 0 381.933 2.712 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(CCOc2cccc(-c3nn[nH]n3)c2)C1 ZINC000736269860 598871195 /nfs/dbraw/zinc/87/11/95/598871195.db2.gz YITZWCYYIRQVAS-QZTJIDSGSA-N 1 0 384.528 2.832 20 0 GFADRO CC(C)(C)CCCNC(=O)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000735602927 598889597 /nfs/dbraw/zinc/88/95/97/598889597.db2.gz RVBNKMISSSTPBN-UHFFFAOYSA-N 1 0 399.543 2.910 20 0 GFADRO C[NH+](C)Cc1c2ccccc2oc1C(=O)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000173179530 598902758 /nfs/dbraw/zinc/90/27/58/598902758.db2.gz ARIJEAHEJANVNW-UHFFFAOYSA-N 1 0 376.420 2.605 20 0 GFADRO O=C(C=Cc1ccccc1-c1nn[nH]n1)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000737804016 598928182 /nfs/dbraw/zinc/92/81/82/598928182.db2.gz XWBTXGFKANWODY-JXOMPUQVSA-N 1 0 388.475 2.661 20 0 GFADRO c1ccc(C[N@@H+]2CCCN(c3c4ccccc4nnc3-c3nn[nH]n3)CC2)cc1 ZINC000738432875 598956808 /nfs/dbraw/zinc/95/68/08/598956808.db2.gz NJLSHHZFMAWLMH-UHFFFAOYSA-N 1 0 386.463 2.522 20 0 GFADRO O=C(OC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc(-c2nn[nH]n2)cc1 ZINC000738218451 598978924 /nfs/dbraw/zinc/97/89/24/598978924.db2.gz FEFSMWWQTHWNLA-QGZVFWFLSA-N 1 0 377.448 2.936 20 0 GFADRO CCOc1ccc(C[N@H+](C)CCOc2ccc(-c3nn[nH]n3)cc2OC)cc1 ZINC000736643468 598980658 /nfs/dbraw/zinc/98/06/58/598980658.db2.gz IVWBWTCBYVREED-UHFFFAOYSA-N 1 0 383.452 2.785 20 0 GFADRO COc1cc(-c2nn[nH]n2)ccc1OCC[NH+]1CCC(OCCC(C)C)CC1 ZINC000737032915 598983492 /nfs/dbraw/zinc/98/34/92/598983492.db2.gz PDWKUKHMUFRNJM-UHFFFAOYSA-N 1 0 389.500 2.781 20 0 GFADRO Clc1ccc(CCC[NH+]2CCN(c3ccc(-c4nn[nH]n4)cn3)CC2)cc1 ZINC000737573874 598983623 /nfs/dbraw/zinc/98/36/23/598983623.db2.gz DMLPXGCHTDBRJA-UHFFFAOYSA-N 1 0 383.887 2.670 20 0 GFADRO C[NH+](C)C(C)(C)CNC(=O)c1cccc(COc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000736753120 599019865 /nfs/dbraw/zinc/01/98/65/599019865.db2.gz FUTUOXRMMQPLOY-UHFFFAOYSA-N 1 0 394.479 2.516 20 0 GFADRO CC(C)(C)c1ccc(CC[NH2+][C@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000735649100 599091124 /nfs/dbraw/zinc/09/11/24/599091124.db2.gz KHOWVWULIZQKGS-SFHVURJKSA-N 1 0 378.480 2.523 20 0 GFADRO NC(=O)[C@H]([NH2+]CC1(c2ccccc2)CCCCC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000737729741 599091822 /nfs/dbraw/zinc/09/18/22/599091822.db2.gz CPRXHYWBHJJMTB-LJQANCHMSA-N 1 0 390.491 2.885 20 0 GFADRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1snc(Cl)c1-c1nn[nH]n1 ZINC000821597940 599106894 /nfs/dbraw/zinc/10/68/94/599106894.db2.gz LUGRQJLKAHKSAL-CYBMUJFWSA-N 1 0 389.916 2.935 20 0 GFADRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ncc(-c2nn[nH]n2)cc1Cl ZINC000821598060 599107007 /nfs/dbraw/zinc/10/70/07/599107007.db2.gz PQKIORZORHEJNB-HNNXBMFYSA-N 1 0 383.887 2.873 20 0 GFADRO Cc1cccc2c1ncc(-c1nn[nH]n1)c2NC[C@H](c1cccs1)[NH+](C)C ZINC000737407467 599121778 /nfs/dbraw/zinc/12/17/78/599121778.db2.gz BOQAOUIMGYDKCP-OAHLLOKOSA-N 1 0 379.493 2.922 20 0 GFADRO Cc1oc(NC(=O)C[N@@H+]2CC[C@@H](Cc3ccccc3)C2)c(-c2nn[nH]n2)c1C ZINC000737552426 599136320 /nfs/dbraw/zinc/13/63/20/599136320.db2.gz PUGUYEPGHLSQRM-INIZCTEOSA-N 1 0 380.452 2.580 20 0 GFADRO C[C@H]1C[N@H+](CC(=O)NCc2ccc(-c3nn[nH]n3)cc2)CC[C@@H]1c1ccccc1 ZINC000736284548 599144777 /nfs/dbraw/zinc/14/47/77/599144777.db2.gz AVVJNEZCPURSNF-JXFKEZNVSA-N 1 0 390.491 2.609 20 0 GFADRO C[C@@H]1C[N@H+](CC(=O)Nc2cccc(-c3nn[nH]n3)c2)CC[C@@H]1c1ccccc1 ZINC000736284587 599147307 /nfs/dbraw/zinc/14/73/07/599147307.db2.gz BLLHOHMJHSMOBU-BEFAXECRSA-N 1 0 376.464 2.931 20 0 GFADRO CC(C)(CCO)C[NH2+]Cc1cccc(OCc2ccccc2-c2nn[nH]n2)c1 ZINC000819981159 599156821 /nfs/dbraw/zinc/15/68/21/599156821.db2.gz NWNNBAQNFAMYNU-UHFFFAOYSA-N 1 0 381.480 2.944 20 0 GFADRO C[C@@H]1C[NH+](CCCNc2ccc(Br)cc2-c2nn[nH]n2)C[C@@H](C)O1 ZINC000736284890 599360843 /nfs/dbraw/zinc/36/08/43/599360843.db2.gz HLRDGYIKDIXEQN-VXGBXAGGSA-N 1 0 395.305 2.540 20 0 GFADRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)Nc2cccc(-c3nn[nH]n3)c2)C1 ZINC000821614466 599247483 /nfs/dbraw/zinc/24/74/83/599247483.db2.gz HPQGFOJWDUKDBJ-GOSISDBHSA-N 1 0 377.452 2.605 20 0 GFADRO Cc1cc(C)c2ncc(-c3nn[nH]n3)c(NC[C@H](c3ccco3)[NH+](C)C)c2c1 ZINC000737248680 599255174 /nfs/dbraw/zinc/25/51/74/599255174.db2.gz JYIXGPASDYQGMP-MRXNPFEDSA-N 1 0 377.452 2.761 20 0 GFADRO Cc1c(NC(=O)NC2CC[NH+](Cc3ccccc3)CC2)cccc1-c1nn[nH]n1 ZINC000822092831 607284374 /nfs/dbraw/zinc/28/43/74/607284374.db2.gz ZXBRCRCIQXCJIW-UHFFFAOYSA-N 1 0 391.479 2.961 20 0 GFADRO CC(C)c1cnc(CN(C)[C@H]2CC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C2)o1 ZINC000735931666 599291602 /nfs/dbraw/zinc/29/16/02/599291602.db2.gz BIGHJYBTDQJJOR-KRWDZBQOSA-N 1 0 381.484 2.684 20 0 GFADRO COc1ccccc1CC[N@H+](C)Cn1ccc(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000737150729 598243713 /nfs/dbraw/zinc/24/37/13/598243713.db2.gz UCVBSLKKFFYGOZ-UHFFFAOYSA-N 1 0 389.463 2.871 20 0 GFADRO Fc1ccccc1SCC[NH+]1CCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000737669447 598253781 /nfs/dbraw/zinc/25/37/81/598253781.db2.gz MSVWTCCHVLEVBR-UHFFFAOYSA-N 1 0 384.484 2.920 20 0 GFADRO C[C@H]([NH2+]Cc1ccc(-c2nn[nH]n2)cc1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000736135807 598274665 /nfs/dbraw/zinc/27/46/65/598274665.db2.gz PXNOKUJNJPGFEH-YOEHRIQHSA-N 1 0 386.500 2.992 20 0 GFADRO C[C@@H]1C[N@@H+](CCCNc2ccc(-c3nn[nH]n3)cc2C(F)(F)F)C[C@H](C)O1 ZINC000736284656 598274701 /nfs/dbraw/zinc/27/47/01/598274701.db2.gz CHHSGHRMQXCLIC-TXEJJXNPSA-N 1 0 384.406 2.797 20 0 GFADRO C[NH+](C)C[C@H](NC(=O)Nc1cc(-c2nn[nH]n2)cn1C(C)(C)C)c1ccccc1 ZINC000736761445 598277109 /nfs/dbraw/zinc/27/71/09/598277109.db2.gz FVGXDSXCCLJABK-INIZCTEOSA-N 1 0 396.499 2.848 20 0 GFADRO C[C@@H](CNC(=O)Nc1cc(-c2nn[nH]n2)cn1C(C)(C)C)[N@@H+]1CCC[C@H](C)C1 ZINC000736267898 598277947 /nfs/dbraw/zinc/27/79/47/598277947.db2.gz UWACJHYLTLTNNY-KBPBESRZSA-N 1 0 388.520 2.665 20 0 GFADRO CC[NH+]1CCC(CNC(=O)Nc2cc(-c3nn[nH]n3)ccc2OC(C)C)CC1 ZINC000736565276 598303400 /nfs/dbraw/zinc/30/34/00/598303400.db2.gz HZURQZCURGLEET-UHFFFAOYSA-N 1 0 387.488 2.507 20 0 GFADRO Fc1cc(-c2nn[nH]n2)ccc1C[NH2+]Cc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000737638272 598315042 /nfs/dbraw/zinc/31/50/42/598315042.db2.gz FLYSPVQKNOOVOS-SFHVURJKSA-N 1 0 383.427 2.853 20 0 GFADRO Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1Cc1cn2ccccc2c1-c1nn[nH]n1 ZINC000737512298 598368992 /nfs/dbraw/zinc/36/89/92/598368992.db2.gz YPPDAGYWAOFJTK-INIZCTEOSA-N 1 0 376.468 2.807 20 0 GFADRO Cc1ccccc1C1CC[NH+](C[C@@H](O)COc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000737425071 598405744 /nfs/dbraw/zinc/40/57/44/598405744.db2.gz YNOLHRKGFBODLM-LJQANCHMSA-N 1 0 393.491 2.794 20 0 GFADRO O=C(CNc1ccc(-c2nn[nH]n2)cc1)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000737896274 598416236 /nfs/dbraw/zinc/41/62/36/598416236.db2.gz VNHUNQKWQPDCOK-UHFFFAOYSA-N 1 0 397.527 2.584 20 0 GFADRO CC(C)OC1CC[NH+](CCC(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)CC1 ZINC000735895283 598428777 /nfs/dbraw/zinc/42/87/77/598428777.db2.gz SUAOWQVKTSAOBI-UHFFFAOYSA-N 1 0 392.891 2.738 20 0 GFADRO CCC[NH+]1CCC(NC(=O)N(Cc2ccc(-c3nn[nH]n3)cc2)CC(C)C)CC1 ZINC000736478681 598428871 /nfs/dbraw/zinc/42/88/71/598428871.db2.gz CKMIXHMPWOZSHB-UHFFFAOYSA-N 1 0 399.543 2.909 20 0 GFADRO C[C@H]1C[C@@H]1c1ccc(C[NH2+]C2CCN(c3ccc(-c4nn[nH]n4)cn3)CC2)o1 ZINC000736237973 598466532 /nfs/dbraw/zinc/46/65/32/598466532.db2.gz QTYKXDXMRJMAGH-GUYCJALGSA-N 1 0 379.468 2.737 20 0 GFADRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000736252971 598482967 /nfs/dbraw/zinc/48/29/67/598482967.db2.gz SIPMMJDLQOIOGX-VXGBXAGGSA-N 1 0 377.880 2.905 20 0 GFADRO O=C(N[C@H]1CC[N@H+](CC2CC2)C1)c1ccccc1-c1ccccc1-c1nn[nH]n1 ZINC000738026572 598497975 /nfs/dbraw/zinc/49/79/75/598497975.db2.gz UMNXDBYOOUSCAU-INIZCTEOSA-N 1 0 388.475 2.748 20 0 GFADRO C[C@@H](CNC(=O)c1ccccc1-c1ccccc1-c1nn[nH]n1)[N@H+](C)C1CC1 ZINC000736025206 598502053 /nfs/dbraw/zinc/50/20/53/598502053.db2.gz CIEHHGWEGDXUJK-AWEZNQCLSA-N 1 0 376.464 2.746 20 0 GFADRO CC[C@@H](C)[N@H+](C)CC(=O)Nc1c(-c2nn[nH]n2)c(C)c(C)n1Cc1ccco1 ZINC000736321317 598507766 /nfs/dbraw/zinc/50/77/66/598507766.db2.gz BAPZNFZBMRPVTQ-GFCCVEGCSA-N 1 0 385.472 2.595 20 0 GFADRO Cc1cc(N2CCC[C@H]([NH+](C)C)C2)n2c3ccccc3nc2c1-c1nn[nH]n1 ZINC000737271163 598521571 /nfs/dbraw/zinc/52/15/71/598521571.db2.gz JXDAHTXDSVPCCD-AWEZNQCLSA-N 1 0 376.468 2.506 20 0 GFADRO c1nn2c(c1-c1nn[nH]n1)NC[C@@H](C[NH2+]CC1CCC(c3ccccc3)CC1)C2 ZINC000738428232 598532978 /nfs/dbraw/zinc/53/29/78/598532978.db2.gz MSIIPMOWKNEBEQ-UPTPFMHGSA-N 1 0 392.511 2.669 20 0 GFADRO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)N[C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000736457360 598540405 /nfs/dbraw/zinc/54/04/05/598540405.db2.gz ODMJPWKDSMVGPZ-QAPCUYQASA-N 1 0 385.516 2.882 20 0 GFADRO C[C@@H](C(=O)N(CC[NH+](C)C)Cc1ccc(-c2nn[nH]n2)cc1)c1ccccc1F ZINC000735512482 598552888 /nfs/dbraw/zinc/55/28/88/598552888.db2.gz KOIJVBAKCVAORG-OAHLLOKOSA-N 1 0 396.470 2.700 20 0 GFADRO CC[NH+](CC)Cc1ccccc1CNc1nc2ccccn2c1-c1nn[nH]n1 ZINC000736533353 598566085 /nfs/dbraw/zinc/56/60/85/598566085.db2.gz ZUBXYVGQZZQZPM-UHFFFAOYSA-N 1 0 376.468 2.968 20 0 GFADRO O=C(CCc1ccc(-c2nn[nH]n2)cc1)NC[C@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000737853241 598570467 /nfs/dbraw/zinc/57/04/67/598570467.db2.gz RIJPPWOJCYBRKA-HXUWFJFHSA-N 1 0 396.539 2.960 20 0 GFADRO C[C@H]([NH2+]C1(CNC(=O)c2ccc(-c3nn[nH]n3)cn2)CCCC1)c1ccccc1 ZINC000736135898 598613229 /nfs/dbraw/zinc/61/32/29/598613229.db2.gz YXYRFTGLSMLHIA-HNNXBMFYSA-N 1 0 391.479 2.655 20 0 GFADRO c1nn2cc(C[NH2+][C@H]3CCCC[C@@H]3Cc3ccccc3)cnc2c1-c1nn[nH]n1 ZINC000738427489 598618378 /nfs/dbraw/zinc/61/83/78/598618378.db2.gz IOSIDQHBAMODLZ-MJGOQNOKSA-N 1 0 388.479 2.801 20 0 GFADRO CCc1ccc([C@@H](CNC(=O)Nc2ccc(F)c(-c3nn[nH]n3)c2)[NH+](C)C)cc1 ZINC000736690271 598624645 /nfs/dbraw/zinc/62/46/45/598624645.db2.gz ZGTBLDWZMBDZRW-GOSISDBHSA-N 1 0 397.458 2.993 20 0 GFADRO Clc1ccc(-c2nn[nH]n2)c(N2CC[NH+](CCOc3ccccc3)CC2)c1 ZINC000737571112 598630571 /nfs/dbraw/zinc/63/05/71/598630571.db2.gz SBAWKLSPSURAAW-UHFFFAOYSA-N 1 0 384.871 2.721 20 0 GFADRO C[NH+](C)C(C)(C)CNC(=O)c1cccc(Oc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000736760100 598663239 /nfs/dbraw/zinc/66/32/39/598663239.db2.gz PFQVSUJMGMPBNF-UHFFFAOYSA-N 1 0 380.452 2.729 20 0 GFADRO C[C@H](CNC(=O)C=Cc1ccccc1-c1nn[nH]n1)[N@H+](C)Cc1ccccc1 ZINC000736008120 598666308 /nfs/dbraw/zinc/66/63/08/598666308.db2.gz GSCCPGQBPBHASQ-BFFYNSAMSA-N 1 0 376.464 2.517 20 0 GFADRO C[C@H]1CCC[C@@](CNC(=O)CSc2ccc(-c3nn[nH]n3)cc2)([NH+](C)C)C1 ZINC000736247530 598666449 /nfs/dbraw/zinc/66/64/49/598666449.db2.gz FMTQLWGUCINODA-IFXJQAMLSA-N 1 0 388.541 2.586 20 0 GFADRO Clc1cc(-c2nn[nH]n2)cnc1NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000737559446 598674903 /nfs/dbraw/zinc/67/49/03/598674903.db2.gz YAGUGQDMYOOBDX-HNNXBMFYSA-N 1 0 383.887 2.892 20 0 GFADRO Clc1nsc(NC[C@H]2CC[N@H+](CCc3ccccc3)C2)c1-c1nn[nH]n1 ZINC000737585012 598675434 /nfs/dbraw/zinc/67/54/34/598675434.db2.gz WOJQWBSQEMCRLN-CYBMUJFWSA-N 1 0 389.916 2.953 20 0 GFADRO O=C(Nc1ccc(-c2nn[nH]n2)cc1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000738150934 598698268 /nfs/dbraw/zinc/69/82/68/598698268.db2.gz DIPPWWKQIINPGX-INIZCTEOSA-N 1 0 383.500 2.987 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)c1cccc(Oc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000738026437 598701183 /nfs/dbraw/zinc/70/11/83/598701183.db2.gz SNLAKYPYYIUJHU-MRXNPFEDSA-N 1 0 390.447 2.626 20 0 GFADRO CCc1nc(CN2CCC(C[NH2+]Cc3ccc(-c4nn[nH]n4)cc3)CC2)cs1 ZINC000736704282 598713870 /nfs/dbraw/zinc/71/38/70/598713870.db2.gz LFNBHPNXNXMMHD-UHFFFAOYSA-N 1 0 397.552 2.887 20 0 GFADRO CC(C)N(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)NCCC1CC[NH+](C)CC1 ZINC000735874461 598726656 /nfs/dbraw/zinc/72/66/56/598726656.db2.gz IPSAPAHPZHPOPH-UHFFFAOYSA-N 1 0 385.516 2.519 20 0 GFADRO CC(C)(C)OC(=O)NC1CC[NH+](Cc2cn3ccccc3c2-c2nn[nH]n2)CC1 ZINC000735632931 598758001 /nfs/dbraw/zinc/75/80/01/598758001.db2.gz IVBYYWDRTMPLHI-UHFFFAOYSA-N 1 0 397.483 2.609 20 0 GFADRO O[C@@H](C[NH+]1CCC(Oc2ccc(-c3nn[nH]n3)cc2)CC1)c1ccccc1F ZINC000738379746 598765708 /nfs/dbraw/zinc/76/57/08/598765708.db2.gz CGTZBYUDZZMFLG-IBGZPJMESA-N 1 0 383.427 2.583 20 0 GFADRO CC(C)[C@@](C)(O)C[NH2+]Cc1cccc(OCc2ccccc2-c2nn[nH]n2)c1 ZINC000735691901 598776119 /nfs/dbraw/zinc/77/61/19/598776119.db2.gz GBWPUWCGFFXTKL-NRFANRHFSA-N 1 0 381.480 2.942 20 0 GFADRO C[C@H](C(=O)Nc1ccccc1-c1nn[nH]n1)N1CCC[C@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000735564944 598809255 /nfs/dbraw/zinc/80/92/55/598809255.db2.gz ZOIYBHGSQAMAIW-TWMKSMIVSA-N 1 0 397.527 2.531 20 0 GFADRO O=C(Nc1ccc(-c2nn[nH]n2)c(C(F)(F)F)c1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000823303474 599292908 /nfs/dbraw/zinc/29/29/08/599292908.db2.gz JPHIKVWFUZFXKG-GFCCVEGCSA-N 1 0 395.389 2.588 20 0 GFADRO CC(C)c1cc(NC(=O)N(CC[NH+](C)C)Cc2ccc(-c3nn[nH]n3)cc2)no1 ZINC000820187778 599293809 /nfs/dbraw/zinc/29/38/09/599293809.db2.gz QRPBTZYAMSVAQK-UHFFFAOYSA-N 1 0 398.471 2.574 20 0 GFADRO C[C@@H]1CN(C(=O)c2cccc(Oc3ccc(-c4nn[nH]n4)cc3)c2)C[C@@H]1[NH+](C)C ZINC000736292625 599295903 /nfs/dbraw/zinc/29/59/03/599295903.db2.gz PORVZUSAUBUMFT-KUHUBIRLSA-N 1 0 392.463 2.681 20 0 GFADRO C[C@@H](CNC(=O)Nc1ccc(Oc2ccccc2-c2nn[nH]n2)c(F)c1)[NH+](C)C ZINC000820270145 599296737 /nfs/dbraw/zinc/29/67/37/599296737.db2.gz WDSMVJJGPVITGY-LBPRGKRZSA-N 1 0 399.430 2.870 20 0 GFADRO C[C@@H]([NH2+]Cc1ccc(Cn2ccccc2=O)cc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000820431585 599371770 /nfs/dbraw/zinc/37/17/70/599371770.db2.gz GTXRCIOLJUYCIB-MRXNPFEDSA-N 1 0 386.459 2.928 20 0 GFADRO COc1ccc(CC[NH2+][C@@H](C)c2ccc(-c3nn[nH]n3)cc2)c(OC)c1OC ZINC000821789821 599373695 /nfs/dbraw/zinc/37/36/95/599373695.db2.gz AFGWDOCVTYUXFN-ZDUSSCGKSA-N 1 0 383.452 2.786 20 0 GFADRO CCO[C@@H]1C[C@H]([NH2+][C@H](C)C(=O)Nc2ccccc2-c2nn[nH]n2)C12CCCC2 ZINC000821360837 599387593 /nfs/dbraw/zinc/38/75/93/599387593.db2.gz SPXFGFKPYQNYJB-XOKHGSTOSA-N 1 0 384.484 2.521 20 0 GFADRO COc1ccc(C[NH2+][C@H](C)c2ccc3c(c2)CCC(=O)N3)cc1-c1nn[nH]n1 ZINC000821804314 599406481 /nfs/dbraw/zinc/40/64/81/599406481.db2.gz LJGPLORTPZJXRH-GFCCVEGCSA-N 1 0 378.436 2.611 20 0 GFADRO C[C@@H](NC(=O)NCCCC[N@@H+]1CCCC[C@@H]1C)c1cccc(-c2nn[nH]n2)c1 ZINC000820367925 599416489 /nfs/dbraw/zinc/41/64/89/599416489.db2.gz VRIIPLHXGJFCLY-JKSUJKDBSA-N 1 0 385.516 2.882 20 0 GFADRO C[C@@H](NC(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1)c1cccc(-c2nn[nH]n2)c1 ZINC000820709302 599417684 /nfs/dbraw/zinc/41/76/84/599417684.db2.gz GYBJJLHCRWXLBV-HZPDHXFCSA-N 1 0 385.516 2.739 20 0 GFADRO C[C@H](NC(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1)c1cccc(-c2nn[nH]n2)c1 ZINC000820709735 599422422 /nfs/dbraw/zinc/42/24/22/599422422.db2.gz LMQFINPMQRAWQD-GJZGRUSLSA-N 1 0 385.516 2.737 20 0 GFADRO Cc1ccc([C@@H](CNC(=O)N[C@H](C)c2cccc(-c3nn[nH]n3)c2)[NH+](C)C)cc1 ZINC000822230516 599437488 /nfs/dbraw/zinc/43/74/88/599437488.db2.gz JBRYDWRKFZVZIP-DNVCBOLYSA-N 1 0 393.495 2.838 20 0 GFADRO COc1cc(C[NH2+]Cc2ccc(OC)c(-c3nn[nH]n3)c2)c2ccccc2n1 ZINC000821716907 599454279 /nfs/dbraw/zinc/45/42/79/599454279.db2.gz GRIMDZHJZUFLSG-UHFFFAOYSA-N 1 0 376.420 2.722 20 0 GFADRO C[C@H](Cc1ccc(Cl)cc1)[N@H+](C)CC(=O)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000736057535 599474473 /nfs/dbraw/zinc/47/44/73/599474473.db2.gz WWASQKZOWPBNHI-CQSZACIVSA-N 1 0 398.898 2.699 20 0 GFADRO CCCOCc1ccccc1C[NH2+]Cc1cnc2ccc(-c3nn[nH]n3)cn12 ZINC000736487746 599484357 /nfs/dbraw/zinc/48/43/57/599484357.db2.gz IVVZHXDTNGPQMN-UHFFFAOYSA-N 1 0 377.452 2.731 20 0 GFADRO Clc1ccc(C2(C[NH2+]Cc3cnc4ccc(-c5nn[nH]n5)cn34)CC2)cc1 ZINC000737571231 599489117 /nfs/dbraw/zinc/48/91/17/599489117.db2.gz XIQJXGQAGAQVIN-UHFFFAOYSA-N 1 0 379.855 2.989 20 0 GFADRO C[C@@H](NC(=O)c1ccc(C[NH+]2CCCC2)cc1)c1cccc(-c2nn[nH]n2)c1 ZINC000820397091 599512698 /nfs/dbraw/zinc/51/26/98/599512698.db2.gz LREYXOONBAJALN-OAHLLOKOSA-N 1 0 376.464 2.954 20 0 GFADRO O[C@@H](C[NH+]1CCC(CNc2ccc(-c3nn[nH]n3)cc2F)CC1)c1ccccc1 ZINC000823674869 599536668 /nfs/dbraw/zinc/53/66/68/599536668.db2.gz SOMFLWOYORKJEG-FQEVSTJZSA-N 1 0 396.470 2.863 20 0 GFADRO C[C@@H](C(=O)N(CC[NH+](C)C)Cc1ccc(-c2nn[nH]n2)cc1)c1ccsc1 ZINC000735511830 599541225 /nfs/dbraw/zinc/54/12/25/599541225.db2.gz HNMMAUNDKLREAS-CQSZACIVSA-N 1 0 384.509 2.622 20 0 GFADRO c1cc(-c2nn[nH]n2)cc(-c2nnc(C[N@@H+](C[C@H]3CCCO3)C3CCCC3)o2)c1 ZINC000823738015 599581351 /nfs/dbraw/zinc/58/13/51/599581351.db2.gz NAGRDDNYKKIJBJ-QGZVFWFLSA-N 1 0 395.467 2.840 20 0 GFADRO COc1ccccc1[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2cccc(-c3nn[nH]n3)c2)C1 ZINC000737145029 599592782 /nfs/dbraw/zinc/59/27/82/599592782.db2.gz APKMRCWDXNZTIJ-GDBMZVCRSA-N 1 0 392.463 2.692 20 0 GFADRO COc1ccc(C[NH2+][C@@H](C)[C@H](O)c2c(F)cccc2Cl)cc1-c1nn[nH]n1 ZINC000821798869 599646856 /nfs/dbraw/zinc/64/68/56/599646856.db2.gz RACUEQDFSNPJPJ-BTDLBPIBSA-N 1 0 391.834 2.880 20 0 GFADRO CC(C)Oc1ccc(NC(=O)NCC[N@H+](C)C2CCCC2)cc1-c1nn[nH]n1 ZINC000820168829 607425890 /nfs/dbraw/zinc/42/58/90/607425890.db2.gz BQFVOWHQEKTROB-UHFFFAOYSA-N 1 0 387.488 2.650 20 0 GFADRO CC(C)Oc1ccc(NC(=O)NC[C@@H](C)[NH+]2CCCCC2)cc1-c1nn[nH]n1 ZINC000820169639 607426179 /nfs/dbraw/zinc/42/61/79/607426179.db2.gz LJLRXWCKPXJABI-CQSZACIVSA-N 1 0 387.488 2.650 20 0 GFADRO CC(C)Oc1ccc(NC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cc1-c1nn[nH]n1 ZINC000820165293 607432648 /nfs/dbraw/zinc/43/26/48/607432648.db2.gz OOWOEAQUENACKO-PBHICJAKSA-N 1 0 399.499 2.602 20 0 GFADRO CC(C)Oc1ccc(NC(=O)N2CCC[C@H]([NH+]3CCCC3)C2)cc1-c1nn[nH]n1 ZINC000820165859 607433023 /nfs/dbraw/zinc/43/30/23/607433023.db2.gz QWCKFCRMEVNKIQ-INIZCTEOSA-N 1 0 399.499 2.746 20 0 GFADRO CC(C)Oc1ccc(NC(=O)N[C@H](C)C[NH+]2CCCCC2)cc1-c1nn[nH]n1 ZINC000820259658 607433632 /nfs/dbraw/zinc/43/36/32/607433632.db2.gz ATUOGKCVIMXNJV-CQSZACIVSA-N 1 0 387.488 2.650 20 0 GFADRO CS[C@@H]1CCCC[N@H+](CC(=O)Nc2sc(C)c(C)c2-c2nn[nH]n2)C1 ZINC000826227755 607475667 /nfs/dbraw/zinc/47/56/67/607475667.db2.gz XFOOTLRZHUAUCK-GFCCVEGCSA-N 1 0 380.543 2.701 20 0 GFADRO C[NH+](C)CCOc1ccccc1N1CC[NH+](Cc2cccc(C(=O)[O-])c2)CC1 ZINC000263502964 601011192 /nfs/dbraw/zinc/01/11/92/601011192.db2.gz WDBBOKHARNZEOR-UHFFFAOYSA-N 1 0 383.492 2.647 20 0 GFADRO C[NH+](C)CCC(=O)Nc1ccc(NCc2ccc(-c3nn[nH]n3)cc2F)cc1 ZINC000821584361 607488402 /nfs/dbraw/zinc/48/84/02/607488402.db2.gz AADNSPDYEPZSIG-UHFFFAOYSA-N 1 0 383.431 2.508 20 0 GFADRO COc1ccc(-c2nn[nH]n2)cc1C[N@H+](C)[C@H](C)c1ccc(-n2cncn2)cc1 ZINC000826181882 607515851 /nfs/dbraw/zinc/51/58/51/607515851.db2.gz QXVXHBPJXBPBBC-CQSZACIVSA-N 1 0 390.451 2.649 20 0 GFADRO CCOC(=O)CCC1CC[NH+](Cc2cn3ccccc3c2-c2nn[nH]n2)CC1 ZINC000825506073 607526502 /nfs/dbraw/zinc/52/65/02/607526502.db2.gz DFXMNGPSFWWXDA-UHFFFAOYSA-N 1 0 382.468 2.675 20 0 GFADRO Cc1cc(-c2nn[nH]n2)ccc1C(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000826245428 607689335 /nfs/dbraw/zinc/68/93/35/607689335.db2.gz XQUFMJUFJXNUFY-IRXDYDNUSA-N 1 0 382.512 2.902 20 0 GFADRO CCc1cc(N2CCN(c3cc(-c4nn[nH]n4)ccn3)CC2)c2ccccc2[nH+]1 ZINC000825700414 607721527 /nfs/dbraw/zinc/72/15/27/607721527.db2.gz FCDVPFCWPFYHMM-UHFFFAOYSA-N 1 0 386.463 2.699 20 0 GFADRO O=C([O-])NC[C@@H]1CCCC[C@H]1[NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1 ZINC000834222678 605623516 /nfs/dbraw/zinc/62/35/16/605623516.db2.gz PFPZONYGLBBSBG-FXAWDEMLSA-N 1 0 375.513 2.559 20 0 GFADRO C[C@@H](CCNC(=O)C=Cc1ccccc1-c1nn[nH]n1)[N@H+](C)Cc1ccccc1 ZINC000820241636 606103041 /nfs/dbraw/zinc/10/30/41/606103041.db2.gz IMEKHEBGWUHBTA-QOHRORDFSA-N 1 0 390.491 2.907 20 0 GFADRO C[C@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000820721792 606110756 /nfs/dbraw/zinc/11/07/56/606110756.db2.gz BKFVHRCGPFTXNY-KRWDZBQOSA-N 1 0 390.491 2.532 20 0 GFADRO C[C@@H]1[C@H](Cc2ccccc2)CC[N@@H+]1CC(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000820643244 606112168 /nfs/dbraw/zinc/11/21/68/606112168.db2.gz SLUCXBUKNWNJNM-WBVHZDCISA-N 1 0 376.464 2.758 20 0 GFADRO C[C@H]1[C@H](Cc2ccccc2)CC[N@@H+]1CC(=O)Nc1sccc1-c1nn[nH]n1 ZINC000820643276 606112316 /nfs/dbraw/zinc/11/23/16/606112316.db2.gz SUXNGXMMWRNMAT-ZFWWWQNUSA-N 1 0 382.493 2.820 20 0 GFADRO C[C@H](C(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2)[NH+]1C[C@H]2CCCC[C@@H]2C1 ZINC000819876940 606115407 /nfs/dbraw/zinc/11/54/07/606115407.db2.gz KPWCTRRIHOVMIX-JHJVBQTASA-N 1 0 386.525 2.866 20 0 GFADRO CC1(C)CCC[C@H]1NC(=O)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000820590291 606130056 /nfs/dbraw/zinc/13/00/56/606130056.db2.gz RMASDGQYTYGSSG-GOSISDBHSA-N 1 0 397.527 2.663 20 0 GFADRO C[C@H](c1ccc([S@@](C)=O)cc1)[N@H+](C)CCOc1cccc(-c2nn[nH]n2)c1 ZINC000820563303 606159292 /nfs/dbraw/zinc/15/92/92/606159292.db2.gz PVWHYRCQUQWOJA-LOKFHWFJSA-N 1 0 385.493 2.676 20 0 GFADRO O=S(=O)(CC[N@@H+]1CCC[C@H]1C1CCCCC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823561558 606186297 /nfs/dbraw/zinc/18/62/97/606186297.db2.gz FIRNVRBUAZAKLX-SFHVURJKSA-N 1 0 389.525 2.685 20 0 GFADRO COc1ccc(C[NH2+]Cc2cc(-c3nn[nH]n3)cs2)cc1Br ZINC000821813981 606215981 /nfs/dbraw/zinc/21/59/81/606215981.db2.gz QWRVZGKKZBIDQV-UHFFFAOYSA-N 1 0 380.271 2.989 20 0 GFADRO CC(C)(C)OC(=O)NC[C@H]1CCC[C@H]1[NH2+]Cc1cc(-c2nn[nH]n2)cs1 ZINC000819939382 606222489 /nfs/dbraw/zinc/22/24/89/606222489.db2.gz AKMQJOWNZYTQER-BXUZGUMPSA-N 1 0 378.502 2.711 20 0 GFADRO O=C(NCc1cccc(C[NH+]2CCCCCC2)c1)c1cc(-c2nn[nH]n2)c[nH]1 ZINC000823257116 606265704 /nfs/dbraw/zinc/26/57/04/606265704.db2.gz APQSIUFZJAYFHQ-UHFFFAOYSA-N 1 0 379.468 2.501 20 0 GFADRO C[NH+](C)[C@@H]1CCN(C(=O)c2ccc(Sc3ccccc3-c3nn[nH]n3)cc2)C1 ZINC000821583119 606269879 /nfs/dbraw/zinc/26/98/79/606269879.db2.gz JCCLVSSXOIVVII-OAHLLOKOSA-N 1 0 394.504 2.794 20 0 GFADRO CCCCN(C(=O)c1cc(-c2nn[nH]n2)cn1C)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000821062166 606286026 /nfs/dbraw/zinc/28/60/26/606286026.db2.gz UXZZSORWVBYPEU-UHFFFAOYSA-N 1 0 387.532 2.757 20 0 GFADRO C[C@H]([NH2+][C@H]1CCN(c2sccc2-c2nn[nH]n2)C1=O)c1ccc(F)c(F)c1 ZINC000820420455 606297721 /nfs/dbraw/zinc/29/77/21/606297721.db2.gz RHPVYSVAPLXMRY-XPTSAGLGSA-N 1 0 390.419 2.663 20 0 GFADRO O=C1[C@@H]([N@@H+]2CCC[C@]3(CC=CCC3)C2)CCN1c1sccc1-c1nn[nH]n1 ZINC000823503781 606323939 /nfs/dbraw/zinc/32/39/39/606323939.db2.gz ISSLATPUANUWHN-HNAYVOBHSA-N 1 0 384.509 2.856 20 0 GFADRO CC[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)N[C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000821000984 606343043 /nfs/dbraw/zinc/34/30/43/606343043.db2.gz NVVYBAKDVGWXBC-OLMNPRSZSA-N 1 0 383.500 2.586 20 0 GFADRO O=C(Nc1ccc(C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)cc1)c1ccncc1 ZINC000823323084 606415049 /nfs/dbraw/zinc/41/50/49/606415049.db2.gz AOIFJHLYXSXDIY-UHFFFAOYSA-N 1 0 391.460 2.865 20 0 GFADRO C[C@@H](O)C[N@H+](Cc1ccc(-c2nn[nH]n2)cc1OC(F)F)C1CCCCC1 ZINC000820480562 606488353 /nfs/dbraw/zinc/48/83/53/606488353.db2.gz MAZKGFYXPKZBND-GFCCVEGCSA-N 1 0 381.427 2.984 20 0 GFADRO C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)c1cc(-c2nn[nH]n2)cs1 ZINC000821586487 606511154 /nfs/dbraw/zinc/51/11/54/606511154.db2.gz ZUOSYOHUWKQHJU-UHFFFAOYSA-N 1 0 390.900 2.786 20 0 GFADRO CC[NH+](CC)[C@@H](CNC(=O)c1ccc(-c2nn[nH]n2)s1)c1ccsc1 ZINC000821180836 606526417 /nfs/dbraw/zinc/52/64/17/606526417.db2.gz HTEWPGJXTYXEJN-LBPRGKRZSA-N 1 0 376.511 2.803 20 0 GFADRO O=C(Cc1cccc(-c2nn[nH]n2)c1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000823087057 606551069 /nfs/dbraw/zinc/55/10/69/606551069.db2.gz DXMVJPJJWIWWNZ-SFHVURJKSA-N 1 0 382.512 2.524 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)c1ccc(-c2nn[nH]n2)s1)c1ccc(Cl)cc1 ZINC000821580071 606580656 /nfs/dbraw/zinc/58/06/56/606580656.db2.gz YGQKCQHZZGWVEC-LBPRGKRZSA-N 1 0 376.873 2.614 20 0 GFADRO CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)C1(CC)CC ZINC000821358490 606621374 /nfs/dbraw/zinc/62/13/74/606621374.db2.gz JFQFCYNHFBFGBE-FGTMMUONSA-N 1 0 398.511 2.545 20 0 GFADRO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000823154497 606661462 /nfs/dbraw/zinc/66/14/62/606661462.db2.gz DAIKFTRERFOQNW-UHFFFAOYSA-N 1 0 398.417 2.539 20 0 GFADRO Cc1ccc(C[NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)c(OCC2CC2)c1 ZINC000822238444 606726425 /nfs/dbraw/zinc/72/64/25/606726425.db2.gz ICDMANHSCIYEHI-UHFFFAOYSA-N 1 0 389.463 2.901 20 0 GFADRO CC(C)(C)OC(=O)N1CCC(C[NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)CC1 ZINC000819933556 606739974 /nfs/dbraw/zinc/73/99/74/606739974.db2.gz VVRDEIWUSHOLCX-UHFFFAOYSA-N 1 0 390.463 2.743 20 0 GFADRO C[C@@H]1CCc2c(sc(NC(=O)CC[N@@H+]3C[C@H]4CCC[C@@H]43)c2-c2nn[nH]n2)C1 ZINC000820727079 606750177 /nfs/dbraw/zinc/75/01/77/606750177.db2.gz GLQXBVINAOZUIM-BZPMIXESSA-N 1 0 386.525 2.866 20 0 GFADRO Cc1ccc(C)c([C@@H]2CCC[N@@H+]2CC(=O)NCc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000822230973 606795786 /nfs/dbraw/zinc/79/57/86/606795786.db2.gz WPKHHPTYZGBUNR-FQEVSTJZSA-N 1 0 390.491 2.937 20 0 GFADRO CC[C@H]1CCC[C@H]1NC(=O)N(CC[NH+](C)C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000820973393 606837709 /nfs/dbraw/zinc/83/77/09/606837709.db2.gz WTNIPOWLOSRZOJ-FUHWJXTLSA-N 1 0 385.516 2.519 20 0 GFADRO C[N@@H+](Cc1ccc(OC(F)(F)F)cc1)C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821611187 606850616 /nfs/dbraw/zinc/85/06/16/606850616.db2.gz UYYHZNOVEBKARD-MRXNPFEDSA-N 1 0 393.369 2.931 20 0 GFADRO CC[C@H](C)C(=O)Nc1cccc(C[NH2+]C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)c1 ZINC000820864335 606854019 /nfs/dbraw/zinc/85/40/19/606854019.db2.gz XYLVKBTXKNIKKH-LIRRHRJNSA-N 1 0 394.479 2.675 20 0 GFADRO Cc1ccccc1C1(C[NH2+]C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)CCOCC1 ZINC000822352173 606857770 /nfs/dbraw/zinc/85/77/70/606857770.db2.gz VTBSOMNFBRQJDE-FQEVSTJZSA-N 1 0 393.491 2.547 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)Nc2cccc(-c3nn[nH]n3)c2)C[N@@H+]1Cc1ccccc1 ZINC000820657902 606870777 /nfs/dbraw/zinc/87/07/77/606870777.db2.gz NCUCMOYICNECIC-RDTXWAMCSA-N 1 0 377.452 2.651 20 0 GFADRO Clc1ccc(N2CC[NH+](CCCOc3cccc(-c4nn[nH]n4)c3)CC2)nc1 ZINC000822578411 606888593 /nfs/dbraw/zinc/88/85/93/606888593.db2.gz IWTZJIZXLOEEFL-UHFFFAOYSA-N 1 0 399.886 2.506 20 0 GFADRO C[C@@H]1CO[C@H](c2ccccc2)[C@H](C)[N@@H+]1C[C@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000820804307 606897207 /nfs/dbraw/zinc/89/72/07/606897207.db2.gz QAOZFHXRINFBPQ-QBTDHISASA-N 1 0 379.464 2.751 20 0 GFADRO CCCCCCNC(=O)[C@H]1CCC[N@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC000821056103 606965749 /nfs/dbraw/zinc/96/57/49/606965749.db2.gz KRFLFDYVPKGZOR-INIZCTEOSA-N 1 0 388.491 2.914 20 0 GFADRO C[N@@H+]1CCC[C@@H]2CN(c3c(-c4nn[nH]n4)cnc4c(F)cc(F)cc43)CC[C@H]21 ZINC000821625919 607031010 /nfs/dbraw/zinc/03/10/10/607031010.db2.gz YLXRQKLQNDBSBY-BDJLRTHQSA-N 1 0 385.422 2.614 20 0 GFADRO C[C@@H]([NH2+]C1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1)c1cccnc1Cl ZINC000820420171 607046623 /nfs/dbraw/zinc/04/66/23/607046623.db2.gz NKHCZGUYOMHHAT-GFCCVEGCSA-N 1 0 384.875 2.630 20 0 GFADRO COc1ccc([C@H](C)[NH2+]C2CCN(c3ccc(-c4nn[nH]n4)cn3)CC2)cc1 ZINC000821778424 607048309 /nfs/dbraw/zinc/04/83/09/607048309.db2.gz ZXDGYJIPKLMADX-AWEZNQCLSA-N 1 0 379.468 2.590 20 0 GFADRO C[N@H+](Cc1ccc(OCC(F)(F)F)nc1)Cc1cccc(-c2nn[nH]n2)c1 ZINC000821611072 607068407 /nfs/dbraw/zinc/06/84/07/607068407.db2.gz PPOGUSLWWZNUIP-UHFFFAOYSA-N 1 0 378.358 2.835 20 0 GFADRO CC[NH+](CC)[C@@H](C(=O)Nc1cc(-c2nn[nH]n2)ccc1OC)c1ccccc1 ZINC000821175906 607087093 /nfs/dbraw/zinc/08/70/93/607087093.db2.gz ZEGXMYJFQQZHJJ-GOSISDBHSA-N 1 0 380.452 2.897 20 0 GFADRO CCCC1(CNC(=O)N(CC[NH+](C)C)Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000821034519 607145110 /nfs/dbraw/zinc/14/51/10/607145110.db2.gz OBIOXMKFSNFTQP-UHFFFAOYSA-N 1 0 385.516 2.520 20 0 GFADRO Fc1ccc2c(c1)[C@H]([NH+]1CCN(c3cc(-c4nn[nH]n4)ccn3)CC1)CCC2 ZINC000826376103 607794987 /nfs/dbraw/zinc/79/49/87/607794987.db2.gz OVRVQHMFMMKVSF-GOSISDBHSA-N 1 0 379.443 2.600 20 0 GFADRO C[C@@H]1C[C@H](CCNC(=O)c2cc(-c3nn[nH]n3)cs2)C[N@@H+]1Cc1ccccc1 ZINC000824877234 607795708 /nfs/dbraw/zinc/79/57/08/607795708.db2.gz XHADJJHAFUCFDV-ZBFHGGJFSA-N 1 0 396.520 2.959 20 0 GFADRO C[C@H]1C[C@@H](CCNC(=O)c2sccc2-c2nn[nH]n2)C[N@@H+]1Cc1ccccc1 ZINC000824885366 607802886 /nfs/dbraw/zinc/80/28/86/607802886.db2.gz SILJKZCIZUDHKS-GOEBONIOSA-N 1 0 396.520 2.959 20 0 GFADRO CC[C@@H](C)[C@H](C)[N@H+](CCS(=O)(=O)c1cccc(-c2nn[nH]n2)c1)C1CC1 ZINC000825059632 607827983 /nfs/dbraw/zinc/82/79/83/607827983.db2.gz HZRNPSRMNZDGDL-KGLIPLIRSA-N 1 0 377.514 2.539 20 0 GFADRO C[N@@H+]1CC[C@H](NC(=S)Nc2ccccc2-c2nn[nH]n2)[C@H]1c1ccccc1 ZINC000826029793 607968043 /nfs/dbraw/zinc/96/80/43/607968043.db2.gz WUYXBAWVGJQFSB-DLBZAZTESA-N 1 0 379.493 2.599 20 0 GFADRO C[C@H](CCSc1ccccc1)[N@H+](C)CCCc1[nH]nc(N)c1-c1nn[nH]n1 ZINC000824406219 608035358 /nfs/dbraw/zinc/03/53/58/608035358.db2.gz GDNKSCIXTRLUKQ-CYBMUJFWSA-N 1 0 386.529 2.607 20 0 GFADRO C[NH+]1CCC([C@H]2CCN(c3ccc(-c4nn[nH]n4)cc3Br)C2)CC1 ZINC000826021942 608051340 /nfs/dbraw/zinc/05/13/40/608051340.db2.gz FZZZCOBVCSKPKB-AWEZNQCLSA-N 1 0 391.317 2.797 20 0 GFADRO CC(C)[NH+](CCS[C@@H]1CCN(c2sccc2-c2nn[nH]n2)C1=O)C(C)C ZINC000824293592 608077712 /nfs/dbraw/zinc/07/77/12/608077712.db2.gz SOZRWYBSVFEOIU-CQSZACIVSA-N 1 0 394.570 2.886 20 0 GFADRO CC(C)c1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CNc3c(-c4nn[nH]n4)cnn3C1)CCC2 ZINC000824347451 608101460 /nfs/dbraw/zinc/10/14/60/608101460.db2.gz AYYBODAKEVAKIA-AUUYWEPGSA-N 1 0 392.511 2.896 20 0 GFADRO C[N@H+](Cc1cccc(-c2nn[nH]n2)c1)[C@@H]1CCCN(c2ccccc2F)C1=O ZINC000825976471 608122141 /nfs/dbraw/zinc/12/21/41/608122141.db2.gz KIUYZGHCMOPRDY-GOSISDBHSA-N 1 0 380.427 2.633 20 0 GFADRO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@@H]21 ZINC000824108468 608129116 /nfs/dbraw/zinc/12/91/16/608129116.db2.gz GREBUBYXPAJOKL-FGTMMUONSA-N 1 0 398.511 2.992 20 0 GFADRO CC(C)(O)C[N@@H+]1CCc2c(cccc2NCc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000824173020 608134305 /nfs/dbraw/zinc/13/43/05/608134305.db2.gz VIXSPTVFKQUSAB-UHFFFAOYSA-N 1 0 378.480 2.608 20 0 GFADRO O=C(N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12)c1ccc(-c2nn[nH]n2)s1 ZINC000826430065 608135037 /nfs/dbraw/zinc/13/50/37/608135037.db2.gz SNUSWQVVJWPMCX-OWCLPIDISA-N 1 0 394.504 2.569 20 0 GFADRO CC(C)(C)OC(=O)N1CCC[C@](C)(C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC000824823032 608135657 /nfs/dbraw/zinc/13/56/57/608135657.db2.gz JBVXPFSWYNGZHA-HXUWFJFHSA-N 1 0 386.500 2.994 20 0 GFADRO c1csc(CC[NH+]2CCN(c3ccc4cc(-c5nn[nH]n5)ccc4n3)CC2)c1 ZINC000826526107 608224459 /nfs/dbraw/zinc/22/44/59/608224459.db2.gz LDDHMNLEHUFPKA-UHFFFAOYSA-N 1 0 391.504 2.841 20 0 GFADRO CCOCC[N@H+](C)Cc1ccc(OCc2cccc(-c3nn[nH]n3)c2)c(OC)c1 ZINC000825595025 608268293 /nfs/dbraw/zinc/26/82/93/608268293.db2.gz VGOKIWDXQADRFO-UHFFFAOYSA-N 1 0 397.479 2.923 20 0 GFADRO COc1cccc(C[NH+]2CCC(Nc3nc(C)ccc3-c3nn[nH]n3)CC2)c1 ZINC000826216459 608276345 /nfs/dbraw/zinc/27/63/45/608276345.db2.gz ZUXARPJZEBOTKN-UHFFFAOYSA-N 1 0 379.468 2.655 20 0 GFADRO C[C@H]([NH2+]CCOc1ccc(-c2nn[nH]n2)cc1)c1cccc(N2CCCC2=O)c1 ZINC000824599080 608281165 /nfs/dbraw/zinc/28/11/65/608281165.db2.gz LZLWOSKLZXUHIG-HNNXBMFYSA-N 1 0 392.463 2.723 20 0 GFADRO Cc1ccc(NC(=O)C[C@@H](C)[NH2+]CCOc2ccc(-c3nn[nH]n3)cc2)c(C)c1 ZINC000826290518 608281631 /nfs/dbraw/zinc/28/16/31/608281631.db2.gz OWUZFHPWIXFXJM-MRXNPFEDSA-N 1 0 394.479 2.869 20 0 GFADRO Cc1nn2c(C[NH2+]CCOc3ccc(-c4nn[nH]n4)cc3)c(C(C)C)nc2s1 ZINC000826334909 608308400 /nfs/dbraw/zinc/30/84/00/608308400.db2.gz OULCLCXDPDQUMO-UHFFFAOYSA-N 1 0 398.496 2.571 20 0 GFADRO CC[NH+](CC)C[C@H]1CCN(Cc2c(-c3nn[nH]n3)c(C)nn2-c2ccccc2)C1 ZINC000825412071 608314369 /nfs/dbraw/zinc/31/43/69/608314369.db2.gz JECIRGGOCHAFBU-QGZVFWFLSA-N 1 0 394.527 2.525 20 0 GFADRO Cc1nn(-c2ccccc2)c(C[N@H+]2CC[C@@H](OCC(C)C)C2)c1-c1nn[nH]n1 ZINC000826332394 608317256 /nfs/dbraw/zinc/31/72/56/608317256.db2.gz SLJLIVUWXVEJMX-QGZVFWFLSA-N 1 0 381.484 2.608 20 0 GFADRO O[C@@H](C[NH+]1CC(c2nc3ccccc3s2)C1)c1ccc(-c2nn[nH]n2)cc1 ZINC000826502320 608321373 /nfs/dbraw/zinc/32/13/73/608321373.db2.gz AVVBZAVBUPRJKS-INIZCTEOSA-N 1 0 378.461 2.609 20 0 GFADRO C[C@H](NC(=O)N1CCC(CCC[NH+](C)C)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824492493 608326945 /nfs/dbraw/zinc/32/69/45/608326945.db2.gz ZPQGBTZSVSUCJV-HNNXBMFYSA-N 1 0 385.516 2.691 20 0 GFADRO CC1(C)c2ccccc2CC[N@H+]1CCC(=O)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000824819227 608331295 /nfs/dbraw/zinc/33/12/95/608331295.db2.gz YPKWETJTSQNHLS-UHFFFAOYSA-N 1 0 376.464 2.989 20 0 GFADRO COc1cc(-c2nn[nH]n2)ccc1C[N@H+](CCCO)[C@@H]1CCc2ccccc21 ZINC000826168361 608368805 /nfs/dbraw/zinc/36/88/05/608368805.db2.gz KRKLOCTTXCSJBQ-LJQANCHMSA-N 1 0 379.464 2.747 20 0 GFADRO O[C@@]1(Cc2cccc(Cl)c2)CC[N@H+](CCOc2cccc(-c3nn[nH]n3)c2)C1 ZINC000826505965 608379900 /nfs/dbraw/zinc/37/99/00/608379900.db2.gz JKFICPXLXPLTLF-HXUWFJFHSA-N 1 0 399.882 2.578 20 0 GFADRO O[C@]1(Cc2cccc(Cl)c2)CC[N@H+](Cc2ccc(F)cc2-c2nn[nH]n2)C1 ZINC000826506286 608380047 /nfs/dbraw/zinc/38/00/47/608380047.db2.gz QYVALZBULFPEFO-IBGZPJMESA-N 1 0 387.846 2.839 20 0 GFADRO C[C@H]1C[N@H+](Cc2cccc(-c3nn[nH]n3)c2F)CC[C@H]1NC(=O)OC(C)(C)C ZINC000824984941 608406036 /nfs/dbraw/zinc/40/60/36/608406036.db2.gz PQMNKYXFVPXSSP-SWLSCSKDSA-N 1 0 390.463 2.741 20 0 GFADRO CC(C)C[C@@H]([NH2+]CC(=O)NCc1cccc(-c2nn[nH]n2)c1)c1ccccc1 ZINC000824236434 608425339 /nfs/dbraw/zinc/42/53/39/608425339.db2.gz NUBUZXLAAYTBQW-LJQANCHMSA-N 1 0 378.480 2.860 20 0 GFADRO COc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2oc(C)c(C)c2-c2nn[nH]n2)cc1 ZINC000826188239 608431744 /nfs/dbraw/zinc/43/17/44/608431744.db2.gz RDUBCTDHVUKTQZ-NEPJUHHUSA-N 1 0 384.440 2.763 20 0 GFADRO COc1ccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2oc(C)c(C)c2-c2nn[nH]n2)cc1 ZINC000826188240 608431829 /nfs/dbraw/zinc/43/18/29/608431829.db2.gz RDUBCTDHVUKTQZ-NWDGAFQWSA-N 1 0 384.440 2.763 20 0 GFADRO COc1cccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2oc(C)c(C)c2-c2nn[nH]n2)c1 ZINC000826214415 608432445 /nfs/dbraw/zinc/43/24/45/608432445.db2.gz LNCNJWDTTOYFFV-NEPJUHHUSA-N 1 0 384.440 2.763 20 0 GFADRO CC(C)Oc1ccc([C@@H](C)[NH2+]CC(=O)NCc2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000824324122 608437883 /nfs/dbraw/zinc/43/78/83/608437883.db2.gz HEYPHVKACOGQTF-OAHLLOKOSA-N 1 0 394.479 2.621 20 0 GFADRO C[C@@H]([NH2+]CC(=O)Nc1ccc(-c2nn[nH]n2)cc1)c1ccc(OC(F)F)cc1 ZINC000824562883 608445902 /nfs/dbraw/zinc/44/59/02/608445902.db2.gz KOBCQIXHAJYCFX-LLVKDONJSA-N 1 0 388.378 2.757 20 0 GFADRO c1ccc([C@@H]2C[C@@H]2C[NH2+]C2CCN(c3ccc(-c4nn[nH]n4)cn3)CC2)cc1 ZINC000826520831 608448613 /nfs/dbraw/zinc/44/86/13/608448613.db2.gz SIOWGXXBLDFFPY-MJGOQNOKSA-N 1 0 375.480 2.624 20 0 GFADRO COc1cc([C@H](C)[NH2+]Cc2ccc(F)cc2-c2nn[nH]n2)cc(OC)c1OC ZINC000826177352 608449997 /nfs/dbraw/zinc/44/99/97/608449997.db2.gz FGWFCRZBBJAKQI-NSHDSACASA-N 1 0 387.415 2.882 20 0 GFADRO COc1ccc(-c2nn[nH]n2)cc1C[NH2+][C@H](C)c1cc(OC)c(OC)c(OC)c1 ZINC000826184485 608450019 /nfs/dbraw/zinc/45/00/19/608450019.db2.gz YVENBFSZQLAGHR-GFCCVEGCSA-N 1 0 399.451 2.752 20 0 GFADRO CC(C)Oc1cccc([C@@H](C)[NH2+]CC(=O)Nc2cccc(-c3nn[nH]n3)c2)c1 ZINC000824333873 608453047 /nfs/dbraw/zinc/45/30/47/608453047.db2.gz OYWFONNWRKKKRV-CQSZACIVSA-N 1 0 380.452 2.943 20 0 GFADRO CC[C@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1-c1nn[nH]n1)c1ccccc1OC ZINC000825139083 608456343 /nfs/dbraw/zinc/45/63/43/608456343.db2.gz BJUIVZZRXPJVIU-BBRMVZONSA-N 1 0 380.452 2.943 20 0 GFADRO CCOc1ccccc1[C@H](CC)[NH2+]CC(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000825653344 608457956 /nfs/dbraw/zinc/45/79/56/608457956.db2.gz BCLQMUBUSLFIMG-KRWDZBQOSA-N 1 0 380.452 2.945 20 0 GFADRO C[C@H]([NH2+]CCOc1ccccc1-c1nn[nH]n1)c1ccc(N2CCOC2=O)cc1 ZINC000824599799 608474617 /nfs/dbraw/zinc/47/46/17/608474617.db2.gz SRYRLRZLJRWZDW-AWEZNQCLSA-N 1 0 394.435 2.553 20 0 GFADRO COc1cc(OC)cc([C@H](O)C[NH2+][C@@H]2CCCc3cc(-c4nn[nH]n4)ccc32)c1 ZINC000826181019 608512635 /nfs/dbraw/zinc/51/26/35/608512635.db2.gz IEHIICLIAYXFPI-WOJBJXKFSA-N 1 0 395.463 2.585 20 0 GFADRO CC(C)c1nc2n(n1)C[C@@H]([NH2+][C@@H]1CCCc3cc(-c4nn[nH]n4)ccc31)CC2 ZINC000824364989 608519790 /nfs/dbraw/zinc/51/97/90/608519790.db2.gz XSDXZBMXABICKS-DOTOQJQBSA-N 1 0 378.484 2.564 20 0 GFADRO Cc1ccccc1[C@H]([NH2+]CCS(=O)(=O)c1cccc(-c2nn[nH]n2)c1)C(C)C ZINC000826305975 608519957 /nfs/dbraw/zinc/51/99/57/608519957.db2.gz NEYOFUBTHVVLCB-LJQANCHMSA-N 1 0 399.520 2.936 20 0 GFADRO Cc1ccccc1[C@H]([NH2+]CCS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)C(C)C ZINC000826306380 608520099 /nfs/dbraw/zinc/52/00/99/608520099.db2.gz XMCYIMYFVCJTPF-LJQANCHMSA-N 1 0 399.520 2.936 20 0 GFADRO O[C@H](C[NH2+][C@@H](CC1CC1)c1ccccc1)COc1ccc(-c2nn[nH]n2)cc1 ZINC000826502280 608528294 /nfs/dbraw/zinc/52/82/94/608528294.db2.gz AMEYIMIGHGELHF-QUCCMNQESA-N 1 0 379.464 2.737 20 0 GFADRO CCN(Cc1cccc(F)c1)C(=O)C[NH2+]C1(c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000825434600 608528865 /nfs/dbraw/zinc/52/88/65/608528865.db2.gz AYFPQBVQTSKEKU-UHFFFAOYSA-N 1 0 394.454 2.633 20 0 GFADRO C[C@@H](NC(=O)C[NH2+]C1(c2cccc(-c3nn[nH]n3)c2)CC1)c1ccc(Cl)cc1 ZINC000824477964 608530104 /nfs/dbraw/zinc/53/01/04/608530104.db2.gz DOZHPVPDNZFMIS-CYBMUJFWSA-N 1 0 396.882 2.976 20 0 GFADRO Cc1cc(C)cc(OC[C@@H](O)C[NH2+]C2(c3cccc(-c4nn[nH]n4)c3)CC2)c1 ZINC000826264740 608530992 /nfs/dbraw/zinc/53/09/92/608530992.db2.gz YUWZJNBGWZLZHL-SFHVURJKSA-N 1 0 379.464 2.502 20 0 GFADRO CC(C)[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)Cc1ccc(-n2cncn2)c(F)c1 ZINC000824293476 608531534 /nfs/dbraw/zinc/53/15/34/608531534.db2.gz NKJQHOXYEUVXQL-UHFFFAOYSA-N 1 0 392.442 2.997 20 0 GFADRO CC(C)(C)OC(=O)N1CC[C@H](C[NH2+]C2(c3cccc(-c4nn[nH]n4)c3)CC2)C1 ZINC000824104208 608531759 /nfs/dbraw/zinc/53/17/59/608531759.db2.gz PFEACXRMPHLMPM-CQSZACIVSA-N 1 0 384.484 2.702 20 0 GFADRO C[C@@H]([NH2+]CC(=O)Nc1sccc1-c1nn[nH]n1)c1cccc(N2CCCC2)c1 ZINC000824564085 608554684 /nfs/dbraw/zinc/55/46/84/608554684.db2.gz RKXRLPBFTCZFSK-CYBMUJFWSA-N 1 0 397.508 2.818 20 0 GFADRO COC(=O)C(C)(C)[C@@H]([NH2+]CCOc1ccc(-c2nn[nH]n2)cc1)c1ccccc1 ZINC000826098973 608555029 /nfs/dbraw/zinc/55/50/29/608555029.db2.gz VANQCGMUGAAYCU-SFHVURJKSA-N 1 0 395.463 2.776 20 0 GFADRO CN1C(=O)C[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)[C@H]1c1ccc(Cl)cc1 ZINC000826010954 608568977 /nfs/dbraw/zinc/56/89/77/608568977.db2.gz RJGMYKKKFGPDTP-SJLPKXTDSA-N 1 0 382.855 2.582 20 0 GFADRO CC[C@H](C)[C@@H](C)[NH2+]CC(=O)Nc1c(-c2nn[nH]n2)c(C)c(C)n1Cc1ccco1 ZINC000825059973 608578354 /nfs/dbraw/zinc/57/83/54/608578354.db2.gz MSULXKAIOBAARX-GXTWGEPZSA-N 1 0 399.499 2.889 20 0 GFADRO c1nc(C2CC2)sc1C[N@@H+]1CCCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000826521911 608585112 /nfs/dbraw/zinc/58/51/12/608585112.db2.gz CYCNNRGCZOMXQG-UHFFFAOYSA-N 1 0 381.509 2.913 20 0 GFADRO COC(=O)[C@H](C)C[N@H+](C)Cc1cccc(OCc2cccc(-c3nn[nH]n3)c2)c1 ZINC000826099143 608600509 /nfs/dbraw/zinc/60/05/09/608600509.db2.gz ZJGDMGYDYPMPET-OAHLLOKOSA-N 1 0 395.463 2.687 20 0 GFADRO c1nc2ccc(-c3nn[nH]n3)cn2c1C[N@@H+]1CCC[C@@H](Oc2ccccc2)C1 ZINC000826522806 608602009 /nfs/dbraw/zinc/60/20/09/608602009.db2.gz PHGSAQUUGJVJHP-GOSISDBHSA-N 1 0 375.436 2.558 20 0 GFADRO Fc1cc(-c2nn[nH]n2)ccc1N1CC[NH+](C[C@@H]2CCOc3ccccc32)CC1 ZINC000826372411 608640788 /nfs/dbraw/zinc/64/07/88/608640788.db2.gz UXPDRYYDJPGLBQ-INIZCTEOSA-N 1 0 394.454 2.694 20 0 GFADRO c1cc(CN2CC[N@@H+]3CCC[C@@H]3C2)cc(OCc2cccc(-c3nn[nH]n3)c2)c1 ZINC000826515580 608692192 /nfs/dbraw/zinc/69/21/92/608692192.db2.gz CYEZEPTXRWLDRU-HXUWFJFHSA-N 1 0 390.491 2.726 20 0 GFADRO CC(=O)N1CCCCC[C@@H]1C1CC[NH+](Cc2ccc(-c3nn[nH]n3)s2)CC1 ZINC000823981930 608696480 /nfs/dbraw/zinc/69/64/80/608696480.db2.gz SVKSIGQHTSAYKW-QGZVFWFLSA-N 1 0 388.541 2.931 20 0 GFADRO c1ccc(C[N@@H+]2CCC[C@H]3CN(c4cnccc4-c4nn[nH]n4)CC[C@H]32)cc1 ZINC000826521439 608795109 /nfs/dbraw/zinc/79/51/09/608795109.db2.gz MFMQFHHRRDBRRW-PKOBYXMFSA-N 1 0 375.480 2.753 20 0 GFADRO CC[C@@H]1C[N@H+](Cc2cccc(OCc3ccccc3-c3nn[nH]n3)c2)C[C@@H]1O ZINC000825210508 608849965 /nfs/dbraw/zinc/84/99/65/608849965.db2.gz HPYDVPBVGXRVNY-UZLBHIALSA-N 1 0 379.464 2.648 20 0 GFADRO O[C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)[N@H+](Cc2ccc(-c3nn[nH]n3)o2)C1 ZINC000826506115 608851703 /nfs/dbraw/zinc/85/17/03/608851703.db2.gz NBTOYSMJBHAVGP-GXTWGEPZSA-N 1 0 379.342 2.786 20 0 GFADRO C[C@H]([NH2+][C@H]1C[C@H](C)N(c2ccccc2)C1=O)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824539520 609151055 /nfs/dbraw/zinc/15/10/55/609151055.db2.gz OFKMZIVMLSSNRP-LXIYXOSZSA-N 1 0 380.427 2.850 20 0 GFADRO CC(C)Oc1ccc(-c2nn[nH]n2)cc1NC(=O)NCC1(C)CC[NH+](C)CC1 ZINC000824319436 609154359 /nfs/dbraw/zinc/15/43/59/609154359.db2.gz PYIOOTAAHFIGBQ-UHFFFAOYSA-N 1 0 387.488 2.507 20 0 GFADRO C[C@H](Cc1cccc(F)c1)[NH2+][C@@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000824457106 609168339 /nfs/dbraw/zinc/16/83/39/609168339.db2.gz FEKGPUWVLVNKPM-AUUYWEPGSA-N 1 0 394.454 2.722 20 0 GFADRO C[C@H](Cc1ccsc1)[NH2+][C@@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000824466336 609169024 /nfs/dbraw/zinc/16/90/24/609169024.db2.gz WKKDEWKDOUUGPU-CXAGYDPISA-N 1 0 382.493 2.644 20 0 GFADRO Cc1ccccc1C[C@@H](C)[NH2+][C@@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000826306890 609169144 /nfs/dbraw/zinc/16/91/44/609169144.db2.gz OYMDMBVEPOHODD-OXQOHEQNSA-N 1 0 390.491 2.891 20 0 GFADRO C[C@@H]([NH2+][C@@]1(CO)CCCN(Cc2ccccc2)C1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824539181 609235128 /nfs/dbraw/zinc/23/51/28/609235128.db2.gz MGMNNNDMOAYIGI-VGSWGCGISA-N 1 0 392.507 2.544 20 0 GFADRO COc1ccccc1NC(=O)C[C@H](C)[NH2+]C1(c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000826220043 609250585 /nfs/dbraw/zinc/25/05/85/609250585.db2.gz AIEFYPYDFQKJPW-AWEZNQCLSA-N 1 0 392.463 2.871 20 0 GFADRO COc1ccc(NC2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)c(C)n1 ZINC000826210433 609252076 /nfs/dbraw/zinc/25/20/76/609252076.db2.gz RNYHXAUWNYINLZ-UHFFFAOYSA-N 1 0 379.468 2.655 20 0 GFADRO CC[N@H+](C)Cc1cccc(CNC(=O)c2ccc(Cl)c(-c3nn[nH]n3)c2)c1 ZINC000825391149 609289793 /nfs/dbraw/zinc/28/97/93/609289793.db2.gz VSFINSGKMGBYHD-UHFFFAOYSA-N 1 0 384.871 2.902 20 0 GFADRO CC(C)(C)CC[NH+]1CCN(C(=O)c2ccc(Cl)c(-c3nn[nH]n3)c2)CC1 ZINC000824086466 609289922 /nfs/dbraw/zinc/28/99/22/609289922.db2.gz MMCCZWAVDNMFRR-UHFFFAOYSA-N 1 0 376.892 2.714 20 0 GFADRO C[C@H]([NH2+]CCCS(=O)(=O)c1ccccc1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824594033 609330608 /nfs/dbraw/zinc/33/06/08/609330608.db2.gz VZEMZVBDJYWJHX-ZDUSSCGKSA-N 1 0 389.456 2.520 20 0 GFADRO C[C@@H]([NH2+][C@H](C)c1ccc(-c2nn[nH]n2)cc1F)c1ccc2c(c1)CC(=O)N2C ZINC000824530245 609333238 /nfs/dbraw/zinc/33/32/38/609333238.db2.gz KIAPWPGDQWPKFR-VXGBXAGGSA-N 1 0 380.427 2.937 20 0 GFADRO Cc1cc(N2CCC([NH2+][C@@H](C)c3ccc(-c4nn[nH]n4)cc3F)CC2)nc(C)n1 ZINC000826269422 609339325 /nfs/dbraw/zinc/33/93/25/609339325.db2.gz LJULHCUJTNXLOD-ZDUSSCGKSA-N 1 0 396.474 2.732 20 0 GFADRO C[C@H]([NH2+]CCCNC(=O)c1ccc(F)cc1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824594228 609341068 /nfs/dbraw/zinc/34/10/68/609341068.db2.gz YLXTZXLQXGLAED-LBPRGKRZSA-N 1 0 386.406 2.616 20 0 GFADRO CCC1(CC)[C@H](OC)C[C@@H]1[NH2+]Cc1cn(C)nc1-c1ccc(-c2nn[nH]n2)cc1 ZINC000825171929 609342493 /nfs/dbraw/zinc/34/24/93/609342493.db2.gz WPTQHAGAYFPWKX-ZWKOTPCHSA-N 1 0 395.511 2.951 20 0 GFADRO Cn1cc(C[NH2+]CCC[C@H]2CCCC[C@H]2O)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826361934 609343723 /nfs/dbraw/zinc/34/37/23/609343723.db2.gz WQRWIKLVMLIMDT-DNVCBOLYSA-N 1 0 395.511 2.688 20 0 GFADRO C[C@@H]([NH2+]CC1CN(C(=O)OC(C)(C)C)C1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824577249 609345395 /nfs/dbraw/zinc/34/53/95/609345395.db2.gz ILWITIGDRLXHIW-LLVKDONJSA-N 1 0 376.436 2.523 20 0 GFADRO CC[NH+](CC)[C@@H]1CCN(Cc2ccc(-c3nn[nH]n3)cc2Br)C1 ZINC000825412910 609361357 /nfs/dbraw/zinc/36/13/57/609361357.db2.gz WISNYGYYSHORBP-CQSZACIVSA-N 1 0 379.306 2.545 20 0 GFADRO Brc1cc(-c2nn[nH]n2)ccc1C[N@@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000823820696 609365546 /nfs/dbraw/zinc/36/55/46/609365546.db2.gz IZWNXPCYYXKPLB-CQSZACIVSA-N 1 0 392.301 2.878 20 0 GFADRO CC[N@@H+]1C[C@@H](C)N(Cc2ccc(-c3nn[nH]n3)cc2Br)C[C@H]1C ZINC000825452508 609367125 /nfs/dbraw/zinc/36/71/25/609367125.db2.gz PQNARBOYUVTIPP-VXGBXAGGSA-N 1 0 379.306 2.544 20 0 GFADRO C[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1Br)C[C@@H]1CCCC[C@H]1O ZINC000825961550 609376344 /nfs/dbraw/zinc/37/63/44/609376344.db2.gz IAMTTWMNHXIKSJ-DZGCQCFKSA-N 1 0 380.290 2.612 20 0 GFADRO NC(=O)[C@@H](c1ccc(-c2nn[nH]n2)cc1)[N@@H+]1CCC[C@@H](c2ccc(F)cc2)CC1 ZINC000826389050 609379835 /nfs/dbraw/zinc/37/98/35/609379835.db2.gz OYQKFNXPMBRVFW-AUUYWEPGSA-N 1 0 394.454 2.802 20 0 GFADRO CC[N@@H+]1CCC[C@H](NC(=O)c2ccccc2Oc2ccccc2-c2nn[nH]n2)C1 ZINC000825452822 609381256 /nfs/dbraw/zinc/38/12/56/609381256.db2.gz QTRDELDEQPIWFG-HNNXBMFYSA-N 1 0 392.463 2.873 20 0 GFADRO COc1ccccc1[C@H](C)[NH2+][C@@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000826218775 609408913 /nfs/dbraw/zinc/40/89/13/609408913.db2.gz KTKATJGWDXDUHS-KBXCAEBGSA-N 1 0 392.463 2.722 20 0 GFADRO COc1ccccc1[C@@H](C)[NH2+][C@@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000826218778 609409125 /nfs/dbraw/zinc/40/91/25/609409125.db2.gz KTKATJGWDXDUHS-RDTXWAMCSA-N 1 0 392.463 2.722 20 0 GFADRO O=C1[C@H]([NH2+]Cc2cc3ccccc3o2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476735 609413490 /nfs/dbraw/zinc/41/34/90/609413490.db2.gz NWTNRHHEITWCRO-GOSISDBHSA-N 1 0 388.431 2.898 20 0 GFADRO CCOc1ccc(-c2nn[nH]n2)cc1NC1CC[NH+](Cc2ccncc2)CC1 ZINC000825626365 609439212 /nfs/dbraw/zinc/43/92/12/609439212.db2.gz LFSHVQASLLYPPF-UHFFFAOYSA-N 1 0 379.468 2.737 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCCN(C)C1=O)c1ccc(-c2cccc(-c3nn[nH]n3)c2)cc1 ZINC000824548059 609449773 /nfs/dbraw/zinc/44/97/73/609449773.db2.gz UWUARDBUWADHOM-IFXJQAMLSA-N 1 0 376.464 2.805 20 0 GFADRO Cc1ccnc(NCc2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)c1-c1nn[nH]n1 ZINC000826314043 609533581 /nfs/dbraw/zinc/53/35/81/609533581.db2.gz CZTOPZJIFQHCRN-HOTGVXAUSA-N 1 0 393.495 2.791 20 0 GFADRO Cc1c(Cl)cnc(NCCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1-c1nn[nH]n1 ZINC000826239524 609573775 /nfs/dbraw/zinc/57/37/75/609573775.db2.gz JXZSWHNYQDFRHV-TXEJJXNPSA-N 1 0 379.896 2.525 20 0 GFADRO Cc1ccc(F)cc1C[NH2+][C@@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000826289804 609600347 /nfs/dbraw/zinc/60/03/47/609600347.db2.gz OBOWVBRCPASOCV-GOSISDBHSA-N 1 0 380.427 2.599 20 0 GFADRO CC(C)([NH3+])CNS(=O)(=O)c1c(Cl)cc(Br)cc1Cl ZINC000129649135 654869880 /nfs/dbraw/zinc/86/98/80/654869880.db2.gz HLGAUAYOACRVLC-UHFFFAOYSA-N 1 0 376.103 2.772 20 0 GFADRO C[C@H](CNC(=O)C(F)(F)c1cc(Cl)ccc1Cl)N1CC[NH+](C)CC1 ZINC000817533262 660199642 /nfs/dbraw/zinc/19/96/42/660199642.db2.gz OLENXWKNLWYMGV-LLVKDONJSA-N 1 0 380.266 2.837 20 0 GFADRO OCCOC1(C[NH2+][C@@H](c2nc(Br)cs2)C2CC2)CCOCC1 ZINC000817584556 660201742 /nfs/dbraw/zinc/20/17/42/660201742.db2.gz DBCHAEDKJXVEMX-CYBMUJFWSA-N 1 0 391.331 2.504 20 0 GFADRO C[NH+](C)C1CCC(NC(=O)c2ccc(S(=O)(=O)C(F)(F)F)cc2)CC1 ZINC000817484650 660198071 /nfs/dbraw/zinc/19/80/71/660198071.db2.gz ZDGMIDXZFWTMJA-UHFFFAOYSA-N 1 0 378.416 2.583 20 0 GFADRO COc1cc([C@@H](C)N[C@@H](C[NH3+])C2CCCC2)ccc1S(=O)(=O)C(F)F ZINC000817980425 660212786 /nfs/dbraw/zinc/21/27/86/660212786.db2.gz ASXBRJKVABYGCO-RISCZKNCSA-N 1 0 376.469 2.860 20 0 GFADRO C[C@@H]1C[C@H](C)N(C(=O)/C=C/c2ccc(I)o2)C[C@@H]1C[NH3+] ZINC000818021644 660214220 /nfs/dbraw/zinc/21/42/20/660214220.db2.gz DAKLFSLBPGCMEG-REHSLHAZSA-N 1 0 388.249 2.729 20 0 GFADRO C[N@@H+]1CCC[C@]2(CCN(C(=O)c3cn4c(Br)cnc4s3)C2)C1 ZINC000818176633 660218709 /nfs/dbraw/zinc/21/87/09/660218709.db2.gz IPANXCPZRSZIKV-HNNXBMFYSA-N 1 0 383.315 2.716 20 0 GFADRO C[C@@H]1CC2(CN1S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)CC[NH2+]CC2 ZINC000818429821 660225721 /nfs/dbraw/zinc/22/57/21/660225721.db2.gz GRYXLBMVGAPFHR-MRVPVSSYSA-N 1 0 384.370 2.535 20 0 GFADRO COCCOc1ccc(C[NH2+]C[C@H](O)c2ccc(F)c(Br)c2)cn1 ZINC000818960868 660237990 /nfs/dbraw/zinc/23/79/90/660237990.db2.gz LEIKFVMJVNZOBX-INIZCTEOSA-N 1 0 399.260 2.832 20 0 GFADRO CC(C)(C)OC(=O)NC[C@](C)(O)C[NH2+]CCNc1ncc(Cl)cc1Cl ZINC000818961155 660238549 /nfs/dbraw/zinc/23/85/49/660238549.db2.gz MQJFLKDXFUHZEN-MRXNPFEDSA-N 1 0 393.315 2.666 20 0 GFADRO Cc1ccc([C@@H](O)C[NH2+]CCNC(=O)c2ccc(Br)cc2)cc1 ZINC000818972966 660239911 /nfs/dbraw/zinc/23/99/11/660239911.db2.gz PZUOZZQERVZYKY-KRWDZBQOSA-N 1 0 377.282 2.811 20 0 GFADRO CN(C[C@@H](O)C[NH2+]Cc1sccc1Br)C(=O)OC(C)(C)C ZINC000818984778 660241647 /nfs/dbraw/zinc/24/16/47/660241647.db2.gz HAJSJSDWEPQQBM-JTQLQIEISA-N 1 0 379.320 2.828 20 0 GFADRO COc1c(C)cnc(C[NH2+]C[C@@H](O)COc2cccc(Br)c2)c1C ZINC000818988902 660241973 /nfs/dbraw/zinc/24/19/73/660241973.db2.gz UNFLXXUMPXTWPU-OAHLLOKOSA-N 1 0 395.297 2.999 20 0 GFADRO CC(C)(C)OC(=O)NCC[C@@H](O)C[NH2+]CCc1ccc(Br)cc1 ZINC000819079935 660245825 /nfs/dbraw/zinc/24/58/25/660245825.db2.gz CJOQHVUIHKRFIT-OAHLLOKOSA-N 1 0 387.318 2.857 20 0 GFADRO CN(C)C(=O)[C@@H]1CCC[C@H]([NH2+]C[C@H](O)c2ccc(F)c(Br)c2)C1 ZINC000819075100 660245608 /nfs/dbraw/zinc/24/56/08/660245608.db2.gz APSUBWMYUBWEBW-WWGRRREGSA-N 1 0 387.293 2.858 20 0 GFADRO C[C@](O)(C[NH2+]CCCN1CCOC1=O)c1ccc(Br)cc1Cl ZINC000819013253 660243246 /nfs/dbraw/zinc/24/32/46/660243246.db2.gz WNDLHIWCNCWBIN-HNNXBMFYSA-N 1 0 391.693 2.742 20 0 GFADRO CN(CC[NH2+]C[C@@](C)(O)c1ccc(Br)cc1F)CC(F)(F)F ZINC000819055567 660244805 /nfs/dbraw/zinc/24/48/05/660244805.db2.gz RPQUNVOIWILCJY-CYBMUJFWSA-N 1 0 387.215 2.879 20 0 GFADRO CN1C[C@@H]([NH2+]C[C@@](C)(O)c2ccc(Br)cc2Cl)CCC1=O ZINC000819089310 660246140 /nfs/dbraw/zinc/24/61/40/660246140.db2.gz MLFDSNPSOBZJSM-XHDPSFHLSA-N 1 0 375.694 2.520 20 0 GFADRO CC(C)OC(=O)[C@H](C)C[NH2+]C[C@](C)(O)c1ccc(Br)cc1F ZINC000819116057 660246945 /nfs/dbraw/zinc/24/69/45/660246945.db2.gz MNOGIWVLWQSZSL-BZNIZROVSA-N 1 0 376.266 2.973 20 0 GFADRO O=C1NCCc2ccc(C[NH2+]C[C@H](O)c3cccc(Br)c3)cc21 ZINC000819227048 660251014 /nfs/dbraw/zinc/25/10/14/660251014.db2.gz AZXIPZRABJPDQE-KRWDZBQOSA-N 1 0 375.266 2.558 20 0 GFADRO O[C@@H](C[NH2+][C@H]1CCN(c2ncccc2F)C1)c1ccc(Br)cc1 ZINC000819150728 660248153 /nfs/dbraw/zinc/24/81/53/660248153.db2.gz UZBOICYYSAPYHV-HOCLYGCPSA-N 1 0 380.261 2.885 20 0 GFADRO O=C(C1CCCC1)N1CC[C@@H]([NH2+]C[C@H](O)c2ccc(Br)cc2)C1 ZINC000819163249 660248350 /nfs/dbraw/zinc/24/83/50/660248350.db2.gz IBDFNRUJIQOXEH-SJORKVTESA-N 1 0 381.314 2.863 20 0 GFADRO COc1ccc(CC[NH2+]C[C@@H](O)c2ccc(S(C)(=O)=O)cc2)c(Cl)c1 ZINC000819159239 660248359 /nfs/dbraw/zinc/24/83/59/660248359.db2.gz KPWZVFRRQNAIGN-GOSISDBHSA-N 1 0 383.897 2.618 20 0 GFADRO CCNS(=O)(=O)c1ccc(C[NH2+]C[C@H](O)c2ccc(Cl)c(F)c2)cc1 ZINC000819167501 660248505 /nfs/dbraw/zinc/24/85/05/660248505.db2.gz CIVHMBHEFKSUQP-KRWDZBQOSA-N 1 0 386.876 2.601 20 0 GFADRO COCCc1ccc(OC[C@H](O)C[NH2+][C@@H]2CC[C@@H]3SCCS[C@H]23)cc1 ZINC000819198848 660249836 /nfs/dbraw/zinc/24/98/36/660249836.db2.gz UPSCNRKZVYLNMF-OQIJWPOYSA-N 1 0 383.579 2.584 20 0 GFADRO CCc1nn(C)c(OC)c1C[NH2+]C[C@H](O)c1ccc(F)c(Br)c1 ZINC000819205190 660250083 /nfs/dbraw/zinc/25/00/83/660250083.db2.gz GFJDIPHRGKOSNC-HNNXBMFYSA-N 1 0 386.265 2.716 20 0 GFADRO Cc1cc(N2CCC[C@@H]([NH2+]C[C@@H](O)c3ccccc3Br)C2)n(C)n1 ZINC000819266905 660252992 /nfs/dbraw/zinc/25/29/92/660252992.db2.gz QBUJBZMFZKXVNG-RHSMWYFYSA-N 1 0 393.329 2.783 20 0 GFADRO C[S@](=O)C1(C[NH2+]C[C@](C)(O)c2ccc(Br)cc2F)CCC1 ZINC000819285550 660253563 /nfs/dbraw/zinc/25/35/63/660253563.db2.gz ILWZINFCIRGHTP-QKKBWIMNSA-N 1 0 378.307 2.687 20 0 GFADRO O[C@H](C[NH2+]CCOc1ccc(I)cc1)c1ccccc1 ZINC000819290926 660253829 /nfs/dbraw/zinc/25/38/29/660253829.db2.gz JILGQHDDDNAIMZ-MRXNPFEDSA-N 1 0 383.229 2.993 20 0 GFADRO CS(=O)(=O)C1(C[NH2+]C[C@@H](O)c2ccc(F)c(Br)c2)CCCC1 ZINC000819307637 660254342 /nfs/dbraw/zinc/25/43/42/660254342.db2.gz BXRFTYYKGJQHSK-CQSZACIVSA-N 1 0 394.306 2.569 20 0 GFADRO O[C@H](C[NH2+]CCn1cc(Br)cn1)c1ccccc1Br ZINC000819308422 660254493 /nfs/dbraw/zinc/25/44/93/660254493.db2.gz SPSZEXMNSUNCQD-CYBMUJFWSA-N 1 0 389.091 2.731 20 0 GFADRO COCC[C@@H](COC)[NH2+]C[C@@](C)(O)c1ccc(Br)cc1Cl ZINC000819323646 660254933 /nfs/dbraw/zinc/25/49/33/660254933.db2.gz NUWDMZNWCYMQHV-SWLSCSKDSA-N 1 0 380.710 2.951 20 0 GFADRO CCC[C@H](C)C(=O)NCC[NH2+]C[C@](C)(O)c1ccc(Br)cc1F ZINC000819329949 660255061 /nfs/dbraw/zinc/25/50/61/660255061.db2.gz MIJXDHYJLVBVDR-SJCJKPOMSA-N 1 0 389.309 2.938 20 0 GFADRO CCNS(=O)(=O)c1cccc(C[NH2+]C[C@H](O)c2ccc(Cl)c(F)c2)c1 ZINC000819359283 660256555 /nfs/dbraw/zinc/25/65/55/660256555.db2.gz DMEWGYOIZCRKEQ-KRWDZBQOSA-N 1 0 386.876 2.601 20 0 GFADRO Cn1nccc1[C@@H]1C[C@H]([NH2+]C[C@H](O)c2ccccc2Br)CCO1 ZINC000819356788 660256616 /nfs/dbraw/zinc/25/66/16/660256616.db2.gz ZTAIKASPIMUSBS-DQYPLSBCSA-N 1 0 380.286 2.726 20 0 GFADRO Cc1cc(N2CCC([NH2+]C[C@@H](O)c3ccccc3Br)CC2)n[nH]1 ZINC000819253847 660252115 /nfs/dbraw/zinc/25/21/15/660252115.db2.gz JSIZZJMAJOEDOT-MRXNPFEDSA-N 1 0 379.302 2.773 20 0 GFADRO COC1([C@H](C)[NH2+]C[C@@](C)(O)c2ccc(Br)cc2F)CCOCC1 ZINC000819372351 660257350 /nfs/dbraw/zinc/25/73/50/660257350.db2.gz AALWDTYVWLUUTL-BLLLJJGKSA-N 1 0 390.293 2.969 20 0 GFADRO C[C@@](O)(C[NH2+]CCCCS(C)(=O)=O)c1ccc(Br)cc1Cl ZINC000819381369 660257562 /nfs/dbraw/zinc/25/75/62/660257562.db2.gz BXDDPDPRAKUWFY-CQSZACIVSA-N 1 0 398.750 2.724 20 0 GFADRO COC(=O)[C@H]1[C@@H]2CN(c3cc[nH+]c4cc(OC)c(Br)cc43)C[C@@H]21 ZINC000819931995 660275687 /nfs/dbraw/zinc/27/56/87/660275687.db2.gz XQIPJHFJNZVNIK-CDMJZVDBSA-N 1 0 377.238 2.861 20 0 GFADRO O=C(NC1CC[NH+](CCOc2ccc(F)cc2)CC1)C1(Br)CC1 ZINC000820135838 660282654 /nfs/dbraw/zinc/28/26/54/660282654.db2.gz VQPCWPDSBIKBNU-UHFFFAOYSA-N 1 0 385.277 2.713 20 0 GFADRO C[C@@H]1C[N@@H+](CCCNC(=O)c2c(Cl)nc3cc(Cl)ccn32)C[C@H](C)O1 ZINC000820217858 660285480 /nfs/dbraw/zinc/28/54/80/660285480.db2.gz VBZOYFNXHBWCFI-TXEJJXNPSA-N 1 0 385.295 2.870 20 0 GFADRO CC(C)OCC[NH+]1CCC(NC(=O)c2csc(Br)n2)CC1 ZINC000820549180 660296976 /nfs/dbraw/zinc/29/69/76/660296976.db2.gz IVFMVTUWUQEXAU-UHFFFAOYSA-N 1 0 376.320 2.525 20 0 GFADRO Clc1ccc(C[N@@H+]2CCCN(CCn3cnc(Br)n3)CC2)cc1 ZINC000821342166 660322467 /nfs/dbraw/zinc/32/24/67/660322467.db2.gz LOADNMMNJSVLJA-UHFFFAOYSA-N 1 0 398.736 2.902 20 0 GFADRO CCn1ncc(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)c1Br ZINC000821366319 660323173 /nfs/dbraw/zinc/32/31/73/660323173.db2.gz ULSMOJBRTYLAOE-GJZGRUSLSA-N 1 0 377.286 2.841 20 0 GFADRO CCO[C@@H](CC[NH+](C)C)CNC(=O)Nc1cc2ccc(Br)cn2n1 ZINC000482182280 647896087 /nfs/dbraw/zinc/89/60/87/647896087.db2.gz FYCVNCIJEGEQPJ-AWEZNQCLSA-N 1 0 398.305 2.575 20 0 GFADRO O=C(NCCCC[NH+]1CCOCC1)C(F)(F)c1ccc(Br)cc1 ZINC000822245091 660342099 /nfs/dbraw/zinc/34/20/99/660342099.db2.gz RJGWOVXKVSINLY-UHFFFAOYSA-N 1 0 391.256 2.770 20 0 GFADRO CC[NH+]1CCN(c2ccc(CNC(=O)CC[C@H]3CC3(Cl)Cl)cn2)CC1 ZINC000822325853 660343014 /nfs/dbraw/zinc/34/30/14/660343014.db2.gz GGXASPCKUGYAEZ-HNNXBMFYSA-N 1 0 385.339 2.814 20 0 GFADRO Nc1cc(C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)cc(Br)n1 ZINC000822565205 660348194 /nfs/dbraw/zinc/34/81/94/660348194.db2.gz GOKHEQSUQIZFHP-CQSZACIVSA-N 1 0 389.297 2.678 20 0 GFADRO CS(=O)(=O)C1(c2nc(Cc3ccc(Cl)c(Cl)c3)no2)CC[NH2+]CC1 ZINC000822664801 660351238 /nfs/dbraw/zinc/35/12/38/660351238.db2.gz XESSFPXTODZDKA-UHFFFAOYSA-N 1 0 390.292 2.591 20 0 GFADRO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC000823306150 660368115 /nfs/dbraw/zinc/36/81/15/660368115.db2.gz RASPXZBGYCHSHI-QGZVFWFLSA-N 1 0 388.339 2.511 20 0 GFADRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1csc(I)n1 ZINC000823332017 660368578 /nfs/dbraw/zinc/36/85/78/660368578.db2.gz HASQVHKJRKMROJ-UWVGGRQHSA-N 1 0 393.294 2.598 20 0 GFADRO COCC[N@@H+]1CCC[C@@H](NC(=O)c2cc3c(ccc(F)c3Br)[nH]2)C1 ZINC000823152096 660363065 /nfs/dbraw/zinc/36/30/65/660363065.db2.gz MLJWBNYCZKRFBH-LLVKDONJSA-N 1 0 398.276 2.910 20 0 GFADRO COC[C@@]1(c2nc(C3(c4cccc(Br)c4)CC3)no2)CC[NH2+]C1 ZINC000823171861 660363971 /nfs/dbraw/zinc/36/39/71/660363971.db2.gz CIJHYJVFPRUWLV-MRXNPFEDSA-N 1 0 378.270 2.790 20 0 GFADRO [NH3+]CCCn1cc(-c2nc(C3(c4ccccc4Br)CC3)no2)nn1 ZINC000823216126 660365287 /nfs/dbraw/zinc/36/52/87/660365287.db2.gz QEQCBBJGBOPTRY-UHFFFAOYSA-N 1 0 389.257 2.519 20 0 GFADRO COc1ccc(Br)cc1C1(NC(=O)COC2CC[NH+](C)CC2)CC1 ZINC000823448437 660372279 /nfs/dbraw/zinc/37/22/79/660372279.db2.gz PAGCYYRZKFOYRX-UHFFFAOYSA-N 1 0 397.313 2.674 20 0 GFADRO COCC(C)(C)[NH+]1CCN(C[C@H](O)c2ccc(F)c(Br)c2)CC1 ZINC000823457024 660372787 /nfs/dbraw/zinc/37/27/87/660372787.db2.gz WAAMIECWIVXWTD-INIZCTEOSA-N 1 0 389.309 2.664 20 0 GFADRO COC(=O)/C(C)=C/C[N@@H+]1C[C@@H](c2ccc(Br)cc2)[C@H](C(=O)OC)C1 ZINC000823492407 660373658 /nfs/dbraw/zinc/37/36/58/660373658.db2.gz NBYGNZUFLDRCRT-KIIBNJGVSA-N 1 0 396.281 2.757 20 0 GFADRO CN(CCC[NH+](C)C)CCNC(=O)Nc1cnc(Cl)c(C(F)(F)F)c1 ZINC000823815915 660380744 /nfs/dbraw/zinc/38/07/44/660380744.db2.gz MKHVBKPMGMGSDZ-UHFFFAOYSA-N 1 0 381.830 2.759 20 0 GFADRO O=C(N[C@H]1C[C@@H]([NH+]2CCCC2)C1)c1cc(=O)c2cc(Br)ccc2o1 ZINC000824111960 660385639 /nfs/dbraw/zinc/38/56/39/660385639.db2.gz OYAMZZQLZCRKFM-BETUJISGSA-N 1 0 391.265 2.912 20 0 GFADRO C[NH+]1CCC(N(CCO)C(=O)C/C=C\c2ccc(Br)cc2)CC1 ZINC000824157866 660386455 /nfs/dbraw/zinc/38/64/55/660386455.db2.gz KIPHHZIQSZJKDI-IHWYPQMZSA-N 1 0 381.314 2.768 20 0 GFADRO CC(C)[C@H](CNC(=O)OC(C)(C)C)C[N@@H+]1CCC[C@H](CS(C)(=O)=O)C1 ZINC000824433696 660391869 /nfs/dbraw/zinc/39/18/69/660391869.db2.gz MYAPSBDWCYUGGL-JKSUJKDBSA-N 1 0 376.563 2.540 20 0 GFADRO CCS(=O)(=O)C1CC[NH+](C[C@@H](CNC(=O)OC(C)(C)C)C(C)C)CC1 ZINC000824297194 660389285 /nfs/dbraw/zinc/38/92/85/660389285.db2.gz QVDSKYLMYWLAEW-OAHLLOKOSA-N 1 0 376.563 2.682 20 0 GFADRO C[NH2+]CCN(C)C(=O)C[C@H](C)CCc1ccc(I)cc1 ZINC000843452374 661381840 /nfs/dbraw/zinc/38/18/40/661381840.db2.gz CRYHMIPYRYKSNW-CYBMUJFWSA-N 1 0 388.293 2.928 20 0 GFADRO C[N@@H+](Cc1ccc(Br)s1)C[C@@H](O)CNC(=O)OC(C)(C)C ZINC000824564020 660397017 /nfs/dbraw/zinc/39/70/17/660397017.db2.gz FNZLYRHDWMLXGM-JTQLQIEISA-N 1 0 379.320 2.828 20 0 GFADRO Cc1cc(Br)sc1S(=O)(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000845891201 661504220 /nfs/dbraw/zinc/50/42/20/661504220.db2.gz PYEIREOOSSKGHV-GHMZBOCLSA-N 1 0 381.361 2.970 20 0 GFADRO CC(C)[C@H](CNC(=O)OC(C)(C)C)C[N@@H+]1CCCC[C@H]1CS(C)(=O)=O ZINC000824913767 660404907 /nfs/dbraw/zinc/40/49/07/660404907.db2.gz FEBLNRNDKUAQKZ-CVEARBPZSA-N 1 0 376.563 2.682 20 0 GFADRO C[C@H](O)c1ncc(CNc2cc(N3CCOCC3)c(Br)c[nH+]2)s1 ZINC000825311515 660420094 /nfs/dbraw/zinc/42/00/94/660420094.db2.gz KRYQQNBCENCVLN-JTQLQIEISA-N 1 0 399.314 2.803 20 0 GFADRO [NH3+][C@H](CC(=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)C1CC1 ZINC000825840997 660443312 /nfs/dbraw/zinc/44/33/12/660443312.db2.gz DHNRNZSDGVCSHR-CYBMUJFWSA-N 1 0 376.810 2.530 20 0 GFADRO Cc1cc([C@H]([NH3+])CC(=O)N2CCN(Cc3ccsc3)CC2)cc(Cl)n1 ZINC000826030976 660448047 /nfs/dbraw/zinc/44/80/47/660448047.db2.gz ZHQSATCLHZCHFD-MRXNPFEDSA-N 1 0 378.929 2.839 20 0 GFADRO C[C@H]1C[C@@H](NC(=O)c2cc(Br)n(C)n2)CC[N@@H+]1Cc1ccccc1 ZINC000826721446 660462087 /nfs/dbraw/zinc/46/20/87/660462087.db2.gz GHDTXCZNXUCXLS-ZFWWWQNUSA-N 1 0 391.313 2.966 20 0 GFADRO O=C(NC[C@@H]1CC[N@@H+]1Cc1ccccc1)c1cc(=O)[nH]cc1Br ZINC000826636273 660459934 /nfs/dbraw/zinc/45/99/34/660459934.db2.gz SVEMIRASBPTMHA-ZDUSSCGKSA-N 1 0 376.254 2.554 20 0 GFADRO COCC[N@@H+]1CCC[C@@H](NC(=O)Cc2sc(SCC(C)C)nc2C)C1 ZINC000826661902 660460431 /nfs/dbraw/zinc/46/04/31/660460431.db2.gz FPTHCOHPPJQUEV-OAHLLOKOSA-N 1 0 385.599 2.969 20 0 GFADRO CCOCC[C@@H](O)C[N@@H+]1CC[C@@]2(C)[C@@H](C1)C2(Br)Br ZINC000852337395 661861385 /nfs/dbraw/zinc/86/13/85/661861385.db2.gz QXUQGMQDHIQTES-UTUOFQBUSA-N 1 0 385.140 2.602 20 0 GFADRO CCOc1cc(C[NH2+]CCS(=O)(=O)CC(F)(F)F)cc(Cl)c1O ZINC000827043949 660476529 /nfs/dbraw/zinc/47/65/29/660476529.db2.gz CGGXCFKGEMSQED-UHFFFAOYSA-N 1 0 375.796 2.511 20 0 GFADRO COc1cc(Br)ccc1CCC(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000827286425 660487926 /nfs/dbraw/zinc/48/79/26/660487926.db2.gz GVACORQUPYWDOZ-GDBMZVCRSA-N 1 0 381.314 2.943 20 0 GFADRO Cc1sc(C(=O)N2CCC([NH+]3CCN(C)CC3)CC2)cc1Br ZINC000827435820 660495134 /nfs/dbraw/zinc/49/51/34/660495134.db2.gz XQJPDARUVFEDQU-UHFFFAOYSA-N 1 0 386.359 2.671 20 0 GFADRO CN(C)CC[NH+]1CCC(CNC(=O)c2cc3sccc3nc2Cl)CC1 ZINC000827554960 660501931 /nfs/dbraw/zinc/50/19/31/660501931.db2.gz LXOBEOQAYBGTKM-UHFFFAOYSA-N 1 0 380.945 2.953 20 0 GFADRO [NH3+][C@@H](CC(=O)N1CCC(C(=O)Nc2cccc(Br)c2)CC1)C1CC1 ZINC000828103480 660531801 /nfs/dbraw/zinc/53/18/01/660531801.db2.gz NTMALZDCUGXUDP-INIZCTEOSA-N 1 0 394.313 2.754 20 0 GFADRO CN(CC[NH+]1CC2(C1)CCOCC2)C(=O)Cc1cscc1Br ZINC000829235279 660585856 /nfs/dbraw/zinc/58/58/56/660585856.db2.gz FEQQOZAAVGQVQB-UHFFFAOYSA-N 1 0 387.343 2.624 20 0 GFADRO O=C(Nc1ccc(Br)c(Br)c1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000868202923 662598544 /nfs/dbraw/zinc/59/85/44/662598544.db2.gz GIVZDHRRZPZXFE-IUCAKERBSA-N 1 0 375.064 2.790 20 0 GFADRO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)C[C@H]1C(=O)Nc2ccc(Br)cc21 ZINC000829563799 660601061 /nfs/dbraw/zinc/60/10/61/660601061.db2.gz NXTYWEHXLTWPQM-GZBFAFLISA-N 1 0 392.297 2.570 20 0 GFADRO CC(C)CN(CC1CC[NH+](C)CC1)C(=O)CCn1cc(Br)cn1 ZINC000829573381 660601501 /nfs/dbraw/zinc/60/15/01/660601501.db2.gz XPWDWQOJVNOIIN-UHFFFAOYSA-N 1 0 385.350 2.862 20 0 GFADRO CN1CC[NH+](CCC(C)(C)NC(=O)[C@@H](O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000829609493 660602896 /nfs/dbraw/zinc/60/28/96/660602896.db2.gz KCIXEAHZWNREFZ-INIZCTEOSA-N 1 0 388.339 2.559 20 0 GFADRO [NH3+]C1(CNC(=O)Nc2nnc(-c3c(F)cccc3Cl)s2)CCOCC1 ZINC000625880111 652374499 /nfs/dbraw/zinc/37/44/99/652374499.db2.gz OPQMOIGOZKTWKD-UHFFFAOYSA-N 1 0 385.852 2.627 20 0 GFADRO O=C(CC[N@@H+]1CC[C@H](CN2CCOC2=O)C1)Nc1ccc(Br)cc1 ZINC000830101205 660634975 /nfs/dbraw/zinc/63/49/75/660634975.db2.gz QNYDLFWPSUYNSP-ZDUSSCGKSA-N 1 0 396.285 2.552 20 0 GFADRO O=C1OCCN1C[C@H]1CC[N@@H+](Cc2nc3cc(Br)ccc3o2)C1 ZINC000830130339 660637266 /nfs/dbraw/zinc/63/72/66/660637266.db2.gz UOIVZOVCIPNFAK-NSHDSACASA-N 1 0 380.242 2.864 20 0 GFADRO [NH3+]C[C@@H](Cn1nc(Br)nc1Br)c1ccc(F)cc1 ZINC000830351117 660649912 /nfs/dbraw/zinc/64/99/12/660649912.db2.gz ODSVAQGBVSNIQC-QMMMGPOBSA-N 1 0 378.043 2.685 20 0 GFADRO CN(C)C(=O)O[C@@H]1CC[N@H+](C[C@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000830488541 660659176 /nfs/dbraw/zinc/65/91/76/660659176.db2.gz XIBIOJHOALRKHF-QWHCGFSZSA-N 1 0 377.268 2.506 20 0 GFADRO CN(C)C(=O)O[C@H]1CCC[N@H+](C[C@@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000830569312 660664741 /nfs/dbraw/zinc/66/47/41/660664741.db2.gz PCMSBNNWKIGPCC-KGLIPLIRSA-N 1 0 391.295 2.896 20 0 GFADRO O=C(Nc1nnc(-c2cccc(Br)c2)s1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000632933871 653415726 /nfs/dbraw/zinc/41/57/26/653415726.db2.gz CVDFRNICOVLXJJ-QWRGUYRKSA-N 1 0 380.271 2.546 20 0 GFADRO CCC[C@@H](C)NS(=O)(=O)c1cc(C(=O)NCCC[NH3+])c(Cl)cc1Cl ZINC000832235900 660766095 /nfs/dbraw/zinc/76/60/95/660766095.db2.gz KNIIDVBAXGSHBZ-SNVBAGLBSA-N 1 0 396.340 2.539 20 0 GFADRO Cc1ccc(NC(=O)c2cc(Br)[nH]n2)cc1NC(=O)CC[NH+](C)C ZINC000832265421 660770592 /nfs/dbraw/zinc/77/05/92/660770592.db2.gz IOTDBZAERWUZIY-UHFFFAOYSA-N 1 0 394.273 2.623 20 0 GFADRO CC(C)[N@@H+]1CCC[C@@H](NC(=O)[C@]2(C)CC2(Br)Br)C1 ZINC000832295700 660771794 /nfs/dbraw/zinc/77/17/94/660771794.db2.gz FSBGKCFKKGGHKR-PWSUYJOCSA-N 1 0 382.140 2.872 20 0 GFADRO COC(=O)c1cc(S(=O)(=O)NC(C)(C)CCC[NH+](C)C)ccc1Cl ZINC000832297726 660771809 /nfs/dbraw/zinc/77/18/09/660771809.db2.gz GTQPVPLLUWLCKW-UHFFFAOYSA-N 1 0 376.906 2.525 20 0 GFADRO O=C(Nc1ccc(N2CC[NH2+]CC2)cn1)c1cc(Br)cnc1Cl ZINC000832566417 660786753 /nfs/dbraw/zinc/78/67/53/660786753.db2.gz ZYNQSKLPNMKNLO-UHFFFAOYSA-N 1 0 396.676 2.554 20 0 GFADRO C[N@H+](C[C@@H](O)COc1ccc(F)cc1)C[C@@H](O)c1ccccc1Br ZINC000832671617 660793672 /nfs/dbraw/zinc/79/36/72/660793672.db2.gz FJMDEODCUDBSJF-RDTXWAMCSA-N 1 0 398.272 2.993 20 0 GFADRO C[C@@H]1C[N@H+](CCCNC(=O)c2c(Cl)nc3cc(Cl)ccn32)CCCO1 ZINC000834452902 660820684 /nfs/dbraw/zinc/82/06/84/660820684.db2.gz KJISSGZDRXWWQH-GFCCVEGCSA-N 1 0 385.295 2.872 20 0 GFADRO C[C@]1(C(=O)NCC2CC[NH+](C3CC3)CC2)CC1(Br)Br ZINC000834579888 660825432 /nfs/dbraw/zinc/82/54/32/660825432.db2.gz ACNIPBMVYGOARM-CYBMUJFWSA-N 1 0 394.151 2.873 20 0 GFADRO O=S(=O)(N1CCC([NH2+]C2CCc3ccccc3CC2)CC1)C(F)(F)F ZINC000834619157 660827136 /nfs/dbraw/zinc/82/71/36/660827136.db2.gz BXQRVWJAHRXHIS-UHFFFAOYSA-N 1 0 376.444 2.838 20 0 GFADRO Cc1ccc(-n2nc(Br)cc2C(=O)N[C@@H]2C[NH2+]CCC2(F)F)cc1 ZINC000834846206 660835060 /nfs/dbraw/zinc/83/50/60/660835060.db2.gz PFPURCBCZCSEMD-CYBMUJFWSA-N 1 0 399.239 2.670 20 0 GFADRO COc1ccc2c(c1)[C@H]([NH2+]CCS(=O)(=O)C1CCOCC1)CCCS2 ZINC000834889464 660837168 /nfs/dbraw/zinc/83/71/68/660837168.db2.gz IPRJUOCTUFMXSB-QGZVFWFLSA-N 1 0 385.551 2.806 20 0 GFADRO C[C@H]([NH2+]CCS(=O)(=O)C1CCOCC1)c1cc(Br)cs1 ZINC000834889039 660837189 /nfs/dbraw/zinc/83/71/89/660837189.db2.gz FFVBGNGTZRJMSL-JTQLQIEISA-N 1 0 382.345 2.755 20 0 GFADRO C[C@@H](CNC(=O)NC[C@H](O)c1ccccc1Br)[N@@H+]1CCC[C@@H](C)C1 ZINC000836296458 660898760 /nfs/dbraw/zinc/89/87/60/660898760.db2.gz REHDMPQHFQEVFR-KEYYUXOJSA-N 1 0 398.345 2.902 20 0 GFADRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@@H](O)c1ccccc1Br ZINC000836347046 660901155 /nfs/dbraw/zinc/90/11/55/660901155.db2.gz YFDLKSZHWQPWSP-CKEIUWERSA-N 1 0 398.345 2.902 20 0 GFADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)Nc1ccc(Br)c(C2CC2)n1 ZINC000836686152 660929702 /nfs/dbraw/zinc/92/97/02/660929702.db2.gz XBVWHWZSUMLDDR-QWHCGFSZSA-N 1 0 395.301 2.706 20 0 GFADRO CCC[C@@H]1CN(C(=O)Nc2ccnc(Br)c2)CC[N@@H+]1CCOC ZINC000836694392 660931543 /nfs/dbraw/zinc/93/15/43/660931543.db2.gz HMFVEWCOKFQVDT-CQSZACIVSA-N 1 0 385.306 2.809 20 0 GFADRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)Nc2ccnc(Br)c2)C1 ZINC000836695061 660932461 /nfs/dbraw/zinc/93/24/61/660932461.db2.gz CKMYLEUHSKWSHL-CQSZACIVSA-N 1 0 385.306 2.809 20 0 GFADRO Cc1ccc(C[C@@H](CO)CNC(=O)C2([NH+](C)C)CCC2)cc1Br ZINC000836991928 660962607 /nfs/dbraw/zinc/96/26/07/660962607.db2.gz JLSVFDNQXCDZKL-OAHLLOKOSA-N 1 0 383.330 2.509 20 0 GFADRO CCc1ccc(C[NH2+]Cc2ccc(S(=O)(=O)N3CCOCC3)s2)cc1 ZINC000030906220 654590382 /nfs/dbraw/zinc/59/03/82/654590382.db2.gz SYHYVJDQDGDBFJ-UHFFFAOYSA-N 1 0 380.535 2.621 20 0 GFADRO C[C@@H](CNS(=O)(=O)c1cccc(Br)c1)[N@@H+]1CCCC[C@@H]1C ZINC000032440983 654603194 /nfs/dbraw/zinc/60/31/94/654603194.db2.gz HNVJJOVITTWPMQ-STQMWFEESA-N 1 0 375.332 2.990 20 0 GFADRO C[NH+](C)CCNC(=O)c1ccc(NC(=O)c2nc(Cl)ccc2Cl)cc1 ZINC000032470633 654603798 /nfs/dbraw/zinc/60/37/98/654603798.db2.gz MUBKMZMJCDRSMH-UHFFFAOYSA-N 1 0 381.263 2.932 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1ccc(Br)cc1Cl ZINC000037382537 654614975 /nfs/dbraw/zinc/61/49/75/654614975.db2.gz IXSWMLOPAZFQRF-NSHDSACASA-N 1 0 381.723 2.865 20 0 GFADRO C[C@H]1CCCC[N@@H+]1CCCNS(=O)(=O)c1cccc(Br)c1 ZINC000037388894 654615069 /nfs/dbraw/zinc/61/50/69/654615069.db2.gz GQONAHXQRZVDSC-ZDUSSCGKSA-N 1 0 375.332 2.992 20 0 GFADRO C[C@@H](CNC(=O)C(=O)Nc1cccc(Br)c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000041651271 654628989 /nfs/dbraw/zinc/62/89/89/654628989.db2.gz CQOZUCAMYUHYHU-OLZOCXBDSA-N 1 0 382.302 2.624 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)C(=O)NCC[N@H+]1CCCC[C@@H]1C ZINC000041666211 654629465 /nfs/dbraw/zinc/62/94/65/654629465.db2.gz GOMZNUYHTQMTBB-ZDUSSCGKSA-N 1 0 382.302 2.687 20 0 GFADRO Cc1cc(NC(=O)C(=O)NCC[N@H+]2CCC[C@@H](C)C2)ccc1Br ZINC000041669178 654629583 /nfs/dbraw/zinc/62/95/83/654629583.db2.gz YDSIMADDZGXKTO-GFCCVEGCSA-N 1 0 382.302 2.544 20 0 GFADRO C#CCOc1ccc(Br)cc1C[NH2+]C[C@@H](O)COc1ccccc1 ZINC000042203308 654636053 /nfs/dbraw/zinc/63/60/53/654636053.db2.gz NQFAPHJOOWLEKB-QGZVFWFLSA-N 1 0 390.277 2.991 20 0 GFADRO CN(CCC(=O)NC[C@H](O)c1ccccc1Br)c1cc[nH+]cc1 ZINC000837200927 660978192 /nfs/dbraw/zinc/97/81/92/660978192.db2.gz JJJCIEJFUDPNHK-INIZCTEOSA-N 1 0 378.270 2.520 20 0 GFADRO O=C(NCCC[NH+]1CCCC1)c1cnn(-c2ccc(Br)cc2)c1 ZINC000044355246 654656688 /nfs/dbraw/zinc/65/66/88/654656688.db2.gz YWJTUEUDPPUHCJ-UHFFFAOYSA-N 1 0 377.286 2.851 20 0 GFADRO CC[NH+]1CCC(CNS(=O)(=O)c2ccc(C)cc2Br)CC1 ZINC000044411850 654657819 /nfs/dbraw/zinc/65/78/19/654657819.db2.gz VBWDYGDUSBQXDN-UHFFFAOYSA-N 1 0 375.332 2.768 20 0 GFADRO O=C(NCc1ccc(Br)s1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000045542890 654669400 /nfs/dbraw/zinc/66/94/00/654669400.db2.gz PDRXJJWEICYCLK-UHFFFAOYSA-N 1 0 381.299 2.937 20 0 GFADRO C[N@@H+]1CCC[C@@H](NC(=O)c2cc(Cl)ccc2I)C1 ZINC000048752765 654712801 /nfs/dbraw/zinc/71/28/01/654712801.db2.gz GXFPMBKPTBPFMD-SNVBAGLBSA-N 1 0 378.641 2.769 20 0 GFADRO CC(C)NC(=O)C[N@H+](C)CCCOc1cccc(I)c1 ZINC000049000359 654714130 /nfs/dbraw/zinc/71/41/30/654714130.db2.gz UYOGZYOIVMNIBJ-UHFFFAOYSA-N 1 0 390.265 2.517 20 0 GFADRO C[N@@H+]1CCC[C@H]1CNC(=O)c1cc(I)ccc1Cl ZINC000121965683 654726251 /nfs/dbraw/zinc/72/62/51/654726251.db2.gz IBSIDTPJGVBBAA-JTQLQIEISA-N 1 0 378.641 2.769 20 0 GFADRO O=S(=O)(NCC[NH2+]Cc1c[nH]nc1-c1ccc(Cl)cc1)c1cccs1 ZINC000122179817 654730829 /nfs/dbraw/zinc/73/08/29/654730829.db2.gz FKDIZQBVTZQVNU-UHFFFAOYSA-N 1 0 396.925 2.860 20 0 GFADRO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)N1CCC[N@@H+](C)CC1 ZINC000122314634 654733261 /nfs/dbraw/zinc/73/32/61/654733261.db2.gz SUBNFWPQGARVSP-UHFFFAOYSA-N 1 0 379.254 2.642 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)C(=O)CCS(=O)(=O)c2ccc(Cl)cc2)[C@H](C)C1 ZINC000122310224 654733412 /nfs/dbraw/zinc/73/34/12/654733412.db2.gz CRKLPLAVQYOFOU-PBHICJAKSA-N 1 0 386.945 2.693 20 0 GFADRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)NCCc2nc(C(F)(F)F)cs2)C1 ZINC000122321385 654733916 /nfs/dbraw/zinc/73/39/16/654733916.db2.gz YTORDVCUDCAJRW-LBPRGKRZSA-N 1 0 378.464 2.982 20 0 GFADRO CC(C)[NH+](CCNC(=O)Cc1cc2c(cc1Br)OCCO2)C(C)C ZINC000052834989 654740449 /nfs/dbraw/zinc/74/04/49/654740449.db2.gz PLDOPFODRAOKJQ-UHFFFAOYSA-N 1 0 399.329 2.998 20 0 GFADRO CC[N@H+](CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1)C1CCCC1 ZINC000052908473 654741571 /nfs/dbraw/zinc/74/15/71/654741571.db2.gz ZKHMLVSZCQNXFW-UHFFFAOYSA-N 1 0 387.933 2.793 20 0 GFADRO O=S(=O)(NC[C@@H]1CCC[NH2+]1)c1c(Cl)cc(Br)cc1Cl ZINC000053254464 654743012 /nfs/dbraw/zinc/74/30/12/654743012.db2.gz WSELYKKEAMAFRI-QMMMGPOBSA-N 1 0 388.114 2.786 20 0 GFADRO CC[N@H+](CCNC(=O)C(=O)Nc1cc(F)c(Br)cc1F)C(C)C ZINC000122960615 654748182 /nfs/dbraw/zinc/74/81/82/654748182.db2.gz BONGQYRNTAGWFS-UHFFFAOYSA-N 1 0 392.244 2.512 20 0 GFADRO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1cc(F)c(Br)cc1F ZINC000122960010 654748240 /nfs/dbraw/zinc/74/82/40/654748240.db2.gz LDMOIIGJNWVHCN-VIFPVBQESA-N 1 0 392.244 2.512 20 0 GFADRO C[NH+](C)CCN(Cc1ccco1)C(=O)C(=O)Nc1cccc(Br)c1 ZINC000123021716 654750371 /nfs/dbraw/zinc/75/03/71/654750371.db2.gz SSVRDHRCNMIBEX-UHFFFAOYSA-N 1 0 394.269 2.571 20 0 GFADRO CCC[N@H+](CC)CCNC(=O)C(=O)Nc1cc(F)c(Br)cc1F ZINC000123057316 654751708 /nfs/dbraw/zinc/75/17/08/654751708.db2.gz AHZFJQSALPZKPE-UHFFFAOYSA-N 1 0 392.244 2.514 20 0 GFADRO CC[NH+](CC)CCN(Cc1cccs1)S(=O)(=O)c1cn(C)c(Cl)n1 ZINC000123531209 654758534 /nfs/dbraw/zinc/75/85/34/654758534.db2.gz DCMAABRSWQRJPM-UHFFFAOYSA-N 1 0 390.962 2.668 20 0 GFADRO C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)Nc1ccc(F)cc1Br ZINC000123958835 654767064 /nfs/dbraw/zinc/76/70/64/654767064.db2.gz HQEWSHJOHJNLAQ-NSHDSACASA-N 1 0 386.265 2.517 20 0 GFADRO O=C(C[NH2+]C1(c2cccc(Br)c2)CCOCC1)Nc1ccon1 ZINC000055055645 654768206 /nfs/dbraw/zinc/76/82/06/654768206.db2.gz TUCFOOXZSMOXHM-UHFFFAOYSA-N 1 0 380.242 2.671 20 0 GFADRO C[NH+](C)CCOc1cc(CNC(=O)c2sccc2Br)ccn1 ZINC000124055846 654769974 /nfs/dbraw/zinc/76/99/74/654769974.db2.gz HRVILUCFQBNODT-UHFFFAOYSA-N 1 0 384.299 2.776 20 0 GFADRO C[C@@H]1C[C@@H](NS(=O)(=O)/C=C/c2ccc(Br)cc2)C[N@@H+]1C1CC1 ZINC000124087471 654770794 /nfs/dbraw/zinc/77/07/94/654770794.db2.gz CYEJMKSTAMNBTL-FPPHFASXSA-N 1 0 385.327 2.964 20 0 GFADRO COc1cc(C(=O)NC[C@@H](C)C[NH+]2CCCC2)cc(OC)c1Br ZINC000055539525 654776128 /nfs/dbraw/zinc/77/61/28/654776128.db2.gz CNANGTZGTXHGQT-GFCCVEGCSA-N 1 0 385.302 2.928 20 0 GFADRO Cc1ccc(NC(=O)C(=O)N2CCC(CC[NH+](C)C)CC2)cc1Br ZINC000124538354 654777745 /nfs/dbraw/zinc/77/77/45/654777745.db2.gz SXTFGZZUZJQNCW-UHFFFAOYSA-N 1 0 396.329 2.886 20 0 GFADRO CN(C(=O)CSc1nncn1-c1cccc(Cl)c1)C1CC[NH+](C)CC1 ZINC000055952279 654784900 /nfs/dbraw/zinc/78/49/00/654784900.db2.gz YBIWPRCPMJSTMO-UHFFFAOYSA-N 1 0 379.917 2.565 20 0 GFADRO Cc1n[nH]c(C(=O)N(CCc2ccccc2)CC[NH+](C)C)c1Br ZINC000056078912 654787701 /nfs/dbraw/zinc/78/77/01/654787701.db2.gz QJAREFGCRZPXQC-UHFFFAOYSA-N 1 0 379.302 2.727 20 0 GFADRO C[C@H]1C[NH2+]CCN1C(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000125791180 654802009 /nfs/dbraw/zinc/80/20/09/654802009.db2.gz UHRXRRFZTQWPOS-JSGCOSHPSA-N 1 0 384.307 2.666 20 0 GFADRO C[NH+]1CCC(CCNC(=O)Cc2ccccc2I)CC1 ZINC000125849820 654803638 /nfs/dbraw/zinc/80/36/38/654803638.db2.gz TVHJAADZUZEVML-UHFFFAOYSA-N 1 0 386.277 2.682 20 0 GFADRO O=C(N[C@H]1CC[N@H+](CC2CC2)C1)N1CCN(Cc2ccc(Cl)s2)CC1 ZINC000126036668 654807412 /nfs/dbraw/zinc/80/74/12/654807412.db2.gz PQSFNNBNFSZBKW-HNNXBMFYSA-N 1 0 382.961 2.713 20 0 GFADRO C[NH+](C)[C@@H](CNS(=O)(=O)c1cccc(Br)c1)Cc1ccccc1 ZINC000057704489 654808566 /nfs/dbraw/zinc/80/85/66/654808566.db2.gz SQSXOFMXOAVLNH-MRXNPFEDSA-N 1 0 397.338 2.900 20 0 GFADRO CCS(=O)(=O)c1ccc(Cl)c(C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000127191925 654825961 /nfs/dbraw/zinc/82/59/61/654825961.db2.gz UIEXQGKWWGPFBF-AWEZNQCLSA-N 1 0 384.929 2.692 20 0 GFADRO Cc1ccc(S(=O)(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)c(Cl)c1 ZINC000127423664 654829535 /nfs/dbraw/zinc/82/95/35/654829535.db2.gz NXGKZWXUFMSGRZ-DLBZAZTESA-N 1 0 386.945 2.695 20 0 GFADRO CCOc1cc(Br)c(CC(=O)NCC[N@H+](C)C2CC2)cc1OCC ZINC000063116878 654848895 /nfs/dbraw/zinc/84/88/95/654848895.db2.gz RIOMWDYJAZQBTG-UHFFFAOYSA-N 1 0 399.329 2.999 20 0 GFADRO COc1ccccc1S(=O)(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000064599546 654872767 /nfs/dbraw/zinc/87/27/67/654872767.db2.gz GEUCPAKXFKVJHK-OAHLLOKOSA-N 1 0 380.535 2.947 20 0 GFADRO C[C@H]1C[C@H](N(C)S(=O)(=O)c2ccc(F)c(Br)c2)CC[N@@H+]1C ZINC000266454526 654879989 /nfs/dbraw/zinc/87/99/89/654879989.db2.gz OUPXPUVLIKUBGD-WDEREUQCSA-N 1 0 379.295 2.691 20 0 GFADRO CCN(CC)S(=O)(=O)c1cc(NC(=O)C[N@H+](CC)C2CC2)ccc1Cl ZINC000130217056 654884337 /nfs/dbraw/zinc/88/43/37/654884337.db2.gz IKIVWVRFTYIWCJ-UHFFFAOYSA-N 1 0 387.933 2.793 20 0 GFADRO C[C@@H]1C[C@@H](C)CN(S(=O)(=O)N(CC[NH+](C)C)Cc2cccc(Cl)c2)C1 ZINC000065972188 654891421 /nfs/dbraw/zinc/89/14/21/654891421.db2.gz SQKOAACSJWRNFP-HZPDHXFCSA-N 1 0 387.977 2.926 20 0 GFADRO CC[NH+](CC)CCSCC(=O)Nc1cccc(C[S@@](=O)CCOC)c1 ZINC000266827374 654895858 /nfs/dbraw/zinc/89/58/58/654895858.db2.gz HJVMEMKGHWANBY-VWLOTQADSA-N 1 0 386.583 2.595 20 0 GFADRO C[N@@H+]1CCC[C@H](CCNC(=O)/C=C\c2ccc(I)o2)C1 ZINC000838137165 661029961 /nfs/dbraw/zinc/02/99/61/661029961.db2.gz PJUGRQXXTDOJFG-SMYYYNMVSA-N 1 0 388.249 2.746 20 0 GFADRO O=C(Nc1ccc(F)cc1Br)N1CC[NH+](C2CCOCC2)CC1 ZINC000267038058 654906524 /nfs/dbraw/zinc/90/65/24/654906524.db2.gz OKNOOBKFYMSNLU-UHFFFAOYSA-N 1 0 386.265 2.917 20 0 GFADRO C[NH+](C)[C@@]1(CNC(=O)CCC(=O)CCC(=O)c2cccs2)CCSC1 ZINC000267103669 654911001 /nfs/dbraw/zinc/91/10/01/654911001.db2.gz LNIQBMAIPZIXGN-GOSISDBHSA-N 1 0 382.551 2.614 20 0 GFADRO CS(=O)(=O)c1cc(C(=O)NC2CC[NH+](C3CCCC3)CC2)ccc1Cl ZINC000267127027 654912366 /nfs/dbraw/zinc/91/23/66/654912366.db2.gz CACPCZPAGRPPNW-UHFFFAOYSA-N 1 0 384.929 2.880 20 0 GFADRO C[NH+](C)[C@]1(CNC(=O)N[C@@H](c2nccs2)c2ccccc2)CCSC1 ZINC000267189799 654915949 /nfs/dbraw/zinc/91/59/49/654915949.db2.gz OHNYOZQHTCAKTH-QAPCUYQASA-N 1 0 376.551 2.969 20 0 GFADRO O=S(=O)(/C=C/c1cccc(Br)c1)NC1CC[NH+](C2CC2)CC1 ZINC000066902408 654920196 /nfs/dbraw/zinc/92/01/96/654920196.db2.gz QWXOZMSKXWHFJU-DHZHZOJOSA-N 1 0 385.327 2.966 20 0 GFADRO COc1cc(Br)c(OCC[N@H+](C)[C@@H](C)CO)cc1Br ZINC000132039065 654925612 /nfs/dbraw/zinc/92/56/12/654925612.db2.gz DRTGDILWESPWHJ-VIFPVBQESA-N 1 0 397.107 2.912 20 0 GFADRO C[NH+](C)[C@]1(CNC(=O)C2(c3ccccc3Cl)CCOCC2)CCSC1 ZINC000267385953 654926371 /nfs/dbraw/zinc/92/63/71/654926371.db2.gz ZYNQUVDRADTQBH-SFHVURJKSA-N 1 0 382.957 2.942 20 0 GFADRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@@H]1CSCCS1 ZINC000132474825 654938467 /nfs/dbraw/zinc/93/84/67/654938467.db2.gz MVGRTRGRBUBDOV-QZTJIDSGSA-N 1 0 379.595 2.999 20 0 GFADRO CC[N@@H+]1CCCC[C@@H]1C(=O)NCC(=O)Nc1ccc(Br)cc1C ZINC000067706221 654943380 /nfs/dbraw/zinc/94/33/80/654943380.db2.gz ZTFVSJFVHVTABR-OAHLLOKOSA-N 1 0 382.302 2.687 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)C(=O)NC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000067781923 654945655 /nfs/dbraw/zinc/94/56/55/654945655.db2.gz OUOICZWQIYUPDR-CYBMUJFWSA-N 1 0 382.302 2.543 20 0 GFADRO CCOc1c(Br)cc(C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)cc1OC ZINC000067865256 654947074 /nfs/dbraw/zinc/94/70/74/654947074.db2.gz KJPOTDOZZSEZNR-LBPRGKRZSA-N 1 0 383.286 2.823 20 0 GFADRO C[NH2+][C@@H]1CCCN(C(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CCCC2)C1 ZINC000133022778 654952285 /nfs/dbraw/zinc/95/22/85/654952285.db2.gz JEVYPNLURACAPY-OAHLLOKOSA-N 1 0 384.929 2.637 20 0 GFADRO CCS(=O)(=O)N1CCC([NH2+][C@H](C)c2cc(Cl)c(OC)cc2OC)CC1 ZINC000133202675 654956140 /nfs/dbraw/zinc/95/61/40/654956140.db2.gz KMFZMXBLSACAAB-GFCCVEGCSA-N 1 0 390.933 2.822 20 0 GFADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)Nc1cccc(Br)c1C ZINC000133257340 654958336 /nfs/dbraw/zinc/95/83/36/654958336.db2.gz VELABUIOMMKVGP-KGLIPLIRSA-N 1 0 394.313 2.781 20 0 GFADRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccnc(Br)c1 ZINC000268182341 654962123 /nfs/dbraw/zinc/96/21/23/654962123.db2.gz WSCZELBXYSCYOI-UHFFFAOYSA-N 1 0 387.281 2.920 20 0 GFADRO CC[C@H](Cc1ccccc1Br)C(=O)NCC1(O)CC[NH+](C)CC1 ZINC000268222788 654963986 /nfs/dbraw/zinc/96/39/86/654963986.db2.gz MHHZVMVZXCSJFK-CQSZACIVSA-N 1 0 383.330 2.591 20 0 GFADRO CC(C)[NH+]1CCN(C(=O)Nc2cccc(F)c2I)CC1 ZINC000133516047 654965592 /nfs/dbraw/zinc/96/55/92/654965592.db2.gz NLKKCNCHMVZLCP-UHFFFAOYSA-N 1 0 391.228 2.988 20 0 GFADRO C[NH+](C)CCCCCOC(=O)COc1ccc(I)cc1 ZINC000133654823 654969670 /nfs/dbraw/zinc/96/96/70/654969670.db2.gz CCFGGAGBFFYUOV-UHFFFAOYSA-N 1 0 391.249 2.945 20 0 GFADRO CC(C)[NH+]1CCC(O)(CNC(=O)c2[nH]c3ccccc3c2Br)CC1 ZINC000268485631 654974309 /nfs/dbraw/zinc/97/43/09/654974309.db2.gz PZCZUNVJWYUMBI-UHFFFAOYSA-N 1 0 394.313 2.896 20 0 GFADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(Br)cc1Cl ZINC000069503181 654982310 /nfs/dbraw/zinc/98/23/10/654982310.db2.gz JRDQTOBDPDWTPA-LBPRGKRZSA-N 1 0 375.694 2.943 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)Nc1ccc(CS(C)(=O)=O)cc1)c1cccs1 ZINC000069619992 654984104 /nfs/dbraw/zinc/98/41/04/654984104.db2.gz PWXZOTYBHHOWAM-OAHLLOKOSA-N 1 0 381.523 2.717 20 0 GFADRO CC(C)[N@@H+]1CCCN(C(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)CC1 ZINC000069618267 654984168 /nfs/dbraw/zinc/98/41/68/654984168.db2.gz LIUJMCSLVJCJIG-UHFFFAOYSA-N 1 0 375.441 2.631 20 0 GFADRO O=C(Cc1ccc(F)c(Br)c1)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000069742059 654985992 /nfs/dbraw/zinc/98/59/92/654985992.db2.gz VDSJVCPEZITVFO-OAHLLOKOSA-N 1 0 399.304 2.702 20 0 GFADRO C[C@H]1CN(CCO)CCN1C(=O)N[C@H]1CCOc2c(Cl)c(Cl)ccc21 ZINC000838564330 661049918 /nfs/dbraw/zinc/04/99/18/661049918.db2.gz BXHJFSREBHATJW-FZMZJTMJSA-N 1 0 388.295 2.525 20 0 GFADRO CN(C)c1ncc(C[NH2+]C[C@H](O)COc2ccccc2Br)s1 ZINC000268820820 654988162 /nfs/dbraw/zinc/98/81/62/654988162.db2.gz XMGYBUJBEUBWHL-NSHDSACASA-N 1 0 386.315 2.501 20 0 GFADRO CNC(=O)CCC[NH2+][C@@H](C)c1nnn(-c2cccc(Br)c2)c1C ZINC000268862691 654989419 /nfs/dbraw/zinc/98/94/19/654989419.db2.gz VWDPZOITPWJSTM-NSHDSACASA-N 1 0 380.290 2.515 20 0 GFADRO O=S(=O)(Cc1ccccc1Cl)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000268993377 654994400 /nfs/dbraw/zinc/99/44/00/654994400.db2.gz VPMZINXBDMDTPH-ROUUACIJSA-N 1 0 386.945 2.527 20 0 GFADRO CC[NH+](CC)CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@H]1CCC(=O)N1 ZINC000070905361 654996557 /nfs/dbraw/zinc/99/65/57/654996557.db2.gz WYQWGWVMXGYIKZ-MRXNPFEDSA-N 1 0 386.323 2.942 20 0 GFADRO C[C@@H]([NH3+])C1CCN(C(=O)c2cc(F)ccc2I)CC1 ZINC000269157301 655000019 /nfs/dbraw/zinc/00/00/19/655000019.db2.gz YCXLLFGEILCJJF-SECBINFHSA-N 1 0 376.213 2.630 20 0 GFADRO C[C@@H](NC(=O)c1c(F)cccc1I)[C@H]1CCC[NH2+]C1 ZINC000269177733 655000664 /nfs/dbraw/zinc/00/06/64/655000664.db2.gz HIGQMBGPLGZFSZ-ZJUUUORDSA-N 1 0 376.213 2.548 20 0 GFADRO C[C@H]([NH3+])CCNC(=O)c1cccc(Br)c1I ZINC000269178057 655000680 /nfs/dbraw/zinc/00/06/80/655000680.db2.gz ZEOASGCHXCLDEY-ZETCQYMHSA-N 1 0 397.054 2.521 20 0 GFADRO CCCC[C@@H](C[NH3+])NC(=O)[C@@H](C)Sc1ccccc1S(=O)(=O)CCC ZINC000269187852 655001162 /nfs/dbraw/zinc/00/11/62/655001162.db2.gz HDVWADIEHMCPMR-CABCVRRESA-N 1 0 386.583 2.985 20 0 GFADRO C[C@]1(CNC(=O)NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1(Cl)Cl ZINC000838670062 661052822 /nfs/dbraw/zinc/05/28/22/661052822.db2.gz JZXFYGLTBWLSAU-SJORKVTESA-N 1 0 386.323 2.507 20 0 GFADRO C[C@@H](NC(=O)c1ccc(I)c(F)c1)[C@H]1CCC[NH2+]C1 ZINC000269225539 655002216 /nfs/dbraw/zinc/00/22/16/655002216.db2.gz UNOQEBONCDSQNM-KOLCDFICSA-N 1 0 376.213 2.548 20 0 GFADRO C[C@@H]1CN(C(=O)c2nn(-c3ccc(F)cc3)cc2Br)CC[C@@H]1[NH3+] ZINC000269308881 655005076 /nfs/dbraw/zinc/00/50/76/655005076.db2.gz ZXBJATILRXFIHP-YGRLFVJLSA-N 1 0 381.249 2.583 20 0 GFADRO C[C@@H]1C[C@@H](N(C)S(=O)(=O)c2cc(F)ccc2Br)CC[N@@H+]1C ZINC000269341651 655006527 /nfs/dbraw/zinc/00/65/27/655006527.db2.gz GKOGDNIMFGQNDD-PWSUYJOCSA-N 1 0 379.295 2.691 20 0 GFADRO O=C(Nc1ccc(Br)cn1)[C@@H]1CCC[N@@H+](Cc2ccc(CO)o2)C1 ZINC000091842059 655010476 /nfs/dbraw/zinc/01/04/76/655010476.db2.gz BYNMFEZOPTWTFX-GFCCVEGCSA-N 1 0 394.269 2.780 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2ccc3nc(Cl)cnc3c2)[C@H](C)C1 ZINC000269474781 655010725 /nfs/dbraw/zinc/01/07/25/655010725.db2.gz CZJMRCHNEYFRJG-WBMJQRKESA-N 1 0 382.917 2.634 20 0 GFADRO C[NH+](C)Cc1ccc(CN[C@@H](C(N)=O)c2ccc(Br)cc2)cc1F ZINC000135299202 655013450 /nfs/dbraw/zinc/01/34/50/655013450.db2.gz RHQJPYQKSJWYDQ-QGZVFWFLSA-N 1 0 394.288 2.966 20 0 GFADRO C[NH+](C)[C@]1(CNC(=O)c2cc(F)c(F)cc2Br)CCSC1 ZINC000269660792 655016136 /nfs/dbraw/zinc/01/61/36/655016136.db2.gz QHBRLFVPGZQQEO-AWEZNQCLSA-N 1 0 379.270 2.894 20 0 GFADRO CCOc1cc(C[N@H+](C)CCN2CCOCC2)cc(Br)c1OC ZINC000092974826 655016221 /nfs/dbraw/zinc/01/62/21/655016221.db2.gz MRKNKEKDSDKSQQ-UHFFFAOYSA-N 1 0 387.318 2.620 20 0 GFADRO O=C(NC1CC[NH+](CC2(O)CCCCC2)CC1)c1ccc(Br)cn1 ZINC000135438919 655016915 /nfs/dbraw/zinc/01/69/15/655016915.db2.gz QMFAHZDNEYVLMB-UHFFFAOYSA-N 1 0 396.329 2.734 20 0 GFADRO CN(C[C@H](O)c1ccccc1Br)C(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000838763209 661056256 /nfs/dbraw/zinc/05/62/56/661056256.db2.gz CKGDYBBRNJMQFP-YOEHRIQHSA-N 1 0 398.345 2.856 20 0 GFADRO CC[NH+](CC)[C@H](CNC(=O)c1cnn2cc(Br)cnc12)CC(C)C ZINC000094134141 655028033 /nfs/dbraw/zinc/02/80/33/655028033.db2.gz LPLCNJUNWTWJPG-AWEZNQCLSA-N 1 0 396.333 2.978 20 0 GFADRO CC(C)Oc1cc(Br)ccc1C(=O)NCCC[NH+]1CCC(O)CC1 ZINC000136140442 655028110 /nfs/dbraw/zinc/02/81/10/655028110.db2.gz DPWFRPOISRUNBT-UHFFFAOYSA-N 1 0 399.329 2.813 20 0 GFADRO CC(C)[NH+](CCNC(=O)N[C@H](CO)c1cccc(Br)c1)C(C)C ZINC000136267461 655029105 /nfs/dbraw/zinc/02/91/05/655029105.db2.gz ZAKKHMQJNRAJEN-MRXNPFEDSA-N 1 0 386.334 2.901 20 0 GFADRO C[NH+](C)CCn1cc(NC(=O)COc2cc(Cl)cc(Cl)c2)ccc1=O ZINC000270041233 655032247 /nfs/dbraw/zinc/03/22/47/655032247.db2.gz ANBXYIUZYCGULG-UHFFFAOYSA-N 1 0 384.263 2.734 20 0 GFADRO C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)CN1CCOCC1 ZINC000136644654 655034114 /nfs/dbraw/zinc/03/41/14/655034114.db2.gz JMSXRIASVQFGLR-UHFFFAOYSA-N 1 0 388.339 2.606 20 0 GFADRO C[NH+]1CCC([C@@H]2CCN(S(=O)(=O)c3cnc(Cl)c(Cl)c3)C2)CC1 ZINC000270170719 655035928 /nfs/dbraw/zinc/03/59/28/655035928.db2.gz CNBUOTWOZXSTNX-GFCCVEGCSA-N 1 0 378.325 2.741 20 0 GFADRO COc1cc(Br)ccc1C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000136961095 655036990 /nfs/dbraw/zinc/03/69/90/655036990.db2.gz LKBPPOBGBAKUQA-CYBMUJFWSA-N 1 0 397.313 2.688 20 0 GFADRO C[C@H](C[C@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]CCS(=O)(=O)C(C)(C)C ZINC000138498112 655043135 /nfs/dbraw/zinc/04/31/35/655043135.db2.gz VQUGZAGRSZCWTP-HUUCEWRRSA-N 1 0 376.563 2.967 20 0 GFADRO CC[C@](C)(CC(=O)OC)[NH2+]CC(=O)NCCc1cccc(Cl)c1Cl ZINC000151572265 655052643 /nfs/dbraw/zinc/05/26/43/655052643.db2.gz RFDUTERYDLOKIS-QGZVFWFLSA-N 1 0 375.296 2.974 20 0 GFADRO CS[C@H]1CN(C(=O)c2ccc(NC(=O)N(C)C)cc2Cl)C[C@@H]1[NH+](C)C ZINC000271148056 655067971 /nfs/dbraw/zinc/06/79/71/655067971.db2.gz PXQZONMMAJLEIT-GJZGRUSLSA-N 1 0 384.933 2.551 20 0 GFADRO COCC[NH+]1CCC(NC(=O)Nc2cc(Br)cc(OC)c2)CC1 ZINC000271192735 655069484 /nfs/dbraw/zinc/06/94/84/655069484.db2.gz GZIOGMPJZCFMNZ-UHFFFAOYSA-N 1 0 386.290 2.690 20 0 GFADRO CCOc1ccc(Br)cc1CN(CCN1C(=O)CCC1=O)C1CC1 ZINC000103561777 655074397 /nfs/dbraw/zinc/07/43/97/655074397.db2.gz LBBCKWSNWOKULI-UHFFFAOYSA-N 1 0 395.297 2.961 20 0 GFADRO COCCc1nc(C)c([C@@H](C)[NH2+]Cc2ccc(NS(C)(=O)=O)cc2)s1 ZINC000271379928 655078690 /nfs/dbraw/zinc/07/86/90/655078690.db2.gz QTTUZUJMFVXMPX-GFCCVEGCSA-N 1 0 383.539 2.863 20 0 GFADRO C[N@@H+]1CC[C@@H](CNC(=O)CCc2nc(-c3cc(Br)cs3)no2)C1 ZINC000104186307 655079528 /nfs/dbraw/zinc/07/95/28/655079528.db2.gz RGSORTFDTDJRNM-JTQLQIEISA-N 1 0 399.314 2.561 20 0 GFADRO COc1ccc2c(c1)[C@@H]([NH2+]C[C@@H](O)CS(=O)(=O)c1cccs1)CCC2 ZINC000271535615 655084624 /nfs/dbraw/zinc/08/46/24/655084624.db2.gz RWGDSECGDIYGKR-PBHICJAKSA-N 1 0 381.519 2.559 20 0 GFADRO C[C@@H]([NH2+][C@@H]1CCN(c2cccc(Cl)c2)C1)c1cccc(S(N)(=O)=O)c1 ZINC000271774127 655094279 /nfs/dbraw/zinc/09/42/79/655094279.db2.gz UTDIHFPWFUSIEK-CZUORRHYSA-N 1 0 379.913 2.917 20 0 GFADRO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)NCC1=CC[N@H+](C)CC1 ZINC000271898347 655098133 /nfs/dbraw/zinc/09/81/33/655098133.db2.gz GDUUOMFAPLOYGR-UHFFFAOYSA-N 1 0 391.265 2.856 20 0 GFADRO Cc1cc(Br)ccc1C[NH2+][C@@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1 ZINC000271959643 655099492 /nfs/dbraw/zinc/09/94/92/655099492.db2.gz FPSKDYGATYPTJO-CVEARBPZSA-N 1 0 388.327 2.583 20 0 GFADRO O=S1(=O)CC[C@@]2(C1)C[C@@H]([NH2+]Cc1csc(-c3ccsc3)n1)CCO2 ZINC000271971153 655099715 /nfs/dbraw/zinc/09/97/15/655099715.db2.gz HTVADEDPOBVGOF-BBRMVZONSA-N 1 0 384.548 2.698 20 0 GFADRO O=S1(=O)CC[C@@]2(C1)C[C@@H]([NH2+]Cc1cnc(-c3ccccc3)s1)CCO2 ZINC000271978428 655100008 /nfs/dbraw/zinc/10/00/08/655100008.db2.gz JAUNMQZTFJLQOM-YJBOKZPZSA-N 1 0 378.519 2.636 20 0 GFADRO CCCCN(C(=O)C[NH2+][C@@H](C)c1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000271986651 655100191 /nfs/dbraw/zinc/10/01/91/655100191.db2.gz CPOQRWYAZSTRQC-YOEHRIQHSA-N 1 0 386.945 2.806 20 0 GFADRO CCCCN(C(=O)C[NH2+][C@@H](C)c1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000271986649 655100275 /nfs/dbraw/zinc/10/02/75/655100275.db2.gz CPOQRWYAZSTRQC-WMLDXEAASA-N 1 0 386.945 2.806 20 0 GFADRO [NH3+]C1CCN(C(=O)c2cc(I)cc(C(F)(F)F)c2)CC1 ZINC000157638334 655101633 /nfs/dbraw/zinc/10/16/33/655101633.db2.gz XSAKGZMWNDKMTC-UHFFFAOYSA-N 1 0 398.166 2.873 20 0 GFADRO C[NH+](C)[C@@H]1Cc2ccccc2N(Cn2cc(Br)c([N+](=O)[O-])n2)C1 ZINC000158511244 655107359 /nfs/dbraw/zinc/10/73/59/655107359.db2.gz ZNLRRRXJQATXJK-GFCCVEGCSA-N 1 0 380.246 2.504 20 0 GFADRO Brc1ccc2c(c1)C=C(C[NH2+]C[C@H]1CN(C3CC3)CCO1)CO2 ZINC000106380408 655107534 /nfs/dbraw/zinc/10/75/34/655107534.db2.gz JMZJPOGFVZBHNT-KRWDZBQOSA-N 1 0 379.298 2.678 20 0 GFADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)Nc3ccc(I)cc3)[C@H]2C1 ZINC000272343762 655109510 /nfs/dbraw/zinc/10/95/10/655109510.db2.gz ZERQVXFDCINULH-RISCZKNCSA-N 1 0 385.249 2.849 20 0 GFADRO C[N@@H+]1CC[C@H]2CCN(C(=O)c3cnn(-c4ccc(Br)cc4)c3)[C@H]2C1 ZINC000272369324 655110316 /nfs/dbraw/zinc/11/03/16/655110316.db2.gz AOLPHPXPKDRQDD-GUYCJALGSA-N 1 0 389.297 2.801 20 0 GFADRO O=C(NCCCCC[NH+]1CCCCC1)C(=O)Nc1ccc(Br)nc1 ZINC000159295188 655112742 /nfs/dbraw/zinc/11/27/42/655112742.db2.gz WDTJVHHIFIFOHB-UHFFFAOYSA-N 1 0 397.317 2.555 20 0 GFADRO CC(C)[C@H](C(=O)NCCc1ccc(I)s1)[NH+](C)C ZINC000106915708 655114769 /nfs/dbraw/zinc/11/47/69/655114769.db2.gz QQDLHGDQDHBFIY-GFCCVEGCSA-N 1 0 380.295 2.598 20 0 GFADRO CC[N@@H+]1CC[C@H](CNC(=O)c2cnn(-c3cccc(Br)c3)c2)C1 ZINC000106927280 655115107 /nfs/dbraw/zinc/11/51/07/655115107.db2.gz IUQXZJUUDGWXBD-CYBMUJFWSA-N 1 0 377.286 2.706 20 0 GFADRO C[C@H](NC(=O)Cn1cc(Br)cn1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272521050 655115549 /nfs/dbraw/zinc/11/55/49/655115549.db2.gz PXGQFKMJIMAWDH-HOCLYGCPSA-N 1 0 391.313 2.672 20 0 GFADRO C[C@@H]([NH2+]C1CCN(CCS(C)(=O)=O)CC1)c1ccccc1C(F)(F)F ZINC000159953733 655117881 /nfs/dbraw/zinc/11/78/81/655117881.db2.gz QBFWDISXUDGMCX-CYBMUJFWSA-N 1 0 378.460 2.865 20 0 GFADRO C[C@H]([NH2+]C1CCN(CCS(C)(=O)=O)CC1)c1ccccc1C(F)(F)F ZINC000159953594 655117956 /nfs/dbraw/zinc/11/79/56/655117956.db2.gz QBFWDISXUDGMCX-ZDUSSCGKSA-N 1 0 378.460 2.865 20 0 GFADRO COC(=O)c1ccc(C[NH2+]CCC(=O)Nc2cc(Br)ccc2C)[nH]1 ZINC000272760043 655120833 /nfs/dbraw/zinc/12/08/33/655120833.db2.gz PXADYGLDTKKKEC-UHFFFAOYSA-N 1 0 394.269 2.991 20 0 GFADRO Cc1cccc(C(=O)N[C@H](C)C2=CC[N@H+](C)CC2)c1I ZINC000272794835 655121519 /nfs/dbraw/zinc/12/15/19/655121519.db2.gz UEMCWOQYHVGOOW-GFCCVEGCSA-N 1 0 384.261 2.980 20 0 GFADRO C[NH+](C)C[C@H]1CCCCN1C(=O)c1csc(I)c1 ZINC000107592913 655122631 /nfs/dbraw/zinc/12/26/31/655122631.db2.gz IISVPIXRJUIOHF-LLVKDONJSA-N 1 0 378.279 2.909 20 0 GFADRO Cc1cc(NC(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)cnc1Br ZINC000272851461 655123457 /nfs/dbraw/zinc/12/34/57/655123457.db2.gz NSBNCUITWJTGMK-HUUCEWRRSA-N 1 0 397.317 2.652 20 0 GFADRO COC(=O)CC1([NH2+]Cc2cnc3c(C)cc(Br)cn23)CCOCC1 ZINC000273047196 655128596 /nfs/dbraw/zinc/12/85/96/655128596.db2.gz FVGNZXBLQZWJOR-UHFFFAOYSA-N 1 0 396.285 2.607 20 0 GFADRO O=C(NC[C@@H]1CC[NH2+]C1)c1cccnc1Oc1ccc(Br)cc1 ZINC000273075873 655129677 /nfs/dbraw/zinc/12/96/77/655129677.db2.gz WLONWOYPDJJXRR-GFCCVEGCSA-N 1 0 376.254 2.976 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)Nc2nc3cc(Br)ccn3n2)C1 ZINC000839413739 661083089 /nfs/dbraw/zinc/08/30/89/661083089.db2.gz RQUSBYZVLAFLJM-OAHLLOKOSA-N 1 0 384.253 2.643 20 0 GFADRO CN(C1CC[NH+](CCCc2ccccc2Br)CC1)S(C)(=O)=O ZINC000273315017 655138930 /nfs/dbraw/zinc/13/89/30/655138930.db2.gz JEJTVALMVDLXJJ-UHFFFAOYSA-N 1 0 389.359 2.738 20 0 GFADRO C[C@@H](C1CC[NH+](C)CC1)N(C)S(=O)(=O)N(C)Cc1c(F)cccc1Cl ZINC000273409476 655142271 /nfs/dbraw/zinc/14/22/71/655142271.db2.gz IHHVUPOTFZAZAT-ZDUSSCGKSA-N 1 0 391.940 2.818 20 0 GFADRO COc1ccc([C@@H](C)[NH2+]C2CCN(S(=O)(=O)C(F)(F)F)CC2)cc1F ZINC000168068092 655143052 /nfs/dbraw/zinc/14/30/52/655143052.db2.gz VHFCYEBAYYSVCS-SNVBAGLBSA-N 1 0 384.395 2.799 20 0 GFADRO C[C@H](C1CC[NH+](C)CC1)N(C)S(=O)(=O)c1ccc(OCC(F)F)cc1 ZINC000273550713 655147684 /nfs/dbraw/zinc/14/76/84/655147684.db2.gz VUYFJHVTVPETDO-CYBMUJFWSA-N 1 0 376.469 2.681 20 0 GFADRO C[C@H](NC(=O)CN1CC[C@H]([NH+]2CCCC2)C1)c1ccc(Br)cc1 ZINC000110633191 655157769 /nfs/dbraw/zinc/15/77/69/655157769.db2.gz ZBFHCBQLSPQHSN-YOEHRIQHSA-N 1 0 380.330 2.796 20 0 GFADRO CCOC(=O)N1CCC[N@H+](CCC(=O)Nc2cccc(Br)c2)CC1 ZINC000172416811 655157898 /nfs/dbraw/zinc/15/78/98/655157898.db2.gz CPUANJXHLNHHND-UHFFFAOYSA-N 1 0 398.301 2.942 20 0 GFADRO O=S(=O)(/C=C/c1cccc(Br)c1)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000173022499 655162066 /nfs/dbraw/zinc/16/20/66/655162066.db2.gz NHLDKUNRCURLDB-RCQQVGEISA-N 1 0 385.327 2.824 20 0 GFADRO C[NH+]1CCN([C@H]2CCCCN(C(=O)c3ccc(F)cc3Br)C2)CC1 ZINC000173276926 655166912 /nfs/dbraw/zinc/16/69/12/655166912.db2.gz RUDNKFZPMYQQRK-HNNXBMFYSA-N 1 0 398.320 2.830 20 0 GFADRO C[C@H](O)C1CC[NH+](C[C@H](O)COc2ccc(Cl)cc2Br)CC1 ZINC000111284402 655167564 /nfs/dbraw/zinc/16/75/64/655167564.db2.gz SNCBWAHPNUSZIP-FZMZJTMJSA-N 1 0 392.721 2.935 20 0 GFADRO Brc1cccc(-c2c[nH]c(C[NH2+]C[C@@H]3CN(C4CC4)CCO3)n2)c1 ZINC000111384272 655172524 /nfs/dbraw/zinc/17/25/24/655172524.db2.gz IEQOMOUJUOEUFV-MRXNPFEDSA-N 1 0 391.313 2.792 20 0 GFADRO CC(C)[N@H+](C)CCNC(=O)N[C@H]1CCN(c2ccccc2Br)C1 ZINC000111494191 655173316 /nfs/dbraw/zinc/17/33/16/655173316.db2.gz XVODKDGFHATNCO-AWEZNQCLSA-N 1 0 383.334 2.667 20 0 GFADRO CC(C)(C[NH2+]C1CC(c2cccc(Br)c2)C1)NS(C)(=O)=O ZINC000111771821 655177170 /nfs/dbraw/zinc/17/71/70/655177170.db2.gz MPCLWEFPUIZEEX-UHFFFAOYSA-N 1 0 375.332 2.613 20 0 GFADRO CCOc1ccc(Br)cc1S(=O)(=O)NC(CC)(CC)C[NH3+] ZINC000111832456 655177678 /nfs/dbraw/zinc/17/76/78/655177678.db2.gz CLMICBIEWOXPPL-UHFFFAOYSA-N 1 0 379.320 2.644 20 0 GFADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H]1CCc2c1cccc2Br ZINC000111853875 655178290 /nfs/dbraw/zinc/17/82/90/655178290.db2.gz YDFBKGSLZOCRAP-CXAGYDPISA-N 1 0 396.329 2.846 20 0 GFADRO Cc1cc(Br)ccc1CNC(=O)N[C@@H](C)[C@H](C)N1CCOCC1 ZINC000111858482 655178308 /nfs/dbraw/zinc/17/83/08/655178308.db2.gz QLKIATPQDWUXNG-KBPBESRZSA-N 1 0 384.318 2.666 20 0 GFADRO C[NH+](C)[C@@H]1CCCN(C(=O)N[C@@H]2CCN(c3ccccc3Br)C2)C1 ZINC000111896769 655178770 /nfs/dbraw/zinc/17/87/70/655178770.db2.gz SLADOLCNMGDKFB-HUUCEWRRSA-N 1 0 395.345 2.763 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(Cc2csc(CS(C)(=O)=O)n2)C1 ZINC000173748166 655179472 /nfs/dbraw/zinc/17/94/72/655179472.db2.gz DWUIMLHMSJSYLC-HZPDHXFCSA-N 1 0 385.599 2.774 20 0 GFADRO CC[NH+](CC)C[C@H]1CCN([C@H](C(N)=O)c2ccc(Br)cc2F)C1 ZINC000173788617 655181218 /nfs/dbraw/zinc/18/12/18/655181218.db2.gz VKFKUQICDBKXRB-WBMJQRKESA-N 1 0 386.309 2.778 20 0 GFADRO C[NH+](C)CCn1ccc(NC(=O)NCc2cc(F)cc(Br)c2)n1 ZINC000173913299 655185040 /nfs/dbraw/zinc/18/50/40/655185040.db2.gz BENKRJALUGPPMY-UHFFFAOYSA-N 1 0 384.253 2.668 20 0 GFADRO C[NH+](C)CCn1ccc(NC(=O)NC[C@@H](O)c2c(Cl)cccc2Cl)n1 ZINC000173928290 655186006 /nfs/dbraw/zinc/18/60/06/655186006.db2.gz IZFMDGDIAGIIMS-CYBMUJFWSA-N 1 0 386.283 2.607 20 0 GFADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)N(C)Cc1cccc(Br)c1 ZINC000274459679 655189405 /nfs/dbraw/zinc/18/94/05/655189405.db2.gz BOPOIBJECBCGOB-HNNXBMFYSA-N 1 0 397.361 2.617 20 0 GFADRO C[C@H](Cn1cncn1)[NH2+]Cc1cc(Br)cc(Br)c1N ZINC000274531970 655192207 /nfs/dbraw/zinc/19/22/07/655192207.db2.gz ANXDAXGODWBOMG-MRVPVSSYSA-N 1 0 389.095 2.564 20 0 GFADRO CC(C)Oc1cc(Br)cc(C(=O)NCCC[NH+]2CCC(O)CC2)c1 ZINC000174253368 655195559 /nfs/dbraw/zinc/19/55/59/655195559.db2.gz SGMGMMXPSHJPOS-UHFFFAOYSA-N 1 0 399.329 2.813 20 0 GFADRO COc1ccc(CNC(=O)N2CC[C@H]([NH+]3CC=CC3)C2)cc1Br ZINC000174572158 655203973 /nfs/dbraw/zinc/20/39/73/655203973.db2.gz BWIJXMSNYDUZBX-AWEZNQCLSA-N 1 0 380.286 2.613 20 0 GFADRO CS[C@H]1CN(C(=O)c2ccc(C)nc2Br)C[C@H]1[NH+]1CCCC1 ZINC000274854022 655204491 /nfs/dbraw/zinc/20/44/91/655204491.db2.gz BJNFZALXRBHBPE-KGLIPLIRSA-N 1 0 384.343 2.804 20 0 GFADRO CN(C)c1ncc(Br)cc1C(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000113185632 655204673 /nfs/dbraw/zinc/20/46/73/655204673.db2.gz VDLSOYBGEXKZLJ-UHFFFAOYSA-N 1 0 383.334 2.714 20 0 GFADRO O=C(Nc1ccc(Br)c(F)c1)C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000174720239 655206651 /nfs/dbraw/zinc/20/66/51/655206651.db2.gz KDAKABHQTHRZJK-UHFFFAOYSA-N 1 0 398.276 2.614 20 0 GFADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N[C@H]1CCc2c1ccc(Cl)c2Cl ZINC000113408780 655209860 /nfs/dbraw/zinc/20/98/60/655209860.db2.gz JHMBPWHFNIPCRC-LRDDRELGSA-N 1 0 385.339 2.916 20 0 GFADRO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1cc(Br)cnc1N(C)C ZINC000113413591 655210101 /nfs/dbraw/zinc/21/01/01/655210101.db2.gz XBJRNIKRIDZFFF-ZDUSSCGKSA-N 1 0 383.334 2.904 20 0 GFADRO C[NH+](C)C[C@@H]1CCN(Cc2noc(Cc3ccc(Br)cc3)n2)C1 ZINC000113514752 655211745 /nfs/dbraw/zinc/21/17/45/655211745.db2.gz XRBDTPOJPNKNIR-AWEZNQCLSA-N 1 0 379.302 2.806 20 0 GFADRO CSC[C@@H](O)C[NH+]1CCC(C(=O)Nc2cccc(Br)c2)CC1 ZINC000275050850 655213959 /nfs/dbraw/zinc/21/39/59/655213959.db2.gz VUBYCIUBOKZOEP-HNNXBMFYSA-N 1 0 387.343 2.824 20 0 GFADRO C[C@H](C(=O)Nc1ccc(Cl)cc1)[N@@H+]1CC[C@@H](C(=O)NCC(F)(F)F)C1 ZINC000275074117 655215144 /nfs/dbraw/zinc/21/51/44/655215144.db2.gz BIMXKBCMVUIFDU-GHMZBOCLSA-N 1 0 377.794 2.667 20 0 GFADRO CC[NH+](CC)[C@@H]1CCN(S(=O)(=O)c2cc(OC)ccc2Br)C1 ZINC000175316329 655220326 /nfs/dbraw/zinc/22/03/26/655220326.db2.gz DXPJKGLXWPQMLM-GFCCVEGCSA-N 1 0 391.331 2.563 20 0 GFADRO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)c1csc(NC(C)=O)n1 ZINC000175514947 655221920 /nfs/dbraw/zinc/22/19/20/655221920.db2.gz IYKILYAIIXDQBW-UHFFFAOYSA-N 1 0 380.436 2.838 20 0 GFADRO CN(C)CC[NH+]1CCC(CNC(=O)c2ccc(Br)c(F)c2)CC1 ZINC000114382699 655223049 /nfs/dbraw/zinc/22/30/49/655223049.db2.gz SMDMQYOHOBEBGQ-UHFFFAOYSA-N 1 0 386.309 2.592 20 0 GFADRO CN(C)C(=O)C(C)(C)[NH2+]CCCOc1cccc(I)c1 ZINC000114457821 655224590 /nfs/dbraw/zinc/22/45/90/655224590.db2.gz SHGWGQJHXWVBKE-UHFFFAOYSA-N 1 0 390.265 2.517 20 0 GFADRO C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)Nc1c(F)cccc1Br ZINC000176074040 655234014 /nfs/dbraw/zinc/23/40/14/655234014.db2.gz TVLFACWKWNQRFN-LLVKDONJSA-N 1 0 386.265 2.517 20 0 GFADRO O=C(NCc1ccc(C[NH+]2CCC(O)CC2)cc1)c1occc1Br ZINC000176075590 655234211 /nfs/dbraw/zinc/23/42/11/655234211.db2.gz SXENHXNIDGLTON-UHFFFAOYSA-N 1 0 393.281 2.929 20 0 GFADRO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1cc(I)c[nH]1 ZINC000115319628 655234905 /nfs/dbraw/zinc/23/49/05/655234905.db2.gz QYBGDOWEUFNWHQ-NSHDSACASA-N 1 0 375.254 2.614 20 0 GFADRO C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000115432714 655237290 /nfs/dbraw/zinc/23/72/90/655237290.db2.gz LLOAEMKTGTZSSZ-CHWSQXEVSA-N 1 0 386.323 2.912 20 0 GFADRO COc1cc(C[NH2+][C@H]2CCO[C@@H]2c2nccn2C)cc(Br)c1O ZINC000275527134 655240287 /nfs/dbraw/zinc/24/02/87/655240287.db2.gz LNIJZQODZZEDOY-WFASDCNBSA-N 1 0 382.258 2.517 20 0 GFADRO CSc1nnc(CNC(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)s1 ZINC000275544250 655240937 /nfs/dbraw/zinc/24/09/37/655240937.db2.gz ZMOLUIJXPWCGME-GXTWGEPZSA-N 1 0 377.539 2.580 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)C(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000275629232 655244485 /nfs/dbraw/zinc/24/44/85/655244485.db2.gz BUKGQUNVTOEPOX-ZDUSSCGKSA-N 1 0 396.329 2.750 20 0 GFADRO CSc1nnc(CNC(=O)NC[C@H](C)[N@@H+]2CCc3ccccc3C2)s1 ZINC000275632791 655244890 /nfs/dbraw/zinc/24/48/90/655244890.db2.gz QVASIIRTVPJMDE-LBPRGKRZSA-N 1 0 377.539 2.506 20 0 GFADRO C[NH+](C)C1(CNC(=O)c2cc(F)c(F)cc2I)CCC1 ZINC000275690186 655247088 /nfs/dbraw/zinc/24/70/88/655247088.db2.gz APVCKWSUMNTUAL-UHFFFAOYSA-N 1 0 394.203 2.784 20 0 GFADRO COc1ccc(Br)cc1NC(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000176911226 655260889 /nfs/dbraw/zinc/26/08/89/655260889.db2.gz BZYLMRZJCSJJJW-CYBMUJFWSA-N 1 0 398.301 2.644 20 0 GFADRO Cc1cc(S(=O)(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)sc1Br ZINC000176935903 655262606 /nfs/dbraw/zinc/26/26/06/655262606.db2.gz KFPVJYMGIGJKOL-WDEREUQCSA-N 1 0 381.361 2.780 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000276107279 655262798 /nfs/dbraw/zinc/26/27/98/655262798.db2.gz RBCIIOAHKWJDHJ-WFASDCNBSA-N 1 0 396.329 2.891 20 0 GFADRO C[C@H]1C[C@@H](NC(=O)c2ccn(-c3cccc(Br)c3)n2)C[N@@H+]1C1CC1 ZINC000177074207 655267307 /nfs/dbraw/zinc/26/73/07/655267307.db2.gz HDTSCWYSGHMHCI-GXTWGEPZSA-N 1 0 389.297 2.990 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)/C=C/c2ccc(I)o2)C[N@@H+]1C1CC1 ZINC000177082707 655267479 /nfs/dbraw/zinc/26/74/79/655267479.db2.gz XCNBHYWNVFOAEC-HOGLGZINSA-N 1 0 386.233 2.639 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)c1nn(-c2ccc(F)cc2)cc1Br)C1CC1 ZINC000117760471 655267770 /nfs/dbraw/zinc/26/77/70/655267770.db2.gz GEGBTJBGHZXBJU-HNNXBMFYSA-N 1 0 395.276 2.844 20 0 GFADRO C[N@@H+]1CCC[C@H]1CNC(=O)c1nn(-c2ccc(F)cc2)cc1Br ZINC000117803504 655268022 /nfs/dbraw/zinc/26/80/22/655268022.db2.gz NMBLDXLVTNVLQU-ZDUSSCGKSA-N 1 0 381.249 2.598 20 0 GFADRO CC(C)n1cc(Br)cc1C(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000177140140 655269817 /nfs/dbraw/zinc/26/98/17/655269817.db2.gz RBRJVKFGDVWMQF-UHFFFAOYSA-N 1 0 385.350 2.587 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(Br)cc1Cl ZINC000118096053 655271634 /nfs/dbraw/zinc/27/16/34/655271634.db2.gz QNXJVIRLSXOMQZ-NSHDSACASA-N 1 0 388.693 2.642 20 0 GFADRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(=O)Nc2ccccc2Br)C1 ZINC000118111419 655271885 /nfs/dbraw/zinc/27/18/85/655271885.db2.gz GBPBJPAGBPYTIO-ZDUSSCGKSA-N 1 0 382.302 2.624 20 0 GFADRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)Nc1ccc(C)c(Br)c1 ZINC000118126393 655272097 /nfs/dbraw/zinc/27/20/97/655272097.db2.gz QPNUZHXWEDYZDI-CQSZACIVSA-N 1 0 382.302 2.687 20 0 GFADRO CC[N@H+](CCNC(=O)C(=O)Nc1ccccc1SC(F)(F)F)C1CC1 ZINC000118120772 655272130 /nfs/dbraw/zinc/27/21/30/655272130.db2.gz WUBSAIRLTJRHDZ-UHFFFAOYSA-N 1 0 375.416 2.838 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000118132031 655272535 /nfs/dbraw/zinc/27/25/35/655272535.db2.gz LNMPAMKPJZCAEU-UHFFFAOYSA-N 1 0 396.329 2.995 20 0 GFADRO C[C@@H](CNC(=O)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[N@H+](C)C1CC1 ZINC000118131009 655272548 /nfs/dbraw/zinc/27/25/48/655272548.db2.gz QECSOVFXVCIVHO-VIFPVBQESA-N 1 0 377.794 2.896 20 0 GFADRO CN(Cc1cccc(Br)c1OCC(C)(C)O)C(=O)/C=C/C[NH+](C)C ZINC000276388481 655273589 /nfs/dbraw/zinc/27/35/89/655273589.db2.gz RDCXMVIVYIXEGW-JXMROGBWSA-N 1 0 399.329 2.675 20 0 GFADRO C[C@@H](O)C[N@@H+]1CCN(C(=O)Nc2ccc(OC(F)F)c(Cl)c2)C[C@@H]1C ZINC000177509351 655278336 /nfs/dbraw/zinc/27/83/36/655278336.db2.gz CJPMBVMRIRGHBY-WDEREUQCSA-N 1 0 377.819 2.860 20 0 GFADRO C[NH+](C)C[C@H]1CCCN1C(=O)c1nc(Br)ccc1Br ZINC000276579061 655279868 /nfs/dbraw/zinc/27/98/68/655279868.db2.gz GKMHMTTXQRRWLA-SECBINFHSA-N 1 0 391.107 2.773 20 0 GFADRO CCN1CC[NH+](C[C@H](C)CNC(=O)Nc2cccc(Br)c2)CC1 ZINC000118786777 655282232 /nfs/dbraw/zinc/28/22/32/655282232.db2.gz RWQSAEDLTVRANW-CQSZACIVSA-N 1 0 383.334 2.844 20 0 GFADRO COc1cc(Br)c(NC(=O)N2CC[C@@H](C[NH+](C)C)C2)cc1OC ZINC000118810758 655282454 /nfs/dbraw/zinc/28/24/54/655282454.db2.gz APZSMHHBCOAFJB-NSHDSACASA-N 1 0 386.290 2.882 20 0 GFADRO C[NH+](C)CC(C)(C)CNC(=O)C(=O)Nc1ccccc1SC(F)(F)F ZINC000118897042 655283086 /nfs/dbraw/zinc/28/30/86/655283086.db2.gz ZTQXRDKTEKTGNO-UHFFFAOYSA-N 1 0 377.432 2.941 20 0 GFADRO CS[C@H](CO)[C@@H](C)NC(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000118963339 655284647 /nfs/dbraw/zinc/28/46/47/655284647.db2.gz QKFKUAFTXOGGAY-BFYDXBDKSA-N 1 0 385.599 2.933 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)Nc2ccc(Br)cc2F)C1 ZINC000178002508 655294895 /nfs/dbraw/zinc/29/48/95/655294895.db2.gz WRUZVAFEWJIJGA-NWDGAFQWSA-N 1 0 386.265 2.516 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)Nc2ccc(F)cc2Br)C1 ZINC000178005974 655295134 /nfs/dbraw/zinc/29/51/34/655295134.db2.gz KDATWLNKBKJIBZ-NWDGAFQWSA-N 1 0 386.265 2.516 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)Nc2cc(Br)ccc2F)C1 ZINC000178009862 655295169 /nfs/dbraw/zinc/29/51/69/655295169.db2.gz AFRSFFXPCMODFJ-NWDGAFQWSA-N 1 0 386.265 2.516 20 0 GFADRO CN1C(=O)C[C@H]([NH2+][C@@H]2CCC[C@H](S(C)(=O)=O)C2)[C@@H]1c1ccc(Cl)cc1 ZINC000276963294 655295399 /nfs/dbraw/zinc/29/53/99/655295399.db2.gz QHOQMNMLHLWDDZ-CVYDXHPNSA-N 1 0 384.929 2.557 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)Cc2ccccc2I)C1 ZINC000119312944 655298125 /nfs/dbraw/zinc/29/81/25/655298125.db2.gz RANOQLZCUASRFU-UONOGXRCSA-N 1 0 386.277 2.823 20 0 GFADRO C[NH+]1CCC(O)(CNC(=O)Nc2cc3ccccc3nc2Br)CC1 ZINC000277015742 655298430 /nfs/dbraw/zinc/29/84/30/655298430.db2.gz BYUBEKYUPMFVRY-UHFFFAOYSA-N 1 0 393.285 2.576 20 0 GFADRO C[C@@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH2+]CCS(C)(=O)=O ZINC000178136303 655298419 /nfs/dbraw/zinc/29/84/19/655298419.db2.gz GXRGFEBCZMPSRD-VIFPVBQESA-N 1 0 386.823 2.710 20 0 GFADRO CCN(CC)S(=O)(=O)c1ccc(CC[NH2+][C@H]2C[C@H](C)N(C3CC3)C2)s1 ZINC000119379830 655301716 /nfs/dbraw/zinc/30/17/16/655301716.db2.gz CJORZQNAEMNPKC-GJZGRUSLSA-N 1 0 385.599 2.536 20 0 GFADRO COC(=O)C1CCC([NH2+]C[C@@H](CO)Cc2ccccc2Br)CC1 ZINC000277145287 655305343 /nfs/dbraw/zinc/30/53/43/655305343.db2.gz PREZLRAVNRNICU-HLIUYOAVSA-N 1 0 384.314 2.922 20 0 GFADRO C[C@H]([NH3+])CCNC(=O)c1nn(-c2ccc(Br)cc2)c2c1CCCC2 ZINC000178627893 655306347 /nfs/dbraw/zinc/30/63/47/655306347.db2.gz ZYMPVKDGZRTWNC-LBPRGKRZSA-N 1 0 391.313 2.981 20 0 GFADRO C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CCN1CCOC(C)(C)C1 ZINC000178759622 655309647 /nfs/dbraw/zinc/30/96/47/655309647.db2.gz HJRGQSFDIFFVLD-AWEZNQCLSA-N 1 0 398.345 2.867 20 0 GFADRO COC(=O)c1cc(NC(=O)N2CCC[N@H+](C)CC2)cc(Br)c1F ZINC000277311567 655312331 /nfs/dbraw/zinc/31/23/31/655312331.db2.gz CYBSJJSDRZXJJA-UHFFFAOYSA-N 1 0 388.237 2.544 20 0 GFADRO C[N@H+](CCCO)C1CCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000119714789 655312340 /nfs/dbraw/zinc/31/23/40/655312340.db2.gz SJKQMKJZKRIXQB-UHFFFAOYSA-N 1 0 395.352 2.602 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2cc(C)ccc2Br)[C@H](C)C1 ZINC000119727846 655312674 /nfs/dbraw/zinc/31/26/74/655312674.db2.gz NYLOGPDYBYNALB-CZUORRHYSA-N 1 0 396.329 2.885 20 0 GFADRO COC(=O)c1ccc(C[NH2+]C[C@@H](CO)Cc2ccccc2Br)[nH]1 ZINC000277355574 655314392 /nfs/dbraw/zinc/31/43/92/655314392.db2.gz DQLFUFXQQADVOA-LBPRGKRZSA-N 1 0 381.270 2.505 20 0 GFADRO Cc1nc(Br)ccc1NC(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000277429786 655318979 /nfs/dbraw/zinc/31/89/79/655318979.db2.gz KQUPSAMTTGDTGF-GFCCVEGCSA-N 1 0 385.306 2.775 20 0 GFADRO CS(=O)(=O)N1CC[C@@H](C[NH2+]CC2=Cc3cc(Cl)cc(Cl)c3OC2)C1 ZINC000119957301 655322702 /nfs/dbraw/zinc/32/27/02/655322702.db2.gz ZMVXCQZMLBYONP-NSHDSACASA-N 1 0 391.320 2.640 20 0 GFADRO Cc1c(Br)cc(C(=O)N2CCC[N@@H+](C3CCCC3)CC2)c(=O)n1C ZINC000277512872 655323893 /nfs/dbraw/zinc/32/38/93/655323893.db2.gz UKXZPCSDSKHGRZ-UHFFFAOYSA-N 1 0 396.329 2.547 20 0 GFADRO CC[C@@H](C)[N@H+](C)CCNS(=O)(=O)c1ccc(Br)c(C(C)=O)c1 ZINC000180268368 655324857 /nfs/dbraw/zinc/32/48/57/655324857.db2.gz OEJKJWIGFLBWRO-LLVKDONJSA-N 1 0 391.331 2.660 20 0 GFADRO CC[N@H+](CCCOC(=O)NC(N)=O)Cc1cc(Br)ccc1F ZINC000180450818 655326867 /nfs/dbraw/zinc/32/68/67/655326867.db2.gz FPQXCTSCQLZMJF-UHFFFAOYSA-N 1 0 376.226 2.605 20 0 GFADRO O=C(NCC[NH+]1CCCCCC1)C(=O)Nc1cc(Br)ccc1F ZINC000120078150 655326985 /nfs/dbraw/zinc/32/69/85/655326985.db2.gz QDSVGHUUUFVAPN-UHFFFAOYSA-N 1 0 386.265 2.519 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)c1cc(I)c(F)cc1F)C1CC1 ZINC000120106144 655327926 /nfs/dbraw/zinc/32/79/26/655327926.db2.gz RIVBSNPQZQWCAE-ZDUSSCGKSA-N 1 0 394.203 2.639 20 0 GFADRO CSc1ccc(NC(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cc1Cl ZINC000120437728 655335763 /nfs/dbraw/zinc/33/57/63/655335763.db2.gz OEVOGFNETGVPIM-DOMZBBRYSA-N 1 0 381.929 2.943 20 0 GFADRO CN(C)C(=O)c1ccc(C[NH2+]C(C)(C)COc2ncccc2Br)[nH]1 ZINC000120439419 655335965 /nfs/dbraw/zinc/33/59/65/655335965.db2.gz OURIBKQRYBAGOI-UHFFFAOYSA-N 1 0 395.301 2.821 20 0 GFADRO CCC1(CC)[C@@H]([NH2+]CC2CCN(S(=O)(=O)C(F)(F)F)CC2)C[C@@H]1OC ZINC000181741604 655339959 /nfs/dbraw/zinc/33/99/59/655339959.db2.gz WVZVLYXFHNARPS-KBPBESRZSA-N 1 0 386.480 2.731 20 0 GFADRO Cc1cc(C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)ccc1Br ZINC000120682081 655342184 /nfs/dbraw/zinc/34/21/84/655342184.db2.gz RRPQYGGEIGNVLK-OAHLLOKOSA-N 1 0 381.314 2.942 20 0 GFADRO C[C@@H](Cc1c(Cl)cccc1Cl)NC(=O)N[C@@H](C)CN1CC[NH+](C)CC1 ZINC000120707692 655342741 /nfs/dbraw/zinc/34/27/41/655342741.db2.gz BMRGQHMOYVSLGT-KBPBESRZSA-N 1 0 387.355 2.860 20 0 GFADRO Cc1cnc(NC(=O)C(=O)Nc2ccc(OCC[NH+](C)C)c(Cl)c2)s1 ZINC000120813910 655344329 /nfs/dbraw/zinc/34/43/29/655344329.db2.gz QRBZPAXVPWZNTB-UHFFFAOYSA-N 1 0 382.873 2.623 20 0 GFADRO O=C(C[C@@H]1Sc2ccc(Cl)cc2NC1=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000289319933 655346486 /nfs/dbraw/zinc/34/64/86/655346486.db2.gz UNQIBMUTHMZJHO-YJBOKZPZSA-N 1 0 379.913 2.745 20 0 GFADRO C[C@H]1C[NH+](CCCNC(=O)c2cc(Cl)ncc2Br)C[C@H](C)O1 ZINC000289337608 655346870 /nfs/dbraw/zinc/34/68/70/655346870.db2.gz FKQIMUQOIXQDPJ-QWRGUYRKSA-N 1 0 390.709 2.727 20 0 GFADRO C[C@H]1C[C@@H](C(=O)N[C@@H]2CCN(c3ccc(Br)cc3)C2)CC[N@@H+]1C ZINC000290249594 655349704 /nfs/dbraw/zinc/34/97/04/655349704.db2.gz CQMTXQHKPRCMRB-OFQRWUPVSA-N 1 0 380.330 2.874 20 0 GFADRO O=C1[C@H](c2cccc(Br)c2)CCN1CN1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000840012077 661124474 /nfs/dbraw/zinc/12/44/74/661124474.db2.gz RGKKLPDFJMPBSH-MSOLQXFVSA-N 1 0 390.325 2.669 20 0 GFADRO C[C@@H](CNc1cnn(-c2ccccn2)c(=O)c1Br)C[NH+]1CCCC1 ZINC000292633386 655352979 /nfs/dbraw/zinc/35/29/79/655352979.db2.gz BDAHLLNQFMFUCI-ZDUSSCGKSA-N 1 0 392.301 2.534 20 0 GFADRO CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NS(=O)(=O)c1ncn(C)c1Cl ZINC000184333457 655357003 /nfs/dbraw/zinc/35/70/03/655357003.db2.gz FEORNFBAPQVRTP-HNNXBMFYSA-N 1 0 384.933 2.508 20 0 GFADRO C[N@@H+]1CC[C@]2(CCN(C(=O)Nc3ccc(I)cc3)C2)C1 ZINC000292936689 655357515 /nfs/dbraw/zinc/35/75/15/655357515.db2.gz ZIIKFQJODJYUQO-HNNXBMFYSA-N 1 0 385.249 2.851 20 0 GFADRO C[C@H]([NH2+]C1(Cc2ccc(F)cc2Br)CCOCC1)C(=O)NC1CC1 ZINC000293612155 655359912 /nfs/dbraw/zinc/35/99/12/655359912.db2.gz PSAYHCGZQGYIHI-LBPRGKRZSA-N 1 0 399.304 2.937 20 0 GFADRO CON(C)C(=O)[C@H](CCSC)[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000186118848 655367848 /nfs/dbraw/zinc/36/78/48/655367848.db2.gz XNTLUGLALKGNRV-GWCFXTLKSA-N 1 0 391.331 2.947 20 0 GFADRO CCC[C@@H](C[NH2+][C@H](C)c1ccc(Br)c(S(N)(=O)=O)c1)OC ZINC000297409231 655370498 /nfs/dbraw/zinc/37/04/98/655370498.db2.gz TVBIYDNDSIRKDD-PWSUYJOCSA-N 1 0 379.320 2.562 20 0 GFADRO CCCNC(=O)[C@@H]1CCC[N@H+](C[C@H](O)c2ccc(F)c(Br)c2)C1 ZINC000186895843 655371787 /nfs/dbraw/zinc/37/17/87/655371787.db2.gz KZICMWHRKKOEPS-CJNGLKHVSA-N 1 0 387.293 2.860 20 0 GFADRO CCC(CC)(C[NH2+][C@H](C)C1CCS(=O)(=O)CC1)NC(=O)OC(C)(C)C ZINC000187267563 655373288 /nfs/dbraw/zinc/37/32/88/655373288.db2.gz COLIHINJRLQMMS-CQSZACIVSA-N 1 0 376.563 2.873 20 0 GFADRO C[NH+](C)Cc1cccc(NC(=O)C(=O)NNc2ccc(Br)cc2)c1 ZINC000187391582 655374007 /nfs/dbraw/zinc/37/40/07/655374007.db2.gz DCHGYNHNXFZKCM-UHFFFAOYSA-N 1 0 391.269 2.593 20 0 GFADRO Cn1ccnc1[C@](O)(C[NH2+]Cc1cccc(Br)c1)C(F)(F)F ZINC000299359915 655374793 /nfs/dbraw/zinc/37/47/93/655374793.db2.gz UUCPKASYMKVUSV-CYBMUJFWSA-N 1 0 378.192 2.722 20 0 GFADRO CCO[C@@H]1C[C@@]([NH3+])(C(=O)NC[C@H](O)c2c(Cl)cccc2Cl)C1(C)C ZINC000187872543 655376975 /nfs/dbraw/zinc/37/69/75/655376975.db2.gz IEWIMPNPAIVNPG-OGHNNQOOSA-N 1 0 375.296 2.676 20 0 GFADRO Cc1nc(Cl)ccc1S(=O)(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000310690686 655379074 /nfs/dbraw/zinc/37/90/74/655379074.db2.gz NUXZMWGSTGPXCX-UHFFFAOYSA-N 1 0 379.913 2.986 20 0 GFADRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NCCC[NH+]1CCCCC1 ZINC000325180653 655384566 /nfs/dbraw/zinc/38/45/66/655384566.db2.gz ARCBSCPCRQZPFR-UHFFFAOYSA-N 1 0 375.878 2.711 20 0 GFADRO C[C@H]1CCC[C@](CNC(=O)c2cc([N+](=O)[O-])ncc2Br)([NH+](C)C)C1 ZINC000326424601 655385022 /nfs/dbraw/zinc/38/50/22/655385022.db2.gz RWQZYHFXPNZHPF-ZBEGNZNMSA-N 1 0 399.289 2.993 20 0 GFADRO CC(C)N(CCOc1cc(F)cc(Br)c1)CCS(C)(=O)=O ZINC000189268911 655385692 /nfs/dbraw/zinc/38/56/92/655385692.db2.gz GJQCABNFWNNDAM-UHFFFAOYSA-N 1 0 382.295 2.722 20 0 GFADRO CCS[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1sc2c(c1C(N)=O)CCC2 ZINC000190025032 655389605 /nfs/dbraw/zinc/38/96/05/655389605.db2.gz VENTVFPRYDHTPL-GXTWGEPZSA-N 1 0 381.567 2.928 20 0 GFADRO O=C(CCNc1ncc(C(F)(F)F)cc1Cl)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000365241100 655392700 /nfs/dbraw/zinc/39/27/00/655392700.db2.gz AIIJZZZSIPTZLV-MFKMUULPSA-N 1 0 376.810 2.766 20 0 GFADRO O=C(/C=C/c1ccccc1Br)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000366193175 655399715 /nfs/dbraw/zinc/39/97/15/655399715.db2.gz RYWSTFREQDQNEH-SQRWCISFSA-N 1 0 379.298 2.832 20 0 GFADRO [NH3+]C1(CNC(=O)NC[C@H](CO)Cc2ccccc2Br)CCCCC1 ZINC000418318670 655405474 /nfs/dbraw/zinc/40/54/74/655405474.db2.gz NWXABFQGOLOLKU-CQSZACIVSA-N 1 0 398.345 2.561 20 0 GFADRO C[C@@H](NC(=O)N(C)CCOc1ccc(Br)cc1)[C@H]1CCC[NH2+]C1 ZINC000418351874 655405751 /nfs/dbraw/zinc/40/57/51/655405751.db2.gz UKZFXRKOKKOUHI-KGLIPLIRSA-N 1 0 384.318 2.857 20 0 GFADRO CCN(CCC[NH+](C)C)S(=O)(=O)c1cc(C(=O)OC)c(Cl)cc1Cl ZINC000192942277 655407646 /nfs/dbraw/zinc/40/76/46/655407646.db2.gz RTJFAMRBFQOSAN-UHFFFAOYSA-N 1 0 397.324 2.742 20 0 GFADRO COCCO[C@@H]1CCC[N@H+](Cn2ccc(=O)c3cccc(Br)c32)C1 ZINC000193421851 655410244 /nfs/dbraw/zinc/41/02/44/655410244.db2.gz HZDVBNZJDHIWFV-CQSZACIVSA-N 1 0 395.297 2.849 20 0 GFADRO Cc1cc(Br)c(C[NH2+]C[C@@H]2CCCCN2S(C)(=O)=O)s1 ZINC000453599006 655411646 /nfs/dbraw/zinc/41/16/46/655411646.db2.gz PNMKHTHXWNWWMK-NSHDSACASA-N 1 0 381.361 2.723 20 0 GFADRO Cc1cc(Br)c(C[NH2+]C[C@H]2CCCCN2S(C)(=O)=O)s1 ZINC000453599005 655411662 /nfs/dbraw/zinc/41/16/62/655411662.db2.gz PNMKHTHXWNWWMK-LLVKDONJSA-N 1 0 381.361 2.723 20 0 GFADRO CC[NH+](CC)[C@@H]1CCN(S(=O)(=O)c2ccc(C)c(Br)c2)C1 ZINC000462655062 655413535 /nfs/dbraw/zinc/41/35/35/655413535.db2.gz IEKFPGPHYVKABU-CYBMUJFWSA-N 1 0 375.332 2.862 20 0 GFADRO CS(=O)(=O)N[C@@H]1CCCC[C@H]1C[NH2+]Cc1sccc1Br ZINC000512895330 655418044 /nfs/dbraw/zinc/41/80/44/655418044.db2.gz OLPGDOAMFAHKCR-CMPLNLGQSA-N 1 0 381.361 2.708 20 0 GFADRO CS(=O)(=O)N[C@H]1CCCC[C@H]1C[NH2+]Cc1csc(Br)c1 ZINC000512903691 655418151 /nfs/dbraw/zinc/41/81/51/655418151.db2.gz DUSJYUUAMYKPOF-RYUDHWBXSA-N 1 0 381.361 2.708 20 0 GFADRO CS(=O)(=O)N[C@H]1CCCC[C@@H]1C[NH2+]Cc1c(F)cccc1Br ZINC000512909042 655418237 /nfs/dbraw/zinc/41/82/37/655418237.db2.gz QNKKOTDFIAVCKY-ABAIWWIYSA-N 1 0 393.322 2.786 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000517926055 655419204 /nfs/dbraw/zinc/41/92/04/655419204.db2.gz BPHPIWRLPGXTRR-UHFFFAOYSA-N 1 0 383.334 2.907 20 0 GFADRO O=S1(=O)CC[C@@H](N[C@H]2CC[NH2+]C23CCC3)c2cc(Br)ccc21 ZINC000530214881 655420470 /nfs/dbraw/zinc/42/04/70/655420470.db2.gz DHGNHRNPBFQGLM-HIFRSBDPSA-N 1 0 385.327 2.542 20 0 GFADRO CN1C[C@H]([NH2+]Cc2cc(Br)c(Br)s2)CCC1=O ZINC000227835934 655422865 /nfs/dbraw/zinc/42/28/65/655422865.db2.gz FNTNQGJGTXLIHH-SSDOTTSWSA-N 1 0 382.121 2.984 20 0 GFADRO O=C(c1cc(Br)sc1Br)N1CC[C@H]2C[NH2+]C[C@H]21 ZINC000232486629 655423856 /nfs/dbraw/zinc/42/38/56/655423856.db2.gz YZYTWFMWUHTAIW-POYBYMJQSA-N 1 0 380.105 2.707 20 0 GFADRO CC(C)OC(=O)[C@H](C)C[NH2+]C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000566063108 655424513 /nfs/dbraw/zinc/42/45/13/655424513.db2.gz CSIHAZWSVLXUJU-RISCZKNCSA-N 1 0 392.265 2.505 20 0 GFADRO CCCN(C1CC[NH2+]CC1)S(=O)(=O)c1ccc(OC)c(Br)c1 ZINC000236877015 655425061 /nfs/dbraw/zinc/42/50/61/655425061.db2.gz WYXCAFRFELMBIQ-UHFFFAOYSA-N 1 0 391.331 2.610 20 0 GFADRO CCOc1c(Br)cc(C[NH2+][C@@H](C)CN2CCOCC2)cc1OC ZINC000237033245 655425531 /nfs/dbraw/zinc/42/55/31/655425531.db2.gz PWQCXFYBDZCFOQ-ZDUSSCGKSA-N 1 0 387.318 2.667 20 0 GFADRO C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)[C@@H]2CC[NH2+][C@H]2C)CC1 ZINC000574154462 655425707 /nfs/dbraw/zinc/42/57/07/655425707.db2.gz GABHUOBTAWAAMD-GRDNDAEWSA-N 1 0 380.330 2.652 20 0 GFADRO C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)[C@H]2CC[NH2+][C@H]2C)CC1 ZINC000574154464 655425748 /nfs/dbraw/zinc/42/57/48/655425748.db2.gz GABHUOBTAWAAMD-VBQJREDUSA-N 1 0 380.330 2.652 20 0 GFADRO COc1ccc(Cl)cc1-c1nc(=S)n(CN2C[C@@H]3CC[N@H+](C)[C@@H]3C2)[nH]1 ZINC000840134467 661138735 /nfs/dbraw/zinc/13/87/35/661138735.db2.gz WWZWWDUGSDKZMR-SMDDNHRTSA-N 1 0 379.917 2.863 20 0 GFADRO O=C([C@H](c1ccc(Br)cc1)N1CCCC1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000574274197 655427700 /nfs/dbraw/zinc/42/77/00/655427700.db2.gz NYBZOQMQCSMHHK-HKUYNNGSSA-N 1 0 392.341 2.798 20 0 GFADRO O=S(=O)(c1ccc(F)c(C(F)(F)F)c1)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000574277666 655427834 /nfs/dbraw/zinc/42/78/34/655427834.db2.gz YOFVLTPBDLXJQU-VXGBXAGGSA-N 1 0 380.407 2.855 20 0 GFADRO C[C@H](C[C@H]1CCCCCN1C(=O)OC(C)(C)C)[NH2+][C@H](C)CS(C)(=O)=O ZINC000246123233 655429204 /nfs/dbraw/zinc/42/92/04/655429204.db2.gz DIKWOBLUPDWQBF-BZUAXINKSA-N 1 0 376.563 2.967 20 0 GFADRO C[N@H+](C[C@H](O)COCc1ccccc1)C[C@@H](O)c1cccc(Br)c1 ZINC000246337676 655429844 /nfs/dbraw/zinc/42/98/44/655429844.db2.gz HOPGLYDUAQGPFD-RBUKOAKNSA-N 1 0 394.309 2.992 20 0 GFADRO O=C(Nc1nnc(-c2ccc(Cl)cc2F)s1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000574782570 655430623 /nfs/dbraw/zinc/43/06/23/655430623.db2.gz LNOBZUGMNOKBCT-PHIMTYICSA-N 1 0 381.864 3.356 20 0 GFADRO C[N@@H+]1CCC[C@@H]2CN(Cn3nnn(-c4ccc(Cl)cc4)c3=S)CC[C@H]21 ZINC000247180903 655431271 /nfs/dbraw/zinc/43/12/71/655431271.db2.gz VGJLKRZONVGXJW-CZUORRHYSA-N 1 0 378.933 2.825 20 0 GFADRO COc1ccc([C@H](C)[NH2+]CCNS(=O)(=O)c2cccc(Cl)c2)cc1O ZINC000574846860 655431969 /nfs/dbraw/zinc/43/19/69/655431969.db2.gz BQVHBCDMWKONIV-LBPRGKRZSA-N 1 0 384.885 2.683 20 0 GFADRO C[C@@H](C[NH+]1CCCCC1)NC(=O)/C=C\c1ccc(I)o1 ZINC000254955141 655436124 /nfs/dbraw/zinc/43/61/24/655436124.db2.gz RIRZPXFGQBSGLY-VFFGBVLKSA-N 1 0 388.249 2.888 20 0 GFADRO CC(C)OC(=O)C[C@H]1CCCN(Cc2cc(Cl)cc(S(N)(=O)=O)c2)C1 ZINC000575805183 655437501 /nfs/dbraw/zinc/43/75/01/655437501.db2.gz IBTVZERHURVTNR-CYBMUJFWSA-N 1 0 388.917 2.541 20 0 GFADRO COC[C@H](C)OC[C@H](O)C[NH2+][C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1 ZINC000575862519 655438637 /nfs/dbraw/zinc/43/86/37/655438637.db2.gz AQQSJKARMHMMIQ-GZBFAFLISA-N 1 0 377.312 2.574 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1CN1CCC[C@@H]([C@@H](C)O)C1 ZINC000575870446 655438869 /nfs/dbraw/zinc/43/88/69/655438869.db2.gz RLDNNQZEXXKKPC-HZSPNIEDSA-N 1 0 399.329 2.555 20 0 GFADRO O=C(N[C@H](c1cncc(Br)c1)C1CC1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000575900290 655439556 /nfs/dbraw/zinc/43/95/56/655439556.db2.gz XNCYWRUDCXHUOU-XHSDSOJGSA-N 1 0 379.302 2.831 20 0 GFADRO CN(C(=O)/C=C\c1ccc(I)o1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000255636545 655439968 /nfs/dbraw/zinc/43/99/68/655439968.db2.gz BHHVIABYKIASSJ-DXTNWLRRSA-N 1 0 386.233 2.639 20 0 GFADRO COc1cc2c(cc1C[NH2+]CCn1cc(Br)ccc1=O)O[C@@H](C)C2 ZINC000575953272 655440696 /nfs/dbraw/zinc/44/06/96/655440696.db2.gz RHRQLVJOKSTMRZ-LBPRGKRZSA-N 1 0 393.281 2.733 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CCCCN1S(=O)(=O)c1cccc(Cl)c1Br ZINC000261816351 655442495 /nfs/dbraw/zinc/44/24/95/655442495.db2.gz NAIDWUWCEZGHPV-KOLCDFICSA-N 1 0 381.723 2.993 20 0 GFADRO O=C(C[C@@H]1COCC[NH2+]1)Nc1ncc(Cc2ccc(Br)cc2)s1 ZINC000262045556 655443684 /nfs/dbraw/zinc/44/36/84/655443684.db2.gz GSTZDUVXDBPNIS-CYBMUJFWSA-N 1 0 396.310 2.813 20 0 GFADRO [NH3+]CCC(=O)NC[C@@H]1CCCCN1Cc1ccc(Cl)c(Br)c1 ZINC000262112465 655443833 /nfs/dbraw/zinc/44/38/33/655443833.db2.gz WPVHDOMUDLIQDL-ZDUSSCGKSA-N 1 0 388.737 2.922 20 0 GFADRO FC(F)(F)c1cc(Br)ccc1CN1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000262134124 655444049 /nfs/dbraw/zinc/44/40/49/655444049.db2.gz ONBFVCZMHMTJEF-AWEZNQCLSA-N 1 0 392.263 2.947 20 0 GFADRO [NH3+]CCC(=O)NC[C@H]1CCCCN1Cc1c(F)ccc(Br)c1F ZINC000262131735 655444054 /nfs/dbraw/zinc/44/40/54/655444054.db2.gz YFMVXJGMGXSASN-LLVKDONJSA-N 1 0 390.272 2.547 20 0 GFADRO O=C(C[C@H]1COCC[NH2+]1)N1CCC(OCc2ccc(Cl)c(Cl)c2)CC1 ZINC000262336748 655445221 /nfs/dbraw/zinc/44/52/21/655445221.db2.gz FFIKWTYKMGNBPR-AWEZNQCLSA-N 1 0 387.307 2.880 20 0 GFADRO Cc1nc([C@H](NC(=O)c2csc(CC[NH3+])n2)c2ccc(Cl)cc2)no1 ZINC000576519821 655448426 /nfs/dbraw/zinc/44/84/26/655448426.db2.gz PEFDCFFDNKTZML-CQSZACIVSA-N 1 0 377.857 2.509 20 0 GFADRO CCCC[N@H+](C)C[C@H](C)NS(=O)(=O)Cc1ccccc1Br ZINC000576616316 655449711 /nfs/dbraw/zinc/44/97/11/655449711.db2.gz BARZINAHQPUSCT-ZDUSSCGKSA-N 1 0 377.348 2.989 20 0 GFADRO O[C@H](C[NH2+]C[C@H]1Cc2ccccc2O1)COc1cc(F)cc(Br)c1 ZINC000576692885 655450866 /nfs/dbraw/zinc/45/08/66/655450866.db2.gz PLAHLLVIPLNVQG-NVXWUHKLSA-N 1 0 396.256 2.921 20 0 GFADRO COC1CC[NH+](C(C)(C)CNC(=O)c2ncsc2Br)CC1 ZINC000576730701 655451755 /nfs/dbraw/zinc/45/17/55/655451755.db2.gz KRTWUAKZVAENMX-UHFFFAOYSA-N 1 0 376.320 2.525 20 0 GFADRO Cc1cc(F)c(Br)cc1S(=O)(=O)NC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000577063307 655456812 /nfs/dbraw/zinc/45/68/12/655456812.db2.gz FERXYDGICDIANR-WDEREUQCSA-N 1 0 379.295 2.692 20 0 GFADRO [NH3+]CCCCC(=O)N1CCC(C(=O)Nc2cccc(Br)c2)CC1 ZINC000577367749 655457863 /nfs/dbraw/zinc/45/78/63/655457863.db2.gz CAEMQUGLIALIRZ-UHFFFAOYSA-N 1 0 382.302 2.755 20 0 GFADRO CCOC(=O)CC[C@@H](O)C[NH2+][C@H]1CCN(c2ccc(Cl)cc2Cl)C1 ZINC000577365408 655457871 /nfs/dbraw/zinc/45/78/71/655457871.db2.gz CGYFWTOOBGMMJR-UONOGXRCSA-N 1 0 375.296 2.866 20 0 GFADRO CS(=O)(=O)N1CC[C@H](C[NH2+]Cc2cc3cc(Br)ccc3o2)C1 ZINC000577388692 655458431 /nfs/dbraw/zinc/45/84/31/655458431.db2.gz LKSFWUZURYHRAL-LLVKDONJSA-N 1 0 387.299 2.566 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]1C1CCN(Cc2cc3c(cc2Br)OCO3)CC1 ZINC000577394558 655458506 /nfs/dbraw/zinc/45/85/06/655458506.db2.gz COBPGCABPDOIQZ-PBHICJAKSA-N 1 0 383.286 2.506 20 0 GFADRO O=S(=O)(NCC1([NH+]2CCCC2)CCOCC1)c1c(Cl)cccc1Cl ZINC000264201397 655458853 /nfs/dbraw/zinc/45/88/53/655458853.db2.gz PTZYGTVLUQYSQY-UHFFFAOYSA-N 1 0 393.336 2.917 20 0 GFADRO Cc1[nH+]c2ccc(Br)cc2c(NCCCn2cc(CO)nn2)c1C ZINC000577568123 655461965 /nfs/dbraw/zinc/46/19/65/655461965.db2.gz JGUFTGZHPUCHIK-UHFFFAOYSA-N 1 0 390.285 2.622 20 0 GFADRO COc1ccc(CCC(=O)NCC2([NH+](C)C)CCOCC2)cc1Br ZINC000265027804 655476164 /nfs/dbraw/zinc/47/61/64/655476164.db2.gz NPCPOKXEKUHRLY-UHFFFAOYSA-N 1 0 399.329 2.617 20 0 GFADRO CCN1CC[NH+](CCCCNC(=O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000265073856 655476985 /nfs/dbraw/zinc/47/69/85/655476985.db2.gz UVQOPRBLYPEBSU-UHFFFAOYSA-N 1 0 388.339 2.906 20 0 GFADRO C[NH+](C)C1(CNC(=O)N[C@@H]2CCc3cc(Br)ccc32)CCOCC1 ZINC000265129403 655477961 /nfs/dbraw/zinc/47/79/61/655477961.db2.gz YAQNAMTWWVUSKK-MRXNPFEDSA-N 1 0 396.329 2.846 20 0 GFADRO OCc1ccc(C[NH2+]C[C@H](O)COc2ccc(Br)cc2)cc1F ZINC000578499784 655480465 /nfs/dbraw/zinc/48/04/65/655480465.db2.gz ZTOFQCMIDUEDEZ-HNNXBMFYSA-N 1 0 384.245 2.610 20 0 GFADRO C[NH2+][C@@H](C)C(=O)N1CCC[C@H]1c1nc(Cc2ccc(Br)cc2)no1 ZINC000578549250 655481468 /nfs/dbraw/zinc/48/14/68/655481468.db2.gz FZFROZDITJVHBM-FZMZJTMJSA-N 1 0 393.285 2.694 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc2nc(SC)sc2c1 ZINC000265410295 655482998 /nfs/dbraw/zinc/48/29/98/655482998.db2.gz SJDWLHMNXCIZLA-LBPRGKRZSA-N 1 0 378.523 2.557 20 0 GFADRO Brc1cnc(Sc2nnc([C@@H]3CCC[NH2+]C3)n2C2CC2)nc1 ZINC000265436931 655483451 /nfs/dbraw/zinc/48/34/51/655483451.db2.gz HCRYBZQVECSPDF-SECBINFHSA-N 1 0 381.303 2.784 20 0 GFADRO C[C@@H]1[C@H](C)[S@](=O)CCN1C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000265596245 655486668 /nfs/dbraw/zinc/48/66/68/655486668.db2.gz LEBQQYFCHSYBJP-ALBMBZKMSA-N 1 0 383.583 2.511 20 0 GFADRO COc1ccc(CC[NH2+][C@H](C)Cn2cc(Br)ccc2=O)cc1F ZINC000578865934 655488230 /nfs/dbraw/zinc/48/82/30/655488230.db2.gz AYXJWFJELDTJJC-GFCCVEGCSA-N 1 0 383.261 2.979 20 0 GFADRO Cc1ccc(CN(CCN2CC[NH2+]CC2)C[C@@H]2CCCO2)c(Br)c1 ZINC000578893022 655488727 /nfs/dbraw/zinc/48/87/27/655488727.db2.gz OVYKJRCSFUXWIJ-SFHVURJKSA-N 1 0 396.373 2.644 20 0 GFADRO O=C(NCCc1ccc(F)c(Br)c1)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000578969100 655490389 /nfs/dbraw/zinc/49/03/89/655490389.db2.gz DPXZGPUQBSVXMY-HZSPNIEDSA-N 1 0 384.293 2.818 20 0 GFADRO CN(C)CC[N@H+](C)CCCN(C)CC(=O)Nc1ccc(Cl)cc1Cl ZINC000579034672 655492194 /nfs/dbraw/zinc/49/21/94/655492194.db2.gz NGTKAFPEPDSPNJ-UHFFFAOYSA-N 1 0 375.344 2.747 20 0 GFADRO OC[C@H]([NH2+]Cc1cnn(-c2ccc(Br)cc2)c1)[C@H]1CCCOC1 ZINC000579093644 655493744 /nfs/dbraw/zinc/49/37/44/655493744.db2.gz WVVHWVPYQJTYPI-YOEHRIQHSA-N 1 0 380.286 2.512 20 0 GFADRO C[C@@H]([NH2+]C1CC1)C(=O)N(C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000579116021 655494268 /nfs/dbraw/zinc/49/42/68/655494268.db2.gz BUXJCYQRWQLBBR-SECBINFHSA-N 1 0 377.794 2.896 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)C2(c3cccc(Br)c3)CC2)CC12CCOCC2 ZINC000579121693 655494402 /nfs/dbraw/zinc/49/44/02/655494402.db2.gz KFMOMRPDBQDRIO-OAHLLOKOSA-N 1 0 393.325 2.695 20 0 GFADRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1cc(F)ccc1I ZINC000266017836 655495269 /nfs/dbraw/zinc/49/52/69/655495269.db2.gz VMUKNSLNMVUQGT-YGRLFVJLSA-N 1 0 390.240 2.843 20 0 GFADRO C[C@H]1CCC[N@H+](CCNC(=O)N(C)C[C@H](O)c2cccc(Br)c2)C1 ZINC000840253668 661149839 /nfs/dbraw/zinc/14/98/39/661149839.db2.gz QCHOLAKULGJDOB-YOEHRIQHSA-N 1 0 398.345 2.856 20 0 GFADRO O=C(NCCC[NH2+]C[C@@H](O)Cc1ccccc1)c1cccc(Br)c1 ZINC000579227429 655496107 /nfs/dbraw/zinc/49/61/07/655496107.db2.gz HDBRDYIMKKJDHE-SFHVURJKSA-N 1 0 391.309 2.762 20 0 GFADRO O=C(NCc1cc(Br)ccc1Br)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000579235353 655496400 /nfs/dbraw/zinc/49/64/00/655496400.db2.gz HFUCIAKOEOVFKD-SMDDNHRTSA-N 1 0 388.103 2.827 20 0 GFADRO CC[NH+](CC)CC[C@@H](CO)NC(=O)c1c(F)ccc(Br)c1F ZINC000579241897 655496515 /nfs/dbraw/zinc/49/65/15/655496515.db2.gz JMWJMNVTIIIYHK-JTQLQIEISA-N 1 0 379.245 2.550 20 0 GFADRO COc1cc(C)c(Br)cc1C(=O)N1CC[N@H+](CC(C)(C)O)C[C@@H]1C ZINC000579245657 655496546 /nfs/dbraw/zinc/49/65/46/655496546.db2.gz IJCQIBASVGEDCV-ZDUSSCGKSA-N 1 0 399.329 2.683 20 0 GFADRO CN(C(=O)Nc1ccc(I)cc1F)C1CC[NH2+]CC1 ZINC000579375629 655498566 /nfs/dbraw/zinc/49/85/66/655498566.db2.gz OKWURDWDHUQUSX-UHFFFAOYSA-N 1 0 377.201 2.646 20 0 GFADRO O=C(CC[NH2+]Cc1cc(C(F)(F)F)ccc1Br)N1CCOCC1 ZINC000579531872 655500999 /nfs/dbraw/zinc/50/09/99/655500999.db2.gz KQKSUFPLEZHHQM-UHFFFAOYSA-N 1 0 395.219 2.806 20 0 GFADRO [NH3+]C[C@@H]1c2ccccc2CCN1C(=O)c1cc2c(c(Br)c1)OCO2 ZINC000579595294 655502020 /nfs/dbraw/zinc/50/20/20/655502020.db2.gz SRJIMTRONAJWPN-OAHLLOKOSA-N 1 0 389.249 2.876 20 0 GFADRO CN(C)Cc1ccc(NC(=O)COC2CCC([NH3+])CC2)cc1Br ZINC000579710959 655502780 /nfs/dbraw/zinc/50/27/80/655502780.db2.gz ZAPCMBRJPCNJPG-UHFFFAOYSA-N 1 0 384.318 2.736 20 0 GFADRO C[NH+](C)[C@H]1CN(C(=O)c2csc(-c3ccc(Cl)c(Cl)c3)n2)C[C@@H]1O ZINC000579744058 655503476 /nfs/dbraw/zinc/50/34/76/655503476.db2.gz TZRVVQNRZZXFNH-KBPBESRZSA-N 1 0 386.304 2.864 20 0 GFADRO [NH3+][C@@H]1CCC[C@H](CNS(=O)(=O)c2ccc(Cl)c(Br)c2)C1 ZINC000579832449 655504538 /nfs/dbraw/zinc/50/45/38/655504538.db2.gz DCCLWLXWWLIWPV-VHSXEESVSA-N 1 0 381.723 2.898 20 0 GFADRO O=S(=O)(NCC[NH2+]Cc1cnc(C2CC2)s1)c1ccc(Cl)cc1F ZINC000580031353 655507086 /nfs/dbraw/zinc/50/70/86/655507086.db2.gz FCWXXKJPKKOQAU-UHFFFAOYSA-N 1 0 389.905 2.881 20 0 GFADRO COC1(CC[NH2+]C[C@@H](O)COc2cc(F)cc(Br)c2)CCC1 ZINC000580064967 655507711 /nfs/dbraw/zinc/50/77/11/655507711.db2.gz FDAABCDSXSPZQC-CQSZACIVSA-N 1 0 376.266 2.877 20 0 GFADRO CC[NH+](CC)CCS(=O)(=O)N[C@@H](C)c1ccc(OCC(F)(F)F)cc1 ZINC000580131573 655508680 /nfs/dbraw/zinc/50/86/80/655508680.db2.gz XEBOPNBQGRJWAI-ZDUSSCGKSA-N 1 0 382.448 2.950 20 0 GFADRO CC(C)C[C@@H]([NH3+])c1noc(-c2cc3c(cc2Br)NC(=O)CO3)n1 ZINC000580191532 655509642 /nfs/dbraw/zinc/50/96/42/655509642.db2.gz KRFASVZFTAFTCW-SNVBAGLBSA-N 1 0 381.230 2.876 20 0 GFADRO [NH3+]CC[C@H](NC(=O)CCOc1ccc(Cl)cc1Br)C(F)F ZINC000580193995 655509854 /nfs/dbraw/zinc/50/98/54/655509854.db2.gz KOCYMRDOOFSWLJ-JTQLQIEISA-N 1 0 385.636 2.970 20 0 GFADRO Ic1cnc(NC[C@@H]2CC[N@@H+]2Cc2ccccc2)nc1 ZINC000596557497 655516691 /nfs/dbraw/zinc/51/66/91/655516691.db2.gz IIPCSECXQNFZLB-AWEZNQCLSA-N 1 0 380.233 2.768 20 0 GFADRO O=C(c1cc(Cl)ccc1I)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000702293177 655521610 /nfs/dbraw/zinc/52/16/10/655521610.db2.gz VDGMBTVYVJUSKI-LLVKDONJSA-N 1 0 390.652 2.865 20 0 GFADRO O=C(NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1nc(Cl)ccc1Cl ZINC000702627251 655521690 /nfs/dbraw/zinc/52/16/90/655521690.db2.gz QOJULCANXCPIHE-GOSISDBHSA-N 1 0 380.275 2.755 20 0 GFADRO Cc1sc(Br)cc1S(=O)(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000709817098 655522377 /nfs/dbraw/zinc/52/23/77/655522377.db2.gz IIHFVWBBNCQZQY-ZDUSSCGKSA-N 1 0 379.345 2.583 20 0 GFADRO CSC(C)(C)CC[NH2+]CC[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O ZINC000721737560 655525101 /nfs/dbraw/zinc/52/51/01/655525101.db2.gz DKZCNDLVRULEQE-AWEZNQCLSA-N 1 0 394.603 2.532 20 0 GFADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)c2cc(Br)cnc2Cl)C1 ZINC000725879690 655528038 /nfs/dbraw/zinc/52/80/38/655528038.db2.gz XHXQZDGFVDKBCM-GFCCVEGCSA-N 1 0 390.709 2.584 20 0 GFADRO CC[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2cc(Br)cnc2Cl)C1 ZINC000726602999 655536659 /nfs/dbraw/zinc/53/66/59/655536659.db2.gz NILUGYVSWOMOFO-JTQLQIEISA-N 1 0 396.738 2.508 20 0 GFADRO CCN1CC[NH+](C[C@H](C)CNC(=S)Nc2ccc(OC)c(Cl)c2)CC1 ZINC000726903935 655539706 /nfs/dbraw/zinc/53/97/06/655539706.db2.gz RJFNPLVKBKPDNS-CQSZACIVSA-N 1 0 384.977 2.909 20 0 GFADRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=S)Nc2ccc(Cl)nc2)CC1 ZINC000727085035 655541791 /nfs/dbraw/zinc/54/17/91/655541791.db2.gz SAXMSPKNBBEDSC-GASCZTMLSA-N 1 0 381.977 2.922 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CNC(=S)NNC(=S)Nc1ccccc1C(C)C ZINC000727089595 655541936 /nfs/dbraw/zinc/54/19/36/655541936.db2.gz UGSJIFMCGVOLRB-CQSZACIVSA-N 1 0 379.599 2.960 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)[C@H]1CSCN1C(=O)OC(C)(C)C)c1ccsc1 ZINC000727128657 655542416 /nfs/dbraw/zinc/54/24/16/655542416.db2.gz GCKSGONWUQXSOD-ZIAGYGMSSA-N 1 0 385.555 2.777 20 0 GFADRO O=S(=O)(/C=C/c1cccc(Br)c1)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000727453316 655545627 /nfs/dbraw/zinc/54/56/27/655545627.db2.gz TZJZETSKLZYHSJ-IRZHHCKBSA-N 1 0 385.327 2.966 20 0 GFADRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=S)NCCc2cccs2)CC1 ZINC000727702127 655548765 /nfs/dbraw/zinc/54/87/65/655548765.db2.gz QOVUNZXOPXIECR-CALCHBBNSA-N 1 0 380.627 2.656 20 0 GFADRO CC(C)[N@@H+]1CCCN(C(=O)/C=C\c2ccc(I)o2)CC1 ZINC000727806862 655549604 /nfs/dbraw/zinc/54/96/04/655549604.db2.gz HYIDJKCCAWLXPR-ALCCZGGFSA-N 1 0 388.249 2.840 20 0 GFADRO CC[NH+](CC)CC(=O)N1CCN(C(=S)Nc2ccc(F)c(Cl)c2)CC1 ZINC000728793357 655558874 /nfs/dbraw/zinc/55/88/74/655558874.db2.gz QZXMJSORQKPWCT-UHFFFAOYSA-N 1 0 386.924 2.662 20 0 GFADRO O[C@@H](CN1CCC[N@H+](C[C@@H]2CCCO2)CC1)c1ccc(Br)cc1 ZINC000729031863 655561224 /nfs/dbraw/zinc/56/12/24/655561224.db2.gz RYSWHDWDKTYGLM-ROUUACIJSA-N 1 0 383.330 2.669 20 0 GFADRO CCN(Cc1ccccc1Br)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000729504689 655565586 /nfs/dbraw/zinc/56/55/86/655565586.db2.gz KCPMCGRPSBFAJB-HOTGVXAUSA-N 1 0 396.329 2.844 20 0 GFADRO O=C(NCc1nc2cc(Cl)ccc2s1)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000729498883 655565592 /nfs/dbraw/zinc/56/55/92/655565592.db2.gz ZJWWRQCGNKRALU-QWHCGFSZSA-N 1 0 380.901 2.612 20 0 GFADRO O[C@@H](COc1ccc(Cl)c(Cl)c1)C[N@@H+]1CCC[C@H](C2OCCO2)C1 ZINC000729544339 655565912 /nfs/dbraw/zinc/56/59/12/655565912.db2.gz ZOIYFFXOWYVELN-QWHCGFSZSA-N 1 0 376.280 2.818 20 0 GFADRO O[C@H](CN1CCO[C@@H](c2cc(F)c(Cl)cc2Cl)C1)C[NH+]1CCCC1 ZINC000730379093 655575291 /nfs/dbraw/zinc/57/52/91/655575291.db2.gz YPIVNFFIOPKZBR-YVEFUNNKSA-N 1 0 377.287 2.963 20 0 GFADRO CN(C(=O)/C=C/c1ccc(I)o1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000732036952 655591037 /nfs/dbraw/zinc/59/10/37/655591037.db2.gz ZQKIFOYYOBGMNN-PZBABLGHSA-N 1 0 386.233 2.593 20 0 GFADRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)/C=C\c1ccc(I)o1 ZINC000732138668 655592072 /nfs/dbraw/zinc/59/20/72/655592072.db2.gz FDZPPLBXTXHDRD-ZVTBTPLYSA-N 1 0 388.249 2.888 20 0 GFADRO C[NH+](C)CCOC1CCN(C(=O)c2cc(Br)cnc2Cl)CC1 ZINC000732678441 655600181 /nfs/dbraw/zinc/60/01/81/655600181.db2.gz CZYWBFDGSPWBBA-UHFFFAOYSA-N 1 0 390.709 2.680 20 0 GFADRO CN1CCC([N@@H+]2CC[C@@H](NC(=S)Nc3cccc(Br)c3)C2)CC1 ZINC000732722308 655600866 /nfs/dbraw/zinc/60/08/66/655600866.db2.gz ZGLUDMWMGYRWMN-OAHLLOKOSA-N 1 0 397.386 2.904 20 0 GFADRO CC(C)[C@H](C[NH+](C)C)NC(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000733168291 655608743 /nfs/dbraw/zinc/60/87/43/655608743.db2.gz SKJGDVLXBQNBNQ-ZFWWWQNUSA-N 1 0 396.329 2.504 20 0 GFADRO O=C(Nc1nc(C(F)(F)F)cs1)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000733332850 655612714 /nfs/dbraw/zinc/61/27/14/655612714.db2.gz DJJKZZLPJTWCMT-LLVKDONJSA-N 1 0 378.420 2.927 20 0 GFADRO CC(C)SCC(=O)OCC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000733438398 655615017 /nfs/dbraw/zinc/61/50/17/655615017.db2.gz ZZJGAZBIJCAHBZ-UHFFFAOYSA-N 1 0 382.551 2.859 20 0 GFADRO C[NH+](C)C1(CNC(=S)NCc2cccc(C(F)(F)F)c2)CCOCC1 ZINC000733753219 655620829 /nfs/dbraw/zinc/62/08/29/655620829.db2.gz FSMMUPBAJJBVBM-UHFFFAOYSA-N 1 0 375.460 2.780 20 0 GFADRO O=S(=O)(/C=C\c1ccc(Cl)cc1)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000734243387 655628503 /nfs/dbraw/zinc/62/85/03/655628503.db2.gz FTZOGOPVCRBRGZ-GWCFYCIZSA-N 1 0 384.929 2.874 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1cccc(C2SCCS2)c1)C1CC1 ZINC000735590700 655649262 /nfs/dbraw/zinc/64/92/62/655649262.db2.gz KLXMFPRZXNKHRA-HNNXBMFYSA-N 1 0 379.551 2.560 20 0 GFADRO CC[C@H](C[NH+]1CCCC1)NC(=O)C[C@@](O)(c1nc(C)cs1)C(F)(F)F ZINC000735923755 655655420 /nfs/dbraw/zinc/65/54/20/655655420.db2.gz JUTXVBRRDBTTGQ-IUODEOHRSA-N 1 0 379.448 2.582 20 0 GFADRO CCS(=O)(=O)c1ccc2oc(=S)n(CN3CC[C@H](C[NH+](C)C)C3)c2c1 ZINC000738226679 655687597 /nfs/dbraw/zinc/68/75/97/655687597.db2.gz YXJAJTZJYSIURK-CYBMUJFWSA-N 1 0 383.539 2.598 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)CN2C(=S)N=NC2c2cccs2)C[C@H]1C ZINC000740841485 655699726 /nfs/dbraw/zinc/69/97/26/655699726.db2.gz RNUDVZKOWODDHD-CHWSQXEVSA-N 1 0 379.555 2.627 20 0 GFADRO CN(C)C(=O)C[C@H]1CN(C(=S)NCCC[NH+](C)C)c2ccc(Cl)cc21 ZINC000741481870 655706369 /nfs/dbraw/zinc/70/63/69/655706369.db2.gz CBRSPXPJSNNYJU-ZDUSSCGKSA-N 1 0 382.961 2.548 20 0 GFADRO C[C@H](c1ccc(Br)cc1)N1CCN(C(=S)NCC[NH+](C)C)CC1 ZINC000741871790 655708645 /nfs/dbraw/zinc/70/86/45/655708645.db2.gz ZMHMSQVJZLCBKC-CQSZACIVSA-N 1 0 399.402 2.564 20 0 GFADRO COC(=O)c1nn(CN2CC[C@H](C[NH+]3CCCCC3)C2)c(C)c1Br ZINC000742169178 655710965 /nfs/dbraw/zinc/71/09/65/655710965.db2.gz OSKURZHAOLMYMU-CQSZACIVSA-N 1 0 399.333 2.506 20 0 GFADRO CC[NH+](CC)[C@H]1CCN(CN2C(=O)N[C@](C)(c3ccc(Cl)s3)C2=O)C1 ZINC000743395248 655728559 /nfs/dbraw/zinc/72/85/59/655728559.db2.gz SUGZDBLLQMWBCO-YVEFUNNKSA-N 1 0 384.933 2.542 20 0 GFADRO CC[NH+](CC)[C@@H]1CCN(CN2C(=O)N[C@@](C)(c3ccc(Cl)s3)C2=O)C1 ZINC000743395242 655728563 /nfs/dbraw/zinc/72/85/63/655728563.db2.gz SUGZDBLLQMWBCO-PXAZEXFGSA-N 1 0 384.933 2.542 20 0 GFADRO C[C@H](CN1CC[NH+](C)CC1)NC(=S)N[C@@H](C)c1ccc(Br)cc1 ZINC000840728265 661179622 /nfs/dbraw/zinc/17/96/22/661179622.db2.gz VHYHURCRFSLPAM-KGLIPLIRSA-N 1 0 399.402 2.610 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)NCC[N@H+]1CCC[C@H]1C ZINC000743979276 655733394 /nfs/dbraw/zinc/73/33/94/655733394.db2.gz FQFBHNLBGPJPLH-CYBMUJFWSA-N 1 0 382.302 2.605 20 0 GFADRO C[C@@H]1CCC[N@@H+]1CCNC(=O)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000743979534 655733470 /nfs/dbraw/zinc/73/34/70/655733470.db2.gz UHRBHHIHDDGCNH-SNVBAGLBSA-N 1 0 377.794 2.898 20 0 GFADRO C[C@H]1CCC[N@@H+]1CCNC(=O)C(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000743980261 655733498 /nfs/dbraw/zinc/73/34/98/655733498.db2.gz KJNUTBFHHDNJCP-JTQLQIEISA-N 1 0 377.794 2.898 20 0 GFADRO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)c2sccc2S(=O)(=O)C(F)F)C1 ZINC000746342685 655760312 /nfs/dbraw/zinc/76/03/12/655760312.db2.gz BRAJPFWUKAQGRT-GFCCVEGCSA-N 1 0 392.493 2.548 20 0 GFADRO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)c2sccc2S(=O)(=O)C(F)F)C1 ZINC000746342686 655760325 /nfs/dbraw/zinc/76/03/25/655760325.db2.gz BRAJPFWUKAQGRT-LBPRGKRZSA-N 1 0 392.493 2.548 20 0 GFADRO C[NH+](C)CC(C)(C)CNC(=S)NCCOc1ncccc1C(F)(F)F ZINC000746544136 655763635 /nfs/dbraw/zinc/76/36/35/655763635.db2.gz GHPRSOXVQRUYDU-UHFFFAOYSA-N 1 0 378.464 2.531 20 0 GFADRO S=C(Nc1cccc(Br)c1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000749827620 655807884 /nfs/dbraw/zinc/80/78/84/655807884.db2.gz IAUGNFDGRGAFCJ-ZDUSSCGKSA-N 1 0 384.343 2.800 20 0 GFADRO CC(C)[NH2+][C@H]1CCCN(C(=O)CCN2C(=S)N=NC2c2cccs2)C1 ZINC000750653244 655816011 /nfs/dbraw/zinc/81/60/11/655816011.db2.gz JFBWSWQZPUJKPD-ZDUSSCGKSA-N 1 0 379.555 2.674 20 0 GFADRO O=C(NCc1n[nH]cc1Br)NC1CCC([NH+]2CCCCC2)CC1 ZINC000751095483 655821443 /nfs/dbraw/zinc/82/14/43/655821443.db2.gz HARVDLTZUPJWSG-UHFFFAOYSA-N 1 0 384.322 2.769 20 0 GFADRO COCCC[N@H+](C)CCNC(=O)N[C@H](C)[C@@H](O)c1c(Cl)cccc1Cl ZINC000752993788 655849009 /nfs/dbraw/zinc/84/90/09/655849009.db2.gz CZLDLXMFEPFLNC-MLGOLLRUSA-N 1 0 392.327 2.683 20 0 GFADRO Cc1ccc(C(=O)OCC(=O)NC2CC[NH+](C3CC3)CC2)c(Br)c1 ZINC000754971565 655877633 /nfs/dbraw/zinc/87/76/33/655877633.db2.gz NOXOQOUVMUOIOI-UHFFFAOYSA-N 1 0 395.297 2.657 20 0 GFADRO COCC[N@H+](CCCN1CCOC1=O)Cc1cc(Br)cs1 ZINC000755208004 655881258 /nfs/dbraw/zinc/88/12/58/655881258.db2.gz WECBZVQZOZCNLU-UHFFFAOYSA-N 1 0 377.304 2.801 20 0 GFADRO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000755236102 655881452 /nfs/dbraw/zinc/88/14/52/655881452.db2.gz XZPYMZGEKSOLOO-LBPRGKRZSA-N 1 0 391.265 2.830 20 0 GFADRO C[C@@H](COc1ccccc1)[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000840887564 661198676 /nfs/dbraw/zinc/19/86/76/661198676.db2.gz LHPOBLZMEKXSMF-LBPRGKRZSA-N 1 0 399.310 2.654 20 0 GFADRO Cc1ccc(N2N=C(Br)C[C@H]2C(=O)NC[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000756041423 655893629 /nfs/dbraw/zinc/89/36/29/655893629.db2.gz LNYHBUJHGXADDJ-HOCLYGCPSA-N 1 0 393.329 2.740 20 0 GFADRO COC(=O)N1CCC([NH2+]C[C@](O)(c2ccc(Cl)cc2)C(F)(F)F)CC1 ZINC000756899971 655906700 /nfs/dbraw/zinc/90/67/00/655906700.db2.gz PGJNTCOWIISMDR-HNNXBMFYSA-N 1 0 380.794 2.910 20 0 GFADRO Cn1nc(Br)cc1C(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000757984583 655920739 /nfs/dbraw/zinc/92/07/39/655920739.db2.gz GVJBYVWDPMITTH-CYBMUJFWSA-N 1 0 385.693 2.869 20 0 GFADRO C[C@@H](CCNC(=O)c1cccnc1I)[NH+]1CCCCC1 ZINC000758650027 655937906 /nfs/dbraw/zinc/93/79/06/655937906.db2.gz ONYGWGZYZPEZMZ-LBPRGKRZSA-N 1 0 387.265 2.681 20 0 GFADRO CNc1ncc(C(=O)NCCc2cn3cc(Br)cc(C)c3n2)s1 ZINC000758697244 655939241 /nfs/dbraw/zinc/93/92/41/655939241.db2.gz WTWBLBZNMRLEIK-UHFFFAOYSA-N 1 0 394.298 2.876 20 0 GFADRO CC[C@@H](CO)[NH+]1CCN(C(=O)Cc2ccc(Cl)cc2Br)CC1 ZINC000759627959 655958925 /nfs/dbraw/zinc/95/89/25/655958925.db2.gz PEJHASUSMXMCAK-AWEZNQCLSA-N 1 0 389.721 2.560 20 0 GFADRO C[NH+](C)C[C@H]1CCN(C(=O)c2cnn(-c3ccccc3)c2Br)C1 ZINC000760451762 655981427 /nfs/dbraw/zinc/98/14/27/655981427.db2.gz XBNLMQKMLUJLNU-CYBMUJFWSA-N 1 0 377.286 2.659 20 0 GFADRO C[NH+]1CCC(CNC(=S)N2CCN(Cc3ccc(Cl)s3)CC2)CC1 ZINC000760463161 655981561 /nfs/dbraw/zinc/98/15/61/655981561.db2.gz JKROQAYBOZARQC-UHFFFAOYSA-N 1 0 387.018 2.735 20 0 GFADRO COc1cc(OCC[NH+](C)C)ccc1NCc1c(Br)cnn1C ZINC000840959784 661220457 /nfs/dbraw/zinc/22/04/57/661220457.db2.gz VFKKWMADDTWVFG-UHFFFAOYSA-N 1 0 383.290 2.744 20 0 GFADRO O=S1(=O)CCCN1c1ccc(C[NH2+][C@@H]2CC[C@@H]3SCCS[C@H]23)cc1 ZINC000763561236 656085986 /nfs/dbraw/zinc/08/59/86/656085986.db2.gz GIPAYCPRUNECPR-IXDOHACOSA-N 1 0 384.592 2.696 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)C(=O)NC[C@@H](C)[NH+]1CCCCC1 ZINC000764250327 656105926 /nfs/dbraw/zinc/10/59/26/656105926.db2.gz TYLSHERTCSHMRV-CYBMUJFWSA-N 1 0 396.329 2.941 20 0 GFADRO O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccc(Br)c(O)c1 ZINC000764270558 656107281 /nfs/dbraw/zinc/10/72/81/656107281.db2.gz CKVPIXUJGPOKLT-AWEZNQCLSA-N 1 0 383.286 2.528 20 0 GFADRO Cc1ccc(I)cc1C(=O)N1CCC12CC[NH+](C)CC2 ZINC000764324411 656108767 /nfs/dbraw/zinc/10/87/67/656108767.db2.gz RLPXIFRNXVLBSG-UHFFFAOYSA-N 1 0 384.261 2.910 20 0 GFADRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1cnn(-c2ccccc2)c1Br ZINC000765002386 656125685 /nfs/dbraw/zinc/12/56/85/656125685.db2.gz HUJDHAXMSSJNSD-HOTGVXAUSA-N 1 0 389.297 2.991 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)Nc2cc3c(cc2Br)OCCO3)C1 ZINC000841015872 661227700 /nfs/dbraw/zinc/22/77/00/661227700.db2.gz PKRYCPCWUGPVTN-GHMZBOCLSA-N 1 0 384.274 2.811 20 0 GFADRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)c1cc(=O)c2cc(Br)ccc2o1 ZINC000841055250 661229803 /nfs/dbraw/zinc/22/98/03/661229803.db2.gz MNHJLMWAUUPWJR-UONOGXRCSA-N 1 0 391.265 2.912 20 0 GFADRO CC(C)O[C@H]1C[C@@H]([NH2+]CCNS(=O)(=O)c2ccc(Cl)s2)C1(C)C ZINC000765811224 656152933 /nfs/dbraw/zinc/15/29/33/656152933.db2.gz OWGJKYGVYJKQBT-NEPJUHHUSA-N 1 0 380.963 2.862 20 0 GFADRO O=C1c2ccc(Br)cc2C(=O)N1C[N@@H+]1CCC[C@H]1C1CCOCC1 ZINC000766089392 656160838 /nfs/dbraw/zinc/16/08/38/656160838.db2.gz TYCZWBGRDBIJLP-INIZCTEOSA-N 1 0 393.281 2.894 20 0 GFADRO COc1cc([C@H](C)[NH2+]CCN2CC[C@@H](C)C2)ccc1S(=O)(=O)C(F)F ZINC000766380003 656170089 /nfs/dbraw/zinc/17/00/89/656170089.db2.gz BKNYGWYRYOEWIS-OLZOCXBDSA-N 1 0 376.469 2.684 20 0 GFADRO O=C(CC[N@H+]1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1)C1CC1 ZINC000767424237 656202492 /nfs/dbraw/zinc/20/24/92/656202492.db2.gz WVIOJRSTAMWURM-ZDUSSCGKSA-N 1 0 380.286 2.864 20 0 GFADRO O=C(NC[C@@H]1CCC[NH2+]C1)Nc1cnc(Br)c(Br)c1 ZINC000841142441 661237416 /nfs/dbraw/zinc/23/74/16/661237416.db2.gz OYFBQBBMOMEOPK-MRVPVSSYSA-N 1 0 392.095 2.728 20 0 GFADRO [NH3+]C[C@H]1CCCCN1C(=O)Nc1cnc(Br)c(Br)c1 ZINC000841142501 661237768 /nfs/dbraw/zinc/23/77/68/661237768.db2.gz QOCGLUIXXFZQLV-SECBINFHSA-N 1 0 392.095 2.952 20 0 GFADRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2Cn2nnn(-c3ccc(Cl)cc3)c2=S)C1 ZINC000768501761 656240151 /nfs/dbraw/zinc/24/01/51/656240151.db2.gz JUZINUZNWBSMEX-BBRMVZONSA-N 1 0 378.933 2.825 20 0 GFADRO Cc1nn(-c2ccc(Cl)cc2)c(Cl)c1CN1CC[NH+](C[C@@H](C)O)CC1 ZINC000769331240 656270546 /nfs/dbraw/zinc/27/05/46/656270546.db2.gz ZZMPSYIWQVLKMW-CYBMUJFWSA-N 1 0 383.323 2.986 20 0 GFADRO OCCCC[NH+]1CCN(Cc2cc(Br)c3c(c2)OCCCO3)CC1 ZINC000769397094 656273976 /nfs/dbraw/zinc/27/39/76/656273976.db2.gz MVLNIXGMJZLPHY-UHFFFAOYSA-N 1 0 399.329 2.501 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)c1nccn2c(Br)cnc12)C1CCCCC1 ZINC000769688581 656285855 /nfs/dbraw/zinc/28/58/55/656285855.db2.gz AFJPBWKKBHVGEF-ZDUSSCGKSA-N 1 0 394.317 2.732 20 0 GFADRO C[C@@H]1CCN(C(=O)C(=O)Nc2ccccc2SC(F)(F)F)C[C@H]1C[NH3+] ZINC000841276239 661250828 /nfs/dbraw/zinc/25/08/28/661250828.db2.gz OSFSIWDPLRKUAU-GHMZBOCLSA-N 1 0 375.416 2.680 20 0 GFADRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2nccn3c(Br)cnc23)C1 ZINC000769723403 656288072 /nfs/dbraw/zinc/28/80/72/656288072.db2.gz YLJBIVOXNRHFJJ-GFCCVEGCSA-N 1 0 394.317 2.732 20 0 GFADRO [NH3+]CC[C@H](NC(=O)Nc1cc(C(F)(F)F)cc(Br)n1)C(F)F ZINC000841242052 661248410 /nfs/dbraw/zinc/24/84/10/661248410.db2.gz UIUAWBDAKLBMSR-LURJTMIESA-N 1 0 391.138 2.967 20 0 GFADRO O=C(NCCC[NH2+]C1CC1)C(=O)Nc1ccc2cc(Br)ccc2c1 ZINC000841290850 661251083 /nfs/dbraw/zinc/25/10/83/661251083.db2.gz SKJMJJRSQLGFPX-UHFFFAOYSA-N 1 0 390.281 2.799 20 0 GFADRO COC(=O)CC(C)(C)[NH2+]C[C@H](O)COc1ccc(Cl)cc1Br ZINC000770194698 656310490 /nfs/dbraw/zinc/31/04/90/656310490.db2.gz CVGHAKWRWNSADV-NSHDSACASA-N 1 0 394.693 2.774 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)NC[C@@H](C)[NH+]2CCCCC2)c(Br)c1 ZINC000770255868 656312337 /nfs/dbraw/zinc/31/23/37/656312337.db2.gz HMVPFMIRMUHFHR-CQSZACIVSA-N 1 0 396.329 2.995 20 0 GFADRO CC[C@H]([NH3+])CNC(=O)C(=O)Nc1ccccc1SC[C@@H]1CC1(Cl)Cl ZINC000841256564 661249797 /nfs/dbraw/zinc/24/97/97/661249797.db2.gz KCVPJEGBULPNDX-QWRGUYRKSA-N 1 0 390.336 2.765 20 0 GFADRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1cccnc1I ZINC000770552085 656322865 /nfs/dbraw/zinc/32/28/65/656322865.db2.gz HABZEILCEONZPB-NWDGAFQWSA-N 1 0 387.265 2.536 20 0 GFADRO [NH3+]CC[C@H](NC(=O)NOCc1ccc(F)cc1Br)C(F)(F)F ZINC000841332967 661252532 /nfs/dbraw/zinc/25/25/32/661252532.db2.gz KLJCJSYPABJZNQ-JTQLQIEISA-N 1 0 388.159 2.599 20 0 GFADRO COCCNS(=O)(=O)c1ccc(C[NH2+][C@@H](C)c2ccc(Cl)nc2)cc1 ZINC000771386812 656347852 /nfs/dbraw/zinc/34/78/52/656347852.db2.gz JCDOESMQQDGDAP-ZDUSSCGKSA-N 1 0 383.901 2.511 20 0 GFADRO O=C(Cc1cc(F)ccc1Br)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000771491151 656350860 /nfs/dbraw/zinc/35/08/60/656350860.db2.gz FOOYYGQQRHSSFE-INIZCTEOSA-N 1 0 399.304 2.890 20 0 GFADRO C[NH+](C)CCOC1CCN(C(=O)c2ccc(C(F)(F)F)nc2Cl)CC1 ZINC000772707075 656386590 /nfs/dbraw/zinc/38/65/90/656386590.db2.gz KLGFSCHJLBLPAN-UHFFFAOYSA-N 1 0 379.810 2.937 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2ccc3nc(Cl)cnc3c2)C[C@@H]1C ZINC000772941066 656394723 /nfs/dbraw/zinc/39/47/23/656394723.db2.gz YCXLBFQIZPMFJY-STQMWFEESA-N 1 0 382.917 2.777 20 0 GFADRO O=C(C[NH2+]C1CCN(c2cnccn2)CC1)Nc1cc(Cl)ccc1Cl ZINC000772954210 656395582 /nfs/dbraw/zinc/39/55/82/656395582.db2.gz XHWHZWAOVATGDW-UHFFFAOYSA-N 1 0 380.279 2.981 20 0 GFADRO CCNS(=O)(=O)CC[NH2+][C@H]1CCCc2nc(-c3ccc(F)cc3)sc21 ZINC000772968650 656396108 /nfs/dbraw/zinc/39/61/08/656396108.db2.gz YOKVBQBUVKIVKY-AWEZNQCLSA-N 1 0 383.514 2.856 20 0 GFADRO CC[C@@H]([NH2+]CCOc1ccc(S(=O)(=O)C(F)(F)F)cc1)[C@H]1CCOC1 ZINC000773133119 656400580 /nfs/dbraw/zinc/40/05/80/656400580.db2.gz QLWNJICYTQPLNX-SWLSCSKDSA-N 1 0 381.416 2.764 20 0 GFADRO C[C@@H]([NH2+]CCOc1ccc(S(=O)(=O)C(F)(F)F)cc1)C1CCOCC1 ZINC000773134161 656400814 /nfs/dbraw/zinc/40/08/14/656400814.db2.gz WQHMURQBFFYKKF-GFCCVEGCSA-N 1 0 381.416 2.764 20 0 GFADRO C[C@H]([NH2+][C@@H]1CC[C@@H]2SCCS[C@@H]12)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000773134378 656400899 /nfs/dbraw/zinc/40/08/99/656400899.db2.gz IUKHGUCALSSBDM-IEAZIUSSSA-N 1 0 386.608 2.967 20 0 GFADRO C[C@H]([NH2+][C@@H]1CC[C@H]2SCCS[C@@H]12)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000773134377 656400953 /nfs/dbraw/zinc/40/09/53/656400953.db2.gz IUKHGUCALSSBDM-DXEWXGHRSA-N 1 0 386.608 2.967 20 0 GFADRO CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=S)NCCC[NH+](C)C ZINC000773173098 656402581 /nfs/dbraw/zinc/40/25/81/656402581.db2.gz IJAPNUMBKVCGAB-WFASDCNBSA-N 1 0 388.375 2.941 20 0 GFADRO CN(Cn1c(=O)oc2cc(Br)c(F)cc21)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000773305090 656409471 /nfs/dbraw/zinc/40/94/71/656409471.db2.gz VIFQGANUTNYVQH-NSHDSACASA-N 1 0 384.249 2.622 20 0 GFADRO CC(C)[C@H]1C[N@H+](C)CCN1Cn1c(=O)oc2cc(Br)c(F)cc21 ZINC000773304169 656409517 /nfs/dbraw/zinc/40/95/17/656409517.db2.gz XXZPUGPQBVETSW-CQSZACIVSA-N 1 0 386.265 2.726 20 0 GFADRO CC[NH+](CC)[C@@H]1CCN(Cn2c(=O)oc3cc(Br)c(F)cc32)C1 ZINC000773305893 656410148 /nfs/dbraw/zinc/41/01/48/656410148.db2.gz CVASXRWGQHRSNI-LLVKDONJSA-N 1 0 386.265 2.870 20 0 GFADRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2Cn2c(=O)oc3cc(Br)c(F)cc32)C1 ZINC000773316178 656411130 /nfs/dbraw/zinc/41/11/30/656411130.db2.gz YSVBXRXUDURUGF-BXUZGUMPSA-N 1 0 398.276 2.870 20 0 GFADRO C[NH+](C)C1(CNC(=O)c2cc(=O)c3cc(Br)ccc3o2)CCC1 ZINC000841426274 661263846 /nfs/dbraw/zinc/26/38/46/661263846.db2.gz YNKKYKZMIQAAEO-UHFFFAOYSA-N 1 0 379.254 2.770 20 0 GFADRO CC[C@@H]1C[N@H+](C)CCCN1C(=O)C[C@](O)(c1nc(C)cs1)C(F)(F)F ZINC000774187722 656500996 /nfs/dbraw/zinc/50/09/96/656500996.db2.gz LLCJCOZAPYCMEQ-DOMZBBRYSA-N 1 0 379.448 2.534 20 0 GFADRO Cc1cc(Br)cc(C[N@@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)c1 ZINC000774825588 656559495 /nfs/dbraw/zinc/55/94/95/656559495.db2.gz ICOIFODPRDKPKN-MRXNPFEDSA-N 1 0 381.314 2.828 20 0 GFADRO Cc1cc(Br)cc(C[NH2+]C2CCN(S(=O)(=O)C3CC3)CC2)c1 ZINC000775002512 656584587 /nfs/dbraw/zinc/58/45/87/656584587.db2.gz GVBNJFSARVJTAA-UHFFFAOYSA-N 1 0 387.343 2.804 20 0 GFADRO CCS(=O)(=O)N1CCC(C[NH2+]Cc2cc(C)cc(Br)c2)CC1 ZINC000775015769 656586908 /nfs/dbraw/zinc/58/69/08/656586908.db2.gz KSNPZTRMEOYAPZ-UHFFFAOYSA-N 1 0 389.359 2.909 20 0 GFADRO CS[C@H]1CN(Cc2ccc(S(=O)(=O)C(F)F)cc2)C[C@H]1[NH+]1CCCC1 ZINC000776485303 656746720 /nfs/dbraw/zinc/74/67/20/656746720.db2.gz QGMUOGPFLVRQCZ-CVEARBPZSA-N 1 0 390.521 2.695 20 0 GFADRO CS[C@@H]1CC[C@H]([NH2+]Cc2c(C)nn([C@H]3CCS(=O)(=O)C3)c2Cl)C1 ZINC000776698890 656784831 /nfs/dbraw/zinc/78/48/31/656784831.db2.gz DFPMHGCNGOSEJK-RWMBFGLXSA-N 1 0 377.963 2.578 20 0 GFADRO CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+]C[C@H](OC)C(F)(F)F)cc1 ZINC000777006881 656803367 /nfs/dbraw/zinc/80/33/67/656803367.db2.gz KBNHDGAPURYSPI-DOMZBBRYSA-N 1 0 382.448 2.945 20 0 GFADRO Cc1cc(Br)cc(NC(=O)C(=O)NC[C@H](C)[NH+]2CCCCC2)c1 ZINC000777127254 656812034 /nfs/dbraw/zinc/81/20/34/656812034.db2.gz CJFISPRHGWJPAT-ZDUSSCGKSA-N 1 0 382.302 2.687 20 0 GFADRO CC(C)OCC[NH+]1CCC(NC(=O)c2scnc2Br)CC1 ZINC000777806125 656836634 /nfs/dbraw/zinc/83/66/34/656836634.db2.gz UPBHTEQYHPXMHM-UHFFFAOYSA-N 1 0 376.320 2.525 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1c(OC)ccc2nc(Cl)ccc21 ZINC000777851157 656838519 /nfs/dbraw/zinc/83/85/19/656838519.db2.gz LKMSRUZTBPMSBZ-LBPRGKRZSA-N 1 0 383.901 2.659 20 0 GFADRO O=C(c1scnc1Br)N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000777871000 656840336 /nfs/dbraw/zinc/84/03/36/656840336.db2.gz PDYHXNFXOJCVQU-GFCCVEGCSA-N 1 0 388.331 2.623 20 0 GFADRO COC(=O)C1=C(C)O[C@H](C[N@H+](C)[C@@H](CO)c2cccc(Br)c2)C1 ZINC000778223616 656870454 /nfs/dbraw/zinc/87/04/54/656870454.db2.gz MBPCXZLEMFMXHR-HOCLYGCPSA-N 1 0 384.270 2.650 20 0 GFADRO CC(C)OC1CC([NH2+]CCOc2ccc(S(=O)(=O)C(F)(F)F)cc2)C1 ZINC000779166951 656903557 /nfs/dbraw/zinc/90/35/57/656903557.db2.gz YSMKDJAFOYZORZ-UHFFFAOYSA-N 1 0 381.416 2.905 20 0 GFADRO O=C(c1nc(Br)cs1)N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000779808446 656944532 /nfs/dbraw/zinc/94/45/32/656944532.db2.gz GRYKALBXWWZSRQ-GFCCVEGCSA-N 1 0 388.331 2.623 20 0 GFADRO COc1ccc2nc(Cl)ccc2c1S(=O)(=O)NC[C@H](C)[NH+]1CCCC1 ZINC000780703815 657024199 /nfs/dbraw/zinc/02/41/99/657024199.db2.gz HDOKMBQDLPHDQV-LBPRGKRZSA-N 1 0 383.901 2.659 20 0 GFADRO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NCCSCc1ccnc(Cl)c1 ZINC000780723787 657026518 /nfs/dbraw/zinc/02/65/18/657026518.db2.gz HRCJEVDLZNPDIR-KRWDZBQOSA-N 1 0 385.961 2.878 20 0 GFADRO CC[N@H+](CCNS(=O)(=O)c1cc(C(=O)OC)c(Cl)cc1Cl)C(C)C ZINC000780857410 657033212 /nfs/dbraw/zinc/03/32/12/657033212.db2.gz YECBHNMIRDFWIU-UHFFFAOYSA-N 1 0 397.324 2.789 20 0 GFADRO Cc1cc(NC(=O)C(=O)Nc2ccc(C[NH+](C)C)cc2)cnc1Br ZINC000783021676 657201672 /nfs/dbraw/zinc/20/16/72/657201672.db2.gz DNDNHRROJDFHEN-UHFFFAOYSA-N 1 0 391.269 2.791 20 0 GFADRO S=C(Nc1ccc(Br)cc1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000783746639 657258355 /nfs/dbraw/zinc/25/83/55/657258355.db2.gz ZWKWTNKEMHGLHM-ZDUSSCGKSA-N 1 0 384.343 2.800 20 0 GFADRO COC(=O)c1ccc(Cl)c(S(=O)(=O)N[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)c1 ZINC000784722057 657323991 /nfs/dbraw/zinc/32/39/91/657323991.db2.gz VZMOCXHSXBYRMP-STQMWFEESA-N 1 0 388.917 2.525 20 0 GFADRO CO[C@@H](C)C[NH2+]Cc1ccc(Br)cc1SCCS(C)(=O)=O ZINC000785556362 657374630 /nfs/dbraw/zinc/37/46/30/657374630.db2.gz WQWWKOXRQSEKOX-NSHDSACASA-N 1 0 396.372 2.710 20 0 GFADRO C[C@@H](C[N@H+](C)CCCOC(=O)NC(N)=O)Oc1ccc(Cl)c(Cl)c1 ZINC000787342757 657546213 /nfs/dbraw/zinc/54/62/13/657546213.db2.gz OONKJHSQJWZJAB-JTQLQIEISA-N 1 0 378.256 2.888 20 0 GFADRO C[C@@H](Sc1nc2ccccc2s1)C(=O)N1CCC[C@](O)(C[NH+](C)C)C1 ZINC000788205176 657670219 /nfs/dbraw/zinc/67/02/19/657670219.db2.gz MVDIVSZIFNRZBQ-ACJLOTCBSA-N 1 0 379.551 2.692 20 0 GFADRO COc1ccccc1[C@@H](CNC(=O)c1cc(Br)n[nH]1)[NH+]1CCCC1 ZINC000788264244 657685208 /nfs/dbraw/zinc/68/52/08/657685208.db2.gz VKJNVKDKDYKNSR-CQSZACIVSA-N 1 0 393.285 2.748 20 0 GFADRO Cc1nc(-c2ccc(Cl)c(Cl)c2)n(C[N@@H+]2CC[C@]3(CNC(=O)C3)C2)n1 ZINC000788381886 657705539 /nfs/dbraw/zinc/70/55/39/657705539.db2.gz ITXFJJYCRSIYBC-KRWDZBQOSA-N 1 0 380.279 2.730 20 0 GFADRO CC[C@@H](C)[N@H+](C)CCNS(=O)(=O)c1sc(C(=O)OC)c(Cl)c1C ZINC000788617409 657753172 /nfs/dbraw/zinc/75/31/72/657753172.db2.gz GTCXBHZNSSODTB-SECBINFHSA-N 1 0 382.935 2.505 20 0 GFADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@H](C)NC(=O)OC(C)(C)C ZINC000788796390 657786593 /nfs/dbraw/zinc/78/65/93/657786593.db2.gz GOIUXYWRBIHJRW-NWDGAFQWSA-N 1 0 388.306 2.502 20 0 GFADRO Cn1cc(S(=O)(=O)N[C@H](C[NH+]2CCCCC2)c2ccccc2)nc1Cl ZINC000788915535 657796728 /nfs/dbraw/zinc/79/67/28/657796728.db2.gz GHSAUKGXUDEFPI-OAHLLOKOSA-N 1 0 382.917 2.579 20 0 GFADRO CCS(=O)(=O)CCCCC[N@H+](C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000789326276 657837657 /nfs/dbraw/zinc/83/76/57/657837657.db2.gz GLWDSTOHTPWDRE-UHFFFAOYSA-N 1 0 376.563 2.923 20 0 GFADRO NC(=O)C1=NO[C@H](C[NH2+]Cc2ccc(-c3ccccc3Br)s2)C1 ZINC000789560952 657864898 /nfs/dbraw/zinc/86/48/98/657864898.db2.gz NYXTWVFFXZBOPR-JTQLQIEISA-N 1 0 394.294 2.897 20 0 GFADRO CC[NH+](CC)CCSCC(=O)Nc1ccc(Br)nc1OC ZINC000789878689 657896196 /nfs/dbraw/zinc/89/61/96/657896196.db2.gz RLTKNHWRPPVUTH-UHFFFAOYSA-N 1 0 376.320 2.866 20 0 GFADRO COC(=O)c1c2cnn(C[N@H+](C)[C@H]3CCSC3)c2ccc1Br ZINC000790441321 657977893 /nfs/dbraw/zinc/97/78/93/657977893.db2.gz ACXXPHXYWIUHCI-JTQLQIEISA-N 1 0 384.299 2.980 20 0 GFADRO C[C@@H](CNC(=O)c1nc(Br)ccc1Br)[NH+]1CCCC1 ZINC000790592511 658000625 /nfs/dbraw/zinc/00/06/25/658000625.db2.gz ZUPRMSNLXVZFHP-VIFPVBQESA-N 1 0 391.107 2.821 20 0 GFADRO C[C@@]12CCN(C(=O)NCC3([NH+]4CCCC4)CCOCC3)C[C@@H]1C2(Cl)Cl ZINC000790733516 658016164 /nfs/dbraw/zinc/01/61/64/658016164.db2.gz YKDWOCSEHPYRHK-GOEBONIOSA-N 1 0 390.355 2.857 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)N(CCO)Cc1cccnc1Cl)c1ccsc1 ZINC000792827231 658323875 /nfs/dbraw/zinc/32/38/75/658323875.db2.gz AAQPKJYBULDTRY-OAHLLOKOSA-N 1 0 382.917 2.603 20 0 GFADRO Cc1ccc(NC(=O)C(=O)NCCCCCCC[NH+](C)C)nc1Br ZINC000792971304 658339027 /nfs/dbraw/zinc/33/90/27/658339027.db2.gz MIJSJJDGGHRMAR-UHFFFAOYSA-N 1 0 399.333 2.719 20 0 GFADRO Cn1nccc1CC[NH2+]Cc1c(F)ccc(I)c1F ZINC000793081051 658356088 /nfs/dbraw/zinc/35/60/88/658356088.db2.gz ZIHTZOARARAICR-UHFFFAOYSA-N 1 0 377.176 2.635 20 0 GFADRO C[NH+]1CCN(c2ccc(Br)cc2NC(=O)C[C@@H]2CCCOC2)CC1 ZINC000793246724 658375700 /nfs/dbraw/zinc/37/57/00/658375700.db2.gz RXSPGCYGBZMKPY-AWEZNQCLSA-N 1 0 396.329 2.956 20 0 GFADRO CC(C)([NH2+]Cc1cc(Br)c2c(c1)OCCO2)C(=O)N1CCCC1 ZINC000793393782 658393139 /nfs/dbraw/zinc/39/31/39/658393139.db2.gz ABBKWOHISZUVOH-UHFFFAOYSA-N 1 0 383.286 2.711 20 0 GFADRO O=C(Nc1cccc(C[N@H+]2CC[C@@H](O)C2)c1)c1nc(Br)ccc1F ZINC000794565486 658563095 /nfs/dbraw/zinc/56/30/95/658563095.db2.gz KDOPJJVKAAWCML-CYBMUJFWSA-N 1 0 394.244 2.802 20 0 GFADRO COCC[NH+](CCOC)C1CCN(C(=S)N[C@H](C)c2cccs2)CC1 ZINC000795143625 658691190 /nfs/dbraw/zinc/69/11/90/658691190.db2.gz KMDAGMOISPCEDE-OAHLLOKOSA-N 1 0 385.599 2.743 20 0 GFADRO CC(=O)N(c1nn(CN2C[C@H]([NH+]3CCCC3)C[C@@H]2C)c(=S)s1)C1CC1 ZINC000795707133 658843437 /nfs/dbraw/zinc/84/34/37/658843437.db2.gz XYJVTHCGMRDAID-SWLSCSKDSA-N 1 0 381.571 2.705 20 0 GFADRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1CN1Cc2ccc(Br)cc2C1=O ZINC000795709085 658843535 /nfs/dbraw/zinc/84/35/35/658843535.db2.gz XDVNXKWMUVAXIG-BBRMVZONSA-N 1 0 378.314 2.921 20 0 GFADRO Cc1nn(-c2ccccn2)c(Cl)c1C[NH2+][C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000796310597 658912220 /nfs/dbraw/zinc/91/22/20/658912220.db2.gz BBSCBOWSIBKXPF-KGLIPLIRSA-N 1 0 382.917 2.675 20 0 GFADRO CS(=O)(=O)N[C@H]1CCCC[C@H]1C[NH2+]Cc1ccc(CSC(F)F)o1 ZINC000796490517 658919575 /nfs/dbraw/zinc/91/95/75/658919575.db2.gz VQPBBQAXSAHAIS-FZMZJTMJSA-N 1 0 382.498 2.933 20 0 GFADRO CC(=O)NCCC[NH2+][C@H](CO)c1ccc(Br)cc1C(F)(F)F ZINC000796574343 658923794 /nfs/dbraw/zinc/92/37/94/658923794.db2.gz QNOSWKSBMZNSTP-CYBMUJFWSA-N 1 0 383.208 2.617 20 0 GFADRO O=S1(=O)CCC(C[N@@H+](CCn2ccnc2)Cc2cccc(Cl)c2)CC1 ZINC000797529747 659032041 /nfs/dbraw/zinc/03/20/41/659032041.db2.gz FCPLKPAVEQCAKN-UHFFFAOYSA-N 1 0 381.929 2.864 20 0 GFADRO CC[C@H]1CN(C)CCCN1C(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000798141734 659075920 /nfs/dbraw/zinc/07/59/20/659075920.db2.gz QTCDTWGXSWTNGP-ZDUSSCGKSA-N 1 0 378.416 2.536 20 0 GFADRO CC(C)(COc1ncccc1Br)[NH2+]C[C@@H](O)c1ccc(F)cn1 ZINC000799310450 659178013 /nfs/dbraw/zinc/17/80/13/659178013.db2.gz BPOCGNDCYVCIHO-CQSZACIVSA-N 1 0 384.249 2.859 20 0 GFADRO Fc1ccc(Br)c2nccc(NC[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)c12 ZINC000799933933 659246670 /nfs/dbraw/zinc/24/66/70/659246670.db2.gz GPVMNLAGCTTWGB-VXGBXAGGSA-N 1 0 380.261 2.833 20 0 GFADRO O=C(OCCC[NH+]1CCCC1)c1cn(-c2ccccc2Br)nn1 ZINC000800133038 659275054 /nfs/dbraw/zinc/27/50/54/659275054.db2.gz REXLSCUXZHMDON-UHFFFAOYSA-N 1 0 379.258 2.673 20 0 GFADRO CC[NH+](CC)CCCOC(=O)c1ccc(I)c(O)c1 ZINC000800201622 659290750 /nfs/dbraw/zinc/29/07/50/659290750.db2.gz PMGOGQUYNIRWCA-UHFFFAOYSA-N 1 0 377.222 2.886 20 0 GFADRO CN(CC[C@@H]1CCCC[N@@H+]1C)S(=O)(=O)c1cc2c(cc1Cl)CCC2=O ZINC000800916362 659347506 /nfs/dbraw/zinc/34/75/06/659347506.db2.gz BQKHETFIXYIVIY-AWEZNQCLSA-N 1 0 384.929 2.964 20 0 GFADRO Cc1nn(C)c(Br)c1C(=O)N[C@@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000800941430 659355200 /nfs/dbraw/zinc/35/52/00/659355200.db2.gz AFQDEZKYBFOXKW-SWLSCSKDSA-N 1 0 379.302 2.912 20 0 GFADRO Cc1nn(C)c(Br)c1C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000801098464 659368146 /nfs/dbraw/zinc/36/81/46/659368146.db2.gz FDERZWAUWPOBPC-HIFRSBDPSA-N 1 0 377.286 2.666 20 0 GFADRO Nc1nccc([C@H]2CCC[N@H+](C[C@H](O)c3ccc(Br)cc3)C2)n1 ZINC000801551776 659403928 /nfs/dbraw/zinc/40/39/28/659403928.db2.gz SROPZDBNCRTCKF-BBRMVZONSA-N 1 0 377.286 2.734 20 0 GFADRO O=C(COC(=O)C1CC[NH+](C2CC2)CC1)Nc1ccc(Br)cc1F ZINC000801872859 659432216 /nfs/dbraw/zinc/43/22/16/659432216.db2.gz FVUOFGWSSGJVCA-UHFFFAOYSA-N 1 0 399.260 2.944 20 0 GFADRO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]Cc2ccc([Si](C)(C)C)cc2)c1 ZINC000801937043 659435762 /nfs/dbraw/zinc/43/57/62/659435762.db2.gz CFQZSQHMPRJUDG-OAHLLOKOSA-N 1 0 376.598 2.991 20 0 GFADRO CC(C)[N@@H+]1CCO[C@H](COC(=O)C2(c3cncc(Br)c3)CC2)C1 ZINC000802134244 659447206 /nfs/dbraw/zinc/44/72/06/659447206.db2.gz KEPFTXQHSCYCST-HNNXBMFYSA-N 1 0 383.286 2.528 20 0 GFADRO O=C([C@H]1CC1(Cl)Cl)N1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000804446597 659648161 /nfs/dbraw/zinc/64/81/61/659648161.db2.gz LGPPEYVOIUVCEK-IAGOWNOFSA-N 1 0 382.335 2.599 20 0 GFADRO COc1nc(Br)ccc1NC(=O)N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C ZINC000806451600 659832456 /nfs/dbraw/zinc/83/24/56/659832456.db2.gz QONCARCJTCCDDQ-RYUDHWBXSA-N 1 0 383.290 2.943 20 0 GFADRO COc1nc(Br)ccc1NC(=O)N1C[C@H]([NH+]2CCCC2)C[C@H]1C ZINC000806451601 659832524 /nfs/dbraw/zinc/83/25/24/659832524.db2.gz QONCARCJTCCDDQ-VXGBXAGGSA-N 1 0 383.290 2.943 20 0 GFADRO O[C@@H]1c2ccccc2OC[C@@H]1[NH2+]Cc1cc(Br)cc2c1OCC2 ZINC000808454862 659894723 /nfs/dbraw/zinc/89/47/23/659894723.db2.gz UILJIJQASWCKEI-DOTOQJQBSA-N 1 0 376.250 2.968 20 0 GFADRO O[C@@H]1c2ccccc2OC[C@@H]1[NH2+]Cc1cc2c(c(Br)c1)OCO2 ZINC000808454268 659894734 /nfs/dbraw/zinc/89/47/34/659894734.db2.gz NWFKQWLHEYLPPN-XJKSGUPXSA-N 1 0 378.222 2.762 20 0 GFADRO O=C(NC[C@@H]1CCC[N@@H+](C[C@@H](O)Cc2cccc(Cl)c2)C1)C(F)(F)F ZINC000810069446 659958995 /nfs/dbraw/zinc/95/89/95/659958995.db2.gz DWICKUTUNIFYOD-ZFWWWQNUSA-N 1 0 378.822 2.634 20 0 GFADRO C[C@H](CNCc1cn(-c2ccccc2Br)nn1)[NH+]1CCCCC1 ZINC000810134558 659964048 /nfs/dbraw/zinc/96/40/48/659964048.db2.gz UCQAYMCZFAMZKR-CQSZACIVSA-N 1 0 378.318 2.994 20 0 GFADRO CON(C)C(=O)[C@H](CCSC)[NH2+][C@H](C)c1ccc(Br)nc1 ZINC000810227305 659967178 /nfs/dbraw/zinc/96/71/78/659967178.db2.gz BEEJPVQUFSRSSC-PWSUYJOCSA-N 1 0 376.320 2.636 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)NCCCCn2cc(Br)cn2)C1 ZINC000810711168 659983637 /nfs/dbraw/zinc/98/36/37/659983637.db2.gz YRPMGCGTGAITEO-MRXNPFEDSA-N 1 0 389.313 2.755 20 0 GFADRO CCN(C[C@H](C)OC)CN1C(=O)C[C@](C)(c2ccc(Br)cc2)C1=O ZINC000812303080 660023101 /nfs/dbraw/zinc/02/31/01/660023101.db2.gz KTERLHRTXORLGZ-SCLBCKFNSA-N 1 0 397.313 2.780 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc4sc(N5CCCC5)nc4s3)C[C@@H]2C1 ZINC000812326697 660023970 /nfs/dbraw/zinc/02/39/70/660023970.db2.gz WJHVEJCQWNUQST-OLZOCXBDSA-N 1 0 376.551 2.982 20 0 GFADRO Cc1nn(C)c(Br)c1C(=O)N[C@H](C[NH+](C)C)c1ccc(F)cc1 ZINC000813618120 660058227 /nfs/dbraw/zinc/05/82/27/660058227.db2.gz IPLQYPYUEKLTKF-CYBMUJFWSA-N 1 0 383.265 2.663 20 0 GFADRO C[C@@H]1CN(CCNC(=O)N2CC[C@H](Sc3cccc(Cl)c3)C2)CCO1 ZINC000813617161 660058292 /nfs/dbraw/zinc/05/82/92/660058292.db2.gz ONLWIZQVCLPPCT-PBHICJAKSA-N 1 0 383.945 2.937 20 0 GFADRO C[C@H](CCCCNC(=O)OC(C)(C)C)[NH2+][C@@H](C)C1CCS(=O)(=O)CC1 ZINC000813876778 660066293 /nfs/dbraw/zinc/06/62/93/660066293.db2.gz ZQRIDAVMPXILRY-CABCVRRESA-N 1 0 376.563 2.873 20 0 GFADRO C[C@H](CNC(=O)/C=C/CN(C)CC(F)(F)F)[N@@H+]1CCc2sccc2C1 ZINC000814480483 660086446 /nfs/dbraw/zinc/08/64/46/660086446.db2.gz RRPJAEDRMCVDLR-ITDFMYJTSA-N 1 0 375.460 2.661 20 0 GFADRO C[NH+]1CCN(c2ccc(NC(=O)/C=C\c3ccc(Br)o3)cn2)CC1 ZINC000814485697 660086702 /nfs/dbraw/zinc/08/67/02/660086702.db2.gz FOEPAYDRUZTHLJ-DAXSKMNVSA-N 1 0 391.269 2.841 20 0 GFADRO CC(C)[C@@H]([NH2+]C[C@H](O)COc1cccc(Br)c1)C1(CO)CCC1 ZINC000815255182 660118433 /nfs/dbraw/zinc/11/84/33/660118433.db2.gz REBWISCDMUGKHG-DOTOQJQBSA-N 1 0 386.330 2.966 20 0 GFADRO CCc1sc(C(=O)N[C@H]2CCC[N@H+](CCOC)C2)cc1Br ZINC000815473613 660123430 /nfs/dbraw/zinc/12/34/30/660123430.db2.gz BCHHDASJPFLMQW-NSHDSACASA-N 1 0 375.332 2.914 20 0 GFADRO O=C(Nc1ccn(-c2cc[nH+]cc2)n1)c1cn2c(Br)cnc2s1 ZINC000815612905 660126614 /nfs/dbraw/zinc/12/66/14/660126614.db2.gz ABUYLMPTAQUILE-UHFFFAOYSA-N 1 0 389.238 2.991 20 0 GFADRO C[C@](O)(CNC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1)c1cccc(Cl)c1 ZINC000816971103 660175223 /nfs/dbraw/zinc/17/52/23/660175223.db2.gz SZTRAWWMLVWAOW-MJGOQNOKSA-N 1 0 382.957 2.881 20 0 GFADRO [NH3+]CCc1ccc(CNC(=O)NCCOc2cccc(Br)c2)cc1 ZINC000841724969 661310813 /nfs/dbraw/zinc/31/08/13/661310813.db2.gz FQRHSDRDNBVQIM-UHFFFAOYSA-N 1 0 392.297 2.829 20 0 GFADRO COc1cc(NCc2ccc(S(C)(=O)=O)s2)ccc1OCC[NH+](C)C ZINC000841894134 661317348 /nfs/dbraw/zinc/31/73/48/661317348.db2.gz ONLPNDKFPPWBHX-UHFFFAOYSA-N 1 0 384.523 2.713 20 0 GFADRO O=C(NC[C@H]1CCC[NH2+]C1)N1CCO[C@@H](c2ccccc2Br)C1 ZINC000841924276 661317694 /nfs/dbraw/zinc/31/76/94/661317694.db2.gz VRFNHRAKAUIUEU-XJKSGUPXSA-N 1 0 382.302 2.532 20 0 GFADRO C[C@H](NC(=O)N1CCO[C@H](c2ccccc2Br)C1)[C@H]1CCC[NH2+]C1 ZINC000841929948 661318006 /nfs/dbraw/zinc/31/80/06/661318006.db2.gz XZZHHAKTAPEVCJ-ZQIUZPCESA-N 1 0 396.329 2.920 20 0 GFADRO [NH3+]C[C@H]1CC[C@H](CNC(=O)NC[C@H](O)c2ccccc2Br)CC1 ZINC000841996100 661319092 /nfs/dbraw/zinc/31/90/92/661319092.db2.gz MMXIHUQFKFVUTD-XEZPLFJOSA-N 1 0 384.318 2.547 20 0 GFADRO CCC[C@@H]([NH2+]Cc1ccc(S(N)(=O)=O)c(Cl)c1)[C@H](O)c1ccccc1 ZINC000842207657 661327812 /nfs/dbraw/zinc/32/78/12/661327812.db2.gz PDKKYFAENAOAPP-SJLPKXTDSA-N 1 0 382.913 2.979 20 0 GFADRO O=C1CCc2cc(Cl)c(S(=O)(=O)N3CCCC[C@@H]3[C@@H]3CCC[NH2+]3)cc21 ZINC000842481374 661341355 /nfs/dbraw/zinc/34/13/55/661341355.db2.gz IOCKFFFEXVEEFE-JKSUJKDBSA-N 1 0 382.913 2.764 20 0 GFADRO [NH3+][C@@H]1CCCO[C@H]1C1CCN(S(=O)(=O)/C=C\c2ccccc2Cl)CC1 ZINC000842484806 661341718 /nfs/dbraw/zinc/34/17/18/661341718.db2.gz AJUBNPGWLSLUIF-MOUUPJEKSA-N 1 0 384.929 2.859 20 0 GFADRO CC(=O)N[C@@H](Cc1nc([C@H]2CCC[NH2+]C2)no1)c1ccc(Br)cc1 ZINC000842663552 661347897 /nfs/dbraw/zinc/34/78/97/661347897.db2.gz BRYVQPLEGWJAIO-ZFWWWQNUSA-N 1 0 393.285 2.719 20 0 GFADRO O=C1[C@@H](c2nc([C@@H]3CCC[NH2+]C3)no2)CCN1c1ccccc1Br ZINC000842666220 661348174 /nfs/dbraw/zinc/34/81/74/661348174.db2.gz XDBROLCZJQZJMA-VXGBXAGGSA-N 1 0 391.269 2.820 20 0 GFADRO C[NH2+]C[C@H]1CCCN(S(=O)(=O)c2c(OC)ccc3nc(Cl)ccc32)C1 ZINC000842678315 661348553 /nfs/dbraw/zinc/34/85/53/661348553.db2.gz DJBSMVZOGAWKMY-GFCCVEGCSA-N 1 0 383.901 2.517 20 0 GFADRO COc1ccc2nc(Cl)ccc2c1S(=O)(=O)N1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000842689534 661349306 /nfs/dbraw/zinc/34/93/06/661349306.db2.gz IPFILLTUQCWDMT-BXUZGUMPSA-N 1 0 383.901 2.787 20 0 GFADRO Cc1ccc(S(=O)(=O)NCc2ccc(CC[NH3+])cc2)cc1Br ZINC000842701776 661349919 /nfs/dbraw/zinc/34/99/19/661349919.db2.gz YCKNZDLEQYEVNB-UHFFFAOYSA-N 1 0 383.311 2.737 20 0 GFADRO CC(C)[N@@H+]1CCC[C@@H](COC(=O)c2ccccc2S(=O)(=O)C(F)F)C1 ZINC000842828227 661356680 /nfs/dbraw/zinc/35/66/80/661356680.db2.gz FMFMLWILVOYCIJ-CYBMUJFWSA-N 1 0 375.437 2.960 20 0 GFADRO O=S(=O)(/C=C\c1ccc(Br)cc1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000842850136 661357022 /nfs/dbraw/zinc/35/70/22/661357022.db2.gz KYOIIFBWTOGJJJ-BDJZEXMMSA-N 1 0 385.327 2.825 20 0 GFADRO COC(=O)c1cc(S(=O)(=O)N2CCCC[C@@H]2CC[NH3+])c(Cl)cc1Cl ZINC000842860716 661357485 /nfs/dbraw/zinc/35/74/85/661357485.db2.gz WPALTYRXGYLPIJ-SNVBAGLBSA-N 1 0 395.308 2.672 20 0 GFADRO CCOC(=O)c1cc2cc(S(=O)(=O)NCCCCCC[NH3+])ccc2s1 ZINC000842916582 661360431 /nfs/dbraw/zinc/36/04/31/661360431.db2.gz QRCKRLZTJKETAF-UHFFFAOYSA-N 1 0 384.523 2.875 20 0 GFADRO C[C@H]([NH2+]C[C@H](O)c1ccccc1Br)[C@H](O)c1ccc2c(c1)OCO2 ZINC000843090508 661367388 /nfs/dbraw/zinc/36/73/88/661367388.db2.gz XYLSKTQNUPCHLY-GYOIFBIXSA-N 1 0 394.265 2.923 20 0 GFADRO Cc1ccc(OC[C@H](O)C[NH2+]C[C@@H](O)c2cccc(Br)c2)cc1 ZINC000843112288 661368870 /nfs/dbraw/zinc/36/88/70/661368870.db2.gz FZTMCADLUCWMGW-SJLPKXTDSA-N 1 0 380.282 2.820 20 0 GFADRO O[C@@H](C[NH2+]C[C@@H](O)c1cccc(Br)c1)COCc1ccccc1F ZINC000843113613 661369206 /nfs/dbraw/zinc/36/92/06/661369206.db2.gz ZEVXLSPWPKSVFX-FUHWJXTLSA-N 1 0 398.272 2.789 20 0 GFADRO Cn1ccnc1[C@H]([NH2+]C[C@H](O)c1cccc(Br)c1)C(C)(C)CO ZINC000843114660 661369240 /nfs/dbraw/zinc/36/92/40/661369240.db2.gz BTMMTKOVUXMHBM-GJZGRUSLSA-N 1 0 382.302 2.565 20 0 GFADRO O=C(CC[NH2+][C@H]1COc2ccccc2[C@@H]1O)Nc1ccc(Br)cc1 ZINC000843116704 661369677 /nfs/dbraw/zinc/36/96/77/661369677.db2.gz NQZLACMVMTZCNA-YJBOKZPZSA-N 1 0 391.265 2.862 20 0 GFADRO O[C@H](C[NH2+][C@H]1COc2ccccc2[C@@H]1O)COc1ccc(Cl)c(Cl)c1 ZINC000843117739 661369839 /nfs/dbraw/zinc/36/98/39/661369839.db2.gz SRGKDNNNYIBVMU-VOZBZGINSA-N 1 0 384.259 2.817 20 0 GFADRO CC(C)(C)OC(=O)N1C[C@@H](O)[C@H]([NH2+]C[C@@H](O)c2ccc(Cl)cc2Cl)C1 ZINC000843118720 661369993 /nfs/dbraw/zinc/36/99/93/661369993.db2.gz NOZMWAJDUJIYTQ-RBSFLKMASA-N 1 0 391.295 2.597 20 0 GFADRO Cn1ccnc1[C@H]([NH2+]C[C@H](O)c1ccccc1Br)C(C)(C)CO ZINC000843119494 661370177 /nfs/dbraw/zinc/37/01/77/661370177.db2.gz UUKVCKIHOKRRGM-GJZGRUSLSA-N 1 0 382.302 2.565 20 0 GFADRO C[C@@H](NC(=O)c1ccc(Br)s1)c1nc(CC2CC[NH2+]CC2)no1 ZINC000843132514 661370398 /nfs/dbraw/zinc/37/03/98/661370398.db2.gz CDCSLKUITNJEMR-SECBINFHSA-N 1 0 399.314 2.927 20 0 GFADRO Brc1cc2c(cc1Cc1nc(C3CC[NH2+]CC3)no1)OCCO2 ZINC000843138943 661370786 /nfs/dbraw/zinc/37/07/86/661370786.db2.gz KAIUAMBSUHYRAW-UHFFFAOYSA-N 1 0 380.242 2.661 20 0 GFADRO C[C@@]1(c2nc(CS(=O)(=O)c3cc(Cl)ccc3Cl)no2)CC[NH2+]C1 ZINC000843200186 661371880 /nfs/dbraw/zinc/37/18/80/661371880.db2.gz MOJKLRPNGMIJPR-CQSZACIVSA-N 1 0 376.265 2.601 20 0 GFADRO CC(C)[NH2+]CCc1nc(Cc2cc(Br)c3c(c2)OCCO3)no1 ZINC000843203719 661372465 /nfs/dbraw/zinc/37/24/65/661372465.db2.gz XCAKYHJTVBSPIJ-UHFFFAOYSA-N 1 0 382.258 2.735 20 0 GFADRO C[C@]1(c2nc(Cc3cccc(F)c3I)no2)CC[NH2+]C1 ZINC000843207398 661372575 /nfs/dbraw/zinc/37/25/75/661372575.db2.gz CPDABKZELOESMV-AWEZNQCLSA-N 1 0 387.196 2.655 20 0 GFADRO Brc1ccccc1-c1noc(-c2cn(C3CC[NH2+]CC3)nn2)n1 ZINC000843210587 661373070 /nfs/dbraw/zinc/37/30/70/661373070.db2.gz VUMRGDRAJXQPIL-UHFFFAOYSA-N 1 0 375.230 2.682 20 0 GFADRO CC(C)([NH3+])CCc1nc(-c2cccn3c(I)cnc23)no1 ZINC000843224482 661373633 /nfs/dbraw/zinc/37/36/33/661373633.db2.gz OVOLUDOKNJBBOM-UHFFFAOYSA-N 1 0 397.220 2.659 20 0 GFADRO Ic1ccc(OCc2noc(C[C@@H]3CCC[NH2+]3)n2)cc1 ZINC000843226775 661373862 /nfs/dbraw/zinc/37/38/62/661373862.db2.gz IMFZDPOXKXKZGZ-NSHDSACASA-N 1 0 385.205 2.548 20 0 GFADRO Brc1ccc(C2(c3noc(C[C@@H]4C[NH2+]CCO4)n3)CCC2)s1 ZINC000843227640 661374226 /nfs/dbraw/zinc/37/42/26/661374226.db2.gz FVNWZENLTXCCTR-SNVBAGLBSA-N 1 0 384.299 2.895 20 0 GFADRO C[NH+]1CCC2(CC1)CN(C(=S)Nc1ccc(Br)cc1)CCO2 ZINC000843284343 661375598 /nfs/dbraw/zinc/37/55/98/661375598.db2.gz VDDAMXUYYLZUKX-UHFFFAOYSA-N 1 0 384.343 2.943 20 0 GFADRO O=C(/C=C\c1cc(C(F)(F)F)ccc1Cl)NCCCN1CC[NH2+]CC1 ZINC000843290489 661376123 /nfs/dbraw/zinc/37/61/23/661376123.db2.gz MAPDEECEZSSZRH-DJWKRKHSSA-N 1 0 375.822 2.784 20 0 GFADRO O=S(=O)(CCN1CC[NH2+]C[C@H]1c1cccc(F)c1)c1ccc(Cl)cc1 ZINC000843378600 661378888 /nfs/dbraw/zinc/37/88/88/661378888.db2.gz GXBMWDAVJDNKEO-SFHVURJKSA-N 1 0 382.888 2.899 20 0 GFADRO C[C@H](Oc1cccc(Br)c1)C(=O)Nc1cnn(C2CC[NH2+]CC2)c1 ZINC000843455465 661382196 /nfs/dbraw/zinc/38/21/96/661382196.db2.gz AARJESRBCLKEOP-LBPRGKRZSA-N 1 0 393.285 2.976 20 0 GFADRO O=C(c1sccc1S(=O)(=O)C(F)F)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000843481960 661382967 /nfs/dbraw/zinc/38/29/67/661382967.db2.gz XSIBHKKXROGHHR-RYUDHWBXSA-N 1 0 392.493 2.596 20 0 GFADRO CCOC(=O)Nc1ccc(Br)cc1NC(=O)[C@H]1C[C@]12CC[NH2+]C2 ZINC000843491836 661383318 /nfs/dbraw/zinc/38/33/18/661383318.db2.gz MYOZCWTXVSTFOF-BZNIZROVSA-N 1 0 382.258 2.956 20 0 GFADRO O=C(CO[C@@H]1CCC[NH2+]C1)N1CCC(c2cccc(Br)c2)CC1 ZINC000843491650 661383345 /nfs/dbraw/zinc/38/33/45/661383345.db2.gz LYLVEBXRAVCTHV-QGZVFWFLSA-N 1 0 381.314 2.924 20 0 GFADRO Cc1cc(SC(C)(C)C)ccc1NC(=O)C1(S(C)(=O)=O)CC[NH2+]CC1 ZINC000844160291 661408892 /nfs/dbraw/zinc/40/88/92/661408892.db2.gz HCFGKJUGTQFGDE-UHFFFAOYSA-N 1 0 384.567 2.991 20 0 GFADRO CC(C)(COc1ncccc1Br)[NH2+]C[C@@H]1CN(C2CC2)C(=O)O1 ZINC000844318112 661414337 /nfs/dbraw/zinc/41/43/37/661414337.db2.gz SNVWDHNHOMAAPM-GFCCVEGCSA-N 1 0 384.274 2.574 20 0 GFADRO CCOc1cc(-c2noc([C@@H](N)CC[NH+](C)C)n2)cc(Br)c1O ZINC000844680325 661433488 /nfs/dbraw/zinc/43/34/88/661433488.db2.gz YSJVBTZECHFEMO-NSHDSACASA-N 1 0 385.262 2.555 20 0 GFADRO C[N@@H+]1CC[C@H]2[C@H](CCCN2Cn2nc(-c3ccc(Cl)s3)ccc2=O)C1 ZINC000844696478 661434693 /nfs/dbraw/zinc/43/46/93/661434693.db2.gz DVOVECIXRGVGFK-HIFRSBDPSA-N 1 0 378.929 2.999 20 0 GFADRO C[NH+](C)[C@H]1CCCN(CN2CC(c3ccc(Br)cc3)=CC2=O)C1 ZINC000844695576 661434729 /nfs/dbraw/zinc/43/47/29/661434729.db2.gz WEUHOCQKCKBLDJ-KRWDZBQOSA-N 1 0 378.314 2.658 20 0 GFADRO O=C(C1SCCCS1)N1CCO[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000844843314 661444735 /nfs/dbraw/zinc/44/47/35/661444735.db2.gz ZDJXGRQIBMJFJW-DLBZAZTESA-N 1 0 378.563 2.685 20 0 GFADRO CCN1CC[NH+](CCCCNC(=O)NCCC[C@H]2CC2(Cl)Cl)CC1 ZINC000844881089 661446015 /nfs/dbraw/zinc/44/60/15/661446015.db2.gz CCNAPVBCADCYGK-HNNXBMFYSA-N 1 0 379.376 2.677 20 0 GFADRO O=C(NCCC[C@@H]1CC1(Cl)Cl)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000845063388 661455055 /nfs/dbraw/zinc/45/50/55/661455055.db2.gz ISCBSJOMMXHCSY-YUELXQCFSA-N 1 0 378.344 2.637 20 0 GFADRO C[NH+](C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)OCc1ncc(Cl)s1 ZINC000845242937 661463034 /nfs/dbraw/zinc/46/30/34/661463034.db2.gz VBSXUOUCSKVUIW-JTQLQIEISA-N 1 0 377.894 2.685 20 0 GFADRO C[NH+](C)CCOc1cc(CNC(=O)c2snc(Cl)c2Cl)ccn1 ZINC000845901290 661505028 /nfs/dbraw/zinc/50/50/28/661505028.db2.gz BGIBZEAFXKVVNJ-UHFFFAOYSA-N 1 0 375.281 2.715 20 0 GFADRO [NH3+]CCCCCCN1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC000846217383 661538505 /nfs/dbraw/zinc/53/85/05/661538505.db2.gz FYPGAMIFMPHCIA-UHFFFAOYSA-N 1 0 394.368 2.819 20 0 GFADRO Cc1cc(Br)sc1S(=O)(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000846228397 661538842 /nfs/dbraw/zinc/53/88/42/661538842.db2.gz OFZXPNPVYUFBOK-ZDUSSCGKSA-N 1 0 379.345 2.583 20 0 GFADRO C[C@@H]1CCCN(S(=O)(=O)c2cc(Br)cnc2Cl)[C@@H]1CC[NH3+] ZINC000846232822 661539646 /nfs/dbraw/zinc/53/96/46/661539646.db2.gz VFJVHQCYKKTDJA-MWLCHTKSSA-N 1 0 396.738 2.636 20 0 GFADRO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCCN2S(=O)(=O)Cc2cc(Cl)ccc2F)C1 ZINC000846235497 661540008 /nfs/dbraw/zinc/54/00/08/661540008.db2.gz XBIFWDMWUSVCLT-DJIMGWMZSA-N 1 0 390.908 2.670 20 0 GFADRO Cc1cc(Br)nc(NC(=O)N2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)c1 ZINC000846310308 661544506 /nfs/dbraw/zinc/54/45/06/661544506.db2.gz LIMFTWPIOYLSSL-BFHYXJOUSA-N 1 0 397.317 2.903 20 0 GFADRO [NH3+]CC1(CCNC(=O)C(=O)Nc2ccc3cc(Br)ccc3c2)CC1 ZINC000846322484 661545413 /nfs/dbraw/zinc/54/54/13/661545413.db2.gz MPKLDBWWJTYHDK-UHFFFAOYSA-N 1 0 390.281 2.786 20 0 GFADRO O=C([C@@H]1CC[C@@H](C2CC2)[NH2+]1)N1CCO[C@H](c2ccccc2Br)C1 ZINC000846669925 661561452 /nfs/dbraw/zinc/56/14/52/661561452.db2.gz JZONYFDBOCINFF-ULQDDVLXSA-N 1 0 379.298 2.880 20 0 GFADRO CC[C@@H]1C[N@H+](C)CCCN1C(=O)COc1ccc(C=O)cc1Br ZINC000846989839 661572386 /nfs/dbraw/zinc/57/23/86/661572386.db2.gz WCMMTXFHWDMWNC-CQSZACIVSA-N 1 0 383.286 2.583 20 0 GFADRO CCO[C@@H]1C[N@H+](CC2(Br)CC2)C[C@H]1CNC(=O)OC(C)(C)C ZINC000847015936 661573297 /nfs/dbraw/zinc/57/32/97/661573297.db2.gz YRQMXZMJVPLTDW-CHWSQXEVSA-N 1 0 377.323 2.776 20 0 GFADRO O=C(Nc1ccc(Br)nc1)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000847157711 661577817 /nfs/dbraw/zinc/57/78/17/661577817.db2.gz GJRXKCDPSQUEEE-CQSZACIVSA-N 1 0 383.290 2.563 20 0 GFADRO C[C@@H](CNC(=O)c1cccnc1SC(F)(F)F)N1C[C@@H](C)O[C@@H](C)C1 ZINC000847181758 661579823 /nfs/dbraw/zinc/57/98/23/661579823.db2.gz LDSZXQPGDNXODL-SDDRHHMPSA-N 1 0 377.432 2.921 20 0 GFADRO CC[NH+](CC)CCCCNC(=O)c1ccccc1S(=O)(=O)C(F)(F)F ZINC000847489730 661594677 /nfs/dbraw/zinc/59/46/77/661594677.db2.gz ZPUOMSPSWJMZMK-UHFFFAOYSA-N 1 0 380.432 2.832 20 0 GFADRO Nc1c(Cl)cc(NC(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1Cl ZINC000847608104 661601566 /nfs/dbraw/zinc/60/15/66/661601566.db2.gz QIJCAAXARDVNQG-KGLIPLIRSA-N 1 0 385.295 2.647 20 0 GFADRO C[N@@H+]1CC[C@H](CCOC(=O)c2cccc(F)c2I)C1 ZINC000847823623 661611962 /nfs/dbraw/zinc/61/19/62/661611962.db2.gz NBTDCHOTYHCHMU-SNVBAGLBSA-N 1 0 377.197 2.929 20 0 GFADRO CC[NH+](CC)CC[C@H](CO)NC(=O)C(F)(F)c1ccccc1Br ZINC000848024695 661621208 /nfs/dbraw/zinc/62/12/08/661621208.db2.gz IXYMSJAIRKATCH-GFCCVEGCSA-N 1 0 393.272 2.750 20 0 GFADRO Cn1cc(Br)c(COC(=O)[C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000848777394 661683065 /nfs/dbraw/zinc/68/30/65/661683065.db2.gz PNPNDCRNUGZJSW-AWEZNQCLSA-N 1 0 378.270 2.748 20 0 GFADRO Cc1ccc(CNC(=[NH2+])NCCNC(=O)c2ccc(Br)cc2)cc1 ZINC000849066206 661691141 /nfs/dbraw/zinc/69/11/41/661691141.db2.gz HWWZSCXIMOXLSY-UHFFFAOYSA-N 1 0 389.297 2.801 20 0 GFADRO COc1ccc(C[C@H](CO)CNC(=[NH2+])N2CCC[C@H](C)C2)cc1Br ZINC000849115216 661693094 /nfs/dbraw/zinc/69/30/94/661693094.db2.gz KCLQMABOCMQFGY-ZFWWWQNUSA-N 1 0 398.345 2.865 20 0 GFADRO CO[C@H](C[NH2+]C[C@](C)(O)c1ccc(Br)cc1Cl)[C@@H]1CCOC1 ZINC000849326376 661705831 /nfs/dbraw/zinc/70/58/31/661705831.db2.gz ABRNQBRXCUCFMY-LYRGGWFBSA-N 1 0 392.721 2.951 20 0 GFADRO O=C1N[C@H](c2ccccc2Br)C(=O)N1C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000849351154 661708198 /nfs/dbraw/zinc/70/81/98/661708198.db2.gz CLLLVJABMXYJET-XHDPSFHLSA-N 1 0 378.270 2.526 20 0 GFADRO Nc1ncc(C[NH+]2CCC([C@@H]3CCCN(C(=O)C(F)(F)F)C3)CC2)s1 ZINC000849352943 661708883 /nfs/dbraw/zinc/70/88/83/661708883.db2.gz SZYAAYDHKSPFOP-GFCCVEGCSA-N 1 0 376.448 2.738 20 0 GFADRO C[C@@H](C1=CC[N@H+](C)CC1)N1C(=O)N[C@@H](c2ccccc2Br)C1=O ZINC000849354838 661709118 /nfs/dbraw/zinc/70/91/18/661709118.db2.gz WZLCOBSWHANASV-NHYWBVRUSA-N 1 0 378.270 2.692 20 0 GFADRO CC(C)[N@@H+]1CC[C@@H](C(=O)NCc2cnc(Cl)s2)[C@@H](c2cnn(C)c2)C1 ZINC000849585387 661734724 /nfs/dbraw/zinc/73/47/24/661734724.db2.gz LNQWMYROKDSQHA-HUUCEWRRSA-N 1 0 381.933 2.660 20 0 GFADRO CN(C)c1ccc(N2CCC([NH2+]CC[S@@](=O)CC(F)(F)F)CC2)cc1 ZINC000850350235 661771322 /nfs/dbraw/zinc/77/13/22/661771322.db2.gz QMUQGGHIUBHBRX-RUZDIDTESA-N 1 0 377.476 2.622 20 0 GFADRO O=S(=O)(CC[NH2+]Cc1c[nH]nc1-c1cccc(Cl)c1)CC(F)(F)F ZINC000850364366 661772361 /nfs/dbraw/zinc/77/23/61/661772361.db2.gz CJVGZVPDTYGMTL-UHFFFAOYSA-N 1 0 381.807 2.797 20 0 GFADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]CC[C@]1(C)CC1(F)F ZINC000850380510 661773417 /nfs/dbraw/zinc/77/34/17/661773417.db2.gz HPZVXEPQLRPREE-BXUZGUMPSA-N 1 0 381.876 2.730 20 0 GFADRO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]CC[C@@]1(C)CC1(F)F ZINC000850380511 661773781 /nfs/dbraw/zinc/77/37/81/661773781.db2.gz HPZVXEPQLRPREE-FZMZJTMJSA-N 1 0 381.876 2.730 20 0 GFADRO CCOc1cc(C[NH2+]CC2SCCS2)ccc1O[C@@H](C)C(=O)N(C)C ZINC000850400606 661775070 /nfs/dbraw/zinc/77/50/70/661775070.db2.gz IDWHBOLVPXURKC-ZDUSSCGKSA-N 1 0 384.567 2.837 20 0 GFADRO C[C@H]([NH2+]CC[S@](=O)CC(F)(F)F)c1cc(Br)ncc1F ZINC000850495835 661779438 /nfs/dbraw/zinc/77/94/38/661779438.db2.gz JQGHTWXEFBVRID-JKNYTWMOSA-N 1 0 377.201 2.945 20 0 GFADRO CC1(C)[C@H]([NH2+]CCS(=O)(=O)CC(F)(F)F)C[C@H]1OCc1ccccc1 ZINC000850518309 661780076 /nfs/dbraw/zinc/78/00/76/661780076.db2.gz DYFRZTQCPMICHV-HUUCEWRRSA-N 1 0 379.444 2.937 20 0 GFADRO COc1cc([C@H](C)[NH2+]CC2CCC(O)CC2)ccc1S(=O)(=O)C(F)F ZINC000850556599 661781529 /nfs/dbraw/zinc/78/15/29/661781529.db2.gz SDTQLYFVZIHAAC-DCBWTQNWSA-N 1 0 377.453 2.893 20 0 GFADRO C[C@H]([NH2+]CCN1C[C@H]2CCCCN2C1=O)c1cc(Br)ncc1F ZINC000850563367 661781580 /nfs/dbraw/zinc/78/15/80/661781580.db2.gz WXQNQFBNYVEZEV-NWDGAFQWSA-N 1 0 385.281 2.924 20 0 GFADRO C[C@H]1CCCN(C(=O)c2cccc(S(=O)(=O)C(F)(F)F)c2)[C@H]1CC[NH3+] ZINC000851642147 661827502 /nfs/dbraw/zinc/82/75/02/661827502.db2.gz SXRZKNJVTUCYET-FZMZJTMJSA-N 1 0 378.416 2.570 20 0 GFADRO Cn1c(C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)ccc1-c1ccccc1Br ZINC000851648639 661827768 /nfs/dbraw/zinc/82/77/68/661827768.db2.gz MEENRABZFPLLAN-ZIAGYGMSSA-N 1 0 380.261 2.966 20 0 GFADRO CC[N@H+](Cc1cccc(Br)c1)C[C@](O)(C(N)=O)c1ccccc1 ZINC000851738617 661830009 /nfs/dbraw/zinc/83/00/09/661830009.db2.gz MLABNPUTYGHCQR-GOSISDBHSA-N 1 0 377.282 2.644 20 0 GFADRO CC(C)C[N@H+](CCn1cnc(Br)n1)C[C@@H](O)c1ccc(F)cc1 ZINC000851782844 661831984 /nfs/dbraw/zinc/83/19/84/661831984.db2.gz FRNJEFUVZWLMNM-OAHLLOKOSA-N 1 0 385.281 2.871 20 0 GFADRO C[C@H]([NH2+]C[C@H](O)c1ccccn1)c1cc2c(cc1Br)OCCO2 ZINC000851896828 661844842 /nfs/dbraw/zinc/84/48/42/661844842.db2.gz MJAVABHABUWJRN-NHYWBVRUSA-N 1 0 379.254 3.000 20 0 GFADRO COC(=O)C(C)(C)[C@@H]([NH2+]CCn1cnc(Br)n1)c1ccccc1 ZINC000851904736 661845522 /nfs/dbraw/zinc/84/55/22/661845522.db2.gz AIWWZHDHTORBIZ-ZDUSSCGKSA-N 1 0 381.274 2.571 20 0 GFADRO CC(C)([NH2+]C[C@](O)(C(N)=O)c1ccccc1)c1ccccc1Br ZINC000851905412 661845564 /nfs/dbraw/zinc/84/55/64/661845564.db2.gz FZBZUCQGMWPHNQ-GOSISDBHSA-N 1 0 377.282 2.647 20 0 GFADRO CC[C@H]1Oc2cc([C@H](C)[NH2+]CCn3cnc(Br)n3)ccc2NC1=O ZINC000851904423 661845591 /nfs/dbraw/zinc/84/55/91/661845591.db2.gz WLQSPKHUBGJXBQ-GXFFZTMASA-N 1 0 394.273 2.501 20 0 GFADRO CCOP(=O)(OCC)[C@H](O)C[N@@H+]1CC[C@H](NC(=O)OC(C)(C)C)[C@@H]1C ZINC000852050481 661850847 /nfs/dbraw/zinc/85/08/47/661850847.db2.gz LUNQPKRDOXSNDZ-IHRRRGAJSA-N 1 0 380.422 2.558 20 0 GFADRO Brc1ncn(CC[NH2+][C@@H]2c3ccccc3CC23CCOCC3)n1 ZINC000852063323 661851265 /nfs/dbraw/zinc/85/12/65/661851265.db2.gz QGAMNMGTUBQWSS-OAHLLOKOSA-N 1 0 377.286 2.724 20 0 GFADRO NC(=O)[C@@](O)(C[N@@H+]1CC[C@@H](c2cccc(Br)c2)C1)c1ccccc1 ZINC000852136551 661854123 /nfs/dbraw/zinc/85/41/23/661854123.db2.gz ZBNHKSAOCWGSIX-DNVCBOLYSA-N 1 0 389.293 2.612 20 0 GFADRO O=C(N1CC[N@@H+](CC2(O)CCSCC2)CC12CCCCC2)C(F)(F)F ZINC000852219662 661856955 /nfs/dbraw/zinc/85/69/55/661856955.db2.gz WCPJXIZJYPAURH-UHFFFAOYSA-N 1 0 380.476 2.654 20 0 GFADRO CCOP(=O)(OCC)[C@H](O)C[N@@H+]1CC[C@H](C(=O)OC)[C@H]2CCCC[C@H]21 ZINC000852493773 661865900 /nfs/dbraw/zinc/86/59/00/661865900.db2.gz TUWMQTFRXVNDFS-QXSJWSMHSA-N 1 0 377.418 2.625 20 0 GFADRO Ic1cnnn1C1CC[NH+](CCc2cccs2)CC1 ZINC000852532897 661866605 /nfs/dbraw/zinc/86/66/05/661866605.db2.gz ROIHVGCUJJBFMD-UHFFFAOYSA-N 1 0 388.278 2.824 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)c1cnn(-c2ccccc2)c1Br ZINC000852793353 661874489 /nfs/dbraw/zinc/87/44/89/661874489.db2.gz YGJYUIRJTBLBAL-WFASDCNBSA-N 1 0 377.286 2.977 20 0 GFADRO CC(C)(C)n1cc(Br)c(C(=O)NCc2ccc(CC[NH3+])cc2)n1 ZINC000852794244 661874495 /nfs/dbraw/zinc/87/44/95/661874495.db2.gz NUEYNIBTEGFSEK-UHFFFAOYSA-N 1 0 379.302 2.832 20 0 GFADRO [NH3+]C[C@@H]1CC(C(=O)Nc2ncc(Cc3ccc(Br)cc3)s2)=NO1 ZINC000852805540 661874929 /nfs/dbraw/zinc/87/49/29/661874929.db2.gz CIFSZKACMMFBFF-NSHDSACASA-N 1 0 395.282 2.539 20 0 GFADRO O=C(C=C1CC[NH2+]CC1)N1CCN(C(=O)c2cccc(Cl)c2Cl)CC1 ZINC000852813919 661875084 /nfs/dbraw/zinc/87/50/84/661875084.db2.gz IZGXWLSZLNXJJZ-UHFFFAOYSA-N 1 0 382.291 2.588 20 0 GFADRO O=C(c1ccc(C(F)(F)Br)nc1)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000852821041 661875260 /nfs/dbraw/zinc/87/52/60/661875260.db2.gz XNEFVJPAQCNBGX-AAEUAGOBSA-N 1 0 388.256 2.988 20 0 GFADRO C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)C=C2CC[NH2+]CC2)CC1 ZINC000852869751 661876013 /nfs/dbraw/zinc/87/60/13/661876013.db2.gz KPDDPZBXKSHWKV-HNNXBMFYSA-N 1 0 392.341 2.964 20 0 GFADRO O=C(c1sccc1S(=O)(=O)C(F)F)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000852898806 661876665 /nfs/dbraw/zinc/87/66/65/661876665.db2.gz OOYAUHSJGKOJFI-LBPRGKRZSA-N 1 0 392.493 2.596 20 0 GFADRO CCC[C@](C)([NH3+])C(=O)N1CC[C@@]2(C)[C@@H](C1)C2(Br)Br ZINC000852901511 661876765 /nfs/dbraw/zinc/87/67/65/661876765.db2.gz JRQUFBCODCNEAA-USWWRNFRSA-N 1 0 382.140 2.858 20 0 GFADRO O=C1CC[C@@H]2C[N@H+](Cn3ccc(-c4ccc(Br)cc4)n3)CC[C@@H]2N1 ZINC000853556579 661892348 /nfs/dbraw/zinc/89/23/48/661892348.db2.gz FXVQTXFQEKAGRE-ZBFHGGJFSA-N 1 0 389.297 2.871 20 0 GFADRO O=C1C=C(c2ccc(Br)cc2)CN1C[N@@H+]1CC[C@@H]2COC[C@H]2C1 ZINC000853588315 661893809 /nfs/dbraw/zinc/89/38/09/661893809.db2.gz GKWVQWGOUDVJMX-GDBMZVCRSA-N 1 0 377.282 2.601 20 0 GFADRO OCCC[N@@H+]1CCC[C@@H]1CNc1nc(Cl)nc2c(Br)c[nH]c21 ZINC000853651836 661896251 /nfs/dbraw/zinc/89/62/51/661896251.db2.gz QPXWBUFURMRSFK-SECBINFHSA-N 1 0 388.697 2.633 20 0 GFADRO O=C(CC[N@@H+]1CCc2ccccc2C1)NCc1cnc(Br)s1 ZINC000854355921 661928649 /nfs/dbraw/zinc/92/86/49/661928649.db2.gz UZCDTDVSAGPFPB-UHFFFAOYSA-N 1 0 380.311 2.970 20 0 GFADRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)[C@]1(C)CC1(Br)Br ZINC000854430836 661932882 /nfs/dbraw/zinc/93/28/82/661932882.db2.gz MEMNTRBUIFWVCV-MDZLAQPJSA-N 1 0 394.151 2.968 20 0 GFADRO C[NH+]1CCC(N(Cc2ccccc2Br)C(=O)Cc2ncc[nH]2)CC1 ZINC000854504710 661937727 /nfs/dbraw/zinc/93/77/27/661937727.db2.gz SFKIJFSDPZHQBY-UHFFFAOYSA-N 1 0 391.313 2.838 20 0 GFADRO Cc1csc([C@](O)(CC(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)C(F)(F)F)n1 ZINC000855290050 661983236 /nfs/dbraw/zinc/98/32/36/661983236.db2.gz XWAZKXCDVLOHFZ-XHDPSFHLSA-N 1 0 379.448 2.581 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)COc2ccc(C=O)cc2Br)C1 ZINC000855289656 661983356 /nfs/dbraw/zinc/98/33/56/661983356.db2.gz UBCAQJUQJWAVRR-CYBMUJFWSA-N 1 0 383.286 2.629 20 0 GFADRO CCC[N@@H+]1CC[C@H](NC(=O)c2cnn(-c3ccccc3)c2Br)C1 ZINC000856073018 662018267 /nfs/dbraw/zinc/01/82/67/662018267.db2.gz HSLPWGCGUXDADR-ZDUSSCGKSA-N 1 0 377.286 2.849 20 0 GFADRO CN(C)c1nc(Cl)c(C(=O)N2CC3(CCCC3)OC[C@H]2C[NH+](C)C)s1 ZINC000856412503 662032392 /nfs/dbraw/zinc/03/23/92/662032392.db2.gz PALGLLHLAYHZKQ-GFCCVEGCSA-N 1 0 386.949 2.578 20 0 GFADRO COc1ccc([C@H](CNc2cnc(Br)cn2)[NH+](C)C)cc1OC ZINC000856719923 662038277 /nfs/dbraw/zinc/03/82/77/662038277.db2.gz WWACUOSDDFCVRM-LBPRGKRZSA-N 1 0 381.274 2.971 20 0 GFADRO O=C(NCC[C@@H]1CC1(Cl)Cl)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000856847345 662047312 /nfs/dbraw/zinc/04/73/12/662047312.db2.gz NSLHGUPIIUXYOD-CVEARBPZSA-N 1 0 386.323 2.636 20 0 GFADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)N1CC(O)(c2cccc(Br)c2)C1 ZINC000856878451 662049118 /nfs/dbraw/zinc/04/91/18/662049118.db2.gz SLBLUECCYMKZLI-INIZCTEOSA-N 1 0 396.329 2.536 20 0 GFADRO CC(C)[N@@H+]1CC[C@H](C(=O)NCC[C@@H]2CC2(Cl)Cl)[C@@H](c2cnn(C)c2)C1 ZINC000857372275 662076414 /nfs/dbraw/zinc/07/64/14/662076414.db2.gz SCSYQPFZPYDCQM-OWCLPIDISA-N 1 0 387.355 2.934 20 0 GFADRO CC[N@@H+]1C[C@H](C)N(C(=O)[C@]2(C)CC2(Br)Br)C[C@H]1C ZINC000857601413 662082796 /nfs/dbraw/zinc/08/27/96/662082796.db2.gz KZNSEFZHMPKYMZ-SCVCMEIPSA-N 1 0 382.140 2.824 20 0 GFADRO C[NH+](C)[C@H]1CCc2ccccc2N(C(=O)CCn2cc(Br)cn2)C1 ZINC000857931455 662094763 /nfs/dbraw/zinc/09/47/63/662094763.db2.gz WIVDVUWQHLZJJN-INIZCTEOSA-N 1 0 391.313 2.945 20 0 GFADRO Cc1c(C[NH2+][C@@H]2CCCC[C@H]2NS(C)(=O)=O)sc2nc(C)nc(C)c12 ZINC000858252327 662106211 /nfs/dbraw/zinc/10/62/11/662106211.db2.gz CADHEWYGCLGCAP-ZIAGYGMSSA-N 1 0 382.555 2.567 20 0 GFADRO O[C@H]1CC[N@H+](CCNCc2c(F)ccc(C(F)(F)F)c2Br)C1 ZINC000858340751 662109244 /nfs/dbraw/zinc/10/92/44/662109244.db2.gz MWNPUPDJBPZRQW-VIFPVBQESA-N 1 0 385.199 2.763 20 0 GFADRO CC[C@@H]([NH2+][C@@H]1CC=C(C(=O)OC)C1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000858475294 662112880 /nfs/dbraw/zinc/11/28/80/662112880.db2.gz XYKGXQVNKMMMGU-UKRRQHHQSA-N 1 0 386.901 2.551 20 0 GFADRO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)[C@H]2C[C@]2(C)Br)c1 ZINC000858533443 662114325 /nfs/dbraw/zinc/11/43/25/662114325.db2.gz SXLFSDUPQBSCGH-QAPCUYQASA-N 1 0 396.329 2.870 20 0 GFADRO COc1ccc2nc(Cl)ccc2c1S(=O)(=O)N1CC[NH2+]C[C@H]1C(C)C ZINC000858615224 662116392 /nfs/dbraw/zinc/11/63/92/662116392.db2.gz GCBBKPLTSYYNQO-AWEZNQCLSA-N 1 0 383.901 2.515 20 0 GFADRO CC[NH+](CC)[C@H](C)CNS(=O)(=O)c1ccc(NC(=O)OC)c(Cl)c1 ZINC000858900262 662126959 /nfs/dbraw/zinc/12/69/59/662126959.db2.gz NHUZDAHQQKNKKA-LLVKDONJSA-N 1 0 377.894 2.527 20 0 GFADRO CCC[N@H+](CC)C[C@H](C)NS(=O)(=O)c1ccc(NC(=O)OC)c(Cl)c1 ZINC000859166045 662141876 /nfs/dbraw/zinc/14/18/76/662141876.db2.gz PFOYBQKWRFGRIF-LBPRGKRZSA-N 1 0 391.921 2.917 20 0 GFADRO O=C(OCc1ccc(Br)cc1)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000859229911 662146555 /nfs/dbraw/zinc/14/65/55/662146555.db2.gz QLTSEHWRENMHCJ-MRXNPFEDSA-N 1 0 383.286 2.617 20 0 GFADRO CN(C)c1cc(C[NH2+][C@]2(CO)CCc3cc(Br)ccc3C2)ccn1 ZINC000859574057 662168274 /nfs/dbraw/zinc/16/82/74/662168274.db2.gz GUTINKBXIXMBRC-LJQANCHMSA-N 1 0 390.325 2.920 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)Nc2cccc(Br)n2)CC[C@@H]1C(F)(F)F ZINC000859677539 662172056 /nfs/dbraw/zinc/17/20/56/662172056.db2.gz JYEPJGPVBCDZLA-IUCAKERBSA-N 1 0 381.196 2.835 20 0 GFADRO C[C@@H]([NH3+])CN(C)C(=O)Nc1nc2ccc(I)cc2s1 ZINC000859682354 662172235 /nfs/dbraw/zinc/17/22/35/662172235.db2.gz WUKUDPDINBWVII-SSDOTTSWSA-N 1 0 390.250 2.712 20 0 GFADRO COC(=O)Cn1cc(C[N@@H+]2C[C@@H](c3ccc(Br)cc3)C[C@@H]2C)nn1 ZINC000859961315 662180490 /nfs/dbraw/zinc/18/04/90/662180490.db2.gz WVVIQFXWTRFNLL-JSGCOSHPSA-N 1 0 393.285 2.592 20 0 GFADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)/C=C/c1csc(C(F)(F)F)c1 ZINC000860915906 662220680 /nfs/dbraw/zinc/22/06/80/662220680.db2.gz KTLGGCKXPLQTHH-ITDFMYJTSA-N 1 0 375.460 2.922 20 0 GFADRO CO[C@H]1C[N@H+](C)[C@@](C)(COC(=O)c2c(C)nc3ccc(Br)cn32)C1 ZINC000861350754 662241614 /nfs/dbraw/zinc/24/16/14/662241614.db2.gz FPIJVPQPZYZMBM-CXAGYDPISA-N 1 0 396.285 2.671 20 0 GFADRO CO[C@H]1C[N@H+](C)[C@](C)(COC(=O)[C@H](C)Oc2ccc(Br)cc2)C1 ZINC000861354278 662242139 /nfs/dbraw/zinc/24/21/39/662242139.db2.gz YLCCMFKWSAMPSJ-MJEQTWJJSA-N 1 0 386.286 2.869 20 0 GFADRO CSc1ccc(NC(=O)C(=O)NCCCCCC[NH3+])cc1Br ZINC000861506520 662248506 /nfs/dbraw/zinc/24/85/06/662248506.db2.gz NLUAPKDTFPIOMP-UHFFFAOYSA-N 1 0 388.331 2.745 20 0 GFADRO CCC(CC)(CNC(=O)C(=O)N(C)C[C@@H](C)[NH3+])c1ccc(Cl)c(Cl)c1 ZINC000861765070 662257951 /nfs/dbraw/zinc/25/79/51/662257951.db2.gz KTUNLEWJIORLST-GFCCVEGCSA-N 1 0 388.339 2.973 20 0 GFADRO Cc1nc(SC(F)F)sc1CC(=O)N1CCC([NH+]2CCOCC2)CC1 ZINC000862214474 662273888 /nfs/dbraw/zinc/27/38/88/662273888.db2.gz RWTAEHAIKVQZBV-UHFFFAOYSA-N 1 0 391.509 2.632 20 0 GFADRO O=C(NC[C@H]1CC[N@@H+]1C1CCCCC1)c1c(Br)nc2n1CCC2 ZINC000862627525 662295099 /nfs/dbraw/zinc/29/50/99/662295099.db2.gz BNUZSRXGYORLCE-CYBMUJFWSA-N 1 0 381.318 2.729 20 0 GFADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=S)Nc1ccc(Cl)cc1Cl ZINC000863212387 662315008 /nfs/dbraw/zinc/31/50/08/662315008.db2.gz XLYRTFQRDIYECS-ZDUSSCGKSA-N 1 0 375.325 2.620 20 0 GFADRO Cc1c(Cl)cnn1C[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C(F)(F)F)C1 ZINC000863330407 662321256 /nfs/dbraw/zinc/32/12/56/662321256.db2.gz LZMVISNYBHSJRS-MNXVOIDGSA-N 1 0 376.810 2.534 20 0 GFADRO Cn1nc(C(F)(F)F)c(CN2CCC(CO[C@H]3CC[NH2+]C3)CC2)c1Cl ZINC000863575711 662336855 /nfs/dbraw/zinc/33/68/55/662336855.db2.gz RJESKJOCLUXSLV-LBPRGKRZSA-N 1 0 380.842 2.683 20 0 GFADRO C[NH+](C)[C@@H]1C[C@@H](NC(=O)[C@]2(C)CC2(Br)Br)C12CCC2 ZINC000864069796 662353560 /nfs/dbraw/zinc/35/35/60/662353560.db2.gz IEBMAFZTRYCQHT-FOGDFJRCSA-N 1 0 394.151 2.872 20 0 GFADRO C[NH+](C)C[C@H](NC(=S)NC[C@H]1CCOC1)c1cccc(C(F)(F)F)c1 ZINC000865243013 662407234 /nfs/dbraw/zinc/40/72/34/662407234.db2.gz KYCGEILWPKWAEN-DOMZBBRYSA-N 1 0 375.460 2.809 20 0 GFADRO CC(C)(O)C[N@@H+]1CC[C@H](NC(=S)Nc2ccc(OC(F)(F)F)cc2)C1 ZINC000865243087 662407265 /nfs/dbraw/zinc/40/72/65/662407265.db2.gz KBJKWSIHJCSPJF-LBPRGKRZSA-N 1 0 377.432 2.717 20 0 GFADRO CCc1cc(N2CCC[C@@H]([NH2+]Cc3cccnc3Br)C2)ncn1 ZINC000865459487 662423014 /nfs/dbraw/zinc/42/30/14/662423014.db2.gz HAKYYRZJVBIQFF-OAHLLOKOSA-N 1 0 376.302 2.955 20 0 GFADRO Cn1ncc2cc(C[NH2+]C[C@@H](CO)Cc3cccc(Br)c3)cnc21 ZINC000865543607 662428119 /nfs/dbraw/zinc/42/81/19/662428119.db2.gz SCVSZAZOXSYYJJ-HNNXBMFYSA-N 1 0 389.297 2.672 20 0 GFADRO C[C@@H](CCNS(=O)(=O)c1ccccc1)[NH2+]Cc1cccnc1Br ZINC000865559394 662429235 /nfs/dbraw/zinc/42/92/35/662429235.db2.gz ZRYDZOSPVNHOKV-ZDUSSCGKSA-N 1 0 398.326 2.691 20 0 GFADRO O=C(c1cc(Br)cn2ccnc12)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000865576951 662430242 /nfs/dbraw/zinc/43/02/42/662430242.db2.gz YBABYXGPUYZTJY-AWEZNQCLSA-N 1 0 377.286 2.797 20 0 GFADRO CCCn1cc(C[NH2+]C[C@@H](CO)Cc2cc(Br)ccc2F)nn1 ZINC000865591805 662430989 /nfs/dbraw/zinc/43/09/89/662430989.db2.gz NDMXSXAJZKUTAQ-LBPRGKRZSA-N 1 0 385.281 2.531 20 0 GFADRO COc1cc(CN[C@H]2CC[N@H+](CC(C)(C)O)C2)c(F)cc1Br ZINC000865659908 662434979 /nfs/dbraw/zinc/43/49/79/662434979.db2.gz HNWNVNOIXZHIOL-LBPRGKRZSA-N 1 0 375.282 2.532 20 0 GFADRO Brc1ccc2ncc(C[NH2+]C[C@@H]3CC4(CO3)CCOCC4)n2c1 ZINC000865780110 662443160 /nfs/dbraw/zinc/44/31/60/662443160.db2.gz DYTBNPWCLIYVTN-HNNXBMFYSA-N 1 0 380.286 2.772 20 0 GFADRO CC[NH+](CC)[C@H](C)CNC(=O)c1cnn(C(C)C)c1I ZINC000865790485 662443702 /nfs/dbraw/zinc/44/37/02/662443702.db2.gz YHFMQOOOOKKTAL-LLVKDONJSA-N 1 0 392.285 2.529 20 0 GFADRO C[C@H](CNC(=O)c1ccc2ccc(Br)cc2c1)N1CC[NH+](C)CC1 ZINC000865816209 662445185 /nfs/dbraw/zinc/44/51/85/662445185.db2.gz BTMHIZFTIGZLEQ-CQSZACIVSA-N 1 0 390.325 2.968 20 0 GFADRO CN(C)C(=O)c1ccc(C[NH2+][C@@H]2COc3cccc(Br)c3C2)[nH]1 ZINC000865820832 662445549 /nfs/dbraw/zinc/44/55/49/662445549.db2.gz YBQYBSHXTMWUKG-LBPRGKRZSA-N 1 0 378.270 2.572 20 0 GFADRO C[NH+](C)C[C@@H]1CCN(C(=O)c2cc(Br)ncc2Br)C1 ZINC000865856239 662447559 /nfs/dbraw/zinc/44/75/59/662447559.db2.gz CWBUTABRBOHJJR-VIFPVBQESA-N 1 0 391.107 2.630 20 0 GFADRO Cn1ncc(I)c1C[NH2+]C[C@@H]1CCOc2ccccc21 ZINC000865869094 662448695 /nfs/dbraw/zinc/44/86/95/662448695.db2.gz WHOVSMZEGBKKNK-NSHDSACASA-N 1 0 383.233 2.681 20 0 GFADRO COc1cc(I)ccc1C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000866071254 662459525 /nfs/dbraw/zinc/45/95/25/662459525.db2.gz FXJIZURPXVKXPG-ZYHUDNBSSA-N 1 0 388.249 2.512 20 0 GFADRO C[C@H]1C[C@H](NC(=O)c2cc(Br)ncc2Br)CC[N@@H+]1C ZINC000866072677 662459529 /nfs/dbraw/zinc/45/95/29/662459529.db2.gz MFNYQJJKUUVGRY-DTWKUNHWSA-N 1 0 391.107 2.819 20 0 GFADRO O=C(c1cc(F)c(Br)cc1F)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000866379116 662469644 /nfs/dbraw/zinc/46/96/44/662469644.db2.gz GFPFJPZWPOVBJR-NSHDSACASA-N 1 0 389.240 2.522 20 0 GFADRO C[C@@H]([NH2+]CC[C@H]1CCSC1)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000866402269 662470444 /nfs/dbraw/zinc/47/04/44/662470444.db2.gz IZMLNLPCBZXYKC-CVEARBPZSA-N 1 0 384.567 2.501 20 0 GFADRO COC1CC[NH+](CCNC(=O)Cc2ccc(Br)cc2Cl)CC1 ZINC000866415928 662471628 /nfs/dbraw/zinc/47/16/28/662471628.db2.gz IOXQIXQTMHUPEO-UHFFFAOYSA-N 1 0 389.721 2.872 20 0 GFADRO C[C@H]([NH2+]CC[C@@H]1CCCS1)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000866479718 662476027 /nfs/dbraw/zinc/47/60/27/662476027.db2.gz YGMVFBKQHGEUFO-RDJZCZTQSA-N 1 0 384.567 2.644 20 0 GFADRO NS(=O)(=O)c1ccc2c(c1)[C@H]([NH2+]CCSCCC(F)(F)F)CCC2 ZINC000866542076 662479651 /nfs/dbraw/zinc/47/96/51/662479651.db2.gz DXTWZPUBYCNCPA-CQSZACIVSA-N 1 0 382.473 2.987 20 0 GFADRO O=S(=O)(c1cc2nc(Cl)ncc2s1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000866615210 662483995 /nfs/dbraw/zinc/48/39/95/662483995.db2.gz CMCVZEAFNQWTPR-LLVKDONJSA-N 1 0 386.930 2.594 20 0 GFADRO Brc1ccc2c(c1)[C@@H]1[C@H](C2)[C@@H]1[NH2+]C1CCN([C@@H]2CCOC2)CC1 ZINC000866609584 662484018 /nfs/dbraw/zinc/48/40/18/662484018.db2.gz HUMXJIGMZYHLCU-LULLPPNCSA-N 1 0 377.326 2.930 20 0 GFADRO C[C@@H](Cc1ccc(Br)cc1)[NH2+]Cc1nc2c(c(=O)[nH]1)COCC2 ZINC000866628667 662484798 /nfs/dbraw/zinc/48/47/98/662484798.db2.gz LTNYDPAHWVCGKY-NSHDSACASA-N 1 0 378.270 2.738 20 0 GFADRO Cc1ccc(Br)c(CS(=O)(=O)NC[C@]2(C)CCC[NH2+]C2)c1 ZINC000866760444 662495308 /nfs/dbraw/zinc/49/53/08/662495308.db2.gz KGEZMMMZWHCBCO-OAHLLOKOSA-N 1 0 375.332 2.567 20 0 GFADRO [NH3+]CCN(CCc1ccccc1)S(=O)(=O)c1cc2nc(Cl)ncc2s1 ZINC000866763377 662495815 /nfs/dbraw/zinc/49/58/15/662495815.db2.gz KPEPJZUOJSFKOC-UHFFFAOYSA-N 1 0 396.925 2.537 20 0 GFADRO O=S(=O)(c1ccc2ccnc(Cl)c2c1)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000866770141 662496293 /nfs/dbraw/zinc/49/62/93/662496293.db2.gz UZYMDJRZVZUOKX-CABCVRRESA-N 1 0 379.913 2.898 20 0 GFADRO [NH3+][C@H]1CCO[C@@H](C2CCN(S(=O)(=O)Cc3ccc(F)cc3Cl)CC2)C1 ZINC000866772308 662496611 /nfs/dbraw/zinc/49/66/11/662496611.db2.gz RHIKJCIIKQNTCG-DOTOQJQBSA-N 1 0 390.908 2.527 20 0 GFADRO Cc1ccc(Br)c(CS(=O)(=O)N[C@H]2CC[C@H](C[NH3+])CC2)c1 ZINC000866793134 662499150 /nfs/dbraw/zinc/49/91/50/662499150.db2.gz OIVGXBSTQYITTL-MQMHXKEQSA-N 1 0 375.332 2.694 20 0 GFADRO COc1ccc2nc(Cl)ccc2c1S(=O)(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000866793317 662499226 /nfs/dbraw/zinc/49/92/26/662499226.db2.gz GNIXIWJFFSQINN-HAQNSBGRSA-N 1 0 383.901 2.693 20 0 GFADRO CCOc1ccc(Br)cc1S(=O)(=O)N[C@@H](C)C1CC[NH2+]CC1 ZINC000866813737 662501371 /nfs/dbraw/zinc/50/13/71/662501371.db2.gz AUOKOZDULWSLEL-NSHDSACASA-N 1 0 391.331 2.514 20 0 GFADRO C[N@@H+]1CCC[C@H]2CN(S(=O)(=O)c3ccc4ccnc(Cl)c4c3)CC[C@H]21 ZINC000866972452 662513226 /nfs/dbraw/zinc/51/32/26/662513226.db2.gz RQMMHKIEXJWLQY-WMLDXEAASA-N 1 0 379.913 2.993 20 0 GFADRO C[N@@H+]1CC[C@@](O)(CNC(=O)c2cnc(-c3c(Cl)cccc3Cl)s2)C1 ZINC000867420049 662548888 /nfs/dbraw/zinc/54/88/88/662548888.db2.gz RYRLVFQQINQTMN-MRXNPFEDSA-N 1 0 386.304 2.913 20 0 GFADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)/C=C/c1ccsc1C(F)(F)F ZINC000867479735 662553003 /nfs/dbraw/zinc/55/30/03/662553003.db2.gz UHQXZHKDAPZCJS-ITDFMYJTSA-N 1 0 375.460 2.922 20 0 GFADRO C[NH+]1CCC2(CCN(S(=O)(=O)c3c(F)c(F)cc(F)c3F)CC2)CC1 ZINC000867618744 662563204 /nfs/dbraw/zinc/56/32/04/662563204.db2.gz JCUHTLWRBNNSOV-UHFFFAOYSA-N 1 0 380.407 2.740 20 0 GFADRO CCCCN(c1ccncc1)S(=O)(=O)Cc1cccc(S(C)(=O)=O)c1 ZINC000867628253 662563920 /nfs/dbraw/zinc/56/39/20/662563920.db2.gz UTHUJWGOTAGGQL-UHFFFAOYSA-N 1 0 382.507 2.622 20 0 GFADRO CCC1([NH+](C)C)CCN(S(=O)(=O)c2cc3c(cc2Cl)CCC3=O)CC1 ZINC000867632242 662564512 /nfs/dbraw/zinc/56/45/12/662564512.db2.gz SZPCTJNRQSXXAF-UHFFFAOYSA-N 1 0 384.929 2.964 20 0 GFADRO COC(=O)Nc1ccc(S(=O)(=O)N2CC[N@H+](C)C(C)(C)CC2)cc1Cl ZINC000867680733 662567001 /nfs/dbraw/zinc/56/70/01/662567001.db2.gz UAQVTHPRZZYYHB-UHFFFAOYSA-N 1 0 389.905 2.623 20 0 GFADRO CC(=O)N[C@@H](C(=O)N1CCC[C@@H]([NH+](C)C)CC1)c1cccc(Br)c1 ZINC000867812938 662579396 /nfs/dbraw/zinc/57/93/96/662579396.db2.gz OHBVRDVGQHOJQY-IAGOWNOFSA-N 1 0 396.329 2.569 20 0 GFADRO [NH3+][C@H](C(=O)NCCc1ccc2c(c1)OCCO2)c1cccc(Br)c1 ZINC000867946393 662588606 /nfs/dbraw/zinc/58/86/06/662588606.db2.gz GOTPCEVEDCCLNK-KRWDZBQOSA-N 1 0 391.265 2.579 20 0 GFADRO Cc1cc([C@H]([NH3+])CC(=O)NCc2ccc(Br)cn2)cc(Cl)n1 ZINC000867999504 662590821 /nfs/dbraw/zinc/59/08/21/662590821.db2.gz DEMBERHOVCLLRO-CYBMUJFWSA-N 1 0 383.677 2.907 20 0 GFADRO O=C(C[C@@H]1COCC[NH2+]1)Nc1ccc(Br)c(Br)c1 ZINC000868029994 662592061 /nfs/dbraw/zinc/59/20/61/662592061.db2.gz SUYCYOMYUWZPKL-SECBINFHSA-N 1 0 378.064 2.529 20 0 GFADRO O=C(Nc1cc(Br)ccc1-n1cccn1)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000868120567 662595103 /nfs/dbraw/zinc/59/51/03/662595103.db2.gz IXZMKKQDWCUDMT-ZFWWWQNUSA-N 1 0 390.285 2.993 20 0 GFADRO COc1cc(OC)c(NC(=O)N2CCC[C@@H]3[NH2+]CC[C@@H]32)cc1Br ZINC000868151812 662596545 /nfs/dbraw/zinc/59/65/45/662596545.db2.gz YTZMLCMNVFDUQI-AAEUAGOBSA-N 1 0 384.274 2.825 20 0 GFADRO [NH3+][C@H]1C[C@H](CNC(=O)Nc2ccnn2Cc2ccccc2Br)C1 ZINC000868151158 662596608 /nfs/dbraw/zinc/59/66/08/662596608.db2.gz QXZQCGCULWVKFA-AULYBMBSSA-N 1 0 378.274 2.553 20 0 GFADRO COC[C@@H](NC(=O)N[C@@H](CC[NH3+])C(F)(F)F)c1cccc(Br)c1 ZINC000868166971 662597392 /nfs/dbraw/zinc/59/73/92/662597392.db2.gz ODTUWZZANUTIEM-NEPJUHHUSA-N 1 0 398.223 2.716 20 0 GFADRO [NH3+]CC12CCC(CC1)N2C(=O)C(=O)Nc1cc(Cl)ccc1C(F)(F)F ZINC000868290420 662600896 /nfs/dbraw/zinc/60/08/96/662600896.db2.gz OHEDVVCPHPCLEB-UHFFFAOYSA-N 1 0 375.778 2.780 20 0 GFADRO O=C(c1ccc2ccc(Br)cc2c1)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000868342443 662602456 /nfs/dbraw/zinc/60/24/56/662602456.db2.gz BGSKPYHHQMTTCY-QZTJIDSGSA-N 1 0 389.293 2.883 20 0 GFADRO C[C@@H](CNC(=O)c1cc(Br)ncc1Br)C[NH+](C)C ZINC000868514186 662607652 /nfs/dbraw/zinc/60/76/52/662607652.db2.gz VJNUKDIARDZOKO-QMMMGPOBSA-N 1 0 379.096 2.534 20 0 GFADRO C[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3[C@@H]4Cc5ccc(Br)cc5[C@@H]43)C2)C1 ZINC000868534415 662608326 /nfs/dbraw/zinc/60/83/26/662608326.db2.gz DUPNCMIKKOOCJQ-NTDBWNAOSA-N 1 0 375.310 2.889 20 0 GFADRO C[NH+](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCC[C@@]1(C)CC1(Cl)Cl ZINC000868734140 662617032 /nfs/dbraw/zinc/61/70/32/662617032.db2.gz LKGGWILMZZLTQI-NHYWBVRUSA-N 1 0 382.332 2.532 20 0 GFADRO O=C(NC1CC[NH+](C2CCC2)CC1)c1cc(Br)cn2ccnc12 ZINC000868763772 662618242 /nfs/dbraw/zinc/61/82/42/662618242.db2.gz REPDKBDBYMTYPO-UHFFFAOYSA-N 1 0 377.286 2.844 20 0 GFADRO CC(=O)N[C@H](C(=O)N(C)[C@H]1CC[N@@H+](C(C)C)C1)c1cccc(Br)c1 ZINC000868809278 662620196 /nfs/dbraw/zinc/62/01/96/662620196.db2.gz IGSQSMHFUMGVTP-IRXDYDNUSA-N 1 0 396.329 2.567 20 0 GFADRO CN(CCn1cc(Br)cn1)C(=O)NC1CCC(C)([NH+](C)C)CC1 ZINC000869011006 662627134 /nfs/dbraw/zinc/62/71/34/662627134.db2.gz LMSLWJKZTUZKPC-UHFFFAOYSA-N 1 0 386.338 2.550 20 0 GFADRO CC1CC[NH+](CCCNC(=O)NCc2ncc(Br)s2)CC1 ZINC000869195015 662634453 /nfs/dbraw/zinc/63/44/53/662634453.db2.gz LSNAODBMFOSWEC-UHFFFAOYSA-N 1 0 375.336 2.827 20 0 GFADRO CC(=O)N[C@H](C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1)c1cccc(Br)c1 ZINC000869233730 662636676 /nfs/dbraw/zinc/63/66/76/662636676.db2.gz OYUBGKGJNODLNZ-CVEARBPZSA-N 1 0 396.329 2.615 20 0 GFADRO O=C(NC[C@H]1CCC[N@H+](CC2CC2)C1)c1cc(Br)cn2ccnc12 ZINC000869328801 662641972 /nfs/dbraw/zinc/64/19/72/662641972.db2.gz LSYNCKLGKKJMNH-CQSZACIVSA-N 1 0 391.313 2.949 20 0 GFADRO COCCN(CC1CC[NH+](C)CC1)C(=O)Cc1ccc(Br)cc1 ZINC000869770051 662660499 /nfs/dbraw/zinc/66/04/99/662660499.db2.gz JLSLCLBJOOXRKN-UHFFFAOYSA-N 1 0 383.330 2.808 20 0 GFADRO CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)CSc2cccc(Br)c2)C1 ZINC000869778444 662661340 /nfs/dbraw/zinc/66/13/40/662661340.db2.gz ALAGUJZDZYRECZ-ZDUSSCGKSA-N 1 0 387.343 2.503 20 0 GFADRO [NH3+][C@H](C(=O)N1CCN(c2ccccc2O)CC1)c1cccc(Br)c1 ZINC000870854933 662703631 /nfs/dbraw/zinc/70/36/31/662703631.db2.gz LWBRKEYHZLZDKB-KRWDZBQOSA-N 1 0 390.281 2.503 20 0 GFADRO CCC[N@H+](C)CC(=O)Nc1ccc(N2CC[C@H](CO)C2)c(Br)c1 ZINC000870890489 662706575 /nfs/dbraw/zinc/70/65/75/662706575.db2.gz UDNCHJUBSHILRF-ZDUSSCGKSA-N 1 0 384.318 2.548 20 0 GFADRO C[C@H]1C[C@@H](C(=O)N[C@](C)(CO)Cc2ccc(Br)cc2)CC[N@@H+]1C ZINC000870947954 662711097 /nfs/dbraw/zinc/71/10/97/662711097.db2.gz UYJGDNMOPUXBNS-YEWWUXTCSA-N 1 0 383.330 2.589 20 0 GFADRO Cn1cc(C(F)F)c(CNC(=O)[C@](C)([NH3+])c2ccc(Br)cc2)n1 ZINC000870978778 662712122 /nfs/dbraw/zinc/71/21/22/662712122.db2.gz BRKBPBXVOZCJTC-OAHLLOKOSA-N 1 0 387.228 2.611 20 0 GFADRO O=C(C[C@@H]1Sc2ccc(Cl)cc2NC1=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000870976427 662712199 /nfs/dbraw/zinc/71/21/99/662712199.db2.gz DHENOSKGMOFGQQ-GXCBOPRBSA-N 1 0 379.913 2.790 20 0 GFADRO O=C(NC[C@H]1Cc2ccccc2C[NH2+]1)c1nc(C2CC2)ncc1Br ZINC000871673568 662730753 /nfs/dbraw/zinc/73/07/53/662730753.db2.gz LHQDWCYTDCTWIR-CQSZACIVSA-N 1 0 387.281 2.561 20 0 GFADRO Cc1ccc(C(F)(F)F)cc1S(=O)(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000871813908 662735263 /nfs/dbraw/zinc/73/52/63/662735263.db2.gz LEYATYHSUHZZKL-GXSJLCMTSA-N 1 0 390.349 2.772 20 0 GFADRO C[C@@H]([NH2+][C@H](C)c1ccnn1C)C(=O)N(C)Cc1ccc(Br)cc1 ZINC000871926957 662742826 /nfs/dbraw/zinc/74/28/26/662742826.db2.gz LSRJGQYRFADJCI-CHWSQXEVSA-N 1 0 379.302 2.880 20 0 GFADRO C[C@@H]([NH2+][C@H](C)c1ccnn1C)C(=O)Nc1cccc(I)c1 ZINC000871927755 662742835 /nfs/dbraw/zinc/74/28/35/662742835.db2.gz QBMCUEBAINPHDR-GHMZBOCLSA-N 1 0 398.248 2.703 20 0 GFADRO CCO[C@H]1C[C@H](O)C12CC[NH+](C[C@@H](O)c1ccc(Br)cc1)CC2 ZINC000871978351 662748349 /nfs/dbraw/zinc/74/83/49/662748349.db2.gz ZQIDASHBXZQTRC-IKGGRYGDSA-N 1 0 384.314 2.734 20 0 GFADRO O=S1(=O)CC[C@H](C[NH2+][C@H](c2cccc(Br)c2)[C@@H]2CCOC2)C1 ZINC000872019597 662753877 /nfs/dbraw/zinc/75/38/77/662753877.db2.gz XEPYQAMXOGFLON-XNRPHZJLSA-N 1 0 388.327 2.551 20 0 GFADRO O[C@H](CN[C@H](c1cccc(Br)c1)[C@@H]1CCOC1)C[NH+]1CCCC1 ZINC000872027972 662754070 /nfs/dbraw/zinc/75/40/70/662754070.db2.gz OPQPZXYOFXTQEA-KBAYOESNSA-N 1 0 383.330 2.573 20 0 GFADRO Brc1cccc([C@H]([NH2+]CCN2C[C@H]3CC[C@@H](C2)O3)[C@@H]2CCOC2)c1 ZINC000872076921 662755386 /nfs/dbraw/zinc/75/53/86/662755386.db2.gz VLOYDIGKVQKUHZ-YSHGAJCASA-N 1 0 395.341 2.980 20 0 GFADRO CC[C@H]([NH2+]CCC[C@@H]1CCOC1=O)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000872114390 662756324 /nfs/dbraw/zinc/75/63/24/662756324.db2.gz WAAIOWGYZFKYTO-DOMZBBRYSA-N 1 0 388.917 2.632 20 0 GFADRO [NH3+]C[C@@H]1CN(Cc2cc3c(c(Br)c2)OCO3)C[C@@H]1C(F)(F)F ZINC000872148920 662756624 /nfs/dbraw/zinc/75/66/24/662756624.db2.gz LKXPQCRJBPGDHX-ZJUUUORDSA-N 1 0 381.192 2.747 20 0 GFADRO [NH3+]C[C@@H]1CN([C@H]2CCN(c3ccc(Cl)cc3F)C2=O)C[C@@H]1C(F)(F)F ZINC000872150539 662756869 /nfs/dbraw/zinc/75/68/69/662756869.db2.gz WWXJGKRSAZGAOD-PUYPPJJSSA-N 1 0 379.785 2.653 20 0 GFADRO [NH3+]C[C@@]1(c2nc(C3(c4cccc(Br)c4)CC3)no2)CCCOC1 ZINC000872181298 662757503 /nfs/dbraw/zinc/75/75/03/662757503.db2.gz GSVJDRUYXFMYHF-INIZCTEOSA-N 1 0 378.270 2.919 20 0 GFADRO Cn1nccc1[C@H]1C[C@H]([NH2+]C[C@@H](O)c2ccc(Br)cc2)CCO1 ZINC000872209784 662758092 /nfs/dbraw/zinc/75/80/92/662758092.db2.gz UWIAFZVHUPHRKX-DJIMGWMZSA-N 1 0 380.286 2.726 20 0 GFADRO O[C@@H](C[NH2+]C[C@H]1CC2(CO1)CCOCC2)COc1c(Cl)cccc1Cl ZINC000872232219 662758573 /nfs/dbraw/zinc/75/85/73/662758573.db2.gz XKHXRDFYIYBAKP-UONOGXRCSA-N 1 0 390.307 2.908 20 0 GFADRO COCC(C)(C)CC[NH2+]CCS(=O)(=O)c1cccc(Br)c1 ZINC000872242994 662759019 /nfs/dbraw/zinc/75/90/19/662759019.db2.gz HNNCVSHMXDEMFB-UHFFFAOYSA-N 1 0 378.332 2.875 20 0 GFADRO C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)[C@@H]1[C@@H]3Cc4ccc(Br)cc4[C@@H]31)C2 ZINC000872264523 662759322 /nfs/dbraw/zinc/75/93/22/662759322.db2.gz VAVVZFOQRQNGBB-DARIXABFSA-N 1 0 375.310 2.793 20 0 GFADRO CN(CC1=CCSC1)CN1C(=O)C[C@@]2(CCc3cc(Cl)ccc32)C1=O ZINC000872623829 662781111 /nfs/dbraw/zinc/78/11/11/662781111.db2.gz XNMPUKUDBYPUKP-LJQANCHMSA-N 1 0 376.909 2.845 20 0 GFADRO CCC1([NH+](C)C)CCN(Cn2nc(Br)c(=O)c3ccccc32)CC1 ZINC000872670565 662784500 /nfs/dbraw/zinc/78/45/00/662784500.db2.gz FHJWHIOQZBALKU-UHFFFAOYSA-N 1 0 393.329 2.923 20 0 GFADRO C[N@@H+]1CCC[C@H]2[C@H]1CCN2c1ncc(Cn2cc(Br)cn2)s1 ZINC000872779616 662788575 /nfs/dbraw/zinc/78/85/75/662788575.db2.gz HHNIQSAFAVNCKD-KGLIPLIRSA-N 1 0 382.331 2.823 20 0 GFADRO C[NH+](C)CCCOc1cnccc1CNC(=O)NCc1ncc(Cl)s1 ZINC000873014686 662796472 /nfs/dbraw/zinc/79/64/72/662796472.db2.gz CRQYGTBFIMKYOG-UHFFFAOYSA-N 1 0 383.905 2.521 20 0 GFADRO Fc1cccc(C[NH2+]CCCOC[C@H]2CCOC2)c1I ZINC000873059500 662797904 /nfs/dbraw/zinc/79/79/04/662797904.db2.gz SHPZCKMNMBFOAR-GFCCVEGCSA-N 1 0 393.240 2.963 20 0 GFADRO CSc1ccc(Cl)cc1NC(=O)C(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000873102760 662799753 /nfs/dbraw/zinc/79/97/53/662799753.db2.gz AAAJURPFHUSOHG-WPRPVWTQSA-N 1 0 395.834 2.596 20 0 GFADRO CSc1ccc(Cl)cc1NC(=O)C(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000873102758 662799756 /nfs/dbraw/zinc/79/97/56/662799756.db2.gz AAAJURPFHUSOHG-SCZZXKLOSA-N 1 0 395.834 2.596 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)C[C@@H]1C(F)(F)F ZINC000873103837 662799789 /nfs/dbraw/zinc/79/97/89/662799789.db2.gz HUQHYDZEDRXRKV-HQJQHLMTSA-N 1 0 384.185 2.528 20 0 GFADRO Cc1sc(C[NH2+][C@@H]2CCN(c3ccc4nncn4n3)C2)cc1Br ZINC000873141720 662801662 /nfs/dbraw/zinc/80/16/62/662801662.db2.gz JIPIVUYUORWFNG-LLVKDONJSA-N 1 0 393.314 2.625 20 0 GFADRO [NH3+]C[C@@H]1CN(Cc2nc3ccccn3c2Br)C[C@@H]1C(F)(F)F ZINC000873228541 662804272 /nfs/dbraw/zinc/80/42/72/662804272.db2.gz SYDYANYTHACCFJ-ZJUUUORDSA-N 1 0 377.208 2.666 20 0 GFADRO [NH3+]C[C@H]1CN(Cc2cn(-c3ccc(F)c(Cl)c3)nn2)C[C@H]1C(F)(F)F ZINC000873228935 662804300 /nfs/dbraw/zinc/80/43/00/662804300.db2.gz WNEQDJSUTSPOMJ-JOYOIKCWSA-N 1 0 377.773 2.629 20 0 GFADRO COC(=O)c1cc(NC(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)ccc1Cl ZINC000873303591 662805000 /nfs/dbraw/zinc/80/50/00/662805000.db2.gz RWAJLAIOYGTICI-LDYMZIIASA-N 1 0 379.766 2.728 20 0 GFADRO COC(=O)c1cccc(NC(=O)N[C@@]23CCC[C@@H]2[NH2+]CC3)c1Br ZINC000873324879 662805472 /nfs/dbraw/zinc/80/54/72/662805472.db2.gz UQHJYFHZYSQQEB-BLLLJJGKSA-N 1 0 382.258 2.642 20 0 GFADRO COC(=O)c1cc(NC(=O)N[C@@]23CCC[C@H]2[NH2+]CC3)c(C)cc1Br ZINC000873325499 662805555 /nfs/dbraw/zinc/80/55/55/662805555.db2.gz UKQHXWPVXMOZSY-RHSMWYFYSA-N 1 0 396.285 2.950 20 0 GFADRO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)c1cnn(-c2cccc(Br)c2)c1 ZINC000874840605 662838140 /nfs/dbraw/zinc/83/81/40/662838140.db2.gz PPYABERKOWMEFP-IRXDYDNUSA-N 1 0 389.297 2.944 20 0 GFADRO Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)Nc2ccc(F)cc2Br)cn1 ZINC000875179017 662843001 /nfs/dbraw/zinc/84/30/01/662843001.db2.gz YXUVNBFCGZTYQJ-UONOGXRCSA-N 1 0 395.276 2.996 20 0 GFADRO Cc1cc(Br)cnc1NC(=O)[C@@H]1CC[N@@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000875464784 662846455 /nfs/dbraw/zinc/84/64/55/662846455.db2.gz GVAHTHXHZQCGOJ-HUUCEWRRSA-N 1 0 392.301 2.560 20 0 GFADRO COCCN(CC1CC[NH+](C)CC1)C(=O)NCCC[C@H]1CC1(Cl)Cl ZINC000875701518 662850471 /nfs/dbraw/zinc/85/04/71/662850471.db2.gz IPLWHYQQPVXKCQ-HNNXBMFYSA-N 1 0 380.360 2.960 20 0 GFADRO Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)OCc2ccc(Br)cc2)cn1 ZINC000875753363 662851214 /nfs/dbraw/zinc/85/12/14/662851214.db2.gz VNIINXWEZRRTPY-DLBZAZTESA-N 1 0 392.297 2.961 20 0 GFADRO CCn1ncc(CNC(=O)N[C@@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)n1 ZINC000875770672 662851517 /nfs/dbraw/zinc/85/15/17/662851517.db2.gz QKBAQUIRDLFYGE-HNNXBMFYSA-N 1 0 385.299 2.707 20 0 GFADRO [NH3+]CCCOC1CCN(C(=O)c2nc(Br)sc2Cl)CC1 ZINC000876542270 662862597 /nfs/dbraw/zinc/86/25/97/662862597.db2.gz MUIOAPXJLKDMOZ-UHFFFAOYSA-N 1 0 382.711 2.529 20 0 GFADRO Cc1cc(NC(=O)[C@@H](F)[C@H]2CC[NH2+]C2)n(-c2cccc(Br)c2)n1 ZINC000876600444 662863300 /nfs/dbraw/zinc/86/33/00/662863300.db2.gz RGHSSJRMFJGIKC-NHYWBVRUSA-N 1 0 381.249 2.829 20 0 GFADRO CNC(=O)c1cc(NC(=O)c2csc(C3CC[NH2+]CC3)n2)ccc1Cl ZINC000876607298 662863404 /nfs/dbraw/zinc/86/34/04/662863404.db2.gz RZCUJQMEEPHNBP-UHFFFAOYSA-N 1 0 378.885 2.875 20 0 GFADRO O=C(N1CCO[C@@H](c2cccc(Br)c2)C1)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000876628700 662863785 /nfs/dbraw/zinc/86/37/85/662863785.db2.gz SMDQPTZCMWEQHQ-NUJGCVRESA-N 1 0 379.298 2.881 20 0 GFADRO O=C(NCC1(c2ccc(Br)cc2)CCOCC1)[C@H](F)[C@@H]1CC[NH2+]C1 ZINC000876641658 662864046 /nfs/dbraw/zinc/86/40/46/662864046.db2.gz LZCQKKDLDYMOKV-CZUORRHYSA-N 1 0 399.304 2.561 20 0 GFADRO Cn1ncc(C[NH3+])c1C(=O)NCCOc1c(Cl)cc(Cl)cc1Cl ZINC000876694735 662864817 /nfs/dbraw/zinc/86/48/17/662864817.db2.gz NIQSNJDHFQEPLA-UHFFFAOYSA-N 1 0 377.659 2.648 20 0 GFADRO O=C(CC[NH2+]CC1CC1)NC[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000876732761 662865521 /nfs/dbraw/zinc/86/55/21/662865521.db2.gz FMFWMRDENHWZAG-OAHLLOKOSA-N 1 0 380.330 2.781 20 0 GFADRO COc1ncc(Br)cc1CNc1cc(C(N)=O)ccc1C[NH+](C)C ZINC000876865183 662867543 /nfs/dbraw/zinc/86/75/43/662867543.db2.gz VCNSAPXANQEBRL-UHFFFAOYSA-N 1 0 393.285 2.625 20 0 GFADRO O=C(/C=C\[C@@H]1CCC[NH2+]C1)N1CCOC[C@H]1c1ccc(Br)cc1 ZINC000876967723 662868861 /nfs/dbraw/zinc/86/88/61/662868861.db2.gz LTELDQRWBVUUHD-UUGUWNRWSA-N 1 0 379.298 2.905 20 0 GFADRO CCS(=O)(=O)CC[NH2+][C@H]1CCN(C)[C@@H](c2ccc(Br)cc2)C1 ZINC000877005602 662869484 /nfs/dbraw/zinc/86/94/84/662869484.db2.gz IWWLTYHQFPZILK-JKSUJKDBSA-N 1 0 389.359 2.609 20 0 GFADRO C[C@@H](C[NH2+]Cc1cccc(S(N)(=O)=O)c1)Oc1ccc(Br)cc1 ZINC000877067142 662870594 /nfs/dbraw/zinc/87/05/94/662870594.db2.gz YVBIEMDFAFFPJU-LBPRGKRZSA-N 1 0 399.310 2.654 20 0 GFADRO CN1C(=O)N[C@@]2(CCC[C@@H]2C[NH2+]Cc2cc3nc(Cl)ccc3s2)C1=O ZINC000877075369 662870709 /nfs/dbraw/zinc/87/07/09/662870709.db2.gz AMUSBVYPXKPYSF-BMLIUANNSA-N 1 0 378.885 2.760 20 0 GFADRO C[C@@H](Cc1ccc(F)c(Br)c1)[NH2+]CC1CCS(=O)(=O)CC1 ZINC000877109541 662871213 /nfs/dbraw/zinc/87/12/13/662871213.db2.gz ACYIUPVOOFJURV-NSHDSACASA-N 1 0 378.307 2.934 20 0 GFADRO CCO[P@@](C)(=O)CC[C@H](C)[NH2+]CCNS(=O)(=O)c1cc(C)sc1C ZINC000877117011 662871315 /nfs/dbraw/zinc/87/13/15/662871315.db2.gz GHCIJYQREVEHIH-AMXDTQDGSA-N 1 0 396.515 2.956 20 0 GFADRO COC[C@@H](NC(=O)[C@@H]([NH3+])c1cccc(OC)c1)c1cccc(Br)c1 ZINC000877263788 662872769 /nfs/dbraw/zinc/87/27/69/662872769.db2.gz YJYGIRMEDTUTGV-SJORKVTESA-N 1 0 393.281 2.961 20 0 GFADRO COCC[C@H](Cc1cccc(Br)c1)C(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000877277336 662872905 /nfs/dbraw/zinc/87/29/05/662872905.db2.gz GYJMHCAFYWKQLV-BPQIPLTHSA-N 1 0 395.341 2.997 20 0 GFADRO O=C(CNC(=O)c1sc2ccccc2c1Cl)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000877277367 662872983 /nfs/dbraw/zinc/87/29/83/662872983.db2.gz MBPUUCCAEHCPQU-OLZOCXBDSA-N 1 0 377.897 2.637 20 0 GFADRO O=C(c1ccn(-c2cccc(Br)c2)n1)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000877280273 662873069 /nfs/dbraw/zinc/87/30/69/662873069.db2.gz UZDXXGSXONHIDJ-GDBMZVCRSA-N 1 0 375.270 2.601 20 0 GFADRO O=C(CCNc1ncc(C(F)(F)F)cc1Cl)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000877283145 662873140 /nfs/dbraw/zinc/87/31/40/662873140.db2.gz OJOUXJGNXNFPJS-STQMWFEESA-N 1 0 376.810 2.909 20 0 GFADRO O=C(c1cnn(-c2ccc(Br)cc2)c1)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000877282572 662873149 /nfs/dbraw/zinc/87/31/49/662873149.db2.gz RNSFIXMZADHYID-HOTGVXAUSA-N 1 0 375.270 2.601 20 0 GFADRO O=C(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)c1c(Cl)nc2cc(Cl)ccn21 ZINC000877328675 662873603 /nfs/dbraw/zinc/87/36/03/662873603.db2.gz LRWVQLDYCRBCIH-LBPRGKRZSA-N 1 0 383.279 2.530 20 0 GFADRO CN1CC[NH+](CC2(C)CCN(Cc3cccnc3Br)CC2)CC1 ZINC000877334763 662873857 /nfs/dbraw/zinc/87/38/57/662873857.db2.gz RPEGFFGEHRHPEP-UHFFFAOYSA-N 1 0 381.362 2.694 20 0 GFADRO COc1cc(C(=O)N2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)ccc1Br ZINC000877354201 662874103 /nfs/dbraw/zinc/87/41/03/662874103.db2.gz CNFRBAFBVIFQSI-VHSXEESVSA-N 1 0 381.192 2.667 20 0 GFADRO Cc1c(Br)cccc1CC(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000877355731 662874180 /nfs/dbraw/zinc/87/41/80/662874180.db2.gz BKCVXOOTAZJDKC-NWDGAFQWSA-N 1 0 379.220 2.896 20 0 GFADRO Cc1c(Br)cccc1CC(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000877355730 662874198 /nfs/dbraw/zinc/87/41/98/662874198.db2.gz BKCVXOOTAZJDKC-NEPJUHHUSA-N 1 0 379.220 2.896 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)CCOc2ccccc2Br)C[C@H]1C(F)(F)F ZINC000877364928 662874731 /nfs/dbraw/zinc/87/47/31/662874731.db2.gz CCAUXJOHGWYPNW-GHMZBOCLSA-N 1 0 395.219 2.814 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)c2cc(Cl)c3c(c2)OCCCO3)C[C@@H]1C(F)(F)F ZINC000877369014 662874924 /nfs/dbraw/zinc/87/49/24/662874924.db2.gz KYSPWBDUOFNXBF-MNOVXSKESA-N 1 0 378.778 2.711 20 0 GFADRO Cc1cc(C(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)nn1-c1ccc(Br)cc1 ZINC000877375278 662875094 /nfs/dbraw/zinc/87/50/94/662875094.db2.gz QFMKJQDYGJZTPF-SCLBCKFNSA-N 1 0 389.297 2.625 20 0 GFADRO [NH3+][C@H](C(=O)N1CCO[C@H](C(F)(F)F)CC1)c1cccc(Br)c1 ZINC000877383211 662875117 /nfs/dbraw/zinc/87/51/17/662875117.db2.gz XBRUPHGUJQUJBV-RYUDHWBXSA-N 1 0 381.192 2.629 20 0 GFADRO O=C(CCC[S@](=O)c1ccc(Br)cc1)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000877391693 662875292 /nfs/dbraw/zinc/87/52/92/662875292.db2.gz KJLSRBCOJKXZPC-YAEBDLLGSA-N 1 0 399.354 2.738 20 0 GFADRO O=C(N[C@@]12CCC[C@@H]1[NH2+]CC2)c1nn(-c2ccc(F)cc2)cc1Br ZINC000877393806 662875395 /nfs/dbraw/zinc/87/53/95/662875395.db2.gz OWDLFAMTOLGWQB-WMLDXEAASA-N 1 0 393.260 2.788 20 0 GFADRO COc1ccc(Br)cc1C(=O)CCC(=O)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000877400500 662875535 /nfs/dbraw/zinc/87/55/35/662875535.db2.gz VRNFQYWEZFNXLW-FUHWJXTLSA-N 1 0 395.297 2.821 20 0 GFADRO CN(CCCCCC[NH3+])C(=O)c1cc(=O)c2cc(Br)ccc2[nH]1 ZINC000877440363 662876081 /nfs/dbraw/zinc/87/60/81/662876081.db2.gz VJDMFBFCIHWKAY-UHFFFAOYSA-N 1 0 380.286 2.882 20 0 GFADRO COC(=O)c1ccc(CNCCC[N@@H+]2CCCO[C@@H](C)C2)cc1Br ZINC000877477829 662876785 /nfs/dbraw/zinc/87/67/85/662876785.db2.gz IAZJFRZHIPRYLP-AWEZNQCLSA-N 1 0 399.329 2.826 20 0 GFADRO Cc1ccnc(CN(C)[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)c1Br ZINC000877527315 662878036 /nfs/dbraw/zinc/87/80/36/662878036.db2.gz YNWLNUIQCVSNFI-MRXNPFEDSA-N 1 0 381.362 2.753 20 0 GFADRO COC(=O)c1ccc(C[NH2+][C@@H](C)C2(OC)CCOCC2)cc1Br ZINC000877598526 662879621 /nfs/dbraw/zinc/87/96/21/662879621.db2.gz OKLPVYNEBPJPAL-LBPRGKRZSA-N 1 0 386.286 2.909 20 0 GFADRO COC(=O)c1ccc(C[NH2+][C@H]2CCN(C(C)(C)C)C2=O)cc1Br ZINC000877603389 662879738 /nfs/dbraw/zinc/87/97/38/662879738.db2.gz LYHSHAQGTLEEHA-AWEZNQCLSA-N 1 0 383.286 2.725 20 0 GFADRO CC(C)[C@@H]([NH2+]Cc1ccc(S(N)(=O)=O)s1)[C@H](O)c1ccc(Cl)cc1 ZINC000877639161 662880487 /nfs/dbraw/zinc/88/04/87/662880487.db2.gz CIBXGZKMBNIPNU-HZPDHXFCSA-N 1 0 388.942 2.897 20 0 GFADRO CC(C)[C@@H](CO)[N@@H+](Cc1ccccc1)C[C@H](O)c1cc(Br)no1 ZINC000878169397 662891069 /nfs/dbraw/zinc/89/10/69/662891069.db2.gz MCLVMUVPLQNIDP-CABCVRRESA-N 1 0 383.286 2.990 20 0 GFADRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)Cc2c(Br)cnn2C)C1 ZINC000878248065 662892353 /nfs/dbraw/zinc/89/23/53/662892353.db2.gz PCDKJLQPPQHLGE-ZIAGYGMSSA-N 1 0 385.350 2.599 20 0 GFADRO OCCCC[NH+]1CCN(Cc2noc(-c3cccc(Cl)c3Cl)n2)CC1 ZINC000878260495 662892729 /nfs/dbraw/zinc/89/27/29/662892729.db2.gz WTLJIIOCTXGESL-UHFFFAOYSA-N 1 0 385.295 2.934 20 0 GFADRO C[C@@H]1CN(C[C@@H](O)c2ccc(Cl)c(Cl)c2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000878324878 662893897 /nfs/dbraw/zinc/89/38/97/662893897.db2.gz PMJHKYMZDBSTFR-MDASCCDHSA-N 1 0 386.367 2.985 20 0 GFADRO CC1CC[NH+](C[C@H]2CCCN(C(=O)Cc3c(Br)cnn3C)C2)CC1 ZINC000878561019 662898887 /nfs/dbraw/zinc/89/88/87/662898887.db2.gz IGXUFGPHTBNPPG-OAHLLOKOSA-N 1 0 397.361 2.696 20 0 GFADRO C[C@](CO)([NH2+]C[C@H](O)C[C@H](O)c1ccccc1)c1ccc(Br)cc1 ZINC000878602641 662899958 /nfs/dbraw/zinc/89/99/58/662899958.db2.gz BDZWHUHSZZMVRL-CEXWTWQISA-N 1 0 394.309 2.731 20 0 GFADRO OC[C@H]([NH2+]C[C@H](O)C[C@@H](O)c1ccccc1)c1ccc(Br)c(F)c1 ZINC000878645096 662901457 /nfs/dbraw/zinc/90/14/57/662901457.db2.gz HWDHJMBPEGAIFG-FHLIZLRMSA-N 1 0 398.272 2.696 20 0 GFADRO O[C@H](C[NH2+]C1(Cc2cccc(F)c2)CCOCC1)c1cc(Br)no1 ZINC000878651607 662901887 /nfs/dbraw/zinc/90/18/87/662901887.db2.gz FKSNXUCPNDJYQZ-CQSZACIVSA-N 1 0 399.260 2.991 20 0 GFADRO Cn1nc(C(F)(F)F)c(C[NH2+][C@H]([C@@H]2CCCO2)C2(CO)CCC2)c1Cl ZINC000878869752 662907831 /nfs/dbraw/zinc/90/78/31/662907831.db2.gz MTXOPVREROVSPO-WCQYABFASA-N 1 0 381.826 2.892 20 0 GFADRO C[C@@H](CNC(=O)c1ccc(OC(F)F)c(Cl)c1)C[NH+]1CCN(C)CC1 ZINC000879005251 662912814 /nfs/dbraw/zinc/91/28/14/662912814.db2.gz UMPRKZPYQWTSLL-LBPRGKRZSA-N 1 0 375.847 2.555 20 0 GFADRO NC(=O)c1ccc(CC[N@@H+]2CC[C@@H](O)[C@H]2c2ccc(Br)cc2)cc1 ZINC000879061933 662915175 /nfs/dbraw/zinc/91/51/75/662915175.db2.gz HFIAQSMQWJHFQJ-QZTJIDSGSA-N 1 0 389.293 2.898 20 0 GFADRO CN(C[C@H](O)C[N@H+](C)Cc1ccc(Br)cn1)C(=O)OC(C)(C)C ZINC000879081434 662915751 /nfs/dbraw/zinc/91/57/51/662915751.db2.gz YORPDGUEVCGTLA-CQSZACIVSA-N 1 0 388.306 2.504 20 0 GFADRO CCOP(=O)(OCC)[C@H](O)C[NH2+][C@@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000879097392 662916320 /nfs/dbraw/zinc/91/63/20/662916320.db2.gz VEXSVEHKHJXSOZ-PMPSAXMXSA-N 1 0 379.340 2.969 20 0 GFADRO O=C(C[N@@H+]1CC[C@H]2CSC[C@@H]2C1)Nc1cc(Cl)ccc1-n1cncn1 ZINC000879560020 662929409 /nfs/dbraw/zinc/92/94/09/662929409.db2.gz DLMRYMLZMOWGGV-STQMWFEESA-N 1 0 377.901 2.544 20 0 GFADRO COC[C@H]([NH2+]CC[C@@H]1CCS(=O)(=O)C1)c1cccc(Br)c1 ZINC000879662834 662935063 /nfs/dbraw/zinc/93/50/63/662935063.db2.gz MTSQZPLDSXWLDV-DOMZBBRYSA-N 1 0 376.316 2.551 20 0 GFADRO Cc1ccccc1[C@H]([C@H](C)NC(=O)Cc1c(Br)cnn1C)[NH+](C)C ZINC000879901387 662941862 /nfs/dbraw/zinc/94/18/62/662941862.db2.gz OMJUHOUIGQNOOY-UGSOOPFHSA-N 1 0 393.329 2.841 20 0 GFADRO C[C@@H](CNC(=O)Nc1cn(C)nc1Br)[N@@H+]1CCc2ccccc2C1 ZINC000880040993 662946530 /nfs/dbraw/zinc/94/65/30/662946530.db2.gz MFMRMWOJQWRHGD-LBPRGKRZSA-N 1 0 392.301 2.751 20 0 GFADRO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)Nc1cn(C)nc1Br ZINC000880050843 662947618 /nfs/dbraw/zinc/94/76/18/662947618.db2.gz FWDFZBQYQBZIOB-GFCCVEGCSA-N 1 0 380.290 2.825 20 0 GFADRO OC[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1noc(-c2cccc(Cl)c2Cl)n1 ZINC000880074009 662950282 /nfs/dbraw/zinc/95/02/82/662950282.db2.gz RFSANEUDLRFPHS-NWDGAFQWSA-N 1 0 383.279 2.684 20 0 GFADRO COc1ncc(Br)cc1CN1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000880201624 662954318 /nfs/dbraw/zinc/95/43/18/662954318.db2.gz PWHWCCQNMYJNBU-MRXNPFEDSA-N 1 0 384.318 2.586 20 0 GFADRO Cn1nc(C(F)(F)F)c(CN2CCC[C@H]([NH2+]C3CCOCC3)C2)c1Cl ZINC000880203644 662954593 /nfs/dbraw/zinc/95/45/93/662954593.db2.gz LLFCTUUDZIQBOZ-LBPRGKRZSA-N 1 0 380.842 2.825 20 0 GFADRO O[C@H]1C[C@]([NH2+]C[C@H]2CC3(CO2)CCOCC3)(c2ccc(Br)cc2)C1 ZINC000880222458 662955458 /nfs/dbraw/zinc/95/54/58/662955458.db2.gz SNJHFJGHAGKKHT-LMMKCTJWSA-N 1 0 396.325 2.974 20 0 GFADRO NC(=O)c1ccc(NC(=O)CC[N@@H+]2CC[C@H](c3nccs3)C2)cc1Cl ZINC000880319143 662957800 /nfs/dbraw/zinc/95/78/00/662957800.db2.gz BIBXBHJOLCKCFF-NSHDSACASA-N 1 0 378.885 2.714 20 0 GFADRO O[C@@H]1C[N@H+](Cc2nc3ccc(Br)cc3o2)CC2(CCOCC2)C1 ZINC000880585817 662963280 /nfs/dbraw/zinc/96/32/80/662963280.db2.gz VCDCDOBOENNZML-ZDUSSCGKSA-N 1 0 381.270 2.954 20 0 GFADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)c1sc2cccc(F)c2c1Cl ZINC000880832219 662975533 /nfs/dbraw/zinc/97/55/33/662975533.db2.gz BWLVJUGUDFHHHK-NSHDSACASA-N 1 0 383.876 2.763 20 0 GFADRO O=C(NCCCC[N@H+]1CCC[C@H]1CO)Nc1cccc(F)c1Br ZINC000881141549 662983338 /nfs/dbraw/zinc/98/33/38/662983338.db2.gz WZOIOFUMCYDYKW-LBPRGKRZSA-N 1 0 388.281 2.947 20 0 GFADRO COC(=O)c1ccc(Br)cc1Cn1cc([C@H]([NH3+])C(C)(C)C)nn1 ZINC000881339800 662990350 /nfs/dbraw/zinc/99/03/50/662990350.db2.gz NGOGNCXVXREMCV-AWEZNQCLSA-N 1 0 381.274 2.921 20 0 GFADRO O[C@H](Cn1cc(CC[NH+]2CCCCC2)nn1)c1ccccc1Br ZINC000881420229 662993515 /nfs/dbraw/zinc/99/35/15/662993515.db2.gz WBTMGHYJXONQHH-QGZVFWFLSA-N 1 0 379.302 2.803 20 0 GFADRO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N[C@H](C)c1ccncc1Br ZINC000881461945 662994928 /nfs/dbraw/zinc/99/49/28/662994928.db2.gz OAYIZDIEKNOHRQ-WBMJQRKESA-N 1 0 384.318 2.815 20 0 GFADRO COc1ccc(Br)c(C(=O)N2CCC[C@@H]([NH2+]C3CCOCC3)C2)c1 ZINC000881468932 662995232 /nfs/dbraw/zinc/99/52/32/662995232.db2.gz ISFWFSFMWQAHAD-CQSZACIVSA-N 1 0 397.313 2.831 20 0 GFADRO O=C(COc1ccccc1Br)N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000881475623 662995346 /nfs/dbraw/zinc/99/53/46/662995346.db2.gz YOZKSTHCYDUGRR-OAHLLOKOSA-N 1 0 397.313 2.588 20 0 GFADRO O=S(=O)(NC[C@H]1CC[N@@H+](C2CC2)C1)c1cnc(Cl)cc1C(F)(F)F ZINC000881784924 663003047 /nfs/dbraw/zinc/00/30/47/663003047.db2.gz RFADZQFBXVOENF-SECBINFHSA-N 1 0 383.823 2.516 20 0 GFADRO CC(C)[N@H+](C)CC1CCN(S(=O)(=O)N=[S@](C)(=O)C2CCCCC2)CC1 ZINC000881857166 663006387 /nfs/dbraw/zinc/00/63/87/663006387.db2.gz SLFAPARTUNVENW-XMMPIXPASA-N 1 0 393.619 2.714 20 0 GFADRO FC(F)(F)c1ncnc(NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c1Br ZINC000881868405 663007068 /nfs/dbraw/zinc/00/70/68/663007068.db2.gz CXJSOAUJZFFROE-RKDXNWHRSA-N 1 0 381.196 2.533 20 0 GFADRO FC(F)(F)c1ncnc(NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)c1Br ZINC000881868403 663007125 /nfs/dbraw/zinc/00/71/25/663007125.db2.gz CXJSOAUJZFFROE-DTWKUNHWSA-N 1 0 381.196 2.533 20 0 GFADRO O=S(=O)(c1cnc(Cl)cc1C(F)(F)F)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000881927563 663010001 /nfs/dbraw/zinc/01/00/01/663010001.db2.gz TZCVXPQFGDKKTL-NSHDSACASA-N 1 0 397.850 2.860 20 0 GFADRO C[C@H]1C[C@H](N(C)S(=O)(=O)c2cnc(Cl)cc2C(F)(F)F)CC[N@@H+]1C ZINC000881931679 663010219 /nfs/dbraw/zinc/01/02/19/663010219.db2.gz AWZZFJHUNWQRGA-VHSXEESVSA-N 1 0 385.839 2.857 20 0 GFADRO CC[NH+](CC)CC1CCN(S(=O)(=O)N=[S@@](C)(=O)C2CCCCC2)CC1 ZINC000881932975 663010314 /nfs/dbraw/zinc/01/03/14/663010314.db2.gz ZDEDGIOONLPRCU-DEOSSOPVSA-N 1 0 393.619 2.716 20 0 GFADRO C[C@@H](C[NH+](C)C)[C@@H]1CCCCN1S(=O)(=O)c1cncc(Br)c1 ZINC000882431019 663027528 /nfs/dbraw/zinc/02/75/28/663027528.db2.gz HSSZLFPXYRSMIE-WFASDCNBSA-N 1 0 390.347 2.585 20 0 GFADRO COC[C@H]([NH2+]CCCNC(=O)c1cccc(Br)c1)[C@@H]1CCCOC1 ZINC000883184243 663051041 /nfs/dbraw/zinc/05/10/41/663051041.db2.gz RYPAFHGRYKHGIC-WBVHZDCISA-N 1 0 399.329 2.600 20 0 GFADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]CC(C)(C)CC(F)F ZINC000883252533 663051959 /nfs/dbraw/zinc/05/19/59/663051959.db2.gz MLJWVVHHOUOLAD-LLVKDONJSA-N 1 0 383.892 2.976 20 0 GFADRO C[C@@H]([NH2+]CC1(S(=O)(=O)NC(C)(C)C)CC1)c1ccc(Br)nc1 ZINC000883301357 663053097 /nfs/dbraw/zinc/05/30/97/663053097.db2.gz XWRFCCFASXBDKW-LLVKDONJSA-N 1 0 390.347 2.745 20 0 GFADRO C[C@]1(C[NH2+]Cc2ccc(Cl)c(S(N)(=O)=O)c2)OCCc2ccccc21 ZINC000883339722 663053741 /nfs/dbraw/zinc/05/37/41/663053741.db2.gz ZOGUYYXFKROVGW-GOSISDBHSA-N 1 0 380.897 2.565 20 0 GFADRO C[NH2+]C1CCN(S(=O)(=O)c2cc(Cl)c(Br)cc2C)CC1 ZINC000883466279 663055559 /nfs/dbraw/zinc/05/55/59/663055559.db2.gz JIFMOABTLVFNOE-UHFFFAOYSA-N 1 0 381.723 2.783 20 0 GFADRO CCC1([NH3+])CCN(C(=O)C(=O)Nc2cccc(Cl)c2Br)CC1 ZINC000883627236 663058286 /nfs/dbraw/zinc/05/82/86/663058286.db2.gz VNVMHJREWMXDST-UHFFFAOYSA-N 1 0 388.693 2.771 20 0 GFADRO CN(Cc1ccc2c(c1)OCCO2)C(=O)[C@H]([NH3+])c1ccc(Br)cc1 ZINC000884055079 663064277 /nfs/dbraw/zinc/06/42/77/663064277.db2.gz BAOOTNDQJJJZPO-QGZVFWFLSA-N 1 0 391.265 2.879 20 0 GFADRO CC(=O)NCc1ccc(-c2nc(NC(=O)[C@@H]([NH3+])CC3CC3)sc2C)s1 ZINC000884089443 663064830 /nfs/dbraw/zinc/06/48/30/663064830.db2.gz PPNAOKKITZDBIM-ZDUSSCGKSA-N 1 0 378.523 2.882 20 0 GFADRO CC(C)CC(=O)N1CCC(NC(=O)[C@H]([NH3+])c2ccc(Br)cc2)CC1 ZINC000884107593 663065347 /nfs/dbraw/zinc/06/53/47/663065347.db2.gz AIUDVWCJIMCSRM-QGZVFWFLSA-N 1 0 396.329 2.602 20 0 GFADRO C[C@@H](NC(=O)[C@@H]1C[NH2+]CC1(C)C)c1nc(-c2ccc(Br)cc2)no1 ZINC000884173718 663066373 /nfs/dbraw/zinc/06/63/73/663066373.db2.gz CJQFWOJPQFGNJF-MFKMUULPSA-N 1 0 393.285 2.922 20 0 GFADRO Cc1cnc(N2CCN(C(=O)[C@@H]([NH3+])c3ccc(Br)cc3)CC2)s1 ZINC000884224646 663067286 /nfs/dbraw/zinc/06/72/86/663067286.db2.gz VAXVEFQVKUAAFO-AWEZNQCLSA-N 1 0 395.326 2.563 20 0 GFADRO [NH3+][C@@H](CC1CC1)C(=O)NC1CCN(Cc2ccc(Br)cc2)CC1 ZINC000884232271 663067404 /nfs/dbraw/zinc/06/74/04/663067404.db2.gz MQYLDLJUJJNIBL-KRWDZBQOSA-N 1 0 380.330 2.657 20 0 GFADRO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)c1ccc(OC(F)F)c(Br)c1 ZINC000884283040 663068081 /nfs/dbraw/zinc/06/80/81/663068081.db2.gz XKCHDIZZEHJSMQ-UWVGGRQHSA-N 1 0 381.192 2.823 20 0 GFADRO CC(C)(Cc1ccc(Br)cc1)C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000884285717 663068154 /nfs/dbraw/zinc/06/81/54/663068154.db2.gz POWMTTVSYSKWFM-QGZVFWFLSA-N 1 0 394.357 2.524 20 0 GFADRO Cc1nc(CC(F)(F)F)sc1CC(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000884290825 663068242 /nfs/dbraw/zinc/06/82/42/663068242.db2.gz JZJLHBWVELWHPZ-CYBMUJFWSA-N 1 0 375.460 2.947 20 0 GFADRO Cc1ccc(F)c(Br)c1C(=O)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000884338990 663069292 /nfs/dbraw/zinc/06/92/92/663069292.db2.gz YKSGKZRYHXYFII-UHFFFAOYSA-N 1 0 398.320 2.843 20 0 GFADRO [NH3+][C@H](C(=O)NC[C@@H](n1cccn1)C(F)(F)F)c1ccc(Br)cc1 ZINC000884429144 663070568 /nfs/dbraw/zinc/07/05/68/663070568.db2.gz YXOFYTVMQQVRHM-NEPJUHHUSA-N 1 0 391.191 2.565 20 0 GFADRO Cc1ccc(F)c(Br)c1C(=O)Nc1cc(N2CC[NH2+]CC2)ccn1 ZINC000884462696 663071151 /nfs/dbraw/zinc/07/11/51/663071151.db2.gz MAILZGDEKSYTNH-UHFFFAOYSA-N 1 0 393.260 2.954 20 0 GFADRO OC1CC[NH+](CCNc2ncncc2-c2ccc(Br)cc2)CC1 ZINC000884524418 663072103 /nfs/dbraw/zinc/07/21/03/663072103.db2.gz XOOUAFHKFDVTNZ-UHFFFAOYSA-N 1 0 377.286 2.775 20 0 GFADRO C[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000884543796 663072363 /nfs/dbraw/zinc/07/23/63/663072363.db2.gz NTMVDJXCQIHZNT-HUBLWGQQSA-N 1 0 386.323 2.674 20 0 GFADRO Cc1[nH]c(C2CCN(c3ncc(I)cn3)CC2)[nH+]c1C ZINC000884705991 663073843 /nfs/dbraw/zinc/07/38/43/663073843.db2.gz ONZFKZVVEHPFGT-UHFFFAOYSA-N 1 0 383.237 2.805 20 0 GFADRO O=S(=O)(Cc1ccc(OC(F)(F)F)cc1)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000884950527 663079197 /nfs/dbraw/zinc/07/91/97/663079197.db2.gz PFQXVSCQCCTLFN-KBPBESRZSA-N 1 0 378.416 2.631 20 0 GFADRO COc1cc(Cl)c(S(=O)(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1Cl ZINC000884949268 663079230 /nfs/dbraw/zinc/07/92/30/663079230.db2.gz CJCNSIAJIOGNTM-GHMZBOCLSA-N 1 0 379.309 2.907 20 0 GFADRO O=S(=O)(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1cc(Br)c(F)cc1F ZINC000884950939 663079301 /nfs/dbraw/zinc/07/93/01/663079301.db2.gz UYPCWNOHFTUKMS-UWVGGRQHSA-N 1 0 395.269 2.632 20 0 GFADRO O=S(=O)(/C=C\c1cccc(Br)c1)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000884951048 663079438 /nfs/dbraw/zinc/07/94/38/663079438.db2.gz WXKQTKNSKSKROJ-LWALAHDXSA-N 1 0 385.327 2.966 20 0 GFADRO CC1(C)C[NH2+]CC[C@@H](NC(=O)C(=O)NCCc2ccc(Cl)c(Cl)c2)C1 ZINC000884964845 663080055 /nfs/dbraw/zinc/08/00/55/663080055.db2.gz SYWLSIAHEWRNEO-CYBMUJFWSA-N 1 0 386.323 2.547 20 0 GFADRO CO[C@H]1CCC[C@H]([NH2+]CCNS(=O)(=O)c2ccc(F)cc2Cl)CC1 ZINC000886107721 663103393 /nfs/dbraw/zinc/10/33/93/663103393.db2.gz YGFKIYHWDRSJCY-KBPBESRZSA-N 1 0 378.897 2.695 20 0 GFADRO OC[C@@H](C[C@@H]1CCCO1)[NH2+]Cc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000886228550 663105246 /nfs/dbraw/zinc/10/52/46/663105246.db2.gz AXYJDQXKGUUGEA-CABCVRRESA-N 1 0 380.286 2.859 20 0 GFADRO C[NH+](C)CCn1cc(C(=O)N2CCc3cc(F)c(Br)cc3C2)cn1 ZINC000886287971 663107307 /nfs/dbraw/zinc/10/73/07/663107307.db2.gz GVCPYKMZENJANQ-UHFFFAOYSA-N 1 0 395.276 2.545 20 0 GFADRO COc1nsc(C[NH2+]C[C@@H]2CC[C@]3(CO[C@H](C)C3)O2)c1Br ZINC000886329494 663108349 /nfs/dbraw/zinc/10/83/49/663108349.db2.gz FLMKLSQIVFJMTQ-BFVZDQMLSA-N 1 0 377.304 2.730 20 0 GFADRO Cc1[nH]c(C2CCN(Cc3ccc(S(=O)(=O)N(C)C)s3)CC2)[nH+]c1C ZINC000886660942 663115276 /nfs/dbraw/zinc/11/52/76/663115276.db2.gz IRWMTFUEPMXKMP-UHFFFAOYSA-N 1 0 382.555 2.718 20 0 GFADRO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@@H](CO)C[C@H]1CCCO1 ZINC000886668233 663115423 /nfs/dbraw/zinc/11/54/23/663115423.db2.gz PDHWERAHINQHCU-DAXOMENPSA-N 1 0 385.302 2.686 20 0 GFADRO CCC1([NH3+])CCN(S(=O)(=O)Cc2ccc(Br)cc2C)CC1 ZINC000886889194 663123533 /nfs/dbraw/zinc/12/35/33/663123533.db2.gz KQCYKWJVRXFAIW-UHFFFAOYSA-N 1 0 375.332 2.791 20 0 GFADRO O=S(=O)(/C=C/c1cccc(Br)c1)NC[C@H]1C[NH2+]CCC1(F)F ZINC000886896485 663123933 /nfs/dbraw/zinc/12/39/33/663123933.db2.gz LCMPKUFGIOOUIS-RPTYSRGTSA-N 1 0 395.269 2.584 20 0 GFADRO CCOC(=O)c1cc(NC(=O)NC[C@@H]2C[NH2+]CCC2(F)F)ccc1Cl ZINC000886931418 663125175 /nfs/dbraw/zinc/12/51/75/663125175.db2.gz NZHRFZYVSVYEIH-JTQLQIEISA-N 1 0 375.803 2.883 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)C(=O)Nc2cc(Br)c3ccccc3c2)CC[NH2+]1 ZINC000886984139 663127353 /nfs/dbraw/zinc/12/73/53/663127353.db2.gz RPQOZUWIUWPPFW-DGCLKSJQSA-N 1 0 390.281 2.798 20 0 GFADRO CCN(C(=O)C(=O)Nc1ccc(-c2ccc(Cl)s2)nc1)[C@H]1CC[NH2+]C1 ZINC000887007528 663128495 /nfs/dbraw/zinc/12/84/95/663128495.db2.gz MITPILVZZKWBMK-LBPRGKRZSA-N 1 0 378.885 2.612 20 0 GFADRO CCN(C(=O)C(=O)Nc1cccnc1-c1ccc(Cl)s1)[C@H]1CC[NH2+]C1 ZINC000887004286 663128496 /nfs/dbraw/zinc/12/84/96/663128496.db2.gz KVQWCFYNVGESBB-NSHDSACASA-N 1 0 378.885 2.612 20 0 GFADRO Cc1cc(Cl)c(NC(=O)C(=O)NC[C@H]2C[NH2+]CCC2(F)F)cc1Cl ZINC000887034417 663129632 /nfs/dbraw/zinc/12/96/32/663129632.db2.gz UPPYLOGZGULQBU-SECBINFHSA-N 1 0 380.222 2.601 20 0 GFADRO CSc1nccnc1C(=O)Nc1cc(Cl)ccc1N1CC[NH+](C)CC1 ZINC000887691190 663158204 /nfs/dbraw/zinc/15/82/04/663158204.db2.gz CYQLMVHKOYDPMZ-UHFFFAOYSA-N 1 0 377.901 2.856 20 0 GFADRO COCCC[N@H+](C)CCNC(=O)Nc1cccc(-c2nnsc2Cl)c1 ZINC000888865827 663221051 /nfs/dbraw/zinc/22/10/51/663221051.db2.gz GTAFOZWNRAQREZ-UHFFFAOYSA-N 1 0 383.905 2.948 20 0 GFADRO Cn1cc(C(=O)NC[C@@H]2CCC[N@@H+]2CC2CCCCC2)c(Br)n1 ZINC000888873337 663222359 /nfs/dbraw/zinc/22/23/59/663222359.db2.gz ZCMRNCBQONTUAD-AWEZNQCLSA-N 1 0 383.334 2.957 20 0 GFADRO C[NH+]1CCC2(CCN2C(=O)C[C@H]2C(=O)Nc3ccc(Br)cc32)CC1 ZINC000889218063 663237691 /nfs/dbraw/zinc/23/76/91/663237691.db2.gz MNSFHAUFLGKZBA-CQSZACIVSA-N 1 0 392.297 2.572 20 0 GFADRO C[NH+]1CCC2(CCN2C(=O)Cc2noc3ccc(Br)cc32)CC1 ZINC000889221751 663237850 /nfs/dbraw/zinc/23/78/50/663237850.db2.gz QQWZDEZFWDXVBF-UHFFFAOYSA-N 1 0 378.270 2.830 20 0 GFADRO O=C(c1oc2ccccc2c1Br)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000889745710 663262404 /nfs/dbraw/zinc/26/24/04/663262404.db2.gz YQBXMBFADYIJGG-ZIAGYGMSSA-N 1 0 393.281 2.867 20 0 GFADRO O=C(c1c(Cl)cccc1Br)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000889750951 663262854 /nfs/dbraw/zinc/26/28/54/663262854.db2.gz RCIKRFOIMYMPIX-KBPBESRZSA-N 1 0 387.705 2.774 20 0 GFADRO O=C(c1ccc(Cl)cc1Br)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000889763182 663264898 /nfs/dbraw/zinc/26/48/98/663264898.db2.gz MVDLOIJPRSJOFA-LSDHHAIUSA-N 1 0 387.705 2.774 20 0 GFADRO O=C(c1cc2c(cccc2Br)[nH]1)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000889770004 663265394 /nfs/dbraw/zinc/26/53/94/663265394.db2.gz OJFKRJIFBWTZFF-IRXDYDNUSA-N 1 0 392.297 2.602 20 0 GFADRO C[C@@](O)(C(=O)N1CCC([NH2+]C2CCC2)CC1)c1ccc(F)c(Br)c1 ZINC000889815979 663269550 /nfs/dbraw/zinc/26/95/50/663269550.db2.gz FPPHYFMAIFRPCG-SFHVURJKSA-N 1 0 399.304 2.929 20 0 GFADRO C[C@H]1C[C@@H](C(=O)Nc2ccnn2-c2ccc(Br)cn2)CC[N@@H+]1C ZINC000890311930 663295139 /nfs/dbraw/zinc/29/51/39/663295139.db2.gz HOAGBSGTCMKHGM-RYUDHWBXSA-N 1 0 378.274 2.699 20 0 GFADRO O=C(Nc1cccc(F)c1Br)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000890363699 663297538 /nfs/dbraw/zinc/29/75/38/663297538.db2.gz RPBZYVOMPGIPGY-GXTWGEPZSA-N 1 0 398.276 2.660 20 0 GFADRO O=C(NCCc1ccc(Cl)c(Cl)c1)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000890886169 663315981 /nfs/dbraw/zinc/31/59/81/663315981.db2.gz MYMRRTIROWIGCF-HNNXBMFYSA-N 1 0 386.323 2.777 20 0 GFADRO [NH3+][C@H]1C[C@@H](CNC(=O)NCC2(c3cccc(Br)c3)CCOCC2)C1 ZINC000891394689 663338294 /nfs/dbraw/zinc/33/82/94/663338294.db2.gz KITZEUIBJZYMBW-AKAXFMLLSA-N 1 0 396.329 2.534 20 0 GFADRO C[C@H](NC(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2)c1ccc(Br)cc1 ZINC000891448880 663339804 /nfs/dbraw/zinc/33/98/04/663339804.db2.gz WXGZREFGMSQLPC-BBRMVZONSA-N 1 0 396.329 2.968 20 0 GFADRO COCCC1(NC(=O)N[C@H](C)c2ccc(Br)cc2)CC[NH2+]CC1 ZINC000891448236 663339808 /nfs/dbraw/zinc/33/98/08/663339808.db2.gz HKWZVFJGNIQORA-CYBMUJFWSA-N 1 0 384.318 2.968 20 0 GFADRO COc1cc(Br)c(CNC(=O)N[C@@]23CCC[C@H]2[NH2+]CC3)cc1OC ZINC000891494099 663341311 /nfs/dbraw/zinc/34/13/11/663341311.db2.gz GZESXBCQJARYDL-NVXWUHKLSA-N 1 0 398.301 2.550 20 0 GFADRO C[C@@H](NC(=O)NCC[NH+]1CCC(O)CC1)c1cc(F)c(Cl)cc1Cl ZINC000891537310 663343051 /nfs/dbraw/zinc/34/30/51/663343051.db2.gz QQUMMIIMQPFSLL-SNVBAGLBSA-N 1 0 378.275 2.949 20 0 GFADRO CC(C)OCCCNC(=O)C1CC[NH+](C[C@H]2C[C@@]2(C)Br)CC1 ZINC000891614287 663345225 /nfs/dbraw/zinc/34/52/25/663345225.db2.gz LZOVLAMHXHRTGP-NVXWUHKLSA-N 1 0 375.351 2.803 20 0 GFADRO CSCc1cc(F)ccc1CNC(=O)N1CCc2sc(C[NH3+])nc2C1 ZINC000891663337 663346569 /nfs/dbraw/zinc/34/65/69/663346569.db2.gz GIWJOXDLCGRIJF-UHFFFAOYSA-N 1 0 380.514 2.872 20 0 GFADRO CCOc1cc(Cl)ccc1CNC(=O)N1CCc2sc(C[NH3+])nc2C1 ZINC000891706122 663347956 /nfs/dbraw/zinc/34/79/56/663347956.db2.gz LCPPXHJUZJCJAL-UHFFFAOYSA-N 1 0 380.901 2.922 20 0 GFADRO C[NH+](C)[C@H](CNc1nc(N)nc(C(F)(F)C(F)(F)F)n1)c1ccsc1 ZINC000891729837 663348843 /nfs/dbraw/zinc/34/88/43/663348843.db2.gz WSBFPMCJOZXSMV-MRVPVSSYSA-N 1 0 382.362 2.884 20 0 GFADRO Cc1cccc(CNC(=O)N2CCc3sc(C[NH3+])nc3C2)c1Br ZINC000891838332 663352508 /nfs/dbraw/zinc/35/25/08/663352508.db2.gz ALQDHZFGFKWYAS-UHFFFAOYSA-N 1 0 395.326 2.941 20 0 GFADRO CCOC(=O)c1ncc(Br)c(N2CCC(C[NH+]3CCCC3)CC2)n1 ZINC000891871953 663353553 /nfs/dbraw/zinc/35/35/53/663353553.db2.gz FYHJZVFUTUGEBR-UHFFFAOYSA-N 1 0 397.317 2.728 20 0 GFADRO Cn1cc(Br)c(C(=O)Nc2ccc(C[NH+]3CCCC3)cc2)cc1=O ZINC000892074682 663360946 /nfs/dbraw/zinc/36/09/46/663360946.db2.gz CRRSQXFYHBJENP-UHFFFAOYSA-N 1 0 390.281 2.996 20 0 GFADRO C[C@@H](CCCC[NH3+])NC(=O)N(C)C[C@@H](O)COc1cc(Cl)cc(Cl)c1 ZINC000892136604 663362923 /nfs/dbraw/zinc/36/29/23/663362923.db2.gz YQGSDOMIWHPIGN-SWLSCSKDSA-N 1 0 392.327 2.892 20 0 GFADRO COC[C@@H](NC(=O)N[C@@H]1CC12CC[NH2+]CC2)c1cccc(Br)c1 ZINC000892267345 663367920 /nfs/dbraw/zinc/36/79/20/663367920.db2.gz MKXXMTAIOTWAHL-HUUCEWRRSA-N 1 0 382.302 2.578 20 0 GFADRO C[NH2+]CCOCCNC(=O)NCc1cc(C(F)(F)F)ccc1Br ZINC000892280354 663368135 /nfs/dbraw/zinc/36/81/35/663368135.db2.gz KOHSUWYWLBSIED-UHFFFAOYSA-N 1 0 398.223 2.503 20 0 GFADRO CC1(C)CC[C@@H](CNC(=O)N2CCC(n3cc(Br)cn3)CC2)[NH2+]C1 ZINC000892391815 663372069 /nfs/dbraw/zinc/37/20/69/663372069.db2.gz LOKDZGSISGGTGZ-AWEZNQCLSA-N 1 0 398.349 2.770 20 0 GFADRO O=C(N[C@H]1[C@@H]2Cc3cc(Br)ccc3[C@@H]21)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000892426374 663373439 /nfs/dbraw/zinc/37/34/39/663373439.db2.gz FYKOGUBEZBGEEM-FITYOTRXSA-N 1 0 376.298 2.623 20 0 GFADRO C[NH2+]C[C@H]1CCCN(C(=O)N[C@@H]2[C@H]3Cc4cc(Br)ccc4[C@@H]23)C1 ZINC000892426879 663373441 /nfs/dbraw/zinc/37/34/41/663373441.db2.gz KKBKUDVGLHDVSK-GLZXHMCRSA-N 1 0 378.314 2.728 20 0 GFADRO CCN(CC)S(=O)(=O)c1ccc(C[NH2+]Cc2cn3ccnc3s2)cc1 ZINC000892446698 663373748 /nfs/dbraw/zinc/37/37/48/663373748.db2.gz IXFXUSXRVRBTHO-UHFFFAOYSA-N 1 0 378.523 2.716 20 0 GFADRO [NH3+][C@H]1C[C@@H](CNC(=O)N(Cc2cccc(Br)c2)C2CCOCC2)C1 ZINC000892558391 663377283 /nfs/dbraw/zinc/37/72/83/663377283.db2.gz URMXJIDCEXZSSD-FZNQNYSPSA-N 1 0 396.329 2.877 20 0 GFADRO [NH3+][C@H]1C[C@@H](CNC(=O)N2CCC[C@H]2c2ccc(I)cc2)C1 ZINC000892560135 663377335 /nfs/dbraw/zinc/37/73/35/663377335.db2.gz PTLHTTQNPWWRMM-GLQYFDAESA-N 1 0 399.276 2.875 20 0 GFADRO O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)N[C@@H](CCO)c1ccccc1Br ZINC000892595563 663378329 /nfs/dbraw/zinc/37/83/29/663378329.db2.gz HSRTUUPEOLMIAF-LOUJCGABSA-N 1 0 396.329 2.702 20 0 GFADRO O=C(NCc1cc(C(F)(F)F)cc(Cl)n1)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000892712151 663382975 /nfs/dbraw/zinc/38/29/75/663382975.db2.gz RIRFMGLJZSHUEK-VIFPVBQESA-N 1 0 386.752 2.798 20 0 GFADRO O=C(NC[C@H]1CC2(CO1)CC[NH2+]CC2)N1CCc2ccc(Br)cc21 ZINC000892759595 663383826 /nfs/dbraw/zinc/38/38/26/663383826.db2.gz JTKMBEOATDFHQO-OAHLLOKOSA-N 1 0 394.313 2.680 20 0 GFADRO CN(Cc1cccc(Br)c1)C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000892782137 663384675 /nfs/dbraw/zinc/38/46/75/663384675.db2.gz UNENQNRBAMWSNZ-INIZCTEOSA-N 1 0 396.329 2.749 20 0 GFADRO CCC1([NH3+])CCN(C(=O)N2CCC(n3cc(Br)cn3)CC2)CC1 ZINC000892922247 663389870 /nfs/dbraw/zinc/38/98/70/663389870.db2.gz GGXSMVGGIHJRFS-UHFFFAOYSA-N 1 0 384.322 2.606 20 0 GFADRO O=C(O[C@H]1CC[N@@H+]2CCC[C@H]2C1)[C@@H]1Cc2ccc(Br)cc2C(=O)O1 ZINC000892962380 663391194 /nfs/dbraw/zinc/39/11/94/663391194.db2.gz MFJZKGPIGUMQGS-DZKIICNBSA-N 1 0 394.265 2.701 20 0 GFADRO CCOC(=O)c1ncc(Br)c(N2CCC(CCC[NH+](C)C)CC2)n1 ZINC000893063210 663395614 /nfs/dbraw/zinc/39/56/14/663395614.db2.gz XTKBJIBFLYBPEG-UHFFFAOYSA-N 1 0 399.333 2.974 20 0 GFADRO C[C@H](Cc1cc(Br)ccc1F)[NH2+][C@@H](C)[C@H]1CCS(=O)(=O)C1 ZINC000893214951 663402368 /nfs/dbraw/zinc/40/23/68/663402368.db2.gz BIKJFMNKROGSCO-WOPDTQHZSA-N 1 0 378.307 2.932 20 0 GFADRO C[C@H]([NH2+][C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1)[C@H]1CCS(=O)(=O)C1 ZINC000893398250 663409738 /nfs/dbraw/zinc/40/97/38/663409738.db2.gz INEFQKKLPFCKOL-AVGNSLFASA-N 1 0 377.337 2.985 20 0 GFADRO C[C@H]1CN(C(=O)c2cnc(F)c(Br)c2)CCN1c1cc[nH+]cc1 ZINC000893446295 663411854 /nfs/dbraw/zinc/41/18/54/663411854.db2.gz FOYXHLNUUHGZME-NSHDSACASA-N 1 0 379.233 2.729 20 0 GFADRO O=C1[C@H]([NH2+]Cc2ncc(Br)cc2O)CCN1Cc1ccc(F)cc1 ZINC000893998873 663436512 /nfs/dbraw/zinc/43/65/12/663436512.db2.gz BYFWKZWVGIHEGA-CQSZACIVSA-N 1 0 394.244 2.580 20 0 GFADRO Cn1cc(CN2CCC(CCC[NH+](C)C)CC2)c(I)n1 ZINC000894057470 663440083 /nfs/dbraw/zinc/44/00/83/663440083.db2.gz KAZHHIFHOKNPRW-UHFFFAOYSA-N 1 0 390.313 2.579 20 0 GFADRO CC[NH+](CC)CCN(CCC(F)(F)F)Cc1nc(Br)nn1C ZINC000894076999 663441313 /nfs/dbraw/zinc/44/13/13/663441313.db2.gz SJUXNNRDGDVDHX-UHFFFAOYSA-N 1 0 386.260 2.674 20 0 GFADRO C[C@H](NC(=O)N[C@@](C)(CO)c1cccc(Br)c1)C1=CC[N@H+](C)CC1 ZINC000894104855 663442723 /nfs/dbraw/zinc/44/27/23/663442723.db2.gz JZRFHMUVXJUCIQ-UGSOOPFHSA-N 1 0 396.329 2.606 20 0 GFADRO CCS(=O)(=O)c1ccc(C[NH2+]C2CC(S(=O)(=O)c3ccccc3)C2)s1 ZINC000894134641 663444925 /nfs/dbraw/zinc/44/49/25/663444925.db2.gz LMMZJGAKBIEYRK-UHFFFAOYSA-N 1 0 399.559 2.636 20 0 GFADRO Cc1nn(-c2ccccc2)c(C)c1CNCc1nc(Br)nn1C ZINC000894150200 663445566 /nfs/dbraw/zinc/44/55/66/663445566.db2.gz WDKUMTUOBDTLQR-UHFFFAOYSA-N 1 0 375.274 2.670 20 0 GFADRO Cn1cc(C[NH2+]C2CCN(c3ccccc3)CC2)c(I)n1 ZINC000894200304 663448128 /nfs/dbraw/zinc/44/81/28/663448128.db2.gz LFZHOXCDQBXXPA-UHFFFAOYSA-N 1 0 396.276 2.783 20 0 GFADRO Cn1ccc(N2CCC[C@H]([NH2+]Cc3cc4ccnc(Cl)c4s3)C2=O)n1 ZINC000894310465 663453570 /nfs/dbraw/zinc/45/35/70/663453570.db2.gz SHXXZYJLLMYWIZ-ZDUSSCGKSA-N 1 0 375.885 2.968 20 0 GFADRO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NCc1nc(Br)nn1C ZINC000894327003 663454860 /nfs/dbraw/zinc/45/48/60/663454860.db2.gz RXLSBILIKGBZCN-HALDLXJZSA-N 1 0 392.345 2.824 20 0 GFADRO C[C@@H](C[C@H](O)c1ccccc1)[NH2+]Cc1cn(C)nc1I ZINC000894366460 663458002 /nfs/dbraw/zinc/45/80/02/663458002.db2.gz GXQZSRWTEJLBKB-FZMZJTMJSA-N 1 0 385.249 2.627 20 0 GFADRO CC(C)C[C@H]1C[C@@H]([NH2+]Cc2cn(C)nc2I)CCO1 ZINC000894376532 663458971 /nfs/dbraw/zinc/45/89/71/663458971.db2.gz SFXISBFRGIMNHB-STQMWFEESA-N 1 0 377.270 2.708 20 0 GFADRO FC(F)(F)Cc1ncc(C[NH2+]C[C@@H](N2CCOCC2)C(F)(F)F)s1 ZINC000894428046 663461049 /nfs/dbraw/zinc/46/10/49/663461049.db2.gz LJJBKGMPAMRBGI-SNVBAGLBSA-N 1 0 377.354 2.601 20 0 GFADRO CN(Cc1cnc(CC(F)(F)F)s1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000894459854 663462993 /nfs/dbraw/zinc/46/29/93/663462993.db2.gz PYJZDLWGZIMEHB-CQSZACIVSA-N 1 0 376.492 2.848 20 0 GFADRO CCN(Cc1nc(Br)nn1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000894467132 663463351 /nfs/dbraw/zinc/46/33/51/663463351.db2.gz WBOZHJHEZTWFID-HNNXBMFYSA-N 1 0 378.318 2.674 20 0 GFADRO Cc1ccccc1C[C@@H](CO)[NH2+]Cc1sc(N2CCOCC2)nc1Cl ZINC000894531676 663467226 /nfs/dbraw/zinc/46/72/26/663467226.db2.gz COALVISDBVEQIK-HNNXBMFYSA-N 1 0 381.929 2.635 20 0 GFADRO C[N@H+](CCn1cc(Br)cn1)C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000894528100 663467295 /nfs/dbraw/zinc/46/72/95/663467295.db2.gz RLVQKZBZWVCRRT-XBXGTLAGSA-N 1 0 387.322 2.881 20 0 GFADRO COCC1(C[NH2+]Cc2ccc(Br)cc2NC(C)=O)CCOCC1 ZINC000894582947 663470102 /nfs/dbraw/zinc/47/01/02/663470102.db2.gz SAHLOTBBLYRDAU-UHFFFAOYSA-N 1 0 385.302 2.940 20 0 GFADRO O=S1(=O)C[C@H](C[NH2+]Cc2cnc(CC(F)(F)F)s2)c2ccccc21 ZINC000894660586 663475132 /nfs/dbraw/zinc/47/51/32/663475132.db2.gz GKLSQNCCDHYCFO-JTQLQIEISA-N 1 0 376.425 2.909 20 0 GFADRO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)N[C@@H](c2cncc(Br)c2)C2CC2)C1 ZINC000894691159 663476501 /nfs/dbraw/zinc/47/65/01/663476501.db2.gz XLJSIJNNKNQWIV-VBNZEHGJSA-N 1 0 379.302 2.641 20 0 GFADRO CC(C)(C)OC(=O)N1CCC[C@@](C)(C[NH2+]CCC(C)(C)S(C)(=O)=O)C1 ZINC000894910915 663488013 /nfs/dbraw/zinc/48/80/13/663488013.db2.gz SVZFKWCMJNQXGQ-SFHVURJKSA-N 1 0 376.563 2.827 20 0 GFADRO CC(C)(C)[NH2+]CCNC(=O)c1ccc(Cn2cc(Br)cn2)s1 ZINC000895271019 663506174 /nfs/dbraw/zinc/50/61/74/663506174.db2.gz KIQJIBHEHZAPBG-UHFFFAOYSA-N 1 0 385.331 2.873 20 0 GFADRO CC(C)(C)OC(=O)N[C@H](C[NH2+]Cc1cnc(Br)cn1)CC(F)F ZINC000895407864 663512424 /nfs/dbraw/zinc/51/24/24/663512424.db2.gz YVUGAGGYTGPLCC-VIFPVBQESA-N 1 0 395.248 2.877 20 0 GFADRO CC[C@@H]([NH2+]Cc1c(I)cnn1C)[C@H](O)c1ccccc1 ZINC000895477209 663516596 /nfs/dbraw/zinc/51/65/96/663516596.db2.gz RZUNTGJHUIDSCV-UKRRQHHQSA-N 1 0 385.249 2.627 20 0 GFADRO CCC[NH+]1CCC(NC(=O)[C@H]2Cc3ccc(Br)cc3C(=O)O2)CC1 ZINC000895520977 663517766 /nfs/dbraw/zinc/51/77/66/663517766.db2.gz AIEPKPVIEMLAMT-MRXNPFEDSA-N 1 0 395.297 2.521 20 0 GFADRO Cn1cc(C[NH2+]C[C@@]2(C)OCCc3ccccc32)c(I)n1 ZINC000895640442 663521962 /nfs/dbraw/zinc/52/19/62/663521962.db2.gz ULBLAFNESZHBJV-MRXNPFEDSA-N 1 0 397.260 2.602 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)c1nn2c(c1Br)CCC2)c1ccc(F)cc1 ZINC000895797786 663527778 /nfs/dbraw/zinc/52/77/78/663527778.db2.gz QJMWPKWQWBZWHH-CQSZACIVSA-N 1 0 395.276 2.764 20 0 GFADRO CN(Cc1nnc2c(=O)[nH]ccn12)CC(C)(C)c1ccc(Br)cc1 ZINC000896011506 663537180 /nfs/dbraw/zinc/53/71/80/663537180.db2.gz KDFJVQLZUXLYSL-UHFFFAOYSA-N 1 0 390.285 2.590 20 0 GFADRO COc1cc(CNC(=O)[C@@]23CC[N@H+](C2)CCC3)cc(Br)c1OC ZINC000896028269 663538032 /nfs/dbraw/zinc/53/80/32/663538032.db2.gz VFUPIUBERGLISU-KRWDZBQOSA-N 1 0 383.286 2.568 20 0 GFADRO CCC[NH+](CCC)CCCNC(=O)c1c(C)[nH]nc1I ZINC000896139027 663542308 /nfs/dbraw/zinc/54/23/08/663542308.db2.gz CGKFGVZYOKRLGH-UHFFFAOYSA-N 1 0 392.285 2.565 20 0 GFADRO Cn1ccc([C@H]2CCC[N@H+](Cc3cnn4cc(Br)cnc34)C2)n1 ZINC000896487344 663558993 /nfs/dbraw/zinc/55/89/93/663558993.db2.gz FWFSCRLVRWSOFW-LBPRGKRZSA-N 1 0 375.274 2.605 20 0 GFADRO NS(=O)(=O)c1cccc(C[N@@H+]2CCC[C@H](c3nc4c(s3)CCC4)C2)c1 ZINC000896519365 663560245 /nfs/dbraw/zinc/56/02/45/663560245.db2.gz ZCIKPQLTHJINRE-AWEZNQCLSA-N 1 0 377.535 2.659 20 0 GFADRO C[C@@H](NC(=O)c1ccc(OC(F)(F)F)c(Cl)c1)[C@@H]1C[N@H+](C)CCN1C ZINC000896533190 663561749 /nfs/dbraw/zinc/56/17/49/663561749.db2.gz YEOQQCUDYFPZSL-MFKMUULPSA-N 1 0 379.810 2.603 20 0 GFADRO C[C@H](NC(=O)c1cc(F)c(Br)cc1Cl)[C@@H]1C[N@H+](C)CCN1C ZINC000896541877 663562570 /nfs/dbraw/zinc/56/25/70/663562570.db2.gz JBLREPYFBAHHAH-XPTSAGLGSA-N 1 0 392.700 2.606 20 0 GFADRO C[C@@](O)(C[NH2+]Cc1sc(N2CCOCC2)nc1Cl)c1cccc(F)c1 ZINC000896562270 663564518 /nfs/dbraw/zinc/56/45/18/663564518.db2.gz ALXUIUOUOFJQAS-QGZVFWFLSA-N 1 0 385.892 2.770 20 0 GFADRO COc1cc(Br)c(C[NH2+]CC2(C3(O)CCOCC3)CC2)cc1O ZINC000896632335 663568648 /nfs/dbraw/zinc/56/86/48/663568648.db2.gz MVHOZRLKCCTDBX-UHFFFAOYSA-N 1 0 386.286 2.575 20 0 GFADRO CC(C)[C@H](CNC(=O)c1cc2c(cncc2Cl)s1)N1CC[NH+](C)CC1 ZINC000896708375 663573013 /nfs/dbraw/zinc/57/30/13/663573013.db2.gz QIDHFXXKRIGMKU-HNNXBMFYSA-N 1 0 380.945 2.952 20 0 GFADRO CC[N@H+](C)C[C@H]1CCN(C(=O)COCCc2ccc(Br)cc2)C1 ZINC000896754676 663574819 /nfs/dbraw/zinc/57/48/19/663574819.db2.gz GPXGAVZFHPFCKV-MRXNPFEDSA-N 1 0 383.330 2.808 20 0 GFADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)c2cc3c(cncc3Cl)s2)CC1 ZINC000896898452 663581138 /nfs/dbraw/zinc/58/11/38/663581138.db2.gz SZQGUWVRERUYRF-ZDUSSCGKSA-N 1 0 380.945 2.953 20 0 GFADRO COC(=O)c1ccc(C[NH2+]CC2(n3cc(Br)cn3)CC2)cc1F ZINC000896912053 663581388 /nfs/dbraw/zinc/58/13/88/663581388.db2.gz PQZGZPTUBJTNOH-UHFFFAOYSA-N 1 0 382.233 2.850 20 0 GFADRO O=C1NC[C@@H](O)CC12CC[NH+](Cc1cc(C(F)(F)F)ccc1Cl)CC2 ZINC000897040255 663587946 /nfs/dbraw/zinc/58/79/46/663587946.db2.gz FANKBMRAPSORCL-ZDUSSCGKSA-N 1 0 376.806 2.822 20 0 GFADRO O=C1NC[C@H](O)CC12CC[NH+](Cc1cc(Cl)cc(C(F)(F)F)c1)CC2 ZINC000897042075 663587988 /nfs/dbraw/zinc/58/79/88/663587988.db2.gz MFEMHASURBTLDW-CQSZACIVSA-N 1 0 376.806 2.822 20 0 GFADRO OCC[N@@H+]1CCC[C@H]2[C@@H]1CCN2c1ncnc2cc(F)c(Br)cc21 ZINC000897221334 663595391 /nfs/dbraw/zinc/59/53/91/663595391.db2.gz LOMIJPNIBZOSMK-HOTGVXAUSA-N 1 0 395.276 2.567 20 0 GFADRO OCC[N@@H+]1CCC[C@H]2[C@H]1CCN2c1ccc(Br)c(C(F)(F)F)n1 ZINC000897221329 663595463 /nfs/dbraw/zinc/59/54/63/663595463.db2.gz LMZRVLJORXHROD-NEPJUHHUSA-N 1 0 394.235 2.898 20 0 GFADRO Cc1[nH]nc(I)c1C(=O)Nc1cc(C)cc(C[NH+](C)C)c1 ZINC000897239237 663596355 /nfs/dbraw/zinc/59/63/55/663596355.db2.gz WJUPXTYFDRNAIV-UHFFFAOYSA-N 1 0 398.248 2.945 20 0 GFADRO CS[C@H]1CN(C(=O)c2csc(N3CCCCC3)n2)C[C@@H]1[NH+]1CCCC1 ZINC000897376833 663603600 /nfs/dbraw/zinc/60/36/00/663603600.db2.gz GVOZHTLWMMZIRR-HOTGVXAUSA-N 1 0 380.583 2.785 20 0 GFADRO O=C1NCCN1CC1CC[NH+](Cc2ccccc2I)CC1 ZINC000897581592 663612249 /nfs/dbraw/zinc/61/22/49/663612249.db2.gz CWBCWFQWHLRYLP-UHFFFAOYSA-N 1 0 399.276 2.528 20 0 GFADRO O=C(Nc1ccc(OCC(F)(F)F)c(Cl)c1)C1C[NH+]([C@H]2CCOC2)C1 ZINC000897674546 663615221 /nfs/dbraw/zinc/61/52/21/663615221.db2.gz ZCKBVTIZVOONFC-LBPRGKRZSA-N 1 0 378.778 2.940 20 0 GFADRO COc1ccc2c(c1)CC[C@@H]2[NH2+][C@H]1Cc2cc(Br)cnc2NC1=O ZINC000897977333 663627722 /nfs/dbraw/zinc/62/77/22/663627722.db2.gz DDDYUOSFMHTOSG-HOTGVXAUSA-N 1 0 388.265 2.993 20 0 GFADRO C[C@@H](Cc1ccc(O)cc1)[NH2+][C@H]1Cc2cc(Br)cnc2NC1=O ZINC000897977626 663627987 /nfs/dbraw/zinc/62/79/87/663627987.db2.gz GHOOAYIYLYQFPV-BONVTDFDSA-N 1 0 376.254 2.634 20 0 GFADRO COc1ccc(C[NH2+][C@H]2Cc3cc(Br)cnc3NC2=O)cc1OC ZINC000897977768 663628051 /nfs/dbraw/zinc/62/80/51/663628051.db2.gz KBLYAYGKFMNALO-ZDUSSCGKSA-N 1 0 392.253 2.514 20 0 GFADRO COc1nn(C)cc1C[NH2+][C@H]1CCc2ccc(I)cc21 ZINC000898025741 663630696 /nfs/dbraw/zinc/63/06/96/663630696.db2.gz OSIQHWUWAGXGLC-AWEZNQCLSA-N 1 0 383.233 2.810 20 0 GFADRO COc1ccc(C[NH2+]C[C@]2(c3cnn(C)c3)CCCO2)c(Br)c1 ZINC000898053785 663631494 /nfs/dbraw/zinc/63/14/94/663631494.db2.gz ILYSUFAALDMHOI-KRWDZBQOSA-N 1 0 380.286 2.987 20 0 GFADRO COc1c(Br)cccc1C[NH2+]C[C@]1(c2cnn(C)c2)CCCO1 ZINC000898056987 663631579 /nfs/dbraw/zinc/63/15/79/663631579.db2.gz RDQKMTGIUMNDAA-KRWDZBQOSA-N 1 0 380.286 2.987 20 0 GFADRO Cc1cc(Br)c(C(=O)N2CCC(CO)([NH2+]CC3CC3)CC2)s1 ZINC000898111518 663634004 /nfs/dbraw/zinc/63/40/04/663634004.db2.gz XUVSNQDNOGMWNA-UHFFFAOYSA-N 1 0 387.343 2.786 20 0 GFADRO O=c1cc(N2CC[C@@H]([NH2+][C@@H]3CCc4cccc(Br)c4C3)C2)nc[nH]1 ZINC000898152914 663636014 /nfs/dbraw/zinc/63/60/14/663636014.db2.gz PZEADOIDVHVMGD-ZIAGYGMSSA-N 1 0 389.297 2.671 20 0 GFADRO C[C@H](Cc1ccc(Br)cc1)[NH2+][C@H]1CCN(c2cc(=O)[nH]cn2)C1 ZINC000898153180 663636380 /nfs/dbraw/zinc/63/63/80/663636380.db2.gz UKLSJQRXJYPLIS-DOMZBBRYSA-N 1 0 377.286 2.744 20 0 GFADRO CN(CCCC[NH+]1CCCCC1)C(=O)NCc1ncc(Br)cn1 ZINC000898381559 663646002 /nfs/dbraw/zinc/64/60/02/663646002.db2.gz ITFZKQHIMQJHQD-UHFFFAOYSA-N 1 0 384.322 2.647 20 0 GFADRO OC[C@H]([NH2+]C1CC(n2cccn2)C1)c1ccccc1I ZINC000898512372 663653861 /nfs/dbraw/zinc/65/38/61/663653861.db2.gz JVNRJCXOEQTMLN-QOZQQMKHSA-N 1 0 383.233 2.514 20 0 GFADRO C[C@H]([NH2+][C@H](CO)c1ccccc1I)[C@@H]1CCCOC1 ZINC000898512595 663654054 /nfs/dbraw/zinc/65/40/54/663654054.db2.gz LFWULWGWWBSJGA-YWPYICTPSA-N 1 0 375.250 2.729 20 0 GFADRO Brc1cnc2n1C[C@H]([NH2+]Cc1cncc(Br)c1)CC2 ZINC000898725652 663661682 /nfs/dbraw/zinc/66/16/82/663661682.db2.gz UORRESDWPQFRMG-LLVKDONJSA-N 1 0 386.091 2.908 20 0 GFADRO C[N@@H+]1CC[C@H]2CN(C(=O)COCCc3ccc(Br)cc3)CC[C@@H]21 ZINC000899177579 663678593 /nfs/dbraw/zinc/67/85/93/663678593.db2.gz BTTNTWKBIKUMNR-RDJZCZTQSA-N 1 0 381.314 2.561 20 0 GFADRO C[C@@H](NC(=O)c1cc([C@H]2CCCN2C)n[nH]1)c1ccncc1Br ZINC000899195692 663679470 /nfs/dbraw/zinc/67/94/70/663679470.db2.gz ZPHQWGCTARDWRA-MEBBXXQBSA-N 1 0 378.274 2.825 20 0 GFADRO COCC[N@@H+]1CC[C@@H](NC(=S)Nc2ccccc2OCC(F)(F)F)C1 ZINC000899469317 663689731 /nfs/dbraw/zinc/68/97/31/663689731.db2.gz QOPWXOWMGGYGPP-GFCCVEGCSA-N 1 0 377.432 2.635 20 0 GFADRO Cc1sc(N2CCSCC2)nc1-c1cn(C[C@@H]2CCCC[NH2+]C2)nn1 ZINC000899751658 663700119 /nfs/dbraw/zinc/70/01/19/663700119.db2.gz HXFBUFQBGZDHCV-CQSZACIVSA-N 1 0 378.571 2.653 20 0 GFADRO CN(CC(=O)Nc1ccccc1Br)C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC000899957577 663704399 /nfs/dbraw/zinc/70/43/99/663704399.db2.gz WSNCNBIMOSDQFG-XJKSGUPXSA-N 1 0 394.313 2.863 20 0 GFADRO O=C(c1cc2c(cncc2Cl)s1)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000900023610 663706619 /nfs/dbraw/zinc/70/66/19/663706619.db2.gz QBVSWBZUMFIKOG-UHFFFAOYSA-N 1 0 378.929 2.803 20 0 GFADRO CC(C)[NH+]1CCN(CCC(=O)NCCOc2cccc(Cl)c2Cl)CC1 ZINC000900354163 663713158 /nfs/dbraw/zinc/71/31/58/663713158.db2.gz UUKQQDKEAWZABP-UHFFFAOYSA-N 1 0 388.339 2.905 20 0 GFADRO O=C(NCCc1ccccc1Br)C1CCC([NH+]2CCOCC2)CC1 ZINC000900435118 663714386 /nfs/dbraw/zinc/71/43/86/663714386.db2.gz DNQIPEFZAIBYAL-UHFFFAOYSA-N 1 0 395.341 2.999 20 0 GFADRO COCc1c(Br)cccc1NC(=O)c1ccnn1CC[NH+](C)C ZINC000900489972 663715443 /nfs/dbraw/zinc/71/54/43/663715443.db2.gz SRXRCDXTYFWADX-UHFFFAOYSA-N 1 0 381.274 2.606 20 0 GFADRO COCc1c(Br)cccc1NC(=O)C1C[NH+](C2CCOCC2)C1 ZINC000900489049 663715454 /nfs/dbraw/zinc/71/54/54/663715454.db2.gz MVSHUUOFYNTJSI-UHFFFAOYSA-N 1 0 383.286 2.645 20 0 GFADRO C[NH+]1CCC(NCc2cn(CCOc3ccc(Cl)cc3Cl)nn2)CC1 ZINC000900495884 663715799 /nfs/dbraw/zinc/71/57/99/663715799.db2.gz NALQDVAPHJWLKS-UHFFFAOYSA-N 1 0 384.311 2.848 20 0 GFADRO C[N@@H+]1CCC[C@@](O)(CC(=O)N2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)C1 ZINC000900529525 663716480 /nfs/dbraw/zinc/71/64/80/663716480.db2.gz WMAFZDHOGGYZMR-FUHWJXTLSA-N 1 0 387.307 2.740 20 0 GFADRO COC(=O)c1cc(Br)c(Cn2cc([C@@H]([NH3+])C(C)C)nn2)cc1OC ZINC000900595541 663717564 /nfs/dbraw/zinc/71/75/64/663717564.db2.gz IBSHNIUAODLVEL-HNNXBMFYSA-N 1 0 397.273 2.540 20 0 GFADRO Cc1ccc(F)c(Br)c1C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000900693394 663719812 /nfs/dbraw/zinc/71/98/12/663719812.db2.gz RKAWAGMLRGCNGJ-LBPRGKRZSA-N 1 0 386.309 2.510 20 0 GFADRO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)[C@@H](O)c2cccc(Br)c2)C1 ZINC000900914928 663723809 /nfs/dbraw/zinc/72/38/09/663723809.db2.gz LVLJVOPBIDNHJI-YOEHRIQHSA-N 1 0 381.314 2.673 20 0 GFADRO CCO[C@@H](CC[NH+](C)C)CNC(=O)Cc1c[nH]c2ccc(Br)cc12 ZINC000900993626 663728331 /nfs/dbraw/zinc/72/83/31/663728331.db2.gz KEZDISJFOLZZEH-HNNXBMFYSA-N 1 0 396.329 2.946 20 0 GFADRO C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)NCc1cc(Cl)cc(Cl)c1OC(F)F ZINC000901017081 663728920 /nfs/dbraw/zinc/72/89/20/663728920.db2.gz KCRKLWHZUULYOD-MEBBXXQBSA-N 1 0 383.222 2.666 20 0 GFADRO CCOc1cc(Br)ccc1NC(=O)C1C[NH+](C2CCOCC2)C1 ZINC000901093221 663730453 /nfs/dbraw/zinc/73/04/53/663730453.db2.gz BNLVDNMXJYJGHK-UHFFFAOYSA-N 1 0 383.286 2.897 20 0 GFADRO C[C@H](NC(=O)c1ccnn1CC[NH+](C)C)[C@H](O)c1c(Cl)cccc1Cl ZINC000901136345 663730862 /nfs/dbraw/zinc/73/08/62/663730862.db2.gz CRCFCYKKVLZHSH-ZBEGNZNMSA-N 1 0 385.295 2.603 20 0 GFADRO NC(=O)[C@H]([NH2+]C[C@@H]1CCCN1CC(F)(F)F)c1cccc(Br)c1 ZINC000901572285 663737975 /nfs/dbraw/zinc/73/79/75/663737975.db2.gz IZHJKESBRPZHEL-QWHCGFSZSA-N 1 0 394.235 2.592 20 0 GFADRO Cc1cc(Br)c(OCC(=O)[O-])c(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)c1 ZINC000902412620 663760958 /nfs/dbraw/zinc/76/09/58/663760958.db2.gz BSYMBJVOMLHBBJ-XBXGTLAGSA-N 1 0 385.302 2.651 20 0 GFADRO O[C@@H]1CC[C@@H]([NH2+]Cc2cc(Br)ccc2Br)CC[C@@H]1O ZINC000902646708 663765223 /nfs/dbraw/zinc/76/52/23/663765223.db2.gz SWRWPAKZEVCQPM-DEZZGGKRSA-N 1 0 393.119 2.966 20 0 GFADRO C[C@@H]([NH2+]Cc1c(I)cnn1C)[C@@H]1COc2ccccc2C1 ZINC000903080549 663772668 /nfs/dbraw/zinc/77/26/68/663772668.db2.gz PORKJOMIRZBKJR-YPMHNXCESA-N 1 0 397.260 2.754 20 0 GFADRO CN(C)S(=O)(=O)Cc1ccc(C[NH2+][C@@H]2CC[C@@H]3SCCS[C@H]23)cc1 ZINC000903172952 663777060 /nfs/dbraw/zinc/77/70/60/663777060.db2.gz HBVGFVZEFWJCDC-IXDOHACOSA-N 1 0 386.608 2.547 20 0 GFADRO Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)[NH2+]C[C@H]1CC[C@H](C(F)(F)F)O1 ZINC000903179541 663777121 /nfs/dbraw/zinc/77/71/21/663777121.db2.gz QDAKZNWWGPBKNM-YWPYICTPSA-N 1 0 380.432 2.711 20 0 GFADRO COc1ccc(Cl)c2c1CCC[C@H]2[NH2+]CCS(=O)(=O)C1CCOCC1 ZINC000903179200 663777251 /nfs/dbraw/zinc/77/72/51/663777251.db2.gz NYCQYKKCJCWXST-MRXNPFEDSA-N 1 0 387.929 2.909 20 0 GFADRO C[C@H]([NH2+]C[C@H]1CC[C@H](C(F)(F)F)O1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000903181938 663777356 /nfs/dbraw/zinc/77/73/56/663777356.db2.gz YNWSNTMFAKNRRP-NJZAAPMLSA-N 1 0 380.432 2.697 20 0 GFADRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]CCCCS(C)(=O)=O)CC(C)(C)C1 ZINC000903192365 663777768 /nfs/dbraw/zinc/77/77/68/663777768.db2.gz MFBBDMOKBWOUEH-HNNXBMFYSA-N 1 0 376.563 2.827 20 0 GFADRO CN1C[C@@H](CC[NH2+]C2CCN(Cc3ccccc3Br)CC2)CC1=O ZINC000903215977 663778837 /nfs/dbraw/zinc/77/88/37/663778837.db2.gz RXHVLBGYDSMMQQ-HNNXBMFYSA-N 1 0 394.357 2.872 20 0 GFADRO C[C@H]([NH2+]CC[C@@H]1CCCS1(=O)=O)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000903222084 663778981 /nfs/dbraw/zinc/77/89/81/663778981.db2.gz XXZWBXOPKNOHMM-AAEUAGOBSA-N 1 0 399.456 2.598 20 0 GFADRO CS(C)(=O)=NS(=O)(=O)CC[NH2+][C@@H]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000903228214 663779385 /nfs/dbraw/zinc/77/93/85/663779385.db2.gz XDTPUARWSNTUNG-DZGCQCFKSA-N 1 0 378.947 2.623 20 0 GFADRO CS(C)(=O)=NS(=O)(=O)CC[NH2+][C@H](Cc1ccccc1)c1ccccc1 ZINC000903228779 663779441 /nfs/dbraw/zinc/77/94/41/663779441.db2.gz BERFPEOCZLHJRV-GOSISDBHSA-N 1 0 380.535 2.617 20 0 GFADRO C[C@@H]([NH2+][C@@H]1CCO[C@H]1C1CC1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000903261529 663780783 /nfs/dbraw/zinc/78/07/83/663780783.db2.gz ZEBPZGHNKJKVJR-YVILZHTOSA-N 1 0 379.309 2.859 20 0 GFADRO Cn1nnnc1CCC[NH2+][C@H](c1ccco1)c1ccc(Br)cc1 ZINC000903349530 663782406 /nfs/dbraw/zinc/78/24/06/663782406.db2.gz WIOHGFADQBKLPR-INIZCTEOSA-N 1 0 376.258 2.877 20 0 GFADRO CC(C)O[C@]1(C[NH2+][C@@H](C)c2ccc(S(=O)(=O)C(F)F)cc2)CCOC1 ZINC000903361095 663782433 /nfs/dbraw/zinc/78/24/33/663782433.db2.gz PJFLOGSWAWDDKV-GUYCJALGSA-N 1 0 377.453 2.918 20 0 GFADRO CC[C@H]([NH2+]C[C@]1(OC)CCS(=O)(=O)C1)c1ccc(OC(F)(F)F)cc1 ZINC000903362966 663782558 /nfs/dbraw/zinc/78/25/58/663782558.db2.gz KQGAGVWEYMXZMQ-LSDHHAIUSA-N 1 0 381.416 2.830 20 0 GFADRO CO[C@]1(C[NH2+][C@H](c2cccc(C(F)(F)F)c2)C2CC2)CCS(=O)(=O)C1 ZINC000903364842 663782858 /nfs/dbraw/zinc/78/28/58/663782858.db2.gz CMXWRDVERJKXMR-HOTGVXAUSA-N 1 0 377.428 2.950 20 0 GFADRO CO[C@@]1(C[NH2+][C@@H]2CCCc3c(Br)cccc32)CCS(=O)(=O)C1 ZINC000903365321 663782968 /nfs/dbraw/zinc/78/29/68/663782968.db2.gz LXHGNWZHZFLMEX-HZPDHXFCSA-N 1 0 388.327 2.620 20 0 GFADRO CO[C@@]1(C[NH2+][C@@H](C)c2cc(Cl)ccc2OC(F)F)CCS(=O)(=O)C1 ZINC000903368476 663783220 /nfs/dbraw/zinc/78/32/20/663783220.db2.gz NRYYJSSAUHGJEK-ZUZCIYMTSA-N 1 0 383.844 2.796 20 0 GFADRO COc1ncc([C@@H](C)[NH2+][C@H]2CCN(c3cn[nH]c(=O)c3Cl)C2)cc1Cl ZINC000903434236 663784656 /nfs/dbraw/zinc/78/46/56/663784656.db2.gz KTRDEPCUXMGWEA-KOLCDFICSA-N 1 0 384.267 2.822 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCN(c2cn[nH]c(=O)c2Cl)C1)c1ccc(Br)nc1 ZINC000903434252 663784686 /nfs/dbraw/zinc/78/46/86/663784686.db2.gz KWZBOEQCCITKKV-GXSJLCMTSA-N 1 0 398.692 2.923 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCN(c2cn[nH]c(=O)c2Cl)C1)c1cccc(Br)n1 ZINC000903434073 663784703 /nfs/dbraw/zinc/78/47/03/663784703.db2.gz IPJDUPHSVWJRLE-VHSXEESVSA-N 1 0 398.692 2.923 20 0 GFADRO C[C@H]([NH2+][C@@H]1COC[C@H]1C1CC1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000903438218 663784865 /nfs/dbraw/zinc/78/48/65/663784865.db2.gz STUCPRMGIJGSNM-YLGCSUCGSA-N 1 0 379.309 2.716 20 0 GFADRO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCCN2S(=O)(=O)c2cc3ccccc3s2)C1 ZINC000903507686 663785949 /nfs/dbraw/zinc/78/59/49/663785949.db2.gz IMDDFCLDUSEZFS-BZUAXINKSA-N 1 0 380.535 2.951 20 0 GFADRO [NH3+]C1C[C@H]2CCC[C@@H](C1)N2S(=O)(=O)Cc1cccc(F)c1Br ZINC000903513269 663786251 /nfs/dbraw/zinc/78/62/51/663786251.db2.gz FLXMPUYTGHGIHV-YHWZYXNKSA-N 1 0 391.306 2.762 20 0 GFADRO CN(Cc1c(F)cccc1Cl)C(=O)CN1CC[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903533475 663787447 /nfs/dbraw/zinc/78/74/47/663787447.db2.gz CYOPCSDSPILKDC-BXUZGUMPSA-N 1 0 381.801 2.649 20 0 GFADRO [NH3+][C@H]1CN(CC(=O)Nc2ccc(Br)cc2F)CC[C@@H]1C(F)(F)F ZINC000903535473 663787742 /nfs/dbraw/zinc/78/77/42/663787742.db2.gz ZNGYAVPPRGQHEJ-ONGXEEELSA-N 1 0 398.198 2.738 20 0 GFADRO NC(=O)[C@H](c1ccc(Br)cc1)N1C[C@H](C[NH3+])Cc2cc(F)ccc21 ZINC000903567913 663788845 /nfs/dbraw/zinc/78/88/45/663788845.db2.gz GAFOULYWQGERMM-GTNSWQLSSA-N 1 0 392.272 2.752 20 0 GFADRO [NH3+][C@@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2Cl)C[C@H]1C(F)(F)F ZINC000903572498 663789210 /nfs/dbraw/zinc/78/92/10/663789210.db2.gz SVTZTYRUTKGBMD-VXNVDRBHSA-N 1 0 396.740 2.869 20 0 GFADRO [NH3+]C[C@@]12CC[C@H]1CCN2S(=O)(=O)c1oc2ccccc2c1Br ZINC000903587297 663790705 /nfs/dbraw/zinc/79/07/05/663790705.db2.gz ZCJWFWVHRZLDAX-BONVTDFDSA-N 1 0 385.283 2.697 20 0 GFADRO [NH3+]C[C@@]12CC[C@H]1CCN2S(=O)(=O)c1cc(Cl)ccc1Br ZINC000903590623 663790825 /nfs/dbraw/zinc/79/08/25/663790825.db2.gz XUMGJDQAJWRZOG-ZANVPECISA-N 1 0 379.707 2.604 20 0 GFADRO C[C@@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)C(=O)N1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903721368 663805130 /nfs/dbraw/zinc/80/51/30/663805130.db2.gz RBNBUMAXHZUCCN-MBNYWOFBSA-N 1 0 386.323 2.956 20 0 GFADRO Brc1cnc([C@@H]2CCCN2C[C@@H]2CC3(CO2)CC[NH2+]CC3)nc1 ZINC000903786505 663806692 /nfs/dbraw/zinc/80/66/92/663806692.db2.gz KPTZOEHVFCTRQR-GJZGRUSLSA-N 1 0 381.318 2.535 20 0 GFADRO COCC[C@H]1C[NH2+]CCN1Cc1ncc(-c2ccccc2Br)o1 ZINC000903836168 663808176 /nfs/dbraw/zinc/80/81/76/663808176.db2.gz FKQGPJKIIIGGNF-ZDUSSCGKSA-N 1 0 380.286 2.914 20 0 GFADRO CCOC(=O)c1sc(CC2CCN(C[C@H]([NH3+])CC(F)F)CC2)nc1C ZINC000903937724 663812747 /nfs/dbraw/zinc/81/27/47/663812747.db2.gz QIOMIANSLYNWGB-CYBMUJFWSA-N 1 0 375.485 2.865 20 0 GFADRO Cc1c(C[C@H](C[NH3+])CN2CCc3ccc(F)c(Br)c3C2)cnn1C ZINC000903935076 663812821 /nfs/dbraw/zinc/81/28/21/663812821.db2.gz LXYXSANNYDJMEJ-CYBMUJFWSA-N 1 0 395.320 2.806 20 0 GFADRO COc1cc(Br)c(CN2CCc3sc(C[NH3+])nc3C2)cc1O ZINC000903942620 663813032 /nfs/dbraw/zinc/81/30/32/663813032.db2.gz SXMXAZSWHPPLAB-UHFFFAOYSA-N 1 0 384.299 2.637 20 0 GFADRO CCS(=O)(=O)c1c(Cl)cccc1CN1CCc2sc(C[NH3+])nc2C1 ZINC000903944293 663813439 /nfs/dbraw/zinc/81/34/39/663813439.db2.gz HVNGYUXZMPSSEF-UHFFFAOYSA-N 1 0 385.942 2.607 20 0 GFADRO [NH3+][C@@H]1CN(Cc2nc3ccccn3c2Br)CC[C@H]1C(F)(F)F ZINC000903984116 663815229 /nfs/dbraw/zinc/81/52/29/663815229.db2.gz PHMJDFUQPDVZIE-NXEZZACHSA-N 1 0 377.208 2.808 20 0 GFADRO COc1cc(Br)c(CN2CC[C@H](C(F)(F)F)[C@H]([NH3+])C2)cc1O ZINC000903983624 663815251 /nfs/dbraw/zinc/81/52/51/663815251.db2.gz KMIQPSSTSYWPKP-GXSJLCMTSA-N 1 0 383.208 2.875 20 0 GFADRO [NH3+]C[C@@]12CC[C@H]1CCN2C(=O)Nc1cc2c(cc1Br)OCCO2 ZINC000904279346 663829952 /nfs/dbraw/zinc/82/99/52/663829952.db2.gz TXJBVEIPJGWXSJ-QFYYESIMSA-N 1 0 382.258 2.565 20 0 GFADRO COCC[C@@H]1C[NH2+]CCN1C(=O)Nc1cc2ccccc2nc1Br ZINC000904449593 663834814 /nfs/dbraw/zinc/83/48/14/663834814.db2.gz LMCOAZZGKDCGBS-CYBMUJFWSA-N 1 0 393.285 2.840 20 0 GFADRO COCC[C@H]1C[NH2+]CCN1C(=O)Nc1cccc(Cl)c1Br ZINC000904444267 663834836 /nfs/dbraw/zinc/83/48/36/663834836.db2.gz PHNIVFFGQKEXHH-JTQLQIEISA-N 1 0 376.682 2.945 20 0 GFADRO C[C@H]1C[C@@H](CN2CCn3c(c(Br)nc3C(F)(F)F)C2)CC[NH2+]1 ZINC000904469020 663835448 /nfs/dbraw/zinc/83/54/48/663835448.db2.gz HZZCNUDPYJVFHK-UWVGGRQHSA-N 1 0 381.240 2.868 20 0 GFADRO COCCOc1ccc(NC(=O)N2C3CCC2(C[NH3+])CC3)cc1Br ZINC000904549632 663837475 /nfs/dbraw/zinc/83/74/75/663837475.db2.gz VJCUYSOSXYMSJD-UHFFFAOYSA-N 1 0 398.301 2.962 20 0 GFADRO C[NH2+]C[C@H]1CCN(C(=O)Nc2ccc(OCCOC)c(Br)c2)C1 ZINC000904550938 663837694 /nfs/dbraw/zinc/83/76/94/663837694.db2.gz HZCUNLMPVHHXOQ-GFCCVEGCSA-N 1 0 386.290 2.548 20 0 GFADRO COC(=O)c1cc(NC(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)cc(F)c1Cl ZINC000904570364 663838394 /nfs/dbraw/zinc/83/83/94/663838394.db2.gz XJOVBBFCANAZFL-PSASIEDQSA-N 1 0 383.729 2.619 20 0 GFADRO C[C@@H](c1cccs1)c1noc(-c2cc(Br)cn(CC[NH3+])c2=O)n1 ZINC000904618038 663838728 /nfs/dbraw/zinc/83/87/28/663838728.db2.gz WUIPRIDKKHOJBZ-VIFPVBQESA-N 1 0 395.282 2.833 20 0 GFADRO COc1nc(C)c(Br)cc1-c1noc(Cc2csc(C[NH3+])n2)n1 ZINC000904708395 663841527 /nfs/dbraw/zinc/84/15/27/663841527.db2.gz OJKPKQZSRDHNTG-UHFFFAOYSA-N 1 0 396.270 2.717 20 0 GFADRO CC(C)(C[NH3+])Cc1nc(COc2ccc(I)cc2)no1 ZINC000904709232 663841883 /nfs/dbraw/zinc/84/18/83/663841883.db2.gz UGEOTKPOPAFWLG-UHFFFAOYSA-N 1 0 387.221 2.781 20 0 GFADRO Cc1csc([C@](O)(CC(=O)N2CCC[C@H](C)[C@H]2CC[NH3+])C(F)(F)F)n1 ZINC000904927349 663847908 /nfs/dbraw/zinc/84/79/08/663847908.db2.gz CDHHVMADCNRTLH-JVLSTEMRSA-N 1 0 379.448 2.567 20 0 GFADRO C[C@H]1C[C@H]([NH2+]C[C@@H](O)c2ccc(Cl)c(Cl)c2)C(=O)N1c1cnn(C)c1 ZINC000905144450 663855214 /nfs/dbraw/zinc/85/52/14/663855214.db2.gz JFKWGVYASWZELO-CIISACIHSA-N 1 0 383.279 2.544 20 0 GFADRO COCCC(=O)N1CCC([NH2+]C[C@H](O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000905178119 663856988 /nfs/dbraw/zinc/85/69/88/663856988.db2.gz ZHHBSPFJSRXKDU-INIZCTEOSA-N 1 0 375.296 2.644 20 0 GFADRO O[C@H](C[NH2+]CCCn1cc(Br)cn1)COc1ccc2cc[nH]c2c1 ZINC000905263408 663862989 /nfs/dbraw/zinc/86/29/89/663862989.db2.gz VRGUQQIFHYZESL-OAHLLOKOSA-N 1 0 393.285 2.547 20 0 GFADRO CCC[NH+]1CCC(NC(=O)c2cnnn2-c2ccccc2Br)CC1 ZINC000905314771 663865576 /nfs/dbraw/zinc/86/55/76/663865576.db2.gz GUWHXBZGNJEPCN-UHFFFAOYSA-N 1 0 392.301 2.634 20 0 GFADRO O=S(=O)(CC1CC[NH2+]CC1)N1CCC[C@H]1c1ccccc1Br ZINC000905342575 663866437 /nfs/dbraw/zinc/86/64/37/663866437.db2.gz JRRVXPHEJKGFMR-INIZCTEOSA-N 1 0 387.343 2.915 20 0 GFADRO CC1(C)C[NH2+][C@H]1C1CCN(S(=O)(=O)c2c[nH]c3nccc(Cl)c23)CC1 ZINC000905355518 663867259 /nfs/dbraw/zinc/86/72/59/663867259.db2.gz FUUOIENEGCCCNG-HNNXBMFYSA-N 1 0 382.917 2.615 20 0 GFADRO CC1(C)C[NH2+][C@@H]1C1CCN(S(=O)(=O)c2cscc2Br)CC1 ZINC000905355351 663867263 /nfs/dbraw/zinc/86/72/63/663867263.db2.gz CZMUFQQKDSNEMM-CYBMUJFWSA-N 1 0 393.372 2.909 20 0 GFADRO O[C@@H](C[NH2+]C[C@@H](O)C[C@@H](O)c1ccccc1)c1cccc(Br)c1 ZINC000905369863 663867914 /nfs/dbraw/zinc/86/79/14/663867914.db2.gz DBHLIHPCYVOVAD-KSZLIROESA-N 1 0 380.282 2.557 20 0 GFADRO O[C@H](CC[C@H](O)c1ccccc1)C[NH2+]C[C@H](O)c1ccccc1Br ZINC000905368463 663867945 /nfs/dbraw/zinc/86/79/45/663867945.db2.gz RLJFYIJZCATUNI-MNEFBYGVSA-N 1 0 394.309 2.947 20 0 GFADRO O[C@@H](C[NH2+]C[C@H](O)c1cccc(Br)c1)C[C@H](O)c1ccccc1 ZINC000905369868 663867947 /nfs/dbraw/zinc/86/79/47/663867947.db2.gz DBHLIHPCYVOVAD-SQNIBIBYSA-N 1 0 380.282 2.557 20 0 GFADRO O=C(CC[NH2+]CC[C@H]1CCCS1(=O)=O)Nc1cccc(C(F)(F)F)c1 ZINC000905429928 663871134 /nfs/dbraw/zinc/87/11/34/663871134.db2.gz GCJFNJXEJASNPQ-CQSZACIVSA-N 1 0 378.416 2.591 20 0 GFADRO O[C@H](C[NH2+]C[C@H](O)C(F)(F)C(F)(F)F)c1ccc(F)c(Br)c1 ZINC000905446486 663871663 /nfs/dbraw/zinc/87/16/63/663871663.db2.gz HPKPLCPWYIRHBE-ZJUUUORDSA-N 1 0 396.125 2.770 20 0 GFADRO C[C@H](OC[C@@H](O)C[NH2+]C[C@@H](O)C(F)(F)C(F)(F)F)c1ccc(Cl)cc1 ZINC000905446734 663871678 /nfs/dbraw/zinc/87/16/78/663871678.db2.gz LBNBIHNHHKQCPO-TVYUQYBPSA-N 1 0 391.764 2.927 20 0 GFADRO Cc1ccc(Cl)c(OC[C@H](O)C[NH2+]C[C@@H](O)C(F)(F)C(F)(F)F)c1 ZINC000905448556 663872016 /nfs/dbraw/zinc/87/20/16/663872016.db2.gz XMUDOZMFLMWHES-BXKDBHETSA-N 1 0 377.737 2.536 20 0 GFADRO CC[NH+](CC)[C@H](CNC(=O)c1nnn(C)c1C(F)(F)F)c1ccsc1 ZINC000906130420 663928123 /nfs/dbraw/zinc/92/81/23/663928123.db2.gz ZTKXZBKMLYBKIY-LLVKDONJSA-N 1 0 375.420 2.708 20 0 GFADRO C[C@@H](CNC(=O)c1cc(Br)cn(C2CC2)c1=O)[N@@H+]1CCCC[C@@H]1C ZINC000906150605 663929360 /nfs/dbraw/zinc/92/93/60/663929360.db2.gz OAAHPHQGKHQNFE-STQMWFEESA-N 1 0 396.329 2.938 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cnnn1-c1cc(Cl)ccc1Cl ZINC000906239023 663933515 /nfs/dbraw/zinc/93/35/15/663933515.db2.gz IEZKURADAHJPDB-CHWSQXEVSA-N 1 0 380.279 2.931 20 0 GFADRO O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1cnnn1-c1cc(Cl)ccc1Cl ZINC000906239029 663933521 /nfs/dbraw/zinc/93/35/21/663933521.db2.gz IEZKURADAHJPDB-STQMWFEESA-N 1 0 380.279 2.931 20 0 GFADRO C[C@H](CNC(=O)c1nscc1I)[NH+]1CCC(C)CC1 ZINC000906429977 663947545 /nfs/dbraw/zinc/94/75/45/663947545.db2.gz QOOBKTJBMJCOTF-SNVBAGLBSA-N 1 0 393.294 2.598 20 0 GFADRO CC[N@@H+]1CCC[C@@H](CNC(=O)C(F)(F)c2ncccc2Br)C1 ZINC000906448009 663948866 /nfs/dbraw/zinc/94/88/66/663948866.db2.gz JYUCQLDYPZDNES-NSHDSACASA-N 1 0 376.245 2.784 20 0 GFADRO Cc1c(C(=O)N2CCC[C@H]2C[NH+](C)C)nnn1-c1ccccc1Br ZINC000906522521 663955755 /nfs/dbraw/zinc/95/57/55/663955755.db2.gz ADKWAWGPEKEZIS-ZDUSSCGKSA-N 1 0 392.301 2.504 20 0 GFADRO CC1(C)C[NH2+]C[C@H]1NC(=O)C(=O)Nc1cccnc1-c1ccc(Cl)s1 ZINC000906709429 663966211 /nfs/dbraw/zinc/96/62/11/663966211.db2.gz YTJOEIHQAVOAPH-GFCCVEGCSA-N 1 0 378.885 2.516 20 0 GFADRO CC(C)c1cc(Br)ccc1NC(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000906725372 663967342 /nfs/dbraw/zinc/96/73/42/663967342.db2.gz UTXKUGDLHNJVOE-BYCMXARLSA-N 1 0 380.286 2.520 20 0 GFADRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(F)(F)c1ncccc1Br ZINC000906792844 663971540 /nfs/dbraw/zinc/97/15/40/663971540.db2.gz OMUIJQOJWUQLDM-JQWIXIFHSA-N 1 0 376.245 2.735 20 0 GFADRO O=S(=O)(NC[C@@H]1CC[N@@H+](C2CC2)C1)c1c[nH]c2c1cccc2Br ZINC000906832800 663974501 /nfs/dbraw/zinc/97/45/01/663974501.db2.gz CWPMEYGPJFFJTB-NSHDSACASA-N 1 0 398.326 2.693 20 0 GFADRO Cc1cc(NC(=O)C[C@@H](O)C(Cl)(Cl)Cl)n(C2CC[NH+](C)CC2)n1 ZINC000906923898 663982592 /nfs/dbraw/zinc/98/25/92/663982592.db2.gz HUJAAZBQDMCOHQ-LLVKDONJSA-N 1 0 383.707 2.518 20 0 GFADRO C[N@@H+]1CCC[C@H](CNS(=O)(=O)c2c[nH]c3cc(Br)ccc32)C1 ZINC000906932589 663983817 /nfs/dbraw/zinc/98/38/17/663983817.db2.gz FYJPCAOFGYHODE-LLVKDONJSA-N 1 0 386.315 2.551 20 0 GFADRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)c1cccn2ncc(Br)c12 ZINC000907171300 664008872 /nfs/dbraw/zinc/00/88/72/664008872.db2.gz PJMJTLBZEREFEX-GFCCVEGCSA-N 1 0 379.302 2.899 20 0 GFADRO CN(CCC[NH+](C)C)C(=O)c1ccc(Cn2cc(Br)cn2)s1 ZINC000907222274 664013232 /nfs/dbraw/zinc/01/32/32/664013232.db2.gz YYNZFNWQTSDKCM-UHFFFAOYSA-N 1 0 385.331 2.779 20 0 GFADRO C[NH+](C)[C@H]1C[C@@H](CNS(=O)(=O)c2c[nH]c3c2cccc3Br)C1 ZINC000907267114 664017411 /nfs/dbraw/zinc/01/74/11/664017411.db2.gz DEYQRCSLADIMFV-PHIMTYICSA-N 1 0 386.315 2.549 20 0 GFADRO Cc1ccc(C[N@H+]2CC[C@H](CN(C)S(=O)(=O)N3CCC[C@@H](C)C3)C2)s1 ZINC000907345897 664025876 /nfs/dbraw/zinc/02/58/76/664025876.db2.gz LNYUQZQUCIPUDZ-NVXWUHKLSA-N 1 0 385.599 2.787 20 0 GFADRO Cc1ccc(C[N@H+]2CC[C@H](CN(C)S(=O)(=O)c3cccc(N)c3)C2)s1 ZINC000907346491 664026297 /nfs/dbraw/zinc/02/62/97/664026297.db2.gz NRJGUIVLSFUBOR-OAHLLOKOSA-N 1 0 379.551 2.781 20 0 GFADRO CCOC[C@H](C)CS(=O)(=O)N(C)C[C@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000907346435 664026621 /nfs/dbraw/zinc/02/66/21/664026621.db2.gz MJHFIZFNSWVJTI-DOTOQJQBSA-N 1 0 388.599 2.813 20 0 GFADRO Cc1ccc(C[N@H+]2CC[C@H](CN(C)S(=O)(=O)N(C)[C@@H](C)C3CC3)C2)s1 ZINC000907347916 664026820 /nfs/dbraw/zinc/02/68/20/664026820.db2.gz XBUJIIOGRWNCDY-JKSUJKDBSA-N 1 0 385.599 2.785 20 0 GFADRO CN(Cc1ccc(Br)cc1Cl)C(=O)[C@]1(C)C[C@@H](O)C[N@@H+]1C ZINC000907697544 664054172 /nfs/dbraw/zinc/05/41/72/664054172.db2.gz AGLATZJUMJIWBL-DOMZBBRYSA-N 1 0 375.694 2.516 20 0 GFADRO CCn1c(CNC(=O)C23CC[NH+](CC2)C3)nc2cc(Br)ccc21 ZINC000907713245 664055170 /nfs/dbraw/zinc/05/51/70/664055170.db2.gz LHHHZXDSTHYFOV-UHFFFAOYSA-N 1 0 377.286 2.531 20 0 GFADRO C[NH+](C)[C@H]1CCCN(C(=O)c2cnnn2-c2ccccc2Br)CC1 ZINC000907744912 664057947 /nfs/dbraw/zinc/05/79/47/664057947.db2.gz VMIFGHFHJDIUIC-ZDUSSCGKSA-N 1 0 392.301 2.586 20 0 GFADRO COc1ccc(NC(=O)[C@@]23CC[N@H+](C2)CCC3)c(I)c1 ZINC000907764290 664059790 /nfs/dbraw/zinc/05/97/90/664059790.db2.gz XABBHWKEEDLHCW-HNNXBMFYSA-N 1 0 386.233 2.724 20 0 GFADRO CC(C)[NH+]1CCN(CCC(=O)N[C@@H]2C[C@H]2c2cccc(Br)c2)CC1 ZINC000907839442 664064907 /nfs/dbraw/zinc/06/49/07/664064907.db2.gz QYRKFQSKGVOUCD-ZWKOTPCHSA-N 1 0 394.357 2.837 20 0 GFADRO C[NH+]1CCC2(CCN2S(=O)(=O)c2cc(F)c(Br)cc2F)CC1 ZINC000907856307 664066006 /nfs/dbraw/zinc/06/60/06/664066006.db2.gz ROPWAJYMSWHHKS-UHFFFAOYSA-N 1 0 395.269 2.586 20 0 GFADRO CC(C)[NH+]1CCN(CCC(=O)N(CCC(F)(F)F)CC(F)(F)F)CC1 ZINC000907856974 664066395 /nfs/dbraw/zinc/06/63/95/664066395.db2.gz UPBVTHUWKQNMER-UHFFFAOYSA-N 1 0 377.373 2.746 20 0 GFADRO C[NH+]1CCC2(CCN2S(=O)(=O)c2cccc(OC(F)(F)F)c2F)CC1 ZINC000907858402 664066691 /nfs/dbraw/zinc/06/66/91/664066691.db2.gz YDUVLJNKYYPRRV-UHFFFAOYSA-N 1 0 382.379 2.583 20 0 GFADRO O=C(NC1CC([NH+]2CCCCC2)C1)c1cc(Br)cn(C2CC2)c1=O ZINC000907907160 664070190 /nfs/dbraw/zinc/07/01/90/664070190.db2.gz POYSYACNEGKFMX-UHFFFAOYSA-N 1 0 394.313 2.692 20 0 GFADRO C[NH+](C)CCn1nccc1C(=O)N[C@H]1C[C@H](c2ccc(Br)cc2)C1 ZINC000908317464 664098580 /nfs/dbraw/zinc/09/85/80/664098580.db2.gz QIYAGPIECKTDHK-KOMQPUFPSA-N 1 0 391.313 2.883 20 0 GFADRO [NH3+]C1(CNC(=O)C[C@@H]2C(=O)Nc3ccc(Br)cc32)CCCCC1 ZINC000911652567 664251601 /nfs/dbraw/zinc/25/16/01/664251601.db2.gz TUBVCEXMGOUQPM-ZDUSSCGKSA-N 1 0 380.286 2.653 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)c1cc2ccc(Br)cc2c(=O)o1 ZINC000911685362 664252793 /nfs/dbraw/zinc/25/27/93/664252793.db2.gz SVKOQMMERXHJFY-HZMBPMFUSA-N 1 0 379.254 2.897 20 0 GFADRO C[NH2+]C1CCN(C(=O)c2cnn(Cc3ccccc3)c2Br)CC1 ZINC000911786974 664256676 /nfs/dbraw/zinc/25/66/76/664256676.db2.gz MPMAJKPGHBMDOH-UHFFFAOYSA-N 1 0 377.286 2.518 20 0 GFADRO C[C@H]1CCCN(C(=O)c2cc(Br)cnc2Br)[C@H]1C[NH3+] ZINC000911826969 664257483 /nfs/dbraw/zinc/25/74/83/664257483.db2.gz TWYXOQPEYZQGGH-KWQFWETISA-N 1 0 391.107 2.806 20 0 GFADRO Cn1c(C(=O)N2CCC([NH2+]CC3CC3)CC2)cc2cc(Br)cnc21 ZINC000911840312 664258393 /nfs/dbraw/zinc/25/83/93/664258393.db2.gz JBHRMGIPTGDGKO-UHFFFAOYSA-N 1 0 391.313 2.940 20 0 GFADRO Cc1ccc(NC(=O)C2([C@@H](C)[NH3+])CCOCC2)cc1I ZINC000911992731 664265203 /nfs/dbraw/zinc/26/52/03/664265203.db2.gz VEJJJEGORFCKKR-LLVKDONJSA-N 1 0 388.249 2.682 20 0 GFADRO CS[C@H]1CN(c2ccc(-c3nnc(Br)o3)cc2)C[C@H]1[NH+](C)C ZINC000912008440 664265908 /nfs/dbraw/zinc/26/59/08/664265908.db2.gz WRPVYFXVVMPCPA-OLZOCXBDSA-N 1 0 383.315 2.981 20 0 GFADRO O=C(N1CC([NH+]2CCCC2)C1)C1(c2ccc(Br)cc2)CCOCC1 ZINC000912324793 664282086 /nfs/dbraw/zinc/28/20/86/664282086.db2.gz HKRFCHOKPKZPOK-UHFFFAOYSA-N 1 0 393.325 2.804 20 0 GFADRO Cc1nc(Br)sc1C(=O)NC1CC[NH+](C2CCOCC2)CC1 ZINC000912347248 664282746 /nfs/dbraw/zinc/28/27/46/664282746.db2.gz OXGYMRGQETXMHC-UHFFFAOYSA-N 1 0 388.331 2.587 20 0 GFADRO [NH3+]CCn1cc(Br)cc(C(=O)N2CCC[C@H]2c2ccsc2)c1=O ZINC000912397119 664284913 /nfs/dbraw/zinc/28/49/13/664284913.db2.gz UEOYQCJKMIFBOP-AWEZNQCLSA-N 1 0 396.310 2.608 20 0 GFADRO CCN(Cc1ccccc1C)C(=O)c1cc(Br)cn(CC[NH3+])c1=O ZINC000912404180 664285233 /nfs/dbraw/zinc/28/52/33/664285233.db2.gz UGBSLWMSUAHXAR-UHFFFAOYSA-N 1 0 392.297 2.540 20 0 GFADRO [NH3+]CCCn1ccc(C(=O)N2CCC[C@H]2c2cccc(Br)c2)n1 ZINC000912463471 664288226 /nfs/dbraw/zinc/28/82/26/664288226.db2.gz MGGBHPNMCJFBMY-INIZCTEOSA-N 1 0 377.286 2.972 20 0 GFADRO CC[NH+](CC)CCOC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC000912577205 664293568 /nfs/dbraw/zinc/29/35/68/664293568.db2.gz CIXGCPDNTHJZLP-UHFFFAOYSA-N 1 0 388.917 2.623 20 0 GFADRO CC[NH+](CC)CCOC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 ZINC000912577275 664293612 /nfs/dbraw/zinc/29/36/12/664293612.db2.gz FAMHDGZTNPTNDS-UHFFFAOYSA-N 1 0 388.917 2.623 20 0 GFADRO Cc1ccc(C(=O)N2CCC(CO)([NH2+]CC(C)C)CC2)c(Br)c1 ZINC000912586499 664293912 /nfs/dbraw/zinc/29/39/12/664293912.db2.gz CWIKRFAKRMZHMJ-UHFFFAOYSA-N 1 0 383.330 2.970 20 0 GFADRO CC(C)C[NH2+]C1(CO)CCN(C(=O)Cc2sccc2Br)CC1 ZINC000912589615 664294155 /nfs/dbraw/zinc/29/41/55/664294155.db2.gz WWXBARRKEOTAQN-UHFFFAOYSA-N 1 0 389.359 2.652 20 0 GFADRO Cc1ccc2c(c1Br)CN(C(=O)c1ccnn1CC[NH+](C)C)C2 ZINC000912721918 664299528 /nfs/dbraw/zinc/29/95/28/664299528.db2.gz VBRJBGYJAILRDP-UHFFFAOYSA-N 1 0 377.286 2.672 20 0 GFADRO O=C(NC[C@H]1CCC[N@H+](CC2CC2)C1)[C@H](O)c1cccc(Br)c1 ZINC000912765076 664300862 /nfs/dbraw/zinc/30/08/62/664300862.db2.gz RCOHFAUHCHYTLC-RHSMWYFYSA-N 1 0 381.314 2.721 20 0 GFADRO C[C@@H](C[NH+](C)C)[C@H]1CCCCN1C(=O)c1nn2c(c1Br)CCC2 ZINC000912802842 664303088 /nfs/dbraw/zinc/30/30/88/664303088.db2.gz HJRUSNWAFWVOEW-QWHCGFSZSA-N 1 0 383.334 2.784 20 0 GFADRO CC[NH+](CC)Cc1ccc(C(=O)Nc2n[nH]cc2I)o1 ZINC000912889309 664308788 /nfs/dbraw/zinc/30/87/88/664308788.db2.gz XPUATDFHXKRCQP-UHFFFAOYSA-N 1 0 388.209 2.701 20 0 GFADRO O=C(c1nc(Br)ccc1Br)N1CC[C@H]([NH+]2CCC2)C1 ZINC000912909283 664309557 /nfs/dbraw/zinc/30/95/57/664309557.db2.gz FKFKWEQYWIDZOT-VIFPVBQESA-N 1 0 389.091 2.527 20 0 GFADRO CC1([NH+]2CCCC2)CCN(C(=O)[C@H](O)c2cccc(Br)c2)CC1 ZINC000913647299 664347656 /nfs/dbraw/zinc/34/76/56/664347656.db2.gz KHZVTXAFQQRZFM-MRXNPFEDSA-N 1 0 381.314 2.959 20 0 GFADRO CC[C@H](Cc1ccccc1Br)C(=O)N1CCC(O)(C[NH+](C)C)CC1 ZINC000913679320 664349277 /nfs/dbraw/zinc/34/92/77/664349277.db2.gz WTWAWHNLYJAPLQ-OAHLLOKOSA-N 1 0 397.357 2.933 20 0 GFADRO O=C(NCCC[NH+]1CCCCC1)N1CCC[C@@H]1c1ncc(Br)cn1 ZINC000913936210 664367054 /nfs/dbraw/zinc/36/70/54/664367054.db2.gz IUVVCRBWKGMFSO-OAHLLOKOSA-N 1 0 396.333 2.962 20 0 GFADRO O=S(=O)(C[C@@]12CC[N@H+](C1)CCC2)NCc1nc2cc(Cl)ccc2s1 ZINC000913970912 664369645 /nfs/dbraw/zinc/36/96/45/664369645.db2.gz QMNPFBAYNACUDI-INIZCTEOSA-N 1 0 385.942 2.855 20 0 GFADRO C[C@H](CNC(=O)N(C)Cc1ncc(Br)cn1)[N@@H+]1CCC[C@@H](C)C1 ZINC000914075257 664374570 /nfs/dbraw/zinc/37/45/70/664374570.db2.gz VNWOGZTYPARJEU-CHWSQXEVSA-N 1 0 384.322 2.501 20 0 GFADRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)N(C)Cc2ncc(Br)cn2)C1 ZINC000914079257 664375186 /nfs/dbraw/zinc/37/51/86/664375186.db2.gz ZHYAALDIWVGYHZ-KBPBESRZSA-N 1 0 398.349 2.749 20 0 GFADRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)S(=O)(=O)Cc1ccsc1Br ZINC000914178393 664383359 /nfs/dbraw/zinc/38/33/59/664383359.db2.gz KQZOXVKBFLBZAM-CMPLNLGQSA-N 1 0 381.361 2.612 20 0 GFADRO C[C@@H](CNC(=O)N(C)Cc1ncc(Br)cn1)C[NH+]1CCCCC1 ZINC000914277627 664394143 /nfs/dbraw/zinc/39/41/43/664394143.db2.gz KEUISCFTSMKDIF-ZDUSSCGKSA-N 1 0 384.322 2.503 20 0 GFADRO CC[N@@H+]1CCC[C@@H](NC(=O)N2CCC[C@@H]2c2ncc(Br)cn2)C1 ZINC000914316080 664398333 /nfs/dbraw/zinc/39/83/33/664398333.db2.gz IMGGLPOANYLMOI-ZIAGYGMSSA-N 1 0 382.306 2.570 20 0 GFADRO CC[NH+](CC)C[C@H](C)NC(=O)N1CCC[C@H]1c1ncc(Br)cn1 ZINC000914411538 664408032 /nfs/dbraw/zinc/40/80/32/664408032.db2.gz JZXZGDKGLXRHOV-JSGCOSHPSA-N 1 0 384.322 2.816 20 0 GFADRO CN(C)S(=O)(=O)c1cc(C(=O)OCC[C@@H]2CCCC[N@@H+]2C)ccc1Cl ZINC000914429373 664409648 /nfs/dbraw/zinc/40/96/48/664409648.db2.gz QMGXHTDUYIGGOA-AWEZNQCLSA-N 1 0 388.917 2.622 20 0 GFADRO O=S(=O)(NC1CC[NH+](CCc2ccccc2)CC1)c1cccnc1Cl ZINC000915187628 664423095 /nfs/dbraw/zinc/42/30/95/664423095.db2.gz DVVJLDVJRLBZDJ-UHFFFAOYSA-N 1 0 379.913 2.720 20 0 GFADRO COc1ccc([C@@H](O)C[NH2+]C[C@@H](O)COc2ccc(Br)cc2)cc1 ZINC000915226353 664424614 /nfs/dbraw/zinc/42/46/14/664424614.db2.gz KIMALPFUSWNNON-QAPCUYQASA-N 1 0 396.281 2.521 20 0 GFADRO O=S(=O)(/C=C\c1ccc(Cl)cc1)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000915354548 664428878 /nfs/dbraw/zinc/42/88/78/664428878.db2.gz IJDYQBDWSHHFCQ-PIJNTSGSSA-N 1 0 384.929 2.827 20 0 GFADRO O=C(NCc1cnc(Cl)cn1)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000915459903 664431519 /nfs/dbraw/zinc/43/15/19/664431519.db2.gz WXLQXIIARJKADE-CYBMUJFWSA-N 1 0 379.917 2.903 20 0 GFADRO O=C(NC1CC[NH+](C[C@H]2CCCO2)CC1)c1cc(F)ccc1Br ZINC000915622574 664435594 /nfs/dbraw/zinc/43/55/94/664435594.db2.gz RYKTZUVASQPNGA-CQSZACIVSA-N 1 0 385.277 2.961 20 0 GFADRO O=C(Cc1ccc(Br)cc1)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000915620825 664435645 /nfs/dbraw/zinc/43/56/45/664435645.db2.gz AHYFTKPFGGTIQH-QGZVFWFLSA-N 1 0 381.314 2.751 20 0 GFADRO CC(C)[C@H](C[NH+](C)C)NC(=O)CSc1nncn1-c1cccc(Cl)c1 ZINC000915623575 664435960 /nfs/dbraw/zinc/43/59/60/664435960.db2.gz KJYLFYHJIOXLAO-HNNXBMFYSA-N 1 0 381.933 2.715 20 0 GFADRO C[N@H+](CCCCNS(=O)(=O)Cc1ccsc1Br)C1CC1 ZINC000916199804 664454516 /nfs/dbraw/zinc/45/45/16/664454516.db2.gz NLRASXXCLWZCBO-UHFFFAOYSA-N 1 0 381.361 2.804 20 0 GFADRO CC[C@@H](C)[N@H+](C)CCNC(=O)N1CCC[C@H]1c1ncc(Br)cn1 ZINC000916359574 664458299 /nfs/dbraw/zinc/45/82/99/664458299.db2.gz BJGDLKPKPCQDQT-OCCSQVGLSA-N 1 0 384.322 2.816 20 0 GFADRO O[C@@H](C[NH2+][C@@H]1CCCN(c2ncccn2)C1)c1cccc(Br)c1 ZINC000917009664 664475133 /nfs/dbraw/zinc/47/51/33/664475133.db2.gz HXFMERUQEBVQDX-CVEARBPZSA-N 1 0 377.286 2.531 20 0 GFADRO CC[N@@H+]1CCCC[C@H]1CNC(=O)N1CCC[C@H]1c1ncc(Br)cn1 ZINC000917897867 664492257 /nfs/dbraw/zinc/49/22/57/664492257.db2.gz FEEYGYRKAWRSSJ-GJZGRUSLSA-N 1 0 396.333 2.960 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)NC[C@@H](C)[NH+]1CCCCC1 ZINC000918465294 664499509 /nfs/dbraw/zinc/49/95/09/664499509.db2.gz MKWZRKVAMUYUBJ-CQSZACIVSA-N 1 0 396.329 2.995 20 0 GFADRO O=C(Cc1ccc(F)c(Br)c1)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000918697480 664502911 /nfs/dbraw/zinc/50/29/11/664502911.db2.gz POXNMEAHXRNSBB-OAHLLOKOSA-N 1 0 399.304 2.890 20 0 GFADRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)Nc1cccc(C2SCCS2)c1 ZINC000921128043 664537798 /nfs/dbraw/zinc/53/77/98/664537798.db2.gz JRGYJAYPUWQYAU-CYBMUJFWSA-N 1 0 381.567 2.950 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)N2CCC[C@@H]2c2ncc(Br)cn2)C1 ZINC000921331150 664541821 /nfs/dbraw/zinc/54/18/21/664541821.db2.gz XSXOUDSOCYZRGG-RBSFLKMASA-N 1 0 396.333 2.958 20 0 GFADRO C[NH+](C)CC[C@H](NS(=O)(=O)CCc1ccc(Cl)cc1)c1cccnc1 ZINC000921480109 664550148 /nfs/dbraw/zinc/55/01/48/664550148.db2.gz ZGXORQMLZAGLDG-SFHVURJKSA-N 1 0 381.929 2.890 20 0 GFADRO O=S1(=O)CC[C@H](C[NH2+]Cc2cc3c(cc(F)cc3Br)[nH]2)C1 ZINC000921501613 664550802 /nfs/dbraw/zinc/55/08/02/664550802.db2.gz LNVNJCSMCZGSKX-SECBINFHSA-N 1 0 375.263 2.594 20 0 GFADRO CCn1c(C[NH2+]C[C@H](O)CC(C)C)nc(Br)c1Br ZINC000921621899 664558165 /nfs/dbraw/zinc/55/81/65/664558165.db2.gz AVAYOIXZHJWUFA-SECBINFHSA-N 1 0 383.128 2.925 20 0 GFADRO Cc1ccc([C@@H](C[NH2+]Cc2nc(Br)c[nH]2)N2CCOCC2)s1 ZINC000921703492 664562301 /nfs/dbraw/zinc/56/23/01/664562301.db2.gz YWQOHYNLXMXOMT-GFCCVEGCSA-N 1 0 385.331 2.705 20 0 GFADRO O=S(=O)(CCC[NH+]1CCCC1)N1CCC(c2nc3c(s2)CCC3)CC1 ZINC000921705456 664562580 /nfs/dbraw/zinc/56/25/80/664562580.db2.gz NIROQIKKYIWPNS-UHFFFAOYSA-N 1 0 383.583 2.627 20 0 GFADRO CN(Cc1ccccc1Br)C(=O)CC[NH2+]Cc1cc[nH]c(=O)c1 ZINC000921724243 664564544 /nfs/dbraw/zinc/56/45/44/664564544.db2.gz OVAOCDBLQJJTTA-UHFFFAOYSA-N 1 0 378.270 2.688 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CC[NH2+]Cc1cnc2n1CCOC2 ZINC000921739334 664565863 /nfs/dbraw/zinc/56/58/63/664565863.db2.gz PAXUALINKQFXMF-UHFFFAOYSA-N 1 0 393.285 2.603 20 0 GFADRO O=C(NCC[NH2+]Cc1ccnn1C1CCC1)c1cccc(Br)c1 ZINC000921739661 664565913 /nfs/dbraw/zinc/56/59/13/664565913.db2.gz YGZYDCKTGUSGRX-UHFFFAOYSA-N 1 0 377.286 2.890 20 0 GFADRO CCn1cnnc1CC[NH2+]Cc1cc(C)c(I)cc1C ZINC000921751949 664566675 /nfs/dbraw/zinc/56/66/75/664566675.db2.gz MSKRUXQZMISILD-UHFFFAOYSA-N 1 0 384.265 2.852 20 0 GFADRO CCn1c(C[NH2+][C@@H](CCO)C2CC2)nc(Br)c1Br ZINC000921769286 664567296 /nfs/dbraw/zinc/56/72/96/664567296.db2.gz BDHPCKNDWJKVSO-VIFPVBQESA-N 1 0 381.112 2.679 20 0 GFADRO CCn1c(C[NH2+]C[C@@H](C)C[C@@H](C)O)nc(Br)c1Br ZINC000921769405 664567511 /nfs/dbraw/zinc/56/75/11/664567511.db2.gz JPCPQIWWFFHQNM-DTWKUNHWSA-N 1 0 383.128 2.925 20 0 GFADRO O=S1(=O)CCC[C@@H]1C[NH2+]Cc1cc2c(cc(F)cc2Br)[nH]1 ZINC000921860482 664573686 /nfs/dbraw/zinc/57/36/86/664573686.db2.gz HGLJHWOIEXTYSP-LLVKDONJSA-N 1 0 375.263 2.736 20 0 GFADRO CCn1c(C[NH2+]CC[C@@H]2CCOC2)nc(Br)c1Br ZINC000921992961 664580552 /nfs/dbraw/zinc/58/05/52/664580552.db2.gz UIVKHNUQSZZEDO-SECBINFHSA-N 1 0 381.112 2.944 20 0 GFADRO FC(F)(F)c1cn2c(n1)CC[C@H](C[NH2+]Cc1nc(Br)c[nH]1)C2 ZINC000922023306 664581546 /nfs/dbraw/zinc/58/15/46/664581546.db2.gz CDBMADHJNYFIME-MRVPVSSYSA-N 1 0 378.196 2.740 20 0 GFADRO C[N@H+](CCNC(=O)c1sc2cc(Cl)ccc2c1Cl)CCOCCO ZINC000922128809 664587092 /nfs/dbraw/zinc/58/70/92/664587092.db2.gz ZFSRRZWTEVOZKS-UHFFFAOYSA-N 1 0 391.320 2.879 20 0 GFADRO CCn1c(CNC[C@@H](C)C[NH+](C)C)nc(Br)c1Br ZINC000922138957 664587246 /nfs/dbraw/zinc/58/72/46/664587246.db2.gz FKQDMDUENWTJIJ-SECBINFHSA-N 1 0 382.144 2.715 20 0 GFADRO Cc1ccc(C[C@@H](CO)C[NH2+]Cc2cnn(CCF)c2)cc1Br ZINC000922162572 664588412 /nfs/dbraw/zinc/58/84/12/664588412.db2.gz PJLBYOMYUTXMIW-OAHLLOKOSA-N 1 0 384.293 2.864 20 0 GFADRO Cn1nccc1[C@@H]1[C@@H](C[NH2+]Cc2nc(Br)c[nH]2)CCCN1C1CC1 ZINC000922215439 664590288 /nfs/dbraw/zinc/59/02/88/664590288.db2.gz CGXABLDTJQESEE-PXAZEXFGSA-N 1 0 393.333 2.611 20 0 GFADRO CCn1c(Br)c(Br)nc1C[NH2+]CC[C@H](O)C(F)F ZINC000922303984 664594112 /nfs/dbraw/zinc/59/41/12/664594112.db2.gz HFVPNVSJCCLDJG-LURJTMIESA-N 1 0 391.054 2.534 20 0 GFADRO O=C1Nc2ccc(Br)cc2CC[C@@H]1[NH2+]Cc1cnn(CCF)c1 ZINC000922336369 664595353 /nfs/dbraw/zinc/59/53/53/664595353.db2.gz WXOARYDZBYJCPW-HNNXBMFYSA-N 1 0 381.249 2.658 20 0 GFADRO COc1ccc(C[NH2+]CC2(C3(O)CCOCC3)CC2)c(Br)c1O ZINC000922594867 664607901 /nfs/dbraw/zinc/60/79/01/664607901.db2.gz GKMFPGHQUWJQJH-UHFFFAOYSA-N 1 0 386.286 2.575 20 0 GFADRO CC(C)O[C@@]1(C[NH2+]Cc2cn(-c3ccccc3Br)nn2)CCOC1 ZINC000922609718 664608239 /nfs/dbraw/zinc/60/82/39/664608239.db2.gz OZLGJGZZXHPFQT-QGZVFWFLSA-N 1 0 395.301 2.704 20 0 GFADRO OC1(C[NH2+]Cc2nc(Cl)ccc2Br)CCC2(CC1)OCCO2 ZINC000922621016 664608652 /nfs/dbraw/zinc/60/86/52/664608652.db2.gz FTASLMIVLDJYET-UHFFFAOYSA-N 1 0 391.693 2.635 20 0 GFADRO COc1nsc(C[NH2+]CC[C@H](N(C)C)C(F)(F)F)c1Br ZINC000922750887 664613239 /nfs/dbraw/zinc/61/32/39/664613239.db2.gz HJPSVIWQIFUNSU-QMMMGPOBSA-N 1 0 376.242 2.886 20 0 GFADRO O=C(c1ccoc1)N1CCC([NH2+]CC2(n3cc(Br)cn3)CC2)CC1 ZINC000922802470 664614842 /nfs/dbraw/zinc/61/48/42/664614842.db2.gz LPZMNCAHZFCHKP-UHFFFAOYSA-N 1 0 393.285 2.622 20 0 GFADRO Fc1cc(C[NH2+]CC2(n3cc(Br)cn3)CC2)ccc1-n1cncn1 ZINC000922801596 664614904 /nfs/dbraw/zinc/61/49/04/664614904.db2.gz CEMKZWVPMHIBPT-UHFFFAOYSA-N 1 0 391.248 2.644 20 0 GFADRO CC[N@@H+]1CC[C@H](NC(=O)N2CCCC[C@H]2c2ncc(Br)cn2)C1 ZINC000922907061 664618191 /nfs/dbraw/zinc/61/81/91/664618191.db2.gz HAGBOGUWQMTVHR-KBPBESRZSA-N 1 0 382.306 2.570 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+]CCO[C@H]1CCOC1 ZINC000922937823 664619410 /nfs/dbraw/zinc/61/94/10/664619410.db2.gz BKUHKKVQGWRPBZ-KRWDZBQOSA-N 1 0 380.286 2.838 20 0 GFADRO Cn1nccc1[C@@H](O)C[NH2+]Cc1cc(Br)ccc1OC(F)F ZINC000922974542 664620345 /nfs/dbraw/zinc/62/03/45/664620345.db2.gz XFWYXADTYLGGNR-LBPRGKRZSA-N 1 0 376.201 2.607 20 0 GFADRO COc1cc(Br)c(C(=O)N2[C@@H]3CC[C@H]2C[N@H+](C)CC3)cc1OC ZINC000923265732 664626921 /nfs/dbraw/zinc/62/69/21/664626921.db2.gz LQKYRLQNVJXSAA-NEPJUHHUSA-N 1 0 383.286 2.775 20 0 GFADRO O[C@@H](COc1cc(Cl)ccc1Cl)CN1CC[NH2+]C[C@H]1c1cccnc1 ZINC000923349870 664628807 /nfs/dbraw/zinc/62/88/07/664628807.db2.gz XPVUIARZXUBRBV-WBVHZDCISA-N 1 0 382.291 2.775 20 0 GFADRO CC1([NH3+])CCN(C[C@H](O)COc2ccc(Cl)cc2Br)CC1 ZINC000923346230 664628815 /nfs/dbraw/zinc/62/88/15/664628815.db2.gz OIVCHYGGIZUPQD-LBPRGKRZSA-N 1 0 377.710 2.655 20 0 GFADRO Brc1ccc2[nH]c3c(c2c1)CN(C[C@H]1CC2(C[NH2+]C2)CO1)CC3 ZINC000923392417 664629423 /nfs/dbraw/zinc/62/94/23/664629423.db2.gz RSMWEKGSSZXIPC-CYBMUJFWSA-N 1 0 376.298 2.667 20 0 GFADRO C[NH+](C)CCCC1CCN(C(=O)NCc2cnc(Br)cn2)CC1 ZINC000923533719 664632996 /nfs/dbraw/zinc/63/29/96/664632996.db2.gz JWTNJTZCZZOYQG-UHFFFAOYSA-N 1 0 384.322 2.503 20 0 GFADRO O=S(=O)(c1cnc(-c2ccccc2)s1)N1CCC([NH2+]CC2CC2)CC1 ZINC000923571814 664634092 /nfs/dbraw/zinc/63/40/92/664634092.db2.gz FPQQXLLSVFRLAG-UHFFFAOYSA-N 1 0 377.535 2.963 20 0 GFADRO [NH3+][C@H]1CN(S(=O)(=O)c2cnc(-c3ccccc3)s2)CC[C@@H]1C(F)(F)F ZINC000923677227 664635442 /nfs/dbraw/zinc/63/54/42/664635442.db2.gz GHKFKWRAZAUNMF-RYUDHWBXSA-N 1 0 391.440 2.710 20 0 GFADRO [NH3+]C[C@@H]1CC2(CO1)CCN(S(=O)(=O)c1ccc(Cl)c(F)c1Cl)CC2 ZINC000923687908 664635827 /nfs/dbraw/zinc/63/58/27/664635827.db2.gz QGQJRGFQGSNZAJ-JTQLQIEISA-N 1 0 397.299 2.651 20 0 GFADRO COc1cc(S(=O)(=O)N2CCC([C@H]3CCC[NH2+]CC3)CC2)cnc1Cl ZINC000923701913 664636464 /nfs/dbraw/zinc/63/64/64/664636464.db2.gz KPBQRRDXNZPHMO-ZDUSSCGKSA-N 1 0 387.933 2.534 20 0 GFADRO [NH3+][C@@H]1CC[C@H](CNS(=O)(=O)Cc2cccc(Cl)c2Br)C1 ZINC000923738789 664637237 /nfs/dbraw/zinc/63/72/37/664637237.db2.gz IINZBRHIHBYYEG-GXSJLCMTSA-N 1 0 381.723 2.649 20 0 GFADRO C[C@@]1(CS(=O)(=O)N2C[C@@H](CC[NH3+])Cc3ccccc32)CC1(Cl)Cl ZINC000923750808 664637729 /nfs/dbraw/zinc/63/77/29/664637729.db2.gz UXZWOKZLDVKZAW-WFASDCNBSA-N 1 0 377.337 2.928 20 0 GFADRO C[C@@H](OC(=O)COC1CC[NH+](C)CC1)C(=O)c1ccc(Br)cc1 ZINC000923791914 664637947 /nfs/dbraw/zinc/63/79/47/664637947.db2.gz IGOIQQGSUJIVMT-GFCCVEGCSA-N 1 0 384.270 2.674 20 0 GFADRO C[C@H](C[C@@H]1CCC(=O)N1)[NH2+]Cc1nnc2c(Cl)cc(C(F)(F)F)cn12 ZINC000924623887 664659093 /nfs/dbraw/zinc/65/90/93/664659093.db2.gz OTQCJMQUOVXONA-SCZZXKLOSA-N 1 0 375.782 2.548 20 0 GFADRO CCNC(=O)COc1ccc(C[NH2+][C@@H](C)C2(Br)CC2)cc1OC ZINC000924688934 664659615 /nfs/dbraw/zinc/65/96/15/664659615.db2.gz QSOOGWGEDJAVDL-LBPRGKRZSA-N 1 0 385.302 2.616 20 0 GFADRO C[NH+](C)C[C@@H]1NC(=O)N([C@H](c2cc(F)cc(Br)c2)C2CC2)C1=O ZINC000924729347 664660393 /nfs/dbraw/zinc/66/03/93/664660393.db2.gz MNWRRKQASIXIMV-KBPBESRZSA-N 1 0 384.249 2.521 20 0 GFADRO C[C@H](C[C@@H]1CCC(=O)N1)[NH2+]C[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000924772451 664661395 /nfs/dbraw/zinc/66/13/95/664661395.db2.gz BMPOICKOQWLMDO-YCPHGPKFSA-N 1 0 380.330 2.922 20 0 GFADRO COc1cc([C@@H](C)[NH2+]CCCNC(=O)c2cccc(Br)c2)on1 ZINC000924889622 664663674 /nfs/dbraw/zinc/66/36/74/664663674.db2.gz DNOBPKPHGBEYQF-LLVKDONJSA-N 1 0 382.258 2.916 20 0 GFADRO C[C@@H]([NH2+][C@@H](C)c1cccc(S(=O)(=O)N(C)C)c1)C1(Br)CC1 ZINC000924925679 664664062 /nfs/dbraw/zinc/66/40/62/664664062.db2.gz VIVZBJUADXWXHT-NWDGAFQWSA-N 1 0 375.332 2.904 20 0 GFADRO O=C(N[C@H](CCO)c1ccc(Cl)cc1)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000925164715 664667702 /nfs/dbraw/zinc/66/77/02/664667702.db2.gz PWBBDBCXLVLBPP-IKGGRYGDSA-N 1 0 383.945 2.643 20 0 GFADRO CC(C)(CO)[C@H](NC(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12)c1cccs1 ZINC000925175345 664667986 /nfs/dbraw/zinc/66/79/86/664667986.db2.gz VHBJCOMVFYSVDW-IIAWOOMASA-N 1 0 383.583 2.687 20 0 GFADRO CC1(C)CNC(=O)[C@@H]1[NH2+]C1CCN(Cc2ccc(Br)cc2)CC1 ZINC000925278132 664669646 /nfs/dbraw/zinc/66/96/46/664669646.db2.gz VPVNJSROSWMPPG-INIZCTEOSA-N 1 0 380.330 2.528 20 0 GFADRO C[C@H]([NH2+]CCCN1CCCS1(=O)=O)c1ncc(C(F)(F)F)cc1Cl ZINC000925359433 664671083 /nfs/dbraw/zinc/67/10/83/664671083.db2.gz NKIYDCPBPXKISJ-JTQLQIEISA-N 1 0 385.839 2.830 20 0 GFADRO O=C1[C@H]([NH2+][C@H]2CCCc3ncc(Br)cc32)CCN1CC(F)(F)F ZINC000925390731 664671645 /nfs/dbraw/zinc/67/16/45/664671645.db2.gz SOGJPPPBFZIAPM-QWHCGFSZSA-N 1 0 392.219 2.974 20 0 GFADRO Cc1cc(S(=O)(=O)NCC[NH2+][C@H](C)c2cnn(C3CCC3)c2)c(C)s1 ZINC000925581082 664673297 /nfs/dbraw/zinc/67/32/97/664673297.db2.gz WBYRZNODMDHWDW-CYBMUJFWSA-N 1 0 382.555 2.916 20 0 GFADRO O=S1(=O)CCNC[C@H]1CC[NH2+][C@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000925790958 664674677 /nfs/dbraw/zinc/67/46/77/664674677.db2.gz CXEHRGKGMTXAFS-CVEARBPZSA-N 1 0 376.444 2.523 20 0 GFADRO CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]C[C@]2(C(F)(F)F)CCCN2)cc1 ZINC000925856039 664676177 /nfs/dbraw/zinc/67/61/77/664676177.db2.gz JCVLMHQXIZWORV-DOMZBBRYSA-N 1 0 379.448 2.783 20 0 GFADRO CC(C)S(=O)(=O)N1CC[C@@H]([NH2+][C@@H]2COCc3cccc(Cl)c32)[C@H](C)C1 ZINC000925884824 664676661 /nfs/dbraw/zinc/67/66/61/664676661.db2.gz MTSTZIHPDKJLHA-KBRIMQKVSA-N 1 0 386.945 2.950 20 0 GFADRO [NH3+]CC[C@H]1CCN(C(=O)Nc2cnn(-c3ccccc3Br)c2)C1 ZINC000926075464 664680881 /nfs/dbraw/zinc/68/08/81/664680881.db2.gz CGUINOOYBMHGMG-LBPRGKRZSA-N 1 0 378.274 2.837 20 0 GFADRO Cc1cc(NC(=O)N2CCC3(CO[C@@H](C[NH3+])C3)CC2)cnc1Br ZINC000926088899 664681420 /nfs/dbraw/zinc/68/14/20/664681420.db2.gz AWNGXTDQMCGDKH-CYBMUJFWSA-N 1 0 383.290 2.514 20 0 GFADRO COC(=O)c1c(Br)ccc(NC(=O)NC[C@@H]2C[NH2+]C[C@H]2C)c1C ZINC000926104680 664681813 /nfs/dbraw/zinc/68/18/13/664681813.db2.gz NTRHFCWSFIOQBV-KOLCDFICSA-N 1 0 384.274 2.521 20 0 GFADRO [NH3+][C@@]1(CO)CCCN(C(=O)Nc2ccc(OCC(F)(F)F)c(Cl)c2)C1 ZINC000926109781 664681968 /nfs/dbraw/zinc/68/19/68/664681968.db2.gz MHKZGRXJEHVDJN-AWEZNQCLSA-N 1 0 381.782 2.599 20 0 GFADRO C[NH2+]Cc1ccccc1NC(=O)NCC1(n2cc(Br)cn2)CC1 ZINC000926155983 664683235 /nfs/dbraw/zinc/68/32/35/664683235.db2.gz NCBQXGHVQSNBMM-UHFFFAOYSA-N 1 0 378.274 2.676 20 0 GFADRO Cc1ncc(C(=O)N[C@@H]2C[C@@]3(C[N@@H+](C)[C@@H]3C(C)C)C[C@H]2O)c(Cl)c1Cl ZINC000926170952 664683807 /nfs/dbraw/zinc/68/38/07/664683807.db2.gz SZKVJJZOGUANFC-FAELENHSSA-N 1 0 386.323 2.906 20 0 GFADRO CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)Cc1ccccc1Br)C2 ZINC000926175331 664683962 /nfs/dbraw/zinc/68/39/62/664683962.db2.gz WZAZZCXMMZAWLU-RWQQGDIJSA-N 1 0 395.341 2.588 20 0 GFADRO CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NC(=O)c3cc(Br)co3)C2)[C@H]1C(C)C ZINC000926233766 664684909 /nfs/dbraw/zinc/68/49/09/664684909.db2.gz DXEONRRVOMYKKX-GKLJAUDBSA-N 1 0 385.302 2.642 20 0 GFADRO COCCS(=O)(=O)c1ccc(C[NH2+][C@H](C)C2(Br)CC2)cc1 ZINC000926281045 664686056 /nfs/dbraw/zinc/68/60/56/664686056.db2.gz JGAWACQWENZMBP-GFCCVEGCSA-N 1 0 376.316 2.512 20 0 GFADRO OC[C@@H](C[NH2+][C@H]1CCOC12CCOCC2)Cc1cccc(Br)c1 ZINC000926282753 664686229 /nfs/dbraw/zinc/68/62/29/664686229.db2.gz DQPALBCFBGMTPS-WBVHZDCISA-N 1 0 384.314 2.528 20 0 GFADRO Brc1cccc(N2CC[C@H]([NH2+][C@H]3CCOC34CCOCC4)C2)c1 ZINC000926307361 664687520 /nfs/dbraw/zinc/68/75/20/664687520.db2.gz OSDKIJPUWQPFKO-RDJZCZTQSA-N 1 0 381.314 2.956 20 0 GFADRO C[C@@H]([NH2+][C@@H](C)c1ccc(Br)cn1)C1CCN(S(C)(=O)=O)CC1 ZINC000926335961 664688014 /nfs/dbraw/zinc/68/80/14/664688014.db2.gz DFSCUQOVUNJMPD-NEPJUHHUSA-N 1 0 390.347 2.555 20 0 GFADRO C[C@@H]([NH2+]CCNS(=O)(=O)c1cccc(Cl)c1Cl)c1cc[nH]c(=O)c1 ZINC000926409495 664689548 /nfs/dbraw/zinc/68/95/48/664689548.db2.gz KSOBPQDHZOPFEJ-SNVBAGLBSA-N 1 0 390.292 2.723 20 0 GFADRO COc1cc([C@H](C)[NH2+]C[C@H](CO)Cc2ccc(OC)c(Br)c2)on1 ZINC000926536917 664691776 /nfs/dbraw/zinc/69/17/76/664691776.db2.gz CKAWEVMSUPEJRV-WCQYABFASA-N 1 0 399.285 2.956 20 0 GFADRO CC1(C)CNC(=O)[C@H]1[NH2+]C1CCN(Cc2cccc(Br)c2)CC1 ZINC000926601013 664693529 /nfs/dbraw/zinc/69/35/29/664693529.db2.gz ZEYFXXVHCLCGMZ-MRXNPFEDSA-N 1 0 380.330 2.528 20 0 GFADRO CNS(=O)(=O)c1ccc(CC[NH2+][C@H](C)c2cccc(Br)n2)cc1 ZINC000926809291 664696659 /nfs/dbraw/zinc/69/66/59/664696659.db2.gz XZXHXRQMXCHVMS-GFCCVEGCSA-N 1 0 398.326 2.646 20 0 GFADRO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]C[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000926947898 664699303 /nfs/dbraw/zinc/69/93/03/664699303.db2.gz UEDUIYIKGKGCSK-MPTQWLOMSA-N 1 0 383.286 2.560 20 0 GFADRO C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]C[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000926945322 664699404 /nfs/dbraw/zinc/69/94/04/664699404.db2.gz NNOBIIIWQQJHDK-VZAMPYOESA-N 1 0 383.286 2.560 20 0 GFADRO C[C@@H]([NH2+]CC1(n2cc(Br)cn2)CC1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000927006519 664702039 /nfs/dbraw/zinc/70/20/39/664702039.db2.gz UAYZYNIDAQORLC-GFCCVEGCSA-N 1 0 399.333 2.980 20 0 GFADRO CN1CC[C@H]([NH2+]CCO[C@@H]2CCOC2)C[C@H]1c1ccc(Br)cc1 ZINC000927082331 664703207 /nfs/dbraw/zinc/70/32/07/664703207.db2.gz DSXFXUUBBWSTJM-KSZLIROESA-N 1 0 383.330 2.980 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)C(=O)NCC2(n3cc(Br)cn3)CC2)[C@@H](C)C1 ZINC000927107843 664704020 /nfs/dbraw/zinc/70/40/20/664704020.db2.gz LVRFKUNAJCCCIJ-ZFWWWQNUSA-N 1 0 398.349 2.506 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)C(=O)NCC2(n3cc(Br)cn3)CC2)C[C@H]1C ZINC000927110767 664704143 /nfs/dbraw/zinc/70/41/43/664704143.db2.gz VCMGMVBSDQDHMX-HIFRSBDPSA-N 1 0 398.349 2.649 20 0 GFADRO Cn1nnc2c1C[C@@H]([NH2+][C@@H](c1ccc(Br)cc1)c1cncnc1)CC2 ZINC000927141412 664705154 /nfs/dbraw/zinc/70/51/54/664705154.db2.gz AHVQLUFJYLBSRJ-YJBOKZPZSA-N 1 0 399.296 2.604 20 0 GFADRO O=C(c1cnn2cccc(Br)c12)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000927774196 664715744 /nfs/dbraw/zinc/71/57/44/664715744.db2.gz KLLHOBUKYBPQEN-CQSZACIVSA-N 1 0 391.313 2.949 20 0 GFADRO Cc1c(NC(=O)C(=O)N[C@@H](C)[C@H](C)[NH3+])cc(Br)cc1C(F)(F)F ZINC000927800454 664716004 /nfs/dbraw/zinc/71/60/04/664716004.db2.gz ZTVNNCIHPNYJTF-YUMQZZPRSA-N 1 0 396.207 2.567 20 0 GFADRO Cc1c(NC(=O)C(=O)N[C@@H](C)[C@@H](C)[NH3+])cc(Br)cc1C(F)(F)F ZINC000927800453 664716019 /nfs/dbraw/zinc/71/60/19/664716019.db2.gz ZTVNNCIHPNYJTF-SFYZADRCSA-N 1 0 396.207 2.567 20 0 GFADRO Cc1c(NC(=O)C(=O)NC(C)(C)C[NH3+])cc(Br)cc1C(F)(F)F ZINC000927793785 664716024 /nfs/dbraw/zinc/71/60/24/664716024.db2.gz XJXBNOYGUFHDJH-UHFFFAOYSA-N 1 0 396.207 2.568 20 0 GFADRO C[NH2+]CCN(C(=O)C(=O)Nc1cc(F)c(Br)c(Cl)c1)C(C)C ZINC000927865685 664716940 /nfs/dbraw/zinc/71/69/40/664716940.db2.gz YICLAVPTMWLNIB-UHFFFAOYSA-N 1 0 394.672 2.637 20 0 GFADRO [NH3+][C@@H]1CC[C@H](CNC(=O)C(=O)Nc2cccnc2-c2ccc(Cl)s2)C1 ZINC000927929875 664718111 /nfs/dbraw/zinc/71/81/11/664718111.db2.gz OUNOYPLEJRQKCX-WDEREUQCSA-N 1 0 378.885 2.646 20 0 GFADRO Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000928081529 664722150 /nfs/dbraw/zinc/72/21/50/664722150.db2.gz OSFGVPCFTRZMMY-MNOVXSKESA-N 1 0 396.866 2.560 20 0 GFADRO O=C(Cc1cscc1Br)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000928084348 664722259 /nfs/dbraw/zinc/72/22/59/664722259.db2.gz WSRHFVKHUALSLB-STQMWFEESA-N 1 0 375.357 2.749 20 0 GFADRO C[C@@H]1[C@H](NC(=O)CCc2nc(-c3cc(Br)cs3)no2)CC[N@@H+]1C ZINC000928443847 664732499 /nfs/dbraw/zinc/73/24/99/664732499.db2.gz HEWUVTJTQPRNLK-MWLCHTKSSA-N 1 0 399.314 2.702 20 0 GFADRO C[NH+](C)CC[C@@H](NC(=O)C(=O)c1ccc(Br)s1)c1cccnc1 ZINC000928830085 664740498 /nfs/dbraw/zinc/74/04/98/664740498.db2.gz HXWALLXFCCNAMY-GFCCVEGCSA-N 1 0 396.310 2.898 20 0 GFADRO C[NH+](C)CC[C@@H](NC(=O)c1ccc(Br)c(O)c1)c1cccnc1 ZINC000928830982 664740507 /nfs/dbraw/zinc/74/05/07/664740507.db2.gz KWYFXPUKOVASDP-OAHLLOKOSA-N 1 0 378.270 2.973 20 0 GFADRO COc1ccc(C(=O)N[C@@H](CC[NH+](C)C)c2cccnc2)nc1Br ZINC000928831740 664740665 /nfs/dbraw/zinc/74/06/65/664740665.db2.gz ORHBYWSGSNUACC-ZDUSSCGKSA-N 1 0 393.285 2.671 20 0 GFADRO CSC1CCC(CNC(=O)C(=O)NC[C@@H](c2cccs2)[NH+](C)C)CC1 ZINC000929165106 664747532 /nfs/dbraw/zinc/74/75/32/664747532.db2.gz YQWVGTAQYIQBLP-NRXISQOPSA-N 1 0 383.583 2.505 20 0 GFADRO Cc1cc(C[N@@H+](C)[C@H](C)c2ccc(S(N)(=O)=O)cc2)cnc1Br ZINC000929224726 664748606 /nfs/dbraw/zinc/74/86/06/664748606.db2.gz CFJLMHXSVKPLFM-GFCCVEGCSA-N 1 0 398.326 2.993 20 0 GFADRO CC(=O)NCCCCC[N@@H+](C)CC(=O)Nc1ccc(Br)cc1C ZINC000929242390 664748695 /nfs/dbraw/zinc/74/86/95/664748695.db2.gz JOMWQZSVHJLJPM-UHFFFAOYSA-N 1 0 384.318 2.934 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000929300892 664749632 /nfs/dbraw/zinc/74/96/32/664749632.db2.gz RLPORXKAIDUPAE-HZPDHXFCSA-N 1 0 382.302 2.820 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000929300893 664749669 /nfs/dbraw/zinc/74/96/69/664749669.db2.gz RLPORXKAIDUPAE-JKSUJKDBSA-N 1 0 382.302 2.820 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)CCc1ccc(S(C)(=O)=O)cc1)c1cccs1 ZINC000929336719 664750516 /nfs/dbraw/zinc/75/05/16/664750516.db2.gz SIKGGCFWCLERCT-MRXNPFEDSA-N 1 0 380.535 2.503 20 0 GFADRO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)c1cc(=O)[nH]cc1Br ZINC000929342300 664750629 /nfs/dbraw/zinc/75/06/29/664750629.db2.gz CVCLOGXXZVLBMI-CYBMUJFWSA-N 1 0 380.242 2.710 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(Br)cnc1Br ZINC000929462341 664752831 /nfs/dbraw/zinc/75/28/31/664752831.db2.gz JCILJCLGZNPEBK-SNVBAGLBSA-N 1 0 391.107 2.821 20 0 GFADRO C[C@@H]1C[N@@H+](CCCNC(=O)c2cnc(CCC(F)(F)F)s2)C[C@H](C)O1 ZINC000929630010 664755186 /nfs/dbraw/zinc/75/51/86/664755186.db2.gz AAWPZWPOFWSJNS-TXEJJXNPSA-N 1 0 379.448 2.867 20 0 GFADRO CCOC(=O)[C@@H](c1nc(Br)sc1C)N1CC[C@@H](C[NH+](C)C)C1 ZINC000929637605 664755430 /nfs/dbraw/zinc/75/54/30/664755430.db2.gz LDPQRUXAPFEJBF-WCQYABFASA-N 1 0 390.347 2.702 20 0 GFADRO Cc1ccccc1C[N@@H+]1CCCN(C(=O)c2ncc(Br)cn2)CC1 ZINC000930178566 664763913 /nfs/dbraw/zinc/76/39/13/664763913.db2.gz CNGAGEDHOMJFCQ-UHFFFAOYSA-N 1 0 389.297 2.896 20 0 GFADRO OC[C@@H]([NH2+]CCO[C@@H]1CCOC1)c1ccc(Br)cc1C(F)(F)F ZINC000930302726 664766495 /nfs/dbraw/zinc/76/64/95/664766495.db2.gz QHIUDHOKHYSETC-BXUZGUMPSA-N 1 0 398.219 2.896 20 0 GFADRO Cc1cc(Br)ncc1NC(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000930320757 664767055 /nfs/dbraw/zinc/76/70/55/664767055.db2.gz SORGFRGWUMDSPV-DGCLKSJQSA-N 1 0 385.331 2.854 20 0 GFADRO CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H](C)c2ccc(I)cc2)C1 ZINC000930368941 664768353 /nfs/dbraw/zinc/76/83/53/664768353.db2.gz XIBXNFKMDKSASW-STQMWFEESA-N 1 0 386.277 2.853 20 0 GFADRO C[NH+]1CCC(OCC(=O)NCc2ccc(Br)cc2Cl)CC1 ZINC000930802212 664778750 /nfs/dbraw/zinc/77/87/50/664778750.db2.gz PMJBQZZGDNEIES-UHFFFAOYSA-N 1 0 375.694 2.830 20 0 GFADRO C[C@]12CC[N@H+](C[C@@H]3C[C@@H]4COC[C@@H]4O3)C[C@H]1C2(Br)Br ZINC000930926616 664781028 /nfs/dbraw/zinc/78/10/28/664781028.db2.gz ZFACELMNCYJHRV-SJHCENCUSA-N 1 0 395.135 2.618 20 0 GFADRO O=C(NC1CC[NH+](CC2CCCC2)CC1)c1cc(=O)[nH]cc1Br ZINC000930994884 664782578 /nfs/dbraw/zinc/78/25/78/664782578.db2.gz CKPRVVULCBXSRH-UHFFFAOYSA-N 1 0 382.302 2.934 20 0 GFADRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)Nc3cc(Cl)c(N)c(Cl)c3)CC2)C1 ZINC000931019760 664783181 /nfs/dbraw/zinc/78/31/81/664783181.db2.gz ZJAIQSALTFQVBV-CYBMUJFWSA-N 1 0 386.327 2.819 20 0 GFADRO COC(=O)c1c(Br)ccc(NC(=O)N2CC[C@H]3C[N@H+](C)C[C@H]32)c1C ZINC000931080793 664784714 /nfs/dbraw/zinc/78/47/14/664784714.db2.gz KNPJYJKAFWFTEI-SMDDNHRTSA-N 1 0 396.285 2.712 20 0 GFADRO CC[N@@H+]1CCC[C@H](CNC(=O)C[C@H]2C(=O)Nc3c2cccc3Br)C1 ZINC000931127890 664786687 /nfs/dbraw/zinc/78/66/87/664786687.db2.gz VOLJMOWTZDBHTO-TZMCWYRMSA-N 1 0 394.313 2.723 20 0 GFADRO CC(C)(C)[NH2+]CCC(=O)Nc1ncn(Cc2ccc(Br)cc2)n1 ZINC000931194347 664788168 /nfs/dbraw/zinc/78/81/68/664788168.db2.gz CHXKOLYHEYFNSE-UHFFFAOYSA-N 1 0 380.290 2.806 20 0 GFADRO Brc1cc(CN2CCC([N@@H+]3CCCOCC3)CC2)cc2c1OCO2 ZINC000931290644 664790834 /nfs/dbraw/zinc/79/08/34/664790834.db2.gz OQQIMWIIYZQJEH-UHFFFAOYSA-N 1 0 397.313 2.865 20 0 GFADRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)c2cc(C=O)sc2Cl)CC1 ZINC000931301488 664790899 /nfs/dbraw/zinc/79/08/99/664790899.db2.gz VDMYKFDLBCJWCQ-OKILXGFUSA-N 1 0 383.945 2.845 20 0 GFADRO CN(Cc1ccccc1Br)C(=O)CN1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931305216 664791125 /nfs/dbraw/zinc/79/11/25/664791125.db2.gz VVOOOSQHLLTTJB-OALUTQOASA-N 1 0 394.357 2.681 20 0 GFADRO C[C@H](NC(=O)CN1C[C@@H]2CC[N@H+](C)C[C@@H]2C1)c1ccc(Br)cc1 ZINC000931429359 664794680 /nfs/dbraw/zinc/79/46/80/664794680.db2.gz FURYTWKNXQDHEX-CWRNSKLLSA-N 1 0 380.330 2.510 20 0 GFADRO Cc1ccc(NC(=O)[C@H](C)N2C[C@@H]3CC[N@H+](C)C[C@@H]3C2)c(Br)c1 ZINC000931433247 664794937 /nfs/dbraw/zinc/79/49/37/664794937.db2.gz UTMGQUKKJBJTMP-SOUVJXGZSA-N 1 0 380.330 2.968 20 0 GFADRO O[C@H](C[N@@H+]1CC[C@@H](O)[C@@H](O)C1)c1ccc(-c2ccc(Br)cc2)cc1 ZINC000931550430 664798361 /nfs/dbraw/zinc/79/83/61/664798361.db2.gz AFXIQSYZAXKIMC-QRVBRYPASA-N 1 0 392.293 2.577 20 0 GFADRO O=C(C[C@H]1C(=O)Nc2c1cccc2Br)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000931651288 664801789 /nfs/dbraw/zinc/80/17/89/664801789.db2.gz OOIRMHLTHKQLPI-TZMCWYRMSA-N 1 0 392.297 2.572 20 0 GFADRO C[NH+](C)C[C@@H]1CCCN1C(=O)c1cc(Br)cnc1Br ZINC000931664717 664802188 /nfs/dbraw/zinc/80/21/88/664802188.db2.gz UFWIMLBUQSYJOC-JTQLQIEISA-N 1 0 391.107 2.773 20 0 GFADRO Cc1cc(Br)nc(NC(=O)NC[C@@H]2CC[N@@H+]2C2CCOCC2)c1 ZINC000931688107 664802717 /nfs/dbraw/zinc/80/27/17/664802717.db2.gz COBXAGUHUDQHBL-ZDUSSCGKSA-N 1 0 383.290 2.527 20 0 GFADRO Cn1cc(Br)c(C(=O)Nc2ccc(CC[NH+](C)C)cc2)cc1=O ZINC000931808817 664805586 /nfs/dbraw/zinc/80/55/86/664805586.db2.gz KFNNDFKXEBDOGR-UHFFFAOYSA-N 1 0 378.270 2.504 20 0 GFADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)Nc3cccc(Br)c3F)CC2)C1 ZINC000931950714 664807915 /nfs/dbraw/zinc/80/79/15/664807915.db2.gz KUZWXTFFEPEYEI-ZDUSSCGKSA-N 1 0 399.308 2.832 20 0 GFADRO CCS(=O)(=O)CCCCCN1C[C@H](NC(=O)OC(C)(C)C)C(C)(C)C1 ZINC000931991853 664808478 /nfs/dbraw/zinc/80/84/78/664808478.db2.gz KKZLUEDIEGPUQE-HNNXBMFYSA-N 1 0 376.563 2.827 20 0 GFADRO C[C@]1([C@@H]2CCC[N@H+](C[C@H](O)c3cccc(Br)c3)C2)COC(=O)N1 ZINC000932030220 664809178 /nfs/dbraw/zinc/80/91/78/664809178.db2.gz RBAYFEPVZQIQLY-UKPHBRMFSA-N 1 0 383.286 2.693 20 0 GFADRO COCCN(CC[NH+](C)C)C(=O)c1nccc2c(Br)cccc21 ZINC000932043325 664809300 /nfs/dbraw/zinc/80/93/00/664809300.db2.gz UVLAUJJZVQFYLV-UHFFFAOYSA-N 1 0 380.286 2.648 20 0 GFADRO C[C@H]([NH2+][C@H]1CCOc2ccc(Br)cc21)C(=O)NC[C@@H]1CCCO1 ZINC000932207530 664813725 /nfs/dbraw/zinc/81/37/25/664813725.db2.gz LFKZKZOZRSQFFA-WHOFXGATSA-N 1 0 383.286 2.546 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCOc2ccc(Br)cc21)C(=O)NC[C@@H]1CCCO1 ZINC000932212002 664813940 /nfs/dbraw/zinc/81/39/40/664813940.db2.gz LFKZKZOZRSQFFA-CORIIIEPSA-N 1 0 383.286 2.546 20 0 GFADRO CN(Cc1ccccc1Br)C(=O)CCNC(=O)CC[NH2+]C(C)(C)C ZINC000932511936 664823669 /nfs/dbraw/zinc/82/36/69/664823669.db2.gz XIJSJRCQAQWACH-UHFFFAOYSA-N 1 0 398.345 2.692 20 0 GFADRO C[NH+](C)CC1CCN(C(=O)c2cnnn2-c2cccc(Cl)c2Cl)CC1 ZINC000932712971 664832385 /nfs/dbraw/zinc/83/23/85/664832385.db2.gz QWWQGXVRFCTSMV-UHFFFAOYSA-N 1 0 382.295 2.988 20 0 GFADRO CC(C)CN(C(=O)c1cc(Br)cn2ncnc12)C1CC[NH+](C)CC1 ZINC000932722372 664833247 /nfs/dbraw/zinc/83/32/47/664833247.db2.gz YBOAHZOWCPGGPS-UHFFFAOYSA-N 1 0 394.317 2.684 20 0 GFADRO O=C(C[C@@H]1C(=O)Nc2ccc(Br)cc21)N1CC[NH+](C2CCC2)CC1 ZINC000932762203 664835262 /nfs/dbraw/zinc/83/52/62/664835262.db2.gz VHDBSQNBMDZXRM-HNNXBMFYSA-N 1 0 392.297 2.572 20 0 GFADRO O=C1N[C@@H](C2CC[NH+](C[C@H](O)COc3cc(Cl)cc(Cl)c3)CC2)CO1 ZINC000932773409 664836788 /nfs/dbraw/zinc/83/67/88/664836788.db2.gz UIMNHLJYRBJDJY-GOEBONIOSA-N 1 0 389.279 2.554 20 0 GFADRO O=C1N[C@H](C2CC[NH+](C[C@@H](O)COc3ccc(Cl)cc3Cl)CC2)CO1 ZINC000932783728 664838117 /nfs/dbraw/zinc/83/81/17/664838117.db2.gz BKFFYWPFSXNQSJ-HIFRSBDPSA-N 1 0 389.279 2.554 20 0 GFADRO O=C1OCCN1CCC[N@H+]1CCC[C@](O)(c2ccc(Br)cc2)C1 ZINC000932808559 664839448 /nfs/dbraw/zinc/83/94/48/664839448.db2.gz GQPDSYOOLNYBBR-QGZVFWFLSA-N 1 0 383.286 2.575 20 0 GFADRO O[C@]1(c2ccc(Br)cc2)CCC[N@H+](C[C@@H]2C[C@H]3COC[C@H]3O2)C1 ZINC000932813650 664839770 /nfs/dbraw/zinc/83/97/70/664839770.db2.gz BNZLBAMHODFNQK-VIBAHUMZSA-N 1 0 382.298 2.536 20 0 GFADRO C[C@@]1(Cc2ccc(Cl)s2)CCC[N@@H+]1CC1(O)CCS(=O)(=O)CC1 ZINC000932914172 664842878 /nfs/dbraw/zinc/84/28/78/664842878.db2.gz GFTOSOGZFNTDQP-HNNXBMFYSA-N 1 0 377.959 2.738 20 0 GFADRO NS(=O)(=O)C[C@H]1CC[N@H+](Cc2cccc3c(Br)cccc23)C1 ZINC000932947832 664844484 /nfs/dbraw/zinc/84/44/84/664844484.db2.gz FALWDGIEUFRPGH-LBPRGKRZSA-N 1 0 383.311 2.713 20 0 GFADRO O=C1NCC2(CCOCC2)[C@@H]1[NH2+]CCSc1cc(Cl)ccc1Cl ZINC000933040372 664848086 /nfs/dbraw/zinc/84/80/86/664848086.db2.gz RIDJYCABRTYJSF-CQSZACIVSA-N 1 0 375.321 2.970 20 0 GFADRO COC(=O)c1ccc(C[NH+]2CCC3(CC2)C[C@@H](O)CCO3)c(Br)c1 ZINC000933054148 664848165 /nfs/dbraw/zinc/84/81/65/664848165.db2.gz GONHHNKNJKXVPL-HNNXBMFYSA-N 1 0 398.297 2.742 20 0 GFADRO O[C@@H](COc1ccc(Cl)cc1Cl)C[NH+]1CCC2(CC1)C[C@H](O)CCO2 ZINC000933067035 664849111 /nfs/dbraw/zinc/84/91/11/664849111.db2.gz RJTSHAHVVOCHTK-HUUCEWRRSA-N 1 0 390.307 2.739 20 0 GFADRO COCCN(CC[NH+](C)C)C(=O)Nc1c(F)ccc(Br)c1F ZINC000933292171 664855274 /nfs/dbraw/zinc/85/52/74/664855274.db2.gz ZSCNMFOAGBBRGK-UHFFFAOYSA-N 1 0 380.233 2.769 20 0 GFADRO CC(C)S(=O)(=O)CCC[NH2+][C@](C)(CO)Cc1ccc(Br)cc1 ZINC000933438447 664864280 /nfs/dbraw/zinc/86/42/80/664864280.db2.gz XJWJVPONLWJHRI-INIZCTEOSA-N 1 0 392.359 2.546 20 0 GFADRO Cc1cccnc1NC(=O)C[NH2+][C@](C)(CO)Cc1ccc(Br)cc1 ZINC000933443708 664864824 /nfs/dbraw/zinc/86/48/24/664864824.db2.gz YWHPXEMPGCSWLY-SFHVURJKSA-N 1 0 392.297 2.674 20 0 GFADRO CC(C)(C)n1ncnc1C[NH2+][C@@](C)(CO)Cc1ccc(Br)cc1 ZINC000933441936 664864857 /nfs/dbraw/zinc/86/48/57/664864857.db2.gz QEWPIVCKVULMOE-QGZVFWFLSA-N 1 0 381.318 2.879 20 0 GFADRO NC(=O)[C@]12CCC[C@H]1C[N@H+](Cc1nc(-c3cc(Br)cs3)no1)C2 ZINC000933759035 664877401 /nfs/dbraw/zinc/87/74/01/664877401.db2.gz HRXRZEGNPZATAR-VFZGTOFNSA-N 1 0 397.298 2.648 20 0 GFADRO CC[NH+](CC)[C@@H]1CCN(C(=O)C[C@H]2C(=O)Nc3ccc(Br)cc32)C1 ZINC000933795139 664878099 /nfs/dbraw/zinc/87/80/99/664878099.db2.gz VNOKORBLMZPEQE-UKRRQHHQSA-N 1 0 394.313 2.818 20 0 GFADRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1ncc(Br)cn1 ZINC000933814475 664878758 /nfs/dbraw/zinc/87/87/58/664878758.db2.gz NNCGLIGOAZRSAZ-HNNXBMFYSA-N 1 0 389.297 2.833 20 0 GFADRO CN1CCN(Cc2nnc(-c3c(Cl)cccc3Cl)o2)CC[N@H+](C)CC1 ZINC000933997068 664886281 /nfs/dbraw/zinc/88/62/81/664886281.db2.gz SLJNMTACUIYSIT-UHFFFAOYSA-N 1 0 384.311 2.723 20 0 GFADRO Cc1[nH]nc(Br)c1C(=O)Nc1cccc(C[NH+]2CCC(O)CC2)c1 ZINC000934194092 664892056 /nfs/dbraw/zinc/89/20/56/664892056.db2.gz TVPCKHHYGQBCQV-UHFFFAOYSA-N 1 0 393.285 2.690 20 0 GFADRO Cc1c(Br)cncc1NC(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000934249734 664893851 /nfs/dbraw/zinc/89/38/51/664893851.db2.gz MJFNROSWHVMADU-UHFFFAOYSA-N 1 0 397.317 2.919 20 0 GFADRO Cc1c(Br)cncc1NC(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000934259294 664894808 /nfs/dbraw/zinc/89/48/08/664894808.db2.gz XDBLELGDCCHUTA-HOTGVXAUSA-N 1 0 397.317 2.652 20 0 GFADRO COc1cc(Br)ccc1CCC[N@@H+]1CC[C@H]2[C@H]1CCCN2CCO ZINC000934263705 664895383 /nfs/dbraw/zinc/89/53/83/664895383.db2.gz DGFGVKVWTSIOAW-MSOLQXFVSA-N 1 0 397.357 2.921 20 0 GFADRO C[N@@H+]1CCC[C@H]2CN(C(=O)Nc3c(Br)cnn3C3CC3)CC[C@H]21 ZINC000934373891 664903409 /nfs/dbraw/zinc/90/34/09/664903409.db2.gz LZRKKWIBPCKFFC-SMDDNHRTSA-N 1 0 382.306 2.929 20 0 GFADRO Brc1ccccc1-n1nnnc1C[NH2+][C@H]1CCOC12CCCC2 ZINC000934392112 664905181 /nfs/dbraw/zinc/90/51/81/664905181.db2.gz QGYJGHNDVWVHEI-AWEZNQCLSA-N 1 0 378.274 2.616 20 0 GFADRO O=C(C[NH2+][C@@H]1CCOC12CCOCC2)Nc1nc(-c2cccs2)cs1 ZINC000934400317 664905532 /nfs/dbraw/zinc/90/55/32/664905532.db2.gz NZWMTEVVMJAMBU-CQSZACIVSA-N 1 0 379.507 2.738 20 0 GFADRO C[C@@](CO)([NH2+]CCc1ccc(C(N)=O)cc1)c1cccc(Br)c1 ZINC000934494608 664908639 /nfs/dbraw/zinc/90/86/39/664908639.db2.gz RSYDOBGIQYZAHB-SFHVURJKSA-N 1 0 377.282 2.588 20 0 GFADRO CCn1c(C[NH2+]C(C)(C)CSC)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000934671876 664914585 /nfs/dbraw/zinc/91/45/85/664914585.db2.gz DBANVXLMEYKZBD-UHFFFAOYSA-N 1 0 384.571 2.538 20 0 GFADRO CN(C)[S@](C)(=O)=NCC1CCN(Cc2cccc(Br)n2)CC1 ZINC000934746450 664917941 /nfs/dbraw/zinc/91/79/41/664917941.db2.gz CTWJABGGXMHDNV-JOCHJYFZSA-N 1 0 389.363 2.631 20 0 GFADRO OC[C@H]([NH2+]C[C@@H]1C[C@@H]2CCC[C@H]2O1)c1ccccc1I ZINC000934825384 664924060 /nfs/dbraw/zinc/92/40/60/664924060.db2.gz CWCGHCOWBJDJBI-GVAFMPQTSA-N 1 0 387.261 2.872 20 0 GFADRO Cc1nccn1CCC[NH2+][C@H](CO)c1ccccc1I ZINC000934827329 664924969 /nfs/dbraw/zinc/92/49/69/664924969.db2.gz RGTDNMVPNOIGQQ-OAHLLOKOSA-N 1 0 385.249 2.509 20 0 GFADRO OC[C@H]([NH2+]CCCOC(F)(F)F)c1ccccc1I ZINC000934827647 664925390 /nfs/dbraw/zinc/92/53/90/664925390.db2.gz YIWNVMPKMYSTDO-NSHDSACASA-N 1 0 389.155 2.841 20 0 GFADRO C[C@H](Cc1ccc(F)c(Br)c1)NC(=O)COC1CC[NH+](C)CC1 ZINC000934884109 664928159 /nfs/dbraw/zinc/92/81/59/664928159.db2.gz KBJZSNCMWIIYLH-GFCCVEGCSA-N 1 0 387.293 2.746 20 0 GFADRO Cn1c(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cc2cc(Br)cnc21 ZINC000934888581 664928189 /nfs/dbraw/zinc/92/81/89/664928189.db2.gz DBYKQPSWWIIZGR-IUODEOHRSA-N 1 0 391.313 2.892 20 0 GFADRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2cnn3cccc(Br)c23)C1 ZINC000934953232 664931616 /nfs/dbraw/zinc/93/16/16/664931616.db2.gz YBUCKKVLESYOIG-DOMZBBRYSA-N 1 0 377.286 2.653 20 0 GFADRO Cc1c(Br)ccc(F)c1C(=O)Nc1ccc(=O)n(CC[NH+](C)C)c1 ZINC000935082992 664938954 /nfs/dbraw/zinc/93/89/54/664938954.db2.gz CPJZWWUYUSXJSD-UHFFFAOYSA-N 1 0 396.260 2.872 20 0 GFADRO Cc1cc(C(=O)N2CCC(N3CC[NH+](C(C)C)CC3)CC2)oc1Br ZINC000935131587 664941755 /nfs/dbraw/zinc/94/17/55/664941755.db2.gz UPKCITUEMVNQQU-UHFFFAOYSA-N 1 0 398.345 2.981 20 0 GFADRO C[C@H](C(=O)NCC1=CC[N@H+](C)CC1)c1ccc(I)cc1 ZINC000935249729 664948618 /nfs/dbraw/zinc/94/86/18/664948618.db2.gz GJQDYLKSMHDMKG-LBPRGKRZSA-N 1 0 384.261 2.773 20 0 GFADRO Cc1[nH]nc(Br)c1C(=O)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000935408412 664959608 /nfs/dbraw/zinc/95/96/08/664959608.db2.gz CETJSVAVEUVXTN-FZMZJTMJSA-N 1 0 377.286 2.731 20 0 GFADRO C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)c1ncc(C(F)(F)F)cc1Cl ZINC000935445129 664962182 /nfs/dbraw/zinc/96/21/82/664962182.db2.gz IIXIIOXRLXFJIH-NSHDSACASA-N 1 0 378.826 2.510 20 0 GFADRO Cc1ccc(Br)c(C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)n1 ZINC000935702585 664983094 /nfs/dbraw/zinc/98/30/94/664983094.db2.gz GJWAJGIMMRFZME-UHFFFAOYSA-N 1 0 378.274 2.868 20 0 GFADRO C[C@@H](C(=O)NOC1CC[NH+](C)CC1)c1ccc(I)cc1 ZINC000935842005 664992350 /nfs/dbraw/zinc/99/23/50/664992350.db2.gz IXWWRMIMQVLYOY-LLVKDONJSA-N 1 0 388.249 2.537 20 0 GFADRO C[C@@H]1C[C@@H](N2CCOCC2)CN1C(=O)c1cc(Br)cnc1C1CC1 ZINC000935930629 664999190 /nfs/dbraw/zinc/99/91/90/664999190.db2.gz AYQXLADWGTVBFW-IUODEOHRSA-N 1 0 394.313 2.657 20 0 GFADRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1nc(Br)c2ccccn21 ZINC000935940681 665000241 /nfs/dbraw/zinc/00/02/41/665000241.db2.gz OYIOADOUCFBCKK-QWHCGFSZSA-N 1 0 377.286 2.796 20 0 GFADRO Cc1csc(Cl)c1C(=O)N[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1C ZINC000949516267 665010060 /nfs/dbraw/zinc/01/00/60/665010060.db2.gz UOZAHRYZIQJSFU-FMKGYKFTSA-N 1 0 383.945 2.627 20 0 GFADRO Cc1csc(Cl)c1C(=O)N1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000957529838 665013590 /nfs/dbraw/zinc/01/35/90/665013590.db2.gz AUBFZJQDMXWXJW-FMKGYKFTSA-N 1 0 383.945 2.627 20 0 GFADRO C[N@@H+]1CC[C@H](CC(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2csc(Cl)c2)C3)C1 ZINC000996387092 665030682 /nfs/dbraw/zinc/03/06/82/665030682.db2.gz COGORWHFXMKTNG-RZFFKMDDSA-N 1 0 381.929 2.605 20 0 GFADRO C[NH+]1CCC(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2cc(Cl)cs2)C3)CC1 ZINC000996388800 665031180 /nfs/dbraw/zinc/03/11/80/665031180.db2.gz UBVBKGSSOYKXJE-ILXRZTDVSA-N 1 0 381.929 2.605 20 0 GFADRO C[N@@H+]1CC[C@H](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)c2sccc2Cl)C1 ZINC000998633335 665040596 /nfs/dbraw/zinc/04/05/96/665040596.db2.gz WDXAZPJKSQBDGU-UXOAXIEHSA-N 1 0 381.929 2.605 20 0 GFADRO Cc1csc(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)C[NH+]2CCCC2)C3)c1Cl ZINC001002825976 665057448 /nfs/dbraw/zinc/05/74/48/665057448.db2.gz CGUKLBRBOUSWIL-MCIONIFRSA-N 1 0 381.929 2.667 20 0 GFADRO C[C@@H]1[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2csc(Cl)c2)CC[N@@H+]1C ZINC001003133158 665058841 /nfs/dbraw/zinc/05/88/41/665058841.db2.gz PREDLWJEOUNPSM-GZENYHORSA-N 1 0 381.929 2.603 20 0 GFADRO C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cscc1Cl ZINC001003866953 665062372 /nfs/dbraw/zinc/06/23/72/665062372.db2.gz IQHUHNLVLWDTRP-FWYOQMDTSA-N 1 0 381.929 2.748 20 0 GFADRO C[C@H]1CC[N@H+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2ccsc2Cl)C1 ZINC001006289028 665069810 /nfs/dbraw/zinc/06/98/10/665069810.db2.gz PCOUAAIOVQOTNB-MXYBEHONSA-N 1 0 381.929 2.605 20 0 GFADRO O=C([C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)N1CCC[C@H](C[NH2+]Cc2cnc(Cl)s2)C1 ZINC001024068807 665074400 /nfs/dbraw/zinc/07/44/00/665074400.db2.gz XQIRAPWDCVNAHG-BAGFCZJQSA-N 1 0 381.929 2.548 20 0 GFADRO C[N@H+](CCCO)C1CCN(C[C@@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000115547470 677395277 /nfs/dbraw/zinc/39/52/77/677395277.db2.gz JRZIWWCGSGHZKR-OAHLLOKOSA-N 1 0 391.339 2.512 20 0 GFADRO COc1c(Br)cc(Cl)cc1S(=O)(=O)N[C@H](C)CCCC[NH3+] ZINC000387014910 677407812 /nfs/dbraw/zinc/40/78/12/677407812.db2.gz YKQHLZKYUQMMHN-SECBINFHSA-N 1 0 399.738 2.907 20 0 GFADRO COC(=O)[C@]12C[N@H+](Cc3cc(Cl)ccc3OC(F)F)C[C@H]1COCC2 ZINC000475584016 677673095 /nfs/dbraw/zinc/67/30/95/677673095.db2.gz XNHIRVKNDLZAAR-YVEFUNNKSA-N 1 0 375.799 2.953 20 0 GFADRO O[C@H](C[NH2+]C1CCN(c2nccs2)CC1)COCc1ccc(Cl)cc1 ZINC000579824586 677673546 /nfs/dbraw/zinc/67/35/46/677673546.db2.gz NUHOPPDLHAMLCI-QGZVFWFLSA-N 1 0 381.929 2.933 20 0 GFADRO Cc1cccc(-c2cc(C(F)(F)N3CCN4CC[NH2+]C[C@@H]4C3)c(Cl)nn2)c1 ZINC001164400360 718844260 /nfs/dbraw/zinc/84/42/60/718844260.db2.gz XNSFFAYAFLZMBY-OAHLLOKOSA-N 1 0 393.869 2.744 20 0 GFADRO FC(F)(c1cnc(Cl)c(C2CC2)c1)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001164416092 718886062 /nfs/dbraw/zinc/88/60/62/718886062.db2.gz ROVINIIGROTBTA-UHFFFAOYSA-N 1 0 394.857 2.848 20 0 GFADRO CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@@H]2N1C(F)(F)c1ccc2ncnc(Cl)c2c1 ZINC001164616545 719014106 /nfs/dbraw/zinc/01/41/06/719014106.db2.gz LAIXZNZAGUHAOK-ONERCXAPSA-N 1 0 396.825 2.558 20 0 GFADRO CCOC(=O)C1CC[NH+](C2CCN(c3c(C)nc(C)nc3Cl)CC2)CC1 ZINC001164614014 719025139 /nfs/dbraw/zinc/02/51/39/719025139.db2.gz KTFKTMYCVCZMKU-UHFFFAOYSA-N 1 0 380.920 2.991 20 0 GFADRO COC(=O)c1cc(Cl)ncc1C(F)(F)N1C[C@H](CF)[C@@H](C2([NH3+])CC2)C1 ZINC001164625116 719117839 /nfs/dbraw/zinc/11/78/39/719117839.db2.gz GQCAZTUQZZBUNZ-CABZTGNLSA-N 1 0 377.794 2.580 20 0 GFADRO [NH3+]C1([C@@H]2CN(C(F)(F)Cc3nc4c(ncnc4Cl)s3)C[C@H]2CF)CC1 ZINC001164621172 719127423 /nfs/dbraw/zinc/12/74/23/719127423.db2.gz LNIUJSNGVXHONY-RKDXNWHRSA-N 1 0 391.850 2.884 20 0 GFADRO COC(=O)[C@H]1C[NH2+]CCN1C(F)(F)Oc1ccc(-c2ccnc(Cl)c2)cc1 ZINC001164621995 719134350 /nfs/dbraw/zinc/13/43/50/719134350.db2.gz NYUSTWKSEMOXCN-OAHLLOKOSA-N 1 0 397.809 2.778 20 0 GFADRO C[C@@H]1CN(c2ncc3cc(C(=O)N(C)C)n(C4CCCC4)c3n2)[C@@H](C)C[N@@H+]1C ZINC001164637356 719200762 /nfs/dbraw/zinc/20/07/62/719200762.db2.gz OCMODMUXKAVNCG-CABCVRRESA-N 1 0 384.528 2.777 20 0 GFADRO O=C(CC1CC1)N[C@@H]1CN(c2ccc(C[NH+]3CCCC3)cn2)C[C@@H]2CCCO[C@@H]12 ZINC001164652184 719325795 /nfs/dbraw/zinc/32/57/95/719325795.db2.gz CBYKQGZPCABDFW-MIZPHKNDSA-N 1 0 398.551 2.578 20 0 GFADRO CC(C)N(C)Cc1nn(-c2nc(Cl)nc(-c3ccccc3)n2)c2c1CC[NH2+]C2 ZINC001164684967 719613873 /nfs/dbraw/zinc/61/38/73/719613873.db2.gz PJAHACYUCGWPOY-UHFFFAOYSA-N 1 0 397.914 2.864 20 0 GFADRO Cc1cc(C(F)(F)n2nc(CN(C)C(C)C)c3c2C[NH2+]CC3)nc(Cl)n1 ZINC001164686276 719615556 /nfs/dbraw/zinc/61/55/56/719615556.db2.gz ZTNLCGGBEUJAEK-UHFFFAOYSA-N 1 0 384.862 2.718 20 0 GFADRO COc1ccc2nc(-n3nc(CN(C)C(C)C)c4c3C[NH2+]CC4)nc(C)c2c1 ZINC001164682362 719627048 /nfs/dbraw/zinc/62/70/48/719627048.db2.gz MNZUWKLFHATAMX-UHFFFAOYSA-N 1 0 380.496 2.618 20 0 GFADRO COc1cccc(-c2ccnc(-n3nc(CN(C)C(C)C)c4c3C[NH2+]CC4)n2)c1 ZINC001164681196 719631075 /nfs/dbraw/zinc/63/10/75/719631075.db2.gz CLXDDLQCIVIYKX-UHFFFAOYSA-N 1 0 392.507 2.824 20 0 GFADRO CC(C)N(C)Cc1nn(C(F)(F)c2cnc(Cl)c(N)c2)c2c1CC[NH2+]C2 ZINC001164679515 719635680 /nfs/dbraw/zinc/63/56/80/719635680.db2.gz DVDDJPLYGYDWIF-UHFFFAOYSA-N 1 0 384.862 2.597 20 0 GFADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1nc3ccc(C)cc3nc1Cl)CC2 ZINC001164683247 719715669 /nfs/dbraw/zinc/71/56/69/719715669.db2.gz JEMGFKGUFJYNAA-UHFFFAOYSA-N 1 0 387.915 2.772 20 0 GFADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1nccc(Oc3cccc(F)c3)n1)CC2 ZINC001164686594 719733665 /nfs/dbraw/zinc/73/36/65/719733665.db2.gz QCNYLJOWYUOZSZ-UHFFFAOYSA-N 1 0 399.470 2.589 20 0 GFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(Cl)nc3cccnc31)C2 ZINC001164813168 720088419 /nfs/dbraw/zinc/08/84/19/720088419.db2.gz SVCWDLVNPYBYCH-FOIQADDNSA-N 1 0 387.915 2.863 20 0 GFADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccnc3ccnn31)CC2 ZINC001164710675 720092713 /nfs/dbraw/zinc/09/27/13/720092713.db2.gz KZRWUYLPWFCZMI-IBGZPJMESA-N 1 0 392.507 2.632 20 0 GFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nccc3c1C(=O)OC3(C)C)C2 ZINC001164816490 720103665 /nfs/dbraw/zinc/10/36/65/720103665.db2.gz ZFGVXGVXNFDIMW-KSFYIVLOSA-N 1 0 385.508 2.672 20 0 GFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(C)c(F)cc1C(=O)OC)C2 ZINC001164815497 720116496 /nfs/dbraw/zinc/11/64/96/720116496.db2.gz VZMZDXAROCMPDD-IIBYNOLFSA-N 1 0 391.487 2.500 20 0 GFADRO CCOC(=O)c1c(C)ccnc1N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COC ZINC001164811728 720148173 /nfs/dbraw/zinc/14/81/73/720148173.db2.gz NBDPABHMAWJVQI-XMSQKQJNSA-N 1 0 387.524 2.751 20 0 GFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc3ccc(Cl)nc3[nH]1)C2 ZINC001164819473 720151563 /nfs/dbraw/zinc/15/15/63/720151563.db2.gz XGVJJWVAMNEYEU-LIRRHRJNSA-N 1 0 375.904 2.796 20 0 GFADRO COCc1ccc(N2CCC3(C[C@@H](COC)[N@@H+](Cc4ccccn4)C3)CC2)nn1 ZINC001164713902 720153602 /nfs/dbraw/zinc/15/36/02/720153602.db2.gz UDNQWOLGHFYSPL-FQEVSTJZSA-N 1 0 397.523 2.526 20 0 GFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(C(N)=O)cc3ccccc31)C2 ZINC001164817834 720177856 /nfs/dbraw/zinc/17/78/56/720177856.db2.gz QJFPMXTXQICHGA-JPYJTQIMSA-N 1 0 394.519 2.518 20 0 GFADRO Cc1cccc2c1ncnc2N1CCCn2c(=O)cc(C[N@@H+](C)C(C)C)nc2C1 ZINC001164813242 720215944 /nfs/dbraw/zinc/21/59/44/720215944.db2.gz NVKJAKCQQGAEJH-UHFFFAOYSA-N 1 0 392.507 2.745 20 0 GFADRO Cc1nc2sccc2c(N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164816940 720285968 /nfs/dbraw/zinc/28/59/68/720285968.db2.gz ACHLFUREYAMOJG-QZTJIDSGSA-N 1 0 399.564 2.911 20 0 GFADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2ncnc3ccccc32)CC1 ZINC001164826757 720294381 /nfs/dbraw/zinc/29/43/81/720294381.db2.gz WKAHFSZJDYUXNG-UXHICEINSA-N 1 0 379.508 2.541 20 0 GFADRO COc1cc(Cl)ncc1N1CC[C@H]2[C@@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164819657 720310198 /nfs/dbraw/zinc/31/01/98/720310198.db2.gz FPCBUWFTGHNLFG-HOTGVXAUSA-N 1 0 392.931 2.655 20 0 GFADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2ccc3cccnc3n2)CC1 ZINC001164821648 720314290 /nfs/dbraw/zinc/31/42/90/720314290.db2.gz LSNYLDMRYQGYNN-RTBURBONSA-N 1 0 379.508 2.541 20 0 GFADRO COc1ccc(Cl)nc1N1CC[C@H]2[C@@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164826233 720323214 /nfs/dbraw/zinc/32/32/14/720323214.db2.gz FULMBWWLRPHNFN-HOTGVXAUSA-N 1 0 392.931 2.655 20 0 GFADRO COC(=O)c1cccc2nc(N3CC[C@@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)ncc21 ZINC001164726577 720362841 /nfs/dbraw/zinc/36/28/41/720362841.db2.gz PSTKSFAAPKIGNZ-UXHICEINSA-N 1 0 389.459 2.665 20 0 GFADRO CCOC(=O)c1nnc(Cl)cc1N1CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164725056 720373985 /nfs/dbraw/zinc/37/39/85/720373985.db2.gz LLHTXUNYTORSJO-HUUCEWRRSA-N 1 0 387.871 2.555 20 0 GFADRO CC(C)(C)C(=O)Nc1ccc(N2CC[C@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)nn1 ZINC001164723760 720381573 /nfs/dbraw/zinc/38/15/73/720381573.db2.gz HFWWXQHYBWIBOK-DLBZAZTESA-N 1 0 380.496 2.709 20 0 GFADRO CC(C)[N@H+]1[C@@H]2CCN(c3nccc(NC4CC4)n3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164837148 720505623 /nfs/dbraw/zinc/50/56/23/720505623.db2.gz NWKRNQJJMXTSNX-YTQUADARSA-N 1 0 381.528 2.625 20 0 GFADRO Cc1c[nH]c2ncnc(N3CC[C@@H]4[C@H](C[C@H](Cn5cccn5)[N@H+]4C(C)C)C3)c12 ZINC001164839203 720505967 /nfs/dbraw/zinc/50/59/67/720505967.db2.gz SZBZEVVOEFCGBB-KZNAEPCWSA-N 1 0 379.512 2.841 20 0 GFADRO COc1cnc(Cl)nc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164840731 720510559 /nfs/dbraw/zinc/51/05/59/720510559.db2.gz XIOZTSJMXAAJOH-HRCADAONSA-N 1 0 390.919 2.713 20 0 GFADRO C[NH+](C)Cc1ccnc(N2CCO[C@]3(CCC[C@H]3COc3ccccn3)C2)c1 ZINC001164736003 720541544 /nfs/dbraw/zinc/54/15/44/720541544.db2.gz UCBLCACGFLHOHQ-SIKLNZKXSA-N 1 0 382.508 2.993 20 0 GFADRO COc1cc2c(cc1F)ncnc2N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001164729535 720574736 /nfs/dbraw/zinc/57/47/36/720574736.db2.gz QGEGRESTNZIQKF-UHFFFAOYSA-N 1 0 396.470 2.633 20 0 GFADRO CC(C)[N@H+]1[C@@H]2CCN(c3cncc(N4CCCC4)n3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164840871 720574704 /nfs/dbraw/zinc/57/47/04/720574704.db2.gz UJIBIFOBRZJYGC-HSALFYBXSA-N 1 0 395.555 2.651 20 0 GFADRO CC(C)c1cc2c(ncnc2N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)s1 ZINC001164742397 720606146 /nfs/dbraw/zinc/60/61/46/720606146.db2.gz NCGDMSZYQQHBLV-CABCVRRESA-N 1 0 396.520 2.947 20 0 GFADRO Cc1noc2ncnc(N3CC[C@@H]4[C@H](C[C@H](Cn5cccn5)[N@H+]4C(C)C)C3)c12 ZINC001164842190 720628320 /nfs/dbraw/zinc/62/83/20/720628320.db2.gz UIRNPAXLSANPAI-BRWVUGGUSA-N 1 0 381.484 2.501 20 0 GFADRO F[C@@H](Oc1ccc(Cl)nn1)N1CCCn2cnc(C[NH2+]C3CCC3)c2C1 ZINC001164844376 720739826 /nfs/dbraw/zinc/73/98/26/720739826.db2.gz QLHKQILRWRBZTD-QGZVFWFLSA-N 1 0 380.855 2.506 20 0 GFADRO c1ncn(C[C@@H]2C[C@@H]3CN(c4ccc5c(n4)CCC5)CC[C@@H]3[N@@H+]2CC2CC2)n1 ZINC001164744450 720823180 /nfs/dbraw/zinc/82/31/80/720823180.db2.gz UGJYQFOSECMHNI-DYXWJJEUSA-N 1 0 378.524 2.541 20 0 GFADRO COCC[N@@H+]1CCO[C@H]2CN(c3nc4ccc(OC)cc4cc3C)CC[C@@H]2C1 ZINC001164848372 720833037 /nfs/dbraw/zinc/83/30/37/720833037.db2.gz MVAKZKAEPQMGIV-UTKZUKDTSA-N 1 0 385.508 2.725 20 0 GFADRO CC(C)Oc1cccc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164741531 720833412 /nfs/dbraw/zinc/83/34/12/720833412.db2.gz FIHALMQIOOLZNR-VAMGGRTRSA-N 1 0 396.539 2.840 20 0 GFADRO COCC[N@@H+]1CCO[C@H]2CN(c3nnc(Cl)c4ccsc43)CC[C@H]2C1 ZINC001164857721 720843554 /nfs/dbraw/zinc/84/35/54/720843554.db2.gz YOOPLNXLFUYWAB-JSGCOSHPSA-N 1 0 382.917 2.518 20 0 GFADRO COCC[N@@H+]1CCO[C@H]2CN(c3nnc(Cl)c4ccsc43)CC[C@@H]2C1 ZINC001164857724 720843655 /nfs/dbraw/zinc/84/36/55/720843655.db2.gz YOOPLNXLFUYWAB-OCCSQVGLSA-N 1 0 382.917 2.518 20 0 GFADRO CSc1cccc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164744744 720845244 /nfs/dbraw/zinc/84/52/44/720845244.db2.gz LNYAKMPFXRZNII-RCCFBDPRSA-N 1 0 384.553 2.774 20 0 GFADRO CSc1ccnc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c1 ZINC001164741318 720847920 /nfs/dbraw/zinc/84/79/20/720847920.db2.gz DZWOERCMTOKVSR-JENIJYKNSA-N 1 0 384.553 2.774 20 0 GFADRO CSCc1ccc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc1 ZINC001164745985 720852684 /nfs/dbraw/zinc/85/26/84/720852684.db2.gz FBPLMNVOFJRUEJ-XUVXKRRUSA-N 1 0 398.580 2.916 20 0 GFADRO c1cncc(COC[C@H]2C[N@H+](CC3CC3)C[C@]23CCN(c2cnccn2)C3)c1 ZINC001164755798 720866751 /nfs/dbraw/zinc/86/67/51/720866751.db2.gz YXLNJXYIRZOBGK-IRLDBZIGSA-N 1 0 379.508 2.627 20 0 GFADRO Cc1cnc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)cn1 ZINC001164755750 720868806 /nfs/dbraw/zinc/86/88/06/720868806.db2.gz YSBYCWRXHMKINX-FYYLOGMGSA-N 1 0 393.535 2.935 20 0 GFADRO COCC[N@@H+]1CCO[C@H]2CN(c3c(F)ccc4c(Cl)ncnc43)CC[C@@H]2C1 ZINC001164864750 720891129 /nfs/dbraw/zinc/89/11/29/720891129.db2.gz WXCVUNUDCWTFPW-CJNGLKHVSA-N 1 0 394.878 2.596 20 0 GFADRO CSc1nc(Cl)nc(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@@H]2C)n1 ZINC001164862975 720943637 /nfs/dbraw/zinc/94/36/37/720943637.db2.gz XIQIQKUVKOKEDO-NSHDSACASA-N 1 0 381.937 2.865 20 0 GFADRO Fc1ccc2ncnc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)c2c1 ZINC001164867839 721056076 /nfs/dbraw/zinc/05/60/76/721056076.db2.gz KWVWKMKKICHSCN-MSOLQXFVSA-N 1 0 379.439 2.644 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(C(F)(F)c4ccc(Cl)nc4)C[C@@H]3C2)cn1 ZINC001164761564 721069777 /nfs/dbraw/zinc/06/97/77/721069777.db2.gz BVTCCRXVZMEAHD-GJZGRUSLSA-N 1 0 381.858 2.972 20 0 GFADRO Fc1cccc2c1ncnc2N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164866662 721079131 /nfs/dbraw/zinc/07/91/31/721079131.db2.gz UPXMXOUCLMSIDX-DLBZAZTESA-N 1 0 379.439 2.644 20 0 GFADRO CSc1nc2c(c(N3C[C@@H]4CC[N@H+](Cc5cnn(C)c5)C[C@H]4C3)n1)CCCC2 ZINC001164773234 721122190 /nfs/dbraw/zinc/12/21/90/721122190.db2.gz XGYHOJXOIIZHIG-IRXDYDNUSA-N 1 0 398.580 2.769 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN([C@@H](F)Oc4cccc(Cl)n4)C[C@@H]3C2)cn1 ZINC001164766491 721133365 /nfs/dbraw/zinc/13/33/65/721133365.db2.gz LRBQUNUFWYCXOK-RVKKMQEKSA-N 1 0 379.867 2.554 20 0 GFADRO COc1cccc2ncnc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)c21 ZINC001164871633 721151811 /nfs/dbraw/zinc/15/18/11/721151811.db2.gz GBOYZKRTBZBVRB-MSOLQXFVSA-N 1 0 391.475 2.513 20 0 GFADRO Cc1nc(-c2ccncc2)cc(N2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@H]3C2)n1 ZINC001164765779 721215429 /nfs/dbraw/zinc/21/54/29/721215429.db2.gz IGGJHJSGHQWELP-PMACEKPBSA-N 1 0 389.507 2.539 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(C(F)(F)Oc4ccnc(Cl)c4)C[C@H]3C2)cn1 ZINC001164760783 721237053 /nfs/dbraw/zinc/23/70/53/721237053.db2.gz GSSOCLNSRAKEHP-LSDHHAIUSA-N 1 0 397.857 2.852 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4nccc5c6c([nH]c54)CCC6)C[C@H]3C2)cn1 ZINC001164766185 721237460 /nfs/dbraw/zinc/23/74/60/721237460.db2.gz STTMIUYUKNIYBN-IAGOWNOFSA-N 1 0 376.508 2.743 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4cncc(OCC5CCCC5)n4)C[C@@H]3C2)cn1 ZINC001164760707 721238269 /nfs/dbraw/zinc/23/82/69/721238269.db2.gz GFCOOFOYFJZXQL-UXHICEINSA-N 1 0 396.539 2.737 20 0 GFADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3ncnc(C)c3C)C2)C1 ZINC001164776398 721345819 /nfs/dbraw/zinc/34/58/19/721345819.db2.gz BBBNNXKGKUGCAA-NRFANRHFSA-N 1 0 385.512 2.817 20 0 GFADRO Cc1nc2ccccc2c(N2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)n1 ZINC001164894106 721394392 /nfs/dbraw/zinc/39/43/92/721394392.db2.gz XSHFMTYOCNXNQA-AUSIDOKSSA-N 1 0 395.551 2.704 20 0 GFADRO COc1cc(Cl)nc(N2CC[C@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)c1 ZINC001164889488 721405694 /nfs/dbraw/zinc/40/56/94/721405694.db2.gz RCXDZKWPDVFPCY-JXFKEZNVSA-N 1 0 394.947 2.509 20 0 GFADRO Cc1ccc2nc(N3CC[C@@]4(C3)CCC[C@H](C[NH+]3CCN(C)CC3)O4)ncc2c1 ZINC001164885115 721415705 /nfs/dbraw/zinc/41/57/05/721415705.db2.gz FPQRVIUEVARCGA-NFBKMPQASA-N 1 0 395.551 2.704 20 0 GFADRO Fc1cccc(O[C@H]2C[C@H]3CN(c4ccc(N5CCCCC5)nn4)CC[N@@H+]3C2)c1 ZINC001164899743 721509713 /nfs/dbraw/zinc/50/97/13/721509713.db2.gz MBVDSVVMJJUWOM-ICSRJNTNSA-N 1 0 397.498 2.948 20 0 GFADRO CCOC(=O)c1cccnc1N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164896914 721512587 /nfs/dbraw/zinc/51/25/87/721512587.db2.gz CHAFEIBBXXLRRU-FUHWJXTLSA-N 1 0 385.439 2.739 20 0 GFADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)nc3cc[nH]c32)[C@H]2CCCO[C@H]12 ZINC001164794398 721524108 /nfs/dbraw/zinc/52/41/08/721524108.db2.gz CVFUCVWBYURYRN-JZXOWHBKSA-N 1 0 398.898 2.875 20 0 GFADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2c[nH]c3ncnc(Cl)c23)[C@@H]2CCCO[C@H]12 ZINC001164809025 721534013 /nfs/dbraw/zinc/53/40/13/721534013.db2.gz UCTJUTWEESRXII-KYJSFNMBSA-N 1 0 398.898 2.826 20 0 GFADRO Fc1cccc(O[C@H]2C[C@H]3CN(c4ncnc5c4ncn5C4CC4)CC[N@@H+]3C2)c1 ZINC001164903488 721554987 /nfs/dbraw/zinc/55/49/87/721554987.db2.gz BMNVJYQYGNQCLO-WMZOPIPTSA-N 1 0 394.454 2.642 20 0 GFADRO CC(C)COc1cncc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)n1 ZINC001164907567 721555701 /nfs/dbraw/zinc/55/57/01/721555701.db2.gz OMXIZSTZWLKYKK-IEBWSBKVSA-N 1 0 386.471 2.992 20 0 GFADRO Cc1noc(-c2ccc(N3CC[N@@H+]4C[C@H](Oc5cccc(F)c5)C[C@@H]4C3)nc2)n1 ZINC001164906447 721556726 /nfs/dbraw/zinc/55/67/26/721556726.db2.gz JFBZKAITAPDURR-IEBWSBKVSA-N 1 0 395.438 2.921 20 0 GFADRO Cc1[nH]c2ncnc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@@H]43)c2c1C ZINC001164804721 721557177 /nfs/dbraw/zinc/55/71/77/721557177.db2.gz MNVJTEUMRKBOAZ-CMKODMSKSA-N 1 0 392.507 2.838 20 0 GFADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)c(F)cc2N)[C@@H]2CCCO[C@@H]12 ZINC001164803000 721569761 /nfs/dbraw/zinc/56/97/61/721569761.db2.gz JCCROBSYIQHJLH-BRWVUGGUSA-N 1 0 391.878 2.720 20 0 GFADRO COc1ccnc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)n1 ZINC001164903717 721584521 /nfs/dbraw/zinc/58/45/21/721584521.db2.gz BUJQFCKDLZJHKU-SFHVURJKSA-N 1 0 375.423 2.618 20 0 GFADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2nccc3c(Cl)ccnc32)CC1 ZINC001165009128 721731787 /nfs/dbraw/zinc/73/17/87/721731787.db2.gz UTLGPWATQRQCBC-UHFFFAOYSA-N 1 0 387.915 2.806 20 0 GFADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2ccc(-c3cccc(F)c3)nn2)CC1 ZINC001165012334 721746581 /nfs/dbraw/zinc/74/65/81/721746581.db2.gz GGOVDQFGRGJWMH-UHFFFAOYSA-N 1 0 397.498 2.806 20 0 GFADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nccc4c3NC(=O)CO4)C[C@@H]21 ZINC001165024917 721813612 /nfs/dbraw/zinc/81/36/12/721813612.db2.gz LGSISWKMCGFVRW-RYQLBKOJSA-N 1 0 393.491 2.544 20 0 GFADRO COCc1nc(OC)cc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)n1 ZINC001165021534 721830405 /nfs/dbraw/zinc/83/04/05/721830405.db2.gz FYPJLEQSRSTXPS-UHOSZYNNSA-N 1 0 397.523 2.764 20 0 GFADRO c1ccc(COC[C@@]23COC[C@@H]2CN(c2ccc(C[NH+]4CCCC4)cn2)C3)nc1 ZINC001164921752 721839760 /nfs/dbraw/zinc/83/97/60/721839760.db2.gz FRAKIYQHKSRZGW-NZQKXSOJSA-N 1 0 394.519 2.742 20 0 GFADRO CN(C)CC[N@@H+]1CC[C@H]2[C@H]1CCN2c1ncnc2c1ccn2Cc1ccccc1 ZINC001164923101 721867272 /nfs/dbraw/zinc/86/72/72/721867272.db2.gz ICRIJXWQHNJRQJ-RTWAWAEBSA-N 1 0 390.535 2.694 20 0 GFADRO C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2c1nccc(SCc2ccccc2)n1 ZINC001164934358 721886060 /nfs/dbraw/zinc/88/60/60/721886060.db2.gz QRTMAOUBCXWFMQ-OALUTQOASA-N 1 0 383.565 2.984 20 0 GFADRO C[NH+](C)[C@H]1CCCN(C(F)(F)c2nc(Cl)ncc2C(=O)OCC2CC2)C1 ZINC001165040468 721889717 /nfs/dbraw/zinc/88/97/17/721889717.db2.gz WVLIJHVJWWEEEB-LBPRGKRZSA-N 1 0 388.846 2.772 20 0 GFADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4ncnc5c4ncn5C)CC3)C2)cc1 ZINC001164939963 721922000 /nfs/dbraw/zinc/92/20/00/721922000.db2.gz XMNVBVGOLMTOGO-UHFFFAOYSA-N 1 0 392.507 2.543 20 0 GFADRO CC(=O)N1CC[C@@]2(c3ccccc3)CCN(c3cc(C[NH+](C)C)ccn3)C[C@@H]12 ZINC001164949394 721967704 /nfs/dbraw/zinc/96/77/04/721967704.db2.gz XMTSIZYGJPJXDF-FYYLOGMGSA-N 1 0 378.520 2.912 20 0 GFADRO CC(C)Oc1cc[nH+]c(N2CCC3(CC2)C(=O)NCCN3Cc2ccccc2)c1 ZINC001164948283 721974755 /nfs/dbraw/zinc/97/47/55/721974755.db2.gz WTVLDRVUKJHPDF-UHFFFAOYSA-N 1 0 394.519 2.840 20 0 GFADRO O=S(=O)(c1ccc(N2CCCC[C@@H]2CC[NH+]2CCCC2)nc1)N1CCCC1 ZINC001165047362 721975311 /nfs/dbraw/zinc/97/53/11/721975311.db2.gz FRAROLDGHOANTE-GOSISDBHSA-N 1 0 392.569 2.711 20 0 GFADRO CCOC(=O)c1ccc2ncnc(N3CC[NH+](CCc4ccccn4)CC3)c2c1 ZINC001165056316 722012923 /nfs/dbraw/zinc/01/29/23/722012923.db2.gz SMDICULCVQJLKY-UHFFFAOYSA-N 1 0 391.475 2.566 20 0 GFADRO COC(=O)c1cnc(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)c(F)c1 ZINC001164952545 722016685 /nfs/dbraw/zinc/01/66/85/722016685.db2.gz NIKNLAFIGVIGAK-UHFFFAOYSA-N 1 0 384.455 2.895 20 0 GFADRO Cc1cc(Cl)nc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)n1 ZINC001164959446 722052196 /nfs/dbraw/zinc/05/21/96/722052196.db2.gz JIIAOMOORDQNBK-UHFFFAOYSA-N 1 0 387.915 2.952 20 0 GFADRO c1cnc2c(c1)ncnc2N1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001164959487 722053587 /nfs/dbraw/zinc/05/35/87/722053587.db2.gz LDSBESDSDIBKDB-UHFFFAOYSA-N 1 0 390.491 2.539 20 0 GFADRO CCOC(=O)c1c(Cl)cc(C)nc1N1C[C@@H]2C[N@@H+](CC3CC3)C[C@H](C1)O2 ZINC001164965764 722067738 /nfs/dbraw/zinc/06/77/38/722067738.db2.gz MDDFGADAUZVKPT-GASCZTMLSA-N 1 0 379.888 2.520 20 0 GFADRO Clc1cnc(Cl)nc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164976343 722102018 /nfs/dbraw/zinc/10/20/18/722102018.db2.gz CQHZUGBEWPLFQP-HOCLYGCPSA-N 1 0 394.306 2.906 20 0 GFADRO Clc1nc2ccoc2c(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164981452 722104438 /nfs/dbraw/zinc/10/44/38/722104438.db2.gz LPXLNSWLDKLMJG-DOTOQJQBSA-N 1 0 399.882 2.999 20 0 GFADRO Fc1cnc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c(Cl)c1 ZINC001164970888 722110589 /nfs/dbraw/zinc/11/05/89/722110589.db2.gz ALRHELHMYWXWPE-QAPCUYQASA-N 1 0 376.863 2.996 20 0 GFADRO Fc1cnc(Cl)cc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164979115 722113314 /nfs/dbraw/zinc/11/33/14/722113314.db2.gz OZQUMHGUCBEKCT-YJBOKZPZSA-N 1 0 376.863 2.996 20 0 GFADRO Fc1ccc2nc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)ncc2c1 ZINC001164977955 722132357 /nfs/dbraw/zinc/13/23/57/722132357.db2.gz IUJDNNYNSDQARG-UTKZUKDTSA-N 1 0 393.466 2.891 20 0 GFADRO COc1ccnc(Cl)c1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164982075 722151010 /nfs/dbraw/zinc/15/10/10/722151010.db2.gz QXOVAIGSUNHWHA-SJLPKXTDSA-N 1 0 388.899 2.866 20 0 GFADRO CCc1cc(Cl)nc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164977220 722152784 /nfs/dbraw/zinc/15/27/84/722152784.db2.gz YGAIECARADJZDZ-SJLPKXTDSA-N 1 0 387.915 2.815 20 0 GFADRO NC(=O)c1c(Cl)ncnc1N1CCC[C@@]2(CC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001164995199 722202465 /nfs/dbraw/zinc/20/24/65/722202465.db2.gz LLSTUXOZAUACTB-LJQANCHMSA-N 1 0 389.862 2.613 20 0 GFADRO C[NH+](C)CCOCc1ncn2c1CN([C@@H](F)Oc1cccc(Cl)n1)CCC2 ZINC001165002940 722253335 /nfs/dbraw/zinc/25/33/35/722253335.db2.gz XTNJKGUXPJQCCE-GOSISDBHSA-N 1 0 397.882 2.548 20 0 GFADRO C[NH+](C)CCOCc1ncn2c1CN(c1ccc(-c3ccncc3)cn1)CCC2 ZINC001165002911 722256086 /nfs/dbraw/zinc/25/60/86/722256086.db2.gz XGCPKCCDMBANRY-UHFFFAOYSA-N 1 0 392.507 2.829 20 0 GFADRO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(C(=O)c2ccc(SC(F)F)cc2)CC1 ZINC000359960680 206273535 /nfs/dbraw/zinc/27/35/35/206273535.db2.gz PLFQWSIUTVMYFC-HNNXBMFYSA-N 1 0 383.464 2.556 20 0 GFADRO CC(C)[N@@H+]1CCc2nc(CN3CCN(Cc4cccc(O)c4)CC3)sc2C1 ZINC000359960363 206273728 /nfs/dbraw/zinc/27/37/28/206273728.db2.gz ONAFSNDLTOJBDP-UHFFFAOYSA-N 1 0 386.565 2.933 20 0 GFADRO CN(Cc1cnn(C)c1)C(=O)N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000359995580 206276529 /nfs/dbraw/zinc/27/65/29/206276529.db2.gz OUYBYHCWXVAIJU-PCCBWWKXSA-N 1 0 381.524 2.862 20 0 GFADRO Cc1c(C(=O)Nc2ccccc2C(=O)N2CCC[N@@H+](C)CC2)sc2nccn12 ZINC000359975504 206275104 /nfs/dbraw/zinc/27/51/04/206275104.db2.gz DTXZXYXRMLCMIC-UHFFFAOYSA-N 1 0 397.504 2.734 20 0 GFADRO CO[C@@H]1[C@H](C)[C@@H](NC(=O)c2ccc(C[NH+]3CCC(CO)CC3)cc2)C12CCC2 ZINC000359995271 206277817 /nfs/dbraw/zinc/27/78/17/206277817.db2.gz CTPZAKBVKSDAER-MAODMQOUSA-N 1 0 386.536 2.824 20 0 GFADRO NC(=O)NC(=O)OCCC[NH2+][C@@H](c1cc(Cl)ccc1Cl)[C@H]1CCOC1 ZINC000359996869 206276902 /nfs/dbraw/zinc/27/69/02/206276902.db2.gz SFJFCSQNEQEXSY-IINYFYTJSA-N 1 0 390.267 2.856 20 0 GFADRO COc1ccc(C[NH+]2CCC3(CC2)CNC(=O)c2ccccc2O3)c(OC)c1 ZINC000019552242 207132955 /nfs/dbraw/zinc/13/29/55/207132955.db2.gz FUVSNJYAPNHJGF-UHFFFAOYSA-N 1 0 382.460 2.861 20 0 GFADRO C[C@@H](NC(=O)c1ccc(F)cc1I)C1CC[NH+](C)CC1 ZINC000396508743 563531097 /nfs/dbraw/zinc/53/10/97/563531097.db2.gz ZDKZSGAOTGFENL-SNVBAGLBSA-N 1 0 390.240 2.890 20 0 GFADRO CC[C@H](C(=O)NC[C@@H](CO)Cc1ccc(Br)cc1)[NH+](CC)CC ZINC000430135883 563535477 /nfs/dbraw/zinc/53/54/77/563535477.db2.gz HDDIGRYKDDYTBT-DOTOQJQBSA-N 1 0 385.346 2.837 20 0 GFADRO C[C@H]1CCCN(C(=O)c2csc(I)c2)[C@@H]1CC[NH3+] ZINC000404359231 563537044 /nfs/dbraw/zinc/53/70/44/563537044.db2.gz NDXWKMIBQZAOJK-GXSJLCMTSA-N 1 0 378.279 2.942 20 0 GFADRO COCCN1C(=O)C[C@@H](C[NH2+]Cc2cccc3[nH]ccc32)[C@@H]1c1cnn(C)c1C ZINC000275373880 523798594 /nfs/dbraw/zinc/79/85/94/523798594.db2.gz XTHMGQFBVADRAC-HTAPYJJXSA-N 1 0 395.507 2.536 20 0 GFADRO CC[C@@H]1CN(C(=O)c2ccc(F)cc2I)CC[C@H]1[NH3+] ZINC000233957009 553067451 /nfs/dbraw/zinc/06/74/51/553067451.db2.gz BSRZGGYIPLXMAH-NOZJJQNGSA-N 1 0 376.213 2.630 20 0 GFADRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)c1ccc(Cl)c(I)c1 ZINC000261858986 553160886 /nfs/dbraw/zinc/16/08/86/553160886.db2.gz QXZLYITWDCYKPD-BDAKNGLRSA-N 1 0 378.641 2.754 20 0 GFADRO CC[N@H+](C)CCNC(=O)c1cnc2c(Cl)cc(Br)cc2c1O ZINC000430644653 563546550 /nfs/dbraw/zinc/54/65/50/563546550.db2.gz AFEUHSFUVLDKAG-UHFFFAOYSA-N 1 0 386.677 2.626 20 0 GFADRO C[C@H]1C[N@H+](C[C@H](O)COc2cc(F)cc(Br)c2)CC(C)(C)O1 ZINC000439456040 563726571 /nfs/dbraw/zinc/72/65/71/563726571.db2.gz WZMLEOCMWWLALK-FZMZJTMJSA-N 1 0 376.266 2.827 20 0 GFADRO O=C(Nc1ccc(I)cc1)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000020478008 551115581 /nfs/dbraw/zinc/11/55/81/551115581.db2.gz GTTFXTOGAQLPNU-HNNXBMFYSA-N 1 0 378.213 2.944 20 0 GFADRO COc1ccc(C[NH2+]Cc2ccnc(N3CCOCC3)c2)cc1Br ZINC000042226067 551139217 /nfs/dbraw/zinc/13/92/17/551139217.db2.gz ZOORATAQWLVIOB-UHFFFAOYSA-N 1 0 392.297 2.979 20 0 GFADRO CC(C)C[C@@H](CNC(=O)[C@@H](C)NC(=O)c1ccc(Br)cc1)[NH+](C)C ZINC000042583786 551139750 /nfs/dbraw/zinc/13/97/50/551139750.db2.gz CLXWMYYUCPLYQS-CJNGLKHVSA-N 1 0 398.345 2.660 20 0 GFADRO C[C@@H]1C[N@@H+](CCCNC(=O)NCc2csc(Br)c2)C[C@H](C)O1 ZINC000048458171 551156387 /nfs/dbraw/zinc/15/63/87/551156387.db2.gz BPDZWADQGLJGNC-TXEJJXNPSA-N 1 0 390.347 2.809 20 0 GFADRO COc1ccc(Br)cc1CNC(=O)NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000050060035 551160205 /nfs/dbraw/zinc/16/02/05/551160205.db2.gz NLJAIMUQCUWYSC-ZDUSSCGKSA-N 1 0 384.318 2.987 20 0 GFADRO C[C@@H](CNS(=O)(=O)c1ccc(OC(F)F)c(Cl)c1)C[NH+]1CCCC1 ZINC000055265386 551172388 /nfs/dbraw/zinc/17/23/88/551172388.db2.gz MHFGDFKHHKGZAQ-NSHDSACASA-N 1 0 382.860 2.952 20 0 GFADRO C[NH+](C)CCCNC(=O)CCCOc1ccc(I)cc1 ZINC000056967388 551178787 /nfs/dbraw/zinc/17/87/87/551178787.db2.gz PHQWSHPOJCDAOH-UHFFFAOYSA-N 1 0 390.265 2.518 20 0 GFADRO Cc1c(C(=O)N(CC[NH+](C)C)Cc2ccc(Br)cc2)cnn1C ZINC000056996949 551179215 /nfs/dbraw/zinc/17/92/15/551179215.db2.gz MJCKVPINNMUCGV-UHFFFAOYSA-N 1 0 379.302 2.695 20 0 GFADRO C[C@@H](C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000058271200 551182423 /nfs/dbraw/zinc/18/24/23/551182423.db2.gz YHFFNYAXVVVRTA-OLZOCXBDSA-N 1 0 387.933 2.649 20 0 GFADRO CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H](C)NC(=O)c2cccc(Cl)c2Cl)C1 ZINC000058274974 551182645 /nfs/dbraw/zinc/18/26/45/551182645.db2.gz OOZSXHJAFQHJJW-CHWSQXEVSA-N 1 0 386.323 2.960 20 0 GFADRO COc1cc(Br)c(C[NH2+]CC(C)(C)N2CCOCC2)cc1OC ZINC000060818305 551183822 /nfs/dbraw/zinc/18/38/22/551183822.db2.gz XHXBNPQNEQXRAP-UHFFFAOYSA-N 1 0 387.318 2.667 20 0 GFADRO COCc1nc(C(=O)Nc2cc(Cl)ccc2N2CC[NH+](C)CC2)cs1 ZINC000065049960 551185349 /nfs/dbraw/zinc/18/53/49/551185349.db2.gz RZSNYBGMWFWMEC-UHFFFAOYSA-N 1 0 380.901 2.947 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)c1[nH]nc(-c2ccccc2)c1Br)C1CC1 ZINC000068437304 551191816 /nfs/dbraw/zinc/19/18/16/551191816.db2.gz BXQXILHKESOFGQ-ZDUSSCGKSA-N 1 0 377.286 2.909 20 0 GFADRO Brc1ccccc1OCCN1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000093791136 551195525 /nfs/dbraw/zinc/19/55/25/551195525.db2.gz JVQGFPNWSWNEMD-MRXNPFEDSA-N 1 0 383.330 2.872 20 0 GFADRO C[C@H]1C[N@@H+](C2CCN(C(=O)NCc3ccc(Br)cc3)CC2)CCO1 ZINC000106578055 551200425 /nfs/dbraw/zinc/20/04/25/551200425.db2.gz POQQGENMVHRLDR-AWEZNQCLSA-N 1 0 396.329 2.844 20 0 GFADRO Cc1c(Cl)cccc1S(=O)(=O)N(CC[NH+](C)C)CC(=O)OC(C)(C)C ZINC000110096518 551202642 /nfs/dbraw/zinc/20/26/42/551202642.db2.gz GYMXRMYYDHIJSR-UHFFFAOYSA-N 1 0 390.933 2.542 20 0 GFADRO C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CCCO[C@@H]1CCOC1 ZINC000119161067 551215764 /nfs/dbraw/zinc/21/57/64/551215764.db2.gz PEIUCAGXDCAJLS-XJKSGUPXSA-N 1 0 385.302 2.951 20 0 GFADRO C[C@@H]([NH2+]C[C@]1(C)CCCS1)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000120410185 551221209 /nfs/dbraw/zinc/22/12/09/551221209.db2.gz ZLKJQNRWKIXKCA-QAPCUYQASA-N 1 0 384.567 2.644 20 0 GFADRO Cc1ccc(S(=O)(=O)NCCC2CC[NH+](C)CC2)c(Br)c1 ZINC000120950640 551223138 /nfs/dbraw/zinc/22/31/38/551223138.db2.gz UBFUTOXXAZVSDO-UHFFFAOYSA-N 1 0 375.332 2.768 20 0 GFADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)C[C@@H](C)c1ccc(Br)cc1 ZINC000120955098 551223290 /nfs/dbraw/zinc/22/32/90/551223290.db2.gz VTFWSNYDKMVBME-HUUCEWRRSA-N 1 0 382.346 2.695 20 0 GFADRO CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)Nc1cccc(C)c1Br ZINC000121046118 551225949 /nfs/dbraw/zinc/22/59/49/551225949.db2.gz YGGMRHBQGITQSJ-ZDUSSCGKSA-N 1 0 382.302 2.687 20 0 GFADRO C[C@@H](CNC(=O)Cc1ccccc1I)C[NH+]1CCCC1 ZINC000121111279 551227306 /nfs/dbraw/zinc/22/73/06/551227306.db2.gz SKOMAVRIPSOXLL-ZDUSSCGKSA-N 1 0 386.277 2.682 20 0 GFADRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1ccc(I)c(F)c1 ZINC000121164574 551228433 /nfs/dbraw/zinc/22/84/33/551228433.db2.gz SDANFLCBPOXKHC-YGRLFVJLSA-N 1 0 390.240 2.843 20 0 GFADRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1ccc(I)c(F)c1 ZINC000121164735 551228817 /nfs/dbraw/zinc/22/88/17/551228817.db2.gz SDANFLCBPOXKHC-HZMBPMFUSA-N 1 0 390.240 2.843 20 0 GFADRO CN1CC[NH+]([C@H]2CCCCN(C(=O)c3cc(Cl)c(N)c(Cl)c3)C2)CC1 ZINC000121417425 551234432 /nfs/dbraw/zinc/23/44/32/551234432.db2.gz DJLRKSQGCVZULV-AWEZNQCLSA-N 1 0 385.339 2.818 20 0 GFADRO C[N@H+](CCOc1c(Cl)cccc1Cl)C1CCN(S(C)(=O)=O)CC1 ZINC000121669585 551238993 /nfs/dbraw/zinc/23/89/93/551238993.db2.gz HGJYRYUHTPTTQQ-UHFFFAOYSA-N 1 0 381.325 2.728 20 0 GFADRO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)c1cn(-c2ccc(Br)cc2)cn1 ZINC000121705675 551240344 /nfs/dbraw/zinc/24/03/44/551240344.db2.gz HEHKSAYOPDFJBI-CYBMUJFWSA-N 1 0 389.297 2.849 20 0 GFADRO CC[NH+](CC)[C@@H]1CCN(S(=O)(=O)c2cc(C)c(Br)s2)C1 ZINC000122040428 551293861 /nfs/dbraw/zinc/29/38/61/551293861.db2.gz SAGXDKLQWMGMPS-LLVKDONJSA-N 1 0 381.361 2.924 20 0 GFADRO C[NH+](C)[C@@H]1CCCN(C(=O)c2cc(I)c(F)cc2F)C1 ZINC000122071603 551294010 /nfs/dbraw/zinc/29/40/10/551294010.db2.gz OEDCOITUTUJDJV-SECBINFHSA-N 1 0 394.203 2.736 20 0 GFADRO Cc1sc(Br)cc1S(=O)(=O)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000122274950 551296830 /nfs/dbraw/zinc/29/68/30/551296830.db2.gz KERXHCMJHYJEJD-SNVBAGLBSA-N 1 0 379.345 2.772 20 0 GFADRO Cc1cc(NC(=O)C(=O)NC[C@@H](C)C[NH+]2CCCC2)ccc1Br ZINC000122411246 551297720 /nfs/dbraw/zinc/29/77/20/551297720.db2.gz RJSWVCVQWWHCPS-GFCCVEGCSA-N 1 0 382.302 2.544 20 0 GFADRO Cc1cc(C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)ccc1Br ZINC000122483375 551298157 /nfs/dbraw/zinc/29/81/57/551298157.db2.gz QPPNVQVJRFAVHJ-AWEZNQCLSA-N 1 0 381.314 2.988 20 0 GFADRO CC[NH+]1CCN([C@H]2CCN(CC(=O)Nc3ccc(Cl)cc3Cl)C2)CC1 ZINC000122735298 551301347 /nfs/dbraw/zinc/30/13/47/551301347.db2.gz VFJQYOCZYDEGGO-HNNXBMFYSA-N 1 0 385.339 2.644 20 0 GFADRO COC[C@@](C)(CC(=O)OC)[NH2+]CC(=O)N[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000123354218 551305556 /nfs/dbraw/zinc/30/55/56/551305556.db2.gz MEXPXNDOLHJSAR-PIGZYNQJSA-N 1 0 391.295 2.728 20 0 GFADRO Cc1cc(C[N@@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)sc1Br ZINC000124473380 551315257 /nfs/dbraw/zinc/31/52/57/551315257.db2.gz QOHCCNREDPMEOM-ZDUSSCGKSA-N 1 0 387.343 2.890 20 0 GFADRO C[C@@H]1CCC[C@](CNC(=O)CCn2cc(Br)ccc2=O)([NH+](C)C)C1 ZINC000124490181 551315430 /nfs/dbraw/zinc/31/54/30/551315430.db2.gz SVOCDHIIBOKFLJ-KDOFPFPSSA-N 1 0 398.345 2.628 20 0 GFADRO C[C@H](CS(C)(=O)=O)[NH2+]Cc1ccc(Br)c(Br)c1 ZINC000124564433 551315693 /nfs/dbraw/zinc/31/56/93/551315693.db2.gz RZBJZZVSODLAKM-MRVPVSSYSA-N 1 0 385.121 2.734 20 0 GFADRO C[C@H]1C[C@@H](N(C)C(=O)Cc2ccccc2I)CC[N@@H+]1C ZINC000124887388 551318599 /nfs/dbraw/zinc/31/85/99/551318599.db2.gz HQENBBZRNDEFOP-JSGCOSHPSA-N 1 0 386.277 2.775 20 0 GFADRO O=C1C[C@@H]([C@@H]2CCCC[N@H+]2Cc2cc3c(cc2Br)OCO3)CN1 ZINC000125145338 551319900 /nfs/dbraw/zinc/31/99/00/551319900.db2.gz GPIWRZRCFOBUDM-RISCZKNCSA-N 1 0 381.270 2.668 20 0 GFADRO Cc1cc(Br)cc(C(=O)NCC2CC[NH+](CCN(C)C)CC2)c1 ZINC000126374514 551328948 /nfs/dbraw/zinc/32/89/48/551328948.db2.gz UQJRIAOREMKYQB-UHFFFAOYSA-N 1 0 382.346 2.761 20 0 GFADRO C[C@@H](C[S@@](C)=O)[N@H+](C)C[C@H](O)COc1ccc(Cl)cc1Br ZINC000126576963 551331491 /nfs/dbraw/zinc/33/14/91/551331491.db2.gz JUPXPDMIKOHPON-FPQVQZPGSA-N 1 0 398.750 2.541 20 0 GFADRO Cc1[nH]c(=O)c(C(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)cc1Br ZINC000126937858 551334853 /nfs/dbraw/zinc/33/48/53/551334853.db2.gz ZDQHMRPDKAESPQ-CYBMUJFWSA-N 1 0 382.302 2.949 20 0 GFADRO C[C@H](CNC(=O)c1cc(Cl)cc(C(F)(F)F)c1)C[NH+]1CCN(C)CC1 ZINC000127123359 551336807 /nfs/dbraw/zinc/33/68/07/551336807.db2.gz CHMXBORLPPSSKJ-GFCCVEGCSA-N 1 0 377.838 2.972 20 0 GFADRO NC(=O)N1CCC([NH2+]C2CCN(Cc3ccc(Br)cc3)CC2)CC1 ZINC000127481693 551341564 /nfs/dbraw/zinc/34/15/64/551341564.db2.gz SZXFFIHEXHSKLA-UHFFFAOYSA-N 1 0 395.345 2.546 20 0 GFADRO CCO[C@H](CC[NH+](C)C)CNC(=O)c1c(F)cc(Br)cc1F ZINC000127545822 551341937 /nfs/dbraw/zinc/34/19/37/551341937.db2.gz SKCMZBIMVSAXOP-LLVKDONJSA-N 1 0 379.245 2.814 20 0 GFADRO C[NH+](C)CCCNC(=O)c1cccc(NC(=O)c2ccc(Br)o2)c1 ZINC000128334060 551349114 /nfs/dbraw/zinc/34/91/14/551349114.db2.gz PXQRJOLVRUZPAG-UHFFFAOYSA-N 1 0 394.269 2.976 20 0 GFADRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)Cc1cc(Br)ccc1F ZINC000129351700 551356351 /nfs/dbraw/zinc/35/63/51/551356351.db2.gz LUHPSXDFAYTQGN-HNNXBMFYSA-N 1 0 387.293 2.700 20 0 GFADRO O=C(NC[C@H]1CCC[NH2+]C1)[C@@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 ZINC000129749580 551359698 /nfs/dbraw/zinc/35/96/98/551359698.db2.gz VVOQUSSYQNHLKE-LRDDRELGSA-N 1 0 384.307 2.714 20 0 GFADRO O=C(CC[N@@H+]1CCO[C@@H]([C@@H]2CCCO2)C1)Nc1cccc(Br)c1 ZINC000129969783 551360606 /nfs/dbraw/zinc/36/06/06/551360606.db2.gz PWQUKNSGXVKCTD-JKSUJKDBSA-N 1 0 383.286 2.658 20 0 GFADRO CC[N@@H+]1CC[C@@H](CNC(=O)c2cc(F)c(F)cc2I)C1 ZINC000129970186 551360630 /nfs/dbraw/zinc/36/06/30/551360630.db2.gz SNGDXIXSEQPIPV-VIFPVBQESA-N 1 0 394.203 2.641 20 0 GFADRO C[NH+](C)C[C@H]1CCN(C(=O)N[C@H]2CCN(c3ccccc3Br)C2)C1 ZINC000129974123 551360733 /nfs/dbraw/zinc/36/07/33/551360733.db2.gz APUUTRSNJNLEGT-CABCVRRESA-N 1 0 395.345 2.621 20 0 GFADRO NC(=O)[C@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000130616338 551367491 /nfs/dbraw/zinc/36/74/91/551367491.db2.gz MKNRGKKEGBOJAX-CMPLNLGQSA-N 1 0 375.803 2.514 20 0 GFADRO COCC[C@H](Cc1cccc(Br)c1)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000130678118 551367866 /nfs/dbraw/zinc/36/78/66/551367866.db2.gz MZWTZCMAOLZGCR-WBVHZDCISA-N 1 0 383.330 2.903 20 0 GFADRO CS(=O)(=O)c1csc(C(=O)NC[C@H]2CCC[N@@H+]2CC2CCCCC2)c1 ZINC000130839701 551369887 /nfs/dbraw/zinc/36/98/87/551369887.db2.gz FHXWBMCNIRWLKF-OAHLLOKOSA-N 1 0 384.567 2.926 20 0 GFADRO Cc1csc(N2CCC([NH2+]Cc3cccc(CS(C)(=O)=O)c3)CC2)n1 ZINC000131561226 551374799 /nfs/dbraw/zinc/37/47/99/551374799.db2.gz CKRSJYLVSILILM-UHFFFAOYSA-N 1 0 379.551 2.755 20 0 GFADRO COCC[C@@H](Cc1cccc(Br)c1)C(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000131813176 551375808 /nfs/dbraw/zinc/37/58/08/551375808.db2.gz HTZARLVVKXDLLM-HOTGVXAUSA-N 1 0 383.330 2.712 20 0 GFADRO C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CCNC(=O)C(C)(C)C ZINC000133575416 551383828 /nfs/dbraw/zinc/38/38/28/551383828.db2.gz ASXNOSXOGVXOCJ-LBPRGKRZSA-N 1 0 384.318 2.918 20 0 GFADRO C[N@@H+]1CCC[C@H]2CN(CC(=O)Nc3ccc(Br)cc3F)CC[C@@H]21 ZINC000139972265 551392808 /nfs/dbraw/zinc/39/28/08/551392808.db2.gz VRCJYTAEZAAGRB-LRDDRELGSA-N 1 0 384.293 2.943 20 0 GFADRO Cc1ncsc1C(=O)N1CCCN(C[C@H](O)c2ccc(Cl)cc2)CC1 ZINC000141894849 551394926 /nfs/dbraw/zinc/39/49/26/551394926.db2.gz FGYZTZXTFJLVSR-INIZCTEOSA-N 1 0 379.913 2.986 20 0 GFADRO O=S(=O)(NC[C@H]1CN(Cc2ccccc2)CCO1)c1ccc(Cl)s1 ZINC000143122159 551395563 /nfs/dbraw/zinc/39/55/63/551395563.db2.gz UMEBQJJZUZUSHZ-AWEZNQCLSA-N 1 0 386.926 2.581 20 0 GFADRO O=C(N[C@H]1CC[N@@H+](C2CC2)C1)C1CCN(C(=O)c2ccc(Cl)s2)CC1 ZINC000144267699 551395695 /nfs/dbraw/zinc/39/56/95/551395695.db2.gz XSFWQNNMZGLTFV-ZDUSSCGKSA-N 1 0 381.929 2.607 20 0 GFADRO C[C@H](NC(=O)N1CC[NH+](CC(C)(C)O)CC1)c1cccc(Br)c1 ZINC000151245709 551410005 /nfs/dbraw/zinc/41/00/05/551410005.db2.gz ACZDIKKDZNUVBN-ZDUSSCGKSA-N 1 0 384.318 2.608 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)Cc2cc3c(cc2Br)OCCO3)C[N@@H+]1C1CC1 ZINC000151311669 551411406 /nfs/dbraw/zinc/41/14/06/551411406.db2.gz UNBFWVICWKYQAB-YPMHNXCESA-N 1 0 395.297 2.504 20 0 GFADRO Cc1ccc(I)cc1C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000151364881 551411873 /nfs/dbraw/zinc/41/18/73/551411873.db2.gz SENIMSPYBYTWNA-UHFFFAOYSA-N 1 0 398.248 2.610 20 0 GFADRO O=S(=O)(c1ccc(Br)s1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000151603175 551417642 /nfs/dbraw/zinc/41/76/42/551417642.db2.gz FWSXLHWNNNBSGU-NSHDSACASA-N 1 0 379.345 2.617 20 0 GFADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)Nc1ccc(Cl)c(Br)c1 ZINC000151660173 551419117 /nfs/dbraw/zinc/41/91/17/551419117.db2.gz BTVBWJHPZKQOHD-NSHDSACASA-N 1 0 389.725 2.860 20 0 GFADRO CCN(CCC[NH2+][C@H]1CCc2c1cccc2Br)S(C)(=O)=O ZINC000151824243 551422004 /nfs/dbraw/zinc/42/20/04/551422004.db2.gz CUYYOCCARZEENC-HNNXBMFYSA-N 1 0 375.332 2.698 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000151870160 551422300 /nfs/dbraw/zinc/42/23/00/551422300.db2.gz YDNSKFIHXJWAFG-OCCSQVGLSA-N 1 0 394.313 2.746 20 0 GFADRO CC(=O)NCc1ccc(-c2nc(NC(=O)C[C@H]3CCC[NH2+]3)sc2C)s1 ZINC000151928245 551423722 /nfs/dbraw/zinc/42/37/22/551423722.db2.gz PCUGNKJRWRSDHX-GFCCVEGCSA-N 1 0 378.523 2.897 20 0 GFADRO COc1ccsc1S(=O)(=O)NC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000152012582 551424891 /nfs/dbraw/zinc/42/48/91/551424891.db2.gz MNNVTAASZOLGQY-HOCLYGCPSA-N 1 0 380.535 2.946 20 0 GFADRO Cc1cccc([C@@H](C)[NH2+]Cc2ccc(S(=O)(=O)N3CCOCC3)s2)c1 ZINC000152151460 551427347 /nfs/dbraw/zinc/42/73/47/551427347.db2.gz NUWFORYCXLMWHF-OAHLLOKOSA-N 1 0 380.535 2.928 20 0 GFADRO COCCC[N@H+](C)CCNC(=O)CSc1ccc(Br)cc1C ZINC000152514218 551434617 /nfs/dbraw/zinc/43/46/17/551434617.db2.gz NZVTYIMJQPPJRF-UHFFFAOYSA-N 1 0 389.359 2.934 20 0 GFADRO C[NH+](C)C[C@@](C)(O)CNC(=O)C1(c2ccc(Br)cc2)CCCC1 ZINC000152517938 551434876 /nfs/dbraw/zinc/43/48/76/551434876.db2.gz BBXIOHXWACHBBM-KRWDZBQOSA-N 1 0 383.330 2.690 20 0 GFADRO O=C(NC1CCN(Cc2ccc(Br)cc2)CC1)N1CCC[C@H]1CO ZINC000152563275 551435365 /nfs/dbraw/zinc/43/53/65/551435365.db2.gz ZGIISRFUGJCATK-KRWDZBQOSA-N 1 0 396.329 2.580 20 0 GFADRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2S(=O)(=O)Cc2ccc(Br)cc2)C1 ZINC000152852284 551441344 /nfs/dbraw/zinc/44/13/44/551441344.db2.gz JFMIADBWRLDVEX-GDBMZVCRSA-N 1 0 387.343 2.695 20 0 GFADRO Cc1sc(Br)cc1S(=O)(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000152913743 551442649 /nfs/dbraw/zinc/44/26/49/551442649.db2.gz HIBZMIBOFWIBLQ-RYUDHWBXSA-N 1 0 393.372 2.924 20 0 GFADRO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)CN1CCC[C@H]1C[C@@H](C)O ZINC000152991795 551444061 /nfs/dbraw/zinc/44/40/61/551444061.db2.gz DWCOHOSPQRIELQ-PWSUYJOCSA-N 1 0 389.279 2.954 20 0 GFADRO C[C@H]([NH2+]CCOc1ccc(S(C)(=O)=O)cc1)c1ccc([S@](C)=O)cc1 ZINC000153118739 551446608 /nfs/dbraw/zinc/44/66/08/551446608.db2.gz KNJJLMFDRCYKAK-LFPIHBKWSA-N 1 0 381.519 2.557 20 0 GFADRO Cc1ccc(Br)c(NC(=O)C(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)c1 ZINC000153136029 551447158 /nfs/dbraw/zinc/44/71/58/551447158.db2.gz YKIWTZIKAWWIPI-AWEZNQCLSA-N 1 0 396.329 2.933 20 0 GFADRO C[N@@H+]1CCC[C@H](CNC(=O)c2ccc(F)c(I)c2)C1 ZINC000153468982 551453325 /nfs/dbraw/zinc/45/33/25/551453325.db2.gz CUEAWNIXDAFNMA-SNVBAGLBSA-N 1 0 376.213 2.502 20 0 GFADRO C[C@H](CC(=O)N1CC[NH+](CC(C)(C)O)CC1)c1ccc(Br)cc1 ZINC000153687664 551458593 /nfs/dbraw/zinc/45/85/93/551458593.db2.gz KGLXJHKZGNOREQ-CQSZACIVSA-N 1 0 383.330 2.858 20 0 GFADRO CCC[C@H]1CN(C(=O)c2cc(Br)ccc2O)CC[N@@H+]1CCOC ZINC000153693842 551458626 /nfs/dbraw/zinc/45/86/26/551458626.db2.gz WWNKSUGZVBTJEN-AWEZNQCLSA-N 1 0 385.302 2.728 20 0 GFADRO CCOc1cc(C[N@H+](C)C2CC2)cc(Br)c1OCC(=O)N(C)C ZINC000153790071 551460623 /nfs/dbraw/zinc/46/06/23/551460623.db2.gz AONFBTIBFUDOER-UHFFFAOYSA-N 1 0 385.302 2.909 20 0 GFADRO COC[C@@H](O)CC[NH2+]Cc1cc(Br)cc(Br)c1OC ZINC000153772694 551460751 /nfs/dbraw/zinc/46/07/51/551460751.db2.gz MRJBQBSGZLVOCZ-NSHDSACASA-N 1 0 397.107 2.707 20 0 GFADRO CCO[C@H](CC[NH+](C)C)CNC(=O)Cc1cc(F)ccc1Br ZINC000154062523 551466464 /nfs/dbraw/zinc/46/64/64/551466464.db2.gz IBTIYZSZQGFTBP-CQSZACIVSA-N 1 0 375.282 2.604 20 0 GFADRO CS[C@H](CO)[C@H](C)[NH2+][C@H](C)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000154344933 551472797 /nfs/dbraw/zinc/47/27/97/551472797.db2.gz LGQIQBXYUTUBJW-RVKKMQEKSA-N 1 0 386.583 2.624 20 0 GFADRO CC[NH+](CC)[C@H]1CCN(S(=O)(=O)c2ccc(Br)cc2F)C1 ZINC000154526685 551476900 /nfs/dbraw/zinc/47/69/00/551476900.db2.gz ZZFRNHXQEQAEDO-LBPRGKRZSA-N 1 0 379.295 2.693 20 0 GFADRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3cc(Br)c4c(c3)OCCO4)CC[C@@H]21 ZINC000154609657 551478763 /nfs/dbraw/zinc/47/87/63/551478763.db2.gz KVZPAJHOWIBYTL-WFASDCNBSA-N 1 0 395.297 2.777 20 0 GFADRO CCN(CC)S(=O)(=O)CC[NH2+][C@@H](C)c1ccc(F)c(Br)c1 ZINC000154753797 551482223 /nfs/dbraw/zinc/48/22/23/551482223.db2.gz OSBMWSBMMWFSST-NSHDSACASA-N 1 0 381.311 2.910 20 0 GFADRO COCC[NH2+]CC(=O)Nc1cc(-c2cc(Br)ccc2Cl)[nH]n1 ZINC000154850646 551484413 /nfs/dbraw/zinc/48/44/13/551484413.db2.gz AFEBCFNALMHZNP-UHFFFAOYSA-N 1 0 387.665 2.667 20 0 GFADRO O=C(C[NH+]1CCC(OCCCO)CC1)NCCc1cccc(Cl)c1Cl ZINC000154874910 551484629 /nfs/dbraw/zinc/48/46/29/551484629.db2.gz MBUCCLFCXVQNBU-UHFFFAOYSA-N 1 0 389.323 2.516 20 0 GFADRO CC(C)(C)NC(=O)C[NH+]1CCC(CNc2nnc(C(F)(F)F)s2)CC1 ZINC000155435913 551499814 /nfs/dbraw/zinc/49/98/14/551499814.db2.gz AHWXVQPXECRCLL-UHFFFAOYSA-N 1 0 379.452 2.596 20 0 GFADRO O=C(c1ccncc1I)N1CCC([NH2+]C2CCCC2)CC1 ZINC000155862015 551509759 /nfs/dbraw/zinc/50/97/59/551509759.db2.gz AWDXOGBHCNWWEQ-UHFFFAOYSA-N 1 0 399.276 2.823 20 0 GFADRO Cc1cc(Br)cc2cc(C(=O)N[C@@H](C)CN3CC[NH+](C)CC3)oc21 ZINC000156236496 551518361 /nfs/dbraw/zinc/51/83/61/551518361.db2.gz WBYCVPDBJNHRHI-ZDUSSCGKSA-N 1 0 394.313 2.869 20 0 GFADRO O=C(NCC[C@H]1CC[NH2+]C1)Nc1cc(F)c(F)cc1I ZINC000415235942 563762849 /nfs/dbraw/zinc/76/28/49/563762849.db2.gz DNUPQYKRMDJFJT-MRVPVSSYSA-N 1 0 395.191 2.691 20 0 GFADRO C[C@H](CNC(=O)c1cc(=O)[nH]c2ccc(Br)cc21)C[NH+]1CCCC1 ZINC000156552910 551524490 /nfs/dbraw/zinc/52/44/90/551524490.db2.gz RGNPPPSTMOWTHV-GFCCVEGCSA-N 1 0 392.297 2.752 20 0 GFADRO CCN1CCC[C@@H]1C[NH2+][C@@H](C)c1ccc(S(=O)(=O)C(F)F)c(OC)c1 ZINC000156576803 551524968 /nfs/dbraw/zinc/52/49/68/551524968.db2.gz UAUWIYSFJOHFDF-GXTWGEPZSA-N 1 0 376.469 2.826 20 0 GFADRO CSc1nsc(NC(=O)N[C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)n1 ZINC000156774649 551527794 /nfs/dbraw/zinc/52/77/94/551527794.db2.gz NVFVIHWCOVCZEL-AAEUAGOBSA-N 1 0 378.527 2.687 20 0 GFADRO CCS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)c1 ZINC000157226458 551535295 /nfs/dbraw/zinc/53/52/95/551535295.db2.gz VOCNTXJWVKYEDE-CXAGYDPISA-N 1 0 384.929 2.690 20 0 GFADRO CC[C@@H](C)[N@H+](C)CCNS(=O)(=O)c1c2ccccc2sc1C(=O)OC ZINC000157255654 551535642 /nfs/dbraw/zinc/53/56/42/551535642.db2.gz RYUHDDDENWRAQH-GFCCVEGCSA-N 1 0 384.523 2.697 20 0 GFADRO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NCc1cc(F)ccc1Br ZINC000157357547 551536985 /nfs/dbraw/zinc/53/69/85/551536985.db2.gz ARULRGMTSHNKDJ-MRXNPFEDSA-N 1 0 387.293 2.998 20 0 GFADRO Cc1n[nH]c(C)c1S(=O)(=O)N1CCC([NH2+]Cc2ccccc2Cl)CC1 ZINC000157459594 551537899 /nfs/dbraw/zinc/53/78/99/551537899.db2.gz DBQIRYWKVSTEQK-UHFFFAOYSA-N 1 0 382.917 2.623 20 0 GFADRO [NH3+]C1CCN(C(=O)c2nn(-c3cccc(Br)c3)c3c2CCC3)CC1 ZINC000157685285 551541159 /nfs/dbraw/zinc/54/11/59/551541159.db2.gz GDWBGZGLYOKYKU-UHFFFAOYSA-N 1 0 389.297 2.687 20 0 GFADRO CC[N@H+](CC1CC1)[C@H](C)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000157821239 551542577 /nfs/dbraw/zinc/54/25/77/551542577.db2.gz JOTBLOUIMYAPSL-GFCCVEGCSA-N 1 0 387.933 2.649 20 0 GFADRO O=C(c1cc(=O)[nH]c2ccc(Br)cc21)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000158380179 551551153 /nfs/dbraw/zinc/55/11/53/551551153.db2.gz QSXPDQYZTVETLB-CYBMUJFWSA-N 1 0 390.281 2.601 20 0 GFADRO CS(=O)(=O)c1cc(C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)cs1 ZINC000158689497 551555136 /nfs/dbraw/zinc/55/51/36/551555136.db2.gz QJXHXGBETFLTNB-MRXNPFEDSA-N 1 0 378.519 2.546 20 0 GFADRO Cc1cc(C(=O)NCCN2CCC([NH+](C)C)CC2)c(C)cc1Br ZINC000158693082 551555478 /nfs/dbraw/zinc/55/54/78/551555478.db2.gz HLOBCDXTAHIBFE-UHFFFAOYSA-N 1 0 382.346 2.822 20 0 GFADRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 ZINC000158832580 551557162 /nfs/dbraw/zinc/55/71/62/551557162.db2.gz BXZXYORXJYVRTH-HZPDHXFCSA-N 1 0 385.961 2.519 20 0 GFADRO CCc1cc(N2CCC([NH2+][C@@H](C)Cn3cc(Br)cn3)CC2)ncn1 ZINC000159067894 551560235 /nfs/dbraw/zinc/56/02/35/551560235.db2.gz LANGQFOIQDAYEU-ZDUSSCGKSA-N 1 0 393.333 2.645 20 0 GFADRO CC(C)[NH+](CCNC(=O)C(=O)Nc1cc(F)ccc1Br)C(C)C ZINC000161683499 551597151 /nfs/dbraw/zinc/59/71/51/551597151.db2.gz YCQVBZRCTBIQHI-UHFFFAOYSA-N 1 0 388.281 2.762 20 0 GFADRO O=S(=O)(NCCCC[N@H+]1CCC[C@@H]1CO)c1ccc(Cl)c(Cl)c1 ZINC000161745781 551598129 /nfs/dbraw/zinc/59/81/29/551598129.db2.gz ORXGAIAKFJCUHL-GFCCVEGCSA-N 1 0 381.325 2.509 20 0 GFADRO CC(C)[C@H](CCO)[NH2+][C@@H](C)C(=O)Nc1ccc(I)cc1 ZINC000161744078 551598433 /nfs/dbraw/zinc/59/84/33/551598433.db2.gz RIHDKXNXNULPDN-FZMZJTMJSA-N 1 0 390.265 2.615 20 0 GFADRO C[C@H](NC(=O)N1CCC([N@H+](C)CCO)CC1)c1cccc(Br)c1 ZINC000161785829 551598440 /nfs/dbraw/zinc/59/84/40/551598440.db2.gz DSLHLDWJBXWLFR-ZDUSSCGKSA-N 1 0 384.318 2.608 20 0 GFADRO COC[C@H](NC(=O)C[N@H+](C)[C@@H]1CCSC1)c1cccc(C(F)(F)F)c1 ZINC000161866236 551599612 /nfs/dbraw/zinc/59/96/12/551599612.db2.gz AVSROKWGAGUVRE-CABCVRRESA-N 1 0 376.444 2.946 20 0 GFADRO NC(=O)[C@@H]([NH2+]CCN1CCc2sccc2C1)c1cccc(Br)c1 ZINC000161983950 551601865 /nfs/dbraw/zinc/60/18/65/551601865.db2.gz KKIDNTBLAPFTNZ-INIZCTEOSA-N 1 0 394.338 2.685 20 0 GFADRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)[C@H]1CSCN1C(=O)c1ccc(Cl)cc1 ZINC000162028011 551602277 /nfs/dbraw/zinc/60/22/77/551602277.db2.gz BZUWCKRBCRKWAH-JKSUJKDBSA-N 1 0 383.945 2.687 20 0 GFADRO C[C@@H]([NH2+]Cc1nnnn1-c1ccc(Cl)cc1C(F)(F)F)[C@@H]1CCOC1 ZINC000163067833 551615490 /nfs/dbraw/zinc/61/54/90/551615490.db2.gz KUTLIKYCWSXEFF-NXEZZACHSA-N 1 0 375.782 2.849 20 0 GFADRO C[NH+](C)CCN(Cc1cccs1)C(=O)N[C@@H]1CCO[C@@]2(CCSC2)C1 ZINC000163304644 551618445 /nfs/dbraw/zinc/61/84/45/551618445.db2.gz ZTGLFMZTVCOZSK-QAPCUYQASA-N 1 0 383.583 2.876 20 0 GFADRO CC[N@@H+]1CCCN(C(=O)C(=O)Nc2cc(Cl)ccc2Br)CC1 ZINC000163274938 551618482 /nfs/dbraw/zinc/61/84/82/551618482.db2.gz ZLLWCKQSRIYEAE-UHFFFAOYSA-N 1 0 388.693 2.595 20 0 GFADRO C[C@@H](C(=O)N1CC[C@H](C[NH+]2CCOCC2)C1)c1ccc(Br)cc1 ZINC000163695178 551621280 /nfs/dbraw/zinc/62/12/80/551621280.db2.gz IVVGDYIIANFYRC-HUUCEWRRSA-N 1 0 381.314 2.733 20 0 GFADRO C[C@@H]([NH2+]CCN1CCN(c2ncccn2)CC1)c1ccc(Br)s1 ZINC000164235417 551624778 /nfs/dbraw/zinc/62/47/78/551624778.db2.gz RVDVYPDYBZNGEZ-CYBMUJFWSA-N 1 0 396.358 2.773 20 0 GFADRO C[C@@H](Cn1cc(Br)cn1)[NH2+]CC1(CN2CCOCC2)CCCCC1 ZINC000164395365 551625198 /nfs/dbraw/zinc/62/51/98/551625198.db2.gz HGIAFGBHTSQCMB-INIZCTEOSA-N 1 0 399.377 2.906 20 0 GFADRO COc1ccc(C[NH2+][C@@H](C)Cn2cc(Br)cn2)c(OC)c1OC ZINC000164561345 551626466 /nfs/dbraw/zinc/62/64/66/551626466.db2.gz OSVQVVQQOUTAML-NSHDSACASA-N 1 0 384.274 2.850 20 0 GFADRO Cc1cc(N2CCC[C@H]([NH2+]Cc3ccnn3C)C2=O)ccc1Br ZINC000167188230 551632856 /nfs/dbraw/zinc/63/28/56/551632856.db2.gz FFEAVYZPGGYXTJ-INIZCTEOSA-N 1 0 377.286 2.776 20 0 GFADRO COc1ccc([C@@H](C)[NH2+]C2CCN(S(=O)(=O)C(F)(F)F)CC2)c(F)c1 ZINC000168060928 551634291 /nfs/dbraw/zinc/63/42/91/551634291.db2.gz NZSVWFCSKRZMHF-SNVBAGLBSA-N 1 0 384.395 2.799 20 0 GFADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNS(=O)(=O)c2ccccc2OC(F)F)C1 ZINC000170663489 551637470 /nfs/dbraw/zinc/63/74/70/551637470.db2.gz MOYLIHZVDSPSPH-OKILXGFUSA-N 1 0 376.469 2.934 20 0 GFADRO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[N@@H+]1CCC[C@H](CCC(N)=O)C1 ZINC000170732554 551638569 /nfs/dbraw/zinc/63/85/69/551638569.db2.gz GECRFWLLCLXQDU-CYBMUJFWSA-N 1 0 386.323 2.929 20 0 GFADRO COC(=O)[C@H]1CCC[N@@H+]([C@H](C)C(=O)N(C)Cc2ccc(Br)cc2)C1 ZINC000171061666 551645574 /nfs/dbraw/zinc/64/55/74/551645574.db2.gz INJDAKSIVLUKDE-HIFRSBDPSA-N 1 0 397.313 2.681 20 0 GFADRO COCCC[NH+]1CCC(NC(=O)CCc2cccc(Br)c2)CC1 ZINC000171124506 551648085 /nfs/dbraw/zinc/64/80/85/551648085.db2.gz PLWYKHFTERVWKH-UHFFFAOYSA-N 1 0 383.330 2.999 20 0 GFADRO O=C(c1ccc(F)cc1I)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000171440864 551655695 /nfs/dbraw/zinc/65/56/95/551655695.db2.gz LRONEFWYSOSKHC-LBPRGKRZSA-N 1 0 388.224 2.741 20 0 GFADRO COc1ccc(OC)c(CC[NH2+][C@H](C(N)=O)c2ccc(Br)cc2)c1 ZINC000171758734 551662850 /nfs/dbraw/zinc/66/28/50/551662850.db2.gz XFCSHPWSEKLCJZ-KRWDZBQOSA-N 1 0 393.281 2.825 20 0 GFADRO CCOc1c(Br)cc(C(=O)N2CC[C@H](C[NH+](C)C)C2)cc1OC ZINC000172169479 551672112 /nfs/dbraw/zinc/67/21/12/551672112.db2.gz CUKZDSQSVUKQCU-GFCCVEGCSA-N 1 0 385.302 2.880 20 0 GFADRO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000172309535 551675909 /nfs/dbraw/zinc/67/59/09/551675909.db2.gz RMXMCDDXMULMHD-SNVBAGLBSA-N 1 0 377.819 2.726 20 0 GFADRO C[C@@H](CNS(=O)(=O)c1ccc(Br)c(F)c1)C[NH+]1CCCC1 ZINC000173047501 551693719 /nfs/dbraw/zinc/69/37/19/551693719.db2.gz RILGVTHRYXYAFC-NSHDSACASA-N 1 0 379.295 2.598 20 0 GFADRO COC(=O)c1cc(NC(=O)N[C@H](CC[NH3+])C(F)F)c(C)cc1Br ZINC000415702582 563791856 /nfs/dbraw/zinc/79/18/56/563791856.db2.gz DGDNOFJWPJCOLJ-SNVBAGLBSA-N 1 0 394.216 2.648 20 0 GFADRO C[C@@H](CCC[NH3+])NC(=O)C(=O)Nc1ccc(C(F)(F)F)cc1Br ZINC000415791886 563796911 /nfs/dbraw/zinc/79/69/11/563796911.db2.gz UWRBWIHXKOCONQ-QMMMGPOBSA-N 1 0 396.207 2.650 20 0 GFADRO Cc1c(Br)cccc1NC(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000173462343 552085632 /nfs/dbraw/zinc/08/56/32/552085632.db2.gz OYZFTCIKCZBHRY-AGUYFDCRSA-N 1 0 394.313 2.828 20 0 GFADRO O=S(=O)(c1ccccc1Br)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000173631339 552089400 /nfs/dbraw/zinc/08/94/00/552089400.db2.gz HUOPRIRXISVWBJ-AWEZNQCLSA-N 1 0 387.343 2.946 20 0 GFADRO O=S(=O)(c1ccc(Cl)s1)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000173853732 552094431 /nfs/dbraw/zinc/09/44/31/552094431.db2.gz FEXKTBHIZZCBIX-UHFFFAOYSA-N 1 0 378.947 2.667 20 0 GFADRO CCC[N@H+](C)C[C@H]1CCN(S(=O)(=O)c2ccccc2Br)C1 ZINC000173952512 552095920 /nfs/dbraw/zinc/09/59/20/552095920.db2.gz ZAODYXMDIGNSIS-CYBMUJFWSA-N 1 0 375.332 2.802 20 0 GFADRO CC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2ccc(C)c(Br)c2)C1 ZINC000174027988 552096802 /nfs/dbraw/zinc/09/68/02/552096802.db2.gz HOHRDUNPVYLNTN-ZDUSSCGKSA-N 1 0 375.332 2.720 20 0 GFADRO COCCOC[C@H]1CC[N@H+](CC(=O)N(C)Cc2ccc(Cl)c(Cl)c2)C1 ZINC000174102377 552099078 /nfs/dbraw/zinc/09/90/78/552099078.db2.gz LKIYRGXNDZSAEY-HNNXBMFYSA-N 1 0 389.323 2.937 20 0 GFADRO CC(C)Oc1cc(Br)cc(C(=O)N[C@@H](C)CN2CC[NH+](C)CC2)c1 ZINC000174203267 552102372 /nfs/dbraw/zinc/10/23/72/552102372.db2.gz XTSDLIBHJKZJEX-AWEZNQCLSA-N 1 0 398.345 2.602 20 0 GFADRO CCCC[NH+]1CCC(NC(=O)C(=O)Nc2ccccc2Br)CC1 ZINC000174961703 552113155 /nfs/dbraw/zinc/11/31/55/552113155.db2.gz GGIDNSUCRMBSRL-UHFFFAOYSA-N 1 0 382.302 2.768 20 0 GFADRO C[NH+](C)C1CCN(CCNC(=O)Nc2ccc(F)cc2Br)CC1 ZINC000175209312 552117397 /nfs/dbraw/zinc/11/73/97/552117397.db2.gz VPPDAZJQAGHWRO-UHFFFAOYSA-N 1 0 387.297 2.736 20 0 GFADRO C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)[C@H]1SCCc2sccc21 ZINC000175220894 552118050 /nfs/dbraw/zinc/11/80/50/552118050.db2.gz KVWQVWIPHMFWRQ-INIZCTEOSA-N 1 0 375.519 2.878 20 0 GFADRO COCCC[N@H+](C)CCNC(=O)Nc1c(C)cc(Br)cc1OC ZINC000175485266 552122777 /nfs/dbraw/zinc/12/27/77/552122777.db2.gz BSCUGIVLQCSSFA-UHFFFAOYSA-N 1 0 388.306 2.856 20 0 GFADRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)NCc2cc3c(c(Br)c2)OCO3)C1 ZINC000175999319 552133859 /nfs/dbraw/zinc/13/38/59/552133859.db2.gz QKAPEZJMNMPCLI-STQMWFEESA-N 1 0 398.301 2.850 20 0 GFADRO Cc1cc(CCC(=O)N(C)CCCN2CC[NH+](C)CC2)ccc1Br ZINC000176045076 552134993 /nfs/dbraw/zinc/13/49/93/552134993.db2.gz ACCCVTBUNWTYNP-UHFFFAOYSA-N 1 0 396.373 2.786 20 0 GFADRO CNC(=O)[C@H](C)C[N@H+](C)[C@@H](C)C(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000176360111 552139566 /nfs/dbraw/zinc/13/95/66/552139566.db2.gz UYPPTIYZBRIKMV-ZJUUUORDSA-N 1 0 379.810 3.000 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)c2ccc(I)c(F)c2)C[N@@H+]1C1CC1 ZINC000177147170 552150813 /nfs/dbraw/zinc/15/08/13/552150813.db2.gz CNIJDBQPVSZOIW-KOLCDFICSA-N 1 0 388.224 2.785 20 0 GFADRO O=C(NCCSc1ccc(Cl)cc1)N1CC[NH+](C2CCOCC2)CC1 ZINC000177299486 552152616 /nfs/dbraw/zinc/15/26/16/552152616.db2.gz DFBNLILLTBSVFG-UHFFFAOYSA-N 1 0 383.945 2.938 20 0 GFADRO C[C@H]([NH2+]Cc1ccc([S@@](C)=O)cc1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000177605727 552155904 /nfs/dbraw/zinc/15/59/04/552155904.db2.gz BNWMZGCUHJXAEZ-LFPIHBKWSA-N 1 0 380.535 2.525 20 0 GFADRO O=C(c1cc(-c2ccc(Cl)s2)on1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000178108175 552164259 /nfs/dbraw/zinc/16/42/59/552164259.db2.gz POBZWRLYTZCMNZ-GFCCVEGCSA-N 1 0 381.885 2.851 20 0 GFADRO C[N@H+](CCC(=O)N1CCc2sccc2C1)Cc1ccc([S@](C)=O)cc1 ZINC000178428846 552170266 /nfs/dbraw/zinc/17/02/66/552170266.db2.gz VQRBUGONVDASOM-VWLOTQADSA-N 1 0 376.547 2.892 20 0 GFADRO O=C(N[C@H](c1ccccc1)c1ccc(Br)cc1F)[C@H]1C[NH2+]CCO1 ZINC000178436838 552170374 /nfs/dbraw/zinc/17/03/74/552170374.db2.gz XFAWVEGLRCQGKL-IAGOWNOFSA-N 1 0 393.256 2.782 20 0 GFADRO C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000178820365 552176061 /nfs/dbraw/zinc/17/60/61/552176061.db2.gz OUHZKRMGYKEXAT-KGLIPLIRSA-N 1 0 386.323 2.975 20 0 GFADRO C[C@@H](C(=O)Nc1cc(Cl)ccc1Cl)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000178823705 552176463 /nfs/dbraw/zinc/17/64/63/552176463.db2.gz JGOOPBDUPWHYMF-KBPBESRZSA-N 1 0 386.323 2.975 20 0 GFADRO CCOc1cc(Br)c(CC(=O)N2CC[C@H](C[NH2+]C)C2)cc1OCC ZINC000178970183 552180975 /nfs/dbraw/zinc/18/09/75/552180975.db2.gz BYWPSPHKNNCXJG-CYBMUJFWSA-N 1 0 399.329 2.857 20 0 GFADRO C[NH2+]C[C@H]1CCN(C(=O)c2cnn(-c3ccc(Br)cc3)c2C)C1 ZINC000178988657 552181234 /nfs/dbraw/zinc/18/12/34/552181234.db2.gz OBHHTYJAJOXWDB-CYBMUJFWSA-N 1 0 377.286 2.625 20 0 GFADRO CC(C)[C@H](C[NH2+][C@@H](C)c1ncc(Br)s1)N1CCN(C)CC1 ZINC000179200772 552186545 /nfs/dbraw/zinc/18/65/45/552186545.db2.gz DRLRQCTVJSASGF-STQMWFEESA-N 1 0 375.380 2.828 20 0 GFADRO C[NH+](C)C[C@H]1CCCCN1C(=O)c1cc(I)ccc1O ZINC000179479904 552194587 /nfs/dbraw/zinc/19/45/87/552194587.db2.gz GOTQLCNRWLDTCV-GFCCVEGCSA-N 1 0 388.249 2.553 20 0 GFADRO C[N@H+](CCCO)C1CCN(C(=O)c2cc3cc(Br)ccc3[nH]2)CC1 ZINC000179753451 552201812 /nfs/dbraw/zinc/20/18/12/552201812.db2.gz KZXJEOTZULQJBD-UHFFFAOYSA-N 1 0 394.313 2.849 20 0 GFADRO C[N@H+](CCCO)C1CCN(C(=O)C2(c3ccc(Br)cc3)CC2)CC1 ZINC000179763907 552202647 /nfs/dbraw/zinc/20/26/47/552202647.db2.gz PMHYBWKVXMXSGE-UHFFFAOYSA-N 1 0 395.341 2.786 20 0 GFADRO O=C(CSc1cccc(Br)c1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000179878418 552205963 /nfs/dbraw/zinc/20/59/63/552205963.db2.gz DHECFVLZOSJQHT-CQSZACIVSA-N 1 0 399.354 2.722 20 0 GFADRO C[C@H]([NH2+]CC(=O)N(C)Cc1cc(Br)cs1)C1CCOCC1 ZINC000179875284 552206032 /nfs/dbraw/zinc/20/60/32/552206032.db2.gz WZBXOMJAXNGOGS-NSHDSACASA-N 1 0 375.332 2.874 20 0 GFADRO C[NH+](C)CCCC1CCN(C(=O)c2cnn3cc(Br)cnc23)CC1 ZINC000180029876 552210599 /nfs/dbraw/zinc/21/05/99/552210599.db2.gz YNTFHBKQMNPSIR-UHFFFAOYSA-N 1 0 394.317 2.686 20 0 GFADRO CC(C)[C@H]([NH2+]CCOc1ccc(Cl)cc1Cl)C(=O)N1CCOCC1 ZINC000180079492 552212645 /nfs/dbraw/zinc/21/26/45/552212645.db2.gz HLSUUWYDKRNKFZ-INIZCTEOSA-N 1 0 375.296 2.845 20 0 GFADRO CS(=O)(=O)Nc1ccc(OCC[NH2+]Cc2ccccc2Br)cc1 ZINC000180356314 552223508 /nfs/dbraw/zinc/22/35/08/552223508.db2.gz QREXXTNKTWNNRT-UHFFFAOYSA-N 1 0 399.310 2.989 20 0 GFADRO COc1ccc(C)cc1[C@H](C)[NH2+]CC1CCN(S(=O)(=O)C(F)F)CC1 ZINC000180799496 552235886 /nfs/dbraw/zinc/23/58/86/552235886.db2.gz NOPBZNXYDUYWQR-ZDUSSCGKSA-N 1 0 376.469 2.919 20 0 GFADRO C[C@@H]([NH2+]CC1CCN(S(=O)(=O)C(F)F)CC1)c1ccccc1N(C)C ZINC000180792750 552236201 /nfs/dbraw/zinc/23/62/01/552236201.db2.gz GPWPCFYFVQEVNM-CYBMUJFWSA-N 1 0 375.485 2.668 20 0 GFADRO CC(C)C(=O)NCC[N@H+](C)Cc1cc(Br)c2c(c1)OCCCO2 ZINC000180836758 552236969 /nfs/dbraw/zinc/23/69/69/552236969.db2.gz XAIRCEJBLXHXST-UHFFFAOYSA-N 1 0 385.302 2.814 20 0 GFADRO Cc1cc([C@H](C)[NH2+]Cc2ccccc2S(=O)(=O)N(C)CCO)c(C)s1 ZINC000180883755 552238704 /nfs/dbraw/zinc/23/87/04/552238704.db2.gz QDKWZGZHSNFZQA-AWEZNQCLSA-N 1 0 382.551 2.829 20 0 GFADRO [NH3+]CCCCNC(=O)c1nn(-c2ccc(Br)cc2)c2c1CCCC2 ZINC000181084668 552245791 /nfs/dbraw/zinc/24/57/91/552245791.db2.gz KDBJSHFMLBROKG-UHFFFAOYSA-N 1 0 391.313 2.982 20 0 GFADRO CCNC(=O)N1CC[C@@H]([NH2+][C@H](C)CC(=O)Nc2cccc(Br)c2)C1 ZINC000181332418 552253300 /nfs/dbraw/zinc/25/33/00/552253300.db2.gz BMGKSQNQFJBRCB-IUODEOHRSA-N 1 0 397.317 2.560 20 0 GFADRO CCNC(=O)N1CC[C@@H]([NH2+][C@@H](C)CC(=O)Nc2cccc(Br)c2)C1 ZINC000181332384 552253424 /nfs/dbraw/zinc/25/34/24/552253424.db2.gz BMGKSQNQFJBRCB-SWLSCSKDSA-N 1 0 397.317 2.560 20 0 GFADRO CCNC(=O)N1CC[C@H]([NH2+][C@H](C)CC(=O)Nc2cccc(Br)c2)C1 ZINC000181332401 552253575 /nfs/dbraw/zinc/25/35/75/552253575.db2.gz BMGKSQNQFJBRCB-DOMZBBRYSA-N 1 0 397.317 2.560 20 0 GFADRO CS(=O)(=O)N[C@@H]1CCCN(Cc2nc(-c3c(F)cccc3F)cs2)C1 ZINC000181674061 552264880 /nfs/dbraw/zinc/26/48/80/552264880.db2.gz LFORGCFHVVCLHM-LLVKDONJSA-N 1 0 387.477 2.602 20 0 GFADRO CS(=O)(=O)N1CCC[C@@H]1C[NH2+][C@H]1CCc2c1c(Br)ccc2F ZINC000181692403 552265383 /nfs/dbraw/zinc/26/53/83/552265383.db2.gz IPKLNHYWDDTHDJ-YGRLFVJLSA-N 1 0 391.306 2.589 20 0 GFADRO C[C@@H]([NH2+]C[C@H]1CCN(S(C)(=O)=O)C1)c1cc(Cl)ccc1OC(F)F ZINC000181682829 552265544 /nfs/dbraw/zinc/26/55/44/552265544.db2.gz YSWMGQCCYJSWAX-GHMZBOCLSA-N 1 0 382.860 2.874 20 0 GFADRO C[C@@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH2+]C[C@]1(O)CCOC1 ZINC000181729753 552266450 /nfs/dbraw/zinc/26/64/50/552266450.db2.gz FAGWTWALEGKXMK-ZUZCIYMTSA-N 1 0 380.794 2.817 20 0 GFADRO CC(C)C(=O)NCCC[NH2+][C@@H](C)CC(=O)Nc1cccc(Br)c1 ZINC000181753781 552266953 /nfs/dbraw/zinc/26/69/53/552266953.db2.gz QTYTXWAUKFRUJC-ZDUSSCGKSA-N 1 0 384.318 2.918 20 0 GFADRO COc1cc(Br)ccc1CCC[N@@H+]1CCc2nn(C)c(=O)cc2C1 ZINC000181932845 552271039 /nfs/dbraw/zinc/27/10/39/552271039.db2.gz TUAVUYQWZYAMHM-UHFFFAOYSA-N 1 0 392.297 2.542 20 0 GFADRO NC(=O)C[C@H]([NH2+]C[C@@H](O)COc1ccc(Br)cc1)C1CCCCC1 ZINC000182011873 552272837 /nfs/dbraw/zinc/27/28/37/552272837.db2.gz OKAAYWDOPSWGCP-WBVHZDCISA-N 1 0 399.329 2.603 20 0 GFADRO COCc1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1ccc(OC)cc1Br)CC2 ZINC000182012470 552273256 /nfs/dbraw/zinc/27/32/56/552273256.db2.gz BUEZZZOXBJIMFK-NEPJUHHUSA-N 1 0 395.301 2.861 20 0 GFADRO COc1ccc([C@@H](C)[NH2+]CC2CCS(=O)(=O)CC2)c(Br)c1 ZINC000182078118 552274437 /nfs/dbraw/zinc/27/44/37/552274437.db2.gz XMCXLUKEEOTRFP-LLVKDONJSA-N 1 0 376.316 2.933 20 0 GFADRO CC(C)(C)OC(=O)CNC(=O)C[NH2+]C1(c2ccc(Br)cc2)CCC1 ZINC000182066081 552274506 /nfs/dbraw/zinc/27/45/06/552274506.db2.gz MCWSSLCXBKZJGC-UHFFFAOYSA-N 1 0 397.313 2.876 20 0 GFADRO CC[C@@H]([NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1)c1cc(F)cc(Br)c1 ZINC000182067440 552274532 /nfs/dbraw/zinc/27/45/32/552274532.db2.gz NMQUKRYBKSEZNA-XHDPSFHLSA-N 1 0 393.322 2.910 20 0 GFADRO CC(C)Sc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000182097632 552275182 /nfs/dbraw/zinc/27/51/82/552275182.db2.gz GFCJVZZWOLACGC-OFQRWUPVSA-N 1 0 384.567 2.530 20 0 GFADRO C[C@H]([NH2+]C1CCN(S(=O)(=O)C(F)(F)F)CC1)c1nc2ccccc2o1 ZINC000182457102 552284978 /nfs/dbraw/zinc/28/49/78/552284978.db2.gz DOQQXADHCPDIAF-JTQLQIEISA-N 1 0 377.388 2.792 20 0 GFADRO CCC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2ccc(OCC(F)F)cc2)C1 ZINC000182712543 552291188 /nfs/dbraw/zinc/29/11/88/552291188.db2.gz AWABQPFEVGHHOP-AWEZNQCLSA-N 1 0 376.469 2.683 20 0 GFADRO C[C@@H](CS(C)(=O)=O)[NH2+]CCSCCOc1cccc(Br)c1 ZINC000182952864 552296828 /nfs/dbraw/zinc/29/68/28/552296828.db2.gz GWNGFHWZHSSFDN-LBPRGKRZSA-N 1 0 396.372 2.584 20 0 GFADRO CSc1nnc(CCC[NH2+][C@@H]2CCCC[C@@H]2S(C)(=O)=O)n1CC(C)C ZINC000182964944 552297521 /nfs/dbraw/zinc/29/75/21/552297521.db2.gz LFBCQFIIGJZNHJ-CABCVRRESA-N 1 0 388.603 2.534 20 0 GFADRO Cc1cc(I)ccc1NC(=O)C[NH2+][C@H](C)[C@@H]1CCCO1 ZINC000183139275 552301518 /nfs/dbraw/zinc/30/15/18/552301518.db2.gz LNLDQYHDJCDINV-RISCZKNCSA-N 1 0 388.249 2.695 20 0 GFADRO CN(C1C[C@H]2CC[C@@H](C1)[NH2+]2)S(=O)(=O)c1cc(F)c(Br)cc1F ZINC000183201741 552302754 /nfs/dbraw/zinc/30/27/54/552302754.db2.gz CUKCZTPTGQIWET-ULKQDVFKSA-N 1 0 395.269 2.631 20 0 GFADRO COc1cc(C[N@H+](C)C[C@H](C)c2nccs2)cc(Cl)c1OCC(N)=O ZINC000183260455 552304539 /nfs/dbraw/zinc/30/45/39/552304539.db2.gz MAIUZDMXFIZYFH-NSHDSACASA-N 1 0 383.901 2.905 20 0 GFADRO CN(C)C(=O)[C@@H]1CC[C@@H](C[NH2+][C@@H]2CCc3c2c(Br)ccc3F)O1 ZINC000183454599 552309941 /nfs/dbraw/zinc/30/99/41/552309941.db2.gz SKHUWUNVMAJQCS-VQISRLSMSA-N 1 0 385.277 2.801 20 0 GFADRO COc1cc(CNC(=O)c2c[nH+]ccc2N(C)C)cc(Br)c1OC ZINC000183485755 552310215 /nfs/dbraw/zinc/31/02/15/552310215.db2.gz YGQJAWKJEFQILE-UHFFFAOYSA-N 1 0 394.269 2.857 20 0 GFADRO O=C1C[C@@H]([NH2+]Cc2cncc(Br)c2)CN1CCOc1ccccc1 ZINC000183719423 552317499 /nfs/dbraw/zinc/31/74/99/552317499.db2.gz UPKRHDYIEYRDCE-MRXNPFEDSA-N 1 0 390.281 2.614 20 0 GFADRO CN(C)c1cc[nH+]cc1C(=O)NC[C@H](O)COc1cccc(Cl)c1Cl ZINC000183921689 552322828 /nfs/dbraw/zinc/32/28/28/552322828.db2.gz ITBLYUKXHVVWPZ-NSHDSACASA-N 1 0 384.263 2.624 20 0 GFADRO CC[N@H+](CCO)CCNC(=O)c1cc(C)n(-c2ccc(Cl)c(Cl)c2)n1 ZINC000183914799 552322954 /nfs/dbraw/zinc/32/29/54/552322954.db2.gz VMYBJYWOEYSJPV-UHFFFAOYSA-N 1 0 385.295 2.532 20 0 GFADRO C[NH+](C)CC1(CN[C@@H](C(N)=O)c2ccc(Br)cc2F)CCCC1 ZINC000184474640 552336224 /nfs/dbraw/zinc/33/62/24/552336224.db2.gz GNSKPIIJQKDMEG-OAHLLOKOSA-N 1 0 386.309 2.826 20 0 GFADRO NC(=O)[C@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000184844644 552345824 /nfs/dbraw/zinc/34/58/24/552345824.db2.gz QHYIALYXMVHACK-CMPLNLGQSA-N 1 0 377.794 2.931 20 0 GFADRO [NH3+][C@H]1CC[C@H]2CN(C(=O)c3ccc(Cl)c(I)c3)C[C@H]21 ZINC000185033854 552351800 /nfs/dbraw/zinc/35/18/00/552351800.db2.gz ABAQXLWOGOTVJM-CWSCBRNRSA-N 1 0 390.652 2.754 20 0 GFADRO COC(=O)c1ccc(Cl)cc1S(=O)(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000185093520 552353591 /nfs/dbraw/zinc/35/35/91/552353591.db2.gz XXEBZLGSQHJSOZ-UHFFFAOYSA-N 1 0 388.917 2.527 20 0 GFADRO Nc1cc(Br)ccc1C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000185247576 552358118 /nfs/dbraw/zinc/35/81/18/552358118.db2.gz PSAMISADZSTXPE-UHFFFAOYSA-N 1 0 389.297 2.821 20 0 GFADRO C[NH+]1CCN(CCC(C)(C)NS(=O)(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000185432133 552363351 /nfs/dbraw/zinc/36/33/51/552363351.db2.gz GEPPTPFHAPQJRB-UHFFFAOYSA-N 1 0 394.368 2.688 20 0 GFADRO Cc1cccc(NC(=O)C(=O)NCCC[NH+]2CCCCC2)c1Br ZINC000185498106 552364611 /nfs/dbraw/zinc/36/46/11/552364611.db2.gz MGRZWKKGUWGTBS-UHFFFAOYSA-N 1 0 382.302 2.688 20 0 GFADRO O=C(NCc1cc2cc(Br)ccc2[nH]1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000185567573 552366438 /nfs/dbraw/zinc/36/64/38/552366438.db2.gz BSUBUIQNOYHKAC-OAHLLOKOSA-N 1 0 377.286 2.920 20 0 GFADRO C[C@@]1(C(N)=O)CCCC[N@@H+]1CCC(=O)Nc1ccc(Br)cc1F ZINC000185884324 552372693 /nfs/dbraw/zinc/37/26/93/552372693.db2.gz MVTAGGFRRKASEZ-INIZCTEOSA-N 1 0 386.265 2.647 20 0 GFADRO O=S1(=O)CC[C@H]([NH2+]CC2(N3CCSCC3)CCCC2)c2ccccc21 ZINC000186107275 552379534 /nfs/dbraw/zinc/37/95/34/552379534.db2.gz CPOKJHOYWFYUAD-KRWDZBQOSA-N 1 0 380.579 2.856 20 0 GFADRO C[C@@H](C[NH+]1CCCCCC1)NC(=O)c1ccc(Cl)c(NS(C)(=O)=O)c1 ZINC000186319961 552384713 /nfs/dbraw/zinc/38/47/13/552384713.db2.gz OAYLXDAUFZOVFT-ZDUSSCGKSA-N 1 0 387.933 2.706 20 0 GFADRO C[N@H+](C[C@H](O)COc1ccc(Cl)cc1Br)CC1(CO)CC1 ZINC000186802089 552398346 /nfs/dbraw/zinc/39/83/46/552398346.db2.gz RSYTXBLZUHZDNK-LBPRGKRZSA-N 1 0 378.694 2.547 20 0 GFADRO C[C@@H](CCc1ccc(Br)cc1)NC(=O)NCC[N@@H+]1CCCOCC1 ZINC000187021557 552404348 /nfs/dbraw/zinc/40/43/48/552404348.db2.gz CAAWRUDSLGSGMG-HNNXBMFYSA-N 1 0 398.345 2.792 20 0 GFADRO CNS(=O)(=O)CC[NH2+][C@@H]1CCCc2nc(-c3ccc(Cl)cc3)sc21 ZINC000187201593 552408989 /nfs/dbraw/zinc/40/89/89/552408989.db2.gz HIUSJOPLANDKJD-CYBMUJFWSA-N 1 0 385.942 2.980 20 0 GFADRO CCOc1cccc(C[NH2+][C@@H](C)C2CCS(=O)(=O)CC2)c1OC(F)F ZINC000187296253 552411427 /nfs/dbraw/zinc/41/14/27/552411427.db2.gz ZOTFNPGEQWQSKC-LBPRGKRZSA-N 1 0 377.453 2.990 20 0 GFADRO COCC[C@@](C)(O)C[NH2+]Cc1cc(Br)cc(Br)c1N ZINC000187366584 552413694 /nfs/dbraw/zinc/41/36/94/552413694.db2.gz FCHRJLPJVHTRDS-CYBMUJFWSA-N 1 0 396.123 2.671 20 0 GFADRO C[C@H](NC(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1)c1cccc(Br)c1 ZINC000187378618 552413899 /nfs/dbraw/zinc/41/38/99/552413899.db2.gz WBPDIUKECPEIOL-KGLIPLIRSA-N 1 0 398.345 2.997 20 0 GFADRO O=C([C@@H]1CCC[N@@H+]1C1CCOCC1)N1Cc2cccc(Br)c2C1 ZINC000187393586 552414552 /nfs/dbraw/zinc/41/45/52/552414552.db2.gz FVPRSGHIZBRYTK-KRWDZBQOSA-N 1 0 379.298 2.935 20 0 GFADRO CCO[C@H]1C[C@@]([NH3+])(C(=O)N2CCc3c(Br)cccc3C2)C1(C)C ZINC000187608489 552420331 /nfs/dbraw/zinc/42/03/31/552420331.db2.gz NFYVIJVWKCWRJV-MAUKXSAKSA-N 1 0 381.314 2.866 20 0 GFADRO CC[C@]1(CO)CCC[N@H+](CC(=O)N(C)Cc2ccccc2Br)C1 ZINC000187641881 552420869 /nfs/dbraw/zinc/42/08/69/552420869.db2.gz OBFLEXKXAMSENZ-SFHVURJKSA-N 1 0 383.330 2.892 20 0 GFADRO CCO[C@H]1C[C@@]([NH3+])(C(=O)N2CCC(C(F)(F)F)(C(F)(F)F)C2)C1(C)C ZINC000187823869 552425435 /nfs/dbraw/zinc/42/54/35/552425435.db2.gz NCHQMJPHMZWLPH-TVQRCGJNSA-N 1 0 376.341 2.862 20 0 GFADRO CN(CC1([NH+](C)C)CCC1)C(=O)c1ccc(I)c(F)c1 ZINC000188076494 552434126 /nfs/dbraw/zinc/43/41/26/552434126.db2.gz FPHOLBNDLUTVCD-UHFFFAOYSA-N 1 0 390.240 2.987 20 0 GFADRO CCNC(=O)NC(=O)C[NH2+][C@H](CC1CC1)c1cc(F)cc(Br)c1 ZINC000188184656 552437952 /nfs/dbraw/zinc/43/79/52/552437952.db2.gz WHOSYVWOMUQVCU-CQSZACIVSA-N 1 0 386.265 2.865 20 0 GFADRO O=C(Nc1ccsc1Cl)C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000188182772 552437968 /nfs/dbraw/zinc/43/79/68/552437968.db2.gz HMMUYKDUMUSRIZ-UHFFFAOYSA-N 1 0 378.885 2.516 20 0 GFADRO COC(=O)CNC(=O)CC[NH+]1CCC(c2ccc(Br)c(C)c2)CC1 ZINC000188198792 552438520 /nfs/dbraw/zinc/43/85/20/552438520.db2.gz YSRCORQMVDFYFB-UHFFFAOYSA-N 1 0 397.313 2.616 20 0 GFADRO COc1nc(C)c(Br)cc1C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000188226518 552439606 /nfs/dbraw/zinc/43/96/06/552439606.db2.gz BKVCXGQEASELOU-WFASDCNBSA-N 1 0 382.302 2.717 20 0 GFADRO O=C(Nc1cccc(Br)n1)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000188575058 552448802 /nfs/dbraw/zinc/44/88/02/552448802.db2.gz FEANYCQEWZQWHP-KGLIPLIRSA-N 1 0 397.317 2.734 20 0 GFADRO C[C@@H](C[NH2+]Cc1ccc(Br)cc1N1CCOCC1)N(C)C1CC1 ZINC000188727380 552453213 /nfs/dbraw/zinc/45/32/13/552453213.db2.gz GITGTNVTUIICTE-AWEZNQCLSA-N 1 0 382.346 2.858 20 0 GFADRO OCC1(C[NH2+]Cc2ccc(Br)cc2N2CCOCC2)CCCC1 ZINC000188763129 552454496 /nfs/dbraw/zinc/45/44/96/552454496.db2.gz FSIBPCLRFCJKAX-UHFFFAOYSA-N 1 0 383.330 2.928 20 0 GFADRO COc1cc(S(=O)(=O)N(C)CC2([NH+](C)C)CCC2)ccc1Br ZINC000189128329 552463527 /nfs/dbraw/zinc/46/35/27/552463527.db2.gz GMWKPBBZTYJOEX-UHFFFAOYSA-N 1 0 391.331 2.563 20 0 GFADRO Cc1ccc(CC(=O)N2CC[NH+](C3CCOCC3)CC2)cc1Br ZINC000189211444 552465580 /nfs/dbraw/zinc/46/55/80/552465580.db2.gz PWLZKUQCUQRMGE-UHFFFAOYSA-N 1 0 381.314 2.623 20 0 GFADRO C[C@@H](O)C[NH+]1CCN(Cc2coc(-c3ccc(Br)cc3)n2)CC1 ZINC000189392586 552470211 /nfs/dbraw/zinc/47/02/11/552470211.db2.gz ZLQIAMCGWISVOV-CYBMUJFWSA-N 1 0 380.286 2.603 20 0 GFADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)NCc1cccc(C)c1Br ZINC000189558343 552474798 /nfs/dbraw/zinc/47/47/98/552474798.db2.gz KLIVEFZOYZRPIE-HNNXBMFYSA-N 1 0 384.318 2.668 20 0 GFADRO Cc1ccc(CC(=O)NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1Br ZINC000189685680 552477387 /nfs/dbraw/zinc/47/73/87/552477387.db2.gz HLOKKWCCMBVJIM-GASCZTMLSA-N 1 0 383.330 2.916 20 0 GFADRO CS(=O)(=O)N1CC(C[NH2+]Cc2ccc(-c3nc4ccccc4s3)o2)C1 ZINC000189691983 552477630 /nfs/dbraw/zinc/47/76/30/552477630.db2.gz DHZVQZUTWAULFW-UHFFFAOYSA-N 1 0 377.491 2.537 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)C(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000190010140 552484879 /nfs/dbraw/zinc/48/48/79/552484879.db2.gz GVIZKMPERHQARQ-OAHLLOKOSA-N 1 0 394.313 2.783 20 0 GFADRO O=C(Nc1cc(F)ccc1Br)C(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000190029745 552485428 /nfs/dbraw/zinc/48/54/28/552485428.db2.gz LPNGYHXDPNNJAM-CYBMUJFWSA-N 1 0 398.276 2.614 20 0 GFADRO Cc1ccc(NC(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCC2)cc1Br ZINC000190017731 552485618 /nfs/dbraw/zinc/48/56/18/552485618.db2.gz BLDHVEFCDOJPAN-HNNXBMFYSA-N 1 0 394.313 2.783 20 0 GFADRO Cc1cccc(CNC(=O)NCCN2CCC([NH+](C)C)CC2)c1Br ZINC000190055359 552485926 /nfs/dbraw/zinc/48/59/26/552485926.db2.gz MXMPACXIPTUJJY-UHFFFAOYSA-N 1 0 397.361 2.583 20 0 GFADRO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)NCC(C)(C)C[NH+](C)C ZINC000190440471 552496406 /nfs/dbraw/zinc/49/64/06/552496406.db2.gz LBCYPJNVGROLGV-ZDUSSCGKSA-N 1 0 392.949 2.620 20 0 GFADRO COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)NCCC[NH+]1CCCC1 ZINC000190467151 552497344 /nfs/dbraw/zinc/49/73/44/552497344.db2.gz GRMVXNCCLXCSLW-CQSZACIVSA-N 1 0 390.933 2.518 20 0 GFADRO CCN(CCC[NH+](CC)CC)C(=O)C(=O)Nc1ccccc1Br ZINC000190657473 552504999 /nfs/dbraw/zinc/50/49/99/552504999.db2.gz KVZSSRRKKXXOAX-UHFFFAOYSA-N 1 0 384.318 2.968 20 0 GFADRO CCS(=O)(=O)N1CC(C[NH2+][C@H](c2ccc(Br)s2)C2CC2)C1 ZINC000190665665 552505374 /nfs/dbraw/zinc/50/53/74/552505374.db2.gz IUPYCHDZWGQHQH-AWEZNQCLSA-N 1 0 393.372 2.833 20 0 GFADRO O=C(Cc1ccc(I)cc1)NC1CC[NH+](C2CC2)CC1 ZINC000190868940 552511653 /nfs/dbraw/zinc/51/16/53/552511653.db2.gz GALIQDUAFIBNRO-UHFFFAOYSA-N 1 0 384.261 2.577 20 0 GFADRO O=C(Cc1ccc(I)cc1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000190946185 552513943 /nfs/dbraw/zinc/51/39/43/552513943.db2.gz RDXIWYNSEANSAT-HNNXBMFYSA-N 1 0 398.288 2.778 20 0 GFADRO C[NH+](C)C1(CNC(=O)C2(c3ccccc3Br)CC2)CCOCC1 ZINC000191644049 552533784 /nfs/dbraw/zinc/53/37/84/552533784.db2.gz PUGOCYSLXWARAD-UHFFFAOYSA-N 1 0 381.314 2.708 20 0 GFADRO CO[C@H](C)[C@H](C)[NH2+][C@H](C)C(=O)Nc1cccc(I)c1 ZINC000191704951 552534905 /nfs/dbraw/zinc/53/49/05/552534905.db2.gz LTGXAIYHUWLAEO-HBNTYKKESA-N 1 0 376.238 2.631 20 0 GFADRO CO[C@H](C)[C@H](C)[NH2+][C@@H](C)C(=O)Nc1cccc(I)c1 ZINC000191704923 552535039 /nfs/dbraw/zinc/53/50/39/552535039.db2.gz LTGXAIYHUWLAEO-GARJFASQSA-N 1 0 376.238 2.631 20 0 GFADRO CN(CCCN1CC[NH+](C)CC1)C(=O)C1(c2ccccc2Br)CC1 ZINC000191752532 552537027 /nfs/dbraw/zinc/53/70/27/552537027.db2.gz FMQOEHXEIUJENN-UHFFFAOYSA-N 1 0 394.357 2.577 20 0 GFADRO COC(=O)[C@@H](c1ccc(Cl)c(Cl)c1)N1CC[NH+](CC(C)(C)O)CC1 ZINC000191988417 552544987 /nfs/dbraw/zinc/54/49/87/552544987.db2.gz LQBBYRYWUHLHMC-OAHLLOKOSA-N 1 0 375.296 2.596 20 0 GFADRO C[C@@H](C(=O)N1CCC(C(=O)Nc2ccccc2Br)CC1)[C@H](C)[NH3+] ZINC000192034241 552546679 /nfs/dbraw/zinc/54/66/79/552546679.db2.gz CCJVSCHMKXLKMF-NEPJUHHUSA-N 1 0 382.302 2.610 20 0 GFADRO CCC[N@H+](CC)CCNC(=O)C(=O)Nc1cccc(Cl)c1Br ZINC000192069295 552549159 /nfs/dbraw/zinc/54/91/59/552549159.db2.gz CLZIMDLNZYDEAC-UHFFFAOYSA-N 1 0 390.709 2.889 20 0 GFADRO O=C(NCCCC[N@H+]1CCC[C@@H]1CO)c1cc(Br)c(F)cc1F ZINC000192180384 552554607 /nfs/dbraw/zinc/55/46/07/552554607.db2.gz FHENRUVUNKUPCJ-LLVKDONJSA-N 1 0 391.256 2.694 20 0 GFADRO O=S(=O)(NCC[C@@H]1CCC[NH2+]C1)c1ccc(Cl)c(Br)c1 ZINC000192389608 552561459 /nfs/dbraw/zinc/56/14/59/552561459.db2.gz FZVUHAXKPDGLIN-JTQLQIEISA-N 1 0 381.723 2.771 20 0 GFADRO COC(=O)c1cccc(NC(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)c1Br ZINC000192424913 552563045 /nfs/dbraw/zinc/56/30/45/552563045.db2.gz TVUIGJTWJBCJJM-VXGBXAGGSA-N 1 0 396.285 2.936 20 0 GFADRO CC[N@H+](CCNC(=O)Nc1cccc(C(=O)OC)c1Br)C1CC1 ZINC000192423744 552563182 /nfs/dbraw/zinc/56/31/82/552563182.db2.gz RCDWSNZKSXBWEQ-UHFFFAOYSA-N 1 0 384.274 2.842 20 0 GFADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)Nc1cc2c(cc1Br)CCC2 ZINC000192463517 552564702 /nfs/dbraw/zinc/56/47/02/552564702.db2.gz QAIGKMWHBGGXTD-CYBMUJFWSA-N 1 0 395.345 2.695 20 0 GFADRO C[N@H+]1C[C@H]2CN(C(=O)COc3ccc(C4SCCCS4)cc3)C[C@H]2C1 ZINC000192472757 552565139 /nfs/dbraw/zinc/56/51/39/552565139.db2.gz STYGUUPZNDAUCV-IYBDPMFKSA-N 1 0 378.563 2.954 20 0 GFADRO O=C(NCC1([NH+]2CCSCC2)CCCC1)c1ncccc1Br ZINC000192677611 552971286 /nfs/dbraw/zinc/97/12/86/552971286.db2.gz CODAHXOLDOUDFY-UHFFFAOYSA-N 1 0 384.343 2.936 20 0 GFADRO C[C@@H]1CN(CC[NH2+]C2(c3ccc(Br)cc3)CCOCC2)CCO1 ZINC000192765222 552973584 /nfs/dbraw/zinc/97/35/84/552973584.db2.gz RGAFALITSKCTQV-OAHLLOKOSA-N 1 0 383.330 2.765 20 0 GFADRO COc1cc(Cl)c(S(=O)(=O)N[C@H](C)C(C)(C)C[NH+](C)C)cc1OC ZINC000192822489 552975090 /nfs/dbraw/zinc/97/50/90/552975090.db2.gz GHLIBDURJYINLA-LLVKDONJSA-N 1 0 378.922 2.612 20 0 GFADRO C[C@H](C[NH+]1CCCCC1)NC(=O)Cc1cc2c(cc1Br)OCCO2 ZINC000193019521 552980185 /nfs/dbraw/zinc/98/01/85/552980185.db2.gz LGUZILPSCVQMKT-CYBMUJFWSA-N 1 0 397.313 2.753 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)N1CCCN(CC(F)(F)F)CC1)c1cccs1 ZINC000193107163 552983736 /nfs/dbraw/zinc/98/37/36/552983736.db2.gz TVEUVFACXSQHII-ZDUSSCGKSA-N 1 0 378.464 2.630 20 0 GFADRO O=S(=O)(NCc1ccc2c(c1)C[NH2+]C2)c1cc(Br)ccc1F ZINC000193430299 552992797 /nfs/dbraw/zinc/99/27/97/552992797.db2.gz XHMFCMFHMXOXDA-UHFFFAOYSA-N 1 0 385.258 2.670 20 0 GFADRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)c2ccoc2Br)CC1 ZINC000193499625 552995062 /nfs/dbraw/zinc/99/50/62/552995062.db2.gz HQNLTFUPSVJNMY-KBPBESRZSA-N 1 0 384.318 2.673 20 0 GFADRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl ZINC000193580761 552997621 /nfs/dbraw/zinc/99/76/21/552997621.db2.gz LGBBKZSXEUZWEQ-UVBJJODRSA-N 1 0 384.307 2.855 20 0 GFADRO C[NH+]1CCC(Oc2ccc(NC(=O)c3ncccc3Br)cn2)CC1 ZINC000193678218 552999639 /nfs/dbraw/zinc/99/96/39/552999639.db2.gz PFOVNPIOVVSUQF-UHFFFAOYSA-N 1 0 391.269 2.964 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+][C@H]1C(=O)NCC[C@H]1C ZINC000193675009 552999677 /nfs/dbraw/zinc/99/96/77/552999677.db2.gz JAMVVJRWPUPTQY-BDJLRTHQSA-N 1 0 377.286 2.557 20 0 GFADRO C[C@@H](Sc1ccccc1Cl)C(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000193698860 553000510 /nfs/dbraw/zinc/00/05/10/553000510.db2.gz DHVXMBYVBUEIDI-ZIAGYGMSSA-N 1 0 383.945 2.667 20 0 GFADRO C=Cn1cc(C[NH+]2CCC(C(=O)Nc3ccc(Br)cn3)CC2)cn1 ZINC000193738947 553001506 /nfs/dbraw/zinc/00/15/06/553001506.db2.gz BKOHDHFLTLXLCN-UHFFFAOYSA-N 1 0 390.285 2.992 20 0 GFADRO C=Cn1cc(C[NH2+]CCCNC(=O)c2cc(OC)ccc2Br)cn1 ZINC000194304232 553017089 /nfs/dbraw/zinc/01/70/89/553017089.db2.gz QLOOAVXWCQQWAZ-UHFFFAOYSA-N 1 0 393.285 2.664 20 0 GFADRO C[NH+](C)CCC1CCN(S(=O)(=O)c2cccc(OC(F)(F)F)c2)CC1 ZINC000194377981 553019144 /nfs/dbraw/zinc/01/91/44/553019144.db2.gz RUBTZVWYHZELII-UHFFFAOYSA-N 1 0 380.432 2.938 20 0 GFADRO O=S(=O)(NC1CC[NH+](CC2CC2)CC1)c1ccc(F)c(C(F)(F)F)c1 ZINC000194405100 553019950 /nfs/dbraw/zinc/01/99/50/553019950.db2.gz JIJBJKBIUQMJCA-UHFFFAOYSA-N 1 0 380.407 2.997 20 0 GFADRO C[C@@H]([NH3+])CNC(=O)c1cnn(-c2ncc(Cl)cc2Cl)c1C(F)(F)F ZINC000194889770 553032928 /nfs/dbraw/zinc/03/29/28/553032928.db2.gz BDJPCNHSBXQNQW-ZCFIWIBFSA-N 1 0 382.173 2.670 20 0 GFADRO CC(C)c1cc(Br)ccc1NC(=O)C(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000194925291 553034215 /nfs/dbraw/zinc/03/42/15/553034215.db2.gz GJBAHWPAXZSTTB-BETUJISGSA-N 1 0 394.313 2.531 20 0 GFADRO CC(C)Sc1ccc(Cl)cc1NC(=O)C(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000194930563 553034266 /nfs/dbraw/zinc/03/42/66/553034266.db2.gz BKSHIQLIPHJOKG-BETUJISGSA-N 1 0 381.929 2.799 20 0 GFADRO COc1cc(C[NH2+]CC2CCOCC2)cc(I)c1OC ZINC000195016324 553035819 /nfs/dbraw/zinc/03/58/19/553035819.db2.gz UEQPHAJFWKBUGK-UHFFFAOYSA-N 1 0 391.249 2.825 20 0 GFADRO COC(=O)c1ccc(Cl)cc1S(=O)(=O)NCCC[NH+]1CCC(C)CC1 ZINC000195440205 553048886 /nfs/dbraw/zinc/04/88/86/553048886.db2.gz TWTXUTVMIMAACI-UHFFFAOYSA-N 1 0 388.917 2.527 20 0 GFADRO Cc1cc(S(=O)(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)sc1Br ZINC000220971743 553055074 /nfs/dbraw/zinc/05/50/74/553055074.db2.gz DKDMRDSWNUGRAV-NWDGAFQWSA-N 1 0 393.372 2.924 20 0 GFADRO CC[NH+]1CCC(N(C)C(=O)c2cc(I)ccc2O)CC1 ZINC000220457775 553055254 /nfs/dbraw/zinc/05/52/54/553055254.db2.gz KNSRLDBQXCZTHL-UHFFFAOYSA-N 1 0 388.249 2.553 20 0 GFADRO C[C@H]([NH2+]CCN1CCSCC1)c1ccc(I)cc1 ZINC000223477853 553055999 /nfs/dbraw/zinc/05/59/99/553055999.db2.gz XXDRWCZBYTXTHW-LBPRGKRZSA-N 1 0 376.307 2.991 20 0 GFADRO CC1(C)C[NH2+]CCN1C(=O)c1ccc(I)c(Cl)c1 ZINC000226277980 553061693 /nfs/dbraw/zinc/06/16/93/553061693.db2.gz XTHLYOVFDXNLEX-UHFFFAOYSA-N 1 0 378.641 2.769 20 0 GFADRO C[C@@H]1CCC[N@H+](CCNC(=O)C[C@@H]2Sc3ccc(Cl)cc3NC2=O)C1 ZINC000226500633 553061719 /nfs/dbraw/zinc/06/17/19/553061719.db2.gz CAMXNIMUMDBXBK-WBMJQRKESA-N 1 0 381.929 2.991 20 0 GFADRO CC[C@H]1C[N@H+](C)CCCN1S(=O)(=O)c1ccc(Br)c(C)c1 ZINC000234109844 553067346 /nfs/dbraw/zinc/06/73/46/553067346.db2.gz QPQCVUALBGUIEV-ZDUSSCGKSA-N 1 0 375.332 2.862 20 0 GFADRO O=C(N[C@@H]1CC[NH2+]C2(CCC2)C1)c1ccc(F)cc1I ZINC000236204647 553068659 /nfs/dbraw/zinc/06/86/59/553068659.db2.gz YTLYFPZAVOSHSX-LLVKDONJSA-N 1 0 388.224 2.835 20 0 GFADRO CC(=O)N1CCN(CC[NH2+]CC2=Cc3cc(Cl)cc(Cl)c3OC2)CC1 ZINC000236621604 553069697 /nfs/dbraw/zinc/06/96/97/553069697.db2.gz VBYRSMWKHQZBRQ-UHFFFAOYSA-N 1 0 384.307 2.523 20 0 GFADRO CC(C)[C@H]([NH3+])CCN(C)C(=O)[C@@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000236608648 553069746 /nfs/dbraw/zinc/06/97/46/553069746.db2.gz ILCYJFWNNSUVKM-UKRRQHHQSA-N 1 0 396.329 2.634 20 0 GFADRO O=C(CCc1ncc(-c2ccccc2Br)o1)N[C@H]1CCC[NH2+]C1 ZINC000236590731 553069943 /nfs/dbraw/zinc/06/99/43/553069943.db2.gz UWWIELICYFMNHL-LBPRGKRZSA-N 1 0 378.270 2.905 20 0 GFADRO O=C(NCC[NH2+]Cc1cccc2c1OCCO2)c1ccc(Br)cc1 ZINC000236669585 553070268 /nfs/dbraw/zinc/07/02/68/553070268.db2.gz LVKXKRDZHSSJFY-UHFFFAOYSA-N 1 0 391.265 2.740 20 0 GFADRO CCOc1ccc(S(=O)(=O)NC[C@H]([NH3+])c2ccccc2)cc1Br ZINC000236864973 553072087 /nfs/dbraw/zinc/07/20/87/553072087.db2.gz WOJNPPNAVVLZJQ-HNNXBMFYSA-N 1 0 399.310 2.826 20 0 GFADRO CC(C)C[C@H](C[NH3+])NC(=O)CCC[S@@](=O)c1ccc(Br)cc1 ZINC000236835230 553072387 /nfs/dbraw/zinc/07/23/87/553072387.db2.gz YGVHWCWYIPEVJK-JLCFBVMHSA-N 1 0 389.359 2.827 20 0 GFADRO CC[NH2+]CCNC(=O)[C@@H](CCSC)NC(=O)c1ccc(Cl)cc1Cl ZINC000236930224 553073122 /nfs/dbraw/zinc/07/31/22/553073122.db2.gz WXGPDPJFFKJUGM-CQSZACIVSA-N 1 0 392.352 2.571 20 0 GFADRO COc1cc(C)c(Br)cc1S(=O)(=O)N1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000237094356 553074425 /nfs/dbraw/zinc/07/44/25/553074425.db2.gz OQTKXHNKLNCWSA-MFKMUULPSA-N 1 0 391.331 2.514 20 0 GFADRO C[NH2+]C[C@H]1CCCN1C(=O)CCC[S@@](=O)c1ccc(Br)cc1 ZINC000237218404 553075852 /nfs/dbraw/zinc/07/58/52/553075852.db2.gz DERDQIUHFRETPZ-JLCFBVMHSA-N 1 0 387.343 2.547 20 0 GFADRO C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C1 ZINC000237236424 553076032 /nfs/dbraw/zinc/07/60/32/553076032.db2.gz OUYVFOVYIUFIGI-JSGCOSHPSA-N 1 0 384.307 2.804 20 0 GFADRO C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)[C@H]2CCCC[NH2+]2)CC1 ZINC000237432647 553077654 /nfs/dbraw/zinc/07/76/54/553077654.db2.gz AUSNQUFCZJPHGL-RHSMWYFYSA-N 1 0 380.330 2.796 20 0 GFADRO C[C@@H](C[NH3+])N(C)C(=O)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000237410640 553077811 /nfs/dbraw/zinc/07/78/11/553077811.db2.gz KIJVCFWLKMMEBC-JTQLQIEISA-N 1 0 378.826 2.776 20 0 GFADRO C[C@H](NC(=O)C1([NH3+])CCCC1)c1nc(-c2ccc(Br)cc2)no1 ZINC000237551414 553078610 /nfs/dbraw/zinc/07/86/10/553078610.db2.gz FTIBHZGQMJDPDW-JTQLQIEISA-N 1 0 379.258 2.948 20 0 GFADRO C[C@]1(C(=O)NCC2(c3cccc(Br)c3)CCOCC2)CC[NH2+]C1 ZINC000237547397 553078872 /nfs/dbraw/zinc/07/88/72/553078872.db2.gz BHQKDVSDHUMFCF-KRWDZBQOSA-N 1 0 381.314 2.613 20 0 GFADRO C[C@@H](CC(=O)N(C)CC(=O)Nc1ccccc1Br)[C@@H]1CCC[NH2+]C1 ZINC000237519649 553078959 /nfs/dbraw/zinc/07/89/59/553078959.db2.gz SKNJPLWUFZQWLS-UONOGXRCSA-N 1 0 396.329 2.872 20 0 GFADRO C[C@@]1(C(=O)NCC2(c3ccc(Br)cc3)CCOCC2)CC[NH2+]C1 ZINC000237574496 553079355 /nfs/dbraw/zinc/07/93/55/553079355.db2.gz QCXNGFCHBYZBOC-QGZVFWFLSA-N 1 0 381.314 2.613 20 0 GFADRO C[C@H](CC(=O)NCC(=O)Nc1ccc(Br)cc1)C1CC[NH2+]CC1 ZINC000237602936 553079944 /nfs/dbraw/zinc/07/99/44/553079944.db2.gz RDHZQUMXMAZWDE-GFCCVEGCSA-N 1 0 382.302 2.530 20 0 GFADRO [NH3+]CC1(NC(=O)CCc2nc(-c3cc(Br)cs3)no2)CCCC1 ZINC000237775097 553081816 /nfs/dbraw/zinc/08/18/16/553081816.db2.gz IINQGCPTCDXPNJ-UHFFFAOYSA-N 1 0 399.314 2.881 20 0 GFADRO [NH3+][C@H]1CCC[C@@H]1C(=O)N1CCC(C(=O)Nc2ccccc2Br)CC1 ZINC000237834282 553082780 /nfs/dbraw/zinc/08/27/80/553082780.db2.gz GWFNYOLKERLUHT-ZFWWWQNUSA-N 1 0 394.313 2.754 20 0 GFADRO O=S(=O)(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(Br)c(Cl)c1 ZINC000237852037 553082972 /nfs/dbraw/zinc/08/29/72/553082972.db2.gz LLWRVDCHSSUOKL-ULKQDVFKSA-N 1 0 379.707 2.664 20 0 GFADRO [NH3+]Cc1ccc(C(=O)N2CCN(C(=O)c3cccc(Cl)c3Cl)CC2)o1 ZINC000237949906 553084097 /nfs/dbraw/zinc/08/40/97/553084097.db2.gz POMXWHIQKWCGLF-UHFFFAOYSA-N 1 0 382.247 2.643 20 0 GFADRO [NH3+][C@@H]1CCN(C(=O)CCCCCc2ccc(I)cc2)C1 ZINC000237978887 553084453 /nfs/dbraw/zinc/08/44/53/553084453.db2.gz SFBQWXBLIFNFKR-OAHLLOKOSA-N 1 0 386.277 2.954 20 0 GFADRO [NH3+]CCCCCCC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 ZINC000238004912 553085060 /nfs/dbraw/zinc/08/50/60/553085060.db2.gz WJMDPSANMWSWHE-UHFFFAOYSA-N 1 0 387.933 2.972 20 0 GFADRO [NH3+]CCCCNC(=O)Cc1ccc(NC(=O)c2ccc(Br)o2)cc1 ZINC000238028074 553085126 /nfs/dbraw/zinc/08/51/26/553085126.db2.gz DWLACRNVHSBYJO-UHFFFAOYSA-N 1 0 394.269 2.692 20 0 GFADRO [NH3+][C@H]1CCC[C@@H](C(=O)Nc2cc(Br)ccc2N2CCOCC2)C1 ZINC000238021608 553085283 /nfs/dbraw/zinc/08/52/83/553085283.db2.gz MDFAMGDIRHLWDF-OCCSQVGLSA-N 1 0 382.302 2.742 20 0 GFADRO [NH3+]CCCCNC(=O)c1ccc(Br)cc1I ZINC000238045127 553085844 /nfs/dbraw/zinc/08/58/44/553085844.db2.gz ARBJLLPNCPNHEE-UHFFFAOYSA-N 1 0 397.054 2.522 20 0 GFADRO C[C@H](C(=O)NCCNC(=O)c1cccc(Br)c1)[NH+]1[C@H](C)CC[C@H]1C ZINC000245203759 553089255 /nfs/dbraw/zinc/08/92/55/553089255.db2.gz JPAAFOVRYBGSIQ-MGPQQGTHSA-N 1 0 396.329 2.556 20 0 GFADRO CC(C)n1cnc(S(=O)(=O)NC[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)c1 ZINC000245517912 553091521 /nfs/dbraw/zinc/09/15/21/553091521.db2.gz AIBHFVYNNOBLGE-RHSMWYFYSA-N 1 0 382.555 2.887 20 0 GFADRO CC[C@@H]1CN(C(=O)c2c[nH]c3cccc(Br)c32)CC[N@@H+]1C[C@H](C)O ZINC000245587951 553093686 /nfs/dbraw/zinc/09/36/86/553093686.db2.gz KBRPPBJAACDSLJ-QWHCGFSZSA-N 1 0 394.313 2.848 20 0 GFADRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1cncc(I)c1 ZINC000245633848 553094415 /nfs/dbraw/zinc/09/44/15/553094415.db2.gz FYLTUDUNQQVXLK-NEPJUHHUSA-N 1 0 387.265 2.536 20 0 GFADRO Cc1ccc(Br)c(S(=O)(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)c1 ZINC000245672736 553095002 /nfs/dbraw/zinc/09/50/02/553095002.db2.gz DGMBYOVPVXLICF-UKRRQHHQSA-N 1 0 387.343 2.862 20 0 GFADRO CN1CCO[C@H]([C@@H](NC(=O)NC2CCSCC2)c2ccc(Cl)cc2)C1 ZINC000245790372 553097230 /nfs/dbraw/zinc/09/72/30/553097230.db2.gz WZIUHOUXMVUKFY-IRXDYDNUSA-N 1 0 383.945 2.907 20 0 GFADRO CS(=O)(=O)[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](O)COc1cccc(Cl)c1Cl ZINC000246065788 553101645 /nfs/dbraw/zinc/10/16/45/553101645.db2.gz RYGRNHQGWMBRLI-UXIGCNINSA-N 1 0 396.336 2.679 20 0 GFADRO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)c1cccnc1Br ZINC000246146970 553103281 /nfs/dbraw/zinc/10/32/81/553103281.db2.gz YUGDAVHOUFPUHG-XJKSGUPXSA-N 1 0 389.297 2.880 20 0 GFADRO CCOc1ccc(S(=O)(=O)N2CCC[C@H](C)[C@H]2C[NH3+])cc1Br ZINC000246283454 553105614 /nfs/dbraw/zinc/10/56/14/553105614.db2.gz BBZQNFQDSZMHHC-SMDDNHRTSA-N 1 0 391.331 2.596 20 0 GFADRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)Cc1ccccc1I ZINC000246281193 553105696 /nfs/dbraw/zinc/10/56/96/553105696.db2.gz NPOLVFAFNGOZNW-SWLSCSKDSA-N 1 0 386.277 2.632 20 0 GFADRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Cc2ccccc2I)C1 ZINC000246309090 553106035 /nfs/dbraw/zinc/10/60/35/553106035.db2.gz QVMSWCPJVQSBRG-HOCLYGCPSA-N 1 0 398.288 2.776 20 0 GFADRO O=C([C@@H]1C[C@H]1c1cccc(Br)c1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000246460033 553107504 /nfs/dbraw/zinc/10/75/04/553107504.db2.gz MYTOYQRAOIUBQO-FHLIZLRMSA-N 1 0 393.325 2.733 20 0 GFADRO CC[C@@H]1CN(C(=O)c2cc(Cl)c(Cl)cc2OC)CC[N@@H+]1C[C@H](C)O ZINC000246536731 553109047 /nfs/dbraw/zinc/10/90/47/553109047.db2.gz XFPNEXXEVYCRHK-NWDGAFQWSA-N 1 0 375.296 2.919 20 0 GFADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@H](C)Oc2ccccc2Br)C1 ZINC000246566392 553110203 /nfs/dbraw/zinc/11/02/03/553110203.db2.gz LFFSXHVTZDFSDI-LSDHHAIUSA-N 1 0 399.329 2.689 20 0 GFADRO C[C@H](C(=O)Nc1cccc(Br)c1)[N@@H+]1CCC[C@@H](Cn2ccnn2)C1 ZINC000246728497 553112210 /nfs/dbraw/zinc/11/22/10/553112210.db2.gz ONFRAUMPCNZPRA-ZIAGYGMSSA-N 1 0 392.301 2.780 20 0 GFADRO Cc1ccc(NC(=O)[C@@H](C)N2CCC[C@@H](OCCO)C2)c(Br)c1 ZINC000246741998 553112935 /nfs/dbraw/zinc/11/29/35/553112935.db2.gz INPMHLHYTPCCIE-ZIAGYGMSSA-N 1 0 385.302 2.558 20 0 GFADRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Cc2cccc(I)c2)C1 ZINC000246816747 553113793 /nfs/dbraw/zinc/11/37/93/553113793.db2.gz SAVWTHXBJIAHAZ-HOCLYGCPSA-N 1 0 398.288 2.776 20 0 GFADRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2n[nH]c3ccc(Br)cc32)C1 ZINC000246842593 553114397 /nfs/dbraw/zinc/11/43/97/553114397.db2.gz SZHLETBOMHWLGI-NHYWBVRUSA-N 1 0 377.286 2.882 20 0 GFADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)NCCc3nc(C(F)(F)F)cs3)CC[C@H]21 ZINC000247356330 553121549 /nfs/dbraw/zinc/12/15/49/553121549.db2.gz YKQNWQZWYKAQFZ-VXGBXAGGSA-N 1 0 376.448 2.830 20 0 GFADRO C[N@@H+]1CCC[C@@H]2C[NH+](C[C@H](O)COc3ccc(Br)cc3)CC[C@H]21 ZINC000247883454 553126762 /nfs/dbraw/zinc/12/67/62/553126762.db2.gz CHOBRQITMZYPQT-UWWQBHOKSA-N 1 0 383.330 2.605 20 0 GFADRO [NH3+][C@@H]1CC[C@H]2CN(S(=O)(=O)c3c(Cl)cc(F)cc3Br)C[C@H]12 ZINC000248629051 553132032 /nfs/dbraw/zinc/13/20/32/553132032.db2.gz OQEUHYAVSPLIKS-QOSJWCAFSA-N 1 0 397.697 2.599 20 0 GFADRO Cc1c(Br)ccc(NC(=O)C(=O)N2C[C@H]3CCC[N@H+]3C[C@H]2C)c1F ZINC000248685078 553133280 /nfs/dbraw/zinc/13/32/80/553133280.db2.gz SMFPIWBOWDQJNJ-ZYHUDNBSSA-N 1 0 398.276 2.530 20 0 GFADRO Cn1nc(Br)cc1C(=O)N[C@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1 ZINC000248858089 553136261 /nfs/dbraw/zinc/13/62/61/553136261.db2.gz WRBZGIPBQCPYGD-WFASDCNBSA-N 1 0 399.239 2.636 20 0 GFADRO COc1cc(Br)ccc1[C@@H](C)[NH2+]CC(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000248934725 553137456 /nfs/dbraw/zinc/13/74/56/553137456.db2.gz BTGRLAMUJBUQHX-FRRDWIJNSA-N 1 0 385.302 2.744 20 0 GFADRO Cc1cc(S(=O)(=O)N2CCC[C@@H]2CN2C[C@H](C)O[C@@H](C)C2)sc1Cl ZINC000248993083 553137911 /nfs/dbraw/zinc/13/79/11/553137911.db2.gz YUZIOLPAAGDDCH-MELADBBJSA-N 1 0 392.974 2.972 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(Br)c(C)nc2OC)[C@@H](C)C1 ZINC000249146487 553140154 /nfs/dbraw/zinc/14/01/54/553140154.db2.gz UPJVISHXJNUWHW-XHDPSFHLSA-N 1 0 384.318 2.963 20 0 GFADRO C[C@@H]1CN(C(=O)[C@H]2C[C@@H]2c2cccc(Br)c2)CC[N@@H+]1CC(C)(C)O ZINC000249332928 553142047 /nfs/dbraw/zinc/14/20/47/553142047.db2.gz HTBHNODFOJSTSV-XYPHTWIQSA-N 1 0 395.341 2.856 20 0 GFADRO C[C@H](Oc1ccc(Br)cc1)C(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C ZINC000249408736 553142795 /nfs/dbraw/zinc/14/27/95/553142795.db2.gz UWLVZGCQUWYDAN-KGLIPLIRSA-N 1 0 399.329 2.520 20 0 GFADRO O=C(C[C@H]1Sc2ccc(Cl)cc2NC1=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000250303805 553147222 /nfs/dbraw/zinc/14/72/22/553147222.db2.gz ZLBKAQHAITZNMT-XJKSGUPXSA-N 1 0 379.913 2.840 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)C(=O)N[C@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000250640776 553148075 /nfs/dbraw/zinc/14/80/75/553148075.db2.gz UBJYSOSKFXBVMK-TZMCWYRMSA-N 1 0 396.329 2.933 20 0 GFADRO C[C@H](Cc1ccc(Br)cc1)[NH2+]C[C@@H]1CCC[C@H]1NS(C)(=O)=O ZINC000253351738 553150917 /nfs/dbraw/zinc/15/09/17/553150917.db2.gz LLKOPQNMOZAQJF-IVMMDQJWSA-N 1 0 389.359 2.688 20 0 GFADRO C[C@]1(C[NH3+])CCN(C(=O)c2cc(Cl)ccc2I)C1 ZINC000261554691 553153685 /nfs/dbraw/zinc/15/36/85/553153685.db2.gz BBXHGZWSFHOSOJ-CYBMUJFWSA-N 1 0 378.641 2.756 20 0 GFADRO [NH3+][C@@H]1CN(S(=O)(=O)c2ccc(F)cc2Br)C[C@H]1c1ccccc1 ZINC000261601182 553153976 /nfs/dbraw/zinc/15/39/76/553153976.db2.gz AEPAJRNLEQPNNS-DZGCQCFKSA-N 1 0 399.285 2.704 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)c2[nH]nc(C3CC3)c2Br)C[C@H]1c1ccccc1 ZINC000261611707 553154117 /nfs/dbraw/zinc/15/41/17/553154117.db2.gz BYLSGLUDJOQTIF-KGLIPLIRSA-N 1 0 389.297 2.864 20 0 GFADRO COCC1(CNC(=O)C2(c3cccc(Br)c3)CC2)CC[NH2+]CC1 ZINC000261711359 553157496 /nfs/dbraw/zinc/15/74/96/553157496.db2.gz KORLMFHYIJCYEO-UHFFFAOYSA-N 1 0 381.314 2.613 20 0 GFADRO COCC1(CNC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)CC[NH2+]CC1 ZINC000261727257 553157542 /nfs/dbraw/zinc/15/75/42/553157542.db2.gz MGRFTCJDASDYSG-GFCCVEGCSA-N 1 0 375.296 2.893 20 0 GFADRO C[C@@H](NS(=O)(=O)c1c(Cl)cccc1Br)[C@H]1CCC[NH2+]C1 ZINC000261765286 553158416 /nfs/dbraw/zinc/15/84/16/553158416.db2.gz OEAPEKDNCWSBNV-ZJUUUORDSA-N 1 0 381.723 2.769 20 0 GFADRO O=C(CC[C@@H]1CC[NH2+]C1)NC1(c2ccc(Br)cc2)CCOCC1 ZINC000261792803 553159388 /nfs/dbraw/zinc/15/93/88/553159388.db2.gz CXYAPLQZGYOZGH-CQSZACIVSA-N 1 0 381.314 2.961 20 0 GFADRO Cc1ccc(C(=O)Nc2ccc(N3CC[NH2+]CC3)cn2)cc1Br ZINC000261810563 553159764 /nfs/dbraw/zinc/15/97/64/553159764.db2.gz GJBFJVZVIRMHCT-UHFFFAOYSA-N 1 0 375.270 2.814 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CCCN(Cc2ccc(Br)cc2N2CCOCC2)C1 ZINC000261796063 553159793 /nfs/dbraw/zinc/15/97/93/553159793.db2.gz GOXGTVPYCUKEBU-CABCVRRESA-N 1 0 382.346 2.845 20 0 GFADRO Cc1c(C(=O)N2C[C@H](C[NH3+])C[C@H]2C)cnn1-c1ccc(Br)cc1 ZINC000261831523 553160573 /nfs/dbraw/zinc/16/05/73/553160573.db2.gz OIMSBQKJMLKZSS-YPMHNXCESA-N 1 0 377.286 2.753 20 0 GFADRO Cc1ccc(C(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1I ZINC000261901227 553162212 /nfs/dbraw/zinc/16/22/12/553162212.db2.gz WIJCDQRUCDCNJX-OKILXGFUSA-N 1 0 384.261 2.671 20 0 GFADRO COCC1(C(=O)N[C@@H](C)c2ccc(OC)c(Br)c2)CC[NH2+]CC1 ZINC000261853020 553161234 /nfs/dbraw/zinc/16/12/34/553161234.db2.gz JPMZJZZUXSCQJQ-LBPRGKRZSA-N 1 0 385.302 2.651 20 0 GFADRO O=C(N[C@@H]1CCSc2ccc(Cl)cc21)C1(n2cccn2)CC[NH2+]CC1 ZINC000261865591 553161255 /nfs/dbraw/zinc/16/12/55/553161255.db2.gz COOJCDDHKLMVNE-OAHLLOKOSA-N 1 0 376.913 2.969 20 0 GFADRO CCCN([C@@H]1CC[NH2+]C1)S(=O)(=O)c1c(Cl)cccc1Br ZINC000261872170 553161554 /nfs/dbraw/zinc/16/15/54/553161554.db2.gz ZGOOEBIJVFRTRX-SNVBAGLBSA-N 1 0 381.723 2.865 20 0 GFADRO [NH3+]C1(c2noc(-c3n[nH]c4ccc(I)cc43)n2)CCCC1 ZINC000261872991 553161882 /nfs/dbraw/zinc/16/18/82/553161882.db2.gz VKXQZVHJVVAVBZ-UHFFFAOYSA-N 1 0 395.204 2.946 20 0 GFADRO O=C(CC[C@H]1CC[NH2+]C1)N1CCN(C(=O)c2cccc(Cl)c2Cl)CC1 ZINC000261899804 553162245 /nfs/dbraw/zinc/16/22/45/553162245.db2.gz UXWHNQFDOGAJQQ-ZDUSSCGKSA-N 1 0 384.307 2.668 20 0 GFADRO O=C(N[C@H]1CCN(c2ccccc2Br)C1)[C@H]1CC12CC[NH2+]CC2 ZINC000261922402 553162686 /nfs/dbraw/zinc/16/26/86/553162686.db2.gz JCLHDHIEPOKWMP-UONOGXRCSA-N 1 0 378.314 2.534 20 0 GFADRO O=C(CCSc1ccc(Cl)cc1)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000261940401 553162997 /nfs/dbraw/zinc/16/29/97/553162997.db2.gz JIJJNGFJJWZODP-AWEZNQCLSA-N 1 0 395.878 2.775 20 0 GFADRO [NH3+][C@H]1CCN(Cc2cc(I)c(Br)cc2F)C1 ZINC000261966878 553163384 /nfs/dbraw/zinc/16/33/84/553163384.db2.gz PWXBFBSIROTBMP-QMMMGPOBSA-N 1 0 399.045 2.726 20 0 GFADRO CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)C[C@H]1COCC[NH2+]1 ZINC000262024462 553164855 /nfs/dbraw/zinc/16/48/55/553164855.db2.gz DFWWUOUHRSQKGJ-ZDUSSCGKSA-N 1 0 388.295 2.549 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CCCN(S(=O)(=O)c2cccc(Br)c2Cl)C1 ZINC000262105640 553165740 /nfs/dbraw/zinc/16/57/40/553165740.db2.gz UATABMDRRKFMNO-ZJUUUORDSA-N 1 0 381.723 2.850 20 0 GFADRO CCOc1cc(Br)c(CC(=O)N2CC[C@](C)(C[NH3+])C2)cc1OCC ZINC000262103319 553165896 /nfs/dbraw/zinc/16/58/96/553165896.db2.gz VEVNPAOBZVYCBS-GOSISDBHSA-N 1 0 399.329 2.986 20 0 GFADRO CSc1ccc(-c2csc(NC(=O)CNC(=O)[C@@H]([NH3+])C(C)C)n2)cc1 ZINC000262126168 553166565 /nfs/dbraw/zinc/16/65/65/553166565.db2.gz NPSFKQBPVNKXEV-HNNXBMFYSA-N 1 0 378.523 2.570 20 0 GFADRO O=S(=O)(Cc1ccc(Br)cc1)NC[C@H]1[NH2+]CCc2ccccc21 ZINC000262328147 553169230 /nfs/dbraw/zinc/16/92/30/553169230.db2.gz RHKWJBQBSJHQCA-QGZVFWFLSA-N 1 0 395.322 2.756 20 0 GFADRO COC(=O)C[C@H](NC(=O)[C@H]1CC[NH2+][C@@H](C)C1)c1ccc(Br)cc1 ZINC000262376135 553170002 /nfs/dbraw/zinc/17/00/02/553170002.db2.gz KQMKXLHUPCOLIH-WHOFXGATSA-N 1 0 383.286 2.558 20 0 GFADRO COC(=O)C[C@H](NC(=O)[C@H]1CC[NH2+][C@@H](C)C1)c1cccc(Br)c1 ZINC000262456544 553170676 /nfs/dbraw/zinc/17/06/76/553170676.db2.gz VJCVFVWOXNRVBY-WHOFXGATSA-N 1 0 383.286 2.558 20 0 GFADRO C[C@H](C[NH3+])C(=O)N[C@@H](c1ccc(Cl)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000262527600 553172017 /nfs/dbraw/zinc/17/20/17/553172017.db2.gz LOLSHZROJBEMGY-PXAZEXFGSA-N 1 0 380.897 2.544 20 0 GFADRO O=S(=O)(c1ccc(Br)c(F)c1)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000262518099 553172124 /nfs/dbraw/zinc/17/21/24/553172124.db2.gz NTKCUOGMYUWGCD-OAHLLOKOSA-N 1 0 391.306 2.741 20 0 GFADRO Cc1ccc([C@@H]([NH3+])C(=O)N2CCC(n3cc(Br)cn3)CC2)cc1 ZINC000262689662 553173837 /nfs/dbraw/zinc/17/38/37/553173837.db2.gz ZDFCXIXJCMXHCC-MRXNPFEDSA-N 1 0 377.286 2.818 20 0 GFADRO COc1ccc(S(=O)(=O)NCc2ccc3c(c2)C[NH2+]C3)c(Br)c1 ZINC000262742165 553174593 /nfs/dbraw/zinc/17/45/93/553174593.db2.gz CMMIMZQZQOGVOM-UHFFFAOYSA-N 1 0 397.294 2.539 20 0 GFADRO COc1cc(NC(=O)c2ccn([C@@H]3CCC[NH2+]C3)n2)ccc1Br ZINC000262760603 553175177 /nfs/dbraw/zinc/17/51/77/553175177.db2.gz LKTBUPPHBQDPLD-GFCCVEGCSA-N 1 0 379.258 2.831 20 0 GFADRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)c1nn(-c2ccc(F)cc2)cc1Br ZINC000262765341 553175236 /nfs/dbraw/zinc/17/52/36/553175236.db2.gz KYWFURSNMNIGOQ-YGRLFVJLSA-N 1 0 381.249 2.502 20 0 GFADRO COC(=O)c1ccc(Cl)cc1S(=O)(=O)NCC[NH2+]C1CCCCCC1 ZINC000262769275 553175242 /nfs/dbraw/zinc/17/52/42/553175242.db2.gz VIZHNTLZNNEXQT-UHFFFAOYSA-N 1 0 388.917 2.717 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CCCC2)CC[NH2+]1 ZINC000262788180 553175613 /nfs/dbraw/zinc/17/56/13/553175613.db2.gz CVYOSNMDINHGQW-UKRRQHHQSA-N 1 0 384.929 2.683 20 0 GFADRO C[NH2+]C[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2Br)C1 ZINC000262793851 553176057 /nfs/dbraw/zinc/17/60/57/553176057.db2.gz SRRSRPBGUFBLKF-SNVBAGLBSA-N 1 0 381.723 2.723 20 0 GFADRO CO[C@@H](C[NH3+])CC(=O)N1CCC(OCc2ccc(Cl)c(Cl)c2)CC1 ZINC000262801448 553176205 /nfs/dbraw/zinc/17/62/05/553176205.db2.gz QZSBCMMKSHLHAA-CQSZACIVSA-N 1 0 375.296 2.865 20 0 GFADRO COc1ccc(-c2csc(NC(=O)C[C@@H]3CSCC[NH2+]3)n2)cc1OC ZINC000262807053 553176471 /nfs/dbraw/zinc/17/64/71/553176471.db2.gz QGVOYZJISYFIDE-GFCCVEGCSA-N 1 0 379.507 2.861 20 0 GFADRO [NH3+]Cc1cc(C(=O)N2CCN(Cc3ccc(Br)s3)CC2)co1 ZINC000262822864 553176881 /nfs/dbraw/zinc/17/68/81/553176881.db2.gz YTQLAZKMKBQRRF-UHFFFAOYSA-N 1 0 384.299 2.520 20 0 GFADRO C[C@H](Cc1cccc(Br)c1)NC(=O)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000262858347 553177488 /nfs/dbraw/zinc/17/74/88/553177488.db2.gz WDDYOXJMQVBHQJ-CZUORRHYSA-N 1 0 391.313 2.931 20 0 GFADRO CO[C@@H](C[NH3+])CC(=O)NCCCCSc1ccccc1Br ZINC000262895949 553178438 /nfs/dbraw/zinc/17/84/38/553178438.db2.gz PBKVYSWBHYQYLB-GFCCVEGCSA-N 1 0 375.332 2.801 20 0 GFADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)c1cc(Cl)sc1Cl ZINC000263675141 553190632 /nfs/dbraw/zinc/19/06/32/553190632.db2.gz JPKJFNKVTDKIMT-LLVKDONJSA-N 1 0 378.325 2.727 20 0 GFADRO CC(C)NC(=O)C[NH+]1CCC(C(=O)Nc2cccc(Br)c2)CC1 ZINC000263680517 553190788 /nfs/dbraw/zinc/19/07/88/553190788.db2.gz IGWZVJAPSZDKOT-UHFFFAOYSA-N 1 0 382.302 2.624 20 0 GFADRO CC[C@@H](O)[C@H](CC)[NH2+]Cc1cc(I)c(OC)c(OC)c1 ZINC000449639290 564192830 /nfs/dbraw/zinc/19/28/30/564192830.db2.gz OJELTDFVSITCGV-QWHCGFSZSA-N 1 0 393.265 2.948 20 0 GFADRO C[C@@H](CN1CC[NH+](C)CC1)Nc1ncc(Br)cc1C(F)(F)F ZINC000450317102 564226424 /nfs/dbraw/zinc/22/64/24/564226424.db2.gz JFFROLOQGBUMQM-JTQLQIEISA-N 1 0 381.240 2.911 20 0 GFADRO C[N@@H+]1CC[C@](O)(CNCc2ccc(OC(F)(F)F)c(Br)c2)C1 ZINC000474933571 564293417 /nfs/dbraw/zinc/29/34/17/564293417.db2.gz XKXNBRXHUFWGBD-ZDUSSCGKSA-N 1 0 383.208 2.504 20 0 GFADRO FC(F)(F)Cn1cc(C[NH2+]CCCCn2cc(Br)cn2)cn1 ZINC000475205547 564303034 /nfs/dbraw/zinc/30/30/34/564303034.db2.gz RVRGHWLZFNGPNZ-UHFFFAOYSA-N 1 0 380.212 2.974 20 0 GFADRO C[C@@H]([NH3+])[C@H](C)NC(=O)c1cccn1-c1ccc(I)cc1 ZINC000566214093 564317500 /nfs/dbraw/zinc/31/75/00/564317500.db2.gz FVAYHCAWQLRDGB-MNOVXSKESA-N 1 0 383.233 2.547 20 0 GFADRO Cc1cc(Br)cc(C[NH2+]CCc2ncn(C)n2)c1OC(F)F ZINC000478325652 564399025 /nfs/dbraw/zinc/39/90/25/564399025.db2.gz IDCWDGKOSQIOKA-UHFFFAOYSA-N 1 0 375.217 2.820 20 0 GFADRO CCc1sc(C(=O)NC[C@@H]2CCC[N@@H+]2CCCO)cc1Br ZINC000452346004 564406584 /nfs/dbraw/zinc/40/65/84/564406584.db2.gz TUYDAEGABSOSSA-NSHDSACASA-N 1 0 375.332 2.650 20 0 GFADRO CNS(=O)(=O)CC[NH2+][C@H]1C[C@@H](C)CCc2ccc(Br)cc21 ZINC000479455766 564440574 /nfs/dbraw/zinc/44/05/74/564440574.db2.gz ONWVHKIWICIRNT-NHYWBVRUSA-N 1 0 375.332 2.601 20 0 GFADRO CN(C)S(=O)(=O)CC[NH2+][C@H]1CCCCc2ccc(Br)cc21 ZINC000453256911 564450728 /nfs/dbraw/zinc/45/07/28/564450728.db2.gz RVURZCIJQPZRNL-HNNXBMFYSA-N 1 0 375.332 2.698 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1cc(Br)sc1Cl ZINC000491336856 564790208 /nfs/dbraw/zinc/79/02/08/564790208.db2.gz XCFPCJZWOUFOSX-QMMMGPOBSA-N 1 0 387.752 2.927 20 0 GFADRO Cn1ncc(Br)c1C[NH2+]CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000278584545 563262565 /nfs/dbraw/zinc/26/25/65/563262565.db2.gz YXSDMTXRNUYHNA-GFCCVEGCSA-N 1 0 387.322 2.919 20 0 GFADRO Cc1sc(Br)nc1C(=O)N1CCC([N@H+]2CCO[C@@H](C)C2)CC1 ZINC000372987670 563324934 /nfs/dbraw/zinc/32/49/34/563324934.db2.gz ZXDPTJBRRDOKAM-JTQLQIEISA-N 1 0 388.331 2.539 20 0 GFADRO CCCC[C@@H](C[NH3+])N[C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000423300158 563359533 /nfs/dbraw/zinc/35/95/33/563359533.db2.gz QZHJAYPSUWMLHD-JSGCOSHPSA-N 1 0 375.332 2.775 20 0 GFADRO CC[C@H]1CN(S(=O)(=O)c2c(Cl)cccc2Br)CC[C@@H]1[NH3+] ZINC000312717843 563436875 /nfs/dbraw/zinc/43/68/75/563436875.db2.gz UMECIQCNAAERIA-CABZTGNLSA-N 1 0 381.723 2.850 20 0 GFADRO C[C@H](c1ccccc1)[NH+]1CCC(NS(=O)(=O)c2ncn(C)c2Cl)CC1 ZINC000369377073 563213338 /nfs/dbraw/zinc/21/33/38/563213338.db2.gz FDAZAOBSQJYTTC-CYBMUJFWSA-N 1 0 382.917 2.577 20 0 GFADRO Cc1c(Br)cc(C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)c(=O)n1C ZINC000277555588 563213583 /nfs/dbraw/zinc/21/35/83/563213583.db2.gz YAXZGNNQXWEJDA-AWEZNQCLSA-N 1 0 398.326 2.550 20 0 GFADRO O=C(N[C@H]1CCc2c1ccc(F)c2Br)N[C@@H]1C[NH2+]CCC1(F)F ZINC000418255071 563215017 /nfs/dbraw/zinc/21/50/17/563215017.db2.gz RIEAOPPKGCGBKU-NWDGAFQWSA-N 1 0 392.219 2.872 20 0 GFADRO O=C(NCCCN1CC[NH2+]CC1)N1CCC[C@H]1c1cccc(Br)c1 ZINC000418285574 563215789 /nfs/dbraw/zinc/21/57/89/563215789.db2.gz GBJUENMDGHOECH-KRWDZBQOSA-N 1 0 395.345 2.591 20 0 GFADRO CC(C)[C@H]([NH3+])CNC(=O)N1CCO[C@H](c2ccc(F)c(Br)c2)C1 ZINC000418384580 563216313 /nfs/dbraw/zinc/21/63/13/563216313.db2.gz KJAKZBGSZGQCQY-CABCVRRESA-N 1 0 388.281 2.654 20 0 GFADRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)N[C@@H](CCO)c1ccccc1Br ZINC000418405112 563217279 /nfs/dbraw/zinc/21/72/79/563217279.db2.gz DBIUCWPUZRJCQG-RCBQFDQVSA-N 1 0 384.318 2.689 20 0 GFADRO CC(C)([NH3+])CNC(=O)N(CCc1ccc(Cl)cc1)C[C@@H](O)C(F)(F)F ZINC000418418431 563217339 /nfs/dbraw/zinc/21/73/39/563217339.db2.gz WWHDDXFKKDUXME-CYBMUJFWSA-N 1 0 381.826 2.555 20 0 GFADRO CC(C)C[C@H](C[NH3+])NC(=O)N1CCN(c2cccc(Br)c2)CC1 ZINC000418448174 563217940 /nfs/dbraw/zinc/21/79/40/563217940.db2.gz RKPQFSJGDVLIIR-OAHLLOKOSA-N 1 0 383.334 2.654 20 0 GFADRO CC1(CNC(=O)N[C@@H](CCO)c2ccccc2Br)CC[NH2+]CC1 ZINC000418525628 563219108 /nfs/dbraw/zinc/21/91/08/563219108.db2.gz YAROOPOXWFEFMU-HNNXBMFYSA-N 1 0 384.318 2.562 20 0 GFADRO CC[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)N[C@H](C)CC[NH3+])CC1 ZINC000418553747 563220161 /nfs/dbraw/zinc/22/01/61/563220161.db2.gz MVBVVIBKBNJZOM-PBHICJAKSA-N 1 0 397.361 2.965 20 0 GFADRO C[C@@H](CC[NH3+])NC(=O)N(Cc1cccc(Br)c1)C1CCOCC1 ZINC000418563271 563220189 /nfs/dbraw/zinc/22/01/89/563220189.db2.gz SGLKWDKIUSTLPG-ZDUSSCGKSA-N 1 0 384.318 2.877 20 0 GFADRO O[C@H]1COCCN(Cc2cc(Br)ccc2OCc2ccccn2)C1 ZINC000294880994 563220378 /nfs/dbraw/zinc/22/03/78/563220378.db2.gz VOLIDXBLLUNWOH-QGZVFWFLSA-N 1 0 393.281 2.616 20 0 GFADRO CCN(CCOc1ccc(Br)cc1)C(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000418604124 563220674 /nfs/dbraw/zinc/22/06/74/563220674.db2.gz XENFNTKZHVNGOI-BBRMVZONSA-N 1 0 384.318 2.857 20 0 GFADRO O=C1CC[C@@H](C[NH+]2CCN(Cc3cc(Br)ccc3F)CC2)CCN1 ZINC000294892637 563221067 /nfs/dbraw/zinc/22/10/67/563221067.db2.gz BCKITUGIXFKPTG-CQSZACIVSA-N 1 0 398.320 2.622 20 0 GFADRO [NH3+]C[C@@H](NC(=O)NC[C@H](O)COc1cccc(Cl)c1Cl)C1CCCC1 ZINC000418631600 563221270 /nfs/dbraw/zinc/22/12/70/563221270.db2.gz YFRWBTDQXQWYMM-GXTWGEPZSA-N 1 0 390.311 2.550 20 0 GFADRO CO[C@@H](C[NH3+])CC(=O)N1CCCC[C@H]1C(=O)Nc1cc(Cl)ccc1Cl ZINC000369663397 563221276 /nfs/dbraw/zinc/22/12/76/563221276.db2.gz LFBJDDLIDUGACS-DOMZBBRYSA-N 1 0 388.295 2.677 20 0 GFADRO CCN(Cc1ccc(Cl)s1)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000418609568 563221385 /nfs/dbraw/zinc/22/13/85/563221385.db2.gz FZRUMMHMRLOMCE-GFCCVEGCSA-N 1 0 398.882 2.769 20 0 GFADRO COCCN(Cc1sccc1Br)C(=O)N[C@H]1CC[NH2+][C@@H](C)C1 ZINC000418614011 563221453 /nfs/dbraw/zinc/22/14/53/563221453.db2.gz WXDXDPSMCCIEFQ-RYUDHWBXSA-N 1 0 390.347 2.809 20 0 GFADRO O=C(c1nc(C2CC2)ncc1Br)N1CC[NH+](C2CCCC2)CC1 ZINC000277694342 563221592 /nfs/dbraw/zinc/22/15/92/563221592.db2.gz DRFPRTHFMPZIRX-UHFFFAOYSA-N 1 0 379.302 2.817 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)N2CCO[C@H](c3cccc(Br)c3)C2)CC[NH2+]1 ZINC000418609690 563221710 /nfs/dbraw/zinc/22/17/10/563221710.db2.gz SOAYQLYQVFTXMJ-KCXAZCMYSA-N 1 0 382.302 2.673 20 0 GFADRO C[C@@H]([NH3+])[C@@H](C)NC(=O)N1CCC(C(=O)Nc2ccccc2Br)CC1 ZINC000418712945 563222583 /nfs/dbraw/zinc/22/25/83/563222583.db2.gz XOJSTFYDEKTMRS-VXGBXAGGSA-N 1 0 397.317 2.545 20 0 GFADRO C[C@@H](NC(=O)N1CCC[C@@H]1c1ccccc1I)[C@H](C)[NH3+] ZINC000418695093 563222587 /nfs/dbraw/zinc/22/25/87/563222587.db2.gz JCVYLYUZNHLUIM-MISXGVKJSA-N 1 0 387.265 2.873 20 0 GFADRO CC[C@@H]([NH3+])CNC(=O)N(CCc1ccc(Cl)cc1)C[C@@H](O)C(F)(F)F ZINC000418699754 563223056 /nfs/dbraw/zinc/22/30/56/563223056.db2.gz BAUIJPSUCVVQNO-ZIAGYGMSSA-N 1 0 381.826 2.555 20 0 GFADRO CC[NH+](CC)[C@@H](CNC(=O)C[S@@](=O)CC)c1ccc(C(F)(F)F)cc1 ZINC000294952816 563223059 /nfs/dbraw/zinc/22/30/59/563223059.db2.gz WAQCRXPACQHWNZ-MQNRADLISA-N 1 0 378.460 2.973 20 0 GFADRO C[C@@H](C[NH2+]CC1CCN(S(=O)(=O)C(F)F)CC1)c1cc(F)cc(F)c1 ZINC000294941232 563223132 /nfs/dbraw/zinc/22/31/32/563223132.db2.gz DVBBNOYTWDWQPH-NSHDSACASA-N 1 0 382.423 2.922 20 0 GFADRO [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)NCCNc1cccc(Br)c1 ZINC000418732863 563223301 /nfs/dbraw/zinc/22/33/01/563223301.db2.gz KIYMGLMEHBEYMT-FFMGESDNSA-N 1 0 381.318 2.676 20 0 GFADRO [NH3+][C@H]1CCC[C@@H](CNC(=O)N2CCOc3ccc(Br)cc3C2)C1 ZINC000418735072 563223590 /nfs/dbraw/zinc/22/35/90/563223590.db2.gz WAKBTHQGUBHHQY-DOMZBBRYSA-N 1 0 382.302 2.871 20 0 GFADRO CCN(Cc1cccc(Br)c1)C(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000418754067 563224222 /nfs/dbraw/zinc/22/42/22/563224222.db2.gz WDMKWVIPRDSVSW-ZDUSSCGKSA-N 1 0 376.245 2.978 20 0 GFADRO CC[NH2+][C@H](C)CNC(=O)C(=O)N[C@@H](c1cccs1)c1ccc(Cl)cc1 ZINC000418767379 563224956 /nfs/dbraw/zinc/22/49/56/563224956.db2.gz SDGXKWVYFBFRMP-MLGOLLRUSA-N 1 0 379.913 2.721 20 0 GFADRO O=C(N[C@@H]1C[NH2+]CCC1(F)F)N1CCc2cc(Br)cc(F)c2C1 ZINC000418772177 563225050 /nfs/dbraw/zinc/22/50/50/563225050.db2.gz UNNZRBCDWZXFEE-CYBMUJFWSA-N 1 0 392.219 2.653 20 0 GFADRO COc1cc(Br)c(CN[C@@H](c2nccn2C)C(C)(C)CO)cc1O ZINC000295008409 563225410 /nfs/dbraw/zinc/22/54/10/563225410.db2.gz JFDAAJFKTYBFTG-HNNXBMFYSA-N 1 0 398.301 2.746 20 0 GFADRO O=C(NCCC[C@H]1CCC[NH2+]1)N[C@H](CCO)c1ccccc1Br ZINC000418775400 563225768 /nfs/dbraw/zinc/22/57/68/563225768.db2.gz SHKQPRPPQZZCBB-CZUORRHYSA-N 1 0 384.318 2.704 20 0 GFADRO Cn1cc([C@@H]2[C@@H](CNC(=O)c3nc(Cl)ccc3Cl)CCC[N@@H+]2C)cn1 ZINC000369819465 563225794 /nfs/dbraw/zinc/22/57/94/563225794.db2.gz OCWVKGXUQQITEK-BZNIZROVSA-N 1 0 382.295 2.935 20 0 GFADRO COCCN(Cc1cc(Br)cs1)C(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000418792020 563225951 /nfs/dbraw/zinc/22/59/51/563225951.db2.gz OGQXFLYLGARCKS-WCQYABFASA-N 1 0 390.347 2.796 20 0 GFADRO CN(C(=O)c1cc(Br)nn1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000277781120 563226142 /nfs/dbraw/zinc/22/61/42/563226142.db2.gz ZDTFNGHVGJNCDL-CQSZACIVSA-N 1 0 377.286 2.529 20 0 GFADRO [NH3+]C1(CNC(=O)C(=O)N[C@@H]2C[C@H]2c2ccc(Cl)cc2Cl)CCCCC1 ZINC000418821058 563226538 /nfs/dbraw/zinc/22/65/38/563226538.db2.gz UNGBPLSZNWJRBE-DZGCQCFKSA-N 1 0 384.307 2.743 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000418821201 563226718 /nfs/dbraw/zinc/22/67/18/563226718.db2.gz UUHLBNATBDEREL-SUZRMVIJSA-N 1 0 384.307 2.694 20 0 GFADRO C[C@H](NC(=O)C(=O)NC[C@H]1[NH2+]CCCC1(C)C)c1ccccc1Br ZINC000418829863 563226765 /nfs/dbraw/zinc/22/67/65/563226765.db2.gz DRWGCTVKGZLASD-SWLSCSKDSA-N 1 0 396.329 2.521 20 0 GFADRO O=C(CC[N@H+]1CCC[C@H]([C@@H](O)C(F)(F)F)C1)N1CCc2sccc2C1 ZINC000277791336 563226884 /nfs/dbraw/zinc/22/68/84/563226884.db2.gz OQTAETLOMDJBBT-XJKSGUPXSA-N 1 0 376.444 2.658 20 0 GFADRO O=S1(=O)CC[C@@H]([NH2+]C2CCN(CCSc3ccc(Cl)cc3)CC2)C1 ZINC000369907037 563227971 /nfs/dbraw/zinc/22/79/71/563227971.db2.gz UXSYVUXJSGOMHX-MRXNPFEDSA-N 1 0 388.986 2.673 20 0 GFADRO C[C@@H]1CCC[N@H+](CCCCNC(=O)Cc2cc[nH]c(=O)c2Br)C1 ZINC000277827456 563228164 /nfs/dbraw/zinc/22/81/64/563228164.db2.gz IABLMURMOPPMAP-CYBMUJFWSA-N 1 0 384.318 2.721 20 0 GFADRO C[C@H]1CCC[N@H+](CCCCNC(=O)Cc2cc[nH]c(=O)c2Br)C1 ZINC000277827459 563228196 /nfs/dbraw/zinc/22/81/96/563228196.db2.gz IABLMURMOPPMAP-ZDUSSCGKSA-N 1 0 384.318 2.721 20 0 GFADRO Cn1ncc(Br)c1C(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000295074956 563228352 /nfs/dbraw/zinc/22/83/52/563228352.db2.gz ICKMQFZEXLHTPW-UHFFFAOYSA-N 1 0 391.313 2.919 20 0 GFADRO C[NH2+]CC1CCN(C(=O)C(=O)N[C@@H](C)c2cc(F)c(Cl)cc2Cl)CC1 ZINC000418869779 563228536 /nfs/dbraw/zinc/22/85/36/563228536.db2.gz XJWJJPTUXRDDAF-JTQLQIEISA-N 1 0 390.286 2.768 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)c2cccnc2-n2cc(Br)cn2)C1 ZINC000295111415 563229534 /nfs/dbraw/zinc/22/95/34/563229534.db2.gz LIKGUVLJRGJIGE-UONOGXRCSA-N 1 0 392.301 2.632 20 0 GFADRO O=C(Cc1cc[nH]c(=O)c1Br)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000277879345 563229931 /nfs/dbraw/zinc/22/99/31/563229931.db2.gz CMDDAUDJXFZPTB-AWEZNQCLSA-N 1 0 382.302 2.569 20 0 GFADRO C[C@H]([NH2+]C[C@@H]1CCC[C@]12NC(=O)N(C)C2=O)c1ccc(Br)cc1 ZINC000370024212 563231258 /nfs/dbraw/zinc/23/12/58/563231258.db2.gz BBJWCNCIKKFAGO-BNLOLNQZSA-N 1 0 380.286 2.820 20 0 GFADRO OC[C@@H](C[NH+]1CCCCC1)Nc1nc(C(F)(F)F)c(Br)s1 ZINC000418962096 563231561 /nfs/dbraw/zinc/23/15/61/563231561.db2.gz KSMRDZIHITVYOH-MRVPVSSYSA-N 1 0 388.253 3.183 20 0 GFADRO Cc1nccc(C[N@@H+]2CCC[C@H](C(=O)Nc3ccc(Br)cn3)C2)n1 ZINC000370028143 563231591 /nfs/dbraw/zinc/23/15/91/563231591.db2.gz CYKUAAIAIWCRNY-ZDUSSCGKSA-N 1 0 390.285 2.793 20 0 GFADRO O=C(NCCCc1ccc(Cl)cc1Cl)C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000419043214 563232605 /nfs/dbraw/zinc/23/26/05/563232605.db2.gz QSLAHXDEDZOZPJ-CYBMUJFWSA-N 1 0 386.323 2.548 20 0 GFADRO C[NH2+]C[C@H](C)CNC(=O)C(=O)NCC1(c2c(Cl)cccc2Cl)CCC1 ZINC000419177735 563234706 /nfs/dbraw/zinc/23/47/06/563234706.db2.gz SEIOHMXOYRJLHW-LBPRGKRZSA-N 1 0 386.323 2.503 20 0 GFADRO C[C@H](NC(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1)c1cccc(Cl)c1Cl ZINC000419256196 563235115 /nfs/dbraw/zinc/23/51/15/563235115.db2.gz XHDVEWWBPGPAAP-UHXUCMFUSA-N 1 0 384.307 2.756 20 0 GFADRO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)C(=O)N[C@@H]1CCSc2ccc(Cl)cc21 ZINC000419204254 563235338 /nfs/dbraw/zinc/23/53/38/563235338.db2.gz GPEUTMLKJOEIII-NILFDRSVSA-N 1 0 381.929 2.627 20 0 GFADRO C[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000419293782 563236392 /nfs/dbraw/zinc/23/63/92/563236392.db2.gz ZYBDEJPMBHISJT-KZULUSFZSA-N 1 0 386.323 2.547 20 0 GFADRO COC(=O)CNC(=O)[C@@H]1CCC[N@@H+]1CC/C=C\c1ccc(Br)cc1 ZINC000419344450 563237873 /nfs/dbraw/zinc/23/78/73/563237873.db2.gz HYYZMPGJBAHGHX-ASKPUQFJSA-N 1 0 395.297 2.606 20 0 GFADRO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1Cc1cccc(Br)c1OC(F)F ZINC000419346760 563238716 /nfs/dbraw/zinc/23/87/16/563238716.db2.gz VVTYCJFZOCLGGT-VXGBXAGGSA-N 1 0 393.272 2.937 20 0 GFADRO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NCC(C)(C)c1ccc(Cl)c(Cl)c1 ZINC000419365385 563239459 /nfs/dbraw/zinc/23/94/59/563239459.db2.gz TZWXGWJBLMGFOC-ZDUSSCGKSA-N 1 0 386.323 2.598 20 0 GFADRO O=C(NCC1CC[NH+](C2CC2)CC1)C(=O)Nc1c(F)cccc1Br ZINC000278105018 563241067 /nfs/dbraw/zinc/24/10/67/563241067.db2.gz ARYACECLDBVICJ-UHFFFAOYSA-N 1 0 398.276 2.517 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)NC[C@@H](C)c1c(Cl)cccc1Cl ZINC000419517944 563241088 /nfs/dbraw/zinc/24/10/88/563241088.db2.gz MZDBOGTVWITVNF-XUJVJEKNSA-N 1 0 386.323 2.941 20 0 GFADRO CCCN(C(=O)C(=O)NC[C@H](C)c1c(Cl)cccc1Cl)[C@@H]1CC[NH2+]C1 ZINC000419515105 563241207 /nfs/dbraw/zinc/24/12/07/563241207.db2.gz ISDPGGRHAHUNMO-QWHCGFSZSA-N 1 0 386.323 2.814 20 0 GFADRO C[N@H+](Cc1ccc2c(c1)NC(=O)CO2)[C@H](CO)c1cccc(Br)c1 ZINC000295298000 563241339 /nfs/dbraw/zinc/24/13/39/563241339.db2.gz JSBHFVDOLRWLAM-MRXNPFEDSA-N 1 0 391.265 2.945 20 0 GFADRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N[C@H](C)Cc1c(Cl)cccc1Cl ZINC000419567313 563242606 /nfs/dbraw/zinc/24/26/06/563242606.db2.gz JNTQBBZTYUXWAE-WBMJQRKESA-N 1 0 388.339 2.872 20 0 GFADRO C[C@H](Cc1c(Cl)cccc1Cl)NC(=O)C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000419581768 563242625 /nfs/dbraw/zinc/24/26/25/563242625.db2.gz BUOVIWKRVQGBFR-KZULUSFZSA-N 1 0 386.323 2.547 20 0 GFADRO C[C@H](Cc1c(Cl)cccc1Cl)NC(=O)C(=O)N1CCCC[C@H]1[C@H](C)[NH3+] ZINC000419592966 563242954 /nfs/dbraw/zinc/24/29/54/563242954.db2.gz MOZAKIIPNQCBBN-WQGACYEGSA-N 1 0 386.323 2.769 20 0 GFADRO C[C@H](Oc1ccc(Br)cc1)C(=O)N1CCC[N@H+](CC(C)(C)O)CC1 ZINC000370412199 563243191 /nfs/dbraw/zinc/24/31/91/563243191.db2.gz IARCJMKPMMAENN-AWEZNQCLSA-N 1 0 399.329 2.522 20 0 GFADRO C[C@@H](C(=O)Nc1ccccc1Br)N1CC[NH+]([C@H]2CCSC2)CC1 ZINC000370414384 563243275 /nfs/dbraw/zinc/24/32/75/563243275.db2.gz KDICEBIIKQKZHI-KBPBESRZSA-N 1 0 398.370 2.899 20 0 GFADRO CC(C)[NH+]1CCN([C@H]2CCN(C(=O)c3ccc(F)cc3Br)C2)CC1 ZINC000370424916 563243462 /nfs/dbraw/zinc/24/34/62/563243462.db2.gz OKEMLISBAXWCBV-HNNXBMFYSA-N 1 0 398.320 2.829 20 0 GFADRO CO[C@@H](c1ccccc1F)[C@@H](C)[NH2+]Cc1ccc(S(N)(=O)=O)c(Cl)c1 ZINC000419688319 563245301 /nfs/dbraw/zinc/24/53/01/563245301.db2.gz GKBIGKGIHCVGDT-PIGZYNQJSA-N 1 0 386.876 2.992 20 0 GFADRO O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)[C@H]1C[C@H]1c1ccc(Br)cc1 ZINC000370487520 563245669 /nfs/dbraw/zinc/24/56/69/563245669.db2.gz LNJTVTSUHGNWNK-SQNIBIBYSA-N 1 0 393.325 2.922 20 0 GFADRO C[C@@H](NC(=O)C(=O)NC[C@@H]([NH3+])c1ccccc1)c1ccc(Br)s1 ZINC000419705849 563247663 /nfs/dbraw/zinc/24/76/63/563247663.db2.gz JFPCSMDQBRCFPI-ZYHUDNBSSA-N 1 0 396.310 2.504 20 0 GFADRO Cc1c(CNC(=O)C(=O)N[C@@H]2CCC[C@@H]2C[NH3+])sc2ccc(Cl)cc12 ZINC000419708190 563247692 /nfs/dbraw/zinc/24/76/92/563247692.db2.gz LRWJAJLRRYWPTH-BXUZGUMPSA-N 1 0 379.913 2.723 20 0 GFADRO Cc1c2cc(Cl)ccc2sc1CNC(=O)C(=O)NCC1=CC[NH2+]CC1 ZINC000419718736 563248173 /nfs/dbraw/zinc/24/81/73/563248173.db2.gz WTYDLCQVZWJLGM-UHFFFAOYSA-N 1 0 377.897 2.515 20 0 GFADRO CN(C)S(=O)(=O)c1cc(NCc2nccn2CC(F)(F)F)ccc1Cl ZINC000419720743 563248247 /nfs/dbraw/zinc/24/82/47/563248247.db2.gz ISIHVRUFRJUTKZ-UHFFFAOYSA-N 1 0 396.822 2.961 20 0 GFADRO C[C@@H]([NH2+]Cc1ccc(S(N)(=O)=O)c(Cl)c1)[C@H]1OCCc2sccc21 ZINC000419741330 563248906 /nfs/dbraw/zinc/24/89/06/563248906.db2.gz CEEYUSZDFABQOE-QLJPJBMISA-N 1 0 386.926 2.841 20 0 GFADRO CS(=O)(=O)N1CC[C@@H](C[N@@H+]2CCC[C@@H]2c2cccc(Br)c2)C1 ZINC000370585046 563249535 /nfs/dbraw/zinc/24/95/35/563249535.db2.gz TXIMZIYDKHRRHJ-XJKSGUPXSA-N 1 0 387.343 2.868 20 0 GFADRO CS(=O)(=O)N1CC[C@@H](C[N@@H+]2CCC[C@H]2c2cccc(Br)c2)C1 ZINC000370585041 563249693 /nfs/dbraw/zinc/24/96/93/563249693.db2.gz TXIMZIYDKHRRHJ-BBRMVZONSA-N 1 0 387.343 2.868 20 0 GFADRO CCC[C@H](O)[C@@H](CO)[NH2+]Cc1cc(Br)c(OC(F)F)c(OC)c1 ZINC000419833813 563251700 /nfs/dbraw/zinc/25/17/00/563251700.db2.gz WJJARDDCCOZQCB-NEPJUHHUSA-N 1 0 398.244 2.671 20 0 GFADRO O=C(Cc1csc2nccn12)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000370651398 563251843 /nfs/dbraw/zinc/25/18/43/563251843.db2.gz JUDCQFVMNHVQCW-UHFFFAOYSA-N 1 0 378.567 2.806 20 0 GFADRO COc1ccc(Br)c(CN2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)c1 ZINC000370710610 563253094 /nfs/dbraw/zinc/25/30/94/563253094.db2.gz UKWTUKHLHZWHPF-BEFAXECRSA-N 1 0 396.373 2.916 20 0 GFADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)Nc1nc(C(F)(F)F)cs1 ZINC000278425762 563254884 /nfs/dbraw/zinc/25/48/84/563254884.db2.gz YFHJGQNABSQRFQ-JTQLQIEISA-N 1 0 378.420 2.879 20 0 GFADRO O=C(Cc1ccc(F)c(Br)c1)NC[C@H]1CCC[C@@H]1[NH+]1CCOCC1 ZINC000370764212 563254955 /nfs/dbraw/zinc/25/49/55/563254955.db2.gz XBALQGNTZGHBNO-PBHICJAKSA-N 1 0 399.304 2.748 20 0 GFADRO C[C@H](Cc1ccc(Br)cc1)C(=O)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000295600640 563255891 /nfs/dbraw/zinc/25/58/91/563255891.db2.gz XBYOCNDCNSVBRX-RHSMWYFYSA-N 1 0 383.330 2.591 20 0 GFADRO COc1cc([C@@H](C)[NH2+]CCOCC(F)(F)C(F)F)ccc1S(C)(=O)=O ZINC000278456755 563256499 /nfs/dbraw/zinc/25/64/99/563256499.db2.gz MBLGYXWMFNRRHX-SNVBAGLBSA-N 1 0 387.395 2.666 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2C(=O)c1ccc(Br)cc1F ZINC000370823896 563256618 /nfs/dbraw/zinc/25/66/18/563256618.db2.gz MLFZNUCWJFNKMT-DAXOMENPSA-N 1 0 385.277 2.912 20 0 GFADRO C[C@H]1C[N@H+](CCCNC(=O)C(=O)Nc2ccc(Cl)cc2Cl)CCCO1 ZINC000278447773 563256676 /nfs/dbraw/zinc/25/66/76/563256676.db2.gz UEBOSATVJAHPTE-LBPRGKRZSA-N 1 0 388.295 2.549 20 0 GFADRO CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000420059849 563257307 /nfs/dbraw/zinc/25/73/07/563257307.db2.gz GYJZCMQNDVMYAY-MRXNPFEDSA-N 1 0 386.323 2.976 20 0 GFADRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000420110047 563258241 /nfs/dbraw/zinc/25/82/41/563258241.db2.gz ZCVXUEOHHABFDQ-RLCCDNCMSA-N 1 0 384.307 2.771 20 0 GFADRO O=S(=O)(/C=C/c1ccc(Br)cc1)N(C1CC1)C1CC[NH2+]CC1 ZINC000370864677 563258258 /nfs/dbraw/zinc/25/82/58/563258258.db2.gz FTNCKCQKAKESQC-FMIVXFBMSA-N 1 0 385.327 2.966 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)CC[NH2+]1 ZINC000420140900 563258772 /nfs/dbraw/zinc/25/87/72/563258772.db2.gz ZAKFHCKPRDSCKB-FFSVYQOJSA-N 1 0 384.307 2.914 20 0 GFADRO Cn1cc(N2CC[C@H]([NH2+]CC3=Cc4cc(Br)ccc4OC3)C2)cn1 ZINC000370905695 563259039 /nfs/dbraw/zinc/25/90/39/563259039.db2.gz QXACHHMOGHQKFV-INIZCTEOSA-N 1 0 389.297 2.827 20 0 GFADRO C[C@@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)N1CCCO[C@@H](C[NH3+])C1 ZINC000420381469 563262619 /nfs/dbraw/zinc/26/26/19/563262619.db2.gz CTWFWJSOJLYARA-JQWIXIFHSA-N 1 0 379.810 2.735 20 0 GFADRO CN(Cc1ccccc1Br)C(=O)CN1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420411279 563262695 /nfs/dbraw/zinc/26/26/95/563262695.db2.gz YPJUDGUJVIQNCM-CRAIPNDOSA-N 1 0 394.357 2.872 20 0 GFADRO Cn1ncc(Br)c1C(=O)Nc1ccc2ccn(CC[NH+](C)C)c2c1 ZINC000295809597 563263363 /nfs/dbraw/zinc/26/33/63/563263363.db2.gz LABCWGJZBILCSV-UHFFFAOYSA-N 1 0 390.285 2.951 20 0 GFADRO Cc1ccc(Br)c(S(=O)(=O)N2CCCC[C@H]2[C@H]2CC[NH2+]C2)c1 ZINC000420450945 563263820 /nfs/dbraw/zinc/26/38/20/563263820.db2.gz BCBLUVSYFCKJDL-ZFWWWQNUSA-N 1 0 387.343 2.910 20 0 GFADRO C[C@H]1CCN(Cc2nc(Cc3cccc(Br)c3)no2)C[C@@H]1C[NH3+] ZINC000420415698 563263855 /nfs/dbraw/zinc/26/38/55/563263855.db2.gz VCGIWYVRRNQLJX-JSGCOSHPSA-N 1 0 379.302 2.840 20 0 GFADRO CCCOc1c(Br)cc(C[NH2+]C[C@]2(O)CCO[C@@H]2C)cc1OC ZINC000278632595 563264337 /nfs/dbraw/zinc/26/43/37/563264337.db2.gz KTGFCGGOYCTOHY-SJKOYZFVSA-N 1 0 388.302 2.876 20 0 GFADRO C[C@@H]1CN(S(=O)(=O)c2cc(Br)sc2Cl)C[C@@]1(C)C[NH3+] ZINC000420466971 563264435 /nfs/dbraw/zinc/26/44/35/563264435.db2.gz XTWCGGQMPJEBSU-RDDDGLTNSA-N 1 0 387.752 2.769 20 0 GFADRO COC(=O)c1sc(S(=O)(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)c(C)c1Cl ZINC000278668793 563265704 /nfs/dbraw/zinc/26/57/04/563265704.db2.gz FRUCLMQUNRUIHS-KOLCDFICSA-N 1 0 394.946 2.600 20 0 GFADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C[C@@H](O)c1cccc(Br)c1 ZINC000278683107 563266154 /nfs/dbraw/zinc/26/61/54/563266154.db2.gz OXSBLIUVLCGREX-RDTXWAMCSA-N 1 0 383.330 2.668 20 0 GFADRO CCn1cc([C@H](C)[NH2+]CC(=O)Nc2ccccc2I)cn1 ZINC000295896843 563267080 /nfs/dbraw/zinc/26/70/80/563267080.db2.gz CXSQSXYSMGYTDI-NSHDSACASA-N 1 0 398.248 2.797 20 0 GFADRO O=C(c1cc(Br)c2c(c1)OCCO2)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000371234053 563269183 /nfs/dbraw/zinc/26/91/83/563269183.db2.gz BOJGLBKKPZZXNV-SWLSCSKDSA-N 1 0 395.297 2.825 20 0 GFADRO COCCO[C@@H]1C[C@@H](CO)C[N@H+](C[C@H](C)c2cccc(Br)c2)C1 ZINC000278763264 563269593 /nfs/dbraw/zinc/26/95/93/563269593.db2.gz UAWHGLOJDZFWFE-HDMKZQKVSA-N 1 0 386.330 2.898 20 0 GFADRO CC[C@@H](NC(=O)NCC[NH+](C)C)c1noc(-c2cccc(Br)c2)n1 ZINC000371259535 563269775 /nfs/dbraw/zinc/26/97/75/563269775.db2.gz UHDCLRYEQWPZLE-CYBMUJFWSA-N 1 0 396.289 2.811 20 0 GFADRO COC(=O)c1sc(S(=O)(=O)N2CCC[C@@H]([NH+](C)C)CC2)c(C)c1Cl ZINC000278806388 563271650 /nfs/dbraw/zinc/27/16/50/563271650.db2.gz NHCQGPPLXXKTOG-LLVKDONJSA-N 1 0 394.946 2.601 20 0 GFADRO CC[C@@H](C)[NH+]1CCN(CC(=O)N(C)Cc2cc(Br)cs2)CC1 ZINC000296019281 563271658 /nfs/dbraw/zinc/27/16/58/563271658.db2.gz LRENUMSSKAOKJN-CYBMUJFWSA-N 1 0 388.375 2.885 20 0 GFADRO CN(C[C@@H]1CCC[N@H+](C)C1)S(=O)(=O)c1cc(Cl)ccc1OC(F)F ZINC000420682620 563273899 /nfs/dbraw/zinc/27/38/99/563273899.db2.gz VEXAWKCSOWGEGN-LLVKDONJSA-N 1 0 382.860 2.904 20 0 GFADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)c1c(F)cccc1Br ZINC000278959219 563277631 /nfs/dbraw/zinc/27/76/31/563277631.db2.gz ZWUMQYMFJGLGMF-GFCCVEGCSA-N 1 0 385.277 2.914 20 0 GFADRO O=C(NCC1CC[NH+](C2CC2)CC1)c1ccccc1I ZINC000278975380 563278219 /nfs/dbraw/zinc/27/82/19/563278219.db2.gz CGIRPUGFYVXMAU-UHFFFAOYSA-N 1 0 384.261 2.895 20 0 GFADRO C[C@H]1CN(C(=O)[C@H]2SCCc3sccc32)CCN1C1CC[NH+](C)CC1 ZINC000371459010 563278337 /nfs/dbraw/zinc/27/83/37/563278337.db2.gz MXUJGPNDJQBGDJ-KSSFIOAISA-N 1 0 379.595 2.705 20 0 GFADRO CC[NH+]1CCN([C@H]2CCN(C(=O)c3ccc(Br)c(C)c3F)C2)CC1 ZINC000278995495 563279399 /nfs/dbraw/zinc/27/93/99/563279399.db2.gz NAOXGFNPJXARTA-AWEZNQCLSA-N 1 0 398.320 2.749 20 0 GFADRO CN(C[C@@H]1CCC[N@@H+]1C)S(=O)(=O)c1cccc(Cl)c1Br ZINC000420745607 563282268 /nfs/dbraw/zinc/28/22/68/563282268.db2.gz YXTFOSCVUIMXNX-JTQLQIEISA-N 1 0 381.723 2.817 20 0 GFADRO C[C@@H](NC(=O)C(=O)NC[C@@H](c1cccs1)[NH+](C)C)c1ccc(Cl)cc1 ZINC000420762810 563284980 /nfs/dbraw/zinc/28/49/80/563284980.db2.gz NAROGBAOUNONBM-DOMZBBRYSA-N 1 0 379.913 2.998 20 0 GFADRO O=C(CCc1cc(F)ccc1Br)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000371726906 563285736 /nfs/dbraw/zinc/28/57/36/563285736.db2.gz ITJYSDKEPVCVGR-CABCVRRESA-N 1 0 385.277 2.500 20 0 GFADRO C[NH+]1CCC(C(=O)Nc2cc(Br)cc(C(=O)N3CCCC3)c2)CC1 ZINC000279172388 563286313 /nfs/dbraw/zinc/28/63/13/563286313.db2.gz JIMITBMSKWZBFS-UHFFFAOYSA-N 1 0 394.313 2.965 20 0 GFADRO C[C@@H](NC(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+]1C)c1cc(F)c(Cl)cc1Cl ZINC000420832495 563288053 /nfs/dbraw/zinc/28/80/53/563288053.db2.gz BKGPIBIRLZYVEA-MNOVXSKESA-N 1 0 390.286 2.862 20 0 GFADRO C[C@@H]1C[C@@H](CO)C[N@H+](C[C@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000420947066 563291255 /nfs/dbraw/zinc/29/12/55/563291255.db2.gz SUVIZGJCGYRXCF-BZPMIXESSA-N 1 0 392.721 2.793 20 0 GFADRO O=C(Cc1cccc(I)c1)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000371932987 563291843 /nfs/dbraw/zinc/29/18/43/563291843.db2.gz FMGUYDLUMILTOJ-LSDHHAIUSA-N 1 0 384.261 2.577 20 0 GFADRO O=C1CCC(=O)N1CC[N@H+]1CCCC[C@@H]1Cc1cccc(Br)c1 ZINC000421035879 563294108 /nfs/dbraw/zinc/29/41/08/563294108.db2.gz ILNUGWOEYMORDX-MRXNPFEDSA-N 1 0 379.298 2.995 20 0 GFADRO CC[C@@H]([NH2+][C@@H]1CCN(CCN2CCOCC2)C1)c1cccc(Br)c1 ZINC000372047471 563294156 /nfs/dbraw/zinc/29/41/56/563294156.db2.gz ROKCZGKHEOIDSM-RTBURBONSA-N 1 0 396.373 2.896 20 0 GFADRO COC1([C@@H](C)[NH2+]CCC(=O)Nc2ccccc2Br)CCOCC1 ZINC000421030924 563294581 /nfs/dbraw/zinc/29/45/81/563294581.db2.gz JYVMPMPNKOVNPJ-CYBMUJFWSA-N 1 0 385.302 2.951 20 0 GFADRO O=C(NCCCCC[NH+]1CCCC1)NCCCn1cc(Br)cn1 ZINC000296656526 563295506 /nfs/dbraw/zinc/29/55/06/563295506.db2.gz PUCHAHKRSPSVEM-UHFFFAOYSA-N 1 0 386.338 2.601 20 0 GFADRO C[N@@H+]1CC[C@@H](CNC(=O)Nc2cc(F)c(F)cc2I)C1 ZINC000296665582 563296218 /nfs/dbraw/zinc/29/62/18/563296218.db2.gz AETXMVKPPSNRNC-QMMMGPOBSA-N 1 0 395.191 2.643 20 0 GFADRO C[NH+](C)[C@H](CNc1cc(S(=O)(=O)N2CCCC2)ccn1)c1cccs1 ZINC000279473436 563297561 /nfs/dbraw/zinc/29/75/61/563297561.db2.gz NENHBDPCISXUAN-OAHLLOKOSA-N 1 0 380.539 2.642 20 0 GFADRO C[NH+]1CCC(NC(=O)N[C@H](CO)c2ccc(Cl)cc2C(F)(F)F)CC1 ZINC000279530394 563300133 /nfs/dbraw/zinc/30/01/33/563300133.db2.gz BWJDCPRRDGNTOH-CQSZACIVSA-N 1 0 379.810 2.786 20 0 GFADRO C[C@@H]1CN(C(=O)NCCc2ccc(Cl)s2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000372332029 563302685 /nfs/dbraw/zinc/30/26/85/563302685.db2.gz KIZXYODGFWDAQL-GDBMZVCRSA-N 1 0 384.977 2.611 20 0 GFADRO COc1ccc(Br)cc1CC(=O)N1CCCC2(CC[NH2+]CC2)C1 ZINC000372430628 563306246 /nfs/dbraw/zinc/30/62/46/563306246.db2.gz GJQYZPRVXJBVME-UHFFFAOYSA-N 1 0 381.314 2.992 20 0 GFADRO CC[C@@H](C)[NH+]1CCN(C(=O)c2ccc(Br)cc2-n2cncn2)CC1 ZINC000296894705 563306764 /nfs/dbraw/zinc/30/67/64/563306764.db2.gz JXDXKFQEVVRJIB-CYBMUJFWSA-N 1 0 392.301 2.586 20 0 GFADRO CCN(C[C@H](O)C(F)(F)F)C(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1cccs1 ZINC000372464545 563307649 /nfs/dbraw/zinc/30/76/49/563307649.db2.gz MZFGEVAYHJIUDZ-FPMFFAJLSA-N 1 0 379.448 2.696 20 0 GFADRO Cc1nc(C(=O)N2[C@@H]3CC[C@H]2C[C@H]([NH3+])C3)nn1-c1c(Cl)cccc1Cl ZINC000372492641 563308453 /nfs/dbraw/zinc/30/84/53/563308453.db2.gz SGIXXUIWPCJJLM-CNDDSTCGSA-N 1 0 380.279 2.977 20 0 GFADRO CCCN1C[C@H](C[NH2+]Cc2cnn(-c3ccc(Br)cc3)c2)CC1=O ZINC000421355028 563308880 /nfs/dbraw/zinc/30/88/80/563308880.db2.gz SYTIOBFANXOEOW-AWEZNQCLSA-N 1 0 391.313 2.983 20 0 GFADRO CCCOc1c(Br)cc(C[N@H+](C[C@@H](O)CO)C(C)C)cc1OC ZINC000421400914 563309495 /nfs/dbraw/zinc/30/94/95/563309495.db2.gz BZMZSNBLNDYLLV-CQSZACIVSA-N 1 0 390.318 2.810 20 0 GFADRO CN(CCc1ccc(Br)cc1)C(=O)[C@]1([NH3+])[C@@H]2CCCO[C@H]2C1(C)C ZINC000372565440 563311272 /nfs/dbraw/zinc/31/12/72/563311272.db2.gz BHEWNZKMZWMGGG-GPMSIDNRSA-N 1 0 395.341 2.983 20 0 GFADRO Cn1cc(CC[NH2+]Cc2c(F)ccc(I)c2F)cn1 ZINC000279859381 563313129 /nfs/dbraw/zinc/31/31/29/563313129.db2.gz IWNGSKVOELMALT-UHFFFAOYSA-N 1 0 377.176 2.635 20 0 GFADRO C[C@@H]1C[N@H+](CCCNC(=O)N[C@@H](c2nccs2)C(F)(F)F)CCCO1 ZINC000297072270 563314828 /nfs/dbraw/zinc/31/48/28/563314828.db2.gz UMIHJVQVHIYKLB-NEPJUHHUSA-N 1 0 380.436 2.547 20 0 GFADRO C[C@@H](CO)[N@@H+]1CCCN(C(=O)Cc2cc(Cl)ccc2Br)CC1 ZINC000372724438 563315462 /nfs/dbraw/zinc/31/54/62/563315462.db2.gz DHLIHDZWLCRUSJ-LBPRGKRZSA-N 1 0 389.721 2.560 20 0 GFADRO CS(=O)(=O)c1ccc(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)s1 ZINC000421740236 563320582 /nfs/dbraw/zinc/32/05/82/563320582.db2.gz IDRZLYPAQFJVOQ-UHFFFAOYSA-N 1 0 378.519 2.677 20 0 GFADRO CC[C@@H](COCC(F)(F)F)[NH2+][C@H]1CCCc2ccc(S(N)(=O)=O)cc21 ZINC000297232791 563321177 /nfs/dbraw/zinc/32/11/77/563321177.db2.gz IADUTJYEDNAVNR-WFASDCNBSA-N 1 0 380.432 2.659 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)c2ccc(S(C)(=O)=O)s2)C1 ZINC000421767661 563321389 /nfs/dbraw/zinc/32/13/89/563321389.db2.gz BKJYLSSGVNOAHH-CABCVRRESA-N 1 0 384.567 2.878 20 0 GFADRO Cn1cc(Br)cc1C(=O)N1CC[C@@H](c2ccc(F)cc2)[C@@H]([NH3+])C1 ZINC000297272764 563321810 /nfs/dbraw/zinc/32/18/10/563321810.db2.gz SQRLPLMKYSVWEB-GJZGRUSLSA-N 1 0 380.261 2.884 20 0 GFADRO CN(C[C@H](O)c1ccccc1Br)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000297277079 563322266 /nfs/dbraw/zinc/32/22/66/563322266.db2.gz GJHZQYHKIXUWSW-ULQDDVLXSA-N 1 0 396.329 2.751 20 0 GFADRO C[C@H]1C[C@H](N(C)C(=O)NCCCCn2cc(Br)cn2)CC[N@@H+]1C ZINC000280206418 563327117 /nfs/dbraw/zinc/32/71/17/563327117.db2.gz FJAVXIBKLQLETR-DZGCQCFKSA-N 1 0 386.338 2.550 20 0 GFADRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)c1c(O)cnc2c(Br)cccc21 ZINC000422035332 563329301 /nfs/dbraw/zinc/32/93/01/563329301.db2.gz LBJPVVVHHNWSQR-LLVKDONJSA-N 1 0 378.270 2.869 20 0 GFADRO CN1CCC2(CC[NH+](Cc3cc4c(cc3Br)OCO4)CC2)C1=O ZINC000373148651 563329687 /nfs/dbraw/zinc/32/96/87/563329687.db2.gz XXURRMRNDTYACH-UHFFFAOYSA-N 1 0 381.270 2.622 20 0 GFADRO COc1ccc2c(c1)[C@@H]([NH3+])CCN2S(=O)(=O)c1ccc(OC)c(Cl)c1 ZINC000373177223 563331452 /nfs/dbraw/zinc/33/14/52/563331452.db2.gz DEUSTZJSFOQZOA-HNNXBMFYSA-N 1 0 382.869 2.956 20 0 GFADRO C[NH+](C)[C@]1(CNC(=O)N2CCc3c2cccc3Br)CCSC1 ZINC000422190895 563333077 /nfs/dbraw/zinc/33/30/77/563333077.db2.gz UJENMJSUQIRWFZ-INIZCTEOSA-N 1 0 384.343 2.959 20 0 GFADRO OC[C@@H](C[NH2+]Cc1nc(-c2ccc(Br)cc2)c[nH]1)[C@@H]1CCOC1 ZINC000280377193 563334228 /nfs/dbraw/zinc/33/42/28/563334228.db2.gz VHLHHDJZRMLCFG-ZIAGYGMSSA-N 1 0 380.286 2.574 20 0 GFADRO O=C(C[NH2+]Cc1cc(Br)cc(C(F)(F)F)c1)NCC(F)F ZINC000280397273 563335629 /nfs/dbraw/zinc/33/56/29/563335629.db2.gz XLHRTAVMQNQJGH-UHFFFAOYSA-N 1 0 375.135 2.939 20 0 GFADRO O=C(N[C@@H]1CCN(c2ccccn2)C1)c1cnc(Cl)c(Br)c1 ZINC000297799784 563336264 /nfs/dbraw/zinc/33/62/64/563336264.db2.gz NGTNHXQTGNLQJB-LLVKDONJSA-N 1 0 381.661 2.901 20 0 GFADRO Cc1cc(F)c(Br)cc1NC(=O)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000297856368 563338301 /nfs/dbraw/zinc/33/83/01/563338301.db2.gz PATCQOXZQFRZQG-GFCCVEGCSA-N 1 0 388.281 2.865 20 0 GFADRO Cc1nccn1CC(=O)NCC1(c2ccc(Br)cc2)CCOCC1 ZINC000297859505 563338372 /nfs/dbraw/zinc/33/83/72/563338372.db2.gz PSYZSVATPALDGX-UHFFFAOYSA-N 1 0 392.297 2.819 20 0 GFADRO CN(Cc1c(Cl)cccc1Cl)C(=O)C(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000422488926 563340803 /nfs/dbraw/zinc/34/08/03/563340803.db2.gz OKJJULPZHCTYQF-CYBMUJFWSA-N 1 0 386.323 2.800 20 0 GFADRO O=S(=O)(c1ccc(Cl)cc1Br)N1CCC2(CC[NH2+]2)CC1 ZINC000422555639 563342658 /nfs/dbraw/zinc/34/26/58/563342658.db2.gz QPBLIUOBZKHGEY-UHFFFAOYSA-N 1 0 379.707 2.619 20 0 GFADRO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)[C@@H]2CSCCS2)cc1 ZINC000298041167 563342850 /nfs/dbraw/zinc/34/28/50/563342850.db2.gz JHWSPLIBQQXUHR-INIZCTEOSA-N 1 0 381.567 2.545 20 0 GFADRO CC(C)(CC[NH3+])NS(=O)(=O)c1cc(C(F)(F)F)ccc1Br ZINC000422550909 563342908 /nfs/dbraw/zinc/34/29/08/563342908.db2.gz LVRHMUMGZVQYQX-UHFFFAOYSA-N 1 0 389.237 2.874 20 0 GFADRO CCN(C(=O)C[NH2+][C@H](c1ccc(Cl)cc1)C(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000298102522 563344969 /nfs/dbraw/zinc/34/49/69/563344969.db2.gz RMDPFYAVAJCERM-WMZOPIPTSA-N 1 0 386.945 2.662 20 0 GFADRO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)NC1CCC([NH+](C)C)CC1 ZINC000422639489 563345409 /nfs/dbraw/zinc/34/54/09/563345409.db2.gz SZJWAUXWUSRXDM-UHFFFAOYSA-N 1 0 386.323 2.941 20 0 GFADRO C[C@@H]1OCC[C@@H]1S(=O)(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccc(Cl)c1 ZINC000373668847 563345573 /nfs/dbraw/zinc/34/55/73/563345573.db2.gz WEPQSZOZHSEYKW-QXRTWZOPSA-N 1 0 386.945 2.820 20 0 GFADRO Cc1cc(Br)cn2cc(CCNC(=O)N(C)CC(C)(C)CO)nc12 ZINC000298167777 563346207 /nfs/dbraw/zinc/34/62/07/563346207.db2.gz CCUMKOHICWERNT-UHFFFAOYSA-N 1 0 397.317 2.608 20 0 GFADRO CCOc1cc(C[NH2+]CCNC(=O)c2ccco2)cc(Br)c1O ZINC000298175744 563346846 /nfs/dbraw/zinc/34/68/46/563346846.db2.gz VETFBMJLWWZGIW-UHFFFAOYSA-N 1 0 383.242 2.666 20 0 GFADRO C[NH+](C)C1(CNS(=O)(=O)c2c(Cl)cc(F)cc2Cl)CCOCC1 ZINC000280664693 563348589 /nfs/dbraw/zinc/34/85/89/563348589.db2.gz XSZSSXGVXHXEIF-UHFFFAOYSA-N 1 0 385.288 2.522 20 0 GFADRO C[C@@H]1CC[NH2+]C[C@@H]1NCC(C)(C)S(=O)(=O)c1ccc(Br)cc1 ZINC000422772514 563348841 /nfs/dbraw/zinc/34/88/41/563348841.db2.gz ZFMCHGFTZNCCGS-DOMZBBRYSA-N 1 0 389.359 2.589 20 0 GFADRO CC(C)[NH+]1CCN(C(=O)Nc2ccnn2-c2ccc(Br)cn2)CC1 ZINC000280695822 563350436 /nfs/dbraw/zinc/35/04/36/563350436.db2.gz RREJVRKCUMGEGZ-UHFFFAOYSA-N 1 0 393.289 2.588 20 0 GFADRO Cn1nc(Br)cc1C(=O)NC[C@@H]1CC[N@H+](C)[C@@H]1c1cccs1 ZINC000373794905 563351182 /nfs/dbraw/zinc/35/11/82/563351182.db2.gz KAKYCCPOPNRXNL-HZMBPMFUSA-N 1 0 383.315 2.667 20 0 GFADRO C[C@@H]1C[N@H+](CCC(=O)Nc2cccc(Br)c2)C[C@@]2(CCOC2)O1 ZINC000373797944 563351378 /nfs/dbraw/zinc/35/13/78/563351378.db2.gz PZDKOULRCFLEBU-CXAGYDPISA-N 1 0 383.286 2.658 20 0 GFADRO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NCCNC(=O)c1cccc(Br)c1 ZINC000422958208 563351440 /nfs/dbraw/zinc/35/14/40/563351440.db2.gz XBUYMMWGHJXWGC-KBXCAEBGSA-N 1 0 390.325 2.727 20 0 GFADRO Cc1nc2c(s1)CCC[C@@H]2C[N@@H+](C)Cc1nn2c(nc(C)cc2=O)s1 ZINC000373802903 563351854 /nfs/dbraw/zinc/35/18/54/563351854.db2.gz BHLBWJFABAXTNV-GFCCVEGCSA-N 1 0 375.523 2.776 20 0 GFADRO C[C@H](C[C@@H]1COCCN1)[NH2+]Cc1cc(Br)ccc1OC(F)F ZINC000422950198 563351900 /nfs/dbraw/zinc/35/19/00/563351900.db2.gz XIBJVMZGILGLMV-ZWNOBZJWSA-N 1 0 379.245 2.907 20 0 GFADRO C[C@H]1CN(Cc2nnc(-c3ccc(Br)o3)o2)C[C@@]2(CCCOC2)O1 ZINC000373813336 563351955 /nfs/dbraw/zinc/35/19/55/563351955.db2.gz SWLRBDLCDJFAKS-MEDUHNTESA-N 1 0 398.257 2.862 20 0 GFADRO C[C@@H]1CC[NH2+][C@@H](C(=O)N2CCN(C(=O)c3cccc(Cl)c3Cl)CC2)C1 ZINC000422996052 563352275 /nfs/dbraw/zinc/35/22/75/563352275.db2.gz SCECJABZNHUGAM-IUODEOHRSA-N 1 0 384.307 2.666 20 0 GFADRO CC(C)[C@H](C(=O)N1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1)[C@H](C)[NH3+] ZINC000422980933 563352307 /nfs/dbraw/zinc/35/23/07/563352307.db2.gz MWSMVTLTXKOIMZ-LRDDRELGSA-N 1 0 386.323 2.897 20 0 GFADRO Cc1nc(SC(F)(F)F)sc1CC(=O)NCC1([NH+](C)C)CCOCC1 ZINC000280766457 563353280 /nfs/dbraw/zinc/35/32/80/563353280.db2.gz LZUWJSUBQVEZOK-UHFFFAOYSA-N 1 0 397.488 2.833 20 0 GFADRO Brc1ccc2[nH]cc(CC[NH2+][C@H](C3CC3)[C@H]3CNCCO3)c2c1 ZINC000423034260 563353479 /nfs/dbraw/zinc/35/34/79/563353479.db2.gz PQSCFEDZNQDMBD-QZTJIDSGSA-N 1 0 378.314 2.830 20 0 GFADRO CNC(=O)OC[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1ccccc1Br ZINC000298407044 563353976 /nfs/dbraw/zinc/35/39/76/563353976.db2.gz FJDDBRIFFUOMFO-ZDUSSCGKSA-N 1 0 398.301 2.988 20 0 GFADRO C[C@@H]([NH3+])[C@H](Cc1ccccc1)NCC(=O)Nc1cccc(Br)c1 ZINC000423051131 563353986 /nfs/dbraw/zinc/35/39/86/563353986.db2.gz ZWMQLYUQOFYUTF-DYVFJYSZSA-N 1 0 376.298 2.936 20 0 GFADRO CC(C)CCOCC[NH2+][C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000280787455 563354017 /nfs/dbraw/zinc/35/40/17/563354017.db2.gz SVDQXIVRGPXDKK-LBPRGKRZSA-N 1 0 393.347 2.810 20 0 GFADRO COC(=O)c1c(Br)ccc(NC(=O)NC[C@@H]2CC[N@H+](C)C2)c1C ZINC000298409910 563354667 /nfs/dbraw/zinc/35/46/67/563354667.db2.gz KPBKSFFMRCETML-NSHDSACASA-N 1 0 384.274 2.617 20 0 GFADRO CC[NH+]1CCN(CCCNC(=O)/C=C/c2ccc(Br)s2)CC1 ZINC000298469102 563356932 /nfs/dbraw/zinc/35/69/32/563356932.db2.gz PCSJDAGSMSQSAG-FNORWQNLSA-N 1 0 386.359 2.668 20 0 GFADRO COc1ccc(CNC(=O)c2cnn([C@@H]3CCC[NH2+]C3)c2)cc1Br ZINC000423143778 563357243 /nfs/dbraw/zinc/35/72/43/563357243.db2.gz XWEWYXPBTNMVIB-CQSZACIVSA-N 1 0 393.285 2.509 20 0 GFADRO CC[C@H](CNC(=O)COC1CC[NH2+]CC1)Cc1cccc(Br)c1 ZINC000423216643 563358539 /nfs/dbraw/zinc/35/85/39/563358539.db2.gz SBILBKTUHMTYJJ-AWEZNQCLSA-N 1 0 383.330 2.903 20 0 GFADRO CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)N1CCC[C@H](C[NH2+]C)C1 ZINC000423174753 563358621 /nfs/dbraw/zinc/35/86/21/563358621.db2.gz CSEVHPIYEHTAAY-CQSZACIVSA-N 1 0 386.323 2.800 20 0 GFADRO CC(C)[C@H](C(=O)NCCC(=O)N(C)Cc1ccccc1Br)[C@H](C)[NH3+] ZINC000423175201 563358748 /nfs/dbraw/zinc/35/87/48/563358748.db2.gz DJHAJLZFCWXIKG-GUYCJALGSA-N 1 0 398.345 2.533 20 0 GFADRO CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000423175523 563358796 /nfs/dbraw/zinc/35/87/96/563358796.db2.gz DWVNWMKKYCMXFP-WOSRLPQWSA-N 1 0 384.307 2.538 20 0 GFADRO Cc1nccn1CCCN1CCC(O)(c2scnc2Br)CC1 ZINC000374035094 563359131 /nfs/dbraw/zinc/35/91/31/563359131.db2.gz IZDXXYUITXBAAF-UHFFFAOYSA-N 1 0 385.331 2.784 20 0 GFADRO CCOC(C)(C)C[NH2+][C@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000280891117 563359451 /nfs/dbraw/zinc/35/94/51/563359451.db2.gz DKRDVLSQLIHTDZ-SNVBAGLBSA-N 1 0 379.320 2.562 20 0 GFADRO O=C(CC[N@@H+]1CCC[C@H](c2nnc[nH]2)C1)Nc1cccc(Br)c1 ZINC000374052347 563359997 /nfs/dbraw/zinc/35/99/97/563359997.db2.gz CTOLNEMEHDGZNR-LBPRGKRZSA-N 1 0 378.274 2.775 20 0 GFADRO O=C(CC[N@@H+]1CCC[C@H](c2nnc[nH]2)C1)Nc1ccc(Br)cc1F ZINC000374052265 563360023 /nfs/dbraw/zinc/36/00/23/563360023.db2.gz UVHZOCINWLRVIZ-NSHDSACASA-N 1 0 396.264 2.915 20 0 GFADRO C[NH+]1CCC2(CCCN([C@@H](C(N)=O)c3ccc(Br)cc3F)C2)CC1 ZINC000374076159 563360555 /nfs/dbraw/zinc/36/05/55/563360555.db2.gz ZTKLRAPHSORWCJ-MRXNPFEDSA-N 1 0 398.320 2.922 20 0 GFADRO C[NH+]1CCC2(CCCN(C(=O)c3cc(I)c[nH]3)C2)CC1 ZINC000374100185 563361904 /nfs/dbraw/zinc/36/19/04/563361904.db2.gz ROHPQZPZVDTYSL-UHFFFAOYSA-N 1 0 387.265 2.567 20 0 GFADRO C[C@H](c1ccccc1Br)N(C)C(=O)C(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000423558711 563362187 /nfs/dbraw/zinc/36/21/87/563362187.db2.gz JNKHZGRROVJRHU-QWHCGFSZSA-N 1 0 396.329 2.554 20 0 GFADRO [NH3+]C[C@H](NC(=O)c1c(F)cccc1I)C1CCCC1 ZINC000423940518 563365008 /nfs/dbraw/zinc/36/50/08/563365008.db2.gz NPVBZDXOSXTJFO-LBPRGKRZSA-N 1 0 376.213 2.678 20 0 GFADRO Cc1cc(Br)ccc1CC(=O)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000423943969 563365018 /nfs/dbraw/zinc/36/50/18/563365018.db2.gz DPFADJFHOMEHTF-UHFFFAOYSA-N 1 0 394.357 2.633 20 0 GFADRO CN(C(=O)c1ccc(Cl)c(I)c1)[C@H](C[NH3+])C1CC1 ZINC000423953721 563365746 /nfs/dbraw/zinc/36/57/46/563365746.db2.gz QYMDGBUHLLWVFA-GFCCVEGCSA-N 1 0 378.641 2.754 20 0 GFADRO COc1ccc(Br)cc1C(=O)CCC(=O)N(C)[C@H](C[NH3+])C1CC1 ZINC000423957419 563365799 /nfs/dbraw/zinc/36/57/99/563365799.db2.gz VNMCBDMVZSYJIF-CQSZACIVSA-N 1 0 383.286 2.616 20 0 GFADRO COc1ccc(Br)cc1C(=O)CCC(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000423984729 563366109 /nfs/dbraw/zinc/36/61/09/563366109.db2.gz CBBWZYAWQKKCJK-KZULUSFZSA-N 1 0 397.313 2.864 20 0 GFADRO CN(Cc1c(F)cccc1Cl)S(=O)(=O)N1CCCC12CC[NH+](C)CC2 ZINC000374298372 563367465 /nfs/dbraw/zinc/36/74/65/563367465.db2.gz WHUQYKUJJJLPEZ-UHFFFAOYSA-N 1 0 389.924 2.716 20 0 GFADRO Cc1cc(C)c(Br)c(C(=O)N2CCC[C@@H](n3cc(C[NH3+])nn3)C2)c1 ZINC000424027695 563367661 /nfs/dbraw/zinc/36/76/61/563367661.db2.gz YLNPIGDALDGWJY-CQSZACIVSA-N 1 0 392.301 2.593 20 0 GFADRO CCC(O)(CC)CC[NH2+][C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000281158541 563367664 /nfs/dbraw/zinc/36/76/64/563367664.db2.gz PQQHKGQKGPTMDY-NSHDSACASA-N 1 0 393.347 2.688 20 0 GFADRO Cc1[nH]c(=O)c(C(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)cc1Br ZINC000424029946 563368049 /nfs/dbraw/zinc/36/80/49/563368049.db2.gz QDCWAXJCBLFJSG-SWLSCSKDSA-N 1 0 394.244 2.564 20 0 GFADRO C[C@@H]([NH2+]C[C@@H]1CCSC1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000281167338 563368280 /nfs/dbraw/zinc/36/82/80/563368280.db2.gz QJQRHRZIWLKYFW-ZJUUUORDSA-N 1 0 379.345 2.500 20 0 GFADRO COc1cc(C(=O)N2C[C@H]([NH3+])Cc3ccccc32)cc(OC)c1Br ZINC000424068825 563369407 /nfs/dbraw/zinc/36/94/07/563369407.db2.gz AUHALLNTJNMAAT-CYBMUJFWSA-N 1 0 391.265 2.997 20 0 GFADRO CCOc1cc(Br)ccc1NC(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000424131485 563371631 /nfs/dbraw/zinc/37/16/31/563371631.db2.gz WCQKYLWTAGEHQS-GFCCVEGCSA-N 1 0 394.273 2.616 20 0 GFADRO C[NH+]1CCC(O)(CNC(=O)Nc2cc(F)c(Br)cc2Cl)CC1 ZINC000281286997 563372041 /nfs/dbraw/zinc/37/20/41/563372041.db2.gz CFEOSHLUZPAKQG-UHFFFAOYSA-N 1 0 394.672 2.820 20 0 GFADRO CS(=O)(=O)CCCC[NH2+]Cc1ccc(OC(F)F)c(Br)c1 ZINC000424166849 563372298 /nfs/dbraw/zinc/37/22/98/563372298.db2.gz BPDAUEUXBVMDDJ-UHFFFAOYSA-N 1 0 386.258 2.965 20 0 GFADRO CCN1CC[NH+](CCCCNC(=O)CCc2ccccc2Br)CC1 ZINC000299043489 563373696 /nfs/dbraw/zinc/37/36/96/563373696.db2.gz REHLEYZFQCTSPE-UHFFFAOYSA-N 1 0 396.373 2.916 20 0 GFADRO C[N@H+](Cc1ccc(I)c(Cl)c1)CC1(O)CCOCC1 ZINC000281334221 563373689 /nfs/dbraw/zinc/37/36/89/563373689.db2.gz QCFVKRUJQMDSMC-UHFFFAOYSA-N 1 0 395.668 2.918 20 0 GFADRO COc1cc(C(=O)N2CCC3(C2)CC[NH2+]CC3)cc(OC)c1Br ZINC000374515483 563374781 /nfs/dbraw/zinc/37/47/81/563374781.db2.gz UUPSHSUEWCFVRB-UHFFFAOYSA-N 1 0 383.286 2.682 20 0 GFADRO C[C@@H]([NH2+]C[C@H]1CCN(C)C(=O)C1)c1ccc(F)c(I)c1 ZINC000424315472 563375698 /nfs/dbraw/zinc/37/56/98/563375698.db2.gz CIQWXNRJYZPXQS-MNOVXSKESA-N 1 0 390.240 2.949 20 0 GFADRO C[C@H]1CC2(CN1S(=O)(=O)c1ccc(Br)cc1F)CC[NH2+]CC2 ZINC000424392311 563377838 /nfs/dbraw/zinc/37/78/38/563377838.db2.gz PAVYKJMGKKLTFY-NSHDSACASA-N 1 0 391.306 2.741 20 0 GFADRO Cc1cc(C[NH3+])cc(NC(=O)C(=O)N(C)Cc2cc(Br)cs2)c1 ZINC000424442570 563379620 /nfs/dbraw/zinc/37/96/20/563379620.db2.gz VVSPXNNGQCNAPS-UHFFFAOYSA-N 1 0 396.310 2.875 20 0 GFADRO CC1=C(Br)CN(C(=O)Nc2cc(C(N)=O)ccc2C[NH+](C)C)CC1 ZINC000281566232 563380162 /nfs/dbraw/zinc/38/01/62/563380162.db2.gz YQFPJTPHLIPUFE-UHFFFAOYSA-N 1 0 395.301 2.754 20 0 GFADRO Cn1ccnc1[C@](O)(C[NH2+]Cc1cc(Br)cs1)C(F)(F)F ZINC000299302551 563380706 /nfs/dbraw/zinc/38/07/06/563380706.db2.gz AZZYGKRJVUIUOI-LLVKDONJSA-N 1 0 384.221 2.784 20 0 GFADRO CN(CCC[NH+]1CCCC1)S(=O)(=O)c1cc(Br)cnc1Cl ZINC000281604543 563380802 /nfs/dbraw/zinc/38/08/02/563380802.db2.gz SCHVVQGGJJWMPL-UHFFFAOYSA-N 1 0 396.738 2.604 20 0 GFADRO OC[C@]1([NH2+]C[C@@H](O)c2ccccc2Br)CCOc2ccccc21 ZINC000281707194 563384492 /nfs/dbraw/zinc/38/44/92/563384492.db2.gz OGKJETOZLPJHFU-SJLPKXTDSA-N 1 0 378.266 2.742 20 0 GFADRO Cc1ccc(-n2cnnc2SCC(=O)NCCCC[NH+](C)C)cc1Cl ZINC000299506079 563384941 /nfs/dbraw/zinc/38/49/41/563384941.db2.gz PLJQBNLNXWJDLX-UHFFFAOYSA-N 1 0 381.933 2.779 20 0 GFADRO COc1ncc(C(=O)N2C[C@@H]([NH+](C)C)Cc3ccccc32)cc1Br ZINC000424666019 563386078 /nfs/dbraw/zinc/38/60/78/563386078.db2.gz RRAAZVLMYIUAIM-AWEZNQCLSA-N 1 0 390.281 2.986 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2cc(Cl)c(N)c(Cl)c2)[C@@H](C)C1 ZINC000299725679 563390821 /nfs/dbraw/zinc/39/08/21/563390821.db2.gz UMFKNKBUMIWKON-HZMBPMFUSA-N 1 0 387.311 2.703 20 0 GFADRO C[S@@](=O)C1(CNC(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)CCC1 ZINC000281947451 563391109 /nfs/dbraw/zinc/39/11/09/563391109.db2.gz XTEAQOCYSPAHTR-ODCWNRFASA-N 1 0 383.583 2.561 20 0 GFADRO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(c2ccc(Br)cn2)CC1 ZINC000301058014 563391579 /nfs/dbraw/zinc/39/15/79/563391579.db2.gz AYBMDSJUICTBBV-UHFFFAOYSA-N 1 0 397.361 2.765 20 0 GFADRO CC1CC[NH+]([C@H](CNc2ncc(S(N)(=O)=O)s2)c2ccccc2)CC1 ZINC000301136461 563393687 /nfs/dbraw/zinc/39/36/87/563393687.db2.gz ABBGZNNOEVKQJH-OAHLLOKOSA-N 1 0 380.539 2.676 20 0 GFADRO CC[N@H+](CCOCCO)Cc1ccnc(-c2ccc(Br)cc2)n1 ZINC000281994895 563393783 /nfs/dbraw/zinc/39/37/83/563393783.db2.gz ILEVVHWJJLVDGF-UHFFFAOYSA-N 1 0 380.286 2.737 20 0 GFADRO C[NH+](C)C[C@H]1CCN(C(=O)N[C@H]2CCOc3c(Br)cccc32)C1 ZINC000282057990 563395537 /nfs/dbraw/zinc/39/55/37/563395537.db2.gz ANFYTULSVCVBOI-DOMZBBRYSA-N 1 0 382.302 2.866 20 0 GFADRO CC1CC[NH+](CCCNc2ccc(S(N)(=O)=O)cc2C(F)(F)F)CC1 ZINC000301206342 563396441 /nfs/dbraw/zinc/39/64/41/563396441.db2.gz QKIZTPQDVUHDJY-UHFFFAOYSA-N 1 0 379.448 2.887 20 0 GFADRO Cn1ncc(NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)c(Br)c1=O ZINC000301236164 563397175 /nfs/dbraw/zinc/39/71/75/563397175.db2.gz LTVWOTMNJZUHAA-HNNXBMFYSA-N 1 0 391.313 2.519 20 0 GFADRO O=C(NCC1(c2ccc(Br)cc2)CCOCC1)[C@H]1C[C@]12CC[NH2+]C2 ZINC000375260902 563397328 /nfs/dbraw/zinc/39/73/28/563397328.db2.gz SXQGHVRMBIDZIK-APWZRJJASA-N 1 0 393.325 2.613 20 0 GFADRO [NH3+][C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1 ZINC000375253776 563397331 /nfs/dbraw/zinc/39/73/31/563397331.db2.gz VMGCMAKMVVWLIU-QPKOPYBWSA-N 1 0 382.291 2.827 20 0 GFADRO COCc1ncsc1C(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000375265557 563397528 /nfs/dbraw/zinc/39/75/28/563397528.db2.gz HSLDWMGKOBHMQX-UHFFFAOYSA-N 1 0 377.432 2.825 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCOc2c(Br)cccc21)C(=O)NC[C@H]1CCCO1 ZINC000282104171 563397789 /nfs/dbraw/zinc/39/77/89/563397789.db2.gz PNCQJNORNXSCHU-YWPYICTPSA-N 1 0 383.286 2.546 20 0 GFADRO C[N@@H+]1C[C@@H]2CCCN(C(=O)c3ccc(I)c(F)c3)[C@@H]2C1 ZINC000425056780 563402513 /nfs/dbraw/zinc/40/25/13/563402513.db2.gz KWTPRAXCMSZVPY-SMDDNHRTSA-N 1 0 388.224 2.597 20 0 GFADRO Cc1ccc(C(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)cc1I ZINC000425054913 563402609 /nfs/dbraw/zinc/40/26/09/563402609.db2.gz FZNJWANZJKOHNX-DZGCQCFKSA-N 1 0 384.261 2.766 20 0 GFADRO C[N@@H+]1C[C@@H]2CCCN(C(=O)c3cn(-c4ccc(Br)cc4)cn3)[C@@H]2C1 ZINC000425061026 563403016 /nfs/dbraw/zinc/40/30/16/563403016.db2.gz XLSXFDOFAPBJNT-SUMWQHHRSA-N 1 0 389.297 2.801 20 0 GFADRO C[NH+]1CCC(NS(=O)(=O)c2ccc3ccccc3c2Br)CC1 ZINC000425139358 563406260 /nfs/dbraw/zinc/40/62/60/563406260.db2.gz BVTHAQJSMYMRGP-UHFFFAOYSA-N 1 0 383.311 2.975 20 0 GFADRO Cn1cncc1[C@@H]1NC(=O)CC[C@H]1[NH2+][C@@H]1CCc2c1cccc2Br ZINC000375504663 563406991 /nfs/dbraw/zinc/40/69/91/563406991.db2.gz HWVVCROVRVMVPR-IIDMSEBBSA-N 1 0 389.297 2.779 20 0 GFADRO O=C(Cc1ccc(Br)s1)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000282325433 563407383 /nfs/dbraw/zinc/40/73/83/563407383.db2.gz FJZLSRAAKVGPIY-CYBMUJFWSA-N 1 0 387.343 2.624 20 0 GFADRO Cc1cnc(N2CCC(OCC[NH+](C)C)CC2)c(I)c1 ZINC000425233126 563413222 /nfs/dbraw/zinc/41/32/22/563413222.db2.gz VOFDOYBUYHYLDG-UHFFFAOYSA-N 1 0 389.281 2.542 20 0 GFADRO COC(=O)[C@H]1CN(c2cc[nH+]c3cc(OC)c(Br)cc32)C[C@@H](C)O1 ZINC000425253615 563414832 /nfs/dbraw/zinc/41/48/32/563414832.db2.gz LJQIRGGHXIJPRW-QLJPJBMISA-N 1 0 395.253 2.773 20 0 GFADRO Cc1sc(Br)c(C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)c1C ZINC000282541379 563415345 /nfs/dbraw/zinc/41/53/45/563415345.db2.gz XOAHQHIGTIAMNX-NSHDSACASA-N 1 0 388.375 2.741 20 0 GFADRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cc(Br)cc3nc[nH]c32)C1 ZINC000282584608 563416744 /nfs/dbraw/zinc/41/67/44/563416744.db2.gz VBRUGACPTBMNRC-IAQYHMDHSA-N 1 0 377.286 2.882 20 0 GFADRO C[N@@H+]1CCN(CCNC(=O)Nc2ccc(Br)cc2F)CC1(C)C ZINC000282575783 563416856 /nfs/dbraw/zinc/41/68/56/563416856.db2.gz DHXXNIHHZBMGAA-UHFFFAOYSA-N 1 0 387.297 2.736 20 0 GFADRO CN(C)C(=O)CN1CCC([NH2+][C@H]2CCc3ccc(Br)cc32)CC1 ZINC000282598054 563417255 /nfs/dbraw/zinc/41/72/55/563417255.db2.gz JNRHQHLUHZKYPX-KRWDZBQOSA-N 1 0 380.330 2.579 20 0 GFADRO COCCCn1nccc1C[NH2+]Cc1cc(Br)c2c(c1)OCCO2 ZINC000282611975 563418081 /nfs/dbraw/zinc/41/80/81/563418081.db2.gz IQYUWVWVOKOJAE-UHFFFAOYSA-N 1 0 396.285 2.743 20 0 GFADRO O[C@H]1[C@@H](C[NH2+]Cc2cnc3ccc(Br)cn23)CCC12CCOCC2 ZINC000282649447 563419504 /nfs/dbraw/zinc/41/95/04/563419504.db2.gz HRSRQBLOENMGPL-DYVFJYSZSA-N 1 0 394.313 2.754 20 0 GFADRO COC(=O)c1cnc([C@H](C)NC(=O)NC[C@H](c2ccsc2)[NH+](C)C)s1 ZINC000425399548 563420814 /nfs/dbraw/zinc/42/08/14/563420814.db2.gz WRUYZRVAOUDCHB-CMPLNLGQSA-N 1 0 382.511 2.654 20 0 GFADRO CC(C)C[NH+]1CCC(NC(=O)NC[C@@H](O)c2cccc(Br)c2)CC1 ZINC000282700714 563421653 /nfs/dbraw/zinc/42/16/53/563421653.db2.gz LYEJKKQGBAXCBM-QGZVFWFLSA-N 1 0 398.345 2.902 20 0 GFADRO CN(C)S(=O)(=O)c1ccc(C[NH2+][C@H]2CCN(C)[C@H]2c2ccccc2)s1 ZINC000425444495 563422862 /nfs/dbraw/zinc/42/28/62/563422862.db2.gz NURXEQLIOACZAI-WMZOPIPTSA-N 1 0 379.551 2.533 20 0 GFADRO CC[N@H+](CCOCCO)Cc1cc(Br)cc(Br)c1N ZINC000282781780 563424085 /nfs/dbraw/zinc/42/40/85/563424085.db2.gz QKZLNAUIYODMHP-UHFFFAOYSA-N 1 0 396.123 2.625 20 0 GFADRO COCC(C)(C)[NH+]1CCN(Cc2nc3ccc(Br)cc3n2C)CC1 ZINC000425500384 563425565 /nfs/dbraw/zinc/42/55/65/563425565.db2.gz BAQCFTVGPYIYPY-UHFFFAOYSA-N 1 0 395.345 2.878 20 0 GFADRO C[C@@H](CNCc1ncc(I)s1)C[NH+]1CCCCC1 ZINC000302538299 563425935 /nfs/dbraw/zinc/42/59/35/563425935.db2.gz IDRCMFRLQJOSRA-NSHDSACASA-N 1 0 379.311 2.959 20 0 GFADRO C[C@H](CNCc1ncc(I)s1)C[NH+]1CCCCC1 ZINC000302538298 563426149 /nfs/dbraw/zinc/42/61/49/563426149.db2.gz IDRCMFRLQJOSRA-LLVKDONJSA-N 1 0 379.311 2.959 20 0 GFADRO C[C@H](C[NH+]1CCCCC1)NC(=O)c1cc(Br)c2c(c1)OCCO2 ZINC000303034556 563432444 /nfs/dbraw/zinc/43/24/44/563432444.db2.gz QQRKGWACEGMFOW-GFCCVEGCSA-N 1 0 383.286 2.825 20 0 GFADRO CC(C)CNC(=O)NC(=O)[C@H](C)[N@H+](C)CCc1ccc(Br)cc1 ZINC000303355290 563433335 /nfs/dbraw/zinc/43/33/35/563433335.db2.gz ZHBLOXSOKOTUIR-ZDUSSCGKSA-N 1 0 384.318 2.794 20 0 GFADRO CN(c1ncc(I)cn1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309837145 563434851 /nfs/dbraw/zinc/43/48/51/563434851.db2.gz IVEZRVADNWCACX-OAHLLOKOSA-N 1 0 394.260 2.792 20 0 GFADRO CC(C)[N@H+](C)C[C@H](C)NC(=O)C(=O)Nc1cc(Cl)ccc1OC(F)F ZINC000425792294 563438016 /nfs/dbraw/zinc/43/80/16/563438016.db2.gz ZRQKREDXMSWYJE-JTQLQIEISA-N 1 0 377.819 2.725 20 0 GFADRO CCOc1ccc(Br)cc1S(=O)(=O)N[C@H](C)CCCC[NH3+] ZINC000314067411 563438431 /nfs/dbraw/zinc/43/84/31/563438431.db2.gz ZDCLWCRHXWWBGG-LLVKDONJSA-N 1 0 379.320 2.644 20 0 GFADRO CCOc1ccc(Br)cc1S(=O)(=O)N1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000316478197 563441755 /nfs/dbraw/zinc/44/17/55/563441755.db2.gz WPQQSOIGKKPSFN-YPMHNXCESA-N 1 0 391.331 2.738 20 0 GFADRO C[NH+](C)C[C@](C)(O)CNC(=O)N[C@H]1c2cc(Br)ccc2CC1(C)C ZINC000426038472 563442847 /nfs/dbraw/zinc/44/28/47/563442847.db2.gz ZDGCOGDVNXEQBF-MAUKXSAKSA-N 1 0 398.345 2.684 20 0 GFADRO CCN(CC[NH2+][C@@H](C)c1cccc(NS(C)(=O)=O)c1)CCC(F)(F)F ZINC000426060508 563442927 /nfs/dbraw/zinc/44/29/27/563442927.db2.gz RHZPDBZQBSELHU-ZDUSSCGKSA-N 1 0 381.464 2.983 20 0 GFADRO Cc1cc(NC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc(C)c1Br ZINC000426105404 563443222 /nfs/dbraw/zinc/44/32/22/563443222.db2.gz UULAISQWLYRFQK-CABCVRRESA-N 1 0 394.313 2.747 20 0 GFADRO Cc1ccc(Br)cc1S(=O)(=O)NCCC[NH2+]Cc1cccnc1 ZINC000319547369 563445794 /nfs/dbraw/zinc/44/57/94/563445794.db2.gz IZBCVFSGOZFTRB-UHFFFAOYSA-N 1 0 398.326 2.611 20 0 GFADRO COc1cc(Br)c(C[N@@H+]2CC[C@H](C(=O)N3CCCC3)C2)cc1OC ZINC000376553001 563445921 /nfs/dbraw/zinc/44/59/21/563445921.db2.gz LMNOZBLMYSHTBY-ZDUSSCGKSA-N 1 0 397.313 2.911 20 0 GFADRO COc1ccc([C@H](C)[NH2+]Cc2ccc(S(N)(=O)=O)cc2)cc1Br ZINC000320237524 563446080 /nfs/dbraw/zinc/44/60/80/563446080.db2.gz VZNOOJAJZLYAMR-NSHDSACASA-N 1 0 399.310 2.956 20 0 GFADRO Cc1cc(NC(=O)C(=O)N[C@H]2C[N@H+](C3CC3)C[C@H]2C)cc(C)c1Br ZINC000426286374 563447712 /nfs/dbraw/zinc/44/77/12/563447712.db2.gz NOFSLBFKVDXEJY-DOMZBBRYSA-N 1 0 394.313 2.603 20 0 GFADRO CN(CCOc1ccc(Br)cc1)C(=O)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000321497998 563448562 /nfs/dbraw/zinc/44/85/62/563448562.db2.gz ULLYEYGDQBPRSR-AWEZNQCLSA-N 1 0 395.219 2.828 20 0 GFADRO COc1ccc(Br)c(-c2nnc(N3CC[NH+](C4CC4)CC3)n2C)c1 ZINC000283601928 563449194 /nfs/dbraw/zinc/44/91/94/563449194.db2.gz URBLOGPUMNYWTO-UHFFFAOYSA-N 1 0 392.301 2.538 20 0 GFADRO CC(C)[C@@H]([NH3+])c1cn(Cc2nc(-c3cccc(Br)c3)no2)nn1 ZINC000322130261 563449473 /nfs/dbraw/zinc/44/94/73/563449473.db2.gz APRMVWXHQJOQHK-CQSZACIVSA-N 1 0 377.246 2.795 20 0 GFADRO CCC[C@@H]([NH3+])c1cn(Cc2nnc(-c3ccccc3Br)o2)nn1 ZINC000323581242 563450534 /nfs/dbraw/zinc/45/05/34/563450534.db2.gz AGSUJYOJPZYBGN-GFCCVEGCSA-N 1 0 377.246 2.939 20 0 GFADRO C[N@@H+]1CC[C@@H](CNC(=O)c2cnc(C3OCCO3)s2)[C@H]1c1cccs1 ZINC000376678733 563450610 /nfs/dbraw/zinc/45/06/10/563450610.db2.gz ISNGORBVTQXFDC-FZMZJTMJSA-N 1 0 379.507 2.673 20 0 GFADRO Cc1cc(C(=O)N2CCC[N@@H+]([C@@H](C)CO)CC2)cc(Cl)c1Br ZINC000376715643 563452142 /nfs/dbraw/zinc/45/21/42/563452142.db2.gz KJDWLZYRMLVGTO-LBPRGKRZSA-N 1 0 389.721 2.940 20 0 GFADRO Cc1cc(Br)cc(C(=O)Nc2ccc(N3CC[NH2+]CC3)cn2)c1 ZINC000324340394 563452446 /nfs/dbraw/zinc/45/24/46/563452446.db2.gz DFARAGARJXGWHS-UHFFFAOYSA-N 1 0 375.270 2.814 20 0 GFADRO COc1ccc(C[NH2+]C[C@H](O)COc2ccc(Br)cc2)cc1OC ZINC000324236345 563452505 /nfs/dbraw/zinc/45/25/05/563452505.db2.gz WVABIVWUDMTKSW-HNNXBMFYSA-N 1 0 396.281 2.996 20 0 GFADRO COCC[N@H+](Cc1cc(Br)c2c(c1)OCCCO2)[C@H]1CCOC1 ZINC000426540847 563452863 /nfs/dbraw/zinc/45/28/63/563452863.db2.gz QSWBBQRIRGOAPO-AWEZNQCLSA-N 1 0 386.286 2.848 20 0 GFADRO CNS(=O)(=O)CCCN1CCC[C@@H]1c1nc(-c2ccc(Cl)cc2)c[nH]1 ZINC000426996265 563458187 /nfs/dbraw/zinc/45/81/87/563458187.db2.gz YWMTVOYBNLGTKZ-MRXNPFEDSA-N 1 0 382.917 2.806 20 0 GFADRO C[C@H](CNC(=O)C(=O)NC[C@@H](c1cccs1)[NH+](C)C)Cc1cccs1 ZINC000283942508 563459727 /nfs/dbraw/zinc/45/97/27/563459727.db2.gz FEWFOWGCGSIXTO-ZFWWWQNUSA-N 1 0 379.551 2.524 20 0 GFADRO O=S(=O)(C[C@H]1CCCO1)NC[C@H](c1c(F)cccc1Cl)N1CCCC1 ZINC000328704422 563463061 /nfs/dbraw/zinc/46/30/61/563463061.db2.gz KPEGIWYFIGGYQE-CZUORRHYSA-N 1 0 390.908 2.714 20 0 GFADRO Cc1cc(Br)c(S(=O)(=O)N2CC[C@H](c3nccn3C)C2)s1 ZINC000328764883 563464621 /nfs/dbraw/zinc/46/46/21/563464621.db2.gz GPKLBFBKRQTFIW-JTQLQIEISA-N 1 0 390.328 2.731 20 0 GFADRO Cc1ncc(C[N@@H+]2CC[C@H](NC(=O)c3c(C)nn(C)c3Cl)[C@H](C)C2)s1 ZINC000377230581 563468071 /nfs/dbraw/zinc/46/80/71/563468071.db2.gz CSWZIKQXGWEEJO-YGRLFVJLSA-N 1 0 381.933 2.787 20 0 GFADRO CCn1cc(S(=O)(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)nc1C ZINC000329179911 563474880 /nfs/dbraw/zinc/47/48/80/563474880.db2.gz MWSWVRJOOQCGSE-WMLDXEAASA-N 1 0 382.555 2.634 20 0 GFADRO C[C@H](CN1CCCC1=O)NC(=O)C1CC[NH+](Cc2ccc(Cl)s2)CC1 ZINC000377454461 563475077 /nfs/dbraw/zinc/47/50/77/563475077.db2.gz MNGQODFGEWTRIK-CYBMUJFWSA-N 1 0 383.945 2.741 20 0 GFADRO C[NH2+]CCC1CCN(S(=O)(=O)c2cccc(OC(F)(F)F)c2F)CC1 ZINC000427931356 563479180 /nfs/dbraw/zinc/47/91/80/563479180.db2.gz LIOBQJQPYXFGSN-UHFFFAOYSA-N 1 0 384.395 2.735 20 0 GFADRO CC[NH2+]CC1CCN(S(=O)(=O)c2cccc(OC(F)(F)F)c2F)CC1 ZINC000427952293 563479289 /nfs/dbraw/zinc/47/92/89/563479289.db2.gz TZKYOBDJRXUXEL-UHFFFAOYSA-N 1 0 384.395 2.735 20 0 GFADRO O=C(N[C@@H]1CCN(c2cccc(Br)c2)C1)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000428060766 563481507 /nfs/dbraw/zinc/48/15/07/563481507.db2.gz MECIOKFWRJTKMZ-PBHICJAKSA-N 1 0 378.314 2.771 20 0 GFADRO C[C@H](C[NH+]1CCOCC1)C(=O)N[C@H]1CSc2ccc(Br)cc21 ZINC000428191258 563484418 /nfs/dbraw/zinc/48/44/18/563484418.db2.gz JPRJQTZZUWDARK-RISCZKNCSA-N 1 0 385.327 2.680 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@H](Nc2c(F)cc(S(N)(=O)=O)cc2Br)C1 ZINC000428175588 563484672 /nfs/dbraw/zinc/48/46/72/563484672.db2.gz JCUJPAAWSHBPBD-VHSXEESVSA-N 1 0 394.310 2.520 20 0 GFADRO O=S1(=O)CCC[C@@H](C[NH2+][C@H](CO)c2ccc(Cl)cc2C(F)(F)F)C1 ZINC000284787411 563490249 /nfs/dbraw/zinc/49/02/49/563490249.db2.gz NTYYDKMXWDCOTH-IINYFYTJSA-N 1 0 385.835 2.807 20 0 GFADRO Cc1[nH]c(=O)c(Br)cc1C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000284860506 563492570 /nfs/dbraw/zinc/49/25/70/563492570.db2.gz DJCSRNKHIYZLIQ-LBPRGKRZSA-N 1 0 384.299 2.952 20 0 GFADRO COc1ccc2c(c1)OC[C@@H]([NH2+][C@@H](C)Cn1cc(Br)ccc1=O)C2 ZINC000428463218 563493277 /nfs/dbraw/zinc/49/32/77/563493277.db2.gz PBZSSUNLPXZSLE-WFASDCNBSA-N 1 0 393.281 2.601 20 0 GFADRO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]Cc1cn(C)nc1C(F)(F)F ZINC000428456535 563493490 /nfs/dbraw/zinc/49/34/90/563493490.db2.gz FPCFVHLFOTYILB-VIFPVBQESA-N 1 0 393.207 2.541 20 0 GFADRO Cc1cc(NC(=O)CN2C[C@@H](C)O[C@@]3(CCCOC3)C2)ccc1Br ZINC000330141828 563496859 /nfs/dbraw/zinc/49/68/59/563496859.db2.gz XWNKUGJNWMMZKM-KDOFPFPSSA-N 1 0 397.313 2.966 20 0 GFADRO CC(C)c1cc(NCc2ccc(S(C)(=O)=O)c(Cl)c2)nc(N(C)C)[nH+]1 ZINC000428656805 563498100 /nfs/dbraw/zinc/49/81/00/563498100.db2.gz KSRUCDXBJPIVDK-UHFFFAOYSA-N 1 0 382.917 3.335 20 0 GFADRO Cc1cccc(C(=O)NC[C@H]2CCC[C@@H]2[NH+]2CCOCC2)c1Br ZINC000378273334 563501024 /nfs/dbraw/zinc/50/10/24/563501024.db2.gz QMCAUCKWQACEFB-ZBFHGGJFSA-N 1 0 381.314 2.988 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCN(c2ccccc2C(N)=O)C1)c1ncc(Br)s1 ZINC000378271281 563501031 /nfs/dbraw/zinc/50/10/31/563501031.db2.gz MHZPOXLWXPGWLH-WDEREUQCSA-N 1 0 395.326 2.934 20 0 GFADRO Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](C[C@@H]3CCCO3)C[C@H]2C)c(Br)n1 ZINC000378282098 563501366 /nfs/dbraw/zinc/50/13/66/563501366.db2.gz LPSHMULQCIOYME-IVMMDQJWSA-N 1 0 396.329 2.772 20 0 GFADRO C[C@@H](NC(=O)C1CCN(C(=O)c2ccc(Cl)s2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000428941660 563504854 /nfs/dbraw/zinc/50/48/54/563504854.db2.gz KBYGQWXIXNWSRJ-TZMCWYRMSA-N 1 0 383.945 2.758 20 0 GFADRO C[C@@H]([NH2+][C@@H]1CCN(c2ccccc2Cl)C1)c1ccc(S(N)(=O)=O)cc1 ZINC000378423007 563505987 /nfs/dbraw/zinc/50/59/87/563505987.db2.gz BSDDZTAMPBVKQA-UKRRQHHQSA-N 1 0 379.913 2.917 20 0 GFADRO C[C@H](NC(=O)c1ccc(S(=O)(=O)c2ccccc2)s1)[C@H]1CCC[NH2+]C1 ZINC000428993803 563506279 /nfs/dbraw/zinc/50/62/79/563506279.db2.gz NYZATWRXFVEZMJ-KBPBESRZSA-N 1 0 378.519 2.699 20 0 GFADRO CCOc1c(Br)cc(C(=O)N[C@@H](C)[C@@H]2CCC[NH2+]C2)cc1OC ZINC000428996589 563506409 /nfs/dbraw/zinc/50/64/09/563506409.db2.gz SBGPXYKSSYXCKF-NWDGAFQWSA-N 1 0 385.302 2.974 20 0 GFADRO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1cc(Cl)cc(F)c1Br ZINC000285191030 563507663 /nfs/dbraw/zinc/50/76/63/563507663.db2.gz IREDKCDZGIFLMY-NSHDSACASA-N 1 0 393.684 2.818 20 0 GFADRO C[C@H]1C[C@H]1[N@@H+]1CCN([C@H](C(N)=O)c2ccc(Br)cc2)C[C@@H](C)C1 ZINC000429015902 563507838 /nfs/dbraw/zinc/50/78/38/563507838.db2.gz AUPXFIHONOOPPO-CLROSIBMSA-N 1 0 380.330 2.638 20 0 GFADRO Cc1ccc(NC(=O)CC[NH2+][C@H](CO)c2ccc(Br)c(F)c2)nc1 ZINC000429021836 563507982 /nfs/dbraw/zinc/50/79/82/563507982.db2.gz QTTKOWRSNGDSIU-OAHLLOKOSA-N 1 0 396.260 2.943 20 0 GFADRO COc1ccc(Br)c(CN(C)C(=O)C[N@H+](C)[C@@H]2CCSC2)c1 ZINC000429047028 563508720 /nfs/dbraw/zinc/50/87/20/563508720.db2.gz OWCCJZUIKYPMBB-CYBMUJFWSA-N 1 0 387.343 2.853 20 0 GFADRO O=C([C@@H]1COc2ccc(Br)cc21)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000378499361 563509320 /nfs/dbraw/zinc/50/93/20/563509320.db2.gz PWNRECUPFRWVQD-HZPDHXFCSA-N 1 0 379.298 2.916 20 0 GFADRO C[C@H](Oc1ccc(Cl)cc1Br)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000429119373 563509997 /nfs/dbraw/zinc/50/99/97/563509997.db2.gz YPKJFWGMVXNCAT-QWRGUYRKSA-N 1 0 375.694 2.986 20 0 GFADRO C[C@@H]1CCCN(C(=O)c2cc(F)ccc2I)[C@H]1C[NH3+] ZINC000429162366 563511016 /nfs/dbraw/zinc/51/10/16/563511016.db2.gz LNVXIGPERUHONF-RNCFNFMXSA-N 1 0 376.213 2.630 20 0 GFADRO CCNC(=O)NC(=O)[C@@H](C)[NH2+]C(C)(C)Cc1ccc(Br)c(C)c1 ZINC000429236463 563512374 /nfs/dbraw/zinc/51/23/74/563512374.db2.gz IMAGSWWVKZNMPC-GFCCVEGCSA-N 1 0 384.318 2.902 20 0 GFADRO CS(=O)(=O)N[C@@H]1CCCC[C@@H]1[NH2+]CCCc1ccccc1Br ZINC000330618244 563513915 /nfs/dbraw/zinc/51/39/15/563513915.db2.gz YBVJUNGQIYEGOE-JKSUJKDBSA-N 1 0 389.359 2.832 20 0 GFADRO CS(=O)(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCc1ccccc1Br ZINC000330618243 563514072 /nfs/dbraw/zinc/51/40/72/563514072.db2.gz YBVJUNGQIYEGOE-HZPDHXFCSA-N 1 0 389.359 2.832 20 0 GFADRO Oc1cccc2c1C[C@@H]([NH2+]C[C@H](O)COc1ccc(Br)cc1)C2 ZINC000429301891 563514305 /nfs/dbraw/zinc/51/43/05/563514305.db2.gz OZUPWYDUUXSCSS-GJZGRUSLSA-N 1 0 378.266 2.651 20 0 GFADRO CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+]Cc2cc(Br)cc3c2OCC3)C1 ZINC000378904372 563514395 /nfs/dbraw/zinc/51/43/95/563514395.db2.gz JQGIDTBBPFOPEB-LSDHHAIUSA-N 1 0 388.327 2.829 20 0 GFADRO O=S(=O)(NCCC[NH+]1CCCC1)c1c(Cl)cccc1Br ZINC000380324941 563515779 /nfs/dbraw/zinc/51/57/79/563515779.db2.gz VFZAMUUMALRURM-UHFFFAOYSA-N 1 0 381.723 2.867 20 0 GFADRO CC(C)NS(=O)(=O)NCC[NH2+][C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000429460351 563517111 /nfs/dbraw/zinc/51/71/11/563517111.db2.gz YAFNMAOZEQNAQT-SFHVURJKSA-N 1 0 381.929 2.851 20 0 GFADRO COc1ccc(Br)c(C(=O)NCCC[NH2+][C@H](C)c2cn[nH]c2)c1 ZINC000285394048 563518707 /nfs/dbraw/zinc/51/87/07/563518707.db2.gz WVUKPIFAPAESIW-LLVKDONJSA-N 1 0 381.274 2.652 20 0 GFADRO CC[N@@H+]1CC[C@H](CNC(=O)Nc2cc(Br)c(OC)cc2OC)C1 ZINC000429660888 563520526 /nfs/dbraw/zinc/52/05/26/563520526.db2.gz OGJCNFAXNRFJFY-LLVKDONJSA-N 1 0 386.290 2.930 20 0 GFADRO Cn1c(CN2CCO[C@]3(CCCOC3)C2)nc2ccc(Br)cc21 ZINC000285453644 563521556 /nfs/dbraw/zinc/52/15/56/563521556.db2.gz YRYJEVVFALCDCZ-QGZVFWFLSA-N 1 0 380.286 2.717 20 0 GFADRO CNC(=O)[C@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000429774991 563522471 /nfs/dbraw/zinc/52/24/71/563522471.db2.gz OQQMQGZVWISJGP-JQWIXIFHSA-N 1 0 377.794 2.802 20 0 GFADRO COCC[C@@]1(C(=O)N(C)CC2(c3ccc(Br)cc3)CC2)CC[NH2+]C1 ZINC000429987349 563530831 /nfs/dbraw/zinc/53/08/31/563530831.db2.gz POIZTSYIPVMSHA-SFHVURJKSA-N 1 0 395.341 2.955 20 0 GFADRO CS(=O)(=O)N[C@H]1CCC[C@H]1C[NH2+]Cc1cc(Cl)ccc1OCC1CC1 ZINC000430025499 563531816 /nfs/dbraw/zinc/53/18/16/563531816.db2.gz JIXIOSMNTVEQNT-YOEHRIQHSA-N 1 0 386.945 2.936 20 0 GFADRO C[NH+]1CC2(C1)CCN(C(=O)c1ccc(I)c(Cl)c1)C2 ZINC000398728123 563532976 /nfs/dbraw/zinc/53/29/76/563532976.db2.gz UTZLHRUFLHJGGE-UHFFFAOYSA-N 1 0 390.652 2.722 20 0 GFADRO CN(C(=O)C[C@@H]1C[NH2+]CCO1)[C@H]1CCSc2ccc(Br)cc21 ZINC000430104451 563533320 /nfs/dbraw/zinc/53/33/20/563533320.db2.gz JDKHBHIWPBEJML-OCCSQVGLSA-N 1 0 385.327 2.823 20 0 GFADRO COc1cc(C)c(Br)cc1C(=O)NCC1(O)CC[NH+](C(C)C)CC1 ZINC000285749526 563535360 /nfs/dbraw/zinc/53/53/60/563535360.db2.gz RVCHUYTYSLJTDL-UHFFFAOYSA-N 1 0 399.329 2.731 20 0 GFADRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1cc(Br)c2c(c1)OCCO2 ZINC000285778879 563536828 /nfs/dbraw/zinc/53/68/28/563536828.db2.gz LOBAYVXDQLLPNN-JSGCOSHPSA-N 1 0 395.297 2.919 20 0 GFADRO C[C@@H]1OCC[C@@]1(O)C[NH2+]Cc1cc(Cl)ccc1I ZINC000405804362 563539532 /nfs/dbraw/zinc/53/95/32/563539532.db2.gz SDRNZZTYVZKYIF-TVQRCGJNSA-N 1 0 381.641 2.574 20 0 GFADRO CS(=O)(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(F)c(Br)c1 ZINC000331208759 563540750 /nfs/dbraw/zinc/54/07/50/563540750.db2.gz ZXJJORKJAAOPIR-ZIAGYGMSSA-N 1 0 379.295 2.538 20 0 GFADRO COCC[C@@]1(C(=O)N[C@H](C)CCc2ccc(Br)cc2)CC[NH2+]C1 ZINC000430304985 563540929 /nfs/dbraw/zinc/54/09/29/563540929.db2.gz WGXPHTGPFSCNRU-KDOFPFPSSA-N 1 0 383.330 2.903 20 0 GFADRO CCOC1CC(C[N@@H+]2CCCN(S(=O)(=O)c3ccc(Cl)s3)CC2)C1 ZINC000285983893 563544539 /nfs/dbraw/zinc/54/45/39/563544539.db2.gz MHIYJOMQXGXRJX-UHFFFAOYSA-N 1 0 392.974 2.913 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CCCN(Cc2csc(-c3ccc(S(C)(=O)=O)cc3)n2)C1 ZINC000430553128 563545164 /nfs/dbraw/zinc/54/51/64/563545164.db2.gz KUTBXZCRZYFELH-HIFRSBDPSA-N 1 0 379.551 2.773 20 0 GFADRO CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)cc1Cl ZINC000331300562 563545193 /nfs/dbraw/zinc/54/51/93/563545193.db2.gz PJIGMSYERZKPBY-STQMWFEESA-N 1 0 387.933 2.697 20 0 GFADRO C[NH2+]C[C@@H]1CCCN([C@H](C)C(=O)N(C)Cc2ccc(Br)cc2)C1 ZINC000430608622 563546830 /nfs/dbraw/zinc/54/68/30/563546830.db2.gz DYISBCFYQVRFQD-ZBFHGGJFSA-N 1 0 382.346 2.727 20 0 GFADRO Cc1cnn(C)c1C[NH2+][C@@H]1CCN(c2ccc(Br)c(C)c2)C1=O ZINC000286065015 563547156 /nfs/dbraw/zinc/54/71/56/563547156.db2.gz RQLATBGSKHEKEH-OAHLLOKOSA-N 1 0 377.286 2.695 20 0 GFADRO C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)c1cc(F)c(F)cc1I ZINC000286053810 563547265 /nfs/dbraw/zinc/54/72/65/563547265.db2.gz LLGIOXJCULBFHL-RBDZCENOSA-N 1 0 394.203 2.686 20 0 GFADRO C[NH2+]C[C@H]1CCCN(Cc2csc(-c3ccc(S(C)(=O)=O)cc3)n2)C1 ZINC000430660640 563547526 /nfs/dbraw/zinc/54/75/26/563547526.db2.gz DJJPSMKGUKNKBC-CQSZACIVSA-N 1 0 379.551 2.645 20 0 GFADRO C[C@@H]([NH2+][C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1)[C@H]1CCCOC1 ZINC000430738565 563548353 /nfs/dbraw/zinc/54/83/53/563548353.db2.gz FIZBRVNEQAWTPB-LOWVWBTDSA-N 1 0 391.331 2.562 20 0 GFADRO COc1ccc(Br)c(C(=O)NCCC[NH2+][C@H](C)c2ncc[nH]2)c1 ZINC000286103135 563549159 /nfs/dbraw/zinc/54/91/59/563549159.db2.gz NJENIOXONDDIIC-LLVKDONJSA-N 1 0 381.274 2.652 20 0 GFADRO COc1cc(Br)c(OCCN2CC[C@H]([NH3+])C2)cc1Br ZINC000430923095 563550254 /nfs/dbraw/zinc/55/02/54/563550254.db2.gz BSTIRAXLMFKSLY-VIFPVBQESA-N 1 0 394.107 2.632 20 0 GFADRO Cc1nn(C)c(NC(=O)N2C[C@H](C)[C@H]([NH3+])C2)c1-c1ccc(Br)cc1 ZINC000331496570 563551057 /nfs/dbraw/zinc/55/10/57/563551057.db2.gz HDPLGESAQMMTQJ-IINYFYTJSA-N 1 0 392.301 2.969 20 0 GFADRO O=C(Nc1nnc(CC(F)(F)F)s1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000408349952 563551874 /nfs/dbraw/zinc/55/18/74/563551874.db2.gz MQOWXZZIBMLGCY-UHFFFAOYSA-N 1 0 377.436 3.125 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@@H](NC(=O)N[C@H]2COc3cc(F)c(Br)cc32)C1 ZINC000331685372 563557802 /nfs/dbraw/zinc/55/78/02/563557802.db2.gz VAGNGVRDYITNTG-RULNRJAQSA-N 1 0 386.265 2.804 20 0 GFADRO CCC[N@H+](C)[C@@H](CNC(=O)Cc1nnc(NC)s1)c1ccc(Cl)cc1 ZINC000286378341 563558285 /nfs/dbraw/zinc/55/82/85/563558285.db2.gz NYMCOZIKMNDHKT-AWEZNQCLSA-N 1 0 381.933 2.975 20 0 GFADRO CC[NH+](CC)CCO[C@@H]1CCN(S(=O)(=O)Cc2cc(Cl)ccc2F)C1 ZINC000431289802 563558335 /nfs/dbraw/zinc/55/83/35/563558335.db2.gz ZVVNIEGTWOVPRH-MRXNPFEDSA-N 1 0 392.924 2.742 20 0 GFADRO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3C[N@@H+]2Cc1nnc(-c2ccc(Br)o2)o1 ZINC000286494691 563562934 /nfs/dbraw/zinc/56/29/34/563562934.db2.gz MBBRXDOMUNZLEJ-WIVWZLNMSA-N 1 0 380.242 2.947 20 0 GFADRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)NCCc1nc(C(F)(F)F)cs1 ZINC000286535097 563563786 /nfs/dbraw/zinc/56/37/86/563563786.db2.gz CFPHSTNCGGZROR-NEPJUHHUSA-N 1 0 376.448 2.973 20 0 GFADRO CS(=O)(=O)NC[C@@H]1CCC[N@H+](Cc2c(Cl)cccc2N2CCCC2)C1 ZINC000331884233 563565263 /nfs/dbraw/zinc/56/52/63/563565263.db2.gz FMAWCDLWXGDERT-HNNXBMFYSA-N 1 0 385.961 2.701 20 0 GFADRO Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N1CCC(O)(C[NH3+])CC1 ZINC000331885077 563565319 /nfs/dbraw/zinc/56/53/19/563565319.db2.gz IGJLLUUARLSHFH-UHFFFAOYSA-N 1 0 384.263 2.883 20 0 GFADRO C[C@H]1CCN(S(=O)(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)C1 ZINC000331944894 563568060 /nfs/dbraw/zinc/56/80/60/563568060.db2.gz PZGVWMOCFHXKJO-HNNXBMFYSA-N 1 0 385.961 2.728 20 0 GFADRO COCCC[N@H+](C)CCNC(=O)[C@@H]1C[C@@]12CCc1cc(Br)ccc12 ZINC000409732969 563569946 /nfs/dbraw/zinc/56/99/46/563569946.db2.gz PDXDYSHODATDKV-PKOBYXMFSA-N 1 0 395.341 2.738 20 0 GFADRO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1cc(C(=O)OC)cs1 ZINC000431895716 563570755 /nfs/dbraw/zinc/57/07/55/563570755.db2.gz GHDVSLZANLCVEI-ZFWWWQNUSA-N 1 0 388.555 2.714 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000332092337 563575818 /nfs/dbraw/zinc/57/58/18/563575818.db2.gz BZDWMZDCTKDGBZ-OAHLLOKOSA-N 1 0 394.313 2.783 20 0 GFADRO Cc1cc(NC(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)ccc1Br ZINC000332109411 563577012 /nfs/dbraw/zinc/57/70/12/563577012.db2.gz GPYYSMUKGQZFNY-HNNXBMFYSA-N 1 0 394.313 2.783 20 0 GFADRO CS[C@@H]1CN(C(=O)C[C@H]2Sc3ccc(Cl)cc3NC2=O)C[C@@H]1[NH+](C)C ZINC000332138177 563579084 /nfs/dbraw/zinc/57/90/84/563579084.db2.gz ISOPEVGKNXQPSB-NWANDNLSSA-N 1 0 399.969 2.647 20 0 GFADRO COCCOc1ccc(Br)cc1NC(=O)NCC[N@H+]1CC=CCC1 ZINC000432419233 563584314 /nfs/dbraw/zinc/58/43/14/563584314.db2.gz AEWBLXSGLISSIF-UHFFFAOYSA-N 1 0 398.301 2.858 20 0 GFADRO COCC[C@H](Cc1cccc(Br)c1)C(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000432515115 563586343 /nfs/dbraw/zinc/58/63/43/563586343.db2.gz OUNLXISKKMXFBY-YSVLISHTSA-N 1 0 383.330 2.759 20 0 GFADRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1cc(Br)c2c(c1)OCCO2 ZINC000287092426 563586879 /nfs/dbraw/zinc/58/68/79/563586879.db2.gz KZSHHEYBCXKSLV-DOMZBBRYSA-N 1 0 395.297 2.919 20 0 GFADRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1cc(Br)c2c(c1)OCCO2 ZINC000287092428 563587064 /nfs/dbraw/zinc/58/70/64/563587064.db2.gz KZSHHEYBCXKSLV-IUODEOHRSA-N 1 0 395.297 2.919 20 0 GFADRO CC1(C)C[NH2+]CC[C@H]1NC(=O)c1cc(=O)[nH]c2c(Br)cccc12 ZINC000332305564 563591777 /nfs/dbraw/zinc/59/17/77/563591777.db2.gz FZAXPJLZODZZPF-CYBMUJFWSA-N 1 0 378.270 2.821 20 0 GFADRO C[C@@H]([NH2+]CC1(c2ccc(Br)cc2)CCOCC1)c1nncn1C ZINC000287199490 563591823 /nfs/dbraw/zinc/59/18/23/563591823.db2.gz LSHVDSQFRCLHQE-CYBMUJFWSA-N 1 0 379.302 2.977 20 0 GFADRO C[C@H](N[C@@H]1CCS(=O)(=O)c2ccc(Br)cc21)[C@@H]1CCC[NH2+]C1 ZINC000332304331 563591862 /nfs/dbraw/zinc/59/18/62/563591862.db2.gz GNRPOQLUZONOFN-YWPYICTPSA-N 1 0 387.343 2.645 20 0 GFADRO COC(=O)c1coc(C[NH2+]C[C@@H](CO)Cc2ccccc2Br)c1 ZINC000432903041 563596555 /nfs/dbraw/zinc/59/65/55/563596555.db2.gz ISMXMXKCGFQJJA-LBPRGKRZSA-N 1 0 382.254 2.770 20 0 GFADRO C[NH+](C)C1CN(C(=O)Nc2cc(Br)cnc2OCC(F)(F)F)C1 ZINC000332438549 563598771 /nfs/dbraw/zinc/59/87/71/563598771.db2.gz JEBKMOXFIJJNRG-UHFFFAOYSA-N 1 0 397.195 2.563 20 0 GFADRO COC(=O)c1occc1C[NH2+]C[C@@H](CO)Cc1cccc(Br)c1 ZINC000433030684 563600950 /nfs/dbraw/zinc/60/09/50/563600950.db2.gz GMPYRECQFLGCGN-ZDUSSCGKSA-N 1 0 382.254 2.770 20 0 GFADRO COC(=O)c1ccc(C[NH2+]C[C@H](CO)Cc2ccc(Br)cc2)[nH]1 ZINC000433040408 563601078 /nfs/dbraw/zinc/60/10/78/563601078.db2.gz RYPMAYCQYVKZIH-CYBMUJFWSA-N 1 0 381.270 2.505 20 0 GFADRO [NH3+]C1CCN(C(=O)NC2CCN(Cc3ccc(Br)cc3)CC2)CC1 ZINC000332543956 563604082 /nfs/dbraw/zinc/60/40/82/563604082.db2.gz ZAAAGNFMIQORIN-UHFFFAOYSA-N 1 0 395.345 2.546 20 0 GFADRO OCC[N@H+](C[C@H](O)COc1cccc(C(F)(F)F)c1)[C@H]1CCCSC1 ZINC000433183648 563605465 /nfs/dbraw/zinc/60/54/65/563605465.db2.gz UOUZMLKHMOKJCF-GJZGRUSLSA-N 1 0 379.444 2.635 20 0 GFADRO CS(=O)(=O)CCCC(=O)N(CCC[NH+]1CCCC1)c1ccc(Cl)cc1 ZINC000411099573 563605585 /nfs/dbraw/zinc/60/55/85/563605585.db2.gz HCJSDSBMJQYETQ-UHFFFAOYSA-N 1 0 386.945 2.984 20 0 GFADRO C[C@H]([NH2+][C@H]1CCO[C@H](C(F)(F)F)C1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000287529730 563605931 /nfs/dbraw/zinc/60/59/31/563605931.db2.gz DOXQFCYBZQIRTC-WHOFXGATSA-N 1 0 380.432 2.697 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCO[C@H](C(F)(F)F)C1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000287529728 563606077 /nfs/dbraw/zinc/60/60/77/563606077.db2.gz DOXQFCYBZQIRTC-LNSITVRQSA-N 1 0 380.432 2.697 20 0 GFADRO C[C@H](C(=O)NC(=O)NC1CC1)[N@@H+]1CC[C@H](Cc2ccc(Br)cc2)C1 ZINC000433311176 563609149 /nfs/dbraw/zinc/60/91/49/563609149.db2.gz KYHFSURIXKLKMJ-TZMCWYRMSA-N 1 0 394.313 2.690 20 0 GFADRO CS(=O)(=O)N1CCC[C@H]([NH2+]CC2=Cc3cc(Cl)cc(Cl)c3OC2)C1 ZINC000332642019 563609437 /nfs/dbraw/zinc/60/94/37/563609437.db2.gz XCUNYKBDDFQOCH-AWEZNQCLSA-N 1 0 391.320 2.783 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)c2cnn(-c3cccc(Br)c3)c2)CC[N@@H+]1C ZINC000332654085 563610373 /nfs/dbraw/zinc/61/03/73/563610373.db2.gz JBAPGSBNYRBQBY-DOMZBBRYSA-N 1 0 377.286 2.847 20 0 GFADRO CCCC[N@H+](C)CCNC(=O)C(=O)Nc1cc(C)c(Br)c(F)c1 ZINC000411240338 563611328 /nfs/dbraw/zinc/61/13/28/563611328.db2.gz HXXAMKJVGSFMAH-UHFFFAOYSA-N 1 0 388.281 2.683 20 0 GFADRO CC(C)CNC(=O)NC(=O)[C@@H](C)[NH2+][C@H]1CCOc2c(Br)cccc21 ZINC000332706384 563612526 /nfs/dbraw/zinc/61/25/26/563612526.db2.gz KGSSOQCJMIZTAD-RISCZKNCSA-N 1 0 398.301 2.733 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)N[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000332716878 563613241 /nfs/dbraw/zinc/61/32/41/563613241.db2.gz ZLSQIBJHZZSVEJ-LXZKKBNFSA-N 1 0 395.345 2.939 20 0 GFADRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)S(=O)(=O)c1c(F)cccc1OC(F)(F)F ZINC000287719097 563615054 /nfs/dbraw/zinc/61/50/54/563615054.db2.gz GKACNXNDDQLONC-CMPLNLGQSA-N 1 0 384.395 2.685 20 0 GFADRO COC[C@@](C)(CC(=O)OC)[NH2+]CCC(=O)Nc1c(Cl)cccc1Cl ZINC000411397261 563618278 /nfs/dbraw/zinc/61/82/78/563618278.db2.gz ZCNJVRCVWPLVOY-MRXNPFEDSA-N 1 0 377.268 2.880 20 0 GFADRO CS[C@@H]1C[N@H+](CCC(=O)Nc2ccc(Br)cc2)C[C@@H]1N(C)C ZINC000411426314 563618789 /nfs/dbraw/zinc/61/87/89/563618789.db2.gz PKSDDTCDDFPUOA-LSDHHAIUSA-N 1 0 386.359 2.755 20 0 GFADRO CSc1ccc(OC[C@H](O)C[NH2+][C@@H](C[S@](C)=O)c2ccccc2)cc1 ZINC000411470516 563620537 /nfs/dbraw/zinc/62/05/37/563620537.db2.gz JFDFBPXKMUECGJ-GSQWSPMESA-N 1 0 379.547 2.858 20 0 GFADRO O=C(Nc1cnn(-c2ccccc2Br)c1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000333113747 563620570 /nfs/dbraw/zinc/62/05/70/563620570.db2.gz GXQWELXGOBANBM-QWHCGFSZSA-N 1 0 390.285 2.708 20 0 GFADRO Cc1nc(NC(=O)N2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)ccc1Br ZINC000333195408 563624039 /nfs/dbraw/zinc/62/40/39/563624039.db2.gz WCMSSTQVZRDPCQ-HIFRSBDPSA-N 1 0 383.290 2.513 20 0 GFADRO CC[NH+](CC)CCSCC(=O)N[C@@H](c1c(C)nn(C)c1C)C(F)(F)F ZINC000434032379 563624841 /nfs/dbraw/zinc/62/48/41/563624841.db2.gz RKGRLUUHKUPOFC-HNNXBMFYSA-N 1 0 380.480 2.832 20 0 GFADRO COc1cc(OC)c(NC(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1Br ZINC000333364935 563629550 /nfs/dbraw/zinc/62/95/50/563629550.db2.gz UEJLHHTWASDENX-ZYHUDNBSSA-N 1 0 384.274 2.682 20 0 GFADRO Cc1cccc(NC(=O)C(=O)NCC[C@@H]2CCC[N@@H+](C)C2)c1Br ZINC000411678035 563629688 /nfs/dbraw/zinc/62/96/88/563629688.db2.gz UJXFXBOMGSLMRX-ZDUSSCGKSA-N 1 0 382.302 2.544 20 0 GFADRO COCC[C@H]([NH2+]CC(=O)NC[C@H]1CCCO1)c1ccc(Cl)c(Cl)c1 ZINC000411707606 563630747 /nfs/dbraw/zinc/63/07/47/563630747.db2.gz ZNZULBOTNPSIEU-CJNGLKHVSA-N 1 0 375.296 2.956 20 0 GFADRO CCCN(CC[NH+]1CCCC1)[C@H](C(N)=O)c1ccc(Br)cc1F ZINC000411717213 563631070 /nfs/dbraw/zinc/63/10/70/563631070.db2.gz IALLDENRWIMVGK-INIZCTEOSA-N 1 0 386.309 2.922 20 0 GFADRO COC(=O)CC1([NH2+]CCc2cccc(Cl)c2Cl)CCS(=O)(=O)CC1 ZINC000434511460 563631539 /nfs/dbraw/zinc/63/15/39/563631539.db2.gz CMQNCWCUDXKYFJ-UHFFFAOYSA-N 1 0 394.320 2.636 20 0 GFADRO O=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)C(=O)Nc1ccc(Br)cc1F ZINC000434556695 563632529 /nfs/dbraw/zinc/63/25/29/563632529.db2.gz MVGMQZNAVHLRJT-ZDUSSCGKSA-N 1 0 398.276 2.660 20 0 GFADRO C[C@H]([NH2+][C@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1)C(=O)NCC(F)(F)F ZINC000411749587 563633107 /nfs/dbraw/zinc/63/31/07/563633107.db2.gz OYNLRRFDGCVRRT-HERUPUMHSA-N 1 0 381.801 2.881 20 0 GFADRO O=C(NCc1cc2cc(Br)ccc2[nH]1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000333480138 563634136 /nfs/dbraw/zinc/63/41/36/563634136.db2.gz BIZASPHDNUVVDI-ABAIWWIYSA-N 1 0 377.286 2.824 20 0 GFADRO O=C(CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)Nc1ccc(Br)cc1 ZINC000333504797 563634660 /nfs/dbraw/zinc/63/46/60/563634660.db2.gz WOYSVGIUWTVWFJ-INIZCTEOSA-N 1 0 394.313 2.911 20 0 GFADRO [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)CCc1ccc(Cl)c(Cl)c1 ZINC000434702302 563635362 /nfs/dbraw/zinc/63/53/62/563635362.db2.gz KOMFBOVZESDWRJ-CQSZACIVSA-N 1 0 386.323 2.772 20 0 GFADRO C[C@@H]1[NH2+]CCN(C(=O)c2cc(I)ccc2Cl)[C@H]1C ZINC000434704433 563635575 /nfs/dbraw/zinc/63/55/75/563635575.db2.gz FBOIRNKIAOENJY-IUCAKERBSA-N 1 0 378.641 2.767 20 0 GFADRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)C1(c2cncc(Br)c2)CC1 ZINC000288280464 563636291 /nfs/dbraw/zinc/63/62/91/563636291.db2.gz HGZVRQBGBMQHAE-XJKSGUPXSA-N 1 0 378.314 2.961 20 0 GFADRO [NH3+]C1(c2noc(-c3cc4c(cc3Br)NC(=O)CO4)n2)CCCCC1 ZINC000333646245 563638103 /nfs/dbraw/zinc/63/81/03/563638103.db2.gz YEDLVCNHZCPMHG-UHFFFAOYSA-N 1 0 393.241 2.948 20 0 GFADRO COC[C@H]([NH2+]CCS(=O)(=O)c1cc(Cl)ccc1Cl)[C@@H]1CCCO1 ZINC000434781661 563638207 /nfs/dbraw/zinc/63/82/07/563638207.db2.gz AMXSCOFLUCNSJE-KBPBESRZSA-N 1 0 382.309 2.551 20 0 GFADRO Cc1cc(S(=O)(=O)N2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)sc1Cl ZINC000333670422 563638762 /nfs/dbraw/zinc/63/87/62/563638762.db2.gz MZGAQGPNNDLCRM-OLZOCXBDSA-N 1 0 378.947 2.617 20 0 GFADRO CC(C)(C)c1nc2ccc(S(=O)(=O)N3CCC[C@H]4C[NH2+]C[C@H]43)cc2s1 ZINC000333684896 563639367 /nfs/dbraw/zinc/63/93/67/563639367.db2.gz PDEKPAJFMWONGB-SWLSCSKDSA-N 1 0 379.551 2.966 20 0 GFADRO COc1cc(C[NH2+]CC(C)(C)OCCO)cc(Br)c1OC(F)F ZINC000288350060 563639492 /nfs/dbraw/zinc/63/94/92/563639492.db2.gz CAERWPXYKJENJS-UHFFFAOYSA-N 1 0 398.244 2.936 20 0 GFADRO CC(C)(C)c1ccc(S(=O)(=O)N2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)s1 ZINC000333716629 563639823 /nfs/dbraw/zinc/63/98/23/563639823.db2.gz TXUMJEVZKHIQJR-LSDHHAIUSA-N 1 0 386.583 2.953 20 0 GFADRO CC(=O)N(c1nc(C[NH2+]CCCn2cc(Br)cn2)cs1)C1CC1 ZINC000288363730 563640266 /nfs/dbraw/zinc/64/02/66/563640266.db2.gz DDJCOOZAKURKRR-UHFFFAOYSA-N 1 0 398.330 2.797 20 0 GFADRO C[N@H+](CCN1CCOC(C)(C)C1)Cc1cc(Br)c2c(c1)OCCO2 ZINC000435055640 563642002 /nfs/dbraw/zinc/64/20/02/563642002.db2.gz CLZBVDBIRIWAAQ-UHFFFAOYSA-N 1 0 399.329 2.763 20 0 GFADRO OC[C@H]([NH2+]Cc1ccc(I)cc1Cl)[C@@H]1CCCOC1 ZINC000411981586 563643122 /nfs/dbraw/zinc/64/31/22/563643122.db2.gz BJUOGNIBIQLKGE-RISCZKNCSA-N 1 0 395.668 2.822 20 0 GFADRO OC[C@H]([NH2+]Cc1ccc(I)c(Cl)c1)[C@@H]1CCCOC1 ZINC000411986962 563643165 /nfs/dbraw/zinc/64/31/65/563643165.db2.gz LLTBDMJISJMJDZ-RISCZKNCSA-N 1 0 395.668 2.822 20 0 GFADRO O=C(C[NH2+][C@@H](CO)[C@@H]1CCCOC1)Nc1c(Cl)cc(Cl)cc1Cl ZINC000411984352 563643489 /nfs/dbraw/zinc/64/34/89/563643489.db2.gz CRZVLSYKTNWDHA-RNCFNFMXSA-N 1 0 381.687 2.962 20 0 GFADRO OC[C@H]([NH2+]Cc1cc(Br)ccc1OC(F)F)[C@H]1CCCOC1 ZINC000411992730 563643515 /nfs/dbraw/zinc/64/35/15/563643515.db2.gz KEARXGGYVBTEDO-GWCFXTLKSA-N 1 0 380.229 2.928 20 0 GFADRO COc1cc(C[NH2+]CCCn2cc(Br)cn2)cc2c1OCCO2 ZINC000288441722 563643618 /nfs/dbraw/zinc/64/36/18/563643618.db2.gz LWFJBTDQYAUNPM-UHFFFAOYSA-N 1 0 382.258 2.605 20 0 GFADRO CC(C)(CN1CCOCC1)[NH2+]Cc1cn(-c2ccc(Cl)c(Cl)c2)nn1 ZINC000411998280 563643972 /nfs/dbraw/zinc/64/39/72/563643972.db2.gz MNFLXJXZHIIVNQ-UHFFFAOYSA-N 1 0 384.311 2.775 20 0 GFADRO O=C(N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)N[C@@H]1CCOc2ccc(Br)cc21 ZINC000333948882 563646731 /nfs/dbraw/zinc/64/67/31/563646731.db2.gz WTBFAMVVIJNHFK-ZNEHSRBWSA-N 1 0 394.313 2.960 20 0 GFADRO CC(C)(C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12)S(=O)(=O)c1ccc(Cl)cc1 ZINC000288565280 563648207 /nfs/dbraw/zinc/64/82/07/563648207.db2.gz FXYIRYAOTAOJNO-JKSUJKDBSA-N 1 0 384.929 2.635 20 0 GFADRO CCCN(CC[NH+](C)C)C(=O)c1ccc(I)cc1NC ZINC000412223234 563650987 /nfs/dbraw/zinc/65/09/87/563650987.db2.gz ZNEXNFUWFYBASC-UHFFFAOYSA-N 1 0 389.281 2.747 20 0 GFADRO Cc1cccc(S(=O)(=O)N[C@@H]2CCC[N@@H+](C(C)C)C2)c1Br ZINC000435440692 563651419 /nfs/dbraw/zinc/65/14/19/563651419.db2.gz YZICUCKRWCFOCE-CYBMUJFWSA-N 1 0 375.332 2.909 20 0 GFADRO CN1CCO[C@@H](CNC(=O)N[C@H](c2ccc(F)c(Cl)c2)C(F)(F)F)C1 ZINC000334102819 563652310 /nfs/dbraw/zinc/65/23/10/563652310.db2.gz FFHQZJHWXMPVTO-GXFFZTMASA-N 1 0 383.773 2.712 20 0 GFADRO Cc1c(Br)cc(C(=O)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)c(=O)n1C ZINC000334087167 563652347 /nfs/dbraw/zinc/65/23/47/563652347.db2.gz PYAVOHGVHAJPBS-STQMWFEESA-N 1 0 398.345 2.554 20 0 GFADRO CNc1cc(I)ccc1C(=O)N[C@@H](C)C[N@H+](C)C(C)C ZINC000412372363 563655775 /nfs/dbraw/zinc/65/57/75/563655775.db2.gz ZRRCPQYTRUQLMV-NSHDSACASA-N 1 0 389.281 2.791 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)[C@H]1CC(=O)Nc2ccc(Br)cc21 ZINC000435893770 563660386 /nfs/dbraw/zinc/66/03/86/563660386.db2.gz ORLIDEBQZQQNJH-NUEKZKHPSA-N 1 0 392.297 2.618 20 0 GFADRO O=C1[C@@H]2CSCCN2C(=O)N1C[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000349226844 563661785 /nfs/dbraw/zinc/66/17/85/563661785.db2.gz MBVDJEHAGKQASI-CVEARBPZSA-N 1 0 379.913 2.857 20 0 GFADRO O=C(CCCc1cc(Cl)sc1Cl)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000289115790 563668420 /nfs/dbraw/zinc/66/84/20/563668420.db2.gz DBSJXANTVBVIPG-ZDUSSCGKSA-N 1 0 376.353 2.884 20 0 GFADRO O=C(NC[C@@H]1CCN(c2ccc(Br)cc2)C1)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000436305370 563669192 /nfs/dbraw/zinc/66/91/92/563669192.db2.gz GXVRKAMMHIPHOD-QMTMVMCOSA-N 1 0 392.341 2.781 20 0 GFADRO O=C(NC[C@H]1CCN(c2ccc(Br)cc2)C1)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000436305374 563669233 /nfs/dbraw/zinc/66/92/33/563669233.db2.gz GXVRKAMMHIPHOD-SPYBWZPUSA-N 1 0 392.341 2.781 20 0 GFADRO CCO[C@@H]1C[C@](CO)([NH2+]Cc2cc3c(c(Br)c2)OCO3)C1(C)C ZINC000436384564 563669901 /nfs/dbraw/zinc/66/99/01/563669901.db2.gz GPXAGLROVIEQCJ-RHSMWYFYSA-N 1 0 386.286 2.834 20 0 GFADRO C[C@@H](O)c1ncc(C[NH2+]C[C@@H](O)COc2ccc(C(F)(F)F)cc2)s1 ZINC000289203531 563671585 /nfs/dbraw/zinc/67/15/85/563671585.db2.gz HVXQUOQGHBJJQW-ZYHUDNBSSA-N 1 0 376.400 2.745 20 0 GFADRO CCOc1c(Br)cc(C[NH2+]CCN2CCCOCC2)cc1OC ZINC000289515008 563677419 /nfs/dbraw/zinc/67/74/19/563677419.db2.gz VAKWFFMMVXHXLC-UHFFFAOYSA-N 1 0 387.318 2.668 20 0 GFADRO Cn1c(SCC[N@@H+]2CCCOCC2)nc2sc3c(c2c1=O)CCCC3 ZINC000412980573 563677920 /nfs/dbraw/zinc/67/79/20/563677920.db2.gz FGRCDESNZHGBCX-UHFFFAOYSA-N 1 0 379.551 2.688 20 0 GFADRO CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+]CCc2nnc(C)s2)cc1 ZINC000289556472 563678414 /nfs/dbraw/zinc/67/84/14/563678414.db2.gz ACNDRMCXAZTRKN-CYBMUJFWSA-N 1 0 382.555 2.770 20 0 GFADRO C[NH+](C)CCn1nnnc1SCc1cccc(Br)c1Cl ZINC000412991726 563678971 /nfs/dbraw/zinc/67/89/71/563678971.db2.gz KKQYHYLYJZBZMR-UHFFFAOYSA-N 1 0 376.711 2.943 20 0 GFADRO Brc1ccn2cc(CNC3CC[NH+](C[C@H]4CCOC4)CC3)nc2c1 ZINC000289592309 563679935 /nfs/dbraw/zinc/67/99/35/563679935.db2.gz UGMUIMSWGSZZMB-CQSZACIVSA-N 1 0 393.329 2.687 20 0 GFADRO C[N@H+](Cc1ccc(Br)o1)C[C@@](C)(O)CNC(=O)OC(C)(C)C ZINC000289689947 563683233 /nfs/dbraw/zinc/68/32/33/563683233.db2.gz DUXBLERBBMRCJV-HNNXBMFYSA-N 1 0 377.279 2.750 20 0 GFADRO CN(C)[C@H](C[NH2+][C@H]1CCCc2ccc(S(N)(=O)=O)cc21)c1ccsc1 ZINC000289696116 563683441 /nfs/dbraw/zinc/68/34/41/563683441.db2.gz KDLUZODMXIZSQF-ZWKOTPCHSA-N 1 0 379.551 2.665 20 0 GFADRO O=C(NCC(F)(F)F)[C@@H]1CC[N@H+](Cc2cc3c(cc2Cl)OCCO3)C1 ZINC000289775836 563686196 /nfs/dbraw/zinc/68/61/96/563686196.db2.gz ITZVPLYWVLDJSY-SNVBAGLBSA-N 1 0 378.778 2.612 20 0 GFADRO O=C(COc1ccc(Br)cc1F)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000289823478 563688008 /nfs/dbraw/zinc/68/80/08/563688008.db2.gz AXVAJZLZTMSJRF-ZDUSSCGKSA-N 1 0 385.277 2.815 20 0 GFADRO C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2ccc(Br)cc2O)C1 ZINC000437001771 563688494 /nfs/dbraw/zinc/68/84/94/563688494.db2.gz DSISBBCCHGYVJX-JKSUJKDBSA-N 1 0 375.266 2.982 20 0 GFADRO Cn1nc(C(F)(F)F)c(CN2CCC[C@H](C[NH+]3CCOCC3)C2)c1Cl ZINC000360001234 563690264 /nfs/dbraw/zinc/69/02/64/563690264.db2.gz VIGVTFBGKMHIKQ-GFCCVEGCSA-N 1 0 380.842 2.637 20 0 GFADRO OCc1cn(CCC[NH2+][C@H](c2ccc(Br)cc2F)C2CC2)nn1 ZINC000289877645 563690297 /nfs/dbraw/zinc/69/02/97/563690297.db2.gz RXDAXDWVBZPEIE-INIZCTEOSA-N 1 0 383.265 2.803 20 0 GFADRO C[C@@]1(C[C@@H]2CCC[N@@H+]2Cc2ccc(Br)c(F)c2)NC(=O)NC1=O ZINC000289950802 563692422 /nfs/dbraw/zinc/69/24/22/563692422.db2.gz YSBKZTZHABKDGK-ZBEGNZNMSA-N 1 0 384.249 2.541 20 0 GFADRO CC[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000289981514 563693861 /nfs/dbraw/zinc/69/38/61/563693861.db2.gz OAXIHXBJYCLCTC-XKQJLSEDSA-N 1 0 380.330 2.780 20 0 GFADRO Cc1[nH+]c(C[N-]S(=O)(=O)c2c(Cl)ccnc2Cl)c2n1CCCC2 ZINC000360757407 563694192 /nfs/dbraw/zinc/69/41/92/563694192.db2.gz UGIBMWUFCVMERB-UHFFFAOYSA-N 1 0 375.281 2.708 20 0 GFADRO CC(C)(CO)[C@H]([NH2+]C[C@@H](O)c1ccc(S(C)(=O)=O)cc1)c1cccs1 ZINC000289999336 563694581 /nfs/dbraw/zinc/69/45/81/563694581.db2.gz YXBKNHGROBEIOQ-NVXWUHKLSA-N 1 0 383.535 2.534 20 0 GFADRO Cc1[nH]c(=S)sc1CC(=O)NC1CC[NH+](CC2(O)CCCCC2)CC1 ZINC000360809516 563695491 /nfs/dbraw/zinc/69/54/91/563695491.db2.gz HVCKFNBPSOOCRX-UHFFFAOYSA-N 1 0 383.583 2.559 20 0 GFADRO C[N@@H+]1CC[C@@H](CNS(=O)(=O)CC2CCOCC2)[C@H]1c1cccc(Cl)c1 ZINC000361035189 563695945 /nfs/dbraw/zinc/69/59/45/563695945.db2.gz YRDSXAINTVLBPT-FUHWJXTLSA-N 1 0 386.945 2.679 20 0 GFADRO CCc1cnc(CC[NH2+]C2CCN(S(=O)(=O)c3cccs3)CC2)s1 ZINC000361247280 563697422 /nfs/dbraw/zinc/69/74/22/563697422.db2.gz XHIMJJGEOVHKFJ-UHFFFAOYSA-N 1 0 385.580 2.752 20 0 GFADRO C[NH+](C)CCN1CCCN(C(=O)c2cc(-c3ccc(Cl)s3)on2)CC1 ZINC000361254679 563697758 /nfs/dbraw/zinc/69/77/58/563697758.db2.gz ASFBNCZXYZPSLP-UHFFFAOYSA-N 1 0 382.917 2.766 20 0 GFADRO CO[C@H](C[NH2+]C1CCN(S(=O)(=O)c2cccs2)CC1)c1ccccc1 ZINC000361269929 563698426 /nfs/dbraw/zinc/69/84/26/563698426.db2.gz AVCNYFFLWLTZMQ-QGZVFWFLSA-N 1 0 380.535 2.879 20 0 GFADRO NC(=O)c1ccccc1N1CC[C@@H]([NH2+]Cc2cc(O)ccc2Br)C1 ZINC000361292201 563698555 /nfs/dbraw/zinc/69/85/55/563698555.db2.gz AAKWJGPALMDFAL-CYBMUJFWSA-N 1 0 390.281 2.622 20 0 GFADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000437793118 563699395 /nfs/dbraw/zinc/69/93/95/563699395.db2.gz AXTUPGDYNWQEFW-RVSPLBMKSA-N 1 0 385.339 2.784 20 0 GFADRO C[C@@H](NC(=O)CN1CCC[C@H](C(=O)Nc2nccs2)C1)c1cccs1 ZINC000361538890 563699789 /nfs/dbraw/zinc/69/97/89/563699789.db2.gz PYWRQZQLLUOOQH-OLZOCXBDSA-N 1 0 378.523 2.733 20 0 GFADRO CC(C)S(=O)(=O)CC[NH2+][C@H](C)CC(=O)Nc1ccc(Br)cc1 ZINC000290194049 563700637 /nfs/dbraw/zinc/70/06/37/563700637.db2.gz GEOUTDUWPQBYDA-GFCCVEGCSA-N 1 0 391.331 2.579 20 0 GFADRO O=C(CC1CC[NH2+]CC1)N1CCC[C@H]1C(=O)Nc1ccc(Br)cc1 ZINC000361969543 563701877 /nfs/dbraw/zinc/70/18/77/563701877.db2.gz YWFXQENCUKJGCK-INIZCTEOSA-N 1 0 394.313 2.768 20 0 GFADRO O=C(NCCNc1cc[nH+]cc1)c1cn(-c2ccc(Cl)c(Cl)c2)cn1 ZINC000438256081 563703290 /nfs/dbraw/zinc/70/32/90/563703290.db2.gz IUEFBWAWLHHIBK-UHFFFAOYSA-N 1 0 376.247 2.838 20 0 GFADRO C[N@@H+]1CC[C@@H](NC(=O)c2c[nH]c(=O)c(Br)c2)[C@H]1c1ccc(F)cc1 ZINC000362144143 563703608 /nfs/dbraw/zinc/70/36/08/563703608.db2.gz ZTALRGTUGKSXCF-HUUCEWRRSA-N 1 0 394.244 2.864 20 0 GFADRO CO[C@@H](C(=O)Nc1cc(Br)ccc1N1CC[N@H+](C)C[C@@H]1C)C1CC1 ZINC000413843444 563707221 /nfs/dbraw/zinc/70/72/21/563707221.db2.gz JKUANAFYZLLWPK-YVEFUNNKSA-N 1 0 396.329 2.953 20 0 GFADRO Cc1cccc(C(=O)N2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)c1Br ZINC000362724323 563708684 /nfs/dbraw/zinc/70/86/84/563708684.db2.gz KLJCXPCLFLFFKJ-INIZCTEOSA-N 1 0 394.357 2.998 20 0 GFADRO CC(C)([NH2+]C[C@@H]1CCCN(S(C)(=O)=O)C1)c1ccc(Br)cc1 ZINC000438671914 563708700 /nfs/dbraw/zinc/70/87/00/563708700.db2.gz OZWIIJZVPDGLKK-ZDUSSCGKSA-N 1 0 389.359 2.945 20 0 GFADRO COc1cc(Br)ccc1C(=O)N1CCC[N@@H+](C2CCOCC2)CC1 ZINC000362909953 563710362 /nfs/dbraw/zinc/71/03/62/563710362.db2.gz BWVZWXNTYQLMCH-UHFFFAOYSA-N 1 0 397.313 2.785 20 0 GFADRO CN1C(=O)N[C@]2(CCC[C@@H]2C[NH2+]Cc2cnc(-c3cccs3)s2)C1=O ZINC000362840731 563710450 /nfs/dbraw/zinc/71/04/50/563710450.db2.gz QVCWIGOLEOJABE-DIFFPNOSSA-N 1 0 376.507 2.682 20 0 GFADRO Brc1ccc(-c2c[nH]c(CNC[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)n2)cc1 ZINC000363001518 563711647 /nfs/dbraw/zinc/71/16/47/563711647.db2.gz UBVNJRWWTMAKHT-HZPDHXFCSA-N 1 0 391.313 2.792 20 0 GFADRO COC(=O)c1ccc(C[N@@H+]2CC[C@@H](C(=O)N3CCCC3)C2)c(Br)c1 ZINC000290492803 563712150 /nfs/dbraw/zinc/71/21/50/563712150.db2.gz ORMIBTXFJQKMCQ-OAHLLOKOSA-N 1 0 395.297 2.680 20 0 GFADRO C[C@@H]1C[N@@H+](C2CCN(CC(=O)N(C)Cc3ccc(Cl)s3)CC2)CCO1 ZINC000363040563 563712677 /nfs/dbraw/zinc/71/26/77/563712677.db2.gz XSLGJWMWZOOBPJ-CQSZACIVSA-N 1 0 385.961 2.545 20 0 GFADRO CS[C@H]1CN(C(=O)c2cc(Cl)ncc2Br)C[C@H]1[NH+](C)C ZINC000291528333 563746474 /nfs/dbraw/zinc/74/64/74/563746474.db2.gz VTVVKOSRUNPMOJ-MNOVXSKESA-N 1 0 378.723 2.615 20 0 GFADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]Cc1ccc2c(c1)OCCCO2 ZINC000414075131 563717978 /nfs/dbraw/zinc/71/79/78/563717978.db2.gz NMMUSEILKLSDBA-CYBMUJFWSA-N 1 0 393.281 2.950 20 0 GFADRO O=C(c1coc(-c2ccc(Br)cc2F)n1)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000290687883 563718526 /nfs/dbraw/zinc/71/85/26/563718526.db2.gz UMONPODAKPGZNM-WDEREUQCSA-N 1 0 394.244 2.925 20 0 GFADRO CC[C@H]1C[N@H+](C)CCCN1S(=O)(=O)N(C)Cc1c(F)cccc1Cl ZINC000439213061 563719516 /nfs/dbraw/zinc/71/95/16/563719516.db2.gz HOPNLCDVNDCWIQ-ZDUSSCGKSA-N 1 0 377.913 2.572 20 0 GFADRO CN(CC[NH+]1CCCC1)C(=O)C(=O)Nc1cc(Cl)cc(C(F)(F)F)c1 ZINC000439211041 563719946 /nfs/dbraw/zinc/71/99/46/563719946.db2.gz HBMBALCJQOHWAG-UHFFFAOYSA-N 1 0 377.794 2.852 20 0 GFADRO Cc1ccc(C[C@H](CO)[NH2+][C@@H](C)Cn2cc(Br)ccc2=O)cc1C ZINC000414152017 563720908 /nfs/dbraw/zinc/72/09/08/563720908.db2.gz QHCQGPJVFRDKRY-MAUKXSAKSA-N 1 0 393.325 2.809 20 0 GFADRO C[NH+]1CCN(C[C@H](O)COc2ccc3ccccc3c2Br)CC1 ZINC000414165051 563720991 /nfs/dbraw/zinc/72/09/91/563720991.db2.gz PAVDEIWGIYELIC-HNNXBMFYSA-N 1 0 379.298 2.589 20 0 GFADRO CC(C)c1nnc(CC[NH2+][C@@H](C)Cn2cc(Br)ccc2=O)s1 ZINC000414142686 563721145 /nfs/dbraw/zinc/72/11/45/563721145.db2.gz MXVVKBFAVFCTCY-NSHDSACASA-N 1 0 385.331 2.807 20 0 GFADRO Cc1ccc(Br)c(S(=O)(=O)NCC[NH2+][C@H](C)[C@H]2C[C@@H]2C)c1 ZINC000414169603 563721924 /nfs/dbraw/zinc/72/19/24/563721924.db2.gz VPBGXLZMRDDZKJ-XQQFMLRXSA-N 1 0 375.332 2.670 20 0 GFADRO C[C@H]([NH2+]CC1(N2CCOCC2)CCOCC1)c1cccc(Br)c1 ZINC000414200567 563722721 /nfs/dbraw/zinc/72/27/21/563722721.db2.gz ZYROIPGSPXRZBJ-HNNXBMFYSA-N 1 0 383.330 2.981 20 0 GFADRO Cn1cc(Cl)cc1C(=O)N1CCC[N@H+](CCCOCC(F)(F)F)CC1 ZINC000363456318 563723727 /nfs/dbraw/zinc/72/37/27/563723727.db2.gz BNUGVMGVWGBAKI-UHFFFAOYSA-N 1 0 381.826 2.795 20 0 GFADRO COc1ccccc1[C@H](C)[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000414267383 563724097 /nfs/dbraw/zinc/72/40/97/563724097.db2.gz SAULVYMGKFUQEM-NSHDSACASA-N 1 0 399.310 2.956 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+]C[C@@H]2CCN(c3ccccc3)C2)cc1Cl ZINC000414265586 563724151 /nfs/dbraw/zinc/72/41/51/563724151.db2.gz HBIAQPCVFGSBNB-HNNXBMFYSA-N 1 0 379.913 2.604 20 0 GFADRO C[C@@H]1C[C@@H]([N@H+](C)C[C@@H](O)COc2cc(F)cc(Br)c2)CCN1C ZINC000439438592 563724877 /nfs/dbraw/zinc/72/48/77/563724877.db2.gz KNCBMCXFJBNYQJ-UHOFOFEASA-N 1 0 389.309 2.742 20 0 GFADRO CC[C@@]1(CO)CCC[N@H+](C[C@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000439437970 563724901 /nfs/dbraw/zinc/72/49/01/563724901.db2.gz CCBWHDDNSYMMAU-DOTOQJQBSA-N 1 0 390.293 2.812 20 0 GFADRO C[C@@H]1[C@H](N2CCOCC2)CCN1C(=O)c1c[nH]c2cccc(Br)c12 ZINC000290887900 563725022 /nfs/dbraw/zinc/72/50/22/563725022.db2.gz JZKWKXGZTXOEIE-MLGOLLRUSA-N 1 0 392.297 2.866 20 0 GFADRO CC(C)(C)[C@H](CCO)[NH2+]C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000439447810 563725230 /nfs/dbraw/zinc/72/52/30/563725230.db2.gz YIJCZTRLIUBTNO-ZFWWWQNUSA-N 1 0 378.282 2.715 20 0 GFADRO CC[C@H]([NH2+]C[C@H](O)COc1cc(F)cc(Br)c1)[C@H]1CCCO1 ZINC000439454378 563725235 /nfs/dbraw/zinc/72/52/35/563725235.db2.gz NGTUIJNAHHSXSQ-CWRNSKLLSA-N 1 0 376.266 2.875 20 0 GFADRO Cc1c([C@@H](C)[NH2+]C[C@H](O)COc2cc(F)cc(Br)c2)cnn1C ZINC000439454503 563725487 /nfs/dbraw/zinc/72/54/87/563725487.db2.gz RRHXRHCONJDAIE-YGRLFVJLSA-N 1 0 386.265 2.721 20 0 GFADRO COc1ccccc1C1(C[NH2+]Cc2ccc(S(N)(=O)=O)c(Cl)c2)CC1 ZINC000414317579 563726142 /nfs/dbraw/zinc/72/61/42/563726142.db2.gz KCSIYTNCUHQUQI-UHFFFAOYSA-N 1 0 380.897 2.817 20 0 GFADRO O=C(CC[N@@H+]1CCS[C@@H](c2ccccc2)C1)NC(=O)NCC(F)(F)F ZINC000363609705 563727677 /nfs/dbraw/zinc/72/76/77/563727677.db2.gz YXNBTLQSLQHNCU-CYBMUJFWSA-N 1 0 375.416 2.555 20 0 GFADRO CN(C)C(=O)CCC[NH2+]Cc1c(Br)cncc1Br ZINC000290976158 563728669 /nfs/dbraw/zinc/72/86/69/563728669.db2.gz XZTQYUHGJYWFIC-UHFFFAOYSA-N 1 0 379.096 2.565 20 0 GFADRO CC[C@H]1CCC[N@@H+](C(C)(C)CNCc2ccc(S(N)(=O)=O)c(Cl)c2)C1 ZINC000414354433 563729064 /nfs/dbraw/zinc/72/90/64/563729064.db2.gz XJEPHMVIAYBFRI-AWEZNQCLSA-N 1 0 387.977 2.978 20 0 GFADRO CN1CC[C@@H]([NH2+]Cc2ccc(S(N)(=O)=O)c(Cl)c2)[C@H]1c1ccccc1 ZINC000414361842 563729135 /nfs/dbraw/zinc/72/91/35/563729135.db2.gz DBXYXEZFRDUYKM-SJLPKXTDSA-N 1 0 379.913 2.522 20 0 GFADRO CCSCC[C@@H](C)[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000414358021 563729248 /nfs/dbraw/zinc/72/92/48/563729248.db2.gz AZCZYEOGJVPDKK-SNVBAGLBSA-N 1 0 381.361 2.718 20 0 GFADRO O=C(c1cc(Br)c2c(c1)OCCO2)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000363687557 563730741 /nfs/dbraw/zinc/73/07/41/563730741.db2.gz ASZSBCWEMDHDTE-CYBMUJFWSA-N 1 0 381.270 2.531 20 0 GFADRO COCC[NH+]1CCC(NC(=O)N(C)CCc2cccc(Br)c2)CC1 ZINC000291128013 563732051 /nfs/dbraw/zinc/73/20/51/563732051.db2.gz BNEPNVQRIGYHAP-UHFFFAOYSA-N 1 0 398.345 2.744 20 0 GFADRO C[C@H](Cn1cc(Br)cn1)[NH2+]C[C@H]1CCCN(Cc2cccnc2)C1 ZINC000363783255 563733067 /nfs/dbraw/zinc/73/30/67/563733067.db2.gz JUQKDWNQSIPUGS-NVXWUHKLSA-N 1 0 392.345 2.931 20 0 GFADRO COc1nc(C)c(Br)cc1C(=O)N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000363780841 563733305 /nfs/dbraw/zinc/73/33/05/563733305.db2.gz PFPRPUIXSQPRCD-JGGQBBKZSA-N 1 0 394.313 2.717 20 0 GFADRO CCC(CC)[C@H](CNC(=O)C(=O)Nc1cc(C)cnc1Br)[NH+](C)C ZINC000291199020 563734053 /nfs/dbraw/zinc/73/40/53/563734053.db2.gz AIDYDWMEIBAXER-AWEZNQCLSA-N 1 0 399.333 2.574 20 0 GFADRO CC[NH+](CC)CCNC(=O)C(=O)Nc1cc(F)c(Br)cc1Cl ZINC000440051692 563734458 /nfs/dbraw/zinc/73/44/58/563734458.db2.gz JBAFVGVKQWOVSS-UHFFFAOYSA-N 1 0 394.672 2.638 20 0 GFADRO COC(=O)C[C@@H](NC(=O)[C@@H]1C[NH+]2CCC1CC2)c1ccc(Br)cc1 ZINC000363836702 563734677 /nfs/dbraw/zinc/73/46/77/563734677.db2.gz VMLXJATZVBSERQ-HZPDHXFCSA-N 1 0 395.297 2.511 20 0 GFADRO CCC(CC)[C@H](CNS(=O)(=O)c1ccc(OCC(F)F)cc1)[NH+](C)C ZINC000440072536 563735697 /nfs/dbraw/zinc/73/56/97/563735697.db2.gz CLZPBDDEIQAMQB-INIZCTEOSA-N 1 0 378.485 2.975 20 0 GFADRO Cc1cc(Br)ccc1C(=O)N1CCC([NH2+][C@@H]2C=C[C@H](CO)C2)CC1 ZINC000363906572 563736015 /nfs/dbraw/zinc/73/60/15/563736015.db2.gz IAYLHONGDYORFL-WMLDXEAASA-N 1 0 393.325 2.889 20 0 GFADRO O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1cc(Br)c2c(c1)OCCO2 ZINC000364044711 563740751 /nfs/dbraw/zinc/74/07/51/563740751.db2.gz YRTCTBFSGCKWKZ-STQMWFEESA-N 1 0 381.270 2.577 20 0 GFADRO O=C(CN1CCC[C@H]1C[N@H+]1CCC[C@@H]1CO)Nc1ccc(Cl)cc1Cl ZINC000364052059 563741384 /nfs/dbraw/zinc/74/13/84/563741384.db2.gz CYSYUFZUEYRROS-LSDHHAIUSA-N 1 0 386.323 2.853 20 0 GFADRO CCc1ncc(C[NH2+]C[C@@H](CO)Cc2cc(F)cc(Br)c2)cn1 ZINC000414465110 563741654 /nfs/dbraw/zinc/74/16/54/563741654.db2.gz RAHIZPJZVOYIEF-ZDUSSCGKSA-N 1 0 382.277 2.881 20 0 GFADRO COc1cc(S(=O)(=O)NCc2ccc([C@@H](C)[NH3+])cc2)ccc1Br ZINC000440424833 563742242 /nfs/dbraw/zinc/74/22/42/563742242.db2.gz ZABYZCRJRDXZAG-LLVKDONJSA-N 1 0 399.310 2.956 20 0 GFADRO C[C@@H]([NH3+])C1CCN(C(=O)[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)CC1 ZINC000364118897 563743932 /nfs/dbraw/zinc/74/39/32/563743932.db2.gz IDRIPKSEEKGTQW-BXUZGUMPSA-N 1 0 384.307 2.932 20 0 GFADRO COC(=O)[C@H]1CN(Cc2ccnc3c(Br)cccc23)CC[N@H+](C)C1 ZINC000414494145 563744340 /nfs/dbraw/zinc/74/43/40/563744340.db2.gz UWGXKHDYRFVYHZ-CQSZACIVSA-N 1 0 392.297 2.534 20 0 GFADRO COC[C@](C)(CC(=O)OC)[NH2+]CC(=O)N(C)Cc1ccc(Cl)c(Cl)c1 ZINC000440556439 563744680 /nfs/dbraw/zinc/74/46/80/563744680.db2.gz LXPBUWMTEJNNGH-KRWDZBQOSA-N 1 0 391.295 2.510 20 0 GFADRO NC(=O)c1cn(CCCC[NH2+]Cc2cc(C(F)(F)F)ccc2Cl)nn1 ZINC000414563156 563746968 /nfs/dbraw/zinc/74/69/68/563746968.db2.gz BPHATKQRLWZVMB-UHFFFAOYSA-N 1 0 375.782 2.619 20 0 GFADRO [NH3+][C@@H]1CCC[C@@]12CCN(C(=O)c1cnn(-c3ccc(Br)cc3)c1)C2 ZINC000364257370 563747444 /nfs/dbraw/zinc/74/74/44/563747444.db2.gz MRGRLJQAJWQKKO-AEFFLSMTSA-N 1 0 389.297 2.978 20 0 GFADRO Cc1csc(C(=O)N2CC[C@H]3CC[N@@H+](C)[C@H]3C2)c1I ZINC000364310866 563748970 /nfs/dbraw/zinc/74/89/70/563748970.db2.gz UOIQGSLMDQMJBM-MNOVXSKESA-N 1 0 390.290 2.827 20 0 GFADRO CC(C)[C@H]([NH3+])CNS(=O)(=O)c1cc(C(F)(F)F)ccc1Br ZINC000440737868 563748961 /nfs/dbraw/zinc/74/89/61/563748961.db2.gz SRJDCNSWPDSPCI-SNVBAGLBSA-N 1 0 389.237 2.730 20 0 GFADRO COCCCOc1ccc(Cl)cc1S(=O)(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000440737499 563749047 /nfs/dbraw/zinc/74/90/47/563749047.db2.gz RXWSVNARIZJTBE-UKRRQHHQSA-N 1 0 390.933 2.551 20 0 GFADRO COC(=O)c1cc(Br)cc(C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)c1 ZINC000291602961 563749355 /nfs/dbraw/zinc/74/93/55/563749355.db2.gz CTHDLFBEZRMHLM-INIZCTEOSA-N 1 0 395.297 2.936 20 0 GFADRO O=S(=O)(c1ccc(Cl)c(Br)c1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000440751590 563749458 /nfs/dbraw/zinc/74/94/58/563749458.db2.gz VVLUWSPDEQAFKL-JTQLQIEISA-N 1 0 379.707 2.618 20 0 GFADRO O=C(Nc1ccc(Br)cc1Br)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000414692920 563749922 /nfs/dbraw/zinc/74/99/22/563749922.db2.gz MGWAZOWQNXLXDD-VROVMSAKSA-N 1 0 375.064 2.551 20 0 GFADRO [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)Nc1ccc(I)cc1 ZINC000414682469 563749927 /nfs/dbraw/zinc/74/99/27/563749927.db2.gz RGSVRRFMWXAABY-CNGMEFBOSA-N 1 0 385.249 2.929 20 0 GFADRO O=C(Nc1ccc(I)cc1)N1CCC2(C1)CC[NH2+]CC2 ZINC000414685131 563749966 /nfs/dbraw/zinc/74/99/66/563749966.db2.gz YBSUZFPIHSUFCV-UHFFFAOYSA-N 1 0 385.249 2.899 20 0 GFADRO CCN(CC)S(=O)(=O)c1cc(NC(=O)N[C@@H](C)CCC[NH3+])ccc1Cl ZINC000414717790 563751097 /nfs/dbraw/zinc/75/10/97/563751097.db2.gz QHMVKSIVAABSBI-LBPRGKRZSA-N 1 0 390.937 2.619 20 0 GFADRO O=S(=O)(Cc1ccc(Br)cc1)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000440836061 563751171 /nfs/dbraw/zinc/75/11/71/563751171.db2.gz SPFHVJDHCWSFPR-INIZCTEOSA-N 1 0 387.343 2.743 20 0 GFADRO C[S@](=O)C1(C[NH2+]Cc2c(Br)cncc2Br)CCC1 ZINC000291637688 563751759 /nfs/dbraw/zinc/75/17/59/563751759.db2.gz SXKPXZZCIJWIEX-SFHVURJKSA-N 1 0 396.148 2.997 20 0 GFADRO CC(C)C[C@H]([NH3+])CN1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000414746133 563751819 /nfs/dbraw/zinc/75/18/19/563751819.db2.gz LSLHVFVNLNXVKU-HIFRSBDPSA-N 1 0 383.334 2.868 20 0 GFADRO O=S(=O)(c1ccc(F)c(C(F)(F)F)c1)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000440856594 563752440 /nfs/dbraw/zinc/75/24/40/563752440.db2.gz HUPMWZWIIRUMQK-HNNXBMFYSA-N 1 0 380.407 2.997 20 0 GFADRO CCOc1c(Br)cc(Cl)cc1NC(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000414766591 563752673 /nfs/dbraw/zinc/75/26/73/563752673.db2.gz DYSJCGWFPHEHFK-JTQLQIEISA-N 1 0 392.681 2.693 20 0 GFADRO COc1ccc(Br)c(CNC(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)c1 ZINC000440913378 563753224 /nfs/dbraw/zinc/75/32/24/563753224.db2.gz XZQGDVWLVAMHTJ-WCQYABFASA-N 1 0 382.302 2.882 20 0 GFADRO O=C(C[C@H]1CCC[NH2+]CC1)NC[C@H](O)COc1cccc(Cl)c1Cl ZINC000364488636 563754620 /nfs/dbraw/zinc/75/46/20/563754620.db2.gz ONHKNFGUKWOXAI-STQMWFEESA-N 1 0 375.296 2.629 20 0 GFADRO C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+]1CC[C@@H](n2cccn2)C1 ZINC000291724380 563755666 /nfs/dbraw/zinc/75/56/66/563755666.db2.gz JFSSNTUSFQREJV-WMLDXEAASA-N 1 0 391.313 2.940 20 0 GFADRO CCOCCOc1ccc(Br)cc1CN1CC[C@@H](n2cncn2)C1 ZINC000364530714 563756078 /nfs/dbraw/zinc/75/60/78/563756078.db2.gz SJSFAMWHIGHNFM-MRXNPFEDSA-N 1 0 395.301 2.903 20 0 GFADRO O=C(CC[N@@H+]1CCC(F)(F)[C@H](CO)C1)Nc1ccc(Br)cc1F ZINC000291743577 563756659 /nfs/dbraw/zinc/75/66/59/563756659.db2.gz KDCSSNXWYYJRSM-JTQLQIEISA-N 1 0 395.219 2.866 20 0 GFADRO CO[C@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1cccc(I)c1 ZINC000441275362 563757016 /nfs/dbraw/zinc/75/70/16/563757016.db2.gz HGDFZCVSFQLGKP-KBPBESRZSA-N 1 0 388.249 2.777 20 0 GFADRO C[NH2+]C[C@H]1CCCN1C(=O)Nc1cc(OC)ccc1I ZINC000415068396 563757811 /nfs/dbraw/zinc/75/78/11/563757811.db2.gz DSTJJNWNCPKPIF-SNVBAGLBSA-N 1 0 389.237 2.516 20 0 GFADRO CCCOc1c(Br)cc(C[NH2+]C[C@@H]2CNCCO2)cc1OCC ZINC000415098621 563759043 /nfs/dbraw/zinc/75/90/43/563759043.db2.gz WHZVCKLJTNRELC-AWEZNQCLSA-N 1 0 387.318 2.715 20 0 GFADRO COC1(C[NH2+]CCNS(=O)(=O)c2ccc(Cl)cc2F)CCCCC1 ZINC000441366119 563759306 /nfs/dbraw/zinc/75/93/06/563759306.db2.gz CWRBCMIXJALGCM-UHFFFAOYSA-N 1 0 378.897 2.696 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)c(C)c1CN1CCCO[C@@H](C[NH3+])C1 ZINC000415109660 563759736 /nfs/dbraw/zinc/75/97/36/563759736.db2.gz NUBNETIVQYKCKT-KRWDZBQOSA-N 1 0 393.329 2.801 20 0 GFADRO O=C(Nc1cc(Cl)ccc1N1CCSCC1)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000415125687 563760077 /nfs/dbraw/zinc/76/00/77/563760077.db2.gz SPHKGZCXMLBKLF-ZIAGYGMSSA-N 1 0 380.945 2.966 20 0 GFADRO CCOc1ccc(Br)cc1NC(=O)N1CC[C@@H](OC)C[C@@H]1C[NH3+] ZINC000415126627 563760530 /nfs/dbraw/zinc/76/05/30/563760530.db2.gz PVYPRJWWHURVEJ-CHWSQXEVSA-N 1 0 386.290 2.818 20 0 GFADRO CN1CCC[C@@]2(CC[N@H+](Cc3cc(Br)c4c(c3)OCCO4)C2)C1=O ZINC000364665079 563761174 /nfs/dbraw/zinc/76/11/74/563761174.db2.gz XBAFMDYJRQQXDV-SFHVURJKSA-N 1 0 395.297 2.665 20 0 GFADRO CC(C)(C[NH3+])NC(=O)Nc1cc(Br)cnc1OCC(F)(F)F ZINC000415179003 563761708 /nfs/dbraw/zinc/76/17/08/563761708.db2.gz TYOQEFGVTKTTDY-UHFFFAOYSA-N 1 0 385.184 2.644 20 0 GFADRO CC(C)N(Cc1ccc(Br)cc1)C(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC000364707163 563761920 /nfs/dbraw/zinc/76/19/20/563761920.db2.gz ILQMDLWSSDIYMK-UHFFFAOYSA-N 1 0 377.286 2.869 20 0 GFADRO C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)Nc1c(F)cc(Br)cc1F ZINC000415205762 563762573 /nfs/dbraw/zinc/76/25/73/563762573.db2.gz BDIDMQMNIMVUCC-CPCISQLKSA-N 1 0 378.217 2.962 20 0 GFADRO C[C@H](C[NH3+])CNC(=O)c1cnn(-c2ncc(Cl)cc2Cl)c1C(F)(F)F ZINC000441621772 563762998 /nfs/dbraw/zinc/76/29/98/563762998.db2.gz COWWIJRWKBOKRW-SSDOTTSWSA-N 1 0 396.200 2.918 20 0 GFADRO COC(=O)c1ccc(S(=O)(=O)NCCC[N@@H+]2CCCC[C@@H]2C)cc1Cl ZINC000441628581 563763049 /nfs/dbraw/zinc/76/30/49/563763049.db2.gz RVGBJROXIODFGR-ZDUSSCGKSA-N 1 0 388.917 2.669 20 0 GFADRO C[C@H]([NH3+])[C@H](C)NC(=O)Nc1ccc(CCn2cc(Br)cn2)cc1 ZINC000415219615 563763224 /nfs/dbraw/zinc/76/32/24/563763224.db2.gz YFFXGTOWHLDCFF-RYUDHWBXSA-N 1 0 380.290 2.746 20 0 GFADRO CC[N@@H+]1CCC[C@@H](CN(C)S(=O)(=O)c2cccs2)[C@@H]1c1cnn(C)c1 ZINC000364762221 563763261 /nfs/dbraw/zinc/76/32/61/563763261.db2.gz YOSXYRYCACZFSS-WMLDXEAASA-N 1 0 382.555 2.575 20 0 GFADRO COc1cc(NC(=O)N2CCC(OCCC[NH3+])CC2)ccc1Br ZINC000415261370 563764711 /nfs/dbraw/zinc/76/47/11/563764711.db2.gz HDQLNWSOPKWSFU-UHFFFAOYSA-N 1 0 386.290 2.819 20 0 GFADRO O=C(Nc1cc(Cl)ccc1SCC(F)(F)F)C(=O)NC1CC[NH2+]CC1 ZINC000415267646 563764770 /nfs/dbraw/zinc/76/47/70/563764770.db2.gz JEGRPEGGVJFCCQ-UHFFFAOYSA-N 1 0 395.834 2.801 20 0 GFADRO Cc1ccc(SCC(F)(F)F)c(NC(=O)C(=O)N2CCC([NH3+])CC2)c1 ZINC000415289083 563765322 /nfs/dbraw/zinc/76/53/22/563765322.db2.gz ZRYXUJDFSVHNPK-UHFFFAOYSA-N 1 0 375.416 2.538 20 0 GFADRO C[NH2+][C@H]1CCN(C(=O)Nc2ccc(Cl)cc2I)C1 ZINC000415279877 563765575 /nfs/dbraw/zinc/76/55/75/563765575.db2.gz FGEIKKQGEPBCKA-VIFPVBQESA-N 1 0 379.629 2.770 20 0 GFADRO C[NH2+][C@@H]1CCN(C(=O)Nc2cccc(Oc3ncc(Br)cn3)c2)C1 ZINC000415303259 563766218 /nfs/dbraw/zinc/76/62/18/563766218.db2.gz NYQURBIYUDZPJX-CYBMUJFWSA-N 1 0 392.257 2.857 20 0 GFADRO CCOC(=O)c1c(NC(=O)N[C@H]2CC[NH2+][C@@H](C)C2)sc2c1CCSC2 ZINC000415335308 563767564 /nfs/dbraw/zinc/76/75/64/563767564.db2.gz LHAQADXGMCCFNU-QWRGUYRKSA-N 1 0 383.539 2.976 20 0 GFADRO CN(Cc1ccccc1Br)C(=O)C[N@@H+]1CC[C@H](n2cccn2)C1 ZINC000291994429 563768257 /nfs/dbraw/zinc/76/82/57/563768257.db2.gz XAEQGINDFSNEKA-HNNXBMFYSA-N 1 0 377.286 2.551 20 0 GFADRO CCOC(=O)c1cc(Br)ccc1NC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000415346593 563768712 /nfs/dbraw/zinc/76/87/12/563768712.db2.gz HOBHHNOFQWVVAS-CYBMUJFWSA-N 1 0 396.285 2.984 20 0 GFADRO CCOC(=O)c1cc(Br)ccc1NC(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000415346616 563768785 /nfs/dbraw/zinc/76/87/85/563768785.db2.gz HPZTZJYSXDIYHK-ZYHUDNBSSA-N 1 0 384.274 2.888 20 0 GFADRO C[C@@H](NC(=O)C(=O)Nc1cc(Cl)cc(Br)c1)[C@H]1CCC[NH2+]C1 ZINC000415345002 563768879 /nfs/dbraw/zinc/76/88/79/563768879.db2.gz FKHJCRVPJJBCAO-ZJUUUORDSA-N 1 0 388.693 2.545 20 0 GFADRO C[C@@H](CO)[N@@H+]1CCCN(CC(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)CC1 ZINC000364954736 563769763 /nfs/dbraw/zinc/76/97/63/563769763.db2.gz LWKOGHPNWHHGJR-KBPBESRZSA-N 1 0 388.339 2.559 20 0 GFADRO [NH3+]C1CCC(NC(=O)C(=O)Nc2ccc(-c3ccc(Cl)s3)nc2)CC1 ZINC000415356756 563770021 /nfs/dbraw/zinc/77/00/21/563770021.db2.gz PDPCBPZAUUKOCN-UHFFFAOYSA-N 1 0 378.885 2.788 20 0 GFADRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)Nc1cnn(-c2ccccc2Br)c1 ZINC000415354596 563770185 /nfs/dbraw/zinc/77/01/85/563770185.db2.gz NQONLZUTHJPORY-NWDGAFQWSA-N 1 0 378.274 2.836 20 0 GFADRO Cc1nn(C)c(NC(=O)N2CC[C@@H](C[NH3+])C2)c1-c1ccc(Br)cc1 ZINC000415360445 563770490 /nfs/dbraw/zinc/77/04/90/563770490.db2.gz MDJPCZHTQOUIEH-LBPRGKRZSA-N 1 0 392.301 2.971 20 0 GFADRO Cc1ccc(Br)c(NC(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])c1 ZINC000415364037 563770812 /nfs/dbraw/zinc/77/08/12/563770812.db2.gz FYWGYNHPSVMZKM-CYBMUJFWSA-N 1 0 397.317 2.609 20 0 GFADRO C[C@]1(C[NH3+])CCN(C(=O)Nc2cccc(F)c2I)C1 ZINC000415361438 563770818 /nfs/dbraw/zinc/77/08/18/563770818.db2.gz NBTVUGFYLQRTRX-CYBMUJFWSA-N 1 0 377.201 2.633 20 0 GFADRO CC(C)(C)[C@@H](C[NH3+])NC(=O)Nc1cccc(F)c1I ZINC000415364852 563771244 /nfs/dbraw/zinc/77/12/44/563771244.db2.gz SWZLCLAPRZNERM-SNVBAGLBSA-N 1 0 379.217 2.925 20 0 GFADRO C[C@H](c1ccccc1)[C@@H]([NH2+]C[C@H](O)c1ccccc1Br)C(N)=O ZINC000292063853 563771904 /nfs/dbraw/zinc/77/19/04/563771904.db2.gz CFQHQHMKJQQPES-OAUYIBNBSA-N 1 0 377.282 2.730 20 0 GFADRO C[C@H]([NH3+])C1CCN(C(=O)C(=O)Nc2cc(Cl)cc(Br)c2)CC1 ZINC000415392749 563772729 /nfs/dbraw/zinc/77/27/29/563772729.db2.gz YHWMJELBDPFJLQ-VIFPVBQESA-N 1 0 388.693 2.627 20 0 GFADRO CCCN(C(=O)C(=O)Nc1ccc(Cl)c(Br)c1)[C@H]1CC[NH2+]C1 ZINC000415402609 563773000 /nfs/dbraw/zinc/77/30/00/563773000.db2.gz KNRXOXLERXNZIN-NSHDSACASA-N 1 0 388.693 2.642 20 0 GFADRO COC(=O)c1cc(NC(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)ccc1Br ZINC000415408542 563773022 /nfs/dbraw/zinc/77/30/22/563773022.db2.gz QZAAZQMMVTUKCP-GRYCIOLGSA-N 1 0 396.285 2.745 20 0 GFADRO COCCOc1c(Cl)cc(NC(=O)N2CCCO[C@H](C[NH3+])C2)cc1Cl ZINC000415404593 563773049 /nfs/dbraw/zinc/77/30/49/563773049.db2.gz LSPFGRNEIMTANT-GFCCVEGCSA-N 1 0 392.283 2.600 20 0 GFADRO COC(=O)c1cc(NC(=O)N2CC[C@H](C)C[C@@H]2C[NH3+])ccc1Br ZINC000415402179 563773270 /nfs/dbraw/zinc/77/32/70/563773270.db2.gz ILQGNJFSUGSDNJ-CMPLNLGQSA-N 1 0 384.274 2.827 20 0 GFADRO Cc1cc(F)c(NC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)c(I)c1 ZINC000415412432 563773632 /nfs/dbraw/zinc/77/36/32/563773632.db2.gz YBFQAGMCKOJOBZ-SKDRFNHKSA-N 1 0 389.212 2.564 20 0 GFADRO O=C(NCC[C@H]1CCC[NH2+]C1)C(=O)Nc1ccc(Cl)c(Br)c1 ZINC000415410798 563773656 /nfs/dbraw/zinc/77/36/56/563773656.db2.gz KTRJXVBORCHTLV-SNVBAGLBSA-N 1 0 388.693 2.547 20 0 GFADRO C[NH2+][C@@H]1CCCN(C(=O)Nc2cc(Br)ccc2OCCOC)C1 ZINC000415422863 563774112 /nfs/dbraw/zinc/77/41/12/563774112.db2.gz FLORBWMHBPMFCI-CYBMUJFWSA-N 1 0 386.290 2.690 20 0 GFADRO CCN(CC)S(=O)(=O)c1cc(C(=O)N[C@@H](C)CCCC[NH3+])ccc1Cl ZINC000292115997 563774550 /nfs/dbraw/zinc/77/45/50/563774550.db2.gz PXOFFWQOIPGQCS-ZDUSSCGKSA-N 1 0 389.949 2.618 20 0 GFADRO [NH3+]C[C@H](NC(=O)C(=O)Nc1cc(Br)ccc1F)C1CCCCC1 ZINC000415429936 563774864 /nfs/dbraw/zinc/77/48/64/563774864.db2.gz SCIXAWZZHHYKMI-AWEZNQCLSA-N 1 0 386.265 2.551 20 0 GFADRO COC(=O)c1ccnc(N2CCC([NH2+]Cc3ccc(Br)o3)CC2)c1 ZINC000365133247 563775444 /nfs/dbraw/zinc/77/54/44/563775444.db2.gz LWAREHDNPOVYMX-UHFFFAOYSA-N 1 0 394.269 2.982 20 0 GFADRO CN(C)c1ccc(S(=O)(=O)NC2CCN(Cc3ccsc3)CC2)cc1 ZINC000365148548 563775659 /nfs/dbraw/zinc/77/56/59/563775659.db2.gz DXINKAVQMOAQSP-UHFFFAOYSA-N 1 0 379.551 2.757 20 0 GFADRO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(Br)c(Cl)c2Cl)CC[NH2+]1 ZINC000415432972 563775732 /nfs/dbraw/zinc/77/57/32/563775732.db2.gz LYEOALKMWDLTDS-SSDOTTSWSA-N 1 0 395.084 2.515 20 0 GFADRO CC(C)[C@H]([NH3+])CNC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1Br ZINC000415434809 563775812 /nfs/dbraw/zinc/77/58/12/563775812.db2.gz ICZCCAKHIFZFIZ-SNVBAGLBSA-N 1 0 396.207 2.506 20 0 GFADRO CC(C)[C@@H](CNC(=O)[C@H](C)c1cccc(Br)c1)[NH+]1CCN(C)CC1 ZINC000292144549 563776177 /nfs/dbraw/zinc/77/61/77/563776177.db2.gz OYTJWIHIJSVRJO-CRAIPNDOSA-N 1 0 396.373 2.941 20 0 GFADRO Cc1sc(Br)c(C(=O)NCCC[NH+]2CCC(O)CC2)c1C ZINC000442721114 563776694 /nfs/dbraw/zinc/77/66/94/563776694.db2.gz USJYTPNQMAHBQJ-UHFFFAOYSA-N 1 0 375.332 2.704 20 0 GFADRO CC[C@@H](C)[C@H]([NH3+])C(=O)N1CCC(C(=O)Nc2cccc(Br)c2)CC1 ZINC000442730195 563777399 /nfs/dbraw/zinc/77/73/99/563777399.db2.gz PWHJZEBXUYYZIG-WBMJQRKESA-N 1 0 396.329 3.000 20 0 GFADRO Cc1cc(Br)c(F)cc1NC(=O)C(=O)N(C)CC[C@H]([NH3+])C(C)C ZINC000415483001 563778445 /nfs/dbraw/zinc/77/84/45/563778445.db2.gz GBDCWJWGAXXTOR-ZDUSSCGKSA-N 1 0 388.281 2.667 20 0 GFADRO CC1CCC([NH+]2CCC(NC(=O)c3cc(Br)nn3C)CC2)CC1 ZINC000365249065 563778608 /nfs/dbraw/zinc/77/86/08/563778608.db2.gz XUMOUWHYMYPNOC-UHFFFAOYSA-N 1 0 383.334 2.956 20 0 GFADRO CCCC[C@@H](C[NH3+])NC(=O)C(=O)Nc1cc(F)ccc1SCC(F)F ZINC000415491024 563778818 /nfs/dbraw/zinc/77/88/18/563778818.db2.gz CVEKFBCVILJLSI-NSHDSACASA-N 1 0 377.432 2.755 20 0 GFADRO C[N@@H+]1CC[C@H](CNC(=O)Nc2nnc(C(F)(F)F)s2)[C@@H]1c1cccs1 ZINC000365278366 563779212 /nfs/dbraw/zinc/77/92/12/563779212.db2.gz KTHSVTPOODLVAA-PSASIEDQSA-N 1 0 391.444 3.433 20 0 GFADRO CCCC[C@H](C[NH3+])NC(=O)C(=O)Nc1c(C)cc(Br)cc1Cl ZINC000415498874 563779586 /nfs/dbraw/zinc/77/95/86/563779586.db2.gz KEQHWZYACGCQPN-LLVKDONJSA-N 1 0 390.709 2.983 20 0 GFADRO CCCC[C@H](C[NH3+])NC(=O)C(=O)Nc1cc(Cl)cc(Br)c1 ZINC000415506206 563780252 /nfs/dbraw/zinc/78/02/52/563780252.db2.gz ZKQJZBRVOSKWOU-LLVKDONJSA-N 1 0 376.682 2.675 20 0 GFADRO C[NH2+]C[C@@H]1CCCN1C(=O)Nc1ccnn1Cc1ccccc1Br ZINC000415518955 563781014 /nfs/dbraw/zinc/78/10/14/563781014.db2.gz DKHQMILNKQRIDO-AWEZNQCLSA-N 1 0 392.301 2.910 20 0 GFADRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)Nc1cccc(Cl)c1SCC(F)F ZINC000415523545 563781935 /nfs/dbraw/zinc/78/19/35/563781935.db2.gz NJSOBICQYXJLDF-NXEZZACHSA-N 1 0 391.871 2.831 20 0 GFADRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)Nc1ccc(-c2ccc(Cl)s2)nc1 ZINC000415525468 563781970 /nfs/dbraw/zinc/78/19/70/563781970.db2.gz PFOZZCBVYFTLJY-QWRGUYRKSA-N 1 0 378.885 2.598 20 0 GFADRO [NH3+]C[C@@H](NC(=O)Nc1ccnn1Cc1cccc(Br)c1)C1CC1 ZINC000415523903 563782100 /nfs/dbraw/zinc/78/21/00/563782100.db2.gz AXLQXBUEFHXZGN-CQSZACIVSA-N 1 0 378.274 2.553 20 0 GFADRO [NH3+][C@H](CNC(=O)Nc1ccnn1Cc1ccccc1Br)C1CC1 ZINC000415524635 563782117 /nfs/dbraw/zinc/78/21/17/563782117.db2.gz UNGKOHVEYSLDON-CQSZACIVSA-N 1 0 378.274 2.553 20 0 GFADRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)Nc1ccnn1Cc1ccccc1Br ZINC000415523770 563782190 /nfs/dbraw/zinc/78/21/90/563782190.db2.gz QTWNRMZUSXMRRA-QWHCGFSZSA-N 1 0 392.301 2.908 20 0 GFADRO C[C@@H]([NH2+]CCOc1cccc(S(C)(=O)=O)c1)[C@@H]1OCCc2sccc21 ZINC000292320819 563782806 /nfs/dbraw/zinc/78/28/06/563782806.db2.gz FJBNRPSGGIIDNM-ACJLOTCBSA-N 1 0 381.519 2.823 20 0 GFADRO [NH3+]C1(CNC(=O)Nc2ccnn2Cc2ccc(Br)cc2)CCC1 ZINC000415536473 563783616 /nfs/dbraw/zinc/78/36/16/563783616.db2.gz YAJPWFSUGSSWFW-UHFFFAOYSA-N 1 0 378.274 2.697 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000415545910 563783702 /nfs/dbraw/zinc/78/37/02/563783702.db2.gz XCQRVLNXYJZEEC-YIONKMFJSA-N 1 0 394.313 2.691 20 0 GFADRO Cc1csc(Sc2ccc(NC(=O)C(=O)N[C@@H](C)CC[NH3+])c(C)c2)n1 ZINC000415553423 563784499 /nfs/dbraw/zinc/78/44/99/563784499.db2.gz OSZJFFPQAMSNDY-NSHDSACASA-N 1 0 378.523 2.703 20 0 GFADRO Cc1ccc(SCC(F)(F)F)c(NC(=O)C(=O)NCC2([NH3+])CCC2)c1 ZINC000415556026 563784593 /nfs/dbraw/zinc/78/45/93/563784593.db2.gz GGHYNAZFINGQTA-UHFFFAOYSA-N 1 0 375.416 2.586 20 0 GFADRO C[C@@]1(CNC(=O)C(=O)Nc2ccc(Br)c(Cl)c2)CCC[NH2+]C1 ZINC000415576255 563785076 /nfs/dbraw/zinc/78/50/76/563785076.db2.gz VXKJSLCGGJXRKI-OAHLLOKOSA-N 1 0 388.693 2.547 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)NC[C@]2(C)CCC[NH2+]C2)c(Br)c1 ZINC000415572986 563785267 /nfs/dbraw/zinc/78/52/67/563785267.db2.gz BUEADUXUPLBBTO-QGZVFWFLSA-N 1 0 382.302 2.510 20 0 GFADRO Cc1cc(Br)cc(Cl)c1NC(=O)C(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000415571206 563785277 /nfs/dbraw/zinc/78/52/77/563785277.db2.gz RFDLMZWJITVSCX-ZJUUUORDSA-N 1 0 388.693 2.558 20 0 GFADRO C[N@@H+]1CCN(CCNC(=O)c2c[nH]c3ccc(Br)cc23)CC1(C)C ZINC000442965397 563785654 /nfs/dbraw/zinc/78/56/54/563785654.db2.gz MGMBYTSHYPNMLC-UHFFFAOYSA-N 1 0 393.329 2.686 20 0 GFADRO Cc1ccc(N2CCC(NC(=O)c3ccc(Br)cn3)CC2)nc1 ZINC000365536329 563785918 /nfs/dbraw/zinc/78/59/18/563785918.db2.gz LQEJDOYWRMSCPY-UHFFFAOYSA-N 1 0 375.270 2.946 20 0 GFADRO COc1ccc(NC(=O)N[C@H]2CC[C@H](C[NH3+])C2)c(I)c1 ZINC000415602857 563786761 /nfs/dbraw/zinc/78/67/61/563786761.db2.gz YUPKINJRHDJRKN-UWVGGRQHSA-N 1 0 389.237 2.549 20 0 GFADRO COC(=O)c1c(C)c(NC(=O)N[C@](C)(C[NH3+])C2CC2)ccc1Br ZINC000415600350 563787052 /nfs/dbraw/zinc/78/70/52/563787052.db2.gz NVLGDHWQAXQQRQ-MRXNPFEDSA-N 1 0 384.274 2.793 20 0 GFADRO COC(=O)c1c(Br)ccc(NC(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)c1C ZINC000415604227 563787436 /nfs/dbraw/zinc/78/74/36/563787436.db2.gz VHCFDBPZSRTRAH-BXUZGUMPSA-N 1 0 396.285 2.760 20 0 GFADRO O=C(NCC[C@H]1CCC[NH2+]1)C(=O)Nc1ccc(Br)c2ccccc12 ZINC000415617395 563788284 /nfs/dbraw/zinc/78/82/84/563788284.db2.gz BMRSZYUATKFMDJ-GFCCVEGCSA-N 1 0 390.281 2.799 20 0 GFADRO COC(=O)c1cc(F)c(Br)cc1NC(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000415630794 563788632 /nfs/dbraw/zinc/78/86/32/563788632.db2.gz HQMIYZJLSRNOTL-DTWKUNHWSA-N 1 0 388.237 2.766 20 0 GFADRO COC(=O)c1cc(F)c(Br)cc1NC(=O)N1C[C@H](C)[NH2+]C[C@H]1C ZINC000415631671 563788857 /nfs/dbraw/zinc/78/88/57/563788857.db2.gz NHAHLAQWJDXWJG-DTWKUNHWSA-N 1 0 388.237 2.589 20 0 GFADRO O=C(Nc1cc(Cl)cc(C(F)(F)F)c1)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000415637158 563789472 /nfs/dbraw/zinc/78/94/72/563789472.db2.gz ZGHMUPVEDPNAJC-TXEJJXNPSA-N 1 0 375.778 2.650 20 0 GFADRO CC(C)C[C@@](C)(C[NH3+])NC(=O)Nc1ccnn1-c1ccc(Br)cn1 ZINC000415641622 563789919 /nfs/dbraw/zinc/78/99/19/563789919.db2.gz UJLPTESVIFTGCI-INIZCTEOSA-N 1 0 395.305 2.915 20 0 GFADRO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)Nc1ccnn1-c1ccc(Br)cn1 ZINC000415642799 563790016 /nfs/dbraw/zinc/79/00/16/563790016.db2.gz VWCWVRAMWKXUKS-WCQYABFASA-N 1 0 393.289 2.669 20 0 GFADRO Cc1csc(Sc2ccc(NC(=O)C(=O)N[C@@H](C)C[NH3+])cc2Cl)n1 ZINC000415644339 563790216 /nfs/dbraw/zinc/79/02/16/563790216.db2.gz UXZRLBPGCZGRDO-QMMMGPOBSA-N 1 0 384.914 2.658 20 0 GFADRO CS(=O)(=O)c1ccc(-c2nc(CN3CCC[C@H](CC[NH3+])C3)cs2)cc1 ZINC000443067493 563790448 /nfs/dbraw/zinc/79/04/48/563790448.db2.gz GULMIOJZALZYGN-CQSZACIVSA-N 1 0 379.551 2.774 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(Br)c3ccccc23)C1 ZINC000415661107 563790514 /nfs/dbraw/zinc/79/05/14/563790514.db2.gz XAXKGDYJPKQXLN-VXGBXAGGSA-N 1 0 390.281 2.927 20 0 GFADRO C[N@@H+]1CCN(CCNC(=O)c2ccoc2Br)[C@@H](c2ccccc2)C1 ZINC000365677701 563790740 /nfs/dbraw/zinc/79/07/40/563790740.db2.gz YWDOYBMEQRVYET-MRXNPFEDSA-N 1 0 392.297 2.761 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)C(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000415677930 563791321 /nfs/dbraw/zinc/79/13/21/563791321.db2.gz PMQJFNUTEUOELJ-CQSZACIVSA-N 1 0 382.302 2.590 20 0 GFADRO O=C(Nc1cccc(Br)c1Cl)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000415695323 563791507 /nfs/dbraw/zinc/79/15/07/563791507.db2.gz SBFRTADABNPMGV-LLVKDONJSA-N 1 0 387.709 2.614 20 0 GFADRO O=S1(=O)CC[C@H]([NH2+]C2CCN(Cc3csc(C4CCCC4)n3)CC2)C1 ZINC000365781693 563792919 /nfs/dbraw/zinc/79/29/19/563792919.db2.gz RADWIGAUVMLUCX-INIZCTEOSA-N 1 0 383.583 2.542 20 0 GFADRO O[C@@H](COC1CCOCC1)C[N@@H+]1CC[C@@H](Cc2ccc(Br)cc2)C1 ZINC000292695823 563793491 /nfs/dbraw/zinc/79/34/91/563793491.db2.gz NIUFKMUOBXCCNT-FUHWJXTLSA-N 1 0 398.341 2.870 20 0 GFADRO C[C@H](CCCC[NH3+])NC(=O)C(=O)Nc1ccc(Cl)cc1OCC(F)F ZINC000415736308 563793652 /nfs/dbraw/zinc/79/36/52/563793652.db2.gz AOQHIXJGWGWVIR-SNVBAGLBSA-N 1 0 377.819 2.556 20 0 GFADRO O=C(Nc1cc(Cl)ccc1I)NC1CC[NH2+]CC1 ZINC000415751905 563794545 /nfs/dbraw/zinc/79/45/45/563794545.db2.gz CEOWGQDTOQFHRX-UHFFFAOYSA-N 1 0 379.629 2.818 20 0 GFADRO C[C@H](CCC[NH3+])NC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1Br ZINC000415762468 563794988 /nfs/dbraw/zinc/79/49/88/563794988.db2.gz PDJNHTPPPKYNKL-MRVPVSSYSA-N 1 0 396.207 2.650 20 0 GFADRO COc1cc(I)ccc1NC(=O)N1CC[C@H]([C@H](C)[NH3+])C1 ZINC000415771592 563795583 /nfs/dbraw/zinc/79/55/83/563795583.db2.gz IBFLSHSFEXCZNC-UWVGGRQHSA-N 1 0 389.237 2.501 20 0 GFADRO COc1cc(I)ccc1NC(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000415767662 563795632 /nfs/dbraw/zinc/79/56/32/563795632.db2.gz AXYNKZWYANEFSQ-MWLCHTKSSA-N 1 0 389.237 2.549 20 0 GFADRO CC(C)c1cc(Br)ccc1NC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000415766743 563795731 /nfs/dbraw/zinc/79/57/31/563795731.db2.gz SRVCGFQYZMFTSE-OLZOCXBDSA-N 1 0 394.313 2.579 20 0 GFADRO C[C@@H]([NH3+])[C@@H](C)NC(=O)C(=O)Nc1cc(Cl)ccc1SCC(F)(F)F ZINC000415778307 563796311 /nfs/dbraw/zinc/79/63/11/563796311.db2.gz FRTOUWJBYZVPHY-HTQZYQBOSA-N 1 0 383.823 2.785 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H](CNC(=O)C(=O)Nc2cc(Cl)cc(Br)c2)C1 ZINC000415797533 563796921 /nfs/dbraw/zinc/79/69/21/563796921.db2.gz AEGGPYFSLBZMJT-BXKDBHETSA-N 1 0 388.693 2.675 20 0 GFADRO [NH3+][C@H]1CCC[C@H](CNC(=O)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)C1 ZINC000415802710 563796937 /nfs/dbraw/zinc/79/69/37/563796937.db2.gz GIYVRKRZMNZIAE-ONGXEEELSA-N 1 0 377.794 2.931 20 0 GFADRO CCOc1c(Cl)cc(NC(=O)C(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1Cl ZINC000415797600 563797034 /nfs/dbraw/zinc/79/70/34/563797034.db2.gz WIWRHUPRNHTQRA-HZMBPMFUSA-N 1 0 386.279 2.541 20 0 GFADRO CC(C)[NH+]1CCN([C@H]2CCN(C(=O)NCCc3ccc(Cl)s3)C2)CC1 ZINC000366054232 563797475 /nfs/dbraw/zinc/79/74/75/563797475.db2.gz UXXIMAIHKSHNLI-HNNXBMFYSA-N 1 0 384.977 2.754 20 0 GFADRO [NH3+][C@H]1CCC[C@H](CNC(=O)C(=O)Nc2ccc(OC(F)F)c(Cl)c2)C1 ZINC000415806643 563797497 /nfs/dbraw/zinc/79/74/97/563797497.db2.gz KENMRSFLDJRORJ-UWVGGRQHSA-N 1 0 375.803 2.514 20 0 GFADRO C[NH+]1CCC(Oc2ccc(Cl)cc2NC(=O)NCC(F)(F)CN)CC1 ZINC000415811428 563797740 /nfs/dbraw/zinc/79/77/40/563797740.db2.gz XNWOEQKGLYCYFO-UHFFFAOYSA-N 1 0 376.835 2.529 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H](CNC(=O)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000415816768 563798395 /nfs/dbraw/zinc/79/83/95/563798395.db2.gz ULRHCJVBCZVHKZ-NXEZZACHSA-N 1 0 377.794 2.931 20 0 GFADRO O=C1[C@@H](N2CC[NH+]([C@H]3CCSC3)CC2)CCCN1c1ccccc1Cl ZINC000366066281 563798555 /nfs/dbraw/zinc/79/85/55/563798555.db2.gz HLVSPCCKKZGUHZ-YJBOKZPZSA-N 1 0 379.957 2.959 20 0 GFADRO Cc1ccc(Br)c(NC(=O)C(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000415854085 563799612 /nfs/dbraw/zinc/79/96/12/563799612.db2.gz MJXMLWOSXQNSFF-UONOGXRCSA-N 1 0 394.313 2.544 20 0 GFADRO Cc1ccc(Cl)c(S(=O)(=O)NCCCC[N@@H+]2CCC[C@H]2CO)c1Cl ZINC000443304839 563799918 /nfs/dbraw/zinc/79/99/18/563799918.db2.gz JXJZDAKCSHFKSE-ZDUSSCGKSA-N 1 0 395.352 2.817 20 0 GFADRO O=C(Nc1cccc(Cl)c1SCC(F)F)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000415872643 563800246 /nfs/dbraw/zinc/80/02/46/563800246.db2.gz SRRSBXUYBXUMKA-JTQLQIEISA-N 1 0 391.871 2.894 20 0 GFADRO O=C(Cc1cccc(I)c1)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000366178477 563800606 /nfs/dbraw/zinc/80/06/06/563800606.db2.gz LKZRSSQNGZOPEO-OAHLLOKOSA-N 1 0 384.261 2.530 20 0 GFADRO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]C[C@H]1CN2CCC[C@@H]2CO1 ZINC000366220279 563801807 /nfs/dbraw/zinc/80/18/07/563801807.db2.gz UJTCHIRNSGUNLK-XYPHTWIQSA-N 1 0 396.329 2.619 20 0 GFADRO [NH3+]CC[C@@H](NC(=O)N1CCO[C@H](c2ccc(F)c(Cl)c2)C1)C(F)(F)F ZINC000416003024 563801940 /nfs/dbraw/zinc/80/19/40/563801940.db2.gz GFHQBGWIWDPQAM-QWHCGFSZSA-N 1 0 383.773 2.842 20 0 GFADRO COc1ccc(Br)c(CNC(=O)N(C)[C@H]2CC[N@H+](C)C[C@H]2C)c1 ZINC000443624404 563808689 /nfs/dbraw/zinc/80/86/89/563808689.db2.gz DWXUSIAAFRQEQL-WBMJQRKESA-N 1 0 384.318 2.939 20 0 GFADRO C[C@H]([NH2+][C@H]1CCc2nccn2C1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000366462410 563809199 /nfs/dbraw/zinc/80/91/99/563809199.db2.gz DRHVWAIPTFEDNI-UWVGGRQHSA-N 1 0 389.308 2.503 20 0 GFADRO Cn1cc(Br)cc(NC(=O)C[C@@H](c2ccccc2)[NH+](C)C)c1=O ZINC000416193999 563809240 /nfs/dbraw/zinc/80/92/40/563809240.db2.gz QXTAHLZJLWXELC-HNNXBMFYSA-N 1 0 378.270 2.779 20 0 GFADRO O=C(Cc1ccc(Br)c(F)c1)N1CC[C@H](OCC[NH+]2CCCC2)C1 ZINC000443807701 563812376 /nfs/dbraw/zinc/81/23/76/563812376.db2.gz PWHBDGVSIJSOTH-HNNXBMFYSA-N 1 0 399.304 2.844 20 0 GFADRO CSCc1cnc(C[NH2+][C@H](C)CN2CCN(c3ccccn3)CC2)s1 ZINC000293457871 563813463 /nfs/dbraw/zinc/81/34/63/563813463.db2.gz CYEMOLKPQONANM-OAHLLOKOSA-N 1 0 377.583 2.701 20 0 GFADRO C[N@H+]1CC=C(CNC(=O)c2ccn(-c3ccc(Br)cc3)n2)CC1 ZINC000293480198 563814246 /nfs/dbraw/zinc/81/42/46/563814246.db2.gz NAESUMWSFSRBFG-UHFFFAOYSA-N 1 0 375.270 2.627 20 0 GFADRO C[NH+](C)C1(CNC(=O)[C@@H](c2ccc(Cl)cc2Cl)N2CCOCC2)CC1 ZINC000416298242 563814385 /nfs/dbraw/zinc/81/43/85/563814385.db2.gz CHVCBZLOJSNAQA-MRXNPFEDSA-N 1 0 386.323 2.577 20 0 GFADRO O=C(N[C@@H]1CC12CC[NH2+]CC2)[C@H]1CCN(c2cc(Cl)ccc2Cl)C1=O ZINC000366577624 563814739 /nfs/dbraw/zinc/81/47/39/563814739.db2.gz YTAMBSKXHAESRL-IUODEOHRSA-N 1 0 382.291 2.605 20 0 GFADRO COCC[NH+](CCOC)C1CCN(C(=O)c2c(Cl)cncc2Cl)CC1 ZINC000293529397 563817265 /nfs/dbraw/zinc/81/72/65/563817265.db2.gz BSTXQDXCSYYZGJ-UHFFFAOYSA-N 1 0 390.311 2.588 20 0 GFADRO O=C(NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1c(Cl)cncc1Cl ZINC000293670905 563821237 /nfs/dbraw/zinc/82/12/37/563821237.db2.gz JNNSYTKBHKJXJY-CQSZACIVSA-N 1 0 380.275 2.537 20 0 GFADRO COCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(Br)c(Cl)c2F)C1 ZINC000444177779 563823503 /nfs/dbraw/zinc/82/35/03/563823503.db2.gz SSMPDIHAOIWPGZ-SECBINFHSA-N 1 0 379.657 2.692 20 0 GFADRO Cc1cc(S(=O)(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c(F)cc1Br ZINC000416411135 563825048 /nfs/dbraw/zinc/82/50/48/563825048.db2.gz YXRJDRLRJLHJGR-VXGBXAGGSA-N 1 0 393.322 3.000 20 0 GFADRO COc1cc(OC)c(S(=O)(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)cc1Cl ZINC000416419185 563826614 /nfs/dbraw/zinc/82/66/14/563826614.db2.gz UEQZYHLKIYJSJB-NEPJUHHUSA-N 1 0 376.906 2.508 20 0 GFADRO Cc1cc(S(=O)(=O)N2C[C@@H]([NH3+])Cc3ccccc32)c(F)cc1Br ZINC000416429380 563827820 /nfs/dbraw/zinc/82/78/20/563827820.db2.gz YFZDWCXFWLHYHR-LBPRGKRZSA-N 1 0 399.285 2.975 20 0 GFADRO COC(=O)COc1ccc(NC(=O)[C@]2([NH+](C)C)CCCSC2)cc1Cl ZINC000367036781 563828589 /nfs/dbraw/zinc/82/85/89/563828589.db2.gz IGDLNAAUQFOMHZ-KRWDZBQOSA-N 1 0 386.901 2.658 20 0 GFADRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)c3ccncc3)C2)c(Br)c1 ZINC000367133345 563832507 /nfs/dbraw/zinc/83/25/07/563832507.db2.gz LWVKKUKNLBIEPT-OAHLLOKOSA-N 1 0 390.281 2.857 20 0 GFADRO C[C@H]1CN(C(=O)C2(c3cccc(Br)c3)CC2)CC[N@@H+]1CC(C)(C)O ZINC000444543559 563833378 /nfs/dbraw/zinc/83/33/78/563833378.db2.gz FNBIJWHTFAONSE-AWEZNQCLSA-N 1 0 395.341 2.784 20 0 GFADRO COC(=O)c1c(Cl)cccc1S(=O)(=O)NCC[N@@H+]1CCCC(C)(C)C1 ZINC000416473881 563834230 /nfs/dbraw/zinc/83/42/30/563834230.db2.gz FHQKZRJAYUOLFF-UHFFFAOYSA-N 1 0 388.917 2.527 20 0 GFADRO CC[N@H+](CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl)[C@@H]1CCCC[C@H]1C ZINC000444664976 563834540 /nfs/dbraw/zinc/83/45/40/563834540.db2.gz NMTUBGOIELKDOR-MLGOLLRUSA-N 1 0 387.933 2.827 20 0 GFADRO COC(=O)c1ccc(C[NH+]2CCC(Cn3cc(Br)cn3)CC2)nc1 ZINC000367204349 563836289 /nfs/dbraw/zinc/83/62/89/563836289.db2.gz BPJWOBGKDBALGB-UHFFFAOYSA-N 1 0 393.285 2.739 20 0 GFADRO C[C@H]1CN(Cc2nc3ccc(Br)cc3n2C)CC[N@@H+]1CC(C)(C)O ZINC000444754011 563836574 /nfs/dbraw/zinc/83/65/74/563836574.db2.gz AWHJWOMCWFMPAE-ZDUSSCGKSA-N 1 0 395.345 2.613 20 0 GFADRO CCCC[N@H+](C)C[C@@H](C)NS(=O)(=O)c1cc(Cl)c(OC)cc1OC ZINC000416483990 563836680 /nfs/dbraw/zinc/83/66/80/563836680.db2.gz PMTIEKHSHBAHQU-GFCCVEGCSA-N 1 0 378.922 2.756 20 0 GFADRO CC[NH+]1CCN(CC(=O)N[C@@H](c2ccc(F)c(Cl)c2)C(F)(F)F)CC1 ZINC000444768884 563836777 /nfs/dbraw/zinc/83/67/77/563836777.db2.gz XXXKJKQVECWAPQ-HNNXBMFYSA-N 1 0 381.801 2.836 20 0 GFADRO C[C@@H]1CN(C(=O)Nc2ccc(F)c(Br)c2)CC[N@@H+]1CC(C)(C)O ZINC000444853493 563838257 /nfs/dbraw/zinc/83/82/57/563838257.db2.gz DBWRBIOFKLGEBT-LLVKDONJSA-N 1 0 388.281 2.897 20 0 GFADRO C[C@H](c1ccc(Br)cc1)N1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000367295959 563840012 /nfs/dbraw/zinc/84/00/12/563840012.db2.gz NBKWCZRYHLSRND-DYVFJYSZSA-N 1 0 380.330 2.924 20 0 GFADRO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[NH2+][C@@H]1CCC(=O)N[C@H]1C1CC1 ZINC000367446711 563844805 /nfs/dbraw/zinc/84/48/05/563844805.db2.gz GPCOSFQHBMQDKO-QAPCUYQASA-N 1 0 384.307 2.599 20 0 GFADRO COC(=O)c1ccc(C[N@@H+]2CC[C@]3(C2)CCCN(C)C3=O)c(Br)c1 ZINC000367438122 563845283 /nfs/dbraw/zinc/84/52/83/563845283.db2.gz KPXVWMVANZQMBR-SFHVURJKSA-N 1 0 395.297 2.680 20 0 GFADRO C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]CCCn1cc(Br)cn1 ZINC000367481682 563846162 /nfs/dbraw/zinc/84/61/62/563846162.db2.gz WIGRZLIZFMFEOO-QAPCUYQASA-N 1 0 392.345 2.931 20 0 GFADRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)NCCCCn1cc(Br)cn1 ZINC000367581164 563848994 /nfs/dbraw/zinc/84/89/94/563848994.db2.gz SGDUDOHZMHSZLR-HOCLYGCPSA-N 1 0 398.349 2.694 20 0 GFADRO O=C(c1cc(Br)cnc1OCC1CC1)N1CC[NH+]2CCC1CC2 ZINC000367676748 563851723 /nfs/dbraw/zinc/85/17/23/563851723.db2.gz ZBEICLSHQZHNHY-UHFFFAOYSA-N 1 0 380.286 2.553 20 0 GFADRO C[NH+](C)C1(CNS(=O)(=O)c2cc(Br)sc2Cl)CCC1 ZINC000445750051 563854139 /nfs/dbraw/zinc/85/41/39/563854139.db2.gz QUEPMPFQWNLAID-UHFFFAOYSA-N 1 0 387.752 2.927 20 0 GFADRO COC(=O)C[C@@H]1CSCC[N@@H+]1CCOc1cc(F)cc(Br)c1 ZINC000445813357 563854242 /nfs/dbraw/zinc/85/42/42/563854242.db2.gz HMCIJQBOOYJQBZ-CYBMUJFWSA-N 1 0 392.290 2.948 20 0 GFADRO CC(C)[C@@H](CC(F)(F)F)[NH2+]CCOc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000445886197 563855391 /nfs/dbraw/zinc/85/53/91/563855391.db2.gz NVRWVWLBIXPOOM-OAHLLOKOSA-N 1 0 382.448 2.882 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000367796947 563856183 /nfs/dbraw/zinc/85/61/83/563856183.db2.gz IJYMVGODKILFQB-GUYCJALGSA-N 1 0 389.297 2.767 20 0 GFADRO CC(C)C[C@@H](C[NH+](C)C)NC(=O)[C@H]1CC(=O)Nc2ccc(Br)cc21 ZINC000446019293 563856920 /nfs/dbraw/zinc/85/69/20/563856920.db2.gz IMKMWZWLZLIFML-ZFWWWQNUSA-N 1 0 396.329 2.967 20 0 GFADRO C[N@@H+]1C[C@@H]2CN(S(=O)(=O)CCCC(F)(F)F)C[C@@H]2[C@H]1c1ccccc1 ZINC000367954089 563860386 /nfs/dbraw/zinc/86/03/86/563860386.db2.gz FRFIVKZFPKEDDJ-OWCLPIDISA-N 1 0 376.444 2.893 20 0 GFADRO C[C@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)[N@@H+]1CC[C@@H](CC(N)=O)C1 ZINC000367981388 563861000 /nfs/dbraw/zinc/86/10/00/563861000.db2.gz AAKIPNFKKGZSHK-ZJUUUORDSA-N 1 0 377.794 2.883 20 0 GFADRO Cc1c(C(=O)N[C@@H]2CC23CC[NH2+]CC3)cnn1-c1ccc(Br)cc1 ZINC000368048127 563862500 /nfs/dbraw/zinc/86/25/00/563862500.db2.gz VXIMOAZGQOYCEX-MRXNPFEDSA-N 1 0 389.297 2.815 20 0 GFADRO COc1ccc(C(=O)N2CCC([N@@H+]3CCC[C@@H]3C)CC2)nc1Br ZINC000368079298 563863295 /nfs/dbraw/zinc/86/32/95/563863295.db2.gz PTWOXDQRBSXXAJ-LBPRGKRZSA-N 1 0 382.302 2.942 20 0 GFADRO CC(C)[C@H](NC(=O)c1ccccc1Br)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000446403601 563863753 /nfs/dbraw/zinc/86/37/53/563863753.db2.gz XQQUASFTQMFDQQ-WWGRRREGSA-N 1 0 396.329 2.590 20 0 GFADRO [NH3+][C@@H]1CCC[C@H](NC(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)C1 ZINC000446406118 563863852 /nfs/dbraw/zinc/86/38/52/563863852.db2.gz OMZYXJVGURDZRO-WWGRRREGSA-N 1 0 384.307 2.984 20 0 GFADRO Cc1ccc(-n2nc(Br)cc2C(=O)N[C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000368194376 563866397 /nfs/dbraw/zinc/86/63/97/563866397.db2.gz QGBWXQHTTYVPTC-OAHLLOKOSA-N 1 0 389.297 2.815 20 0 GFADRO C[NH+](C)C1(CNC(=O)NC[C@@H](O)COc2cccc(Cl)c2Cl)CCC1 ZINC000446624891 563866833 /nfs/dbraw/zinc/86/68/33/563866833.db2.gz QHTKHOFAXQVUMQ-GFCCVEGCSA-N 1 0 390.311 2.517 20 0 GFADRO CO[C@H]1CCN(C(=O)NCC(C)(C)c2ccc(Br)cc2)[C@H](C[NH3+])C1 ZINC000417113264 563868210 /nfs/dbraw/zinc/86/82/10/563868210.db2.gz FPRFYCJTEHRAJB-HOTGVXAUSA-N 1 0 398.345 2.874 20 0 GFADRO Cc1cc(C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)nn1-c1ccc(Br)cc1 ZINC000368310746 563868399 /nfs/dbraw/zinc/86/83/99/563868399.db2.gz RTHNVSDIBQFUAA-VBNZEHGJSA-N 1 0 389.297 2.753 20 0 GFADRO C[N@@H+]1CCC[C@H](N2CCN(c3ccnc4cc(Br)cnc43)CC2)C1 ZINC000368399938 563869816 /nfs/dbraw/zinc/86/98/16/563869816.db2.gz NEHMOEPFBXRXHC-HNNXBMFYSA-N 1 0 390.329 2.609 20 0 GFADRO C[C@@H](NC(=O)NCCC[NH2+]C1CC1)c1cc2c(cc1Br)OCCO2 ZINC000417177233 563870311 /nfs/dbraw/zinc/87/03/11/563870311.db2.gz LPSFLAFANUVLAB-LLVKDONJSA-N 1 0 398.301 2.723 20 0 GFADRO C[C@H](NC(=O)N[C@H]1CC[C@H](C[NH3+])C1)c1cc2c(cc1Br)OCCO2 ZINC000417174061 563870555 /nfs/dbraw/zinc/87/05/55/563870555.db2.gz HYANQFMBTLMWAW-SRVKXCTJSA-N 1 0 398.301 2.708 20 0 GFADRO CCOC(=O)C1(NC(=O)c2cc(Cl)c(Cl)cc2OC)CC[NH+](C)CC1 ZINC000368481826 563872097 /nfs/dbraw/zinc/87/20/97/563872097.db2.gz JPRDPJQVERMDRZ-UHFFFAOYSA-N 1 0 389.279 2.759 20 0 GFADRO CC[C@@H]1Cc2c(Br)cccc2CN1C(=O)CN1CC[NH+](CC)CC1 ZINC000447069459 563874389 /nfs/dbraw/zinc/87/43/89/563874389.db2.gz VVDNVKLHPRULQB-MRXNPFEDSA-N 1 0 394.357 2.750 20 0 GFADRO [NH3+][C@@H]1CCC[C@H](NC(=O)NC[C@@H]2CCN(c3cccc(Br)c3)C2)C1 ZINC000417256995 563875344 /nfs/dbraw/zinc/87/53/44/563875344.db2.gz BXMWRMPETYMAPO-IMJJTQAJSA-N 1 0 395.345 2.845 20 0 GFADRO O=C(NCCC[NH2+]C1CC1)NC[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000417263846 563875825 /nfs/dbraw/zinc/87/58/25/563875825.db2.gz QXFYXIWTBKXPNY-AWEZNQCLSA-N 1 0 395.345 2.717 20 0 GFADRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NC[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000417266821 563875929 /nfs/dbraw/zinc/87/59/29/563875929.db2.gz WXFOTCYCIQTDJB-CKEIUWERSA-N 1 0 395.345 2.573 20 0 GFADRO C[C@H](C[NH3+])N(C)C(=O)N[C@@H](C)CCc1ccc(I)cc1 ZINC000418117315 563899475 /nfs/dbraw/zinc/89/94/75/563899475.db2.gz SJJOHEYWUAMGOL-NWDGAFQWSA-N 1 0 389.281 2.601 20 0 GFADRO O=C(NCC1(c2c(Cl)cccc2Cl)CCC1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000447185070 563876407 /nfs/dbraw/zinc/87/64/07/563876407.db2.gz QAUARJLACVZWAI-MRXNPFEDSA-N 1 0 382.335 2.921 20 0 GFADRO COCC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1ccc(Cl)c2ccccc21 ZINC000447202748 563877019 /nfs/dbraw/zinc/87/70/19/563877019.db2.gz ZNVGZVHGQXGWIL-CQSZACIVSA-N 1 0 382.913 2.882 20 0 GFADRO COc1ccc(Br)cc1CNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000417389980 563879292 /nfs/dbraw/zinc/87/92/92/563879292.db2.gz YEJZSGLTOOPPIX-YIONKMFJSA-N 1 0 382.302 2.882 20 0 GFADRO COC[C@H](C)OC[C@H](O)C[N@H+](C)CC1(c2ccc(Br)cc2)CC1 ZINC000447308932 563879479 /nfs/dbraw/zinc/87/94/79/563879479.db2.gz JARBCLPTMPUDDA-WMLDXEAASA-N 1 0 386.330 2.825 20 0 GFADRO [NH3+]C1CCN(C(=O)NCc2cc(Br)ccc2OC(F)F)CC1 ZINC000417409696 563879830 /nfs/dbraw/zinc/87/98/30/563879830.db2.gz QMCRWLXGTUSOKZ-UHFFFAOYSA-N 1 0 378.217 2.683 20 0 GFADRO CN(C(=O)NCC1(c2ccc(Br)cc2)CCOCC1)C1CC([NH3+])C1 ZINC000417434029 563880281 /nfs/dbraw/zinc/88/02/81/563880281.db2.gz WKTNPFKCOXGXDI-UHFFFAOYSA-N 1 0 396.329 2.628 20 0 GFADRO COc1cc(Br)c(CNC(=O)N[C@H]2CCC[C@H]([NH3+])C2)cc1OC ZINC000417449596 563880505 /nfs/dbraw/zinc/88/05/05/563880505.db2.gz YGKKGDANVBTOJD-RYUDHWBXSA-N 1 0 386.290 2.535 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H](CNC(=O)N[C@@H]2CCN(c3ccc(Br)cc3)C2)C1 ZINC000417484418 563881195 /nfs/dbraw/zinc/88/11/95/563881195.db2.gz UREMMXAZYUDGPD-FVQBIDKESA-N 1 0 395.345 2.845 20 0 GFADRO Cc1cc(NC(=O)N2CCC[N@@H+]([C@H](C)CO)CC2)cc(F)c1Br ZINC000417528329 563882191 /nfs/dbraw/zinc/88/21/91/563882191.db2.gz PJZVHSZXYVRFHM-GFCCVEGCSA-N 1 0 388.281 2.817 20 0 GFADRO Cc1c(Br)ccc(C(=O)NC[C@@H](O)C[NH+]2CCC(C)CC2)c1F ZINC000447557772 563882952 /nfs/dbraw/zinc/88/29/52/563882952.db2.gz LSIIDRAMWCXJNP-CYBMUJFWSA-N 1 0 387.293 2.719 20 0 GFADRO C[C@H](CO)[N@@H+]1CCCN(C(=O)[C@@H](C)Cc2ccc(Br)cc2)CC1 ZINC000368976207 563883671 /nfs/dbraw/zinc/88/36/71/563883671.db2.gz USZLGZXMLDATCG-LSDHHAIUSA-N 1 0 383.330 2.543 20 0 GFADRO O=C(N[C@@H]1CCN(c2ccccc2Br)C1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000417590806 563885379 /nfs/dbraw/zinc/88/53/79/563885379.db2.gz CCEYFVMPMDEFCF-HIFRSBDPSA-N 1 0 393.329 2.564 20 0 GFADRO C[C@H](CC[NH3+])NC(=O)NCCSCCOc1cccc(Br)c1 ZINC000417597065 563885484 /nfs/dbraw/zinc/88/54/84/563885484.db2.gz RWLLFPJOKYIVFZ-GFCCVEGCSA-N 1 0 390.347 2.598 20 0 GFADRO O=C(NCCC[C@H]1CCC[NH2+]1)N[C@H]1CCN(c2ccccc2Br)C1 ZINC000417599070 563885652 /nfs/dbraw/zinc/88/56/52/563885652.db2.gz HEGVZHSDGUKBEK-CABCVRRESA-N 1 0 395.345 2.859 20 0 GFADRO C[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCCN(c3ccc(Br)cn3)C2)C1 ZINC000369085567 563886862 /nfs/dbraw/zinc/88/68/62/563886862.db2.gz UTSNWISJRYHFMB-GDBMZVCRSA-N 1 0 395.345 2.613 20 0 GFADRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)NCCOc1ncc(C(F)(F)F)cc1Cl ZINC000417736940 563887868 /nfs/dbraw/zinc/88/78/68/563887868.db2.gz NCTMGKQJFSONNJ-VHSXEESVSA-N 1 0 380.798 2.511 20 0 GFADRO C[S@@](=O)c1ccc(CC(=O)NC2CC[NH+](Cc3ccsc3)CC2)cc1 ZINC000369161489 563888108 /nfs/dbraw/zinc/88/81/08/563888108.db2.gz FBVMFESNNYBVBM-RUZDIDTESA-N 1 0 376.547 2.809 20 0 GFADRO C[C@H](CNC(=O)N1CCC[C@H]([C@H](C)[NH3+])C1)Oc1ccc(Br)cc1 ZINC000417767337 563888435 /nfs/dbraw/zinc/88/84/35/563888435.db2.gz BGSOBDUGRKMYKM-RDBSUJKOSA-N 1 0 384.318 2.985 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2cc(OC)c(OC)cc2Cl)C[C@@H]1C ZINC000447868267 563889107 /nfs/dbraw/zinc/88/91/07/563889107.db2.gz IUSDLFZLGXVDAQ-QWHCGFSZSA-N 1 0 390.933 2.851 20 0 GFADRO C[NH2+]C[C@H]1CCCN(C(=O)NC[C@@H](C)Oc2ccccc2Br)C1 ZINC000417823966 563889904 /nfs/dbraw/zinc/88/99/04/563889904.db2.gz LHHXAAWIZRSURH-ZIAGYGMSSA-N 1 0 384.318 2.857 20 0 GFADRO C[C@@H](CNC(=O)N[C@@H]1C[NH2+]CCC1(F)F)Oc1ccccc1Br ZINC000417827244 563890221 /nfs/dbraw/zinc/89/02/21/563890221.db2.gz PIJFTERWPVLFSA-GXFFZTMASA-N 1 0 392.244 2.513 20 0 GFADRO C[C@@H](CNC(=O)N[C@H]1C[NH2+]CCC1(F)F)Oc1ccccc1Br ZINC000417827242 563890324 /nfs/dbraw/zinc/89/03/24/563890324.db2.gz PIJFTERWPVLFSA-GWCFXTLKSA-N 1 0 392.244 2.513 20 0 GFADRO C[C@H](CNC(=O)NCC[C@@H]1CCC[NH2+]C1)Oc1ccccc1Br ZINC000417826067 563890381 /nfs/dbraw/zinc/89/03/81/563890381.db2.gz NWOPCILFZUBYQT-KGLIPLIRSA-N 1 0 384.318 2.905 20 0 GFADRO C[C@H]([NH2+][C@H](CO)[C@H]1CCCO1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000447913248 563890618 /nfs/dbraw/zinc/89/06/18/563890618.db2.gz IGWNEUNLVZIHTH-CUOATXAZSA-N 1 0 380.794 2.815 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)NCc2cc(Cl)cc(Cl)c2OC(F)F)CCCO1 ZINC000417893404 563890982 /nfs/dbraw/zinc/89/09/82/563890982.db2.gz YDFFBURGGDKHKH-NSHDSACASA-N 1 0 398.237 2.854 20 0 GFADRO COc1ccccc1[C@H](C[NH2+]Cc1c(Br)c(C)nn1C)N(C)C ZINC000447933660 563891120 /nfs/dbraw/zinc/89/11/20/563891120.db2.gz UTAZMXARIXSOCP-AWEZNQCLSA-N 1 0 381.318 2.892 20 0 GFADRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNS(=O)(=O)c1cc(F)ccc1Br ZINC000447936047 563891411 /nfs/dbraw/zinc/89/14/11/563891411.db2.gz LVVDBKBPUNHAHA-AWEZNQCLSA-N 1 0 393.322 2.987 20 0 GFADRO O=C(NCCCOc1ncc(C(F)(F)F)cc1Cl)NC[C@H]1CCC[NH2+]1 ZINC000417965391 563892706 /nfs/dbraw/zinc/89/27/06/563892706.db2.gz RLVNJEHFPPHEGU-LLVKDONJSA-N 1 0 380.798 2.574 20 0 GFADRO C[NH+](C)C[C@H]1CCN(C(=O)[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C1 ZINC000369339239 563893287 /nfs/dbraw/zinc/89/32/87/563893287.db2.gz VIBOETTYIZHLEO-OCCSQVGLSA-N 1 0 384.307 2.756 20 0 GFADRO CC[N@H+](CCNC(=O)Nc1ccnn1-c1ccc(Br)cn1)C(C)C ZINC000448128787 563894556 /nfs/dbraw/zinc/89/45/56/563894556.db2.gz JTFSFWBLHPVGCR-UHFFFAOYSA-N 1 0 395.305 2.882 20 0 GFADRO [NH3+]C[C@H]1CCN(C(=O)NC2CCN(Cc3cc(Cl)cc(Cl)c3)CC2)C1 ZINC000417999688 563894778 /nfs/dbraw/zinc/89/47/78/563894778.db2.gz VDZVWNWHHMVULU-CYBMUJFWSA-N 1 0 385.339 2.948 20 0 GFADRO CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000418000606 563894787 /nfs/dbraw/zinc/89/47/87/563894787.db2.gz WUFAOFKYKWLERE-KOZAUXTDSA-N 1 0 384.318 2.822 20 0 GFADRO COc1cc(Br)ccc1CCCNC(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000418011538 563894976 /nfs/dbraw/zinc/89/49/76/563894976.db2.gz WZDNCSMOMAJRJK-KRWDZBQOSA-N 1 0 384.318 2.771 20 0 GFADRO [NH3+]CC[C@@H]1CCCN(C(=O)NCc2cc(Br)cc3c2OCC3)C1 ZINC000418005815 563895106 /nfs/dbraw/zinc/89/51/06/563895106.db2.gz DWCZDUOGGHGSPY-LBPRGKRZSA-N 1 0 382.302 2.654 20 0 GFADRO COc1cc(Br)ccc1CCCNC(=O)NCCC1=CC[NH2+]CC1 ZINC000418006503 563895170 /nfs/dbraw/zinc/89/51/70/563895170.db2.gz QGKRZPJODVRZRY-UHFFFAOYSA-N 1 0 396.329 2.999 20 0 GFADRO Cc1cc(Br)cn2cc(CNC(=O)N3CC[C@H](C)[C@@H](C[NH3+])C3)nc12 ZINC000418015884 563895344 /nfs/dbraw/zinc/89/53/44/563895344.db2.gz FGKVRRYVIWMWMN-AAEUAGOBSA-N 1 0 394.317 2.532 20 0 GFADRO Cc1cc(Br)cn2cc(CNC(=O)NCC3([NH3+])CCCCC3)nc12 ZINC000418021612 563895412 /nfs/dbraw/zinc/89/54/12/563895412.db2.gz JZJUTNRZNPMOLT-UHFFFAOYSA-N 1 0 394.317 2.866 20 0 GFADRO Cc1cc(Br)cn2cc(CNC(=O)N3CCC([C@@H](C)[NH3+])CC3)nc12 ZINC000418021385 563895528 /nfs/dbraw/zinc/89/55/28/563895528.db2.gz JCRPHOXGGRJAHX-GFCCVEGCSA-N 1 0 394.317 2.674 20 0 GFADRO Cc1cc(Br)cn2cc(CNC(=O)N(C)CC(C)(C)C[NH3+])nc12 ZINC000418021351 563895693 /nfs/dbraw/zinc/89/56/93/563895693.db2.gz IXCKFQKGZVUXMF-UHFFFAOYSA-N 1 0 382.306 2.532 20 0 GFADRO Cc1cc(Br)cn2cc(CNC(=O)NCC3(C)CC[NH2+]CC3)nc12 ZINC000418024306 563895801 /nfs/dbraw/zinc/89/58/01/563895801.db2.gz MVMKHYDOUIRWLM-UHFFFAOYSA-N 1 0 394.317 2.594 20 0 GFADRO CCCOC[C@@H](Cc1cccc(Br)c1)NC(=O)NC[C@@H]([NH3+])C1CC1 ZINC000418035044 563896434 /nfs/dbraw/zinc/89/64/34/563896434.db2.gz UMPANGQRZVPVHI-IAGOWNOFSA-N 1 0 398.345 2.823 20 0 GFADRO CC(C)[C@@H]([NH3+])CNC(=O)NCc1cc(Br)ccc1Br ZINC000418047266 563896961 /nfs/dbraw/zinc/89/69/61/563896961.db2.gz QGMGSHMASZELCR-LBPRGKRZSA-N 1 0 393.123 2.994 20 0 GFADRO O=C(N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000418081127 563897869 /nfs/dbraw/zinc/89/78/69/563897869.db2.gz NPRDNGDDGOFEOD-GZBFAFLISA-N 1 0 383.323 2.823 20 0 GFADRO C[C@H]1CN(C(=O)NCc2cnn(-c3ccc(Br)cc3)c2)[C@@H](C)C[NH2+]1 ZINC000418089820 563898590 /nfs/dbraw/zinc/89/85/90/563898590.db2.gz MTSNQCYALZUASA-STQMWFEESA-N 1 0 392.301 2.527 20 0 GFADRO [NH3+][C@@H]1CCC[C@H](CNC(=O)N[C@@H]2CCN(c3cccc(Br)c3)C2)C1 ZINC000418094352 563898613 /nfs/dbraw/zinc/89/86/13/563898613.db2.gz HWJDOOWQUQZSQX-NUEKZKHPSA-N 1 0 395.345 2.845 20 0 GFADRO CCCN(C(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1)[C@H]1CC[NH2+]C1 ZINC000418098679 563898944 /nfs/dbraw/zinc/89/89/44/563898944.db2.gz MHKVHCKWCNYCRB-WBVHZDCISA-N 1 0 395.345 2.811 20 0 GFADRO C[C@@H](CCCC[NH3+])NC(=O)N[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000418106818 563899162 /nfs/dbraw/zinc/89/91/62/563899162.db2.gz YBWKJWOJWWTRBP-ZFWWWQNUSA-N 1 0 383.334 2.845 20 0 GFADRO O=C(N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000418122663 563899509 /nfs/dbraw/zinc/89/95/09/563899509.db2.gz XXIFDQARMVLURT-LMOYCYGVSA-N 1 0 382.277 2.695 20 0 GFADRO COCC[N@H+](C)CCCNC(=O)c1cc2c(ccc(F)c2Br)[nH]1 ZINC000448690854 563900024 /nfs/dbraw/zinc/90/00/24/563900024.db2.gz OUORSQBAZVSGKB-UHFFFAOYSA-N 1 0 386.265 2.768 20 0 GFADRO CC[NH2+][C@H](C)CNC(=O)NCc1ccc(I)cc1Cl ZINC000418131616 563900043 /nfs/dbraw/zinc/90/00/43/563900043.db2.gz XWLFEJCPCLXXOS-SECBINFHSA-N 1 0 395.672 2.742 20 0 GFADRO O=C(N[C@@H]1CCOc2c(Br)cccc21)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000418153280 563900288 /nfs/dbraw/zinc/90/02/88/563900288.db2.gz IIZFJCJQBDRKJO-TYNCELHUSA-N 1 0 380.286 2.809 20 0 GFADRO C[NH2+]C[C@H]1CCCN(C(=O)N[C@H]2CCOc3c(Br)cccc32)C1 ZINC000418166235 563900458 /nfs/dbraw/zinc/90/04/58/563900458.db2.gz UIMCKUBGZQLOHV-DOMZBBRYSA-N 1 0 382.302 2.914 20 0 GFADRO Cc1cc(Br)cc(C)c1N1CCC[C@H](NC(=O)N(C)CC[NH3+])C1 ZINC000418189325 563900831 /nfs/dbraw/zinc/90/08/31/563900831.db2.gz XNCZUOIPINNKQJ-HNNXBMFYSA-N 1 0 383.334 2.635 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)c1ccc(I)cc1F)C1CC1 ZINC000448753242 563901039 /nfs/dbraw/zinc/90/10/39/563901039.db2.gz WSSUNOGFINGVHZ-ZDUSSCGKSA-N 1 0 376.213 2.500 20 0 GFADRO Cc1ccc(C(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)c(Cl)c1Cl ZINC000448864432 563902332 /nfs/dbraw/zinc/90/23/32/563902332.db2.gz BREQALNKNYETSX-CQSZACIVSA-N 1 0 386.323 2.974 20 0 GFADRO O=C(c1ccccc1-n1cc(Br)cn1)N1CC[NH+](C2CCC2)CC1 ZINC000448981810 563904413 /nfs/dbraw/zinc/90/44/13/563904413.db2.gz HYMJGRWFAZQPKP-UHFFFAOYSA-N 1 0 389.297 2.945 20 0 GFADRO Fc1c(Br)cccc1C[NH2+]C[C@]1(N2CCOCC2)CCSC1 ZINC000449089724 563906444 /nfs/dbraw/zinc/90/64/44/563906444.db2.gz FFRKVRHCAKRJPH-MRXNPFEDSA-N 1 0 389.334 2.886 20 0 GFADRO Brc1cccc2c(C[NH2+]C[C@H]3CN(C4CC4)CCO3)ccnc12 ZINC000449125219 563906868 /nfs/dbraw/zinc/90/68/68/563906868.db2.gz RANIYDPBMZZEQT-HNNXBMFYSA-N 1 0 376.298 2.950 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]CC1(CCO)CCC1 ZINC000449193146 563907716 /nfs/dbraw/zinc/90/77/16/563907716.db2.gz VIQZQWCLUXPTBD-ZDUSSCGKSA-N 1 0 399.329 2.605 20 0 GFADRO COC(=O)Cn1cc(C[NH2+]CCSCc2ccc(Cl)cc2Cl)nn1 ZINC000449202638 563907859 /nfs/dbraw/zinc/90/78/59/563907859.db2.gz IVQSOAABTAUICL-UHFFFAOYSA-N 1 0 389.308 2.781 20 0 GFADRO CS(=O)(=O)c1cccc(C[NH2+]Cc2cc3c(c(Br)c2)OCO3)c1 ZINC000449219006 563908186 /nfs/dbraw/zinc/90/81/86/563908186.db2.gz LSJLOJZUKZHEJF-UHFFFAOYSA-N 1 0 398.278 2.871 20 0 GFADRO CS(=O)(=O)N1CCC[C@@H]1C[NH2+]Cc1cnc(-c2c(F)cccc2F)s1 ZINC000449215817 563908361 /nfs/dbraw/zinc/90/83/61/563908361.db2.gz OOFKALFOGMXOAS-LLVKDONJSA-N 1 0 387.477 2.602 20 0 GFADRO C[NH+](C)CCNC(=O)Cn1cc(NCc2cc(Cl)sc2Cl)cn1 ZINC000449242910 564177782 /nfs/dbraw/zinc/17/77/82/564177782.db2.gz ZNBVLDDXHWNDRC-UHFFFAOYSA-N 1 0 376.313 2.541 20 0 GFADRO COC(=O)C[C@@]1([NH2+]Cc2ccnc3c(Br)cccc23)CCOC1 ZINC000449249860 564177954 /nfs/dbraw/zinc/17/79/54/564177954.db2.gz MHMDPSCRWYBGCC-KRWDZBQOSA-N 1 0 379.254 2.809 20 0 GFADRO COC(=O)CC[C@H]([NH3+])C(=O)N1CCCC[C@@H]1Cc1cccc(Br)c1 ZINC000563169488 564178999 /nfs/dbraw/zinc/17/89/99/564178999.db2.gz ITXPXKGLSDYYSG-CVEARBPZSA-N 1 0 397.313 2.653 20 0 GFADRO C[C@@H]1C[N@H+](C[C@H](O)COc2cc(F)cc(Br)c2)C[C@@H](C2CC2)O1 ZINC000470905367 564179691 /nfs/dbraw/zinc/17/96/91/564179691.db2.gz GIWWRPBGIRODIP-PJQXDXOGSA-N 1 0 388.277 2.827 20 0 GFADRO CO[C@@]1(C)CCC[N@H+](C[C@@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000470906346 564179763 /nfs/dbraw/zinc/17/97/63/564179763.db2.gz MPSAOGWDUQPHJR-ZBFHGGJFSA-N 1 0 376.266 2.829 20 0 GFADRO CS(=O)(=O)N[C@@H]1CCCC[C@@H]1C[NH2+]Cc1cccc(F)c1Br ZINC000449317328 564180897 /nfs/dbraw/zinc/18/08/97/564180897.db2.gz AXTGLGGAVOIXOT-BXUZGUMPSA-N 1 0 393.322 2.786 20 0 GFADRO C[C@H]1CN(Cc2ncc(I)s2)CC[N@@H+](C2CC2)C1 ZINC000449348344 564182058 /nfs/dbraw/zinc/18/20/58/564182058.db2.gz TZHSQWLPSDFPRS-JTQLQIEISA-N 1 0 377.295 2.664 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]Cc1ccnc(C)c1 ZINC000449404614 564184163 /nfs/dbraw/zinc/18/41/63/564184163.db2.gz VRRASDUAGSEHFS-ZDUSSCGKSA-N 1 0 392.297 2.956 20 0 GFADRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)[C@@H]1Cc2cc(Br)ccc2O1 ZINC000471087505 564184642 /nfs/dbraw/zinc/18/46/42/564184642.db2.gz TZHUFHRLIRGWLF-SJCJKPOMSA-N 1 0 381.314 2.941 20 0 GFADRO OCCN1CCCC[C@@H]1C[NH2+]Cc1cc(Br)ccc1OC(F)F ZINC000449394348 564184585 /nfs/dbraw/zinc/18/45/85/564184585.db2.gz NTZNQMGSZCWMDI-CQSZACIVSA-N 1 0 393.272 2.987 20 0 GFADRO OCCN1CCCC[C@@H]1C[NH2+]Cc1nc(-c2cccc(Br)c2)c[nH]1 ZINC000449395780 564184905 /nfs/dbraw/zinc/18/49/05/564184905.db2.gz QWKKHHPRIKHNIA-MRXNPFEDSA-N 1 0 393.329 2.776 20 0 GFADRO O=S(=O)(C1CC1)N1CCCN(Cc2c(Cl)ccc3cccnc32)CC1 ZINC000563309981 564185776 /nfs/dbraw/zinc/18/57/76/564185776.db2.gz VMLMZQNNJJEZLV-UHFFFAOYSA-N 1 0 379.913 2.888 20 0 GFADRO COc1ccc(Br)cc1C(=O)CCC(=O)N(CC[NH+](C)C)C1CC1 ZINC000505639234 564186629 /nfs/dbraw/zinc/18/66/29/564186629.db2.gz UTFFNOWCHLLDKA-UHFFFAOYSA-N 1 0 397.313 2.973 20 0 GFADRO CO[C@@H]1COCC[C@@H]1C[NH2+]Cc1c(F)ccc(I)c1F ZINC000449456306 564187032 /nfs/dbraw/zinc/18/70/32/564187032.db2.gz FACXYYBKFVDJAH-NOZJJQNGSA-N 1 0 397.203 2.711 20 0 GFADRO CO[C@@H]1COCC[C@H]1C[NH2+][C@@H](C)CC(=O)Nc1ccc(Br)cc1 ZINC000449457884 564186891 /nfs/dbraw/zinc/18/68/91/564186891.db2.gz OHJQOERHODSYFM-HEHGZKQESA-N 1 0 385.302 2.807 20 0 GFADRO CCOc1c(Br)cc(C[NH2+]C[C@H]2CCOC[C@H]2OC)cc1OC ZINC000449455740 564186895 /nfs/dbraw/zinc/18/68/95/564186895.db2.gz LQMIPDLKTXEFGR-CZUORRHYSA-N 1 0 388.302 2.998 20 0 GFADRO O[C@@H]1C[C@@H]([C@@H]2CCCOC2)[N@H+](Cc2cc(Br)cc3c2OCC3)C1 ZINC000449433862 564186923 /nfs/dbraw/zinc/18/69/23/564186923.db2.gz ODEOVGVGERIHTA-XYPHTWIQSA-N 1 0 382.298 2.746 20 0 GFADRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3COc4ccc(Br)cc43)C2)C1 ZINC000505661279 564187247 /nfs/dbraw/zinc/18/72/47/564187247.db2.gz UDGOIHZBOICXFQ-CRAIPNDOSA-N 1 0 379.298 2.869 20 0 GFADRO CO[C@H]1COCC[C@@H]1C[NH2+]Cc1nc(-c2cccc(Br)c2)c[nH]1 ZINC000449455856 564187221 /nfs/dbraw/zinc/18/72/21/564187221.db2.gz LXXBVZFOZMRNJZ-CJNGLKHVSA-N 1 0 380.286 2.980 20 0 GFADRO C[NH+](C)CCN(C(=O)c1cc(I)ccc1F)C1CC1 ZINC000505668830 564187437 /nfs/dbraw/zinc/18/74/37/564187437.db2.gz LDIJZINVWTZKON-UHFFFAOYSA-N 1 0 376.213 2.597 20 0 GFADRO C[NH+](C)CCn1ccc(C(=O)NC2(c3ccc(Br)cc3)CC2)n1 ZINC000563379785 564188609 /nfs/dbraw/zinc/18/86/09/564188609.db2.gz YAAXPEDEDHWENE-UHFFFAOYSA-N 1 0 377.286 2.626 20 0 GFADRO CC(=O)N1CCC[N@H+](C[C@@H]2CCCN(Cc3ccc(Br)o3)C2)CC1 ZINC000449510694 564188935 /nfs/dbraw/zinc/18/89/35/564188935.db2.gz XUGFGIUJHHDCJC-INIZCTEOSA-N 1 0 398.345 2.808 20 0 GFADRO C[C@@H](C(=O)N1CCO[C@H](c2ccc(F)c(Br)c2)C1)[NH+]1CC(C)C1 ZINC000563391292 564189214 /nfs/dbraw/zinc/18/92/14/564189214.db2.gz NRWZFGPINKJYCS-LRDDRELGSA-N 1 0 385.277 2.828 20 0 GFADRO C[C@@H]1CN(Cc2cccc(Br)c2OC(F)F)C[C@H](C)[N@H+]1CCO ZINC000449538013 564189620 /nfs/dbraw/zinc/18/96/20/564189620.db2.gz SVWCPGZRCNNXAE-TXEJJXNPSA-N 1 0 393.272 2.937 20 0 GFADRO CCN1C[C@H]([NH2+]Cc2cc(Br)c(OC(F)F)c(OC)c2)CC1=O ZINC000449518593 564189700 /nfs/dbraw/zinc/18/97/00/564189700.db2.gz OHGQNZFJKURQDZ-SNVBAGLBSA-N 1 0 393.228 2.770 20 0 GFADRO CC(C)Sc1cc(Br)ccc1C[N@@H+]1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000449524451 564190036 /nfs/dbraw/zinc/19/00/36/564190036.db2.gz RATHDBFDHCFINF-BETUJISGSA-N 1 0 383.311 2.654 20 0 GFADRO COCC(=O)N1CCC([NH2+][C@H](C)c2ccc(OC)cc2Br)CC1 ZINC000538395028 564190076 /nfs/dbraw/zinc/19/00/76/564190076.db2.gz WKBRKQUNZDYAEX-GFCCVEGCSA-N 1 0 385.302 2.746 20 0 GFADRO Cc1c(I)cccc1C(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000471282030 564191625 /nfs/dbraw/zinc/19/16/25/564191625.db2.gz HHSVKOJLDKYTJO-ZDUSSCGKSA-N 1 0 384.261 2.908 20 0 GFADRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)c1nn(-c2ccc(F)cc2)cc1Br ZINC000505844371 564191742 /nfs/dbraw/zinc/19/17/42/564191742.db2.gz FQBRKYJFULLGOE-WDEREUQCSA-N 1 0 381.249 2.596 20 0 GFADRO COCCOc1ccc(Br)cc1NC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000563474559 564192741 /nfs/dbraw/zinc/19/27/41/564192741.db2.gz RBMYFEJAUYSGHK-CHWSQXEVSA-N 1 0 398.301 2.548 20 0 GFADRO [NH3+]C[C@H]1CCCN(C(=O)Nc2nnc(-c3cccc(Br)c3)s2)C1 ZINC000563483028 564193124 /nfs/dbraw/zinc/19/31/24/564193124.db2.gz RKUDHIVYOQTLGX-SNVBAGLBSA-N 1 0 396.314 3.170 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)NC1CCN(c2nccs2)CC1)c1ccsc1 ZINC000538570565 564194115 /nfs/dbraw/zinc/19/41/15/564194115.db2.gz YEKYIXOZLJJJCA-HNNXBMFYSA-N 1 0 379.555 2.776 20 0 GFADRO C[C@H](Oc1cc(Cl)cc(Cl)c1)C(=O)NCC1([NH+](C)C)CCOCC1 ZINC000506021929 564195233 /nfs/dbraw/zinc/19/52/33/564195233.db2.gz JBKAIIWBASKBET-LBPRGKRZSA-N 1 0 375.296 2.988 20 0 GFADRO C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)NCC1([NH+](C)C)CCOCC1 ZINC000506016474 564195263 /nfs/dbraw/zinc/19/52/63/564195263.db2.gz CMMVVGZRYIIYTF-LBPRGKRZSA-N 1 0 375.296 2.988 20 0 GFADRO Cc1c(Br)cccc1C[C@H](CO)C[NH2+]Cc1cc(C(N)=O)cs1 ZINC000449680446 564195745 /nfs/dbraw/zinc/19/57/45/564195745.db2.gz GVMZJVWLGVOAHP-LBPRGKRZSA-N 1 0 397.338 2.859 20 0 GFADRO CC(C)[NH+](CCNC(=O)NCCCCn1cc(Br)cn1)C(C)C ZINC000471477465 564195909 /nfs/dbraw/zinc/19/59/09/564195909.db2.gz WKKPGYLOQMMVRX-UHFFFAOYSA-N 1 0 388.354 2.844 20 0 GFADRO COC(=O)c1cc(C[NH2+]C[C@@H](CO)Cc2cccc(Br)c2C)c[nH]1 ZINC000449687051 564196798 /nfs/dbraw/zinc/19/67/98/564196798.db2.gz ZXDNZMWUPKFEOB-AWEZNQCLSA-N 1 0 395.297 2.813 20 0 GFADRO O=C1CC[C@@H]([NH+]2CCN(Cc3csc(-c4cccs4)n3)CC2)CCN1 ZINC000449692251 564197029 /nfs/dbraw/zinc/19/70/29/564197029.db2.gz AWFLHQGIQXDUQX-OAHLLOKOSA-N 1 0 376.551 2.658 20 0 GFADRO O=C(c1ccc2c[nH+]cn2c1)N(CCO)Cc1cc(Br)ccc1F ZINC000563553055 564197114 /nfs/dbraw/zinc/19/71/14/564197114.db2.gz IXOPGDGDCODMGQ-UHFFFAOYSA-N 1 0 392.228 2.871 20 0 GFADRO C[C@@H]1C[C@H]([NH2+]C[C@@H](CO)Cc2ccc(F)c(Br)c2)CN1C1CC1 ZINC000449686171 564197203 /nfs/dbraw/zinc/19/72/03/564197203.db2.gz VKXNNYOHRZWTST-SNPRPXQTSA-N 1 0 385.321 2.954 20 0 GFADRO CO[C@H]1CCN(C(=O)NCc2ccc(-c3csc(C)n3)s2)[C@@H](C[NH3+])C1 ZINC000563560724 564197573 /nfs/dbraw/zinc/19/75/73/564197573.db2.gz VXBYQWZWLOHIPT-OLZOCXBDSA-N 1 0 380.539 2.828 20 0 GFADRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)[C@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)C1 ZINC000449717358 564197942 /nfs/dbraw/zinc/19/79/42/564197942.db2.gz MXURQBXUJXKPKG-AXAPSJFSSA-N 1 0 384.307 2.842 20 0 GFADRO Cc1nc(C(=O)N[C@H](CC[NH3+])C(F)(F)F)nn1-c1c(Cl)cccc1Cl ZINC000449713795 564198139 /nfs/dbraw/zinc/19/81/39/564198139.db2.gz APCQPHHVEJHYHO-SNVBAGLBSA-N 1 0 396.200 2.892 20 0 GFADRO O=C(NC[C@H]1C[NH2+]CCO1)NCC1(c2cccc(Br)c2)CCCC1 ZINC000563585437 564198248 /nfs/dbraw/zinc/19/82/48/564198248.db2.gz GSAYFUGOCSMMGC-MRXNPFEDSA-N 1 0 396.329 2.549 20 0 GFADRO [NH3+]C[C@@H]1CC[C@H](NC(=O)[C@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)C1 ZINC000449717361 564198708 /nfs/dbraw/zinc/19/87/08/564198708.db2.gz MXURQBXUJXKPKG-PVXIVEMSSA-N 1 0 384.307 2.842 20 0 GFADRO [NH3+]CC[C@@H](NC(=O)[C@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1)C(F)(F)F ZINC000449721597 564198778 /nfs/dbraw/zinc/19/87/78/564198778.db2.gz OSJHMHXIQYUNJH-QPUJVOFHSA-N 1 0 398.212 2.742 20 0 GFADRO C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000449723146 564198891 /nfs/dbraw/zinc/19/88/91/564198891.db2.gz QTEQDZBYTGLUKS-OIBJUYFYSA-N 1 0 386.201 2.508 20 0 GFADRO C[NH+]1CCN(c2ccc(NC(=O)c3ccsc3Br)nc2)CC1 ZINC000449733172 564199189 /nfs/dbraw/zinc/19/91/89/564199189.db2.gz NXJFAKSVLKCDBH-UHFFFAOYSA-N 1 0 381.299 2.910 20 0 GFADRO Cc1ccc(S(=O)(=O)N2CCC([NH2+][C@@H](CO)c3ccsc3)CC2)cc1 ZINC000471606245 564199485 /nfs/dbraw/zinc/19/94/85/564199485.db2.gz MUMYQRXZUCUGJD-SFHVURJKSA-N 1 0 380.535 2.533 20 0 GFADRO C[NH+](C)[C@]1(CNC(=O)N2CC[C@H](Oc3ccccc3Cl)C2)CCSC1 ZINC000506327761 564200947 /nfs/dbraw/zinc/20/09/47/564200947.db2.gz LRPDRPXMVXJTER-KSSFIOAISA-N 1 0 383.945 2.940 20 0 GFADRO CCN(Cc1cc(Br)ccc1F)C(=O)NCCOCC[NH+](C)C ZINC000471639537 564201692 /nfs/dbraw/zinc/20/16/92/564201692.db2.gz YQHYYGDLIQVKHV-UHFFFAOYSA-N 1 0 390.297 2.698 20 0 GFADRO C[NH+](C)CCOCCNC(=O)N1CCC(c2ccccc2Br)CC1 ZINC000471658938 564201717 /nfs/dbraw/zinc/20/17/17/564201717.db2.gz ONVVWVJVGFWNSQ-UHFFFAOYSA-N 1 0 398.345 2.916 20 0 GFADRO Cn1nccc1[C@@H]1OCC[C@H]1C[NH2+]Cc1nc2c(cccc2Br)[nH]1 ZINC000449766889 564202149 /nfs/dbraw/zinc/20/21/49/564202149.db2.gz CIRSTISKDWAMRW-APPDUMDISA-N 1 0 390.285 2.926 20 0 GFADRO CC(=O)c1cc(Br)ccc1OCC(=O)NCC[N@H+]1CCC[C@H](C)C1 ZINC000506514077 564204073 /nfs/dbraw/zinc/20/40/73/564204073.db2.gz CJAXKWOKWJJCBD-ZDUSSCGKSA-N 1 0 397.313 2.879 20 0 GFADRO CC[NH+](CC)CC1CCN(C(=O)c2cc(CS(C)(=O)=O)c(C)s2)CC1 ZINC000471774000 564204317 /nfs/dbraw/zinc/20/43/17/564204317.db2.gz SVCKGLAGJUJQEG-UHFFFAOYSA-N 1 0 386.583 2.795 20 0 GFADRO Cn1ncc(Br)c1C(=O)NC[C@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000449852715 564205352 /nfs/dbraw/zinc/20/53/52/564205352.db2.gz UHTSOUYKYXMVIN-CQSZACIVSA-N 1 0 383.334 2.957 20 0 GFADRO COCC[N@H+](C)CCNC(=O)N[C@@H](C)c1ccc(Br)cc1F ZINC000563757881 564205857 /nfs/dbraw/zinc/20/58/57/564205857.db2.gz WNZSVIWCGCZQHZ-NSHDSACASA-N 1 0 376.270 2.527 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CNC(=O)NCc1nc2c(cccc2Br)[nH]1 ZINC000563792513 564206524 /nfs/dbraw/zinc/20/65/24/564206524.db2.gz FEAUVUWXBCUBEO-NSHDSACASA-N 1 0 380.290 2.609 20 0 GFADRO COc1cc(C[NH2+]Cc2ccnc(SC)c2)cc(Cl)c1OCC(N)=O ZINC000538967306 564206922 /nfs/dbraw/zinc/20/69/22/564206922.db2.gz DQELULRRQDEFIF-UHFFFAOYSA-N 1 0 381.885 2.619 20 0 GFADRO C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1ccc(Br)cc1)C[NH+]1CCN(C)CC1 ZINC000449884264 564207961 /nfs/dbraw/zinc/20/79/61/564207961.db2.gz AZIQPTUZBXGEKR-JCGIZDLHSA-N 1 0 394.357 2.552 20 0 GFADRO CC(C)CSCC[NH2+][C@@H](C)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000539052134 564208512 /nfs/dbraw/zinc/20/85/12/564208512.db2.gz FHTWAJRDIJGJJP-INIZCTEOSA-N 1 0 386.583 2.747 20 0 GFADRO OC[C@@H]([NH2+]C1CCN(c2cnccn2)CC1)c1cccc(Br)c1 ZINC000539058852 564208562 /nfs/dbraw/zinc/20/85/62/564208562.db2.gz MKXIQXBCHOUIGQ-MRXNPFEDSA-N 1 0 377.286 2.531 20 0 GFADRO CC1=CC[N@H+](CCNC(=O)C2=Cc3cc(Br)ccc3OC2)CC1 ZINC000506668093 564209226 /nfs/dbraw/zinc/20/92/26/564209226.db2.gz HBVRPJBCDKEBGH-UHFFFAOYSA-N 1 0 377.282 2.993 20 0 GFADRO Cc1nccn1CCCC[NH2+]C[C@@H](O)COc1cccc(Br)c1 ZINC000563952462 564214922 /nfs/dbraw/zinc/21/49/22/564214922.db2.gz IKSJZOZMEMXXCN-MRXNPFEDSA-N 1 0 382.302 2.764 20 0 GFADRO CC[NH+]1CCC(NS(=O)(=O)c2c(C)cc(Br)cc2C)CC1 ZINC000507023103 564216390 /nfs/dbraw/zinc/21/63/90/564216390.db2.gz SRLQMJJVPDBHNQ-UHFFFAOYSA-N 1 0 375.332 2.829 20 0 GFADRO Cc1cc(Br)cc2c1CN(CCn1nc3ccccn3c1=O)CC2 ZINC000539379255 564217484 /nfs/dbraw/zinc/21/74/84/564217484.db2.gz SUPQLILHTNFFHA-UHFFFAOYSA-N 1 0 387.281 2.625 20 0 GFADRO O=C(NC[C@H]1CCCC[N@H+]1CCO)N[C@H]1CCc2c1cccc2Br ZINC000564053701 564217593 /nfs/dbraw/zinc/21/75/93/564217593.db2.gz IKRURFGHMGCCSR-DYVFJYSZSA-N 1 0 396.329 2.582 20 0 GFADRO C[C@@H]([NH2+]CCOc1cccc(S(C)(=O)=O)c1)c1ccc([S@@](C)=O)cc1 ZINC000539369015 564217839 /nfs/dbraw/zinc/21/78/39/564217839.db2.gz YFPHBYUSIPYFHV-JBEBIEQOSA-N 1 0 381.519 2.557 20 0 GFADRO CC[N@@H+]1C[C@@H](C)N(C(=O)NCCCCn2cc(Br)cn2)C[C@H]1C ZINC000472306165 564219743 /nfs/dbraw/zinc/21/97/43/564219743.db2.gz PMSCPEHYGQWVHW-ZIAGYGMSSA-N 1 0 386.338 2.550 20 0 GFADRO C/C(=C/c1cccc(C(F)(F)F)c1)C[NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000564114437 564221086 /nfs/dbraw/zinc/22/10/86/564221086.db2.gz AQUNLYLMEQJKGI-ODDCISTRSA-N 1 0 376.444 2.980 20 0 GFADRO CC1(C)COCCN1CC[NH2+]Cc1cn(-c2cccc(Cl)c2Cl)nn1 ZINC000539703637 564225814 /nfs/dbraw/zinc/22/58/14/564225814.db2.gz MRMXCBVGYXHDKI-UHFFFAOYSA-N 1 0 384.311 2.775 20 0 GFADRO CC[C@@H]1CN(c2ncnc3cc(Br)ccc32)CC[N@@H+]1CCOC ZINC000450311024 564226729 /nfs/dbraw/zinc/22/67/29/564226729.db2.gz GIWMDASUZLGZPA-CQSZACIVSA-N 1 0 379.302 2.939 20 0 GFADRO COC(=O)c1ccc(S(=O)(=O)NC[C@@H](C)[N@@H+]2CCCC[C@H]2C)c(Cl)c1 ZINC000507393012 564228240 /nfs/dbraw/zinc/22/82/40/564228240.db2.gz VHRZOYGWBIXXKF-CHWSQXEVSA-N 1 0 388.917 2.668 20 0 GFADRO CC[C@@H]1CN(c2ncnc3cc(Br)ccc32)C[C@@H]1[NH+]1CCOCC1 ZINC000450386101 564230849 /nfs/dbraw/zinc/23/08/49/564230849.db2.gz DCYODXFSASXYCB-DYVFJYSZSA-N 1 0 391.313 2.939 20 0 GFADRO CC[NH+](CC)CC[C@@H](CO)NC(=O)c1[nH]c2ccccc2c1Br ZINC000539920278 564232611 /nfs/dbraw/zinc/23/26/11/564232611.db2.gz IOMOXJWVAJXUDB-LBPRGKRZSA-N 1 0 382.302 2.753 20 0 GFADRO O=C(Nc1cnc2c(Br)cccn12)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000564446597 564234953 /nfs/dbraw/zinc/23/49/53/564234953.db2.gz ZTKBRXAVPHTUBK-GFCCVEGCSA-N 1 0 378.274 2.799 20 0 GFADRO Cc1ccc(NC(=O)C(=O)N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)cc1Br ZINC000507637179 564235914 /nfs/dbraw/zinc/23/59/14/564235914.db2.gz AZUZJWCUOZJUGC-DZGCQCFKSA-N 1 0 394.313 2.781 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)C(=O)N1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC000507656181 564237771 /nfs/dbraw/zinc/23/77/71/564237771.db2.gz QOTXRWGJWTXDDS-HIFRSBDPSA-N 1 0 394.313 2.781 20 0 GFADRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)c2cc3cccc(Cl)c3s2)C1 ZINC000564571826 564239916 /nfs/dbraw/zinc/23/99/16/564239916.db2.gz IWDPRHKCGRKIDQ-ZDUSSCGKSA-N 1 0 379.913 2.872 20 0 GFADRO CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+][C@@H](CO)CC(F)(F)F)cc1 ZINC000540154332 564240508 /nfs/dbraw/zinc/24/05/08/564240508.db2.gz YRPAEDAHXAYLAR-GXTWGEPZSA-N 1 0 382.448 2.681 20 0 GFADRO O=C(NC[C@H]1CCCC[N@@H+]1C1CC1)[C@@H]1Cc2cc(Br)ccc2O1 ZINC000473240805 564241481 /nfs/dbraw/zinc/24/14/81/564241481.db2.gz XFOFHRSAQRMMQY-WBVHZDCISA-N 1 0 379.298 2.886 20 0 GFADRO CSC1(CNC(=O)N[C@@H](C)c2ccc([S@@](C)=O)cc2)CC[NH+](C)CC1 ZINC000564618980 564241735 /nfs/dbraw/zinc/24/17/35/564241735.db2.gz CAACCXWOJBVUCW-HWRSSNJWSA-N 1 0 383.583 2.612 20 0 GFADRO CC(C)[NH2+]CCCNC(=O)C(=O)Nc1cc(Cl)ccc1Br ZINC000564641590 564242981 /nfs/dbraw/zinc/24/29/81/564242981.db2.gz YGOSKURIRJDJOW-UHFFFAOYSA-N 1 0 376.682 2.545 20 0 GFADRO C[NH+](C)CC[C@@](C)(O)CNC(=O)COc1cc(Cl)c(Cl)cc1Cl ZINC000473261169 564243095 /nfs/dbraw/zinc/24/30/95/564243095.db2.gz IXYHVMLOQHYGHF-OAHLLOKOSA-N 1 0 383.703 2.845 20 0 GFADRO COc1cc(Br)c(CN(CC[NH+](C)C)C[C@@H]2CCCO2)cc1O ZINC000564686892 564244315 /nfs/dbraw/zinc/24/43/15/564244315.db2.gz KUZQVLOJQVAHEE-AWEZNQCLSA-N 1 0 387.318 2.706 20 0 GFADRO C[C@@H](O)C[N@@H+]1CCN(C(=O)CCCOc2ccccc2Br)[C@@H](C)C1 ZINC000473362775 564244970 /nfs/dbraw/zinc/24/49/70/564244970.db2.gz AMEOQXBAMNBOEZ-LSDHHAIUSA-N 1 0 399.329 2.522 20 0 GFADRO Cc1c(Br)cccc1S(=O)(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000564730367 564247267 /nfs/dbraw/zinc/24/72/67/564247267.db2.gz ZKMWTUYSTFBACL-AWEZNQCLSA-N 1 0 387.343 2.768 20 0 GFADRO CN(CCn1cc(Br)cn1)C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000564761026 564248318 /nfs/dbraw/zinc/24/83/18/564248318.db2.gz HHWABDODHCUERW-AWEZNQCLSA-N 1 0 383.334 2.759 20 0 GFADRO [NH3+]C[C@H]1CCCN(C(=O)C(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000564825252 564250574 /nfs/dbraw/zinc/25/05/74/564250574.db2.gz NYPMNECUQLSLMT-MLGOLLRUSA-N 1 0 384.307 2.854 20 0 GFADRO Cc1ccc(I)c(C(=O)N2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC000564838990 564251886 /nfs/dbraw/zinc/25/18/86/564251886.db2.gz PAEWQQQSRRXOHJ-MRXNPFEDSA-N 1 0 384.261 2.815 20 0 GFADRO O[C@@H](C[NH2+]CCOc1ncccc1F)COc1ccc(Cl)cc1Cl ZINC000564853094 564252932 /nfs/dbraw/zinc/25/29/32/564252932.db2.gz YKOIAERYBGLBQW-LBPRGKRZSA-N 1 0 375.227 2.936 20 0 GFADRO C[C@@H](c1ccccc1)[C@@H](O)C[NH2+]CCNC(=O)c1cccc(Br)c1 ZINC000564849230 564253076 /nfs/dbraw/zinc/25/30/76/564253076.db2.gz RTBTXOPOPHPTEW-KSSFIOAISA-N 1 0 391.309 2.933 20 0 GFADRO C[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1ccc2cc(Br)ccc2c1 ZINC000473907642 564256353 /nfs/dbraw/zinc/25/63/53/564256353.db2.gz CFIWXCNLHZNLCG-OAHLLOKOSA-N 1 0 383.311 2.975 20 0 GFADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C)C1 ZINC000508155191 564256470 /nfs/dbraw/zinc/25/64/70/564256470.db2.gz SNMOAISFSZQPRV-LBPRGKRZSA-N 1 0 381.322 2.741 20 0 GFADRO CO[C@H](C[NH3+])CC(=O)N[C@@H](Cc1ccccn1)c1ccc(Br)cc1 ZINC000564936016 564258143 /nfs/dbraw/zinc/25/81/43/564258143.db2.gz IJWKRBAFZMJDPW-IRXDYDNUSA-N 1 0 392.297 2.608 20 0 GFADRO O=C(CCc1nc2cc(Br)ccc2s1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000564956052 564258942 /nfs/dbraw/zinc/25/89/42/564258942.db2.gz GDRYLECESWSLBG-MFKMUULPSA-N 1 0 380.311 2.812 20 0 GFADRO CCOc1c(Br)cc(C(=O)N[C@@H](CC[NH3+])C(F)F)cc1OC ZINC000564957737 564259195 /nfs/dbraw/zinc/25/91/95/564259195.db2.gz BHMLAJXLQCQKNF-JTQLQIEISA-N 1 0 381.217 2.569 20 0 GFADRO CC[NH+](CC)CCOCCNS(=O)(=O)c1ccc(Cl)c(F)c1Cl ZINC000473948946 564259598 /nfs/dbraw/zinc/25/95/98/564259598.db2.gz LXIQEOOIPMXXAZ-UHFFFAOYSA-N 1 0 387.304 2.769 20 0 GFADRO CS[C@@H]1CN(S(=O)(=O)c2cc(C)c(Cl)s2)C[C@H]1[NH+]1CCCC1 ZINC000473947555 564259658 /nfs/dbraw/zinc/25/96/58/564259658.db2.gz GAENOHPLYNIHQU-VXGBXAGGSA-N 1 0 380.988 2.910 20 0 GFADRO CS[C@H]1CN(S(=O)(=O)c2cc(C)c(Cl)s2)C[C@H]1[NH+]1CCCC1 ZINC000473947549 564259899 /nfs/dbraw/zinc/25/98/99/564259899.db2.gz GAENOHPLYNIHQU-NEPJUHHUSA-N 1 0 380.988 2.910 20 0 GFADRO C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000508329785 564261137 /nfs/dbraw/zinc/26/11/37/564261137.db2.gz IKJOQDYJUAPSSV-ZDUSSCGKSA-N 1 0 388.339 2.903 20 0 GFADRO C[N@@H+]1CCN(CCNC(=O)CCOc2cccc(Cl)c2Cl)CC1(C)C ZINC000508335585 564261164 /nfs/dbraw/zinc/26/11/64/564261164.db2.gz WSJJWJQIBQRSIQ-UHFFFAOYSA-N 1 0 388.339 2.905 20 0 GFADRO O=S(=O)(Cc1ccc(Br)c(F)c1)NCCC[NH+]1CCCCC1 ZINC000450993533 564261370 /nfs/dbraw/zinc/26/13/70/564261370.db2.gz ACNWTHKHDRSDBN-UHFFFAOYSA-N 1 0 393.322 2.884 20 0 GFADRO C[NH2+]CCCN(C)C(=O)c1c(C)nn(-c2ccc(Br)cc2)c1C ZINC000565000769 564262233 /nfs/dbraw/zinc/26/22/33/564262233.db2.gz GNBAMIHTTSUJTL-UHFFFAOYSA-N 1 0 379.302 2.933 20 0 GFADRO COC(=O)C[C@@H](NC(=O)C[NH+]1CCC(C)CC1)c1ccc(Br)cc1 ZINC000474047447 564262323 /nfs/dbraw/zinc/26/23/23/564262323.db2.gz WPYHAQUEHVHEAI-MRXNPFEDSA-N 1 0 397.313 2.901 20 0 GFADRO CN1CC[C@@H]([NH+]2CCC(NC(=O)c3c(Cl)cc(F)cc3Cl)CC2)C1=O ZINC000565023746 564262803 /nfs/dbraw/zinc/26/28/03/564262803.db2.gz FXXYJFQWXHHLKT-CQSZACIVSA-N 1 0 388.270 2.557 20 0 GFADRO CNC(=O)C(C)(C)C[NH2+][C@H](C)CCc1ccc(I)cc1 ZINC000474891443 564292557 /nfs/dbraw/zinc/29/25/57/564292557.db2.gz NEUQWTXAIDENMZ-GFCCVEGCSA-N 1 0 388.293 2.974 20 0 GFADRO CCC[C@@H](C)[C@@H](CO)[NH2+]CCS(=O)(=O)c1cccc(Br)c1 ZINC000565046892 564263971 /nfs/dbraw/zinc/26/39/71/564263971.db2.gz GQNAALLZEKDOAN-IUODEOHRSA-N 1 0 378.332 2.610 20 0 GFADRO CCn1c(CNC(=O)CCc2c[nH]cn2)nc2cc(Br)ccc21 ZINC000508465143 564264068 /nfs/dbraw/zinc/26/40/68/564264068.db2.gz BCAYMZGVFYALHK-UHFFFAOYSA-N 1 0 376.258 2.791 20 0 GFADRO COC(=O)[C@@H]1CC[C@H]1C(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000508535247 564266264 /nfs/dbraw/zinc/26/62/64/564266264.db2.gz RQJIAPLUXCGIDU-HZPDHXFCSA-N 1 0 397.313 2.539 20 0 GFADRO CCC[C@@H]([NH2+]C(C)C)C(=O)NC[C@H](CO)Cc1cccc(Br)c1 ZINC000508573683 564266661 /nfs/dbraw/zinc/26/66/61/564266661.db2.gz WNBQJFKVMGJRBZ-NVXWUHKLSA-N 1 0 385.346 2.883 20 0 GFADRO CC[N@@H+]1CCCN(C(=O)N[C@H]2COc3cc(F)c(Br)cc32)CC1 ZINC000508665046 564269238 /nfs/dbraw/zinc/26/92/38/564269238.db2.gz NYDNAICBZYMBCG-AWEZNQCLSA-N 1 0 386.265 2.759 20 0 GFADRO C[C@H]1CC[N@H+](C)CCN1C(=O)N[C@H]1COc2cc(F)c(Br)cc21 ZINC000508652225 564269379 /nfs/dbraw/zinc/26/93/79/564269379.db2.gz PRAPDFJCHVEXCL-HZMBPMFUSA-N 1 0 386.265 2.757 20 0 GFADRO CC[N@@H+]1CCCN(C(=O)N[C@@H]2COc3cc(F)c(Br)cc32)CC1 ZINC000508665049 564269474 /nfs/dbraw/zinc/26/94/74/564269474.db2.gz NYDNAICBZYMBCG-CQSZACIVSA-N 1 0 386.265 2.759 20 0 GFADRO CN(CC[NH+]1CCCC1)C(=O)N[C@H]1COc2cc(F)c(Br)cc21 ZINC000508666047 564269602 /nfs/dbraw/zinc/26/96/02/564269602.db2.gz PMKYDUADJPIXAV-AWEZNQCLSA-N 1 0 386.265 2.759 20 0 GFADRO CC[C@H](Cc1ccccc1Br)NC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC000541237378 564270951 /nfs/dbraw/zinc/27/09/51/564270951.db2.gz JBEYNHHVXPSSHE-GOEBONIOSA-N 1 0 383.330 2.855 20 0 GFADRO CC(C)Sc1cc(Br)ccc1CN1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000565232889 564272190 /nfs/dbraw/zinc/27/21/90/564272190.db2.gz GFNTVTYQABORHT-HUUCEWRRSA-N 1 0 398.370 2.693 20 0 GFADRO O=S(=O)(NCCCC[NH+]1CCN(c2ccccc2)CC1)c1ccsc1 ZINC000508836881 564274172 /nfs/dbraw/zinc/27/41/72/564274172.db2.gz DOOAMMMEEKFVBU-UHFFFAOYSA-N 1 0 379.551 2.629 20 0 GFADRO CN1CCN(C(=O)c2ccc(I)cc2F)CC1(C)C ZINC000565315621 564275712 /nfs/dbraw/zinc/27/57/12/564275712.db2.gz PAKYHEKTKUPLHY-UHFFFAOYSA-N 1 0 376.213 2.597 20 0 GFADRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)N[C@@H](C)c2ncc(Br)cn2)C1 ZINC000565340727 564277139 /nfs/dbraw/zinc/27/71/39/564277139.db2.gz BJYVRMODQWIRGM-QWHCGFSZSA-N 1 0 384.322 2.577 20 0 GFADRO C[C@H](CCNS(=O)(=O)c1cccc(Br)c1)[NH+]1CCCCC1 ZINC000541393153 564277606 /nfs/dbraw/zinc/27/76/06/564277606.db2.gz LJHLCYLHZRLKAS-CYBMUJFWSA-N 1 0 375.332 2.992 20 0 GFADRO COCCN1CC[C@H]([NH2+][C@H]2CCCN(c3ccc(Cl)cc3Cl)C2=O)C1 ZINC000474426825 564277729 /nfs/dbraw/zinc/27/77/29/564277729.db2.gz LSHLDGFCWMZAJS-HOCLYGCPSA-N 1 0 386.323 2.799 20 0 GFADRO CCO[C@@H](CC[NH+](C)C)CNS(=O)(=O)c1ccc(C(F)(F)F)cc1C ZINC000509177225 564285052 /nfs/dbraw/zinc/28/50/52/564285052.db2.gz FELGZILNLKLXNF-AWEZNQCLSA-N 1 0 382.448 2.649 20 0 GFADRO CCC[C@@H]1C[NH2+]CCN1C(=O)C[C@H](NC(C)=O)c1ccc(Br)cc1 ZINC000565539721 564285706 /nfs/dbraw/zinc/28/57/06/564285706.db2.gz KOSSQVFTJCXFGI-SJORKVTESA-N 1 0 396.329 2.617 20 0 GFADRO C[C@H](C[C@H]1COCC[NH2+]1)N[C@@H](C)c1cc2c(cc1Br)OCCO2 ZINC000565533585 564285711 /nfs/dbraw/zinc/28/57/11/564285711.db2.gz ACNUXMVTFQLUJX-AGIUHOORSA-N 1 0 385.302 2.638 20 0 GFADRO CSc1ccc(OC[C@H](O)C[NH2+]C[C@@H]2CCN(CC(F)(F)F)C2)cc1 ZINC000565593194 564287155 /nfs/dbraw/zinc/28/71/55/564287155.db2.gz FDFAQTSZFLLICG-UONOGXRCSA-N 1 0 378.460 2.622 20 0 GFADRO C[C@H](CCc1ccc(I)cc1)[NH2+][C@H]1CCCN(C)C1=O ZINC000474800652 564289546 /nfs/dbraw/zinc/28/95/46/564289546.db2.gz URURDZFQDVQULY-DOMZBBRYSA-N 1 0 386.277 2.823 20 0 GFADRO Cc1ccc(C(=O)NC(C)(C)CC[NH+]2CCN(C)CC2)cc1Br ZINC000474812313 564290278 /nfs/dbraw/zinc/29/02/78/564290278.db2.gz YTUZZTZZNBTAGG-UHFFFAOYSA-N 1 0 382.346 2.903 20 0 GFADRO O[C@@H](C[NH2+]CCCN1CCN(c2ccccc2Cl)CC1)CC(F)(F)F ZINC000565652307 564290460 /nfs/dbraw/zinc/29/04/60/564290460.db2.gz GJCNWVRISMNGDO-CQSZACIVSA-N 1 0 379.854 2.755 20 0 GFADRO C[C@H]([NH2+]C1CC1)C(=O)Nc1cc(-c2cc(Br)ccc2Cl)[nH]n1 ZINC000565714444 564292813 /nfs/dbraw/zinc/29/28/13/564292813.db2.gz LXWOVOOONFGRRO-QMMMGPOBSA-N 1 0 383.677 3.572 20 0 GFADRO Cc1nc2ccc(Br)cn2c1C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000474898175 564293170 /nfs/dbraw/zinc/29/31/70/564293170.db2.gz GDZNWRIDBIDCTD-KBPBESRZSA-N 1 0 377.286 2.762 20 0 GFADRO COC[C@H](C[NH2+][C@@H](C)CCc1ccc(I)cc1)OC ZINC000474925110 564293554 /nfs/dbraw/zinc/29/35/54/564293554.db2.gz IPDOHEIZAMAREU-WFASDCNBSA-N 1 0 377.266 2.863 20 0 GFADRO Brc1ccc2oc(CN3CC[NH+](C[C@@H]4CCOC4)CC3)nc2c1 ZINC000509345858 564293560 /nfs/dbraw/zinc/29/35/60/564293560.db2.gz ZUZCBPAFMJYXDW-ZDUSSCGKSA-N 1 0 380.286 2.744 20 0 GFADRO COc1ccsc1C[NH2+]CCNS(=O)(=O)c1ccc(F)cc1Cl ZINC000509401066 564296437 /nfs/dbraw/zinc/29/64/37/564296437.db2.gz GSQSMZSRJHBKEM-UHFFFAOYSA-N 1 0 378.878 2.617 20 0 GFADRO C[NH+]1CCC(O)(CNC(=O)CCCCc2ccc(Br)cc2)CC1 ZINC000474984085 564296549 /nfs/dbraw/zinc/29/65/49/564296549.db2.gz FSSYZUKLBAXXLB-UHFFFAOYSA-N 1 0 383.330 2.735 20 0 GFADRO CC(C)(C)c1n[nH]cc1C[NH2+]CCNS(=O)(=O)c1ccc(F)cc1Cl ZINC000509404460 564296948 /nfs/dbraw/zinc/29/69/48/564296948.db2.gz XIRVOGBBPGNLCZ-UHFFFAOYSA-N 1 0 388.896 2.568 20 0 GFADRO Fc1ccc(C[NH2+]CCc2nnnn2-c2ccccc2)c(Br)c1 ZINC000509430832 564298283 /nfs/dbraw/zinc/29/82/83/564298283.db2.gz RSPFYJOQDOQEFG-UHFFFAOYSA-N 1 0 376.233 2.896 20 0 GFADRO C[N@@H+](Cc1ccc([S@@](C)=O)cc1)C[C@@H]1C[C@H](F)CN1Cc1nccs1 ZINC000475088842 564299535 /nfs/dbraw/zinc/29/95/35/564299535.db2.gz BAIAGFCAIQICGQ-DUOCMMSMSA-N 1 0 381.542 2.925 20 0 GFADRO C[C@@H](NC(=O)N1CCC(OCC[NH+](C)C)CC1)c1ccc(Br)cn1 ZINC000475248765 564303823 /nfs/dbraw/zinc/30/38/23/564303823.db2.gz SYGKDWSYDSLPRD-CYBMUJFWSA-N 1 0 399.333 2.657 20 0 GFADRO C[C@H]1C[N@H+](C)[C@@H](C)CN1C(=O)CNC(=O)c1sc2ccccc2c1Cl ZINC000509606011 564305699 /nfs/dbraw/zinc/30/56/99/564305699.db2.gz AUVOCYIWMXWELA-RYUDHWBXSA-N 1 0 379.913 2.836 20 0 GFADRO Cc1ncsc1CC[NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000566005377 564306075 /nfs/dbraw/zinc/30/60/75/564306075.db2.gz HBHWLBPPCOSYBL-CYBMUJFWSA-N 1 0 389.290 2.925 20 0 GFADRO COc1ccc(Br)cc1CC(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000566008590 564306158 /nfs/dbraw/zinc/30/61/58/564306158.db2.gz RDCNINSZUJUYDO-UONOGXRCSA-N 1 0 381.314 2.848 20 0 GFADRO COCCOC[C@H](O)C[NH2+]CC1(c2ccc(Br)cc2)CCCC1 ZINC000566117812 564310571 /nfs/dbraw/zinc/31/05/71/564310571.db2.gz QEIIMXPTVMHUOR-QGZVFWFLSA-N 1 0 386.330 2.874 20 0 GFADRO C[C@H]1CCC[N@H+](CCNS(=O)(=O)c2ccc(Br)cc2F)C1 ZINC000475526952 564310965 /nfs/dbraw/zinc/31/09/65/564310965.db2.gz BNUGCMYFHYGCOM-NSHDSACASA-N 1 0 379.295 2.598 20 0 GFADRO CC[NH+](CC)C[C@@H](C)NS(=O)(=O)Cc1ccc(Br)c(F)c1 ZINC000451422619 564312505 /nfs/dbraw/zinc/31/25/05/564312505.db2.gz BIUNQADIPHAXFD-LLVKDONJSA-N 1 0 381.311 2.738 20 0 GFADRO Cc1cc(Br)cc(NC(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)[C@H]2C)c1 ZINC000509769236 564312688 /nfs/dbraw/zinc/31/26/88/564312688.db2.gz BYFPPCGABJPYGT-CJNGLKHVSA-N 1 0 394.313 2.781 20 0 GFADRO COc1cc(C(F)(F)F)cc(S(=O)(=O)N(C)CC2([NH+](C)C)CCC2)c1 ZINC000451437667 564313347 /nfs/dbraw/zinc/31/33/47/564313347.db2.gz ORFPJOMBNSYMIV-UHFFFAOYSA-N 1 0 380.432 2.819 20 0 GFADRO CC[C@@H]1[NH2+]CC[C@H]1C(=O)N[C@H](C)c1cc2c(cc1Br)OCCO2 ZINC000566171287 564313469 /nfs/dbraw/zinc/31/34/69/564313469.db2.gz FGQBYPFVBDFOMA-GYSYKLTISA-N 1 0 383.286 2.786 20 0 GFADRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)C(=O)Nc1cc(F)ccc1Br ZINC000509786848 564313833 /nfs/dbraw/zinc/31/38/33/564313833.db2.gz FOLDQJJJXANSBJ-NHYWBVRUSA-N 1 0 398.276 2.612 20 0 GFADRO CC[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000566179208 564314476 /nfs/dbraw/zinc/31/44/76/564314476.db2.gz AGMSKFAPSWFTCZ-ZBFHGGJFSA-N 1 0 386.323 2.689 20 0 GFADRO O=C1NCC[C@@H]1[N@H+](CCOc1cccc(Br)c1)C[C@H]1CCCS1 ZINC000475688798 564316599 /nfs/dbraw/zinc/31/65/99/564316599.db2.gz PUORUXUHDITFJY-CVEARBPZSA-N 1 0 399.354 2.914 20 0 GFADRO CC1(C)[C@H]([NH2+]C[C@H](O)COc2ccc(Br)cc2)[C@@H]2CCCO[C@@H]21 ZINC000451481571 564317791 /nfs/dbraw/zinc/31/77/91/564317791.db2.gz RSZQWVIKNUAYKI-LLLHUVSDSA-N 1 0 384.314 2.982 20 0 GFADRO C[C@H]1C[C@@H](C[NH3+])CN1S(=O)(=O)c1ccc2ccccc2c1Br ZINC000566224906 564317949 /nfs/dbraw/zinc/31/79/49/564317949.db2.gz JYVKFQUQXUAVEO-RYUDHWBXSA-N 1 0 383.311 2.960 20 0 GFADRO CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@H](C(=O)OC)c1ccc(Br)cc1 ZINC000475902748 564324024 /nfs/dbraw/zinc/32/40/24/564324024.db2.gz DUAPQWZMIKAHMY-RISCZKNCSA-N 1 0 385.302 2.946 20 0 GFADRO COCC[N@@H+]1CC[C@@H](NC(=O)c2cc(F)c(Br)c(Cl)c2)C1 ZINC000510229412 564328254 /nfs/dbraw/zinc/32/82/54/564328254.db2.gz PFJILASCPIISFD-SNVBAGLBSA-N 1 0 379.657 2.692 20 0 GFADRO C[NH+](C)CCn1ccc(C(=O)NC/C=C/c2ccc(Br)cc2)n1 ZINC000566468609 564328881 /nfs/dbraw/zinc/32/88/81/564328881.db2.gz OUQKGWLAEYRAQO-ONEGZZNKSA-N 1 0 377.286 2.650 20 0 GFADRO COc1ccc(Br)c(C[NH2+][C@@H]2CCC[C@H](S(C)(=O)=O)C2)c1 ZINC000510285822 564329155 /nfs/dbraw/zinc/32/91/55/564329155.db2.gz FCZIMSVTEGQVRM-OCCSQVGLSA-N 1 0 376.316 2.903 20 0 GFADRO CCOC1CC(C[NH2+][C@H](C)c2cncc(Br)c2)(N2CCOCC2)C1 ZINC000566502183 564329397 /nfs/dbraw/zinc/32/93/97/564329397.db2.gz YFICHEYKEPDZOQ-RWBZWWBESA-N 1 0 398.345 2.765 20 0 GFADRO COC(=O)c1ccccc1OCC[NH2+][C@@H](CO)c1ccc(Br)cc1 ZINC000542976925 564334479 /nfs/dbraw/zinc/33/44/79/564334479.db2.gz RNTOVDDMGPWWQF-INIZCTEOSA-N 1 0 394.265 2.938 20 0 GFADRO CCS(=O)(=O)NCCC[N@H+](Cc1cc(Br)ccc1F)C1CC1 ZINC000510565228 564338739 /nfs/dbraw/zinc/33/87/39/564338739.db2.gz LMUMDHYSODWYJC-UHFFFAOYSA-N 1 0 393.322 2.882 20 0 GFADRO C[C@H](Cc1cnccn1)[NH2+][C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000566779665 564342794 /nfs/dbraw/zinc/34/27/94/564342794.db2.gz JNPJEQSVVMOCJX-MLGOLLRUSA-N 1 0 375.270 2.565 20 0 GFADRO O[C@@H](COc1cccc(Br)c1)C[N@@H+]1CC[C@H]2C[C@H](O)CC[C@@H]2C1 ZINC000451716350 564343262 /nfs/dbraw/zinc/34/32/62/564343262.db2.gz UTPNEPGSPXXFIP-XOSAIJSUSA-N 1 0 384.314 2.672 20 0 GFADRO O=S(=O)(N[C@H]1CC[N@@H+](C2CCCC2)C1)c1cccc(Br)c1F ZINC000543245248 564343695 /nfs/dbraw/zinc/34/36/95/564343695.db2.gz AJLAIJVVJHTBNM-NSHDSACASA-N 1 0 391.306 2.883 20 0 GFADRO CC[C@@H]1C[N@H+](CC)CCN1CC(=O)N(C)Cc1ccccc1Br ZINC000451724638 564343931 /nfs/dbraw/zinc/34/39/31/564343931.db2.gz HVWRHSMQCXELRE-MRXNPFEDSA-N 1 0 382.346 2.824 20 0 GFADRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)[C@@H](c1ccc(Br)cc1)N1CCCC1 ZINC000566854766 564346564 /nfs/dbraw/zinc/34/65/64/564346564.db2.gz LTKKWQPMUIEHCZ-KBRIMQKVSA-N 1 0 380.330 2.700 20 0 GFADRO CCN(C)C(=O)CC[N@H+](CCn1ccnc1)Cc1ccc(Br)o1 ZINC000510934144 564350873 /nfs/dbraw/zinc/35/08/73/564350873.db2.gz QJCNLGBGOHZAEK-UHFFFAOYSA-N 1 0 383.290 2.609 20 0 GFADRO Cc1cccc(I)c1C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000476718946 564352183 /nfs/dbraw/zinc/35/21/83/564352183.db2.gz CGZSZPUYINOTST-UHFFFAOYSA-N 1 0 384.261 2.767 20 0 GFADRO O=C([C@H]1CCc2cc(Br)ccc21)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000566976887 564352443 /nfs/dbraw/zinc/35/24/43/564352443.db2.gz PXICJZZEVWPMEC-KSSFIOAISA-N 1 0 393.325 2.660 20 0 GFADRO C[C@@H]([NH2+]CC(=O)N(C)CCOc1ccc(Br)cc1)[C@H]1CCCOC1 ZINC000543508201 564353339 /nfs/dbraw/zinc/35/33/39/564353339.db2.gz IPEDHTQYBZQNEH-CABCVRRESA-N 1 0 399.329 2.691 20 0 GFADRO CCSc1cccc(Br)c1NC(=O)NCC[N@H+](CC)CCO ZINC000567034817 564354367 /nfs/dbraw/zinc/35/43/67/564354367.db2.gz LCQJYZQWMKIKRR-UHFFFAOYSA-N 1 0 390.347 2.997 20 0 GFADRO C[C@H](O)C[N@@H+]1CCN(C(=O)CCOc2ccc(Cl)c(Cl)c2)[C@H](C)C1 ZINC000476823266 564354548 /nfs/dbraw/zinc/35/45/48/564354548.db2.gz GNWMQPGMPLWUOG-OLZOCXBDSA-N 1 0 375.296 2.676 20 0 GFADRO C[NH+](C)C1CN(C(=O)Nc2cc(Br)ccc2Br)C1 ZINC000543574854 564355177 /nfs/dbraw/zinc/35/51/77/564355177.db2.gz RKWVTYCTTLQQLB-UHFFFAOYSA-N 1 0 377.080 2.989 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CC[NH2+]Cc1ccc(C(N)=O)cc1 ZINC000543624197 564355967 /nfs/dbraw/zinc/35/59/67/564355967.db2.gz SVYGRURXZWRGCF-UHFFFAOYSA-N 1 0 390.281 2.975 20 0 GFADRO Cn1nccc1[C@H]1C[C@H]([NH2+]Cc2cnc3ccc(Br)cn23)CCO1 ZINC000567071308 564356464 /nfs/dbraw/zinc/35/64/64/564356464.db2.gz DVFZLXGYXSUGTL-CZUORRHYSA-N 1 0 390.285 2.840 20 0 GFADRO Cn1nccc1[C@@H]1C[C@H]([NH2+]Cc2cnc3ccc(Br)cn23)CCO1 ZINC000567071307 564356633 /nfs/dbraw/zinc/35/66/33/564356633.db2.gz DVFZLXGYXSUGTL-CJNGLKHVSA-N 1 0 390.285 2.840 20 0 GFADRO OC[C@H]1CCN(Cc2ccccc2)C[C@H]1[NH2+]Cc1ccc(Br)cn1 ZINC000567148065 564359248 /nfs/dbraw/zinc/35/92/48/564359248.db2.gz BFLBWBPUQSNMKI-VQIMIIECSA-N 1 0 390.325 2.817 20 0 GFADRO CO[C@H]1C[C@H]2C[C@H]([NH2+]C[C@H]3CCN(S(=O)(=O)c4cccs4)C3)C[C@H]2C1 ZINC000567159765 564360085 /nfs/dbraw/zinc/36/00/85/564360085.db2.gz KSOVQTQPUXEEGE-NRKLIOEPSA-N 1 0 384.567 2.552 20 0 GFADRO O[C@H](C[NH2+]CC1(c2cccc(Br)c2)CCCC1)CN1CCOCC1 ZINC000567161034 564360472 /nfs/dbraw/zinc/36/04/72/564360472.db2.gz JOCPOMPWQUTEGN-GOSISDBHSA-N 1 0 397.357 2.544 20 0 GFADRO C[C@@H](CNS(=O)(=O)c1cccc(OC(F)(F)F)c1)C[NH+]1CCCCC1 ZINC000511164215 564360622 /nfs/dbraw/zinc/36/06/22/564360622.db2.gz DZVUJRWCRDQNBN-ZDUSSCGKSA-N 1 0 380.432 2.986 20 0 GFADRO COc1ccc(Cl)cc1NCC(=O)N1C[C@@H](SC)[C@H]([NH+]2CCCC2)C1 ZINC000543701363 564360854 /nfs/dbraw/zinc/36/08/54/564360854.db2.gz PQKKOGPATKZTPR-NVXWUHKLSA-N 1 0 383.945 2.799 20 0 GFADRO CCCN(CC[NH+]1CCCC1)S(=O)(=O)c1cc2c(cc1Cl)OCCO2 ZINC000511239298 564363763 /nfs/dbraw/zinc/36/37/63/564363763.db2.gz HAVDZIVUTRHDHG-UHFFFAOYSA-N 1 0 388.917 2.608 20 0 GFADRO CS[C@H]1CN(S(=O)(=O)c2cccc(C(F)(F)F)c2)C[C@@H]1[NH+]1CCCC1 ZINC000477138793 564366097 /nfs/dbraw/zinc/36/60/97/564366097.db2.gz HQXLEQQXLXVFLP-GJZGRUSLSA-N 1 0 394.484 2.906 20 0 GFADRO COc1cc(C)c(S(=O)(=O)N2C[C@@H](SC)[C@H]([NH+]3CCCC3)C2)cc1C ZINC000477137145 564366209 /nfs/dbraw/zinc/36/62/09/564366209.db2.gz LDXKWBORKLPAOP-NVXWUHKLSA-N 1 0 384.567 2.512 20 0 GFADRO CS[C@@H]1CN(S(=O)(=O)c2ccc3c(c2)CCCC3)C[C@H]1[NH+]1CCCC1 ZINC000477142696 564367026 /nfs/dbraw/zinc/36/70/26/564367026.db2.gz VKDQMUVYPCLUEG-RTBURBONSA-N 1 0 380.579 2.766 20 0 GFADRO Cc1c(Br)cccc1C[C@@H](CO)CNC(=O)CCCC[NH+](C)C ZINC000567344701 564367722 /nfs/dbraw/zinc/36/77/22/564367722.db2.gz BPSXXTMGMYZPGR-OAHLLOKOSA-N 1 0 385.346 2.757 20 0 GFADRO [NH3+]C1CCC(OCC(=O)N2CCO[C@@H](c3cccc(Br)c3)C2)CC1 ZINC000567349610 564367825 /nfs/dbraw/zinc/36/78/25/564367825.db2.gz XBUHHUCFYFFDCO-OFLPRAFFSA-N 1 0 397.313 2.636 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S(=O)(=O)CC[NH2+]CC1CC(C)(C)C1 ZINC000567346727 564368274 /nfs/dbraw/zinc/36/82/74/564368274.db2.gz YDBVVUZKSXHGDA-UHFFFAOYSA-N 1 0 387.567 2.670 20 0 GFADRO C[NH2+]C[C@@H]1CCCN(S(=O)(=O)c2cc(C)c(Br)cc2F)C1 ZINC000567351476 564368325 /nfs/dbraw/zinc/36/83/25/564368325.db2.gz PMYBXRPEFAFNSD-NSHDSACASA-N 1 0 379.295 2.517 20 0 GFADRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc(F)c(I)c1 ZINC000477314970 564373240 /nfs/dbraw/zinc/37/32/40/564373240.db2.gz BGTVHWVVXLXTMG-UONOGXRCSA-N 1 0 388.224 2.787 20 0 GFADRO C[C@@H]1CC[NH2+][C@H](C(=O)NC[C@@H]2CCN(c3cccc(Br)c3)C2)C1 ZINC000567504095 564374425 /nfs/dbraw/zinc/37/44/25/564374425.db2.gz AOCUNHYROGZULG-KEYYUXOJSA-N 1 0 380.330 2.780 20 0 GFADRO Cc1ccccc1CNC(=O)C[NH2+][C@@](C)(CO)c1ccc(Br)cc1 ZINC000511608704 564377229 /nfs/dbraw/zinc/37/72/29/564377229.db2.gz DNGDITYKBNEAMF-IBGZPJMESA-N 1 0 391.309 2.871 20 0 GFADRO C[C@](CO)([NH2+]CC(=O)NCc1ccc(F)cc1)c1ccc(Br)cc1 ZINC000511625764 564377558 /nfs/dbraw/zinc/37/75/58/564377558.db2.gz SNVSGWMJBJWZHX-GOSISDBHSA-N 1 0 395.272 2.702 20 0 GFADRO CC1CCC(NC(=O)C[NH2+][C@](C)(CO)c2ccc(Br)cc2)CC1 ZINC000511606064 564377668 /nfs/dbraw/zinc/37/76/68/564377668.db2.gz SSWLOWZBBXSQCK-PVCYVWKFSA-N 1 0 383.330 2.941 20 0 GFADRO C[N@H+](CCc1ccccc1O)Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000544189037 564378031 /nfs/dbraw/zinc/37/80/31/564378031.db2.gz BJPVQCRMFNTJIB-UHFFFAOYSA-N 1 0 388.265 2.837 20 0 GFADRO COCc1ccccc1/C=C(/C)C[NH2+]CCNS(=O)(=O)c1cccs1 ZINC000511735922 564381247 /nfs/dbraw/zinc/38/12/47/564381247.db2.gz FUGCQIKSRQAJMK-QINSGFPZSA-N 1 0 380.535 2.866 20 0 GFADRO COc1cc(Br)ccc1CCCNC(=O)NCC1=CC[N@H+](C)CC1 ZINC000544328979 564381803 /nfs/dbraw/zinc/38/18/03/564381803.db2.gz VIAUHYBYWILGHN-UHFFFAOYSA-N 1 0 396.329 2.951 20 0 GFADRO Ic1cccc2ncnc(N3CC[NH+](CC4CC4)CC3)c12 ZINC000544365606 564384115 /nfs/dbraw/zinc/38/41/15/564384115.db2.gz NCWHUXVZKDCAMQ-UHFFFAOYSA-N 1 0 394.260 2.766 20 0 GFADRO Brc1cnc(CN2CC[N@@H+]3CCC[C@@H]3C2)c(Br)c1 ZINC000544404735 564385926 /nfs/dbraw/zinc/38/59/26/564385926.db2.gz OIPIKHIBIFKTEF-LLVKDONJSA-N 1 0 375.108 2.887 20 0 GFADRO CC[NH+]1CCC(NC(=O)CN2CCc3c(Br)ccc(F)c3C2)CC1 ZINC000544531244 564387902 /nfs/dbraw/zinc/38/79/02/564387902.db2.gz VGIFBTCBDGIRFP-UHFFFAOYSA-N 1 0 398.320 2.547 20 0 GFADRO CC[NH+](CC)CCOCCNC(=O)C(=O)Nc1cc(Cl)c(C)c(Cl)c1 ZINC000544563903 564389037 /nfs/dbraw/zinc/38/90/37/564389037.db2.gz APXKXIOROSNOEC-UHFFFAOYSA-N 1 0 390.311 2.715 20 0 GFADRO CC[NH+](CC)CCOCCNC(=O)Cc1c[nH]c2cccc(Br)c12 ZINC000544586262 564389296 /nfs/dbraw/zinc/38/92/96/564389296.db2.gz IWSHNLPUSQJWSN-UHFFFAOYSA-N 1 0 396.329 2.948 20 0 GFADRO CC(C)(C[NH+]1CCCC1)NS(=O)(=O)Cc1ccc(Br)cc1 ZINC000452083775 564389424 /nfs/dbraw/zinc/38/94/24/564389424.db2.gz LZGCMKDEQDZENS-UHFFFAOYSA-N 1 0 375.332 2.743 20 0 GFADRO O=C(Nc1cnn(-c2ccccc2Br)c1)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000567818941 564390816 /nfs/dbraw/zinc/39/08/16/564390816.db2.gz ARXAMUDQSGMELC-SJKOYZFVSA-N 1 0 375.270 2.963 20 0 GFADRO CC(C)[N@@H+]1CCC[C@@H](CNCc2ncc(I)s2)C1 ZINC000512083204 564391262 /nfs/dbraw/zinc/39/12/62/564391262.db2.gz NZFMIYRBZFGWMY-NSHDSACASA-N 1 0 379.311 2.958 20 0 GFADRO COc1ccc(Br)cc1CC(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000477953706 564391467 /nfs/dbraw/zinc/39/14/67/564391467.db2.gz FMKGGFSKRSQXKC-UHFFFAOYSA-N 1 0 381.314 2.992 20 0 GFADRO CC(C)[N@H+](CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl)C1CC(C)(C)C1 ZINC000452098722 564392134 /nfs/dbraw/zinc/39/21/34/564392134.db2.gz BBKQYXVDJLBXBZ-UHFFFAOYSA-N 1 0 387.933 2.825 20 0 GFADRO [NH3+]C1(CNS(=O)(=O)c2cc(Br)cc(C(F)(F)F)c2)CCC1 ZINC000567852509 564392703 /nfs/dbraw/zinc/39/27/03/564392703.db2.gz CMGORLYZCNYAEX-UHFFFAOYSA-N 1 0 387.221 2.628 20 0 GFADRO COc1ccc(Br)c(S(=O)(=O)N(C)[C@@H]2CC[N@@H+](C(C)C)C2)c1 ZINC000452101457 564393180 /nfs/dbraw/zinc/39/31/80/564393180.db2.gz GRQLPXNCRZNKDK-GFCCVEGCSA-N 1 0 391.331 2.561 20 0 GFADRO CC(C)[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2cccc(Br)c2F)C1 ZINC000452109421 564393529 /nfs/dbraw/zinc/39/35/29/564393529.db2.gz YHDUMGWXWQWMSU-NSHDSACASA-N 1 0 379.295 2.691 20 0 GFADRO CN(Cc1cc(Br)cs1)C(=O)CN1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000567891291 564394973 /nfs/dbraw/zinc/39/49/73/564394973.db2.gz XKJYFSFSDPLSAE-NILFDRSVSA-N 1 0 386.359 2.528 20 0 GFADRO CCC[C@@H]([NH2+]C(C)C)C(=O)N[C@H](CO)c1ccc(Br)c(F)c1 ZINC000452123225 564395258 /nfs/dbraw/zinc/39/52/58/564395258.db2.gz MKFAABMMRHKKDH-HUUCEWRRSA-N 1 0 375.282 2.905 20 0 GFADRO CCO[C@H](CC[NH+](C)C)CNC(=O)[C@@H]1CCc2cc(Br)ccc21 ZINC000567941318 564396962 /nfs/dbraw/zinc/39/69/62/564396962.db2.gz QVZGFXWTHDATMD-NVXWUHKLSA-N 1 0 383.330 2.952 20 0 GFADRO Cc1[nH+]ccc(N2CCN(S(=O)(=O)N(C)C3CCCCC3)CC2)c1Cl ZINC000478250855 564397482 /nfs/dbraw/zinc/39/74/82/564397482.db2.gz IUGDFWITUAFHPI-UHFFFAOYSA-N 1 0 386.949 2.675 20 0 GFADRO O=C(Cn1cc(Br)cn1)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000512351818 564398475 /nfs/dbraw/zinc/39/84/75/564398475.db2.gz DXFPAPUYBYKFGH-UHFFFAOYSA-N 1 0 391.313 2.948 20 0 GFADRO O=C(N[C@H](CO)C[NH+]1CCCCC1)c1cc2c(cc(Br)cc2F)[nH]1 ZINC000512370545 564399709 /nfs/dbraw/zinc/39/97/09/564399709.db2.gz SSEUZWLSUWCCEB-LBPRGKRZSA-N 1 0 398.276 2.646 20 0 GFADRO COc1cc(C[NH2+]C[C@@H]2CCCS(=O)(=O)C2)ccc1OCC(F)(F)F ZINC000568026186 564401330 /nfs/dbraw/zinc/40/13/30/564401330.db2.gz AOZIMEQEZDGUDE-ZDUSSCGKSA-N 1 0 381.416 2.551 20 0 GFADRO Cc1cc(F)c(Br)cc1S(=O)(=O)NC1(C[NH+](C)C)CCC1 ZINC000544864383 564402651 /nfs/dbraw/zinc/40/26/51/564402651.db2.gz DLBYXUBAWQIBPE-UHFFFAOYSA-N 1 0 379.295 2.659 20 0 GFADRO C[N@@H+]1CCC[C@@H](CCNC(=O)[C@H]2CC(=O)Nc3ccc(Br)cc32)C1 ZINC000568041940 564402702 /nfs/dbraw/zinc/40/27/02/564402702.db2.gz TVRRLKMJWNBMCH-WFASDCNBSA-N 1 0 394.313 2.723 20 0 GFADRO CCOc1cc(C[NH2+]C[C@H](O)COCC(C)C)cc(Br)c1O ZINC000568125046 564405294 /nfs/dbraw/zinc/40/52/94/564405294.db2.gz ZRNDKCVXNJVBIH-ZDUSSCGKSA-N 1 0 376.291 2.677 20 0 GFADRO C[C@@H]1[C@H]([N@H+](C)CCO)CCN1C(=O)c1cc(Cl)c(F)cc1Br ZINC000452349779 564406750 /nfs/dbraw/zinc/40/67/50/564406750.db2.gz BTKGBBCGPSOUSR-YMTOWFKASA-N 1 0 393.684 2.769 20 0 GFADRO CCN1CCN(S(=O)(=O)c2cccc(NCc3ccc(C)s3)c2)CC1 ZINC000512657455 564407518 /nfs/dbraw/zinc/40/75/18/564407518.db2.gz CXSCQIGRSIRVRS-UHFFFAOYSA-N 1 0 379.551 2.995 20 0 GFADRO C[C@@H](Oc1cc(Cl)cc(Cl)c1)C(=O)NC[C@H]1CCC[N@@H+]1CCCO ZINC000452355857 564408231 /nfs/dbraw/zinc/40/82/31/564408231.db2.gz ZCYMZDZXCQGCJZ-IUODEOHRSA-N 1 0 375.296 2.724 20 0 GFADRO Cc1ccc(C(=O)NCC[N@H+]2CC=C(C)CC2)cc1I ZINC000545161034 564409898 /nfs/dbraw/zinc/40/98/98/564409898.db2.gz GIBBOXRXNRWWCV-UHFFFAOYSA-N 1 0 384.261 2.981 20 0 GFADRO Cc1cc(CCC(=O)N[C@H]2CCC[N@H+](CCCO)C2)ccc1Br ZINC000452375546 564410010 /nfs/dbraw/zinc/41/00/10/564410010.db2.gz AIPSNGNAASJCQW-INIZCTEOSA-N 1 0 383.330 2.653 20 0 GFADRO O=C(N[C@@H]1CCC[N@@H+](CCCO)C1)C1(c2ccc(Br)cc2)CCC1 ZINC000452384458 564411172 /nfs/dbraw/zinc/41/11/72/564411172.db2.gz RLFROXPDJGGITM-QGZVFWFLSA-N 1 0 395.341 2.834 20 0 GFADRO C[N@@H+]1CC[C@](O)(CNC(=O)Nc2ccc(Br)c(Cl)c2Cl)C1 ZINC000545169348 564411398 /nfs/dbraw/zinc/41/13/98/564411398.db2.gz LCYLROWBEOFTDO-ZDUSSCGKSA-N 1 0 397.100 2.944 20 0 GFADRO O=C(N[C@@H]1CCC[N@@H+](CCCO)C1)c1cc(F)c(Br)c(Cl)c1 ZINC000452382431 564411554 /nfs/dbraw/zinc/41/15/54/564411554.db2.gz LZHWPSYVWGRMNS-LLVKDONJSA-N 1 0 393.684 2.818 20 0 GFADRO CC(C)Oc1cc(Br)cc(C(=O)NC[C@@H]2CCCC[N@@H+]2CCO)c1 ZINC000452397046 564413815 /nfs/dbraw/zinc/41/38/15/564413815.db2.gz ZCDUJLGTBHAGIB-INIZCTEOSA-N 1 0 399.329 2.813 20 0 GFADRO COc1cc(OC)c(S(=O)(=O)N2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc1Cl ZINC000568375339 564416313 /nfs/dbraw/zinc/41/63/13/564416313.db2.gz HEHGLDXXCAZJID-TZMCWYRMSA-N 1 0 388.917 2.510 20 0 GFADRO CS(=O)(=O)N1CCCC[C@H]1C[NH2+]Cc1c(Cl)cccc1N1CCCC1 ZINC000512995329 564416998 /nfs/dbraw/zinc/41/69/98/564416998.db2.gz AHEKEVXOIIQVDU-HNNXBMFYSA-N 1 0 385.961 2.844 20 0 GFADRO CCn1c(CNC(=O)NCC[N@H+](C)C(C)C)nc2cc(Br)ccc21 ZINC000478883256 564417275 /nfs/dbraw/zinc/41/72/75/564417275.db2.gz KETZBONCVUHHAF-UHFFFAOYSA-N 1 0 396.333 2.958 20 0 GFADRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(OC)c(O)cc2Br)[C@@]12CCCO2 ZINC000545349872 564417552 /nfs/dbraw/zinc/41/75/52/564417552.db2.gz XJMRCZLHGNWDRB-ZACQAIPSSA-N 1 0 386.286 2.980 20 0 GFADRO COC(=O)C[C@@](C)([NH2+]CCN1CCOC[C@@H]1C)c1ccc(Br)cc1 ZINC000513123904 564420770 /nfs/dbraw/zinc/42/07/70/564420770.db2.gz XTPJPTIZYKPGJM-KBXCAEBGSA-N 1 0 399.329 2.538 20 0 GFADRO CCN(CC)C(=O)C[NH2+][C@](C)(CC(=O)OC)c1ccc(Br)cc1 ZINC000513145382 564421649 /nfs/dbraw/zinc/42/16/49/564421649.db2.gz SEBHIVREYQRKNJ-QGZVFWFLSA-N 1 0 385.302 2.685 20 0 GFADRO CC[C@@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1ccc(Cl)cc1C(=O)OC ZINC000513170962 564423078 /nfs/dbraw/zinc/42/30/78/564423078.db2.gz NVRNAZOTGFKQEZ-CQSZACIVSA-N 1 0 388.917 2.669 20 0 GFADRO CC(C)[N@@H+]1CCCN(C(=O)C(=O)NCCc2c(Cl)cccc2Cl)CC1 ZINC000479043897 564423521 /nfs/dbraw/zinc/42/35/21/564423521.db2.gz BAYUVPJLYXWMDW-UHFFFAOYSA-N 1 0 386.323 2.595 20 0 GFADRO O=C(NCCC[NH+]1CCCCC1)c1ccc(I)c(O)c1 ZINC000545461840 564424529 /nfs/dbraw/zinc/42/45/29/564424529.db2.gz FZFTUTOKDQBSTH-UHFFFAOYSA-N 1 0 388.249 2.603 20 0 GFADRO C[NH+](C)[C@H]1CCOc2c(NC(=O)c3csc(S(C)(=O)=O)c3)cccc21 ZINC000568595091 564426033 /nfs/dbraw/zinc/42/60/33/564426033.db2.gz QOQHRFTZYCHKPG-AWEZNQCLSA-N 1 0 380.491 2.789 20 0 GFADRO CC(=O)Nc1ccc(S(=O)(=O)NCCC[NH+]2CCC(C)CC2)cc1Cl ZINC000479179212 564430154 /nfs/dbraw/zinc/43/01/54/564430154.db2.gz HYRYGGBGGQRUBJ-UHFFFAOYSA-N 1 0 387.933 2.699 20 0 GFADRO O=C(N[C@H]1CCC[N@@H+](CCCO)C1)c1[nH]c2ccccc2c1Br ZINC000452795633 564432608 /nfs/dbraw/zinc/43/26/08/564432608.db2.gz KKBUMISYTMSATO-LBPRGKRZSA-N 1 0 380.286 2.507 20 0 GFADRO CC(=O)c1cc(Br)ccc1OCC(=O)N1CCN(C)C[C@@H]1C(C)C ZINC000513594640 564433087 /nfs/dbraw/zinc/43/30/87/564433087.db2.gz CHTDFIQAUZGNGB-MRXNPFEDSA-N 1 0 397.313 2.829 20 0 GFADRO Cc1[nH]c(=O)c(C(=O)Nc2ccc3c(c2F)CC[NH2+]C3)cc1Br ZINC000568747909 564433285 /nfs/dbraw/zinc/43/32/85/564433285.db2.gz STSSNSDFTRTRFK-UHFFFAOYSA-N 1 0 380.217 2.895 20 0 GFADRO O=S(=O)(c1ccc(CC(F)(F)F)cc1)N1CCC2(CC[NH2+]CC2)CC1 ZINC000568761094 564433446 /nfs/dbraw/zinc/43/34/46/564433446.db2.gz KGLZEURIPVHWGA-UHFFFAOYSA-N 1 0 376.444 2.946 20 0 GFADRO O=C(N[C@H]1CC[N@@H+](C2CC2)C1)C1(c2ccc(Br)cc2)CCOCC1 ZINC000513599999 564434125 /nfs/dbraw/zinc/43/41/25/564434125.db2.gz SEZKWEACVREUST-INIZCTEOSA-N 1 0 393.325 2.850 20 0 GFADRO CCN(CC)S(=O)(=O)CC[NH2+][C@@H](C)Cc1ccc(Br)cc1 ZINC000479282597 564434394 /nfs/dbraw/zinc/43/43/94/564434394.db2.gz OAFDRXRQLHAGKH-ZDUSSCGKSA-N 1 0 377.348 2.641 20 0 GFADRO CC(C)[N@H+](C)CCCNC(=O)C(=O)Nc1ccc(Cl)cc1Br ZINC000479302336 564435307 /nfs/dbraw/zinc/43/53/07/564435307.db2.gz STJJAYRSCQBNJQ-UHFFFAOYSA-N 1 0 390.709 2.888 20 0 GFADRO O=C(NCc1cc(Br)cc2c1OCC2)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000545900860 564436713 /nfs/dbraw/zinc/43/67/13/564436713.db2.gz HZIUZDJLQBZZFC-JKSUJKDBSA-N 1 0 394.313 2.810 20 0 GFADRO C[C@@H](NCC[NH+]1CCCCC1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000479333913 564436736 /nfs/dbraw/zinc/43/67/36/564436736.db2.gz IFIWPWNNDJMKPX-LLVKDONJSA-N 1 0 380.341 2.777 20 0 GFADRO Cn1nc(CC[NH2+]Cc2c(Cl)cccc2S(C)(=O)=O)c2ccccc21 ZINC000479384779 564438272 /nfs/dbraw/zinc/43/82/72/564438272.db2.gz CCOMWHIMEOKKLQ-UHFFFAOYSA-N 1 0 377.897 2.963 20 0 GFADRO C[C@H]([NH2+]CCC(=O)NC(C)(C)C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000479398162 564438810 /nfs/dbraw/zinc/43/88/10/564438810.db2.gz YCHKKSVDCRCBRP-VIFPVBQESA-N 1 0 396.340 2.596 20 0 GFADRO [NH3+]CC[C@@H]1CCCCN1S(=O)(=O)c1cc(F)c(Br)cc1F ZINC000569004174 564444342 /nfs/dbraw/zinc/44/43/42/564444342.db2.gz XZTHKEDOUUXADA-VIFPVBQESA-N 1 0 383.258 2.619 20 0 GFADRO C[NH+]1CCN(c2cccc(C(=O)NCc3ccsc3Br)n2)CC1 ZINC000514007357 564444773 /nfs/dbraw/zinc/44/47/73/564444773.db2.gz HBPKTRZEENVWII-UHFFFAOYSA-N 1 0 395.326 2.587 20 0 GFADRO CC(C)[C@@H](Cn1cccn1)[NH2+]CCNC(=O)c1ccc(Br)cc1 ZINC000453079227 564445669 /nfs/dbraw/zinc/44/56/69/564445669.db2.gz YYUIRCMNMBZYKG-MRXNPFEDSA-N 1 0 379.302 2.690 20 0 GFADRO NC(=O)[C@H]1CCCN1CCC[NH2+][C@@H](Cc1ccccc1Br)C1CC1 ZINC000453111550 564446808 /nfs/dbraw/zinc/44/68/08/564446808.db2.gz OVRZNFOWRWAQIC-ZWKOTPCHSA-N 1 0 394.357 2.700 20 0 GFADRO C[C@H]([NH2+]CCCS(C)(=O)=O)c1ccc(F)c(I)c1 ZINC000453103439 564446887 /nfs/dbraw/zinc/44/68/87/564446887.db2.gz CHGRTCJLJHICIR-VIFPVBQESA-N 1 0 385.242 2.516 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCC(=O)N[C@@H]1C)c1ccc(F)c(I)c1 ZINC000453208417 564449393 /nfs/dbraw/zinc/44/93/93/564449393.db2.gz HEUIDHDSAFNWBO-IGJMFERPSA-N 1 0 376.213 2.748 20 0 GFADRO O=C(N[C@@H]1C[NH2+]C[C@H]1c1ccccc1)[C@H]1COc2ccc(Br)cc21 ZINC000569110859 564450134 /nfs/dbraw/zinc/45/01/34/564450134.db2.gz RXSUOGIJFJHIMZ-YESZJQIVSA-N 1 0 387.277 2.797 20 0 GFADRO C[C@H]([NH2+][C@H]1CCC(=O)N[C@@H]1C)c1ccc(F)c(I)c1 ZINC000453208420 564450198 /nfs/dbraw/zinc/45/01/98/564450198.db2.gz HEUIDHDSAFNWBO-RWEMILLDSA-N 1 0 376.213 2.748 20 0 GFADRO COCCOC1(C[NH2+][C@H](C)c2ncc(Br)s2)CCOCC1 ZINC000453254481 564451193 /nfs/dbraw/zinc/45/11/93/564451193.db2.gz ADHOTAHSOIAYDQ-LLVKDONJSA-N 1 0 379.320 2.768 20 0 GFADRO CC[C@H](CNS(C)(=O)=O)[NH2+][C@H](Cc1cccnc1)c1cccc(Cl)c1 ZINC000453279582 564452061 /nfs/dbraw/zinc/45/20/61/564452061.db2.gz IZVJIBLCLCLEJZ-QZTJIDSGSA-N 1 0 381.929 2.936 20 0 GFADRO CC(C)[N@@H+]1CCC[C@@H](NC(=O)c2cccnc2-n2cc(Br)cn2)C1 ZINC000569196432 564452440 /nfs/dbraw/zinc/45/24/40/564452440.db2.gz GQCDTJQNBVZNLF-CQSZACIVSA-N 1 0 392.301 2.632 20 0 GFADRO CC(C)[N@@H+](C)C[C@H](C)NC(=O)Cc1cc2c(cc1Br)OCCO2 ZINC000569179084 564452674 /nfs/dbraw/zinc/45/26/74/564452674.db2.gz RSYQEXPSHIPMQB-LBPRGKRZSA-N 1 0 385.302 2.608 20 0 GFADRO C[C@H]([NH2+]CCN1C[C@H]2CC[C@@H](C1)O2)c1ccc(I)cc1 ZINC000453323135 564453125 /nfs/dbraw/zinc/45/31/25/564453125.db2.gz ANJDVAMEWNZHSN-VBNZEHGJSA-N 1 0 386.277 2.805 20 0 GFADRO CO[C@H]1CCN(C(=O)CCSc2ccccc2Br)[C@H](C[NH3+])C1 ZINC000569213151 564453570 /nfs/dbraw/zinc/45/35/70/564453570.db2.gz WLVFWSHTYSAWME-STQMWFEESA-N 1 0 387.343 2.896 20 0 GFADRO O=C(CC[N@@H+]1CCC[C@H](N2CCOCC2)C1)Nc1cccc(Br)c1 ZINC000569235487 564454750 /nfs/dbraw/zinc/45/47/50/564454750.db2.gz VVEYYVSLWYRMQM-KRWDZBQOSA-N 1 0 396.329 2.574 20 0 GFADRO CC[C@@H]([NH2+]CCc1cnc(C)cn1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000453396383 564455681 /nfs/dbraw/zinc/45/56/81/564455681.db2.gz INADFRKFRMRFFM-MRXNPFEDSA-N 1 0 382.917 2.630 20 0 GFADRO Cc1c([C@@H](C)[NH2+]C[C@]2(C)CCC(=O)N2)nnn1-c1cccc(Br)c1 ZINC000453405350 564456808 /nfs/dbraw/zinc/45/68/08/564456808.db2.gz QJLXYYNDEAGRMR-DIFFPNOSSA-N 1 0 392.301 2.658 20 0 GFADRO C[C@H]([NH2+]C[C@@]1(C)CCC(=O)N1)c1ccc(F)c(I)c1 ZINC000453433524 564457676 /nfs/dbraw/zinc/45/76/76/564457676.db2.gz SQDPLQVRBGIANS-LKFCYVNXSA-N 1 0 376.213 2.750 20 0 GFADRO OC[C@@H](C[NH2+]Cc1cn(-c2ccccc2Br)nn1)Cc1ccco1 ZINC000514820661 564458221 /nfs/dbraw/zinc/45/82/21/564458221.db2.gz VDMKXMBLKMCKLJ-CYBMUJFWSA-N 1 0 391.269 2.564 20 0 GFADRO O=C(C(=O)N1CCC[N@H+](CC2CCC2)CC1)c1ccc(Br)cc1 ZINC000514845370 564459944 /nfs/dbraw/zinc/45/99/44/564459944.db2.gz BSTQGFMWFDMVEL-UHFFFAOYSA-N 1 0 379.298 2.966 20 0 GFADRO CC[NH+]1CCN(c2ccc(CNc3cc(Br)ccn3)cn2)CC1 ZINC000480103607 564460615 /nfs/dbraw/zinc/46/06/15/564460615.db2.gz DBVKGSPBYBAKKR-UHFFFAOYSA-N 1 0 376.302 2.993 20 0 GFADRO CC[C@@H](O)CCC[NH2+][C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000480201690 564463420 /nfs/dbraw/zinc/46/34/20/564463420.db2.gz QNNGXEZDEBVCOX-OCCSQVGLSA-N 1 0 376.316 2.808 20 0 GFADRO CN(C(=O)NCC[C@H]1CC[NH2+]C1)[C@H]1CCOc2ccc(Br)cc21 ZINC000569458740 564464049 /nfs/dbraw/zinc/46/40/49/564464049.db2.gz AGQKREFUSYDNNJ-DOMZBBRYSA-N 1 0 382.302 2.914 20 0 GFADRO C[C@@H]([NH2+]C[C@H]1CC(=O)N(C2CC2)C1)c1ccccc1I ZINC000569462993 564465052 /nfs/dbraw/zinc/46/50/52/564465052.db2.gz CIGKWBYOIRRRFV-VXGBXAGGSA-N 1 0 384.261 2.953 20 0 GFADRO O=C(N[C@H]1CC[N@@H+](C2CC2)C1)c1ccccc1-n1cc(Br)cn1 ZINC000514992246 564465005 /nfs/dbraw/zinc/46/50/05/564465005.db2.gz RZXMHUZXYZHQJZ-ZDUSSCGKSA-N 1 0 375.270 2.601 20 0 GFADRO CCN(CC)C[C@@H](C)[NH2+][C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000480251155 564465633 /nfs/dbraw/zinc/46/56/33/564465633.db2.gz HBQRIVSGUFWYFA-IUODEOHRSA-N 1 0 389.359 2.988 20 0 GFADRO C[C@H]([NH2+]C[C@@H](c1ccsc1)N(C)C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000480247781 564466285 /nfs/dbraw/zinc/46/62/85/564466285.db2.gz NBDUELVPVUTYKD-KSSFIOAISA-N 1 0 381.567 2.952 20 0 GFADRO CN(C)C(=O)CN1CCC([NH2+]Cc2cc3cc(Br)ccc3o2)CC1 ZINC000569503869 564466765 /nfs/dbraw/zinc/46/67/65/564466765.db2.gz RYUWPVZLCCRHMT-UHFFFAOYSA-N 1 0 394.313 2.838 20 0 GFADRO CCn1c2ccccc2nc1SCC(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000480269793 564466866 /nfs/dbraw/zinc/46/68/66/564466866.db2.gz XQYCGYVGUNKHLW-SFHVURJKSA-N 1 0 378.567 2.702 20 0 GFADRO C[C@H]1C[C@H](NC(=O)C(=O)N(C)Cc2cc(Cl)cc(Cl)c2)C[N@@H+]1C1CC1 ZINC000569526945 564468074 /nfs/dbraw/zinc/46/80/74/564468074.db2.gz KXQAVMDXSFGAMM-NHYWBVRUSA-N 1 0 384.307 2.693 20 0 GFADRO O=S1(=O)CC[C@@H](NCCC[NH+]2CCCC2)c2cc(Br)ccc21 ZINC000480328008 564468338 /nfs/dbraw/zinc/46/83/38/564468338.db2.gz NHVANYAAGKASPF-OAHLLOKOSA-N 1 0 387.343 2.743 20 0 GFADRO C[C@H]1C[C@H](NC(=O)c2ncc(Br)cc2Br)CC[N@@H+]1C ZINC000546796889 564468591 /nfs/dbraw/zinc/46/85/91/564468591.db2.gz HEJHGUGGMJPMAG-WCBMZHEXSA-N 1 0 391.107 2.819 20 0 GFADRO CC(C)(C)[N@@H+]1C[C@@H](C(=O)N2CCS[C@H]3COCC[C@H]32)[C@H](C(F)(F)F)C1 ZINC000480373687 564470197 /nfs/dbraw/zinc/47/01/97/564470197.db2.gz FEGUDYLGUAPCFX-SYQHCUMBSA-N 1 0 380.476 2.628 20 0 GFADRO Cc1cc(C[NH2+]C[C@@H](O)COCC(C)C)ccc1I ZINC000515166489 564470409 /nfs/dbraw/zinc/47/04/09/564470409.db2.gz RLVULBUNYILYCP-CQSZACIVSA-N 1 0 377.266 2.723 20 0 GFADRO Brc1csc(-c2noc(CN3CC[C@@H](c4nnc[nH]4)C3)n2)c1 ZINC000569597402 564470400 /nfs/dbraw/zinc/47/04/00/564470400.db2.gz YKYJDUUWZRPMMF-MRVPVSSYSA-N 1 0 381.259 2.668 20 0 GFADRO CCN(CC)S(=O)(=O)CC[NH2+]Cc1cc(Br)c(Cl)s1 ZINC000480365814 564470403 /nfs/dbraw/zinc/47/04/03/564470403.db2.gz WKCJPICSTVRQAG-UHFFFAOYSA-N 1 0 389.768 2.925 20 0 GFADRO O=C(NC[C@H]1C[NH2+]CCO1)N1CCC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000515144753 564470705 /nfs/dbraw/zinc/47/07/05/564470705.db2.gz FBIZAYAAEQUBRA-UONOGXRCSA-N 1 0 388.295 2.535 20 0 GFADRO COc1nc(N2CCN(C3CC(OC(C)(C)C)C3)CC2)ncc1Br ZINC000569615758 564471493 /nfs/dbraw/zinc/47/14/93/564471493.db2.gz XJEYSCNFOABOHM-UHFFFAOYSA-N 1 0 399.333 2.716 20 0 GFADRO C[C@H]1CN(C(=O)c2nn(-c3cccc(Br)c3)c3c2CCC3)C[C@@H]1[NH3+] ZINC000515233484 564473068 /nfs/dbraw/zinc/47/30/68/564473068.db2.gz MBNITDBVFCVHAY-NHYWBVRUSA-N 1 0 389.297 2.543 20 0 GFADRO CC[N@@H+]1CCCC[C@H]1C(=O)NCc1cn2cc(Br)cc(C)c2n1 ZINC000546898979 564473664 /nfs/dbraw/zinc/47/36/64/564473664.db2.gz HBPQPENOPLHSOU-HNNXBMFYSA-N 1 0 379.302 2.896 20 0 GFADRO CC(C)C[NH2+][C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 ZINC000480473193 564475340 /nfs/dbraw/zinc/47/53/40/564475340.db2.gz UGJADBAQZOFKOZ-CQSZACIVSA-N 1 0 375.332 2.848 20 0 GFADRO O=C(NCCNc1cc[nH+]cc1)N[C@H]1CCc2c1ccc(F)c2Br ZINC000515372417 564477510 /nfs/dbraw/zinc/47/75/10/564477510.db2.gz AIFRMJRWGOHHJG-HNNXBMFYSA-N 1 0 393.260 2.804 20 0 GFADRO CCN(CC)S(=O)(=O)c1ccc(CC[NH2+][C@H](C)c2cncnc2C)s1 ZINC000569868060 564481326 /nfs/dbraw/zinc/48/13/26/564481326.db2.gz UJODEQQIVLVXDC-CYBMUJFWSA-N 1 0 382.555 2.770 20 0 GFADRO [NH3+][C@@H](CNC(=O)Cc1cc2c(cc1Br)OCCO2)c1ccccc1 ZINC000515650321 564484540 /nfs/dbraw/zinc/48/45/40/564484540.db2.gz RKHSLFAOERYDOZ-HNNXBMFYSA-N 1 0 391.265 2.579 20 0 GFADRO O=C(Nc1nc(C(F)(F)F)cs1)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000569937642 564484627 /nfs/dbraw/zinc/48/46/27/564484627.db2.gz LSICUSMWKRKUDZ-LLVKDONJSA-N 1 0 378.420 2.881 20 0 GFADRO [NH3+][C@H](CNC(=O)Cc1cc2c(cc1Br)OCCO2)c1ccccc1 ZINC000515650322 564485035 /nfs/dbraw/zinc/48/50/35/564485035.db2.gz RKHSLFAOERYDOZ-OAHLLOKOSA-N 1 0 391.265 2.579 20 0 GFADRO C[N@H+](CCOc1ccc(S(N)(=O)=O)cc1)Cc1cccc(Br)c1 ZINC000515769582 564486785 /nfs/dbraw/zinc/48/67/85/564486785.db2.gz CSDFGAXOSMXQIU-UHFFFAOYSA-N 1 0 399.310 2.607 20 0 GFADRO O=C(NCC1CC[NH2+]CC1)Nc1cc(Br)ccc1-n1cccn1 ZINC000570026585 564487571 /nfs/dbraw/zinc/48/75/71/564487571.db2.gz HYBPTNKWZWXRFJ-UHFFFAOYSA-N 1 0 378.274 2.756 20 0 GFADRO CC(C)(CNS(=O)(=O)c1cc(F)ccc1Br)C[NH+]1CCCC1 ZINC000480762145 564487532 /nfs/dbraw/zinc/48/75/32/564487532.db2.gz UNVXEBMTSLHRNV-UHFFFAOYSA-N 1 0 393.322 2.989 20 0 GFADRO CC[NH+](CC)[C@@H](CNC(=O)Cn1cc(Br)cn1)Cc1ccccc1 ZINC000515793545 564487817 /nfs/dbraw/zinc/48/78/17/564487817.db2.gz MSXUQJTVCHHQCE-QGZVFWFLSA-N 1 0 393.329 2.715 20 0 GFADRO Cn1cc2c(n1)CCC[C@@H]2[NH2+]C[C@@H](O)COc1cccc(Br)c1 ZINC000570038580 564488495 /nfs/dbraw/zinc/48/84/95/564488495.db2.gz CAVQTSZPSPSXFL-CJNGLKHVSA-N 1 0 380.286 2.590 20 0 GFADRO CCC[C@H]1C[NH2+]CCN1C(=O)c1cn(-c2ccc(Br)cc2)cn1 ZINC000515843292 564488661 /nfs/dbraw/zinc/48/86/61/564488661.db2.gz YOJABDBUXBYKGU-HNNXBMFYSA-N 1 0 377.286 2.849 20 0 GFADRO O=S(=O)(c1ccc(C(F)(F)F)cc1F)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000516063805 564492263 /nfs/dbraw/zinc/49/22/63/564492263.db2.gz ZSYGEVDKVHEGPP-NWDGAFQWSA-N 1 0 380.407 2.855 20 0 GFADRO O=C(CC[NH2+]C1CCN(C(=O)C2CC2)CC1)Nc1cccc(Br)c1 ZINC000570127202 564492397 /nfs/dbraw/zinc/49/23/97/564492397.db2.gz ULCQRDZHPKFIIA-UHFFFAOYSA-N 1 0 394.313 2.768 20 0 GFADRO O=C1[C@H]2CSCCN2C(=O)N1C[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000516136700 564494434 /nfs/dbraw/zinc/49/44/34/564494434.db2.gz ZRAKGPFFBZJSAF-JKSUJKDBSA-N 1 0 379.913 2.857 20 0 GFADRO COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)NCCCC[N@H+](C)C1CC1 ZINC000454089050 564497175 /nfs/dbraw/zinc/49/71/75/564497175.db2.gz AQXDRGABTZAOOZ-UHFFFAOYSA-N 1 0 388.295 2.931 20 0 GFADRO C[N@H+](CCCCNC(=O)C(=O)Nc1ccc(F)cc1Br)C1CC1 ZINC000454103305 564497896 /nfs/dbraw/zinc/49/78/96/564497896.db2.gz WQEWOCAMIFIOHP-UHFFFAOYSA-N 1 0 386.265 2.517 20 0 GFADRO Cc1cccc(NC(=O)C(=O)NCCCC[N@@H+](C)C2CC2)c1Br ZINC000454113045 564499099 /nfs/dbraw/zinc/49/90/99/564499099.db2.gz VAJGQFNMVVVPGS-UHFFFAOYSA-N 1 0 382.302 2.687 20 0 GFADRO C[N@H+](CCCCNC(=O)C(=O)Nc1nc(-c2cccs2)cs1)C1CC1 ZINC000454118833 564499386 /nfs/dbraw/zinc/49/93/86/564499386.db2.gz YXWIRQPWISYLPN-UHFFFAOYSA-N 1 0 378.523 2.801 20 0 GFADRO Cc1onc(-c2cccc(Cl)c2Cl)c1C(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000516383716 564500439 /nfs/dbraw/zinc/50/04/39/564500439.db2.gz LUTJZOVRLZZAIG-KRWDZBQOSA-N 1 0 384.263 2.753 20 0 GFADRO CC[NH+]1CCN(C[C@H](C)CNC(=O)c2nc3cc(Cl)ccc3s2)CC1 ZINC000454155649 564500491 /nfs/dbraw/zinc/50/04/91/564500491.db2.gz WMCUIUXPZCARII-CYBMUJFWSA-N 1 0 380.945 2.953 20 0 GFADRO C[C@H](CNC(=O)CNC(=O)c1ccc(Cl)cc1Cl)[N@@H+]1CCC[C@H](C)C1 ZINC000516387571 564501901 /nfs/dbraw/zinc/50/19/01/564501901.db2.gz VTOQJRSYXWCXQJ-QWHCGFSZSA-N 1 0 386.323 2.960 20 0 GFADRO Cc1cc(F)c(Br)cc1S(=O)(=O)NCCC1CC[NH+](C)CC1 ZINC000481060691 564502254 /nfs/dbraw/zinc/50/22/54/564502254.db2.gz NVDHAGIGDYIOOR-UHFFFAOYSA-N 1 0 393.322 2.907 20 0 GFADRO COC(=O)[C@H](c1ccc(Cl)c(Cl)c1)N(C)Cc1nc(C(C)(C)[NH3+])no1 ZINC000570397232 564503246 /nfs/dbraw/zinc/50/32/46/564503246.db2.gz AHTJTEWZIPIKCD-ZDUSSCGKSA-N 1 0 387.267 2.916 20 0 GFADRO COc1ccc(Br)cc1CNC(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000570382243 564503879 /nfs/dbraw/zinc/50/38/79/564503879.db2.gz LNIWBFURMIIIIM-LALPHHSUSA-N 1 0 382.302 2.645 20 0 GFADRO CC(=O)N[C@@H](C)C1CC[NH+](C[C@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000481149456 564505011 /nfs/dbraw/zinc/50/50/11/564505011.db2.gz PCTAWEVMIVBQMG-WFASDCNBSA-N 1 0 389.323 2.970 20 0 GFADRO O=C(N[C@@H]1CCOc2c(Br)cccc21)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000570427973 564505313 /nfs/dbraw/zinc/50/53/13/564505313.db2.gz KUNVUVPOCYTQIH-DVOMOZLQSA-N 1 0 394.313 2.914 20 0 GFADRO C[C@H](C[C@H](C)[NH3+])NS(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCCCO1 ZINC000570513939 564509758 /nfs/dbraw/zinc/50/97/58/564509758.db2.gz GBIPKZIODWMTHS-GZBFAFLISA-N 1 0 390.933 2.692 20 0 GFADRO COc1cc(C(=O)N2CCC3(CC[NH2+]C3)CC2)cc(Br)c1OC ZINC000570512233 564510102 /nfs/dbraw/zinc/51/01/02/564510102.db2.gz FTTVUXJMFWEWLX-UHFFFAOYSA-N 1 0 383.286 2.682 20 0 GFADRO O=S(=O)(c1ccc(Cl)c(Br)c1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000570515849 564510150 /nfs/dbraw/zinc/51/01/50/564510150.db2.gz WDCCJJZSJOSAKX-AWEZNQCLSA-N 1 0 393.734 2.867 20 0 GFADRO CC(C)CCOc1ccc(S(=O)(=O)NC[C@@]2([NH+](C)C)CCSC2)cc1 ZINC000481339698 564510278 /nfs/dbraw/zinc/51/02/78/564510278.db2.gz NHXWYXHXCCBWKV-SFHVURJKSA-N 1 0 386.583 2.827 20 0 GFADRO CC(C)c1n[nH]c(C(=O)N2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)c1Br ZINC000516760067 564510588 /nfs/dbraw/zinc/51/05/88/564510588.db2.gz QDRSFXNSGUOSQB-LRDDRELGSA-N 1 0 399.333 2.654 20 0 GFADRO CC(C)c1n[nH]c(C(=O)N2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)c1Br ZINC000516760066 564510620 /nfs/dbraw/zinc/51/06/20/564510620.db2.gz QDRSFXNSGUOSQB-BLLLJJGKSA-N 1 0 399.333 2.654 20 0 GFADRO CCO[C@H]1C[C@H]([NH2+]Cc2cc(=O)n3cc(Br)ccc3n2)C12CCC2 ZINC000516714575 564511000 /nfs/dbraw/zinc/51/10/00/564511000.db2.gz JXRJBHALCCHEGE-GJZGRUSLSA-N 1 0 392.297 2.894 20 0 GFADRO C[NH+](C)[C@@]1(CNS(=O)(=O)c2cc(C(F)(F)F)ccc2F)CCSC1 ZINC000481347992 564511050 /nfs/dbraw/zinc/51/10/50/564511050.db2.gz WKSCOMCDAOGQRY-CYBMUJFWSA-N 1 0 386.436 2.560 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)c1cc(-c2ccc(Br)cc2)n[nH]1 ZINC000516763560 564511479 /nfs/dbraw/zinc/51/14/79/564511479.db2.gz IYPCIHBUHJNSOH-CYBMUJFWSA-N 1 0 375.270 2.806 20 0 GFADRO C[C@@H](CNC(=O)NCc1nn(C)cc1Br)[N@H+](C)Cc1ccccc1 ZINC000454480617 564511808 /nfs/dbraw/zinc/51/18/08/564511808.db2.gz CYXGHFTWCZCDBW-ZDUSSCGKSA-N 1 0 394.317 2.502 20 0 GFADRO C[NH+](C)C1(CNC(=O)NC/C=C\c2ccc(Br)cc2)CCOCC1 ZINC000454549065 564513828 /nfs/dbraw/zinc/51/38/28/564513828.db2.gz PVGZPFZJFJYWBQ-ARJAWSKDSA-N 1 0 396.329 2.872 20 0 GFADRO CO[C@H](c1ccccc1Cl)[C@H](C)[NH2+]CCNS(=O)(=O)c1ccccc1 ZINC000481493038 564514236 /nfs/dbraw/zinc/51/42/36/564514236.db2.gz JBOFFBXRZSTJGM-KSSFIOAISA-N 1 0 382.913 2.984 20 0 GFADRO CC1(C[NH2+]C[C@H](O)COc2cc(F)cc(Br)c2)CCOCC1 ZINC000570626068 564514760 /nfs/dbraw/zinc/51/47/60/564514760.db2.gz YLNSZPMQNIFQJA-AWEZNQCLSA-N 1 0 376.266 2.734 20 0 GFADRO COCC[N@H+](C)CCCNC(=O)N1CC[C@H](c2cccc(Br)c2)C1 ZINC000454600768 564516332 /nfs/dbraw/zinc/51/63/32/564516332.db2.gz JLCLJUUFYWEJNV-INIZCTEOSA-N 1 0 398.345 2.916 20 0 GFADRO [NH3+]C1(CNC(=O)Nc2ccnn2-c2ccc(Br)cn2)CCCCC1 ZINC000516915064 564516458 /nfs/dbraw/zinc/51/64/58/564516458.db2.gz LVOUQTSAFIAAPX-UHFFFAOYSA-N 1 0 393.289 2.813 20 0 GFADRO [NH3+][C@H]1CCCO[C@H]1C1CCN(Cc2cc3c(c(Br)c2)OCO3)CC1 ZINC000570692430 564517327 /nfs/dbraw/zinc/51/73/27/564517327.db2.gz GMKVIMGPGZAMHC-RDJZCZTQSA-N 1 0 397.313 2.896 20 0 GFADRO O=C(CC[NH2+][C@H](c1cc(F)cc(Br)c1)C1CC1)N1CCOCC1 ZINC000481732550 564520936 /nfs/dbraw/zinc/52/09/36/564520936.db2.gz XMXOISGNPVOOJB-KRWDZBQOSA-N 1 0 385.277 2.878 20 0 GFADRO O=C(N[C@@H]1CCc2c1cccc2Br)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000517023946 564521829 /nfs/dbraw/zinc/52/18/29/564521829.db2.gz DGJLBPGPQLNKMW-CXAGYDPISA-N 1 0 389.297 2.987 20 0 GFADRO OC[C@@H](C[NH2+]Cc1ccc(OC(F)F)c(Br)c1)[C@@H]1CCOC1 ZINC000481823880 564524773 /nfs/dbraw/zinc/52/47/73/564524773.db2.gz LCVWCPOQJQWANK-VXGBXAGGSA-N 1 0 380.229 2.785 20 0 GFADRO C[NH+]1CCC(n2ccc(NC(=O)c3c(F)cc(Br)cc3F)n2)CC1 ZINC000570878477 564525396 /nfs/dbraw/zinc/52/53/96/564525396.db2.gz PULYOKGOTBALPH-UHFFFAOYSA-N 1 0 399.239 3.443 20 0 GFADRO C[C@H]1CC[S@](=O)CCN1C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000570887400 564526375 /nfs/dbraw/zinc/52/63/75/564526375.db2.gz XCQSKAGBQLCLNK-MQNRADLISA-N 1 0 383.583 2.513 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(C(=O)N[C@@H]3CCOc4c(Br)cccc43)C[C@@H]21 ZINC000454905779 564527536 /nfs/dbraw/zinc/52/75/36/564527536.db2.gz NUQBNMGBOPRVJV-DFBGVHRSSA-N 1 0 380.286 2.618 20 0 GFADRO COc1cc(C)c(Br)cc1S(=O)(=O)NC[C@H](C)[NH+]1CCCC1 ZINC000548041542 564528920 /nfs/dbraw/zinc/52/89/20/564528920.db2.gz VOHWGZGKIYYSLH-LBPRGKRZSA-N 1 0 391.331 2.529 20 0 GFADRO CN(C)CC[N@H+](C)CCCN(C)C(=O)COc1c(Cl)cccc1Cl ZINC000570969060 564529449 /nfs/dbraw/zinc/52/94/49/564529449.db2.gz OBVYLKJYLRULPU-UHFFFAOYSA-N 1 0 376.328 2.714 20 0 GFADRO COCCCOc1ccc(Cl)cc1S(=O)(=O)NC[C@@H](C)[NH+]1CCCC1 ZINC000548042555 564529556 /nfs/dbraw/zinc/52/95/56/564529556.db2.gz RWIGZPUVTNCWGQ-CQSZACIVSA-N 1 0 390.933 2.518 20 0 GFADRO COC(=O)CC1([NH2+]CC(=O)Nc2ccc(Br)cc2F)CCCC1 ZINC000548098274 564531109 /nfs/dbraw/zinc/53/11/09/564531109.db2.gz LPKAZOXDLNFKCT-UHFFFAOYSA-N 1 0 387.249 2.992 20 0 GFADRO COCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](Cc2cccc(Br)c2OC)C1 ZINC000481997583 564531837 /nfs/dbraw/zinc/53/18/37/564531837.db2.gz IQVGDGLRMQLELU-HIFRSBDPSA-N 1 0 399.329 2.821 20 0 GFADRO Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)NC(=O)C[N@H+](C)[C@@H]1CCSC1 ZINC000482055858 564532384 /nfs/dbraw/zinc/53/23/84/564532384.db2.gz ZUHXPMSVHXDHBS-ZWNOBZJWSA-N 1 0 378.464 2.677 20 0 GFADRO O=S(=O)(Cc1ccccc1F)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000482127108 564534978 /nfs/dbraw/zinc/53/49/78/564534978.db2.gz BMLDWMJTJLCEFE-UHFFFAOYSA-N 1 0 386.558 2.997 20 0 GFADRO C[N@H+](CCCC(=O)NC(N)=O)[C@@H]1CCSc2ccc(Br)cc21 ZINC000517526898 564535641 /nfs/dbraw/zinc/53/56/41/564535641.db2.gz LDRRQOLGRTXDGG-GFCCVEGCSA-N 1 0 386.315 2.893 20 0 GFADRO Cc1cc(Br)c(F)cc1NC(=O)NCCC[N@@H+](C)CCN(C)C ZINC000455155774 564539070 /nfs/dbraw/zinc/53/90/70/564539070.db2.gz LZIOCUSXCRIYHH-UHFFFAOYSA-N 1 0 389.313 2.902 20 0 GFADRO O[C@H](C[NH2+]C[C@@H]1CCC[C@H]1O)COc1ccc(Cl)cc1Br ZINC000571209229 564541139 /nfs/dbraw/zinc/54/11/39/564541139.db2.gz OWOOMZAWMTWRJL-ZKYQVNSYSA-N 1 0 378.694 2.593 20 0 GFADRO COc1cc(OC)c(NC(=O)N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)cc1Br ZINC000455206834 564542622 /nfs/dbraw/zinc/54/26/22/564542622.db2.gz KMDNYYLFEBRKFR-GXFFZTMASA-N 1 0 384.274 2.634 20 0 GFADRO COCC[NH2+]CCNCc1cc(Br)c(OC)c(Br)c1 ZINC000571623044 564559182 /nfs/dbraw/zinc/55/91/82/564559182.db2.gz RPOINBOWQDXNQR-UHFFFAOYSA-N 1 0 396.123 2.546 20 0 GFADRO COCCOc1ccc(Br)cc1NC(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000571298078 564544583 /nfs/dbraw/zinc/54/45/83/564544583.db2.gz QHLAWUHVSQCLAT-OCCSQVGLSA-N 1 0 398.301 2.690 20 0 GFADRO COCCOc1ccc(Br)cc1NC(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000571298071 564544753 /nfs/dbraw/zinc/54/47/53/564544753.db2.gz QHLAWUHVSQCLAT-GXTWGEPZSA-N 1 0 398.301 2.690 20 0 GFADRO CC1(C)[NH2+]CC[C@H]1NC(=O)CCC[S@](=O)c1ccc(Br)cc1 ZINC000518080558 564545834 /nfs/dbraw/zinc/54/58/34/564545834.db2.gz NOYLFYAXUBZSRA-PEBXRYMYSA-N 1 0 387.343 2.594 20 0 GFADRO C[C@H]1COCCN1CC[NH2+]Cc1cc(Br)ccc1OC(F)F ZINC000518275796 564549728 /nfs/dbraw/zinc/54/97/28/564549728.db2.gz PWTNANUQVZPOGC-NSHDSACASA-N 1 0 379.245 2.861 20 0 GFADRO COCC1(CC(=O)Nc2cc(Br)ccc2N2CC[NH+](C)CC2)CC1 ZINC000571405847 564549952 /nfs/dbraw/zinc/54/99/52/564549952.db2.gz MZMJGZQKSFYATP-UHFFFAOYSA-N 1 0 396.329 2.956 20 0 GFADRO C[C@@H](NC(=O)c1cccc(Br)c1I)[C@H](C)[NH3+] ZINC000571402840 564550118 /nfs/dbraw/zinc/55/01/18/564550118.db2.gz GQEQBWCVFZFJHT-NKWVEPMBSA-N 1 0 397.054 2.519 20 0 GFADRO CC[C@@H]([NH2+]CCS(=O)(=O)c1cccc(Br)c1)[C@@H](O)C(C)C ZINC000571445285 564551913 /nfs/dbraw/zinc/55/19/13/564551913.db2.gz JYHDRJWPYZJEJU-CABCVRRESA-N 1 0 378.332 2.608 20 0 GFADRO CN(C)C(=O)CCN1CCC([NH2+][C@@H]2CCc3cc(Br)ccc32)CC1 ZINC000482889958 564552844 /nfs/dbraw/zinc/55/28/44/564552844.db2.gz MQECNKODDWSXOW-GOSISDBHSA-N 1 0 394.357 2.969 20 0 GFADRO C[C@H]1CN(CCO)CCN1C(=O)Nc1ccc(Cl)cc1OCC(F)F ZINC000455425486 564553123 /nfs/dbraw/zinc/55/31/23/564553123.db2.gz MRTIUAVPLFZSKE-NSHDSACASA-N 1 0 377.819 2.514 20 0 GFADRO O=S1(=O)CC[C@@H]([NH2+][C@H]2CCc3n[nH]cc3C2)c2cc(Br)ccc21 ZINC000548483627 564553930 /nfs/dbraw/zinc/55/39/30/564553930.db2.gz ZLAJNGPWMOLFDJ-SWLSCSKDSA-N 1 0 396.310 2.538 20 0 GFADRO COc1c(Br)cccc1C[NH2+][C@@H]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000548477295 564554014 /nfs/dbraw/zinc/55/40/14/564554014.db2.gz LPXDXMGOYUTUIL-CHWSQXEVSA-N 1 0 376.316 2.903 20 0 GFADRO CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)N[C@H](C)c1ncc(Br)cn1)CC2 ZINC000571499896 564554208 /nfs/dbraw/zinc/55/42/08/564554208.db2.gz QANQGOHXGONPIS-YUELXQCFSA-N 1 0 396.333 2.957 20 0 GFADRO CCCC[C@](C)([NH2+]CCN1C(=O)CNC1=O)c1cccc(Br)c1 ZINC000483061826 564558066 /nfs/dbraw/zinc/55/80/66/564558066.db2.gz SJRCKWKZNIAKHJ-KRWDZBQOSA-N 1 0 382.302 2.996 20 0 GFADRO CN(CC[N@H+](C)C1CC1)C(=O)Nc1ccn(-c2ccc(Br)cc2)n1 ZINC000455605951 564559448 /nfs/dbraw/zinc/55/94/48/564559448.db2.gz AVHDRKIVHMSBOQ-UHFFFAOYSA-N 1 0 392.301 3.193 20 0 GFADRO C[C@@H](CO)[N@H+](C[C@H](O)COc1cc(F)cc(Br)c1)CC1CCC1 ZINC000483140626 564559631 /nfs/dbraw/zinc/55/96/31/564559631.db2.gz IRJUJIDOZRGWAA-LRDDRELGSA-N 1 0 390.293 2.811 20 0 GFADRO CC[C@H]([NH3+])CNC(=O)c1cccc(Br)c1I ZINC000571640520 564559763 /nfs/dbraw/zinc/55/97/63/564559763.db2.gz BMMPJUNSQRRDCD-ZETCQYMHSA-N 1 0 397.054 2.521 20 0 GFADRO O=C(NCCC1=CC[NH2+]CC1)N[C@@H](c1cncc(Br)c1)C1CC1 ZINC000518735543 564560397 /nfs/dbraw/zinc/56/03/97/564560397.db2.gz JBLXHQFOJKHAKL-MRXNPFEDSA-N 1 0 379.302 2.904 20 0 GFADRO C[C@H]1CCc2c(sc3nc(C[NH2+]C4(CO)CCSCC4)nc(N)c32)C1 ZINC000518715064 564560565 /nfs/dbraw/zinc/56/05/65/564560565.db2.gz PCFGGSGJLPJRRW-NSHDSACASA-N 1 0 378.567 2.746 20 0 GFADRO C[N@H+](CCCCNC(=O)N[C@H](CO)c1cccc(Br)c1)C1CC1 ZINC000455627406 564561535 /nfs/dbraw/zinc/56/15/35/564561535.db2.gz ZTSINCNTEFOOMY-MRXNPFEDSA-N 1 0 384.318 2.656 20 0 GFADRO C[C@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[N@@H+]1CC[C@@](C)(C(N)=O)C1 ZINC000483280059 564562748 /nfs/dbraw/zinc/56/27/48/564562748.db2.gz JFHLZEKURCAFRH-RFAUZJTJSA-N 1 0 377.794 2.883 20 0 GFADRO CC1CC[NH+](C[C@@H](O)CNC(=O)NCCc2cccc(Cl)c2Cl)CC1 ZINC000518814048 564563098 /nfs/dbraw/zinc/56/30/98/564563098.db2.gz LWNQHFMAHRZLRE-HNNXBMFYSA-N 1 0 388.339 2.928 20 0 GFADRO C[N@@H+]1CCC[C@H]1CNC(=O)N1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000518878796 564563472 /nfs/dbraw/zinc/56/34/72/564563472.db2.gz YBTOEFNOTIBPTB-JKSUJKDBSA-N 1 0 382.302 2.626 20 0 GFADRO COCCOc1c(Cl)cc(S(=O)(=O)NCC[N@H+](C)C(C)C)cc1Cl ZINC000518826111 564563962 /nfs/dbraw/zinc/56/39/62/564563962.db2.gz UPOSKBNQXZXCBV-UHFFFAOYSA-N 1 0 399.340 2.637 20 0 GFADRO Cc1ccc(Br)c(S(=O)(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000518978581 564566397 /nfs/dbraw/zinc/56/63/97/564566397.db2.gz ZRNRDMKKRSAZOZ-KGLIPLIRSA-N 1 0 387.343 2.768 20 0 GFADRO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000483396288 564566533 /nfs/dbraw/zinc/56/65/33/564566533.db2.gz CEMLUDTWLAKBIQ-JKSUJKDBSA-N 1 0 386.323 2.941 20 0 GFADRO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000483396287 564566548 /nfs/dbraw/zinc/56/65/48/564566548.db2.gz CEMLUDTWLAKBIQ-HZPDHXFCSA-N 1 0 386.323 2.941 20 0 GFADRO COCCC[NH+]1CCC(NC(=O)Nc2nc(CC(F)(F)F)cs2)CC1 ZINC000455734068 564567143 /nfs/dbraw/zinc/56/71/43/564567143.db2.gz XFUXIBKFLYXBBC-UHFFFAOYSA-N 1 0 380.436 2.870 20 0 GFADRO C[N@H+](CCCO)C1CCN(C(=O)Nc2nc(CC(F)(F)F)cs2)CC1 ZINC000455732396 564567401 /nfs/dbraw/zinc/56/74/01/564567401.db2.gz VKLKJJQQWSNFJT-UHFFFAOYSA-N 1 0 380.436 2.558 20 0 GFADRO CC[N@H+](CCN1CCCS1(=O)=O)[C@@H](C)Cc1ccccc1C(F)(F)F ZINC000483426058 564567475 /nfs/dbraw/zinc/56/74/75/564567475.db2.gz LAYCHRBSANMXPH-AWEZNQCLSA-N 1 0 378.460 2.994 20 0 GFADRO CC[NH+](CC)CCNC(=O)Nc1ccc(I)cc1OC ZINC000455742361 564568182 /nfs/dbraw/zinc/56/81/82/564568182.db2.gz YYNPIGRGKJMJFO-UHFFFAOYSA-N 1 0 391.253 2.763 20 0 GFADRO Cc1ccc(F)c(Br)c1NC(=O)N1CCC([N@H+](C)CCO)CC1 ZINC000455745733 564568935 /nfs/dbraw/zinc/56/89/35/564568935.db2.gz GXJZALPUARUFRZ-UHFFFAOYSA-N 1 0 388.281 2.817 20 0 GFADRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)NCCNc1ncc(C(F)(F)F)cc1Cl ZINC000519118000 564570398 /nfs/dbraw/zinc/57/03/98/564570398.db2.gz VRUNYLJCGSRIFT-ZJUUUORDSA-N 1 0 379.814 2.544 20 0 GFADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)Nc2cc(Br)cnc2C)CC1 ZINC000455802651 564571499 /nfs/dbraw/zinc/57/14/99/564571499.db2.gz NZSYSLAMQSMLSL-ZDUSSCGKSA-N 1 0 398.349 2.548 20 0 GFADRO Cc1ncc(Br)cc1NC(=O)NCCCC[N@@H+]1CCC[C@@H]1CO ZINC000455806544 564572333 /nfs/dbraw/zinc/57/23/33/564572333.db2.gz RQJUHNXTSFSRSQ-CQSZACIVSA-N 1 0 385.306 2.511 20 0 GFADRO C[C@H]([NH3+])[C@H](C)NS(=O)(=O)c1csc(-c2ccc(Br)cc2)n1 ZINC000571921018 564572772 /nfs/dbraw/zinc/57/27/72/564572772.db2.gz VPRPRIWKPLUGEB-IUCAKERBSA-N 1 0 390.328 2.587 20 0 GFADRO CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2cc3sc(C)nc3cc2Cl)C1 ZINC000483748031 564573657 /nfs/dbraw/zinc/57/36/57/564573657.db2.gz QEZNKSMHTORNEY-NSHDSACASA-N 1 0 380.901 2.797 20 0 GFADRO O=C(CC[NH2+][C@H](CCO)c1ccccc1Br)Nc1cccnc1 ZINC000483724818 564573851 /nfs/dbraw/zinc/57/38/51/564573851.db2.gz MCXZMGCNWPSWAV-MRXNPFEDSA-N 1 0 378.270 2.886 20 0 GFADRO Cc1ncc(Br)cc1NC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000455843887 564573903 /nfs/dbraw/zinc/57/39/03/564573903.db2.gz UASMRGPNCFRUSE-CQSZACIVSA-N 1 0 385.306 2.631 20 0 GFADRO CC(C)(CC[NH+]1CCCCCC1)NC(=O)NCCCCCS(C)(=O)=O ZINC000483795533 564575444 /nfs/dbraw/zinc/57/54/44/564575444.db2.gz SZTIGXZZRUJVNG-UHFFFAOYSA-N 1 0 375.579 2.545 20 0 GFADRO COC[C@H](C)OC[C@@H](O)C[NH2+][C@H](C)Cc1cc(Br)ccc1F ZINC000571994162 564576266 /nfs/dbraw/zinc/57/62/66/564576266.db2.gz KXGYQORZGFNSSO-XUJVJEKNSA-N 1 0 378.282 2.521 20 0 GFADRO C[C@H]([NH2+]CCCC(F)(F)F)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000483858228 564576270 /nfs/dbraw/zinc/57/62/70/564576270.db2.gz DNKMKSWOUWRDCT-ZDUSSCGKSA-N 1 0 380.432 2.701 20 0 GFADRO Cc1nc2cc(Cl)c(NC(=O)C(=O)N[C@H]3CC[N@H+](C)[C@H](C)C3)cc2s1 ZINC000483891052 564576967 /nfs/dbraw/zinc/57/69/67/564576967.db2.gz GQFLJAVSCRWVRM-KOLCDFICSA-N 1 0 380.901 2.796 20 0 GFADRO CC(C)[C@@H](C[NH2+]CCC(=O)Nc1ccc(Br)cc1)N1CCOCC1 ZINC000548832101 564577850 /nfs/dbraw/zinc/57/78/50/564577850.db2.gz CZRMDKCOHSDROL-QGZVFWFLSA-N 1 0 398.345 2.724 20 0 GFADRO CC[C@H]1C[N@H+](C)CCCN1S(=O)(=O)c1cc(Br)cc(OC)c1 ZINC000519478687 564578945 /nfs/dbraw/zinc/57/89/45/564578945.db2.gz RTXOKIJVYFJQFY-ZDUSSCGKSA-N 1 0 391.331 2.563 20 0 GFADRO CC[NH2+]CCCNC(=O)N[C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O ZINC000519532817 564579871 /nfs/dbraw/zinc/57/98/71/564579871.db2.gz VFFYESQGSZJRCV-CQSZACIVSA-N 1 0 387.311 2.788 20 0 GFADRO C[C@@H](CNC(=O)N(C)CC[NH+]1CCCC1)Oc1ccccc1Br ZINC000483998892 564580252 /nfs/dbraw/zinc/58/02/52/564580252.db2.gz BRHMXOHNRURBKQ-AWEZNQCLSA-N 1 0 384.318 2.954 20 0 GFADRO C[N@@H+]1CCC[C@H](CNC(=O)N[C@@H]2CCN(c3cccc(Br)c3)C2)C1 ZINC000519577496 564581481 /nfs/dbraw/zinc/58/14/81/564581481.db2.gz RTFLXGVZBBWXJO-GDBMZVCRSA-N 1 0 395.345 2.669 20 0 GFADRO COCCOC[C@@H](O)C[NH2+][C@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC000519594777 564582444 /nfs/dbraw/zinc/58/24/44/564582444.db2.gz LLBXIIZABHZSFF-GUYCJALGSA-N 1 0 397.313 2.921 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)c2cc(I)ccc2Cl)C1 ZINC000484115670 564582643 /nfs/dbraw/zinc/58/26/43/564582643.db2.gz YJOCERRQSVKSJV-RKDXNWHRSA-N 1 0 378.641 2.754 20 0 GFADRO CC[NH2+]CCCNC(=O)NC[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000572134909 564582677 /nfs/dbraw/zinc/58/26/77/564582677.db2.gz HPEUPLFLLCVZNA-CQSZACIVSA-N 1 0 383.334 2.574 20 0 GFADRO C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)[C@@H]([NH3+])C2CCC2)CC1 ZINC000572154414 564583162 /nfs/dbraw/zinc/58/31/62/564583162.db2.gz SYFPJRCWXMOUKE-DYVFJYSZSA-N 1 0 380.330 2.782 20 0 GFADRO C[C@@H]1CC[N@H+](CCNS(=O)(=O)c2c(Cl)cccc2Br)C1 ZINC000549027978 564584324 /nfs/dbraw/zinc/58/43/24/564584324.db2.gz IEWLMOJHUQKMDF-SNVBAGLBSA-N 1 0 381.723 2.723 20 0 GFADRO C[C@H]1CC[N@H+](CCNS(=O)(=O)c2c(Cl)cccc2Br)C1 ZINC000549027967 564584637 /nfs/dbraw/zinc/58/46/37/564584637.db2.gz IEWLMOJHUQKMDF-JTQLQIEISA-N 1 0 381.723 2.723 20 0 GFADRO COC(=O)CN(C)C(=O)CC[NH2+][C@@](C)(c1ccc(Br)cc1)C(C)C ZINC000484333084 564586611 /nfs/dbraw/zinc/58/66/11/564586611.db2.gz SKNIBAWCCGINKH-GOSISDBHSA-N 1 0 399.329 2.931 20 0 GFADRO COc1cc(Br)ccc1CCCNC(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000572262331 564587207 /nfs/dbraw/zinc/58/72/07/564587207.db2.gz LSHZLDDDFWQSKQ-ZDUSSCGKSA-N 1 0 384.318 2.771 20 0 GFADRO COCC[C@H](Cc1cccc(Br)c1)C(=O)N1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000484539641 564590314 /nfs/dbraw/zinc/59/03/14/564590314.db2.gz CUAOLSQNVQXLKX-BMFZPTHFSA-N 1 0 383.330 2.840 20 0 GFADRO [NH3+]C[C@H]1CCCN(C(=O)Nc2cc(F)c(F)cc2I)C1 ZINC000519808691 564591090 /nfs/dbraw/zinc/59/10/90/564591090.db2.gz DFJFKDRDPZEZTJ-MRVPVSSYSA-N 1 0 395.191 2.772 20 0 GFADRO C[C@@H]1CN(S(=O)(=O)Cc2cc(Cl)ccc2Br)CC[C@H]1[NH3+] ZINC000572363315 564591205 /nfs/dbraw/zinc/59/12/05/564591205.db2.gz UWRSFVSALQDGHT-NOZJJQNGSA-N 1 0 381.723 2.601 20 0 GFADRO C[NH+](C)CCCC(C)(C)NC(=O)c1cncc(I)c1 ZINC000456176551 564591736 /nfs/dbraw/zinc/59/17/36/564591736.db2.gz WLSUYOIVRAELSN-UHFFFAOYSA-N 1 0 375.254 2.536 20 0 GFADRO CCO[C@H]1COCC[C@@H]1[NH2+]CC(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000484625429 564592974 /nfs/dbraw/zinc/59/29/74/564592974.db2.gz VZDZUDJZRZHDIL-JSGCOSHPSA-N 1 0 378.803 2.664 20 0 GFADRO CCO[C@@H]1COCC[C@H]1[NH2+]CC(=O)N(C)Cc1ccc(Cl)c(Cl)c1 ZINC000484658973 564594436 /nfs/dbraw/zinc/59/44/36/564594436.db2.gz WTLAXZPJTODDNE-HZPDHXFCSA-N 1 0 375.296 2.735 20 0 GFADRO CC(=O)N[C@H](CC(=O)NCCC[C@H]1CCC[NH2+]1)c1ccc(Br)cc1 ZINC000572484177 564596875 /nfs/dbraw/zinc/59/68/75/564596875.db2.gz CUFVKJJRBZTMHC-IAGOWNOFSA-N 1 0 396.329 2.665 20 0 GFADRO C[NH+](C)[C@H]1CCc2cc(NC(=O)c3cc(Cl)sc3S(N)(=O)=O)ccc21 ZINC000456304335 564599600 /nfs/dbraw/zinc/59/96/00/564599600.db2.gz HTRCVAKETQIHCN-ZDUSSCGKSA-N 1 0 399.925 2.850 20 0 GFADRO C[C@H]1CN(C(=O)c2c(Br)cnn2C)CC[N@H+](Cc2ccccc2)C1 ZINC000456303610 564600009 /nfs/dbraw/zinc/60/00/09/564600009.db2.gz JPLFUADRDOVKPQ-CQSZACIVSA-N 1 0 391.313 2.777 20 0 GFADRO C[C@@H]1OCC[C@H]1C(=O)Nc1cc(Br)ccc1N1CC[N@H+](C)C[C@@H]1C ZINC000456369236 564603266 /nfs/dbraw/zinc/60/32/66/564603266.db2.gz LQSUKVAQZOFANY-KCQAQPDRSA-N 1 0 396.329 2.953 20 0 GFADRO CC(C)[C@@H]([NH2+][C@H]1CCc2cccc(Br)c2C1)C(=O)N1CCOCC1 ZINC000549778827 564605216 /nfs/dbraw/zinc/60/52/16/564605216.db2.gz JCKABTOMUAQLFZ-MAUKXSAKSA-N 1 0 395.341 2.779 20 0 GFADRO C[C@@]1(C[NH3+])CCN(C(=O)NCCNc2ncc(C(F)(F)F)cc2Cl)C1 ZINC000572737796 564607867 /nfs/dbraw/zinc/60/78/67/564607867.db2.gz AUMSXOYNYCILHF-AWEZNQCLSA-N 1 0 379.814 2.546 20 0 GFADRO O=S(=O)(Cc1cccc(Br)c1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000520582096 564608009 /nfs/dbraw/zinc/60/80/09/564608009.db2.gz NNQUVTCFHBZKOV-OAHLLOKOSA-N 1 0 387.343 2.600 20 0 GFADRO Brc1ccc(-c2nnc(CNC3CC[NH+](C4CC4)CC3)[nH]2)cc1 ZINC000520751194 564612251 /nfs/dbraw/zinc/61/22/51/564612251.db2.gz GIPLGOHHUJGWRL-UHFFFAOYSA-N 1 0 376.302 2.951 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)c2cn(-c3ccc(Br)cc3)cn2)C1 ZINC000572839878 564613059 /nfs/dbraw/zinc/61/30/59/564613059.db2.gz ABXXGBPTSNCJJB-OLZOCXBDSA-N 1 0 377.286 2.834 20 0 GFADRO CC[C@H]1[NH2+]CC[C@@H]1C(=O)N1CCN(C(=O)c2c(Cl)cccc2Cl)CC1 ZINC000572837768 564613071 /nfs/dbraw/zinc/61/30/71/564613071.db2.gz BYDFHUNPUMFHHP-SWLSCSKDSA-N 1 0 384.307 2.666 20 0 GFADRO O=S(=O)(Cc1cccc(Br)c1)N1CCC([NH2+]CC2CC2)CC1 ZINC000520811217 564613498 /nfs/dbraw/zinc/61/34/98/564613498.db2.gz DFFXAQBUJKQBKT-UHFFFAOYSA-N 1 0 387.343 2.743 20 0 GFADRO [NH3+]C[C@H]1CCCC[C@@]12NC(=O)N(CCOc1ccc(Cl)cc1Cl)C2=O ZINC000520806662 564613774 /nfs/dbraw/zinc/61/37/74/564613774.db2.gz YWQQOGCLHOTTGG-PIGZYNQJSA-N 1 0 386.279 2.812 20 0 GFADRO [NH3+]C[C@@H]1CCCC[C@]12NC(=O)N(CCOc1ccc(Cl)cc1Cl)C2=O ZINC000520806661 564614056 /nfs/dbraw/zinc/61/40/56/564614056.db2.gz YWQQOGCLHOTTGG-GTNSWQLSSA-N 1 0 386.279 2.812 20 0 GFADRO Cc1ccc(C[C@@H](CO)CNC(=O)CC2CC[NH+](C)CC2)cc1Br ZINC000456505987 564615014 /nfs/dbraw/zinc/61/50/14/564615014.db2.gz VYRRSIMBJMDHOS-QGZVFWFLSA-N 1 0 397.357 2.757 20 0 GFADRO C[NH+](C)CCCCC(=O)N1CCN(Cc2ccc(Br)cc2)CC1 ZINC000572933247 564616441 /nfs/dbraw/zinc/61/64/41/564616441.db2.gz CAFJBXAZLMUTNQ-UHFFFAOYSA-N 1 0 382.346 2.825 20 0 GFADRO CC[C@H]([NH2+]C[C@H]1CCCCN1S(=O)(=O)N(C)C)c1ccc(F)cc1F ZINC000572948003 564616504 /nfs/dbraw/zinc/61/65/04/564616504.db2.gz IPTUARHAXJVBKX-PBHICJAKSA-N 1 0 375.485 2.666 20 0 GFADRO CS[C@H]1CN(C(=O)Cc2ccc(F)cc2Br)C[C@H]1[NH+](C)C ZINC000485497814 564617714 /nfs/dbraw/zinc/61/77/14/564617714.db2.gz VKVCQZHIJYZRNT-KGLIPLIRSA-N 1 0 375.307 2.635 20 0 GFADRO CCC(=O)N1CCCC[C@H]1C(=O)Nc1cc(N(C)C)c(Br)cn1 ZINC000456570605 564618461 /nfs/dbraw/zinc/61/84/61/564618461.db2.gz IQYMSNJSACVULY-LBPRGKRZSA-N 1 0 383.290 2.640 20 0 GFADRO CCOCCC[N@@H+]1CC[C@H](NS(=O)(=O)c2cc(Cl)ccc2F)[C@@H](C)C1 ZINC000521079042 564618771 /nfs/dbraw/zinc/61/87/71/564618771.db2.gz KGBPUZVUTQIJIO-BBRMVZONSA-N 1 0 392.924 2.894 20 0 GFADRO CCCCO[C@H](C)C(=O)Nc1cc(Br)cnc1N1CCN(C)CC1 ZINC000456588771 564619576 /nfs/dbraw/zinc/61/95/76/564619576.db2.gz NVFALGPPMRCOBB-CYBMUJFWSA-N 1 0 399.333 2.740 20 0 GFADRO O=c1[nH]c2ccccc2n1CC[NH2+]Cc1cn2ccc(Br)cc2n1 ZINC000521120883 564620331 /nfs/dbraw/zinc/62/03/31/564620331.db2.gz OEIICMKAUGUOLQ-UHFFFAOYSA-N 1 0 386.253 2.942 20 0 GFADRO CC[NH+]1CCC(CNC(=O)c2ccc(I)c(F)c2)CC1 ZINC000573153700 564625542 /nfs/dbraw/zinc/62/55/42/564625542.db2.gz WLUCBTGUKUOSJO-UHFFFAOYSA-N 1 0 390.240 2.892 20 0 GFADRO O=C(NCC1(c2ccccc2Br)CC1)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000485782120 564626066 /nfs/dbraw/zinc/62/60/66/564626066.db2.gz HXYSZUFTLQAJRI-GFCCVEGCSA-N 1 0 389.297 2.711 20 0 GFADRO CSC[C@@H](O)C[NH2+][C@H](c1ccc(C)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000521611670 564631414 /nfs/dbraw/zinc/63/14/14/564631414.db2.gz GPQCARMLRXXORH-PKOBYXMFSA-N 1 0 379.547 2.801 20 0 GFADRO C[C@H]([NH2+]C[C@H]1CCCCN1S(=O)(=O)N(C)C)c1cc2c(s1)CCCC2 ZINC000573284410 564631355 /nfs/dbraw/zinc/63/13/55/564631355.db2.gz YQQBUMIMCYRHQU-GOEBONIOSA-N 1 0 385.599 2.938 20 0 GFADRO CC[NH+](CC)[C@H](CNC(=O)C(=O)NCc1sccc1C)c1ccsc1 ZINC000550789000 564631687 /nfs/dbraw/zinc/63/16/87/564631687.db2.gz QKAQPCJGCJMESV-OAHLLOKOSA-N 1 0 379.551 2.934 20 0 GFADRO C[C@H](NC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C)c1cc2c(cc1Br)OCCO2 ZINC000485974322 564633577 /nfs/dbraw/zinc/63/35/77/564633577.db2.gz CTLSGKFUWIFPTP-GMXVVIOVSA-N 1 0 383.286 2.595 20 0 GFADRO CC(C)[C@H]1CN(c2ncc(Cn3cc(Br)cn3)s2)CC[N@@H+]1C ZINC000485997775 564634599 /nfs/dbraw/zinc/63/45/99/564634599.db2.gz CRDVCTSDYHROBM-CQSZACIVSA-N 1 0 384.347 2.927 20 0 GFADRO O[C@@H](C[NH2+]CCn1cc(Br)cn1)CO[C@@H]1CCCc2ccccc21 ZINC000573359793 564634740 /nfs/dbraw/zinc/63/47/40/564634740.db2.gz JBMYBSIWMVYZKD-FUHWJXTLSA-N 1 0 394.313 2.690 20 0 GFADRO C[C@H](CNS(=O)(=O)c1ccccc1Br)[NH+]1CCC(C)CC1 ZINC000521707057 564634790 /nfs/dbraw/zinc/63/47/90/564634790.db2.gz LODXPWLNYFIXGS-CYBMUJFWSA-N 1 0 375.332 2.848 20 0 GFADRO Cn1cc(Br)c(-c2nc(-c3ccc(OCC[NH+](C)C)cc3)no2)n1 ZINC000550968070 564635502 /nfs/dbraw/zinc/63/55/02/564635502.db2.gz LMEVZTRFAUNIMB-UHFFFAOYSA-N 1 0 392.257 2.840 20 0 GFADRO C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)NCc3c(Cl)cccc3Cl)CC[C@H]21 ZINC000551111435 564638156 /nfs/dbraw/zinc/63/81/56/564638156.db2.gz LHJVAMZDPBHTJN-BLLLJJGKSA-N 1 0 384.307 2.552 20 0 GFADRO CCC[C@@H]1C[NH2+]CCN1C(=O)NCc1cc(Br)cc2c1OCC2 ZINC000573465083 564639457 /nfs/dbraw/zinc/63/94/57/564639457.db2.gz VAIVPNRNJAIFFM-OAHLLOKOSA-N 1 0 382.302 2.668 20 0 GFADRO COc1cc(Br)c(C[NH2+][C@H](C2CC2)[C@@]2(CO)CCCO2)cc1O ZINC000573467401 564639515 /nfs/dbraw/zinc/63/95/15/564639515.db2.gz WVDZBZNNHQSSDR-SJORKVTESA-N 1 0 386.286 2.573 20 0 GFADRO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)Nc1cc(F)c(I)c(F)c1 ZINC000486120224 564640561 /nfs/dbraw/zinc/64/05/61/564640561.db2.gz MGKFTQSWSHPJIL-CBAPKCEASA-N 1 0 380.176 2.706 20 0 GFADRO Cc1nn(-c2ccc(C(=O)N(C)C3CC([NH3+])C3)cc2)c(C)c1Br ZINC000573487734 564640793 /nfs/dbraw/zinc/64/07/93/564640793.db2.gz KGDXTLJTOKCVIK-UHFFFAOYSA-N 1 0 377.286 2.813 20 0 GFADRO CC1(C)C[NH2+]CC[C@H]1NC(=O)c1ccc(-n2cc(Br)cn2)cc1 ZINC000521970204 564640901 /nfs/dbraw/zinc/64/09/01/564640901.db2.gz USUFKOBGYPZCNK-OAHLLOKOSA-N 1 0 377.286 2.753 20 0 GFADRO O=S(=O)(c1cccs1)N1CCC[C@@H]([NH2+]C2CCC3(CCCO3)CC2)C1 ZINC000573515021 564641800 /nfs/dbraw/zinc/64/18/00/564641800.db2.gz WVKODEXFJOWWJX-UPTPFMHGSA-N 1 0 384.567 2.983 20 0 GFADRO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)Nc1ccnn1Cc1ccc(Br)cc1 ZINC000486205190 564643892 /nfs/dbraw/zinc/64/38/92/564643892.db2.gz RLYWMDXKBDWJRF-DOMZBBRYSA-N 1 0 377.286 2.830 20 0 GFADRO C[C@H]1CN(Cc2cc(C(F)(F)F)ccc2Br)CC[N@@H+]1CCO ZINC000573617213 564646041 /nfs/dbraw/zinc/64/60/41/564646041.db2.gz WWMLYHDYXMWDCY-NSHDSACASA-N 1 0 381.236 2.966 20 0 GFADRO CN(CC(F)(F)F)C(=O)C[NH2+][C@@H](c1cncc(Br)c1)C1CC1 ZINC000551417409 564648892 /nfs/dbraw/zinc/64/88/92/564648892.db2.gz AIODWTNBMSYKOI-CYBMUJFWSA-N 1 0 380.208 2.906 20 0 GFADRO O=C(N[C@@H]1CCN(c2ccccc2Br)C1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000522287011 564649166 /nfs/dbraw/zinc/64/91/66/564649166.db2.gz BDDRTTMLPYSVGH-ZIAGYGMSSA-N 1 0 393.329 2.564 20 0 GFADRO COC(=O)CN(CCc1ccc(Cl)cc1Cl)C(=O)[C@@H]1C[N@H+](C)C[C@@H]1C ZINC000486387710 564650574 /nfs/dbraw/zinc/65/05/74/564650574.db2.gz OUKNFACYHBXXKY-SWLSCSKDSA-N 1 0 387.307 2.735 20 0 GFADRO CC(C)[N@H+](C)C[C@H](O)CN1C(=O)CC(c2c(Cl)cccc2Cl)CC1=O ZINC000573699140 564650640 /nfs/dbraw/zinc/65/06/40/564650640.db2.gz ICEFWNSMQXIJEX-ZDUSSCGKSA-N 1 0 387.307 2.927 20 0 GFADRO CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)Nc1cc(Br)c(C)cc1C ZINC000486386694 564650908 /nfs/dbraw/zinc/65/09/08/564650908.db2.gz LMERTXZWGXBOGP-AWEZNQCLSA-N 1 0 396.329 2.995 20 0 GFADRO CC[N@H+](CCNC(=O)c1cnn(-c2ccc(Br)cc2)c1)C1CC1 ZINC000522423022 564650934 /nfs/dbraw/zinc/65/09/34/564650934.db2.gz IWVCYLSCUKOGBD-UHFFFAOYSA-N 1 0 377.286 2.849 20 0 GFADRO C[C@H](CNC(=O)C(=O)N(C)Cc1ccc(Cl)c(Cl)c1)C[NH+]1CCCC1 ZINC000551480561 564651303 /nfs/dbraw/zinc/65/13/03/564651303.db2.gz SFDDHCQZPQPTME-CYBMUJFWSA-N 1 0 386.323 2.800 20 0 GFADRO C[C@@H](CNC(=O)C(=O)N(C)Cc1ccc(Cl)c(Cl)c1)C[NH+]1CCCC1 ZINC000551480562 564651849 /nfs/dbraw/zinc/65/18/49/564651849.db2.gz SFDDHCQZPQPTME-ZDUSSCGKSA-N 1 0 386.323 2.800 20 0 GFADRO O=C(N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)N[C@@H]1CCOc2c(Br)cccc21 ZINC000573786338 564654055 /nfs/dbraw/zinc/65/40/55/564654055.db2.gz YGZHBHOEWRKZRL-OQMKEHIESA-N 1 0 394.313 2.960 20 0 GFADRO O=C(NC[C@H]1C[NH2+]CCO1)N[C@@H](c1ccc(Br)cc1)C1CCC1 ZINC000573820022 564656180 /nfs/dbraw/zinc/65/61/80/564656180.db2.gz TWAOFTJCGPQZBN-HZPDHXFCSA-N 1 0 382.302 2.578 20 0 GFADRO CS(=O)(=O)N[C@@H]1CCC[C@H]1C[NH2+]Cc1c(F)cccc1OC(F)(F)F ZINC000551597262 564657341 /nfs/dbraw/zinc/65/73/41/564657341.db2.gz PEHZRQCDFGPEKX-GXFFZTMASA-N 1 0 384.395 2.532 20 0 GFADRO COCCOC[C@@H](O)C[NH2+][C@H]1CCCN(c2ccc(Cl)cc2Cl)C1 ZINC000573913218 564660009 /nfs/dbraw/zinc/66/00/09/564660009.db2.gz APSBHMUTKQLHJH-GJZGRUSLSA-N 1 0 377.312 2.576 20 0 GFADRO C[C@@H](NC(=O)NC[C@H]1CCCC[N@@H+]1CCO)c1ccccc1Br ZINC000457458047 564662554 /nfs/dbraw/zinc/66/25/54/564662554.db2.gz LWMDUTICMUDCMK-ZIAGYGMSSA-N 1 0 384.318 2.656 20 0 GFADRO Cc1cc(S(=O)(=O)N2CC[C@H]3CC[N@@H+](C)C[C@H]32)c(C)cc1Br ZINC000486696682 564663136 /nfs/dbraw/zinc/66/31/36/564663136.db2.gz MVPVEYBJVINMBE-UKRRQHHQSA-N 1 0 387.343 2.781 20 0 GFADRO COC(=O)c1ccc(C[NH2+]CCc2c(C)nn(C)c2C)c(Br)c1 ZINC000551786849 564663189 /nfs/dbraw/zinc/66/31/89/564663189.db2.gz FNCAFPXIIVQKMH-UHFFFAOYSA-N 1 0 380.286 2.918 20 0 GFADRO C[NH+]1CCC(CC(=O)N2CCN(Cc3ccc(Br)cc3)CC2)CC1 ZINC000486705681 564663997 /nfs/dbraw/zinc/66/39/97/564663997.db2.gz JFLJBMORQVVZGO-UHFFFAOYSA-N 1 0 394.357 2.825 20 0 GFADRO C[N@@H+]1C[C@@H](NS(=O)(=O)Cc2ccc(Cl)c(F)c2)[C@@H](c2ccccc2)C1 ZINC000574052492 564666404 /nfs/dbraw/zinc/66/64/04/564666404.db2.gz MOMPDBGUKXFFCO-CRAIPNDOSA-N 1 0 382.888 2.996 20 0 GFADRO C[NH+](C)C[C@H]1CCN(C(=O)c2cn(Cc3ccc(Cl)cc3Cl)nn2)C1 ZINC000457594388 564666590 /nfs/dbraw/zinc/66/65/90/564666590.db2.gz ZNUPEFNHDQJFHR-GFCCVEGCSA-N 1 0 382.295 2.657 20 0 GFADRO C[C@@H]1CN(CCNC(=O)COc2cc(Cl)c(Cl)cc2Cl)CCO1 ZINC000523436034 564667638 /nfs/dbraw/zinc/66/76/38/564667638.db2.gz JVOOBXDGMRFXDX-SNVBAGLBSA-N 1 0 381.687 2.863 20 0 GFADRO CC[NH+](CC)CC[C@@H](CO)NC(=O)CCc1cc(Br)cs1 ZINC000551942028 564669852 /nfs/dbraw/zinc/66/98/52/564669852.db2.gz HIAOYNUHTCHIOM-ZDUSSCGKSA-N 1 0 377.348 2.652 20 0 GFADRO CCC1(CC)[C@H]([NH2+]C[C@@H]2CCN(S(=O)(=O)c3cccs3)C2)C[C@@H]1OC ZINC000574180744 564670619 /nfs/dbraw/zinc/67/06/19/564670619.db2.gz HSRCAMMOIGMZCZ-XHSDSOJGSA-N 1 0 386.583 2.942 20 0 GFADRO CC[NH+](CC)C[C@H](C)NC(=O)[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000523660229 564670704 /nfs/dbraw/zinc/67/07/04/564670704.db2.gz MGNPSNOYUIUOQG-BBRMVZONSA-N 1 0 396.329 2.649 20 0 GFADRO CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)c1cc(Br)co1 ZINC000457736168 564670991 /nfs/dbraw/zinc/67/09/91/564670991.db2.gz MBFLGJFFWZOBMG-GOSISDBHSA-N 1 0 393.281 2.751 20 0 GFADRO CC[NH2+][C@H](C)CNC(=O)C(=O)Nc1ccc(C(F)(F)F)c(Br)c1 ZINC000574383200 564671729 /nfs/dbraw/zinc/67/17/29/564671729.db2.gz XBCWDIXCKNMRSX-MRVPVSSYSA-N 1 0 396.207 2.521 20 0 GFADRO C[C@@H](Oc1cc(Cl)cc(Cl)c1)C(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000523871086 564673430 /nfs/dbraw/zinc/67/34/30/564673430.db2.gz SJAHDCZZTJQVFF-CZUORRHYSA-N 1 0 389.323 2.970 20 0 GFADRO C[N@H+](CCNC(=O)NCC(=O)Nc1cccc(Br)c1)C1CCCC1 ZINC000487040400 564673549 /nfs/dbraw/zinc/67/35/49/564673549.db2.gz VSUNGMQGHNFGKU-UHFFFAOYSA-N 1 0 397.317 2.561 20 0 GFADRO Cc1c(C(=O)NCCC[NH2+]C2CC2)cnn1-c1ccc(Br)cc1 ZINC000574454046 564674135 /nfs/dbraw/zinc/67/41/35/564674135.db2.gz MZDAPBNUFUSEJY-UHFFFAOYSA-N 1 0 377.286 2.815 20 0 GFADRO C[C@@H]1CN(C(=O)NCCC(=O)Nc2ccc(Br)cc2)C[C@H](C)[N@H+]1C ZINC000457910219 564678761 /nfs/dbraw/zinc/67/87/61/564678761.db2.gz JHJBJRGDMTYMKE-BETUJISGSA-N 1 0 397.317 2.512 20 0 GFADRO CCC(CC)[C@@H](O)C[NH2+]CCS(=O)(=O)c1cccc(Br)c1 ZINC000574572060 564680162 /nfs/dbraw/zinc/68/01/62/564680162.db2.gz HESAUAKDGZEENF-HNNXBMFYSA-N 1 0 378.332 2.610 20 0 GFADRO CN(C)CC[N@H+](C)CCCN(C)C(=O)COc1cc(Cl)ccc1Cl ZINC000574602970 564680750 /nfs/dbraw/zinc/68/07/50/564680750.db2.gz JDMXSHUCVWXABG-UHFFFAOYSA-N 1 0 376.328 2.714 20 0 GFADRO O=C(N[C@@H]1CCc2cc(Br)ccc21)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000457960208 564681401 /nfs/dbraw/zinc/68/14/01/564681401.db2.gz XPSQUPWSLXRFRD-NVXWUHKLSA-N 1 0 396.329 2.582 20 0 GFADRO O=S1(=O)CCC(O)(C[NH2+]Cc2ccccc2Sc2ccccc2)CC1 ZINC000574684916 564684894 /nfs/dbraw/zinc/68/48/94/564684894.db2.gz UGSNZXTZQORQMY-UHFFFAOYSA-N 1 0 377.531 2.867 20 0 GFADRO C[N@@H+]1CCC[C@@]2(CCN(Cc3ncc(I)s3)C2)C1 ZINC000552357520 564686854 /nfs/dbraw/zinc/68/68/54/564686854.db2.gz DAUUIHYQOSGPGE-CYBMUJFWSA-N 1 0 377.295 2.665 20 0 GFADRO COCCN(CC[NH+](C)C)C(=O)C1(c2ccc(Br)cc2)CCC1 ZINC000552351431 564686934 /nfs/dbraw/zinc/68/69/34/564686934.db2.gz VUISJJMKKISRCV-UHFFFAOYSA-N 1 0 383.330 2.907 20 0 GFADRO CCCC[N@H+](C)CCNC(=O)N(CCO)Cc1cccc(Br)c1 ZINC000487475272 564688917 /nfs/dbraw/zinc/68/89/17/564688917.db2.gz OJVMTVOSNOIRQT-UHFFFAOYSA-N 1 0 386.334 2.685 20 0 GFADRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1c1ncnc2ccc(I)cc21 ZINC000552394421 564689438 /nfs/dbraw/zinc/68/94/38/564689438.db2.gz PRMABSHLVKIMPQ-GHMZBOCLSA-N 1 0 382.249 2.763 20 0 GFADRO Cc1cc(Br)cn2c(C[NH2+][C@H](C3CC3)[C@@]3(CO)CCCO3)cnc12 ZINC000552422950 564690305 /nfs/dbraw/zinc/69/03/05/564690305.db2.gz KYGRUIWTPDZKPU-AEFFLSMTSA-N 1 0 394.313 2.815 20 0 GFADRO Cc1cc(Br)cn2c(C[NH2+][C@H](C3CC3)[C@]3(CO)CCCO3)cnc12 ZINC000552422952 564690835 /nfs/dbraw/zinc/69/08/35/564690835.db2.gz KYGRUIWTPDZKPU-SJLPKXTDSA-N 1 0 394.313 2.815 20 0 GFADRO CC[NH2+]CC1CCN(C(=O)[C@](N)(c2cccc(Cl)c2)C(F)(F)F)CC1 ZINC000575044593 564691808 /nfs/dbraw/zinc/69/18/08/564691808.db2.gz HUKLOXPMMFINRE-MRXNPFEDSA-N 1 0 377.838 2.904 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C(=O)N1C[C@H](C[NH3+])C[C@H]1C ZINC000575044785 564691842 /nfs/dbraw/zinc/69/18/42/564691842.db2.gz YNNWIHPXLZGRJN-YPMHNXCESA-N 1 0 377.286 2.753 20 0 GFADRO C[NH+](C)Cc1ccccc1C(=O)NCc1ccc(S(C)(=O)=O)c(Cl)c1 ZINC000487611692 564692976 /nfs/dbraw/zinc/69/29/76/564692976.db2.gz WARIRBPRLYOYKM-UHFFFAOYSA-N 1 0 380.897 2.735 20 0 GFADRO O[C@H](C[NH2+]Cc1cc(F)cc(Br)c1)COc1ccc2c(c1)OCO2 ZINC000552494130 564693130 /nfs/dbraw/zinc/69/31/30/564693130.db2.gz XKVLOXQGJYWENO-CQSZACIVSA-N 1 0 398.228 2.846 20 0 GFADRO Cc1cc(NC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)nn1-c1ccc(Cl)cc1Cl ZINC000575233631 564694235 /nfs/dbraw/zinc/69/42/35/564694235.db2.gz SPEMEOANZVPINL-ABAIWWIYSA-N 1 0 380.279 3.313 20 0 GFADRO C[C@@H](CC[NH+](C)C)NC(=O)N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000487875213 564698296 /nfs/dbraw/zinc/69/82/96/564698296.db2.gz GXZCCACZGIUZFP-XHDPSFHLSA-N 1 0 387.311 2.738 20 0 GFADRO Cc1cc(N2CC[C@H]([NH2+][C@@H](C)Cc3cnccn3)C2=O)ccc1Br ZINC000575600749 564700236 /nfs/dbraw/zinc/70/02/36/564700236.db2.gz LXHHMQOSGMILEQ-GUYCJALGSA-N 1 0 389.297 2.874 20 0 GFADRO COc1ccc(OC)c(C[NH2+]C[C@H](O)COc2cccc(Br)c2)c1 ZINC000552810138 564701687 /nfs/dbraw/zinc/70/16/87/564701687.db2.gz NQCKJMOBOFQQNS-HNNXBMFYSA-N 1 0 396.281 2.996 20 0 GFADRO CN(C(=O)[C@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1)[C@@H]1CCC[N@H+](C)C1 ZINC000525522359 564702617 /nfs/dbraw/zinc/70/26/17/564702617.db2.gz CEIMAUPROYXTSK-SWLSCSKDSA-N 1 0 384.307 2.899 20 0 GFADRO C[C@H]([NH2+]C[C@H]1CS(=O)(=O)CCO1)c1ccc(SCC(F)(F)F)cc1 ZINC000552930068 564704295 /nfs/dbraw/zinc/70/42/95/564704295.db2.gz MIMUQBVSINQHBT-AAEUAGOBSA-N 1 0 383.457 2.805 20 0 GFADRO C[C@H](Cc1ccccc1Br)NC(=O)NC[C@H]1CCC[N@@H+]1CCCO ZINC000458532079 564704580 /nfs/dbraw/zinc/70/45/80/564704580.db2.gz BBVTZPPAXSXATC-GDBMZVCRSA-N 1 0 398.345 2.526 20 0 GFADRO COc1ccc(S(=O)(=O)N2CC[C@@H]([NH+]3CCCC3)C2)c(Cl)c1Cl ZINC000525689091 564705200 /nfs/dbraw/zinc/70/52/00/564705200.db2.gz OCXOFZNEMWSGCU-LLVKDONJSA-N 1 0 379.309 2.861 20 0 GFADRO COCC[NH+]1CCC(Nc2ncc(Br)c(OC(C)(C)C)n2)CC1 ZINC000552999346 564706266 /nfs/dbraw/zinc/70/62/66/564706266.db2.gz ADXFYFJNQHFJFF-UHFFFAOYSA-N 1 0 387.322 2.939 20 0 GFADRO OCC[N@@H+](Cc1cccc(Br)c1)C[C@H](O)COc1ccc(F)cc1 ZINC000488181848 564706638 /nfs/dbraw/zinc/70/66/38/564706638.db2.gz JTHQLTOYTULGHG-KRWDZBQOSA-N 1 0 398.272 2.822 20 0 GFADRO C[C@@H]1CSCC[N@H+](CC(=O)NCCOc2cccc(C(F)(F)F)c2)C1 ZINC000488194821 564706712 /nfs/dbraw/zinc/70/67/12/564706712.db2.gz FNOKGEIZCRXIHF-ZDUSSCGKSA-N 1 0 376.444 2.885 20 0 GFADRO [NH3+][C@H](CNC(=O)N1CCC[C@@H](Nc2cccc(Br)c2)C1)C1CC1 ZINC000576212153 564707629 /nfs/dbraw/zinc/70/76/29/564707629.db2.gz ATIIRVYGFDWSGZ-HZPDHXFCSA-N 1 0 381.318 2.772 20 0 GFADRO O=C([C@H]1C[NH2+]Cc2ccccc21)N1CCC(n2cc(Br)cn2)CC1 ZINC000576224225 564708357 /nfs/dbraw/zinc/70/83/57/564708357.db2.gz FLHVVALTTXSXNV-KRWDZBQOSA-N 1 0 389.297 2.696 20 0 GFADRO Cc1cc(Br)cn2cc(CNC(=O)NC[C@@H]3CCCC[C@H]3O)nc12 ZINC000458642264 564709733 /nfs/dbraw/zinc/70/97/33/564709733.db2.gz CWSRALXNYVAPOE-SWLSCSKDSA-N 1 0 395.301 2.756 20 0 GFADRO CC[C@H]1[C@@H](CO)CCN1C(=O)NCc1cn2cc(Br)cc(C)c2n1 ZINC000458645216 564709833 /nfs/dbraw/zinc/70/98/33/564709833.db2.gz FYDRWLPCNZTZQT-DOMZBBRYSA-N 1 0 395.301 2.708 20 0 GFADRO CC[C@H]1[NH2+]CC[C@@H]1C(=O)NCc1ccc(I)c(Cl)c1 ZINC000576344498 564712615 /nfs/dbraw/zinc/71/26/15/564712615.db2.gz SYXFDTFEPKZMCN-GXFFZTMASA-N 1 0 392.668 2.949 20 0 GFADRO COc1ccc([C@H](C)[NH2+]C2CCC3(CC2)NC(=O)NC3=O)cc1Br ZINC000553259031 564714280 /nfs/dbraw/zinc/71/42/80/564714280.db2.gz VGIGOYIKGBLPFB-JJMSQDNMSA-N 1 0 396.285 2.629 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)NCc1ccc(C[S@](C)=O)cc1)c1ccsc1 ZINC000553388781 564717780 /nfs/dbraw/zinc/71/77/80/564717780.db2.gz NCPBXBZZMLALNM-GKVSMKOHSA-N 1 0 379.551 2.729 20 0 GFADRO CC[C@H](C)[NH2+][C@@H](CNC(=O)NCc1nn(C)cc1Br)c1ccco1 ZINC000458774864 564717855 /nfs/dbraw/zinc/71/78/55/564717855.db2.gz QSWIXOUFTZADBD-FZMZJTMJSA-N 1 0 398.305 2.704 20 0 GFADRO O=C([C@@H]1C[C@@H]1c1ccc(Br)cc1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000488841733 564721867 /nfs/dbraw/zinc/72/18/67/564721867.db2.gz PSXAEPUKPWTNNL-BMGDILEWSA-N 1 0 393.325 2.733 20 0 GFADRO Cc1cc(S(=O)(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)ccc1Br ZINC000576989449 564722728 /nfs/dbraw/zinc/72/27/28/564722728.db2.gz GVMIJWYVWLPAMR-KBPBESRZSA-N 1 0 387.343 2.768 20 0 GFADRO Cc1nc(CNC(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)sc1Br ZINC000458919639 564723873 /nfs/dbraw/zinc/72/38/73/564723873.db2.gz DWCNKGQIVOXARS-GXSJLCMTSA-N 1 0 375.336 2.838 20 0 GFADRO Cc1nc(CNC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)sc1Br ZINC000458919642 564724064 /nfs/dbraw/zinc/72/40/64/564724064.db2.gz DWCNKGQIVOXARS-MWLCHTKSSA-N 1 0 375.336 2.838 20 0 GFADRO Brc1cc(C[NH2+][C@H]2CCOC3(CCOCC3)C2)cc2c1OCO2 ZINC000553541042 564724796 /nfs/dbraw/zinc/72/47/96/564724796.db2.gz BTEFDORKNFDNFJ-ZDUSSCGKSA-N 1 0 384.270 2.996 20 0 GFADRO CCCNC(=O)[C@@H]1CCC[N@H+](Cc2cn3ccc(Br)cc3n2)C1 ZINC000577112637 564725218 /nfs/dbraw/zinc/72/52/18/564725218.db2.gz ZPDMKIISCRARFY-CYBMUJFWSA-N 1 0 379.302 2.835 20 0 GFADRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NCC(=O)Nc1cc(Cl)ccc1Cl ZINC000527224817 564734235 /nfs/dbraw/zinc/73/42/35/564734235.db2.gz UZPNNYNBVIDDBD-BONVTDFDSA-N 1 0 385.295 2.714 20 0 GFADRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NCC(=O)Nc1cc(Cl)ccc1Cl ZINC000527224821 564734701 /nfs/dbraw/zinc/73/47/01/564734701.db2.gz UZPNNYNBVIDDBD-ZUZCIYMTSA-N 1 0 385.295 2.714 20 0 GFADRO CC[C@@H]1CN(C(=O)NCc2ccc(Br)c(C)c2)CC[N@@H+]1C[C@H](C)O ZINC000459172221 564734792 /nfs/dbraw/zinc/73/47/92/564734792.db2.gz JCKZILDHKOJEIV-GOEBONIOSA-N 1 0 398.345 2.744 20 0 GFADRO C[C@H]1C[C@@H](N(C)C(=O)NCc2nc3c(cccc3Br)[nH]2)CC[N@@H+]1C ZINC000459193831 564734978 /nfs/dbraw/zinc/73/49/78/564734978.db2.gz FXDTWKGFVQDMOD-RYUDHWBXSA-N 1 0 394.317 2.950 20 0 GFADRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)Cc1ccccc1I ZINC000553772815 564735261 /nfs/dbraw/zinc/73/52/61/564735261.db2.gz QOKGVZINULJXJD-BBRMVZONSA-N 1 0 398.288 2.919 20 0 GFADRO CC[N@H+](CCOc1ccc(Br)cc1)[C@H](C)C(=O)NC[C@H]1CCCO1 ZINC000489328194 564735789 /nfs/dbraw/zinc/73/57/89/564735789.db2.gz KZBOTFVORJYHNS-RHSMWYFYSA-N 1 0 399.329 2.834 20 0 GFADRO O=C(NCCC[C@@H]1CCC[NH2+]1)c1cc(=O)[nH]c2c(Br)cccc12 ZINC000577512071 564735866 /nfs/dbraw/zinc/73/58/66/564735866.db2.gz HUFAKKNCVWZLRN-NSHDSACASA-N 1 0 378.270 2.965 20 0 GFADRO C[N@@H+]1CCC[C@H](CCNC(=O)N[C@H](CO)c2ccc(Br)cc2)C1 ZINC000459328778 564739802 /nfs/dbraw/zinc/73/98/02/564739802.db2.gz YNPOBWKRADJDIY-CZUORRHYSA-N 1 0 384.318 2.514 20 0 GFADRO C[N@@H+]1CC[C@H](CNC(=O)[C@H](N)c2cscn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000578063087 564740455 /nfs/dbraw/zinc/74/04/55/564740455.db2.gz ZHLHOWXDMBCDBP-LYRGGWFBSA-N 1 0 382.892 2.745 20 0 GFADRO O=C(CC[C@@H]1CC[NH2+]C1)NCc1cc(Cl)cc(I)c1 ZINC000578354886 564743243 /nfs/dbraw/zinc/74/32/43/564743243.db2.gz KWAPFCXPLDGYBH-SNVBAGLBSA-N 1 0 392.668 2.951 20 0 GFADRO C[C@@H](O)C[N@@H+]1CCN(Cc2nc(-c3ccc(Br)cc3)c[nH]2)[C@H](C)C1 ZINC000578345641 564743379 /nfs/dbraw/zinc/74/33/79/564743379.db2.gz UDSKALJNFXRWNO-ZIAGYGMSSA-N 1 0 393.329 2.726 20 0 GFADRO C[C@@H]1NC(=O)N(CC[NH+]2CCC(C)(c3ccc(Br)cc3)CC2)C1=O ZINC000459430620 564744887 /nfs/dbraw/zinc/74/48/87/564744887.db2.gz JCJZQMUYDHLLSK-ZDUSSCGKSA-N 1 0 394.313 2.743 20 0 GFADRO C[C@H]([NH2+]Cc1ccc(S(=O)(=O)N(C)C)cc1)c1cncc(Br)c1 ZINC000579258819 564746562 /nfs/dbraw/zinc/74/65/62/564746562.db2.gz AMNGLRPDSFDLPU-LBPRGKRZSA-N 1 0 398.326 2.945 20 0 GFADRO CC[NH+]1CCN(CC(=O)N[C@@H]2c3cc(Br)ccc3CC2(C)C)CC1 ZINC000553970665 564747157 /nfs/dbraw/zinc/74/71/57/564747157.db2.gz WWDRIDVVMDCHKJ-GOSISDBHSA-N 1 0 394.357 2.826 20 0 GFADRO C[N@@H+]1CCC[C@H](CNC(=O)N2CCSC[C@H]2CCO)[C@@H]1c1cccs1 ZINC000579626405 564748983 /nfs/dbraw/zinc/74/89/83/564748983.db2.gz WWCYAYNMBRLSJE-BFYDXBDKSA-N 1 0 383.583 2.640 20 0 GFADRO CNC(=O)[C@H](CCSC)[NH2+][C@H](C)c1ccc(I)cc1 ZINC000489763443 564751527 /nfs/dbraw/zinc/75/15/27/564751527.db2.gz FYRJXXLBQVDMJH-MFKMUULPSA-N 1 0 392.306 2.810 20 0 GFADRO COc1ccc(Br)cc1C[C@@H](CO)C[NH2+]C1CCN(C2CC2)CC1 ZINC000459565292 564751539 /nfs/dbraw/zinc/75/15/39/564751539.db2.gz GLHGUBKSNVKGDR-CQSZACIVSA-N 1 0 397.357 2.825 20 0 GFADRO C[NH+](C)CCN1CCC([NH2+]Cc2ncc(Cl)cc2Br)CC1 ZINC000527636427 564752341 /nfs/dbraw/zinc/75/23/41/564752341.db2.gz OQGGNRSECGREGJ-UHFFFAOYSA-N 1 0 375.742 2.613 20 0 GFADRO CCOC(=O)c1cc(Cl)cc(S(=O)(=O)N2CCC[N@H+](C)C[C@@H]2CC)c1 ZINC000489799969 564753306 /nfs/dbraw/zinc/75/33/06/564753306.db2.gz WNOWVTKBZMOGQD-HNNXBMFYSA-N 1 0 388.917 2.622 20 0 GFADRO C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)C[C@@H](O)Cc1cccc(Cl)c1 ZINC000554222537 564753670 /nfs/dbraw/zinc/75/36/70/564753670.db2.gz NJMMBWGKMWLQNE-DYVFJYSZSA-N 1 0 382.913 2.584 20 0 GFADRO COc1cc(C[NH2+][C@@H]2CCC[C@H]2CNS(C)(=O)=O)cc(C(F)(F)F)c1 ZINC000527703564 564756654 /nfs/dbraw/zinc/75/66/54/564756654.db2.gz KINKVPASOCHXCN-SWLSCSKDSA-N 1 0 380.432 2.522 20 0 GFADRO CS(=O)(=O)NC[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(Br)c(F)c1F ZINC000527705313 564757438 /nfs/dbraw/zinc/75/74/38/564757438.db2.gz UXTGJFGBBTZOMJ-SKDRFNHKSA-N 1 0 397.285 2.535 20 0 GFADRO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[NH2+]C1(CO)CCSCC1 ZINC000459719270 564759079 /nfs/dbraw/zinc/75/90/79/564759079.db2.gz VWHLZZAPNDEXBZ-UHFFFAOYSA-N 1 0 377.337 2.800 20 0 GFADRO O[C@H](C[NH2+]Cc1ccc(Br)c(Br)c1)[C@@H]1CCCO1 ZINC000527758078 564759789 /nfs/dbraw/zinc/75/97/89/564759789.db2.gz MBFMGDMVPYJHAD-OLZOCXBDSA-N 1 0 379.092 2.841 20 0 GFADRO CC[C@@H]1OCC[C@H]1[NH2+][C@@H](C)C(=O)Nc1ccc(I)cc1 ZINC000459780773 564760644 /nfs/dbraw/zinc/76/06/44/564760644.db2.gz RUAUVEPVUZLFOE-GDLCADMTSA-N 1 0 388.249 2.775 20 0 GFADRO COc1ccc(C[NH2+][C@@]2(CO)COc3ccccc3C2)c(Br)c1 ZINC000527771033 564760862 /nfs/dbraw/zinc/76/08/62/564760862.db2.gz ZNOILNHJRHVBPE-SFHVURJKSA-N 1 0 378.266 2.914 20 0 GFADRO CC(C)(C[NH2+]Cc1cn2ccc(Br)cc2n1)C(=O)N1CCCC1 ZINC000527811490 564761494 /nfs/dbraw/zinc/76/14/94/564761494.db2.gz IUSHLUIDQTYJTR-UHFFFAOYSA-N 1 0 379.302 2.835 20 0 GFADRO CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]CC(C)(C)C(=O)N1CCCC1 ZINC000527811485 564761772 /nfs/dbraw/zinc/76/17/72/564761772.db2.gz IRARWNZXFHVXQP-UHFFFAOYSA-N 1 0 386.945 2.872 20 0 GFADRO C[C@@H]([NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1)c1cc(F)c(Br)cc1F ZINC000527874183 564763369 /nfs/dbraw/zinc/76/33/69/564763369.db2.gz BHUJCQCLSFNYDM-ZJUUUORDSA-N 1 0 397.285 2.659 20 0 GFADRO C[N@H+](CC(=O)NCC(=O)Nc1ccccc1Br)C1(C)CCCC1 ZINC000490105348 564764037 /nfs/dbraw/zinc/76/40/37/564764037.db2.gz QPSLNROYCAWIOM-UHFFFAOYSA-N 1 0 382.302 2.768 20 0 GFADRO CC(C)[C@H](C(=O)N1CCN(Cc2ccc(Br)cc2)CC1)[C@@H](C)[NH3+] ZINC000580556345 564764172 /nfs/dbraw/zinc/76/41/72/564764172.db2.gz MMETWBSSQVTDBK-PBHICJAKSA-N 1 0 382.346 2.713 20 0 GFADRO Cc1cccc(Br)c1C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000580609687 564766739 /nfs/dbraw/zinc/76/67/39/564766739.db2.gz HTLNFPJIAXQFIV-UHFFFAOYSA-N 1 0 377.286 3.473 20 0 GFADRO CC(C)[C@@H]1C[NH2+]CCN1S(=O)(=O)c1cc(Cl)ccc1Br ZINC000528049493 564768096 /nfs/dbraw/zinc/76/80/96/564768096.db2.gz PIWNFFVRVSNXSB-LBPRGKRZSA-N 1 0 381.723 2.721 20 0 GFADRO O=S(=O)(c1ccc(C(F)(F)F)s1)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000528060995 564768893 /nfs/dbraw/zinc/76/88/93/564768893.db2.gz PARGEEWVYLHIKW-LBPRGKRZSA-N 1 0 398.472 2.546 20 0 GFADRO CC(C)(C)c1ccc(S(=O)(=O)N2CCC(CO[C@H]3CC[NH2+]C3)CC2)s1 ZINC000528060963 564768918 /nfs/dbraw/zinc/76/89/18/564768918.db2.gz OHDZQHBYAAAFLX-HNNXBMFYSA-N 1 0 386.583 2.825 20 0 GFADRO CN(CCC[NH+]1CCCC1)C(=O)C(=O)N(C)Cc1cc(Cl)cc(Cl)c1 ZINC000460044289 564768994 /nfs/dbraw/zinc/76/89/94/564768994.db2.gz ZMJWZVIENKESJX-UHFFFAOYSA-N 1 0 386.323 2.896 20 0 GFADRO CC(=O)N1CCC[C@H](C[NH2+]C[C@@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000580709862 564770094 /nfs/dbraw/zinc/77/00/94/564770094.db2.gz GLWANVVMYCXUJM-ZIAGYGMSSA-N 1 0 375.296 2.581 20 0 GFADRO CCOC(=O)CC[C@H](O)C[NH2+][C@H](C)Cc1ccc(F)c(Br)c1 ZINC000580710017 564770419 /nfs/dbraw/zinc/77/04/19/564770419.db2.gz RUTCVRFBGMBCDC-YPMHNXCESA-N 1 0 376.266 2.813 20 0 GFADRO CC[NH+](CC)CCOCCNC(=O)Nc1ccc(Br)c(OC)c1 ZINC000460126829 564770800 /nfs/dbraw/zinc/77/08/00/564770800.db2.gz ZPZMFBSYPKZFBU-UHFFFAOYSA-N 1 0 388.306 2.938 20 0 GFADRO COCCN(CC[NH+](C)C)C(=O)Nc1cc(F)cc(Br)c1F ZINC000490525668 564775565 /nfs/dbraw/zinc/77/55/65/564775565.db2.gz BCOSVHUSBLRCDV-UHFFFAOYSA-N 1 0 380.233 2.769 20 0 GFADRO CCCC[N@H+](C)C[C@@H](C)NS(=O)(=O)c1ccc(C(=O)OC)cc1Cl ZINC000554912673 564777384 /nfs/dbraw/zinc/77/73/84/564777384.db2.gz MWAHMQIWOPEYIY-GFCCVEGCSA-N 1 0 376.906 2.525 20 0 GFADRO CN(C(=O)[C@H]1C[C@@]1(C)Br)C1CC[NH+](CCc2ccccn2)CC1 ZINC000528328432 564777468 /nfs/dbraw/zinc/77/74/68/564777468.db2.gz SFLHOKBHXIZVHB-SJLPKXTDSA-N 1 0 380.330 2.720 20 0 GFADRO CCOc1c(Cl)cc(CNS(=O)(=O)CC[NH+](CC)CC)cc1OC ZINC000554967396 564778953 /nfs/dbraw/zinc/77/89/53/564778953.db2.gz TZFVYZPFSWOYQY-UHFFFAOYSA-N 1 0 378.922 2.509 20 0 GFADRO CS[C@@H]1CN(C(=O)c2cc(Br)cc(N(C)C)c2)C[C@H]1[NH+](C)C ZINC000490861788 564783495 /nfs/dbraw/zinc/78/34/95/564783495.db2.gz XDGRLRLQGKDVQH-HUUCEWRRSA-N 1 0 386.359 2.633 20 0 GFADRO CCNC(=O)NC(=O)C[NH+]1CCC(COc2cc(Cl)cc(Cl)c2)CC1 ZINC000555151096 564784485 /nfs/dbraw/zinc/78/44/85/564784485.db2.gz MOQLIBGBCBBGIY-UHFFFAOYSA-N 1 0 388.295 2.930 20 0 GFADRO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N1CCC(n2cc(Br)cn2)CC1 ZINC000555168518 564785776 /nfs/dbraw/zinc/78/57/76/564785776.db2.gz RVMYLBVMHHKBQO-CYBMUJFWSA-N 1 0 386.338 2.721 20 0 GFADRO [NH3+][C@@H]1CCC[C@H]2CN(c3ncnc4cccc(I)c43)C[C@@H]21 ZINC000581063045 564785880 /nfs/dbraw/zinc/78/58/80/564785880.db2.gz VHYRLUODBPAWFP-GMXVVIOVSA-N 1 0 394.260 2.798 20 0 GFADRO CC[C@H]([NH3+])C(=O)Nc1ccc(-c2sc(CC(N)=O)cc2Br)cc1 ZINC000491081173 564786578 /nfs/dbraw/zinc/78/65/78/564786578.db2.gz USZHSDIMCOQPAZ-ZDUSSCGKSA-N 1 0 396.310 2.881 20 0 GFADRO C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)C(=O)NCc1cccs1 ZINC000581085982 564786755 /nfs/dbraw/zinc/78/67/55/564786755.db2.gz ZXORKENQLBUHQG-UHFFFAOYSA-N 1 0 379.913 2.608 20 0 GFADRO O=S(=O)(NC[C@H]1CC[N@@H+]1C1CCCCC1)c1ccc(Br)cn1 ZINC000528473776 564788046 /nfs/dbraw/zinc/78/80/46/564788046.db2.gz HXRHVIYAVZKBPZ-CQSZACIVSA-N 1 0 388.331 2.529 20 0 GFADRO CC(=O)Nc1ccc(S(=O)(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)cc1Cl ZINC000528547555 564793111 /nfs/dbraw/zinc/79/31/11/564793111.db2.gz HGFISYABLFZCJE-AWEZNQCLSA-N 1 0 385.917 2.594 20 0 GFADRO O=S(=O)(NC[C@@H]1CCC[N@@H+](CCCOc2cccc(Cl)c2)C1)C1CC1 ZINC000581215320 564793203 /nfs/dbraw/zinc/79/32/03/564793203.db2.gz OXCBOVKTFCEUHH-HNNXBMFYSA-N 1 0 386.945 2.903 20 0 GFADRO COc1ccc2c(c1F)CC[C@H]2[NH2+]CCNS(=O)(=O)c1ccc(C)s1 ZINC000581215609 564793228 /nfs/dbraw/zinc/79/32/28/564793228.db2.gz VGJSPILMDWZOGJ-CQSZACIVSA-N 1 0 384.498 2.760 20 0 GFADRO CC[C@@H]1C[N@H+](C)CCN1C(=O)[C@H]1CCN(c2cc(Cl)ccc2Cl)C1=O ZINC000581270922 564795100 /nfs/dbraw/zinc/79/51/00/564795100.db2.gz XCRDGMUVOMBLCB-ZIAGYGMSSA-N 1 0 384.307 2.899 20 0 GFADRO O=S(=O)(c1ccccc1OC(F)(F)F)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000491871708 564796634 /nfs/dbraw/zinc/79/66/34/564796634.db2.gz AZWRPFNUBOLNBW-ZDUSSCGKSA-N 1 0 378.416 2.834 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)c3cn(-c4ccc(Br)cc4)cn3)C[C@@H]21 ZINC000581305162 564796713 /nfs/dbraw/zinc/79/67/13/564796713.db2.gz RYWSSBGLXRMWNN-UHOFOFEASA-N 1 0 389.297 2.834 20 0 GFADRO OCc1cn([C@@H]2CCCN(Cc3nc4ccc(Br)cc4o3)C2)nn1 ZINC000555592377 564798902 /nfs/dbraw/zinc/79/89/02/564798902.db2.gz POMLECVQGSAQJE-CYBMUJFWSA-N 1 0 392.257 2.511 20 0 GFADRO COc1cc(C[NH2+]C[C@H](OC)C2CC2)cc(I)c1OC ZINC000555621526 564799403 /nfs/dbraw/zinc/79/94/03/564799403.db2.gz DWKBMXPEMFYLQS-AWEZNQCLSA-N 1 0 391.249 2.823 20 0 GFADRO CO[C@@H](c1ccccc1)[C@H](C)[NH2+]CCNS(=O)(=O)c1cccc(Cl)c1 ZINC000492151692 564799956 /nfs/dbraw/zinc/79/99/56/564799956.db2.gz NDPABOPGBNLPHD-KBXCAEBGSA-N 1 0 382.913 2.984 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)C(=O)N1CCC[C@H]1c1cccs1)c1cccs1 ZINC000555681110 564801215 /nfs/dbraw/zinc/80/12/15/564801215.db2.gz DYBVECIULRYUHJ-UONOGXRCSA-N 1 0 377.535 2.892 20 0 GFADRO CN(C)C(=O)CC[NH+]1CCC(Nc2ncc(Br)cc2Cl)CC1 ZINC000492335207 564801561 /nfs/dbraw/zinc/80/15/61/564801561.db2.gz RVFBHYQUVVXQNE-UHFFFAOYSA-N 1 0 389.725 2.852 20 0 GFADRO COc1ccc(Br)cc1CN(C)C(=O)c1conc1C(C)(C)[NH3+] ZINC000581438944 564802778 /nfs/dbraw/zinc/80/27/78/564802778.db2.gz FIKYUGANJCQLNQ-UHFFFAOYSA-N 1 0 382.258 2.912 20 0 GFADRO C[NH+](C)C1CCN(S(=O)(=O)c2cccc(Cl)c2Br)CC1 ZINC000493415956 564807462 /nfs/dbraw/zinc/80/74/62/564807462.db2.gz RTOJBHGDFXTTHS-UHFFFAOYSA-N 1 0 381.723 2.817 20 0 GFADRO CCN(C(=O)C1CC[NH+]([C@H]2CCSC2)CC1)c1ncc(C(=O)OC)s1 ZINC000581557759 564807884 /nfs/dbraw/zinc/80/78/84/564807884.db2.gz UCSPKZPLAHFLNE-ZDUSSCGKSA-N 1 0 383.539 2.500 20 0 GFADRO C[NH+](C)CC[C@@H](NC(=O)C(=O)NCc1ccc(Br)cc1)C(C)(C)C ZINC000555912681 564807952 /nfs/dbraw/zinc/80/79/52/564807952.db2.gz MBQRPUVOORAJIK-OAHLLOKOSA-N 1 0 398.345 2.548 20 0 GFADRO COCC[N@@H+]1CC[C@@H](NC(=O)Nc2cc3c(cc2Br)CCC3)C1 ZINC000556031267 564810500 /nfs/dbraw/zinc/81/05/00/564810500.db2.gz AKGOFHTVSLKRKH-CQSZACIVSA-N 1 0 382.302 2.780 20 0 GFADRO COc1cc(CNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)cc(Br)c1OC ZINC000461993640 564811167 /nfs/dbraw/zinc/81/11/67/564811167.db2.gz WVNRCASYVJQZIH-VXGBXAGGSA-N 1 0 385.302 2.955 20 0 GFADRO C[C@H](NC(=O)NCc1nc2c(cccc2Br)[nH]1)C1=CC[N@H+](C)CC1 ZINC000581652214 564811802 /nfs/dbraw/zinc/81/18/02/564811802.db2.gz VJGGAXYTFGQHQG-NSHDSACASA-N 1 0 392.301 2.775 20 0 GFADRO C[NH+](C)CC1CCN(S(=O)(=O)CCc2ccccc2Br)CC1 ZINC000462066480 564814999 /nfs/dbraw/zinc/81/49/99/564814999.db2.gz IDPYTRXKBZWIFJ-UHFFFAOYSA-N 1 0 389.359 2.595 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]1C1CCN(C(=O)C2(c3cccc(Br)c3)CC2)CC1 ZINC000581725759 564816157 /nfs/dbraw/zinc/81/61/57/564816157.db2.gz DZQFDZRIXYYLCP-SJORKVTESA-N 1 0 393.325 2.836 20 0 GFADRO C[C@H]1CCCC[N@@H+]1CCNS(=O)(=O)CCc1ccccc1Br ZINC000462085985 564817981 /nfs/dbraw/zinc/81/79/81/564817981.db2.gz VAGKZXBOHSPEPT-AWEZNQCLSA-N 1 0 389.359 2.785 20 0 GFADRO CNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(COc2cc(Cl)cc(Cl)c2)CC1 ZINC000581857524 564820724 /nfs/dbraw/zinc/82/07/24/564820724.db2.gz XCZPPFHBDBNYRQ-LLVKDONJSA-N 1 0 388.295 2.928 20 0 GFADRO C[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2cccc(Br)c2Cl)C1 ZINC000556367001 564821567 /nfs/dbraw/zinc/82/15/67/564821567.db2.gz YTUVVOGNNUJIJM-JTQLQIEISA-N 1 0 381.723 2.723 20 0 GFADRO O=C(NC[C@H]1CCC[NH2+]C1)[C@@H](c1ccc(Br)cc1)N1CCCC1 ZINC000581883178 564822003 /nfs/dbraw/zinc/82/20/03/564822003.db2.gz OUWKFHKEMOYHME-WMLDXEAASA-N 1 0 380.330 2.702 20 0 GFADRO CC[C@H]1CCC[N@@H+](C(C)(C)CNS(=O)(=O)c2csc(C(=O)OC)c2)C1 ZINC000462140535 564822858 /nfs/dbraw/zinc/82/28/58/564822858.db2.gz POSCBAPZIPVITP-ZDUSSCGKSA-N 1 0 388.555 2.714 20 0 GFADRO CC(C)OCC[NH+]1CCC(NS(=O)(=O)c2cc(Cl)ccc2F)CC1 ZINC000556376258 564822902 /nfs/dbraw/zinc/82/29/02/564822902.db2.gz XOKIMHTYHYGPEH-UHFFFAOYSA-N 1 0 378.897 2.647 20 0 GFADRO C[C@H](CNS(=O)(=O)c1ccc(Br)cn1)[N@H+](C)Cc1ccccc1 ZINC000462133730 564822870 /nfs/dbraw/zinc/82/28/70/564822870.db2.gz ACQLLUFTTQMTKG-CYBMUJFWSA-N 1 0 398.326 2.643 20 0 GFADRO CC[NH+](CC)CCS(=O)(=O)N[C@H]1C[C@H](c2ccc(Br)cc2)C1 ZINC000462141250 564822999 /nfs/dbraw/zinc/82/29/99/564822999.db2.gz KVUVEKQCSFGSOH-KOMQPUFPSA-N 1 0 389.359 2.956 20 0 GFADRO C[C@H](NC(=O)NCCNc1cc[nH+]cc1)c1ccc(Br)cc1F ZINC000462167186 564825778 /nfs/dbraw/zinc/82/57/78/564825778.db2.gz VROXWZWSVOSAKQ-NSHDSACASA-N 1 0 381.249 2.877 20 0 GFADRO COCCN(CC[NH+](C)C)C(=O)N[C@@H](C)c1ccc(Br)cc1F ZINC000462165364 564825826 /nfs/dbraw/zinc/82/58/26/564825826.db2.gz PSKJLSAKCCDAHE-LBPRGKRZSA-N 1 0 390.297 2.869 20 0 GFADRO CS[C@@H]1CN(S(=O)(=O)c2ccc(C)c(C(F)(F)F)c2)C[C@H]1[NH+](C)C ZINC000556479519 564828216 /nfs/dbraw/zinc/82/82/16/564828216.db2.gz CIRIYVCVHGYXLZ-ZIAGYGMSSA-N 1 0 382.473 2.680 20 0 GFADRO O=C(NCc1ccccc1Br)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000529302731 564828246 /nfs/dbraw/zinc/82/82/46/564828246.db2.gz ZKKTWWCYJYUNKY-MRXNPFEDSA-N 1 0 396.329 2.749 20 0 GFADRO O=C(N[C@@H]1CCN(c2ccccc2Br)C1)N[C@H]1CC[NH2+]C12CCC2 ZINC000529303402 564828426 /nfs/dbraw/zinc/82/84/26/564828426.db2.gz FPWJNQLESFNGGL-CJNGLKHVSA-N 1 0 393.329 2.612 20 0 GFADRO O=C(Cc1ccc(I)cc1)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000582061323 564829536 /nfs/dbraw/zinc/82/95/36/564829536.db2.gz LDXYYJNFTMOHGG-GJZGRUSLSA-N 1 0 398.288 2.682 20 0 GFADRO Cc1cscc1C[NH2+][C@H](C)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000494452574 564830740 /nfs/dbraw/zinc/83/07/40/564830740.db2.gz OJTOMIGCZGYFHH-OAHLLOKOSA-N 1 0 380.535 2.928 20 0 GFADRO COC(=O)c1cn(CC[NH2+][C@H](c2ccc(Br)cc2)C2CC2)nn1 ZINC000556605903 564831830 /nfs/dbraw/zinc/83/18/30/564831830.db2.gz MMDLRNNONAJNRW-HNNXBMFYSA-N 1 0 379.258 2.568 20 0 GFADRO C[NH2+]C[C@@H]1CCCN(C(=O)NCc2ccc(Br)c(F)c2F)C1 ZINC000529371092 564831991 /nfs/dbraw/zinc/83/19/91/564831991.db2.gz VCTMNIOCMFEMNR-JTQLQIEISA-N 1 0 376.245 2.868 20 0 GFADRO C[C@@H](C(=O)Nc1ccc(F)cc1F)N(C)CCn1cc(Br)cn1 ZINC000582145847 564832593 /nfs/dbraw/zinc/83/25/93/564832593.db2.gz XFPBYVALDZMLMW-JTQLQIEISA-N 1 0 387.228 2.883 20 0 GFADRO COC(=O)c1cc(Br)cc(C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)c1 ZINC000462310180 564832710 /nfs/dbraw/zinc/83/27/10/564832710.db2.gz GLZYVFXZEUTDDE-INIZCTEOSA-N 1 0 395.297 2.982 20 0 GFADRO O=C(c1sc2ncccc2c1Cl)N1CCC[C@@H](C[N@H+]2CC[C@@H](O)C2)C1 ZINC000529398226 564833892 /nfs/dbraw/zinc/83/38/92/564833892.db2.gz JDWITITZAYGWFT-QWHCGFSZSA-N 1 0 379.913 2.869 20 0 GFADRO Cc1cc(Br)cc2c1[C@@H]([NH2+]C[C@H]1CCCN1S(C)(=O)=O)CC2 ZINC000494603994 564835458 /nfs/dbraw/zinc/83/54/58/564835458.db2.gz QIBJBHHADIBADH-CABCVRRESA-N 1 0 387.343 2.758 20 0 GFADRO Cc1ccsc1[C@H](CO)[NH2+]C[C@H](O)COc1ccc(Br)cc1 ZINC000494651184 564835786 /nfs/dbraw/zinc/83/57/86/564835786.db2.gz AQQHUYSLVLNMGD-ZFWWWQNUSA-N 1 0 386.311 2.882 20 0 GFADRO C[NH+](C)CC1CN(C(=O)c2scc(Br)c2Br)C1 ZINC000529440630 564835820 /nfs/dbraw/zinc/83/58/20/564835820.db2.gz WQSNCACMHPBDSB-UHFFFAOYSA-N 1 0 382.121 2.907 20 0 GFADRO Cc1cc(Br)cc2c1[C@@H]([NH2+][C@@H]1CCN(c3cnn(C)c3)C1=O)CC2 ZINC000494641134 564836389 /nfs/dbraw/zinc/83/63/89/564836389.db2.gz DNUBRPRXAPTBPA-JKSUJKDBSA-N 1 0 389.297 2.873 20 0 GFADRO O=C(CCNC(=O)N[C@H]1CC[N@@H+](C2CC2)C1)Nc1cc(Cl)cc(Cl)c1 ZINC000556744102 564838267 /nfs/dbraw/zinc/83/82/67/564838267.db2.gz MKOCVALCMFUQBV-ZDUSSCGKSA-N 1 0 385.295 2.858 20 0 GFADRO O=S(=O)(c1cccs1)N1CC[C@@H](C[NH2+]C2CCC3(CCCO3)CC2)C1 ZINC000582316862 564840419 /nfs/dbraw/zinc/84/04/19/564840419.db2.gz IEZWLBUUKCCTBK-HJOIGYKYSA-N 1 0 384.567 2.840 20 0 GFADRO COCC[N@H+](C)CCNC(=O)N(C)Cc1cc(Br)ccc1Cl ZINC000494836563 564842111 /nfs/dbraw/zinc/84/21/11/564842111.db2.gz MEQKJWHKTMSKBF-UHFFFAOYSA-N 1 0 392.725 2.822 20 0 GFADRO CCC[C@@]1(CO)CC[N@H+](C[C@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000582352545 564842612 /nfs/dbraw/zinc/84/26/12/564842612.db2.gz LQORGTJIUSSXDH-DOTOQJQBSA-N 1 0 390.293 2.812 20 0 GFADRO Cc1cc(NC(=O)N2CCC[N@@H+]([C@H](C)CO)CC2)cc(C)c1Br ZINC000494877820 564842640 /nfs/dbraw/zinc/84/26/40/564842640.db2.gz LJDZGKLLCMRAQO-CQSZACIVSA-N 1 0 384.318 2.986 20 0 GFADRO COc1ccc(Br)cc1C(=O)CCC(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000494887358 564843087 /nfs/dbraw/zinc/84/30/87/564843087.db2.gz CTEQOSUNZONQIQ-IUODEOHRSA-N 1 0 395.297 2.631 20 0 GFADRO C[C@H](NC(=O)N1CCC[C@H](C[NH3+])C1)c1cc2c(cc1Br)OCCO2 ZINC000582409491 564845273 /nfs/dbraw/zinc/84/52/73/564845273.db2.gz LKYZIEACVZOKIA-NWDGAFQWSA-N 1 0 398.301 2.662 20 0 GFADRO CS(=O)(=O)[C@@H]1CCC[C@@H]([NH2+][C@H]2CCN(c3ccc(Cl)cc3F)C2=O)C1 ZINC000529666206 564845486 /nfs/dbraw/zinc/84/54/86/564845486.db2.gz RSGQPTHYQMSCKB-NFAWXSAZSA-N 1 0 388.892 2.530 20 0 GFADRO C[C@H]([NH2+][C@H]1CCC(=O)NC1(C)C)c1ccc(Br)cc1OCCCO ZINC000494993477 564845984 /nfs/dbraw/zinc/84/59/84/564845984.db2.gz CFEDKAPYKWPLTK-LRDDRELGSA-N 1 0 399.329 2.918 20 0 GFADRO O=S(=O)(NCCC[NH2+][C@H]1CCC[C@H]2C[C@H]21)c1ccccc1Br ZINC000556910565 564846069 /nfs/dbraw/zinc/84/60/69/564846069.db2.gz BOVDKEQOYAZDCH-GUTXKFCHSA-N 1 0 387.343 2.896 20 0 GFADRO C[C@H]([NH2+]C[C@H]1CCCCN1S(C)(=O)=O)c1nc2ccc(Cl)cc2n1C ZINC000556922459 564846699 /nfs/dbraw/zinc/84/66/99/564846699.db2.gz BWSIRLFFJRTLCV-GXTWGEPZSA-N 1 0 384.933 2.691 20 0 GFADRO C[C@@H]([NH2+]C[C@H](N1CCOCC1)C(F)(F)F)c1ccc(Br)cn1 ZINC000556924748 564846829 /nfs/dbraw/zinc/84/68/29/564846829.db2.gz VTUBUGMJJLYNHE-MFKMUULPSA-N 1 0 382.224 2.758 20 0 GFADRO COC(=O)COc1ccccc1[C@H](C)[NH2+]CCn1cc(Br)cn1 ZINC000556920846 564847106 /nfs/dbraw/zinc/84/71/06/564847106.db2.gz PCEWHIWTXIYZIW-LBPRGKRZSA-N 1 0 382.258 2.548 20 0 GFADRO C[C@@H]1CCC[N@@H+](C(C)(C)CNS(=O)(=O)c2ccc(Br)cn2)C1 ZINC000462550468 564847168 /nfs/dbraw/zinc/84/71/68/564847168.db2.gz LCHZAFAFJABSQI-GFCCVEGCSA-N 1 0 390.347 2.633 20 0 GFADRO O=S1(=O)CCCN1c1cccc(CNCc2ccc(Br)cn2)c1 ZINC000462549849 564847247 /nfs/dbraw/zinc/84/72/47/564847247.db2.gz LAFWRMGDCFMMJZ-UHFFFAOYSA-N 1 0 396.310 2.674 20 0 GFADRO CC1(CNC(=O)Nc2nnc(SCc3ccccc3)s2)CC[NH2+]CC1 ZINC000556948525 564848227 /nfs/dbraw/zinc/84/82/27/564848227.db2.gz SBDOEUDKEIWWAY-UHFFFAOYSA-N 1 0 377.539 3.342 20 0 GFADRO O=C(Nc1nnc(-c2c(F)cccc2Cl)s1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000556989358 564850042 /nfs/dbraw/zinc/85/00/42/564850042.db2.gz ARLDCDBPSDJWCT-AOOOYVTPSA-N 1 0 381.864 3.356 20 0 GFADRO C[C@H](NC(=O)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)c1ccc(Br)cc1 ZINC000557014724 564850702 /nfs/dbraw/zinc/85/07/02/564850702.db2.gz OUMWBNYOPRVOKZ-STQMWFEESA-N 1 0 398.345 2.719 20 0 GFADRO C[C@@H](NC(=O)C(=O)N[C@@H](C)c1ccc(Br)cc1)C(C)(C)C[NH+](C)C ZINC000557014723 564850736 /nfs/dbraw/zinc/85/07/36/564850736.db2.gz OUMWBNYOPRVOKZ-QWHCGFSZSA-N 1 0 398.345 2.719 20 0 GFADRO O=C(N[C@H]1CCN(c2cccc(Br)c2)C1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000495196072 564850762 /nfs/dbraw/zinc/85/07/62/564850762.db2.gz XBFIRDCYRKYXPQ-GJZGRUSLSA-N 1 0 393.329 2.564 20 0 GFADRO O=C(NCC1CC[NH2+]CC1)Nc1nnc(-c2cccc(Br)c2)s1 ZINC000582534162 564851303 /nfs/dbraw/zinc/85/13/03/564851303.db2.gz HCXOPNJKDXYNMN-UHFFFAOYSA-N 1 0 396.314 3.089 20 0 GFADRO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)NCCCn1cc(Br)cn1 ZINC000495440961 564854455 /nfs/dbraw/zinc/85/44/55/564854455.db2.gz ZBNILLDUNYKKGN-KBPBESRZSA-N 1 0 386.338 2.598 20 0 GFADRO CS[C@H]1CN(C(=O)CSc2ncnc3sc(C)c(C)c32)C[C@H]1[NH+](C)C ZINC000495606739 564855515 /nfs/dbraw/zinc/85/55/15/564855515.db2.gz KABAXROBMPBCNX-OLZOCXBDSA-N 1 0 396.607 2.904 20 0 GFADRO CS[C@@H]1CN(C(=O)c2cccc(OCc3cscn3)c2)C[C@@H]1[NH+](C)C ZINC000495621743 564855664 /nfs/dbraw/zinc/85/56/64/564855664.db2.gz WEMZEHJIDFBBMM-DLBZAZTESA-N 1 0 377.535 2.840 20 0 GFADRO CS[C@H]1CN(C(=O)CSc2ncnc3sc(C)c(C)c32)C[C@@H]1[NH+](C)C ZINC000495606741 564855819 /nfs/dbraw/zinc/85/58/19/564855819.db2.gz KABAXROBMPBCNX-STQMWFEESA-N 1 0 396.607 2.904 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)NCc3cc(Br)cc4c3OCC4)C[C@H]21 ZINC000557181521 564857572 /nfs/dbraw/zinc/85/75/72/564857572.db2.gz VUKGCMQRAWMYQJ-DAXOMENPSA-N 1 0 394.313 2.653 20 0 GFADRO O=C(N[C@@H]1C[C@H]1C1CC[NH2+]CC1)c1ccc(I)c(F)c1 ZINC000462891761 564862342 /nfs/dbraw/zinc/86/23/42/564862342.db2.gz SWWPFUVWAAFXKE-SMDDNHRTSA-N 1 0 388.224 2.548 20 0 GFADRO CS(=O)(=O)N1CC[C@H]([NH2+][C@@H]2CC[C@H](c3ccc(C(F)(F)F)cc3)C2)C1 ZINC000582849034 564864394 /nfs/dbraw/zinc/86/43/94/564864394.db2.gz INBLPNQFYFUPOT-IMJJTQAJSA-N 1 0 376.444 2.965 20 0 GFADRO COC(=O)[C@](C)(O)C[NH+]1CCC(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000582928300 564867850 /nfs/dbraw/zinc/86/78/50/564867850.db2.gz IFNGPNCGUWANNZ-QGZVFWFLSA-N 1 0 389.279 2.568 20 0 GFADRO O=S(=O)(c1ccc(Br)c(Cl)c1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000497617458 564871825 /nfs/dbraw/zinc/87/18/25/564871825.db2.gz QRLPIBZPBIJDQO-JTQLQIEISA-N 1 0 379.707 2.618 20 0 GFADRO CC(C)[C@H]1C[NH2+]CCN1CC(=O)Nc1c(F)cc(F)cc1Br ZINC000530229043 564872825 /nfs/dbraw/zinc/87/28/25/564872825.db2.gz ALNIZMXYCAXUAR-CYBMUJFWSA-N 1 0 376.245 2.596 20 0 GFADRO CN1C(=O)c2ccccc2[C@@H]1C[NH2+]C[C@H](O)c1ccc(Br)cc1 ZINC000530242536 564872941 /nfs/dbraw/zinc/87/29/41/564872941.db2.gz GJYPBNRXCWGJAO-IRXDYDNUSA-N 1 0 375.266 2.899 20 0 GFADRO COc1ccc(NC(=O)N2C[C@@H](SC)[C@H]([NH+](C)C)C2)c(Br)c1 ZINC000497657006 564873159 /nfs/dbraw/zinc/87/31/59/564873159.db2.gz KOUYKVDXKYRLOF-ZIAGYGMSSA-N 1 0 388.331 2.967 20 0 GFADRO CSC1(CNC(=O)c2[nH]nc(C3CC3)c2Br)CC[NH+](C)CC1 ZINC000583057961 564873715 /nfs/dbraw/zinc/87/37/15/564873715.db2.gz UCFMKJLWMNJSKD-UHFFFAOYSA-N 1 0 387.347 2.607 20 0 GFADRO C[C@H](CCc1ccc(Br)cc1)[NH2+]C1CCC2(CC1)NC(=O)NC2=O ZINC000557734176 564874161 /nfs/dbraw/zinc/87/41/61/564874161.db2.gz SEVQJSAPKRHHFS-QCGKTTIDSA-N 1 0 394.313 2.881 20 0 GFADRO COC(=O)c1cc(C[NH2+]C[C@H](CO)Cc2cccc(Br)c2)cn1C ZINC000583076599 564874349 /nfs/dbraw/zinc/87/43/49/564874349.db2.gz JGGNSKGVDBRECB-OAHLLOKOSA-N 1 0 395.297 2.515 20 0 GFADRO O=C(NCc1cc(Br)cc2c1OCC2)N1CC[NH+](C2CCC2)CC1 ZINC000463263888 564874964 /nfs/dbraw/zinc/87/49/64/564874964.db2.gz WXELLHOBBALXBX-UHFFFAOYSA-N 1 0 394.313 2.764 20 0 GFADRO CS[C@H]1CN(C(=O)CCOc2cccc(Br)c2)C[C@@H]1[NH+](C)C ZINC000497801711 564877441 /nfs/dbraw/zinc/87/74/41/564877441.db2.gz AEWARIJOCBPHCK-GJZGRUSLSA-N 1 0 387.343 2.722 20 0 GFADRO CC(C)[N@H+](C)CC1CCN(S(=O)(=O)c2cccnc2C(F)(F)F)CC1 ZINC000557811753 564877506 /nfs/dbraw/zinc/87/75/06/564877506.db2.gz HQNQBFOQIVTBHU-UHFFFAOYSA-N 1 0 379.448 2.841 20 0 GFADRO CC(C)CN(CC[NH+](C)C)C(=O)C(=O)NCCSc1ccc(Cl)cc1 ZINC000583156658 564878226 /nfs/dbraw/zinc/87/82/26/564878226.db2.gz DOZNFNLUUZFGGE-UHFFFAOYSA-N 1 0 385.961 2.595 20 0 GFADRO C[N@@H+]1CCCC(C)(C)[C@H]1CNS(=O)(=O)Cc1cccc(Br)c1 ZINC000557846723 564881998 /nfs/dbraw/zinc/88/19/98/564881998.db2.gz NNZWQGAXWWJVFH-OAHLLOKOSA-N 1 0 389.359 2.989 20 0 GFADRO Cc1cc(N2CCC[C@H]([N@@H+]3CCC[C@H](CO)C3)C2=O)ccc1Br ZINC000463477711 564882255 /nfs/dbraw/zinc/88/22/55/564882255.db2.gz JMSDHCPRUPGKRY-YOEHRIQHSA-N 1 0 381.314 2.957 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)c1c(Cl)cccc1I ZINC000463525796 564883689 /nfs/dbraw/zinc/88/36/89/564883689.db2.gz KBPAUXAAAOKOOB-SECBINFHSA-N 1 0 390.652 2.911 20 0 GFADRO Brc1ccc(C[NH2+]CCOC[C@H]2CCCO2)c(N2CCOCC2)c1 ZINC000530547289 564887566 /nfs/dbraw/zinc/88/75/66/564887566.db2.gz GDPVHJPXCHWONT-QGZVFWFLSA-N 1 0 399.329 2.571 20 0 GFADRO Cc1ccc(C[N@H+]2CC[C@H](CN(C)C(=O)[C@H](C)N3CCSCC3)C2)s1 ZINC000558038047 564889903 /nfs/dbraw/zinc/88/99/03/564889903.db2.gz QINAIEQUWWMSTC-DLBZAZTESA-N 1 0 381.611 2.774 20 0 GFADRO CC(C)CC[NH+]1CCC(CNC(=O)NCc2n[nH]cc2Br)CC1 ZINC000530713438 564892363 /nfs/dbraw/zinc/89/23/63/564892363.db2.gz HFIAQJZPXABAPT-UHFFFAOYSA-N 1 0 386.338 2.730 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)C2=Cc3cc(Br)ccc3OC2)C[N@@H+]1C1CC1 ZINC000530767243 564893954 /nfs/dbraw/zinc/89/39/54/564893954.db2.gz GXPMHUOJLPIGNV-IAQYHMDHSA-N 1 0 377.282 2.966 20 0 GFADRO O=C(c1cn([C@H]2CCC[NH2+]C2)nn1)N1CCc2c(ccc(Cl)c2Cl)C1 ZINC000583494171 564893966 /nfs/dbraw/zinc/89/39/66/564893966.db2.gz UFUZCWWZJMFYLN-LBPRGKRZSA-N 1 0 380.279 2.708 20 0 GFADRO CCOc1cc(C[NH2+][C@H]2CCC[C@H]2C(=O)NC)cc(Br)c1OC ZINC000498364762 564897170 /nfs/dbraw/zinc/89/71/70/564897170.db2.gz QTNQSBPAORUWRE-OCCSQVGLSA-N 1 0 385.302 2.861 20 0 GFADRO Cc1ccc(OCCC(=O)NCCCC[NH+]2CCOCC2)c(Br)c1 ZINC000498430170 564898446 /nfs/dbraw/zinc/89/84/46/564898446.db2.gz MERYZYBYNBSRDP-UHFFFAOYSA-N 1 0 399.329 2.755 20 0 GFADRO CC[NH+](CC)CCO[C@H]1CCN(S(=O)(=O)c2c(F)cccc2Cl)C1 ZINC000464209545 564899320 /nfs/dbraw/zinc/89/93/20/564899320.db2.gz GCZHHAITSOJXRF-ZDUSSCGKSA-N 1 0 378.897 2.601 20 0 GFADRO O=S(=O)(c1ccc(OC(F)F)c(Cl)c1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000583693200 564903335 /nfs/dbraw/zinc/90/33/35/564903335.db2.gz FAUNOWUTRXASBB-HNNXBMFYSA-N 1 0 380.844 2.706 20 0 GFADRO CN1CCC[C@@H]1CNC(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1 ZINC000498635743 564904417 /nfs/dbraw/zinc/90/44/17/564904417.db2.gz RCJGQWLOLYCKRG-OAHLLOKOSA-N 1 0 384.929 2.637 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)c2cc(=O)c3cc(Br)ccc3[nH]2)C[N@@H+]1C1CC1 ZINC000531244278 564904582 /nfs/dbraw/zinc/90/45/82/564904582.db2.gz IXQTYBIAXSKVKB-ZYHUDNBSSA-N 1 0 390.281 2.646 20 0 GFADRO CC(C)[C@@H](NC(=O)c1ccccc1Br)C(=O)N[C@H](C)CC[NH+](C)C ZINC000498651514 564905317 /nfs/dbraw/zinc/90/53/17/564905317.db2.gz JODWONCKJIDFFG-CZUORRHYSA-N 1 0 398.345 2.660 20 0 GFADRO C[C@@H]1CC[N@H+](C)CCN1C(=O)[C@@]12CCC(=O)N1c1cc(Cl)ccc1S2 ZINC000498716666 564906224 /nfs/dbraw/zinc/90/62/24/564906224.db2.gz LBWNZTYMYNEMCN-XIKOKIGWSA-N 1 0 379.913 2.821 20 0 GFADRO COCC1(CNC(=O)CSc2cccc(Br)c2)CC[NH2+]CC1 ZINC000583866518 564910968 /nfs/dbraw/zinc/91/09/68/564910968.db2.gz PZNYQHBMFOVYIW-UHFFFAOYSA-N 1 0 387.343 2.674 20 0 GFADRO C[C@H](C1CC[NH+](C)CC1)N(C)S(=O)(=O)c1cccc(OC(F)(F)F)c1 ZINC000498885008 564911214 /nfs/dbraw/zinc/91/12/14/564911214.db2.gz VZACNAKAMOXZIW-GFCCVEGCSA-N 1 0 380.432 2.936 20 0 GFADRO CC[N@@H+]1C[C@@H](C)N(CC(=O)N(C)Cc2ccccc2Br)C[C@@H]1C ZINC000498929609 564913007 /nfs/dbraw/zinc/91/30/07/564913007.db2.gz PLOZGLXOHIWMLZ-LSDHHAIUSA-N 1 0 382.346 2.822 20 0 GFADRO CCC[N@H+](Cc1cc(Br)cc2cccnc21)[C@H]1CC(=O)N(C)C1=O ZINC000558727933 564913801 /nfs/dbraw/zinc/91/38/01/564913801.db2.gz BGVZRXXDTBCNAZ-HNNXBMFYSA-N 1 0 390.281 2.967 20 0 GFADRO C[C@@H](NC(=O)[C@H]1CC[N@H+](C)C1)c1nc(-c2ccc(Br)cc2)no1 ZINC000531613505 564914824 /nfs/dbraw/zinc/91/48/24/564914824.db2.gz NDUBNFJPCBQNFZ-PWSUYJOCSA-N 1 0 379.258 2.628 20 0 GFADRO C[C@H](NC(=O)[C@@H]1CC[N@H+](C)C1)c1nc(-c2ccc(Br)cc2)no1 ZINC000531613503 564915337 /nfs/dbraw/zinc/91/53/37/564915337.db2.gz NDUBNFJPCBQNFZ-CMPLNLGQSA-N 1 0 379.258 2.628 20 0 GFADRO C[C@H]1C[C@H](NC(=O)C(=O)Nc2cc(Cl)ccc2C(F)(F)F)CC[N@@H+]1C ZINC000499034759 564915990 /nfs/dbraw/zinc/91/59/90/564915990.db2.gz AABVYPBNYKWIQW-GXSJLCMTSA-N 1 0 377.794 2.896 20 0 GFADRO CC[C@@H](CO)[NH+]1CCN([C@@H](C(=O)OC)c2ccc(Cl)cc2Cl)CC1 ZINC000464765977 564917814 /nfs/dbraw/zinc/91/78/14/564917814.db2.gz BCMCJZPAMUQYEQ-XJKSGUPXSA-N 1 0 375.296 2.596 20 0 GFADRO C[NH+](C)C[C@@H]1CCCN1C(=O)c1nn(-c2ccc(F)cc2)cc1Br ZINC000464930379 564920603 /nfs/dbraw/zinc/92/06/03/564920603.db2.gz CLCWIFCXAISMBA-AWEZNQCLSA-N 1 0 395.276 2.940 20 0 GFADRO CC(C)[N@H+]1C[C@H](NC(=O)N2CCN(Cc3ccc(Cl)s3)CC2)[C@@H](C)C1 ZINC000465008088 564922541 /nfs/dbraw/zinc/92/25/41/564922541.db2.gz KBTPHTJIUZPJIR-HOCLYGCPSA-N 1 0 384.977 2.957 20 0 GFADRO C[N@@H+]1CCC[C@]2(CCN(S(=O)(=O)Cc3cccc(Br)c3)C2)C1 ZINC000559132083 564923331 /nfs/dbraw/zinc/92/33/31/564923331.db2.gz NKPKPBAQASEFGU-INIZCTEOSA-N 1 0 387.343 2.697 20 0 GFADRO C[N@@H+]1CCC[C@@]2(CCN(S(=O)(=O)Cc3ccccc3C(F)(F)F)C2)C1 ZINC000559133271 564923839 /nfs/dbraw/zinc/92/38/39/564923839.db2.gz SMCRZCCGYUAKBG-MRXNPFEDSA-N 1 0 376.444 2.953 20 0 GFADRO O=C(NCC[NH2+][C@H]1CCSc2ccc(Br)cc21)c1cnccn1 ZINC000531961305 564924683 /nfs/dbraw/zinc/92/46/83/564924683.db2.gz QICLKKANRGHDQT-ZDUSSCGKSA-N 1 0 393.310 2.796 20 0 GFADRO CCN(CC)C(=O)C[C@H](C)[NH2+]CCCNC(=O)c1cccc(Br)c1 ZINC000531961811 564925258 /nfs/dbraw/zinc/92/52/58/564925258.db2.gz OFTDGSGQXABGPZ-AWEZNQCLSA-N 1 0 398.345 2.806 20 0 GFADRO CCN(CC)C(=O)C[C@@H](C)[NH2+]C[C@H](O)COc1cccc(Cl)c1Cl ZINC000531951017 564925267 /nfs/dbraw/zinc/92/52/67/564925267.db2.gz ZFJYWBSZGIOGOC-OLZOCXBDSA-N 1 0 377.312 2.970 20 0 GFADRO C[C@H]([NH2+]C1CC1)C(=O)NCC1(c2ccc(Br)cc2)CCOCC1 ZINC000584229198 564925890 /nfs/dbraw/zinc/92/58/90/564925890.db2.gz KUWRBNBYWLZOQF-ZDUSSCGKSA-N 1 0 381.314 2.754 20 0 GFADRO C[C@@H]([NH2+]Cc1cnn(CC(F)(F)F)c1)c1cccc(NS(C)(=O)=O)c1 ZINC000531988918 564926057 /nfs/dbraw/zinc/92/60/57/564926057.db2.gz VTKALTWKMBQMEB-LLVKDONJSA-N 1 0 376.404 2.668 20 0 GFADRO CS[C@@H]1CN(C(=O)Cc2ccc(Br)cc2O)C[C@H]1[NH+]1CCCC1 ZINC000499399215 564926509 /nfs/dbraw/zinc/92/65/09/564926509.db2.gz CZNDESDIJDEZMO-GDBMZVCRSA-N 1 0 399.354 2.735 20 0 GFADRO O=C(CC[NH2+]C1CC1)NCc1cc(Br)ccc1Br ZINC000584241828 564927152 /nfs/dbraw/zinc/92/71/52/564927152.db2.gz WZGRGEFEGPAEOY-UHFFFAOYSA-N 1 0 376.092 2.970 20 0 GFADRO CCC[C@@H]1CN(C(=O)Cc2ccccc2Br)CC[N@@H+]1CCOC ZINC000499440435 564927403 /nfs/dbraw/zinc/92/74/03/564927403.db2.gz ZBKXVHBBOLXBEA-MRXNPFEDSA-N 1 0 383.330 2.951 20 0 GFADRO COCC[NH2+]C1CCN(C(=O)CCOc2ccc(Cl)c(Cl)c2)CC1 ZINC000584298814 564929390 /nfs/dbraw/zinc/92/93/90/564929390.db2.gz MYFDVBUUWFEAKG-UHFFFAOYSA-N 1 0 375.296 2.989 20 0 GFADRO C[C@@H](NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ncc(Br)cn1 ZINC000559377217 564931842 /nfs/dbraw/zinc/93/18/42/564931842.db2.gz OOSJMSNJAXDOPO-NDNKKMJESA-N 1 0 382.306 2.615 20 0 GFADRO Cc1nc(CC[NH2+]C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cs1 ZINC000532197765 564932213 /nfs/dbraw/zinc/93/22/13/564932213.db2.gz LTGWTUQTPASMPJ-UHFFFAOYSA-N 1 0 379.551 2.745 20 0 GFADRO CCS(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2ccc(S(C)(=O)=O)cc2)cc1 ZINC000559420378 564932725 /nfs/dbraw/zinc/93/27/25/564932725.db2.gz PWDZDVPRRRZSMT-CQSZACIVSA-N 1 0 381.519 2.735 20 0 GFADRO C[C@H]1C[C@H](NCc2cn(-c3ccccc3Br)nn2)C[N@@H+]1C1CC1 ZINC000499688137 564933714 /nfs/dbraw/zinc/93/37/14/564933714.db2.gz UFSYIQBPWUYWQF-STQMWFEESA-N 1 0 376.302 2.745 20 0 GFADRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NCCc1cc(Br)ccc1F ZINC000466266548 564936928 /nfs/dbraw/zinc/93/69/28/564936928.db2.gz SSBCJFHMYXHSFJ-BZNIZROVSA-N 1 0 384.293 2.913 20 0 GFADRO Cc1ccc(Br)c(C)c1C(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000559795988 564940597 /nfs/dbraw/zinc/94/05/97/564940597.db2.gz MFSUADGQOGBGDV-CYBMUJFWSA-N 1 0 382.346 2.679 20 0 GFADRO O=S(=O)(NC1CC[NH+](CCc2ccccc2)CC1)c1cncc(Cl)c1 ZINC000532855229 564947337 /nfs/dbraw/zinc/94/73/37/564947337.db2.gz OEHFUMKGLFDNKI-UHFFFAOYSA-N 1 0 379.913 2.720 20 0 GFADRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N(C)CCOc1ccc(Br)cc1 ZINC000466796203 564947677 /nfs/dbraw/zinc/94/76/77/564947677.db2.gz RLXHJVRUVNCWIY-DYVFJYSZSA-N 1 0 396.329 2.952 20 0 GFADRO CC(C)c1ccc(Cl)c(S(=O)(=O)NCC2(O)CC[NH+](C(C)C)CC2)c1 ZINC000560064476 564947963 /nfs/dbraw/zinc/94/79/63/564947963.db2.gz PLDSXIQGIJBKID-UHFFFAOYSA-N 1 0 388.961 2.977 20 0 GFADRO CC[NH+](CC)C[C@H]1CCN(Cc2cc(=O)n3cc(Br)ccc3n2)C1 ZINC000532990186 564952031 /nfs/dbraw/zinc/95/20/31/564952031.db2.gz LRGMYWCOQGJUNO-CQSZACIVSA-N 1 0 393.329 2.621 20 0 GFADRO C[C@@H](CNC(=O)c1cccc(F)c1I)[NH+]1CCCC1 ZINC000533085713 564953647 /nfs/dbraw/zinc/95/36/47/564953647.db2.gz CGJSJEBTAVCQRN-JTQLQIEISA-N 1 0 376.213 2.644 20 0 GFADRO COC(=O)c1ccc(C[NH2+]C[C@@H](O)COc2ccccc2)c(Br)c1 ZINC000560243370 564954303 /nfs/dbraw/zinc/95/43/03/564954303.db2.gz IROQWYHHRWELNT-OAHLLOKOSA-N 1 0 394.265 2.765 20 0 GFADRO CS(=O)(=O)NC[C@H]1CCC[C@H]1[NH2+]Cc1c[nH]nc1-c1cccc(Cl)c1 ZINC000500465058 564954572 /nfs/dbraw/zinc/95/45/72/564954572.db2.gz UYFKQABFPAZGIB-CZUORRHYSA-N 1 0 382.917 2.538 20 0 GFADRO CN1CC[NH+](CCCCNC(=O)[C@H]2C[C@H]2c2ccc(Br)cc2)CC1 ZINC000560361197 564958895 /nfs/dbraw/zinc/95/88/95/564958895.db2.gz OXWOFXJTHFLDCL-ROUUACIJSA-N 1 0 394.357 2.696 20 0 GFADRO CCOC(=O)CN(C)C(=O)C[NH2+]C1(c2ccc(Br)cc2)CCCC1 ZINC000533350688 564961083 /nfs/dbraw/zinc/96/10/83/564961083.db2.gz RDZNFULIMUASPI-UHFFFAOYSA-N 1 0 397.313 2.830 20 0 GFADRO C[C@H](C(=O)NC[C@@H](C[NH+](C)C)c1ccc(Cl)cc1)N(C)CC(F)(F)F ZINC000560505957 564965835 /nfs/dbraw/zinc/96/58/35/564965835.db2.gz WUIMTTVCSRMYLK-OCCSQVGLSA-N 1 0 379.854 2.984 20 0 GFADRO CCOc1c(Cl)cc(NC(=O)C(=O)N[C@@H]2CCC[N@H+](C)[C@H]2C)cc1Cl ZINC000467543322 564966513 /nfs/dbraw/zinc/96/65/13/564966513.db2.gz NWWXDDPGPUSELM-IINYFYTJSA-N 1 0 388.295 2.930 20 0 GFADRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)c2cn3ccc(Br)cc3n2)C1 ZINC000560557816 564967489 /nfs/dbraw/zinc/96/74/89/564967489.db2.gz ZPMZIWYLMSLXHR-CYBMUJFWSA-N 1 0 379.302 2.805 20 0 GFADRO CCOc1c(Cl)cc(NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)cc1Cl ZINC000467615269 564968086 /nfs/dbraw/zinc/96/80/86/564968086.db2.gz MYXBXPVZAAYDSL-JTQLQIEISA-N 1 0 386.279 2.684 20 0 GFADRO CCOc1c(Cl)cc(NC(=O)C(=O)NCC[N@H+](C)C(C)C)cc1Cl ZINC000467612535 564968200 /nfs/dbraw/zinc/96/82/00/564968200.db2.gz AITMHXSGHHRIOR-UHFFFAOYSA-N 1 0 376.284 2.787 20 0 GFADRO Fc1ccc(Br)c(F)c1CN1CCN(CC[NH+]2CCCC2)CC1 ZINC000501079415 564970035 /nfs/dbraw/zinc/97/00/35/564970035.db2.gz SQTQBKLFFLMOBR-UHFFFAOYSA-N 1 0 388.300 2.941 20 0 GFADRO C[NH+](C)CCCCC(=O)NCc1nnc2c(Cl)cc(C(F)(F)F)cn12 ZINC000560696079 564972234 /nfs/dbraw/zinc/97/22/34/564972234.db2.gz BAHJUYUGMSLIKX-UHFFFAOYSA-N 1 0 377.798 2.750 20 0 GFADRO CC(C)[NH+](CCCNS(=O)(=O)c1ccc(Br)cn1)C(C)C ZINC000467795241 564972620 /nfs/dbraw/zinc/97/26/20/564972620.db2.gz MBKVQGYHTLYIPR-UHFFFAOYSA-N 1 0 378.336 2.631 20 0 GFADRO COCc1c(Br)cccc1NC(=O)NCCNc1cc[nH+]cc1 ZINC000533813855 564973644 /nfs/dbraw/zinc/97/36/44/564973644.db2.gz GAYPLVDIYGIFJF-UHFFFAOYSA-N 1 0 379.258 2.646 20 0 GFADRO C[C@@H]([NH2+][C@@H](C)CC(F)(F)F)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000468044451 564977599 /nfs/dbraw/zinc/97/75/99/564977599.db2.gz IEKMTWAQZMFXCG-QWHCGFSZSA-N 1 0 380.432 2.699 20 0 GFADRO CS[C@@H]1CN(C(=O)[C@H](C)Oc2ccccc2C(F)(F)F)C[C@@H]1[NH+](C)C ZINC000534093588 564979358 /nfs/dbraw/zinc/97/93/58/564979358.db2.gz WQYWXZGFFOMDCY-CORIIIEPSA-N 1 0 376.444 2.977 20 0 GFADRO Cn1nnc2cc(C[N@H+](C)[C@H](CO)c3cccc(Br)c3)ccc21 ZINC000501423969 564979584 /nfs/dbraw/zinc/97/95/84/564979584.db2.gz PFSVQEXBUSTZRA-QGZVFWFLSA-N 1 0 375.270 2.896 20 0 GFADRO CS[C@@H]1CN(C(=O)C2(c3ccccc3Cl)CCOCC2)C[C@@H]1[NH+](C)C ZINC000534093301 564979752 /nfs/dbraw/zinc/97/97/52/564979752.db2.gz IXVRMSRWTWDKNG-DLBZAZTESA-N 1 0 382.957 2.892 20 0 GFADRO C[C@H](C(=O)N1CCN(C(=O)c2cccc(Cl)c2Cl)CC1)[NH+]1CC(C)C1 ZINC000561158591 564986219 /nfs/dbraw/zinc/98/62/19/564986219.db2.gz GLBHIRGPCJQXMN-CYBMUJFWSA-N 1 0 384.307 2.618 20 0 GFADRO CC[N@@H+]1CCN(C(=O)[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)[C@@H](C)C1 ZINC000561157012 564986238 /nfs/dbraw/zinc/98/62/38/564986238.db2.gz GVHGZQCMNIOOLQ-JSGCOSHPSA-N 1 0 384.307 2.899 20 0 GFADRO CN(C)[C@H](C(=O)N1CC[C@H](C(F)(F)F)[C@H](CO)C1)c1cccc(Cl)c1 ZINC000561168446 564986307 /nfs/dbraw/zinc/98/63/07/564986307.db2.gz WHXACTREQJBFLK-QEJZJMRPSA-N 1 0 378.822 2.962 20 0 GFADRO COCC[N@H+](CCN1CCO[C@H](C)C1)Cc1ccc(Br)s1 ZINC000501877041 564987166 /nfs/dbraw/zinc/98/71/66/564987166.db2.gz WLFRDLIITRQPET-CYBMUJFWSA-N 1 0 377.348 2.680 20 0 GFADRO C[C@]1(CNC(=O)N2CCO[C@H](c3cccc(Br)c3)C2)CCC[NH2+]C1 ZINC000561215377 564987797 /nfs/dbraw/zinc/98/77/97/564987797.db2.gz MJKDEFFSRVNFQP-WMZOPIPTSA-N 1 0 396.329 2.922 20 0 GFADRO CN(C(=O)c1cn(-c2ccc(Br)cc2)cn1)[C@H]1C[NH+]2CCC1CC2 ZINC000534419675 564988589 /nfs/dbraw/zinc/98/85/89/564988589.db2.gz XYFNIBBGJVWAHH-KRWDZBQOSA-N 1 0 389.297 2.801 20 0 GFADRO Cc1ccc(Br)cc1-c1nnc(N2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)s1 ZINC000468707685 564990597 /nfs/dbraw/zinc/99/05/97/564990597.db2.gz AUYXSJFHSRFGRI-KBPBESRZSA-N 1 0 395.326 2.795 20 0 GFADRO CC[C@H](C)[N@H+](C)CCNS(=O)(=O)c1cc(F)c(Br)cc1F ZINC000534513675 564990752 /nfs/dbraw/zinc/99/07/52/564990752.db2.gz SCWKCZYWFNHKJL-VIFPVBQESA-N 1 0 385.274 2.736 20 0 GFADRO O[C@@H](C[NH2+]Cc1cc(Br)c2c(c1)OCCO2)COc1ccccc1 ZINC000561334550 564991685 /nfs/dbraw/zinc/99/16/85/564991685.db2.gz MDHQXIQPBBHBRH-AWEZNQCLSA-N 1 0 394.265 2.750 20 0 GFADRO COC(=O)c1sc2nc(C)nc(N3C[C@@H]([NH+](C)C)[C@@H](SC)C3)c2c1C ZINC000502142770 564992379 /nfs/dbraw/zinc/99/23/79/564992379.db2.gz NHBUEISOVGZRNM-NEPJUHHUSA-N 1 0 380.539 2.577 20 0 GFADRO CO[C@@H](CC[NH2+][C@H](C)c1cccc(N2CCCS2(=O)=O)c1)C(F)(F)F ZINC000468873792 564996672 /nfs/dbraw/zinc/99/66/72/564996672.db2.gz FIDXOMFUPNAONR-DOMZBBRYSA-N 1 0 380.432 2.845 20 0 GFADRO CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CC(=O)Nc3ccc(Br)cc32)C1 ZINC000468866819 564996706 /nfs/dbraw/zinc/99/67/06/564996706.db2.gz GTJPBBHAEVXHFX-IUODEOHRSA-N 1 0 394.313 2.723 20 0 GFADRO CS[C@@H]1CN(C(=O)Cc2ccc(F)c(Br)c2)C[C@@H]1[NH+](C)C ZINC000534829758 564998429 /nfs/dbraw/zinc/99/84/29/564998429.db2.gz TYTQEAZSWYKDKU-UONOGXRCSA-N 1 0 375.307 2.635 20 0 GFADRO C[C@H]1C[C@@H](NS(=O)(=O)c2cc(Br)cc3cccnc32)CC[N@@H+]1C ZINC000561519292 564998999 /nfs/dbraw/zinc/99/89/99/564998999.db2.gz QGEIXSOGRORMMJ-FZMZJTMJSA-N 1 0 398.326 2.758 20 0 GFADRO C[C@@H](C[NH+]1CCOCC1)C(=O)N1CCN(c2c(Cl)cccc2Cl)CC1 ZINC000468934087 564999375 /nfs/dbraw/zinc/99/93/75/564999375.db2.gz KHFICNIBPFPPJB-AWEZNQCLSA-N 1 0 386.323 2.610 20 0 GFADRO CS[C@H]1CN(C(=O)c2ccnc(-c3ccc(Cl)cc3)n2)C[C@@H]1[NH+](C)C ZINC000502474676 564999537 /nfs/dbraw/zinc/99/95/37/564999537.db2.gz SKPXFHKKBKDIBV-HOTGVXAUSA-N 1 0 376.913 2.915 20 0 GFADRO CS[C@@H]1CN([C@@H](C)C(=O)Nc2ccc(Br)cc2)C[C@@H]1[NH+](C)C ZINC000534954184 565000479 /nfs/dbraw/zinc/00/04/79/565000479.db2.gz DDZIQKVABMXEOO-TUKIKUTGSA-N 1 0 386.359 2.754 20 0 GFADRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1S(=O)(=O)Cc1cccc(Br)c1 ZINC000561551046 565001033 /nfs/dbraw/zinc/00/10/33/565001033.db2.gz LZTDKLDYIOGAQB-XJKSGUPXSA-N 1 0 387.343 2.838 20 0 GFADRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1S(=O)(=O)Cc1ccc(Br)cc1 ZINC000561552431 565001147 /nfs/dbraw/zinc/00/11/47/565001147.db2.gz QKHDQJIIYINMAS-BBRMVZONSA-N 1 0 387.343 2.838 20 0 GFADRO C[C@H](c1ccccc1Cl)N1CCN(C(=O)C[N@H+](C)[C@@H]2CCSC2)CC1 ZINC000535004632 565002454 /nfs/dbraw/zinc/00/24/54/565002454.db2.gz NZXYVNCTYOPMPK-HZPDHXFCSA-N 1 0 381.973 2.983 20 0 GFADRO COc1ccc(C[NH2+]CCC2CCS(=O)(=O)CC2)cc1Br ZINC000535072048 565003904 /nfs/dbraw/zinc/00/39/04/565003904.db2.gz OIEFWXNEWCRSAK-UHFFFAOYSA-N 1 0 376.316 2.762 20 0 GFADRO CCC[NH+]1CCC(CNS(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000502735766 565004674 /nfs/dbraw/zinc/00/46/74/565004674.db2.gz HPROMFWCIRHERD-UHFFFAOYSA-N 1 0 375.332 2.849 20 0 GFADRO C[C@H](CNC(=O)N(C)CCn1cc(Br)cn1)[N@@H+]1CCCC[C@@H]1C ZINC000561704062 565006588 /nfs/dbraw/zinc/00/65/88/565006588.db2.gz JCJPSQCOKKGXGN-UONOGXRCSA-N 1 0 386.338 2.550 20 0 GFADRO CNC(=O)[C@H]1CCC[C@@H]1[NH2+]CCOc1ccc(Cl)cc1Br ZINC000502856896 565007619 /nfs/dbraw/zinc/00/76/19/565007619.db2.gz OOQIHBKBJKEUJJ-AAEUAGOBSA-N 1 0 375.694 2.986 20 0 GFADRO COc1cc(Br)ccc1[C@H](C)NC(=O)NCCNc1cc[nH+]cc1 ZINC000469210175 565009409 /nfs/dbraw/zinc/00/94/09/565009409.db2.gz WXYDKHLAEHNNTA-LBPRGKRZSA-N 1 0 393.285 2.747 20 0 GFADRO CS(=O)(=O)c1ccc(C[NH2+]CC2(CN3CCOCC3)CCCCC2)s1 ZINC000469217712 565009993 /nfs/dbraw/zinc/00/99/93/565009993.db2.gz RKWBSOUXPNLAHX-UHFFFAOYSA-N 1 0 386.583 2.524 20 0 GFADRO CC(C)[NH+]1CCN(C(=O)N[C@@H]2CCN(c3ccc(Br)cc3)C2)CC1 ZINC000502979661 565010315 /nfs/dbraw/zinc/01/03/15/565010315.db2.gz JYEQDSHOZAYPBQ-MRXNPFEDSA-N 1 0 395.345 2.763 20 0 GFADRO CS[C@@H]1CN(S(=O)(=O)c2ccc(F)cc2C(F)(F)F)C[C@@H]1[NH+](C)C ZINC000503206586 565013774 /nfs/dbraw/zinc/01/37/74/565013774.db2.gz HKBCGRAJFQPVAS-NWDGAFQWSA-N 1 0 386.436 2.511 20 0 GFADRO CS[C@H]1CN(S(=O)(=O)Cc2ccccc2C(F)(F)F)C[C@@H]1[NH+](C)C ZINC000503231619 565015494 /nfs/dbraw/zinc/01/54/94/565015494.db2.gz LCQAPCSVOIWQMH-KBPBESRZSA-N 1 0 382.473 2.513 20 0 GFADRO CC[C@@H](C(=O)NCc1nnc(-c2ccc(Br)cc2)[nH]1)[NH+](CC)CC ZINC000469399178 565016585 /nfs/dbraw/zinc/01/65/85/565016585.db2.gz DTDQYJOQUGETFW-AWEZNQCLSA-N 1 0 394.317 2.971 20 0 GFADRO CS(=O)(=O)N[C@@H]1CCCC[C@H]1C[NH2+]Cc1cc(O)cc(C(F)(F)F)c1 ZINC000562074430 565016775 /nfs/dbraw/zinc/01/67/75/565016775.db2.gz SEKPGSXAYOLUID-SWLSCSKDSA-N 1 0 380.432 2.609 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N[C@H](C)C[N@@H+](C)C(C)C)c(Br)c1 ZINC000562158046 565019033 /nfs/dbraw/zinc/01/90/33/565019033.db2.gz PTNISDRSUGVLOF-CYBMUJFWSA-N 1 0 384.318 2.849 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)[C@H]1CC(=O)Nc2ccc(Br)cc21 ZINC000469528866 565019468 /nfs/dbraw/zinc/01/94/68/565019468.db2.gz JQHYQTZCROEPRQ-ZFWWWQNUSA-N 1 0 394.313 2.818 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)[C@@H]2CC(=O)Nc3ccc(Br)cc32)C1 ZINC000469548993 565019896 /nfs/dbraw/zinc/01/98/96/565019896.db2.gz FTGJUDINLXYREL-UMVBOHGHSA-N 1 0 394.313 2.864 20 0 GFADRO CC[NH+](CC)CC[C@H](CO)NC(=O)C(C)(C)c1ccc(Br)cc1 ZINC000535836270 565023043 /nfs/dbraw/zinc/02/30/43/565023043.db2.gz OHNTYDNJRGEWHP-MRXNPFEDSA-N 1 0 385.346 2.936 20 0 GFADRO C[N@@H+]1CC[C@@H](NC(=O)c2cc[nH]c(=O)c2Br)[C@H]1c1ccccc1 ZINC000469687200 565023892 /nfs/dbraw/zinc/02/38/92/565023892.db2.gz HYVKDTSEBKWVCE-UKRRQHHQSA-N 1 0 376.254 2.725 20 0 GFADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)C[C@](C)(O)C1CC1 ZINC000535918969 565025378 /nfs/dbraw/zinc/02/53/78/565025378.db2.gz NZSYOSSITLQGPY-SFHVURJKSA-N 1 0 383.330 2.890 20 0 GFADRO C[C@@H](C[N@H+](C)CCC(=O)N1CCOCC1)Oc1ccc(Cl)c(Cl)c1 ZINC000469742842 565025479 /nfs/dbraw/zinc/02/54/79/565025479.db2.gz UWLWWSVASQDHNP-ZDUSSCGKSA-N 1 0 375.296 2.941 20 0 GFADRO COC(=O)c1cccc(NC(=O)C[NH2+][C@H](C)c2ccc(Br)cc2)n1 ZINC000469760907 565025974 /nfs/dbraw/zinc/02/59/74/565025974.db2.gz OQAMSNJOQLQGKD-LLVKDONJSA-N 1 0 392.253 2.920 20 0 GFADRO CC[C@H](C[N@H+](C)[C@@H](C)C(=O)NCC(=O)OC)Oc1ccc(Cl)c(Cl)c1 ZINC000469755752 565026030 /nfs/dbraw/zinc/02/60/30/565026030.db2.gz IKWQHIMKOHVFTD-NWDGAFQWSA-N 1 0 391.295 2.760 20 0 GFADRO CCS[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1cc(S(C)(=O)=O)ccc1F ZINC000469781647 565027137 /nfs/dbraw/zinc/02/71/37/565027137.db2.gz WMLIOQKIYJITSK-GDBMZVCRSA-N 1 0 388.530 2.822 20 0 GFADRO O=S(=O)(c1ccc(Cl)cc1F)N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000469800882 565027962 /nfs/dbraw/zinc/02/79/62/565027962.db2.gz NAZPJOTTXTVCBZ-OAHLLOKOSA-N 1 0 390.908 2.745 20 0 GFADRO COc1cc(Br)ccc1CCC[N@@H+]1C[C@@H]2CCC[C@H]2[C@H]1C(N)=O ZINC000469832089 565028655 /nfs/dbraw/zinc/02/86/55/565028655.db2.gz RFEKLJXXIBCNAS-LXZKKBNFSA-N 1 0 381.314 2.976 20 0 GFADRO CC(C)[C@H]1CN(C(=O)[C@H]2CC(=O)Nc3ccc(Br)cc32)CC[N@@H+]1C ZINC000469848937 565029364 /nfs/dbraw/zinc/02/93/64/565029364.db2.gz ASXJBJZDYRDNKQ-GOEBONIOSA-N 1 0 394.313 2.674 20 0 GFADRO CO[C@@H]1CCN(Cc2cnn(-c3ccc(Br)cc3)c2)[C@H](C[NH3+])C1 ZINC000469872824 565030161 /nfs/dbraw/zinc/03/01/61/565030161.db2.gz CTHMJQHZLXSMCS-DLBZAZTESA-N 1 0 379.302 2.573 20 0 GFADRO CO[C@H]1CCN(Cc2cnn(-c3ccc(Br)cc3)c2)[C@H](C[NH3+])C1 ZINC000469872826 565030349 /nfs/dbraw/zinc/03/03/49/565030349.db2.gz CTHMJQHZLXSMCS-IRXDYDNUSA-N 1 0 379.302 2.573 20 0 GFADRO O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)Nc1ccncc1Br ZINC000469903626 565031592 /nfs/dbraw/zinc/03/15/92/565031592.db2.gz DRDUQMNHALCCHY-HNNXBMFYSA-N 1 0 389.297 2.910 20 0 GFADRO COC(=O)c1ccc(S(=O)(=O)N(C)CC[NH+](C(C)C)C(C)C)cc1Cl ZINC000503977006 565032263 /nfs/dbraw/zinc/03/22/63/565032263.db2.gz KDQIKXGMOSFFQZ-UHFFFAOYSA-N 1 0 390.933 2.866 20 0 GFADRO CCC(C)(C)[NH2+][C@@H](C)C(=O)N[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000562578518 565034445 /nfs/dbraw/zinc/03/44/45/565034445.db2.gz FNTFBRDZMOYJIU-WFASDCNBSA-N 1 0 396.329 2.837 20 0 GFADRO C[C@@H](CO)[N@@H+]1CCCN(C(=O)CCOc2cccc(Cl)c2Cl)CC1 ZINC000470069268 565037228 /nfs/dbraw/zinc/03/72/28/565037228.db2.gz CXMABHYQAKTVKX-ZDUSSCGKSA-N 1 0 375.296 2.677 20 0 GFADRO C[C@H]1C[N@H+](CCCNC(=O)CCc2cccc(Br)c2)CCCO1 ZINC000470091981 565038035 /nfs/dbraw/zinc/03/80/35/565038035.db2.gz JESXZCMWEOAQRE-HNNXBMFYSA-N 1 0 383.330 2.999 20 0 GFADRO CC[C@H]([NH2+]Cc1cc(Br)c(OC)c(Br)c1)C(=O)NC ZINC000562659545 565038318 /nfs/dbraw/zinc/03/83/18/565038318.db2.gz CZWOXUXVWNEKBN-NSHDSACASA-N 1 0 394.107 2.834 20 0 GFADRO C[C@@H](Cc1ccsc1)[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000562736800 565040420 /nfs/dbraw/zinc/04/04/20/565040420.db2.gz OGHMWLABPHSCBK-JTQLQIEISA-N 1 0 389.340 2.879 20 0 GFADRO O=C(NCCC1=CC[NH2+]CC1)N1CCO[C@@H](c2cccc(Br)c2)C1 ZINC000562815996 565043820 /nfs/dbraw/zinc/04/38/20/565043820.db2.gz KTCISDRSKNSKDD-QGZVFWFLSA-N 1 0 394.313 2.842 20 0 GFADRO COC(=O)[C@@H](NC(=O)C[N@H+](Cc1cccc(Br)c1)C(C)C)C(C)C ZINC000562906573 565047004 /nfs/dbraw/zinc/04/70/04/565047004.db2.gz VHOQUVZVKDHNJH-KRWDZBQOSA-N 1 0 399.329 2.973 20 0 GFADRO Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)[NH2+]C[C@@H]1CS(=O)(=O)CCO1 ZINC000536853369 565048552 /nfs/dbraw/zinc/04/85/52/565048552.db2.gz PPTKWRGQYBRSPF-XHDPSFHLSA-N 1 0 384.498 2.722 20 0 GFADRO C[C@@H](Cc1ccc(Br)cc1)NC(=O)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000562957541 565049184 /nfs/dbraw/zinc/04/91/84/565049184.db2.gz BJFQEXMPGKLRPJ-GUYCJALGSA-N 1 0 391.313 2.931 20 0 GFADRO C[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(Br)c2ccccc12 ZINC000536963109 565050720 /nfs/dbraw/zinc/05/07/20/565050720.db2.gz PUSDIWXCCAKGOO-GFCCVEGCSA-N 1 0 390.281 2.751 20 0 GFADRO CN(CC[NH2+]C[C@@H](O)COc1cc(Cl)ccc1Cl)CC(F)(F)F ZINC000562994738 565051491 /nfs/dbraw/zinc/05/14/91/565051491.db2.gz ZESGNAKWAGVKFF-LLVKDONJSA-N 1 0 375.218 2.817 20 0 GFADRO COCC[N@H+](C)CCCNC(=O)N1CCc2cc(Br)cc(C)c2C1 ZINC000537021574 565051951 /nfs/dbraw/zinc/05/19/51/565051951.db2.gz CQFXXISQMKIIHT-UHFFFAOYSA-N 1 0 398.345 2.794 20 0 GFADRO CCCN(CCC[NH+](C)C)C(=O)[C@H](C)NC(=O)c1ccc(Br)cc1 ZINC000470676113 565052475 /nfs/dbraw/zinc/05/24/75/565052475.db2.gz XXDWASMMUONORJ-AWEZNQCLSA-N 1 0 398.345 2.758 20 0 GFADRO C[C@H](CNC(=O)C1(c2cccc(Br)c2)CC(=O)C1)[N@H+](C)C1CC1 ZINC000537247203 565055641 /nfs/dbraw/zinc/05/56/41/565055641.db2.gz VOZCYDQOKXKYFD-GFCCVEGCSA-N 1 0 379.298 2.649 20 0 GFADRO COC(=O)c1ccc(CNC(=O)[C@@](C)([NH3+])c2ccc(Br)cc2)s1 ZINC000563100191 565055961 /nfs/dbraw/zinc/05/59/61/565055961.db2.gz UGBOKKAROXTCTA-INIZCTEOSA-N 1 0 397.294 2.788 20 0 GFADRO O=S(=O)(c1ccc(Br)cc1F)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000563130192 565057017 /nfs/dbraw/zinc/05/70/17/565057017.db2.gz UXAFAGABNUEINK-VXGBXAGGSA-N 1 0 391.306 2.598 20 0 GFADRO NC(=O)[C@@H](C[NH2+]Cc1ccc(Br)cn1)Cc1ccccc1Cl ZINC000537414867 565058157 /nfs/dbraw/zinc/05/81/57/565058157.db2.gz XARUDZXXWKQKQC-GFCCVEGCSA-N 1 0 382.689 2.931 20 0 GFADRO O=C(NCC[NH2+][C@@H]1CCCc2ccc(Br)cc21)c1cnccn1 ZINC000537768179 565062397 /nfs/dbraw/zinc/06/23/97/565062397.db2.gz TVMYNTCLBFNLDB-OAHLLOKOSA-N 1 0 375.270 2.636 20 0 GFADRO CC(C)[N@@H+](C)C[C@H](C)NC(=O)NCc1cc(Br)cc2c1OCC2 ZINC000584324130 565076349 /nfs/dbraw/zinc/07/63/49/565076349.db2.gz AQRXTRBPLSSYGR-LBPRGKRZSA-N 1 0 384.318 2.912 20 0 GFADRO C[C@H](C(=O)N(C)Cc1cccc(Br)c1OC[C@@H]1CCCO1)[NH+](C)C ZINC000635837062 565077261 /nfs/dbraw/zinc/07/72/61/565077261.db2.gz AVJKFYLWICFWAL-HIFRSBDPSA-N 1 0 399.329 2.915 20 0 GFADRO Cc1c(Br)ccnc1NC(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000584399629 565079010 /nfs/dbraw/zinc/07/90/10/565079010.db2.gz BLXMZISJVFUJPJ-UHFFFAOYSA-N 1 0 393.289 3.260 20 0 GFADRO C[NH+](C)C1CN(C(=O)Nc2ccc(-c3ccc(Br)s3)nn2)C1 ZINC000684698963 565079487 /nfs/dbraw/zinc/07/94/87/565079487.db2.gz MVGQYCNPZCHQOK-UHFFFAOYSA-N 1 0 382.287 2.745 20 0 GFADRO C[C@@H]([NH2+][C@@H]1CCC(F)(F)C1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000684677691 565079557 /nfs/dbraw/zinc/07/95/57/565079557.db2.gz CUWJWBGYXAOYTF-PSASIEDQSA-N 1 0 383.258 2.935 20 0 GFADRO O=C(Nc1ccc(Cl)c(Br)c1)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000584470780 565083174 /nfs/dbraw/zinc/08/31/74/565083174.db2.gz IROXNXZHGBZPLH-JTQLQIEISA-N 1 0 384.665 2.698 20 0 GFADRO C[N@@H+]1CC[C@@H](CC(=O)Nc2cc(N3CCOCC3)ccc2Br)C1 ZINC000635997110 565086223 /nfs/dbraw/zinc/08/62/23/565086223.db2.gz QGCNXFITIMSVGL-ZDUSSCGKSA-N 1 0 382.302 2.566 20 0 GFADRO OCC[C@@H](C[NH2+]C[C@H](O)COc1cccc(Br)c1)c1ccccc1 ZINC000584598042 565089013 /nfs/dbraw/zinc/08/90/13/565089013.db2.gz CZTVDAJFCQQPDU-WMZOPIPTSA-N 1 0 394.309 2.945 20 0 GFADRO C[N@@H+]1CCCC[C@H]1C(=O)N1CCN(Cc2cc(Br)ccc2F)CC1 ZINC000684996314 565093020 /nfs/dbraw/zinc/09/30/20/565093020.db2.gz RERXHUDMEPHYJB-KRWDZBQOSA-N 1 0 398.320 2.717 20 0 GFADRO CN(CCC[NH+]1CCCC1)C(=O)c1cnc2ncc(Br)cc2c1 ZINC000684987364 565093221 /nfs/dbraw/zinc/09/32/21/565093221.db2.gz UIEQMNNXNRXUKN-UHFFFAOYSA-N 1 0 377.286 2.950 20 0 GFADRO Cc1cc(CC[NH2+][C@H]2CCS(=O)(=O)c3ccc(Br)cc32)on1 ZINC000584710831 565093528 /nfs/dbraw/zinc/09/35/28/565093528.db2.gz KDQGZRULDSNSBZ-AWEZNQCLSA-N 1 0 385.283 2.796 20 0 GFADRO Cc1ncsc1-c1ccc(C[NH2+]CCS(=O)(=O)N2CCSCC2)cc1 ZINC000657354494 565098119 /nfs/dbraw/zinc/09/81/19/565098119.db2.gz WMGPGUAYVFGWAF-UHFFFAOYSA-N 1 0 397.591 2.587 20 0 GFADRO CCS(=O)(=O)NCCC[NH2+][C@@H](CCOC)c1ccc(Cl)c(Cl)c1 ZINC000584794907 565099219 /nfs/dbraw/zinc/09/92/19/565099219.db2.gz DTIDNNQRRZFEFU-HNNXBMFYSA-N 1 0 383.341 2.990 20 0 GFADRO O=S(=O)(NCC[NH2+]Cc1ccc(O)cc1)c1cccc(Cl)c1Cl ZINC000685439459 565106099 /nfs/dbraw/zinc/10/60/99/565106099.db2.gz DHNSBQCMRSDBCD-UHFFFAOYSA-N 1 0 375.277 2.767 20 0 GFADRO CC[C@H]1C[N@H+](C)CCCN1C(=O)c1cc(Br)cc2[nH]c(=O)[nH]c21 ZINC000614340413 565108487 /nfs/dbraw/zinc/10/84/87/565108487.db2.gz BAFGLNCQECIFBH-NSHDSACASA-N 1 0 381.274 2.587 20 0 GFADRO Brc1cc(CN2CC[NH+](C[C@@H]3CCCO3)CC2)cc2c1OCCO2 ZINC000614326559 565108594 /nfs/dbraw/zinc/10/85/94/565108594.db2.gz XRHWPKSCTDOMMM-HNNXBMFYSA-N 1 0 397.313 2.517 20 0 GFADRO O=C(Nc1cccc(Br)c1F)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000657563591 565108755 /nfs/dbraw/zinc/10/87/55/565108755.db2.gz LRHZLVHYEAWHRR-UHFFFAOYSA-N 1 0 398.276 2.517 20 0 GFADRO COC[C@H]([NH2+]Cc1cnc2c(C)cc(Br)cn12)C1CCOCC1 ZINC000657565884 565109345 /nfs/dbraw/zinc/10/93/45/565109345.db2.gz VWHRJQVPBDEEMU-INIZCTEOSA-N 1 0 382.302 2.936 20 0 GFADRO O=C(Nc1cccc(Br)c1F)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000657571217 565110031 /nfs/dbraw/zinc/11/00/31/565110031.db2.gz WURBTGGNUIMGIA-GFCCVEGCSA-N 1 0 398.276 2.614 20 0 GFADRO COC(=O)c1ccc(CN2CC[NH+](C[C@@H]3CCCO3)CC2)c(Br)c1 ZINC000585765263 565110210 /nfs/dbraw/zinc/11/02/10/565110210.db2.gz LZJMELSMSIISBS-INIZCTEOSA-N 1 0 397.313 2.532 20 0 GFADRO CO[C@@H]1CCC[C@@H]([C@@H](CO)[NH2+]Cc2cn3ccc(Br)cc3n2)C1 ZINC000657577894 565110281 /nfs/dbraw/zinc/11/02/81/565110281.db2.gz RWWPWFCZZGTCEC-DAXOMENPSA-N 1 0 382.302 2.753 20 0 GFADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CSc2c(F)cc(F)cc2F)C1 ZINC000614389581 565110372 /nfs/dbraw/zinc/11/03/72/565110372.db2.gz CCKOFFCLBKXEEJ-CYBMUJFWSA-N 1 0 376.444 2.669 20 0 GFADRO CO[C@@H]1CCC[C@@H]([C@@H](CO)[NH2+]Cc2cnc3ccc(Br)cn23)C1 ZINC000657575897 565110511 /nfs/dbraw/zinc/11/05/11/565110511.db2.gz GEPVEBDFFCCHNL-DAXOMENPSA-N 1 0 382.302 2.753 20 0 GFADRO O=C(c1ccc(F)c(Br)c1)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000614438246 565112159 /nfs/dbraw/zinc/11/21/59/565112159.db2.gz NXGBBHYTHLBUJA-AWEZNQCLSA-N 1 0 385.277 2.915 20 0 GFADRO COCCOCCNC(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000636591652 565116181 /nfs/dbraw/zinc/11/61/81/565116181.db2.gz MYVJYHDRMGOCMA-HNNXBMFYSA-N 1 0 378.300 2.558 20 0 GFADRO C[C@@H](NC(=O)C(=O)Nc1cccc(Br)c1F)C(C)(C)C[NH+](C)C ZINC000657732327 565125024 /nfs/dbraw/zinc/12/50/24/565125024.db2.gz LGYIFYLPEIUNGS-SNVBAGLBSA-N 1 0 388.281 2.619 20 0 GFADRO CC(C)[C@H](O)[C@H]([NH2+]Cc1ccc(S(N)(=O)=O)c(Cl)c1)c1ccccc1 ZINC000657749072 565126614 /nfs/dbraw/zinc/12/66/14/565126614.db2.gz XYNURCBDFJBEQZ-MSOLQXFVSA-N 1 0 382.913 2.835 20 0 GFADRO COc1ccc(CCC(=O)N[C@H]2CCc3cncn3C2)c(Br)c1 ZINC000614703715 565129578 /nfs/dbraw/zinc/12/95/78/565129578.db2.gz YRVFZQHZDWSHIE-ZDUSSCGKSA-N 1 0 378.270 2.718 20 0 GFADRO C[N@@H+]1CCN(Cc2ccccc2)[C@@H](CNCc2ncc(Br)s2)C1 ZINC000657800767 565130566 /nfs/dbraw/zinc/13/05/66/565130566.db2.gz KJQADQCMBUWEJZ-HNNXBMFYSA-N 1 0 395.370 2.811 20 0 GFADRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1cc(Br)cc2[nH]c(=O)[nH]c21 ZINC000614724974 565130740 /nfs/dbraw/zinc/13/07/40/565130740.db2.gz OPBLUOQEKWBESX-PWSUYJOCSA-N 1 0 393.285 2.730 20 0 GFADRO CC[C@H](Cc1ccc(Br)cc1)[NH2+][C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000657858899 565134086 /nfs/dbraw/zinc/13/40/86/565134086.db2.gz MNSCPMJUISXKOJ-HZPDHXFCSA-N 1 0 389.359 2.784 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCN(c2ccccc2C(N)=O)C1)c1cncc(Br)c1 ZINC000657880305 565134815 /nfs/dbraw/zinc/13/48/15/565134815.db2.gz WATLBCKFIPLVGE-SWLSCSKDSA-N 1 0 389.297 2.873 20 0 GFADRO Cn1c(SCC(=O)NCCC[NH+]2CCCCC2)nnc1-c1cccs1 ZINC000588634370 565136430 /nfs/dbraw/zinc/13/64/30/565136430.db2.gz QVPUKRXHGCGSEL-UHFFFAOYSA-N 1 0 379.555 2.628 20 0 GFADRO COc1cc(F)c(S(=O)(=O)N(CC(C)C)C2CC[NH+](C)CC2)c(F)c1 ZINC000588678894 565137147 /nfs/dbraw/zinc/13/71/47/565137147.db2.gz CBFCUVYWJFUCMN-UHFFFAOYSA-N 1 0 376.469 2.714 20 0 GFADRO CC[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000657932285 565138698 /nfs/dbraw/zinc/13/86/98/565138698.db2.gz LAPRXBDZRGPPMP-GOEBONIOSA-N 1 0 378.460 2.898 20 0 GFADRO CC[C@@H](C)[NH2+][C@@H](CNC(=O)NCc1c(Br)cnn1C)c1ccco1 ZINC000637139804 565141148 /nfs/dbraw/zinc/14/11/48/565141148.db2.gz OOUFACLEPMEPIL-YPMHNXCESA-N 1 0 398.305 2.704 20 0 GFADRO O=C1[C@@H]([NH2+][C@H]2CCCn3nccc32)CCN1c1cccc(Br)c1 ZINC000657993339 565143760 /nfs/dbraw/zinc/14/37/60/565143760.db2.gz BNWGMNCIHOQMEJ-GJZGRUSLSA-N 1 0 375.270 2.876 20 0 GFADRO C[C@@H](CNC(=O)CCCCc1ccc(Br)cc1)N1CC[NH+](C)CC1 ZINC000588935360 565145628 /nfs/dbraw/zinc/14/56/28/565145628.db2.gz GAKCQNLOYANVPI-INIZCTEOSA-N 1 0 396.373 2.914 20 0 GFADRO COc1ccc(Br)cc1C[C@@H](CO)C[NH2+][C@@H]1COC2(CCC2)C1 ZINC000658032350 565147291 /nfs/dbraw/zinc/14/72/91/565147291.db2.gz QQKLZHGYYPQETJ-CJNGLKHVSA-N 1 0 384.314 2.910 20 0 GFADRO CO[C@H](C[NH2+][C@@H](C)CC(=O)Nc1ccc(Br)cc1)[C@@H]1CCOC1 ZINC000658074254 565148927 /nfs/dbraw/zinc/14/89/27/565148927.db2.gz SBDZGMSAIXGLDX-WOSRLPQWSA-N 1 0 385.302 2.807 20 0 GFADRO C[C@H]([NH2+]CCNC(=O)c1ccc(Br)cn1)c1ccccc1N(C)C ZINC000658091484 565149580 /nfs/dbraw/zinc/14/95/80/565149580.db2.gz FLQHQXYJYZPDRQ-ZDUSSCGKSA-N 1 0 391.313 2.991 20 0 GFADRO COCC[N@@H+]1CCCN(C(=O)[C@@H](C)Oc2cc(Cl)cc(Cl)c2)CC1 ZINC000589114703 565151018 /nfs/dbraw/zinc/15/10/18/565151018.db2.gz OIMLLWJJFOYSRS-CYBMUJFWSA-N 1 0 375.296 2.941 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)C(=O)Nc1ccc(F)cc1Br ZINC000658123140 565152186 /nfs/dbraw/zinc/15/21/86/565152186.db2.gz IDMXGLJWCZTFAP-NSHDSACASA-N 1 0 386.265 2.516 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)c(Br)c1 ZINC000658263437 565157192 /nfs/dbraw/zinc/15/71/92/565157192.db2.gz IVZPSHGORAURMC-ZDUSSCGKSA-N 1 0 396.329 2.993 20 0 GFADRO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)C1CCN(C(=O)c2ccc(Cl)s2)CC1 ZINC000615307563 565158019 /nfs/dbraw/zinc/15/80/19/565158019.db2.gz GYFVKOJNGBNMEO-OCCSQVGLSA-N 1 0 383.945 2.805 20 0 GFADRO CCC[N@@H+]1CC[C@H](N[C@@H](C)c2cc(S(N)(=O)=O)c(Cl)cc2Cl)C1 ZINC000658284972 565158621 /nfs/dbraw/zinc/15/86/21/565158621.db2.gz IQOXXISAEFNRPU-QWRGUYRKSA-N 1 0 380.341 2.776 20 0 GFADRO CCS(=O)(=O)C1(C[NH2+][C@@H](C)CC(=O)N(C)Cc2cccc(Cl)c2)CC1 ZINC000658301467 565158957 /nfs/dbraw/zinc/15/89/57/565158957.db2.gz XVKAHGHAIZJRKV-AWEZNQCLSA-N 1 0 386.945 2.634 20 0 GFADRO C[NH+](C)C[C@H](NC(=O)N[C@H]1Cc2cncn2C1)c1ccc(Cl)c(Cl)c1 ZINC000637474177 565159266 /nfs/dbraw/zinc/15/92/66/565159266.db2.gz XCWFUJJQWJSLCU-LRDDRELGSA-N 1 0 382.295 2.717 20 0 GFADRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)c3cc4cc(Br)sc4[nH]3)[C@H]2C1 ZINC000615348309 565159421 /nfs/dbraw/zinc/15/94/21/565159421.db2.gz QLZBHABKZMCMAU-QWHCGFSZSA-N 1 0 398.326 2.927 20 0 GFADRO C[C@@H]([NH2+]CC1CCC(O)CC1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000658282855 565159402 /nfs/dbraw/zinc/15/94/02/565159402.db2.gz BTWJIEFOYSILIG-KPPDAEKUSA-N 1 0 381.325 2.843 20 0 GFADRO C[C@@H]([NH2+]C[C@H]1CCOC1(C)C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000658331429 565160133 /nfs/dbraw/zinc/16/01/33/565160133.db2.gz OGQTXMCWFJWMSM-ZYHUDNBSSA-N 1 0 391.331 2.562 20 0 GFADRO CCN(C(=O)C(=O)Nc1nc(-c2ccc(C)s2)cs1)[C@@H]1CC[N@H+](C)C1 ZINC000658359483 565160856 /nfs/dbraw/zinc/16/08/56/565160856.db2.gz BNMGOKFWQNVEGQ-GFCCVEGCSA-N 1 0 378.523 2.671 20 0 GFADRO C[C@H]([NH3+])C1CCN(S(=O)(=O)c2cc(Cl)ccc2OC(F)(F)F)CC1 ZINC000658365464 565161017 /nfs/dbraw/zinc/16/10/17/565161017.db2.gz POFARWXFGUGXLW-VIFPVBQESA-N 1 0 386.823 2.987 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCCCN1S(=O)(=O)Cc1cc(F)ccc1Br ZINC000658364138 565161751 /nfs/dbraw/zinc/16/17/51/565161751.db2.gz APWHGWAHBUICNQ-IINYFYTJSA-N 1 0 379.295 2.620 20 0 GFADRO CCCOc1ccc(Br)cc1S(=O)(=O)N(C)C1CC[NH2+]CC1 ZINC000658364163 565161862 /nfs/dbraw/zinc/16/18/62/565161862.db2.gz BITKPDXMDHCFOK-UHFFFAOYSA-N 1 0 391.331 2.610 20 0 GFADRO C[NH2+][C@H]1CCN(S(=O)(=O)c2cc(Cl)c(Cl)cc2Br)C1 ZINC000658363923 565161960 /nfs/dbraw/zinc/16/19/60/565161960.db2.gz XNIVQCKUMSCLDP-ZETCQYMHSA-N 1 0 388.114 2.738 20 0 GFADRO CCCOc1ccc(Br)cc1S(=O)(=O)NC1(C[NH3+])CCCC1 ZINC000658367440 565162198 /nfs/dbraw/zinc/16/21/98/565162198.db2.gz KXJBAJHFBZXNMI-UHFFFAOYSA-N 1 0 391.331 2.788 20 0 GFADRO C[NH2+]CC1CCN(S(=O)(=O)c2cc(Cl)cc(Br)c2)CC1 ZINC000658366207 565162479 /nfs/dbraw/zinc/16/24/79/565162479.db2.gz IWTCONHCQZNMNU-UHFFFAOYSA-N 1 0 381.723 2.723 20 0 GFADRO CCCOc1ccc(Br)cc1S(=O)(=O)N1C[C@@H](C[NH3+])C[C@H]1C ZINC000658374335 565163350 /nfs/dbraw/zinc/16/33/50/565163350.db2.gz NHZBYNUGGRWHPQ-VXGBXAGGSA-N 1 0 391.331 2.596 20 0 GFADRO CC[C@@H]1CN(S(=O)(=O)c2cc(Cl)cc(Br)c2)CC[C@H]1[NH3+] ZINC000658376556 565163873 /nfs/dbraw/zinc/16/38/73/565163873.db2.gz UUQZXRJTLWYYKF-NOZJJQNGSA-N 1 0 381.723 2.850 20 0 GFADRO CCCOc1ccc(Br)cc1S(=O)(=O)N[C@@H](C[NH3+])C(C)(C)C ZINC000658381286 565164770 /nfs/dbraw/zinc/16/47/70/565164770.db2.gz FZRSDSAICYJTIC-AWEZNQCLSA-N 1 0 393.347 2.890 20 0 GFADRO CCCOc1ccc(Br)cc1S(=O)(=O)N(C)C1(C[NH3+])CCC1 ZINC000658381024 565165030 /nfs/dbraw/zinc/16/50/30/565165030.db2.gz PSJCMIGDAIQRFN-UHFFFAOYSA-N 1 0 391.331 2.740 20 0 GFADRO C[C@@H]1C[C@@H](C)N(S(=O)(=O)Cc2cc(F)ccc2Br)C[C@@H]1C[NH3+] ZINC000658382763 565165979 /nfs/dbraw/zinc/16/59/79/565165979.db2.gz GVSGEIHXGGPBQV-WZRBSPASSA-N 1 0 393.322 2.723 20 0 GFADRO O=S(=O)(N[C@H]1CC[NH2+]C2(CCC2)C1)c1cccc(OC(F)(F)F)c1F ZINC000658402246 565167866 /nfs/dbraw/zinc/16/78/66/565167866.db2.gz LLWHABGINJOLGE-JTQLQIEISA-N 1 0 382.379 2.677 20 0 GFADRO CCN(C(=O)C(=O)Nc1nc(-c2cccs2)cs1)[C@@H]1CC[N@H+](CC)C1 ZINC000658469254 565171527 /nfs/dbraw/zinc/17/15/27/565171527.db2.gz YDTICWFKRUXEPF-GFCCVEGCSA-N 1 0 378.523 2.753 20 0 GFADRO O=C(Nc1ccc(Br)cn1)[C@@H]1CCC[N@H+](Cc2ccc(=O)[nH]c2)C1 ZINC000637944247 565176901 /nfs/dbraw/zinc/17/69/01/565176901.db2.gz ZNHSUSZTOCVOBJ-CYBMUJFWSA-N 1 0 391.269 2.795 20 0 GFADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)Cc1sc(C)nc1-c1cccs1 ZINC000590122632 565178911 /nfs/dbraw/zinc/17/89/11/565178911.db2.gz ZIIRPFYZYZRPEX-CQSZACIVSA-N 1 0 379.551 2.950 20 0 GFADRO CCC[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2ccc(Br)cc2CC)C1 ZINC000658779758 565188014 /nfs/dbraw/zinc/18/80/14/565188014.db2.gz RRKLBMQRARGOSC-AWEZNQCLSA-N 1 0 382.302 2.551 20 0 GFADRO O=C(c1ccc2cncc(Br)c2n1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000638239582 565189203 /nfs/dbraw/zinc/18/92/03/565189203.db2.gz IOSLLJVNZSIXPO-CYBMUJFWSA-N 1 0 389.297 2.854 20 0 GFADRO O=C(c1cc(Br)c2nccn2c1)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000638262792 565189933 /nfs/dbraw/zinc/18/99/33/565189933.db2.gz NSHCCGBTKYQWFW-OLZOCXBDSA-N 1 0 377.286 2.559 20 0 GFADRO C[C@H](CN1CCOCC1)[NH2+][C@H]1CCN(C)[C@@H](c2ccc(Br)cc2)C1 ZINC000638368315 565194393 /nfs/dbraw/zinc/19/43/93/565194393.db2.gz VYTWCHMCUUPKKC-AYOQOUSVSA-N 1 0 396.373 2.895 20 0 GFADRO O=C(CN1CC[NH2+]CC1)N1CCc2sccc2[C@H]1c1ccc(Cl)cc1 ZINC000638421656 565194638 /nfs/dbraw/zinc/19/46/38/565194638.db2.gz XSFQDGSOHSKLEI-LJQANCHMSA-N 1 0 375.925 2.781 20 0 GFADRO CNS(=O)(=O)Cc1ccc(C[NH2+]Cc2cc(Cl)cc(Cl)c2N)cc1 ZINC000638406275 565195081 /nfs/dbraw/zinc/19/50/81/565195081.db2.gz KDJZUSONFVEENB-UHFFFAOYSA-N 1 0 388.320 2.915 20 0 GFADRO O=C(c1cc(Br)c2nccn2c1)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000638403812 565195492 /nfs/dbraw/zinc/19/54/92/565195492.db2.gz VOXGLNWZQVALEP-AWEZNQCLSA-N 1 0 391.313 2.949 20 0 GFADRO CC(C)(O)C[NH+]1CCC(NCc2cc(Br)c3c(c2)OCCO3)CC1 ZINC000638439616 565196067 /nfs/dbraw/zinc/19/60/67/565196067.db2.gz IGCPUGFWFOFVHX-UHFFFAOYSA-N 1 0 399.329 2.545 20 0 GFADRO COC1(C(=O)N(Cc2cccc(Br)c2)CC2CC2)CC[NH2+]CC1 ZINC000638448348 565196403 /nfs/dbraw/zinc/19/64/03/565196403.db2.gz TXCURTWLNTXYDQ-UHFFFAOYSA-N 1 0 381.314 2.956 20 0 GFADRO [NH3+]Cc1ncc(C(=O)N(Cc2cccc(Br)c2)CC2CC2)cn1 ZINC000638447900 565196737 /nfs/dbraw/zinc/19/67/37/565196737.db2.gz ONEVVUDQRRGGNS-UHFFFAOYSA-N 1 0 375.270 2.750 20 0 GFADRO CO[C@@H](C[NH2+]CCCNC(=O)c1cccc(Br)c1)C1CCOCC1 ZINC000638476900 565198107 /nfs/dbraw/zinc/19/81/07/565198107.db2.gz PZOJOYBVPXTQOF-KRWDZBQOSA-N 1 0 399.329 2.600 20 0 GFADRO COC[C@]1(C(=O)N[C@H](C)c2cc(F)c(Br)cc2F)CC[NH2+]C1 ZINC000638495410 565199101 /nfs/dbraw/zinc/19/91/01/565199101.db2.gz PAVQHPSWGJYOSO-PSLIRLAXSA-N 1 0 377.229 2.531 20 0 GFADRO Cc1cc(Br)c(Cl)cc1NC(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000659031411 565199555 /nfs/dbraw/zinc/19/95/55/565199555.db2.gz HDEPDXLNDZOYOG-SNVBAGLBSA-N 1 0 376.682 2.911 20 0 GFADRO CN1CC[C@H]([NH2+]CCCn2cncn2)C[C@@H]1c1ccc(Br)cc1 ZINC000638530400 565200249 /nfs/dbraw/zinc/20/02/49/565200249.db2.gz UEKWXUCNNLGBTL-DLBZAZTESA-N 1 0 378.318 2.856 20 0 GFADRO Cc1cc(Br)c(Cl)cc1NC(=O)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000659081242 565200631 /nfs/dbraw/zinc/20/06/31/565200631.db2.gz LJSRTDGHDZZBGL-UHFFFAOYSA-N 1 0 390.709 2.793 20 0 GFADRO [NH3+]CC12CC(C1)CN2C(=O)C(=O)Nc1cccc(Cl)c1SCC(F)F ZINC000659099938 565201497 /nfs/dbraw/zinc/20/14/97/565201497.db2.gz NZIUPGNELFEQPJ-UHFFFAOYSA-N 1 0 389.855 2.585 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)COc2ccc(Br)cc2)CC[C@H]1C(F)(F)F ZINC000638547771 565201892 /nfs/dbraw/zinc/20/18/92/565201892.db2.gz KJWJPGSHEZQWDS-ZWNOBZJWSA-N 1 0 395.219 2.814 20 0 GFADRO COc1ncc(Br)cc1CNC(=O)[C@@H](C)[C@H]([NH3+])c1ccccc1 ZINC000638561361 565203255 /nfs/dbraw/zinc/20/32/55/565203255.db2.gz RVDXGGKXAGWUIB-NHYWBVRUSA-N 1 0 378.270 2.805 20 0 GFADRO CC(C)[NH2+][C@@H]1CCCN(C(=O)c2cc(Br)c3c(c2)OCCO3)C1 ZINC000590812961 565205055 /nfs/dbraw/zinc/20/50/55/565205055.db2.gz ZECGGAMYVKKLOU-CYBMUJFWSA-N 1 0 383.286 2.823 20 0 GFADRO [NH3+]CC1(NC(=O)c2scc(Br)c2Br)CCOCC1 ZINC000638631703 565206082 /nfs/dbraw/zinc/20/60/82/565206082.db2.gz LHNSJOALZUIRDB-UHFFFAOYSA-N 1 0 398.120 2.511 20 0 GFADRO O=C(c1c[nH]nc1[C@@H]1CC[NH2+]C1)N1CCc2cc(F)cc(Br)c2C1 ZINC000638773012 565210143 /nfs/dbraw/zinc/21/01/43/565210143.db2.gz DOGLNIOABOOAPX-LLVKDONJSA-N 1 0 393.260 2.587 20 0 GFADRO CC[C@@](C)(COc1ncccc1Cl)[NH2+]Cc1ccc(S(N)(=O)=O)cc1 ZINC000638781385 565211857 /nfs/dbraw/zinc/21/18/57/565211857.db2.gz DFHFAHKHWJDSNL-KRWDZBQOSA-N 1 0 383.901 2.720 20 0 GFADRO [NH3+][C@H]1CCCCCN(C(=O)Cc2csc(NC(=O)c3cccs3)n2)C1 ZINC000638817593 565212732 /nfs/dbraw/zinc/21/27/32/565212732.db2.gz NPKQIHPJGGLPMA-LBPRGKRZSA-N 1 0 378.523 2.729 20 0 GFADRO CN(Cc1ccc(Br)cc1F)C(=O)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000638827653 565212946 /nfs/dbraw/zinc/21/29/46/565212946.db2.gz BMKYROFARDXECR-OAHLLOKOSA-N 1 0 395.276 2.981 20 0 GFADRO CN(C[C@H](O)COc1cc(Cl)cc(Cl)c1)C(=O)CC[C@H]1CC[NH2+]C1 ZINC000638828384 565213336 /nfs/dbraw/zinc/21/33/36/565213336.db2.gz SPJCCGMMNPEMNK-WFASDCNBSA-N 1 0 375.296 2.581 20 0 GFADRO [NH3+]C[C@@H](C(=O)N1CCN(c2ccc(Br)cc2)CC1)c1ccccc1 ZINC000659357007 565214088 /nfs/dbraw/zinc/21/40/88/565214088.db2.gz CUHMBHXJDHDSSO-GOSISDBHSA-N 1 0 388.309 2.840 20 0 GFADRO CC(C)([NH3+])c1cc(C(=O)N[C@@H]2[C@H]3Cc4c(cccc4Br)[C@@H]23)on1 ZINC000638833148 565214220 /nfs/dbraw/zinc/21/42/20/565214220.db2.gz VWBICGWQZZGJST-COLVAYQJSA-N 1 0 376.254 2.699 20 0 GFADRO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)c2cc(Br)cn2C)cc1 ZINC000659353422 565214301 /nfs/dbraw/zinc/21/43/01/565214301.db2.gz CFZYTVIOMZJNRO-HOTGVXAUSA-N 1 0 392.297 2.672 20 0 GFADRO C[C@@H](CC(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1)n1cc(Br)cn1 ZINC000659364631 565214637 /nfs/dbraw/zinc/21/46/37/565214637.db2.gz RFAPAAIXHRUIMY-LRDDRELGSA-N 1 0 393.285 2.896 20 0 GFADRO Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]Cc1ccc(S(N)(=O)=O)s1)CC3 ZINC000638915395 565217998 /nfs/dbraw/zinc/21/79/98/565217998.db2.gz PZMWREMCXWDWSJ-GFCCVEGCSA-N 1 0 375.519 2.832 20 0 GFADRO O=C(c1ccc(COc2ccc(Br)cc2)o1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638911991 565218248 /nfs/dbraw/zinc/21/82/48/565218248.db2.gz FTYFIVXVZYQHNK-STQMWFEESA-N 1 0 377.238 2.807 20 0 GFADRO O=C(N[C@H]1[C@@H]2Cc3cc(Br)ccc3[C@@H]21)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000638943422 565218851 /nfs/dbraw/zinc/21/88/51/565218851.db2.gz SZXFXDBUEYNBLC-PNKHAZJDSA-N 1 0 375.310 2.839 20 0 GFADRO [NH3+]C[C@H]1CC[C@H](NC(=O)CCNC(=O)Nc2ccc(Br)cc2)CC1 ZINC000638948300 565219025 /nfs/dbraw/zinc/21/90/25/565219025.db2.gz SWCACKBWMHTNEU-MQMHXKEQSA-N 1 0 397.317 2.594 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)c1ccc(Br)cc1-n1cncn1 ZINC000617011636 565219015 /nfs/dbraw/zinc/21/90/15/565219015.db2.gz JJRZBMMFKREVDU-ZDUSSCGKSA-N 1 0 392.301 2.632 20 0 GFADRO [NH3+]C[C@H]1CC[C@H](NC(=O)[C@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)CC1 ZINC000638948824 565219184 /nfs/dbraw/zinc/21/91/84/565219184.db2.gz ZHTUPEGUJMJQDM-MRVWCRGKSA-N 1 0 384.307 2.980 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(Br)cc1-n1cncn1 ZINC000617011635 565219454 /nfs/dbraw/zinc/21/94/54/565219454.db2.gz JJRZBMMFKREVDU-CYBMUJFWSA-N 1 0 392.301 2.632 20 0 GFADRO C[C@@H](NC(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1)c1ncc(Br)cn1 ZINC000659495861 565219485 /nfs/dbraw/zinc/21/94/85/565219485.db2.gz IQVUZLUSMCSZJK-TZMCWYRMSA-N 1 0 396.333 2.721 20 0 GFADRO O=C(NCCC1CC[NH2+]CC1)N1CCN(c2ccc(Br)cc2)CC1 ZINC000659560872 565220391 /nfs/dbraw/zinc/22/03/91/565220391.db2.gz CJCMNEYXYZIXFT-UHFFFAOYSA-N 1 0 395.345 2.670 20 0 GFADRO CC[C@H](Cc1ccc(Br)cc1)NC(=O)NC[C@@]1(COC)CCC[NH2+]1 ZINC000659542389 565220452 /nfs/dbraw/zinc/22/04/52/565220452.db2.gz NSVJXFQFNRZSQV-SJLPKXTDSA-N 1 0 398.345 2.838 20 0 GFADRO O=C(NCCC1=CC[NH2+]CC1)N1CCOC[C@H]1c1ccc(Br)cc1 ZINC000659540041 565220581 /nfs/dbraw/zinc/22/05/81/565220581.db2.gz SUZBDURZSIXYHF-KRWDZBQOSA-N 1 0 394.313 2.842 20 0 GFADRO Cc1[nH]c(=O)c(C(=O)N2C[C@@H](C[NH3+])Cc3ccccc32)cc1Br ZINC000639022804 565220850 /nfs/dbraw/zinc/22/08/50/565220850.db2.gz IVDDEYVLIAIQBI-LLVKDONJSA-N 1 0 376.254 2.636 20 0 GFADRO O=C(c1cc(=O)c2cc(Br)ccc2[nH]1)N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000639026066 565220914 /nfs/dbraw/zinc/22/09/14/565220914.db2.gz XDMCYOOYCQPGKB-ZBEGNZNMSA-N 1 0 390.281 2.505 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)N[C@H]2CCCCc3cc(Br)ccc32)CCCO1 ZINC000659627757 565221345 /nfs/dbraw/zinc/22/13/45/565221345.db2.gz ISBLIOPVJVKWEU-WBVHZDCISA-N 1 0 396.329 2.976 20 0 GFADRO O=C(Cc1ccccc1Br)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000617112866 565221338 /nfs/dbraw/zinc/22/13/38/565221338.db2.gz MRIOEDYNZPQSDM-UHFFFAOYSA-N 1 0 395.341 2.999 20 0 GFADRO CC(C)[C@H]([NH3+])CCNC(=O)N1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000659623641 565221563 /nfs/dbraw/zinc/22/15/63/565221563.db2.gz HQAVTFCYQAYXIL-CVEARBPZSA-N 1 0 384.318 2.905 20 0 GFADRO Cc1c(C(=O)NCc2ccc(C)c(Br)c2)nnn1C1CC[NH2+]CC1 ZINC000639035306 565221853 /nfs/dbraw/zinc/22/18/53/565221853.db2.gz CDINWRQOVKLGGG-UHFFFAOYSA-N 1 0 392.301 2.512 20 0 GFADRO CC1([NH3+])CCN(C(=O)Nc2ccc(F)cc2I)CC1 ZINC000591288409 565221968 /nfs/dbraw/zinc/22/19/68/565221968.db2.gz FNOVUURVSNOYOX-UHFFFAOYSA-N 1 0 377.201 2.775 20 0 GFADRO COC(=O)c1cc(NC(=O)NC2CCC([NH3+])CC2)c(Br)cc1F ZINC000591287495 565222013 /nfs/dbraw/zinc/22/20/13/565222013.db2.gz LSQSTLJRIYGOIP-UHFFFAOYSA-N 1 0 388.237 2.766 20 0 GFADRO C[C@H](C[C@H]1CCCC(=O)N1)[NH2+]C[C@@H](CO)Cc1ccc(Br)cc1 ZINC000639103900 565224760 /nfs/dbraw/zinc/22/47/60/565224760.db2.gz JMSPOIDJBSDQAS-UKPHBRMFSA-N 1 0 383.330 2.637 20 0 GFADRO Ic1cccc(OCCCN2CC[C@@H]3CC[NH2+][C@H]3C2)c1 ZINC000591448515 565230658 /nfs/dbraw/zinc/23/06/58/565230658.db2.gz JVLMRLVRZNFUEH-BBRMVZONSA-N 1 0 386.277 2.744 20 0 GFADRO OC[C@@]1(C[NH2+]Cc2cnn3cc(Br)cnc23)C[C@@H]1c1ccccc1 ZINC000639191745 565231866 /nfs/dbraw/zinc/23/18/66/565231866.db2.gz YNXCIIQOBVRNIZ-AEFFLSMTSA-N 1 0 387.281 2.748 20 0 GFADRO COc1nsc(C[NH2+][C@H]2CC[C@@](O)(C(F)(F)F)C2)c1Br ZINC000639202053 565231890 /nfs/dbraw/zinc/23/18/90/565231890.db2.gz RJYKUNQJAGRCSC-WKEGUHRASA-N 1 0 375.210 2.850 20 0 GFADRO C[N@H+](Cc1ccc(S(N)(=O)=O)c(Cl)c1)[C@H](CO)c1ccc(Cl)cc1 ZINC000639225796 565233073 /nfs/dbraw/zinc/23/30/73/565233073.db2.gz SACSDUZOSVWNMH-OAHLLOKOSA-N 1 0 389.304 2.806 20 0 GFADRO C[C@@H](CNC(=O)N(C)CCOc1ccc(Br)cc1)[N@H+](C)C1CC1 ZINC000591615496 565233971 /nfs/dbraw/zinc/23/39/71/565233971.db2.gz LXMAHMIRCVFHON-ZDUSSCGKSA-N 1 0 384.318 2.952 20 0 GFADRO F[C@@H]1C[NH2+][C@H](CN[C@H]2CCCOc3ccc(I)cc32)C1 ZINC000591581171 565234128 /nfs/dbraw/zinc/23/41/28/565234128.db2.gz MIOIRPIKWWXFQT-JKOKRWQUSA-N 1 0 390.240 2.795 20 0 GFADRO Fc1ccccc1N1CC[C@@H]([NH2+]Cc2cnn3cc(Br)cnc23)C1 ZINC000639223330 565234147 /nfs/dbraw/zinc/23/41/47/565234147.db2.gz PECKMFAGUHWYMY-CQSZACIVSA-N 1 0 390.260 2.999 20 0 GFADRO COc1ccc(Br)cc1C[C@@H](CO)C[NH2+]C1CC(n2cccn2)C1 ZINC000639237713 565234937 /nfs/dbraw/zinc/23/49/37/565234937.db2.gz MANLWGMEWVOCIT-NVPAJSRCSA-N 1 0 394.313 2.799 20 0 GFADRO Cc1c(Br)cccc1C[C@H](CO)C[NH2+]CCCc1cnn(C)c1 ZINC000639238225 565235337 /nfs/dbraw/zinc/23/53/37/565235337.db2.gz RAPKASBJIHRONE-INIZCTEOSA-N 1 0 380.330 2.864 20 0 GFADRO C[NH+](C)CCN(Cc1ccsc1)Cc1ccc(Cl)c(S(N)(=O)=O)c1 ZINC000639259064 565235753 /nfs/dbraw/zinc/23/57/53/565235753.db2.gz JMOLZZJUIDHYLN-UHFFFAOYSA-N 1 0 387.958 2.613 20 0 GFADRO COC(=O)c1cc(NC(=O)[C@@H]2C[NH2+]CCC2(F)F)cc(Br)c1F ZINC000591685709 565236139 /nfs/dbraw/zinc/23/61/39/565236139.db2.gz MHOXYAVPANYPPZ-VIFPVBQESA-N 1 0 395.175 2.558 20 0 GFADRO CN1CC[C@@H]([NH2+]CCN2CCCC2=O)C[C@H]1c1ccc(Br)cc1 ZINC000639293618 565238199 /nfs/dbraw/zinc/23/81/99/565238199.db2.gz FIWOLFMQRSXCLW-SJORKVTESA-N 1 0 380.330 2.796 20 0 GFADRO C[N@@H+]1CCC[C@@H]2CN(CC(=O)c3c[nH]c4ncc(Br)cc34)CC[C@@H]21 ZINC000660013425 565239264 /nfs/dbraw/zinc/23/92/64/565239264.db2.gz XKONMROJXOUSOF-WBMJQRKESA-N 1 0 391.313 2.924 20 0 GFADRO CCC[N@@H+]1CC[C@H](NS(=O)(=O)c2cc(Cl)ccc2O[C@H](C)COC)C1 ZINC000660026378 565240546 /nfs/dbraw/zinc/24/05/46/565240546.db2.gz FYOWGXBIZYWCNI-HIFRSBDPSA-N 1 0 390.933 2.516 20 0 GFADRO CC1([NH+]2CCCC2)CCN(Cc2cnn3cc(Br)cnc23)CC1 ZINC000639375052 565242522 /nfs/dbraw/zinc/24/25/22/565242522.db2.gz OOYWACPPXBMUOX-UHFFFAOYSA-N 1 0 378.318 2.942 20 0 GFADRO Cc1cc(C(=O)N[C@@H](C)CN(C)CCC[NH+](C)C)c(Br)s1 ZINC000617506207 565244178 /nfs/dbraw/zinc/24/41/78/565244178.db2.gz FOCCCDZGVQJSGR-NSHDSACASA-N 1 0 376.364 2.821 20 0 GFADRO COc1nsc(CNc2cnn(C3CC[NH+](C)CC3)c2)c1Br ZINC000639397810 565244545 /nfs/dbraw/zinc/24/45/45/565244545.db2.gz XAGOLDWBNIRIPD-UHFFFAOYSA-N 1 0 386.319 2.990 20 0 GFADRO CCN(C(=O)c1cnn(-c2ccc(Br)cc2)c1)[C@H]1CC[N@H+](C)C1 ZINC000617557770 565246616 /nfs/dbraw/zinc/24/66/16/565246616.db2.gz SOXKGDGVWAVOSG-INIZCTEOSA-N 1 0 377.286 2.801 20 0 GFADRO O=C1C[C@H]([C@@H]2CCCC[N@H+]2C[C@@H](O)COc2cc(Cl)cc(Cl)c2)CN1 ZINC000639552560 565249961 /nfs/dbraw/zinc/24/99/61/565249961.db2.gz BCCAGAXMSGFEIW-MJEQTWJJSA-N 1 0 387.307 2.724 20 0 GFADRO O=C(NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1c(Cl)cncc1Cl ZINC000617705261 565251686 /nfs/dbraw/zinc/25/16/86/565251686.db2.gz QUYZWJNWMDFGTG-CQSZACIVSA-N 1 0 380.275 2.885 20 0 GFADRO Cc1cc(Br)oc1C(=O)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000617699348 565251747 /nfs/dbraw/zinc/25/17/47/565251747.db2.gz KZPOHZDRCJPGRQ-OAHLLOKOSA-N 1 0 393.281 2.847 20 0 GFADRO CN1CCC2(CC[NH+](C[C@@H](O)COc3cc(Cl)cc(Cl)c3)CC2)C1=O ZINC000639614795 565252387 /nfs/dbraw/zinc/25/23/87/565252387.db2.gz OYNYAJNMSKPDRS-OAHLLOKOSA-N 1 0 387.307 2.677 20 0 GFADRO CCN(CC(F)(F)F)C(=O)C[NH2+][C@@H](C)c1ccc(S(=O)(=O)CC)cc1 ZINC000639632949 565252550 /nfs/dbraw/zinc/25/25/50/565252550.db2.gz KTPWYELRPBLEPA-LBPRGKRZSA-N 1 0 380.432 2.542 20 0 GFADRO COc1ncc(Br)cc1CN1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000660115991 565254652 /nfs/dbraw/zinc/25/46/52/565254652.db2.gz FXFUITCQZWINQA-HRCADAONSA-N 1 0 384.318 2.536 20 0 GFADRO COCC[N@@H+]1CCC[C@H](NC(=O)c2cc3cc(Br)ccc3[nH]2)C1 ZINC000592099472 565255808 /nfs/dbraw/zinc/25/58/08/565255808.db2.gz OYVWZXIFOBBTLL-AWEZNQCLSA-N 1 0 380.286 2.771 20 0 GFADRO COCC[N@@H+]1CCC[C@H](NC(=O)CCOc2ccc(C)cc2Br)C1 ZINC000592094740 565256142 /nfs/dbraw/zinc/25/61/42/565256142.db2.gz GZJDYCNCAQYGBW-HNNXBMFYSA-N 1 0 399.329 2.753 20 0 GFADRO C[C@H](CCNC(=O)[C@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)c(Cl)c1)[NH+](C)C ZINC000617758087 565257482 /nfs/dbraw/zinc/25/74/82/565257482.db2.gz HTVUQOVAPPYHRW-ZUCKAHLUSA-N 1 0 386.323 2.969 20 0 GFADRO CN(CCC[NH+](C)C)CCNC(=O)c1c[nH]c2cccc(Br)c12 ZINC000617765651 565258402 /nfs/dbraw/zinc/25/84/02/565258402.db2.gz KYGUVYJVRHEGAY-UHFFFAOYSA-N 1 0 381.318 2.544 20 0 GFADRO C[NH+](C)CCC[C@H]1CN(S(=O)(=O)Cc2c(Cl)cccc2Cl)CCO1 ZINC000660155955 565260484 /nfs/dbraw/zinc/26/04/84/565260484.db2.gz FLPADZBQNGBLMV-ZDUSSCGKSA-N 1 0 395.352 2.866 20 0 GFADRO C[C@@H](C[NH+](C)C)[C@H]1CCCCN1C(=O)Nc1cc(Br)cn(C)c1=O ZINC000639786353 565261467 /nfs/dbraw/zinc/26/14/67/565261467.db2.gz JJSBAPOQCSUTOA-SWLSCSKDSA-N 1 0 399.333 2.732 20 0 GFADRO CO[C@@H]1CCC[C@H]([C@H](CO)[NH2+]C[C@H](O)COc2cc(Cl)cc(Cl)c2)C1 ZINC000639784572 565261550 /nfs/dbraw/zinc/26/15/50/565261550.db2.gz JEGYBGQGLDAUIU-PTOXDTDZSA-N 1 0 392.323 2.889 20 0 GFADRO [NH3+]C1(CC(=O)NCc2cc(Cl)cc(I)c2)CCC1 ZINC000592255567 565264449 /nfs/dbraw/zinc/26/44/49/565264449.db2.gz RUCQBDGPIQRUJT-UHFFFAOYSA-N 1 0 378.641 2.832 20 0 GFADRO COC(=O)C1(CNC(=O)[C@](C)([NH3+])c2ccc(Br)cc2)CCCCC1 ZINC000592277326 565266269 /nfs/dbraw/zinc/26/62/69/565266269.db2.gz PVRXSFFIRBMFPP-QGZVFWFLSA-N 1 0 397.313 2.863 20 0 GFADRO C[N@@H+](Cc1ccc(Br)cc1F)C[C@@H](O)COC[C@H]1CCCO1 ZINC000639922501 565268206 /nfs/dbraw/zinc/26/82/06/565268206.db2.gz YDEICTJILRHSQX-HUUCEWRRSA-N 1 0 376.266 2.577 20 0 GFADRO CCC[C@H]1C[NH2+]CCN1C(=O)c1cc(F)ccc1I ZINC000592318073 565269240 /nfs/dbraw/zinc/26/92/40/565269240.db2.gz KRGARXWXDOYSCE-NSHDSACASA-N 1 0 376.213 2.644 20 0 GFADRO C[C@@H]([NH3+])[C@H](C)NC(=O)c1cc(I)cc(C(F)(F)F)c1 ZINC000592339806 565269946 /nfs/dbraw/zinc/26/99/46/565269946.db2.gz AGBAGNGKJWBPRH-RQJHMYQMSA-N 1 0 386.155 2.776 20 0 GFADRO CC[C@@H]1CN(C(=O)c2cc(F)c(F)cc2I)CC[C@H]1[NH3+] ZINC000592332892 565270411 /nfs/dbraw/zinc/27/04/11/565270411.db2.gz RDCJGJQHBGTKED-AMIZOPFISA-N 1 0 394.203 2.769 20 0 GFADRO O=C(CCc1nc([C@@H]2CCC[NH2+]2)no1)c1ccc(I)cc1 ZINC000592357417 565271468 /nfs/dbraw/zinc/27/14/68/565271468.db2.gz BKQPDMVRLFJPFN-LBPRGKRZSA-N 1 0 397.216 2.914 20 0 GFADRO CCC1([NH+]2CCCC2)CCN(Cc2ccc(S(=O)(=O)N(C)C)s2)CC1 ZINC000639987226 565272942 /nfs/dbraw/zinc/27/29/42/565272942.db2.gz ZDRDXJZWKDUZOB-UHFFFAOYSA-N 1 0 385.599 2.839 20 0 GFADRO CC(C)CNC(=O)CCC[N@H+](CCO)Cc1cc(Br)cs1 ZINC000660411755 565273914 /nfs/dbraw/zinc/27/39/14/565273914.db2.gz WTOUABMDEVQXDZ-UHFFFAOYSA-N 1 0 377.348 2.857 20 0 GFADRO OCCC1(CCO)CC[NH+](C[C@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000640013150 565274213 /nfs/dbraw/zinc/27/42/13/565274213.db2.gz AHLYUHUGBORIHI-HNNXBMFYSA-N 1 0 392.323 2.580 20 0 GFADRO O=C(CCOc1cccc(Cl)c1Cl)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000592410753 565275165 /nfs/dbraw/zinc/27/51/65/565275165.db2.gz LSPOABRCRXDFIN-LSDHHAIUSA-N 1 0 387.307 2.820 20 0 GFADRO CC(C)(C(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1)c1cccc(Br)c1 ZINC000592411669 565275495 /nfs/dbraw/zinc/27/54/95/565275495.db2.gz ZZRRUYLGJFTCHB-DLBZAZTESA-N 1 0 395.341 2.784 20 0 GFADRO Fc1ccc(I)c(F)c1CN1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000592432514 565276718 /nfs/dbraw/zinc/27/67/18/565276718.db2.gz OALQVQZEXCYLOX-TVQRCGJNSA-N 1 0 378.204 2.753 20 0 GFADRO CCC[N@H+](C)CC(=O)NCC1(c2cccc(Br)c2)CCOCC1 ZINC000592439745 565276727 /nfs/dbraw/zinc/27/67/27/565276727.db2.gz GRICZULUEWOIHE-UHFFFAOYSA-N 1 0 383.330 2.955 20 0 GFADRO C[N@H+](CC(=O)N1CCN(c2ccc(Br)cc2)CC1)[C@H]1CCSC1 ZINC000618180986 565278159 /nfs/dbraw/zinc/27/81/59/565278159.db2.gz WHSDEJHGZRXGEN-INIZCTEOSA-N 1 0 398.370 2.535 20 0 GFADRO O=C(Cc1cccc(I)c1)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000592568916 565282191 /nfs/dbraw/zinc/28/21/91/565282191.db2.gz QKYIBWUPIXCKKT-CQSZACIVSA-N 1 0 384.261 2.625 20 0 GFADRO Cc1cc(Br)c(O)c(NC(=O)c2cnn3c2[C@@H](C[NH3+])CCC3)c1 ZINC000592561687 565282426 /nfs/dbraw/zinc/28/24/26/565282426.db2.gz HVIMQBVHXPJNQG-SNVBAGLBSA-N 1 0 379.258 2.748 20 0 GFADRO CC[NH+]1CCN(CCC(=O)N(C)[C@@H](CO)c2cccc(Cl)c2Cl)CC1 ZINC000618340736 565290957 /nfs/dbraw/zinc/29/09/57/565290957.db2.gz UIEOGMVYTZRIKV-INIZCTEOSA-N 1 0 388.339 2.513 20 0 GFADRO CC[NH+]1CCC(N2CCCN(Cc3nnc(C(F)(F)F)s3)CC2)CC1 ZINC000660834887 565295395 /nfs/dbraw/zinc/29/53/95/565295395.db2.gz RFLYOAKWPVBRPQ-UHFFFAOYSA-N 1 0 377.480 2.549 20 0 GFADRO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)Nc1nn(CC(F)(F)F)cc1Cl ZINC000640297986 565295974 /nfs/dbraw/zinc/29/59/74/565295974.db2.gz ARLYEUAKGPCBIB-NSHDSACASA-N 1 0 381.830 3.341 20 0 GFADRO Cn1cc(Br)c(NC(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)n1 ZINC000640328494 565302891 /nfs/dbraw/zinc/30/28/91/565302891.db2.gz YAHRHNYTDCWDOJ-AWEZNQCLSA-N 1 0 398.349 3.303 20 0 GFADRO Cc1cccc(CNC(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)c1Br ZINC000661055029 565303577 /nfs/dbraw/zinc/30/35/77/565303577.db2.gz CIZBJFBHZKDSTR-INIZCTEOSA-N 1 0 396.329 2.810 20 0 GFADRO Cc1nc(C(=O)N2CCCN(c3cc[nH+]cc3)CC2)c(Br)s1 ZINC000640443943 565310675 /nfs/dbraw/zinc/31/06/75/565310675.db2.gz RYPIHBZAIPWQNQ-UHFFFAOYSA-N 1 0 381.299 2.962 20 0 GFADRO COC[C@H]([NH2+]C[C@@H](O)COc1ccc(Cl)c(Cl)c1)C1CCOCC1 ZINC000661159492 565311819 /nfs/dbraw/zinc/31/18/19/565311819.db2.gz GHJRNTQKUFKOHN-DYVFJYSZSA-N 1 0 378.296 2.764 20 0 GFADRO CO[C@@H]1CCC[C@H]([C@H](CO)[NH2+]CC(=O)Nc2ccc(Br)c(C)c2)C1 ZINC000661223328 565315187 /nfs/dbraw/zinc/31/51/87/565315187.db2.gz YLLFDVAJDKFKPJ-LXZKKBNFSA-N 1 0 399.329 2.852 20 0 GFADRO C[C@@H](NC(=O)N[C@@H](C)C[NH+]1CCC(C)CC1)c1ncc(Br)cn1 ZINC000661237478 565315404 /nfs/dbraw/zinc/31/54/04/565315404.db2.gz XMMFRBMBSMELKY-QWHCGFSZSA-N 1 0 384.322 2.720 20 0 GFADRO Cc1cc(NC(=O)Cn2cc(C[C@@H]3CCC[NH2+]C3)nn2)ccc1Br ZINC000640759038 565324741 /nfs/dbraw/zinc/32/47/41/565324741.db2.gz BWOKHHMOKIDAJG-ZDUSSCGKSA-N 1 0 392.301 2.530 20 0 GFADRO [NH3+][C@@H](c1cn(CC(=O)Nc2cc(Cl)ccc2Cl)nn1)C1CCOCC1 ZINC000640759545 565325832 /nfs/dbraw/zinc/32/58/32/565325832.db2.gz VNBDANNFMOEYPN-MRXNPFEDSA-N 1 0 384.267 2.650 20 0 GFADRO C[C@H](NC(=O)Cn1cc(C[C@@H]2CC[NH2+]C2)nn1)c1ccc(Cl)c(Cl)c1 ZINC000640848077 565330808 /nfs/dbraw/zinc/33/08/08/565330808.db2.gz NDDMQCGLACCBOB-RYUDHWBXSA-N 1 0 382.295 2.614 20 0 GFADRO [NH3+][C@@H](c1cn(Cc2cc(Br)cc3cccnc32)nn1)[C@@H]1CCCO1 ZINC000640949306 565338361 /nfs/dbraw/zinc/33/83/61/565338361.db2.gz JIOBOUUVGDPRBI-HOTGVXAUSA-N 1 0 388.269 2.816 20 0 GFADRO C[C@H](CCc1ccc(I)cc1)[NH2+]Cc1nnnn1C1CC1 ZINC000619427428 565340199 /nfs/dbraw/zinc/34/01/99/565340199.db2.gz GAWTYAFLJZUOEI-LLVKDONJSA-N 1 0 397.264 2.724 20 0 GFADRO CC[C@@](C)([NH3+])c1cn(Cc2nc(-c3ccc(Br)s3)no2)nn1 ZINC000641048284 565343236 /nfs/dbraw/zinc/34/32/36/565343236.db2.gz DOFDGEPBVQYKIY-CYBMUJFWSA-N 1 0 383.275 2.784 20 0 GFADRO CCC[C@H]([NH3+])c1cn(Cc2noc(Cc3ccc(Br)cc3)n2)nn1 ZINC000641044326 565343476 /nfs/dbraw/zinc/34/34/76/565343476.db2.gz YQFLVTYUYPMERW-ZDUSSCGKSA-N 1 0 391.273 2.863 20 0 GFADRO COC[C@H]([NH3+])Cc1cn(CCSc2ccnc3cc(Cl)ccc32)nn1 ZINC000641105700 565345729 /nfs/dbraw/zinc/34/57/29/565345729.db2.gz XNDVGSUDMODRII-CYBMUJFWSA-N 1 0 377.901 2.788 20 0 GFADRO CC[C@H]([NH2+]C[C@@H](CO)[C@H]1CCOC1)c1ccc(I)cc1 ZINC000619508777 565346229 /nfs/dbraw/zinc/34/62/29/565346229.db2.gz HAJMLKUXJMDTDM-DZKIICNBSA-N 1 0 389.277 2.977 20 0 GFADRO CC(C)(C)N1CC[C@H](n2cc([C@H]([NH3+])c3ccc(Br)cc3)nn2)C1=O ZINC000641107428 565346202 /nfs/dbraw/zinc/34/62/02/565346202.db2.gz SEZPSEPIIVZKPB-LSDHHAIUSA-N 1 0 392.301 2.661 20 0 GFADRO [NH3+]C1CCN(CCc2cn(Cc3ccc(Cl)c(Br)c3)nn2)CC1 ZINC000641126515 565348339 /nfs/dbraw/zinc/34/83/39/565348339.db2.gz ZVXMANUURJMJQH-UHFFFAOYSA-N 1 0 398.736 2.708 20 0 GFADRO CC[C@H]1C[N@H+](C)CCCN1C(=O)Cc1cccc(I)c1 ZINC000619567123 565349548 /nfs/dbraw/zinc/34/95/48/565349548.db2.gz QMVOMWHLMTVXHV-HNNXBMFYSA-N 1 0 386.277 2.776 20 0 GFADRO [NH3+][C@H](c1cn(C[C@H](O)COCc2cccs2)nn1)c1ccc(Cl)cc1 ZINC000641196962 565353288 /nfs/dbraw/zinc/35/32/88/565353288.db2.gz CTIKVIKJTRSHEG-YOEHRIQHSA-N 1 0 378.885 2.619 20 0 GFADRO CCCN(C)CC(C)(C)[NH2+]CCS(=O)(=O)c1ccc(Br)cc1 ZINC000662173640 565353272 /nfs/dbraw/zinc/35/32/72/565353272.db2.gz MTCZUSZGIWYUEG-UHFFFAOYSA-N 1 0 391.375 2.933 20 0 GFADRO O[C@@H](COc1cccc(Br)c1)Cn1cc(C[NH2+]C2CCCC2)nn1 ZINC000641195435 565353355 /nfs/dbraw/zinc/35/33/55/565353355.db2.gz BAEZVPHBKJXTTQ-MRXNPFEDSA-N 1 0 395.301 2.513 20 0 GFADRO O[C@H](COc1ccc(Cl)cc1Cl)Cn1cc(C[C@H]2CCC[NH2+]C2)nn1 ZINC000641196802 565353622 /nfs/dbraw/zinc/35/36/22/565353622.db2.gz SMWHLXFISMPJOU-DOMZBBRYSA-N 1 0 385.295 2.567 20 0 GFADRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N1CCc2[nH]c3c(cccc3Br)c2C1 ZINC000641247918 565355782 /nfs/dbraw/zinc/35/57/82/565355782.db2.gz NIRLGCRJTSTYBE-IAQYHMDHSA-N 1 0 391.313 2.996 20 0 GFADRO C[C@@H](Cn1cncn1)[NH2+]Cc1ccc(I)cc1Cl ZINC000619715217 565355953 /nfs/dbraw/zinc/35/59/53/565355953.db2.gz FMAUIGMHWRDBHB-VIFPVBQESA-N 1 0 376.629 2.714 20 0 GFADRO NC(=O)[C@H](c1cccc(Br)c1)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662291557 565359004 /nfs/dbraw/zinc/35/90/04/565359004.db2.gz IBAALLXRPFBUMO-RDJZCZTQSA-N 1 0 380.330 2.687 20 0 GFADRO C[NH2+]C[C@@](C)(O)CN1CCc2cc(Br)c(Br)cc2C1 ZINC000662316638 565360198 /nfs/dbraw/zinc/36/01/98/565360198.db2.gz KXAVIJVIVQEFMG-CQSZACIVSA-N 1 0 392.135 2.540 20 0 GFADRO C[NH+](C)CCC[C@H]1CN(C[C@@H](O)COc2cc(Cl)ccc2Cl)CCO1 ZINC000662321196 565360347 /nfs/dbraw/zinc/36/03/47/565360347.db2.gz ZHAVIPXFEKTWCS-CVEARBPZSA-N 1 0 391.339 2.776 20 0 GFADRO CCC[N@@H+]1CC[C@@H](NC(=O)c2cnn(-c3cccc(Br)c3)c2)C1 ZINC000619897936 565362386 /nfs/dbraw/zinc/36/23/86/565362386.db2.gz GOPZDZBMUWTJBB-OAHLLOKOSA-N 1 0 377.286 2.849 20 0 GFADRO O=C(NCc1ccc(Br)cc1Cl)c1cnnn1C1CC[NH2+]CC1 ZINC000662416441 565366036 /nfs/dbraw/zinc/36/60/36/565366036.db2.gz CYBBYRJLLRWVIF-UHFFFAOYSA-N 1 0 398.692 2.549 20 0 GFADRO O=C(NCCc1ccc(I)s1)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000593904545 565367164 /nfs/dbraw/zinc/36/71/64/565367164.db2.gz YUXWNKRIKCELTG-NEPJUHHUSA-N 1 0 390.290 2.542 20 0 GFADRO CC[C@@H]([NH2+]C)C(=O)N1CCC(C(=O)Nc2cccc(Br)c2)CC1 ZINC000662433814 565367178 /nfs/dbraw/zinc/36/71/78/565367178.db2.gz ATVVFSYXEJPJFQ-OAHLLOKOSA-N 1 0 382.302 2.624 20 0 GFADRO CC(C)[C@H]([NH3+])CCN(C)C(=O)[C@@H]1CCO[C@H]1c1cncc(Br)c1 ZINC000662429605 565367291 /nfs/dbraw/zinc/36/72/91/565367291.db2.gz WHKVKEAKANKBPX-OAGGEKHMSA-N 1 0 384.318 2.754 20 0 GFADRO COCC[N@@H+]1CC[C@@H](NC(=O)c2ccccc2SCc2cscn2)C1 ZINC000593909349 565367637 /nfs/dbraw/zinc/36/76/37/565367637.db2.gz WKBWKUPLRJEWMJ-CQSZACIVSA-N 1 0 377.535 2.886 20 0 GFADRO C[C@H]1C[C@H]([NH3+])CCN1C(=O)c1ccc(I)cc1Cl ZINC000593930381 565368809 /nfs/dbraw/zinc/36/88/09/565368809.db2.gz GFKKJQPKVOEIIL-WCBMZHEXSA-N 1 0 378.641 2.896 20 0 GFADRO CC1(C)CC[NH2+][C@H]1C(=O)N1CCN(C(=O)c2cccc(Cl)c2Cl)CC1 ZINC000662483564 565371282 /nfs/dbraw/zinc/37/12/82/565371282.db2.gz MXPBIMRBSAHPQA-HNNXBMFYSA-N 1 0 384.307 2.666 20 0 GFADRO CC[NH+](CC)C[C@@H]1CCN(C(=O)c2sc3c(c2Br)CNC3)C1 ZINC000662481534 565371532 /nfs/dbraw/zinc/37/15/32/565371532.db2.gz IHVZAZJCOYZOQW-NSHDSACASA-N 1 0 386.359 2.918 20 0 GFADRO [NH3+][C@H]1CCc2nc(NC(=O)c3sc4c(c3Br)CNC4)sc2C1 ZINC000662519547 565373490 /nfs/dbraw/zinc/37/34/90/565373490.db2.gz VZLBJSITSYGCBO-LURJTMIESA-N 1 0 399.339 2.639 20 0 GFADRO O=C(c1cc(-c2ccc(Br)cc2)no1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000662522154 565375161 /nfs/dbraw/zinc/37/51/61/565375161.db2.gz VZVSOCZHARVALJ-JSGCOSHPSA-N 1 0 376.254 2.928 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)[C@H](N)c1ccccc1Br)c1ccccc1 ZINC000662522582 565375253 /nfs/dbraw/zinc/37/52/53/565375253.db2.gz AUQDMSZQRLKQKO-DLBZAZTESA-N 1 0 376.298 2.868 20 0 GFADRO [NH3+]CCN(Cc1ccccc1)C(=O)c1sc2c(c1Br)CNC2 ZINC000662552397 565376909 /nfs/dbraw/zinc/37/69/09/565376909.db2.gz JJENRGLFCGQLCV-UHFFFAOYSA-N 1 0 380.311 2.715 20 0 GFADRO CN[C@@H](C(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1)c1cccc(Cl)c1Cl ZINC000662568652 565377475 /nfs/dbraw/zinc/37/74/75/565377475.db2.gz IJBPEOSWDRLXPR-OIISXLGYSA-N 1 0 386.323 2.609 20 0 GFADRO N[C@@H](C(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1)c1ccccc1Br ZINC000662587013 565377918 /nfs/dbraw/zinc/37/79/18/565377918.db2.gz UERRJCNODDCIFZ-RHSMWYFYSA-N 1 0 380.330 2.687 20 0 GFADRO Cc1c(Br)cncc1C(=O)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000662580877 565378569 /nfs/dbraw/zinc/37/85/69/565378569.db2.gz DARNOSFGLSDOBD-ZENOOKHLSA-N 1 0 382.302 2.511 20 0 GFADRO [NH3+]C[C@@H]1OCC[C@@H]1C(=O)NCCCCSc1ccccc1Br ZINC000662591085 565378598 /nfs/dbraw/zinc/37/85/98/565378598.db2.gz VHLVTXVYEMOPKI-JSGCOSHPSA-N 1 0 387.343 2.801 20 0 GFADRO CN(CC(C)(C)[NH3+])C(=O)CCc1nc(-c2cc(Br)cs2)no1 ZINC000662608929 565379948 /nfs/dbraw/zinc/37/99/48/565379948.db2.gz SLNNEIWCIVWTHT-UHFFFAOYSA-N 1 0 387.303 2.689 20 0 GFADRO Cc1cc(Br)c(CNC(=O)[C@]2([NH3+])[C@H]3CCCO[C@H]3C2(C)C)s1 ZINC000662667688 565380723 /nfs/dbraw/zinc/38/07/23/565380723.db2.gz CKPOOTRLGOOEMT-OWRWGESLSA-N 1 0 387.343 2.968 20 0 GFADRO C[C@@H]1CCCN(Cc2csc(NC(=O)[C@]3(C(F)(F)F)CC[NH2+]C3)n2)C1 ZINC000662663521 565381120 /nfs/dbraw/zinc/38/11/20/565381120.db2.gz NUAAYSFLLJUONO-ABAIWWIYSA-N 1 0 376.448 2.856 20 0 GFADRO O=C([C@@H]1C[C@H]1C1CC[NH2+]CC1)N1CCOc2cc(Br)ccc2C1 ZINC000662740268 565382850 /nfs/dbraw/zinc/38/28/50/565382850.db2.gz DWJVUDCGCYVFEG-JKSUJKDBSA-N 1 0 379.298 2.806 20 0 GFADRO O=C(NCC12CC(C1)C[NH2+]2)c1cc(Br)sc1Br ZINC000662720179 565383178 /nfs/dbraw/zinc/38/31/78/565383178.db2.gz VASNRYVREPNUSW-UHFFFAOYSA-N 1 0 380.105 2.755 20 0 GFADRO Cc1ccc2c(c1Br)CN(C(=O)c1c[nH]nc1[C@@H]1CC[NH2+]C1)C2 ZINC000662737747 565383566 /nfs/dbraw/zinc/38/35/66/565383566.db2.gz BPURBRCZUDOOTR-LLVKDONJSA-N 1 0 375.270 2.714 20 0 GFADRO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)c2cc(Br)c[nH]2)cc1F ZINC000662869615 565388745 /nfs/dbraw/zinc/38/87/45/565388745.db2.gz DMYUVCJCWDFKSQ-WFASDCNBSA-N 1 0 396.260 2.800 20 0 GFADRO CC(C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000662927005 565389704 /nfs/dbraw/zinc/38/97/04/565389704.db2.gz YLIKBKHRDTXONP-HUUCEWRRSA-N 1 0 390.286 2.628 20 0 GFADRO Clc1cc(C[NH2+][C@@H]2CCCN(CCN3CCOCC3)C2)c(Cl)s1 ZINC000641787169 565400194 /nfs/dbraw/zinc/40/01/94/565400194.db2.gz PHBLEEWZPRZYCM-CQSZACIVSA-N 1 0 378.369 2.941 20 0 GFADRO CC[C@@H]1CN(C(=O)c2cc(=O)c3cc(Br)ccc3[nH]2)C[C@H](C)[NH2+]1 ZINC000620903536 565401175 /nfs/dbraw/zinc/40/11/75/565401175.db2.gz UHECVLJBTVIUBP-CMPLNLGQSA-N 1 0 378.270 2.503 20 0 GFADRO C[C@@H](Oc1ccc(Br)cc1)C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000620964392 565402068 /nfs/dbraw/zinc/40/20/68/565402068.db2.gz ZHGIYUKCPSALRB-PBHICJAKSA-N 1 0 399.329 2.786 20 0 GFADRO C[NH+](C)CCC[C@@H]1CN(C(=O)CCOc2cccc(Br)c2)CCO1 ZINC000620964337 565402109 /nfs/dbraw/zinc/40/21/09/565402109.db2.gz XXKYVAKMRDJBEY-QGZVFWFLSA-N 1 0 399.329 2.787 20 0 GFADRO COC(=O)C1(C[NH2+]Cc2cn(-c3cccc(Br)c3)nc2C)CC1 ZINC000594614012 565403505 /nfs/dbraw/zinc/40/35/05/565403505.db2.gz XOIVHKDNGRAQCI-UHFFFAOYSA-N 1 0 378.270 2.986 20 0 GFADRO CC[NH+](CC)CCNC(=O)[C@H]1CC(=O)N(c2ccc(Br)c(C)c2)C1 ZINC000642002732 565404153 /nfs/dbraw/zinc/40/41/53/565404153.db2.gz GQHQQBQJFOZZAG-AWEZNQCLSA-N 1 0 396.329 2.568 20 0 GFADRO C[C@H](CNc1cnn(-c2ccc(C(F)(F)F)cn2)c(=O)c1Cl)[NH+](C)C ZINC000642177987 565407944 /nfs/dbraw/zinc/40/79/44/565407944.db2.gz PCPRZQAHEGJHMM-SECBINFHSA-N 1 0 375.782 2.662 20 0 GFADRO CC(C)[C@H]1CN(C(=O)CNC(=O)c2sc3ccccc3c2Cl)CC[NH2+]1 ZINC000621148406 565408311 /nfs/dbraw/zinc/40/83/11/565408311.db2.gz OLQCGWYNHFNLDS-CYBMUJFWSA-N 1 0 379.913 2.741 20 0 GFADRO CN([C@H](C[NH3+])C(F)(F)F)S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000663310520 565411945 /nfs/dbraw/zinc/41/19/45/565411945.db2.gz HTGMDXKPJSJFLV-SECBINFHSA-N 1 0 384.729 2.869 20 0 GFADRO COc1ccc([C@H](CNc2cc(Br)cnn2)[NH+](C)C)cc1OC ZINC000663322677 565413791 /nfs/dbraw/zinc/41/37/91/565413791.db2.gz MDNRXIPWQNTLQP-ZDUSSCGKSA-N 1 0 381.274 2.971 20 0 GFADRO Cc1nc(C)c(Br)c(NCc2ccc(N3CC[NH+](C)CC3)nc2)n1 ZINC000663378529 565416077 /nfs/dbraw/zinc/41/60/77/565416077.db2.gz PQRLWIHVVDZPEJ-UHFFFAOYSA-N 1 0 391.317 2.615 20 0 GFADRO CC[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCSc3ccc(Cl)cc32)CC[C@@H]1[NH3+] ZINC000642692752 565416069 /nfs/dbraw/zinc/41/60/69/565416069.db2.gz YLSQGUOZPQEOQT-BYCMXARLSA-N 1 0 381.929 2.579 20 0 GFADRO CC(C)[C@H](CNc1nc(C2CC2)ncc1Br)N1CC[NH+](C)CC1 ZINC000663375966 565416446 /nfs/dbraw/zinc/41/64/46/565416446.db2.gz FCWWXLQTEVZWBT-HNNXBMFYSA-N 1 0 382.350 2.800 20 0 GFADRO CNS(=O)(=O)CC[N@@H+]1CCC[C@@]1(C)Cc1ccc(OC(F)(F)F)cc1 ZINC000621315682 565419121 /nfs/dbraw/zinc/41/91/21/565419121.db2.gz BKLQTHKOUWXSRU-HNNXBMFYSA-N 1 0 380.432 2.531 20 0 GFADRO O=C(N[C@H]1CCC[NH2+]CC1)C(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000642980047 565419999 /nfs/dbraw/zinc/41/99/99/565419999.db2.gz WKMMMQBILQGTIU-BBRMVZONSA-N 1 0 384.307 2.915 20 0 GFADRO CCOc1cncc(C[NH2+]CCCNS(=O)(=O)c2ccccc2Cl)c1 ZINC000621351271 565421347 /nfs/dbraw/zinc/42/13/47/565421347.db2.gz KZFVUTZOIGKURD-UHFFFAOYSA-N 1 0 383.901 2.592 20 0 GFADRO O=C(NCCSc1ccc(Cl)cc1)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000663485530 565423171 /nfs/dbraw/zinc/42/31/71/565423171.db2.gz ULHKQSYNAYCOIA-INIZCTEOSA-N 1 0 383.945 2.673 20 0 GFADRO O=C(NCc1ccccc1Br)N1CCN(c2cc[nH+]cc2)CC1 ZINC000621420163 565424783 /nfs/dbraw/zinc/42/47/83/565424783.db2.gz YTWJMVPFUXNCNH-UHFFFAOYSA-N 1 0 375.270 2.876 20 0 GFADRO CN(CC1C[NH+](C)C1)C(=O)NCC(F)(F)c1ccc(Br)cc1 ZINC000621505816 565428077 /nfs/dbraw/zinc/42/80/77/565428077.db2.gz JPFJWQQVOINDTJ-UHFFFAOYSA-N 1 0 376.245 2.744 20 0 GFADRO Cc1nc(C)c(Br)c(Sc2nnc([C@@H]3CCC[NH2+]C3)n2C)n1 ZINC000663627171 565428758 /nfs/dbraw/zinc/42/87/58/565428758.db2.gz FGOQOALXMVZPFE-SNVBAGLBSA-N 1 0 383.319 2.603 20 0 GFADRO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)NCc1csc(Br)c1 ZINC000663703911 565431668 /nfs/dbraw/zinc/43/16/68/565431668.db2.gz DDLIAHFHIMRCJV-LBPRGKRZSA-N 1 0 391.379 2.582 20 0 GFADRO [NH3+][C@@]12CCC[C@H]1CN(C(=O)c1ncc(Br)cc1Br)C2 ZINC000621680617 565437359 /nfs/dbraw/zinc/43/73/59/565437359.db2.gz FIHAGIHQFMNTML-ISVAXAHUSA-N 1 0 389.091 2.560 20 0 GFADRO O=C(CC[C@H]1CCC[NH2+]C1)NC[C@H](O)COc1cccc(Cl)c1Cl ZINC000621629651 565433740 /nfs/dbraw/zinc/43/37/40/565433740.db2.gz GNPGSCGDFMMVGK-OLZOCXBDSA-N 1 0 375.296 2.629 20 0 GFADRO C[C@H]1CN(c2nc(C3CC3)ncc2Br)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000663754617 565434175 /nfs/dbraw/zinc/43/41/75/565434175.db2.gz FDGFVRMPFYDKIV-XJKSGUPXSA-N 1 0 394.361 2.579 20 0 GFADRO C[C@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000643488475 565434307 /nfs/dbraw/zinc/43/43/07/565434307.db2.gz ODJAENQFUPBNHF-HSMVNMDESA-N 1 0 384.307 2.723 20 0 GFADRO O=C(CC[C@@H]1CCC[NH2+]C1)N1CCN(Cc2ccc(Br)cc2)CC1 ZINC000621668192 565436241 /nfs/dbraw/zinc/43/62/41/565436241.db2.gz XODQPZAAGIECIH-INIZCTEOSA-N 1 0 394.357 2.873 20 0 GFADRO O[C@@]1(CC[NH2+]Cc2cc(Cl)ccc2I)CCCOC1 ZINC000594950865 565437132 /nfs/dbraw/zinc/43/71/32/565437132.db2.gz UIWROKRDDATGLN-CQSZACIVSA-N 1 0 395.668 2.966 20 0 GFADRO CO[C@@H]1CCC[C@H]([C@@H](CO)[NH2+]Cc2cccc(I)c2)C1 ZINC000594965596 565438142 /nfs/dbraw/zinc/43/81/42/565438142.db2.gz PWCFIMRVMVMSRI-NUEKZKHPSA-N 1 0 389.277 2.947 20 0 GFADRO COc1cc(C[NH2+][C@@H]2CCC[C@@H]([S@@](C)=O)C2)cc(Br)c1O ZINC000594966402 565438927 /nfs/dbraw/zinc/43/89/27/565438927.db2.gz RHOBOFDTRGWYQG-JWCBKOKGSA-N 1 0 376.316 2.943 20 0 GFADRO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)NCc1ccccc1Br ZINC000663856648 565439795 /nfs/dbraw/zinc/43/97/95/565439795.db2.gz ATZZRAOKZAWANC-AWEZNQCLSA-N 1 0 385.350 2.520 20 0 GFADRO CC(C)(C[NH2+]Cc1ccc(I)cc1)[C@]1(O)CCCOC1 ZINC000594997528 565441429 /nfs/dbraw/zinc/44/14/29/565441429.db2.gz YKDFNRLVNLZFGW-INIZCTEOSA-N 1 0 389.277 2.949 20 0 GFADRO C[C@H]1CN(CC[NH2+][C@H]2CCc3ccc(I)cc32)CCO1 ZINC000595011661 565442104 /nfs/dbraw/zinc/44/21/04/565442104.db2.gz KNYWRXQJNVBWGN-LRDDRELGSA-N 1 0 386.277 2.589 20 0 GFADRO CC(C)COC[C@H](O)C[NH2+][C@@H]1CCc2ccc(I)cc21 ZINC000595017249 565442138 /nfs/dbraw/zinc/44/21/38/565442138.db2.gz LAPQUORZQVWWAO-GDBMZVCRSA-N 1 0 389.277 2.902 20 0 GFADRO C[C@@H]1CN(CC[NH2+][C@@H]2CCc3ccc(I)cc32)CCO1 ZINC000595011663 565442328 /nfs/dbraw/zinc/44/23/28/565442328.db2.gz KNYWRXQJNVBWGN-MLGOLLRUSA-N 1 0 386.277 2.589 20 0 GFADRO O[C@@H](C[NH2+][C@H]1CCc2ccc(I)cc21)COCC1CC1 ZINC000595017959 565443196 /nfs/dbraw/zinc/44/31/96/565443196.db2.gz YILNVBHEQLCYOI-HOCLYGCPSA-N 1 0 387.261 2.656 20 0 GFADRO O=C(NCCC[NH2+]C1CC1)NCC(F)(F)c1ccc(Br)cc1 ZINC000621846095 565444090 /nfs/dbraw/zinc/44/40/90/565444090.db2.gz VWVXYUKZJALVTO-UHFFFAOYSA-N 1 0 376.245 2.982 20 0 GFADRO C[NH2+][C@@H]1CCCN(C(=O)NCC(F)(F)c2ccc(Br)cc2)C1 ZINC000621850730 565444478 /nfs/dbraw/zinc/44/44/78/565444478.db2.gz BQRYPHOSAWFCRO-CYBMUJFWSA-N 1 0 376.245 2.934 20 0 GFADRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NCC(F)(F)c1ccc(Br)cc1 ZINC000621847642 565444595 /nfs/dbraw/zinc/44/45/95/565444595.db2.gz GWPHXIOTFMMHTA-MFKMUULPSA-N 1 0 376.245 2.838 20 0 GFADRO CC1CCC([NH+]2CCN(C(=O)c3cc(Br)c[nH]c3=O)CC2)CC1 ZINC000621870588 565445638 /nfs/dbraw/zinc/44/56/38/565445638.db2.gz LTRQMLYXMFIGCK-UHFFFAOYSA-N 1 0 382.302 2.886 20 0 GFADRO CSC[C@@H]([NH2+]C[C@]1(OCCO)CCOC1)c1ccc(C(F)(F)F)cc1 ZINC000595080740 565447226 /nfs/dbraw/zinc/44/72/26/565447226.db2.gz YZTLXGJNMQHLEJ-HZPDHXFCSA-N 1 0 379.444 2.867 20 0 GFADRO CCS(=O)(=O)C1(C[NH2+][C@H](C)c2ccc(I)cc2)CC1 ZINC000595100710 565447896 /nfs/dbraw/zinc/44/78/96/565447896.db2.gz IGPAXFGJTBCGIF-LLVKDONJSA-N 1 0 393.290 2.909 20 0 GFADRO CN(C(=O)c1cc(Br)c[nH]c1=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000621916127 565448743 /nfs/dbraw/zinc/44/87/43/565448743.db2.gz ZLYSHLYFQIBMSW-OAHLLOKOSA-N 1 0 390.281 2.896 20 0 GFADRO C[C@H]1CN(C(=O)c2cscc2C(F)(F)F)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000621936434 565449408 /nfs/dbraw/zinc/44/94/08/565449408.db2.gz FDJZCHFNAGEQOQ-SWLSCSKDSA-N 1 0 375.460 2.865 20 0 GFADRO O[C@@H](CNc1ncnc2cc(F)c(Br)cc21)C[NH+]1CCCCC1 ZINC000664027082 565449539 /nfs/dbraw/zinc/44/95/39/565449539.db2.gz XAOLIEOFIMZTCH-NSHDSACASA-N 1 0 383.265 2.790 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CC[NH2+]C[C@H]1CNc2ccnn2C1 ZINC000595146840 565451280 /nfs/dbraw/zinc/45/12/80/565451280.db2.gz QBUZZUSTHCMZPF-ZDUSSCGKSA-N 1 0 392.301 2.614 20 0 GFADRO Brc1ccc(N2CC[C@@H](C[NH2+]C[C@H]3CNc4ccnn4C3)C2)cc1 ZINC000595153861 565451847 /nfs/dbraw/zinc/45/18/47/565451847.db2.gz PORUYHGGJHZXJE-GJZGRUSLSA-N 1 0 390.329 2.803 20 0 GFADRO [NH3+][C@@]12CCC[C@@H]1CN(S(=O)(=O)c1cccc(Cl)c1Br)C2 ZINC000622014907 565455354 /nfs/dbraw/zinc/45/53/54/565455354.db2.gz MROAGBMXWSKNIL-NOZJJQNGSA-N 1 0 379.707 2.604 20 0 GFADRO C[C@H](CCNC(=O)NCCOc1ncc(C(F)(F)F)cc1Cl)[NH+](C)C ZINC000664213025 565455524 /nfs/dbraw/zinc/45/55/24/565455524.db2.gz MNPMHAPECGXQPC-SNVBAGLBSA-N 1 0 382.814 2.772 20 0 GFADRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)c1ncc(Br)cc1Br ZINC000644065841 565456112 /nfs/dbraw/zinc/45/61/12/565456112.db2.gz KAWKCTUNAXPDEF-KWQFWETISA-N 1 0 391.107 2.854 20 0 GFADRO CC1(C)C[NH2+][C@H]1C(=O)NCc1cc(Br)ccc1Br ZINC000644156357 565461151 /nfs/dbraw/zinc/46/11/51/565461151.db2.gz RNTHNVSUGCEBAD-NSHDSACASA-N 1 0 376.092 2.826 20 0 GFADRO O=C(Nc1ccn(-c2ccc(Cl)cc2Cl)n1)[C@H]1C[NH2+]CCC1(F)F ZINC000644152151 565461483 /nfs/dbraw/zinc/46/14/83/565461483.db2.gz VXFBKJDBEHNAQE-SNVBAGLBSA-N 1 0 375.206 3.362 20 0 GFADRO C[C@H]1CN(C(=O)c2cc3c(cc2Br)OCO3)CC[N@@H+](C2CC2)C1 ZINC000622071036 565461869 /nfs/dbraw/zinc/46/18/69/565461869.db2.gz BASYZOVQWHEQDI-LLVKDONJSA-N 1 0 381.270 2.734 20 0 GFADRO C[C@H](C[NH+]1CCOCC1)C(=O)NCC(F)(F)c1ccc(Br)cc1 ZINC000622207542 565467315 /nfs/dbraw/zinc/46/73/15/565467315.db2.gz KEYBDUSXYWSSKT-GFCCVEGCSA-N 1 0 391.256 2.625 20 0 GFADRO C[N@@H+]1C[C@H]2CCN(S(=O)(=O)c3cc(Cl)c(Br)cc3F)[C@H]2C1 ZINC000644301122 565471451 /nfs/dbraw/zinc/47/14/51/565471451.db2.gz SAIJJKJTFDHINA-PELKAZGASA-N 1 0 397.697 2.566 20 0 GFADRO O=C1CCCCCN1CCC[NH2+]C[C@@H](O)COc1cccc(Br)c1 ZINC000644513777 565478840 /nfs/dbraw/zinc/47/88/40/565478840.db2.gz RWDCRWQHJJMCQI-MRXNPFEDSA-N 1 0 399.329 2.571 20 0 GFADRO C[C@H]1CN(CCNC(=O)N[C@@H]2C[C@H]2c2ccc(Br)cc2)[C@@H](C)CO1 ZINC000664802115 565479787 /nfs/dbraw/zinc/47/97/87/565479787.db2.gz MVJBEBHTEIOJIX-MGBSGCIJSA-N 1 0 396.329 2.713 20 0 GFADRO O[C@H](C[NH2+]CCN1Cc2ccccc2C1)COc1cccc(Br)c1 ZINC000644527622 565480224 /nfs/dbraw/zinc/48/02/24/565480224.db2.gz CSIPMVWWNAJIAZ-GOSISDBHSA-N 1 0 391.309 2.794 20 0 GFADRO O[C@@H](C[NH2+][C@@H]1CCN(c2ccccn2)C1)COc1c(Cl)cccc1Cl ZINC000644608525 565483764 /nfs/dbraw/zinc/48/37/64/565483764.db2.gz WIRWHNKOAGQAAC-KGLIPLIRSA-N 1 0 382.291 2.997 20 0 GFADRO C[C@H](C[C@H]1CCOC1)[NH2+]C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000644593809 565484247 /nfs/dbraw/zinc/48/42/47/565484247.db2.gz LSZSHNFRAOUOAL-JMSVASOKSA-N 1 0 376.266 2.733 20 0 GFADRO C[C@H](NC(=O)Cc1noc2ccc(Br)cc21)C1CC[NH+](C)CC1 ZINC000644637856 565486695 /nfs/dbraw/zinc/48/66/95/565486695.db2.gz UEGMGPZWWCGDMU-NSHDSACASA-N 1 0 380.286 2.979 20 0 GFADRO O=C(CC[NH2+]C[C@H](N1CCOCC1)C(F)(F)F)Nc1cccc(Cl)c1 ZINC000644646257 565487872 /nfs/dbraw/zinc/48/78/72/565487872.db2.gz HEXLXSHYLDUXCO-AWEZNQCLSA-N 1 0 379.810 2.521 20 0 GFADRO O=C(c1nc(C2CC2)ncc1Br)N1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000623055637 565492955 /nfs/dbraw/zinc/49/29/55/565492955.db2.gz YQDRUKSYTZNSHV-ZIAGYGMSSA-N 1 0 379.302 2.863 20 0 GFADRO O=C(c1nc(C2CC2)ncc1Br)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000623064745 565492964 /nfs/dbraw/zinc/49/29/64/565492964.db2.gz FNRJBIHNAPQUSY-KGLIPLIRSA-N 1 0 393.329 2.968 20 0 GFADRO O=C(N[C@H]1C[NH2+]CC[C@H]1c1cccc(F)c1)c1ncc(Br)s1 ZINC000623073091 565493000 /nfs/dbraw/zinc/49/30/00/565493000.db2.gz FTMPDMXCEUBDSD-RYUDHWBXSA-N 1 0 384.274 2.920 20 0 GFADRO C[NH+](C)CCC[C@@H]1CN(Cc2ccc(I)cc2)CCO1 ZINC000595906746 565497771 /nfs/dbraw/zinc/49/77/71/565497771.db2.gz MRKIVHJDCWHMJG-MRXNPFEDSA-N 1 0 388.293 2.834 20 0 GFADRO COC(=O)CSCc1cccc(NC(=O)[C@@]2(C(F)(F)F)CC[NH2+]C2)c1 ZINC000595937133 565500001 /nfs/dbraw/zinc/50/00/01/565500001.db2.gz QKWRDJORMXSAIV-OAHLLOKOSA-N 1 0 376.400 2.573 20 0 GFADRO [NH3+]CC12CC(C1)CN2C(=O)c1ccc(I)cc1Cl ZINC000595942851 565500822 /nfs/dbraw/zinc/50/08/22/565500822.db2.gz KLJRFQPOGSXUNK-UHFFFAOYSA-N 1 0 376.625 2.508 20 0 GFADRO [NH3+]C[C@@H]1CCCn2ncc(C(=O)N3CCc4sc(Br)cc4C3)c21 ZINC000595968838 565502776 /nfs/dbraw/zinc/50/27/76/565502776.db2.gz LVLAGIICAAPCRK-JTQLQIEISA-N 1 0 395.326 2.742 20 0 GFADRO C[N@@H+]1CCC[C@H](NC(=O)NCc2c(F)c(F)c(Br)c(F)c2F)C1 ZINC000644940535 565502855 /nfs/dbraw/zinc/50/28/55/565502855.db2.gz CPOLLLPNNHZJGJ-ZETCQYMHSA-N 1 0 398.198 2.899 20 0 GFADRO CC[C@]1(C(=O)N2Cc3sc(C(=O)OC)c(Br)c3C2)CCC[NH2+]1 ZINC000595988885 565503366 /nfs/dbraw/zinc/50/33/66/565503366.db2.gz FPSPUONSVSDDMF-OAHLLOKOSA-N 1 0 387.299 2.672 20 0 GFADRO O=C(Nc1nc2cc(I)ccc2[nH]1)C1([NH2+]C2CC2)CCC1 ZINC000595981788 565503485 /nfs/dbraw/zinc/50/34/85/565503485.db2.gz QDSCYIMRUQIOMC-UHFFFAOYSA-N 1 0 396.232 2.781 20 0 GFADRO COC(=O)[C@H](NC(=O)C[C@H](C)C1CC[NH2+]CC1)c1ccccc1Br ZINC000595970803 565503600 /nfs/dbraw/zinc/50/36/00/565503600.db2.gz NUQJOSOSDRKHKR-YVEFUNNKSA-N 1 0 397.313 2.805 20 0 GFADRO C[NH2+]C[C@@H](C)NC(=O)C[C@@H](C)CCc1ccc(I)cc1 ZINC000595985137 565503754 /nfs/dbraw/zinc/50/37/54/565503754.db2.gz YFVNNVUXCAGKPG-QWHCGFSZSA-N 1 0 388.293 2.974 20 0 GFADRO COC(=O)[C@@H](NC1CC[NH+]([C@@H]2CCOC2)CC1)c1cccc(Br)c1 ZINC000596046521 565509338 /nfs/dbraw/zinc/50/93/38/565509338.db2.gz KNBGFZSUWHRBRD-SJORKVTESA-N 1 0 397.313 2.506 20 0 GFADRO CCOC(=O)[C@]1(C)CCC[C@@H]1[NH2+][C@@H](C(N)=O)c1ccc(Br)cc1 ZINC000596050155 565510368 /nfs/dbraw/zinc/51/03/68/565510368.db2.gz ISMVFACHLHIUBB-JJRVBVJISA-N 1 0 383.286 2.687 20 0 GFADRO C[C@@H](NC(=O)N1CN(CC[NH+](C)C)C(=O)[C@H]1C)c1ccc(Cl)cc1Cl ZINC000645102567 565512280 /nfs/dbraw/zinc/51/22/80/565512280.db2.gz ACMRMSAEEYYEEN-VXGBXAGGSA-N 1 0 387.311 2.816 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)C[C@H]1CCCC[C@H]1[NH3+] ZINC000645164501 565514389 /nfs/dbraw/zinc/51/43/89/565514389.db2.gz OKHPETIUWNHIQD-TZMCWYRMSA-N 1 0 382.302 2.720 20 0 GFADRO CN(CC[NH+](C)C)C(=O)NCc1cc(Cl)ccc1I ZINC000596672371 565531729 /nfs/dbraw/zinc/53/17/29/565531729.db2.gz ABDMFYMRJPQKAN-UHFFFAOYSA-N 1 0 395.672 2.648 20 0 GFADRO C[C@H]1[C@@H]([NH+](C)C)CCN1c1ncnc2cc(I)sc21 ZINC000596243149 565516372 /nfs/dbraw/zinc/51/63/72/565516372.db2.gz AZBAFRZOBXCVBF-WPRPVWTQSA-N 1 0 388.278 2.825 20 0 GFADRO C[NH+](C)[C@]1(CNC(=O)NCC[C@H]2CSc3ccccc3O2)CCSC1 ZINC000645260651 565518916 /nfs/dbraw/zinc/51/89/16/565518916.db2.gz LWJUMPGSOPEJIJ-KSSFIOAISA-N 1 0 381.567 2.666 20 0 GFADRO Cn1cc(Br)c(C(=O)N2CCC(C[NH+]3CCCCCC3)CC2)n1 ZINC000645279254 565519237 /nfs/dbraw/zinc/51/92/37/565519237.db2.gz FMJBLRWDIGYAES-UHFFFAOYSA-N 1 0 383.334 2.911 20 0 GFADRO NC(=O)c1csc(C[NH2+][C@@]2(CO)CCc3cc(Br)ccc3C2)c1 ZINC000623645121 565523172 /nfs/dbraw/zinc/52/31/72/565523172.db2.gz OUJHMDNNQRHKOH-KRWDZBQOSA-N 1 0 395.322 2.619 20 0 GFADRO CO[C@@H](CS(=O)(=O)N[C@H](c1nccn1C)c1ccc(Cl)cc1)C(C)C ZINC000645444944 565525938 /nfs/dbraw/zinc/52/59/38/565525938.db2.gz KKOPWQGPDXGTJB-HOTGVXAUSA-N 1 0 385.917 2.753 20 0 GFADRO COc1ncc(Br)cc1CNC(=O)NC[C@@H](C)[NH+]1CCC(C)CC1 ZINC000623720953 565526893 /nfs/dbraw/zinc/52/68/93/565526893.db2.gz AVSBPRWPLKOCDT-CYBMUJFWSA-N 1 0 399.333 2.772 20 0 GFADRO C[C@H](CNC(=O)Cc1ccc(Br)c(Br)c1)[NH+](C)C ZINC000666243078 565528179 /nfs/dbraw/zinc/52/81/79/565528179.db2.gz BDLGZGJWAKOHIH-SECBINFHSA-N 1 0 378.108 2.820 20 0 GFADRO O[C@@H]1CCN(CC[NH2+]Cc2csc(-c3cccc(Br)c3)n2)C1 ZINC000623757323 565529289 /nfs/dbraw/zinc/52/92/89/565529289.db2.gz SRVPZEFORSBXML-OAHLLOKOSA-N 1 0 382.327 2.729 20 0 GFADRO COc1ncc(S(=O)(=O)N2CCC[C@H]([NH+]3[C@H](C)CC[C@H]3C)C2)cc1Cl ZINC000645486393 565530524 /nfs/dbraw/zinc/53/05/24/565530524.db2.gz KPDKBELTVDHPKH-MCIONIFRSA-N 1 0 387.933 2.770 20 0 GFADRO Fc1ccc(Br)c(C[NH2+]C[C@@H]2CN(Cc3ccncc3)CCO2)c1 ZINC000623782192 565530812 /nfs/dbraw/zinc/53/08/12/565530812.db2.gz LHDCNHQMAINIKL-QGZVFWFLSA-N 1 0 394.288 2.974 20 0 GFADRO Fc1cc(C[NH2+]C[C@@H]2CN(Cc3ccncc3)CCO2)ccc1Br ZINC000623781115 565530869 /nfs/dbraw/zinc/53/08/69/565530869.db2.gz HNGDSIYKRLEFJJ-MRXNPFEDSA-N 1 0 394.288 2.974 20 0 GFADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)NCc1csc(C(F)(F)F)c1 ZINC000623900722 565534650 /nfs/dbraw/zinc/53/46/50/565534650.db2.gz QSPRCIOFAKKAII-LBPRGKRZSA-N 1 0 378.464 2.592 20 0 GFADRO COc1ncc(Br)cc1CNC(=O)NC[C@H]1[N@H+](C)CCCC1(C)C ZINC000623965831 565537863 /nfs/dbraw/zinc/53/78/63/565537863.db2.gz WPLBHLUTVKFDIS-CQSZACIVSA-N 1 0 399.333 2.772 20 0 GFADRO CC[C@H](CNS(C)(=O)=O)[NH2+][C@@H](C)Cc1ncc(C(F)(F)F)cc1Cl ZINC000623993022 565538782 /nfs/dbraw/zinc/53/87/82/565538782.db2.gz GOMBZNWSNBDAON-GXSJLCMTSA-N 1 0 387.855 2.602 20 0 GFADRO Brc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCN(c3ccc4nncn4n3)C1)CC2 ZINC000624117722 565544081 /nfs/dbraw/zinc/54/40/81/565544081.db2.gz VIIOTZFPBDJTPF-ZBFHGGJFSA-N 1 0 399.296 2.743 20 0 GFADRO CCC(F)(F)CN[C@@H](C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000624148038 565545309 /nfs/dbraw/zinc/54/53/09/565545309.db2.gz STGNZFXSFZYZPF-AWEZNQCLSA-N 1 0 377.501 2.613 20 0 GFADRO C[C@@H]([NH2+]C[C@H]1CN(Cc2ccncc2)CCO1)c1cncc(Br)c1 ZINC000624264053 565549581 /nfs/dbraw/zinc/54/95/81/565549581.db2.gz RNZMVPKGZVBAQQ-KDOFPFPSSA-N 1 0 391.313 2.791 20 0 GFADRO C[C@H](NC(=O)c1cc(Br)c2c(c1)OCCO2)C1CC[NH+](C)CC1 ZINC000624270854 565549915 /nfs/dbraw/zinc/54/99/15/565549915.db2.gz HUVCBOJRIYMLHD-NSHDSACASA-N 1 0 383.286 2.680 20 0 GFADRO Cc1cc(Br)c(F)cc1S(=O)(=O)N(C1CC1)C1CC[NH2+]CC1 ZINC000624352222 565552415 /nfs/dbraw/zinc/55/24/15/565552415.db2.gz NGEUTEZHPOGDJB-UHFFFAOYSA-N 1 0 391.306 2.802 20 0 GFADRO Cc1cc(Br)c(F)cc1S(=O)(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000624356050 565552544 /nfs/dbraw/zinc/55/25/44/565552544.db2.gz NUXNQUHPOGTEAK-MNOVXSKESA-N 1 0 379.295 2.645 20 0 GFADRO Fc1ccc(C[N@@H+]2CC[C@H](Cn3ccnn3)C2)c(I)c1 ZINC000597173733 565553825 /nfs/dbraw/zinc/55/38/25/565553825.db2.gz IFCUQHSBXMIQSY-NSHDSACASA-N 1 0 386.212 2.544 20 0 GFADRO [NH3+]C[C@H]1CN(S(=O)(=O)c2cc3cc(F)ccc3o2)CC[C@H]1C(F)(F)F ZINC000624392236 565554945 /nfs/dbraw/zinc/55/49/45/565554945.db2.gz MGPXNGYXNSRYOY-CMPLNLGQSA-N 1 0 380.363 2.720 20 0 GFADRO [NH3+]C[C@H]1CN(S(=O)(=O)Cc2cc(Cl)ccc2F)CC[C@H]1C(F)(F)F ZINC000624392445 565555880 /nfs/dbraw/zinc/55/58/80/565555880.db2.gz RABQIBWDSKBCFE-CMPLNLGQSA-N 1 0 388.814 2.768 20 0 GFADRO [NH3+]C[C@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)s2)CC[C@H]1C(F)(F)F ZINC000624392675 565556011 /nfs/dbraw/zinc/55/60/11/565556011.db2.gz XBLFCJCDSAOSQR-JGVFFNPUSA-N 1 0 396.378 2.915 20 0 GFADRO CCOC(=O)CC1([NH2+]Cc2cc(Br)cc3c2OCC3)CCOCC1 ZINC000597236180 565556804 /nfs/dbraw/zinc/55/68/04/565556804.db2.gz OHLASBUGDPGMML-UHFFFAOYSA-N 1 0 398.297 2.976 20 0 GFADRO CC[C@@H](Cc1ccc(Br)cc1)[NH2+]C1CCN(CC(=O)OC)CC1 ZINC000597230524 565556816 /nfs/dbraw/zinc/55/68/16/565556816.db2.gz GZRFDPITCXBMGV-INIZCTEOSA-N 1 0 383.330 2.997 20 0 GFADRO C[C@]([NH3+])(C(=O)N1CCC[C@H](c2cc[nH]n2)C1)c1ccc(Br)cc1 ZINC000645774800 565560875 /nfs/dbraw/zinc/56/08/75/565560875.db2.gz HQCILDXEJXIUIB-YVEFUNNKSA-N 1 0 377.286 2.752 20 0 GFADRO CCN(C(=O)Nc1ccnn1-c1ccc(Br)cn1)[C@H]1CC[N@H+](C)C1 ZINC000666959237 565564212 /nfs/dbraw/zinc/56/42/12/565564212.db2.gz UWVVJTBKBSKRMM-ZDUSSCGKSA-N 1 0 393.289 2.588 20 0 GFADRO COc1ccc(C(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)c(Br)c1 ZINC000624607571 565565778 /nfs/dbraw/zinc/56/57/78/565565778.db2.gz LXCVHQBRTXIXGR-AWEZNQCLSA-N 1 0 385.302 2.544 20 0 GFADRO C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)C1(c2ccc(I)cc2)CC1 ZINC000597702249 565570847 /nfs/dbraw/zinc/57/08/47/565570847.db2.gz ZQGMUSSBCXWHGQ-WFASDCNBSA-N 1 0 398.288 2.874 20 0 GFADRO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)C1(c2ccc(I)cc2)CC1 ZINC000597702246 565571041 /nfs/dbraw/zinc/57/10/41/565571041.db2.gz ZQGMUSSBCXWHGQ-DOMZBBRYSA-N 1 0 398.288 2.874 20 0 GFADRO O=C(Nc1nc(CC(F)(F)F)cs1)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000667157944 565573678 /nfs/dbraw/zinc/57/36/78/565573678.db2.gz MAOYWXXAZMQPMA-GFCCVEGCSA-N 1 0 378.420 2.623 20 0 GFADRO CC[NH+]1CCC(NS(=O)(=O)c2cc(F)c(Br)cc2C)CC1 ZINC000624842813 565578566 /nfs/dbraw/zinc/57/85/66/565578566.db2.gz KODACJJZNBEIDI-UHFFFAOYSA-N 1 0 379.295 2.659 20 0 GFADRO O=C(NC[C@H]1CCCC[NH2+]1)C(=O)Nc1ccc(Br)c2ccccc12 ZINC000667262384 565580020 /nfs/dbraw/zinc/58/00/20/565580020.db2.gz BSFWCRKJRJMITI-GFCCVEGCSA-N 1 0 390.281 2.799 20 0 GFADRO CC(C)[NH2+]CCCNC(=O)C(=O)Nc1cc(Br)c(F)cc1Cl ZINC000667303644 565581459 /nfs/dbraw/zinc/58/14/59/565581459.db2.gz KWPPIRWGOBWETH-UHFFFAOYSA-N 1 0 394.672 2.684 20 0 GFADRO C[NH+](C)C[C@]1(O)CCCN(C(=O)c2cc(Cl)cc(Br)c2F)C1 ZINC000646023999 565582821 /nfs/dbraw/zinc/58/28/21/565582821.db2.gz GOWJVVQFTGQETR-OAHLLOKOSA-N 1 0 393.684 2.770 20 0 GFADRO CCN(C(=O)c1ccc(I)c(F)c1)[C@@H]1CC[N@H+](C)C1 ZINC000597945931 565583963 /nfs/dbraw/zinc/58/39/63/565583963.db2.gz KJZVHLXDGWLYLE-LLVKDONJSA-N 1 0 376.213 2.597 20 0 GFADRO CSc1cc(Cl)ccc1NC(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000667381778 565584292 /nfs/dbraw/zinc/58/42/92/565584292.db2.gz BYCDPLFUOJLWRX-LBPRGKRZSA-N 1 0 384.933 2.771 20 0 GFADRO COc1cc(OC)c(NC(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)cc1Br ZINC000667436304 565586384 /nfs/dbraw/zinc/58/63/84/565586384.db2.gz WDDIOTXBRPBCFO-GWCFXTLKSA-N 1 0 384.274 2.682 20 0 GFADRO C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)[C@@H]2[NH2+]CC2(C)C)CC1 ZINC000646089764 565586674 /nfs/dbraw/zinc/58/66/74/565586674.db2.gz GKKSLTMTLZQPFY-BBRMVZONSA-N 1 0 380.330 2.652 20 0 GFADRO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)Nc1cc(Br)c(OC)cc1OC ZINC000667436293 565586824 /nfs/dbraw/zinc/58/68/24/565586824.db2.gz PUDXFVQMYKTKEQ-UWVGGRQHSA-N 1 0 390.253 2.630 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CN(C(=O)N[C@H](c2ccc(F)c(Cl)c2)C(F)(F)F)CCO1 ZINC000667492241 565588560 /nfs/dbraw/zinc/58/85/60/565588560.db2.gz VUQHTOJTRFYSIK-AQUOVQTQSA-N 1 0 383.773 2.840 20 0 GFADRO COCCN(Cc1sccc1Br)C(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000646214900 565590361 /nfs/dbraw/zinc/59/03/61/565590361.db2.gz XKXSXLKZVAUHFR-GHMZBOCLSA-N 1 0 378.336 2.794 20 0 GFADRO O=C(Cc1csc(-c2ccc(Cl)s2)n1)N[C@@H](CO)C[NH+]1CCCC1 ZINC000646223062 565591557 /nfs/dbraw/zinc/59/15/57/565591557.db2.gz AGCHCSDUBNJJBD-GFCCVEGCSA-N 1 0 385.942 2.640 20 0 GFADRO CC1(C)C[NH2+][C@H]1C(=O)NC1CCN(Cc2ccc(Br)cc2)CC1 ZINC000646241794 565592091 /nfs/dbraw/zinc/59/20/91/565592091.db2.gz JVZDJCKMDRYQIM-INIZCTEOSA-N 1 0 380.330 2.528 20 0 GFADRO Cc1nc(-c2cccc(Cl)c2)sc1C(=O)N[C@@H](CO)C[NH+]1CCCC1 ZINC000646220364 565592140 /nfs/dbraw/zinc/59/21/40/565592140.db2.gz SXEQAZLVQOZEIF-OAHLLOKOSA-N 1 0 379.913 2.958 20 0 GFADRO CC1([NH3+])CCN(C(=O)C(=O)Nc2cccc(Cl)c2SCC(F)F)CC1 ZINC000667512208 565592432 /nfs/dbraw/zinc/59/24/32/565592432.db2.gz XRLOLNXKMZSNQX-UHFFFAOYSA-N 1 0 391.871 2.976 20 0 GFADRO CC[C@@H]1CN(C(=O)C(=O)Nc2cccc(Cl)c2Br)CC[C@@H]1[NH3+] ZINC000667550432 565594506 /nfs/dbraw/zinc/59/45/06/565594506.db2.gz MFWMSJSFMMVFOR-KOLCDFICSA-N 1 0 388.693 2.627 20 0 GFADRO CC[C@H]1CN(C(=O)C(=O)Nc2ccc(Br)cc2Cl)CC[C@@H]1[NH3+] ZINC000667552059 565594736 /nfs/dbraw/zinc/59/47/36/565594736.db2.gz MHAKXNGAWWBXRC-CABZTGNLSA-N 1 0 388.693 2.627 20 0 GFADRO C[C@@H]1COCC[N@@H+]1C1CCN(C(=O)COc2ccccc2Br)CC1 ZINC000646321627 565596530 /nfs/dbraw/zinc/59/65/30/565596530.db2.gz NOPOZQICPXSLDU-CQSZACIVSA-N 1 0 397.313 2.540 20 0 GFADRO COCC[C@H](Cc1cccc(Br)c1)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000646336769 565597711 /nfs/dbraw/zinc/59/77/11/565597711.db2.gz DNZWPQRLXCVULG-JFIYKMOQSA-N 1 0 395.341 2.855 20 0 GFADRO C[C@H](CC(=O)Nc1nc2c(s1)C[C@@H]([NH3+])CC2)n1cc(Br)cn1 ZINC000646359053 565599722 /nfs/dbraw/zinc/59/97/22/565599722.db2.gz MLERZPMURWISNN-SCZZXKLOSA-N 1 0 384.303 2.508 20 0 GFADRO CC[NH+](CC)C[C@H](C)NS(=O)(=O)c1c(OC)cccc1OC(F)(F)F ZINC000625140820 565602181 /nfs/dbraw/zinc/60/21/81/565602181.db2.gz BOXGTKBCNWJUCP-NSHDSACASA-N 1 0 384.420 2.602 20 0 GFADRO C[C@H](Oc1ccccc1Br)C(=O)N1CCOC[C@H]1[C@H]1CCC[N@@H+]1C ZINC000646455473 565603536 /nfs/dbraw/zinc/60/35/36/565603536.db2.gz OOQLGQQYPRECIR-IMJJTQAJSA-N 1 0 397.313 2.538 20 0 GFADRO CN1CC[NH+](CC2CN(C(=O)[C@H]3C[C@@H]3c3cc(Cl)cc(Cl)c3)C2)CC1 ZINC000646460785 565603665 /nfs/dbraw/zinc/60/36/65/565603665.db2.gz LDSHRALOXONIHX-MSOLQXFVSA-N 1 0 382.335 2.803 20 0 GFADRO COc1ccc(Br)c(C(=O)NCCC[NH2+][C@H]2CO[C@@H](C3CC3)C2)c1 ZINC000667836599 565607751 /nfs/dbraw/zinc/60/77/51/565607751.db2.gz VLCKFMIDXMIHKJ-CXAGYDPISA-N 1 0 397.313 2.735 20 0 GFADRO CCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(I)cc2NC)C1 ZINC000598341825 565609851 /nfs/dbraw/zinc/60/98/51/565609851.db2.gz GLGHRBUVJYSLBR-GFCCVEGCSA-N 1 0 387.265 2.547 20 0 GFADRO C[C@H](CNC(=O)c1cc(Br)cc2[nH]c(=O)[nH]c21)C[NH+]1CCCCC1 ZINC000646697557 565614652 /nfs/dbraw/zinc/61/46/52/565614652.db2.gz ALWICXFHKVDRJG-LLVKDONJSA-N 1 0 395.301 2.883 20 0 GFADRO COc1cc(Br)c(CNC(=O)[C@@H]2CCc3nc[nH]c3C2)cc1OC ZINC000668001468 565617230 /nfs/dbraw/zinc/61/72/30/565617230.db2.gz QUNLCZQBGSNGMK-SNVBAGLBSA-N 1 0 394.269 2.611 20 0 GFADRO C[NH+]1CCC(CC(=O)Nc2nc3cc(I)ccc3[nH]2)CC1 ZINC000598429170 565617261 /nfs/dbraw/zinc/61/72/61/565617261.db2.gz VNFHJPORABNWSA-UHFFFAOYSA-N 1 0 398.248 2.838 20 0 GFADRO CN(C)CC[N@H+](C)CCCNC(=O)Nc1ccc(F)c(Br)c1F ZINC000668039978 565623436 /nfs/dbraw/zinc/62/34/36/565623436.db2.gz HMIBJRIQSXRWJX-UHFFFAOYSA-N 1 0 393.276 2.732 20 0 GFADRO Cc1sc2ncnc(SCCC(=O)N3CC[C@@H]4C[N@@H+](C)C[C@H]43)c2c1C ZINC000646927373 565626994 /nfs/dbraw/zinc/62/69/94/565626994.db2.gz JGUNKVVEDRICLG-ZIAGYGMSSA-N 1 0 376.551 2.953 20 0 GFADRO C[N@@H+]1CCCC[C@@H](CNS(=O)(=O)c2ccc(F)c(Br)c2)C1 ZINC000625422605 565629227 /nfs/dbraw/zinc/62/92/27/565629227.db2.gz RPTJTRIBOARNPO-NSHDSACASA-N 1 0 379.295 2.598 20 0 GFADRO Cc1c(Br)cncc1CN(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000668162412 565629812 /nfs/dbraw/zinc/62/98/12/565629812.db2.gz ZFOFSCNRXLKNBT-KRWDZBQOSA-N 1 0 381.362 2.753 20 0 GFADRO CCC[C@H]1C[NH2+]CCN1C(=O)c1nnn(-c2cccc(Br)c2)c1C ZINC000646961173 565630247 /nfs/dbraw/zinc/63/02/47/565630247.db2.gz ICJHKYCJKRVTKV-HNNXBMFYSA-N 1 0 392.301 2.552 20 0 GFADRO [NH3+][C@@H]1CCC[C@H](NC(=O)[C@@H](c2ccc(Br)cc2)N2CCCC2)C1 ZINC000646996897 565631089 /nfs/dbraw/zinc/63/10/89/565631089.db2.gz CBTOFIULNNHHSZ-IXDOHACOSA-N 1 0 380.330 2.972 20 0 GFADRO COCC[C@H](Cc1cccc(Br)c1)C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000646987869 565631580 /nfs/dbraw/zinc/63/15/80/565631580.db2.gz SZNSVKXOYBHRQH-WBVHZDCISA-N 1 0 383.330 2.903 20 0 GFADRO CC[C@@H]1CN(C(=O)[C@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)CC[C@H]1[NH3+] ZINC000647012267 565632455 /nfs/dbraw/zinc/63/24/55/565632455.db2.gz QUIAUGWOYULYGC-UXIGCNINSA-N 1 0 384.307 2.932 20 0 GFADRO Cc1csc(C(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)c1I ZINC000598666858 565632673 /nfs/dbraw/zinc/63/26/73/565632673.db2.gz ALHMQKKTWUMMGI-NOZJJQNGSA-N 1 0 376.263 2.615 20 0 GFADRO [NH3+]CC[C@@H](NC(=O)[C@@H](c1ccc(Br)cc1)N1CCCC1)C(F)F ZINC000647071349 565635836 /nfs/dbraw/zinc/63/58/36/565635836.db2.gz NZEIKTBKXSJNPD-ZIAGYGMSSA-N 1 0 390.272 2.685 20 0 GFADRO C[C@@H](C(=O)Nc1ccccc1Br)N1CCC([NH+]2CCOCC2)CC1 ZINC000625554485 565639257 /nfs/dbraw/zinc/63/92/57/565639257.db2.gz ZMJNCXMCHLREKW-AWEZNQCLSA-N 1 0 396.329 2.573 20 0 GFADRO Cc1c(-c2nc([C@H]3CCC[NH2+]3)no2)nnn1-c1cccc(Br)c1 ZINC000647151502 565641360 /nfs/dbraw/zinc/64/13/60/565641360.db2.gz IFAUXZDTPWRVGK-GFCCVEGCSA-N 1 0 375.230 2.813 20 0 GFADRO C[C@@H](NC(=O)C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1)c1ccc(Br)cc1 ZINC000668365323 565643143 /nfs/dbraw/zinc/64/31/43/565643143.db2.gz HGUCAWHTRICPTM-IUODEOHRSA-N 1 0 396.329 2.615 20 0 GFADRO COc1ccccc1[C@@H]([NH3+])CNS(=O)(=O)c1cccc(Br)c1C ZINC000647187448 565644711 /nfs/dbraw/zinc/64/47/11/565644711.db2.gz NUKPPOLAHREELJ-AWEZNQCLSA-N 1 0 399.310 2.744 20 0 GFADRO O=S(=O)(Cc1ccc(Br)cc1Cl)NC[C@H]1CCCC[NH2+]1 ZINC000647201890 565645615 /nfs/dbraw/zinc/64/56/15/565645615.db2.gz DOBFKDXLIGOYMI-GFCCVEGCSA-N 1 0 381.723 2.664 20 0 GFADRO Cc1c2cc(C(=O)N[C@H](C)CN3CC[NH+](C)CC3)[nH]c2ccc1Br ZINC000668396151 565645552 /nfs/dbraw/zinc/64/55/52/565645552.db2.gz XHASXUZUQNNKRR-GFCCVEGCSA-N 1 0 393.329 2.605 20 0 GFADRO O=S(=O)(Cc1ccc(Br)cc1Cl)NC[C@@H]1CCC[NH2+]C1 ZINC000647200267 565646028 /nfs/dbraw/zinc/64/60/28/565646028.db2.gz VHSYTAFYSPHPIR-SNVBAGLBSA-N 1 0 381.723 2.522 20 0 GFADRO O=S(=O)(Cc1ccc(Br)cc1Cl)NC[C@H]1CCC[NH2+]C1 ZINC000647200266 565646445 /nfs/dbraw/zinc/64/64/45/565646445.db2.gz VHSYTAFYSPHPIR-JTQLQIEISA-N 1 0 381.723 2.522 20 0 GFADRO O=S1(=O)CCC[C@@H](C[NH2+]Cc2cc(OC(F)F)ccc2Br)C1 ZINC000647211109 565646457 /nfs/dbraw/zinc/64/64/57/565646457.db2.gz TVLNXYMCODVYNS-JTQLQIEISA-N 1 0 398.269 2.965 20 0 GFADRO O=S(=O)(Cc1ccc(Cl)cc1Br)NCC[C@H]1CCC[NH2+]C1 ZINC000647219243 565646675 /nfs/dbraw/zinc/64/66/75/565646675.db2.gz OXGAEWFXMOPJOP-LLVKDONJSA-N 1 0 395.750 2.912 20 0 GFADRO Brc1ccc2c(c1)C=C(C[N@@H+]1CC[C@H](Cn3ccnn3)C1)CO2 ZINC000668451619 565646929 /nfs/dbraw/zinc/64/69/29/565646929.db2.gz LJYYLOOENUNGGZ-ZDUSSCGKSA-N 1 0 375.270 2.839 20 0 GFADRO FC(F)Oc1ccc(Br)c(C[NH2+][C@H]2CCc3nnnn3CC2)c1 ZINC000647218799 565646933 /nfs/dbraw/zinc/64/69/33/565646933.db2.gz IRACUBYBIQPNPH-JTQLQIEISA-N 1 0 388.216 2.532 20 0 GFADRO O=C(c1cc(Br)cc2c1OCCO2)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000668442844 565647621 /nfs/dbraw/zinc/64/76/21/565647621.db2.gz SZBFFALBVPQWCF-CQSZACIVSA-N 1 0 395.297 2.921 20 0 GFADRO C[C@@H]1Cc2cc(S(=O)(=O)N3CCC[C@H]([C@@H]4CCC[NH2+]4)C3)cc(Cl)c2O1 ZINC000647237584 565647998 /nfs/dbraw/zinc/64/79/98/565647998.db2.gz HEPFYZKXBXOIFC-IGCXYCKISA-N 1 0 384.929 2.816 20 0 GFADRO O=S(=O)(c1cc(F)ccc1OC(F)F)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647238103 565648003 /nfs/dbraw/zinc/64/80/03/565648003.db2.gz FEYKGIYGOQVJPQ-AAEUAGOBSA-N 1 0 378.416 2.580 20 0 GFADRO O=S(=O)(c1csc(-c2ccccc2)n1)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000647237582 565648748 /nfs/dbraw/zinc/64/87/48/565648748.db2.gz HDHYANLBSVIWRA-HZPDHXFCSA-N 1 0 377.535 2.963 20 0 GFADRO C[C@@H]1CN(S(=O)(=O)Cc2ccc(Br)cc2Cl)[C@H](C)C[NH2+]1 ZINC000647250615 565649380 /nfs/dbraw/zinc/64/93/80/565649380.db2.gz JXNPNVXNOZBYQX-NXEZZACHSA-N 1 0 381.723 2.615 20 0 GFADRO CC(C)(C[NH2+]Cc1cn(-c2cccc(Cl)c2Cl)nn1)[C@]1(O)CCOC1 ZINC000647247005 565649595 /nfs/dbraw/zinc/64/95/95/565649595.db2.gz VVDAKCHVBYCYRE-KRWDZBQOSA-N 1 0 385.295 2.841 20 0 GFADRO CO[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+][C@@H](C)CCCOc1ccc(Cl)c(C)c1 ZINC000668507563 565650406 /nfs/dbraw/zinc/65/04/06/565650406.db2.gz PAESJUCZUAKKQO-RRQGHBQHSA-N 1 0 375.918 2.598 20 0 GFADRO O=S(=O)(c1ccc2cc(Br)ccc2c1)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000647263996 565650578 /nfs/dbraw/zinc/65/05/78/565650578.db2.gz LQIHPTPKPCNLTP-SJKOYZFVSA-N 1 0 395.322 2.975 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CCN(S(=O)(=O)Cc2ccc(Br)cc2Cl)C1 ZINC000647266347 565650813 /nfs/dbraw/zinc/65/08/13/565650813.db2.gz RIJMOJBDXYWGAQ-ZJUUUORDSA-N 1 0 381.723 2.601 20 0 GFADRO CC(C)(C)OC(=O)c1ccc(C[NH2+][C@H]2CCC[C@@H]2CNS(C)(=O)=O)s1 ZINC000598978592 565651941 /nfs/dbraw/zinc/65/19/41/565651941.db2.gz ICVJMQCRFGLQDA-OCCSQVGLSA-N 1 0 388.555 2.511 20 0 GFADRO CN(C)C(=O)CN(CC[NH+](C)C)Cc1cc(Br)ccc1Cl ZINC000668558351 565653357 /nfs/dbraw/zinc/65/33/57/565653357.db2.gz IDOWWHICCIMSHK-UHFFFAOYSA-N 1 0 376.726 2.554 20 0 GFADRO CCC1([NH+]2CCOCC2)CCN(C(=O)NCCSCC(F)(F)F)CC1 ZINC000599018787 565653649 /nfs/dbraw/zinc/65/36/49/565653649.db2.gz NDZFFEPSDQZMTP-UHFFFAOYSA-N 1 0 383.480 2.568 20 0 GFADRO C[C@H]1[NH2+]CCN(S(=O)(=O)Cc2ccc(Br)cc2Cl)[C@H]1C ZINC000647287098 565654299 /nfs/dbraw/zinc/65/42/99/565654299.db2.gz KPYHBBTXTLNEJO-ZJUUUORDSA-N 1 0 381.723 2.615 20 0 GFADRO O=S(=O)(Cc1cc(Cl)ccc1Br)N[C@@H]1CCC[NH2+]CC1 ZINC000647285844 565654475 /nfs/dbraw/zinc/65/44/75/565654475.db2.gz UJIWNLZZKSIGJI-GFCCVEGCSA-N 1 0 381.723 2.664 20 0 GFADRO Cc1cc(C)c(C(=O)NCCC[NH+]2CCC(O)CC2)c(C)c1Br ZINC000625715100 565655694 /nfs/dbraw/zinc/65/56/94/565655694.db2.gz FPZMXMFKPPSPAY-UHFFFAOYSA-N 1 0 383.330 2.951 20 0 GFADRO OCCOCCN(Cc1cn(-c2cccc(Cl)c2Cl)nn1)C1CCC1 ZINC000668575931 565655841 /nfs/dbraw/zinc/65/58/41/565655841.db2.gz YEHPJTXJJULBPO-UHFFFAOYSA-N 1 0 385.295 2.938 20 0 GFADRO C[C@]12COC[C@@H]1C[N@H+](Cc1ccc(Br)cc1N1CCOCC1)C2 ZINC000668596442 565656439 /nfs/dbraw/zinc/65/64/39/565656439.db2.gz HVJDZBRPMDFMLG-YJBOKZPZSA-N 1 0 381.314 2.754 20 0 GFADRO O=S(=O)(c1c(F)c(F)cc(F)c1F)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647308065 565656569 /nfs/dbraw/zinc/65/65/69/565656569.db2.gz JREHCNUXTHJTDZ-QWRGUYRKSA-N 1 0 380.407 2.643 20 0 GFADRO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CC(C)(C)[C@@]1(O)CCOC1 ZINC000647341133 565657548 /nfs/dbraw/zinc/65/75/48/565657548.db2.gz SNYVHBMKYVVRPL-FZKQIMNGSA-N 1 0 399.329 2.933 20 0 GFADRO C[C@@H]1CCCCN1C(=O)C[NH2+][C@]1(CO)CCc2cc(Br)ccc2C1 ZINC000625794889 565659575 /nfs/dbraw/zinc/65/95/75/565659575.db2.gz OYKZPVGOEXFMPW-AUUYWEPGSA-N 1 0 395.341 2.660 20 0 GFADRO OC[C@]1([NH2+]C[C@H](O)CC(F)(F)F)CCc2cc(Br)ccc2C1 ZINC000625795887 565660378 /nfs/dbraw/zinc/66/03/78/565660378.db2.gz AQJDSUBDJXHOKF-KGLIPLIRSA-N 1 0 382.220 2.572 20 0 GFADRO CC[NH+]1CCN([C@H](C)CNC(=O)c2cc(Br)cc(C)c2C)CC1 ZINC000668674687 565660827 /nfs/dbraw/zinc/66/08/27/565660827.db2.gz RICIAMARAUSXJS-CQSZACIVSA-N 1 0 382.346 2.822 20 0 GFADRO CCCNC(=O)CCC[NH2+][C@@]1(CO)CCc2cc(Br)ccc2C1 ZINC000625796977 565660954 /nfs/dbraw/zinc/66/09/54/565660954.db2.gz PEYGALLKZJWLNH-SFHVURJKSA-N 1 0 383.330 2.565 20 0 GFADRO C[C@H](c1ccc(Br)cc1)[NH+]1CCC(n2cc(C(N)=O)nn2)CC1 ZINC000625807520 565661684 /nfs/dbraw/zinc/66/16/84/565661684.db2.gz SQSFJWLEJOCLDO-LLVKDONJSA-N 1 0 378.274 2.538 20 0 GFADRO Cc1ccccc1C[C@@H](CO)[NH2+]C[C@H](O)COc1cccc(Br)c1 ZINC000647525399 565662998 /nfs/dbraw/zinc/66/29/98/565662998.db2.gz YOIQFMZXQYPKRA-ROUUACIJSA-N 1 0 394.309 2.690 20 0 GFADRO OC[C@H]1CC[C@@H]([NH2+]C[C@@H](O)COc2ccc(Cl)cc2Br)CC1 ZINC000647526179 565663003 /nfs/dbraw/zinc/66/30/03/565663003.db2.gz WNXVSPGTRRJOAO-KWCYVHTRSA-N 1 0 392.721 2.983 20 0 GFADRO COCCOc1c(Cl)cc(NC(=O)NCC2([NH3+])CCOCC2)cc1Cl ZINC000625874312 565663303 /nfs/dbraw/zinc/66/33/03/565663303.db2.gz CONCAFWIESQMQF-UHFFFAOYSA-N 1 0 392.283 2.648 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)Nc2cncc(Br)c2)CC[C@H]1C(F)(F)F ZINC000625872464 565663500 /nfs/dbraw/zinc/66/35/00/565663500.db2.gz DMVLQRNAEVRBCM-GZMMTYOYSA-N 1 0 381.196 2.835 20 0 GFADRO C[NH2+]CCOCCNC(=O)Nc1ccc(C(F)(F)F)c(Br)c1 ZINC000625881724 565664502 /nfs/dbraw/zinc/66/45/02/565664502.db2.gz FQYUCSPFDZMTGP-UHFFFAOYSA-N 1 0 384.196 2.825 20 0 GFADRO C[C@H]1CC[C@H](NC(=O)Nc2ccnn2Cc2ccc(Br)cc2)C[NH2+]1 ZINC000625880655 565664893 /nfs/dbraw/zinc/66/48/93/565664893.db2.gz HFRWVWJRUBTEMR-WFASDCNBSA-N 1 0 392.301 2.956 20 0 GFADRO [NH3+]CC[C@H](NC(=O)NCc1ccc(Br)c(F)c1F)C(F)(F)F ZINC000625898615 565665382 /nfs/dbraw/zinc/66/53/82/565665382.db2.gz WKVKUSMMUIFWRF-QMMMGPOBSA-N 1 0 390.150 2.806 20 0 GFADRO [NH3+]CC[C@H](NC(=O)N[C@@H]1CCN(c2ccc(Cl)cc2F)C1)C(F)(F)F ZINC000625898217 565665819 /nfs/dbraw/zinc/66/58/19/565665819.db2.gz JPQDNBATJLMKFC-MFKMUULPSA-N 1 0 382.789 2.637 20 0 GFADRO CC(=O)N[C@H](CC(=O)N[C@@H]1CCC[C@H]1[NH+](C)C)c1ccc(Br)cc1 ZINC000647616892 565666509 /nfs/dbraw/zinc/66/65/09/565666509.db2.gz BGMNXBDYNLPJSQ-BRWVUGGUSA-N 1 0 396.329 2.615 20 0 GFADRO C[C@H](NC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(CO)C1)c1ccc(Br)cc1 ZINC000626011336 565670433 /nfs/dbraw/zinc/67/04/33/565670433.db2.gz GSYVTYGTMCKGNE-DHSIGJKJSA-N 1 0 381.314 2.721 20 0 GFADRO O=C(NCCC[NH+]1CCC(O)CC1)c1c(Cl)cccc1Br ZINC000668895545 565670698 /nfs/dbraw/zinc/67/06/98/565670698.db2.gz NMQDHCKEMHAWJK-UHFFFAOYSA-N 1 0 375.694 2.679 20 0 GFADRO C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+]1C[C@@H]2CCC[C@]2(CO)C1 ZINC000626013278 565671106 /nfs/dbraw/zinc/67/11/06/565671106.db2.gz ZPCHEUUCYVEMMV-URLQWDBASA-N 1 0 395.341 2.890 20 0 GFADRO CC(C)Oc1cc(Br)ccc1C(=O)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000647707144 565671921 /nfs/dbraw/zinc/67/19/21/565671921.db2.gz XAGBKUHBTLIDLD-CABCVRRESA-N 1 0 397.313 2.517 20 0 GFADRO C[C@@H]1C[C@H](c2ccc(Br)cc2)C[N@@H+]1CC(=O)NC[C@@H]1CCCO1 ZINC000626039967 565673101 /nfs/dbraw/zinc/67/31/01/565673101.db2.gz SOSBLVNVQNKULX-KMFMINBZSA-N 1 0 381.314 2.922 20 0 GFADRO C[NH+]1CCC2(CCN(C(=O)CNC(=O)c3ccc(Cl)c(Cl)c3)C2)CC1 ZINC000647725078 565673691 /nfs/dbraw/zinc/67/36/91/565673691.db2.gz LHIPQYSXODGFGO-UHFFFAOYSA-N 1 0 384.307 2.668 20 0 GFADRO C[C@@H]1COCC[N@@H+]1C1CCN(C(=O)Cc2cc(F)ccc2Br)CC1 ZINC000647763603 565674993 /nfs/dbraw/zinc/67/49/93/565674993.db2.gz FQZLOCYIDFIPTB-CYBMUJFWSA-N 1 0 399.304 2.842 20 0 GFADRO O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)c1ccc(Br)c(F)c1F ZINC000626105616 565675681 /nfs/dbraw/zinc/67/56/81/565675681.db2.gz LLQQNUDYYHQCHW-NSHDSACASA-N 1 0 389.240 2.710 20 0 GFADRO CC[NH+]1CCC(NC(=O)CN2CCc3cc(F)cc(Br)c3C2)CC1 ZINC000626131858 565677001 /nfs/dbraw/zinc/67/70/01/565677001.db2.gz NKMHYFMTVLQXQN-UHFFFAOYSA-N 1 0 398.320 2.547 20 0 GFADRO Cc1ccc(CC(=O)N2CCOC[C@H]2[C@H]2CCC[N@H+]2C)cc1Br ZINC000647822156 565678787 /nfs/dbraw/zinc/67/87/87/565678787.db2.gz QXUNZIULAFNORL-SJORKVTESA-N 1 0 381.314 2.622 20 0 GFADRO C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1nn(-c2ccc(F)cc2)cc1Br ZINC000647832570 565679663 /nfs/dbraw/zinc/67/96/63/565679663.db2.gz BIAYKTJHKKFDBY-NHYWBVRUSA-N 1 0 395.276 2.939 20 0 GFADRO CCC[NH2+][C@H](C)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(CC)CC)c1 ZINC000647897886 565682220 /nfs/dbraw/zinc/68/22/20/565682220.db2.gz OUGALVRSNKVXEZ-GFCCVEGCSA-N 1 0 375.922 2.697 20 0 GFADRO CC[C@@H]1CN([C@@H](C)C(=O)N(C)Cc2ccc(Br)cc2)CC[C@H]1[NH3+] ZINC000647938480 565684323 /nfs/dbraw/zinc/68/43/23/565684323.db2.gz OGGHCUMKDAMDCS-YSVLISHTSA-N 1 0 382.346 2.855 20 0 GFADRO C[NH2+]C[C@@H]1C[C@H](F)CN1CCC(=O)Nc1ccc(Br)cc1F ZINC000647959156 565684454 /nfs/dbraw/zinc/68/44/54/565684454.db2.gz ANSPZFGRNRVKQP-RYUDHWBXSA-N 1 0 376.245 2.549 20 0 GFADRO NC(=O)[C@H](c1cccc(Br)c1)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647978395 565686015 /nfs/dbraw/zinc/68/60/15/565686015.db2.gz RIMHFUHOHXYGBZ-ZOBUZTSGSA-N 1 0 380.330 2.687 20 0 GFADRO COC(=O)c1coc(C[NH2+][C@]2(CO)CCc3cc(Br)ccc3C2)c1 ZINC000599573507 565688812 /nfs/dbraw/zinc/68/88/12/565688812.db2.gz RAASPTOLJSHDAN-GOSISDBHSA-N 1 0 394.265 2.838 20 0 GFADRO CC1([NH3+])CCN(C(=O)N[C@@H]2CCN(c3ccc(Br)cc3)C2)CC1 ZINC000669458056 565689631 /nfs/dbraw/zinc/68/96/31/565689631.db2.gz NHYLNPYSNAKXBE-CQSZACIVSA-N 1 0 381.318 2.551 20 0 GFADRO C[C@@H]([NH3+])CNC(=O)NCCOc1c(Cl)cc(Br)cc1Cl ZINC000669552993 565692589 /nfs/dbraw/zinc/69/25/89/565692589.db2.gz XZHGFJRMANGPAX-SSDOTTSWSA-N 1 0 385.089 2.781 20 0 GFADRO COc1ccc(I)c(NC(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)c1 ZINC000599600172 565692898 /nfs/dbraw/zinc/69/28/98/565692898.db2.gz ZIVIWHOGJJBNRP-ZJUUUORDSA-N 1 0 389.237 2.562 20 0 GFADRO C[C@@H]1CC[C@H](NC(=O)Nc2cc(F)c(F)cc2I)C[NH2+]1 ZINC000599608251 565693204 /nfs/dbraw/zinc/69/32/04/565693204.db2.gz NRLSIPJXVGBDOZ-SFYZADRCSA-N 1 0 395.191 2.831 20 0 GFADRO O=C(N[C@@H]1CCOc2c(Br)cccc21)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000669580849 565693255 /nfs/dbraw/zinc/69/32/55/565693255.db2.gz PDHXQSCFABPGOA-GLQYFDAESA-N 1 0 380.286 2.666 20 0 GFADRO O=C(N[C@H]1CC[NH2+]C12CCCC2)c1cc(=O)c2cc(Br)ccc2[nH]1 ZINC000648209449 565693322 /nfs/dbraw/zinc/69/33/22/565693322.db2.gz VUPDZZMWFCGJOA-INIZCTEOSA-N 1 0 390.281 2.695 20 0 GFADRO COc1cc(Br)ccc1CNC(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000669565654 565693676 /nfs/dbraw/zinc/69/36/76/565693676.db2.gz OUTVGMAOZNHRIE-ZFWWWQNUSA-N 1 0 396.329 2.989 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CN(C(=O)NCc2cnc(-c3ccc(Cl)cc3)s2)CCO1 ZINC000669583082 565694223 /nfs/dbraw/zinc/69/42/23/565694223.db2.gz LEVZJQYJYKPKFR-ABAIWWIYSA-N 1 0 380.901 2.721 20 0 GFADRO COCC[C@H](NC(=O)N1CCO[C@H]([C@@H](C)[NH3+])C1)c1ccc(Cl)c(Cl)c1 ZINC000669582765 565694305 /nfs/dbraw/zinc/69/43/05/565694305.db2.gz QMDGGXIROIUJCS-RLCCDNCMSA-N 1 0 390.311 2.829 20 0 GFADRO CN(C(=O)c1cnn(-c2cccc(Br)c2)c1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000599869922 565704876 /nfs/dbraw/zinc/70/48/76/565704876.db2.gz ALNMVJVVTOKNEE-KRWDZBQOSA-N 1 0 389.297 2.944 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)Nc2cccc(Cl)c2Cl)CC[C@@H]1C(F)(F)F ZINC000626860341 565712928 /nfs/dbraw/zinc/71/29/28/565712928.db2.gz DOEYUACQDFDMRT-BDAKNGLRSA-N 1 0 398.212 2.918 20 0 GFADRO C[C@H](CNC(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)Oc1cccc(Br)c1 ZINC000626990063 565718082 /nfs/dbraw/zinc/71/80/82/565718082.db2.gz QQSOAORRXJSKOG-XWIAVFTESA-N 1 0 396.329 2.857 20 0 GFADRO O=C(NC[C@H]1COCC[NH2+]1)NCC1(c2cccc(Br)c2)CCCC1 ZINC000627003088 565719141 /nfs/dbraw/zinc/71/91/41/565719141.db2.gz GQVZJPLBMWSPBO-INIZCTEOSA-N 1 0 396.329 2.549 20 0 GFADRO C[C@@]1(CNC(=O)NCc2cc(F)c(Br)cc2F)CCC[NH2+]C1 ZINC000627083182 565721919 /nfs/dbraw/zinc/72/19/19/565721919.db2.gz GJGIQPMZRXTKMB-OAHLLOKOSA-N 1 0 376.245 2.916 20 0 GFADRO CC(C)(COc1ncccc1Br)NC(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000627130082 565723050 /nfs/dbraw/zinc/72/30/50/565723050.db2.gz HRSWTXAXWKYOQQ-CYBMUJFWSA-N 1 0 397.317 2.585 20 0 GFADRO CCN(CC)S(=O)(=O)c1cc(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)ccc1Cl ZINC000648717448 565723280 /nfs/dbraw/zinc/72/32/80/565723280.db2.gz ZUFZSKBNYCKOIC-TZMCWYRMSA-N 1 0 387.933 2.649 20 0 GFADRO COCC[N@H+](C)CCCNC(=O)c1cc2c(cncc2Br)s1 ZINC000648733169 565724578 /nfs/dbraw/zinc/72/45/78/565724578.db2.gz FRJYJLVCVWUSFW-UHFFFAOYSA-N 1 0 386.315 2.757 20 0 GFADRO C[C@@H]1C[C@@H](N(C)C(=O)C(=O)NCCc2ccc(Cl)cc2Cl)CC[N@@H+]1C ZINC000670495743 565725884 /nfs/dbraw/zinc/72/58/84/565725884.db2.gz RSZQFTXBTCIYGE-DOMZBBRYSA-N 1 0 386.323 2.593 20 0 GFADRO CC1(c2cccc(Br)c2)CCN(C(=O)NCCOCCC[NH3+])CC1 ZINC000627215773 565727141 /nfs/dbraw/zinc/72/71/41/565727141.db2.gz KKDOBAUFQYZXAX-UHFFFAOYSA-N 1 0 398.345 2.878 20 0 GFADRO [NH3+]CCCOCCNC(=O)N1CCC(c2ccc(Br)cc2)CC1 ZINC000627218251 565727625 /nfs/dbraw/zinc/72/76/25/565727625.db2.gz PUJFRZLBGLWWHZ-UHFFFAOYSA-N 1 0 384.318 2.704 20 0 GFADRO CC[C@H](Cc1cccc(Br)c1)C(=O)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000627259185 565728261 /nfs/dbraw/zinc/72/82/61/565728261.db2.gz ONCRLPRGIPBKTE-KBAYOESNSA-N 1 0 395.341 2.685 20 0 GFADRO O=C(CCCCc1ccc(Br)cc1)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000627256195 565728315 /nfs/dbraw/zinc/72/83/15/565728315.db2.gz IAWDQUGSKQEITI-QZTJIDSGSA-N 1 0 395.341 2.829 20 0 GFADRO O=C(c1ccc2scc(Br)c2c1)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000627269230 565729571 /nfs/dbraw/zinc/72/95/71/565729571.db2.gz OSCHYDVWJSCIES-OLZOCXBDSA-N 1 0 395.322 2.945 20 0 GFADRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCC(C)(C)c1ccc(Cl)c(Cl)c1 ZINC000627352946 565733931 /nfs/dbraw/zinc/73/39/31/565733931.db2.gz NHZWQEPEEWJAGJ-LSDHHAIUSA-N 1 0 386.323 2.644 20 0 GFADRO C[C@@H]1CC[C@H](NC(=O)C(=O)NCC(C)(C)c2ccc(Cl)c(Cl)c2)C[NH2+]1 ZINC000627353276 565734275 /nfs/dbraw/zinc/73/42/75/565734275.db2.gz XQKNSSVCJVQUGH-YPMHNXCESA-N 1 0 386.323 2.644 20 0 GFADRO Cn1ccnc1[C@@H]1C[C@H]([NH2+]Cc2cc3c(c(Br)c2)OCO3)CCO1 ZINC000648869689 565735125 /nfs/dbraw/zinc/73/51/25/565735125.db2.gz TUKLSTJJEDEDRH-DOMZBBRYSA-N 1 0 394.269 2.921 20 0 GFADRO Cn1ccnc1[C@H]1C[C@@H]([NH2+]Cc2cnc3ccc(Br)cn23)CCO1 ZINC000648870282 565736749 /nfs/dbraw/zinc/73/67/49/565736749.db2.gz VUEGMAHIWNBGEH-DZGCQCFKSA-N 1 0 390.285 2.840 20 0 GFADRO C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000627446621 565737496 /nfs/dbraw/zinc/73/74/96/565737496.db2.gz QRBPWDXCOXUIRB-IAQYHMDHSA-N 1 0 384.307 2.914 20 0 GFADRO CCN(C(=O)c1cc(Br)c2c(c1)OCCO2)C1CC[NH+](C)CC1 ZINC000627619901 565743949 /nfs/dbraw/zinc/74/39/49/565743949.db2.gz YQPKMBXDUJZXQD-UHFFFAOYSA-N 1 0 383.286 2.777 20 0 GFADRO COc1ccc(Br)cc1C1(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)CC1 ZINC000627656643 565745163 /nfs/dbraw/zinc/74/51/63/565745163.db2.gz QLWJLYSUKJGXEO-VIKVFOODSA-N 1 0 379.298 2.508 20 0 GFADRO CC[NH+](CC)[C@@H](CNC(=O)C(=O)NC[C@@]1(C)CCCS1)c1ccsc1 ZINC000670969742 565748635 /nfs/dbraw/zinc/74/86/35/565748635.db2.gz BSMSJNJRYRPDEE-MAUKXSAKSA-N 1 0 383.583 2.649 20 0 GFADRO CCOC(=O)COc1c(Br)cc(C)cc1CN[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000600773359 565749447 /nfs/dbraw/zinc/74/94/47/565749447.db2.gz HBPXWRAHDRXURU-DZGCQCFKSA-N 1 0 399.329 2.930 20 0 GFADRO O=C(COc1ccc(Br)cc1)N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000627737023 565749592 /nfs/dbraw/zinc/74/95/92/565749592.db2.gz AZYFPNXVARGOEN-UHFFFAOYSA-N 1 0 397.313 2.541 20 0 GFADRO O=C(Cc1cc(F)ccc1Br)N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000627740370 565749901 /nfs/dbraw/zinc/74/99/01/565749901.db2.gz NMRTXQJPDSVBGU-UHFFFAOYSA-N 1 0 399.304 2.844 20 0 GFADRO C[NH+]1CCC2(CC1)CN(C(=O)CCc1ccc(Br)cc1F)CCO2 ZINC000649132966 565750850 /nfs/dbraw/zinc/75/08/50/565750850.db2.gz VMDZGVLIJSWJPZ-UHFFFAOYSA-N 1 0 399.304 2.844 20 0 GFADRO Cc1cccc(C[C@@H](CO)[NH2+][C@@H](C)Cn2cc(Br)ccc2=O)c1 ZINC000671121003 565752619 /nfs/dbraw/zinc/75/26/19/565752619.db2.gz XNUIFCFKFLIABY-YOEHRIQHSA-N 1 0 379.298 2.501 20 0 GFADRO O=C(NC[C@@H]1CC[N@@H+]1C1CCCC1)C(=O)Nc1cc(F)ccc1Br ZINC000627906995 565761539 /nfs/dbraw/zinc/76/15/39/565761539.db2.gz LVHFAXLTQFMKFK-ZDUSSCGKSA-N 1 0 398.276 2.660 20 0 GFADRO Cc1cc(Br)ccc1CNC(=O)NCC(C)(C)N1CC[NH+](C)CC1 ZINC000601230547 565772352 /nfs/dbraw/zinc/77/23/52/565772352.db2.gz XLLDRVJMPQGWLQ-UHFFFAOYSA-N 1 0 397.361 2.583 20 0 GFADRO O=C1[C@@H]([NH+]2CCC(C3(O)CC3)CC2)CCN1c1cccc(Br)c1 ZINC000649670682 565773023 /nfs/dbraw/zinc/77/30/23/565773023.db2.gz VXDWLDORKMUHHS-INIZCTEOSA-N 1 0 379.298 2.791 20 0 GFADRO C[C@H]1CCCN1S(=O)(=O)Nc1cc(Cl)ccc1OC1CC[NH+](C)CC1 ZINC000649686876 565774068 /nfs/dbraw/zinc/77/40/68/565774068.db2.gz FIPOXNZVYXKLQQ-ZDUSSCGKSA-N 1 0 387.933 2.954 20 0 GFADRO CC[N@H+](C[C@@H](O)COc1cc(F)cc(Br)c1)[C@@H]1CCCOC1 ZINC000649755870 565777141 /nfs/dbraw/zinc/77/71/41/565777141.db2.gz ZVNCIXUNVPARTM-HUUCEWRRSA-N 1 0 376.266 2.829 20 0 GFADRO COc1cc(C(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)ccc1Br ZINC000628159221 565777505 /nfs/dbraw/zinc/77/75/05/565777505.db2.gz KFUJYUOACQNAEL-AWEZNQCLSA-N 1 0 385.302 2.641 20 0 GFADRO O=C(C[NH2+]C1(C2CCC2)CC1)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000649807839 565778740 /nfs/dbraw/zinc/77/87/40/565778740.db2.gz HUQVRVLWBZYHHJ-UHFFFAOYSA-N 1 0 383.323 2.959 20 0 GFADRO CS[C@H]1CN(C(=O)c2ccc3cncc(Br)c3n2)C[C@@H]1[NH+](C)C ZINC000601379923 565779249 /nfs/dbraw/zinc/77/92/49/565779249.db2.gz PPGVFLGKLDNZFA-KBPBESRZSA-N 1 0 395.326 2.510 20 0 GFADRO CCS(=O)(=O)N1CCC(C[NH2+]CCc2cccc(C(F)(F)F)c2)CC1 ZINC000628238730 565780929 /nfs/dbraw/zinc/78/09/29/565780929.db2.gz KUUTZFGMDWGSFR-UHFFFAOYSA-N 1 0 378.460 2.899 20 0 GFADRO COCC[N@@H+]1CCN(CC(=O)Nc2ccc(Br)cc2C)C(C)(C)C1 ZINC000649849658 565782562 /nfs/dbraw/zinc/78/25/62/565782562.db2.gz FJVKCUJFLIFVNW-UHFFFAOYSA-N 1 0 398.345 2.739 20 0 GFADRO O=S(=O)(NCC[NH2+]Cc1cnc2ccccn12)c1cccc(Cl)c1Cl ZINC000671725629 565783502 /nfs/dbraw/zinc/78/35/02/565783502.db2.gz PFLKFUZGQHRJKA-UHFFFAOYSA-N 1 0 399.303 2.709 20 0 GFADRO CO[C@H](CC(=O)NC[C@H]1CSCC[N@@H+]1Cc1ccccc1)C(F)(F)F ZINC000649961668 565789293 /nfs/dbraw/zinc/78/92/93/565789293.db2.gz SHKMCTBAMMZQCN-LSDHHAIUSA-N 1 0 376.444 2.688 20 0 GFADRO CC(C)c1nn(-c2ccc(Br)cc2)cc1C[NH2+][C@@H]1CCOC[C@H]1O ZINC000628467527 565790252 /nfs/dbraw/zinc/79/02/52/565790252.db2.gz XRXBWIXGALYTFL-IAGOWNOFSA-N 1 0 394.313 2.998 20 0 GFADRO Cc1c(I)cccc1C(=O)N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000601559520 565792297 /nfs/dbraw/zinc/79/22/97/565792297.db2.gz UDUDLXSSAYRULO-WFASDCNBSA-N 1 0 384.261 2.814 20 0 GFADRO C[N@@H+]1CCC[C@@H]1CNC(=O)Cc1ccc(Br)c(Br)c1 ZINC000628648119 565798217 /nfs/dbraw/zinc/79/82/17/565798217.db2.gz BIYXFQUWPGBNIO-LLVKDONJSA-N 1 0 390.119 2.965 20 0 GFADRO C[C@@H]1C[N@H+](C)[C@H](C)[C@@H](C)N1C(=O)c1cnc2ncc(Br)cc2c1 ZINC000650155298 565800711 /nfs/dbraw/zinc/80/07/11/565800711.db2.gz YBZYGGSCLZNXIN-IJLUTSLNSA-N 1 0 377.286 2.945 20 0 GFADRO CN(Cc1c(Cl)cccc1Cl)C(=O)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000672306848 565802053 /nfs/dbraw/zinc/80/20/53/565802053.db2.gz BLDGESZWTLKKAK-ZDUSSCGKSA-N 1 0 384.307 2.552 20 0 GFADRO C[NH+](C)CCCCC(=O)N[C@]1(CO)CCc2cc(Br)ccc2C1 ZINC000628682232 565802862 /nfs/dbraw/zinc/80/28/62/565802862.db2.gz NIQGNHJVJFLRDF-GOSISDBHSA-N 1 0 383.330 2.517 20 0 GFADRO CC(C)[NH+](CCNS(=O)(=O)Cc1ccccc1Br)C(C)C ZINC000672374176 565803750 /nfs/dbraw/zinc/80/37/50/565803750.db2.gz VEGSHKRBGCBSJP-UHFFFAOYSA-N 1 0 377.348 2.987 20 0 GFADRO CC[C@@H](C[NH+]1CCCC1)NS(=O)(=O)c1c(F)cccc1OC(F)(F)F ZINC000672389404 565806748 /nfs/dbraw/zinc/80/67/48/565806748.db2.gz CGRDFWHBVMBMSB-NSHDSACASA-N 1 0 384.395 2.877 20 0 GFADRO COc1ncc(Br)cc1CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC000628796346 565809295 /nfs/dbraw/zinc/80/92/95/565809295.db2.gz RADOZVBOSYAVRW-UHFFFAOYSA-N 1 0 384.318 2.981 20 0 GFADRO COc1ncc(Br)cc1CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC000628796655 565809857 /nfs/dbraw/zinc/80/98/57/565809857.db2.gz VLSADMDTLYOAET-UHFFFAOYSA-N 1 0 378.270 2.844 20 0 GFADRO Cc1cc(C(=O)NC[C@@H]2CCC[NH2+]C2)c(I)cc1Cl ZINC000602020553 565816086 /nfs/dbraw/zinc/81/60/86/565816086.db2.gz MGZCGUJZKHTRIV-SNVBAGLBSA-N 1 0 392.668 2.982 20 0 GFADRO Cc1oc(-c2ccc(Cl)c(Cl)c2)nc1C(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000629172087 565826863 /nfs/dbraw/zinc/82/68/63/565826863.db2.gz QRXJBZWRDFAAQF-GFCCVEGCSA-N 1 0 384.263 2.753 20 0 GFADRO Cc1ccc(I)c(C(=O)N[C@H]2C[C@@H]([NH+]3CCCC3)C2)c1 ZINC000602166243 565828004 /nfs/dbraw/zinc/82/80/04/565828004.db2.gz FOGLOVBALYYNKV-BETUJISGSA-N 1 0 384.261 2.956 20 0 GFADRO C[C@@H]1[C@H](NC(=O)CCn2cc(Br)cn2)CC[N@@H+]1Cc1ccccc1 ZINC000673322122 565831124 /nfs/dbraw/zinc/83/11/24/565831124.db2.gz VXFPEGXCPXCOSU-RHSMWYFYSA-N 1 0 391.313 2.815 20 0 GFADRO CCOCCC[N@@H+]1CC[C@@H](NS(=O)(=O)Cc2cccc(Cl)c2)[C@@H](C)C1 ZINC000673563590 565841367 /nfs/dbraw/zinc/84/13/67/565841367.db2.gz JSMHBUZHQXZRFE-MAUKXSAKSA-N 1 0 388.961 2.896 20 0 GFADRO CN(CC[NH+]1CCCCC1)C(=O)NCCCCn1cc(Br)cn1 ZINC000651070168 565844426 /nfs/dbraw/zinc/84/44/26/565844426.db2.gz VLDKGHZQOGOYNI-UHFFFAOYSA-N 1 0 386.338 2.553 20 0 GFADRO C[C@@H](Cc1ccc(Br)cc1)NC(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000673868956 565851380 /nfs/dbraw/zinc/85/13/80/565851380.db2.gz JXMFHDBSKVGYGJ-ZDUSSCGKSA-N 1 0 394.317 2.960 20 0 GFADRO CN(Cc1cnn2cc(Br)cnc12)Cc1ccc([S@](C)=O)cc1 ZINC000602485958 565851623 /nfs/dbraw/zinc/85/16/23/565851623.db2.gz OOVWRSZYLRFISC-QHCPKHFHSA-N 1 0 393.310 2.861 20 0 GFADRO C[C@@H]1CC[C@@H](NC(=O)CCC[S@](=O)c2ccc(Br)cc2)C[NH2+]1 ZINC000602555399 565855030 /nfs/dbraw/zinc/85/50/30/565855030.db2.gz PULWXTPPQZZLST-OQQHHNTDSA-N 1 0 387.343 2.594 20 0 GFADRO COC1CCN(CC[NH2+]Cc2ccc(I)s2)CC1 ZINC000602586398 565856583 /nfs/dbraw/zinc/85/65/83/565856583.db2.gz BISXNJCUKFKPBJ-UHFFFAOYSA-N 1 0 380.295 2.553 20 0 GFADRO CN(Cc1ccc(Br)cc1F)C(=O)c1cnn2c1[C@@H](C[NH3+])CCC2 ZINC000602578661 565856724 /nfs/dbraw/zinc/85/67/24/565856724.db2.gz PDJMAZSVIWIZEK-LLVKDONJSA-N 1 0 395.276 2.893 20 0 GFADRO [NH3+]C[C@@H]1CN([C@@H]2CCN(c3ccccc3Cl)C2=O)CC[C@H]1C(F)(F)F ZINC000629564413 565858811 /nfs/dbraw/zinc/85/88/11/565858811.db2.gz UGSYVDCHUKORBR-LALPHHSUSA-N 1 0 375.822 2.904 20 0 GFADRO Cc1ccc(S(=O)(=O)CCCN2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1 ZINC000629561917 565859368 /nfs/dbraw/zinc/85/93/68/565859368.db2.gz KLYMXOJNJBCENQ-GOEBONIOSA-N 1 0 378.460 2.618 20 0 GFADRO OCCC[N@@H+]1CCC[C@H]1CNc1ncc(Br)c2ccc(F)cc21 ZINC000651354031 565860043 /nfs/dbraw/zinc/86/00/43/565860043.db2.gz DYKGHBQQKSYDHH-ZDUSSCGKSA-N 1 0 382.277 3.395 20 0 GFADRO COC(=O)c1csc(C[NH2+][C@@H]2CCCN(C(=O)CCC(F)(F)F)C2)c1 ZINC000602652783 565860791 /nfs/dbraw/zinc/86/07/91/565860791.db2.gz GIHQPPQCYKJKGI-GFCCVEGCSA-N 1 0 378.416 2.958 20 0 GFADRO [NH3+]C[C@@H]1CCCN(CC(=O)NCCc2ccc(Cl)cc2)[C@@H]1C(F)(F)F ZINC000629583919 565860842 /nfs/dbraw/zinc/86/08/42/565860842.db2.gz LKJGUAOCPUKVCU-BBRMVZONSA-N 1 0 377.838 2.600 20 0 GFADRO C[C@H]([NH2+]CCn1cc(Br)ccc1=O)c1ccc2[nH]c(=O)oc2c1 ZINC000651374188 565860976 /nfs/dbraw/zinc/86/09/76/565860976.db2.gz QEKLUOJJOKQJEY-JTQLQIEISA-N 1 0 378.226 2.808 20 0 GFADRO O[C@@H]1C[C@@H]([C@H]2CCCOC2)[N@H+](Cc2ccc(I)s2)C1 ZINC000602678084 565862118 /nfs/dbraw/zinc/86/21/18/565862118.db2.gz BRJFDTHFNOGTKO-LOWVWBTDSA-N 1 0 393.290 2.715 20 0 GFADRO COc1ncc(Br)cc1C[NH2+]C[C@H](O)COCc1ccccc1 ZINC000629592628 565861807 /nfs/dbraw/zinc/86/18/07/565861807.db2.gz AAVTWOURGZWXBI-INIZCTEOSA-N 1 0 381.270 2.520 20 0 GFADRO OCCOC1(C[NH2+]C[C@H](O)Cc2cccc(Cl)c2)CCC(F)(F)CC1 ZINC000629590728 565861879 /nfs/dbraw/zinc/86/18/79/565861879.db2.gz JXFJLQRTPCKZTQ-MRXNPFEDSA-N 1 0 377.859 2.790 20 0 GFADRO COC1CC[NH+](CCNC(=O)[C@@H](C)Oc2cc(Cl)cc(Cl)c2)CC1 ZINC000674311347 565867377 /nfs/dbraw/zinc/86/73/77/565867377.db2.gz CLIUDOPVKSGRIN-GFCCVEGCSA-N 1 0 375.296 2.988 20 0 GFADRO Cc1ncc(CNC(=O)CC[N@@H+](C)[C@H](C)c2ccc([S@](C)=O)cc2)s1 ZINC000602784939 565868280 /nfs/dbraw/zinc/86/82/80/565868280.db2.gz UHGPKCSUIRYPJX-SHZVTRLKSA-N 1 0 379.551 2.888 20 0 GFADRO COC1CC[NH+](CCNC(=O)N[C@H]2COc3c2ccc(Cl)c3Cl)CC1 ZINC000674333609 565868625 /nfs/dbraw/zinc/86/86/25/565868625.db2.gz ZNSHPECXFWILAY-AWEZNQCLSA-N 1 0 388.295 2.837 20 0 GFADRO C[C@@H](C(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1)c1cncnc1 ZINC000629973295 565878285 /nfs/dbraw/zinc/87/82/85/565878285.db2.gz NPGQGTLCAPRPDZ-CQSZACIVSA-N 1 0 391.313 2.933 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)NCC1([NH2+]C)CCC1 ZINC000630001137 565879695 /nfs/dbraw/zinc/87/96/95/565879695.db2.gz XBRVATIDAUUBOH-CQSZACIVSA-N 1 0 384.567 2.609 20 0 GFADRO O[C@H](C[N@@H+]1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1)CC1(O)CCOCC1 ZINC000630036663 565880923 /nfs/dbraw/zinc/88/09/23/565880923.db2.gz GVVKCEWUWQQSRI-DZGCQCFKSA-N 1 0 390.307 2.739 20 0 GFADRO O=C(C[NH2+][C@H]1CCCn2nccc21)Nc1ccccc1I ZINC000603027699 565881398 /nfs/dbraw/zinc/88/13/98/565881398.db2.gz MVFAZLFQWSTQAJ-ZDUSSCGKSA-N 1 0 396.232 2.551 20 0 GFADRO O=C(C[NH2+][C@H]1CCCn2nccc21)Nc1cccc(I)c1 ZINC000603027722 565881582 /nfs/dbraw/zinc/88/15/82/565881582.db2.gz NFUSWAWFBODRSE-ZDUSSCGKSA-N 1 0 396.232 2.551 20 0 GFADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)N1CCC[C@H]1c1ccccc1Br ZINC000674779313 565882354 /nfs/dbraw/zinc/88/23/54/565882354.db2.gz YICLADJSCRLDQT-PBHICJAKSA-N 1 0 395.345 2.541 20 0 GFADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCOc4ccc(Br)cc43)[C@H]2C1 ZINC000651683213 565885549 /nfs/dbraw/zinc/88/55/49/565885549.db2.gz UNZNHDMUCCBCBY-XPKDYRNWSA-N 1 0 379.298 2.868 20 0 GFADRO Cc1cc(NC(=O)[C@@H](C)n2cc(CSCC[NH3+])nn2)ccc1Br ZINC000603195020 565888764 /nfs/dbraw/zinc/88/87/64/565888764.db2.gz SGHAOGZTMTVMCA-LLVKDONJSA-N 1 0 398.330 2.741 20 0 GFADRO CO[C@@H](CS(=O)(=O)NC[C@@H](C[NH+](C)C)c1ccc(Cl)cc1)C(C)C ZINC000651764848 565890795 /nfs/dbraw/zinc/89/07/95/565890795.db2.gz QKSLTVDSABZUGC-RDJZCZTQSA-N 1 0 376.950 2.576 20 0 GFADRO CC[NH+]1CCN(c2ccc(Cl)cc2NS(=O)(=O)CCCCF)CC1 ZINC000675101806 565891266 /nfs/dbraw/zinc/89/12/66/565891266.db2.gz ZWKYXAQWOLSDRN-UHFFFAOYSA-N 1 0 377.913 2.973 20 0 GFADRO CSc1ncc(Cl)c(C(=O)N2C[C@H](C[NH+](C)C)Oc3ccccc32)n1 ZINC000675511656 565907888 /nfs/dbraw/zinc/90/78/88/565907888.db2.gz QIPFMPYYULQQRP-NSHDSACASA-N 1 0 378.885 2.821 20 0 GFADRO C[C@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH2+][C@H]1C[C@@H](C(N)=O)C1 ZINC000651980714 565908528 /nfs/dbraw/zinc/90/85/28/565908528.db2.gz DGSVBTGXIBYWSF-KKZNHRDASA-N 1 0 377.794 2.929 20 0 GFADRO O[C@@H]1CC[N@@H+](C2CN(Cc3ccc(OC(F)(F)F)c(Br)c3)C2)C1 ZINC000651977245 565908795 /nfs/dbraw/zinc/90/87/95/565908795.db2.gz AJGCJLCUGKTMJD-GFCCVEGCSA-N 1 0 395.219 2.599 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CC[NH2+]C[C@H]1CNc2ccnn2C1 ZINC000603516523 565910197 /nfs/dbraw/zinc/91/01/97/565910197.db2.gz AWRVAOYEESHQBL-ZDUSSCGKSA-N 1 0 392.301 2.614 20 0 GFADRO CCN1C[C@@H](C[NH2+][C@@H](C)CC(=O)Nc2cccc(Br)c2)CC1=O ZINC000652016440 565911748 /nfs/dbraw/zinc/91/17/48/565911748.db2.gz ZVKBGQMQGUUXNT-QWHCGFSZSA-N 1 0 382.302 2.624 20 0 GFADRO C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CC[C@]1(O)CCCOC1 ZINC000652045782 565912890 /nfs/dbraw/zinc/91/28/90/565912890.db2.gz FTFMYSGAEYSKHR-SUMWQHHRSA-N 1 0 385.302 2.687 20 0 GFADRO C[C@H]1C[C@@H]([NH2+]CCCN(C)S(C)(=O)=O)c2cccc(Br)c21 ZINC000675746165 565914016 /nfs/dbraw/zinc/91/40/16/565914016.db2.gz CYXWCIFFEDVEIB-SMDDNHRTSA-N 1 0 375.332 2.869 20 0 GFADRO C[C@@H](Cc1cccs1)[NH2+]Cc1ccc(S(=O)(=O)N2CCOCC2)s1 ZINC000675744364 565914041 /nfs/dbraw/zinc/91/40/41/565914041.db2.gz RRPKXWSQSWIDDU-ZDUSSCGKSA-N 1 0 386.564 2.551 20 0 GFADRO CC(C)C[C@H]([NH2+]CCN1CCN(S(C)(=O)=O)CC1)c1ccc(Cl)cc1 ZINC000675819410 565916484 /nfs/dbraw/zinc/91/64/84/565916484.db2.gz NEOCZHFTNFXCHF-SFHVURJKSA-N 1 0 387.977 2.594 20 0 GFADRO C[C@H](C(=O)N(C)CC(=O)Nc1ccc(Br)cn1)[NH+]1CCCCCC1 ZINC000603832014 565917337 /nfs/dbraw/zinc/91/73/37/565917337.db2.gz QDKQEBQLGCCBGL-CYBMUJFWSA-N 1 0 397.317 2.506 20 0 GFADRO C[C@@]1(c2cccc(Br)c2)C[C@H]1C(=O)NCCCC[NH+]1CCOCC1 ZINC000630751012 565917977 /nfs/dbraw/zinc/91/79/77/565917977.db2.gz KSTPIIGCRAJPMW-HKUYNNGSSA-N 1 0 395.341 2.955 20 0 GFADRO C[C@@H](Oc1ccc(Cl)cc1Cl)[C@H](C)[NH2+][C@@H]1CCN(S(C)(=O)=O)C1 ZINC000652242462 565919230 /nfs/dbraw/zinc/91/92/30/565919230.db2.gz UZVWZPJOXCBWNY-DMDPSCGWSA-N 1 0 381.325 2.773 20 0 GFADRO COCC[NH+]1CCC(NC(=O)[C@@H]2[C@@H]3Cc4cc(Br)ccc4[C@@H]32)CC1 ZINC000630833488 565922661 /nfs/dbraw/zinc/92/26/61/565922661.db2.gz STCZMAPQDBPXSV-FGTMMUONSA-N 1 0 393.325 2.562 20 0 GFADRO Cc1cc(Br)sc1S(=O)(=O)N1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000652372400 565924217 /nfs/dbraw/zinc/92/42/17/565924217.db2.gz JNPLOZKNQFMKDQ-GDPRMGEGSA-N 1 0 381.361 2.813 20 0 GFADRO Cc1cc(S(=O)(=O)N2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)sc1Cl ZINC000652374187 565925311 /nfs/dbraw/zinc/92/53/11/565925311.db2.gz LFYODYKYBJLYAU-RWMBFGLXSA-N 1 0 378.947 2.617 20 0 GFADRO Cc1cc(Br)c(S(=O)(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)s1 ZINC000652376529 565925805 /nfs/dbraw/zinc/92/58/05/565925805.db2.gz RHCMARNSISGMFC-GWCFXTLKSA-N 1 0 379.345 2.569 20 0 GFADRO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCN(S(=O)(=O)c3cccc(Cl)c3Cl)C2)C1 ZINC000652374943 565925839 /nfs/dbraw/zinc/92/58/39/565925839.db2.gz DXXABEPKIHMRDF-YRGRVCCFSA-N 1 0 393.336 2.900 20 0 GFADRO O=S(=O)(NCCC1CC[NH2+]CC1)c1ccc(Br)c(Cl)c1 ZINC000652385190 565927606 /nfs/dbraw/zinc/92/76/06/565927606.db2.gz LFTRXYZXGGIKEG-UHFFFAOYSA-N 1 0 381.723 2.771 20 0 GFADRO C[C@@H](NC(=O)c1cc(F)ccc1I)C1CC[NH+](C)CC1 ZINC000604562766 565932847 /nfs/dbraw/zinc/93/28/47/565932847.db2.gz NMIUGTIOABRBTJ-SNVBAGLBSA-N 1 0 390.240 2.890 20 0 GFADRO COc1cc(Br)c(NC(=O)NCCC2CC[NH2+]CC2)cc1OC ZINC000652571627 565933728 /nfs/dbraw/zinc/93/37/28/565933728.db2.gz DEQMJVYQJSZICK-UHFFFAOYSA-N 1 0 386.290 2.978 20 0 GFADRO COc1ccc(Br)c(CNC(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)c1 ZINC000604642127 565934086 /nfs/dbraw/zinc/93/40/86/565934086.db2.gz KAHMMKAJVWMNCL-CYBMUJFWSA-N 1 0 384.318 2.941 20 0 GFADRO Cc1scc(C[NH2+]Cc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1C ZINC000631035045 565935751 /nfs/dbraw/zinc/93/57/51/565935751.db2.gz INVSGYLAZMHXNA-UHFFFAOYSA-N 1 0 380.535 2.676 20 0 GFADRO CC[C@H](C[NH+]1CCCC1)NS(=O)(=O)c1cccc(C)c1Br ZINC000676416671 565936444 /nfs/dbraw/zinc/93/64/44/565936444.db2.gz XQIBWJQFKQFQFE-CYBMUJFWSA-N 1 0 375.332 2.910 20 0 GFADRO CC[N@H+](CCNS(=O)(=O)c1cc(C)c(Br)cc1C)C1CC1 ZINC000604887865 565939891 /nfs/dbraw/zinc/93/98/91/565939891.db2.gz XMCYGIJZSFZKGB-UHFFFAOYSA-N 1 0 375.332 2.829 20 0 GFADRO NS(=O)(=O)c1cccc(F)c1NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000631084328 565940456 /nfs/dbraw/zinc/94/04/56/565940456.db2.gz AGZHSIHBOFQKQM-CYBMUJFWSA-N 1 0 383.514 2.859 20 0 GFADRO O=C(c1cc(Cl)cc(Br)c1)N1CCN([C@H]2CCC[C@@H]2O)CC1 ZINC000676575142 565942413 /nfs/dbraw/zinc/94/24/13/565942413.db2.gz VAESPYIYBZTVGR-GJZGRUSLSA-N 1 0 387.705 2.774 20 0 GFADRO NS(=O)(=O)c1cc(C[NH2+]C[C@H]2CSc3ccccc3O2)ccc1Cl ZINC000631166478 565945810 /nfs/dbraw/zinc/94/58/10/565945810.db2.gz UIFIUYWMKXPNRS-LBPRGKRZSA-N 1 0 384.910 2.630 20 0 GFADRO CC(C)[C@@H](O)[C@@H]([NH2+]Cc1ccc(Cl)c(S(N)(=O)=O)c1)c1ccccc1 ZINC000631179191 565946769 /nfs/dbraw/zinc/94/67/69/565946769.db2.gz ZTUAXNYTASKFPG-ZWKOTPCHSA-N 1 0 382.913 2.835 20 0 GFADRO O[C@@H]1CC[N@H+](Cc2ccc(CNCc3ccncc3Br)cc2)C1 ZINC000631172218 565947024 /nfs/dbraw/zinc/94/70/24/565947024.db2.gz JEYUNSNGLMIHGU-QGZVFWFLSA-N 1 0 376.298 2.701 20 0 GFADRO C[C@H](NC(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O)c1cccc(Cl)c1Cl ZINC000605174973 565948187 /nfs/dbraw/zinc/94/81/87/565948187.db2.gz WZXJJDPFNNEAFK-FZMZJTMJSA-N 1 0 387.311 2.693 20 0 GFADRO CNS(=O)(=O)CCC[NH2+]Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000631229040 565949934 /nfs/dbraw/zinc/94/99/34/565949934.db2.gz GFJDYVJUHOKELS-UHFFFAOYSA-N 1 0 393.456 2.858 20 0 GFADRO C[C@H](C[NH2+]Cc1cc(C(F)(F)F)nn1C)c1ccc(S(C)(=O)=O)cc1 ZINC000631270515 565950802 /nfs/dbraw/zinc/95/08/02/565950802.db2.gz SPLUPYPIGXVVFN-LLVKDONJSA-N 1 0 375.416 2.736 20 0 GFADRO Cc1nc(-c2cccs2)c(CC(=O)NCCC[NH+]2CCC(O)CC2)s1 ZINC000605541176 565953455 /nfs/dbraw/zinc/95/34/55/565953455.db2.gz NAXQDYQMADFWKX-UHFFFAOYSA-N 1 0 379.551 2.686 20 0 GFADRO Cc1c(Cl)cccc1-n1ccnc1SCC(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000653142758 565956113 /nfs/dbraw/zinc/95/61/13/565956113.db2.gz WJENHAWPAAQKEF-STQMWFEESA-N 1 0 382.892 2.742 20 0 GFADRO O=C(NCC[NH+]1CCC1)[C@@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000676949297 565956122 /nfs/dbraw/zinc/95/61/22/565956122.db2.gz YAICHEWUBVILKB-CQSZACIVSA-N 1 0 384.307 2.668 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)[C@@H]3CCOc4ccc(Br)cc43)C[C@@H]21 ZINC000653129510 565956467 /nfs/dbraw/zinc/95/64/67/565956467.db2.gz YCTWWIIVPPCWFB-XABYNWHXSA-N 1 0 379.298 2.901 20 0 GFADRO C[C@@H]1CCCN(C(=O)c2cc(Br)c3c(c2)OCCO3)[C@@H]1CC[NH3+] ZINC000653238499 565959787 /nfs/dbraw/zinc/95/97/87/565959787.db2.gz QTIXOTQBBCIQRB-BXUZGUMPSA-N 1 0 383.286 2.810 20 0 GFADRO CCO[C@@H]1CN(C(=O)c2cc(Cl)cc(Br)c2F)C[C@H]1C[NH3+] ZINC000653248506 565960767 /nfs/dbraw/zinc/96/07/67/565960767.db2.gz UWWFSFFMGPOITC-PRHODGIISA-N 1 0 379.657 2.677 20 0 GFADRO O=C(NCCC1CC[NH2+]CC1)c1cc(=O)[nH]c2c(Br)cccc12 ZINC000653271053 565961242 /nfs/dbraw/zinc/96/12/42/565961242.db2.gz LTMZFWGDEMUTJF-UHFFFAOYSA-N 1 0 378.270 2.822 20 0 GFADRO C[C@@H]1C[C@H]([NH3+])CCN1S(=O)(=O)Cc1ccc(Br)cc1Cl ZINC000653279108 565961422 /nfs/dbraw/zinc/96/14/22/565961422.db2.gz FORJTMVSNGDDAU-BXKDBHETSA-N 1 0 381.723 2.744 20 0 GFADRO CC[N@@H+]1CCN(C(=O)C[C@H](NC(C)=O)c2ccc(Br)cc2)C[C@H]1C ZINC000677176253 565962243 /nfs/dbraw/zinc/96/22/43/565962243.db2.gz FDYJFTUDVSIUGR-DYVFJYSZSA-N 1 0 396.329 2.569 20 0 GFADRO O=C(CCN1CC[NH+](C[C@@H]2CCCO2)CC1)Nc1ccccc1Br ZINC000606430688 565963256 /nfs/dbraw/zinc/96/32/56/565963256.db2.gz MWLACPBQASROCR-HNNXBMFYSA-N 1 0 396.329 2.574 20 0 GFADRO Cc1ccc([C@@H](CNC(=O)NCc2n[nH]cc2Br)[NH+]2CCCC2)o1 ZINC000606497229 565965960 /nfs/dbraw/zinc/96/59/60/565965960.db2.gz VRGWKKWUTGKRCS-CQSZACIVSA-N 1 0 396.289 2.710 20 0 GFADRO O=C(NCc1n[nH]cc1Br)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000606506189 565967578 /nfs/dbraw/zinc/96/75/78/565967578.db2.gz VOKOSKMSZTXVSI-CQSZACIVSA-N 1 0 392.301 2.636 20 0 GFADRO CC(C)[C@H]([NH2+][C@H](C)Cn1cc(Br)ccc1=O)[C@H](O)C(F)(F)F ZINC000631717476 565970045 /nfs/dbraw/zinc/97/00/45/565970045.db2.gz QASGCKDIOMZCRM-ICCXJUOJSA-N 1 0 385.224 2.537 20 0 GFADRO OC[C@@H]([NH2+]C[C@@H]1CN(c2ccccc2)CCO1)c1ccc(Br)cc1 ZINC000653611896 565973412 /nfs/dbraw/zinc/97/34/12/565973412.db2.gz RVPICXVJZWJITP-RTBURBONSA-N 1 0 391.309 2.978 20 0 GFADRO O=C(CCc1cc(Br)ccc1F)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000677541486 565976785 /nfs/dbraw/zinc/97/67/85/565976785.db2.gz RUEGLGRBGZRWNF-DLBZAZTESA-N 1 0 399.304 2.578 20 0 GFADRO NC(=O)[C@H](c1ccc(Br)cc1F)N1C[C@@H](C[NH3+])Cc2ccccc21 ZINC000631893507 565981177 /nfs/dbraw/zinc/98/11/77/565981177.db2.gz SSGWDVYRFAUQMM-DIFFPNOSSA-N 1 0 392.272 2.752 20 0 GFADRO O=S(=O)(c1ccc(C(F)(F)C(F)(F)F)cc1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000631939207 565984471 /nfs/dbraw/zinc/98/44/71/565984471.db2.gz VEVRGDMTNKNAOS-GWCFXTLKSA-N 1 0 384.370 2.713 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)CS(=O)(=O)Cc2ccc(Cl)s2)[C@H](C)C1 ZINC000607521376 565985392 /nfs/dbraw/zinc/98/53/92/565985392.db2.gz PDICIZXDPQNOJX-TZMCWYRMSA-N 1 0 392.974 2.505 20 0 GFADRO O=C(NCCN1C[C@H]2CC[C@@H](C1)O2)c1[nH]c2ccccc2c1Br ZINC000653866735 565986538 /nfs/dbraw/zinc/98/65/38/565986538.db2.gz APVJVDSLCUZHSL-TXEJJXNPSA-N 1 0 378.270 2.523 20 0 GFADRO OCC1([NH2+]C[C@@H](O)COc2ccc(Cl)c(Cl)c2)Cc2ccccc2C1 ZINC000607753859 565988598 /nfs/dbraw/zinc/98/85/98/565988598.db2.gz ZSRGNLKUFMZVKV-OAHLLOKOSA-N 1 0 382.287 2.853 20 0 GFADRO COc1ccc(S(=O)(=O)N2CCC[C@H]3C[NH2+]CC[C@@H]32)c(Cl)c1Cl ZINC000631994672 565989581 /nfs/dbraw/zinc/98/95/81/565989581.db2.gz PMLNMOHSSJBBFC-QWRGUYRKSA-N 1 0 379.309 2.765 20 0 GFADRO O=S(=O)(c1cc(Br)sc1Cl)N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631994523 565989980 /nfs/dbraw/zinc/98/99/80/565989980.db2.gz NNXHDMOEMKVCNY-BDAKNGLRSA-N 1 0 399.763 2.927 20 0 GFADRO Cc1ccc(Br)cc1C(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000607906977 565992134 /nfs/dbraw/zinc/99/21/34/565992134.db2.gz YNVVFQWINKDEMZ-KRWDZBQOSA-N 1 0 394.357 2.998 20 0 GFADRO COc1cc(Br)cc(NC(=O)NCC[NH+]2CCC(OC)CC2)c1 ZINC000678015758 565993116 /nfs/dbraw/zinc/99/31/16/565993116.db2.gz PLONOVVKNWGEED-UHFFFAOYSA-N 1 0 386.290 2.690 20 0 GFADRO Cc1ccc(C[C@H](CO)CNC(=O)[C@H]2CCCC[N@H+]2C)cc1Br ZINC000654074144 565994846 /nfs/dbraw/zinc/99/48/46/565994846.db2.gz VATIQFDANGZRCH-DOTOQJQBSA-N 1 0 383.330 2.509 20 0 GFADRO CCn1c(SCC(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)nnc1-c1cccs1 ZINC000654070924 565995276 /nfs/dbraw/zinc/99/52/76/565995276.db2.gz IDIMVMYKZMYCIA-BETUJISGSA-N 1 0 379.555 2.575 20 0 GFADRO CS(=O)(=O)Nc1cccc(C[NH2+][C@H](CO)c2ccc(Br)cc2)c1 ZINC000678079727 565996869 /nfs/dbraw/zinc/99/68/69/565996869.db2.gz WFFZQENTJPAARA-MRXNPFEDSA-N 1 0 399.310 2.644 20 0 GFADRO C[N@@H+]1CCC[C@H](NC(=O)[C@H](c2ccc(Cl)cc2Cl)N2CCOCC2)C1 ZINC000608127273 566004893 /nfs/dbraw/zinc/00/48/93/566004893.db2.gz WYXLKXKNGJNPML-YOEHRIQHSA-N 1 0 386.323 2.577 20 0 GFADRO C[C@H](NC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)c1cc(F)c(Cl)cc1Cl ZINC000654352035 566007677 /nfs/dbraw/zinc/00/76/77/566007677.db2.gz VQPNNHRBWLDWFO-GARJFASQSA-N 1 0 376.259 2.654 20 0 GFADRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)N1CCOc2cccc(Br)c2C1 ZINC000654381366 566007838 /nfs/dbraw/zinc/00/78/38/566007838.db2.gz KIAAWOJLRJVTKM-ZDUSSCGKSA-N 1 0 394.313 2.837 20 0 GFADRO CC[N@@H+]1C[C@H](C)N(C(=O)c2ccc3cncc(Br)c3n2)C[C@@H]1C ZINC000632216357 566010143 /nfs/dbraw/zinc/01/01/43/566010143.db2.gz GEHDQLREMYFDEG-RYUDHWBXSA-N 1 0 377.286 2.947 20 0 GFADRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)N[C@H]2CCOc3c(Br)cccc32)C1 ZINC000654556016 566014746 /nfs/dbraw/zinc/01/47/46/566014746.db2.gz SGJOUNXHWRNFIQ-ZOWXZIJZSA-N 1 0 382.302 2.912 20 0 GFADRO C[C@@H](CNC(=O)N[C@@H]1CC[N@H+](CC2CC2)C1)Oc1ccc(Br)cc1 ZINC000608437994 566014908 /nfs/dbraw/zinc/01/49/08/566014908.db2.gz VURYJORWLMXIRQ-XJKSGUPXSA-N 1 0 396.329 3.000 20 0 GFADRO C[C@@H](C(=O)N1CCN(C(=O)c2c(Cl)cccc2Cl)CC1)[NH+]1CC(C)C1 ZINC000654567584 566016246 /nfs/dbraw/zinc/01/62/46/566016246.db2.gz QPABQWLSINXQEW-ZDUSSCGKSA-N 1 0 384.307 2.618 20 0 GFADRO CN(CC[N@H+](C)C1CCN(C)CC1)Cc1cn2cc(Br)ccc2n1 ZINC000678719212 566017402 /nfs/dbraw/zinc/01/74/02/566017402.db2.gz DGCTUXWJJXFAJW-UHFFFAOYSA-N 1 0 394.361 2.555 20 0 GFADRO C[NH+](C)CCn1ccc(C(=O)NCCCc2cccc(Br)c2)n1 ZINC000654762238 566021004 /nfs/dbraw/zinc/02/10/04/566021004.db2.gz LJKXRVOMHHYNJS-UHFFFAOYSA-N 1 0 379.302 2.570 20 0 GFADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc4cncc(Br)c4n3)[C@H]2C1 ZINC000632337390 566022868 /nfs/dbraw/zinc/02/28/68/566022868.db2.gz NVZPYTNACPJPMK-ABAIWWIYSA-N 1 0 375.270 2.559 20 0 GFADRO CN(CCC[N@H+](C)Cc1ccco1)S(=O)(=O)c1onc(C2CC2)c1Cl ZINC000632335448 566022899 /nfs/dbraw/zinc/02/28/99/566022899.db2.gz JPKJFVRVGRWDOQ-UHFFFAOYSA-N 1 0 387.889 2.941 20 0 GFADRO O=S1(=O)CC[C@]2(C1)C[C@H]([NH2+]Cc1c(Cl)cccc1OC(F)F)CCO2 ZINC000678969950 566026651 /nfs/dbraw/zinc/02/66/51/566026651.db2.gz TUADMCYNQLSHQV-BDJLRTHQSA-N 1 0 395.855 2.767 20 0 GFADRO CC(C)(CO)[NH+]1CCN(C(=O)CCCc2cccc(Br)c2)CC1 ZINC000679317667 566036136 /nfs/dbraw/zinc/03/61/36/566036136.db2.gz VDLLEGWXYUGIML-UHFFFAOYSA-N 1 0 383.330 2.687 20 0 GFADRO CN1CCN(C)[C@H](C[NH2+][C@@H](c2ccc(Br)cc2)[C@H]2CCCO2)C1 ZINC000679341643 566038409 /nfs/dbraw/zinc/03/84/09/566038409.db2.gz URYXAOCOPPEEBV-KURKYZTESA-N 1 0 382.346 2.505 20 0 GFADRO C[C@@H](CNC(=O)c1c[nH]c2ncc(Br)cc12)N1C[C@@H](C)O[C@@H](C)C1 ZINC000655241372 566047839 /nfs/dbraw/zinc/04/78/39/566047839.db2.gz KIBQXUGPPWIYAT-SDDRHHMPSA-N 1 0 395.301 2.553 20 0 GFADRO CC[N@@H+](CC(=O)Nc1ccccc1I)C[C@H]1CCOC1 ZINC000609631768 566048174 /nfs/dbraw/zinc/04/81/74/566048174.db2.gz WACCZDCJMZRTKM-GFCCVEGCSA-N 1 0 388.249 2.588 20 0 GFADRO COc1cc(Br)ccc1CN1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000679768595 566052243 /nfs/dbraw/zinc/05/22/43/566052243.db2.gz DJBWYYQLQMSCPZ-QGZVFWFLSA-N 1 0 382.346 2.670 20 0 GFADRO CCC1([NH+]2CCCC2)CCN(S(=O)(=O)c2cnc(OC)c(Cl)c2)CC1 ZINC000632640274 566053616 /nfs/dbraw/zinc/05/36/16/566053616.db2.gz LDMLMBKEVNWCDW-UHFFFAOYSA-N 1 0 387.933 2.773 20 0 GFADRO CCC1([NH+](C)C)CCN(S(=O)(=O)c2ccccc2Br)CC1 ZINC000632658990 566055639 /nfs/dbraw/zinc/05/56/39/566055639.db2.gz QGRRJENSRGUVII-UHFFFAOYSA-N 1 0 375.332 2.944 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CNS(=O)(=O)Cc1cccc(Br)c1C ZINC000655463829 566057413 /nfs/dbraw/zinc/05/74/13/566057413.db2.gz YNFUEMUFNOGRAV-AWEZNQCLSA-N 1 0 375.332 2.661 20 0 GFADRO CO[C@@H](C(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2)c1ccccc1Br ZINC000655451155 566057469 /nfs/dbraw/zinc/05/74/69/566057469.db2.gz DBVGJNWFZHLTBT-YVEFUNNKSA-N 1 0 390.281 2.986 20 0 GFADRO O=C([C@@H]1C[C@H]1C1CC[NH2+]CC1)N1CCOc2cccc(Br)c2C1 ZINC000655503806 566060828 /nfs/dbraw/zinc/06/08/28/566060828.db2.gz JPBJMIUSZRPDRY-UONOGXRCSA-N 1 0 379.298 2.806 20 0 GFADRO O=S(=O)(c1c(Cl)ccc(F)c1F)N1CCCN(c2cc[nH+]cc2)CC1 ZINC000632721887 566061585 /nfs/dbraw/zinc/06/15/85/566061585.db2.gz RBPLDNKBHUZTPB-UHFFFAOYSA-N 1 0 387.839 2.914 20 0 GFADRO CC[C@@H]1[C@@H](C(=O)NCc2noc(-c3cccc(Br)c3)n2)CC[N@@H+]1C ZINC000632802657 566069103 /nfs/dbraw/zinc/06/91/03/566069103.db2.gz QRMFCYNXRAXREP-UONOGXRCSA-N 1 0 393.285 2.846 20 0 GFADRO C[C@@H](CC(=O)N1C[C@H](C[NH3+])Cc2ccccc21)n1cc(Br)cn1 ZINC000632869904 566072257 /nfs/dbraw/zinc/07/22/57/566072257.db2.gz RTFRBOZFTCNVGN-STQMWFEESA-N 1 0 377.286 2.761 20 0 GFADRO O=C([C@@H]1CCOc2ccc(Br)cc21)N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000632864476 566072527 /nfs/dbraw/zinc/07/25/27/566072527.db2.gz OXEKVROYTSWEMX-XNRPHZJLSA-N 1 0 379.298 2.916 20 0 GFADRO CC(C)Oc1cc(NC(=O)NC[C@H]2C[NH2+]CCCO2)ccc1Br ZINC000632961905 566077638 /nfs/dbraw/zinc/07/76/38/566077638.db2.gz VXAUOQMEPIBACC-CYBMUJFWSA-N 1 0 386.290 2.736 20 0 GFADRO C[C@H]1C[C@@H](NC(=O)N[C@@H]2[C@H]3Cc4cc(Br)ccc4[C@@H]23)CC[N@@H+]1C ZINC000633091213 566083771 /nfs/dbraw/zinc/08/37/71/566083771.db2.gz CAVWFLBWGSMHKC-FUENOYCASA-N 1 0 378.314 2.869 20 0 GFADRO Cc1nn(-c2ccccc2Br)cc1C[NH2+][C@H](C)CN1CCOCC1 ZINC000655711902 566084254 /nfs/dbraw/zinc/08/42/54/566084254.db2.gz JZSJEGPFLXWECT-CQSZACIVSA-N 1 0 393.329 2.754 20 0 GFADRO Cc1nn(-c2ccccc2Br)cc1C[NH2+]C[C@@H](O)C1CCOCC1 ZINC000655745549 566085065 /nfs/dbraw/zinc/08/50/65/566085065.db2.gz WRWRSLHSNUALNA-GOSISDBHSA-N 1 0 394.313 2.820 20 0 GFADRO Cc1ccc(-c2ncc(C[NH2+]C[C@H]3CCN(S(C)(=O)=O)C3)s2)cc1C ZINC000655752400 566086824 /nfs/dbraw/zinc/08/68/24/566086824.db2.gz MFLYFVYOEYFODP-OAHLLOKOSA-N 1 0 379.551 2.798 20 0 GFADRO CS(=O)(=O)N1CC[C@@H](C[NH2+]Cc2oc3ccccc3c2Br)C1 ZINC000655752344 566087381 /nfs/dbraw/zinc/08/73/81/566087381.db2.gz KRTSMMJXXZUNMB-NSHDSACASA-N 1 0 387.299 2.566 20 0 GFADRO Cc1nn(-c2cccc(Br)c2)cc1C[NH2+][C@@H](C)C(=O)NCCF ZINC000655769594 566088309 /nfs/dbraw/zinc/08/83/09/566088309.db2.gz LJHAOOSUXHLDAK-LBPRGKRZSA-N 1 0 383.265 2.507 20 0 GFADRO C[N@@H+]1CCC[C@@H](CCNC(=O)NCc2cc(Br)cc3c2OCC3)C1 ZINC000655806739 566090004 /nfs/dbraw/zinc/09/00/04/566090004.db2.gz YWIBRXHSCPWDPI-ZDUSSCGKSA-N 1 0 396.329 2.915 20 0 GFADRO C[C@H](c1ccccc1)[C@H](CO)[NH2+][C@H](C(N)=O)c1cccc(Br)c1 ZINC000680991415 566090733 /nfs/dbraw/zinc/09/07/33/566090733.db2.gz HSTYNTXSYHDTES-DQYPLSBCSA-N 1 0 377.282 2.730 20 0 GFADRO C[C@H]([NH2+]C[C@H]1CCC[C@@]12NC(=O)N(C)C2=O)c1nc(C(F)(F)F)cs1 ZINC000681054157 566092934 /nfs/dbraw/zinc/09/29/34/566092934.db2.gz LHSHMFVTOOHXAO-ATEUNZGCSA-N 1 0 376.404 2.533 20 0 GFADRO CN1CCC[C@@H]([NH2+]Cc2cc(Br)cc(Br)c2N)C1 ZINC000681113018 566094057 /nfs/dbraw/zinc/09/40/57/566094057.db2.gz UXDSFQBVOBMMOY-LLVKDONJSA-N 1 0 377.124 2.978 20 0 GFADRO COc1ccc([C@H](C)NC(=O)N[C@H](C[NH3+])C(F)(F)F)cc1Br ZINC000655913839 566094803 /nfs/dbraw/zinc/09/48/03/566094803.db2.gz VOZMEMGOVFEXQH-WRWORJQWSA-N 1 0 384.196 2.708 20 0 GFADRO CC[NH+]1CCC(CNS(=O)(=O)c2ccc(Br)cc2C)CC1 ZINC000681154269 566095528 /nfs/dbraw/zinc/09/55/28/566095528.db2.gz GCFSYAQPDSVYSR-UHFFFAOYSA-N 1 0 375.332 2.768 20 0 GFADRO CC(C)(COc1ncc(Cl)cc1Cl)NC(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000655922333 566096374 /nfs/dbraw/zinc/09/63/74/566096374.db2.gz PTNBXKXHVZBVCR-SECBINFHSA-N 1 0 389.205 2.735 20 0 GFADRO [NH3+]C[C@@H](NC(=O)NCCc1c[nH]c2cccc(Br)c12)C(F)(F)F ZINC000655931173 566096977 /nfs/dbraw/zinc/09/69/77/566096977.db2.gz WUSLUAOFAZGLNX-LLVKDONJSA-N 1 0 393.207 2.662 20 0 GFADRO C[N@H+](CCCCNC(=O)c1ccc2cncc(Br)c2n1)C1CC1 ZINC000633381148 566099096 /nfs/dbraw/zinc/09/90/96/566099096.db2.gz TVNNHMJCFZQQTP-UHFFFAOYSA-N 1 0 377.286 2.997 20 0 GFADRO COC(=O)[C@H](c1cc(Cl)cc(Cl)c1)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000610787695 566099742 /nfs/dbraw/zinc/09/97/42/566099742.db2.gz BYWSBSVOOMEVFK-ULQDDVLXSA-N 1 0 387.307 2.739 20 0 GFADRO CCn1nccc1C(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000681271051 566100626 /nfs/dbraw/zinc/10/06/26/566100626.db2.gz IBETZBXCJZIRGS-UHFFFAOYSA-N 1 0 379.302 2.870 20 0 GFADRO CN1CC[C@@H](C(=O)N(CCC[NH+](C)C)Cc2ccc(Cl)c(Cl)c2)C1=O ZINC000681514216 566110342 /nfs/dbraw/zinc/11/03/42/566110342.db2.gz LDIASYJAJXIROJ-CQSZACIVSA-N 1 0 386.323 2.752 20 0 GFADRO O=C(CNC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1)c1cc(Cl)ccc1F ZINC000633710178 566115926 /nfs/dbraw/zinc/11/59/26/566115926.db2.gz PTGXOSRKNAGJFL-CQSZACIVSA-N 1 0 384.904 2.996 20 0 GFADRO CNC(=O)[C@@H]1CCC[N@H+](Cc2cn(-c3ccccc3Br)nc2C)C1 ZINC000656251700 566117198 /nfs/dbraw/zinc/11/71/98/566117198.db2.gz KJJAUVWMZMYOCT-CQSZACIVSA-N 1 0 391.313 2.901 20 0 GFADRO CNC(=O)CCC[N@H+](C)Cc1cn(-c2cccc(Br)c2)nc1C ZINC000656253705 566117368 /nfs/dbraw/zinc/11/73/68/566117368.db2.gz SUDLODZHAWNNOI-UHFFFAOYSA-N 1 0 379.302 2.901 20 0 GFADRO CNC(=O)[C@]1(C)CC[N@H+](Cc2cn(-c3cccc(Br)c3)nc2C)C1 ZINC000656258691 566119111 /nfs/dbraw/zinc/11/91/11/566119111.db2.gz TVXDQXJQJXANSN-GOSISDBHSA-N 1 0 391.313 2.901 20 0 GFADRO COC[C@@]1(CO)CC[N@H+](Cc2cn(-c3ccccc3Br)nc2C)C1 ZINC000656261429 566120471 /nfs/dbraw/zinc/12/04/71/566120471.db2.gz ARIIKEUVYKPJQP-SFHVURJKSA-N 1 0 394.313 2.774 20 0 GFADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)NCc3nc4c(cccc4Br)[nH]3)[C@@H]2C1 ZINC000656275824 566122221 /nfs/dbraw/zinc/12/22/21/566122221.db2.gz WBLFEBMXGCIMPO-BXUZGUMPSA-N 1 0 392.301 2.561 20 0 GFADRO CC[N@@H+](C[C@@H](O)C(F)(F)F)C[C@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000681699312 566123642 /nfs/dbraw/zinc/12/36/42/566123642.db2.gz VSSPSULLFDNUDB-TVQRCGJNSA-N 1 0 376.202 2.978 20 0 GFADRO CC[N@@H+]1CCC[C@H](CNC(=O)c2cnc3ncc(Br)cc3c2)C1 ZINC000681981422 566135877 /nfs/dbraw/zinc/13/58/77/566135877.db2.gz NVJFHUNIBFUTCI-GFCCVEGCSA-N 1 0 377.286 2.854 20 0 GFADRO CC[NH+]1CCC(NC(=O)N(C)CCOc2ccc(Br)cc2)CC1 ZINC000611680118 566139543 /nfs/dbraw/zinc/13/95/43/566139543.db2.gz OUFIOWGVSMGYAP-UHFFFAOYSA-N 1 0 384.318 2.954 20 0 GFADRO CC1(C)CN(CC(=O)Nc2cc(Cl)c(Cl)cc2Cl)CC[N@@H+]1CCO ZINC000682034531 566140868 /nfs/dbraw/zinc/14/08/68/566140868.db2.gz HXIRLEROSRFNHY-UHFFFAOYSA-N 1 0 394.730 2.974 20 0 GFADRO C[C@H]1CN(C[C@H](O)COc2ccc(Cl)c(Cl)c2)CC[N@@H+]1CC(C)(C)O ZINC000682043183 566141562 /nfs/dbraw/zinc/14/15/62/566141562.db2.gz HPOFQZBBXWRGHQ-KBPBESRZSA-N 1 0 391.339 2.510 20 0 GFADRO C[NH+]1CCC(n2cc(NC(=O)COc3cccc(Br)c3)cn2)CC1 ZINC000634082696 566142707 /nfs/dbraw/zinc/14/27/07/566142707.db2.gz GRXGANAPURQBMV-UHFFFAOYSA-N 1 0 393.285 2.930 20 0 GFADRO OCCCOC1CC[NH+](CCOc2cc(F)cc(Br)c2)CC1 ZINC000682085236 566143182 /nfs/dbraw/zinc/14/31/82/566143182.db2.gz NGPYGRPPDWEUEN-UHFFFAOYSA-N 1 0 376.266 2.830 20 0 GFADRO C[NH+](C)C1(CNC(=O)[C@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)CCC1 ZINC000682168589 566145546 /nfs/dbraw/zinc/14/55/46/566145546.db2.gz LNACKWKUCFVHRO-CYBMUJFWSA-N 1 0 384.307 2.947 20 0 GFADRO Cc1ccc(NC(=O)C(=O)N[C@@H](C)C2CC[NH+](C)CC2)c(Br)c1 ZINC000682193220 566146584 /nfs/dbraw/zinc/14/65/84/566146584.db2.gz SXOZBGMWUOFYSB-LBPRGKRZSA-N 1 0 382.302 2.543 20 0 GFADRO Cc1cc(Br)oc1C(=O)Nc1cc(N2CC[NH+](C)CC2)ccn1 ZINC000634195296 566148651 /nfs/dbraw/zinc/14/86/51/566148651.db2.gz UJGGBVQHRBMYGD-UHFFFAOYSA-N 1 0 379.258 2.750 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N(C)CCCC[NH+](C)C)cc1Br ZINC000682279916 566148733 /nfs/dbraw/zinc/14/87/33/566148733.db2.gz LZGIDGISEJANKM-UHFFFAOYSA-N 1 0 384.318 2.805 20 0 GFADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)Nc1nc(-c2cccs2)cs1 ZINC000682271265 566149485 /nfs/dbraw/zinc/14/94/85/566149485.db2.gz ALPRUVZNJKRGTQ-LBPRGKRZSA-N 1 0 378.523 2.801 20 0 GFADRO CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)Nc2ccc(Br)cc2F)C1 ZINC000682352199 566150640 /nfs/dbraw/zinc/15/06/40/566150640.db2.gz LRZIXZGBZXGFMZ-LBPRGKRZSA-N 1 0 386.265 2.516 20 0 GFADRO CC(C)([NH3+])CC(=O)NC1CCN(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000634299060 566151201 /nfs/dbraw/zinc/15/12/01/566151201.db2.gz GPEIWAGBBNMYBP-UHFFFAOYSA-N 1 0 397.317 2.689 20 0 GFADRO Cc1ccc(Br)c(NC(=O)C(=O)N2CCC[C@H]([NH2+]C(C)C)C2)c1 ZINC000682353169 566151353 /nfs/dbraw/zinc/15/13/53/566151353.db2.gz VDOCLRSSOGTZAH-ZDUSSCGKSA-N 1 0 382.302 2.685 20 0 GFADRO CCO[C@H](CC[NH+](C)C)CNC(=O)c1ccc(Br)c(F)c1C ZINC000612100746 566151693 /nfs/dbraw/zinc/15/16/93/566151693.db2.gz BDJKCJCRNXHHQM-GFCCVEGCSA-N 1 0 375.282 2.983 20 0 GFADRO O=S1(=O)CC(CC[NH2+]Cc2cc(Cl)ccc2OCc2cccnc2)C1 ZINC000682474586 566156152 /nfs/dbraw/zinc/15/61/52/566156152.db2.gz KFDGLYVKXCKQKQ-UHFFFAOYSA-N 1 0 380.897 2.838 20 0 GFADRO C[C@H](NC(=O)c1cc(-c2cccc(Br)c2)no1)[C@H]1CN(C)CCO1 ZINC000612670895 566169336 /nfs/dbraw/zinc/16/93/36/566169336.db2.gz ODAYLERIMDRGDX-MEDUHNTESA-N 1 0 394.269 2.553 20 0 GFADRO [NH3+]C[C@H]1CCN(CC(=O)Nc2ccc(Br)cn2)c2ccccc21 ZINC000634690724 566171267 /nfs/dbraw/zinc/17/12/67/566171267.db2.gz ROUAGASMLYBOIW-GFCCVEGCSA-N 1 0 375.270 2.735 20 0 GFADRO C[C@](O)(C[C@H](O)C[NH2+][C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)C1CC1 ZINC000634709914 566171371 /nfs/dbraw/zinc/17/13/71/566171371.db2.gz PYTNXXQQLLNPOW-XCRHUMRWSA-N 1 0 387.307 2.600 20 0 GFADRO COC1([C@@H](C)[NH2+]C[C@H](O)COc2cc(Cl)cc(Cl)c2)CCOCC1 ZINC000634717865 566171570 /nfs/dbraw/zinc/17/15/70/566171570.db2.gz SHJZJCSFCCCSSK-DOMZBBRYSA-N 1 0 378.296 2.907 20 0 GFADRO C[NH+](C)C1(CNS(=O)(=O)Cc2cc(F)ccc2Br)CCCC1 ZINC000656875998 566172749 /nfs/dbraw/zinc/17/27/49/566172749.db2.gz XLFXSFXDMQYNAC-UHFFFAOYSA-N 1 0 393.322 2.882 20 0 GFADRO O[C@@H](C[NH2+]C[C@H](n1cncn1)C(F)(F)F)COc1ccc(Cl)cc1Cl ZINC000634725763 566172783 /nfs/dbraw/zinc/17/27/83/566172783.db2.gz CLYLONVLADRJLI-GWCFXTLKSA-N 1 0 399.200 2.718 20 0 GFADRO O[C@@H](C[NH2+]C[C@@H](n1cncn1)C(F)(F)F)COc1cc(Cl)cc(Cl)c1 ZINC000634725664 566173674 /nfs/dbraw/zinc/17/36/74/566173674.db2.gz ADFPXIAEWKKKAG-WCQYABFASA-N 1 0 399.200 2.718 20 0 GFADRO O[C@H](C[NH2+]C[C@H](n1cncn1)C(F)(F)F)COc1ccc(Cl)cc1Cl ZINC000634725765 566173753 /nfs/dbraw/zinc/17/37/53/566173753.db2.gz CLYLONVLADRJLI-MFKMUULPSA-N 1 0 399.200 2.718 20 0 GFADRO C[C@H](C(=O)Nc1ccccc1Br)N(C)[C@H]1CCCCN(C)C1=O ZINC000634737225 566173847 /nfs/dbraw/zinc/17/38/47/566173847.db2.gz LSURFRBXWQVDIJ-DOMZBBRYSA-N 1 0 382.302 2.719 20 0 GFADRO Cc1sc2ncnc(SCC(=O)N3C[C@@]4(C)C[NH2+]C[C@@]4(C)C3)c2c1C ZINC000634749265 566174170 /nfs/dbraw/zinc/17/41/70/566174170.db2.gz LSEOPPZAOGKPOJ-HDICACEKSA-N 1 0 376.551 2.858 20 0 GFADRO CC1(C)C[NH2+]CC[C@@H](NC(=O)[C@@H]2CCO[C@H]2c2cncc(Br)c2)C1 ZINC000634763836 566174522 /nfs/dbraw/zinc/17/45/22/566174522.db2.gz DYXURHAJOXEWLM-OAGGEKHMSA-N 1 0 396.329 2.816 20 0 GFADRO C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)[C@@H]1[C@@H]3Cc4cc(Br)ccc4[C@@H]31)C2 ZINC000634741324 566174743 /nfs/dbraw/zinc/17/47/43/566174743.db2.gz YXOBIDPRZBNMPW-DARIXABFSA-N 1 0 375.310 2.793 20 0 GFADRO O[C@H](C[NH2+]C1CCN(Cc2ccccc2Br)CC1)C(F)(F)F ZINC000682913848 566176803 /nfs/dbraw/zinc/17/68/03/566176803.db2.gz MRQYGTNFABRBEG-CQSZACIVSA-N 1 0 381.236 2.926 20 0 GFADRO CC[C@H](C[NH+]1CCCC1)NC(=O)c1ccc(I)c(O)c1 ZINC000612829056 566177012 /nfs/dbraw/zinc/17/70/12/566177012.db2.gz QAQOCSGZADFNBQ-GFCCVEGCSA-N 1 0 388.249 2.601 20 0 GFADRO CN([C@@H]1CC[N@@H+](C2CC2)C1)S(=O)(=O)Cc1cc(F)ccc1Br ZINC000656900385 566178839 /nfs/dbraw/zinc/17/88/39/566178839.db2.gz BVXSLDHUXNBRSZ-CQSZACIVSA-N 1 0 391.306 2.587 20 0 GFADRO O=C(N[C@H]1CC12CC[NH2+]CC2)N1CCOC[C@@H]1c1ccc(Br)cc1 ZINC000612996152 566181360 /nfs/dbraw/zinc/18/13/60/566181360.db2.gz OIHNWJQKOBXSIX-CVEARBPZSA-N 1 0 394.313 2.674 20 0 GFADRO COc1cc(Br)ccc1[C@@H](C)NC(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000612982935 566181375 /nfs/dbraw/zinc/18/13/75/566181375.db2.gz KQTJWMZIATXNNO-IAQYHMDHSA-N 1 0 382.302 2.960 20 0 GFADRO O=C1CC[C@@H]([NH2+]Cc2cc(Br)ccc2Br)CCN1 ZINC000634976933 566187275 /nfs/dbraw/zinc/18/72/75/566187275.db2.gz LKCVXRASCBQIPY-LLVKDONJSA-N 1 0 376.092 2.970 20 0 GFADRO C[NH+](C)[C@H]1CCCN(S(=O)(=O)Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000683200267 566188339 /nfs/dbraw/zinc/18/83/39/566188339.db2.gz YPONHCUSRUUGFE-AWEZNQCLSA-N 1 0 380.432 2.831 20 0 GFADRO COc1ccc([C@H](NCc2c(Br)cnn2C)[C@H]2CCC[NH2+]2)cc1 ZINC000635024381 566189303 /nfs/dbraw/zinc/18/93/03/566189303.db2.gz XJIITHSUIYTHIO-WBVHZDCISA-N 1 0 379.302 2.774 20 0 GFADRO C[NH+](C)[C@@H]1CCCN(C(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CC2)CC1 ZINC000683260580 566191069 /nfs/dbraw/zinc/19/10/69/566191069.db2.gz YNXIHSQMWVDPKU-OAHLLOKOSA-N 1 0 384.929 2.589 20 0 GFADRO CC[NH+](CC)C[C@@H](C)NS(=O)(=O)Cc1cc(F)ccc1Br ZINC000656967630 566196540 /nfs/dbraw/zinc/19/65/40/566196540.db2.gz ZUYSDLJEMQVWKR-LLVKDONJSA-N 1 0 381.311 2.738 20 0 GFADRO C[C@@H](C[NH+](C)C)NS(=O)(=O)c1cc(Cl)c(Cl)cc1Br ZINC000656988989 566200968 /nfs/dbraw/zinc/20/09/68/566200968.db2.gz UTDYWAXBXOEHOK-ZETCQYMHSA-N 1 0 390.130 2.984 20 0 GFADRO CSc1ccccc1S(=O)(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000657041592 566212168 /nfs/dbraw/zinc/21/21/68/566212168.db2.gz XSJQESWGFNVSMC-UHFFFAOYSA-N 1 0 384.567 2.578 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@H](NS(=O)(=O)Cc2cc(F)ccc2Br)C1 ZINC000657059516 566215168 /nfs/dbraw/zinc/21/51/68/566215168.db2.gz HGJUDFODJXKCPQ-ZDUSSCGKSA-N 1 0 393.322 2.880 20 0 GFADRO C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)N1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000683913937 566218921 /nfs/dbraw/zinc/21/89/21/566218921.db2.gz PARZHZPJDZENSL-YVEFUNNKSA-N 1 0 375.296 2.676 20 0 GFADRO COCC[N@@H+](Cc1cc(Br)cs1)C[C@@H]1CNc2ccnn2C1 ZINC000684204087 566230152 /nfs/dbraw/zinc/23/01/52/566230152.db2.gz QDWCSABCQAYEFW-LBPRGKRZSA-N 1 0 385.331 2.897 20 0 GFADRO O=C1[C@@H]([NH2+]C[C@@H]2CNc3ccnn3C2)CCN1c1ccc(Cl)c(Cl)c1 ZINC000684199550 566230484 /nfs/dbraw/zinc/23/04/84/566230484.db2.gz DYULTEGUYHKIEU-ABAIWWIYSA-N 1 0 380.279 2.627 20 0 GFADRO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)N1CCOc2c(Br)cccc2C1 ZINC000684266993 566231882 /nfs/dbraw/zinc/23/18/82/566231882.db2.gz JSYSJGSVCZJKSD-OAHLLOKOSA-N 1 0 394.313 2.837 20 0 GFADRO CN(CCC[NH2+][C@@H]1CCCc2cc(Br)ccc21)S(C)(=O)=O ZINC000684550432 566238331 /nfs/dbraw/zinc/23/83/31/566238331.db2.gz SWVILNMZTLYGDI-OAHLLOKOSA-N 1 0 375.332 2.698 20 0 GFADRO CNS(=O)(=O)c1ccc(CNc2cc[nH+]c3cc(F)c(OC)cc23)s1 ZINC000684569467 566238821 /nfs/dbraw/zinc/23/88/21/566238821.db2.gz APPNIORVCGAZEY-UHFFFAOYSA-N 1 0 381.454 2.964 20 0 GFADRO CN(C)c1cc(C(=O)N2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)nc2ccccc21 ZINC000333246140 570750233 /nfs/dbraw/zinc/75/02/33/570750233.db2.gz FTVXSYBNFKFQBE-KKSFZXQISA-N 1 0 382.508 2.659 20 0 GFADRO CC(C)c1cnc(CN2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)o1 ZINC000735933009 598831730 /nfs/dbraw/zinc/83/17/30/598831730.db2.gz RMTCQNQQWKAQNO-UHFFFAOYSA-N 1 0 381.484 2.686 20 0 GFADRO C[NH+](C)C[C@H]1CCN(C(=O)c2cccc(Oc3ccc(-c4nn[nH]n4)cc3)c2)C1 ZINC000736761500 598841341 /nfs/dbraw/zinc/84/13/41/598841341.db2.gz GCDMIVRFWOHMFC-OAHLLOKOSA-N 1 0 392.463 2.683 20 0 GFADRO C[NH+](C)C[C@@H]1CCN(C(=O)c2cccc(Oc3ccc(-c4nn[nH]n4)cc3)c2)C1 ZINC000736761498 598841358 /nfs/dbraw/zinc/84/13/58/598841358.db2.gz GCDMIVRFWOHMFC-HNNXBMFYSA-N 1 0 392.463 2.683 20 0 GFADRO COC(=O)[C@H](c1ccc(-c2nn[nH]n2)cc1)[N@@H+]1C[C@H](c2ccccc2)C[C@@H]1C ZINC000736901940 598864050 /nfs/dbraw/zinc/86/40/50/598864050.db2.gz POZHZGNLRFRRGL-KYNGSXCRSA-N 1 0 377.448 2.959 20 0 GFADRO CC[C@@H]([NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1ccc(Cl)s1 ZINC000736368846 598919903 /nfs/dbraw/zinc/91/99/03/598919903.db2.gz FQBSBUZEANYTHK-MWLCHTKSSA-N 1 0 378.893 2.561 20 0 GFADRO CC(C)[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)C[C@@H](O)COCc1ccccc1 ZINC000735873641 598922572 /nfs/dbraw/zinc/92/25/72/598922572.db2.gz JITPCHQIZYXPTN-HXUWFJFHSA-N 1 0 381.480 2.655 20 0 GFADRO Cc1ccccc1C[C@@H]1CCC[N@@H+]1CC(=O)Nc1sccc1-c1nn[nH]n1 ZINC000737427566 598947524 /nfs/dbraw/zinc/94/75/24/598947524.db2.gz SOHXPFRBBRCLJU-HNNXBMFYSA-N 1 0 382.493 2.882 20 0 GFADRO COc1cc(-c2nn[nH]n2)ccc1OCC[N@H+](C)CCOc1ccccc1C ZINC000737032007 598980232 /nfs/dbraw/zinc/98/02/32/598980232.db2.gz JDXBNLOCRXZOML-UHFFFAOYSA-N 1 0 383.452 2.573 20 0 GFADRO CCn1cncc1[C@@H]1CCCC[N@@H+]1CCOc1ccc(-c2nn[nH]n2)cc1OC ZINC000736723703 598983923 /nfs/dbraw/zinc/98/39/23/598983923.db2.gz ZJGFMUZGMGDGOQ-INIZCTEOSA-N 1 0 397.483 2.698 20 0 GFADRO COc1cc(-c2nn[nH]n2)ccc1OCC[N@@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC000737033222 598986654 /nfs/dbraw/zinc/98/66/54/598986654.db2.gz SBOLNSRIAWBZTL-MRXNPFEDSA-N 1 0 383.427 2.883 20 0 GFADRO C[C@H]1C[N@H+](Cc2ccc(F)cc2-c2nn[nH]n2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000736289209 598989341 /nfs/dbraw/zinc/98/93/41/598989341.db2.gz KWKQLUMJOJSSMY-BLLLJJGKSA-N 1 0 390.463 2.741 20 0 GFADRO CO[C@@H](C)C[N@H+](CCC(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)C(C)C ZINC000736961826 598993771 /nfs/dbraw/zinc/99/37/71/598993771.db2.gz MSUYTJFUXXSXHR-LBPRGKRZSA-N 1 0 380.880 2.594 20 0 GFADRO CC1CCC([NH+]2CCN(C(=O)C=Cc3ccccc3-c3nn[nH]n3)CC2)CC1 ZINC000736238998 599016462 /nfs/dbraw/zinc/01/64/62/599016462.db2.gz FPXKHQPKHLOKHT-FLIBITNWSA-N 1 0 380.496 2.603 20 0 GFADRO COc1ccc([C@H]2[C@@H](COC(=O)c3sccc3-c3nn[nH]n3)CC[N@@H+]2C)cc1 ZINC000737073951 599028288 /nfs/dbraw/zinc/02/82/88/599028288.db2.gz CUGMAXKKICBFGA-CJNGLKHVSA-N 1 0 399.476 2.787 20 0 GFADRO OCC[C@@H]([NH2+]Cc1cccc(OCc2ccccc2-c2nn[nH]n2)c1)C1CC1 ZINC000738393462 599054177 /nfs/dbraw/zinc/05/41/77/599054177.db2.gz MKNGWQNYBHAGGA-HXUWFJFHSA-N 1 0 379.464 2.696 20 0 GFADRO NC(=O)[C@@H](c1ccc(-c2nn[nH]n2)cc1)[N@@H+]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000737737544 599077348 /nfs/dbraw/zinc/07/73/48/599077348.db2.gz ADRCBMDFTNNAFI-NVXWUHKLSA-N 1 0 382.855 2.536 20 0 GFADRO Cc1cccc2c1ncc(-c1nn[nH]n1)c2NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000737409412 599121431 /nfs/dbraw/zinc/12/14/31/599121431.db2.gz OAUBTGLEVHMQBU-KRWDZBQOSA-N 1 0 389.463 2.987 20 0 GFADRO Cc1ccc([C@H](C)C(=O)N2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)o1 ZINC000822227586 599135872 /nfs/dbraw/zinc/13/58/72/599135872.db2.gz OFMQYUCZIJXWPR-INIZCTEOSA-N 1 0 394.479 2.606 20 0 GFADRO Cc1ccc([C@@H]2CCCC[N@@H+]2C[C@H](O)COc2ccc(-c3nn[nH]n3)cc2)o1 ZINC000737328334 599138548 /nfs/dbraw/zinc/13/85/48/599138548.db2.gz GEEBGKQGORCXBU-WMZOPIPTSA-N 1 0 383.452 2.735 20 0 GFADRO C[C@@H]1CCC[C@@H](C)[N@H+](CC(=O)Nc2c(-c3nn[nH]n3)cnn2-c2ccccc2)C1 ZINC000736243992 599139897 /nfs/dbraw/zinc/13/98/97/599139897.db2.gz BTKGUVPRGYBCBB-HUUCEWRRSA-N 1 0 394.483 2.501 20 0 GFADRO O=C(CC[N@@H+]1CC[C@@H](Cc2ccccc2)C1)Nc1cccc(-c2nn[nH]n2)c1 ZINC000737839488 599139991 /nfs/dbraw/zinc/13/99/91/599139991.db2.gz UBMILCHIYNKKDO-KRWDZBQOSA-N 1 0 376.464 2.760 20 0 GFADRO CC[C@@H](Cc1ccccc1)[N@H+](C)C[C@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000736352044 599145706 /nfs/dbraw/zinc/14/57/06/599145706.db2.gz RSLSFVHULAESDQ-OALUTQOASA-N 1 0 381.480 2.560 20 0 GFADRO Cc1ccc(-c2nn[nH]n2)cc1NC(=O)N1CC[NH+](C2CCC(C)CC2)CC1 ZINC000737292081 599146016 /nfs/dbraw/zinc/14/60/16/599146016.db2.gz RJWBJCXSPDYBFJ-UHFFFAOYSA-N 1 0 383.500 2.903 20 0 GFADRO C[C@H]1C[N@H+](CC(=O)Nc2cccc(-c3nn[nH]n3)c2)CC[C@H]1c1ccccc1 ZINC000736284589 599147063 /nfs/dbraw/zinc/14/70/63/599147063.db2.gz BLLHOHMJHSMOBU-HNAYVOBHSA-N 1 0 376.464 2.931 20 0 GFADRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000821596945 599245222 /nfs/dbraw/zinc/24/52/22/599245222.db2.gz YXZAFMLKVOHGDM-KRWDZBQOSA-N 1 0 391.479 2.853 20 0 GFADRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(CCC(=O)Nc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000736236726 599268716 /nfs/dbraw/zinc/26/87/16/599268716.db2.gz MFFWFEMOPOAJPW-FCEWJHQRSA-N 1 0 397.527 2.533 20 0 GFADRO CC(C)[NH2+][C@H]1CCCN(C(=O)Nc2ccc(-c3nn[nH]n3)c(C(F)(F)F)c2)C1 ZINC000820137402 599290699 /nfs/dbraw/zinc/29/06/99/599290699.db2.gz KBYYTXQPRPCLQN-LBPRGKRZSA-N 1 0 397.405 2.880 20 0 GFADRO C[C@H]1C[NH+](CCCNc2ccc(C(F)(F)F)c(-c3nn[nH]n3)c2)C[C@H](C)O1 ZINC000820759333 607345913 /nfs/dbraw/zinc/34/59/13/607345913.db2.gz JKVQIWXAAYFVID-RYUDHWBXSA-N 1 0 384.406 2.797 20 0 GFADRO CC(C)Cc1ccc(C[NH+]2CCN(c3ccc(-c4nn[nH]n4)cn3)CC2)cc1 ZINC000735851016 598249280 /nfs/dbraw/zinc/24/92/80/598249280.db2.gz XGUGXJGSTQKSOP-UHFFFAOYSA-N 1 0 377.496 2.782 20 0 GFADRO O[C@H](C[NH+]1CCC(Oc2cccc(-c3nn[nH]n3)c2)CC1)c1ccccc1F ZINC000738381816 598249668 /nfs/dbraw/zinc/24/96/68/598249668.db2.gz NATNSHGNJIVWRX-LJQANCHMSA-N 1 0 383.427 2.583 20 0 GFADRO COCC[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)Cc1ccc(-n2ccnc2)cc1 ZINC000737002012 598249794 /nfs/dbraw/zinc/24/97/94/598249794.db2.gz JPIHDYLNKQDXNQ-UHFFFAOYSA-N 1 0 389.463 2.701 20 0 GFADRO Fc1ccc(OCC[NH+]2CCC(Oc3cccc(-c4nn[nH]n4)c3)CC2)cc1 ZINC000737655694 598250909 /nfs/dbraw/zinc/25/09/09/598250909.db2.gz CWMYWAAPJHBUKY-UHFFFAOYSA-N 1 0 383.427 2.928 20 0 GFADRO CCC[N@H+](CCOc1cccc(-c2nn[nH]n2)c1)[C@@H](C)C(=O)Nc1ccccc1 ZINC000736480595 598251220 /nfs/dbraw/zinc/25/12/20/598251220.db2.gz SSMZWZMONBAVKD-INIZCTEOSA-N 1 0 394.479 2.985 20 0 GFADRO c1cc(OC2CC[NH+](Cc3cccc4c3OCCO4)CC2)cc(-c2nn[nH]n2)c1 ZINC000738417936 598251570 /nfs/dbraw/zinc/25/15/70/598251570.db2.gz FIQAOKYRWHCREZ-UHFFFAOYSA-N 1 0 393.447 2.681 20 0 GFADRO C[NH+](C)[C@H]1CCCN(C(=O)c2cccc(Oc3ccc(-c4nn[nH]n4)cc3)c2)C1 ZINC000736756478 598273248 /nfs/dbraw/zinc/27/32/48/598273248.db2.gz JKHKJGDMGXFNDN-KRWDZBQOSA-N 1 0 392.463 2.825 20 0 GFADRO CC(C)[C@H](CNc1ccc(-c2nn[nH]n2)c(C(F)(F)F)c1)[NH+]1CCOCC1 ZINC000735706709 598274588 /nfs/dbraw/zinc/27/45/88/598274588.db2.gz CPFDXGFLRSFPGK-HNNXBMFYSA-N 1 0 384.406 2.654 20 0 GFADRO CC(C)C[NH+]1CCC(NC(=O)Nc2cc(-c3nn[nH]n3)cn2C(C)(C)C)CC1 ZINC000735831058 598276463 /nfs/dbraw/zinc/27/64/63/598276463.db2.gz MXYKBWQBDFNPSB-UHFFFAOYSA-N 1 0 388.520 2.665 20 0 GFADRO C[NH+](C)C[C@@H](NC(=O)Nc1cc(-c2nn[nH]n2)cn1C(C)(C)C)c1ccccc1 ZINC000736761446 598277022 /nfs/dbraw/zinc/27/70/22/598277022.db2.gz FVGXDSXCCLJABK-MRXNPFEDSA-N 1 0 396.499 2.848 20 0 GFADRO O[C@@H](c1ccccc1)[C@@H]1CCCC[N@@H+]1CCOc1cccc(-c2nn[nH]n2)c1 ZINC000738383250 598396746 /nfs/dbraw/zinc/39/67/46/598396746.db2.gz ABELIIDAVXGARV-PMACEKPBSA-N 1 0 379.464 2.834 20 0 GFADRO O=C(C[N@@H+]1CCCC[C@H]1Cc1ccccc1)NCc1cccc(-c2nn[nH]n2)c1 ZINC000737876022 598422779 /nfs/dbraw/zinc/42/27/79/598422779.db2.gz GUEDLFLOYYNAQC-FQEVSTJZSA-N 1 0 390.491 2.580 20 0 GFADRO CC(C)N(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000736016761 598429590 /nfs/dbraw/zinc/42/95/90/598429590.db2.gz CMOZTRZHXFRFFR-MRXNPFEDSA-N 1 0 385.516 2.519 20 0 GFADRO O[C@@H](COc1ccc(-c2nn[nH]n2)cc1)C[N@@H+]1CCC[C@H](c2ccccc2)CC1 ZINC000738387188 598463577 /nfs/dbraw/zinc/46/35/77/598463577.db2.gz OARHLEUPTZCBBN-AZUAARDMSA-N 1 0 393.491 2.876 20 0 GFADRO Cn1nc(C[NH2+]C2CCN(c3ccc(-c4nn[nH]n4)cc3)CC2)c2ccccc21 ZINC000737622426 598467197 /nfs/dbraw/zinc/46/71/97/598467197.db2.gz NIQWDHNOCAIJSK-UHFFFAOYSA-N 1 0 388.479 2.512 20 0 GFADRO C[C@H](CNC(=O)N(Cc1ccc(-c2nn[nH]n2)cc1)C1CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000736269161 598477727 /nfs/dbraw/zinc/47/77/27/598477727.db2.gz ZJNMGXRTNJNANQ-HZPDHXFCSA-N 1 0 397.527 2.661 20 0 GFADRO Fc1ccc(C2([NH2+]CCOc3ccc(-c4nn[nH]n4)cc3)CCOCC2)cc1 ZINC000737653370 598486987 /nfs/dbraw/zinc/48/69/87/598486987.db2.gz ZWJYDWHUWYPMPJ-UHFFFAOYSA-N 1 0 383.427 2.680 20 0 GFADRO CC(C)Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)cc1 ZINC000735848827 598518152 /nfs/dbraw/zinc/51/81/52/598518152.db2.gz AKYNOSNGYBJFRQ-GDBMZVCRSA-N 1 0 380.500 2.654 20 0 GFADRO CC(C)Cc1ccc([C@H](C)[NH2+]C[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)cc1 ZINC000735848831 598518333 /nfs/dbraw/zinc/51/83/33/598518333.db2.gz AKYNOSNGYBJFRQ-HOCLYGCPSA-N 1 0 380.500 2.654 20 0 GFADRO c1nn2c(c1-c1nn[nH]n1)NC[C@H](C[NH2+][C@H](c1ccccc1)C1CCCC1)C2 ZINC000738426668 598528755 /nfs/dbraw/zinc/52/87/55/598528755.db2.gz SZLXXFYMEUBEIH-KBXCAEBGSA-N 1 0 378.484 2.626 20 0 GFADRO C[C@H]([NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1csc2ccccc12 ZINC000736135921 598530190 /nfs/dbraw/zinc/53/01/90/598530190.db2.gz QQXKFKNZNRFARN-RYUDHWBXSA-N 1 0 380.481 2.670 20 0 GFADRO COCC(C)(C)[NH2+]CCC(=O)Nc1sc2c(c1-c1nn[nH]n1)CCCCC2 ZINC000736968359 598559108 /nfs/dbraw/zinc/55/91/08/598559108.db2.gz RDNMKTZTEVRLEO-UHFFFAOYSA-N 1 0 392.529 2.540 20 0 GFADRO CC(C)C[C@@H](O)C[NH2+]Cc1cccc(OCc2ccccc2-c2nn[nH]n2)c1 ZINC000735799939 598561427 /nfs/dbraw/zinc/56/14/27/598561427.db2.gz RZCLCOPSUQRDEW-GOSISDBHSA-N 1 0 381.480 2.942 20 0 GFADRO C[NH+](C)Cc1ccc(C(=O)NCCSCc2ccccc2-c2nn[nH]n2)cc1 ZINC000736771736 598578226 /nfs/dbraw/zinc/57/82/26/598578226.db2.gz PIUHIVSOOCVOFY-UHFFFAOYSA-N 1 0 396.520 2.592 20 0 GFADRO COC1CC[NH+](C2(CNc3ccc(Cl)c(-c4nn[nH]n4)n3)CCCC2)CC1 ZINC000736960002 598580459 /nfs/dbraw/zinc/58/04/59/598580459.db2.gz CPIZKWSSMQOMPP-UHFFFAOYSA-N 1 0 391.907 2.751 20 0 GFADRO CC(C)[C@H](CNC(=O)Nc1ccc(F)c(-c2nn[nH]n2)c1)[NH+]1CCC(C)CC1 ZINC000736279473 598624499 /nfs/dbraw/zinc/62/44/99/598624499.db2.gz YCGSOPQOFKCJAE-KRWDZBQOSA-N 1 0 389.479 2.884 20 0 GFADRO CC(C)(C)CC[NH+]1CCN(C(=O)Nc2ccc(F)c(-c3nn[nH]n3)c2)CC1 ZINC000735601788 598625469 /nfs/dbraw/zinc/62/54/69/598625469.db2.gz DHEBWFLUIBBLHT-UHFFFAOYSA-N 1 0 375.452 2.592 20 0 GFADRO CC(C)CN(C(=O)CSc1ccc(-c2nn[nH]n2)cc1)C1CC[NH+](C)CC1 ZINC000735817519 598701130 /nfs/dbraw/zinc/70/11/30/598701130.db2.gz AXKXROJGYBNORP-UHFFFAOYSA-N 1 0 388.541 2.538 20 0 GFADRO CC(C)C[C@@H](CNC(=O)c1ccc(-c2nn[nH]n2)cn1)[NH2+][C@@H](C)c1ccccc1 ZINC000735768863 598721426 /nfs/dbraw/zinc/72/14/26/598721426.db2.gz DMPUEJYUOWXZRW-YJBOKZPZSA-N 1 0 393.495 2.757 20 0 GFADRO O=C(NCc1ccc(-c2nn[nH]n2)cc1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000738101143 598726278 /nfs/dbraw/zinc/72/62/78/598726278.db2.gz FXAGFOBFTDDIEN-GOSISDBHSA-N 1 0 397.527 2.664 20 0 GFADRO Fc1ccc(Cl)c2c1ncc(-c1nn[nH]n1)c2N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000737658090 598746443 /nfs/dbraw/zinc/74/64/43/598746443.db2.gz CQWRBOUOBIRYAB-LLVKDONJSA-N 1 0 387.850 2.882 20 0 GFADRO NC(=O)C[C@H]1CCCC[N@@H+]1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000737748956 598761466 /nfs/dbraw/zinc/76/14/66/598761466.db2.gz UDITWRQOSHRSSF-QGZVFWFLSA-N 1 0 376.464 2.764 20 0 GFADRO O[C@H](C[NH+]1CCC(Oc2ccc(-c3nn[nH]n3)cc2)CC1)c1ccc(F)cc1 ZINC000738379772 598765713 /nfs/dbraw/zinc/76/57/13/598765713.db2.gz CRIAXYJSGKYTDX-LJQANCHMSA-N 1 0 383.427 2.583 20 0 GFADRO CC[C@H](C)[C@H](O)C[NH2+]Cc1cccc(OCc2ccccc2-c2nn[nH]n2)c1 ZINC000736329660 598777898 /nfs/dbraw/zinc/77/78/98/598777898.db2.gz KDOHCDQHSFOJSG-MGPUTAFESA-N 1 0 381.480 2.942 20 0 GFADRO O[C@H](C[NH+]1CCC(CNc2cccc(F)c2-c2nn[nH]n2)CC1)c1ccccc1 ZINC000738381838 598787637 /nfs/dbraw/zinc/78/76/37/598787637.db2.gz NDCQCFGNPGNWAH-LJQANCHMSA-N 1 0 396.470 2.863 20 0 GFADRO C[C@H](C(=O)Nc1cccc(-c2nn[nH]n2)c1)N1CCC[C@H]([NH+]2[C@H](C)CC[C@H]2C)C1 ZINC000735561430 598809381 /nfs/dbraw/zinc/80/93/81/598809381.db2.gz KDDUOGBUULRGNW-NNFUDEMPSA-N 1 0 397.527 2.531 20 0 GFADRO C[C@H](c1ccc(-c2nn[nH]n2)cc1)[NH+]1CCN(c2ncnc3sccc32)CC1 ZINC000736201312 599310296 /nfs/dbraw/zinc/31/02/96/599310296.db2.gz WXORASHYJWBHRQ-CYBMUJFWSA-N 1 0 392.492 2.755 20 0 GFADRO Cc1cccnc1[C@@H]([NH2+][C@H](C)C(=O)Nc1ccccc1-c1nn[nH]n1)C(C)C ZINC000737436036 599355763 /nfs/dbraw/zinc/35/57/63/599355763.db2.gz QNECVTSGNZQFOL-PBHICJAKSA-N 1 0 379.468 2.884 20 0 GFADRO C[C@@H](Nc1ccc(CC[NH+]2CCOCC2)cc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000820456144 599369070 /nfs/dbraw/zinc/36/90/70/599369070.db2.gz QKTJZGAROBLQRK-MRXNPFEDSA-N 1 0 378.480 2.915 20 0 GFADRO CCc1cc(N2CCC[C@H]([NH2+][C@H](C)c3ccc(-c4nn[nH]n4)cc3)C2)ncn1 ZINC000821471334 599376419 /nfs/dbraw/zinc/37/64/19/599376419.db2.gz ZXJPVEGYODNFMC-KDOFPFPSSA-N 1 0 378.484 2.539 20 0 GFADRO CC(C)(C)[NH2+]CCNC(=O)c1cccc(COc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000819923305 599381130 /nfs/dbraw/zinc/38/11/30/599381130.db2.gz ZCUIIPRTNITUJJ-UHFFFAOYSA-N 1 0 394.479 2.564 20 0 GFADRO CCC(CC)(C[NH2+][C@@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1)c1ccccc1 ZINC000820887540 599384923 /nfs/dbraw/zinc/38/49/23/599384923.db2.gz FVGIOLYDEXVLPZ-GOSISDBHSA-N 1 0 378.480 2.741 20 0 GFADRO CCOc1ccccc1NC(=O)[C@H](C)[NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1 ZINC000821436908 599388967 /nfs/dbraw/zinc/38/89/67/599388967.db2.gz HNCNFOQXGMSKNT-KBPBESRZSA-N 1 0 380.452 2.943 20 0 GFADRO CC(=O)c1cccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2cccc(-c3nn[nH]n3)c2)c1 ZINC000819844415 599390585 /nfs/dbraw/zinc/39/05/85/599390585.db2.gz HLHAFCBJVWWBKX-OLZOCXBDSA-N 1 0 378.436 2.747 20 0 GFADRO Cc1c(O)ccc2c(C[NH2+][C@@H](C)c3cccc(-c4nn[nH]n4)c3)cc(=O)oc12 ZINC000822130638 599392156 /nfs/dbraw/zinc/39/21/56/599392156.db2.gz XXBNZZXOWJTIMO-LBPRGKRZSA-N 1 0 377.404 2.838 20 0 GFADRO COCc1cccc(C[NH2+]C2CCN(c3ccc(-c4nn[nH]n4)cc3)CC2)c1 ZINC000821695881 599419239 /nfs/dbraw/zinc/41/92/39/599419239.db2.gz LSMLQZAJVSSYMX-UHFFFAOYSA-N 1 0 378.480 2.772 20 0 GFADRO COc1ccc(C[NH2+]C[C@H](c2ccc(C)o2)N2CCCC2)cc1-c1nn[nH]n1 ZINC000821808802 599422298 /nfs/dbraw/zinc/42/22/98/599422298.db2.gz JXNMVKSBPKNGCE-QGZVFWFLSA-N 1 0 382.468 2.703 20 0 GFADRO C[C@@H](NC(=O)NCC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1)c1cccc(-c2nn[nH]n2)c1 ZINC000820650166 599422450 /nfs/dbraw/zinc/42/24/50/599422450.db2.gz RHMSMBRHBWYNMN-BZUAXINKSA-N 1 0 399.543 2.983 20 0 GFADRO COc1ccc(C[NH2+]C2CCN(c3ccc(-c4nn[nH]n4)cn3)CC2)cc1Cl ZINC000821808191 599425702 /nfs/dbraw/zinc/42/57/02/599425702.db2.gz BKLHYLNACCMKRC-UHFFFAOYSA-N 1 0 399.886 2.682 20 0 GFADRO CC(C)(C)OC(=O)N1CCC[C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC000735624800 599451280 /nfs/dbraw/zinc/45/12/80/599451280.db2.gz BAQBUOFSVBPNCZ-ZDUSSCGKSA-N 1 0 390.463 2.743 20 0 GFADRO CC(C)(C)c1ccc(OCC[NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)cc1 ZINC000735652419 599481905 /nfs/dbraw/zinc/48/19/05/599481905.db2.gz KJRYMLHWVZXUEX-UHFFFAOYSA-N 1 0 391.479 2.981 20 0 GFADRO c1nc2ccc(-c3nn[nH]n3)cn2c1C[NH2+]CCOc1cccc2ccccc21 ZINC000738437339 599485712 /nfs/dbraw/zinc/48/57/12/599485712.db2.gz OMSSGVAAUNWFCO-UHFFFAOYSA-N 1 0 385.431 2.836 20 0 GFADRO CCOCC[N@@H+]1CCN(c2c(-c3nn[nH]n3)cnc3c(C)cc(C)cc32)C[C@@H]1C ZINC000821378626 599534076 /nfs/dbraw/zinc/53/40/76/599534076.db2.gz QLQLEFALGBQKJW-INIZCTEOSA-N 1 0 395.511 2.579 20 0 GFADRO C[C@@H](c1cccnc1)[NH+]1CCN(c2cc(-c3nn[nH]n3)nc3ccccc32)CC1 ZINC000820569988 599559873 /nfs/dbraw/zinc/55/98/73/599559873.db2.gz BPNOHGUBIQCLQK-HNNXBMFYSA-N 1 0 386.463 2.693 20 0 GFADRO COc1cc(-c2nn[nH]n2)ccc1OCC[N@H+](C[C@H]1CCCO1)C1CCCC1 ZINC000821702381 599580645 /nfs/dbraw/zinc/58/06/45/599580645.db2.gz RKGOFLXCZNFIOE-QGZVFWFLSA-N 1 0 387.484 2.678 20 0 GFADRO Cc1ccccc1[C@H]1C[C@@H](C)[N@@H+](CC(=O)Nc2cccc(-c3nn[nH]n3)c2)C1 ZINC000737422612 599584917 /nfs/dbraw/zinc/58/49/17/599584917.db2.gz QJCJFCAOPGEISN-WBVHZDCISA-N 1 0 376.464 2.992 20 0 GFADRO C[C@H]1c2c(F)cccc2CC[N@H+]1CCC(=O)Nc1ccccc1-c1nn[nH]n1 ZINC000736306015 599590889 /nfs/dbraw/zinc/59/08/89/599590889.db2.gz ZORDJUSJHJPMAC-ZDUSSCGKSA-N 1 0 380.427 2.954 20 0 GFADRO O=C(NCc1cccc(-c2nn[nH]n2)c1)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000823252987 599692933 /nfs/dbraw/zinc/69/29/33/599692933.db2.gz CNKJGNSCRWKZNZ-IBGZPJMESA-N 1 0 376.464 2.538 20 0 GFADRO Cc1cscc1NC(=O)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826320981 607396842 /nfs/dbraw/zinc/39/68/42/607396842.db2.gz MQFXMUSDALCFSG-UHFFFAOYSA-N 1 0 397.508 2.976 20 0 GFADRO CC[NH+]1CCC(CNC(=O)Nc2ccc(OC(C)C)c(-c3nn[nH]n3)c2)CC1 ZINC000821254646 607431348 /nfs/dbraw/zinc/43/13/48/607431348.db2.gz NVXHRTHTEGRZEV-UHFFFAOYSA-N 1 0 387.488 2.507 20 0 GFADRO C[C@@H]([C@@H]1Cc2ccccc2O1)[N@H+](C)CCC(=O)Nc1ccccc1-c1nn[nH]n1 ZINC000824377283 607472393 /nfs/dbraw/zinc/47/23/93/607472393.db2.gz AQOQIOAHEXGPKI-LIRRHRJNSA-N 1 0 392.463 2.519 20 0 GFADRO CC[C@H](O)C[N@H+](Cc1cn2ccccc2c1-c1nn[nH]n1)Cc1ccccc1 ZINC000825154848 607473051 /nfs/dbraw/zinc/47/30/51/607473051.db2.gz URUKVWJGQGSJIQ-SFHVURJKSA-N 1 0 376.464 2.893 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000829765135 601013931 /nfs/dbraw/zinc/01/39/31/601013931.db2.gz JSGSOWBSBFIVRO-HNNXBMFYSA-N 1 0 396.919 2.918 20 0 GFADRO COc1ccc(C[NH+]2CCC(CC(=O)NC3CCCC3)CC2)cc1-c1nn[nH]n1 ZINC000826193779 607488899 /nfs/dbraw/zinc/48/88/99/607488899.db2.gz OPDPAHIOOKJBHF-UHFFFAOYSA-N 1 0 398.511 2.536 20 0 GFADRO COc1ccc(C[N@@H+]2CCC[C@H]2c2cccc3c2OCCO3)cc1-c1nn[nH]n1 ZINC000826194130 607495280 /nfs/dbraw/zinc/49/52/80/607495280.db2.gz BSJPQDZYAKBYCX-KRWDZBQOSA-N 1 0 393.447 2.984 20 0 GFADRO COc1ccc(CN2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)cc1-c1nn[nH]n1 ZINC000826194590 607501695 /nfs/dbraw/zinc/50/16/95/607501695.db2.gz QHDSPVSJEKAYIS-AEFFLSMTSA-N 1 0 384.528 2.962 20 0 GFADRO CC(C)[C@@H](CC[N@H+](C)Cc1ccnc(-c2nn[nH]n2)c1)NC(=O)OC(C)(C)C ZINC000824193022 607509575 /nfs/dbraw/zinc/50/95/75/607509575.db2.gz QNWGNUWXWHMFSH-OAHLLOKOSA-N 1 0 389.504 2.633 20 0 GFADRO CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]C2CCN(C(=O)[O-])CC2)CC1 ZINC000827229253 604189361 /nfs/dbraw/zinc/18/93/61/604189361.db2.gz YUOHQUBSTLABPO-OAHLLOKOSA-N 1 0 378.492 2.761 20 0 GFADRO Cc1cc(-c2nn[nH]n2)ccc1C(=O)Nc1ccc(OCCC[NH+](C)C)cc1 ZINC000826250199 607687342 /nfs/dbraw/zinc/68/73/42/607687342.db2.gz OZGJDYNLGPOECL-UHFFFAOYSA-N 1 0 380.452 2.758 20 0 GFADRO Cc1cc(-c2nn[nH]n2)ccc1C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000826248242 607691478 /nfs/dbraw/zinc/69/14/78/607691478.db2.gz AJMGPBDKEAPMRH-GOSISDBHSA-N 1 0 376.464 2.570 20 0 GFADRO CC[NH+](CC)CCn1ccc2cc(NC(=O)c3ccc(-c4nn[nH]n4)[nH]3)ccc21 ZINC000825417143 607714688 /nfs/dbraw/zinc/71/46/88/607714688.db2.gz OUCCMRNYWUIBBR-UHFFFAOYSA-N 1 0 392.467 2.744 20 0 GFADRO CN(C(=O)C[NH+]1CCC(CCC[NH+]2CCCC2)CC1)c1ccccc1C(=O)[O-] ZINC000833684738 605085915 /nfs/dbraw/zinc/08/59/15/605085915.db2.gz QUYLAOCKPICUGO-UHFFFAOYSA-N 1 0 387.524 2.936 20 0 GFADRO C[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)C[N@@H+]1Cc1cc(F)ccc1-c1nn[nH]n1 ZINC000824884225 607750064 /nfs/dbraw/zinc/75/00/64/607750064.db2.gz MHHVMAZZOFMEOL-STQMWFEESA-N 1 0 390.463 2.741 20 0 GFADRO C[C@@H]1[C@@H](Cc2ccccc2)CC[N@@H+]1C[C@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000820642731 606112577 /nfs/dbraw/zinc/11/25/77/606112577.db2.gz LBYUIIVCCHFQBJ-AHRSYUTCSA-N 1 0 393.491 2.560 20 0 GFADRO COc1ccc([C@@H]2[C@@H](COC(=O)c3ccc(-c4nn[nH]n4)s3)CC[N@@H+]2C)cc1 ZINC000821782260 606178794 /nfs/dbraw/zinc/17/87/94/606178794.db2.gz CHTBSXFETWGUBI-CXAGYDPISA-N 1 0 399.476 2.787 20 0 GFADRO COc1cc(NC2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)cc(OC)c1 ZINC000821720017 606195630 /nfs/dbraw/zinc/19/56/30/606195630.db2.gz LWYLFJNFDOSURP-UHFFFAOYSA-N 1 0 394.479 2.960 20 0 GFADRO Brc1cccc(OCC[NH2+]Cc2cc(-c3nn[nH]n3)cs2)c1 ZINC000819688586 606212749 /nfs/dbraw/zinc/21/27/49/606212749.db2.gz JYCAKSHMKOTCOO-UHFFFAOYSA-N 1 0 380.271 2.859 20 0 GFADRO CC(C)(C)OC(=O)N1CCC[C@@H](C[NH2+]Cc2cc(-c3nn[nH]n3)cs2)C1 ZINC000819933499 606215504 /nfs/dbraw/zinc/21/55/04/606215504.db2.gz UCSKXBMLQQSFMG-LBPRGKRZSA-N 1 0 378.502 2.665 20 0 GFADRO C[C@@](CO)([NH2+]Cc1cc(-c2nn[nH]n2)cs1)c1cccc(C(F)(F)F)c1 ZINC000820280938 606219502 /nfs/dbraw/zinc/21/95/02/606219502.db2.gz PSOYPHXZUNUZOW-HNNXBMFYSA-N 1 0 383.399 2.944 20 0 GFADRO CC(C)(C)OC(=O)NC[C@@H]1CCC[C@H]1[NH2+]Cc1cc(-c2nn[nH]n2)cs1 ZINC000819939385 606222645 /nfs/dbraw/zinc/22/26/45/606222645.db2.gz AKMQJOWNZYTQER-SMDDNHRTSA-N 1 0 378.502 2.711 20 0 GFADRO CC[C@@H]1Oc2cc([C@@H](C)[NH2+]Cc3cc(-c4nn[nH]n4)cs3)ccc2NC1=O ZINC000821000858 606224631 /nfs/dbraw/zinc/22/46/31/606224631.db2.gz KNMPHTSHMVMTTM-BMIGLBTASA-N 1 0 384.465 2.889 20 0 GFADRO CC(C)[C@H](C[NH2+]CCS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)c1ccccc1 ZINC000820021744 606307792 /nfs/dbraw/zinc/30/77/92/606307792.db2.gz YGBBIFFSYFNWJP-IBGZPJMESA-N 1 0 399.520 2.670 20 0 GFADRO CCC[N@H+](CCC(=O)Nc1cc(N)ccc1F)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000821094770 606315061 /nfs/dbraw/zinc/31/50/61/606315061.db2.gz QCSFYQBGIMIRDA-UHFFFAOYSA-N 1 0 397.458 2.829 20 0 GFADRO CCS[C@@H]1CCCC[N@@H+]([C@H]2CCN(c3sccc3-c3nn[nH]n3)C2=O)C1 ZINC000821454958 606322335 /nfs/dbraw/zinc/32/23/35/606322335.db2.gz HVKVJOCIWDVBKT-OCCSQVGLSA-N 1 0 392.554 2.641 20 0 GFADRO CCOc1ccc(-c2nn[nH]n2)cc1NC(=O)N1C[C@H]2CCCC[N@@H+]2C[C@H]1CC ZINC000821407705 606344871 /nfs/dbraw/zinc/34/48/71/606344871.db2.gz VMUZFXRJEDMDHH-HZPDHXFCSA-N 1 0 399.499 2.746 20 0 GFADRO CC1(C)C[N@H+](C[C@H](O)COc2ccc(-c3nn[nH]n3)cc2)[C@@H]1c1ccccc1 ZINC000820601996 606378294 /nfs/dbraw/zinc/37/82/94/606378294.db2.gz XOTRNRVLMXSCHF-PKOBYXMFSA-N 1 0 379.464 2.690 20 0 GFADRO c1ccc(C[NH+]2CCC(OCCCNc3cccc(-c4nn[nH]n4)n3)CC2)cc1 ZINC000823779367 606403327 /nfs/dbraw/zinc/40/33/27/606403327.db2.gz BGCVBSSDKQFWCT-UHFFFAOYSA-N 1 0 393.495 2.745 20 0 GFADRO Cn1cc(-c2nn[nH]n2)cc1C(=O)OCC1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000822658973 606411438 /nfs/dbraw/zinc/41/14/38/606411438.db2.gz CARQGARHJJLNNL-UHFFFAOYSA-N 1 0 394.479 2.664 20 0 GFADRO Cc1cc([C@H](C)[NH2+][C@@H]2CCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)ccc1F ZINC000822191726 606416715 /nfs/dbraw/zinc/41/67/15/606416715.db2.gz PHTVFXJNFOQUCX-SCLBCKFNSA-N 1 0 380.427 2.770 20 0 GFADRO CC(C)(C)OC(=O)NC[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC000819939942 606422593 /nfs/dbraw/zinc/42/25/93/606422593.db2.gz LUDYXYULTIRKRO-WCQYABFASA-N 1 0 378.502 2.711 20 0 GFADRO O[C@@H](COc1ccc(-c2nn[nH]n2)cc1)C[N@@H+]1CCCC[C@H]1c1ccc(F)cc1 ZINC000823696739 606456216 /nfs/dbraw/zinc/45/62/16/606456216.db2.gz GYSUIPFJGHPKJB-QUCCMNQESA-N 1 0 397.454 2.973 20 0 GFADRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000820760510 606483605 /nfs/dbraw/zinc/48/36/05/606483605.db2.gz RDUYTSFGRCQBJV-KXBFYZLASA-N 1 0 391.479 2.899 20 0 GFADRO FC(F)Oc1cc(-c2nn[nH]n2)ccc1C[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000822733196 606487761 /nfs/dbraw/zinc/48/77/61/606487761.db2.gz SCHIITXIPKZEIY-UHFFFAOYSA-N 1 0 375.383 2.571 20 0 GFADRO Cc1c[nH+]ccc1N1CCC(C(=O)N(C)c2ccc(-c3nn[nH]n3)cc2F)CC1 ZINC000822399578 606502521 /nfs/dbraw/zinc/50/25/21/606502521.db2.gz JWKXWFCNLHMBFJ-UHFFFAOYSA-N 1 0 395.442 2.589 20 0 GFADRO Cc1ccc(C(=O)N(CC[NH+](C)C)Cc2ccc(-c3nn[nH]n3)cc2)c(F)c1 ZINC000822226136 606511853 /nfs/dbraw/zinc/51/18/53/606511853.db2.gz DVSTYGGZIKVPIZ-UHFFFAOYSA-N 1 0 382.443 2.518 20 0 GFADRO O=C(NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1cc(-c2nn[nH]n2)cs1 ZINC000823175334 606539277 /nfs/dbraw/zinc/53/92/77/606539277.db2.gz GFTPTKHSUKINPL-HNNXBMFYSA-N 1 0 382.493 2.570 20 0 GFADRO O=C(Cc1cccc(-c2nn[nH]n2)c1)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000823087058 606547812 /nfs/dbraw/zinc/54/78/12/606547812.db2.gz DXRCLYKNOZLVLK-UHFFFAOYSA-N 1 0 382.512 2.524 20 0 GFADRO CC1(C)CN(C(=O)Cc2cccc(-c3nn[nH]n3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000820601209 606551765 /nfs/dbraw/zinc/55/17/65/606551765.db2.gz DWNIYWLOPNFISO-UHFFFAOYSA-N 1 0 390.491 2.532 20 0 GFADRO CC[C@@H](C(=O)OCc1ccc(-c2nn[nH]n2)cc1OC(F)F)[NH+](CC)CC ZINC000820848386 606560541 /nfs/dbraw/zinc/56/05/41/606560541.db2.gz WUCQVNAIBZMEPX-ZDUSSCGKSA-N 1 0 383.399 2.632 20 0 GFADRO C[C@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)Cc1cccc(-c2nn[nH]n2)c1 ZINC000820722810 606580635 /nfs/dbraw/zinc/58/06/35/606580635.db2.gz PBJAFGAHMGZDIG-KRWDZBQOSA-N 1 0 390.491 2.532 20 0 GFADRO CC(C)CN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000820087267 606603196 /nfs/dbraw/zinc/60/31/96/606603196.db2.gz OTCHESCQBVRANZ-MOPGFXCFSA-N 1 0 399.543 2.907 20 0 GFADRO C[C@@H]1CC/C(=C\C(=O)N2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC000820678221 606617509 /nfs/dbraw/zinc/61/75/09/606617509.db2.gz TZFYIEDMQHHEDV-WDMNMGCXSA-N 1 0 380.496 2.647 20 0 GFADRO Cc1cc(N2CCC([NH2+][C@@H](C)c3ccc(-c4nn[nH]n4)cc3)CC2)nc(C)n1 ZINC000822206916 606622377 /nfs/dbraw/zinc/62/23/77/606622377.db2.gz CVFRBVJHWSDSLM-AWEZNQCLSA-N 1 0 378.484 2.593 20 0 GFADRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)C1 ZINC000820648555 606672577 /nfs/dbraw/zinc/67/25/77/606672577.db2.gz BSMXSAHAVXBCLR-TXEJJXNPSA-N 1 0 392.454 2.631 20 0 GFADRO C[C@H](C(=O)Nc1ccccc1-c1nn[nH]n1)[N@@H+]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000819877370 606713417 /nfs/dbraw/zinc/71/34/17/606713417.db2.gz UTNHQZNLLSZKBE-UKRRQHHQSA-N 1 0 380.427 2.822 20 0 GFADRO COc1cc(-c2nn[nH]n2)ccc1OCC[N@@H+]1CC[C@H](c2ccc(F)cc2)C1 ZINC000821702100 606714874 /nfs/dbraw/zinc/71/48/74/606714874.db2.gz HOGZHJNEAXIMKM-INIZCTEOSA-N 1 0 383.427 2.883 20 0 GFADRO C[C@H](C(=O)Nc1ccccc1-c1nn[nH]n1)[N@@H+]1CC[C@@](C)(c2ccccc2)C1 ZINC000819877231 606717239 /nfs/dbraw/zinc/71/72/39/606717239.db2.gz RMMHILVPXAVUAN-QVKFZJNVSA-N 1 0 376.464 2.857 20 0 GFADRO CCN1C[C@H](C)[C@H]([NH2+]Cc2cccc(OCc3cccc(-c4nn[nH]n4)c3)c2)C1 ZINC000821242310 606732893 /nfs/dbraw/zinc/73/28/93/606732893.db2.gz RHYLNJKNCWYCHZ-HRAATJIYSA-N 1 0 392.507 2.876 20 0 GFADRO CC(C)(C)OC(=O)C[C@H]1CCC[N@H+](CCOc2cccc(-c3nn[nH]n3)c2)C1 ZINC000819928492 606753134 /nfs/dbraw/zinc/75/31/34/606753134.db2.gz RDNVIYJQEOUPRV-OAHLLOKOSA-N 1 0 387.484 2.689 20 0 GFADRO FC(F)Oc1cc2c(cc1C[NH2+]Cc1ccc(-c3nn[nH]n3)s1)OCO2 ZINC000822731260 606772823 /nfs/dbraw/zinc/77/28/23/606772823.db2.gz BEHRLENFQIPAOQ-UHFFFAOYSA-N 1 0 381.364 2.548 20 0 GFADRO COCCOCC[N@H+](Cc1ccccc1)Cc1ccc(F)cc1-c1nn[nH]n1 ZINC000821692923 606776267 /nfs/dbraw/zinc/77/62/67/606776267.db2.gz JPEWIXWPDPQSPQ-UHFFFAOYSA-N 1 0 385.443 2.671 20 0 GFADRO CC1CC[NH+](CC(=O)NCc2cccc(-c3ccc(-c4nn[nH]n4)s3)c2)CC1 ZINC000820721817 606807201 /nfs/dbraw/zinc/80/72/01/606807201.db2.gz BWYORBHEIHHUOQ-UHFFFAOYSA-N 1 0 396.520 2.943 20 0 GFADRO C[NH+](C)C1(C(=O)Nc2ccc(OCc3cccc(-c4nn[nH]n4)c3)cc2)CCC1 ZINC000821581498 606834733 /nfs/dbraw/zinc/83/47/33/606834733.db2.gz MXTINWKVHAVOGI-UHFFFAOYSA-N 1 0 392.463 2.869 20 0 GFADRO O[C@H](C[NH2+]Cc1ccc(OCC(F)(F)F)cc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823690061 606850071 /nfs/dbraw/zinc/85/00/71/606850071.db2.gz KYTAHURGODUPPO-MRXNPFEDSA-N 1 0 393.369 2.631 20 0 GFADRO O[C@H](C[NH+]1CCC(OCCc2ccccc2)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823674003 606857698 /nfs/dbraw/zinc/85/76/98/606857698.db2.gz OMYLMUPLJKEVBK-OAQYLSRUSA-N 1 0 393.491 2.624 20 0 GFADRO COCCCC[N@@H+](Cc1ccccc1)C[C@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821687252 606858096 /nfs/dbraw/zinc/85/80/96/606858096.db2.gz VXFHUDZILSHTAT-FQEVSTJZSA-N 1 0 381.480 2.829 20 0 GFADRO COc1ccc(C[N@H+](C)CCCOc2cccc(-c3nn[nH]n3)c2)cc1OC ZINC000821795240 606884423 /nfs/dbraw/zinc/88/44/23/606884423.db2.gz WNUQRVFEPRCWJD-UHFFFAOYSA-N 1 0 383.452 2.785 20 0 GFADRO CCc1nnc(NC[C@H](c2ccc(C)o2)[NH+]2CCCC2)c(-c2nn[nH]n2)c1CC ZINC000821536739 606929348 /nfs/dbraw/zinc/92/93/48/606929348.db2.gz YALAJHYYVMIZGS-MRXNPFEDSA-N 1 0 396.499 2.932 20 0 GFADRO C[N@@H+]1CCC[C@H]2CN(C(=S)Nc3ccc(-c4nn[nH]n4)c(Cl)c3)CC[C@@H]21 ZINC000821625171 606979226 /nfs/dbraw/zinc/97/92/26/606979226.db2.gz GWSSXTGNAIYOGA-NHYWBVRUSA-N 1 0 391.932 2.633 20 0 GFADRO CC=C(C=CC(=O)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)CC ZINC000820826978 606986988 /nfs/dbraw/zinc/98/69/88/606986988.db2.gz PMDNEMRLPASPBU-GJSHGWRVSA-N 1 0 380.496 2.814 20 0 GFADRO C[NH+](C)Cc1cccc(NC(=O)C(C)(C)Oc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000821588086 606995579 /nfs/dbraw/zinc/99/55/79/606995579.db2.gz ACOKQQLLOLZDRQ-UHFFFAOYSA-N 1 0 380.452 2.724 20 0 GFADRO CC[C@H](C(=O)Nc1ccc(OCc2cccc(-c3nn[nH]n3)c2)cc1)[NH+](C)C ZINC000820842427 607021508 /nfs/dbraw/zinc/02/15/08/607021508.db2.gz MTXGJHNJKMZFKA-GOSISDBHSA-N 1 0 380.452 2.724 20 0 GFADRO c1ccc(C[N@@H+]2CCC[C@@H]3CN(c4ccc(-c5nn[nH]n5)cn4)CC[C@H]32)cc1 ZINC000823779939 607032216 /nfs/dbraw/zinc/03/22/16/607032216.db2.gz LPKKTNWNHLDKKV-RTBURBONSA-N 1 0 375.480 2.753 20 0 GFADRO COc1ccc(C)cc1[C@H](C)[NH2+]C1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1 ZINC000821783153 607047015 /nfs/dbraw/zinc/04/70/15/607047015.db2.gz XPQVUTJPGLSZMW-HNNXBMFYSA-N 1 0 393.495 2.898 20 0 GFADRO CCN1C[C@H](C[N@H+](C)Cc2cc(F)ccc2-c2nn[nH]n2)Oc2ccccc21 ZINC000821241916 607055917 /nfs/dbraw/zinc/05/59/17/607055917.db2.gz QKFWSHBNVLGJCQ-INIZCTEOSA-N 1 0 382.443 2.725 20 0 GFADRO C[C@@H](c1ccc(-n2cncn2)cc1)[N@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1 ZINC000820562244 607056172 /nfs/dbraw/zinc/05/61/72/607056172.db2.gz DXNLKKXLAFOILJ-ZDUSSCGKSA-N 1 0 378.415 2.780 20 0 GFADRO O=C(NC1CCCCC1)C1CC[NH+](Cc2cc(F)ccc2-c2nn[nH]n2)CC1 ZINC000823151073 607061104 /nfs/dbraw/zinc/06/11/04/607061104.db2.gz WJHHIBMQIYDMIM-UHFFFAOYSA-N 1 0 386.475 2.667 20 0 GFADRO OCCC[N@H+](Cc1ccccc1)Cc1ccc(-c2nn[nH]n2)cc1OC(F)F ZINC000823721732 607147930 /nfs/dbraw/zinc/14/79/30/607147930.db2.gz ILZVGRNDSAKFAW-UHFFFAOYSA-N 1 0 389.406 2.853 20 0 GFADRO Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)CNc1ccc(-c2nn[nH]n2)cc1 ZINC000822237123 607228566 /nfs/dbraw/zinc/22/85/66/607228566.db2.gz GHMPVPAFZYTXDH-UHFFFAOYSA-N 1 0 391.479 2.822 20 0 GFADRO O=S(=O)(CC[N@H+](CC1CC1)C1CCCCC1)c1cccc(-c2nn[nH]n2)c1 ZINC000826485041 607828475 /nfs/dbraw/zinc/82/84/75/607828475.db2.gz ZWFUBEJJUWXVLN-UHFFFAOYSA-N 1 0 389.525 2.685 20 0 GFADRO Clc1ccc(-c2nn[nH]n2)c(N2CC[C@H](OCC[NH+]3CCCCC3)C2)c1 ZINC000826351605 607849983 /nfs/dbraw/zinc/84/99/83/607849983.db2.gz SNVRIBCAIFYASE-HNNXBMFYSA-N 1 0 376.892 2.601 20 0 GFADRO OC[C@H](CC1CC1)[NH2+]Cc1cccc(OCc2cccc(-c3nn[nH]n3)c2)c1 ZINC000826507436 607854081 /nfs/dbraw/zinc/85/40/81/607854081.db2.gz OJYNTJHSKQABPS-IBGZPJMESA-N 1 0 379.464 2.696 20 0 GFADRO OC[C@H](C1CC1)[N@H+](CCCOc1cccc(-c2nn[nH]n2)c1)Cc1ccccc1 ZINC000826507221 607858623 /nfs/dbraw/zinc/85/86/23/607858623.db2.gz KQUWHPRCVBUWKA-OAQYLSRUSA-N 1 0 393.491 2.909 20 0 GFADRO O=C([C@@H]1CCC[N@H+](Cc2ccccc2)C1)N1CCc2ccc(-c3nn[nH]n3)cc21 ZINC000826399262 607946698 /nfs/dbraw/zinc/94/66/98/607946698.db2.gz QXWINIIMOJZURJ-LJQANCHMSA-N 1 0 388.475 2.668 20 0 GFADRO FC(F)(F)c1cc(-c2nn[nH]n2)ccc1NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000826368609 608016412 /nfs/dbraw/zinc/01/64/12/608016412.db2.gz WBQRIEBPPSXONI-CYBMUJFWSA-N 1 0 382.390 2.551 20 0 GFADRO CC[C@H](C)[C@H](C(=O)Nc1n[nH]c(CCC[NH2+]C)c1-c1nn[nH]n1)c1ccccc1 ZINC000825052454 608020718 /nfs/dbraw/zinc/02/07/18/608020718.db2.gz XBTMXAXFZSBXDL-BBRMVZONSA-N 1 0 396.499 2.510 20 0 GFADRO c1ccc(C[N@@H+]2CCC3(C2)CCN(c2ccc(-c4nn[nH]n4)nc2)CC3)cc1 ZINC000826521541 608099095 /nfs/dbraw/zinc/09/90/95/608099095.db2.gz QLHGLAMVUGNWGL-UHFFFAOYSA-N 1 0 375.480 2.754 20 0 GFADRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)c1ncc(-c2nn[nH]n2)cc1Cl ZINC000825435388 608121266 /nfs/dbraw/zinc/12/12/66/608121266.db2.gz WOUPVLZLAOKBIF-UHFFFAOYSA-N 1 0 399.886 2.639 20 0 GFADRO O=C1NC2(CO1)CC[NH+](Cc1ccc(-c3ccccc3-c3nn[nH]n3)cc1)CC2 ZINC000826482524 608126629 /nfs/dbraw/zinc/12/66/29/608126629.db2.gz HRJCKNLSUFEXMV-UHFFFAOYSA-N 1 0 390.447 2.608 20 0 GFADRO CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]2C[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C[C@@H]21 ZINC000824109852 608129454 /nfs/dbraw/zinc/12/94/54/608129454.db2.gz XAXBXVATRXUHBB-OKZBNKHCSA-N 1 0 398.511 2.992 20 0 GFADRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000825918185 608163684 /nfs/dbraw/zinc/16/36/84/608163684.db2.gz ABHMCWKVUHVRMJ-UHFFFAOYSA-N 1 0 391.479 2.640 20 0 GFADRO c1cc2c(s1)CC[N@@H+](CCNc1nc3c(cc1-c1nn[nH]n1)CCCC3)C2 ZINC000826518341 608278005 /nfs/dbraw/zinc/27/80/05/608278005.db2.gz KAGCDNJTYWUWLK-UHFFFAOYSA-N 1 0 381.509 2.672 20 0 GFADRO C[C@@H](C[C@H](C)[NH2+]CCOc1ccc(-c2nn[nH]n2)cc1)NC(=O)OC(C)(C)C ZINC000824390523 608279519 /nfs/dbraw/zinc/27/95/19/608279519.db2.gz AUWRKKUSQZJAQJ-KBPBESRZSA-N 1 0 390.488 2.527 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)Cc2c(-c3nn[nH]n3)c(C)nn2-c2ccccc2)C[C@H]1C ZINC000825453757 608314287 /nfs/dbraw/zinc/31/42/87/608314287.db2.gz XAGGURYLUGPMPF-CRAIPNDOSA-N 1 0 394.527 2.665 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)Cc2c(-c3nn[nH]n3)c(C)nn2-c2ccccc2)C[C@H]1C ZINC000825453759 608314408 /nfs/dbraw/zinc/31/44/08/608314408.db2.gz XAGGURYLUGPMPF-QAPCUYQASA-N 1 0 394.527 2.665 20 0 GFADRO COc1cc(-c2nn[nH]n2)ccc1CN1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000826168499 608366866 /nfs/dbraw/zinc/36/68/66/608366866.db2.gz PJSUMTVXPHFVPB-QGZVFWFLSA-N 1 0 392.507 2.972 20 0 GFADRO O[C@@]1(Cc2cccc(Cl)c2)CC[N@H+](Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC000826506503 608380059 /nfs/dbraw/zinc/38/00/59/608380059.db2.gz VXYKMKGRJNUQKK-LJQANCHMSA-N 1 0 387.846 2.839 20 0 GFADRO CS[C@@H]1CN(c2c(-c3nn[nH]n3)cnc3ccc(Cl)cc32)C[C@H]1[NH+](C)C ZINC000826227670 608382658 /nfs/dbraw/zinc/38/26/58/608382658.db2.gz VHWRMTPSUKSPRS-HUUCEWRRSA-N 1 0 389.916 2.550 20 0 GFADRO O=C([C@@H]1CC12CC[NH+](Cc1cccc(-c3nn[nH]n3)c1F)CC2)N1CCCCC1 ZINC000826397323 608421302 /nfs/dbraw/zinc/42/13/02/608421302.db2.gz AUKIYAYEMNIGIL-KRWDZBQOSA-N 1 0 398.486 2.620 20 0 GFADRO CC[C@H]([NH2+]CC(=O)NCc1ccc(-c2nn[nH]n2)cc1)c1cccc(Cl)c1 ZINC000825141455 608433881 /nfs/dbraw/zinc/43/38/81/608433881.db2.gz OUUGCHICMCJEEO-KRWDZBQOSA-N 1 0 384.871 2.877 20 0 GFADRO CC[C@H]([NH2+]CC(=O)Nc1oc(C)c(C)c1-c1nn[nH]n1)c1ccccc1OC ZINC000825143514 608455905 /nfs/dbraw/zinc/45/59/05/608455905.db2.gz VZGRDOPOKKZLFD-AWEZNQCLSA-N 1 0 384.440 2.765 20 0 GFADRO CC[C@H]([NH2+][C@H](C)c1ccc(-c2nn[nH]n2)cc1)c1ccccc1OCC(=O)NC ZINC000825143989 608457892 /nfs/dbraw/zinc/45/78/92/608457892.db2.gz XFDYYZNFCKCCDR-KDOFPFPSSA-N 1 0 394.479 2.793 20 0 GFADRO Cc1ccc(CN(C(=O)C[NH2+][C@@H](C)c2ccc(-c3nn[nH]n3)cc2)C2CC2)o1 ZINC000826287335 608460488 /nfs/dbraw/zinc/46/04/88/608460488.db2.gz KQTRZABDZSSLSE-AWEZNQCLSA-N 1 0 380.452 2.610 20 0 GFADRO O[C@H](COCc1cccs1)C[N@H+]1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826503735 608461244 /nfs/dbraw/zinc/46/12/44/608461244.db2.gz DVZRSUJWMNWQSS-SFHVURJKSA-N 1 0 397.504 2.595 20 0 GFADRO CN(C)C(=O)c1cccc(C[N@H+]2CC=C(c3ccc(-c4nn[nH]n4)cc3)CC2)c1 ZINC000825848278 608461786 /nfs/dbraw/zinc/46/17/86/608461786.db2.gz BMATVVYAZZLJBC-UHFFFAOYSA-N 1 0 388.475 2.858 20 0 GFADRO COc1ccccc1[C@@H](C)N(C)C(=O)C[NH2+][C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000826219109 608466166 /nfs/dbraw/zinc/46/61/66/608466166.db2.gz TUMVUIFVBWWWBW-HUUCEWRRSA-N 1 0 394.479 2.746 20 0 GFADRO C[C@@H]([NH2+]CCS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)C(C)(C)c1ccccc1 ZINC000824600245 608477675 /nfs/dbraw/zinc/47/76/75/608477675.db2.gz YREDRIDWGLWGPU-OAHLLOKOSA-N 1 0 399.520 2.596 20 0 GFADRO CC(C)N(Cc1ccccc1)C(=O)C[NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1 ZINC000824553747 608482002 /nfs/dbraw/zinc/48/20/02/608482002.db2.gz GVCHSYBWUSSRJZ-INIZCTEOSA-N 1 0 378.480 2.955 20 0 GFADRO C[C@@H](C(=O)N1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1)[NH+]1CCCCCC1 ZINC000824040956 608484209 /nfs/dbraw/zinc/48/42/09/608484209.db2.gz VSDVVBNTNVJUCT-INIZCTEOSA-N 1 0 380.496 2.747 20 0 GFADRO CCSc1ccc([C@H](C)[NH2+]CC(=O)NCc2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000825674920 608495644 /nfs/dbraw/zinc/49/56/44/608495644.db2.gz VAEBJKXBYXDKNN-AWEZNQCLSA-N 1 0 396.520 2.946 20 0 GFADRO CCNC(=O)c1ccc(C[NH2+][C@H]2CCCc3cc(-c4nn[nH]n4)ccc32)cc1 ZINC000825476734 608502044 /nfs/dbraw/zinc/50/20/44/608502044.db2.gz UPKFUMHXFVXSKG-IBGZPJMESA-N 1 0 376.464 2.784 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCCc2cc(-c3nn[nH]n3)ccc21)C(=O)NCc1ccccc1 ZINC000824547657 608505234 /nfs/dbraw/zinc/50/52/34/608505234.db2.gz REGPDCBEKLGFLP-IFXJQAMLSA-N 1 0 376.464 2.539 20 0 GFADRO CS(=O)(=O)Cc1cccc(C[NH2+][C@@H]2CCCc3cc(-c4nn[nH]n4)ccc32)c1 ZINC000826222746 608507691 /nfs/dbraw/zinc/50/76/91/608507691.db2.gz LBITWNKAGASJPP-LJQANCHMSA-N 1 0 397.504 2.579 20 0 GFADRO COc1ccc([C@@H](CCO)[NH2+][C@@H]2CCCc3cc(-c4nn[nH]n4)ccc32)cc1 ZINC000826188563 608517935 /nfs/dbraw/zinc/51/79/35/608517935.db2.gz ARAOGLQOTPTTOS-WOJBJXKFSA-N 1 0 379.464 2.966 20 0 GFADRO Cc1ccoc1C(=O)NCCC[NH2+][C@H]1CCCc2cc(-c3nn[nH]n3)ccc21 ZINC000826315617 608521317 /nfs/dbraw/zinc/52/13/17/608521317.db2.gz OCSNJPDWLWAQPU-KRWDZBQOSA-N 1 0 380.452 2.555 20 0 GFADRO COc1cc(NCC[NH2+][C@@H]2CCCc3cc(-c4nn[nH]n4)ccc32)cc(OC)c1 ZINC000826180298 608525230 /nfs/dbraw/zinc/52/52/30/608525230.db2.gz AQCBUFSQLKQWHO-HXUWFJFHSA-N 1 0 394.479 2.963 20 0 GFADRO CSc1cccc(NC(=O)C[NH2+]C2(c3cccc(-c4nn[nH]n4)c3)CC2)c1 ZINC000826230617 608527558 /nfs/dbraw/zinc/52/75/58/608527558.db2.gz BNNXCKKLAQPVJW-UHFFFAOYSA-N 1 0 380.477 2.806 20 0 GFADRO O=S(=O)(CC[NH2+][C@H](CC1CC1)c1ccccc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000826484647 608528399 /nfs/dbraw/zinc/52/83/99/608528399.db2.gz KMXDCWJTEMDDHJ-LJQANCHMSA-N 1 0 397.504 2.771 20 0 GFADRO COC[C@@H]([NH2+]CCOc1cccc(-c2nn[nH]n2)c1)c1ccc(F)c(F)c1 ZINC000826151215 608551981 /nfs/dbraw/zinc/55/19/81/608551981.db2.gz WLKLOWHVTHYXTD-QGZVFWFLSA-N 1 0 375.379 2.501 20 0 GFADRO O=C(C[NH2+][C@H](C[C@@H]1CCOC1)c1ccccc1)Nc1sccc1-c1nn[nH]n1 ZINC000826412326 608552415 /nfs/dbraw/zinc/55/24/15/608552415.db2.gz KGSSOZRPIQQRSN-XJKSGUPXSA-N 1 0 398.492 2.624 20 0 GFADRO COCC[N@H+](Cc1cnc2ccc(-c3nn[nH]n3)cn12)[C@H](C)c1ccccc1 ZINC000826159457 608565309 /nfs/dbraw/zinc/56/53/09/608565309.db2.gz GRXGYTGIRHOAMR-OAHLLOKOSA-N 1 0 377.452 2.724 20 0 GFADRO CC(C)(C)OC(=O)C1CCC([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)CC1 ZINC000824092913 608566496 /nfs/dbraw/zinc/56/64/96/608566496.db2.gz BSNHFIVBVBXFQM-UHFFFAOYSA-N 1 0 375.448 2.996 20 0 GFADRO CC(C)(C)OC(=O)NC[C@@H]1CCC[N@H+](Cc2cc(-c3nn[nH]n3)cs2)C1 ZINC000824109373 608634463 /nfs/dbraw/zinc/63/44/63/608634463.db2.gz OHODFISZTFGRGP-LBPRGKRZSA-N 1 0 378.502 2.665 20 0 GFADRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(Cc2cnc3ccc(-c4nn[nH]n4)cn23)C1 ZINC000824935733 608638951 /nfs/dbraw/zinc/63/89/51/608638951.db2.gz CRWHGPXEODARBB-DLBZAZTESA-N 1 0 394.527 2.601 20 0 GFADRO CC1(O)CC[NH+](Cc2cccc(OCc3ccccc3-c3nn[nH]n3)c2)CC1 ZINC000824844237 608703263 /nfs/dbraw/zinc/70/32/63/608703263.db2.gz SXROFABTMXBGFT-UHFFFAOYSA-N 1 0 379.464 2.793 20 0 GFADRO COc1cc(-c2nn[nH]n2)ccc1C[N@@H+]1CCC[C@@H]1Cn1cnc2ccccc21 ZINC000826169030 608802145 /nfs/dbraw/zinc/80/21/45/608802145.db2.gz GKTMKCSUCRQJRG-QGZVFWFLSA-N 1 0 389.463 2.890 20 0 GFADRO Cn1cc(C[N@H+]2CC=C(c3ccc(-c4nn[nH]n4)cc3)CC2)c(-c2cccnc2)n1 ZINC000826360391 608858412 /nfs/dbraw/zinc/85/84/12/608858412.db2.gz IVRYVKWUPSTYHO-UHFFFAOYSA-N 1 0 398.474 2.952 20 0 GFADRO C[C@@H]([NH2+][C@@H]1CC(=O)N(c2c(F)cccc2F)C1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824537425 608883911 /nfs/dbraw/zinc/88/39/11/608883911.db2.gz DZHMEANZVLYCBS-BXUZGUMPSA-N 1 0 384.390 2.601 20 0 GFADRO COc1cc(-c2nn[nH]n2)ccc1OCC[N@@H+]1CC[C@H](COc2ccccc2)C1 ZINC000826175552 609147821 /nfs/dbraw/zinc/14/78/21/609147821.db2.gz IWGQISKRTUWPIP-INIZCTEOSA-N 1 0 395.463 2.655 20 0 GFADRO CC[C@@H]1CN(C(=O)C(C)C)CC[C@@H]1[NH2+][C@H](C)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000825204468 609148545 /nfs/dbraw/zinc/14/85/45/609148545.db2.gz RBTAKTCFFYTSNL-LBTNJELSSA-N 1 0 388.491 2.940 20 0 GFADRO Cc1cc(N2CCC([NH2+][C@H](C)c3ccc(-c4nn[nH]n4)c(F)c3)CC2)nc(C)n1 ZINC000826269254 609149185 /nfs/dbraw/zinc/14/91/85/609149185.db2.gz GFKLILLAOZUMGJ-CYBMUJFWSA-N 1 0 396.474 2.732 20 0 GFADRO COc1cc(-c2nn[nH]n2)ccc1OCC[N@@H+]1C[C@@H](C(F)(F)F)CC[C@H]1C ZINC000826175476 609149297 /nfs/dbraw/zinc/14/92/97/609149297.db2.gz GQKVFLKMZSCLFU-YPMHNXCESA-N 1 0 385.390 2.917 20 0 GFADRO CC(C)[C@@H]1C[C@H]([NH2+]C2CCC(Oc3ccc(-c4nn[nH]n4)cn3)CC2)CCO1 ZINC000824216397 609155345 /nfs/dbraw/zinc/15/53/45/609155345.db2.gz QYBTYPKVPBJYNX-FPQWYMTMSA-N 1 0 386.500 2.745 20 0 GFADRO C[NH+]1CCC(C)(CNC(=O)Nc2ccc(-c3nn[nH]n3)c(C(F)(F)F)c2)CC1 ZINC000826023214 609158143 /nfs/dbraw/zinc/15/81/43/609158143.db2.gz YYSRAOHCLKBBBN-UHFFFAOYSA-N 1 0 397.405 2.739 20 0 GFADRO C[C@@H]([NH2+][C@@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O)c1ccc(Cl)nc1 ZINC000824545385 609168817 /nfs/dbraw/zinc/16/88/17/609168817.db2.gz CGBCFLYGIORTSJ-MLGOLLRUSA-N 1 0 397.870 2.761 20 0 GFADRO C[C@H]([NH2+][C@]1(CO)CCCN(Cc2ccccc2)C1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824539178 609235200 /nfs/dbraw/zinc/23/52/00/609235200.db2.gz MGMNNNDMOAYIGI-HTAPYJJXSA-N 1 0 392.507 2.544 20 0 GFADRO C[C@@H]1CCC[C@](CNC(=O)c2ccc(Cl)c(-c3nn[nH]n3)c2)([NH+](C)C)C1 ZINC000824925998 609297643 /nfs/dbraw/zinc/29/76/43/609297643.db2.gz IDMCTOASODJINJ-XIKOKIGWSA-N 1 0 376.892 2.760 20 0 GFADRO COCc1ccccc1C[NH2+]Cc1cn(C)nc1-c1ccc(-c2nn[nH]n2)cc1 ZINC000826165032 609335143 /nfs/dbraw/zinc/33/51/43/609335143.db2.gz CDKICMBAKJVWLW-UHFFFAOYSA-N 1 0 389.463 2.703 20 0 GFADRO CC[C@@H]1CCCC[N@@H+]1CCNCc1cn(C)nc1-c1ccc(-c2nn[nH]n2)cc1 ZINC000825195011 609339381 /nfs/dbraw/zinc/33/93/81/609339381.db2.gz UPAZNVUIPWMZIW-LJQANCHMSA-N 1 0 394.527 2.621 20 0 GFADRO CC(C)C[C@@H]1C[C@@H]([NH2+]Cc2cn(C)nc2-c2ccc(-c3nn[nH]n3)cc2)CCO1 ZINC000824243485 609343939 /nfs/dbraw/zinc/34/39/39/609343939.db2.gz HHTUAEDQFCSQEV-RBUKOAKNSA-N 1 0 395.511 2.951 20 0 GFADRO Brc1cc(-c2nn[nH]n2)ccc1C[NH+]1CCC(n2cccn2)CC1 ZINC000823821449 609360639 /nfs/dbraw/zinc/36/06/39/609360639.db2.gz ULPZJFISPBNUSD-UHFFFAOYSA-N 1 0 388.273 2.663 20 0 GFADRO Brc1cc(-c2nn[nH]n2)ccc1C[N@@H+]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000823821480 609365701 /nfs/dbraw/zinc/36/57/01/609365701.db2.gz URZSBJLZOZVZRR-DZGCQCFKSA-N 1 0 392.301 2.878 20 0 GFADRO c1[nH]c(-c2nn[nH]n2)cc1-c1nc(-c2cccc(C[NH+]3CCCCC3)c2)no1 ZINC000826515785 609412382 /nfs/dbraw/zinc/41/23/82/609412382.db2.gz KUVKIGLJEWLKLY-UHFFFAOYSA-N 1 0 376.424 2.898 20 0 GFADRO OC[C@@H]([NH2+]Cc1ccc(F)cc1-c1nn[nH]n1)c1ccc(Br)cc1 ZINC000826508324 609427342 /nfs/dbraw/zinc/42/73/42/609427342.db2.gz MKPVWPYHRDVSHD-OAHLLOKOSA-N 1 0 392.232 2.592 20 0 GFADRO C[C@H]([NH2+]CCOc1cccc(-c2nn[nH]n2)c1)c1cccc(-n2ccnc2)c1 ZINC000824598977 609441284 /nfs/dbraw/zinc/44/12/84/609441284.db2.gz KRZVQNQJNGZQSV-HNNXBMFYSA-N 1 0 375.436 2.782 20 0 GFADRO c1csc([C@H](CNc2nc3ccccn3c2-c2nn[nH]n2)[NH+]2CCCC2)c1 ZINC000826526236 609458472 /nfs/dbraw/zinc/45/84/72/609458472.db2.gz QBHDBOCWTQBZKV-ZDUSSCGKSA-N 1 0 380.481 2.825 20 0 GFADRO C[N@@H+]1CCCN(C(=O)Nc2ccc(Oc3cccc(-c4nn[nH]n4)c3)cc2)CC1 ZINC000826034848 609494710 /nfs/dbraw/zinc/49/47/10/609494710.db2.gz XLJZNUWQEZDQNO-UHFFFAOYSA-N 1 0 393.451 2.828 20 0 GFADRO CC(C)(C)OC(=O)CCCC[NH+]1CCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000824100856 609517716 /nfs/dbraw/zinc/51/77/16/609517716.db2.gz ZBJOYULFPXSOKS-UHFFFAOYSA-N 1 0 386.500 2.501 20 0 GFADRO C[NH+](C)C1CCC(NC(=O)NC[C@@H](O)c2ccccc2Br)CC1 ZINC000817177585 660185008 /nfs/dbraw/zinc/18/50/08/660185008.db2.gz GWIJINMHQPZXSB-SEEARECTSA-N 1 0 384.318 2.655 20 0 GFADRO CN(Cc1ccc(Cl)s1)C(=O)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000507211198 650456368 /nfs/dbraw/zinc/45/63/68/650456368.db2.gz GIJBTCFPYAWKBA-UHFFFAOYSA-N 1 0 375.841 2.579 20 0 GFADRO [NH3+][C@H]1CCCCC[C@H]1NCCOc1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000817916524 660211915 /nfs/dbraw/zinc/21/19/15/660211915.db2.gz GYGALLBORQVFSG-LSDHHAIUSA-N 1 0 380.432 2.609 20 0 GFADRO O=C(NC[C@@H](O)c1ccc(Cl)cc1Cl)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000817935531 660212173 /nfs/dbraw/zinc/21/21/73/660212173.db2.gz IBJIJNWHDNJQFE-XJKSGUPXSA-N 1 0 383.279 2.578 20 0 GFADRO CC(C)(C)S(=O)(=O)CC[NH2+]CCC(=O)Nc1ccc(Br)cc1 ZINC000818968288 660239269 /nfs/dbraw/zinc/23/92/69/660239269.db2.gz PMPSJYICSHCAFD-UHFFFAOYSA-N 1 0 391.331 2.581 20 0 GFADRO C[NH+](C)CCn1nccc1NC(=O)c1nc(Br)sc1C1CC1 ZINC000818938369 660236035 /nfs/dbraw/zinc/23/60/35/660236035.db2.gz VTGMWWOWEICJBQ-UHFFFAOYSA-N 1 0 384.303 2.793 20 0 GFADRO O=S(=O)(CC[NH2+]C[C@@H](O)c1cccc(Br)c1)Cc1ccccc1 ZINC000818977013 660240553 /nfs/dbraw/zinc/24/05/53/660240553.db2.gz QICYTGKVKOHPNE-QGZVFWFLSA-N 1 0 398.322 2.687 20 0 GFADRO O=C1C[C@H]([NH2+]C[C@H](O)c2cccc(Br)c2)CN1c1ccccc1 ZINC000818979987 660240803 /nfs/dbraw/zinc/24/08/03/660240803.db2.gz YMBNSCXMSDKHHT-RDJZCZTQSA-N 1 0 375.266 2.878 20 0 GFADRO O=C1C[C@H]([NH2+]C[C@@H](O)c2ccccc2Br)CN1c1ccccc1 ZINC000818979575 660240881 /nfs/dbraw/zinc/24/08/81/660240881.db2.gz QGJXEFDPPGTCTI-SUMWQHHRSA-N 1 0 375.266 2.878 20 0 GFADRO COC(=O)N1CCC[C@H]([NH2+]C[C@@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000819001520 660242880 /nfs/dbraw/zinc/24/28/80/660242880.db2.gz DCPKGAOBKDYHOI-QWHCGFSZSA-N 1 0 377.268 2.554 20 0 GFADRO CC(C)(C)S(=O)(=O)CC[NH2+]C[C@](C)(O)c1ccc(Br)cc1F ZINC000819060925 660245020 /nfs/dbraw/zinc/24/50/20/660245020.db2.gz MDNOLTHJDZXETK-HNNXBMFYSA-N 1 0 396.322 2.599 20 0 GFADRO CC(C)OCCN1CCC([NH2+]C[C@@H](O)c2ccc(Br)cc2)CC1 ZINC000819128011 660247311 /nfs/dbraw/zinc/24/73/11/660247311.db2.gz DDUQLXGLHAFCHU-GOSISDBHSA-N 1 0 385.346 2.962 20 0 GFADRO O[C@@H](C[NH2+][C@H]1CCN(c2ncccc2F)C1)c1ccccc1Br ZINC000819150311 660248034 /nfs/dbraw/zinc/24/80/34/660248034.db2.gz QYFRPBNRBIQBSJ-LRDDRELGSA-N 1 0 380.261 2.885 20 0 GFADRO CCS(=O)(=O)CC[NH2+]CCN(C(=O)OC(C)(C)C)C1CCCCCC1 ZINC000819154543 660248202 /nfs/dbraw/zinc/24/82/02/660248202.db2.gz IRYNUVZBCJRSIE-UHFFFAOYSA-N 1 0 376.563 2.971 20 0 GFADRO C[NH+]1CCN(c2ccc(Br)cc2NC(=O)/C=C\[C@@H]2CCCO2)CC1 ZINC000819186302 660249256 /nfs/dbraw/zinc/24/92/56/660249256.db2.gz XVCJJHUCXVYZLC-PKYBCLHXSA-N 1 0 394.313 2.875 20 0 GFADRO O=S1(=O)CCCN1c1cccc(C[NH2+]C[C@@H](O)c2cccc(Cl)c2)c1 ZINC000819235867 660251227 /nfs/dbraw/zinc/25/12/27/660251227.db2.gz YKARVRARGOWJTE-GOSISDBHSA-N 1 0 380.897 2.703 20 0 GFADRO O=C1[C@H]([NH2+]C[C@H](O)c2ccc(F)cn2)CCN1c1ccc(Cl)c(Cl)c1 ZINC000819212186 660250370 /nfs/dbraw/zinc/25/03/70/660250370.db2.gz JNAHACWMNLRNSW-CVEARBPZSA-N 1 0 384.238 2.956 20 0 GFADRO Cn1ccnc1[C@@H]1C[C@@H]([NH2+]C[C@@H](O)c2cccc(Br)c2)CCO1 ZINC000819360963 660256780 /nfs/dbraw/zinc/25/67/80/660256780.db2.gz MOGCHGZNFIJOSK-XHSDSOJGSA-N 1 0 380.286 2.726 20 0 GFADRO CS(=O)(=O)c1ccc(C[NH2+]C[C@@H](O)c2c(F)cccc2F)cc1Cl ZINC000819264549 660252746 /nfs/dbraw/zinc/25/27/46/660252746.db2.gz WZCPROJABSEEAI-CQSZACIVSA-N 1 0 375.824 2.845 20 0 GFADRO O[C@@H](C[NH2+]C1CCN(c2cccnn2)CC1)c1cccc(Br)c1 ZINC000819264055 660252749 /nfs/dbraw/zinc/25/27/49/660252749.db2.gz JLGHXBKIUBXZLS-INIZCTEOSA-N 1 0 377.286 2.531 20 0 GFADRO Cc1cc(C[NH2+]C[C@@H](O)c2ccc(Cl)cc2Cl)ccc1S(N)(=O)=O ZINC000819265647 660252751 /nfs/dbraw/zinc/25/27/51/660252751.db2.gz ABQURJCFJAJUPP-OAHLLOKOSA-N 1 0 389.304 2.772 20 0 GFADRO Cc1ccc([C@@H](O)C[NH2+]CCNS(=O)(=O)c2ccc(Cl)cc2C)cc1 ZINC000819307920 660254531 /nfs/dbraw/zinc/25/45/31/660254531.db2.gz CADPVPNUZRASFY-KRWDZBQOSA-N 1 0 382.913 2.558 20 0 GFADRO O=S1(=O)C[C@@H](C[NH2+]C[C@@H](O)c2ccccc2Br)c2ccccc21 ZINC000819338089 660255736 /nfs/dbraw/zinc/25/57/36/660255736.db2.gz WCTFEORAJKANMA-MLGOLLRUSA-N 1 0 396.306 2.643 20 0 GFADRO C[C@]1(CC[NH2+]C[C@H](O)COc2ccc3c(c2)CCC(=O)N3)CC1(Cl)Cl ZINC000819349575 660256121 /nfs/dbraw/zinc/25/61/21/660256121.db2.gz LDCVGDMBNDCNEH-GUYCJALGSA-N 1 0 387.307 2.875 20 0 GFADRO Cc1ccc(Br)c(C(=O)Nc2cccc(C[N@@H+]3CC[C@H](O)C3)c2)n1 ZINC000819974388 660276841 /nfs/dbraw/zinc/27/68/41/660276841.db2.gz SCVYIJQCLAEQFF-HNNXBMFYSA-N 1 0 390.281 2.971 20 0 GFADRO O=C(N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)c1nc(F)ccc1Br ZINC000820092330 660280676 /nfs/dbraw/zinc/28/06/76/660280676.db2.gz CIPGZGAYECZIGS-VIKVFOODSA-N 1 0 390.256 2.843 20 0 GFADRO Cc1cc(I)cc(C(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)c1 ZINC000820343232 660290077 /nfs/dbraw/zinc/29/00/77/660290077.db2.gz SDMKAWPNIQDTHF-MRXNPFEDSA-N 1 0 384.261 2.767 20 0 GFADRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)c3cc(F)cc(Br)c3F)[C@H]2C1 ZINC000820592352 660298512 /nfs/dbraw/zinc/29/85/12/660298512.db2.gz BQOUCUAGUMXAHF-UONOGXRCSA-N 1 0 389.240 2.663 20 0 GFADRO C[NH+](C)C[C@](C)(O)CNc1ncc(I)c2ccccc21 ZINC000820680636 660302650 /nfs/dbraw/zinc/30/26/50/660302650.db2.gz CRAVIDDIHZKIMD-OAHLLOKOSA-N 1 0 385.249 2.564 20 0 GFADRO [NH3+]C1CC2(C1)CC(NS(=O)(=O)c1ccc(Br)cc1Cl)C2 ZINC000842795904 661354822 /nfs/dbraw/zinc/35/48/22/661354822.db2.gz OZTLZKNIKPDLBY-UHFFFAOYSA-N 1 0 379.707 2.651 20 0 GFADRO CC(C)[NH2+]C1(CO)CCN(C(=O)c2cnc(CCC(F)(F)F)s2)CC1 ZINC000821268812 660319660 /nfs/dbraw/zinc/31/96/60/660319660.db2.gz AAJOMVBKMDCVEV-UHFFFAOYSA-N 1 0 379.448 2.603 20 0 GFADRO C[NH+](C)CCN(Cc1cccc(O)c1)C(=O)c1csc(Br)n1 ZINC000821065379 660314606 /nfs/dbraw/zinc/31/46/06/660314606.db2.gz NFTCJGLEZJYWLG-UHFFFAOYSA-N 1 0 384.299 2.815 20 0 GFADRO COc1ccccc1C[N@H+](CCn1cnc(Br)n1)C[C@@H]1CCCO1 ZINC000821353729 660322689 /nfs/dbraw/zinc/32/26/89/660322689.db2.gz AGHMPTBTRJTXRV-HNNXBMFYSA-N 1 0 395.301 2.730 20 0 GFADRO COCC[N@H+](C)CCCNC(=O)C(F)(F)c1ccc(Br)cc1 ZINC000821884663 660336307 /nfs/dbraw/zinc/33/63/07/660336307.db2.gz SXTMURWRSVVUSB-UHFFFAOYSA-N 1 0 379.245 2.625 20 0 GFADRO CC(C)(C[NH+]1CCCC1)NC(=O)C[C@H]1C(=O)Nc2c1cccc2Br ZINC000822135921 660340738 /nfs/dbraw/zinc/34/07/38/660340738.db2.gz PQKWBKSOKSBKCW-CYBMUJFWSA-N 1 0 394.313 2.866 20 0 GFADRO CC(C)(C[NH+]1CCCC1)NC(=O)C[C@H]1C(=O)Nc2ccc(Br)cc21 ZINC000822134174 660340742 /nfs/dbraw/zinc/34/07/42/660340742.db2.gz AFNMTJFLMAZZLA-CQSZACIVSA-N 1 0 394.313 2.866 20 0 GFADRO Cc1[nH]nc(Br)c1C(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000822151746 660340941 /nfs/dbraw/zinc/34/09/41/660340941.db2.gz ODYHONLJZOXQKN-UHFFFAOYSA-N 1 0 397.239 2.969 20 0 GFADRO O=C(NCC1CC[NH+](C2CCOCC2)CC1)Nc1cccnc1Br ZINC000822023313 660338785 /nfs/dbraw/zinc/33/87/85/660338785.db2.gz PTBGPDGMGRFSTA-UHFFFAOYSA-N 1 0 397.317 2.857 20 0 GFADRO C[C@@H]1CCC[N@H+](CCNC(=O)c2ccc(C(F)(F)Br)nc2)C1 ZINC000822100257 660340424 /nfs/dbraw/zinc/34/04/24/660340424.db2.gz BXNJKUQZLXKYNX-LLVKDONJSA-N 1 0 376.245 2.988 20 0 GFADRO C[N@@H+]1CCC[C@H](CCNC(=O)[C@@](C)(O)c2ccc(F)c(Br)c2)C1 ZINC000822453328 660345814 /nfs/dbraw/zinc/34/58/14/660345814.db2.gz JCCJMNIQSMTMHA-PXAZEXFGSA-N 1 0 387.293 2.644 20 0 GFADRO CCOc1ccc(Br)cc1-c1noc([C@@]2(COC)CC[NH2+]C2)n1 ZINC000822941178 660358594 /nfs/dbraw/zinc/35/85/94/660358594.db2.gz AAQQJDKJHQXCEY-INIZCTEOSA-N 1 0 382.258 2.775 20 0 GFADRO CC(C)[C@@H]([NH2+]Cc1ccc(S(=O)(=O)N(C)C)s1)[C@H](O)c1ccccc1 ZINC000823109821 660361991 /nfs/dbraw/zinc/36/19/91/660361991.db2.gz DUUFZHPLLTZJLH-QZTJIDSGSA-N 1 0 382.551 2.846 20 0 GFADRO C[C@H](NC(=O)Cc1noc(C[C@@H]2CC[NH2+]C2)n1)c1ccc(Cl)cc1Cl ZINC000823128211 660362574 /nfs/dbraw/zinc/36/25/74/660362574.db2.gz FVVFJKVQERNXJB-QWRGUYRKSA-N 1 0 383.279 2.948 20 0 GFADRO Cn1c(C(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)cc2cc(Br)cnc21 ZINC000823275957 660367057 /nfs/dbraw/zinc/36/70/57/660367057.db2.gz IYKGJCMPEQKSFA-XHDPSFHLSA-N 1 0 377.286 2.502 20 0 GFADRO Brc1cc(-c2nn[nH]n2)ccc1C[NH+]1CCC([C@@H]2CCOC2)CC1 ZINC000823820145 660380691 /nfs/dbraw/zinc/38/06/91/660380691.db2.gz AJGXPAYQFTYTLE-OAHLLOKOSA-N 1 0 392.301 2.878 20 0 GFADRO COc1cc(C)ccc1C[NH2+]CC1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000823848250 660381833 /nfs/dbraw/zinc/38/18/33/660381833.db2.gz RDWFBSWXFOZCFB-UHFFFAOYSA-N 1 0 380.432 2.655 20 0 GFADRO Cc1[nH]nc(Br)c1C(=O)N[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000824082043 660384968 /nfs/dbraw/zinc/38/49/68/660384968.db2.gz AQFIKVQZBYOXGS-KRWDZBQOSA-N 1 0 377.286 2.875 20 0 GFADRO C[C@H](CCCNC(=O)OC(C)(C)C)[NH2+]C1CCC(CS(C)(=O)=O)CC1 ZINC000824500896 660394688 /nfs/dbraw/zinc/39/46/88/660394688.db2.gz AGEDBTIVCJAKIT-QQFBHYJXSA-N 1 0 376.563 2.873 20 0 GFADRO Cn1c(Cl)cnc1-c1csc(NC(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)n1 ZINC000824515843 660395435 /nfs/dbraw/zinc/39/54/35/660395435.db2.gz OIFSGYJNGOFEEQ-JQWIXIFHSA-N 1 0 380.905 2.945 20 0 GFADRO Cn1c(Cl)cnc1-c1csc(NC(=O)N2CC[NH+](CC3CC3)CC2)n1 ZINC000824516863 660395490 /nfs/dbraw/zinc/39/54/90/660395490.db2.gz VVTZQPDQZTUGAL-UHFFFAOYSA-N 1 0 380.905 2.757 20 0 GFADRO CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@]2(C)CC2(Br)Br)C1 ZINC000824638793 660398503 /nfs/dbraw/zinc/39/85/03/660398503.db2.gz CBEXQGSYXVVOJU-CMPLNLGQSA-N 1 0 382.140 2.731 20 0 GFADRO CCOC(=O)C(F)(F)[C@@H]1CC[C@H]([NH2+]Cc2nn(C)cc2Br)C1 ZINC000824780535 660401839 /nfs/dbraw/zinc/40/18/39/660401839.db2.gz SBXGRQATHZZTGL-ZJUUUORDSA-N 1 0 380.233 2.639 20 0 GFADRO CCOC(=O)C(F)(F)[C@@H]1CC[C@H]([NH2+]Cc2cccc(S(C)(=O)=O)c2)C1 ZINC000824790333 660401939 /nfs/dbraw/zinc/40/19/39/660401939.db2.gz RUZSBQLASFVKAD-KGLIPLIRSA-N 1 0 375.437 2.547 20 0 GFADRO Cc1c(Br)cncc1C[N@H+]1CCC[C@H]1C[C@H](O)c1cnn(C)c1 ZINC000824950305 660406122 /nfs/dbraw/zinc/40/61/22/660406122.db2.gz RFWWSRXXDMXWAU-RDJZCZTQSA-N 1 0 379.302 2.974 20 0 GFADRO CCN(C(=O)c1cnn(Cc2ccccc2)c1Br)[C@H]1CC[N@H+](C)C1 ZINC000824840533 660403341 /nfs/dbraw/zinc/40/33/41/660403341.db2.gz BCULWQKSRFTTOG-HNNXBMFYSA-N 1 0 391.313 2.860 20 0 GFADRO CC(C)[C@@H](CNC(=O)OC(C)(C)C)C[N@@H+]1CCCC[C@@H]1CS(C)(=O)=O ZINC000824913770 660404893 /nfs/dbraw/zinc/40/48/93/660404893.db2.gz FEBLNRNDKUAQKZ-JKSUJKDBSA-N 1 0 376.563 2.682 20 0 GFADRO O[C@H](C[NH2+]Cc1cnc(N2CCCC2)nc1)c1ccccc1Br ZINC000825337210 660421565 /nfs/dbraw/zinc/42/15/65/660421565.db2.gz DZDNYPXSWFNEBF-MRXNPFEDSA-N 1 0 377.286 2.663 20 0 GFADRO O=S(=O)(c1ccc(OCC[NH2+][C@H]2CO[C@H](C3CC3)C2)cc1)C(F)(F)F ZINC000825380022 660423973 /nfs/dbraw/zinc/42/39/73/660423973.db2.gz WDEZJNBBPOWIPU-DOMZBBRYSA-N 1 0 379.400 2.516 20 0 GFADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1c(Cl)cc(F)cc1Br ZINC000825517636 660431787 /nfs/dbraw/zinc/43/17/87/660431787.db2.gz XPDKUGHADHHJNA-MNOVXSKESA-N 1 0 391.668 2.835 20 0 GFADRO COC1CC[NH+](CCNC(=O)c2cc3c(ccc(F)c3Br)[nH]2)CC1 ZINC000826734877 660462698 /nfs/dbraw/zinc/46/26/98/660462698.db2.gz UPSAOMAVEFZDHV-UHFFFAOYSA-N 1 0 398.276 2.910 20 0 GFADRO O=C(NC[C@H]1CCC[N@H+](CC2CC2)C1)c1ccc2c(Br)cnn2c1 ZINC000826751944 660463324 /nfs/dbraw/zinc/46/33/24/660463324.db2.gz VRNDKFMNOMOYHD-CQSZACIVSA-N 1 0 391.313 2.949 20 0 GFADRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)[C@H](O)c2ccc(Cl)c(Cl)c2)C1 ZINC000826763984 660463900 /nfs/dbraw/zinc/46/39/00/660463900.db2.gz KYDWUNIUBODGBG-RHSMWYFYSA-N 1 0 389.323 2.986 20 0 GFADRO C[C@]1(C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)CC1(Br)Br ZINC000826809978 660465518 /nfs/dbraw/zinc/46/55/18/660465518.db2.gz NSZQVPNQEFFJHL-DGCLKSJQSA-N 1 0 394.151 2.969 20 0 GFADRO CO[C@@H]1CCC[C@H]([C@H](CO)[NH2+]Cc2nc3ccccn3c2Br)C1 ZINC000826901951 660471011 /nfs/dbraw/zinc/47/10/11/660471011.db2.gz FLBNLZRQRVCGRS-GUTXKFCHSA-N 1 0 382.302 2.753 20 0 GFADRO C[C@]12CCN(C(=O)CC[C@@H]3CC[NH2+]C3)C[C@H]1C2(Br)Br ZINC000852901729 661876890 /nfs/dbraw/zinc/87/68/90/661876890.db2.gz PNSQXVSOXYXTED-WZRBSPASSA-N 1 0 394.151 2.731 20 0 GFADRO O=C(c1c(Br)nc2n1CCC2)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000827149062 660481408 /nfs/dbraw/zinc/48/14/08/660481408.db2.gz UTRFYBQKMFRTLK-JSGCOSHPSA-N 1 0 393.329 2.681 20 0 GFADRO C[N@@H+]1CCCC[C@H](CNC(=O)C[C@H]2C(=O)Nc3ccc(Br)cc32)C1 ZINC000827199086 660483809 /nfs/dbraw/zinc/48/38/09/660483809.db2.gz BZYPMUAUHHXAGH-IUODEOHRSA-N 1 0 394.313 2.723 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3[C@@H]4Cc5ccc(Br)cc5[C@@H]43)CC[C@@H]21 ZINC000827216768 660484694 /nfs/dbraw/zinc/48/46/94/660484694.db2.gz DIRDVYZNNWFJBT-UWLPGLTFSA-N 1 0 375.310 2.887 20 0 GFADRO COc1ccc(CCC(=O)N2CC[C@H]3[C@H](CC[N@@H+]3C)C2)c(Br)c1 ZINC000827216649 660484716 /nfs/dbraw/zinc/48/47/16/660484716.db2.gz BXCGMXOIFYBLNF-PBHICJAKSA-N 1 0 381.314 2.943 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(-n4cc(Br)cn4)cc3)CC[C@H]21 ZINC000827348021 660490335 /nfs/dbraw/zinc/49/03/35/660490335.db2.gz ZHPMHIKZHUNPJR-RHSMWYFYSA-N 1 0 389.297 2.801 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(I)cc3F)CC[C@H]21 ZINC000827245125 660485988 /nfs/dbraw/zinc/48/59/88/660485988.db2.gz IKNZLACTMCIEBE-QMTHXVAHSA-N 1 0 388.224 2.597 20 0 GFADRO C[N@@H+]1CC[C@H]2CN(C(=O)c3cc(Br)cnc3OCC3CC3)CC[C@@H]21 ZINC000827254186 660486234 /nfs/dbraw/zinc/48/62/34/660486234.db2.gz OQYWSRYULCDTLP-BBRMVZONSA-N 1 0 394.313 2.799 20 0 GFADRO CC(C)[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000827253477 660486244 /nfs/dbraw/zinc/48/62/44/660486244.db2.gz HSZKXECCFMFCAE-WOSRLPQWSA-N 1 0 383.945 2.709 20 0 GFADRO C[N@@H+]1CC[C@H]2CN(C(=O)c3cnn(-c4ccccc4)c3Br)CC[C@@H]21 ZINC000827287495 660487859 /nfs/dbraw/zinc/48/78/59/660487859.db2.gz KXTUNXSTZATKLF-BBRMVZONSA-N 1 0 389.297 2.801 20 0 GFADRO C[N@@H+]1CC[C@H](NC(=O)c2c(Br)nc3n2CCC3)[C@H]1c1ccccc1 ZINC000827451581 660496250 /nfs/dbraw/zinc/49/62/50/660496250.db2.gz ITDXYTIRGNWSNE-DZGCQCFKSA-N 1 0 389.297 2.767 20 0 GFADRO Cc1cc([C@H]([NH3+])CC(=O)NCCN2CCc3sccc3C2)cc(Cl)n1 ZINC000827549049 660501952 /nfs/dbraw/zinc/50/19/52/660501952.db2.gz YSEPKWZQCXKVAN-OAHLLOKOSA-N 1 0 378.929 2.669 20 0 GFADRO CCN1CCN(C(=O)CC2CC[NH+](C[C@]3(C)CC3(Cl)Cl)CC2)CC1 ZINC000827778056 660514266 /nfs/dbraw/zinc/51/42/66/660514266.db2.gz MEGFVNMHPXKXCA-KRWDZBQOSA-N 1 0 376.372 2.837 20 0 GFADRO Cc1c(Br)ccc(F)c1C(=O)N1CCC([NH+]2CCN(C)CC2)CC1 ZINC000828517407 660553951 /nfs/dbraw/zinc/55/39/51/660553951.db2.gz JPLAPJCFYHCVIU-UHFFFAOYSA-N 1 0 398.320 2.749 20 0 GFADRO CCn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CCC(C)=C(Br)C1 ZINC000828601860 660559303 /nfs/dbraw/zinc/55/93/03/660559303.db2.gz UPWHMWCEUVBJJA-HIFRSBDPSA-N 1 0 396.333 2.713 20 0 GFADRO C[N@@H+]1CCC[C@H]2[C@H]1CCN2C(=O)c1cc(Br)c2nccnc2c1 ZINC000828958533 660576518 /nfs/dbraw/zinc/57/65/18/660576518.db2.gz GPSKTZPQQPCKMU-CABCVRRESA-N 1 0 375.270 2.701 20 0 GFADRO CCO[C@H]1C[C@]([NH3+])(C(=O)NCCc2ccc(Br)cc2F)C1(C)C ZINC000828982232 660577811 /nfs/dbraw/zinc/57/78/11/660577811.db2.gz DNEPMCKZPSIYSQ-YOEHRIQHSA-N 1 0 387.293 2.779 20 0 GFADRO CN(CCCC[NH+]1CCCCC1)C(=O)c1cc(Br)cn2ncnc12 ZINC000829485076 660594504 /nfs/dbraw/zinc/59/45/04/660594504.db2.gz SYQVKJWFVMDYCL-UHFFFAOYSA-N 1 0 394.317 2.830 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)Nc2nnc(CC(F)(F)F)s2)CC[C@H]1C(F)(F)F ZINC000625869543 652374016 /nfs/dbraw/zinc/37/40/16/652374016.db2.gz UPFJDDPNOYSWGK-NKWVEPMBSA-N 1 0 391.341 2.634 20 0 GFADRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)Nc1nnc(-c2cccc(Br)c2)s1 ZINC000625879179 652374548 /nfs/dbraw/zinc/37/45/48/652374548.db2.gz IPRQBKRUFNNLCJ-GZMMTYOYSA-N 1 0 382.287 2.840 20 0 GFADRO C[C@@H]1CC[C@H](NC(=O)Nc2ccn(-c3ccc(Br)cc3)n2)C[NH2+]1 ZINC000625890514 652375089 /nfs/dbraw/zinc/37/50/89/652375089.db2.gz KZPIBAPHJWUYDK-YPMHNXCESA-N 1 0 378.274 2.897 20 0 GFADRO C[C@](CO)([NH2+]C[C@H](O)c1ccc(F)c(Br)c1)c1cccc(O)c1 ZINC000829921138 660622268 /nfs/dbraw/zinc/62/22/68/660622268.db2.gz GZTUXDKIDMDULX-DLBZAZTESA-N 1 0 384.245 2.825 20 0 GFADRO O=C(CC[N@@H+]1CC[C@@H](CN2CCOC2=O)C1)Nc1ccccc1Br ZINC000830120805 660636481 /nfs/dbraw/zinc/63/64/81/660636481.db2.gz XDJPTMFYIOEGKF-CYBMUJFWSA-N 1 0 396.285 2.552 20 0 GFADRO CCN([C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1)S(=O)(=O)c1c[nH]nc1Cl ZINC000830150686 660638637 /nfs/dbraw/zinc/63/86/37/660638637.db2.gz LSARYEBUCGRPHW-HIFRSBDPSA-N 1 0 382.917 2.909 20 0 GFADRO C[NH2+]CCCn1c(Br)nc(Br)c1Br ZINC000830391882 660652217 /nfs/dbraw/zinc/65/22/17/660652217.db2.gz OOGIKEAOYXKJQG-UHFFFAOYSA-N 1 0 375.890 2.780 20 0 GFADRO O=C(NCC[C@@H]1CC[C@H](C(F)(F)F)O1)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000830452716 660657672 /nfs/dbraw/zinc/65/76/72/660657672.db2.gz SIKMCOXGRLMPEY-QLFBSQMISA-N 1 0 380.476 2.820 20 0 GFADRO Cc1cc(Br)c(Cl)cc1S(=O)(=O)N(C)C1CC[NH2+]CC1 ZINC000883465510 663055476 /nfs/dbraw/zinc/05/54/76/663055476.db2.gz QWMDCGNTPLIYEH-UHFFFAOYSA-N 1 0 381.723 2.783 20 0 GFADRO C[NH+](C)[C@H]1CCC[C@@H](NS(=O)(=O)c2cnc(Cl)c(Br)c2)C1 ZINC000830791682 660680285 /nfs/dbraw/zinc/68/02/85/660680285.db2.gz XHRNGIKAWLDYGA-ZJUUUORDSA-N 1 0 396.738 2.649 20 0 GFADRO COC[C@@H]([NH2+]Cc1ccc(F)cc1I)[C@@H]1CCCOC1 ZINC000886358580 663108930 /nfs/dbraw/zinc/10/89/30/663108930.db2.gz XRQFZOHILTVQDH-IUODEOHRSA-N 1 0 393.240 2.962 20 0 GFADRO COC(=O)[C@H](c1cc(OC)ccc1Br)N(C)CC[NH+]1CCCC1 ZINC000831148446 660699378 /nfs/dbraw/zinc/69/93/78/660699378.db2.gz SBARLEBCCBOQOY-INIZCTEOSA-N 1 0 385.302 2.699 20 0 GFADRO C[N@H+](CCCO)C1CCN(C(=O)c2c(Cl)nc3cc(Cl)ccn32)CC1 ZINC000831271041 660706708 /nfs/dbraw/zinc/70/67/08/660706708.db2.gz BZFQVTJPTVWPSG-UHFFFAOYSA-N 1 0 385.295 2.560 20 0 GFADRO C[N@H+](CCCO)C1CCN(C(=O)c2cc(Cl)nc(C(F)(F)F)c2)CC1 ZINC000831272632 660706823 /nfs/dbraw/zinc/70/68/23/660706823.db2.gz YCIIYBXHFYATBC-UHFFFAOYSA-N 1 0 379.810 2.673 20 0 GFADRO C[N@@H+]1CC[C@@H](C(=O)NCc2ccc(Br)c(Br)c2)C1 ZINC000888676658 663210493 /nfs/dbraw/zinc/21/04/93/663210493.db2.gz FHMXDENDOHEPRR-SNVBAGLBSA-N 1 0 376.092 2.780 20 0 GFADRO CCO[C@@H](CNC(=O)c1cc2sc(N3CCCC3)nc2s1)C[NH+](C)C ZINC000831720308 660722357 /nfs/dbraw/zinc/72/23/57/660722357.db2.gz ZPIUAJCHHRCIRM-LBPRGKRZSA-N 1 0 382.555 2.655 20 0 GFADRO O=C(N[C@H](Cc1ccccn1)c1ccc(Br)cc1)[C@@]1(F)CC[NH2+]C1 ZINC000831880845 660733810 /nfs/dbraw/zinc/73/38/10/660733810.db2.gz KLIWIQKJNPPSHO-SJLPKXTDSA-N 1 0 392.272 2.946 20 0 GFADRO COCC[C@H](NC(=O)c1[nH]nc2c1C[NH2+]CC2)c1ccc(Cl)c(Cl)c1 ZINC000832185477 660761481 /nfs/dbraw/zinc/76/14/81/660761481.db2.gz BJNJLGUICZLJCA-AWEZNQCLSA-N 1 0 383.279 2.870 20 0 GFADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)c1cc(Cl)nc(C(F)(F)F)c1 ZINC000832352263 660774711 /nfs/dbraw/zinc/77/47/11/660774711.db2.gz JVRBUCMEVDANOQ-LLVKDONJSA-N 1 0 378.826 2.510 20 0 GFADRO C[N@@H+](C[C@H](O)c1ccccc1Br)C[C@H](O)COc1ccc(F)cc1 ZINC000832671616 660793843 /nfs/dbraw/zinc/79/38/43/660793843.db2.gz FJMDEODCUDBSJF-KSSFIOAISA-N 1 0 398.272 2.993 20 0 GFADRO COC(=O)c1cccc(C[N@H+](C)C[C@H](O)c2ccccc2Br)n1 ZINC000832680453 660795070 /nfs/dbraw/zinc/79/50/70/660795070.db2.gz RFDHPMFHUFIQSJ-INIZCTEOSA-N 1 0 379.254 2.796 20 0 GFADRO C[C@@H](Sc1nc2ccccc2s1)C(=O)NC[C@H]1CCCC[N@@H+]1CCO ZINC000833559766 660808408 /nfs/dbraw/zinc/80/84/08/660808408.db2.gz WOLRRFFGTVLCGP-ZIAGYGMSSA-N 1 0 379.551 2.740 20 0 GFADRO CCCS(=O)(=O)N1CCC([NH2+][C@@H](C)c2nc(Br)cs2)CC1 ZINC000834507910 660822768 /nfs/dbraw/zinc/82/27/68/660822768.db2.gz GGIUSUSPEFLABJ-JTQLQIEISA-N 1 0 396.376 2.760 20 0 GFADRO CCS(=O)(=O)N1CCC(C[NH2+][C@H](C)c2nc(Br)cs2)CC1 ZINC000834764798 660832465 /nfs/dbraw/zinc/83/24/65/660832465.db2.gz GPWHWQBWKFQMJU-SNVBAGLBSA-N 1 0 396.376 2.618 20 0 GFADRO O=C(NC[C@H](O)Cc1cccc(Cl)c1)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000834807066 660833532 /nfs/dbraw/zinc/83/35/32/660833532.db2.gz UJOOCDSNMFGQAZ-ZWKOTPCHSA-N 1 0 382.957 2.577 20 0 GFADRO Cn1nc(C(=O)OCCCOCCC[NH+]2CCCCC2)cc1Br ZINC000835164948 660843037 /nfs/dbraw/zinc/84/30/37/660843037.db2.gz LDDOQGKKGATUQF-UHFFFAOYSA-N 1 0 388.306 2.622 20 0 GFADRO [NH3+]CC1(CCNS(=O)(=O)Cc2cccc(Cl)c2Br)CC1 ZINC000903521894 663786950 /nfs/dbraw/zinc/78/69/50/663786950.db2.gz GYNCLWNCBIKXLW-UHFFFAOYSA-N 1 0 381.723 2.651 20 0 GFADRO CSc1nc2ccc(NC(=O)NC[C@H]3CCCC[N@@H+]3CCO)cc2s1 ZINC000836208402 660895269 /nfs/dbraw/zinc/89/52/69/660895269.db2.gz HPQONMBWQOIVFX-CYBMUJFWSA-N 1 0 380.539 2.987 20 0 GFADRO CCC[N@@H+]1CC[C@H](CNC(=O)N(C)C[C@H](O)c2ccccc2Br)C1 ZINC000836325453 660899790 /nfs/dbraw/zinc/89/97/90/660899790.db2.gz BTGYPGKJYMYXFL-PBHICJAKSA-N 1 0 398.345 2.856 20 0 GFADRO C[C@@H](CNC(=O)NC[C@@H](O)c1ccccc1Br)C[NH+]1CCCCC1 ZINC000836345320 660900853 /nfs/dbraw/zinc/90/08/53/660900853.db2.gz LBTPPJAYDAQKJU-WMLDXEAASA-N 1 0 398.345 2.904 20 0 GFADRO CC[NH+]1CCN(CC(C)(C)NC(=O)Nc2cnc(Br)c(C)c2)CC1 ZINC000836503886 660911384 /nfs/dbraw/zinc/91/13/84/660911384.db2.gz XUZLHIBTZOXXPZ-UHFFFAOYSA-N 1 0 398.349 2.690 20 0 GFADRO Cc1c(Br)nccc1NC(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1 ZINC000836675281 660925102 /nfs/dbraw/zinc/92/51/02/660925102.db2.gz BDMPLBBEJGTBRN-ZDUSSCGKSA-N 1 0 385.306 2.727 20 0 GFADRO Cc1c(Br)nccc1NC(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000836676338 660925490 /nfs/dbraw/zinc/92/54/90/660925490.db2.gz IFTHLMIZSRRQCC-VXGBXAGGSA-N 1 0 385.306 2.773 20 0 GFADRO Cc1csc([C@@](O)(CC(=O)NC(C)(C)CCC[NH+](C)C)C(F)(F)F)n1 ZINC000836856661 660950260 /nfs/dbraw/zinc/95/02/60/660950260.db2.gz SSNHQQFAQZKYAF-HNNXBMFYSA-N 1 0 381.464 2.828 20 0 GFADRO C[NH+](C)CCCCC(=O)Nc1cc(N2CCOCC2)ccc1Br ZINC000836903616 660953601 /nfs/dbraw/zinc/95/36/01/660953601.db2.gz JBDLGQZTVODDSV-UHFFFAOYSA-N 1 0 384.318 2.956 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)CN1C(=S)N=NC1c1cccs1)c1ccsc1 ZINC000025331059 654548532 /nfs/dbraw/zinc/54/85/32/654548532.db2.gz ODLFHODESXJIOP-GFCCVEGCSA-N 1 0 393.563 2.776 20 0 GFADRO CC[NH+]1CCN(CCCNC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)CC1 ZINC000041443462 654626935 /nfs/dbraw/zinc/62/69/35/654626935.db2.gz PTRGVXDDWADGAM-AWEZNQCLSA-N 1 0 388.339 2.905 20 0 GFADRO COC(=O)CCCNC(=S)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000041745470 654630637 /nfs/dbraw/zinc/63/06/37/654630637.db2.gz HSTDDRNZQGRXBN-MRXNPFEDSA-N 1 0 383.945 2.894 20 0 GFADRO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)CSC(F)(F)F)cc1 ZINC000041751655 654630929 /nfs/dbraw/zinc/63/09/29/654630929.db2.gz FGAQIYUSSIMPEW-UHFFFAOYSA-N 1 0 377.432 2.950 20 0 GFADRO CC[NH+](CC)[C@H](C)CNC(=O)CSc1nncn1-c1cccc(Cl)c1 ZINC000042481485 654640340 /nfs/dbraw/zinc/64/03/40/654640340.db2.gz OFCSHZILYGGXMF-CYBMUJFWSA-N 1 0 381.933 2.859 20 0 GFADRO O=C(CS[C@H]1CCS(=O)(=O)C1)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000042722174 654643184 /nfs/dbraw/zinc/64/31/84/654643184.db2.gz YIUFIMADDQKYJB-KRWDZBQOSA-N 1 0 382.551 2.531 20 0 GFADRO C[C@@H](CNC(=O)NNC(=O)c1ccccc1Br)[N@@H+]1CCC[C@H](C)C1 ZINC000046368318 654679821 /nfs/dbraw/zinc/67/98/21/654679821.db2.gz HKHCMJJPLJLAFV-STQMWFEESA-N 1 0 397.317 2.514 20 0 GFADRO CN1CC[NH+](CCCCNC(=O)C(C)(C)c2ccc(Br)cc2)CC1 ZINC000046787772 654685573 /nfs/dbraw/zinc/68/55/73/654685573.db2.gz TWCQEUKLVGLDNU-UHFFFAOYSA-N 1 0 396.373 2.871 20 0 GFADRO CC1CC[NH+](CCNC(=O)Cc2cc3c(cc2Br)OCCO3)CC1 ZINC000046958106 654688230 /nfs/dbraw/zinc/68/82/30/654688230.db2.gz JTJLMDWLSLDINW-UHFFFAOYSA-N 1 0 397.313 2.611 20 0 GFADRO O=C(c1ccc(I)cc1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000048231465 654704043 /nfs/dbraw/zinc/70/40/43/654704043.db2.gz ZAUWQKCMZFAVLL-OAHLLOKOSA-N 1 0 384.261 2.992 20 0 GFADRO CC[NH+](CC)CCCNC(=O)C(=O)Nc1c(C)cc(Br)cc1C ZINC000048669114 654711154 /nfs/dbraw/zinc/71/11/54/654711154.db2.gz DWPMSIBGLNCKRQ-UHFFFAOYSA-N 1 0 384.318 2.853 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)C(=O)Nc1ccccc1Br)c1cccs1 ZINC000048741842 654712489 /nfs/dbraw/zinc/71/24/89/654712489.db2.gz ZOALLVSRLFARCL-CYBMUJFWSA-N 1 0 396.310 2.868 20 0 GFADRO COc1ccc(Br)cc1CNC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000050121031 654717759 /nfs/dbraw/zinc/71/77/59/654717759.db2.gz COVDRFIQVUQWLD-HUUCEWRRSA-N 1 0 382.302 2.884 20 0 GFADRO CCS(=O)(=O)NCCC[NH2+]Cc1c(C)nn(-c2ccc(Cl)cc2)c1C ZINC000051189060 654722706 /nfs/dbraw/zinc/72/27/06/654722706.db2.gz UIUURNPXNLAJFD-UHFFFAOYSA-N 1 0 384.933 2.562 20 0 GFADRO CSCC[C@H]([NH3+])C(=O)Nc1nccn1Cc1ccc(Br)cc1 ZINC000121987865 654727027 /nfs/dbraw/zinc/72/70/27/654727027.db2.gz ZSJMVMLDHLEIPY-ZDUSSCGKSA-N 1 0 383.315 2.713 20 0 GFADRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1ccccc1Br ZINC000122295708 654732886 /nfs/dbraw/zinc/73/28/86/654732886.db2.gz LLHWMAYNUMTMNG-SJORKVTESA-N 1 0 381.314 2.947 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)c1cc(=O)[nH]c2c(Br)cccc12 ZINC000122316479 654733612 /nfs/dbraw/zinc/73/36/12/654733612.db2.gz LCWVZZGUGFBJNO-IINYFYTJSA-N 1 0 378.270 2.633 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)C(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000122424021 654736317 /nfs/dbraw/zinc/73/63/17/654736317.db2.gz FMEFATNRHBUDRI-LBPRGKRZSA-N 1 0 382.302 2.544 20 0 GFADRO O=C(CC[NH+]1CCC(N2CCNC2=O)CC1)Nc1c(Cl)cccc1Cl ZINC000053283671 654743481 /nfs/dbraw/zinc/74/34/81/654743481.db2.gz LTVCNHREZDEPBB-UHFFFAOYSA-N 1 0 385.295 2.812 20 0 GFADRO CC(C)CC[N@H+](C)CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000053361050 654745008 /nfs/dbraw/zinc/74/50/08/654745008.db2.gz RJUWCVWUGCHCGI-UHFFFAOYSA-N 1 0 375.922 2.507 20 0 GFADRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)c2c(Br)nc3n2CCCC3)C1 ZINC000837464462 661000020 /nfs/dbraw/zinc/00/00/20/661000020.db2.gz CNIWFYGPIWHGTQ-ZDUSSCGKSA-N 1 0 383.334 2.690 20 0 GFADRO Cc1ccc(NC(=O)C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)c(Br)c1 ZINC000123244859 654754282 /nfs/dbraw/zinc/75/42/82/654754282.db2.gz FOKCOPLGCCSPMI-CQSZACIVSA-N 1 0 394.313 2.640 20 0 GFADRO COc1cc(Br)c(S(=O)(=O)NC[C@@H]2CCCC[NH2+]2)cc1Cl ZINC000123437040 654755892 /nfs/dbraw/zinc/75/58/92/654755892.db2.gz QKZTUMUGVKCXRK-VIFPVBQESA-N 1 0 397.722 2.532 20 0 GFADRO CCN1CC[C@H]([NH2+][C@@H](C)CS(=O)(=O)CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000123692212 654760865 /nfs/dbraw/zinc/76/08/65/654760865.db2.gz ARAIQQCKRRPFJZ-KCTSRDHCSA-N 1 0 378.460 2.652 20 0 GFADRO Cc1cc(Br)cc2cc(C(=O)N3CCN(CC[NH+](C)C)CC3)oc21 ZINC000123722197 654761649 /nfs/dbraw/zinc/76/16/49/654761649.db2.gz ZYWCIYZQGMOMJD-UHFFFAOYSA-N 1 0 394.313 2.823 20 0 GFADRO S=c1oc(-c2cccs2)nn1CN1CCC(C[NH+]2CCOCC2)CC1 ZINC000054518678 654761852 /nfs/dbraw/zinc/76/18/52/654761852.db2.gz BGXHIMAZGKBQJD-UHFFFAOYSA-N 1 0 380.539 2.936 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1nnn(-c2cccc(Br)c2)c1C ZINC000054915401 654764873 /nfs/dbraw/zinc/76/48/73/654764873.db2.gz MABMMMHAQHHKCT-OAHLLOKOSA-N 1 0 392.301 2.552 20 0 GFADRO CN(Cc1csc(C(C)(C)O)n1)C(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000837515299 661002773 /nfs/dbraw/zinc/00/27/73/661002773.db2.gz YAPXSVXPCBLWKF-AWEZNQCLSA-N 1 0 382.555 2.876 20 0 GFADRO C[NH+](C)CCCNC(=S)NC[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000054990560 654766977 /nfs/dbraw/zinc/76/69/77/654766977.db2.gz XLNJRTGMQZYOQT-AWEZNQCLSA-N 1 0 399.402 2.691 20 0 GFADRO O=C([C@H]1CCC[N@@H+](CCOc2c(Cl)cccc2Cl)C1)N1CCOCC1 ZINC000054994014 654767117 /nfs/dbraw/zinc/76/71/17/654767117.db2.gz FNLYYDMVKPWVPG-AWEZNQCLSA-N 1 0 387.307 2.943 20 0 GFADRO C[C@@H](CNC(=O)c1ccc(-n2cc(Br)cn2)cc1)[N@H+](C)C1CC1 ZINC000057710184 654808823 /nfs/dbraw/zinc/80/88/23/654808823.db2.gz YDHVXHYCXVDGQG-LBPRGKRZSA-N 1 0 377.286 2.847 20 0 GFADRO C[C@@H]([NH2+]C1CCN(S(=O)(=O)C(F)(F)F)CC1)c1ncc(C(C)(C)C)o1 ZINC000126214188 654810318 /nfs/dbraw/zinc/81/03/18/654810318.db2.gz NROXDURLRFRKTK-SNVBAGLBSA-N 1 0 383.436 2.937 20 0 GFADRO C[C@@H]1C[C@@H](C)CN(S(=O)(=O)NCC2CC[NH+](Cc3cccs3)CC2)C1 ZINC000057928588 654812546 /nfs/dbraw/zinc/81/25/46/654812546.db2.gz LKLPCZPDIXYWLJ-HZPDHXFCSA-N 1 0 385.599 2.772 20 0 GFADRO CCC[NH+]1CCN(c2ccc(NC(=O)[C@@]3(O)CCSC3)cc2Cl)CC1 ZINC000126628294 654816790 /nfs/dbraw/zinc/81/67/90/654816790.db2.gz ZRDDSFQRJKTVCN-GOSISDBHSA-N 1 0 383.945 2.679 20 0 GFADRO C[C@@H](CCS(C)(=O)=O)[NH2+][C@@H](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000127201252 654826204 /nfs/dbraw/zinc/82/62/04/654826204.db2.gz WKCTZRXWWMCTKV-RYUDHWBXSA-N 1 0 380.432 2.835 20 0 GFADRO O[C@@H](COc1ccc(Br)cc1)C[NH+]1CCC(O)(C(F)(F)F)CC1 ZINC000128239861 654842827 /nfs/dbraw/zinc/84/28/27/654842827.db2.gz SZPDELTWUAVDOY-GFCCVEGCSA-N 1 0 398.219 2.578 20 0 GFADRO C[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2cccc(Cl)c2SCC(F)F)C1 ZINC000128245903 654843246 /nfs/dbraw/zinc/84/32/46/654843246.db2.gz FHQOAERJMIORFF-SNVBAGLBSA-N 1 0 391.871 2.704 20 0 GFADRO C[C@@H](CC[NH+](C)C)NC(=O)NCCNc1ncc(C(F)(F)F)cc1Cl ZINC000062505782 654845940 /nfs/dbraw/zinc/84/59/40/654845940.db2.gz WYJAASHAXXHHSS-JTQLQIEISA-N 1 0 381.830 2.805 20 0 GFADRO CN(CC1CC[NH+](C)CC1)S(=O)(=O)c1ccc(F)cc1Br ZINC000063125595 654849175 /nfs/dbraw/zinc/84/91/75/654849175.db2.gz KBQPSIJCCVHWJK-UHFFFAOYSA-N 1 0 379.295 2.551 20 0 GFADRO NS(=O)(=O)c1ccc(CC[NH2+]Cc2ccc(F)c(Br)c2)cc1 ZINC000063201819 654850605 /nfs/dbraw/zinc/85/06/05/654850605.db2.gz LSQKYSSPZZVPRC-UHFFFAOYSA-N 1 0 387.274 2.568 20 0 GFADRO Cc1c(C(=O)NC[C@H](C)[NH+]2CCCC2)nnn1-c1cccc(Br)c1 ZINC000063732610 654856752 /nfs/dbraw/zinc/85/67/52/654856752.db2.gz FCUCCNDTRTVNJF-LBPRGKRZSA-N 1 0 392.301 2.552 20 0 GFADRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3ccc(I)cc3)CC[C@@H]21 ZINC000129121194 654857210 /nfs/dbraw/zinc/85/72/10/654857210.db2.gz XIKPMHSXMZDPDG-ZFWWWQNUSA-N 1 0 384.261 2.848 20 0 GFADRO CC[NH+](CC)CC(=O)NCC1(c2cccc(Br)c2)CCOCC1 ZINC000063781201 654857865 /nfs/dbraw/zinc/85/78/65/654857865.db2.gz KERKXTCIARARMS-UHFFFAOYSA-N 1 0 383.330 2.955 20 0 GFADRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)S(=O)(=O)c1ccc(OCC(F)(F)F)cc1 ZINC000266138730 654859062 /nfs/dbraw/zinc/85/90/62/654859062.db2.gz CLBLZISNYDPYQG-WFASDCNBSA-N 1 0 380.432 2.588 20 0 GFADRO C[C@@H]([NH2+]C1CCN(S(=O)(=O)C2CCOCC2)CC1)c1cccc(Cl)c1 ZINC000129618481 654868479 /nfs/dbraw/zinc/86/84/79/654868479.db2.gz WZLZHKTYGGVYLU-CQSZACIVSA-N 1 0 386.945 2.964 20 0 GFADRO CC[NH+](CC)CCC[C@@H](C)NC(=O)CN1C(=S)N=NC1c1cccs1 ZINC000064441512 654868928 /nfs/dbraw/zinc/86/89/28/654868928.db2.gz KNMGXRYUNFSZPJ-CYBMUJFWSA-N 1 0 381.571 2.922 20 0 GFADRO O[C@H](COCc1ccccc1Cl)C[N@@H+]1CCCN(c2nccs2)CC1 ZINC000064518780 654871171 /nfs/dbraw/zinc/87/11/71/654871171.db2.gz ZUKUJXNQMIRRIJ-INIZCTEOSA-N 1 0 381.929 2.886 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)NC1CCN(CC(F)(F)F)CC1)c1ccsc1 ZINC000065509431 654880355 /nfs/dbraw/zinc/88/03/55/654880355.db2.gz HNUHTLPLERSNNE-AWEZNQCLSA-N 1 0 378.464 2.677 20 0 GFADRO Cc1[nH]nc(C(=O)Nc2ccc(OCC[NH+](C)C)c(C)c2)c1Br ZINC000838177219 661031873 /nfs/dbraw/zinc/03/18/73/661031873.db2.gz JZEHAEOGGLDRHX-UHFFFAOYSA-N 1 0 381.274 2.982 20 0 GFADRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)CNC(=O)c1ccc(Cl)c(Cl)c1 ZINC000065674526 654885060 /nfs/dbraw/zinc/88/50/60/654885060.db2.gz FMIJFWJFVYJUCQ-OLZOCXBDSA-N 1 0 386.323 2.960 20 0 GFADRO Cc1c2cc(Br)ccc2oc1C(=O)NCC1(O)CC[NH+](C)CC1 ZINC000266692787 654890013 /nfs/dbraw/zinc/89/00/13/654890013.db2.gz CSQCMRHAGGSPGC-UHFFFAOYSA-N 1 0 381.270 2.690 20 0 GFADRO COc1ccc(Br)cc1C[NH2+]CCC(=O)NCc1cccnc1 ZINC000065935702 654890637 /nfs/dbraw/zinc/89/06/37/654890637.db2.gz CMWRMTUQPSLTSM-UHFFFAOYSA-N 1 0 378.270 2.649 20 0 GFADRO Cc1ccc(C(=O)N(CC[NH+](C)C)Cc2ccc(Br)cc2)c(=O)[nH]1 ZINC000065931838 654890723 /nfs/dbraw/zinc/89/07/23/654890723.db2.gz HTDAWXGTUAYMEL-UHFFFAOYSA-N 1 0 392.297 2.650 20 0 GFADRO CN(C1CC[NH+](C2CCOCC2)CC1)S(=O)(=O)c1ccc(F)cc1Cl ZINC000066103498 654894493 /nfs/dbraw/zinc/89/44/93/654894493.db2.gz PEJKSGIEVOKPOW-UHFFFAOYSA-N 1 0 390.908 2.743 20 0 GFADRO CC[C@@H](C)[N@H+](C)CCNC(=O)c1ccc(F)cc1I ZINC000066125453 654895710 /nfs/dbraw/zinc/89/57/10/654895710.db2.gz WCMCUDZCAQRHOU-SNVBAGLBSA-N 1 0 378.229 2.890 20 0 GFADRO O=C(NCCOc1ccc(Br)cc1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000066191146 654896377 /nfs/dbraw/zinc/89/63/77/654896377.db2.gz AKQXOSBFCJGLSY-OAHLLOKOSA-N 1 0 382.302 2.708 20 0 GFADRO O=c1ccn(C[N@@H+]2CCS[C@@H]3COCC[C@@H]32)c2c(Br)cccc12 ZINC000131165241 654897426 /nfs/dbraw/zinc/89/74/26/654897426.db2.gz SLACIAIOOVDYRD-GOEBONIOSA-N 1 0 395.322 2.928 20 0 GFADRO O[C@@H](C[NH2+][C@@H]1CCCSC1)COc1ccc(I)cc1 ZINC000131363771 654903695 /nfs/dbraw/zinc/90/36/95/654903695.db2.gz WUEGCCLAJYCJSR-OLZOCXBDSA-N 1 0 393.290 2.516 20 0 GFADRO C[NH+](C)CC(C)(C)CNC(=O)[C@@H]1CCN(c2ccccc2Br)C1=O ZINC000131612688 654911308 /nfs/dbraw/zinc/91/13/08/654911308.db2.gz CJEZRMFWTIUAMV-ZDUSSCGKSA-N 1 0 396.329 2.506 20 0 GFADRO CC(C)n1cc(Br)cc1C(=O)NCCCC[N@@H+]1CCC[C@@H]1CO ZINC000131631348 654911891 /nfs/dbraw/zinc/91/18/91/654911891.db2.gz VUIKMGPOEVFOBR-OAHLLOKOSA-N 1 0 386.334 2.798 20 0 GFADRO [NH3+]C1CCC(NC(=O)[C@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000131700345 654914440 /nfs/dbraw/zinc/91/44/40/654914440.db2.gz JNWFSYHWFJCFNY-SEEARECTSA-N 1 0 384.307 2.984 20 0 GFADRO NC(=O)[C@@H](OC(=O)C1C[NH+](C2CCCCC2)C1)c1cccc(Br)c1 ZINC000838462233 661046509 /nfs/dbraw/zinc/04/65/09/661046509.db2.gz CWKNLCUVYZCXGU-INIZCTEOSA-N 1 0 395.297 2.783 20 0 GFADRO Cc1ccc(Br)c(C(=O)N2CCC(C[NH+]3CCOCC3)CC2)c1 ZINC000131921457 654921821 /nfs/dbraw/zinc/92/18/21/654921821.db2.gz KXFKYGYMHAVNFU-UHFFFAOYSA-N 1 0 381.314 2.942 20 0 GFADRO CC[NH+]1CCN(CCNC(=O)c2csc(-c3ccccc3Cl)n2)CC1 ZINC000067190914 654933204 /nfs/dbraw/zinc/93/32/04/654933204.db2.gz CAVPAGWQJOFQHQ-UHFFFAOYSA-N 1 0 378.929 2.831 20 0 GFADRO O=C(NC1CC[NH+](Cc2ccccn2)CC1)c1ccncc1Br ZINC000132450885 654938185 /nfs/dbraw/zinc/93/81/85/654938185.db2.gz IMWNCRCSNXCUQY-UHFFFAOYSA-N 1 0 375.270 2.634 20 0 GFADRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)N2CCN(Cc3ccc(Cl)s3)CC2)C1 ZINC000067685931 654943045 /nfs/dbraw/zinc/94/30/45/654943045.db2.gz OYIHLERTZAPWQT-HNNXBMFYSA-N 1 0 384.977 2.959 20 0 GFADRO C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000068080355 654953718 /nfs/dbraw/zinc/95/37/18/654953718.db2.gz YCWOGEXPRZKSIP-CQSZACIVSA-N 1 0 388.339 2.905 20 0 GFADRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1cc(F)ccc1I ZINC000268160815 654960990 /nfs/dbraw/zinc/96/09/90/654960990.db2.gz CTKUDLZCHISCHO-OTYXRUKQSA-N 1 0 388.224 2.643 20 0 GFADRO CCCC[N@H+](C)CCNC(=O)N(C)C[C@@H](O)c1ccccc1Br ZINC000838465650 661046841 /nfs/dbraw/zinc/04/68/41/661046841.db2.gz CLXNMECOCHMAMS-MRXNPFEDSA-N 1 0 386.334 2.856 20 0 GFADRO C[NH+](C)Cc1ccsc1C(=O)N[C@@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000268195356 654962660 /nfs/dbraw/zinc/96/26/60/654962660.db2.gz XWCNEAKKVHRYOT-OAHLLOKOSA-N 1 0 377.897 2.998 20 0 GFADRO C[C@@H](C(=O)NCCOc1ccc(Br)cc1C(F)(F)F)[NH+](C)C ZINC000133542478 654966570 /nfs/dbraw/zinc/96/65/70/654966570.db2.gz GLXOEVZHYITKRT-VIFPVBQESA-N 1 0 383.208 2.913 20 0 GFADRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)c2cc(Cl)c(Cl)n2C)CC1 ZINC000133575302 654967872 /nfs/dbraw/zinc/96/78/72/654967872.db2.gz DPKIQRSWIKFJQO-KBPBESRZSA-N 1 0 387.355 2.963 20 0 GFADRO CC[C@@H](Cc1ccccc1Br)NC(=O)NCC1(O)CC[NH+](C)CC1 ZINC000268354617 654968252 /nfs/dbraw/zinc/96/82/52/654968252.db2.gz AULAYQHEDIPXGE-HNNXBMFYSA-N 1 0 398.345 2.526 20 0 GFADRO O=C(CN1CCC[C@@H]1C[NH+]1CCCCC1)Nc1ccc(Br)cn1 ZINC000069034021 654971753 /nfs/dbraw/zinc/97/17/53/654971753.db2.gz BBZOAQUGVIHZDJ-OAHLLOKOSA-N 1 0 381.318 2.733 20 0 GFADRO CC[C@@](C)([NH2+]CC(=O)N1CCc2sccc2[C@@H]1c1cccs1)C(N)=O ZINC000133732092 654972402 /nfs/dbraw/zinc/97/24/02/654972402.db2.gz MXHDLJWBFBEEIP-SJLPKXTDSA-N 1 0 377.535 2.527 20 0 GFADRO CN(C[C@H](O)c1ccccc1Br)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000838506248 661047844 /nfs/dbraw/zinc/04/78/44/661047844.db2.gz KCLJHPZJWVFJNG-CPUCHLNUSA-N 1 0 398.345 2.997 20 0 GFADRO C=C(Br)CNC(=O)C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000069279305 654978733 /nfs/dbraw/zinc/97/87/33/654978733.db2.gz MBEKPNBSHCCNHD-UHFFFAOYSA-N 1 0 394.313 2.678 20 0 GFADRO CC[N@@H+]1CC[C@@H](CNC(=O)c2cc(I)ccc2F)C1 ZINC000268591785 654979314 /nfs/dbraw/zinc/97/93/14/654979314.db2.gz URZYYCUVRUXCLG-JTQLQIEISA-N 1 0 376.213 2.502 20 0 GFADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](C)Oc1ccc(C)cc1Br ZINC000069503646 654982237 /nfs/dbraw/zinc/98/22/37/654982237.db2.gz GPPVSERPKQDBIV-LSDHHAIUSA-N 1 0 399.329 2.752 20 0 GFADRO C[N@@H+]1CCC[C@@H]1C(=O)Nc1ccc(CCn2cc(Br)cn2)cc1 ZINC000134120792 654983670 /nfs/dbraw/zinc/98/36/70/654983670.db2.gz QZUDHTOGSSPLDD-MRXNPFEDSA-N 1 0 377.286 2.921 20 0 GFADRO CC(C)c1nnc(NC(=O)CN2CC[NH+](CCc3cccs3)CC2)s1 ZINC000268894261 654990358 /nfs/dbraw/zinc/99/03/58/654990358.db2.gz JPRZXAVIHITQMO-UHFFFAOYSA-N 1 0 379.555 2.522 20 0 GFADRO Cc1csc([C@](O)(CC(=O)NC2CC[NH+](C(C)C)CC2)C(F)(F)F)n1 ZINC000069980287 654991346 /nfs/dbraw/zinc/99/13/46/654991346.db2.gz OTRWZWKGWRLDGZ-OAHLLOKOSA-N 1 0 379.448 2.581 20 0 GFADRO Cc1c([C@H](C)[NH2+]C[C@@]2(O)CCSC2)nnn1-c1cccc(Br)c1 ZINC000268926206 654991509 /nfs/dbraw/zinc/99/15/09/654991509.db2.gz LCEXTMXUHQBZEI-ZBEGNZNMSA-N 1 0 397.342 2.857 20 0 GFADRO NC(=O)[C@H]1CCC[N@H+](CCCN[C@H]2CCc3c2c(Br)ccc3F)C1 ZINC000134383333 654992998 /nfs/dbraw/zinc/99/29/98/654992998.db2.gz QRBNZDKQZZRHHV-LRDDRELGSA-N 1 0 398.320 2.753 20 0 GFADRO CC[C@@]1(C(=O)NCCC(=O)Nc2cc(Br)ccc2C)CCC[NH2+]1 ZINC000134462049 654993620 /nfs/dbraw/zinc/99/36/20/654993620.db2.gz VKVOVIMGXXDLMU-KRWDZBQOSA-N 1 0 382.302 2.735 20 0 GFADRO C[C@H]([NH2+]C1CCN(S(=O)(=O)C(F)(F)F)CC1)c1ccc2c(c1)COC2 ZINC000269001990 654994762 /nfs/dbraw/zinc/99/47/62/654994762.db2.gz JUVJXDHCGDRMBC-NSHDSACASA-N 1 0 378.416 2.681 20 0 GFADRO O=C(NCCC[NH+]1CCCC1)C(=O)Nc1ccccc1SC(F)(F)F ZINC000070801682 654995092 /nfs/dbraw/zinc/99/50/92/654995092.db2.gz STDYHZIXZGOVQR-UHFFFAOYSA-N 1 0 375.416 2.839 20 0 GFADRO C[NH2+][C@H]1CCN(C(=O)Cc2csc(-c3cccc(Br)c3)n2)C1 ZINC000269140169 654999526 /nfs/dbraw/zinc/99/95/26/654999526.db2.gz VCHUSNGPEDALFT-ZDUSSCGKSA-N 1 0 380.311 2.935 20 0 GFADRO COCCCN(CCOc1c(Cl)cccc1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000071119913 654999535 /nfs/dbraw/zinc/99/95/35/654999535.db2.gz CLQPEPHXULKUFE-ZDUSSCGKSA-N 1 0 396.336 2.898 20 0 GFADRO C[N@@H+]1CC[C@H](CNC(=O)[C@@H](c2ccc(Br)cc2)N2CCCC2)C1 ZINC000134694585 655001286 /nfs/dbraw/zinc/00/12/86/655001286.db2.gz GJKITCFWCGSSRH-RHSMWYFYSA-N 1 0 380.330 2.654 20 0 GFADRO COc1cc(F)c(S(=O)(=O)NCCC[NH+](C(C)C)C(C)C)cc1OC ZINC000072717181 655003950 /nfs/dbraw/zinc/00/39/50/655003950.db2.gz SQHDCDBVVKUWRH-UHFFFAOYSA-N 1 0 376.494 2.630 20 0 GFADRO CC[C@@H](CO)[NH+]1CCN(C(=O)Nc2c(C)cc(C)cc2Br)CC1 ZINC000269279426 655003928 /nfs/dbraw/zinc/00/39/28/655003928.db2.gz PJLBICIUFUEKPK-AWEZNQCLSA-N 1 0 384.318 2.986 20 0 GFADRO CN1CC[NH+](CC2CCN(C(=O)NCC[C@]3(C)CC3(Cl)Cl)CC2)CC1 ZINC000838680720 661053871 /nfs/dbraw/zinc/05/38/71/661053871.db2.gz KFCYMKCIPDSURG-QGZVFWFLSA-N 1 0 391.387 2.629 20 0 GFADRO CC[N@H+](C)CCNC(=O)N[C@H](C)c1nc(-c2ccc(Br)cc2)no1 ZINC000135017833 655007766 /nfs/dbraw/zinc/00/77/66/655007766.db2.gz XLWKNWQGJPVTMO-LLVKDONJSA-N 1 0 396.289 2.811 20 0 GFADRO Cc1cc(S(=O)(=O)[N-]c2ccc(N3CC[C@@H]([NH+](C)C)C3)cn2)c(C)s1 ZINC000269422576 655009026 /nfs/dbraw/zinc/00/90/26/655009026.db2.gz JEDJRZNWJKZWND-OAHLLOKOSA-N 1 0 380.539 2.701 20 0 GFADRO C[NH+](C)Cc1ccc(CN[C@H](C(N)=O)c2ccc(Br)cc2)cc1F ZINC000135299182 655013385 /nfs/dbraw/zinc/01/33/85/655013385.db2.gz RHQJPYQKSJWYDQ-KRWDZBQOSA-N 1 0 394.288 2.966 20 0 GFADRO C[NH+](C)CCOc1ccc(CNC(=O)c2ccnc(Br)c2)cc1 ZINC000135317315 655013621 /nfs/dbraw/zinc/01/36/21/655013621.db2.gz BBQQPHPTVBKQAH-UHFFFAOYSA-N 1 0 378.270 2.715 20 0 GFADRO COC(=O)[C@@H](O)C1CC[NH+](Cc2cc(Br)cc3cccnc32)CC1 ZINC000135351563 655014384 /nfs/dbraw/zinc/01/43/84/655014384.db2.gz WTJALRLLJHTCND-KRWDZBQOSA-N 1 0 393.281 2.743 20 0 GFADRO C[NH+]1CCN(c2ccc(CNC(=O)CCc3cc(Cl)cs3)cn2)CC1 ZINC000135359582 655014644 /nfs/dbraw/zinc/01/46/44/655014644.db2.gz GMGSATCHAOWYNI-UHFFFAOYSA-N 1 0 378.929 2.797 20 0 GFADRO O=[N+]([O-])c1cc(CN2CCC[C@H](C[NH+]3CCOCC3)C2)ccc1Br ZINC000093017310 655016723 /nfs/dbraw/zinc/01/67/23/655016723.db2.gz VUBGBLSTHYSLKA-OAHLLOKOSA-N 1 0 398.301 2.902 20 0 GFADRO COc1cc(Br)cc(C[N@@H+]2CCC[C@@H](N3CCCC3=O)C2)c1O ZINC000093277504 655017918 /nfs/dbraw/zinc/01/79/18/655017918.db2.gz XYPVTAIZHRDYBF-CQSZACIVSA-N 1 0 383.286 2.750 20 0 GFADRO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)c1cccnc1Br ZINC000135617896 655022789 /nfs/dbraw/zinc/02/27/89/655022789.db2.gz YUGDAVHOUFPUHG-BBRMVZONSA-N 1 0 389.297 2.880 20 0 GFADRO CC[NH+](CC)CCC[C@H](C)NC(=O)c1cnn2cc(Br)cnc12 ZINC000094034044 655026314 /nfs/dbraw/zinc/02/63/14/655026314.db2.gz FZTHQAIUZSWBFT-LBPRGKRZSA-N 1 0 382.306 2.732 20 0 GFADRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2cnn3cc(Br)cnc23)C1 ZINC000094038661 655026422 /nfs/dbraw/zinc/02/64/22/655026422.db2.gz MTNXVRLIFNZJDZ-GFCCVEGCSA-N 1 0 394.317 2.732 20 0 GFADRO C[NH+](C)CCc1ccc(NC(=O)c2cnn3cc(Br)cnc23)cc1 ZINC000094103353 655027326 /nfs/dbraw/zinc/02/73/26/655027326.db2.gz CXNYAQNJUGHXIH-UHFFFAOYSA-N 1 0 388.269 2.848 20 0 GFADRO OC1CC[NH+](CCCNCc2cn(-c3cccc(Cl)c3Cl)nn2)CC1 ZINC000269957539 655029002 /nfs/dbraw/zinc/02/90/02/655029002.db2.gz IHVIJUCINGJHDL-UHFFFAOYSA-N 1 0 384.311 2.511 20 0 GFADRO C[NH+](C)CCN1CCC(NC(=O)Nc2cc(F)ccc2Br)CC1 ZINC000136422876 655031206 /nfs/dbraw/zinc/03/12/06/655031206.db2.gz XUOWQQOLYZFIQZ-UHFFFAOYSA-N 1 0 387.297 2.736 20 0 GFADRO CSCC[C@@H](CO)NC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000136575953 655033540 /nfs/dbraw/zinc/03/35/40/655033540.db2.gz SRSWNOIWSDOOMZ-KRWDZBQOSA-N 1 0 385.961 2.718 20 0 GFADRO O=C(NCC1(C[NH+]2CCOCC2)CCCCC1)c1cccnc1Br ZINC000136746183 655035095 /nfs/dbraw/zinc/03/50/95/655035095.db2.gz SAJMQXCCJBYYJG-UHFFFAOYSA-N 1 0 396.329 2.857 20 0 GFADRO Cc1cccc(C(=O)N2CCN(CC[NH+]3CCCC3)CC2)c1Br ZINC000270167033 655035922 /nfs/dbraw/zinc/03/59/22/655035922.db2.gz VNJLRTQYDQCXAM-UHFFFAOYSA-N 1 0 380.330 2.611 20 0 GFADRO CC[NH+](CC)CCCCNC(=O)c1cncc(I)c1 ZINC000270180418 655036391 /nfs/dbraw/zinc/03/63/91/655036391.db2.gz JGCGXSVTIYSLOQ-UHFFFAOYSA-N 1 0 375.254 2.538 20 0 GFADRO O=C(Cc1cc(F)ccc1Br)N1CCN(c2cc[nH+]cc2)CC1 ZINC000136909930 655036803 /nfs/dbraw/zinc/03/68/03/655036803.db2.gz YIAGOQKZIIJLSL-UHFFFAOYSA-N 1 0 378.245 2.875 20 0 GFADRO COC(=O)CN1CCC([NH2+]CCCc2ccc(Br)cc2OC)CC1 ZINC000136910112 655036831 /nfs/dbraw/zinc/03/68/31/655036831.db2.gz BTKKCFQIFTUCQG-UHFFFAOYSA-N 1 0 399.329 2.617 20 0 GFADRO C[C@@H]1C[C@@H](NS(=O)(=O)c2ccc(Br)cc2Cl)CC[N@@H+]1C ZINC000097602709 655037016 /nfs/dbraw/zinc/03/70/16/655037016.db2.gz SABWAKPPJVVHGJ-KOLCDFICSA-N 1 0 381.723 2.864 20 0 GFADRO CC[NH+](CC)[C@@H]1CCN(C(=O)c2csc(I)c2)C1 ZINC000097711960 655037669 /nfs/dbraw/zinc/03/76/69/655037669.db2.gz CFDBYIBPCDZGNK-LLVKDONJSA-N 1 0 378.279 2.909 20 0 GFADRO C[C@@H](C(=O)Nc1ccc(=O)n(CC[NH+](C)C)c1)c1ccc(Br)s1 ZINC000270250971 655038846 /nfs/dbraw/zinc/03/88/46/655038846.db2.gz QLZOARRECLZSID-LLVKDONJSA-N 1 0 398.326 2.976 20 0 GFADRO O=C(CC[NH+]1CCN(Cc2ccc(Br)cc2)CC1)N1CCCC1 ZINC000838871615 661060753 /nfs/dbraw/zinc/06/07/53/661060753.db2.gz BYOYERGJFQTWEX-UHFFFAOYSA-N 1 0 380.330 2.579 20 0 GFADRO C[NH+]1CCC([C@H]2CCN(C(=O)c3ccc(Cl)c(S(C)(=O)=O)c3)C2)CC1 ZINC000270297631 655040303 /nfs/dbraw/zinc/04/03/03/655040303.db2.gz XXYCHGAPNZYIBN-HNNXBMFYSA-N 1 0 384.929 2.547 20 0 GFADRO Cc1[nH]c(=S)sc1CC(=O)NC1CC[NH+](CCc2ccncc2)CC1 ZINC000101521112 655042373 /nfs/dbraw/zinc/04/23/73/655042373.db2.gz SAMIZBRDBDXJIE-UHFFFAOYSA-N 1 0 376.551 2.875 20 0 GFADRO Cc1cc(CCC(=O)N2CCC([N@H+](C)CCCO)CC2)ccc1Br ZINC000270395512 655043129 /nfs/dbraw/zinc/04/31/29/655043129.db2.gz UEYAYTRIAUZRCI-UHFFFAOYSA-N 1 0 397.357 2.995 20 0 GFADRO CC(C)[NH+]1CCN(C2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)CC1 ZINC000270451986 655045277 /nfs/dbraw/zinc/04/52/77/655045277.db2.gz CKJRSMMVJOLXHW-UHFFFAOYSA-N 1 0 385.961 2.519 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)C1(c2ccc(Br)cc2)CCOCC1)C1CC1 ZINC000101692038 655046158 /nfs/dbraw/zinc/04/61/58/655046158.db2.gz REHDVVBZYIPRHN-KRWDZBQOSA-N 1 0 395.341 2.954 20 0 GFADRO O=c1ccn(C[N@@H+]2CCO[C@@H]([C@@H]3CCCO3)C2)c2c(Br)cccc12 ZINC000151112547 655048081 /nfs/dbraw/zinc/04/80/81/655048081.db2.gz KLOLSLANQIXTNE-DLBZAZTESA-N 1 0 393.281 2.601 20 0 GFADRO O=c1ccn(C[N@@H+]2CCO[C@H]([C@@H]3CCCO3)C2)c2c(Br)cccc12 ZINC000151112487 655048229 /nfs/dbraw/zinc/04/82/29/655048229.db2.gz KLOLSLANQIXTNE-IRXDYDNUSA-N 1 0 393.281 2.601 20 0 GFADRO CCn1c(SCC(=O)NCC[N@H+](CC)C(C)C)nnc1-c1cccs1 ZINC000102480749 655055551 /nfs/dbraw/zinc/05/55/51/655055551.db2.gz LABVLJSGIULGCK-UHFFFAOYSA-N 1 0 381.571 2.965 20 0 GFADRO COc1ccc(NC(=[NH2+])NC[C@@H](O)COc2ccccc2Br)cc1 ZINC000153202641 655065253 /nfs/dbraw/zinc/06/52/53/655065253.db2.gz YSWPHMUVEMDZDZ-CYBMUJFWSA-N 1 0 394.269 2.624 20 0 GFADRO CN(CC[NH+]1CCCC1)C(=O)c1cnn(-c2ccc(Br)cc2)c1 ZINC000103117148 655067164 /nfs/dbraw/zinc/06/71/64/655067164.db2.gz NGUJUATVOWYVSW-UHFFFAOYSA-N 1 0 377.286 2.803 20 0 GFADRO CN(CC[NH+]1CCCC1)C(=O)CCNC(=O)Nc1ccc(Br)cc1 ZINC000103117251 655067203 /nfs/dbraw/zinc/06/72/03/655067203.db2.gz BSNGTDCQXWJMJB-UHFFFAOYSA-N 1 0 397.317 2.515 20 0 GFADRO CS[C@@H]1CN(C(=O)c2ccc(NC(=O)N(C)C)cc2Cl)C[C@@H]1[NH+](C)C ZINC000271148061 655067884 /nfs/dbraw/zinc/06/78/84/655067884.db2.gz PXQZONMMAJLEIT-LSDHHAIUSA-N 1 0 384.933 2.551 20 0 GFADRO COCC[N@H+](C)CCNC(=O)NC1(c2cccc(Br)c2)CCC1 ZINC000103314307 655071046 /nfs/dbraw/zinc/07/10/46/655071046.db2.gz ISROLYNHIJTDDO-UHFFFAOYSA-N 1 0 384.318 2.706 20 0 GFADRO C[N@@H+]1CCC[C@@H]1CCSc1nnc(-c2ccccc2Br)n1N ZINC000153867116 655071542 /nfs/dbraw/zinc/07/15/42/655071542.db2.gz TVCGVPBJQNBZGX-LLVKDONJSA-N 1 0 382.331 2.998 20 0 GFADRO C[C@@H](C(=O)Nc1cccc(Br)c1)[NH+]1CCC(CCC(N)=O)CC1 ZINC000271262923 655073400 /nfs/dbraw/zinc/07/34/00/655073400.db2.gz VDQZTQDXKSGQJE-LBPRGKRZSA-N 1 0 382.302 2.754 20 0 GFADRO C[NH2+]CCC1CCN(C(=O)/C=C/c2ccc(I)o2)CC1 ZINC000271269580 655073947 /nfs/dbraw/zinc/07/39/47/655073947.db2.gz OCISYDPCKMLZBC-HWKANZROSA-N 1 0 388.249 2.746 20 0 GFADRO COc1ccc(CNC(=O)N(C)CC2CC[NH+](C)CC2)cc1Br ZINC000103515693 655074173 /nfs/dbraw/zinc/07/41/73/655074173.db2.gz VQAYORFCQCQLGQ-UHFFFAOYSA-N 1 0 384.318 2.941 20 0 GFADRO C[N@H+](CCOc1ccc(Br)cc1)CC1CCS(=O)(=O)CC1 ZINC000271308767 655075749 /nfs/dbraw/zinc/07/57/49/655075749.db2.gz QPPONGMKANIOTE-UHFFFAOYSA-N 1 0 376.316 2.585 20 0 GFADRO O=C(CC[N@@H+]1CCC[C@H]1C(=O)N1CCSCC1)Nc1ccccc1Cl ZINC000104090877 655078485 /nfs/dbraw/zinc/07/84/85/655078485.db2.gz UAECJYHPMQNDGP-INIZCTEOSA-N 1 0 381.929 2.708 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)c(C)c1C(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC000104186885 655079474 /nfs/dbraw/zinc/07/94/74/655079474.db2.gz HRPXFUZTZAEXSB-AWEZNQCLSA-N 1 0 391.313 2.933 20 0 GFADRO COCCN1CC[C@@H]([NH2+]C2CCN(Cc3ccccc3Br)CC2)C1 ZINC000271413400 655080421 /nfs/dbraw/zinc/08/04/21/655080421.db2.gz KQRJVQKHNHZUBV-GOSISDBHSA-N 1 0 396.373 2.724 20 0 GFADRO C[C@H](CC[S@@](C)=O)[NH2+][C@H](C)CC(=O)Nc1cccc(Br)c1 ZINC000271446011 655081544 /nfs/dbraw/zinc/08/15/44/655081544.db2.gz FBRVYZAYEXDKNU-JWCBKOKGSA-N 1 0 375.332 2.913 20 0 GFADRO CCN(Cc1ccc(Cl)s1)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000104800863 655087057 /nfs/dbraw/zinc/08/70/57/655087057.db2.gz WEUBXRKKVZHLHT-CYBMUJFWSA-N 1 0 386.949 2.520 20 0 GFADRO C[C@H](CNC(=O)N[C@@H]1CCN(c2ccc(Br)cc2)C1)[N@H+](C)C1CC1 ZINC000105243455 655089753 /nfs/dbraw/zinc/08/97/53/655089753.db2.gz PZFDCBUSWBPCMF-UKRRQHHQSA-N 1 0 395.345 2.810 20 0 GFADRO COc1cc(Br)c(NC(=O)NCC2CC[NH+](C)CC2)cc1OC ZINC000105278547 655090005 /nfs/dbraw/zinc/09/00/05/655090005.db2.gz GHVULMRZKKAHNT-UHFFFAOYSA-N 1 0 386.290 2.930 20 0 GFADRO COc1ccc(Br)c(C(=O)NCCC[NH2+][C@@H]2CCO[C@H](C)C2)c1 ZINC000271762587 655093901 /nfs/dbraw/zinc/09/39/01/655093901.db2.gz SVTACJYRVMXMFU-CHWSQXEVSA-N 1 0 385.302 2.735 20 0 GFADRO C[C@@H]([NH2+]C[C@H](c1cccs1)N1CCCC1)c1cccc(S(N)(=O)=O)c1 ZINC000271833480 655096236 /nfs/dbraw/zinc/09/62/36/655096236.db2.gz JQELGNNAHOHYCD-RHSMWYFYSA-N 1 0 379.551 2.883 20 0 GFADRO CC[NH+]1CCC(CCNS(=O)(=O)c2ccc(Cl)c(C(=O)OC)c2)CC1 ZINC000156845076 655096361 /nfs/dbraw/zinc/09/63/61/655096361.db2.gz WRIGOAXJYBTFHD-UHFFFAOYSA-N 1 0 388.917 2.527 20 0 GFADRO C[C@H]([NH2+]Cc1cccc(S(=O)(=O)N(C)C)c1)c1ccc([S@](C)=O)cc1 ZINC000271850269 655096787 /nfs/dbraw/zinc/09/67/87/655096787.db2.gz VVTSWFIIFJFLQJ-BSEYFRJRSA-N 1 0 380.535 2.525 20 0 GFADRO C[N@H+]1CC=C(CNC(=O)CSc2nnc(-c3ccc(Cl)cc3)o2)CC1 ZINC000271926450 655098787 /nfs/dbraw/zinc/09/87/87/655098787.db2.gz LKPLORHVXXZRJG-UHFFFAOYSA-N 1 0 378.885 2.860 20 0 GFADRO C[C@@H]([NH2+][C@H]1CCN(c2ccc(Cl)cc2)C1)c1cccc(S(N)(=O)=O)c1 ZINC000272004135 655100464 /nfs/dbraw/zinc/10/04/64/655100464.db2.gz SHHMWLNQSBVKLE-CJNGLKHVSA-N 1 0 379.913 2.917 20 0 GFADRO C[N@H+]1CC=C(CNC(=O)N[C@@H]2CCN(c3ccc(Br)cc3)C2)CC1 ZINC000272110549 655103099 /nfs/dbraw/zinc/10/30/99/655103099.db2.gz QJVHXBQYRMPCJU-MRXNPFEDSA-N 1 0 393.329 2.589 20 0 GFADRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)CNC(=O)c1ccc(Cl)c(Cl)c1 ZINC000272126674 655103321 /nfs/dbraw/zinc/10/33/21/655103321.db2.gz AMIPABVGKZBUCA-GFCCVEGCSA-N 1 0 386.323 2.912 20 0 GFADRO COCCn1cc(C[NH2+][C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)cn1 ZINC000272145296 655104013 /nfs/dbraw/zinc/10/40/13/655104013.db2.gz CAGIEMPOGNDLRU-INIZCTEOSA-N 1 0 383.279 2.731 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C2(c3ccc(Br)cc3)CCOCC2)C1 ZINC000272174137 655105023 /nfs/dbraw/zinc/10/50/23/655105023.db2.gz CITFGTXULFEOCX-ZIAGYGMSSA-N 1 0 381.314 2.693 20 0 GFADRO C[NH+](C)[C@H]1Cc2ccccc2N(Cn2cc(Br)c([N+](=O)[O-])n2)C1 ZINC000158511384 655107246 /nfs/dbraw/zinc/10/72/46/655107246.db2.gz ZNLRRRXJQATXJK-LBPRGKRZSA-N 1 0 380.246 2.504 20 0 GFADRO CC(C)(O)C[NH+]1CCN(Cn2nc(-c3ccccc3Cl)oc2=S)CC1 ZINC000158579161 655107641 /nfs/dbraw/zinc/10/76/41/655107641.db2.gz XMKONRXKYAFAMN-UHFFFAOYSA-N 1 0 382.917 2.872 20 0 GFADRO COc1ccc(OC(F)F)c(NC(=O)N2C[C@H](SC)[C@@H]([NH+](C)C)C2)c1 ZINC000272333333 655109216 /nfs/dbraw/zinc/10/92/16/655109216.db2.gz KTWVYJAFYWQCHQ-JSGCOSHPSA-N 1 0 375.441 2.806 20 0 GFADRO O=C(Nc1ccccc1Br)C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000106963068 655115796 /nfs/dbraw/zinc/11/57/96/655115796.db2.gz VDQZQNJPLUWFTB-LBPRGKRZSA-N 1 0 380.286 2.521 20 0 GFADRO COCC[N@H+](C)CCCC1CCN(Cn2nc(N(C)C)sc2=S)CC1 ZINC000159840878 655117304 /nfs/dbraw/zinc/11/73/04/655117304.db2.gz SBUNUTPJXKJXDI-UHFFFAOYSA-N 1 0 387.619 2.768 20 0 GFADRO C[C@@H]([NH2+]C1CCN(CCS(C)(=O)=O)CC1)c1ccc(Br)s1 ZINC000159914987 655117564 /nfs/dbraw/zinc/11/75/64/655117564.db2.gz KBBKIJXLUAYCCO-LLVKDONJSA-N 1 0 395.388 2.670 20 0 GFADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)C[C@H]3Sc4ccc(Cl)cc4NC3=O)[C@@H]2C1 ZINC000272620381 655117588 /nfs/dbraw/zinc/11/75/88/655117588.db2.gz LTBVZRPTNLTJBU-DJSGYFEHSA-N 1 0 379.913 2.696 20 0 GFADRO CS(=O)(=O)CCN1CCC([NH2+][C@H]2CCSc3c(Cl)cccc32)CC1 ZINC000159999949 655118405 /nfs/dbraw/zinc/11/84/05/655118405.db2.gz NLTSMFAJZICEKV-INIZCTEOSA-N 1 0 388.986 2.976 20 0 GFADRO COc1c(Cl)cc(NC(=O)C(=O)NCC2(C)CC[NH+](C)CC2)cc1Cl ZINC000272675937 655118607 /nfs/dbraw/zinc/11/86/07/655118607.db2.gz LCNOEIXQCRFBAB-UHFFFAOYSA-N 1 0 388.295 2.789 20 0 GFADRO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(C(=O)c2sccc2SC(F)F)CC1 ZINC000107242778 655118842 /nfs/dbraw/zinc/11/88/42/655118842.db2.gz BNJOGCRCULNSLI-NSHDSACASA-N 1 0 389.493 2.617 20 0 GFADRO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)c2cc(Br)cs2)CC1 ZINC000107281766 655119517 /nfs/dbraw/zinc/11/95/17/655119517.db2.gz KTZRMMWXWGSBBR-CQSZACIVSA-N 1 0 386.359 2.753 20 0 GFADRO CN(Cc1cc(Br)cs1)C(=O)C[N@H+](C)C[C@H]1CCCOC1 ZINC000107692373 655123664 /nfs/dbraw/zinc/12/36/64/655123664.db2.gz VNGJFRNACQQSQY-GFCCVEGCSA-N 1 0 375.332 2.827 20 0 GFADRO O=S(=O)(c1c(Cl)nc2ccccn21)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000107707636 655124112 /nfs/dbraw/zinc/12/41/12/655124112.db2.gz HUYWXUYUATZEGA-AWEZNQCLSA-N 1 0 382.917 2.627 20 0 GFADRO O=C(Nc1cccc(C(=O)NC[C@@H]2CC[NH2+]C2)c1)c1ccc(Br)o1 ZINC000273036953 655128289 /nfs/dbraw/zinc/12/82/89/655128289.db2.gz OBYIIATYWUODNM-LLVKDONJSA-N 1 0 392.253 2.634 20 0 GFADRO O=C(NC[C@H]1CC[NH2+]C1)c1ccc(COc2ccc(Br)cc2)o1 ZINC000273075957 655129523 /nfs/dbraw/zinc/12/95/23/655129523.db2.gz WPAJBEGKNZTITR-LBPRGKRZSA-N 1 0 379.254 2.960 20 0 GFADRO C[C@@H]1CCC[N@H+](CCCCNC(=O)c2sccc2S(=O)(=O)C(F)F)C1 ZINC000108258742 655129882 /nfs/dbraw/zinc/12/98/82/655129882.db2.gz BNAONOXBEJYSMZ-GFCCVEGCSA-N 1 0 394.509 2.986 20 0 GFADRO O=C(N[C@H]1CC[N@H+](CC2CC2)C1)c1cnn(-c2cccc(Br)c2)c1 ZINC000108298258 655130644 /nfs/dbraw/zinc/13/06/44/655130644.db2.gz FUIBYMRVGSWBEU-INIZCTEOSA-N 1 0 389.297 2.849 20 0 GFADRO COc1ccc(Br)cc1C(=O)CCC(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000108332828 655131228 /nfs/dbraw/zinc/13/12/28/655131228.db2.gz MQJCFBITKWHJQH-CYBMUJFWSA-N 1 0 397.313 2.879 20 0 GFADRO C[NH+](C)CCCNC(=O)c1cnn(-c2ncccc2Cl)c1C(F)(F)Cl ZINC000108462674 655133058 /nfs/dbraw/zinc/13/30/58/655133058.db2.gz KQIAXRUXWYYLMS-UHFFFAOYSA-N 1 0 392.237 2.890 20 0 GFADRO Cc1ccc(NC(=O)c2cnn(C)c2Br)c(OCC[NH+](C)C)c1 ZINC000273193382 655134793 /nfs/dbraw/zinc/13/47/93/655134793.db2.gz IKFDQOZZNTVOFT-UHFFFAOYSA-N 1 0 381.274 2.684 20 0 GFADRO CC[NH+]1CCN(CCC(=O)N2CCc3c(Br)ccc(F)c3C2)CC1 ZINC000273511639 655145987 /nfs/dbraw/zinc/14/59/87/655145987.db2.gz RUXSPKKJVMDGAE-UHFFFAOYSA-N 1 0 398.320 2.501 20 0 GFADRO Cc1csc([C@@](O)(CC(=O)NCC2([NH+](C)C)CCCC2)C(F)(F)F)n1 ZINC000109454973 655146865 /nfs/dbraw/zinc/14/68/65/655146865.db2.gz SYYKXPSQNIUGAO-HNNXBMFYSA-N 1 0 379.448 2.582 20 0 GFADRO COC(=O)CN(C)C(=O)CC[N@@H+]1CCc2sccc2[C@@H]1c1cccs1 ZINC000109827116 655152904 /nfs/dbraw/zinc/15/29/04/655152904.db2.gz SWMFJSPPJZKMLK-GOSISDBHSA-N 1 0 378.519 2.779 20 0 GFADRO C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)C1 ZINC000109848974 655153636 /nfs/dbraw/zinc/15/36/36/655153636.db2.gz WHZMSAWQLLHOTB-WBMJQRKESA-N 1 0 384.307 2.666 20 0 GFADRO CC1(C)C[C@H]([NH2+][C@@H](CO)c2ccccc2I)CCO1 ZINC000934826782 664924561 /nfs/dbraw/zinc/92/45/61/664924561.db2.gz NOKKXHOKTYIFEQ-RISCZKNCSA-N 1 0 375.250 2.872 20 0 GFADRO C[NH+]1CCN([C@H]2CCCCN(C(=O)c3sccc3Br)C2)CC1 ZINC000173274748 655166583 /nfs/dbraw/zinc/16/65/83/655166583.db2.gz IFUKNFCWCUVDGB-ZDUSSCGKSA-N 1 0 386.359 2.753 20 0 GFADRO CN1CC[NH+]([C@H]2CCCCN(C(=O)c3ccc(Br)cc3)C2)CC1 ZINC000173275843 655166616 /nfs/dbraw/zinc/16/66/16/655166616.db2.gz BBYRDRNZMGNKRB-KRWDZBQOSA-N 1 0 380.330 2.691 20 0 GFADRO C[NH+]1CCN([C@H]2CCCCN(C(=O)c3cc(F)cc(Br)c3)C2)CC1 ZINC000173278338 655166884 /nfs/dbraw/zinc/16/68/84/655166884.db2.gz CZRPTQSYTHKFAM-KRWDZBQOSA-N 1 0 398.320 2.830 20 0 GFADRO C[NH+](C)[C@@H]1CCCN(Cc2csc(-c3ccc(S(C)(=O)=O)cc3)n2)C1 ZINC000111249925 655167435 /nfs/dbraw/zinc/16/74/35/655167435.db2.gz JNGPGUBELCXMQW-MRXNPFEDSA-N 1 0 379.551 2.740 20 0 GFADRO OC1C[C@H]2CC[C@@H](C1)N2Cc1nc(Cc2cccc(Br)c2)no1 ZINC000111313431 655168631 /nfs/dbraw/zinc/16/86/31/655168631.db2.gz OLGVRIZWPXOOMO-YIONKMFJSA-N 1 0 378.270 2.911 20 0 GFADRO C[C@@H](Oc1ccccc1Br)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000112241385 655185650 /nfs/dbraw/zinc/18/56/50/655185650.db2.gz TVKHWWYQSFNNRO-GFCCVEGCSA-N 1 0 381.274 2.613 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)CN1CCSC1=O)c1cccc(C(F)(F)F)c1 ZINC000274375532 655186123 /nfs/dbraw/zinc/18/61/23/655186123.db2.gz HTHAKXRIWSEHEC-CYBMUJFWSA-N 1 0 375.416 2.593 20 0 GFADRO Brc1ccc(-c2c[nH]c(C[NH2+]C[C@H]3CN(C4CC4)CCO3)n2)cc1 ZINC000112374235 655190521 /nfs/dbraw/zinc/19/05/21/655190521.db2.gz GOIWOLCVQZACQZ-INIZCTEOSA-N 1 0 391.313 2.792 20 0 GFADRO C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)c1c(Cl)nccc1C(F)(F)F ZINC000274589625 655194062 /nfs/dbraw/zinc/19/40/62/655194062.db2.gz ISQGBFJXOKGWBJ-NSHDSACASA-N 1 0 378.826 2.510 20 0 GFADRO CC(C)(C)[NH2+]CCNC(=O)c1nn(-c2ccc(F)cc2)cc1Br ZINC000174249267 655195136 /nfs/dbraw/zinc/19/51/36/655195136.db2.gz HKBCEHHBLOUASA-UHFFFAOYSA-N 1 0 383.265 2.892 20 0 GFADRO Cc1ccc(CCC(=O)N[C@@H](C)CC[NH+]2CCN(C)CC2)c(Br)c1 ZINC000274654377 655195738 /nfs/dbraw/zinc/19/57/38/655195738.db2.gz DFGNMDVIKYIVCK-INIZCTEOSA-N 1 0 396.373 2.832 20 0 GFADRO Cc1c(Br)scc1C(=O)Nc1ccc(=O)n(CC[NH+](C)C)c1 ZINC000274657546 655196166 /nfs/dbraw/zinc/19/61/66/655196166.db2.gz DXNXDAXAHBIYGN-UHFFFAOYSA-N 1 0 384.299 2.795 20 0 GFADRO C[C@@H]([NH2+]CCCCCS(C)(=O)=O)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000274759862 655200205 /nfs/dbraw/zinc/20/02/05/655200205.db2.gz DHJQVZCZNCQYFA-GFCCVEGCSA-N 1 0 383.482 2.548 20 0 GFADRO COc1cc(Br)cc(NC(=O)N[C@@H](C)CC[NH+]2CCN(C)CC2)c1 ZINC000274819757 655203488 /nfs/dbraw/zinc/20/34/88/655203488.db2.gz OITKQHUUGQCKGY-ZDUSSCGKSA-N 1 0 399.333 2.605 20 0 GFADRO CC[NH+](CC)[C@@H]1CCN(C(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)C1 ZINC000174582848 655204351 /nfs/dbraw/zinc/20/43/51/655204351.db2.gz HBYCETFKQAEWFJ-CYBMUJFWSA-N 1 0 375.441 2.631 20 0 GFADRO CCS(=O)(=O)C[C@@H](C)[NH2+]Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000113350609 655208281 /nfs/dbraw/zinc/20/82/81/655208281.db2.gz ORNAEHGRINKGCB-GFCCVEGCSA-N 1 0 375.416 2.804 20 0 GFADRO C[NH+](C)C[C@@H]1CCN(Cc2nc(Cc3cccc(Br)c3)no2)C1 ZINC000113514142 655211701 /nfs/dbraw/zinc/21/17/01/655211701.db2.gz NKROIRAWCPWUJI-AWEZNQCLSA-N 1 0 379.302 2.806 20 0 GFADRO C[C@H]1CCC[N@H+](CCNC(=O)c2cc(=O)[nH]c3c(Br)cccc23)C1 ZINC000175520628 655222045 /nfs/dbraw/zinc/22/20/45/655222045.db2.gz OCDSRANYWBJUSL-LBPRGKRZSA-N 1 0 392.297 2.752 20 0 GFADRO COCCC[N@H+](C)CCNC(=O)Nc1cccc(Br)c1COC ZINC000175850716 655228959 /nfs/dbraw/zinc/22/89/59/655228959.db2.gz MDSBDNCECXNVQZ-UHFFFAOYSA-N 1 0 388.306 2.685 20 0 GFADRO Cc1nc(-c2cnn(C)c2)sc1C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000115317908 655234754 /nfs/dbraw/zinc/23/47/54/655234754.db2.gz LDIHRZZZIOQCQQ-ZDUSSCGKSA-N 1 0 375.523 2.946 20 0 GFADRO C[C@H]1CCC[N@H+](CCCCNC(=O)c2cc(I)c[nH]2)C1 ZINC000115334437 655235374 /nfs/dbraw/zinc/23/53/74/655235374.db2.gz NXKYPOJULWLVDH-LBPRGKRZSA-N 1 0 389.281 2.861 20 0 GFADRO C[C@H](NC(=O)c1cccs1)C(=O)NC1CC[NH+](Cc2ccsc2)CC1 ZINC000115444895 655237653 /nfs/dbraw/zinc/23/76/53/655237653.db2.gz TUQJYPCPKRHADT-ZDUSSCGKSA-N 1 0 377.535 2.709 20 0 GFADRO C[NH+](C)CC[C@H](NC(=O)CCS(=O)(=O)c1ccc(Cl)cc1)C(C)(C)C ZINC000116130786 655244471 /nfs/dbraw/zinc/24/44/71/655244471.db2.gz IXKIODACRRCNPJ-INIZCTEOSA-N 1 0 388.961 2.986 20 0 GFADRO CCO[C@H](CC[NH+](C)C)CNC(=O)C1(c2ccc(Br)cc2)CC1 ZINC000176875332 655258481 /nfs/dbraw/zinc/25/84/81/655258481.db2.gz AWYSFEDRLWOTPH-MRXNPFEDSA-N 1 0 383.330 2.954 20 0 GFADRO NS(=O)(=O)c1ccc(CC[N@@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)cc1 ZINC000117354107 655264338 /nfs/dbraw/zinc/26/43/38/655264338.db2.gz CEUBXUQKVNOJLO-UHFFFAOYSA-N 1 0 390.349 2.693 20 0 GFADRO C[C@H]1C[C@H](NC(=O)c2cnn(-c3cccc(Br)c3)c2)C[N@@H+]1C1CC1 ZINC000177048974 655266157 /nfs/dbraw/zinc/26/61/57/655266157.db2.gz DHGQAXHTMFBSTQ-WFASDCNBSA-N 1 0 389.297 2.990 20 0 GFADRO O=C(C[C@@H](O)c1cc(Cl)cc(Cl)c1)NCCCC[NH+]1CCOCC1 ZINC000177070713 655266845 /nfs/dbraw/zinc/26/68/45/655266845.db2.gz VIWFDLQXIDYILT-MRXNPFEDSA-N 1 0 375.296 2.646 20 0 GFADRO O=C(NCC[NH+]1CCCCC1)c1nn(-c2ccc(F)cc2)cc1Br ZINC000117756411 655267616 /nfs/dbraw/zinc/26/76/16/655267616.db2.gz IMXGLAMKRCOECL-UHFFFAOYSA-N 1 0 395.276 2.990 20 0 GFADRO C[NH+](C)C1CCN(CCNC(=O)/C=C/c2cc(Br)ccc2F)CC1 ZINC000177130471 655269545 /nfs/dbraw/zinc/26/95/45/655269545.db2.gz JPNMOBHJLYHYOJ-ZZXKWVIFSA-N 1 0 398.320 2.744 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)C[C@H]2Sc3ccc(Cl)cc3NC2=O)C[N@@H+]1C1CC1 ZINC000177135870 655269793 /nfs/dbraw/zinc/26/97/93/655269793.db2.gz LSYCUOWVERUYMC-RSAASHCRSA-N 1 0 379.913 2.884 20 0 GFADRO COC(=O)[C@@]1(C)CC[N@H+](Cn2nc(-c3ccc(Br)cc3)nc2C)C1 ZINC000177225590 655270815 /nfs/dbraw/zinc/27/08/15/655270815.db2.gz UGEJIXMXUITLEL-KRWDZBQOSA-N 1 0 393.285 2.859 20 0 GFADRO C[C@H](CNC(=O)C(=O)Nc1ccc(Br)cc1Cl)[N@H+](C)C1CC1 ZINC000118128278 655272508 /nfs/dbraw/zinc/27/25/08/655272508.db2.gz RLLJUIPQWROSDT-SECBINFHSA-N 1 0 388.693 2.640 20 0 GFADRO C[C@@H](CNC(=O)C(=O)Nc1ccccc1SC(F)(F)F)[N@H+](C)C1CC1 ZINC000118128660 655272542 /nfs/dbraw/zinc/27/25/42/655272542.db2.gz JNYWDFXTFOFKRK-JTQLQIEISA-N 1 0 375.416 2.836 20 0 GFADRO CC(C)[N@H+](C)CCNC(=O)Nc1ccc(F)cc1I ZINC000177281608 655272906 /nfs/dbraw/zinc/27/29/06/655272906.db2.gz SSIZORHLFQDRIO-UHFFFAOYSA-N 1 0 379.217 2.892 20 0 GFADRO Cn1nccc1C[NH2+]CC(C)(C)S(=O)(=O)c1ccc(Br)cc1 ZINC000177560212 655281422 /nfs/dbraw/zinc/28/14/22/655281422.db2.gz YAYBIFJUJNKRHO-UHFFFAOYSA-N 1 0 386.315 2.525 20 0 GFADRO CS[C@@H](CO)[C@H](C)NC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000119070553 655288745 /nfs/dbraw/zinc/28/87/45/655288745.db2.gz JNFREGTWOZMENK-GUYCJALGSA-N 1 0 385.961 2.716 20 0 GFADRO CC[N@@H+](Cc1cc(Br)ccc1F)C[C@H](O)COC1CCOCC1 ZINC000119112396 655290755 /nfs/dbraw/zinc/29/07/55/655290755.db2.gz OJWYCTOQRQDSNI-HNNXBMFYSA-N 1 0 390.293 2.967 20 0 GFADRO COc1ccc(Br)cc1S(=O)(=O)N1CCC[C@H]([NH+](C)C)CC1 ZINC000276944548 655294371 /nfs/dbraw/zinc/29/43/71/655294371.db2.gz BRJMZBHMAKCDAL-ZDUSSCGKSA-N 1 0 391.331 2.563 20 0 GFADRO C[C@@H]([NH2+]C[C@@H]1CCn2ncc(C(N)=O)c2C1)c1ccc(Br)s1 ZINC000276942961 655294409 /nfs/dbraw/zinc/29/44/09/655294409.db2.gz NQYOKMCAFYPNSX-NXEZZACHSA-N 1 0 383.315 2.719 20 0 GFADRO O=C(/C=C/c1ccccc1Br)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000178086917 655297309 /nfs/dbraw/zinc/29/73/09/655297309.db2.gz BDBOEKKFFVXKPV-NFAHFFEMSA-N 1 0 379.298 2.643 20 0 GFADRO O=S(=O)(N1CCC(C[NH2+][C@H]2CCc3ccccc3C2)CC1)C(F)(F)F ZINC000178107276 655297894 /nfs/dbraw/zinc/29/78/94/655297894.db2.gz WBIUVAVCUUCPMD-INIZCTEOSA-N 1 0 376.444 2.695 20 0 GFADRO Cc1ccc(S(=O)(=O)N2CCC[C@H]([NH+](C)C)CC2)c(Br)c1 ZINC000277010150 655298109 /nfs/dbraw/zinc/29/81/09/655298109.db2.gz LHMUTRUFCFWNGN-ZDUSSCGKSA-N 1 0 375.332 2.862 20 0 GFADRO CS(=O)(=O)[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CSCCN1Cc1ccccc1 ZINC000277063580 655301049 /nfs/dbraw/zinc/30/10/49/655301049.db2.gz IFOYOMFDCWOSAU-CEXWTWQISA-N 1 0 382.595 2.549 20 0 GFADRO O=S(=O)(C1CC1)N1CCC([NH2+]Cc2cc(Cl)cc3cccnc32)CC1 ZINC000119382894 655301693 /nfs/dbraw/zinc/30/16/93/655301693.db2.gz NSIGGBSQRSEMNC-UHFFFAOYSA-N 1 0 379.913 2.934 20 0 GFADRO COc1ccc(Br)c(CC(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)c1 ZINC000119391064 655302223 /nfs/dbraw/zinc/30/22/23/655302223.db2.gz OLGITTRERZJQJQ-DYVFJYSZSA-N 1 0 381.314 2.943 20 0 GFADRO COc1ccsc1S(=O)(=O)NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000119455236 655304362 /nfs/dbraw/zinc/30/43/62/655304362.db2.gz WSNMPDUPAFKBNV-UHFFFAOYSA-N 1 0 384.523 2.566 20 0 GFADRO Cc1ccc(Br)c(NC(=O)C(=O)N2CCC[C@H]([NH+](C)C)CC2)c1 ZINC000277164086 655306081 /nfs/dbraw/zinc/30/60/81/655306081.db2.gz SGYFNJLTMFQQBS-ZDUSSCGKSA-N 1 0 382.302 2.639 20 0 GFADRO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)c1cc(Br)nn1C ZINC000277205176 655307742 /nfs/dbraw/zinc/30/77/42/655307742.db2.gz JNOQYGMETIBXAD-ZFWWWQNUSA-N 1 0 389.297 2.939 20 0 GFADRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)COc2ccc(C=O)cc2Br)C1 ZINC000119719447 655312553 /nfs/dbraw/zinc/31/25/53/655312553.db2.gz JZMMOYZKYBDWMD-OAHLLOKOSA-N 1 0 397.313 2.735 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(Br)c(C)c2)[C@H](C)C1 ZINC000119830702 655317537 /nfs/dbraw/zinc/31/75/37/655317537.db2.gz XFGMZSFDALHMQX-CZUORRHYSA-N 1 0 396.329 2.885 20 0 GFADRO CC[NH+]1CCN([C@H](C)CNC(=O)C[C@H](O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000179882617 655319027 /nfs/dbraw/zinc/31/90/27/655319027.db2.gz OGHMRRUAVXPSNW-DYVFJYSZSA-N 1 0 388.339 2.559 20 0 GFADRO COC(=O)c1cc(NC(=O)N2CC[C@@H]([NH+](C)C)C2)cc(Br)c1F ZINC000277478228 655321914 /nfs/dbraw/zinc/32/19/14/655321914.db2.gz NVHJGMNZYYFJKH-SNVBAGLBSA-N 1 0 388.237 2.543 20 0 GFADRO CC(C)[C@H](CSc1ccccc1)[NH2+]C1CCN(CCS(C)(=O)=O)CC1 ZINC000180512172 655327721 /nfs/dbraw/zinc/32/77/21/655327721.db2.gz STFKGTNPKGUGHI-IBGZPJMESA-N 1 0 384.611 2.902 20 0 GFADRO Cc1c(Cl)cc(NC(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)cc1Cl ZINC000120112203 655328126 /nfs/dbraw/zinc/32/81/26/655328126.db2.gz KYHGQWRVTOUXHC-UHFFFAOYSA-N 1 0 384.267 2.637 20 0 GFADRO CC[NH+](CC)CCN(CCOC)C(=O)Nc1ccc(Br)nc1C ZINC000181341476 655335438 /nfs/dbraw/zinc/33/54/38/655335438.db2.gz IUYCNPUXMXJEPO-UHFFFAOYSA-N 1 0 387.322 2.975 20 0 GFADRO C[C@H]1C[C@H](NCc2nnc(-c3ccc(Br)cc3)[nH]2)C[N@@H+]1C1CC1 ZINC000120487321 655336985 /nfs/dbraw/zinc/33/69/85/655336985.db2.gz POXWPXGAOHGFQE-FZMZJTMJSA-N 1 0 376.302 2.949 20 0 GFADRO CC(C)([NH2+]CN1CC2(CCOCC2)[C@H](O)C1=O)c1ccc(Cl)c(Cl)c1 ZINC000839978884 661121809 /nfs/dbraw/zinc/12/18/09/661121809.db2.gz HPQUHDYMNHBGBI-OAHLLOKOSA-N 1 0 387.307 2.776 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)c2ccc(F)c(I)c2)C[N@@H+]1C1CC1 ZINC000120557099 655338939 /nfs/dbraw/zinc/33/89/39/655338939.db2.gz TUKVCRFXRWZXNH-KOLCDFICSA-N 1 0 388.224 2.785 20 0 GFADRO Cn1ccnc1[C@@H](O)C1CC[NH+](C[C@@H](O)c2ccc(Br)cc2)CC1 ZINC000120570210 655339492 /nfs/dbraw/zinc/33/94/92/655339492.db2.gz OQHOKBFMHYHTGX-SJORKVTESA-N 1 0 394.313 2.662 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000120600631 655340137 /nfs/dbraw/zinc/34/01/37/655340137.db2.gz BGFMBFGXSFJDIX-CJNGLKHVSA-N 1 0 394.313 2.639 20 0 GFADRO C[C@@H](Cn1cc(Br)cn1)[NH2+]C[C@H](c1ccccc1)N1CCOCC1 ZINC000120642666 655340973 /nfs/dbraw/zinc/34/09/73/655340973.db2.gz XTUZPAWEYVGJHS-MAUKXSAKSA-N 1 0 393.329 2.697 20 0 GFADRO CN(Cc1ccccc1Br)C(=O)CN1CCC[C@H]([NH+]2CCCC2)C1 ZINC000120687433 655342395 /nfs/dbraw/zinc/34/23/95/655342395.db2.gz JWKWGXODXQFNMR-KRWDZBQOSA-N 1 0 394.357 2.968 20 0 GFADRO O[C@H](CN1CCC(C[NH+]2CCOCC2)CC1)c1cccc(Br)c1 ZINC000120719839 655343115 /nfs/dbraw/zinc/34/31/15/655343115.db2.gz FSBTZVPTSBMGEQ-GOSISDBHSA-N 1 0 383.330 2.527 20 0 GFADRO COc1ccc(O)c([C@@H](C)[NH2+]CC(=O)Nc2ccc(Br)cn2)c1 ZINC000182351901 655343661 /nfs/dbraw/zinc/34/36/61/655343661.db2.gz OBWSGBZCJCQLFW-SNVBAGLBSA-N 1 0 380.242 2.848 20 0 GFADRO S=c1n2cc(Br)ccc2nn1CN1CC[NH+](C2CCC2)CC1 ZINC000839996005 661123194 /nfs/dbraw/zinc/12/31/94/661123194.db2.gz HZAFKCQKYSOPIX-UHFFFAOYSA-N 1 0 382.331 2.755 20 0 GFADRO CC[NH+]1CCN([C@@H](C)CNC(=O)CCOc2ccc(Cl)cc2Cl)CC1 ZINC000120876582 655345891 /nfs/dbraw/zinc/34/58/91/655345891.db2.gz YOVBRTMLRJEBMS-AWEZNQCLSA-N 1 0 388.339 2.905 20 0 GFADRO CC(C)[N@@H+](C)C[C@@H](C)Nc1cnn(-c2ccccn2)c(=O)c1Br ZINC000292947153 655357820 /nfs/dbraw/zinc/35/78/20/655357820.db2.gz BSEBPZGDFVYYCR-GFCCVEGCSA-N 1 0 380.290 2.531 20 0 GFADRO CN1CC[NH+](CC2CCN(C(=O)c3cccc(F)c3Br)CC2)CC1 ZINC000293759049 655361351 /nfs/dbraw/zinc/36/13/51/655361351.db2.gz XBWIBENGGURJHK-UHFFFAOYSA-N 1 0 398.320 2.688 20 0 GFADRO COc1cc(CN2CCC[C@@H](O)CC2)cc(I)c1OC ZINC000293906556 655362304 /nfs/dbraw/zinc/36/23/04/655362304.db2.gz FSEOONSCAHXENA-GFCCVEGCSA-N 1 0 391.249 2.655 20 0 GFADRO C[C@@H]([NH2+]C[C@H](C)CN1CC[NH+](C)CC1)c1cc(Br)cc(F)c1[O-] ZINC000185344172 655363873 /nfs/dbraw/zinc/36/38/73/655363873.db2.gz ZGHZPKQZTMWMFH-QWHCGFSZSA-N 1 0 388.325 2.828 20 0 GFADRO CCOC(=O)N1CC[C@H]([NH2+][C@H](C)CC(=O)Nc2ccc(Br)cc2)C1 ZINC000186445132 655369509 /nfs/dbraw/zinc/36/95/09/655369509.db2.gz TUWJHCYYYUIDMG-DOMZBBRYSA-N 1 0 398.301 2.987 20 0 GFADRO CC(C)(C)[NH+]1CCC(NC(=O)Nc2nc3cc(Br)ccn3n2)CC1 ZINC000297398814 655370231 /nfs/dbraw/zinc/37/02/31/655370231.db2.gz ZAIXYFMBFIIRDF-UHFFFAOYSA-N 1 0 395.305 2.876 20 0 GFADRO CC[C@H](COCC(F)(F)F)[NH2+][C@H](C)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000297442547 655370700 /nfs/dbraw/zinc/37/07/00/655370700.db2.gz WHJINXNAQWWOGW-TZMCWYRMSA-N 1 0 382.448 2.945 20 0 GFADRO C[C@@H]1[C@H]([NH3+])CCCN1C(=O)c1nn(-c2ccc(F)cc2)cc1Br ZINC000297454473 655370951 /nfs/dbraw/zinc/37/09/51/655370951.db2.gz WSBHAFSOFBCBFY-QMTHXVAHSA-N 1 0 381.249 2.726 20 0 GFADRO Cc1cc(Br)cc([C@H](C)[NH2+]C2CCN(S(C)(=O)=O)CC2)c1O ZINC000186976992 655372238 /nfs/dbraw/zinc/37/22/38/655372238.db2.gz AQJQTLBUPOHFSF-NSHDSACASA-N 1 0 391.331 2.538 20 0 GFADRO CC[NH+]1CCC(NC(=O)COc2ccc(Br)cc2C(C)=O)CC1 ZINC000298190839 655372719 /nfs/dbraw/zinc/37/27/19/655372719.db2.gz CFTLBHJMPJVVLG-UHFFFAOYSA-N 1 0 383.286 2.631 20 0 GFADRO CC(C)C[NH+]1CCC(NC(=O)CN2C(=S)N=NC2c2cccs2)CC1 ZINC000299365265 655374948 /nfs/dbraw/zinc/37/49/48/655374948.db2.gz SOJDRMGCWMOGAQ-UHFFFAOYSA-N 1 0 379.555 2.532 20 0 GFADRO Cc1nc(Cc2nn(CN3CC[C@@]4(C3)CCC[N@@H+](C)C4)c(=S)o2)cs1 ZINC000840085121 661130596 /nfs/dbraw/zinc/13/05/96/661130596.db2.gz AHQNYDVKCIOGBV-KRWDZBQOSA-N 1 0 379.555 2.937 20 0 GFADRO C[N@@H+]1CCC[C@]2(CCN(CN3Cc4cccc(Br)c4C3=O)C2)C1 ZINC000840087368 661130620 /nfs/dbraw/zinc/13/06/20/661130620.db2.gz RKNXWRSPTXZRAL-SFHVURJKSA-N 1 0 378.314 2.780 20 0 GFADRO C[C@H](C[C@H]1COCCN1C(=O)OC(C)(C)C)[NH2+]C[C@@H]1CSCCS1 ZINC000310031948 655379038 /nfs/dbraw/zinc/37/90/38/655379038.db2.gz SGMVJCCCKCQANS-QLFBSQMISA-N 1 0 376.588 2.839 20 0 GFADRO CC[C@H]1C[N@H+](C)CCN1Cn1nc(-c2ccc(Br)cc2)nc1C ZINC000840092014 661131462 /nfs/dbraw/zinc/13/14/62/661131462.db2.gz RGNZBBYBFFZMGB-INIZCTEOSA-N 1 0 378.318 3.000 20 0 GFADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)Oc1ccc(Cl)cc1F ZINC000189525740 655386880 /nfs/dbraw/zinc/38/68/80/655386880.db2.gz VVHDKGWVKIMOGG-UHFFFAOYSA-N 1 0 375.853 2.622 20 0 GFADRO O=C(c1nn(-c2ccc(F)cc2)cc1Br)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000333804029 655388122 /nfs/dbraw/zinc/38/81/22/655388122.db2.gz IGUSEJJOTWWBHC-QGZVFWFLSA-N 1 0 393.260 2.742 20 0 GFADRO O=C(c1cn(-c2ccc(Br)cc2)cn1)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000333816817 655388229 /nfs/dbraw/zinc/38/82/29/655388229.db2.gz KHAJDXNZCIVLHT-QGZVFWFLSA-N 1 0 375.270 2.603 20 0 GFADRO O=C1N[C@H](c2ccc(Br)cc2)C(=O)N1[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000349233848 655388756 /nfs/dbraw/zinc/38/87/56/655388756.db2.gz JJQLQTCHLUGCMC-RRFJBIMHSA-N 1 0 378.270 2.669 20 0 GFADRO O=C1CN(Cc2cccc(Br)c2)C(=O)N1[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000349364025 655389512 /nfs/dbraw/zinc/38/95/12/655389512.db2.gz LQVUCBGPVMSKOO-HZPDHXFCSA-N 1 0 392.297 2.840 20 0 GFADRO C[N@H+](CC1CCC2(CC1)OCCO2)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000190317130 655391183 /nfs/dbraw/zinc/39/11/83/655391183.db2.gz GGUICDBMRXJJND-MRXNPFEDSA-N 1 0 397.313 2.841 20 0 GFADRO Cc1cc(Br)oc1C(=O)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000363197556 655391261 /nfs/dbraw/zinc/39/12/61/655391261.db2.gz PIXBXNAWHPLEEQ-UHFFFAOYSA-N 1 0 385.302 2.925 20 0 GFADRO C[NH+]1CCC(CNC(=O)[C@H]2CCCN(c3ccc(Br)cn3)C2)CC1 ZINC000363205233 655391382 /nfs/dbraw/zinc/39/13/82/655391382.db2.gz OTTAYVROTLPFRR-HNNXBMFYSA-N 1 0 395.345 2.519 20 0 GFADRO C[N@@H+]1CC[C@H](CNS(=O)(=O)C[C@H]2CCCCO2)[C@H]1c1cccc(Cl)c1 ZINC000363218553 655391732 /nfs/dbraw/zinc/39/17/32/655391732.db2.gz JRGXCQJAXKBTSG-KBAYOESNSA-N 1 0 386.945 2.821 20 0 GFADRO Cc1c[nH+]ccc1N1CCC(C(=O)Nc2cnc(Br)cn2)CC1 ZINC000366006573 655397909 /nfs/dbraw/zinc/39/79/09/655397909.db2.gz AGHWFSYZROIDJG-UHFFFAOYSA-N 1 0 376.258 2.798 20 0 GFADRO CC[NH+](CC)[C@H](CNC(=O)c1cc(Br)nn1C)c1ccccc1 ZINC000192078262 655402354 /nfs/dbraw/zinc/40/23/54/655402354.db2.gz YFHQNCHMXVIDPR-OAHLLOKOSA-N 1 0 379.302 2.996 20 0 GFADRO COC(=O)[C@H]1CN(c2ccc3ccc(Br)cc3n2)CC[N@H+](C)C1 ZINC000413508141 655402859 /nfs/dbraw/zinc/40/28/59/655402859.db2.gz WZPDXJAJLYMTSF-CYBMUJFWSA-N 1 0 378.270 2.538 20 0 GFADRO [NH3+]C[C@@H]1CCN(S(=O)(=O)c2cc(Br)c(Cl)cc2Cl)C1 ZINC000193252764 655409056 /nfs/dbraw/zinc/40/90/56/655409056.db2.gz YKGDLUGJLFNOGW-ZETCQYMHSA-N 1 0 388.114 2.725 20 0 GFADRO C[NH2+][C@@H]1CCCN(S(=O)(=O)c2cc(Cl)c(Br)cc2F)C1 ZINC000193332469 655409393 /nfs/dbraw/zinc/40/93/93/655409393.db2.gz SXVCSGITJFFWBQ-MRVPVSSYSA-N 1 0 385.686 2.614 20 0 GFADRO Cc1ccc(F)c(Br)c1NC(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000453606472 655411911 /nfs/dbraw/zinc/41/19/11/655411911.db2.gz XYCXNDQFRIKYFK-RYUDHWBXSA-N 1 0 398.276 2.578 20 0 GFADRO Cc1ccc(F)c(Br)c1NC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000453606473 655411937 /nfs/dbraw/zinc/41/19/37/655411937.db2.gz XYCXNDQFRIKYFK-VXGBXAGGSA-N 1 0 398.276 2.578 20 0 GFADRO Cc1ccc(S(=O)(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2)c(Cl)n1 ZINC000193793652 655412482 /nfs/dbraw/zinc/41/24/82/655412482.db2.gz QNIQSCOKKJKDAU-UHFFFAOYSA-N 1 0 385.892 2.935 20 0 GFADRO NC(=O)[C@H]([NH2+][C@@H]1CCc2ccccc2OC1)c1ccc(Br)cc1 ZINC000509514484 655417171 /nfs/dbraw/zinc/41/71/71/655417171.db2.gz DZNGAHYILAZELE-NVXWUHKLSA-N 1 0 375.266 2.959 20 0 GFADRO CS(=O)(=O)N[C@H]1CCCC[C@@H]1C[NH2+]Cc1sccc1Br ZINC000512895332 655418028 /nfs/dbraw/zinc/41/80/28/655418028.db2.gz OLPGDOAMFAHKCR-PWSUYJOCSA-N 1 0 381.361 2.708 20 0 GFADRO O=C1c2ccccc2C(=O)N1CCC[NH2+]Cc1ncc(Br)s1 ZINC000512903820 655418228 /nfs/dbraw/zinc/41/82/28/655418228.db2.gz HLMXRCBJDNLKCE-UHFFFAOYSA-N 1 0 380.267 2.682 20 0 GFADRO CS(=O)(=O)c1cc(CN(Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)co1 ZINC000530218864 655420465 /nfs/dbraw/zinc/42/04/65/655420465.db2.gz NSBJIYNZVILAHE-MRXNPFEDSA-N 1 0 380.535 2.889 20 0 GFADRO [NH3+]CCC(=O)NC[C@H]1CCCCN1Cc1ccc(Br)c(F)c1F ZINC000530216724 655420502 /nfs/dbraw/zinc/42/05/02/655420502.db2.gz CZHYUGFIPOFDHR-GFCCVEGCSA-N 1 0 390.272 2.547 20 0 GFADRO CCN(CC)C(=O)C[NH2+]Cc1cc(Br)c([O-])c(Br)c1 ZINC000221274356 655421987 /nfs/dbraw/zinc/42/19/87/655421987.db2.gz JYHQLRNQEXDJFU-UHFFFAOYSA-N 1 0 394.107 2.875 20 0 GFADRO C[C@@H]1CN(C(=O)c2cc(Cl)ccc2I)CCN1C ZINC000228858806 655423250 /nfs/dbraw/zinc/42/32/50/655423250.db2.gz JRSNEKVWCZEZIR-SECBINFHSA-N 1 0 378.641 2.721 20 0 GFADRO C[C@@H](CNS(=O)(=O)c1ccc(Br)c(F)c1)[NH+]1CCCCC1 ZINC000232226123 655423718 /nfs/dbraw/zinc/42/37/18/655423718.db2.gz INUGILHLYFRUKJ-NSHDSACASA-N 1 0 379.295 2.741 20 0 GFADRO CN(C1CCC([NH3+])CC1)S(=O)(=O)c1ccc(Cl)c(Br)c1 ZINC000234242259 655424312 /nfs/dbraw/zinc/42/43/12/655424312.db2.gz CDKPWAQLFAEUOY-UHFFFAOYSA-N 1 0 381.723 2.993 20 0 GFADRO [NH3+]C[C@@H](NC(=O)c1ccc(F)cc1I)C1CCCC1 ZINC000236262782 655424582 /nfs/dbraw/zinc/42/45/82/655424582.db2.gz NQZPCGFWEVAIAV-CYBMUJFWSA-N 1 0 376.213 2.678 20 0 GFADRO CCC([NH3+])(CC)CNC(=O)c1cc(S(=O)(=O)N(C)C(C)C)ccc1Cl ZINC000236809507 655424879 /nfs/dbraw/zinc/42/48/79/655424879.db2.gz HUJVDBKKJBLHME-UHFFFAOYSA-N 1 0 389.949 2.616 20 0 GFADRO O=C1[C@@H]([NH2+]C[C@@H](O)COCc2cccs2)CCN1c1ccccc1Cl ZINC000574191834 655426134 /nfs/dbraw/zinc/42/61/34/655426134.db2.gz IYMUHCDSILTPKH-CJNGLKHVSA-N 1 0 380.897 2.674 20 0 GFADRO O=S(=O)(c1cc(F)ccc1Br)N1CCC([NH2+]CC2CC2)CC1 ZINC000237713959 655426504 /nfs/dbraw/zinc/42/65/04/655426504.db2.gz MWNHEUAWBXOGHY-UHFFFAOYSA-N 1 0 391.306 2.741 20 0 GFADRO CCOC(=O)N1CCC([NH2+]CC(=O)Nc2ccc(Br)c(C)c2)CC1 ZINC000243083796 655427243 /nfs/dbraw/zinc/42/72/43/655427243.db2.gz ISHCMFYUELSHDP-UHFFFAOYSA-N 1 0 398.301 2.907 20 0 GFADRO C[C@H]1C[C@@H](C(=O)N2CCN(Cc3cc(Br)ccc3F)CC2)CC[NH2+]1 ZINC000574318915 655428949 /nfs/dbraw/zinc/42/89/49/655428949.db2.gz IFAXOZOSMOFCGN-KBPBESRZSA-N 1 0 398.320 2.621 20 0 GFADRO CCN(CCC[NH2+][C@H]1CCc2cccc(Br)c2C1)S(C)(=O)=O ZINC000574341978 655429345 /nfs/dbraw/zinc/42/93/45/655429345.db2.gz HKOHICIBNHZNOQ-AWEZNQCLSA-N 1 0 389.359 2.568 20 0 GFADRO CC[C@H](C)C[C@@H](C)[NH2+][C@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000246342049 655429727 /nfs/dbraw/zinc/42/97/27/655429727.db2.gz GWZNWAVGDZIRSH-RRFJBIMHSA-N 1 0 390.571 2.888 20 0 GFADRO C[N@H+](C[C@@H](O)COCc1ccccc1)C[C@@H](O)c1cccc(Br)c1 ZINC000246337691 655429798 /nfs/dbraw/zinc/42/97/98/655429798.db2.gz HOPGLYDUAQGPFD-RTBURBONSA-N 1 0 394.309 2.992 20 0 GFADRO C[C@H]1C[C@H]([NH3+])CCN1C(=O)c1cc(I)ccc1Cl ZINC000574377320 655430061 /nfs/dbraw/zinc/43/00/61/655430061.db2.gz QDROOEIBVULNPP-WCBMZHEXSA-N 1 0 378.641 2.896 20 0 GFADRO Cc1nn(C(C)C)cc1CNc1cc(N2CCOCC2)c(Br)c[nH+]1 ZINC000574837873 655431844 /nfs/dbraw/zinc/43/18/44/655431844.db2.gz NBJDISQCKATKGX-UHFFFAOYSA-N 1 0 394.317 3.379 20 0 GFADRO Cc1sc(Br)cc1S(=O)(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000252861841 655435136 /nfs/dbraw/zinc/43/51/36/655435136.db2.gz NQUIIGRUYVGIEN-GARJFASQSA-N 1 0 379.345 2.567 20 0 GFADRO CC[NH2+]CC1CCN(S(=O)(=O)c2cc(Cl)ccc2OC(F)F)CC1 ZINC000575922343 655439994 /nfs/dbraw/zinc/43/99/94/655439994.db2.gz UCDWOXHFOWNMIU-UHFFFAOYSA-N 1 0 382.860 2.952 20 0 GFADRO C[C@@H]([NH3+])CC(=O)N1CCC[C@@H]1c1nc(Cc2ccc(Br)cc2)no1 ZINC000261674799 655441732 /nfs/dbraw/zinc/44/17/32/655441732.db2.gz AXBZSLQLKAKJDW-BXUZGUMPSA-N 1 0 393.285 2.824 20 0 GFADRO [NH3+][C@H](CNC(=O)c1cc(I)cc(C(F)(F)F)c1)C1CC1 ZINC000261959339 655443229 /nfs/dbraw/zinc/44/32/29/655443229.db2.gz RQQBTVFPPNOVPA-LLVKDONJSA-N 1 0 398.166 2.777 20 0 GFADRO Cc1cc(OC[C@H](O)C[NH2+]C[C@@H](C)S(C)(=O)=O)c(C(C)C)cc1Cl ZINC000576101223 655443335 /nfs/dbraw/zinc/44/33/35/655443335.db2.gz NLWRBKJRIYMCFM-ZIAGYGMSSA-N 1 0 377.934 2.534 20 0 GFADRO O=C(NCC1C[NH2+]C1)c1cccnc1Oc1ccc(F)cc1Br ZINC000262041964 655443704 /nfs/dbraw/zinc/44/37/04/655443704.db2.gz SGLNMCRVJLQIQD-UHFFFAOYSA-N 1 0 380.217 2.725 20 0 GFADRO C[C@H]([NH2+]C[C@H](O)COc1cccc(Br)c1)C(=O)N1CCCC[C@@H]1C ZINC000576577437 655449304 /nfs/dbraw/zinc/44/93/04/655449304.db2.gz VKMOYDLNDYZBHV-DZKIICNBSA-N 1 0 399.329 2.568 20 0 GFADRO CO[C@H]1C[C@H]2C[C@H]([NH2+]CCNC(=O)c3cccc(Br)c3)C[C@H]2C1 ZINC000576626963 655449981 /nfs/dbraw/zinc/44/99/81/655449981.db2.gz CONBRIJHDMOQTL-LOXOPEBLSA-N 1 0 381.314 2.972 20 0 GFADRO O[C@@H](C[NH2+][C@@H]1CCC[C@H]2C[C@H]21)COc1ccc(I)cc1 ZINC000576840235 655452799 /nfs/dbraw/zinc/45/27/99/655452799.db2.gz UIRZZKBJRVLLQR-DDUYRFODSA-N 1 0 387.261 2.809 20 0 GFADRO O[C@H](C[NH2+][C@@H]1CCC[C@H]2C[C@H]21)COc1ccc(I)cc1 ZINC000576840238 655452801 /nfs/dbraw/zinc/45/28/01/655452801.db2.gz UIRZZKBJRVLLQR-KSZJFAHPSA-N 1 0 387.261 2.809 20 0 GFADRO O=C(N[C@@H]1CCSc2ccc(Cl)cc21)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000576862200 655453167 /nfs/dbraw/zinc/45/31/67/655453167.db2.gz QRJJMYPTNDHRPU-GXTWGEPZSA-N 1 0 377.901 2.823 20 0 GFADRO Cc1cc(C(=O)NC[C@]2(O)C[NH+]3CCC2CC3)cc(Cl)c1Br ZINC000576864905 655453328 /nfs/dbraw/zinc/45/33/28/655453328.db2.gz ZLPJQDNQVDZOIH-INIZCTEOSA-N 1 0 387.705 2.597 20 0 GFADRO Cn1nc(Br)c2c1ncnc2N1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000263972199 655455221 /nfs/dbraw/zinc/45/52/21/655455221.db2.gz VMSLSPNXVQQWAO-ZDUSSCGKSA-N 1 0 387.285 2.619 20 0 GFADRO Cc1cc(NC(=O)CC[NH2+][C@H]2CCN(c3ccc(Cl)cc3Cl)C2)no1 ZINC000576979847 655455879 /nfs/dbraw/zinc/45/58/79/655455879.db2.gz OXFGUCDXNWWRKF-ZDUSSCGKSA-N 1 0 383.279 3.487 20 0 GFADRO COc1cc(Br)ccc1[C@H](C)NC(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000577085733 655457439 /nfs/dbraw/zinc/45/74/39/655457439.db2.gz UJWIMQCVUPGMMV-YWPYICTPSA-N 1 0 382.302 2.912 20 0 GFADRO O=C(Nc1ccn(-c2ccc(Cl)cc2Cl)n1)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000577364138 655457669 /nfs/dbraw/zinc/45/76/69/655457669.db2.gz YRJJBRRMYNZRBR-NEPJUHHUSA-N 1 0 380.279 3.252 20 0 GFADRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)Nc1cc(Br)cnc1-n1cccn1 ZINC000577361642 655457701 /nfs/dbraw/zinc/45/77/01/655457701.db2.gz XNJDGBNUYZPFED-CYBMUJFWSA-N 1 0 393.289 2.588 20 0 GFADRO O=S(=O)(/C=C/c1ccccc1Cl)NCC1([NH+]2CCCC2)CCOCC1 ZINC000264164393 655458067 /nfs/dbraw/zinc/45/80/67/655458067.db2.gz GJVCFWCPUDYTEO-VGOFMYFVSA-N 1 0 384.929 2.875 20 0 GFADRO O=S(=O)(NCC1([NH+]2CCCC2)CCOCC1)c1cccc(Cl)c1Cl ZINC000264220305 655459024 /nfs/dbraw/zinc/45/90/24/655459024.db2.gz VNMGYEIVJOKSMI-UHFFFAOYSA-N 1 0 393.336 2.917 20 0 GFADRO Nc1nc(-n2cccn2)cc(N2CCC[C@H]2c2ccc(Br)cn2)[nH+]1 ZINC000577469281 655460238 /nfs/dbraw/zinc/46/02/38/655460238.db2.gz RTGKLZOJUZVIGT-ZDUSSCGKSA-N 1 0 386.257 2.744 20 0 GFADRO O=S(=O)(NCCC[NH2+]Cc1cccnc1)c1c(Cl)cc(F)cc1Cl ZINC000577496526 655461007 /nfs/dbraw/zinc/46/10/07/655461007.db2.gz KKVPMVJDZMULIC-UHFFFAOYSA-N 1 0 392.283 2.986 20 0 GFADRO CS(=O)(=O)c1cc(NC(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)ccc1Cl ZINC000577590658 655462778 /nfs/dbraw/zinc/46/27/78/655462778.db2.gz QOSOSNZDUHBUSL-QWHCGFSZSA-N 1 0 385.917 2.597 20 0 GFADRO NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)CSc1cc(Cl)ccc1Cl ZINC000264462069 655464378 /nfs/dbraw/zinc/46/43/78/655464378.db2.gz FBXMWQDKRDTUCB-CYBMUJFWSA-N 1 0 390.336 2.542 20 0 GFADRO OCc1cccc(C[NH2+]C[C@H](O)COc2cc(F)cc(Br)c2)c1 ZINC000577721951 655465652 /nfs/dbraw/zinc/46/56/52/655465652.db2.gz AHKIYUCGKVQTSV-INIZCTEOSA-N 1 0 384.245 2.610 20 0 GFADRO CSC1(CNC(=O)NCc2cc(Cl)cc3c2OCC3)CC[NH+](C)CC1 ZINC000577734469 655465977 /nfs/dbraw/zinc/46/59/77/655465977.db2.gz QQOGJYZLSFXWRG-UHFFFAOYSA-N 1 0 383.945 2.902 20 0 GFADRO COc1ccc(Br)c(C(=O)Nc2cnc3c(c2)C[C@H]([NH3+])CC3)c1 ZINC000577840894 655468135 /nfs/dbraw/zinc/46/81/35/655468135.db2.gz JOGOOFXKYJDICL-LLVKDONJSA-N 1 0 376.254 2.921 20 0 GFADRO CN1C(=O)NCC12CC[NH+](CCC(=O)Nc1cc(Cl)ccc1Cl)CC2 ZINC000577861252 655468669 /nfs/dbraw/zinc/46/86/69/655468669.db2.gz JWBVDKNCICPYQW-UHFFFAOYSA-N 1 0 385.295 2.812 20 0 GFADRO CN(CC1CC[NH+](C)CC1)S(=O)(=O)c1ccc(OCC(F)(F)F)cc1 ZINC000264754564 655469702 /nfs/dbraw/zinc/46/97/02/655469702.db2.gz NPWDLJCVCXGKBZ-UHFFFAOYSA-N 1 0 380.432 2.590 20 0 GFADRO CCOc1ccc(S(=O)(=O)NCCC[C@H]2CCC[NH2+]2)cc1Br ZINC000578012292 655471259 /nfs/dbraw/zinc/47/12/59/655471259.db2.gz APZPKDWPPFWOMP-GFCCVEGCSA-N 1 0 391.331 2.658 20 0 GFADRO C[C@@H]1CC[N@H+](CCNC(=O)c2cn(Cc3ccc(Cl)cc3Cl)nn2)C1 ZINC000578037894 655471682 /nfs/dbraw/zinc/47/16/82/655471682.db2.gz BNVMBHTZBXHIMS-GFCCVEGCSA-N 1 0 382.295 2.705 20 0 GFADRO CC[NH+](CC)CCCCNC(=O)C[C@](O)(c1nc(C)cs1)C(F)(F)F ZINC000264842048 655471827 /nfs/dbraw/zinc/47/18/27/655471827.db2.gz AUCQXXVWWVWSPF-HNNXBMFYSA-N 1 0 381.464 2.830 20 0 GFADRO CC(=O)[C@H](NC(=O)C[NH2+][C@@H](c1cncc(Br)c1)C1CC1)C(C)C ZINC000578212182 655474181 /nfs/dbraw/zinc/47/41/81/655474181.db2.gz ZEHLUXHPUOCBRO-IAGOWNOFSA-N 1 0 382.302 2.615 20 0 GFADRO C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)NCC1([NH+](C)C)CCOCC1 ZINC000264968367 655475126 /nfs/dbraw/zinc/47/51/26/655475126.db2.gz AGUARGIWKQJIEU-GFCCVEGCSA-N 1 0 375.296 2.988 20 0 GFADRO C[C@@H](NC(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1)c1ncc(Br)cn1 ZINC000578278941 655475648 /nfs/dbraw/zinc/47/56/48/655475648.db2.gz KFVISECHKREZSU-YPMHNXCESA-N 1 0 382.306 2.616 20 0 GFADRO O=S(=O)(Cc1cccc(C(F)(F)F)c1)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000578323016 655476719 /nfs/dbraw/zinc/47/67/19/655476719.db2.gz WZJFJOHGGVZFNI-LSDHHAIUSA-N 1 0 376.444 2.857 20 0 GFADRO C[NH2+][C@H](C)Cc1noc(C2(c3ccc(I)cc3)CC2)n1 ZINC000578322335 655476799 /nfs/dbraw/zinc/47/67/99/655476799.db2.gz SKTWIIOSRLAXRQ-SNVBAGLBSA-N 1 0 383.233 2.905 20 0 GFADRO O=C(Nc1cnn(-c2ncc(Cl)cc2Cl)c1)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000578422992 655478554 /nfs/dbraw/zinc/47/85/54/655478554.db2.gz TYOPYDXYTZDKLF-QWRGUYRKSA-N 1 0 381.267 2.647 20 0 GFADRO COc1cc(Br)c(C[NH2+][C@H]2CCO[C@H](c3nccn3C)C2)cc1O ZINC000578483647 655479970 /nfs/dbraw/zinc/47/99/70/655479970.db2.gz IDSARFGRTJQCEB-LRDDRELGSA-N 1 0 396.285 2.907 20 0 GFADRO O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)c1cc(F)ccc1Br ZINC000265478604 655484193 /nfs/dbraw/zinc/48/41/93/655484193.db2.gz CDJKACFMBBCYBM-LBPRGKRZSA-N 1 0 385.277 2.819 20 0 GFADRO COCC[N@H+](C)C[C@@H](O)CN1CCC[C@@H]1c1ccc(Br)c(C)c1 ZINC000578903501 655488922 /nfs/dbraw/zinc/48/89/22/655488922.db2.gz KKSUSERIJCBOBI-SJLPKXTDSA-N 1 0 385.346 2.834 20 0 GFADRO O=C(NC[C@@H]1CC1(Cl)Cl)NCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000840243067 661149317 /nfs/dbraw/zinc/14/93/17/661149317.db2.gz HWFXYMDGKFFTFP-HNNXBMFYSA-N 1 0 386.323 2.507 20 0 GFADRO O[C@H](C[NH2+]CCc1cn2ccccc2n1)COc1cccc(Br)c1 ZINC000579110666 655494185 /nfs/dbraw/zinc/49/41/85/655494185.db2.gz FDWGZWUUBQGFTF-MRXNPFEDSA-N 1 0 390.281 2.669 20 0 GFADRO C[C@@H]1C[C@H](N(C)C(=O)c2cc(F)ccc2I)CC[N@@H+]1C ZINC000265997430 655494711 /nfs/dbraw/zinc/49/47/11/655494711.db2.gz OBOTXKLNJKOXSQ-ZYHUDNBSSA-N 1 0 390.240 2.985 20 0 GFADRO O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1c[nH]c(=O)c(Br)c1 ZINC000266011592 655495031 /nfs/dbraw/zinc/49/50/31/655495031.db2.gz HWUQNIIWFOUOAE-CQSZACIVSA-N 1 0 376.254 2.554 20 0 GFADRO COCCC1(C[NH2+]C[C@H](O)COc2cc(F)cc(Br)c2)CC1 ZINC000579228669 655496106 /nfs/dbraw/zinc/49/61/06/655496106.db2.gz XDTCMCHMNWUBPE-AWEZNQCLSA-N 1 0 376.266 2.734 20 0 GFADRO C[C@H](NC(=O)NCC[NH+]1[C@H](C)CCC[C@H]1C)c1ncc(Br)cn1 ZINC000579579030 655501618 /nfs/dbraw/zinc/50/16/18/655501618.db2.gz VPOKFCXJNCTABF-UPJWGTAASA-N 1 0 384.322 2.862 20 0 GFADRO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]C[C@@H]1CC(=O)N(C2CC2)C1 ZINC000579722335 655503107 /nfs/dbraw/zinc/50/31/07/655503107.db2.gz INQGBDIHRMMUQD-OLZOCXBDSA-N 1 0 394.313 2.767 20 0 GFADRO O=C(N[C@@H]1C[C@H]1c1ccc(Br)cc1)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000579935503 655505838 /nfs/dbraw/zinc/50/58/38/655505838.db2.gz YMRRURAVCZIIMW-MWDXBVQZSA-N 1 0 378.314 2.992 20 0 GFADRO CC[C@@H]([NH3+])CNC(=O)c1ccc(NC(=O)c2ccc(Br)o2)cc1 ZINC000579950555 655506040 /nfs/dbraw/zinc/50/60/40/655506040.db2.gz HVFUYFLXMHXUHZ-LLVKDONJSA-N 1 0 380.242 2.762 20 0 GFADRO Cc1cc(Br)cn2cc(CC[NH2+]C[C@H](O)CC(F)(F)F)nc12 ZINC000580065523 655507715 /nfs/dbraw/zinc/50/77/15/655507715.db2.gz ANKOAPMKQDVQKI-GFCCVEGCSA-N 1 0 380.208 2.851 20 0 GFADRO O=C([C@@H]1[NH2+]CCc2ccccc21)N1CCC(n2cc(Br)cn2)CC1 ZINC000580076064 655508050 /nfs/dbraw/zinc/50/80/50/655508050.db2.gz PRSODXUOUNOOQR-QGZVFWFLSA-N 1 0 389.297 2.696 20 0 GFADRO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(CC(=O)Nc2ccccc2Br)CC1 ZINC000580174628 655509311 /nfs/dbraw/zinc/50/93/11/655509311.db2.gz CHEGIKVNZCYPQD-CRAIPNDOSA-N 1 0 396.329 2.606 20 0 GFADRO CC[NH+](CC)CCN(Cc1ccc(Cl)cc1)C(=O)N[C@@H](C)C[S@](C)=O ZINC000596554672 655516712 /nfs/dbraw/zinc/51/67/12/655516712.db2.gz GITOZELGVVWQJD-MQNRADLISA-N 1 0 387.977 2.960 20 0 GFADRO CN(CCOCC[NH2+]Cc1ccc(Br)cn1)C(=O)OC(C)(C)C ZINC000705945752 655522125 /nfs/dbraw/zinc/52/21/25/655522125.db2.gz YJCXCOYJRBRRJT-UHFFFAOYSA-N 1 0 388.306 2.817 20 0 GFADRO COc1cc(Br)ccc1NC(=O)[C@@H](N)C[N@H+](C)Cc1ccccc1 ZINC000712321621 655522620 /nfs/dbraw/zinc/52/26/20/655522620.db2.gz VZOVDJWDRCCIKK-HNNXBMFYSA-N 1 0 392.297 2.856 20 0 GFADRO Cn1cc(C[NH2+][C@@H]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)c(Br)n1 ZINC000712470645 655522648 /nfs/dbraw/zinc/52/26/48/655522648.db2.gz NIPNVIYQGNWABJ-DGCLKSJQSA-N 1 0 387.322 2.966 20 0 GFADRO O=C(Nc1ccccc1Br)C1CC[NH+](CCN2CCOC2=O)CC1 ZINC000726184142 655531807 /nfs/dbraw/zinc/53/18/07/655531807.db2.gz KVZUNZKXEDYMOE-UHFFFAOYSA-N 1 0 396.285 2.552 20 0 GFADRO C[N@@H+]1CCC[C@H]1CNC(=O)N1CCO[C@@H](c2ccccc2Br)C1 ZINC000726245119 655532451 /nfs/dbraw/zinc/53/24/51/655532451.db2.gz YCPBYEKNPJPKCQ-XJKSGUPXSA-N 1 0 382.302 2.626 20 0 GFADRO CCN1CC[NH+](C[C@@H](C)CNC(=S)Nc2ccc(OC)c(Cl)c2)CC1 ZINC000726903934 655539674 /nfs/dbraw/zinc/53/96/74/655539674.db2.gz RJFNPLVKBKPDNS-AWEZNQCLSA-N 1 0 384.977 2.909 20 0 GFADRO Cc1cc[n+](C(C(=O)c2cc(Cl)ccc2Cl)C(=S)NCC(N)=O)cc1 ZINC000727161075 655542311 /nfs/dbraw/zinc/54/23/11/655542311.db2.gz IOXHQQMUSKQENA-UHFFFAOYSA-O 1 0 397.307 2.875 20 0 GFADRO CC/C=C(/C)C(=O)N1CSC[C@@H]1C(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000728021656 655551655 /nfs/dbraw/zinc/55/16/55/655551655.db2.gz IZJFCZVTRKUISS-JYTDYBOUSA-N 1 0 381.567 2.725 20 0 GFADRO O=C(C[N@@H+]1CCC[C@H](C2OCCO2)C1)NCCc1cccc(Cl)c1Cl ZINC000728053832 655552117 /nfs/dbraw/zinc/55/21/17/655552117.db2.gz TZJIDGGHRSUNJQ-AWEZNQCLSA-N 1 0 387.307 2.737 20 0 GFADRO COC(=O)CCSCc1cccc(NC(=S)NC2CC[NH+](C)CC2)c1 ZINC000728790195 655558915 /nfs/dbraw/zinc/55/89/15/655558915.db2.gz PUCBUHGZTMEARS-UHFFFAOYSA-N 1 0 381.567 2.864 20 0 GFADRO COc1ccc(OC)c([C@@H](O)C[NH2+]C[C@@H](O)c2ccc(Br)cc2)c1 ZINC000728942535 655560417 /nfs/dbraw/zinc/56/04/17/655560417.db2.gz MRTRHRZRWXMOSX-SJORKVTESA-N 1 0 396.281 2.823 20 0 GFADRO COc1cc(C[NH2+]C[C@@H](O)c2ccc(Br)cc2)ccc1OCCO ZINC000728942946 655560455 /nfs/dbraw/zinc/56/04/55/655560455.db2.gz SSKYMPGHBJBFIR-MRXNPFEDSA-N 1 0 396.281 2.652 20 0 GFADRO C[NH+](C)CC(C)(C)CNC(=S)NC[C@H](O)c1cccc(C(F)(F)F)c1 ZINC000730735581 655577653 /nfs/dbraw/zinc/57/76/53/655577653.db2.gz SIFJSKDDDWSSAA-AWEZNQCLSA-N 1 0 377.476 2.791 20 0 GFADRO C[C@H](CNC(=O)c1cnn(-c2ncccc2Cl)c1C(F)(F)Cl)[NH+](C)C ZINC000731000167 655580451 /nfs/dbraw/zinc/58/04/51/655580451.db2.gz KRJXWPCDRJBOQJ-SECBINFHSA-N 1 0 392.237 2.889 20 0 GFADRO Cc1cnc(NC(=O)[C@H]2CSCN2C(=O)CCCC[NH+]2CCCC2)s1 ZINC000732069680 655591541 /nfs/dbraw/zinc/59/15/41/655591541.db2.gz PFMWTFQZVQEFEU-CQSZACIVSA-N 1 0 382.555 2.558 20 0 GFADRO Cc1cnc(NC(=O)[C@@H]2CSCN2C(=O)CCCC[NH+]2CCCC2)s1 ZINC000732069679 655591562 /nfs/dbraw/zinc/59/15/62/655591562.db2.gz PFMWTFQZVQEFEU-AWEZNQCLSA-N 1 0 382.555 2.558 20 0 GFADRO O=S(=O)(NCCCCC[NH+]1CCCCC1)c1c(Cl)nc2ccccn21 ZINC000732225205 655593503 /nfs/dbraw/zinc/59/35/03/655593503.db2.gz FTOWZGVYJQTBIO-UHFFFAOYSA-N 1 0 384.933 2.922 20 0 GFADRO COc1ccc(C[NH2+]CC2CCN(S(=O)(=O)C(F)F)CC2)c(Cl)c1 ZINC000732985640 655605741 /nfs/dbraw/zinc/60/57/41/655605741.db2.gz LCGMBQQPHMCWNQ-UHFFFAOYSA-N 1 0 382.860 2.703 20 0 GFADRO COC(=O)/C=C1\SCC(=O)N1CCC[N@H+](C)CCc1ccc(Cl)cc1 ZINC000733313433 655611748 /nfs/dbraw/zinc/61/17/48/655611748.db2.gz SERTZSZLJWLFEQ-ATVHPVEESA-N 1 0 382.913 2.794 20 0 GFADRO O=S(=O)(/C=C/c1ccc(Cl)cc1)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000734243385 655628519 /nfs/dbraw/zinc/62/85/19/655628519.db2.gz FTZOGOPVCRBRGZ-FUNAXGEOSA-N 1 0 384.929 2.874 20 0 GFADRO CC(C)[NH+]1CCC(NC(=O)COC(=O)c2cccc(Br)c2)CC1 ZINC000735962932 655656236 /nfs/dbraw/zinc/65/62/36/655656236.db2.gz UWBAISZQUAHKEH-UHFFFAOYSA-N 1 0 383.286 2.595 20 0 GFADRO C[C@@H]1C[C@H](N(C)C(=S)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)CC[N@@H+]1C ZINC000736229426 655660404 /nfs/dbraw/zinc/66/04/04/655660404.db2.gz QKNSJLUTEROFJY-ZYHUDNBSSA-N 1 0 379.921 2.631 20 0 GFADRO CC[C@H](C[NH+]1CCCC1)NC(=O)COc1ccc(C=O)cc1Br ZINC000742680843 655720180 /nfs/dbraw/zinc/72/01/80/655720180.db2.gz BGVFCYFUSSCPNZ-CQSZACIVSA-N 1 0 383.286 2.631 20 0 GFADRO COc1ccc(Cl)c(NC(=S)NC[C@@H](C(C)C)[NH+]2CCN(C)CC2)c1 ZINC000742982555 655723975 /nfs/dbraw/zinc/72/39/75/655723975.db2.gz NUQHXMYFLKJCDL-KRWDZBQOSA-N 1 0 384.977 2.907 20 0 GFADRO CCN1CC[NH+](C[C@H](C)CNC(=S)Nc2cc(OC)ccc2Cl)CC1 ZINC000742991870 655724178 /nfs/dbraw/zinc/72/41/78/655724178.db2.gz GGCIFYRIQOPUPG-CQSZACIVSA-N 1 0 384.977 2.909 20 0 GFADRO C[C@@H](c1ccc(Br)cc1)N1CCN(C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000743273418 655727639 /nfs/dbraw/zinc/72/76/39/655727639.db2.gz UNZGJFZVMQYVGT-QFBILLFUSA-N 1 0 396.373 2.584 20 0 GFADRO CC[NH+](CC)C[C@@H]1CCN(CN2c3cc(Br)ccc3C(=O)C2=O)C1 ZINC000743388883 655728625 /nfs/dbraw/zinc/72/86/25/655728625.db2.gz SPDCVWNMSUUWLF-ZDUSSCGKSA-N 1 0 394.313 2.600 20 0 GFADRO CC[C@](C)([NH2+]CCCN1C(=O)CS/C1=C\C(=O)OC)c1nc(C)cs1 ZINC000744424231 655740075 /nfs/dbraw/zinc/74/00/75/655740075.db2.gz IZHYSBJBARIIEB-DZXKJOIRSA-N 1 0 383.539 2.646 20 0 GFADRO C[N@H+](CC1CC1)C[C@H]1CCN(S(=O)(=O)c2ccc(Cl)nc2Cl)C1 ZINC000746052957 655757964 /nfs/dbraw/zinc/75/79/64/655757964.db2.gz ANFLZGWKNXPNLI-GFCCVEGCSA-N 1 0 378.325 2.741 20 0 GFADRO OCCCC[NH+]1CCN(Cc2coc(-c3ccc(Br)cc3)n2)CC1 ZINC000746488939 655762319 /nfs/dbraw/zinc/76/23/19/655762319.db2.gz QLUFZAJNRRFWNM-UHFFFAOYSA-N 1 0 394.313 2.994 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2C(=S)NCCSc1ccccc1 ZINC000746552358 655763820 /nfs/dbraw/zinc/76/38/20/655763820.db2.gz SMGLIJZCDZIOGN-BPQIPLTHSA-N 1 0 379.595 2.837 20 0 GFADRO CC[NH+]1CCC(n2nccc2NC(=O)c2ccc(Br)nc2)CC1 ZINC000746597720 655764563 /nfs/dbraw/zinc/76/45/63/655764563.db2.gz BVPUPRZGHYYTBM-UHFFFAOYSA-N 1 0 378.274 2.950 20 0 GFADRO CC[NH+](CC)CCO[C@@H]1CCN(S(=O)(=O)c2cnc(Cl)c(Cl)c2)C1 ZINC000747286072 655776378 /nfs/dbraw/zinc/77/63/78/655776378.db2.gz PAELDBZVHGBEOC-GFCCVEGCSA-N 1 0 396.340 2.510 20 0 GFADRO Cn1cc(C[C@H]2CC[N@H+](Cn3c(=O)oc4cc(Br)ccc43)C2)cn1 ZINC000747459905 655779358 /nfs/dbraw/zinc/77/93/58/655779358.db2.gz HYRBRCXCIOBLPA-GFCCVEGCSA-N 1 0 391.269 2.613 20 0 GFADRO OCCC[N@@H+]1CCC[C@H]1CNC(=S)NCc1cccc(C(F)(F)F)c1 ZINC000840779633 661186876 /nfs/dbraw/zinc/18/68/76/661186876.db2.gz NLJKQOMXFGVAGU-HNNXBMFYSA-N 1 0 375.460 2.516 20 0 GFADRO CCc1c(Cl)nc(CS(C)(=O)=O)nc1NCC[N@H+]1CCCC[C@H]1CC ZINC000749097550 655800134 /nfs/dbraw/zinc/80/01/34/655800134.db2.gz LMWNVGFZXIOKQZ-CYBMUJFWSA-N 1 0 388.965 2.913 20 0 GFADRO O[C@H](CN1CCc2[nH]c3c(cccc3Br)c2C1)C[NH+]1CCCC1 ZINC000749284118 655802518 /nfs/dbraw/zinc/80/25/18/655802518.db2.gz NVQUCKTVVLRIRK-ZDUSSCGKSA-N 1 0 378.314 2.745 20 0 GFADRO C[NH+](C)[C@H]1CCC[C@@H](NS(=O)(=O)Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000749300415 655802907 /nfs/dbraw/zinc/80/29/07/655802907.db2.gz IXGGLQBGBKKELX-KGLIPLIRSA-N 1 0 380.432 2.877 20 0 GFADRO C[N@H+](C[C@H](O)COCc1ccccc1Cl)[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000749351754 655803487 /nfs/dbraw/zinc/80/34/87/655803487.db2.gz NBDWOPQNMVRABO-SZMVWBNQSA-N 1 0 389.945 2.505 20 0 GFADRO C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)Nc2cccc(C3SCCS3)c2)C1 ZINC000749692916 655806492 /nfs/dbraw/zinc/80/64/92/655806492.db2.gz PYWWWICXQPJJNQ-OAHLLOKOSA-N 1 0 379.551 2.656 20 0 GFADRO CC[NH+](CC)C[C@H](C)NC(=O)/C=C/c1ccc(I)o1 ZINC000749978137 655810133 /nfs/dbraw/zinc/81/01/33/655810133.db2.gz UTXMUZGGJPVVLI-DJYGCBNOSA-N 1 0 376.238 2.744 20 0 GFADRO COC(=O)[C@H](c1ccc(Cl)cc1Cl)N1CC[NH+](CCCCO)CC1 ZINC000750053124 655810799 /nfs/dbraw/zinc/81/07/99/655810799.db2.gz LMQYUXOMMOVDSL-INIZCTEOSA-N 1 0 375.296 2.598 20 0 GFADRO C[C@@H]([NH2+]CC(C)(C)[C@H]1COCC12OCCO2)c1ncc(Br)s1 ZINC000840799735 661189214 /nfs/dbraw/zinc/18/92/14/661189214.db2.gz WFJVBNQMZVXMJK-GHMZBOCLSA-N 1 0 391.331 2.972 20 0 GFADRO COC1CC[NH+](CCNC(=O)c2cc3c(cccc3Br)[nH]2)CC1 ZINC000750860641 655818160 /nfs/dbraw/zinc/81/81/60/655818160.db2.gz FRZQCBYKOOBJNU-UHFFFAOYSA-N 1 0 380.286 2.771 20 0 GFADRO CCOCCNC(=S)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000751003811 655820187 /nfs/dbraw/zinc/82/01/87/655820187.db2.gz FTECMTMIMJDWHT-UHFFFAOYSA-N 1 0 388.375 2.724 20 0 GFADRO C[C@@H](NC(=S)NC1CC[NH+](C)CC1)[C@@H](O)c1c(Cl)cccc1Cl ZINC000751898009 655835815 /nfs/dbraw/zinc/83/58/15/655835815.db2.gz HPKJMEGAWYJSRX-MEBBXXQBSA-N 1 0 376.353 2.974 20 0 GFADRO C[C@@H]1CC[N@H+](CN2C(=O)N[C@@](C)(c3ccccc3Br)C2=O)[C@H]1C ZINC000751939098 655836412 /nfs/dbraw/zinc/83/64/12/655836412.db2.gz CWHAJUTXUOSFPX-PEBVRCNWSA-N 1 0 380.286 2.904 20 0 GFADRO C[NH+]1CCC(CNC(=S)N2CCC(Oc3ccc(Cl)cn3)CC2)CC1 ZINC000840850767 661195228 /nfs/dbraw/zinc/19/52/28/661195228.db2.gz XWQWPLFYJDMAGQ-UHFFFAOYSA-N 1 0 382.961 2.795 20 0 GFADRO CCO[C@H](CC[NH+](C)C)CNC(=S)NCc1ccc(Br)cc1 ZINC000753965624 655861381 /nfs/dbraw/zinc/86/13/81/655861381.db2.gz PHMAEZKBDJBSMO-OAHLLOKOSA-N 1 0 388.375 2.770 20 0 GFADRO COc1ccc2nc(Cl)ccc2c1S(=O)(=O)N(C)CCCC[NH+](C)C ZINC000754320856 655866364 /nfs/dbraw/zinc/86/63/64/655866364.db2.gz GEMHGGHRHMVZBC-UHFFFAOYSA-N 1 0 385.917 2.859 20 0 GFADRO C[NH+](C)CCCCCOC(=O)c1cc(S(=O)(=O)N2CCC2)ccc1Cl ZINC000754681421 655871270 /nfs/dbraw/zinc/87/12/70/655871270.db2.gz LZQFXBGDBNNHBT-UHFFFAOYSA-N 1 0 388.917 2.623 20 0 GFADRO C[C@@H]([NH2+]CCOc1ccc(S(N)(=O)=O)cc1)c1nc2ccccc2s1 ZINC000754697298 655871693 /nfs/dbraw/zinc/87/16/93/655871693.db2.gz AHOPDTAROBYBMR-GFCCVEGCSA-N 1 0 377.491 2.673 20 0 GFADRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)c2ccc(C)nc2Br)C1 ZINC000755945363 655891708 /nfs/dbraw/zinc/89/17/08/655891708.db2.gz ITGWKBCMAYENIL-AWEZNQCLSA-N 1 0 384.318 2.725 20 0 GFADRO C[NH+]1CCC2(CCN2C(=O)c2cn(-c3ccc(Br)cc3)cn2)CC1 ZINC000756777734 655905124 /nfs/dbraw/zinc/90/51/24/655905124.db2.gz FZQAZKNSVRFFRA-UHFFFAOYSA-N 1 0 389.297 2.945 20 0 GFADRO COC(=O)N1CCC([NH2+]CCOc2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000756898104 655906657 /nfs/dbraw/zinc/90/66/57/655906657.db2.gz JGRYXHSRXZHAEO-UHFFFAOYSA-N 1 0 381.782 2.953 20 0 GFADRO COc1cc([C@H](C)[NH2+][C@@H]2CCC[C@H](CO)C2)ccc1S(=O)(=O)C(F)F ZINC000840895052 661201898 /nfs/dbraw/zinc/20/18/98/661201898.db2.gz HFOGVPZGGIAUMR-SGMGOOAPSA-N 1 0 377.453 2.893 20 0 GFADRO CC(C)[C@@H](C[NH2+]Cc1ccc(S(C)(=O)=O)s1)NC(=O)OC(C)(C)C ZINC000840896554 661203058 /nfs/dbraw/zinc/20/30/58/661203058.db2.gz FDOSBMZEVVWTEG-CYBMUJFWSA-N 1 0 376.544 2.791 20 0 GFADRO CC[NH+](CC)CCC[C@H](C)NC(=O)c1cccnc1I ZINC000757873576 655917828 /nfs/dbraw/zinc/91/78/28/655917828.db2.gz BGRQCYNZULYPHL-LBPRGKRZSA-N 1 0 389.281 2.927 20 0 GFADRO CC(C)[NH+]1CCN(C2CCN(C(=S)NCCc3cccs3)CC2)CC1 ZINC000760232186 655973327 /nfs/dbraw/zinc/97/33/27/655973327.db2.gz NSOMILTUYQEHIO-UHFFFAOYSA-N 1 0 380.627 2.656 20 0 GFADRO C[NH+]1CCC(CNC(=S)NNc2ccc(F)cc2Br)CC1 ZINC000760467394 655981783 /nfs/dbraw/zinc/98/17/83/655981783.db2.gz FOZJXUJSGLAMBD-UHFFFAOYSA-N 1 0 375.311 2.721 20 0 GFADRO CC(C)S(=O)(=O)CC[NH2+][C@]1(CNC(=O)OC(C)(C)C)CCCC[C@H]1C ZINC000760858017 655993788 /nfs/dbraw/zinc/99/37/88/655993788.db2.gz VIYXKSTWHNVMJQ-QAPCUYQASA-N 1 0 376.563 2.873 20 0 GFADRO Brc1cc2c(cc1C[NH2+][C@H]1CCCC[C@H]1N1CCOCC1)OCO2 ZINC000760919799 655994746 /nfs/dbraw/zinc/99/47/46/655994746.db2.gz KQFKELJGZYAXAD-JKSUJKDBSA-N 1 0 397.313 2.911 20 0 GFADRO O=C1N[C@]2(CCSC2)C(=O)N1C[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000760945314 655995094 /nfs/dbraw/zinc/99/50/94/655995094.db2.gz XIDLGPBLWROIEY-QAPCUYQASA-N 1 0 379.913 2.904 20 0 GFADRO C[C@H]1CCC[N@H+](CCN2C(=O)N[C@@](C)(c3cccc(Br)c3)C2=O)C1 ZINC000761021770 655996858 /nfs/dbraw/zinc/99/68/58/655996858.db2.gz ZXCYMJRUZGVCDD-UGSOOPFHSA-N 1 0 394.313 2.948 20 0 GFADRO COc1ccc([C@@H]2NC(=O)N([C@@H]3CC[N@H+](C)[C@@H](C)C3)C2=O)cc1Br ZINC000761280638 656007345 /nfs/dbraw/zinc/00/73/45/656007345.db2.gz MYIBRMVYQDBVHZ-NVBFEUDRSA-N 1 0 396.285 2.533 20 0 GFADRO C[C@H]1C[C@@H](N2C(=O)CN(Cc3cccc(Br)c3)C2=O)CC[N@@H+]1C ZINC000761283248 656007566 /nfs/dbraw/zinc/00/75/66/656007566.db2.gz RVLVELFRKICJPH-WFASDCNBSA-N 1 0 380.286 2.696 20 0 GFADRO C[C@@H]1CCC[N@@H+]1CCNC(=O)c1cc(F)c(F)cc1I ZINC000761644620 656019343 /nfs/dbraw/zinc/01/93/43/656019343.db2.gz ARBYNGHXBFKUIH-SECBINFHSA-N 1 0 394.203 2.784 20 0 GFADRO Cc1[nH]nc(-c2nc(-c3ccnc(OCC[NH+](C)C)c3)no2)c1Br ZINC000762309176 656038492 /nfs/dbraw/zinc/03/84/92/656038492.db2.gz RIBONIABUWBKEH-UHFFFAOYSA-N 1 0 393.245 2.533 20 0 GFADRO C[C@@H]([NH2+]CCC1CCS(=O)(=O)CC1)c1cc(Br)ncc1F ZINC000762771492 656058302 /nfs/dbraw/zinc/05/83/02/656058302.db2.gz NPMJYBUCHHLPDS-SNVBAGLBSA-N 1 0 379.295 2.849 20 0 GFADRO CC(C)[C@H](C[NH+](C)C)NC(=O)c1ccc(F)c(I)c1 ZINC000763386432 656081953 /nfs/dbraw/zinc/08/19/53/656081953.db2.gz LFWGNSIQPOCVKS-ZDUSSCGKSA-N 1 0 378.229 2.746 20 0 GFADRO Cn1nc(Br)cc1C[NH2+][C@@H](c1ccccc1)C1(CO)CCOCC1 ZINC000840971767 661221920 /nfs/dbraw/zinc/22/19/20/661221920.db2.gz BUVSIXCPWBDZTR-KRWDZBQOSA-N 1 0 394.313 2.803 20 0 GFADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)N1CCc2cc(Br)cc(F)c21 ZINC000764351770 656108990 /nfs/dbraw/zinc/10/89/90/656108990.db2.gz BWMTZOAIYMWLBC-UONOGXRCSA-N 1 0 398.276 2.524 20 0 GFADRO CC(C)[C@@H](C[NH+](C)C)NC(=O)c1ccnc(Cl)c1I ZINC000764364397 656109335 /nfs/dbraw/zinc/10/93/35/656109335.db2.gz XPORXYACPPPSQL-SNVBAGLBSA-N 1 0 395.672 2.656 20 0 GFADRO CSc1nc2ccc(NC(=O)N3CC[C@@H](N4CC[NH2+]CC4)C3)cc2s1 ZINC000841010929 661226205 /nfs/dbraw/zinc/22/62/05/661226205.db2.gz WHSFRCQHMJBQFN-CYBMUJFWSA-N 1 0 377.539 2.530 20 0 GFADRO O=C(Nc1cc2c(cc1Br)OCCO2)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000841013896 661226372 /nfs/dbraw/zinc/22/63/72/661226372.db2.gz AKZCSHACOPXDRF-GRYCIOLGSA-N 1 0 396.285 2.730 20 0 GFADRO COC(=O)N1CCC[C@H]([NH2+][C@@H](C)CC(=O)Nc2ccc(Br)cc2)C1 ZINC000765633851 656146452 /nfs/dbraw/zinc/14/64/52/656146452.db2.gz LEKQWLUNDUYOLT-WFASDCNBSA-N 1 0 398.301 2.987 20 0 GFADRO C[NH+](C)CCN1CCC(NC(=O)N2Cc3ccc(Br)cc3C2)CC1 ZINC000765874742 656154148 /nfs/dbraw/zinc/15/41/48/656154148.db2.gz FXHNHFAXWMOIFC-UHFFFAOYSA-N 1 0 395.345 2.500 20 0 GFADRO C[C@@H]([NH2+]CCCOC[C@H]1CCOC1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000766122056 656162368 /nfs/dbraw/zinc/16/23/68/656162368.db2.gz JSBYDAXYJYKHOM-ZIAGYGMSSA-N 1 0 377.453 2.777 20 0 GFADRO Cn1nc(C(F)(F)F)c(CN2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)c1Cl ZINC000841103324 661232807 /nfs/dbraw/zinc/23/28/07/661232807.db2.gz GPPIBFMMOHBQLE-AAEUAGOBSA-N 1 0 380.842 2.811 20 0 GFADRO COC(=O)c1cc(NC(=O)N(C)C2CCC([NH3+])CC2)ccc1Br ZINC000841175662 661241389 /nfs/dbraw/zinc/24/13/89/661241389.db2.gz WPEHAMMAKBHGGP-UHFFFAOYSA-N 1 0 384.274 2.969 20 0 GFADRO O=C(NCC1(C[NH+]2CCOCC2)CCCCC1)c1cccc(Br)n1 ZINC000767173882 656195669 /nfs/dbraw/zinc/19/56/69/656195669.db2.gz SSUHMGGRQZNBMR-UHFFFAOYSA-N 1 0 396.329 2.857 20 0 GFADRO O=C(CC[N@H+]1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1)C1CC1 ZINC000767424235 656202514 /nfs/dbraw/zinc/20/25/14/656202514.db2.gz WVIOJRSTAMWURM-CYBMUJFWSA-N 1 0 380.286 2.864 20 0 GFADRO C[NH2+]C[C@@H]1CCCN1C(=O)Nc1cnc(Br)c(Br)c1 ZINC000841141734 661237046 /nfs/dbraw/zinc/23/70/46/661237046.db2.gz JCLUFKFJLJVJHC-VIFPVBQESA-N 1 0 392.095 2.822 20 0 GFADRO COc1cc(S(=O)(=O)NCCCC[NH+]2C[C@@H](C)C[C@H](C)C2)cnc1Cl ZINC000767703316 656215576 /nfs/dbraw/zinc/21/55/76/656215576.db2.gz BQJCOXLCTKQMQC-KBPBESRZSA-N 1 0 389.949 2.780 20 0 GFADRO CCc1nn(C)c(Cl)c1C[NH2+]C[C@H](CO)Cc1cc(F)c(F)c(F)c1 ZINC000767712982 656216256 /nfs/dbraw/zinc/21/62/56/656216256.db2.gz URNFCXCISGWTST-LLVKDONJSA-N 1 0 375.822 2.994 20 0 GFADRO CCc1nn(C)c(Cl)c1C[NH2+]C[C@@H](CO)Cc1cc(F)c(F)c(F)c1 ZINC000767712984 656216345 /nfs/dbraw/zinc/21/63/45/656216345.db2.gz URNFCXCISGWTST-NSHDSACASA-N 1 0 375.822 2.994 20 0 GFADRO COc1cc(S(=O)(=O)N[C@H](C)C[N@H+](C)Cc2ccccc2)cnc1Cl ZINC000767845273 656223365 /nfs/dbraw/zinc/22/33/65/656223365.db2.gz SXYKULGJXYWIJI-CYBMUJFWSA-N 1 0 383.901 2.542 20 0 GFADRO Cc1nc(Br)sc1C(=O)Nc1ccnc(OCC[NH+](C)C)c1 ZINC000841163627 661240725 /nfs/dbraw/zinc/24/07/25/661240725.db2.gz JJMLJVQMYHRGFR-UHFFFAOYSA-N 1 0 385.287 2.802 20 0 GFADRO C[C@@H]([NH3+])C1CCN(C(=O)C(=O)Nc2ccccc2SC(F)(F)F)CC1 ZINC000841169907 661241205 /nfs/dbraw/zinc/24/12/05/661241205.db2.gz WFDHZVNVMRKLOY-SNVBAGLBSA-N 1 0 375.416 2.823 20 0 GFADRO C[C@@H](C[NH3+])CNC(=O)C(=O)Nc1ccccc1SC[C@@H]1CC1(Cl)Cl ZINC000841196433 661243410 /nfs/dbraw/zinc/24/34/10/661243410.db2.gz JJNVUEAOHRFNED-QWRGUYRKSA-N 1 0 390.336 2.622 20 0 GFADRO O=C(Nc1cccc(Cl)c1SC(F)F)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000841220644 661245264 /nfs/dbraw/zinc/24/52/64/661245264.db2.gz RDXRSSDEPLOIRU-SECBINFHSA-N 1 0 377.844 2.852 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)c1nccn2c(Br)cnc12)c1ccccc1 ZINC000769610057 656282031 /nfs/dbraw/zinc/28/20/31/656282031.db2.gz NMMUQKJAAKOZGM-CYBMUJFWSA-N 1 0 388.269 2.525 20 0 GFADRO CC[NH+](CC)[C@H](CNC(=O)c1nccn2c(Br)cnc12)CC(C)C ZINC000769842935 656294619 /nfs/dbraw/zinc/29/46/19/656294619.db2.gz SBSIEWFXCWOJID-ZDUSSCGKSA-N 1 0 396.333 2.978 20 0 GFADRO O=S(=O)(Cc1cc(Cl)ccc1F)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000769900321 656299014 /nfs/dbraw/zinc/29/90/14/656299014.db2.gz PRHZKRAVGSAJFL-MRXNPFEDSA-N 1 0 390.908 2.542 20 0 GFADRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)Nc1cc(C(F)(F)F)cc(Br)n1 ZINC000841242572 661248175 /nfs/dbraw/zinc/24/81/75/661248175.db2.gz YLSVADLLEAKKRM-IONNQARKSA-N 1 0 381.196 2.982 20 0 GFADRO Ic1ccccc1C[NH+]1CCC(Cn2ccnn2)CC1 ZINC000770384339 656317930 /nfs/dbraw/zinc/31/79/30/656317930.db2.gz QYKBHMDSOYOPBA-UHFFFAOYSA-N 1 0 382.249 2.795 20 0 GFADRO CCCC[NH+]1CCC(NC(=O)c2cccnc2I)CC1 ZINC000770488144 656320729 /nfs/dbraw/zinc/32/07/29/656320729.db2.gz HWSNZFWRBWMUAK-UHFFFAOYSA-N 1 0 387.265 2.681 20 0 GFADRO C[C@@H](CNC(=O)c1cccnc1I)C[NH+]1CCCCC1 ZINC000770487759 656320773 /nfs/dbraw/zinc/32/07/73/656320773.db2.gz XTEKGVXIOQBUGT-LBPRGKRZSA-N 1 0 387.265 2.538 20 0 GFADRO [NH3+]CC[C@@H](NC(=O)C(=O)Nc1ccccc1SC(F)(F)F)C(F)(F)F ZINC000841261422 661250270 /nfs/dbraw/zinc/25/02/70/661250270.db2.gz HNYQEVAVUFZKOI-SECBINFHSA-N 1 0 389.321 2.633 20 0 GFADRO O=C(Nc1ccc2cc(Br)ccc2c1)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000841296059 661251684 /nfs/dbraw/zinc/25/16/84/661251684.db2.gz VIWJWUZJXZIROR-MRXNPFEDSA-N 1 0 390.281 2.799 20 0 GFADRO [NH3+]CC[C@H](NC(=O)N1CCC(Oc2ccc(Cl)cn2)CC1)C(F)(F)F ZINC000841335800 661252811 /nfs/dbraw/zinc/25/28/11/661252811.db2.gz VEHQOTIYXUTLKD-LBPRGKRZSA-N 1 0 380.798 2.568 20 0 GFADRO C[C@@H](CNC(=O)Cc1ccccc1I)[NH+]1CCCCC1 ZINC000771295274 656345154 /nfs/dbraw/zinc/34/51/54/656345154.db2.gz XJJLUFSAODFXEA-ZDUSSCGKSA-N 1 0 386.277 2.824 20 0 GFADRO OCC[C@H]([NH2+]C[C@H](O)COc1ccc(Cl)cc1Br)C1CC1 ZINC000771805227 656362791 /nfs/dbraw/zinc/36/27/91/656362791.db2.gz YNQMPOTUUNAGHG-JSGCOSHPSA-N 1 0 378.694 2.593 20 0 GFADRO C[C@@H]1CCC[N@@H+]1CCNC(=O)c1cc(I)c(F)cc1F ZINC000772101813 656372431 /nfs/dbraw/zinc/37/24/31/656372431.db2.gz PISNICBCOXBFQL-SECBINFHSA-N 1 0 394.203 2.784 20 0 GFADRO C[NH+](C)C[C@@H]1CCCN1C(=O)c1cc(=O)c2cc(Br)ccc2o1 ZINC000841388624 661258123 /nfs/dbraw/zinc/25/81/23/661258123.db2.gz SNKGEFFOPBMIPJ-LBPRGKRZSA-N 1 0 379.254 2.722 20 0 GFADRO C[NH+](C)CC1CCN(C(=O)c2cc(=O)c3cc(Br)ccc3o2)CC1 ZINC000841392920 661258957 /nfs/dbraw/zinc/25/89/57/661258957.db2.gz FBFJLWYDNHZWMO-UHFFFAOYSA-N 1 0 393.281 2.969 20 0 GFADRO C[C@H](NC(=O)c1cc(=O)c2cc(Br)ccc2o1)C1=CC[N@H+](C)CC1 ZINC000841415780 661262807 /nfs/dbraw/zinc/26/28/07/661262807.db2.gz HJXIZYBZOCWDKC-NSHDSACASA-N 1 0 391.265 2.936 20 0 GFADRO C[NH+](C)[C@@]1(CNC(=O)N2CC=C(c3ccc(Cl)nc3)CC2)CCSC1 ZINC000773606349 656461949 /nfs/dbraw/zinc/46/19/49/656461949.db2.gz JUNPOLLAKCAZEQ-GOSISDBHSA-N 1 0 380.945 2.971 20 0 GFADRO CC[NH+](CC)[C@H](CNC(=O)c1ccc2n[nH]c(=S)n2c1)c1ccsc1 ZINC000773807548 656472154 /nfs/dbraw/zinc/47/21/54/656472154.db2.gz YZLJJBXXINNKGJ-CQSZACIVSA-N 1 0 375.523 2.892 20 0 GFADRO C[C@@H]([NH2+]CC1CCN(S(C)(=O)=O)CC1)c1cc(Cl)c(N)c(Cl)c1 ZINC000774402752 656526445 /nfs/dbraw/zinc/52/64/45/656526445.db2.gz GBTNQYVDAZOZJM-SNVBAGLBSA-N 1 0 380.341 2.898 20 0 GFADRO CSCCCCC[NH2+]Cc1c(C)nn([C@H]2CCS(=O)(=O)C2)c1Cl ZINC000775360892 656632390 /nfs/dbraw/zinc/63/23/90/656632390.db2.gz NFSASKXSACDQSB-ZDUSSCGKSA-N 1 0 379.979 2.827 20 0 GFADRO CN(C)c1ncc(C[N@H+](C)C[C@H](O)c2ccc(F)c(Br)c2)cn1 ZINC000775659661 656661112 /nfs/dbraw/zinc/66/11/12/656661112.db2.gz HWNDTQODZDDUBH-HNNXBMFYSA-N 1 0 383.265 2.610 20 0 GFADRO COC(=O)N1CCC[C@@H]([C@H](C)[NH2+]CC(=O)Nc2ccc(Br)cc2)C1 ZINC000775817401 656683081 /nfs/dbraw/zinc/68/30/81/656683081.db2.gz YNZAFHKYAOPXIA-QWHCGFSZSA-N 1 0 398.301 2.844 20 0 GFADRO Cc1cnc(Br)cc1NC(=O)NC[C@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000776048727 656707283 /nfs/dbraw/zinc/70/72/83/656707283.db2.gz OPVCTKIGRJZCPH-OAHLLOKOSA-N 1 0 398.349 2.546 20 0 GFADRO COc1c(Br)cc(Cl)cc1S(=O)(=O)NC(C)(C)C[NH+](C)C ZINC000841529862 661291822 /nfs/dbraw/zinc/29/18/22/661291822.db2.gz PYFPODFONKVFDB-UHFFFAOYSA-N 1 0 399.738 2.730 20 0 GFADRO C[C@H](OC(=O)C(C)(Cl)Cl)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000777224248 656815179 /nfs/dbraw/zinc/81/51/79/656815179.db2.gz FISLKQYPVYIEAI-ZDUSSCGKSA-N 1 0 387.307 2.893 20 0 GFADRO COc1cc(OC)c(NC(=S)NC2CC[NH+](C)CC2)cc1Br ZINC000777473199 656825179 /nfs/dbraw/zinc/82/51/79/656825179.db2.gz DFJBJNWLXXCTRW-UHFFFAOYSA-N 1 0 388.331 2.847 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CNC(=S)N1CCC2(CC1)OCCc1ccsc12 ZINC000778530939 656883901 /nfs/dbraw/zinc/88/39/01/656883901.db2.gz USQWFMDFGSOCLZ-INIZCTEOSA-N 1 0 379.595 2.971 20 0 GFADRO C[C@@H]1CN(Cn2nc(C(F)(F)F)sc2=S)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000780436775 657006029 /nfs/dbraw/zinc/00/60/29/657006029.db2.gz ICPPFJKLNHDOET-VXGBXAGGSA-N 1 0 395.520 2.608 20 0 GFADRO CS[C@H]1CN(C(=O)c2cn(C(C)(C)C)nc2Br)C[C@H]1[NH+](C)C ZINC000780676183 657022529 /nfs/dbraw/zinc/02/25/29/657022529.db2.gz ZSRCBVJGNOHSRO-NEPJUHHUSA-N 1 0 389.363 2.518 20 0 GFADRO Cc1cc(Br)cc(S(=O)(=O)NC[C@H](C)[NH+]2CCCCC2)c1 ZINC000780717279 657025565 /nfs/dbraw/zinc/02/55/65/657025565.db2.gz UXGQOZUILCLEGM-ZDUSSCGKSA-N 1 0 375.332 2.910 20 0 GFADRO Brc1nnc(-c2ccc(N3CC[C@@H](C[NH+]4CCOCC4)C3)cc2)o1 ZINC000784600831 657318169 /nfs/dbraw/zinc/31/81/69/657318169.db2.gz XJBSHKMBHJGJDT-ZDUSSCGKSA-N 1 0 393.285 2.658 20 0 GFADRO O=S(=O)(Cc1ccccc1)NCC[NH2+]Cc1cnc(-c2ccco2)s1 ZINC000785437837 657364765 /nfs/dbraw/zinc/36/47/65/657364765.db2.gz ZJOJVMRJUMFCDG-UHFFFAOYSA-N 1 0 377.491 2.612 20 0 GFADRO Cn1nc(Br)cc1C[NH2+][C@H](Cc1ccccc1)[C@H](O)C(F)(F)F ZINC000785471545 657366585 /nfs/dbraw/zinc/36/65/85/657366585.db2.gz VNDLVBZARYEWTK-OCCSQVGLSA-N 1 0 392.219 2.807 20 0 GFADRO Cn1nc(Br)cc1CNc1cccc2c1CC[N@H+](CC(C)(C)O)C2 ZINC000785516277 657371400 /nfs/dbraw/zinc/37/14/00/657371400.db2.gz ZOIPXYASXIGSKD-UHFFFAOYSA-N 1 0 393.329 2.924 20 0 GFADRO CCC[N@@H+]1CCC[C@@H]1C(=O)NCc1ccc(C(=O)OC)cc1Br ZINC000785628393 657379270 /nfs/dbraw/zinc/37/92/70/657379270.db2.gz MPUVSMCKULJWFK-OAHLLOKOSA-N 1 0 383.286 2.726 20 0 GFADRO O=C(Cc1ccc(Br)c(Cl)c1)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000786849298 657474340 /nfs/dbraw/zinc/47/43/40/657474340.db2.gz HBILIFQLFKOIIQ-STQMWFEESA-N 1 0 387.705 2.624 20 0 GFADRO CNS(=O)(=O)c1cccc([C@H](C)[NH2+]C[C@H](O)c2cc(F)cc(Cl)c2)c1 ZINC000787040042 657508249 /nfs/dbraw/zinc/50/82/49/657508249.db2.gz YPYRWVCSYHPKFM-GTNSWQLSSA-N 1 0 386.876 2.771 20 0 GFADRO CS[C@@H]1CN(C(=O)c2nc(Br)ccc2C)C[C@@H]1[NH+]1CCCC1 ZINC000787270417 657536166 /nfs/dbraw/zinc/53/61/66/657536166.db2.gz POEPORDYVPWBOH-QWHCGFSZSA-N 1 0 384.343 2.804 20 0 GFADRO COc1cc(C(=O)N2CCC([NH+]3CCCCC3)CC2)cnc1Br ZINC000788170272 657666019 /nfs/dbraw/zinc/66/60/19/657666019.db2.gz JQIKBEVXQAXHGY-UHFFFAOYSA-N 1 0 382.302 2.943 20 0 GFADRO Cc1ccccc1C[NH+]1CCC(NC(=O)c2cc(Br)n[nH]2)CC1 ZINC000788283365 657689113 /nfs/dbraw/zinc/68/91/13/657689113.db2.gz OOCMZLLGHCGLFZ-UHFFFAOYSA-N 1 0 377.286 2.875 20 0 GFADRO COc1ccc(CCS(=O)(=O)N(CC[NH+](C)C)Cc2cccs2)cc1 ZINC000788647320 657760673 /nfs/dbraw/zinc/76/06/73/657760673.db2.gz ZFUFDCQJBMTHHZ-UHFFFAOYSA-N 1 0 382.551 2.693 20 0 GFADRO COC(=O)c1sc(S(=O)(=O)N(C)CC2([NH+](C)C)CCC2)c(C)c1Cl ZINC000788676441 657770326 /nfs/dbraw/zinc/77/03/26/657770326.db2.gz LXSFPFOHQDMQAM-UHFFFAOYSA-N 1 0 394.946 2.601 20 0 GFADRO C[NH+](C)Cc1ccc(S(=O)(=O)NC[C@@H](O)c2cc(F)cc(Cl)c2)cc1 ZINC000788677510 657771047 /nfs/dbraw/zinc/77/10/47/657771047.db2.gz HBHNRENEKAIJJF-QGZVFWFLSA-N 1 0 386.876 2.553 20 0 GFADRO O=C(C[NH2+]CC1(O)CCCCC1)Nc1ccc(I)cc1 ZINC000789696481 657883496 /nfs/dbraw/zinc/88/34/96/657883496.db2.gz HAYNCOCXPQBXEC-UHFFFAOYSA-N 1 0 388.249 2.515 20 0 GFADRO C[N@H+](CC(=O)N1CCC(COc2ccc(Cl)nc2)CC1)[C@@H]1CCSC1 ZINC000790096205 657926417 /nfs/dbraw/zinc/92/64/17/657926417.db2.gz WHEOJBOBBAZARF-OAHLLOKOSA-N 1 0 383.945 2.790 20 0 GFADRO Brc1cnc2c(-c3nc(-c4ccn5c[nH+]cc5c4)no3)nccn12 ZINC000790513186 657994567 /nfs/dbraw/zinc/99/45/67/657994567.db2.gz NSKNHUPNEZJHHV-UHFFFAOYSA-N 1 0 382.181 2.857 20 0 GFADRO CCn1cc(Br)cc1C(=O)OCCCN1CC[NH+](C(C)C)CC1 ZINC000791823446 658188116 /nfs/dbraw/zinc/18/81/16/658188116.db2.gz FJXLVFNLDYIOFT-UHFFFAOYSA-N 1 0 386.334 2.843 20 0 GFADRO CC(C)[NH+]1CCN(CCCOC(=O)c2cc(N)ccc2Br)CC1 ZINC000792054307 658226349 /nfs/dbraw/zinc/22/63/49/658226349.db2.gz DQDYZYNBVICHAM-UHFFFAOYSA-N 1 0 384.318 2.604 20 0 GFADRO C[C@H]1CCC[N@@H+]1CCNC(=O)c1nc(Br)ccc1Br ZINC000792461439 658283787 /nfs/dbraw/zinc/28/37/87/658283787.db2.gz YHNNPIJANWDXLV-VIFPVBQESA-N 1 0 391.107 2.821 20 0 GFADRO C[C@@H](CCc1ccc(I)cc1)[NH2+]C[C@H](O)c1cnn(C)c1 ZINC000793003170 658344452 /nfs/dbraw/zinc/34/44/52/658344452.db2.gz DEKZLDMSDWYJOO-LRDDRELGSA-N 1 0 399.276 2.669 20 0 GFADRO NC(=O)[C@H]([NH2+][C@@H]1CC[C@H]2SCCS[C@H]12)c1cccc(Br)c1 ZINC000793267767 658379256 /nfs/dbraw/zinc/37/92/56/658379256.db2.gz WCRCDLZWEVHBOX-AAVRWANBSA-N 1 0 387.368 2.945 20 0 GFADRO Cc1nc(SC(F)F)sc1CC(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000793292395 658381863 /nfs/dbraw/zinc/38/18/63/658381863.db2.gz DKKRCWZYYZIQDI-UHFFFAOYSA-N 1 0 375.470 2.706 20 0 GFADRO CN1CC[C@@]2(CC[N@H+](Cn3ccc(=O)c4cccc(Br)c43)C2)C1 ZINC000793769329 658435482 /nfs/dbraw/zinc/43/54/82/658435482.db2.gz UERRFKDNFDPHLJ-GOSISDBHSA-N 1 0 376.298 2.749 20 0 GFADRO C[N@@H+]1CCC[C@H]2CN(Cn3c(=O)oc4cccc(Br)c43)CC[C@H]21 ZINC000794635290 658586091 /nfs/dbraw/zinc/58/60/91/658586091.db2.gz VMKNDQFVDKDRBE-GXTWGEPZSA-N 1 0 380.286 2.731 20 0 GFADRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1Cn1c(=O)oc2cccc(Br)c21 ZINC000795708155 658843397 /nfs/dbraw/zinc/84/33/97/658843397.db2.gz RSFXMFFTAFWWHE-OLZOCXBDSA-N 1 0 380.286 2.873 20 0 GFADRO CC[C@H](C)[NH2+][C@H](CNS(=O)(=O)c1cnc(Cl)c(OC)c1)c1ccco1 ZINC000796049934 658884969 /nfs/dbraw/zinc/88/49/69/658884969.db2.gz YZEUZIZECBIAJX-WCQYABFASA-N 1 0 387.889 2.744 20 0 GFADRO COC(=O)C1CCC([NH2+]Cc2ncc(I)s2)CC1 ZINC000796289077 658910560 /nfs/dbraw/zinc/91/05/60/658910560.db2.gz SYUBOPTYRSZAQX-UHFFFAOYSA-N 1 0 380.251 2.569 20 0 GFADRO COC(=O)C[C@](C)([NH2+]C/C=C(\C)C(=O)OC)c1ccc(Br)cc1 ZINC000796497097 658920208 /nfs/dbraw/zinc/92/02/08/658920208.db2.gz FPFPITPLPHUGRH-KQPPXVQYSA-N 1 0 384.270 2.936 20 0 GFADRO CC(C)C[N@@H+]1CCO[C@H](COC(=O)c2cn3ccc(Br)cc3n2)C1 ZINC000797015756 658962683 /nfs/dbraw/zinc/96/26/83/658962683.db2.gz GRYZOKDWBUOQDV-AWEZNQCLSA-N 1 0 396.285 2.610 20 0 GFADRO CC(C)S(=O)(=O)CCC[N@@H+]1CCC[C@@H](CCNC(=O)OC(C)(C)C)C1 ZINC000799362610 659184346 /nfs/dbraw/zinc/18/43/46/659184346.db2.gz RQPYTODGTDDKRM-INIZCTEOSA-N 1 0 376.563 2.827 20 0 GFADRO CCc1noc(C)c1[C@H](C)[NH2+]CCNS(=O)(=O)c1ccc(Cl)cc1F ZINC000799726162 659217490 /nfs/dbraw/zinc/21/74/90/659217490.db2.gz LTCJIECRODWTTM-JTQLQIEISA-N 1 0 389.880 2.967 20 0 GFADRO C[C@@H]1CCC[N@H+](CCNC(=O)NC[C@H](O)c2cccc(Br)c2)C1 ZINC000799882114 659238096 /nfs/dbraw/zinc/23/80/96/659238096.db2.gz DNVFSSNIOWKLSM-CJNGLKHVSA-N 1 0 384.318 2.514 20 0 GFADRO C[NH+](C)C1(CNC(=O)NC[C@H](O)c2cccc(Br)c2)CCCC1 ZINC000799938677 659247749 /nfs/dbraw/zinc/24/77/49/659247749.db2.gz GGLXTJNKLSXFOU-HNNXBMFYSA-N 1 0 384.318 2.656 20 0 GFADRO O=C(CCNC(=O)c1ccc(Br)cc1)OCCC[NH+]1CCCC1 ZINC000800098930 659270016 /nfs/dbraw/zinc/27/00/16/659270016.db2.gz LHUZEMBIKSJKJT-UHFFFAOYSA-N 1 0 383.286 2.598 20 0 GFADRO CC[NH+](CC)CCCOC(=O)CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O ZINC000800111426 659271768 /nfs/dbraw/zinc/27/17/68/659271768.db2.gz VCMMPYBKGYXRFC-UHFFFAOYSA-N 1 0 387.263 2.865 20 0 GFADRO O=C(OCCC[NH+]1CCCC1)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000800128357 659273405 /nfs/dbraw/zinc/27/34/05/659273405.db2.gz IAZMZKKEEWFWGV-CQSZACIVSA-N 1 0 395.297 2.831 20 0 GFADRO Cc1nn(C)c(Br)c1C(=O)N[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000801099589 659368723 /nfs/dbraw/zinc/36/87/23/659368723.db2.gz VVFATMKIZDGWBG-SWLSCSKDSA-N 1 0 391.313 2.884 20 0 GFADRO C[C@H](NC(=O)NC[C@@H](O)c1cccc(Br)c1)C(C)(C)C[NH+](C)C ZINC000801756105 659423452 /nfs/dbraw/zinc/42/34/52/659423452.db2.gz XRBLFRDTBUEXCB-SWLSCSKDSA-N 1 0 386.334 2.758 20 0 GFADRO C[N@H+](CC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)CC(C)(C)S(C)(=O)=O ZINC000801935202 659435657 /nfs/dbraw/zinc/43/56/57/659435657.db2.gz ATRSXMZXITVRGA-HNNXBMFYSA-N 1 0 376.563 2.779 20 0 GFADRO Cc1nn(C)c(Br)c1C(=O)NCC[N@H+]1CC=C(C(C)(C)C)CC1 ZINC000803121722 659554145 /nfs/dbraw/zinc/55/41/45/659554145.db2.gz JPSWJDSROUBGGE-UHFFFAOYSA-N 1 0 383.334 2.899 20 0 GFADRO O=C(N[C@@H]1CCc2cncn2C1)c1cnn(-c2ccccc2)c1Br ZINC000804335665 659635497 /nfs/dbraw/zinc/63/54/97/659635497.db2.gz CYVHUCNMDBWQTO-GFCCVEGCSA-N 1 0 386.253 2.576 20 0 GFADRO C[N@H+](Cc1ccccc1)[C@H]1CCN(S(=O)(=O)c2cnc(Cl)c(F)c2)C1 ZINC000805018274 659717605 /nfs/dbraw/zinc/71/76/05/659717605.db2.gz FEOWUEGZSJUEFS-AWEZNQCLSA-N 1 0 383.876 2.769 20 0 GFADRO COc1nc(Br)ccc1NC(=O)N1CC[C@@H]([NH+]2CCCC2)[C@H]1C ZINC000806451960 659832527 /nfs/dbraw/zinc/83/25/27/659832527.db2.gz WCUCHVSBFYCPTR-DGCLKSJQSA-N 1 0 383.290 2.943 20 0 GFADRO O=C(NCCn1cc(Br)cn1)NC1CCC([NH+]2CCCCC2)CC1 ZINC000806930681 659844703 /nfs/dbraw/zinc/84/47/03/659844703.db2.gz IGGJZMPZHPEMNR-UHFFFAOYSA-N 1 0 398.349 2.742 20 0 GFADRO C[C@@H](C[NH+](C)C)NC(=O)C(=O)Nc1ccc2cc(Br)ccc2c1 ZINC000807459340 659856078 /nfs/dbraw/zinc/85/60/78/659856078.db2.gz ZGVRZPYZOOYSKW-NSHDSACASA-N 1 0 378.270 2.607 20 0 GFADRO CCC[N@@H+]1CCC[C@H]1CNC(=O)CCN1C(=S)N=NC1c1cccs1 ZINC000807748471 659863618 /nfs/dbraw/zinc/86/36/18/659863618.db2.gz WNUGDEBKEFPHCZ-ZDUSSCGKSA-N 1 0 379.555 2.676 20 0 GFADRO O=C(c1ccc(C2SCCCS2)cc1)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000808157369 659880244 /nfs/dbraw/zinc/88/02/44/659880244.db2.gz JCJIFTWPBJQHGZ-SJORKVTESA-N 1 0 378.563 2.836 20 0 GFADRO CCCC[N@H+](C)C[C@H](C)NS(=O)(=O)c1cc(Br)cnc1Cl ZINC000808353776 659892485 /nfs/dbraw/zinc/89/24/85/659892485.db2.gz CYRWBALQTGBCQC-JTQLQIEISA-N 1 0 398.754 2.896 20 0 GFADRO Cn1c(Cl)c(Cl)cc1C(=O)NCc1ccncc1OCCC[NH+](C)C ZINC000809190192 659919026 /nfs/dbraw/zinc/91/90/26/659919026.db2.gz LVIDOXHBXWJQHN-UHFFFAOYSA-N 1 0 385.295 2.987 20 0 GFADRO Cn1ncc(-c2noc(-c3ccccc3OCC[NH+](C)C)n2)c1Br ZINC000809481967 659928959 /nfs/dbraw/zinc/92/89/59/659928959.db2.gz QQPRCXAITRVEOL-UHFFFAOYSA-N 1 0 392.257 2.840 20 0 GFADRO Cc1cc(Br)cc(C[NH+]2CCC(C(=O)N3CCN(C)CC3)CC2)c1 ZINC000809733045 659937303 /nfs/dbraw/zinc/93/73/03/659937303.db2.gz PFOLMAMPKLNZKS-UHFFFAOYSA-N 1 0 394.357 2.744 20 0 GFADRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]Cc3nc4ccccn4c3Br)[C@@H]2C1 ZINC000809787707 659939251 /nfs/dbraw/zinc/93/92/51/659939251.db2.gz HVJPYDKREDLKRL-ZNMIVQPWSA-N 1 0 391.313 2.833 20 0 GFADRO CCCC[N@H+](C)C[C@@H](C)NS(=O)(=O)c1cc(C(=O)OC)c(Cl)cc1F ZINC000809860514 659950442 /nfs/dbraw/zinc/95/04/42/659950442.db2.gz QDHZJVAFJZVJQO-LLVKDONJSA-N 1 0 394.896 2.664 20 0 GFADRO CC[N@H+](CCS(C)(=O)=O)C[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)CC1 ZINC000809965887 659953936 /nfs/dbraw/zinc/95/39/36/659953936.db2.gz PHMZVOIRQJKDHJ-WKILWMFISA-N 1 0 376.563 2.684 20 0 GFADRO CC(C)C1CCC([NH+]2CCN(C(=O)c3c(Br)nnn3C)CC2)CC1 ZINC000810491319 659974839 /nfs/dbraw/zinc/97/48/39/659974839.db2.gz MERRUDATEOWIIV-UHFFFAOYSA-N 1 0 398.349 2.550 20 0 GFADRO CC[N@H+](CCC1CCN(C(=O)c2c(Br)nnn2C)CC1)CC1CC1 ZINC000810867341 659989026 /nfs/dbraw/zinc/98/90/26/659989026.db2.gz QYXSANYADBUJFW-UHFFFAOYSA-N 1 0 398.349 2.552 20 0 GFADRO CSC1(CNC(=O)c2nc(Br)ccc2F)CC[NH+](C)CC1 ZINC000810877381 659989283 /nfs/dbraw/zinc/98/92/83/659989283.db2.gz AXHFAEHVOBHWSW-UHFFFAOYSA-N 1 0 376.295 2.540 20 0 GFADRO COC(=O)c1ccc(Cl)c(C(=O)N2C[C@H](SC)[C@@H]([NH+]3CCCC3)C2)c1 ZINC000811034130 659995388 /nfs/dbraw/zinc/99/53/88/659995388.db2.gz OPDXIPTVOUKBJI-HOTGVXAUSA-N 1 0 382.913 2.778 20 0 GFADRO Cc1cccc(Br)c1C(=O)OCC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000811269816 660005219 /nfs/dbraw/zinc/00/52/19/660005219.db2.gz BZBQKGPCGNLXOP-UHFFFAOYSA-N 1 0 397.313 2.903 20 0 GFADRO CCN(C[C@@H](C)OC)CN1C(=O)N[C@](C)(c2ccc(Br)cc2)C1=O ZINC000812303337 660023009 /nfs/dbraw/zinc/02/30/09/660023009.db2.gz OTUSAAHMNOXSPJ-SJKOYZFVSA-N 1 0 398.301 2.530 20 0 GFADRO COC(=O)c1cc(Br)cc(C(=O)N2CCC23CC[NH+](C)CC3)c1 ZINC000812518676 660029179 /nfs/dbraw/zinc/02/91/79/660029179.db2.gz JLBVRVBPLNMTMP-UHFFFAOYSA-N 1 0 381.270 2.546 20 0 GFADRO Cc1cnc(Br)c(NC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)c1 ZINC000813003046 660039667 /nfs/dbraw/zinc/03/96/67/660039667.db2.gz COFXQHFGKCRCOZ-CYBMUJFWSA-N 1 0 385.306 2.631 20 0 GFADRO Cc1cc2cc(S(=O)(=O)N[C@H]3C[N@H+](C4CC4)C[C@@H]3C)ccc2nc1Cl ZINC000815025157 660103394 /nfs/dbraw/zinc/10/33/94/660103394.db2.gz DZPDLQIMYMFPCK-SJCJKPOMSA-N 1 0 379.913 2.958 20 0 GFADRO C[C@](O)(C[N@@H+]1CC[C@H](n2cncn2)C1)c1ccc(Br)cc1Cl ZINC000815094989 660111541 /nfs/dbraw/zinc/11/15/41/660111541.db2.gz KHFAJVKBEKVCHI-WFASDCNBSA-N 1 0 385.693 2.849 20 0 GFADRO O[C@@H](COc1ccc(Cl)c(Cl)c1)C[NH+]1CCC2(CC1)OCCCO2 ZINC000815156339 660114670 /nfs/dbraw/zinc/11/46/70/660114670.db2.gz BKOZECFXLRBRJJ-CYBMUJFWSA-N 1 0 376.280 2.962 20 0 GFADRO C[C@H]([NH2+]CCS(=O)(=O)N1CCOCC1)c1ccccc1SC(C)(C)C ZINC000815591437 660126120 /nfs/dbraw/zinc/12/61/20/660126120.db2.gz HMASRLLYKILYAN-HNNXBMFYSA-N 1 0 386.583 2.890 20 0 GFADRO O=C(c1cn2c(Br)cnc2s1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000815673128 660127921 /nfs/dbraw/zinc/12/79/21/660127921.db2.gz BEOGSJTWLMLQNE-LLVKDONJSA-N 1 0 383.315 2.716 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)N(C)C1CCC([NH3+])CC1 ZINC000841633045 661307085 /nfs/dbraw/zinc/30/70/85/661307085.db2.gz RFLLKYBGNSHUOT-UHFFFAOYSA-N 1 0 397.317 2.607 20 0 GFADRO [NH3+]C[C@@H](NC(=O)NC[C@@H](O)c1cccc(Br)c1)C1CCCCC1 ZINC000841939715 661317991 /nfs/dbraw/zinc/31/79/91/661317991.db2.gz JMVUPSLITQCGJY-HZPDHXFCSA-N 1 0 384.318 2.689 20 0 GFADRO CC(C)[NH2+]CCCNC(=O)N1CCO[C@@H](c2ccccc2Br)C1 ZINC000841934546 661318024 /nfs/dbraw/zinc/31/80/24/661318024.db2.gz ZOMWHJFBIYXEAB-MRXNPFEDSA-N 1 0 384.318 2.920 20 0 GFADRO C[C@H](NC(=O)N1CCO[C@@H](c2ccccc2Br)C1)[C@@H]1CCC[NH2+]C1 ZINC000841929946 661318066 /nfs/dbraw/zinc/31/80/66/661318066.db2.gz XZZHHAKTAPEVCJ-JJRVBVJISA-N 1 0 396.329 2.920 20 0 GFADRO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1cnc(Cl)c(C(F)(F)F)c1 ZINC000842202947 661326853 /nfs/dbraw/zinc/32/68/53/661326853.db2.gz MZJFPSCDZRWYJV-SECBINFHSA-N 1 0 380.798 2.539 20 0 GFADRO CC[C@H](C)[N@H+](C)CCN1C(=O)[C@@H]2Cc3c(Br)cccc3CN2C1=O ZINC000842241020 661329699 /nfs/dbraw/zinc/32/96/99/661329699.db2.gz XHNNMMNPEQZGJI-LRDDRELGSA-N 1 0 394.313 2.868 20 0 GFADRO [NH3+][C@@H]1CN(CCS(=O)(=O)c2ccc(Cl)cc2)C[C@H]1c1ccccc1F ZINC000842477329 661341231 /nfs/dbraw/zinc/34/12/31/661341231.db2.gz PWFBCLBOCDLGKX-FUHWJXTLSA-N 1 0 382.888 2.680 20 0 GFADRO COc1ccc2nc(Cl)ccc2c1S(=O)(=O)N(C)CC[C@@H]([NH3+])C(C)C ZINC000842738817 661351880 /nfs/dbraw/zinc/35/18/80/661351880.db2.gz XQZCPZHTHLOTBV-CYBMUJFWSA-N 1 0 385.917 2.891 20 0 GFADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+][C@H]1C[C@@H](OC(C)(C)C)C1 ZINC000842763412 661353010 /nfs/dbraw/zinc/35/30/10/661353010.db2.gz FRKVBHCBUAWXGK-MCIONIFRSA-N 1 0 389.949 2.640 20 0 GFADRO CC[C@@H]1CN(S(=O)(=O)c2cc(C(=O)OC)c(Cl)cc2Cl)CC[C@H]1[NH3+] ZINC000842797006 661355008 /nfs/dbraw/zinc/35/50/08/661355008.db2.gz DCQIIBHZYZEMKW-NOZJJQNGSA-N 1 0 395.308 2.528 20 0 GFADRO COC(=O)c1ccc(Cl)c(S(=O)(=O)N(CCC[NH3+])CC2CCCC2)c1 ZINC000842861074 661357542 /nfs/dbraw/zinc/35/75/42/661357542.db2.gz NCYSBHVMJBDMEO-UHFFFAOYSA-N 1 0 388.917 2.656 20 0 GFADRO O=S(=O)(/C=C/c1ccccc1Br)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000842871384 661358116 /nfs/dbraw/zinc/35/81/16/661358116.db2.gz CCSGFVWCWMFUDU-ONWOKCAKSA-N 1 0 385.327 2.681 20 0 GFADRO O=S(=O)(/C=C/c1ccc(Br)cc1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000842873691 661358313 /nfs/dbraw/zinc/35/83/13/661358313.db2.gz ZNLXOMCYSWYLFY-ONWOKCAKSA-N 1 0 385.327 2.681 20 0 GFADRO O=S(=O)(c1ccc2nc(Cl)sc2c1)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000842892520 661359091 /nfs/dbraw/zinc/35/90/91/661359091.db2.gz FZPIVYXAGXYWNY-NEPJUHHUSA-N 1 0 385.942 2.960 20 0 GFADRO O[C@@H](C[NH2+]C[C@H](O)COc1ccc(F)c(F)c1)c1ccc(F)cc1Cl ZINC000843070468 661366239 /nfs/dbraw/zinc/36/62/39/661366239.db2.gz BEZZYSCMGTTXKJ-GTNSWQLSSA-N 1 0 375.774 2.820 20 0 GFADRO Cc1cccc([C@H](O)C[NH2+]C[C@@H](O)COc2cc(F)cc(Br)c2)c1 ZINC000843089483 661367281 /nfs/dbraw/zinc/36/72/81/661367281.db2.gz SJELRNZNZSXDSM-SJLPKXTDSA-N 1 0 398.272 2.960 20 0 GFADRO Cc1nc2c(n1CCO)CC[C@@H]([NH2+]C[C@H](O)c1ccc(Cl)cc1Cl)C2 ZINC000843111221 661368688 /nfs/dbraw/zinc/36/86/88/661368688.db2.gz FDBBBZGYWIJMJA-ACJLOTCBSA-N 1 0 384.307 2.671 20 0 GFADRO C[C@](O)(C[NH2+]C[C@H](CO)[C@H]1CCOC1)c1ccc(Br)cc1Cl ZINC000843112887 661369041 /nfs/dbraw/zinc/36/90/41/661369041.db2.gz WPYSYNMRYZWGNX-OZVIIMIRSA-N 1 0 392.721 2.545 20 0 GFADRO O[C@H](C[NH2+][C@@H]1COc2ccccc2[C@@H]1O)COc1ccc(Cl)cc1Cl ZINC000843116106 661369326 /nfs/dbraw/zinc/36/93/26/661369326.db2.gz MBBSJVUAIUENSF-DWQUBVKVSA-N 1 0 384.259 2.817 20 0 GFADRO COc1ccc(C[C@H](CO)C[NH2+]CC2(O)CCCCC2)cc1Br ZINC000843117421 661369660 /nfs/dbraw/zinc/36/96/60/661369660.db2.gz PSPQLEUFQFLOSO-HNNXBMFYSA-N 1 0 386.330 2.894 20 0 GFADRO Brc1ccc(Cc2noc(-c3cn(C4CC[NH2+]CC4)nn3)n2)cc1 ZINC000843169389 661371536 /nfs/dbraw/zinc/37/15/36/661371536.db2.gz DWRYAPFIJZWYRD-UHFFFAOYSA-N 1 0 389.257 2.606 20 0 GFADRO Ic1cccc(-c2noc(C[C@H]3CSCC[NH2+]3)n2)c1 ZINC000843199928 661371704 /nfs/dbraw/zinc/37/17/04/661371704.db2.gz DXBXLWBYTWJKPR-NSHDSACASA-N 1 0 387.246 2.589 20 0 GFADRO Fc1cc(Br)cc(-c2noc(-c3cn(C4CC[NH2+]CC4)nn3)n2)c1 ZINC000843201185 661372022 /nfs/dbraw/zinc/37/20/22/661372022.db2.gz QMJZZRYYVSOSSO-UHFFFAOYSA-N 1 0 393.220 2.821 20 0 GFADRO O=C(Cc1noc(C[C@@H]2CSCC[NH2+]2)n1)Nc1cc(Cl)ccc1Cl ZINC000843214780 661373512 /nfs/dbraw/zinc/37/35/12/661373512.db2.gz JCOQZCWXRIAGHV-SNVBAGLBSA-N 1 0 387.292 2.805 20 0 GFADRO [NH3+]C1C[C@H]2CCC[C@@H](C1)N2CCS(=O)(=O)c1cccc(Br)c1 ZINC000843360361 661378626 /nfs/dbraw/zinc/37/86/26/661378626.db2.gz RSFYSRBTDUBCNB-GOOCMWNKSA-N 1 0 387.343 2.567 20 0 GFADRO C[C@H](C[C@H](C)NC(=O)OC(C)(C)C)[NH2+]Cc1c(Br)cnn1C ZINC000843417175 661380791 /nfs/dbraw/zinc/38/07/91/661380791.db2.gz QGTGMBWKABSIIE-MNOVXSKESA-N 1 0 375.311 2.964 20 0 GFADRO CC(=O)N[C@@H](CC(=O)NCCCCCC[NH3+])c1ccc(Br)cc1 ZINC000843510482 661383833 /nfs/dbraw/zinc/38/38/33/661383833.db2.gz RIOKSPWWGSNNMS-INIZCTEOSA-N 1 0 384.318 2.652 20 0 GFADRO CC[NH+]1CCN(CCNC(=O)C(F)(F)c2cccc(Cl)c2Cl)CC1 ZINC000843795890 661392852 /nfs/dbraw/zinc/39/28/52/661392852.db2.gz DQKJZVQVBRYYBW-UHFFFAOYSA-N 1 0 380.266 2.839 20 0 GFADRO [NH3+][C@H](C(=O)N1CCN(Cc2ccc(Cl)nc2)CC1)c1cccc(Cl)c1 ZINC000844186720 661409408 /nfs/dbraw/zinc/40/94/08/661409408.db2.gz QVNULSHRUWJWDB-KRWDZBQOSA-N 1 0 379.291 2.733 20 0 GFADRO CC(=O)Nc1ccc(OC[C@H](O)C[NH2+]CCC[C@@H]2CC2(Cl)Cl)cc1 ZINC000844275965 661412355 /nfs/dbraw/zinc/41/23/55/661412355.db2.gz AFXJRXUQKODSJF-UKRRQHHQSA-N 1 0 375.296 2.948 20 0 GFADRO CC(=O)Nc1ccc(OC[C@@H](O)C[NH2+]CCC[C@H]2CC2(Cl)Cl)cc1 ZINC000844275966 661412546 /nfs/dbraw/zinc/41/25/46/661412546.db2.gz AFXJRXUQKODSJF-ZFWWWQNUSA-N 1 0 375.296 2.948 20 0 GFADRO [NH3+][C@@H]1CCC[C@H]1Cc1nc(Cc2cc(Br)c3c(c2)OCCO3)no1 ZINC000844914263 661449200 /nfs/dbraw/zinc/44/92/00/661449200.db2.gz GCDISHQHUYORAQ-WCQYABFASA-N 1 0 394.269 2.864 20 0 GFADRO CC(C)C[N@H+](C)CCCNC(=O)NC[C@H](O)c1ccccc1Br ZINC000845313615 661465248 /nfs/dbraw/zinc/46/52/48/661465248.db2.gz FAZIEOWDZZDTRD-INIZCTEOSA-N 1 0 386.334 2.760 20 0 GFADRO C[C@@]1(CCNC(=O)N2CCC(OCC[NH+]3CCCC3)CC2)C[C@]1(F)Cl ZINC000845410131 661469517 /nfs/dbraw/zinc/46/95/17/661469517.db2.gz LDWOKEPJFIFWSW-QZTJIDSGSA-N 1 0 375.916 2.978 20 0 GFADRO C[C@@H]1[C@H](COC(=O)[C@@H]2CCN(c3ccccc3Br)C2=O)CC[N@@H+]1C ZINC000845815374 661498740 /nfs/dbraw/zinc/49/87/40/661498740.db2.gz YYFUBZVJHHAHNM-HZSPNIEDSA-N 1 0 395.297 2.685 20 0 GFADRO C[NH+]1CCC(ONC(=O)c2ccc(I)cc2Cl)CC1 ZINC000846646810 661560777 /nfs/dbraw/zinc/56/07/77/661560777.db2.gz GNIHVYBZXNQZQF-UHFFFAOYSA-N 1 0 394.640 2.700 20 0 GFADRO O=C(Nc1cccc(Cl)c1SC(F)F)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000847142895 661577520 /nfs/dbraw/zinc/57/75/20/661577520.db2.gz GLYOCYGTXRFUQJ-VHSXEESVSA-N 1 0 377.844 2.937 20 0 GFADRO Cc1c(Br)cccc1CC(=O)NC[C@@H](C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000847177718 661579299 /nfs/dbraw/zinc/57/92/99/661579299.db2.gz KHELXUNJVPGMOX-MCIONIFRSA-N 1 0 383.330 2.914 20 0 GFADRO C[C@H](CNC(=O)c1cc(Br)ncc1Cl)N1C[C@@H](C)O[C@@H](C)C1 ZINC000847177643 661579339 /nfs/dbraw/zinc/57/93/39/661579339.db2.gz JKWZOGHNKJRDRB-MXWKQRLJSA-N 1 0 390.709 2.725 20 0 GFADRO C[NH+]1CCN(c2ccc(NC(=O)c3nc(F)ccc3Br)cc2)CC1 ZINC000847294600 661586407 /nfs/dbraw/zinc/58/64/07/661586407.db2.gz RTJWHYCUSKJFDV-UHFFFAOYSA-N 1 0 393.260 2.987 20 0 GFADRO O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cnc(F)c(Br)c1 ZINC000847302121 661586828 /nfs/dbraw/zinc/58/68/28/661586828.db2.gz KLJFKWAVKCNRED-CQSZACIVSA-N 1 0 378.245 2.988 20 0 GFADRO O=C(NC[C@@H](O)c1cccc(Br)c1)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000847446908 661592808 /nfs/dbraw/zinc/59/28/08/661592808.db2.gz KWACPYSKUWQPNW-GVDBMIGSSA-N 1 0 396.329 2.799 20 0 GFADRO CC(C)OCC[NH+]1CCC(NC(=O)c2cnc(F)c(Br)c2)CC1 ZINC000847544524 661596718 /nfs/dbraw/zinc/59/67/18/661596718.db2.gz LBFMTRRBWASNLJ-UHFFFAOYSA-N 1 0 388.281 2.602 20 0 GFADRO C[N@H+](CCNC(=O)c1nc(F)ccc1Br)Cc1ccc(F)cc1 ZINC000847548707 661596732 /nfs/dbraw/zinc/59/67/32/661596732.db2.gz XUNKROOIQAGPQD-UHFFFAOYSA-N 1 0 384.224 2.984 20 0 GFADRO C[C@H]1C[NH+](CCCCNC(=O)c2nc(F)ccc2Br)C[C@H](C)O1 ZINC000847553090 661597088 /nfs/dbraw/zinc/59/70/88/661597088.db2.gz OCXHYDUFLKUWTM-RYUDHWBXSA-N 1 0 388.281 2.602 20 0 GFADRO CS[C@@H]1CN(C(=O)c2nc(F)ccc2Br)C[C@@H]1[NH+]1CCCC1 ZINC000847724994 661607851 /nfs/dbraw/zinc/60/78/51/661607851.db2.gz INSZQFJUORPPMI-NWDGAFQWSA-N 1 0 388.306 2.635 20 0 GFADRO O=C([C@@H]1C[C@]12CCC[NH2+]C2)N1CCO[C@H](c2ccccc2Br)C1 ZINC000848398252 661645735 /nfs/dbraw/zinc/64/57/35/661645735.db2.gz RYVBGTSBEOYYTR-ZVZYQTTQSA-N 1 0 379.298 2.739 20 0 GFADRO O=C(Cn1c(Cl)c(Cl)cc(Cl)c1=O)NC1CC[NH+](C2CC2)CC1 ZINC000848441769 661648555 /nfs/dbraw/zinc/64/85/55/661648555.db2.gz VHWHFRVYSBWELR-UHFFFAOYSA-N 1 0 378.687 2.552 20 0 GFADRO O=C1O[C@H](C[NH2+]CC2=Cc3cc(Br)ccc3OC2)CN1C1CC1 ZINC000848578867 661666512 /nfs/dbraw/zinc/66/65/12/661666512.db2.gz UIZFDNBZZHHHRT-OAHLLOKOSA-N 1 0 379.254 2.798 20 0 GFADRO [NH3+]CC12CCC(CC1)CN2S(=O)(=O)/C=C/c1ccc(Br)cc1 ZINC000848602009 661667654 /nfs/dbraw/zinc/66/76/54/661667654.db2.gz OSUWNDSOYQZFTR-JXMROGBWSA-N 1 0 385.327 2.953 20 0 GFADRO O=S(=O)(Cc1noc([C@H]2C[C@@]23CCC[NH2+]C3)n1)Cc1ccc(Cl)cc1 ZINC000848629733 661668768 /nfs/dbraw/zinc/66/87/68/661668768.db2.gz FOBCOWMXSHSICY-RHSMWYFYSA-N 1 0 381.885 2.695 20 0 GFADRO C[C@H]1CCCN(C(=[NH2+])NCCNS(=O)(=O)c2cccc(Cl)c2Cl)C1 ZINC000849050699 661690363 /nfs/dbraw/zinc/69/03/63/661690363.db2.gz FDYZWMDMMCTFPP-NSHDSACASA-N 1 0 393.340 2.528 20 0 GFADRO [NH2+]=C(NCc1cc(Br)ccc1OC(F)F)NC[C@H]1CCCO1 ZINC000849006446 661690426 /nfs/dbraw/zinc/69/04/26/661690426.db2.gz KCVBEZOFQMYAND-LLVKDONJSA-N 1 0 378.217 2.843 20 0 GFADRO CN(C)[C@@]1(CNC(=[NH2+])NCc2ccc(OC(F)(F)F)cc2)CCSC1 ZINC000849096498 661692082 /nfs/dbraw/zinc/69/20/82/661692082.db2.gz LIEJLTDEBAGQAF-OAHLLOKOSA-N 1 0 376.448 2.636 20 0 GFADRO [NH2+]=C(NC[C@H](CO)Cc1ccc(F)c(Br)c1)Nc1ccccn1 ZINC000849116478 661693229 /nfs/dbraw/zinc/69/32/29/661693229.db2.gz KXBKKVSTQCNWFU-GFCCVEGCSA-N 1 0 381.249 2.771 20 0 GFADRO CC(=O)NCc1ccc(C[NH2+]C[C@@H](O)c2ccccc2Br)cc1 ZINC000849326751 661705734 /nfs/dbraw/zinc/70/57/34/661705734.db2.gz FSFWDQIZAJRHEY-GOSISDBHSA-N 1 0 377.282 2.908 20 0 GFADRO COc1cncc(C[NH2+][C@H]2CCN(c3cccc(Br)c3)C2=O)c1 ZINC000850280942 661768572 /nfs/dbraw/zinc/76/85/72/661768572.db2.gz MRTDCQCGVQHKBT-INIZCTEOSA-N 1 0 376.254 2.748 20 0 GFADRO CS(=O)(=O)CC1(CC[NH2+]Cc2ccccc2I)CC1 ZINC000850342799 661770644 /nfs/dbraw/zinc/77/06/44/661770644.db2.gz NOTORDSRTIVULV-UHFFFAOYSA-N 1 0 393.290 2.596 20 0 GFADRO O=[S@@](CC[NH2+]Cc1cnn(Cc2ccccc2)c1Cl)CC(F)(F)F ZINC000850349557 661771005 /nfs/dbraw/zinc/77/10/05/661771005.db2.gz HTUWQJSDQNINCN-DEOSSOPVSA-N 1 0 379.835 2.985 20 0 GFADRO C[C@@H]([NH2+]C[C@@H](O)CS(=O)(=O)c1cccs1)c1ccc2c(c1)CCCO2 ZINC000850448904 661776793 /nfs/dbraw/zinc/77/67/93/661776793.db2.gz WSTLKGHOJWIKKE-CZUORRHYSA-N 1 0 381.519 2.559 20 0 GFADRO CCOC(=O)C(F)(F)[C@H]1CC[C@@H]([NH2+]CC2(S(C)(=O)=O)CCCCC2)C1 ZINC000850531312 661781157 /nfs/dbraw/zinc/78/11/57/661781157.db2.gz IXZCKKXYPXHPRM-UONOGXRCSA-N 1 0 381.485 2.691 20 0 GFADRO O=S(=O)(c1c(Cl)ccnc1Cl)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000850589473 661782604 /nfs/dbraw/zinc/78/26/04/661782604.db2.gz MKRGVGUWOQMGBV-GFCCVEGCSA-N 1 0 378.325 2.789 20 0 GFADRO [NH3+][C@@H]1CN(S(=O)(=O)Cc2ccc(Cl)nc2)CC[C@H]1c1ccc(F)cc1 ZINC000850592544 661783066 /nfs/dbraw/zinc/78/30/66/661783066.db2.gz OOPPMPHKOOFHKU-JKSUJKDBSA-N 1 0 383.876 2.521 20 0 GFADRO CS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCCC[C@@H]2[C@@H]2CCC[NH2+]C2)c1 ZINC000850715734 661788371 /nfs/dbraw/zinc/78/83/71/661788371.db2.gz NGWDTXXIMPVCJK-CXAGYDPISA-N 1 0 384.929 2.738 20 0 GFADRO Cn1c(Cl)cnc1-c1csc(NC(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)n1 ZINC000850754414 661790524 /nfs/dbraw/zinc/79/05/24/661790524.db2.gz PGQBLJLHVGYYTC-OUAUKWLOSA-N 1 0 380.905 2.707 20 0 GFADRO CC(C)(C)OC(=O)NCCNC(=O)[C@H]1CCC[N@H+](CC=C(Cl)Cl)C1 ZINC000851740732 661830054 /nfs/dbraw/zinc/83/00/54/661830054.db2.gz WTSJMOZCCQBQDE-LBPRGKRZSA-N 1 0 380.316 2.658 20 0 GFADRO CC[C@@H]1Oc2cc([C@@H](C)[NH2+]CCn3cnc(Br)n3)ccc2NC1=O ZINC000851904424 661845581 /nfs/dbraw/zinc/84/55/81/661845581.db2.gz WLQSPKHUBGJXBQ-MFKMUULPSA-N 1 0 394.273 2.501 20 0 GFADRO C[C@@H](c1cccc(N2CCOC2=O)c1)[N@H+](C)CCn1cnc(Br)n1 ZINC000851997908 661848455 /nfs/dbraw/zinc/84/84/55/661848455.db2.gz OQVSGFBIUPEQPY-LBPRGKRZSA-N 1 0 394.273 2.690 20 0 GFADRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)NCCC2SCCS2)[C@@H](C)C1 ZINC000852115912 661853233 /nfs/dbraw/zinc/85/32/33/661853233.db2.gz VIFZISXIASBMLH-LSDHHAIUSA-N 1 0 375.604 2.619 20 0 GFADRO CC(C)C[NH2+]C1(CO)CCN(C[C@H](O)c2ccc(Br)cc2)CC1 ZINC000852122086 661853697 /nfs/dbraw/zinc/85/36/97/661853697.db2.gz GAGCBBDBJCSSHN-KRWDZBQOSA-N 1 0 385.346 2.555 20 0 GFADRO COC[C@H]([NH2+]C[C@@](C)(O)c1ccc(Br)cc1F)C1CCOCC1 ZINC000852321170 661860373 /nfs/dbraw/zinc/86/03/73/661860373.db2.gz JKXBIPUGKMFHBB-DLBZAZTESA-N 1 0 390.293 2.827 20 0 GFADRO C[C@H]([NH3+])C1CCN(C(=O)c2cnn(-c3ccccc3)c2Br)CC1 ZINC000852796991 661874648 /nfs/dbraw/zinc/87/46/48/661874648.db2.gz WFSKRMYOROEZKM-LBPRGKRZSA-N 1 0 377.286 2.834 20 0 GFADRO O=C(N[C@H]1C[NH2+]CCC1(F)F)c1cc(-c2ccc(Br)cc2)no1 ZINC000852832135 661875461 /nfs/dbraw/zinc/87/54/61/661875461.db2.gz FUDZBBVRBOXPBZ-ZDUSSCGKSA-N 1 0 386.196 2.831 20 0 GFADRO CN(C(=O)C1=NO[C@H](C[NH3+])C1)[C@@H]1CCSc2ccc(Br)cc21 ZINC000852835436 661875570 /nfs/dbraw/zinc/87/55/70/661875570.db2.gz HTUIXXUONSSQMY-GXFFZTMASA-N 1 0 384.299 2.548 20 0 GFADRO CC(C)(C)n1cc(Br)c(C(=O)Nc2cnn(C3CC[NH2+]CC3)c2)n1 ZINC000852875797 661876233 /nfs/dbraw/zinc/87/62/33/661876233.db2.gz QCILVXWHWMCOID-UHFFFAOYSA-N 1 0 395.305 2.774 20 0 GFADRO O=C(c1cnn(-c2ccccc2)c1Br)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000852879571 661876382 /nfs/dbraw/zinc/87/63/82/661876382.db2.gz XHKIVEHEZSDAMO-GOSISDBHSA-N 1 0 389.297 2.851 20 0 GFADRO C[C@]1(C(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)CC1(Br)Br ZINC000852882743 661876487 /nfs/dbraw/zinc/87/64/87/661876487.db2.gz PKECAYYFVHYEFH-NQBHXWOUSA-N 1 0 394.151 2.731 20 0 GFADRO C[C@@]1(C(=O)N2CC3CCC2(C[NH3+])CC3)CC1(Br)Br ZINC000852892833 661876617 /nfs/dbraw/zinc/87/66/17/661876617.db2.gz BXKRJWVIXVXQGS-ZYXZCXLHSA-N 1 0 380.124 2.612 20 0 GFADRO Cc1cc(N2CC[C@@H]([NH2+]C[C@@H](O)c3ccccn3)C2=O)ccc1Br ZINC000853105770 661882484 /nfs/dbraw/zinc/88/24/84/661882484.db2.gz WQIYXBKSUGISMG-IAGOWNOFSA-N 1 0 390.281 2.581 20 0 GFADRO CN(C[C@@H](O)C[NH2+]C[C@@H](O)c1ccc(Cl)c(Cl)c1)C(=O)OC(C)(C)C ZINC000853115979 661882728 /nfs/dbraw/zinc/88/27/28/661882728.db2.gz FWMBAJJYJVIILM-SWLSCSKDSA-N 1 0 393.311 2.844 20 0 GFADRO Clc1nc2c(Br)c[nH]c2c(NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)n1 ZINC000853240358 661885989 /nfs/dbraw/zinc/88/59/89/661885989.db2.gz BHPMUXVJVLIXHE-BDAKNGLRSA-N 1 0 386.681 2.649 20 0 GFADRO CS[C@H]1CN(c2nc(Cl)nc3c(Br)c[nH]c32)C[C@H]1[NH+](C)C ZINC000853461578 661889540 /nfs/dbraw/zinc/88/95/40/661889540.db2.gz VFKBBMILSAZMGN-BDAKNGLRSA-N 1 0 390.738 2.856 20 0 GFADRO NC(=NOCc1csc(Cl)n1)c1ccccc1C[NH+]1CCC(O)CC1 ZINC000853664223 661896550 /nfs/dbraw/zinc/89/65/50/661896550.db2.gz LJRRCMBDFMJVJB-UHFFFAOYSA-N 1 0 380.901 2.800 20 0 GFADRO [NH3+]C1(Cc2nc(Cc3cc(Br)c4c(c3)OCCCO4)no2)CC1 ZINC000854146242 661916616 /nfs/dbraw/zinc/91/66/16/661916616.db2.gz HAWLWNRCKDWPHW-UHFFFAOYSA-N 1 0 380.242 2.618 20 0 GFADRO O=C(NCCCCC[NH+]1CCCC1)c1csc(I)n1 ZINC000854661116 661946594 /nfs/dbraw/zinc/94/65/94/661946594.db2.gz HVEIASMBWLECMR-UHFFFAOYSA-N 1 0 393.294 2.744 20 0 GFADRO CC(C)C[NH+]1CCN(C(=O)[C@@]2(C)CC2(Br)Br)CC1 ZINC000854298269 661922352 /nfs/dbraw/zinc/92/23/52/661922352.db2.gz ZFGKZBDTKODUPW-GFCCVEGCSA-N 1 0 382.140 2.683 20 0 GFADRO O=C(CC[C@@H]1CC1(Cl)Cl)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000854309196 661923649 /nfs/dbraw/zinc/92/36/49/661923649.db2.gz KXNMTWSXDSUKPL-QGZVFWFLSA-N 1 0 384.351 2.894 20 0 GFADRO Cc1nc(Br)sc1C(=O)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000854330644 661924959 /nfs/dbraw/zinc/92/49/59/661924959.db2.gz KTAIECITLMPIGU-GFCCVEGCSA-N 1 0 388.331 2.541 20 0 GFADRO C[NH+](C)C[C@H](CNC(=O)c1cc(Br)n[nH]1)c1ccc(Cl)cc1 ZINC000854432312 661933222 /nfs/dbraw/zinc/93/32/22/661933222.db2.gz MCOQGMGRDOJMOZ-NSHDSACASA-N 1 0 385.693 2.901 20 0 GFADRO CCC[N@H+](CC)C[C@H](C)NC(=O)c1csc(I)n1 ZINC000854535174 661939338 /nfs/dbraw/zinc/93/93/38/661939338.db2.gz RSTJPJXUDXPNOQ-VIFPVBQESA-N 1 0 381.283 2.598 20 0 GFADRO CC(C)C[C@H](NC(=O)C[C@]1(C)CC1(Cl)Cl)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000854633857 661944595 /nfs/dbraw/zinc/94/45/95/661944595.db2.gz YOZFPZWHEZPAJJ-JKIFEVAISA-N 1 0 392.371 2.654 20 0 GFADRO C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)c1cc(=O)c2cc(Br)ccc2o1 ZINC000854651458 661945646 /nfs/dbraw/zinc/94/56/46/661945646.db2.gz KGLZUHWMQFPZML-GXFFZTMASA-N 1 0 379.254 2.720 20 0 GFADRO COc1cc(/C=C\C(=O)N2CC[C@H]([NH+](C)C)[C@@H]2C)cc(Br)c1O ZINC000854655510 661945758 /nfs/dbraw/zinc/94/57/58/661945758.db2.gz QFEAMVZJAYYGCY-NCETYUCASA-N 1 0 383.286 2.728 20 0 GFADRO CCS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC[C@]3(CC[N@H+](C)C3)C2)c1 ZINC000854738352 661952377 /nfs/dbraw/zinc/95/23/77/661952377.db2.gz KLAJJXJLPSJPQE-GOSISDBHSA-N 1 0 384.929 2.692 20 0 GFADRO CN(CC[NH+]1CCCCC1)C(=O)[C@]1(C)CC1(Br)Br ZINC000855032947 661966601 /nfs/dbraw/zinc/96/66/01/661966601.db2.gz FZNKUABDKWSGKN-LBPRGKRZSA-N 1 0 382.140 2.827 20 0 GFADRO O=C(NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1nc(Cl)sc1Cl ZINC000855401778 661990479 /nfs/dbraw/zinc/99/04/79/661990479.db2.gz ACCBZPKCCLCTDS-GFCCVEGCSA-N 1 0 386.304 2.947 20 0 GFADRO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)CN1C(=S)N=NC1c1cccs1 ZINC000855897634 662011629 /nfs/dbraw/zinc/01/16/29/662011629.db2.gz FCYFMXIMPBUNGV-CYBMUJFWSA-N 1 0 379.555 2.532 20 0 GFADRO C[NH+](C)CCn1ncc(C(=O)NCC2SCCS2)c1-c1ccccc1 ZINC000856161536 662022612 /nfs/dbraw/zinc/02/26/12/662022612.db2.gz PCLSMKCFMQXNAP-UHFFFAOYSA-N 1 0 376.551 2.648 20 0 GFADRO CCc1sc(C(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)cc1Br ZINC000856255469 662026938 /nfs/dbraw/zinc/02/69/38/662026938.db2.gz HSYRROJABVXFGX-GFCCVEGCSA-N 1 0 387.343 2.744 20 0 GFADRO CC[C@@H]1CN(C(=O)/C=C\c2cc(Br)c(O)c(OC)c2)C[C@H](C)[NH2+]1 ZINC000856409337 662032128 /nfs/dbraw/zinc/03/21/28/662032128.db2.gz OAGOBUTXOMTBMJ-FRRIYSQJSA-N 1 0 383.286 2.775 20 0 GFADRO C[NH+](C)C[C@@H]1COC2(CCCC2)CN1C(=O)c1ccc(Br)nc1 ZINC000856409933 662032161 /nfs/dbraw/zinc/03/21/61/662032161.db2.gz DMTLMKHXUVBXDC-CQSZACIVSA-N 1 0 382.302 2.560 20 0 GFADRO COc1cc(C(=O)NC[C@@H]2CCC[N@H+](CC3CC3)C2)cnc1Br ZINC000856479842 662035409 /nfs/dbraw/zinc/03/54/09/662035409.db2.gz NVCMTYDXHHMVKU-ZDUSSCGKSA-N 1 0 382.302 2.705 20 0 GFADRO CC[N@H+](C)Cc1cc(O[C@@H]2CCN(C(=O)C3SCCCS3)C2)ccn1 ZINC000856626141 662037822 /nfs/dbraw/zinc/03/78/22/662037822.db2.gz RBNFQDXISFCFPF-MRXNPFEDSA-N 1 0 381.567 2.709 20 0 GFADRO COC(=O)N1CCC[C@H]([C@H](C)[NH2+]Cc2cc(OC)ncc2Br)C1 ZINC000856735881 662039939 /nfs/dbraw/zinc/03/99/39/662039939.db2.gz GELZBPUJVFNHBP-RYUDHWBXSA-N 1 0 386.290 2.809 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)N2CC(O)(c3cccc(Br)c3)C2)C1 ZINC000856875455 662048882 /nfs/dbraw/zinc/04/88/82/662048882.db2.gz HTPWIMWMCMDGKH-HZPDHXFCSA-N 1 0 396.329 2.535 20 0 GFADRO CC(C)[N@@H+]1CCCC[C@H]1COC(=O)c1c(Br)nc2n1CCOC2 ZINC000856953301 662054554 /nfs/dbraw/zinc/05/45/54/662054554.db2.gz KEUQADDRPVZDKM-LBPRGKRZSA-N 1 0 386.290 2.596 20 0 GFADRO CN(CC[N@H+](C)C1CCCCC1)C(=O)c1c(Br)nc2n1CCOC2 ZINC000857006918 662058036 /nfs/dbraw/zinc/05/80/36/662058036.db2.gz UCCPBFTZFYJIHT-UHFFFAOYSA-N 1 0 399.333 2.512 20 0 GFADRO C[C@H]([NH3+])CCNC(=O)N1CCC(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000857115021 662063892 /nfs/dbraw/zinc/06/38/92/662063892.db2.gz FQRODWPEECOZBL-LBPRGKRZSA-N 1 0 397.317 2.547 20 0 GFADRO C[NH+](C)CCCNC(=S)NCC(F)(F)c1ccc(Br)cc1 ZINC000857200877 662067679 /nfs/dbraw/zinc/06/76/79/662067679.db2.gz UIIWWIKGCHVZNJ-UHFFFAOYSA-N 1 0 380.302 2.957 20 0 GFADRO C[NH+](C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC[C@H]1CC1(Cl)Cl ZINC000857389678 662078449 /nfs/dbraw/zinc/07/84/49/662078449.db2.gz PWBARGSRONERRB-NWDGAFQWSA-N 1 0 382.332 2.532 20 0 GFADRO CC[NH+](CC)CCN(C(=O)/C=C(\C)c1cccs1)[C@H]1CCS(=O)(=O)C1 ZINC000857716170 662088671 /nfs/dbraw/zinc/08/86/71/662088671.db2.gz VFVCPVAAUAZDLZ-MDJJKAFGSA-N 1 0 384.567 2.509 20 0 GFADRO C[NH+](C)[C@@H]1CCc2cc(Br)ccc2N(C(=O)Cn2cccn2)C1 ZINC000857882401 662093563 /nfs/dbraw/zinc/09/35/63/662093563.db2.gz JTDQTBFUKBGLRW-OAHLLOKOSA-N 1 0 377.286 2.555 20 0 GFADRO CCCOc1c(Br)cc(C[NH2+][C@H](C)C(=O)N(C)OC)cc1OC ZINC000858326125 662108416 /nfs/dbraw/zinc/10/84/16/662108416.db2.gz VEILFJYNHMCQOW-LLVKDONJSA-N 1 0 389.290 2.744 20 0 GFADRO COc1cc(C[NH2+][C@H](C)C(=O)N(C)OC)cc(Br)c1OC(F)F ZINC000858325195 662108472 /nfs/dbraw/zinc/10/84/72/662108472.db2.gz OYEIQVGVQATBLI-MRVPVSSYSA-N 1 0 397.216 2.557 20 0 GFADRO COc1ccc(S(=O)(=O)N2CCC([NH2+][C@@H](C)c3ccns3)CC2)cc1 ZINC000858575978 662115455 /nfs/dbraw/zinc/11/54/55/662115455.db2.gz GVWPICUYHSXJNQ-ZDUSSCGKSA-N 1 0 381.523 2.656 20 0 GFADRO CC[NH+]1CCN([C@@H](C)CNC(=O)OCc2ccc(Br)cc2)CC1 ZINC000859120811 662138889 /nfs/dbraw/zinc/13/88/89/662138889.db2.gz IVULXFMQRSGRFL-AWEZNQCLSA-N 1 0 384.318 2.701 20 0 GFADRO Cn1nc(Cl)c(C(=O)NCCc2ccc(OCC[NH+](C)C)cc2)c1Cl ZINC000859211194 662145335 /nfs/dbraw/zinc/14/53/35/662145335.db2.gz JIXVUKXDIIXHRB-UHFFFAOYSA-N 1 0 385.295 2.640 20 0 GFADRO CC(C)CN(CC[NH+](C)C)C(=O)c1cc(Br)c2ncc(C=O)n2c1 ZINC000859222842 662146122 /nfs/dbraw/zinc/14/61/22/662146122.db2.gz VIGJRCCRPYPRGK-UHFFFAOYSA-N 1 0 395.301 2.569 20 0 GFADRO COC(=O)C[C@]1([NH2+]Cc2ccc(Br)c(F)c2F)CCCOC1 ZINC000859255492 662148031 /nfs/dbraw/zinc/14/80/31/662148031.db2.gz OADOFFOWMPZUND-OAHLLOKOSA-N 1 0 378.213 2.929 20 0 GFADRO O=C(Nc1cc2c(cc1Br)OCCO2)N[C@H]1CC[NH2+]C12CCC2 ZINC000859620776 662170142 /nfs/dbraw/zinc/17/01/42/662170142.db2.gz IRZSRXRXBRSPOG-AWEZNQCLSA-N 1 0 382.258 2.626 20 0 GFADRO C[NH+]1CCC(O)(CNC(=O)C(C)(C)[C@H](O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000859742464 662174170 /nfs/dbraw/zinc/17/41/70/662174170.db2.gz STAYXEPPISBSTJ-OAHLLOKOSA-N 1 0 389.323 2.626 20 0 GFADRO Cn1nc(Cl)c(C(=O)Nc2cccc(C[NH+]3CCC(O)CC3)c2)c1Cl ZINC000859904161 662178389 /nfs/dbraw/zinc/17/83/89/662178389.db2.gz WUZKSLBUNUIHPC-UHFFFAOYSA-N 1 0 383.279 2.936 20 0 GFADRO CC(C)[NH+]1CCC(O)(CNC(=O)c2ccc(SC(F)(F)F)nc2)CC1 ZINC000860050655 662184885 /nfs/dbraw/zinc/18/48/85/662184885.db2.gz AIJXWECUIDXQGF-UHFFFAOYSA-N 1 0 377.432 2.659 20 0 GFADRO CS[C@H]1CN(C(=O)c2cc(Br)cnc2F)C[C@H]1[NH+]1CCCC1 ZINC000860786324 662215612 /nfs/dbraw/zinc/21/56/12/662215612.db2.gz BMSHXVNQCQXCAN-OLZOCXBDSA-N 1 0 388.306 2.635 20 0 GFADRO CS[C@@H]1CN(C(=O)c2cc(Br)cc(C=O)c2)C[C@H]1[NH+]1CCCC1 ZINC000860785809 662215691 /nfs/dbraw/zinc/21/56/91/662215691.db2.gz KVEUNYYVAOZFQT-HZPDHXFCSA-N 1 0 397.338 2.913 20 0 GFADRO COCC[N@@H+]1CCC[C@H]1COC(=O)[C@@H](C)Oc1ccccc1Br ZINC000861034103 662225096 /nfs/dbraw/zinc/22/50/96/662225096.db2.gz HLERFKULXZWNMK-KGLIPLIRSA-N 1 0 386.286 2.870 20 0 GFADRO CO[C@@H]1C[N@H+](C)[C@](C)(COC(=O)Cc2c(F)ccc(Br)c2F)C1 ZINC000861353115 662242222 /nfs/dbraw/zinc/24/22/22/662242222.db2.gz QLEQYDBUJBOYDX-QFYYESIMSA-N 1 0 392.240 2.922 20 0 GFADRO C[C@H]([NH3+])CN(C)C(=O)NCCOc1ccc(Br)cc1C(F)(F)F ZINC000861615455 662251133 /nfs/dbraw/zinc/25/11/33/662251133.db2.gz OFMICPZVVHIOSX-VIFPVBQESA-N 1 0 398.223 2.835 20 0 GFADRO C[C@H]1C[C@H](NC(=O)C(=O)Nc2cccc(SC(F)(F)F)c2)CC[N@@H+]1C ZINC000861758318 662257889 /nfs/dbraw/zinc/25/78/89/662257889.db2.gz DTDOXGKIBYQSTD-CMPLNLGQSA-N 1 0 375.416 2.836 20 0 GFADRO CSC1(CNC(=O)C2CC(O)(c3cccc(Cl)c3)C2)CC[NH+](C)CC1 ZINC000861770227 662258095 /nfs/dbraw/zinc/25/80/95/662258095.db2.gz WPSSDRJGGBMATL-UHFFFAOYSA-N 1 0 382.957 2.881 20 0 GFADRO CC[C@H](C(=O)N1CC[N@H+](C)C[C@H](C(=O)OC)C1)c1ccc(Br)cc1 ZINC000861988436 662265676 /nfs/dbraw/zinc/26/56/76/662265676.db2.gz IUMDEOIDPSJMHB-HOCLYGCPSA-N 1 0 397.313 2.506 20 0 GFADRO CC[C@H]([NH2+]C[C@@H]1CC(F)(F)CN1C(=O)OC(C)(C)C)[C@H](O)C(F)(F)F ZINC000862291459 662279244 /nfs/dbraw/zinc/27/92/44/662279244.db2.gz JUYBZDVRMKNEOQ-DCAQKATOSA-N 1 0 376.366 2.923 20 0 GFADRO CC(C)(C)OC(=O)N1CC(F)(F)C[C@H]1C[N@H+](CCO)C1CCSCC1 ZINC000862388068 662284420 /nfs/dbraw/zinc/28/44/20/662284420.db2.gz WJQUNMIVNHXFLN-AWEZNQCLSA-N 1 0 380.501 2.821 20 0 GFADRO COc1ncc(Br)cc1C[NH2+]C1CC(NC(=O)OC(C)(C)C)C1 ZINC000862484144 662288730 /nfs/dbraw/zinc/28/87/30/662288730.db2.gz DJRCYXBACNRFFW-UHFFFAOYSA-N 1 0 386.290 2.998 20 0 GFADRO COC(=O)c1cn(C[N@@H+]2C[C@H](c3ccc(Br)cc3)C[C@H]2C)nn1 ZINC000863323303 662320617 /nfs/dbraw/zinc/32/06/17/662320617.db2.gz KBAWMVKWFADOKG-DGCLKSJQSA-N 1 0 379.258 2.663 20 0 GFADRO [NH3+]C[C@@H]1CN(Cc2ccc(S(=O)(=O)C(F)F)cc2)CC[C@@H]1C(F)(F)F ZINC000863552307 662336213 /nfs/dbraw/zinc/33/62/13/662336213.db2.gz LGGDWSWYXWBNSS-YPMHNXCESA-N 1 0 386.386 2.642 20 0 GFADRO O=C1Nc2ccc(Br)cc2CC[C@H]1N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000863544621 662336338 /nfs/dbraw/zinc/33/63/38/662336338.db2.gz ZHEIUAHRBAMDEM-SJLPKXTDSA-N 1 0 378.314 2.778 20 0 GFADRO [NH3+]C[C@@H]1CCCN(CCS(=O)(=O)c2ccc(Cl)cc2)[C@@H]1C(F)(F)F ZINC000863559204 662336540 /nfs/dbraw/zinc/33/65/40/662336540.db2.gz IQNXZBKJMZGJFX-FZMZJTMJSA-N 1 0 384.851 2.715 20 0 GFADRO COc1cc(Br)c(Cc2noc(C3=CC[C@@H]([NH3+])C3)n2)cc1OC ZINC000863668990 662343206 /nfs/dbraw/zinc/34/32/06/662343206.db2.gz SLQDTIDGSNCZLX-LLVKDONJSA-N 1 0 380.242 2.945 20 0 GFADRO O=C(NC[C@@H]1CC[N@@H+]1C1CCCCC1)c1cccnc1I ZINC000863936410 662350532 /nfs/dbraw/zinc/35/05/32/662350532.db2.gz MJRUMCBSGSBTOO-ZDUSSCGKSA-N 1 0 399.276 2.823 20 0 GFADRO C[NH+](C)[C@@H]1C[C@H](NC(=O)[C@@]2(C)CC2(Br)Br)C12CCC2 ZINC000864069797 662353458 /nfs/dbraw/zinc/35/34/58/662353458.db2.gz IEBMAFZTRYCQHT-HOSYDEDBSA-N 1 0 394.151 2.872 20 0 GFADRO C[C@@]1(C(=O)N[C@H]2CC[NH2+]CC(C)(C)C2)CC1(Br)Br ZINC000864087199 662354060 /nfs/dbraw/zinc/35/40/60/662354060.db2.gz NXWWCKSXRMBWRX-CABZTGNLSA-N 1 0 382.140 2.777 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(Br)ncc1Br ZINC000864609664 662381337 /nfs/dbraw/zinc/38/13/37/662381337.db2.gz BOAKLEWPCMUJLP-SECBINFHSA-N 1 0 391.107 2.821 20 0 GFADRO O=C(c1cc2c(ccnc2Cl)s1)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000864631709 662381955 /nfs/dbraw/zinc/38/19/55/662381955.db2.gz WQVTUWZKMKMNOX-UHFFFAOYSA-N 1 0 378.929 2.803 20 0 GFADRO O=C(c1cc(Br)cn2ccnc12)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000865057530 662396508 /nfs/dbraw/zinc/39/65/08/662396508.db2.gz GLARQXTVXYOWBD-AWEZNQCLSA-N 1 0 377.286 2.797 20 0 GFADRO Fc1cc(OC(F)F)ccc1C[NH2+]C[C@@]1(N2CCOCC2)CCSC1 ZINC000865426309 662420883 /nfs/dbraw/zinc/42/08/83/662420883.db2.gz KBFOABOJSWREPU-KRWDZBQOSA-N 1 0 376.444 2.725 20 0 GFADRO Fc1cc(Br)ccc1CC[NH2+]Cc1cn(C[C@H]2CCCO2)nn1 ZINC000865456893 662422700 /nfs/dbraw/zinc/42/27/00/662422700.db2.gz UNZCTIREPBBOEW-OAHLLOKOSA-N 1 0 383.265 2.691 20 0 GFADRO CN(C)[C@@]1(C[NH2+]C[C@@H](CC(F)(F)F)NC(=O)OC(C)(C)C)CCSC1 ZINC000865483464 662424390 /nfs/dbraw/zinc/42/43/90/662424390.db2.gz RZIMMKCRHBBODD-IUODEOHRSA-N 1 0 385.496 2.859 20 0 GFADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]CC[C@H]1CCCS1 ZINC000865725634 662439171 /nfs/dbraw/zinc/43/91/71/662439171.db2.gz ATGAGRDUORFWHD-CHWSQXEVSA-N 1 0 377.963 2.580 20 0 GFADRO Cn1ncc(I)c1C[NH2+]C[C@H]1CCOc2ccccc21 ZINC000865869093 662448736 /nfs/dbraw/zinc/44/87/36/662448736.db2.gz WHOVSMZEGBKKNK-LLVKDONJSA-N 1 0 383.233 2.681 20 0 GFADRO C/C(=C\c1ccc(Br)o1)C(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000866092180 662460298 /nfs/dbraw/zinc/46/02/98/662460298.db2.gz GHGQLMBKEQHANS-UELRPHRMSA-N 1 0 383.286 2.626 20 0 GFADRO CSc1ccccc1[C@H]([NH2+]C[C@]1(O)CCS(=O)(=O)C1)c1ccccc1 ZINC000866365549 662469118 /nfs/dbraw/zinc/46/91/18/662469118.db2.gz XRVBXOUVNRFQQN-RTBURBONSA-N 1 0 377.531 2.637 20 0 GFADRO CCOC(=O)C(F)(F)[C@H]1CC[C@@H]([NH2+]Cc2c(Br)cnn2C)C1 ZINC000866431178 662472900 /nfs/dbraw/zinc/47/29/00/662472900.db2.gz JTOWVCBBXYTTNT-VHSXEESVSA-N 1 0 380.233 2.639 20 0 GFADRO O=C1OC[C@]2(C[NH2+][C@H]3CCSc4ccc(Br)cc43)COCCN12 ZINC000866519680 662478393 /nfs/dbraw/zinc/47/83/93/662478393.db2.gz UKAHHOWJNBVKLE-BBRMVZONSA-N 1 0 399.310 2.797 20 0 GFADRO O=C1OC[C@]2(C[NH2+][C@@H](c3ccc(Br)cc3)C3CC3)COCCN12 ZINC000866524918 662478928 /nfs/dbraw/zinc/47/89/28/662478928.db2.gz NMFWCQBYSYKTCS-WBVHZDCISA-N 1 0 381.270 2.711 20 0 GFADRO Cc1ccc(Br)c(CS(=O)(=O)N[C@H](C)[C@@H]2CCC[NH2+]C2)c1 ZINC000866739212 662493362 /nfs/dbraw/zinc/49/33/62/662493362.db2.gz ZLDCZZKELBXKDD-CHWSQXEVSA-N 1 0 375.332 2.565 20 0 GFADRO [NH3+][C@@H]1CN(S(=O)(=O)c2cc(Cl)cnc2Cl)C[C@H]1c1ccccc1F ZINC000866771420 662496292 /nfs/dbraw/zinc/49/62/92/662496292.db2.gz DMWGUNNDTZXPGN-WCQYABFASA-N 1 0 390.267 2.643 20 0 GFADRO C[C@@H]1CCCN(S(=O)(=O)c2cc3nc(Cl)ncc3s2)[C@@H]1CCC[NH3+] ZINC000866777746 662497377 /nfs/dbraw/zinc/49/73/77/662497377.db2.gz NCDWEUVIKSNRLJ-ZYHUDNBSSA-N 1 0 388.946 2.873 20 0 GFADRO [NH3+]C[C@@H]1CN(S(=O)(=O)Cc2ccc(F)cc2Cl)CC[C@@H]1C(F)(F)F ZINC000866778943 662497657 /nfs/dbraw/zinc/49/76/57/662497657.db2.gz GEZQYKNFJDZHHF-PWSUYJOCSA-N 1 0 388.814 2.768 20 0 GFADRO [NH3+]C[C@H]1CN(S(=O)(=O)c2ccc3onc(Cl)c3c2)CC[C@@H]1C(F)(F)F ZINC000866779706 662497701 /nfs/dbraw/zinc/49/77/01/662497701.db2.gz SCGZBNVDQJDVGS-KWQFWETISA-N 1 0 397.806 2.629 20 0 GFADRO O=S(=O)(c1ccc(Br)cc1Cl)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000866829925 662502599 /nfs/dbraw/zinc/50/25/99/662502599.db2.gz AHKSQPJBNMMFRB-NEPJUHHUSA-N 1 0 379.707 2.618 20 0 GFADRO C[C@]1(CS(=O)(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CC1(Cl)Cl ZINC000866993540 662515202 /nfs/dbraw/zinc/51/52/02/662515202.db2.gz FHZFGQAZASOZMO-NWANDNLSSA-N 1 0 381.369 2.849 20 0 GFADRO C[N@@H+]1CCC[C@]2(CCN(S(=O)(=O)c3ccc4ccnc(Cl)c4c3)C2)C1 ZINC000867308561 662541025 /nfs/dbraw/zinc/54/10/25/662541025.db2.gz KBFBWSWBLAKSQL-SFHVURJKSA-N 1 0 379.913 2.995 20 0 GFADRO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000867376451 662546269 /nfs/dbraw/zinc/54/62/69/662546269.db2.gz RNROUZLNXTVJAN-BBRMVZONSA-N 1 0 384.307 2.504 20 0 GFADRO C[NH+]1CCC2(CCN(S(=O)(=O)c3c(Cl)ccnc3Cl)CC2)CC1 ZINC000867618514 662563247 /nfs/dbraw/zinc/56/32/47/662563247.db2.gz HMZJYAVAYKZJOQ-UHFFFAOYSA-N 1 0 378.325 2.885 20 0 GFADRO C[NH+](C)C1(C)CCC(NS(=O)(=O)c2cc3c(cc2Cl)OCCO3)CC1 ZINC000867744004 662571928 /nfs/dbraw/zinc/57/19/28/662571928.db2.gz NMTXJURZRARKBF-UHFFFAOYSA-N 1 0 388.917 2.652 20 0 GFADRO COc1cc(Cl)c(S(=O)(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)cc1Cl ZINC000867812295 662579268 /nfs/dbraw/zinc/57/92/68/662579268.db2.gz JJNINDGNWIVGHF-ZWNOBZJWSA-N 1 0 379.309 2.717 20 0 GFADRO CSc1cc(C(=O)N2CCC[C@](O)(C[NH+](C)C)C2)ccc1Br ZINC000867847767 662581980 /nfs/dbraw/zinc/58/19/80/662581980.db2.gz HGAXZDWYTIIXKP-INIZCTEOSA-N 1 0 387.343 2.700 20 0 GFADRO CC(C)n1ncc(C(=O)N2CC[N@@H+](C3CCOCC3)C[C@H]2C)c1Br ZINC000867878816 662584672 /nfs/dbraw/zinc/58/46/72/662584672.db2.gz PYCWUNOCDTWCDB-CYBMUJFWSA-N 1 0 399.333 2.552 20 0 GFADRO COc1cc(I)ccc1C(=O)N(C)C1CCC([NH3+])CC1 ZINC000867961817 662589555 /nfs/dbraw/zinc/58/95/55/662589555.db2.gz ZSFNTKGNTDQPIF-UHFFFAOYSA-N 1 0 388.249 2.642 20 0 GFADRO CCc1nn(C)c(CC)c1CNC(=O)[C@H]([NH3+])c1cccc(Br)c1 ZINC000867978342 662590298 /nfs/dbraw/zinc/59/02/98/662590298.db2.gz YJWUPGFXAACTQR-MRXNPFEDSA-N 1 0 379.302 2.624 20 0 GFADRO [NH3+]CC[C@H](NC(=O)[C@H]1[C@@H]2c3cc(Br)ccc3C[C@H]12)C(F)(F)F ZINC000867980537 662590458 /nfs/dbraw/zinc/59/04/58/662590458.db2.gz VVJZOMQVJHWJQH-WUHRBBMRSA-N 1 0 377.204 2.731 20 0 GFADRO O=C(Nc1cnc(Br)c(Br)c1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000868131908 662595482 /nfs/dbraw/zinc/59/54/82/662595482.db2.gz KIYQOEJIZQXTDD-OCAPTIKFSA-N 1 0 390.079 2.575 20 0 GFADRO O=C(Nc1cccc(F)c1I)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000868139076 662595793 /nfs/dbraw/zinc/59/57/93/662595793.db2.gz OSGMGERVKZTMFT-ZYHUDNBSSA-N 1 0 389.212 2.789 20 0 GFADRO Cc1cc(I)cc(NC(=O)N2CCC[C@@H]3[NH2+]CC[C@@H]32)c1 ZINC000868157448 662597017 /nfs/dbraw/zinc/59/70/17/662597017.db2.gz DXPFLLQZYMTPAY-KBPBESRZSA-N 1 0 385.249 2.958 20 0 GFADRO CN(CCOCC[NH3+])C(=O)Nc1ccc(Br)c(Br)c1 ZINC000868204552 662598573 /nfs/dbraw/zinc/59/85/73/662598573.db2.gz QNIAUHMHUPDOFW-UHFFFAOYSA-N 1 0 395.095 2.651 20 0 GFADRO [NH3+][C@@H]1C[C@H]1c1ccc(NC(=O)C(=O)NCc2ccc(Br)s2)cc1 ZINC000868226446 662599105 /nfs/dbraw/zinc/59/91/05/662599105.db2.gz CDULFDJYZHHCAF-QWHCGFSZSA-N 1 0 394.294 2.580 20 0 GFADRO [NH3+][C@@H]1C[C@H]1c1ccc(NC(=O)C(=O)NCc2csc(Br)c2)cc1 ZINC000868226849 662599157 /nfs/dbraw/zinc/59/91/57/662599157.db2.gz KFAJFBUPWHPZDL-QWHCGFSZSA-N 1 0 394.294 2.580 20 0 GFADRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)NCc2ncc(Br)s2)C1 ZINC000868394493 662604034 /nfs/dbraw/zinc/60/40/34/662604034.db2.gz UDTRKXKVEVLMMS-NSHDSACASA-N 1 0 375.336 2.683 20 0 GFADRO CCN(C(=O)c1ccc(I)cc1O)C1CC[NH+](C)CC1 ZINC000868697425 662615285 /nfs/dbraw/zinc/61/52/85/662615285.db2.gz MYZJHXRJWKBFLE-UHFFFAOYSA-N 1 0 388.249 2.553 20 0 GFADRO CC(=O)N[C@H](C(=O)N(C)[C@@H]1CC[N@@H+](C(C)C)C1)c1cccc(Br)c1 ZINC000868809279 662620260 /nfs/dbraw/zinc/62/02/60/662620260.db2.gz IGSQSMHFUMGVTP-SJORKVTESA-N 1 0 396.329 2.567 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(C(=O)NCc3ccc(Br)c(F)c3F)CC[C@@H]21 ZINC000868810675 662620432 /nfs/dbraw/zinc/62/04/32/662620432.db2.gz SWZQZRFJADHSPF-YPMHNXCESA-N 1 0 388.256 2.963 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(C(=O)N[C@@H]3[C@@H]4Cc5c(cccc5Br)[C@@H]43)CC[C@@H]21 ZINC000868844637 662621873 /nfs/dbraw/zinc/62/18/73/662621873.db2.gz RYNDQLKFZWBSIB-IERSGTSRSA-N 1 0 390.325 2.823 20 0 GFADRO O=C(NCCSCCC(F)(F)F)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000869064339 662628492 /nfs/dbraw/zinc/62/84/92/662628492.db2.gz XLHKCZOPLFPXDZ-AWEZNQCLSA-N 1 0 383.480 2.615 20 0 GFADRO O=C(NCc1ncc(Br)s1)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000869195689 662634650 /nfs/dbraw/zinc/63/46/50/662634650.db2.gz YVLLRUWUANGVBN-CYBMUJFWSA-N 1 0 395.326 2.979 20 0 GFADRO CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)c2cc(Cl)c(F)cc2Br)C1 ZINC000869777998 662661309 /nfs/dbraw/zinc/66/13/09/662661309.db2.gz SJLGANMGCSJXGT-VIFPVBQESA-N 1 0 393.684 2.817 20 0 GFADRO CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)c2cccc(Br)c2Cl)C1 ZINC000869778999 662661542 /nfs/dbraw/zinc/66/15/42/662661542.db2.gz OPAWJPLFZVFIBR-JTQLQIEISA-N 1 0 375.694 2.678 20 0 GFADRO C[NH+](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)OCc1ccc(Cl)nc1Cl ZINC000869832794 662663664 /nfs/dbraw/zinc/66/36/64/662663664.db2.gz OFZQOJYOMDITIG-NSHDSACASA-N 1 0 392.283 2.887 20 0 GFADRO CC(C)n1ncc(C(=O)OC[C@@H]2CC[N@H+](C)[C@@H]2C)c1I ZINC000870453476 662690797 /nfs/dbraw/zinc/69/07/97/662690797.db2.gz NWJWBGVAFNWUIP-MNOVXSKESA-N 1 0 391.253 2.566 20 0 GFADRO [NH3+][C@@H](C(=O)N1CCN(c2ccccc2O)CC1)c1cccc(Br)c1 ZINC000870854934 662703637 /nfs/dbraw/zinc/70/36/37/662703637.db2.gz LWBRKEYHZLZDKB-QGZVFWFLSA-N 1 0 390.281 2.503 20 0 GFADRO [NH3+][C@H]1CC[C@H](C(=O)NC[C@@H]2CCN(c3cccc(Br)c3)C2)CC1 ZINC000870873183 662704144 /nfs/dbraw/zinc/70/41/44/662704144.db2.gz DGHCMIMGYFVYRW-DZKIICNBSA-N 1 0 380.330 2.909 20 0 GFADRO [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)NCC2(c3ccc(Br)cc3)CCOCC2)C1 ZINC000870878729 662704611 /nfs/dbraw/zinc/70/46/11/662704611.db2.gz QRXNGSHZEDPDOK-ZSZQSSIHSA-N 1 0 393.325 2.741 20 0 GFADRO C[NH+](C)C1(C(=O)Nc2ccc(N3CC[C@H](CO)C3)c(Br)c2)CCC1 ZINC000870887462 662705052 /nfs/dbraw/zinc/70/50/52/662705052.db2.gz BNXHTMVRZBIVRY-ZDUSSCGKSA-N 1 0 396.329 2.691 20 0 GFADRO C[C@H](NC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2)c1nc(-c2ccc(Br)cc2)no1 ZINC000870906524 662707740 /nfs/dbraw/zinc/70/77/40/662707740.db2.gz OLKDZSSEAUVLQG-GIKBXGENSA-N 1 0 391.269 2.804 20 0 GFADRO [NH3+][C@H](C(=O)Nc1cc(CSCCO)ccn1)c1cccc(Br)c1 ZINC000870909308 662707755 /nfs/dbraw/zinc/70/77/55/662707755.db2.gz CRQZWTTVHKFUPA-HNNXBMFYSA-N 1 0 396.310 2.708 20 0 GFADRO [NH3+][C@H](C(=O)N1CC[C@H](OCc2ccncc2)C1)c1cccc(Br)c1 ZINC000870930338 662708763 /nfs/dbraw/zinc/70/87/63/662708763.db2.gz NEOQYMYSBVLFDW-IRXDYDNUSA-N 1 0 390.281 2.662 20 0 GFADRO COc1cc(I)ccc1C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000870943308 662709867 /nfs/dbraw/zinc/70/98/67/662709867.db2.gz ZGUJCGOFEVRUPD-NSHDSACASA-N 1 0 388.249 2.501 20 0 GFADRO [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)NCc2cc(Cl)ccc2I)C1 ZINC000870951676 662711268 /nfs/dbraw/zinc/71/12/68/662711268.db2.gz DNLIMHBZNWBRSK-DRCTWCGVSA-N 1 0 390.652 2.688 20 0 GFADRO CC(C)[NH+]1CCC(CCNC(=O)c2c(Br)nc3n2CCC3)CC1 ZINC000870953108 662711493 /nfs/dbraw/zinc/71/14/93/662711493.db2.gz KMPFZLCMVBLEFQ-UHFFFAOYSA-N 1 0 383.334 2.832 20 0 GFADRO CC(C)n1ncc(-c2nc([C@@H]3CCC[NH2+]C3)no2)c1I ZINC000871788683 662733916 /nfs/dbraw/zinc/73/39/16/662733916.db2.gz BKXAZLFLGCKJBV-SECBINFHSA-N 1 0 387.225 2.586 20 0 GFADRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2ccc3ccnc(Cl)c3c2)C[C@@H]1C(F)(F)F ZINC000871812462 662735146 /nfs/dbraw/zinc/73/51/46/662735146.db2.gz HDFLQNMKUOHMOM-MFKMUULPSA-N 1 0 393.818 2.646 20 0 GFADRO Cc1c2cc(F)ccc2oc1S(=O)(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000871813138 662735337 /nfs/dbraw/zinc/73/53/37/662735337.db2.gz GGONICQRSHVUET-CABZTGNLSA-N 1 0 380.363 2.638 20 0 GFADRO COC(=O)c1sc2ccccc2c1S(=O)(=O)N(C)CCCCCC[NH3+] ZINC000871821357 662735881 /nfs/dbraw/zinc/73/58/81/662735881.db2.gz QDJMPQPXTAEOLR-UHFFFAOYSA-N 1 0 384.523 2.828 20 0 GFADRO CN(CCCCCC[NH3+])S(=O)(=O)c1cc2c(cc1Cl)CCCC(=O)N2 ZINC000871822779 662736033 /nfs/dbraw/zinc/73/60/33/662736033.db2.gz JCJBMWMGZMJUDA-UHFFFAOYSA-N 1 0 387.933 2.754 20 0 GFADRO CC(C)(O)C[C@@H](O)C[NH2+]Cc1cc(Cl)ccc1I ZINC000871982298 662748993 /nfs/dbraw/zinc/74/89/93/662748993.db2.gz JWYFAHQCDYVKHD-LLVKDONJSA-N 1 0 383.657 2.556 20 0 GFADRO O[C@H](C[NH2+][C@@H](c1cccc(Br)c1)[C@@H]1CCOC1)COCC1CC1 ZINC000872031804 662754382 /nfs/dbraw/zinc/75/43/82/662754382.db2.gz TYQNMABPEYLPPO-NXHRZFHOSA-N 1 0 384.314 2.904 20 0 GFADRO CC(C)(C)S(=O)(=O)CC[NH2+]C[C@H](O)COc1cc(Cl)cc(Cl)c1 ZINC000872201836 662757782 /nfs/dbraw/zinc/75/77/82/662757782.db2.gz JMIMLCLEYISUIJ-ZDUSSCGKSA-N 1 0 384.325 2.536 20 0 GFADRO O[C@H](C[NH2+]C[C@@H]1CC2(CO1)CCOCC2)COc1ccc(Cl)c(Cl)c1 ZINC000872231690 662758638 /nfs/dbraw/zinc/75/86/38/662758638.db2.gz RHGYGPFBAJMJHS-HIFRSBDPSA-N 1 0 390.307 2.908 20 0 GFADRO O[C@H](C[NH2+]C[C@@H]1CC2(CO1)CCOCC2)COc1c(Cl)cccc1Cl ZINC000872232218 662758669 /nfs/dbraw/zinc/75/86/69/662758669.db2.gz XKHXRDFYIYBAKP-KGLIPLIRSA-N 1 0 390.307 2.908 20 0 GFADRO CS(=O)(=O)N(CC(F)(F)F)C1CCN(c2cc[nH+]cc2C2CC2)CC1 ZINC000872452767 662768302 /nfs/dbraw/zinc/76/83/02/662768302.db2.gz CWQOTNAKTLOMAA-UHFFFAOYSA-N 1 0 377.432 2.752 20 0 GFADRO CCC1([NH+](C)C)CCN(Cn2nc(Br)nc2Br)CC1 ZINC000872670671 662784557 /nfs/dbraw/zinc/78/45/57/662784557.db2.gz HTIDBAGRBYROOE-UHFFFAOYSA-N 1 0 395.143 2.567 20 0 GFADRO O=c1c(Br)nn(C[N@@H+]2CC[C@@H]3CSC[C@@H]3C2)c2ccccc12 ZINC000872720962 662786384 /nfs/dbraw/zinc/78/63/84/662786384.db2.gz FHEAFSDPJGALDB-NEPJUHHUSA-N 1 0 380.311 2.801 20 0 GFADRO Fc1cccc(C[NH2+]CCCO[C@@H]2CCOC2)c1I ZINC000873075003 662798801 /nfs/dbraw/zinc/79/88/01/662798801.db2.gz PQTCCOALIRFUJT-GFCCVEGCSA-N 1 0 379.213 2.716 20 0 GFADRO CC(=O)N1CCC[C@H](C[NH2+]Cc2cccc(F)c2I)C1 ZINC000873118821 662800574 /nfs/dbraw/zinc/80/05/74/662800574.db2.gz UWPFRKBJNQAFCP-GFCCVEGCSA-N 1 0 390.240 2.778 20 0 GFADRO Cn1c2ccccc2c(Br)c1CNC1(CCO)CC[NH+](C)CC1 ZINC000873134844 662801118 /nfs/dbraw/zinc/80/11/18/662801118.db2.gz VHUDYUBMYYWCJR-UHFFFAOYSA-N 1 0 380.330 2.877 20 0 GFADRO C[C@H](NCc1cccc(-n2cc(C[NH3+])nn2)c1)c1nc(Br)cs1 ZINC000873242361 662804557 /nfs/dbraw/zinc/80/45/57/662804557.db2.gz ANSSLSKCZIETBA-JTQLQIEISA-N 1 0 393.314 2.796 20 0 GFADRO COc1cc(Br)c(NC(=O)N[C@@]23CCC[C@H]2[NH2+]CC3)cc1OC ZINC000873302216 662804973 /nfs/dbraw/zinc/80/49/73/662804973.db2.gz CFYGUOSLOJZKQS-GDBMZVCRSA-N 1 0 384.274 2.872 20 0 GFADRO COc1cc(OC)c(NC(=O)N[C@]23CCC[C@@H]2[NH2+]CC3)cc1Br ZINC000873319969 662805396 /nfs/dbraw/zinc/80/53/96/662805396.db2.gz NGHHPKRIXYNBKY-HOCLYGCPSA-N 1 0 384.274 2.872 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)Nc2ncc(C3CCOCC3)s2)C[C@H]1C(F)(F)F ZINC000873329148 662805650 /nfs/dbraw/zinc/80/56/50/662805650.db2.gz UATQLWHOTJEWKV-WDEREUQCSA-N 1 0 378.420 2.638 20 0 GFADRO CCO[C@H](CC[NH+](C)C)CNC(=O)C(=O)Nc1cc(Cl)cc(Cl)c1F ZINC000873760428 662813379 /nfs/dbraw/zinc/81/33/79/662813379.db2.gz CYXBSXMAAXIBRC-LLVKDONJSA-N 1 0 394.274 2.544 20 0 GFADRO C[N@@H+]1CCCC[C@H](CNC(=O)C(=O)Nc2cc(Cl)cc(Cl)c2F)C1 ZINC000873954082 662819675 /nfs/dbraw/zinc/81/96/75/662819675.db2.gz AXOKZJCJINQUPK-SNVBAGLBSA-N 1 0 376.259 2.919 20 0 GFADRO C[C@H]1C[NH+](Cc2ccc(CNC(=O)C3(Br)CC3)cc2)C[C@H](C)O1 ZINC000873991385 662820654 /nfs/dbraw/zinc/82/06/54/662820654.db2.gz NIRXRHGJFSSTIY-KBPBESRZSA-N 1 0 381.314 2.840 20 0 GFADRO C[NH+](C)CCOc1ccc(NC(=O)c2cc(N)nc(Br)c2)cc1 ZINC000874087941 662822337 /nfs/dbraw/zinc/82/23/37/662822337.db2.gz VXOIGMPHTJJYIJ-UHFFFAOYSA-N 1 0 379.258 2.619 20 0 GFADRO C[NH+](C)C1(C)CCC(NC(=O)C(=O)Nc2cc(Cl)c(N)c(Cl)c2)CC1 ZINC000874121590 662823214 /nfs/dbraw/zinc/82/32/14/662823214.db2.gz CMCMZFXXLPEIQH-UHFFFAOYSA-N 1 0 387.311 2.893 20 0 GFADRO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)C(=O)Nc1nc(-c2cccs2)cs1 ZINC000874370371 662830377 /nfs/dbraw/zinc/83/03/77/662830377.db2.gz XOKZGVBNWZDFIA-QWHCGFSZSA-N 1 0 376.507 2.505 20 0 GFADRO CCn1ncc(C(=O)N(Cc2ccco2)C2CC[NH+](C)CC2)c1Br ZINC000874466766 662831778 /nfs/dbraw/zinc/83/17/78/662831778.db2.gz ULBUNPVTWHONLU-UHFFFAOYSA-N 1 0 395.301 2.995 20 0 GFADRO CNc1cc(I)ccc1C(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2C ZINC000874825581 662837415 /nfs/dbraw/zinc/83/74/15/662837415.db2.gz QHLHTHIAPFLMDG-LSDHHAIUSA-N 1 0 399.276 2.642 20 0 GFADRO Cn1nc2cc(Br)ccc2c1C(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2C ZINC000874827232 662837606 /nfs/dbraw/zinc/83/76/06/662837606.db2.gz YDWZFRYYNAJIHG-CABCVRRESA-N 1 0 377.286 2.645 20 0 GFADRO COc1cc(Br)c(C(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3C)cc1OC ZINC000874827344 662837650 /nfs/dbraw/zinc/83/76/50/662837650.db2.gz RDITXWIBAICFMN-KBPBESRZSA-N 1 0 383.286 2.775 20 0 GFADRO C[N@@H+]1CCC[C@H]2[C@H]1CCN2C(=O)Cc1ccccc1I ZINC000874837515 662837884 /nfs/dbraw/zinc/83/78/84/662837884.db2.gz KNGFXVUIFKRAGD-CABCVRRESA-N 1 0 384.261 2.529 20 0 GFADRO CC[NH+]1CCC(NC(=O)N[C@@](C)(CO)Cc2ccc(Br)cc2)CC1 ZINC000875005273 662840708 /nfs/dbraw/zinc/84/07/08/662840708.db2.gz MWMQMFDTSQXCCC-GOSISDBHSA-N 1 0 398.345 2.526 20 0 GFADRO Cn1cc([C@H]2C[N@H+](C)CC[C@H]2C(=O)Nc2ccc(F)cc2Br)cn1 ZINC000875179019 662843018 /nfs/dbraw/zinc/84/30/18/662843018.db2.gz YXUVNBFCGZTYQJ-ZIAGYGMSSA-N 1 0 395.276 2.996 20 0 GFADRO Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)NCCc1ccc(Br)s1 ZINC000876571393 662862918 /nfs/dbraw/zinc/86/29/18/662862918.db2.gz KEESVTJORQNSGW-GFCCVEGCSA-N 1 0 397.342 2.913 20 0 GFADRO O=C(Nc1ccnn1Cc1cccc(Br)c1)[C@H](F)[C@@H]1CC[NH2+]C1 ZINC000876603622 662863278 /nfs/dbraw/zinc/86/32/78/662863278.db2.gz YNFQZOBFECTRBG-IUODEOHRSA-N 1 0 381.249 2.580 20 0 GFADRO COc1cc(Br)c(CNC(=O)[C@]23CCC[C@H]2[NH2+]CC3)cc1OC ZINC000876643038 662864129 /nfs/dbraw/zinc/86/41/29/662864129.db2.gz RVHZPOPRXXGFIC-WBVHZDCISA-N 1 0 383.286 2.615 20 0 GFADRO COc1cccc(C[C@H]([NH3+])C(=O)NC[C@H](O)c2ccc(Cl)cc2Cl)c1 ZINC000876657559 662864483 /nfs/dbraw/zinc/86/44/83/662864483.db2.gz HRNMNGPMRBNCHA-IRXDYDNUSA-N 1 0 383.275 2.722 20 0 GFADRO O=C(CCC12CC(C1)C[NH2+]2)NC[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000876732957 662865491 /nfs/dbraw/zinc/86/54/91/662865491.db2.gz KKCQNSPRQNSCCS-TZGCNFNXSA-N 1 0 392.341 2.924 20 0 GFADRO C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000876735271 662865617 /nfs/dbraw/zinc/86/56/17/662865617.db2.gz CIRGOOMJOOZGSB-WBHPJMSGSA-N 1 0 392.341 2.803 20 0 GFADRO CC(C)n1ncc(C(=O)Nc2cnc3c(c2)C[C@@H]([NH3+])CC3)c1Br ZINC000876794379 662866548 /nfs/dbraw/zinc/86/65/48/662866548.db2.gz UVBXIXCLLUQLIM-NSHDSACASA-N 1 0 378.274 2.690 20 0 GFADRO O=C(NC[C@@H]1C[NH2+]CCCO1)C1(c2cc(Cl)cc(Br)c2)CC1 ZINC000876869850 662867541 /nfs/dbraw/zinc/86/75/41/662867541.db2.gz IZOXSBCEGVJXPO-AWEZNQCLSA-N 1 0 387.705 2.629 20 0 GFADRO CCOC(=O)Nc1ccc(Br)cc1NC(=O)[C@@H](F)[C@@H]1CC[NH2+]C1 ZINC000876896343 662867813 /nfs/dbraw/zinc/86/78/13/662867813.db2.gz AXJZCKINFHNCMP-RNCFNFMXSA-N 1 0 388.237 2.904 20 0 GFADRO CCn1cnnc1C[NH2+][C@H]1CCN(C)[C@H](c2ccc(Br)cc2)C1 ZINC000876935491 662868351 /nfs/dbraw/zinc/86/83/51/662868351.db2.gz SWHXSZSEXKFAFK-HOTGVXAUSA-N 1 0 378.318 2.986 20 0 GFADRO CCn1cnnc1C[NH2+][C@@H]1CCN(C)[C@@H](c2ccc(Br)cc2)C1 ZINC000876935492 662868373 /nfs/dbraw/zinc/86/83/73/662868373.db2.gz SWHXSZSEXKFAFK-HZPDHXFCSA-N 1 0 378.318 2.986 20 0 GFADRO O=C(/C=C\[C@@H]1CCC[NH2+]C1)N1CCOC[C@@H]1c1ccc(Br)cc1 ZINC000876967719 662868865 /nfs/dbraw/zinc/86/88/65/662868865.db2.gz LTELDQRWBVUUHD-QBFALRBDSA-N 1 0 379.298 2.905 20 0 GFADRO Cn1ncc(C[NH3+])c1C(=O)N[C@H]1CCCCc2cc(Br)ccc21 ZINC000876975800 662868992 /nfs/dbraw/zinc/86/89/92/662868992.db2.gz LDRVDZJCRBFZDL-HNNXBMFYSA-N 1 0 377.286 2.839 20 0 GFADRO CCO[P@@](C)(=O)CC[C@H](C)[NH2+]CCNS(=O)(=O)c1ccc(C)cc1 ZINC000876980156 662869135 /nfs/dbraw/zinc/86/91/35/662869135.db2.gz YKLHGALNLWZYHL-NPMXOYFQSA-N 1 0 376.459 2.586 20 0 GFADRO COC(=O)c1sc2c(c1Br)CN(C(=O)/C=C/[C@H]1CCC[NH2+]C1)C2 ZINC000876982083 662869243 /nfs/dbraw/zinc/86/92/43/662869243.db2.gz VDAIGKKKWVSSDA-ORAHPGNNSA-N 1 0 399.310 2.695 20 0 GFADRO Cc1cc([C@H]([NH3+])CC(=O)NCc2c(C(F)(F)F)cnn2C)cc(Cl)n1 ZINC000876992494 662869318 /nfs/dbraw/zinc/86/93/18/662869318.db2.gz WIVJSMXQNSHLBQ-LLVKDONJSA-N 1 0 375.782 2.502 20 0 GFADRO COc1ccccc1SC[C@@H](C)C[NH2+]Cc1cccc(S(N)(=O)=O)c1 ZINC000877015678 662869676 /nfs/dbraw/zinc/86/96/76/662869676.db2.gz ZIGFFAFJVISKHP-AWEZNQCLSA-N 1 0 380.535 2.861 20 0 GFADRO CN1CC[C@H]([NH2+]Cc2cccc(S(N)(=O)=O)c2)[C@H]1c1ccc(Cl)cc1 ZINC000877119147 662871286 /nfs/dbraw/zinc/87/12/86/662871286.db2.gz BQAOAGXEIFZVDO-ZWKOTPCHSA-N 1 0 379.913 2.522 20 0 GFADRO O=S1(=O)CCC(C[NH2+][C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2)CC1 ZINC000877166078 662871948 /nfs/dbraw/zinc/87/19/48/662871948.db2.gz VOQCVFKECUETGB-CYBMUJFWSA-N 1 0 377.337 2.987 20 0 GFADRO CN1CC[C@H]([NH2+][C@@H](CO)C2CCOCC2)C[C@H]1c1ccc(Br)cc1 ZINC000877194844 662872159 /nfs/dbraw/zinc/87/21/59/662872159.db2.gz CZNQFDBNMLBSRF-FHWLQOOXSA-N 1 0 397.357 2.962 20 0 GFADRO O=C(CCNc1ncc(C(F)(F)F)cc1Cl)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000877283142 662873142 /nfs/dbraw/zinc/87/31/42/662873142.db2.gz OJOUXJGNXNFPJS-QWHCGFSZSA-N 1 0 376.810 2.909 20 0 GFADRO CC(C)n1cc(Br)cc1C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000877334293 662873828 /nfs/dbraw/zinc/87/38/28/662873828.db2.gz NFTBVVBFZKCFGD-CQSZACIVSA-N 1 0 384.318 2.720 20 0 GFADRO O=C(CCc1cc(Br)cs1)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000877332461 662873832 /nfs/dbraw/zinc/87/38/32/662873832.db2.gz BEHJKACIGNSNHQ-ZDUSSCGKSA-N 1 0 387.343 2.718 20 0 GFADRO C[C@H](C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2)c1ccc(Br)s1 ZINC000877332690 662873867 /nfs/dbraw/zinc/87/38/67/662873867.db2.gz GFIOTLRTSKEEIB-RYUDHWBXSA-N 1 0 387.343 2.889 20 0 GFADRO O=C(CCc1ccccc1Br)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000877337222 662873946 /nfs/dbraw/zinc/87/39/46/662873946.db2.gz RWSKNQSOKPGKBC-OAHLLOKOSA-N 1 0 381.314 2.657 20 0 GFADRO O=C(N[C@]12CCC[C@H]1[NH2+]CC2)c1cnn(-c2ccc(Br)cc2)c1 ZINC000877395659 662875519 /nfs/dbraw/zinc/87/55/19/662875519.db2.gz LSBGUMQMDJEVEK-WBVHZDCISA-N 1 0 375.270 2.649 20 0 GFADRO CN(CCCCCC[NH3+])C(=O)Cc1cc2c(cc1Br)OCCO2 ZINC000877438178 662876061 /nfs/dbraw/zinc/87/60/61/662876061.db2.gz JOBBAAVESJQUQI-UHFFFAOYSA-N 1 0 385.302 2.740 20 0 GFADRO CN1CC[C@@H]([NH2+]CC(=O)NCC(F)F)C[C@@H]1c1ccc(Br)cc1 ZINC000877494843 662877167 /nfs/dbraw/zinc/87/71/67/662877167.db2.gz OMLXOLFBZDZBJH-ZIAGYGMSSA-N 1 0 390.272 2.555 20 0 GFADRO Cc1sc(C[N@@H+]2CCC[C@@H]2C[C@@]2(C)NC(=O)NC2=O)cc1Br ZINC000877519748 662877961 /nfs/dbraw/zinc/87/79/61/662877961.db2.gz YWQIORVZZBTGSJ-MEBBXXQBSA-N 1 0 386.315 2.772 20 0 GFADRO COC(=O)c1ccc(C[NH2+][C@@H]2COc3ccccc3[C@H]2O)cc1Br ZINC000877538110 662878507 /nfs/dbraw/zinc/87/85/07/662878507.db2.gz VMBUEBVNRXAJMZ-NVXWUHKLSA-N 1 0 392.249 2.820 20 0 GFADRO CCN1CCC([N@@H+]2CCCN(Cc3cccnc3Br)CC2)CC1 ZINC000877595443 662879626 /nfs/dbraw/zinc/87/96/26/662879626.db2.gz APMMHNPFOGQDKS-UHFFFAOYSA-N 1 0 381.362 2.836 20 0 GFADRO CCON(C)C(=O)C[NH2+][C@@H]1CCN(C)[C@H](c2ccc(Br)cc2)C1 ZINC000877612123 662879912 /nfs/dbraw/zinc/87/99/12/662879912.db2.gz KJRSBMHYOXBITM-CVEARBPZSA-N 1 0 384.318 2.584 20 0 GFADRO CCOC(=O)[C@@]1(C[NH2+]Cc2nc(Cl)ccc2Br)CCCOC1 ZINC000877697726 662882290 /nfs/dbraw/zinc/88/22/90/662882290.db2.gz BJPBKGPBMGNTNK-OAHLLOKOSA-N 1 0 391.693 2.947 20 0 GFADRO CCO[P@@](C)(=O)CC[C@H](C)[NH2+]Cc1c(I)cnn1C ZINC000877775696 662883349 /nfs/dbraw/zinc/88/33/49/662883349.db2.gz ZGNNDZZRWJEZPM-APBUJDDRSA-N 1 0 399.213 2.837 20 0 GFADRO O=C([C@H]1CCC[N@@H+](C[C@H](O)c2ccc(Cl)c(Cl)c2)C1)N1CCOCC1 ZINC000877928038 662886182 /nfs/dbraw/zinc/88/61/82/662886182.db2.gz KXQFBNQMYMXBBW-YOEHRIQHSA-N 1 0 387.307 2.598 20 0 GFADRO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C[C@@H](O)c1cc(Br)no1 ZINC000878098346 662889844 /nfs/dbraw/zinc/88/98/44/662889844.db2.gz IBBQKJKAQPZFSN-UKRRQHHQSA-N 1 0 380.286 2.677 20 0 GFADRO C[C@H](c1ccc([S@](C)=O)cc1)[N@H+](C)C[C@@H](O)c1cc(Br)no1 ZINC000878160306 662891072 /nfs/dbraw/zinc/89/10/72/662891072.db2.gz LJKGQHCVBQMZAZ-HIRYEYBUSA-N 1 0 387.299 2.901 20 0 GFADRO Cn1ncc(Br)c1CC(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000878213585 662891827 /nfs/dbraw/zinc/89/18/27/662891827.db2.gz IDOLGPRTHKYYRG-OAHLLOKOSA-N 1 0 391.313 2.506 20 0 GFADRO CCN(CC)C(=O)C1([NH2+]C[C@H](O)c2cc(Br)no2)CCCCC1 ZINC000878248607 662892467 /nfs/dbraw/zinc/89/24/67/662892467.db2.gz ASAYENWJXOBAMG-LBPRGKRZSA-N 1 0 388.306 2.631 20 0 GFADRO CC(C)(COc1ncccc1Br)[NH2+]C[C@H](O)CC1(O)CCCC1 ZINC000878336391 662894086 /nfs/dbraw/zinc/89/40/86/662894086.db2.gz HEYOIFVQQYMBBK-CYBMUJFWSA-N 1 0 387.318 2.647 20 0 GFADRO C[C@H]([NH2+]C[C@@H](O)c1cc(Br)no1)c1ccc(N2CCCC2=O)cc1 ZINC000878358880 662894513 /nfs/dbraw/zinc/89/45/13/662894513.db2.gz XDKAYVRHRUFIDD-SMDDNHRTSA-N 1 0 394.269 2.948 20 0 GFADRO OCC[C@H]([NH2+]C[C@H](O)CC1(CO)CCCC1)c1ccccc1Br ZINC000878396942 662895352 /nfs/dbraw/zinc/89/53/52/662895352.db2.gz QBUADVIMHQYSJI-PBHICJAKSA-N 1 0 386.330 2.766 20 0 GFADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1cc(Br)ccc1C1CC1 ZINC000878544484 662898652 /nfs/dbraw/zinc/89/86/52/662898652.db2.gz JMTHEBMYSXRNNJ-GJZGRUSLSA-N 1 0 379.298 2.920 20 0 GFADRO CC(C)[NH2+][C@H]1CCCN(C(=O)[C@]2(C)CC2(Br)Br)C1 ZINC000878578024 662899388 /nfs/dbraw/zinc/89/93/88/662899388.db2.gz PXZCNCPSJFLACB-JQWIXIFHSA-N 1 0 382.140 2.872 20 0 GFADRO C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+]CCCS(=O)(=O)C(C)(C)C ZINC000878596825 662899813 /nfs/dbraw/zinc/89/98/13/662899813.db2.gz HWDYKDPWVYDQMR-GJZGRUSLSA-N 1 0 376.563 2.825 20 0 GFADRO O[C@H](C[N@@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@@H]21)c1cc(Br)no1 ZINC000878604751 662900278 /nfs/dbraw/zinc/90/02/78/662900278.db2.gz DWWKMAQNAOIRDL-LVQVYYBASA-N 1 0 393.281 2.975 20 0 GFADRO C[NH+](C)C[C@@]1(O)CCCN(Cc2noc(-c3cccc(Cl)c3Cl)n2)C1 ZINC000878866524 662907690 /nfs/dbraw/zinc/90/76/90/662907690.db2.gz ULKRYFPPDHWLAI-KRWDZBQOSA-N 1 0 385.295 2.932 20 0 GFADRO C[NH+]1CCC(n2cc(NC(=O)Nc3cccnc3Br)cn2)CC1 ZINC000878974542 662911984 /nfs/dbraw/zinc/91/19/84/662911984.db2.gz GVXDHKIXJLGWSN-UHFFFAOYSA-N 1 0 379.262 2.951 20 0 GFADRO NC(=O)[C@@H](F)C1CC[NH+](CCC(=O)Nc2c(Cl)cccc2Cl)CC1 ZINC000879044977 662914535 /nfs/dbraw/zinc/91/45/35/662914535.db2.gz RWSQRIOIODKBOG-AWEZNQCLSA-N 1 0 376.259 2.857 20 0 GFADRO C[NH+]1CCC2(CCN(CC(=O)Nc3ccc(Br)cn3)CC2)CC1 ZINC000879249432 662921693 /nfs/dbraw/zinc/92/16/93/662921693.db2.gz QENSLWOGISVENA-UHFFFAOYSA-N 1 0 381.318 2.590 20 0 GFADRO CC(C)([NH2+]Cc1nnnn1-c1ccccc1Br)[C@@H]1CCCCO1 ZINC000879409279 662925471 /nfs/dbraw/zinc/92/54/71/662925471.db2.gz BVNXSFVHRUAATB-AWEZNQCLSA-N 1 0 380.290 2.862 20 0 GFADRO COCCN(CC1CC[NH+](C)CC1)C(=O)Nc1ccnc(Br)c1C ZINC000879660259 662934660 /nfs/dbraw/zinc/93/46/60/662934660.db2.gz OSAPGWRRYBNAQP-UHFFFAOYSA-N 1 0 399.333 2.975 20 0 GFADRO COC[C@H]([NH2+]CCc1nnn(C(C)(C)C)n1)c1cccc(Br)c1 ZINC000879663603 662935071 /nfs/dbraw/zinc/93/50/71/662935071.db2.gz MRWVVTQOIQSJKF-AWEZNQCLSA-N 1 0 382.306 2.710 20 0 GFADRO Cc1ncc(Br)cc1NC(=O)N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000879786514 662939406 /nfs/dbraw/zinc/93/94/06/662939406.db2.gz JTZPJSZDZHDKKT-HNNXBMFYSA-N 1 0 397.317 2.917 20 0 GFADRO COc1cc(CN2CCC[C@@H]([NH2+]C3CCOCC3)C2)c(Br)cn1 ZINC000880201805 662954579 /nfs/dbraw/zinc/95/45/79/662954579.db2.gz SFOWNCSGLJTMRX-OAHLLOKOSA-N 1 0 384.318 2.586 20 0 GFADRO O=C(CN1CCC[C@@H]([NH2+]C2CCOCC2)C1)Nc1ccccc1Br ZINC000880206501 662954591 /nfs/dbraw/zinc/95/45/91/662954591.db2.gz BHMIEWDATCYWNF-OAHLLOKOSA-N 1 0 396.329 2.621 20 0 GFADRO CN(Cc1ccco1)C(=O)C[NH2+][C@@]1(c2ccc(Br)cc2)C[C@@H](O)C1 ZINC000880221961 662955474 /nfs/dbraw/zinc/95/54/74/662955474.db2.gz WBTVOCIRJYGIBY-RHNCMZPLSA-N 1 0 393.281 2.640 20 0 GFADRO O=C(c1cc(Br)cnc1F)N1CCCN(c2cc[nH+]cc2)CC1 ZINC000880378957 662958858 /nfs/dbraw/zinc/95/88/58/662958858.db2.gz NTKFISLCDYCHHL-UHFFFAOYSA-N 1 0 379.233 2.731 20 0 GFADRO O[C@@H](COc1ccc(Cl)cc1Cl)C[NH+]1CCC2(CC1)COCCO2 ZINC000880540588 662961887 /nfs/dbraw/zinc/96/18/87/662961887.db2.gz JPEXKZNBLYEXEE-CQSZACIVSA-N 1 0 376.280 2.615 20 0 GFADRO CC(=O)c1ccc(Br)c(NC(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c1 ZINC000880805046 662972683 /nfs/dbraw/zinc/97/26/83/662972683.db2.gz BCHDKNOCNAFWOL-KGLIPLIRSA-N 1 0 396.285 2.636 20 0 GFADRO CC(C)(C)c1ccc(Br)cc1NC(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000881253797 662986178 /nfs/dbraw/zinc/98/61/78/662986178.db2.gz IIJVTAKBBHEDHR-ZDUSSCGKSA-N 1 0 384.318 2.935 20 0 GFADRO CC[NH+](CC)C[C@@H](C)NC(=O)Nc1cc(Br)cc2c1NC(=O)CO2 ZINC000881270350 662987019 /nfs/dbraw/zinc/98/70/19/662987019.db2.gz RXBKIBJQPRMCAZ-SNVBAGLBSA-N 1 0 399.289 2.632 20 0 GFADRO Cn1nc(C(F)(F)F)c(Cn2cc(CC[NH+]3CCCCC3)nn2)c1Cl ZINC000881349078 662990828 /nfs/dbraw/zinc/99/08/28/662990828.db2.gz UERYAGDMRLLBIN-UHFFFAOYSA-N 1 0 376.814 2.761 20 0 GFADRO C[N@@H+]1CCN(C(=O)CCN2C(=S)N=NC2c2cccs2)CCC1(C)C ZINC000881388627 662992447 /nfs/dbraw/zinc/99/24/47/662992447.db2.gz NTDHBAQGALCILW-UHFFFAOYSA-N 1 0 379.555 2.628 20 0 GFADRO CC1(C)OC[C@H](CCn2cc([C@H]([NH3+])c3ccc(Br)cc3)nn2)O1 ZINC000881395707 662992523 /nfs/dbraw/zinc/99/25/23/662992523.db2.gz UOFFJHDUHICLTF-DZGCQCFKSA-N 1 0 381.274 2.630 20 0 GFADRO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N[C@@H](C)c1ccncc1Br ZINC000881461942 662994935 /nfs/dbraw/zinc/99/49/35/662994935.db2.gz OAYIZDIEKNOHRQ-BLLLJJGKSA-N 1 0 384.318 2.815 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1CCNc1cnn(CC(F)(F)F)c(=O)c1Br ZINC000881809339 663004327 /nfs/dbraw/zinc/00/43/27/663004327.db2.gz WXNBEDGGVVWYEH-SNVBAGLBSA-N 1 0 397.239 2.854 20 0 GFADRO CN1CCN(S(=O)(=O)c2cnc(Cl)cc2C(F)(F)F)c2c[nH+]ccc21 ZINC000881982209 663012177 /nfs/dbraw/zinc/01/21/77/663012177.db2.gz VIVTVPGETBVYLT-UHFFFAOYSA-N 1 0 392.790 2.794 20 0 GFADRO CC[C@@H]1C[N@H+](C)CCCN1S(=O)(=O)c1cnc(Cl)cc1C(F)(F)F ZINC000882147336 663018466 /nfs/dbraw/zinc/01/84/66/663018466.db2.gz BKBJANHIATWNQG-SNVBAGLBSA-N 1 0 385.839 2.859 20 0 GFADRO C[C@@H](Nc1ccc2nnc(Br)n2n1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000882171593 663019358 /nfs/dbraw/zinc/01/93/58/663019358.db2.gz GSFKXKYEISIMGS-NEPJUHHUSA-N 1 0 379.306 2.952 20 0 GFADRO CN(CCCC[NH+]1CCCCC1)S(=O)(=O)N=[S@@](C)(=O)C1CCCCC1 ZINC000882798064 663042338 /nfs/dbraw/zinc/04/23/38/663042338.db2.gz OYMOKUZDVVLFOT-DEOSSOPVSA-N 1 0 393.619 2.860 20 0 GFADRO CCn1cc(C[NH2+]CCS(=O)(=O)CC(F)(F)F)c(-c2ccccc2)n1 ZINC000883167004 663050832 /nfs/dbraw/zinc/05/08/32/663050832.db2.gz NKBWXJLIIWRFQK-UHFFFAOYSA-N 1 0 375.416 2.637 20 0 GFADRO COC[C@H]([NH2+]Cc1cc(Br)c2c(c1)OCCO2)[C@@H]1CCCOC1 ZINC000883180652 663050918 /nfs/dbraw/zinc/05/09/18/663050918.db2.gz HOXMVSZIYHYOBB-HIFRSBDPSA-N 1 0 386.286 2.752 20 0 GFADRO COC[C@H]([NH2+]CCCNC(=O)c1ccc(Br)cc1)[C@@H]1CCCOC1 ZINC000883183499 663050934 /nfs/dbraw/zinc/05/09/34/663050934.db2.gz CONMZCLTJQSNHR-WBVHZDCISA-N 1 0 399.329 2.600 20 0 GFADRO COC[C@@H]([NH2+]Cc1cn(-c2ccccc2Br)nn1)[C@H]1CCCOC1 ZINC000883202292 663051301 /nfs/dbraw/zinc/05/13/01/663051301.db2.gz XLIPGOVHJMMSHR-XJKSGUPXSA-N 1 0 395.301 2.561 20 0 GFADRO COc1ncc(Br)cc1C[NH2+]C[C@H]1CCC2(CCOCC2)CO1 ZINC000883253322 663051923 /nfs/dbraw/zinc/05/19/23/663051923.db2.gz ONIIAQPGABUJGG-OAHLLOKOSA-N 1 0 385.302 2.918 20 0 GFADRO Cn1c2ccc(C(F)(F)F)cc2nc1C[NH2+]CC[C@H]1CCCS1(=O)=O ZINC000883299442 663052862 /nfs/dbraw/zinc/05/28/62/663052862.db2.gz UXDGHEFNEPNVQY-GFCCVEGCSA-N 1 0 375.416 2.649 20 0 GFADRO COc1cc(Cl)c(S(=O)(=O)N(CC[NH3+])CC(F)(F)F)cc1Cl ZINC000883472302 663055676 /nfs/dbraw/zinc/05/56/76/663055676.db2.gz YRJJXURCMYUKKG-UHFFFAOYSA-N 1 0 381.203 2.514 20 0 GFADRO [NH3+]Cc1nc2c(s1)CCN(S(=O)(=O)c1ccc3ccnc(Cl)c3c1)C2 ZINC000883480626 663055947 /nfs/dbraw/zinc/05/59/47/663055947.db2.gz IJOKXHQBAQXCGV-UHFFFAOYSA-N 1 0 394.909 2.550 20 0 GFADRO Cc1nc(Br)ccc1NC(=O)N1CCc2sc(C[NH3+])nc2C1 ZINC000883551297 663057007 /nfs/dbraw/zinc/05/70/07/663057007.db2.gz KXWHFSGUTYWRPN-UHFFFAOYSA-N 1 0 382.287 2.658 20 0 GFADRO CC(C)([NH3+])CCNC(=O)C(=O)Nc1ccc2cc(Br)ccc2c1 ZINC000883620702 663058109 /nfs/dbraw/zinc/05/81/09/663058109.db2.gz OSMNQSFQLXTADI-UHFFFAOYSA-N 1 0 378.270 2.784 20 0 GFADRO CC[NH2+]CCNC(=O)CCc1cc(Br)c(Br)s1 ZINC000884023767 663063984 /nfs/dbraw/zinc/06/39/84/663063984.db2.gz XDBXYAOZSIQYMC-UHFFFAOYSA-N 1 0 384.137 2.931 20 0 GFADRO C[C@](C[NH3+])(NC(=O)c1cc(Br)nn1-c1ncccc1Cl)C1CC1 ZINC000884031107 663064057 /nfs/dbraw/zinc/06/40/57/663064057.db2.gz GUWRKBAVARYABW-OAHLLOKOSA-N 1 0 398.692 2.540 20 0 GFADRO O=C(Nc1ccc(Br)cc1F)c1ccnc(N2CC[NH2+]CC2)c1 ZINC000884046363 663064264 /nfs/dbraw/zinc/06/42/64/663064264.db2.gz BETDIPURQFBVGJ-UHFFFAOYSA-N 1 0 379.233 2.645 20 0 GFADRO CC[NH+](CC)[C@@H](CNC(=O)NCc1n[nH]c(CSC)n1)c1ccsc1 ZINC000884056448 663064414 /nfs/dbraw/zinc/06/44/14/663064414.db2.gz YCZTZYBEOVFCDU-ZDUSSCGKSA-N 1 0 382.559 2.612 20 0 GFADRO CCCCNC(=O)C1CCN(C(=O)[C@@H]([NH3+])c2ccc(Br)cc2)CC1 ZINC000884082377 663064671 /nfs/dbraw/zinc/06/46/71/663064671.db2.gz DVGBFXQXYOJDMW-INIZCTEOSA-N 1 0 396.329 2.604 20 0 GFADRO COc1cccc(CCNC(=O)[C@@H]([NH3+])c2ccc(Br)cc2)c1OC ZINC000884080791 663064680 /nfs/dbraw/zinc/06/46/80/663064680.db2.gz GAGVZOSKCHJEMM-INIZCTEOSA-N 1 0 393.281 2.825 20 0 GFADRO Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)[C@H]([NH3+])c1ccc(Br)cc1 ZINC000884155620 663066075 /nfs/dbraw/zinc/06/60/75/663066075.db2.gz GSPMLIRCBJMBKV-QLJPJBMISA-N 1 0 379.302 2.547 20 0 GFADRO C[NH2+]CCN(C)C(=O)CCc1cc(Br)c(Br)s1 ZINC000884243033 663067537 /nfs/dbraw/zinc/06/75/37/663067537.db2.gz SRVRRQOYCGPEBZ-UHFFFAOYSA-N 1 0 384.137 2.884 20 0 GFADRO O=C(COCCc1ccc(Br)cc1)N1CCC2(C1)CC[NH2+]CC2 ZINC000884242936 663067569 /nfs/dbraw/zinc/06/75/69/663067569.db2.gz OLFFIGGISOJFNB-UHFFFAOYSA-N 1 0 381.314 2.610 20 0 GFADRO C[C@H]1C[C@@H](NC(=O)c2cc(Br)nn2-c2ncccc2Cl)CC[NH2+]1 ZINC000884273099 663067946 /nfs/dbraw/zinc/06/79/46/663067946.db2.gz JLCZLLCEXOCSMC-UWVGGRQHSA-N 1 0 398.692 2.554 20 0 GFADRO Cn1nc2c(c1C(=O)N1CC[NH2+]C[C@H]1c1cccc(Cl)c1)CSCC2 ZINC000884279190 663068040 /nfs/dbraw/zinc/06/80/40/663068040.db2.gz CUGLDZDVRLFYJF-INIZCTEOSA-N 1 0 376.913 2.650 20 0 GFADRO CC1(C)[NH2+]CC[C@H]1NC(=O)c1cc(Br)nn1-c1ncccc1Cl ZINC000884304627 663068497 /nfs/dbraw/zinc/06/84/97/663068497.db2.gz WDGJDYUMBWNABR-LLVKDONJSA-N 1 0 398.692 2.554 20 0 GFADRO CC1(C)[C@H]([NH3+])C[C@H]1NC(=O)c1cc(Br)nn1-c1ncccc1Cl ZINC000884366183 663069573 /nfs/dbraw/zinc/06/95/73/663069573.db2.gz VLNBWIDCWNBQBP-GHMZBOCLSA-N 1 0 398.692 2.539 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CNC(=S)N1CCN(Cc2ccc(Cl)s2)CC1 ZINC000884387443 663069826 /nfs/dbraw/zinc/06/98/26/663069826.db2.gz TUNQOQQDJISCHO-CQSZACIVSA-N 1 0 387.018 2.878 20 0 GFADRO CN(CCCCCC[NH3+])C(=O)C(=O)N[C@@H]1CCSc2ccc(Cl)cc21 ZINC000884523028 663072090 /nfs/dbraw/zinc/07/20/90/663072090.db2.gz OFCCJUPLOPPGQZ-OAHLLOKOSA-N 1 0 383.945 2.971 20 0 GFADRO COc1cc(C(F)(F)F)cc(S(=O)(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000884957623 663079565 /nfs/dbraw/zinc/07/95/65/663079565.db2.gz UEHZASFIFIDZAC-CHWSQXEVSA-N 1 0 378.416 2.619 20 0 GFADRO C[NH+](C)CCCCC(=O)N1CCC[C@@](O)(c2ccc(Br)cc2)C1 ZINC000884967873 663080501 /nfs/dbraw/zinc/08/05/01/663080501.db2.gz IYKOJCOWIYMLTQ-SFHVURJKSA-N 1 0 383.330 2.991 20 0 GFADRO CC[N@H+](C)C[C@H]1CCN(S(=O)(=O)Cc2ccc(Br)cc2C)C1 ZINC000885037472 663083478 /nfs/dbraw/zinc/08/34/78/663083478.db2.gz RNKMJCPNARLABX-CQSZACIVSA-N 1 0 389.359 2.861 20 0 GFADRO O=C(NC[C@H]1CC[N@@H+]1C1CCOCC1)c1cc2ccc(Br)cc2[nH]1 ZINC000885861249 663099401 /nfs/dbraw/zinc/09/94/01/663099401.db2.gz QUQZVJSAFBAAHV-OAHLLOKOSA-N 1 0 392.297 2.914 20 0 GFADRO O=C(CCc1cc(Br)ccc1F)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000885874993 663099841 /nfs/dbraw/zinc/09/98/41/663099841.db2.gz CPMUBFWNNLKSHO-INIZCTEOSA-N 1 0 399.304 2.890 20 0 GFADRO O=C(NC[C@@H]1CC[N@@H+]1C1CCOCC1)c1cc(Br)cnc1C1CC1 ZINC000885895416 663100723 /nfs/dbraw/zinc/10/07/23/663100723.db2.gz FSJLUPSJPSJCRV-HNNXBMFYSA-N 1 0 394.313 2.705 20 0 GFADRO O[C@@H]1CC[C@H]([NH2+]Cc2cccc(Br)c2OC(F)F)CC[C@@H]1O ZINC000886260092 663106345 /nfs/dbraw/zinc/10/63/45/663106345.db2.gz OVMCACTWTJSANO-LMKPVCQUSA-N 1 0 380.229 2.805 20 0 GFADRO COc1nsc(C[NH2+]C[C@@H]2CC[C@]3(CO[C@@H](C)C3)O2)c1Br ZINC000886329495 663108271 /nfs/dbraw/zinc/10/82/71/663108271.db2.gz FLMKLSQIVFJMTQ-BHDSKKPTSA-N 1 0 377.304 2.730 20 0 GFADRO O[C@@H](COc1ccc(Cl)cc1Br)C[N@@H+]1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000886580321 663114308 /nfs/dbraw/zinc/11/43/08/663114308.db2.gz FPUILTQRVMXQKQ-ZGFBFQLVSA-N 1 0 390.705 2.545 20 0 GFADRO Cc1n[nH]c(C)c1S(=O)(=O)N1CCC([NH2+]Cc2cscc2Cl)CC1 ZINC000886656566 663115156 /nfs/dbraw/zinc/11/51/56/663115156.db2.gz KLUNNBBSHVATMV-UHFFFAOYSA-N 1 0 388.946 2.684 20 0 GFADRO CCCOc1ccc(S(=O)(=O)NC[C@H]2C[NH2+]CCC2(F)F)cc1CC ZINC000886899682 663124171 /nfs/dbraw/zinc/12/41/71/663124171.db2.gz RCDAGWQNSFRILN-CQSZACIVSA-N 1 0 376.469 2.561 20 0 GFADRO COC[C@H]([NH2+][C@H](C)C(=O)Nc1ccc(Br)cc1)[C@@H]1CCCOC1 ZINC000886909551 663124639 /nfs/dbraw/zinc/12/46/39/663124639.db2.gz BHVCTCRVJCYYSD-IOASZLSFSA-N 1 0 385.302 2.807 20 0 GFADRO COC[C@@H]([NH2+]CC(=O)Nc1nc(-c2cccs2)cs1)[C@@H]1CCCOC1 ZINC000886913354 663124835 /nfs/dbraw/zinc/12/48/35/663124835.db2.gz AMXVTBYZQUDXHS-CHWSQXEVSA-N 1 0 381.523 2.841 20 0 GFADRO COC[C@H]([NH2+]C[C@H](O)COc1cc(Cl)cc(Cl)c1)[C@@H]1CCCOC1 ZINC000886916399 663124932 /nfs/dbraw/zinc/12/49/32/663124932.db2.gz UKRNNIGRQMBHSY-PVUWLOKVSA-N 1 0 378.296 2.764 20 0 GFADRO O=C(NC[C@H]1C[NH2+]CCC1(F)F)Nc1cnc(Cl)c(Br)c1 ZINC000886941706 663125460 /nfs/dbraw/zinc/12/54/60/663125460.db2.gz JMHNPYPCFVOCPR-SSDOTTSWSA-N 1 0 383.624 2.864 20 0 GFADRO [NH3+]CC1CCN(C(=O)C(=O)Nc2cc(Br)c3ccccc3c2)CC1 ZINC000886982684 663127146 /nfs/dbraw/zinc/12/71/46/663127146.db2.gz YJEPJTXFXLBYKA-UHFFFAOYSA-N 1 0 390.281 2.738 20 0 GFADRO CCS(=O)(=O)N1CCc2cc(-c3csc([C@H]4CCC[NH2+]C4)n3)ccc21 ZINC000887275551 663140555 /nfs/dbraw/zinc/14/05/55/663140555.db2.gz IXMWLFWYDWIUAA-HNNXBMFYSA-N 1 0 377.535 2.989 20 0 GFADRO Cc1sc(Cc2ncc(Cl)n2C)nc1-c1cn(CC(C)(C)C[NH3+])nn1 ZINC000887427841 663146182 /nfs/dbraw/zinc/14/61/82/663146182.db2.gz DDWBOAHQNBPJRC-UHFFFAOYSA-N 1 0 379.921 2.673 20 0 GFADRO O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)c1nn2c(c1Br)CCC2 ZINC000887712791 663158709 /nfs/dbraw/zinc/15/87/09/663158709.db2.gz XVAQRMHGEHGEGA-AWEZNQCLSA-N 1 0 389.297 2.596 20 0 GFADRO C[N@@H+]1CCC[C@H](CNC(=O)N[C@@H](CCO)C(F)(F)F)[C@H]1c1cccs1 ZINC000888366103 663191410 /nfs/dbraw/zinc/19/14/10/663191410.db2.gz CYWOKPVHWKHKPM-XBFCOCLRSA-N 1 0 379.448 2.744 20 0 GFADRO C[NH+](C)CCc1ccc(NC(=O)c2nn3c(c2Br)CCC3)cc1 ZINC000888779023 663215033 /nfs/dbraw/zinc/21/50/33/663215033.db2.gz SULGKVIXNWGPEL-UHFFFAOYSA-N 1 0 377.286 2.948 20 0 GFADRO COCC[N@@H+]1CC[C@H](NC(=O)Nc2cccc(-c3nnsc3Cl)c2)C1 ZINC000888866060 663220907 /nfs/dbraw/zinc/22/09/07/663220907.db2.gz ODLPGVVJGPJMLR-ZDUSSCGKSA-N 1 0 381.889 2.701 20 0 GFADRO Cn1nc(C(F)(F)F)c(NC(=O)NC[C@]2([NH+](C)C)CCSC2)c1Cl ZINC000889196832 663235342 /nfs/dbraw/zinc/23/53/42/663235342.db2.gz VEWNCVARWRKJIJ-GFCCVEGCSA-N 1 0 385.843 2.651 20 0 GFADRO CC[NH+](CC)CCOCCNC(=O)Nc1c(Cl)n(C)nc1C(F)(F)F ZINC000889201212 663235734 /nfs/dbraw/zinc/23/57/34/663235734.db2.gz MXHPOVADIQAJAT-UHFFFAOYSA-N 1 0 385.818 2.572 20 0 GFADRO C[C@H]1C[C@H](NC(=O)c2cn(C)nc2Br)CC[N@@H+]1Cc1ccccc1 ZINC000889401646 663243630 /nfs/dbraw/zinc/24/36/30/663243630.db2.gz ONCCKDVALAOJDX-DZGCQCFKSA-N 1 0 391.313 2.966 20 0 GFADRO Cc1cc(Br)c(F)c(C(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)c1 ZINC000889745577 663262488 /nfs/dbraw/zinc/26/24/88/663262488.db2.gz WPMLTCIIJLVPRH-LSDHHAIUSA-N 1 0 385.277 2.568 20 0 GFADRO O=C(CCc1cccc(F)c1Br)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000889749925 663262962 /nfs/dbraw/zinc/26/29/62/663262962.db2.gz KBBONCPVWHMZLY-CVEARBPZSA-N 1 0 399.304 2.578 20 0 GFADRO C[NH+](C)CCOc1cc(NC(=O)c2cnc(F)c(Br)c2)ccn1 ZINC000889754653 663263156 /nfs/dbraw/zinc/26/31/56/663263156.db2.gz ROZNEHJFDISNIN-UHFFFAOYSA-N 1 0 383.221 2.571 20 0 GFADRO CC(C)(C(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO)c1ccccc1Br ZINC000889755290 663263734 /nfs/dbraw/zinc/26/37/34/663263734.db2.gz HTOKWMRHEOXFJX-IRXDYDNUSA-N 1 0 395.341 2.784 20 0 GFADRO O=C(CCc1cc(F)ccc1Br)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000889762816 663264479 /nfs/dbraw/zinc/26/44/79/663264479.db2.gz QMSBINPSBIQYMG-DLBZAZTESA-N 1 0 399.304 2.578 20 0 GFADRO O=C(CCOc1cccc(Cl)c1Cl)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000889775236 663266215 /nfs/dbraw/zinc/26/62/15/663266215.db2.gz UUAZGGBFYNWMPP-LSDHHAIUSA-N 1 0 387.307 2.820 20 0 GFADRO O=C(c1cnn2cccc(Br)c12)N1CCC([NH2+]C2CCC2)CC1 ZINC000889818134 663270223 /nfs/dbraw/zinc/27/02/23/663270223.db2.gz RCECODXXRQZYSD-UHFFFAOYSA-N 1 0 377.286 2.844 20 0 GFADRO CCN(C(=O)c1cn(C)nc1Br)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000889956239 663277261 /nfs/dbraw/zinc/27/72/61/663277261.db2.gz HTCYSOVNNXHGKE-HNNXBMFYSA-N 1 0 391.313 2.919 20 0 GFADRO O=C(COCCc1ccc(Br)cc1)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000890050102 663282295 /nfs/dbraw/zinc/28/22/95/663282295.db2.gz QTZLCUXZXHBPLF-IRXDYDNUSA-N 1 0 381.314 2.751 20 0 GFADRO CCC1([NH3+])CCN(C(=O)NCCC(=O)Nc2ccc(Br)cc2)CC1 ZINC000891404443 663338530 /nfs/dbraw/zinc/33/85/30/663338530.db2.gz LVBXSKOTKXSBKU-UHFFFAOYSA-N 1 0 397.317 2.691 20 0 GFADRO C[C@@H](Cc1cccc(Br)c1)NC(=O)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000891438440 663339523 /nfs/dbraw/zinc/33/95/23/663339523.db2.gz SDZLXHWCYMVXRH-AAEUAGOBSA-N 1 0 390.272 2.924 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)NCc2ccccc2Br)C[C@@H]1C(F)(F)F ZINC000891456735 663339944 /nfs/dbraw/zinc/33/99/44/663339944.db2.gz SUVYITLVJRDKLB-MNOVXSKESA-N 1 0 380.208 2.728 20 0 GFADRO Cc1cc(Br)ccc1CNC(=O)NC[C@H]1C[NH2+]CCC1(F)F ZINC000891537673 663343015 /nfs/dbraw/zinc/34/30/15/663343015.db2.gz DTRYMDCQNOKOFU-GFCCVEGCSA-N 1 0 376.245 2.802 20 0 GFADRO C[C@]1(Br)C[C@H]1C[NH+]1CCN(Cc2nc3ccccc3c(=O)[nH]2)CC1 ZINC000891543451 663343460 /nfs/dbraw/zinc/34/34/60/663343460.db2.gz QYFFHQZQWVHVOB-UGSOOPFHSA-N 1 0 391.313 2.627 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)NCCc2ccc(Br)cc2)C[C@H]1C(F)(F)F ZINC000891568044 663344166 /nfs/dbraw/zinc/34/41/66/663344166.db2.gz IHEQZNYWOPWBRI-DGCLKSJQSA-N 1 0 394.235 2.770 20 0 GFADRO Nc1cc[nH+]c(CNC(=O)NCC2(c3ccccc3Br)CC2)c1 ZINC000891592987 663345097 /nfs/dbraw/zinc/34/50/97/663345097.db2.gz PSOZKIQECKEAHV-UHFFFAOYSA-N 1 0 375.270 2.957 20 0 GFADRO [NH3+][C@H]1C[C@H](CNC(=O)NCc2cc(Br)ccc2Br)C1 ZINC000891812377 663351518 /nfs/dbraw/zinc/35/15/18/663351518.db2.gz AQPYABSIKVOQNL-JLIMDTESSA-N 1 0 391.107 2.748 20 0 GFADRO CC[NH+]1CCN([C@@H](C)CNc2ncc(Br)c3cccnc32)CC1 ZINC000891829555 663352004 /nfs/dbraw/zinc/35/20/04/663352004.db2.gz NTBXRAQWKOLIRR-ZDUSSCGKSA-N 1 0 378.318 2.830 20 0 GFADRO C[C@H](NC(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1)c1ccc(Br)cn1 ZINC000891869090 663353566 /nfs/dbraw/zinc/35/35/66/663353566.db2.gz UQKCNRNMBZXJDT-IQJOONFLSA-N 1 0 395.223 2.684 20 0 GFADRO O=C(N[C@@H]1CCOc2c(Br)cccc21)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000891882516 663353975 /nfs/dbraw/zinc/35/39/75/663353975.db2.gz UQNWJRWUGQWCPD-ILXRZTDVSA-N 1 0 380.286 2.809 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)N[C@@H]2[C@H]3Cc4cc(Br)ccc4[C@@H]23)C1 ZINC000892425315 663373205 /nfs/dbraw/zinc/37/32/05/663373205.db2.gz ABMILVITTGVRGY-NFPNPXPFSA-N 1 0 378.314 2.856 20 0 GFADRO O=C(N[C@H]1[C@@H]2Cc3cc(Br)ccc3[C@@H]21)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000892427801 663373314 /nfs/dbraw/zinc/37/33/14/663373314.db2.gz PZRJVFGOPJUVAS-SIXLDLHFSA-N 1 0 376.298 2.623 20 0 GFADRO [NH3+]C[C@H]1CC[C@H](NC(=O)N[C@@H]2[C@H]3Cc4cc(Br)ccc4[C@@H]23)CC1 ZINC000892426472 663373424 /nfs/dbraw/zinc/37/34/24/663373424.db2.gz HEHMXWLLDDBVSV-FUENOYCASA-N 1 0 378.314 2.904 20 0 GFADRO [NH3+]C[C@H]1CC[C@H](NC(=O)NC[C@@H](O)COc2cccc(Cl)c2Cl)CC1 ZINC000892449697 663374034 /nfs/dbraw/zinc/37/40/34/663374034.db2.gz KFXIPJNVKIWCQC-JHJVBQTASA-N 1 0 390.311 2.550 20 0 GFADRO CC1(C)C[NH2+]CC[C@H](NC(=O)N2CCC(n3cc(Br)cn3)CC2)C1 ZINC000892494231 663375482 /nfs/dbraw/zinc/37/54/82/663375482.db2.gz AJEMXGVSLPAVSX-AWEZNQCLSA-N 1 0 398.349 2.770 20 0 GFADRO O=C1CCCN1Cc1ccccc1C[NH2+]Cc1ncc(Br)cc1O ZINC000892547032 663377123 /nfs/dbraw/zinc/37/71/23/663377123.db2.gz UEELAKBFZSXDRX-UHFFFAOYSA-N 1 0 390.281 2.962 20 0 GFADRO Cc1[nH+]ccc(N2CCN(c3ccc(C(N)=O)cc3)CC2)c1Br ZINC000892595864 663378383 /nfs/dbraw/zinc/37/83/83/663378383.db2.gz ZBLJTZYYJNOKBB-UHFFFAOYSA-N 1 0 375.270 2.578 20 0 GFADRO COCCC1(NC(=O)NCc2ccc(C)c(Br)c2)CC[NH2+]CC1 ZINC000892694204 663381873 /nfs/dbraw/zinc/38/18/73/663381873.db2.gz DJRQBZPFDWCWAT-UHFFFAOYSA-N 1 0 384.318 2.715 20 0 GFADRO CCOC(=O)c1ncc(Br)c(N(C)CC[C@@H]2CCCC[N@@H+]2C)n1 ZINC000892697305 663382105 /nfs/dbraw/zinc/38/21/05/663382105.db2.gz SEYRLWDJXSYNDW-LBPRGKRZSA-N 1 0 385.306 2.726 20 0 GFADRO Cc1cccc(C(=O)N[C@]2(C)C[NH+]3CCC2CC3)c1I ZINC000892790011 663384791 /nfs/dbraw/zinc/38/47/91/663384791.db2.gz WTKOMUGOIVHUEJ-MRXNPFEDSA-N 1 0 384.261 2.814 20 0 GFADRO COc1ccc(C[NH2+]CCCNC(=O)c2cccc(Br)c2)nc1 ZINC000892786662 663384865 /nfs/dbraw/zinc/38/48/65/663384865.db2.gz RYEPPJZMZHQGKD-UHFFFAOYSA-N 1 0 378.270 2.762 20 0 GFADRO CCOC(=O)c1ncc(Br)c(NC2CC[NH+](C3CCCC3)CC2)n1 ZINC000892820004 663385862 /nfs/dbraw/zinc/38/58/62/663385862.db2.gz UPAHFDCXJJGHLS-UHFFFAOYSA-N 1 0 397.317 2.657 20 0 GFADRO COc1ccccc1CC(=O)N1CCC([NH2+]C[C@H]2C[C@]2(C)Br)CC1 ZINC000892846977 663386501 /nfs/dbraw/zinc/38/65/01/663386501.db2.gz LITWFAGQNSLPEY-BEFAXECRSA-N 1 0 395.341 2.992 20 0 GFADRO CCN(CC)S(=O)(=O)c1ccc(CC[NH2+]Cc2nccn2C2CC2)s1 ZINC000892903612 663388939 /nfs/dbraw/zinc/38/89/39/663388939.db2.gz TZUNQYKPCOISEK-UHFFFAOYSA-N 1 0 382.555 2.642 20 0 GFADRO CC(=O)OC[C@@H](C)[NH2+]CC(C)(C)S(=O)(=O)c1ccc(Br)cc1 ZINC000892950006 663390728 /nfs/dbraw/zinc/39/07/28/663390728.db2.gz KCAKSFYZMNGVBP-LLVKDONJSA-N 1 0 392.315 2.543 20 0 GFADRO C[NH+](C)CCC[C@H]1CN(C(=O)c2sc(Cl)nc2C(F)(F)F)CCO1 ZINC000893050837 663394712 /nfs/dbraw/zinc/39/47/12/663394712.db2.gz RQJGVNYGEMRCNA-VIFPVBQESA-N 1 0 385.839 2.998 20 0 GFADRO CC(=O)Nc1cc(Br)ccc1C[NH2+][C@@H]1CCO[C@]2(CCOC2)C1 ZINC000893285827 663405458 /nfs/dbraw/zinc/40/54/58/663405458.db2.gz PJQTWJLXITUJAE-NVXWUHKLSA-N 1 0 383.286 2.835 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000893398253 663409635 /nfs/dbraw/zinc/40/96/35/663409635.db2.gz INEFQKKLPFCKOL-YNEHKIRRSA-N 1 0 377.337 2.985 20 0 GFADRO CC(C)(C)OC(=O)N1CCC[C@@](C)(C[NH2+]CCCCCS(C)(=O)=O)C1 ZINC000893684697 663420209 /nfs/dbraw/zinc/42/02/09/663420209.db2.gz DRUXJPLVLNVGTQ-SFHVURJKSA-N 1 0 376.563 2.828 20 0 GFADRO CC(=O)Nc1cc(Br)ccc1C[NH2+]C[C@H]1CCCN(C(C)=O)C1 ZINC000894158068 663445985 /nfs/dbraw/zinc/44/59/85/663445985.db2.gz BIYBNSHLRVKCOY-CQSZACIVSA-N 1 0 382.302 2.756 20 0 GFADRO COc1ccc(OCC[NH2+]Cc2sc(N3CCOCC3)nc2Cl)cc1 ZINC000894158058 663446153 /nfs/dbraw/zinc/44/61/53/663446153.db2.gz MTBCGAMKWMVLGE-UHFFFAOYSA-N 1 0 383.901 2.810 20 0 GFADRO C[C@@H](NCc1cn(C)nc1I)c1ccc2c(c1)OCO2 ZINC000894165175 663446403 /nfs/dbraw/zinc/44/64/03/663446403.db2.gz JPDFRWHCLOBWFR-SECBINFHSA-N 1 0 385.205 2.604 20 0 GFADRO Cn1nc(Br)nc1C[NH2+]CCc1ccc(Br)cc1F ZINC000894254634 663451177 /nfs/dbraw/zinc/45/11/77/663451177.db2.gz RJDFKTWFBOWWTP-UHFFFAOYSA-N 1 0 392.070 2.812 20 0 GFADRO COc1cccc2c1OCC[C@@H]2NCc1cn(C)nc1I ZINC000894256990 663451210 /nfs/dbraw/zinc/45/12/10/663451210.db2.gz IONQSCPJAIMISU-LBPRGKRZSA-N 1 0 399.232 2.647 20 0 GFADRO CCC(CC)(CC(=O)OC)[NH2+]Cc1sc(N2CCOCC2)nc1Cl ZINC000894316251 663453981 /nfs/dbraw/zinc/45/39/81/663453981.db2.gz KZKSOPHDRIIGIY-UHFFFAOYSA-N 1 0 375.922 2.845 20 0 GFADRO COC[C@@H](Cc1ccccc1)[NH2+]Cc1sc(N2CCOCC2)nc1Cl ZINC000894321389 663454274 /nfs/dbraw/zinc/45/42/74/663454274.db2.gz ZPFBJOQVLHOOII-OAHLLOKOSA-N 1 0 381.929 2.980 20 0 GFADRO CC(C)OC1CCC([NH2+]Cc2cn(C)nc2I)CC1 ZINC000894354233 663456893 /nfs/dbraw/zinc/45/68/93/663456893.db2.gz HSCDSRSJTYYWKB-UHFFFAOYSA-N 1 0 377.270 2.851 20 0 GFADRO C[C@@H](C[C@H](O)c1cccs1)[NH2+]Cc1c(I)cnn1C ZINC000894369897 663458675 /nfs/dbraw/zinc/45/86/75/663458675.db2.gz CNJROHXUUJRVOG-CABZTGNLSA-N 1 0 391.278 2.688 20 0 GFADRO CN(C)c1nc(C(F)(F)F)ccc1C[NH2+]CC1(S(C)(=O)=O)CCCC1 ZINC000894426847 663461039 /nfs/dbraw/zinc/46/10/39/663461039.db2.gz YANGXQOBEBEMHM-UHFFFAOYSA-N 1 0 379.448 2.613 20 0 GFADRO CC(C)C[C@H]1OCCC[C@@H]1[NH2+]Cc1cn(C)nc1I ZINC000894491998 663465011 /nfs/dbraw/zinc/46/50/11/663465011.db2.gz XLYJBWOUVFVPPY-QWHCGFSZSA-N 1 0 377.270 2.708 20 0 GFADRO CC[C@H](C)[NH2+][C@@H](CNC(=O)NCc1ncc(Br)cn1)c1ccco1 ZINC000894763745 663480341 /nfs/dbraw/zinc/48/03/41/663480341.db2.gz BCIGSOFVVIHJLF-AAEUAGOBSA-N 1 0 396.289 2.761 20 0 GFADRO CC(C)(C)OC(=O)NC[C@@H]1C[N@H+](C[C@H]2C[C@]2(C)Br)CCCO1 ZINC000894815942 663482784 /nfs/dbraw/zinc/48/27/84/663482784.db2.gz BNSUASJKPKLMHS-IOASZLSFSA-N 1 0 377.323 2.776 20 0 GFADRO C[C@@H](Cc1cn(C)c2ccc(F)cc12)[NH2+]Cc1nc(Br)nn1C ZINC000895017282 663495447 /nfs/dbraw/zinc/49/54/47/663495447.db2.gz UYSGOBPSYXWVDE-JTQLQIEISA-N 1 0 380.265 2.929 20 0 GFADRO CN1CC[NH+](C2CCN(c3ncc(Br)c4cccnc43)CC2)CC1 ZINC000895027857 663496246 /nfs/dbraw/zinc/49/62/46/663496246.db2.gz MSAHMZBKGCFRFB-UHFFFAOYSA-N 1 0 390.329 2.609 20 0 GFADRO CC(C)[C@H](C[NH2+]Cc1ccc(S(C)(=O)=O)s1)ONC(=O)OC(C)(C)C ZINC000895031322 663496335 /nfs/dbraw/zinc/49/63/35/663496335.db2.gz ONCKHZNHJQNCBW-ZDUSSCGKSA-N 1 0 392.543 2.722 20 0 GFADRO CCOC(=O)C(F)(F)[C@H]1CC[C@@H]([NH2+]Cc2cnc(Br)cn2)C1 ZINC000895408320 663512467 /nfs/dbraw/zinc/51/24/67/663512467.db2.gz UHOUGWJJJYIQLE-VHSXEESVSA-N 1 0 378.217 2.696 20 0 GFADRO CC(C)[NH+]1CCC(NC(=O)[C@@H]2Cc3ccc(Br)cc3C(=O)O2)CC1 ZINC000895521036 663517770 /nfs/dbraw/zinc/51/77/70/663517770.db2.gz CTIILEMKGSJHFA-INIZCTEOSA-N 1 0 395.297 2.520 20 0 GFADRO C[C@H]([NH2+][C@@H](CN(C)C)c1cccc(C(F)(F)F)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000895691698 663523436 /nfs/dbraw/zinc/52/34/36/663523436.db2.gz KVOVPJHKYUSOIO-BJJXKVORSA-N 1 0 378.460 2.721 20 0 GFADRO O=C(NC1CC[NH+](CC2CCCC2)CC1)c1nn2c(c1Br)CCC2 ZINC000895955502 663534797 /nfs/dbraw/zinc/53/47/97/663534797.db2.gz CLGKBUNEZOXCPI-UHFFFAOYSA-N 1 0 395.345 2.976 20 0 GFADRO O=C(COCCc1ccc(Br)cc1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000896106885 663541049 /nfs/dbraw/zinc/54/10/49/663541049.db2.gz YUZGKKXGPCETSJ-QGZVFWFLSA-N 1 0 381.314 2.705 20 0 GFADRO Cc1cc(C)c(CC(=O)N[C@H](C)CN2CC[NH+](C)CC2)c(C)c1Br ZINC000896222371 663545747 /nfs/dbraw/zinc/54/57/47/663545747.db2.gz ZIWQKTAQZKIOJC-OAHLLOKOSA-N 1 0 396.373 2.669 20 0 GFADRO C[C@@H](NC(=O)C(F)(F)c1cccc(Cl)c1Cl)[C@H]1C[N@H+](C)CCN1C ZINC000896534167 663562015 /nfs/dbraw/zinc/56/20/15/663562015.db2.gz KSWZSHFSQDNSNZ-ZWNOBZJWSA-N 1 0 380.266 2.836 20 0 GFADRO C[C@@H](NC(=O)c1cccc2cccc(Br)c21)[C@H]1C[N@H+](C)CCN1C ZINC000896539690 663562122 /nfs/dbraw/zinc/56/21/22/663562122.db2.gz AGRGIYGTOXAKOV-CXAGYDPISA-N 1 0 390.325 2.966 20 0 GFADRO C[C@H](NC(=O)c1cc(Br)c2ccccc2c1)[C@H]1C[N@H+](C)CCN1C ZINC000896540971 663562387 /nfs/dbraw/zinc/56/23/87/663562387.db2.gz ZGJASIREGGNQET-SCLBCKFNSA-N 1 0 390.325 2.966 20 0 GFADRO C[C@H](NC(=O)c1ccc2cc(Br)ccc2c1)[C@@H]1C[N@H+](C)CCN1C ZINC000896552209 663563741 /nfs/dbraw/zinc/56/37/41/663563741.db2.gz JIEPUSOOSLCBIG-UGSOOPFHSA-N 1 0 390.325 2.966 20 0 GFADRO C[C@H](NC(=O)c1csc(-c2ccc(Cl)s2)n1)[C@@H]1C[N@H+](C)CCN1C ZINC000896570497 663565253 /nfs/dbraw/zinc/56/52/53/663565253.db2.gz ZLSGUAPUEDXNJG-JQWIXIFHSA-N 1 0 384.958 2.889 20 0 GFADRO C[C@H](NC(=O)c1csc(-c2cccc(Cl)c2)n1)[C@@H]1C[N@H+](C)CCN1C ZINC000896576481 663566151 /nfs/dbraw/zinc/56/61/51/663566151.db2.gz HTSFHMZNXRIBMD-LRDDRELGSA-N 1 0 378.929 2.828 20 0 GFADRO Cc1[nH]nc(I)c1C(=O)NCCC[NH+](C(C)C)C(C)C ZINC000896790459 663576182 /nfs/dbraw/zinc/57/61/82/663576182.db2.gz MNOGVYMUUCRBDZ-UHFFFAOYSA-N 1 0 392.285 2.561 20 0 GFADRO FC(F)(F)CN1CCC[C@@H]1C[NH2+]Cc1sc(N2CCOCC2)nc1Cl ZINC000896838038 663578846 /nfs/dbraw/zinc/57/88/46/663578846.db2.gz APXPJZKDVBOJHE-LLVKDONJSA-N 1 0 398.882 2.749 20 0 GFADRO CN(C)c1cc(Cl)cc(Cl)c1C[NH+]1CCC2(CC1)C[C@@H](O)CNC2=O ZINC000897043912 663587995 /nfs/dbraw/zinc/58/79/95/663587995.db2.gz WTLMFVOIPOMBMG-CYBMUJFWSA-N 1 0 386.323 2.522 20 0 GFADRO C[C@H](Cc1cc(Br)ccc1F)NC(=O)C1C[NH+](C2CCOCC2)C1 ZINC000897211194 663594701 /nfs/dbraw/zinc/59/47/01/663594701.db2.gz OISPKVMOOPIFPA-GFCCVEGCSA-N 1 0 399.304 2.746 20 0 GFADRO O[C@H]1CCOC2(CC[NH+](Cc3ccccc3I)CC2)C1 ZINC000897261538 663597163 /nfs/dbraw/zinc/59/71/63/663597163.db2.gz IHWKPDUSKJOIES-AWEZNQCLSA-N 1 0 387.261 2.797 20 0 GFADRO CO[C@@]1(C(=O)NC[C@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)CCSC1 ZINC000897416061 663605094 /nfs/dbraw/zinc/60/50/94/663605094.db2.gz PBOGHDXNQNVUQM-ZBFHGGJFSA-N 1 0 376.444 2.946 20 0 GFADRO Cc1[nH+]ccc(N2CCC(CN=[S@@](C)(=O)N(C)C)CC2)c1Br ZINC000897456104 663606252 /nfs/dbraw/zinc/60/62/52/663606252.db2.gz BEOXUGTVYQDPIG-JOCHJYFZSA-N 1 0 389.363 2.943 20 0 GFADRO COC[C@@H](Cc1ccccc1)[NH2+][C@H]1Cc2cc(Br)cnc2NC1=O ZINC000897976909 663627779 /nfs/dbraw/zinc/62/77/79/663627779.db2.gz DJYUJULONSGIMK-CVEARBPZSA-N 1 0 390.281 2.555 20 0 GFADRO CO[C@H](C[NH2+][C@@H]1Cc2cc(Br)cnc2NC1=O)Cc1ccccc1 ZINC000897977425 663627974 /nfs/dbraw/zinc/62/79/74/663627974.db2.gz FYLFRNNPSYQAGE-JKSUJKDBSA-N 1 0 390.281 2.555 20 0 GFADRO COCc1csc(C[NH2+][C@H]2Cc3cc(Br)cnc3NC2=O)c1 ZINC000897978167 663628379 /nfs/dbraw/zinc/62/83/79/663628379.db2.gz LWDPRVADXCNPIG-ZDUSSCGKSA-N 1 0 382.283 2.705 20 0 GFADRO CC1(C)CC2(CC([NH2+][C@H]3Cc4cc(Br)cnc4NC3=O)C2)CO1 ZINC000897978664 663628720 /nfs/dbraw/zinc/62/87/20/663628720.db2.gz SNEKYKTWNDHPLF-JZLYGMAVSA-N 1 0 380.286 2.645 20 0 GFADRO Cn1cc([C@]2(C[NH2+]Cc3cc(Br)cc4c3OCC4)CCCO2)cn1 ZINC000898056014 663631518 /nfs/dbraw/zinc/63/15/18/663631518.db2.gz BFQOPBBUDBGCPT-GOSISDBHSA-N 1 0 392.297 2.913 20 0 GFADRO C[N@@H+]1CCC[C@@H](CCNC(=O)C(=O)NCCc2ccc(Cl)c(Cl)c2)C1 ZINC000898067741 663632116 /nfs/dbraw/zinc/63/21/16/663632116.db2.gz AZUDNPLVRNWUAW-AWEZNQCLSA-N 1 0 386.323 2.500 20 0 GFADRO CC(C)n1cc(Br)cc1C(=O)N1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000898118843 663634609 /nfs/dbraw/zinc/63/46/09/663634609.db2.gz YCPIJMIVVBGHQY-UHFFFAOYSA-N 1 0 398.345 2.798 20 0 GFADRO O[C@@H]1C[N@H+](Cc2cnn3cc(Br)cnc23)C[C@H]1Cc1ccccc1 ZINC000898142393 663635078 /nfs/dbraw/zinc/63/50/78/663635078.db2.gz MYBYMLAHJWJELD-RHSMWYFYSA-N 1 0 387.281 2.527 20 0 GFADRO COc1ccc([C@H](C)[NH2+][C@H]2CCN(c3cc(=O)[nH]cn3)C2)c(Br)c1 ZINC000898152434 663636022 /nfs/dbraw/zinc/63/60/22/663636022.db2.gz IEFQSNMKFAIJKI-RYUDHWBXSA-N 1 0 393.285 2.883 20 0 GFADRO Cn1c(=O)oc2cc(C[NH2+][C@@](C)(CO)c3cccc(Br)c3)ccc21 ZINC000898168875 663636931 /nfs/dbraw/zinc/63/69/31/663636931.db2.gz SMGVQQUGKRWMTO-SFHVURJKSA-N 1 0 391.265 2.891 20 0 GFADRO COc1cc(C[NH2+][C@H]2CCN(c3cn[nH]c(=O)c3Cl)C2)ccc1SC ZINC000898364486 663644613 /nfs/dbraw/zinc/64/46/13/663644613.db2.gz MQRDQQWDOXWRSF-LBPRGKRZSA-N 1 0 380.901 2.935 20 0 GFADRO CC[C@@H]1C[C@H]([NH2+][C@H](CO)c2ccccc2I)CCO1 ZINC000898511213 663653316 /nfs/dbraw/zinc/65/33/16/663653316.db2.gz AUNNJWUAXNVGFX-LALPHHSUSA-N 1 0 375.250 2.872 20 0 GFADRO Cn1cc(C[N@@H+]2CCCC[C@H]([C@@H]3CCOC3)C2)c(I)n1 ZINC000898511601 663653534 /nfs/dbraw/zinc/65/35/34/663653534.db2.gz CEGPJVGCACZVKC-QWHCGFSZSA-N 1 0 389.281 2.663 20 0 GFADRO C[N@@H+]1CC[C@@H](N[C@@H](CO)c2ccccc2I)CC1(C)C ZINC000898511558 663653591 /nfs/dbraw/zinc/65/35/91/663653591.db2.gz DWGVKGUGYXAQKA-DOMZBBRYSA-N 1 0 388.293 2.787 20 0 GFADRO O=C(NC1CC[NH+](C2CCOCC2)CC1)c1ccc(Br)cc1O ZINC000898631550 663658637 /nfs/dbraw/zinc/65/86/37/663658637.db2.gz XYYPDCAJPIULAX-UHFFFAOYSA-N 1 0 383.286 2.528 20 0 GFADRO O=C(Cc1ccc(Br)cc1F)NC1CC[NH+](C2CCOCC2)CC1 ZINC000898636568 663658677 /nfs/dbraw/zinc/65/86/77/663658677.db2.gz GGPDAPXSOUCEAP-UHFFFAOYSA-N 1 0 399.304 2.890 20 0 GFADRO O=C(NC1CC1)c1ccc(C[NH2+][C@H]2CCc3ncc(Br)n3C2)cc1 ZINC000898727316 663661865 /nfs/dbraw/zinc/66/18/65/663661865.db2.gz UVQMLYSTNYQIAW-HNNXBMFYSA-N 1 0 389.297 2.642 20 0 GFADRO O=C(N[C@@H](CCO)c1cc(Cl)cc(Cl)c1)C1C[NH+](C2CCOCC2)C1 ZINC000899147114 663677547 /nfs/dbraw/zinc/67/75/47/663677547.db2.gz ANDTUUCAYLOFIC-KRWDZBQOSA-N 1 0 387.307 2.644 20 0 GFADRO C[C@@H]1[C@H](C(=O)N[C@H](c2nccn2C)c2ccc(Br)cc2)CC[N@@H+]1C ZINC000899334043 663683783 /nfs/dbraw/zinc/68/37/83/663683783.db2.gz WLWPCGYDECCRBO-WQVCFCJDSA-N 1 0 391.313 2.728 20 0 GFADRO [NH3+][C@H](c1cn([C@H]2CCOc3ccc(Br)cc32)nn1)[C@H]1CCCO1 ZINC000899738788 663699801 /nfs/dbraw/zinc/69/98/01/663699801.db2.gz JFQYIZFYZJBHKW-NUEKZKHPSA-N 1 0 379.258 2.591 20 0 GFADRO CN(CC(=O)Nc1ccccc1Br)C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000899957576 663704415 /nfs/dbraw/zinc/70/44/15/663704415.db2.gz WSNCNBIMOSDQFG-CZUORRHYSA-N 1 0 394.313 2.863 20 0 GFADRO C[NH2+]C[C@H](C)c1noc(-c2cc(Br)cnc2Br)n1 ZINC000900006702 663706374 /nfs/dbraw/zinc/70/63/74/663706374.db2.gz VXOQWOFDINHGPJ-LURJTMIESA-N 1 0 376.052 2.980 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)c1cc2ncc(Br)cn2n1)c1ccsc1 ZINC000900136932 663708920 /nfs/dbraw/zinc/70/89/20/663708920.db2.gz SUQYEHKDFCJXQR-CYBMUJFWSA-N 1 0 394.298 2.586 20 0 GFADRO C[N@@H+]1CCC[C@](O)(CC(=O)Nc2cc(Cl)ccc2N2CCSCC2)C1 ZINC000900468048 663715084 /nfs/dbraw/zinc/71/50/84/663715084.db2.gz QGPSUZLVRLDKRJ-SFHVURJKSA-N 1 0 383.945 2.679 20 0 GFADRO COc1ccc(Br)c(NC(=O)CCN2CC[NH+](C(C)C)CC2)c1 ZINC000900472319 663715193 /nfs/dbraw/zinc/71/51/93/663715193.db2.gz SUBCWLIHOXAGNK-UHFFFAOYSA-N 1 0 384.318 2.812 20 0 GFADRO O=C(N[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ncc(Br)s1 ZINC000900486293 663715501 /nfs/dbraw/zinc/71/55/01/663715501.db2.gz RKZCHGFGJDRCPR-MEDUHNTESA-N 1 0 394.294 2.891 20 0 GFADRO CCC[C@H]([NH3+])c1cn(Cc2cc(OC)c(C(=O)OC)cc2Br)nn1 ZINC000900596017 663717712 /nfs/dbraw/zinc/71/77/12/663717712.db2.gz YQGCBMBBNSLQMI-ZDUSSCGKSA-N 1 0 397.273 2.684 20 0 GFADRO Cc1cc(Cn2cc(CCCC[NH3+])nn2)c(C)cc1I ZINC000900606408 663717988 /nfs/dbraw/zinc/71/79/88/663717988.db2.gz ZJHUMFFBCNPUPX-UHFFFAOYSA-N 1 0 384.265 2.829 20 0 GFADRO C[C@H](NC(=O)COc1c(Cl)cc(Cl)cc1Cl)[C@@H]1C[N@H+](C)CCN1C ZINC000900812134 663722143 /nfs/dbraw/zinc/72/21/43/663722143.db2.gz RYMWJDBFUHZBEC-HZMBPMFUSA-N 1 0 394.730 2.776 20 0 GFADRO C[N@@H+]1CCC[C@](O)(CC(=O)Nc2nnc(Cc3cccc(Cl)c3)s2)C1 ZINC000900875149 663723191 /nfs/dbraw/zinc/72/31/91/663723191.db2.gz DTABFKBSDWWUDI-KRWDZBQOSA-N 1 0 380.901 2.568 20 0 GFADRO CC[N@H+](C)[C@H](C(=O)N[C@@H]1CCc2ncc(Br)n2C1)c1ccccc1 ZINC000900926119 663725916 /nfs/dbraw/zinc/72/59/16/663725916.db2.gz HNAMOJXTHPEJKR-PBHICJAKSA-N 1 0 391.313 2.770 20 0 GFADRO Cc1[nH]nc(I)c1C(=O)Nc1cc(C[NH+](C)C)ccc1C ZINC000900953982 663727419 /nfs/dbraw/zinc/72/74/19/663727419.db2.gz FFGLWXUYMNXZKR-UHFFFAOYSA-N 1 0 398.248 2.945 20 0 GFADRO Cc1ccc(F)c(Br)c1C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000901057146 663729600 /nfs/dbraw/zinc/72/96/00/663729600.db2.gz DDDHCAFUSRGLLA-CYBMUJFWSA-N 1 0 385.277 2.880 20 0 GFADRO [NH3+]C1CCN(CCc2cc(C(=O)Nc3ccccc3Br)no2)CC1 ZINC000901389773 663735040 /nfs/dbraw/zinc/73/50/40/663735040.db2.gz ATKSUQOLMSFANA-UHFFFAOYSA-N 1 0 393.285 2.655 20 0 GFADRO C[C@H]([NH2+][C@H]1CCc2ncc(Br)n2C1)C(=O)NC1CCC(C)CC1 ZINC000901726858 663743546 /nfs/dbraw/zinc/74/35/46/663743546.db2.gz BYMRPBMCXOZXKU-YIOUJQMASA-N 1 0 383.334 2.633 20 0 GFADRO Cc1cccc(NC(=O)[C@@H](C)[NH2+][C@@H]2CCc3ncc(Br)n3C2)c1 ZINC000901726779 663743550 /nfs/dbraw/zinc/74/35/50/663743550.db2.gz AUTGQEMNBAYTRJ-TZMCWYRMSA-N 1 0 377.286 2.886 20 0 GFADRO Cc1cc(Br)ccc1C(=O)N1CCC(N[C@@H]2C[NH2+]CC2(C)C)CC1 ZINC000902440900 663761307 /nfs/dbraw/zinc/76/13/07/663761307.db2.gz BBFXSDDWOHOLRT-QGZVFWFLSA-N 1 0 394.357 2.950 20 0 GFADRO OCC[N@@H+]1CCC[C@H]2[C@H]1CCN2Cn1nc(-c2ccccc2)sc1=S ZINC000902645408 663765040 /nfs/dbraw/zinc/76/50/40/663765040.db2.gz UNWMKFMPJVZNLN-JKSUJKDBSA-N 1 0 376.551 2.830 20 0 GFADRO C[C@H]([NH2+]CC1(c2ccc(Br)cc2)CCOCC1)c1cn(C)nn1 ZINC000902787293 663767463 /nfs/dbraw/zinc/76/74/63/663767463.db2.gz ZIQYEUMBLDHXBM-ZDUSSCGKSA-N 1 0 379.302 2.977 20 0 GFADRO CCCn1cc([C@@H](C)[NH2+]C[C@H](CO)Cc2cccc(Br)c2)nn1 ZINC000902972805 663770162 /nfs/dbraw/zinc/77/01/62/663770162.db2.gz IOAFAUZKETUPEX-UKRRQHHQSA-N 1 0 381.318 2.952 20 0 GFADRO C[C@@H]([NH2+]CCn1cc(Br)ccc1=O)c1cnn(CC2CCC2)c1 ZINC000903177958 663777155 /nfs/dbraw/zinc/77/71/55/663777155.db2.gz SRNKUOAPEWWHIF-CYBMUJFWSA-N 1 0 379.302 2.958 20 0 GFADRO C[C@H]([NH2+]C[C@@H]1CC[C@H](C(F)(F)F)O1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000903180990 663777389 /nfs/dbraw/zinc/77/73/89/663777389.db2.gz LQBRDTSKMMIZQW-CORIIIEPSA-N 1 0 380.432 2.697 20 0 GFADRO CCS(=O)(=O)C1(C[NH2+][C@H](C)c2cccc(S(=O)(=O)C(F)(F)F)c2)CC1 ZINC000903202926 663778358 /nfs/dbraw/zinc/77/83/58/663778358.db2.gz GJWVGKHCWOWVJO-LLVKDONJSA-N 1 0 399.456 2.598 20 0 GFADRO CS(C)(=O)=NS(=O)(=O)CC[NH2+][C@@H]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000903226129 663779050 /nfs/dbraw/zinc/77/90/50/663779050.db2.gz LJFYEHSKLMEZEB-UKRRQHHQSA-N 1 0 378.947 2.623 20 0 GFADRO CC[C@@H](CSc1ccc(Cl)cc1)[NH2+]CCS(=O)(=O)N=S(C)(C)=O ZINC000903229574 663779522 /nfs/dbraw/zinc/77/95/22/663779522.db2.gz JOITUUMABWNHIQ-ZDUSSCGKSA-N 1 0 399.003 2.858 20 0 GFADRO COc1ccc2cc([C@@H](C)[NH2+]CCS(=O)(=O)N=S(C)(C)=O)ccc2c1 ZINC000903232149 663779796 /nfs/dbraw/zinc/77/97/96/663779796.db2.gz ULCGIQLSDMGGQZ-CYBMUJFWSA-N 1 0 384.523 2.556 20 0 GFADRO CO[C@@]1(C[NH2+][C@@H](c2ccc(Br)s2)C2CC2)CCS(=O)(=O)C1 ZINC000903362091 663782582 /nfs/dbraw/zinc/78/25/82/663782582.db2.gz CPXTZGALENDKGN-ZIAGYGMSSA-N 1 0 394.356 2.755 20 0 GFADRO CO[C@@]1(C[NH2+][C@H]2CCc3cc(Br)cc(C)c32)CCS(=O)(=O)C1 ZINC000903363671 663782666 /nfs/dbraw/zinc/78/26/66/663782666.db2.gz QNIGMUNRXIHLBX-GOEBONIOSA-N 1 0 388.327 2.538 20 0 GFADRO O=c1ccn(CCC[NH2+][C@@H]2CCc3c2cc(Br)cc3F)c(=O)[nH]1 ZINC000903432139 663784581 /nfs/dbraw/zinc/78/45/81/663784581.db2.gz IDRFWENGISGIBM-CQSZACIVSA-N 1 0 382.233 2.518 20 0 GFADRO C[C@H]([NH2+][C@H]1COC[C@@H]1C1CC1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000903438215 663784842 /nfs/dbraw/zinc/78/48/42/663784842.db2.gz STUCPRMGIJGSNM-UPLXVJCVSA-N 1 0 379.309 2.716 20 0 GFADRO C[C@@H](N[C@H]1CC[NH2+]C12CCC2)C(=O)N(C)Cc1ccc(Br)cc1 ZINC000903468837 663785105 /nfs/dbraw/zinc/78/51/05/663785105.db2.gz OPJJAVYAVBNATI-CJNGLKHVSA-N 1 0 380.330 2.670 20 0 GFADRO C[C@@H]([NH2+][C@H]1CCc2ncc(Br)n2C1)c1ccc(-n2cncn2)cc1 ZINC000903477743 663785299 /nfs/dbraw/zinc/78/52/99/663785299.db2.gz GYJSHTGWYCBCKP-OCCSQVGLSA-N 1 0 387.285 2.892 20 0 GFADRO Cn1cc(C[C@@H]2CCC[C@H]2[NH2+][C@@H]2CCc3ncc(Br)n3C2)cn1 ZINC000903479633 663785357 /nfs/dbraw/zinc/78/53/57/663785357.db2.gz MFMYCIYPSWTDHM-RRFJBIMHSA-N 1 0 378.318 2.695 20 0 GFADRO C[C@@H](NS(=O)(=O)c1c[nH]c2cc(Br)ccc21)[C@H]1CCC[NH2+]C1 ZINC000903484337 663785620 /nfs/dbraw/zinc/78/56/20/663785620.db2.gz YMWINSAZUPZYOW-MNOVXSKESA-N 1 0 386.315 2.597 20 0 GFADRO CN(Cc1cc(Br)cs1)C(=O)CN[C@H]1CC[NH2+]C12CCCC2 ZINC000903485135 663785648 /nfs/dbraw/zinc/78/56/48/663785648.db2.gz IXCUYMJCOOWVSP-AWEZNQCLSA-N 1 0 386.359 2.733 20 0 GFADRO [NH3+][C@H]1CCO[C@@H](C2CCN(S(=O)(=O)c3cc4ccccc4s3)CC2)C1 ZINC000903504363 663785857 /nfs/dbraw/zinc/78/58/57/663785857.db2.gz SOFXRCLILGDWML-JKSUJKDBSA-N 1 0 380.535 2.808 20 0 GFADRO CC1(CNS(=O)(=O)Cc2cccc(Cl)c2Br)CC[NH2+]CC1 ZINC000903518058 663786702 /nfs/dbraw/zinc/78/67/02/663786702.db2.gz KBCJEWDGCIOFKU-UHFFFAOYSA-N 1 0 395.750 2.912 20 0 GFADRO [NH3+]CC[C@@H]1CCCN(S(=O)(=O)Cc2cccc(Cl)c2Br)C1 ZINC000903517197 663786759 /nfs/dbraw/zinc/78/67/59/663786759.db2.gz CSRKTDWTZMTORX-NSHDSACASA-N 1 0 395.750 2.993 20 0 GFADRO COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)N1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903518437 663786895 /nfs/dbraw/zinc/78/68/95/663786895.db2.gz NQZZBPVRKQXTBZ-HOSYDEDBSA-N 1 0 379.810 2.805 20 0 GFADRO O=S(=O)(Cc1cccc(Cl)c1Br)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000903525928 663787367 /nfs/dbraw/zinc/78/73/67/663787367.db2.gz VXLRWSQMJRFPDI-OLZOCXBDSA-N 1 0 393.734 2.759 20 0 GFADRO [NH3+][C@@H]1CN(CCC(=O)Nc2ccccc2Br)CC[C@@H]1C(F)(F)F ZINC000903535690 663787783 /nfs/dbraw/zinc/78/77/83/663787783.db2.gz QEPIMIZJXMASSU-CMPLNLGQSA-N 1 0 394.235 2.989 20 0 GFADRO [NH3+]CC1([C@@H]2CCCCN2S(=O)(=O)c2c(Cl)nc3ccccn32)CCC1 ZINC000903547530 663788228 /nfs/dbraw/zinc/78/82/28/663788228.db2.gz RUVLIBBOCHLNCS-ZDUSSCGKSA-N 1 0 382.917 2.660 20 0 GFADRO [NH3+]CC1([C@H]2CCCCN2S(=O)(=O)c2cnccc2C(F)(F)F)CCC1 ZINC000903548315 663788391 /nfs/dbraw/zinc/78/83/91/663788391.db2.gz ZYTUONJCICHDQS-CQSZACIVSA-N 1 0 377.432 2.773 20 0 GFADRO [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(S(=O)(=O)Cc1cccc(Cl)c1Br)C2 ZINC000903577959 663789767 /nfs/dbraw/zinc/78/97/67/663789767.db2.gz ZRACGFHKGJQYPN-WCQGTBRESA-N 1 0 393.734 2.744 20 0 GFADRO [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(S(=O)(=O)Cc1ccc(Br)cc1Cl)C2 ZINC000903578513 663789922 /nfs/dbraw/zinc/78/99/22/663789922.db2.gz BCRQKKQUCIJUMR-XDTLVQLUSA-N 1 0 393.734 2.744 20 0 GFADRO [NH3+][C@H]1CN(S(=O)(=O)c2ccc3nc(Cl)sc3c2)CC[C@H]1C(F)(F)F ZINC000903578390 663789934 /nfs/dbraw/zinc/78/99/34/663789934.db2.gz GZPQRWJPTOJIHC-BDAKNGLRSA-N 1 0 399.847 2.850 20 0 GFADRO [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(S(=O)(=O)Cc1ccc(Br)cc1Cl)C2 ZINC000903578512 663789958 /nfs/dbraw/zinc/78/99/58/663789958.db2.gz BCRQKKQUCIJUMR-BIMULSAOSA-N 1 0 393.734 2.744 20 0 GFADRO [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(S(=O)(=O)Cc1cc(Cl)ccc1Br)C2 ZINC000903579934 663790054 /nfs/dbraw/zinc/79/00/54/663790054.db2.gz RDGGCGVHXIPWTG-XDTLVQLUSA-N 1 0 393.734 2.744 20 0 GFADRO [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(S(=O)(=O)c1cccc(Cl)c1Br)C2 ZINC000903580471 663790342 /nfs/dbraw/zinc/79/03/42/663790342.db2.gz YKJAEZJGQNTQQD-AEJSXWLSSA-N 1 0 379.707 2.603 20 0 GFADRO [NH3+][C@H]1CN(S(=O)(=O)c2ccc3ccnc(Cl)c3c2)CC[C@H]1C(F)(F)F ZINC000903581624 663790433 /nfs/dbraw/zinc/79/04/33/663790433.db2.gz ORPKBIPZMWXXCS-OLZOCXBDSA-N 1 0 393.818 2.788 20 0 GFADRO C[C@]12CCN(C[C@@H]([NH3+])CC(F)F)C[C@H]1C2(Br)Br ZINC000903932780 663812519 /nfs/dbraw/zinc/81/25/19/663812519.db2.gz GVNNIYXZZSPFQS-XKSSXDPKSA-N 1 0 376.083 2.797 20 0 GFADRO [NH3+]C[C@]12CC[C@@H]1CCN2S(=O)(=O)c1cc(Cl)ccc1Br ZINC000903590620 663790793 /nfs/dbraw/zinc/79/07/93/663790793.db2.gz XUMGJDQAJWRZOG-NOZJJQNGSA-N 1 0 379.707 2.604 20 0 GFADRO Brc1cnc([C@@H]2CCCCN2C[C@@H]2CC3(CO2)CC[NH2+]CC3)nc1 ZINC000903786246 663806675 /nfs/dbraw/zinc/80/66/75/663806675.db2.gz GYONNXBIXSRONP-HOTGVXAUSA-N 1 0 395.345 2.925 20 0 GFADRO CC(C)(C[NH3+])C1CCN([C@H](C(N)=O)c2ccc(Br)cc2F)CC1 ZINC000903790551 663807010 /nfs/dbraw/zinc/80/70/10/663807010.db2.gz OAGBFUKMEQVBAS-HNNXBMFYSA-N 1 0 386.309 2.812 20 0 GFADRO [NH3+]CC1([C@H]2CCCCN2CC(=O)Nc2ccc(Br)cn2)CCC1 ZINC000903816592 663807600 /nfs/dbraw/zinc/80/76/00/663807600.db2.gz ZNNYRQRUHLUWDE-CQSZACIVSA-N 1 0 381.318 2.766 20 0 GFADRO OCCN(Cc1cnnn1[C@@H]1CCC[NH2+]C1)Cc1ccc(Cl)c(Cl)c1 ZINC000903896347 663810399 /nfs/dbraw/zinc/81/03/99/663810399.db2.gz BMJGAWKQNYJICX-CQSZACIVSA-N 1 0 384.311 2.504 20 0 GFADRO CC1(C)C[NH2+]C[C@@H]1c1nc(Cc2cc3c(cc2Br)OCO3)no1 ZINC000904102885 663824145 /nfs/dbraw/zinc/82/41/45/663824145.db2.gz GNVOUVCCXUZYMO-SNVBAGLBSA-N 1 0 380.242 2.865 20 0 GFADRO COc1ccc(Br)c(NC(=O)N2CC[NH2+]CCC23CCOCC3)c1 ZINC000904324617 663830445 /nfs/dbraw/zinc/83/04/45/663830445.db2.gz ZEZVDXPLDAOXFR-UHFFFAOYSA-N 1 0 398.301 2.834 20 0 GFADRO O=C(Nc1cc(Br)ccc1-n1cccn1)N1CCC[C@@]12CC[NH2+]C2 ZINC000904335674 663830663 /nfs/dbraw/zinc/83/06/63/663830663.db2.gz IXQBCFCZNIJRST-KRWDZBQOSA-N 1 0 390.285 2.995 20 0 GFADRO O=C(Nc1cnc(Br)c(Br)c1)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000904372862 663831723 /nfs/dbraw/zinc/83/17/23/663831723.db2.gz IMROSUCSKBYWIX-WHFVKQHSSA-N 1 0 390.079 2.621 20 0 GFADRO Cc1cc(NC(=O)N2CC[NH2+]CCC23CCOCC3)cnc1Br ZINC000904416098 663833337 /nfs/dbraw/zinc/83/33/37/663833337.db2.gz HEDHWRVPGFMMGN-UHFFFAOYSA-N 1 0 383.290 2.529 20 0 GFADRO C[C@]1(CN2CCn3c(c(Br)nc3C(F)(F)F)C2)CCC[NH2+]C1 ZINC000904469232 663835402 /nfs/dbraw/zinc/83/54/02/663835402.db2.gz KADJYTLTLDHZDW-ZDUSSCGKSA-N 1 0 381.240 2.870 20 0 GFADRO COCC[C@H]1C[NH2+]CCN1C(=O)Nc1cccc2c(Br)ccnc12 ZINC000904494680 663836343 /nfs/dbraw/zinc/83/63/43/663836343.db2.gz PDMKQHSZSUFBES-LBPRGKRZSA-N 1 0 393.285 2.840 20 0 GFADRO COCCOc1ccc(NC(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)cc1Br ZINC000904550573 663837781 /nfs/dbraw/zinc/83/77/81/663837781.db2.gz GTENTOKLBPRQNM-CQSZACIVSA-N 1 0 398.301 2.833 20 0 GFADRO CC(C)([NH3+])c1ccc(NC(=O)N2CCn3ncc(Br)c3C2)cc1 ZINC000904604259 663838761 /nfs/dbraw/zinc/83/87/61/663838761.db2.gz NNKATYVMZSTTCG-UHFFFAOYSA-N 1 0 378.274 2.887 20 0 GFADRO COc1cc(Br)ccc1-c1noc(C2([C@@H](C)[NH3+])CCOCC2)n1 ZINC000904673975 663840113 /nfs/dbraw/zinc/84/01/13/663840113.db2.gz KXDFRODKPWGUAE-SNVBAGLBSA-N 1 0 382.258 2.903 20 0 GFADRO C[C@@H](c1noc([C@]23C[NH2+]C[C@H]2CCOC3)n1)c1ccc(Br)cc1 ZINC000904678509 663840387 /nfs/dbraw/zinc/84/03/87/663840387.db2.gz UQECLBFMQLKQBI-NDGTYSDOSA-N 1 0 378.270 2.861 20 0 GFADRO OCC1(C[C@H](O)C[NH2+][C@@H]2CCN(c3ccccc3Br)C2)CCCC1 ZINC000905105412 663853520 /nfs/dbraw/zinc/85/35/20/663853520.db2.gz VXQREBLLZXODJH-CVEARBPZSA-N 1 0 397.357 2.921 20 0 GFADRO C[C@H]1C[C@H]([NH2+]C[C@H](O)c2ccc(Cl)c(Cl)c2)C(=O)N1c1cnn(C)c1 ZINC000905144452 663855180 /nfs/dbraw/zinc/85/51/80/663855180.db2.gz JFKWGVYASWZELO-HNHYXYPQSA-N 1 0 383.279 2.544 20 0 GFADRO O[C@H](C[NH2+]CCSCc1ccc(Cl)cc1Cl)C[C@]1(O)CCOC1 ZINC000905198697 663857985 /nfs/dbraw/zinc/85/79/85/663857985.db2.gz BJDJLIJBEKFNOT-GOEBONIOSA-N 1 0 380.337 2.719 20 0 GFADRO O=S(=O)(CC1CC[NH2+]CC1)N1CCC[C@H](CNc2ccc(Cl)cc2)C1 ZINC000905363919 663867590 /nfs/dbraw/zinc/86/75/90/663867590.db2.gz ZXPSQXZHJPPJFH-MRXNPFEDSA-N 1 0 385.961 2.793 20 0 GFADRO O[C@@H](C[NH2+]C[C@@H](O)C[C@H](O)c1ccccc1)c1cccc(Br)c1 ZINC000905369861 663867929 /nfs/dbraw/zinc/86/79/29/663867929.db2.gz DBHLIHPCYVOVAD-BZSNNMDCSA-N 1 0 380.282 2.557 20 0 GFADRO O[C@@H](C[NH2+]C[C@@H](O)C(F)(F)C(F)(F)F)c1ccccc1Br ZINC000905447382 663871994 /nfs/dbraw/zinc/87/19/94/663871994.db2.gz QNSCIJZTPFQCIR-VHSXEESVSA-N 1 0 378.135 2.631 20 0 GFADRO C[C@](O)(C[NH2+][C@@H](CO)C[C@@H]1CCCO1)c1ccc(Br)cc1Cl ZINC000905460360 663872580 /nfs/dbraw/zinc/87/25/80/663872580.db2.gz LNODITUKKXCUGW-WWGRRREGSA-N 1 0 392.721 2.830 20 0 GFADRO CO[C@]1(C[NH2+]C[C@](C)(O)c2ccc(Br)cc2F)CCSC1 ZINC000905546129 663877754 /nfs/dbraw/zinc/87/77/54/663877754.db2.gz IIFVLBUYEMPXEF-GJZGRUSLSA-N 1 0 378.307 2.907 20 0 GFADRO CS(=O)(=O)c1ccccc1CC[NH2+]C[C@H](O)c1ccccc1Br ZINC000905554371 663878050 /nfs/dbraw/zinc/87/80/50/663878050.db2.gz DIDWFFORXHQZFO-INIZCTEOSA-N 1 0 398.322 2.718 20 0 GFADRO O[C@H](C[NH2+]C[C@@H]1CCN1C1CCOCC1)COc1ccc(Cl)c(Cl)c1 ZINC000905620146 663882035 /nfs/dbraw/zinc/88/20/35/663882035.db2.gz CFBIBAVCSDWSJT-LSDHHAIUSA-N 1 0 389.323 2.576 20 0 GFADRO O=S(=O)(CC[NH2+]CC[C@H]1CCCC[C@H]1O)c1cccc(Br)c1 ZINC000905654331 663883996 /nfs/dbraw/zinc/88/39/96/663883996.db2.gz YFSRPGFVAYSFFF-CZUORRHYSA-N 1 0 390.343 2.754 20 0 GFADRO Cn1cc([C@@]2(C[NH2+]C[C@H](O)c3ccc(F)c(Br)c3)CCCO2)cn1 ZINC000905685090 663886381 /nfs/dbraw/zinc/88/63/81/663886381.db2.gz CMBLXXHNSFGNLD-IRXDYDNUSA-N 1 0 398.276 2.651 20 0 GFADRO O=S(=O)(CC[NH2+]Cc1ccc(CCO)cc1)c1cccc(Br)c1 ZINC000905693314 663887000 /nfs/dbraw/zinc/88/70/00/663887000.db2.gz COQRNWQRXLWGIF-UHFFFAOYSA-N 1 0 398.322 2.547 20 0 GFADRO O=C1N[C@]2(CCC[NH2+]C2)C(=O)N1Cc1cc(Br)c2ccccc2c1 ZINC000905735967 663889996 /nfs/dbraw/zinc/88/99/96/663889996.db2.gz ZAWKQZUXPMIRGH-SFHVURJKSA-N 1 0 388.265 2.776 20 0 GFADRO CN1CC[N@H+](C)CC(C(=O)Nc2cc(Cl)ccc2OCC(F)(F)F)C1 ZINC000905853292 663896857 /nfs/dbraw/zinc/89/68/57/663896857.db2.gz JLWKXEQAGXQEGE-UHFFFAOYSA-N 1 0 379.810 2.713 20 0 GFADRO CC[NH+](CC)CCN(C(=O)CSc1nncn1C)c1ccc(Cl)cc1 ZINC000906031464 663911478 /nfs/dbraw/zinc/91/14/78/663911478.db2.gz ILZKQLNOQSSCHS-UHFFFAOYSA-N 1 0 381.933 2.936 20 0 GFADRO CCOc1c(Br)cc(C(=O)N(C)c2cc(C[NH3+])ccn2)cc1OC ZINC000906221031 663932460 /nfs/dbraw/zinc/93/24/60/663932460.db2.gz HSESWGPRTYVVBV-UHFFFAOYSA-N 1 0 394.269 2.987 20 0 GFADRO C[N@@H+]1CC[C@@H](CNC(=O)c2c(Cl)ccc(I)c2F)C1 ZINC000906358111 663941475 /nfs/dbraw/zinc/94/14/75/663941475.db2.gz DHWCSGKSDCJRFQ-QMMMGPOBSA-N 1 0 396.631 2.765 20 0 GFADRO O=C(c1cccn2ncc(Br)c12)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000906457849 663949786 /nfs/dbraw/zinc/94/97/86/663949786.db2.gz BEEFPUMCQHBXJM-ZDUSSCGKSA-N 1 0 377.286 2.797 20 0 GFADRO CO[C@H](C(=O)N(C)[C@H]1CC[N@H+](C)C[C@@H]1C)c1ccc(Br)s1 ZINC000906790084 663971222 /nfs/dbraw/zinc/97/12/22/663971222.db2.gz HXLMOYRPENIMRR-MJVIPROJSA-N 1 0 375.332 2.997 20 0 GFADRO O=S(=O)(NC[C@H]1CC[N@@H+](C2CC2)C1)c1c[nH]c2cc(Br)ccc21 ZINC000906835444 663974851 /nfs/dbraw/zinc/97/48/51/663974851.db2.gz YSTKQIUMYWKPMX-LLVKDONJSA-N 1 0 398.326 2.693 20 0 GFADRO C[NH+]1CCC([C@@H]2CCN(C(=O)c3cccn4ncc(Br)c34)C2)CC1 ZINC000907128781 664005228 /nfs/dbraw/zinc/00/52/28/664005228.db2.gz LJTUWPUVYSWXLW-CQSZACIVSA-N 1 0 391.313 2.901 20 0 GFADRO C[N@H+](CCC(=O)N[C@H]1CCc2ncc(Br)n2C1)C1CCCCC1 ZINC000907279174 664018501 /nfs/dbraw/zinc/01/85/01/664018501.db2.gz RAIFEHDXUXFMHY-ZDUSSCGKSA-N 1 0 383.334 2.731 20 0 GFADRO O=S(=O)(Cc1ccc(Cl)c(F)c1)NC1CC[NH+](C2CCOCC2)CC1 ZINC000907329453 664023790 /nfs/dbraw/zinc/02/37/90/664023790.db2.gz VDAYZMDFOAYPLV-UHFFFAOYSA-N 1 0 390.908 2.542 20 0 GFADRO Cc1ccc(C[N@H+]2CC[C@H](CN(C)S(=O)(=O)c3c(C)n[nH]c3C)C2)s1 ZINC000907346472 664026206 /nfs/dbraw/zinc/02/62/06/664026206.db2.gz NHMABUQWENXEOU-OAHLLOKOSA-N 1 0 382.555 2.539 20 0 GFADRO CN(CC[N@H+](C)C1CC1)C(=O)c1ccc(Cn2cc(Br)cn2)s1 ZINC000907446710 664035402 /nfs/dbraw/zinc/03/54/02/664035402.db2.gz BPLUMOXBHLTINN-UHFFFAOYSA-N 1 0 397.342 2.922 20 0 GFADRO O=C(NC[C@H]1CCCC[N@@H+]1C1CC1)c1cc(Br)cn(C2CC2)c1=O ZINC000907762234 664059880 /nfs/dbraw/zinc/05/98/80/664059880.db2.gz IZCOLONMCWSGLV-OAHLLOKOSA-N 1 0 394.313 2.692 20 0 GFADRO O=C(c1cc(Br)ccc1C1CC1)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000908201410 664091583 /nfs/dbraw/zinc/09/15/83/664091583.db2.gz LTHMVAVGTHOBFK-CABCVRRESA-N 1 0 379.298 2.608 20 0 GFADRO COC(=O)c1nc(C(=O)NC[C@H](c2ccc(SC)cc2)[NH+](C)C)cs1 ZINC000908458774 664108360 /nfs/dbraw/zinc/10/83/60/664108360.db2.gz WURGMTQQWCAFJO-CQSZACIVSA-N 1 0 379.507 2.684 20 0 GFADRO CC(C)[NH2+]C1(CO)CCN(C(=O)[C@H]2CCc3cc(Br)ccc32)CC1 ZINC000908608892 664117291 /nfs/dbraw/zinc/11/72/91/664117291.db2.gz NZHGSNUMUDMIHW-KRWDZBQOSA-N 1 0 395.341 2.830 20 0 GFADRO Cc1cc(C[NH+](C)C)ccc1NC(=O)c1nc2ncc(Br)cn2n1 ZINC000909614107 664165267 /nfs/dbraw/zinc/16/52/67/664165267.db2.gz OSULEIRTJFKOAI-UHFFFAOYSA-N 1 0 389.257 2.509 20 0 GFADRO C[C@H](NC(=O)C(=O)N1CC[C@@H](CC[NH3+])C1)c1cc(F)c(Cl)cc1Cl ZINC000910963720 664231985 /nfs/dbraw/zinc/23/19/85/664231985.db2.gz URKAVHUZZLDATR-VHSXEESVSA-N 1 0 376.259 2.507 20 0 GFADRO CC[C@H](NC(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@@H]([NH3+])C1)c1ccc(Cl)s1 ZINC000911032202 664233571 /nfs/dbraw/zinc/23/35/71/664233571.db2.gz CSIMHOPJHIZCBN-GUBZILKMSA-N 1 0 397.850 2.707 20 0 GFADRO C[C@@H](CNC(=O)C(=O)NCC[C@@H]1C[NH2+]C[C@H]1C)c1c(Cl)cccc1Cl ZINC000911186322 664238036 /nfs/dbraw/zinc/23/80/36/664238036.db2.gz GCTPJKXUPUYXSS-FRRDWIJNSA-N 1 0 386.323 2.575 20 0 GFADRO O=C(NCC1CC[NH2+]CC1)c1c(Cl)ccc(I)c1F ZINC000911671714 664252463 /nfs/dbraw/zinc/25/24/63/664252463.db2.gz ALHHTWJAIJTILA-UHFFFAOYSA-N 1 0 396.631 2.813 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C[C@@H]1c2cccc(Br)c2NC1=O ZINC000911682328 664252829 /nfs/dbraw/zinc/25/28/29/664252829.db2.gz AQKNFDDGJUVOKU-SUHUHFCYSA-N 1 0 380.286 2.603 20 0 GFADRO CC(C)c1ncc(Br)c(C(=O)Nc2cccc(OCC[NH3+])c2)n1 ZINC000911760430 664255421 /nfs/dbraw/zinc/25/54/21/664255421.db2.gz BBUXJGJLRUMWAI-UHFFFAOYSA-N 1 0 379.258 2.952 20 0 GFADRO C[NH2+]C1CCN(C(=O)c2c(Cl)ccc(I)c2F)CC1 ZINC000911787867 664256688 /nfs/dbraw/zinc/25/66/88/664256688.db2.gz XKODVCBZHNHLJU-UHFFFAOYSA-N 1 0 396.631 2.908 20 0 GFADRO C[C@@H]1CN(C(=O)c2cnn(Cc3ccccc3)c2Br)CC[C@@H]1[NH3+] ZINC000911824533 664257462 /nfs/dbraw/zinc/25/74/62/664257462.db2.gz OBSDKNGQVZGSSK-DOMZBBRYSA-N 1 0 377.286 2.503 20 0 GFADRO [NH3+]CCCOC1CCN(C(=O)c2nccc3c(Br)cccc32)CC1 ZINC000911874945 664260248 /nfs/dbraw/zinc/26/02/48/664260248.db2.gz FXIAIXCKEZOXMK-UHFFFAOYSA-N 1 0 392.297 2.967 20 0 GFADRO N[C@H](C(=O)Nc1nc2c(s1)CCC2)c1ccccc1I ZINC000912121818 664271006 /nfs/dbraw/zinc/27/10/06/664271006.db2.gz JEBCHXPCAMOSLD-LBPRGKRZSA-N 1 0 399.257 2.875 20 0 GFADRO O=C(C[C@]1(O)CCC[NH2+]C1)Nc1ccnn1Cc1c(Cl)cccc1Cl ZINC000912154443 664271974 /nfs/dbraw/zinc/27/19/74/664271974.db2.gz AMYGDQQWSPOBST-QGZVFWFLSA-N 1 0 383.279 2.681 20 0 GFADRO CC(C)[NH+]1CCN(CCC(=O)NCC(=O)c2c(Cl)cccc2Cl)CC1 ZINC000912240075 664276974 /nfs/dbraw/zinc/27/69/74/664276974.db2.gz CHGQKMGQMGOOPY-UHFFFAOYSA-N 1 0 386.323 2.708 20 0 GFADRO O[C@@H]1CC[N@@H+](C2CCN(c3ccc(-c4nnc(Br)o4)cc3)CC2)C1 ZINC000912281572 664279436 /nfs/dbraw/zinc/27/94/36/664279436.db2.gz TZRIPELBDGAAHO-OAHLLOKOSA-N 1 0 393.285 2.535 20 0 GFADRO CC(C)C[NH2+]C1(CO)CCN(C(=O)c2cc(F)c(Cl)c(N)c2Cl)CC1 ZINC000912585652 664293928 /nfs/dbraw/zinc/29/39/28/664293928.db2.gz CPGUGZGRKYUMOO-UHFFFAOYSA-N 1 0 392.302 2.927 20 0 GFADRO CC(C)C[NH2+]C1(CO)CCN(C(=O)CCc2cccc(Br)c2)CC1 ZINC000912594233 664294396 /nfs/dbraw/zinc/29/43/96/664294396.db2.gz ASDVZPKDCIDUHH-UHFFFAOYSA-N 1 0 397.357 2.981 20 0 GFADRO O=C(NCC1CC[NH+](CC2CC2)CC1)[C@@H](O)c1cccc(Br)c1 ZINC000912732147 664299817 /nfs/dbraw/zinc/29/98/17/664299817.db2.gz SIQZUHDYZFAZQP-KRWDZBQOSA-N 1 0 381.314 2.721 20 0 GFADRO C[C@H](C[NH+](C)C)[C@H]1CCCCN1C(=O)c1c(Br)nc2n1CCC2 ZINC000912807059 664303073 /nfs/dbraw/zinc/30/30/73/664303073.db2.gz XXBHQLQWZXLYSV-CHWSQXEVSA-N 1 0 383.334 2.784 20 0 GFADRO O=C(c1cc(Br)cnc1OCC1CC1)N1CCC([NH+]2CCC2)CC1 ZINC000912872097 664307027 /nfs/dbraw/zinc/30/70/27/664307027.db2.gz NYWOMMZZWHFDMP-UHFFFAOYSA-N 1 0 394.313 2.943 20 0 GFADRO COc1cc(C(=O)N2CCC([NH+]3CCC3)CC2)cc(OC)c1Br ZINC000912883826 664307334 /nfs/dbraw/zinc/30/73/34/664307334.db2.gz WBOAMTKGVRXFJE-UHFFFAOYSA-N 1 0 383.286 2.777 20 0 GFADRO O=C(c1nc(Br)ccc1Br)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000912909282 664309371 /nfs/dbraw/zinc/30/93/71/664309371.db2.gz FKFKWEQYWIDZOT-SECBINFHSA-N 1 0 389.091 2.527 20 0 GFADRO CCC[N@@H+]1CCC[C@@H](C(=O)NCc2snc(OC)c2Br)C1 ZINC000912948572 664313928 /nfs/dbraw/zinc/31/39/28/664313928.db2.gz OXQVVTRQGNFWQH-SNVBAGLBSA-N 1 0 376.320 2.652 20 0 GFADRO C[NH+]1C[C@@]2(C)CN(C(=O)c3cn(C(C)(C)C)nc3Br)C[C@]2(C)C1 ZINC000913282085 664331310 /nfs/dbraw/zinc/33/13/10/664331310.db2.gz XPCOMFQEEDCWFL-IRXDYDNUSA-N 1 0 383.334 2.814 20 0 GFADRO C[NH+](C)C1(C)CCN(C(=O)c2cc(Br)cc3[nH]c(=O)[nH]c32)CC1 ZINC000913390853 664334647 /nfs/dbraw/zinc/33/46/47/664334647.db2.gz ZQFAOFQAEHWBPW-UHFFFAOYSA-N 1 0 381.274 2.587 20 0 GFADRO C[NH+]1CCC(CNC(=O)C[C@H](O)C(Cl)(Cl)Cl)(c2ccccc2)CC1 ZINC000913492309 664341288 /nfs/dbraw/zinc/34/12/88/664341288.db2.gz JBUYTGWDLNTUOJ-AWEZNQCLSA-N 1 0 393.742 2.887 20 0 GFADRO C[NH+](C)CC1(O)CCN(C(=O)c2cnc(-c3cccc(Cl)c3)s2)CC1 ZINC000913676461 664348909 /nfs/dbraw/zinc/34/89/09/664348909.db2.gz YICICZNVKZKTHH-UHFFFAOYSA-N 1 0 379.913 2.992 20 0 GFADRO C[C@@H](C(=O)N1CCC(O)(C[NH+](C)C)CC1)c1ccc(Br)s1 ZINC000913679562 664349342 /nfs/dbraw/zinc/34/93/42/664349342.db2.gz HHVBOOMJFLGLAR-LLVKDONJSA-N 1 0 375.332 2.529 20 0 GFADRO Cc1ccc(CNC(=O)CCN2CC[NH+](C(C)C)CC2)cc1Br ZINC000913795639 664358462 /nfs/dbraw/zinc/35/84/62/664358462.db2.gz DNGJFEKRPPXHCW-UHFFFAOYSA-N 1 0 382.346 2.790 20 0 GFADRO C[C@H](NS(=O)(=O)C[C@@]12CC[N@H+](C1)CCC2)c1ccccc1Br ZINC000913849139 664361238 /nfs/dbraw/zinc/36/12/38/664361238.db2.gz BEEVISDDMRUYDN-BBRMVZONSA-N 1 0 387.343 2.915 20 0 GFADRO CC[NH+](CC)CCCNC(=O)N1CCC[C@H]1c1ncc(Br)cn1 ZINC000913852481 664361690 /nfs/dbraw/zinc/36/16/90/664361690.db2.gz SEEVCBXIDIIVPM-AWEZNQCLSA-N 1 0 384.322 2.818 20 0 GFADRO CCC[NH+]1CCC(NS(=O)(=O)Cc2ccsc2Br)CC1 ZINC000913863297 664362205 /nfs/dbraw/zinc/36/22/05/664362205.db2.gz XFENEGGYRYMGBX-UHFFFAOYSA-N 1 0 381.361 2.804 20 0 GFADRO O=C(NCc1coc(-c2cccs2)n1)N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000913971317 664369768 /nfs/dbraw/zinc/36/97/68/664369768.db2.gz CCBSUEVBHWNDKY-UONOGXRCSA-N 1 0 378.523 2.782 20 0 GFADRO O=S(=O)(c1occc1Br)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000914136681 664378983 /nfs/dbraw/zinc/37/89/83/664378983.db2.gz ZKFQMFOPFWWDFH-GFCCVEGCSA-N 1 0 377.304 2.681 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)NC1(c2ncc(Br)cn2)CCC1 ZINC000914149234 664379861 /nfs/dbraw/zinc/37/98/61/664379861.db2.gz FTIJINWKCMPMJC-KGLIPLIRSA-N 1 0 394.317 2.544 20 0 GFADRO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)N1CCC[C@@H]1c1ncc(Br)cn1 ZINC000914161317 664380757 /nfs/dbraw/zinc/38/07/57/664380757.db2.gz WENXJFUHCYQLLX-IUODEOHRSA-N 1 0 394.317 2.570 20 0 GFADRO O=C(N[C@@]1(c2ccc(Br)cc2)C[C@@H](O)C1)C1CC[NH+](C2CC2)CC1 ZINC000914173009 664381859 /nfs/dbraw/zinc/38/18/59/664381859.db2.gz AEZURPDOFMPKRC-IZAXUBKRSA-N 1 0 393.325 2.790 20 0 GFADRO C[C@@H]1C[C@H](N(C)S(=O)(=O)Cc2cccc(F)c2Br)CC[N@@H+]1C ZINC000914179441 664383444 /nfs/dbraw/zinc/38/34/44/664383444.db2.gz LNDXQZIRMVDGKO-DGCLKSJQSA-N 1 0 393.322 2.833 20 0 GFADRO C[N@@H+]1CCC[C@H](NC(=O)N2CCCC[C@H]2c2ncc(Br)cn2)C1 ZINC000914315116 664398040 /nfs/dbraw/zinc/39/80/40/664398040.db2.gz LAKXWYTWKRRLRG-KBPBESRZSA-N 1 0 382.306 2.570 20 0 GFADRO CCC[N@@H+]1CC[C@H](CNC(=O)N2CCC[C@H]2c2ncc(Br)cn2)C1 ZINC000914337930 664400812 /nfs/dbraw/zinc/40/08/12/664400812.db2.gz RKULFCAJCOLUNV-HIFRSBDPSA-N 1 0 396.333 2.818 20 0 GFADRO CO[C@@]1(CNC(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)CCSC1 ZINC000915458856 664431475 /nfs/dbraw/zinc/43/14/75/664431475.db2.gz OJEKQKHKNYLPRE-CRAIPNDOSA-N 1 0 383.583 2.781 20 0 GFADRO COc1ccc(C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)cc1Br ZINC000915620960 664435651 /nfs/dbraw/zinc/43/56/51/664435651.db2.gz GIBLMOWITCMNEK-HNNXBMFYSA-N 1 0 397.313 2.831 20 0 GFADRO CC(=O)N[C@H](CC(=O)N[C@H](C[NH+](C)C)C(C)C)c1ccc(Br)cc1 ZINC000915624212 664436035 /nfs/dbraw/zinc/43/60/35/664436035.db2.gz MBRKKFHPQXDZFZ-IAGOWNOFSA-N 1 0 398.345 2.719 20 0 GFADRO CC[C@@H](CO)[NH2+][C@@H](C)C(=O)Nc1ccc(Br)cc1Br ZINC000915875547 664443434 /nfs/dbraw/zinc/44/34/34/664443434.db2.gz QDCHQYDFPCHBQP-WPRPVWTQSA-N 1 0 394.107 2.899 20 0 GFADRO C[NH+]1CCN(c2cc(CNC(=S)Nc3ccc(Cl)cc3)ccn2)CC1 ZINC000916015753 664447212 /nfs/dbraw/zinc/44/72/12/664447212.db2.gz WQHSZBIBOYHZFJ-UHFFFAOYSA-N 1 0 375.929 2.973 20 0 GFADRO Cc1csc(-c2ccc(S(=O)(=O)N3C[C@H]4CC[N@@H+](C)C[C@H]4C3)cc2)n1 ZINC000916660558 664468289 /nfs/dbraw/zinc/46/82/89/664468289.db2.gz RMNBZPNDHOEMPB-CVEARBPZSA-N 1 0 377.535 2.691 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(S(=O)(=O)c3ccc(Cl)cc3C(F)(F)F)C[C@@H]2C1 ZINC000916666487 664468654 /nfs/dbraw/zinc/46/86/54/664468654.db2.gz OMTGWWKBFXBJHC-MNOVXSKESA-N 1 0 382.835 2.931 20 0 GFADRO COc1cc(C[NH2+]C[C@H](O)c2cccc(Br)c2)ccc1OCCO ZINC000917015457 664475120 /nfs/dbraw/zinc/47/51/20/664475120.db2.gz UBBAQKPTYSSIGD-INIZCTEOSA-N 1 0 396.281 2.652 20 0 GFADRO Cc1c(Br)cccc1CS(=O)(=O)N1CCc2[nH+]ccc(N)c2C1 ZINC000918905499 664506372 /nfs/dbraw/zinc/50/63/72/664506372.db2.gz GBGWJEIRGNZTRK-UHFFFAOYSA-N 1 0 396.310 2.623 20 0 GFADRO Cc1cc(S(=O)(=O)N2CCc3[nH+]ccc(N)c3C2)sc1Br ZINC000918900700 664506394 /nfs/dbraw/zinc/50/63/94/664506394.db2.gz UCVLKVKSZJVUKE-UHFFFAOYSA-N 1 0 388.312 2.543 20 0 GFADRO CCC1([NH+]2CCC2)CCN(S(=O)(=O)c2occc2Br)CC1 ZINC000919924986 664519573 /nfs/dbraw/zinc/51/95/73/664519573.db2.gz ACQRZQYMPGGGQE-UHFFFAOYSA-N 1 0 377.304 2.681 20 0 GFADRO CN1CC[NH+](CC2CCN(C(=O)/C=C\c3ccc(Br)o3)CC2)CC1 ZINC000919937031 664519928 /nfs/dbraw/zinc/51/99/28/664519928.db2.gz QOUAZGNLHFNZEP-HYXAFXHYSA-N 1 0 396.329 2.541 20 0 GFADRO C[NH+]1CCC(NC(=S)N2CCO[C@H](c3ccc(Br)cc3)C2)CC1 ZINC000920312762 664524964 /nfs/dbraw/zinc/52/49/64/664524964.db2.gz OEOZZENTABIIPF-INIZCTEOSA-N 1 0 398.370 2.791 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CNC(=S)NC[C@@H](O)c1ccccc1C(F)(F)F ZINC000920997341 664535268 /nfs/dbraw/zinc/53/52/68/664535268.db2.gz UWUGRJHMNLPTGH-IUODEOHRSA-N 1 0 375.460 2.687 20 0 GFADRO CCCN(CC[NH+](C)C)C(=O)/C=C\c1ccc(I)o1 ZINC000921091440 664536756 /nfs/dbraw/zinc/53/67/56/664536756.db2.gz INORSTLVCHGHPQ-VURMDHGXSA-N 1 0 376.238 2.698 20 0 GFADRO CN(C)Cc1csc(CNC(=O)NCc2ccc(O)c(Br)c2)n1 ZINC000921525370 664552073 /nfs/dbraw/zinc/55/20/73/664552073.db2.gz RDAHXWQYASMYSO-UHFFFAOYSA-N 1 0 399.314 2.672 20 0 GFADRO Cc1nc(C[NH2+]C[C@@]2(N3CCOCC3)CCSC2)sc1Br ZINC000921581751 664555284 /nfs/dbraw/zinc/55/52/84/664555284.db2.gz GTHARMQPKOVQLM-AWEZNQCLSA-N 1 0 392.388 2.512 20 0 GFADRO C[NH+](C)CC1CCC(NC(=O)NCC2(n3cc(Br)cn3)CC2)CC1 ZINC000921588872 664556303 /nfs/dbraw/zinc/55/63/03/664556303.db2.gz VDYOKFXTWHUNKF-UHFFFAOYSA-N 1 0 398.349 2.554 20 0 GFADRO Clc1ccc([C@@H](C[NH2+]Cc2nc(Br)c[nH]2)N2CCOCC2)cc1 ZINC000921618378 664558032 /nfs/dbraw/zinc/55/80/32/664558032.db2.gz IDKCCNAPBUIWEP-CQSZACIVSA-N 1 0 399.720 2.989 20 0 GFADRO CCn1c(C[NH2+]C[C@@H]2CCC[C@H]2O)nc(Br)c1Br ZINC000921791321 664568801 /nfs/dbraw/zinc/56/88/01/664568801.db2.gz BNXLKOJCZBPGHP-DTWKUNHWSA-N 1 0 381.112 2.679 20 0 GFADRO Cc1cccc(C[NH2+]C[C@H]2CCC[C@]23NC(=O)N(C)C3=O)c1Br ZINC000921815362 664570248 /nfs/dbraw/zinc/57/02/48/664570248.db2.gz ZJZAISJDPQSKMV-DYVFJYSZSA-N 1 0 380.286 2.568 20 0 GFADRO CN(C)C(=O)[C@H]1CC[C@H](C[NH2+]Cc2cc3c(cc(F)cc3Br)[nH]2)O1 ZINC000921966428 664579406 /nfs/dbraw/zinc/57/94/06/664579406.db2.gz GLFFAKXMRKXSMF-MLGOLLRUSA-N 1 0 398.276 2.795 20 0 GFADRO Brc1cccc(N2CC[C@H]([NH2+]Cc3cnc4n3CCOC4)C2)c1 ZINC000922066560 664583776 /nfs/dbraw/zinc/58/37/76/664583776.db2.gz KJSPQGFRZMBWJK-AWEZNQCLSA-N 1 0 377.286 2.544 20 0 GFADRO Cc1ccc(C[C@H](CO)C[NH2+]Cc2cnn(CCF)c2)cc1Br ZINC000922162571 664588432 /nfs/dbraw/zinc/58/84/32/664588432.db2.gz PJLBYOMYUTXMIW-HNNXBMFYSA-N 1 0 384.293 2.864 20 0 GFADRO Cc1cc(C[NH2+]CC[C@@]2(O)CCOC2)c(C)cc1I ZINC000922217223 664590438 /nfs/dbraw/zinc/59/04/38/664590438.db2.gz IENRJBQGRBMQCL-OAHLLOKOSA-N 1 0 375.250 2.539 20 0 GFADRO Cn1nnc2c1CC[C@H]([NH2+]Cc1cc3c(cc(F)cc3Br)[nH]1)C2 ZINC000922223947 664590613 /nfs/dbraw/zinc/59/06/13/664590613.db2.gz DQGSFQWNRVKMIM-JTQLQIEISA-N 1 0 378.249 2.845 20 0 GFADRO CN1C(=O)N=NC1C[C@@H]1CCCC[C@@H]1[NH2+]Cc1ncc(Br)s1 ZINC000922403917 664599854 /nfs/dbraw/zinc/59/98/54/664599854.db2.gz FPPVRECYJHYSPQ-UWVGGRQHSA-N 1 0 386.319 2.631 20 0 GFADRO Cn1nccc1[C@@H]1[C@@H]([NH2+]Cc2cscc2Br)CCC(=O)N1C ZINC000922404977 664599878 /nfs/dbraw/zinc/59/98/78/664599878.db2.gz GKBCVNYPKVEHBL-WFASDCNBSA-N 1 0 383.315 2.696 20 0 GFADRO COc1ccc(Br)c(C[NH2+]C[C@@H]2CCO[C@@H]2c2nnc(C)[nH]2)c1 ZINC000922407117 664600147 /nfs/dbraw/zinc/60/01/47/664600147.db2.gz LQGVXAKEBDYYKD-NHYWBVRUSA-N 1 0 381.274 2.752 20 0 GFADRO CSC1(CNC(=O)N2CC[C@H](Cc3nc(C)cs3)C2)CC[NH+](C)CC1 ZINC000922529325 664605735 /nfs/dbraw/zinc/60/57/35/664605735.db2.gz DALSWUFRGLPPMN-OAHLLOKOSA-N 1 0 382.599 2.853 20 0 GFADRO COc1cc(C[NH2+][C@H]2CCCN3CCSC[C@@H]23)cc(Br)c1O ZINC000922525494 664605807 /nfs/dbraw/zinc/60/58/07/664605807.db2.gz RITWGSDLYFHSMC-KBPBESRZSA-N 1 0 387.343 2.833 20 0 GFADRO COc1ccc(Br)cc1C[NH2+]CC1(O)CCC2(CC1)OCCO2 ZINC000922621912 664608668 /nfs/dbraw/zinc/60/86/68/664608668.db2.gz FYMWXAXTDSDNCU-UHFFFAOYSA-N 1 0 386.286 2.596 20 0 GFADRO Brc1ccc(-c2n[nH]cc2C[NH2+]C[C@@H]2C[C@@H]3COC[C@@H]3O2)s1 ZINC000922727129 664612227 /nfs/dbraw/zinc/61/22/27/664612227.db2.gz ZGNYEJWMGQRSKS-USWWRNFRSA-N 1 0 384.299 2.794 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+]CC[C@@H]1CNC(=O)C1 ZINC000922782601 664614279 /nfs/dbraw/zinc/61/42/79/664614279.db2.gz ZSPVGBHHNYZETL-ZDUSSCGKSA-N 1 0 377.286 2.559 20 0 GFADRO CS(=O)(=O)C[C@@H](O)C[NH2+]Cc1cc(F)ccc1Oc1ccc(Cl)cc1 ZINC000922825874 664615732 /nfs/dbraw/zinc/61/57/32/664615732.db2.gz RDLAPKVCJKCJRB-HNNXBMFYSA-N 1 0 387.860 2.767 20 0 GFADRO O=C(CS[C@H]1CCS(=O)(=O)C1)Nc1ccc(C[NH+]2CCCCC2)cc1 ZINC000922840644 664616177 /nfs/dbraw/zinc/61/61/77/664616177.db2.gz OZRXDGVSLNUWSR-KRWDZBQOSA-N 1 0 382.551 2.531 20 0 GFADRO COc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)S3(=O)=O)c(F)cc1Br ZINC000922850401 664616445 /nfs/dbraw/zinc/61/64/45/664616445.db2.gz NSORCGLBDXGSRG-YOGCLGLASA-N 1 0 392.290 2.795 20 0 GFADRO Cn1ncc(I)c1C[NH2+]CC[C@@H]1OCCc2ccccc21 ZINC000922958301 664619996 /nfs/dbraw/zinc/61/99/96/664619996.db2.gz PYTIYBDPSPOKRR-INIZCTEOSA-N 1 0 397.260 2.818 20 0 GFADRO Cn1nccc1[C@@H](O)C[NH2+]Cc1cc(OC(F)F)ccc1Br ZINC000922969888 664620245 /nfs/dbraw/zinc/62/02/45/664620245.db2.gz HTLXTQCUCCOFML-ZDUSSCGKSA-N 1 0 376.201 2.607 20 0 GFADRO O[C@H]1C[C@@H]([NH2+]CC2=Cc3cc(Br)ccc3OC2)C12CCOCC2 ZINC000923020166 664621306 /nfs/dbraw/zinc/62/13/06/664621306.db2.gz LTXRHGSLBRWMKZ-SJORKVTESA-N 1 0 380.282 2.745 20 0 GFADRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)N2CC(Cc3cccc(Br)c3)C2)C1 ZINC000923117410 664622373 /nfs/dbraw/zinc/62/23/73/664622373.db2.gz CGHXXBUHCDKJHG-KDYLLFBJSA-N 1 0 380.330 2.973 20 0 GFADRO Cc1c(Br)cccc1CNC(=O)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000923116561 664622391 /nfs/dbraw/zinc/62/23/91/664622391.db2.gz JLUDLCCMZYIGKO-INIZCTEOSA-N 1 0 396.329 2.810 20 0 GFADRO C[NH+](C)CCn1ccc(C(=O)Nc2c[nH]c3ccc(Br)cc23)n1 ZINC000923158579 664623293 /nfs/dbraw/zinc/62/32/93/664623293.db2.gz KXLRVACISRIATF-UHFFFAOYSA-N 1 0 376.258 2.941 20 0 GFADRO C[NH2+]C1CCN(C[C@H](O)COc2ccc(Cl)cc2Br)CC1 ZINC000923286070 664627459 /nfs/dbraw/zinc/62/74/59/664627459.db2.gz GVNHTEUUXUFUKT-ZDUSSCGKSA-N 1 0 377.710 2.526 20 0 GFADRO O[C@H](COc1ccc(Cl)cc1Br)CN1CC[C@]2(CCC[NH2+]2)C1 ZINC000923380598 664629321 /nfs/dbraw/zinc/62/93/21/664629321.db2.gz PUPOFFYCSDHVNR-XJKSGUPXSA-N 1 0 389.721 2.670 20 0 GFADRO Clc1nc(CN2CC[NH2+]CCN(Cc3csc(Cl)n3)CC2)cs1 ZINC000923394121 664629489 /nfs/dbraw/zinc/62/94/89/664629489.db2.gz FCTIZPKXSCHWQA-UHFFFAOYSA-N 1 0 392.381 2.814 20 0 GFADRO [NH3+]C[C@@H]1CN(C[C@H](O)COc2ccc(Cl)cc2Cl)C[C@@H]1C(F)(F)F ZINC000923427694 664630233 /nfs/dbraw/zinc/63/02/33/664630233.db2.gz UWZQPJCYYBUZMY-USWWRNFRSA-N 1 0 387.229 2.802 20 0 GFADRO C[NH+]1CCC(n2cc(NC(=O)N3CCS[C@@H](C(F)(F)F)C3)cn2)CC1 ZINC000923623274 664634716 /nfs/dbraw/zinc/63/47/16/664634716.db2.gz GZJSYTLGWBPRJA-CYBMUJFWSA-N 1 0 377.436 2.661 20 0 GFADRO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCN(S(=O)(=O)c3cscc3C(F)F)C2)C1 ZINC000923652666 664635144 /nfs/dbraw/zinc/63/51/44/664635144.db2.gz NTJYZJHGMJARMN-DMDPSCGWSA-N 1 0 380.482 2.593 20 0 GFADRO Cc1ccc(Br)c(CS(=O)(=O)N2CC[C@@H](C[NH3+])[C@H](C)C2)c1 ZINC000923698356 664636197 /nfs/dbraw/zinc/63/61/97/664636197.db2.gz CFVSKTIOHLKGFR-OLZOCXBDSA-N 1 0 375.332 2.504 20 0 GFADRO C[C@H]1CN(S(=O)(=O)c2ccc(C(F)(F)C(F)(F)F)cc2)CC[C@@H]1C[NH3+] ZINC000923699812 664636335 /nfs/dbraw/zinc/63/63/35/664636335.db2.gz LSIFOGPLMJPJGM-WDEREUQCSA-N 1 0 386.386 2.946 20 0 GFADRO C[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2Br)CC[C@H]1C[NH3+] ZINC000923701938 664636460 /nfs/dbraw/zinc/63/64/60/664636460.db2.gz JDVJHVJOYATGLZ-ZJUUUORDSA-N 1 0 381.723 2.708 20 0 GFADRO CCCOc1ccc(Br)cc1S(=O)(=O)NC[C@@H]1CC[C@H]([NH3+])C1 ZINC000923740741 664637395 /nfs/dbraw/zinc/63/73/95/664637395.db2.gz ULGCRNWXPZQVNC-YPMHNXCESA-N 1 0 391.331 2.644 20 0 GFADRO COC(=O)[C@@H](OC(=O)COC1CC[NH+](C)CC1)c1cc(Cl)cc(Cl)c1 ZINC000923790533 664637949 /nfs/dbraw/zinc/63/79/49/664637949.db2.gz YBBNLQMBWFACJZ-INIZCTEOSA-N 1 0 390.263 2.862 20 0 GFADRO CCC1([NH+]2CCC2)CCN(C(=O)c2sccc2S(=O)(=O)C(F)F)CC1 ZINC000924383665 664654754 /nfs/dbraw/zinc/65/47/54/664654754.db2.gz ISJVGECICYRENO-UHFFFAOYSA-N 1 0 392.493 2.835 20 0 GFADRO CS(=O)(=O)N1CCC([NH2+][C@H](c2ccc(Cl)cc2)c2ccccn2)CC1 ZINC000924626348 664659126 /nfs/dbraw/zinc/65/91/26/664659126.db2.gz NWUCBVJOWRPSSD-GOSISDBHSA-N 1 0 379.913 2.838 20 0 GFADRO O=C1N[C@@H](c2ccc(Br)c(Cl)c2)C(=O)N1[C@H]1CC[N@@H+](C2CC2)C1 ZINC000924887075 664663638 /nfs/dbraw/zinc/66/36/38/664663638.db2.gz QSACIOSMWWTZCN-FZMZJTMJSA-N 1 0 398.688 2.932 20 0 GFADRO C[C@H]([NH2+][C@@H](C)C1(Br)CC1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000924925680 664664051 /nfs/dbraw/zinc/66/40/51/664664051.db2.gz VIVZBJUADXWXHT-RYUDHWBXSA-N 1 0 375.332 2.904 20 0 GFADRO CCN(CC)S(=O)(=O)c1ccc(CC[NH2+][C@H](C)c2cc(OC)no2)s1 ZINC000924948065 664664309 /nfs/dbraw/zinc/66/43/09/664664309.db2.gz UKVPPNIMPSAFIA-GFCCVEGCSA-N 1 0 387.527 2.669 20 0 GFADRO O=C(Nc1cc2c(cc1Cl)OCCO2)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000925144571 664667283 /nfs/dbraw/zinc/66/72/83/664667283.db2.gz UVVBVEWIBPUIJN-TZMCWYRMSA-N 1 0 383.901 2.813 20 0 GFADRO CC(C)(CO)[C@H](NC(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12)c1cccs1 ZINC000925175347 664668024 /nfs/dbraw/zinc/66/80/24/664668024.db2.gz VHBJCOMVFYSVDW-IJEWVQPXSA-N 1 0 383.583 2.687 20 0 GFADRO C[C@H](CCS(C)(=O)=O)[NH2+][C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CC(C)(C)C1 ZINC000925276568 664669602 /nfs/dbraw/zinc/66/96/02/664669602.db2.gz OTRCZSJEBXQELO-RBSFLKMASA-N 1 0 376.563 2.871 20 0 GFADRO CC[N@@H+]1CC[C@@H](N2C(=O)CN([C@@H](C)c3cccc(Br)c3)C2=O)C1 ZINC000925315653 664670563 /nfs/dbraw/zinc/67/05/63/664670563.db2.gz CVZAGTSMZUFJKN-SWLSCSKDSA-N 1 0 380.286 2.869 20 0 GFADRO CN1C(=O)N(CC[N@@H+]2CCCOCC2)C(=O)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000925338277 664670676 /nfs/dbraw/zinc/67/06/76/664670676.db2.gz BRIMVUKAIIEFIE-HNNXBMFYSA-N 1 0 386.279 2.651 20 0 GFADRO CC1(C)CC2(CC([NH2+]CCNS(=O)(=O)c3ccc(Cl)s3)C2)CO1 ZINC000925602854 664673360 /nfs/dbraw/zinc/67/33/60/664673360.db2.gz XOIYFTLEWHGHFR-UHFFFAOYSA-N 1 0 378.947 2.617 20 0 GFADRO CCN(CC)S(=O)(=O)c1ccc(CN[C@H](c2ccccc2)[C@@H](C)[NH3+])s1 ZINC000925588395 664673414 /nfs/dbraw/zinc/67/34/14/664673414.db2.gz WNWLINOBSSNBRC-KDOFPFPSSA-N 1 0 381.567 2.957 20 0 GFADRO Brc1ccc([C@@H](Cc2ccccn2)N[C@@H]2C[NH2+]CCOC2)cc1 ZINC000925649361 664673762 /nfs/dbraw/zinc/67/37/62/664673762.db2.gz JEQOENUXZINUFF-QZTJIDSGSA-N 1 0 376.298 2.706 20 0 GFADRO CC(C)[C@H]([NH2+]CC[C@@H]1CNCCS1(=O)=O)c1ccc(C(F)(F)F)cc1 ZINC000925791388 664674862 /nfs/dbraw/zinc/67/48/62/664674862.db2.gz GEMBIVVCSRKHKY-CVEARBPZSA-N 1 0 378.460 2.769 20 0 GFADRO CSc1ccc(Cl)cc1NC(=O)NC[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925984411 664678658 /nfs/dbraw/zinc/67/86/58/664678658.db2.gz UDZBOIQBHFBUGT-LBPRGKRZSA-N 1 0 383.901 2.869 20 0 GFADRO O=C(Nc1ccc(Br)c(F)c1)N[C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000926046743 664679947 /nfs/dbraw/zinc/67/99/47/664679947.db2.gz OIICRTQXYMBAJA-LBPRGKRZSA-N 1 0 386.265 2.868 20 0 GFADRO C[C@@H]1CN(C(=O)Nc2ccc(F)cc2I)CC[C@@H]1C[NH3+] ZINC000926056431 664680126 /nfs/dbraw/zinc/68/01/26/664680126.db2.gz YQZDFHPGRXTHKN-NXEZZACHSA-N 1 0 391.228 2.879 20 0 GFADRO O=C(Nc1cc(F)ccc1Br)N[C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000926061472 664680298 /nfs/dbraw/zinc/68/02/98/664680298.db2.gz OMAIYCCPAAJFIA-GFCCVEGCSA-N 1 0 386.265 2.868 20 0 GFADRO COc1cc(NC(=O)N2CC[C@@H](C[NH3+])[C@H](C)C2)cc(OC)c1Br ZINC000926084914 664681277 /nfs/dbraw/zinc/68/12/77/664681277.db2.gz ONSBSAQZKJVQGL-MNOVXSKESA-N 1 0 386.290 2.915 20 0 GFADRO COC(=O)c1cc(NC(=O)N2CC[C@@H](C[NH3+])[C@@H](C)C2)ccc1Br ZINC000926085544 664681282 /nfs/dbraw/zinc/68/12/82/664681282.db2.gz WJQUZVWUAATINS-QWRGUYRKSA-N 1 0 384.274 2.684 20 0 GFADRO C[NH2+]C[C@@H]1CCCCN1C(=O)Nc1cccc(C(=O)OC)c1Br ZINC000926105122 664681828 /nfs/dbraw/zinc/68/18/28/664681828.db2.gz XDYKPKQVKVCAHV-NSHDSACASA-N 1 0 384.274 2.842 20 0 GFADRO COC(=O)c1cccc(NC(=O)N2CC[C@]3(C2)CCCC[NH2+]3)c1Br ZINC000926104917 664681853 /nfs/dbraw/zinc/68/18/53/664681853.db2.gz SFESPMGDETUHTH-KRWDZBQOSA-N 1 0 396.285 2.986 20 0 GFADRO COc1ccc(NC(=O)N2C[C@@H]([NH3+])C(C)(C)C2)c(I)c1 ZINC000926107798 664681959 /nfs/dbraw/zinc/68/19/59/664681959.db2.gz VQNKEYSUKHTDKX-GFCCVEGCSA-N 1 0 389.237 2.501 20 0 GFADRO [NH3+][C@H]1CN(C(=O)Nc2ncc(C3CCOCC3)s2)CC[C@@H]1C(F)(F)F ZINC000926134304 664682570 /nfs/dbraw/zinc/68/25/70/664682570.db2.gz XDZNWDGCKBJOGH-QWRGUYRKSA-N 1 0 378.420 2.781 20 0 GFADRO Cc1cc(Br)cn2cc(CC[NH2+][C@@H](C)C[C@@H]3CCC(=O)N3)nc12 ZINC000926149480 664683120 /nfs/dbraw/zinc/68/31/20/664683120.db2.gz BOHDJLIGHBJJTC-JSGCOSHPSA-N 1 0 379.302 2.595 20 0 GFADRO [NH3+]CC[C@H](NC(=O)N1CCC[C@H](c2nc3c(s2)CCC3)C1)C(F)(F)F ZINC000926171409 664683789 /nfs/dbraw/zinc/68/37/89/664683789.db2.gz VKIBGPPCLPDMAH-GWCFXTLKSA-N 1 0 376.448 2.801 20 0 GFADRO Cc1ccc(Br)c(C(=O)N[C@@H]2C[C@]3(C[N@@H+](C)[C@@H]3C(C)C)C[C@H]2O)c1 ZINC000926171820 664683792 /nfs/dbraw/zinc/68/37/92/664683792.db2.gz WYLNZWRNQJFZHQ-YWTNHNAXSA-N 1 0 395.341 2.967 20 0 GFADRO [NH3+]CC[C@@H](NC(=O)N1CCc2cc(F)c(Br)cc2C1)C(F)(F)F ZINC000926170561 664683801 /nfs/dbraw/zinc/68/38/01/664683801.db2.gz QOYULRHYSBSZRP-GFCCVEGCSA-N 1 0 398.198 2.936 20 0 GFADRO Cc1c(I)ccc(NC(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)c1C ZINC000926201048 664684593 /nfs/dbraw/zinc/68/45/93/664684593.db2.gz AWMAOMRATRZJIT-TXEJJXNPSA-N 1 0 385.249 2.591 20 0 GFADRO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NC(=O)c3c(Cl)cncc3Cl)C2)[C@H]1C(C)C ZINC000926241057 664685127 /nfs/dbraw/zinc/68/51/27/664685127.db2.gz LODKPGSOOKVYGR-SZXPJGKVSA-N 1 0 386.323 2.988 20 0 GFADRO OC[C@@H](C[NH2+][C@H]1CCOC12CCOCC2)Cc1ccccc1Br ZINC000926283141 664686225 /nfs/dbraw/zinc/68/62/25/664686225.db2.gz FXDNEWUGLQQRCY-PBHICJAKSA-N 1 0 384.314 2.528 20 0 GFADRO CC[N@H+](C)C[C@H]1CCN(C(=O)NCc2cc(Br)cc(OC)c2)C1 ZINC000926284788 664686372 /nfs/dbraw/zinc/68/63/72/664686372.db2.gz GSHRZTKLWOAPPD-CYBMUJFWSA-N 1 0 384.318 2.941 20 0 GFADRO O=C1NCC2(CCOCC2)[C@H]1[NH2+]CC1(c2ccc(Br)s2)CCC1 ZINC000926399451 664689471 /nfs/dbraw/zinc/68/94/71/664689471.db2.gz CBVMJUMYKIVHPI-AWEZNQCLSA-N 1 0 399.354 2.817 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCC(=O)N(C2CC2)[C@H]1c1cncn1C)C1(Br)CC1 ZINC000926533082 664691589 /nfs/dbraw/zinc/69/15/89/664691589.db2.gz XZVTYECZZZICLM-NORZTCDRSA-N 1 0 381.318 2.520 20 0 GFADRO Cc1ccc(C[C@H](CO)C[NH2+][C@@H]2C[C@H](C)n3ncnc32)cc1Br ZINC000926540068 664691761 /nfs/dbraw/zinc/69/17/61/664691761.db2.gz XHTLYULQMLKHMX-DUVNUKRYSA-N 1 0 379.302 2.796 20 0 GFADRO CNS(=O)(=O)c1cccc([C@H](C)[NH2+]C[C@H]2CCC[C@@H](C(F)(F)F)O2)c1 ZINC000926918323 664699064 /nfs/dbraw/zinc/69/90/64/664699064.db2.gz ZTBYGLFVAYACQD-LNSITVRQSA-N 1 0 380.432 2.745 20 0 GFADRO C[C@@H]([NH2+][C@@H]1CCS[C@H](C)C1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000927030344 664702577 /nfs/dbraw/zinc/70/25/77/664702577.db2.gz HVRFVMUKNYCLDL-BFYDXBDKSA-N 1 0 384.567 2.642 20 0 GFADRO C[C@H]([NH2+][C@H]1CCS[C@H](C)C1)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000927035048 664702767 /nfs/dbraw/zinc/70/27/67/664702767.db2.gz ZRGBYSRZNVCJRL-VYDXJSESSA-N 1 0 384.567 2.642 20 0 GFADRO Cn1nnc2c1C[C@@H]([NH2+][C@@H]1CCCOc3c(Br)cccc31)CC2 ZINC000927152762 664705209 /nfs/dbraw/zinc/70/52/09/664705209.db2.gz VOCVNGVMZLAWFA-SMDDNHRTSA-N 1 0 377.286 2.938 20 0 GFADRO CN(Cc1ccccc1Br)C(=O)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000927643727 664713359 /nfs/dbraw/zinc/71/33/59/664713359.db2.gz AABQNSVDQSVLNN-INIZCTEOSA-N 1 0 396.329 2.844 20 0 GFADRO CN(C)c1cc[nH+]c(CNC(=O)c2cn(C(C)(C)C)nc2Br)c1 ZINC000927703086 664714278 /nfs/dbraw/zinc/71/42/78/664714278.db2.gz QKERYENYGSMVGF-UHFFFAOYSA-N 1 0 380.290 2.792 20 0 GFADRO Cc1c(Cl)cc(NC(=O)C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)cc1Cl ZINC000927848751 664716802 /nfs/dbraw/zinc/71/68/02/664716802.db2.gz XDFYRDCAJQMKFZ-LDYMZIIASA-N 1 0 384.185 2.588 20 0 GFADRO Cc1c(C(=O)N[C@H]2CC[N@H+](C)[C@H]2C)cnn1-c1cccc(Br)c1 ZINC000928436749 664732369 /nfs/dbraw/zinc/73/23/69/664732369.db2.gz ACAWQFDNHOHZAO-LRDDRELGSA-N 1 0 377.286 2.766 20 0 GFADRO C[N@@H+]1CC[C@@H]1CNC(=O)Cc1csc(-c2sccc2Br)n1 ZINC000928570630 664735392 /nfs/dbraw/zinc/73/53/92/664735392.db2.gz FLOJBVPYZDGTCN-SNVBAGLBSA-N 1 0 386.340 2.997 20 0 GFADRO CC[NH+](CC)CCCNC(=O)C[C@@H]1C(=O)Nc2ccc(Br)cc21 ZINC000929218389 664748435 /nfs/dbraw/zinc/74/84/35/664748435.db2.gz IQMQLZNUTIANLU-AWEZNQCLSA-N 1 0 382.302 2.723 20 0 GFADRO C[C@@](O)(C[NH2+]C[C@@H](c1cccs1)N1CCOCC1)C(F)(F)C(F)(F)F ZINC000929530828 664753817 /nfs/dbraw/zinc/75/38/17/664753817.db2.gz OJBWPMUVLQJPKJ-WCQYABFASA-N 1 0 388.402 2.660 20 0 GFADRO CC[C@H](CO)[NH+]1CCN(CCCCOc2ccc(Br)cc2)CC1 ZINC000929730588 664756743 /nfs/dbraw/zinc/75/67/43/664756743.db2.gz CRTKRUPIONRCIC-QGZVFWFLSA-N 1 0 385.346 2.997 20 0 GFADRO O=C(Nc1ccc(Br)cc1)C1CC[NH+](CCO[C@H]2CCOC2)CC1 ZINC000929926246 664760006 /nfs/dbraw/zinc/76/00/06/664760006.db2.gz IGNLCCPDOBUKFM-KRWDZBQOSA-N 1 0 397.313 2.905 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)c1cc(Br)cn2ncnc12)c1ccsc1 ZINC000929999821 664761072 /nfs/dbraw/zinc/76/10/72/664761072.db2.gz MOHDXWSNERDNSP-CYBMUJFWSA-N 1 0 394.298 2.586 20 0 GFADRO CC(C)[C@H](CC(F)(F)F)[NH2+]C[C@@H](O)C1(S(=O)(=O)NC(C)(C)C)CCC1 ZINC000930247960 664765111 /nfs/dbraw/zinc/76/51/11/664765111.db2.gz BFUWKQUVWJBSPT-QWHCGFSZSA-N 1 0 388.496 2.555 20 0 GFADRO OC[C@H]([NH2+]CCO[C@H]1CCOC1)c1ccc(Br)cc1C(F)(F)F ZINC000930302727 664766467 /nfs/dbraw/zinc/76/64/67/664766467.db2.gz QHIUDHOKHYSETC-FZMZJTMJSA-N 1 0 398.219 2.896 20 0 GFADRO Cn1[nH]c([C@H]2CCC[N@@H+]2CCCCOc2ccc(Br)cc2)nc1=N ZINC000930316818 664766935 /nfs/dbraw/zinc/76/69/35/664766935.db2.gz OWZFPZWSVJWFHI-OAHLLOKOSA-N 1 0 394.317 2.986 20 0 GFADRO Cn1[nH]c([C@@H]2CCC[N@@H+]2CCCCOc2ccc(Br)cc2)nc1=N ZINC000930316815 664766956 /nfs/dbraw/zinc/76/69/56/664766956.db2.gz OWZFPZWSVJWFHI-HNNXBMFYSA-N 1 0 394.317 2.986 20 0 GFADRO O[C@H](CCC1(O)CCC1)C[NH+]1CCN(c2cccc(Br)c2)CC1 ZINC000930376162 664768867 /nfs/dbraw/zinc/76/88/67/664768867.db2.gz LXFNQTWIVXWNIW-QGZVFWFLSA-N 1 0 383.330 2.627 20 0 GFADRO Cc1nc(Br)ccc1NC(=O)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000930688852 664776271 /nfs/dbraw/zinc/77/62/71/664776271.db2.gz AXFOILZWZPOMGS-ZDUSSCGKSA-N 1 0 383.290 2.527 20 0 GFADRO COC(=O)c1cc(NC(=O)N2C[C@@H]3C[N@H+](C)C[C@]3(C)C2)ccc1Br ZINC000930701107 664776656 /nfs/dbraw/zinc/77/66/56/664776656.db2.gz LBXSNXOIGWPPJD-APPDUMDISA-N 1 0 396.285 2.651 20 0 GFADRO COCCOc1ccc(Br)cc1NC(=O)N1CC[C@@H]2C[N@H+](C)C[C@H]21 ZINC000930752404 664777537 /nfs/dbraw/zinc/77/75/37/664777537.db2.gz UDRBWKUKQQYRMK-IUODEOHRSA-N 1 0 398.301 2.642 20 0 GFADRO COC(=O)c1ccc(Br)c(CN2CCC[C@H](n3ccnn3)C2)c1 ZINC000930760685 664777663 /nfs/dbraw/zinc/77/76/63/664777663.db2.gz VVPSRELJDGMASH-AWEZNQCLSA-N 1 0 379.258 2.664 20 0 GFADRO Cc1ccc(I)cc1NC(=O)N1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000930897312 664780417 /nfs/dbraw/zinc/78/04/17/664780417.db2.gz PWIUDEKOSSOBIF-SMDDNHRTSA-N 1 0 385.249 2.767 20 0 GFADRO Cc1nccc(NC(=O)N2CCCC3(CC[NH+](C)CC3)C2)c1Br ZINC000931016748 664783003 /nfs/dbraw/zinc/78/30/03/664783003.db2.gz GSLWDFXEYCXKKC-UHFFFAOYSA-N 1 0 381.318 2.914 20 0 GFADRO C[C@H]1[C@@H]([NH+](C)C)CCN1CC(=O)Nc1c(F)cc(F)cc1Br ZINC000931047408 664784095 /nfs/dbraw/zinc/78/40/95/664784095.db2.gz YGFZPWWWDYSBRG-ZANVPECISA-N 1 0 376.245 2.690 20 0 GFADRO C[NH+](C)CCn1cc(NC(=O)c2cc(Br)cnc2C2CC2)cn1 ZINC000931345999 664792359 /nfs/dbraw/zinc/79/23/59/664792359.db2.gz CXOWRVGSAJVEAK-UHFFFAOYSA-N 1 0 378.274 2.732 20 0 GFADRO C[N@@H+]1C[C@@H]2CCN(C(=O)Nc3ccc4nccnc4c3Br)[C@@H]2C1 ZINC000931390401 664793477 /nfs/dbraw/zinc/79/34/77/664793477.db2.gz VCDLXLOBRHENFG-GXFFZTMASA-N 1 0 376.258 2.560 20 0 GFADRO COC(=O)c1cc(NC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2C)c(C)cc1Br ZINC000931408201 664794279 /nfs/dbraw/zinc/79/42/79/664794279.db2.gz ZCBADKODUCAADO-ZWNOBZJWSA-N 1 0 384.274 2.758 20 0 GFADRO O=C(NCC[NH+]1CCC(O)CC1)Nc1cccc(Cl)c1OCC(F)F ZINC000931441292 664795117 /nfs/dbraw/zinc/79/51/17/664795117.db2.gz QNNQBOCLPHQUQE-UHFFFAOYSA-N 1 0 377.819 2.562 20 0 GFADRO O=c1cc(C[NH+]2CCC(c3ncco3)CC2)nc2ccc(Br)cn12 ZINC000931447832 664795261 /nfs/dbraw/zinc/79/52/61/664795261.db2.gz VRVVXFAXNUBVFA-UHFFFAOYSA-N 1 0 389.253 2.825 20 0 GFADRO C[C@@H](C(=O)Nc1ccccc1Br)N1CC[NH+](CCCCCO)CC1 ZINC000931500545 664796370 /nfs/dbraw/zinc/79/63/70/664796370.db2.gz ONUSYYGDQYSGRQ-HNNXBMFYSA-N 1 0 398.345 2.556 20 0 GFADRO COc1cccc([C@H]2CN(Cc3ccc(Br)nc3N)CC[NH2+]2)c1 ZINC000931546753 664797994 /nfs/dbraw/zinc/79/79/94/664797994.db2.gz IZIZUUIPKRFFHT-OAHLLOKOSA-N 1 0 377.286 2.581 20 0 GFADRO Cc1nn(C)c(NC(=O)N[C@H](CC[NH+](C)C)c2cccnc2)c1Br ZINC000931577662 664799424 /nfs/dbraw/zinc/79/94/24/664799424.db2.gz VUQUGQLDMXIVSA-CYBMUJFWSA-N 1 0 395.305 2.701 20 0 GFADRO O=C(Nc1ncc(C2CCOCC2)s1)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000931630883 664801012 /nfs/dbraw/zinc/80/10/12/664801012.db2.gz ZRKXGACLMPZTJD-KBPBESRZSA-N 1 0 382.555 2.738 20 0 GFADRO O=C(c1cc(Br)cn2ncnc12)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000931769549 664804659 /nfs/dbraw/zinc/80/46/59/664804659.db2.gz XYRJYABYMLAAPV-CQSZACIVSA-N 1 0 392.301 2.582 20 0 GFADRO Cn1c(Cl)cnc1-c1csc(NC(=O)N2C[C@H]3C[N@H+](C)C[C@@]3(C)C2)n1 ZINC000931894899 664806932 /nfs/dbraw/zinc/80/69/32/664806932.db2.gz NYTYFNARCUDXJW-HWPZZCPQSA-N 1 0 380.905 2.612 20 0 GFADRO CN(CC[NH+]1CCCC1)C(=O)c1cc(Br)cnc1Br ZINC000931896879 664807030 /nfs/dbraw/zinc/80/70/30/664807030.db2.gz HGJBMDWACRUBGG-UHFFFAOYSA-N 1 0 391.107 2.774 20 0 GFADRO CN(CC1CC[NH+](C)CC1)C(=O)c1cc2ccc(Br)cc2c(=O)o1 ZINC000931961908 664807970 /nfs/dbraw/zinc/80/79/70/664807970.db2.gz MADTYMLDSHGPAU-UHFFFAOYSA-N 1 0 393.281 2.969 20 0 GFADRO CCNC(=O)c1cc(NC(=O)N[C@H]2CCC[N@@H+]3CCSC[C@@H]23)c(C)s1 ZINC000932187233 664812514 /nfs/dbraw/zinc/81/25/14/664812514.db2.gz JGLVCGJVGHIWLY-JSGCOSHPSA-N 1 0 382.555 2.508 20 0 GFADRO CCc1ccc(Br)c(NC(=O)N2CCN(C)CC[N@H+](C)CC2)c1 ZINC000932242295 664815759 /nfs/dbraw/zinc/81/57/59/664815759.db2.gz KVEAASUMDUULAA-UHFFFAOYSA-N 1 0 383.334 2.723 20 0 GFADRO C[C@@H](C(=O)N1CCC([NH+](C)C)CC1)c1ccc(I)cc1 ZINC000932357693 664820322 /nfs/dbraw/zinc/82/03/22/664820322.db2.gz FJGRPCKMNBQFKP-GFCCVEGCSA-N 1 0 386.277 2.947 20 0 GFADRO C[NH+](C)CCOC1CCN(C(=O)c2cnc(CCC(F)(F)F)s2)CC1 ZINC000932678864 664831701 /nfs/dbraw/zinc/83/17/01/664831701.db2.gz NURONHNUVNUWDJ-UHFFFAOYSA-N 1 0 379.448 2.821 20 0 GFADRO Cc1c(Br)ccc(F)c1C(=O)NCCCN1CCC[N@@H+](C)CC1 ZINC000932725922 664833881 /nfs/dbraw/zinc/83/38/81/664833881.db2.gz GPYDVSCTBWEFNQ-UHFFFAOYSA-N 1 0 386.309 2.654 20 0 GFADRO O=C1NCCC2(CC[NH+](C[C@H](O)COc3c(Cl)cccc3Cl)CC2)O1 ZINC000932767316 664836042 /nfs/dbraw/zinc/83/60/42/664836042.db2.gz PNOCQXJQRKYJRT-LBPRGKRZSA-N 1 0 389.279 2.698 20 0 GFADRO COc1ncc(NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c(C)c1Br ZINC000932954260 664845017 /nfs/dbraw/zinc/84/50/17/664845017.db2.gz JFNQYMYWLLJTIM-YOGCLGLASA-N 1 0 383.290 2.908 20 0 GFADRO Cc1ccc2[nH]c(C(=O)N[C@H](C)[C@@H]3C[N@H+](C)CCN3C)cc2c1Br ZINC000933387446 664861535 /nfs/dbraw/zinc/86/15/35/664861535.db2.gz OJKXNGRQVADJIQ-WBMJQRKESA-N 1 0 393.329 2.603 20 0 GFADRO CNC(=O)c1cccc(C[NH2+][C@](C)(CO)Cc2ccc(Br)cc2)c1 ZINC000933438654 664864300 /nfs/dbraw/zinc/86/43/00/664864300.db2.gz YLUQTSADUOCXPQ-IBGZPJMESA-N 1 0 391.309 2.892 20 0 GFADRO C[C@@H]1CCCN1C(=O)CC[NH2+][C@@](C)(CO)Cc1ccc(Br)cc1 ZINC000933438761 664864303 /nfs/dbraw/zinc/86/43/03/664864303.db2.gz ZRDGMSRZBVIGNA-RDTXWAMCSA-N 1 0 383.330 2.733 20 0 GFADRO C[C@](CO)(Cc1ccc(Cl)cc1)[NH2+]C[C@@H](O)c1cc(Br)no1 ZINC000933445559 664864813 /nfs/dbraw/zinc/86/48/13/664864813.db2.gz RCSHEIKCDRPFGG-IUODEOHRSA-N 1 0 389.677 2.707 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)c2cc(Br)cnc2Br)CC[N@@H+]1C ZINC000933490604 664866581 /nfs/dbraw/zinc/86/65/81/664866581.db2.gz BJWMADBYMNLQGP-PSASIEDQSA-N 1 0 391.107 2.819 20 0 GFADRO Cc1nc(C[N@H+]2C[C@@H](C)[C@H](CS(N)(=O)=O)C2)oc1-c1ccc(Cl)cc1 ZINC000933698921 664873615 /nfs/dbraw/zinc/87/36/15/664873615.db2.gz FYVVPWGNODTJSJ-RISCZKNCSA-N 1 0 383.901 2.660 20 0 GFADRO C[C@H](c1ncc(-c2ccc(Cl)cc2)o1)[N@@H+]1C[C@@H](C)[C@H](CS(N)(=O)=O)C1 ZINC000933701371 664873623 /nfs/dbraw/zinc/87/36/23/664873623.db2.gz CAMGHGOPTMZFMV-BZPMIXESSA-N 1 0 383.901 2.912 20 0 GFADRO C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000933743984 664876558 /nfs/dbraw/zinc/87/65/58/664876558.db2.gz RXTUQCYMFHMRES-SIXWZSSISA-N 1 0 394.357 2.680 20 0 GFADRO Cc1ccc(NC(=O)[C@@H](C)N2C[C@@H]3C[N@H+](C)C[C@]3(C)C2)c(Br)c1 ZINC000933745546 664876756 /nfs/dbraw/zinc/87/67/56/664876756.db2.gz RAWUBCMWXHCWJW-QWQRMKEZSA-N 1 0 380.330 2.968 20 0 GFADRO CC[NH+](CC)C[C@H]1CCN(C(=O)c2cnn3cccc(Br)c23)C1 ZINC000933770594 664877611 /nfs/dbraw/zinc/87/76/11/664877611.db2.gz LXCNZEHWBADUPN-CYBMUJFWSA-N 1 0 379.302 2.901 20 0 GFADRO CN1CCN(Cc2ncc(-c3cccc(Br)c3)o2)CC[N@H+](C)CC1 ZINC000933998074 664886316 /nfs/dbraw/zinc/88/63/16/664886316.db2.gz VPVLVWDOXYHZFG-UHFFFAOYSA-N 1 0 393.329 2.783 20 0 GFADRO Cc1c(Br)cncc1NC(=O)N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000934273674 664897153 /nfs/dbraw/zinc/89/71/53/664897153.db2.gz IBBGHQXDUGIXKB-GXTWGEPZSA-N 1 0 385.331 2.854 20 0 GFADRO CCO[C@@H](CC[NH+](C)C)CNC(=O)c1cc(Br)cnc1C1CC1 ZINC000934385405 664904921 /nfs/dbraw/zinc/90/49/21/664904921.db2.gz KYDDNXVAYGTGOQ-AWEZNQCLSA-N 1 0 384.318 2.808 20 0 GFADRO C[C@H]1C[C@H](NC(=O)c2cc(Br)c3nccnc3c2)C[N@@H+]1C1CC1 ZINC000934397789 664905194 /nfs/dbraw/zinc/90/51/94/664905194.db2.gz QCURBCIBXZEKMA-JQWIXIFHSA-N 1 0 375.270 2.747 20 0 GFADRO Cc1cc(NC(=O)C[NH2+][C@@H]2CCOC23CCOCC3)ccc1Br ZINC000934405528 664905914 /nfs/dbraw/zinc/90/59/14/664905914.db2.gz JAAYOGUFRJURPX-OAHLLOKOSA-N 1 0 383.286 2.624 20 0 GFADRO O[C@@H](C[NH2+][C@@H]1CCOC12CCOCC2)COc1ccc(Cl)cc1Cl ZINC000934410559 664906232 /nfs/dbraw/zinc/90/62/32/664906232.db2.gz RLNAEIBRCDECLP-XJKSGUPXSA-N 1 0 376.280 2.661 20 0 GFADRO OC[C@@H]([NH2+]C[C@@H](O)Cc1ccccc1)c1ccccc1I ZINC000934826895 664924716 /nfs/dbraw/zinc/92/47/16/664924716.db2.gz HMPHNZARXCPIBZ-WMLDXEAASA-N 1 0 397.256 2.518 20 0 GFADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3cc(Br)c4nccnc4c3)CC[C@H]21 ZINC000934889853 664928380 /nfs/dbraw/zinc/92/83/80/664928380.db2.gz KJRQSYCUOMTBBA-MLGOLLRUSA-N 1 0 389.297 2.949 20 0 GFADRO O=C(NCCCC[N@H+]1CCC[C@@H]1CO)c1cnc(CCC(F)(F)F)s1 ZINC000934950988 664931293 /nfs/dbraw/zinc/93/12/93/664931293.db2.gz BTLVQUICLJZXRG-GFCCVEGCSA-N 1 0 379.448 2.605 20 0 GFADRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)c2ncc(Br)cn2)CC1 ZINC000935030839 664934993 /nfs/dbraw/zinc/93/49/93/664934993.db2.gz IPEDYAFUJBHOGE-LBPRGKRZSA-N 1 0 390.285 2.590 20 0 GFADRO C[NH+]1CCC(CCO)(NC(=O)C/C=C\c2ccc(Br)cc2)CC1 ZINC000935270755 664949746 /nfs/dbraw/zinc/94/97/46/664949746.db2.gz ZWQUHEGHZORPCC-IHWYPQMZSA-N 1 0 381.314 2.815 20 0 GFADRO CS[C@@H]1CN(C(=O)c2ccc(NC(C)=O)c(Cl)c2)C[C@H]1[NH+]1CCCC1 ZINC000935367060 664956750 /nfs/dbraw/zinc/95/67/50/664956750.db2.gz JKYOCZFXDIWVHZ-IAGOWNOFSA-N 1 0 381.929 2.950 20 0 GFADRO CS[C@H]1CN(C(=O)c2nc(C)ccc2Br)C[C@H]1[NH+]1CCCC1 ZINC000935368368 664957090 /nfs/dbraw/zinc/95/70/90/664957090.db2.gz QXOWKTQOGXELOQ-KGLIPLIRSA-N 1 0 384.343 2.804 20 0 GFADRO CN(C(=O)COC1CC[NH+](C)CC1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000935477375 664964130 /nfs/dbraw/zinc/96/41/30/664964130.db2.gz KSOJCKBWTYSHTL-SJLPKXTDSA-N 1 0 387.307 2.521 20 0 GFADRO C[NH+](C)CCc1ccccc1NC(=O)C1(n2cc(Br)cn2)CC1 ZINC000935554179 664969747 /nfs/dbraw/zinc/96/97/47/664969747.db2.gz UEFCPPHRMFTCBR-UHFFFAOYSA-N 1 0 377.286 2.878 20 0 GFADRO Cn1c(C(=O)N2CCC[C@H]([NH+](C)C)CC2)cc2cc(Br)cnc21 ZINC000935652823 664978171 /nfs/dbraw/zinc/97/81/71/664978171.db2.gz ZEZWRPVAMBFBAS-AWEZNQCLSA-N 1 0 379.302 2.892 20 0 GFADRO COc1cc(Br)cc(C(=O)N2CCC[C@H]([NH+]3CCOCC3)CC2)c1 ZINC000935811356 664990147 /nfs/dbraw/zinc/99/01/47/664990147.db2.gz CNOUBJSCLTWVJP-INIZCTEOSA-N 1 0 397.313 2.785 20 0 GFADRO CSC1(CNC(=O)c2ccccc2[S@](=O)C(F)(F)F)CC[NH+](C)CC1 ZINC000936041547 665005384 /nfs/dbraw/zinc/00/53/84/665005384.db2.gz CVSBQWSAUYXBDW-VWLOTQADSA-N 1 0 394.484 2.871 20 0 GFADRO CC[C@@H]1[C@@H](C(=O)N[C@H]2CCN(C(=O)c3cscc3Cl)[C@@H]2C)CC[N@@H+]1C ZINC000988332276 665020548 /nfs/dbraw/zinc/02/05/48/665020548.db2.gz GIVNMPYIENSWSZ-GUYJKWIASA-N 1 0 383.945 2.851 20 0 GFADRO C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)c2sccc2Cl)CC[N@@H+]1C ZINC000997012098 665034430 /nfs/dbraw/zinc/03/44/30/665034430.db2.gz JAHOKEFOECBMQX-FPVZYODXSA-N 1 0 381.929 2.603 20 0 GFADRO C[N@@H+]1CC[C@@H](CC(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2csc(Cl)c2)C3)C1 ZINC001002613667 665055498 /nfs/dbraw/zinc/05/54/98/665055498.db2.gz COGORWHFXMKTNG-MYPMTAMASA-N 1 0 381.929 2.605 20 0 GFADRO C[NH+]1CCC(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ccsc2Cl)C3)CC1 ZINC001002618779 665056147 /nfs/dbraw/zinc/05/61/47/665056147.db2.gz FWICJUDWDCSWLM-YUELXQCFSA-N 1 0 381.929 2.605 20 0 GFADRO C[C@@H]1[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ccsc2Cl)C3)CC[N@@H+]1C ZINC001002620684 665056594 /nfs/dbraw/zinc/05/65/94/665056594.db2.gz WALDZSXQOZVRSA-FWZIUSJTSA-N 1 0 381.929 2.603 20 0 GFADRO O=C(c1ccc(I)c(Cl)c1)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000232338204 677404962 /nfs/dbraw/zinc/40/49/62/677404962.db2.gz UBRZLPPZESGLRS-GXFFZTMASA-N 1 0 390.652 2.769 20 0 GFADRO COc1c(Br)cc(Cl)cc1S(=O)(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000382530389 677406736 /nfs/dbraw/zinc/40/67/36/677406736.db2.gz WBBUYSBRLWRPHR-SCZZXKLOSA-N 1 0 397.722 2.517 20 0 GFADRO Cc1cccc(I)c1C(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000120194532 677395905 /nfs/dbraw/zinc/39/59/05/677395905.db2.gz ANKBPFCOQNGSIY-RYUDHWBXSA-N 1 0 384.261 2.955 20 0 GFADRO O=S(=O)(NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)c1cnc(Cl)c(F)c1 ZINC000390803212 677408800 /nfs/dbraw/zinc/40/88/00/677408800.db2.gz TULIQSLZOUMTQV-AWEZNQCLSA-N 1 0 383.876 2.817 20 0 GFADRO Brc1cnc(NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)cn1 ZINC000391139243 677408973 /nfs/dbraw/zinc/40/89/73/677408973.db2.gz OQVVJZPMCPKZND-HNNXBMFYSA-N 1 0 377.286 2.942 20 0 GFADRO CC[NH+](CC)CC1CCN(C(=O)c2cc([N+](=O)[O-])ncc2Br)CC1 ZINC000392286875 677409760 /nfs/dbraw/zinc/40/97/60/677409760.db2.gz BCWZAGITAXXWMX-UHFFFAOYSA-N 1 0 399.289 2.946 20 0 GFADRO COc1ccc([C@@H](C)[NH2+]Cc2cccc(S(N)(=O)=O)c2)cc1Br ZINC000390324238 677673021 /nfs/dbraw/zinc/67/30/21/677673021.db2.gz QZMSMCREXDBITL-LLVKDONJSA-N 1 0 399.310 2.956 20 0 GFADRO O[C@H](C[NH2+][C@@H]1CCN(CC(F)(F)F)C1)COc1ccc(Cl)cc1Cl ZINC000580314246 677674159 /nfs/dbraw/zinc/67/41/59/677674159.db2.gz HZSALTBQBJTRBW-VXGBXAGGSA-N 1 0 387.229 2.959 20 0 GFADRO O=C(N[C@@H]1C[N@@H+](CCCc2ccsc2)C[C@H]1O)[C@@H]1C[C@H]1c1ccsc1 ZINC001077227940 677676081 /nfs/dbraw/zinc/67/60/81/677676081.db2.gz QZKMDOUYOZAZTE-BSDSXHPESA-N 1 0 376.547 2.707 20 0 GFADRO FC(F)(c1ccc2nc(Cl)c(Cl)nc2c1)N1CCN2CC[NH2+]C[C@H]2C1 ZINC001164399494 718834988 /nfs/dbraw/zinc/83/49/88/718834988.db2.gz YBLGVECKZZVVKM-NSHDSACASA-N 1 0 388.249 2.575 20 0 GFADRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(F)(F)c1cc(Cl)nc(Cl)c1 ZINC001164614474 719012337 /nfs/dbraw/zinc/01/23/37/719012337.db2.gz FLNANNKTEBPGFL-INTQDDNPSA-N 1 0 380.222 2.663 20 0 GFADRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@@H]2N1C(F)(F)Sc1ccc(Cl)nc1 ZINC001164618882 719018911 /nfs/dbraw/zinc/01/89/11/719018911.db2.gz ULWOVNBJCBEYPX-DLOVCJGASA-N 1 0 377.844 2.603 20 0 GFADRO [NH3+]C1([C@H]2CN(C(F)(F)c3nc(Cl)cc(N4CCCC4)n3)C[C@@H]2CF)CC1 ZINC001164630403 719116466 /nfs/dbraw/zinc/11/64/66/719116466.db2.gz VZWCSVYVNQVTPS-RYUDHWBXSA-N 1 0 389.853 2.788 20 0 GFADRO COC(=O)c1cc(Cl)nc(C(F)(F)N2C[C@H](CF)[C@H](C3([NH3+])CC3)C2)c1 ZINC001164623977 719119425 /nfs/dbraw/zinc/11/94/25/719119425.db2.gz SSYBLVUOFCBPMH-WDEREUQCSA-N 1 0 377.794 2.580 20 0 GFADRO C[C@@H]1C[N@H+](C)[C@H](C)CN1c1ccc(S(=O)(=O)Nc2cc(F)ccc2F)cn1 ZINC001164633309 719244646 /nfs/dbraw/zinc/24/46/46/719244646.db2.gz KTVKPWIQHGDCGR-CHWSQXEVSA-N 1 0 396.463 2.689 20 0 GFADRO O=C(CC1CC1)N[C@@H]1CN(c2ncccc2C[NH+]2CCCC2)C[C@H]2CCCO[C@@H]21 ZINC001164654614 719326314 /nfs/dbraw/zinc/32/63/14/719326314.db2.gz MAIQIFDDGHMCJL-UZKOGDIHSA-N 1 0 398.551 2.578 20 0 GFADRO COc1cccc(-c2nc3ccccc3c(N3C[C@@H]4OCC[N@H+](C)[C@H]4C3)n2)c1 ZINC001164666285 719460483 /nfs/dbraw/zinc/46/04/83/719460483.db2.gz CTGSJTAFDQXWMR-PMACEKPBSA-N 1 0 376.460 2.825 20 0 GFADRO Cc1nc(-c2ccccn2)nc(-n2nc(CN(C)C(C)C)c3c2C[NH2+]CC3)c1C ZINC001164680582 719645117 /nfs/dbraw/zinc/64/51/17/719645117.db2.gz WVQACCCAPOCOOE-UHFFFAOYSA-N 1 0 391.523 2.827 20 0 GFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cc(Cl)ncc1C(=O)OC)C2 ZINC001164814837 720070060 /nfs/dbraw/zinc/07/00/60/720070060.db2.gz XDAAJRUKWRDRDS-FOIQADDNSA-N 1 0 393.915 2.706 20 0 GFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ccnc(-c3nccs3)n1)C2 ZINC001164813992 720201796 /nfs/dbraw/zinc/20/17/96/720201796.db2.gz RNDSAOZWLMTMBU-OXQOHEQNSA-N 1 0 385.537 2.785 20 0 GFADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2cnc3ccccc3n2)CC1 ZINC001164819243 720295291 /nfs/dbraw/zinc/29/52/91/720295291.db2.gz CYMXFTUUNKOXBQ-UXHICEINSA-N 1 0 379.508 2.541 20 0 GFADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2nnc(Cl)cc2Cl)CC1 ZINC001164819282 720295443 /nfs/dbraw/zinc/29/54/43/720295443.db2.gz DIPMSCFTYRSNKM-GJZGRUSLSA-N 1 0 398.338 2.695 20 0 GFADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2nncc3ccc(F)cc32)CC1 ZINC001164828462 720322330 /nfs/dbraw/zinc/32/23/30/720322330.db2.gz JQBWTBZNANRDPQ-UXHICEINSA-N 1 0 397.498 2.680 20 0 GFADRO CC(C)Cc1cc(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)ncn1 ZINC001164827882 720342435 /nfs/dbraw/zinc/34/24/35/720342435.db2.gz NAAWTBFMJQWUFG-VQTJNVASSA-N 1 0 385.556 2.587 20 0 GFADRO CCSc1cncc(N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164829120 720343901 /nfs/dbraw/zinc/34/39/01/720343901.db2.gz QPPASXKJYQJKFZ-IAGOWNOFSA-N 1 0 389.569 2.500 20 0 GFADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2cc(C3CCC3)ncn2)CC1 ZINC001164828283 720348088 /nfs/dbraw/zinc/34/80/88/720348088.db2.gz OAIPIDPMGWYJAW-VQTJNVASSA-N 1 0 383.540 2.656 20 0 GFADRO CCOC(=O)c1cnc(N2CC[C@@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)cc1OCC ZINC001164731451 720379784 /nfs/dbraw/zinc/37/97/84/720379784.db2.gz ZUYHBKXGSMHNFW-MOPGFXCFSA-N 1 0 396.491 2.905 20 0 GFADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3nccc(N4CCCC4)n3)CC[C@@H]21 ZINC001164841168 720504449 /nfs/dbraw/zinc/50/44/49/720504449.db2.gz XSPULMHVWUQOIJ-UFYCRDLUSA-N 1 0 395.555 2.651 20 0 GFADRO CCOC(=O)c1ccnc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c1 ZINC001164833864 720512120 /nfs/dbraw/zinc/51/21/20/720512120.db2.gz DSCJPHWODADYIK-HSALFYBXSA-N 1 0 397.523 2.833 20 0 GFADRO CC(C)[N@H+]1[C@@H]2CCN(c3ncnc4cnccc43)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164835250 720518725 /nfs/dbraw/zinc/51/87/25/720518725.db2.gz JJPSNTNENHZZJW-ABSDTBQOSA-N 1 0 377.496 2.599 20 0 GFADRO COc1ccccc1-c1ccc(N2Cc3nccn3C[C@H](C[NH+](C)C)C2)nn1 ZINC001164734966 720525136 /nfs/dbraw/zinc/52/51/36/720525136.db2.gz UITPMOKCIBAUPW-INIZCTEOSA-N 1 0 378.480 2.547 20 0 GFADRO CCOC(=O)c1cccc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)n1 ZINC001164838065 720529050 /nfs/dbraw/zinc/52/90/50/720529050.db2.gz NTERZMKTCWFIDC-WSTZPKSXSA-N 1 0 397.523 2.833 20 0 GFADRO CN1CCc2nc(Cl)nc(N([C@@H]3COC4(C3)CC[NH2+]CC4)C(C)(C)C)c2C1 ZINC001164734362 720547599 /nfs/dbraw/zinc/54/75/99/720547599.db2.gz IBJTZJLVPWRLIW-AWEZNQCLSA-N 1 0 393.963 2.634 20 0 GFADRO FC(F)(c1ccnc(Cl)n1)N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001164733473 720548854 /nfs/dbraw/zinc/54/88/54/720548854.db2.gz NSVQCRYAEIPYDO-UHFFFAOYSA-N 1 0 382.846 2.530 20 0 GFADRO F[C@H](Oc1cncc(Cl)n1)N1CCCn2cnc(C[NH2+]C3CCC3)c2C1 ZINC001164841916 720739890 /nfs/dbraw/zinc/73/98/90/720739890.db2.gz ASYLOJQYIWQIMR-KRWDZBQOSA-N 1 0 380.855 2.506 20 0 GFADRO Cc1nc(C2CCCCC2)cc(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)n1 ZINC001164737533 720748826 /nfs/dbraw/zinc/74/88/26/720748826.db2.gz CFANVAIVCBUVEB-RTBURBONSA-N 1 0 394.523 2.965 20 0 GFADRO Cc1cc(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)nc(-c2cccs2)n1 ZINC001164737487 720778682 /nfs/dbraw/zinc/77/86/82/720778682.db2.gz BWDCBRHNEQLBAS-HOTGVXAUSA-N 1 0 394.504 2.645 20 0 GFADRO c1cc2c(ncnc2N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)s1 ZINC001164744933 720809480 /nfs/dbraw/zinc/80/94/80/720809480.db2.gz JVNIJLMSTMNUOV-XYJFISCASA-N 1 0 395.536 2.662 20 0 GFADRO Cc1nc(C(C)C)cc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164744233 720812559 /nfs/dbraw/zinc/81/25/59/720812559.db2.gz IELXGJYVZFLTDW-SVFBPWRDSA-N 1 0 395.555 2.879 20 0 GFADRO c1ncn(C[C@@H]2C[C@H]3CN(c4ccc5cccnc5n4)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164743307 720825729 /nfs/dbraw/zinc/82/57/29/720825729.db2.gz RZTLSSTXEVWGPQ-SLFFLAALSA-N 1 0 389.507 2.601 20 0 GFADRO CC(C)(C)c1cc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)ncn1 ZINC001164746582 720846887 /nfs/dbraw/zinc/84/68/87/720846887.db2.gz OXZMLWMIFCZFNA-CEXWTWQISA-N 1 0 395.555 2.745 20 0 GFADRO COCC[N@@H+]1CCO[C@H]2CN(c3nc(Cl)nc4sc(C)cc43)CC[C@@H]2C1 ZINC001164856533 720847000 /nfs/dbraw/zinc/84/70/00/720847000.db2.gz WTRDHPADTZSHTC-HIFRSBDPSA-N 1 0 396.944 2.827 20 0 GFADRO Cc1cc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc(C2CC2)n1 ZINC001164744010 720851464 /nfs/dbraw/zinc/85/14/64/720851464.db2.gz BFOOYJRGMPKVDN-HSALFYBXSA-N 1 0 393.539 2.633 20 0 GFADRO c1ncn(C[C@@H]2C[C@H]3CN(c4cccc(C5CC5)n4)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164748930 720857674 /nfs/dbraw/zinc/85/76/74/720857674.db2.gz MYHHWRDGDICOJP-IRFCIJBXSA-N 1 0 378.524 2.930 20 0 GFADRO c1cncc(COC[C@H]2C[N@H+](CC3CC3)C[C@]23CCN(c2cccnn2)C3)c1 ZINC001164752878 720868365 /nfs/dbraw/zinc/86/83/65/720868365.db2.gz NGDPQQWDYOGALE-IRLDBZIGSA-N 1 0 379.508 2.627 20 0 GFADRO COCC[N@@H+]1CCO[C@H]2CN(c3ccc(-c4cccc(C)c4)nn3)CC[C@H]2C1 ZINC001164864506 720876499 /nfs/dbraw/zinc/87/64/99/720876499.db2.gz VYWNSYADBSVTRY-FPOVZHCZSA-N 1 0 382.508 2.626 20 0 GFADRO COCC[N@@H+]1CCO[C@@H]2CN(c3cc4nc(Cl)cnc4cc3F)CC[C@@H]2C1 ZINC001164854468 720880462 /nfs/dbraw/zinc/88/04/62/720880462.db2.gz FHOYDNWTYJUGTP-FZKQIMNGSA-N 1 0 394.878 2.596 20 0 GFADRO CCc1nc(Cl)nc(Cl)c1N1CC[C@H]2C[N@H+](CCOC)CCO[C@@H]2C1 ZINC001164853297 720888856 /nfs/dbraw/zinc/88/88/56/720888856.db2.gz BQIBPNSHEVYDBK-GXTWGEPZSA-N 1 0 389.327 2.519 20 0 GFADRO COc1nc(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@H]2C)nc2c1ccn2C ZINC001164856731 721018112 /nfs/dbraw/zinc/01/81/12/721018112.db2.gz BMXRYKJVVGBLRH-CQSZACIVSA-N 1 0 383.500 2.595 20 0 GFADRO Cc1ccc2ncnc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)c2c1 ZINC001164868339 721066233 /nfs/dbraw/zinc/06/62/33/721066233.db2.gz NWHFIFAVRSLGOY-RTBURBONSA-N 1 0 375.476 2.813 20 0 GFADRO CSc1nc(Cl)cc(N2C[C@@H]3C[N@@H+](Cc4cnn(C)c4)CC[C@@H]3C2)n1 ZINC001164770203 721074937 /nfs/dbraw/zinc/07/49/37/721074937.db2.gz PDJJHLLEOYIYEF-KGLIPLIRSA-N 1 0 378.933 2.544 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4cnc5cccc(Cl)c5n4)C[C@H]3C2)cn1 ZINC001164771637 721094013 /nfs/dbraw/zinc/09/40/13/721094013.db2.gz SIULSZUICSVEDS-JKSUJKDBSA-N 1 0 382.899 2.975 20 0 GFADRO Fc1cccc2ncnc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)c12 ZINC001164865581 721097698 /nfs/dbraw/zinc/09/76/98/721097698.db2.gz NDQKLAYGSMGMRG-SJORKVTESA-N 1 0 379.439 2.644 20 0 GFADRO Cc1c[nH]c2nc(Cl)nc(N3C[C@@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@H]4C3)c12 ZINC001164768203 721106021 /nfs/dbraw/zinc/10/60/21/721106021.db2.gz NULXGPFELKSEFV-GJZGRUSLSA-N 1 0 385.903 2.612 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4nccc5cc(Cl)ncc54)C[C@H]3C2)cn1 ZINC001164769921 721106549 /nfs/dbraw/zinc/10/65/49/721106549.db2.gz QFPXOYYJKRFNRM-IAGOWNOFSA-N 1 0 382.899 2.975 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4cnc5c(Cl)cccc5n4)C[C@H]3C2)cn1 ZINC001164772773 721109036 /nfs/dbraw/zinc/10/90/36/721109036.db2.gz WQLPGLCWQPWFKM-JKSUJKDBSA-N 1 0 382.899 2.975 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4cnc5cc(Cl)ccc5n4)C[C@@H]3C2)cn1 ZINC001164772247 721109720 /nfs/dbraw/zinc/10/97/20/721109720.db2.gz USGFLMWXUUACEN-HOTGVXAUSA-N 1 0 382.899 2.975 20 0 GFADRO Clc1nnc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)c2occc21 ZINC001164864034 721114844 /nfs/dbraw/zinc/11/48/44/721114844.db2.gz DNRCPEHOJNCFSD-CABCVRRESA-N 1 0 385.855 2.751 20 0 GFADRO Fc1ccc2nc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)ncc2c1 ZINC001164865349 721118486 /nfs/dbraw/zinc/11/84/86/721118486.db2.gz KICCWTUVHBMSKI-RTBURBONSA-N 1 0 379.439 2.644 20 0 GFADRO CCOc1cc(Cl)nc(N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@H]3C2)c1 ZINC001164772251 721122720 /nfs/dbraw/zinc/12/27/20/721122720.db2.gz UTOVTKCIVCNYGI-HOTGVXAUSA-N 1 0 375.904 2.826 20 0 GFADRO Cc1csc2cnc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)nc12 ZINC001164870241 721130004 /nfs/dbraw/zinc/13/00/04/721130004.db2.gz CAFOZRGSWMRQGP-IRXDYDNUSA-N 1 0 381.505 2.874 20 0 GFADRO Cc1csc2cnc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)nc12 ZINC001164870239 721130627 /nfs/dbraw/zinc/13/06/27/721130627.db2.gz CAFOZRGSWMRQGP-IAGOWNOFSA-N 1 0 381.505 2.874 20 0 GFADRO CSc1nc(Cl)ncc1N1C[C@@H]2C[N@@H+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001164773577 721131597 /nfs/dbraw/zinc/13/15/97/721131597.db2.gz YKDHDLAXBCNWGZ-KGLIPLIRSA-N 1 0 378.933 2.544 20 0 GFADRO CCOc1ccc(Cl)nc1N1C[C@@H]2CC[N@H+](Cc3cnn(C)c3)C[C@@H]2C1 ZINC001164773702 721151179 /nfs/dbraw/zinc/15/11/79/721151179.db2.gz YQOFUMHJNJOGFJ-JKSUJKDBSA-N 1 0 375.904 2.826 20 0 GFADRO CCCN(CCC)c1cncc(N2C[C@@H]3C[N@@H+](Cc4cnn(C)c4)CC[C@@H]3C2)n1 ZINC001164772395 721172518 /nfs/dbraw/zinc/17/25/18/721172518.db2.gz UMWQWWBRFOHYTA-UXHICEINSA-N 1 0 397.571 2.795 20 0 GFADRO CCN1C(C)=N[C@@]2(CC[C@@H]3CN(c4ccc(C[NH+]5CCCC5)cn4)C[C@@H]32)C1=O ZINC001164874744 721232534 /nfs/dbraw/zinc/23/25/34/721232534.db2.gz SYXPEPPMSVQJFD-XQBPLPMBSA-N 1 0 381.524 2.543 20 0 GFADRO C[C@@H]1c2ncc(COCC3CC3)n2CCN1c1cccc(N2CC[NH+](C)CC2)n1 ZINC001164876226 721242023 /nfs/dbraw/zinc/24/20/23/721242023.db2.gz YSCLSNJZRPHXRU-QGZVFWFLSA-N 1 0 396.539 2.538 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4nc(C5CCC5)nc5[nH]ccc54)C[C@H]3C2)cn1 ZINC001164765547 721249798 /nfs/dbraw/zinc/24/97/98/721249798.db2.gz SAIZJXGTTKVUIS-ZWKOTPCHSA-N 1 0 391.523 2.917 20 0 GFADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4ncc(Cl)cc4F)C3)O2)CC1 ZINC001164888513 721385870 /nfs/dbraw/zinc/38/58/70/721385870.db2.gz JTHQXQMIWCUJLO-LPHOPBHVSA-N 1 0 382.911 2.640 20 0 GFADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4ncnc5c(F)cccc54)C3)O2)CC1 ZINC001164886635 721405778 /nfs/dbraw/zinc/40/57/78/721405778.db2.gz KIHOIUOGTBLTEU-HTAPYJJXSA-N 1 0 399.514 2.534 20 0 GFADRO Cc1nc(N2CC[C@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)nc(C)c1Cl ZINC001164891997 721419947 /nfs/dbraw/zinc/41/99/47/721419947.db2.gz XVGOKCWXQAVXAW-PXNSSMCTSA-N 1 0 393.963 2.512 20 0 GFADRO CCN(C)c1cc(C)nc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)n1 ZINC001164900541 721507530 /nfs/dbraw/zinc/50/75/30/721507530.db2.gz SAZUTEGSWFJLCG-MJGOQNOKSA-N 1 0 385.487 2.722 20 0 GFADRO CC1(C)OC(=O)c2c1ccnc2N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164911350 721528615 /nfs/dbraw/zinc/52/86/15/721528615.db2.gz WIPDWHVUIPRQNC-DOTOQJQBSA-N 1 0 397.450 2.968 20 0 GFADRO CC1(C)OC(=O)c2c1ccnc2N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164911353 721528791 /nfs/dbraw/zinc/52/87/91/721528791.db2.gz WIPDWHVUIPRQNC-NVXWUHKLSA-N 1 0 397.450 2.968 20 0 GFADRO C=C(OCC)c1ccc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)nn1 ZINC001164902994 721533983 /nfs/dbraw/zinc/53/39/83/721533983.db2.gz BQGOTYDLTBXMIW-MJGOQNOKSA-N 1 0 384.455 2.965 20 0 GFADRO CCOC(=O)c1cccc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)n1 ZINC001164803815 721545868 /nfs/dbraw/zinc/54/58/68/721545868.db2.gz JIJMGHQNPUDCGM-DYXWJJEUSA-N 1 0 396.491 2.522 20 0 GFADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ccc3cccnc3n2)[C@H]2CCCO[C@@H]12 ZINC001164803644 721550171 /nfs/dbraw/zinc/55/01/71/721550171.db2.gz ILHADTURZPONLB-QKNQBKEWSA-N 1 0 375.476 2.893 20 0 GFADRO CCCNC(=O)c1cccnc1N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164909290 721553255 /nfs/dbraw/zinc/55/32/55/721553255.db2.gz UGYBQFCJQFQFER-HKUYNNGSSA-N 1 0 398.482 2.702 20 0 GFADRO Cc1noc(-c2cccnc2N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)n1 ZINC001164903146 721554448 /nfs/dbraw/zinc/55/44/48/721554448.db2.gz BAJVOMPDIZJPLU-AEFFLSMTSA-N 1 0 395.438 2.921 20 0 GFADRO Cc1cc2ncnc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@@H]43)c2[nH]1 ZINC001164809882 721562703 /nfs/dbraw/zinc/56/27/03/721562703.db2.gz XTHIFNATEFIDEE-CMKODMSKSA-N 1 0 378.480 2.530 20 0 GFADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc3ccc(Cl)nc3[nH]2)[C@@H]2CCCO[C@@H]12 ZINC001164806270 721571487 /nfs/dbraw/zinc/57/14/87/721571487.db2.gz PQKARDQEEGYJCR-JFIYKMOQSA-N 1 0 398.898 2.875 20 0 GFADRO COc1ccc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)nn1 ZINC001164907954 721585655 /nfs/dbraw/zinc/58/56/55/721585655.db2.gz XECPZTMAWOGLJI-GOSISDBHSA-N 1 0 375.423 2.618 20 0 GFADRO CN(C)c1cncc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)n1 ZINC001164903582 721586431 /nfs/dbraw/zinc/58/64/31/721586431.db2.gz ALBCEDGKSPDODM-LJQANCHMSA-N 1 0 388.466 2.675 20 0 GFADRO COCc1ccnc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)n1 ZINC001164903703 721701540 /nfs/dbraw/zinc/70/15/40/721701540.db2.gz BSSGRDIXWSIZMO-LJQANCHMSA-N 1 0 389.450 2.756 20 0 GFADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2ccc(-c3ccccc3F)nn2)CC1 ZINC001165012654 721747064 /nfs/dbraw/zinc/74/70/64/721747064.db2.gz LNXUTIODTYETHJ-UHFFFAOYSA-N 1 0 397.498 2.806 20 0 GFADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc4c(cn3)NC(=O)C4)C[C@@H]21 ZINC001165028111 721803810 /nfs/dbraw/zinc/80/38/10/721803810.db2.gz YILCIALGHDWHBT-ZAAXVRCTSA-N 1 0 377.492 2.708 20 0 GFADRO COc1cc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)nc(OC)n1 ZINC001165025084 721806007 /nfs/dbraw/zinc/80/60/07/721806007.db2.gz NMQPVDQANDPEKR-RYQLBKOJSA-N 1 0 383.496 2.626 20 0 GFADRO C[NH+](C)Cc1ccnc(N2CCO[C@@H]3[C@H](COCc4nccs4)CC[C@@H]32)c1 ZINC001164915932 721811126 /nfs/dbraw/zinc/81/11/26/721811126.db2.gz DTLXLDHDBFVDMV-ABSDTBQOSA-N 1 0 388.537 2.800 20 0 GFADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc4c(n3)OCC(=O)N4)C[C@H]21 ZINC001165028277 721811580 /nfs/dbraw/zinc/81/15/80/721811580.db2.gz XDHAMOFQUCOWME-KVSKMBFKSA-N 1 0 393.491 2.544 20 0 GFADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc4c(n3)OCC(=O)N4)C[C@H]21 ZINC001165028279 721811652 /nfs/dbraw/zinc/81/16/52/721811652.db2.gz XDHAMOFQUCOWME-SZVBFZGTSA-N 1 0 393.491 2.544 20 0 GFADRO Cc1cnc2n1CCN(C)C21CCN(c2ccc(C[N@H+](C)C3CC3)cn2)CC1 ZINC001164918786 721819862 /nfs/dbraw/zinc/81/98/62/721819862.db2.gz HTCBGICENAOJHS-UHFFFAOYSA-N 1 0 380.540 2.622 20 0 GFADRO Cc1ccc(C(N)=O)c(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)n1 ZINC001165024716 721822736 /nfs/dbraw/zinc/82/27/36/721822736.db2.gz KZGCVYTZFLLWGI-FFZOFVMBSA-N 1 0 379.508 2.621 20 0 GFADRO Cc1nc(CN2CCOC[C@@]3(CN(c4ccc(C)c(C)[nH+]4)CCO3)C2)cs1 ZINC001164924836 721826433 /nfs/dbraw/zinc/82/64/33/721826433.db2.gz PFXHLAFLMPYTMO-FQEVSTJZSA-N 1 0 388.537 2.571 20 0 GFADRO C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2C(F)(F)c1cnc(Cl)nc1Cl ZINC001164921982 721849206 /nfs/dbraw/zinc/84/92/06/721849206.db2.gz PDSVKBJDNICIKD-VXGBXAGGSA-N 1 0 380.270 2.543 20 0 GFADRO COCc1cc(N2CC[C@H]3[C@@H]2CC[N@@H+]3CCN(C)C)nc(-c2ccccc2)n1 ZINC001164930736 721850913 /nfs/dbraw/zinc/85/09/13/721850913.db2.gz SKSPBIOXFJQSIJ-PMACEKPBSA-N 1 0 381.524 2.505 20 0 GFADRO C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2c1nccnc1C1SCCCS1 ZINC001164926075 721857022 /nfs/dbraw/zinc/85/70/22/721857022.db2.gz HBDDIRFIJXXLOF-CABCVRRESA-N 1 0 379.599 2.560 20 0 GFADRO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2c1nccnc1C1SCCCS1 ZINC001164926078 721857111 /nfs/dbraw/zinc/85/71/11/721857111.db2.gz HBDDIRFIJXXLOF-LSDHHAIUSA-N 1 0 379.599 2.560 20 0 GFADRO COc1ccc2nc(N3CC[C@H]4[C@H]3CCN4CC[NH+](C)C)c(Cl)nc2c1 ZINC001164926232 721859376 /nfs/dbraw/zinc/85/93/76/721859376.db2.gz IAOAEEVALFODOL-DLBZAZTESA-N 1 0 375.904 2.506 20 0 GFADRO COc1ccc2nc(Cl)cc(N3CC[C@H]4[C@@H]3CC[N@@H+]4CCN(C)C)c2n1 ZINC001164925324 721865898 /nfs/dbraw/zinc/86/58/98/721865898.db2.gz NVUZBISHOUNZLJ-GJZGRUSLSA-N 1 0 375.904 2.506 20 0 GFADRO C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2C(F)(F)c1cc2cc[nH]c2c(Cl)n1 ZINC001164922683 721874805 /nfs/dbraw/zinc/87/48/05/721874805.db2.gz HQYNZOJVWDTLSS-ZIAGYGMSSA-N 1 0 383.874 2.976 20 0 GFADRO CC(C)n1ccc2c1nc(Cl)nc2N1CC[C@@H]2[C@@H]1CC[N@@H+]2CCN(C)C ZINC001164921495 721876136 /nfs/dbraw/zinc/87/61/36/721876136.db2.gz DBVMFFWVUVECFZ-CVEARBPZSA-N 1 0 376.936 2.880 20 0 GFADRO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2C(Cl)(Cl)Oc1ccc(Cl)nc1 ZINC001164932929 721889887 /nfs/dbraw/zinc/88/98/87/721889887.db2.gz KIICJOODXJUYLA-UONOGXRCSA-N 1 0 393.746 2.913 20 0 GFADRO c1cn(Cc2ccccc2)c2ncnc(N3CC[NH+](C[C@@H]4CCCO4)CC3)c12 ZINC001165038191 721911467 /nfs/dbraw/zinc/91/14/67/721911467.db2.gz LBROSCFYCGUMRL-IBGZPJMESA-N 1 0 377.492 2.781 20 0 GFADRO CCOC(=O)/C=C/c1ccc(N2CC[NH+](CCOc3ccccc3)CC2)nc1 ZINC001165044326 721957538 /nfs/dbraw/zinc/95/75/38/721957538.db2.gz HYAMYAZOQVFWRH-PKNBQFBNSA-N 1 0 381.476 2.859 20 0 GFADRO CCN(CC)S(=O)(=O)c1ccc(N2CCCC[C@@H]2CC[NH+]2CCCC2)nc1 ZINC001165049572 721975394 /nfs/dbraw/zinc/97/53/94/721975394.db2.gz QIGOANWNXWZJQN-GOSISDBHSA-N 1 0 394.585 2.957 20 0 GFADRO C[NH+](C)Cc1ccnc(N2CCCn3cnc(COc4cccnc4)c3C2)c1 ZINC001164949668 721998196 /nfs/dbraw/zinc/99/81/96/721998196.db2.gz DTXUGKTZVQNNFE-UHFFFAOYSA-N 1 0 378.480 2.724 20 0 GFADRO COc1ccc(-c2cc(N3CC[NH+](CCc4ccccn4)CC3)ncn2)cc1 ZINC001165054905 722018036 /nfs/dbraw/zinc/01/80/36/722018036.db2.gz JAAMGMNJZUNJMN-UHFFFAOYSA-N 1 0 375.476 2.912 20 0 GFADRO O=C(NCc1cccnc1)[C@H]1C[C@@]12CCN(c1ncccc1C[NH+]1CCCC1)C2 ZINC001164955937 722035142 /nfs/dbraw/zinc/03/51/42/722035142.db2.gz ACNLHLLFNPPUNI-NFBKMPQASA-N 1 0 391.519 2.605 20 0 GFADRO Fc1cc(Cl)nnc1N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164963823 722056329 /nfs/dbraw/zinc/05/63/29/722056329.db2.gz MOGDAPIUXAOMCV-UHFFFAOYSA-N 1 0 391.878 2.783 20 0 GFADRO Clc1nc2[nH]ccc2c(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164983382 722099414 /nfs/dbraw/zinc/09/94/14/722099414.db2.gz PQXLREYFFMJEFR-RDJZCZTQSA-N 1 0 398.898 2.734 20 0 GFADRO Fc1ccc(Cl)nc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164986076 722106503 /nfs/dbraw/zinc/10/65/03/722106503.db2.gz XWVZAZCJCSRGBB-RDJZCZTQSA-N 1 0 376.863 2.996 20 0 GFADRO c1cncc(C[N@@H+]2CCO[C@H]3CN(c4ccc5cccnc5n4)CC[C@H]3C2)c1 ZINC001164970877 722112621 /nfs/dbraw/zinc/11/26/21/722112621.db2.gz AHKASJIEWWFQMJ-PMACEKPBSA-N 1 0 375.476 2.752 20 0 GFADRO Fc1cccc2ncnc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)c12 ZINC001164971917 722123333 /nfs/dbraw/zinc/12/33/33/722123333.db2.gz DNFVZZGTFNPKBX-YLJYHZDGSA-N 1 0 393.466 2.891 20 0 GFADRO CC(C)(C)c1cc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)ncn1 ZINC001164985525 722140815 /nfs/dbraw/zinc/14/08/15/722140815.db2.gz ZSPBOZSTCYJGOL-RBUKOAKNSA-N 1 0 381.524 2.896 20 0 GFADRO CCOC(=O)Cc1ccc(N2CCC[C@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)nn1 ZINC001164994884 722205416 /nfs/dbraw/zinc/20/54/16/722205416.db2.gz JEBYVZUQYBHIGV-QFIPXVFZSA-N 1 0 398.482 2.966 20 0 GFADRO C[NH+](C)CCOCc1ncn2c1CN([C@@H](F)c1ccnc(Cl)c1)CCC2 ZINC001165002587 722253268 /nfs/dbraw/zinc/25/32/68/722253268.db2.gz QZEZESQXUHYZSP-GOSISDBHSA-N 1 0 381.883 2.884 20 0 GFADRO Cc1ccc2nc(N3CCCn4cnc(COCC[NH+](C)C)c4C3)ncc2c1 ZINC001165002352 722253969 /nfs/dbraw/zinc/25/39/69/722253969.db2.gz NWPMGYYTLZYUDD-UHFFFAOYSA-N 1 0 380.496 2.623 20 0 GFADRO C[C@@H]1C[C@H](CCNc2ncc(S(N)(=O)=O)s2)C[N@@H+]1Cc1ccccc1 ZINC000511596279 531793912 /nfs/dbraw/zinc/79/39/12/531793912.db2.gz IRKUUQJYUIKTLD-HIFRSBDPSA-N 1 0 380.539 2.503 20 0 GFADRO C[C@H]1OCC[C@]1(O)C[NH2+]Cc1cc(Br)cc(Br)c1 ZINC000394617381 563529926 /nfs/dbraw/zinc/52/99/26/563529926.db2.gz JIHIRJNDLMGPGN-RNCFNFMXSA-N 1 0 379.092 2.841 20 0 GFADRO Cc1c([C@H]2[C@H](C[NH2+]Cc3csc(C(C)(C)C)n3)CC(=O)N2C)cnn1C ZINC000328614289 206233849 /nfs/dbraw/zinc/23/38/49/206233849.db2.gz AFPVVTRJBYNRQC-SUMWQHHRSA-N 1 0 375.542 2.792 20 0 GFADRO CCCn1nc(C)c(C[NH2+]C[C@@H]2CC(=O)N(C)[C@H]2c2c(C)nn(C)c2C)c1C ZINC000328635179 206236327 /nfs/dbraw/zinc/23/63/27/206236327.db2.gz UQHALDKCZTXYEX-LAUBAEHRSA-N 1 0 386.544 2.569 20 0 GFADRO CCn1ccnc1CN(C(=O)[C@H]1COc2ccccc21)[C@H]1CC12CC[NH2+]CC2 ZINC000328642110 206237968 /nfs/dbraw/zinc/23/79/68/206237968.db2.gz QVTRJOJZGQITIH-HKUYNNGSSA-N 1 0 380.492 2.550 20 0 GFADRO C[C@H](CCO)C1(C[NH2+]C2CCN(S(=O)(=O)c3cccs3)CC2)CCC1 ZINC000359895356 206267101 /nfs/dbraw/zinc/26/71/01/206267101.db2.gz HQXDZLZNPPJUPS-OAHLLOKOSA-N 1 0 386.583 2.680 20 0 GFADRO Cn1nc(C(F)(F)F)c(CN2CCC[N@@H+](C3CCOCC3)CC2)c1Cl ZINC000359902744 206269100 /nfs/dbraw/zinc/26/91/00/206269100.db2.gz TYVJDPKZRKUXHZ-UHFFFAOYSA-N 1 0 380.842 2.779 20 0 GFADRO Cc1cc(C)n(C[C@@H]2CCCCN2C(=O)c2ccnc(OCC[NH+](C)C)c2)n1 ZINC000359906054 206269438 /nfs/dbraw/zinc/26/94/38/206269438.db2.gz YBZMNDNVDNWQPJ-IBGZPJMESA-N 1 0 385.512 2.530 20 0 GFADRO C[N@H+](CCCNS(=O)(=O)c1ccc2c(c1)CCCC(=O)N2)C1CCCCC1 ZINC000021888102 207240332 /nfs/dbraw/zinc/24/03/32/207240332.db2.gz ODZFGJOHXHDOCT-UHFFFAOYSA-N 1 0 393.553 2.894 20 0 GFADRO CC(C)[NH+]1CCN(c2ccc(C(=O)N3CCN(c4ccccn4)CC3)cc2)CC1 ZINC000109476189 535203911 /nfs/dbraw/zinc/20/39/11/535203911.db2.gz ZXSSXYQLKLNDQV-UHFFFAOYSA-N 1 0 393.535 2.574 20 0 GFADRO C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1NC(=O)c1cc(F)ccc1I ZINC000286000294 563545265 /nfs/dbraw/zinc/54/52/65/563545265.db2.gz ISZDSISTAGEMBG-VYUIOLGVSA-N 1 0 376.213 2.547 20 0 GFADRO CNc1cc(I)ccc1C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000411385602 563617433 /nfs/dbraw/zinc/61/74/33/563617433.db2.gz PDQHFTSNADVTPR-LLVKDONJSA-N 1 0 399.276 2.547 20 0 GFADRO COc1ccc([C@H](C)[NH2+]CC(=O)NC(=O)NC2CCCC2)cc1Br ZINC000007879383 551101940 /nfs/dbraw/zinc/10/19/40/551101940.db2.gz DWLARJKOVZJPBO-NSHDSACASA-N 1 0 398.301 2.877 20 0 GFADRO CC[NH+]1CCC(NC(=O)CSc2nnc(NC3CCCCC3)s2)CC1 ZINC000011292159 551106789 /nfs/dbraw/zinc/10/67/89/551106789.db2.gz YWLKVYPUUNFNHU-UHFFFAOYSA-N 1 0 383.587 2.975 20 0 GFADRO Nc1cc(N)[nH+]c(SCC(=O)Nc2ccc(OC(F)F)c(Cl)c2)n1 ZINC000011391608 551106796 /nfs/dbraw/zinc/10/67/96/551106796.db2.gz QTZOGKUJNNYBLE-UHFFFAOYSA-N 1 0 375.788 2.627 20 0 GFADRO C[NH+]1CCN(c2ccc(NC(=O)c3cc(Br)ccc3F)cn2)CC1 ZINC000022509404 551117936 /nfs/dbraw/zinc/11/79/36/551117936.db2.gz HOAWFDGEMCEJAP-UHFFFAOYSA-N 1 0 393.260 2.987 20 0 GFADRO CC[NH+]1CCC(N(C)S(=O)(=O)c2cc(Br)ccc2C)CC1 ZINC000040432776 551134440 /nfs/dbraw/zinc/13/44/40/551134440.db2.gz GKGOEPCJOYREEG-UHFFFAOYSA-N 1 0 375.332 2.862 20 0 GFADRO CC[NH+](CC)[C@H](C)CNC(=O)Cc1csc(NC(=O)c2cccs2)n1 ZINC000041914655 551136784 /nfs/dbraw/zinc/13/67/84/551136784.db2.gz GHBPXACUVAIXKC-GFCCVEGCSA-N 1 0 380.539 2.846 20 0 GFADRO CCOc1ccc(S(=O)(=O)NC[C@@]2(C)CCC[NH2+]C2)cc1Br ZINC000440838818 563751712 /nfs/dbraw/zinc/75/17/12/563751712.db2.gz WEBMCZIMNPUPBV-HNNXBMFYSA-N 1 0 391.331 2.516 20 0 GFADRO CN1CCC([NH+]2CCC(NC(=O)c3ccc(F)cc3Br)CC2)CC1 ZINC000050801375 551161393 /nfs/dbraw/zinc/16/13/93/551161393.db2.gz KSAMARAAVCWPOT-UHFFFAOYSA-N 1 0 398.320 2.877 20 0 GFADRO C[NH+](C)CCCNC(=O)NCC1(c2cccc(Br)c2)CCOCC1 ZINC000056996341 551179181 /nfs/dbraw/zinc/17/91/81/551179181.db2.gz GSXSTAWGEREGNQ-UHFFFAOYSA-N 1 0 398.345 2.748 20 0 GFADRO CCCC[NH+]1CCC(NS(=O)(=O)c2cc3c(cc2Cl)OCCO3)CC1 ZINC000068902362 551194110 /nfs/dbraw/zinc/19/41/10/551194110.db2.gz LREOWUAGJQPTEH-UHFFFAOYSA-N 1 0 388.917 2.654 20 0 GFADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CSCc2csc(C(C)C)n2)C1 ZINC000101585089 551196854 /nfs/dbraw/zinc/19/68/54/551196854.db2.gz SAQYJPODBGAJLA-INIZCTEOSA-N 1 0 385.599 2.973 20 0 GFADRO C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N(C)CC1CC[NH+](C)CC1 ZINC000103451536 551198129 /nfs/dbraw/zinc/19/81/29/551198129.db2.gz CLXBSFHCQDAEAI-LBPRGKRZSA-N 1 0 386.323 2.912 20 0 GFADRO CC[N@H+](CCNC(=O)[C@H]1CCN(c2cc(Cl)ccc2Cl)C1=O)C1CC1 ZINC000104409433 551198582 /nfs/dbraw/zinc/19/85/82/551198582.db2.gz CKOKGYLJZDVPNP-CQSZACIVSA-N 1 0 384.307 2.947 20 0 GFADRO C[NH+](C)CC(C)(C)CNC(=O)c1cc(=O)c2cc(Br)ccc2[nH]1 ZINC000112627148 551205991 /nfs/dbraw/zinc/20/59/91/551205991.db2.gz AMOYCDBTNDUXIK-UHFFFAOYSA-N 1 0 380.286 2.608 20 0 GFADRO CC(=O)N[C@H](C)C(=O)N(CC[NH+]1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC000112821101 551207250 /nfs/dbraw/zinc/20/72/50/551207250.db2.gz GPDFXUUBATTYCD-CYBMUJFWSA-N 1 0 386.323 2.942 20 0 GFADRO CCC(CC)(CO)[NH2+]Cc1cc(I)c(OC)c(OC)c1 ZINC000116347863 551212974 /nfs/dbraw/zinc/21/29/74/551212974.db2.gz DVLZDBQCQHWFAT-UHFFFAOYSA-N 1 0 393.265 2.949 20 0 GFADRO CCS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC([NH+]3CCCC3)CC2)c1 ZINC000118329099 551214512 /nfs/dbraw/zinc/21/45/12/551214512.db2.gz SIRPWOSXBDYCAN-UHFFFAOYSA-N 1 0 384.929 2.834 20 0 GFADRO C[C@@H]1C[C@@H](N(C)C(=O)c2c(F)cccc2I)CC[N@@H+]1C ZINC000119140673 551214928 /nfs/dbraw/zinc/21/49/28/551214928.db2.gz KYNCAVQMNZZFHN-MNOVXSKESA-N 1 0 390.240 2.985 20 0 GFADRO O=S1(=O)CCC(C[NH2+]Cc2cc(Br)ccc2OC(F)F)CC1 ZINC000120807641 551222022 /nfs/dbraw/zinc/22/20/22/551222022.db2.gz OSKSKQAPFGEOQU-UHFFFAOYSA-N 1 0 398.269 2.965 20 0 GFADRO Cc1cccc(NC(=O)C(=O)N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)c1Br ZINC000120982527 551224325 /nfs/dbraw/zinc/22/43/25/551224325.db2.gz YKHGAROEWGBOGO-GXTWGEPZSA-N 1 0 396.329 2.933 20 0 GFADRO Cc1cccc(NC(=O)C(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)c1Br ZINC000121044156 551225935 /nfs/dbraw/zinc/22/59/35/551225935.db2.gz BJIWAPAGOVWWQA-CQSZACIVSA-N 1 0 396.329 2.933 20 0 GFADRO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)Nc2cccc(C)c2Br)C1 ZINC000121084958 551226764 /nfs/dbraw/zinc/22/67/64/551226764.db2.gz TZFUWTVGHVEZDT-CYBMUJFWSA-N 1 0 382.302 2.639 20 0 GFADRO CC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)Cc2ccc(Br)cc2)C1 ZINC000121099828 551227353 /nfs/dbraw/zinc/22/73/53/551227353.db2.gz LBXDXMKQYLFGAV-AWEZNQCLSA-N 1 0 375.332 2.553 20 0 GFADRO Cc1cccc(NC(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c1Br ZINC000121153320 551228352 /nfs/dbraw/zinc/22/83/52/551228352.db2.gz DJHDRNAVLURDLG-HIFRSBDPSA-N 1 0 394.313 2.639 20 0 GFADRO O=C(NCC[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2)c1ccc(Br)cc1 ZINC000121385759 551233282 /nfs/dbraw/zinc/23/32/82/551233282.db2.gz UVSWHFCKALFZRF-OAGGEKHMSA-N 1 0 379.298 2.726 20 0 GFADRO CCn1c(SCC(=O)NC[C@@H]2CC[N@H+](CC)C2)nnc1-c1cccs1 ZINC000121418454 551234363 /nfs/dbraw/zinc/23/43/63/551234363.db2.gz KWRMPJIHQDTFGC-ZDUSSCGKSA-N 1 0 379.555 2.577 20 0 GFADRO C[NH2+]CCCNC(=O)[C@H](CCSC)NC(=O)c1ccc(Cl)cc1Cl ZINC000121571018 551237259 /nfs/dbraw/zinc/23/72/59/551237259.db2.gz ZWQWVMKFJUVXOV-AWEZNQCLSA-N 1 0 392.352 2.571 20 0 GFADRO CCC[C@H]1CN(CC(=O)N(C)Cc2ccc(Cl)s2)CC[N@@H+]1CCOC ZINC000121633027 551238893 /nfs/dbraw/zinc/23/88/93/551238893.db2.gz SUMFFZVFGULVMY-HNNXBMFYSA-N 1 0 387.977 2.793 20 0 GFADRO Brc1ccc(CNC[C@H]2C[NH2+]CCCO2)cc1Br ZINC000415035406 563757018 /nfs/dbraw/zinc/75/70/18/563757018.db2.gz IVJSBWCMHMDONM-LLVKDONJSA-N 1 0 378.108 2.680 20 0 GFADRO CC[NH+]1CCN([C@@H](C)CNC(=O)c2ccc(Cl)cc2Br)CC1 ZINC000121756463 551241973 /nfs/dbraw/zinc/24/19/73/551241973.db2.gz CDWHOTGGALTNSQ-LBPRGKRZSA-N 1 0 388.737 2.858 20 0 GFADRO C[C@@H]1C[C@@H](N(C)CC(=O)N(C)Cc2ccccc2Br)CC[N@@H+]1C ZINC000123300782 551304958 /nfs/dbraw/zinc/30/49/58/551304958.db2.gz VFAKPWXXJNMKOH-ZBFHGGJFSA-N 1 0 382.346 2.822 20 0 GFADRO COc1ccc(CC[NH2+]C2CCC(C(F)(F)F)CC2)cc1S(N)(=O)=O ZINC000123679062 551308094 /nfs/dbraw/zinc/30/80/94/551308094.db2.gz PRQZLJSICZBVRU-UHFFFAOYSA-N 1 0 380.432 2.596 20 0 GFADRO Cc1ccc(NC(=O)C(=O)NCC[N@H+]2CCC[C@H](C)C2)cc1Br ZINC000123855987 551309377 /nfs/dbraw/zinc/30/93/77/551309377.db2.gz UOPAUIVJDGKEPE-LBPRGKRZSA-N 1 0 382.302 2.544 20 0 GFADRO O=C(c1cnccn1)N1CCC([NH2+]Cc2csc(Br)c2)CC1 ZINC000124647230 551316006 /nfs/dbraw/zinc/31/60/06/551316006.db2.gz SUCYUIPTCARQHU-UHFFFAOYSA-N 1 0 381.299 2.695 20 0 GFADRO C[NH+](C)[C@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2Br)C1 ZINC000127326252 551340501 /nfs/dbraw/zinc/34/05/01/551340501.db2.gz LKIMJVWZRYXODA-ZDUSSCGKSA-N 1 0 395.750 2.958 20 0 GFADRO Cc1ccc(Br)c(S(=O)(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)c1 ZINC000127499025 551341608 /nfs/dbraw/zinc/34/16/08/551341608.db2.gz MCGHMBRPGYAZNU-CYBMUJFWSA-N 1 0 375.332 2.720 20 0 GFADRO C[C@@H]1C[C@H](C)CC[N@H+](CC(=O)NCC(=O)Nc2ccccc2Br)C1 ZINC000127690503 551343777 /nfs/dbraw/zinc/34/37/77/551343777.db2.gz VKTSEDREEWWGFC-ZIAGYGMSSA-N 1 0 396.329 2.872 20 0 GFADRO NC(=O)[C@H]1CCC[N@H+](CCCN[C@H]2CCc3c2cc(Br)cc3F)C1 ZINC000127987936 551345626 /nfs/dbraw/zinc/34/56/26/551345626.db2.gz AZWVRXNFGVOQME-SJCJKPOMSA-N 1 0 398.320 2.753 20 0 GFADRO COc1cc(C[N@H+](C)C[C@@H]2CCCO2)cc(I)c1OC ZINC000128096883 551346415 /nfs/dbraw/zinc/34/64/15/551346415.db2.gz UORDPWRSCFDXDW-LBPRGKRZSA-N 1 0 391.249 2.919 20 0 GFADRO CC[NH+](CC)CCN(CCOC)C(=O)Nc1ccc(Br)c(C)n1 ZINC000128571642 551350671 /nfs/dbraw/zinc/35/06/71/551350671.db2.gz HYHYVXMIZQRDDW-UHFFFAOYSA-N 1 0 387.322 2.975 20 0 GFADRO C[C@@H]([NH2+]C1CCN(S(C)(=O)=O)CC1)c1ccc(F)cc1Br ZINC000129694771 551358874 /nfs/dbraw/zinc/35/88/74/551358874.db2.gz BEFFHZLPHSUZKP-SNVBAGLBSA-N 1 0 379.295 2.663 20 0 GFADRO CC[C@@H]([NH3+])C(=O)N1CCC[C@@H]1c1nc(Cc2ccc(Br)cc2)no1 ZINC000129842716 551360318 /nfs/dbraw/zinc/36/03/18/551360318.db2.gz NSSKVBFSEXFYGO-ZIAGYGMSSA-N 1 0 393.285 2.824 20 0 GFADRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)c1c(F)cccc1I ZINC000129997448 551360766 /nfs/dbraw/zinc/36/07/66/551360766.db2.gz LHWPWXFLVPMHFD-JTQLQIEISA-N 1 0 388.224 2.644 20 0 GFADRO Cc1cc(S(=O)(=O)N(C)CC2CC[NH+](C)CC2)sc1Br ZINC000150163587 551400075 /nfs/dbraw/zinc/40/00/75/551400075.db2.gz JLGWQDVMZOBLFR-UHFFFAOYSA-N 1 0 381.361 2.781 20 0 GFADRO C[C@H]([NH2+]CC1CCN(S(C)(=O)=O)CC1)c1ccc(F)cc1OC(F)F ZINC000130278640 551362715 /nfs/dbraw/zinc/36/27/15/551362715.db2.gz SGAYFMFTLKVCHQ-NSHDSACASA-N 1 0 380.432 2.749 20 0 GFADRO C[C@H](CNC(=O)c1ccc(S(=O)(=O)c2ccccc2)s1)[N@H+](C)C1CC1 ZINC000130345391 551363835 /nfs/dbraw/zinc/36/38/35/551363835.db2.gz IPVBSLOIEOVXBU-CYBMUJFWSA-N 1 0 378.519 2.793 20 0 GFADRO COc1ccc(Br)cc1C(=O)CCC(=O)NC[C@H](C1CC1)[NH+](C)C ZINC000130684834 551368461 /nfs/dbraw/zinc/36/84/61/551368461.db2.gz YUIBTMNYFBKYOQ-OAHLLOKOSA-N 1 0 397.313 2.877 20 0 GFADRO CCN(C)C(=O)CC[NH+]1CCN(Cc2ccc(Br)c(F)c2)CC1 ZINC000130714967 551368510 /nfs/dbraw/zinc/36/85/10/551368510.db2.gz HTKAOIOOZQKKAB-UHFFFAOYSA-N 1 0 386.309 2.574 20 0 GFADRO NC(=O)[C@H]([NH2+][C@@H]1CCO[C@]2(CCSC2)C1)c1ccc(Br)cc1 ZINC000131050337 551371448 /nfs/dbraw/zinc/37/14/48/551371448.db2.gz VELPFUVQBPXYDJ-IIAWOOMASA-N 1 0 385.327 2.620 20 0 GFADRO CCC[NH+]1CCC(N(C)S(=O)(=O)c2ccc(C(=O)OC)c(Cl)c2)CC1 ZINC000132114664 551377109 /nfs/dbraw/zinc/37/71/09/551377109.db2.gz MPXTWZNLHXQRAP-UHFFFAOYSA-N 1 0 388.917 2.622 20 0 GFADRO COC[C@H]([NH2+][C@@H](C)C(=O)Nc1ccc(I)cc1)C1CC1 ZINC000136666594 551389948 /nfs/dbraw/zinc/38/99/48/551389948.db2.gz DGWXPEWBSBOXNX-HZMBPMFUSA-N 1 0 388.249 2.633 20 0 GFADRO COCC[NH+]1CCC(NC(=O)N(C)Cc2ccccc2Br)CC1 ZINC000140194884 551392535 /nfs/dbraw/zinc/39/25/35/551392535.db2.gz OPSZJCKPFLCEDO-UHFFFAOYSA-N 1 0 384.318 2.701 20 0 GFADRO C[C@H](CNC(=O)c1ccc(Cl)c(NS(C)(=O)=O)c1)[NH+]1CCC(C)CC1 ZINC000141417062 551394229 /nfs/dbraw/zinc/39/42/29/551394229.db2.gz SJFMFGCWOKLOEX-CYBMUJFWSA-N 1 0 387.933 2.562 20 0 GFADRO O=C(/C=C/c1ccc(I)o1)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000142197421 551394863 /nfs/dbraw/zinc/39/48/63/551394863.db2.gz CBPXLWWKOZXXBB-HOSRBBHYSA-N 1 0 386.233 2.594 20 0 GFADRO O=C(CNC(=O)c1ccsc1)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000150288814 551400205 /nfs/dbraw/zinc/40/02/05/551400205.db2.gz FFCJONKOEOTNJI-CQSZACIVSA-N 1 0 377.535 2.568 20 0 GFADRO C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)c1ccccc1Br ZINC000150835014 551402179 /nfs/dbraw/zinc/40/21/79/551402179.db2.gz SFTLEGBMGBECQX-UHFFFAOYSA-N 1 0 376.254 2.862 20 0 GFADRO CSCCC(=O)NCc1cc(C(F)(F)F)ccc1N1CC[NH+](C)CC1 ZINC000150875200 551402778 /nfs/dbraw/zinc/40/27/78/551402778.db2.gz SNCHUROUAMPSKG-UHFFFAOYSA-N 1 0 375.460 2.827 20 0 GFADRO C[NH2+][C@@H]1CCCN(C(=O)c2ccc(Cl)c(I)c2)C1 ZINC000151012886 551405811 /nfs/dbraw/zinc/40/58/11/551405811.db2.gz MUFCRTDJKBBABA-SNVBAGLBSA-N 1 0 378.641 2.769 20 0 GFADRO CC[NH+]1CCC(NC(=O)C(=O)Nc2cc(Cl)ccc2Br)CC1 ZINC000151130764 551408015 /nfs/dbraw/zinc/40/80/15/551408015.db2.gz NRDNGZLKXGVJJJ-UHFFFAOYSA-N 1 0 388.693 2.642 20 0 GFADRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)Nc1ccc(Br)nc1 ZINC000151598463 551417675 /nfs/dbraw/zinc/41/76/75/551417675.db2.gz DNZBVUDXIWCFOZ-ZDUSSCGKSA-N 1 0 397.317 2.553 20 0 GFADRO Cc1cc(S(=O)(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)ccc1Br ZINC000151623990 551418205 /nfs/dbraw/zinc/41/82/05/551418205.db2.gz KNZZZOQPNWEHCN-AWEZNQCLSA-N 1 0 387.343 2.864 20 0 GFADRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)Nc1cc(F)c(I)c(F)c1 ZINC000415125139 563760039 /nfs/dbraw/zinc/76/00/39/563760039.db2.gz RWBGIZMANMINFV-HTQZYQBOSA-N 1 0 395.191 2.770 20 0 GFADRO Cc1ccc(Br)c(NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)c1 ZINC000152446019 551433147 /nfs/dbraw/zinc/43/31/47/551433147.db2.gz ILDJBEWCVXHDBV-ZDUSSCGKSA-N 1 0 394.313 2.829 20 0 GFADRO COCCC[N@H+](C)CCNC(=O)[C@@H](C)Oc1ccc(C)cc1Br ZINC000152445947 551433157 /nfs/dbraw/zinc/43/31/57/551433157.db2.gz JWQJRBNEUJJFTB-CQSZACIVSA-N 1 0 387.318 2.609 20 0 GFADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(Br)c(Cl)c1 ZINC000152531987 551434746 /nfs/dbraw/zinc/43/47/46/551434746.db2.gz LSCCUOHZUBVMRL-GFCCVEGCSA-N 1 0 375.694 2.943 20 0 GFADRO C[N@H+](CCN1C(=O)NC(C)(C)C1=O)CC1(c2ccc(Br)cc2)CC1 ZINC000152603470 551436445 /nfs/dbraw/zinc/43/64/45/551436445.db2.gz HGSKFAXTSXCDEJ-UHFFFAOYSA-N 1 0 394.313 2.743 20 0 GFADRO C[NH+](C)C[C@@](C)(O)CNC(=O)CCSc1ccnc2cc(Cl)ccc21 ZINC000152827307 551440612 /nfs/dbraw/zinc/44/06/12/551440612.db2.gz RJSFYLUAEUNSSS-SFHVURJKSA-N 1 0 381.929 2.799 20 0 GFADRO CC(=O)N1CC[C@H]([NH2+]Cc2c(C)nn(-c3ccc(Br)cc3)c2C)C1 ZINC000152848670 551441202 /nfs/dbraw/zinc/44/12/02/551441202.db2.gz PLTVEJVWCAZQFA-INIZCTEOSA-N 1 0 391.313 2.962 20 0 GFADRO Cc1ccc(Br)cc1S(=O)(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000152904772 551442130 /nfs/dbraw/zinc/44/21/30/551442130.db2.gz CJNBQZQLCPYYNS-HIFRSBDPSA-N 1 0 387.343 2.862 20 0 GFADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)Cc1c[nH]c2cccc(Br)c12 ZINC000152948216 551443205 /nfs/dbraw/zinc/44/32/05/551443205.db2.gz KQFSUTFXNQCDGI-AWEZNQCLSA-N 1 0 394.313 2.700 20 0 GFADRO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(C(=O)Nc2cc(Cl)cc(Cl)c2)CC1 ZINC000152968707 551443904 /nfs/dbraw/zinc/44/39/04/551443904.db2.gz PSJBNINWKGPWIG-HNNXBMFYSA-N 1 0 385.295 2.939 20 0 GFADRO C[NH+]1CCC(Oc2ccc(NC(=O)CSCc3cscn3)cn2)CC1 ZINC000152988178 551444103 /nfs/dbraw/zinc/44/41/03/551444103.db2.gz XDMSDCYNQXXHSX-UHFFFAOYSA-N 1 0 378.523 2.883 20 0 GFADRO C[C@H](C[NH2+][C@@H](C)CC(=O)Nc1cccc(Br)c1)CN1CCOCC1 ZINC000153116106 551446786 /nfs/dbraw/zinc/44/67/86/551446786.db2.gz RLTXJTZNJHFEAD-CABCVRRESA-N 1 0 398.345 2.724 20 0 GFADRO CC(C)OC[C@@H](O)C[NH+]1CCN(CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000153283623 551449737 /nfs/dbraw/zinc/44/97/37/551449737.db2.gz PRFGTGQCPKAUDM-INIZCTEOSA-N 1 0 375.340 2.939 20 0 GFADRO CC[C@H]1C[N@H+](C[C@H](O)COCc2ccccc2Cl)CCN1CC(F)F ZINC000153609033 551456622 /nfs/dbraw/zinc/45/66/22/551456622.db2.gz XZHBFODROUUYSJ-HOTGVXAUSA-N 1 0 376.875 2.879 20 0 GFADRO FC(F)(F)CN1CCC([NH2+]C[C@H](c2cccs2)N2CCOCC2)CC1 ZINC000153648032 551457488 /nfs/dbraw/zinc/45/74/88/551457488.db2.gz KIGQPCFYLANWQM-OAHLLOKOSA-N 1 0 377.476 2.738 20 0 GFADRO C[C@H]1C[C@H](NC(=O)Cc2ccccc2I)C[N@@H+]1C1CC1 ZINC000154068821 551466838 /nfs/dbraw/zinc/46/68/38/551466838.db2.gz SVAXKMPJECJQJX-AAEUAGOBSA-N 1 0 384.261 2.575 20 0 GFADRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)C(=O)Nc1cccc(Br)c1 ZINC000154426785 551475136 /nfs/dbraw/zinc/47/51/36/551475136.db2.gz QKQNADMIFRPOSW-OAHLLOKOSA-N 1 0 382.302 2.720 20 0 GFADRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(=O)Nc1cccc(Br)c1 ZINC000154426904 551475151 /nfs/dbraw/zinc/47/51/51/551475151.db2.gz QKQNADMIFRPOSW-HNNXBMFYSA-N 1 0 382.302 2.720 20 0 GFADRO Cc1ccc(Br)c(NC(=O)C(=O)NC[C@H]2CC[N@@H+](CC(C)C)C2)c1 ZINC000154503255 551476441 /nfs/dbraw/zinc/47/64/41/551476441.db2.gz WHXJQXYEPYTOPO-CQSZACIVSA-N 1 0 396.329 2.790 20 0 GFADRO C[N@@H+]1CCC[C@@H]2CN(S(=O)(=O)c3ccc(Br)cc3F)CC[C@@H]21 ZINC000154536253 551477332 /nfs/dbraw/zinc/47/73/32/551477332.db2.gz LRIMRERSBSFZAN-RISCZKNCSA-N 1 0 391.306 2.693 20 0 GFADRO CCOc1cc(Br)ccc1NC(=O)NCC[N@H+](C)CCCOC ZINC000154984121 551487599 /nfs/dbraw/zinc/48/75/99/551487599.db2.gz FGMFCNDMQQCZRA-UHFFFAOYSA-N 1 0 388.306 2.938 20 0 GFADRO CC[C@@H](C)[N@H+](C)CCNC(=O)Nc1cc(Br)cnc1-n1cccn1 ZINC000154978551 551487860 /nfs/dbraw/zinc/48/78/60/551487860.db2.gz KPYVPSQDAYPLOA-GFCCVEGCSA-N 1 0 395.305 2.882 20 0 GFADRO C[C@H](NC(=O)CSc1nnc(-c2cccs2)n1C)C(C)(C)C[NH+](C)C ZINC000155035884 551489242 /nfs/dbraw/zinc/48/92/42/551489242.db2.gz NRCSTCOXZABNRR-LBPRGKRZSA-N 1 0 381.571 2.728 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)CNC(=O)c2ccc(Cl)cc2Cl)[C@H](C)C1 ZINC000155039519 551489789 /nfs/dbraw/zinc/48/97/89/551489789.db2.gz BEUCXSUUVVPPBK-MLGOLLRUSA-N 1 0 386.323 2.912 20 0 GFADRO Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)CN(C)[C@H]1CCSC1 ZINC000155268917 551495877 /nfs/dbraw/zinc/49/58/77/551495877.db2.gz MDEHSBDXPXDUHS-KRWDZBQOSA-N 1 0 379.595 2.920 20 0 GFADRO [NH3+][C@@H](Cc1ccccc1)C(=O)N1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000155320073 551496985 /nfs/dbraw/zinc/49/69/85/551496985.db2.gz NOGJZFVXKSVNTL-ZWKOTPCHSA-N 1 0 389.293 2.919 20 0 GFADRO CC1CC[NH+](CCNS(=O)(=O)c2cc(F)ccc2Br)CC1 ZINC000155335947 551497495 /nfs/dbraw/zinc/49/74/95/551497495.db2.gz YWTGCBKCNUJSNB-UHFFFAOYSA-N 1 0 379.295 2.598 20 0 GFADRO C[NH+](C)CC(C)(C)CNC(=O)C(=O)Nc1ccc(Cl)c(Br)c1 ZINC000155585544 551503005 /nfs/dbraw/zinc/50/30/05/551503005.db2.gz YZLXOMNZLLASHG-UHFFFAOYSA-N 1 0 390.709 2.745 20 0 GFADRO C[C@H]([NH2+]CCc1cccs1)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000155575447 551503122 /nfs/dbraw/zinc/50/31/22/551503122.db2.gz MGNLIDMJFNHFJJ-HNNXBMFYSA-N 1 0 380.535 2.662 20 0 GFADRO COc1cc(Br)c(S(=O)(=O)NCC[N@H+](C)C(C)C)cc1Cl ZINC000155610293 551504113 /nfs/dbraw/zinc/50/41/13/551504113.db2.gz PMZXJOLFACVHPN-UHFFFAOYSA-N 1 0 399.738 2.730 20 0 GFADRO [NH3+]C1CCN(C(=O)Nc2cc(Br)cnc2OCC(F)(F)F)CC1 ZINC000415173070 563761989 /nfs/dbraw/zinc/76/19/89/563761989.db2.gz PKYFWFFDGKIDKK-UHFFFAOYSA-N 1 0 397.195 2.740 20 0 GFADRO Cc1cccc(S(=O)(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)c1Br ZINC000156345335 551520750 /nfs/dbraw/zinc/52/07/50/551520750.db2.gz GWTMARZIAIREEV-QWHCGFSZSA-N 1 0 375.332 2.718 20 0 GFADRO O=C(CC1([NH+]2CCOCC2)CCCC1)NCc1ccc(O)c(Br)c1 ZINC000156538715 551524482 /nfs/dbraw/zinc/52/44/82/551524482.db2.gz HWMBZTKJBONWCZ-UHFFFAOYSA-N 1 0 397.313 2.806 20 0 GFADRO C[C@H](CCC[NH3+])NC(=O)Nc1cc(F)c(F)cc1I ZINC000415237357 563762958 /nfs/dbraw/zinc/76/29/58/563762958.db2.gz IERDJYVDHXGFLY-SSDOTTSWSA-N 1 0 383.180 2.818 20 0 GFADRO Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)c1csc(S(N)(=O)=O)c1 ZINC000156815769 551528867 /nfs/dbraw/zinc/52/88/67/551528867.db2.gz XNDFEFOIEPKFDP-UHFFFAOYSA-N 1 0 379.507 2.552 20 0 GFADRO C[C@@H](C(=O)N(C)C)[NH+]1CCC(C(=O)Nc2ccccc2Br)CC1 ZINC000156872400 551530220 /nfs/dbraw/zinc/53/02/20/551530220.db2.gz ZUILJLCGNOZBLX-LBPRGKRZSA-N 1 0 382.302 2.576 20 0 GFADRO CC(C)C[C@](C)(C[NH3+])NC(=O)[C@@H](C)NC(=O)c1ccc(Br)s1 ZINC000157510430 551538553 /nfs/dbraw/zinc/53/85/53/551538553.db2.gz NBUUWVFLODSFCN-MEBBXXQBSA-N 1 0 390.347 2.509 20 0 GFADRO Cc1cc(NC(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)ccc1Br ZINC000157664589 551541098 /nfs/dbraw/zinc/54/10/98/551541098.db2.gz BKWXWVWSLMBZHT-ZDUSSCGKSA-N 1 0 383.334 2.763 20 0 GFADRO C[C@H](CCn1cccn1)[NH2+]CCCNC(=O)c1cccc(Br)c1 ZINC000157705641 551541780 /nfs/dbraw/zinc/54/17/80/551541780.db2.gz ZPXMBUWPHIIRKU-CQSZACIVSA-N 1 0 379.302 2.834 20 0 GFADRO CCc1c(NC(=O)C[NH2+]CCOC)n[nH]c1-c1ccc(Br)cc1 ZINC000157775136 551542891 /nfs/dbraw/zinc/54/28/91/551542891.db2.gz YGQWDTSVPFFZLN-UHFFFAOYSA-N 1 0 381.274 2.576 20 0 GFADRO O=C([C@@H]1CCN(c2cc(Cl)ccc2Cl)C1=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000158839626 551557333 /nfs/dbraw/zinc/55/73/33/551557333.db2.gz LOCVLNXIEFHRCY-SCLBCKFNSA-N 1 0 382.291 2.558 20 0 GFADRO Cn1cc(CNC(=O)NC[C@@H](c2cccs2)[NH+](C)C)c(C(F)(F)F)n1 ZINC000158987937 551559881 /nfs/dbraw/zinc/55/98/81/551559881.db2.gz VJWPDWYILPUCFC-NSHDSACASA-N 1 0 375.420 2.603 20 0 GFADRO O=C(NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1cccc(Br)c1 ZINC000159231413 551562512 /nfs/dbraw/zinc/56/25/12/551562512.db2.gz LSOOKFPZQZUAIG-GOSISDBHSA-N 1 0 389.293 2.598 20 0 GFADRO C[NH+](C)C[C@@H](Cc1ccccc1)N[C@H](C(N)=O)c1cccc(Br)c1 ZINC000161974214 551601402 /nfs/dbraw/zinc/60/14/02/551601402.db2.gz OHUAYFOTILKDCY-MSOLQXFVSA-N 1 0 390.325 2.738 20 0 GFADRO Cc1ccc(C(=O)NC[C@H](C(C)C)[NH+]2CCN(C)CC2)c(Br)c1 ZINC000162153456 551604176 /nfs/dbraw/zinc/60/41/76/551604176.db2.gz LSWJFFPAVRRKKU-QGZVFWFLSA-N 1 0 382.346 2.759 20 0 GFADRO O=C(NC[C@H]1CCC[NH2+]C1)Nc1ccc(F)cc1I ZINC000415248913 563763726 /nfs/dbraw/zinc/76/37/26/563763726.db2.gz IAOAZYGMDUDFEC-VIFPVBQESA-N 1 0 377.201 2.551 20 0 GFADRO Cc1c(Br)cccc1NC(=O)C(=O)N(CC[NH+](C)C)CC(C)C ZINC000162803930 551613295 /nfs/dbraw/zinc/61/32/95/551613295.db2.gz ZOTNDVCGDYICNV-UHFFFAOYSA-N 1 0 384.318 2.742 20 0 GFADRO CC(C)(C)[C@H]([NH3+])C(=O)N1CCC(C(=O)Nc2ccccc2Br)CC1 ZINC000163244376 551617891 /nfs/dbraw/zinc/61/78/91/551617891.db2.gz DHKHKGHFEOYKHN-OAHLLOKOSA-N 1 0 396.329 3.000 20 0 GFADRO COCCN1CCC[C@H]1C[NH2+][C@H](C)CC(=O)Nc1cccc(Br)c1 ZINC000163277358 551618369 /nfs/dbraw/zinc/61/83/69/551618369.db2.gz IWFVFZAZTTZKOE-PBHICJAKSA-N 1 0 398.345 2.867 20 0 GFADRO COCCN1CCC[C@H]1C[NH2+][C@@H](C)CC(=O)Nc1ccc(Br)cc1 ZINC000163425972 551619428 /nfs/dbraw/zinc/61/94/28/551619428.db2.gz OAJBGIKLOMYRBX-YOEHRIQHSA-N 1 0 398.345 2.867 20 0 GFADRO C[C@@H](Cn1cc(Br)cn1)[NH2+][C@H](CN1CCOCC1)c1ccccc1 ZINC000163709993 551621823 /nfs/dbraw/zinc/62/18/23/551621823.db2.gz ZEHBZUHKBDIZCH-MAUKXSAKSA-N 1 0 393.329 2.697 20 0 GFADRO Cc1cc(Cl)ncc1NC(=O)C(=O)N(CC[NH+](C)C)Cc1cccs1 ZINC000163867467 551622493 /nfs/dbraw/zinc/62/24/93/551622493.db2.gz UCZSYZGPSFLFEM-UHFFFAOYSA-N 1 0 380.901 2.634 20 0 GFADRO CCC[N@H+](CC)CCNC(=O)N(C)[C@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000163969584 551623622 /nfs/dbraw/zinc/62/36/22/551623622.db2.gz XGCXOLUMKPHTNO-HNNXBMFYSA-N 1 0 387.933 2.542 20 0 GFADRO C[N@H+](CC(=O)NCc1cccc(COCC(F)(F)F)c1)[C@H]1CCSC1 ZINC000164793832 551626943 /nfs/dbraw/zinc/62/69/43/551626943.db2.gz UGBNCXVEWLIZGI-HNNXBMFYSA-N 1 0 376.444 2.819 20 0 GFADRO Cc1cc(N2CCC[C@H](NC3CC[NH+](C)CC3)C2=O)ccc1Br ZINC000164781578 551627292 /nfs/dbraw/zinc/62/72/92/551627292.db2.gz CVFLCFCLKNARNQ-KRWDZBQOSA-N 1 0 380.330 2.937 20 0 GFADRO COc1ccc([C@H](C)[NH2+][C@H](C(=O)N2CCOCC2)C(C)C)cc1Br ZINC000164840693 551627690 /nfs/dbraw/zinc/62/76/90/551627690.db2.gz QZMSWIUXKGMSNA-GUYCJALGSA-N 1 0 399.329 2.992 20 0 GFADRO COCCC[NH+]1CCC(NC(=O)c2ccc(Br)cc2OC)CC1 ZINC000171122579 551647995 /nfs/dbraw/zinc/64/79/95/551647995.db2.gz OHQAIOHOCULQFT-UHFFFAOYSA-N 1 0 385.302 2.688 20 0 GFADRO C[C@H]1C[N@@H+](C2CCN(Cc3cc4c(c(Br)c3)OCO4)CC2)CCO1 ZINC000171343618 551653295 /nfs/dbraw/zinc/65/32/95/551653295.db2.gz ZEPLTVCUIXJHRM-ZDUSSCGKSA-N 1 0 397.313 2.863 20 0 GFADRO CCc1nn(C)c(Cl)c1CNCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000172064144 551669503 /nfs/dbraw/zinc/66/95/03/551669503.db2.gz OFUJVDNZVYXOTE-UHFFFAOYSA-N 1 0 376.309 2.853 20 0 GFADRO C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)C1 ZINC000172291650 551675188 /nfs/dbraw/zinc/67/51/88/551675188.db2.gz LQGFYPIVWIIHAK-JTQLQIEISA-N 1 0 377.794 2.707 20 0 GFADRO C[C@H](Oc1cc(Cl)cc(Cl)c1)C(=O)NCCC[NH+]1CCC(O)CC1 ZINC000172312625 551676090 /nfs/dbraw/zinc/67/60/90/551676090.db2.gz PZDWTWAWARRCJO-LBPRGKRZSA-N 1 0 375.296 2.724 20 0 GFADRO O=C(/C=C/c1cc(Br)ccc1F)NCCC[NH+]1CCC(O)CC1 ZINC000172312668 551676149 /nfs/dbraw/zinc/67/61/49/551676149.db2.gz ZBNOZLRKXXFBKS-GORDUTHDSA-N 1 0 385.277 2.564 20 0 GFADRO NC(=O)[C@@H]1CCC[C@@H]([NH2+]Cc2nc(-c3ccc(Br)cc3)c[nH]2)C1 ZINC000172634049 551683599 /nfs/dbraw/zinc/68/35/99/551683599.db2.gz FCXIYTCUTLOMTB-TZMCWYRMSA-N 1 0 377.286 2.973 20 0 GFADRO COc1c(Br)c(C)sc1C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000172924888 551690150 /nfs/dbraw/zinc/69/01/50/551690150.db2.gz PJNCWSPXRXNSQW-UHFFFAOYSA-N 1 0 387.303 2.838 20 0 GFADRO CCCC[C@@H](C[NH3+])NC(=O)C(=O)Nc1cc(Cl)cc(C)c1Br ZINC000415502988 563779880 /nfs/dbraw/zinc/77/98/80/563779880.db2.gz UDVPDLXLGIOWOC-NSHDSACASA-N 1 0 390.709 2.983 20 0 GFADRO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)c2ccc(F)c(Br)c2)CC1 ZINC000173123644 552078117 /nfs/dbraw/zinc/07/81/17/552078117.db2.gz ARCYHTBYZRZISR-OAHLLOKOSA-N 1 0 398.320 2.830 20 0 GFADRO CN(Cc1cc(Br)ccc1F)[C@@H]1CCCN(c2ccn(C)n2)C1=O ZINC000173260861 552081504 /nfs/dbraw/zinc/08/15/04/552081504.db2.gz FLSJNBFVJOILJF-OAHLLOKOSA-N 1 0 395.276 2.949 20 0 GFADRO CCN(CCOc1ccc(Br)cc1)C(=O)NC1CC[NH+](C)CC1 ZINC000173381495 552084598 /nfs/dbraw/zinc/08/45/98/552084598.db2.gz XDTOLLPWGPZRDF-UHFFFAOYSA-N 1 0 384.318 2.954 20 0 GFADRO COc1c(Br)c(C)sc1C(=O)NCCCC[NH+]1CCOCC1 ZINC000173529717 552086965 /nfs/dbraw/zinc/08/69/65/552086965.db2.gz IOGRUKFUZUQFIK-UHFFFAOYSA-N 1 0 391.331 2.670 20 0 GFADRO O=C(Nc1ccc(Br)cc1)C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000173568924 552088556 /nfs/dbraw/zinc/08/85/56/552088556.db2.gz BDPBESHHHNLEIZ-INIZCTEOSA-N 1 0 394.313 2.768 20 0 GFADRO CC[NH+](CC)C[C@H]1CCN(C(=O)C(=O)Nc2cc(Br)ccc2C)C1 ZINC000173612782 552089456 /nfs/dbraw/zinc/08/94/56/552089456.db2.gz YBBURVWGALELLH-CQSZACIVSA-N 1 0 396.329 2.886 20 0 GFADRO Cc1cc(N2CC[C@@H]([NH2+][C@H](C)c3cccc(Br)c3)C2=O)n(C)n1 ZINC000173890511 552095303 /nfs/dbraw/zinc/09/53/03/552095303.db2.gz RPXIFTRYDLTZDG-IUODEOHRSA-N 1 0 377.286 2.947 20 0 GFADRO CC(C)[NH+]1CCC(NC(=O)c2cc(=O)[nH]c3c(Br)cccc23)CC1 ZINC000175070498 552115310 /nfs/dbraw/zinc/11/53/10/552115310.db2.gz GDSDFRQILXSYPD-UHFFFAOYSA-N 1 0 392.297 2.893 20 0 GFADRO CC(C)OCC[NH+]1CCC(NS(=O)(=O)c2ccc(F)cc2Cl)CC1 ZINC000175451966 552122399 /nfs/dbraw/zinc/12/23/99/552122399.db2.gz RGWADSOWZZHQSG-UHFFFAOYSA-N 1 0 378.897 2.647 20 0 GFADRO C[C@@H](NC(=O)N1CC[NH+](C[C@H]2CCOC2)CC1)c1ccc(Br)cc1 ZINC000175565401 552124938 /nfs/dbraw/zinc/12/49/38/552124938.db2.gz ABRAPJXJNDEZTH-HUUCEWRRSA-N 1 0 396.329 2.874 20 0 GFADRO Cc1cc(Br)ccc1CNC(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000175753263 552128060 /nfs/dbraw/zinc/12/80/60/552128060.db2.gz RTJXKZRNPYAKMW-UHFFFAOYSA-N 1 0 397.361 2.583 20 0 GFADRO O[C@H](CN1CCOCC1)C[N@@H+]1CCC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000175930525 552132910 /nfs/dbraw/zinc/13/29/10/552132910.db2.gz DQAYKNGXUWEYJV-GDBMZVCRSA-N 1 0 389.323 2.530 20 0 GFADRO O=C(NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)NC[C@]1(O)CCSC1 ZINC000176205443 552136644 /nfs/dbraw/zinc/13/66/44/552136644.db2.gz VRUQDOFRDZJBKR-SJLPKXTDSA-N 1 0 383.945 2.644 20 0 GFADRO CCN1CC[NH+](C[C@H](C)CNC(=O)CCc2ccc(Br)cc2)CC1 ZINC000176381001 552139776 /nfs/dbraw/zinc/13/97/76/552139776.db2.gz BVTGLIGANIWMPK-MRXNPFEDSA-N 1 0 396.373 2.772 20 0 GFADRO C[N@@H+](Cc1ccccc1Br)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000176623812 552142397 /nfs/dbraw/zinc/14/23/97/552142397.db2.gz BUWGUOBZFKGEAP-ZDUSSCGKSA-N 1 0 375.332 2.553 20 0 GFADRO O=C(NCc1ccccc1C[NH+]1CCC(O)CC1)c1cc(Br)c[nH]1 ZINC000176689231 552144231 /nfs/dbraw/zinc/14/42/31/552144231.db2.gz RUYHTTSASVMNAV-UHFFFAOYSA-N 1 0 392.297 2.664 20 0 GFADRO C[C@H]1C[NH+](CCCCNC(=O)Cc2ccccc2Br)C[C@H](C)O1 ZINC000176686126 552144236 /nfs/dbraw/zinc/14/42/36/552144236.db2.gz GUQVNOWUGOZXJI-GJZGRUSLSA-N 1 0 383.330 2.997 20 0 GFADRO CSc1ccc(NC(=O)C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)cc1Cl ZINC000176856692 552147194 /nfs/dbraw/zinc/14/71/94/552147194.db2.gz YVRDGONYPLBQHI-ZDUSSCGKSA-N 1 0 381.929 2.945 20 0 GFADRO C[C@H]1C[C@H](NC(=O)c2cc(=O)[nH]c3ccc(Br)cc32)C[N@@H+]1C1CC1 ZINC000177179658 552151282 /nfs/dbraw/zinc/15/12/82/552151282.db2.gz NIUZYVCDXQBMJY-JQWIXIFHSA-N 1 0 390.281 2.646 20 0 GFADRO O=C(CN1CC[NH+]([C@@H]2C[C@H]3CC[C@@H]2C3)CC1)Nc1ccc(Br)cn1 ZINC000177946381 552161170 /nfs/dbraw/zinc/16/11/70/552161170.db2.gz HFJMGVVVQPRWKR-SQWLQELKSA-N 1 0 393.329 2.589 20 0 GFADRO O=C(N[C@@H](CO)c1cccc(Br)c1)NC1CC[NH+](CC2CC2)CC1 ZINC000177971548 552161658 /nfs/dbraw/zinc/16/16/58/552161658.db2.gz YBTDUUDLDXACQC-KRWDZBQOSA-N 1 0 396.329 2.656 20 0 GFADRO O=C(Nc1cccc(C(=O)N2CCC[NH2+]CC2)c1)c1ccc(Br)o1 ZINC000178357186 552169598 /nfs/dbraw/zinc/16/95/98/552169598.db2.gz LUIYQMRURYROPS-UHFFFAOYSA-N 1 0 392.253 2.730 20 0 GFADRO O=C(NCCC[NH+]1CCCC1)c1cc(I)c(F)cc1F ZINC000178483541 552171348 /nfs/dbraw/zinc/17/13/48/552171348.db2.gz OQHFXBVBTSQCSA-UHFFFAOYSA-N 1 0 394.203 2.785 20 0 GFADRO C[C@@H](C(=O)Nc1cc(Cl)ccc1Cl)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000178823730 552176456 /nfs/dbraw/zinc/17/64/56/552176456.db2.gz JGOOPBDUPWHYMF-UONOGXRCSA-N 1 0 386.323 2.975 20 0 GFADRO CCCN(C(=O)c1ccc(I)c(F)c1)[C@@H]1CC[NH2+]C1 ZINC000178927882 552179725 /nfs/dbraw/zinc/17/97/25/552179725.db2.gz GKPSSFVLQIBYCC-LLVKDONJSA-N 1 0 376.213 2.644 20 0 GFADRO CCCN(C(=O)Cc1csc(NC(=O)c2cccs2)n1)[C@H]1CC[NH2+]C1 ZINC000178932014 552179753 /nfs/dbraw/zinc/17/97/53/552179753.db2.gz OMGIEDKESIPKRG-ZDUSSCGKSA-N 1 0 378.523 2.600 20 0 GFADRO O=C(/C=C/c1ccc(Cl)s1)N1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000179034849 552182952 /nfs/dbraw/zinc/18/29/52/552182952.db2.gz FPVZVEIWZSSKRB-CSIFZYERSA-N 1 0 381.929 2.522 20 0 GFADRO CN(C(=O)c1ccc(NC(=O)c2ccc(Br)o2)cc1)[C@H]1CC[NH2+]C1 ZINC000179058910 552183464 /nfs/dbraw/zinc/18/34/64/552183464.db2.gz XHWMMGCEKUJKNU-ZDUSSCGKSA-N 1 0 392.253 2.728 20 0 GFADRO C[C@@H]([NH2+]CC1CCN(S(=O)(=O)C(F)(F)F)CC1)c1ccc(Cl)nc1 ZINC000179125370 552185116 /nfs/dbraw/zinc/18/51/16/552185116.db2.gz QJIBPHYWVUAJDU-SNVBAGLBSA-N 1 0 385.839 2.947 20 0 GFADRO CC[N@H+](CC(=O)NC[C@H]1CCN(c2ccc(Br)cc2)C1)C1CC1 ZINC000179159982 552185559 /nfs/dbraw/zinc/18/55/59/552185559.db2.gz ZXAWNCIZSZXHHG-CQSZACIVSA-N 1 0 380.330 2.876 20 0 GFADRO CCS(=O)(=O)N(C)CCC[NH2+][C@H]1CCc2c1c(Br)ccc2F ZINC000179310928 552189531 /nfs/dbraw/zinc/18/95/31/552189531.db2.gz YLRWNGFGDUQTEY-AWEZNQCLSA-N 1 0 393.322 2.837 20 0 GFADRO O=C(NC1CC[NH+](C2CCCC2)CC1)c1cnn2cc(Br)cnc12 ZINC000179726953 552201275 /nfs/dbraw/zinc/20/12/75/552201275.db2.gz XOFWQTQXRFIRMZ-UHFFFAOYSA-N 1 0 392.301 2.629 20 0 GFADRO C[C@@H]1C[NH+](CCCCNC(=O)c2ccc(Br)cc2O)C[C@@H](C)O1 ZINC000179761228 552202323 /nfs/dbraw/zinc/20/23/23/552202323.db2.gz DZPGXBISBNESBS-CHWSQXEVSA-N 1 0 385.302 2.774 20 0 GFADRO C[C@@H]([NH2+]CCc1nc(C(F)(F)F)cs1)c1ccc(S(N)(=O)=O)cc1 ZINC000180137693 552214441 /nfs/dbraw/zinc/21/44/41/552214441.db2.gz YEILLKJESKIVBL-SECBINFHSA-N 1 0 379.429 2.703 20 0 GFADRO COc1ccc([C@H]([NH2+]C[C@@H](O)CS(=O)(=O)c2cccs2)C(C)C)cc1 ZINC000180201376 552217539 /nfs/dbraw/zinc/21/75/39/552217539.db2.gz QCZMHTAZKJLBCQ-CRAIPNDOSA-N 1 0 383.535 2.878 20 0 GFADRO CC[NH+](CC)C[C@H]1CCN(S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)C1 ZINC000180357914 552224050 /nfs/dbraw/zinc/22/40/50/552224050.db2.gz FEXQMFUBLFHHGU-SECBINFHSA-N 1 0 386.386 2.735 20 0 GFADRO CCOC(=O)C1CCC([NH2+]CCNC(=O)c2ccc(Br)cc2)CC1 ZINC000180426664 552225785 /nfs/dbraw/zinc/22/57/85/552225785.db2.gz FUVIEQIDQCALBW-UHFFFAOYSA-N 1 0 397.313 2.890 20 0 GFADRO COc1ccc(Br)c(CN(C)C(=O)N[C@@H](CC[NH3+])C(F)(F)F)c1 ZINC000416055950 563804306 /nfs/dbraw/zinc/80/43/06/563804306.db2.gz XVNOKKNRNGPIHX-LBPRGKRZSA-N 1 0 398.223 2.879 20 0 GFADRO CC[C@H](CO)[NH+]1CCN(Cc2ccc(OC(F)F)c(Br)c2)CC1 ZINC000180519417 552228388 /nfs/dbraw/zinc/22/83/88/552228388.db2.gz LLODLYITXIEXOL-CYBMUJFWSA-N 1 0 393.272 2.939 20 0 GFADRO C[C@H]1C[C@@H]([NH2+]CCS(=O)(=O)NC[C@H]2CCCCO2)c2ccsc2S1 ZINC000180749091 552235195 /nfs/dbraw/zinc/23/51/95/552235195.db2.gz SRJWPDOSJDMSGK-GZBFAFLISA-N 1 0 390.596 2.752 20 0 GFADRO CCS(=O)(=O)C[C@@H](C)[NH2+][C@H](C)c1ccc(I)cc1 ZINC000180826320 552236928 /nfs/dbraw/zinc/23/69/28/552236928.db2.gz VRRUKATZWGZPGV-GHMZBOCLSA-N 1 0 381.279 2.765 20 0 GFADRO C[C@H]([NH2+]CCCNC(=O)c1cccs1)c1ccc(NS(C)(=O)=O)cc1 ZINC000180833496 552236982 /nfs/dbraw/zinc/23/69/82/552236982.db2.gz WPZVBYFIZBIXII-ZDUSSCGKSA-N 1 0 381.523 2.590 20 0 GFADRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2cncc(Br)c2)cc1 ZINC000181038760 552243844 /nfs/dbraw/zinc/24/38/44/552243844.db2.gz CFCXSAZVMXRYFM-NSHDSACASA-N 1 0 384.299 2.603 20 0 GFADRO CC1(CNC(=O)[C@H]2CC(=O)N(c3cc(Cl)cc(Cl)c3)C2)CC[NH2+]CC1 ZINC000181284325 552252189 /nfs/dbraw/zinc/25/21/89/552252189.db2.gz UCWVNMYHRYFVQJ-LBPRGKRZSA-N 1 0 384.307 2.852 20 0 GFADRO C[C@@H]([NH2+]CC(=O)Nc1ccc(I)cc1)c1cccnc1 ZINC000181283624 552252287 /nfs/dbraw/zinc/25/22/87/552252287.db2.gz ZCUMRXURDMBMEA-LLVKDONJSA-N 1 0 381.217 2.976 20 0 GFADRO COCc1nc2n(n1)C[C@H]([NH2+][C@@H]1CCc3c1c(Br)ccc3F)CC2 ZINC000181297725 552252730 /nfs/dbraw/zinc/25/27/30/552252730.db2.gz OFSSVUGBBUWKPT-QMTHXVAHSA-N 1 0 395.276 2.918 20 0 GFADRO C[C@H]([NH2+]CCOc1ccc(Cl)cn1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000181323978 552253727 /nfs/dbraw/zinc/25/37/27/552253727.db2.gz JORGWDNOXHFJPS-ZDUSSCGKSA-N 1 0 383.901 2.715 20 0 GFADRO CC(=O)Nc1cccc([C@@H](C)[NH2+]CCN(C)S(=O)(=O)c2cccs2)c1 ZINC000181501510 552258285 /nfs/dbraw/zinc/25/82/85/552258285.db2.gz WUWSRRDJRNPLJZ-CYBMUJFWSA-N 1 0 381.523 2.678 20 0 GFADRO C[C@H]([NH2+]C[C@@H](O)CS(=O)(=O)c1cccs1)c1cc(F)c(F)c(F)c1 ZINC000181640653 552263448 /nfs/dbraw/zinc/26/34/48/552263448.db2.gz CMEDHIJQVOHXCQ-GXSJLCMTSA-N 1 0 379.425 2.651 20 0 GFADRO C[C@H]([NH2+]C[C@H]1CCCN1S(C)(=O)=O)c1cc(Br)ccc1F ZINC000181691548 552265193 /nfs/dbraw/zinc/26/51/93/552265193.db2.gz ZETXVXRGLUGCRN-CMPLNLGQSA-N 1 0 379.295 2.663 20 0 GFADRO C[C@@H]([NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1)c1ccc(SCC(F)F)cc1 ZINC000181682893 552265315 /nfs/dbraw/zinc/26/53/15/552265315.db2.gz FQLOJFWDTZLNQY-OLZOCXBDSA-N 1 0 378.510 2.976 20 0 GFADRO C[C@H](Cn1cc(Br)cn1)[NH2+]C[C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000181812928 552268469 /nfs/dbraw/zinc/26/84/69/552268469.db2.gz AWUDZQJYZLQXRP-GDBMZVCRSA-N 1 0 391.313 2.672 20 0 GFADRO O=S(=O)(c1ccc(C(F)(F)F)nc1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000181990403 552272011 /nfs/dbraw/zinc/27/20/11/552272011.db2.gz AGOPNDOFZWVWMN-CYBMUJFWSA-N 1 0 377.432 2.739 20 0 GFADRO NC(=O)C[C@@H]([NH2+]CC(=O)Nc1ccccc1Br)C1CCCCC1 ZINC000181989224 552272251 /nfs/dbraw/zinc/27/22/51/552272251.db2.gz UUMHAAFGVMABPN-OAHLLOKOSA-N 1 0 382.302 2.802 20 0 GFADRO O[C@H](C[NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCC2)COc1ccccc1Br ZINC000182022830 552273231 /nfs/dbraw/zinc/27/32/31/552273231.db2.gz CENJCCMACWOBBZ-OQUILHJVSA-N 1 0 382.298 2.736 20 0 GFADRO CCO[C@H]1C[C@H]([NH2+]CCNS(=O)(=O)c2ccc(Cl)s2)C12CCC2 ZINC000182059525 552274470 /nfs/dbraw/zinc/27/44/70/552274470.db2.gz PPFFDJISECLVAO-RYUDHWBXSA-N 1 0 378.947 2.617 20 0 GFADRO O=S(=O)(C[C@@H](O)C[NH2+][C@H]1CCCOc2cc(F)ccc21)c1cccs1 ZINC000182164636 552276713 /nfs/dbraw/zinc/27/67/13/552276713.db2.gz NMHDUIMDLMFEPW-ZFWWWQNUSA-N 1 0 385.482 2.525 20 0 GFADRO CCOC(=O)COc1c(Br)cc(C)cc1C[NH2+]C[C@H]1CCCN1C ZINC000182274774 552280011 /nfs/dbraw/zinc/28/00/11/552280011.db2.gz PIVNBCZXZBYOKF-OAHLLOKOSA-N 1 0 399.329 2.883 20 0 GFADRO C[C@H]([NH2+]CC(=O)Nc1ccc(Br)cn1)c1ccc2c(c1)OCO2 ZINC000182271421 552280436 /nfs/dbraw/zinc/28/04/36/552280436.db2.gz UPEYZDUNLOUYHR-JTQLQIEISA-N 1 0 378.226 2.862 20 0 GFADRO Cc1cc(NC(=O)N2CCC([N@H+]3CCO[C@H](C)C3)CC2)cnc1Br ZINC000182416850 552283105 /nfs/dbraw/zinc/28/31/05/552283105.db2.gz VQDGFXPXSPVQTL-CYBMUJFWSA-N 1 0 397.317 2.870 20 0 GFADRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)NCCOc2cccc(Br)c2)C1 ZINC000182437883 552284400 /nfs/dbraw/zinc/28/44/00/552284400.db2.gz FVHZXVOQGMCNEP-PBHICJAKSA-N 1 0 396.329 2.954 20 0 GFADRO CCS(=O)(=O)C[C@@H](C)[NH2+]C[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000182592267 552288362 /nfs/dbraw/zinc/28/83/62/552288362.db2.gz OXUIYOMYEVVRRL-ZIAGYGMSSA-N 1 0 389.359 2.688 20 0 GFADRO CC[C@H](C)[C@H](C)[NH2+]CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000183087849 552299774 /nfs/dbraw/zinc/29/97/74/552299774.db2.gz OTXULIMTFOAZBE-RYUDHWBXSA-N 1 0 375.922 2.553 20 0 GFADRO C[NH+](C)CCOc1cc(C(=O)Nc2cc(Br)ccc2O)ccn1 ZINC000183224667 552303210 /nfs/dbraw/zinc/30/32/10/552303210.db2.gz MWYMIQSWNBDZDS-UHFFFAOYSA-N 1 0 380.242 2.742 20 0 GFADRO O=S1(=O)CCC[C@H]([NH2+]CCCOc2ncc(C(F)(F)F)cc2Cl)C1 ZINC000183397679 552307921 /nfs/dbraw/zinc/30/79/21/552307921.db2.gz INEMXTATZSJQQI-NSHDSACASA-N 1 0 386.823 2.690 20 0 GFADRO COC[C@H]([NH2+]CC(=O)Nc1c(Cl)cc(Cl)cc1C(=O)OC)C1CC1 ZINC000183439316 552309153 /nfs/dbraw/zinc/30/91/53/552309153.db2.gz HEFILTNOQOJCIF-ZDUSSCGKSA-N 1 0 375.252 2.733 20 0 GFADRO Cc1csc([C@@H]([NH2+]C[C@@](C)(O)c2ccc(S(C)(=O)=O)cc2)C2CC2)n1 ZINC000183497269 552310937 /nfs/dbraw/zinc/31/09/37/552310937.db2.gz XRFFJVLQNOFKDY-FUHWJXTLSA-N 1 0 380.535 2.803 20 0 GFADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)CSc1nc2ccccc2s1 ZINC000184289988 552331675 /nfs/dbraw/zinc/33/16/75/552331675.db2.gz FPXFQURIBOOEIO-CQSZACIVSA-N 1 0 378.567 2.531 20 0 GFADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)/C=C/c1ccc(Br)cc1 ZINC000184358092 552333519 /nfs/dbraw/zinc/33/35/19/552333519.db2.gz JDJQSDWMJBMTAT-PXTSUWAFSA-N 1 0 380.330 2.605 20 0 GFADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)[C@@H]1C[C@@H]1c1cccc(Br)c1 ZINC000184393049 552334625 /nfs/dbraw/zinc/33/46/25/552334625.db2.gz HUIFDPZCYMSXFK-ZTFGCOKTSA-N 1 0 394.357 2.695 20 0 GFADRO C[C@@H](C(F)(F)F)S(=O)(=O)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000184390289 552334903 /nfs/dbraw/zinc/33/49/03/552334903.db2.gz ZMUXWCHOUCUJCR-HNNXBMFYSA-N 1 0 378.460 2.908 20 0 GFADRO C[C@H]1OCC[C@@H]1S(=O)(=O)N(CC[NH+]1CCCC1)Cc1ccc(Cl)cc1 ZINC000184463184 552335850 /nfs/dbraw/zinc/33/58/50/552335850.db2.gz YLOVYCLMRYXVAA-QAPCUYQASA-N 1 0 386.945 2.745 20 0 GFADRO Cn1nc(CC[NH2+][C@H](C(N)=O)c2ccc(Br)cc2)c2ccccc21 ZINC000184669987 552341874 /nfs/dbraw/zinc/34/18/74/552341874.db2.gz QVDCWWJYJUKGJT-KRWDZBQOSA-N 1 0 387.281 2.695 20 0 GFADRO Cc1ccc(CCC(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)c(Br)c1 ZINC000185051556 552352233 /nfs/dbraw/zinc/35/22/33/552352233.db2.gz OTIMJIKVUJFDNV-MRXNPFEDSA-N 1 0 396.373 2.690 20 0 GFADRO CN1CC[NH+](CCC(C)(C)NC(=O)NCc2cccc(Br)c2)CC1 ZINC000185288429 552360452 /nfs/dbraw/zinc/36/04/52/552360452.db2.gz OMRAKGVXWYFANC-UHFFFAOYSA-N 1 0 397.361 2.664 20 0 GFADRO Cc1c(Cl)cc(S(=O)(=O)N[C@@H](C)CCN2CC[NH+](C)CC2)cc1Cl ZINC000185336293 552361073 /nfs/dbraw/zinc/36/10/73/552361073.db2.gz IQZDNCZFLMYYPQ-LBPRGKRZSA-N 1 0 394.368 2.606 20 0 GFADRO C[NH+]1CCC(NCc2cc(Br)cc(Br)c2N)CC1 ZINC000185760327 552370255 /nfs/dbraw/zinc/37/02/55/552370255.db2.gz GPSVDLMBGBQFAK-UHFFFAOYSA-N 1 0 377.124 2.978 20 0 GFADRO COc1cc(Br)ccc1CNC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000186093037 552378575 /nfs/dbraw/zinc/37/85/75/552378575.db2.gz MTHSWAMHKDMWQL-UHFFFAOYSA-N 1 0 382.302 2.884 20 0 GFADRO CSCc1ccccc1NC(=O)C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000186201090 552381772 /nfs/dbraw/zinc/38/17/72/552381772.db2.gz CMFCJRLCYOFXIQ-HNNXBMFYSA-N 1 0 377.535 2.969 20 0 GFADRO C[NH+](C)CCC1CCN(S(=O)(=O)c2ccc(Br)c(F)c2)CC1 ZINC000186314480 552384971 /nfs/dbraw/zinc/38/49/71/552384971.db2.gz YGLMLCJZVCYOKM-UHFFFAOYSA-N 1 0 393.322 2.941 20 0 GFADRO CCOC(=O)c1nn(C)cc1C[NH2+]C[C@H](C)Oc1ccccc1Br ZINC000186377297 552386459 /nfs/dbraw/zinc/38/64/59/552386459.db2.gz LRPXKRDESLJALP-LBPRGKRZSA-N 1 0 396.285 2.916 20 0 GFADRO COC(=O)c1sccc1S(=O)(=O)N[C@@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000186584006 552391911 /nfs/dbraw/zinc/39/19/11/552391911.db2.gz IKEDHZJZAREFPO-WFASDCNBSA-N 1 0 382.507 2.504 20 0 GFADRO CC[N@H+](C)CCNS(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCCCO1 ZINC000186698981 552395420 /nfs/dbraw/zinc/39/54/20/552395420.db2.gz XOVXVABEYGLLGT-OAHLLOKOSA-N 1 0 390.933 2.518 20 0 GFADRO Cc1cc(Br)cc(S(=O)(=O)NCCC2CC[NH+](C)CC2)c1 ZINC000187115979 552407267 /nfs/dbraw/zinc/40/72/67/552407267.db2.gz BYGPQZXNMJYDHA-UHFFFAOYSA-N 1 0 375.332 2.768 20 0 GFADRO C[C@@H]([NH2+]CCc1nc(-c2ccc(Cl)cc2)no1)C1CCS(=O)(=O)CC1 ZINC000187332176 552412810 /nfs/dbraw/zinc/41/28/10/552412810.db2.gz WJNUCPJYSGGIDI-GFCCVEGCSA-N 1 0 383.901 2.735 20 0 GFADRO Cc1ccc(Br)cc1CNC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C ZINC000187794860 552424321 /nfs/dbraw/zinc/42/43/21/552424321.db2.gz OMCKMQJWVIBXNH-CQSZACIVSA-N 1 0 398.345 2.744 20 0 GFADRO CSC[C@H](O)C[NH+]1CCC(C(=O)Nc2ccccc2Br)CC1 ZINC000187871019 552427158 /nfs/dbraw/zinc/42/71/58/552427158.db2.gz SELCXICQVVGEAI-CYBMUJFWSA-N 1 0 387.343 2.824 20 0 GFADRO CCS(=O)(=O)N1CCC([NH2+][C@H](C)Cc2ccc(Br)cc2)CC1 ZINC000188115555 552435549 /nfs/dbraw/zinc/43/55/49/552435549.db2.gz AGIQUMPEYJTCPS-CYBMUJFWSA-N 1 0 389.359 2.784 20 0 GFADRO CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2cc(C)cc(Br)c2)C1 ZINC000188111738 552435650 /nfs/dbraw/zinc/43/56/50/552435650.db2.gz GBQPAPADDJQVFH-CQSZACIVSA-N 1 0 396.329 2.886 20 0 GFADRO CCOc1c(Br)cc(C(=O)N2CC[NH+]3CCC2CC3)cc1OC ZINC000188652032 552450857 /nfs/dbraw/zinc/45/08/57/552450857.db2.gz FSDOPCGVRSEIIL-UHFFFAOYSA-N 1 0 383.286 2.777 20 0 GFADRO O=C(c1[nH]nc2c1C[NH2+]CC2)N1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000188658539 552451277 /nfs/dbraw/zinc/45/12/77/552451277.db2.gz GMVFTQNIDNMSLM-LLVKDONJSA-N 1 0 381.263 2.656 20 0 GFADRO Cc1cc(Br)ccc1CNC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C ZINC000188690083 552452177 /nfs/dbraw/zinc/45/21/77/552452177.db2.gz AGGIAHVBIKVSIU-CQSZACIVSA-N 1 0 398.345 2.744 20 0 GFADRO COc1cc(Br)cc(S(=O)(=O)N(C)CC2([NH+](C)C)CCC2)c1 ZINC000189141131 552464064 /nfs/dbraw/zinc/46/40/64/552464064.db2.gz VHDFAIDFGJEWLD-UHFFFAOYSA-N 1 0 391.331 2.563 20 0 GFADRO O=S(=O)(CCO)c1ccc(C[NH2+][C@@H]2CCSc3ccc(F)cc32)cc1 ZINC000189161643 552465160 /nfs/dbraw/zinc/46/51/60/552465160.db2.gz NTSHQGLQNKOEND-QGZVFWFLSA-N 1 0 381.494 2.918 20 0 GFADRO COc1ccc(S(=O)(=O)NCc2ccc3c(c2)C[NH2+]C3)cc1Br ZINC000189212180 552466029 /nfs/dbraw/zinc/46/60/29/552466029.db2.gz JQUPDEDVYJXGND-UHFFFAOYSA-N 1 0 397.294 2.539 20 0 GFADRO C[N@@H+](C[C@H](O)CC(F)(F)F)C[C@H](O)COc1ccccc1C(F)(F)F ZINC000189331643 552468678 /nfs/dbraw/zinc/46/86/78/552468678.db2.gz ZQIVRJUXPVFFBY-MNOVXSKESA-N 1 0 375.309 2.690 20 0 GFADRO C[C@@H](O)C[NH+]1CCN(Cc2csc(COc3ccc(Cl)cc3)n2)CC1 ZINC000189357570 552469715 /nfs/dbraw/zinc/46/97/15/552469715.db2.gz ZITCMCNQUOFNIJ-CQSZACIVSA-N 1 0 381.929 2.874 20 0 GFADRO CC[N@H+](C[C@@H](O)COc1c(Cl)cccc1Cl)C[C@H](O)C(F)(F)F ZINC000189504988 552473745 /nfs/dbraw/zinc/47/37/45/552473745.db2.gz HEYAUDZQMSYNRV-SKDRFNHKSA-N 1 0 376.202 2.978 20 0 GFADRO O=C(CN1CC[NH+](CC[C@@H]2CCCO2)CC1)Nc1ccc(Br)cc1 ZINC000189568782 552474626 /nfs/dbraw/zinc/47/46/26/552474626.db2.gz KSUNSAFUOWSOCE-KRWDZBQOSA-N 1 0 396.329 2.574 20 0 GFADRO Cc1cc(NC(=O)[C@H](C)[N@H+](C)CC2(O)CCOCC2)ccc1Br ZINC000189749742 552479414 /nfs/dbraw/zinc/47/94/14/552479414.db2.gz CBINEAKUSYNIQL-ZDUSSCGKSA-N 1 0 385.302 2.558 20 0 GFADRO Cc1[nH]c(=O)c(C(=O)N2CCC[N@@H+](C3CCCC3)CC2)cc1Br ZINC000189760437 552479420 /nfs/dbraw/zinc/47/94/20/552479420.db2.gz YUYMDQHYOXGHOW-UHFFFAOYSA-N 1 0 382.302 2.949 20 0 GFADRO CCN(CCC[NH+](C)C)C(=O)C(=O)Nc1ccc(Cl)cc1OC(F)F ZINC000189818733 552480897 /nfs/dbraw/zinc/48/08/97/552480897.db2.gz MRFCTUKPXNBRQU-UHFFFAOYSA-N 1 0 377.819 2.680 20 0 GFADRO C[C@@H](NC(=O)Nc1ccc(Cl)c(S(C)(=O)=O)c1)C(C)(C)C[NH+](C)C ZINC000189889373 552482217 /nfs/dbraw/zinc/48/22/17/552482217.db2.gz RELKJYFRXMGSQI-LLVKDONJSA-N 1 0 375.922 2.841 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccc(Cl)c(S(C)(=O)=O)c2)[C@H](C)C1 ZINC000189894855 552482391 /nfs/dbraw/zinc/48/23/91/552482391.db2.gz SYANLRWJNZXIDC-DOMZBBRYSA-N 1 0 387.933 2.938 20 0 GFADRO Cc1csc([C@H]2COCCN2C(=O)NC[C@@H](c2cccs2)[NH+](C)C)n1 ZINC000189947839 552483454 /nfs/dbraw/zinc/48/34/54/552483454.db2.gz LFXZSCLUETYNBZ-UONOGXRCSA-N 1 0 380.539 2.899 20 0 GFADRO CCN(C[C@@H](O)C(F)(F)F)C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000189974483 552484277 /nfs/dbraw/zinc/48/42/77/552484277.db2.gz HVKPBGMRRCBABT-TZMCWYRMSA-N 1 0 379.448 2.840 20 0 GFADRO COC(=O)c1scc(C)c1S(=O)(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000190028588 552485506 /nfs/dbraw/zinc/48/55/06/552485506.db2.gz PXRJXXIRDWEWMS-GFCCVEGCSA-N 1 0 388.555 2.632 20 0 GFADRO Cc1cc(Br)cc(NC(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)c1 ZINC000190016771 552485701 /nfs/dbraw/zinc/48/57/01/552485701.db2.gz VTZPNYGFVNOWHJ-MRXNPFEDSA-N 1 0 394.313 2.783 20 0 GFADRO CSC1(C(=O)N2CCCN(Cc3cn4cc(Cl)ccc4n3)CC2)CC1 ZINC000190467451 552497606 /nfs/dbraw/zinc/49/76/06/552497606.db2.gz FPBFDFHSCCIQPV-UHFFFAOYSA-N 1 0 378.929 2.918 20 0 GFADRO Cc1cc(NC(=O)C(=O)N2CCC[C@@H]([NH+](C)C)C2)cc(C)c1Br ZINC000190595769 552502357 /nfs/dbraw/zinc/50/23/57/552502357.db2.gz AGIBUNBSELFPIB-CQSZACIVSA-N 1 0 382.302 2.557 20 0 GFADRO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000190616364 552503252 /nfs/dbraw/zinc/50/32/52/552503252.db2.gz VIHOCNLHRZRXQY-STQMWFEESA-N 1 0 390.933 2.515 20 0 GFADRO CCS(=O)(=O)N1CC(C[NH2+][C@@H](C)CCc2cccc(C(F)(F)F)c2)C1 ZINC000190684847 552505926 /nfs/dbraw/zinc/50/59/26/552505926.db2.gz ZHMVNIPXUJJWDM-ZDUSSCGKSA-N 1 0 378.460 2.898 20 0 GFADRO C[C@@H]1CC[C@@H](C(=O)Nc2ccc(CN3CC[NH+](C)CC3)c(Br)c2)O1 ZINC000191084280 552517920 /nfs/dbraw/zinc/51/79/20/552517920.db2.gz AGUGJJOUYIVLSY-DYVFJYSZSA-N 1 0 396.329 2.703 20 0 GFADRO COCCCCC(=O)Nc1ccc(CN2CC[NH+](C)CC2)c(Br)c1 ZINC000191082810 552518208 /nfs/dbraw/zinc/51/82/08/552518208.db2.gz MDKHZZKKOXAXGT-UHFFFAOYSA-N 1 0 398.345 2.952 20 0 GFADRO C[C@@H]([NH2+]CCC(=O)N1CCN(c2ncccn2)CC1)c1csc(Cl)c1 ZINC000191255027 552522718 /nfs/dbraw/zinc/52/27/18/552522718.db2.gz QGCVYZNHZZOMTQ-CYBMUJFWSA-N 1 0 379.917 2.581 20 0 GFADRO COC(=O)[C@H]1CC[N@H+](CCC(=O)Nc2ccc(Br)cc2)C[C@H]1C ZINC000191817718 552538980 /nfs/dbraw/zinc/53/89/80/552538980.db2.gz YITMCRIABRJKPH-DOMZBBRYSA-N 1 0 383.286 2.909 20 0 GFADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)c2cc(Br)c(F)cc2F)C1 ZINC000191886460 552541072 /nfs/dbraw/zinc/54/10/72/552541072.db2.gz GHVXTSJVRLJPDC-LLVKDONJSA-N 1 0 391.256 2.814 20 0 GFADRO COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000191965413 552544208 /nfs/dbraw/zinc/54/42/08/552544208.db2.gz UPBYKLJHYUNQAW-NSHDSACASA-N 1 0 388.295 2.789 20 0 GFADRO CN1C(=O)C[C@@H]([NH2+]CC(=O)NCc2cccs2)[C@@H]1c1ccc(Cl)cc1 ZINC000192150679 552553432 /nfs/dbraw/zinc/55/34/32/552553432.db2.gz RAKWXAAOGURJMF-QAPCUYQASA-N 1 0 377.897 2.579 20 0 GFADRO CSc1cccc(N(C)S(=O)(=O)c2c(C)nn(CC[NH+](C)C)c2C)c1 ZINC000192584951 552567161 /nfs/dbraw/zinc/56/71/61/552567161.db2.gz KAWQRIYUSBVIAB-UHFFFAOYSA-N 1 0 382.555 2.609 20 0 GFADRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(Cl)cc1)c1ccc(S(N)(=O)=O)cc1 ZINC000192656986 552568676 /nfs/dbraw/zinc/56/86/76/552568676.db2.gz CCHMFHGJIFJLJS-NEPJUHHUSA-N 1 0 381.885 2.665 20 0 GFADRO O=C(Nc1ccc(S(=O)(=O)C(F)(F)F)cc1)C1CC[NH+](C2CC2)CC1 ZINC000192793140 552973604 /nfs/dbraw/zinc/97/36/04/552973604.db2.gz DFGQJAXBZCIFDA-UHFFFAOYSA-N 1 0 376.400 2.793 20 0 GFADRO C[C@@H]([NH2+]CCC(=O)N(C)Cc1ccccc1Br)c1ccnn1C ZINC000192851967 552976280 /nfs/dbraw/zinc/97/62/80/552976280.db2.gz OBAKMFKXGQGFFP-CYBMUJFWSA-N 1 0 379.302 2.882 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)N1CCCN(CC(F)(F)F)CC1)c1cccs1 ZINC000193107176 552983793 /nfs/dbraw/zinc/98/37/93/552983793.db2.gz TVEUVFACXSQHII-CYBMUJFWSA-N 1 0 378.464 2.630 20 0 GFADRO C[NH2+]C[C@H]1CCCN(S(=O)(=O)c2cc(Br)c(F)cc2C)C1 ZINC000193227062 552986694 /nfs/dbraw/zinc/98/66/94/552986694.db2.gz RTFDJYJVJRFIKS-LLVKDONJSA-N 1 0 379.295 2.517 20 0 GFADRO C[NH2+]C[C@H]1CCCN(S(=O)(=O)c2cc(Cl)c(Br)cc2F)C1 ZINC000193227605 552986798 /nfs/dbraw/zinc/98/67/98/552986798.db2.gz ZWDLJFRTYIKDBL-SECBINFHSA-N 1 0 399.713 2.862 20 0 GFADRO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000193260620 552987882 /nfs/dbraw/zinc/98/78/82/552987882.db2.gz DHSOLYQEEFHGTR-STQMWFEESA-N 1 0 390.933 2.502 20 0 GFADRO CCCN([C@@H]1CC[NH2+]C1)S(=O)(=O)c1cc(Cl)ccc1O[C@@H](C)COC ZINC000193264905 552988644 /nfs/dbraw/zinc/98/86/44/552988644.db2.gz LUTRCJHUIOGNIU-DZGCQCFKSA-N 1 0 390.933 2.516 20 0 GFADRO C[NH+](C)CC(C)(C)CNC(=O)C(=O)Nc1cc2c(cc1Br)CCC2 ZINC000193279763 552988835 /nfs/dbraw/zinc/98/88/35/552988835.db2.gz QABYAYFJTDQSRH-UHFFFAOYSA-N 1 0 396.329 2.580 20 0 GFADRO Cn1cc(Br)cc1C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000193599593 552998295 /nfs/dbraw/zinc/99/82/95/552998295.db2.gz FQYRDOOPDUAJJT-UHFFFAOYSA-N 1 0 377.286 2.577 20 0 GFADRO [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)c1cc(F)c(Cl)cc1Cl ZINC000193688569 553000376 /nfs/dbraw/zinc/00/03/76/553000376.db2.gz VWEPJUTWZGKCEP-SNVBAGLBSA-N 1 0 376.259 2.592 20 0 GFADRO C[NH+](C)C1CCN(C(=O)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000193734561 553001409 /nfs/dbraw/zinc/00/14/09/553001409.db2.gz YVSOURPVPJNVPZ-UHFFFAOYSA-N 1 0 377.794 2.850 20 0 GFADRO CCS(=O)(=O)N(C)CCC[NH2+][C@H]1CCc2ccc(Br)cc21 ZINC000193975764 553008750 /nfs/dbraw/zinc/00/87/50/553008750.db2.gz OXWXLPPHSOFGNA-HNNXBMFYSA-N 1 0 375.332 2.698 20 0 GFADRO C[C@@H](CCc1ccc(C(F)(F)F)cc1)[NH2+]C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000193996334 553009375 /nfs/dbraw/zinc/00/93/75/553009375.db2.gz UFHXSWJTRXMDBQ-DZGCQCFKSA-N 1 0 378.460 2.898 20 0 GFADRO CCN(CCC[NH+](CC)CC)C(=O)C(=O)Nc1cc(C)c(Br)cn1 ZINC000194401569 553019929 /nfs/dbraw/zinc/01/99/29/553019929.db2.gz PZWFMYZWZAYMPK-UHFFFAOYSA-N 1 0 399.333 2.671 20 0 GFADRO CC[NH+]1CCN(CCC(=O)N[C@@H](C)Cc2ccc(Br)cc2)CC1 ZINC000194670190 553027067 /nfs/dbraw/zinc/02/70/67/553027067.db2.gz USBOQYVWNYCTGU-HNNXBMFYSA-N 1 0 382.346 2.524 20 0 GFADRO O=C(NC[C@H](O)COc1cccc(Cl)c1Cl)C1CC[NH+](C2CC2)CC1 ZINC000194754064 553028835 /nfs/dbraw/zinc/02/88/35/553028835.db2.gz DVSOSAHCELTFFA-AWEZNQCLSA-N 1 0 387.307 2.724 20 0 GFADRO C[C@H](CNS(=O)(=O)N(C)Cc1c(F)cccc1Cl)[N@@H+]1CCC[C@@H](C)C1 ZINC000195585304 553051173 /nfs/dbraw/zinc/05/11/73/553051173.db2.gz OWRXORFOLKFYON-ZIAGYGMSSA-N 1 0 391.940 2.866 20 0 GFADRO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(F)cc1I ZINC000223499709 553056514 /nfs/dbraw/zinc/05/65/14/553056514.db2.gz OPBHBWOMULSNHB-SNVBAGLBSA-N 1 0 388.224 2.644 20 0 GFADRO Cc1cccc(C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1I ZINC000223543593 553056960 /nfs/dbraw/zinc/05/69/60/553056960.db2.gz UASLNGNJYVESAD-QWHCGFSZSA-N 1 0 384.261 2.956 20 0 GFADRO C[C@H]1C[C@H]([NH3+])CCN1C(=O)c1cc(Cl)ccc1I ZINC000227288758 553062919 /nfs/dbraw/zinc/06/29/19/553062919.db2.gz PQMNDPMOLVLVLT-WCBMZHEXSA-N 1 0 378.641 2.896 20 0 GFADRO CCN(CCC[NH+](CC)CC)S(=O)(=O)c1cncc(Br)c1 ZINC000230728687 553065216 /nfs/dbraw/zinc/06/52/16/553065216.db2.gz PSEYBKONIGHZFJ-UHFFFAOYSA-N 1 0 378.336 2.587 20 0 GFADRO C[C@@H]([NH2+]CCS(=O)(=O)N(C)C)c1cc2cc(Br)ccc2o1 ZINC000230988645 553066293 /nfs/dbraw/zinc/06/62/93/553066293.db2.gz XPLVKZOZOUHJNE-SNVBAGLBSA-N 1 0 375.288 2.737 20 0 GFADRO CC1(C)CCC[NH2+][C@@H]1CNS(=O)(=O)c1ccc(F)cc1Br ZINC000232882730 553067180 /nfs/dbraw/zinc/06/71/80/553067180.db2.gz QBTGCPJYKLRVPP-CYBMUJFWSA-N 1 0 379.295 2.645 20 0 GFADRO CC[C@H](C)[NH+]1CCN(C(=O)c2cc(I)ccc2O)CC1 ZINC000234027522 553067483 /nfs/dbraw/zinc/06/74/83/553067483.db2.gz HNSBRAJCTYKHIC-NSHDSACASA-N 1 0 388.249 2.553 20 0 GFADRO C[C@@H](NS(=O)(=O)c1ccc(Cl)c(Br)c1)[C@@H]1CCC[NH2+]C1 ZINC000235202683 553067920 /nfs/dbraw/zinc/06/79/20/553067920.db2.gz SYVXFDGLIZFDFE-NXEZZACHSA-N 1 0 381.723 2.769 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H]2CN(S(=O)(=O)c3ccc(Cl)c(Br)c3)C[C@@H]21 ZINC000236307085 553069076 /nfs/dbraw/zinc/06/90/76/553069076.db2.gz LBTPLVJBVBCSJM-OLUVUFQESA-N 1 0 393.734 2.850 20 0 GFADRO CC(C)(C[NH3+])C(=O)N1CCC(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000236592889 553069937 /nfs/dbraw/zinc/06/99/37/553069937.db2.gz GMPJAPOPQPKZCG-UHFFFAOYSA-N 1 0 382.302 2.611 20 0 GFADRO CC(C)C[C@H]([NH3+])C(=O)NC1CCN(Cc2ccc(Br)cc2)CC1 ZINC000236673913 553070451 /nfs/dbraw/zinc/07/04/51/553070451.db2.gz MVYMJPDINOUNTR-KRWDZBQOSA-N 1 0 382.346 2.903 20 0 GFADRO CCCN(C(=O)/C=C/c1ccc(I)o1)C1CC[NH2+]CC1 ZINC000236829554 553071846 /nfs/dbraw/zinc/07/18/46/553071846.db2.gz IYCMPXSAUKNSPW-GQCTYLIASA-N 1 0 388.249 2.888 20 0 GFADRO CCCC[C@@H]([NH3+])C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(CC)CC)c1 ZINC000236812659 553071640 /nfs/dbraw/zinc/07/16/40/553071640.db2.gz YJVFGOMVEFLVDM-CQSZACIVSA-N 1 0 375.922 2.827 20 0 GFADRO CC(C)[C@@](C)(C[NH3+])NC(=O)c1cc(F)c(F)cc1I ZINC000236833884 553072248 /nfs/dbraw/zinc/07/22/48/553072248.db2.gz SWFLNESWHABXSH-CYBMUJFWSA-N 1 0 382.192 2.673 20 0 GFADRO CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)C[C@H]1CSCC[NH2+]1 ZINC000236901973 553072762 /nfs/dbraw/zinc/07/27/62/553072762.db2.gz OMYZPOHALNRQGW-NSHDSACASA-N 1 0 390.336 2.876 20 0 GFADRO C[NH2+]CC1CCN(C(=O)[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)CC1 ZINC000237064681 553074375 /nfs/dbraw/zinc/07/43/75/553074375.db2.gz UOSQKOPCOLOPQL-CQSZACIVSA-N 1 0 384.307 2.804 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)C1([NH3+])CCCCC1 ZINC000237092035 553074415 /nfs/dbraw/zinc/07/44/15/553074415.db2.gz YBFVTELNEQTLCA-UHFFFAOYSA-N 1 0 382.302 2.816 20 0 GFADRO C[NH2+]C[C@@H]1CCCN1C(=O)[C@H](CCOC)Cc1cccc(Br)c1 ZINC000237112188 553074790 /nfs/dbraw/zinc/07/47/90/553074790.db2.gz AMKXDFJSTYHBSU-WBVHZDCISA-N 1 0 383.330 2.855 20 0 GFADRO COCC[C@H](Cc1cccc(Br)c1)C(=O)N[C@@](C)(C[NH3+])C1CC1 ZINC000237118583 553075071 /nfs/dbraw/zinc/07/50/71/553075071.db2.gz PDZHVQGVYALSIW-KDOFPFPSSA-N 1 0 383.330 2.888 20 0 GFADRO C[NH2+]C[C@@H](C)CNC(=O)c1ccc(-n2nc(C)c(Br)c2C)cc1 ZINC000237343515 553077276 /nfs/dbraw/zinc/07/72/76/553077276.db2.gz BRCBJYZOLFDQET-LLVKDONJSA-N 1 0 379.302 2.837 20 0 GFADRO C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)[C@@H]2CCC[C@@H]2[NH3+])CC1 ZINC000237426921 553077665 /nfs/dbraw/zinc/07/76/65/553077665.db2.gz AWUROUWKXNTKIL-XYPHTWIQSA-N 1 0 380.330 2.782 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)c2ccc(I)c(F)c2)C1 ZINC000237425412 553077677 /nfs/dbraw/zinc/07/76/77/553077677.db2.gz CUFPEJSFNQIPBH-ONGXEEELSA-N 1 0 376.213 2.630 20 0 GFADRO C[C@@H](CC(=O)NCCC(=O)Nc1ccc(Br)cc1)C1CC[NH2+]CC1 ZINC000237418110 553077678 /nfs/dbraw/zinc/07/76/78/553077678.db2.gz BHNNICPJQCMERZ-ZDUSSCGKSA-N 1 0 396.329 2.920 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)c1cnn(-c2ccc(Br)cc2)c1 ZINC000237452146 553077705 /nfs/dbraw/zinc/07/77/05/553077705.db2.gz WBQMBEWZELLNRF-LRDDRELGSA-N 1 0 377.286 2.977 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)/C=C/c2cc(Br)c3c(c2)OCCO3)C1 ZINC000237493870 553078134 /nfs/dbraw/zinc/07/81/34/553078134.db2.gz RIDLCCLLTQAKIW-VSYHDTTKSA-N 1 0 395.297 2.819 20 0 GFADRO C[C@H]1CN(C(=O)c2ccc(NC(=O)CSc3cccs3)cc2)CC[NH2+]1 ZINC000237555468 553078658 /nfs/dbraw/zinc/07/86/58/553078658.db2.gz LGWSMMKAMGTQDC-ZDUSSCGKSA-N 1 0 375.519 2.913 20 0 GFADRO C[C@@H](CC(=O)N(C)CC(=O)Nc1ccccc1Br)C1CC[NH2+]CC1 ZINC000237519617 553078781 /nfs/dbraw/zinc/07/87/81/553078781.db2.gz UDVAYBFMCCBDMO-ZDUSSCGKSA-N 1 0 396.329 2.872 20 0 GFADRO C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CC(=O)NCc1ccco1 ZINC000237558364 553079398 /nfs/dbraw/zinc/07/93/98/553079398.db2.gz RWLMLULWIQLOMK-LBPRGKRZSA-N 1 0 394.269 2.665 20 0 GFADRO O=C(C[C@H]1CSCC[NH2+]1)N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000237793316 553081644 /nfs/dbraw/zinc/08/16/44/553081644.db2.gz XPFYKMLYKZLALO-WFASDCNBSA-N 1 0 375.321 2.988 20 0 GFADRO O=C(C[C@@H]1CSCC[NH2+]1)N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000237793252 553081694 /nfs/dbraw/zinc/08/16/94/553081694.db2.gz XPFYKMLYKZLALO-DOMZBBRYSA-N 1 0 375.321 2.988 20 0 GFADRO O=C(NC[C@@H]1CCCC[NH2+]1)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1 ZINC000237775339 553081765 /nfs/dbraw/zinc/08/17/65/553081765.db2.gz CVPPSFTYZSSFMA-HNNXBMFYSA-N 1 0 384.929 2.685 20 0 GFADRO [NH3+]C[C@@H](NC(=O)c1nn(-c2cccc(Br)c2)c2c1CCC2)C1CC1 ZINC000237812889 553082332 /nfs/dbraw/zinc/08/23/32/553082332.db2.gz VOWWTAHCPRQGSY-OAHLLOKOSA-N 1 0 389.297 2.591 20 0 GFADRO Cc1cc(S(=O)(=O)N2CCC([NH2+]CC3CC3)CC2)ccc1Br ZINC000237868511 553083571 /nfs/dbraw/zinc/08/35/71/553083571.db2.gz CRCYRZWFNFVHKE-UHFFFAOYSA-N 1 0 387.343 2.910 20 0 GFADRO [NH3+]C[C@H]1CCCCN1C(=O)CCc1nc(-c2cc(Br)cs2)no1 ZINC000237943871 553084055 /nfs/dbraw/zinc/08/40/55/553084055.db2.gz ZXADOMLOIXAJDA-LLVKDONJSA-N 1 0 399.314 2.833 20 0 GFADRO CC[C@H](C)[N@H+](C)CCNC(=O)C[C@@H](NC(C)=O)c1ccc(Br)cc1 ZINC000245399095 553089137 /nfs/dbraw/zinc/08/91/37/553089137.db2.gz VPDWIKSWAJIEIU-SUMWQHHRSA-N 1 0 398.345 2.863 20 0 GFADRO C[C@@H](C(=O)Nc1ccc(Br)cc1)[N@@H+]1CCC[C@@H](CCC(N)=O)C1 ZINC000245392438 553089234 /nfs/dbraw/zinc/08/92/34/553089234.db2.gz AWDTXBGKNTXHNM-STQMWFEESA-N 1 0 382.302 2.754 20 0 GFADRO C[C@H](C(=O)N1CCN(c2ccc(Br)cn2)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000245202292 553089386 /nfs/dbraw/zinc/08/93/86/553089386.db2.gz QVORUOOJPZTDQD-QLFBSQMISA-N 1 0 395.345 2.754 20 0 GFADRO COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000245422974 553090220 /nfs/dbraw/zinc/09/02/20/553090220.db2.gz JCIIYSRWKMLRKJ-BMIGLBTASA-N 1 0 380.794 2.983 20 0 GFADRO CCOc1c(Br)cc(C[N@@H+]2C[C@@H](C(N)=O)CC[C@H]2C)cc1OC ZINC000245541796 553092162 /nfs/dbraw/zinc/09/21/62/553092162.db2.gz OVZLVLIWNIYQPL-YPMHNXCESA-N 1 0 385.302 2.942 20 0 GFADRO C[C@](O)(CN1CCC[C@@H](c2nccs2)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000245562295 553092947 /nfs/dbraw/zinc/09/29/47/553092947.db2.gz LJWKDGPPYPDKSW-KDOFPFPSSA-N 1 0 380.535 2.634 20 0 GFADRO C[N@@H+]1CC[C@@H](CNC(=O)C2(O)CCSCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245667925 553094756 /nfs/dbraw/zinc/09/47/56/553094756.db2.gz BVBCLCLXQJSTAK-XJKSGUPXSA-N 1 0 386.920 2.846 20 0 GFADRO CCN(Cc1ccc(Cl)c(Cl)c1)[C@H](C)C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000245785548 553096959 /nfs/dbraw/zinc/09/69/59/553096959.db2.gz MTOSRJDGQXRJRY-YPMHNXCESA-N 1 0 393.336 2.507 20 0 GFADRO CC1(C)[C@H]([NH2+]CCNC(=O)c2cccc(Br)c2)[C@@H]2CCCO[C@H]21 ZINC000245825244 553097694 /nfs/dbraw/zinc/09/76/94/553097694.db2.gz ATLDFAJOMVUPBL-ARFHVFGLSA-N 1 0 381.314 2.972 20 0 GFADRO C[C@H](C(=O)NCCCC[N@@H+]1CCC[C@H]1CO)c1ccc(Br)cc1 ZINC000245868627 553098440 /nfs/dbraw/zinc/09/84/40/553098440.db2.gz GLALZKIQWPZHIK-YOEHRIQHSA-N 1 0 383.330 2.906 20 0 GFADRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)NCCOc2cccc(Br)c2)C1 ZINC000245911185 553099149 /nfs/dbraw/zinc/09/91/49/553099149.db2.gz FVHZXVOQGMCNEP-WMLDXEAASA-N 1 0 396.329 2.954 20 0 GFADRO CC[S@](=O)[C@@H]1CCC[C@@H](NC(=O)N(CC[NH+](C)C)Cc2cccs2)C1 ZINC000245905851 553099267 /nfs/dbraw/zinc/09/92/67/553099267.db2.gz UPCTWGBVAPPAGZ-HMFAJSFMSA-N 1 0 385.599 2.901 20 0 GFADRO O=C(NC[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1)c1nc(Cl)ccc1Cl ZINC000246003156 553101011 /nfs/dbraw/zinc/10/10/11/553101011.db2.gz YLMBZNSFRLSBPB-KBPBESRZSA-N 1 0 380.275 2.754 20 0 GFADRO C[C@H]1Cc2cc(S(=O)(=O)N3CC[C@@H](C[NH+]4CCCC4)C3)cc(Cl)c2O1 ZINC000246130862 553102894 /nfs/dbraw/zinc/10/28/94/553102894.db2.gz BOFBKBRKRBWFPB-KBPBESRZSA-N 1 0 384.929 2.770 20 0 GFADRO Cc1sc(Br)cc1S(=O)(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000246143503 553103233 /nfs/dbraw/zinc/10/32/33/553103233.db2.gz BJCXJFDFOFAVOD-MWLCHTKSSA-N 1 0 381.361 2.780 20 0 GFADRO Cc1cccc(S(=O)(=O)N(C)[C@H]2CC[N@@H+](C)C[C@H]2C)c1Br ZINC000246181799 553104086 /nfs/dbraw/zinc/10/40/86/553104086.db2.gz GWTMARZIAIREEV-OLZOCXBDSA-N 1 0 375.332 2.718 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H](C(=O)NC[C@H]2CCN(c3cccc(Br)c3)C2)C1 ZINC000246221754 553104643 /nfs/dbraw/zinc/10/46/43/553104643.db2.gz GUCPJMQFXPLEAB-IIAWOOMASA-N 1 0 380.330 2.909 20 0 GFADRO OC[C@H]1c2ccccc2CC[N@H+]1C[C@@H](O)COc1ccc(Br)cc1 ZINC000246293740 553106047 /nfs/dbraw/zinc/10/60/47/553106047.db2.gz BDWRUYVVUJMSQY-APWZRJJASA-N 1 0 392.293 2.781 20 0 GFADRO COC(=O)[C@@H](C)C[N@H+](C)C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000246941589 553115859 /nfs/dbraw/zinc/11/58/59/553115859.db2.gz BCEFYHPSNNHMBG-CMPLNLGQSA-N 1 0 394.693 2.583 20 0 GFADRO C[C@@H]1CN(C(=O)[C@H]2CCCN2C(=O)c2ccc(Cl)c(Cl)c2)C[C@H](C)[NH2+]1 ZINC000247329994 553121272 /nfs/dbraw/zinc/12/12/72/553121272.db2.gz UUMOJDJQLAZSIG-BFQNTYOBSA-N 1 0 384.307 2.807 20 0 GFADRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)Cc1cc2c(cc1Br)OCCO2 ZINC000247367857 553121639 /nfs/dbraw/zinc/12/16/39/553121639.db2.gz KOTFYVWQHZKBII-SWLSCSKDSA-N 1 0 397.313 2.561 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc3c(c(Br)c2)OCO3)[C@@H](C)C1 ZINC000247459438 553121972 /nfs/dbraw/zinc/12/19/72/553121972.db2.gz QWMFEOGPUCXVGW-SMDDNHRTSA-N 1 0 383.286 2.980 20 0 GFADRO Cc1sc(=O)n(CC(=O)NC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)c1C ZINC000247456723 553122244 /nfs/dbraw/zinc/12/22/44/553122244.db2.gz QRRCUHKGQUNOSZ-RHSMWYFYSA-N 1 0 379.551 2.787 20 0 GFADRO Cc1sc(=O)n(CC(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)c1C ZINC000247456728 553122315 /nfs/dbraw/zinc/12/23/15/553122315.db2.gz QRRCUHKGQUNOSZ-WMLDXEAASA-N 1 0 379.551 2.787 20 0 GFADRO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C[C@@H]1Sc2ccc(Cl)cc2NC1=O ZINC000247550190 553123947 /nfs/dbraw/zinc/12/39/47/553123947.db2.gz ZERONSRGJCGPLL-KFNAQCHYSA-N 1 0 379.913 2.838 20 0 GFADRO C[C@@H]1CCN(S(=O)(=O)c2cccc(Br)c2)C[C@H]1n1ccnc1 ZINC000247578124 553124249 /nfs/dbraw/zinc/12/42/49/553124249.db2.gz LTOZTZVIOWLCOV-IUODEOHRSA-N 1 0 384.299 2.917 20 0 GFADRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)[C@@H]1SCCc2sccc21 ZINC000247647592 553124757 /nfs/dbraw/zinc/12/47/57/553124757.db2.gz VUWNAMYYSQFLCS-JFIYKMOQSA-N 1 0 380.579 2.963 20 0 GFADRO C[C@H](O)C[N@@H+]1CCN(CC(=O)Nc2cc(Cl)c(Cl)cc2Cl)C[C@H]1C ZINC000247870014 553126006 /nfs/dbraw/zinc/12/60/06/553126006.db2.gz XKHWKZJSYRGBPV-MNOVXSKESA-N 1 0 394.730 2.972 20 0 GFADRO C[N@@H+]1CCC[C@H]2CN(S(=O)(=O)c3ccc(F)cc3Br)CC[C@H]21 ZINC000247888542 553126436 /nfs/dbraw/zinc/12/64/36/553126436.db2.gz DSABMSFRIOZAKM-SMDDNHRTSA-N 1 0 391.306 2.693 20 0 GFADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@@H]3COc4ccc(Br)cc43)CC[C@H]21 ZINC000248146650 553127563 /nfs/dbraw/zinc/12/75/63/553127563.db2.gz ZUMRPFMGBVIQPE-DAXOMENPSA-N 1 0 379.298 2.868 20 0 GFADRO Cc1ccc(NC(=O)[C@H](C)[NH2+][C@@H]2CCCC[C@H]2C(N)=O)c(Br)c1 ZINC000248400259 553128682 /nfs/dbraw/zinc/12/86/82/553128682.db2.gz PWDKKXFYYOXDBD-OUCADQQQSA-N 1 0 382.302 2.718 20 0 GFADRO CN1CCO[C@H]([C@@H]([NH2+]CCCCCS(C)(=O)=O)c2ccc(Cl)cc2)C1 ZINC000248554084 553131342 /nfs/dbraw/zinc/13/13/42/553131342.db2.gz JUMFSZCFBYFWGU-ROUUACIJSA-N 1 0 388.961 2.516 20 0 GFADRO C[C@@H]([NH2+][C@@H](C)C(=O)N(C)[C@H]1CCS(=O)(=O)C1)c1cc2ccccc2s1 ZINC000248577645 553131352 /nfs/dbraw/zinc/13/13/52/553131352.db2.gz HTJZIGFZDVNDLD-IPYPFGDCSA-N 1 0 380.535 2.586 20 0 GFADRO C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@@H]2CCSc3ccc(Cl)cc32)C[C@H]1C ZINC000248654340 553132568 /nfs/dbraw/zinc/13/25/68/553132568.db2.gz VVNNNOXIDFQJJI-DVOMOZLQSA-N 1 0 383.945 2.973 20 0 GFADRO CCN1CC[C@H](NS(=O)(=O)N2CCC[C@@H]2C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000248722402 553133877 /nfs/dbraw/zinc/13/38/77/553133877.db2.gz OSTJJJKMGFXTAG-AFAVFJNCSA-N 1 0 389.924 2.933 20 0 GFADRO COC(=O)[C@H](C)N(C[C@@H](O)COc1ccc(Br)cc1)C1CCC1 ZINC000248708770 553134009 /nfs/dbraw/zinc/13/40/09/553134009.db2.gz IEMCFGHQOKVHBH-SWLSCSKDSA-N 1 0 386.286 2.605 20 0 GFADRO C[C@@H]1C[C@@H](O)C[C@H](C)[N@H+]1CC(=O)N(C)Cc1cc(Br)cs1 ZINC000248829793 553135567 /nfs/dbraw/zinc/13/55/67/553135567.db2.gz LFCYHVKVSZUMED-PTEHBNRSSA-N 1 0 375.332 2.703 20 0 GFADRO Cn1nc(Br)cc1C(=O)N[C@@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1 ZINC000248858085 553136306 /nfs/dbraw/zinc/13/63/06/553136306.db2.gz WRBZGIPBQCPYGD-DOMZBBRYSA-N 1 0 399.239 2.636 20 0 GFADRO Cc1cccc(NC(=O)C(=O)N[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)c1Br ZINC000249060686 553138527 /nfs/dbraw/zinc/13/85/27/553138527.db2.gz YKHGAROEWGBOGO-OCCSQVGLSA-N 1 0 396.329 2.933 20 0 GFADRO C[N@H+](C[C@@H](O)COc1ccc(C(F)(F)F)cc1)C[C@@H](O)CC(F)(F)F ZINC000249486507 553143771 /nfs/dbraw/zinc/14/37/71/553143771.db2.gz UMKGAFZXWGMMOQ-NWDGAFQWSA-N 1 0 375.309 2.690 20 0 GFADRO COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N(C)CC[C@@H]([NH3+])C(C)C ZINC000249550911 553144159 /nfs/dbraw/zinc/14/41/59/553144159.db2.gz KZPPSOGJQLQNRK-UKRRQHHQSA-N 1 0 392.949 2.748 20 0 GFADRO C[C@@H]([NH2+]CCN1CCOC[C@@H]1C)c1cc2c(cc1Br)OCCO2 ZINC000249654502 553145051 /nfs/dbraw/zinc/14/50/51/553145051.db2.gz ZCMZVVDVKFDGFB-QWHCGFSZSA-N 1 0 385.302 2.592 20 0 GFADRO C[C@H](NC(=O)CN1CCC[C@H]1C(=O)NC1CC1)c1ccc(Cl)c(Cl)c1 ZINC000249745827 553146242 /nfs/dbraw/zinc/14/62/42/553146242.db2.gz MQDGMCAPNKMWBT-ZBEGNZNMSA-N 1 0 384.307 2.914 20 0 GFADRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2S(=O)(=O)Cc2ccccc2C(F)(F)F)C1 ZINC000252657210 553150096 /nfs/dbraw/zinc/15/00/96/553150096.db2.gz MKWYVLNOTQZWFD-XJKSGUPXSA-N 1 0 376.444 2.951 20 0 GFADRO C[C@@H]1CN(C(=O)[C@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)C[C@H](C)[NH2+]1 ZINC000252656813 553150468 /nfs/dbraw/zinc/15/04/68/553150468.db2.gz WCYAIZKBDZNIQD-BFQNTYOBSA-N 1 0 384.307 2.807 20 0 GFADRO [NH3+][C@@H]1CCC[C@H]1CC(=O)NC[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000261616530 553154103 /nfs/dbraw/zinc/15/41/03/553154103.db2.gz AHRWSZSOPJVYBA-GRDNDAEWSA-N 1 0 380.330 2.909 20 0 GFADRO C[NH2+][C@H](C)Cc1noc([C@@H]2CC(=O)N(c3ccc(Br)c(C)c3)C2)n1 ZINC000261605911 553154133 /nfs/dbraw/zinc/15/41/33/553154133.db2.gz ACZZESYIOGSBDA-VXGBXAGGSA-N 1 0 393.285 2.811 20 0 GFADRO [NH3+]CCN(CCc1ccccc1)C(=O)c1[nH]nc(C2CC2)c1Br ZINC000261633282 553154555 /nfs/dbraw/zinc/15/45/55/553154555.db2.gz BFZNOODNKHXVDB-UHFFFAOYSA-N 1 0 377.286 2.693 20 0 GFADRO [NH3+][C@@H]1CN(CC(=O)Nc2ccc(Br)cc2F)C[C@H]1c1ccccc1 ZINC000261642946 553155025 /nfs/dbraw/zinc/15/50/25/553155025.db2.gz FRSXTVDRIILYNC-GOEBONIOSA-N 1 0 392.272 2.953 20 0 GFADRO O=C(NC[C@@H]1CCCN(Cc2cc(Br)ccc2F)C1)[C@@H]1CCC[NH2+]1 ZINC000261705320 553156729 /nfs/dbraw/zinc/15/67/29/553156729.db2.gz PDPLJLOFQYENJR-GUYCJALGSA-N 1 0 398.320 2.668 20 0 GFADRO O=C(NC[C@@H]1CCCN(Cc2ccc(C(F)(F)F)s2)C1)[C@@H]1CCC[NH2+]1 ZINC000261755493 553157753 /nfs/dbraw/zinc/15/77/53/553157753.db2.gz CMCDNTRFSAIDMQ-JSGCOSHPSA-N 1 0 375.460 2.847 20 0 GFADRO C[C@H](NC(=O)[C@](C)([NH3+])c1ccc(Br)cc1)C(=O)N1CCCC[C@H]1C ZINC000261750964 553157924 /nfs/dbraw/zinc/15/79/24/553157924.db2.gz MSNTYXWAGLIOAF-FHSNZYRGSA-N 1 0 396.329 2.529 20 0 GFADRO [NH3+]C1(C(=O)NCC2(c3ccc(Cl)cc3Cl)CCOCC2)CCOCC1 ZINC000261758293 553158631 /nfs/dbraw/zinc/15/86/31/553158631.db2.gz FQEGLRWKPBOYOG-UHFFFAOYSA-N 1 0 387.307 2.666 20 0 GFADRO O=C(Nc1ccc2c(c1F)CC[NH2+]C2)c1sccc1S(=O)(=O)C(F)F ZINC000261782950 553159150 /nfs/dbraw/zinc/15/91/50/553159150.db2.gz SREHZXDCQOFXAG-UHFFFAOYSA-N 1 0 390.408 2.782 20 0 GFADRO Brc1cc2c(cc1CN1CC[NH2+]C[C@@H]1c1cccnc1)OCO2 ZINC000261794790 553159340 /nfs/dbraw/zinc/15/93/40/553159340.db2.gz QJNJEMGVIFFDJC-OAHLLOKOSA-N 1 0 376.254 2.719 20 0 GFADRO Cc1cc(N2C[C@@H](c3nc(C4([NH3+])CCC4)no3)CC2=O)ccc1Br ZINC000261810146 553160068 /nfs/dbraw/zinc/16/00/68/553160068.db2.gz PUBRHKJMRQVYEK-NSHDSACASA-N 1 0 391.269 2.999 20 0 GFADRO Cc1c(C(=O)N2C[C@H](C[NH3+])C[C@@H]2C)cnn1-c1ccc(Br)cc1 ZINC000261831510 553160406 /nfs/dbraw/zinc/16/04/06/553160406.db2.gz OIMSBQKJMLKZSS-AAEUAGOBSA-N 1 0 377.286 2.753 20 0 GFADRO C[NH2+][C@H](C)Cc1noc([C@@H]2CCN(c3ccccc3Br)C2=O)n1 ZINC000261830897 553160459 /nfs/dbraw/zinc/16/04/59/553160459.db2.gz RDYMDQBACNGQHC-MNOVXSKESA-N 1 0 379.258 2.503 20 0 GFADRO CC1(C)CN(C(=O)[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)CC[C@@H]1[NH3+] ZINC000261838301 553160481 /nfs/dbraw/zinc/16/04/81/553160481.db2.gz LMRJFBMBRKQBJW-DOMZBBRYSA-N 1 0 384.307 2.932 20 0 GFADRO O=C(CC[C@H]1CC[NH2+]C1)N1CCN(C(=O)c2cc3sccc3s2)CC1 ZINC000261867436 553161780 /nfs/dbraw/zinc/16/17/80/553161780.db2.gz PVZOVVRUKSAQRJ-ZDUSSCGKSA-N 1 0 377.535 2.637 20 0 GFADRO C[C@@H]1CCN(C(=O)[C@@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)[C@H](C[NH3+])C1 ZINC000261909399 553162231 /nfs/dbraw/zinc/16/22/31/553162231.db2.gz XJLMXPLTINHINT-XBFCOCLRSA-N 1 0 384.307 2.932 20 0 GFADRO O=C(c1csc(I)c1)N1CCC2(CC[NH2+]C2)CC1 ZINC000261915882 553162731 /nfs/dbraw/zinc/16/27/31/553162731.db2.gz YELAWSOQJWEWGF-UHFFFAOYSA-N 1 0 376.263 2.568 20 0 GFADRO O=C(Nc1ccc(N2CC[NH2+]CC2)cn1)c1cc(Br)ccc1F ZINC000261931155 553162958 /nfs/dbraw/zinc/16/29/58/553162958.db2.gz SUDYMIVLYFXOHZ-UHFFFAOYSA-N 1 0 379.233 2.645 20 0 GFADRO COc1ccc(CCNC(=O)[C@@](C)([NH3+])c2ccc(Br)cc2)cc1 ZINC000261994301 553163951 /nfs/dbraw/zinc/16/39/51/553163951.db2.gz SAKCFFBDZKLWHF-SFHVURJKSA-N 1 0 377.282 2.991 20 0 GFADRO [NH3+][C@@H]1CCC[C@H]2CN(Cc3ccc(Br)cc3N3CCOCC3)C[C@@H]21 ZINC000262040523 553164899 /nfs/dbraw/zinc/16/48/99/553164899.db2.gz YGXKRAMEKSXBLI-JCGIZDLHSA-N 1 0 394.357 2.845 20 0 GFADRO O=C(CCc1ccc(Cl)cc1Cl)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000262143508 553166367 /nfs/dbraw/zinc/16/63/67/553166367.db2.gz XFXPCSLLYFFBMW-AWEZNQCLSA-N 1 0 398.256 2.878 20 0 GFADRO CN(Cc1c(F)cccc1Cl)S(=O)(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000262132908 553166520 /nfs/dbraw/zinc/16/65/20/553166520.db2.gz XAINVFCDSNVCRZ-UHFFFAOYSA-N 1 0 389.924 2.620 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)c(Cl)c2)C1 ZINC000262172541 553166895 /nfs/dbraw/zinc/16/68/95/553166895.db2.gz XQQTZSPTRSJZFS-NXEZZACHSA-N 1 0 381.723 2.850 20 0 GFADRO C[C@]1(C[NH3+])CCN(C(=O)[C@H]2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)C1 ZINC000262181426 553167095 /nfs/dbraw/zinc/16/70/95/553167095.db2.gz ZDNDRAMGDIDFAC-CRAIPNDOSA-N 1 0 384.307 2.795 20 0 GFADRO Cc1cccc(S(=O)(=O)NC[C@@H]2[NH2+]CCc3ccccc32)c1Br ZINC000262271330 553168653 /nfs/dbraw/zinc/16/86/53/553168653.db2.gz KKRQNHMWDAWWDY-HNNXBMFYSA-N 1 0 395.322 2.923 20 0 GFADRO C[C@H]1C[C@@H](C(=O)N2CCN(C(=O)c3cc4sccc4s3)CC2)CC[NH2+]1 ZINC000262384715 553169829 /nfs/dbraw/zinc/16/98/29/553169829.db2.gz OMAWIDDPTOAMDY-STQMWFEESA-N 1 0 377.535 2.635 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000262361255 553169933 /nfs/dbraw/zinc/16/99/33/553169933.db2.gz IPJGONZOMHMGCW-STQMWFEESA-N 1 0 382.302 2.543 20 0 GFADRO COCC1(C(=O)N[C@@H](C)Cc2ccc(F)c(Br)c2)CC[NH2+]CC1 ZINC000262440713 553170913 /nfs/dbraw/zinc/17/09/13/553170913.db2.gz YBGAVENCNBARTG-LBPRGKRZSA-N 1 0 387.293 2.652 20 0 GFADRO Cc1c(CSC(C)C)cccc1NC(=O)C1(S(C)(=O)=O)CC[NH2+]CC1 ZINC000262493107 553171505 /nfs/dbraw/zinc/17/15/05/553171505.db2.gz HVKQMWZYASMAHA-UHFFFAOYSA-N 1 0 384.567 2.742 20 0 GFADRO CC1(C)[C@@H]2OCCC[C@H]2[C@@]1([NH3+])C(=O)NCCc1ccc(Br)s1 ZINC000262551188 553172596 /nfs/dbraw/zinc/17/25/96/553172596.db2.gz SKRRMPXXIQZBQB-AXAPSJFSSA-N 1 0 387.343 2.702 20 0 GFADRO COc1cc(Br)ccc1C(=O)Nc1nc2c(s1)C[C@@H]([NH3+])CC2 ZINC000262566307 553172614 /nfs/dbraw/zinc/17/26/14/553172614.db2.gz WSZZWSOXNBWUCS-VIFPVBQESA-N 1 0 382.283 2.983 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2Br)C1 ZINC000262743239 553174624 /nfs/dbraw/zinc/17/46/24/553174624.db2.gz CVSWZSFFPNCLRB-NXEZZACHSA-N 1 0 381.723 2.850 20 0 GFADRO C[C@@H]1C[NH2+]CC[C@@H]1NS(=O)(=O)c1c(Cl)cc(F)cc1Br ZINC000262787466 553175501 /nfs/dbraw/zinc/17/55/01/553175501.db2.gz QSZGPTOZYHOESS-HQJQHLMTSA-N 1 0 385.686 2.518 20 0 GFADRO CO[C@H](C[NH3+])CC(=O)N1CCC(OCc2ccc(Cl)c(Cl)c2)CC1 ZINC000262801447 553176155 /nfs/dbraw/zinc/17/61/55/553176155.db2.gz QZSBCMMKSHLHAA-AWEZNQCLSA-N 1 0 375.296 2.865 20 0 GFADRO CCCN(C1CC[NH2+]CC1)S(=O)(=O)c1ccc(OC)cc1Br ZINC000262811691 553176397 /nfs/dbraw/zinc/17/63/97/553176397.db2.gz YESBAPSIVLEVSB-UHFFFAOYSA-N 1 0 391.331 2.610 20 0 GFADRO C[C@@H]1[NH2+]CCN(C(=O)c2ccc(I)cc2Cl)[C@H]1C ZINC000262793398 553176260 /nfs/dbraw/zinc/17/62/60/553176260.db2.gz NFKHFJIEYHLKBL-IUCAKERBSA-N 1 0 378.641 2.767 20 0 GFADRO C[C@H]1[NH2+]CCN(S(=O)(=O)c2c(Cl)cc(F)cc2Br)[C@@H]1C ZINC000262816678 553176919 /nfs/dbraw/zinc/17/69/19/553176919.db2.gz ZIWKMCRLHDLHNZ-HTQZYQBOSA-N 1 0 385.686 2.613 20 0 GFADRO C[C@@H](CNC(=O)c1csc(-c2ccc(Cl)s2)n1)N1CC[NH+](C)CC1 ZINC000263773644 553193501 /nfs/dbraw/zinc/19/35/01/553193501.db2.gz NKHNLOAHHMGSBC-NSHDSACASA-N 1 0 384.958 2.891 20 0 GFADRO CC(C)[N@H+](C)CC(=O)N1CCC(C(=O)Nc2cccc(Br)c2)CC1 ZINC000263843805 553194412 /nfs/dbraw/zinc/19/44/12/553194412.db2.gz XLVRNFUUYRLAKQ-UHFFFAOYSA-N 1 0 396.329 2.966 20 0 GFADRO C[C@@H]1CN(C(=O)NCc2cc(Br)ccc2OC(F)F)CC[NH2+]1 ZINC000417411637 563879805 /nfs/dbraw/zinc/87/98/05/563879805.db2.gz UBLQQWQGMLQINZ-SECBINFHSA-N 1 0 378.217 2.554 20 0 GFADRO C[NH2+]C[C@H]1CCCN(C(=O)NCc2cc(F)c(F)cc2Br)C1 ZINC000418189751 563900728 /nfs/dbraw/zinc/90/07/28/563900728.db2.gz YGJXHRYBAWYBBY-SNVBAGLBSA-N 1 0 376.245 2.868 20 0 GFADRO Cc1cc(Br)c(C[NH2+]C[C@@](C)(O)CN2CCOCC2)cc1Cl ZINC000449156649 563907565 /nfs/dbraw/zinc/90/75/65/563907565.db2.gz SXODCIVMVMCCBQ-MRXNPFEDSA-N 1 0 391.737 2.584 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]CCCOC(F)F ZINC000449305019 564179768 /nfs/dbraw/zinc/17/97/68/564179768.db2.gz DKVSSUXJBVUVLN-JTQLQIEISA-N 1 0 395.244 2.681 20 0 GFADRO COc1cc(F)c(Br)cc1S(=O)(=O)NCC1([NH3+])CCCCC1 ZINC000565244389 564272798 /nfs/dbraw/zinc/27/27/98/564272798.db2.gz FAOLJQZQOOQZBG-UHFFFAOYSA-N 1 0 395.294 2.537 20 0 GFADRO CN(C(=O)c1ccc(F)c(I)c1)[C@@H]1C[NH+]2CCC1CC2 ZINC000477247340 564370698 /nfs/dbraw/zinc/37/06/98/564370698.db2.gz IAHLWYYCOZWJJY-CQSZACIVSA-N 1 0 388.224 2.597 20 0 GFADRO C[N@@H+]1CC[C@@H](CNC(=O)c2ccc3cc(I)ccc3n2)C1 ZINC000479739972 564449281 /nfs/dbraw/zinc/44/92/81/564449281.db2.gz HCPKAQIKSAYLDJ-NSHDSACASA-N 1 0 395.244 2.521 20 0 GFADRO COCCN1CC[C@@H]([NH2+]Cc2ccc(I)cc2Cl)C1 ZINC000501418837 564978625 /nfs/dbraw/zinc/97/86/25/564978625.db2.gz DXDPEVUKRTTWJN-CYBMUJFWSA-N 1 0 394.684 2.755 20 0 GFADRO COCCN(Cc1cc(Br)cs1)C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000418598732 563220884 /nfs/dbraw/zinc/22/08/84/563220884.db2.gz YYEYCRXBVYLVDJ-STQMWFEESA-N 1 0 390.347 2.939 20 0 GFADRO [NH3+][C@H]1CCC[C@@]12CCN(C(=O)c1ccc(F)cc1I)C2 ZINC000372779445 563317176 /nfs/dbraw/zinc/31/71/76/563317176.db2.gz DXVCNIXLEJYLAU-ZFWWWQNUSA-N 1 0 388.224 2.774 20 0 GFADRO O=C1C[C@]2(CC[N@@H+](Cc3coc(-c4ccc(Br)cc4)n3)C2)CN1 ZINC000369378939 563213516 /nfs/dbraw/zinc/21/35/16/563213516.db2.gz JEXUQDIVSIQZCI-QGZVFWFLSA-N 1 0 376.254 2.816 20 0 GFADRO O=C(NCCc1c[nH]c2cccc(Br)c12)NCC[C@H]1CCC[NH2+]1 ZINC000418204651 563213547 /nfs/dbraw/zinc/21/35/47/563213547.db2.gz XVXLWHBWBKLDSG-CYBMUJFWSA-N 1 0 379.302 2.914 20 0 GFADRO COCC[NH2+]CCNC(=O)N[C@H]1c2cc(Br)ccc2CC1(C)C ZINC000418219814 563214215 /nfs/dbraw/zinc/21/42/15/563214215.db2.gz SUXLLPREXWTJRY-HNNXBMFYSA-N 1 0 384.318 2.608 20 0 GFADRO C[N@H+](C[C@@](C)(O)c1ccc(Br)cc1Cl)CC1(O)CCOCC1 ZINC000294753140 563215300 /nfs/dbraw/zinc/21/53/00/563215300.db2.gz XUNSMEDDRHVKCS-OAHLLOKOSA-N 1 0 392.721 2.783 20 0 GFADRO C[NH+](C)C1(CNC(=O)CCc2cccc(F)c2Br)CCOCC1 ZINC000294747750 563215388 /nfs/dbraw/zinc/21/53/88/563215388.db2.gz AFPIKDBHVYUAII-UHFFFAOYSA-N 1 0 387.293 2.748 20 0 GFADRO Cc1cc(C(C)(C)NC(=O)NCCCN2CC[NH2+]CC2)ccc1Br ZINC000418293075 563215507 /nfs/dbraw/zinc/21/55/07/563215507.db2.gz ZNWVNAIDOVKEEJ-UHFFFAOYSA-N 1 0 397.361 2.587 20 0 GFADRO CCC([NH3+])(CC)CNC(=O)N(CCO)Cc1ccc(Br)s1 ZINC000418445185 563217687 /nfs/dbraw/zinc/21/76/87/563217687.db2.gz XOECMCCWTWNYFT-UHFFFAOYSA-N 1 0 378.336 2.532 20 0 GFADRO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)N(CCO)Cc1cc(Br)cs1 ZINC000418402647 563217406 /nfs/dbraw/zinc/21/74/06/563217406.db2.gz BHGALKVEEKYYDL-RISCZKNCSA-N 1 0 390.347 2.532 20 0 GFADRO O=C1[C@H](N2CC[NH+](C3CCC3)CC2)CCN1c1cccc(Br)c1 ZINC000277628839 563217435 /nfs/dbraw/zinc/21/74/35/563217435.db2.gz XPFAEVJIMRTMNN-QGZVFWFLSA-N 1 0 378.314 2.725 20 0 GFADRO C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)NC[C@H]([NH3+])C2CC2)CC1 ZINC000418480979 563218427 /nfs/dbraw/zinc/21/84/27/563218427.db2.gz CGLBWFSXIUUWKZ-DYVFJYSZSA-N 1 0 395.345 2.575 20 0 GFADRO COCC[NH2+]CCNC(=O)N[C@](C)(c1ccc(Br)cc1)C(C)C ZINC000418504277 563218918 /nfs/dbraw/zinc/21/89/18/563218918.db2.gz AZBNQOZTUIEWOV-KRWDZBQOSA-N 1 0 386.334 2.856 20 0 GFADRO C[C@@H](CC[NH3+])NC(=O)N1CCN([C@@H](C)c2ccc(Br)cc2)CC1 ZINC000418522099 563219361 /nfs/dbraw/zinc/21/93/61/563219361.db2.gz JACCVLJQPVJJEB-KBPBESRZSA-N 1 0 383.334 2.575 20 0 GFADRO C[C@H](CC[NH3+])NC(=O)N[C@@H](CO)c1ccc(Br)cc1C(F)(F)F ZINC000418563609 563220100 /nfs/dbraw/zinc/22/01/00/563220100.db2.gz SXPCSJFHGQYKLW-PELKAZGASA-N 1 0 398.223 2.538 20 0 GFADRO [NH3+][C@@H]1CCC[C@H](NC(=O)N[C@@H](CO)c2ccc(Cl)cc2C(F)(F)F)C1 ZINC000418575321 563220109 /nfs/dbraw/zinc/22/01/09/563220109.db2.gz GXNHLIVXFRMCSU-SUNKGSAMSA-N 1 0 379.810 2.961 20 0 GFADRO CC(C)(COc1ncc(Cl)cc1Cl)NC(=O)NCC[C@H]1CCC[NH2+]1 ZINC000418551868 563220272 /nfs/dbraw/zinc/22/02/72/563220272.db2.gz QHQUVXSOZZPWGX-GFCCVEGCSA-N 1 0 375.300 2.987 20 0 GFADRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N1CCO[C@H](c2cccc(Br)c2)C1 ZINC000418582657 563220278 /nfs/dbraw/zinc/22/02/78/563220278.db2.gz AFJAUEUSIMMVIP-WQVCFCJDSA-N 1 0 382.302 2.530 20 0 GFADRO O=C(NCc1ccc2c(c1)C[NH2+]C2)N[C@@H](CO)c1ccc(Br)cc1 ZINC000418585364 563220726 /nfs/dbraw/zinc/22/07/26/563220726.db2.gz PJOMCUAOZBYWAL-KRWDZBQOSA-N 1 0 390.281 2.585 20 0 GFADRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N(C)[C@H]1CCOc2ccc(Br)cc21 ZINC000418587953 563220736 /nfs/dbraw/zinc/22/07/36/563220736.db2.gz HIMKAEDLHBEPBN-UGFHNGPFSA-N 1 0 382.302 2.912 20 0 GFADRO Cc1ccc(CN(C[C@H]2CCCO2)C(=O)N[C@@H](C)C[NH3+])c(Br)c1 ZINC000418613928 563221320 /nfs/dbraw/zinc/22/13/20/563221320.db2.gz JAVGQQMFHQRDMM-DZGCQCFKSA-N 1 0 384.318 2.795 20 0 GFADRO COCC1(CNC(=O)N(C)Cc2ccc(Br)cc2C)CC[NH2+]CC1 ZINC000418641668 563221342 /nfs/dbraw/zinc/22/13/42/563221342.db2.gz QIGBMQGLNZHQDW-UHFFFAOYSA-N 1 0 398.345 2.915 20 0 GFADRO COCC1(CNC(=O)N(C)Cc2cc(Br)cs2)CC[NH2+]CC1 ZINC000418637648 563221685 /nfs/dbraw/zinc/22/16/85/563221685.db2.gz JYIRSSJWICVADZ-UHFFFAOYSA-N 1 0 390.347 2.668 20 0 GFADRO Fc1c(Br)cccc1CNc1cnn(CCN2CCOCC2)c1 ZINC000294920800 563221680 /nfs/dbraw/zinc/22/16/80/563221680.db2.gz BKPBPKLPNZDYHJ-UHFFFAOYSA-N 1 0 383.265 2.729 20 0 GFADRO O[C@H](COCc1ccccc1Cl)C[N@@H+]1CCC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000277706157 563222000 /nfs/dbraw/zinc/22/20/00/563222000.db2.gz IARKWWIATMTFFF-NOLJZWGESA-N 1 0 381.822 2.853 20 0 GFADRO CC[C@H]([NH3+])CNC(=O)N(Cc1cccc(Br)c1)C1CCOCC1 ZINC000418731230 563223329 /nfs/dbraw/zinc/22/33/29/563223329.db2.gz POSRHXPGCCSBOA-HNNXBMFYSA-N 1 0 384.318 2.877 20 0 GFADRO CSC1(CNC(=O)NC2CC[NH+](Cc3cccs3)CC2)CCOCC1 ZINC000369754169 563224354 /nfs/dbraw/zinc/22/43/54/563224354.db2.gz VDWLHALOKPSULP-UHFFFAOYSA-N 1 0 383.583 2.924 20 0 GFADRO CC(C)(COc1ncc(Cl)cc1Cl)NC(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000418763996 563225060 /nfs/dbraw/zinc/22/50/60/563225060.db2.gz KJIQXBCLJGKATI-ZYHUDNBSSA-N 1 0 375.300 2.972 20 0 GFADRO [NH3+]C[C@H]1CCCN1C(=O)C(=O)N[C@@H](c1cccs1)c1ccc(Cl)cc1 ZINC000418771985 563225115 /nfs/dbraw/zinc/22/51/15/563225115.db2.gz YSJMLBDZVSWSSN-GDBMZVCRSA-N 1 0 377.897 2.557 20 0 GFADRO CCN(Cc1ccccc1Br)C(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000418763399 563225258 /nfs/dbraw/zinc/22/52/58/563225258.db2.gz NFJZIIQEUUUNCP-ZDUSSCGKSA-N 1 0 376.245 2.978 20 0 GFADRO CCN(CCOc1ccc(Br)cc1)C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000418788611 563225830 /nfs/dbraw/zinc/22/58/30/563225830.db2.gz KXNFOARLCBOAFX-UKRRQHHQSA-N 1 0 384.318 2.987 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)N[C@@H]2C[C@H]2c2ccc(Cl)cc2Cl)C1 ZINC000418816389 563226404 /nfs/dbraw/zinc/22/64/04/563226404.db2.gz KZVQTVAEVUJJTI-PSHZPRKYSA-N 1 0 384.307 2.551 20 0 GFADRO COc1cc(Br)c(C(=O)N(C)[C@H]2CC[N@H+](C)C[C@@H]2C)cc1OC ZINC000295039428 563226942 /nfs/dbraw/zinc/22/69/42/563226942.db2.gz RZOVLPJSHKPTRL-FZMZJTMJSA-N 1 0 385.302 2.879 20 0 GFADRO C[N@H+](CC1=Cc2cc(Br)ccc2OC1)[C@@H]1CCN2CCO[C@H]1C2 ZINC000295056330 563227383 /nfs/dbraw/zinc/22/73/83/563227383.db2.gz GDBGVRQNLSJXOE-AEFFLSMTSA-N 1 0 379.298 2.630 20 0 GFADRO C[C@H](NC(=O)C(=O)N[C@@H](C[NH3+])C1CCCC1)c1cc(F)c(Cl)cc1Cl ZINC000418851337 563227722 /nfs/dbraw/zinc/22/77/22/563227722.db2.gz PJKOVMATGIHNEZ-VFZGTOFNSA-N 1 0 390.286 2.943 20 0 GFADRO C[NH2+]CCCNC(=O)C(=O)NC[C@@H](Cc1ccc(Cl)cc1Cl)C(C)C ZINC000418859685 563228896 /nfs/dbraw/zinc/22/88/96/563228896.db2.gz YRBVRUYULIXLJD-CQSZACIVSA-N 1 0 388.339 2.650 20 0 GFADRO O[C@H](C[NH2+]Cc1ncc(I)s1)Cc1cccc(F)c1 ZINC000295123907 563230402 /nfs/dbraw/zinc/23/04/02/563230402.db2.gz NQECOGAXHRHVDH-NSHDSACASA-N 1 0 392.237 2.580 20 0 GFADRO C[C@H]([NH2+]C[C@H]1CCC[C@]12NC(=O)N(C)C2=O)c1ccccc1Br ZINC000370024365 563230984 /nfs/dbraw/zinc/23/09/84/563230984.db2.gz CGUXXUOKTPMWEF-JKDFXYPNSA-N 1 0 380.286 2.820 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)C[N@H+]1CC[C@@H](Cc2cnn(C)c2)C1 ZINC000370010697 563231286 /nfs/dbraw/zinc/23/12/86/563231286.db2.gz QBDRDQXGQQLZCW-AWEZNQCLSA-N 1 0 391.313 2.994 20 0 GFADRO C[C@@H](NC(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1ccc(Cl)cc1Cl ZINC000418959475 563231947 /nfs/dbraw/zinc/23/19/47/563231947.db2.gz ZZVASPJKQZTGDS-OWTLIXCDSA-N 1 0 384.307 2.675 20 0 GFADRO C[C@@H](Cn1cc(Br)cn1)[NH2+][C@H]1CC[C@@H](C(=O)N2CCCCC2)C1 ZINC000370115039 563233985 /nfs/dbraw/zinc/23/39/85/563233985.db2.gz VTBOSRRMMVXOEM-LZWOXQAQSA-N 1 0 383.334 2.805 20 0 GFADRO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N[C@H]1CCc2c1ccc(Cl)c2Cl ZINC000419101904 563233966 /nfs/dbraw/zinc/23/39/66/563233966.db2.gz QUDPFFNBJYKNIV-CABCVRRESA-N 1 0 386.323 2.929 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)c2c(Br)cnn2C)C[N@@H+]1Cc1ccccc1 ZINC000295196371 563234414 /nfs/dbraw/zinc/23/44/14/563234414.db2.gz VMWPIZOVZOSKNZ-OCCSQVGLSA-N 1 0 377.286 2.575 20 0 GFADRO COC[C@@H](NC(=O)C1CC[NH+](Cc2ccc(Cl)s2)CC1)[C@H]1CCCO1 ZINC000370142141 563234542 /nfs/dbraw/zinc/23/45/42/563234542.db2.gz WYNOSUPOERRREK-HZPDHXFCSA-N 1 0 386.945 2.924 20 0 GFADRO COc1cc(Br)c(C(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)cc1OC ZINC000295211753 563235411 /nfs/dbraw/zinc/23/54/11/563235411.db2.gz AATMZBLCGDEOHW-QGZVFWFLSA-N 1 0 383.286 2.634 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]C[C@@H]1CCCCO1 ZINC000295212061 563235775 /nfs/dbraw/zinc/23/57/75/563235775.db2.gz ARAHYCJFCALBFZ-WFASDCNBSA-N 1 0 385.302 2.621 20 0 GFADRO C[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000419273774 563236373 /nfs/dbraw/zinc/23/63/73/563236373.db2.gz AVBWRXSPFJOTIR-CHWSQXEVSA-N 1 0 386.323 2.547 20 0 GFADRO Cc1cnccc1C[NH2+]C[C@H](O)COc1ccc(I)cc1 ZINC000295225682 563236738 /nfs/dbraw/zinc/23/67/38/563236738.db2.gz RKEJRTKBLVUZHS-HNNXBMFYSA-N 1 0 398.244 2.524 20 0 GFADRO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1Cc1coc(-c2ccc(Br)cc2)n1 ZINC000419328875 563237199 /nfs/dbraw/zinc/23/71/99/563237199.db2.gz OZYAZTVSXNOWRR-UONOGXRCSA-N 1 0 394.313 2.991 20 0 GFADRO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1CC(=O)Nc1c(Cl)cc(Cl)cc1Cl ZINC000419339660 563237922 /nfs/dbraw/zinc/23/79/22/563237922.db2.gz MIVHNXYMJUMIPG-QWRGUYRKSA-N 1 0 394.730 2.972 20 0 GFADRO C[C@H](NC(=O)CN1C[C@H](C)[N@H+](CCO)C[C@H]1C)c1ccc(Cl)c(Cl)c1 ZINC000419335315 563238103 /nfs/dbraw/zinc/23/81/03/563238103.db2.gz VZXIMKUUYJZOOM-MJBXVCDLSA-N 1 0 388.339 2.558 20 0 GFADRO CCC[C@@](C)(O)C[NH2+]Cc1cc(Br)ccc1O[C@H](C)C(=O)NC ZINC000295245266 563238265 /nfs/dbraw/zinc/23/82/65/563238265.db2.gz TVGQDHBGOHKPFW-SJKOYZFVSA-N 1 0 387.318 2.603 20 0 GFADRO Cc1cnn(CC[N@@H+]2CCC[C@H](C(=O)Nc3ccc(Br)cn3)C2)c1 ZINC000370259643 563238746 /nfs/dbraw/zinc/23/87/46/563238746.db2.gz DHCIJBUIYZWVKL-AWEZNQCLSA-N 1 0 392.301 2.700 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)NC[C@@H](C)c1c(Cl)cccc1Cl ZINC000419517940 563241005 /nfs/dbraw/zinc/24/10/05/563241005.db2.gz MZDBOGTVWITVNF-LALPHHSUSA-N 1 0 386.323 2.941 20 0 GFADRO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)NC/C=C/c1ccc(Br)cc1 ZINC000419519061 563241216 /nfs/dbraw/zinc/24/12/16/563241216.db2.gz FLWOHJUDPPKRMG-LRPXVYOUSA-N 1 0 396.329 2.559 20 0 GFADRO Cc1c(C(=O)NCC2=CC[N@H+](C)CC2)cnn1-c1cccc(Br)c1 ZINC000370368472 563241542 /nfs/dbraw/zinc/24/15/42/563241542.db2.gz UJRAPBATTFCUFW-UHFFFAOYSA-N 1 0 389.297 2.935 20 0 GFADRO C[C@@H](CNC(=O)C(=O)N[C@@H](C[NH3+])C1CCCC1)c1c(Cl)cccc1Cl ZINC000419522974 563241744 /nfs/dbraw/zinc/24/17/44/563241744.db2.gz VLCRAZVBDIGMFS-NHYWBVRUSA-N 1 0 386.323 2.847 20 0 GFADRO CC[NH+](CC)[C@@H](CNC(=O)Cc1cc[nH]c(=O)c1Br)c1ccco1 ZINC000278125152 563241758 /nfs/dbraw/zinc/24/17/58/563241758.db2.gz MDFVVXWTEFFCRB-ZDUSSCGKSA-N 1 0 396.285 2.885 20 0 GFADRO C[C@@H](Oc1ccc(Br)cc1)C(=O)N1CCC[N@H+](CC(C)(C)O)CC1 ZINC000370412200 563243506 /nfs/dbraw/zinc/24/35/06/563243506.db2.gz IARCJMKPMMAENN-CQSZACIVSA-N 1 0 399.329 2.522 20 0 GFADRO C[C@@H](C(=O)Nc1ccccc1Br)N1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000370414387 563243599 /nfs/dbraw/zinc/24/35/99/563243599.db2.gz KDICEBIIKQKZHI-UONOGXRCSA-N 1 0 398.370 2.899 20 0 GFADRO C[NH2+]C1CCN(C(=O)C(=O)NCC(C)(C)c2c(Cl)cccc2Cl)CC1 ZINC000419697377 563246632 /nfs/dbraw/zinc/24/66/32/563246632.db2.gz QLRNAKWBYMLGNQ-UHFFFAOYSA-N 1 0 386.323 2.598 20 0 GFADRO Cc1c2cc(Cl)ccc2sc1CNC(=O)C(=O)NCCC[NH2+]C1CC1 ZINC000419711325 563247405 /nfs/dbraw/zinc/24/74/05/563247405.db2.gz OYNCZNUMHDQDDX-UHFFFAOYSA-N 1 0 379.913 2.738 20 0 GFADRO CCC[C@H](O)[C@@H](CO)[NH2+]Cc1cc(Br)cc(C)c1OC(F)F ZINC000419801311 563250776 /nfs/dbraw/zinc/25/07/76/563250776.db2.gz AMAKVJZVKZWCNO-OLZOCXBDSA-N 1 0 382.245 2.970 20 0 GFADRO COc1cccc([C@@H]2C[C@H]2C[NH2+]Cc2ccc(S(N)(=O)=O)c(Cl)c2)c1 ZINC000419800858 563250971 /nfs/dbraw/zinc/25/09/71/563250971.db2.gz APNZSVHXPWBWJR-HOCLYGCPSA-N 1 0 380.897 2.889 20 0 GFADRO [NH3+][C@H]1CCC[C@@H](NC(=O)C(=O)N(Cc2ccc(Cl)c(Cl)c2)C2CC2)C1 ZINC000419900772 563252493 /nfs/dbraw/zinc/25/24/93/563252493.db2.gz SYNULQWLEAITAE-QWHCGFSZSA-N 1 0 384.307 2.871 20 0 GFADRO CC[NH2+]CCNC(=O)C(=O)N1CCC(=Cc2cc(Cl)ccc2Cl)CC1 ZINC000419873013 563252687 /nfs/dbraw/zinc/25/26/87/563252687.db2.gz LXZKDZJAPPNFNZ-UHFFFAOYSA-N 1 0 384.307 2.725 20 0 GFADRO CC(C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000419862392 563252696 /nfs/dbraw/zinc/25/26/96/563252696.db2.gz QMLXPKBJYXHYIK-CQSZACIVSA-N 1 0 386.323 2.846 20 0 GFADRO Cn1ncc2c1CCC[C@H]2[NH2+][C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000278401599 563253721 /nfs/dbraw/zinc/25/37/21/563253721.db2.gz GRDBAKGUZMDOMB-CVEARBPZSA-N 1 0 389.297 2.955 20 0 GFADRO CC(C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000419998426 563255913 /nfs/dbraw/zinc/25/59/13/563255913.db2.gz LNYHHBUOUUXRHT-CQSZACIVSA-N 1 0 386.323 2.989 20 0 GFADRO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N1CC=C(c2ccc(Cl)c(Cl)c2)CC1 ZINC000420008902 563256069 /nfs/dbraw/zinc/25/60/69/563256069.db2.gz DRTLJJKUAJYILS-INIZCTEOSA-N 1 0 384.307 2.709 20 0 GFADRO COCC[NH+]1CCC(NC(=O)N[C@@H](C)c2nc(C(F)(F)F)cs2)CC1 ZINC000278455771 563256481 /nfs/dbraw/zinc/25/64/81/563256481.db2.gz OARHDXOHMUABPW-JTQLQIEISA-N 1 0 380.436 2.633 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2S(=O)(=O)c1cccc(Cl)c1Cl ZINC000370848318 563258373 /nfs/dbraw/zinc/25/83/73/563258373.db2.gz YMJKKMPSTFHQBR-BNOWGMLFSA-N 1 0 393.336 2.866 20 0 GFADRO Cn1cc([C@@H]2[C@H](CNC(=O)c3cc(Cl)c(Cl)n3C)CCC[N@@H+]2C)cn1 ZINC000370919855 563259861 /nfs/dbraw/zinc/25/98/61/563259861.db2.gz YIEAYKOLNDTSJX-NHYWBVRUSA-N 1 0 384.311 2.878 20 0 GFADRO Cc1ncc(C[N@@H+]2CC[C@@H](NC(=O)CSc3ccncc3)[C@@H](C)C2)s1 ZINC000370947719 563260582 /nfs/dbraw/zinc/26/05/82/563260582.db2.gz NSLIYJACTNVEER-SUMWQHHRSA-N 1 0 376.551 2.965 20 0 GFADRO Ic1cccc2ncnc(N3CC[C@H]4C[NH2+]C[C@H]4CC3)c12 ZINC000420268782 563261335 /nfs/dbraw/zinc/26/13/35/563261335.db2.gz ZLESNEXPJACPJO-TXEJJXNPSA-N 1 0 394.260 2.670 20 0 GFADRO COCCOc1c(Cl)cc(S(=O)(=O)N[C@H](C[NH3+])C(C)(C)C)cc1Cl ZINC000420449167 563263527 /nfs/dbraw/zinc/26/35/27/563263527.db2.gz MTJXTWOWTAKNCC-CYBMUJFWSA-N 1 0 399.340 2.670 20 0 GFADRO Cn1ccnc1N1CCN(C(=O)CCc2cccc(F)c2Br)CC1 ZINC000295817539 563263941 /nfs/dbraw/zinc/26/39/41/563263941.db2.gz LNVDQFYFJWXBJF-UHFFFAOYSA-N 1 0 395.276 2.603 20 0 GFADRO Cc1cc(C[NH2+]C[C@@H]2CCC[C@@]23NC(=O)N(C)C3=O)ccc1Br ZINC000371085978 563264518 /nfs/dbraw/zinc/26/45/18/563264518.db2.gz JUHNGWCMGSKTGZ-SUMWQHHRSA-N 1 0 380.286 2.568 20 0 GFADRO Cc1cc(Br)cc(S(=O)(=O)N2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000420463035 563264491 /nfs/dbraw/zinc/26/44/91/563264491.db2.gz NRAPYLPOVHVRMU-CJNGLKHVSA-N 1 0 387.343 2.910 20 0 GFADRO [NH3+]C1(CNS(=O)(=O)c2sccc2Cl)CCN(Cc2ccccc2)CC1 ZINC000420473910 563265135 /nfs/dbraw/zinc/26/51/35/563265135.db2.gz XBJRZCIGRKMPIV-UHFFFAOYSA-N 1 0 399.969 2.673 20 0 GFADRO Cc1cc(Br)c(CN2CCC[C@]3(C2)NC(=O)NC3=O)cc1Cl ZINC000295928237 563268605 /nfs/dbraw/zinc/26/86/05/563268605.db2.gz AKTOOLLGRIEHCX-OAHLLOKOSA-N 1 0 386.677 2.585 20 0 GFADRO COC[C@H]([NH2+][C@H](C)C(=O)Nc1ccc(C)cc1Br)[C@@H]1CCCO1 ZINC000278769851 563270058 /nfs/dbraw/zinc/27/00/58/563270058.db2.gz NPWVLTFESMWQKD-KCXAZCMYSA-N 1 0 385.302 2.868 20 0 GFADRO C[NH+](C)CCC1CCN(S(=O)(=O)c2cc(F)ccc2OC(F)F)CC1 ZINC000420664567 563271145 /nfs/dbraw/zinc/27/11/45/563271145.db2.gz AIIFBOQYGQPQOU-UHFFFAOYSA-N 1 0 380.432 2.780 20 0 GFADRO CN(C)C(=O)c1ccc(C[NH2+][C@@H]2CCN(c3cccc(Br)c3)C2)[nH]1 ZINC000278847914 563273649 /nfs/dbraw/zinc/27/36/49/563273649.db2.gz WTUGEVLCEXJTOK-OAHLLOKOSA-N 1 0 391.313 2.848 20 0 GFADRO COCC1(C[NH2+]Cc2ccc(I)cc2)CCOCC1 ZINC000296125254 563275918 /nfs/dbraw/zinc/27/59/18/563275918.db2.gz TZSYOBNAFKKOAK-UHFFFAOYSA-N 1 0 375.250 2.824 20 0 GFADRO CN(CCc1ccc(Br)cc1)C(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000278916723 563275936 /nfs/dbraw/zinc/27/59/36/563275936.db2.gz CNNCLAMTEGAMOF-CYBMUJFWSA-N 1 0 377.286 2.564 20 0 GFADRO C[C@@H]1CN(C(=O)c2ccc(Br)cc2F)CCN1C1CC[NH+](C)CC1 ZINC000371465738 563278501 /nfs/dbraw/zinc/27/85/01/563278501.db2.gz HMIBZEBLFFTULZ-CYBMUJFWSA-N 1 0 398.320 2.829 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1cc(F)ccc1I ZINC000371483208 563279145 /nfs/dbraw/zinc/27/91/45/563279145.db2.gz VBJIQELTUBAVNZ-NEPJUHHUSA-N 1 0 388.224 2.787 20 0 GFADRO O=C(COc1ccc(Br)cc1F)NCC1CC[NH+](C2CC2)CC1 ZINC000279003235 563279702 /nfs/dbraw/zinc/27/97/02/563279702.db2.gz GSAAOXVDYMDPIN-UHFFFAOYSA-N 1 0 385.277 2.958 20 0 GFADRO Cc1ccc(I)c(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000371509201 563280106 /nfs/dbraw/zinc/28/01/06/563280106.db2.gz DDJUPFJPSRJKLE-OLZOCXBDSA-N 1 0 384.261 2.956 20 0 GFADRO CC(=O)Nc1cc(F)c(S(=O)(=O)NC2CCC([NH+](C)C)CC2)cc1Cl ZINC000420742407 563281718 /nfs/dbraw/zinc/28/17/18/563281718.db2.gz IVCMILOVKQIXQB-UHFFFAOYSA-N 1 0 391.896 2.589 20 0 GFADRO Cc1ccc(S(=O)(=O)NC2CCC([NH+](C)C)CC2)c(Br)c1 ZINC000420744208 563282437 /nfs/dbraw/zinc/28/24/37/563282437.db2.gz KQBSKJMVLXBNPC-UHFFFAOYSA-N 1 0 375.332 2.909 20 0 GFADRO CCOC(=O)c1cc(Cl)cc(S(=O)(=O)NC2CCC([NH+](C)C)CC2)c1 ZINC000420748394 563283075 /nfs/dbraw/zinc/28/30/75/563283075.db2.gz PWPWPMMKRHMMSQ-UHFFFAOYSA-N 1 0 388.917 2.668 20 0 GFADRO CCOc1cc(Br)ccc1NC(=O)c1cc([C@@H]2CC[NH2+]C2)[nH]n1 ZINC000279112541 563284663 /nfs/dbraw/zinc/28/46/63/563284663.db2.gz YQBPYUCOVKUGSC-SNVBAGLBSA-N 1 0 379.258 2.900 20 0 GFADRO CN1C(=O)C[C@H](C(=O)NC[C@H](c2cccs2)[NH+](C)C)[C@H]1c1cccs1 ZINC000371706049 563285353 /nfs/dbraw/zinc/28/53/53/563285353.db2.gz IACOPENCRCAGGD-AHIWAGSCSA-N 1 0 377.535 2.748 20 0 GFADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+]CCc1cccnc1 ZINC000296398054 563285864 /nfs/dbraw/zinc/28/58/64/563285864.db2.gz LKTRZRSLEAYXKF-CYBMUJFWSA-N 1 0 392.297 2.690 20 0 GFADRO C[C@H]([NH2+]C[C@]1(O)CCS(=O)(=O)C1)c1ccc(SCC(F)(F)F)cc1 ZINC000296450568 563287769 /nfs/dbraw/zinc/28/77/69/563287769.db2.gz MSBCDPSTJXBSHN-SMDDNHRTSA-N 1 0 383.457 2.541 20 0 GFADRO COc1cc(/C=C/C(=O)N2CC[C@@H]3CC[N@H+](C)[C@@H]3C2)cc(Br)c1O ZINC000371834850 563288910 /nfs/dbraw/zinc/28/89/10/563288910.db2.gz NSMOPTVXOPCUQX-MXKYZYEVSA-N 1 0 395.297 2.729 20 0 GFADRO CCC[N@@H+](CC(=O)Nc1cc(Cl)ccc1Cl)C[C@@H](O)COCCOC ZINC000296501969 563290106 /nfs/dbraw/zinc/29/01/06/563290106.db2.gz LPVZKYAZOHTSQH-CQSZACIVSA-N 1 0 393.311 2.668 20 0 GFADRO CNC(=O)[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000420979430 563291688 /nfs/dbraw/zinc/29/16/88/563291688.db2.gz STFUZZLVQFHIHB-NXEZZACHSA-N 1 0 377.794 2.754 20 0 GFADRO C[N@H+](CCn1cc(Br)cn1)Cc1cccc(CN2CCOCC2)c1 ZINC000420961756 563292284 /nfs/dbraw/zinc/29/22/84/563292284.db2.gz JKNUJPHTCJXJHA-UHFFFAOYSA-N 1 0 393.329 2.610 20 0 GFADRO CC[NH+]1CCC(N2CCCN(Cc3ncc(Br)s3)CC2)CC1 ZINC000420986030 563293291 /nfs/dbraw/zinc/29/32/91/563293291.db2.gz XHLSBANFUPSRFL-UHFFFAOYSA-N 1 0 387.391 2.898 20 0 GFADRO CN(Cc1noc(Cc2ccc(Br)cc2)n1)C[C@@H]1CCC[N@@H+]1C ZINC000420999844 563293456 /nfs/dbraw/zinc/29/34/56/563293456.db2.gz JUUFZCKGVBUKTM-HNNXBMFYSA-N 1 0 379.302 2.949 20 0 GFADRO OCC[C@@H]1CCC[N@H+](C[C@H](O)COc2cc(F)cc(Br)c2)CC1 ZINC000421021978 563293630 /nfs/dbraw/zinc/29/36/30/563293630.db2.gz UCROOFULRNEILT-CJNGLKHVSA-N 1 0 390.293 2.812 20 0 GFADRO COC1([C@H](C)[NH2+]CC(=O)Nc2ccc(C)cc2Br)CCOCC1 ZINC000421035285 563294435 /nfs/dbraw/zinc/29/44/35/563294435.db2.gz OVAKBVBIYDCCQA-ZDUSSCGKSA-N 1 0 385.302 2.870 20 0 GFADRO C[C@H]1CN(CC(=O)N(C)Cc2ccccc2Br)CC[N@@H+](C2CC2)C1 ZINC000296720662 563298947 /nfs/dbraw/zinc/29/89/47/563298947.db2.gz NARDVIGQHUJLHP-HNNXBMFYSA-N 1 0 394.357 2.824 20 0 GFADRO CC(C)(C(=O)NCC[NH+]1CCC(O)CC1)c1csc(-c2cccs2)n1 ZINC000296832933 563303649 /nfs/dbraw/zinc/30/36/49/563303649.db2.gz GOFSXYFJDYARAI-UHFFFAOYSA-N 1 0 379.551 2.722 20 0 GFADRO O=C(COc1cc(Cl)c(Cl)cc1Cl)NCC[NH+]1CCC(O)CC1 ZINC000296850182 563304738 /nfs/dbraw/zinc/30/47/38/563304738.db2.gz HKTJXSGQKDLMNY-UHFFFAOYSA-N 1 0 381.687 2.599 20 0 GFADRO Cc1cc(C(=O)N[C@H]2CCC[NH2+]CC2)nn1-c1ccc(Br)cc1 ZINC000372420614 563305403 /nfs/dbraw/zinc/30/54/03/563305403.db2.gz HWHIOPWKPNBNDP-AWEZNQCLSA-N 1 0 377.286 2.815 20 0 GFADRO O=C(c1ccc(I)cc1)N1CCCC2(CC[NH2+]CC2)C1 ZINC000372426906 563306077 /nfs/dbraw/zinc/30/60/77/563306077.db2.gz OGOUSBCBBOSFHV-UHFFFAOYSA-N 1 0 384.261 2.897 20 0 GFADRO COC1([C@H](C)[NH2+]Cc2cccc(I)c2)CCOCC1 ZINC000421406743 563309483 /nfs/dbraw/zinc/30/94/83/563309483.db2.gz URVAFUVGBMADEX-LBPRGKRZSA-N 1 0 375.250 2.965 20 0 GFADRO CS(=O)(=O)Nc1c[nH]nc1[C@@H]1CCCN(Cc2cc(F)ccc2Cl)C1 ZINC000372592233 563311543 /nfs/dbraw/zinc/31/15/43/563311543.db2.gz ISYBSGILMKHPRI-LLVKDONJSA-N 1 0 386.880 2.953 20 0 GFADRO CC(=O)N1CCC[C@H](C[NH2+]Cc2cnc3c(C)cc(Br)cn23)C1 ZINC000279826547 563311837 /nfs/dbraw/zinc/31/18/37/563311837.db2.gz PWLULOASIDNEKM-CQSZACIVSA-N 1 0 379.302 2.753 20 0 GFADRO C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1)c1ccc(Br)cn1 ZINC000279917817 563314655 /nfs/dbraw/zinc/31/46/55/563314655.db2.gz HEQALEQKGYIHJS-WBMJQRKESA-N 1 0 382.302 2.665 20 0 GFADRO COc1cc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc(OC)c1Br ZINC000297073270 563314925 /nfs/dbraw/zinc/31/49/25/563314925.db2.gz QCKQKYLGKJHZCF-YHWZYXNKSA-N 1 0 383.286 2.821 20 0 GFADRO COc1cc(Cl)c(S(=O)(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)cc1OC ZINC000279943260 563315612 /nfs/dbraw/zinc/31/56/12/563315612.db2.gz XIFCQAAEKMJIAH-GFCCVEGCSA-N 1 0 390.933 2.708 20 0 GFADRO O=C(CCSc1ccccc1Br)NCC[NH+]1CCC(O)CC1 ZINC000297091576 563315644 /nfs/dbraw/zinc/31/56/44/563315644.db2.gz WQYFUYXKAHFUBD-UHFFFAOYSA-N 1 0 387.343 2.504 20 0 GFADRO O=C(NC1CC[NH+](C2CCC2)CC1)c1cc2c(c(Br)c1)OCO2 ZINC000297115121 563316109 /nfs/dbraw/zinc/31/61/09/563316109.db2.gz JLFOGBOPDSQWAJ-UHFFFAOYSA-N 1 0 381.270 2.925 20 0 GFADRO CC[C@H](C)NC(=O)CC[NH2+][C@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000279956977 563316247 /nfs/dbraw/zinc/31/62/47/563316247.db2.gz CBACITQABHGQQE-VHSXEESVSA-N 1 0 396.340 2.596 20 0 GFADRO C[C@@H](NC(=O)c1ccnc(OCC[NH+](C)C)c1)c1ccc(Br)cn1 ZINC000280018030 563319172 /nfs/dbraw/zinc/31/91/72/563319172.db2.gz NPFOGOBPZNKOFZ-GFCCVEGCSA-N 1 0 393.285 2.671 20 0 GFADRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)c1cn(Cc2ccc(Cl)cc2Cl)nn1 ZINC000421708752 563319889 /nfs/dbraw/zinc/31/98/89/563319889.db2.gz ATFARVOEQZNKQK-AWEZNQCLSA-N 1 0 382.295 2.799 20 0 GFADRO C[C@H](N[C@H]1C[N@@H+](C2CC2)C[C@H]1C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000280044153 563320617 /nfs/dbraw/zinc/32/06/17/563320617.db2.gz JCUVJLSLXILUAB-FTGAXOIBSA-N 1 0 392.352 2.774 20 0 GFADRO C[C@@H]([NH2+]CCCn1cccn1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000280060454 563321085 /nfs/dbraw/zinc/32/10/85/563321085.db2.gz KIHYNGDLKYPUPT-SNVBAGLBSA-N 1 0 377.297 2.578 20 0 GFADRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)c2ccc(S(C)(=O)=O)s2)C1 ZINC000421767662 563321294 /nfs/dbraw/zinc/32/12/94/563321294.db2.gz BKJYLSSGVNOAHH-GJZGRUSLSA-N 1 0 384.567 2.878 20 0 GFADRO CCCC[NH+]1CCC(NC(=O)Nc2nc3cc(Br)ccn3n2)CC1 ZINC000297281956 563322366 /nfs/dbraw/zinc/32/23/66/563322366.db2.gz FZVBHORIGCJGTB-UHFFFAOYSA-N 1 0 395.305 2.878 20 0 GFADRO C[NH+](C)CCn1nccc1NC(=O)NCCc1cccc(Br)c1 ZINC000297358237 563324077 /nfs/dbraw/zinc/32/40/77/563324077.db2.gz HGYXRHKLELAPQU-UHFFFAOYSA-N 1 0 380.290 2.571 20 0 GFADRO COc1ccc(S(=O)(=O)N2CCC[C@@H]([NH+](C)C)CC2)cc1Br ZINC000372992300 563324902 /nfs/dbraw/zinc/32/49/02/563324902.db2.gz WGDLLWGCTHJSIJ-GFCCVEGCSA-N 1 0 391.331 2.563 20 0 GFADRO C[C@H](CC(=O)N(C)C)[NH2+][C@@H](CO)c1ccc(Br)cc1C(F)(F)F ZINC000280166723 563325118 /nfs/dbraw/zinc/32/51/18/563325118.db2.gz FSGGSLBHQOSRNE-RNCFNFMXSA-N 1 0 397.235 2.958 20 0 GFADRO C[C@H]1OCC[C@]12C[N@H+](CCC(=O)Nc1ccccc1Br)CCO2 ZINC000280248545 563329129 /nfs/dbraw/zinc/32/91/29/563329129.db2.gz BVIJTCCVJVLVBI-DYVFJYSZSA-N 1 0 383.286 2.658 20 0 GFADRO COC(=O)c1cc(NC(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)ccc1Br ZINC000373220641 563332132 /nfs/dbraw/zinc/33/21/32/563332132.db2.gz XQAAAPQDPFYYDD-QWHCGFSZSA-N 1 0 396.285 2.984 20 0 GFADRO Cc1cccc(C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)c1Br ZINC000373235387 563332647 /nfs/dbraw/zinc/33/26/47/563332647.db2.gz ZFLWMBGJZQEINZ-UHFFFAOYSA-N 1 0 377.286 3.473 20 0 GFADRO C[NH+]1CCC(n2ccc(NC(=O)CCc3ccc(Br)cc3)n2)CC1 ZINC000373280641 563333874 /nfs/dbraw/zinc/33/38/74/563333874.db2.gz YEXGYYLWEAWGPM-UHFFFAOYSA-N 1 0 391.313 3.484 20 0 GFADRO COc1cc(Br)ccc1C[NH2+][C@@H]1CCCN(Cc2noc(C)n2)C1 ZINC000373308611 563334475 /nfs/dbraw/zinc/33/44/75/563334475.db2.gz AULFXEJFNRIRSU-OAHLLOKOSA-N 1 0 395.301 2.903 20 0 GFADRO CC[NH+]1CCC(N(C2CC2)S(=O)(=O)c2ccc(C(F)(F)F)nc2)CC1 ZINC000373311271 563334830 /nfs/dbraw/zinc/33/48/30/563334830.db2.gz PEEXRBJQFGFUKO-UHFFFAOYSA-N 1 0 377.432 2.738 20 0 GFADRO CSc1ccc([C@H](CNC(=O)NCCc2nnc(C)s2)[NH+](C)C)cc1 ZINC000297898998 563339348 /nfs/dbraw/zinc/33/93/48/563339348.db2.gz HUNXUPAZXIIIEF-HNNXBMFYSA-N 1 0 379.555 2.713 20 0 GFADRO Cc1[nH]c(=O)c(C(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)cc1Br ZINC000373514877 563340576 /nfs/dbraw/zinc/34/05/76/563340576.db2.gz WCPAJMLJLAGFSG-CYBMUJFWSA-N 1 0 382.302 2.662 20 0 GFADRO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000422491104 563341003 /nfs/dbraw/zinc/34/10/03/563341003.db2.gz NMZXSIOIHBHNFT-ZDUSSCGKSA-N 1 0 386.323 2.800 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)NC(C)(C)CC[NH3+] ZINC000422600934 563344728 /nfs/dbraw/zinc/34/47/28/563344728.db2.gz VZVRWGVHJZBDMY-UHFFFAOYSA-N 1 0 385.306 2.513 20 0 GFADRO CC(C)(CC[NH3+])NC(=O)NCc1ccc(I)cc1Cl ZINC000422623822 563345184 /nfs/dbraw/zinc/34/51/84/563345184.db2.gz XSQSFHUOVJFVCY-UHFFFAOYSA-N 1 0 395.672 2.871 20 0 GFADRO C[C@@H]1OCC[C@@H]1S(=O)(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccc(Cl)c1 ZINC000373668846 563345762 /nfs/dbraw/zinc/34/57/62/563345762.db2.gz WEPQSZOZHSEYKW-IKICRFKJSA-N 1 0 386.945 2.820 20 0 GFADRO C[C@H]([NH2+]C[C@H](O)CC(C)(C)C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000280716995 563351326 /nfs/dbraw/zinc/35/13/26/563351326.db2.gz MXXHDFHLPZMGJR-CMPLNLGQSA-N 1 0 393.347 2.544 20 0 GFADRO COc1cc(Br)c(CN[C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)cc1OC ZINC000422948576 563351335 /nfs/dbraw/zinc/35/13/35/563351335.db2.gz SNKITSVVSGFMEA-FVQBIDKESA-N 1 0 399.329 2.713 20 0 GFADRO C[C@@H](C[C@@H]1COCCN1)[NH2+]Cc1cc(Br)ccc1OC(F)F ZINC000422950196 563351795 /nfs/dbraw/zinc/35/17/95/563351795.db2.gz XIBJVMZGILGLMV-GXFFZTMASA-N 1 0 379.245 2.907 20 0 GFADRO COc1ccc([C@H](NCc2ccc(S(C)(=O)=O)s2)[C@@H]2CCC[NH2+]2)cc1 ZINC000423071080 563353714 /nfs/dbraw/zinc/35/37/14/563353714.db2.gz NZSDEYSIMHZGHE-WMZOPIPTSA-N 1 0 380.535 2.743 20 0 GFADRO COc1cc(CNC(=O)NCC[N@H+]2CC=CCC2)cc(Br)c1OC ZINC000280782449 563353832 /nfs/dbraw/zinc/35/38/32/563353832.db2.gz FSVOUSUGBVNHAW-UHFFFAOYSA-N 1 0 398.301 2.527 20 0 GFADRO C[C@H](C[C@H]1COCCN1)[NH2+]Cc1ccc(I)cc1Cl ZINC000423093148 563354528 /nfs/dbraw/zinc/35/45/28/563354528.db2.gz GBRCAAQYMUMSAD-MFKMUULPSA-N 1 0 394.684 2.801 20 0 GFADRO C[N@@H+]1CC[C@H](CNC(=O)Cc2ccc([S@@](C)=O)cc2)[C@H]1c1cccs1 ZINC000373901275 563354969 /nfs/dbraw/zinc/35/49/69/563354969.db2.gz ZNVYZGSZAABXCK-HBVFZEQNSA-N 1 0 376.547 2.837 20 0 GFADRO Cc1cc(Br)cc(C)c1N1CCC[C@H](N[C@H](C)C2C[NH2+]C2)C1=O ZINC000423102939 563355602 /nfs/dbraw/zinc/35/56/02/563355602.db2.gz FQONFFRPIFLGSH-CJNGLKHVSA-N 1 0 380.330 2.759 20 0 GFADRO C[C@@H]1C[N@@H+](C2CCN(C(=O)c3ccc(Br)cc3F)CC2)CCO1 ZINC000373946908 563356366 /nfs/dbraw/zinc/35/63/66/563356366.db2.gz KHWHVLXANNRXEX-GFCCVEGCSA-N 1 0 385.277 2.914 20 0 GFADRO COc1ccc(C[C@H](CO)C[NH2+][C@@H](C)c2cnccc2N)cc1Br ZINC000423153893 563357145 /nfs/dbraw/zinc/35/71/45/563357145.db2.gz IJYNUJVPOYDEAN-JSGCOSHPSA-N 1 0 394.313 2.767 20 0 GFADRO CC[C@H](NC[C@@H](CO)Cc1cc(Br)ccc1OC)[C@@H]1CCC[NH2+]1 ZINC000423155458 563357240 /nfs/dbraw/zinc/35/72/40/563357240.db2.gz LCXRANFPOAQRIO-JQFCIGGWSA-N 1 0 385.346 2.729 20 0 GFADRO O=C(Nc1cc(F)cc(Br)c1F)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000298503381 563357322 /nfs/dbraw/zinc/35/73/22/563357322.db2.gz RPJAYKUMIUPZBZ-LLVKDONJSA-N 1 0 392.244 2.696 20 0 GFADRO Cc1cn2c(n1)CC[C@@H](NC(=O)[C@@H](C)Oc1ccc(F)cc1Br)C2 ZINC000373992718 563357603 /nfs/dbraw/zinc/35/76/03/563357603.db2.gz OGGDSKDCPNSSHJ-DGCLKSJQSA-N 1 0 396.260 2.992 20 0 GFADRO O=C(Nc1cc(F)cc(Br)c1F)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000298503389 563357734 /nfs/dbraw/zinc/35/77/34/563357734.db2.gz RPJAYKUMIUPZBZ-NSHDSACASA-N 1 0 392.244 2.696 20 0 GFADRO C[C@@H]([NH2+]CC1(S(C)(=O)=O)CC1)c1ccc(I)cc1 ZINC000280857455 563357944 /nfs/dbraw/zinc/35/79/44/563357944.db2.gz BZDRCPBPEYSDLO-SNVBAGLBSA-N 1 0 379.263 2.519 20 0 GFADRO [NH3+]CCCCn1cc(C(=O)N2CCSC[C@@H]2c2ccc(Cl)cc2)nn1 ZINC000423216559 563358555 /nfs/dbraw/zinc/35/85/55/563358555.db2.gz QKOFZJADAGHEIO-MRXNPFEDSA-N 1 0 379.917 2.601 20 0 GFADRO CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000423173980 563358702 /nfs/dbraw/zinc/35/87/02/563358702.db2.gz AUQUNGJWVFHSDJ-ZDUSSCGKSA-N 1 0 386.323 2.929 20 0 GFADRO C[C@@H](NC[C@@H]([NH3+])c1ccccc1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000423248375 563359392 /nfs/dbraw/zinc/35/93/92/563359392.db2.gz NEHDUJMJRHRLJJ-MEBBXXQBSA-N 1 0 388.320 2.991 20 0 GFADRO CC(C)[NH+]1CCC(NC(=O)CN2CCO[C@@H](c3ccc(Cl)s3)C2)CC1 ZINC000374063858 563359775 /nfs/dbraw/zinc/35/97/75/563359775.db2.gz JVSPMUKZWPUYIW-OAHLLOKOSA-N 1 0 385.961 2.764 20 0 GFADRO Cc1c([C@H](C)N[C@@H]2C[NH2+]CC[C@@H]2C)nnn1-c1cccc(Br)c1 ZINC000423366307 563360608 /nfs/dbraw/zinc/36/06/08/563360608.db2.gz QEFGGTWQULPKOX-MQIPJXDCSA-N 1 0 378.318 2.987 20 0 GFADRO CCn1ccnc1[C@H](N[C@@H](C)[C@@H](C)[NH3+])c1ccc(I)cc1 ZINC000423447971 563361138 /nfs/dbraw/zinc/36/11/38/563361138.db2.gz PKLCGFUJIICESP-TYNCELHUSA-N 1 0 398.292 2.922 20 0 GFADRO CC[C@H]([NH2+][C@H](C)Cc1cc(C)n[nH]1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000280930148 563361149 /nfs/dbraw/zinc/36/11/49/563361149.db2.gz RPPYZWLOCIYYFC-BZNIZROVSA-N 1 0 384.933 2.952 20 0 GFADRO C[C@H](c1ccccc1Br)N(C)C(=O)C(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000423564523 563361918 /nfs/dbraw/zinc/36/19/18/563361918.db2.gz OXNWLWGSHDFQFB-BFHYXJOUSA-N 1 0 396.329 2.554 20 0 GFADRO C[C@@H](c1ccccc1Br)N(C)C(=O)C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000423561346 563361971 /nfs/dbraw/zinc/36/19/71/563361971.db2.gz LRIYQJUOZAGGHO-UONOGXRCSA-N 1 0 396.329 2.556 20 0 GFADRO CCN(Cc1ccccc1Br)C(=O)C(=O)N(C)CC[C@@H]([NH3+])C(C)C ZINC000423594423 563362131 /nfs/dbraw/zinc/36/21/31/563362131.db2.gz JZVVWUNAAWCJPQ-MRXNPFEDSA-N 1 0 398.345 2.629 20 0 GFADRO C[C@H]1c2cc(Cl)cc(Cl)c2CCN1C(=O)C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000423545127 563362186 /nfs/dbraw/zinc/36/21/86/563362186.db2.gz OTZSATIRBYQBLC-BBATYDOGSA-N 1 0 384.307 2.636 20 0 GFADRO O=S(=O)(c1ccc(CC(F)(F)F)cc1)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000374114689 563362513 /nfs/dbraw/zinc/36/25/13/563362513.db2.gz NDZVGRRREVPDHJ-ZBFHGGJFSA-N 1 0 376.444 2.944 20 0 GFADRO C[C@@H](c1ccccc1Br)N(C)C(=O)c1cn(CCCC[NH3+])nn1 ZINC000423871625 563364145 /nfs/dbraw/zinc/36/41/45/563364145.db2.gz FALWCOYPSGLXGK-LBPRGKRZSA-N 1 0 380.290 2.613 20 0 GFADRO [NH3+]C[C@H](NC(=O)c1cc(=O)[nH]c2c(Br)cccc12)C1CCCC1 ZINC000423937037 563364349 /nfs/dbraw/zinc/36/43/49/563364349.db2.gz DSBCNJCIENDJFG-AWEZNQCLSA-N 1 0 378.270 2.950 20 0 GFADRO CC(=O)N[C@H](CC(=O)N[C@H](C[NH3+])C1CCCC1)c1ccc(Br)cc1 ZINC000423951517 563365025 /nfs/dbraw/zinc/36/50/25/563365025.db2.gz ZAMIZFIUFOIOAJ-IAGOWNOFSA-N 1 0 396.329 2.650 20 0 GFADRO [NH3+]C[C@H](NC(=O)[C@H]1CCN(c2cc(Cl)ccc2Cl)C1=O)C1CCCC1 ZINC000423967042 563365714 /nfs/dbraw/zinc/36/57/14/563365714.db2.gz SEOISSNDLTZVFC-HIFRSBDPSA-N 1 0 384.307 2.980 20 0 GFADRO C[C@@H]1CN(C(=O)COc2ccc(Br)cc2Cl)C[C@@]1(C)C[NH3+] ZINC000423981738 563366331 /nfs/dbraw/zinc/36/63/31/563366331.db2.gz HLNALYFTHFPAMW-MEBBXXQBSA-N 1 0 375.694 2.925 20 0 GFADRO [NH3+]Cc1cn([C@H]2CCCN(C(=O)c3ccc(Br)c(Cl)c3)C2)nn1 ZINC000424009339 563366913 /nfs/dbraw/zinc/36/69/13/563366913.db2.gz XVWWPAGJIBVCAB-LBPRGKRZSA-N 1 0 398.692 2.630 20 0 GFADRO [NH3+]Cc1cn([C@@H]2CCCN(C(=O)c3ccc(Cl)c(Br)c3)C2)nn1 ZINC000424006549 563367135 /nfs/dbraw/zinc/36/71/35/563367135.db2.gz UKCLEKXAVLBJPC-GFCCVEGCSA-N 1 0 398.692 2.630 20 0 GFADRO C[C@@H]1CCN(C(=O)c2ccn(-c3cccc(Br)c3)n2)C[C@@H]1C[NH3+] ZINC000424010861 563367219 /nfs/dbraw/zinc/36/72/19/563367219.db2.gz ISVZDGWOLSYZOG-OLZOCXBDSA-N 1 0 377.286 2.692 20 0 GFADRO CCc1c(C(=O)N(C)CCC[NH2+]C)cnn1-c1ccc(Br)cc1 ZINC000424035121 563367844 /nfs/dbraw/zinc/36/78/44/563367844.db2.gz SEQIOXQFZQHNLA-UHFFFAOYSA-N 1 0 379.302 2.879 20 0 GFADRO CC(C)(CC[NH3+])NC(=O)CCc1nc(-c2cc(Br)cs2)no1 ZINC000424049606 563367904 /nfs/dbraw/zinc/36/79/04/563367904.db2.gz XCQGXTAUCWQMKX-UHFFFAOYSA-N 1 0 387.303 2.737 20 0 GFADRO C[S@](=O)C[C@@H]([NH2+]CCC(=O)N1CCc2sccc2C1)c1ccccc1 ZINC000298831365 563368122 /nfs/dbraw/zinc/36/81/22/563368122.db2.gz HDTNCDGBLDEHCU-NSYGIPOTSA-N 1 0 376.547 2.732 20 0 GFADRO COc1cc(C(=O)N2CC[C@@H](c3nccn3C)C2)cc(OC)c1Br ZINC000374330084 563368140 /nfs/dbraw/zinc/36/81/40/563368140.db2.gz HIEHBKRUPPRFEF-LLVKDONJSA-N 1 0 394.269 2.830 20 0 GFADRO C[C@H]([NH2+]C[C@H]1CCn2ncc(C(N)=O)c2C1)c1ccc(F)cc1Br ZINC000281181543 563368987 /nfs/dbraw/zinc/36/89/87/563368987.db2.gz QQNSWCOAJRJBRI-QWRGUYRKSA-N 1 0 395.276 2.797 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2C(=O)Cc1ccc(F)c(Br)c1 ZINC000374423590 563371841 /nfs/dbraw/zinc/37/18/41/563371841.db2.gz SRSVUZZUYFTIJZ-COXVUDFISA-N 1 0 399.304 2.841 20 0 GFADRO C[C@@H]([NH2+]C[C@H]1CCn2ncc(C(N)=O)c2C1)c1cc(Br)ccc1F ZINC000281289942 563372830 /nfs/dbraw/zinc/37/28/30/563372830.db2.gz XYTFPGMVQNXHFL-MNOVXSKESA-N 1 0 395.276 2.797 20 0 GFADRO CCc1ccccc1[C@H]([NH3+])CNC(=O)c1cnc(OC)c(Br)c1 ZINC000424198427 563373071 /nfs/dbraw/zinc/37/30/71/563373071.db2.gz PFSYONNKQIYSLN-OAHLLOKOSA-N 1 0 378.270 2.845 20 0 GFADRO CC1(C)CN(C(=O)[C@H]2CCN(c3cc(Cl)cc(Cl)c3)C2=O)CC[C@H]1[NH3+] ZINC000374508874 563374651 /nfs/dbraw/zinc/37/46/51/563374651.db2.gz VDEYJRCHORZGEI-HUUCEWRRSA-N 1 0 384.307 2.932 20 0 GFADRO COC(=O)CC1CC([NH2+]C[C@H](CO)Cc2ccc(C)c(Br)c2)C1 ZINC000424346476 563375791 /nfs/dbraw/zinc/37/57/91/563375791.db2.gz JQOKCYWPAGFOBY-HWOWSKLDSA-N 1 0 384.314 2.840 20 0 GFADRO CN(C[C@@H]1C[C@H](F)CN1Cc1ccnn1C)c1nc(C(F)(F)F)cs1 ZINC000281441640 563377453 /nfs/dbraw/zinc/37/74/53/563377453.db2.gz KEPGFCXJMAZFDV-JQWIXIFHSA-N 1 0 377.411 2.944 20 0 GFADRO Cc1cc(Br)cc(S(=O)(=O)N2CC3(C[C@@H]2C)CC[NH2+]CC3)c1 ZINC000424390165 563377747 /nfs/dbraw/zinc/37/77/47/563377747.db2.gz JOWLFCGTUXAKEH-ZDUSSCGKSA-N 1 0 387.343 2.910 20 0 GFADRO Cc1cc(Br)cn2c(C[NH2+][C@H]3CCO[C@@]4(CCOC4)C3)cnc12 ZINC000374626612 563377777 /nfs/dbraw/zinc/37/77/77/563377777.db2.gz AUKVGWYAJVTGPT-YOEHRIQHSA-N 1 0 380.286 2.833 20 0 GFADRO COCC[N@@H+]1CCCN(C(=O)c2cc3c(cc(Br)cc3F)[nH]2)CC1 ZINC000299227555 563378535 /nfs/dbraw/zinc/37/85/35/563378535.db2.gz DNOPUOQFNZYDLQ-UHFFFAOYSA-N 1 0 398.276 2.864 20 0 GFADRO COCCS(=O)(=O)N[C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000374693240 563380333 /nfs/dbraw/zinc/38/03/33/563380333.db2.gz VZTBNWWPIXLCPI-NXCDMZCRSA-N 1 0 386.945 2.820 20 0 GFADRO C[C@@H](C(F)(F)F)S(=O)(=O)N1CCC2(C[C@H]2N(C)Cc2nccs2)CC1 ZINC000374731493 563381127 /nfs/dbraw/zinc/38/11/27/563381127.db2.gz BLTXFKCDXQFNAN-NWDGAFQWSA-N 1 0 397.488 2.710 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)NCc1noc(-c2cccs2)n1)c1cccs1 ZINC000299310277 563381606 /nfs/dbraw/zinc/38/16/06/563381606.db2.gz SDYNOTJFBQEUCV-LLVKDONJSA-N 1 0 377.495 2.962 20 0 GFADRO CS(=O)(=O)N1CC[C@H](C[N@@H+]2CCC[C@H]2c2ccc(Br)cc2)C1 ZINC000374772876 563382329 /nfs/dbraw/zinc/38/23/29/563382329.db2.gz ALDQJAIQDVOWTM-CJNGLKHVSA-N 1 0 387.343 2.868 20 0 GFADRO O=C(Cc1noc2ccc(Br)cc21)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000424599207 563383140 /nfs/dbraw/zinc/38/31/40/563383140.db2.gz WBOMAJGTIBTIET-UKRRQHHQSA-N 1 0 378.270 2.876 20 0 GFADRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2c[nH]c3ncc(Br)cc23)C1 ZINC000281679142 563383282 /nfs/dbraw/zinc/38/32/82/563383282.db2.gz ULMAFUATPZVECY-ABAIWWIYSA-N 1 0 377.286 2.882 20 0 GFADRO OC[C@@]1([NH2+]C[C@@H](O)c2ccccc2Br)CCOc2ccccc21 ZINC000281707186 563384509 /nfs/dbraw/zinc/38/45/09/563384509.db2.gz OGKJETOZLPJHFU-AEFFLSMTSA-N 1 0 378.266 2.742 20 0 GFADRO Cc1csc([C@@](O)(CC(=O)N(C)CCC[NH+]2CCCC2)C(F)(F)F)n1 ZINC000281727393 563384872 /nfs/dbraw/zinc/38/48/72/563384872.db2.gz NXUPMCOCHMIKOG-HNNXBMFYSA-N 1 0 379.448 2.536 20 0 GFADRO CN(CC1CC[NH+](C)CC1)C(=O)Cc1noc2ccc(Br)cc21 ZINC000424637241 563385093 /nfs/dbraw/zinc/38/50/93/563385093.db2.gz CJJKOQFWNKSAPE-UHFFFAOYSA-N 1 0 380.286 2.933 20 0 GFADRO COc1ncc(C(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)cc1Br ZINC000424658549 563385516 /nfs/dbraw/zinc/38/55/16/563385516.db2.gz GSGZHYWPFOWDBB-AWEZNQCLSA-N 1 0 382.302 2.943 20 0 GFADRO O=C(C[N@@H+]1CC[C@H](Cc2ccncc2)C1)Nc1ccc(Br)cn1 ZINC000374932219 563386691 /nfs/dbraw/zinc/38/66/91/563386691.db2.gz PVXJFMKWHKOQNG-CQSZACIVSA-N 1 0 375.270 2.742 20 0 GFADRO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)Cc1noc2ccc(Br)cc21 ZINC000424682242 563387364 /nfs/dbraw/zinc/38/73/64/563387364.db2.gz LWVYDQWHFAJHKZ-OAHLLOKOSA-N 1 0 380.286 2.931 20 0 GFADRO COCCn1cc(C[NH2+]Cc2cc(Br)c3c(c2)OCCCO3)cn1 ZINC000281837026 563388312 /nfs/dbraw/zinc/38/83/12/563388312.db2.gz ALBOADUFZCBDFD-UHFFFAOYSA-N 1 0 396.285 2.743 20 0 GFADRO C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N1CC[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000375038421 563388706 /nfs/dbraw/zinc/38/87/06/563388706.db2.gz KZPHCEKBXCLDDV-SLEUVZQESA-N 1 0 384.307 2.664 20 0 GFADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)c3cc(=O)[nH]c4c(Br)cccc34)C[C@@H]21 ZINC000375063309 563388773 /nfs/dbraw/zinc/38/87/73/563388773.db2.gz DRVNWNBBGPCBPX-ABAIWWIYSA-N 1 0 390.281 2.869 20 0 GFADRO Cn1nc(Br)c2c1ncnc2NC[C@@H](c1ccccc1)[NH+](C)C ZINC000301171856 563395345 /nfs/dbraw/zinc/39/53/45/563395345.db2.gz UVHUBOIYOVVUNB-LBPRGKRZSA-N 1 0 375.274 2.841 20 0 GFADRO CCN(CC)S(=O)(=O)c1ccc(CC[NH2+][C@@H](C)c2cc(C)n(C)n2)s1 ZINC000282084776 563397031 /nfs/dbraw/zinc/39/70/31/563397031.db2.gz HUUKLVFYUOSEDW-AWEZNQCLSA-N 1 0 384.571 2.714 20 0 GFADRO Cn1ncc(NC[C@H]2CCC[N@H+](Cc3cccs3)C2)c(Br)c1=O ZINC000301237674 563397287 /nfs/dbraw/zinc/39/72/87/563397287.db2.gz MIQGNVXZAFEVOK-GFCCVEGCSA-N 1 0 397.342 2.928 20 0 GFADRO CC(C)(O)C[N@@H+]1CCCN(Cc2nc3cc(Br)ccc3[nH]2)CC1 ZINC000375254872 563397566 /nfs/dbraw/zinc/39/75/66/563397566.db2.gz BHIZPSXRKABLSO-UHFFFAOYSA-N 1 0 381.318 2.604 20 0 GFADRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(c2cnn(C)c(=O)c2Br)C1 ZINC000301269343 563398665 /nfs/dbraw/zinc/39/86/65/563398665.db2.gz IZPKUQSELWTABS-UONOGXRCSA-N 1 0 383.334 2.634 20 0 GFADRO CN(Cc1cc(Br)cs1)C(=O)C[N@@H+]1CC[C@]2(C1)CCCOC2 ZINC000375302731 563398850 /nfs/dbraw/zinc/39/88/50/563398850.db2.gz LQPAYYJABCUBSO-INIZCTEOSA-N 1 0 387.343 2.972 20 0 GFADRO COCC(C)(C)[NH+]1CCN(C(=O)CCc2ccccc2Br)CC1 ZINC000425001156 563400811 /nfs/dbraw/zinc/40/08/11/563400811.db2.gz OOXDOTMWJIHJFU-UHFFFAOYSA-N 1 0 383.330 2.951 20 0 GFADRO C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)Nc1cncc(Br)c1 ZINC000301410142 563402983 /nfs/dbraw/zinc/40/29/83/563402983.db2.gz XPIMLCVBTCRTAU-AWEZNQCLSA-N 1 0 376.302 2.862 20 0 GFADRO C[N@@H+]1CCC[C@@H](N2CCN(Cc3nc4cc(Br)ccc4[nH]3)CC2)C1 ZINC000375401582 563403274 /nfs/dbraw/zinc/40/32/74/563403274.db2.gz HDJLVAOUGIICAP-OAHLLOKOSA-N 1 0 392.345 2.537 20 0 GFADRO Cc1sc(=O)n(CC(=O)Nc2nc3c(s2)C[N@@H+](C(C)(C)C)CC3)c1C ZINC000425075052 563403500 /nfs/dbraw/zinc/40/35/00/563403500.db2.gz CNCFXMOUXCUEBG-UHFFFAOYSA-N 1 0 380.539 2.778 20 0 GFADRO Cc1cn(C)nc1C(=O)Nc1cc(Br)ccc1N(C)CC[NH+](C)C ZINC000425101033 563404423 /nfs/dbraw/zinc/40/44/23/563404423.db2.gz XHKPDNCYFAZKIF-UHFFFAOYSA-N 1 0 394.317 2.741 20 0 GFADRO Cc1nc(C(=O)Nc2cc(Br)ccc2N(C)CC[NH+](C)C)c[nH]1 ZINC000425097495 563404601 /nfs/dbraw/zinc/40/46/01/563404601.db2.gz HWLFAMFOVGYEEE-UHFFFAOYSA-N 1 0 380.290 2.731 20 0 GFADRO CCNC(=O)CN1CCC[C@H]1c1nc(-c2cccc(Br)c2)no1 ZINC000375466889 563406393 /nfs/dbraw/zinc/40/63/93/563406393.db2.gz GWGSJUVIQXDPIS-ZDUSSCGKSA-N 1 0 379.258 2.772 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCO[C@H]1C1CC1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000375667674 563413912 /nfs/dbraw/zinc/41/39/12/563413912.db2.gz ZEBPZGHNKJKVJR-ZXCZTKLOSA-N 1 0 379.309 2.859 20 0 GFADRO COc1cc2[nH+]ccc(N[C@H](C)CCS(C)(=O)=O)c2cc1Br ZINC000425241626 563414216 /nfs/dbraw/zinc/41/42/16/563414216.db2.gz QNOPOBPKAXJHNT-SNVBAGLBSA-N 1 0 387.299 2.663 20 0 GFADRO COc1cc2[nH+]ccc(N3CCN4C(=O)CC[C@@H]4C3)c2cc1Br ZINC000425248001 563414940 /nfs/dbraw/zinc/41/49/40/563414940.db2.gz PWXQMAUBERZDGG-LLVKDONJSA-N 1 0 376.254 2.817 20 0 GFADRO COc1cc2[nH+]ccc(N(C)CC3(O)CCOCC3)c2cc1Br ZINC000425253350 563415082 /nfs/dbraw/zinc/41/50/82/563415082.db2.gz JGFHBZCWUJAOBV-UHFFFAOYSA-N 1 0 381.270 2.984 20 0 GFADRO CCc1n[nH]c(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1Br ZINC000375742386 563417150 /nfs/dbraw/zinc/41/71/50/563417150.db2.gz IBUIYZAUVWGPGQ-FZMZJTMJSA-N 1 0 381.318 2.824 20 0 GFADRO COC(=O)[C@@H]1C[N@H+](Cc2cncnc2)C[C@H]1c1ccc(Br)cc1 ZINC000425345639 563418966 /nfs/dbraw/zinc/41/89/66/563418966.db2.gz HRRLZLRMWGNFED-JKSUJKDBSA-N 1 0 376.254 2.628 20 0 GFADRO CCCCN(Cc1ccccc1Cl)C(=O)C1(S(C)(=O)=O)CC[NH2+]CC1 ZINC000375821759 563419275 /nfs/dbraw/zinc/41/92/75/563419275.db2.gz BTVGQFLPMWCMCX-UHFFFAOYSA-N 1 0 386.945 2.636 20 0 GFADRO CS[C@@H]1CC[C@H]1[NH2+]CCCNS(=O)(=O)c1ccccc1Br ZINC000425388780 563420021 /nfs/dbraw/zinc/42/00/21/563420021.db2.gz WTSLXCKWPWAYIG-CHWSQXEVSA-N 1 0 393.372 2.601 20 0 GFADRO CC[N@H+](CCOCCO)Cc1cc(Br)c(OC(F)F)c(OC)c1 ZINC000282663066 563420126 /nfs/dbraw/zinc/42/01/26/563420126.db2.gz GYGZSPQHNUFUFY-UHFFFAOYSA-N 1 0 398.244 2.890 20 0 GFADRO CCCOc1c(Br)cc(C[NH2+][C@@H](C)C(=O)NCCF)cc1OC ZINC000282700969 563421266 /nfs/dbraw/zinc/42/12/66/563421266.db2.gz OWGOWSMJFJBDHA-NSHDSACASA-N 1 0 391.281 2.810 20 0 GFADRO Cc1cc(Br)oc1C(=O)N1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000375880068 563422032 /nfs/dbraw/zinc/42/20/32/563422032.db2.gz LGPLLFZGVNKAEX-AWEZNQCLSA-N 1 0 384.318 2.591 20 0 GFADRO CN(CCC[N@H+](C)Cc1ccco1)Cc1ccc(S(=O)(=O)N(C)C)s1 ZINC000425458583 563423559 /nfs/dbraw/zinc/42/35/59/563423559.db2.gz NJHVQOAVDLWWSP-UHFFFAOYSA-N 1 0 385.555 2.545 20 0 GFADRO CC(C)[C@H]1CN(C)CC[N@@H+]1C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000425488976 563424905 /nfs/dbraw/zinc/42/49/05/563424905.db2.gz XQNHOORGPXEFPZ-NVXWUHKLSA-N 1 0 389.309 2.600 20 0 GFADRO COCC(C)(C)[NH+]1CCN(CC(=O)Nc2ccc(Br)cc2C)CC1 ZINC000425501971 563425471 /nfs/dbraw/zinc/42/54/71/563425471.db2.gz GAHHGRXOUUNVIP-UHFFFAOYSA-N 1 0 398.345 2.739 20 0 GFADRO COC(=O)[C@@H]1C[N@H+](CCC2(O)CCC2)C[C@H]1c1ccc(Br)cc1 ZINC000425508801 563425698 /nfs/dbraw/zinc/42/56/98/563425698.db2.gz IEGFWTFLELJVNJ-JKSUJKDBSA-N 1 0 382.298 2.943 20 0 GFADRO O=S(=O)(c1ccc(OC(F)F)c(F)c1)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000376122947 563430766 /nfs/dbraw/zinc/43/07/66/563430766.db2.gz NKGYTBZHQLTFDU-FZMZJTMJSA-N 1 0 378.416 2.580 20 0 GFADRO C[C@@H]1C[N@@H+](CCN(C)c2ccnc3cc(Br)cnc32)C[C@H](C)O1 ZINC000302843964 563431086 /nfs/dbraw/zinc/43/10/86/563431086.db2.gz FKNBYXCGNPONKJ-BETUJISGSA-N 1 0 379.302 2.938 20 0 GFADRO CC1CCN(C(=[NH2+])NCCCNC(=O)c2ccc(Br)cc2)CC1 ZINC000303388558 563432857 /nfs/dbraw/zinc/43/28/57/563432857.db2.gz XOYZWQBVOLOIEP-UHFFFAOYSA-N 1 0 381.318 2.825 20 0 GFADRO O=C(NCC1CC[NH+](CCO)CC1)Nc1cc(Cl)ccc1OC(F)F ZINC000425693695 563433015 /nfs/dbraw/zinc/43/30/15/563433015.db2.gz UFUHHUXKYPQCQA-UHFFFAOYSA-N 1 0 377.819 2.767 20 0 GFADRO CC[C@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1ccc(C(=O)OC)cc1Cl ZINC000303544832 563434036 /nfs/dbraw/zinc/43/40/36/563434036.db2.gz GQXFNWUTZQJNSR-AWEZNQCLSA-N 1 0 388.917 2.669 20 0 GFADRO C[C@@H](CS(=O)(=O)c1ccccc1)[NH2+]C[C@@H](O)c1cccc(Br)c1 ZINC000283139411 563436691 /nfs/dbraw/zinc/43/66/91/563436691.db2.gz HBUGETASMUWGSY-SUMWQHHRSA-N 1 0 398.322 2.935 20 0 GFADRO CCOC(=O)[C@H](C)[C@H](C)[NH2+]CC(=O)N(C)Cc1cc(Br)cs1 ZINC000283172143 563437478 /nfs/dbraw/zinc/43/74/78/563437478.db2.gz POIYYJSBIDDIPQ-MNOVXSKESA-N 1 0 391.331 2.646 20 0 GFADRO COc1c(Br)cccc1CN1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000376326291 563437835 /nfs/dbraw/zinc/43/78/35/563437835.db2.gz YKQNDOWIJMIMDK-MAUKXSAKSA-N 1 0 396.373 2.916 20 0 GFADRO C[NH+]1CCC2(CCCN(S(=O)(=O)c3cccnc3C(F)(F)F)C2)CC1 ZINC000376358729 563439251 /nfs/dbraw/zinc/43/92/51/563439251.db2.gz KNKNIOMMDDVMNT-UHFFFAOYSA-N 1 0 377.432 2.597 20 0 GFADRO Cc1ccc(CN2C(=O)N[C@@]3(CCCC[C@H]3C[NH3+])C2=O)cc1Br ZINC000314575870 563439443 /nfs/dbraw/zinc/43/94/43/563439443.db2.gz PPHHONYGTRMDOW-SUMWQHHRSA-N 1 0 380.286 2.697 20 0 GFADRO O=S(=O)(c1ccc(Br)cc1Cl)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000314907802 563440293 /nfs/dbraw/zinc/44/02/93/563440293.db2.gz KXDQGAHRCXFPHK-PHIMTYICSA-N 1 0 393.734 2.723 20 0 GFADRO O=C(N[C@@H]1CCC[NH2+]CC1)[C@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl ZINC000376389524 563440669 /nfs/dbraw/zinc/44/06/69/563440669.db2.gz XDCVCVNPRKYJKN-CZUORRHYSA-N 1 0 384.307 2.856 20 0 GFADRO C[NH+]1CCC2(CCCN([C@H](C(N)=O)c3ccc(Br)cc3)C2)CC1 ZINC000376382945 563440737 /nfs/dbraw/zinc/44/07/37/563440737.db2.gz FVTLMDSWDHUCJK-INIZCTEOSA-N 1 0 380.330 2.783 20 0 GFADRO Cc1cc(NC(=O)C(=O)NCC2([NH+](C)C)CCCC2)cc(C)c1Br ZINC000426078822 563443593 /nfs/dbraw/zinc/44/35/93/563443593.db2.gz KLDUWNICXYFWHS-UHFFFAOYSA-N 1 0 396.329 2.995 20 0 GFADRO CC[N@H+](C)C[C@H]1CCN(S(=O)(=O)Cc2cccc(Br)c2)C1 ZINC000283498037 563446608 /nfs/dbraw/zinc/44/66/08/563446608.db2.gz JFESFKFIHJTVMW-CQSZACIVSA-N 1 0 375.332 2.553 20 0 GFADRO C[C@@H]1C[N@@H+](C2CCN(C(=O)Nc3nc4c(s3)CSCC4)CC2)CCO1 ZINC000376588330 563447397 /nfs/dbraw/zinc/44/73/97/563447397.db2.gz NBKGPDOBZWFKCP-GFCCVEGCSA-N 1 0 382.555 2.649 20 0 GFADRO C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)Nc2ncc(C(F)(F)F)s2)CC1 ZINC000283680426 563451214 /nfs/dbraw/zinc/45/12/14/563451214.db2.gz UGYUYDQIAYFKED-SNVBAGLBSA-N 1 0 380.436 2.718 20 0 GFADRO OCCn1ncc2c1CCC[C@@H]2[NH2+]Cc1cc2c(c(Br)c1)OCO2 ZINC000324416298 563452247 /nfs/dbraw/zinc/45/22/47/563452247.db2.gz XGINXGVOBDTVOM-AWEZNQCLSA-N 1 0 394.269 2.534 20 0 GFADRO O=S1(=O)CC[C@H]([NH2+]C[C@@H]2CCN(CC(F)(F)F)C2)c2cc(F)ccc21 ZINC000326842205 563455968 /nfs/dbraw/zinc/45/59/68/563455968.db2.gz LXCMSTWKABMKFT-FZMZJTMJSA-N 1 0 380.407 2.518 20 0 GFADRO O=C(c1cc(Cl)c[nH]1)N1CCC([NH2+][C@@H]2CCO[C@@H](C(F)(F)F)C2)CC1 ZINC000376902683 563457555 /nfs/dbraw/zinc/45/75/55/563457555.db2.gz JUDMJZMKSLLCAJ-TZMCWYRMSA-N 1 0 379.810 2.972 20 0 GFADRO Cc1[nH]c(=O)c(C(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)cc1Br ZINC000427222641 563462608 /nfs/dbraw/zinc/46/26/08/563462608.db2.gz AVNKTENZKUOZQU-ZDUSSCGKSA-N 1 0 382.302 2.662 20 0 GFADRO Cc1cc(C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)nn1-c1ccc(Br)cc1 ZINC000377125320 563464253 /nfs/dbraw/zinc/46/42/53/563464253.db2.gz FDWRQUXKCJNVNQ-CABCVRRESA-N 1 0 389.297 2.910 20 0 GFADRO Cc1nc(S(=O)(=O)N2CCC[C@H]2c2nc3c(n2C)CCCC3)sc1C ZINC000328767607 563464855 /nfs/dbraw/zinc/46/48/55/563464855.db2.gz FTCRLPWWFONYME-HNNXBMFYSA-N 1 0 380.539 2.898 20 0 GFADRO O=C(C[C@H]1CC[NH2+]C1)N1CCC[C@@H]1c1ccccc1I ZINC000427383609 563466731 /nfs/dbraw/zinc/46/67/31/563466731.db2.gz KHLRNLCCOSNPQE-IUODEOHRSA-N 1 0 384.261 2.954 20 0 GFADRO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)Cn1cc(Br)cn1 ZINC000427452108 563467945 /nfs/dbraw/zinc/46/79/45/563467945.db2.gz YWHHSGOHWNBILP-UHFFFAOYSA-N 1 0 399.255 2.768 20 0 GFADRO Cn1cc([C@H]2[C@H](C[NH2+]Cc3cc(Br)ccc3F)CC(=O)N2C)cn1 ZINC000377251585 563468523 /nfs/dbraw/zinc/46/85/23/563468523.db2.gz QHHPIKZKMOCWML-YVEFUNNKSA-N 1 0 395.276 2.631 20 0 GFADRO Cn1cc([C@H]2[C@H](C[NH2+]Cc3ccc(F)c(Br)c3)CC(=O)N2C)cn1 ZINC000377301189 563470257 /nfs/dbraw/zinc/47/02/57/563470257.db2.gz ZJVXKAKPHPNTGD-YVEFUNNKSA-N 1 0 395.276 2.631 20 0 GFADRO COCC[C@H](Cc1cccc(Br)c1)C(=O)NCC1=CC[NH2+]CC1 ZINC000427612538 563470602 /nfs/dbraw/zinc/47/06/02/563470602.db2.gz OGTTXPITOHVDSO-MRXNPFEDSA-N 1 0 381.314 2.680 20 0 GFADRO CN1CC[C@H]([NH2+]CC(=O)Nc2ccc(Br)cn2)[C@H]1c1ccccc1 ZINC000284436893 563474448 /nfs/dbraw/zinc/47/44/48/563474448.db2.gz YZTOSWBDRKDSEI-MAUKXSAKSA-N 1 0 389.297 2.818 20 0 GFADRO C[C@@H]1Cc2cc(S(=O)(=O)N3CCC[C@H]4C[N@H+](C)CC[C@@H]43)cc(Cl)c2O1 ZINC000427797416 563475099 /nfs/dbraw/zinc/47/50/99/563475099.db2.gz KXTFTJFOURXJHY-IGCXYCKISA-N 1 0 384.929 2.768 20 0 GFADRO C[C@@H]1Cc2cc(S(=O)(=O)N3CCC[C@@H]4C[N@H+](C)CC[C@H]43)cc(Cl)c2O1 ZINC000427797418 563475164 /nfs/dbraw/zinc/47/51/64/563475164.db2.gz KXTFTJFOURXJHY-PBFPGSCMSA-N 1 0 384.929 2.768 20 0 GFADRO NC(=O)[C@H]([NH2+][C@@H]1CCN(c2ccccc2F)C1)c1ccc(Br)cc1 ZINC000427834637 563477131 /nfs/dbraw/zinc/47/71/31/563477131.db2.gz KJEKANAMFZHFMY-RHSMWYFYSA-N 1 0 392.272 2.983 20 0 GFADRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2S(=O)(=O)c2ccc(Br)s2)C1 ZINC000427812066 563477223 /nfs/dbraw/zinc/47/72/23/563477223.db2.gz PCCWBXUVWOJCPJ-QWRGUYRKSA-N 1 0 379.345 2.615 20 0 GFADRO COC(=O)CC[C@H]([NH3+])C(=O)N1CC2(CCCC2)c2cc(Br)ccc21 ZINC000377531817 563478396 /nfs/dbraw/zinc/47/83/96/563478396.db2.gz YMQPBLNLZDNVKQ-AWEZNQCLSA-N 1 0 395.297 2.888 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1cnn(-c2cccc(Br)c2)c1 ZINC000377575001 563479387 /nfs/dbraw/zinc/47/93/87/563479387.db2.gz JSHAHJRPTGEZPJ-CVEARBPZSA-N 1 0 389.297 2.991 20 0 GFADRO CC(C)N1CC[C@H](NS(=O)(=O)N2CCCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000329439159 563480098 /nfs/dbraw/zinc/48/00/98/563480098.db2.gz JWIGOQIBYAGUIL-IRXDYDNUSA-N 1 0 389.924 2.933 20 0 GFADRO OC[C@@H]1C[C@@H](O)C[N@@H+]1[C@H](Cc1ccccn1)c1ccc(Br)cc1 ZINC000377614623 563480830 /nfs/dbraw/zinc/48/08/30/563480830.db2.gz JFSCYUJICQYQRS-RCCFBDPRSA-N 1 0 377.282 2.555 20 0 GFADRO COCC[C@H](Cc1cccc(Br)c1)C(=O)N1CCC(C[NH3+])CC1 ZINC000428126678 563483419 /nfs/dbraw/zinc/48/34/19/563483419.db2.gz UMWDHPLNQYVTMN-MRXNPFEDSA-N 1 0 383.330 2.842 20 0 GFADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)/C=C/c3ccc(Br)s3)CC2)C1 ZINC000377737862 563485047 /nfs/dbraw/zinc/48/50/47/563485047.db2.gz DPXIDXAUNBKUFO-DYLGSBMWSA-N 1 0 398.370 2.762 20 0 GFADRO O=C(CC[N@H+]1CCOC[C@@H]1[C@@H]1CCC[C@H]1O)Nc1cccc(Br)c1 ZINC000284674482 563485184 /nfs/dbraw/zinc/48/51/84/563485184.db2.gz DXEKSRSDBMILIY-GVDBMIGSSA-N 1 0 397.313 2.640 20 0 GFADRO CN(C(=O)[C@@H]1CCN(c2cc(Cl)ccc2Cl)C1=O)[C@@H]1CCC[NH2+]CC1 ZINC000377848342 563488630 /nfs/dbraw/zinc/48/86/30/563488630.db2.gz WJJJLXVIORPNEE-KGLIPLIRSA-N 1 0 384.307 2.947 20 0 GFADRO C[C@@]12CC[N@H+](CCC(=O)Nc3sccc3C(N)=O)C[C@@H]1C2(Cl)Cl ZINC000284769028 563489680 /nfs/dbraw/zinc/48/96/80/563489680.db2.gz MORADVRZWOHFIC-IINYFYTJSA-N 1 0 376.309 2.691 20 0 GFADRO C[C@@H]1CN(C(=O)C[NH2+][C@@H](c2cncc(Br)c2)C2CC2)C[C@H](C)O1 ZINC000284822116 563490990 /nfs/dbraw/zinc/49/09/90/563490990.db2.gz PXKCOTHYOJKPGB-BWACUDIHSA-N 1 0 382.302 2.521 20 0 GFADRO C[NH2+][C@H]1CCN(C(=O)c2ccc(OCc3cc(C)no3)c(Br)c2)C1 ZINC000428422779 563491310 /nfs/dbraw/zinc/49/13/10/563491310.db2.gz OCVUIUNCOJMKKD-ZDUSSCGKSA-N 1 0 394.269 2.758 20 0 GFADRO C[N@@H+]1CC[C@@H]2CCN(S(=O)(=O)c3ccc(Cl)c(Br)c3)[C@H]2C1 ZINC000428426324 563492293 /nfs/dbraw/zinc/49/22/93/563492293.db2.gz XPVZMSIGEURXIX-YGRLFVJLSA-N 1 0 393.734 2.817 20 0 GFADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@H]1CCO[C@@]2(CCSC2)C1 ZINC000428465717 563493172 /nfs/dbraw/zinc/49/31/72/563493172.db2.gz XNXLJWMLHJGJRL-INWMFGNUSA-N 1 0 387.343 2.644 20 0 GFADRO CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)Cc3ccccc3Br)C2)CC1 ZINC000378113427 563497070 /nfs/dbraw/zinc/49/70/70/563497070.db2.gz QSHZNOYYYFVLPR-QGZVFWFLSA-N 1 0 394.357 2.619 20 0 GFADRO O=C(c1cc2c(c(Br)c1)OCO2)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000378225430 563499025 /nfs/dbraw/zinc/49/90/25/563499025.db2.gz JXBRQCOUAOLCOV-RISCZKNCSA-N 1 0 381.270 2.782 20 0 GFADRO Cc1sc(Br)cc1S(=O)(=O)N(C1CC1)C1CC[NH2+]CC1 ZINC000378252178 563500306 /nfs/dbraw/zinc/50/03/06/563500306.db2.gz NOYWJYFLZOHTDL-UHFFFAOYSA-N 1 0 379.345 2.724 20 0 GFADRO OC[C@H]1CCC[N@@H+]1C[C@H]1CCCN1Cc1cnc2ccc(Br)cn12 ZINC000378330588 563502508 /nfs/dbraw/zinc/50/25/08/563502508.db2.gz BLXIROYLWXMQDK-HZPDHXFCSA-N 1 0 393.329 2.518 20 0 GFADRO C[NH+](C)Cc1cccc(NC(=O)C(=O)N2CC[C@]3(C)[C@H](C2)C3(Cl)Cl)c1 ZINC000285139610 563505152 /nfs/dbraw/zinc/50/51/52/563505152.db2.gz IYEYASJNEYCUCW-WMLDXEAASA-N 1 0 384.307 2.729 20 0 GFADRO C[C@H]([NH2+]C[C@@H]1CCN(C)[C@H]1c1cccs1)c1ccc(S(N)(=O)=O)cc1 ZINC000378434673 563506623 /nfs/dbraw/zinc/50/66/23/563506623.db2.gz SZYCSFSBYJXOFV-DHSIGJKJSA-N 1 0 379.551 2.739 20 0 GFADRO Cc1nn2c(C[NH2+][C@@H]3CCC(=O)N(C)[C@@H]3c3cccs3)c(C)nc2s1 ZINC000378448662 563507908 /nfs/dbraw/zinc/50/79/08/563507908.db2.gz DEGBFKWAZTYGOW-WBMJQRKESA-N 1 0 375.523 2.921 20 0 GFADRO CCOCCNC(=O)C[NH2+][C@@H](c1cc(Cl)ccc1Cl)[C@@H]1CCOC1 ZINC000378493526 563509341 /nfs/dbraw/zinc/50/93/41/563509341.db2.gz IJFLSXMTLYHRRX-SJKOYZFVSA-N 1 0 375.296 2.813 20 0 GFADRO C[C@H](Oc1ccc(Cl)cc1Br)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000429119375 563510266 /nfs/dbraw/zinc/51/02/66/563510266.db2.gz YPKJFWGMVXNCAT-WDEREUQCSA-N 1 0 375.694 2.986 20 0 GFADRO Cc1cc(C(=O)N2CC[C@@H]([NH3+])[C@H](C)C2)nn1-c1ccc(Br)cc1 ZINC000429183269 563511542 /nfs/dbraw/zinc/51/15/42/563511542.db2.gz NZXJRQIQLBHIQP-IAQYHMDHSA-N 1 0 377.286 2.753 20 0 GFADRO CC1(C)Cc2ccc(Br)cc2[C@@H]1[NH2+]C[C@H](O)CN1CCCC1=O ZINC000429312403 563514117 /nfs/dbraw/zinc/51/41/17/563514117.db2.gz WORBCFWAAHQBLS-YOEHRIQHSA-N 1 0 381.314 2.645 20 0 GFADRO Oc1cccc2c1C[C@H]([NH2+]C[C@@H](O)COc1ccc(Br)cc1)C2 ZINC000429301892 563514179 /nfs/dbraw/zinc/51/41/79/563514179.db2.gz OZUPWYDUUXSCSS-HUUCEWRRSA-N 1 0 378.266 2.651 20 0 GFADRO C[NH2+]C1CCN(C(=O)[C@H](c2ccc(Cl)cc2Cl)N2CCOCC2)CC1 ZINC000429411138 563516151 /nfs/dbraw/zinc/51/61/51/563516151.db2.gz VXGMKMOMPKFLJZ-KRWDZBQOSA-N 1 0 386.323 2.577 20 0 GFADRO COC(=O)C1CCC([NH2+]C[C@H](CO)Cc2ccc(Br)cc2)CC1 ZINC000429417315 563516365 /nfs/dbraw/zinc/51/63/65/563516365.db2.gz MYBUYTSWRDGRGR-HPUBIQBYSA-N 1 0 384.314 2.922 20 0 GFADRO Cc1nc(-c2cc([C@@H](C)[NH2+]CCNS(=O)(=O)NC(C)C)cs2)cs1 ZINC000429446933 563517090 /nfs/dbraw/zinc/51/70/90/563517090.db2.gz HCHDBWCTGNGSEA-LLVKDONJSA-N 1 0 388.584 2.663 20 0 GFADRO C[N@H+](CCCNC(=O)C1CCC1)Cc1cc2c(c(Br)c1)OCO2 ZINC000429540445 563518393 /nfs/dbraw/zinc/51/83/93/563518393.db2.gz MDRIWUJQTMWDBH-UHFFFAOYSA-N 1 0 383.286 2.916 20 0 GFADRO CCC[NH+]1CCC(NC(=O)C(C)(C)S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000330758531 563520309 /nfs/dbraw/zinc/52/03/09/563520309.db2.gz YOUBLSAEHQWGOF-UHFFFAOYSA-N 1 0 386.945 2.883 20 0 GFADRO CCCC[C@H](C[NH3+])NC(=O)CCNC(=O)Nc1ccc(Br)cc1 ZINC000429629776 563520507 /nfs/dbraw/zinc/52/05/07/563520507.db2.gz SYEPPRVBMHWNPR-CQSZACIVSA-N 1 0 385.306 2.594 20 0 GFADRO CCS(=O)(=O)NCC[NH2+][C@H]1CCN(C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000429766567 563522034 /nfs/dbraw/zinc/52/20/34/563522034.db2.gz CVVGPJXVIKEQPT-IRXDYDNUSA-N 1 0 391.940 2.532 20 0 GFADRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)c1ccc(Br)cc1Br ZINC000389741740 563522198 /nfs/dbraw/zinc/52/21/98/563522198.db2.gz ZZCQHDSHMBFJNA-UFBFGSQYSA-N 1 0 376.092 2.939 20 0 GFADRO C[N@@H+]1CC[C@H]2CCN(S(=O)(=O)c3cc(Cl)ccc3Br)[C@H]2C1 ZINC000429819647 563523462 /nfs/dbraw/zinc/52/34/62/563523462.db2.gz JLEQSPYHMOOLIP-GWCFXTLKSA-N 1 0 393.734 2.817 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2S(=O)(=O)c1ccc(Cl)cc1Cl ZINC000429830797 563524151 /nfs/dbraw/zinc/52/41/51/563524151.db2.gz SQPHQKZKXVRMHP-VHDGCEQUSA-N 1 0 393.336 2.866 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2S(=O)(=O)c1ccc(Cl)cc1Cl ZINC000429830801 563524357 /nfs/dbraw/zinc/52/43/57/563524357.db2.gz SQPHQKZKXVRMHP-YUELXQCFSA-N 1 0 393.336 2.866 20 0 GFADRO N#Cc1ccc(OC[C@@H](O)C[NH2+]CCc2ccc(Br)cc2)cc1 ZINC000391810460 563525601 /nfs/dbraw/zinc/52/56/01/563525601.db2.gz JBPQQAGTDCCCAJ-KRWDZBQOSA-N 1 0 375.266 2.893 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N2CCC[C@@H]([NH+](C)C)CC2)c(Br)c1 ZINC000429866434 563526643 /nfs/dbraw/zinc/52/66/43/563526643.db2.gz NSEXXAPFZIKTAF-CQSZACIVSA-N 1 0 396.329 2.947 20 0 GFADRO O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000393029224 563527756 /nfs/dbraw/zinc/52/77/56/563527756.db2.gz JCJJUCKWRPUJQD-GJZGRUSLSA-N 1 0 378.416 2.880 20 0 GFADRO C[C@H]([NH2+]CC1(S(C)(=O)=O)CCCC1)c1cc(Br)ncc1F ZINC000285584597 563527830 /nfs/dbraw/zinc/52/78/30/563527830.db2.gz HMBVGKJMQOIOFC-JTQLQIEISA-N 1 0 379.295 2.991 20 0 GFADRO Cc1cc(C(=O)NC[C@](C)(O)CC[NH+](C)C)c2cc(Br)ccc2n1 ZINC000429910741 563529016 /nfs/dbraw/zinc/52/90/16/563529016.db2.gz PYYJTOFVWUALQW-GOSISDBHSA-N 1 0 394.313 2.738 20 0 GFADRO NC(=O)C1CCC([NH2+]Cc2c(Br)cncc2Br)CC1 ZINC000394641116 563530330 /nfs/dbraw/zinc/53/03/30/563530330.db2.gz QLBGMDRZRCTPTD-UHFFFAOYSA-N 1 0 391.107 2.740 20 0 GFADRO OC1(CC[NH2+]Cc2nc(-c3ccc(Br)cc3)c[nH]2)CCOCC1 ZINC000285648603 563530898 /nfs/dbraw/zinc/53/08/98/563530898.db2.gz YFRQQCWCMQMZPB-UHFFFAOYSA-N 1 0 380.286 2.860 20 0 GFADRO C[C@H](NC(=O)c1csc(I)c1)C1CC[NH+](C)CC1 ZINC000396475640 563531030 /nfs/dbraw/zinc/53/10/30/563531030.db2.gz DZDCRUUTXUCPKC-VIFPVBQESA-N 1 0 378.279 2.813 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1CCNC(=O)Nc1cc2ccc(Br)cn2n1 ZINC000429981683 563531154 /nfs/dbraw/zinc/53/11/54/563531154.db2.gz ITSSIRNKAUUQNU-GFCCVEGCSA-N 1 0 380.290 3.093 20 0 GFADRO Cc1sc(Br)cc1S(=O)(=O)N1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000397287801 563532004 /nfs/dbraw/zinc/53/20/04/563532004.db2.gz VHDRQMSPKSYWQU-YWVKMMECSA-N 1 0 381.361 2.813 20 0 GFADRO CCN(C(=O)[C@H]1C[NH2+]CCO1)[C@H]1CCSc2ccc(Br)cc21 ZINC000430107367 563533089 /nfs/dbraw/zinc/53/30/89/563533089.db2.gz SVMIVCCCPSJBND-UONOGXRCSA-N 1 0 385.327 2.823 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@@H](NS(=O)(=O)c2ccc(OCC(F)(F)F)cc2)C1 ZINC000331100896 563535006 /nfs/dbraw/zinc/53/50/06/563535006.db2.gz FTZFFGKEQMDTIB-CHWSQXEVSA-N 1 0 380.432 2.779 20 0 GFADRO CC[C@@H](C(=O)NC[C@@H](CO)Cc1ccc(Br)cc1)[NH+](CC)CC ZINC000430135885 563535403 /nfs/dbraw/zinc/53/54/03/563535403.db2.gz HDDIGRYKDDYTBT-RDJZCZTQSA-N 1 0 385.346 2.837 20 0 GFADRO C[NH2+]Cc1ccccc1CNS(=O)(=O)c1ccc(OC)c(Br)c1 ZINC000404692576 563537327 /nfs/dbraw/zinc/53/73/27/563537327.db2.gz QGWPAKPWHGSIFE-UHFFFAOYSA-N 1 0 399.310 2.656 20 0 GFADRO CCC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(C)c(Br)c2)CC1 ZINC000331260028 563542157 /nfs/dbraw/zinc/54/21/57/563542157.db2.gz AHVVVPDINAUUMA-UHFFFAOYSA-N 1 0 382.302 2.687 20 0 GFADRO COCC[C@]1(C(=O)N[C@H](C)Cc2ccc(F)c(Br)c2)CC[NH2+]C1 ZINC000430427843 563543084 /nfs/dbraw/zinc/54/30/84/563543084.db2.gz PBNIHZOWUQQAEV-SJKOYZFVSA-N 1 0 387.293 2.652 20 0 GFADRO Cc1c(C(=O)N2C[C@@H](C)N(C)C[C@H]2C)nnn1-c1cccc(Br)c1 ZINC000408073447 563543428 /nfs/dbraw/zinc/54/34/28/563543428.db2.gz UAXHYYXQWVQPID-VXGBXAGGSA-N 1 0 392.301 2.503 20 0 GFADRO CCOC(=O)c1sc2ccsc2c1CNC(=O)C[NH2+]C[C@H]1CCCO1 ZINC000430527467 563544531 /nfs/dbraw/zinc/54/45/31/563544531.db2.gz JTSZNJYAHAFSEM-LLVKDONJSA-N 1 0 382.507 2.524 20 0 GFADRO C[C@H]([NH2+]CC1(c2ccc(Br)cc2)CCOCC1)c1ccc(=O)[nH]n1 ZINC000285982678 563544630 /nfs/dbraw/zinc/54/46/30/563544630.db2.gz HSFACCBCCZYRLG-ZDUSSCGKSA-N 1 0 392.297 2.931 20 0 GFADRO CCS[C@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000285994323 563545018 /nfs/dbraw/zinc/54/50/18/563545018.db2.gz FZDKDZPJLULFNO-KBPBESRZSA-N 1 0 392.493 2.885 20 0 GFADRO Cc1cc(Br)cc(C)c1N1CCC[C@@H](NC(=O)N[C@@H]2CC[NH2+]C2)C1 ZINC000331380528 563548002 /nfs/dbraw/zinc/54/80/02/563548002.db2.gz GIFCBXHAWTXUFD-HZPDHXFCSA-N 1 0 395.345 2.696 20 0 GFADRO C[C@@H]([NH2+]CC1(C(F)F)CC1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430732617 563548232 /nfs/dbraw/zinc/54/82/32/563548232.db2.gz GQQCTDJMGODQBW-MRVPVSSYSA-N 1 0 383.258 2.792 20 0 GFADRO [NH3+]CC[C@H]1CCCCN1C(=O)Cc1csc(NC(=O)c2cccs2)n1 ZINC000286084629 563548601 /nfs/dbraw/zinc/54/86/01/563548601.db2.gz MXGFFWIXPZDDJI-CYBMUJFWSA-N 1 0 378.523 2.729 20 0 GFADRO C[C@@H](NC(=O)C[NH2+]CC1CC1)c1nc(-c2ccc(Br)cc2)no1 ZINC000430855102 563549607 /nfs/dbraw/zinc/54/96/07/563549607.db2.gz QGOIYOODALDHCX-SNVBAGLBSA-N 1 0 379.258 2.676 20 0 GFADRO C[C@H]([NH3+])C1CCN(CC(=O)Nc2c(F)cc(F)cc2Br)CC1 ZINC000430942435 563550152 /nfs/dbraw/zinc/55/01/52/563550152.db2.gz LVEIJZSITNZKSW-VIFPVBQESA-N 1 0 376.245 2.725 20 0 GFADRO CN(C(=O)CNC(=O)c1ccc(Cl)c(Cl)c1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000286156494 563551279 /nfs/dbraw/zinc/55/12/79/563551279.db2.gz JAVJCTZQJIFONF-PBWFPOADSA-N 1 0 384.307 2.807 20 0 GFADRO Cc1cc(NC(=O)[C@H](C)N2C[C@@H](C)O[C@@]3(CCOC3)C2)ccc1Br ZINC000408350132 563552033 /nfs/dbraw/zinc/55/20/33/563552033.db2.gz YCVYYHFQTHLGRU-GLJUWKHASA-N 1 0 397.313 2.964 20 0 GFADRO COCC[NH+](CCOC)C1CCN(C(=O)CCc2ccc(Cl)s2)CC1 ZINC000286220705 563552907 /nfs/dbraw/zinc/55/29/07/563552907.db2.gz LQSAGQXVWCKAOL-UHFFFAOYSA-N 1 0 388.961 2.920 20 0 GFADRO O[C@H](COc1cccc(Br)c1)C[N@@H+]1CC[C@H](Oc2ccncc2)C1 ZINC000431159482 563554851 /nfs/dbraw/zinc/55/48/51/563554851.db2.gz OWVKFOQQHYIEBA-YJBOKZPZSA-N 1 0 393.281 2.737 20 0 GFADRO CCc1nc(NC(=O)C2CC[NH+]([C@H]3CCSC3)CC2)sc1C(=O)OC ZINC000331624430 563555933 /nfs/dbraw/zinc/55/59/33/563555933.db2.gz FZGXBMTZKBWVIH-LBPRGKRZSA-N 1 0 383.539 2.648 20 0 GFADRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(S(=O)(=O)c2cc(Cl)cnc2N)C1 ZINC000408436826 563555982 /nfs/dbraw/zinc/55/59/82/563555982.db2.gz KCVAAVCWWHHMTI-KBPBESRZSA-N 1 0 386.949 2.592 20 0 GFADRO CCS(=O)(=O)CCCCC[NH2+][C@@](C)(CO)c1ccc(Br)cc1 ZINC000286578700 563566020 /nfs/dbraw/zinc/56/60/20/563566020.db2.gz QCEWTWLNCXPEHZ-INIZCTEOSA-N 1 0 392.359 2.851 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)c(Br)c1 ZINC000431705640 563566634 /nfs/dbraw/zinc/56/66/34/563566634.db2.gz BCHSCIIBIHDEHM-ZIAGYGMSSA-N 1 0 396.329 2.993 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)c(Br)c1 ZINC000431702501 563566701 /nfs/dbraw/zinc/56/67/01/563566701.db2.gz NEDJAUIJOHSVBJ-QWHCGFSZSA-N 1 0 382.302 2.603 20 0 GFADRO COc1cc(Cl)c(S(=O)(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)cc1OC ZINC000331922239 563567546 /nfs/dbraw/zinc/56/75/46/563567546.db2.gz JTTOAMBGAKKAAD-GFCCVEGCSA-N 1 0 388.917 2.652 20 0 GFADRO Cc1cc([C@H](C)[NH2+]C[C@H]2CCN(S(C)(=O)=O)C2)sc1Br ZINC000286645388 563568410 /nfs/dbraw/zinc/56/84/10/563568410.db2.gz TXSZKLPGWKWCJG-WDEREUQCSA-N 1 0 381.361 2.751 20 0 GFADRO C[C@H](NC(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1ncc(Br)cn1 ZINC000431822025 563569496 /nfs/dbraw/zinc/56/94/96/563569496.db2.gz MKRNRLFBONLBKE-MCIONIFRSA-N 1 0 398.349 2.967 20 0 GFADRO C[C@H](NC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)c1ncc(Br)cn1 ZINC000431948731 563571192 /nfs/dbraw/zinc/57/11/92/563571192.db2.gz AIAHVVSDINEZOK-AAEUAGOBSA-N 1 0 386.338 2.966 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N2CCC[N@@H+](C(C)C)CC2)c(Br)c1 ZINC000431953436 563572405 /nfs/dbraw/zinc/57/24/05/563572405.db2.gz IYSVNWBAPIBQKY-UHFFFAOYSA-N 1 0 396.329 2.947 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)c(Br)c1 ZINC000431988465 563572786 /nfs/dbraw/zinc/57/27/86/563572786.db2.gz XOLXTIAOXPWXBO-KBPBESRZSA-N 1 0 394.313 2.747 20 0 GFADRO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)Nc1c(C)cc(C)cc1Br ZINC000432001636 563573154 /nfs/dbraw/zinc/57/31/54/563573154.db2.gz YOAKAVQQHNIQBO-CYBMUJFWSA-N 1 0 384.318 2.851 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccn(-c2ccc(Br)cc2)n1 ZINC000432022323 563573718 /nfs/dbraw/zinc/57/37/18/563573718.db2.gz YGQJUDDSVCPSQA-WBVHZDCISA-N 1 0 389.297 2.991 20 0 GFADRO CC1(CNC(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)CC[NH2+]CC1 ZINC000332065578 563574196 /nfs/dbraw/zinc/57/41/96/563574196.db2.gz RRQYXDFWJLGCFW-UHFFFAOYSA-N 1 0 386.327 2.610 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000332092335 563575454 /nfs/dbraw/zinc/57/54/54/563575454.db2.gz BZDWMZDCTKDGBZ-HNNXBMFYSA-N 1 0 394.313 2.783 20 0 GFADRO C[C@H](O)C[N@H+](C)C1CCN(C(=O)[C@H](C)Oc2ccc(Br)cc2)CC1 ZINC000409964998 563576785 /nfs/dbraw/zinc/57/67/85/563576785.db2.gz UIUPDNXWOBNBGW-KBPBESRZSA-N 1 0 399.329 2.520 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N2CCc3c(Cl)cc(Cl)cc3[C@@H]2C)C1 ZINC000332106151 563577085 /nfs/dbraw/zinc/57/70/85/563577085.db2.gz ARDUOYBOBSEMAZ-SRVKXCTJSA-N 1 0 384.307 2.635 20 0 GFADRO C[C@H](Oc1ccc(Br)cc1)C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000409989401 563577370 /nfs/dbraw/zinc/57/73/70/563577370.db2.gz ULWCJQUVEJWKFF-CABCVRRESA-N 1 0 399.329 2.834 20 0 GFADRO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N1CCN(C(=O)c2cccc(Cl)c2Cl)CC1 ZINC000332134028 563578282 /nfs/dbraw/zinc/57/82/82/563578282.db2.gz PIBQYXULBKIRCZ-STQMWFEESA-N 1 0 384.307 2.666 20 0 GFADRO CSc1ccc(S(=O)(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)cc1Cl ZINC000432294953 563579273 /nfs/dbraw/zinc/57/92/73/563579273.db2.gz FWGJGIGQZYTCIT-CYBMUJFWSA-N 1 0 392.974 2.841 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N2CCc3cc(Cl)c(Cl)cc3[C@@H]2C)C1 ZINC000332146220 563580021 /nfs/dbraw/zinc/58/00/21/563580021.db2.gz KPHCONXRSAOJHP-GVXVVHGQSA-N 1 0 384.307 2.635 20 0 GFADRO COC(=O)c1cccc(NC(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)c1Br ZINC000332229543 563585849 /nfs/dbraw/zinc/58/58/49/563585849.db2.gz DAJXRZSQBAGWAN-FZMZJTMJSA-N 1 0 396.285 2.794 20 0 GFADRO CN(CC1CC[NH+](C)CC1)S(=O)(=O)Cc1cccc(Br)c1 ZINC000287079588 563586230 /nfs/dbraw/zinc/58/62/30/563586230.db2.gz XZDDULURLJPODV-UHFFFAOYSA-N 1 0 375.332 2.553 20 0 GFADRO C[C@H]1CN(Cc2nc3ccc(Br)cc3o2)CC[N@@H+]1CC(C)(C)O ZINC000332242017 563586251 /nfs/dbraw/zinc/58/62/51/563586251.db2.gz PMSAQUAMDQULQW-LBPRGKRZSA-N 1 0 382.302 2.867 20 0 GFADRO Cc1cc(NC(=O)C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)ccc1Br ZINC000332253090 563587749 /nfs/dbraw/zinc/58/77/49/563587749.db2.gz CSTYWBRVBAFGSJ-OAHLLOKOSA-N 1 0 394.313 2.783 20 0 GFADRO C[C@@H]([NH3+])C1CCN(C(=O)N[C@H]2COc3cc(F)c(Br)cc32)CC1 ZINC000332261784 563588249 /nfs/dbraw/zinc/58/82/49/563588249.db2.gz NVXIEDORXBOZEV-OTYXRUKQSA-N 1 0 386.265 2.791 20 0 GFADRO C[C@@H]1CCN(C(=O)N[C@H]2COc3cc(F)c(Br)cc32)C[C@H]1C[NH3+] ZINC000332265062 563588778 /nfs/dbraw/zinc/58/87/78/563588778.db2.gz FIMYUSAPXZDNOB-RULNRJAQSA-N 1 0 386.265 2.648 20 0 GFADRO CC(C)SCC[NH2+][C@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000287154048 563589746 /nfs/dbraw/zinc/58/97/46/563589746.db2.gz SWAYATOJYLPNJS-SNVBAGLBSA-N 1 0 381.361 2.889 20 0 GFADRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)C1(c2cncc(Br)c2)CC1 ZINC000287173740 563590360 /nfs/dbraw/zinc/59/03/60/563590360.db2.gz OHTYQILJHYMPEX-CJNGLKHVSA-N 1 0 378.314 2.961 20 0 GFADRO C[C@@H]1CCN(C(=O)N[C@@H]2COc3cc(F)c(Br)cc32)[C@H](C[NH3+])C1 ZINC000332316112 563592478 /nfs/dbraw/zinc/59/24/78/563592478.db2.gz NPEBGEYBQHHKIK-ISTVAULSSA-N 1 0 386.265 2.791 20 0 GFADRO C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@H]2CCSc3ccc(Cl)cc32)[C@H](C)C1 ZINC000332326835 563593826 /nfs/dbraw/zinc/59/38/26/563593826.db2.gz JGMGDTYTWFQPLQ-WWGRRREGSA-N 1 0 383.945 2.973 20 0 GFADRO C[C@@H]1CN(C(=O)NC[C@@H]2CCN(c3cccc(Br)c3)C2)CC[C@H]1[NH3+] ZINC000332353124 563594955 /nfs/dbraw/zinc/59/49/55/563594955.db2.gz RCJKGLBBEMFKPK-JKIFEVAISA-N 1 0 395.345 2.654 20 0 GFADRO C[C@@H]1CCN(C(=O)N[C@H]2CCOc3ccc(Br)cc32)C[C@H]1C[NH3+] ZINC000332356797 563595178 /nfs/dbraw/zinc/59/51/78/563595178.db2.gz OASXPWMGACENNJ-JMSVASOKSA-N 1 0 382.302 2.899 20 0 GFADRO COc1cc(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)cc(Br)c1OC ZINC000332351892 563595192 /nfs/dbraw/zinc/59/51/92/563595192.db2.gz UZTRJPBRSBLEAF-UONOGXRCSA-N 1 0 383.286 2.823 20 0 GFADRO C[C@H]1C[N@H+](CCCNc2cc(Br)cc(F)c2C(N)=O)CCCO1 ZINC000432864897 563595542 /nfs/dbraw/zinc/59/55/42/563595542.db2.gz IXTRVGNZYRKWML-NSHDSACASA-N 1 0 388.281 2.600 20 0 GFADRO C[C@@H]1C[C@H](C)N(C(=O)c2cc(Br)c3c(c2)OCCO3)C[C@@H]1C[NH3+] ZINC000332523539 563603394 /nfs/dbraw/zinc/60/33/94/563603394.db2.gz NLTYIXQCIRPRNV-MDZLAQPJSA-N 1 0 383.286 2.666 20 0 GFADRO CC(C)[C@H](C[NH3+])C(=O)N(C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000433126793 563604190 /nfs/dbraw/zinc/60/41/90/563604190.db2.gz PUURULCUBICNCJ-NSHDSACASA-N 1 0 379.810 2.987 20 0 GFADRO CNS(=O)(=O)c1cccc([C@H](C)[NH2+]C[C@@H](O)Cc2cccc(Cl)c2)c1 ZINC000287559367 563607195 /nfs/dbraw/zinc/60/71/95/563607195.db2.gz BCJXBOKDRVFGDF-GUYCJALGSA-N 1 0 382.913 2.502 20 0 GFADRO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)Nc1ccc(Br)c(F)c1 ZINC000332613346 563607237 /nfs/dbraw/zinc/60/72/37/563607237.db2.gz RQHKHFJCRZJHHW-OLZOCXBDSA-N 1 0 398.276 2.612 20 0 GFADRO C[C@H](C(=O)Nc1cccc(Br)c1)[N@@H+]1CC[C@H](C(=O)N2CCCC2)C1 ZINC000287571958 563607903 /nfs/dbraw/zinc/60/79/03/563607903.db2.gz XLMNTIGXZYRJDX-KGLIPLIRSA-N 1 0 394.313 2.720 20 0 GFADRO CC(C)NC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@H](Cc2ccc(Br)cc2)C1 ZINC000433295559 563609094 /nfs/dbraw/zinc/60/90/94/563609094.db2.gz DOIMZRFXYVQDFD-UKRRQHHQSA-N 1 0 396.329 2.936 20 0 GFADRO C[C@H]1C[N@H+](CCCNC(=O)NCc2ccccc2Br)CCCO1 ZINC000433339157 563610284 /nfs/dbraw/zinc/61/02/84/563610284.db2.gz KCXRKLWJLYJKAA-AWEZNQCLSA-N 1 0 384.318 2.749 20 0 GFADRO Cc1cc(Br)c(NC(=O)C(=O)NCC[N@@H+](C)C(C)C)cc1Cl ZINC000411237758 563611454 /nfs/dbraw/zinc/61/14/54/563611454.db2.gz BLURZKRWHRLJIN-UHFFFAOYSA-N 1 0 390.709 2.806 20 0 GFADRO CC(C)[N@H+](C)CCNC(=O)C(=O)N[C@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000411238404 563611713 /nfs/dbraw/zinc/61/17/13/563611713.db2.gz JHNWRDUYYOHTSR-CYBMUJFWSA-N 1 0 379.810 2.516 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)N[C@H]2CCN(c3cccc(Br)c3)C2)C1 ZINC000332690527 563611819 /nfs/dbraw/zinc/61/18/19/563611819.db2.gz QTHUCPLVIQPWOE-LZWOXQAQSA-N 1 0 395.345 2.797 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)N[C@@H]2CCN(c3cccc(Br)c3)C2)C1 ZINC000332690534 563611822 /nfs/dbraw/zinc/61/18/22/563611822.db2.gz QTHUCPLVIQPWOE-OFQRWUPVSA-N 1 0 395.345 2.797 20 0 GFADRO O=C(N[C@H]1CCc2c1ccc(Cl)c2Cl)c1ncn([C@@H]2CCC[NH2+]C2)n1 ZINC000433412442 563612400 /nfs/dbraw/zinc/61/24/00/563612400.db2.gz UAKKGXJJKLDPSO-YGRLFVJLSA-N 1 0 380.279 2.927 20 0 GFADRO Cc1oc(-c2ccsc2)nc1CN1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC000333056670 563618819 /nfs/dbraw/zinc/61/88/19/563618819.db2.gz RLRUOFWHGNWZAY-HNNXBMFYSA-N 1 0 381.523 2.711 20 0 GFADRO CCOC(=O)[C@@H]1CCCN(C(=O)C[NH2+][C@H](C)c2ccc(Br)cc2)C1 ZINC000411435175 563619623 /nfs/dbraw/zinc/61/96/23/563619623.db2.gz BPXXLAZBJPYLPC-UKRRQHHQSA-N 1 0 397.313 2.901 20 0 GFADRO CCN(CCC[NH+](C)C)C(=O)C(=O)Nc1nc(-c2ccc(C)s2)cs1 ZINC000287889002 563621695 /nfs/dbraw/zinc/62/16/95/563621695.db2.gz MWUDLSFUDQHQTQ-UHFFFAOYSA-N 1 0 380.539 2.919 20 0 GFADRO C[C@H](Cc1ccc(F)c(Br)c1)NC(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000333149510 563622017 /nfs/dbraw/zinc/62/20/17/563622017.db2.gz FBRMZYAZHCBVMD-QZDOHJIMSA-N 1 0 384.293 2.898 20 0 GFADRO O=C(Nc1cc(Br)ccc1-n1cccn1)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000333171595 563622627 /nfs/dbraw/zinc/62/26/27/563622627.db2.gz NVPLGLSHYLXCHD-STQMWFEESA-N 1 0 390.285 2.708 20 0 GFADRO C[C@H](O)C[N@@H+]1CCN(Cc2c(F)c(F)c(Br)c(F)c2F)[C@@H](C)C1 ZINC000411576711 563624530 /nfs/dbraw/zinc/62/45/30/563624530.db2.gz XZZYAMAOAUIJAF-IUCAKERBSA-N 1 0 399.226 2.892 20 0 GFADRO COCCC[NH+]1CCC(NC(=O)NCc2cc(F)c(Cl)cc2F)CC1 ZINC000434090691 563625256 /nfs/dbraw/zinc/62/52/56/563625256.db2.gz ALJZKJQDEYNGMZ-UHFFFAOYSA-N 1 0 375.847 2.918 20 0 GFADRO [NH3+][C@H]1CCCO[C@@H]1C1CCN(C(=O)Cc2ccc(F)c(Br)c2)CC1 ZINC000333268732 563626089 /nfs/dbraw/zinc/62/60/89/563626089.db2.gz KBQNQUKUYZXWOT-FUHWJXTLSA-N 1 0 399.304 2.876 20 0 GFADRO C[C@@H](CO)[N@@H+]1CCCN(Cc2c(F)c(F)c(Br)c(F)c2F)CC1 ZINC000411619751 563626418 /nfs/dbraw/zinc/62/64/18/563626418.db2.gz OOGNKHCEEDPUNQ-VIFPVBQESA-N 1 0 399.226 2.894 20 0 GFADRO O=C(Nc1nnc(-c2c(F)cccc2Cl)s1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000333375417 563629201 /nfs/dbraw/zinc/62/92/01/563629201.db2.gz VPMPIQXYHQQHQQ-INIZCTEOSA-N 1 0 381.864 3.215 20 0 GFADRO CN(C)c1cc(NC(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)ncc1Br ZINC000333363352 563629368 /nfs/dbraw/zinc/62/93/68/563629368.db2.gz TYRMJNFFODAUHS-INIZCTEOSA-N 1 0 382.306 2.518 20 0 GFADRO COCC[C@@H]([NH2+]CC(=O)NC[C@H]1CCCO1)c1ccc(Cl)c(Cl)c1 ZINC000411707608 563631047 /nfs/dbraw/zinc/63/10/47/563631047.db2.gz ZNZULBOTNPSIEU-CZUORRHYSA-N 1 0 375.296 2.956 20 0 GFADRO C[C@H]1C[C@@H](N2CCOCC2)CN1C(=O)NCc1sccc1Br ZINC000288152862 563631399 /nfs/dbraw/zinc/63/13/99/563631399.db2.gz NUWSKVLHXGBQJA-NWDGAFQWSA-N 1 0 388.331 2.515 20 0 GFADRO [NH3+][C@H]1CCCO[C@H]1C1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1 ZINC000333502124 563634781 /nfs/dbraw/zinc/63/47/81/563634781.db2.gz FNKOCUZCZBVDHR-BBRMVZONSA-N 1 0 393.336 2.900 20 0 GFADRO C[C@@H](C[NH+](C)C)NC(=O)C(=O)Nc1ccc(Br)c(Cl)c1Cl ZINC000288244774 563635006 /nfs/dbraw/zinc/63/50/06/563635006.db2.gz SKSSHSLPKBFSLD-ZETCQYMHSA-N 1 0 397.100 2.761 20 0 GFADRO O=C(N[C@H](c1cncc(Br)c1)C1CC1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000333528454 563635192 /nfs/dbraw/zinc/63/51/92/563635192.db2.gz HORVVBQNOZMOPG-BJJXKVORSA-N 1 0 379.302 2.546 20 0 GFADRO O=C(N[C@H]1COc2cc(F)c(Br)cc21)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000333590258 563636815 /nfs/dbraw/zinc/63/68/15/563636815.db2.gz AZAVXHPELVNWDJ-RSQPEXBXSA-N 1 0 398.276 2.709 20 0 GFADRO [NH3+][C@@H]1CCO[C@@H](C2CCN(S(=O)(=O)Cc3ccc(F)c(Cl)c3)CC2)C1 ZINC000333629915 563637441 /nfs/dbraw/zinc/63/74/41/563637441.db2.gz GKNVXPXHRWSTDG-RHSMWYFYSA-N 1 0 390.908 2.527 20 0 GFADRO O=C(c1cccc(Br)c1)N1CCC(n2ncc3c2C[NH2+]C3)CC1 ZINC000333646203 563637908 /nfs/dbraw/zinc/63/79/08/563637908.db2.gz YDRPSTFGFAOSPK-UHFFFAOYSA-N 1 0 375.270 2.726 20 0 GFADRO O=C(N[C@H]1COc2cc(F)c(Br)cc21)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000333741325 563640472 /nfs/dbraw/zinc/64/04/72/563640472.db2.gz IWUSIRCPUCDJQJ-YOEHRIQHSA-N 1 0 398.276 2.807 20 0 GFADRO Cc1c(Br)ccc(NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC3)C2)c1F ZINC000435018927 563641313 /nfs/dbraw/zinc/64/13/13/563641313.db2.gz ZHZVCRKGTHEGQC-GFCCVEGCSA-N 1 0 398.276 2.530 20 0 GFADRO [NH3+][C@@H]1CCCO[C@H]1C1CCN(S(=O)(=O)c2c(Cl)ccc(F)c2F)CC1 ZINC000333754564 563641385 /nfs/dbraw/zinc/64/13/85/563641385.db2.gz ZNINODCXCJVKCW-HIFRSBDPSA-N 1 0 394.871 2.525 20 0 GFADRO Cc1cc(Br)cn2c(C[N@@H+](C)[C@@H](C)CN3CCOCC3)cnc12 ZINC000435057320 563642371 /nfs/dbraw/zinc/64/23/71/563642371.db2.gz JZIPFVYTKGSARO-AWEZNQCLSA-N 1 0 381.318 2.558 20 0 GFADRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)N[C@@H]3C[C@H]3c3ccc(Br)c(F)c3)C[C@H]12 ZINC000333800056 563642670 /nfs/dbraw/zinc/64/26/70/563642670.db2.gz NYJZOEIXVVKXER-GWIBLVFBSA-N 1 0 382.277 2.823 20 0 GFADRO C[C@@H]1[C@@H](NC(=O)c2csc(S(C)(=O)=O)c2)CCN1Cc1ccccc1 ZINC000288446785 563643396 /nfs/dbraw/zinc/64/33/96/563643396.db2.gz YUGVKXZDOCOJFG-CJNGLKHVSA-N 1 0 378.519 2.544 20 0 GFADRO C[C@@H]1C[C@H](N(C)C(=O)C(C)(C)S(=O)(=O)c2ccc(Cl)cc2)CC[N@@H+]1C ZINC000288443713 563643505 /nfs/dbraw/zinc/64/35/05/563643505.db2.gz MFLKVRNKQRTYKJ-UKRRQHHQSA-N 1 0 386.945 2.833 20 0 GFADRO O=C(NC[C@@H]1C[NH2+]CCCO1)N1CCC(c2cccc(Br)c2)CC1 ZINC000333861155 563643904 /nfs/dbraw/zinc/64/39/04/563643904.db2.gz SCPKNRNMXADTGU-KRWDZBQOSA-N 1 0 396.329 2.717 20 0 GFADRO O=C(c1cc(=O)[nH]c2c(Br)cccc12)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000435241828 563646616 /nfs/dbraw/zinc/64/66/16/563646616.db2.gz WKMVEZDUJPSPOS-NSHDSACASA-N 1 0 376.254 2.669 20 0 GFADRO O=C(c1cc(Cl)ccc1I)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000435248456 563646734 /nfs/dbraw/zinc/64/67/34/563646734.db2.gz OORUXNJWMJNBAW-LLVKDONJSA-N 1 0 390.652 2.911 20 0 GFADRO O=C(N[C@H](CO)c1ccc(Br)cc1)C1CCN(CC(F)F)CC1 ZINC000288539319 563646839 /nfs/dbraw/zinc/64/68/39/563646839.db2.gz MAYYHGKQWOCIMA-CQSZACIVSA-N 1 0 391.256 2.576 20 0 GFADRO CC(C)(C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)S(=O)(=O)c1ccc(Cl)cc1 ZINC000288565241 563648025 /nfs/dbraw/zinc/64/80/25/563648025.db2.gz FXYIRYAOTAOJNO-CVEARBPZSA-N 1 0 384.929 2.635 20 0 GFADRO CC(C)C[C@H](CNC(=O)[C@H]1CC(=O)Nc2ccc(Br)cc21)[NH+](C)C ZINC000435508455 563652808 /nfs/dbraw/zinc/65/28/08/563652808.db2.gz VKMZGDRBRFZPLT-HIFRSBDPSA-N 1 0 396.329 2.967 20 0 GFADRO COC(=O)c1csc(S(=O)(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)c1 ZINC000435650147 563656246 /nfs/dbraw/zinc/65/62/46/563656246.db2.gz CYGOSJXYSHRFEW-OAHLLOKOSA-N 1 0 386.539 2.610 20 0 GFADRO CCc1c(C(=O)NC[C@H](C)[NH+](C)C)cnn1-c1ccc(Br)cc1 ZINC000412389383 563656520 /nfs/dbraw/zinc/65/65/20/563656520.db2.gz ZJPCZKXOGSNOAP-LBPRGKRZSA-N 1 0 379.302 2.877 20 0 GFADRO C[C@@H]1CCC[N@H+](CCNC(=O)[C@H]2CC(=O)Nc3ccc(Br)cc32)C1 ZINC000435852656 563659562 /nfs/dbraw/zinc/65/95/62/563659562.db2.gz YKVIYCPPEWXCCK-DOMZBBRYSA-N 1 0 394.313 2.723 20 0 GFADRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)NCCCn1cc(Br)cn1 ZINC000288913588 563661653 /nfs/dbraw/zinc/66/16/53/563661653.db2.gz WIPDZZBRBNAOHE-OAHLLOKOSA-N 1 0 386.338 2.552 20 0 GFADRO CCO[C@@H]1C[C@@](CO)([NH2+]Cc2cc3c(c(Br)c2)OCO3)C1(C)C ZINC000436384563 563669876 /nfs/dbraw/zinc/66/98/76/563669876.db2.gz GPXAGLROVIEQCJ-PBHICJAKSA-N 1 0 386.286 2.834 20 0 GFADRO O=S(=O)(Cc1cccc(Cl)c1)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000289258688 563672917 /nfs/dbraw/zinc/67/29/17/563672917.db2.gz UZMXTMBDCUKWBI-MSOLQXFVSA-N 1 0 386.945 2.527 20 0 GFADRO CO[C@@H](C[NH3+])C(=O)N[C@H](C)c1nc(-c2ccc(Br)cc2)cs1 ZINC000289473810 563675302 /nfs/dbraw/zinc/67/53/02/563675302.db2.gz BBZNHXIPMLOTTC-RNCFNFMXSA-N 1 0 384.299 2.724 20 0 GFADRO CCS(=O)(=O)NC1CC[NH+](C[C@H](C)c2cccc(Br)c2)CC1 ZINC000289554768 563678430 /nfs/dbraw/zinc/67/84/30/563678430.db2.gz YBCGUVGTPGBZNF-ZDUSSCGKSA-N 1 0 389.359 2.956 20 0 GFADRO CN(CCn1cc(Br)cn1)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000289599916 563680279 /nfs/dbraw/zinc/68/02/79/563680279.db2.gz AKJBDWJCROXDIO-UHFFFAOYSA-N 1 0 380.290 2.871 20 0 GFADRO COc1ccc(Br)cc1CC(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000289841295 563688817 /nfs/dbraw/zinc/68/88/17/563688817.db2.gz BUCJFALBEVHBQI-AWEZNQCLSA-N 1 0 381.314 2.848 20 0 GFADRO Cn1nc(C(F)(F)F)c(CN2CCC[C@@H](C[NH+]3CCOCC3)C2)c1Cl ZINC000360001235 563690535 /nfs/dbraw/zinc/69/05/35/563690535.db2.gz VIGVTFBGKMHIKQ-LBPRGKRZSA-N 1 0 380.842 2.637 20 0 GFADRO CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H](c1cc(Cl)ccc1Cl)[C@@H]1CCOC1 ZINC000360025154 563691414 /nfs/dbraw/zinc/69/14/14/563691414.db2.gz XKYYMXCPMDTEST-FIXISWKDSA-N 1 0 388.295 2.895 20 0 GFADRO CCS(=O)(=O)c1ccc(C[NH2+]Cc2ccc(COCCOC)cc2)s1 ZINC000289933385 563691582 /nfs/dbraw/zinc/69/15/82/563691582.db2.gz APBDXSONWMJODF-UHFFFAOYSA-N 1 0 383.535 2.995 20 0 GFADRO CN(C)[C@H](C[NH2+][C@H]1CCCc2ccc(S(N)(=O)=O)cc21)c1cccs1 ZINC000290011134 563694447 /nfs/dbraw/zinc/69/44/47/563694447.db2.gz ZLOFFNWCWZDRAY-DLBZAZTESA-N 1 0 379.551 2.665 20 0 GFADRO O=C1CCCN1C[C@H](O)C[NH2+][C@H](c1cc(Cl)ccc1Cl)[C@@H]1CCOC1 ZINC000360808733 563695142 /nfs/dbraw/zinc/69/51/42/563695142.db2.gz FVZMAMJPQQUWNT-DFHBCGBQSA-N 1 0 387.307 2.644 20 0 GFADRO CC[C@H]1[NH2+]CC[C@H]1C(=O)NCCC(=O)Nc1cc(Br)ccc1C ZINC000290012986 563695527 /nfs/dbraw/zinc/69/55/27/563695527.db2.gz QKZQLXNRWCDCRE-ZIAGYGMSSA-N 1 0 382.302 2.590 20 0 GFADRO COC(=O)[C@@H]1CN(c2nccc3cc(Br)ccc32)CC[N@H+](C)C1 ZINC000413505556 563695693 /nfs/dbraw/zinc/69/56/93/563695693.db2.gz VAPNFCAALHNEOW-ZDUSSCGKSA-N 1 0 378.270 2.538 20 0 GFADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1cc2cc(Br)ccc2o1 ZINC000360939240 563696003 /nfs/dbraw/zinc/69/60/03/563696003.db2.gz BTHURKVCJHNBSJ-KGLIPLIRSA-N 1 0 379.254 2.788 20 0 GFADRO C[NH+](C)CCc1ccc(NC(=O)c2cc3c(s2)CCS(=O)(=O)C3)cc1 ZINC000360900162 563696136 /nfs/dbraw/zinc/69/61/36/563696136.db2.gz FYLIFZRJMALWRK-UHFFFAOYSA-N 1 0 378.519 2.575 20 0 GFADRO Clc1cnn([C@@H]2CCN(CCC[N@@H+]3CC[C@H](n4cc(Cl)cn4)C3)C2)c1 ZINC000290069346 563696850 /nfs/dbraw/zinc/69/68/50/563696850.db2.gz YEYFAPRVEJKBNE-CALCHBBNSA-N 1 0 383.327 2.970 20 0 GFADRO Cc1nc(C)c(CC[NH2+]C2CCN(S(=O)(=O)c3cccs3)CC2)s1 ZINC000361240245 563697738 /nfs/dbraw/zinc/69/77/38/563697738.db2.gz GZQZNHRYFQKPKY-UHFFFAOYSA-N 1 0 385.580 2.807 20 0 GFADRO Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000290104221 563698202 /nfs/dbraw/zinc/69/82/02/563698202.db2.gz QQZOWNWULLQGGH-LBPRGKRZSA-N 1 0 378.826 2.808 20 0 GFADRO C[C@@H](Cc1ccc(F)cc1Br)[NH2+]C1CCC2(CC1)NC(=O)NC2=O ZINC000290095008 563698253 /nfs/dbraw/zinc/69/82/53/563698253.db2.gz JVJMIDXYTLYSOB-ITNLDZRZSA-N 1 0 398.276 2.630 20 0 GFADRO Cc1cc(CS(=O)(=O)NC[C@@H]2CC[N@@H+](C)[C@@H]2c2cccc(Cl)c2)no1 ZINC000361367539 563699056 /nfs/dbraw/zinc/69/90/56/563699056.db2.gz XGFOCZOBVHWIFM-WMLDXEAASA-N 1 0 383.901 2.749 20 0 GFADRO C[N@@H+]1CCC[C@H](N2CCN(CC(=O)Nc3ccc(Cl)cc3Cl)CC2)C1 ZINC000361431847 563699236 /nfs/dbraw/zinc/69/92/36/563699236.db2.gz XMCFITVSXKBYEC-HNNXBMFYSA-N 1 0 385.339 2.644 20 0 GFADRO O=S1(=O)CCC[C@@H](C[NH2+]Cc2cc(Br)ccc2OC(F)F)C1 ZINC000290146645 563699463 /nfs/dbraw/zinc/69/94/63/563699463.db2.gz OODHYGOWGOMRJM-JTQLQIEISA-N 1 0 398.269 2.965 20 0 GFADRO C[NH+]1CCN(c2ccc(Br)cc2NC(=O)c2cncs2)CC1 ZINC000290198677 563700654 /nfs/dbraw/zinc/70/06/54/563700654.db2.gz PJOXXCYFHFXXGW-UHFFFAOYSA-N 1 0 381.299 2.910 20 0 GFADRO Cc1cc(Br)cn2c(CN3CC[N@H+](CC(C)(C)O)[C@@H](C)C3)cnc12 ZINC000438330520 563703543 /nfs/dbraw/zinc/70/35/43/563703543.db2.gz ZCFXHNZQRIKXGC-AWEZNQCLSA-N 1 0 395.345 2.682 20 0 GFADRO c1csc(-c2nc(C[NH2+]C[C@@]3(N4CCOCC4)CCCOC3)cs2)c1 ZINC000362221566 563704634 /nfs/dbraw/zinc/70/46/34/563704634.db2.gz OWVUSAPCDVQCDI-SFHVURJKSA-N 1 0 379.551 2.843 20 0 GFADRO Cc1ccc(C(=O)N2CC[C@@H]3CC[N@@H+](C)[C@@H]3C2)cc1I ZINC000362472063 563706860 /nfs/dbraw/zinc/70/68/60/563706860.db2.gz INBDPLZCQQFRNK-SWLSCSKDSA-N 1 0 384.261 2.766 20 0 GFADRO CCN(C[C@H]1CCN(C(=O)[C@]2([NH+](C)C)CCCSC2)C1)CC(F)(F)F ZINC000362709028 563708416 /nfs/dbraw/zinc/70/84/16/563708416.db2.gz YFEPVSIAWMCQNF-ZBFHGGJFSA-N 1 0 381.508 2.547 20 0 GFADRO Cc1cccc(C(=O)N2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)c1Br ZINC000362724332 563708712 /nfs/dbraw/zinc/70/87/12/563708712.db2.gz KLJCXPCLFLFFKJ-MRXNPFEDSA-N 1 0 394.357 2.998 20 0 GFADRO O=S1(=O)CCCN1CC[NH2+]C1(c2ccc(Br)cc2)CCCC1 ZINC000438749732 563709418 /nfs/dbraw/zinc/70/94/18/563709418.db2.gz DKYRNIWZGUYRTD-UHFFFAOYSA-N 1 0 387.343 2.844 20 0 GFADRO Cc1ccc(C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1I ZINC000362810803 563709445 /nfs/dbraw/zinc/70/94/45/563709445.db2.gz IAWASVNYTPZKMC-KBPBESRZSA-N 1 0 384.261 2.956 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CNC(=O)C1(c2cccc(Br)c2)CC(=O)C1 ZINC000438789843 563711092 /nfs/dbraw/zinc/71/10/92/563711092.db2.gz JNERRRNXQMRJTI-HNNXBMFYSA-N 1 0 379.298 2.650 20 0 GFADRO O=C(C[C@@H]1Sc2ccc(Cl)cc2NC1=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000363020822 563712137 /nfs/dbraw/zinc/71/21/37/563712137.db2.gz VPGPSLMNAQEBMB-IOASZLSFSA-N 1 0 379.913 2.886 20 0 GFADRO COCc1c(Br)cccc1NC(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000363070780 563713088 /nfs/dbraw/zinc/71/30/88/563713088.db2.gz XQBFOULAOVBCDV-STQMWFEESA-N 1 0 398.301 2.580 20 0 GFADRO Cc1c(Br)cccc1C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000363051430 563713514 /nfs/dbraw/zinc/71/35/14/563713514.db2.gz BDTCZGDVJYVNGP-OAHLLOKOSA-N 1 0 381.314 2.942 20 0 GFADRO COCc1c(Br)cccc1NC(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000363070778 563713675 /nfs/dbraw/zinc/71/36/75/563713675.db2.gz XQBFOULAOVBCDV-OLZOCXBDSA-N 1 0 398.301 2.580 20 0 GFADRO CN(C(=O)C1CCN(C(=O)c2ccc(Cl)s2)CC1)C1CC[NH+](C)CC1 ZINC000363079105 563714169 /nfs/dbraw/zinc/71/41/69/563714169.db2.gz PEGHONKHGJGTKX-UHFFFAOYSA-N 1 0 383.945 2.806 20 0 GFADRO CCOC1CC(C[NH2+][C@H](C)c2ccc(Br)nc2)(N2CCOCC2)C1 ZINC000290634336 563716275 /nfs/dbraw/zinc/71/62/75/563716275.db2.gz JCRCYNFEMGBSSQ-MXWWQKGMSA-N 1 0 398.345 2.765 20 0 GFADRO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]CCc1ccc2c(c1)OCCO2 ZINC000414055643 563717078 /nfs/dbraw/zinc/71/70/78/563717078.db2.gz CUAQALYNSPUTPS-ZDUSSCGKSA-N 1 0 393.281 2.603 20 0 GFADRO CCCOc1ccc(C[NH2+][C@H](C)Cn2cc(Br)ccc2=O)cn1 ZINC000414078709 563718101 /nfs/dbraw/zinc/71/81/01/563718101.db2.gz BMPLVFSDLDBQHJ-CYBMUJFWSA-N 1 0 380.286 2.973 20 0 GFADRO CC[C@H]1C[N@H+](C)CCCN1S(=O)(=O)c1cc(Br)ccc1F ZINC000439213285 563719826 /nfs/dbraw/zinc/71/98/26/563719826.db2.gz MCAFJTCSZPUJDV-LBPRGKRZSA-N 1 0 379.295 2.693 20 0 GFADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@]1(CO)C[C@@H]1c1ccccc1 ZINC000414139775 563721256 /nfs/dbraw/zinc/72/12/56/563721256.db2.gz HLNKGDSSSIBBSQ-BJZITVGISA-N 1 0 391.309 2.755 20 0 GFADRO O[C@@H](C[NH2+][C@H](c1ccc(Br)cc1Cl)C1CC1)Cn1ccnn1 ZINC000414197539 563721927 /nfs/dbraw/zinc/72/19/27/563721927.db2.gz VZVTYKCFKTWVBG-WFASDCNBSA-N 1 0 385.693 2.796 20 0 GFADRO C[C@@H]([NH2+]C[C@@H](CO)Cc1cc(F)cc(Br)c1)C(C)(C)n1cncn1 ZINC000414204113 563722666 /nfs/dbraw/zinc/72/26/66/563722666.db2.gz ZYTQRNUEGLHSAX-OCCSQVGLSA-N 1 0 399.308 2.744 20 0 GFADRO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)Nc1ccnn1-c1ccc(Br)cn1 ZINC000290840691 563723520 /nfs/dbraw/zinc/72/35/20/563723520.db2.gz YMVBFRIXHXXULV-GFCCVEGCSA-N 1 0 395.305 2.880 20 0 GFADRO C[N@H+](CCc1nccs1)C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000439436374 563724909 /nfs/dbraw/zinc/72/49/09/563724909.db2.gz HIMCTQPLDGQALV-ZDUSSCGKSA-N 1 0 389.290 2.959 20 0 GFADRO OCCCC[N@H+](C[C@@H](O)COc1cc(F)cc(Br)c1)C1CC1 ZINC000439454191 563725248 /nfs/dbraw/zinc/72/52/48/563725248.db2.gz QVLBJXRLTHUJGV-OAHLLOKOSA-N 1 0 376.266 2.565 20 0 GFADRO C[N@H+](C[C@@H](O)COc1cc(F)cc(Br)c1)[C@@H](CO)C(C)(C)C ZINC000439444224 563725278 /nfs/dbraw/zinc/72/52/78/563725278.db2.gz BCOHRCSTXXZGLM-HIFRSBDPSA-N 1 0 378.282 2.667 20 0 GFADRO CCOc1ccccc1C[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000414304704 563725342 /nfs/dbraw/zinc/72/53/42/563725342.db2.gz CSQFNHVTGFQGEM-UHFFFAOYSA-N 1 0 399.310 2.785 20 0 GFADRO CCC[N@H+](C[C@H](O)COc1cc(F)cc(Br)c1)CC(C)(C)O ZINC000439451135 563725638 /nfs/dbraw/zinc/72/56/38/563725638.db2.gz LPCUGBSRJRBXBD-AWEZNQCLSA-N 1 0 378.282 2.811 20 0 GFADRO CO[C@H](C[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1)c1ccccc1 ZINC000414315188 563726175 /nfs/dbraw/zinc/72/61/75/563726175.db2.gz MGJKLMXVYZFBAS-OAHLLOKOSA-N 1 0 399.310 2.574 20 0 GFADRO C[N@H+](C[C@@H](O)COc1cc(F)cc(Br)c1)C1CCC(CO)CC1 ZINC000439455617 563726669 /nfs/dbraw/zinc/72/66/69/563726669.db2.gz VFNGAHBZMYYCOD-VDSRIPIWSA-N 1 0 390.293 2.811 20 0 GFADRO C[N@H+](C[C@H](O)COc1cc(F)cc(Br)c1)C1CCC(CO)CC1 ZINC000439455616 563726731 /nfs/dbraw/zinc/72/67/31/563726731.db2.gz VFNGAHBZMYYCOD-MOQPWLNLSA-N 1 0 390.293 2.811 20 0 GFADRO C[C@H]([NH2+][C@H]1CCC[C@H](CO)C1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000414329571 563727026 /nfs/dbraw/zinc/72/70/26/563727026.db2.gz DKAOLXBYHNRWRV-DCAQKATOSA-N 1 0 381.325 2.843 20 0 GFADRO C[C@@H](CN[C@@H](C(N)=O)c1ccc(Br)cc1F)[N@@H+]1CCCC[C@H]1C ZINC000439557880 563728074 /nfs/dbraw/zinc/72/80/74/563728074.db2.gz WGVKFZDYQBENBV-BFQNTYOBSA-N 1 0 386.309 2.967 20 0 GFADRO C[C@@H](CN[C@H](C(N)=O)c1ccc(Br)cc1F)[N@@H+]1CCCC[C@H]1C ZINC000439557883 563728150 /nfs/dbraw/zinc/72/81/50/563728150.db2.gz WGVKFZDYQBENBV-WQGACYEGSA-N 1 0 386.309 2.967 20 0 GFADRO Cc1cc([C@H](C)[NH2+]CCCCn2cc(C(N)=O)nn2)sc1Br ZINC000414350548 563728197 /nfs/dbraw/zinc/72/81/97/563728197.db2.gz LQTZQNDYNBXMPY-JTQLQIEISA-N 1 0 386.319 2.640 20 0 GFADRO C[C@@H]1CN(C[C@@H](O)C[NH2+]C2(c3cccc(Br)c3)CCC2)C[C@H](C)O1 ZINC000439731942 563731130 /nfs/dbraw/zinc/73/11/30/563731130.db2.gz KULJPHCAQOSVPB-DAYGRLMNSA-N 1 0 397.357 2.888 20 0 GFADRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)c1nc2ccc(Br)cn2n1 ZINC000414394591 563733688 /nfs/dbraw/zinc/73/36/88/563733688.db2.gz FZYOZWCZVLHSSI-ZDUSSCGKSA-N 1 0 394.317 2.876 20 0 GFADRO COc1cc(Br)ccc1CCC[NH2+]C1CCS(=O)(=O)CC1 ZINC000291168481 563733705 /nfs/dbraw/zinc/73/37/05/563733705.db2.gz MXHLPEBFOMQKOR-UHFFFAOYSA-N 1 0 376.316 2.557 20 0 GFADRO Cc1cc(C[NH2+][C@@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)ccc1C(F)(F)F ZINC000414439147 563737805 /nfs/dbraw/zinc/73/78/05/563737805.db2.gz VYJBCQKSQNLEMV-ZBFHGGJFSA-N 1 0 377.428 2.840 20 0 GFADRO C[N@H+]1C[C@@H](c2ccccc2)[C@H](NS(=O)(=O)Cc2ccc(F)c(Cl)c2)C1 ZINC000414454918 563740103 /nfs/dbraw/zinc/74/01/03/563740103.db2.gz BLXOJBULVIEHBZ-MAUKXSAKSA-N 1 0 382.888 2.996 20 0 GFADRO CC1(C)[C@@H]2OCCC[C@H]2[C@@]1([NH3+])C(=O)NCCc1ccc(F)c(Br)c1 ZINC000364006472 563740186 /nfs/dbraw/zinc/74/01/86/563740186.db2.gz XDCYGCKJSDUKBL-CDHAZOANSA-N 1 0 399.304 2.779 20 0 GFADRO CC[NH+]1CCN(CCC(=O)N2CCCc3c(Br)cccc3C2)CC1 ZINC000364028240 563740830 /nfs/dbraw/zinc/74/08/30/563740830.db2.gz JCTPZNGTXIASIC-UHFFFAOYSA-N 1 0 394.357 2.752 20 0 GFADRO COCCCOc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CCC[C@@H]1[NH+](C)C ZINC000414464013 563741126 /nfs/dbraw/zinc/74/11/26/563741126.db2.gz LIYFZMKTDQZYSI-GJZGRUSLSA-N 1 0 390.933 2.516 20 0 GFADRO C[C@H]([NH3+])c1ccc(CNS(=O)(=O)c2cc3c(cc2Cl)OCCO3)cc1 ZINC000440407155 563741326 /nfs/dbraw/zinc/74/13/26/563741326.db2.gz HTTUVHICWOXNKF-NSHDSACASA-N 1 0 382.869 2.609 20 0 GFADRO Cc1c(S(=O)(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])cnn1-c1ccc(Cl)cc1 ZINC000440403594 563741709 /nfs/dbraw/zinc/74/17/09/563741709.db2.gz CZSVFOLWXWYKPS-CZUORRHYSA-N 1 0 382.917 2.630 20 0 GFADRO COc1cc(C)c(Br)cc1S(=O)(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000440412983 563741839 /nfs/dbraw/zinc/74/18/39/563741839.db2.gz WGRUDEGHTOXKPX-RYUDHWBXSA-N 1 0 391.331 2.514 20 0 GFADRO O=S(=O)(c1csc(-c2ccccc2)n1)N1CCC([NH2+]CC2CC2)CC1 ZINC000440435605 563742141 /nfs/dbraw/zinc/74/21/41/563742141.db2.gz SFHKRLIESCEVGJ-UHFFFAOYSA-N 1 0 377.535 2.963 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CCCN(S(=O)(=O)c2cc(Br)sc2Cl)C1 ZINC000440443887 563742256 /nfs/dbraw/zinc/74/22/56/563742256.db2.gz OCCMVXJNMKYVTG-HTQZYQBOSA-N 1 0 387.752 2.912 20 0 GFADRO Cc1cc(F)c(Br)cc1S(=O)(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000440736181 563748922 /nfs/dbraw/zinc/74/89/22/563748922.db2.gz PKCHZMYJHNGHIK-GHMZBOCLSA-N 1 0 379.295 2.563 20 0 GFADRO C[C@H]1CCCN(S(=O)(=O)c2cc(Cl)ccc2Br)[C@@H]1C[NH3+] ZINC000440757344 563749406 /nfs/dbraw/zinc/74/94/06/563749406.db2.gz STCSDMBNJLMPDN-JOYOIKCWSA-N 1 0 381.723 2.850 20 0 GFADRO C[C@H](CC(=O)NC[C@@](C)(O)C[NH+](C)C)c1ccc(F)c(Br)c1 ZINC000291599332 563749468 /nfs/dbraw/zinc/74/94/68/563749468.db2.gz BTIMMLFDVLYOFH-BDJLRTHQSA-N 1 0 375.282 2.511 20 0 GFADRO O=S(=O)(c1ccc2cc(Br)ccc2c1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000440753289 563749652 /nfs/dbraw/zinc/74/96/52/563749652.db2.gz ZCLFPHARCAMTAX-QGZVFWFLSA-N 1 0 395.322 2.976 20 0 GFADRO Cc1cc(I)ccc1NC(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000414677746 563750186 /nfs/dbraw/zinc/75/01/86/563750186.db2.gz JMVGQHUNMWKJSY-OLZOCXBDSA-N 1 0 385.249 2.958 20 0 GFADRO C[C@H]1CN(Cc2cn3ccc(Br)cc3n2)CC2(CCOCC2)O1 ZINC000291673511 563752927 /nfs/dbraw/zinc/75/29/27/563752927.db2.gz WOHKWSOYALSQFF-ZDUSSCGKSA-N 1 0 380.286 2.867 20 0 GFADRO Cc1cc(Br)ccc1C(=O)N1CCC([NH2+][C@H]2CCCNC2)CC1 ZINC000414862773 563753524 /nfs/dbraw/zinc/75/35/24/563753524.db2.gz HWKKYQDDYKDQBN-INIZCTEOSA-N 1 0 380.330 2.704 20 0 GFADRO CCOC(=O)COc1c(Br)cc(C)cc1CNCC1([NH3+])CCC1 ZINC000414870630 563753652 /nfs/dbraw/zinc/75/36/52/563753652.db2.gz CBOMYVZQMZAHAZ-UHFFFAOYSA-N 1 0 385.302 2.670 20 0 GFADRO C[C@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ncc(Br)cc1F ZINC000364462316 563753782 /nfs/dbraw/zinc/75/37/82/563753782.db2.gz CFZJIPKPDZLAFG-JSGCOSHPSA-N 1 0 385.325 2.802 20 0 GFADRO O=C(C[C@@H]1CCC[NH2+]CC1)Nc1ncn(Cc2cccc(Br)c2)n1 ZINC000364463108 563753927 /nfs/dbraw/zinc/75/39/27/563753927.db2.gz DQDHNMJYHCDPOO-CYBMUJFWSA-N 1 0 392.301 2.807 20 0 GFADRO O=C(NCC1CC[NH+](C2CC2)CC1)c1nc(C2CC2)ncc1Br ZINC000291693289 563754200 /nfs/dbraw/zinc/75/42/00/563754200.db2.gz FVRMXUCRSKHWGF-UHFFFAOYSA-N 1 0 379.302 2.721 20 0 GFADRO CN1CC[NH2+]C[C@@H]1CNCc1csc(-c2cccc(Br)c2)n1 ZINC000414982098 563756152 /nfs/dbraw/zinc/75/61/52/563756152.db2.gz YTMOEUWKUWXKND-OAHLLOKOSA-N 1 0 381.343 2.566 20 0 GFADRO [NH3+][C@@H]1CCc2ncc(NC(=O)C(=O)NCc3cc(Cl)sc3Cl)cc2C1 ZINC000415015116 563756965 /nfs/dbraw/zinc/75/69/65/563756965.db2.gz AEMCDHRITNUJKB-SNVBAGLBSA-N 1 0 399.303 2.521 20 0 GFADRO [NH3+][C@H]1CCc2ncc(NC(=O)C(=O)NCc3cc(Cl)sc3Cl)cc2C1 ZINC000415015115 563757118 /nfs/dbraw/zinc/75/71/18/563757118.db2.gz AEMCDHRITNUJKB-JTQLQIEISA-N 1 0 399.303 2.521 20 0 GFADRO COc1cc(CN[C@H]2CC[NH2+]C2(C)C)cc(I)c1OC ZINC000415046781 563757133 /nfs/dbraw/zinc/75/71/33/563757133.db2.gz VNMXHAROVDYTGY-ZDUSSCGKSA-N 1 0 390.265 2.539 20 0 GFADRO [NH3+]Cc1cc(NC(=O)C(=O)NC[C@@H]2CCCCS2)cc(C(F)(F)F)c1 ZINC000415046710 563757223 /nfs/dbraw/zinc/75/72/23/563757223.db2.gz VCPLGFFNSLQEGC-ZDUSSCGKSA-N 1 0 375.416 2.505 20 0 GFADRO CCCOc1c(Br)cc(CNC[C@H]2C[NH2+]CCCO2)cc1OC ZINC000415050446 563757843 /nfs/dbraw/zinc/75/78/43/563757843.db2.gz YTQQIGKAYXHSSC-CQSZACIVSA-N 1 0 387.318 2.715 20 0 GFADRO C[C@@H]1C[C@H](N(C)S(=O)(=O)CCc2ccccc2Br)CC[N@@H+]1C ZINC000291781163 563758047 /nfs/dbraw/zinc/75/80/47/563758047.db2.gz WVFPKLILEDUGFP-UKRRQHHQSA-N 1 0 389.359 2.736 20 0 GFADRO CC(C)(O)C[N@@H+]1CCCN(C(=O)Nc2cc(Br)ccc2F)CC1 ZINC000364623645 563759308 /nfs/dbraw/zinc/75/93/08/563759308.db2.gz NWWURTFWEOVHEP-UHFFFAOYSA-N 1 0 388.281 2.899 20 0 GFADRO C[C@H](Oc1cccc(Br)c1)C(=O)N1CCC[N@H+](CC(C)(C)O)CC1 ZINC000364613095 563759507 /nfs/dbraw/zinc/75/95/07/563759507.db2.gz ONSYNSGFAKMEFQ-AWEZNQCLSA-N 1 0 399.329 2.522 20 0 GFADRO [NH3+]Cc1cn([C@@H]2CCCN(Cc3ccc(Br)cc3Cl)C2)nn1 ZINC000415118718 563759596 /nfs/dbraw/zinc/75/95/96/563759596.db2.gz DWSJVTKJUIMRPO-CQSZACIVSA-N 1 0 384.709 2.990 20 0 GFADRO [NH3+]C[C@H]1CCCN1C(=O)Nc1cc(F)c(I)c(F)c1 ZINC000415111466 563759754 /nfs/dbraw/zinc/75/97/54/563759754.db2.gz CDLBTYOSEILILM-MRVPVSSYSA-N 1 0 381.164 2.524 20 0 GFADRO C[C@@H]1CN(C(=O)Nc2cc(F)c(I)c(F)c2)CC[C@@H]1[NH3+] ZINC000415127218 563760339 /nfs/dbraw/zinc/76/03/39/563760339.db2.gz VOHPPRGOEXSRLI-HQJQHLMTSA-N 1 0 395.191 2.770 20 0 GFADRO C[NH2+]C[C@@H](C)CNC(=O)Nc1cc(F)c(I)c(F)c1 ZINC000415129446 563760468 /nfs/dbraw/zinc/76/04/68/563760468.db2.gz YWJSEEPYNPHFMK-SSDOTTSWSA-N 1 0 383.180 2.546 20 0 GFADRO O=C1N[C@@H]2CN(Cc3csc(Cl)c3Cl)CC[C@@H]2N1C1CC[NH2+]CC1 ZINC000415141503 563760932 /nfs/dbraw/zinc/76/09/32/563760932.db2.gz PNFISXRQSLCUNJ-OLZOCXBDSA-N 1 0 389.352 2.775 20 0 GFADRO C[NH2+]C[C@@H](C)CNC(=O)Nc1cc(Br)cnc1OCC(F)(F)F ZINC000415172349 563761859 /nfs/dbraw/zinc/76/18/59/563761859.db2.gz OJKPOLWSNVBDND-MRVPVSSYSA-N 1 0 399.211 2.762 20 0 GFADRO C[NH2+]C[C@H](C)CNC(=O)Nc1cc(Br)cnc1OCC(F)(F)F ZINC000415172350 563761926 /nfs/dbraw/zinc/76/19/26/563761926.db2.gz OJKPOLWSNVBDND-QMMMGPOBSA-N 1 0 399.211 2.762 20 0 GFADRO COc1ccc(NC(=O)N2C[C@@H](C[NH3+])C3(C2)CCOCC3)cc1Br ZINC000415170482 563761945 /nfs/dbraw/zinc/76/19/45/563761945.db2.gz LWAHTXXADYXWBN-GFCCVEGCSA-N 1 0 398.301 2.677 20 0 GFADRO O=C(c1[nH]nc2c1C[NH2+]CC2)N1CCC[C@@H]1Cc1ccc(Br)cc1 ZINC000364726184 563762254 /nfs/dbraw/zinc/76/22/54/563762254.db2.gz WXEYDWFBDHRTDM-CQSZACIVSA-N 1 0 389.297 2.665 20 0 GFADRO CC[NH2+]Cc1cccc(NC(=O)C(=O)NCc2ccsc2Br)c1 ZINC000415218295 563763110 /nfs/dbraw/zinc/76/31/10/563763110.db2.gz WNOIUKLZYXSYPV-UHFFFAOYSA-N 1 0 396.310 2.875 20 0 GFADRO C[NH2+]C[C@H]1CCCN1C(=O)Nc1cc(F)c(F)cc1I ZINC000415236973 563763170 /nfs/dbraw/zinc/76/31/70/563763170.db2.gz HAEAHSVNOSVUDV-MRVPVSSYSA-N 1 0 395.191 2.785 20 0 GFADRO O=S(=O)(CC[N@@H+]1CC[C@@H]([C@H]2CCOC2)C1)c1ccc(Br)cc1 ZINC000441668525 563763745 /nfs/dbraw/zinc/76/37/45/563763745.db2.gz OPKUJXLQUVFTIL-KGLIPLIRSA-N 1 0 388.327 2.581 20 0 GFADRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)Nc1ccc(F)cc1I ZINC000415255935 563764348 /nfs/dbraw/zinc/76/43/48/563764348.db2.gz VXXCOXFYGKKMHB-PELKAZGASA-N 1 0 377.201 2.550 20 0 GFADRO C[NH2+][C@H]1CCN(C(=O)Nc2cc(I)ccc2Cl)C1 ZINC000415260139 563764605 /nfs/dbraw/zinc/76/46/05/563764605.db2.gz ATUOHUCVPBCXHA-VIFPVBQESA-N 1 0 379.629 2.770 20 0 GFADRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)Nc1cc(I)ccc1Cl ZINC000415261452 563764950 /nfs/dbraw/zinc/76/49/50/563764950.db2.gz DHSZUWSZAPZUOI-XVKPBYJWSA-N 1 0 379.629 2.898 20 0 GFADRO [NH3+]C1(CNC(=O)C(=O)Nc2ccc(Cl)c(OC(F)F)c2)CCCCC1 ZINC000415284377 563765679 /nfs/dbraw/zinc/76/56/79/563765679.db2.gz VWYOIKRZBCLKMC-UHFFFAOYSA-N 1 0 375.803 2.658 20 0 GFADRO CC(C)c1cc(Br)ccc1NC(=O)C(=O)N1CCC(C[NH3+])CC1 ZINC000415302275 563766179 /nfs/dbraw/zinc/76/61/79/563766179.db2.gz BXFUBOYMWVOMKU-UHFFFAOYSA-N 1 0 382.302 2.708 20 0 GFADRO Cc1csc(Sc2ccc(NC(=O)C(=O)N3CC[C@@H]([NH3+])C3)cc2Cl)n1 ZINC000415291816 563766307 /nfs/dbraw/zinc/76/63/07/563766307.db2.gz HTEQLKTWKPODJW-SNVBAGLBSA-N 1 0 396.925 2.754 20 0 GFADRO COC(=O)c1cc(Br)ccc1NC(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000415322148 563766967 /nfs/dbraw/zinc/76/69/67/563766967.db2.gz BKISUAMGSLMYQS-WDEREUQCSA-N 1 0 384.274 2.827 20 0 GFADRO CCN1CC[NH+](C[C@H](C)CNC(=O)[C@H](C)c2cccc(Br)c2)CC1 ZINC000291962101 563767030 /nfs/dbraw/zinc/76/70/30/563767030.db2.gz RNIFQKNBJXAQQV-HZPDHXFCSA-N 1 0 396.373 2.942 20 0 GFADRO C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@H]1NC(=O)Nc1cccc(Br)n1 ZINC000364890957 563767687 /nfs/dbraw/zinc/76/76/87/563767687.db2.gz XOFMPMNRVCAEOJ-MGPQQGTHSA-N 1 0 397.317 2.855 20 0 GFADRO C[C@@H]([NH2+]CCNS(=O)(=O)c1ccc(F)cc1F)c1ccc(F)c(F)c1 ZINC000442135028 563768305 /nfs/dbraw/zinc/76/83/05/563768305.db2.gz MUWFFNHYBFWIBI-SNVBAGLBSA-N 1 0 376.375 2.872 20 0 GFADRO COc1ccc(Br)cc1CNC(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000291990778 563768384 /nfs/dbraw/zinc/76/83/84/563768384.db2.gz XXIRBYHMLNITEU-QGZVFWFLSA-N 1 0 382.302 2.695 20 0 GFADRO CCOC(=O)c1cc(Br)ccc1NC(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000415346594 563768940 /nfs/dbraw/zinc/76/89/40/563768940.db2.gz HOBHHNOFQWVVAS-ZDUSSCGKSA-N 1 0 396.285 2.984 20 0 GFADRO [NH3+]C1CCC(NC(=O)C(=O)Nc2ccc(Br)c3ccccc23)CC1 ZINC000415349191 563768955 /nfs/dbraw/zinc/76/89/55/563768955.db2.gz GHDKLBIVGQDAMJ-UHFFFAOYSA-N 1 0 390.281 2.927 20 0 GFADRO C[C@@H]1CN(C(=O)Nc2cccc(F)c2I)CC[C@H]1[NH3+] ZINC000415359230 563770597 /nfs/dbraw/zinc/77/05/97/563770597.db2.gz KMYSSPZBROQPQN-PSASIEDQSA-N 1 0 377.201 2.631 20 0 GFADRO C[C@@H]([NH3+])C1CCN(C(=O)C(=O)Nc2cc(Cl)ccc2C(F)(F)F)CC1 ZINC000415390972 563771914 /nfs/dbraw/zinc/77/19/14/563771914.db2.gz VNOMBMYOIFWOTP-SECBINFHSA-N 1 0 377.794 2.883 20 0 GFADRO CCCN(C(=O)C(=O)Nc1ccc(Br)cc1CC)[C@@H]1CC[NH2+]C1 ZINC000415390222 563772101 /nfs/dbraw/zinc/77/21/01/563772101.db2.gz HCYOACXGBJRZNM-CQSZACIVSA-N 1 0 382.302 2.551 20 0 GFADRO Cc1cc(F)c(NC(=O)N[C@H]2C[NH2+]CC[C@@H]2C)c(I)c1 ZINC000415394150 563772363 /nfs/dbraw/zinc/77/23/63/563772363.db2.gz QGQUENWVNDCTDL-CABZTGNLSA-N 1 0 391.228 2.858 20 0 GFADRO O=C(NCC[C@@H]1CCC[NH2+]C1)C(=O)Nc1ccc(Cl)cc1Br ZINC000415407339 563773028 /nfs/dbraw/zinc/77/30/28/563773028.db2.gz PNBAISNZDBZVLS-JTQLQIEISA-N 1 0 388.693 2.547 20 0 GFADRO C[C@@H]([NH2+][C@H](CO)c1ccc(Br)cc1)C(=O)NCc1ccccc1 ZINC000292087964 563773491 /nfs/dbraw/zinc/77/34/91/563773491.db2.gz FELZMLGBKXWHBF-CXAGYDPISA-N 1 0 377.282 2.777 20 0 GFADRO CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)Nc2c(C)cc(Br)cc2C)C1 ZINC000442579314 563774448 /nfs/dbraw/zinc/77/44/48/563774448.db2.gz UMYVACWAKXPZJW-HNNXBMFYSA-N 1 0 396.329 2.947 20 0 GFADRO COCCOc1ccc(Br)cc1NC(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000415430523 563774837 /nfs/dbraw/zinc/77/48/37/563774837.db2.gz SXUJGAQSDXHTNU-WCQYABFASA-N 1 0 386.290 2.594 20 0 GFADRO [NH3+]CC[C@H]1CCCN(C(=O)[C@H]2CC(=O)N(c3cc(Cl)cc(Cl)c3)C2)C1 ZINC000442598039 563775053 /nfs/dbraw/zinc/77/50/53/563775053.db2.gz LDMBECWUGGRXIR-OLZOCXBDSA-N 1 0 384.307 2.934 20 0 GFADRO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)Nc1cc(F)ccc1SCC(F)F ZINC000415436241 563775697 /nfs/dbraw/zinc/77/56/97/563775697.db2.gz YEJBIWXGSDFMNT-LLVKDONJSA-N 1 0 377.432 2.611 20 0 GFADRO COc1ccc(Br)c(NC(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)c1 ZINC000365182078 563776137 /nfs/dbraw/zinc/77/61/37/563776137.db2.gz GRRMCUHWQCSTLW-HOTGVXAUSA-N 1 0 398.301 2.521 20 0 GFADRO CCOCCOc1ccc(Br)cc1NC(=O)N1CC[NH2+][C@@H](C)C1 ZINC000415440887 563776190 /nfs/dbraw/zinc/77/61/90/563776190.db2.gz FNWJVSWNPKQRIH-LBPRGKRZSA-N 1 0 386.290 2.690 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000415440422 563776208 /nfs/dbraw/zinc/77/62/08/563776208.db2.gz MPCZUPALMSHTAO-CHWSQXEVSA-N 1 0 382.302 2.590 20 0 GFADRO C[N@@H+]1CC[C@@]2(CCN(Cc3noc(Cc4ccc(Br)cc4)n3)C2)C1 ZINC000292164552 563776719 /nfs/dbraw/zinc/77/67/19/563776719.db2.gz OXADKFDHKIOZFH-GOSISDBHSA-N 1 0 391.313 2.951 20 0 GFADRO O=C(C[NH2+][C@H]1CCO[C@H]1C1CC1)Nc1c(F)cc(F)cc1Br ZINC000365198261 563776969 /nfs/dbraw/zinc/77/69/69/563776969.db2.gz FDSLCJZFYSBPKQ-WFASDCNBSA-N 1 0 375.213 2.823 20 0 GFADRO O=C(NCC[NH2+]C1CCCCCC1)C(=O)Nc1cccc(Br)c1 ZINC000415455952 563777030 /nfs/dbraw/zinc/77/70/30/563777030.db2.gz VBVSTQDEYRIYLG-UHFFFAOYSA-N 1 0 382.302 2.816 20 0 GFADRO CS(=O)(=O)C[C@@H]1CC[N@H+](CCC(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000292199583 563778062 /nfs/dbraw/zinc/77/80/62/563778062.db2.gz LRGFYZIYZIPZAM-LLVKDONJSA-N 1 0 379.309 2.689 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)Nc2ccc(Br)c(Cl)c2Cl)CCO1 ZINC000415475091 563778198 /nfs/dbraw/zinc/77/81/98/563778198.db2.gz OAXICSNBAYRDBG-SSDOTTSWSA-N 1 0 383.073 2.947 20 0 GFADRO O=C(Nc1ccc(C(F)(F)F)cc1Cl)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000415474710 563778271 /nfs/dbraw/zinc/77/82/71/563778271.db2.gz MLRQSOODXXAWLD-MNOVXSKESA-N 1 0 375.778 2.650 20 0 GFADRO CC(C)[C@H]([NH3+])CCN(C)C(=O)Nc1cc(Br)cnc1-n1cccn1 ZINC000415484762 563778296 /nfs/dbraw/zinc/77/82/96/563778296.db2.gz ODKUOMVBGSTXLC-CYBMUJFWSA-N 1 0 395.305 2.867 20 0 GFADRO CC(C)C[C@@H](C[NH3+])NC(=O)Nc1cc(Br)cnc1-n1cccn1 ZINC000415482503 563778379 /nfs/dbraw/zinc/77/83/79/563778379.db2.gz LRKDILCXPGBIES-LBPRGKRZSA-N 1 0 381.278 2.525 20 0 GFADRO CCCC[C@@H](C[NH3+])NC(=O)C(=O)Nc1cccc(Br)c1Cl ZINC000415493598 563778839 /nfs/dbraw/zinc/77/88/39/563778839.db2.gz GTTINSIBWICXAU-VIFPVBQESA-N 1 0 376.682 2.675 20 0 GFADRO [NH3+]C[C@H](NC(=O)Nc1cc(Br)cnc1-n1cccn1)C1CCCC1 ZINC000415493584 563779121 /nfs/dbraw/zinc/77/91/21/563779121.db2.gz YLWMDMKXQGXNDC-AWEZNQCLSA-N 1 0 393.289 2.669 20 0 GFADRO C[C@@H](CCC[NH3+])NC(=O)Nc1nnc(-c2cccc(Br)c2)s1 ZINC000415496963 563779456 /nfs/dbraw/zinc/77/94/56/563779456.db2.gz HKRUTHFVHRWOQU-VIFPVBQESA-N 1 0 384.303 3.217 20 0 GFADRO CN(C(=O)Nc1nnc(-c2cccc(Br)c2)s1)C1CC[NH2+]CC1 ZINC000415508335 563780333 /nfs/dbraw/zinc/78/03/33/563780333.db2.gz XJWFJBQQSUGJQT-UHFFFAOYSA-N 1 0 396.314 3.183 20 0 GFADRO CCCC[C@@H](C[NH3+])NC(=O)C(=O)Nc1ccc(Cl)cc1Br ZINC000415503593 563780408 /nfs/dbraw/zinc/78/04/08/563780408.db2.gz VGGFDPQVGLKWGA-JTQLQIEISA-N 1 0 376.682 2.675 20 0 GFADRO C[NH2+][C@@H]1CCCN(C(=O)Nc2nnc(-c3cccc(Br)c3)s2)C1 ZINC000415507417 563780425 /nfs/dbraw/zinc/78/04/25/563780425.db2.gz VMCRWFPJZMJQOL-GFCCVEGCSA-N 1 0 396.314 3.183 20 0 GFADRO O=C(Nc1ccc(Br)c(F)c1)C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000415513368 563780629 /nfs/dbraw/zinc/78/06/29/563780629.db2.gz DTHYPSMHYQBJIY-OAHLLOKOSA-N 1 0 398.276 2.517 20 0 GFADRO CC(C)n1cc([C@@H](C)[NH2+]CCNS(=O)(=O)c2ccc(Cl)cc2F)cn1 ZINC000442873600 563781999 /nfs/dbraw/zinc/78/19/99/563781999.db2.gz RMYAPSNXMDFLLB-GFCCVEGCSA-N 1 0 388.896 2.886 20 0 GFADRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)Nc1ccnn1Cc1cccc(Br)c1 ZINC000415523448 563782133 /nfs/dbraw/zinc/78/21/33/563782133.db2.gz QQEFZSAEHVMYBP-FZMZJTMJSA-N 1 0 378.274 2.647 20 0 GFADRO COc1cc(OC)c(NC(=O)N[C@H](CC[NH3+])C(F)F)cc1Br ZINC000415528077 563782626 /nfs/dbraw/zinc/78/26/26/563782626.db2.gz LRKWUKOWODCZLY-MRVPVSSYSA-N 1 0 382.205 2.570 20 0 GFADRO CC(C)(C)[NH+]1CCC(NCCNS(=O)(=O)c2ccc(Cl)cc2F)CC1 ZINC000442879573 563783076 /nfs/dbraw/zinc/78/30/76/563783076.db2.gz WVSPNZPGFMONMQ-UHFFFAOYSA-N 1 0 391.940 2.610 20 0 GFADRO C[NH2+]CCN(C)C(=O)C(=O)Nc1ccc(Sc2nc(C)cs2)c(Cl)c1 ZINC000415546499 563783972 /nfs/dbraw/zinc/78/39/72/563783972.db2.gz NFSPOPXRISDBCS-UHFFFAOYSA-N 1 0 398.941 2.872 20 0 GFADRO CC1CC[NH+](CCCCNS(=O)(=O)c2cnccc2C(F)(F)F)CC1 ZINC000442908188 563784071 /nfs/dbraw/zinc/78/40/71/563784071.db2.gz LMOSPBJMUJZNGI-UHFFFAOYSA-N 1 0 379.448 2.891 20 0 GFADRO CC(C)n1nccc1NC(=O)[C@H](C)[NH2+][C@H](CO)c1ccc(Br)cc1 ZINC000292383225 563784209 /nfs/dbraw/zinc/78/42/09/563784209.db2.gz ZHZFEKNMPFMNGI-SWLSCSKDSA-N 1 0 395.301 2.877 20 0 GFADRO C[NH2+]CCC1CCN(C(=O)C(=O)Nc2c(C)cc(Br)cc2C)CC1 ZINC000415557811 563784530 /nfs/dbraw/zinc/78/45/30/563784530.db2.gz XILWESPXIOLWAX-UHFFFAOYSA-N 1 0 396.329 2.853 20 0 GFADRO C[C@H]1CN(C(=O)C(=O)Nc2ccc(-c3ccc(Cl)s3)nc2)[C@@H](C)C[NH2+]1 ZINC000415573121 563785108 /nfs/dbraw/zinc/78/51/08/563785108.db2.gz VIJSSMGGYSQXMG-QWRGUYRKSA-N 1 0 378.885 2.611 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)NC[C@@]2(C)CCC[NH2+]C2)c(Br)c1 ZINC000415572983 563785148 /nfs/dbraw/zinc/78/51/48/563785148.db2.gz BUEADUXUPLBBTO-KRWDZBQOSA-N 1 0 382.302 2.510 20 0 GFADRO C[C@H]1CN(C(=O)C(=O)Nc2cccc(Cl)c2SCC(F)F)[C@@H](C)C[NH2+]1 ZINC000415577226 563785207 /nfs/dbraw/zinc/78/52/07/563785207.db2.gz YWLRSYONWSBZJQ-UWVGGRQHSA-N 1 0 391.871 2.845 20 0 GFADRO CN(C1CCN(Cc2ccncc2)CC1)S(=O)(=O)CCc1cccs1 ZINC000365542832 563785716 /nfs/dbraw/zinc/78/57/16/563785716.db2.gz BONWFGZJORYYGX-UHFFFAOYSA-N 1 0 379.551 2.612 20 0 GFADRO CCc1n[nH]c(C(=O)N[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)c1Br ZINC000365538092 563786138 /nfs/dbraw/zinc/78/61/38/563786138.db2.gz NMNAYASDASEEKK-OCCSQVGLSA-N 1 0 377.286 2.562 20 0 GFADRO COC(=O)c1c(Br)ccc(NC(=O)N(C)C2CC[NH2+]CC2)c1C ZINC000415597347 563786279 /nfs/dbraw/zinc/78/62/79/563786279.db2.gz JIHZGGTZBJADMK-UHFFFAOYSA-N 1 0 384.274 2.760 20 0 GFADRO COC(=O)c1c(C)c(NC(=O)NC2CCC([NH3+])CC2)ccc1Br ZINC000415602528 563786806 /nfs/dbraw/zinc/78/68/06/563786806.db2.gz RZVNYBJKSHEKIY-UHFFFAOYSA-N 1 0 384.274 2.936 20 0 GFADRO C[NH2+]C[C@@H]1CCCN1C(=O)Nc1ccc(Br)c(C(=O)OC)c1C ZINC000415603746 563787567 /nfs/dbraw/zinc/78/75/67/563787567.db2.gz UOWRGSCOPGDUBA-NSHDSACASA-N 1 0 384.274 2.760 20 0 GFADRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)Nc1cccnc1-c1ccc(Cl)s1 ZINC000415604932 563787601 /nfs/dbraw/zinc/78/76/01/563787601.db2.gz CBFQSSYEHRVWHJ-PWSUYJOCSA-N 1 0 378.885 2.516 20 0 GFADRO COC(=O)c1cc(NC(=O)N[C@@H](C[NH3+])CC(C)C)cc(Br)c1F ZINC000415605648 563787626 /nfs/dbraw/zinc/78/76/26/563787626.db2.gz HROHQBROGOGGEB-SNVBAGLBSA-N 1 0 390.253 2.870 20 0 GFADRO NC(=O)[C@H](c1ccc(Br)cc1F)N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000365567608 563787865 /nfs/dbraw/zinc/78/78/65/563787865.db2.gz BTFANZCEGQIUPO-WQFMGJDKSA-N 1 0 396.304 2.531 20 0 GFADRO COC(=O)c1cccc(NC(=O)NCCC2=CC[NH2+]CC2)c1Br ZINC000415616284 563788105 /nfs/dbraw/zinc/78/81/05/563788105.db2.gz SWBTULUZJJYUPW-UHFFFAOYSA-N 1 0 382.258 2.667 20 0 GFADRO CC(=O)c1cc(Br)ccc1OCC(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000292505876 563789032 /nfs/dbraw/zinc/78/90/32/563789032.db2.gz HNLUYTDOHXVKPY-GOSISDBHSA-N 1 0 395.297 2.585 20 0 GFADRO C[C@@H]([NH2+]Cc1cccc(S(=O)(=O)N(C)C)c1)[C@@H]1OCCc2sccc21 ZINC000292495783 563789173 /nfs/dbraw/zinc/78/91/73/563789173.db2.gz UDHCHTDKGPOKJS-ACJLOTCBSA-N 1 0 380.535 2.791 20 0 GFADRO [NH3+][C@@H]1CCC[C@H](NC(=O)C(=O)Nc2cc(Cl)ccc2OC(F)(F)F)C1 ZINC000415640966 563790207 /nfs/dbraw/zinc/79/02/07/563790207.db2.gz FMPBDQHTVRKKQA-ZJUUUORDSA-N 1 0 379.766 2.563 20 0 GFADRO O=C(NC[C@@H]1C[NH2+]CCO1)Nc1cc(C(F)(F)F)ccc1Br ZINC000415659589 563790719 /nfs/dbraw/zinc/79/07/19/563790719.db2.gz SDQQXQBJHQWLOU-VIFPVBQESA-N 1 0 382.180 2.578 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)Nc2ccc(OCC(F)(F)F)c(Cl)c2)CCCO1 ZINC000415668929 563790746 /nfs/dbraw/zinc/79/07/46/563790746.db2.gz DPUAPGJCQNIGJA-NSHDSACASA-N 1 0 381.782 2.863 20 0 GFADRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C(=O)Nc1ccc(-c2ccc(Cl)s2)nc1 ZINC000415664294 563790847 /nfs/dbraw/zinc/79/08/47/563790847.db2.gz CQKKSTXCCPYFLF-JQWIXIFHSA-N 1 0 378.885 2.659 20 0 GFADRO O=C(NC1CC[NH+](C2CC2)CC1)c1ccn(-c2ccc(Br)cc2)n1 ZINC000292606273 563791582 /nfs/dbraw/zinc/79/15/82/563791582.db2.gz CHMOHHLQWUQBGC-UHFFFAOYSA-N 1 0 389.297 2.991 20 0 GFADRO COC(=O)c1sccc1S(=O)(=O)NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000443099293 563791900 /nfs/dbraw/zinc/79/19/00/563791900.db2.gz SNMRPJRNYKONKL-ZIAGYGMSSA-N 1 0 388.555 2.571 20 0 GFADRO CNC(=O)c1cccc(NC(=O)N(C)CC[C@H]([NH3+])C(C)C)c1Br ZINC000415715817 563793185 /nfs/dbraw/zinc/79/31/85/563793185.db2.gz ZGYVVAYNCVOIAL-LBPRGKRZSA-N 1 0 385.306 2.646 20 0 GFADRO COC(=O)c1cc(NC(=O)N[C@H]2C[NH2+]CC[C@H]2C)c(C)cc1Br ZINC000415715351 563793189 /nfs/dbraw/zinc/79/31/89/563793189.db2.gz YXHNPALPAAOSEQ-OTYXRUKQSA-N 1 0 384.274 2.664 20 0 GFADRO O=S(=O)(NCCC[NH+]1CCC(O)CC1)c1c(Cl)ccc2ccccc21 ZINC000443154776 563793634 /nfs/dbraw/zinc/79/36/34/563793634.db2.gz HNZLAUNILSJXHF-UHFFFAOYSA-N 1 0 382.913 2.618 20 0 GFADRO O=C([C@@H]1CCN(c2cc(Cl)ccc2Cl)C1=O)N1CCn2cncc2C1 ZINC000365794821 563793885 /nfs/dbraw/zinc/79/38/85/563793885.db2.gz KFBGANYAKSQVPF-ZDUSSCGKSA-N 1 0 379.247 2.585 20 0 GFADRO CC(C)[C@H]([NH3+])CCN(C)C(=O)Nc1ccn(-c2ccc(Br)cc2)n1 ZINC000415751450 563794499 /nfs/dbraw/zinc/79/44/99/563794499.db2.gz AEBSZFBUDAIFAB-OAHLLOKOSA-N 1 0 394.317 3.472 20 0 GFADRO [NH3+][C@@H](CNC(=O)Nc1cc(Cl)ccc1I)C1CC1 ZINC000415756032 563794720 /nfs/dbraw/zinc/79/47/20/563794720.db2.gz KNZMWJXYAXHDKA-JTQLQIEISA-N 1 0 379.629 2.803 20 0 GFADRO COCC[N@@H+]1CC[C@@H](NC(=O)N[C@H](C)c2ccc(Br)s2)C1 ZINC000443189255 563794822 /nfs/dbraw/zinc/79/48/22/563794822.db2.gz SAFAZDRIXCJLET-GHMZBOCLSA-N 1 0 376.320 2.592 20 0 GFADRO [NH3+][C@H]1CCC[C@H](CNC(=O)Nc2ccn(-c3ccc(Br)cc3)n2)C1 ZINC000415763965 563795027 /nfs/dbraw/zinc/79/50/27/563795027.db2.gz YUDSMFUWXPSOCE-JSGCOSHPSA-N 1 0 392.301 3.274 20 0 GFADRO Cc1cccc(NC(=O)C(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)c1Br ZINC000415768458 563795627 /nfs/dbraw/zinc/79/56/27/563795627.db2.gz VQBVRTLGLFCHKC-AWEZNQCLSA-N 1 0 394.313 2.544 20 0 GFADRO O=C(Cc1cscc1Br)NCc1cccnc1N1CCOCC1 ZINC000292795291 563795718 /nfs/dbraw/zinc/79/57/18/563795718.db2.gz RUHVBCWYPYUOBT-UHFFFAOYSA-N 1 0 396.310 2.601 20 0 GFADRO Cc1csc(Sc2ccc(NC(=O)C(=O)N[C@H](C)[C@@H](C)[NH3+])c(C)c2)n1 ZINC000415787532 563796201 /nfs/dbraw/zinc/79/62/01/563796201.db2.gz PHESFSOLUNRKHE-VXGBXAGGSA-N 1 0 378.523 2.702 20 0 GFADRO CC[C@H]([NH3+])CNC(=O)C(=O)Nc1ccc(Br)c(Cl)c1Cl ZINC000415777236 563796300 /nfs/dbraw/zinc/79/63/00/563796300.db2.gz CNJXDMXOZMSHNS-LURJTMIESA-N 1 0 383.073 2.548 20 0 GFADRO CC[C@@H]([NH3+])CNC(=O)C(=O)Nc1ccc(Sc2nc(C)cs2)cc1C ZINC000415780126 563796302 /nfs/dbraw/zinc/79/63/02/563796302.db2.gz CCGOUEXGNZCKMU-GFCCVEGCSA-N 1 0 378.523 2.703 20 0 GFADRO O=C1[C@H](N2CC[NH+]([C@@H]3CCSC3)CC2)CCCN1c1ccccc1Cl ZINC000366066277 563798010 /nfs/dbraw/zinc/79/80/10/563798010.db2.gz HLVSPCCKKZGUHZ-CRAIPNDOSA-N 1 0 379.957 2.959 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)cc1Br ZINC000415815520 563798356 /nfs/dbraw/zinc/79/83/56/563798356.db2.gz SHZHVEZSVNDDCE-CHWSQXEVSA-N 1 0 382.302 2.638 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)NC[C@H]2CCC[C@H]([NH3+])C2)cc1Br ZINC000415815526 563798419 /nfs/dbraw/zinc/79/84/19/563798419.db2.gz SHZHVEZSVNDDCE-STQMWFEESA-N 1 0 382.302 2.638 20 0 GFADRO [NH3+][C@H]1CCC[C@H](CNC(=O)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000415816769 563798453 /nfs/dbraw/zinc/79/84/53/563798453.db2.gz ULRHCJVBCZVHKZ-UWVGGRQHSA-N 1 0 377.794 2.931 20 0 GFADRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)C(=O)Nc2cccnc2-c2ccc(Cl)s2)C1 ZINC000415828411 563799066 /nfs/dbraw/zinc/79/90/66/563799066.db2.gz FQMSRFREOWXKKS-GHMZBOCLSA-N 1 0 378.885 2.646 20 0 GFADRO C[C@H]1CCN(C(=O)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)C[C@H]1C[NH3+] ZINC000415843267 563799148 /nfs/dbraw/zinc/79/91/48/563799148.db2.gz ICSPQZUQASBUDM-VHSXEESVSA-N 1 0 377.794 2.741 20 0 GFADRO [NH3+]CC[C@H](NC(=O)C(=O)Nc1cc(Cl)c(Cl)cc1Cl)C(F)(F)F ZINC000415832126 563799170 /nfs/dbraw/zinc/79/91/70/563799170.db2.gz IIDUUACEBMJWJF-VIFPVBQESA-N 1 0 392.592 2.981 20 0 GFADRO Cc1ccc(Cl)c(S(=O)(=O)NC[C@@H](O)C[NH+]2CCC(C)CC2)c1Cl ZINC000443291330 563799423 /nfs/dbraw/zinc/79/94/23/563799423.db2.gz FHSKGKKGVKMQFN-CYBMUJFWSA-N 1 0 395.352 2.673 20 0 GFADRO Cc1nc2cc(Cl)c(NC(=O)C(=O)N3CC[C@H](C)[C@H](C[NH3+])C3)cc2s1 ZINC000415852897 563799559 /nfs/dbraw/zinc/79/95/59/563799559.db2.gz SEUKQZOZEQVIHZ-GXSJLCMTSA-N 1 0 380.901 2.640 20 0 GFADRO [NH3+]CC[C@H](NC(=O)N[C@H]1CCOc2ccc(Br)cc21)C(F)(F)F ZINC000415993483 563801962 /nfs/dbraw/zinc/80/19/62/563801962.db2.gz JFFRVILSPPCBIG-JQWIXIFHSA-N 1 0 396.207 2.852 20 0 GFADRO O=S(=O)(c1cc(Cl)c(Br)cc1F)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000366289757 563804119 /nfs/dbraw/zinc/80/41/19/563804119.db2.gz SIGGDRPZBBVBLD-UFBFGSQYSA-N 1 0 397.697 2.614 20 0 GFADRO CN(C)CC[NH+]1CCC(Nc2ccnc3c(Br)ccc(F)c23)CC1 ZINC000443508981 563807334 /nfs/dbraw/zinc/80/73/34/563807334.db2.gz LYSMMPYINDCQKZ-UHFFFAOYSA-N 1 0 395.320 2.996 20 0 GFADRO Cn1cc(NC(=O)NCC[N@H+](C)C2CCCCC2)cc(Br)c1=O ZINC000443598017 563808728 /nfs/dbraw/zinc/80/87/28/563808728.db2.gz GPOHDJDFQQVXTN-UHFFFAOYSA-N 1 0 385.306 2.534 20 0 GFADRO O=S(=O)(N1CCC(C[NH2+]Cc2cccc(O)c2Cl)CC1)C(F)(F)F ZINC000293453678 563813467 /nfs/dbraw/zinc/81/34/67/563813467.db2.gz CSXUUWMBHOODJH-UHFFFAOYSA-N 1 0 386.823 2.697 20 0 GFADRO CS(=O)(=O)C[C@@H]1CCN(Cc2cnn(-c3ccc(Br)cc3)c2)C1 ZINC000366562986 563813549 /nfs/dbraw/zinc/81/35/49/563813549.db2.gz STPLFDLLYQWRFY-CYBMUJFWSA-N 1 0 398.326 2.501 20 0 GFADRO C[NH+](C)C1(CNC(=O)c2ccc(Cl)c(I)c2)CC1 ZINC000416305172 563814962 /nfs/dbraw/zinc/81/49/62/563814962.db2.gz WPGPJZNXNSXRJR-UHFFFAOYSA-N 1 0 378.641 2.769 20 0 GFADRO CCC[NH+]1CCC(NS(=O)(=O)c2cc(C)cc(Br)c2)CC1 ZINC000443999557 563817955 /nfs/dbraw/zinc/81/79/55/563817955.db2.gz DDNDBJMQLQKHHI-UHFFFAOYSA-N 1 0 375.332 2.910 20 0 GFADRO CCOc1cc(C[NH2+]CC2(O)CC(OCC)C2)cc(Br)c1OC ZINC000444018182 563818602 /nfs/dbraw/zinc/81/86/02/563818602.db2.gz UHFWXQVEPHKMSJ-UHFFFAOYSA-N 1 0 388.302 2.876 20 0 GFADRO Cc1nn(C)c(C[NH2+][C@H]2CCN(c3ncccc3Cl)C2)c1Br ZINC000366764157 563819517 /nfs/dbraw/zinc/81/95/17/563819517.db2.gz ULDDHSPZJIAHOW-NSHDSACASA-N 1 0 384.709 2.908 20 0 GFADRO COc1cc(OC)c(S(=O)(=O)NCCC[N@@H+]2CCCC[C@@H]2C)cc1Cl ZINC000416376742 563819730 /nfs/dbraw/zinc/81/97/30/563819730.db2.gz WCNUTTGSOXPFIG-ZDUSSCGKSA-N 1 0 390.933 2.900 20 0 GFADRO COc1nc(NC[C@@H](C)[N@@H+]2CCc3sccc3C2)ncc1Br ZINC000444116551 563821855 /nfs/dbraw/zinc/82/18/55/563821855.db2.gz PXNMPRAZRVZXRD-SNVBAGLBSA-N 1 0 383.315 3.168 20 0 GFADRO O=C(NCCSCCOc1cccc(Br)c1)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000444121661 563822153 /nfs/dbraw/zinc/82/21/53/563822153.db2.gz LXHIBRJNSAOJLE-DOTOQJQBSA-N 1 0 399.354 2.677 20 0 GFADRO COC(=O)[C@H](c1ccc(Cl)cc1Cl)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000444226456 563825453 /nfs/dbraw/zinc/82/54/53/563825453.db2.gz OVEZHUMNOPXYMA-GUYCJALGSA-N 1 0 387.307 2.862 20 0 GFADRO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)c1cc(C)n(-c2ccc(Br)cc2)n1 ZINC000366958243 563825843 /nfs/dbraw/zinc/82/58/43/563825843.db2.gz AQFYZWGCDVBRIN-ZFWWWQNUSA-N 1 0 395.276 2.715 20 0 GFADRO C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+][C@H]1CCS(=O)(=O)[C@H]1C ZINC000293947149 563828166 /nfs/dbraw/zinc/82/81/66/563828166.db2.gz OSEVHEQCNZWTIZ-GVXVVHGQSA-N 1 0 378.416 2.588 20 0 GFADRO C[N@@H+]1CCC[C@@H]1C(=O)NC1(Cc2ccc(F)cc2Br)CCOCC1 ZINC000293953817 563828350 /nfs/dbraw/zinc/82/83/50/563828350.db2.gz QIALAKCGCJNMEE-MRXNPFEDSA-N 1 0 399.304 2.890 20 0 GFADRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)c3cccnc3SC(F)(F)F)[C@H]2C1 ZINC000293944428 563828688 /nfs/dbraw/zinc/82/86/88/563828688.db2.gz RCSOFEXPPIJJNC-QWHCGFSZSA-N 1 0 375.416 2.629 20 0 GFADRO C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+][C@H]1CCS(=O)(=O)[C@H]1C ZINC000293947157 563828731 /nfs/dbraw/zinc/82/87/31/563828731.db2.gz OSEVHEQCNZWTIZ-MDZLAQPJSA-N 1 0 378.416 2.588 20 0 GFADRO C[C@H]([NH2+][C@H]1CCC(=O)N[C@@H]1C1CC1)c1ccccc1I ZINC000367069635 563828972 /nfs/dbraw/zinc/82/89/72/563828972.db2.gz XNCVDPBOFQQHKE-JMPLFQLZSA-N 1 0 384.261 2.999 20 0 GFADRO C[C@H]1CN(C(=O)CSc2ccccc2Cl)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000367046766 563829255 /nfs/dbraw/zinc/82/92/55/563829255.db2.gz YVJFYRSEZJMYQE-RDJZCZTQSA-N 1 0 381.973 2.917 20 0 GFADRO C[C@]12CCN(C(=O)NC3CC[NH+](C[C@H]4CCOC4)CC3)C[C@H]1C2(Cl)Cl ZINC000367081264 563830186 /nfs/dbraw/zinc/83/01/86/563830186.db2.gz RGGCBBMJSCOECM-UNEWFSDZSA-N 1 0 390.355 2.713 20 0 GFADRO COc1cc(OC)c(S(=O)(=O)NCC2(C[NH+](C)C)CCCC2)cc1Cl ZINC000416451062 563830370 /nfs/dbraw/zinc/83/03/70/563830370.db2.gz AQMOSFYXUULABM-UHFFFAOYSA-N 1 0 390.933 2.758 20 0 GFADRO COc1cc(S(=O)(=O)NCc2ccc(CC[NH+](C)C)cc2)ccc1Cl ZINC000416475029 563835129 /nfs/dbraw/zinc/83/51/29/563835129.db2.gz SQTWFHHVPJCQGZ-UHFFFAOYSA-N 1 0 382.913 2.931 20 0 GFADRO O=S(=O)(c1ccc(Cl)cc1Br)N1CCC2(C1)CC[NH2+]CC2 ZINC000367199393 563835512 /nfs/dbraw/zinc/83/55/12/563835512.db2.gz JOZSCDMEECPEQA-UHFFFAOYSA-N 1 0 393.734 2.867 20 0 GFADRO C[NH+](C)CCn1nccc1NC(=O)CSCC(=O)c1ccc(Cl)cc1 ZINC000294267149 563836941 /nfs/dbraw/zinc/83/69/41/563836941.db2.gz YYLROMMQVDPTON-UHFFFAOYSA-N 1 0 380.901 2.653 20 0 GFADRO O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)N1CCOc2ccc(Br)cc2C1 ZINC000367271592 563838727 /nfs/dbraw/zinc/83/87/27/563838727.db2.gz PNRBCEIOPHVDAK-HOTGVXAUSA-N 1 0 394.313 2.980 20 0 GFADRO CC(C)(C)c1csc(C2CC[NH+](C[C@@H]3CCN(S(C)(=O)=O)C3)CC2)n1 ZINC000367273868 563839439 /nfs/dbraw/zinc/83/94/39/563839439.db2.gz HYFFFPVVMRLCFT-AWEZNQCLSA-N 1 0 385.599 2.902 20 0 GFADRO O=C([C@H]1CC[N@@H+](C2CCCCC2)C1)N1CCn2c(Br)cnc2C1 ZINC000367301300 563840171 /nfs/dbraw/zinc/84/01/71/563840171.db2.gz YWESPNAPBSEOSQ-ZDUSSCGKSA-N 1 0 381.318 2.642 20 0 GFADRO C[C@H](NC(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O)c1ccc(Cl)cc1Cl ZINC000445002905 563841074 /nfs/dbraw/zinc/84/10/74/563841074.db2.gz ARJSUAROEZTIMC-NHYWBVRUSA-N 1 0 387.311 2.693 20 0 GFADRO COc1cc(C(=O)Nc2cnc3c(c2)C[NH2+]CC3)cc(OC)c1Br ZINC000367383961 563842873 /nfs/dbraw/zinc/84/28/73/563842873.db2.gz KCJWHKRPKVMLAL-UHFFFAOYSA-N 1 0 392.253 2.759 20 0 GFADRO O=C(c1cc(=O)[nH]c2c(Br)cccc12)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000367403423 563843819 /nfs/dbraw/zinc/84/38/19/563843819.db2.gz XMMUUYGYQXUSPO-GOSISDBHSA-N 1 0 390.281 2.919 20 0 GFADRO COc1c[nH+]ccc1N1CCN(S(=O)(=O)c2c(C)cccc2Cl)CC1 ZINC000416531336 563843772 /nfs/dbraw/zinc/84/37/72/563843772.db2.gz URMMNLGSVBOMMX-UHFFFAOYSA-N 1 0 381.885 2.563 20 0 GFADRO Cc1[nH+]c2c(n1[C@H]1CCN(C(=O)c3nn(C)cc3Br)C1)CCCC2 ZINC000294507445 563844364 /nfs/dbraw/zinc/84/43/64/563844364.db2.gz KPFMOAFMGVWMCB-LBPRGKRZSA-N 1 0 392.301 2.654 20 0 GFADRO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)c1cc[nH]c(=O)c1Br ZINC000445253132 563846564 /nfs/dbraw/zinc/84/65/64/563846564.db2.gz XIRSERJPMLQPLO-GFCCVEGCSA-N 1 0 380.242 2.710 20 0 GFADRO O=C1C[C@H]([C@@H]2CCCC[N@H+]2Cc2cc(Br)c3c(c2)OCCO3)CN1 ZINC000367543158 563848101 /nfs/dbraw/zinc/84/81/01/563848101.db2.gz YHPUTXIJQXATKN-ZFWWWQNUSA-N 1 0 395.297 2.711 20 0 GFADRO C[N@@H+]1CCC[C@@H](CCNS(=O)(=O)c2cc(F)ccc2Br)C1 ZINC000416559578 563848269 /nfs/dbraw/zinc/84/82/69/563848269.db2.gz RBIVUNYLMMRHHY-NSHDSACASA-N 1 0 379.295 2.598 20 0 GFADRO C[N@@H+]1CCC[C@@H](CCNS(=O)(=O)c2ccc(Br)c(F)c2)C1 ZINC000416563779 563849003 /nfs/dbraw/zinc/84/90/03/563849003.db2.gz YXKVQFCTURWRHF-NSHDSACASA-N 1 0 379.295 2.598 20 0 GFADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)c3cc(Br)cnc3OCC3CC3)C[C@H]21 ZINC000367592778 563849860 /nfs/dbraw/zinc/84/98/60/563849860.db2.gz FJISDAVCFSAJBG-CZUORRHYSA-N 1 0 394.313 2.799 20 0 GFADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)COc1c(Cl)cc(Cl)cc1Cl ZINC000294659990 563850179 /nfs/dbraw/zinc/85/01/79/563850179.db2.gz QJJLLXJPZSDTPT-NSHDSACASA-N 1 0 394.730 2.778 20 0 GFADRO COCc1ncc(C(=O)N[C@H]2CC[N@H+](Cc3cnc(C)s3)C[C@@H]2C)s1 ZINC000367614228 563850679 /nfs/dbraw/zinc/85/06/79/563850679.db2.gz FXFFSIXWEZEAOQ-FZMZJTMJSA-N 1 0 380.539 2.695 20 0 GFADRO COc1c(C)cc(S(=O)(=O)N2C[C@H](SC)[C@@H]([NH+]3CCCC3)C2)cc1C ZINC000445711541 563852748 /nfs/dbraw/zinc/85/27/48/563852748.db2.gz IPGRCBFYGXGSQM-IRXDYDNUSA-N 1 0 384.567 2.512 20 0 GFADRO C[NH+](C)C1(CNC(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)CCC1 ZINC000445848935 563855170 /nfs/dbraw/zinc/85/51/70/563855170.db2.gz ZOPGWEZYSJYIOD-UHFFFAOYSA-N 1 0 386.327 2.704 20 0 GFADRO O=C1NC[C@H]2CN(Cc3ccc(OC(F)F)c(Br)c3)CC[C@@H]12 ZINC000367922929 563859556 /nfs/dbraw/zinc/85/95/56/563859556.db2.gz DWZUIJSWFUOKMB-WDEREUQCSA-N 1 0 375.213 2.618 20 0 GFADRO C[C@@H]1CN(C(=O)Nc2ccc(OC(F)F)c(Cl)c2)[C@@H](C)C[N@@H+]1CCO ZINC000416727293 563860223 /nfs/dbraw/zinc/86/02/23/563860223.db2.gz FZSNMASNJMGSPP-MNOVXSKESA-N 1 0 377.819 2.860 20 0 GFADRO C[C@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)[N@@H+]1CC[C@H](CC(N)=O)C1 ZINC000367981385 563861057 /nfs/dbraw/zinc/86/10/57/563861057.db2.gz AAKIPNFKKGZSHK-NXEZZACHSA-N 1 0 377.794 2.883 20 0 GFADRO Brc1c(CNC[C@H]2CCC[C@H]2[NH+]2CCOCC2)nc2ccccn21 ZINC000368025590 563862001 /nfs/dbraw/zinc/86/20/01/563862001.db2.gz XJBLUGMMMBBQNP-GDBMZVCRSA-N 1 0 393.329 2.687 20 0 GFADRO Cc1cc([C@@H](C)[NH2+][C@@H]2CCN(CCN3CCOCC3)C2)ccc1Br ZINC000368017595 563862026 /nfs/dbraw/zinc/86/20/26/563862026.db2.gz FPTMVLMUJHGFPA-SJLPKXTDSA-N 1 0 396.373 2.815 20 0 GFADRO COC(=O)[C@@H]1CN(C(=O)Nc2cc(Br)c(C)cc2C)CC[N@H+](C)C1 ZINC000417022831 563865856 /nfs/dbraw/zinc/86/58/56/563865856.db2.gz JGEZNXHOPHLPAR-ZDUSSCGKSA-N 1 0 398.301 2.634 20 0 GFADRO Cc1cc(NC(=O)N2C[C@H](C)[N@@H+](CCO)C[C@H]2C)cc(C)c1Br ZINC000417054926 563866407 /nfs/dbraw/zinc/86/64/07/563866407.db2.gz HMLPUHLLJBWETB-UONOGXRCSA-N 1 0 384.318 2.985 20 0 GFADRO Cc1cc(C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)nn1-c1ccc(Br)cc1 ZINC000368310743 563868360 /nfs/dbraw/zinc/86/83/60/563868360.db2.gz RTHNVSDIBQFUAA-APHBMKBZSA-N 1 0 389.297 2.753 20 0 GFADRO CC(C)(CNC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1ccc(Br)cc1 ZINC000417124476 563868569 /nfs/dbraw/zinc/86/85/69/563868569.db2.gz MVUGIBVKECBLSN-ZIAGYGMSSA-N 1 0 380.330 2.978 20 0 GFADRO CC(C)[N@H+](CCN1CCCS1(=O)=O)Cc1cccc(Br)c1 ZINC000446767935 563868863 /nfs/dbraw/zinc/86/88/63/563868863.db2.gz XLOBYTCNDBSNPO-UHFFFAOYSA-N 1 0 375.332 2.695 20 0 GFADRO C[C@H]([C@H](C)[NH2+]Cc1ccc(F)cc1I)N1CCOCC1 ZINC000417906341 563891717 /nfs/dbraw/zinc/89/17/17/563891717.db2.gz ADPCRXQWYSVGQE-NWDGAFQWSA-N 1 0 392.256 2.629 20 0 GFADRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)NCCc3ccc(F)c(Br)c3)C[C@@H]21 ZINC000417172207 563869942 /nfs/dbraw/zinc/86/99/42/563869942.db2.gz FRHDZQCUJAGJPX-HEHGZKQESA-N 1 0 384.293 2.900 20 0 GFADRO [NH3+]C1(CNC(=O)NCC2(c3cccc(Br)c3)CCOCC2)CCC1 ZINC000417180450 563870914 /nfs/dbraw/zinc/87/09/14/563870914.db2.gz OOYNAKPVDUETHV-UHFFFAOYSA-N 1 0 396.329 2.678 20 0 GFADRO CC(C)[C@H]([NH3+])CNC(=O)N[C@H](C)c1cc2c(cc1Br)OCCO2 ZINC000417184309 563871537 /nfs/dbraw/zinc/87/15/37/563871537.db2.gz SGDHHVQDKKWUGR-ZWNOBZJWSA-N 1 0 386.290 2.564 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2S(=O)(=O)c1csc2ccccc21 ZINC000368512098 563872961 /nfs/dbraw/zinc/87/29/61/563872961.db2.gz PUBOYZMBGXUBOF-VNQPRFMTSA-N 1 0 380.535 2.774 20 0 GFADRO CO[C@@H]1CCN(C(=O)N[C@H](C)Cc2cccc(Br)c2)[C@H](C[NH3+])C1 ZINC000417288558 563876825 /nfs/dbraw/zinc/87/68/25/563876825.db2.gz RVQDPTSSVLJORZ-UHOFOFEASA-N 1 0 384.318 2.528 20 0 GFADRO COc1cc(Cl)c(S(=O)(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc1Cl ZINC000447251739 563877756 /nfs/dbraw/zinc/87/77/56/563877756.db2.gz QAANEMOMPMGTAO-CWSCBRNRSA-N 1 0 379.309 2.750 20 0 GFADRO [NH3+][C@@H]1CCC[C@H]2CN(S(=O)(=O)c3ccc(Br)c(Cl)c3)C[C@@H]21 ZINC000447243103 563877908 /nfs/dbraw/zinc/87/79/08/563877908.db2.gz ANZVOHQVVDNKQH-NURSFMCSSA-N 1 0 393.734 2.850 20 0 GFADRO CSC[C@H](O)C[NH+]1CCC(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000368792360 563878726 /nfs/dbraw/zinc/87/87/26/563878726.db2.gz VYVXCBMBMRPVKA-OAHLLOKOSA-N 1 0 387.343 2.824 20 0 GFADRO Cc1cn2c(n1)CC[C@@H]([NH2+][C@H](C)C(=O)Nc1ccc(Br)cc1)C2 ZINC000368844665 563879869 /nfs/dbraw/zinc/87/98/69/563879869.db2.gz HVUCOXCDRDCABS-IUODEOHRSA-N 1 0 377.286 2.886 20 0 GFADRO C[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000417422936 563880031 /nfs/dbraw/zinc/88/00/31/563880031.db2.gz LZTGGIBZKXWABS-BBRMVZONSA-N 1 0 385.339 2.614 20 0 GFADRO [NH3+][C@H](CNC(=O)NCC1(c2ccc(Br)cc2)CCOCC1)C1CC1 ZINC000417435400 563880254 /nfs/dbraw/zinc/88/02/54/563880254.db2.gz YNCWWESERKLXOE-MRXNPFEDSA-N 1 0 396.329 2.534 20 0 GFADRO Cc1cc(Br)ccc1CNC(=O)N1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000417561565 563883283 /nfs/dbraw/zinc/88/32/83/563883283.db2.gz DRRQTLXPWMEFFR-HNNXBMFYSA-N 1 0 396.329 2.654 20 0 GFADRO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)N[C@@H]1CCN(c2ccccc2Br)C1 ZINC000417599441 563885664 /nfs/dbraw/zinc/88/56/64/563885664.db2.gz HYALUHCPNPZBTR-SQWLQELKSA-N 1 0 395.345 2.845 20 0 GFADRO O=C(NCC1(c2cccc(Br)c2)CC1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000417664593 563886603 /nfs/dbraw/zinc/88/66/03/563886603.db2.gz WYWISPNGJFHNJC-KRWDZBQOSA-N 1 0 378.314 2.876 20 0 GFADRO O=C(NCC1(c2cccc(Br)c2)CC1)N[C@@H]1C[NH2+]CCC1(F)F ZINC000417661123 563886744 /nfs/dbraw/zinc/88/67/44/563886744.db2.gz ORMOYZQURYWRTM-CYBMUJFWSA-N 1 0 388.256 2.777 20 0 GFADRO C[C@H](CNC(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1)Oc1cccc(Br)c1 ZINC000417789597 563889343 /nfs/dbraw/zinc/88/93/43/563889343.db2.gz HPODZAFAJIZROT-MCIONIFRSA-N 1 0 384.318 2.843 20 0 GFADRO C[C@@H]([NH3+])C1CCN(C(=O)NC[C@H](C)Oc2ccccc2Br)CC1 ZINC000417823480 563889760 /nfs/dbraw/zinc/88/97/60/563889760.db2.gz KYGSLYVDPCNQGB-QWHCGFSZSA-N 1 0 384.318 2.985 20 0 GFADRO C[C@H]([NH2+][C@@H](CO)[C@@H]1CCCO1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000447913250 563890605 /nfs/dbraw/zinc/89/06/05/563890605.db2.gz IGWNEUNLVZIHTH-HERUPUMHSA-N 1 0 380.794 2.815 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)NC[C@@H](C)Oc2ccccc2Br)C1 ZINC000417837748 563890573 /nfs/dbraw/zinc/89/05/73/563890573.db2.gz XUAFHLSERKIVLE-MGPQQGTHSA-N 1 0 384.318 2.985 20 0 GFADRO C[C@@H](CC[NH3+])NC(=O)N[C@@H](C)c1nc(-c2ccc(Br)cc2)no1 ZINC000417884304 563890969 /nfs/dbraw/zinc/89/09/69/563890969.db2.gz FVNFBLSPCLYURJ-UWVGGRQHSA-N 1 0 382.262 2.597 20 0 GFADRO O=C(NCc1ccc(O)c(Br)c1)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000417896731 563891001 /nfs/dbraw/zinc/89/10/01/563891001.db2.gz IAYOCLSEKCYIIM-GOEBONIOSA-N 1 0 390.281 2.710 20 0 GFADRO CC(=O)Nc1ccc(S(=O)(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)cc1Cl ZINC000447943361 563891780 /nfs/dbraw/zinc/89/17/80/563891780.db2.gz XJTRSKKKXDPHBH-MRXNPFEDSA-N 1 0 387.933 2.697 20 0 GFADRO Cc1nn(C)c(C[NH2+]CCc2csc(N3CCCC3)n2)c1Br ZINC000447944045 563892009 /nfs/dbraw/zinc/89/20/09/563892009.db2.gz LOORRAGDMFOKER-UHFFFAOYSA-N 1 0 384.347 2.880 20 0 GFADRO C[N@@H+]1CCCC(C)(C)[C@H]1CNS(=O)(=O)c1ccccc1Br ZINC000447942423 563892038 /nfs/dbraw/zinc/89/20/38/563892038.db2.gz UTTSXABLGRAACF-CQSZACIVSA-N 1 0 375.332 2.848 20 0 GFADRO Fc1ccc(C[NH2+]CCN2CCSCC2)c(I)c1 ZINC000417968302 563893015 /nfs/dbraw/zinc/89/30/15/563893015.db2.gz OLFAQECBRYRGQH-UHFFFAOYSA-N 1 0 380.270 2.569 20 0 GFADRO C[NH2+][C@@H]1CCCN(C(=O)N[C@@H](C)[C@H](OC)c2ccc(Br)cc2)C1 ZINC000418000093 563894757 /nfs/dbraw/zinc/89/47/57/563894757.db2.gz WIQAPUGXFQOFJG-MAZHCROVSA-N 1 0 384.318 2.919 20 0 GFADRO C[NH2+]CC1CCN(C(=O)NCc2cc(Br)cc3c2OCC3)CC1 ZINC000418012474 563895474 /nfs/dbraw/zinc/89/54/74/563895474.db2.gz MBNSDJZUSFXKLE-UHFFFAOYSA-N 1 0 382.302 2.525 20 0 GFADRO Cc1cccc(NC(=O)C(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)c1Br ZINC000448317839 563896028 /nfs/dbraw/zinc/89/60/28/563896028.db2.gz BPQQEDZIXFMDQV-CQSZACIVSA-N 1 0 396.329 2.933 20 0 GFADRO CCCOC[C@@H](Cc1cccc(Br)c1)NC(=O)N(C)[C@@H](C)C[NH3+] ZINC000418032309 563896314 /nfs/dbraw/zinc/89/63/14/563896314.db2.gz PQFAYXJCTZSWHT-XJKSGUPXSA-N 1 0 386.334 2.775 20 0 GFADRO CCCOC[C@H](Cc1cccc(Br)c1)NC(=O)NCC1([NH3+])CCC1 ZINC000418031859 563896565 /nfs/dbraw/zinc/89/65/65/563896565.db2.gz OYCWMIYTWJWZGP-INIZCTEOSA-N 1 0 398.345 2.967 20 0 GFADRO O=C(NCc1cc(Br)ccc1Br)NC1CC[NH2+]CC1 ZINC000418050530 563897018 /nfs/dbraw/zinc/89/70/18/563897018.db2.gz WJWUKHGTRUNODN-UHFFFAOYSA-N 1 0 391.107 2.763 20 0 GFADRO [NH3+]C1CCC(NC(=O)N[C@@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)CC1 ZINC000418055812 563897026 /nfs/dbraw/zinc/89/70/26/563897026.db2.gz BUABLWHZEVZZMU-ORHYLEIMSA-N 1 0 385.295 2.668 20 0 GFADRO CC(C)[C@H]([NH3+])CNC(=O)N[C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O ZINC000418085332 563898043 /nfs/dbraw/zinc/89/80/43/563898043.db2.gz XRNQCNHAPSALKS-ZIAGYGMSSA-N 1 0 387.311 2.771 20 0 GFADRO CCCC[C@H](C[NH3+])NC(=O)NCc1cnn(-c2ccc(Br)cc2)c1 ZINC000418088156 563898140 /nfs/dbraw/zinc/89/81/40/563898140.db2.gz JNNCRWBDNZLVQV-OAHLLOKOSA-N 1 0 394.317 2.952 20 0 GFADRO C[NH2+][C@H]1CCCN(C(=O)NCc2cnn(-c3ccc(Br)cc3)c2)C1 ZINC000418087905 563898174 /nfs/dbraw/zinc/89/81/74/563898174.db2.gz ISXOGPORJTYBJR-HNNXBMFYSA-N 1 0 392.301 2.528 20 0 GFADRO C[C@@H]1CN(C(=O)NCc2cnn(-c3ccc(Br)cc3)c2)CC[C@H]1[NH3+] ZINC000418090241 563898445 /nfs/dbraw/zinc/89/84/45/563898445.db2.gz NLKJZLWGVQYUOX-MLGOLLRUSA-N 1 0 392.301 2.514 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H](NC(=O)NCc2cnn(-c3ccc(Br)cc3)c2)C1 ZINC000418089015 563898519 /nfs/dbraw/zinc/89/85/19/563898519.db2.gz LKCNSXYAYFWRDQ-HUUCEWRRSA-N 1 0 392.301 2.704 20 0 GFADRO O=C(N[C@@H]1CCN(c2cccc(Br)c2)C1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000418103512 563899083 /nfs/dbraw/zinc/89/90/83/563899083.db2.gz TUHDXFNNYOWMMT-OWCLPIDISA-N 1 0 393.329 2.564 20 0 GFADRO C[NH+]1CCN(c2ccc(NC(=O)Cc3sccc3Br)cn2)CC1 ZINC000448632529 563899288 /nfs/dbraw/zinc/89/92/88/563899288.db2.gz AFUXBPWPHVJCSE-UHFFFAOYSA-N 1 0 395.326 2.839 20 0 GFADRO CC(C)[C@@H]([NH3+])CNC(=O)NCc1ccc(I)cc1Cl ZINC000418122872 563899379 /nfs/dbraw/zinc/89/93/79/563899379.db2.gz KOUXXZLHTCIXOT-LBPRGKRZSA-N 1 0 395.672 2.727 20 0 GFADRO CC[C@@H]([NH3+])CNC(=O)N[C@H](C)CCc1ccc(I)cc1 ZINC000418116986 563899608 /nfs/dbraw/zinc/89/96/08/563899608.db2.gz SBJXUBFUZUBYDC-BXUZGUMPSA-N 1 0 389.281 2.649 20 0 GFADRO COC[C@@]1(CNC(=O)N[C@@H](C)c2ccc(Br)cc2F)CCC[NH2+]1 ZINC000418185681 563900866 /nfs/dbraw/zinc/90/08/66/563900866.db2.gz PFVDHYRMRUGMKH-ZBEGNZNMSA-N 1 0 388.281 2.717 20 0 GFADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)c1cc2c(ccc(F)c2Br)[nH]1 ZINC000448911710 563903119 /nfs/dbraw/zinc/90/31/19/563903119.db2.gz QQNUWBZMMMQIDO-NSHDSACASA-N 1 0 398.276 2.910 20 0 GFADRO Cc1ccc(CC(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)c(Br)c1 ZINC000448970528 563904166 /nfs/dbraw/zinc/90/41/66/563904166.db2.gz QWYBGMSXHHGIML-MRXNPFEDSA-N 1 0 395.341 2.871 20 0 GFADRO CS(=O)(=O)c1cccc(C[NH2+][C@H]2CCN(c3ccccc3Cl)C2=O)c1 ZINC000449147162 563907240 /nfs/dbraw/zinc/90/72/40/563907240.db2.gz FQKHMMKYVYBPDG-INIZCTEOSA-N 1 0 378.881 2.639 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]C[C@@H]1CCCS1 ZINC000449195046 563907687 /nfs/dbraw/zinc/90/76/87/563907687.db2.gz VRZLKYXZIWFESH-FZMZJTMJSA-N 1 0 387.343 2.948 20 0 GFADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+]C[C@@H]1CCCS1 ZINC000449195047 563907789 /nfs/dbraw/zinc/90/77/89/563907789.db2.gz VRZLKYXZIWFESH-RISCZKNCSA-N 1 0 387.343 2.948 20 0 GFADRO CN(C)C(=O)[C@H]1CC[C@@H](C[NH2+]Cc2ccnc3c(Br)cccc23)O1 ZINC000449203825 563908322 /nfs/dbraw/zinc/90/83/22/563908322.db2.gz LFTRVCRUFOTQQM-XJKSGUPXSA-N 1 0 392.297 2.723 20 0 GFADRO CCn1cc([C@@H]2NC(=O)CC[C@H]2[NH2+]Cc2cccc(F)c2Br)cn1 ZINC000449262461 564177804 /nfs/dbraw/zinc/17/78/04/564177804.db2.gz HSBBDORLQMUBJC-PBHICJAKSA-N 1 0 395.276 2.914 20 0 GFADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[N@H+](C)[C@@H]1CCCC[C@H]1O ZINC000449261218 564178144 /nfs/dbraw/zinc/17/81/44/564178144.db2.gz ZESNTZDGSLKJNZ-DAXOMENPSA-N 1 0 399.329 2.698 20 0 GFADRO C[N@H+](CC[S@@](=O)c1ccccc1)C[C@@H]1C[C@H](F)CN1Cc1nccs1 ZINC000470819236 564178669 /nfs/dbraw/zinc/17/86/69/564178669.db2.gz DEEDXGGVYIAHKO-DUOCMMSMSA-N 1 0 381.542 2.795 20 0 GFADRO C[C@H](CO)[N@@H+]1CCCN(Cc2ccnc3c(Br)cccc23)CC1 ZINC000449271070 564179030 /nfs/dbraw/zinc/17/90/30/564179030.db2.gz FJVGXXOHICKGBB-CQSZACIVSA-N 1 0 378.314 2.886 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[N@H+](C)[C@H]1C[C@@H](OC)C1 ZINC000449313932 564179460 /nfs/dbraw/zinc/17/94/60/564179460.db2.gz BDMJLBALYJUZIF-TUKIKUTGSA-N 1 0 385.302 2.572 20 0 GFADRO COCC1CCC([NH2+]CCNS(=O)(=O)c2ccc(F)cc2Cl)CC1 ZINC000449307992 564179516 /nfs/dbraw/zinc/17/95/16/564179516.db2.gz TWFLPWNQVVEOBP-UHFFFAOYSA-N 1 0 378.897 2.552 20 0 GFADRO CC(C)(C)[C@@H](O)C[C@@H](CO)[NH2+]Cc1ccc(I)cc1 ZINC000449316224 564179884 /nfs/dbraw/zinc/17/98/84/564179884.db2.gz XRTNBXIVLGVAHT-KBPBESRZSA-N 1 0 377.266 2.539 20 0 GFADRO CS(=O)(=O)N[C@@H]1CCCC[C@H]1C[NH2+]Cc1cccc(F)c1Br ZINC000449317331 564180924 /nfs/dbraw/zinc/18/09/24/564180924.db2.gz AXTGLGGAVOIXOT-SMDDNHRTSA-N 1 0 393.322 2.786 20 0 GFADRO C[N@H+](Cc1cc(Br)ccc1OC(F)F)[C@H]1CCN2CCO[C@H]1C2 ZINC000449360772 564181794 /nfs/dbraw/zinc/18/17/94/564181794.db2.gz IJLSVDNUOYLSNJ-ZFWWWQNUSA-N 1 0 391.256 2.955 20 0 GFADRO CC[C@H](Cn1cncn1)[NH2+]CCC(=O)Nc1cc(Br)ccc1C ZINC000563262407 564183671 /nfs/dbraw/zinc/18/36/71/564183671.db2.gz YOXDBXNQZAVVOX-CQSZACIVSA-N 1 0 380.290 2.746 20 0 GFADRO OCCCN1CCC[C@@H]([NH2+]Cc2cc(Br)ccc2OC(F)F)C1 ZINC000449398708 564184050 /nfs/dbraw/zinc/18/40/50/564184050.db2.gz WAIDBHLBFBCZAF-CQSZACIVSA-N 1 0 393.272 2.987 20 0 GFADRO OCCN1CCCC[C@H]1C[NH2+]CC1=Cc2cc(Br)ccc2OC1 ZINC000449388738 564184436 /nfs/dbraw/zinc/18/44/36/564184436.db2.gz BBEYVNMODNPSHW-KRWDZBQOSA-N 1 0 381.314 2.661 20 0 GFADRO OCC[N@@H+]1CCCC[C@@H]1CNCc1cn(-c2ccc(Cl)c(Cl)c2)nn1 ZINC000449398608 564184513 /nfs/dbraw/zinc/18/45/13/564184513.db2.gz YHCVRJNAKJXZNG-OAHLLOKOSA-N 1 0 384.311 2.511 20 0 GFADRO O=S1(=O)CC[C@](O)(C[NH2+][C@@H]2CCC[C@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000449409687 564184660 /nfs/dbraw/zinc/18/46/60/564184660.db2.gz VFNLWYYQMJCJRM-MAZHCROVSA-N 1 0 378.321 2.769 20 0 GFADRO O=S1(=O)CC[C@](O)(C[NH2+][C@@H]2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000449409689 564184808 /nfs/dbraw/zinc/18/48/08/564184808.db2.gz VFNLWYYQMJCJRM-WQVCFCJDSA-N 1 0 378.321 2.769 20 0 GFADRO CSc1ccc(C[N@H+](C)CCN(C)c2ccc(S(N)(=O)=O)cc2)s1 ZINC000449423530 564185696 /nfs/dbraw/zinc/18/56/96/564185696.db2.gz HJBNIMZREOPWHU-UHFFFAOYSA-N 1 0 385.580 2.686 20 0 GFADRO CCN(C)C(=O)[C@@H]([NH2+]Cc1cc(Br)c2c(c1)OCCO2)C(C)C ZINC000449439242 564187207 /nfs/dbraw/zinc/18/72/07/564187207.db2.gz HIWKXYBYPYIIRL-HNNXBMFYSA-N 1 0 385.302 2.813 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)N1CC[C@@H](C(F)(F)F)[C@H](CO)C1)c1cccs1 ZINC000505704624 564188567 /nfs/dbraw/zinc/18/85/67/564188567.db2.gz FFSOLWDUJNMNDF-YNEHKIRRSA-N 1 0 379.448 2.553 20 0 GFADRO O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)Nc1cccc(Cl)c1Cl ZINC000563405830 564189323 /nfs/dbraw/zinc/18/93/23/564189323.db2.gz DCLJBQKNUNFWBF-LLVKDONJSA-N 1 0 385.217 2.951 20 0 GFADRO CC[C@H]([NH2+]Cc1cc(I)c(OC)c(OC)c1)[C@H](C)O ZINC000449541854 564189949 /nfs/dbraw/zinc/18/99/49/564189949.db2.gz LATLOIIVNULABD-CABZTGNLSA-N 1 0 379.238 2.557 20 0 GFADRO CCN1C[C@@H]([NH2+]Cc2cc(Br)c(OC(F)F)c(OC)c2)CC1=O ZINC000449518592 564190097 /nfs/dbraw/zinc/19/00/97/564190097.db2.gz OHGQNZFJKURQDZ-JTQLQIEISA-N 1 0 393.228 2.770 20 0 GFADRO CC(C)(C)n1cc(C[NH2+]C[C@H](CO)Cc2cc(Br)ccc2F)nn1 ZINC000449605077 564192043 /nfs/dbraw/zinc/19/20/43/564192043.db2.gz YQOXZZMVJBNPQY-GFCCVEGCSA-N 1 0 399.308 2.876 20 0 GFADRO Cc1ccc(C[C@H](CO)C[NH2+]Cc2cnc3cnccn23)cc1Br ZINC000449602589 564192093 /nfs/dbraw/zinc/19/20/93/564192093.db2.gz UHCLGIZBJFBKSF-HNNXBMFYSA-N 1 0 389.297 2.741 20 0 GFADRO OC[C@@H](C[NH2+]Cc1cnc2cnccn12)Cc1cc(Br)ccc1F ZINC000449605506 564193713 /nfs/dbraw/zinc/19/37/13/564193713.db2.gz ZLCNPSONXRKQFZ-GFCCVEGCSA-N 1 0 393.260 2.572 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C[N@@H+](CCO)[C@@H]1CCO[C@@H]1C ZINC000449676565 564194354 /nfs/dbraw/zinc/19/43/54/564194354.db2.gz IBXZOMGXFXVULH-RDTXWAMCSA-N 1 0 394.313 2.915 20 0 GFADRO CCOc1c(Br)cc(C[N@H+](CCO)[C@H]2CCO[C@@H]2C)cc1OC ZINC000449678831 564195680 /nfs/dbraw/zinc/19/56/80/564195680.db2.gz QOLCZAHKQYFBAX-DOMZBBRYSA-N 1 0 388.302 2.828 20 0 GFADRO OC[C@@H](C[NH2+]Cc1cnc2cnccn12)Cc1ccc(F)c(Br)c1 ZINC000449684609 564196106 /nfs/dbraw/zinc/19/61/06/564196106.db2.gz PVMOBJBILLLSSP-CYBMUJFWSA-N 1 0 393.260 2.572 20 0 GFADRO COc1cccc(C[NH2+]C[C@H](CO)Cc2cc(Br)ccc2OC)n1 ZINC000449678047 564196148 /nfs/dbraw/zinc/19/61/48/564196148.db2.gz DPAMPGITHRPJMK-CYBMUJFWSA-N 1 0 395.297 2.802 20 0 GFADRO O=C(NCC[NH+]1CCC1)NC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000506115251 564196264 /nfs/dbraw/zinc/19/62/64/564196264.db2.gz WKLJMFUSYLLCQN-UHFFFAOYSA-N 1 0 385.339 2.963 20 0 GFADRO C[C@@H](CN1CC[NH+]([C@H]2CCNC(=O)CC2)CC1)c1cccc(Br)c1 ZINC000449704665 564197737 /nfs/dbraw/zinc/19/77/37/564197737.db2.gz WGGTUSSDOCXMAQ-MAUKXSAKSA-N 1 0 394.357 2.839 20 0 GFADRO O=C(CCCSc1ccc(Br)cc1)NC[C@@H]1C[NH2+]CCCO1 ZINC000449711174 564197775 /nfs/dbraw/zinc/19/77/75/564197775.db2.gz NTXNGPIMNLEYEK-AWEZNQCLSA-N 1 0 387.343 2.816 20 0 GFADRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CCCC2)C1 ZINC000449723670 564198825 /nfs/dbraw/zinc/19/88/25/564198825.db2.gz XLBBOKDVWSPTHG-UKRRQHHQSA-N 1 0 384.929 2.670 20 0 GFADRO CCc1nc(C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)nn1-c1c(Cl)cccc1Cl ZINC000449724318 564198830 /nfs/dbraw/zinc/19/88/30/564198830.db2.gz YCPJRHSDBBTVBK-GHMZBOCLSA-N 1 0 382.295 2.994 20 0 GFADRO Cc1ccc(O[C@@H](C)C(=O)N[C@H](CC[NH3+])C(F)(F)F)c(Br)c1 ZINC000449724180 564198896 /nfs/dbraw/zinc/19/88/96/564198896.db2.gz SOYVZVXARGEIMP-JOYOIKCWSA-N 1 0 383.208 2.921 20 0 GFADRO C[C@@H](CN1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1)c1cccc(Br)c1 ZINC000538763136 564200073 /nfs/dbraw/zinc/20/00/73/564200073.db2.gz IJSKTRLGHLXEKR-MAUKXSAKSA-N 1 0 394.357 2.791 20 0 GFADRO CN(C)c1ccccc1CNc1cc(N2CCOCC2)c(Br)c[nH+]1 ZINC000449765089 564200697 /nfs/dbraw/zinc/20/06/97/564200697.db2.gz GIPVIPFECYONQM-UHFFFAOYSA-N 1 0 391.313 3.359 20 0 GFADRO CC[NH+](CC)CC[C@H](CO)NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000538821590 564202191 /nfs/dbraw/zinc/20/21/91/564202191.db2.gz RHTMAEVCSNXZHN-GXTWGEPZSA-N 1 0 377.312 2.970 20 0 GFADRO CC1(CNS(=O)(=O)Cc2ccc(Cl)cc2Br)CC[NH2+]CC1 ZINC000563712003 564203267 /nfs/dbraw/zinc/20/32/67/564203267.db2.gz BHSMMDVPTIXKGI-UHFFFAOYSA-N 1 0 395.750 2.912 20 0 GFADRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2c(Br)cnn2C)C1 ZINC000449808388 564203222 /nfs/dbraw/zinc/20/32/22/564203222.db2.gz ZFCVHOMXLBOOFG-JSGCOSHPSA-N 1 0 377.286 2.748 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2nc(C)c(Br)s2)C[C@H]1C ZINC000538939802 564206347 /nfs/dbraw/zinc/20/63/47/564206347.db2.gz FFUOTJKATJBTON-KOLCDFICSA-N 1 0 396.376 2.707 20 0 GFADRO O=C(NCCc1c[nH]c2cccc(Br)c12)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000563875297 564211018 /nfs/dbraw/zinc/21/10/18/564211018.db2.gz JDUULBWFIGWROS-KBPBESRZSA-N 1 0 391.313 2.724 20 0 GFADRO CC[C@@H]1CN(C(=O)c2cc(Br)c(C)cc2C)CC[N@@H+]1C[C@@H](C)O ZINC000450023101 564213715 /nfs/dbraw/zinc/21/37/15/564213715.db2.gz CVPIWNRSEXANNN-HUUCEWRRSA-N 1 0 383.330 2.983 20 0 GFADRO CC[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccc(Br)cc2)CC[N@@H+]1C[C@@H](C)O ZINC000450029216 564214377 /nfs/dbraw/zinc/21/43/77/564214377.db2.gz UPCBHFAJNGLJBF-XFKAJCMBSA-N 1 0 395.341 2.856 20 0 GFADRO CCS(=O)(=O)c1ccc(CNC(=O)N[C@H](C)C[NH+]2CCCCCC2)s1 ZINC000472187691 564215533 /nfs/dbraw/zinc/21/55/33/564215533.db2.gz KBRPDEDKGBKCAD-CQSZACIVSA-N 1 0 387.571 2.605 20 0 GFADRO C[C@@H]1[NH2+]CC[C@H]1C(=O)NCC1(c2ccc(Br)cc2)CCOCC1 ZINC000564080114 564219419 /nfs/dbraw/zinc/21/94/19/564219419.db2.gz YFQSLIASDOQTIX-XJKSGUPXSA-N 1 0 381.314 2.612 20 0 GFADRO Cc1ncc2c(n1)CC[C@@H]([NH2+]Cc1cc(Br)c3c(c1)OCCO3)C2 ZINC000539448100 564219937 /nfs/dbraw/zinc/21/99/37/564219937.db2.gz FUIOMZDBYRZWHW-CQSZACIVSA-N 1 0 390.281 2.966 20 0 GFADRO O=C(NCCC[N@@H+]1CCc2ccccc2C1)Nc1ccncc1Br ZINC000507170576 564220940 /nfs/dbraw/zinc/22/09/40/564220940.db2.gz PJCPPKWADNXFHJ-UHFFFAOYSA-N 1 0 389.297 2.836 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@H]1COc2cc(F)c(Br)cc21 ZINC000507215859 564222549 /nfs/dbraw/zinc/22/25/49/564222549.db2.gz YRHYZLDZVKBXKQ-YGRLFVJLSA-N 1 0 386.265 2.805 20 0 GFADRO C[C@@H](CN1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1)S(C)(=O)=O ZINC000450255173 564224023 /nfs/dbraw/zinc/22/40/23/564224023.db2.gz AWAQGXGRBWGIOQ-AWEZNQCLSA-N 1 0 378.460 2.646 20 0 GFADRO CC(C)CS(=O)(=O)N1CCC([NH2+]Cc2cnc([C@H]3CCCO3)s2)CC1 ZINC000539634699 564224092 /nfs/dbraw/zinc/22/40/92/564224092.db2.gz UFHFJTOPHCXZPQ-MRXNPFEDSA-N 1 0 387.571 2.534 20 0 GFADRO C[C@@H]([NH2+][C@@H](C)C(=O)NC[C@@H]1CCS(=O)(=O)C1)c1cc(Cl)cc(Cl)c1 ZINC000539623867 564224185 /nfs/dbraw/zinc/22/41/85/564224185.db2.gz UQSONMVCUFLCKU-WOPDTQHZSA-N 1 0 393.336 2.583 20 0 GFADRO CS(=O)(=O)N1CCCC[C@H]1C[NH2+][C@H]1CCc2c1cccc2Br ZINC000507250456 564224163 /nfs/dbraw/zinc/22/41/63/564224163.db2.gz AJEHYGYNPHAZOT-LRDDRELGSA-N 1 0 387.343 2.840 20 0 GFADRO O=S(=O)(c1cc(Cl)ccc1Br)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000564212296 564224780 /nfs/dbraw/zinc/22/47/80/564224780.db2.gz YLHCEJZEZMYCPY-AWEZNQCLSA-N 1 0 393.734 2.867 20 0 GFADRO CC[N@@H+]1CCC[C@@H](CNC(=O)NCCOc2ncc(Cl)cc2Cl)C1 ZINC000507392281 564227686 /nfs/dbraw/zinc/22/76/86/564227686.db2.gz RJWMINAOYZXUSU-LBPRGKRZSA-N 1 0 375.300 2.798 20 0 GFADRO Cc1cc(Br)cn2cc(CN[C@@H]3CCOC[C@H]3[C@@H]3CCC[NH2+]3)nc12 ZINC000564320772 564228637 /nfs/dbraw/zinc/22/86/37/564228637.db2.gz OSSLYSTVWYMDRY-YESZJQIVSA-N 1 0 393.329 2.652 20 0 GFADRO CC(C)OCC[NH+]1CCN(c2ncnc3cc(Br)ccc32)CC1 ZINC000450360980 564229760 /nfs/dbraw/zinc/22/97/60/564229760.db2.gz BKDGZMDEUNGQDW-UHFFFAOYSA-N 1 0 379.302 2.939 20 0 GFADRO CS[C@@H]1CN(c2ccc(I)cn2)C[C@H]1[NH+]1CCCC1 ZINC000450454270 564233742 /nfs/dbraw/zinc/23/37/42/564233742.db2.gz KWYWXKHMVJVUED-CHWSQXEVSA-N 1 0 389.306 2.702 20 0 GFADRO COCCOC[C@@H](O)C[N@@H+]1CCC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000450491896 564235789 /nfs/dbraw/zinc/23/57/89/564235789.db2.gz YIQPJBCJPOWRGI-ZFWWWQNUSA-N 1 0 378.296 2.861 20 0 GFADRO CS[C@@H]1CN(C(=O)c2ccsc2NC(=O)c2ccco2)C[C@@H]1[NH+](C)C ZINC000540126447 564239841 /nfs/dbraw/zinc/23/98/41/564239841.db2.gz WRRIWFYXQRFHRJ-GXTWGEPZSA-N 1 0 379.507 2.711 20 0 GFADRO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)NCc1cc2c(c(Br)c1)OCO2 ZINC000564601758 564240526 /nfs/dbraw/zinc/24/05/26/564240526.db2.gz JGQMZZWWIUQHCR-LLVKDONJSA-N 1 0 386.290 2.706 20 0 GFADRO C[C@@H]([NH2+]CCS(=O)(=O)NC[C@H]1CCCCO1)c1ccc(Cl)c(F)c1 ZINC000540183533 564240936 /nfs/dbraw/zinc/24/09/36/564240936.db2.gz ZXEHNOOOZKSKCJ-TZMCWYRMSA-N 1 0 378.897 2.618 20 0 GFADRO C[C@H]([NH2+][C@H]1CCCN(S(C)(=O)=O)C1)c1ccc(Br)c(F)c1 ZINC000540174251 564240986 /nfs/dbraw/zinc/24/09/86/564240986.db2.gz OPCSMBRCHPPRHV-JQWIXIFHSA-N 1 0 379.295 2.663 20 0 GFADRO CCC[NH+]1CCC(CNS(=O)(=O)N(C)Cc2c(F)cccc2Cl)CC1 ZINC000507951905 564248958 /nfs/dbraw/zinc/24/89/58/564248958.db2.gz CQUZMIYNZPGFLD-UHFFFAOYSA-N 1 0 391.940 2.867 20 0 GFADRO O=C(c1cncc(I)c1)N1CCC[N@H+](CC2CCC2)CC1 ZINC000508020242 564250668 /nfs/dbraw/zinc/25/06/68/564250668.db2.gz DTGINGWMSIZMBQ-UHFFFAOYSA-N 1 0 399.276 2.634 20 0 GFADRO Cc1sc(Br)c(C(=O)N2CCC[N@@H+]([C@H](C)CO)CC2)c1C ZINC000508016034 564250914 /nfs/dbraw/zinc/25/09/14/564250914.db2.gz RGVUWTVMMHOZEL-SNVBAGLBSA-N 1 0 375.332 2.656 20 0 GFADRO CN(C(=O)c1cc(I)ccc1Cl)C1(C[NH3+])CCC1 ZINC000564840715 564251778 /nfs/dbraw/zinc/25/17/78/564251778.db2.gz SJADWSSASMAGBC-UHFFFAOYSA-N 1 0 378.641 2.898 20 0 GFADRO CCCSc1nsc(NC(=O)NC(C)(C)CC[NH+]2CCN(C)CC2)n1 ZINC000473725637 564253505 /nfs/dbraw/zinc/25/35/05/564253505.db2.gz ZOSZKRSCQMSUKT-UHFFFAOYSA-N 1 0 386.591 2.578 20 0 GFADRO O=S1(=O)CC[C@@]2(C1)C[C@H]([NH2+]Cc1csc(-c3ccccc3)n1)CCO2 ZINC000540687248 564255108 /nfs/dbraw/zinc/25/51/08/564255108.db2.gz GXDQJYRQRGKEFC-QAPCUYQASA-N 1 0 378.519 2.636 20 0 GFADRO CN(CC(=O)Nc1ccc(Br)cn1)C(=O)[C@@H]([NH3+])CC1CCCCC1 ZINC000564897852 564255436 /nfs/dbraw/zinc/25/54/36/564255436.db2.gz SRSRTMNSWJYMDZ-AWEZNQCLSA-N 1 0 397.317 2.539 20 0 GFADRO CCN(CCC[NH+](CC)CC)C(=O)c1ccc(Cl)c(NS(C)(=O)=O)c1 ZINC000508203386 564257782 /nfs/dbraw/zinc/25/77/82/564257782.db2.gz DERMSYRKMXCSIY-UHFFFAOYSA-N 1 0 389.949 2.906 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)c(C)c1C(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000564995482 564261961 /nfs/dbraw/zinc/26/19/61/564261961.db2.gz XYHMCIFOBHLRGG-BZNIZROVSA-N 1 0 391.313 2.979 20 0 GFADRO COc1cc(S(=O)(=O)NCC[N@@H+]2CCCC[C@H]2C)ccc1Br ZINC000474036718 564262354 /nfs/dbraw/zinc/26/23/54/564262354.db2.gz UTGFTCXVZRLECL-GFCCVEGCSA-N 1 0 391.331 2.610 20 0 GFADRO C[C@](CO)([NH2+]C[C@@H](O)COc1ccc(Cl)cc1Cl)c1cccc(O)c1 ZINC000451042543 564266863 /nfs/dbraw/zinc/26/68/63/564266863.db2.gz VYHGKZPJDGEOGL-CRAIPNDOSA-N 1 0 386.275 2.936 20 0 GFADRO Cc1cc2c(o1)c(C(=O)NCC1CC[NH+](CCO)CC1)ccc2Br ZINC000474159746 564267485 /nfs/dbraw/zinc/26/74/85/564267485.db2.gz RGJUGAZVELIWNJ-UHFFFAOYSA-N 1 0 395.297 2.938 20 0 GFADRO O=C1NCC[C@@H]1CC[N@H+]1CC[C@@H](Cc2cccc(I)c2)C1 ZINC000565171416 564269879 /nfs/dbraw/zinc/26/98/79/564269879.db2.gz LSJZGOBJSDRSIX-LSDHHAIUSA-N 1 0 398.288 2.682 20 0 GFADRO CC[C@H](Cc1ccccc1Br)NC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC000541237377 564270621 /nfs/dbraw/zinc/27/06/21/564270621.db2.gz JBEYNHHVXPSSHE-GDBMZVCRSA-N 1 0 383.330 2.855 20 0 GFADRO C[C@@H]1CCC[N@H+](CCNC(=O)NCCOc2ncc(Cl)cc2Cl)C1 ZINC000474252782 564271310 /nfs/dbraw/zinc/27/13/10/564271310.db2.gz UAFFPGRLOFQCMX-GFCCVEGCSA-N 1 0 375.300 2.798 20 0 GFADRO CCCS(=O)(=O)Nc1cc(Br)ccc1N1CC[N@H+](C)C[C@H]1C ZINC000451090800 564273124 /nfs/dbraw/zinc/27/31/24/564273124.db2.gz PONCKKYNLVZBLO-GFCCVEGCSA-N 1 0 390.347 2.741 20 0 GFADRO O=C(NCC[N@H+]1CC=CCC1)N[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000474308101 564274273 /nfs/dbraw/zinc/27/42/73/564274273.db2.gz LCVHTLDKDQEOLU-MRXNPFEDSA-N 1 0 393.329 2.589 20 0 GFADRO CCN(CCC[NH+](C)C)C(=O)c1ccc(I)cc1F ZINC000451107468 564275777 /nfs/dbraw/zinc/27/57/77/564275777.db2.gz RUTNIILJBGHWOK-UHFFFAOYSA-N 1 0 378.229 2.844 20 0 GFADRO COc1ccc2nc(C[NH2+]C[C@@]3(N4CCOCC4)CCSC3)sc2c1 ZINC000474357454 564276276 /nfs/dbraw/zinc/27/62/76/564276276.db2.gz SUMDRKNBZGVNGH-SFHVURJKSA-N 1 0 379.551 2.602 20 0 GFADRO CCCS(=O)(=O)N1CCC([NH2+]Cc2nc3ccc(OC)cc3s2)CC1 ZINC000474358659 564276313 /nfs/dbraw/zinc/27/63/13/564276313.db2.gz SZUWMZGNOKYGNL-UHFFFAOYSA-N 1 0 383.539 2.599 20 0 GFADRO C[C@H](NC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1)c1ncc(Br)cn1 ZINC000565373274 564278023 /nfs/dbraw/zinc/27/80/23/564278023.db2.gz NYJJCSALCHCWFU-SMDDNHRTSA-N 1 0 399.358 2.634 20 0 GFADRO C[C@@H]1CCO[C@@H]1C(=O)Nc1ccc(CN2CC[NH+](C)CC2)c(Br)c1 ZINC000451124522 564278237 /nfs/dbraw/zinc/27/82/37/564278237.db2.gz XNKOKBPNIKASBF-DYVFJYSZSA-N 1 0 396.329 2.560 20 0 GFADRO C[NH+](C)[C@]1(CNC(=O)NCc2c(F)cccc2OC(F)F)CCSC1 ZINC000474489028 564279444 /nfs/dbraw/zinc/27/94/44/564279444.db2.gz AHWZHUPRGHFANB-INIZCTEOSA-N 1 0 377.432 2.664 20 0 GFADRO COCCCNC(=O)C[NH+]1CCC(C)(c2cccc(Br)c2)CC1 ZINC000509051132 564279805 /nfs/dbraw/zinc/27/98/05/564279805.db2.gz AQAHFKFBIPRAPE-UHFFFAOYSA-N 1 0 383.330 2.955 20 0 GFADRO C[C@H]1C[NH+](CC2CCN(S(=O)(=O)c3sccc3Cl)CC2)C[C@H](C)O1 ZINC000451159219 564281466 /nfs/dbraw/zinc/28/14/66/564281466.db2.gz PKWXDBFJABOBDW-STQMWFEESA-N 1 0 392.974 2.911 20 0 GFADRO O[C@H](CNC1CC([NH+]2CCCCC2)C1)COc1ccc(Br)cc1 ZINC000565476815 564283009 /nfs/dbraw/zinc/28/30/09/564283009.db2.gz POGOYPCIVASKRL-OFLPRAFFSA-N 1 0 383.330 2.795 20 0 GFADRO CSC[C@H](O)C[N@@H+]1CC[C@@H](Cc2cccc(I)c2)C1 ZINC000451196164 564285118 /nfs/dbraw/zinc/28/51/18/564285118.db2.gz VUGNOAVCKFUHKX-DZGCQCFKSA-N 1 0 391.318 2.880 20 0 GFADRO CCCC[N@H+](C)CCNS(=O)(=O)Cc1ccc(Br)c(F)c1 ZINC000451188418 564285552 /nfs/dbraw/zinc/28/55/52/564285552.db2.gz DOGDYZYFZNTVRQ-UHFFFAOYSA-N 1 0 381.311 2.740 20 0 GFADRO CC[N@@H+]1CCC[C@H](CNC(=O)c2cc(I)ccc2F)C1 ZINC000541720857 564287032 /nfs/dbraw/zinc/28/70/32/564287032.db2.gz CTKAPBILWDYPAK-LLVKDONJSA-N 1 0 390.240 2.892 20 0 GFADRO Cc1nc(CNC(=O)NCC2CC[NH+](C3CC3)CC2)sc1Br ZINC000565582016 564287470 /nfs/dbraw/zinc/28/74/70/564287470.db2.gz GIQBBTXDZLDFAA-UHFFFAOYSA-N 1 0 387.347 2.888 20 0 GFADRO CCS(=O)(=O)N1CCC(C[NH2+]Cc2ccc(C)cc2Br)CC1 ZINC000541777558 564289041 /nfs/dbraw/zinc/28/90/41/564289041.db2.gz FUCWXTXROCTVET-UHFFFAOYSA-N 1 0 389.359 2.909 20 0 GFADRO CCOC(=O)c1coc(C[NH2+]C[C@H](O)COc2ccccc2Br)c1 ZINC000474794535 564289593 /nfs/dbraw/zinc/28/95/93/564289593.db2.gz DZAVQPONYZMTRL-ZDUSSCGKSA-N 1 0 398.253 2.748 20 0 GFADRO CC[NH+](CC)CCOCCNC(=O)N[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000541818192 564289719 /nfs/dbraw/zinc/28/97/19/564289719.db2.gz YKISLYQZURJUQK-DLBZAZTESA-N 1 0 398.345 2.963 20 0 GFADRO Fc1ccc(I)c(F)c1C[NH2+]CCCO[C@H]1CCOC1 ZINC000474819837 564289883 /nfs/dbraw/zinc/28/98/83/564289883.db2.gz XGZDQFJWYMOMOR-JTQLQIEISA-N 1 0 397.203 2.855 20 0 GFADRO C[C@H](CCc1ccc(I)cc1)[NH2+]CCC[S@@](C)=O ZINC000474810861 564289933 /nfs/dbraw/zinc/28/99/33/564289933.db2.gz PZNCCEQSLKHFNS-KZULUSFZSA-N 1 0 379.307 2.971 20 0 GFADRO C[C@@H](CCc1ccc(I)cc1)[NH2+]CCC[S@@](C)=O ZINC000474810860 564290328 /nfs/dbraw/zinc/29/03/28/564290328.db2.gz PZNCCEQSLKHFNS-KPZWWZAWSA-N 1 0 379.307 2.971 20 0 GFADRO O=C(Nc1cnn(-c2ncc(Cl)cc2Cl)c1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000565645385 564290046 /nfs/dbraw/zinc/29/00/46/564290046.db2.gz JTIBPVWVCXZPRB-MRXNPFEDSA-N 1 0 381.267 2.791 20 0 GFADRO Fc1ccc(I)c(F)c1C[NH2+][C@@H]1CCc2c[nH]nc2C1 ZINC000474812740 564290475 /nfs/dbraw/zinc/29/04/75/564290475.db2.gz AGYLEQYZISTDAE-SECBINFHSA-N 1 0 389.187 2.940 20 0 GFADRO C[C@H]1c2ccsc2CCN1C(=O)C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000565706249 564291713 /nfs/dbraw/zinc/29/17/13/564291713.db2.gz PHCYZRLAAIEHGZ-JSGCOSHPSA-N 1 0 377.535 2.674 20 0 GFADRO O=C(NCCNc1ncc(C(F)(F)F)cc1Cl)N[C@H]1CCCC[NH2+]C1 ZINC000565704958 564292296 /nfs/dbraw/zinc/29/22/96/564292296.db2.gz IWQNYDOUFYGJLK-NSHDSACASA-N 1 0 379.814 2.607 20 0 GFADRO CC[NH+](CC)CCO[C@@H]1CCN(S(=O)(=O)C[C@H]2CCCCC2(F)F)C1 ZINC000451266829 564293279 /nfs/dbraw/zinc/29/32/79/564293279.db2.gz HDBHHLYFVQVSJS-HZPDHXFCSA-N 1 0 382.517 2.574 20 0 GFADRO COC[C@@H](C[NH2+][C@H](C)CCc1ccc(I)cc1)OC ZINC000474925106 564293704 /nfs/dbraw/zinc/29/37/04/564293704.db2.gz IPDOHEIZAMAREU-IUODEOHRSA-N 1 0 377.266 2.863 20 0 GFADRO CN(C)S(=O)(=O)CC[NH2+]C1(c2ccc(Br)cc2)CCCC1 ZINC000509371499 564294407 /nfs/dbraw/zinc/29/44/07/564294407.db2.gz JCYZTJWNBGRNBM-UHFFFAOYSA-N 1 0 375.332 2.699 20 0 GFADRO CCOc1cccc(C[NH2+]CCNS(=O)(=O)c2ccc(F)cc2Cl)c1 ZINC000509405293 564296654 /nfs/dbraw/zinc/29/66/54/564296654.db2.gz ZSAQKXBNNGBVGC-UHFFFAOYSA-N 1 0 386.876 2.946 20 0 GFADRO COc1c(Br)cccc1C[NH2+]CCc1nnnn1-c1ccccc1 ZINC000509430016 564298731 /nfs/dbraw/zinc/29/87/31/564298731.db2.gz NKZVTKCMRYRUCN-UHFFFAOYSA-N 1 0 388.269 2.766 20 0 GFADRO C[N@@H+]1CCN(CCNc2ccc(Br)c(C(F)(F)F)n2)CC1(C)C ZINC000565850702 564298876 /nfs/dbraw/zinc/29/88/76/564298876.db2.gz FXRLGXPBPBSTEW-UHFFFAOYSA-N 1 0 395.267 3.301 20 0 GFADRO C[C@@H]1C[N@H+](C)[C@H](C)CN1Cc1noc(Cc2ccc(Br)cc2)n1 ZINC000509460655 564300427 /nfs/dbraw/zinc/30/04/27/564300427.db2.gz AVOGMQVDFCHDCY-CHWSQXEVSA-N 1 0 379.302 2.947 20 0 GFADRO CC(C)N1C(=O)C[C@H]([NH2+][C@H](C)CS(C)(=O)=O)[C@H]1c1ccc(Cl)c(F)c1 ZINC000542160537 564302876 /nfs/dbraw/zinc/30/28/76/564302876.db2.gz PUXWFJQYCQUFRZ-XQAQDONZSA-N 1 0 390.908 2.552 20 0 GFADRO [NH3+][C@H]1CCO[C@H](C2CCN(C(=O)COc3ccccc3Br)CC2)C1 ZINC000565945331 564303565 /nfs/dbraw/zinc/30/35/65/564303565.db2.gz BRPHFONIXFECJK-YOEHRIQHSA-N 1 0 397.313 2.573 20 0 GFADRO C[C@H]([N@H+](C)C[C@H](O)COc1ccc(Cl)cc1Br)C(C)(C)O ZINC000451356246 564304553 /nfs/dbraw/zinc/30/45/53/564304553.db2.gz AMODCKBTTBKKPK-JQWIXIFHSA-N 1 0 380.710 2.933 20 0 GFADRO O[C@@H]1CC[C@@H]2C[N@H+](CCCOc3cccc(I)c3)C[C@H]12 ZINC000542245713 564306841 /nfs/dbraw/zinc/30/68/41/564306841.db2.gz PXFQRLJYMATAKF-UHOFOFEASA-N 1 0 387.261 2.763 20 0 GFADRO C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)[C@H]1CCN(c2cc(Cl)ccc2Cl)C1=O ZINC000509651529 564308218 /nfs/dbraw/zinc/30/82/18/564308218.db2.gz LALAZHGJOIMQSP-BZPMIXESSA-N 1 0 384.307 2.897 20 0 GFADRO CC[NH+](CC)CCOCCNS(=O)(=O)c1cccc2c(Cl)ccnc21 ZINC000451394940 564308409 /nfs/dbraw/zinc/30/84/09/564308409.db2.gz MGBHQCYPOUBZAG-UHFFFAOYSA-N 1 0 385.917 2.525 20 0 GFADRO COC[C@H](Cc1ccccc1)[NH2+][C@@H](C(N)=O)c1cccc(Br)c1 ZINC000475447948 564308531 /nfs/dbraw/zinc/30/85/31/564308531.db2.gz VTEFPRDGBIVSDU-DLBZAZTESA-N 1 0 377.282 2.823 20 0 GFADRO COC[C@@H](Cc1ccccc1)[NH2+][C@H](C(N)=O)c1cccc(Br)c1 ZINC000475447952 564309073 /nfs/dbraw/zinc/30/90/73/564309073.db2.gz VTEFPRDGBIVSDU-SJORKVTESA-N 1 0 377.282 2.823 20 0 GFADRO O=C(Cc1ccc(F)c(Br)c1)N1CC[C@H](OCC[NH+]2CCCC2)C1 ZINC000475453953 564309750 /nfs/dbraw/zinc/30/97/50/564309750.db2.gz OUWIYDFEWYXPAO-HNNXBMFYSA-N 1 0 399.304 2.844 20 0 GFADRO Cc1ccc(SC2(C[NH2+]CC3(O)CCS(=O)(=O)CC3)CCCC2)cc1 ZINC000566113160 564310627 /nfs/dbraw/zinc/31/06/27/564310627.db2.gz WGGIICNQJKVLQI-UHFFFAOYSA-N 1 0 383.579 2.929 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S(=O)(=O)CC[NH2+]CCC1(F)CCC1 ZINC000566129121 564311484 /nfs/dbraw/zinc/31/14/84/564311484.db2.gz WVAPOXRAETXCOG-UHFFFAOYSA-N 1 0 391.530 2.516 20 0 GFADRO Cc1ccc(Cl)c(OC[C@H](O)C[NH2+]CCn2cc(Br)cn2)c1 ZINC000566128798 564311692 /nfs/dbraw/zinc/31/16/92/564311692.db2.gz LDQQHVXGSFAMNH-CYBMUJFWSA-N 1 0 388.693 2.637 20 0 GFADRO C[N@H+](CCNS(=O)(=O)c1ccc2cc(Br)ccc2c1)C1CC1 ZINC000475588804 564313440 /nfs/dbraw/zinc/31/34/40/564313440.db2.gz MXAYTMJNXJABJO-UHFFFAOYSA-N 1 0 383.311 2.975 20 0 GFADRO CC[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCN(C(=O)c2cccc(Cl)c2Cl)CC1 ZINC000566167738 564313640 /nfs/dbraw/zinc/31/36/40/564313640.db2.gz JUAWVSKDILDJIK-DOMZBBRYSA-N 1 0 384.307 2.666 20 0 GFADRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)C(=O)Nc1c(F)cccc1Br ZINC000509791950 564313890 /nfs/dbraw/zinc/31/38/90/564313890.db2.gz PEXLKPFRGAJJLU-FZMZJTMJSA-N 1 0 398.276 2.612 20 0 GFADRO COC[C@H](C)[NH2+]C[C@@H]1CCCN1Cc1ccc(I)cc1 ZINC000475631719 564314750 /nfs/dbraw/zinc/31/47/50/564314750.db2.gz CGQMULDNCPQZKX-BBRMVZONSA-N 1 0 388.293 2.880 20 0 GFADRO C[C@H](C[C@H](C)[NH3+])NC(=O)N1CCO[C@H](c2ccc(F)c(Br)c2)C1 ZINC000566192967 564315079 /nfs/dbraw/zinc/31/50/79/564315079.db2.gz GCMAJZFUJAPEGF-RWSFTLGLSA-N 1 0 388.281 2.797 20 0 GFADRO C[NH2+]CC1CCN(C(=O)CNC(=O)c2sc3ccccc3c2Cl)CC1 ZINC000566199814 564316156 /nfs/dbraw/zinc/31/61/56/564316156.db2.gz YXARZFPRVYXDCQ-UHFFFAOYSA-N 1 0 379.913 2.743 20 0 GFADRO C[C@@H](NC(=O)c1cccn1-c1ccc(I)cc1)[C@H](C)[NH3+] ZINC000566214101 564316891 /nfs/dbraw/zinc/31/68/91/564316891.db2.gz FVAYHCAWQLRDGB-WDEREUQCSA-N 1 0 383.233 2.547 20 0 GFADRO O=S1(=O)CCCN1CC[N@@H+](Cc1cccc(Br)c1)CC1CC1 ZINC000475732857 564317688 /nfs/dbraw/zinc/31/76/88/564317688.db2.gz IZPFJCXXWWZNEO-UHFFFAOYSA-N 1 0 387.343 2.697 20 0 GFADRO C[C@](O)(C[NH2+]C[C@H](CO)Cc1ccc(F)c(Br)c1)C(F)(F)F ZINC000566232385 564317819 /nfs/dbraw/zinc/31/78/19/564317819.db2.gz NSFIZIIQXFLHDT-MFKMUULPSA-N 1 0 388.199 2.642 20 0 GFADRO C[C@H]([NH2+]CC(=O)Nc1cccc(I)c1)[C@@H]1CCCOC1 ZINC000542576329 564318200 /nfs/dbraw/zinc/31/82/00/564318200.db2.gz FWPSQRDIEXOJES-NWDGAFQWSA-N 1 0 388.249 2.634 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCN(S(=O)(=O)Cc2cc(Cl)ccc2Br)C1 ZINC000566224306 564318443 /nfs/dbraw/zinc/31/84/43/564318443.db2.gz XAQSWNXIFPFVMV-VHSXEESVSA-N 1 0 381.723 2.601 20 0 GFADRO Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+]CC1(O)CCS(=O)(=O)CC1 ZINC000542589672 564319180 /nfs/dbraw/zinc/31/91/80/564319180.db2.gz FDQSDTKCDPONLG-ZDUSSCGKSA-N 1 0 380.535 2.709 20 0 GFADRO Cn1ccc([C@H]([NH2+]CCC2CCS(=O)(=O)CC2)c2ccc(Cl)cc2)n1 ZINC000542704758 564321778 /nfs/dbraw/zinc/32/17/78/564321778.db2.gz PIXQCQIRYXJBIG-GOSISDBHSA-N 1 0 381.929 2.967 20 0 GFADRO COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N1CCC(CC[NH3+])CC1 ZINC000566356373 564324606 /nfs/dbraw/zinc/32/46/06/564324606.db2.gz WTNTYNWBMQSWOI-CYBMUJFWSA-N 1 0 390.933 2.503 20 0 GFADRO C[N@H+](C[C@H](O)COc1ccc(Cl)cc1Br)[C@H]1CCCOC1 ZINC000510102611 564325327 /nfs/dbraw/zinc/32/53/27/564325327.db2.gz TTWUNHCKXSYROH-STQMWFEESA-N 1 0 378.694 2.953 20 0 GFADRO O=C1NCC[C@@H]1CC[NH2+][C@H](CO)c1ccc(Br)cc1C(F)(F)F ZINC000566417638 564326677 /nfs/dbraw/zinc/32/66/77/564326677.db2.gz SFEOMTQTEIKNKI-TVQRCGJNSA-N 1 0 395.219 2.617 20 0 GFADRO CS(=O)(=O)N1CC[C@@H](C[N@@H+]2CC[C@H](c3cccc(Br)c3)C2)C1 ZINC000451568997 564326844 /nfs/dbraw/zinc/32/68/44/564326844.db2.gz NHLMZFAXLDDHIE-ZFWWWQNUSA-N 1 0 387.343 2.520 20 0 GFADRO C[C@@H]1[C@H]([N@H+](C)CCO)CCN1S(=O)(=O)c1sc2ccccc2c1Cl ZINC000451579183 564328286 /nfs/dbraw/zinc/32/82/86/564328286.db2.gz JUYQBDJLVUHLHL-DGCLKSJQSA-N 1 0 388.942 2.630 20 0 GFADRO COC(=O)c1ccc(C[NH2+][C@H]2CCN(c3ccc(Br)cc3)C2)[nH]1 ZINC000542852752 564328938 /nfs/dbraw/zinc/32/89/38/564328938.db2.gz BNJGZRSPFRSBOS-AWEZNQCLSA-N 1 0 378.270 2.932 20 0 GFADRO CCOC(=O)[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C(N)=O)c1ccc(Br)cc1 ZINC000451602684 564330384 /nfs/dbraw/zinc/33/03/84/564330384.db2.gz XTJAWIVMXGQMRA-QLFBSQMISA-N 1 0 383.286 2.687 20 0 GFADRO CC[C@@H](C)[NH2+][C@H](CNS(=O)(=O)c1cc(C(=O)OC)cs1)c1ccco1 ZINC000510361503 564331073 /nfs/dbraw/zinc/33/10/73/564331073.db2.gz CNCWGDQAEHVLDG-DGCLKSJQSA-N 1 0 386.495 2.535 20 0 GFADRO CN(Cc1ccccc1Br)C(=O)C[NH2+][C@@H](CO)C1CCCCC1 ZINC000542910519 564331791 /nfs/dbraw/zinc/33/17/91/564331791.db2.gz VAMLHWONIOAUKV-KRWDZBQOSA-N 1 0 383.330 2.938 20 0 GFADRO COc1ccc(CN2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)c(Br)c1O ZINC000566592672 564333199 /nfs/dbraw/zinc/33/31/99/564333199.db2.gz UYQMSNFZRSACTK-IJEWVQPXSA-N 1 0 399.329 2.847 20 0 GFADRO C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000566737118 564340895 /nfs/dbraw/zinc/34/08/95/564340895.db2.gz XYBKYMAEYJDAQF-JHJVBQTASA-N 1 0 386.323 2.993 20 0 GFADRO CCc1n[nH]c(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)c1Br ZINC000566771911 564342211 /nfs/dbraw/zinc/34/22/11/564342211.db2.gz PMWQQDXDYVXTAP-CJNGLKHVSA-N 1 0 377.286 2.910 20 0 GFADRO CN(C)C(=O)[C@@H]1CCCN1CCC[NH2+][C@@H]1CCc2ccc(Br)cc21 ZINC000510656934 564342396 /nfs/dbraw/zinc/34/23/96/564342396.db2.gz NQIIJHBIAWKJFF-MSOLQXFVSA-N 1 0 394.357 2.969 20 0 GFADRO O[C@H](COc1ccc(Br)cc1)C[N@@H+]1CC[C@H]2C[C@H](O)CC[C@@H]2C1 ZINC000451718276 564343312 /nfs/dbraw/zinc/34/33/12/564343312.db2.gz WFJQYKGLVJANPR-ABFRBSLYSA-N 1 0 384.314 2.672 20 0 GFADRO CC[NH+](CC)CCNC(=O)N[C@@H]1CCN(c2ccccc2Br)C1 ZINC000476559552 564345307 /nfs/dbraw/zinc/34/53/07/564345307.db2.gz CLJKBZDCBHCSLN-CQSZACIVSA-N 1 0 383.334 2.669 20 0 GFADRO CS(=O)(=O)N[C@H]1CCCC[C@@H]1[NH2+]CCOc1ccccc1C(F)(F)F ZINC000510761925 564346378 /nfs/dbraw/zinc/34/63/78/564346378.db2.gz JCDMSCBSWRRPHO-KBPBESRZSA-N 1 0 380.432 2.534 20 0 GFADRO O=C(N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1)N[C@H]1C[NH2+]CCC1(F)F ZINC000566904705 564348459 /nfs/dbraw/zinc/34/84/59/564348459.db2.gz OSLNPONRLQVOQH-BIMULSAOSA-N 1 0 392.219 2.741 20 0 GFADRO O[C@H](C[NH2+][C@H]1CCO[C@@]2(CCOC2)C1)COc1cc(Cl)ccc1Cl ZINC000566909955 564349018 /nfs/dbraw/zinc/34/90/18/564349018.db2.gz UQDLMCUWKWBNJH-VBQJREDUSA-N 1 0 376.280 2.661 20 0 GFADRO C[C@H]([NH2+]C1CC1)C(=O)N1CCN([C@@H](C)c2ccc(Br)cc2)CC1 ZINC000566912752 564349086 /nfs/dbraw/zinc/34/90/86/564349086.db2.gz KIVXFJWDWRLRQD-KBPBESRZSA-N 1 0 380.330 2.795 20 0 GFADRO C[C@@H](O)C[N@@H+]1CCN(C(=O)NCC(F)(F)c2ccc(Cl)cc2)[C@@H](C)C1 ZINC000510892087 564349283 /nfs/dbraw/zinc/34/92/83/564349283.db2.gz FQAHCEQAAVCHQW-QWHCGFSZSA-N 1 0 375.847 2.528 20 0 GFADRO CCC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1ccc(Br)c(F)c1 ZINC000511003341 564352727 /nfs/dbraw/zinc/35/27/27/564352727.db2.gz OHDJRIQARHXZNC-NSHDSACASA-N 1 0 379.295 2.741 20 0 GFADRO CCC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1cccc(Br)c1F ZINC000511020251 564353865 /nfs/dbraw/zinc/35/38/65/564353865.db2.gz XJWVIYKLJDOXNP-NSHDSACASA-N 1 0 379.295 2.741 20 0 GFADRO CC1(C)COC[C@H]1[NH2+]C[C@H](O)COc1ccc(Cl)cc1Br ZINC000451813762 564353992 /nfs/dbraw/zinc/35/39/92/564353992.db2.gz VYFOJWJHFKKROX-SMDDNHRTSA-N 1 0 378.694 2.857 20 0 GFADRO C[C@@H](CNC(=O)c1c[nH]c2ccc(Br)cc12)C[NH+]1CCN(C)CC1 ZINC000511047675 564354978 /nfs/dbraw/zinc/35/49/78/564354978.db2.gz PJUCAJKPNSBFRS-ZDUSSCGKSA-N 1 0 393.329 2.544 20 0 GFADRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)Nc1ccc(F)cc1I ZINC000543626966 564356590 /nfs/dbraw/zinc/35/65/90/564356590.db2.gz OMKUUKBDQOLRLA-NXEZZACHSA-N 1 0 391.228 2.987 20 0 GFADRO C[C@@H](c1ccc(OC(F)F)cc1)[N@@H+]1CCC[C@H](CN(C)S(C)(=O)=O)C1 ZINC000511082620 564356883 /nfs/dbraw/zinc/35/68/83/564356883.db2.gz TXDYNVUPFLGGTG-UONOGXRCSA-N 1 0 376.469 2.952 20 0 GFADRO CN(CCC[NH+](C)C)C(=O)Nc1nnc(COc2ccc(Cl)cc2)s1 ZINC000567096325 564357230 /nfs/dbraw/zinc/35/72/30/564357230.db2.gz SASDCMFBKAUOQB-UHFFFAOYSA-N 1 0 383.905 3.186 20 0 GFADRO C[C@H]([NH2+]C[C@H]1CCCCN1S(=O)(=O)N(C)C)c1cnc2ccsc2c1 ZINC000567115847 564358238 /nfs/dbraw/zinc/35/82/38/564358238.db2.gz IZILBEZSTFOJQC-DZGCQCFKSA-N 1 0 382.555 2.608 20 0 GFADRO CC[C@@H](Cc1cccc(Br)c1)C(=O)NC[C@]1(O)C[NH+]2CCC1CC2 ZINC000567122485 564358251 /nfs/dbraw/zinc/35/82/51/564358251.db2.gz ILTDTEVEBRXQFB-KXBFYZLASA-N 1 0 395.341 2.591 20 0 GFADRO O[C@@H]1C[C@@H]([C@H]2CCCOC2)[N@H+](Cc2cc3c(cc2Br)OCO3)C1 ZINC000567190009 564361304 /nfs/dbraw/zinc/36/13/04/564361304.db2.gz WYRFQDWAFOARCQ-LNSITVRQSA-N 1 0 384.270 2.540 20 0 GFADRO COc1cc(Br)c(CN2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)cc1O ZINC000567243055 564363081 /nfs/dbraw/zinc/36/30/81/564363081.db2.gz MQZNOEPHKWDYKT-YOEHRIQHSA-N 1 0 399.329 2.882 20 0 GFADRO CC[C@H](C)[N@H+](C)CCNC(=O)N[C@@H](CCO)c1ccccc1Br ZINC000543824013 564364545 /nfs/dbraw/zinc/36/45/45/564364545.db2.gz WUOKUPWTICKOBQ-BBRMVZONSA-N 1 0 386.334 2.902 20 0 GFADRO C[C@H]1CCC[N@H+](CCNC(=O)N[C@@H](CCO)c2ccccc2Br)C1 ZINC000543820301 564364606 /nfs/dbraw/zinc/36/46/06/564364606.db2.gz XDMLPCRSXZKQRV-YOEHRIQHSA-N 1 0 398.345 2.904 20 0 GFADRO CCN1CCN(S(=O)(=O)c2cc(Br)ccc2Cl)[C@H](C)C1 ZINC000511270675 564364996 /nfs/dbraw/zinc/36/49/96/564364996.db2.gz JGVOOWBTFAXMJV-SNVBAGLBSA-N 1 0 381.723 2.817 20 0 GFADRO CS[C@H]1CN(S(=O)(=O)c2ccc(Cl)cc2F)C[C@@H]1[NH+]1CCCC1 ZINC000477126502 564365457 /nfs/dbraw/zinc/36/54/57/564365457.db2.gz KQCLENDWASFYFS-KBPBESRZSA-N 1 0 378.922 2.679 20 0 GFADRO COc1ccc(S(=O)(=O)N2C[C@H](SC)[C@@H]([NH+]3CCCC3)C2)c(C)c1C ZINC000477132836 564366119 /nfs/dbraw/zinc/36/61/19/564366119.db2.gz DRIQRAHTJOEFLM-RDJZCZTQSA-N 1 0 384.567 2.512 20 0 GFADRO C[C@H](c1cccc(Br)c1)N1CC[NH+]([C@H]2CCNC(=O)CC2)CC1 ZINC000451914135 564366774 /nfs/dbraw/zinc/36/67/74/564366774.db2.gz DGNYFJLWLPBALM-RHSMWYFYSA-N 1 0 380.330 2.796 20 0 GFADRO O=C(NCC[C@H]1CCC[NH2+]C1)N[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000567362579 564369020 /nfs/dbraw/zinc/36/90/20/564369020.db2.gz JJUXPMGYYIQDKA-GDBMZVCRSA-N 1 0 395.345 2.717 20 0 GFADRO CC[NH+](CC)C[C@H](C)NC(=O)c1ccc(OC)c(I)c1 ZINC000477212894 564369822 /nfs/dbraw/zinc/36/98/22/564369822.db2.gz DJVVPURHPRNPJD-NSHDSACASA-N 1 0 390.265 2.760 20 0 GFADRO O=C(C[N@@H+]1CCC[C@]2(CCSC2)C1)N1CCN(Cc2ccsc2)CC1 ZINC000451958885 564372545 /nfs/dbraw/zinc/37/25/45/564372545.db2.gz AHBKEQJIKZBFQP-IBGZPJMESA-N 1 0 379.595 2.611 20 0 GFADRO Cc1cccc(CNC(=O)C[NH2+][C@@](C)(CO)c2ccc(Br)cc2)c1 ZINC000511565863 564375168 /nfs/dbraw/zinc/37/51/68/564375168.db2.gz KXUYWSOPVJVGJK-IBGZPJMESA-N 1 0 391.309 2.871 20 0 GFADRO O=S1(=O)CCCN1CC[NH2+][C@@H](c1cccc(OC(F)(F)F)c1)C1CC1 ZINC000511579264 564376854 /nfs/dbraw/zinc/37/68/54/564376854.db2.gz UKXCBEAOMKNJDZ-OAHLLOKOSA-N 1 0 378.416 2.661 20 0 GFADRO O=C(NCC[C@@H]1CCC[NH2+]C1)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000567572510 564377555 /nfs/dbraw/zinc/37/75/55/564377555.db2.gz BVURRDGPFAGVSK-ZDUSSCGKSA-N 1 0 386.327 2.610 20 0 GFADRO Cc1ccc(C[C@@H](CO)[NH2+][C@H](C)Cn2cc(Br)ccc2=O)cc1 ZINC000567633062 564380731 /nfs/dbraw/zinc/38/07/31/564380731.db2.gz MTMNBYBWFVPSBS-PBHICJAKSA-N 1 0 379.298 2.501 20 0 GFADRO CN(C)Cc1cnc(C[NH2+]C[C@H](CO)Cc2ccccc2Br)s1 ZINC000511783001 564381933 /nfs/dbraw/zinc/38/19/33/564381933.db2.gz ANPYFZFYTXCGED-CYBMUJFWSA-N 1 0 398.370 2.908 20 0 GFADRO Cc1ccc(CC(=O)N2C[C@H](C[NH3+])C3(C2)CCOCC3)cc1Br ZINC000567733886 564386586 /nfs/dbraw/zinc/38/65/86/564386586.db2.gz XGCSLLVBUFDBCX-HNNXBMFYSA-N 1 0 381.314 2.514 20 0 GFADRO C[C@H](C[NH2+][C@H](Cc1ccccc1)C(N)=O)Oc1ccc(Br)cc1 ZINC000544640407 564392037 /nfs/dbraw/zinc/39/20/37/564392037.db2.gz XQTINPHBKFSLFV-CXAGYDPISA-N 1 0 377.282 2.903 20 0 GFADRO C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000567846030 564392087 /nfs/dbraw/zinc/39/20/87/564392087.db2.gz RSZUNFSJJNHFOV-PELKAZGASA-N 1 0 397.647 2.983 20 0 GFADRO COc1ccc(Br)c(S(=O)(=O)N(C)[C@H]2CC[N@@H+](C(C)C)C2)c1 ZINC000452101459 564392514 /nfs/dbraw/zinc/39/25/14/564392514.db2.gz GRQLPXNCRZNKDK-LBPRGKRZSA-N 1 0 391.331 2.561 20 0 GFADRO CN(Cc1ccccc1Br)C(=O)C[N@@H+]1CC(C)(C)[C@@H]2COC[C@@H]21 ZINC000452105998 564392546 /nfs/dbraw/zinc/39/25/46/564392546.db2.gz NKNXDNMUCVWXIP-ZBFHGGJFSA-N 1 0 381.314 2.764 20 0 GFADRO O[C@@H](C[NH2+]Cc1cscc1Br)COc1ccc2c(c1)OCO2 ZINC000512125265 564392653 /nfs/dbraw/zinc/39/26/53/564392653.db2.gz VNFSRWPAVKEBDX-NSHDSACASA-N 1 0 386.267 2.769 20 0 GFADRO CC[C@H]([NH3+])CNC(=O)c1ccc(Br)cc1I ZINC000567849419 564393017 /nfs/dbraw/zinc/39/30/17/564393017.db2.gz YKHFQJZAUSTFNR-QMMMGPOBSA-N 1 0 397.054 2.521 20 0 GFADRO CC(C)[C@H](O)C1(C[NH2+]CCS(=O)(=O)c2cccc(Br)c2)CC1 ZINC000567873187 564393551 /nfs/dbraw/zinc/39/35/51/564393551.db2.gz PKZZRVWHTFVISO-HNNXBMFYSA-N 1 0 390.343 2.610 20 0 GFADRO COc1ccc(Br)cc1CNC(=O)[C@@H]1[NH2+]CCc2ccccc21 ZINC000567890735 564395069 /nfs/dbraw/zinc/39/50/69/564395069.db2.gz CYAIUPFURBUWKI-QGZVFWFLSA-N 1 0 375.266 2.961 20 0 GFADRO CC(C)(C)NC(=O)NC(=O)C[NH2+][C@@H](CCO)c1ccc(Cl)c(Cl)c1 ZINC000512215790 564395736 /nfs/dbraw/zinc/39/57/36/564395736.db2.gz XQULZOUHDFGAFQ-ZDUSSCGKSA-N 1 0 376.284 2.631 20 0 GFADRO CCC[C@@]1([NH2+]CCS(=O)(=O)c2ccc(Br)cc2)CCOC1 ZINC000512246798 564396275 /nfs/dbraw/zinc/39/62/75/564396275.db2.gz VCDHFAHHZJIBGW-OAHLLOKOSA-N 1 0 376.316 2.772 20 0 GFADRO COC(=O)CC[N@H+](CC(=O)NCCc1cccc(Cl)c1Cl)C(C)C ZINC000512251437 564396324 /nfs/dbraw/zinc/39/63/24/564396324.db2.gz XQJQSRSSAJBXQX-UHFFFAOYSA-N 1 0 375.296 2.926 20 0 GFADRO OCC1([NH2+]C[C@H](O)COc2cc(Cl)ccc2Cl)Cc2ccccc2C1 ZINC000512304406 564397104 /nfs/dbraw/zinc/39/71/04/564397104.db2.gz JOBBLPZAGBOHAW-INIZCTEOSA-N 1 0 382.287 2.853 20 0 GFADRO CC[NH+]1CCN(CCNC(=O)c2cccc3cccc(Br)c32)CC1 ZINC000512308805 564397991 /nfs/dbraw/zinc/39/79/91/564397991.db2.gz IFVZVZIJYLOZEE-UHFFFAOYSA-N 1 0 390.325 2.970 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CNC(=O)NCc1cn2cc(Br)cc(C)c2n1 ZINC000544776197 564398044 /nfs/dbraw/zinc/39/80/44/564398044.db2.gz OVSMTZJIKMITRF-HNNXBMFYSA-N 1 0 394.317 2.689 20 0 GFADRO CC(C)C[C@@H](CNC(=O)CCCS(=O)(=O)c1ccc(Cl)cc1)[NH+](C)C ZINC000512308125 564398071 /nfs/dbraw/zinc/39/80/71/564398071.db2.gz DIELAXUWWYGAOF-INIZCTEOSA-N 1 0 388.961 2.986 20 0 GFADRO C[C@@H](Cc1ccc(Br)cc1)C(=O)N[C@@H](CO)C[NH+]1CCCCC1 ZINC000512394362 564399599 /nfs/dbraw/zinc/39/95/99/564399599.db2.gz CIMQQSYLLKHTEW-WMLDXEAASA-N 1 0 383.330 2.591 20 0 GFADRO C[NH+](C)CC1(CNC(=O)CNC(=O)c2ccc(Cl)c(Cl)c2)CCCC1 ZINC000544794235 564399602 /nfs/dbraw/zinc/39/96/02/564399602.db2.gz NPBDPYYPPXMPTO-UHFFFAOYSA-N 1 0 386.323 2.961 20 0 GFADRO CCCC[N@H+](C)C[C@H](C)NC(=O)C(=O)N1CCc2ccc(Br)cc21 ZINC000568009176 564400822 /nfs/dbraw/zinc/40/08/22/564400822.db2.gz YZRWLZVAQTVLFZ-ZDUSSCGKSA-N 1 0 396.329 2.575 20 0 GFADRO CC(C)(CNC(=O)N[C@@H](CO)c1cccc(Br)c1)C[NH+]1CCCC1 ZINC000478403363 564400912 /nfs/dbraw/zinc/40/09/12/564400912.db2.gz JVQDXBKSNPUVLV-INIZCTEOSA-N 1 0 398.345 2.904 20 0 GFADRO CN1CC[NH2+]C[C@H]1CNC(=O)N[C@@H](c1ccsc1)c1ccc(Cl)cc1 ZINC000568057945 564403306 /nfs/dbraw/zinc/40/33/06/564403306.db2.gz GLRPCKKTSBLXTB-DLBZAZTESA-N 1 0 378.929 2.694 20 0 GFADRO COc1c[nH+]ccc1N1CCN(C(=O)Cc2cccc(Br)c2)CC1 ZINC000478467249 564404068 /nfs/dbraw/zinc/40/40/68/564404068.db2.gz KCFSMXBGNDPBSX-UHFFFAOYSA-N 1 0 390.281 2.744 20 0 GFADRO CCC[N@H+](C)CC(=O)NCc1ccc(I)cc1Cl ZINC000478502380 564404976 /nfs/dbraw/zinc/40/49/76/564404976.db2.gz UCPMFPNBINSEDF-UHFFFAOYSA-N 1 0 380.657 2.903 20 0 GFADRO CC[C@@H](Cc1cccc(Br)c1)C(=O)NC[C@@H]1CCC[N@@H+]1CCCO ZINC000452358046 564407945 /nfs/dbraw/zinc/40/79/45/564407945.db2.gz FSCZWDJASKMTQU-WMZOPIPTSA-N 1 0 397.357 2.981 20 0 GFADRO O=C([C@H]1CCCS1(=O)=O)N(CCC[NH+]1CCCC1)c1ccc(Cl)cc1 ZINC000568179529 564407921 /nfs/dbraw/zinc/40/79/21/564407921.db2.gz SIQOEFSPCXUSKQ-QGZVFWFLSA-N 1 0 384.929 2.736 20 0 GFADRO Cc1cc(C(C)(C)C(=O)NC[C@@H]2CCC[N@@H+]2CCCO)ccc1Br ZINC000452358035 564408343 /nfs/dbraw/zinc/40/83/43/564408343.db2.gz FRGNNQOTEPVQNS-INIZCTEOSA-N 1 0 397.357 2.998 20 0 GFADRO C[C@H]1CC[N@H+](CC(=O)NCCCOc2ncc(C(F)(F)F)cc2Cl)C1 ZINC000568203663 564409434 /nfs/dbraw/zinc/40/94/34/564409434.db2.gz QEJGWNBKPZSBPJ-NSHDSACASA-N 1 0 379.810 2.981 20 0 GFADRO O=C(COc1cc(Cl)c(Cl)cc1Cl)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000452371931 564409731 /nfs/dbraw/zinc/40/97/31/564409731.db2.gz BENJXMYOFIFIAF-NSHDSACASA-N 1 0 395.714 2.989 20 0 GFADRO O=C(Nc1ccn(-c2ccc(Cl)cc2Cl)n1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000568225132 564410092 /nfs/dbraw/zinc/41/00/92/564410092.db2.gz VZPLXFPKPOVRJG-BETUJISGSA-N 1 0 380.279 3.537 20 0 GFADRO O=C(NC[C@H]1CCC[N@H+]1CCCO)c1c[nH]c2cccc(Br)c12 ZINC000452373845 564410296 /nfs/dbraw/zinc/41/02/96/564410296.db2.gz WJNXRHQURMZRAS-GFCCVEGCSA-N 1 0 380.286 2.507 20 0 GFADRO Cn1cc([C@@H]2CN(C(=O)[C@@H]3C[C@@H]3c3cccc(Cl)c3Cl)C[C@H]2[NH3+])cn1 ZINC000568253916 564410812 /nfs/dbraw/zinc/41/08/12/564410812.db2.gz NOGNWGMXZVLSIL-HGTKMLMNSA-N 1 0 379.291 2.784 20 0 GFADRO Fc1cc2ncnc(N3CC[NH+](C[C@H]4CCOC4)CC3)c2cc1Br ZINC000545165733 564410874 /nfs/dbraw/zinc/41/08/74/564410874.db2.gz QKVPLDKMNIIBRY-GFCCVEGCSA-N 1 0 395.276 2.690 20 0 GFADRO Cc1cc(C(C)(C)C(=O)NC[C@H]2CCCC[N@@H+]2CCO)ccc1Br ZINC000452382918 564411274 /nfs/dbraw/zinc/41/12/74/564411274.db2.gz ZAINMKHDURRZGS-MRXNPFEDSA-N 1 0 397.357 2.998 20 0 GFADRO CS(=O)(=O)N[C@H]1CCCC[C@H]1C[NH2+]Cc1cccc(OC(F)(F)F)c1 ZINC000512864721 564414440 /nfs/dbraw/zinc/41/44/40/564414440.db2.gz OSEGCGMOGWRSQT-ZFWWWQNUSA-N 1 0 380.432 2.783 20 0 GFADRO CS(=O)(=O)N[C@@H]1CCCC[C@@H]1C[NH2+]Cc1cccc(OC(F)(F)F)c1 ZINC000512864720 564414488 /nfs/dbraw/zinc/41/44/88/564414488.db2.gz OSEGCGMOGWRSQT-UKRRQHHQSA-N 1 0 380.432 2.783 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000478958354 564419591 /nfs/dbraw/zinc/41/95/91/564419591.db2.gz RXCMXKCUDWBKSE-BZNIZROVSA-N 1 0 394.313 2.549 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)C(=O)NCC[N@@H+](C)[C@@H](C)CC ZINC000479013000 564421481 /nfs/dbraw/zinc/42/14/81/564421481.db2.gz BLKLBLOHYONFSQ-LBPRGKRZSA-N 1 0 384.318 2.797 20 0 GFADRO CCN(C)C(=O)CC[NH2+][C@@](C)(CC(=O)OC)c1ccc(Br)cc1 ZINC000513134386 564421976 /nfs/dbraw/zinc/42/19/76/564421976.db2.gz XPTJHFPDKZALDQ-KRWDZBQOSA-N 1 0 385.302 2.685 20 0 GFADRO O=C(Nc1ncc(Cc2cccc(Cl)c2)s1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000479079279 564425156 /nfs/dbraw/zinc/42/51/56/564425156.db2.gz POEGKDXNAKVUJZ-MRXNPFEDSA-N 1 0 376.913 2.716 20 0 GFADRO C[C@@H](NC(=O)C(=O)NCCc1c(Cl)cccc1Cl)C(C)(C)C[NH+](C)C ZINC000479103951 564425920 /nfs/dbraw/zinc/42/59/20/564425920.db2.gz WYQKKZBBSLPXKJ-GFCCVEGCSA-N 1 0 388.339 2.745 20 0 GFADRO CCOCCOC[C@@H](O)C[NH2+][C@@H]1CCSc2ccc(Br)cc21 ZINC000513472922 564430168 /nfs/dbraw/zinc/43/01/68/564430168.db2.gz OIXOUTGSHCUWKY-DZGCQCFKSA-N 1 0 390.343 2.990 20 0 GFADRO C[C@H](Cc1ccc(O)cc1)[NH2+]CCCNS(=O)(=O)c1ccccc1Cl ZINC000513454897 564430508 /nfs/dbraw/zinc/43/05/08/564430508.db2.gz IQJRBQPBLIVQCR-CQSZACIVSA-N 1 0 382.913 2.935 20 0 GFADRO C[C@@H](Cc1ccc(O)cc1)[NH2+]CCNS(=O)(=O)c1ccc(Cl)cc1F ZINC000513496148 564431283 /nfs/dbraw/zinc/43/12/83/564431283.db2.gz AGLBIOASYVNDPG-LBPRGKRZSA-N 1 0 386.876 2.684 20 0 GFADRO CC(=O)Nc1ccc(S(=O)(=O)NCC[NH+]2[C@H](C)CCC[C@H]2C)cc1Cl ZINC000479220246 564431878 /nfs/dbraw/zinc/43/18/78/564431878.db2.gz FHELORYHUFZOIH-CHWSQXEVSA-N 1 0 387.933 2.840 20 0 GFADRO CN(Cc1nc(-c2cccc(Br)c2)c[nH]1)C1CC[NH+](CCO)CC1 ZINC000513536420 564431984 /nfs/dbraw/zinc/43/19/84/564431984.db2.gz JXKXJDPKWOYFMV-UHFFFAOYSA-N 1 0 393.329 2.728 20 0 GFADRO O=C(NC[C@H]1CCCC[N@H+]1CCO)c1[nH]c2ccccc2c1Br ZINC000452802549 564432284 /nfs/dbraw/zinc/43/22/84/564432284.db2.gz VHXDCXJZVDNMQA-GFCCVEGCSA-N 1 0 380.286 2.507 20 0 GFADRO O=C(CCOc1cccc(Cl)c1Cl)NC[C@H]1CCCC[N@H+]1CCO ZINC000452803687 564432509 /nfs/dbraw/zinc/43/25/09/564432509.db2.gz XVIBFBKOOFLBJE-CYBMUJFWSA-N 1 0 375.296 2.725 20 0 GFADRO C[NH+](C)CCN(C(=O)NCCCn1cc(Br)cn1)C1CCCC1 ZINC000513575341 564433042 /nfs/dbraw/zinc/43/30/42/564433042.db2.gz WAFFPMSOLIJSLA-UHFFFAOYSA-N 1 0 386.338 2.552 20 0 GFADRO O=C(NCCCn1cc(Br)cn1)N1CC[NH+](C2CCCCC2)CC1 ZINC000513597340 564433229 /nfs/dbraw/zinc/43/32/29/564433229.db2.gz IYQPTKPZGFUEHF-UHFFFAOYSA-N 1 0 398.349 2.696 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)C(=O)NCC[N@@H+]1CCCC[C@H]1C ZINC000479278846 564434671 /nfs/dbraw/zinc/43/46/71/564434671.db2.gz GNBKKNFSCPBFAW-CYBMUJFWSA-N 1 0 396.329 2.941 20 0 GFADRO CN(C)c1ncc(Br)cc1C(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000479284929 564434803 /nfs/dbraw/zinc/43/48/03/564434803.db2.gz PTNRZJBWNJVGNI-UHFFFAOYSA-N 1 0 381.318 2.516 20 0 GFADRO Cc1cc(C)c(S(N)(=O)=O)cc1[C@@H](C)[NH2+]C[C@@H](c1ccsc1)N(C)C ZINC000479346667 564436213 /nfs/dbraw/zinc/43/62/13/564436213.db2.gz GLSYRHBDIGZNFH-PBHICJAKSA-N 1 0 381.567 2.966 20 0 GFADRO COCC[N@H+](C[C@@H](O)COc1ccc(Cl)cc1Br)C1CC1 ZINC000513713196 564437022 /nfs/dbraw/zinc/43/70/22/564437022.db2.gz LYMKRFYUMJNKPF-CYBMUJFWSA-N 1 0 378.694 2.953 20 0 GFADRO O=C(CCC[N@@H+]1CCC[C@@H](N2CCNC2=O)C1)c1ccc(Br)cc1 ZINC000568832830 564437062 /nfs/dbraw/zinc/43/70/62/564437062.db2.gz ADTXVZARKDQRLG-MRXNPFEDSA-N 1 0 394.313 2.902 20 0 GFADRO CC(=O)N1CCN(CC[NH2+][C@H](c2ccc(Br)cc2F)C2CC2)CC1 ZINC000479365466 564437466 /nfs/dbraw/zinc/43/74/66/564437466.db2.gz VYZJTZBKUNDQLC-SFHVURJKSA-N 1 0 398.320 2.793 20 0 GFADRO O=C(N[C@@H](Cc1cccc(Br)c1)CC1CC1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000568847732 564437926 /nfs/dbraw/zinc/43/79/26/564437926.db2.gz DVNQEDFESUFBEX-NCOADZHNSA-N 1 0 378.314 2.677 20 0 GFADRO CC1(C)C[C@@H]([NH2+]CCNC(=O)c2ccn[nH]2)c2cc(Br)ccc21 ZINC000479432792 564439671 /nfs/dbraw/zinc/43/96/71/564439671.db2.gz TYMHZJZOVXJBAX-OAHLLOKOSA-N 1 0 377.286 2.914 20 0 GFADRO CC[N@@H+](Cc1cc(Br)ccc1F)C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000513881399 564441865 /nfs/dbraw/zinc/44/18/65/564441865.db2.gz ONYSICVAJQKKQB-GFCCVEGCSA-N 1 0 393.322 2.692 20 0 GFADRO CC(C)(CN[C@H](C(N)=O)c1ccc(Br)cc1F)C[NH+]1CCCC1 ZINC000479511969 564442702 /nfs/dbraw/zinc/44/27/02/564442702.db2.gz HNBFUXCDNRKTJE-HNNXBMFYSA-N 1 0 386.309 2.826 20 0 GFADRO CC(C)[NH2+]CCC(=O)Nc1cc(-c2ccc(Br)cc2)nn1CCO ZINC000568998655 564444742 /nfs/dbraw/zinc/44/47/42/564444742.db2.gz IUYNFGAOEBWSEJ-UHFFFAOYSA-N 1 0 395.301 2.632 20 0 GFADRO C[C@@H](CC(=O)c1cccc(Br)c1)C(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000453041697 564444896 /nfs/dbraw/zinc/44/48/96/564444896.db2.gz UYTKYPUHSLHZLV-DUVNUKRYSA-N 1 0 379.298 2.821 20 0 GFADRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N1CCc2cc(Br)ccc2C1 ZINC000479685083 564448146 /nfs/dbraw/zinc/44/81/46/564448146.db2.gz LBXHDQFUTWSTQX-YVEFUNNKSA-N 1 0 378.314 3.000 20 0 GFADRO CCOC(=O)[C@H](C)[C@H](C)[NH2+]CC(=O)N(C)Cc1ccccc1Br ZINC000514241001 564448108 /nfs/dbraw/zinc/44/81/08/564448108.db2.gz HPGRBPBOODOLRT-OLZOCXBDSA-N 1 0 385.302 2.585 20 0 GFADRO CCOC(=O)[C@H](C)[C@H](C)[NH2+][C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000514248790 564448784 /nfs/dbraw/zinc/44/87/84/564448784.db2.gz VTWYYGSWHDRCNE-XUJVJEKNSA-N 1 0 383.286 2.732 20 0 GFADRO COc1ccc(C[NH2+][C@H]2CCc3nc(C)ncc3C2)c(Br)c1O ZINC000546183859 564448863 /nfs/dbraw/zinc/44/88/63/564448863.db2.gz BQZRIYHDSOYYHT-ZDUSSCGKSA-N 1 0 378.270 2.909 20 0 GFADRO COC[C@@](C)(O)CC[NH2+][C@@H](c1ccc(Br)cc1)c1cncnc1 ZINC000453248818 564450358 /nfs/dbraw/zinc/45/03/58/564450358.db2.gz FTTSEMQTUSMLJS-IRXDYDNUSA-N 1 0 380.286 2.706 20 0 GFADRO COC[C@](C)(O)CC[NH2+][C@H](C)c1nnn(-c2cccc(Br)c2)c1C ZINC000453262245 564451189 /nfs/dbraw/zinc/45/11/89/564451189.db2.gz SNMWWEASNLJCDQ-SJKOYZFVSA-N 1 0 397.317 2.776 20 0 GFADRO Cc1csc(C[NH2+][C@H](C)c2ccc(S(=O)(=O)N3CCOCC3)cc2)c1 ZINC000453307297 564452924 /nfs/dbraw/zinc/45/29/24/564452924.db2.gz BWVUBELJSHVWDI-OAHLLOKOSA-N 1 0 380.535 2.928 20 0 GFADRO C[C@@H]1CN(C(=O)[C@@H](c2ccc(Br)cc2)N2CCCC2)CC[C@@H]1[NH3+] ZINC000569218593 564453874 /nfs/dbraw/zinc/45/38/74/564453874.db2.gz ABRYDKXUKSYHQD-XOKHGSTOSA-N 1 0 380.330 2.782 20 0 GFADRO COc1ccc(C[C@@H](CO)C[NH2+][C@H](C)c2cnccn2)cc1Br ZINC000453340292 564453939 /nfs/dbraw/zinc/45/39/39/564453939.db2.gz BNZQORYSJVKWEO-TZMCWYRMSA-N 1 0 380.286 2.750 20 0 GFADRO C[C@@H]1CC[S@@](=O)CCN1C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000514706809 564454122 /nfs/dbraw/zinc/45/41/22/564454122.db2.gz ONOWVEAMAIHPOP-WHEFHEQHSA-N 1 0 383.583 2.513 20 0 GFADRO O=C1c2ccccc2C(=O)N1C[C@@H](O)C[NH2+]Cc1cc(Cl)sc1Cl ZINC000569230497 564454450 /nfs/dbraw/zinc/45/44/50/564454450.db2.gz ZYCFNUKWUTYMIF-JTQLQIEISA-N 1 0 385.272 2.802 20 0 GFADRO C[C@@H]([NH3+])C1CCN(C(=O)CNC(=O)c2sc3ccccc3c2Cl)CC1 ZINC000569240687 564455604 /nfs/dbraw/zinc/45/56/04/564455604.db2.gz FAZYIPZLLBOFOE-LLVKDONJSA-N 1 0 379.913 2.870 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)c(C)c1C(=O)NC[C@H]([NH3+])C(C)C ZINC000514728023 564455706 /nfs/dbraw/zinc/45/57/06/564455706.db2.gz FAMGUNMDBHPXLR-HNNXBMFYSA-N 1 0 379.302 2.965 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)c(C)c1CN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000479941983 564455987 /nfs/dbraw/zinc/45/59/87/564455987.db2.gz OZYQXARKVLAZLC-GASCZTMLSA-N 1 0 375.314 2.903 20 0 GFADRO O=S(=O)(C[C@H](O)C[NH2+]CCc1ccc(F)cc1Cl)c1cccs1 ZINC000569281155 564456970 /nfs/dbraw/zinc/45/69/70/564456970.db2.gz NQAXVUQIRWNDMU-CYBMUJFWSA-N 1 0 377.890 2.508 20 0 GFADRO CCOCC[NH+]1CCN(c2ncnc3cc(F)c(Br)cc32)CC1 ZINC000546573636 564458902 /nfs/dbraw/zinc/45/89/02/564458902.db2.gz GDWYLPHSVVWMMC-UHFFFAOYSA-N 1 0 383.265 2.690 20 0 GFADRO C[C@]1(C[NH2+]Cc2cc(Br)cc(Br)c2N)CCC(=O)N1 ZINC000453592126 564459134 /nfs/dbraw/zinc/45/91/34/564459134.db2.gz SHJLLESKZWPVLH-CYBMUJFWSA-N 1 0 391.107 2.552 20 0 GFADRO C[C@]1(C[NH2+]Cc2ccc(Br)c(Br)c2)CCC(=O)N1 ZINC000453594113 564459205 /nfs/dbraw/zinc/45/92/05/564459205.db2.gz WOBYLOHXTPBHMJ-CYBMUJFWSA-N 1 0 376.092 2.970 20 0 GFADRO Cc1cc(COc2ccc(C(=O)N(C)CC[NH+](C)C)cc2Br)no1 ZINC000480082511 564459697 /nfs/dbraw/zinc/45/96/97/564459697.db2.gz FABOBJKGZVVKNE-UHFFFAOYSA-N 1 0 396.285 2.958 20 0 GFADRO O=C1[C@H]([NH2+]CC2=Cc3cc(Br)ccc3OC2)C[C@H]2CCCCN12 ZINC000453616516 564460268 /nfs/dbraw/zinc/46/02/68/564460268.db2.gz GFPCXUJOUHSBNX-HZPDHXFCSA-N 1 0 377.282 2.968 20 0 GFADRO COc1cc2c(NCCNS(=O)(=O)c3cccs3)cc[nH+]c2cc1F ZINC000480092000 564460469 /nfs/dbraw/zinc/46/04/69/564460469.db2.gz JPXDRVHFPQYEPD-UHFFFAOYSA-N 1 0 381.454 2.834 20 0 GFADRO C[C@@H](Cc1c[nH]cn1)C(=O)N1CCO[C@@H](c2cccc(Br)c2)C1 ZINC000514870537 564460687 /nfs/dbraw/zinc/46/06/87/564460687.db2.gz IXOGVNIBWZOYAK-BLLLJJGKSA-N 1 0 378.270 2.951 20 0 GFADRO CN(C)C(=O)C(C)(C)[NH2+]Cc1cc(Br)cc(Br)c1N ZINC000546619750 564462350 /nfs/dbraw/zinc/46/23/50/564462350.db2.gz WTNXIRPQBTXKMU-UHFFFAOYSA-N 1 0 393.123 2.750 20 0 GFADRO C[C@@H](CC[NH+](C)C)N[C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000480234133 564464931 /nfs/dbraw/zinc/46/49/31/564464931.db2.gz WRDVQESSMBYHSZ-SMDDNHRTSA-N 1 0 375.332 2.597 20 0 GFADRO C[C@@H](CC[NH+](C)C)N[C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000480234130 564465080 /nfs/dbraw/zinc/46/50/80/564465080.db2.gz WRDVQESSMBYHSZ-FZMZJTMJSA-N 1 0 375.332 2.597 20 0 GFADRO O=C(NC1CC[NH+](CCOc2ccc(Cl)cc2)CC1)c1csc(=O)[nH]1 ZINC000546723583 564465840 /nfs/dbraw/zinc/46/58/40/564465840.db2.gz XEGQHSBSHWLBNQ-UHFFFAOYSA-N 1 0 381.885 2.775 20 0 GFADRO CCCCN(C)CC[NH2+][C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000480263998 564466832 /nfs/dbraw/zinc/46/68/32/564466832.db2.gz VFVRCRQNWWIYLF-OAHLLOKOSA-N 1 0 389.359 2.989 20 0 GFADRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)[C@@H]1CCc2cc(Br)ccc21 ZINC000515062036 564467702 /nfs/dbraw/zinc/46/77/02/564467702.db2.gz NNDZHJIZVPALID-CXAGYDPISA-N 1 0 395.341 2.783 20 0 GFADRO CC[N@H+](CCC1CC1)CC(=O)NCC(=O)Nc1ccccc1Br ZINC000546934523 564474401 /nfs/dbraw/zinc/47/44/01/564474401.db2.gz ZPIVVYHANXSSRA-UHFFFAOYSA-N 1 0 382.302 2.626 20 0 GFADRO Cc1cc(C[NH2+][C@@H]2CCCN(c3ccnn3C)C2=O)sc1Br ZINC000480486593 564474820 /nfs/dbraw/zinc/47/48/20/564474820.db2.gz JRBJDFXNSGQMTF-GFCCVEGCSA-N 1 0 383.315 2.838 20 0 GFADRO CCSc1nnc(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)s1 ZINC000569736163 564475576 /nfs/dbraw/zinc/47/55/76/564475576.db2.gz QQSGROXIFIPLCU-GXTWGEPZSA-N 1 0 377.539 3.435 20 0 GFADRO Cn1ncc(NC[C@H](C2CC2)[N@H+](C)Cc2ccccc2)c(Br)c1=O ZINC000480532826 564476570 /nfs/dbraw/zinc/47/65/70/564476570.db2.gz XZACPVRFFWCIAY-MRXNPFEDSA-N 1 0 391.313 2.865 20 0 GFADRO O=C(c1c(Cl)cccc1Cl)N1CCN(C(=O)[C@H]2CCCCC[NH2+]2)CC1 ZINC000515384143 564477455 /nfs/dbraw/zinc/47/74/55/564477455.db2.gz MJCHHHNTOHTHGJ-OAHLLOKOSA-N 1 0 384.307 2.810 20 0 GFADRO O=C(Nc1ccc(CCn2cc(Br)cn2)cc1)N[C@H]1CCC[NH2+]C1 ZINC000515405030 564478606 /nfs/dbraw/zinc/47/86/06/564478606.db2.gz JRQNLAIMGPQJNI-INIZCTEOSA-N 1 0 392.301 2.762 20 0 GFADRO Brc1cccc(Cc2noc(CN3CCC[C@]4(CC[NH2+]C4)C3)n2)c1 ZINC000569795176 564478802 /nfs/dbraw/zinc/47/88/02/564478802.db2.gz HTZMEHGPYFVRGU-GOSISDBHSA-N 1 0 391.313 2.998 20 0 GFADRO C[C@@H]([NH2+]C[C@H](C)C(F)(F)F)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000480662882 564481551 /nfs/dbraw/zinc/48/15/51/564481551.db2.gz KTMNHYNSIJJQRC-QWHCGFSZSA-N 1 0 380.432 2.557 20 0 GFADRO C[C@@H]([NH2+]C[C@@H](C)C(F)(F)F)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000480662880 564481642 /nfs/dbraw/zinc/48/16/42/564481642.db2.gz KTMNHYNSIJJQRC-CHWSQXEVSA-N 1 0 380.432 2.557 20 0 GFADRO CCCC[N@H+](C)CCNC(=O)C(=O)Nc1ccc(Cl)cc1OC(F)F ZINC000547284187 564482746 /nfs/dbraw/zinc/48/27/46/564482746.db2.gz MEHVXDCQKOYMBA-UHFFFAOYSA-N 1 0 377.819 2.728 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000570041022 564488226 /nfs/dbraw/zinc/48/82/26/564488226.db2.gz FUHSGJFSUQHTEF-CYBMUJFWSA-N 1 0 377.286 2.673 20 0 GFADRO CS[C@H]1CN(C(=O)CCC(=O)c2ccc(Cl)cn2)C[C@H]1[NH+]1CCCC1 ZINC000547536933 564492698 /nfs/dbraw/zinc/49/26/98/564492698.db2.gz YEGXOYAMCJWDQN-WBVHZDCISA-N 1 0 381.929 2.736 20 0 GFADRO C[C@@H](NS(=O)(=O)c1ccc(Br)cn1)[C@H](c1ccccc1)[NH+](C)C ZINC000480893215 564493814 /nfs/dbraw/zinc/49/38/14/564493814.db2.gz CCKMOVOZJXHZBX-MLGOLLRUSA-N 1 0 398.326 2.814 20 0 GFADRO CC1(C)[C@H]([NH2+]C[C@H](O)COc2cc(F)cc(Br)c2)[C@H]2CCO[C@@H]21 ZINC000516148287 564495222 /nfs/dbraw/zinc/49/52/22/564495222.db2.gz DJECJGONHZPPPY-XZDPQHSOSA-N 1 0 388.277 2.731 20 0 GFADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)[C@@H]1CCc2cc(Br)ccc21 ZINC000570282115 564499284 /nfs/dbraw/zinc/49/92/84/564499284.db2.gz SAJNDYCEXVLPTQ-RDTXWAMCSA-N 1 0 394.357 2.621 20 0 GFADRO CC(C)([NH3+])c1nocc1C(=O)N1CCc2c(Br)ccc(F)c2C1 ZINC000516313416 564499606 /nfs/dbraw/zinc/49/96/06/564499606.db2.gz QKCGAFJAKYPUNZ-UHFFFAOYSA-N 1 0 382.233 2.969 20 0 GFADRO C[NH+](C)[C@]1(CNC(=O)NCc2cc(Br)ccc2F)CCSC1 ZINC000481057886 564501253 /nfs/dbraw/zinc/50/12/53/564501253.db2.gz KHBOCGKZMRIJSM-HNNXBMFYSA-N 1 0 390.322 2.825 20 0 GFADRO C[C@H]([NH2+]CCN1CCc2sccc2C1)c1cccc(NS(C)(=O)=O)c1 ZINC000481038595 564501511 /nfs/dbraw/zinc/50/15/11/564501511.db2.gz QGLVPPQJEUPJQA-AWEZNQCLSA-N 1 0 379.551 2.829 20 0 GFADRO C[C@H](Cc1ccc(Br)cc1)C(=O)NCCC[N@H+](C)CCN(C)C ZINC000516511060 564503621 /nfs/dbraw/zinc/50/36/21/564503621.db2.gz JNKDHQNFBIHCCR-OAHLLOKOSA-N 1 0 384.362 2.627 20 0 GFADRO CN(C)S(=O)(=O)c1ccc(C[N@@H+]2CCCC[C@@H]2[C@H]2CCCC[C@@H]2O)s1 ZINC000570391913 564503896 /nfs/dbraw/zinc/50/38/96/564503896.db2.gz OOBSBPYMKKQKBT-ZACQAIPSSA-N 1 0 386.583 2.904 20 0 GFADRO CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N[C@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000481110098 564504062 /nfs/dbraw/zinc/50/40/62/564504062.db2.gz RCXBXROTGGOBTE-UONOGXRCSA-N 1 0 385.961 2.987 20 0 GFADRO Cc1ccc(C[NH2+]C[C@@H](O)COc2ccc(Cl)cc2)cc1S(C)(=O)=O ZINC000516563858 564505213 /nfs/dbraw/zinc/50/52/13/564505213.db2.gz XDEPTJGSWJOMRT-MRXNPFEDSA-N 1 0 383.897 2.581 20 0 GFADRO CCN(C[C@@H](O)C(F)(F)F)C(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000547673526 564506608 /nfs/dbraw/zinc/50/66/08/564506608.db2.gz JFMPQCWGHSDOCA-ZIAGYGMSSA-N 1 0 381.826 2.897 20 0 GFADRO Cc1c([C@H]2OCC[C@@H]2[NH2+]CC(=O)N(C)Cc2ccc(Cl)s2)cnn1C ZINC000547683067 564507009 /nfs/dbraw/zinc/50/70/09/564507009.db2.gz UUVVAEODVMCOBR-WMLDXEAASA-N 1 0 382.917 2.522 20 0 GFADRO CCOc1ccc(S(=O)(=O)NC[C@H](C)[NH+]2CCCC2)cc1Br ZINC000547714948 564508029 /nfs/dbraw/zinc/50/80/29/564508029.db2.gz ICEKJADOTUMDSQ-LBPRGKRZSA-N 1 0 391.331 2.610 20 0 GFADRO C[NH+](C)[C@]1(CNS(=O)(=O)Cc2c(Cl)cccc2Cl)CCSC1 ZINC000481345175 564509820 /nfs/dbraw/zinc/50/98/20/564509820.db2.gz MUMNJVMCXQSKIT-AWEZNQCLSA-N 1 0 383.366 2.850 20 0 GFADRO O[C@H](C[NH2+][C@H]1CCc2c1ccc(F)c2Br)COC1CCOCC1 ZINC000516762699 564511728 /nfs/dbraw/zinc/51/17/28/564511728.db2.gz KMZUNEKVIFQKCQ-BZNIZROVSA-N 1 0 388.277 2.722 20 0 GFADRO Cc1cnc(CC[NH2+][C@@H]2CCS(=O)(=O)c3ccc(Br)cc32)nc1 ZINC000547826480 564512694 /nfs/dbraw/zinc/51/26/94/564512694.db2.gz JLXSWGYUNCSTQP-CQSZACIVSA-N 1 0 396.310 2.598 20 0 GFADRO Cn1ccnc1Sc1ncc(C(=O)N2CCC3(CC[NH2+]3)CC2)cc1Cl ZINC000570569622 564512789 /nfs/dbraw/zinc/51/27/89/564512789.db2.gz BJGSPRKQVTZYIT-UHFFFAOYSA-N 1 0 377.901 2.588 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(C(=O)NCCCc3ccc(Br)cc3F)C[C@@H]21 ZINC000454507868 564512877 /nfs/dbraw/zinc/51/28/77/564512877.db2.gz BUPPTKXPJONWCP-CJNGLKHVSA-N 1 0 384.293 2.866 20 0 GFADRO C[C@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2C)CC[N@@H+](C2CCC2)C1 ZINC000516849186 564513646 /nfs/dbraw/zinc/51/36/46/564513646.db2.gz BHRNTJKIJZKJAF-GFCCVEGCSA-N 1 0 393.333 2.883 20 0 GFADRO CC1(C[NH2+]C[C@@H](O)COc2cc(F)cc(Br)c2)CCOCC1 ZINC000570626069 564514195 /nfs/dbraw/zinc/51/41/95/564514195.db2.gz YLNSZPMQNIFQJA-CQSZACIVSA-N 1 0 376.266 2.734 20 0 GFADRO Cc1nc(NC(=O)N2CC[NH+](C3CCOCC3)CC2)sc1C(F)(F)F ZINC000570615555 564514638 /nfs/dbraw/zinc/51/46/38/564514638.db2.gz BBLDRCYCQZDUCO-UHFFFAOYSA-N 1 0 378.420 2.799 20 0 GFADRO O=C(NCc1nc2c(cccc2Br)[nH]1)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000516911628 564515900 /nfs/dbraw/zinc/51/59/00/564515900.db2.gz UJZGTZNDDOUAHL-GXTWGEPZSA-N 1 0 392.301 2.751 20 0 GFADRO C[C@@H]([NH3+])[C@H](C)NC(=O)c1nn(-c2cccc(Br)c2)c2c1CCCC2 ZINC000570682275 564517377 /nfs/dbraw/zinc/51/73/77/564517377.db2.gz YDLBAMAPFJOLIX-NEPJUHHUSA-N 1 0 391.313 2.979 20 0 GFADRO C[N@@H+]1CCC[C@H]2CN(S(=O)(=O)c3cccc4c(Cl)ccnc43)CC[C@@H]21 ZINC000517072420 564523554 /nfs/dbraw/zinc/52/35/54/564523554.db2.gz FFNPICZMFILSMA-BBRMVZONSA-N 1 0 379.913 2.993 20 0 GFADRO CN(C)CC[N@H+](C)CCCNC(=O)Nc1ccc(Br)c(F)c1 ZINC000454873513 564525421 /nfs/dbraw/zinc/52/54/21/564525421.db2.gz JTESAXUDJCXLDH-UHFFFAOYSA-N 1 0 375.286 2.593 20 0 GFADRO CN(C(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1)C1CC([NH3+])C1 ZINC000517142219 564525621 /nfs/dbraw/zinc/52/56/21/564525621.db2.gz LYMBYZDRZBLWAN-IYXRBSQSSA-N 1 0 384.307 2.794 20 0 GFADRO CO[C@@H]1CCN(C(=O)Nc2cc(-c3ccc(Cl)s3)nn2C)[C@@H](C[NH3+])C1 ZINC000570909013 564527401 /nfs/dbraw/zinc/52/74/01/564527401.db2.gz AOMPTKPEOTWBAT-GHMZBOCLSA-N 1 0 383.905 2.772 20 0 GFADRO C[C@@H](CNC(=O)[C@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1)C[NH+](C)C ZINC000517252157 564528848 /nfs/dbraw/zinc/52/88/48/564528848.db2.gz LNXDKRDBSHPFMI-BLLLJJGKSA-N 1 0 386.323 2.912 20 0 GFADRO O=C([C@H]1CCC[N@@H+](Cc2cn3ccc(Br)cc3n2)C1)N1CCCC1 ZINC000517446518 564534628 /nfs/dbraw/zinc/53/46/28/564534628.db2.gz IWYZRIWXDLTWHE-AWEZNQCLSA-N 1 0 391.313 2.931 20 0 GFADRO CCOc1ccc(S(=O)(=O)N2CCCC[C@H]2CC[NH3+])cc1Br ZINC000571087640 564535514 /nfs/dbraw/zinc/53/55/14/564535514.db2.gz CWNHSZYGTRZLIM-LBPRGKRZSA-N 1 0 391.331 2.740 20 0 GFADRO O[C@H](C[NH2+][C@@H]1CCO[C@@H]1C1CC1)COc1ccc(Cl)cc1Br ZINC000571115198 564536266 /nfs/dbraw/zinc/53/62/66/564536266.db2.gz XVRIJUTXXOFDMT-XNRPHZJLSA-N 1 0 390.705 2.999 20 0 GFADRO CC[C@H]1CCC[N@@H+](C(C)(C)CNS(=O)(=O)c2ccc(C(=O)OC)s2)C1 ZINC000517709914 564540013 /nfs/dbraw/zinc/54/00/13/564540013.db2.gz XFHBVOBJKMPBCD-ZDUSSCGKSA-N 1 0 388.555 2.714 20 0 GFADRO C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1 ZINC000482559697 564545438 /nfs/dbraw/zinc/54/54/38/564545438.db2.gz WPYVXAIYSFKAML-UONOGXRCSA-N 1 0 386.323 2.657 20 0 GFADRO OCC1([NH2+]CC2CC2)CCN(CCOc2ccc(Br)cc2)CC1 ZINC000571329888 564546847 /nfs/dbraw/zinc/54/68/47/564546847.db2.gz CEPNMKQYYJHQJZ-UHFFFAOYSA-N 1 0 383.330 2.654 20 0 GFADRO COc1ccc(S(=O)(=O)N2C[C@H](SC)[C@@H]([NH+]3CCCC3)C2)c(Cl)c1 ZINC000571358406 564547293 /nfs/dbraw/zinc/54/72/93/564547293.db2.gz ASRVLVNUEQERJP-GJZGRUSLSA-N 1 0 390.958 2.549 20 0 GFADRO Cc1c(Br)ccc(NC(=O)N[C@H]2CCC[N@H+](CCCO)C2)c1F ZINC000455294379 564547530 /nfs/dbraw/zinc/54/75/30/564547530.db2.gz CQOZJWCJLUVNPY-LBPRGKRZSA-N 1 0 388.281 2.865 20 0 GFADRO CN(C)C(=O)CCC[N@H+](CCc1ccc(Cl)cc1)C[C@H](O)C(F)(F)F ZINC000571535504 564554911 /nfs/dbraw/zinc/55/49/11/564554911.db2.gz PHHFWCRBRPQDBH-HNNXBMFYSA-N 1 0 380.838 2.976 20 0 GFADRO CCC[NH+]1CCN(C(=O)Nc2ccn(-c3ccc(Br)cc3)n2)CC1 ZINC000455629786 564561516 /nfs/dbraw/zinc/56/15/16/564561516.db2.gz RHZHZHIDUYXYHU-UHFFFAOYSA-N 1 0 392.301 3.194 20 0 GFADRO NS(=O)(=O)c1cc(Cl)cc(C[NH2+]C2(c3ccccc3)CCOCC2)c1 ZINC000571686413 564561988 /nfs/dbraw/zinc/56/19/88/564561988.db2.gz ARKOSGODUHUPCU-UHFFFAOYSA-N 1 0 380.897 2.783 20 0 GFADRO C[C@]1(c2ccc(C[NH2+]Cc3csc(Br)c3)cc2)NC(=O)NC1=O ZINC000518782079 564562913 /nfs/dbraw/zinc/56/29/13/564562913.db2.gz KJBJUQYRLZLVHV-MRXNPFEDSA-N 1 0 394.294 2.855 20 0 GFADRO CC[NH+](CC)CCN(C(=O)[C@@H]1CCCOC1)c1ccc(Br)cn1 ZINC000518888702 564564648 /nfs/dbraw/zinc/56/46/48/564564648.db2.gz VZISCHBVGHYMQJ-CQSZACIVSA-N 1 0 384.318 2.946 20 0 GFADRO CC[NH+](CC)CC(=O)N1CCN([C@@H](C)c2cccc(Br)c2)CC1 ZINC000483376142 564565397 /nfs/dbraw/zinc/56/53/97/564565397.db2.gz AZSSWQHARDMWFO-HNNXBMFYSA-N 1 0 382.346 2.996 20 0 GFADRO O=c1cc(C[N@H+](CCO)CC2CCCCC2)nc2ccc(Br)cn12 ZINC000548604017 564566535 /nfs/dbraw/zinc/56/65/35/564566535.db2.gz ZDVNLBAQKWVGKY-UHFFFAOYSA-N 1 0 394.313 2.832 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(I)cn2)C[C@@H]1C ZINC000455728754 564566549 /nfs/dbraw/zinc/56/65/49/564566549.db2.gz BFTBIWRFOIADFQ-WCQYABFASA-N 1 0 387.265 2.631 20 0 GFADRO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000483423649 564567012 /nfs/dbraw/zinc/56/70/12/564567012.db2.gz YIBRQQPCODGVIL-KGLIPLIRSA-N 1 0 386.323 2.941 20 0 GFADRO O=C([C@@H]1CCN(c2cc(Cl)ccc2Cl)C1=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000571803129 564567296 /nfs/dbraw/zinc/56/72/96/564567296.db2.gz SNOFBMVVFDFXBU-ZIAGYGMSSA-N 1 0 382.291 2.699 20 0 GFADRO CC(C)[N@H+](C)CCCNC(=O)C(=O)Nc1cccc(Cl)c1Br ZINC000483465681 564568326 /nfs/dbraw/zinc/56/83/26/564568326.db2.gz HNAVZWQOHFRTMY-UHFFFAOYSA-N 1 0 390.709 2.888 20 0 GFADRO CN1CCN(c2cc[nH+]cc2NC(=O)c2cccc(F)c2Br)CC1 ZINC000571839023 564568936 /nfs/dbraw/zinc/56/89/36/564568936.db2.gz JLZUZXTVIWIONU-UHFFFAOYSA-N 1 0 393.260 2.987 20 0 GFADRO C[C@@H]1CN(C(=O)[C@H]2CCc3cc(Br)ccc32)CC[N@@H+]1CC(C)(C)O ZINC000571883150 564570935 /nfs/dbraw/zinc/57/09/35/564570935.db2.gz FLYZGUDLEUXZBM-DYVFJYSZSA-N 1 0 395.341 2.783 20 0 GFADRO CC[C@@H]1CN(C(=O)Nc2cc(Br)cnc2C)CC[N@@H+]1CCOC ZINC000455793760 564571399 /nfs/dbraw/zinc/57/13/99/564571399.db2.gz DZFHOZFGJYJJDQ-CQSZACIVSA-N 1 0 385.306 2.727 20 0 GFADRO COCC[N@@H+]1CC[C@@H](N[C@@H](C)c2nc(-c3ccc(Br)cc3)no2)C1 ZINC000483654622 564571983 /nfs/dbraw/zinc/57/19/83/564571983.db2.gz OGKICUDLSHTOQJ-SWLSCSKDSA-N 1 0 395.301 2.870 20 0 GFADRO COCCOCCN(C)[C@@H]1CCCN(c2ccc(Br)c(C)c2)C1=O ZINC000519222642 564572508 /nfs/dbraw/zinc/57/25/08/564572508.db2.gz XUTRPMLVVZXNKY-QGZVFWFLSA-N 1 0 399.329 2.848 20 0 GFADRO C[C@@H]([NH3+])[C@@H](C)NS(=O)(=O)c1csc(-c2ccc(Br)cc2)n1 ZINC000571921019 564572617 /nfs/dbraw/zinc/57/26/17/564572617.db2.gz VPRPRIWKPLUGEB-RKDXNWHRSA-N 1 0 390.328 2.587 20 0 GFADRO C[NH+](C)[C@@]1(CNC(=O)[C@@]2(Cc3cccc(Cl)c3)CCOC2)CCSC1 ZINC000455862177 564575670 /nfs/dbraw/zinc/57/56/70/564575670.db2.gz KXNBEEMQZRXTRL-RTBURBONSA-N 1 0 382.957 2.843 20 0 GFADRO CC[NH+](CC)[C@H]1CCN(C(=O)Nc2cc(N(C)C)c(Br)cn2)C1 ZINC000455858719 564575747 /nfs/dbraw/zinc/57/57/47/564575747.db2.gz CFEMAFULPPVCIA-LBPRGKRZSA-N 1 0 384.322 2.858 20 0 GFADRO CCCC[N@H+](C)CCNC(=O)C(=O)Nc1cc(Cl)c(Cl)cc1OC ZINC000483891462 564577384 /nfs/dbraw/zinc/57/73/84/564577384.db2.gz CHKHVVJAZWOMEZ-UHFFFAOYSA-N 1 0 376.284 2.789 20 0 GFADRO Cc1nc(C)c(CCNC(=O)NCC2([NH+]3CCSCC3)CCCC2)s1 ZINC000519436472 564577788 /nfs/dbraw/zinc/57/77/88/564577788.db2.gz QPFVLHUDNWVKQR-UHFFFAOYSA-N 1 0 382.599 2.963 20 0 GFADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)CCOc1ccc(Cl)c(Cl)c1 ZINC000519434177 564577983 /nfs/dbraw/zinc/57/79/83/564577983.db2.gz RDCIXMPFSCEUKO-ZDUSSCGKSA-N 1 0 375.296 2.989 20 0 GFADRO CC[NH+](CC)CCS(=O)(=O)NCC1(c2ccccc2Br)CC1 ZINC000519483148 564578967 /nfs/dbraw/zinc/57/89/67/564578967.db2.gz PQAPWZDLIJYHTG-UHFFFAOYSA-N 1 0 389.359 2.742 20 0 GFADRO CC[C@@H]([NH3+])CNS(=O)(=O)c1ccc(Br)c(Cl)c1Cl ZINC000572038510 564579102 /nfs/dbraw/zinc/57/91/02/564579102.db2.gz KGLYDTSYMNPNQT-ZCFIWIBFSA-N 1 0 376.103 2.772 20 0 GFADRO COC(=O)[C@@H](c1ccc(Cl)c(Cl)c1)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000483990135 564579769 /nfs/dbraw/zinc/57/97/69/564579769.db2.gz WNRZQQFLKLXBTA-MLGOLLRUSA-N 1 0 389.323 2.985 20 0 GFADRO Cc1c(Br)cccc1CNC(=O)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000519561806 564581022 /nfs/dbraw/zinc/58/10/22/564581022.db2.gz TWVDGGRDWLKSPU-HNNXBMFYSA-N 1 0 377.286 2.809 20 0 GFADRO O=C(NCC1CC[NH+](Cc2cccs2)CC1)C1CN(CC(F)(F)F)C1 ZINC000484263277 564585010 /nfs/dbraw/zinc/58/50/10/564585010.db2.gz VBEMEAKIVRABHW-UHFFFAOYSA-N 1 0 375.460 2.570 20 0 GFADRO CCCN(CC[NH+]1CCCC1)C(=O)c1ccc(I)cn1 ZINC000456042700 564585192 /nfs/dbraw/zinc/58/51/92/564585192.db2.gz DHKUFDUAAQYDHJ-UHFFFAOYSA-N 1 0 387.265 2.634 20 0 GFADRO OC[C@H](C[NH2+]C[C@H](O)COc1cccc(Br)c1)c1ccccc1 ZINC000572243156 564586053 /nfs/dbraw/zinc/58/60/53/564586053.db2.gz OHKBWQACKLKSBA-RDJZCZTQSA-N 1 0 380.282 2.555 20 0 GFADRO CC[C@@H]1C[N@H+](C)CCN1C(=O)Nc1ccc(F)cc1I ZINC000519686131 564587099 /nfs/dbraw/zinc/58/70/99/564587099.db2.gz ZVAMLSPMEOQSKK-LLVKDONJSA-N 1 0 391.228 2.988 20 0 GFADRO O=S1(=O)CCO[C@@H](C[NH2+][C@H]2CCCCc3cc(Br)ccc32)C1 ZINC000549236651 564588670 /nfs/dbraw/zinc/58/86/70/564588670.db2.gz CTCSDWMCYWVJKY-HOCLYGCPSA-N 1 0 388.327 2.620 20 0 GFADRO Cc1cc(Br)c(C[N@@H+]2CCC[C@@H]2C[C@@]2(C)NC(=O)NC2=O)s1 ZINC000572475062 564595796 /nfs/dbraw/zinc/59/57/96/564595796.db2.gz DFAYQOPMCYNBMB-MEBBXXQBSA-N 1 0 386.315 2.772 20 0 GFADRO Cc1cc(S(N)(=O)=O)sc1C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000456255467 564597136 /nfs/dbraw/zinc/59/71/36/564597136.db2.gz CBJMILBIVQXCND-CQSZACIVSA-N 1 0 379.507 2.505 20 0 GFADRO CCCC[C@H](C[NH3+])NC(=O)c1ncc(Br)cc1Br ZINC000572481020 564597160 /nfs/dbraw/zinc/59/71/60/564597160.db2.gz LHIJNXDVOFHLPJ-SECBINFHSA-N 1 0 379.096 2.854 20 0 GFADRO CN(CCCN1CC[NH+](C)CC1)C(=O)CCOc1ccc(Cl)c(Cl)c1 ZINC000520358396 564602812 /nfs/dbraw/zinc/60/28/12/564602812.db2.gz CKPYLSRWZZKIGM-UHFFFAOYSA-N 1 0 388.339 2.858 20 0 GFADRO CC(C)NC(=O)NCC[NH2+]C1(c2ccc(Br)cc2)CCOCC1 ZINC000572635923 564603249 /nfs/dbraw/zinc/60/32/49/564603249.db2.gz MKGOHLZLRKGGHP-UHFFFAOYSA-N 1 0 384.318 2.752 20 0 GFADRO Cc1ccc(-c2nc(NC(=O)C(=O)N3CCC[N@@H+](C)CC3)sc2C)s1 ZINC000520591985 564607919 /nfs/dbraw/zinc/60/79/19/564607919.db2.gz ZQZHTXJOGFMBAL-UHFFFAOYSA-N 1 0 378.523 2.591 20 0 GFADRO CNC(=O)c1ccc(NC(=O)C2CC[NH+]([C@H]3CCSC3)CC2)cc1Cl ZINC000572733970 564608328 /nfs/dbraw/zinc/60/83/28/564608328.db2.gz RIOOQVPUMIZPBY-AWEZNQCLSA-N 1 0 381.929 2.856 20 0 GFADRO CN(C[C@H]1CCC[N@H+](C)C1)S(=O)(=O)c1c(F)cccc1OC(F)(F)F ZINC000572789944 564610230 /nfs/dbraw/zinc/61/02/30/564610230.db2.gz FFFPNEJZXAJRDH-NSHDSACASA-N 1 0 384.395 2.687 20 0 GFADRO C[C@H](O)[C@H]1CCCC[N@@H+]1CC(=O)N(C)CCOc1ccc(Br)cc1 ZINC000520747176 564611832 /nfs/dbraw/zinc/61/18/32/564611832.db2.gz OOHBKULRYAZRJY-WMLDXEAASA-N 1 0 399.329 2.522 20 0 GFADRO O=C(NCCCCn1cc(Br)cn1)Nc1cccc2c1CC[NH2+]C2 ZINC000572823241 564612083 /nfs/dbraw/zinc/61/20/83/564612083.db2.gz YOCBPELULVUXEC-UHFFFAOYSA-N 1 0 392.301 2.893 20 0 GFADRO CC[C@H]1[NH2+]CC[C@H]1C(=O)N1CCN(C(=O)c2c(Cl)cccc2Cl)CC1 ZINC000572837766 564612892 /nfs/dbraw/zinc/61/28/92/564612892.db2.gz BYDFHUNPUMFHHP-IUODEOHRSA-N 1 0 384.307 2.666 20 0 GFADRO COc1ccc([C@@H](NCc2nn(C)cc2Br)[C@@H]2CCC[NH2+]2)cc1 ZINC000520792934 564612803 /nfs/dbraw/zinc/61/28/03/564612803.db2.gz ZONGRBOWOQOCKC-DOTOQJQBSA-N 1 0 379.302 2.774 20 0 GFADRO CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCc1cc(Cl)cc(I)c1 ZINC000572840210 564612979 /nfs/dbraw/zinc/61/29/79/564612979.db2.gz WSJCYCBHCNIYHR-OLZOCXBDSA-N 1 0 392.668 2.949 20 0 GFADRO COC(=O)c1cc(NC(=O)NC[C@]2([NH+](C)C)CCSC2)cc(Cl)c1F ZINC000485401280 564614949 /nfs/dbraw/zinc/61/49/49/564614949.db2.gz DKMUARSDWBVEGD-MRXNPFEDSA-N 1 0 389.880 2.825 20 0 GFADRO CO[C@@H]1CCN(C(=O)CCCc2ccc(Br)s2)[C@H](C[NH3+])C1 ZINC000572952344 564617102 /nfs/dbraw/zinc/61/71/02/564617102.db2.gz HNUZQLMHHMNBBK-NWDGAFQWSA-N 1 0 375.332 2.798 20 0 GFADRO CCCCNC(=O)NC(=O)CN(CCCO)Cc1ccc(Cl)c(Cl)c1 ZINC000521008173 564617070 /nfs/dbraw/zinc/61/70/70/564617070.db2.gz AHXXDQNMJGAOOG-UHFFFAOYSA-N 1 0 390.311 2.804 20 0 GFADRO CC(=O)NCC[N@@H+](C)CCOc1c(Br)cccc1Br ZINC000572958002 564617483 /nfs/dbraw/zinc/61/74/83/564617483.db2.gz AUXNSQOFGPTIKO-UHFFFAOYSA-N 1 0 394.107 2.658 20 0 GFADRO CC(C)(COc1cc(Cl)cc(Cl)c1)C(=O)NCC[NH+]1CCC(O)CC1 ZINC000456583196 564618882 /nfs/dbraw/zinc/61/88/82/564618882.db2.gz NMCJZCJKRVKRET-UHFFFAOYSA-N 1 0 389.323 2.971 20 0 GFADRO C[C@H](C[NH+]1CCOCC1)C(=O)Nc1cccc2c(Br)ccnc12 ZINC000456594014 564619549 /nfs/dbraw/zinc/61/95/49/564619549.db2.gz SPYZKGSFILCILO-GFCCVEGCSA-N 1 0 378.270 2.904 20 0 GFADRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)NCc1ccc(Cl)cc1Cl ZINC000550304258 564619875 /nfs/dbraw/zinc/61/98/75/564619875.db2.gz YBEZNDDQGCFOTJ-HNNXBMFYSA-N 1 0 386.323 2.990 20 0 GFADRO CC[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)NCC[N@H+](C)C1CC1 ZINC000485603248 564621267 /nfs/dbraw/zinc/62/12/67/564621267.db2.gz SZBBICMFOILIPK-AWEZNQCLSA-N 1 0 386.323 2.641 20 0 GFADRO CC(C)C[C@@H](C[NH3+])NC(=O)[C@@H]1CCCN1C(=O)c1ccc(Br)cc1 ZINC000573083366 564622431 /nfs/dbraw/zinc/62/24/31/564622431.db2.gz JUXTUEDBPRQACX-HOTGVXAUSA-N 1 0 396.329 2.543 20 0 GFADRO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000573112515 564623217 /nfs/dbraw/zinc/62/32/17/564623217.db2.gz CGYYOPLMNLQZFX-JKSUJKDBSA-N 1 0 384.307 2.695 20 0 GFADRO C[C@H](NC(=O)N1CCCC[C@H]1[C@H]1CCC[NH2+]C1)c1ncc(Br)cn1 ZINC000521362537 564625599 /nfs/dbraw/zinc/62/55/99/564625599.db2.gz HNTZOADRZPPKEY-YDHLFZDLSA-N 1 0 396.333 2.864 20 0 GFADRO CCC[C@@H](C(=O)NC[C@@H](CO)Cc1cccc(Br)c1C)[NH+](C)C ZINC000456709908 564626116 /nfs/dbraw/zinc/62/61/16/564626116.db2.gz FVNZFKSMECTTEB-YOEHRIQHSA-N 1 0 385.346 2.755 20 0 GFADRO CC[C@H]([NH2+]CCC(=O)N(C)CC(=O)OC)c1cc(F)cc(Br)c1 ZINC000485829419 564627358 /nfs/dbraw/zinc/62/73/58/564627358.db2.gz KLVZRWUZWOHJGZ-AWEZNQCLSA-N 1 0 389.265 2.650 20 0 GFADRO O=C(C[NH2+][C@@H](CO)C1CCOCC1)Nc1cc(Cl)c(Cl)cc1Cl ZINC000573237175 564628960 /nfs/dbraw/zinc/62/89/60/564628960.db2.gz APVLJPNDHIHJGY-AWEZNQCLSA-N 1 0 381.687 2.962 20 0 GFADRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)C(=O)NCc2c(Cl)cccc2Cl)C1 ZINC000550730081 564629898 /nfs/dbraw/zinc/62/98/98/564629898.db2.gz XXNZJAMWHHCJSU-WBMJQRKESA-N 1 0 384.307 2.552 20 0 GFADRO CN(C)c1cc(Br)cc(C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)c1 ZINC000550773540 564630704 /nfs/dbraw/zinc/63/07/04/564630704.db2.gz PFOCBCXPJHPQJX-UHFFFAOYSA-N 1 0 386.253 3.348 20 0 GFADRO C[C@H](Oc1ccccc1Br)C(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1 ZINC000485939676 564631818 /nfs/dbraw/zinc/63/18/18/564631818.db2.gz MULNIGGWZVRHSK-GJZGRUSLSA-N 1 0 399.329 2.786 20 0 GFADRO C[C@@H](CNC(=O)N[C@@H](C)c1ncc(Br)cn1)[N@@H+]1CCC[C@@H](C)C1 ZINC000573307379 564632069 /nfs/dbraw/zinc/63/20/69/564632069.db2.gz NCAXYOCYDVAVBH-AGIUHOORSA-N 1 0 384.322 2.720 20 0 GFADRO C[NH+]1CCC2(CCCN2C(=O)C(=O)NCc2cccc(Cl)c2Cl)CC1 ZINC000550817189 564632706 /nfs/dbraw/zinc/63/27/06/564632706.db2.gz RXKUWGLNRZAZBJ-UHFFFAOYSA-N 1 0 384.307 2.696 20 0 GFADRO C[C@H](CNC(=O)CCS(=O)(=O)c1ccc(Cl)cc1)[N@@H+]1CCCC[C@@H]1C ZINC000485945143 564632801 /nfs/dbraw/zinc/63/28/01/564632801.db2.gz NLUIUYQWTXDOCX-LSDHHAIUSA-N 1 0 386.945 2.883 20 0 GFADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)CCCc1ccc(Cl)c(Cl)c1 ZINC000521679683 564634127 /nfs/dbraw/zinc/63/41/27/564634127.db2.gz YEAVYSNBNHLHDG-INIZCTEOSA-N 1 0 386.323 2.772 20 0 GFADRO C[NH+]1CCC(Oc2ccc(Cl)cc2NC(=O)CNCC(F)(F)F)CC1 ZINC000456796240 564634840 /nfs/dbraw/zinc/63/48/40/564634840.db2.gz VNDZABCHTHLMTF-UHFFFAOYSA-N 1 0 379.810 2.903 20 0 GFADRO Fc1cc(Br)cc2c1CC[C@H]2NCc1nnc(C2CC[NH2+]CC2)[nH]1 ZINC000573438007 564637286 /nfs/dbraw/zinc/63/72/86/564637286.db2.gz VAWKUOWSXWRXOT-OAHLLOKOSA-N 1 0 394.292 2.950 20 0 GFADRO COCCO[C@@H]1COCC[C@@H]1[NH2+][C@@H](C)c1ccc(OC)c(Br)c1 ZINC000486061130 564637746 /nfs/dbraw/zinc/63/77/46/564637746.db2.gz IUMWQMFHWLMNNG-YLQAJVPDSA-N 1 0 388.302 2.929 20 0 GFADRO C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)NCc3c(Cl)cccc3Cl)CC[C@@H]21 ZINC000551111437 564637919 /nfs/dbraw/zinc/63/79/19/564637919.db2.gz LHJVAMZDPBHTJN-LRDDRELGSA-N 1 0 384.307 2.552 20 0 GFADRO [NH3+][C@@H]1CCO[C@@H](C2CCN(CC(=O)Nc3ccc(Br)cc3)CC2)C1 ZINC000573467741 564639239 /nfs/dbraw/zinc/63/92/39/564639239.db2.gz VRUFAQQAUGEWPG-NVXWUHKLSA-N 1 0 396.329 2.606 20 0 GFADRO C[C@@H](Cc1ccc(F)c(Br)c1)NC(=O)NCCNc1cc[nH+]cc1 ZINC000486100944 564639597 /nfs/dbraw/zinc/63/95/97/564639597.db2.gz XQFZAIHYBVAJCA-LBPRGKRZSA-N 1 0 395.276 2.747 20 0 GFADRO COc1cc(Br)ccc1CN(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000573488099 564640410 /nfs/dbraw/zinc/64/04/10/564640410.db2.gz OMDOKNZSMUTQAP-UHFFFAOYSA-N 1 0 384.362 2.916 20 0 GFADRO CCc1noc(C)c1C[NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000573558428 564643734 /nfs/dbraw/zinc/64/37/34/564643734.db2.gz UHOYBHCLYHVOQO-CYBMUJFWSA-N 1 0 387.249 2.977 20 0 GFADRO COc1ccc(Cl)cc1S(=O)(=O)NCC(C)(C)[NH+]1CCC(OC)CC1 ZINC000486256785 564646265 /nfs/dbraw/zinc/64/62/65/564646265.db2.gz YAXXSQKXTNZSND-UHFFFAOYSA-N 1 0 390.933 2.516 20 0 GFADRO C[NH+](C)[C@@]1(CNC(=O)N2CCc3ccc(Br)cc3C2)CCSC1 ZINC000551314617 564646822 /nfs/dbraw/zinc/64/68/22/564646822.db2.gz PAKWZQXANJRYJQ-QGZVFWFLSA-N 1 0 398.370 2.954 20 0 GFADRO C[N@H+](CCn1cc(Br)cn1)CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000573641708 564647841 /nfs/dbraw/zinc/64/78/41/564647841.db2.gz KQOYGMXDUBERNX-UHFFFAOYSA-N 1 0 385.350 2.862 20 0 GFADRO CNC(=O)Cc1nc(C[NH2+][C@H]2CCN(C)[C@H]2c2ccc(Cl)cc2)cs1 ZINC000573648828 564648071 /nfs/dbraw/zinc/64/80/71/564648071.db2.gz QTXXBUADZRGNGY-YJBOKZPZSA-N 1 0 378.929 2.620 20 0 GFADRO CC(=O)Nc1nnc(SC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)s1 ZINC000551423755 564650053 /nfs/dbraw/zinc/65/00/53/564650053.db2.gz LQRNYUAEORACFV-HNNXBMFYSA-N 1 0 378.523 2.880 20 0 GFADRO CC(C)C[NH+]1CCN(C(=O)c2cc(Br)c3c(c2)OCCO3)CC1 ZINC000522750098 564656031 /nfs/dbraw/zinc/65/60/31/564656031.db2.gz SPFJGEZMNVOOHQ-UHFFFAOYSA-N 1 0 383.286 2.634 20 0 GFADRO Cc1nc(NC(=O)c2ccc3c[nH+]cn3c2)ccc1I ZINC000551581544 564656126 /nfs/dbraw/zinc/65/61/26/564656126.db2.gz HTWFYYBSIMBNGB-UHFFFAOYSA-N 1 0 378.173 2.895 20 0 GFADRO CC(C)[NH+]1CCN([C@H]2CCN(C(=O)c3cccc(F)c3Br)C2)CC1 ZINC000551591405 564656287 /nfs/dbraw/zinc/65/62/87/564656287.db2.gz KTEQGFKNKIGVPU-AWEZNQCLSA-N 1 0 398.320 2.829 20 0 GFADRO [NH3+]CC[C@@H]1CCCN(C(=O)c2ccc(-n3cc(Br)cn3)cc2)C1 ZINC000573844137 564656443 /nfs/dbraw/zinc/65/64/43/564656443.db2.gz PCZMQVFOKIKKLO-ZDUSSCGKSA-N 1 0 377.286 2.836 20 0 GFADRO C[C@@H](Cc1ccc(Br)cc1F)[NH2+]C1CCC2(CC1)NC(=O)NC2=O ZINC000573846246 564656743 /nfs/dbraw/zinc/65/67/43/564656743.db2.gz YIQQYPRAHHNZGJ-ITNLDZRZSA-N 1 0 398.276 2.630 20 0 GFADRO O=C(NCC1(c2ccccc2Br)CC1)N1CC[NH+]2CCC1CC2 ZINC000551654410 564659090 /nfs/dbraw/zinc/65/90/90/564659090.db2.gz AKSZMZCGVVMQDK-UHFFFAOYSA-N 1 0 378.314 2.970 20 0 GFADRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)CNC(=O)c2ccc(Cl)cc2Cl)C1 ZINC000522928218 564659268 /nfs/dbraw/zinc/65/92/68/564659268.db2.gz DJRGNMKCLRBLMK-ZDUSSCGKSA-N 1 0 386.323 2.960 20 0 GFADRO O=C(c1cn(C[C@@H]2CCC[NH2+]2)nn1)N1CCc2c(Cl)cc(Cl)cc2C1 ZINC000573918055 564659847 /nfs/dbraw/zinc/65/98/47/564659847.db2.gz LJTXDPCACLFCTF-ZDUSSCGKSA-N 1 0 380.279 2.535 20 0 GFADRO COc1ccc([C@@H](C[NH+](C)C)NC(=O)c2ncsc2Br)cc1 ZINC000573992957 564663620 /nfs/dbraw/zinc/66/36/20/564663620.db2.gz VYTUPJCEDGOCDJ-GFCCVEGCSA-N 1 0 384.299 2.947 20 0 GFADRO COc1ncc([C@@H](C)[NH2+]CCOc2ccc(S(C)(=O)=O)cc2)cc1Cl ZINC000551790218 564663655 /nfs/dbraw/zinc/66/36/55/564663655.db2.gz YDBVUXOKBUUVQG-GFCCVEGCSA-N 1 0 384.885 2.877 20 0 GFADRO C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+][C@H](C)C1(S(C)(=O)=O)CC1 ZINC000573988024 564663697 /nfs/dbraw/zinc/66/36/97/564663697.db2.gz UJPKNCPWLDSRQT-ZIAGYGMSSA-N 1 0 386.945 2.632 20 0 GFADRO COC(=O)c1cn(CC[NH2+][C@H](C)c2csc(-c3csc(C)n3)c2)nn1 ZINC000551813673 564664671 /nfs/dbraw/zinc/66/46/71/564664671.db2.gz PCQZIMRSDNURTK-SNVBAGLBSA-N 1 0 377.495 2.909 20 0 GFADRO CSc1ccc([C@@H](CNC(=O)NCCOCC(F)(F)F)[NH+](C)C)cc1 ZINC000457617285 564667264 /nfs/dbraw/zinc/66/72/64/564667264.db2.gz ORPAQPPPGZCKMR-CQSZACIVSA-N 1 0 379.448 2.889 20 0 GFADRO C[C@H]1CN(CCNC(=O)Cc2csc(-c3ccc(Cl)cc3)n2)CCO1 ZINC000523440085 564667252 /nfs/dbraw/zinc/66/72/52/564667252.db2.gz DDODDNHRVSMKIC-ZDUSSCGKSA-N 1 0 379.913 2.843 20 0 GFADRO O=S(=O)(Cc1ccc(Br)cc1)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000574062372 564667193 /nfs/dbraw/zinc/66/71/93/564667193.db2.gz FYJOWXOGISQJPD-DLBZAZTESA-N 1 0 395.322 2.624 20 0 GFADRO C[C@@H](NC(=O)NC[C@H]1CCC[N@@H+]1CCCO)c1cccc(Br)c1 ZINC000457658936 564667964 /nfs/dbraw/zinc/66/79/64/564667964.db2.gz FCMSTQRZFWFVHC-CZUORRHYSA-N 1 0 384.318 2.656 20 0 GFADRO Cc1cc(Br)c(C(=O)NC[C@H](O)C[NH+]2CCC(C)CC2)s1 ZINC000457677101 564669490 /nfs/dbraw/zinc/66/94/90/564669490.db2.gz XLUJJHIPNDQOCU-LBPRGKRZSA-N 1 0 375.332 2.642 20 0 GFADRO C[C@@H](CC[NH+](C)C)NC(=O)N[C@@H]1CCN(c2ccccc2Br)C1 ZINC000523600944 564670356 /nfs/dbraw/zinc/67/03/56/564670356.db2.gz NJXXOIFEUPKJGW-UONOGXRCSA-N 1 0 383.334 2.667 20 0 GFADRO Cc1cc(Br)c(C(=O)N2CCC([N@@H+](C)C[C@H](C)O)CC2)s1 ZINC000457727150 564671275 /nfs/dbraw/zinc/67/12/75/564671275.db2.gz IDHUMUMUVZLWGS-JTQLQIEISA-N 1 0 375.332 2.736 20 0 GFADRO CCC[NH+](CCC)CCCNC(=O)c1cc(I)c[nH]1 ZINC000523745604 564672828 /nfs/dbraw/zinc/67/28/28/564672828.db2.gz YGSLNPNBHJUDNR-UHFFFAOYSA-N 1 0 377.270 2.861 20 0 GFADRO O=C(N[C@@H](CO)c1cccc(Br)c1)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000487144664 564676977 /nfs/dbraw/zinc/67/69/77/564676977.db2.gz HGDSRAYCMTWTKY-WBVHZDCISA-N 1 0 396.329 2.799 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)c(C)c1C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000574519152 564677291 /nfs/dbraw/zinc/67/72/91/564677291.db2.gz HGTJMKXJOXYKFN-AWEZNQCLSA-N 1 0 377.286 2.733 20 0 GFADRO C[C@H](CNC(=O)c1cc(Br)cnc1OCC1CC1)[NH+]1CCCC1 ZINC000552127306 564678153 /nfs/dbraw/zinc/67/81/53/564678153.db2.gz SBFSAUYEOBNDRZ-GFCCVEGCSA-N 1 0 382.302 2.847 20 0 GFADRO CC[C@@H]1CN(CC[NH2+]CC2=Cc3cc(Br)ccc3OC2)CCO1 ZINC000487174937 564678187 /nfs/dbraw/zinc/67/81/87/564678187.db2.gz YGLRABJHPYHBEA-QGZVFWFLSA-N 1 0 381.314 2.925 20 0 GFADRO C[NH+](C)CCCCC(=O)N1CCN(Cc2ccc(Br)s2)CC1 ZINC000552118360 564678291 /nfs/dbraw/zinc/67/82/91/564678291.db2.gz FJXWJPGTTGVHHG-UHFFFAOYSA-N 1 0 388.375 2.887 20 0 GFADRO C[NH+](C)CCC1CCN(Cc2ncc(I)s2)CC1 ZINC000574557263 564678718 /nfs/dbraw/zinc/67/87/18/564678718.db2.gz PULCDATUBSXGQH-UHFFFAOYSA-N 1 0 379.311 2.911 20 0 GFADRO CC[NH+](CC)CCS(=O)(=O)N1CCc2cc(Br)cc(F)c2C1 ZINC000574559998 564679455 /nfs/dbraw/zinc/67/94/55/564679455.db2.gz QSTOXWWDQDUKFC-UHFFFAOYSA-N 1 0 393.322 2.618 20 0 GFADRO Cc1cc(Br)cc(C)c1S(=O)(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000524331263 564679966 /nfs/dbraw/zinc/67/99/66/564679966.db2.gz AUQZTYFNDAFKPG-LBPRGKRZSA-N 1 0 375.332 2.827 20 0 GFADRO C[C@H]([NH2+]C[C@H](O)COc1cccc(Br)c1)[C@H](O)Cc1ccccc1 ZINC000574638379 564682279 /nfs/dbraw/zinc/68/22/79/564682279.db2.gz QUYLOIKDGBMMRA-UCLAIMLFSA-N 1 0 394.309 2.771 20 0 GFADRO C[NH+](C)C1(CNC(=O)c2cc(I)c[nH]2)CCCCC1 ZINC000524524810 564682717 /nfs/dbraw/zinc/68/27/17/564682717.db2.gz RSMFODJVZBGDMP-UHFFFAOYSA-N 1 0 375.254 2.614 20 0 GFADRO C[C@@H]1C[NH2+]CC[C@@H]1NS(=O)(=O)c1ccc2ccccc2c1Br ZINC000574637603 564682869 /nfs/dbraw/zinc/68/28/69/564682869.db2.gz FONVXIXEANQSFS-RISCZKNCSA-N 1 0 383.311 2.879 20 0 GFADRO C[N@@H+]1CCC[C@@H](CCNC(=O)NCCOc2ccc(Br)cc2)C1 ZINC000458078531 564686754 /nfs/dbraw/zinc/68/67/54/564686754.db2.gz ISIBPCDCSXQDME-AWEZNQCLSA-N 1 0 384.318 2.859 20 0 GFADRO C[C@H](CNC(=O)N[C@@H]1CC[N@@H+](C2CC2)C1)Oc1ccc(Br)cc1 ZINC000524787075 564687420 /nfs/dbraw/zinc/68/74/20/564687420.db2.gz SNBUCNBOHZYLHI-TZMCWYRMSA-N 1 0 382.302 2.752 20 0 GFADRO OC[C@@H]1CCC[C@H]([NH2+]C[C@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000574917246 564688787 /nfs/dbraw/zinc/68/87/87/564688787.db2.gz YUCRXPMRVNEVKH-XBFCOCLRSA-N 1 0 392.721 2.983 20 0 GFADRO C[C@H](CNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1)c1c(Cl)cccc1Cl ZINC000552471651 564692561 /nfs/dbraw/zinc/69/25/61/564692561.db2.gz SABWZVDIXXDZOZ-NEPJUHHUSA-N 1 0 384.307 2.566 20 0 GFADRO COc1cc(C(=O)NCC[C@H]2CCC[N@H+](C)C2)cc(OC)c1Br ZINC000458185709 564692764 /nfs/dbraw/zinc/69/27/64/564692764.db2.gz KIMXFCRKSFAOMC-GFCCVEGCSA-N 1 0 385.302 2.928 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)C2CCN(C(=O)c3ccc(Cl)s3)CC2)CC[N@@H+]1C ZINC000525102701 564693137 /nfs/dbraw/zinc/69/31/37/564693137.db2.gz WHLRFMQMGGIHJL-OCCSQVGLSA-N 1 0 383.945 2.853 20 0 GFADRO CC(C)(CNC(=O)c1cn2ccc(Br)cc2n1)C[NH+]1CCCC1 ZINC000552520001 564694144 /nfs/dbraw/zinc/69/41/44/564694144.db2.gz CSPIVWZKOYGYSK-UHFFFAOYSA-N 1 0 379.302 2.949 20 0 GFADRO C[C@]1(C[C@@H]2CCC[N@@H+]2Cc2cnc(-c3cccs3)s2)NC(=O)NC1=O ZINC000575218856 564694348 /nfs/dbraw/zinc/69/43/48/564694348.db2.gz MITLJXRHHWMXOW-APPDUMDISA-N 1 0 376.507 2.824 20 0 GFADRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1Br ZINC000575311518 564695395 /nfs/dbraw/zinc/69/53/95/564695395.db2.gz KPYJPJZCKHCYII-HTQZYQBOSA-N 1 0 396.207 2.648 20 0 GFADRO CC[C@H](C)[N@H+](C)CCNC(=O)N[C@@H]1CCO[C@H]1c1cncc(Br)c1 ZINC000458242500 564695336 /nfs/dbraw/zinc/69/53/36/564695336.db2.gz RAFWVZQGKMOQST-MAZHCROVSA-N 1 0 399.333 2.704 20 0 GFADRO C[C@H]([NH2+]C1CCN(CC(F)(F)F)CC1)c1cccc(NS(C)(=O)=O)c1 ZINC000552562098 564695488 /nfs/dbraw/zinc/69/54/88/564695488.db2.gz PZNMXRLIQTWQQP-LBPRGKRZSA-N 1 0 379.448 2.735 20 0 GFADRO O=C(NC1(c2ccc(Br)cc2)CC1)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000575373962 564697423 /nfs/dbraw/zinc/69/74/23/564697423.db2.gz PTRGHAVOZNQQDX-INIZCTEOSA-N 1 0 389.297 2.989 20 0 GFADRO C[C@H]1C[C@H](NC(=O)NCc2nc3c(cccc3Br)[nH]2)CC[N@@H+]1C ZINC000458429467 564702051 /nfs/dbraw/zinc/70/20/51/564702051.db2.gz HAAKSXSQOHSSSA-WDEREUQCSA-N 1 0 380.290 2.607 20 0 GFADRO O=C(N[C@H]1COc2c1ccc(Cl)c2Cl)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000458460662 564702918 /nfs/dbraw/zinc/70/29/18/564702918.db2.gz IWEGMYVNICLSMF-FZMZJTMJSA-N 1 0 388.295 2.573 20 0 GFADRO CC[S@](=O)[C@H]1CCC[C@H](NC(=O)N(CC[NH+](C)C)Cc2ccsc2)C1 ZINC000458479607 564703733 /nfs/dbraw/zinc/70/37/33/564703733.db2.gz BOFKAMPVNREWTA-TZPNTHKFSA-N 1 0 385.599 2.901 20 0 GFADRO COCCOc1ccc(Br)cc1NC(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000576010364 564704919 /nfs/dbraw/zinc/70/49/19/564704919.db2.gz JUSUDLKJYPLSED-STQMWFEESA-N 1 0 398.301 2.548 20 0 GFADRO COc1cc(Br)ccc1C[NH2+][C@@H](Cc1ccc(F)cc1)C(N)=O ZINC000488186681 564706610 /nfs/dbraw/zinc/70/66/10/564706610.db2.gz SMJXMJFFUBWONZ-HNNXBMFYSA-N 1 0 381.245 2.783 20 0 GFADRO C[C@@H](C(=O)NCCCC[NH+]1CCN(C)CC1)c1ccc(Br)s1 ZINC000525705399 564706588 /nfs/dbraw/zinc/70/65/88/564706588.db2.gz AXWCERDKTALFRY-CYBMUJFWSA-N 1 0 388.375 2.758 20 0 GFADRO C[C@H]1CC[N@H+](CCNS(=O)(=O)c2cc(Cl)ccc2Br)C1 ZINC000576177653 564706727 /nfs/dbraw/zinc/70/67/27/564706727.db2.gz OJVVRHALAPQPPV-JTQLQIEISA-N 1 0 381.723 2.723 20 0 GFADRO CCOc1c(Cl)cc(NC(=O)C(=O)NC[C@@H]2CCC[N@H+](C)C2)cc1Cl ZINC000525838329 564710564 /nfs/dbraw/zinc/71/05/64/564710564.db2.gz VFNQKEWFPVQDJU-NSHDSACASA-N 1 0 388.295 2.789 20 0 GFADRO C[C@H](NC(=O)NC[C@H]1CCCC[N@@H+]1CCO)c1ccc(Br)s1 ZINC000458697098 564712613 /nfs/dbraw/zinc/71/26/13/564712613.db2.gz UJKFWJSSWMGWPB-NWDGAFQWSA-N 1 0 390.347 2.718 20 0 GFADRO COCC[NH2+]C1CCN(C(=O)N[C@@H](C)c2ccc(Br)cc2)CC1 ZINC000576352465 564712720 /nfs/dbraw/zinc/71/27/20/564712720.db2.gz TWRYFWCWRLNVRA-ZDUSSCGKSA-N 1 0 384.318 2.920 20 0 GFADRO O=C(CC[NH2+][C@H]1CC(=O)N2CCCC[C@H]12)Nc1ccc(Br)cc1 ZINC000576511103 564714846 /nfs/dbraw/zinc/71/48/46/564714846.db2.gz FGZGLZQGLKBNHQ-LSDHHAIUSA-N 1 0 380.286 2.521 20 0 GFADRO CSC1(CNC(=O)N(C)[C@H](CO)c2ccc(Cl)cc2)CC[NH+](C)CC1 ZINC000458786823 564718126 /nfs/dbraw/zinc/71/81/26/564718126.db2.gz KJQCYFAGXKOOOG-MRXNPFEDSA-N 1 0 385.961 2.842 20 0 GFADRO CC[N@H+](Cc1ccc(Cl)c(Cl)c1)[C@H](C)C(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000488729485 564719084 /nfs/dbraw/zinc/71/90/84/564719084.db2.gz UCOKTNVSNDQORF-TZMCWYRMSA-N 1 0 386.323 2.928 20 0 GFADRO CN(CC(=O)Nc1ccc(Br)cn1)C[C@@H](C[NH3+])c1ccc(F)cc1 ZINC000576827745 564720978 /nfs/dbraw/zinc/72/09/78/564720978.db2.gz ZXLZLTWDPVHZHV-CYBMUJFWSA-N 1 0 395.276 2.596 20 0 GFADRO CCC[C@H](C)[C@H](CO)[NH2+]CC(=O)Nc1ccccc1I ZINC000576947049 564721229 /nfs/dbraw/zinc/72/12/29/564721229.db2.gz HRXLGWPFOFGPOH-FZMZJTMJSA-N 1 0 390.265 2.616 20 0 GFADRO O=C(c1c[nH]c2ccc(Br)cc21)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000488841325 564721883 /nfs/dbraw/zinc/72/18/83/564721883.db2.gz QDCWCKIHYSLLMZ-ZDUSSCGKSA-N 1 0 392.297 2.725 20 0 GFADRO O=C(CCOc1cccc(Cl)c1Cl)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000488851793 564722246 /nfs/dbraw/zinc/72/22/46/564722246.db2.gz IPUBJZAINYQCDW-CQSZACIVSA-N 1 0 387.307 2.943 20 0 GFADRO CC[C@@](NC(=O)C[N@H+](C)[C@@H]1CCSC1)(C(=O)OC)c1ccc(Cl)cc1 ZINC000553472380 564722400 /nfs/dbraw/zinc/72/24/00/564722400.db2.gz AJXGNOYMELNWIU-QAPCUYQASA-N 1 0 384.929 2.672 20 0 GFADRO Cc1nc(CNC(=O)N2CC[C@H]([NH+]3CCCC3)[C@H]2C)sc1Br ZINC000458920504 564723962 /nfs/dbraw/zinc/72/39/62/564723962.db2.gz FQRRAGDZEGATJA-NEPJUHHUSA-N 1 0 387.347 2.982 20 0 GFADRO Cc1nc(CNC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)sc1Br ZINC000458930918 564724814 /nfs/dbraw/zinc/72/48/14/564724814.db2.gz PLUJZHVNBSSKPX-VXGBXAGGSA-N 1 0 387.347 2.840 20 0 GFADRO Cc1nc(CNC(=O)N(C)CCC[NH+]2CCCC2)sc1Br ZINC000458935805 564724924 /nfs/dbraw/zinc/72/49/24/564724924.db2.gz WCPPPFCAOIGLIW-UHFFFAOYSA-N 1 0 375.336 2.841 20 0 GFADRO O=C(CCCOc1ccccc1Br)NCC[NH+]1CCSCC1 ZINC000488997808 564725851 /nfs/dbraw/zinc/72/58/51/564725851.db2.gz GHBQEMPIRARYEX-UHFFFAOYSA-N 1 0 387.343 2.773 20 0 GFADRO O=S(=O)(NCCC[NH+]1CCCCC1)c1cccc(OC(F)(F)F)c1F ZINC000489056439 564728234 /nfs/dbraw/zinc/72/82/34/564728234.db2.gz YFWJCZWEVFGOBS-UHFFFAOYSA-N 1 0 384.395 2.879 20 0 GFADRO C[C@H](C[C@H](C)[NH3+])NC(=O)N[C@H](C)c1nc(-c2ccc(Br)cc2)no1 ZINC000577219528 564730259 /nfs/dbraw/zinc/73/02/59/564730259.db2.gz KJDBFBNEWPKJBX-HBNTYKKESA-N 1 0 396.289 2.985 20 0 GFADRO CCOC(=O)c1cc(Cl)cc(S(=O)(=O)NC[C@@H](C)C[NH+]2CCCC2)c1 ZINC000489117918 564730344 /nfs/dbraw/zinc/73/03/44/564730344.db2.gz LXMCYQBNCUYLMW-CYBMUJFWSA-N 1 0 388.917 2.527 20 0 GFADRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)NCCc1cccc(Br)c1 ZINC000459149077 564732446 /nfs/dbraw/zinc/73/24/46/564732446.db2.gz LSPSMIPITMTUSB-QGZVFWFLSA-N 1 0 398.345 2.744 20 0 GFADRO COCC[N@@H+]1CC[C@@H](NC(=O)NC2(Cc3ccccc3Br)CC2)C1 ZINC000489201187 564732452 /nfs/dbraw/zinc/73/24/52/564732452.db2.gz CODAHBBVYZAHAG-OAHLLOKOSA-N 1 0 396.329 2.544 20 0 GFADRO O=C1N[C@]2(CCC[NH2+]C2)C(=O)N1Cc1csc(-c2ccc(Cl)cc2)n1 ZINC000577278022 564732820 /nfs/dbraw/zinc/73/28/20/564732820.db2.gz LHRXFFOMBQVGFX-KRWDZBQOSA-N 1 0 376.869 2.638 20 0 GFADRO Cc1[nH]c(=O)sc1S(=O)(=O)NCC[NH2+]C1CCC2(CCCCC2)CC1 ZINC000527214716 564734477 /nfs/dbraw/zinc/73/44/77/564734477.db2.gz NUUFSUYDGCWBEM-UHFFFAOYSA-N 1 0 387.571 2.918 20 0 GFADRO CC[C@H]1CN(C(=O)NCc2ccc(Br)c(C)c2)CC[N@@H+]1C[C@@H](C)O ZINC000459172223 564734781 /nfs/dbraw/zinc/73/47/81/564734781.db2.gz JCKZILDHKOJEIV-ZBFHGGJFSA-N 1 0 398.345 2.744 20 0 GFADRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)Cc1ccccc1I ZINC000553772816 564734874 /nfs/dbraw/zinc/73/48/74/564734874.db2.gz QOKGVZINULJXJD-CJNGLKHVSA-N 1 0 398.288 2.919 20 0 GFADRO CN(CC1CC[NH+](C)CC1)C(=O)NCc1nc2c(cccc2Br)[nH]1 ZINC000459187608 564735192 /nfs/dbraw/zinc/73/51/92/564735192.db2.gz CCDNYRHYFQNXQN-UHFFFAOYSA-N 1 0 394.317 2.809 20 0 GFADRO Cc1cc(CNC(=O)N(C)CCCN2CC[NH+](C)CC2)ccc1Br ZINC000459186291 564735334 /nfs/dbraw/zinc/73/53/34/564735334.db2.gz UNQYINJGNPEWAH-UHFFFAOYSA-N 1 0 397.361 2.536 20 0 GFADRO C[C@H]1C[C@@H]1[N@@H+]1CCN(C(=O)C(=O)c2ccc(Br)cc2)C[C@@H](C)C1 ZINC000553783474 564735859 /nfs/dbraw/zinc/73/58/59/564735859.db2.gz QFMMSCMDJYCGRI-XEZPLFJOSA-N 1 0 379.298 2.821 20 0 GFADRO CCC[N@@H+]1CCC[C@H]1C(=O)NCc1noc(-c2cccc(Br)c2)n1 ZINC000527273620 564736322 /nfs/dbraw/zinc/73/63/22/564736322.db2.gz XBKMGNYNBLNMPZ-AWEZNQCLSA-N 1 0 393.285 2.990 20 0 GFADRO C[N@@H+]1CC[C@@]2(CCN(C(=O)c3c(F)cccc3I)C2)C1 ZINC000553794381 564736953 /nfs/dbraw/zinc/73/69/53/564736953.db2.gz KOCZNYSZQFXXCT-OAHLLOKOSA-N 1 0 388.224 2.598 20 0 GFADRO COc1cc(CN(C)C(=O)C[N@H+](C)[C@@H]2CCSC2)c(SC)cc1OC ZINC000489507327 564741362 /nfs/dbraw/zinc/74/13/62/564741362.db2.gz CHQICHFDYHCYET-CQSZACIVSA-N 1 0 384.567 2.821 20 0 GFADRO COC(=O)CC1([NH2+]CC(=O)N(C)Cc2cc(Br)cs2)CCC1 ZINC000459395849 564742248 /nfs/dbraw/zinc/74/22/48/564742248.db2.gz ZTEZADSYJKQDMC-UHFFFAOYSA-N 1 0 389.315 2.544 20 0 GFADRO Brc1cc2c(cc1C[NH2+][C@@H]1CCOC3(CCOCC3)C1)OCO2 ZINC000553877726 564742409 /nfs/dbraw/zinc/74/24/09/564742409.db2.gz OEKZYVVEOILYKT-CYBMUJFWSA-N 1 0 384.270 2.996 20 0 GFADRO C[C@@H]1NC(=O)N(CC[NH2+][C@@H](c2cc(F)cc(Br)c2)C2CC2)C1=O ZINC000459402952 564742474 /nfs/dbraw/zinc/74/24/74/564742474.db2.gz GFSDUZQFQRJGKD-LKFCYVNXSA-N 1 0 384.249 2.569 20 0 GFADRO C[C@H](Cc1ccccc1C(F)(F)F)N(C)S(=O)(=O)CC[NH+]1CCCC1 ZINC000553882420 564743315 /nfs/dbraw/zinc/74/33/15/564743315.db2.gz HMLYAINXYRUFMF-CQSZACIVSA-N 1 0 378.460 2.994 20 0 GFADRO Cc1cc(F)c(Br)cc1S(=O)(=O)N[C@@H](C)C[N@@H+](C)C(C)C ZINC000578804315 564744265 /nfs/dbraw/zinc/74/42/65/564744265.db2.gz SCDALDNUVWQCFD-NSHDSACASA-N 1 0 381.311 2.904 20 0 GFADRO Oc1cccc(CNC[C@@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)c1Br ZINC000459463968 564746240 /nfs/dbraw/zinc/74/62/40/564746240.db2.gz WIGDTPBAZNTEQV-DLBZAZTESA-N 1 0 391.309 2.880 20 0 GFADRO CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@H](O)COc2ccc(Br)cc2)C1 ZINC000579345056 564747130 /nfs/dbraw/zinc/74/71/30/564747130.db2.gz UVTZBRYBCYBWHL-SNPRPXQTSA-N 1 0 386.286 2.510 20 0 GFADRO CCOC(=O)[C@]1(COC)CCCN(Cc2cccc(O)c2Br)C1 ZINC000459540591 564749415 /nfs/dbraw/zinc/74/94/15/564749415.db2.gz YACYNSYERDZATQ-QGZVFWFLSA-N 1 0 386.286 2.946 20 0 GFADRO O=S1(=O)CCC[C@H](C[NH2+][C@@H]2CCc3c2c(Br)ccc3F)C1 ZINC000554092990 564750136 /nfs/dbraw/zinc/75/01/36/564750136.db2.gz SDQGTIVKOSCSFO-QMTHXVAHSA-N 1 0 376.291 2.990 20 0 GFADRO CC[NH+](CC)CCS(=O)(=O)N1CCc2ccc(F)c(Br)c2C1 ZINC000527613664 564750139 /nfs/dbraw/zinc/75/01/39/564750139.db2.gz BAZSUUKRDNTBDP-UHFFFAOYSA-N 1 0 393.322 2.618 20 0 GFADRO O=C1NCCN1C1CN(Cc2ccc(-c3cccc(Br)c3)o2)C1 ZINC000459547952 564750614 /nfs/dbraw/zinc/75/06/14/564750614.db2.gz KSDVQUJLXVCRHK-UHFFFAOYSA-N 1 0 376.254 2.919 20 0 GFADRO CSCC[C@H]([NH2+][C@@H](C)c1ccc(-n2cncn2)cc1Cl)C(=O)N(C)C ZINC000489795292 564752519 /nfs/dbraw/zinc/75/25/19/564752519.db2.gz IZCPCFFOUOUPDZ-LRDDRELGSA-N 1 0 381.933 2.781 20 0 GFADRO O=S(=O)(C1CC1)N1CCC([NH2+]Cc2ccsc2Br)CC1 ZINC000527677255 564755422 /nfs/dbraw/zinc/75/54/22/564755422.db2.gz XUYAEWZFOMVQNJ-UHFFFAOYSA-N 1 0 379.345 2.557 20 0 GFADRO C[C@@H](NC(=O)NCC[N@@H+]1CCCC(C)(C)C1)c1ncc(Br)cn1 ZINC000580411498 564757080 /nfs/dbraw/zinc/75/70/80/564757080.db2.gz HZEZNXZADGBLMA-GFCCVEGCSA-N 1 0 384.322 2.721 20 0 GFADRO OC[C@H](C[NH2+]Cc1c[nH]c2nccnc12)Cc1cc(F)cc(Br)c1 ZINC000459696933 564757782 /nfs/dbraw/zinc/75/77/82/564757782.db2.gz KHSWQXRESKWJAV-LBPRGKRZSA-N 1 0 393.260 2.752 20 0 GFADRO Cc1cc(S(=O)(=O)N2CCC[C@]3(CC[NH2+]C3)C2)sc1Br ZINC000490014990 564760114 /nfs/dbraw/zinc/76/01/14/564760114.db2.gz RYVGQTZBAZVEGJ-CYBMUJFWSA-N 1 0 379.345 2.583 20 0 GFADRO COc1ccc(Br)cc1C[NH2+][C@@]1(CO)COc2ccccc2C1 ZINC000527769263 564760412 /nfs/dbraw/zinc/76/04/12/564760412.db2.gz ZEIMTFCKLGUZLJ-SFHVURJKSA-N 1 0 378.266 2.914 20 0 GFADRO OC[C@]1([NH2+]Cc2cnc3ccc(Br)cn23)COc2ccccc2C1 ZINC000527768512 564760452 /nfs/dbraw/zinc/76/04/52/564760452.db2.gz BQGNJJDVISHNHY-SFHVURJKSA-N 1 0 388.265 2.553 20 0 GFADRO CC[C@H](NC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1)c1ccc(Cl)s1 ZINC000554437031 564761398 /nfs/dbraw/zinc/76/13/98/564761398.db2.gz CZVSYOVFMHUBBO-MELADBBJSA-N 1 0 383.945 2.912 20 0 GFADRO COc1ccc(C[N@@H+]2CCCN(C(=O)[C@@H]3C[C@]3(C)Br)CC2)cc1 ZINC000527795385 564761701 /nfs/dbraw/zinc/76/17/01/564761701.db2.gz MVKCBANUJNLICR-WMZOPIPTSA-N 1 0 381.314 2.903 20 0 GFADRO O=S(=O)(c1cc(Br)sc1Cl)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000490092759 564762987 /nfs/dbraw/zinc/76/29/87/564762987.db2.gz ZNCGRSHBVLHEGX-GFCCVEGCSA-N 1 0 399.763 2.928 20 0 GFADRO C[C@@H]1C[N@@H+](CCCCNc2ncccc2I)C[C@H](C)O1 ZINC000490139401 564764408 /nfs/dbraw/zinc/76/44/08/564764408.db2.gz KMANFAIIJXWTSU-BETUJISGSA-N 1 0 389.281 2.988 20 0 GFADRO C[C@@H]1CN(S(=O)(=O)Cc2ccc(Cl)cc2Br)[C@H](C)C[NH2+]1 ZINC000580563160 564764599 /nfs/dbraw/zinc/76/45/99/564764599.db2.gz DDTQVRZSXHFURD-NXEZZACHSA-N 1 0 381.723 2.615 20 0 GFADRO CS(=O)(=O)CC1CCC([NH2+]CCc2cccc3c2OC(F)(F)O3)CC1 ZINC000527947022 564765287 /nfs/dbraw/zinc/76/52/87/564765287.db2.gz NHNKAZBHJJHSTH-UHFFFAOYSA-N 1 0 375.437 2.744 20 0 GFADRO CN(C)c1cc[nH+]cc1C(=O)N(CCO)Cc1cccc(Br)c1 ZINC000490230787 564766456 /nfs/dbraw/zinc/76/64/56/564766456.db2.gz NSPPGPSRLVDOBV-UHFFFAOYSA-N 1 0 378.270 2.545 20 0 GFADRO O=C([C@H](c1ccc(Br)cc1)N1CCCC1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000580644782 564767878 /nfs/dbraw/zinc/76/78/78/564767878.db2.gz SUJNWISBHYLJDH-NXHRZFHOSA-N 1 0 392.341 2.796 20 0 GFADRO O=S(=O)(c1cc(Cl)ccc1Cl)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000528059145 564769027 /nfs/dbraw/zinc/76/90/27/564769027.db2.gz DGHKAILGWVELMB-CQSZACIVSA-N 1 0 393.336 2.773 20 0 GFADRO C[C@@H](CC(=O)NCCc1ccccc1)[NH2+]CCCn1cc(Br)cn1 ZINC000490364979 564769270 /nfs/dbraw/zinc/76/92/70/564769270.db2.gz IYVJRUMVJIHAIJ-HNNXBMFYSA-N 1 0 393.329 2.763 20 0 GFADRO Cc1nc2cc(Cl)c(NC(=O)C(=O)NC[C@H]3CCC[N@@H+](C)C3)cc2s1 ZINC000580689748 564769630 /nfs/dbraw/zinc/76/96/30/564769630.db2.gz LCRAZXNFCYCPGP-LLVKDONJSA-N 1 0 380.901 2.655 20 0 GFADRO Cn1ncc2c1CCC[C@@H]2[NH2+]C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000580709707 564770309 /nfs/dbraw/zinc/77/03/09/564770309.db2.gz LVGDNFUAFRROLZ-BBRMVZONSA-N 1 0 398.276 2.729 20 0 GFADRO NS(=O)(=O)c1ccc(NC[C@H]2CC[N@@H+]2C2CCCC2)c(C(F)(F)F)c1 ZINC000528212381 564773583 /nfs/dbraw/zinc/77/35/83/564773583.db2.gz XAOBWBYMBUBDPZ-GFCCVEGCSA-N 1 0 377.432 2.782 20 0 GFADRO [NH3+]C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)c1ccc(Cl)c(Cl)c1)C2=O ZINC000580771684 564773972 /nfs/dbraw/zinc/77/39/72/564773972.db2.gz JJULTNHCHSUDBX-PIGZYNQJSA-N 1 0 384.263 2.616 20 0 GFADRO O=C(NC[C@H]1C[NH2+]CCCO1)Nc1ccc(C(F)(F)F)cc1Br ZINC000580821719 564775786 /nfs/dbraw/zinc/77/57/86/564775786.db2.gz VZUHLGIQDWINNP-SNVBAGLBSA-N 1 0 396.207 2.968 20 0 GFADRO COCCN(Cc1cccnc1)C(=O)[C@@](C)([NH3+])c1ccc(Br)cc1 ZINC000580834025 564776698 /nfs/dbraw/zinc/77/66/98/564776698.db2.gz NTKOCHAOIMKBTA-SFHVURJKSA-N 1 0 392.297 2.693 20 0 GFADRO CCCC[N@H+](C)C[C@@H](C)Nc1c(F)cc(S(N)(=O)=O)cc1Br ZINC000580864872 564777359 /nfs/dbraw/zinc/77/73/59/564777359.db2.gz CDGKLFNNRDVPAF-SNVBAGLBSA-N 1 0 396.326 2.768 20 0 GFADRO C[N@@H+]1CCCN(C(=O)c2ccccc2NC(=O)[C@@H]2C[C@@]2(C)Br)CC1 ZINC000528333831 564777813 /nfs/dbraw/zinc/77/78/13/564777813.db2.gz CUJXVIKZUQUBKS-KBXCAEBGSA-N 1 0 394.313 2.576 20 0 GFADRO CC[N@H+](CC(=O)N1CCN(C(=O)c2cc3sccc3s2)CC1)C1CC1 ZINC000490590676 564778500 /nfs/dbraw/zinc/77/85/00/564778500.db2.gz VPYWWWNMKQCTSQ-UHFFFAOYSA-N 1 0 377.535 2.732 20 0 GFADRO CO[C@@H]1CCN(C(=O)c2cc(C)nc3ccc(Br)cc32)[C@H](C[NH3+])C1 ZINC000580956599 564781363 /nfs/dbraw/zinc/78/13/63/564781363.db2.gz CBTVDWGOYIYVBX-UONOGXRCSA-N 1 0 392.297 2.884 20 0 GFADRO O=C(C[C@@H]1C[NH2+]CCO1)Nc1nc(-c2ccccc2)c(Br)s1 ZINC000580950281 564781518 /nfs/dbraw/zinc/78/15/18/564781518.db2.gz LHWGPWYFEMMHNF-LLVKDONJSA-N 1 0 382.283 2.890 20 0 GFADRO CS[C@H]1CN(S(=O)(=O)c2cc(Cl)ccc2F)C[C@@H]1[NH+]1CCCC1 ZINC000580968131 564781889 /nfs/dbraw/zinc/78/18/89/564781889.db2.gz ZYLMZEXRJVXABS-KBPBESRZSA-N 1 0 378.922 2.679 20 0 GFADRO CC(C)[N@@H+](C)C[C@H](C)NC(=O)CSc1nncn1-c1cccc(Cl)c1 ZINC000555161583 564785672 /nfs/dbraw/zinc/78/56/72/564785672.db2.gz OBLJQNDFJKWZMV-ZDUSSCGKSA-N 1 0 381.933 2.858 20 0 GFADRO Cc1sc(C(=O)N2CCN(C3CCC3)C[C@@H](C)C2)cc1CS(C)(=O)=O ZINC000581088292 564786863 /nfs/dbraw/zinc/78/68/63/564786863.db2.gz VBCXFKKXFZFQJK-CYBMUJFWSA-N 1 0 384.567 2.548 20 0 GFADRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)Nc1ccc(I)cc1F ZINC000581081507 564787130 /nfs/dbraw/zinc/78/71/30/564787130.db2.gz AYURRCOSTNEOHM-RKDXNWHRSA-N 1 0 377.201 2.631 20 0 GFADRO O=S(=O)(NC[C@@H]1CC[N@@H+]1C1CCCCC1)c1ccc(Br)cn1 ZINC000528473773 564787991 /nfs/dbraw/zinc/78/79/91/564787991.db2.gz HXRHVIYAVZKBPZ-AWEZNQCLSA-N 1 0 388.331 2.529 20 0 GFADRO Cc1cccc(S(=O)(=O)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)c1Br ZINC000555405718 564792380 /nfs/dbraw/zinc/79/23/80/564792380.db2.gz QYHHMDCACIAEIO-INIZCTEOSA-N 1 0 387.343 2.864 20 0 GFADRO C[NH+](C)Cc1ccc(S(=O)(=O)N[C@@H](c2cccs2)C(C)(C)CO)cc1 ZINC000581219410 564793034 /nfs/dbraw/zinc/79/30/34/564793034.db2.gz KTYDXXOQWGPFMZ-KRWDZBQOSA-N 1 0 382.551 2.848 20 0 GFADRO Cc1cc(Br)cn2c(C[NH2+][C@H](CCO)C3CCOCC3)cnc12 ZINC000461399557 564796049 /nfs/dbraw/zinc/79/60/49/564796049.db2.gz KPZLKMNMASUSKH-MRXNPFEDSA-N 1 0 382.302 2.672 20 0 GFADRO C[C@@H](CN1CC[NH+](C)CC1)Nc1cc(C(F)(F)F)c(Br)cn1 ZINC000581307451 564796850 /nfs/dbraw/zinc/79/68/50/564796850.db2.gz QERFLQGIHZQITP-JTQLQIEISA-N 1 0 381.240 2.911 20 0 GFADRO Cc1c([C@H](C)[NH2+]CCS(=O)(=O)c2ccc(Br)cc2)cnn1C ZINC000492045986 564797524 /nfs/dbraw/zinc/79/75/24/564797524.db2.gz RLKWYRBBMDUZCN-NSHDSACASA-N 1 0 386.315 2.616 20 0 GFADRO OC[C@@]1([NH2+]C[C@H](O)c2ccc(F)c(Br)c2)COc2ccccc2C1 ZINC000528647549 564798464 /nfs/dbraw/zinc/79/84/64/564798464.db2.gz YSEUUESGASRKIW-FUHWJXTLSA-N 1 0 396.256 2.577 20 0 GFADRO O=c1ccc([C@H]2CCC[N@H+]2C[C@H](O)COc2ccc(Br)cc2)n[nH]1 ZINC000528787578 564805097 /nfs/dbraw/zinc/80/50/97/564805097.db2.gz AWOIRVKBEQSAAD-XJKSGUPXSA-N 1 0 394.269 2.522 20 0 GFADRO O=C(CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[S@]2=O)Nc1cccc(Br)c1 ZINC000528784991 564805576 /nfs/dbraw/zinc/80/55/76/564805576.db2.gz QJAGMMXGXLDAPV-GTQRCTGISA-N 1 0 385.327 2.763 20 0 GFADRO COCCOc1c(Cl)cc(S(=O)(=O)N2CC[C@@H]([NH3+])C[C@H]2C)cc1Cl ZINC000581496737 564805609 /nfs/dbraw/zinc/80/56/09/564805609.db2.gz WYFCOLOTZMCOQY-GHMZBOCLSA-N 1 0 397.324 2.519 20 0 GFADRO CN(CC(=O)Nc1ccccc1Cl)C(=O)C[N@@H+]1CCSC(C)(C)CC1 ZINC000555832360 564805928 /nfs/dbraw/zinc/80/59/28/564805928.db2.gz WPRVTAHIAWPNGA-UHFFFAOYSA-N 1 0 383.945 2.954 20 0 GFADRO O=C(NC[C@@H](O)COc1cccc(Cl)c1Cl)c1ccc2c[nH+]cn2c1 ZINC000555850377 564806277 /nfs/dbraw/zinc/80/62/77/564806277.db2.gz NJDWNFPGEYFHNY-CYBMUJFWSA-N 1 0 380.231 2.811 20 0 GFADRO O=C(c1ccc(Br)c(F)c1F)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000528798560 564806475 /nfs/dbraw/zinc/80/64/75/564806475.db2.gz RACDQXSZRYJACP-NSHDSACASA-N 1 0 389.240 2.522 20 0 GFADRO COc1cc(C(=O)N(C)CC2CC[NH+](C)CC2)cc(Br)c1OC ZINC000555870356 564806665 /nfs/dbraw/zinc/80/66/65/564806665.db2.gz UKFRIWBXDOMASS-UHFFFAOYSA-N 1 0 385.302 2.880 20 0 GFADRO C[C@@H]1CN(C(=O)NCCNc2ncc(C(F)(F)F)cc2Cl)[C@@H](C)C[NH2+]1 ZINC000581537556 564806866 /nfs/dbraw/zinc/80/68/66/564806866.db2.gz LHOOCTXINDDAQB-ZJUUUORDSA-N 1 0 379.814 2.558 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NCc2c(Cl)cccc2Cl)C[C@H]1C ZINC000556134005 564813314 /nfs/dbraw/zinc/81/33/14/564813314.db2.gz JABXBOIAAIKTLH-OLZOCXBDSA-N 1 0 386.323 2.941 20 0 GFADRO CS(=O)(=O)CC1CCC([NH2+]CCN2CCc3c(Cl)cccc3C2)CC1 ZINC000556178629 564813985 /nfs/dbraw/zinc/81/39/85/564813985.db2.gz KHSFYNPCIUIACG-UHFFFAOYSA-N 1 0 384.973 2.891 20 0 GFADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)N[C@@H]3CCc4sc(Cl)cc43)C2)CC1 ZINC000462059111 564814333 /nfs/dbraw/zinc/81/43/33/564814333.db2.gz IMBSNRQTMJQHJE-UKRRQHHQSA-N 1 0 382.961 2.810 20 0 GFADRO C[C@@H]1[NH2+]CCC[C@@H]1NS(=O)(=O)Cc1cc(Cl)ccc1Br ZINC000581823821 564818454 /nfs/dbraw/zinc/81/84/54/564818454.db2.gz HQLSMLGKVMLGBC-ZANVPECISA-N 1 0 381.723 2.662 20 0 GFADRO Cc1cc(C)c(CNS(=O)(=O)c2cc3c(cc2Cl)CCC(=O)N3)cn1 ZINC000556318466 564818586 /nfs/dbraw/zinc/81/85/86/564818586.db2.gz MWACRJUBPSVDPE-UHFFFAOYSA-N 1 0 379.869 2.715 20 0 GFADRO CC[NH+]1CCC(N(C)S(=O)(=O)CCc2ccccc2Br)CC1 ZINC000462092790 564818788 /nfs/dbraw/zinc/81/87/88/564818788.db2.gz YKGWBKFYFIMMIO-UHFFFAOYSA-N 1 0 389.359 2.738 20 0 GFADRO C[C@@H]1C[C@@H](NS(=O)(=O)CCc2ccccc2Br)C[N@@H+]1C1CC1 ZINC000462112689 564820483 /nfs/dbraw/zinc/82/04/83/564820483.db2.gz PDRQPRBWIOBYMY-TZMCWYRMSA-N 1 0 387.343 2.536 20 0 GFADRO CCc1nn(C)c(CC)c1C[NH2+]C[C@H](O)COc1cccc(Br)c1 ZINC000581879474 564822065 /nfs/dbraw/zinc/82/20/65/564822065.db2.gz LRTITZSVYMODRB-AWEZNQCLSA-N 1 0 396.329 2.837 20 0 GFADRO COC(=O)c1cc(NC(=O)NC[C@@H]2CCC[N@@H+]2C)c(C)cc1Br ZINC000494313526 564823933 /nfs/dbraw/zinc/82/39/33/564823933.db2.gz FGGMUXNZACLJAV-NSHDSACASA-N 1 0 384.274 2.760 20 0 GFADRO O=C(N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1)N1CC[NH+]2CCC1CC2 ZINC000556447567 564826292 /nfs/dbraw/zinc/82/62/92/564826292.db2.gz MCNZZIQDJMNYQJ-XJKSGUPXSA-N 1 0 382.277 2.934 20 0 GFADRO C[C@H]([NH2+][C@H](c1cncc(Br)c1)C1CC1)C(=O)NC[C@@H]1CCCO1 ZINC000556515077 564829135 /nfs/dbraw/zinc/82/91/35/564829135.db2.gz NXTVZEIBBOAYOS-UVBJJODRSA-N 1 0 382.302 2.569 20 0 GFADRO Cc1cc(Br)cn2cc(CNC(=O)N3CC[NH2+]C[C@@H]3C(C)C)nc12 ZINC000529326038 564829441 /nfs/dbraw/zinc/82/94/41/564829441.db2.gz UAMAUVHVCYDAOL-OAHLLOKOSA-N 1 0 394.317 2.545 20 0 GFADRO O=C(NCc1cc(F)c(Br)cc1F)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000529338290 564830502 /nfs/dbraw/zinc/83/05/02/564830502.db2.gz CHCGCKJEYWNFRI-JBLDHEPKSA-N 1 0 388.256 2.915 20 0 GFADRO CC1(C)CC[C@@H]1[NH2+]C[C@@H](O)COc1ccc(I)cc1 ZINC000556584029 564831015 /nfs/dbraw/zinc/83/10/15/564831015.db2.gz NQQHBAUHKRIUQW-OCCSQVGLSA-N 1 0 375.250 2.809 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)NCc2cc(F)c(Br)cc2F)C1 ZINC000529369478 564832221 /nfs/dbraw/zinc/83/22/21/564832221.db2.gz HXPWGVVLBMKZDW-ZJUUUORDSA-N 1 0 376.245 2.996 20 0 GFADRO C[C@@H](NC(=O)N1CCC[C@@H]1C[NH+]1CCCCC1)c1ncc(Br)cn1 ZINC000582166907 564833279 /nfs/dbraw/zinc/83/32/79/564833279.db2.gz QYTRNAXAAFZSJB-UKRRQHHQSA-N 1 0 396.333 2.960 20 0 GFADRO Cc1cc(Br)cc2c1[C@H]([NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1)CC2 ZINC000494605968 564834877 /nfs/dbraw/zinc/83/48/77/564834877.db2.gz VSJIHRMPGAPHRA-SWLSCSKDSA-N 1 0 387.343 2.616 20 0 GFADRO C[N@@H+]1CCC[C@@H]1[C@H]1COCCN1C(=O)c1ccc(Br)c(F)c1F ZINC000529422742 564835127 /nfs/dbraw/zinc/83/51/27/564835127.db2.gz GKVDTRWIUKAOOU-CHWSQXEVSA-N 1 0 389.240 2.663 20 0 GFADRO C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1C(=O)Nc1cc(N2CCOCC2)c(Br)cn1 ZINC000529469010 564836749 /nfs/dbraw/zinc/83/67/49/564836749.db2.gz BVGOETNIUJFXTB-OVZMXSCWSA-N 1 0 398.301 2.679 20 0 GFADRO C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1C(=O)Nc1cc(N2CCOCC2)c(Br)cn1 ZINC000529469007 564837097 /nfs/dbraw/zinc/83/70/97/564837097.db2.gz BVGOETNIUJFXTB-JBBSTSQOSA-N 1 0 398.301 2.679 20 0 GFADRO NC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1Cc1c[nH]nc1-c1ccc(Br)s1 ZINC000529555969 564841937 /nfs/dbraw/zinc/84/19/37/564841937.db2.gz MPSPJMGDPLGELC-ZSGNIPIJSA-N 1 0 395.326 2.987 20 0 GFADRO O=C1C[C@]2(CC[N@@H+](Cc3c[nH]nc3-c3ccc(Br)s3)C2)CN1 ZINC000529555324 564842020 /nfs/dbraw/zinc/84/20/20/564842020.db2.gz ODJNJENMSUFVOI-OAHLLOKOSA-N 1 0 381.299 2.613 20 0 GFADRO O=S(=O)(NC[C@H]1CCCN(Cc2ccsc2Br)C1)C1CC1 ZINC000529571182 564843240 /nfs/dbraw/zinc/84/32/40/564843240.db2.gz RDLUUYLURQMAPC-LLVKDONJSA-N 1 0 393.372 2.804 20 0 GFADRO COc1cc2c(cc1OC)CC[NH+](Cc1c(Br)cnn1C)CC2 ZINC000494962584 564844378 /nfs/dbraw/zinc/84/43/78/564844378.db2.gz VMHMFTZVLPSBQZ-UHFFFAOYSA-N 1 0 380.286 2.801 20 0 GFADRO Cc1cc(Br)c(S(=O)(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)s1 ZINC000462533686 564846276 /nfs/dbraw/zinc/84/62/76/564846276.db2.gz VFDNWQVWRRTUNI-NWDGAFQWSA-N 1 0 379.345 2.724 20 0 GFADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)NCC[N@H+](C)C2CCCCC2)c1 ZINC000462532285 564846325 /nfs/dbraw/zinc/84/63/25/564846325.db2.gz ZBZAPQMIVAAJQP-UHFFFAOYSA-N 1 0 388.917 2.669 20 0 GFADRO Cc1cc(Cl)ccc1S(=O)(=O)NCCNC1CC[NH+](C(C)(C)C)CC1 ZINC000556920672 564846945 /nfs/dbraw/zinc/84/69/45/564846945.db2.gz IMMBGVDXOZQNRF-UHFFFAOYSA-N 1 0 387.977 2.779 20 0 GFADRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)N1CCOc2ccc(Br)cc2C1 ZINC000556970987 564848690 /nfs/dbraw/zinc/84/86/90/564848690.db2.gz WRDQOSUQMCHRHX-JKSUJKDBSA-N 1 0 394.313 2.980 20 0 GFADRO C[C@H]1C[C@H]([NH3+])CCN1S(=O)(=O)c1cc(Cl)c(Br)cc1F ZINC000582494977 564849342 /nfs/dbraw/zinc/84/93/42/564849342.db2.gz RICHVUSEFMBAMF-JGVFFNPUSA-N 1 0 385.686 2.742 20 0 GFADRO Cc1nc(C(=O)N2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)c(Br)s1 ZINC000582532537 564851290 /nfs/dbraw/zinc/85/12/90/564851290.db2.gz OPICTPGMGKYIQD-IJLUTSLNSA-N 1 0 388.331 2.538 20 0 GFADRO COC(=O)c1cc(Br)cc(C(=O)N2CCC3(CCC[N@@H+]3C)CC2)c1 ZINC000462602472 564851683 /nfs/dbraw/zinc/85/16/83/564851683.db2.gz MFQSFUJTEVTRKD-UHFFFAOYSA-N 1 0 395.297 2.936 20 0 GFADRO C[C@@H](NC(=O)CC[N@@H+]1CCc2ccccc2C1)c1ncc(Br)cn1 ZINC000557071807 564853229 /nfs/dbraw/zinc/85/32/29/564853229.db2.gz QAQCIZWUVKXNRO-CYBMUJFWSA-N 1 0 389.297 2.865 20 0 GFADRO CC1([NH+]2CCOCC2)CCN(C(=O)c2cccc(F)c2Br)CC1 ZINC000529907929 564855903 /nfs/dbraw/zinc/85/59/03/564855903.db2.gz BQJWBCUAMJBEJT-UHFFFAOYSA-N 1 0 385.277 2.915 20 0 GFADRO CC1([NH+]2CCOCC2)CCN(C(=O)Cc2ccc(Br)s2)CC1 ZINC000529912677 564856175 /nfs/dbraw/zinc/85/61/75/564856175.db2.gz BQJLLHDLFJJYIR-UHFFFAOYSA-N 1 0 387.343 2.766 20 0 GFADRO COc1ccc(Cl)cc1CS(=O)(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000462719022 564857341 /nfs/dbraw/zinc/85/73/41/564857341.db2.gz LNCVGTZPPNURFB-HNNXBMFYSA-N 1 0 386.945 2.986 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1CCNc1ncnc2ccc(I)cc21 ZINC000462782814 564857911 /nfs/dbraw/zinc/85/79/11/564857911.db2.gz GIOPNCZIRLTXPG-GFCCVEGCSA-N 1 0 396.276 3.521 20 0 GFADRO O=C(N[C@@H]1CSc2ccc(Br)cc21)N[C@H]1C[NH2+]CCC1(F)F ZINC000557199714 564857867 /nfs/dbraw/zinc/85/78/67/564857867.db2.gz DXCWJQZWEJYORY-PWSUYJOCSA-N 1 0 392.269 2.892 20 0 GFADRO O=C(NC[C@@H]1C[NH2+]CCCO1)N1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000557241160 564858263 /nfs/dbraw/zinc/85/82/63/564858263.db2.gz SUHCABSCLKQNHC-KGLIPLIRSA-N 1 0 388.295 2.535 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1CCSc2ccc(Cl)cc21 ZINC000557210062 564858499 /nfs/dbraw/zinc/85/84/99/564858499.db2.gz RVESFVDAMDOJLA-HIFRSBDPSA-N 1 0 381.929 2.594 20 0 GFADRO CC[N@H+](CCNc1ncnc2ccc(I)cc21)C1CC1 ZINC000462798229 564858658 /nfs/dbraw/zinc/85/86/58/564858658.db2.gz KEHBGMGOUVQMAC-UHFFFAOYSA-N 1 0 382.249 3.131 20 0 GFADRO COC(=O)c1cc(C[NH2+]CC(=O)Nc2cccc(Br)c2)n(C)c1C ZINC000462790267 564859105 /nfs/dbraw/zinc/85/91/05/564859105.db2.gz IATTWNFFVOUYCW-UHFFFAOYSA-N 1 0 394.269 2.611 20 0 GFADRO CCOCC[C@H](O)C[NH2+][C@@H]1CCCN(c2ccc(Br)c(C)c2)C1=O ZINC000582721355 564859204 /nfs/dbraw/zinc/85/92/04/564859204.db2.gz DDDPQGBIOSMNIO-DOTOQJQBSA-N 1 0 399.329 2.630 20 0 GFADRO C[NH+](C)C[C@H](NC(=O)[C@@H]1CCCN(C(N)=O)C1)c1ccc(Cl)c(Cl)c1 ZINC000530031431 564860121 /nfs/dbraw/zinc/86/01/21/564860121.db2.gz JAAQRIIMAVRJER-DOMZBBRYSA-N 1 0 387.311 2.503 20 0 GFADRO C[C@@H]([NH2+][C@@H](C)CC(=O)N(C)C)c1ccc(Br)cc1OCCCO ZINC000462947262 564863751 /nfs/dbraw/zinc/86/37/51/564863751.db2.gz QUIGHHDQGVCDRJ-QWHCGFSZSA-N 1 0 387.318 2.728 20 0 GFADRO C[C@H](Cn1cc(Br)cn1)[NH2+][C@H]1CC(=O)N(c2ccccc2F)C1 ZINC000462945452 564863799 /nfs/dbraw/zinc/86/37/99/564863799.db2.gz MNBMENSQMQHMLM-YPMHNXCESA-N 1 0 381.249 2.568 20 0 GFADRO CC1=CC[N@H+](CCNC(=O)Cc2noc3ccc(Br)cc32)CC1 ZINC000582841507 564864488 /nfs/dbraw/zinc/86/44/88/564864488.db2.gz KVUPARJAWXUALT-UHFFFAOYSA-N 1 0 378.270 2.901 20 0 GFADRO O[C@@H](C[NH2+]CC1(c2ccc(Br)cc2)CCCC1)CN1CCOCC1 ZINC000582840836 564864632 /nfs/dbraw/zinc/86/46/32/564864632.db2.gz NDNFJRNCPLLHCU-SFHVURJKSA-N 1 0 397.357 2.544 20 0 GFADRO CSC1(C[NH2+]Cc2cn(-c3ccc(F)cc3Cl)nn2)CC[NH+](C)CC1 ZINC000557529816 564866359 /nfs/dbraw/zinc/86/63/59/564866359.db2.gz NAUOVCNUQDYNJN-UHFFFAOYSA-N 1 0 383.924 2.977 20 0 GFADRO COc1cc(C[N@@H+]2CCC[C@H](CNS(=O)(=O)C3CC3)C2)ccc1SC ZINC000582929020 564868118 /nfs/dbraw/zinc/86/81/18/564868118.db2.gz WWPMTNAZOGPJKH-OAHLLOKOSA-N 1 0 384.567 2.711 20 0 GFADRO C[C@@H]1C[N@H+](C)C[C@H]1c1nc(COc2ccc(I)cc2)no1 ZINC000463057140 564868291 /nfs/dbraw/zinc/86/82/91/564868291.db2.gz VPMSUMAUDYJVSH-ZWNOBZJWSA-N 1 0 399.232 2.918 20 0 GFADRO CS(=O)(=O)N(CC(F)(F)F)C1CC[NH+]([C@H]2C[C@H]2c2ccccc2)CC1 ZINC000463078937 564869066 /nfs/dbraw/zinc/86/90/66/564869066.db2.gz VGFNZFSKZFQCIM-HOTGVXAUSA-N 1 0 376.444 2.831 20 0 GFADRO Cc1nc(NC(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)ccc1I ZINC000463146023 564870687 /nfs/dbraw/zinc/87/06/87/564870687.db2.gz SANNMIPLJGCOHE-RTXFEEFZSA-N 1 0 385.249 2.854 20 0 GFADRO CC(C)[C@H]1C[NH2+]CCN1Cc1nc(Cc2cccc(Br)c2)no1 ZINC000530230001 564873369 /nfs/dbraw/zinc/87/33/69/564873369.db2.gz WIPSBKVEFIOCQS-OAHLLOKOSA-N 1 0 379.302 2.853 20 0 GFADRO COc1ccc(Br)cc1NC(=O)N1C[C@@H]([NH+](C)C)[C@@H](SC)C1 ZINC000497675536 564873786 /nfs/dbraw/zinc/87/37/86/564873786.db2.gz FXCRXPZJOXVDIU-OCCSQVGLSA-N 1 0 388.331 2.967 20 0 GFADRO CO[C@@H]1CCN(C(=O)c2ccc(Br)cc2OC(C)C)[C@@H](C[NH3+])C1 ZINC000583079392 564874427 /nfs/dbraw/zinc/87/44/27/564874427.db2.gz YVMOJLQYDXVUJX-ZIAGYGMSSA-N 1 0 385.302 2.815 20 0 GFADRO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCc1cc(Br)cc2c1OCC2 ZINC000463254548 564874703 /nfs/dbraw/zinc/87/47/03/564874703.db2.gz FRQKHPFVKSOUFE-LRDDRELGSA-N 1 0 394.313 2.762 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCN(C2CC2)C1=O)c1ccc(Br)cc1OCCCO ZINC000463358580 564876559 /nfs/dbraw/zinc/87/65/59/564876559.db2.gz FIXFYHVNKSSPTP-BLLLJJGKSA-N 1 0 397.313 2.624 20 0 GFADRO C[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)N1CC[N@H+](C)CC[C@H]1C ZINC000583159933 564878397 /nfs/dbraw/zinc/87/83/97/564878397.db2.gz ICARURGKZQEJQP-QWHCGFSZSA-N 1 0 386.323 2.593 20 0 GFADRO CC[C@H](C)Sc1ccc(NC(=O)C(=O)NC2C[NH2+]C2)c(C(F)(F)F)c1 ZINC000583191588 564880631 /nfs/dbraw/zinc/88/06/31/564880631.db2.gz FEBFITWMYJMTKW-VIFPVBQESA-N 1 0 375.416 2.623 20 0 GFADRO CCCC[N@H+](C)C[C@H](C)NC(=O)C(=O)Nc1ccc(F)cc1Br ZINC000583227037 564881368 /nfs/dbraw/zinc/88/13/68/564881368.db2.gz ORELQOZHCFMHJY-NSHDSACASA-N 1 0 388.281 2.763 20 0 GFADRO [NH3+]Cc1cc(C(=O)NC[C@H]2CCN(c3cccc(Br)c3)C2)ccn1 ZINC000463479529 564882737 /nfs/dbraw/zinc/88/27/37/564882737.db2.gz SEAUGHOVEKKJFU-CYBMUJFWSA-N 1 0 389.297 2.559 20 0 GFADRO CSc1ccc(S(=O)(=O)N2CCC([N@H+](C)C[C@@H](C)O)CC2)cc1Cl ZINC000463524825 564883660 /nfs/dbraw/zinc/88/36/60/564883660.db2.gz JCQWTWXGGNOUNS-GFCCVEGCSA-N 1 0 392.974 2.528 20 0 GFADRO CCCN1CCN(C(=O)C(=O)Nc2cc(Cl)ccc2C(F)(F)F)CC1 ZINC000498071760 564888020 /nfs/dbraw/zinc/88/80/20/564888020.db2.gz MWWPBVAIQMLTIY-UHFFFAOYSA-N 1 0 377.794 2.852 20 0 GFADRO O=C([C@H]1CCN(c2cc(Cl)ccc2Cl)C1=O)N1CCC2(CC[NH2+]2)CC1 ZINC000583375664 564888457 /nfs/dbraw/zinc/88/84/57/564888457.db2.gz MGEMUGBVFUMJLP-CYBMUJFWSA-N 1 0 382.291 2.701 20 0 GFADRO COc1nc(C)c(Br)cc1C(=O)N1CC[N@@H+]([C@@H]2C[C@@H]2C)C[C@@H](C)C1 ZINC000558020470 564889192 /nfs/dbraw/zinc/88/91/92/564889192.db2.gz AZFRJMYAFMCSMX-BFQNTYOBSA-N 1 0 396.329 2.963 20 0 GFADRO CCN(CC)S(=O)(=O)c1cc(NC(=O)N[C@H](C)C[C@H](C)[NH3+])ccc1Cl ZINC000583381528 564889484 /nfs/dbraw/zinc/88/94/84/564889484.db2.gz OMEAZJHHQCDXEN-NWDGAFQWSA-N 1 0 390.937 2.618 20 0 GFADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)COc2cc(Cl)cc(Cl)c2)CC1 ZINC000463814646 564890704 /nfs/dbraw/zinc/89/07/04/564890704.db2.gz OEQXISUILMTYPR-AWEZNQCLSA-N 1 0 388.339 2.762 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H]2CN(Cc3nc(Cc4cccc(Br)c4)no3)C[C@@H]21 ZINC000583441302 564892288 /nfs/dbraw/zinc/89/22/88/564892288.db2.gz VRTFLWWISANQDP-VNQPRFMTSA-N 1 0 391.313 2.982 20 0 GFADRO Cc1nc(C)c(S(=O)(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)s1 ZINC000530716890 564892409 /nfs/dbraw/zinc/89/24/09/564892409.db2.gz IYKGCNUFDYDDNZ-CXAGYDPISA-N 1 0 379.551 2.949 20 0 GFADRO COc1cc[nH+]c(N2CCN(C(=O)c3ccc(F)c(Br)c3)CC2)c1 ZINC000463868548 564892689 /nfs/dbraw/zinc/89/26/89/564892689.db2.gz FAQUZCAVYIOMQP-UHFFFAOYSA-N 1 0 394.244 2.954 20 0 GFADRO Cc1cc(N2CCC[C@H]([NH2+][C@@H]3CN(C)C[C@H]3C)C2=O)ccc1Br ZINC000464074546 564895394 /nfs/dbraw/zinc/89/53/94/564895394.db2.gz VJJWFIDZPLIQGL-XOKHGSTOSA-N 1 0 380.330 2.793 20 0 GFADRO CC[NH+]1C[C@@H](C)N(C(=O)CSc2nnc(-c3cccs3)n2C)[C@H](C)C1 ZINC000558194451 564895659 /nfs/dbraw/zinc/89/56/59/564895659.db2.gz WCEORPARXCSMGK-CHWSQXEVSA-N 1 0 379.555 2.577 20 0 GFADRO C[C@H](CC(N)=O)[NH2+]Cc1cc(Br)ccc1OCc1ccccn1 ZINC000498349893 564896728 /nfs/dbraw/zinc/89/67/28/564896728.db2.gz MDKKRDUMVCVQIQ-GFCCVEGCSA-N 1 0 378.270 2.777 20 0 GFADRO C[C@H]1c2cc(Cl)c(Cl)cc2CCN1C(=O)C(=O)N1CCC[C@H](C[NH3+])C1 ZINC000583625204 564899535 /nfs/dbraw/zinc/89/95/35/564899535.db2.gz TVDUBRKZYDYRTE-NWDGAFQWSA-N 1 0 384.307 2.636 20 0 GFADRO CSc1ccc(C[NH2+]CCNS(=O)(=O)c2ccc(F)cc2F)s1 ZINC000558487380 564903476 /nfs/dbraw/zinc/90/34/76/564903476.db2.gz YJSQXOIGWZWWDO-UHFFFAOYSA-N 1 0 378.491 2.816 20 0 GFADRO CC[NH+](CC)CCS(=O)(=O)N[C@H](C)Cc1ccc(Br)cc1 ZINC000558482324 564903630 /nfs/dbraw/zinc/90/36/30/564903630.db2.gz WURMMKHNWQCOBA-CYBMUJFWSA-N 1 0 377.348 2.641 20 0 GFADRO CC[NH+](CC)C[C@H]1CCCC[C@@H]1NC(=O)NCc1n[nH]cc1Br ZINC000531190913 564903791 /nfs/dbraw/zinc/90/37/91/564903791.db2.gz YBAYPQVXQOIAKU-OCCSQVGLSA-N 1 0 386.338 2.872 20 0 GFADRO CC[NH+](CC)C[C@@H](C)NC(=O)[C@@H]1CSCN1C(=O)c1ccc(Cl)cc1 ZINC000498646516 564904579 /nfs/dbraw/zinc/90/45/79/564904579.db2.gz NEVHOLRKQYCCAG-CJNGLKHVSA-N 1 0 383.945 2.702 20 0 GFADRO COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)N[C@H](C)C[N@H+](C)C(C)C ZINC000558544258 564905211 /nfs/dbraw/zinc/90/52/11/564905211.db2.gz AUSASSNHHGQJLH-SNVBAGLBSA-N 1 0 376.284 2.785 20 0 GFADRO CC1(C)[C@H]([NH2+]Cc2nnnn2-c2ccccc2Br)[C@@H]2CCCO[C@H]21 ZINC000583793817 564907991 /nfs/dbraw/zinc/90/79/91/564907991.db2.gz VZLWOTGVNNLJNV-IUIKQTSFSA-N 1 0 392.301 2.718 20 0 GFADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCc2cc(Br)ccc21 ZINC000583813802 564908738 /nfs/dbraw/zinc/90/87/38/564908738.db2.gz HNBSVTRUHBDKIA-RDJZCZTQSA-N 1 0 381.314 2.706 20 0 GFADRO CSc1nnc(CNC(=O)N[C@]2(C)CC[N@H+](Cc3ccccc3)C2)s1 ZINC000583875934 564910648 /nfs/dbraw/zinc/91/06/48/564910648.db2.gz ZBYOTTQKKHSSKI-QGZVFWFLSA-N 1 0 377.539 2.724 20 0 GFADRO Cn1nnc2cc(C[NH2+]Cc3cc(Br)c4c(c3)OCCO4)ccc21 ZINC000531698833 564917937 /nfs/dbraw/zinc/91/79/37/564917937.db2.gz XJSNHKHIRSTOEN-UHFFFAOYSA-N 1 0 389.253 2.792 20 0 GFADRO O=C(c1cc(F)ccc1I)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000584047829 564918161 /nfs/dbraw/zinc/91/81/61/564918161.db2.gz GUHMBRFMPGNMNG-HNNXBMFYSA-N 1 0 388.224 2.646 20 0 GFADRO C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NC1(CCO)CC[NH+](C)CC1 ZINC000499127380 564919252 /nfs/dbraw/zinc/91/92/52/564919252.db2.gz PRLFINDREYWHNB-LBPRGKRZSA-N 1 0 375.296 2.724 20 0 GFADRO C[NH+]1CCC(CCO)(NC(=O)[C@@H]2C[C@@H]2c2ccc(Br)cc2)CC1 ZINC000499123512 564919491 /nfs/dbraw/zinc/91/94/91/564919491.db2.gz RWLWSOHVHSNFQJ-HZPDHXFCSA-N 1 0 381.314 2.516 20 0 GFADRO NC(=O)CC[C@H]1CCC[N@H+](CC(=O)NCCc2cccc(Cl)c2Cl)C1 ZINC000531898465 564923931 /nfs/dbraw/zinc/92/39/31/564923931.db2.gz FFVMIBNDTGGDEB-CYBMUJFWSA-N 1 0 386.323 2.630 20 0 GFADRO C[C@](CO)([NH2+]C[C@@H](O)Cc1ccc(F)cc1)c1ccc(Br)cc1 ZINC000559242959 564927383 /nfs/dbraw/zinc/92/73/83/564927383.db2.gz FXQGMEURJVUXHR-ZWKOTPCHSA-N 1 0 382.273 2.989 20 0 GFADRO CN(CC[NH2+]C[C@@H](O)COc1c(Cl)cccc1Cl)CC(F)(F)F ZINC000584286653 564928785 /nfs/dbraw/zinc/92/87/85/564928785.db2.gz BCTVMYNMCZQRBE-SNVBAGLBSA-N 1 0 375.218 2.817 20 0 GFADRO CCN(C[C@H]1CCC[N@@H+]1CC)C(=O)c1cncc(I)c1 ZINC000559358692 564931298 /nfs/dbraw/zinc/93/12/98/564931298.db2.gz JMQUQZKCPMNXAG-CQSZACIVSA-N 1 0 387.265 2.633 20 0 GFADRO CC[NH+]1CCC(CNS(=O)(=O)c2cc(Br)ccc2F)CC1 ZINC000559374615 564931423 /nfs/dbraw/zinc/93/14/23/564931423.db2.gz GDPQVKYOARKVML-UHFFFAOYSA-N 1 0 379.295 2.598 20 0 GFADRO O=C(NCC[C@@H](O)C(F)(F)F)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000499613886 564932125 /nfs/dbraw/zinc/93/21/25/564932125.db2.gz FGMNGABJQHGRDZ-TZMCWYRMSA-N 1 0 379.448 2.573 20 0 GFADRO C[C@H](CNC(=O)NCC1CC[NH+](C)CC1)Oc1cccc(Br)c1 ZINC000465860410 564932920 /nfs/dbraw/zinc/93/29/20/564932920.db2.gz LMZMJSVGCFTSFW-CYBMUJFWSA-N 1 0 384.318 2.857 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)N[C@@H]2CCN(c3ccccc3Br)C2)CC[N@@H+]1C ZINC000465893606 564933499 /nfs/dbraw/zinc/93/34/99/564933499.db2.gz TZULAEJSFHKGMB-RBSFLKMASA-N 1 0 395.345 2.810 20 0 GFADRO C[C@@H](CNC(=O)Nc1ccc(NS(C)(=O)=O)c(Cl)c1)C[NH+]1CCCC1 ZINC000532311015 564933965 /nfs/dbraw/zinc/93/39/65/564933965.db2.gz PTMOURDNPGGQOV-LBPRGKRZSA-N 1 0 388.921 2.565 20 0 GFADRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1cc(=O)c2cc(Br)ccc2[nH]1 ZINC000532333981 564934802 /nfs/dbraw/zinc/93/48/02/564934802.db2.gz NFWGSTHGFAHZGO-HWPZZCPQSA-N 1 0 390.281 2.503 20 0 GFADRO C[C@H](CNC(=O)N1CC[N@H+](C)CC[C@H]1C)Oc1cccc(Br)c1 ZINC000466304938 564937536 /nfs/dbraw/zinc/93/75/36/564937536.db2.gz DWWXXULXENILBU-ZIAGYGMSSA-N 1 0 384.318 2.952 20 0 GFADRO COCC[N@@H+]1CC[C@H](NC(=O)C2(Cc3ccccc3Br)CC2)C1 ZINC000559643106 564938204 /nfs/dbraw/zinc/93/82/04/564938204.db2.gz XNQSCPYNFKPZQQ-HNNXBMFYSA-N 1 0 381.314 2.609 20 0 GFADRO C[C@H](CNC(=O)N1CC[C@H]([NH+]2CC=CC2)C1)Oc1ccc(Br)cc1 ZINC000466375504 564939274 /nfs/dbraw/zinc/93/92/74/564939274.db2.gz UICKCGMTTXKUCS-ZBFHGGJFSA-N 1 0 394.313 2.872 20 0 GFADRO COC1CC[NH+](C(C)(C)CNC(=O)Nc2cc(Br)ccn2)CC1 ZINC000499899293 564939727 /nfs/dbraw/zinc/93/97/27/564939727.db2.gz WEWGIPLEYLDHMD-UHFFFAOYSA-N 1 0 385.306 2.855 20 0 GFADRO COCC(=O)N1CCC([NH2+][C@@H]2CCCOc3c(Br)cccc32)CC1 ZINC000532511694 564940145 /nfs/dbraw/zinc/94/01/45/564940145.db2.gz UUJVFUPLTATATH-MRXNPFEDSA-N 1 0 397.313 2.890 20 0 GFADRO C[C@H]1CC[N@H+](C)CCN1C(=O)C(=O)Nc1cc(Cl)ccc1C(F)(F)F ZINC000500030046 564943266 /nfs/dbraw/zinc/94/32/66/564943266.db2.gz BIFYJJJRVRPDPO-JTQLQIEISA-N 1 0 377.794 2.850 20 0 GFADRO CC[NH+]1CCN(c2ccc(CNC(=O)c3sccc3SC)cn2)CC1 ZINC000500067144 564944050 /nfs/dbraw/zinc/94/40/50/564944050.db2.gz RKVIPFFXGQPPFN-UHFFFAOYSA-N 1 0 376.551 2.937 20 0 GFADRO Cn1ccnc(N2CC[NH+](CCCSc3ccccc3Cl)CC2)c1=O ZINC000466709084 564945953 /nfs/dbraw/zinc/94/59/53/564945953.db2.gz XIYGWDDJDYQBJN-UHFFFAOYSA-N 1 0 378.929 2.738 20 0 GFADRO CN(C)[C@@]1(C[NH2+]Cc2cccc(I)c2)CCSC1 ZINC000560077807 564948790 /nfs/dbraw/zinc/94/87/90/564948790.db2.gz ODVBCFFPXPZHHU-CQSZACIVSA-N 1 0 376.307 2.818 20 0 GFADRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N1CCc2ccc(Br)cc2C1 ZINC000560105198 564949951 /nfs/dbraw/zinc/94/99/51/564949951.db2.gz KXQKXKOUVNHUFA-YVEFUNNKSA-N 1 0 378.314 3.000 20 0 GFADRO Cc1cccc(C(=O)N[C@H]2C[N@H+](C3CC3)C[C@@H]2C)c1I ZINC000467022624 564953356 /nfs/dbraw/zinc/95/33/56/564953356.db2.gz JFESPYDWWAWLNO-FZMZJTMJSA-N 1 0 384.261 2.812 20 0 GFADRO CN(C(=O)COc1ccsc1Cl)C1CC[NH+](CCn2cccn2)CC1 ZINC000560230766 564954168 /nfs/dbraw/zinc/95/41/68/564954168.db2.gz KNMVKCWPJAPYJM-UHFFFAOYSA-N 1 0 382.917 2.600 20 0 GFADRO Cc1cc(C[NH2+][C@H]2CCC[C@H]2CNS(C)(=O)=O)ccc1Br ZINC000500492843 564955021 /nfs/dbraw/zinc/95/50/21/564955021.db2.gz BWKCHVINWZYKDD-ZFWWWQNUSA-N 1 0 375.332 2.565 20 0 GFADRO O=S(=O)(NC[C@H]1CCC[N@H+](Cc2cccs2)C1)c1cncc(Cl)c1 ZINC000533178700 564956726 /nfs/dbraw/zinc/95/67/26/564956726.db2.gz ZNTFUFDKIRHNHD-CYBMUJFWSA-N 1 0 385.942 2.987 20 0 GFADRO CCSc1nnc(NC(=O)N[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)s1 ZINC000467216048 564958651 /nfs/dbraw/zinc/95/86/51/564958651.db2.gz JPIAJXGEKAYMNH-GXTWGEPZSA-N 1 0 377.539 3.435 20 0 GFADRO CNS(=O)(=O)[C@H]1CCC[N@H+](CC/C=C/c2ccc(Br)cc2)C1 ZINC000533382107 564961478 /nfs/dbraw/zinc/96/14/78/564961478.db2.gz BAGZBCBRMMAOPR-AUYOJAJCSA-N 1 0 387.343 2.866 20 0 GFADRO CC1(C)[C@H]([NH2+]CCCNS(=O)(=O)c2ccccc2Cl)[C@H]2CCCO[C@H]21 ZINC000467408702 564962631 /nfs/dbraw/zinc/96/26/31/564962631.db2.gz YHXGKYTUDBIDRP-KBRIMQKVSA-N 1 0 386.945 2.802 20 0 GFADRO NC(=O)[C@@H]([NH2+][C@@H]1CCN(c2cccc(Br)c2)C1)c1ccc(F)cc1 ZINC000467642042 564969707 /nfs/dbraw/zinc/96/97/07/564969707.db2.gz WLVZOEHNCLMSER-WBVHZDCISA-N 1 0 392.272 2.983 20 0 GFADRO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)c2cc(F)cc(Br)c2)CC1 ZINC000501109770 564970939 /nfs/dbraw/zinc/97/09/39/564970939.db2.gz TVUYLNXMRPQNRD-QGZVFWFLSA-N 1 0 398.320 2.830 20 0 GFADRO [NH3+]C[C@@H]1CCCN(C(=O)Nc2ccnn2Cc2ccccc2Br)C1 ZINC000561015417 564981146 /nfs/dbraw/zinc/98/11/46/564981146.db2.gz SVPJOUQPQKJZDB-ZDUSSCGKSA-N 1 0 392.301 2.897 20 0 GFADRO COCC[N@H+](C)CCNC(=O)N(C)C[C@H](C)Oc1ccc(Cl)c(Cl)c1 ZINC000468512790 564984850 /nfs/dbraw/zinc/98/48/50/564984850.db2.gz YBYGUYJFIQWRDV-ZDUSSCGKSA-N 1 0 392.327 2.980 20 0 GFADRO C[C@H]1C[C@H](NC(=O)c2cn(-c3ccc(Br)cc3)cn2)C[N@@H+]1C1CC1 ZINC000534416488 564988468 /nfs/dbraw/zinc/98/84/68/564988468.db2.gz KWIWSQJEXOXNPA-JSGCOSHPSA-N 1 0 389.297 2.990 20 0 GFADRO CCC[N@H+](C)[C@H](CNc1ncccc1S(N)(=O)=O)c1ccc(Cl)cc1 ZINC000561340837 564991719 /nfs/dbraw/zinc/99/17/19/564991719.db2.gz YNERMBYYNXBNPA-OAHLLOKOSA-N 1 0 382.917 2.877 20 0 GFADRO O=C([C@@H]1C[N@@H+]2CCN1CCC2)N1CCC[C@@H]1c1cc(F)cc(Br)c1 ZINC000468792644 564994535 /nfs/dbraw/zinc/99/45/35/564994535.db2.gz BNHIXAKXVMKYAZ-SJORKVTESA-N 1 0 396.304 2.642 20 0 GFADRO Cc1c(Br)cc(C(=O)N2CC[NH+](CCC(C)(C)C)CC2)c(=O)n1C ZINC000469021374 565002692 /nfs/dbraw/zinc/00/26/92/565002692.db2.gz QLZKMOOIWJZEJS-UHFFFAOYSA-N 1 0 398.345 2.650 20 0 GFADRO O[C@H](C[NH2+][C@@H]1CCC12CCC2)COc1ccc(I)cc1 ZINC000502701396 565003635 /nfs/dbraw/zinc/00/36/35/565003635.db2.gz UASJKOASBSDPDX-UKRRQHHQSA-N 1 0 387.261 2.953 20 0 GFADRO COc1c(C)cnc(CN(C)C(=O)c2cc[nH]c(=O)c2Br)c1C ZINC000469111137 565006138 /nfs/dbraw/zinc/00/61/38/565006138.db2.gz VYSABQKYOHFMKV-UHFFFAOYSA-N 1 0 380.242 2.842 20 0 GFADRO CS(=O)(=O)[C@H]1CCC[N@H+](C[C@H](O)Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000502823087 565006233 /nfs/dbraw/zinc/00/62/33/565006233.db2.gz FABLUPRWCUFSFD-CVEARBPZSA-N 1 0 379.444 2.508 20 0 GFADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1c(F)ccc(Br)c1F ZINC000469131119 565006794 /nfs/dbraw/zinc/00/67/94/565006794.db2.gz XGYNWCUAGOOJES-SNVBAGLBSA-N 1 0 377.229 2.568 20 0 GFADRO CC[C@@H](C(=O)N[C@H](CO)c1ccc(Br)c(F)c1)[NH+](CC)CC ZINC000561776897 565008935 /nfs/dbraw/zinc/00/89/35/565008935.db2.gz SOAHNLKLSDBVRS-CABCVRRESA-N 1 0 375.282 2.858 20 0 GFADRO CC(C)[C@H](Oc1ccccc1Br)C(=O)NCCNc1cc[nH+]cc1 ZINC000535258065 565009184 /nfs/dbraw/zinc/00/91/84/565009184.db2.gz MFCHKURYQDRHAP-KRWDZBQOSA-N 1 0 392.297 2.898 20 0 GFADRO C[NH+](C)[C@]1(CNC(=O)N2CC[C@@H](Oc3cccc(Cl)c3)C2)CCSC1 ZINC000535361913 565011750 /nfs/dbraw/zinc/01/17/50/565011750.db2.gz KULAAIYZQFENDT-AEFFLSMTSA-N 1 0 383.945 2.940 20 0 GFADRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(S(C)(=O)=O)s2)[C@H]1Oc1ccccc1 ZINC000469303505 565013169 /nfs/dbraw/zinc/01/31/69/565013169.db2.gz XUCHPJPHMUYICW-LZLYRXPVSA-N 1 0 381.519 2.866 20 0 GFADRO COC(=O)[C@]1(C)C[N@@H+]([C@H](C)C(=O)Nc2ccc(Br)cc2)C[C@H]1C ZINC000503214769 565013557 /nfs/dbraw/zinc/01/35/57/565013557.db2.gz CIWUMIFXCBKRFQ-PSTGCABASA-N 1 0 383.286 2.907 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)CCC[N@@H+](C)CCOCCO ZINC000503231693 565015328 /nfs/dbraw/zinc/01/53/28/565015328.db2.gz LZQYNHNXWGSNJX-UHFFFAOYSA-N 1 0 387.318 2.725 20 0 GFADRO CS[C@H]1CN(C(=O)c2cnn(-c3ccccc3Cl)c2C)C[C@H]1[NH+](C)C ZINC000535541749 565015680 /nfs/dbraw/zinc/01/56/80/565015680.db2.gz HOIMNMOOHCPLBZ-SJORKVTESA-N 1 0 378.929 2.952 20 0 GFADRO Cc1csc(C(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)c1I ZINC000469377871 565015800 /nfs/dbraw/zinc/01/58/00/565015800.db2.gz XEVZAWBMNQPVHF-NXEZZACHSA-N 1 0 378.279 2.874 20 0 GFADRO CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3cn4ccc(Br)cc4n3)[C@@H]2C1 ZINC000562078636 565017172 /nfs/dbraw/zinc/01/71/72/565017172.db2.gz QHKGKKXOJCBNJW-IAOVAPTHSA-N 1 0 391.313 2.833 20 0 GFADRO O=S(=O)(NCCC[NH2+][C@@H]1CC[C@H]1C1CC1)c1ccccc1Br ZINC000562066174 565017267 /nfs/dbraw/zinc/01/72/67/565017267.db2.gz ZOIXWOCFEIKWHO-DZGCQCFKSA-N 1 0 387.343 2.896 20 0 GFADRO C[NH+](C)[C@]1(CNC(=O)c2ccc(Br)c3c2OCCC3)CCSC1 ZINC000469536853 565020098 /nfs/dbraw/zinc/02/00/98/565020098.db2.gz CNOPOIGKPJNDDH-KRWDZBQOSA-N 1 0 399.354 2.941 20 0 GFADRO Cc1ncc(C[N@@H+]2CCC[C@H](C(=O)Nc3ccc(Br)cn3)C2)cn1 ZINC000535795556 565021076 /nfs/dbraw/zinc/02/10/76/565021076.db2.gz BBAROENIQKRQIJ-AWEZNQCLSA-N 1 0 390.285 2.793 20 0 GFADRO Cc1cccc(NC(=O)C(=O)N2CC[NH+](C3CCCC3)CC2)c1Br ZINC000469586988 565021451 /nfs/dbraw/zinc/02/14/51/565021451.db2.gz MWXSINAAZMSMBI-UHFFFAOYSA-N 1 0 394.313 2.783 20 0 GFADRO C[C@@H]1CN(C(=O)C2(c3ccc(I)cc3)CC2)[C@@H](C)C[N@@H+]1C ZINC000503512827 565021660 /nfs/dbraw/zinc/02/16/60/565021660.db2.gz JSCKHECPVKKFKM-OLZOCXBDSA-N 1 0 398.288 2.874 20 0 GFADRO Cc1c(Br)cc(C(=O)NC[C@@H]2CCCC[N@H+]2CC(C)C)c(=O)n1C ZINC000469669983 565023912 /nfs/dbraw/zinc/02/39/12/565023912.db2.gz KBEKRBXSKCDNII-AWEZNQCLSA-N 1 0 398.345 2.697 20 0 GFADRO CC[NH+]1CCN([C@H]2CC[N@H+](CCOc3ccc(Br)cc3)C2)CC1 ZINC000503617106 565025050 /nfs/dbraw/zinc/02/50/50/565025050.db2.gz KWXXKMBDPDZAFN-KRWDZBQOSA-N 1 0 382.346 2.540 20 0 GFADRO CC[C@H](CNC(=O)CN1CC[NH+](CC)CC1)Cc1cccc(Br)c1 ZINC000469853654 565030001 /nfs/dbraw/zinc/03/00/01/565030001.db2.gz CMWPPJMUKWAEFX-INIZCTEOSA-N 1 0 396.373 2.772 20 0 GFADRO C[C@H]1OCC[C@@H]1C(=O)Nc1cc(Br)ccc1N1CC[NH+](C)CC1 ZINC000536143543 565030341 /nfs/dbraw/zinc/03/03/41/565030341.db2.gz HELNDSWSESYCFT-OCCSQVGLSA-N 1 0 382.302 2.564 20 0 GFADRO CO[C@H]1CCN(Cc2ccc(OC(F)F)c(Br)c2)[C@@H](C[NH3+])C1 ZINC000469882703 565031231 /nfs/dbraw/zinc/03/12/31/565031231.db2.gz VTNPWHADDWGXKU-NEPJUHHUSA-N 1 0 379.245 2.989 20 0 GFADRO CO[C@H]1CCN(Cc2cn(-c3ccc(Br)cc3)nc2C)[C@@H](C[NH3+])C1 ZINC000469885721 565031290 /nfs/dbraw/zinc/03/12/90/565031290.db2.gz UXWRZNOSKAUEEG-MSOLQXFVSA-N 1 0 393.329 2.881 20 0 GFADRO COC(=O)c1cc(Cl)ccc1S(=O)(=O)N(C)CC[NH+](C(C)C)C(C)C ZINC000504011092 565032546 /nfs/dbraw/zinc/03/25/46/565032546.db2.gz YIOISGJQAKJTAP-UHFFFAOYSA-N 1 0 390.933 2.866 20 0 GFADRO O=C(NCCC[NH+]1CCCCC1)N[C@H](CO)c1ccc(Br)cc1 ZINC000504078863 565034738 /nfs/dbraw/zinc/03/47/38/565034738.db2.gz NBPQJURKUHBVAD-MRXNPFEDSA-N 1 0 384.318 2.658 20 0 GFADRO Cc1ccc(CC(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)cc1Br ZINC000470081406 565037359 /nfs/dbraw/zinc/03/73/59/565037359.db2.gz MCYUJQMBJRFZAR-OAHLLOKOSA-N 1 0 383.330 2.917 20 0 GFADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@H](C)Cc1ccccc1Br ZINC000470178115 565040363 /nfs/dbraw/zinc/04/03/63/565040363.db2.gz XAQMUMYIWHOEDW-ZBFHGGJFSA-N 1 0 398.345 2.790 20 0 GFADRO C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+][C@@H]1CCC[C@@H]1CNS(C)(=O)=O ZINC000504538891 565041304 /nfs/dbraw/zinc/04/13/04/565041304.db2.gz ATYWPALZORUPFS-XNRPHZJLSA-N 1 0 378.460 2.944 20 0 GFADRO C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)c1cc(=O)[nH]c2ccc(Br)cc21 ZINC000536589693 565042047 /nfs/dbraw/zinc/04/20/47/565042047.db2.gz QKROQGNMSUCFOM-WDEREUQCSA-N 1 0 378.270 2.868 20 0 GFADRO O=C(CC[N@H+]1CCSC[C@@H]1CCO)Nc1ccc(Br)cc1F ZINC000470367109 565043984 /nfs/dbraw/zinc/04/39/84/565043984.db2.gz LFJXLBZHYWRASV-LBPRGKRZSA-N 1 0 391.306 2.717 20 0 GFADRO CC[NH2+]CCCNC(=O)C(=O)N1CCC[C@H]1c1ccc(Br)c(C)c1 ZINC000562831641 565044848 /nfs/dbraw/zinc/04/48/48/565044848.db2.gz CKYKRCZAGFWMNJ-INIZCTEOSA-N 1 0 396.329 2.537 20 0 GFADRO COc1ccc(C(=O)N2CC[N@@H+](C3CCOCC3)C[C@H]2C)cc1Br ZINC000470478772 565047773 /nfs/dbraw/zinc/04/77/73/565047773.db2.gz YAKZCCGOTLMFOI-CYBMUJFWSA-N 1 0 397.313 2.783 20 0 GFADRO C[C@@H]1CN(C[C@H](O)C[NH2+]CCCOc2ccc(Cl)cc2Cl)C[C@H](C)O1 ZINC000562985946 565050738 /nfs/dbraw/zinc/05/07/38/565050738.db2.gz KPYKXONFDUFFMC-IJEWVQPXSA-N 1 0 391.339 2.822 20 0 GFADRO C[C@@H]1CCN(C(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)CC[S@]1=O ZINC000563040957 565052663 /nfs/dbraw/zinc/05/26/63/565052663.db2.gz FPPSRRXFMLGBMH-VGVFXLANSA-N 1 0 383.583 2.684 20 0 GFADRO C[C@@H]1CCN(C(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)CC[S@@]1=O ZINC000563040958 565052808 /nfs/dbraw/zinc/05/28/08/565052808.db2.gz FPPSRRXFMLGBMH-OTHJDCTCSA-N 1 0 383.583 2.684 20 0 GFADRO Cc1c(C(=O)N[C@H]2C[NH2+]CCC2(F)F)cnn1-c1cccc(Br)c1 ZINC000563115702 565055906 /nfs/dbraw/zinc/05/59/06/565055906.db2.gz JEGJYOYTNJQYAU-AWEZNQCLSA-N 1 0 399.239 2.670 20 0 GFADRO C[N@H+]1CC=C(CNC(=O)c2cc(=O)[nH]c3c(Br)cccc23)CC1 ZINC000537242719 565055873 /nfs/dbraw/zinc/05/58/73/565055873.db2.gz GWZDJKCKZDSYOE-UHFFFAOYSA-N 1 0 376.254 2.695 20 0 GFADRO COc1cc(C[NH2+][C@@H]2CO[C@H](C)C2)cc(I)c1OC ZINC000563121773 565056396 /nfs/dbraw/zinc/05/63/96/565056396.db2.gz FCRZYFBWBXFNSX-KOLCDFICSA-N 1 0 377.222 2.575 20 0 GFADRO COc1cc(C[NH2+][C@H]2CO[C@H](C)C2)cc(I)c1OC ZINC000563121774 565056561 /nfs/dbraw/zinc/05/65/61/565056561.db2.gz FCRZYFBWBXFNSX-MWLCHTKSSA-N 1 0 377.222 2.575 20 0 GFADRO CS[C@@H]1CN(C[C@H](O)COc2ccc(Cl)cc2Cl)C[C@@H]1[NH+](C)C ZINC000537291100 565056622 /nfs/dbraw/zinc/05/66/22/565056622.db2.gz TVPZGLIJNJCRHV-DUVNUKRYSA-N 1 0 379.353 2.711 20 0 GFADRO OC[C@H](Cc1ccc(F)cc1)[NH2+]C[C@@H](O)COc1cccc(Br)c1 ZINC000563138096 565056830 /nfs/dbraw/zinc/05/68/30/565056830.db2.gz NEHGBOCLTVMDGJ-DLBZAZTESA-N 1 0 398.272 2.521 20 0 GFADRO C[N@@H+]1CC[C@@H](CC(=O)N2CCO[C@H](c3ccc(F)c(Br)c3)C2)C1 ZINC000635814557 565076381 /nfs/dbraw/zinc/07/63/81/565076381.db2.gz PUMHUGKRZQQNHQ-LRDDRELGSA-N 1 0 385.277 2.830 20 0 GFADRO C[NH+](C)CCOc1cccc(NCc2ccc(S(N)(=O)=O)c(Cl)c2)c1 ZINC000584397844 565078799 /nfs/dbraw/zinc/07/87/99/565078799.db2.gz NPTRPADADSFTDR-UHFFFAOYSA-N 1 0 383.901 2.540 20 0 GFADRO O=S(=O)(N[C@@H]1CC[N@@H+](C2CCCCC2)C1)c1ccc(Br)cn1 ZINC000657161691 565080894 /nfs/dbraw/zinc/08/08/94/565080894.db2.gz QBHAEJZPHWMTQH-CYBMUJFWSA-N 1 0 388.331 2.529 20 0 GFADRO CC[C@@H]1C[N@H+](C)CCCN1C(=O)c1cc(Br)c2c(c1)OCCO2 ZINC000684822293 565084014 /nfs/dbraw/zinc/08/40/14/565084014.db2.gz JXURUYZTSFRBFK-CYBMUJFWSA-N 1 0 383.286 2.777 20 0 GFADRO CC[C@@H]1C[N@H+](C)CCCN1C(=O)CCNC(=O)c1ccc(Br)cc1 ZINC000684823324 565084058 /nfs/dbraw/zinc/08/40/58/565084058.db2.gz RTTGABKMRAFIHE-MRXNPFEDSA-N 1 0 396.329 2.512 20 0 GFADRO C[C@@H](NC(=O)C[N@H+](C)CCc1ccccc1)c1ncc(Br)cn1 ZINC000635959900 565084579 /nfs/dbraw/zinc/08/45/79/565084579.db2.gz VOUSQKPGRLTLGK-CYBMUJFWSA-N 1 0 377.286 2.591 20 0 GFADRO O=C(Cc1cc2c(cc1Br)OCCO2)NCC12CCC[NH+]1CCC2 ZINC000684850135 565085387 /nfs/dbraw/zinc/08/53/87/565085387.db2.gz UNBJNFCZWILHPG-UHFFFAOYSA-N 1 0 395.297 2.507 20 0 GFADRO C[NH+](C)CC1(C(=O)Nc2cc(N3CCOCC3)ccc2Br)CC1 ZINC000635997236 565085651 /nfs/dbraw/zinc/08/56/51/565085651.db2.gz SFUOUSTUSAOQNQ-UHFFFAOYSA-N 1 0 382.302 2.566 20 0 GFADRO C[N@@H+]1CC[C@H](CC(=O)Nc2cc(N3CCOCC3)ccc2Br)C1 ZINC000635997109 565085821 /nfs/dbraw/zinc/08/58/21/565085821.db2.gz QGCNXFITIMSVGL-CYBMUJFWSA-N 1 0 382.302 2.566 20 0 GFADRO CC(C)([NH3+])c1nocc1C(=O)N[C@H]1COc2cc(F)c(Br)cc21 ZINC000584540270 565086839 /nfs/dbraw/zinc/08/68/39/565086839.db2.gz SIGXMMAMOGXGRV-NSHDSACASA-N 1 0 384.205 2.634 20 0 GFADRO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)C(=O)CSc3n[nH]c(C)n3)C2)s1 ZINC000584534241 565086904 /nfs/dbraw/zinc/08/69/04/565086904.db2.gz ICMWGEUBQQUAAQ-AWEZNQCLSA-N 1 0 379.555 2.556 20 0 GFADRO CC(=O)c1cc(Br)ccc1OCC(=O)N[C@H]1C[C@@H]([NH+]2CCCC2)C1 ZINC000636099844 565090274 /nfs/dbraw/zinc/09/02/74/565090274.db2.gz AHKBEHGEQBDRDE-GASCZTMLSA-N 1 0 395.297 2.774 20 0 GFADRO COc1cc(Br)c(C(=O)N[C@H]2C[C@@H]([NH+]3CCCC3)C2)cc1OC ZINC000636101268 565090408 /nfs/dbraw/zinc/09/04/08/565090408.db2.gz LRKXGNYLVHGURA-TXEJJXNPSA-N 1 0 383.286 2.823 20 0 GFADRO C[NH+](C)[C@@H]1CCCN(C(=O)c2cc(Br)cc3c2OCCO3)CC1 ZINC000614012208 565090628 /nfs/dbraw/zinc/09/06/28/565090628.db2.gz WYRDWHCNBITDSH-CYBMUJFWSA-N 1 0 383.286 2.777 20 0 GFADRO O[C@@H](COc1ccc(Cl)c(Cl)c1)CN1CCN(CC(F)(F)F)CC1 ZINC000685013754 565093775 /nfs/dbraw/zinc/09/37/75/565093775.db2.gz CRNNVCZHPWUDPE-LLVKDONJSA-N 1 0 387.229 2.913 20 0 GFADRO C[NH+](C)C[C@@]1(O)CCCN(C(=O)CCCc2ccc(Br)s2)C1 ZINC000614070027 565093945 /nfs/dbraw/zinc/09/39/45/565093945.db2.gz HUZDERBHAVLJDD-INIZCTEOSA-N 1 0 389.359 2.748 20 0 GFADRO C[NH+](C)C[C@]1(O)CCCN(C(=O)c2cc(Br)cc3cccnc32)C1 ZINC000614067014 565094279 /nfs/dbraw/zinc/09/42/79/565094279.db2.gz NZTHNPCOTBIHCR-GOSISDBHSA-N 1 0 392.297 2.526 20 0 GFADRO C[NH+](C)C[C@]1(O)CCCN(C(=O)CSc2cccc(C(F)(F)F)c2)C1 ZINC000614069751 565094466 /nfs/dbraw/zinc/09/44/66/565094466.db2.gz CVONEBGWIYQUTK-MRXNPFEDSA-N 1 0 376.444 2.713 20 0 GFADRO C[NH+](C)C[C@@]1(O)CCCN(C(=O)CCOc2cccc(Cl)c2Cl)C1 ZINC000614068033 565094481 /nfs/dbraw/zinc/09/44/81/565094481.db2.gz KQVSYJWRURAVBG-KRWDZBQOSA-N 1 0 375.296 2.677 20 0 GFADRO O=C1NCCC[C@@H]1C[NH2+]Cc1ccc(Br)c(Br)c1 ZINC000657283865 565095573 /nfs/dbraw/zinc/09/55/73/565095573.db2.gz JWNUQESNBLFDCP-SNVBAGLBSA-N 1 0 376.092 2.827 20 0 GFADRO COc1cc(C[NH2+]C[C@@H]2CCCNC2=O)cc(Br)c1OC(F)F ZINC000657288083 565095747 /nfs/dbraw/zinc/09/57/47/565095747.db2.gz QJYXGJRTJPMMBR-JTQLQIEISA-N 1 0 393.228 2.675 20 0 GFADRO COc1cc(C[NH2+]C[C@H]2CCCNC2=O)cc(Br)c1OC(F)F ZINC000657288084 565095972 /nfs/dbraw/zinc/09/59/72/565095972.db2.gz QJYXGJRTJPMMBR-SNVBAGLBSA-N 1 0 393.228 2.675 20 0 GFADRO O=C(NCCC[NH2+]Cc1cn(C2CCC2)nn1)c1ccc(Br)cc1 ZINC000657342509 565097010 /nfs/dbraw/zinc/09/70/10/565097010.db2.gz NBWRZIBYZZKYFN-UHFFFAOYSA-N 1 0 392.301 2.675 20 0 GFADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)Cc1ccc(Br)cc1F ZINC000614132174 565098762 /nfs/dbraw/zinc/09/87/62/565098762.db2.gz HHEIXMCVUXRTCN-ZDUSSCGKSA-N 1 0 399.304 2.842 20 0 GFADRO Cc1c(Br)cncc1C[NH2+][C@@H]1CCCN(CC(F)(F)F)C1=O ZINC000657413644 565099690 /nfs/dbraw/zinc/09/96/90/565099690.db2.gz PJOONTGALROJDZ-GFCCVEGCSA-N 1 0 380.208 2.795 20 0 GFADRO Cc1c(Br)cncc1C[NH2+]C[C@@H](N1CCOCC1)C(F)(F)F ZINC000657465760 565103422 /nfs/dbraw/zinc/10/34/22/565103422.db2.gz GYRSTZOIAALYPA-CYBMUJFWSA-N 1 0 382.224 2.505 20 0 GFADRO CC(C)(C[NH+]1CCOCC1)C(=O)N[C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21 ZINC000636302043 565104747 /nfs/dbraw/zinc/10/47/47/565104747.db2.gz DLBIDWKJSFRHCS-HYVNUMGLSA-N 1 0 393.325 2.562 20 0 GFADRO CO[C@@H](C[NH2+]Cc1cnn(-c2ccc(Br)cc2)c1)[C@H]1CCOC1 ZINC000657543854 565107612 /nfs/dbraw/zinc/10/76/12/565107612.db2.gz NDOWIGYKOGPLCR-YOEHRIQHSA-N 1 0 380.286 2.776 20 0 GFADRO CN(CCC[NH+]1CCCC1)C(=O)c1cc(Br)cc2c1OCCO2 ZINC000614392027 565110829 /nfs/dbraw/zinc/11/08/29/565110829.db2.gz HEMBBOPSGNNUTL-UHFFFAOYSA-N 1 0 383.286 2.778 20 0 GFADRO O[C@H]1CC[N@H+](Cc2ccc(CNCc3ncc(Br)s3)cc2)C1 ZINC000657595761 565111426 /nfs/dbraw/zinc/11/14/26/565111426.db2.gz JWQZCUKVFSHBJF-AWEZNQCLSA-N 1 0 382.327 2.762 20 0 GFADRO Cc1cc(Br)c(C[NH2+]C[C@]2(OCCO)CCOC2)cc1Cl ZINC000657597956 565112100 /nfs/dbraw/zinc/11/21/00/565112100.db2.gz DKTXISZNIDLROY-OAHLLOKOSA-N 1 0 378.694 2.669 20 0 GFADRO COc1cc(C[NH2+][C@@H]2CC[C@H](C)S(=O)(=O)C2)ccc1OCC(F)(F)F ZINC000657636676 565115433 /nfs/dbraw/zinc/11/54/33/565115433.db2.gz HNQIKKCTMARZFL-WCQYABFASA-N 1 0 381.416 2.692 20 0 GFADRO Cc1cc2c(o1)c(C(=O)NC[C@@H]1C[N@@H+]3CCN1CCC3)ccc2Br ZINC000614503888 565115872 /nfs/dbraw/zinc/11/58/72/565115872.db2.gz SMIKKPLLIFRDMI-CYBMUJFWSA-N 1 0 392.297 2.623 20 0 GFADRO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1ccc(F)c(Br)c1F ZINC000657651466 565116791 /nfs/dbraw/zinc/11/67/91/565116791.db2.gz DHSUUUBUKXVCSP-VIFPVBQESA-N 1 0 392.244 2.512 20 0 GFADRO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1ccc(Br)c(F)c1C ZINC000657651761 565117321 /nfs/dbraw/zinc/11/73/21/565117321.db2.gz NSGUWHYMBPHIDD-JTQLQIEISA-N 1 0 388.281 2.682 20 0 GFADRO CCC[N@H+](CC)CCNC(=O)C(=O)Nc1ccc(Br)c(F)c1C ZINC000657697945 565120383 /nfs/dbraw/zinc/12/03/83/565120383.db2.gz XWSBAUJFSDGHKR-UHFFFAOYSA-N 1 0 388.281 2.683 20 0 GFADRO CSc1ccc(Cl)c(NC(=O)C(=O)NC[C@@]2([NH+](C)C)CCSC2)c1 ZINC000657700515 565120681 /nfs/dbraw/zinc/12/06/81/565120681.db2.gz WJJDJDFCRLDMOG-INIZCTEOSA-N 1 0 387.958 2.554 20 0 GFADRO Cc1c(Br)cc(C[NH2+]C[C@@H]2CCC(=O)N2)cc1Br ZINC000657710920 565121861 /nfs/dbraw/zinc/12/18/61/565121861.db2.gz FALZNUPJOLPBDK-JTQLQIEISA-N 1 0 376.092 2.888 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2Cc1cn2ccc(Br)cc2n1 ZINC000685838926 565126319 /nfs/dbraw/zinc/12/63/19/565126319.db2.gz QPHFISFZGRYSDW-IKGGRYGDSA-N 1 0 393.329 2.780 20 0 GFADRO CC(C)[C@H](CNC(=O)CCn1cc(Br)cn1)[NH+]1CCC(C)CC1 ZINC000614653236 565127021 /nfs/dbraw/zinc/12/70/21/565127021.db2.gz AJCPFOYDPZUKOK-INIZCTEOSA-N 1 0 385.350 2.908 20 0 GFADRO CC(C)(C)N1C[C@@H](C[NH2+]Cc2cn3ccc(Br)cc3n2)CC1=O ZINC000657756087 565127625 /nfs/dbraw/zinc/12/76/25/565127625.db2.gz RHZISCIRZUBLCB-GFCCVEGCSA-N 1 0 379.302 2.833 20 0 GFADRO CC(C)(C[NH2+]Cc1cc2c(cc1Br)OCO2)[C@@]1(O)CCCOC1 ZINC000657765146 565128567 /nfs/dbraw/zinc/12/85/67/565128567.db2.gz GKEMQDLUOAPIMO-QGZVFWFLSA-N 1 0 386.286 2.835 20 0 GFADRO CNS(=O)(=O)Cc1ccc(C[NH2+][C@@H](C)c2cncc(Br)c2)cc1 ZINC000657845560 565133449 /nfs/dbraw/zinc/13/34/49/565133449.db2.gz RSOYNNGSSJGJMH-LBPRGKRZSA-N 1 0 398.326 2.744 20 0 GFADRO CCN(CC)S(=O)(=O)c1ccc(CC[NH2+][C@H]2CCCn3nccc32)s1 ZINC000657868646 565135145 /nfs/dbraw/zinc/13/51/45/565135145.db2.gz CJGRNBUQBLHMFZ-HNNXBMFYSA-N 1 0 382.555 2.642 20 0 GFADRO O=C(NCC1CC[NH+](C2CC2)CC1)C(=O)Nc1cccc(Br)c1F ZINC000657907491 565135522 /nfs/dbraw/zinc/13/55/22/565135522.db2.gz NNQOCFVVHQJBIX-UHFFFAOYSA-N 1 0 398.276 2.517 20 0 GFADRO CC[C@@H](Cc1ccc(Br)cc1)[NH2+]C[C@H]1CCCN1S(C)(=O)=O ZINC000657932213 565138517 /nfs/dbraw/zinc/13/85/17/565138517.db2.gz KKQZDGVAOKHAFF-JKSUJKDBSA-N 1 0 389.359 2.784 20 0 GFADRO CSc1cc(Cl)ccc1NC(=O)C(=O)N1CC[N@@H+](C2CC2)C[C@@H](C)C1 ZINC000657979364 565141321 /nfs/dbraw/zinc/14/13/21/565141321.db2.gz PJXHCISUAUQYEU-GFCCVEGCSA-N 1 0 381.929 2.943 20 0 GFADRO O=S(=O)(NCC[NH2+][C@H]1CCCn2nccc21)c1cccc(Cl)c1Cl ZINC000658009144 565145116 /nfs/dbraw/zinc/14/51/16/565145116.db2.gz BQYRILUEGDBXQT-LBPRGKRZSA-N 1 0 389.308 2.593 20 0 GFADRO COc1ccc(C(=O)N2CCC([N@@H+]3CCOC[C@@H]3C)CC2)c(Br)c1 ZINC000615092026 565145140 /nfs/dbraw/zinc/14/51/40/565145140.db2.gz PQDVUGDSKLZHEO-ZDUSSCGKSA-N 1 0 397.313 2.783 20 0 GFADRO CC[C@@H](Cc1ccc(Br)cc1)[NH2+]CCCCn1cc(C(N)=O)nn1 ZINC000658037982 565147268 /nfs/dbraw/zinc/14/72/68/565147268.db2.gz MTOGZAMFLAMQCP-HNNXBMFYSA-N 1 0 394.317 2.531 20 0 GFADRO CC(C)[C@@H](Cc1ccc(Br)cc1)[NH2+][C@H]1CCN(S(C)(=O)=O)C1 ZINC000658047057 565148305 /nfs/dbraw/zinc/14/83/05/565148305.db2.gz ORKAEVMWCGBGIO-JKSUJKDBSA-N 1 0 389.359 2.640 20 0 GFADRO CCn1nncc1CNC(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000637296561 565149294 /nfs/dbraw/zinc/14/92/94/565149294.db2.gz NYPMXTZXRMTUIJ-HNNXBMFYSA-N 1 0 385.299 2.707 20 0 GFADRO O=C(NCC[NH2+]C1CC1)N1CCO[C@H](c2cc(F)c(Cl)cc2Cl)C1 ZINC000637329665 565149963 /nfs/dbraw/zinc/14/99/63/565149963.db2.gz NEWOLPOQBNJICS-HNNXBMFYSA-N 1 0 376.259 2.967 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccc(Br)cc2)C1 ZINC000658118767 565150603 /nfs/dbraw/zinc/15/06/03/565150603.db2.gz GNUZOMZMJZTEPQ-GFCCVEGCSA-N 1 0 382.302 2.624 20 0 GFADRO COc1ncc(Br)cc1CNC(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000637406874 565154166 /nfs/dbraw/zinc/15/41/66/565154166.db2.gz JQEUBSCDWPCTKD-OAHLLOKOSA-N 1 0 397.317 2.623 20 0 GFADRO C[N@@H+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)c1cn2cc(Cl)cc(Cl)c2n1 ZINC000615266546 565154460 /nfs/dbraw/zinc/15/44/60/565154460.db2.gz OCCCQFWFZDYNCA-CABCVRRESA-N 1 0 383.279 2.576 20 0 GFADRO C[N@@H+]1CCC[C@H]1[C@H]1COCCN1C(=O)c1c[nH]c2cccc(Br)c12 ZINC000615269707 565154958 /nfs/dbraw/zinc/15/49/58/565154958.db2.gz MSBWAOGBAZZPGY-JKSUJKDBSA-N 1 0 392.297 2.866 20 0 GFADRO C[C@@H]([NH2+]C[C@]1(C)CC1(F)F)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000658222401 565155631 /nfs/dbraw/zinc/15/56/31/565155631.db2.gz NPNMEMDNOCALTJ-PELKAZGASA-N 1 0 383.258 2.792 20 0 GFADRO C[C@@H]([NH2+]C[C@@H]1CCC[C@@H](C)O1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000658215251 565156232 /nfs/dbraw/zinc/15/62/32/565156232.db2.gz GMSMITOIMLIUAJ-WZRBSPASSA-N 1 0 391.331 2.705 20 0 GFADRO Cc1cncc(CC[NH2+][C@@H](C)c2cc(S(N)(=O)=O)c(Cl)cc2Cl)n1 ZINC000658263524 565157357 /nfs/dbraw/zinc/15/73/57/565157357.db2.gz ZIYVYWSAUHZGPC-JTQLQIEISA-N 1 0 389.308 2.633 20 0 GFADRO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)c1cc(=O)[nH]c2ccc(Br)cc21 ZINC000615309368 565158037 /nfs/dbraw/zinc/15/80/37/565158037.db2.gz SVENBGHIIBGDLN-MEBBXXQBSA-N 1 0 378.270 2.868 20 0 GFADRO O=S1(=O)CC[C@@H]([NH2+]CC2CCC(O)CC2)c2cc(Br)ccc21 ZINC000658285540 565158453 /nfs/dbraw/zinc/15/84/53/565158453.db2.gz LACKFCSNZQJWSP-ABIUDSBCSA-N 1 0 388.327 2.808 20 0 GFADRO C[NH+](C)C[C@H](NC(=O)NCC[C@@H](O)C(F)F)c1ccc(Cl)c(Cl)c1 ZINC000637472480 565158847 /nfs/dbraw/zinc/15/88/47/565158847.db2.gz JUDGFECCCQHYAK-QWHCGFSZSA-N 1 0 384.254 2.911 20 0 GFADRO Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)[NH2+]CC1(O)CCC(F)(F)CC1 ZINC000658321259 565159695 /nfs/dbraw/zinc/15/96/95/565159695.db2.gz MEWLEHUSJJXVLW-ZDUSSCGKSA-N 1 0 376.469 2.542 20 0 GFADRO C[NH+](C)CC1CN(C(=O)[C@@H]2CCCN2C(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000615513279 565164080 /nfs/dbraw/zinc/16/40/80/565164080.db2.gz NUKHUSOQZOYVRQ-INIZCTEOSA-N 1 0 384.307 2.618 20 0 GFADRO O=C(Cn1cc(Br)cn1)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000615511604 565164121 /nfs/dbraw/zinc/16/41/21/565164121.db2.gz SKIHKQQCIPABGI-MRXNPFEDSA-N 1 0 377.286 2.599 20 0 GFADRO CC1(C)C[NH2+]CC[C@H]1NS(=O)(=O)c1cc(Cl)ccc1OC(F)(F)F ZINC000658381601 565165858 /nfs/dbraw/zinc/16/58/58/565165858.db2.gz VRIIIBNVUXDTTF-GFCCVEGCSA-N 1 0 386.823 2.905 20 0 GFADRO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCCN2S(=O)(=O)Cc2cc(F)ccc2Cl)C1 ZINC000658384195 565165919 /nfs/dbraw/zinc/16/59/19/565165919.db2.gz VIBFYOLGCTUGKX-HYVNUMGLSA-N 1 0 390.908 2.670 20 0 GFADRO [NH3+]CC12CC(C1)CN2S(=O)(=O)c1ccc(Br)cc1C(F)(F)F ZINC000658397241 565167131 /nfs/dbraw/zinc/16/71/31/565167131.db2.gz SLQSNIGLNMNRPC-UHFFFAOYSA-N 1 0 399.232 2.580 20 0 GFADRO C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1cnc3ncc(Br)cc3c1)C2 ZINC000615603793 565167303 /nfs/dbraw/zinc/16/73/03/565167303.db2.gz PMUWNRXISWHUTB-GOSISDBHSA-N 1 0 389.297 2.950 20 0 GFADRO COc1cc(C(F)(F)F)cc(S(=O)(=O)N[C@H]2CC[NH2+]C3(CCC3)C2)c1 ZINC000658402535 565167663 /nfs/dbraw/zinc/16/76/63/565167663.db2.gz QXTADKXXHNTEHO-LBPRGKRZSA-N 1 0 378.416 2.667 20 0 GFADRO C[C@@H]1CCN(S(=O)(=O)c2ccc(Cl)cc2Br)[C@H](C[NH3+])C1 ZINC000658399337 565167748 /nfs/dbraw/zinc/16/77/48/565167748.db2.gz UPXLSVUIPIQZDJ-KOLCDFICSA-N 1 0 381.723 2.850 20 0 GFADRO C[C@@H](NC(=O)NC[C@@](C)(O)C[NH+](C)C)c1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC000637671660 565168768 /nfs/dbraw/zinc/16/87/68/565168768.db2.gz LKUQMQDQSAIXGV-JDNHERCYSA-N 1 0 388.299 2.543 20 0 GFADRO COC[C@@]1(C(=O)Nc2nnc(SCc3ccccc3)s2)CCCC[NH2+]1 ZINC000637874753 565175906 /nfs/dbraw/zinc/17/59/06/565175906.db2.gz GQKCAEZQIXYMPY-QGZVFWFLSA-N 1 0 378.523 2.928 20 0 GFADRO C[C@@H](CNC(=O)c1ccc(I)cc1Cl)C[NH+](C)C ZINC000590042041 565176640 /nfs/dbraw/zinc/17/66/40/565176640.db2.gz UETMMPWTHMXIGC-VIFPVBQESA-N 1 0 380.657 2.872 20 0 GFADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)C(C)(C)c1ccc(Br)cc1 ZINC000590122579 565178177 /nfs/dbraw/zinc/17/81/77/565178177.db2.gz PRRLRAYBNJSSKO-INIZCTEOSA-N 1 0 383.330 2.954 20 0 GFADRO COc1ccc(Br)cc1[C@H]1CCCN1C(=O)c1cnc(C[NH3+])nc1 ZINC000637969649 565178747 /nfs/dbraw/zinc/17/87/47/565178747.db2.gz PRLAQCVQJULGID-CQSZACIVSA-N 1 0 391.269 2.684 20 0 GFADRO C[N@@H+](Cc1ccccc1)C[C@H](N)C(=O)NCc1sccc1Br ZINC000637963315 565178821 /nfs/dbraw/zinc/17/88/21/565178821.db2.gz LXLDGEGSWAVNTK-AWEZNQCLSA-N 1 0 382.327 2.586 20 0 GFADRO CC[NH2+][C@@H](C)C(=O)N1CCC(C(=O)Nc2ccccc2Br)CC1 ZINC000637972561 565178959 /nfs/dbraw/zinc/17/89/59/565178959.db2.gz ATNBIAHVMFKLPU-LBPRGKRZSA-N 1 0 382.302 2.624 20 0 GFADRO CC[C@@H]1CN(Cc2cnn3cc(Br)cnc23)[C@@H](CC)CN1C(C)=O ZINC000638121473 565184715 /nfs/dbraw/zinc/18/47/15/565184715.db2.gz LOFDRPZXYQEJON-JKSUJKDBSA-N 1 0 394.317 2.713 20 0 GFADRO [NH3+]C[C@@H](NC(=O)N1CCc2[nH]c3c(cccc3Br)c2C1)C1CC1 ZINC000638155559 565186238 /nfs/dbraw/zinc/18/62/38/565186238.db2.gz NIAWROISIARUEK-OAHLLOKOSA-N 1 0 377.286 2.735 20 0 GFADRO COCC1(CNC(=O)[C@@H]2C[C@@]2(C)c2cccc(Br)c2)CC[NH2+]CC1 ZINC000638224423 565188857 /nfs/dbraw/zinc/18/88/57/565188857.db2.gz IXXSHVXKDZDFQF-WMZOPIPTSA-N 1 0 395.341 2.859 20 0 GFADRO O=C(c1ccc2cncc(Br)c2n1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000638239583 565189021 /nfs/dbraw/zinc/18/90/21/565189021.db2.gz IOSLLJVNZSIXPO-ZDUSSCGKSA-N 1 0 389.297 2.854 20 0 GFADRO O=C([C@H]1[C@@H]2c3ccc(Br)cc3C[C@H]12)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000638249848 565190000 /nfs/dbraw/zinc/19/00/00/565190000.db2.gz XXLQRMKCYMDOKD-RWKYPWFPSA-N 1 0 375.310 2.793 20 0 GFADRO O=C(c1ccc2cncc(Br)c2n1)N1CCC2(CC[NH2+]C2)CC1 ZINC000638247024 565190105 /nfs/dbraw/zinc/19/01/05/565190105.db2.gz NBRHILVUGHTPBL-UHFFFAOYSA-N 1 0 375.270 2.608 20 0 GFADRO CO[C@@H](C[NH2+]Cc1nnc2c(Cl)cc(C(F)(F)F)cn12)[C@H]1CCOC1 ZINC000638344296 565192381 /nfs/dbraw/zinc/19/23/81/565192381.db2.gz TWSPJNOSKOBKIM-CABZTGNLSA-N 1 0 378.782 2.543 20 0 GFADRO C[C@H](CN1CCOCC1)[NH2+][C@@H]1CCN(C)[C@H](c2ccc(Br)cc2)C1 ZINC000638368316 565193450 /nfs/dbraw/zinc/19/34/50/565193450.db2.gz VYTWCHMCUUPKKC-LZQZEXGQSA-N 1 0 396.373 2.895 20 0 GFADRO OC[C@H](C[NH2+]Cc1cnn2cc(Br)cnc12)Cc1ccc(F)cc1 ZINC000638414232 565194858 /nfs/dbraw/zinc/19/48/58/565194858.db2.gz NKAUDVMRXVKRHP-ZDUSSCGKSA-N 1 0 393.260 2.572 20 0 GFADRO O=C(NCc1ccc(Cl)c(Cl)c1)c1nnn([C@H]2CC[NH2+]C2)c1C(F)F ZINC000638414138 565194890 /nfs/dbraw/zinc/19/48/90/565194890.db2.gz CJYJNJQMFYGETP-VIFPVBQESA-N 1 0 390.221 2.987 20 0 GFADRO Brc1cnc2c(C[NH2+]CCN3CCc4sccc4C3)cnn2c1 ZINC000638407022 565195034 /nfs/dbraw/zinc/19/50/34/565195034.db2.gz BJFHVWWFUAHLIC-UHFFFAOYSA-N 1 0 392.326 2.701 20 0 GFADRO COc1ncc(C(=O)N2CCC([C@H]3CCC[NH2+]C3)CC2)cc1Br ZINC000658955925 565196436 /nfs/dbraw/zinc/19/64/36/565196436.db2.gz BSYPROUXHYNHQO-ZDUSSCGKSA-N 1 0 382.302 2.705 20 0 GFADRO O=C(C[C@H]1COCC[NH2+]1)N1CC[C@@H](Sc2ccc(Br)cc2)C1 ZINC000638471962 565197712 /nfs/dbraw/zinc/19/77/12/565197712.db2.gz CQJDJFRSVZCKCI-DZGCQCFKSA-N 1 0 385.327 2.521 20 0 GFADRO O=C(Nc1cc(Cl)c(Br)cc1F)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O ZINC000638476389 565198147 /nfs/dbraw/zinc/19/81/47/565198147.db2.gz MLNJYSISELBDLL-CBLAIPOGSA-N 1 0 389.652 2.995 20 0 GFADRO C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)Nc2ccc(Cl)cc2Cl)CCO1 ZINC000658999162 565198353 /nfs/dbraw/zinc/19/83/53/565198353.db2.gz XWAKYWJZUHEUAB-ZDUSSCGKSA-N 1 0 388.295 2.501 20 0 GFADRO [NH3+]C[C@H](NC(=O)NCC1(Cc2ccc(Br)cc2)CC1)C(F)(F)F ZINC000659025504 565199322 /nfs/dbraw/zinc/19/93/22/565199322.db2.gz RZANLTRZZDTWJS-LBPRGKRZSA-N 1 0 394.235 2.961 20 0 GFADRO O=C(NCC12CC(C1)C[NH2+]2)Nc1nnc(-c2cccc(Br)c2)s1 ZINC000659009930 565199337 /nfs/dbraw/zinc/19/93/37/565199337.db2.gz UIIGOZXLLFMROJ-UHFFFAOYSA-N 1 0 394.298 2.841 20 0 GFADRO Cc1nccc(NC(=O)N2CCC([C@H]3CCC[NH2+]C3)CC2)c1Br ZINC000659010761 565199744 /nfs/dbraw/zinc/19/97/44/565199744.db2.gz ZGVZPQLQBVOXTJ-AWEZNQCLSA-N 1 0 381.318 2.818 20 0 GFADRO CCCC[C@H](C[NH3+])NC(=O)C(=O)Nc1cc(Cl)c(Br)cc1C ZINC000659080537 565200334 /nfs/dbraw/zinc/20/03/34/565200334.db2.gz GMMXHOCWYYCFQM-SNVBAGLBSA-N 1 0 390.709 2.983 20 0 GFADRO COCC(C)(C)[NH+]1CCN(C(=O)Cc2ccc(Br)cc2F)CC1 ZINC000616415292 565200633 /nfs/dbraw/zinc/20/06/33/565200633.db2.gz AMQCSQVJXVHSED-UHFFFAOYSA-N 1 0 387.293 2.700 20 0 GFADRO COc1cc(Br)ccc1[C@H]1CCCN1C(=O)COC1CC[NH2+]CC1 ZINC000638532180 565200920 /nfs/dbraw/zinc/20/09/20/565200920.db2.gz JQPGFHPVRJUNSZ-MRXNPFEDSA-N 1 0 397.313 2.890 20 0 GFADRO COc1ccccc1SC[C@H](C)C[NH2+]Cc1ccc(S(N)(=O)=O)cc1 ZINC000638545451 565201326 /nfs/dbraw/zinc/20/13/26/565201326.db2.gz UCKUFTPOHSKAKX-CQSZACIVSA-N 1 0 380.535 2.861 20 0 GFADRO Cc1cc(Br)c(Cl)cc1NC(=O)C(=O)N[C@H]1CCC[NH2+][C@H]1C ZINC000659085769 565201890 /nfs/dbraw/zinc/20/18/90/565201890.db2.gz NUDKVEBWZOHETJ-CABZTGNLSA-N 1 0 388.693 2.606 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)Cc2ccccc2Br)CC[C@@H]1C(F)(F)F ZINC000638547267 565201995 /nfs/dbraw/zinc/20/19/95/565201995.db2.gz AJZHKZXVNKWISL-NEPJUHHUSA-N 1 0 379.220 2.977 20 0 GFADRO COCCN1CC[C@H]([NH2+][C@@H]2CCN(C)[C@H](c3ccc(Br)cc3)C2)C1 ZINC000638637021 565205044 /nfs/dbraw/zinc/20/50/44/565205044.db2.gz LCMLAPSPAMCSKM-QYZOEREBSA-N 1 0 396.373 2.895 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+]CCCO[C@@H]2CCCc3ccccc32)s1 ZINC000638639363 565205558 /nfs/dbraw/zinc/20/55/58/565205558.db2.gz QLXRNDMJIIIFQI-QGZVFWFLSA-N 1 0 380.535 2.969 20 0 GFADRO CN1CC[C@H]([NH2+]C[C@@H](O)C2CCOCC2)C[C@H]1c1ccc(Br)cc1 ZINC000638628966 565205889 /nfs/dbraw/zinc/20/58/89/565205889.db2.gz DHXDLYOZFLMENL-GBESFXJTSA-N 1 0 397.357 2.962 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000638648147 565205975 /nfs/dbraw/zinc/20/59/75/565205975.db2.gz KRGRAWKQEHWSST-RBSFLKMASA-N 1 0 384.567 2.608 20 0 GFADRO Cc1ccc([C@@H]2OCCC[C@H]2C[NH2+]Cc2ccc(S(N)(=O)=O)s2)cc1 ZINC000638692095 565207365 /nfs/dbraw/zinc/20/73/65/565207365.db2.gz DAASJUQVQUPFBF-YJBOKZPZSA-N 1 0 380.535 2.961 20 0 GFADRO O=C(NCc1cn([C@@H]2CC[NH2+]C2)nn1)[C@@H]1C[C@H]1c1cccc(Cl)c1Cl ZINC000638755405 565209337 /nfs/dbraw/zinc/20/93/37/565209337.db2.gz OROKUNJOWWENTR-KWCYVHTRSA-N 1 0 380.279 2.539 20 0 GFADRO COc1ccc(Br)c(C(=O)N2CCC(CO[C@@H]3CC[NH2+]C3)CC2)c1 ZINC000638775480 565210707 /nfs/dbraw/zinc/21/07/07/565210707.db2.gz HQEPQMXHPGKRIY-OAHLLOKOSA-N 1 0 397.313 2.688 20 0 GFADRO O=C(COc1ccc(Cl)cc1Cl)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000638776982 565210736 /nfs/dbraw/zinc/21/07/36/565210736.db2.gz AJANEYIOSISTGD-OAHLLOKOSA-N 1 0 387.307 2.989 20 0 GFADRO CC(C)C[N@@H+]1CCC[C@@H](CNCc2cnn3cc(Br)cnc23)C1 ZINC000638787876 565211740 /nfs/dbraw/zinc/21/17/40/565211740.db2.gz NJAREINJGFBHHT-AWEZNQCLSA-N 1 0 380.334 2.949 20 0 GFADRO COc1nsc(C[NH2+][C@@H]2CCOC3(CCOCC3)C2)c1Br ZINC000638781471 565211821 /nfs/dbraw/zinc/21/18/21/565211821.db2.gz USDODRZLFWZQQA-SNVBAGLBSA-N 1 0 377.304 2.732 20 0 GFADRO [NH3+]C[C@H]1c2ccccc2CCN1C(=O)c1sc2c(c1Br)CNC2 ZINC000659324627 565212851 /nfs/dbraw/zinc/21/28/51/565212851.db2.gz HDVIAYVLACOUTC-ZDUSSCGKSA-N 1 0 392.322 2.812 20 0 GFADRO Cn1cc([C@H](CO)[NH2+][C@H]2CCN(C)[C@H](c3ccc(Br)cc3)C2)cn1 ZINC000638814379 565213556 /nfs/dbraw/zinc/21/35/56/565213556.db2.gz YXNBUTFBFJPFPM-BZSNNMDCSA-N 1 0 393.329 2.641 20 0 GFADRO [NH3+][C@H](C(=O)N1CC2(CCOCC2)c2ccc(Br)cc21)C1CCC1 ZINC000638841836 565214303 /nfs/dbraw/zinc/21/43/03/565214303.db2.gz FSKOXLBDABZEAF-INIZCTEOSA-N 1 0 379.298 2.971 20 0 GFADRO COc1ccc(NC(=O)[C@]2([NH3+])[C@H]3CCCO[C@@H]3C2(C)C)c(Br)c1 ZINC000638852371 565215319 /nfs/dbraw/zinc/21/53/19/565215319.db2.gz BKDPJXLJZJOADC-PZSREKOKSA-N 1 0 383.286 2.929 20 0 GFADRO C[C@@H]1CCN(C(=O)c2cn(-c3ccc(Br)cc3)cn2)[C@H](C[NH3+])C1 ZINC000659378650 565215850 /nfs/dbraw/zinc/21/58/50/565215850.db2.gz OWBFKBRNTNBMAT-DOMZBBRYSA-N 1 0 377.286 2.834 20 0 GFADRO Cc1nn(-c2ccc(C(=O)N3C[C@H]4CC[C@@H](C3)[NH2+]4)cc2)c(C)c1Br ZINC000638921963 565218158 /nfs/dbraw/zinc/21/81/58/565218158.db2.gz VCMLCROFOLXDFQ-GASCZTMLSA-N 1 0 389.297 2.828 20 0 GFADRO C[NH2+]C[C@H](C)NC(=O)NCc1cc(Br)ccc1Br ZINC000659483852 565218232 /nfs/dbraw/zinc/21/82/32/565218232.db2.gz KJRGEOWMWPVYFX-QMMMGPOBSA-N 1 0 379.096 2.619 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)NCC[C@@H]([NH3+])C(C)C ZINC000659448745 565218312 /nfs/dbraw/zinc/21/83/12/565218312.db2.gz UCOIXSVNBYTQID-CQSZACIVSA-N 1 0 399.333 2.759 20 0 GFADRO C[C@]1(CNC(=O)N2CCOc3cc(Br)ccc3C2)CCC[NH2+]C1 ZINC000659528325 565219197 /nfs/dbraw/zinc/21/91/97/565219197.db2.gz DUIXYZAJGCAXAW-KRWDZBQOSA-N 1 0 382.302 2.743 20 0 GFADRO [NH3+]CC1(NC(=O)c2ncc(Br)cc2Br)CCCCC1 ZINC000638996795 565219671 /nfs/dbraw/zinc/21/96/71/565219671.db2.gz BPTKBPINOXYDTP-UHFFFAOYSA-N 1 0 391.107 2.998 20 0 GFADRO [NH3+][C@H]1CC[C@H](NC(=O)[C@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000639026509 565220857 /nfs/dbraw/zinc/22/08/57/565220857.db2.gz JNWFSYHWFJCFNY-XJKCOSOUSA-N 1 0 384.307 2.984 20 0 GFADRO CC(C)[C@@H](NC(=O)c1ccccc1Br)C(=O)N[C@H]1CC[C@H]([NH3+])CC1 ZINC000639023230 565220878 /nfs/dbraw/zinc/22/08/78/565220878.db2.gz VUOTYSMHFBJQPF-XJKCOSOUSA-N 1 0 396.329 2.590 20 0 GFADRO [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)NCc1ccc(Cl)c(Cl)c1 ZINC000659599943 565221091 /nfs/dbraw/zinc/22/10/91/565221091.db2.gz RBVDWPOZGQIXLC-ZDUSSCGKSA-N 1 0 387.311 2.523 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)NC(CCC(F)(F)F)CCC(F)(F)F)CCCO1 ZINC000659604467 565221495 /nfs/dbraw/zinc/22/14/95/565221495.db2.gz GNHGHTSEHSHWJA-LLVKDONJSA-N 1 0 379.345 2.799 20 0 GFADRO [NH3+]C1(CNC(=O)C(=O)N2CCC[C@H]2c2cccc(Br)c2)CCCC1 ZINC000659735276 565222436 /nfs/dbraw/zinc/22/24/36/565222436.db2.gz YRNJUDAZDACLPH-HNNXBMFYSA-N 1 0 394.313 2.500 20 0 GFADRO COc1nsc(C[NH2+]CCc2cn3c(n2)SCC3)c1Br ZINC000639055484 565223305 /nfs/dbraw/zinc/22/33/05/565223305.db2.gz SDQTVZUKQXLFLX-UHFFFAOYSA-N 1 0 375.317 2.549 20 0 GFADRO C[C@H]([NH2+][C@H]1CCNC(=O)CC1)c1nc(-c2ccc(Br)cc2)no1 ZINC000639099969 565224329 /nfs/dbraw/zinc/22/43/29/565224329.db2.gz PVVDIZMDMSWGOA-GXFFZTMASA-N 1 0 379.258 2.818 20 0 GFADRO CC(C)(CO)[C@@H]([NH2+]Cc1ccc(S(N)(=O)=O)c(Cl)c1)c1ccccc1 ZINC000639111398 565225978 /nfs/dbraw/zinc/22/59/78/565225978.db2.gz WPCKKHRCVUGXRN-KRWDZBQOSA-N 1 0 382.913 2.837 20 0 GFADRO Cc1cc(CNC(=O)N[C@H]2CCC[NH2+]CC2)ccc1I ZINC000591357825 565227128 /nfs/dbraw/zinc/22/71/28/565227128.db2.gz DIXHJQCGKRGZFI-ZDUSSCGKSA-N 1 0 387.265 2.541 20 0 GFADRO COc1cc(C[C@H](C)[NH2+][C@@H](C(N)=O)c2cccc(Br)c2)ccn1 ZINC000639123077 565227346 /nfs/dbraw/zinc/22/73/46/565227346.db2.gz IDOSCLQWIZLUDV-MEDUHNTESA-N 1 0 378.270 2.600 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+][C@H]2c3ccccc3CC23CCOCC3)s1 ZINC000639190618 565231590 /nfs/dbraw/zinc/23/15/90/565231590.db2.gz BNPKNIMLXAVUFQ-KRWDZBQOSA-N 1 0 378.519 2.579 20 0 GFADRO COc1nsc(C[NH2+][C@@H]2CCC[C@H]3CN(C(C)=O)C[C@H]32)c1Br ZINC000639187061 565231769 /nfs/dbraw/zinc/23/17/69/565231769.db2.gz YSAFJBKSYUPLPI-QJPTWQEYSA-N 1 0 388.331 2.651 20 0 GFADRO COc1ncc(Br)cc1C[NH2+][C@@H]([C@H]1CCCO1)C1(CO)CCC1 ZINC000639193430 565232091 /nfs/dbraw/zinc/23/20/91/565232091.db2.gz MYOOGIMVXJUZAA-CABCVRRESA-N 1 0 385.302 2.653 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)c2cc(Br)cc3c2OCCO3)C1 ZINC000617340824 565232972 /nfs/dbraw/zinc/23/29/72/565232972.db2.gz GUVVQRQFHPTASO-LBPRGKRZSA-N 1 0 383.286 2.823 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)Cc2cc3c(cc2Br)OCCO3)C1 ZINC000617356288 565233374 /nfs/dbraw/zinc/23/33/74/565233374.db2.gz FTFLWHYLIQLPLP-CYBMUJFWSA-N 1 0 397.313 2.752 20 0 GFADRO Cn1ccnc1[C@H](Nc1cc(N2CCOCC2)c(Br)c[nH+]1)C1CC1 ZINC000639243163 565234519 /nfs/dbraw/zinc/23/45/19/565234519.db2.gz YGRXIURHMZTGQM-MRXNPFEDSA-N 1 0 392.301 2.977 20 0 GFADRO Cc1ccc(C[C@H](CO)[NH2+]Cc2cnn3cc(Br)cnc23)cc1C ZINC000639246145 565234824 /nfs/dbraw/zinc/23/48/24/565234824.db2.gz AYOJVPAQJSVTTG-QGZVFWFLSA-N 1 0 389.297 2.802 20 0 GFADRO COc1nsc(C[NH2+]C[C@H](CO)c2ccc(OC)cc2)c1Br ZINC000639258448 565235841 /nfs/dbraw/zinc/23/58/41/565235841.db2.gz AEVLNAHLSJDNCD-LLVKDONJSA-N 1 0 387.299 2.789 20 0 GFADRO CC[N@H+](C)C[C@H]1CCN(CC(=O)c2c[nH]c3ncc(Br)cc23)C1 ZINC000659989912 565235872 /nfs/dbraw/zinc/23/58/72/565235872.db2.gz WDVBJDSADNGTIR-GFCCVEGCSA-N 1 0 379.302 2.782 20 0 GFADRO O=C(NC[C@@H]1CCCC[NH2+]1)c1ccc(I)cc1Cl ZINC000591677259 565236252 /nfs/dbraw/zinc/23/62/52/565236252.db2.gz CZLMQWMHWQIBOX-JTQLQIEISA-N 1 0 378.641 2.817 20 0 GFADRO C[C@@H](Cc1cn(C)c2ccc(F)cc12)[NH2+]Cc1ccc(S(N)(=O)=O)s1 ZINC000639272379 565236495 /nfs/dbraw/zinc/23/64/95/565236495.db2.gz JHCIPXDSRBUFSB-NSHDSACASA-N 1 0 381.498 2.747 20 0 GFADRO CN1CC(=O)N(CC[N@@H+]2CCC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)C1=O ZINC000659993438 565236773 /nfs/dbraw/zinc/23/67/73/565236773.db2.gz KGDKGGAKTKHWSO-ZDUSSCGKSA-N 1 0 386.279 2.731 20 0 GFADRO C[NH+](C)C[C@@H]1CCCCN1S(=O)(=O)c1cc(F)ccc1Br ZINC000660008676 565237323 /nfs/dbraw/zinc/23/73/23/565237323.db2.gz FSFJPIBPIDZICP-LBPRGKRZSA-N 1 0 379.295 2.693 20 0 GFADRO C[NH+](C)C[C@H]1CCCCN1S(=O)(=O)c1c(F)cccc1OC(F)(F)F ZINC000660009387 565237437 /nfs/dbraw/zinc/23/74/37/565237437.db2.gz RJDFJXJBFRBHJK-LLVKDONJSA-N 1 0 384.395 2.829 20 0 GFADRO CN1CC[C@@H]([NH2+]CCN2CCCC2=O)C[C@@H]1c1ccc(Br)cc1 ZINC000639293612 565237719 /nfs/dbraw/zinc/23/77/19/565237719.db2.gz FIWOLFMQRSXCLW-IAGOWNOFSA-N 1 0 380.330 2.796 20 0 GFADRO CN1CC[C@H]([NH2+]CC[C@@]2(O)CCOC2)C[C@@H]1c1ccc(Br)cc1 ZINC000639296967 565237734 /nfs/dbraw/zinc/23/77/34/565237734.db2.gz SNTKNQUDLSEPHH-RCCFBDPRSA-N 1 0 383.330 2.716 20 0 GFADRO COc1ccc(Br)c(S(=O)(=O)N2CCCC[C@@H]2C[NH+](C)C)c1 ZINC000660009067 565237686 /nfs/dbraw/zinc/23/76/86/565237686.db2.gz LMIAVGGBGBXCLC-GFCCVEGCSA-N 1 0 391.331 2.563 20 0 GFADRO CS(=O)(=O)CC1(CC[NH2+]Cc2nc3cc(Br)ccc3o2)CC1 ZINC000639303314 565239441 /nfs/dbraw/zinc/23/94/41/565239441.db2.gz KQJBGEPZXGHUIT-UHFFFAOYSA-N 1 0 387.299 2.895 20 0 GFADRO Brc1cnc2c(CN[C@@H]3CC[N@@H+](C4CCCCC4)C3)cnn2c1 ZINC000639323034 565239638 /nfs/dbraw/zinc/23/96/38/565239638.db2.gz ZHUWACIGNBURJC-OAHLLOKOSA-N 1 0 378.318 2.988 20 0 GFADRO Brc1cnc2c(CN[C@H]3CC[N@@H+](C4CCCCC4)C3)cnn2c1 ZINC000639323033 565239693 /nfs/dbraw/zinc/23/96/93/565239693.db2.gz ZHUWACIGNBURJC-HNNXBMFYSA-N 1 0 378.318 2.988 20 0 GFADRO COc1cccc([C@H](C[NH2+]Cc2cnn3cc(Br)cnc23)OC)c1 ZINC000639344212 565240839 /nfs/dbraw/zinc/24/08/39/565240839.db2.gz WSPCKKYACAAKJH-INIZCTEOSA-N 1 0 391.269 2.978 20 0 GFADRO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)CCc1cc(Br)cs1 ZINC000617505952 565242311 /nfs/dbraw/zinc/24/23/11/565242311.db2.gz WFPXYCGLAOYAAJ-ZDUSSCGKSA-N 1 0 390.391 2.831 20 0 GFADRO O=C(Nc1nnc(-c2cc(Cl)cc(Cl)c2)s1)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000617502696 565242388 /nfs/dbraw/zinc/24/23/88/565242388.db2.gz YYINVFVNYYSSBJ-ZDUSSCGKSA-N 1 0 398.319 2.840 20 0 GFADRO CCCC[N@H+](CC[C@H]1Sc2ccccc2NC1=O)[C@@H]1CCS(=O)(=O)C1 ZINC000660070420 565247744 /nfs/dbraw/zinc/24/77/44/565247744.db2.gz QBNYBPJTVGLUDI-RHSMWYFYSA-N 1 0 382.551 2.779 20 0 GFADRO CNC(=O)CC1CC[NH+](C[C@H](O)COc2cc(Cl)cc(Cl)c2)CC1 ZINC000639506365 565247906 /nfs/dbraw/zinc/24/79/06/565247906.db2.gz BIIQYGKVBARJRZ-HNNXBMFYSA-N 1 0 375.296 2.581 20 0 GFADRO C[C@](O)(C[C@H](O)C[NH2+]C1(c2ccc(Br)cc2)CCOCC1)C1CC1 ZINC000639522806 565250008 /nfs/dbraw/zinc/25/00/08/565250008.db2.gz PQOHDTDSKFERIG-ROUUACIJSA-N 1 0 398.341 2.956 20 0 GFADRO CC(=O)NCC[C@@H]1CCC[N@H+](C[C@@H](O)COc2cc(Cl)cc(Cl)c2)C1 ZINC000639646085 565253307 /nfs/dbraw/zinc/25/33/07/565253307.db2.gz AWYUTIDSNNBMRP-WMLDXEAASA-N 1 0 389.323 2.971 20 0 GFADRO COCC[N@@H+]1CCC[C@H](NC(=O)[C@H](C)Oc2cccc(Cl)c2Cl)C1 ZINC000592098740 565255723 /nfs/dbraw/zinc/25/57/23/565255723.db2.gz ZBKAIQOXVXYRHX-STQMWFEESA-N 1 0 375.296 2.988 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)NCC[C@H](C)[NH+](C)C ZINC000617752330 565257476 /nfs/dbraw/zinc/25/74/76/565257476.db2.gz MIJLXDNYQOBAPK-GJZGRUSLSA-N 1 0 386.583 2.807 20 0 GFADRO Cc1cccc2cc(S(=O)(=O)N3CCO[C@@H](CCC[NH+](C)C)C3)sc21 ZINC000660158073 565261652 /nfs/dbraw/zinc/26/16/52/565261652.db2.gz SMAMFOACLZFXQK-INIZCTEOSA-N 1 0 382.551 2.941 20 0 GFADRO CC1([NH+]2CCCC2)CCN(C(=O)Nc2nnc(CC(F)(F)F)s2)CC1 ZINC000639829906 565264752 /nfs/dbraw/zinc/26/47/52/565264752.db2.gz IACKXUSOAXRVAT-UHFFFAOYSA-N 1 0 377.436 3.125 20 0 GFADRO O=C1CCCN1C[C@H]1CC[N@@H+](C[C@@H](O)COc2cc(Cl)cc(Cl)c2)C1 ZINC000639862589 565265897 /nfs/dbraw/zinc/26/58/97/565265897.db2.gz MKWZIIPETWXTCJ-XJKSGUPXSA-N 1 0 387.307 2.677 20 0 GFADRO C[N@H+](C[C@@H](O)COc1cc(Cl)cc(Cl)c1)C[C@@H]1CCNC(=O)CC1 ZINC000639918502 565267672 /nfs/dbraw/zinc/26/76/72/565267672.db2.gz LXIBTNGYGRCGRO-SWLSCSKDSA-N 1 0 375.296 2.581 20 0 GFADRO CCN(C(=O)c1cc(=O)c2cc(Br)ccc2[nH]1)[C@H]1CC[N@H+](CC)C1 ZINC000617927709 565267758 /nfs/dbraw/zinc/26/77/58/565267758.db2.gz BDYYVTWULZIMTD-ZDUSSCGKSA-N 1 0 392.297 2.847 20 0 GFADRO O=C(N[C@H]1CCC[NH2+]CC1)c1ccc(Cl)c(I)c1 ZINC000592330419 565270420 /nfs/dbraw/zinc/27/04/20/565270420.db2.gz NAPFAVCZKXRLTF-JTQLQIEISA-N 1 0 378.641 2.817 20 0 GFADRO CC(C)(C[NH2+]Cc1ccc(I)cc1)[C@@]1(O)CCOC1 ZINC000592374423 565272787 /nfs/dbraw/zinc/27/27/87/565272787.db2.gz GHKNDGXSRPMUGP-OAHLLOKOSA-N 1 0 375.250 2.558 20 0 GFADRO CO[C@H]1CN(CC(=O)Nc2ccc(Br)cc2Cl)[C@](C)(CO)C1 ZINC000639999489 565273342 /nfs/dbraw/zinc/27/33/42/565273342.db2.gz JZLZCHAYDIXCDL-ABAIWWIYSA-N 1 0 391.693 2.513 20 0 GFADRO CC(C)CNC(=O)CCC[N@H+](CCO)Cc1ccc(Br)s1 ZINC000660402764 565273531 /nfs/dbraw/zinc/27/35/31/565273531.db2.gz KEXKHRNSESCBBH-UHFFFAOYSA-N 1 0 377.348 2.857 20 0 GFADRO CC(C)(C(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1)c1ccc(Br)cc1 ZINC000592404764 565273830 /nfs/dbraw/zinc/27/38/30/565273830.db2.gz NDDBOQYFUKMJOZ-DLBZAZTESA-N 1 0 395.341 2.784 20 0 GFADRO COCCN(Cc1cc(Br)cs1)C[C@@H](O)C[N@H+](C)C(C)C ZINC000660411803 565274108 /nfs/dbraw/zinc/27/41/08/565274108.db2.gz XYYWRUVZMZXGLK-AWEZNQCLSA-N 1 0 379.364 2.660 20 0 GFADRO O=C(CC[NH+]1CCC(CCO)(CCO)CC1)Nc1ccc(Br)cc1 ZINC000640012548 565274417 /nfs/dbraw/zinc/27/44/17/565274417.db2.gz DYROOLFVIQEGKW-UHFFFAOYSA-N 1 0 399.329 2.625 20 0 GFADRO OC[C@@H]1C[N@H+](C[C@H](O)COc2c(Cl)cccc2Cl)C[C@H]1C(F)(F)F ZINC000640040880 565276502 /nfs/dbraw/zinc/27/65/02/565276502.db2.gz KGWXIXHVTFAMKU-GARJFASQSA-N 1 0 388.213 2.836 20 0 GFADRO O=C(CC[N@H+]1C[C@@H](CO)[C@H](C(F)(F)F)C1)Nc1cccc(Br)c1 ZINC000640043460 565276514 /nfs/dbraw/zinc/27/65/14/565276514.db2.gz FOHWVOGCFCZINR-GXFFZTMASA-N 1 0 395.219 2.880 20 0 GFADRO C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)N1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000640055014 565277135 /nfs/dbraw/zinc/27/71/35/565277135.db2.gz PHELPMPPMRGTBB-XJFOESAGSA-N 1 0 376.444 2.903 20 0 GFADRO CC(=O)NCCN(Cc1ccc(Cl)cc1Cl)C[C@H](O)C[N@@H+](C)C(C)C ZINC000660483019 565277684 /nfs/dbraw/zinc/27/76/84/565277684.db2.gz JASJSGUERFNZCX-QGZVFWFLSA-N 1 0 390.355 2.633 20 0 GFADRO CN(Cc1cccc(Br)c1)C(=O)c1cnn2c1[C@@H](C[NH3+])CCC2 ZINC000592485605 565278751 /nfs/dbraw/zinc/27/87/51/565278751.db2.gz JIZFMXVBTWLROI-CYBMUJFWSA-N 1 0 377.286 2.754 20 0 GFADRO O=C(N[C@H]1CC[NH2+]C12CCCC2)c1ccc(I)c(F)c1 ZINC000592569841 565282173 /nfs/dbraw/zinc/28/21/73/565282173.db2.gz FXHJXMZTIXZSDK-ZDUSSCGKSA-N 1 0 388.224 2.835 20 0 GFADRO CC[N@H+](CCNC(=O)N1CCOc2cc(Br)ccc2C1)C1CC1 ZINC000660585962 565284039 /nfs/dbraw/zinc/28/40/39/565284039.db2.gz CFUCOWZQIRKJJB-UHFFFAOYSA-N 1 0 382.302 2.837 20 0 GFADRO C[NH+](C)CC(C)(C)NC(=O)Nc1cc(N2CCOCC2)ccc1Br ZINC000640236305 565290780 /nfs/dbraw/zinc/29/07/80/565290780.db2.gz HQJGSGJNYIPZGP-UHFFFAOYSA-N 1 0 399.333 2.747 20 0 GFADRO C[NH+](C)[C@@]1(CNC(=O)NC[C@@H](OC2CCCC2)C(F)(F)F)CCSC1 ZINC000660823727 565295361 /nfs/dbraw/zinc/29/53/61/565295361.db2.gz HYRBHLOAZXBRSY-UKRRQHHQSA-N 1 0 383.480 2.613 20 0 GFADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)CCCCc1ccc(Br)cc1 ZINC000592793720 565296397 /nfs/dbraw/zinc/29/63/97/565296397.db2.gz HNZAQUWJWSDPRR-MRXNPFEDSA-N 1 0 396.373 2.914 20 0 GFADRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)Nc1nn(CC(F)(F)F)cc1Cl ZINC000640302637 565297003 /nfs/dbraw/zinc/29/70/03/565297003.db2.gz SZSMNKXTAUGCNA-CMPLNLGQSA-N 1 0 379.814 3.189 20 0 GFADRO O=C(Cn1cc(Br)cn1)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000618382275 565298150 /nfs/dbraw/zinc/29/81/50/565298150.db2.gz UCPJZEHPQMPRMB-UHFFFAOYSA-N 1 0 383.334 2.760 20 0 GFADRO CCCC[N@H+](C)CC1CCN(C(=O)Nc2nn(C)cc2Br)CC1 ZINC000640310137 565298682 /nfs/dbraw/zinc/29/86/82/565298682.db2.gz UNCIVMRLKPENPF-UHFFFAOYSA-N 1 0 386.338 3.158 20 0 GFADRO CN(CC[NH+]1CCCCC1)CC(=O)c1c[nH]c2ncc(Br)cc12 ZINC000660922434 565299253 /nfs/dbraw/zinc/29/92/53/565299253.db2.gz NUCWYXKFOPREQJ-UHFFFAOYSA-N 1 0 379.302 2.926 20 0 GFADRO CCCN(C(=O)c1cc(F)ccc1I)[C@@H]1CC[N@H+](C)C1 ZINC000592832132 565299825 /nfs/dbraw/zinc/29/98/25/565299825.db2.gz QXKYLBBOOPWYIM-GFCCVEGCSA-N 1 0 390.240 2.987 20 0 GFADRO Cc1ccccc1[C@H]([C@@H](C)NC(=O)Nc1nn(C)cc1Br)[NH+](C)C ZINC000640314732 565301082 /nfs/dbraw/zinc/30/10/82/565301082.db2.gz JOHRXHNQQIYAOV-DOMZBBRYSA-N 1 0 394.317 3.304 20 0 GFADRO CC[NH+](CC)[C@@H]1CCN(C(=O)Nc2nnc(C(F)(F)C(F)(F)F)s2)C1 ZINC000640384264 565304836 /nfs/dbraw/zinc/30/48/36/565304836.db2.gz MEOHPNOTYKYCMY-MRVPVSSYSA-N 1 0 387.378 3.140 20 0 GFADRO CCC(CC)[C@@H](CNS(=O)(=O)c1ccc([C@H](C)NC(C)=O)s1)[NH+](C)C ZINC000618540094 565305563 /nfs/dbraw/zinc/30/55/63/565305563.db2.gz SSJMPFAZRWSMQA-SWLSCSKDSA-N 1 0 389.587 2.590 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)Nc1ccn(C2CCSCC2)n1)c1ccsc1 ZINC000640432071 565309083 /nfs/dbraw/zinc/30/90/83/565309083.db2.gz ZUMHUAAZTXYVDI-HNNXBMFYSA-N 1 0 379.555 3.437 20 0 GFADRO CCC[N@@H+]1CC[C@H](NC(=O)N[C@H]2COc3cc(F)c(Br)cc32)C1 ZINC000661136073 565309204 /nfs/dbraw/zinc/30/92/04/565309204.db2.gz HVYOVBODHMSTHV-HZMBPMFUSA-N 1 0 386.265 2.805 20 0 GFADRO Clc1ccc(-n2cc(CN3CC[C@@H](Cn4ccnn4)C3)nn2)cc1Cl ZINC000661146115 565310517 /nfs/dbraw/zinc/31/05/17/565310517.db2.gz QRXUHYPSCFNKPL-GFCCVEGCSA-N 1 0 378.267 2.688 20 0 GFADRO CO[C@@H]1CCC[C@H]([C@@H](CO)[NH2+]Cc2nc3ccc(Br)cc3n2C)C1 ZINC000661213337 565314107 /nfs/dbraw/zinc/31/41/07/565314107.db2.gz AHYNZPDPXOHLKA-JGGQBBKZSA-N 1 0 396.329 2.992 20 0 GFADRO CO[C@@H]1CCC[C@@H]([C@H](CO)[NH2+]CC(=O)Nc2ccc(C)cc2Br)C1 ZINC000661216831 565314244 /nfs/dbraw/zinc/31/42/44/565314244.db2.gz HYIWEIJDYHVEIC-CPUCHLNUSA-N 1 0 399.329 2.852 20 0 GFADRO COC(=O)[C@@H]1C[N@H+](C[C@@H](O)COc2ccc(Cl)c(Cl)c2)C[C@H]1C1CC1 ZINC000593127511 565314654 /nfs/dbraw/zinc/31/46/54/565314654.db2.gz XSFNLACNIKDJFL-VHDGCEQUSA-N 1 0 388.291 2.864 20 0 GFADRO COC(=O)[C@@H]1C[N@@H+]([C@H](C)C(=O)Nc2ccc(Br)cc2)C[C@H]1C1CC1 ZINC000593130754 565315237 /nfs/dbraw/zinc/31/52/37/565315237.db2.gz JHIXJCOQDGWDEK-XFBWCDHKSA-N 1 0 395.297 2.907 20 0 GFADRO CO[C@@H]1CCC[C@H]([C@H](CO)[NH2+]Cc2cn3cc(Br)ccc3n2)C1 ZINC000661217309 565315323 /nfs/dbraw/zinc/31/53/23/565315323.db2.gz HYSXWWLGUYGIIL-MAZHCROVSA-N 1 0 382.302 2.753 20 0 GFADRO CC[NH+]1CCN(CC(=O)Nc2ccc(Br)cc2NC(C)C)CC1 ZINC000618883279 565320339 /nfs/dbraw/zinc/32/03/39/565320339.db2.gz NTUXBRPXPNOYDM-UHFFFAOYSA-N 1 0 383.334 2.845 20 0 GFADRO C[C@@H](C[NH+]1CCOCC1)C(=O)Nc1ccc(Br)c2ncccc12 ZINC000618877459 565320562 /nfs/dbraw/zinc/32/05/62/565320562.db2.gz QHEBCSSUBMNEKM-LBPRGKRZSA-N 1 0 378.270 2.904 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)NCC(=O)Nc1ccc(Br)cc1 ZINC000661394832 565322652 /nfs/dbraw/zinc/32/26/52/565322652.db2.gz AJBPSGQOQIIYLI-CQSZACIVSA-N 1 0 397.317 2.560 20 0 GFADRO CC[C@H]([NH2+]C[C@@]1(O)CCO[C@@H]1C)c1ccc(I)cc1 ZINC000618992035 565323932 /nfs/dbraw/zinc/32/39/32/565323932.db2.gz AXEMBBCPALGRQW-UGFHNGPFSA-N 1 0 375.250 2.872 20 0 GFADRO CCC[N@H+](C)[C@@H](CNC(=O)N1C[C@@H]2C[C@H]1C[S@@]2=O)c1ccc(Cl)cc1 ZINC000593404856 565330081 /nfs/dbraw/zinc/33/00/81/565330081.db2.gz WIDRDTMMTFUNML-YIUJLJBFSA-N 1 0 383.945 2.638 20 0 GFADRO O=C(CC[N@@H+]1CC[C@@H]2NC(=O)CC[C@@H]2C1)Nc1ccc(Br)cc1F ZINC000661606115 565330604 /nfs/dbraw/zinc/33/06/04/565330604.db2.gz GOGNHOHJTHHDMD-RISCZKNCSA-N 1 0 398.276 2.517 20 0 GFADRO C[C@H](NC(=O)Cn1cc([C@H]([NH3+])C(C)(C)C)nn1)c1ccc(Br)cc1 ZINC000640846632 565330859 /nfs/dbraw/zinc/33/08/59/565330859.db2.gz CHQJZXUKQKPFJE-ZBEGNZNMSA-N 1 0 394.317 2.964 20 0 GFADRO C[C@@H]1C[N@@H+](C[C@@H](O)COc2ccc(Cl)cc2Br)C[C@H](C)[C@H]1O ZINC000661631028 565331962 /nfs/dbraw/zinc/33/19/62/565331962.db2.gz MQGITRWUUMFXSS-WNCDQNTKSA-N 1 0 392.721 2.791 20 0 GFADRO C[NH+](C)C[C@H]1CCN(c2ncnc3cc(I)sc32)C1 ZINC000593462804 565332008 /nfs/dbraw/zinc/33/20/08/565332008.db2.gz GMGFGZMZSJJUKA-SECBINFHSA-N 1 0 388.278 2.684 20 0 GFADRO Ic1cc2ncnc(N3CC[NH+]4CCC3CC4)c2s1 ZINC000593475381 565335905 /nfs/dbraw/zinc/33/59/05/565335905.db2.gz JXLBQJADDQKDGF-UHFFFAOYSA-N 1 0 386.262 2.580 20 0 GFADRO CCC(C)(C)NC(=O)[C@H](C)n1cc([C@H]([NH3+])c2ccc(Br)cc2)nn1 ZINC000640908766 565336270 /nfs/dbraw/zinc/33/62/70/565336270.db2.gz GNIUJBINKORVBH-XHDPSFHLSA-N 1 0 394.317 2.955 20 0 GFADRO CC[C@@H]([NH3+])c1cn([C@H](C)C(=O)N(C)Cc2ccc(Br)cc2)nn1 ZINC000640926676 565337201 /nfs/dbraw/zinc/33/72/01/565337201.db2.gz RPWTYHLXJZFCNB-BXUZGUMPSA-N 1 0 380.290 2.670 20 0 GFADRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)N1CCc2[nH]c3c(cccc3Br)c2C1 ZINC000640941529 565338408 /nfs/dbraw/zinc/33/84/08/565338408.db2.gz HMYJXPXGPSNMOW-MEDUHNTESA-N 1 0 391.313 2.996 20 0 GFADRO COc1ccc(Cn2cc([C@H]3CCC[NH2+]C3)nn2)c(Br)c1OC ZINC000640989424 565340206 /nfs/dbraw/zinc/34/02/06/565340206.db2.gz KXORNBXIKBYSFJ-NSHDSACASA-N 1 0 381.274 2.573 20 0 GFADRO CC[C@H]([NH2+]C[C@H](CO)[C@H]1CCOC1)c1ccc(I)cc1 ZINC000619508779 565345982 /nfs/dbraw/zinc/34/59/82/565345982.db2.gz HAJMLKUXJMDTDM-LZWOXQAQSA-N 1 0 389.277 2.977 20 0 GFADRO CS[C@@H]1CN(C(=O)[C@H](C[C@@H]2CCCO2)C(F)(F)F)C[C@H]1[NH+]1CCCC1 ZINC000593602281 565346257 /nfs/dbraw/zinc/34/62/57/565346257.db2.gz NTTBBTRVDLWTPQ-BYNSBNAKSA-N 1 0 380.476 2.772 20 0 GFADRO C[C@H](C(=O)Nc1ccc(Br)cc1)[N@@H+]1CC[C@@H](CN2CCCC2=O)C1 ZINC000662053940 565347806 /nfs/dbraw/zinc/34/78/06/565347806.db2.gz BTYLSFDJXXBGRR-ZIAGYGMSSA-N 1 0 394.313 2.720 20 0 GFADRO C[N@H+](CCN1CCCC1=O)Cc1ccc(I)c(Cl)c1 ZINC000619552563 565348430 /nfs/dbraw/zinc/34/84/30/565348430.db2.gz KEMWNNDUPHDZHA-UHFFFAOYSA-N 1 0 392.668 2.999 20 0 GFADRO CCC[C@@H]([NH3+])c1cn([C@@H]2CCc3cc(Br)ccc3NC2=O)nn1 ZINC000641164477 565350937 /nfs/dbraw/zinc/35/09/37/565350937.db2.gz OUBNAXSNYCPKNG-IUODEOHRSA-N 1 0 378.274 2.967 20 0 GFADRO CC(C)NC(=O)[C@H]1CCC[N@H+](C[C@@H](O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000662117297 565351537 /nfs/dbraw/zinc/35/15/37/565351537.db2.gz DCVGNEJORDONMU-UONOGXRCSA-N 1 0 389.323 2.970 20 0 GFADRO CCC[N@H+](C)CC(C)(C)NCc1cc(=O)n2cc(Br)ccc2n1 ZINC000662174793 565352493 /nfs/dbraw/zinc/35/24/93/565352493.db2.gz GBFHETIZPGUWHL-UHFFFAOYSA-N 1 0 381.318 2.667 20 0 GFADRO C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000662153441 565352930 /nfs/dbraw/zinc/35/29/30/565352930.db2.gz BJWAJBJEAMXYDW-WFASDCNBSA-N 1 0 386.323 2.851 20 0 GFADRO COC(=O)[C@@H]1C[N@H+](Cc2cc(O)c(OC)cc2Br)C[C@H]1C1CC1 ZINC000593698191 565356912 /nfs/dbraw/zinc/35/69/12/565356912.db2.gz ZSZURLWZNRPHBB-QWHCGFSZSA-N 1 0 384.270 2.794 20 0 GFADRO COC(=O)[C@@H]1C[N@H+](Cc2cn3ccc(Br)cc3n2)C[C@H]1C1CC1 ZINC000593697212 565357338 /nfs/dbraw/zinc/35/73/38/565357338.db2.gz RFPBJYRFSFSVFP-LSDHHAIUSA-N 1 0 378.270 2.728 20 0 GFADRO CCC[N@@H+]1CC[C@@H](NC(=O)CSc2nnc(-c3cccs3)n2CC)C1 ZINC000619894364 565362372 /nfs/dbraw/zinc/36/23/72/565362372.db2.gz WZPORXSVGXHDFG-CYBMUJFWSA-N 1 0 379.555 2.719 20 0 GFADRO COc1ccc([C@@H](C)NC(=O)c2c[nH]nc2[C@@H]2CC[NH2+]C2)cc1Br ZINC000662357121 565362836 /nfs/dbraw/zinc/36/28/36/565362836.db2.gz ZLOIDQATDNVNNT-ZYHUDNBSSA-N 1 0 393.285 2.749 20 0 GFADRO C[C@@H](CNC(=O)c1sc2c(c1Br)CNC2)[N@@H+]1CCC[C@H](C)C1 ZINC000662387174 565363997 /nfs/dbraw/zinc/36/39/97/565363997.db2.gz IUNPPTHYADURHP-QWRGUYRKSA-N 1 0 386.359 2.964 20 0 GFADRO COc1ccccc1[C@H]([NH3+])CNC(=O)c1nn(C(C)(C)C)cc1Br ZINC000662396915 565364599 /nfs/dbraw/zinc/36/45/99/565364599.db2.gz PFZMELDWBIZESJ-CYBMUJFWSA-N 1 0 395.301 2.839 20 0 GFADRO C[C@@H]1CCCN(C(=O)Cc2ccc(I)cc2)[C@@H]1CC[NH3+] ZINC000593917647 565367266 /nfs/dbraw/zinc/36/72/66/565367266.db2.gz XGXWCYMRAWOBRQ-IUODEOHRSA-N 1 0 386.277 2.810 20 0 GFADRO CCOC(=O)[C@@H](Cc1cc(Cl)cc(Cl)c1)NC(=O)[C@H]1CCC[NH2+]CC1 ZINC000593905234 565367613 /nfs/dbraw/zinc/36/76/13/565367613.db2.gz AKTKEGZLQVVITP-XJKSGUPXSA-N 1 0 387.307 2.974 20 0 GFADRO CC[NH+]1CCC(CCNC(=O)c2sc3c(c2Br)CNC3)CC1 ZINC000662477043 565371407 /nfs/dbraw/zinc/37/14/07/565371407.db2.gz RGJXQJOYTGGDQV-UHFFFAOYSA-N 1 0 386.359 2.966 20 0 GFADRO [NH3+]C[C@@H]1OCC[C@@H]1C(=O)Nc1ncc(Cc2cccc(Br)c2)s1 ZINC000662535357 565374390 /nfs/dbraw/zinc/37/43/90/565374390.db2.gz RDTNXSPOTPUQDF-KBPBESRZSA-N 1 0 396.310 2.799 20 0 GFADRO COc1cnc(N2CCC([NH+]3CCN(C(C)C)CC3)CC2)c(Br)c1 ZINC000641463872 565375075 /nfs/dbraw/zinc/37/50/75/565375075.db2.gz BASKQKNWWYSVIM-UHFFFAOYSA-N 1 0 397.361 2.848 20 0 GFADRO Cc1ccc(CN(C[C@@H]2CCCO2)C(=O)NC[C@H](C)[NH3+])c(Br)c1 ZINC000641476596 565375839 /nfs/dbraw/zinc/37/58/39/565375839.db2.gz SKGAKYCEOMOITL-ZFWWWQNUSA-N 1 0 384.318 2.795 20 0 GFADRO CCO[C@@H]1CN(C(=O)c2cc(-c3ccc(Br)cc3)no2)C[C@H]1C[NH3+] ZINC000662581111 565378268 /nfs/dbraw/zinc/37/82/68/565378268.db2.gz BLSINWCVKZVNNP-MLGOLLRUSA-N 1 0 394.269 2.540 20 0 GFADRO COC(=O)c1cc(Br)cc(C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)c1 ZINC000594198676 565378341 /nfs/dbraw/zinc/37/83/41/565378341.db2.gz USPNWEJQSGYZRL-JKSUJKDBSA-N 1 0 395.297 2.982 20 0 GFADRO C[C@H]1CC2(CN1C(=O)c1cc(Br)cc3c1OCCO3)CC[NH2+]CC2 ZINC000662579983 565378307 /nfs/dbraw/zinc/37/83/07/565378307.db2.gz LTIORYLJUGIURY-LBPRGKRZSA-N 1 0 395.297 2.825 20 0 GFADRO O=C(Cc1ccccc1I)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000594197528 565378490 /nfs/dbraw/zinc/37/84/90/565378490.db2.gz OYZWUKNBEYDEOB-HOTGVXAUSA-N 1 0 398.288 2.967 20 0 GFADRO N[C@H](C(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1)c1ccccc1Br ZINC000662575805 565378580 /nfs/dbraw/zinc/37/85/80/565378580.db2.gz QSBHEHQIBQGTNX-UAGQMJEPSA-N 1 0 392.272 2.541 20 0 GFADRO C[C@@H](CNC(=O)c1cc(C(C)(C)[NH3+])no1)Oc1ccccc1Br ZINC000662632469 565379911 /nfs/dbraw/zinc/37/99/11/565379911.db2.gz QGIWFRIYOVAQJF-JTQLQIEISA-N 1 0 382.258 2.828 20 0 GFADRO [NH3+]C1CCC(OCC(=O)N2CCN(c3ccc(Cl)cc3Cl)CC2)CC1 ZINC000662637735 565380002 /nfs/dbraw/zinc/38/00/02/565380002.db2.gz XIZYAMUDXWKPKV-UHFFFAOYSA-N 1 0 386.323 2.929 20 0 GFADRO O=C(N1CCN(c2ncc(Cl)cc2Cl)CC1)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662673832 565382124 /nfs/dbraw/zinc/38/21/24/565382124.db2.gz SHRDEEVNBXIJTI-CQSZACIVSA-N 1 0 397.228 2.579 20 0 GFADRO N[C@H](C(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1)c1ccccc1Br ZINC000662684958 565382257 /nfs/dbraw/zinc/38/22/57/565382257.db2.gz MDSDURZHMVPTTD-IRXDYDNUSA-N 1 0 390.281 2.749 20 0 GFADRO CC(C)[C@H]([NH3+])CCNC(=O)[C@H](c1ccc(Cl)cc1Cl)N1CCOCC1 ZINC000662730424 565382841 /nfs/dbraw/zinc/38/28/41/565382841.db2.gz ZYNBQWJYHGMWPT-SJORKVTESA-N 1 0 388.339 2.856 20 0 GFADRO Cc1ccc(Br)c(S(=O)(=O)N2CCC3(C2)CC[NH+](C)CC3)c1 ZINC000641585794 565384886 /nfs/dbraw/zinc/38/48/86/565384886.db2.gz DCAAAJOVSMYRNW-UHFFFAOYSA-N 1 0 387.343 2.864 20 0 GFADRO O=C([C@H]1CCc2cc(Br)ccc21)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000620474139 565385182 /nfs/dbraw/zinc/38/51/82/565385182.db2.gz DTDHQYATPBAXTQ-AEFFLSMTSA-N 1 0 393.325 2.537 20 0 GFADRO O=C(c1sc2c(c1Br)CNC2)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000662813467 565385599 /nfs/dbraw/zinc/38/55/99/565385599.db2.gz NENLKSHYZUOULM-CMPLNLGQSA-N 1 0 384.343 2.718 20 0 GFADRO O=C(N1CCN(c2ccc(F)cc2Cl)CC1)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662802925 565386136 /nfs/dbraw/zinc/38/61/36/565386136.db2.gz MQKXUMUVEGPXEB-HNNXBMFYSA-N 1 0 379.785 2.670 20 0 GFADRO O=C(c1cc(-c2ccc(Cl)s2)on1)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000620487012 565386125 /nfs/dbraw/zinc/38/61/25/565386125.db2.gz QGFYCIVUPMVGGT-LBPRGKRZSA-N 1 0 381.885 2.728 20 0 GFADRO O=C(C(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1)c1ccc(Br)cc1 ZINC000662843213 565387524 /nfs/dbraw/zinc/38/75/24/565387524.db2.gz RDGNDCRVGSHFBQ-OAHLLOKOSA-N 1 0 379.298 2.870 20 0 GFADRO CN(CC(C)(C)[NH3+])C(=O)C(=O)N1CCC(Sc2ccc(Cl)cc2)CC1 ZINC000662939987 565389271 /nfs/dbraw/zinc/38/92/71/565389271.db2.gz CYIIHTVFQWBEQW-UHFFFAOYSA-N 1 0 383.945 2.619 20 0 GFADRO C[C@]1(NC(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)c(Cl)c3)C2)CC[NH2+]C1 ZINC000663009388 565391816 /nfs/dbraw/zinc/39/18/16/565391816.db2.gz SWCPOQHWPIMCFP-ACJLOTCBSA-N 1 0 384.307 2.714 20 0 GFADRO O[C@@H](C[NH2+]Cc1cc(Br)sc1Br)[C@@H]1CCCO1 ZINC000641775631 565398656 /nfs/dbraw/zinc/39/86/56/565398656.db2.gz NSZJEODVXKGISV-IUCAKERBSA-N 1 0 385.121 2.903 20 0 GFADRO Cc1c(Br)cncc1C(=O)N1CC2(CCCC2)OC[C@@H]1C[NH+](C)C ZINC000620917916 565402339 /nfs/dbraw/zinc/40/23/39/565402339.db2.gz PDGGQLYNTOCNJW-AWEZNQCLSA-N 1 0 396.329 2.868 20 0 GFADRO COc1ccc(C(=O)N2CCO[C@H](CCC[NH+](C)C)C2)cc1Br ZINC000620963229 565402435 /nfs/dbraw/zinc/40/24/35/565402435.db2.gz AUYDIHMNMQISOP-CQSZACIVSA-N 1 0 385.302 2.641 20 0 GFADRO COC(=O)c1cc(C[NH2+]CCCS(=O)(=O)c2ccc(Cl)cc2)c(C)o1 ZINC000594610755 565403059 /nfs/dbraw/zinc/40/30/59/565403059.db2.gz TXAHHJKJOYOGLW-UHFFFAOYSA-N 1 0 385.869 2.982 20 0 GFADRO C[NH+](C)CCC[C@@H]1CN(C(=O)c2cc(F)c(F)cc2Br)CCO1 ZINC000620971148 565403458 /nfs/dbraw/zinc/40/34/58/565403458.db2.gz DBGWBUHCKRCPEG-LLVKDONJSA-N 1 0 391.256 2.910 20 0 GFADRO CC(C)[C@H]1CN(C(=O)CSc2nnc(-c3ccc(Cl)cc3)o2)CC[NH2+]1 ZINC000621147871 565408166 /nfs/dbraw/zinc/40/81/66/565408166.db2.gz AVNJKRMMVYGYJJ-CQSZACIVSA-N 1 0 380.901 2.939 20 0 GFADRO CC(C)[C@@H]1CN(C(=O)c2ccn(-c3ccc(Br)cc3)n2)CC[NH2+]1 ZINC000621159921 565408178 /nfs/dbraw/zinc/40/81/78/565408178.db2.gz VKDZUETUFPVSMD-INIZCTEOSA-N 1 0 377.286 2.705 20 0 GFADRO C[C@H](CNC(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1)[NH+](C)C ZINC000642212661 565409008 /nfs/dbraw/zinc/40/90/08/565409008.db2.gz PJFIYNMVDUNPJK-OCCSQVGLSA-N 1 0 386.323 2.912 20 0 GFADRO O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cc(Br)c[nH]c1=O ZINC000621243935 565410441 /nfs/dbraw/zinc/41/04/41/565410441.db2.gz XBMZJVBRVKWSNI-CQSZACIVSA-N 1 0 376.254 2.554 20 0 GFADRO C[C@@]1(NS(=O)(=O)c2cc(Cl)c(Cl)cc2Br)CC[NH2+]C1 ZINC000663312033 565411381 /nfs/dbraw/zinc/41/13/81/565411381.db2.gz SWWPEGAYJANJQX-LLVKDONJSA-N 1 0 388.114 2.786 20 0 GFADRO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)c1cc(Br)c[nH]c1=O ZINC000621249805 565412139 /nfs/dbraw/zinc/41/21/39/565412139.db2.gz CNPVKSHMNDUOLC-ZDUSSCGKSA-N 1 0 380.242 2.710 20 0 GFADRO C[C@]1(NS(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[NH2+]C1 ZINC000663313670 565412429 /nfs/dbraw/zinc/41/24/29/565412429.db2.gz MAEFWNMUYLQOAY-NSHDSACASA-N 1 0 376.322 2.755 20 0 GFADRO CN(Cc1c(F)cccc1Cl)S(=O)(=O)NCC1([NH+](C)C)CCCC1 ZINC000642515646 565413614 /nfs/dbraw/zinc/41/36/14/565413614.db2.gz CJRVSVZLZMNOMV-UHFFFAOYSA-N 1 0 377.913 2.620 20 0 GFADRO COc1cc(CN2CCC[C@H]([NH+]3CCOCC3)CC2)c(Br)cn1 ZINC000621289358 565415719 /nfs/dbraw/zinc/41/57/19/565415719.db2.gz CUWOIUROEBYUDO-HNNXBMFYSA-N 1 0 384.318 2.539 20 0 GFADRO CC[C@@H]1CN(C(=O)C(=O)NC[C@H](C)c2c(Cl)cccc2Cl)CC[C@H]1[NH3+] ZINC000642756874 565417610 /nfs/dbraw/zinc/41/76/10/565417610.db2.gz QGPANKUKUFZNLP-YWPYICTPSA-N 1 0 386.323 2.799 20 0 GFADRO O=C(NC[C@@H]1CCCC[NH2+]1)C(=O)N(Cc1cccs1)Cc1cccs1 ZINC000642904030 565418656 /nfs/dbraw/zinc/41/86/56/565418656.db2.gz QEECRCJCEXBQNC-AWEZNQCLSA-N 1 0 377.535 2.597 20 0 GFADRO C[C@@]1(NC(=O)Nc2nnc(-c3cccc(Br)c3)s2)CC[NH2+]C1 ZINC000663588707 565427183 /nfs/dbraw/zinc/42/71/83/565427183.db2.gz DDCXZNGIIDXDCB-CQSZACIVSA-N 1 0 382.287 2.841 20 0 GFADRO C[C@H]1C[NH+](CCCCNc2nnc3ccc(Br)cn32)C[C@H](C)O1 ZINC000663705598 565431521 /nfs/dbraw/zinc/43/15/21/565431521.db2.gz SDYOQWZPBADWCO-STQMWFEESA-N 1 0 382.306 2.793 20 0 GFADRO C[C@H]1CN(c2nc(C3CC3)ncc2Br)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000663754607 565434081 /nfs/dbraw/zinc/43/40/81/565434081.db2.gz FDGFVRMPFYDKIV-BBRMVZONSA-N 1 0 394.361 2.579 20 0 GFADRO O=C(CC[C@@H]1CCC[NH2+]C1)N[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000621645938 565434766 /nfs/dbraw/zinc/43/47/66/565434766.db2.gz NZQKKMQCCFRHTJ-HOCLYGCPSA-N 1 0 380.330 2.924 20 0 GFADRO OC[C@H](C[NH2+]Cc1cc(Cl)ccc1I)[C@H]1CCOC1 ZINC000594939042 565435591 /nfs/dbraw/zinc/43/55/91/565435591.db2.gz ZOWJYKSILAVRBX-JQWIXIFHSA-N 1 0 395.668 2.679 20 0 GFADRO COC(=O)COc1cccc(C[NH2+]Cc2cncc(Br)c2C)c1 ZINC000594923801 565435868 /nfs/dbraw/zinc/43/58/68/565435868.db2.gz LXYKDPGFLCRYOM-UHFFFAOYSA-N 1 0 379.254 2.994 20 0 GFADRO CCOC(=O)c1csc(CC[NH2+]Cc2c(F)cncc2Br)n1 ZINC000594940956 565435979 /nfs/dbraw/zinc/43/59/79/565435979.db2.gz WNKSCAUFRYFUFM-UHFFFAOYSA-N 1 0 388.262 2.949 20 0 GFADRO COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000594936576 565436155 /nfs/dbraw/zinc/43/61/55/565436155.db2.gz FIJNUCDHODAHOB-IUIKQTSFSA-N 1 0 378.270 2.922 20 0 GFADRO [NH3+][C@]12CCC[C@@H]1CN(C(=O)c1cc(=O)[nH]c3ccc(Br)cc31)C2 ZINC000621689408 565437220 /nfs/dbraw/zinc/43/72/20/565437220.db2.gz HLYHKNFDTISWSW-QGHHPUGFSA-N 1 0 376.254 2.656 20 0 GFADRO COc1cc(C[NH2+][C@H]2COC(C)(C)C2)cc(I)c1OC ZINC000594965161 565438184 /nfs/dbraw/zinc/43/81/84/565438184.db2.gz QTKSLGJUIGXEEV-LLVKDONJSA-N 1 0 391.249 2.966 20 0 GFADRO O[C@@H]1C[C@H]([NH2+]Cc2c(F)ccc(I)c2F)C12CCC2 ZINC000594986850 565439522 /nfs/dbraw/zinc/43/95/22/565439522.db2.gz IDAADBXUCGAHBP-NWDGAFQWSA-N 1 0 379.188 2.963 20 0 GFADRO C[C@H](CN1CC[NH+](C)CC1)N[C@H](c1ccc(Br)cc1)C(F)F ZINC000621751559 565439649 /nfs/dbraw/zinc/43/96/49/565439649.db2.gz IUYQDJNCHFUDNY-IUODEOHRSA-N 1 0 376.289 2.981 20 0 GFADRO Cn1nnc2cc(C[NH2+]CCc3ccc(I)cc3)ccc21 ZINC000594997542 565441163 /nfs/dbraw/zinc/44/11/63/565441163.db2.gz YWWANGKNJMAXIN-UHFFFAOYSA-N 1 0 392.244 2.905 20 0 GFADRO O=C(CCC[NH2+][C@H]1CCc2ccc(I)cc21)NC1CC1 ZINC000595013694 565442662 /nfs/dbraw/zinc/44/26/62/565442662.db2.gz RKAAGLSZBKEWJH-HNNXBMFYSA-N 1 0 384.261 2.927 20 0 GFADRO Ic1ccc(OCC[NH2+][C@@H]2CCCn3nccc32)cc1 ZINC000595038443 565444575 /nfs/dbraw/zinc/44/45/75/565444575.db2.gz KADAFFXPGPKGBQ-CQSZACIVSA-N 1 0 383.233 2.991 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCN(C(=O)NCC(F)(F)c2ccc(Br)cc2)C1 ZINC000621851304 565444910 /nfs/dbraw/zinc/44/49/10/565444910.db2.gz QJTLWHLGOIDKNN-QWRGUYRKSA-N 1 0 376.245 2.920 20 0 GFADRO COC(=O)CC(C)(C)C[C@@H](C)[NH2+]C1CCN(S(=O)(=O)C(C)(C)C)CC1 ZINC000595037647 565445097 /nfs/dbraw/zinc/44/50/97/565445097.db2.gz BCUAPIMNQNLELD-CQSZACIVSA-N 1 0 376.563 2.537 20 0 GFADRO O=C(NCC(F)(F)c1ccc(Br)cc1)N[C@H]1CC12CC[NH2+]CC2 ZINC000621850323 565445164 /nfs/dbraw/zinc/44/51/64/565445164.db2.gz UFFGDYJAPOGUPD-ZDUSSCGKSA-N 1 0 388.256 2.982 20 0 GFADRO COC(=O)CC(C)(C)C[C@@H](C)[NH2+][C@H](C(N)=O)c1cccc(Br)c1 ZINC000595044910 565445712 /nfs/dbraw/zinc/44/57/12/565445712.db2.gz ADKGQFOBMGFBAC-ABAIWWIYSA-N 1 0 385.302 2.933 20 0 GFADRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)c2cc3c(cc2Br)OCO3)C1 ZINC000621909896 565448413 /nfs/dbraw/zinc/44/84/13/565448413.db2.gz PCYPKJASJDXMFE-GFCCVEGCSA-N 1 0 383.286 2.886 20 0 GFADRO C[C@H]1CCCN(C(=O)c2cn(-c3ccc(Br)cc3)cn2)[C@@H]1C[NH3+] ZINC000644063623 565456249 /nfs/dbraw/zinc/45/62/49/565456249.db2.gz OENGNKNFOHAFKI-BLLLJJGKSA-N 1 0 377.286 2.834 20 0 GFADRO COc1ccc(Br)cc1OCC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000622023101 565456183 /nfs/dbraw/zinc/45/61/83/565456183.db2.gz BCDUUBRTYVPVLA-UHFFFAOYSA-N 1 0 383.286 2.580 20 0 GFADRO CCN(C(=O)NC[C@@H](C)Oc1ccc(Br)cc1)[C@H]1CC[N@H+](C)C1 ZINC000664255592 565456348 /nfs/dbraw/zinc/45/63/48/565456348.db2.gz OMXGLJSJPWFWDE-HIFRSBDPSA-N 1 0 384.318 2.952 20 0 GFADRO CCN(C(=O)NC[C@@H](C)Oc1cccc(Br)c1)[C@H]1CC[N@H+](C)C1 ZINC000664251946 565456938 /nfs/dbraw/zinc/45/69/38/565456938.db2.gz WSVTYKFXNBAJOF-HIFRSBDPSA-N 1 0 384.318 2.952 20 0 GFADRO [NH3+]CC12CC(C1)CN2C(=O)Nc1cc(F)c(F)cc1I ZINC000595234279 565457103 /nfs/dbraw/zinc/45/71/03/565457103.db2.gz AJGWXTSKAOZCQY-UHFFFAOYSA-N 1 0 393.175 2.524 20 0 GFADRO COc1ccc(I)c(NC(=O)NCC[C@@H]([NH3+])C(C)C)c1 ZINC000595230321 565457160 /nfs/dbraw/zinc/45/71/60/565457160.db2.gz XPTRRJPJFHWGNK-GFCCVEGCSA-N 1 0 391.253 2.795 20 0 GFADRO CCN(C(=O)NCCOc1ncc(Cl)cc1Cl)[C@@H]1CC[N@H+](CC)C1 ZINC000664445987 565463498 /nfs/dbraw/zinc/46/34/98/565463498.db2.gz VAAQUMPHDUZZKO-CYBMUJFWSA-N 1 0 375.300 2.893 20 0 GFADRO COC(=O)[C@@H](c1ccc(Cl)c(Cl)c1)N(C)C[C@@H](O)C[N@H+](C)C(C)C ZINC000595370003 565469782 /nfs/dbraw/zinc/46/97/82/565469782.db2.gz JHDTZLCHLJRAQL-XJKSGUPXSA-N 1 0 377.312 2.840 20 0 GFADRO Cc1ccc(O[C@@H](C)C(=O)Nc2cnn(CC[NH+](C)C)c2)c(Br)c1 ZINC000622403866 565471210 /nfs/dbraw/zinc/47/12/10/565471210.db2.gz XBSAUWGEFOXDJF-ZDUSSCGKSA-N 1 0 395.301 2.922 20 0 GFADRO C[C@@H](Oc1ccc(Cl)c(Cl)c1)C(=O)NC1(CCO)CC[NH+](C)CC1 ZINC000622490243 565471250 /nfs/dbraw/zinc/47/12/50/565471250.db2.gz NUAQWZUWUPOXSW-GFCCVEGCSA-N 1 0 375.296 2.724 20 0 GFADRO C[N@@H+]1C[C@H]2CCN(S(=O)(=O)c3ccc4cc(Br)ccc4c3)[C@H]2C1 ZINC000644299854 565471266 /nfs/dbraw/zinc/47/12/66/565471266.db2.gz LQJSOVYPNJLDNH-PBHICJAKSA-N 1 0 395.322 2.927 20 0 GFADRO CC[N@H+](CCNC(=O)N1C[C@@H](C)O[C@](C)(C(F)F)C1)CCC(F)(F)F ZINC000664747052 565477142 /nfs/dbraw/zinc/47/71/42/565477142.db2.gz LMYFZESPHAVXCH-RISCZKNCSA-N 1 0 375.382 2.715 20 0 GFADRO C[NH+](C)CCC[C@@H]1CN(C(=O)NCc2ccsc2Br)CCO1 ZINC000664838971 565481434 /nfs/dbraw/zinc/48/14/34/565481434.db2.gz WXRJFTYKSDOLAP-CYBMUJFWSA-N 1 0 390.347 2.763 20 0 GFADRO O=C1CCCCN1CCC[NH2+]C[C@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000644550421 565481919 /nfs/dbraw/zinc/48/19/19/565481919.db2.gz VNQPDRYTFQYYEL-ZDUSSCGKSA-N 1 0 375.296 2.725 20 0 GFADRO CC[C@H](CN1CCCC1)[NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000644569470 565482961 /nfs/dbraw/zinc/48/29/61/565482961.db2.gz RHODJGNRHCDBOB-HZPDHXFCSA-N 1 0 389.309 2.792 20 0 GFADRO CC(=O)N1CCC[C@H](C[NH2+]CCC(=O)Nc2cccc(Br)c2)C1 ZINC000644636478 565486029 /nfs/dbraw/zinc/48/60/29/565486029.db2.gz UFZWFFPSXSGWGU-CQSZACIVSA-N 1 0 382.302 2.626 20 0 GFADRO CCOC[C@H]([NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1)C(C)C ZINC000644630994 565486227 /nfs/dbraw/zinc/48/62/27/565486227.db2.gz VENHQZRQGPYNRM-ZBFHGGJFSA-N 1 0 378.282 2.979 20 0 GFADRO C[N@H+](C[C@H](O)CN[C@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O)C1CC1 ZINC000644631160 565486827 /nfs/dbraw/zinc/48/68/27/565486827.db2.gz HPBZBKQAEIKUCL-ZBFHGGJFSA-N 1 0 386.323 2.534 20 0 GFADRO CCCN1C[C@@H](C[NH2+]C[C@H](O)COc2ccc(Cl)c(Cl)c2)CC1=O ZINC000644673259 565488485 /nfs/dbraw/zinc/48/84/85/565488485.db2.gz ACBVUDHURCUKSO-OLZOCXBDSA-N 1 0 375.296 2.581 20 0 GFADRO CC(C)(C)OC(=O)[C@]12COC[C@H]1CN(Cc1nc(C(F)(F)F)cs1)C2 ZINC000595723585 565488620 /nfs/dbraw/zinc/48/86/20/565488620.db2.gz RYXDQLDTRJQOTG-MEBBXXQBSA-N 1 0 378.416 2.952 20 0 GFADRO C[N@@H+]1C[C@H]2CCN(Cc3noc(Cc4ccc(Br)cc4)n3)[C@@H]2C1 ZINC000644728294 565490914 /nfs/dbraw/zinc/49/09/14/565490914.db2.gz HADNYQIYGMAGGP-UKRRQHHQSA-N 1 0 377.286 2.559 20 0 GFADRO COC(=O)[C@H](c1cccc(Cl)c1Cl)N(C)C[C@H](O)C[N@H+](C)C(C)C ZINC000595853782 565495096 /nfs/dbraw/zinc/49/50/96/565495096.db2.gz YBXBDSKEXGXCFP-WBMJQRKESA-N 1 0 377.312 2.840 20 0 GFADRO CCOC(=O)CC1([NH2+]Cc2nc3cc(Br)ccc3[nH]2)CCOCC1 ZINC000595877944 565495966 /nfs/dbraw/zinc/49/59/66/565495966.db2.gz NQEARPBIRSMHBM-UHFFFAOYSA-N 1 0 396.285 2.917 20 0 GFADRO Cc1cc(I)ccc1NC(=O)c1cn[nH]c1[C@@H]1CC[NH2+]C1 ZINC000595928848 565498555 /nfs/dbraw/zinc/49/85/55/565498555.db2.gz AWTGKIHAVWIZNW-SNVBAGLBSA-N 1 0 396.232 2.652 20 0 GFADRO CCC[NH+]1CCC(NC(=O)c2cc(Br)cc3c2OCCO3)CC1 ZINC000665465047 565501872 /nfs/dbraw/zinc/50/18/72/565501872.db2.gz OZISOKHDGSRDOF-UHFFFAOYSA-N 1 0 383.286 2.825 20 0 GFADRO COC(=O)c1cc(NC(=O)C2([NH2+]C3CC3)CCC2)cc(Br)c1F ZINC000595964518 565502124 /nfs/dbraw/zinc/50/21/24/565502124.db2.gz QWZLXMDDEKMZJO-UHFFFAOYSA-N 1 0 385.233 2.988 20 0 GFADRO O=C(NCc1cc(Cl)ccc1I)[C@H]1CCC[NH2+]CC1 ZINC000595963412 565502474 /nfs/dbraw/zinc/50/24/74/565502474.db2.gz RPLFNBXVMGODJT-JTQLQIEISA-N 1 0 392.668 2.951 20 0 GFADRO O=C(Nc1ccc(F)cc1Br)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000665598864 565505239 /nfs/dbraw/zinc/50/52/39/565505239.db2.gz QEQUPRVIKBOUFG-CYBMUJFWSA-N 1 0 386.265 2.963 20 0 GFADRO COc1ncc(Br)cc1CNC(=O)NCC1([NH+](C)C)CCCCC1 ZINC000623397807 565507883 /nfs/dbraw/zinc/50/78/83/565507883.db2.gz QKCQWOFVSHPNKE-UHFFFAOYSA-N 1 0 399.333 2.916 20 0 GFADRO Cn1cc(Br)c(C(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)n1 ZINC000645009335 565508074 /nfs/dbraw/zinc/50/80/74/565508074.db2.gz UQENQTVBKVNPMV-OAHLLOKOSA-N 1 0 391.313 2.825 20 0 GFADRO CC(C)(O)C[NH2+]Cc1cc(Cl)cc(Cl)c1OCCN1CCOCC1 ZINC000623412266 565509835 /nfs/dbraw/zinc/50/98/35/565509835.db2.gz ACRJHOZRFLMQFP-UHFFFAOYSA-N 1 0 377.312 2.565 20 0 GFADRO C[N@@H+]1CCCC[C@H](CNC(=O)NCCOc2cccc(Br)c2)C1 ZINC000623446196 565510604 /nfs/dbraw/zinc/51/06/04/565510604.db2.gz UWLKYZHFKSFEGE-CQSZACIVSA-N 1 0 384.318 2.859 20 0 GFADRO OCC[C@]1(C[NH2+]Cc2c[nH]nc2-c2ccc(Br)s2)CCOC1 ZINC000623448781 565511069 /nfs/dbraw/zinc/51/10/69/565511069.db2.gz CNANXDIOALOWNT-OAHLLOKOSA-N 1 0 386.315 2.779 20 0 GFADRO O=C1[C@H]([NH2+][C@H]2CCc3cccc(Br)c3C2)CCN1C1CCOCC1 ZINC000645160972 565514799 /nfs/dbraw/zinc/51/47/99/565514799.db2.gz XSYOKKKXLUDJRZ-KBXCAEBGSA-N 1 0 393.325 2.676 20 0 GFADRO C[C@H]([NH2+]C[C@H](O)COC[C@@H]1CCCO1)c1ccc(F)c(Br)c1 ZINC000645194076 565516021 /nfs/dbraw/zinc/51/60/21/565516021.db2.gz GBKMKNJGLICPEA-UBHSHLNASA-N 1 0 376.266 2.795 20 0 GFADRO Cc1cc(C[NH2+][C@@H]2CCN(c3ccc4nncn4n3)C2)ccc1Br ZINC000623652237 565522873 /nfs/dbraw/zinc/52/28/73/565522873.db2.gz AKKJXELVMGTHSB-CQSZACIVSA-N 1 0 387.285 2.564 20 0 GFADRO C[C@@H]([NH2+]CCNC(=O)c1cccc(Br)c1)c1cc2n(n1)CCC2 ZINC000666100662 565523038 /nfs/dbraw/zinc/52/30/38/565523038.db2.gz VRQUHQBHRMWNMV-GFCCVEGCSA-N 1 0 377.286 2.672 20 0 GFADRO O[C@H]1C[C@@H](C[NH2+]Cc2cc(Cl)cc(Cl)c2OCCN2CCOCC2)C1 ZINC000623748651 565528865 /nfs/dbraw/zinc/52/88/65/565528865.db2.gz BNDBUQHELFQHJU-AKAXFMLLSA-N 1 0 389.323 2.565 20 0 GFADRO C[C@H](C[C@@H]1COCC[NH2+]1)NCc1cc(Cl)ccc1I ZINC000596652356 565530800 /nfs/dbraw/zinc/53/08/00/565530800.db2.gz SMVJUOUYTHJTHP-ZWNOBZJWSA-N 1 0 394.684 2.801 20 0 GFADRO Cc1cc(Br)cc(C[NH2+]CCN2CC[C@H](O)C2)c1OC(F)F ZINC000623837727 565533167 /nfs/dbraw/zinc/53/31/67/565533167.db2.gz QUVPWCHVXYRQTI-ZDUSSCGKSA-N 1 0 379.245 2.515 20 0 GFADRO C[N@@H+]1CC[C@H](Nc2cnc(N3CCOCC3)c(Br)c2)CC1(C)C ZINC000623978621 565537239 /nfs/dbraw/zinc/53/72/39/565537239.db2.gz ZNXZFMOZPQCXEI-ZDUSSCGKSA-N 1 0 383.334 2.965 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1cc(Br)cc2c1OCCO2 ZINC000666452279 565537682 /nfs/dbraw/zinc/53/76/82/565537682.db2.gz YOBTYRQKMPKLOW-ZIAGYGMSSA-N 1 0 381.270 2.577 20 0 GFADRO Cn1nccc1[C@H](CO)[NH2+][C@H](c1cccc(Br)c1)C1CCOCC1 ZINC000624021594 565540395 /nfs/dbraw/zinc/54/03/95/565540395.db2.gz PQQAMABNIQAQST-WMZOPIPTSA-N 1 0 394.313 2.974 20 0 GFADRO Cc1cccc2c1C[C@@H]([NH2+][C@H](C)Cn1cc(Br)ccc1=O)CO2 ZINC000624070755 565541583 /nfs/dbraw/zinc/54/15/83/565541583.db2.gz PAVTVADPJYXIJR-UKRRQHHQSA-N 1 0 377.282 2.901 20 0 GFADRO CN(CC[N@H+](C)C1CC1)S(=O)(=O)c1cc(Cl)ccc1OC(F)(F)F ZINC000645652930 565548663 /nfs/dbraw/zinc/54/86/63/565548663.db2.gz JCSUAVRBORNNAL-UHFFFAOYSA-N 1 0 386.823 2.953 20 0 GFADRO C[C@H]([NH2+][C@@H]1CO[C@@H](C2CC2)C1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000624222928 565548858 /nfs/dbraw/zinc/54/88/58/565548858.db2.gz JXCVZDOVKSGGEG-QEVYDEPDSA-N 1 0 379.309 2.859 20 0 GFADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)c2cc(Cl)sc2Cl)CC1 ZINC000597033700 565549270 /nfs/dbraw/zinc/54/92/70/565549270.db2.gz NTUKJGUGNAPWJV-UHFFFAOYSA-N 1 0 378.325 2.727 20 0 GFADRO Cc1cc(Br)c(F)cc1S(=O)(=O)N1C[C@@H]([NH3+])Cc2ccccc21 ZINC000624372873 565553295 /nfs/dbraw/zinc/55/32/95/565553295.db2.gz ZFEAVWRAYJAOSR-LBPRGKRZSA-N 1 0 399.285 2.975 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)c(Br)c1 ZINC000645694792 565553446 /nfs/dbraw/zinc/55/34/46/565553446.db2.gz IPDVHESUJDUHFN-SFHVURJKSA-N 1 0 394.313 2.559 20 0 GFADRO CCOc1ccc(S(=O)(=O)N2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1C ZINC000624391347 565554760 /nfs/dbraw/zinc/55/47/60/565554760.db2.gz VVHFTZYWTRQVKP-JSGCOSHPSA-N 1 0 380.432 2.542 20 0 GFADRO COC(=O)CN1CCC([NH2+][C@H]2CSCc3ccc(Br)cc32)CC1 ZINC000597210788 565555520 /nfs/dbraw/zinc/55/55/20/565555520.db2.gz VTNGGMOPDPTCSL-INIZCTEOSA-N 1 0 399.354 2.964 20 0 GFADRO Brc1ccc2ncnc(N3CCC([NH+]4CCOCC4)CC3)c2c1 ZINC000624403894 565555751 /nfs/dbraw/zinc/55/57/51/565555751.db2.gz AZVWBCOHGPIBKQ-UHFFFAOYSA-N 1 0 377.286 2.693 20 0 GFADRO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000645736491 565556285 /nfs/dbraw/zinc/55/62/85/565556285.db2.gz QRYSZVKPKXETKL-COXVUDFISA-N 1 0 380.330 2.780 20 0 GFADRO C[C@]12C[NH2+]C[C@@]1(C)CN(S(=O)(=O)c1cc(Br)ccc1Cl)C2 ZINC000624412343 565556854 /nfs/dbraw/zinc/55/68/54/565556854.db2.gz VUFBPPLFIXZCDZ-OKILXGFUSA-N 1 0 393.734 2.723 20 0 GFADRO C[NH+](C)CCN(Cc1ccsc1)S(=O)(=O)c1ncccc1C(F)(F)F ZINC000645753248 565559897 /nfs/dbraw/zinc/55/98/97/565559897.db2.gz AGQFHDVTLJTXPF-UHFFFAOYSA-N 1 0 393.456 2.914 20 0 GFADRO FC(F)Oc1cccc(Cl)c1CNC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000666898664 565562648 /nfs/dbraw/zinc/56/26/48/565562648.db2.gz WYMYEBZKQOVKKJ-ZDUSSCGKSA-N 1 0 387.780 2.867 20 0 GFADRO C[N@@H+]1CCCC[C@H](CNC(=O)N2CCC(n3cc(Br)cn3)CC2)C1 ZINC000624614207 565566063 /nfs/dbraw/zinc/56/60/63/565566063.db2.gz MUBJKNXUDOBMDC-CQSZACIVSA-N 1 0 398.349 2.724 20 0 GFADRO [NH3+][C@H]1CCCC[C@@H]1CC(=O)NCc1nnc(-c2ccc(Br)cc2)[nH]1 ZINC000645871641 565569109 /nfs/dbraw/zinc/56/91/09/565569109.db2.gz VRRCDWKFOLUYSI-OCCSQVGLSA-N 1 0 392.301 2.758 20 0 GFADRO CCC1([NH+]2CCOCC2)CCN(c2nnc3ccc(Br)cn32)CC1 ZINC000624704516 565572101 /nfs/dbraw/zinc/57/21/01/565572101.db2.gz WHWPNQVTVXXWBN-UHFFFAOYSA-N 1 0 394.317 2.573 20 0 GFADRO C[C@H](CN(C)C(=O)NC[C@H]1COCCN1C)Oc1ccc(Cl)c(Cl)c1 ZINC000624727414 565573141 /nfs/dbraw/zinc/57/31/41/565573141.db2.gz AIQQULXANYEJLN-OLZOCXBDSA-N 1 0 390.311 2.733 20 0 GFADRO O=C(Nc1nnc(CC(F)(F)F)s1)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000667231682 565578890 /nfs/dbraw/zinc/57/88/90/565578890.db2.gz XWVWZQOGRSBVDH-QWRGUYRKSA-N 1 0 377.436 2.886 20 0 GFADRO Cc1nn(C)c(NC(=O)N2CCC[NH2+]CC2)c1-c1ccc(Br)cc1 ZINC000667287852 565580250 /nfs/dbraw/zinc/58/02/50/565580250.db2.gz DLTWEBJBXVQOEV-UHFFFAOYSA-N 1 0 392.301 2.985 20 0 GFADRO COCCOc1ccc(Br)cc1NC(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000667339075 565582226 /nfs/dbraw/zinc/58/22/26/565582226.db2.gz IKZNQYDLKPJOCA-SWLSCSKDSA-N 1 0 398.301 2.690 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CN(C(=O)Nc2nnc(-c3c(F)cccc3Cl)s2)CCO1 ZINC000667408779 565585755 /nfs/dbraw/zinc/58/57/55/565585755.db2.gz WRSQINNSVOVDBO-KWQFWETISA-N 1 0 385.852 2.578 20 0 GFADRO C[C@H](C(=O)Nc1ccc(Br)cc1)N1CCOC2(CC[NH+](C)CC2)C1 ZINC000646104833 565585951 /nfs/dbraw/zinc/58/59/51/565585951.db2.gz PKGVODJQBNBHQT-CQSZACIVSA-N 1 0 396.329 2.573 20 0 GFADRO Cc1nccc(NC(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1Br ZINC000667450559 565587739 /nfs/dbraw/zinc/58/77/39/565587739.db2.gz ACDZFVWSGSZJDQ-UONOGXRCSA-N 1 0 381.318 2.818 20 0 GFADRO CCN(C(=O)c1cc(I)ccc1O)[C@H]1CC[N@H+](CC)C1 ZINC000598038407 565589447 /nfs/dbraw/zinc/58/94/47/565589447.db2.gz CMLBTNPUAPXTJG-LBPRGKRZSA-N 1 0 388.249 2.553 20 0 GFADRO C[NH+]1CCC2(CCN(C(=O)COc3ccc(F)cc3Br)C2)CC1 ZINC000646248618 565592066 /nfs/dbraw/zinc/59/20/66/565592066.db2.gz CSAICUOPBUOKSJ-UHFFFAOYSA-N 1 0 385.277 2.911 20 0 GFADRO CC[C@H]1CN(C(=O)Nc2ccnn2-c2ccc(Br)cn2)CC[C@H]1[NH3+] ZINC000667517601 565592208 /nfs/dbraw/zinc/59/22/08/565592208.db2.gz WNXQUYSWTSNJJN-WCQYABFASA-N 1 0 393.289 2.621 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)Nc2ccnn2-c2ccc(Br)cn2)C1 ZINC000667517427 565592241 /nfs/dbraw/zinc/59/22/41/565592241.db2.gz IBZSBGIJTKYISW-RYUDHWBXSA-N 1 0 393.289 2.621 20 0 GFADRO O=C(NCCc1cc(Cl)ccc1Br)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000646257396 565593174 /nfs/dbraw/zinc/59/31/74/565593174.db2.gz PQLDMFPALBBMDY-NSHDSACASA-N 1 0 397.704 2.875 20 0 GFADRO O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000667538815 565593555 /nfs/dbraw/zinc/59/35/55/565593555.db2.gz ODKHUAOMMIHSFA-ZANVPECISA-N 1 0 375.778 2.508 20 0 GFADRO CC[C@@H]1CN(C(=O)C(=O)Nc2ccc(Br)c(Cl)c2)CC[C@H]1[NH3+] ZINC000667546028 565593820 /nfs/dbraw/zinc/59/38/20/565593820.db2.gz CURJCHIRFULKMD-NOZJJQNGSA-N 1 0 388.693 2.627 20 0 GFADRO O=C(NC[C@H]1CCCC[NH2+]1)Nc1ccn(-c2ccc(Br)cc2)n1 ZINC000667639562 565598327 /nfs/dbraw/zinc/59/83/27/565598327.db2.gz PMNPRDSASKKJQI-CYBMUJFWSA-N 1 0 378.274 2.898 20 0 GFADRO COC(=O)[C@H](NC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C)c1ccccc1Br ZINC000598184048 565598748 /nfs/dbraw/zinc/59/87/48/565598748.db2.gz KSJIEPLRFRXEQE-MQIPJXDCSA-N 1 0 383.286 2.652 20 0 GFADRO Cc1sc2nc(C)nc(SCC(=O)N3CC[C@@H]4CC[NH2+][C@H]4C3)c2c1C ZINC000646345237 565598951 /nfs/dbraw/zinc/59/89/51/565598951.db2.gz OQWWXANRHLZTFK-KBPBESRZSA-N 1 0 376.551 2.919 20 0 GFADRO O=C(CCCCc1ccc(Br)cc1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000646352110 565599796 /nfs/dbraw/zinc/59/97/96/565599796.db2.gz RHGZMRUYPHGYQJ-SFHVURJKSA-N 1 0 394.357 2.668 20 0 GFADRO Cn1nc2cc(Br)ccc2c1C(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000646386324 565600886 /nfs/dbraw/zinc/60/08/86/565600886.db2.gz UQMXUQASDNMYPV-QWHCGFSZSA-N 1 0 391.313 2.798 20 0 GFADRO O=C(c1cc(Br)c2c(c1)OCCO2)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000646386031 565601199 /nfs/dbraw/zinc/60/11/99/565601199.db2.gz QHVWQFJQDFQVED-QWHCGFSZSA-N 1 0 395.297 2.682 20 0 GFADRO C[N@@H+]1CCC[C@@H]1[C@H]1COCCN1C(=O)Cc1csc(-c2cccs2)n1 ZINC000646450833 565604292 /nfs/dbraw/zinc/60/42/92/565604292.db2.gz YYYSZWIDCPRNOJ-HUUCEWRRSA-N 1 0 377.535 2.736 20 0 GFADRO O=C(NCCNc1cccc(Br)c1)Nc1cnc2c(c1)C[NH2+]CC2 ZINC000667804001 565606589 /nfs/dbraw/zinc/60/65/89/565606589.db2.gz UAXBLZGJYUYICA-UHFFFAOYSA-N 1 0 390.285 2.723 20 0 GFADRO COCCC[N@H+](C)CCNC(=O)Nc1cnc(-c2ccc(Cl)s2)nc1 ZINC000646543153 565607172 /nfs/dbraw/zinc/60/71/72/565607172.db2.gz HLBPMSYAHUJWJH-UHFFFAOYSA-N 1 0 383.905 2.948 20 0 GFADRO CCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(OC)c(I)c2)C1 ZINC000598342227 565609799 /nfs/dbraw/zinc/60/97/99/565609799.db2.gz KVCPYGDNCFYPDC-GFCCVEGCSA-N 1 0 388.249 2.514 20 0 GFADRO C[NH+](C)C1(CNC(=O)c2cc(Br)cc3[nH]c(=O)[nH]c32)CCCC1 ZINC000646671781 565613653 /nfs/dbraw/zinc/61/36/53/565613653.db2.gz XMWODRRGVXFRIR-UHFFFAOYSA-N 1 0 381.274 2.635 20 0 GFADRO CN(CCc1cnccn1)[C@H]1CCc2cc(Br)ccc2NC1=O ZINC000625283043 565616466 /nfs/dbraw/zinc/61/64/66/565616466.db2.gz HMZSIKDICRALSZ-INIZCTEOSA-N 1 0 375.270 2.667 20 0 GFADRO COCCC[NH+]1CCC(NC(=O)Cc2ccc(Br)cc2F)CC1 ZINC000667995487 565617679 /nfs/dbraw/zinc/61/76/79/565617679.db2.gz MVYJBKYTLJLDPY-UHFFFAOYSA-N 1 0 387.293 2.748 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C(=O)N1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000646762955 565618142 /nfs/dbraw/zinc/61/81/42/565618142.db2.gz LPGXANBJCJTSCO-ZBEGNZNMSA-N 1 0 377.286 2.753 20 0 GFADRO CC(C)OC[C@@H]1CN([C@H]2CCc3cc(Br)ccc3NC2=O)CCO1 ZINC000625330613 565619674 /nfs/dbraw/zinc/61/96/74/565619674.db2.gz PIWBHBZQSGWJIO-RDJZCZTQSA-N 1 0 397.313 2.828 20 0 GFADRO CC[NH+](CC)CC[C@H](CO)NC(=O)Nc1ccc(F)c(Br)c1F ZINC000668040147 565623005 /nfs/dbraw/zinc/62/30/05/565623005.db2.gz MJFCGGQFXXZSKR-SNVBAGLBSA-N 1 0 394.260 2.942 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CN(C(=O)c2ccc(Br)c(OC(F)(F)F)c2)CCO1 ZINC000646855073 565623292 /nfs/dbraw/zinc/62/32/92/565623292.db2.gz ZMXIRVHEMRIDAR-PRHODGIISA-N 1 0 397.191 2.536 20 0 GFADRO COc1c[nH+]ccc1N1CCN(Cc2cncc(Br)c2C)CC1 ZINC000668096690 565627103 /nfs/dbraw/zinc/62/71/03/565627103.db2.gz OISHKYYLWOQFCF-UHFFFAOYSA-N 1 0 377.286 2.878 20 0 GFADRO C[N@@H+]1CCCC[C@@H](CNS(=O)(=O)c2cc(Cl)ccc2OC(F)F)C1 ZINC000625425228 565630077 /nfs/dbraw/zinc/63/00/77/565630077.db2.gz NMNSIAWFCNUKKH-NSHDSACASA-N 1 0 382.860 2.952 20 0 GFADRO CC1([NH3+])CCN(C(=O)[C@H]2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000646995868 565631132 /nfs/dbraw/zinc/63/11/32/565631132.db2.gz VMDZGIIDEKKPET-OAHLLOKOSA-N 1 0 384.307 2.938 20 0 GFADRO CC1([NH3+])CCN(C(=O)[C@H](c2ccc(Cl)cc2Cl)N2CCOCC2)CC1 ZINC000646991234 565631200 /nfs/dbraw/zinc/63/12/00/565631200.db2.gz TWLLQYZEZBYMQY-INIZCTEOSA-N 1 0 386.323 2.707 20 0 GFADRO O=C(N[C@@H]1CCC[NH2+]CC1)[C@H](c1ccc(Cl)cc1Cl)N1CCOCC1 ZINC000646987676 565631546 /nfs/dbraw/zinc/63/15/46/565631546.db2.gz IXEQQLQWYVWQPF-PBHICJAKSA-N 1 0 386.323 2.625 20 0 GFADRO CC[C@@H]1CN(C(=O)c2cnn(-c3cccc(Br)c3)c2)CC[C@H]1[NH3+] ZINC000647011680 565632348 /nfs/dbraw/zinc/63/23/48/565632348.db2.gz IUSHOVPIHYGNQQ-MLGOLLRUSA-N 1 0 377.286 2.834 20 0 GFADRO [NH3+][C@]12CCC[C@H]1CN(C(=O)c1ccc(I)c(Cl)c1)C2 ZINC000598668515 565632680 /nfs/dbraw/zinc/63/26/80/565632680.db2.gz WCWUFUZVEINIDL-HZMBPMFUSA-N 1 0 390.652 2.898 20 0 GFADRO COc1cc(NC(=O)C[NH2+]Cc2cncc(Br)c2C)cc(OC)c1 ZINC000668245831 565634852 /nfs/dbraw/zinc/63/48/52/565634852.db2.gz PMBOIXXEMSSZQW-UHFFFAOYSA-N 1 0 394.269 2.898 20 0 GFADRO CC[C@H](C)[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N[C@@H](CC[NH3+])C(F)F ZINC000647070432 565635814 /nfs/dbraw/zinc/63/58/14/565635814.db2.gz GREDEOQRFLYIBO-BPNCWPANSA-N 1 0 375.847 2.583 20 0 GFADRO C[NH+](C)C1CC(NC(=O)C2(c3ccc(I)cc3)CC2)C1 ZINC000598718103 565637328 /nfs/dbraw/zinc/63/73/28/565637328.db2.gz JQSVTHZHXFHMAB-UHFFFAOYSA-N 1 0 384.261 2.532 20 0 GFADRO Cc1cc(Br)c(F)c(C(=O)NCCCN2CCC[N@@H+](C)CC2)c1 ZINC000625571884 565640059 /nfs/dbraw/zinc/64/00/59/565640059.db2.gz QWPFOKBOCIKOAT-UHFFFAOYSA-N 1 0 386.309 2.654 20 0 GFADRO C[C@@H](NC(=O)C(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C)c1ccc(Br)cc1 ZINC000668365086 565641885 /nfs/dbraw/zinc/64/18/85/565641885.db2.gz BLDJHNAKYMWORB-IUODEOHRSA-N 1 0 396.329 2.615 20 0 GFADRO FC(F)Oc1ccc(Br)c(C[NH2+]CCCN2CCOCC2)c1 ZINC000647166330 565643352 /nfs/dbraw/zinc/64/33/52/565643352.db2.gz JFTHNCVXAZFEKX-UHFFFAOYSA-N 1 0 379.245 2.862 20 0 GFADRO COc1ccccc1[C@@H]([NH3+])CNS(=O)(=O)c1cc(C)ccc1Br ZINC000647187707 565643889 /nfs/dbraw/zinc/64/38/89/565643889.db2.gz UOBVNBOAXFMOEV-AWEZNQCLSA-N 1 0 399.310 2.744 20 0 GFADRO CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@@H](C)c2cc(F)c(Cl)cc2Cl)C1 ZINC000668371078 565644259 /nfs/dbraw/zinc/64/42/59/565644259.db2.gz JFXBZWIQQPZGTN-QWRGUYRKSA-N 1 0 390.286 2.910 20 0 GFADRO COc1ccccc1[C@H]([NH3+])CNS(=O)(=O)c1cc(C)ccc1Br ZINC000647187708 565644412 /nfs/dbraw/zinc/64/44/12/565644412.db2.gz UOBVNBOAXFMOEV-CQSZACIVSA-N 1 0 399.310 2.744 20 0 GFADRO O[C@H](CNCc1cc(OC(F)F)ccc1Br)C[NH+]1CCCC1 ZINC000647174490 565644586 /nfs/dbraw/zinc/64/45/86/565644586.db2.gz CSUOEUFWJOWXRJ-GFCCVEGCSA-N 1 0 379.245 2.597 20 0 GFADRO COc1ccccc1[C@H]([NH3+])CNS(=O)(=O)c1ccc(Br)c(C)c1 ZINC000647186100 565644962 /nfs/dbraw/zinc/64/49/62/565644962.db2.gz BWXJBASRYFUGCU-OAHLLOKOSA-N 1 0 399.310 2.744 20 0 GFADRO C[C@@H](CCS(C)(=O)=O)[NH2+]Cc1cc(OC(F)F)ccc1Br ZINC000647192725 565645861 /nfs/dbraw/zinc/64/58/61/565645861.db2.gz VNTZHAUDRSPCHY-VIFPVBQESA-N 1 0 386.258 2.963 20 0 GFADRO COCCOc1c(Cl)cc(S(=O)(=O)NC2CCC([NH3+])CC2)cc1Cl ZINC000647204548 565646330 /nfs/dbraw/zinc/64/63/30/565646330.db2.gz UIVKJXVZLYDMAH-UHFFFAOYSA-N 1 0 397.324 2.567 20 0 GFADRO CCCC[C@@H](C[NH3+])NS(=O)(=O)c1ccc2c(Br)cn(C)c2c1 ZINC000647233289 565647635 /nfs/dbraw/zinc/64/76/35/565647635.db2.gz CHKJNCVJDMOFBW-NSHDSACASA-N 1 0 388.331 2.737 20 0 GFADRO COc1cc(Br)c(C[NH2+][C@H](CO)[C@H]2CCC[C@@H](OC)C2)cc1O ZINC000668476997 565648425 /nfs/dbraw/zinc/64/84/25/565648425.db2.gz RLKORRDBACIPQA-NJZAAPMLSA-N 1 0 388.302 2.819 20 0 GFADRO CC(C)(C[NH2+]CC1=Cc2cc(Br)ccc2OC1)[C@]1(O)CCOC1 ZINC000647246514 565649063 /nfs/dbraw/zinc/64/90/63/565649063.db2.gz IHMCOGXTETVQTB-SFHVURJKSA-N 1 0 382.298 2.992 20 0 GFADRO CCS(=O)(=O)N1CCC([NH2+]Cc2ccc(C(=O)OC(C)(C)C)s2)CC1 ZINC000598954934 565651360 /nfs/dbraw/zinc/65/13/60/565651360.db2.gz WFSYUMNCMQNALX-UHFFFAOYSA-N 1 0 388.555 2.607 20 0 GFADRO CC(C)(C)OC(=O)c1ccc(C[NH2+]C[C@@H]2CCC[C@@H]2NS(C)(=O)=O)s1 ZINC000598968519 565651535 /nfs/dbraw/zinc/65/15/35/565651535.db2.gz PAQLFJHCEQZENQ-JSGCOSHPSA-N 1 0 388.555 2.511 20 0 GFADRO CC[C@H]1CN(S(=O)(=O)Cc2ccc(Cl)cc2Br)CC[C@@H]1[NH3+] ZINC000647270430 565651565 /nfs/dbraw/zinc/65/15/65/565651565.db2.gz ZBSDVIODCYFESF-HZMBPMFUSA-N 1 0 395.750 2.992 20 0 GFADRO Cc1cc(Br)cn2c(CN3CC[C@@H]4NC(=O)CC[C@@H]4C3)cnc12 ZINC000668540252 565652673 /nfs/dbraw/zinc/65/26/73/565652673.db2.gz APKIRRIAMOZDHB-DOMZBBRYSA-N 1 0 377.286 2.506 20 0 GFADRO C[C@H](C[S@](C)=O)[NH2+][C@H](C)c1ccc(NS(=O)(=O)c2ccccc2)cc1 ZINC000599045397 565654111 /nfs/dbraw/zinc/65/41/11/565654111.db2.gz QOKURGHWSJUNJD-FENDNCTDSA-N 1 0 380.535 2.905 20 0 GFADRO O=S(=O)(Cc1ccc(Br)cc1Cl)N[C@H]1CCC[NH2+]CC1 ZINC000647285814 565654641 /nfs/dbraw/zinc/65/46/41/565654641.db2.gz SPQNYFUPDGSXHE-LBPRGKRZSA-N 1 0 381.723 2.664 20 0 GFADRO C[C@H]([NH2+]CC(=O)Nc1ccc(I)cc1)[C@H]1CCCCO1 ZINC000599049347 565654922 /nfs/dbraw/zinc/65/49/22/565654922.db2.gz VLEJPYPQFHADDX-SMDDNHRTSA-N 1 0 388.249 2.777 20 0 GFADRO O=S(=O)(c1ccc(Br)cc1)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647307210 565655454 /nfs/dbraw/zinc/65/54/54/565655454.db2.gz VGJYGYKRRWZGLK-UONOGXRCSA-N 1 0 387.343 2.849 20 0 GFADRO C[C@H]([NH2+]C[C@@H](O)COC[C@H]1CCCO1)c1cc(F)c(Br)cc1F ZINC000625752346 565656455 /nfs/dbraw/zinc/65/64/55/565656455.db2.gz UUJMLYGLZPPFBB-QJPTWQEYSA-N 1 0 394.256 2.934 20 0 GFADRO COC(=O)CCNC(=O)CC[NH2+][C@@H](C)c1csc(-c2csc(C)n2)c1 ZINC000599090237 565656915 /nfs/dbraw/zinc/65/69/15/565656915.db2.gz ZBPZXPOAPZPRCY-NSHDSACASA-N 1 0 381.523 2.900 20 0 GFADRO C[C@H](C[C@H](C)[NH3+])NC(=O)Nc1ccnn1Cc1cccc(Br)c1 ZINC000647475366 565660724 /nfs/dbraw/zinc/66/07/24/565660724.db2.gz JYANDYBWIDSJFS-NWDGAFQWSA-N 1 0 380.290 2.941 20 0 GFADRO Cc1cc(Br)cc(C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)c1C ZINC000668684542 565661237 /nfs/dbraw/zinc/66/12/37/565661237.db2.gz MEIRYRLFQJWAKW-ZDUSSCGKSA-N 1 0 382.346 2.679 20 0 GFADRO Brc1ccc(C[N@@H+]2CC[C@@H]3COC[C@H]3C2)c(N2CCOCC2)c1 ZINC000668705090 565661966 /nfs/dbraw/zinc/66/19/66/565661966.db2.gz GEMIUBXPAMTIAW-HZPDHXFCSA-N 1 0 381.314 2.754 20 0 GFADRO COc1cc(Br)c(C[NH2+]CC(C)(C)[C@]2(O)CCCOC2)cc1O ZINC000668704716 565662451 /nfs/dbraw/zinc/66/24/51/565662451.db2.gz XJIGFCJXTMDIHB-KRWDZBQOSA-N 1 0 388.302 2.821 20 0 GFADRO Cc1ccccc1C[C@H](CO)[NH2+]C[C@@H](O)COc1ccc(Br)cc1 ZINC000647525254 565662716 /nfs/dbraw/zinc/66/27/16/565662716.db2.gz ITEKILROLBQPRE-QZTJIDSGSA-N 1 0 394.309 2.690 20 0 GFADRO [NH3+]CC1(NC(=O)Nc2cc(Cl)ccc2N2CCSCC2)CCOCC1 ZINC000625855480 565662823 /nfs/dbraw/zinc/66/28/23/565662823.db2.gz YJHXDFMKQNUHQZ-UHFFFAOYSA-N 1 0 384.933 2.523 20 0 GFADRO O=S(=O)(CC[NH2+]CCc1ccc(CO)cc1)c1cccc(Br)c1 ZINC000647524410 565662879 /nfs/dbraw/zinc/66/28/79/565662879.db2.gz HVWCEWXVGJDWSY-UHFFFAOYSA-N 1 0 398.322 2.547 20 0 GFADRO [NH3+]C1(CNC(=O)Nc2nc3c(cccc3Br)s2)CCOCC1 ZINC000625888306 565664346 /nfs/dbraw/zinc/66/43/46/565664346.db2.gz WCFDBKXLDNPZSI-UHFFFAOYSA-N 1 0 385.287 2.688 20 0 GFADRO [NH3+]CC[C@@H](NC(=O)N[C@H]1CCN(c2ccc(Cl)cc2F)C1)C(F)(F)F ZINC000625898216 565666190 /nfs/dbraw/zinc/66/61/90/565666190.db2.gz JPQDNBATJLMKFC-GXFFZTMASA-N 1 0 382.789 2.637 20 0 GFADRO COC(=O)[C@H]1CCC[N@@H+]([C@@H]2CCc3cc(Br)ccc3NC2=O)C1 ZINC000599281604 565666734 /nfs/dbraw/zinc/66/67/34/565666734.db2.gz KMFVKQCCYCKSSW-SWLSCSKDSA-N 1 0 381.270 2.587 20 0 GFADRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)c1cc(Br)cc2c1OCCO2 ZINC000668799261 565667213 /nfs/dbraw/zinc/66/72/13/565667213.db2.gz ASXAVXPXYODZFF-GFCCVEGCSA-N 1 0 383.286 2.634 20 0 GFADRO CC[C@H](C)[N@H+](CCO)Cc1cc(I)c(OC)c(OC)c1 ZINC000600170646 565716145 /nfs/dbraw/zinc/71/61/45/565716145.db2.gz ZLWQVZSLESIEON-NSHDSACASA-N 1 0 393.265 2.901 20 0 GFADRO Cc1cc(Br)ccc1[C@@H]1CCC[N@@H+]1CCCN1C(=O)CNC1=O ZINC000626009339 565669232 /nfs/dbraw/zinc/66/92/32/565669232.db2.gz GANYAXBLZKJTAZ-HNNXBMFYSA-N 1 0 380.286 2.836 20 0 GFADRO CS(=O)(=O)N1CCC[C@@H](C[N@@H+]2CCc3cc(C(F)(F)F)ccc3C2)C1 ZINC000626007711 565669376 /nfs/dbraw/zinc/66/93/76/565669376.db2.gz QWFHLEYAFCJDKG-ZDUSSCGKSA-N 1 0 376.444 2.735 20 0 GFADRO Cc1cc(Br)c(F)c(C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)c1 ZINC000626008688 565669880 /nfs/dbraw/zinc/66/98/80/565669880.db2.gz GNMPPIJWFNPCNP-ZDUSSCGKSA-N 1 0 385.277 2.691 20 0 GFADRO Cc1cc(C(=O)N2CC[C@H]([N@@H+]3CC[C@H](O)C3)C2)cc(Cl)c1Br ZINC000647707654 565671976 /nfs/dbraw/zinc/67/19/76/565671976.db2.gz BEJNTVRLWQWXPL-STQMWFEESA-N 1 0 387.705 2.692 20 0 GFADRO C[C@@H]1COCC[N@@H+]1C1CCN(C(=O)c2c(F)cccc2Br)CC1 ZINC000647762797 565674901 /nfs/dbraw/zinc/67/49/01/565674901.db2.gz VCGCVULBXREUPF-GFCCVEGCSA-N 1 0 385.277 2.914 20 0 GFADRO CC(C)(C)n1cc(Br)c(C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)n1 ZINC000669045502 565675998 /nfs/dbraw/zinc/67/59/98/565675998.db2.gz QBSFXZBDBHUVOM-ZDUSSCGKSA-N 1 0 383.334 2.959 20 0 GFADRO CN(CCN1CC[NH2+]CC1)C(=O)C(C)(C)c1csc(-c2cccs2)n1 ZINC000647778377 565676072 /nfs/dbraw/zinc/67/60/72/565676072.db2.gz BHNVZOXEUKNXDA-UHFFFAOYSA-N 1 0 378.567 2.513 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C(=O)NC1(C[NH3+])CCCC1 ZINC000647806270 565678189 /nfs/dbraw/zinc/67/81/89/565678189.db2.gz CLIMEDNHNUHYBM-UHFFFAOYSA-N 1 0 377.286 2.945 20 0 GFADRO CN1CC[NH+](CC2CN(C(=O)Cc3csc4ccc(Cl)cc34)C2)CC1 ZINC000647825338 565679302 /nfs/dbraw/zinc/67/93/02/565679302.db2.gz SISVRYVIYDBCHN-UHFFFAOYSA-N 1 0 377.941 2.803 20 0 GFADRO CC(=O)NC[C@H]1CCCC[N@@H+]1CCC(=O)Nc1cccc(Br)c1 ZINC000626157911 565679865 /nfs/dbraw/zinc/67/98/65/565679865.db2.gz DXNYEEVBPVSSII-MRXNPFEDSA-N 1 0 382.302 2.768 20 0 GFADRO C[C@H]1[C@H]([NH+](C)C)CCN1S(=O)(=O)c1c(Cl)cc(F)cc1Br ZINC000647889008 565680886 /nfs/dbraw/zinc/68/08/86/565680886.db2.gz TWPQXFUJCPNXFK-QPUJVOFHSA-N 1 0 399.713 2.955 20 0 GFADRO CCN(CC(=O)Nc1c(Cl)cccc1Cl)C[C@@H](O)C[N@H+](C)C(C)C ZINC000647956559 565685028 /nfs/dbraw/zinc/68/50/28/565685028.db2.gz ZGOZYSWQYXKYHX-ZDUSSCGKSA-N 1 0 376.328 2.955 20 0 GFADRO CC(C)[N@H+](C)C[C@H](O)CN1CCC(Oc2cccc(Br)c2)CC1 ZINC000647971447 565686238 /nfs/dbraw/zinc/68/62/38/565686238.db2.gz IMUSCLHOCIGBDV-INIZCTEOSA-N 1 0 385.346 2.993 20 0 GFADRO CC[C@@H]1CN(C(=O)NCCC(=O)Nc2ccc(Br)cc2)CC[C@H]1[NH3+] ZINC000669403686 565686899 /nfs/dbraw/zinc/68/68/99/565686899.db2.gz BLLRHBMSGGUHAC-IUODEOHRSA-N 1 0 397.317 2.547 20 0 GFADRO CCOC(=O)C[C@@H](O)C[N@@H+]1CC[C@@H](Sc2ccc(Br)cc2)C1 ZINC000599526187 565687170 /nfs/dbraw/zinc/68/71/70/565687170.db2.gz GRUYQUVUOSTGBS-UKRRQHHQSA-N 1 0 388.327 2.930 20 0 GFADRO [NH3+]C[C@@H]1CCCN(C(=O)NC[C@@H]2CCN(c3cccc(Br)c3)C2)C1 ZINC000669411037 565688100 /nfs/dbraw/zinc/68/81/00/565688100.db2.gz PGIDVEBOSKFSBW-GJZGRUSLSA-N 1 0 395.345 2.656 20 0 GFADRO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)CCSc1ncnc2sc(C)c(C)c21 ZINC000648132218 565690996 /nfs/dbraw/zinc/69/09/96/565690996.db2.gz UCKBGQZEHHQUOA-STQMWFEESA-N 1 0 382.530 2.949 20 0 GFADRO O=C(NCCOc1ncc(C(F)(F)F)cc1Cl)NC[C@@H]1CCCC[NH2+]1 ZINC000669496818 565691102 /nfs/dbraw/zinc/69/11/02/565691102.db2.gz VDKOFXIIXMVWLZ-NSHDSACASA-N 1 0 380.798 2.574 20 0 GFADRO O=C(NCC1C[NH2+]C1)N[C@@H](CC(F)(F)F)c1ccc(Br)cc1 ZINC000669559119 565692085 /nfs/dbraw/zinc/69/20/85/565692085.db2.gz KJJNEXFMQGTKFV-LBPRGKRZSA-N 1 0 380.208 2.961 20 0 GFADRO [NH3+]C/C=C/CNC(=O)NCCOc1ccc(Br)cc1C(F)(F)F ZINC000669547573 565692281 /nfs/dbraw/zinc/69/22/81/565692281.db2.gz GQCOYHLSPXFWJE-OWOJBTEDSA-N 1 0 396.207 2.661 20 0 GFADRO COC(=O)c1cc(NC(=O)N[C@H]2CC[NH2+]C23CCC3)c(C)cc1Br ZINC000599603249 565692437 /nfs/dbraw/zinc/69/24/37/565692437.db2.gz DIVVCBJWIKIUHY-AWEZNQCLSA-N 1 0 396.285 2.950 20 0 GFADRO COC(=O)c1cc(NC(=O)N[C@@H]2CC[NH2+]C23CCC3)c(C)cc1Br ZINC000599603250 565692472 /nfs/dbraw/zinc/69/24/72/565692472.db2.gz DIVVCBJWIKIUHY-CQSZACIVSA-N 1 0 396.285 2.950 20 0 GFADRO CC[C@]1(C(=O)N[C@@H]2CCN(c3ccc(Br)c(C)c3)C2=O)CCC[NH2+]1 ZINC000648164011 565692496 /nfs/dbraw/zinc/69/24/96/565692496.db2.gz QNQATSDRGOMMJW-CRAIPNDOSA-N 1 0 394.313 2.511 20 0 GFADRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)NCCc3c[nH]c4ccc(Br)cc34)C[C@@H]12 ZINC000669557326 565692470 /nfs/dbraw/zinc/69/24/70/565692470.db2.gz NMQZPDARLKWXKT-APHBMKBZSA-N 1 0 391.313 2.852 20 0 GFADRO CC1(CNC(=O)N[C@H](c2cncc(Br)c2)C2CC2)CC[NH2+]CC1 ZINC000669582985 565694409 /nfs/dbraw/zinc/69/44/09/565694409.db2.gz VCTFBYCLMNTAQO-HNNXBMFYSA-N 1 0 381.318 2.984 20 0 GFADRO COC(=O)CCN1CCN(C(=O)c2sc3ncccc3c2Cl)[C@H](C)C1 ZINC000599732814 565698624 /nfs/dbraw/zinc/69/86/24/565698624.db2.gz GNDLYZLIJBIAEM-LLVKDONJSA-N 1 0 381.885 2.659 20 0 GFADRO O=S(=O)(N[C@@H]1CC[N@H+](CC2CC2)C1)c1c(Cl)cccc1Br ZINC000669835883 565703252 /nfs/dbraw/zinc/70/32/52/565703252.db2.gz HFZJGRREAPOBOA-LLVKDONJSA-N 1 0 393.734 2.865 20 0 GFADRO CCN(C(=O)c1cccc(F)c1I)C1CC[NH+](C)CC1 ZINC000599986483 565709326 /nfs/dbraw/zinc/70/93/26/565709326.db2.gz VAZUAROAZMGKCU-UHFFFAOYSA-N 1 0 390.240 2.987 20 0 GFADRO CCN(C(=O)c1cc(I)ccc1F)C1CC[NH+](C)CC1 ZINC000599986198 565709435 /nfs/dbraw/zinc/70/94/35/565709435.db2.gz QPJXQEUHWZGFJU-UHFFFAOYSA-N 1 0 390.240 2.987 20 0 GFADRO C[C@@H](CCNS(=O)(=O)c1ccccc1)[NH2+]Cc1nc2c(s1)CCCC2 ZINC000669999111 565709715 /nfs/dbraw/zinc/70/97/15/565709715.db2.gz GLMOWWNVKPFAKH-AWEZNQCLSA-N 1 0 379.551 2.869 20 0 GFADRO CSc1ccc(NC(=O)C(=O)N[C@H](C)CCCC[NH3+])cc1Br ZINC000626837113 565712223 /nfs/dbraw/zinc/71/22/23/565712223.db2.gz JTIMRIXBESRSNP-SNVBAGLBSA-N 1 0 388.331 2.743 20 0 GFADRO Cc1ccc(Cl)cc1NC(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000626861280 565713082 /nfs/dbraw/zinc/71/30/82/565713082.db2.gz NEYHNRKPRWZIOH-JQWIXIFHSA-N 1 0 377.794 2.573 20 0 GFADRO CCOc1c(Cl)cc(NC(=O)C(=O)N[C@H]2CC[NH2+]C23CCC3)cc1Cl ZINC000626851519 565713514 /nfs/dbraw/zinc/71/35/14/565713514.db2.gz SIQPZSVDSSUGQS-ZDUSSCGKSA-N 1 0 386.279 2.731 20 0 GFADRO C[C@@](CO)([NH2+]Cc1cccc(I)c1)c1cccc(O)c1 ZINC000600181143 565716672 /nfs/dbraw/zinc/71/66/72/565716672.db2.gz LLZNVLRSKIJGIL-INIZCTEOSA-N 1 0 383.229 2.994 20 0 GFADRO [NH3+]CC1(NC(=O)NCCCOc2ccc(Cl)cc2Cl)CCOCC1 ZINC000626953143 565716760 /nfs/dbraw/zinc/71/67/60/565716760.db2.gz AEBDGZRQITXXDQ-UHFFFAOYSA-N 1 0 376.284 2.569 20 0 GFADRO O=S1(=O)CC(CC[NH2+]C2CC(c3ccc(Br)cc3F)C2)C1 ZINC000648539148 565716812 /nfs/dbraw/zinc/71/68/12/565716812.db2.gz PTZJZXLPCVROEH-UHFFFAOYSA-N 1 0 376.291 2.859 20 0 GFADRO CC[C@H](CNC(=O)N(C)CCOCC[NH3+])Cc1cccc(Br)c1 ZINC000626981223 565717595 /nfs/dbraw/zinc/71/75/95/565717595.db2.gz NJFQZZYGVKKHBP-AWEZNQCLSA-N 1 0 386.334 2.635 20 0 GFADRO C[C@H](CNC(=O)N[C@H]1CC[NH2+]C12CCC2)Oc1cccc(Br)c1 ZINC000626990464 565718194 /nfs/dbraw/zinc/71/81/94/565718194.db2.gz YFWLEYXIKMKDRO-DOMZBBRYSA-N 1 0 382.302 2.800 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)NCc2nc(C(F)(F)F)cs2)CC[C@H]1C(F)(F)F ZINC000626984082 565718224 /nfs/dbraw/zinc/71/82/24/565718224.db2.gz FNTOYHDJFVXWKU-JGVFFNPUSA-N 1 0 390.353 2.831 20 0 GFADRO O=C(N[C@@H](Cc1ccccn1)c1ccc(Br)cc1)N[C@@H]1CC[NH2+]C1 ZINC000627019221 565719689 /nfs/dbraw/zinc/71/96/89/565719689.db2.gz UUAPEBQVUYBASM-SJORKVTESA-N 1 0 389.297 2.789 20 0 GFADRO CC[C@H](NC(=O)NCC1([NH3+])CCOCC1)c1cc(F)cc(Br)c1 ZINC000627016118 565719903 /nfs/dbraw/zinc/71/99/03/565719903.db2.gz JBLJOANGIAMCJB-AWEZNQCLSA-N 1 0 388.281 2.846 20 0 GFADRO O=C(NCC/C=C\c1ccc(Br)cc1)NC[C@H]1C[NH2+]CCCO1 ZINC000627103373 565721627 /nfs/dbraw/zinc/72/16/27/565721627.db2.gz QVBVAKPXLXJHPM-RKLPNKIQSA-N 1 0 382.302 2.530 20 0 GFADRO O=C(NC[C@@H]1COCC[NH2+]1)N[C@@H]1CCCCc2cc(Br)ccc21 ZINC000627117528 565721845 /nfs/dbraw/zinc/72/18/45/565721845.db2.gz HNYBYNDLMNQUNM-GDBMZVCRSA-N 1 0 382.302 2.504 20 0 GFADRO O=C(NCCC1=CC[NH2+]CC1)N1CCc2cc(F)cc(Br)c2C1 ZINC000627090490 565722008 /nfs/dbraw/zinc/72/20/08/565722008.db2.gz WLYDHLFSTNUMQB-UHFFFAOYSA-N 1 0 382.277 2.966 20 0 GFADRO CC[C@H](Cc1ccccc1Br)C(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000670408325 565722484 /nfs/dbraw/zinc/72/24/84/565722484.db2.gz MCNWQJKTOHEFFG-NVXWUHKLSA-N 1 0 394.357 2.524 20 0 GFADRO C[C@H]([NH3+])[C@H]1CN(C(=O)NCC/C=C\c2ccc(Br)cc2)CCO1 ZINC000627123221 565722624 /nfs/dbraw/zinc/72/26/24/565722624.db2.gz PNBZPFZELUGAHC-MSUVKPBWSA-N 1 0 382.302 2.610 20 0 GFADRO O=C(NC[C@H]1C[N@@H+]2CCN1CCC2)c1csc(-c2ccc(Cl)s2)n1 ZINC000670408321 565723060 /nfs/dbraw/zinc/72/30/60/565723060.db2.gz MBPPMHPGFDWDPH-NSHDSACASA-N 1 0 382.942 2.645 20 0 GFADRO COC(=O)c1cc(Br)cc(C(=O)NC[C@@H]2CCCC[N@H+](C)C2)c1 ZINC000600316253 565723340 /nfs/dbraw/zinc/72/33/40/565723340.db2.gz YMHROBXLRHPCCH-LBPRGKRZSA-N 1 0 383.286 2.697 20 0 GFADRO COc1c(Br)ccc(F)c1C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000648718498 565723545 /nfs/dbraw/zinc/72/35/45/565723545.db2.gz MRFMNDZZCJLDDG-UHFFFAOYSA-N 1 0 394.244 2.954 20 0 GFADRO [NH3+]C1(CNC(=O)N2CCC[C@@H]2c2ccc(Br)cc2)CCOCC1 ZINC000627152609 565723566 /nfs/dbraw/zinc/72/35/66/565723566.db2.gz ZKCNCHURDAVJSZ-OAHLLOKOSA-N 1 0 382.302 2.804 20 0 GFADRO [NH3+]C1(CNC(=O)N2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)CCOCC1 ZINC000627153816 565723897 /nfs/dbraw/zinc/72/38/97/565723897.db2.gz NIACLTSNKANYQH-HNNXBMFYSA-N 1 0 388.295 2.584 20 0 GFADRO O=C(c1ccc(Br)c(F)c1)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000670444075 565724063 /nfs/dbraw/zinc/72/40/63/565724063.db2.gz CDGHVCFIKCCSAZ-AWEZNQCLSA-N 1 0 385.277 2.915 20 0 GFADRO CCCN(C(=O)NC[C@H]1COCC[NH2+]1)[C@H](C)c1ccccc1Br ZINC000627185038 565724724 /nfs/dbraw/zinc/72/47/24/565724724.db2.gz LMTGVKDTWIJWOG-KGLIPLIRSA-N 1 0 384.318 2.920 20 0 GFADRO C[C@@H]1CC[C@@H](NC(=O)NC(C)(C)COc2ncc(Cl)cc2Cl)C[NH2+]1 ZINC000627204786 565726130 /nfs/dbraw/zinc/72/61/30/565726130.db2.gz GFCOTYYXBBRDNX-ZYHUDNBSSA-N 1 0 375.300 2.986 20 0 GFADRO Cc1cc([C@@H]2CCCN2C(=O)NCCOCCC[NH3+])ccc1Br ZINC000627217688 565727202 /nfs/dbraw/zinc/72/72/02/565727202.db2.gz SGVATTYDODKYKP-INIZCTEOSA-N 1 0 384.318 2.969 20 0 GFADRO CN(Cc1ccc(Br)cc1Cl)C(=O)NCCOCCC[NH3+] ZINC000627217668 565727461 /nfs/dbraw/zinc/72/74/61/565727461.db2.gz RSYSCQMJRUXFCZ-UHFFFAOYSA-N 1 0 378.698 2.609 20 0 GFADRO O=C(c1cnc(-c2ccccc2Cl)s1)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000627257867 565729015 /nfs/dbraw/zinc/72/90/15/565729015.db2.gz PHHUVKQPSSSBGM-CHWSQXEVSA-N 1 0 377.897 2.745 20 0 GFADRO O=C(c1cc(Cl)cc(Br)c1F)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000627264029 565729819 /nfs/dbraw/zinc/72/98/19/565729819.db2.gz MXJROGXBQUJYKJ-QWRGUYRKSA-N 1 0 391.668 2.523 20 0 GFADRO Cn1nccc1[C@H]1C[C@@H]([NH2+]Cc2cc3c(c(Br)c2)OCO3)CCO1 ZINC000648783453 565730221 /nfs/dbraw/zinc/73/02/21/565730221.db2.gz XOWSIKGCMMSVDW-SWLSCSKDSA-N 1 0 394.269 2.921 20 0 GFADRO COc1c(Br)ccc(F)c1C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000648808825 565731394 /nfs/dbraw/zinc/73/13/94/565731394.db2.gz JYXVVVGURSYUFL-OAHLLOKOSA-N 1 0 391.306 2.764 20 0 GFADRO Cn1nc2cc(Br)ccc2c1C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000648808619 565731423 /nfs/dbraw/zinc/73/14/23/565731423.db2.gz BIRCFTQHNFOVBG-MRXNPFEDSA-N 1 0 397.342 2.503 20 0 GFADRO CC[NH+](CC)[C@@H](CNC(=O)C(=O)NCc1ccc(Cl)o1)c1ccsc1 ZINC000670656994 565735527 /nfs/dbraw/zinc/73/55/27/565735527.db2.gz MGYBAUUUAGMQCD-AWEZNQCLSA-N 1 0 383.901 2.810 20 0 GFADRO CN(CCC[NH+](C)C)C(=O)C(=O)Nc1cc(Cl)c(Br)cc1F ZINC000627504875 565738480 /nfs/dbraw/zinc/73/84/80/565738480.db2.gz JEVFFESCIGZQMS-UHFFFAOYSA-N 1 0 394.672 2.590 20 0 GFADRO CCN(C(=O)c1c(C)nc2ccc(Br)cn21)C1CC[NH+](C)CC1 ZINC000627616199 565743902 /nfs/dbraw/zinc/74/39/02/565743902.db2.gz GAKCDJCHFGRYAN-UHFFFAOYSA-N 1 0 379.302 2.962 20 0 GFADRO Cn1ncc(Br)c1C(=O)N1CC[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC000648999725 565743924 /nfs/dbraw/zinc/74/39/24/565743924.db2.gz PNUXDCFMFGQCLH-AWEZNQCLSA-N 1 0 377.286 2.529 20 0 GFADRO C[C@H]1CCCC[N@@H+]1CCNS(=O)(=O)Cc1ccc(OC(F)(F)F)cc1 ZINC000600746532 565747999 /nfs/dbraw/zinc/74/79/99/565747999.db2.gz LKVHPKKXLDLEIF-ZDUSSCGKSA-N 1 0 380.432 2.879 20 0 GFADRO C[C@H](C(=O)N1CCOC2(CC[NH+](C)CC2)C1)c1cccc(Br)c1 ZINC000649129338 565749295 /nfs/dbraw/zinc/74/92/95/565749295.db2.gz UKHJMIXEHSKGDQ-AWEZNQCLSA-N 1 0 381.314 2.876 20 0 GFADRO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000671103706 565752226 /nfs/dbraw/zinc/75/22/26/565752226.db2.gz CJIYHDWAKPOGGH-ZIAGYGMSSA-N 1 0 384.307 2.695 20 0 GFADRO CS(=O)(=O)N1CC(C[NH2+][C@@H]2CCC[C@H]2c2cccc(C(F)(F)F)c2)C1 ZINC000671300156 565760639 /nfs/dbraw/zinc/76/06/39/565760639.db2.gz XAGMHAWFSFOTEY-JKSUJKDBSA-N 1 0 376.444 2.823 20 0 GFADRO O=C(NC[C@H]1CC[N@@H+]1C1CCCC1)C(=O)Nc1cccc(Br)c1F ZINC000627908427 565761191 /nfs/dbraw/zinc/76/11/91/565761191.db2.gz XNTPMZWDPBWKGD-GFCCVEGCSA-N 1 0 398.276 2.660 20 0 GFADRO C[N@@H+]1CCCC[C@@H]1C(=O)N1CCN(C(=O)c2c(Cl)cccc2Cl)CC1 ZINC000600964398 565761457 /nfs/dbraw/zinc/76/14/57/565761457.db2.gz HONYFDMWUPSHQK-OAHLLOKOSA-N 1 0 384.307 2.762 20 0 GFADRO O[C@H](COc1ccc(Cl)cc1Cl)C[NH+]1CCC(Cn2cnnc2)CC1 ZINC000649789113 565778664 /nfs/dbraw/zinc/77/86/64/565778664.db2.gz MDEAGGOBHDTWGO-HNNXBMFYSA-N 1 0 385.295 2.737 20 0 GFADRO C[C@H](CO)C1CC[NH+](C[C@H](O)COc2cc(F)cc(Br)c2)CC1 ZINC000649798836 565779014 /nfs/dbraw/zinc/77/90/14/565779014.db2.gz IZAYBLQKJDYETR-WBMJQRKESA-N 1 0 390.293 2.668 20 0 GFADRO COCC[N@@H+]1CCN(CCC(=O)Nc2cccc(Br)c2)C(C)(C)C1 ZINC000649850491 565782393 /nfs/dbraw/zinc/78/23/93/565782393.db2.gz PZOGUAMXFQEOQT-UHFFFAOYSA-N 1 0 398.345 2.820 20 0 GFADRO COCC[N@@H+]1CCN(CC(=O)Nc2ccc(Br)c(C)c2)C(C)(C)C1 ZINC000649849767 565782709 /nfs/dbraw/zinc/78/27/09/565782709.db2.gz JHUQVXOYPDGZKB-UHFFFAOYSA-N 1 0 398.345 2.739 20 0 GFADRO CS(=O)(=O)CCCC[NH2+][C@@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1 ZINC000671735658 565783651 /nfs/dbraw/zinc/78/36/51/565783651.db2.gz NVMHTRLVZHEHIB-MRXNPFEDSA-N 1 0 379.444 2.821 20 0 GFADRO Cc1ccc(I)c(C(=O)N2CCC[C@H]3C[NH2+]CC[C@@H]32)c1 ZINC000601557392 565791700 /nfs/dbraw/zinc/79/17/00/565791700.db2.gz ONRLTPVBHGKHJL-WFASDCNBSA-N 1 0 384.261 2.814 20 0 GFADRO Cc1cccc(C(=O)N2CCC[C@H]3C[NH2+]CC[C@@H]32)c1I ZINC000601559627 565792218 /nfs/dbraw/zinc/79/22/18/565792218.db2.gz VEWNNUOTTFJZFF-JSGCOSHPSA-N 1 0 384.261 2.814 20 0 GFADRO CC[C@@H](C)[NH2+][C@@H](CNC(=O)CCn1cc(Br)cn1)c1ccco1 ZINC000650077446 565796129 /nfs/dbraw/zinc/79/61/29/565796129.db2.gz TWODAWKOKRBRGH-OCCSQVGLSA-N 1 0 383.290 2.874 20 0 GFADRO O[C@@H]1CCC[C@@H]1[NH+]1CCN(c2ccc(Br)c(C(F)(F)F)n2)CC1 ZINC000672207507 565798439 /nfs/dbraw/zinc/79/84/39/565798439.db2.gz PAPWLOMFDZPWPG-NWDGAFQWSA-N 1 0 394.235 2.898 20 0 GFADRO CC(C)(CO)[NH+]1CCN(c2ccc(Br)c(C(F)(F)F)n2)CC1 ZINC000672217080 565798496 /nfs/dbraw/zinc/79/84/96/565798496.db2.gz PPMGHVAHRIRQQK-UHFFFAOYSA-N 1 0 382.224 2.756 20 0 GFADRO CN(C[C@@H]1CCC[N@H+](C)C1)S(=O)(=O)Cc1ccccc1Br ZINC000672384697 565805019 /nfs/dbraw/zinc/80/50/19/565805019.db2.gz BLLRPXKCCWQOCB-CYBMUJFWSA-N 1 0 375.332 2.553 20 0 GFADRO CC1(C)C[NH2+]CC[C@H](NC(=O)c2cc(F)ccc2I)C1 ZINC000601971040 565811067 /nfs/dbraw/zinc/81/10/67/565811067.db2.gz AFCGIOTWCPFTMA-NSHDSACASA-N 1 0 390.240 2.938 20 0 GFADRO O=C1CC[C@H]([NH2+]Cc2ccc(I)c(Cl)c2)CCN1 ZINC000602015375 565815594 /nfs/dbraw/zinc/81/55/94/565815594.db2.gz BZIDXWJBPZZPLB-JTQLQIEISA-N 1 0 378.641 2.703 20 0 GFADRO CO[C@H](C(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1)c1cnn(C)c1 ZINC000628969259 565817007 /nfs/dbraw/zinc/81/70/07/565817007.db2.gz QAYDGILUCLHZEW-CVEARBPZSA-N 1 0 385.295 2.834 20 0 GFADRO C[NH+](C)[C@@]1(CNC(=O)c2cnc3ncc(Br)cc3c2)CCSC1 ZINC000672834110 565819010 /nfs/dbraw/zinc/81/90/10/565819010.db2.gz ASJLEVQVIOZZJE-MRXNPFEDSA-N 1 0 395.326 2.559 20 0 GFADRO Cc1cc(Br)ccc1[C@@H]1CCCN1C(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000629079427 565822796 /nfs/dbraw/zinc/82/27/96/565822796.db2.gz SPHKFAYFKSUEMT-ROUUACIJSA-N 1 0 392.341 2.811 20 0 GFADRO CC[C@@H](C)[NH2+][C@H](CNC(=O)Cc1cc[nH]c(=O)c1Br)c1ccco1 ZINC000673290794 565831239 /nfs/dbraw/zinc/83/12/39/565831239.db2.gz LZIOKCIFMWRKSG-DGCLKSJQSA-N 1 0 396.285 2.931 20 0 GFADRO Cc1cc(C[NH2+][C@@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)ccc1Br ZINC000673629925 565844202 /nfs/dbraw/zinc/84/42/02/565844202.db2.gz XNZDHYNSZPFPJG-BLLLJJGKSA-N 1 0 377.286 2.775 20 0 GFADRO CCc1ccc(-c2csc(NC(=O)C3([S@@](C)=O)CC[NH2+]CC3)n2)cc1 ZINC000602434899 565847563 /nfs/dbraw/zinc/84/75/63/565847563.db2.gz GSCYJGQCXXJTHV-RUZDIDTESA-N 1 0 377.535 2.812 20 0 GFADRO Cc1ccc(-c2csc(NC(=O)C3([S@@](C)=O)CC[NH2+]CC3)n2)cc1C ZINC000602433854 565847801 /nfs/dbraw/zinc/84/78/01/565847801.db2.gz FGAJBFUGVZQGEI-RUZDIDTESA-N 1 0 377.535 2.866 20 0 GFADRO CCOC(=O)c1sc2ccsc2c1CNC(=O)[C@@]1(C[NH3+])CCCOC1 ZINC000602455067 565848925 /nfs/dbraw/zinc/84/89/25/565848925.db2.gz PWYOEICVLMAHJN-QGZVFWFLSA-N 1 0 382.507 2.511 20 0 GFADRO CN(CCC[NH2+][C@@H](Cc1ccccc1Br)C1CC1)S(C)(=O)=O ZINC000651187300 565849648 /nfs/dbraw/zinc/84/96/48/565849648.db2.gz DXJMWQDCFFEBHL-INIZCTEOSA-N 1 0 389.359 2.641 20 0 GFADRO Cc1sc2nc(CS[C@H](C)C(=O)N3C[C@@H]([NH3+])C[C@H]3C)[nH]c(=O)c2c1C ZINC000602595412 565856564 /nfs/dbraw/zinc/85/65/64/565856564.db2.gz IHYSLVPEBGKTGA-FXAINCCUSA-N 1 0 380.539 2.584 20 0 GFADRO C[C@H](CNC(=O)N[C@H]1CC[N@H+](CC2CC2)C1)Oc1ccccc1Br ZINC000674031689 565856788 /nfs/dbraw/zinc/85/67/88/565856788.db2.gz DSWWXDJVYGBGTL-HIFRSBDPSA-N 1 0 396.329 3.000 20 0 GFADRO CS(=O)(=O)CCCCC[NH2+]Cc1ccc(I)s1 ZINC000602619935 565858573 /nfs/dbraw/zinc/85/85/73/565858573.db2.gz JSLZUYHRFRHKHV-UHFFFAOYSA-N 1 0 387.308 2.657 20 0 GFADRO CN(C)CC[N@H+](C)CCCN(C)c1ncnc2cc(Br)sc21 ZINC000651351809 565859652 /nfs/dbraw/zinc/85/96/52/565859652.db2.gz VRFABFWFIDCPTN-UHFFFAOYSA-N 1 0 386.363 2.774 20 0 GFADRO CN(CCOCC[NH3+])Cc1cccc(OCC(F)(F)F)c1Br ZINC000629580448 565860690 /nfs/dbraw/zinc/86/06/90/565860690.db2.gz CECNLWLSQJAINX-UHFFFAOYSA-N 1 0 385.224 2.797 20 0 GFADRO COc1ncc(Br)cc1C[NH2+]C[C@@H](O)COc1cc(C)ccc1C ZINC000629592775 565861647 /nfs/dbraw/zinc/86/16/47/565861647.db2.gz FJAQYYYLABJRMJ-MRXNPFEDSA-N 1 0 395.297 2.999 20 0 GFADRO O=S1(=O)CC[C@](O)(C[NH2+][C@H](Cc2ccccc2Cl)c2ccccc2)C1 ZINC000651391919 565862313 /nfs/dbraw/zinc/86/23/13/565862313.db2.gz KUZOQHZVBHUMHV-MOPGFXCFSA-N 1 0 379.909 2.763 20 0 GFADRO C[C@@H]1C[N@@H+](CCCCNC(=O)c2nscc2Br)C[C@H](C)O1 ZINC000651461055 565864559 /nfs/dbraw/zinc/86/45/59/565864559.db2.gz IHORRJSKOQFNBO-PHIMTYICSA-N 1 0 376.320 2.525 20 0 GFADRO O=c1[nH]cccc1C[NH2+]C[C@H](O)COc1ccc(Cl)cc1Br ZINC000629613050 565865031 /nfs/dbraw/zinc/86/50/31/565865031.db2.gz HFUOLSYGWOKCQR-LBPRGKRZSA-N 1 0 387.661 2.733 20 0 GFADRO COCCOCC[NH+]1CCN(c2ccc3cccc(Br)c3n2)CC1 ZINC000651485497 565865885 /nfs/dbraw/zinc/86/58/85/565865885.db2.gz BUYDTAOLRWCGBY-UHFFFAOYSA-N 1 0 394.313 2.782 20 0 GFADRO COC1CC[NH+](CCNC(=O)[C@H]2C[C@@H]2c2cccc(Br)c2)CC1 ZINC000674310169 565867249 /nfs/dbraw/zinc/86/72/49/565867249.db2.gz VEJMYLDKXDWVPV-SJORKVTESA-N 1 0 381.314 2.780 20 0 GFADRO Cc1cc(Br)sc1S(=O)(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000651520204 565867751 /nfs/dbraw/zinc/86/77/51/565867751.db2.gz RDYNVSIAGSAENR-WDEREUQCSA-N 1 0 379.345 2.724 20 0 GFADRO COC[C@H]1CCC[N@@H+]1C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000674469753 565874679 /nfs/dbraw/zinc/87/46/79/565874679.db2.gz KOOGUUQITBOSMP-CHWSQXEVSA-N 1 0 378.694 2.953 20 0 GFADRO COC[C@H]1CCC[N@@H+]1C[C@H](O)COc1ccc(Cl)cc1Br ZINC000674469756 565875093 /nfs/dbraw/zinc/87/50/93/565875093.db2.gz KOOGUUQITBOSMP-OLZOCXBDSA-N 1 0 378.694 2.953 20 0 GFADRO Cc1cc(Br)sc1S(=O)(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000651576311 565875519 /nfs/dbraw/zinc/87/55/19/565875519.db2.gz ARSPVSASWKTLGV-QWRGUYRKSA-N 1 0 381.361 2.922 20 0 GFADRO C[NH+](C)CCN(Cc1cccs1)S(=O)(=O)c1cccc2c1OCCC2 ZINC000651595054 565877601 /nfs/dbraw/zinc/87/76/01/565877601.db2.gz UCVVDYRBZHCIAC-UHFFFAOYSA-N 1 0 380.535 2.826 20 0 GFADRO COC(=O)c1c(Br)ccc(NC(=O)NCC2([NH+](C)C)CC2)c1C ZINC000602991018 565877952 /nfs/dbraw/zinc/87/79/52/565877952.db2.gz QTDCJLGZIBYOFY-UHFFFAOYSA-N 1 0 384.274 2.760 20 0 GFADRO Cc1c(Br)cccc1C[C@@H](CO)CNC(=O)C[N@@H+](C)C1CCC1 ZINC000630004576 565879523 /nfs/dbraw/zinc/87/95/23/565879523.db2.gz FBBHLTPPANXVJI-CQSZACIVSA-N 1 0 383.330 2.509 20 0 GFADRO CS(=O)(=O)N1CCC[C@@H](C[N@H+]2C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)C1 ZINC000674749889 565882340 /nfs/dbraw/zinc/88/23/40/565882340.db2.gz AZMBQVGCZYRIOB-SDDRHHMPSA-N 1 0 396.397 2.721 20 0 GFADRO O=C(CCCc1cccc(Br)c1)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000675457302 565903888 /nfs/dbraw/zinc/90/38/88/565903888.db2.gz IYLWFSBDNOKJQA-ZWKOTPCHSA-N 1 0 395.341 2.829 20 0 GFADRO CC[C@@H](CCc1ccc(Br)cc1)[NH2+][C@H]1CCN(S(C)(=O)=O)C1 ZINC000651921711 565904088 /nfs/dbraw/zinc/90/40/88/565904088.db2.gz UWPOPMWVGYIYSQ-HOTGVXAUSA-N 1 0 389.359 2.784 20 0 GFADRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)c2ncc(I)s2)C1 ZINC000603426528 565905199 /nfs/dbraw/zinc/90/51/99/565905199.db2.gz FUMWKKCGQZXJLZ-JTQLQIEISA-N 1 0 393.294 2.598 20 0 GFADRO CCN1C[C@H](C[NH2+]Cc2c(Br)cncc2Br)CC1=O ZINC000651999994 565909812 /nfs/dbraw/zinc/90/98/12/565909812.db2.gz XNTCGRUNTLCRIR-VIFPVBQESA-N 1 0 391.107 2.565 20 0 GFADRO CCN1C[C@@H](C[NH2+]Cc2cnn(-c3ccc(Br)cc3)c2)CC1=O ZINC000652002447 565909896 /nfs/dbraw/zinc/90/98/96/565909896.db2.gz OIMCRLUVCJVZIH-CYBMUJFWSA-N 1 0 377.286 2.593 20 0 GFADRO CN(CCC[NH2+][C@H]1CCSc2ccc(Br)cc21)S(C)(=O)=O ZINC000675746570 565913842 /nfs/dbraw/zinc/91/38/42/565913842.db2.gz KNJVBBPVRQUCCT-ZDUSSCGKSA-N 1 0 393.372 2.857 20 0 GFADRO C[N@@H+]1CCCN(CCCNC(=O)[C@@H]2C[C@H]2c2ccc(Br)cc2)CC1 ZINC000603811991 565915862 /nfs/dbraw/zinc/91/58/62/565915862.db2.gz BYNBFYNGACIBSZ-ZWKOTPCHSA-N 1 0 394.357 2.696 20 0 GFADRO Cn1nnnc1CC[NH2+][C@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC000675790414 565916283 /nfs/dbraw/zinc/91/62/83/565916283.db2.gz WKBBDACPUSXBPA-AWEZNQCLSA-N 1 0 375.274 2.664 20 0 GFADRO O=C(NCc1cccc(Br)c1)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000603818896 565917213 /nfs/dbraw/zinc/91/72/13/565917213.db2.gz PNJPJFYCNXOOSH-LJQANCHMSA-N 1 0 389.293 2.702 20 0 GFADRO C[N@@H+]1CCCN(CCCNC(=O)c2cc(-c3ccc(Cl)s3)on2)CC1 ZINC000603898852 565918697 /nfs/dbraw/zinc/91/86/97/565918697.db2.gz QSKOBBGSFPRKRF-UHFFFAOYSA-N 1 0 382.917 2.814 20 0 GFADRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)[C@@H]1[C@@H]2Cc3cc(Br)ccc3[C@@H]21 ZINC000630797238 565920480 /nfs/dbraw/zinc/92/04/80/565920480.db2.gz RSZKVWYODOKBJX-HQKIHSOMSA-N 1 0 375.310 2.935 20 0 GFADRO C[NH2+]Cc1ccccc1CNC(=O)N[C@@H](CO)c1cccc(Br)c1 ZINC000652288055 565920812 /nfs/dbraw/zinc/92/08/12/565920812.db2.gz RTHNIRZTTXPIBS-KRWDZBQOSA-N 1 0 392.297 2.701 20 0 GFADRO O=C(Nc1cccc(C[N@H+]2CC[C@@H](O)C2)c1)c1nscc1Br ZINC000652266604 565921171 /nfs/dbraw/zinc/92/11/71/565921171.db2.gz HGDSRYDQUXOYPA-GFCCVEGCSA-N 1 0 382.283 2.725 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)C(=O)N(C)CC[NH+]1CCCCC1 ZINC000652293501 565921610 /nfs/dbraw/zinc/92/16/10/565921610.db2.gz TZBYCUZIRNURGS-UHFFFAOYSA-N 1 0 382.302 2.640 20 0 GFADRO Cc1cc(Br)sc1S(=O)(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000652371049 565924268 /nfs/dbraw/zinc/92/42/68/565924268.db2.gz FBGVUMDXJSFZDT-UHFFFAOYSA-N 1 0 379.345 2.583 20 0 GFADRO COC(=O)C1CCN(C(=O)C[NH2+]C(C)(C)c2ccc(Br)cc2)CC1 ZINC000604124499 565924998 /nfs/dbraw/zinc/92/49/98/565924998.db2.gz HQRMNUODTQQCEN-UHFFFAOYSA-N 1 0 397.313 2.685 20 0 GFADRO [NH3+]C[C@]12CCC[C@H]1CN(S(=O)(=O)c1cccc(Br)c1Cl)C2 ZINC000652375849 565925571 /nfs/dbraw/zinc/92/55/71/565925571.db2.gz AXGQHIFOHZTTLX-HZMBPMFUSA-N 1 0 393.734 2.852 20 0 GFADRO CC(=O)Nc1cc(F)c(S(=O)(=O)N2CCC[C@H](C)[C@@H]2CC[NH3+])cc1Cl ZINC000652377437 565926741 /nfs/dbraw/zinc/92/67/41/565926741.db2.gz HFSUPGQMCKFXHI-BONVTDFDSA-N 1 0 391.896 2.576 20 0 GFADRO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCCN2S(=O)(=O)c2cc(F)ccc2Cl)C1 ZINC000652383625 565927573 /nfs/dbraw/zinc/92/75/73/565927573.db2.gz BNNSKITWQKRBPM-BPLDGKMQSA-N 1 0 376.881 2.529 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)C2)c(Br)c1 ZINC000676271825 565930921 /nfs/dbraw/zinc/93/09/21/565930921.db2.gz NQEFJDHEJXJKEC-AWEZNQCLSA-N 1 0 394.313 2.701 20 0 GFADRO CN(C)[C@H](C[NH2+]Cc1ccc(Cl)c(S(N)(=O)=O)c1)c1cccc(F)c1 ZINC000631030673 565933336 /nfs/dbraw/zinc/93/33/36/565933336.db2.gz WGJWGQRECCHCPD-MRXNPFEDSA-N 1 0 385.892 2.519 20 0 GFADRO CCO[C@@H]1CN(C(=O)Nc2cc(F)c(Br)c(F)c2)C[C@H]1C[NH3+] ZINC000652591684 565934590 /nfs/dbraw/zinc/93/45/90/565934590.db2.gz FQEKTLUHORACKU-PRHODGIISA-N 1 0 378.217 2.555 20 0 GFADRO CC(C)C[C@H](CNc1cccc(OC(F)(F)F)c1S(N)(=O)=O)[NH+](C)C ZINC000631050080 565935236 /nfs/dbraw/zinc/93/52/36/565935236.db2.gz BUVQDIWGNBJHAC-LLVKDONJSA-N 1 0 383.436 2.621 20 0 GFADRO CC(C)C[C@@H](CNc1cccc(OC(F)(F)F)c1S(N)(=O)=O)[NH+](C)C ZINC000631050081 565935321 /nfs/dbraw/zinc/93/53/21/565935321.db2.gz BUVQDIWGNBJHAC-NSHDSACASA-N 1 0 383.436 2.621 20 0 GFADRO C[C@@H](C[NH+]1CCCCC1)Nc1cccc(OC(F)(F)F)c1S(N)(=O)=O ZINC000631058042 565936788 /nfs/dbraw/zinc/93/67/88/565936788.db2.gz BHCMDAGIWXNTPH-NSHDSACASA-N 1 0 381.420 2.519 20 0 GFADRO C[C@H](C[NH+]1CCCCC1)Nc1cccc(OC(F)(F)F)c1S(N)(=O)=O ZINC000631058041 565936847 /nfs/dbraw/zinc/93/68/47/565936847.db2.gz BHCMDAGIWXNTPH-LLVKDONJSA-N 1 0 381.420 2.519 20 0 GFADRO O=C(NCCC1CC[NH2+]CC1)C(=O)Nc1ccc(C(F)(F)F)cc1Cl ZINC000652643308 565937351 /nfs/dbraw/zinc/93/73/51/565937351.db2.gz DTUZWIURSPPILP-UHFFFAOYSA-N 1 0 377.794 2.803 20 0 GFADRO Cc1cc(S(=O)(=O)NC[C@H](C)[N@H+](C)C2CC2)c(C)cc1Br ZINC000604887437 565939367 /nfs/dbraw/zinc/93/93/67/565939367.db2.gz HEKFGQTUQLEWTH-LBPRGKRZSA-N 1 0 375.332 2.827 20 0 GFADRO Cn1nc2c(c1C[NH2+]C[C@H](O)COc1ccccc1Br)CCCC2 ZINC000631092422 565940502 /nfs/dbraw/zinc/94/05/02/565940502.db2.gz YWBQDDPMPAVQAE-ZDUSSCGKSA-N 1 0 394.313 2.591 20 0 GFADRO CC[C@H]1C[N@H+](C)CCN1C(=O)Nc1cc(Br)cnc1-n1cccn1 ZINC000652904139 565946299 /nfs/dbraw/zinc/94/62/99/565946299.db2.gz RNZHYTYOXTXMCC-ZDUSSCGKSA-N 1 0 393.289 2.588 20 0 GFADRO Brc1cc2c(c(CNCc3nnc(C4CCOCC4)[nH]3)c1)OCC2 ZINC000631212324 565947858 /nfs/dbraw/zinc/94/78/58/565947858.db2.gz DEDHEQQKYKAECP-UHFFFAOYSA-N 1 0 393.285 2.686 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)[C@H]1CCC[NH2+]CC1 ZINC000653082494 565954537 /nfs/dbraw/zinc/95/45/37/565954537.db2.gz XCKCMNJUZMLYRT-ZDUSSCGKSA-N 1 0 382.302 2.592 20 0 GFADRO C[NH+](C)C[C@@]1(O)CCCN(c2ncc(Br)cc2C(F)(F)F)C1 ZINC000631344145 565954837 /nfs/dbraw/zinc/95/48/37/565954837.db2.gz KYPHKFGUBJJKKG-ZDUSSCGKSA-N 1 0 382.224 2.756 20 0 GFADRO COc1ccc(C(=O)N2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)c(Br)c1 ZINC000653186462 565957188 /nfs/dbraw/zinc/95/71/88/565957188.db2.gz LNJVFMPQMBRZCP-AHIWAGSCSA-N 1 0 397.313 2.816 20 0 GFADRO CN(CCOc1ccc(Br)cc1)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000605885381 565957899 /nfs/dbraw/zinc/95/78/99/565957899.db2.gz XAMGHIDNCQBZSM-MRXNPFEDSA-N 1 0 396.329 2.954 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2C(=O)COc2ccc(Br)cc2)C1 ZINC000653267462 565960709 /nfs/dbraw/zinc/96/07/09/565960709.db2.gz PYNQKTQBNVNIRY-OIISXLGYSA-N 1 0 397.313 2.715 20 0 GFADRO CCO[C@@H]1CN(C(=O)c2ccccc2SCc2cscn2)C[C@H]1C[NH3+] ZINC000653247056 565960755 /nfs/dbraw/zinc/96/07/55/565960755.db2.gz JSLKIXIFCRUZHS-CZUORRHYSA-N 1 0 377.535 2.871 20 0 GFADRO O=C(NCCC1CC[NH2+]CC1)c1cn(-c2ccc(Br)cc2)cn1 ZINC000653272758 565961216 /nfs/dbraw/zinc/96/12/16/565961216.db2.gz ANEDFHKJANIXPX-UHFFFAOYSA-N 1 0 377.286 2.754 20 0 GFADRO CC[C@@H](NC(=O)c1cnn(CC[NH+](C)C)c1)c1nc(C(F)(F)F)cs1 ZINC000631581936 565962697 /nfs/dbraw/zinc/96/26/97/565962697.db2.gz QWGSIYOBWUPJHD-LLVKDONJSA-N 1 0 375.420 2.801 20 0 GFADRO CC[N@@H+]1CCN(C(=O)C[C@@H](NC(C)=O)c2ccc(Br)cc2)C[C@@H]1C ZINC000677176257 565962886 /nfs/dbraw/zinc/96/28/86/565962886.db2.gz FDYJFTUDVSIUGR-SUMWQHHRSA-N 1 0 396.329 2.569 20 0 GFADRO COC1CC[NH+](CCNC(=O)Nc2ccc(Br)c(C3CC3)n2)CC1 ZINC000653330022 565963746 /nfs/dbraw/zinc/96/37/46/565963746.db2.gz QYTJBGCBPSTMHI-UHFFFAOYSA-N 1 0 397.317 2.954 20 0 GFADRO O=C(CN1CCC[N@H+](C[C@H]2CCCO2)CC1)Nc1ccccc1Br ZINC000606437437 565963807 /nfs/dbraw/zinc/96/38/07/565963807.db2.gz UCBPASROTVDEOS-OAHLLOKOSA-N 1 0 396.329 2.574 20 0 GFADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)NCc2n[nH]cc2Br)C1 ZINC000606489251 565966481 /nfs/dbraw/zinc/96/64/81/565966481.db2.gz DIMGKBYRDPOHEG-BETUJISGSA-N 1 0 386.338 2.730 20 0 GFADRO Cc1ccc(F)c(Br)c1NC(=O)NCC1(N2CCOCC2)CC1 ZINC000653479711 565967440 /nfs/dbraw/zinc/96/74/40/565967440.db2.gz TXJCCNGZCXRXQT-UHFFFAOYSA-N 1 0 386.265 2.883 20 0 GFADRO COc1ccc(Br)c(CNC(=O)N2CC[N@H+](C)C[C@H]2C(C)C)c1 ZINC000606647290 565968563 /nfs/dbraw/zinc/96/85/63/565968563.db2.gz RYJGFRIWCVDCRF-INIZCTEOSA-N 1 0 384.318 2.939 20 0 GFADRO C[C@H]([NH2+][C@@H]1C[C@H]1C(F)(F)F)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000631753293 565971083 /nfs/dbraw/zinc/97/10/83/565971083.db2.gz JDSUFSBUQNGQOY-SKWCMTHISA-N 1 0 387.221 2.698 20 0 GFADRO CN(CCCC[NH+](C)C)C(=O)[C@@H]1CCN(c2ccccc2Br)C1=O ZINC000607038489 565976162 /nfs/dbraw/zinc/97/61/62/565976162.db2.gz YAZOOLMNGHMWEO-AWEZNQCLSA-N 1 0 396.329 2.602 20 0 GFADRO Brc1ccc2c(c1)N(C[C@@H]1CCC3(C[NH2+]C3)O1)CC21CCOCC1 ZINC000631835671 565978718 /nfs/dbraw/zinc/97/87/18/565978718.db2.gz DHCWDNVAYPZPIS-HNNXBMFYSA-N 1 0 393.325 2.838 20 0 GFADRO C[C@H]([NH2+]CCc1nnnn1C)c1ccc(Br)cc1Br ZINC000678548958 566012171 /nfs/dbraw/zinc/01/21/71/566012171.db2.gz PZNBETSIZPNPHD-QMMMGPOBSA-N 1 0 389.095 2.628 20 0 GFADRO CC(C)c1cc(Br)ccc1NC(=O)C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000677699721 565981719 /nfs/dbraw/zinc/98/17/19/565981719.db2.gz SFMMAZIOWNSPQY-CYBMUJFWSA-N 1 0 382.302 2.721 20 0 GFADRO CC(C)C[NH+]1CCN(C(=O)Nc2ccc(NS(C)(=O)=O)c(Cl)c2)CC1 ZINC000607215681 565981839 /nfs/dbraw/zinc/98/18/39/565981839.db2.gz MNPLLEVKJXEEDN-UHFFFAOYSA-N 1 0 388.921 2.517 20 0 GFADRO CN(C1CC[NH2+]CC1)S(=O)(=O)N(CCc1ccc(Cl)cc1)CC1CC1 ZINC000631921490 565983322 /nfs/dbraw/zinc/98/33/22/565983322.db2.gz QYGLPBIEGXDGLF-UHFFFAOYSA-N 1 0 385.961 2.523 20 0 GFADRO CN(C1CC[NH2+]CC1)S(=O)(=O)NC(C)(C)Cc1ccc(Cl)cc1Cl ZINC000631925155 565983496 /nfs/dbraw/zinc/98/34/96/565983496.db2.gz OIMFGAVSKQMUJH-UHFFFAOYSA-N 1 0 394.368 2.833 20 0 GFADRO O=S(=O)(N[C@@H]1C[NH2+]C[C@H]1c1ccccc1)c1cscc1Br ZINC000631954185 565985960 /nfs/dbraw/zinc/98/59/60/565985960.db2.gz DSWYHQJMHGHMKE-WCQYABFASA-N 1 0 387.324 2.545 20 0 GFADRO CN(C(=O)[C@H]1CCN(c2cc(Cl)ccc2Cl)C1=O)[C@H]1CCC[N@H+](C)C1 ZINC000607686809 565987915 /nfs/dbraw/zinc/98/79/15/565987915.db2.gz TWBKYIVKHVXXNP-UONOGXRCSA-N 1 0 384.307 2.899 20 0 GFADRO O=S(=O)(c1cc(Cl)ccc1OC(F)F)N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631993087 565989611 /nfs/dbraw/zinc/98/96/11/565989611.db2.gz KLVIPASSGIBFJJ-PWSUYJOCSA-N 1 0 380.844 2.704 20 0 GFADRO O=C(COc1ccc(Br)cn1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000632012623 565990575 /nfs/dbraw/zinc/99/05/75/565990575.db2.gz VCMSFFZUZMJMLW-XJKSGUPXSA-N 1 0 394.313 2.698 20 0 GFADRO CC(C)([NH2+]CC(=O)N1CCOC[C@H]1C1CC1)c1ccc(Br)cc1 ZINC000678007733 565993507 /nfs/dbraw/zinc/99/35/07/565993507.db2.gz SVNGXQQWKBATET-INIZCTEOSA-N 1 0 381.314 2.911 20 0 GFADRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)c2ccc(-n3cc(Br)cn3)cc2)C1 ZINC000654068579 565994610 /nfs/dbraw/zinc/99/46/10/565994610.db2.gz CGXYMKYOVJPLIW-DRQUAOQDSA-N 1 0 377.286 2.705 20 0 GFADRO C[C@@H](C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1)c1ccc(Br)cc1 ZINC000678048638 565996255 /nfs/dbraw/zinc/99/62/55/565996255.db2.gz XYLAJROVOKNCSC-CXAGYDPISA-N 1 0 381.314 2.922 20 0 GFADRO CCOc1c(Br)cc(C[NH2+][C@@H]2CC(=O)N([C@@H]3C[C@@H]3C)C2)cc1OC ZINC000608073183 566002245 /nfs/dbraw/zinc/00/22/45/566002245.db2.gz YNLLMUDLRYZYBT-NJZAAPMLSA-N 1 0 397.313 2.955 20 0 GFADRO C[C@@H]1C[C@H]1N1C[C@@H]([NH2+]Cc2cc(Br)c3c(c2)OCCCO3)CC1=O ZINC000608072833 566002567 /nfs/dbraw/zinc/00/25/67/566002567.db2.gz VTSMCOSIACYEES-OSAQELSMSA-N 1 0 395.297 2.709 20 0 GFADRO Cc1c(Br)csc1C(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000632144887 566004083 /nfs/dbraw/zinc/00/40/83/566004083.db2.gz ORUQJUWZPAWEQO-UHFFFAOYSA-N 1 0 375.332 2.738 20 0 GFADRO COCC[N@@H+]1CCC[C@H](NC(=O)c2sc(C)c(Br)c2OC)C1 ZINC000608128804 566004527 /nfs/dbraw/zinc/00/45/27/566004527.db2.gz UOHDAIRAHSIGNR-NSHDSACASA-N 1 0 391.331 2.668 20 0 GFADRO CN(C)C(=O)CC[NH+]1CCN(Cc2c(Cl)cccc2OC(F)F)CC1 ZINC000678282862 566004624 /nfs/dbraw/zinc/00/46/24/566004624.db2.gz MGONBYHMAYZCFC-UHFFFAOYSA-N 1 0 375.847 2.537 20 0 GFADRO O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1cc2c(c(Br)c1)OCO2 ZINC000654308827 566004865 /nfs/dbraw/zinc/00/48/65/566004865.db2.gz RREDDFGPFJOTJN-ZIAGYGMSSA-N 1 0 381.270 2.925 20 0 GFADRO COc1cc(CN2C[C@H]3C[NH2+]C[C@@H]3C2)cc(Br)c1OC(F)F ZINC000678342992 566007653 /nfs/dbraw/zinc/00/76/53/566007653.db2.gz KCUYDYLONQTPFR-GHMZBOCLSA-N 1 0 377.229 2.710 20 0 GFADRO Cn1ccc(N2CCC[C@H]([NH2+][C@@H]3CCc4cc(Br)ccc43)C2=O)n1 ZINC000608372771 566012227 /nfs/dbraw/zinc/01/22/27/566012227.db2.gz UEKPNHQLJNKKKO-CVEARBPZSA-N 1 0 389.297 2.955 20 0 GFADRO COCCOC[C@@H]1CC[N@H+](C[C@@H](O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000608504904 566015738 /nfs/dbraw/zinc/01/57/38/566015738.db2.gz JBBJMPWKJYFIJO-ZIAGYGMSSA-N 1 0 378.296 2.718 20 0 GFADRO CCC(C)(C)[NH+]1CCN(C(=O)N[C@H](C)c2ncc(Br)cn2)CC1 ZINC000654573787 566016193 /nfs/dbraw/zinc/01/61/93/566016193.db2.gz OFFOTGJDUODARJ-GFCCVEGCSA-N 1 0 384.322 2.816 20 0 GFADRO CCN(CC[N-]S(=O)(=O)c1onc(C2CC2)c1Cl)CCC(F)(F)F ZINC000632274617 566016191 /nfs/dbraw/zinc/01/61/91/566016191.db2.gz INBFRNQVYRQTGJ-UHFFFAOYSA-N 1 0 389.827 2.758 20 0 GFADRO C[C@H](CNC(=O)N[C@@H]1CC[N@@H+](C2CC2)C1)Oc1cccc(Br)c1 ZINC000608685140 566021357 /nfs/dbraw/zinc/02/13/57/566021357.db2.gz ZNVWNGPKXMYOJY-TZMCWYRMSA-N 1 0 382.302 2.752 20 0 GFADRO O=C1NC(=O)C2(CCC([NH2+][C@@H]3CCc4cc(Br)ccc43)CC2)N1 ZINC000678932121 566025293 /nfs/dbraw/zinc/02/52/93/566025293.db2.gz RNSDPLWNSPIUKB-KDJCLPLCSA-N 1 0 378.270 2.547 20 0 GFADRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)C1 ZINC000654886796 566028498 /nfs/dbraw/zinc/02/84/98/566028498.db2.gz NVQOSWFFFSDOHO-JGZJWPJOSA-N 1 0 377.794 2.754 20 0 GFADRO CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc(F)cc1Br ZINC000632408077 566029678 /nfs/dbraw/zinc/02/96/78/566029678.db2.gz RRRYTTSALGDKKA-UHFFFAOYSA-N 1 0 379.295 2.693 20 0 GFADRO CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc(Br)c(OC)c1 ZINC000632408161 566029771 /nfs/dbraw/zinc/02/97/71/566029771.db2.gz VVBRQIZNFLNPNI-UHFFFAOYSA-N 1 0 391.331 2.563 20 0 GFADRO NC(=O)C[C@@H]1CCCC[N@@H+]1Cc1cc2c(cc1Br)OCCCO2 ZINC000679129014 566030389 /nfs/dbraw/zinc/03/03/89/566030389.db2.gz CNTCWRMVTRCDKH-ZDUSSCGKSA-N 1 0 383.286 2.840 20 0 GFADRO O=C(Nc1cc(F)ccc1Br)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000654947700 566031870 /nfs/dbraw/zinc/03/18/70/566031870.db2.gz UMZJUZZNKINISX-HIFRSBDPSA-N 1 0 398.276 2.660 20 0 GFADRO O=C(c1ccc(I)c(F)c1)N1CC[NH+](CC2CC2)CC1 ZINC000609164801 566031993 /nfs/dbraw/zinc/03/19/93/566031993.db2.gz GAYBOJCVRQSZCG-UHFFFAOYSA-N 1 0 388.224 2.598 20 0 GFADRO O[C@H](CN[C@@H](c1ccc(Br)cc1)[C@@H]1CCCO1)C[NH+]1CCCC1 ZINC000679338934 566037698 /nfs/dbraw/zinc/03/76/98/566037698.db2.gz KJGLPMKTLMCOPY-SQNIBIBYSA-N 1 0 383.330 2.716 20 0 GFADRO CC(C)(C)C[N@H+](CCO)CC(=O)Nc1cccc(I)c1 ZINC000609483494 566040042 /nfs/dbraw/zinc/04/00/42/566040042.db2.gz NHNHHJWQCMFWQN-UHFFFAOYSA-N 1 0 390.265 2.570 20 0 GFADRO CC(C)(C)C[N@H+](CCO)CC(=O)Nc1ccccc1I ZINC000609483479 566040656 /nfs/dbraw/zinc/04/06/56/566040656.db2.gz LBEHHQAQSKPGCO-UHFFFAOYSA-N 1 0 390.265 2.570 20 0 GFADRO O=S1(=O)CC[C@@]2(C1)C[C@H]([NH2+]Cc1c(Cl)ccc3cccnc31)CCO2 ZINC000679718468 566050490 /nfs/dbraw/zinc/05/04/90/566050490.db2.gz AYKYXOZLYPSVLX-KDOFPFPSSA-N 1 0 380.897 2.714 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)CCC[N@@H+](C)[C@H]1CCNC1=O ZINC000679821194 566053886 /nfs/dbraw/zinc/05/38/86/566053886.db2.gz GFHXIBDWTRJESG-AWEZNQCLSA-N 1 0 382.302 2.605 20 0 GFADRO O=C([C@@H]1C[C@]12CCC[NH2+]C2)N1CCN(Cc2ccc(Br)s2)CC1 ZINC000655442865 566056921 /nfs/dbraw/zinc/05/69/21/566056921.db2.gz DKTOETDDPNWNQC-YOEHRIQHSA-N 1 0 398.370 2.545 20 0 GFADRO O=C(Nc1cc(Br)ccc1N1CCOCC1)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000655442860 566057360 /nfs/dbraw/zinc/05/73/60/566057360.db2.gz DKQFMVORTGBDLV-KSSFIOAISA-N 1 0 394.313 2.614 20 0 GFADRO Cc1c(Br)cccc1CS(=O)(=O)NC[C@@H](C)[NH+]1CCCC1 ZINC000655474162 566058278 /nfs/dbraw/zinc/05/82/78/566058278.db2.gz XHGMSAINUYQDBR-GFCCVEGCSA-N 1 0 375.332 2.661 20 0 GFADRO COCCOc1ccc(Br)cc1NC(=O)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000655468284 566058543 /nfs/dbraw/zinc/05/85/43/566058543.db2.gz YWYOJAIUYYCHCZ-DYVFJYSZSA-N 1 0 383.286 2.803 20 0 GFADRO Cc1sc2nc(C)nc(SCC(=O)N[C@@H](C[NH3+])C(F)(F)F)c2c1C ZINC000655507446 566060873 /nfs/dbraw/zinc/06/08/73/566060873.db2.gz SRTCBJPBIDYTNC-VIFPVBQESA-N 1 0 378.445 2.714 20 0 GFADRO C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000655508116 566061280 /nfs/dbraw/zinc/06/12/80/566061280.db2.gz BLCZXAVLTCMLSE-LHLIQPBNSA-N 1 0 389.599 2.876 20 0 GFADRO [NH3+]C[C@@H](NC(=O)CCc1nc2cc(Br)ccc2s1)C(F)(F)F ZINC000655516207 566062614 /nfs/dbraw/zinc/06/26/14/566062614.db2.gz PYKHUZDNWSULFV-SNVBAGLBSA-N 1 0 396.232 2.997 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc(I)c[nH]2)C[C@@H]1C ZINC000610125541 566067309 /nfs/dbraw/zinc/06/73/09/566067309.db2.gz BQZLGCBXKNXUSO-JQWIXIFHSA-N 1 0 375.254 2.564 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2ccc(C(=O)OC)cc2Cl)C[C@@H]1C ZINC000610135179 566067932 /nfs/dbraw/zinc/06/79/32/566067932.db2.gz MCDRERHAROBNHQ-JSGCOSHPSA-N 1 0 388.917 2.620 20 0 GFADRO CCC(=O)N1CCC([NH2+]CCc2cn3cc(Br)cc(C)c3n2)CC1 ZINC000680469408 566071852 /nfs/dbraw/zinc/07/18/52/566071852.db2.gz DVQNHHANKGUHMJ-UHFFFAOYSA-N 1 0 393.329 2.938 20 0 GFADRO O=C([C@@H]1CCOc2ccc(Br)cc21)N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000632864475 566072329 /nfs/dbraw/zinc/07/23/29/566072329.db2.gz OXEKVROYTSWEMX-JGGQBBKZSA-N 1 0 379.298 2.916 20 0 GFADRO CCOCCOc1ccc(Br)cc1NC(=O)N1C[C@H]([NH3+])C[C@H]1C ZINC000632931002 566075448 /nfs/dbraw/zinc/07/54/48/566075448.db2.gz RRORJNYKRNPGQY-DGCLKSJQSA-N 1 0 386.290 2.818 20 0 GFADRO CC1(C)C[NH2+]CC[C@@H](NC(=O)Nc2ccc(NS(C)(=O)=O)c(Cl)c2)C1 ZINC000632934320 566075579 /nfs/dbraw/zinc/07/55/79/566075579.db2.gz QJTAOEKPSXFULM-GFCCVEGCSA-N 1 0 388.921 2.611 20 0 GFADRO [NH3+]CC1(NC(=O)Nc2ccnn2-c2ccc(Br)cn2)CCCCC1 ZINC000632942550 566076641 /nfs/dbraw/zinc/07/66/41/566076641.db2.gz PHXDLAIXLYIPSR-UHFFFAOYSA-N 1 0 393.289 2.813 20 0 GFADRO Cc1cc(Br)ccc1C(=O)N1CCC([NH2+]C[C@@H]2CCOC2)CC1 ZINC000680634956 566079352 /nfs/dbraw/zinc/07/93/52/566079352.db2.gz BWRMYBPLVCKQPD-AWEZNQCLSA-N 1 0 381.314 2.988 20 0 GFADRO CC(C)Oc1cc(NC(=O)C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)ccc1Br ZINC000633007039 566079377 /nfs/dbraw/zinc/07/93/77/566079377.db2.gz ZDDSSVWPRBVETR-NEPJUHHUSA-N 1 0 398.301 2.561 20 0 GFADRO [NH3+]C[C@H]1CC[C@H](NC(=O)C(=O)Nc2cccc(Br)c2Cl)CC1 ZINC000633035876 566080606 /nfs/dbraw/zinc/08/06/06/566080606.db2.gz HMBASXYVVUDCHT-MGCOHNPYSA-N 1 0 388.693 2.675 20 0 GFADRO Cc1nn(-c2ccccc2Br)cc1C[NH2+]C[C@@]1(O)CCO[C@@H]1C ZINC000655768679 566088354 /nfs/dbraw/zinc/08/83/54/566088354.db2.gz MCFZPVWKKLUJOZ-DYVFJYSZSA-N 1 0 380.286 2.573 20 0 GFADRO C[C@H](c1ccccc1)[C@H](CO)[NH2+]C[C@@H](O)COc1cccc(Br)c1 ZINC000680990177 566089929 /nfs/dbraw/zinc/08/99/29/566089929.db2.gz ILOCJKCEBYKPGV-BJZITVGISA-N 1 0 394.309 2.943 20 0 GFADRO C[C@H](c1ccccc1)[C@@H](CO)[NH2+]C[C@H](O)COc1ccc(Br)cc1 ZINC000680989188 566090514 /nfs/dbraw/zinc/09/05/14/566090514.db2.gz DQDXUTBTDKPEKL-DKSSEZFCSA-N 1 0 394.309 2.943 20 0 GFADRO C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1cc(Br)c3nccn3c1)C2 ZINC000633254868 566091875 /nfs/dbraw/zinc/09/18/75/566091875.db2.gz YYLROQJFHXPEFP-KRWDZBQOSA-N 1 0 377.286 2.655 20 0 GFADRO C[C@H](Cc1cc(Br)ccc1F)NC(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000655920527 566095294 /nfs/dbraw/zinc/09/52/94/566095294.db2.gz IARYIDCZAYGGHZ-RDDDGLTNSA-N 1 0 386.187 2.708 20 0 GFADRO CC(C)(CNC(=O)N[C@@H](C[NH3+])C(F)(F)F)c1ccc(Br)cc1 ZINC000655910752 566095612 /nfs/dbraw/zinc/09/56/12/566095612.db2.gz BMGVOHVYUNWLCV-NSHDSACASA-N 1 0 382.224 2.916 20 0 GFADRO C[C@@H](c1ccc(Cl)cc1)N1CCN(C(=O)N[C@H](C[NH3+])C(F)(F)F)CC1 ZINC000655917950 566095854 /nfs/dbraw/zinc/09/58/54/566095854.db2.gz BURRDNAPMSSIRZ-SMDDNHRTSA-N 1 0 378.826 2.618 20 0 GFADRO CCN(C(=O)c1ccc2cncc(Br)c2n1)C1CC[NH+](C)CC1 ZINC000633305185 566096065 /nfs/dbraw/zinc/09/60/65/566096065.db2.gz GUOJMVRNTGOEPE-UHFFFAOYSA-N 1 0 377.286 2.949 20 0 GFADRO C[NH+](C)Cc1ccccc1NC(=O)CNC(=O)c1ccc(Br)cc1 ZINC000681177951 566096896 /nfs/dbraw/zinc/09/68/96/566096896.db2.gz KRFIVPGUYMVQJM-UHFFFAOYSA-N 1 0 390.281 2.879 20 0 GFADRO CC[C@@H]1[C@@H](C(=O)Nc2cc(N3CCOCC3)ccc2Br)CC[N@@H+]1C ZINC000633345622 566098085 /nfs/dbraw/zinc/09/80/85/566098085.db2.gz OQBKSPSHOACZRR-WMLDXEAASA-N 1 0 396.329 2.955 20 0 GFADRO CCCN([C@@H]1CC[NH2+]C1)S(=O)(=O)Cc1cccc(Br)c1C ZINC000655951825 566098704 /nfs/dbraw/zinc/09/87/04/566098704.db2.gz YTHWCOHSJNSEQD-CQSZACIVSA-N 1 0 375.332 2.661 20 0 GFADRO C[C@@H](NC(=O)N1CCC[C@H]([NH+]2CCCC2)C1)c1ncc(Br)cn1 ZINC000655962208 566098832 /nfs/dbraw/zinc/09/88/32/566098832.db2.gz NSQGRYJASYIASL-OCCSQVGLSA-N 1 0 382.306 2.570 20 0 GFADRO C[C@H](NC(=O)N1CCC[C@H]([NH+]2CCCC2)C1)c1ncc(Br)cn1 ZINC000655962207 566099411 /nfs/dbraw/zinc/09/94/11/566099411.db2.gz NSQGRYJASYIASL-JSGCOSHPSA-N 1 0 382.306 2.570 20 0 GFADRO CC[C@@H](C[NH+]1CCCC1)NS(=O)(=O)c1ccc(Br)cc1F ZINC000681258031 566100667 /nfs/dbraw/zinc/10/06/67/566100667.db2.gz KWYFXVMGJGQWMY-LBPRGKRZSA-N 1 0 379.295 2.741 20 0 GFADRO C[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3[C@@H]4Cc5cc(Br)ccc5[C@@H]43)[C@@H]2C1 ZINC000633492305 566106620 /nfs/dbraw/zinc/10/66/20/566106620.db2.gz ZUGZHRMWFOTDIZ-XOYXNHQRSA-N 1 0 375.310 2.887 20 0 GFADRO CSc1cc(N2CCC(N3CC[NH+](C(C)C)CC3)CC2)nc(SC)n1 ZINC000656151368 566106697 /nfs/dbraw/zinc/10/66/97/566106697.db2.gz GKGGHKBXVXYNGO-UHFFFAOYSA-N 1 0 381.615 2.915 20 0 GFADRO O=C(c1cc(Br)cs1)N1CCc2[nH]cnc2C12CCOCC2 ZINC000633526309 566108297 /nfs/dbraw/zinc/10/82/97/566108297.db2.gz OCUOVEKPUQQQRB-UHFFFAOYSA-N 1 0 382.283 2.938 20 0 GFADRO CC[NH+]1CCN(CCC(=O)N2CCc3cc(C)cc(Br)c3C2)CC1 ZINC000633732814 566117590 /nfs/dbraw/zinc/11/75/90/566117590.db2.gz OXJCNLJSFLYBRF-UHFFFAOYSA-N 1 0 394.357 2.670 20 0 GFADRO Cc1nn(-c2ccccc2Br)cc1C[NH+]1CCC(OCCO)CC1 ZINC000656256727 566118667 /nfs/dbraw/zinc/11/86/67/566118667.db2.gz YPZJFLPAEJSUDV-UHFFFAOYSA-N 1 0 394.313 2.917 20 0 GFADRO O[C@H](COc1ccc(Cl)c(Cl)c1)C[NH+]1CCC(Cn2cncn2)CC1 ZINC000681703463 566123311 /nfs/dbraw/zinc/12/33/11/566123311.db2.gz BLMBSGVYMNMJHJ-AWEZNQCLSA-N 1 0 385.295 2.737 20 0 GFADRO O=C(CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)c1cncc(Br)c1 ZINC000633931119 566131142 /nfs/dbraw/zinc/13/11/42/566131142.db2.gz UONJCTMQMFMINH-HNNXBMFYSA-N 1 0 380.286 2.550 20 0 GFADRO Ic1ccc2c(c1)[C@@H]([NH2+]CCCn1cncn1)CCCO2 ZINC000611472534 566132915 /nfs/dbraw/zinc/13/29/15/566132915.db2.gz CTUUDHJTOQRLKY-AWEZNQCLSA-N 1 0 398.248 2.776 20 0 GFADRO Cc1c(Br)c[nH]c(=O)c1C(=O)N1CCC(C)([NH+]2CCCC2)CC1 ZINC000633949297 566132973 /nfs/dbraw/zinc/13/29/73/566132973.db2.gz NXQPONNJTUWYQQ-UHFFFAOYSA-N 1 0 382.302 2.949 20 0 GFADRO C[C@@H](CC(=O)N1CC[N@H+](CCO)C(C)(C)C1)c1ccc(Br)cc1 ZINC000682006173 566139174 /nfs/dbraw/zinc/13/91/74/566139174.db2.gz HFNYXNFUEMMNNK-AWEZNQCLSA-N 1 0 383.330 2.858 20 0 GFADRO C[NH+]1CCC(n2cc(NC(=O)c3c(F)cncc3Br)cn2)CC1 ZINC000634098235 566143644 /nfs/dbraw/zinc/14/36/44/566143644.db2.gz USJWUPSLWTWELN-UHFFFAOYSA-N 1 0 382.237 2.699 20 0 GFADRO CSc1nnc(CNC(=O)N2CC[C@@H]([N@H+](C)Cc3ccccc3)C2)s1 ZINC000682126356 566145318 /nfs/dbraw/zinc/14/53/18/566145318.db2.gz MLJBBTCEDQZSSZ-CQSZACIVSA-N 1 0 377.539 2.676 20 0 GFADRO C[N@@H+]1CCC[C@@H](NC(=O)NCCc2c[nH]c3cccc(Br)c23)C1 ZINC000634133801 566145747 /nfs/dbraw/zinc/14/57/47/566145747.db2.gz YBRWCEUSDBRQQS-CYBMUJFWSA-N 1 0 379.302 2.866 20 0 GFADRO Cc1ccc(NC(=O)C(=O)N[C@H](C)C2CC[NH+](C)CC2)c(Br)c1 ZINC000682193218 566146221 /nfs/dbraw/zinc/14/62/21/566146221.db2.gz SXOZBGMWUOFYSB-GFCCVEGCSA-N 1 0 382.302 2.543 20 0 GFADRO Cc1cc(Br)cc(NC(=O)C(=O)N[C@H](C)C2CC[NH+](C)CC2)c1 ZINC000682191954 566146970 /nfs/dbraw/zinc/14/69/70/566146970.db2.gz GGNQEDLSQRLCRM-GFCCVEGCSA-N 1 0 382.302 2.543 20 0 GFADRO Cc1cc(C(F)(F)F)ccc1C[NH2+][C@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1 ZINC000682374371 566151360 /nfs/dbraw/zinc/15/13/60/566151360.db2.gz SBHPIBMZMBFGCI-HOTGVXAUSA-N 1 0 377.428 2.840 20 0 GFADRO C[C@]([NH3+])(C(=O)Nc1nnc([C@@H]2CCCO2)s1)c1ccc(Br)cc1 ZINC000634308066 566153107 /nfs/dbraw/zinc/15/31/07/566153107.db2.gz IJNZRSUUUBZLCO-XHDPSFHLSA-N 1 0 397.298 2.965 20 0 GFADRO Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)c3c[nH]c(=O)c(Br)c3)C2)cc1 ZINC000634456825 566155806 /nfs/dbraw/zinc/15/58/06/566155806.db2.gz LPPZRAXIFOCORP-OAHLLOKOSA-N 1 0 390.281 2.862 20 0 GFADRO COc1cc(Br)ccc1[C@H](C)[NH2+]CC[C@H]1CCS(=O)(=O)C1 ZINC000682540417 566161623 /nfs/dbraw/zinc/16/16/23/566161623.db2.gz TZKCNGVMPSTRLL-RYUDHWBXSA-N 1 0 376.316 2.933 20 0 GFADRO O[C@H](COc1cc(Cl)cc(Cl)c1)CN1CC[NH+](C2CCOCC2)CC1 ZINC000634645118 566163046 /nfs/dbraw/zinc/16/30/46/566163046.db2.gz HFDMYIFHBPGYLV-KRWDZBQOSA-N 1 0 389.323 2.530 20 0 GFADRO CS(=O)(=O)CC1(CC[NH2+]C[C@@H](O)COc2cc(Cl)cc(Cl)c2)CC1 ZINC000634649744 566163748 /nfs/dbraw/zinc/16/37/48/566163748.db2.gz UBORINACDDTFBG-CQSZACIVSA-N 1 0 396.336 2.538 20 0 GFADRO CCCOc1ccc(Br)cc1S(=O)(=O)NCC[NH+]1CCCC1 ZINC000656867814 566170410 /nfs/dbraw/zinc/17/04/10/566170410.db2.gz UZJIPTKKKVQFGG-UHFFFAOYSA-N 1 0 391.331 2.612 20 0 GFADRO O[C@H](C[NH2+][C@@H]1CCO[C@@]2(CCOC2)C1)COc1cc(Cl)cc(Cl)c1 ZINC000634709580 566170842 /nfs/dbraw/zinc/17/08/42/566170842.db2.gz LDWZPDRKHXVGBN-INMHGKMJSA-N 1 0 376.280 2.661 20 0 GFADRO O[C@H](C[NH2+][C@H]1CCO[C@@]2(CCOC2)C1)COc1cc(Cl)cc(Cl)c1 ZINC000634709581 566171201 /nfs/dbraw/zinc/17/12/01/566171201.db2.gz LDWZPDRKHXVGBN-UXLLHSPISA-N 1 0 376.280 2.661 20 0 GFADRO C[C@](O)(C[C@H](O)C[NH2+][C@H]1CCN(c2ccc(Br)cc2)C1)C1CC1 ZINC000634702660 566171244 /nfs/dbraw/zinc/17/12/44/566171244.db2.gz JUQFUWFAQDKZFQ-SZMVWBNQSA-N 1 0 383.330 2.529 20 0 GFADRO Cc1nc(CS(=O)(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cs1 ZINC000682836296 566171832 /nfs/dbraw/zinc/17/18/32/566171832.db2.gz RUHSCGZJAWOKEQ-KBXCAEBGSA-N 1 0 379.551 2.782 20 0 GFADRO CC(=O)N1CCC[C@@H](C[NH2+]C[C@H](O)COc2cc(Cl)cc(Cl)c2)C1 ZINC000634713084 566171988 /nfs/dbraw/zinc/17/19/88/566171988.db2.gz QCBDTVPOMMQBGK-BBRMVZONSA-N 1 0 375.296 2.581 20 0 GFADRO O[C@H](C[NH2+]CCc1ccc(Br)cc1Cl)CC1(O)CCOCC1 ZINC000634715833 566172076 /nfs/dbraw/zinc/17/20/76/566172076.db2.gz KQKHQRAEEMARGQ-AWEZNQCLSA-N 1 0 392.721 2.527 20 0 GFADRO C[C@@](O)(C[C@H](O)C[NH2+]CCC(=O)Nc1cc(Cl)cc(Cl)c1)C1CC1 ZINC000634714738 566172176 /nfs/dbraw/zinc/17/21/76/566172176.db2.gz QFWBBQNBYQQSNT-DOTOQJQBSA-N 1 0 375.296 2.824 20 0 GFADRO COC[C@H](C)OC[C@@H](O)C[NH2+][C@@H](C)c1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC000634727248 566172992 /nfs/dbraw/zinc/17/29/92/566172992.db2.gz OLVIMEACRSMOGG-DCAQKATOSA-N 1 0 376.284 2.933 20 0 GFADRO Cc1ccc(C(=O)N2CCN(CC[NH+]3CCCC3)CC2)c(C)c1Br ZINC000682852491 566173362 /nfs/dbraw/zinc/17/33/62/566173362.db2.gz GVDNJOHREVCKQL-UHFFFAOYSA-N 1 0 394.357 2.920 20 0 GFADRO Cn1ncc(Br)c1C[NH2+]C[C@@H](O)CO[C@H]1CCCc2ccccc21 ZINC000634726021 566173529 /nfs/dbraw/zinc/17/35/29/566173529.db2.gz JQCWSQCFGLQCOM-KDOFPFPSSA-N 1 0 394.313 2.727 20 0 GFADRO O[C@@H](COc1ccc(Br)cc1)C[N@@H+]1CCO[C@H](C(F)F)CC1 ZINC000634749969 566174994 /nfs/dbraw/zinc/17/49/94/566174994.db2.gz JWYRLFFJWXXUBO-OCCSQVGLSA-N 1 0 380.229 2.545 20 0 GFADRO C[C@H]([NH2+]CCc1nnnn1C)c1ccc(Br)cc1C(F)(F)F ZINC000682909302 566176000 /nfs/dbraw/zinc/17/60/00/566176000.db2.gz VHMCZXGNQBZGLG-QMMMGPOBSA-N 1 0 378.196 2.885 20 0 GFADRO CC(C)[NH2+][C@H]1CCCN(C(=O)c2ccc(I)c(O)c2)C1 ZINC000612846831 566177028 /nfs/dbraw/zinc/17/70/28/566177028.db2.gz FNTKVCVOYXXYRA-LBPRGKRZSA-N 1 0 388.249 2.599 20 0 GFADRO CC[C@H](C)[N@H+](C)CCNS(=O)(=O)Cc1cc(F)ccc1Br ZINC000656896633 566177730 /nfs/dbraw/zinc/17/77/30/566177730.db2.gz JBJHMNRNDBRZSX-NSHDSACASA-N 1 0 381.311 2.738 20 0 GFADRO C[C@H](NC(=O)N[C@@]1(C)CC[NH2+]C1)c1nc(-c2ccc(Br)cc2)no1 ZINC000612892971 566179134 /nfs/dbraw/zinc/17/91/34/566179134.db2.gz ZFJVYBJULLZLPL-QFYYESIMSA-N 1 0 394.273 2.611 20 0 GFADRO C[C@@H](CNC(=O)N[C@@H]1CC12CC[NH2+]CC2)Oc1ccccc1Br ZINC000612977717 566180117 /nfs/dbraw/zinc/18/01/17/566180117.db2.gz RJWQVIDTFGQWMK-SWLSCSKDSA-N 1 0 382.302 2.658 20 0 GFADRO C[C@@H]1C[C@@H](NS(=O)(=O)c2cc(Cl)cc(Br)c2)CC[N@@H+]1C ZINC000656918069 566183501 /nfs/dbraw/zinc/18/35/01/566183501.db2.gz KLKQMFGYCIKAMG-SKDRFNHKSA-N 1 0 381.723 2.864 20 0 GFADRO Cc1c(F)c(Br)ccc1C(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000613036782 566184053 /nfs/dbraw/zinc/18/40/53/566184053.db2.gz XEIMWQXYKPZJCH-UHFFFAOYSA-N 1 0 387.293 2.815 20 0 GFADRO CC[NH+](CC)CCO[C@@H]1CCN(S(=O)(=O)Cc2cc(F)ccc2Cl)C1 ZINC000656924438 566184798 /nfs/dbraw/zinc/18/47/98/566184798.db2.gz ICJWLMPGZDQIHZ-MRXNPFEDSA-N 1 0 392.924 2.742 20 0 GFADRO C[C@H](C[NH2+][C@@H]1CCCS(=O)(=O)CC1)Oc1ccc(Br)cc1 ZINC000634965367 566186071 /nfs/dbraw/zinc/18/60/71/566186071.db2.gz IYSUUXUEESFQFE-TZMCWYRMSA-N 1 0 376.316 2.773 20 0 GFADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)Nc1cc(C)c(Br)c(C)c1 ZINC000683165719 566186585 /nfs/dbraw/zinc/18/65/85/566186585.db2.gz QEWLSMKPYCQVBT-AWEZNQCLSA-N 1 0 396.329 2.995 20 0 GFADRO OCC[NH2+]C1CCN(Cc2cccc(Br)c2OC(F)F)CC1 ZINC000635001205 566188249 /nfs/dbraw/zinc/18/82/49/566188249.db2.gz KFSSUTAQJRAFPR-UHFFFAOYSA-N 1 0 379.245 2.597 20 0 GFADRO C[C@H](NS(=O)(=O)c1ncccc1Br)[C@@H](c1ccccc1)[NH+](C)C ZINC000656961044 566194251 /nfs/dbraw/zinc/19/42/51/566194251.db2.gz FHMLMHWDWVZMNP-WFASDCNBSA-N 1 0 398.326 2.814 20 0 GFADRO CN(CC(=O)Nc1ccccc1Br)C(=O)[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000635107530 566194381 /nfs/dbraw/zinc/19/43/81/566194381.db2.gz TZDWOJFAFIIFJG-INIZCTEOSA-N 1 0 394.313 2.863 20 0 GFADRO CCC(=O)N1CCC([NH2+][C@@H]2CCN(c3cccc(Br)c3)C2=O)CC1 ZINC000683340250 566194661 /nfs/dbraw/zinc/19/46/61/566194661.db2.gz GDDPFCHOLIYDNF-MRXNPFEDSA-N 1 0 394.313 2.545 20 0 GFADRO CCC1([NH+](C)C)CCN(C(=O)C(=O)Nc2ccccc2Br)CC1 ZINC000635302286 566204327 /nfs/dbraw/zinc/20/43/27/566204327.db2.gz IOWDJCBPTVWJHN-UHFFFAOYSA-N 1 0 382.302 2.720 20 0 GFADRO C[NH+](C)CC1(C(=O)NC[C@@H]2CCN(c3cccc(Br)c3)C2)CC1 ZINC000635419228 566212148 /nfs/dbraw/zinc/21/21/48/566212148.db2.gz OQBPLYZAYCMIJO-AWEZNQCLSA-N 1 0 380.330 2.733 20 0 GFADRO C[C@H]([NH2+]Cc1c(Br)cnn1C)[C@H](c1ccccc1)N1CCOCC1 ZINC000683763889 566213235 /nfs/dbraw/zinc/21/32/35/566213235.db2.gz HZYAMFDUKRPJDF-KBXCAEBGSA-N 1 0 393.329 2.734 20 0 GFADRO COc1cc(S(=O)(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)ccc1Br ZINC000657060965 566214905 /nfs/dbraw/zinc/21/49/05/566214905.db2.gz KUDPBZVOOADKKT-LLVKDONJSA-N 1 0 391.331 2.609 20 0 GFADRO CC(=O)Nc1cc(F)c(S(=O)(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)cc1Cl ZINC000657060073 566215052 /nfs/dbraw/zinc/21/50/52/566215052.db2.gz CTUYFJVSEPQYMJ-NSHDSACASA-N 1 0 391.896 2.589 20 0 GFADRO C[NH+](C)CC1(C(=O)NC2CCN(Cc3ccc(Br)cc3)CC2)CC1 ZINC000635692492 566222720 /nfs/dbraw/zinc/22/27/20/566222720.db2.gz OMWFVCLLCHUTFQ-UHFFFAOYSA-N 1 0 394.357 2.872 20 0 GFADRO Cc1nc(CS(=O)(=O)N[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cs1 ZINC000684107045 566227277 /nfs/dbraw/zinc/22/72/77/566227277.db2.gz RMUPIOPICUWCCF-RHSMWYFYSA-N 1 0 379.551 2.782 20 0 GFADRO O=C(CCn1cc(Br)cn1)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000684229252 566231270 /nfs/dbraw/zinc/23/12/70/566231270.db2.gz QHQNQYNVDTUPRK-INIZCTEOSA-N 1 0 391.313 2.674 20 0 GFADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)NCCCCn1cc(Br)cn1 ZINC000684273512 566231519 /nfs/dbraw/zinc/23/15/19/566231519.db2.gz MOKDCXVNEHHAFQ-HNNXBMFYSA-N 1 0 386.338 2.599 20 0 GFADRO O=C(N[C@H](CO)c1ccc(Br)cc1)NC1CC([NH+]2CCCCC2)C1 ZINC000684418339 566235558 /nfs/dbraw/zinc/23/55/58/566235558.db2.gz VEGXSPJKMBZVHA-OFLPRAFFSA-N 1 0 396.329 2.799 20 0 GFADRO Cc1c(NC(=O)CC[N@@H+]2CCc3ccccc3C2)c(=O)n(-c2ccccc2)n1C ZINC000012771665 571025702 /nfs/dbraw/zinc/02/57/02/571025702.db2.gz BWUOAKHADLQFMA-UHFFFAOYSA-N 1 0 390.487 2.871 20 0 GFADRO C[C@@H]1CC[C@H](NC(=O)N(CC[NH+](C)C)Cc2ccc(-c3nn[nH]n3)cc2)[C@@H](C)C1 ZINC000736241499 598853786 /nfs/dbraw/zinc/85/37/86/598853786.db2.gz PGYFSTGIXFENDM-GJYPPUQNSA-N 1 0 399.543 2.765 20 0 GFADRO CC[C@@H]1c2ccccc2CC[N@H+]1C[C@@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000736405239 598916656 /nfs/dbraw/zinc/91/66/56/598916656.db2.gz DXPKSWDYZOQTBS-YLJYHZDGSA-N 1 0 379.464 2.616 20 0 GFADRO CC1CCC(=CC(=O)N(CC[NH+](C)C)Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000736234764 598927840 /nfs/dbraw/zinc/92/78/40/598927840.db2.gz BXPNQYQQUMPYHH-UHFFFAOYSA-N 1 0 382.512 2.893 20 0 GFADRO C[NH+](C)CCCCNC(=O)c1cccc(COc2ccccc2-c2nn[nH]n2)c1 ZINC000736759137 598933078 /nfs/dbraw/zinc/93/30/78/598933078.db2.gz NRXWDUBEXGORPP-UHFFFAOYSA-N 1 0 394.479 2.517 20 0 GFADRO CCC(CC)C[N@H+](CC)CC(=O)Nc1c(-c2nn[nH]n2)cnn1-c1ccccc1 ZINC000736338465 598945853 /nfs/dbraw/zinc/94/58/53/598945853.db2.gz VTBIHVGOTPWWDC-UHFFFAOYSA-N 1 0 396.499 2.749 20 0 GFADRO Cc1ccccc1C[C@@H]1CCC[N@@H+]1C[C@@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000737428240 598947848 /nfs/dbraw/zinc/94/78/48/598947848.db2.gz VIHVOJRSTPYIGZ-VQTJNVASSA-N 1 0 393.491 2.622 20 0 GFADRO c1ccc(C[N@@H+]2CCC[C@@H](Nc3c4ccccc4nnc3-c3nn[nH]n3)C2)cc1 ZINC000738433206 598959595 /nfs/dbraw/zinc/95/95/95/598959595.db2.gz RPYSEHCOJMKKHT-MRXNPFEDSA-N 1 0 386.463 2.886 20 0 GFADRO COc1cc(-c2nn[nH]n2)ccc1OCC[N@H+](C)CCOc1cccc(C)c1 ZINC000737030890 598980240 /nfs/dbraw/zinc/98/02/40/598980240.db2.gz BHMCLBMWKKLOPM-UHFFFAOYSA-N 1 0 383.452 2.573 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)c1ccc(-c2nn[nH]n2)nc1 ZINC000736268904 598991835 /nfs/dbraw/zinc/99/18/35/598991835.db2.gz VLFZGOXSBRXPAH-OAHLLOKOSA-N 1 0 391.479 2.566 20 0 GFADRO O=C(OCc1cc(-c2nn[nH]n2)ccc1F)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000738236899 599057502 /nfs/dbraw/zinc/05/75/02/599057502.db2.gz ULFDVSMSTFMQLW-KRWDZBQOSA-N 1 0 395.438 2.961 20 0 GFADRO C[C@@H]1CCC[C@@H](C(=O)N2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC000736244915 599097233 /nfs/dbraw/zinc/09/72/33/599097233.db2.gz PLDNNJBDTGQKAG-VQIMIIECSA-N 1 0 382.512 2.727 20 0 GFADRO CC(C)[C@@H]([NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1ccccc1Cl ZINC000735733272 599101513 /nfs/dbraw/zinc/10/15/13/599101513.db2.gz GXRKJBCRZOAOCM-BLLLJJGKSA-N 1 0 386.891 2.745 20 0 GFADRO COc1cc(-c2nn[nH]n2)ccc1OCC[N@@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC000737033325 599136340 /nfs/dbraw/zinc/13/63/40/599136340.db2.gz UGMISIUWWYIFQO-KRWDZBQOSA-N 1 0 379.464 2.819 20 0 GFADRO C[C@H](c1ccc(-c2nn[nH]n2)cc1)[NH+]1CCN(c2ncnc3ccsc32)CC1 ZINC000736197885 599137829 /nfs/dbraw/zinc/13/78/29/599137829.db2.gz CPWGMASYZCPVIO-CYBMUJFWSA-N 1 0 392.492 2.755 20 0 GFADRO O=C1[C@@H]([N@@H+]2CC[C@@H](Cc3ccccc3)C2)CCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000738290526 599139774 /nfs/dbraw/zinc/13/97/74/599139774.db2.gz PNACPVQOUWIYFX-PXNSSMCTSA-N 1 0 388.475 2.537 20 0 GFADRO C[C@@H]1C[N@H+](CC(=O)NCc2ccc(-c3nn[nH]n3)cc2)CC[C@H]1c1ccccc1 ZINC000736284550 599143980 /nfs/dbraw/zinc/14/39/80/599143980.db2.gz AVVJNEZCPURSNF-OXQOHEQNSA-N 1 0 390.491 2.609 20 0 GFADRO O=C(NCc1cc(-c2nn[nH]n2)ccc1F)C1CC[NH+](Cc2ccccc2)CC1 ZINC000823233671 599184267 /nfs/dbraw/zinc/18/42/67/599184267.db2.gz HMDAWBGZXNZGDD-UHFFFAOYSA-N 1 0 394.454 2.534 20 0 GFADRO C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)CCc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000821614338 599193275 /nfs/dbraw/zinc/19/32/75/599193275.db2.gz BAURIPADKRSYEJ-FQEVSTJZSA-N 1 0 390.491 2.532 20 0 GFADRO Cc1cc(F)ccc1N1CCC[C@@H]([N@H+](C)Cc2cccc(-c3nn[nH]n3)c2)C1=O ZINC000737271500 599234447 /nfs/dbraw/zinc/23/44/47/599234447.db2.gz WEYAOUTVDQYRBV-LJQANCHMSA-N 1 0 394.454 2.942 20 0 GFADRO O=C(Nc1ccc(-c2nn[nH]n2)c(C(F)(F)F)c1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000823303665 599290007 /nfs/dbraw/zinc/29/00/07/599290007.db2.gz QFQYUAMGSCOGMV-LBPRGKRZSA-N 1 0 395.389 2.588 20 0 GFADRO C[C@H](C(=O)N1CCCCCC1)[NH+]1CCC(Oc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000735522221 598248292 /nfs/dbraw/zinc/24/82/92/598248292.db2.gz ZJYPIFCAHMNLNZ-MRXNPFEDSA-N 1 0 398.511 2.501 20 0 GFADRO O[C@H](C[NH2+][C@H](c1ccccc1)C1CCC1)COc1ccc(-c2nn[nH]n2)cc1 ZINC000738382992 598248334 /nfs/dbraw/zinc/24/83/34/598248334.db2.gz UONFPFGGXSYXHG-UYAOXDASSA-N 1 0 379.464 2.737 20 0 GFADRO Cc1oc(NC(=O)C[N@@H+]2CC[C@H](c3ccccc3C)C2)c(-c2nn[nH]n2)c1C ZINC000737420232 598255040 /nfs/dbraw/zinc/25/50/40/598255040.db2.gz DNRQYIZRYLTBND-HNNXBMFYSA-N 1 0 380.452 2.813 20 0 GFADRO Cc1ccccc1[C@H]1CC[N@@H+]([C@H](C)C(=O)Nc2cccc(-c3nn[nH]n3)c2)C1 ZINC000737420721 598255203 /nfs/dbraw/zinc/25/52/03/598255203.db2.gz GZSVZQVZQQEUSX-WBVHZDCISA-N 1 0 376.464 2.992 20 0 GFADRO C[NH+](C)CCCCC(=O)Nc1ccc(Oc2ccc(-c3nn[nH]n3)cc2)nc1 ZINC000736759565 598260282 /nfs/dbraw/zinc/26/02/82/598260282.db2.gz UMRAJOQLASCRLD-UHFFFAOYSA-N 1 0 381.440 2.724 20 0 GFADRO C[C@@H]([NH2+]Cc1cccc(-c2nn[nH]n2)c1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000736133221 598274683 /nfs/dbraw/zinc/27/46/83/598274683.db2.gz GFFMIZBYCHOJFE-OAHLLOKOSA-N 1 0 391.479 2.584 20 0 GFADRO C[C@@H](CNC(=O)Nc1cc(-c2nn[nH]n2)cn1C(C)(C)C)[N@@H+]1CCCC[C@H]1C ZINC000736269920 598277941 /nfs/dbraw/zinc/27/79/41/598277941.db2.gz ZESCDUWNWZFOTA-KGLIPLIRSA-N 1 0 388.520 2.808 20 0 GFADRO O=C(CC[N@@H+]1CCCO[C@H](c2ccccc2)C1)Nc1ccccc1-c1nn[nH]n1 ZINC000737842981 598312067 /nfs/dbraw/zinc/31/20/67/598312067.db2.gz GLWSLQIOGKYZDK-IBGZPJMESA-N 1 0 392.463 2.659 20 0 GFADRO CC(C)C[NH+]1CCC(NC(=S)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)CC1 ZINC000735835516 598318296 /nfs/dbraw/zinc/31/82/96/598318296.db2.gz JJUKIQKZCJJEKL-UHFFFAOYSA-N 1 0 393.948 2.927 20 0 GFADRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNc3nccnc3-c3nn[nH]n3)cc2)C1 ZINC000736229027 598343604 /nfs/dbraw/zinc/34/36/04/598343604.db2.gz PSZJFUITGMHZOJ-HUUCEWRRSA-N 1 0 378.484 2.747 20 0 GFADRO Cc1nn(C)c(Cl)c1[C@H]1CCC[N@@H+]1CCOc1cccc(-c2nn[nH]n2)c1 ZINC000737511784 598368746 /nfs/dbraw/zinc/36/87/46/598368746.db2.gz ORRQHBYTIBLSIN-OAHLLOKOSA-N 1 0 387.875 2.778 20 0 GFADRO CCCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=S)NCC(C)(C)C[NH+](C)C ZINC000736480150 598416717 /nfs/dbraw/zinc/41/67/17/598416717.db2.gz LAWZZDZGRUGFKD-UHFFFAOYSA-N 1 0 389.573 2.541 20 0 GFADRO Cc1cc(N2CC[C@H]([NH+]3CCCC3)C2)n2c3ccccc3nc2c1-c1nn[nH]n1 ZINC000737270992 598420710 /nfs/dbraw/zinc/42/07/10/598420710.db2.gz QAHRODQUNWKOQS-HNNXBMFYSA-N 1 0 388.479 2.651 20 0 GFADRO CCC[C@H]([NH2+]Cc1cccc(-c2nn[nH]n2)c1)C(=O)N1CCc2sccc2C1 ZINC000736435969 598423318 /nfs/dbraw/zinc/42/33/18/598423318.db2.gz WTJALGKEKHSGSW-KRWDZBQOSA-N 1 0 396.520 2.771 20 0 GFADRO COc1ccc([C@H](C)[NH2+]CCC(=O)Nc2sccc2-c2nn[nH]n2)cc1F ZINC000737073473 598453752 /nfs/dbraw/zinc/45/37/52/598453752.db2.gz RRJJXPNUWFIFAO-JTQLQIEISA-N 1 0 390.444 2.755 20 0 GFADRO C[C@@H](CNC(=O)N(Cc1ccc(-c2nn[nH]n2)cc1)C1CC1)C[NH+]1CCCCC1 ZINC000736016650 598477906 /nfs/dbraw/zinc/47/79/06/598477906.db2.gz BTGVSIJYEOECPF-INIZCTEOSA-N 1 0 397.527 2.663 20 0 GFADRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)N(Cc1ccc(-c2nn[nH]n2)cc1)C1CC1 ZINC000736252155 598483062 /nfs/dbraw/zinc/48/30/62/598483062.db2.gz PRFTVMVBMIHCOD-HZPDHXFCSA-N 1 0 397.527 2.804 20 0 GFADRO Cc1cc2c(o1)CC(C)(C)C[C@H]2[NH2+]Cc1cnc2c(-c3nn[nH]n3)cnn2c1 ZINC000737285239 598493633 /nfs/dbraw/zinc/49/36/33/598493633.db2.gz PRHFQOPCUKAQTB-OAHLLOKOSA-N 1 0 378.440 2.614 20 0 GFADRO Clc1ccc(NCC2([NH+]3CCOCC3)CCCCC2)c(-c2nn[nH]n2)c1 ZINC000737574023 598506941 /nfs/dbraw/zinc/50/69/41/598506941.db2.gz JNUXTYMQUVHEJL-UHFFFAOYSA-N 1 0 376.892 2.967 20 0 GFADRO CCCO[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2oc(C)c(C)c2-c2nn[nH]n2)CC1 ZINC000736489114 598507406 /nfs/dbraw/zinc/50/74/06/598507406.db2.gz UZIMMZWCMMJRED-DZGCQCFKSA-N 1 0 390.488 2.685 20 0 GFADRO Cc1cc(N2CCC[N@@H+](C(C)C)CC2)n2c3ccccc3nc2c1-c1nn[nH]n1 ZINC000737270186 598523549 /nfs/dbraw/zinc/52/35/49/598523549.db2.gz BVCGMXCMYNXWQE-UHFFFAOYSA-N 1 0 390.495 2.897 20 0 GFADRO c1ccc(CC2CC[NH+](CCCCNc3nccnc3-c3nn[nH]n3)CC2)cc1 ZINC000738427438 598593140 /nfs/dbraw/zinc/59/31/40/598593140.db2.gz HZOKGYSEILWIIS-UHFFFAOYSA-N 1 0 392.511 2.804 20 0 GFADRO C[N@H+](CCCNC(=O)CSc1ccc(-c2nn[nH]n2)cc1)C1CCCCC1 ZINC000736799415 598664527 /nfs/dbraw/zinc/66/45/27/598664527.db2.gz DFVAHDDEABAUNX-UHFFFAOYSA-N 1 0 388.541 2.730 20 0 GFADRO C[C@@H](CNC(=O)c1cccc(Oc2ccc(-c3nn[nH]n3)cc2)c1)[NH+]1CCCC1 ZINC000736025624 598698476 /nfs/dbraw/zinc/69/84/76/598698476.db2.gz HNTPJSNNMIIDRX-HNNXBMFYSA-N 1 0 392.463 2.873 20 0 GFADRO O=C(c1cccc(Oc2ccc(-c3nn[nH]n3)cc2)c1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000738275005 598701197 /nfs/dbraw/zinc/70/11/97/598701197.db2.gz ZOKTVEDEJPZARY-QGZVFWFLSA-N 1 0 390.447 2.579 20 0 GFADRO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1Cc1cn2ccccc2c1-c1nn[nH]n1 ZINC000737194461 598707865 /nfs/dbraw/zinc/70/78/65/598707865.db2.gz KPMGXWPUSHIVLT-QGZVFWFLSA-N 1 0 387.491 2.826 20 0 GFADRO O[C@H](COc1ccc(-c2nn[nH]n2)cc1)C[N@@H+]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000738383435 598708510 /nfs/dbraw/zinc/70/85/10/598708510.db2.gz BLUZOEOLWWCVCF-WMZOPIPTSA-N 1 0 399.882 2.749 20 0 GFADRO C[NH+](C)CCCOc1cccc(NC(=O)Nc2cccc(-c3nn[nH]n3)c2)c1 ZINC000736768248 598715939 /nfs/dbraw/zinc/71/59/39/598715939.db2.gz ZGROSKKBMLDUQE-UHFFFAOYSA-N 1 0 381.440 2.841 20 0 GFADRO c1cc(OCCN2CCC[C@@H](C[NH+]3CCCCCC3)C2)cc(-c2nn[nH]n2)c1 ZINC000738418991 598717658 /nfs/dbraw/zinc/71/76/58/598717658.db2.gz LDYRGZWXXLZUDJ-SFHVURJKSA-N 1 0 384.528 2.834 20 0 GFADRO CC(C)([NH2+]CC(=O)NCc1cccc(-c2nn[nH]n2)c1)c1ccc(Cl)cc1 ZINC000735678863 598763031 /nfs/dbraw/zinc/76/30/31/598763031.db2.gz YCHDXCIBLLJVPZ-UHFFFAOYSA-N 1 0 384.871 2.661 20 0 GFADRO C[C@@H]1c2ccccc2OCC[N@H+]1CCC(=O)Nc1ccccc1-c1nn[nH]n1 ZINC000736303503 598763301 /nfs/dbraw/zinc/76/33/01/598763301.db2.gz KOFPBLXGVRMEGC-CQSZACIVSA-N 1 0 378.436 2.651 20 0 GFADRO CC(C)[C@H](c1ccccc1)[N@H+](C)CC(=O)NCc1cccc(-c2nn[nH]n2)c1 ZINC000735734649 598796259 /nfs/dbraw/zinc/79/62/59/598796259.db2.gz ITLBTXRNADQGSG-HXUWFJFHSA-N 1 0 378.480 2.812 20 0 GFADRO Cc1cc(N(C)[C@@H]2CC[N@@H+](C3CC3)C2)n2c3ccccc3nc2c1-c1nn[nH]n1 ZINC000737271107 598816363 /nfs/dbraw/zinc/81/63/63/598816363.db2.gz RNMYZACRYQXITQ-OAHLLOKOSA-N 1 0 388.479 2.649 20 0 GFADRO C[C@H](c1ccc(-c2nn[nH]n2)cc1)[NH+]1CCN(CCOc2ccccc2)CC1 ZINC000736197207 599307617 /nfs/dbraw/zinc/30/76/17/599307617.db2.gz LUBBDIBXHHNSNP-QGZVFWFLSA-N 1 0 378.480 2.624 20 0 GFADRO C[C@H](c1ccc(-c2nn[nH]n2)cc1)[NH+]1CCC(NC(=O)c2ccc(F)cc2)CC1 ZINC000736198260 599309101 /nfs/dbraw/zinc/30/91/01/599309101.db2.gz RRXXELDTPWTZMB-CQSZACIVSA-N 1 0 394.454 2.961 20 0 GFADRO Cc1cccc(NC(=O)[C@H]2CCC[N@@H+]([C@@H](C)c3ccc(-c4nn[nH]n4)cc3)C2)n1 ZINC000737401448 599310875 /nfs/dbraw/zinc/31/08/75/599310875.db2.gz YDHOUEOHYUIUJW-YJBOKZPZSA-N 1 0 391.479 2.982 20 0 GFADRO CC(C)[C@H](CO)[N@H+](CCOc1ccc(-c2nn[nH]n2)cc1)Cc1ccccc1 ZINC000735710195 599355160 /nfs/dbraw/zinc/35/51/60/599355160.db2.gz NCWRZILAIYOKJV-FQEVSTJZSA-N 1 0 381.480 2.765 20 0 GFADRO CC(C)n1cnnc1[C@@H]1CCC[N@H+](Cc2cn3ccccc3c2-c2nn[nH]n2)C1 ZINC000735966833 599357191 /nfs/dbraw/zinc/35/71/91/599357191.db2.gz XITWWQXVRBYEIJ-OAHLLOKOSA-N 1 0 391.483 2.671 20 0 GFADRO O=C(OCc1ccc(-c2nn[nH]n2)cc1F)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000738232475 599367564 /nfs/dbraw/zinc/36/75/64/599367564.db2.gz RHCXLWBZNKDSAP-KRWDZBQOSA-N 1 0 395.438 2.961 20 0 GFADRO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2cccc(-c3nn[nH]n3)c2)c(OC)c1 ZINC000821831585 599391666 /nfs/dbraw/zinc/39/16/66/599391666.db2.gz DZGXUFOKTWMGIB-CHWSQXEVSA-N 1 0 396.451 2.562 20 0 GFADRO Brc1ccc2ncc(C[NH2+]Cc3cccc(-c4nn[nH]n4)c3)n2c1 ZINC000819689067 599402711 /nfs/dbraw/zinc/40/27/11/599402711.db2.gz TYIBTLBJQAPPBQ-UHFFFAOYSA-N 1 0 384.241 2.567 20 0 GFADRO C[C@@H](NC(=O)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1)c1cccc(-c2nn[nH]n2)c1 ZINC000820650169 599422564 /nfs/dbraw/zinc/42/25/64/599422564.db2.gz RHMSMBRHBWYNMN-OWCLPIDISA-N 1 0 399.543 2.983 20 0 GFADRO C[C@@H](NC(=O)NC[C@H](C1CCCCC1)[NH+](C)C)c1cccc(-c2nn[nH]n2)c1 ZINC000820359636 599442571 /nfs/dbraw/zinc/44/25/71/599442571.db2.gz UGZCFGWUSIUGPX-RDTXWAMCSA-N 1 0 385.516 2.737 20 0 GFADRO COc1ccc([C@@H](C)CC[NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)cc1 ZINC000821777748 599448378 /nfs/dbraw/zinc/44/83/78/599448378.db2.gz MEVDWWLEADJBNO-AWEZNQCLSA-N 1 0 377.452 2.806 20 0 GFADRO Cc1nn(-c2ccccc2)cc1C[NH2+]CCOc1ccc(-c2nn[nH]n2)cc1 ZINC000822486399 599450960 /nfs/dbraw/zinc/45/09/60/599450960.db2.gz INSIWQWWGZSULU-UHFFFAOYSA-N 1 0 375.436 2.529 20 0 GFADRO CC[C@H](C)C[C@H](C)NC(=O)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000820870517 599455705 /nfs/dbraw/zinc/45/57/05/599455705.db2.gz UGYFMPGTAITWIN-IRXDYDNUSA-N 1 0 399.543 2.909 20 0 GFADRO c1csc([C@@H](C[NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)N2CCCC2)c1 ZINC000738451738 599484095 /nfs/dbraw/zinc/48/40/95/599484095.db2.gz JONDQWYXGLEQEE-MRXNPFEDSA-N 1 0 394.508 2.503 20 0 GFADRO c1ccc(C[NH+]2CCC(Nc3cc(-c4nn[nH]n4)nc4ccccc43)CC2)nc1 ZINC000823779376 599484476 /nfs/dbraw/zinc/48/44/76/599484476.db2.gz BMEYOTKIHCDBIY-UHFFFAOYSA-N 1 0 386.463 2.886 20 0 GFADRO COc1ccccc1C(C)(C)C[NH2+]Cc1cnc2ccc(-c3nn[nH]n3)cn12 ZINC000737137427 599486810 /nfs/dbraw/zinc/48/68/10/599486810.db2.gz HVLCKTKAYBIYEI-UHFFFAOYSA-N 1 0 377.452 2.590 20 0 GFADRO C[C@@H]1CN(c2ccc(-c3nn[nH]n3)c(Cl)c2)CC[N@@H+]1C[C@H](O)c1ccccc1 ZINC000820768770 599530783 /nfs/dbraw/zinc/53/07/83/599530783.db2.gz PNLRDDDXJMEUMF-KUHUBIRLSA-N 1 0 398.898 2.764 20 0 GFADRO C[N@H+](CCCc1ccccc1)Cc1nnc(-c2ccc(-c3nn[nH]n3)cc2)o1 ZINC000821600316 599561812 /nfs/dbraw/zinc/56/18/12/599561812.db2.gz HQTMZXBUVLUBDZ-UHFFFAOYSA-N 1 0 375.436 2.981 20 0 GFADRO C[C@@H](CNC(=O)c1cccc(Nc2ccc(-c3nn[nH]n3)cc2)c1)[N@H+](C)C1CC1 ZINC000736025263 599566133 /nfs/dbraw/zinc/56/61/33/599566133.db2.gz DDBPLJZRNKLZOF-AWEZNQCLSA-N 1 0 391.479 2.823 20 0 GFADRO C[C@H](CNC(=O)c1cccc(Nc2ccc(-c3nn[nH]n3)cc2)c1)[NH+]1CCCC1 ZINC000736025973 599568873 /nfs/dbraw/zinc/56/88/73/599568873.db2.gz KTHMTIFESKLCOB-OAHLLOKOSA-N 1 0 391.479 2.824 20 0 GFADRO C[NH+](C)C1CCN(C(=O)c2cccc(Nc3ccc(-c4nn[nH]n4)cc3)c2)CC1 ZINC000736756730 599569668 /nfs/dbraw/zinc/56/96/68/599569668.db2.gz KPSBFIQXVFSTMK-UHFFFAOYSA-N 1 0 391.479 2.777 20 0 GFADRO C[C@H]1CCN(CCOc2cccc(-c3nn[nH]n3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000820722136 599591458 /nfs/dbraw/zinc/59/14/58/599591458.db2.gz FZKBXJQAAPUESS-SFHVURJKSA-N 1 0 392.507 2.842 20 0 GFADRO C[C@@H](NC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1)c1cccc(-c2nn[nH]n2)c1 ZINC000820353330 599680982 /nfs/dbraw/zinc/68/09/82/599680982.db2.gz YGNKILLBGMWYRC-QAPCUYQASA-N 1 0 383.500 2.588 20 0 GFADRO CC[C@H](C)[N@H+](C)CC(=O)Nc1c(-c2nn[nH]n2)c(C)c(C)n1-c1ccccc1 ZINC000820876136 599690605 /nfs/dbraw/zinc/69/06/05/599690605.db2.gz MKDWYFAYSPROBL-ZDUSSCGKSA-N 1 0 381.484 2.943 20 0 GFADRO CC[N@@H+](CC(=O)Nc1c(-c2nn[nH]n2)c(C)c(C)n1-c1ccccc1)CC1CC1 ZINC000821165077 599690761 /nfs/dbraw/zinc/69/07/61/599690761.db2.gz OSSLFMBMOKSOEV-UHFFFAOYSA-N 1 0 393.495 2.945 20 0 GFADRO CC(C)Oc1ccc(NC(=O)NC[C@H]2CC[N@@H+](C(C)C)C2)cc1-c1nn[nH]n1 ZINC000820169983 607429660 /nfs/dbraw/zinc/42/96/60/607429660.db2.gz NLLMBIJCDJEIHK-CQSZACIVSA-N 1 0 387.488 2.506 20 0 GFADRO CC[N@H+](CCNC(=O)Nc1ccc(OC(C)C)c(-c2nn[nH]n2)c1)C(C)C ZINC000821215908 607431446 /nfs/dbraw/zinc/43/14/46/607431446.db2.gz XLRRTZFAZZVQDV-UHFFFAOYSA-N 1 0 375.477 2.506 20 0 GFADRO c1ccc2c(c1)nc(N1CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C1)cc2-c1nn[nH]n1 ZINC000823791478 607472307 /nfs/dbraw/zinc/47/23/07/607472307.db2.gz DBXYTTQPOSKKQV-IFXJQAMLSA-N 1 0 375.480 2.868 20 0 GFADRO COc1ccc(-c2nn[nH]n2)cc1C[NH+]1CCC([C@@H](O)c2ccccc2)CC1 ZINC000826182117 607513841 /nfs/dbraw/zinc/51/38/41/607513841.db2.gz AJLRPLFWYFTMHQ-FQEVSTJZSA-N 1 0 379.464 2.821 20 0 GFADRO COc1ccc(-c2nn[nH]n2)cc1C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000826183275 607526730 /nfs/dbraw/zinc/52/67/30/607526730.db2.gz JYRJSDLQUMLKGM-MRXNPFEDSA-N 1 0 379.420 2.941 20 0 GFADRO COc1ccc(-c2nn[nH]n2)cc1C[N@@H+]1CCCC[C@H]1Cn1nc(C)cc1C ZINC000826183780 607527871 /nfs/dbraw/zinc/52/78/71/607527871.db2.gz ZPLKOQCVTPAIPB-SFHVURJKSA-N 1 0 381.484 2.743 20 0 GFADRO C[N@H+](CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1)C[C@@H]1CCCN(C(=O)[O-])C1 ZINC000739664116 602707134 /nfs/dbraw/zinc/70/71/34/602707134.db2.gz HPGUKGVITDHFRO-PZJWPPBQSA-N 1 0 389.540 2.754 20 0 GFADRO C[C@@H]([NH2+]C[C@@H]1CCCN(C(=O)[O-])C1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000739034380 603273936 /nfs/dbraw/zinc/27/39/36/603273936.db2.gz MFVAJVTZRNLBQV-CVEARBPZSA-N 1 0 378.492 2.618 20 0 GFADRO COc1ccc(-c2nn[nH]n2)cc1C[NH+]1CCC(NC(=O)C2CCCCC2)CC1 ZINC000826182636 607642695 /nfs/dbraw/zinc/64/26/95/607642695.db2.gz PQKZXNIQNVCFBU-UHFFFAOYSA-N 1 0 398.511 2.536 20 0 GFADRO O=C([O-])NC[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000834222622 605698524 /nfs/dbraw/zinc/69/85/24/605698524.db2.gz ONCAQUYCZGESPR-AZUAARDMSA-N 1 0 375.513 2.559 20 0 GFADRO Cc1cccc(C[N@H+](C)CCC(=O)Nc2sc3c(c2-c2nn[nH]n2)CCC3)n1 ZINC000822303796 606083326 /nfs/dbraw/zinc/08/33/26/606083326.db2.gz JMWIRBGRSWUESJ-UHFFFAOYSA-N 1 0 397.508 2.581 20 0 GFADRO C[C@H]1[C@H](Cc2ccccc2)CC[N@@H+]1CC(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000820643243 606112239 /nfs/dbraw/zinc/11/22/39/606112239.db2.gz SLUCXBUKNWNJNM-RDJZCZTQSA-N 1 0 376.464 2.758 20 0 GFADRO C[C@@H]1[C@@H](Cc2ccccc2)CC[N@@H+]1CC(=O)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000820643769 606112785 /nfs/dbraw/zinc/11/27/85/606112785.db2.gz ZGGSWFFQJSSXQQ-CRAIPNDOSA-N 1 0 376.464 2.758 20 0 GFADRO CC(C)(C)[C@H]1CCCC[C@@H]1[NH2+]CCS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000819907290 606186677 /nfs/dbraw/zinc/18/66/77/606186677.db2.gz MUNYULCSRMXFIO-IRXDYDNUSA-N 1 0 391.541 2.835 20 0 GFADRO CC(C)CC[N@H+](CCS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)C1CCCC1 ZINC000820076114 606187341 /nfs/dbraw/zinc/18/73/41/606187341.db2.gz BBIGNPOAGDBAPP-UHFFFAOYSA-N 1 0 391.541 2.931 20 0 GFADRO CC[C@H](C)[C@H](C)[N@H+](CCS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)C1CC1 ZINC000820859464 606187434 /nfs/dbraw/zinc/18/74/34/606187434.db2.gz DXSQYUHQYRXNIP-KBPBESRZSA-N 1 0 377.514 2.539 20 0 GFADRO O=S(=O)(CC[NH2+][C@@H](c1ccccc1)C1CCC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823562883 606188634 /nfs/dbraw/zinc/18/86/34/606188634.db2.gz WHLIWAPKPOXMAN-IBGZPJMESA-N 1 0 397.504 2.771 20 0 GFADRO CC(C)CC[NH+]1CCC(CNC(=O)N(C)Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000820076528 606197652 /nfs/dbraw/zinc/19/76/52/606197652.db2.gz KXZIZRPLDBXSHQ-UHFFFAOYSA-N 1 0 399.543 2.766 20 0 GFADRO CC[NH+](CC)CCN(Cc1cccs1)C(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821189134 606198258 /nfs/dbraw/zinc/19/82/58/606198258.db2.gz IDOBWRQITKKSBH-UHFFFAOYSA-N 1 0 384.509 2.912 20 0 GFADRO COc1cc([C@H](C)[NH2+]Cc2cc(-c3nn[nH]n3)cs2)cc(OC)c1OC ZINC000821707668 606211885 /nfs/dbraw/zinc/21/18/85/606211885.db2.gz BXOVGKJKBLVTJE-JTQLQIEISA-N 1 0 375.454 2.805 20 0 GFADRO CC(C)(C)OC(=O)N1CCC(C[NH2+]Cc2cc(-c3nn[nH]n3)cs2)CC1 ZINC000819933526 606215319 /nfs/dbraw/zinc/21/53/19/606215319.db2.gz VAFVXMJGVZOJQV-UHFFFAOYSA-N 1 0 378.502 2.665 20 0 GFADRO C[C@H]([NH2+]C1(CNc2cccc(-c3nn[nH]n3)n2)CCOCC1)c1ccccc1 ZINC000820412209 606219601 /nfs/dbraw/zinc/21/96/01/606219601.db2.gz KWJPBTFNHPFWCS-HNNXBMFYSA-N 1 0 379.468 2.574 20 0 GFADRO CC(C)C[C@H](CNC(=O)c1cc(-c2nn[nH]n2)cn1C)[NH2+][C@@H](C)c1ccccc1 ZINC000820055941 606291271 /nfs/dbraw/zinc/29/12/71/606291271.db2.gz LZIBIMVRGHRTLM-MAUKXSAKSA-N 1 0 395.511 2.701 20 0 GFADRO CCC[C@H]([NH2+]CCS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)c1ccccc1 ZINC000821021921 606307532 /nfs/dbraw/zinc/30/75/32/606307532.db2.gz PXKCFGAELBGVQZ-SFHVURJKSA-N 1 0 385.493 2.771 20 0 GFADRO C[C@@H]1[C@@H](c2ccccc2)CC[N@@H+]1[C@@H]1CCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000820643569 606337434 /nfs/dbraw/zinc/33/74/34/606337434.db2.gz XCQXTHXRKYLBLE-UIAACRFSSA-N 1 0 388.475 2.850 20 0 GFADRO C[C@@H](NC(=O)NC1CC[NH+](C2CCCC2)CC1)c1cccc(-c2nn[nH]n2)c1 ZINC000820358588 606383046 /nfs/dbraw/zinc/38/30/46/606383046.db2.gz NZCKGZXZDNFZMS-CQSZACIVSA-N 1 0 383.500 2.634 20 0 GFADRO CC1CC[NH+](C[C@H]2CCCN(c3ccc(Cl)c(-c4nn[nH]n4)n3)C2)CC1 ZINC000820722103 606462239 /nfs/dbraw/zinc/46/22/39/606462239.db2.gz FVPWKRKXNSDITK-CQSZACIVSA-N 1 0 375.908 2.863 20 0 GFADRO FC(F)Oc1cc(-c2nn[nH]n2)ccc1C[N@@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000822731265 606484504 /nfs/dbraw/zinc/48/45/04/606484504.db2.gz BFKYFIKGQIVKPZ-GFCCVEGCSA-N 1 0 375.383 2.571 20 0 GFADRO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@@H]1N2C(=O)c1cc(-c2nn[nH]n2)cs1 ZINC000822274705 606487858 /nfs/dbraw/zinc/48/78/58/606487858.db2.gz GNCDXJDQXHBRLM-ZBFHGGJFSA-N 1 0 380.477 2.685 20 0 GFADRO C[C@@H](O)C[N@H+](Cc1ccccc1)Cc1ccc(-c2nn[nH]n2)cc1OC(F)F ZINC000820479797 606500311 /nfs/dbraw/zinc/50/03/11/606500311.db2.gz CEEYKTGANYXBOY-CYBMUJFWSA-N 1 0 389.406 2.851 20 0 GFADRO CN(CC[C@H]1CCCC[N@@H+]1C)Cc1ccc(-c2nn[nH]n2)cc1OC(F)F ZINC000821599407 606502666 /nfs/dbraw/zinc/50/26/66/606502666.db2.gz RZNWQKFOWWVMGL-OAHLLOKOSA-N 1 0 380.443 2.774 20 0 GFADRO CC[NH+](CC)CCN(Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)o1)CC(C)C ZINC000821189422 606515717 /nfs/dbraw/zinc/51/57/17/606515717.db2.gz LRICVVXUCDXPLG-UHFFFAOYSA-N 1 0 398.515 2.717 20 0 GFADRO COc1cc(C[N@H+]2CC[C@@H](OC)C2)ccc1OCc1cccc(-c2nn[nH]n2)c1 ZINC000821717248 606517726 /nfs/dbraw/zinc/51/77/26/606517726.db2.gz MSXYUIHHSFURBI-GOSISDBHSA-N 1 0 395.463 2.675 20 0 GFADRO Cc1cc(NC(=O)c2cc(-c3nn[nH]n3)cs2)ccc1OCC[NH+]1CCCC1 ZINC000822208135 606543001 /nfs/dbraw/zinc/54/30/01/606543001.db2.gz CMBJCNZOPNAFKM-UHFFFAOYSA-N 1 0 398.492 2.964 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)c2cc(-c3nn[nH]n3)cs2)CC[N@@H+]1Cc1ccccc1 ZINC000820655223 606543982 /nfs/dbraw/zinc/54/39/82/606543982.db2.gz ACVHIQUKWIBFEB-CJNGLKHVSA-N 1 0 382.493 2.711 20 0 GFADRO O=C(Cc1cccc(-c2nn[nH]n2)c1)N[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000823092199 606547969 /nfs/dbraw/zinc/54/79/69/606547969.db2.gz DCMNHFXCXWKFJL-FQEVSTJZSA-N 1 0 390.491 2.753 20 0 GFADRO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)Cc1cccc(-c2nn[nH]n2)c1 ZINC000821189834 606550954 /nfs/dbraw/zinc/55/09/54/606550954.db2.gz VMPLIPQLGQHWPO-UHFFFAOYSA-N 1 0 398.433 2.532 20 0 GFADRO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)c1sccc1-c1nn[nH]n1 ZINC000821189609 606551253 /nfs/dbraw/zinc/55/12/53/606551253.db2.gz QFKVAWLLLUJGMF-UHFFFAOYSA-N 1 0 390.435 2.665 20 0 GFADRO O=C(NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccc(-c2nn[nH]n2)s1 ZINC000823146139 606559022 /nfs/dbraw/zinc/55/90/22/606559022.db2.gz UNMOZVHOBNGUKU-MQVJKMGUSA-N 1 0 394.504 2.854 20 0 GFADRO O=C(Cc1cccc(-c2nn[nH]n2)c1)N(CC[NH+]1CCCC1)c1ccccc1 ZINC000823087274 606569778 /nfs/dbraw/zinc/56/97/78/606569778.db2.gz MTNVQGOZBIHQMU-UHFFFAOYSA-N 1 0 376.464 2.538 20 0 GFADRO Cc1ccc(-c2nn[nH]n2)cc1NC(=O)N(CC[NH+](C)C)Cc1cccs1 ZINC000822217594 606574843 /nfs/dbraw/zinc/57/48/43/606574843.db2.gz IQFZSCCHSZJVKB-UHFFFAOYSA-N 1 0 385.497 2.832 20 0 GFADRO O=C(CC[N@H+]1CC[C@H](c2ccc(F)cc2)C1)Nc1ccccc1-c1nn[nH]n1 ZINC000822964181 606717142 /nfs/dbraw/zinc/71/71/42/606717142.db2.gz FQKYGSBYSWGRCT-HNNXBMFYSA-N 1 0 380.427 2.824 20 0 GFADRO O=C1[C@H]([N@@H+]2CC[C@@H](c3ccc(F)cc3)C2)CCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000823504056 606717278 /nfs/dbraw/zinc/71/72/78/606717278.db2.gz LIBYQEFPPDNNEN-VQIMIIECSA-N 1 0 392.438 2.601 20 0 GFADRO Brc1cccc(N2CC[C@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)c1 ZINC000819688987 606720526 /nfs/dbraw/zinc/72/05/26/606720526.db2.gz RXZNWTVZXMLTCW-INIZCTEOSA-N 1 0 399.296 2.998 20 0 GFADRO OCC[C@H]1CSCC[N@@H+]1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000823718036 606722691 /nfs/dbraw/zinc/72/26/91/606722691.db2.gz PMNUYPUOLAZEAR-KRWDZBQOSA-N 1 0 381.505 2.834 20 0 GFADRO CC(C)c1nnc(N2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)s1 ZINC000820206449 606756499 /nfs/dbraw/zinc/75/64/99/606756499.db2.gz LEUADYFUUOAFNW-UHFFFAOYSA-N 1 0 384.513 2.554 20 0 GFADRO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=S)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)C1 ZINC000820753135 606764708 /nfs/dbraw/zinc/76/47/08/606764708.db2.gz WSBVXEWHUNVDBN-IINYFYTJSA-N 1 0 379.921 2.535 20 0 GFADRO Cc1cc(-c2nn[nH]n2)ccc1Oc1ccc(C(=O)NC[C@@H]2CCC[N@H+]2C)cc1 ZINC000822143332 606793183 /nfs/dbraw/zinc/79/31/83/606793183.db2.gz BJDLBOBSTLJPAX-KRWDZBQOSA-N 1 0 392.463 2.791 20 0 GFADRO CC(C)(C)[N@H+](CC(=O)NCc1ccc(-c2nn[nH]n2)cc1)Cc1ccc(F)cc1 ZINC000819914460 606793916 /nfs/dbraw/zinc/79/39/16/606793916.db2.gz SIIPWHWGCXEHAE-UHFFFAOYSA-N 1 0 396.470 2.923 20 0 GFADRO Cc1ccc(C)c([C@H]2CCC[N@@H+]2CC(=O)NCc2cccc(-c3nn[nH]n3)c2)c1 ZINC000822230824 606795623 /nfs/dbraw/zinc/79/56/23/606795623.db2.gz RHYCBUSOLWLDTF-HXUWFJFHSA-N 1 0 390.491 2.937 20 0 GFADRO C[C@@H]([NH2+]C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1)c1cccc(OC(F)F)c1 ZINC000820419567 606853267 /nfs/dbraw/zinc/85/32/67/606853267.db2.gz IFBXIJJLSZCIHT-BDJLRTHQSA-N 1 0 375.379 2.852 20 0 GFADRO O[C@H](C[NH2+]Cc1csc(Br)c1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823690923 606855298 /nfs/dbraw/zinc/85/52/98/606855298.db2.gz YJQZKZVSVHTWNE-GFCCVEGCSA-N 1 0 380.271 2.514 20 0 GFADRO Cc1cc(N2CCC[C@@H]2C[NH+](C)C)n2c3ccccc3nc2c1-c1nn[nH]n1 ZINC000822206884 606858885 /nfs/dbraw/zinc/85/88/85/606858885.db2.gz BXHHECNMTOIGFE-CQSZACIVSA-N 1 0 376.468 2.506 20 0 GFADRO Cc1ccc(N2CC[N@H+](C[C@@H](O)c3ccc(-c4nn[nH]n4)cc3)[C@@H](C)C2)cc1C ZINC000822242680 606862863 /nfs/dbraw/zinc/86/28/63/606862863.db2.gz UKBCBJGZNLYEQI-LAUBAEHRSA-N 1 0 392.507 2.728 20 0 GFADRO COc1ccc([C@H]2CCC[N@@H+]2C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)cc1OC ZINC000821787775 606883937 /nfs/dbraw/zinc/88/39/37/606883937.db2.gz ZVYILOOFUZLYAS-MSOLQXFVSA-N 1 0 395.463 2.754 20 0 GFADRO C[C@H]1C[C@@H](NC(=O)Nc2ccc(F)c(-c3nn[nH]n3)c2)C[N@@H+]1Cc1ccccc1 ZINC000820656877 606907272 /nfs/dbraw/zinc/90/72/72/606907272.db2.gz HXXCSESCYJFIBM-XJKSGUPXSA-N 1 0 395.442 2.790 20 0 GFADRO c1ccc(C2([NH2+]CCCOc3cccc(-c4nn[nH]n4)c3)CCOCC2)cc1 ZINC000823771667 606927954 /nfs/dbraw/zinc/92/79/54/606927954.db2.gz BQDUSJXITZDROT-UHFFFAOYSA-N 1 0 379.464 2.931 20 0 GFADRO CCc1nnc(NC2CCC([NH+]3CCCCC3)CC2)c(-c2nn[nH]n2)c1CC ZINC000821527958 606942615 /nfs/dbraw/zinc/94/26/15/606942615.db2.gz ISIRXLOKCYFSDB-UHFFFAOYSA-N 1 0 384.532 2.991 20 0 GFADRO C[C@@H](CC(=O)Nc1cccnc1Cl)[NH2+][C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000820225788 607012162 /nfs/dbraw/zinc/01/21/62/607012162.db2.gz PJBZIUDZFCRHOB-RYUDHWBXSA-N 1 0 385.859 2.983 20 0 GFADRO COc1ccc([C@@H](C)[NH2+]C2CCN(c3ccc(-c4nn[nH]n4)cn3)CC2)cc1F ZINC000821778114 607046985 /nfs/dbraw/zinc/04/69/85/607046985.db2.gz UOLIOTNJBGBRPJ-CYBMUJFWSA-N 1 0 397.458 2.729 20 0 GFADRO COC(=O)[C@H](C)C[N@H+](Cc1ccccc1)Cc1cc(F)ccc1-c1nn[nH]n1 ZINC000821638583 607062562 /nfs/dbraw/zinc/06/25/62/607062562.db2.gz CFMROZZGOKMYFM-CQSZACIVSA-N 1 0 383.427 2.817 20 0 GFADRO C[C@@H](NC(=O)Nc1ccc(-c2nn[nH]n2)c(C(F)(F)F)c1)C(C)(C)C[NH+](C)C ZINC000820375211 607093267 /nfs/dbraw/zinc/09/32/67/607093267.db2.gz ZYOQSVXADSRQIS-SNVBAGLBSA-N 1 0 399.421 2.983 20 0 GFADRO C[NH+](C)CCN(Cc1ccc(-c2nn[nH]n2)cc1)c1ncnc2cccc(F)c21 ZINC000821586122 607114102 /nfs/dbraw/zinc/11/41/02/607114102.db2.gz KOKIDSLRWUKSTH-UHFFFAOYSA-N 1 0 392.442 2.517 20 0 GFADRO CC1(c2ccccc2)CCC([NH2+]C[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)CC1 ZINC000820633409 607151293 /nfs/dbraw/zinc/15/12/93/607151293.db2.gz BCNWKGDDJNNPFU-NNDYNSRJSA-N 1 0 392.511 2.595 20 0 GFADRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=S)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)C1 ZINC000821623501 607171331 /nfs/dbraw/zinc/17/13/31/607171331.db2.gz MDRSOQNPDDUPMA-ABAIWWIYSA-N 1 0 391.932 2.633 20 0 GFADRO O=C(CC[N@@H+]1CCC[C@@H](Nc2ccccc2)C1)Nc1cccc(-c2nn[nH]n2)c1 ZINC000822964415 607177875 /nfs/dbraw/zinc/17/78/75/607177875.db2.gz IHGQMXLVDMMDAN-LJQANCHMSA-N 1 0 391.479 2.772 20 0 GFADRO CCCC[NH+]1CCC(NC(=O)Nc2ccc(-c3nn[nH]n3)cc2Cl)CC1 ZINC000821065457 607196346 /nfs/dbraw/zinc/19/63/46/607196346.db2.gz JHHSUKWDHGQWOK-UHFFFAOYSA-N 1 0 377.880 2.906 20 0 GFADRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)Nc1ccc(-c2nn[nH]n2)cc1Cl ZINC000821599111 607199092 /nfs/dbraw/zinc/19/90/92/607199092.db2.gz GDVFQNYXYZZYPL-CYBMUJFWSA-N 1 0 377.880 2.858 20 0 GFADRO C[N@@H+]1CCC[C@H]1[C@@H]1CCCN1C(=O)Nc1ccc(-c2nn[nH]n2)cc1Cl ZINC000821623863 607201723 /nfs/dbraw/zinc/20/17/23/607201723.db2.gz UQFNLNXJJZOBBZ-GJZGRUSLSA-N 1 0 375.864 2.611 20 0 GFADRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)c1ncc(-c2nn[nH]n2)cc1Cl ZINC000820112246 607232374 /nfs/dbraw/zinc/23/23/74/607232374.db2.gz OMPVWVJRZFWRCK-UHFFFAOYSA-N 1 0 399.886 2.685 20 0 GFADRO CC(C)[N@H+](CCC(=O)Nc1ccccc1-c1nn[nH]n1)CCc1nccs1 ZINC000824289318 607831266 /nfs/dbraw/zinc/83/12/66/607831266.db2.gz ZDEAXCUATULRQX-UHFFFAOYSA-N 1 0 385.497 2.605 20 0 GFADRO COc1cc(-c2nn[nH]n2)ccc1OCC[N@H+](CCc1nccs1)C(C)C ZINC000826175468 607832042 /nfs/dbraw/zinc/83/20/42/607832042.db2.gz GLERZYNYPJWUAT-UHFFFAOYSA-N 1 0 388.497 2.664 20 0 GFADRO CC[C@@H]([NH2+]Cc1ccc(-c2nn[nH]n2)s1)[C@@H](c1ccc(C)cc1)n1cncn1 ZINC000825140642 607911531 /nfs/dbraw/zinc/91/15/31/607911531.db2.gz LLYIFQGLYMHFIK-SJLPKXTDSA-N 1 0 394.508 2.986 20 0 GFADRO C[NH+]1CCC([C@@H]2CCN(C(=O)Nc3ccc(-c4nn[nH]n4)c(Cl)c3)C2)CC1 ZINC000826021689 607916848 /nfs/dbraw/zinc/91/68/48/607916848.db2.gz DBWWBMCPLWSTLI-CYBMUJFWSA-N 1 0 389.891 2.716 20 0 GFADRO CC[C@@H]1C[N@H+](Cc2ccccc2-c2nn[nH]n2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000825212499 607942117 /nfs/dbraw/zinc/94/21/17/607942117.db2.gz RQAWTXOJGGBOAV-PBHICJAKSA-N 1 0 386.500 2.992 20 0 GFADRO CC[NH+](CC)Cc1ccc(C(=O)N2CCc3ccc(-c4nn[nH]n4)cc32)cc1 ZINC000825416561 607955045 /nfs/dbraw/zinc/95/50/45/607955045.db2.gz KKDJMPPVJNHQHP-UHFFFAOYSA-N 1 0 376.464 2.911 20 0 GFADRO COc1ccc(C[NH2+]Cc2ccccc2-c2cnn(C)c2)cc1-c1nn[nH]n1 ZINC000826203042 607977373 /nfs/dbraw/zinc/97/73/73/607977373.db2.gz XDCJYWMDAWLQOP-UHFFFAOYSA-N 1 0 375.436 2.566 20 0 GFADRO CCOC(=O)C(F)(F)[C@@H]1CC[C@H]([NH2+][C@@H](C)c2cccc(-c3nn[nH]n3)c2)C1 ZINC000825493915 608012297 /nfs/dbraw/zinc/01/22/97/608012297.db2.gz QLJWGMFIXJIERT-GLQYFDAESA-N 1 0 379.411 2.884 20 0 GFADRO COc1ccc([C@](C)(O)[C@@H]2CCC[N@@H+]2Cc2ccc(F)c(-c3nn[nH]n3)c2)cc1 ZINC000826187740 608064389 /nfs/dbraw/zinc/06/43/89/608064389.db2.gz DAULWRPESXREQB-FPOVZHCZSA-N 1 0 397.454 2.887 20 0 GFADRO COc1ccc(C[C@H](C)C[N@H+](C)C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000826191224 608065497 /nfs/dbraw/zinc/06/54/97/608065497.db2.gz AAPVTRCSIRKFOL-YWZLYKJASA-N 1 0 381.480 2.719 20 0 GFADRO COc1ccc(C[C@@H](C)C[N@H+](C)CC(=O)Nc2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000826191597 608066577 /nfs/dbraw/zinc/06/65/77/608066577.db2.gz KQXLDYVZQMYPHR-OAHLLOKOSA-N 1 0 394.479 2.624 20 0 GFADRO C[NH2+]C(C)(C)CNC(=O)Nc1ccc(Oc2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000826073251 608078672 /nfs/dbraw/zinc/07/86/72/608078672.db2.gz LMWYJCVFTWNNHV-UHFFFAOYSA-N 1 0 381.440 2.779 20 0 GFADRO Cc1cc(C)cc([C@@H]2CC[N@H+](C[C@H](O)COc3ccc(-c4nn[nH]n4)cc3)C2)c1 ZINC000826264446 608128490 /nfs/dbraw/zinc/12/84/90/608128490.db2.gz OSLQPCWVFNNUKD-QUCCMNQESA-N 1 0 393.491 2.713 20 0 GFADRO c1ccc(-c2nn[nH]n2)c(COc2cccc(C[NH2+]CC[C@@H]3CCOC3)c2)c1 ZINC000826516177 608135982 /nfs/dbraw/zinc/13/59/82/608135982.db2.gz ZMYMSRDBJGTKOW-MRXNPFEDSA-N 1 0 379.464 2.962 20 0 GFADRO CC[N@H+](CCc1cccs1)[C@H]1CCN(c2sccc2-c2nn[nH]n2)C1=O ZINC000825428088 608154962 /nfs/dbraw/zinc/15/49/62/608154962.db2.gz BEMDBMJTAYDCIO-AWEZNQCLSA-N 1 0 388.522 2.660 20 0 GFADRO CC[N@H+](CCc1cccs1)[C@H]1CCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000825429264 608155240 /nfs/dbraw/zinc/15/52/40/608155240.db2.gz ZVHRSWOXZBSFKO-KRWDZBQOSA-N 1 0 382.493 2.598 20 0 GFADRO C[C@@H]([NH2+]CCOc1ccc(-c2nn[nH]n2)cc1)c1ccc(N2CCCC2=O)cc1 ZINC000824599094 608279746 /nfs/dbraw/zinc/27/97/46/608279746.db2.gz MDMUEZMKANDKND-OAHLLOKOSA-N 1 0 392.463 2.723 20 0 GFADRO COc1ccc(C[NH2+][C@@H](C)CC(=O)Nc2ccc(C)cc2C)cc1-c1nn[nH]n1 ZINC000826201686 608286391 /nfs/dbraw/zinc/28/63/91/608286391.db2.gz BIBKLTLEBKFCHA-HNNXBMFYSA-N 1 0 394.479 2.999 20 0 GFADRO CC[N@H+](CCC1CCN(c2nnc(C)c(C)c2-c2nn[nH]n2)CC1)CC(C)C ZINC000825419211 608297675 /nfs/dbraw/zinc/29/76/75/608297675.db2.gz LDNZZGHFVFNOSQ-UHFFFAOYSA-N 1 0 386.548 2.858 20 0 GFADRO CCC[C@H]1CN(c2c(-c3nn[nH]n3)cnc3c(C)cccc32)CC[N@@H+]1CCOC ZINC000825259580 608303812 /nfs/dbraw/zinc/30/38/12/608303812.db2.gz JKYYMLMBIAAVCP-INIZCTEOSA-N 1 0 395.511 2.660 20 0 GFADRO COc1cc(-c2nn[nH]n2)ccc1C[N@@H+]1CC[C@H](CNc2cc(C)ccn2)C1 ZINC000826168377 608359326 /nfs/dbraw/zinc/35/93/26/608359326.db2.gz LEQRZVNIZDJYBF-OAHLLOKOSA-N 1 0 379.468 2.513 20 0 GFADRO CC(C)c1cnc(CN(C)[C@H]2CC[N@H+](Cc3cccc(-c4nn[nH]n4)c3F)C2)o1 ZINC000824352613 608396987 /nfs/dbraw/zinc/39/69/87/608396987.db2.gz KLABFZBNPHAGMI-HNNXBMFYSA-N 1 0 399.474 2.824 20 0 GFADRO c1cc(C[N@H+]2CC=C(c3ccc(-c4nn[nH]n4)cc3)CC2)c2c(c1)OCCO2 ZINC000823868263 608463028 /nfs/dbraw/zinc/46/30/28/608463028.db2.gz SVNVYSXCBBMXLA-UHFFFAOYSA-N 1 0 375.432 2.927 20 0 GFADRO CC(C)c1ccc(CCNC(=O)C[NH2+][C@@H](C)c2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000824347813 608464670 /nfs/dbraw/zinc/46/46/70/608464670.db2.gz OQEWKOJTFOWASV-INIZCTEOSA-N 1 0 392.507 3.000 20 0 GFADRO C[C@@H]([NH2+]CCOc1cccc(-c2nn[nH]n2)c1)c1cccc(N2CCCC2=O)c1 ZINC000824599001 608476017 /nfs/dbraw/zinc/47/60/17/608476017.db2.gz KUKGXLGMVUSSME-OAHLLOKOSA-N 1 0 392.463 2.723 20 0 GFADRO C[C@@H]([NH2+][C@@H](C)c1cccc(O)c1)C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000824533119 608476028 /nfs/dbraw/zinc/47/60/28/608476028.db2.gz ZBMKDDPDNKYOPV-WDEREUQCSA-N 1 0 386.843 2.904 20 0 GFADRO C[C@H]([NH2+]CC(=O)NC1(c2ccccc2)CCC1)c1cccc(-c2nn[nH]n2)c1 ZINC000824553467 608480329 /nfs/dbraw/zinc/48/03/29/608480329.db2.gz BRZSAGUEQISADQ-HNNXBMFYSA-N 1 0 376.464 2.713 20 0 GFADRO C[C@H]([NH2+]CC(=O)N(C)c1nc2ccccc2s1)c1cccc(-c2nn[nH]n2)c1 ZINC000824553688 608482064 /nfs/dbraw/zinc/48/20/64/608482064.db2.gz FWISRQQPBRBWEE-LBPRGKRZSA-N 1 0 393.476 2.790 20 0 GFADRO Cc1ccccc1C[C@H](C)NC(=O)C[NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1 ZINC000826307234 608482782 /nfs/dbraw/zinc/48/27/82/608482782.db2.gz ZPCZQTXGUIBEQL-HOTGVXAUSA-N 1 0 378.480 2.573 20 0 GFADRO CCN(Cc1cccc(F)c1)C(=O)C[NH2+][C@H](C)c1cccc(-c2nn[nH]n2)c1 ZINC000825434815 608483922 /nfs/dbraw/zinc/48/39/22/608483922.db2.gz GFAOZFOVTDIBNU-CQSZACIVSA-N 1 0 382.443 2.705 20 0 GFADRO C[C@@H]([NH2+]Cc1nc(=O)c2c3c(sc2[nH]1)CCC3)c1cccc(-c2nn[nH]n2)c1 ZINC000824632761 608488837 /nfs/dbraw/zinc/48/88/37/608488837.db2.gz DEERLUWXDYOVBJ-SNVBAGLBSA-N 1 0 393.476 2.917 20 0 GFADRO Cc1ccc(SCCNC(=O)C[NH2+][C@@H](C)c2cccc(-c3nn[nH]n3)c2)cc1 ZINC000826293050 608489040 /nfs/dbraw/zinc/48/90/40/608489040.db2.gz YMTLNYUZRPMGLM-HNNXBMFYSA-N 1 0 396.520 2.734 20 0 GFADRO C[C@@H]([NH2+]Cc1ccc(C(=O)N2CCCC2)cc1)c1cccc(-c2nn[nH]n2)c1 ZINC000824613607 608489757 /nfs/dbraw/zinc/48/97/57/608489757.db2.gz VPUSHXVWEPKYFF-OAHLLOKOSA-N 1 0 376.464 2.954 20 0 GFADRO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc(-c2nn[nH]n2)cc1Cl ZINC000825219800 608495221 /nfs/dbraw/zinc/49/52/21/608495221.db2.gz MMNNYSIFEYXZRG-CHWSQXEVSA-N 1 0 375.864 2.611 20 0 GFADRO Fc1ccc(/C=C/CN2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)cc1 ZINC000826374418 608502956 /nfs/dbraw/zinc/50/29/56/608502956.db2.gz YIEDNLJJAHIPGM-OWOJBTEDSA-N 1 0 378.455 2.837 20 0 GFADRO O=C(NC1CC1)c1cccc(C[NH2+][C@H]2CCCc3cc(-c4nn[nH]n4)ccc32)c1 ZINC000826429117 608505719 /nfs/dbraw/zinc/50/57/19/608505719.db2.gz UUFFHBZGQZMMLA-FQEVSTJZSA-N 1 0 388.475 2.926 20 0 GFADRO COCc1ccc(CN2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)cc1 ZINC000826164901 608507261 /nfs/dbraw/zinc/50/72/61/608507261.db2.gz WJDJCIOKFUZIBT-UHFFFAOYSA-N 1 0 392.507 2.721 20 0 GFADRO c1nc(C2CC2)sc1CN1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826514317 608509282 /nfs/dbraw/zinc/50/92/82/608509282.db2.gz NUGUENCYLPTYNM-UHFFFAOYSA-N 1 0 395.536 2.909 20 0 GFADRO Cc1ccccc1[C@H]([NH2+]C[C@H](O)COc1ccc(-c2nn[nH]n2)cc1)C(C)C ZINC000826306046 608519952 /nfs/dbraw/zinc/51/99/52/608519952.db2.gz OPCSNTAEIOZVNQ-FXAWDEMLSA-N 1 0 381.480 2.902 20 0 GFADRO O=C1[C@@H]([NH2+][C@H]2CCCc3cc(-c4nn[nH]n4)ccc32)CCN1c1ccccc1F ZINC000826476743 608520841 /nfs/dbraw/zinc/52/08/41/608520841.db2.gz OCBNVZIZXBRPNF-ROUUACIJSA-N 1 0 392.438 2.778 20 0 GFADRO C[C@H](CNC(=O)OC(C)(C)C)C[NH2+][C@@H]1CCCc2cc(-c3nn[nH]n3)ccc21 ZINC000824421397 608524608 /nfs/dbraw/zinc/52/46/08/608524608.db2.gz SUYGFWLCHSKRRO-SUMWQHHRSA-N 1 0 386.500 2.995 20 0 GFADRO COc1cc(-c2nn[nH]n2)ccc1OCC[NH2+][C@H](c1ccccc1)[C@@H]1CCOC1 ZINC000826176480 608527940 /nfs/dbraw/zinc/52/79/40/608527940.db2.gz QRXWLDZSMONVQV-YLJYHZDGSA-N 1 0 395.463 2.622 20 0 GFADRO C[NH+]1CCC2(CCCN2C(=S)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)CC1 ZINC000826028855 608528625 /nfs/dbraw/zinc/52/86/25/608528625.db2.gz JNLUJGGEZKWKSV-UHFFFAOYSA-N 1 0 391.932 2.777 20 0 GFADRO c1cc(-c2nn[nH]n2)cc(C2([NH2+]CCCOc3ccc4c(c3)OCO4)CC2)c1 ZINC000826513572 608529777 /nfs/dbraw/zinc/52/97/77/608529777.db2.gz PIRCZOMRFZXZHU-UHFFFAOYSA-N 1 0 379.420 2.643 20 0 GFADRO CC(C)(C)OC(=O)N1CC[C@@H](C[NH2+]C2(c3cccc(-c4nn[nH]n4)c3)CC2)C1 ZINC000824104198 608531721 /nfs/dbraw/zinc/53/17/21/608531721.db2.gz PFEACXRMPHLMPM-AWEZNQCLSA-N 1 0 384.484 2.702 20 0 GFADRO COC(=O)C(C)(C)[C@H]([NH2+]CCOc1ccc(-c2nn[nH]n2)cc1)c1ccccc1 ZINC000826098972 608555280 /nfs/dbraw/zinc/55/52/80/608555280.db2.gz VANQCGMUGAAYCU-GOSISDBHSA-N 1 0 395.463 2.776 20 0 GFADRO CCn1nc(C)c(C[NH2+]C2CCC(Oc3ccc(-c4nn[nH]n4)cn3)CC2)c1C ZINC000825806907 608570229 /nfs/dbraw/zinc/57/02/29/608570229.db2.gz JMNSOCPOHBOXGR-UHFFFAOYSA-N 1 0 396.499 2.575 20 0 GFADRO c1[nH]nc2cc(C[NH2+]C3CCC(Oc4ccc(-c5nn[nH]n5)cn4)CC3)ccc12 ZINC000826518356 608571023 /nfs/dbraw/zinc/57/10/23/608571023.db2.gz KMRXCZAFKYNBGZ-UHFFFAOYSA-N 1 0 390.451 2.618 20 0 GFADRO c1nc2cc(C[NH2+]C3CCC(Oc4ccc(-c5nn[nH]n5)cn4)CC3)ccc2[nH]1 ZINC000826526929 608571092 /nfs/dbraw/zinc/57/10/92/608571092.db2.gz RWMXUJCMGLRJRT-UHFFFAOYSA-N 1 0 390.451 2.618 20 0 GFADRO CCOC(=O)C(F)(F)[C@@H]1CC[C@@H]([NH2+][C@H](C)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000825491965 608579749 /nfs/dbraw/zinc/57/97/49/608579749.db2.gz AZVMVNMKIHBFIW-KCPJHIHWSA-N 1 0 379.411 2.884 20 0 GFADRO Cc1cccn2c(C[N@@H+]3CCCN(c4ccccc4-c4nn[nH]n4)CC3)cnc12 ZINC000826308453 608585247 /nfs/dbraw/zinc/58/52/47/608585247.db2.gz ZZLJFVMSFNMDAD-UHFFFAOYSA-N 1 0 388.479 2.535 20 0 GFADRO CC(=O)Nc1ccc(C[NH+]2CCC(Oc3cccc(-c4nn[nH]n4)c3)CC2)cc1 ZINC000824000065 608602264 /nfs/dbraw/zinc/60/22/64/608602264.db2.gz SIKNKIZHUNNYCF-UHFFFAOYSA-N 1 0 392.463 2.869 20 0 GFADRO COc1cccc(C[NH+]2CCC(Oc3cccc(-c4nn[nH]n4)c3)CC2)c1OC ZINC000826216347 608603027 /nfs/dbraw/zinc/60/30/27/608603027.db2.gz USPIQWAOORECTK-UHFFFAOYSA-N 1 0 395.463 2.927 20 0 GFADRO CC[N@H+](CCC(=O)OC)Cc1cccc(OCc2cccc(-c3nn[nH]n3)c2)c1 ZINC000825419971 608620873 /nfs/dbraw/zinc/62/08/73/608620873.db2.gz WWRYOGJHHPAHBF-UHFFFAOYSA-N 1 0 395.463 2.831 20 0 GFADRO Fc1cc(-c2nn[nH]n2)ccc1N1CC[NH+](Cc2cccc3[nH]ccc32)CC1 ZINC000826372029 608639982 /nfs/dbraw/zinc/63/99/82/608639982.db2.gz DIVGZKIPBGYAHL-UHFFFAOYSA-N 1 0 377.427 2.809 20 0 GFADRO O=C(Nc1cccc(F)c1)C1CC[NH+](Cc2cccc(-c3nn[nH]n3)c2F)CC1 ZINC000826456626 608652685 /nfs/dbraw/zinc/65/26/85/608652685.db2.gz PCRCAYSIFOCACR-UHFFFAOYSA-N 1 0 398.417 2.996 20 0 GFADRO COC[C@H]1CC[N@H+](Cc2cccc(OCc3ccccc3-c3nn[nH]n3)c2)C1 ZINC000826153331 608697662 /nfs/dbraw/zinc/69/76/62/608697662.db2.gz JWBAZXQPKPXPMT-KRWDZBQOSA-N 1 0 379.464 2.914 20 0 GFADRO Fc1ccc(CC[N@H+](Cc2cnc3ccc(-c4nn[nH]n4)cn23)C2CC2)cc1 ZINC000826373837 608699583 /nfs/dbraw/zinc/69/95/83/608699583.db2.gz BLNKIJZLIVILSH-UHFFFAOYSA-N 1 0 377.427 2.861 20 0 GFADRO C[N@H+](Cc1cnc2ccc(-c3nn[nH]n3)cn12)[C@@H]1CCCN(c2ccccc2)C1 ZINC000825992498 608713017 /nfs/dbraw/zinc/71/30/17/608713017.db2.gz YXROAEJTPWNXTF-GOSISDBHSA-N 1 0 388.479 2.615 20 0 GFADRO CCCCO[C@@H]1C[C@H]([N@H+](C)Cc2cnc3ccc(-c4nn[nH]n4)cn23)C1(C)C ZINC000825291382 608750492 /nfs/dbraw/zinc/75/04/92/608750492.db2.gz QMPDPFWKIRKPOA-DLBZAZTESA-N 1 0 383.500 2.930 20 0 GFADRO C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@@H+]1Cc1ccc(-c2nn[nH]n2)s1 ZINC000824892352 608845914 /nfs/dbraw/zinc/84/59/14/608845914.db2.gz HDMNNSKGZXYPHM-RYUDHWBXSA-N 1 0 378.502 2.806 20 0 GFADRO CC[C@@H]1CN(C(=O)C(C)C)CC[C@@H]1[NH2+][C@@H](C)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000825204465 609148666 /nfs/dbraw/zinc/14/86/66/609148666.db2.gz RBTAKTCFFYTSNL-IYOUNJFTSA-N 1 0 388.491 2.940 20 0 GFADRO C[C@H]1CC[C@H](C(F)(F)F)C[N@@H+]1CCC(=O)Nc1ccccc1-c1nn[nH]n1 ZINC000824906151 609148734 /nfs/dbraw/zinc/14/87/34/609148734.db2.gz AJZQUOQCLJKMMP-RYUDHWBXSA-N 1 0 382.390 2.858 20 0 GFADRO C[C@@H]1CC[C@H](C(F)(F)F)C[N@@H+]1CCC(=O)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000824910889 609149149 /nfs/dbraw/zinc/14/91/49/609149149.db2.gz ZBBUEPAZHPIYLT-YPMHNXCESA-N 1 0 382.390 2.858 20 0 GFADRO O[C@H](COc1ccc(-c2nn[nH]n2)cc1)C[N@@H+]1CCC[C@@H]1/C=C\c1ccccc1 ZINC000826504260 609150351 /nfs/dbraw/zinc/15/03/51/609150351.db2.gz RFTDUIDGMYBTKF-NUEUPRNCSA-N 1 0 391.475 2.784 20 0 GFADRO C[C@@H]([NH2+]CCc1nnc(-c2ccccc2)o1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824607167 609153498 /nfs/dbraw/zinc/15/34/98/609153498.db2.gz VRGYUKRFXYIJMK-GFCCVEGCSA-N 1 0 379.399 2.949 20 0 GFADRO C[C@@H]([NH2+][C@@H](C)c1ccc(-n2ccnn2)cc1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824532860 609154271 /nfs/dbraw/zinc/15/42/71/609154271.db2.gz XHKQYZVZSMJXME-QWHCGFSZSA-N 1 0 378.415 2.998 20 0 GFADRO C[C@H]([NH2+]C[C@H](NC(=O)OC(C)(C)C)C1CC1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824569171 609154481 /nfs/dbraw/zinc/15/44/81/609154481.db2.gz GHUMGNQWFXVCEJ-ZBEGNZNMSA-N 1 0 390.463 2.960 20 0 GFADRO CCc1cccnc1[C@@H](C)[NH2+]C1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1 ZINC000825728740 609166500 /nfs/dbraw/zinc/16/65/00/609166500.db2.gz YCBXZDRNOBQXDV-CQSZACIVSA-N 1 0 378.484 2.539 20 0 GFADRO C[C@@H](CCc1ccco1)[NH2+][C@@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000824412567 609168271 /nfs/dbraw/zinc/16/82/71/609168271.db2.gz BAVKFQTXJOXXPP-KBXCAEBGSA-N 1 0 380.452 2.566 20 0 GFADRO C[C@@H](Nc1ccc(N2CCC([NH+](C)C)CC2)cn1)c1cccc(-c2nn[nH]n2)c1 ZINC000824656831 609245471 /nfs/dbraw/zinc/24/54/71/609245471.db2.gz NIKBHQFRPUXRLR-OAHLLOKOSA-N 1 0 392.511 2.965 20 0 GFADRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2ccc(Cl)c(-c3nn[nH]n3)c2)C1 ZINC000824935403 609290020 /nfs/dbraw/zinc/29/00/20/609290020.db2.gz APWVZIODLYTRKL-GFCCVEGCSA-N 1 0 376.892 2.760 20 0 GFADRO C[C@@H]([NH2+][C@H](CO)Cc1c[nH]c2ccccc12)c1ccc(-c2nn[nH]n2)cc1F ZINC000824529061 609335477 /nfs/dbraw/zinc/33/54/77/609335477.db2.gz DHHHZDOPGZCLRV-DOMZBBRYSA-N 1 0 380.427 2.741 20 0 GFADRO CCC(CC)[C@H](C[NH2+]Cc1cn(C)nc1-c1ccc(-c2nn[nH]n2)cc1)N(C)C ZINC000825097509 609337018 /nfs/dbraw/zinc/33/70/18/609337018.db2.gz XHGYMJWBNBLELZ-IBGZPJMESA-N 1 0 396.543 2.723 20 0 GFADRO Cn1cc(C[NH2+]CCCc2ccc(O)cc2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826361721 609340789 /nfs/dbraw/zinc/34/07/89/609340789.db2.gz LBTIVKGQLVBXIP-UHFFFAOYSA-N 1 0 389.463 2.695 20 0 GFADRO CCc1cc(N2CCC[C@H]([NH2+][C@@H](C)c3ccc(-c4nn[nH]n4)cc3F)C2)ncn1 ZINC000825700805 609341307 /nfs/dbraw/zinc/34/13/07/609341307.db2.gz UDYLRSKYZIYYCZ-BBRMVZONSA-N 1 0 396.474 2.678 20 0 GFADRO C[C@@H]([NH2+]CCc1nc2cc(F)ccc2n1C)c1ccc(-c2nn[nH]n2)cc1F ZINC000824605786 609342765 /nfs/dbraw/zinc/34/27/65/609342765.db2.gz LKIVMMGSVRWWNA-LLVKDONJSA-N 1 0 383.406 2.925 20 0 GFADRO Cn1cc(C[NH2+]C[C@@H]2[C@@H]3Cc4ccccc4[C@H]23)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826360996 609343274 /nfs/dbraw/zinc/34/32/74/609343274.db2.gz GHJZLEUWVMCKCZ-HBMCJLEFSA-N 1 0 397.486 2.943 20 0 GFADRO C[C@@H]([NH2+]CCc1nnc(-c2ccccc2)o1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824605213 609343931 /nfs/dbraw/zinc/34/39/31/609343931.db2.gz GMNFZQLXQPOAPM-GFCCVEGCSA-N 1 0 379.399 2.949 20 0 GFADRO COc1ccc(-c2nn[nH]n2)cc1NC(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000826185907 609353506 /nfs/dbraw/zinc/35/35/06/609353506.db2.gz XQUASKUQZYCMKH-DZGCQCFKSA-N 1 0 399.499 2.650 20 0 GFADRO Brc1cc(-c2nn[nH]n2)ccc1C[N@@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000823820927 609362946 /nfs/dbraw/zinc/36/29/46/609362946.db2.gz MKUJYQJMKWGMKF-CYBMUJFWSA-N 1 0 388.273 2.732 20 0 GFADRO CCC[NH+]1CCC(N(C)Cc2ccc(-c3nn[nH]n3)cc2Br)CC1 ZINC000825328408 609364653 /nfs/dbraw/zinc/36/46/53/609364653.db2.gz RNYLHFMFDXMHPM-UHFFFAOYSA-N 1 0 393.333 2.935 20 0 GFADRO CN(CC[NH+]1CCCC1)C(=O)c1ccccc1Oc1ccccc1-c1nn[nH]n1 ZINC000825938060 609379274 /nfs/dbraw/zinc/37/92/74/609379274.db2.gz NNSVQDXXGVORLI-UHFFFAOYSA-N 1 0 392.463 2.827 20 0 GFADRO C[C@@H]([NH2+]C1CCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1)c1cncc(F)c1 ZINC000824548125 609406724 /nfs/dbraw/zinc/40/67/24/609406724.db2.gz VPUCTYIDXAVWIB-CQSZACIVSA-N 1 0 381.459 2.716 20 0 GFADRO C[C@H](C[NH2+][C@@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O)c1ccc(F)cc1 ZINC000824427466 609414351 /nfs/dbraw/zinc/41/43/51/609414351.db2.gz NOQXJWPOKRYQJO-AUUYWEPGSA-N 1 0 394.454 2.895 20 0 GFADRO c1ccc(CC[NH+]2CCC(Nc3nc4ccccn4c3-c3nn[nH]n3)CC2)cc1 ZINC000826521124 609462925 /nfs/dbraw/zinc/46/29/25/609462925.db2.gz ACULEWRYMWCTQZ-UHFFFAOYSA-N 1 0 388.479 2.633 20 0 GFADRO Cc1ccnc(NCCCC[NH+]2CCN(c3ccccc3)CC2)c1-c1nn[nH]n1 ZINC000826313931 609538434 /nfs/dbraw/zinc/53/84/34/609538434.db2.gz YNNAHAWQCYZYOS-UHFFFAOYSA-N 1 0 392.511 2.584 20 0 GFADRO Cc1cc(C[NH2+][C@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)cnc1Cl ZINC000826266938 609601478 /nfs/dbraw/zinc/60/14/78/609601478.db2.gz IORXPNXQLHQGMV-INIZCTEOSA-N 1 0 397.870 2.509 20 0 GFADRO Brc1c[nH+]c(NCc2cnc(C3CC3)nc2)cc1N1CCOCC1 ZINC000515373072 650592955 /nfs/dbraw/zinc/59/29/55/650592955.db2.gz ABMDCDJDFFTFJI-UHFFFAOYSA-N 1 0 390.285 2.960 20 0 GFADRO C[NH+](C)CCn1ccc(NC(=O)C2=Cc3cc(Br)ccc3OC2)n1 ZINC000523062517 650631315 /nfs/dbraw/zinc/63/13/15/650631315.db2.gz WGFZZJWSNIWQSL-UHFFFAOYSA-N 1 0 391.269 2.622 20 0 GFADRO O[C@@]1(C[NH2+]Cc2ncc(Br)cc2Br)CCSC1 ZINC000274827710 655203570 /nfs/dbraw/zinc/20/35/70/655203570.db2.gz IRCSHMSWTABTDR-LLVKDONJSA-N 1 0 382.121 2.564 20 0 GFADRO C[N@@H+]1CC[C@H](CNC(=O)c2cc(Br)sc2Br)C1 ZINC000116732377 655252462 /nfs/dbraw/zinc/25/24/62/655252462.db2.gz MDZXMBVGCYNCJR-SSDOTTSWSA-N 1 0 382.121 2.955 20 0 GFADRO O=C([C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000818016753 660213936 /nfs/dbraw/zinc/21/39/36/660213936.db2.gz OSZPFGDFXKUSDJ-SCLBCKFNSA-N 1 0 382.291 2.701 20 0 GFADRO Cc1c(Br)cccc1CC(=O)Nc1ccc(N2CC[NH2+]CC2)cn1 ZINC000818536066 660227992 /nfs/dbraw/zinc/22/79/92/660227992.db2.gz RNHKLMSTWKPVNY-UHFFFAOYSA-N 1 0 389.297 2.743 20 0 GFADRO CN(C(=O)[C@H]1CSCN1C(=O)c1ccc(Cl)cc1)C1CCC([NH3+])CC1 ZINC000818528803 660228055 /nfs/dbraw/zinc/22/80/55/660228055.db2.gz JGJAXINNOFIIFK-UYSNPLJNSA-N 1 0 381.929 2.583 20 0 GFADRO CCOC(=O)C(F)(F)[C@@H]1CC[C@@H]([NH2+][C@H](C)c2ncc(C(=O)OC)s2)C1 ZINC000818357718 660224437 /nfs/dbraw/zinc/22/44/37/660224437.db2.gz JNXDAOUJWIYUHH-GMTAPVOTSA-N 1 0 376.425 2.947 20 0 GFADRO O=C(CC[NH2+]C[C@@H](O)c1ccc(F)cn1)Nc1ccc(Br)cc1 ZINC000818967862 660239282 /nfs/dbraw/zinc/23/92/82/660239282.db2.gz DEOXPMWAWDBETG-OAHLLOKOSA-N 1 0 382.233 2.635 20 0 GFADRO CN(C)S(=O)(=O)c1ccccc1C[NH2+]C[C@H](O)c1ccc(Cl)c(F)c1 ZINC000818945680 660236385 /nfs/dbraw/zinc/23/63/85/660236385.db2.gz NXLIQVVSBVKUNR-INIZCTEOSA-N 1 0 386.876 2.553 20 0 GFADRO CN(C)C(=O)C1(C[NH2+]C[C@H](O)c2ccc(F)c(Br)c2)CCCC1 ZINC000819070571 660245486 /nfs/dbraw/zinc/24/54/86/660245486.db2.gz WZXIWVMLYZGXRE-HNNXBMFYSA-N 1 0 387.293 2.860 20 0 GFADRO O=C(Cc1cccc(F)c1)NCC[NH2+]C[C@@H](O)c1ccc(Br)cc1 ZINC000818990314 660242172 /nfs/dbraw/zinc/24/21/72/660242172.db2.gz HIUSISYARZNLDJ-QGZVFWFLSA-N 1 0 395.272 2.570 20 0 GFADRO O=C(C[NH2+]C[C@@H](O)c1ccc(F)c(Br)c1)N1CCc2ccccc21 ZINC000818999435 660242654 /nfs/dbraw/zinc/24/26/54/660242654.db2.gz RHZWKKNZDMYMAM-QGZVFWFLSA-N 1 0 393.256 2.801 20 0 GFADRO O=C(C[NH2+]C[C@@H](O)c1ccc(Br)cc1)N1CCc2ccccc2C1 ZINC000819003124 660242920 /nfs/dbraw/zinc/24/29/20/660242920.db2.gz SLLPWQKTUFHVFW-GOSISDBHSA-N 1 0 389.293 2.657 20 0 GFADRO CS(=O)(=O)c1ccc(OCC[NH2+]C[C@H](O)c2ccc(F)cc2Cl)cc1 ZINC000819023093 660243887 /nfs/dbraw/zinc/24/38/87/660243887.db2.gz ALFPIKHXEAPMTQ-KRWDZBQOSA-N 1 0 387.860 2.585 20 0 GFADRO CNC(=O)c1cccc(CC[NH2+]C[C@H](O)c2ccc(F)c(Br)c2)c1 ZINC000819095910 660246365 /nfs/dbraw/zinc/24/63/65/660246365.db2.gz VVESHOLGZGSKJA-KRWDZBQOSA-N 1 0 395.272 2.814 20 0 GFADRO CC1(CC[NH2+]C[C@@H](O)COc2ccc(Cl)cc2Br)OCCO1 ZINC000819226967 660250960 /nfs/dbraw/zinc/25/09/60/660250960.db2.gz CXLLIRZPAZIREL-GFCCVEGCSA-N 1 0 394.693 2.585 20 0 GFADRO CO[C@@H](C[NH2+]C[C@H](O)c1ccc(S(C)(=O)=O)cc1)c1ccc(Cl)cc1 ZINC000819107367 660246725 /nfs/dbraw/zinc/24/67/25/660246725.db2.gz XRPAHLJDOFJFQY-ROUUACIJSA-N 1 0 383.897 2.754 20 0 GFADRO CCN(C)C(=O)[C@@H](C)[NH2+]C[C@@](C)(O)c1ccc(Br)cc1Cl ZINC000819258486 660252282 /nfs/dbraw/zinc/25/22/82/660252282.db2.gz NVGZLPUBJHCHEZ-MEBBXXQBSA-N 1 0 377.710 2.766 20 0 GFADRO CC(C)(C)S(=O)(=O)N1CCC([NH2+]C[C@H](O)c2ccc(F)cc2Cl)CC1 ZINC000819261191 660252352 /nfs/dbraw/zinc/25/23/52/660252352.db2.gz AYSURLFXUDVVHQ-INIZCTEOSA-N 1 0 392.924 2.695 20 0 GFADRO CS(=O)(=O)C1(C[NH2+]C[C@@H](O)c2ccc(OC(F)(F)F)cc2)CCCC1 ZINC000819308521 660254488 /nfs/dbraw/zinc/25/44/88/660254488.db2.gz WXVAVWUVEWTHLH-CQSZACIVSA-N 1 0 381.416 2.566 20 0 GFADRO O[C@@H](C[NH2+]C[C@H](N1CCOCC1)C(F)(F)F)c1ccc(Cl)cc1Cl ZINC000819309125 660254526 /nfs/dbraw/zinc/25/45/26/660254526.db2.gz LGDJKGLCVTXDIO-KBPBESRZSA-N 1 0 387.229 2.880 20 0 GFADRO C[C@](O)(C[NH2+][C@H]1C[C@@H]2CCCCN2C1=O)c1ccc(Br)cc1F ZINC000819358408 660256598 /nfs/dbraw/zinc/25/65/98/660256598.db2.gz GYTYUZITZXPXRX-NUTKFTJISA-N 1 0 385.277 2.539 20 0 GFADRO C[C@](O)(C[NH2+]CCCCCS(C)(=O)=O)c1ccc(Br)cc1F ZINC000819243332 660251716 /nfs/dbraw/zinc/25/17/16/660251716.db2.gz UOQABRDGFYAZHL-HNNXBMFYSA-N 1 0 396.322 2.600 20 0 GFADRO CN1CC[NH+](C[C@@H](O)CNc2ccc3cc(Br)ccc3c2)CC1 ZINC000819461411 660259354 /nfs/dbraw/zinc/25/93/54/660259354.db2.gz UMHZEAMAHZMNFY-SFHVURJKSA-N 1 0 378.314 2.623 20 0 GFADRO CCN(CC)C(=O)C[NH+]1CCC(NC(=O)/C=C/c2ccc(Cl)s2)CC1 ZINC000819788488 660270145 /nfs/dbraw/zinc/27/01/45/660270145.db2.gz VODPDPVTFOOAFZ-SOFGYWHQSA-N 1 0 383.945 2.864 20 0 GFADRO Cc1n[nH]c(C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)c1Br ZINC000819640163 660265997 /nfs/dbraw/zinc/26/59/97/660265997.db2.gz PGWSYELXTPQKQT-LSDHHAIUSA-N 1 0 389.297 2.827 20 0 GFADRO O=S(=O)(c1ccc(Cl)nc1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000819901711 660273306 /nfs/dbraw/zinc/27/33/06/660273306.db2.gz DRANQYKPSKEQFZ-DOTOQJQBSA-N 1 0 377.897 2.630 20 0 GFADRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)c2cc(N)nc(Br)c2)C1 ZINC000820346810 660290168 /nfs/dbraw/zinc/29/01/68/660290168.db2.gz NQLVJOGAXVUKEB-OAHLLOKOSA-N 1 0 389.297 2.773 20 0 GFADRO C[N@@H+]1CCC[C@H]1[C@H]1COCCN1C(=O)CSc1nc2ccccc2s1 ZINC000820459513 660294309 /nfs/dbraw/zinc/29/43/09/660294309.db2.gz UFRVQBDCCLJNCI-LSDHHAIUSA-N 1 0 377.535 2.710 20 0 GFADRO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1cc2ccc(Br)cc2c(=O)o1 ZINC000820559352 660297493 /nfs/dbraw/zinc/29/74/93/660297493.db2.gz WLWMSYYVSPJEQI-YGRLFVJLSA-N 1 0 379.254 2.720 20 0 GFADRO CC[C@@H](C)[N@H+](C)CCNS(=O)(=O)c1cnc(Cl)c(Br)c1 ZINC000820790299 660306273 /nfs/dbraw/zinc/30/62/73/660306273.db2.gz FKEOLZFJDJBELI-SECBINFHSA-N 1 0 384.727 2.506 20 0 GFADRO C[C@H]1CN(Cc2nc(Cl)ccc2Br)CC[N@@H+]1CC(C)(C)O ZINC000820885687 660309274 /nfs/dbraw/zinc/30/92/74/660309274.db2.gz BKXRWWJMWMHPGX-NSHDSACASA-N 1 0 376.726 2.775 20 0 GFADRO CO[C@H]1CC[C@@H]([N@@H+]2CCCN(S(=O)(=O)c3ccc(Cl)s3)CC2)C1 ZINC000821362417 660323208 /nfs/dbraw/zinc/32/32/08/660323208.db2.gz HJBXFSUQKKOLLW-OLZOCXBDSA-N 1 0 378.947 2.665 20 0 GFADRO Fc1cccc(C[N@H+](CCn2cnc(Br)n2)C[C@H]2CCCO2)c1 ZINC000821362558 660323212 /nfs/dbraw/zinc/32/32/12/660323212.db2.gz LDZREAYEIQRTDK-OAHLLOKOSA-N 1 0 383.265 2.861 20 0 GFADRO CC[NH+]1CCC(NC(=O)c2ccncc2Br)(C(F)(F)F)CC1 ZINC000821651188 660331092 /nfs/dbraw/zinc/33/10/92/660331092.db2.gz NHVWKXXMZWYRKJ-UHFFFAOYSA-N 1 0 380.208 2.991 20 0 GFADRO CS[C@H]1CN(C(=O)c2csc(Br)n2)C[C@@H]1[NH+]1CCCC1 ZINC000821893332 660336493 /nfs/dbraw/zinc/33/64/93/660336493.db2.gz FZMXHNDZMJDLIQ-QWRGUYRKSA-N 1 0 376.345 2.557 20 0 GFADRO CC[N@@H+]1CCCN(C(=O)C[C@H]2C(=O)Nc3c2cccc3Br)[C@@H](C)C1 ZINC000822569972 660348110 /nfs/dbraw/zinc/34/81/10/660348110.db2.gz ZSLQJISQBXBAHO-GXTWGEPZSA-N 1 0 394.313 2.818 20 0 GFADRO C[N@H+](CC[C@H]1CC1(Cl)Cl)CC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000822574773 660348472 /nfs/dbraw/zinc/34/84/72/660348472.db2.gz DULOLRXQQBKUNW-AWEZNQCLSA-N 1 0 386.323 2.977 20 0 GFADRO Cc1cc(-c2noc(-c3cn([C@H]4CCC[NH2+]C4)nn3)n2)ccc1Br ZINC000822659640 660351030 /nfs/dbraw/zinc/35/10/30/660351030.db2.gz RGKXIWWZUISOOZ-LBPRGKRZSA-N 1 0 389.257 2.991 20 0 GFADRO CC[C@@H](c1noc(-c2cn(CCC[NH3+])nn2)n1)c1ccc(Br)cc1 ZINC000822996248 660359632 /nfs/dbraw/zinc/35/96/32/660359632.db2.gz JZQKWYIIWKZJOP-CYBMUJFWSA-N 1 0 391.273 2.981 20 0 GFADRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1csc(I)n1 ZINC000823332019 660368553 /nfs/dbraw/zinc/36/85/53/660368553.db2.gz HASQVHKJRKMROJ-ZJUUUORDSA-N 1 0 393.294 2.598 20 0 GFADRO CC[N@H+](Cc1ccc(S(=O)(=O)N(C)C)s1)[C@H](C)[C@H](O)c1ccccc1 ZINC000823163334 660363556 /nfs/dbraw/zinc/36/35/56/660363556.db2.gz HPVGBMSKFAFISF-KDOFPFPSSA-N 1 0 382.551 2.942 20 0 GFADRO Ic1ccc(OCc2noc([C@H]3C[C@@]34CC[NH2+]C4)n2)cc1 ZINC000823167998 660363828 /nfs/dbraw/zinc/36/38/28/660363828.db2.gz PGGSKWKOQBFHQL-IUODEOHRSA-N 1 0 397.216 2.720 20 0 GFADRO O=S(=O)(N1CCC(C[NH2+]Cc2ccnc(Cl)c2F)CC1)C(F)(F)F ZINC000823845209 660381642 /nfs/dbraw/zinc/38/16/42/660381642.db2.gz BPUIXPMIXFOUHS-UHFFFAOYSA-N 1 0 389.802 2.525 20 0 GFADRO C[NH+]1CCN(CCCOc2ccc(NC(=O)C3(Br)CC3)cc2)CC1 ZINC000824208180 660387283 /nfs/dbraw/zinc/38/72/83/660387283.db2.gz KWYJILLPZIFORK-UHFFFAOYSA-N 1 0 396.329 2.569 20 0 GFADRO COCC(C)(C)[NH+]1CCN(C(=O)Nc2cnc(Br)cc2C)CC1 ZINC000824232419 660387640 /nfs/dbraw/zinc/38/76/40/660387640.db2.gz AMBOCFLUZUCRRW-UHFFFAOYSA-N 1 0 385.306 2.727 20 0 GFADRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)c2ccc(C(F)(F)Br)nc2)C1 ZINC000824295843 660389096 /nfs/dbraw/zinc/38/90/96/660389096.db2.gz SAFBFALPRSLRGQ-NSHDSACASA-N 1 0 376.245 2.986 20 0 GFADRO CC(C)[C@H](CNC(=O)OC(C)(C)C)C[N@@H+]1CCC[C@H](S(C)(=O)=O)CC1 ZINC000824339651 660390272 /nfs/dbraw/zinc/39/02/72/660390272.db2.gz YYLVPMPTHHIKFQ-CVEARBPZSA-N 1 0 376.563 2.682 20 0 GFADRO C[C@H](CCNC(=O)c1cnn(Cc2ccccc2)c1Br)[NH+](C)C ZINC000824949859 660406057 /nfs/dbraw/zinc/40/60/57/660406057.db2.gz LZUKWYUTTNRQDA-CYBMUJFWSA-N 1 0 379.302 2.764 20 0 GFADRO CCOC(=O)C1CCN(C(=O)C[C@@H](C)[NH2+]C[C@]2(C)CC2(Cl)Cl)CC1 ZINC000824773426 660401574 /nfs/dbraw/zinc/40/15/74/660401574.db2.gz KVDDFTGYZQNDEI-WBMJQRKESA-N 1 0 379.328 2.740 20 0 GFADRO C[C@@H](CCNC(=O)c1cnn(Cc2ccccc2)c1Br)[NH+](C)C ZINC000824949860 660406105 /nfs/dbraw/zinc/40/61/05/660406105.db2.gz LZUKWYUTTNRQDA-ZDUSSCGKSA-N 1 0 379.302 2.764 20 0 GFADRO C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]CCS(=O)(=O)C1CCOCC1 ZINC000824897017 660404411 /nfs/dbraw/zinc/40/44/11/660404411.db2.gz KHOQABWRBKNLDR-CYBMUJFWSA-N 1 0 379.444 2.820 20 0 GFADRO C[C@@H](C[NH2+]CCS(=O)(=O)C1CCOCC1)c1cccc(Br)c1 ZINC000824897159 660404433 /nfs/dbraw/zinc/40/44/33/660404433.db2.gz PBMTVOOWAQIAHD-ZDUSSCGKSA-N 1 0 390.343 2.736 20 0 GFADRO C[C@@H]([NH2+]CCS(=O)(=O)C1CCOCC1)[C@H](C)c1nc2ccccc2s1 ZINC000824903411 660404705 /nfs/dbraw/zinc/40/47/05/660404705.db2.gz GFRVFAGBZQWCGE-UONOGXRCSA-N 1 0 382.551 2.972 20 0 GFADRO CCON(C)C(=O)C[NH2+]Cc1cc(Br)cc(Br)c1 ZINC000846065591 661528813 /nfs/dbraw/zinc/52/88/13/661528813.db2.gz XSIHGBRRLJCUNN-UHFFFAOYSA-N 1 0 380.080 2.711 20 0 GFADRO Cn1ncc(C[NH2+]C[C@H](CO)Cc2cc(Br)ccc2F)c1Cl ZINC000825072517 660409575 /nfs/dbraw/zinc/40/95/75/660409575.db2.gz GUMHGKUOBNXBGJ-SNVBAGLBSA-N 1 0 390.684 2.916 20 0 GFADRO COC(=O)N1CCC([NH2+]C[C@H](CO)Cc2cccc(Br)c2C)CC1 ZINC000825133657 660412026 /nfs/dbraw/zinc/41/20/26/660412026.db2.gz KCFMOWUBHZLLIF-CQSZACIVSA-N 1 0 399.329 2.729 20 0 GFADRO O[C@H](C[NH2+]C1CCN(c2cnccn2)CC1)c1ccccc1Br ZINC000825343018 660421813 /nfs/dbraw/zinc/42/18/13/660421813.db2.gz HKJOKPRIHJOJCP-MRXNPFEDSA-N 1 0 377.286 2.531 20 0 GFADRO O=[S@@](CC[NH2+]Cc1ccc(I)cc1)CC(F)(F)F ZINC000850351334 661771197 /nfs/dbraw/zinc/77/11/97/661771197.db2.gz ZPTIWMGQVXDPCB-SFHVURJKSA-N 1 0 391.196 2.692 20 0 GFADRO C[NH+]1CCC2(CCN2C(=O)c2ccc(I)cc2F)CC1 ZINC000826069402 660449177 /nfs/dbraw/zinc/44/91/77/660449177.db2.gz XNDGPDLJCXVNOG-UHFFFAOYSA-N 1 0 388.224 2.741 20 0 GFADRO C[C@H]1CCN(C(=O)c2cc(Br)n(C)n2)CC[N@@H+]1Cc1ccccc1 ZINC000826527201 660455939 /nfs/dbraw/zinc/45/59/39/660455939.db2.gz BYFAZNLMBCTRQA-AWEZNQCLSA-N 1 0 391.313 2.919 20 0 GFADRO O=C(NC1CC[NH+](C2CCCC2)CC1)c1c(Br)nc2n1CCC2 ZINC000826665274 660460699 /nfs/dbraw/zinc/46/06/99/660460699.db2.gz OXGCKQNRMYVCEM-UHFFFAOYSA-N 1 0 381.318 2.729 20 0 GFADRO CC[C@@H]1CN(C(=O)c2cc(Br)cnc2Br)C[C@H](C)[NH2+]1 ZINC000826679148 660461027 /nfs/dbraw/zinc/46/10/27/660461027.db2.gz VHQPFVBOQSCPOY-WCBMZHEXSA-N 1 0 391.107 2.819 20 0 GFADRO CC[C@@H]1CN(C(=O)c2cc3ccc(Br)cc3c(=O)o2)C[C@H](C)[NH2+]1 ZINC000826679151 660461032 /nfs/dbraw/zinc/46/10/32/660461032.db2.gz VJMDLWRWRKRJTN-GXFFZTMASA-N 1 0 379.254 2.768 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)c2cc(Br)n(C)n2)C[N@@H+]1Cc1ccccc1 ZINC000826869836 660469248 /nfs/dbraw/zinc/46/92/48/660469248.db2.gz AHYNYZRLISEOLQ-TZMCWYRMSA-N 1 0 377.286 2.575 20 0 GFADRO COc1cc(/C=C/C(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)cc(Br)c1O ZINC000827348028 660490313 /nfs/dbraw/zinc/49/03/13/660490313.db2.gz ZIDWGPMYIDRHOI-MXKYZYEVSA-N 1 0 395.297 2.729 20 0 GFADRO C[N@@H+]1CC[C@H]2CN(C(=O)c3cc(I)ccc3F)CC[C@@H]21 ZINC000827301921 660488211 /nfs/dbraw/zinc/48/82/11/660488211.db2.gz SCXNXLXSSLHBMO-HZMBPMFUSA-N 1 0 388.224 2.597 20 0 GFADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)c2cc3sccc3nc2Cl)CC1 ZINC000827539087 660501353 /nfs/dbraw/zinc/50/13/53/660501353.db2.gz XSOBMGQHNYTAAB-ZDUSSCGKSA-N 1 0 380.945 2.953 20 0 GFADRO Cn1c(C(=O)N2CCC(C)([NH+](C)C)CC2)cc2cc(Br)cnc21 ZINC000827778823 660514170 /nfs/dbraw/zinc/51/41/70/660514170.db2.gz DTFCMTPZYRSLGF-UHFFFAOYSA-N 1 0 379.302 2.892 20 0 GFADRO C[C@]1(C[NH+]2CCC(N(CC(F)(F)F)S(C)(=O)=O)CC2)CC1(Cl)Cl ZINC000827813181 660517457 /nfs/dbraw/zinc/51/74/57/660517457.db2.gz NLZXGQMWPCVNOM-LLVKDONJSA-N 1 0 397.290 2.859 20 0 GFADRO Cc1cc([C@@H]([NH3+])CC(=O)NCc2nccn2CC(F)(F)F)cc(Cl)n1 ZINC000828530655 660555368 /nfs/dbraw/zinc/55/53/68/660555368.db2.gz BSRCKDHFIJZZSF-NSHDSACASA-N 1 0 375.782 2.509 20 0 GFADRO C[C@H](NC(=O)[C@@]1(C)CC1(Br)Br)C(C)(C)C[NH+](C)C ZINC000828622412 660560010 /nfs/dbraw/zinc/56/00/10/660560010.db2.gz SDDDMZBUWTUSSH-JOYOIKCWSA-N 1 0 384.156 2.975 20 0 GFADRO CN(CC[NH+]1CC2(C1)CCOCC2)C(=O)c1cccc(Br)c1F ZINC000829241593 660586226 /nfs/dbraw/zinc/58/62/26/660586226.db2.gz CFMRLTIJYIUGLS-UHFFFAOYSA-N 1 0 385.277 2.773 20 0 GFADRO Cc1cc(Br)ccc1C(=O)N(C)CC[NH+]1CC2(C1)CCOCC2 ZINC000829280383 660587348 /nfs/dbraw/zinc/58/73/48/660587348.db2.gz IEPDMXUVSISUJP-UHFFFAOYSA-N 1 0 381.314 2.942 20 0 GFADRO C[N@H+](C[C@@]1(O)CCc2ccccc21)[C@H](C(N)=O)c1ccc(Br)cc1 ZINC000829365589 660590097 /nfs/dbraw/zinc/59/00/97/660590097.db2.gz IWSCJUSEKJLVRO-HKUYNNGSSA-N 1 0 389.293 2.741 20 0 GFADRO Cc1cc(NC(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)cc(S(C)(=O)=O)c1 ZINC000829651311 660605390 /nfs/dbraw/zinc/60/53/90/660605390.db2.gz IDFZTZOLTVEVMA-MRXNPFEDSA-N 1 0 382.551 2.555 20 0 GFADRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)c2cc(Br)cc3c2OCCO3)C1 ZINC000829705772 660608449 /nfs/dbraw/zinc/60/84/49/660608449.db2.gz TWVBRVGVOMDUGO-OLZOCXBDSA-N 1 0 383.286 2.823 20 0 GFADRO Cc1nc(Br)sc1C(=O)NCCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000829800266 660614553 /nfs/dbraw/zinc/61/45/53/660614553.db2.gz DLAHMDZNDIRGBZ-GHMZBOCLSA-N 1 0 390.347 2.833 20 0 GFADRO CCO[C@@H]1C[C@@H]([NH2+]CC(=O)Nc2sc(C)c(C)c2C(=O)OC)[C@@H]1SC ZINC000830435091 660656777 /nfs/dbraw/zinc/65/67/77/660656777.db2.gz LFBKQSYPCLROHJ-JMSVASOKSA-N 1 0 386.539 2.589 20 0 GFADRO CCS(=O)(=O)c1ccccc1CCNC(=O)c1sccc1C[NH+](C)C ZINC000830586636 660665801 /nfs/dbraw/zinc/66/58/01/660665801.db2.gz ISHZOBMUHCUGHK-UHFFFAOYSA-N 1 0 380.535 2.576 20 0 GFADRO Cc1cc([C@H]([NH3+])CC(=O)N2CCN([C@H](C)C(F)(F)F)CC2)cc(Cl)n1 ZINC000831047629 660692048 /nfs/dbraw/zinc/69/20/48/660692048.db2.gz TVEFWNIPTGCJST-DGCLKSJQSA-N 1 0 378.826 2.528 20 0 GFADRO O=C(N[C@H]1C[NH2+]CCC1(F)F)N1CCO[C@@H](c2c(F)cccc2Cl)C1 ZINC000831196420 660703210 /nfs/dbraw/zinc/70/32/10/660703210.db2.gz BXZQWYRSFCOIQV-OLZOCXBDSA-N 1 0 377.794 2.559 20 0 GFADRO CCO[C@H](CNC(=O)c1cc(F)c(Br)cc1Cl)C[NH+](C)C ZINC000831723518 660722913 /nfs/dbraw/zinc/72/29/13/660722913.db2.gz IFCWSQTZGUJWFU-SECBINFHSA-N 1 0 381.673 2.938 20 0 GFADRO COCC[N@H+]1[C@H](C)CN(C(=O)Nc2cc(Br)cnc2C)C[C@@H]1C ZINC000831844034 660731599 /nfs/dbraw/zinc/73/15/99/660731599.db2.gz HLGLSKLEUSBIDC-TXEJJXNPSA-N 1 0 385.306 2.725 20 0 GFADRO C[NH+](C)Cc1ccsc1C(=O)NCC1(n2cc(Br)cn2)CC1 ZINC000832239779 660767153 /nfs/dbraw/zinc/76/71/53/660767153.db2.gz BVYVZZSDBMBFNL-UHFFFAOYSA-N 1 0 383.315 2.688 20 0 GFADRO CC[NH+]1CCN(CC(C)(C)NS(=O)(=O)/C=C/c2ccc(Cl)cc2)CC1 ZINC000832679524 660794650 /nfs/dbraw/zinc/79/46/50/660794650.db2.gz GGMBZYVCVILFLQ-NTEUORMPSA-N 1 0 385.961 2.646 20 0 GFADRO C[C@@](O)(C[NH2+]CCCOC[C@@H]1CCCO1)c1ccc(Br)cc1F ZINC000834357318 660816155 /nfs/dbraw/zinc/81/61/55/660816155.db2.gz LGNGBJYUVWWIPN-WMLDXEAASA-N 1 0 390.293 2.971 20 0 GFADRO C[C@@H](CN1CCOCC1)[NH2+]C[C@](C)(O)c1ccc(Br)cc1Cl ZINC000834362478 660816273 /nfs/dbraw/zinc/81/62/73/660816273.db2.gz BPADNFQGQJNCRJ-LRDDRELGSA-N 1 0 391.737 2.620 20 0 GFADRO O=C(NCc1ncc(Cl)s1)c1ccc(C[NH+]2CCC(CO)CC2)cc1 ZINC000834561774 660824940 /nfs/dbraw/zinc/82/49/40/660824940.db2.gz SGXMYLXEKMZVLU-UHFFFAOYSA-N 1 0 379.913 2.931 20 0 GFADRO CCC[C@H](C)NS(=O)(=O)c1cc(C(=O)NC[C@H](C)[NH3+])c(Cl)cc1Cl ZINC000834682416 660829801 /nfs/dbraw/zinc/82/98/01/660829801.db2.gz SDNYNTIEBZCCOT-UWVGGRQHSA-N 1 0 396.340 2.537 20 0 GFADRO COC(=O)N1CC([NH2+][C@H](C)c2ccc(F)c(I)c2)C1 ZINC000834685223 660829812 /nfs/dbraw/zinc/82/98/12/660829812.db2.gz MHTJLJFVKNLQIS-MRVPVSSYSA-N 1 0 378.185 2.532 20 0 GFADRO CCC[NH+](CCC)CCCNC(=O)C(=O)Nc1cc(C)cc(Br)n1 ZINC000835114931 660841292 /nfs/dbraw/zinc/84/12/92/660841292.db2.gz FHOYNASQLBPWAT-UHFFFAOYSA-N 1 0 399.333 2.719 20 0 GFADRO Nc1nc(N2CCC[C@H](OC(=O)Cc3sccc3Br)C2)cc[nH+]1 ZINC000835372043 660853778 /nfs/dbraw/zinc/85/37/78/660853778.db2.gz OWQGRGVWDOWFDI-JTQLQIEISA-N 1 0 397.298 2.638 20 0 GFADRO CCC[NH+]1CCC(NC(=O)NC[C@@H](O)c2ccccc2Br)CC1 ZINC000836198834 660894979 /nfs/dbraw/zinc/89/49/79/660894979.db2.gz IQLQZOMOJYBBTB-MRXNPFEDSA-N 1 0 384.318 2.656 20 0 GFADRO CC(C)C[NH+]1CCC(NC(=O)NC[C@H](O)c2ccccc2Br)CC1 ZINC000836232108 660896408 /nfs/dbraw/zinc/89/64/08/660896408.db2.gz NGNNXTRHKYUAOW-KRWDZBQOSA-N 1 0 398.345 2.902 20 0 GFADRO Cc1c(Br)nccc1NC(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000836679453 660926709 /nfs/dbraw/zinc/92/67/09/660926709.db2.gz DRXHJXUIHPAQKW-GJZGRUSLSA-N 1 0 397.317 2.652 20 0 GFADRO CC(C)[NH+]1CCC(N2CCN(C(=O)NC[C@]3(C)CC3(Cl)Cl)CC2)CC1 ZINC000836588716 660918163 /nfs/dbraw/zinc/91/81/63/660918163.db2.gz JQXZTGQRMKLNGD-KRWDZBQOSA-N 1 0 391.387 2.770 20 0 GFADRO O[C@@H](C[NH2+]CCCCn1cc(Br)cn1)C[C@H](O)c1ccccc1 ZINC000905242997 654343576 /nfs/dbraw/zinc/34/35/76/654343576.db2.gz LRLJEONKRPVKLB-SJORKVTESA-N 1 0 382.302 2.500 20 0 GFADRO COC1CC[NH+](C(C)(C)CNC(=O)Nc2ccnc(Br)c2)CC1 ZINC000836693359 660931097 /nfs/dbraw/zinc/93/10/97/660931097.db2.gz PEQYSWHYFMQTHF-UHFFFAOYSA-N 1 0 385.306 2.855 20 0 GFADRO Cc1cc(Br)nc(NC(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)c1 ZINC000836760825 660939704 /nfs/dbraw/zinc/93/97/04/660939704.db2.gz SVMCCLGHORAIRQ-ZDUSSCGKSA-N 1 0 397.317 2.775 20 0 GFADRO C[NH+](C)CCNC(=S)N(Cc1cccs1)c1ccc2c(c1)OCCO2 ZINC000007102071 654462684 /nfs/dbraw/zinc/46/26/84/654462684.db2.gz YEUWCWYNWYGBAF-UHFFFAOYSA-N 1 0 377.535 2.962 20 0 GFADRO C[C@H]([NH2+]CC(=O)NCC(=O)Nc1ccccc1Br)c1ccccc1 ZINC000007336045 654468560 /nfs/dbraw/zinc/46/85/60/654468560.db2.gz PXHGVNYRIQVYGH-ZDUSSCGKSA-N 1 0 390.281 2.855 20 0 GFADRO C[NH+](C)CCNC(=S)NNC(=S)Nc1cc(C(F)(F)F)ccc1Cl ZINC000016266898 654516696 /nfs/dbraw/zinc/51/66/96/654516696.db2.gz ZCIFYBHJYBPQLD-UHFFFAOYSA-N 1 0 399.895 2.586 20 0 GFADRO C[C@H]1CN(C(=O)c2cc(Br)n(C)n2)CC[N@H+](Cc2ccccc2)C1 ZINC000836918963 660956776 /nfs/dbraw/zinc/95/67/76/660956776.db2.gz CTBLFSUDHWRMOT-CQSZACIVSA-N 1 0 391.313 2.777 20 0 GFADRO CC(C)(CNS(=O)(=O)c1ccccc1Br)[NH+]1CCCCC1 ZINC000026885471 654560527 /nfs/dbraw/zinc/56/05/27/654560527.db2.gz NCUIEVPDVNXCHY-UHFFFAOYSA-N 1 0 375.332 2.992 20 0 GFADRO CC[NH+]1CCC(NC(=O)CSc2nnc3sc4ccccc4n23)CC1 ZINC000027212892 654563158 /nfs/dbraw/zinc/56/31/58/654563158.db2.gz RZXIDRQGSGRPKG-UHFFFAOYSA-N 1 0 375.523 2.637 20 0 GFADRO CC(C)[NH+](CCNC(=O)c1cn(-c2ccccc2Br)nn1)C(C)C ZINC000028839063 654573442 /nfs/dbraw/zinc/57/34/42/654573442.db2.gz RGJLXDPQPKWORK-UHFFFAOYSA-N 1 0 394.317 2.878 20 0 GFADRO COc1ccc(NC(=O)C(=O)NC[C@@H](c2cccs2)[NH+](C)C)cc1Cl ZINC000038482981 654617800 /nfs/dbraw/zinc/61/78/00/654617800.db2.gz GVEMELAJZVDEEU-ZDUSSCGKSA-N 1 0 381.885 2.768 20 0 GFADRO Cc1ccc(S(=O)(=O)NC[C@@H](C)[NH+]2CCCCC2)c(Br)c1 ZINC000040446492 654621353 /nfs/dbraw/zinc/62/13/53/654621353.db2.gz WOCNZDDLXOFFBO-CYBMUJFWSA-N 1 0 375.332 2.910 20 0 GFADRO Cc1csc([C@@](O)(CC(=O)NCC[N@@H+]2CCCC2(C)C)C(F)(F)F)n1 ZINC000837176313 660975706 /nfs/dbraw/zinc/97/57/06/660975706.db2.gz FJQLAUMHAKDPET-HNNXBMFYSA-N 1 0 379.448 2.582 20 0 GFADRO C[C@@H]1C[NH+](CCCNC(=O)C(=O)Nc2cccc(Cl)c2Cl)C[C@@H](C)O1 ZINC000041275660 654625323 /nfs/dbraw/zinc/62/53/23/654625323.db2.gz ASRFEKZGSKTAKM-VXGBXAGGSA-N 1 0 388.295 2.547 20 0 GFADRO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)Nc1ccc(Br)cc1Cl ZINC000041605197 654627909 /nfs/dbraw/zinc/62/79/09/654627909.db2.gz PLMPZYQOPDADAE-SNVBAGLBSA-N 1 0 390.709 2.888 20 0 GFADRO C[C@H](CNC(=O)c1cc(Br)cn1C)[N@@H+]1CCc2ccccc2C1 ZINC000042720505 654643217 /nfs/dbraw/zinc/64/32/17/654643217.db2.gz SAUSQXIVSUGMPA-CYBMUJFWSA-N 1 0 376.298 2.964 20 0 GFADRO O=C(CCNC(=O)Nc1ccc(Br)cc1)NCCC[NH+]1CCCC1 ZINC000044355372 654656509 /nfs/dbraw/zinc/65/65/09/654656509.db2.gz ADWQVWXJLMAONN-UHFFFAOYSA-N 1 0 397.317 2.563 20 0 GFADRO C[N@@H+]1CCC[C@H](CNS(=O)(=O)c2ccc(Br)cc2Cl)C1 ZINC000044560346 654659686 /nfs/dbraw/zinc/65/96/86/654659686.db2.gz CVVOOMIIAWASGJ-SNVBAGLBSA-N 1 0 381.723 2.723 20 0 GFADRO C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[NH+]1CCC2(CC1)OCCO2 ZINC000045750385 654671096 /nfs/dbraw/zinc/67/10/96/654671096.db2.gz QZWZAEMUQRJLGB-CQSZACIVSA-N 1 0 397.313 2.635 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)NNC(=O)Cc1ccc(Cl)cc1)c1ccsc1 ZINC000046347485 654679360 /nfs/dbraw/zinc/67/93/60/654679360.db2.gz ZNFLXSQHSBXCCF-HNNXBMFYSA-N 1 0 380.901 2.577 20 0 GFADRO C[C@H]1C[NH+](CCCNC(=O)CCOc2cccc(Br)c2)C[C@H](C)O1 ZINC000047681716 654699327 /nfs/dbraw/zinc/69/93/27/654699327.db2.gz VWXHMLMJBQOGOA-GJZGRUSLSA-N 1 0 399.329 2.834 20 0 GFADRO Cc1cccc(N2CC[NH+](CCCNC(=O)CSC(F)(F)F)CC2)c1 ZINC000048174391 654703199 /nfs/dbraw/zinc/70/31/99/654703199.db2.gz JCZUDBKSVDDEDL-UHFFFAOYSA-N 1 0 375.460 2.876 20 0 GFADRO C[NH+]1CCN(c2cc(CNC(=O)c3ccc(Br)s3)ccn2)CC1 ZINC000048334512 654704925 /nfs/dbraw/zinc/70/49/25/654704925.db2.gz IBSSESOOTVVFGG-UHFFFAOYSA-N 1 0 395.326 2.587 20 0 GFADRO O=C(NC[C@H](O)C(F)(F)F)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000048740688 654712443 /nfs/dbraw/zinc/71/24/43/654712443.db2.gz CGCGOCQDHLVSQO-KGLIPLIRSA-N 1 0 379.810 2.699 20 0 GFADRO CN1CCC([NH+]2CCC(NC(=O)/C=C/c3ccc(Br)o3)CC2)CC1 ZINC000050802575 654721430 /nfs/dbraw/zinc/72/14/30/654721430.db2.gz KGQSSBHYJQHKOQ-HWKANZROSA-N 1 0 396.329 2.730 20 0 GFADRO Cc1c(Br)cccc1NC(=O)C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000121990441 654727288 /nfs/dbraw/zinc/72/72/88/654727288.db2.gz PBEBAFKTKLNXDS-XJKSGUPXSA-N 1 0 394.313 2.639 20 0 GFADRO COc1cc(C[NH2+]CCc2nc(C)c(C)s2)cc(Cl)c1OCC(N)=O ZINC000122625380 654741211 /nfs/dbraw/zinc/74/12/11/654741211.db2.gz PSWMFBUEGSCJPO-UHFFFAOYSA-N 1 0 383.901 2.618 20 0 GFADRO CC[C@@H]1CN(S(=O)(=O)c2ccc(Br)cc2Cl)CC[C@@H]1[NH3+] ZINC000122683350 654742228 /nfs/dbraw/zinc/74/22/28/654742228.db2.gz UVGCRBQQMRFTPT-SKDRFNHKSA-N 1 0 381.723 2.850 20 0 GFADRO CC[NH2+]Cc1cccc(NC(=O)CCn2cc(Br)ccc2=O)c1 ZINC000123043906 654751197 /nfs/dbraw/zinc/75/11/97/654751197.db2.gz WLBIDWATMMPXIJ-UHFFFAOYSA-N 1 0 378.270 2.749 20 0 GFADRO C[C@@H]1C[C@@H](N(C)CCS(=O)(=O)c2ccc(Br)cc2)CC[N@@H+]1C ZINC000123441620 654756164 /nfs/dbraw/zinc/75/61/64/654756164.db2.gz VQEVMDDOGNOEHY-HIFRSBDPSA-N 1 0 389.359 2.637 20 0 GFADRO O=C(C[N@H+](C[C@@H]1CCCO1)[C@@H]1CCSC1)N1CCC[C@H](C(F)(F)F)C1 ZINC000123737440 654762120 /nfs/dbraw/zinc/76/21/20/654762120.db2.gz WZANINHMSQIUTL-ZNMIVQPWSA-N 1 0 380.476 2.774 20 0 GFADRO CSCCCNC(=S)NCCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000054939584 654765635 /nfs/dbraw/zinc/76/56/35/654765635.db2.gz ORPBGKICBHTYBF-UHFFFAOYSA-N 1 0 380.627 2.806 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCN(c2cc(Cl)ccc2Cl)C1=O ZINC000123933602 654766382 /nfs/dbraw/zinc/76/63/82/654766382.db2.gz BMXQAEYOYWRCFX-KGLIPLIRSA-N 1 0 384.307 2.947 20 0 GFADRO COc1ccc(CNC(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)cc1Br ZINC000123998843 654768425 /nfs/dbraw/zinc/76/84/25/654768425.db2.gz ZYNAORUAQBBWBY-WCQYABFASA-N 1 0 382.302 2.882 20 0 GFADRO C[C@@H]1C[C@@H](N(C)C(=O)/C=C/c2ccc(I)o2)CC[N@@H+]1C ZINC000124274869 654773397 /nfs/dbraw/zinc/77/33/97/654773397.db2.gz PWZNJGXGUZELEA-BAEOLTKYSA-N 1 0 388.249 2.839 20 0 GFADRO C[N@@H+](Cc1cccc(C(N)=O)c1)C[C@H](O)COc1ccc(Cl)cc1Cl ZINC000056514825 654796575 /nfs/dbraw/zinc/79/65/75/654796575.db2.gz VUWIBNRSJWZNPG-HNNXBMFYSA-N 1 0 383.275 2.964 20 0 GFADRO Cc1nn(-c2ccc(C(=O)N3CC[NH2+]C[C@@H]3C)cc2)c(C)c1Br ZINC000125778528 654801759 /nfs/dbraw/zinc/80/17/59/654801759.db2.gz WVKYJXQFBSKGLZ-NSHDSACASA-N 1 0 377.286 2.686 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)CS(=O)(=O)c1ccc(Cl)cc1)C1CCCCC1 ZINC000057374941 654806217 /nfs/dbraw/zinc/80/62/17/654806217.db2.gz YDZSTYVQXMIUCK-KRWDZBQOSA-N 1 0 386.945 2.740 20 0 GFADRO C[C@@H](CNC(=O)c1cc(F)ccc1I)[N@H+](C)C1CC1 ZINC000057704587 654808555 /nfs/dbraw/zinc/80/85/55/654808555.db2.gz MRTXAZOAMANIKP-VIFPVBQESA-N 1 0 376.213 2.643 20 0 GFADRO CC(=O)N[C@H](CC(=O)NC[C@H](C)[N@H+](C)C1CC1)c1ccc(Br)cc1 ZINC000057716955 654809110 /nfs/dbraw/zinc/80/91/10/654809110.db2.gz RTFHUOROPNGWGL-YVEFUNNKSA-N 1 0 396.329 2.615 20 0 GFADRO C[C@@H]([NH2+]CC1CCN(S(C)(=O)=O)CC1)c1ccc(Br)cc1F ZINC000126492016 654814753 /nfs/dbraw/zinc/81/47/53/654814753.db2.gz UBHMUGIRKDKAOC-LLVKDONJSA-N 1 0 393.322 2.910 20 0 GFADRO CCC[NH+]1CCN(c2ccc(NC(=O)[C@]3(O)CCSC3)cc2Cl)CC1 ZINC000126627998 654816784 /nfs/dbraw/zinc/81/67/84/654816784.db2.gz ZRDDSFQRJKTVCN-SFHVURJKSA-N 1 0 383.945 2.679 20 0 GFADRO C[C@H](CNC(=O)N(C)C[C@H](O)c1ccccc1Br)C[NH+]1CCCC1 ZINC000837715853 661013232 /nfs/dbraw/zinc/01/32/32/661013232.db2.gz QPYPTJBWWXFYBM-PBHICJAKSA-N 1 0 398.345 2.856 20 0 GFADRO CCOc1c(Br)cc(C[NH2+]C[C@@H]2CCCS2(=O)=O)cc1OC ZINC000126797147 654820795 /nfs/dbraw/zinc/82/07/95/654820795.db2.gz WTOIIIWPOVCMHD-LBPRGKRZSA-N 1 0 392.315 2.523 20 0 GFADRO Cc1sc(=O)n(CC(=O)NCC2CC[NH+](Cc3cccs3)CC2)c1C ZINC000061567190 654840382 /nfs/dbraw/zinc/84/03/82/654840382.db2.gz YVDZKZKZTMJNCX-UHFFFAOYSA-N 1 0 379.551 2.617 20 0 GFADRO Cc1ccc(Br)c(S(=O)(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)c1 ZINC000128121498 654841207 /nfs/dbraw/zinc/84/12/07/654841207.db2.gz UFPUNJQQQWTDHN-CHWSQXEVSA-N 1 0 375.332 2.909 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1cccc(Br)c1)c1ccccc1 ZINC000061781748 654842727 /nfs/dbraw/zinc/84/27/27/654842727.db2.gz DNOOIYWRKCZIKR-INIZCTEOSA-N 1 0 390.281 2.807 20 0 GFADRO CC[NH+](CC)[C@@H]1CCN(S(=O)(=O)c2cc(Br)cnc2Cl)C1 ZINC000062970795 654848327 /nfs/dbraw/zinc/84/83/27/654848327.db2.gz LIUIMQQHNZCJKI-LLVKDONJSA-N 1 0 396.738 2.602 20 0 GFADRO CCC[NH+]1CCC(CNC(=O)C(=O)Nc2cc(Br)ccc2C)CC1 ZINC000128625697 654849076 /nfs/dbraw/zinc/84/90/76/654849076.db2.gz DLJCUZGVQMPTBU-UHFFFAOYSA-N 1 0 396.329 2.934 20 0 GFADRO C[N@@H+]1CCC[C@@H]2CN(S(=O)(=O)c3ccc(F)cc3Br)CC[C@@H]21 ZINC000129177228 654859146 /nfs/dbraw/zinc/85/91/46/654859146.db2.gz DSABMSFRIOZAKM-RISCZKNCSA-N 1 0 391.306 2.693 20 0 GFADRO COc1cc(C[NH2+]CCNS(=O)(=O)c2ccc(C)cc2)ccc1SC ZINC000063917011 654859575 /nfs/dbraw/zinc/85/95/75/654859575.db2.gz XSCNAQFWLDEWJB-UHFFFAOYSA-N 1 0 380.535 2.794 20 0 GFADRO O=S(=O)(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000064345323 654866879 /nfs/dbraw/zinc/86/68/79/654866879.db2.gz QKYDRSCYUDIVSG-WDEREUQCSA-N 1 0 398.834 2.500 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000065639262 654883583 /nfs/dbraw/zinc/88/35/83/654883583.db2.gz DCHYXPRYCDNQJR-AWEZNQCLSA-N 1 0 396.329 2.851 20 0 GFADRO C[C@H](NC(=O)C[C@H]1CC[NH2+]C1)c1nc(-c2ccc(Br)cc2)no1 ZINC000130253836 654886016 /nfs/dbraw/zinc/88/60/16/654886016.db2.gz PDSGVQIUEUFMQB-WDEREUQCSA-N 1 0 379.258 2.676 20 0 GFADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)/C=C/c1cnccn1 ZINC000065931839 654890822 /nfs/dbraw/zinc/89/08/22/654890822.db2.gz YFYMDIORCLXCOE-BQYQJAHWSA-N 1 0 389.297 2.843 20 0 GFADRO Cc1ccc(S(=O)(=O)NCC[NH2+]Cc2cc(Br)cs2)cc1 ZINC000065977255 654891814 /nfs/dbraw/zinc/89/18/14/654891814.db2.gz IYOUEMAXJNFVMU-UHFFFAOYSA-N 1 0 389.340 2.887 20 0 GFADRO CC[C@@H](NC(=O)N(CCOC)CC[NH+](C)C)c1nc(C(F)(F)F)cs1 ZINC000266785151 654893807 /nfs/dbraw/zinc/89/38/07/654893807.db2.gz YPRPAJSYPDQDQQ-LLVKDONJSA-N 1 0 382.452 2.833 20 0 GFADRO COc1cc(C[NH2+]C[C@H](O)COc2ccccc2Br)cc(OC)c1 ZINC000130968467 654894440 /nfs/dbraw/zinc/89/44/40/654894440.db2.gz LWXGTPYCCZJIDH-AWEZNQCLSA-N 1 0 396.281 2.996 20 0 GFADRO CC[C@@H](NC(=O)N[C@H]1CC[N@H+](CCOC)C1)c1nc(C(F)(F)F)cs1 ZINC000266805178 654895152 /nfs/dbraw/zinc/89/51/52/654895152.db2.gz NRBSCXWNJOJUFL-WDEREUQCSA-N 1 0 380.436 2.633 20 0 GFADRO COc1cc([C@H](C)[NH2+]C[C@H](C)N(C)C2CC2)ccc1S(=O)(=O)C(F)F ZINC000131006436 654895726 /nfs/dbraw/zinc/89/57/26/654895726.db2.gz CKJGUTUOUDNXEK-RYUDHWBXSA-N 1 0 376.469 2.825 20 0 GFADRO NC(=O)[C@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1c(Cl)cccc1C(F)(F)F ZINC000131183477 654897902 /nfs/dbraw/zinc/89/79/02/654897902.db2.gz OJAMOFJVPUGXBU-JOYOIKCWSA-N 1 0 377.794 2.931 20 0 GFADRO CN(Cc1ccccc1Br)C(=O)CN1CCC[C@H]1C[NH+]1CCCC1 ZINC000066536429 654905328 /nfs/dbraw/zinc/90/53/28/654905328.db2.gz WMMWONFNKABEFL-KRWDZBQOSA-N 1 0 394.357 2.968 20 0 GFADRO O=C(CSc1nc2ccccc2s1)NCCCC[N@H+]1CCC[C@H]1CO ZINC000131402952 654905492 /nfs/dbraw/zinc/90/54/92/654905492.db2.gz ZNMVBAWIOWOUGO-AWEZNQCLSA-N 1 0 379.551 2.742 20 0 GFADRO C[NH+](C)[C@]1(CNC(=O)N[C@H](c2nccs2)c2ccccc2)CCSC1 ZINC000267189802 654915946 /nfs/dbraw/zinc/91/59/46/654915946.db2.gz OHNYOZQHTCAKTH-YJBOKZPZSA-N 1 0 376.551 2.969 20 0 GFADRO CC(=O)Nc1ccc(S(=O)(=O)NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)cc1Cl ZINC000267191482 654916207 /nfs/dbraw/zinc/91/62/07/654916207.db2.gz LKHAHRBDSPCXBK-CHWSQXEVSA-N 1 0 387.933 2.697 20 0 GFADRO C[NH+]1CCC(C(=O)N2CCN(Cc3ccc(Br)c(F)c3)CC2)CC1 ZINC000131952920 654922705 /nfs/dbraw/zinc/92/27/05/654922705.db2.gz CMRPIHWHLLAZHC-UHFFFAOYSA-N 1 0 398.320 2.574 20 0 GFADRO [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)CCCc2cc(Cl)sc2Cl)C1 ZINC000132176112 654927926 /nfs/dbraw/zinc/92/79/26/654927926.db2.gz BFINUZIVMYWLQW-LBPRGKRZSA-N 1 0 392.352 2.691 20 0 GFADRO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)CCCc2cc(Cl)sc2Cl)C1 ZINC000132176351 654927990 /nfs/dbraw/zinc/92/79/90/654927990.db2.gz BFINUZIVMYWLQW-GFCCVEGCSA-N 1 0 392.352 2.691 20 0 GFADRO CSCc1ccc(NC(=O)C(=O)NC[C@@H](c2cccs2)[NH+](C)C)cc1 ZINC000067491454 654939317 /nfs/dbraw/zinc/93/93/17/654939317.db2.gz PGQKIIZMKUCPSQ-HNNXBMFYSA-N 1 0 377.535 2.969 20 0 GFADRO Cc1[nH]c(=O)c(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1Br ZINC000132603148 654943292 /nfs/dbraw/zinc/94/32/92/654943292.db2.gz FIISWMYYDKROBZ-BLLLJJGKSA-N 1 0 394.313 2.947 20 0 GFADRO C[N@@H+]1CCC[C@H](CNC(=O)c2cn(-c3ccc(Br)cc3)cn2)C1 ZINC000132646376 654944514 /nfs/dbraw/zinc/94/45/14/654944514.db2.gz RUAZJYKEWKQBKM-CYBMUJFWSA-N 1 0 377.286 2.706 20 0 GFADRO Cc1cc(NC(=O)C(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)ccc1Br ZINC000067764232 654944962 /nfs/dbraw/zinc/94/49/62/654944962.db2.gz CHPGTDSEHJSSQM-CQSZACIVSA-N 1 0 396.329 2.933 20 0 GFADRO C[NH+](C)C1CCN(S(=O)(=O)c2cc(Br)ccc2Cl)CC1 ZINC000067947239 654949670 /nfs/dbraw/zinc/94/96/70/654949670.db2.gz CKXGZBBUGORFDU-UHFFFAOYSA-N 1 0 381.723 2.817 20 0 GFADRO O=C(NC1CC[NH+](CCOc2ccc(F)cc2)CC1)[C@@H]1CSCCS1 ZINC000267890929 654950369 /nfs/dbraw/zinc/95/03/69/654950369.db2.gz UESAKMMFIROUBF-KRWDZBQOSA-N 1 0 384.542 2.634 20 0 GFADRO Cc1[nH]nc(C(=O)Nc2ccc(OCC[NH+](C)C)c(F)c2)c1Br ZINC000838285796 661035396 /nfs/dbraw/zinc/03/53/96/661035396.db2.gz PVMXEFQVRVHILZ-UHFFFAOYSA-N 1 0 385.237 2.812 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)N1CCCN(c2nccs2)CC1)c1cccs1 ZINC000068270617 654958973 /nfs/dbraw/zinc/95/89/73/654958973.db2.gz IHUKKLHDCCSSEX-CQSZACIVSA-N 1 0 379.555 2.729 20 0 GFADRO O=C(NCc1cc2c(c(Br)c1)OCO2)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000068364942 654960703 /nfs/dbraw/zinc/96/07/03/654960703.db2.gz FJSIEINIVZKPLD-ZIAGYGMSSA-N 1 0 396.285 2.604 20 0 GFADRO C[N@@H+]1CCC[C@@H](CNC(=O)Nc2cccc(F)c2I)C1 ZINC000133569234 654967814 /nfs/dbraw/zinc/96/78/14/654967814.db2.gz FOAGWMPTQFCGLB-JTQLQIEISA-N 1 0 391.228 2.894 20 0 GFADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)NCc2cccc(Br)c2)C1 ZINC000069104619 654973264 /nfs/dbraw/zinc/97/32/64/654973264.db2.gz IDEMPIGDGJTGGF-MRXNPFEDSA-N 1 0 384.318 2.605 20 0 GFADRO O=C(c1ccc(Br)c(F)c1)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000069746245 654986124 /nfs/dbraw/zinc/98/61/24/654986124.db2.gz IBEYARGWACKALR-CYBMUJFWSA-N 1 0 385.277 2.773 20 0 GFADRO C[C@@H]([NH2+]C[C@H]1CCS(=O)(=O)C1)c1ccc(OC(F)F)cc1OC(F)F ZINC000268775136 654986316 /nfs/dbraw/zinc/98/63/16/654986316.db2.gz VGCUAMYQHIUQFV-NXEZZACHSA-N 1 0 385.379 2.975 20 0 GFADRO CC(=O)N1CCN(CC[NH2+][C@H](C)c2cc(Cl)ccc2OC(F)F)CC1 ZINC000268792223 654986747 /nfs/dbraw/zinc/98/67/47/654986747.db2.gz DQSQVYZIFBJTHX-GFCCVEGCSA-N 1 0 375.847 2.756 20 0 GFADRO O=C(Nc1nc(C(F)(F)F)cs1)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000268941948 654992102 /nfs/dbraw/zinc/99/21/02/654992102.db2.gz GBGMLFZQTLYEAX-WDEREUQCSA-N 1 0 378.420 2.661 20 0 GFADRO C[NH2+]CCC1CCN(S(=O)(=O)c2ccc(C)cc2Br)CC1 ZINC000070189527 654992385 /nfs/dbraw/zinc/99/23/85/654992385.db2.gz MFESEDMLBXDSLB-UHFFFAOYSA-N 1 0 375.332 2.768 20 0 GFADRO C[N@H+](CCNC(=O)CNC(=O)c1cccc(Br)c1)C1CCCCC1 ZINC000070827897 654995852 /nfs/dbraw/zinc/99/58/52/654995852.db2.gz OHCDAAAQZRVZMF-UHFFFAOYSA-N 1 0 396.329 2.560 20 0 GFADRO CC(C)[NH+]1CCN(C2CCN(C(=O)NC[C@]3(C)CC3(Cl)Cl)CC2)CC1 ZINC000838665163 661052437 /nfs/dbraw/zinc/05/24/37/661052437.db2.gz VTFHVBHTXGDOKQ-KRWDZBQOSA-N 1 0 391.387 2.770 20 0 GFADRO C[C@@H]([NH3+])CCNC(=O)c1cccc(Br)c1I ZINC000269178050 655000641 /nfs/dbraw/zinc/00/06/41/655000641.db2.gz ZEOASGCHXCLDEY-SSDOTTSWSA-N 1 0 397.054 2.521 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)N1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000269233843 655002433 /nfs/dbraw/zinc/00/24/33/655002433.db2.gz WFZWSKBUVUSZDI-ZNMIVQPWSA-N 1 0 384.567 2.547 20 0 GFADRO COC(=O)[C@@H](NC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(Br)cc1 ZINC000269244943 655002873 /nfs/dbraw/zinc/00/28/73/655002873.db2.gz ZHPUKYCNOASXOM-OQALIBSHSA-N 1 0 395.297 2.700 20 0 GFADRO O=C(Cc1ccccc1I)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000269390785 655008130 /nfs/dbraw/zinc/00/81/30/655008130.db2.gz RJQOKICMXSGBTK-HUUCEWRRSA-N 1 0 384.261 2.577 20 0 GFADRO Cn1cc(Br)cc1C(=O)Nc1ccc(N2CC[C@H]([NH+](C)C)C2)cn1 ZINC000269397421 655008475 /nfs/dbraw/zinc/00/84/75/655008475.db2.gz BZQHZKHCQHWPFB-AWEZNQCLSA-N 1 0 392.301 2.575 20 0 GFADRO CC[NH+]1CCN([C@H](C)CNC(=O)c2cc(C)c(Br)cc2C)CC1 ZINC000092332136 655013842 /nfs/dbraw/zinc/01/38/42/655013842.db2.gz AELJYRIBQLVBGZ-OAHLLOKOSA-N 1 0 382.346 2.822 20 0 GFADRO Cc1ncsc1C[N@@H+]1CCC[C@H](CNS(=O)(=O)c2ccc(C)cc2)C1 ZINC000092964417 655016390 /nfs/dbraw/zinc/01/63/90/655016390.db2.gz SWIOAHLGBKZHLH-MRXNPFEDSA-N 1 0 379.551 2.950 20 0 GFADRO COC(=O)c1ccc(S(=O)(=O)N(C)C2CC[NH+](C(C)C)CC2)cc1Cl ZINC000269714048 655018344 /nfs/dbraw/zinc/01/83/44/655018344.db2.gz DHFUTNSXQPGHFD-UHFFFAOYSA-N 1 0 388.917 2.620 20 0 GFADRO CC[N@H+](Cc1cc(I)c(OC)c(OC)c1)CC(C)(C)O ZINC000093437129 655019800 /nfs/dbraw/zinc/01/98/00/655019800.db2.gz NODOBJFXORPRGA-UHFFFAOYSA-N 1 0 393.265 2.901 20 0 GFADRO NC(=O)C[C@H]1CCC[N@H+](Cc2nc(-c3ccc(Br)cc3)c[nH]2)C1 ZINC000093808973 655020993 /nfs/dbraw/zinc/02/09/93/655020993.db2.gz KCUCNRITCDRELQ-GFCCVEGCSA-N 1 0 377.286 2.927 20 0 GFADRO C[C@@H]1OCC[C@H]1S(=O)(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000135581321 655021355 /nfs/dbraw/zinc/02/13/55/655021355.db2.gz JMWDIYBYAJAALC-KBXCAEBGSA-N 1 0 386.945 2.649 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)c1cnn2cc(Br)cnc12)C1CCCCC1 ZINC000093963766 655025366 /nfs/dbraw/zinc/02/53/66/655025366.db2.gz VEAQUWWXDKETMQ-OAHLLOKOSA-N 1 0 394.317 2.732 20 0 GFADRO C[NH+](C)[C@H]1CC[C@H](NC(=O)c2cnn(-c3ccc(Br)cc3)c2)C1 ZINC000093986457 655025600 /nfs/dbraw/zinc/02/56/00/655025600.db2.gz NQKFLFANSNBWBS-HOCLYGCPSA-N 1 0 377.286 2.847 20 0 GFADRO O=S(=O)(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1cc(F)cc(Cl)c1 ZINC000270156151 655035383 /nfs/dbraw/zinc/03/53/83/655035383.db2.gz ITNDRWGGKMOWFR-SJORKVTESA-N 1 0 390.908 2.525 20 0 GFADRO Cc1cccc(C(=O)Nc2ccc(=O)n(CC[NH+](C)C)c2)c1Br ZINC000270241670 655038205 /nfs/dbraw/zinc/03/82/05/655038205.db2.gz VVWIEYGHLFBOIM-UHFFFAOYSA-N 1 0 378.270 2.733 20 0 GFADRO O=C(Cc1ccccc1I)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000137503384 655040562 /nfs/dbraw/zinc/04/05/62/655040562.db2.gz VXXNDSISANPPMW-AWEZNQCLSA-N 1 0 384.261 2.530 20 0 GFADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)NCCOc3ccc(Br)cc3)CC[C@@H]21 ZINC000137902148 655042070 /nfs/dbraw/zinc/04/20/70/655042070.db2.gz IODPIQQBNDGLNM-PBHICJAKSA-N 1 0 396.329 2.954 20 0 GFADRO CC(C)[NH+]1CCN(C2CCN(S(=O)(=O)c3ccccc3Cl)CC2)CC1 ZINC000270467005 655045797 /nfs/dbraw/zinc/04/57/97/655045797.db2.gz GRYVCDLASSVIAW-UHFFFAOYSA-N 1 0 385.961 2.519 20 0 GFADRO CCOC(=O)CC(C)(C)C[NH2+]CCNC(=O)c1ccc(Br)cc1 ZINC000838909148 661063188 /nfs/dbraw/zinc/06/31/88/661063188.db2.gz UCKGDSBIVQIWRQ-UHFFFAOYSA-N 1 0 385.302 2.748 20 0 GFADRO CC[N@H+](CCNC(=O)/C=C/c1ccc(I)o1)C(C)C ZINC000102496414 655055630 /nfs/dbraw/zinc/05/56/30/655055630.db2.gz SIXRVRLONMHONT-SOFGYWHQSA-N 1 0 376.238 2.744 20 0 GFADRO C[C@@H](NC(=O)[C@H]1CSCCS1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000102609486 655056225 /nfs/dbraw/zinc/05/62/25/655056225.db2.gz BDMRTPVOVCWFKM-CXAGYDPISA-N 1 0 383.558 2.603 20 0 GFADRO CC(C)[N@H+](C)CCNC(=O)N[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000103313613 655071017 /nfs/dbraw/zinc/07/10/17/655071017.db2.gz VPOHCJZSZJGVPT-HNNXBMFYSA-N 1 0 383.334 2.667 20 0 GFADRO CCc1nc(C(=O)NC[C@@H]2CC[N@H+](C)C2)nn1-c1c(Cl)cccc1Cl ZINC000104185677 655079309 /nfs/dbraw/zinc/07/93/09/655079309.db2.gz IBADEDJMPZBZMS-NSHDSACASA-N 1 0 382.295 2.818 20 0 GFADRO C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C[C@@H]1CSCCS1 ZINC000154965646 655079551 /nfs/dbraw/zinc/07/95/51/655079551.db2.gz VGXDNXZRVSMVNU-FUHWJXTLSA-N 1 0 379.595 2.552 20 0 GFADRO C[C@@H](NC(=O)COc1ccc(C=O)cc1Br)C(C)(C)C[NH+](C)C ZINC000155079287 655080863 /nfs/dbraw/zinc/08/08/63/655080863.db2.gz USEOFECRRJUTBF-GFCCVEGCSA-N 1 0 385.302 2.733 20 0 GFADRO Cn1cc(N2CC[C@@H]([NH2+][C@H]3CCc4c3cc(Br)cc4F)C2=O)cn1 ZINC000271456857 655081920 /nfs/dbraw/zinc/08/19/20/655081920.db2.gz GWGIYQABYOOCOM-JKSUJKDBSA-N 1 0 393.260 2.704 20 0 GFADRO CN(CCO)S(=O)(=O)c1ccccc1C[NH2+][C@H]1CCCc2sccc21 ZINC000271458713 655082134 /nfs/dbraw/zinc/08/21/34/655082134.db2.gz JSZFNXXNOIUIKW-INIZCTEOSA-N 1 0 380.535 2.528 20 0 GFADRO COC(=O)CS(=O)(=O)Cc1ccc(C[NH2+][C@H](C)CSC(C)(C)C)cc1 ZINC000271481867 655082969 /nfs/dbraw/zinc/08/29/69/655082969.db2.gz KHGVBCNTLJONLX-CQSZACIVSA-N 1 0 387.567 2.784 20 0 GFADRO Cc1ncc([C@H](C)[NH2+]CCNC(=O)c2cccc(Br)c2)c(C)n1 ZINC000271548941 655084983 /nfs/dbraw/zinc/08/49/83/655084983.db2.gz ZSXIWBLPUGROQX-NSHDSACASA-N 1 0 377.286 2.937 20 0 GFADRO COc1c(Br)cc(Cl)cc1S(=O)(=O)NCC[N@H+](C)C(C)C ZINC000155625364 655086189 /nfs/dbraw/zinc/08/61/89/655086189.db2.gz IRJIYIODBLWLAI-UHFFFAOYSA-N 1 0 399.738 2.730 20 0 GFADRO CC[N@@H+]1CCC[C@@H](CNC(=O)NCc2ccc(OC)c(Br)c2)C1 ZINC000105223347 655089766 /nfs/dbraw/zinc/08/97/66/655089766.db2.gz AQUXHYYWDUULKA-AWEZNQCLSA-N 1 0 384.318 2.989 20 0 GFADRO C[C@H]([NH2+]CCc1ccc(Br)cc1)c1cccc(S(N)(=O)=O)c1 ZINC000271757935 655093906 /nfs/dbraw/zinc/09/39/06/655093906.db2.gz SLKHRIDOGFJTAA-LBPRGKRZSA-N 1 0 383.311 2.990 20 0 GFADRO COc1c(Cl)cc(NC(=O)N2CC[N@H+](C[C@@H](C)O)[C@@H](C)C2)cc1Cl ZINC000271819878 655095460 /nfs/dbraw/zinc/09/54/60/655095460.db2.gz PWNFPTXQYBFIBJ-WDEREUQCSA-N 1 0 376.284 2.921 20 0 GFADRO C[C@H]([NH2+]CC(=O)Nc1ccc(Br)cn1)c1ccc([S@](C)=O)cc1 ZINC000271817417 655095579 /nfs/dbraw/zinc/09/55/79/655095579.db2.gz OHRYJTNIVFENIH-RULNZOCKSA-N 1 0 396.310 2.871 20 0 GFADRO CCC[NH+]1CCC(CNS(=O)(=O)c2ccc(Cl)c(C(=O)OC)c2)CC1 ZINC000156816896 655096136 /nfs/dbraw/zinc/09/61/36/655096136.db2.gz FMUZQYVOJZWAPE-UHFFFAOYSA-N 1 0 388.917 2.527 20 0 GFADRO C[C@H]([NH2+]C[C@@H](c1cccs1)N1CCCC1)c1cccc(S(N)(=O)=O)c1 ZINC000271833494 655096205 /nfs/dbraw/zinc/09/62/05/655096205.db2.gz JQELGNNAHOHYCD-YOEHRIQHSA-N 1 0 379.551 2.883 20 0 GFADRO NS(=O)(=O)C[C@@H]1CCC[N@H+](CCSc2ccnc3cc(Cl)ccc32)C1 ZINC000272201534 655105501 /nfs/dbraw/zinc/10/55/01/655105501.db2.gz AQHUAOYQQPFZTN-CYBMUJFWSA-N 1 0 399.969 2.981 20 0 GFADRO COc1cc([C@@H](C)NC[C@H]2CCC[N@H+](C)C2)ccc1S(=O)(=O)C(F)F ZINC000158193973 655105524 /nfs/dbraw/zinc/10/55/24/655105524.db2.gz YKHZRBQWCYWDPI-CHWSQXEVSA-N 1 0 376.469 2.684 20 0 GFADRO Cc1c(C(=O)N2CC[C@@H]([C@@H](C)[NH3+])C2)cnn1-c1cccc(Br)c1 ZINC000272221852 655106332 /nfs/dbraw/zinc/10/63/32/655106332.db2.gz ISGQWTGZPHMZLM-DGCLKSJQSA-N 1 0 377.286 2.753 20 0 GFADRO CC[N@@H+]1CCCN(C[C@H](O)COc2ccc(Cl)cc2Br)CC1 ZINC000106385403 655107571 /nfs/dbraw/zinc/10/75/71/655107571.db2.gz KTTYQYFJZPKPRQ-AWEZNQCLSA-N 1 0 391.737 2.870 20 0 GFADRO Cc1ccc(-n2nc(Br)cc2C(=O)N2CC[C@@H]([C@H](C)[NH3+])C2)cc1 ZINC000272296416 655108209 /nfs/dbraw/zinc/10/82/09/655108209.db2.gz PZZXXBITGPWHQC-QWHCGFSZSA-N 1 0 377.286 2.753 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)c1cnn(-c2cccc(Br)c2)c1)C1CC1 ZINC000106747308 655110542 /nfs/dbraw/zinc/11/05/42/655110542.db2.gz SXMVEWHUGDMAKF-MRXNPFEDSA-N 1 0 377.286 2.705 20 0 GFADRO CCOCC[NH+]1CCN(Cn2ccc(-c3ccc(Br)cc3)n2)CC1 ZINC000159229600 655112463 /nfs/dbraw/zinc/11/24/63/655112463.db2.gz PQDQYXSXHQCZKV-UHFFFAOYSA-N 1 0 393.329 2.924 20 0 GFADRO COc1cc([C@@H](C)[NH2+]CCOCC(F)(F)F)ccc1S(=O)(=O)C(F)F ZINC000159361151 655113722 /nfs/dbraw/zinc/11/37/22/655113722.db2.gz OZJWHYCPDGQVMA-SECBINFHSA-N 1 0 391.358 2.921 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CNC(=O)c1cnn(-c2cccc(Br)c2)c1 ZINC000106902906 655114278 /nfs/dbraw/zinc/11/42/78/655114278.db2.gz YCFRRGPZUGTGLX-INIZCTEOSA-N 1 0 377.286 2.849 20 0 GFADRO COc1ccsc1S(=O)(=O)N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272485853 655114458 /nfs/dbraw/zinc/11/44/58/655114458.db2.gz VMFLVFKLZUXPAR-HOCLYGCPSA-N 1 0 380.535 2.946 20 0 GFADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)Nc3ccc(F)cc3Br)C2)CC1 ZINC000106941011 655115571 /nfs/dbraw/zinc/11/55/71/655115571.db2.gz DWQDSOWRJRJXBR-CQSZACIVSA-N 1 0 399.308 2.832 20 0 GFADRO Cc1ccc(NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)c(Br)c1 ZINC000106962669 655115820 /nfs/dbraw/zinc/11/58/20/655115820.db2.gz JVHKCTHDRBSLMP-ZDUSSCGKSA-N 1 0 394.313 2.829 20 0 GFADRO C[NH+]1CCC(C)(CNC(=O)C(=O)Nc2nc(-c3cccs3)cs2)CC1 ZINC000272640721 655117838 /nfs/dbraw/zinc/11/78/38/655117838.db2.gz FTMFQUQOFRRRMV-UHFFFAOYSA-N 1 0 378.523 2.658 20 0 GFADRO O=C(NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1)N1CCSCC1 ZINC000107337416 655119673 /nfs/dbraw/zinc/11/96/73/655119673.db2.gz BJUBHXPQHQHUBZ-UHFFFAOYSA-N 1 0 382.961 2.611 20 0 GFADRO C[NH+](C)CCNC(=O)C1CCN(C(=O)c2sccc2SC(F)F)CC1 ZINC000107358980 655120411 /nfs/dbraw/zinc/12/04/11/655120411.db2.gz LZPRNMUJTOXWGP-UHFFFAOYSA-N 1 0 391.509 2.593 20 0 GFADRO C[C@H]1CCC[N@H+](CCNC(=O)C[C@H]2Sc3ccc(Cl)cc3NC2=O)C1 ZINC000107632589 655123178 /nfs/dbraw/zinc/12/31/78/655123178.db2.gz CAMXNIMUMDBXBK-BLLLJJGKSA-N 1 0 381.929 2.991 20 0 GFADRO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000161450824 655127287 /nfs/dbraw/zinc/12/72/87/655127287.db2.gz OQMOTXPTUKZNHV-VXGBXAGGSA-N 1 0 379.254 2.864 20 0 GFADRO CCc1c(C(=O)NC[C@H]2CC[NH2+]C2)cnn1-c1ccc(Br)cc1 ZINC000273009134 655127607 /nfs/dbraw/zinc/12/76/07/655127607.db2.gz IWSRFTGETZJUSS-LBPRGKRZSA-N 1 0 377.286 2.537 20 0 GFADRO C[C@@]1(C(=O)NCc2nnc3c(Cl)cc(C(F)(F)F)cn23)CCCC[NH2+]1 ZINC000273009027 655127612 /nfs/dbraw/zinc/12/76/12/655127612.db2.gz UVWHMUMMTSCJBR-AWEZNQCLSA-N 1 0 375.782 2.550 20 0 GFADRO C[C@]1(C(=O)NCc2nnc3c(Cl)cc(C(F)(F)F)cn23)CCCC[NH2+]1 ZINC000273009035 655127647 /nfs/dbraw/zinc/12/76/47/655127647.db2.gz UVWHMUMMTSCJBR-CQSZACIVSA-N 1 0 375.782 2.550 20 0 GFADRO C[C@]1([NH2+]CCS(=O)(=O)c2cccc(Br)c2)CCO[C@H]1C1CC1 ZINC000273049059 655128552 /nfs/dbraw/zinc/12/85/52/655128552.db2.gz KDLRDMDQVLSLTI-HOTGVXAUSA-N 1 0 388.327 2.770 20 0 GFADRO OC[C@H]([NH2+]C[C@H](O)COc1ccccc1F)c1ccc(Br)cc1 ZINC000273151628 655132607 /nfs/dbraw/zinc/13/26/07/655132607.db2.gz XGCYDNPWKNOHJD-HOCLYGCPSA-N 1 0 384.245 2.651 20 0 GFADRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)CS(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000108610442 655135805 /nfs/dbraw/zinc/13/58/05/655135805.db2.gz ABZHSFHZRWSPKF-HUUCEWRRSA-N 1 0 386.945 2.598 20 0 GFADRO Cc1nc2c(s1)[C@@H]([NH2+]C1CCN(S(=O)(=O)C(F)(F)F)CC1)CCC2 ZINC000168092955 655143089 /nfs/dbraw/zinc/14/30/89/655143089.db2.gz NJBLQYPGLVCEID-LBPRGKRZSA-N 1 0 383.461 2.733 20 0 GFADRO C[C@H](C1CC[NH+](C)CC1)N(C)S(=O)(=O)Cc1ccc(Br)cc1 ZINC000273523206 655146311 /nfs/dbraw/zinc/14/63/11/655146311.db2.gz OTDNPFYHTGCCIU-CYBMUJFWSA-N 1 0 389.359 2.941 20 0 GFADRO C[C@@H](CNC(=O)C(=O)Nc1cc(Cl)c(N)c(Cl)c1)C[NH+]1CCCCC1 ZINC000839470059 661085659 /nfs/dbraw/zinc/08/56/59/661085659.db2.gz PSUXYCHSLBIFFF-NSHDSACASA-N 1 0 387.311 2.752 20 0 GFADRO C[NH+](C)CCC1CCN(S(=O)(=O)c2ccc3nc(Cl)cnc3c2)CC1 ZINC000273530126 655146825 /nfs/dbraw/zinc/14/68/25/655146825.db2.gz QOOIRQRYNSZPNH-UHFFFAOYSA-N 1 0 382.917 2.636 20 0 GFADRO C[C@H](NC(=O)c1cnn(C)c1Br)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000273604925 655150418 /nfs/dbraw/zinc/15/04/18/655150418.db2.gz KHXJZYFFVPGXCW-DZGCQCFKSA-N 1 0 391.313 2.823 20 0 GFADRO CC[NH+]1CCN(CCCNC(=O)[C@H]2C[C@@H]2c2ccc(Br)cc2)CC1 ZINC000109827645 655152857 /nfs/dbraw/zinc/15/28/57/655152857.db2.gz IXNRBXWMOBCMNF-MSOLQXFVSA-N 1 0 394.357 2.696 20 0 GFADRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(OC)c(O)c2Br)[C@@]12CCCO2 ZINC000273685779 655154122 /nfs/dbraw/zinc/15/41/22/655154122.db2.gz HBFXBKWLIAEDKO-CPUCHLNUSA-N 1 0 386.286 2.980 20 0 GFADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)Nc1ccc(SC(F)(F)F)nc1 ZINC000839180554 661075397 /nfs/dbraw/zinc/07/53/97/661075397.db2.gz UULHXWZSPRTKSI-VXGBXAGGSA-N 1 0 376.404 2.678 20 0 GFADRO C[C@H]1C[C@@H](N(C)S(=O)(=O)c2cc(Br)ccc2F)CC[N@@H+]1C ZINC000173274409 655166592 /nfs/dbraw/zinc/16/65/92/655166592.db2.gz LGMBODAUFKIKIX-JQWIXIFHSA-N 1 0 379.295 2.691 20 0 GFADRO CS[C@@H]1CN(CC(=O)Nc2cccc3c2N=S=N3)C[C@@H]1[NH+]1CCCC1 ZINC000273977319 655166968 /nfs/dbraw/zinc/16/69/68/655166968.db2.gz HHFJUSBQUNGUGF-LSDHHAIUSA-N 1 0 377.539 2.863 20 0 GFADRO CC[C@H](C)C[N@H+](C)[C@@H](C)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000111253955 655167299 /nfs/dbraw/zinc/16/72/99/655167299.db2.gz KVJGCHOBQQDBGH-STQMWFEESA-N 1 0 389.949 2.895 20 0 GFADRO CS[C@@H]1CN(CC(=O)N2CCSc3ccccc32)C[C@@H]1[NH+]1CCCC1 ZINC000274066391 655171431 /nfs/dbraw/zinc/17/14/31/655171431.db2.gz PIVCVEIJUGEIBD-FUHWJXTLSA-N 1 0 377.579 2.637 20 0 GFADRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)NCC(=O)Nc1ccc(Br)cc1 ZINC000111510257 655173570 /nfs/dbraw/zinc/17/35/70/655173570.db2.gz GTTRUPCOODFTNR-OAHLLOKOSA-N 1 0 397.317 2.561 20 0 GFADRO COc1ccc(NC(=O)NCCCC[NH+]2CCN(C)CC2)c(Br)c1 ZINC000111749193 655176934 /nfs/dbraw/zinc/17/69/34/655176934.db2.gz WBLDWENJXYABNP-UHFFFAOYSA-N 1 0 399.333 2.607 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)c2c[nH]c(=O)c(Br)c2)C1 ZINC000173752037 655179643 /nfs/dbraw/zinc/17/96/43/655179643.db2.gz VAAMESZNVXQRCO-KGLIPLIRSA-N 1 0 396.329 2.864 20 0 GFADRO CC[NH+](CC)C[C@H]1CCN(S(=O)(=O)c2cc(Br)ccc2F)C1 ZINC000173922497 655185872 /nfs/dbraw/zinc/18/58/72/655185872.db2.gz LUFVAMMWUJFJKU-GFCCVEGCSA-N 1 0 393.322 2.941 20 0 GFADRO C[N@H+](C[C@H](O)COCc1ccco1)C[C@@H](O)c1cccc(Br)c1 ZINC000839634272 661096928 /nfs/dbraw/zinc/09/69/28/661096928.db2.gz BLXKPGHBGXXVAZ-DOTOQJQBSA-N 1 0 384.270 2.585 20 0 GFADRO C[C@@H]1CC[C@H](C)C[N@H+]1CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000174012163 655190155 /nfs/dbraw/zinc/19/01/55/655190155.db2.gz HTXINZVBEXGAJV-QWHCGFSZSA-N 1 0 387.933 2.649 20 0 GFADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCc2ccc(Br)cc21 ZINC000112455411 655191331 /nfs/dbraw/zinc/19/13/31/655191331.db2.gz ZKLZDBIKJKHKHD-OAHLLOKOSA-N 1 0 382.302 2.632 20 0 GFADRO CN(C)C(=O)[C@H]1CC[N@H+](C[C@@](C)(O)c2ccc(Br)cc2Cl)C1 ZINC000839636395 661097342 /nfs/dbraw/zinc/09/73/42/661097342.db2.gz QSNAGYYJVWQDTD-MEDUHNTESA-N 1 0 389.721 2.720 20 0 GFADRO COC(=O)C1=C(C)O[C@H](C[N@H+](C)C[C@@H](O)c2cccc(Br)c2)C1 ZINC000839637605 661097444 /nfs/dbraw/zinc/09/74/44/661097444.db2.gz BNLZCHFJVXNURW-GOEBONIOSA-N 1 0 384.270 2.650 20 0 GFADRO NC(=O)[C@]1(c2ccccc2)CC[N@H+](C[C@H](O)c2ccccc2Br)C1 ZINC000839640352 661097995 /nfs/dbraw/zinc/09/79/95/661097995.db2.gz JVLAOFSNQWQCOM-PKOBYXMFSA-N 1 0 389.293 2.612 20 0 GFADRO O=S(=O)(CC[NH2+]C1(CO)C2CC3CC(C2)CC1C3)c1ccc(Cl)cc1 ZINC000839652322 661098536 /nfs/dbraw/zinc/09/85/36/661098536.db2.gz NJTZRSQQRUUPFI-UHFFFAOYSA-N 1 0 383.941 2.891 20 0 GFADRO CC1CC[NH+](C[C@H](O)CNc2ncnc3ccc(Br)cc32)CC1 ZINC000112967190 655200547 /nfs/dbraw/zinc/20/05/47/655200547.db2.gz YOABAZHUDWUXPH-CQSZACIVSA-N 1 0 379.302 2.897 20 0 GFADRO OCC[N@@H+]1CCCN(c2nn3cc(-c4ccc(Cl)cc4)nc3s2)CC1 ZINC000274988237 655210230 /nfs/dbraw/zinc/21/02/30/655210230.db2.gz APCNVICSXXLVGF-UHFFFAOYSA-N 1 0 377.901 2.616 20 0 GFADRO O=S(=O)(N1CCC(C[NH2+][C@@H]2CCc3ccc(F)cc32)CC1)C(F)(F)F ZINC000175009667 655212550 /nfs/dbraw/zinc/21/25/50/655212550.db2.gz PJAFCISSBRNFOE-OAHLLOKOSA-N 1 0 380.407 2.964 20 0 GFADRO C[NH+](C)[C@H]1CCC[C@@H](NS(=O)(=O)c2cc(Br)cnc2Cl)C1 ZINC000175085413 655213742 /nfs/dbraw/zinc/21/37/42/655213742.db2.gz SFRLJHPZMFKEOP-MNOVXSKESA-N 1 0 396.738 2.649 20 0 GFADRO CC(C)CN(CC[NH+](C)C)C(=O)C(=O)Nc1cc(Cl)c(N)c(Cl)c1 ZINC000839519987 661089874 /nfs/dbraw/zinc/08/98/74/661089874.db2.gz KGONPPZSPOLNJZ-UHFFFAOYSA-N 1 0 375.300 2.560 20 0 GFADRO C[C@H]1C[C@@H](N(C)CCS(=O)(=O)c2cccc(Br)c2)CC[N@@H+]1C ZINC000175716654 655225866 /nfs/dbraw/zinc/22/58/66/655225866.db2.gz VYPZPPQSTZDQPI-ZFWWWQNUSA-N 1 0 389.359 2.637 20 0 GFADRO CCS[C@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1ccccc1SCC(N)=O ZINC000275326820 655229670 /nfs/dbraw/zinc/22/96/70/655229670.db2.gz UYXJUZIVHZUSKV-HIFRSBDPSA-N 1 0 381.567 2.856 20 0 GFADRO C[C@H]([NH2+]CCCNc1ccc(C(F)(F)F)cn1)C1CCS(=O)(=O)CC1 ZINC000275360461 655231898 /nfs/dbraw/zinc/23/18/98/655231898.db2.gz SQVIESLPPILFMY-LBPRGKRZSA-N 1 0 379.448 2.705 20 0 GFADRO CC(C)[NH+]1CCC(NC(=O)C(=O)Nc2c(F)cccc2Br)CC1 ZINC000176070768 655233749 /nfs/dbraw/zinc/23/37/49/655233749.db2.gz BULDXWSCORPSEJ-UHFFFAOYSA-N 1 0 386.265 2.516 20 0 GFADRO CSc1nnc(CNC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)s1 ZINC000275455294 655236899 /nfs/dbraw/zinc/23/68/99/655236899.db2.gz UCCPTYMEIZTSPF-UHFFFAOYSA-N 1 0 377.539 2.855 20 0 GFADRO CN(CC[NH+](C)C)C(=O)NCC1(c2cccc(Br)c2)CCOCC1 ZINC000176247395 655241424 /nfs/dbraw/zinc/24/14/24/655241424.db2.gz DQFFKKFHDWJSLQ-UHFFFAOYSA-N 1 0 398.345 2.700 20 0 GFADRO COc1ccc(CNC(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)cc1Br ZINC000115816833 655242516 /nfs/dbraw/zinc/24/25/16/655242516.db2.gz XPAVHLMNNOGEDE-CQSZACIVSA-N 1 0 384.318 2.941 20 0 GFADRO C[NH+](C)CCc1ccccc1NC(=O)CNC(=O)c1ccc(Br)o1 ZINC000275785910 655251022 /nfs/dbraw/zinc/25/10/22/655251022.db2.gz GWXIJGVVYCXWFC-UHFFFAOYSA-N 1 0 394.269 2.515 20 0 GFADRO COCCOC1CC[NH+](Cn2ccc(=O)c3cccc(Br)c32)CC1 ZINC000116868724 655255117 /nfs/dbraw/zinc/25/51/17/655255117.db2.gz VRHYZTDGWYCNNK-UHFFFAOYSA-N 1 0 395.297 2.849 20 0 GFADRO CCO[C@@H](CC[NH+](C)C)CNC(=O)C1(c2cccc(Br)c2)CC1 ZINC000176885560 655258959 /nfs/dbraw/zinc/25/89/59/655258959.db2.gz ILFUCAUXXLKDSS-INIZCTEOSA-N 1 0 383.330 2.954 20 0 GFADRO COc1c(Cl)cc(NC(=O)C(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1Cl ZINC000276197421 655266997 /nfs/dbraw/zinc/26/69/97/655266997.db2.gz YVFFZVQZCDXADW-JQWIXIFHSA-N 1 0 388.295 2.882 20 0 GFADRO C[NH+](C)C1CCN(CCNC(=O)CSc2nc3ccccc3s2)CC1 ZINC000177113417 655269056 /nfs/dbraw/zinc/26/90/56/655269056.db2.gz LZDHUFQHPJKFRG-UHFFFAOYSA-N 1 0 378.567 2.531 20 0 GFADRO C[NH+](C)C[C@H]1CCN(S(=O)(=O)c2cc(Br)ccc2Cl)C1 ZINC000117923655 655269785 /nfs/dbraw/zinc/26/97/85/655269785.db2.gz YVNNQBMCXYHMCL-SNVBAGLBSA-N 1 0 381.723 2.675 20 0 GFADRO C[C@H](C(=O)NCCN1CCC([NH+](C)C)CC1)c1ccc(Br)s1 ZINC000177141641 655270062 /nfs/dbraw/zinc/27/00/62/655270062.db2.gz SVCIRFDVATVKDA-LBPRGKRZSA-N 1 0 388.375 2.756 20 0 GFADRO CCN(CCC[NH+](C)C)C(=O)C(=O)Nc1cccc(C2SCCS2)c1 ZINC000276290910 655270242 /nfs/dbraw/zinc/27/02/42/655270242.db2.gz RLCLMLZIABAWPR-UHFFFAOYSA-N 1 0 381.567 2.904 20 0 GFADRO COC[C@H](O)C[NH2+]Cc1c(C)nn(-c2cccc(C(F)(F)F)c2)c1Cl ZINC000117946593 655270720 /nfs/dbraw/zinc/27/07/20/655270720.db2.gz JKEMXJBFCHJHMK-CYBMUJFWSA-N 1 0 377.794 2.950 20 0 GFADRO C[NH+]1CCC(NC(=O)c2nn(-c3ccc(F)cc3)cc2Br)CC1 ZINC000117969658 655270956 /nfs/dbraw/zinc/27/09/56/655270956.db2.gz KSWOIJVNRBLUJL-UHFFFAOYSA-N 1 0 381.249 2.598 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(Br)cc1Cl ZINC000118096052 655271476 /nfs/dbraw/zinc/27/14/76/655271476.db2.gz QNXJVIRLSXOMQZ-LLVKDONJSA-N 1 0 388.693 2.642 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)C(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000118112324 655271867 /nfs/dbraw/zinc/27/18/67/655271867.db2.gz PYCZKJOFAQRIHD-AWEZNQCLSA-N 1 0 396.329 2.933 20 0 GFADRO CC[N@H+](CCNC(=O)C(=O)Nc1ccc(Br)cc1Cl)C(C)C ZINC000118119008 655272181 /nfs/dbraw/zinc/27/21/81/655272181.db2.gz QVWGEEBSKPIVPO-UHFFFAOYSA-N 1 0 390.709 2.888 20 0 GFADRO C[C@H](CNC(=O)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[N@H+](C)C1CC1 ZINC000118131012 655272369 /nfs/dbraw/zinc/27/23/69/655272369.db2.gz QECSOVFXVCIVHO-SECBINFHSA-N 1 0 377.794 2.896 20 0 GFADRO COC(=O)[C@@]1(C)CC[N@H+](CCC(=O)Nc2ccc(Br)cc2F)C1 ZINC000177430729 655276696 /nfs/dbraw/zinc/27/66/96/655276696.db2.gz XKIAUTVFOYMKMM-INIZCTEOSA-N 1 0 387.249 2.802 20 0 GFADRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)c2cc(Br)c3c(c2)OCCO3)C1 ZINC000177523088 655279458 /nfs/dbraw/zinc/27/94/58/655279458.db2.gz NYORXKSTDGFALE-STQMWFEESA-N 1 0 383.286 2.823 20 0 GFADRO C[C@@H]([NH2+]C1CCN(Cc2ccccc2Br)CC1)c1ncnn1C ZINC000276611706 655280943 /nfs/dbraw/zinc/28/09/43/655280943.db2.gz LJIRZOIUXUESAT-CYBMUJFWSA-N 1 0 378.318 2.893 20 0 GFADRO CCO[C@@H](C)C(=O)NC1CC[NH+](CCOc2ccc(Br)cc2)CC1 ZINC000118746998 655281601 /nfs/dbraw/zinc/28/16/01/655281601.db2.gz RJDSWVLHUCVCJA-AWEZNQCLSA-N 1 0 399.329 2.834 20 0 GFADRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)c2cc(=O)[nH]c3ccc(Br)cc32)C1 ZINC000177573103 655281970 /nfs/dbraw/zinc/28/19/70/655281970.db2.gz RJUDWYPDJFVHCO-STQMWFEESA-N 1 0 392.297 2.893 20 0 GFADRO CC(C)C[NH+]1CCC(NC(=O)N[C@H](CO)c2cccc(Br)c2)CC1 ZINC000177913953 655291222 /nfs/dbraw/zinc/29/12/22/655291222.db2.gz SUOWMNUUSJRMMM-QGZVFWFLSA-N 1 0 398.345 2.902 20 0 GFADRO C[C@@H]([NH3+])[C@@H](C)C(=O)N1CCC(C(=O)Nc2cccc(Br)c2)CC1 ZINC000276950883 655294635 /nfs/dbraw/zinc/29/46/35/655294635.db2.gz DSCORFTZJZVEPV-VXGBXAGGSA-N 1 0 382.302 2.610 20 0 GFADRO C[NH+](C)CC(=O)N1CCN(C(=O)CCCc2cc(Cl)sc2Cl)CC1 ZINC000119272804 655296447 /nfs/dbraw/zinc/29/64/47/655296447.db2.gz BPQQULRYTDLKIS-UHFFFAOYSA-N 1 0 392.352 2.610 20 0 GFADRO O=C(NCCOc1cccc(Br)c1)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000178061295 655296706 /nfs/dbraw/zinc/29/67/06/655296706.db2.gz VLGVYEMGPZBGCA-KRWDZBQOSA-N 1 0 375.266 2.659 20 0 GFADRO CCOC(=O)N1CCC([NH2+]C[C@H](CO)Cc2ccccc2Br)CC1 ZINC000277012275 655298093 /nfs/dbraw/zinc/29/80/93/655298093.db2.gz LKYHTWXECDKANY-CQSZACIVSA-N 1 0 399.329 2.811 20 0 GFADRO C[C@@H](Cn1cc(Br)cn1)[NH2+][C@@H]1CCCN(c2ccccc2)C1=O ZINC000178251255 655300067 /nfs/dbraw/zinc/30/00/67/655300067.db2.gz IEYBHSVWFYLAOP-XJKSGUPXSA-N 1 0 377.286 2.819 20 0 GFADRO C[C@H]([NH2+]CC1CCN(S(C)(=O)=O)CC1)c1ccc(Br)s1 ZINC000178262228 655301010 /nfs/dbraw/zinc/30/10/10/655301010.db2.gz UWHYUHUUMFAKSI-JTQLQIEISA-N 1 0 381.361 2.833 20 0 GFADRO Cc1c(Br)cccc1NC(=O)C(=O)N1CCC[C@H]([NH+](C)C)CC1 ZINC000277090985 655302864 /nfs/dbraw/zinc/30/28/64/655302864.db2.gz KEVOSFLOJIKDQI-ZDUSSCGKSA-N 1 0 382.302 2.639 20 0 GFADRO C[C@H](C(=O)NCCS(=O)(=O)c1ccc(Cl)cc1)[C@@H]([NH3+])c1ccccc1 ZINC000178411328 655303268 /nfs/dbraw/zinc/30/32/68/655303268.db2.gz KWCOPIAHFIXNMH-SUMWQHHRSA-N 1 0 380.897 2.566 20 0 GFADRO CC[C@@]1(C(=O)NCCC(=O)Nc2cc(Br)ccc2C)CC[NH2+]C1 ZINC000119417012 655303332 /nfs/dbraw/zinc/30/33/32/655303332.db2.gz ZLQUYIMOEKEUIS-QGZVFWFLSA-N 1 0 382.302 2.592 20 0 GFADRO Cc1csc(=O)n1CC[NH2+][C@@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000277128194 655304455 /nfs/dbraw/zinc/30/44/55/655304455.db2.gz YHUGTGVQPDTAPW-GDBMZVCRSA-N 1 0 383.876 2.572 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)Cc1csc(NC(=O)c2cccs2)n1 ZINC000119701018 655311742 /nfs/dbraw/zinc/31/17/42/655311742.db2.gz KMTHXVJGGZBXDM-CYBMUJFWSA-N 1 0 378.523 2.600 20 0 GFADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[C@H](O)c2cc(Cl)cc(Cl)c2)C1 ZINC000179618719 655315189 /nfs/dbraw/zinc/31/51/89/655315189.db2.gz VYDPPZSRSNQMOM-SJORKVTESA-N 1 0 389.323 2.890 20 0 GFADRO C[C@@H](CNS(=O)(=O)Cc1ccc(Br)cc1)C[NH+]1CCCCC1 ZINC000119808949 655316096 /nfs/dbraw/zinc/31/60/96/655316096.db2.gz WPVMYQMTTLXGOL-AWEZNQCLSA-N 1 0 389.359 2.991 20 0 GFADRO C[NH+]1CCN(c2ccc(NC(=O)c3cccc(Br)n3)cc2)CC1 ZINC000119837894 655317627 /nfs/dbraw/zinc/31/76/27/655317627.db2.gz LYAKGKJHTWZKTE-UHFFFAOYSA-N 1 0 375.270 2.848 20 0 GFADRO C[C@H](Cn1cc(Br)cn1)[NH2+][C@@H]1CCN(c2ncccc2Cl)C1 ZINC000119975410 655323587 /nfs/dbraw/zinc/32/35/87/655323587.db2.gz MCEZGRKCFGPGNA-DGCLKSJQSA-N 1 0 384.709 2.951 20 0 GFADRO C[NH+](C)CCN(C1CCCC1)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F ZINC000180424726 655326422 /nfs/dbraw/zinc/32/64/22/655326422.db2.gz OOFTVMQWJQNYEU-UHFFFAOYSA-N 1 0 386.386 2.877 20 0 GFADRO O=C(CCC[S@@](=O)c1ccc(Br)cc1)NNc1cc[nH+]cc1 ZINC000180501310 655327479 /nfs/dbraw/zinc/32/74/79/655327479.db2.gz HIFZFXMTIOLXBU-JOCHJYFZSA-N 1 0 382.283 2.875 20 0 GFADRO CC(C)C[N@@H+]1CCC[C@H](CNS(=O)(=O)c2ccccc2OC(F)F)C1 ZINC000120318406 655334991 /nfs/dbraw/zinc/33/49/91/655334991.db2.gz RYQFXWNSINXTOF-CQSZACIVSA-N 1 0 376.469 2.934 20 0 GFADRO Cc1nc(Br)ccc1NC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000181327687 655335169 /nfs/dbraw/zinc/33/51/69/655335169.db2.gz ZLEQNCNQVUFWEX-ZDUSSCGKSA-N 1 0 385.306 2.631 20 0 GFADRO Cc1nc(Br)ccc1NC(=O)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000181359337 655335968 /nfs/dbraw/zinc/33/59/68/655335968.db2.gz GLUQMBJSKNCYQJ-UHFFFAOYSA-N 1 0 398.349 2.642 20 0 GFADRO C[NH+](C)CC1(NC(=O)c2ccnc(Cl)c2I)CCC1 ZINC000281597241 655336132 /nfs/dbraw/zinc/33/61/32/655336132.db2.gz CXYSQYLYJVCWQR-UHFFFAOYSA-N 1 0 393.656 2.554 20 0 GFADRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N[C@@H](CO)c2cccc(Br)c2)C1 ZINC000120877142 655345877 /nfs/dbraw/zinc/34/58/77/655345877.db2.gz UFWKHZUMPFYDAL-YOEHRIQHSA-N 1 0 398.345 2.760 20 0 GFADRO COc1ccc(C[NH2+]CCNC(=O)c2ccc(Br)cc2)c(OC)c1 ZINC000121150081 655348133 /nfs/dbraw/zinc/34/81/33/655348133.db2.gz LPZUFWDAXQHQOZ-UHFFFAOYSA-N 1 0 393.281 2.986 20 0 GFADRO Cc1cc(C[C@@H](C)[NH2+]Cc2cn(-c3ccccc3Br)nn2)[nH]n1 ZINC000289420196 655348560 /nfs/dbraw/zinc/34/85/60/655348560.db2.gz CKBOLUCVEKSGBY-LLVKDONJSA-N 1 0 375.274 2.782 20 0 GFADRO C[C@@H](CS(C)(=O)=O)[NH2+]CCN(C(=O)OC(C)(C)C)C1CCCCCC1 ZINC000183118685 655348971 /nfs/dbraw/zinc/34/89/71/655348971.db2.gz BYHWFIKYFCXFDG-HNNXBMFYSA-N 1 0 376.563 2.969 20 0 GFADRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CCC[C@H]2C[NH+]2CCCC2)c1 ZINC000183556382 655352183 /nfs/dbraw/zinc/35/21/83/655352183.db2.gz ZHPHEHRBQJPBMZ-ZDUSSCGKSA-N 1 0 387.889 2.806 20 0 GFADRO C[N@@H+]1CCC[C@]2(CCN(S(=O)(=O)c3cc(F)ccc3Br)C2)C1 ZINC000292805768 655354543 /nfs/dbraw/zinc/35/45/43/655354543.db2.gz MSTNRNFVULCDFQ-HNNXBMFYSA-N 1 0 391.306 2.695 20 0 GFADRO C[C@@H](CNC(=O)N[C@H]1CCCc2sc(Cl)cc21)C[NH+]1CCN(C)CC1 ZINC000292911657 655356866 /nfs/dbraw/zinc/35/68/66/655356866.db2.gz HIPGWLCXXNKWHN-ZFWWWQNUSA-N 1 0 384.977 2.962 20 0 GFADRO CN(Cc1c(F)cccc1Cl)S(=O)(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000292921031 655357114 /nfs/dbraw/zinc/35/71/14/655357114.db2.gz YBSHHTMCQFBLOC-QGZVFWFLSA-N 1 0 389.924 2.573 20 0 GFADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)c1cc(Cl)c(F)cc1Cl ZINC000292926925 655357303 /nfs/dbraw/zinc/35/73/03/655357303.db2.gz CFWKDVQNNBYSIK-HNNXBMFYSA-N 1 0 390.286 2.805 20 0 GFADRO CC[NH+]1CCN(CCC[NH2+][C@H](C)c2cc(Br)cc(F)c2[O-])CC1 ZINC000185013999 655361691 /nfs/dbraw/zinc/36/16/91/655361691.db2.gz NPONHJRRBCOTRP-CYBMUJFWSA-N 1 0 388.325 2.972 20 0 GFADRO Cc1ccc(S(=O)(=O)NC2CC[NH+](Cc3ccccc3)CC2)c(Cl)n1 ZINC000185458652 655364502 /nfs/dbraw/zinc/36/45/02/655364502.db2.gz BIBTUVQROZHTIB-UHFFFAOYSA-N 1 0 379.913 2.986 20 0 GFADRO CC(C)(C)S(=O)(=O)CCNC(=O)NC(C)(C)CC[NH+]1CCCCCC1 ZINC000185547951 655364942 /nfs/dbraw/zinc/36/49/42/655364942.db2.gz VAALSRLYZVFRSV-UHFFFAOYSA-N 1 0 375.579 2.544 20 0 GFADRO CCOC(=O)N1CC[C@@H]([NH2+]Cc2cnn(-c3ccc(Br)cc3)c2)C1 ZINC000185788790 655366462 /nfs/dbraw/zinc/36/64/62/655366462.db2.gz HKANIWVINZGDCI-OAHLLOKOSA-N 1 0 393.285 2.955 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCN(CC(F)(F)F)C1=O)c1cc(Br)ccc1O ZINC000186021319 655367270 /nfs/dbraw/zinc/36/72/70/655367270.db2.gz SOPBOEQFEWLSFR-GZMMTYOYSA-N 1 0 381.192 2.969 20 0 GFADRO COC(=O)N1CCC([C@H](C)[NH2+]CC(=O)N(C)Cc2ccc(Cl)s2)CC1 ZINC000186402864 655369353 /nfs/dbraw/zinc/36/93/53/655369353.db2.gz SLXODWWBBRUNRA-LBPRGKRZSA-N 1 0 387.933 2.816 20 0 GFADRO C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1cc(Br)cc(F)c1[O-] ZINC000186588407 655370216 /nfs/dbraw/zinc/37/02/16/655370216.db2.gz UCXOMMURFSDYEU-STQMWFEESA-N 1 0 388.325 2.970 20 0 GFADRO OCc1cn(CCC[NH2+][C@H]2CCCCc3ccc(Br)cc32)nn1 ZINC000297451359 655370844 /nfs/dbraw/zinc/37/08/44/655370844.db2.gz WZWYYTRWVUFMED-KRWDZBQOSA-N 1 0 379.302 2.980 20 0 GFADRO CCOCCOCCN(C)CN1CC[C@@H](c2cccc(Br)c2)C1=O ZINC000840053669 661127650 /nfs/dbraw/zinc/12/76/50/661127650.db2.gz HTWJWMABCBIKQB-KRWDZBQOSA-N 1 0 399.329 2.707 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)N(C)C[C@@H](O)c2ccccc2Br)C[N@@H+]1C1CC1 ZINC000298118679 655372381 /nfs/dbraw/zinc/37/23/81/655372381.db2.gz ZEGKZGUDOPYUMX-IIYDPXPESA-N 1 0 396.329 2.749 20 0 GFADRO C[C@@H]([NH2+]CCC(=O)Nc1sccc1C(N)=O)c1ccc(Br)cn1 ZINC000298601060 655373326 /nfs/dbraw/zinc/37/33/26/655373326.db2.gz SJAKFTQJEDGAQR-SECBINFHSA-N 1 0 397.298 2.684 20 0 GFADRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)C(=O)Nc1cc(Cl)c(N)c(Cl)c1 ZINC000299090127 655374429 /nfs/dbraw/zinc/37/44/29/655374429.db2.gz UMADMNUZZJMOPX-JQWIXIFHSA-N 1 0 385.295 2.599 20 0 GFADRO CC[N@@H+]1CCCN(C(=O)CSc2nncn2-c2cccc(Cl)c2)CC1 ZINC000299619103 655377380 /nfs/dbraw/zinc/37/73/80/655377380.db2.gz LABZFPBIGFQGFD-UHFFFAOYSA-N 1 0 379.917 2.567 20 0 GFADRO C[NH+](C)CC(C)(C)NC(=O)c1cnc(Br)c(Br)c1 ZINC000308683395 655378875 /nfs/dbraw/zinc/37/88/75/655378875.db2.gz SJEZRIFTIJHBSS-UHFFFAOYSA-N 1 0 379.096 2.677 20 0 GFADRO CC(C)[C@H](C[NH2+]Cc1c(Br)cnn1C)NC(=O)OC(C)(C)C ZINC000309943681 655379062 /nfs/dbraw/zinc/37/90/62/655379062.db2.gz CBXUBVSAKIFHGQ-LBPRGKRZSA-N 1 0 375.311 2.822 20 0 GFADRO CC(C)(C)OC(=O)NC[C@H]1CCC[C@H]1[NH2+]CCn1cc(Br)cn1 ZINC000309891071 655379071 /nfs/dbraw/zinc/37/90/71/655379071.db2.gz MJGCUUDXMAZRTE-TZMCWYRMSA-N 1 0 387.322 2.929 20 0 GFADRO CC(C)[NH2+]Cc1cn(Cc2nc(-c3cccc(Br)c3)no2)nn1 ZINC000321516384 655382736 /nfs/dbraw/zinc/38/27/36/655382736.db2.gz IGDGNQXTQRWCQT-UHFFFAOYSA-N 1 0 377.246 2.637 20 0 GFADRO C[C@H]1C[C@H](NC(=O)NOCc2ccc(F)cc2Br)C[N@@H+]1C1CC1 ZINC000189220404 655385424 /nfs/dbraw/zinc/38/54/24/655385424.db2.gz IINYTTWFJVGWJU-GWCFXTLKSA-N 1 0 386.265 2.944 20 0 GFADRO O=C(NCC[N@@H+]1CCCOCC1)N[C@@H]1CCOc2c(Cl)c(Cl)ccc21 ZINC000365174138 655392208 /nfs/dbraw/zinc/39/22/08/655392208.db2.gz BTSWNOUHIYVNNN-CQSZACIVSA-N 1 0 388.295 2.839 20 0 GFADRO O=C(CCC[S@](=O)c1ccc(Br)cc1)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000365243407 655392674 /nfs/dbraw/zinc/39/26/74/655392674.db2.gz HLVGQJHGGZKSPB-BSGVFPLJSA-N 1 0 399.354 2.547 20 0 GFADRO CN1CCC2(CC[NH+](C[C@@H](O)COc3ccc(Cl)cc3Cl)CC2)C1=O ZINC000365335298 655393895 /nfs/dbraw/zinc/39/38/95/655393895.db2.gz DDTDSNUZTHFKEV-CQSZACIVSA-N 1 0 387.307 2.677 20 0 GFADRO COc1cc(Cl)c(Cl)cc1C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000365908635 655396287 /nfs/dbraw/zinc/39/62/87/655396287.db2.gz PEMIOFXCALZVMG-LBPRGKRZSA-N 1 0 386.323 2.900 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)[C@@H]2CCCN2C(=O)c2ccc(Cl)s2)C[N@@H+]1C1CC1 ZINC000365917162 655396669 /nfs/dbraw/zinc/39/66/69/655396669.db2.gz CVXFMHOGTBGMRO-DYEKYZERSA-N 1 0 381.929 2.748 20 0 GFADRO O=C(CCc1cc(Br)cs1)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000366197079 655399810 /nfs/dbraw/zinc/39/98/10/655399810.db2.gz AKNJUQVBWWLLQM-CQSZACIVSA-N 1 0 387.343 2.813 20 0 GFADRO O[C@@H](COCC(F)(F)F)C[N@@H+]1CCC[C@H](c2cc(C(F)(F)F)n[nH]2)C1 ZINC000366583792 655400096 /nfs/dbraw/zinc/40/00/96/655400096.db2.gz PSSYMDFRTQXWQU-VHSXEESVSA-N 1 0 375.313 2.548 20 0 GFADRO O[C@H](COCC(F)(F)F)C[N@@H+]1CCC[C@@H](c2cc(C(F)(F)F)n[nH]2)C1 ZINC000366583793 655400152 /nfs/dbraw/zinc/40/01/52/655400152.db2.gz PSSYMDFRTQXWQU-ZJUUUORDSA-N 1 0 375.313 2.548 20 0 GFADRO CN1CC[C@H]([NH2+]C[C@@H](O)COCC(F)(F)F)[C@H]1c1ccc(Cl)c(F)c1 ZINC000366589537 655400304 /nfs/dbraw/zinc/40/03/04/655400304.db2.gz FPNJRRIOJGGHDB-BYCMXARLSA-N 1 0 384.801 2.754 20 0 GFADRO C#CC[NH+]1CCC(C(=O)Nc2cccc(C(=O)OC)c2Br)CC1 ZINC000191754091 655400412 /nfs/dbraw/zinc/40/04/12/655400412.db2.gz YMGRNVYWCFZZBT-UHFFFAOYSA-N 1 0 379.254 2.519 20 0 GFADRO O=C1[C@H]([NH+]2CCC(C3OCCO3)CC2)CCN1c1cccc(Br)c1 ZINC000192072496 655402355 /nfs/dbraw/zinc/40/23/55/655402355.db2.gz VNKAFYSOCIIGRA-MRXNPFEDSA-N 1 0 395.297 2.639 20 0 GFADRO COCCN(Cc1sccc1Br)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000418337108 655405556 /nfs/dbraw/zinc/40/55/56/655405556.db2.gz JJAHTZXEPDYDCV-GFCCVEGCSA-N 1 0 390.347 2.668 20 0 GFADRO C[C@@H](NC(=O)N1C[C@@H](C)[N@H+](CCO)C[C@H]1C)c1ccc(Br)s1 ZINC000419496022 655406875 /nfs/dbraw/zinc/40/68/75/655406875.db2.gz SWSCJIRVQWSGLB-IJLUTSLNSA-N 1 0 390.347 2.668 20 0 GFADRO C[C@@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)C(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000423107196 655407813 /nfs/dbraw/zinc/40/78/13/655407813.db2.gz DRSYZURGGBCGPU-SGTLLEGYSA-N 1 0 384.307 2.867 20 0 GFADRO O=C(c1ccc(Cl)c(I)c1)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000424033208 655407910 /nfs/dbraw/zinc/40/79/10/655407910.db2.gz XJQWVJSGAJQYJA-AWEZNQCLSA-N 1 0 390.652 2.913 20 0 GFADRO O=C(Nc1cc(Cl)ccc1N1CCSCC1)c1n[nH]c2c1C[NH2+]CC2 ZINC000446270792 655409819 /nfs/dbraw/zinc/40/98/19/655409819.db2.gz HLOWWHXFVZJTBH-UHFFFAOYSA-N 1 0 377.901 2.514 20 0 GFADRO CCOC(=O)COc1c(Br)cc(C)cc1C[NH2+]C[C@H](C)N(C)C ZINC000449558609 655410429 /nfs/dbraw/zinc/41/04/29/655410429.db2.gz YMJZAALRAHILLF-ZDUSSCGKSA-N 1 0 387.318 2.739 20 0 GFADRO COc1cc(C[NH2+]C(C)(C)CN(C)C)cc(I)c1OC ZINC000453602402 655411770 /nfs/dbraw/zinc/41/17/70/655411770.db2.gz VVYRFLZWOZCRHL-UHFFFAOYSA-N 1 0 392.281 2.738 20 0 GFADRO CC[C@@]1(COC)NC(=O)N([C@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)C1=O ZINC000530214624 655420505 /nfs/dbraw/zinc/42/05/05/655420505.db2.gz TWCSOQURCBHBDH-PBHICJAKSA-N 1 0 388.295 2.943 20 0 GFADRO C[C@H](NC(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C)c1ncc(Br)cn1 ZINC000562670502 655423722 /nfs/dbraw/zinc/42/37/22/655423722.db2.gz BWORJFGRMHEYMV-JSGCOSHPSA-N 1 0 384.322 2.816 20 0 GFADRO C[C@H]([NH3+])[C@H](C)C(=O)N(CCn1ccnc1)Cc1ccccc1Br ZINC000566067317 655424657 /nfs/dbraw/zinc/42/46/57/655424657.db2.gz VGFDSTVPLHMXCS-KBPBESRZSA-N 1 0 379.302 2.658 20 0 GFADRO C[C@@H]1CN(Cn2ccc(-c3ccc(Br)cc3)n2)C[C@H](C)[N@H+]1CCO ZINC000840133699 661138274 /nfs/dbraw/zinc/13/82/74/661138274.db2.gz HITKUDARPPSUDT-GASCZTMLSA-N 1 0 393.329 2.657 20 0 GFADRO COC[C@@H](C)OC[C@H](O)C[NH2+]CC1(c2ccccc2Br)CCC1 ZINC000574151619 655425579 /nfs/dbraw/zinc/42/55/79/655425579.db2.gz PMCVPSSTBGJSKZ-HUUCEWRRSA-N 1 0 386.330 2.873 20 0 GFADRO CN(C(=O)CN1C(=S)N=NC1c1ccc(Cl)cc1)C1CCC([NH3+])CC1 ZINC000237220285 655425955 /nfs/dbraw/zinc/42/59/55/655425955.db2.gz VLMCLFIOCQHTFA-UHFFFAOYSA-N 1 0 379.917 2.616 20 0 GFADRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)c1cccc(F)c1I ZINC000574187760 655426125 /nfs/dbraw/zinc/42/61/25/655426125.db2.gz RJQNKTSUUSHDMB-JTQLQIEISA-N 1 0 376.213 2.597 20 0 GFADRO CC(=O)c1cc(S(=O)(=O)N2CCCC[C@H]2[C@@H](C)[NH3+])ccc1Br ZINC000237399844 655426229 /nfs/dbraw/zinc/42/62/29/655426229.db2.gz XOBSQGJVMWPMRT-BMIGLBTASA-N 1 0 389.315 2.542 20 0 GFADRO [NH3+]CCCCCC(=O)N1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000237955502 655426810 /nfs/dbraw/zinc/42/68/10/655426810.db2.gz WDGCNQMUDLSWHT-ZDUSSCGKSA-N 1 0 397.317 2.540 20 0 GFADRO O=C([C@@H](c1ccc(Br)cc1)N1CCCC1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000574274198 655427755 /nfs/dbraw/zinc/42/77/55/655427755.db2.gz NYBZOQMQCSMHHK-IEBWSBKVSA-N 1 0 392.341 2.798 20 0 GFADRO COc1ccc(C[NH2+][C@@H]2CCC[C@H]3CN(C(C)=O)C[C@@H]32)c(Br)c1O ZINC000574309499 655428762 /nfs/dbraw/zinc/42/87/62/655428762.db2.gz DRSVMOLEMKRCFI-SOUVJXGZSA-N 1 0 397.313 2.900 20 0 GFADRO Cc1sc(C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)cc1Br ZINC000575917262 655440014 /nfs/dbraw/zinc/44/00/14/655440014.db2.gz QWUJBEZHRBNVKV-UHFFFAOYSA-N 1 0 383.315 3.535 20 0 GFADRO O=C(c1cccc(I)c1)N1CCC2(CC[NH2+]CC2)CC1 ZINC000261623396 655441471 /nfs/dbraw/zinc/44/14/71/655441471.db2.gz AJEKOROTJAEUES-UHFFFAOYSA-N 1 0 384.261 2.897 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]CCC1(COC)CC1 ZINC000576039889 655442412 /nfs/dbraw/zinc/44/24/12/655442412.db2.gz RJHPAVOBJQYOAP-ZDUSSCGKSA-N 1 0 399.329 2.869 20 0 GFADRO O=C1NC2(CC[NH2+]CC2)C(=O)N1Cc1csc(-c2ccc(Cl)cc2)n1 ZINC000576397018 655446673 /nfs/dbraw/zinc/44/66/73/655446673.db2.gz QZEJBYYZYHVVDP-UHFFFAOYSA-N 1 0 376.869 2.638 20 0 GFADRO O=C(C[C@@H]1CSCC[NH2+]1)NC1(c2ccc(Br)cc2)CCOCC1 ZINC000262830375 655447230 /nfs/dbraw/zinc/44/72/30/655447230.db2.gz UZCFUDDVHCEPIH-OAHLLOKOSA-N 1 0 399.354 2.666 20 0 GFADRO C[C@H]([NH3+])[C@H](C)NS(=O)(=O)c1cc(Br)c(Cl)cc1Cl ZINC000576465233 655447912 /nfs/dbraw/zinc/44/79/12/655447912.db2.gz YZYPPEFQHMOWGX-WDSKDSINSA-N 1 0 376.103 2.770 20 0 GFADRO CC[C@@H]1CN(C)CCN1C(=O)c1cn(Cc2ccc(Cl)cc2Cl)nn1 ZINC000576714045 655451483 /nfs/dbraw/zinc/45/14/83/655451483.db2.gz UDYMMACCJZWCAZ-CQSZACIVSA-N 1 0 382.295 2.799 20 0 GFADRO CS[C@H]1CN(C(=O)c2ncsc2Br)C[C@@H]1[NH+]1CCCC1 ZINC000576838946 655452739 /nfs/dbraw/zinc/45/27/39/655452739.db2.gz YCCUXBAENUCGFD-UWVGGRQHSA-N 1 0 376.345 2.557 20 0 GFADRO CN(C(=O)c1ccc(Cl)c(I)c1)C1(C[NH3+])CCC1 ZINC000577055275 655456738 /nfs/dbraw/zinc/45/67/38/655456738.db2.gz XUSIRGAMCFICAE-UHFFFAOYSA-N 1 0 378.641 2.898 20 0 GFADRO Cc1ncncc1[C@@H](C)[NH2+]CCNS(=O)(=O)c1cccc(Cl)c1Cl ZINC000577078107 655457289 /nfs/dbraw/zinc/45/72/89/655457289.db2.gz YAIKHRLEAAAOIQ-SNVBAGLBSA-N 1 0 389.308 2.721 20 0 GFADRO CCOC(=O)CC[C@@H](O)C[NH2+][C@@H]1CCN(c2ccc(Cl)cc2Cl)C1 ZINC000577365409 655457793 /nfs/dbraw/zinc/45/77/93/655457793.db2.gz CGYFWTOOBGMMJR-ZIAGYGMSSA-N 1 0 375.296 2.866 20 0 GFADRO O[C@@H](C[NH2+]CC[C@H]1CCCCO1)COc1cc(F)cc(Br)c1 ZINC000577365726 655457815 /nfs/dbraw/zinc/45/78/15/655457815.db2.gz LSVYQTUHUZZOCU-LSDHHAIUSA-N 1 0 376.266 2.877 20 0 GFADRO C[N@H+](CC(=O)NCCc1cnc(SC2CCCC2)nc1)[C@@H]1CCSC1 ZINC000577414099 655459051 /nfs/dbraw/zinc/45/90/51/655459051.db2.gz RJAFKKLWYJSXTO-OAHLLOKOSA-N 1 0 380.583 2.607 20 0 GFADRO Cc1cc(C)cc(OC[C@H](O)C[N@H+](C)CCn2cc(Br)cn2)c1 ZINC000577478417 655460730 /nfs/dbraw/zinc/46/07/30/655460730.db2.gz LCXUUXZETSVSQH-MRXNPFEDSA-N 1 0 382.302 2.634 20 0 GFADRO COCC[NH2+]C1CCN(Cc2cn(-c3ccc(Cl)cc3Cl)nn2)CC1 ZINC000577496477 655461010 /nfs/dbraw/zinc/46/10/10/655461010.db2.gz HQJQVZNMCDTXDT-UHFFFAOYSA-N 1 0 384.311 2.775 20 0 GFADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)NCCn1cc(Br)cn1 ZINC000577638821 655463463 /nfs/dbraw/zinc/46/34/63/655463463.db2.gz BUUBYTMHMGVCTL-RHSMWYFYSA-N 1 0 391.313 2.530 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)c2c[nH]c3cccc(Br)c23)CC12CCOCC2 ZINC000577859545 655468642 /nfs/dbraw/zinc/46/86/42/655468642.db2.gz GFOPSODLMPOKCW-GFCCVEGCSA-N 1 0 392.297 2.758 20 0 GFADRO COCCNS(=O)(=O)c1ccc(C[NH2+]Cc2ccc(SC)s2)cc1 ZINC000577905274 655469135 /nfs/dbraw/zinc/46/91/35/655469135.db2.gz RBIQKGNJOYABOY-UHFFFAOYSA-N 1 0 386.564 2.685 20 0 GFADRO CCCC[N@H+](C)C[C@@H](C)NC(=O)C(=O)Nc1c(F)cccc1Br ZINC000577922712 655469380 /nfs/dbraw/zinc/46/93/80/655469380.db2.gz CCLOQCRXYCJZDN-LLVKDONJSA-N 1 0 388.281 2.763 20 0 GFADRO Cc1nnc(CCNC(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)s1 ZINC000577925909 655469423 /nfs/dbraw/zinc/46/94/23/655469423.db2.gz LRYOIGYEIVWYBE-BBRMVZONSA-N 1 0 379.555 2.833 20 0 GFADRO C[C@@H]([NH2+]C[C@@H]1CS(=O)(=O)c2ccccc2O1)c1cncc(Br)c1 ZINC000578084252 655472254 /nfs/dbraw/zinc/47/22/54/655472254.db2.gz UJOHZDFQJJTKRK-BXUZGUMPSA-N 1 0 397.294 2.730 20 0 GFADRO COCC(C)(C)[NH+]1CCN(C(=O)Nc2nccc(Br)c2C)CC1 ZINC000578188425 655473681 /nfs/dbraw/zinc/47/36/81/655473681.db2.gz WADMZIFVBXYDSE-UHFFFAOYSA-N 1 0 385.306 2.727 20 0 GFADRO O=S(=O)(c1cccc(Br)c1F)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000578236623 655474838 /nfs/dbraw/zinc/47/48/38/655474838.db2.gz DDHZIHYBMXQKCZ-NEPJUHHUSA-N 1 0 391.306 2.598 20 0 GFADRO CC[NH2+]CCCNC(=O)NCc1nc2cc(Br)ccc2n1CC ZINC000578306982 655476210 /nfs/dbraw/zinc/47/62/10/655476210.db2.gz UJNWPHWBUZGLBI-UHFFFAOYSA-N 1 0 382.306 2.618 20 0 GFADRO O=C(CN1CC[NH+](C2CCC2)CC1)Nc1c(F)cc(F)cc1Br ZINC000265116481 655477725 /nfs/dbraw/zinc/47/77/25/655477725.db2.gz ISVOXMFGZOYXTO-UHFFFAOYSA-N 1 0 388.256 2.836 20 0 GFADRO CN(C)S(=O)(=O)N1CCCC[C@H]1C[NH2+]Cc1c(Cl)cccc1Cl ZINC000578395589 655477806 /nfs/dbraw/zinc/47/78/06/655477806.db2.gz HGGOCQLMKJDCDT-LBPRGKRZSA-N 1 0 380.341 2.744 20 0 GFADRO CN(C)S(=O)(=O)N1CCCC[C@H]1C[NH2+]Cc1ccc(F)c(Cl)c1Cl ZINC000578465865 655479653 /nfs/dbraw/zinc/47/96/53/655479653.db2.gz DLOAMJVKIIWXNC-LBPRGKRZSA-N 1 0 398.331 2.883 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc2nc(SC)sc2c1 ZINC000265410294 655483045 /nfs/dbraw/zinc/48/30/45/655483045.db2.gz SJDWLHMNXCIZLA-GFCCVEGCSA-N 1 0 378.523 2.557 20 0 GFADRO C[N@H+](CCNC(=O)c1nn(-c2ccc(F)cc2)cc1Br)C1CC1 ZINC000265591130 655486583 /nfs/dbraw/zinc/48/65/83/655486583.db2.gz RSCWSHNFLHGRCG-UHFFFAOYSA-N 1 0 381.249 2.598 20 0 GFADRO C[C@@H]1[C@H](C)[S@](=O)CCN1C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000265596241 655486713 /nfs/dbraw/zinc/48/67/13/655486713.db2.gz LEBQQYFCHSYBJP-UXECSINPSA-N 1 0 383.583 2.511 20 0 GFADRO [NH3+]C[C@H]1CC[C@H](CNC(=O)c2cc(=O)c3cc(Br)ccc3[nH]2)CC1 ZINC000578870156 655488203 /nfs/dbraw/zinc/48/82/03/655488203.db2.gz KMTUKCPQGWFXPF-HAQNSBGRSA-N 1 0 392.297 2.786 20 0 GFADRO C[N@@H+]1CCCC[C@@H]1CCOC(=O)c1cccc(S(=O)(=O)CC(F)F)c1 ZINC000840228283 661148798 /nfs/dbraw/zinc/14/87/98/661148798.db2.gz OMUNGFOQSRZPGF-CQSZACIVSA-N 1 0 375.437 2.757 20 0 GFADRO COC[C@@H]1CC[N@H+](C[C@@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000265757225 655490095 /nfs/dbraw/zinc/49/00/95/655490095.db2.gz GOOJDHXWVCGHQY-DGCLKSJQSA-N 1 0 378.694 2.811 20 0 GFADRO COCCOc1c(Cl)cc(NC(=O)C[NH2+]C[C@H]2CCCO2)cc1Cl ZINC000578998050 655491144 /nfs/dbraw/zinc/49/11/44/655491144.db2.gz MHGULSQHZYINHJ-GFCCVEGCSA-N 1 0 377.268 2.726 20 0 GFADRO COc1ccc(Br)cc1C[NH2+][C@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000265833819 655491511 /nfs/dbraw/zinc/49/15/11/655491511.db2.gz DOJCYCJANUCFGX-KBPBESRZSA-N 1 0 376.316 2.903 20 0 GFADRO COC[C@@H]1CCN(CC(=O)Nc2c(Cl)cc(Cl)cc2C(=O)OC)C1 ZINC000265840294 655491647 /nfs/dbraw/zinc/49/16/47/655491647.db2.gz WMTWILUENIJVFK-SNVBAGLBSA-N 1 0 375.252 2.687 20 0 GFADRO C[C@H](O)C[N@@H+]1CCN(Cc2cnn(-c3ccc(Br)cc3)c2)[C@H](C)C1 ZINC000579032310 655492206 /nfs/dbraw/zinc/49/22/06/655492206.db2.gz COHJHTSCAIQNON-CABCVRRESA-N 1 0 393.329 2.522 20 0 GFADRO CC[NH+](CC)CC[C@H](CO)NC(=O)c1c(F)ccc(Br)c1F ZINC000579241899 655496580 /nfs/dbraw/zinc/49/65/80/655496580.db2.gz JMWJMNVTIIIYHK-SNVBAGLBSA-N 1 0 379.245 2.550 20 0 GFADRO C[C@]([NH3+])(C(=O)NCc1ccc2c(c1)CCO2)c1ccc(Br)cc1 ZINC000579585444 655501751 /nfs/dbraw/zinc/50/17/51/655501751.db2.gz GPJAYKXHOCDQFW-GOSISDBHSA-N 1 0 375.266 2.874 20 0 GFADRO C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+]C[C@H](CO)c1cccnc1 ZINC000579749954 655503491 /nfs/dbraw/zinc/50/34/91/655503491.db2.gz PCYPNJQTPHCMMG-DZGCQCFKSA-N 1 0 392.297 2.927 20 0 GFADRO O=S(=O)(c1cc(Cl)ccc1OCC1CCC1)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000579832845 655504539 /nfs/dbraw/zinc/50/45/39/655504539.db2.gz XAVMKZZAFMHDQL-GJZGRUSLSA-N 1 0 384.929 2.749 20 0 GFADRO O[C@H](CCc1ccccc1)C[NH2+]C[C@@H](O)COc1cccc(Br)c1 ZINC000579958763 655506159 /nfs/dbraw/zinc/50/61/59/655506159.db2.gz RYWWJFGECKZNQS-QZTJIDSGSA-N 1 0 394.309 2.772 20 0 GFADRO CN(CCn1cc(Br)cn1)C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000580002333 655506525 /nfs/dbraw/zinc/50/65/25/655506525.db2.gz UCLKCDURILXEIB-UHFFFAOYSA-N 1 0 386.338 2.552 20 0 GFADRO C[C@H]1C[N@H+](C)CCN1c1ccc(Br)cc1NC(=O)c1cnns1 ZINC000580041001 655507273 /nfs/dbraw/zinc/50/72/73/655507273.db2.gz WDSYMPNMCZVYGF-JTQLQIEISA-N 1 0 396.314 2.693 20 0 GFADRO [NH3+][C@H]1CCCO[C@H]1C1CCN(CC(=O)Nc2ccccc2Br)CC1 ZINC000580174631 655509306 /nfs/dbraw/zinc/50/93/06/655509306.db2.gz CHEGIKVNZCYPQD-YJBOKZPZSA-N 1 0 396.329 2.606 20 0 GFADRO C[NH+](C)C[C@H](NC(=O)[C@@H]1CS[C@]2(C)CCC(=O)N12)c1ccc(Cl)cc1 ZINC000580200536 655510094 /nfs/dbraw/zinc/51/00/94/655510094.db2.gz XHIXLEQDXSDCRD-RLFYNMQTSA-N 1 0 381.929 2.513 20 0 GFADRO CC(C)(C)OC(=O)N1CC[C@@](O)(C[NH2+]Cc2ccc(Br)o2)C1 ZINC000705066276 655522072 /nfs/dbraw/zinc/52/20/72/655522072.db2.gz RZMXJRYITJQBCM-OAHLLOKOSA-N 1 0 375.263 2.504 20 0 GFADRO Brc1cccc(-c2noc(C[N@@H+]3CC[C@H](C4OCCO4)C3)n2)c1 ZINC000719056298 655524291 /nfs/dbraw/zinc/52/42/91/655524291.db2.gz BHZNXZIISNLMTH-LBPRGKRZSA-N 1 0 380.242 2.694 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)c2ccc(I)cc2)C[C@H]1C(F)(F)F ZINC000720817759 655524614 /nfs/dbraw/zinc/52/46/14/655524614.db2.gz SDAHGMJJWYBHCX-GXSJLCMTSA-N 1 0 398.166 2.500 20 0 GFADRO C[C@@H]([NH2+]CC[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O)c1cccs1 ZINC000721751559 655525143 /nfs/dbraw/zinc/52/51/43/655525143.db2.gz HGKZKXIRGOZNRS-KGLIPLIRSA-N 1 0 388.555 2.823 20 0 GFADRO O=C(Nc1cccc(Br)c1)C1CC[NH+](CCN2CCOC2=O)CC1 ZINC000725802148 655526298 /nfs/dbraw/zinc/52/62/98/655526298.db2.gz HBAJMPIMNHNMIR-UHFFFAOYSA-N 1 0 396.285 2.552 20 0 GFADRO COc1ccc2nc(Cl)ccc2c1S(=O)(=O)N1CCC([NH+](C)C)CC1 ZINC000725821961 655526879 /nfs/dbraw/zinc/52/68/79/655526879.db2.gz PINUSAVALCVNOJ-UHFFFAOYSA-N 1 0 383.901 2.612 20 0 GFADRO C[N@@H+]1CCCN(CCNC(=S)NCCc2ccc(Cl)cc2Cl)CC1 ZINC000726477055 655535331 /nfs/dbraw/zinc/53/53/31/655535331.db2.gz MLQYCRBCANRDAL-UHFFFAOYSA-N 1 0 389.396 2.638 20 0 GFADRO Cc1cc[n+](C(C(=O)c2ccc(Cl)cc2Cl)C(=S)NCC(N)=O)cc1 ZINC000727161914 655542399 /nfs/dbraw/zinc/54/23/99/655542399.db2.gz SAYBCTIQLOELKF-UHFFFAOYSA-O 1 0 397.307 2.875 20 0 GFADRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(c2ncnc3c2c(Br)nn3C)C1 ZINC000728051039 655552002 /nfs/dbraw/zinc/55/20/02/655552002.db2.gz YRUIQBKBXQAOFI-FRRDWIJNSA-N 1 0 393.333 2.967 20 0 GFADRO Cc1csc([C@](O)(CC(=O)N2CCC[C@@H]([NH2+]C(C)C)C2)C(F)(F)F)n1 ZINC000728604952 655557746 /nfs/dbraw/zinc/55/77/46/655557746.db2.gz LWUWFHXILPLWLA-IUODEOHRSA-N 1 0 379.448 2.581 20 0 GFADRO CCN(Cc1cccc(Br)c1)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000729504813 655565500 /nfs/dbraw/zinc/56/55/00/655565500.db2.gz LAOCQSCTJZGFQX-DLBZAZTESA-N 1 0 396.329 2.844 20 0 GFADRO CC[NH+](CC)CC1CCN(C(=O)c2sccc2S(=O)(=O)C(F)F)CC1 ZINC000731004427 655580589 /nfs/dbraw/zinc/58/05/89/655580589.db2.gz CMCCMFOLWOCTQD-UHFFFAOYSA-N 1 0 394.509 2.938 20 0 GFADRO O=C(CN1CCSC1=O)N[C@H]1CCCN(Cc2ccc(F)cc2Cl)C1 ZINC000732137694 655592075 /nfs/dbraw/zinc/59/20/75/655592075.db2.gz IIAVPQMUUGKVPZ-AWEZNQCLSA-N 1 0 385.892 2.729 20 0 GFADRO O=C1CCCN1C[C@H]1CCCC[N@H+]1C[C@H](O)c1ccc(Br)cc1 ZINC000732212445 655592753 /nfs/dbraw/zinc/59/27/53/655592753.db2.gz YTJNCYXCXCZKQV-SJORKVTESA-N 1 0 381.314 2.959 20 0 GFADRO Cc1nn(-c2ccc(Cl)cc2)c(Cl)c1CNC[C@H]1C[N@@H+](C)CCN1C ZINC000732230362 655593755 /nfs/dbraw/zinc/59/37/55/655593755.db2.gz GHOKLKWMVXOQFF-INIZCTEOSA-N 1 0 382.339 2.823 20 0 GFADRO CO[C@H](CNC(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)C(F)(F)F ZINC000733345502 655612997 /nfs/dbraw/zinc/61/29/97/655612997.db2.gz XAJBYENRUDOEMD-GXTWGEPZSA-N 1 0 379.448 2.837 20 0 GFADRO COc1ccc2nc(Cl)ccc2c1S(=O)(=O)N(C)C1CC[NH+](C)CC1 ZINC000733796311 655621105 /nfs/dbraw/zinc/62/11/05/655621105.db2.gz HZXWBHWCEYYHKR-UHFFFAOYSA-N 1 0 383.901 2.612 20 0 GFADRO CC[C@H](C[NH+]1CCCC1)NC(=O)CCN1C(=S)N=NC1c1cccs1 ZINC000735924741 655655417 /nfs/dbraw/zinc/65/54/17/655655417.db2.gz YMOJJUBCQAMJRU-CYBMUJFWSA-N 1 0 379.555 2.676 20 0 GFADRO CC[NH+](CC)CC1CCN(Cn2nc(N3CCOCC3)sc2=S)CC1 ZINC000738070581 655684932 /nfs/dbraw/zinc/68/49/32/655684932.db2.gz IXZHKFUKSVBLCA-UHFFFAOYSA-N 1 0 385.603 2.522 20 0 GFADRO O=S(=O)(NCC1([NH+]2CCSCC2)CCCCC1)c1cccnc1Cl ZINC000738375876 655690424 /nfs/dbraw/zinc/69/04/24/655690424.db2.gz BGGBFJYPWMSDIC-UHFFFAOYSA-N 1 0 389.974 2.765 20 0 GFADRO O=S(=O)(c1c(Cl)nc2sccn21)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000738407083 655690824 /nfs/dbraw/zinc/69/08/24/655690824.db2.gz HQVHIPBQTMGJBO-GFCCVEGCSA-N 1 0 388.946 2.688 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CNC(=S)NC[C@H](O)c1c(Cl)cccc1Cl ZINC000740769960 655699061 /nfs/dbraw/zinc/69/90/61/655699061.db2.gz BLVJAQNWAKWRCQ-FZMZJTMJSA-N 1 0 376.353 2.975 20 0 GFADRO CN1CCC(CNC(=S)NCCc2cccs2)([NH+]2CCCCC2)CC1 ZINC000741878657 655708779 /nfs/dbraw/zinc/70/87/79/655708779.db2.gz ZTCIGMZBKDZCPW-UHFFFAOYSA-N 1 0 380.627 2.705 20 0 GFADRO C[NH+]1CCC2(CCN2C(=O)c2cc(F)ccc2I)CC1 ZINC000742187160 655711518 /nfs/dbraw/zinc/71/15/18/655711518.db2.gz MKXMUKKQZXEXNW-UHFFFAOYSA-N 1 0 388.224 2.741 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)C(=O)COc2ccc(C=O)cc2Br)C[C@@H]1C ZINC000742697559 655720384 /nfs/dbraw/zinc/72/03/84/655720384.db2.gz DQJPBPDATCNNBF-ZFWWWQNUSA-N 1 0 397.313 2.972 20 0 GFADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]CCOC1CCCCC1 ZINC000742717447 655720394 /nfs/dbraw/zinc/72/03/94/655720394.db2.gz GXMLZQZKPPBIQW-CQSZACIVSA-N 1 0 389.949 2.643 20 0 GFADRO CC[C@H](CO)[NH+]1CCN(C(=S)NCCSc2ccc(Cl)cc2)CC1 ZINC000743019730 655724798 /nfs/dbraw/zinc/72/47/98/655724798.db2.gz ZHWFJKVZILEJSA-OAHLLOKOSA-N 1 0 388.002 2.695 20 0 GFADRO CCc1ccc([C@@H](O)C[NH2+][C@H](C)Cn2cc(Br)ccc2=O)cc1 ZINC000840748650 661182963 /nfs/dbraw/zinc/18/29/63/661182963.db2.gz HPGSOMSYJIFAHQ-DYVFJYSZSA-N 1 0 379.298 2.885 20 0 GFADRO CCN(Cc1cccc(Br)c1)CN1C(=O)N[C@](C)(C2CC2)C1=O ZINC000746026827 655757655 /nfs/dbraw/zinc/75/76/55/655757655.db2.gz RVMGGAWOCUBYCV-QGZVFWFLSA-N 1 0 380.286 2.949 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2Cn1ncc(Br)c1C1CC1 ZINC000746648897 655765287 /nfs/dbraw/zinc/76/52/87/655765287.db2.gz LSVJYOVKOFLOQQ-BMFZPTHFSA-N 1 0 383.334 2.664 20 0 GFADRO C[NH+](C)C1(CNC(=S)NCc2ccc(Br)cc2)CCOCC1 ZINC000747651035 655781302 /nfs/dbraw/zinc/78/13/02/655781302.db2.gz RCSGWTBVFLWAMF-UHFFFAOYSA-N 1 0 386.359 2.524 20 0 GFADRO CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)OCCC[NH+]2CCCCC2)c1 ZINC000747759130 655783024 /nfs/dbraw/zinc/78/30/24/655783024.db2.gz ZEUDJTQXEVBSMQ-UHFFFAOYSA-N 1 0 388.917 2.623 20 0 GFADRO Cc1nc(Cl)sc1C(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000748537059 655791782 /nfs/dbraw/zinc/79/17/82/655791782.db2.gz IXESILZYXCLGTO-HNNXBMFYSA-N 1 0 378.929 2.823 20 0 GFADRO C[NH+](C)[C@]1(CNC(=O)NC[C@@H](O)c2c(Cl)cccc2Cl)CCSC1 ZINC000748645473 655793164 /nfs/dbraw/zinc/79/31/64/655793164.db2.gz AJIDMGVFCFNXTM-CJNGLKHVSA-N 1 0 392.352 2.763 20 0 GFADRO S=C(Nc1cccc(Br)c1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000749827618 655807897 /nfs/dbraw/zinc/80/78/97/655807897.db2.gz IAUGNFDGRGAFCJ-CYBMUJFWSA-N 1 0 384.343 2.800 20 0 GFADRO OCCCC[NH+]1CCN(CCOc2ccc(Cl)cc2Br)CC1 ZINC000750057738 655810792 /nfs/dbraw/zinc/81/07/92/655810792.db2.gz XKEVTOSVRSTMAU-UHFFFAOYSA-N 1 0 391.737 2.871 20 0 GFADRO COc1ccc(C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)c(Br)c1 ZINC000750728478 655816632 /nfs/dbraw/zinc/81/66/32/655816632.db2.gz PXKMWSSVFMMLQR-OAHLLOKOSA-N 1 0 397.313 2.831 20 0 GFADRO C[C@@H]1CC[N@H+](CN2C(=O)N[C@@](C)(c3ccc(Br)cc3)C2=O)[C@@H]1C ZINC000751942013 655836528 /nfs/dbraw/zinc/83/65/28/655836528.db2.gz OWIKYIAQUFIUMF-QFSBIZTOSA-N 1 0 380.286 2.904 20 0 GFADRO CC1CC[NH+](C[C@H]2CCCN(C(=O)c3cnn(C)c3Br)C2)CC1 ZINC000753809574 655859013 /nfs/dbraw/zinc/85/90/13/655859013.db2.gz NDIRZHNQVOUVAI-CQSZACIVSA-N 1 0 383.334 2.767 20 0 GFADRO COC(=O)[C@H]1CN(C(=S)Nc2ccc(SC(F)F)cc2)CC[N@H+](C)C1 ZINC000840855649 661195879 /nfs/dbraw/zinc/19/58/79/661195879.db2.gz FDSDBURUHUKZIW-LLVKDONJSA-N 1 0 389.493 2.735 20 0 GFADRO Cc1cc(Br)ncc1NC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000754454569 655867934 /nfs/dbraw/zinc/86/79/34/655867934.db2.gz FHYNDSFVMKMMRD-CYBMUJFWSA-N 1 0 385.306 2.631 20 0 GFADRO C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+]Cc1ccccc1S(C)(=O)=O ZINC000840863577 661196524 /nfs/dbraw/zinc/19/65/24/661196524.db2.gz OLJGQHRATZTPCB-GFCCVEGCSA-N 1 0 381.885 2.645 20 0 GFADRO COC(=O)C[C@H]([NH2+]CC(=O)Nc1c(F)cc(F)cc1Br)C1CC1 ZINC000754534573 655869413 /nfs/dbraw/zinc/86/94/13/655869413.db2.gz BOFDYJXURYQMHG-LBPRGKRZSA-N 1 0 391.212 2.597 20 0 GFADRO C[C@@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+]CCS(=O)(=O)C1CC1 ZINC000840883815 661198547 /nfs/dbraw/zinc/19/85/47/661198547.db2.gz XCWHRLKLUCINNP-NSHDSACASA-N 1 0 378.416 2.589 20 0 GFADRO CC[N@H+](CCNC(=O)NC[C@H](O)c1ccccc1Cl)CCC(F)(F)F ZINC000755870756 655890197 /nfs/dbraw/zinc/89/01/97/655890197.db2.gz WZHXLGWVJNVYAU-AWEZNQCLSA-N 1 0 381.826 2.947 20 0 GFADRO Cc1ccc(N2N=C(Br)C[C@@H]2C(=O)NCCCC[NH+](C)C)cc1 ZINC000756104978 655895044 /nfs/dbraw/zinc/89/50/44/655895044.db2.gz XHPDQNWOTYYGTP-OAHLLOKOSA-N 1 0 381.318 2.740 20 0 GFADRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)c1cccnc1I ZINC000758107905 655922934 /nfs/dbraw/zinc/92/29/34/655922934.db2.gz DFZDCCBZPXSRIP-TXEJJXNPSA-N 1 0 387.265 2.679 20 0 GFADRO Cc1ccccc1[C@H]([C@H](C)NC(=O)c1cc(Br)nn1C)[NH+](C)C ZINC000759325622 655952901 /nfs/dbraw/zinc/95/29/01/655952901.db2.gz YRZNHIKRKFNNEK-LRDDRELGSA-N 1 0 379.302 2.912 20 0 GFADRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)c1c(Cl)nc2sccn21 ZINC000759790714 655963210 /nfs/dbraw/zinc/96/32/10/655963210.db2.gz PMBDMPXTYFYAIM-GRYCIOLGSA-N 1 0 390.962 2.694 20 0 GFADRO C[NH+](C)CCCNC(=S)N1CCN(C(=O)c2cc3sccc3s2)CC1 ZINC000760291364 655974580 /nfs/dbraw/zinc/97/45/80/655974580.db2.gz GUAIPLZPUCZFDF-UHFFFAOYSA-N 1 0 396.607 2.547 20 0 GFADRO Cc1c(Cl)cccc1NC(=S)NNC(=S)NCC1CC[NH+](C)CC1 ZINC000760464894 655981767 /nfs/dbraw/zinc/98/17/67/655981767.db2.gz AFVJWFDBKQAUNT-UHFFFAOYSA-N 1 0 385.990 2.656 20 0 GFADRO C[C@@H](C[NH+]1CCOCC1)C(=O)NCC[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC000760736440 655990896 /nfs/dbraw/zinc/99/08/96/655990896.db2.gz IFEFQGYAKVJNCU-BLLLJJGKSA-N 1 0 375.296 2.501 20 0 GFADRO C[NH+](C)[C@@H]1CCCN(C(=O)c2cn(-c3ccccc3Br)nn2)CC1 ZINC000760757548 655991158 /nfs/dbraw/zinc/99/11/58/655991158.db2.gz IWGPFHKRUYNHBW-CYBMUJFWSA-N 1 0 392.301 2.586 20 0 GFADRO C[NH+](C)C[C@H]1CN(C(=O)c2ccc(Br)nc2)c2ccccc2O1 ZINC000760824039 655992574 /nfs/dbraw/zinc/99/25/74/655992574.db2.gz XUOHNNQPOIVFGE-ZDUSSCGKSA-N 1 0 376.254 2.814 20 0 GFADRO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]C1CCC(F)(F)CC1 ZINC000761337333 656012196 /nfs/dbraw/zinc/01/21/96/656012196.db2.gz SROWXZDXZWSQTE-LBPRGKRZSA-N 1 0 381.876 2.872 20 0 GFADRO O=C(NCC[N@@H+]1CCc2ccccc2C1)N[C@@H]1CC[C@@H]2SCCS[C@@H]12 ZINC000762532516 656047125 /nfs/dbraw/zinc/04/71/25/656047125.db2.gz FIPWCHYUUOIFKS-SQNIBIBYSA-N 1 0 377.579 2.724 20 0 GFADRO C[N@H+](CCNC(=O)N[C@@H]1CC[C@@H]2SCCS[C@@H]12)Cc1ccc(F)cc1 ZINC000762585471 656050430 /nfs/dbraw/zinc/05/04/30/656050430.db2.gz LXDHJEGQHDXWJA-IKGGRYGDSA-N 1 0 383.558 2.936 20 0 GFADRO O=C(N[C@@H]1CC[C@@H]2SCCS[C@H]12)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000763181427 656074712 /nfs/dbraw/zinc/07/47/12/656074712.db2.gz UXERUAHJPDUMCY-XWTMOSNGSA-N 1 0 377.579 2.789 20 0 GFADRO C[C@@H]1C[C@@H](C[NH2+]CCC(C)(C)S(C)(=O)=O)CCN1C(=O)OC(C)(C)C ZINC000840960882 661221171 /nfs/dbraw/zinc/22/11/71/661221171.db2.gz XAZGLBJRIKSHPW-CABCVRRESA-N 1 0 376.563 2.825 20 0 GFADRO C[C@@H](C[C@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]CCC(C)(C)S(C)(=O)=O ZINC000840960022 661221390 /nfs/dbraw/zinc/22/13/90/661221390.db2.gz BQSSMASWTOJWSK-LSDHHAIUSA-N 1 0 376.563 2.967 20 0 GFADRO C[C@@H]1CN(C(=O)/C=C\c2ccc(Br)o2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000764076454 656100298 /nfs/dbraw/zinc/10/02/98/656100298.db2.gz RTJZEWNPUXOSHT-DURLZJIISA-N 1 0 396.329 2.540 20 0 GFADRO C[C@@H]1CN(C(=O)/C=C\c2ccc(Br)o2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000764076456 656100446 /nfs/dbraw/zinc/10/04/46/656100446.db2.gz RTJZEWNPUXOSHT-RXBJYRPYSA-N 1 0 396.329 2.540 20 0 GFADRO CCOc1cc(Br)ccc1NC(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000764241069 656105602 /nfs/dbraw/zinc/10/56/02/656105602.db2.gz DDQACIGBYLYIKB-ZIAGYGMSSA-N 1 0 398.301 2.833 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)C(=O)NC[C@H](C)[NH+]1CCCCC1 ZINC000764250330 656105988 /nfs/dbraw/zinc/10/59/88/656105988.db2.gz TYLSHERTCSHMRV-ZDUSSCGKSA-N 1 0 396.329 2.941 20 0 GFADRO O=C(NCC[NH+]1CCCC1)C(=O)Nc1ccc2cc(Br)ccc2c1 ZINC000764257674 656106461 /nfs/dbraw/zinc/10/64/61/656106461.db2.gz PFPGLZDECMKSHF-UHFFFAOYSA-N 1 0 390.281 2.753 20 0 GFADRO Cc1cc(S(=O)(=O)N[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)cnc1Cl ZINC000765174967 656135261 /nfs/dbraw/zinc/13/52/61/656135261.db2.gz JXCNOSXOGQBCGP-PBHICJAKSA-N 1 0 379.913 2.842 20 0 GFADRO COc1cc(C)c(Br)cc1NC(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000765337789 656140663 /nfs/dbraw/zinc/14/06/63/656140663.db2.gz SXANGKIJQMYEML-STQMWFEESA-N 1 0 398.301 2.751 20 0 GFADRO C[NH+](C)CCOc1ccc(CNc2ncc(I)cn2)cc1 ZINC000766059828 656159116 /nfs/dbraw/zinc/15/91/16/656159116.db2.gz RUTZMTICXITCGQ-UHFFFAOYSA-N 1 0 398.248 2.634 20 0 GFADRO CC(C)(C)[N@@H+]1CCCN(CN2C(=O)c3ccc(Br)cc3C2=O)CC1 ZINC000766068648 656159617 /nfs/dbraw/zinc/15/96/17/656159617.db2.gz KPZNEPMWUWDQFD-UHFFFAOYSA-N 1 0 394.313 2.809 20 0 GFADRO COCC[N@H+](C)CCCC1CCN(C(=O)NC[C@@H]2CC2(Cl)Cl)CC1 ZINC000766525299 656174718 /nfs/dbraw/zinc/17/47/18/656174718.db2.gz YMLVOKRRIDTKRR-HNNXBMFYSA-N 1 0 380.360 2.960 20 0 GFADRO CS[C@H](C)CC(=O)OCC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000766918697 656188750 /nfs/dbraw/zinc/18/87/50/656188750.db2.gz MUXUTEAFYWVADN-CQSZACIVSA-N 1 0 382.551 2.859 20 0 GFADRO CN(C(=O)Nc1cnc(Br)c(Br)c1)[C@H](C[NH3+])C1CC1 ZINC000841141732 661236903 /nfs/dbraw/zinc/23/69/03/661236903.db2.gz JCLMDNFFOIHNGZ-SNVBAGLBSA-N 1 0 392.095 2.808 20 0 GFADRO CN(C(=O)Nc1cnc(Br)c(Br)c1)[C@@H](C[NH3+])C1CC1 ZINC000841141731 661236959 /nfs/dbraw/zinc/23/69/59/661236959.db2.gz JCLMDNFFOIHNGZ-JTQLQIEISA-N 1 0 392.095 2.808 20 0 GFADRO Cc1ccc(NC(=O)N2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)c(Br)n1 ZINC000841154342 661239514 /nfs/dbraw/zinc/23/95/14/661239514.db2.gz YWCOCSCIYZMLIW-OCCSQVGLSA-N 1 0 383.290 2.513 20 0 GFADRO CCC[N@H+](CCS(=O)(=O)CCC)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000768541364 656241455 /nfs/dbraw/zinc/24/14/55/656241455.db2.gz ASNHRYQBYCYZMY-UHFFFAOYSA-N 1 0 376.563 2.923 20 0 GFADRO C[NH+](C)[C@@H](CNC(=S)NC[C@@H]1CCCO1)c1cccc(C(F)(F)F)c1 ZINC000768786007 656251334 /nfs/dbraw/zinc/25/13/34/656251334.db2.gz QEPJCHDXYOKJHU-GJZGRUSLSA-N 1 0 375.460 2.951 20 0 GFADRO CN(CC(C)(C)C[NH3+])C(=O)C(=O)Nc1ccc2cc(Br)ccc2c1 ZINC000841191799 661243199 /nfs/dbraw/zinc/24/31/99/661243199.db2.gz HXKGZNYYZYMCLM-UHFFFAOYSA-N 1 0 392.297 2.984 20 0 GFADRO CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NS(=O)(=O)c1cn(C)c(Cl)n1 ZINC000768911601 656260323 /nfs/dbraw/zinc/26/03/23/656260323.db2.gz QQDBHHJDWHZSQH-OAHLLOKOSA-N 1 0 384.933 2.508 20 0 GFADRO O=C(NC[C@H](O)c1cccc(Br)c1)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000841303340 661251625 /nfs/dbraw/zinc/25/16/25/661251625.db2.gz BVRQDSCHUOWKGB-KRWDZBQOSA-N 1 0 390.281 2.950 20 0 GFADRO C[NH+]1CCN(c2ccccc2NC(=O)c2cc[nH]c(=O)c2Br)CC1 ZINC000770822880 656331176 /nfs/dbraw/zinc/33/11/76/656331176.db2.gz VBSJGTYNJHRKQY-UHFFFAOYSA-N 1 0 391.269 2.554 20 0 GFADRO O=C(Cc1cc(F)ccc1Br)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000771491152 656350784 /nfs/dbraw/zinc/35/07/84/656350784.db2.gz FOOYYGQQRHSSFE-MRXNPFEDSA-N 1 0 399.304 2.890 20 0 GFADRO O=C(NCCC[NH+]1CCCC1)c1cnn(-c2ccccc2)c1Br ZINC000771927719 656366344 /nfs/dbraw/zinc/36/63/44/656366344.db2.gz DCDXTAYDDHTULU-UHFFFAOYSA-N 1 0 377.286 2.851 20 0 GFADRO CC[NH+](CC)CCOC(=O)[C@H](C)NC(=O)c1ccc(Br)s1 ZINC000772038783 656370748 /nfs/dbraw/zinc/37/07/48/656370748.db2.gz VEKXLXFHZMJXTD-JTQLQIEISA-N 1 0 377.304 2.514 20 0 GFADRO C[NH+](C)CCN(CCc1ccccc1)C(=O)c1cc[nH]c(=O)c1Br ZINC000772122271 656372937 /nfs/dbraw/zinc/37/29/37/656372937.db2.gz MARAHPPIWGWMPI-UHFFFAOYSA-N 1 0 392.297 2.796 20 0 GFADRO NC(=O)NC(=O)OCCC[N@@H+]1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000772198269 656374935 /nfs/dbraw/zinc/37/49/35/656374935.db2.gz AWDGWVXGSGASII-LLVKDONJSA-N 1 0 376.240 2.642 20 0 GFADRO CC[NH+]1CCN(Cc2ccc(CNC(=O)C3SCCCS3)cc2)CC1 ZINC000841381384 661256743 /nfs/dbraw/zinc/25/67/43/661256743.db2.gz KTRGOUQQWUYDFR-UHFFFAOYSA-N 1 0 379.595 2.637 20 0 GFADRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000772650956 656385116 /nfs/dbraw/zinc/38/51/16/656385116.db2.gz CTSHDKADPUSFOO-SJORKVTESA-N 1 0 389.323 2.986 20 0 GFADRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000772650955 656385159 /nfs/dbraw/zinc/38/51/59/656385159.db2.gz CTSHDKADPUSFOO-IRXDYDNUSA-N 1 0 389.323 2.986 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2ccc3nc(Cl)cnc3c2)C[C@H]1C ZINC000772941062 656394693 /nfs/dbraw/zinc/39/46/93/656394693.db2.gz YCXLBFQIZPMFJY-OLZOCXBDSA-N 1 0 382.917 2.777 20 0 GFADRO C[NH+](C)C1(C(=O)NCc2cnn(-c3ccc(Br)cc3)c2)CCC1 ZINC000773151721 656401488 /nfs/dbraw/zinc/40/14/88/656401488.db2.gz SCKZODOEQHHAOQ-UHFFFAOYSA-N 1 0 377.286 2.735 20 0 GFADRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1cc(=O)c2cc(Br)ccc2o1 ZINC000841401514 661260520 /nfs/dbraw/zinc/26/05/20/661260520.db2.gz DMNYXOMLAKCFLV-HZMBPMFUSA-N 1 0 391.265 2.768 20 0 GFADRO O=C([C@H](O)c1cc(Cl)cc(Cl)c1)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000773420460 656445184 /nfs/dbraw/zinc/44/51/84/656445184.db2.gz YDQOJBGRZGKZKO-DLBZAZTESA-N 1 0 387.307 2.740 20 0 GFADRO C[NH+]1CCC(ONC(=O)c2coc(-c3ccc(Br)cc3F)n2)CC1 ZINC000773547953 656459354 /nfs/dbraw/zinc/45/93/54/656459354.db2.gz WEXAGKPAXUCVSE-UHFFFAOYSA-N 1 0 398.232 2.999 20 0 GFADRO C[NH+]1CCC(NC(=S)N2CCc3cc(Br)cc(F)c3C2)CC1 ZINC000774566426 656537502 /nfs/dbraw/zinc/53/75/02/656537502.db2.gz PMZWJDAXFWGOHK-UHFFFAOYSA-N 1 0 386.334 2.915 20 0 GFADRO COCCS(=O)(=O)CCC[NH2+][C@H](C)c1ccc(OC)c(Br)c1 ZINC000774831729 656560108 /nfs/dbraw/zinc/56/01/08/656560108.db2.gz YDMYDGYFYPUSBM-GFCCVEGCSA-N 1 0 394.331 2.560 20 0 GFADRO CCOC(=O)CNC(=O)C1CC[NH+](Cc2cc(C)cc(Br)c2)CC1 ZINC000774910518 656569683 /nfs/dbraw/zinc/56/96/83/656569683.db2.gz CGLUBAZNYHVTKV-UHFFFAOYSA-N 1 0 397.313 2.649 20 0 GFADRO Cc1cc(Br)cc(C[N@@H+](C)C2CCN(S(C)(=O)=O)CC2)c1 ZINC000774913339 656570070 /nfs/dbraw/zinc/57/00/70/656570070.db2.gz SFRBNTQMPARLBK-UHFFFAOYSA-N 1 0 375.332 2.613 20 0 GFADRO CC[NH+](CC)[C@@H](CNC(=O)C(=O)NC[C@H]1CC1(Cl)Cl)c1ccsc1 ZINC000775152984 656604141 /nfs/dbraw/zinc/60/41/41/656604141.db2.gz QAENYRFICAZGRT-OLZOCXBDSA-N 1 0 392.352 2.557 20 0 GFADRO CSCCCCC[NH2+]Cc1c(C)nn([C@@H]2CCS(=O)(=O)C2)c1Cl ZINC000775360886 656632367 /nfs/dbraw/zinc/63/23/67/656632367.db2.gz NFSASKXSACDQSB-CYBMUJFWSA-N 1 0 379.979 2.827 20 0 GFADRO O=C1NC2(CCCCC2)C(=O)N1CCC[NH2+][C@@H]1CC[C@@H]2SCCS[C@@H]12 ZINC000775370838 656633123 /nfs/dbraw/zinc/63/31/23/656633123.db2.gz JMSFUPFQGQTNAZ-ILXRZTDVSA-N 1 0 383.583 2.600 20 0 GFADRO COc1cc(C[C@H](CO)C[NH2+][C@@H]2CC[C@H]3SCCS[C@@H]23)cc(OC)c1 ZINC000775396675 656637155 /nfs/dbraw/zinc/63/71/55/656637155.db2.gz QZGSCPRJDRBWIB-PIKADFDJSA-N 1 0 383.579 2.824 20 0 GFADRO COC(=O)/C=C1/SCC(=O)N1CCC[NH2+]C1(c2ccc(Cl)cc2)CC1 ZINC000775414025 656637896 /nfs/dbraw/zinc/63/78/96/656637896.db2.gz CPWRXAVJEBPSPH-LFIBNONCSA-N 1 0 380.897 2.899 20 0 GFADRO COc1ccccc1[C@@H](CO)[NH2+]C[C@H](O)c1ccc(F)c(Br)c1 ZINC000775659333 656660336 /nfs/dbraw/zinc/66/03/36/656660336.db2.gz CZHZLRFEERRXLE-CVEARBPZSA-N 1 0 384.245 2.953 20 0 GFADRO COC(=O)N1CCC[C@@H]([C@@H](C)[NH2+]CC(=O)Nc2ccc(Br)cc2)C1 ZINC000775817399 656683106 /nfs/dbraw/zinc/68/31/06/656683106.db2.gz YNZAFHKYAOPXIA-CHWSQXEVSA-N 1 0 398.301 2.844 20 0 GFADRO Cc1ccc(-n2nc(Br)cc2C(=O)NCC2=CC[N@H+](C)CC2)cc1 ZINC000775889116 656689000 /nfs/dbraw/zinc/68/90/00/656689000.db2.gz FEMHZGZQCKEIJL-UHFFFAOYSA-N 1 0 389.297 2.935 20 0 GFADRO CS[C@@H]1CN(CC(=O)Nc2ccccc2SC(F)F)C[C@H]1[NH+](C)C ZINC000775997471 656701979 /nfs/dbraw/zinc/70/19/79/656701979.db2.gz BEDNPIVXOBTMFA-TZMCWYRMSA-N 1 0 375.510 2.917 20 0 GFADRO C[C@H]([NH2+]C1CCC2(CC1)NC(=O)NC2=O)[C@@H](O)c1c(Cl)cccc1Cl ZINC000776219319 656721661 /nfs/dbraw/zinc/72/16/61/656721661.db2.gz FMCHHQKNIXPOKM-DMEJVSEQSA-N 1 0 386.279 2.526 20 0 GFADRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)Nc3cccc(Br)c3)CC2)C1 ZINC000776828736 656797875 /nfs/dbraw/zinc/79/78/75/656797875.db2.gz SEHGOYNVTZOMNX-MRXNPFEDSA-N 1 0 381.318 2.693 20 0 GFADRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)COc1ccc(C=O)cc1Br ZINC000778408625 656880414 /nfs/dbraw/zinc/88/04/14/656880414.db2.gz WJYWELIJLAUYCN-ZDUSSCGKSA-N 1 0 397.313 2.829 20 0 GFADRO COc1ccc2nc(Cl)ccc2c1S(=O)(=O)NC[C@@H](C)[NH+]1CCCC1 ZINC000780703812 657024103 /nfs/dbraw/zinc/02/41/03/657024103.db2.gz HDOKMBQDLPHDQV-GFCCVEGCSA-N 1 0 383.901 2.659 20 0 GFADRO COc1ccc(OC)c([C@@H](O)C[NH2+][C@@H](CO)c2ccc(Br)cc2)c1 ZINC000782077901 657100938 /nfs/dbraw/zinc/10/09/38/657100938.db2.gz IIOARHKEUUHLPQ-IRXDYDNUSA-N 1 0 396.281 2.823 20 0 GFADRO CCOC(=O)c1nn(CN2C[C@@H]([NH+](C)C)Cc3ccccc32)c(=S)s1 ZINC000782832443 657183344 /nfs/dbraw/zinc/18/33/44/657183344.db2.gz ITXNAMDXDHEHQY-ZDUSSCGKSA-N 1 0 378.523 2.801 20 0 GFADRO Cc1ccccc1C[NH+]1CCC(NC(=O)CSCCSCCO)CC1 ZINC000783615403 657247033 /nfs/dbraw/zinc/24/70/33/657247033.db2.gz QEASVYAIFMHRJU-UHFFFAOYSA-N 1 0 382.595 2.534 20 0 GFADRO C[C@@H]1CN(Cc2ccccc2I)CC[N@@H+]1CC(C)(C)O ZINC000783723930 657254490 /nfs/dbraw/zinc/25/44/90/657254490.db2.gz RUKIXMLSNIGPPE-CYBMUJFWSA-N 1 0 388.293 2.568 20 0 GFADRO C[NH+](C)C1CCN(CCNC(=S)Nc2ccc(Br)cc2)CC1 ZINC000783744013 657257622 /nfs/dbraw/zinc/25/76/22/657257622.db2.gz JCBIAJPIVUZVBJ-UHFFFAOYSA-N 1 0 385.375 2.762 20 0 GFADRO Cc1c(C(=O)NCC[N@H+]2CCC[C@H]2C)nnn1-c1cccc(Br)c1 ZINC000783917663 657273213 /nfs/dbraw/zinc/27/32/13/657273213.db2.gz NGIQMYRCYADYBD-GFCCVEGCSA-N 1 0 392.301 2.552 20 0 GFADRO C[C@H]1CCC[N@@H+]1CCNC(=O)CNC(=O)c1sc2ccccc2c1Cl ZINC000783918651 657274046 /nfs/dbraw/zinc/27/40/46/657274046.db2.gz RZYODGBTZBJAON-LBPRGKRZSA-N 1 0 379.913 2.885 20 0 GFADRO CC1CC[NH+]([C@H](CNS(=O)(=O)C[C@H]2CCCOC2)c2cccs2)CC1 ZINC000784730856 657324678 /nfs/dbraw/zinc/32/46/78/657324678.db2.gz QEYXMEFPYLKJLJ-DLBZAZTESA-N 1 0 386.583 2.867 20 0 GFADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)/C=C/c1ccc(Br)o1 ZINC000785439345 657364525 /nfs/dbraw/zinc/36/45/25/657364525.db2.gz RABLFPVKNLPCSX-MASHWEEQSA-N 1 0 383.286 2.767 20 0 GFADRO Cn1nc(Br)cc1C[NH2+]C[C@@](O)(c1ccccc1)C(F)(F)F ZINC000785446928 657365456 /nfs/dbraw/zinc/36/54/56/657365456.db2.gz IUDZQLCMJDKPKD-CYBMUJFWSA-N 1 0 378.192 2.722 20 0 GFADRO Cc1ccc(N2CCC[C@@H]([NH2+]Cc3cc(Br)nn3C)C2=O)cc1 ZINC000785476801 657367160 /nfs/dbraw/zinc/36/71/60/657367160.db2.gz GAHIKESDHJXVKX-OAHLLOKOSA-N 1 0 377.286 2.776 20 0 GFADRO Cc1cc(Br)ncc1NC(=O)N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC000785851338 657390194 /nfs/dbraw/zinc/39/01/94/657390194.db2.gz KJVPKYPISIDMBT-ZDUSSCGKSA-N 1 0 397.317 2.870 20 0 GFADRO CC(C)N1CCO[C@@H](C(=[NH2+])NOCc2ccc(Cl)nc2C(F)(F)F)C1 ZINC000786749042 657460543 /nfs/dbraw/zinc/46/05/43/657460543.db2.gz VULYBSCKYIITSU-LLVKDONJSA-N 1 0 380.798 2.861 20 0 GFADRO O=C(NC[C@@](O)(c1ccc(Cl)cc1)C(F)(F)F)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000787413148 657553749 /nfs/dbraw/zinc/55/37/49/657553749.db2.gz GHNXBDOQDXSMIK-GOEBONIOSA-N 1 0 376.806 2.833 20 0 GFADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@@](C)(O)c1ccc(F)cc1 ZINC000787762542 657595025 /nfs/dbraw/zinc/59/50/25/657595025.db2.gz LNXGDDZVCOZCCF-SJKOYZFVSA-N 1 0 383.261 2.636 20 0 GFADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@@]1(O)CCCc2ccccc21 ZINC000787763293 657595893 /nfs/dbraw/zinc/59/58/93/657595893.db2.gz KPJBSHWAUCOUHY-KUHUBIRLSA-N 1 0 391.309 2.813 20 0 GFADRO O=C(/C=C/c1ccc(I)o1)OCCC[NH+]1CCCC1 ZINC000787972717 657629110 /nfs/dbraw/zinc/62/91/10/657629110.db2.gz QCBLRRAKQLIVIB-FNORWQNLSA-N 1 0 375.206 2.927 20 0 GFADRO CC[NH+](CC)CCCNS(=O)(=O)c1sc(C(=O)OC)c(Cl)c1C ZINC000788578011 657746061 /nfs/dbraw/zinc/74/60/61/657746061.db2.gz SIRSQFUQQURVLK-UHFFFAOYSA-N 1 0 382.935 2.507 20 0 GFADRO COC(=O)c1sc(S(=O)(=O)NCCC[NH+]2CCCCC2)c(C)c1Cl ZINC000788591234 657748095 /nfs/dbraw/zinc/74/80/95/657748095.db2.gz HCWQAFRPDOMMBM-UHFFFAOYSA-N 1 0 394.946 2.651 20 0 GFADRO CC(C)Sc1cc(Br)ccc1C[NH2+]C[C@H]1CC(C(N)=O)=NO1 ZINC000789559741 657864769 /nfs/dbraw/zinc/86/47/69/657864769.db2.gz BBZJBWPCVXRFAM-GFCCVEGCSA-N 1 0 386.315 2.669 20 0 GFADRO NC(=O)C1=NO[C@H](C[NH2+]Cc2ccc(-c3ccc(Br)cc3)s2)C1 ZINC000789560123 657864795 /nfs/dbraw/zinc/86/47/95/657864795.db2.gz GHHQCGVAAWWERC-LBPRGKRZSA-N 1 0 394.294 2.897 20 0 GFADRO COC(=O)c1c2cnn(C[N@@H+]3CC[C@]4(CCOC4)C3)c2ccc1Br ZINC000790443784 657980597 /nfs/dbraw/zinc/98/05/97/657980597.db2.gz PVJLLETUSLEZCJ-KRWDZBQOSA-N 1 0 394.269 2.655 20 0 GFADRO COCC[N@H+](Cn1nc(C(=O)OC)c(Br)c1C)[C@H]1CC[C@@H](C)C1 ZINC000790480308 657992250 /nfs/dbraw/zinc/99/22/50/657992250.db2.gz SKYJKNYDSIWZPA-YPMHNXCESA-N 1 0 388.306 2.835 20 0 GFADRO CCOC(=O)NC1CCC([NH2+][C@@H](C(N)=O)c2cccc(Br)c2)CC1 ZINC000790549571 657997395 /nfs/dbraw/zinc/99/73/95/657997395.db2.gz RCJSJYYDCWDHFK-YMAMQOFZSA-N 1 0 398.301 2.622 20 0 GFADRO COC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CCN(c3ccc(Br)c(C)c3)C2=O)C1 ZINC000790556052 657997871 /nfs/dbraw/zinc/99/78/71/657997871.db2.gz WRFVKDRRUOTMNI-DVOMOZLQSA-N 1 0 395.297 2.794 20 0 GFADRO C[C@@H]1C[NH+](CCCNC(=O)N2CC[C@]3(C)[C@H](C2)C3(Cl)Cl)C[C@@H](C)O1 ZINC000790666042 658010554 /nfs/dbraw/zinc/01/05/54/658010554.db2.gz AKCIVZGVINISNN-HGTKMLMNSA-N 1 0 378.344 2.711 20 0 GFADRO C[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 ZINC000790745683 658017764 /nfs/dbraw/zinc/01/77/64/658017764.db2.gz DBWXFPYEBLXQCW-XPKDYRNWSA-N 1 0 387.343 2.990 20 0 GFADRO COC(=O)c1ccc(Cl)c(S(=O)(=O)NCC(C)(C)C[NH+]2CCCC2)c1 ZINC000790934993 658047083 /nfs/dbraw/zinc/04/70/83/658047083.db2.gz AXIMMZMNWBWLAQ-UHFFFAOYSA-N 1 0 388.917 2.527 20 0 GFADRO CC(C)OCC[NH+]1CCC(NC(=O)c2nc(Br)ccc2F)CC1 ZINC000792214226 658252710 /nfs/dbraw/zinc/25/27/10/658252710.db2.gz NJOABMXEZHNXGG-UHFFFAOYSA-N 1 0 388.281 2.602 20 0 GFADRO Cc1nc(SC(F)F)sc1CC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000792864224 658324533 /nfs/dbraw/zinc/32/45/33/658324533.db2.gz ZERBUHGVNPLRCN-GFCCVEGCSA-N 1 0 393.525 2.782 20 0 GFADRO Cc1ccc(NC(=O)C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)nc1Br ZINC000792948194 658332454 /nfs/dbraw/zinc/33/24/54/658332454.db2.gz KFPFNIZXLWSXNU-UHFFFAOYSA-N 1 0 397.317 2.516 20 0 GFADRO C[NH+](C)C[C@@H](NC(=O)C(=O)Nc1cccc(Cl)n1)c1ccc(Cl)cc1 ZINC000793070252 658355487 /nfs/dbraw/zinc/35/54/87/658355487.db2.gz BGEDWJYBONLUTR-CYBMUJFWSA-N 1 0 381.263 2.746 20 0 GFADRO NC(=O)[C@H]([NH2+][C@@H]1CC[C@@H]2SCCS[C@H]12)c1cccc(Br)c1 ZINC000793267773 658379327 /nfs/dbraw/zinc/37/93/27/658379327.db2.gz WCRCDLZWEVHBOX-XJFOESAGSA-N 1 0 387.368 2.945 20 0 GFADRO O=C(Nc1cccc(C[N@H+]2CC[C@H](O)C2)c1)c1cccc(Br)n1 ZINC000794593455 658572320 /nfs/dbraw/zinc/57/23/20/658572320.db2.gz MZUPCTFZOSSKIH-AWEZNQCLSA-N 1 0 376.254 2.663 20 0 GFADRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2Cn2c(=O)oc3cccc(Br)c32)C1 ZINC000794634315 658585699 /nfs/dbraw/zinc/58/56/99/658585699.db2.gz PGTBWORVYZYSRJ-GXTWGEPZSA-N 1 0 380.286 2.731 20 0 GFADRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1Cn1c2cc(Br)ccc2oc1=O ZINC000795702320 658843066 /nfs/dbraw/zinc/84/30/66/658843066.db2.gz DWYIXNFOQDWTFK-GXTWGEPZSA-N 1 0 380.286 2.873 20 0 GFADRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1CN1Cc2cccc(Br)c2C1=O ZINC000795709572 658843460 /nfs/dbraw/zinc/84/34/60/658843460.db2.gz YQYQKJLYUICXKH-UKRRQHHQSA-N 1 0 378.314 2.921 20 0 GFADRO COC(=O)[C@@]1(C(F)(F)F)CC[N@H+](C[C@H](O)c2ccc(Br)cc2)C1 ZINC000796290616 658911110 /nfs/dbraw/zinc/91/11/10/658911110.db2.gz BCJSNOQZXSWBGC-GXTWGEPZSA-N 1 0 396.203 2.910 20 0 GFADRO COC(=O)C[C@@](C)([NH2+]CCCN1CCOC1=O)c1ccc(Br)cc1 ZINC000796496439 658920084 /nfs/dbraw/zinc/92/00/84/658920084.db2.gz ABYPYHULVMHIFU-QGZVFWFLSA-N 1 0 399.285 2.659 20 0 GFADRO COc1nc(Br)ccc1NC(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000797649892 659040637 /nfs/dbraw/zinc/04/06/37/659040637.db2.gz XYKPZXUYLLIHRV-UHFFFAOYSA-N 1 0 383.290 2.991 20 0 GFADRO CC[NH+](CC)CC[C@H](CO)NC(=O)[C@@H](C)Sc1nc2ccccc2s1 ZINC000798144020 659076139 /nfs/dbraw/zinc/07/61/39/659076139.db2.gz SDAXAFGQAOULJR-ZIAGYGMSSA-N 1 0 381.567 2.986 20 0 GFADRO C[NH+]1CCC2(CCCN(S(=O)(=O)c3cnccc3C(F)(F)F)C2)CC1 ZINC000798466498 659109484 /nfs/dbraw/zinc/10/94/84/659109484.db2.gz RXJBFAHPQJHVBK-UHFFFAOYSA-N 1 0 377.432 2.597 20 0 GFADRO CON(C)C(=O)CC[N@@H+]1CCC[C@@H]1c1ccccc1I ZINC000799122686 659165637 /nfs/dbraw/zinc/16/56/37/659165637.db2.gz DDDVEZRCWIFUTG-CQSZACIVSA-N 1 0 388.249 2.838 20 0 GFADRO Cc1nn2c(nc(C)c2C[NH2+]C[C@H](O)c2cccc(Br)c2)s1 ZINC000800288425 659299118 /nfs/dbraw/zinc/29/91/18/659299118.db2.gz NXLXJEOQBUCJOH-AWEZNQCLSA-N 1 0 381.299 2.993 20 0 GFADRO O[C@@H](C[NH2+]C1CCN(c2cnccn2)CC1)c1cccc(Br)c1 ZINC000800495541 659312920 /nfs/dbraw/zinc/31/29/20/659312920.db2.gz DMDIITJDSOKSAJ-INIZCTEOSA-N 1 0 377.286 2.531 20 0 GFADRO COC(=O)COc1ccc(C[NH2+]C[C@H](O)c2cccc(Br)c2)cc1 ZINC000800530136 659314649 /nfs/dbraw/zinc/31/46/49/659314649.db2.gz VZCPVZGWHYGCHV-KRWDZBQOSA-N 1 0 394.265 2.824 20 0 GFADRO Cc1nn(C)c(Br)c1C(=O)N1CC[NH+](C2CCC(C)CC2)CC1 ZINC000800891994 659344059 /nfs/dbraw/zinc/34/40/59/659344059.db2.gz SXDIFVCNSBBXFQ-UHFFFAOYSA-N 1 0 383.334 2.828 20 0 GFADRO Cc1nn(C)c(Br)c1C(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000800916714 659347601 /nfs/dbraw/zinc/34/76/01/659347601.db2.gz IFLHEIYVJDSMQS-HNNXBMFYSA-N 1 0 391.313 2.838 20 0 GFADRO CCC[N@H+](C)C[C@H]1CCN(S(=O)(=O)c2cc3c(cc2Cl)CCC3=O)C1 ZINC000800918837 659348365 /nfs/dbraw/zinc/34/83/65/659348365.db2.gz JGDFUUZAWYAGDO-CYBMUJFWSA-N 1 0 384.929 2.821 20 0 GFADRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)NC[C@@H](O)c1cccc(Br)c1 ZINC000801754404 659423308 /nfs/dbraw/zinc/42/33/08/659423308.db2.gz FZDOTDSOSBWQBB-GRDNDAEWSA-N 1 0 398.345 2.902 20 0 GFADRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2CN2Cc3ccc(Br)cc3C2=O)C1 ZINC000802732537 659500041 /nfs/dbraw/zinc/50/00/41/659500041.db2.gz FVIMURLOFMIOPG-RHSMWYFYSA-N 1 0 378.314 2.779 20 0 GFADRO COCC[NH+](CCOC)C1CCN(C(=O)c2cc(Cl)nc(Cl)c2)CC1 ZINC000803558052 659589005 /nfs/dbraw/zinc/58/90/05/659589005.db2.gz LOZCVDHFVPHUKI-UHFFFAOYSA-N 1 0 390.311 2.588 20 0 GFADRO CN(CCN1CC[NH+](Cc2ccccc2)CC1)C(=O)CSC(F)(F)F ZINC000804345844 659636346 /nfs/dbraw/zinc/63/63/46/659636346.db2.gz SLIMACWLMIKCNE-UHFFFAOYSA-N 1 0 375.460 2.516 20 0 GFADRO O=C([C@@H]1CC1(Cl)Cl)N1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000804446599 659648066 /nfs/dbraw/zinc/64/80/66/659648066.db2.gz LGPPEYVOIUVCEK-SJORKVTESA-N 1 0 382.335 2.599 20 0 GFADRO O=S(=O)(c1ccccc1)N1CC[C@H]([NH2+][C@H]2CCc3nc(Cl)ccc32)C1 ZINC000806182989 659827153 /nfs/dbraw/zinc/82/71/53/659827153.db2.gz IYLUGEMUJUXQJL-BBRMVZONSA-N 1 0 377.897 2.775 20 0 GFADRO CSCC[C@H]([NH2+][C@H](C)c1ccc(S(=O)(=O)C(F)F)cc1)C(=O)N(C)C ZINC000806661634 659839136 /nfs/dbraw/zinc/83/91/36/659839136.db2.gz AOFQUCXZZUEFRP-RISCZKNCSA-N 1 0 394.509 2.543 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)c1cnc(C2OCCO2)s1)c1ccc(Cl)cc1 ZINC000806986777 659845868 /nfs/dbraw/zinc/84/58/68/659845868.db2.gz MUFVKZKMXDPIRA-CYBMUJFWSA-N 1 0 381.885 2.875 20 0 GFADRO C[NH+]1CCC(ONC(=O)c2nn(-c3ccc(F)cc3)cc2Br)CC1 ZINC000808024472 659873910 /nfs/dbraw/zinc/87/39/10/659873910.db2.gz SHZAFZJLUSAQNT-UHFFFAOYSA-N 1 0 397.248 2.530 20 0 GFADRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1Cn1nnn(-c2ccc(Cl)cc2)c1=S ZINC000808191848 659881214 /nfs/dbraw/zinc/88/12/14/659881214.db2.gz OJMNWJLYMUFOJG-BBRMVZONSA-N 1 0 378.933 2.968 20 0 GFADRO CC(C)(C)OC(=O)N(CC[NH2+][C@@H]1CCC[C@H](S(C)(=O)=O)C1)C(C)(C)C ZINC000809622345 659934007 /nfs/dbraw/zinc/93/40/07/659934007.db2.gz ZCBOYFLJMPGGTD-CABCVRRESA-N 1 0 376.563 2.967 20 0 GFADRO FC(F)(F)c1ccc(OCC[NH2+]Cc2cnc(C3OCCO3)s2)nc1 ZINC000809625896 659934294 /nfs/dbraw/zinc/93/42/94/659934294.db2.gz BRYJIBXNMRSBCD-UHFFFAOYSA-N 1 0 375.372 2.771 20 0 GFADRO COCC[NH+](CCOC)C1CCN(Cc2occc2Br)CC1 ZINC000809707130 659936861 /nfs/dbraw/zinc/93/68/61/659936861.db2.gz QZIOTYWEVUTNFF-UHFFFAOYSA-N 1 0 375.307 2.601 20 0 GFADRO COc1c(F)cc(Br)cc1S(=O)(=O)N[C@@H](C)C[N@H+](C)C(C)C ZINC000809861105 659950451 /nfs/dbraw/zinc/95/04/51/659950451.db2.gz OCJRZBUOQZBMBF-JTQLQIEISA-N 1 0 397.310 2.604 20 0 GFADRO Cc1cc(C(=O)O[C@H]2CCCN(c3cc[nH+]c(N)n3)C2)ccc1Br ZINC000810760761 659985002 /nfs/dbraw/zinc/98/50/02/659985002.db2.gz BLYZMHIZFMNWIK-ZDUSSCGKSA-N 1 0 391.269 2.956 20 0 GFADRO CC(C)C[C@H](C[NH2+][C@H]1CCC[C@H](S(C)(=O)=O)C1)NC(=O)OC(C)(C)C ZINC000811480915 660010058 /nfs/dbraw/zinc/01/00/58/660010058.db2.gz JNZSHIGTCGPCQQ-XHSDSOJGSA-N 1 0 376.563 2.871 20 0 GFADRO CN(C)CC[N@H+](C)CCCN(C)C(=O)c1cc(C(F)(F)F)cc(Cl)n1 ZINC000811542635 660011657 /nfs/dbraw/zinc/01/16/57/660011657.db2.gz DVTXJJBRPUNETF-UHFFFAOYSA-N 1 0 380.842 2.709 20 0 GFADRO CCC[N@H+](CC)C[C@@H](C)NC(=O)NC[C@H](O)c1cccc(Br)c1 ZINC000811972800 660018550 /nfs/dbraw/zinc/01/85/50/660018550.db2.gz SKNMQNQGXXYUPD-CJNGLKHVSA-N 1 0 386.334 2.902 20 0 GFADRO Cc1sc2ncnc(SCC(=O)N3C[C@@H]4C[N@H+](C)CC[C@@H]4C3)c2c1C ZINC000812322943 660023805 /nfs/dbraw/zinc/02/38/05/660023805.db2.gz KBGLRTYKWIMVGV-KGLIPLIRSA-N 1 0 376.551 2.810 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccn(-c4cccc(Br)c4)n3)C[C@@H]2C1 ZINC000812332805 660024432 /nfs/dbraw/zinc/02/44/32/660024432.db2.gz KLUAFMQHYAIKOV-KGLIPLIRSA-N 1 0 389.297 2.659 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC(c4ccc(Cl)cc4Cl)=NO3)C[C@@H]2C1 ZINC000812335776 660024775 /nfs/dbraw/zinc/02/47/75/660024775.db2.gz VEKLBSFGWVCEJI-PEBVRCNWSA-N 1 0 382.291 2.897 20 0 GFADRO CCC[N@H+](CC)C[C@H](C)NC(=O)CCN1C(=S)N=NC1c1cccs1 ZINC000812393456 660026087 /nfs/dbraw/zinc/02/60/87/660026087.db2.gz CQBQOTVIRYXNOS-ZDUSSCGKSA-N 1 0 381.571 2.922 20 0 GFADRO C[N@@H+]1CC[C@]2(CCN(S(=O)(=O)/C=C\c3ccc(Br)cc3)C2)C1 ZINC000813760401 660063422 /nfs/dbraw/zinc/06/34/22/660063422.db2.gz SVOUVZQITPRDFH-BCTQVIJGSA-N 1 0 385.327 2.777 20 0 GFADRO O=C(NC1CC[NH+](CC2CC2)CC1)c1cn2c(Br)cnc2s1 ZINC000815064325 660108716 /nfs/dbraw/zinc/10/87/16/660108716.db2.gz ZYYHSNYMSPUSHF-UHFFFAOYSA-N 1 0 383.315 2.763 20 0 GFADRO O=C(c1cn2c(Br)cnc2s1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000815673129 660127956 /nfs/dbraw/zinc/12/79/56/660127956.db2.gz BEOGSJTWLMLQNE-NSHDSACASA-N 1 0 383.315 2.716 20 0 GFADRO C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[C@@H]1CCC(=O)N1 ZINC000816901955 660171976 /nfs/dbraw/zinc/17/19/76/660171976.db2.gz DKGYPNQMIYNSPF-AWEZNQCLSA-N 1 0 386.323 2.942 20 0 GFADRO CC(C)OCC[NH+]1CCC(NC(=O)c2nc(F)ccc2Br)CC1 ZINC000816943296 660173709 /nfs/dbraw/zinc/17/37/09/660173709.db2.gz TYQAZAHPCOVDNN-UHFFFAOYSA-N 1 0 388.281 2.602 20 0 GFADRO O=C(CCCC[NH+]1CCCC1)N[C@H]1CN(c2ccc(Br)cc2)C1=O ZINC000817029204 660176828 /nfs/dbraw/zinc/17/68/28/660176828.db2.gz YOHNAVJJBXSFSW-INIZCTEOSA-N 1 0 394.313 2.547 20 0 GFADRO COc1ccc(CNC(=O)NCc2ccc(CC[NH3+])cc2)cc1Br ZINC000841775188 661312289 /nfs/dbraw/zinc/31/22/89/661312289.db2.gz XNAVMCLHZXVPMP-UHFFFAOYSA-N 1 0 392.297 2.958 20 0 GFADRO O=C(NC[C@@H]1CSCCS1)NC[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1 ZINC000841854564 661316445 /nfs/dbraw/zinc/31/64/45/661316445.db2.gz RNTSPDCNWOLRRP-OIISXLGYSA-N 1 0 383.558 2.667 20 0 GFADRO O=C(NCC[C@H]1CC[NH2+]C1)N1CCO[C@@H](c2ccccc2Br)C1 ZINC000841937837 661318017 /nfs/dbraw/zinc/31/80/17/661318017.db2.gz CNWJLHJAKRXJSD-CZUORRHYSA-N 1 0 382.302 2.532 20 0 GFADRO O=C(N[C@H]1CCC[NH2+]CC1)N1CCO[C@H](c2ccccc2Br)C1 ZINC000841977048 661318721 /nfs/dbraw/zinc/31/87/21/661318721.db2.gz GLVKRZFIJQMNGB-BBRMVZONSA-N 1 0 382.302 2.674 20 0 GFADRO CC[C@H](NC(=O)C(=O)NCc1ccc(CC[NH3+])cc1)c1ccc(Cl)s1 ZINC000842058485 661321530 /nfs/dbraw/zinc/32/15/30/661321530.db2.gz UMSKVOZUUBXQKP-AWEZNQCLSA-N 1 0 379.913 2.786 20 0 GFADRO CC(C)[C@H]([NH2+]Cc1ccc(S(N)(=O)=O)c(Cl)c1)[C@H](O)c1ccccc1 ZINC000842208234 661327889 /nfs/dbraw/zinc/32/78/89/661327889.db2.gz SHTNCYRSVABHFK-ZWKOTPCHSA-N 1 0 382.913 2.835 20 0 GFADRO CC1(C)C[NH2+]CC[C@H]1NS(=O)(=O)Cc1ccc(Cl)cc1Br ZINC000842483872 661341613 /nfs/dbraw/zinc/34/16/13/661341613.db2.gz SMTLZQPVVHNAML-CYBMUJFWSA-N 1 0 395.750 2.910 20 0 GFADRO O=C([C@H](c1ccc(Br)cc1)N1CCCC1)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000842511440 661342833 /nfs/dbraw/zinc/34/28/33/661342833.db2.gz ASFXMPNSLHCTES-PKOBYXMFSA-N 1 0 392.341 2.941 20 0 GFADRO C[NH2+]C[C@@H](C)c1noc(C[C@H](NC(C)=O)c2ccc(Br)cc2)n1 ZINC000842576903 661344137 /nfs/dbraw/zinc/34/41/37/661344137.db2.gz LKHWKSRJMSATHF-YGRLFVJLSA-N 1 0 381.274 2.575 20 0 GFADRO C[NH2+]C[C@@H](C)c1noc([C@@H](C)N2C(=O)c3ccc(Br)cc3C2=O)n1 ZINC000842580695 661344308 /nfs/dbraw/zinc/34/43/08/661344308.db2.gz PTCAFWWFKJFIHP-RKDXNWHRSA-N 1 0 393.241 2.512 20 0 GFADRO O=C(Nc1nc(Cc2nc([C@@H]3CCC[NH2+]C3)no2)cs1)c1cccs1 ZINC000842663599 661347864 /nfs/dbraw/zinc/34/78/64/661347864.db2.gz DHNQWNSDBOXWSE-SNVBAGLBSA-N 1 0 375.479 2.898 20 0 GFADRO CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+]Cc2cc(Br)cnc2Cl)C1 ZINC000842682806 661348889 /nfs/dbraw/zinc/34/88/89/661348889.db2.gz NJOIODULTXQSCY-NWDGAFQWSA-N 1 0 381.723 2.943 20 0 GFADRO [NH3+]C1C[C@H]2CCC[C@@H](C1)N2S(=O)(=O)c1ccc(F)c(Br)c1 ZINC000842742278 661352121 /nfs/dbraw/zinc/35/21/21/661352121.db2.gz SMYKQGXHURMJBY-FGWVZKOKSA-N 1 0 377.279 2.621 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H]2CN(S(=O)(=O)/C=C\c3ccccc3Br)C[C@H]21 ZINC000842794057 661354531 /nfs/dbraw/zinc/35/45/31/661354531.db2.gz PPBXHDNFVXWDSL-PMJOWRETSA-N 1 0 385.327 2.809 20 0 GFADRO CC[C@@H]1CN(S(=O)(=O)c2c(OC)ccc3nc(Cl)ccc32)CC[C@@H]1[NH3+] ZINC000842794373 661354819 /nfs/dbraw/zinc/35/48/19/661354819.db2.gz ZTYIPZRRWFYTMY-YPMHNXCESA-N 1 0 383.901 2.645 20 0 GFADRO COC(=O)c1cc(S(=O)(=O)NCCC[C@@H]2CCC[NH2+]2)c(Cl)cc1Cl ZINC000842896108 661359387 /nfs/dbraw/zinc/35/93/87/661359387.db2.gz SJXCBVBPBNTOQU-JTQLQIEISA-N 1 0 395.308 2.591 20 0 GFADRO O[C@H](C[NH2+]C[C@H](O)c1ccccc1F)COc1cccc(Br)c1 ZINC000843064262 661365792 /nfs/dbraw/zinc/36/57/92/661365792.db2.gz GGCTZLFWWKNPOL-DYVFJYSZSA-N 1 0 384.245 2.651 20 0 GFADRO C[C@](O)(C[NH2+]C[C@@H](O)COCC1CC1)c1ccc(Br)cc1Cl ZINC000843068028 661366030 /nfs/dbraw/zinc/36/60/30/661366030.db2.gz IXWLMCXIHOCXNT-CJNGLKHVSA-N 1 0 392.721 2.687 20 0 GFADRO CC(C)(C)OC(=O)NCC[C@@H](O)C[NH2+]C[C@H](O)c1ccc(Cl)cc1Cl ZINC000843075605 661366640 /nfs/dbraw/zinc/36/66/40/661366640.db2.gz NEJNVPZMNSXHNR-DOMZBBRYSA-N 1 0 393.311 2.892 20 0 GFADRO C[C@](O)(C[NH2+][C@H](CO)Cc1ccccc1)c1ccc(Br)cc1F ZINC000843073303 661366643 /nfs/dbraw/zinc/36/66/43/661366643.db2.gz RWWLUONOXFHPKD-YJBOKZPZSA-N 1 0 382.273 2.989 20 0 GFADRO C[C@@](O)(C[NH2+]C[C@@H](CO)c1cccnc1)c1ccc(Br)cc1F ZINC000843081299 661366840 /nfs/dbraw/zinc/36/68/40/661366840.db2.gz ATYTVGDLVIXVBR-SUMWQHHRSA-N 1 0 383.261 2.556 20 0 GFADRO Cc1cccc([C@H](O)C[NH2+]C[C@H](O)COc2cccc(Br)c2)c1 ZINC000843085480 661366922 /nfs/dbraw/zinc/36/69/22/661366922.db2.gz BVXPTVNJNXNTFN-FUHWJXTLSA-N 1 0 380.282 2.820 20 0 GFADRO C[C@H]([NH2+]C[C@@H](O)c1cccc(Br)c1)[C@H](O)c1ccc2c(c1)OCO2 ZINC000843085993 661367199 /nfs/dbraw/zinc/36/71/99/661367199.db2.gz FETMASHBVAXGDH-POHZPAGDSA-N 1 0 394.265 2.923 20 0 GFADRO Cc1ccccc1OC[C@@H](O)C[NH2+]C[C@H](O)c1ccccc1Br ZINC000843097409 661367774 /nfs/dbraw/zinc/36/77/74/661367774.db2.gz ZCHWKFPJWTYMCB-YOEHRIQHSA-N 1 0 380.282 2.820 20 0 GFADRO OC[C@H](C[C@H](O)c1ccccc1)[NH2+]C[C@H](O)c1ccc(F)c(Br)c1 ZINC000843106691 661368291 /nfs/dbraw/zinc/36/82/91/661368291.db2.gz KVJNXYQTDKQFSE-WBAXXEDZSA-N 1 0 398.272 2.696 20 0 GFADRO OCC1([C@H]([NH2+]C[C@H](O)c2ccccc2Br)C2CC2)CCOCC1 ZINC000843115756 661369371 /nfs/dbraw/zinc/36/93/71/661369371.db2.gz RRTFXVKODAPDPO-DLBZAZTESA-N 1 0 384.314 2.640 20 0 GFADRO OCC1([C@H]([NH2+]C[C@@H](O)c2ccccc2Br)[C@H]2CCCO2)CCC1 ZINC000843119221 661370090 /nfs/dbraw/zinc/37/00/90/661370090.db2.gz RPSGWMNCVQDKEI-BRWVUGGUSA-N 1 0 384.314 2.782 20 0 GFADRO CC(C)[C@@H]([NH3+])c1noc(Cc2ccc(S(=O)(=O)N3CCCCC3)s2)n1 ZINC000843149585 661370808 /nfs/dbraw/zinc/37/08/08/661370808.db2.gz BSPOJFRKLFYQJT-OAHLLOKOSA-N 1 0 384.527 2.552 20 0 GFADRO CC(C)[C@@H]([NH3+])c1noc(-c2ccc3ncc(I)n3c2)n1 ZINC000843154102 661370990 /nfs/dbraw/zinc/37/09/90/661370990.db2.gz LHRVOPXJUSUGMZ-LLVKDONJSA-N 1 0 383.193 2.645 20 0 GFADRO O=S(=O)(Cc1noc(C[C@@H]2CCC[NH2+]2)n1)c1cc(Cl)ccc1Cl ZINC000843201359 661371917 /nfs/dbraw/zinc/37/19/17/661371917.db2.gz ZXVQICNYRNPQBP-JTQLQIEISA-N 1 0 376.265 2.645 20 0 GFADRO O=c1[nH]c(Cc2noc(C[NH2+]CC3CC3)n2)nc2ccc(Br)cc12 ZINC000843201368 661371997 /nfs/dbraw/zinc/37/19/97/661371997.db2.gz REVLNYWXMBUNDS-UHFFFAOYSA-N 1 0 390.241 2.571 20 0 GFADRO Cc1c(-c2nc(-c3ccccc3Br)no2)nnn1C1CC[NH2+]CC1 ZINC000843210523 661372928 /nfs/dbraw/zinc/37/29/28/661372928.db2.gz UTYJSBQAJZPLPB-UHFFFAOYSA-N 1 0 389.257 2.991 20 0 GFADRO O=C(Cc1noc(CC[C@H]2CC[NH2+]C2)n1)Nc1ccccc1Br ZINC000843218978 661373416 /nfs/dbraw/zinc/37/34/16/661373416.db2.gz NPBXNRINRXGCQT-NSHDSACASA-N 1 0 379.258 2.555 20 0 GFADRO C[C@@H](NC(=O)Cc1noc([C@]2(F)CC[NH2+]C2)n1)c1ccc(Cl)cc1Cl ZINC000843226244 661373964 /nfs/dbraw/zinc/37/39/64/661373964.db2.gz VTHMFAAXBQQFQK-ABKXIKBNSA-N 1 0 387.242 2.954 20 0 GFADRO CSc1ccc(I)c(-c2noc(C[C@H](C)[NH3+])n2)c1 ZINC000843242087 661374679 /nfs/dbraw/zinc/37/46/79/661374679.db2.gz VRBSTOIZCLEJJI-ZETCQYMHSA-N 1 0 375.235 2.953 20 0 GFADRO C[C@@H]1CN(Cc2cc(Br)cnc2Cl)CC[N@@H+]1CC(C)(C)O ZINC000843404967 661379854 /nfs/dbraw/zinc/37/98/54/661379854.db2.gz PUIIWCMWLNGBRR-LLVKDONJSA-N 1 0 376.726 2.775 20 0 GFADRO CCCN(C(=O)/C=C\c1ccc(I)o1)C1CC[NH2+]CC1 ZINC000843450050 661381729 /nfs/dbraw/zinc/38/17/29/661381729.db2.gz IYCMPXSAUKNSPW-XQRVVYSFSA-N 1 0 388.249 2.888 20 0 GFADRO C[N@@H+]1C[C@@H](CNC(=O)c2scnc2Br)[C@H](c2ccccc2)C1 ZINC000844048444 661401764 /nfs/dbraw/zinc/40/17/64/661401764.db2.gz CLYLAZIVOKRCLE-OLZOCXBDSA-N 1 0 380.311 2.981 20 0 GFADRO C[NH+]1CCC2(CC1)CN(C(=O)c1cccnc1SC(F)(F)F)CCO2 ZINC000844097318 661404268 /nfs/dbraw/zinc/40/42/68/661404268.db2.gz QKUJFYKQOKDRCH-UHFFFAOYSA-N 1 0 375.416 2.630 20 0 GFADRO Cc1nc(SC(F)F)sc1CC(=O)N1CCOC2(CC[NH+](C)CC2)C1 ZINC000844093392 661404416 /nfs/dbraw/zinc/40/44/16/661404416.db2.gz DMJKVCWHLVRMLX-UHFFFAOYSA-N 1 0 391.509 2.632 20 0 GFADRO CC(C)(C)OC(=O)[C@@H]1CC(=O)N(C2CC[NH+](C[C@@H]3CC3(Cl)Cl)CC2)C1 ZINC000844361955 661417418 /nfs/dbraw/zinc/41/74/18/661417418.db2.gz VWVPLBGDFNUJPN-OLZOCXBDSA-N 1 0 391.339 2.835 20 0 GFADRO CC(C)NC(=O)CNC(=S)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000844587019 661429151 /nfs/dbraw/zinc/42/91/51/661429151.db2.gz HRBOODWVONDKRR-UHFFFAOYSA-N 1 0 380.583 2.686 20 0 GFADRO COC[C@@H]1CCC[N@H+](CN2CC(c3ccc(Br)cc3)=CC2=O)C1 ZINC000844693362 661434266 /nfs/dbraw/zinc/43/42/66/661434266.db2.gz YCEGAVRBHUEUPS-CQSZACIVSA-N 1 0 379.298 2.991 20 0 GFADRO CO[C@@H]1CC[N@H+](CN2CC(c3ccc(Br)cc3)=CC2=O)C[C@@H]1C ZINC000844709091 661436556 /nfs/dbraw/zinc/43/65/56/661436556.db2.gz PUAWWJKUOUEXGM-SUMWQHHRSA-N 1 0 379.298 2.989 20 0 GFADRO C[C@@H]1CN(C(=O)c2snc(Cl)c2Cl)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000845904258 661505213 /nfs/dbraw/zinc/50/52/13/661505213.db2.gz PQVSAELWKWXGAG-MNOVXSKESA-N 1 0 377.341 2.548 20 0 GFADRO C[C@@H]1CN(C(=O)c2snc(Cl)c2Cl)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000845904257 661505431 /nfs/dbraw/zinc/50/54/31/661505431.db2.gz PQVSAELWKWXGAG-GHMZBOCLSA-N 1 0 377.341 2.548 20 0 GFADRO CS/C=C\C(=O)NCCN(CC[NH+]1CCCCCC1)C(=O)/C=C\SC ZINC000846143723 661534290 /nfs/dbraw/zinc/53/42/90/661534290.db2.gz GGBVBZTXZIJVML-DUGOVBPYSA-N 1 0 385.599 2.561 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(C(=O)Nc3ncc(C(F)(F)F)s3)C2)C1 ZINC000846307440 661544214 /nfs/dbraw/zinc/54/42/14/661544214.db2.gz BJHFOBJTNGQGCM-MXWKQRLJSA-N 1 0 378.420 2.912 20 0 GFADRO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCN(C(=O)Nc3ccc(Br)nc3)C2)C1 ZINC000846305580 661544248 /nfs/dbraw/zinc/54/42/48/661544248.db2.gz BWRXGIUYEFFYFZ-OUCADQQQSA-N 1 0 383.290 2.594 20 0 GFADRO C[C@@H]1CCCN(C(=O)/C=C\c2ccc(I)o2)[C@@H]1CC[NH3+] ZINC000846695173 661562103 /nfs/dbraw/zinc/56/21/03/661562103.db2.gz SVDCWPDXAONEMG-HHQZKXIDSA-N 1 0 388.249 2.873 20 0 GFADRO C[NH+](C)C1(CNC(=O)C(=O)NCC[C@]2(C)C[C@@]2(F)Cl)CCCCCC1 ZINC000846724039 661562799 /nfs/dbraw/zinc/56/27/99/661562799.db2.gz PWYTZNCOKLYKPE-AEFFLSMTSA-N 1 0 375.916 2.578 20 0 GFADRO C[NH+](C)C1(CNC(=O)C(=O)NCC[C@@]2(C)C[C@@]2(F)Cl)CCCCCC1 ZINC000846724049 661562844 /nfs/dbraw/zinc/56/28/44/661562844.db2.gz PWYTZNCOKLYKPE-WMZOPIPTSA-N 1 0 375.916 2.578 20 0 GFADRO C[N@H+](Cc1ccc(Br)o1)C[C@]1(O)CCN(C(=O)OC(C)(C)C)C1 ZINC000846764465 661564676 /nfs/dbraw/zinc/56/46/76/661564676.db2.gz GXWGZKIKFOZUGK-MRXNPFEDSA-N 1 0 389.290 2.846 20 0 GFADRO O=C1NC(=O)[C@]2(CCC[N@@H+](Cc3cc4cc(Cl)ccc4nc3Cl)C2)N1 ZINC000846880025 661568697 /nfs/dbraw/zinc/56/86/97/661568697.db2.gz OZBQQWNUOIJAMF-QGZVFWFLSA-N 1 0 379.247 2.716 20 0 GFADRO Cc1cc(Br)ncc1NC(=O)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000847164504 661578346 /nfs/dbraw/zinc/57/83/46/661578346.db2.gz GVIHEOCMXZWFNO-AWEZNQCLSA-N 1 0 397.317 2.871 20 0 GFADRO Cc1cnc(Br)c(NC(=O)N2CCC[C@@H]([NH+]3CCOCC3)CC2)c1 ZINC000847189367 661580925 /nfs/dbraw/zinc/58/09/25/661580925.db2.gz QXEJOTCMFICYTM-CQSZACIVSA-N 1 0 397.317 2.871 20 0 GFADRO O=C(NC1CC[NH+](Cc2ccccn2)CC1)c1cnc(F)c(Br)c1 ZINC000847352660 661588521 /nfs/dbraw/zinc/58/85/21/661588521.db2.gz JCSHCGKZUSATDC-UHFFFAOYSA-N 1 0 393.260 2.773 20 0 GFADRO Cc1nc(Cl)c(Cl)cc1C(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000847463922 661593368 /nfs/dbraw/zinc/59/33/68/661593368.db2.gz NRWQCBAPBGWIEJ-CQSZACIVSA-N 1 0 385.339 2.939 20 0 GFADRO C[NH+](C)[C@]1(CNC(=O)c2cnc(Cl)c(Br)c2)CCSC1 ZINC000847547986 661596588 /nfs/dbraw/zinc/59/65/88/661596588.db2.gz XOZYJWBCVLQDBT-ZDUSSCGKSA-N 1 0 378.723 2.665 20 0 GFADRO CCO[C@@H](CC[NH+](C)C)CNC(=O)c1cnc(Cl)c(Br)c1 ZINC000847555776 661597709 /nfs/dbraw/zinc/59/77/09/661597709.db2.gz HLIZLYMUVRAQNU-NSHDSACASA-N 1 0 378.698 2.584 20 0 GFADRO Cc1nc(Cl)c(Cl)cc1C(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000847630345 661602737 /nfs/dbraw/zinc/60/27/37/661602737.db2.gz GUHYOZRKHZTRBC-WBMJQRKESA-N 1 0 385.339 2.795 20 0 GFADRO C[N@@H+]1CC[C@H](CCOC(=O)[C@H]2CC(=O)N(c3ccccc3Br)C2)C1 ZINC000847825027 661612344 /nfs/dbraw/zinc/61/23/44/661612344.db2.gz PWUOIZQNWDLFLZ-KGLIPLIRSA-N 1 0 395.297 2.687 20 0 GFADRO C[C@@H](NC(=O)c1ccc(Br)s1)C(=O)OCC[C@H]1CC[N@H+](C)C1 ZINC000847824971 661612398 /nfs/dbraw/zinc/61/23/98/661612398.db2.gz PPDHPXYJSZILLY-GHMZBOCLSA-N 1 0 389.315 2.514 20 0 GFADRO O=C1O[C@@H](C[NH2+]Cc2cc(Br)c3c(c2)OCCCO3)CN1C1CC1 ZINC000848578223 661666583 /nfs/dbraw/zinc/66/65/83/661666583.db2.gz OOBUIKCIAKBCCX-ZDUSSCGKSA-N 1 0 397.269 2.683 20 0 GFADRO Cc1ccc(CNC(=[NH2+])NC[C@H](O)COc2ccccc2Br)cc1 ZINC000849096242 661691557 /nfs/dbraw/zinc/69/15/57/661691557.db2.gz MMMMJBHREIYRNR-HNNXBMFYSA-N 1 0 392.297 2.811 20 0 GFADRO CCOC(=O)N1CCC(NC(=[NH2+])NCCc2cccc(Br)c2)CC1 ZINC000849116808 661693047 /nfs/dbraw/zinc/69/30/47/661693047.db2.gz XSJJSNCZIJDXCW-UHFFFAOYSA-N 1 0 397.317 2.726 20 0 GFADRO COc1ccc(Br)cc1C[C@@H](CO)CNC(=[NH2+])N1CCCCC1 ZINC000849117006 661693058 /nfs/dbraw/zinc/69/30/58/661693058.db2.gz PIEDUALGJBPELZ-CYBMUJFWSA-N 1 0 384.318 2.619 20 0 GFADRO COc1ccc(Br)cc1C[C@H](CO)CNC(=[NH2+])N1CCCCC1 ZINC000849117007 661693262 /nfs/dbraw/zinc/69/32/62/661693262.db2.gz PIEDUALGJBPELZ-ZDUSSCGKSA-N 1 0 384.318 2.619 20 0 GFADRO Cc1c(Br)cccc1C[C@@H](CO)CNC(=[NH2+])Nc1ccccn1 ZINC000849117307 661693634 /nfs/dbraw/zinc/69/36/34/661693634.db2.gz ZCPLHXKASGCIIY-CYBMUJFWSA-N 1 0 377.286 2.940 20 0 GFADRO O[C@H](C[NH2+]C[C@]12OCCC[C@H]1C2(F)F)COc1cccc(Br)c1 ZINC000849330181 661706198 /nfs/dbraw/zinc/70/61/98/661706198.db2.gz LAJGBECBLLXVEQ-YUELXQCFSA-N 1 0 392.240 2.593 20 0 GFADRO O=C1N[C@@H](c2ccccc2Br)C(=O)N1C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000849351151 661708243 /nfs/dbraw/zinc/70/82/43/661708243.db2.gz CLLLVJABMXYJET-ABAIWWIYSA-N 1 0 378.270 2.526 20 0 GFADRO O=C1N[C@H](c2ccccc2Br)C(=O)N1[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000849352612 661708432 /nfs/dbraw/zinc/70/84/32/661708432.db2.gz XKFNNNYGQNZIBM-YWPYICTPSA-N 1 0 378.270 2.669 20 0 GFADRO Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)Nc2cccc(Br)c2)cn1 ZINC000849483608 661733410 /nfs/dbraw/zinc/73/34/10/661733410.db2.gz ZERRCNOGKGNOEZ-JKSUJKDBSA-N 1 0 377.286 2.857 20 0 GFADRO CCOc1ccc(C[NH2+]CC2CCN(S(=O)(=O)C(F)F)CC2)c(C)c1 ZINC000850134542 661765942 /nfs/dbraw/zinc/76/59/42/661765942.db2.gz CRXFRQTVZBOAGA-UHFFFAOYSA-N 1 0 376.469 2.748 20 0 GFADRO CCOc1c(Br)cc(C[NH2+]CCN(C)C(=O)OC)cc1OC ZINC000850388941 661773888 /nfs/dbraw/zinc/77/38/88/661773888.db2.gz PNWNRLHOMOESSI-UHFFFAOYSA-N 1 0 375.263 2.644 20 0 GFADRO CCc1noc(C)c1[C@H](C)[NH2+]CCNC(=O)c1ccc(Br)cn1 ZINC000850493180 661779280 /nfs/dbraw/zinc/77/92/80/661779280.db2.gz HSWRSLMQCWZECS-JTQLQIEISA-N 1 0 381.274 2.784 20 0 GFADRO C[C@@H](CC(=O)Nc1cccnc1Cl)[NH2+]CC1(S(C)(=O)=O)CCCCC1 ZINC000850533008 661781152 /nfs/dbraw/zinc/78/11/52/661781152.db2.gz ZMTQEGUUYZPFLX-ZDUSSCGKSA-N 1 0 387.933 2.789 20 0 GFADRO CCC[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2ccccc2SC(F)(F)F)C1 ZINC000850681420 661785391 /nfs/dbraw/zinc/78/53/91/661785391.db2.gz GATSZNIFFVIKTA-NSHDSACASA-N 1 0 375.416 2.838 20 0 GFADRO CC[NH+](CC)Cc1cccc(NC(=O)C(=O)NCCC2SCCS2)c1 ZINC000850702518 661787468 /nfs/dbraw/zinc/78/74/68/661787468.db2.gz OECNIWULEQVALD-UHFFFAOYSA-N 1 0 381.567 2.779 20 0 GFADRO CN(CC(C)(C)[NH3+])C(=O)Nc1cnc(Br)c(Br)c1 ZINC000850730895 661788846 /nfs/dbraw/zinc/78/88/46/661788846.db2.gz XDDRLWKUWQJRHH-UHFFFAOYSA-N 1 0 380.084 2.808 20 0 GFADRO CC(C)(C)n1ncc(C(=O)Nc2ccc(OCC[NH3+])cc2)c1Br ZINC000851633988 661826954 /nfs/dbraw/zinc/82/69/54/661826954.db2.gz AIKVZDOUKRDUEY-UHFFFAOYSA-N 1 0 381.274 2.990 20 0 GFADRO [NH3+]CCC[C@H](NC(=O)N1CCn2ncc(Br)c2C1)c1ccccc1 ZINC000851666406 661827980 /nfs/dbraw/zinc/82/79/80/661827980.db2.gz HGRANVYBBSFBOR-HNNXBMFYSA-N 1 0 392.301 2.651 20 0 GFADRO CCOP(=O)(OCC)[C@@H](O)C[N@@H+]1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000851804493 661833192 /nfs/dbraw/zinc/83/31/92/661833192.db2.gz RCPGFKIVMIHWGD-UONOGXRCSA-N 1 0 380.422 2.512 20 0 GFADRO COC(CC[N@@H+]1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1)OC ZINC000851825992 661835465 /nfs/dbraw/zinc/83/54/65/661835465.db2.gz XICFFJJOULSAGI-GFCCVEGCSA-N 1 0 386.290 2.504 20 0 GFADRO C[C@@H]([NH2+]C[C@@H](O)c1ccccn1)c1cc2c(cc1Br)OCCO2 ZINC000851896825 661844849 /nfs/dbraw/zinc/84/48/49/661844849.db2.gz MJAVABHABUWJRN-IAQYHMDHSA-N 1 0 379.254 3.000 20 0 GFADRO Cc1ccc(N(C)[C@H]2CCC[N@H+](CCn3cnc(Br)n3)C2)cc1 ZINC000851922055 661845920 /nfs/dbraw/zinc/84/59/20/661845920.db2.gz AASOPFHJHKCEGC-INIZCTEOSA-N 1 0 378.318 2.950 20 0 GFADRO CC[C@H]1CN(CCn2cnc(Br)n2)CC[N@@H+]1Cc1ccccc1 ZINC000851935383 661846318 /nfs/dbraw/zinc/84/63/18/661846318.db2.gz CGZASOLOOQNYRT-INIZCTEOSA-N 1 0 378.318 2.637 20 0 GFADRO COC(=O)N1CCC[C@@H]([C@@H](C)[NH2+]Cc2cc(Br)cnc2OC)C1 ZINC000851950434 661846914 /nfs/dbraw/zinc/84/69/14/661846914.db2.gz PBEUNKARIAKLLR-VXGBXAGGSA-N 1 0 386.290 2.809 20 0 GFADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)N1CCc2ccc(Cl)c(Cl)c2C1 ZINC000852062242 661851110 /nfs/dbraw/zinc/85/11/10/661851110.db2.gz BEJHMMUFQMYHSE-ZIAGYGMSSA-N 1 0 384.307 2.924 20 0 GFADRO O=C(NCCCCC[NH+]1CCCCC1)N1CCn2ncc(Br)c2C1 ZINC000852091149 661852424 /nfs/dbraw/zinc/85/24/24/661852424.db2.gz WJQOAYDBJQXPGO-UHFFFAOYSA-N 1 0 398.349 2.827 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)N1CCn2ncc(Br)c2C1)C1CCCCC1 ZINC000852110605 661853046 /nfs/dbraw/zinc/85/30/46/661853046.db2.gz QTXVGAKVGQCHKH-OAHLLOKOSA-N 1 0 398.349 2.681 20 0 GFADRO CCOP(=O)(OCC)[C@@H](O)C[N@H+](C)C1CCN(CC(F)(F)F)CC1 ZINC000852148267 661854578 /nfs/dbraw/zinc/85/45/78/661854578.db2.gz SAXDDCRBIIDEEK-CYBMUJFWSA-N 1 0 376.356 2.529 20 0 GFADRO CO[C@@H](C[N@@H+]1CC[C@@]2(C)[C@@H](C1)C2(Br)Br)[C@H]1CCOC1 ZINC000852334990 661860747 /nfs/dbraw/zinc/86/07/47/661860747.db2.gz DIYHLPJHSZDWAI-RVMXOQNASA-N 1 0 397.151 2.866 20 0 GFADRO C[NH2+]CCC1CCN(C(=O)[C@@]2(C)CC2(Br)Br)CC1 ZINC000852874296 661876095 /nfs/dbraw/zinc/87/60/95/661876095.db2.gz JZLWALAFBKSPHW-GFCCVEGCSA-N 1 0 382.140 2.731 20 0 GFADRO [NH3+]CC[C@@H]1CCCN(C(=O)c2cnn(-c3ccccc3)c2Br)C1 ZINC000852877734 661876207 /nfs/dbraw/zinc/87/62/07/661876207.db2.gz KBGXGTRLUHCRPN-ZDUSSCGKSA-N 1 0 377.286 2.836 20 0 GFADRO S=C(NCc1ccc(Br)cc1)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000853030606 661879182 /nfs/dbraw/zinc/87/91/82/661879182.db2.gz YWLHKPLPDHVJCH-MRXNPFEDSA-N 1 0 398.370 2.667 20 0 GFADRO Cc1cc(N2CC[C@H]([NH2+]C[C@H](O)c3ccccn3)C2=O)ccc1Br ZINC000853105772 661882527 /nfs/dbraw/zinc/88/25/27/661882527.db2.gz WQIYXBKSUGISMG-IRXDYDNUSA-N 1 0 390.281 2.581 20 0 GFADRO CC(C)(C)OC(=O)NC[C@](C)(O)C[NH2+]C[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC000853117106 661882877 /nfs/dbraw/zinc/88/28/77/661882877.db2.gz PCINQELSMFUMBK-RHSMWYFYSA-N 1 0 393.311 2.892 20 0 GFADRO CN(CC(=O)O[C@@H](C[NH+](C)C)c1cc(F)c(F)c(F)c1)[C@@H]1CCSC1 ZINC000853214186 661885151 /nfs/dbraw/zinc/88/51/51/661885151.db2.gz XTTPJOGAZIKVDO-DOMZBBRYSA-N 1 0 376.444 2.687 20 0 GFADRO COC(=O)c1sc(NCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)nc1Cl ZINC000853796018 661901379 /nfs/dbraw/zinc/90/13/79/661901379.db2.gz RYNAEPIEOGXRCP-ZDUSSCGKSA-N 1 0 381.885 2.762 20 0 GFADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)N1CC(O)(c2ccc(Br)cc2)C1 ZINC000853854473 661904223 /nfs/dbraw/zinc/90/42/23/661904223.db2.gz TXQZWEGXIVEDLC-INIZCTEOSA-N 1 0 396.329 2.536 20 0 GFADRO CC(=O)N1CCC[C@@H](c2noc(-c3sc4c(c3Br)C[NH2+]C4)n2)C1 ZINC000854140195 661916173 /nfs/dbraw/zinc/91/61/73/661916173.db2.gz CTIKAUNPWNRYGU-SECBINFHSA-N 1 0 397.298 2.890 20 0 GFADRO CN(C[C@H](O)c1ccccc1Br)C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000854313643 661924312 /nfs/dbraw/zinc/92/43/12/661924312.db2.gz ZKKPEDGUYWLOER-CJNGLKHVSA-N 1 0 398.345 2.997 20 0 GFADRO CC(C)C[C@H](NC(=O)C[C@@]1(C)CC1(Cl)Cl)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000854633859 661944563 /nfs/dbraw/zinc/94/45/63/661944563.db2.gz YOZFPZWHEZPAJJ-ZQIUZPCESA-N 1 0 392.371 2.654 20 0 GFADRO Cc1ccc(-n2nc(Br)cc2C(=O)N2CC(C[NH+](C)C)C2)cc1 ZINC000854725089 661951758 /nfs/dbraw/zinc/95/17/58/661951758.db2.gz YYAHRNFXKCUHSY-UHFFFAOYSA-N 1 0 377.286 2.577 20 0 GFADRO C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@]1(C)CC1(Br)Br)C2 ZINC000854734810 661952489 /nfs/dbraw/zinc/95/24/89/661952489.db2.gz DLETWJMKWMGJEH-STQMWFEESA-N 1 0 394.151 2.827 20 0 GFADRO CC[NH+]1CCC(N2CCCN(C(=O)CC[C@H]3CC3(Cl)Cl)CC2)CC1 ZINC000854963838 661963363 /nfs/dbraw/zinc/96/33/63/661963363.db2.gz SCQXTAFQTNZOEU-HNNXBMFYSA-N 1 0 376.372 2.979 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)COc1ccc(C=O)cc1Br ZINC000855163588 661974184 /nfs/dbraw/zinc/97/41/84/661974184.db2.gz DHHVCCACVSAZOR-CYBMUJFWSA-N 1 0 383.286 2.629 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)[C@]2(C)CC2(Br)Br)C1 ZINC000855286738 661983052 /nfs/dbraw/zinc/98/30/52/661983052.db2.gz WPUUTNUCBHXADP-SKDRFNHKSA-N 1 0 382.140 2.872 20 0 GFADRO Cn1nc(C(=O)N2CC[C@H]([N@H+](C)CCc3ccccc3)C2)cc1Br ZINC000855734165 662005712 /nfs/dbraw/zinc/00/57/12/662005712.db2.gz WVSYZCPCRHQUQW-HNNXBMFYSA-N 1 0 391.313 2.572 20 0 GFADRO CCC[N@@H+]1CC[C@@H](NC(=O)c2nc(Br)ccc2Br)C1 ZINC000856073716 662018345 /nfs/dbraw/zinc/01/83/45/662018345.db2.gz VZPVSYQFQBJXNO-SECBINFHSA-N 1 0 391.107 2.821 20 0 GFADRO C[NH+](C)C[C@H]1COC2(CCCC2)CN1C(=O)c1cccnc1Br ZINC000856410257 662032448 /nfs/dbraw/zinc/03/24/48/662032448.db2.gz IIPLBNXUPPWSEN-ZDUSSCGKSA-N 1 0 382.302 2.560 20 0 GFADRO O=C(NC[C@@H]1CCC[N@H+](CC2CC2)C1)C(=O)c1ccc(Br)s1 ZINC000856476496 662035352 /nfs/dbraw/zinc/03/53/52/662035352.db2.gz XREQWFANOLCQJO-LBPRGKRZSA-N 1 0 385.327 2.932 20 0 GFADRO COC(=O)N1CCC[C@@H]([C@@H](C)[NH2+]Cc2cc(OC)ncc2Br)C1 ZINC000856735882 662039902 /nfs/dbraw/zinc/03/99/02/662039902.db2.gz GELZBPUJVFNHBP-VXGBXAGGSA-N 1 0 386.290 2.809 20 0 GFADRO O=C(NCC[C@H]1CC1(Cl)Cl)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000856830220 662046373 /nfs/dbraw/zinc/04/63/73/662046373.db2.gz IGMYAPZNUWRXOG-AWEZNQCLSA-N 1 0 378.344 2.905 20 0 GFADRO O=S(=O)(Cc1noc(CC[C@@H]2CCC[NH2+]C2)n1)Cc1ccc(Cl)cc1 ZINC000857253024 662070531 /nfs/dbraw/zinc/07/05/31/662070531.db2.gz KGMHBGJQJMQXFL-ZDUSSCGKSA-N 1 0 383.901 2.770 20 0 GFADRO Cc1cncn1CC(=O)N1C[C@@H]([NH+](C)C)CCc2cc(Br)ccc21 ZINC000857880281 662093162 /nfs/dbraw/zinc/09/31/62/662093162.db2.gz FNWNQAGTUPWLBK-INIZCTEOSA-N 1 0 391.313 2.864 20 0 GFADRO COCO[C@H](C)c1cc(F)c(C[NH2+]CCC(=O)N(C)C)cc1Br ZINC000858117737 662099523 /nfs/dbraw/zinc/09/95/23/662099523.db2.gz ZFYANXGINIGWIV-LLVKDONJSA-N 1 0 391.281 2.838 20 0 GFADRO CNC(=O)CCC[NH2+]Cc1cc(Br)c([C@H](C)OCOC)cc1F ZINC000858114332 662099538 /nfs/dbraw/zinc/09/95/38/662099538.db2.gz FOOVOAMBQNYSOG-NSHDSACASA-N 1 0 391.281 2.886 20 0 GFADRO Cn1cc(CNC[C@@H]2CC[N@H+](CCc3ccccc3)C2)c(Br)n1 ZINC000858123573 662099702 /nfs/dbraw/zinc/09/97/02/662099702.db2.gz DUQUHJCHFBBJNN-INIZCTEOSA-N 1 0 377.330 2.837 20 0 GFADRO COc1ccc(Br)c(C(=O)NCCC[NH2+]Cc2ccnc(F)c2)c1 ZINC000858133419 662100365 /nfs/dbraw/zinc/10/03/65/662100365.db2.gz VWDLISOVRDWOQJ-UHFFFAOYSA-N 1 0 396.260 2.902 20 0 GFADRO Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1C[NH2+]CCN1CC[C@H](O)C1 ZINC000858339267 662109179 /nfs/dbraw/zinc/10/91/79/662109179.db2.gz UTVXBSIJJZRMNM-INIZCTEOSA-N 1 0 383.323 2.703 20 0 GFADRO C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+]Cc1c(C(F)(F)F)cnn1C ZINC000858453246 662111731 /nfs/dbraw/zinc/11/17/31/662111731.db2.gz QZXDJTLNAQIMQW-SECBINFHSA-N 1 0 375.782 2.994 20 0 GFADRO C[C@]12C[NH2+]C[C@@]1(C)CN(S(=O)(=O)/C=C/c1ccccc1Br)C2 ZINC000858636509 662117595 /nfs/dbraw/zinc/11/75/95/662117595.db2.gz OAVYFAAJLLLXRL-COAGQGPPSA-N 1 0 385.327 2.681 20 0 GFADRO C[C@@H]([NH3+])CN(C)S(=O)(=O)c1csc(-c2ccc(Br)cc2)n1 ZINC000858642794 662117867 /nfs/dbraw/zinc/11/78/67/662117867.db2.gz QMWFRQPPPWHXME-SECBINFHSA-N 1 0 390.328 2.540 20 0 GFADRO C[N@@H+]1CCCC[C@H](CNC(=O)N[C@@H](CO)c2ccc(Br)cc2)C1 ZINC000858767015 662122274 /nfs/dbraw/zinc/12/22/74/662122274.db2.gz YXSZPPVQBILMBQ-CJNGLKHVSA-N 1 0 384.318 2.514 20 0 GFADRO O=C(CCNC(=O)c1ccc(Br)cc1)OCC[NH+]1CCCCC1 ZINC000858975901 662130301 /nfs/dbraw/zinc/13/03/01/662130301.db2.gz YUYPVHSOZIXOGK-UHFFFAOYSA-N 1 0 383.286 2.598 20 0 GFADRO COC(=O)C[C@@H]([NH2+][C@@H]1CCc2cc(Br)ccc2NC1=O)C1CC1 ZINC000859248906 662147666 /nfs/dbraw/zinc/14/76/66/662147666.db2.gz LVFGLASGKGXFLP-HUUCEWRRSA-N 1 0 381.270 2.634 20 0 GFADRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)Nc1cnc(Br)c(Br)c1 ZINC000859660886 662171500 /nfs/dbraw/zinc/17/15/00/662171500.db2.gz UMGZIOQMMNGRJX-VHSXEESVSA-N 1 0 392.095 2.869 20 0 GFADRO O=C(Nc1ncc(C(F)(F)F)s1)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000859683323 662172225 /nfs/dbraw/zinc/17/22/25/662172225.db2.gz YPHAVKADJNYEPQ-NSHDSACASA-N 1 0 378.420 2.784 20 0 GFADRO C[NH+](C)CCCOC1CCN(C(=O)c2cc(Br)cc(C=O)c2)CC1 ZINC000859881644 662177639 /nfs/dbraw/zinc/17/76/39/662177639.db2.gz FDOCGUSFWKOGSA-UHFFFAOYSA-N 1 0 397.313 2.835 20 0 GFADRO O=C(C[N@@H+]1C[C@@H]2COC(=O)[C@@H]2C1)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000860160289 662191751 /nfs/dbraw/zinc/19/17/51/662191751.db2.gz OYYIZGZKTRDPKP-XJKCOSOUSA-N 1 0 383.275 2.762 20 0 GFADRO CC1([NH+]2CCOCC2)CCN(C(=O)Nc2cccnc2Br)CC1 ZINC000860797707 662216027 /nfs/dbraw/zinc/21/60/27/662216027.db2.gz DESCESKVQRSADT-UHFFFAOYSA-N 1 0 383.290 2.563 20 0 GFADRO CC1([NH+]2CCOCC2)CCN(C(=O)Nc2cccc(Br)n2)CC1 ZINC000860937263 662221292 /nfs/dbraw/zinc/22/12/92/662221292.db2.gz XHRWJDKHTBRMNQ-UHFFFAOYSA-N 1 0 383.290 2.563 20 0 GFADRO COCC[N@@H+]1CCC[C@H]1COC(=O)c1cc(OC)c(Br)s1 ZINC000861034935 662225079 /nfs/dbraw/zinc/22/50/79/662225079.db2.gz MNWGPWXXSUYYSZ-JTQLQIEISA-N 1 0 378.288 2.787 20 0 GFADRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)c1ccc(SC(F)(F)F)nc1 ZINC000861171222 662232235 /nfs/dbraw/zinc/23/22/35/662232235.db2.gz FHCVKYHITVGMJO-NSHDSACASA-N 1 0 377.432 2.611 20 0 GFADRO CO[C@@H]1C[N@H+](C)[C@](C)(COC(=O)[C@@H](C)Oc2ccccc2Br)C1 ZINC000861346082 662241342 /nfs/dbraw/zinc/24/13/42/662241342.db2.gz CRTDYTVHLOPYIR-IGCXYCKISA-N 1 0 386.286 2.869 20 0 GFADRO CO[C@@H]1C[N@H+](C)[C@@](C)(COC(=O)Cc2c(F)ccc(Br)c2F)C1 ZINC000861353113 662242062 /nfs/dbraw/zinc/24/20/62/662242062.db2.gz QLEQYDBUJBOYDX-MGPLVRAMSA-N 1 0 392.240 2.922 20 0 GFADRO CO[C@@H]1C[N@H+](C)[C@](C)(COC(=O)Cc2sc(SC(F)F)nc2C)C1 ZINC000861354147 662242194 /nfs/dbraw/zinc/24/21/94/662242194.db2.gz XEEKWBMRJZBFGP-BONVTDFDSA-N 1 0 380.482 2.961 20 0 GFADRO CO[C@@H]1C[N@H+](C)[C@@](C)(COC(=O)[C@H]2CCOc3ccc(Br)cc32)C1 ZINC000861356700 662242468 /nfs/dbraw/zinc/24/24/68/662242468.db2.gz NWZYZZDUHBCKCH-SUNYJGFJSA-N 1 0 398.297 2.968 20 0 GFADRO CCCOC[C@H](Cc1cccc(Br)c1)NC(=O)N(C)C[C@@H](C)[NH3+] ZINC000861618095 662251584 /nfs/dbraw/zinc/25/15/84/662251584.db2.gz PLQTYBVPIWOUOJ-CJNGLKHVSA-N 1 0 386.334 2.775 20 0 GFADRO C[C@@H]1CC[C@@H](NC(=O)N2CCO[C@H](c3ccccc3Br)C2)C[NH2+]1 ZINC000861685652 662254939 /nfs/dbraw/zinc/25/49/39/662254939.db2.gz JCADPPZYEHIREI-IOASZLSFSA-N 1 0 382.302 2.673 20 0 GFADRO O=C(N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1)C(F)(F)c1cc(Cl)ccc1Cl ZINC000861719978 662256173 /nfs/dbraw/zinc/25/61/73/662256173.db2.gz RJAVXSQWTOOAQI-RYUDHWBXSA-N 1 0 379.234 2.753 20 0 GFADRO Cc1sc(Br)nc1C(=O)N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000861985732 662265716 /nfs/dbraw/zinc/26/57/16/662265716.db2.gz BBDCRMIZDMOCSK-UHFFFAOYSA-N 1 0 388.331 2.541 20 0 GFADRO CC[N@H+](C[C@@H](O)C(F)(F)F)C[C@H]1CC(F)(F)CN1C(=O)OC(C)(C)C ZINC000862332154 662280924 /nfs/dbraw/zinc/28/09/24/662280924.db2.gz FVALDJFABBQMRI-GHMZBOCLSA-N 1 0 376.366 2.876 20 0 GFADRO Cc1cc(CN2CC[NH+]([C@@H]3CCNC(=O)CC3)CC2)c(Br)cc1F ZINC000862388061 662284330 /nfs/dbraw/zinc/28/43/30/662284330.db2.gz WHLPXUNMMJDVBQ-HNNXBMFYSA-N 1 0 398.320 2.683 20 0 GFADRO C[C@H](C[C@@H](C)[NH2+]Cc1cn(C)nc1Br)NC(=O)OC(C)(C)C ZINC000862398362 662285253 /nfs/dbraw/zinc/28/52/53/662285253.db2.gz GNAJUTCRFSJNJA-GHMZBOCLSA-N 1 0 375.311 2.964 20 0 GFADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(F)(F)c1cccc(Cl)c1Cl ZINC000862648909 662296692 /nfs/dbraw/zinc/29/66/92/662296692.db2.gz LCZIURHCTRMFQD-LBPRGKRZSA-N 1 0 394.249 2.541 20 0 GFADRO CCCN(CC(=O)Nc1ccc(Cl)cc1Cl)C(=O)[C@@H](O)c1cnc[nH]1 ZINC000864869887 662389259 /nfs/dbraw/zinc/38/92/59/662389259.db2.gz TVCPSDBICLLXKM-HNNXBMFYSA-N 1 0 385.251 2.627 20 0 GFADRO O=C(Cc1ccc(Br)cc1Cl)NCCCC[NH+]1CCOCC1 ZINC000864886870 662389637 /nfs/dbraw/zinc/38/96/37/662389637.db2.gz BQDYWIBNRWYVBU-UHFFFAOYSA-N 1 0 389.721 2.874 20 0 GFADRO O=C(Cc1ccc(Br)cc1Cl)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000865060938 662396807 /nfs/dbraw/zinc/39/68/07/662396807.db2.gz UMAMURWAGQTDFA-KGLIPLIRSA-N 1 0 387.705 2.624 20 0 GFADRO O=C(NCC1([NH+]2CCCC2)CCOCC1)C(=O)c1cc(Cl)cc(Cl)c1 ZINC000865178993 662402865 /nfs/dbraw/zinc/40/28/65/662402865.db2.gz KQZSMZGOKDYPRZ-UHFFFAOYSA-N 1 0 385.291 2.937 20 0 GFADRO CCc1cc(N2CCC[C@H]([NH2+]Cc3cccnc3Br)C2)ncn1 ZINC000865459485 662422581 /nfs/dbraw/zinc/42/25/81/662422581.db2.gz HAKYYRZJVBIQFF-HNNXBMFYSA-N 1 0 376.302 2.955 20 0 GFADRO COCCc1ncc(C[NH2+]C[C@H](O)c2cc(Cl)c3c(c2)OCCO3)s1 ZINC000865470862 662423683 /nfs/dbraw/zinc/42/36/83/662423683.db2.gz NFMFFDAICNRJCG-AWEZNQCLSA-N 1 0 384.885 2.580 20 0 GFADRO Cc1ccnc(C[NH2+][C@@H]2C[C@@H](N3CCOCC3)C23CCC3)c1Br ZINC000865631443 662432921 /nfs/dbraw/zinc/43/29/21/662432921.db2.gz DWTMUCGJBVMFFH-HZPDHXFCSA-N 1 0 380.330 2.886 20 0 GFADRO O=C1CNC(=O)N1Cc1ccc(C[NH2+]Cc2csc(Br)c2)cc1 ZINC000865772887 662442336 /nfs/dbraw/zinc/44/23/36/662442336.db2.gz BNFXFLILLJRTPV-UHFFFAOYSA-N 1 0 394.294 2.852 20 0 GFADRO Cc1cc([C@@H](C)[NH2+]C[C@]23COC(=O)N2CCOC3)sc1Br ZINC000865770517 662442421 /nfs/dbraw/zinc/44/24/21/662442421.db2.gz MWTSDTVUMNKBDX-YGRLFVJLSA-N 1 0 375.288 2.691 20 0 GFADRO Cc1nn(C)c(C[NH2+]C[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)c1Br ZINC000865790556 662443878 /nfs/dbraw/zinc/44/38/78/662443878.db2.gz CBYSKFVUSFTQIT-TXEJJXNPSA-N 1 0 387.322 2.884 20 0 GFADRO C/C(=C/c1ccc(Br)o1)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000865896359 662449857 /nfs/dbraw/zinc/44/98/57/662449857.db2.gz HDXOCGWFUSIPHL-IKESIWSLSA-N 1 0 396.329 2.684 20 0 GFADRO C[C@H]1CC[N@H+](CCNC(=O)c2cc(Br)ncc2Br)C1 ZINC000866270519 662466470 /nfs/dbraw/zinc/46/64/70/662466470.db2.gz PUOFYBXWGUKTEK-VIFPVBQESA-N 1 0 391.107 2.678 20 0 GFADRO CCOC(=O)C(F)(F)[C@@H]1CC[C@@H]([NH2+]Cc2c(Br)cnn2C)C1 ZINC000866431176 662472556 /nfs/dbraw/zinc/47/25/56/662472556.db2.gz JTOWVCBBXYTTNT-NXEZZACHSA-N 1 0 380.233 2.639 20 0 GFADRO CC[C@H]([NH2+][C@H]1[C@@H]2OC[C@H]3C[C@H]1C[C@H]23)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000866446324 662473656 /nfs/dbraw/zinc/47/36/56/662473656.db2.gz UJUKDASIOBHXPX-SLRQEVPSSA-N 1 0 384.929 2.712 20 0 GFADRO O=C1OC[C@@]2(C[NH2+]C3CC(c4cccc(Br)c4)C3)COCCN12 ZINC000866521621 662478701 /nfs/dbraw/zinc/47/87/01/662478701.db2.gz OBXFGJBOONWEEW-PUJMQQBBSA-N 1 0 381.270 2.506 20 0 GFADRO O=C1OC[C@]2(C[NH2+]C3CC(c4cccc(Br)c4)C3)COCCN12 ZINC000866521620 662478712 /nfs/dbraw/zinc/47/87/12/662478712.db2.gz OBXFGJBOONWEEW-PGEKIEPBSA-N 1 0 381.270 2.506 20 0 GFADRO CNS(=O)(=O)c1ccc(CC[NH2+][C@@H](C)c2ccc(Br)cn2)cc1 ZINC000866580024 662481506 /nfs/dbraw/zinc/48/15/06/662481506.db2.gz WWYGSSCVRYQVRG-LBPRGKRZSA-N 1 0 398.326 2.646 20 0 GFADRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3cc(Br)cn4ccnc34)CC[C@@H]21 ZINC000866710935 662491162 /nfs/dbraw/zinc/49/11/62/662491162.db2.gz XZERYCDWNVAEGS-WFASDCNBSA-N 1 0 377.286 2.653 20 0 GFADRO Cc1ccc(Br)c(CS(=O)(=O)N[C@H](C)C2CC[NH2+]CC2)c1 ZINC000866811041 662500673 /nfs/dbraw/zinc/50/06/73/662500673.db2.gz ZECUVDADJLKJDP-GFCCVEGCSA-N 1 0 375.332 2.565 20 0 GFADRO C[C@H](NS(=O)(=O)c1cccc(Cl)c1Br)C1CC[NH2+]CC1 ZINC000866813691 662501360 /nfs/dbraw/zinc/50/13/60/662501360.db2.gz ZDZMNUBOGDZVOJ-VIFPVBQESA-N 1 0 381.723 2.769 20 0 GFADRO O=S(=O)(c1csc(-c2ccc(Cl)cc2)n1)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000866828598 662502384 /nfs/dbraw/zinc/50/23/84/662502384.db2.gz XDPBVKXNDPDXNC-ZIAGYGMSSA-N 1 0 383.926 2.979 20 0 GFADRO C[N@@H+]1CC[C@H]2[C@H](CCCN2S(=O)(=O)c2ccc3ccnc(Cl)c3c2)C1 ZINC000866985942 662514684 /nfs/dbraw/zinc/51/46/84/662514684.db2.gz NNGPOPFNQANPBZ-PBHICJAKSA-N 1 0 379.913 2.993 20 0 GFADRO CS[C@H]1CN(C(=O)c2nc(Br)sc2Cl)C[C@H]1[NH+](C)C ZINC000867021693 662517238 /nfs/dbraw/zinc/51/72/38/662517238.db2.gz YBBSRBNEESWATG-RQJHMYQMSA-N 1 0 384.752 2.677 20 0 GFADRO Cc1noc(-c2cc(Cl)ccc2OS(=O)(=O)CCC[NH+]2CCCC2)n1 ZINC000867132359 662525987 /nfs/dbraw/zinc/52/59/87/662525987.db2.gz ZCGJUNRCWPDMKU-UHFFFAOYSA-N 1 0 385.873 2.893 20 0 GFADRO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000867292137 662539535 /nfs/dbraw/zinc/53/95/35/662539535.db2.gz MTYKLQTVQLUNOF-XJKSGUPXSA-N 1 0 384.307 2.504 20 0 GFADRO CN(Cc1c(Cl)cccc1Cl)C(=O)C(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000867340473 662543503 /nfs/dbraw/zinc/54/35/03/662543503.db2.gz MAQKGSDJBQZHAH-WBMJQRKESA-N 1 0 384.307 2.504 20 0 GFADRO CC(=O)N[C@@H](C(=O)N[C@@H]1CCC[N@@H+](C(C)C)C1)c1cccc(Br)c1 ZINC000867456284 662551026 /nfs/dbraw/zinc/55/10/26/662551026.db2.gz AIEKPFCJWBXBTI-IAGOWNOFSA-N 1 0 396.329 2.615 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@@H](CNS(=O)(=O)c2cc3nc(Cl)ncc3s2)C1 ZINC000867497944 662554513 /nfs/dbraw/zinc/55/45/13/662554513.db2.gz XMFMZSZRQCCOSN-JTQLQIEISA-N 1 0 388.946 2.743 20 0 GFADRO C[N@@H+]1CC[C@H]2CN(S(=O)(=O)c3cc4ccc(Cl)nc4cc3F)CC[C@@H]21 ZINC000867811564 662579276 /nfs/dbraw/zinc/57/92/76/662579276.db2.gz CXEQCPSBQGOOIC-WFASDCNBSA-N 1 0 383.876 2.742 20 0 GFADRO COC(=O)c1sccc1S(=O)(=O)N(CC(C)C)CC1CC[NH+](C)CC1 ZINC000867865286 662584235 /nfs/dbraw/zinc/58/42/35/662584235.db2.gz XKDGBAMKAQXRGE-UHFFFAOYSA-N 1 0 388.555 2.523 20 0 GFADRO Cc1noc([C@@H]2CCCN(C(=O)[C@@H]([NH3+])c3cccc(Br)c3)C2)n1 ZINC000867927743 662587739 /nfs/dbraw/zinc/58/77/39/662587739.db2.gz MYFMCBVOOBGQJN-OCCSQVGLSA-N 1 0 379.258 2.547 20 0 GFADRO [NH3+][C@H](C(=O)N1CCC(OC[C@H]2CCCO2)CC1)c1cccc(Br)c1 ZINC000867942590 662588459 /nfs/dbraw/zinc/58/84/59/662588459.db2.gz CRIKLXKKGWPZPI-SJORKVTESA-N 1 0 397.313 2.636 20 0 GFADRO CN(Cc1ccc2c(c1)OCCO2)C(=O)[C@@H]([NH3+])c1cccc(Br)c1 ZINC000867954280 662589178 /nfs/dbraw/zinc/58/91/78/662589178.db2.gz KVZKEMIWQWSGEA-KRWDZBQOSA-N 1 0 391.265 2.879 20 0 GFADRO [NH3+][C@H](C(=O)NCc1ccnc(N2CCCC2)c1)c1cccc(Br)c1 ZINC000867962357 662589641 /nfs/dbraw/zinc/58/96/41/662589641.db2.gz OXHAYUCJGLKZIP-KRWDZBQOSA-N 1 0 389.297 2.761 20 0 GFADRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)c1c(F)ccc(I)c1Cl ZINC000867970108 662589935 /nfs/dbraw/zinc/58/99/35/662589935.db2.gz XTXKYDAKFNPXML-XCBNKYQSSA-N 1 0 396.631 2.812 20 0 GFADRO C[C@H](NC(=O)C1CCN(C(=O)c2ccc(Cl)s2)CC1)C1CC[NH2+]CC1 ZINC000868009617 662591233 /nfs/dbraw/zinc/59/12/33/662591233.db2.gz GXIQVUGPIISKJV-LBPRGKRZSA-N 1 0 383.945 2.758 20 0 GFADRO COC(=O)c1cccc(NC(=O)N2CCC[C@@H]3[NH2+]CC[C@@H]32)c1Br ZINC000868155277 662596773 /nfs/dbraw/zinc/59/67/73/662596773.db2.gz NIPBSCULPBKSNU-AAEUAGOBSA-N 1 0 382.258 2.594 20 0 GFADRO [NH3+]CC12CCC(CC1)N2C(=O)Nc1ccc2nccnc2c1Br ZINC000868157391 662597007 /nfs/dbraw/zinc/59/70/07/662597007.db2.gz DCHGUAORRMVUPC-UHFFFAOYSA-N 1 0 376.258 2.880 20 0 GFADRO CN1CC[NH+](C2CCN(C(=O)NCc3cccc(Cl)c3Cl)CC2)CC1 ZINC000868166509 662597327 /nfs/dbraw/zinc/59/73/27/662597327.db2.gz MGWVECABJCTZKM-UHFFFAOYSA-N 1 0 385.339 2.915 20 0 GFADRO O=C(NCc1ncc(Br)s1)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000868169949 662597579 /nfs/dbraw/zinc/59/75/79/662597579.db2.gz FPMWEMVNUVQFMB-GFCCVEGCSA-N 1 0 397.298 2.888 20 0 GFADRO [NH3+][C@H]1C[C@H](CNC(=O)C(=O)Nc2ccc(Br)c(Cl)c2Cl)C1 ZINC000868304512 662601292 /nfs/dbraw/zinc/60/12/92/662601292.db2.gz PGPFCCLNJMAVPG-LJGSYFOKSA-N 1 0 395.084 2.548 20 0 GFADRO COC[C@@H](NC(=O)NC[C@H]1CC[N@@H+](C2CC2)C1)c1cccc(Br)c1 ZINC000868355869 662602796 /nfs/dbraw/zinc/60/27/96/662602796.db2.gz SEMUPUZSDCCQEY-CXAGYDPISA-N 1 0 396.329 2.920 20 0 GFADRO COc1cc(C[NH+](C)C)ccc1NC(=O)c1c(Br)nc2n1CCC2 ZINC000868818075 662620753 /nfs/dbraw/zinc/62/07/53/662620753.db2.gz QTXACNSHFFLVCJ-UHFFFAOYSA-N 1 0 393.285 2.914 20 0 GFADRO CCC[NH+]1CCC(CNC(=O)NCc2ncc(Br)s2)CC1 ZINC000869195307 662634466 /nfs/dbraw/zinc/63/44/66/662634466.db2.gz XWPMPHWQNYMCDA-UHFFFAOYSA-N 1 0 375.336 2.827 20 0 GFADRO O=C(NCC1CC[NH+](CC2CC2)CC1)c1cc(Br)cn2ccnc12 ZINC000869311334 662640994 /nfs/dbraw/zinc/64/09/94/662640994.db2.gz FQWIEQZOTXBSID-UHFFFAOYSA-N 1 0 391.313 2.949 20 0 GFADRO C[NH+](C)C[C@H](NC(=O)/C=C/CN1CCOCC1)c1ccc(Cl)c(Cl)c1 ZINC000869447296 662647211 /nfs/dbraw/zinc/64/72/11/662647211.db2.gz MVEDIKRVGGSPNN-IDOMTICXSA-N 1 0 386.323 2.601 20 0 GFADRO COCCN(CC1CC[NH+](C)CC1)C(=O)c1cc(Br)cc(C=O)c1 ZINC000869759871 662660362 /nfs/dbraw/zinc/66/03/62/662660362.db2.gz OTAOZMJVVBNPPL-UHFFFAOYSA-N 1 0 397.313 2.692 20 0 GFADRO COCCN(CC1CC[NH+](C)CC1)C(=O)Cc1cscc1Br ZINC000869762668 662660394 /nfs/dbraw/zinc/66/03/94/662660394.db2.gz KFLPRKRAICOFEV-UHFFFAOYSA-N 1 0 389.359 2.870 20 0 GFADRO COCCN(CC1CC[NH+](C)CC1)C(=O)c1csc(Br)c1 ZINC000869769609 662660603 /nfs/dbraw/zinc/66/06/03/662660603.db2.gz MFNSLPXQVWEVRK-UHFFFAOYSA-N 1 0 375.332 2.941 20 0 GFADRO CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)c2cc(F)c(Br)cc2Cl)C1 ZINC000869777903 662661280 /nfs/dbraw/zinc/66/12/80/662661280.db2.gz YFXTUNJAIXJUHI-VIFPVBQESA-N 1 0 393.684 2.817 20 0 GFADRO COc1cc(C(=O)N2CCC(C)([NH+]3CCCC3)CC2)cnc1Br ZINC000870256615 662681019 /nfs/dbraw/zinc/68/10/19/662681019.db2.gz KBXPUTOCVMJTEZ-UHFFFAOYSA-N 1 0 382.302 2.943 20 0 GFADRO CC(=O)N[C@@H](C(=O)OCC[C@H]1CC[N@@H+](C)C1)c1cccc(Br)c1 ZINC000870458345 662691056 /nfs/dbraw/zinc/69/10/56/662691056.db2.gz SDPWWOATQDATHL-CZUORRHYSA-N 1 0 383.286 2.511 20 0 GFADRO CCOC(=O)c1nc(NC(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)sc1C ZINC000870782131 662701388 /nfs/dbraw/zinc/70/13/88/662701388.db2.gz XETJJCRQKICIAT-CYBMUJFWSA-N 1 0 383.539 2.784 20 0 GFADRO O=C(c1cc(Br)cn2ccnc12)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000870852485 662703405 /nfs/dbraw/zinc/70/34/05/662703405.db2.gz GQFMCLNTHAEPIV-SWLSCSKDSA-N 1 0 377.286 2.701 20 0 GFADRO [NH3+][C@H]1CC[C@@H](C(=O)N2CCN(C(=O)c3cc(Cl)cc(Cl)c3)CC2)CC1 ZINC000870864214 662703931 /nfs/dbraw/zinc/70/39/31/662703931.db2.gz VNVNXEMAWZJZAJ-DRQUAOQDSA-N 1 0 384.307 2.795 20 0 GFADRO CCCC(=O)NC[C@H]1CCCN(C(=O)[C@H]([NH3+])c2cccc(Br)c2)C1 ZINC000870878507 662704369 /nfs/dbraw/zinc/70/43/69/662704369.db2.gz MELQVYMWEOEZFG-CXAGYDPISA-N 1 0 396.329 2.604 20 0 GFADRO C[C@H]1CN(C(=O)c2c(F)ccc(I)c2Cl)CC[C@@H]1[NH3+] ZINC000870936439 662709132 /nfs/dbraw/zinc/70/91/32/662709132.db2.gz JIFOTVKXNPECLP-XVKPBYJWSA-N 1 0 396.631 2.893 20 0 GFADRO [NH3+]CC1(CCNC(=O)c2c(F)ccc(I)c2Cl)CC1 ZINC000870949490 662711274 /nfs/dbraw/zinc/71/12/74/662711274.db2.gz GYEJXFZGCQDSBL-UHFFFAOYSA-N 1 0 396.631 2.943 20 0 GFADRO O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1CCOc2ccc(Br)cc21 ZINC000870973534 662711847 /nfs/dbraw/zinc/71/18/47/662711847.db2.gz ZRPHXQOAAAHNAI-FAAHXZRKSA-N 1 0 379.298 2.962 20 0 GFADRO Cn1c(-c2ccc(F)cc2Br)nnc1N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000871044872 662713997 /nfs/dbraw/zinc/71/39/97/662713997.db2.gz CNCCAZNKZWJYPM-NHYWBVRUSA-N 1 0 394.292 2.914 20 0 GFADRO Cc1csc([C@](O)(CC(=O)N2CC[N@@H+](C)C(C)(C)CC2)C(F)(F)F)n1 ZINC000871153555 662716348 /nfs/dbraw/zinc/71/63/48/662716348.db2.gz PXXUCWIZNJGOGG-OAHLLOKOSA-N 1 0 379.448 2.534 20 0 GFADRO COc1cc(CON=C(N)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c(Br)cn1 ZINC000871784499 662733565 /nfs/dbraw/zinc/73/35/65/662733565.db2.gz GTGGKVPRQSXYTE-VGPLMAKISA-N 1 0 383.290 2.724 20 0 GFADRO CC(C)n1ncc(-c2nc([C@H]3CCC[NH2+]C3)no2)c1I ZINC000871788686 662734010 /nfs/dbraw/zinc/73/40/10/662734010.db2.gz BKXAZLFLGCKJBV-VIFPVBQESA-N 1 0 387.225 2.586 20 0 GFADRO O=S(=O)(Cc1cc(Cl)cc(Cl)c1)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000871809353 662734679 /nfs/dbraw/zinc/73/46/79/662734679.db2.gz AGVMCYMBRGZWKA-HNNXBMFYSA-N 1 0 393.336 2.572 20 0 GFADRO NC(=O)[C@H]([NH2+]C[C@@H]1C[C@H]1C1CCOCC1)c1ccc(Br)cc1F ZINC000871922329 662742087 /nfs/dbraw/zinc/74/20/87/662742087.db2.gz XZFSWHINIOULGO-HZUKXOBISA-N 1 0 385.277 2.767 20 0 GFADRO C[C@@H]1CN(CC[NH2+][C@H](c2cccc(Br)c2)[C@H]2CCOC2)CCO1 ZINC000872035826 662754514 /nfs/dbraw/zinc/75/45/14/662754514.db2.gz ZBOOAHVBBUCAFA-UWWQBHOKSA-N 1 0 383.330 2.837 20 0 GFADRO CC(C)(C)[C@H]1C[C@@H]([NH2+]CCNS(=O)(=O)c2ccc(Cl)s2)CCO1 ZINC000872053886 662754878 /nfs/dbraw/zinc/75/48/78/662754878.db2.gz XVELJRZBCRYGRP-NWDGAFQWSA-N 1 0 380.963 2.863 20 0 GFADRO C[C@H]([NH2+]CCOC(F)(F)C(F)(F)F)c1ccc(NS(C)(=O)=O)cc1 ZINC000872110628 662756054 /nfs/dbraw/zinc/75/60/54/662756054.db2.gz LBBFAAZDDYZRQY-VIFPVBQESA-N 1 0 376.347 2.880 20 0 GFADRO C[C@@H]([NH2+]CCOC(F)(F)C(F)(F)F)c1cccc(NS(C)(=O)=O)c1 ZINC000872110734 662756296 /nfs/dbraw/zinc/75/62/96/662756296.db2.gz OKIHKOYZRKQUEF-SECBINFHSA-N 1 0 376.347 2.880 20 0 GFADRO O=S1(=O)CC[C@H]([NH2+]C[C@H](O)Cc2cccc(Cl)c2)c2cc(F)ccc21 ZINC000872128998 662756408 /nfs/dbraw/zinc/75/64/08/662756408.db2.gz QCJZSYNSZUAODO-WBVHZDCISA-N 1 0 383.872 2.891 20 0 GFADRO COc1cc(Cl)c(C)cc1NC(=O)CN1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000872147176 662756477 /nfs/dbraw/zinc/75/64/77/662756477.db2.gz FHHYQDIUWHLHFG-MNOVXSKESA-N 1 0 379.810 2.665 20 0 GFADRO CC(C)(O)C[C@@H](O)C[NH2+]Cc1ccc(I)cc1Cl ZINC000872206918 662757722 /nfs/dbraw/zinc/75/77/22/662757722.db2.gz JSUPYIWDZDMHFW-LLVKDONJSA-N 1 0 383.657 2.556 20 0 GFADRO O[C@H](C[NH2+]C[C@@H](n1cncn1)C(F)(F)F)c1ccc(F)c(Br)c1 ZINC000872220234 662758199 /nfs/dbraw/zinc/75/81/99/662758199.db2.gz LRSBPACYYOKNTM-VXGBXAGGSA-N 1 0 397.170 2.606 20 0 GFADRO O[C@@H](C[NH2+]C[C@H]1CCC12CCOCC2)COc1cccc(Br)c1 ZINC000872229797 662758452 /nfs/dbraw/zinc/75/84/52/662758452.db2.gz SPFPPYLJBNRMMN-ZBFHGGJFSA-N 1 0 384.314 2.985 20 0 GFADRO Cn1ncc(I)c1C[NH2+]C[C@@H](O)c1cccc(Cl)c1 ZINC000872243331 662759113 /nfs/dbraw/zinc/75/91/13/662759113.db2.gz XBUYZKLYJIHYFC-CYBMUJFWSA-N 1 0 391.640 2.501 20 0 GFADRO O[C@H](C[NH2+]CCn1ccc(C(F)(F)F)n1)c1ccc(Br)cc1 ZINC000872244335 662759226 /nfs/dbraw/zinc/75/92/26/662759226.db2.gz IPFPSSGMRHQTHI-GFCCVEGCSA-N 1 0 378.192 2.988 20 0 GFADRO COc1cc(CNC(=O)[C@@H]2CCCCC[C@@H]2[NH3+])cc(Br)c1OC ZINC000872265666 662759285 /nfs/dbraw/zinc/75/92/85/662759285.db2.gz LBIKFVDXTHAIBG-OCCSQVGLSA-N 1 0 385.302 2.990 20 0 GFADRO CC1(C)CC[NH2+]CCN1C(=O)c1cnn(-c2cccc(Br)c2)c1 ZINC000872294790 662759940 /nfs/dbraw/zinc/75/99/40/662759940.db2.gz ASNAZXWFYUWLIX-UHFFFAOYSA-N 1 0 377.286 2.849 20 0 GFADRO Cc1nc(-c2ccc(Br)cc2)nn1CN1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000872724669 662786819 /nfs/dbraw/zinc/78/68/19/662786819.db2.gz XAZBHTRTYZINJD-DOTOQJQBSA-N 1 0 390.329 3.000 20 0 GFADRO Cc1sc(C[NH2+]C[C@@H]2CCC[C@]23NC(=O)N(C)C3=O)cc1Br ZINC000873068901 662798434 /nfs/dbraw/zinc/79/84/34/662798434.db2.gz CLBRPUVHASCRAF-BONVTDFDSA-N 1 0 386.315 2.629 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)C[C@H]1C(F)(F)F ZINC000873105231 662799979 /nfs/dbraw/zinc/79/99/79/662799979.db2.gz TZTZIWPKFNPARI-IONNQARKSA-N 1 0 384.185 2.528 20 0 GFADRO Cc1c(Br)ccc(NC(=O)C(=O)N(C)CCCCCC[NH3+])c1F ZINC000873111097 662800158 /nfs/dbraw/zinc/80/01/58/662800158.db2.gz DYOTUXZOSZGENM-UHFFFAOYSA-N 1 0 388.281 2.813 20 0 GFADRO O=C1OCC[C@@H]1CCC[NH2+]Cc1cccc(F)c1I ZINC000873159752 662802113 /nfs/dbraw/zinc/80/21/13/662802113.db2.gz WRWCOUKJSKQXSA-JTQLQIEISA-N 1 0 377.197 2.863 20 0 GFADRO C[C@H](NCc1cccc(-n2cc(C[NH3+])nn2)c1)c1ncc(Br)s1 ZINC000873247365 662804647 /nfs/dbraw/zinc/80/46/47/662804647.db2.gz LNQAFMYNIAPMGZ-JTQLQIEISA-N 1 0 393.314 2.796 20 0 GFADRO COc1ccc(NC(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)c(Br)c1 ZINC000873307108 662805054 /nfs/dbraw/zinc/80/50/54/662805054.db2.gz ILORFAIWCUOBJA-ZDUSSCGKSA-N 1 0 398.301 2.738 20 0 GFADRO COC(=O)c1cc(Cl)cc(NC(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)c1 ZINC000873307453 662805103 /nfs/dbraw/zinc/80/51/03/662805103.db2.gz ADMYTRMGNNSPDR-BXKDBHETSA-N 1 0 379.766 2.728 20 0 GFADRO C[C@]12C[NH2+]C[C@H]1CN(C(=O)Nc1cccc(F)c1I)C2 ZINC000873313746 662805249 /nfs/dbraw/zinc/80/52/49/662805249.db2.gz GYJSDAFSAZPUOT-LKFCYVNXSA-N 1 0 389.212 2.504 20 0 GFADRO Cc1cc(NC(=O)N2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)cnc1Br ZINC000873317237 662805307 /nfs/dbraw/zinc/80/53/07/662805307.db2.gz IVPZKKABRGGPIP-WCBMZHEXSA-N 1 0 381.196 2.753 20 0 GFADRO Cc1nc(NC(=O)N2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)ccc1Br ZINC000873318579 662805335 /nfs/dbraw/zinc/80/53/35/662805335.db2.gz CZLBQZDRDVRWDK-DTWKUNHWSA-N 1 0 381.196 2.753 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)Nc2ncc(C3CCOCC3)s2)C[C@@H]1C(F)(F)F ZINC000873329146 662805559 /nfs/dbraw/zinc/80/55/59/662805559.db2.gz UATQLWHOTJEWKV-MNOVXSKESA-N 1 0 378.420 2.638 20 0 GFADRO CCn1ncc(C(=O)NCCC[N@@H+]2CCc3ccccc3C2)c1Br ZINC000873983704 662820534 /nfs/dbraw/zinc/82/05/34/662820534.db2.gz OBFVAWUYWOSVRK-UHFFFAOYSA-N 1 0 391.313 2.844 20 0 GFADRO CCn1ncc(C(=O)NC[C@H](C)[N@H+](C)Cc2ccccc2)c1Br ZINC000874454715 662831572 /nfs/dbraw/zinc/83/15/72/662831572.db2.gz KPJIWRMONZFYNF-ZDUSSCGKSA-N 1 0 379.302 2.916 20 0 GFADRO C[C@@H]1CN(C(=O)C2CC[NH+]([C@H]3CCSC3)CC2)CC[C@H](C(F)(F)F)O1 ZINC000874561985 662833665 /nfs/dbraw/zinc/83/36/65/662833665.db2.gz LTRVFPKMPCVNMK-VHDGCEQUSA-N 1 0 380.476 2.772 20 0 GFADRO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)c1ccc2cncc(Br)c2n1 ZINC000874821939 662837325 /nfs/dbraw/zinc/83/73/25/662837325.db2.gz DZAYXHPDPZMFJU-LSDHHAIUSA-N 1 0 375.270 2.701 20 0 GFADRO Cn1nc2cc(Br)ccc2c1C(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2C ZINC000874827241 662837624 /nfs/dbraw/zinc/83/76/24/662837624.db2.gz YDWZFRYYNAJIHG-HUUCEWRRSA-N 1 0 377.286 2.645 20 0 GFADRO C[N@@H+]1CCC[C@H]2[C@H]1CCN2C(=O)c1cnn(-c2cccc(Br)c2)c1 ZINC000874840606 662838081 /nfs/dbraw/zinc/83/80/81/662838081.db2.gz PPYABERKOWMEFP-SJORKVTESA-N 1 0 389.297 2.944 20 0 GFADRO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)c1ccc(I)c(F)c1 ZINC000874840349 662838206 /nfs/dbraw/zinc/83/82/06/662838206.db2.gz MRVJHTMRCOAFOW-ZIAGYGMSSA-N 1 0 388.224 2.739 20 0 GFADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)Oc2ccc(Br)cc2F)cn1 ZINC000875023105 662841004 /nfs/dbraw/zinc/84/10/04/662841004.db2.gz HVXRMSPRIZYUMY-KBPBESRZSA-N 1 0 396.260 2.963 20 0 GFADRO C[C@@H](CNC(=O)N1CC[C@@H](O)[C@H]1c1ccc(Br)cc1)[N@H+](C)C1CC1 ZINC000875240892 662843825 /nfs/dbraw/zinc/84/38/25/662843825.db2.gz ULOFMUPOMURHSP-JCURWCKSSA-N 1 0 396.329 2.749 20 0 GFADRO Cn1cc([C@H]2C[N@H+](C)CC[C@H]2C(=O)OCc2ccccc2Br)cn1 ZINC000875435276 662846038 /nfs/dbraw/zinc/84/60/38/662846038.db2.gz UFTNUYCMNAWHGD-HZPDHXFCSA-N 1 0 392.297 2.961 20 0 GFADRO CSC1(CNC(=O)N2CC[C@H](C(F)(F)F)O[C@H](C)C2)CC[NH+](C)CC1 ZINC000875597419 662848638 /nfs/dbraw/zinc/84/86/38/662848638.db2.gz JMOZEMXGZJBDRZ-CHWSQXEVSA-N 1 0 383.480 2.565 20 0 GFADRO CC1=NO[C@H](CNC(=O)N(CC[NH+](C)C)Cc2ccc(Br)cc2)C1 ZINC000875979386 662854288 /nfs/dbraw/zinc/85/42/88/662854288.db2.gz USXGMTOMSLAAQI-INIZCTEOSA-N 1 0 397.317 2.687 20 0 GFADRO CCCN(CC[NH+]1CCCC1)C(=O)NCc1ncc(Br)s1 ZINC000876287724 662859066 /nfs/dbraw/zinc/85/90/66/662859066.db2.gz WVMGGVUPBUMNGO-UHFFFAOYSA-N 1 0 375.336 2.923 20 0 GFADRO CN(C)CC[N@H+](C)CCCN(C)C(=O)NCc1ccc(C(F)(F)F)s1 ZINC000876342657 662860079 /nfs/dbraw/zinc/86/00/79/662860079.db2.gz SHYHYIQWHSSZCM-UHFFFAOYSA-N 1 0 380.480 2.792 20 0 GFADRO CC(C)[N@H+](C)CC1CCN(C(=O)NCCOC(F)(F)C(F)(F)F)CC1 ZINC000876357136 662860280 /nfs/dbraw/zinc/86/02/80/662860280.db2.gz GOPLYFQGVLOISX-UHFFFAOYSA-N 1 0 375.382 2.920 20 0 GFADRO C[C@@]1(Br)C[C@@H]1C(=O)Nc1ccc(C(=O)OC2CC[NH2+]CC2)cc1 ZINC000876518679 662862367 /nfs/dbraw/zinc/86/23/67/662862367.db2.gz JHLVLZMLVJGFQG-RHSMWYFYSA-N 1 0 381.270 2.707 20 0 GFADRO Cc1cnn([C@H]2CCC[NH2+]C2)c1C(=O)NCCc1ccc(Br)s1 ZINC000876571394 662862913 /nfs/dbraw/zinc/86/29/13/662862913.db2.gz KEESVTJORQNSGW-LBPRGKRZSA-N 1 0 397.342 2.913 20 0 GFADRO Cc1cnn([C@H]2CCC[NH2+]C2)c1C(=O)NCc1ccc(F)cc1Br ZINC000876606617 662863283 /nfs/dbraw/zinc/86/32/83/662863283.db2.gz GQWNGLXIZBXYIS-AWEZNQCLSA-N 1 0 395.276 2.948 20 0 GFADRO O=C([C@H](F)[C@@H]1CC[NH2+]C1)N1CCO[C@H](c2cc(F)c(Cl)cc2Cl)C1 ZINC000876649369 662864233 /nfs/dbraw/zinc/86/42/33/662864233.db2.gz UFZVBTQYBCURCA-TURNYIBQSA-N 1 0 379.234 2.980 20 0 GFADRO C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000876733401 662865515 /nfs/dbraw/zinc/86/55/15/662865515.db2.gz XGAOJWIAMUZALV-WECYXGJFSA-N 1 0 392.341 2.803 20 0 GFADRO O=C(NC[C@@H]1C[NH2+]CCCO1)c1cnc(-c2ccccc2Br)s1 ZINC000876869825 662867529 /nfs/dbraw/zinc/86/75/29/662867529.db2.gz INDXWLPGMWEJTJ-NSHDSACASA-N 1 0 396.310 2.681 20 0 GFADRO COCCOc1ccc(Br)cc1NC(=O)CCC12CC(C1)C[NH2+]2 ZINC000876877178 662867608 /nfs/dbraw/zinc/86/76/08/662867608.db2.gz PIBAYMLEUMCHDN-UHFFFAOYSA-N 1 0 383.286 2.945 20 0 GFADRO COc1ccc([C@H](C[NH2+]C[C@@H]2CC2(Cl)Cl)N2CCOCC2)cc1OC ZINC000876898084 662867877 /nfs/dbraw/zinc/86/78/77/662867877.db2.gz ZHGOTEYKSWDYCJ-GJZGRUSLSA-N 1 0 389.323 2.861 20 0 GFADRO O=C(/C=C/[C@@H]1CCC[NH2+]C1)N1CCOC[C@@H]1c1ccc(Br)cc1 ZINC000876967721 662868864 /nfs/dbraw/zinc/86/88/64/662868864.db2.gz LTELDQRWBVUUHD-TTXHZVRDSA-N 1 0 379.298 2.905 20 0 GFADRO O=C(/C=C/[C@@H]1CCC[NH2+]C1)NCCc1ccc(I)cc1 ZINC000876974738 662868965 /nfs/dbraw/zinc/86/89/65/662868965.db2.gz RJFUYUCUOXOVFF-GPAKFWEMSA-N 1 0 384.261 2.506 20 0 GFADRO O=C(/C=C/[C@H]1CCC[NH2+]C1)NCCc1ccc(I)cc1 ZINC000876974739 662868990 /nfs/dbraw/zinc/86/89/90/662868990.db2.gz RJFUYUCUOXOVFF-LHRNQBEKSA-N 1 0 384.261 2.506 20 0 GFADRO [NH3+][C@@H](C(=O)N1CCO[C@H](CC(F)(F)F)C1)c1cccc(Br)c1 ZINC000876978250 662868994 /nfs/dbraw/zinc/86/89/94/662868994.db2.gz HTWPYEAGPXEUSL-VXGBXAGGSA-N 1 0 381.192 2.629 20 0 GFADRO C[C@@H](NC(=O)CO[C@@H]1CCC[NH2+]C1)c1cc(F)c(Br)cc1F ZINC000877000028 662869461 /nfs/dbraw/zinc/86/94/61/662869461.db2.gz IPYANWCAHPNOPB-NXEZZACHSA-N 1 0 377.229 2.673 20 0 GFADRO CS(=O)(=O)CCN1CCC([NH2+]Cc2cc3nc(Cl)ccc3s2)CC1 ZINC000877008874 662869551 /nfs/dbraw/zinc/86/95/51/662869551.db2.gz QWQVZHNTACJLPV-UHFFFAOYSA-N 1 0 387.958 2.548 20 0 GFADRO COC(=O)c1ccc(CNc2cnn(CC[NH+](C)C)c2)cc1Br ZINC000877006407 662869574 /nfs/dbraw/zinc/86/95/74/662869574.db2.gz JXTASKRPLFPHTJ-UHFFFAOYSA-N 1 0 381.274 2.606 20 0 GFADRO C[NH2+]CCOCCNC(=O)c1cnc(-c2ccccc2Br)s1 ZINC000877023742 662869828 /nfs/dbraw/zinc/86/98/28/662869828.db2.gz CRPCCTMQXBAAEB-UHFFFAOYSA-N 1 0 384.299 2.538 20 0 GFADRO C[C@@H](CC[NH2+]Cc1cnn2cc(Br)cnc12)NC(=O)OC(C)(C)C ZINC000877023194 662869796 /nfs/dbraw/zinc/86/97/96/662869796.db2.gz HSDGSFOINOJPSP-NSHDSACASA-N 1 0 398.305 2.885 20 0 GFADRO O=S1(=O)CCC(C[NH2+]CCCc2ccc(Br)cc2F)CC1 ZINC000877034890 662869930 /nfs/dbraw/zinc/86/99/30/662869930.db2.gz CNRZKPGZKQBFHN-UHFFFAOYSA-N 1 0 378.307 2.935 20 0 GFADRO O=S(=O)(Cc1ccccc1C[NH2+]C[C@H]1CC1(Cl)Cl)N1CCCC1 ZINC000877117451 662871302 /nfs/dbraw/zinc/87/13/02/662871302.db2.gz AHFUQCVHRVINOS-OAHLLOKOSA-N 1 0 377.337 2.896 20 0 GFADRO O=S1(=O)CC[C@]2(C1)C[C@H]([NH2+]Cc1cc3nc(Cl)ccc3s1)CCO2 ZINC000877139232 662871506 /nfs/dbraw/zinc/87/15/06/662871506.db2.gz IXIWYBOKTUFIPN-BDJLRTHQSA-N 1 0 386.926 2.776 20 0 GFADRO Cc1cc(C(=O)NC[C@H]2C[C@H]([NH3+])C2)c(I)cc1Cl ZINC000877244286 662872382 /nfs/dbraw/zinc/87/23/82/662872382.db2.gz ACULAUPLTFPNMN-KYZUINATSA-N 1 0 378.641 2.720 20 0 GFADRO O=C(c1cnn(-c2ccccc2)c1Br)N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000877265752 662872838 /nfs/dbraw/zinc/87/28/38/662872838.db2.gz MUFLJBXQWLHVIO-CZUORRHYSA-N 1 0 389.297 2.849 20 0 GFADRO O=C(c1cn(-c2ccc(Br)cc2)cn1)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000877276200 662872909 /nfs/dbraw/zinc/87/29/09/662872909.db2.gz DHVUUPYKLMYNRR-GOEBONIOSA-N 1 0 375.270 2.601 20 0 GFADRO O=C(c1cc(F)c(F)cc1I)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000877281112 662873095 /nfs/dbraw/zinc/87/30/95/662873095.db2.gz YYGYJODNZBAAKV-OLZOCXBDSA-N 1 0 392.187 2.536 20 0 GFADRO O=C(c1ccc(Cl)s1)N1CCC(C(=O)N2CCC[C@H]3[NH2+]CC[C@H]32)CC1 ZINC000877281422 662873182 /nfs/dbraw/zinc/87/31/82/662873182.db2.gz LNYMRRCSCKEZLV-ZIAGYGMSSA-N 1 0 381.929 2.607 20 0 GFADRO O=C(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)c1cc2ccc(Br)cc2[nH]1 ZINC000877329780 662873786 /nfs/dbraw/zinc/87/37/86/662873786.db2.gz YAIUUJHYKYBZIM-AWEZNQCLSA-N 1 0 392.297 2.819 20 0 GFADRO C[C@@H](C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2)c1ccc(Br)s1 ZINC000877332691 662873838 /nfs/dbraw/zinc/87/38/38/662873838.db2.gz GFIOTLRTSKEEIB-VXGBXAGGSA-N 1 0 387.343 2.889 20 0 GFADRO O=C(CCc1ccc(Br)cc1)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000877335626 662873873 /nfs/dbraw/zinc/87/38/73/662873873.db2.gz IJKZLWZXYBUYTM-MRXNPFEDSA-N 1 0 381.314 2.657 20 0 GFADRO O=C(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)c1cc(Br)ccc1Cl ZINC000877337703 662874013 /nfs/dbraw/zinc/87/40/13/662874013.db2.gz SJTANKRAZBVAAI-LBPRGKRZSA-N 1 0 387.705 2.991 20 0 GFADRO CC(C)(C)n1cc(Br)c(C(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)n1 ZINC000877354481 662874142 /nfs/dbraw/zinc/87/41/42/662874142.db2.gz BEEUGGHRTIHPTA-RKDXNWHRSA-N 1 0 397.239 2.610 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)Cc2ccc(Br)c(F)c2)C[C@H]1C(F)(F)F ZINC000877355736 662874178 /nfs/dbraw/zinc/87/41/78/662874178.db2.gz BLDBIAYVTADQMG-VHSXEESVSA-N 1 0 383.183 2.726 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)[C@H]2COc3ccc(Br)cc32)C[C@H]1C(F)(F)F ZINC000877358180 662874311 /nfs/dbraw/zinc/87/43/11/662874311.db2.gz ODIPMLWTHYMMNS-JFUSQASVSA-N 1 0 393.203 2.521 20 0 GFADRO COc1ccc(Cl)cc1NCCC(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000877361302 662874538 /nfs/dbraw/zinc/87/45/38/662874538.db2.gz RKNXGPRWBFFYNT-CMPLNLGQSA-N 1 0 379.810 2.746 20 0 GFADRO C[C@H](Oc1cccc(Br)c1)C(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000877363411 662874625 /nfs/dbraw/zinc/87/46/25/662874625.db2.gz DMDPZGVAIPSPSV-CWSCBRNRSA-N 1 0 395.219 2.812 20 0 GFADRO CC(C)c1n[nH]c(C(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)c1Br ZINC000877365364 662874712 /nfs/dbraw/zinc/87/47/12/662874712.db2.gz PVEOFYGHTJSTNL-HTQZYQBOSA-N 1 0 383.212 2.505 20 0 GFADRO C[C@H]1CN(C(=O)c2csc(C3CC[NH2+]CC3)n2)CC[C@@H](C(F)(F)F)O1 ZINC000877382272 662875139 /nfs/dbraw/zinc/87/51/39/662875139.db2.gz IOQGXCHWNQAOMN-GWCFXTLKSA-N 1 0 377.432 2.792 20 0 GFADRO O=C(N[C@@]12CCC[C@H]1[NH2+]CC2)c1cc(=O)[nH]c2c(Br)cccc12 ZINC000877395421 662875485 /nfs/dbraw/zinc/87/54/85/662875485.db2.gz YLFILNPHRRLCDZ-CXAGYDPISA-N 1 0 376.254 2.717 20 0 GFADRO Cc1c(C(=O)N[C@@]23CCC[C@H]2[NH2+]CC3)cnn1-c1ccc(Br)cc1 ZINC000877397875 662875515 /nfs/dbraw/zinc/87/55/15/662875515.db2.gz MFBIVMFJPCVEET-SJLPKXTDSA-N 1 0 389.297 2.958 20 0 GFADRO CCOc1c(Br)cc(C(=O)N[C@@]23CCC[C@@H]2[NH2+]CC3)cc1OC ZINC000877396807 662875523 /nfs/dbraw/zinc/87/55/23/662875523.db2.gz AEYYBAUVDFGTKC-WMLDXEAASA-N 1 0 383.286 2.871 20 0 GFADRO COC(=O)N1CCC([C@@H](C)[NH2+]Cc2snc(OC)c2Br)CC1 ZINC000877423856 662875831 /nfs/dbraw/zinc/87/58/31/662875831.db2.gz MGSRWVYRRARNCE-SECBINFHSA-N 1 0 392.319 2.871 20 0 GFADRO NS(=O)(=O)c1cccc(C[NH2+]C[C@H]2CCN(c3ccccc3Cl)C2)c1 ZINC000877620577 662880041 /nfs/dbraw/zinc/88/00/41/662880041.db2.gz JYUINUZXUNTDAA-OAHLLOKOSA-N 1 0 379.913 2.604 20 0 GFADRO CC(C)[C@H]([NH2+]Cc1ccc(S(N)(=O)=O)s1)[C@H](O)c1ccc(Cl)cc1 ZINC000877639162 662880497 /nfs/dbraw/zinc/88/04/97/662880497.db2.gz CIBXGZKMBNIPNU-JKSUJKDBSA-N 1 0 388.942 2.897 20 0 GFADRO CON(C)C(=O)[C@@H](C)[NH2+][C@@H]1CCN(C)[C@@H](c2ccc(Br)cc2)C1 ZINC000877659784 662881039 /nfs/dbraw/zinc/88/10/39/662881039.db2.gz CKQMILAJIADXIQ-DAXOMENPSA-N 1 0 384.318 2.582 20 0 GFADRO NS(=O)(=O)c1cccc(C[NH2+][C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)c1 ZINC000877662607 662881068 /nfs/dbraw/zinc/88/10/68/662881068.db2.gz SQQWGCBPILIHSK-SJORKVTESA-N 1 0 384.860 2.746 20 0 GFADRO CON(C)C(=O)[C@@H](C)[NH2+][C@H]1CCN(C)[C@H](c2ccc(Br)cc2)C1 ZINC000877659785 662881115 /nfs/dbraw/zinc/88/11/15/662881115.db2.gz CKQMILAJIADXIQ-KCXAZCMYSA-N 1 0 384.318 2.582 20 0 GFADRO CCOC(=O)COc1c(Br)cc(C)cc1C[NH2+]C[C@H]1C[C@H](O)C1 ZINC000877811577 662884603 /nfs/dbraw/zinc/88/46/03/662884603.db2.gz PTPGZZLAFAWMLD-MQMHXKEQSA-N 1 0 386.286 2.560 20 0 GFADRO C[NH+]1CCC(NC(=O)CN(Cc2cc(Br)ccc2F)C2CC2)CC1 ZINC000878002298 662887899 /nfs/dbraw/zinc/88/78/99/662887899.db2.gz UIUDNXYFKJREHD-UHFFFAOYSA-N 1 0 398.320 2.763 20 0 GFADRO CCOC(=O)c1ncc(C[NH2+]C[C@H](c2cccs2)N2CCOCC2)s1 ZINC000878059456 662889056 /nfs/dbraw/zinc/88/90/56/662889056.db2.gz KJAWJGWCKMBGGZ-CQSZACIVSA-N 1 0 381.523 2.544 20 0 GFADRO OCCC[N@H+](C[C@@H](O)c1cc(Br)no1)[C@H]1CCc2ccccc21 ZINC000878170223 662891174 /nfs/dbraw/zinc/89/11/74/662891174.db2.gz XHFZRNROYPFSBP-LSDHHAIUSA-N 1 0 381.270 2.842 20 0 GFADRO C[C@@H]1CN(CCc2ccccc2Br)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000878323982 662893851 /nfs/dbraw/zinc/89/38/51/662893851.db2.gz FRPSHCDCDGMGKF-VQIMIIECSA-N 1 0 380.374 2.949 20 0 GFADRO Cn1cc([C@@H](O)C[C@@H]2CCC[N@@H+]2C[C@@H](O)c2ccc(Br)cc2)cn1 ZINC000878332088 662894091 /nfs/dbraw/zinc/89/40/91/662894091.db2.gz JKXBWDWWEYGIPE-OKZBNKHCSA-N 1 0 394.313 2.804 20 0 GFADRO COc1cc(F)c([C@@H](C)[NH2+]C[C@@H](O)c2cc(Br)no2)cc1OC ZINC000878364029 662894604 /nfs/dbraw/zinc/89/46/04/662894604.db2.gz MTWPMULHZKREFI-LDYMZIIASA-N 1 0 389.221 2.978 20 0 GFADRO COC(=O)C1=NOC2(C1)CC[NH+](C[C@@H](O)c1ccc(Cl)c(Cl)c1)CC2 ZINC000878400627 662895477 /nfs/dbraw/zinc/89/54/77/662895477.db2.gz FQPPDZSGWCGLCU-OAHLLOKOSA-N 1 0 387.263 2.811 20 0 GFADRO CC(C)[N@@H+](C[C@@H](O)c1cc(Br)no1)C[C@H](O)COc1ccccc1 ZINC000878519090 662897951 /nfs/dbraw/zinc/89/79/51/662897951.db2.gz AMSLNEQMNNVDHS-DZGCQCFKSA-N 1 0 399.285 2.621 20 0 GFADRO CC(C)[NH2+][C@@H]1CCCN(C(=O)[C@]2(C)CC2(Br)Br)C1 ZINC000878578025 662899336 /nfs/dbraw/zinc/89/93/36/662899336.db2.gz PXZCNCPSJFLACB-PWSUYJOCSA-N 1 0 382.140 2.872 20 0 GFADRO C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1[NH2+]CCCS(=O)(=O)C(C)(C)C ZINC000878596826 662899793 /nfs/dbraw/zinc/89/97/93/662899793.db2.gz HWDYKDPWVYDQMR-HUUCEWRRSA-N 1 0 376.563 2.825 20 0 GFADRO C[C@](CO)([NH2+]C[C@@H]1CC2(CO1)CCOCC2)c1ccc(Br)cc1 ZINC000878602817 662900056 /nfs/dbraw/zinc/90/00/56/662900056.db2.gz HSMPKRKQQLRZCL-DLBZAZTESA-N 1 0 384.314 2.832 20 0 GFADRO COC(=O)C[C@](C)([NH2+]C[C@@H](O)c1ccc(Br)cc1)c1ccncc1 ZINC000878610503 662900304 /nfs/dbraw/zinc/90/03/04/662900304.db2.gz XUHKYDQTIPVKDU-AEFFLSMTSA-N 1 0 393.281 2.946 20 0 GFADRO Cn1cc(NC(=O)NC2CCC(C)([NH+](C)C)CC2)cc(Br)c1=O ZINC000878929942 662909845 /nfs/dbraw/zinc/90/98/45/662909845.db2.gz VAYITHAUSVHUPS-UHFFFAOYSA-N 1 0 385.306 2.532 20 0 GFADRO CC(C)(C)OCCCN1CCN(C(=O)Nc2ccncc2Br)CC1 ZINC000879072905 662915468 /nfs/dbraw/zinc/91/54/68/662915468.db2.gz IXKUXTNQZLCWGB-UHFFFAOYSA-N 1 0 399.333 2.621 20 0 GFADRO OCC[C@H]([NH2+]C[C@@H](O)c1cc(Br)no1)c1ccc(Cl)c(F)c1 ZINC000879114579 662917518 /nfs/dbraw/zinc/91/75/18/662917518.db2.gz LOONPVALDKUGQF-NWDGAFQWSA-N 1 0 393.640 2.976 20 0 GFADRO Cc1cccc(CN(CC[NH+](C)C)C(=O)Cc2c(Br)cnn2C)c1 ZINC000879205219 662920669 /nfs/dbraw/zinc/92/06/69/662920669.db2.gz WPTRHPZLQAISRU-UHFFFAOYSA-N 1 0 393.329 2.624 20 0 GFADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)c1ccc(OC(F)F)c(Cl)c1 ZINC000879520970 662928329 /nfs/dbraw/zinc/92/83/29/662928329.db2.gz KGVIVQCWVNEXMQ-LBPRGKRZSA-N 1 0 375.847 2.697 20 0 GFADRO C[C@H](NC(=O)CN1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1)c1ccc(Br)cc1 ZINC000879569019 662929613 /nfs/dbraw/zinc/92/96/13/662929613.db2.gz HOTMQJXVXQKNOS-JLJPHGGASA-N 1 0 380.330 2.652 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN([C@H]3CCc4cc(Br)ccc4NC3=O)CC[C@@H]21 ZINC000879578668 662929805 /nfs/dbraw/zinc/92/98/05/662929805.db2.gz GKEMBZWBXXTQIK-COXVUDFISA-N 1 0 378.314 2.728 20 0 GFADRO Cc1cc(NC(=O)N[C@H]2CC[N@H+](CC(C)(C)O)C2)c(F)cc1Br ZINC000879585972 662930087 /nfs/dbraw/zinc/93/00/87/662930087.db2.gz TWXSKXUNWVDVNL-NSHDSACASA-N 1 0 388.281 2.863 20 0 GFADRO Cc1cnc(Br)c(NC(=O)N(C)CC[NH+]2CC3(C2)CCOCC3)c1 ZINC000879621764 662930597 /nfs/dbraw/zinc/93/05/97/662930597.db2.gz YWPIRETUHBXVMW-UHFFFAOYSA-N 1 0 397.317 2.729 20 0 GFADRO Cc1c(Br)nccc1NC(=O)N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000879660117 662934656 /nfs/dbraw/zinc/93/46/56/662934656.db2.gz MYNKPKZNWWTPTD-CQSZACIVSA-N 1 0 397.317 2.917 20 0 GFADRO COCC[N@H+](C[C@H](O)COc1cc(Cl)cc(Cl)c1)C1CCOCC1 ZINC000879711177 662937796 /nfs/dbraw/zinc/93/77/96/662937796.db2.gz CDEBKYVZXQFTAB-INIZCTEOSA-N 1 0 378.296 2.861 20 0 GFADRO OCCC1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H](O)COc1ccc(Br)cc1 ZINC000879782313 662939382 /nfs/dbraw/zinc/93/93/82/662939382.db2.gz UDLFRAUJWGAFQI-CVGRLMLNSA-N 1 0 384.314 2.814 20 0 GFADRO Cc1ncc(Br)cc1NC(=O)N1CCC([NH2+]C2CCOCC2)CC1 ZINC000879785941 662939397 /nfs/dbraw/zinc/93/93/97/662939397.db2.gz KUSMLJRRVURONX-UHFFFAOYSA-N 1 0 397.317 2.917 20 0 GFADRO C[NH+]1CCC(ONC(=O)c2ccc(OC(F)F)c(Br)c2)CC1 ZINC000879880553 662941378 /nfs/dbraw/zinc/94/13/78/662941378.db2.gz FFJDRVFVFWXOEQ-UHFFFAOYSA-N 1 0 379.201 2.806 20 0 GFADRO Cn1nc2c(c1C(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)cc1)CSCC2 ZINC000879898595 662941769 /nfs/dbraw/zinc/94/17/69/662941769.db2.gz GYSFAMSGUGEFGF-MRXNPFEDSA-N 1 0 378.929 2.896 20 0 GFADRO O[C@H](CN1CCC[C@H]([NH2+]C2CCOCC2)C1)c1ccc(Br)cc1 ZINC000880201249 662954335 /nfs/dbraw/zinc/95/43/35/662954335.db2.gz IKWBQZSAORWOTN-ZWKOTPCHSA-N 1 0 383.330 2.716 20 0 GFADRO O=C1Nc2ccc(Br)cc2CC[C@H]1[NH+]1CCC2(CC1)COCCO2 ZINC000880548849 662962197 /nfs/dbraw/zinc/96/21/97/662962197.db2.gz FSEWZKPRLYCTMC-MRXNPFEDSA-N 1 0 395.297 2.584 20 0 GFADRO O=C(Nc1cccc(F)c1Br)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000881140593 662983120 /nfs/dbraw/zinc/98/31/20/662983120.db2.gz FHYANXLBGFSNTI-KBPBESRZSA-N 1 0 386.265 2.651 20 0 GFADRO CC1(C)OC[C@H](CCn2cc([C@@H]([NH3+])c3ccc(Br)cc3)nn2)O1 ZINC000881395710 662992563 /nfs/dbraw/zinc/99/25/63/662992563.db2.gz UOFFJHDUHICLTF-ZFWWWQNUSA-N 1 0 381.274 2.630 20 0 GFADRO O[C@H](Cn1cc(CC[NH+]2CCCCC2)nn1)c1ccc(F)c(Br)c1 ZINC000881418684 662993549 /nfs/dbraw/zinc/99/35/49/662993549.db2.gz VZRWHBNUNHPKOQ-QGZVFWFLSA-N 1 0 397.292 2.942 20 0 GFADRO C[C@@](O)(Cn1cc(C[NH2+]C2CC2)nn1)c1ccc(Br)cc1Cl ZINC000881425112 662993880 /nfs/dbraw/zinc/99/38/80/662993880.db2.gz SEMBEDYKAUPYAJ-OAHLLOKOSA-N 1 0 385.693 2.854 20 0 GFADRO O=C(Cc1cccc(Br)c1)N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000881471215 662995374 /nfs/dbraw/zinc/99/53/74/662995374.db2.gz BWGUEVVMQNFMTG-QGZVFWFLSA-N 1 0 381.314 2.751 20 0 GFADRO O=C(Cc1ccccc1Br)N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000881471147 662995379 /nfs/dbraw/zinc/99/53/79/662995379.db2.gz AFSNAZWDYVNVPJ-MRXNPFEDSA-N 1 0 381.314 2.751 20 0 GFADRO O=C(Cc1ccc(F)cc1Br)N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000881477501 662995450 /nfs/dbraw/zinc/99/54/50/662995450.db2.gz XBZIFRNPNLZHKS-INIZCTEOSA-N 1 0 399.304 2.890 20 0 GFADRO Brc1nnc2ccc(N3CCC(C[NH+]4CCCCC4)CC3)nn12 ZINC000881857563 663006382 /nfs/dbraw/zinc/00/63/82/663006382.db2.gz FZRJRTROLBDXRU-UHFFFAOYSA-N 1 0 379.306 2.589 20 0 GFADRO Brc1nnc2ccc(NC3CC[NH+](CC4CCCC4)CC3)nn12 ZINC000881857990 663006449 /nfs/dbraw/zinc/00/64/49/663006449.db2.gz FVSNSQZUPKHGBX-UHFFFAOYSA-N 1 0 379.306 2.953 20 0 GFADRO N=[S@](=O)(c1ccc(N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)cc1)C(F)(F)F ZINC000881915150 663009709 /nfs/dbraw/zinc/00/97/09/663009709.db2.gz JAPKCLBXULIBBV-XHQUFGICSA-N 1 0 377.432 2.647 20 0 GFADRO CC[C@@H](C[NH+]1CCCC1)Nc1cnn(CC(F)(F)F)c(=O)c1Br ZINC000881988495 663012599 /nfs/dbraw/zinc/01/25/99/663012599.db2.gz DRPQCWHSUDXWDX-JTQLQIEISA-N 1 0 397.239 2.854 20 0 GFADRO C[S@](=O)(=NS(=O)(=O)NCCCCC[NH+]1CCCC1)C1CCCCC1 ZINC000882221883 663021168 /nfs/dbraw/zinc/02/11/68/663021168.db2.gz CBMXJVPAMRVVMH-HSZRJFAPSA-N 1 0 379.592 2.517 20 0 GFADRO CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cnc(Cl)cc1C(F)(F)F ZINC000882233831 663021759 /nfs/dbraw/zinc/02/17/59/663021759.db2.gz CRDHFZJMGKYMCC-UHFFFAOYSA-N 1 0 385.839 2.859 20 0 GFADRO C[C@]1(C(=O)N2CCC(C)([NH+]3CCC3)CC2)CC1(Br)Br ZINC000882510604 663029602 /nfs/dbraw/zinc/02/96/02/663029602.db2.gz OJBAWPUYBYQKMV-CYBMUJFWSA-N 1 0 394.151 2.969 20 0 GFADRO C[C@H]1CN(S(=O)(=O)c2cc(Cl)cnc2Cl)CCN1c1cc[nH+]cc1 ZINC000882619329 663033459 /nfs/dbraw/zinc/03/34/59/663033459.db2.gz GTXVZXPRNQYVAO-NSHDSACASA-N 1 0 387.292 2.683 20 0 GFADRO N=[S@@](=O)(c1ccc(N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)cc1)C(F)(F)F ZINC000882635583 663034346 /nfs/dbraw/zinc/03/43/46/663034346.db2.gz ILQMAIQYZSCDNJ-DLUDVSRJSA-N 1 0 377.432 2.647 20 0 GFADRO CC(=O)Nc1ccc(S(=O)(=O)N2CCC(C)([NH+]3CCC3)CC2)cc1Cl ZINC000882768756 663041210 /nfs/dbraw/zinc/04/12/10/663041210.db2.gz RAHCMBLQCAJAFC-UHFFFAOYSA-N 1 0 385.917 2.547 20 0 GFADRO C[NH+](C)C1(C)CCC(NC(=O)c2ncc(I)s2)CC1 ZINC000883121998 663050191 /nfs/dbraw/zinc/05/01/91/663050191.db2.gz XRSNEZRUESEUMQ-UHFFFAOYSA-N 1 0 393.294 2.740 20 0 GFADRO COC[C@H]([NH2+]CCCNC(=O)c1cccc(Br)c1)[C@H]1CCCOC1 ZINC000883184242 663051058 /nfs/dbraw/zinc/05/10/58/663051058.db2.gz RYPAFHGRYKHGIC-RDJZCZTQSA-N 1 0 399.329 2.600 20 0 GFADRO COC[C@H]([NH2+]Cc1cc(Br)c(OC)c(OC)c1)[C@H]1CCCOC1 ZINC000883201316 663051346 /nfs/dbraw/zinc/05/13/46/663051346.db2.gz COGGRNVGCCYMRL-ZFWWWQNUSA-N 1 0 388.302 2.998 20 0 GFADRO COC(=O)c1cc(C[NH2+][C@@]2(c3ccc(Br)cc3)C[C@@H](O)C2)c[nH]1 ZINC000883232924 663051664 /nfs/dbraw/zinc/05/16/64/663051664.db2.gz VYHLQWUNQWIMMS-KDYLLFBJSA-N 1 0 379.254 2.704 20 0 GFADRO O=C(NCc1cccc(Br)c1)N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000883232016 663051687 /nfs/dbraw/zinc/05/16/87/663051687.db2.gz YXCHVRSSPQRDFQ-KRWDZBQOSA-N 1 0 396.329 2.892 20 0 GFADRO O=C(NCc1ccc(Br)cc1)N1CCC([NH2+]C2CCOCC2)CC1 ZINC000883347211 663053663 /nfs/dbraw/zinc/05/36/63/663053663.db2.gz OMATUVDRIAXVEA-UHFFFAOYSA-N 1 0 396.329 2.892 20 0 GFADRO CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]C[C@@H](O)C(F)(F)C(F)(F)F)cc1 ZINC000883359583 663053803 /nfs/dbraw/zinc/05/38/03/663053803.db2.gz JRZISRGXRXNSCI-JOYOIKCWSA-N 1 0 390.374 2.657 20 0 GFADRO CS(=O)(=O)[C@H]1C[C@H]([NH2+][C@H](c2cccc(Br)c2)[C@@H]2CCOC2)C1 ZINC000883376300 663054235 /nfs/dbraw/zinc/05/42/35/663054235.db2.gz IGQSSEIQMRPEDF-DTZQCDIJSA-N 1 0 388.327 2.692 20 0 GFADRO COc1cc(OC)c(NC(=O)N2CCc3sc(C[NH3+])nc3C2)cc1Cl ZINC000883523700 663056631 /nfs/dbraw/zinc/05/66/31/663056631.db2.gz AYOJJWPYUBFXEJ-UHFFFAOYSA-N 1 0 382.873 2.863 20 0 GFADRO CCC1([NH3+])CCN(C(=O)Nc2ccnn2-c2ccc(Br)cn2)CC1 ZINC000883561727 663057134 /nfs/dbraw/zinc/05/71/34/663057134.db2.gz PRRJUZIOMCTWAR-UHFFFAOYSA-N 1 0 393.289 2.765 20 0 GFADRO CN(Cc1cscc1Br)C(=O)C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000883629636 663058506 /nfs/dbraw/zinc/05/85/06/663058506.db2.gz BENCPYZMBNAIDK-UHFFFAOYSA-N 1 0 394.294 2.711 20 0 GFADRO [NH3+][C@@H](C(=O)NC[C@H](CCO)c1ccccc1)c1ccc(Br)cc1 ZINC000884139746 663065773 /nfs/dbraw/zinc/06/57/73/663065773.db2.gz AMVJQKWAWBPTLJ-DOTOQJQBSA-N 1 0 377.282 2.731 20 0 GFADRO C[C@@H](NC(=O)[C@H]([NH3+])CC1CC1)c1nc(-c2ccc(Br)cc2)no1 ZINC000884173720 663066379 /nfs/dbraw/zinc/06/63/79/663066379.db2.gz CJYKLLWBPRAHBX-NOZJJQNGSA-N 1 0 379.258 2.804 20 0 GFADRO COCC[C@@H]([NH3+])C(=O)Nc1ccc(Oc2cccc(Br)c2)nc1 ZINC000884209325 663067143 /nfs/dbraw/zinc/06/71/43/663067143.db2.gz XHASSXOREVNYLY-CQSZACIVSA-N 1 0 380.242 2.939 20 0 GFADRO CC1(C)[C@H](NC(=O)c2nn(-c3ccc(F)cc3)cc2Br)C[C@@H]1[NH3+] ZINC000884356063 663069594 /nfs/dbraw/zinc/06/95/94/663069594.db2.gz XQYRVLVFJJYGHC-QWHCGFSZSA-N 1 0 381.249 2.630 20 0 GFADRO [NH3+][C@@H](C(=O)N1CCO[C@@H](CC(F)(F)F)C1)c1ccc(Br)cc1 ZINC000884419404 663070440 /nfs/dbraw/zinc/07/04/40/663070440.db2.gz PSXOCOVCSDHYEX-NWDGAFQWSA-N 1 0 381.192 2.629 20 0 GFADRO [NH3+][C@@H](C(=O)NC[C@H](n1cccn1)C(F)(F)F)c1ccc(Br)cc1 ZINC000884429145 663070656 /nfs/dbraw/zinc/07/06/56/663070656.db2.gz YXOFYTVMQQVRHM-NWDGAFQWSA-N 1 0 391.191 2.565 20 0 GFADRO O=c1c(Br)nn(C[N@@H+]2CC[C@H]([C@@H]3CCCO3)C2)c2ccccc12 ZINC000884481024 663071353 /nfs/dbraw/zinc/07/13/53/663071353.db2.gz FEZQSOYBCWUXTO-WFASDCNBSA-N 1 0 378.270 2.617 20 0 GFADRO Cc1cc(Br)c(S(=O)(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)s1 ZINC000884953141 663079485 /nfs/dbraw/zinc/07/94/85/663079485.db2.gz USIURZSJKRHTCD-WDEREUQCSA-N 1 0 379.345 2.724 20 0 GFADRO O=S(=O)(Cc1cc(F)ccc1Br)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000884960440 663079858 /nfs/dbraw/zinc/07/98/58/663079858.db2.gz VNCARTDHQMYOPU-UONOGXRCSA-N 1 0 391.306 2.634 20 0 GFADRO C[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@](O)(c2ccc(Br)cc2)C1 ZINC000884969595 663081291 /nfs/dbraw/zinc/08/12/91/663081291.db2.gz KSBIVSBFTZOECU-SCLBCKFNSA-N 1 0 392.297 2.861 20 0 GFADRO O=C(CCc1cc(F)ccc1Br)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000885879138 663100238 /nfs/dbraw/zinc/10/02/38/663100238.db2.gz FBQDLYKRGZFOED-MRXNPFEDSA-N 1 0 399.304 2.890 20 0 GFADRO O=C(NC[C@H]1CC[N@@H+]1C1CCOCC1)c1nc(Br)sc1Cl ZINC000885889214 663100511 /nfs/dbraw/zinc/10/05/11/663100511.db2.gz YZCKXKODHTYQSI-SECBINFHSA-N 1 0 394.722 2.542 20 0 GFADRO COc1c(Br)ccc(C)c1C(=O)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000885888940 663100527 /nfs/dbraw/zinc/10/05/27/663100527.db2.gz UFXGKUDABMDFKX-AWEZNQCLSA-N 1 0 397.313 2.749 20 0 GFADRO O[C@@H]1CC[C@H]([NH2+]Cc2cc(Br)ccc2OC(F)F)CC[C@@H]1O ZINC000886257893 663106349 /nfs/dbraw/zinc/10/63/49/663106349.db2.gz OLGGBYVCSDDGMB-CLLJXQQHSA-N 1 0 380.229 2.805 20 0 GFADRO Cc1nn(-c2ccccc2Br)cc1C[NH2+][C@@H]1CC[C@@H](O)[C@@H](O)CC1 ZINC000886262679 663106494 /nfs/dbraw/zinc/10/64/94/663106494.db2.gz XWWWSPFWNKQUFX-GJWQZFMSSA-N 1 0 394.313 2.697 20 0 GFADRO O[C@@H]1CC[C@@H]([NH2+]C2CCN(Cc3ccccc3Br)CC2)CC[C@@H]1O ZINC000886260219 663106518 /nfs/dbraw/zinc/10/65/18/663106518.db2.gz RKXYLUKBYKRPHU-OHFIKTQHSA-N 1 0 397.357 2.668 20 0 GFADRO Cc1cc(Br)cc(C[NH2+][C@H]2CS(=O)(=O)C[C@H]2C)c1OC(F)F ZINC000886294837 663107636 /nfs/dbraw/zinc/10/76/36/663107636.db2.gz WSGIQEFFJZSYPY-SKDRFNHKSA-N 1 0 398.269 2.882 20 0 GFADRO CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]C[C@@H]1CC[C@]2(CO[C@@H](C)C2)O1 ZINC000886332231 663108380 /nfs/dbraw/zinc/10/83/80/663108380.db2.gz QKUIRMNIRHJDKG-YEWWUXTCSA-N 1 0 387.929 2.950 20 0 GFADRO COC[C@H]([NH2+]Cc1ccccc1I)[C@H]1CCCOC1 ZINC000886359574 663108936 /nfs/dbraw/zinc/10/89/36/663108936.db2.gz FRBVVKMHWIMUHN-ZFWWWQNUSA-N 1 0 375.250 2.822 20 0 GFADRO CC(C)[C@H]([NH2+]C[C@@H](O)COc1ccccc1Br)c1cnn(C)c1 ZINC000886551790 663113660 /nfs/dbraw/zinc/11/36/60/663113660.db2.gz OOOZBPNFMXTWEC-PBHICJAKSA-N 1 0 382.302 2.909 20 0 GFADRO Cn1ccn2c(CC[NH2+][C@@H]3CCc4cc(Cl)cc(Cl)c43)nnc2c1=O ZINC000886698230 663115821 /nfs/dbraw/zinc/11/58/21/663115821.db2.gz AQYWEFVWVJSWAL-CYBMUJFWSA-N 1 0 378.263 2.554 20 0 GFADRO C[NH+](C)Cc1ccc(C(=O)NC2(c3ncc(Br)cn3)CCC2)cn1 ZINC000886840774 663122037 /nfs/dbraw/zinc/12/20/37/663122037.db2.gz QFAQXVOCDFXPTJ-UHFFFAOYSA-N 1 0 390.285 2.505 20 0 GFADRO COc1cc(C)c(S(=O)(=O)NC[C@H]2C[NH2+]CCC2(F)F)cc1C(C)C ZINC000886898038 663124070 /nfs/dbraw/zinc/12/40/70/663124070.db2.gz PRQGDGDMUBPILE-CYBMUJFWSA-N 1 0 376.469 2.650 20 0 GFADRO COC[C@H]([NH2+]C[C@@H](O)COc1cc(Cl)cc(Cl)c1)[C@H]1CCCOC1 ZINC000886916397 663124891 /nfs/dbraw/zinc/12/48/91/663124891.db2.gz UKRNNIGRQMBHSY-MJEQTWJJSA-N 1 0 378.296 2.764 20 0 GFADRO [NH3+][C@@H]1CCC[C@H](NC(=O)C(=O)Nc2cc(Br)c3ccccc3c2)C1 ZINC000886983536 663127120 /nfs/dbraw/zinc/12/71/20/663127120.db2.gz AWNNAXGDNBGBJN-OLZOCXBDSA-N 1 0 390.281 2.927 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)Nc2cc(Br)c3ccccc3c2)C1 ZINC000886984090 663127363 /nfs/dbraw/zinc/12/73/63/663127363.db2.gz QOGNVJRCWVMBCX-WCQYABFASA-N 1 0 390.281 2.737 20 0 GFADRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)C(=O)Nc2cc(Br)c3ccccc3c2)C1 ZINC000886983582 663127369 /nfs/dbraw/zinc/12/73/69/663127369.db2.gz CGWNMYXRYLCTNL-DGCLKSJQSA-N 1 0 390.281 2.784 20 0 GFADRO CCN(C(=O)C(=O)Nc1cccc(Cl)c1SCC(F)F)[C@H]1CC[NH2+]C1 ZINC000887001640 663128342 /nfs/dbraw/zinc/12/83/42/663128342.db2.gz ZCXPIAWRXMVAMZ-JTQLQIEISA-N 1 0 391.871 2.846 20 0 GFADRO Cn1ncc(NC(=O)C[C@@H](c2ccccc2)[NH+](C)C)c1I ZINC000887067390 663131338 /nfs/dbraw/zinc/13/13/38/663131338.db2.gz JVCHFRKASKNDLT-ZDUSSCGKSA-N 1 0 398.248 2.656 20 0 GFADRO CS(=O)(=O)N1CCCc2cc(-c3csc([C@@H]4CCC[NH2+]C4)n3)ccc21 ZINC000887275594 663140577 /nfs/dbraw/zinc/14/05/77/663140577.db2.gz KHRYPPVEVOJOCQ-OAHLLOKOSA-N 1 0 377.535 2.989 20 0 GFADRO CSCCNc1nc(-c2cn(CCC[NH+]3CCSCC3)nn2)c(C)s1 ZINC000887506065 663150034 /nfs/dbraw/zinc/15/00/34/663150034.db2.gz LYNFTNLCYHABLG-UHFFFAOYSA-N 1 0 398.627 2.924 20 0 GFADRO C[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3[C@@H]4c5ccc(Br)cc5C[C@H]34)C[C@]2(C)C1 ZINC000887921297 663169984 /nfs/dbraw/zinc/16/99/84/663169984.db2.gz AMFVJDFYNCIOSA-BQXVCNAFSA-N 1 0 375.310 2.745 20 0 GFADRO C[N@@H+]1CCC[C@H](CNC(=O)N[C@@H](CCO)C(F)(F)F)[C@@H]1c1cccs1 ZINC000888366101 663191316 /nfs/dbraw/zinc/19/13/16/663191316.db2.gz CYWOKPVHWKHKPM-KWCYVHTRSA-N 1 0 379.448 2.744 20 0 GFADRO Cc1cc(Cl)c(NC(=O)NCC2(O)CC[NH+](C)CC2)cc1Br ZINC000888436540 663198381 /nfs/dbraw/zinc/19/83/81/663198381.db2.gz WLTVUCUZTTYBEQ-UHFFFAOYSA-N 1 0 390.709 2.989 20 0 GFADRO C[C@H]1C[C@@H](C(=O)Nc2cc(Br)ccc2-n2cncn2)CC[N@@H+]1C ZINC000888593569 663206760 /nfs/dbraw/zinc/20/67/60/663206760.db2.gz BMFILLGUFDWXFJ-RYUDHWBXSA-N 1 0 378.274 2.699 20 0 GFADRO Cc1ccc(NC(=O)c2cn(C)nc2Br)c(OCC[NH+](C)C)c1 ZINC000889089928 663231706 /nfs/dbraw/zinc/23/17/06/663231706.db2.gz SEAOBCKUOMXWIB-UHFFFAOYSA-N 1 0 381.274 2.684 20 0 GFADRO C[NH+](C)CCOc1cc(NC(=O)c2nc(F)ccc2Br)ccn1 ZINC000889753694 663263473 /nfs/dbraw/zinc/26/34/73/663263473.db2.gz ARMIKRKFWNIVNH-UHFFFAOYSA-N 1 0 383.221 2.571 20 0 GFADRO Cc1cc(C(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)c(C)cc1Br ZINC000889760348 663264049 /nfs/dbraw/zinc/26/40/49/663264049.db2.gz FDRHBDOJSIPOJA-IAGOWNOFSA-N 1 0 381.314 2.737 20 0 GFADRO O=C(c1ccc(Br)cc1Cl)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000889773844 663265543 /nfs/dbraw/zinc/26/55/43/663265543.db2.gz LBGAIWBOISRELY-LSDHHAIUSA-N 1 0 387.705 2.774 20 0 GFADRO O=C(c1cc2cc(Br)ccc2o1)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000889775111 663265948 /nfs/dbraw/zinc/26/59/48/663265948.db2.gz LDWSHJUIBORAGK-HUUCEWRRSA-N 1 0 393.281 2.867 20 0 GFADRO O=C(c1cc2ccc(Br)cc2[nH]1)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000889775328 663266205 /nfs/dbraw/zinc/26/62/05/663266205.db2.gz MBQWLRGFEDQMCQ-IAGOWNOFSA-N 1 0 392.297 2.602 20 0 GFADRO CN1CC[NH+](CC2(C)CCN(C(=O)NCc3cscc3Cl)CC2)CC1 ZINC000890347575 663296704 /nfs/dbraw/zinc/29/67/04/663296704.db2.gz QPMLQXLWIYOALG-UHFFFAOYSA-N 1 0 384.977 2.961 20 0 GFADRO C[C@H]1C[C@H]([NH3+])CN1C(=O)NCc1cc(Br)ccc1OC(F)F ZINC000891471589 663340359 /nfs/dbraw/zinc/34/03/59/663340359.db2.gz JICUBBHBPRZFSI-KWQFWETISA-N 1 0 378.217 2.682 20 0 GFADRO COc1ccc([C@H](CNc2ccc(Br)nn2)[NH+](C)C)cc1OC ZINC000891488789 663341083 /nfs/dbraw/zinc/34/10/83/663341083.db2.gz AWHGFOHOXMVDHQ-LBPRGKRZSA-N 1 0 381.274 2.971 20 0 GFADRO O=C(NCCc1nc(C(F)(F)F)cs1)N1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000891618578 663345638 /nfs/dbraw/zinc/34/56/38/663345638.db2.gz QUBIHFNTBRINRE-OAHLLOKOSA-N 1 0 376.448 2.880 20 0 GFADRO CCOC(=O)c1ncc(Br)c(NC2CC(C)(C)[NH2+]C(C)(C)C2)n1 ZINC000891667936 663346830 /nfs/dbraw/zinc/34/68/30/663346830.db2.gz LBVDFHLBLURBBZ-UHFFFAOYSA-N 1 0 385.306 2.559 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)NCc2cc(Cl)cc3c2OCC3)C[C@H]1C(F)(F)F ZINC000891781535 663350429 /nfs/dbraw/zinc/35/04/29/663350429.db2.gz BEVJORHFPSDGGJ-DGCLKSJQSA-N 1 0 377.794 2.554 20 0 GFADRO F[C@@H]1CC2(CC[C@H]1[NH+]1CCC(n3cc(Br)cn3)CC1)OCCO2 ZINC000892022969 663359485 /nfs/dbraw/zinc/35/94/85/663359485.db2.gz FQJCMWXHNJWKPT-HUUCEWRRSA-N 1 0 388.281 2.916 20 0 GFADRO COc1ccc(OC)c(CN(CCO)Cc2ncc(Br)cc2[O-])c1 ZINC000892027734 663359711 /nfs/dbraw/zinc/35/97/11/663359711.db2.gz ISOTZZUWPCTVFC-UHFFFAOYSA-N 1 0 397.269 2.561 20 0 GFADRO CC[N@H+](C[C@]1(C)CCCN(C(=O)OC(C)(C)C)C1)[C@H](C)CS(C)(=O)=O ZINC000892041028 663360123 /nfs/dbraw/zinc/36/01/23/663360123.db2.gz FCGWVGJTNXFFAU-QAPCUYQASA-N 1 0 376.563 2.779 20 0 GFADRO CC1(CNC(=O)N[C@@H]2[C@H]3Cc4ccc(Br)cc4[C@@H]23)CC[NH2+]CC1 ZINC000892054073 663360509 /nfs/dbraw/zinc/36/05/09/663360509.db2.gz RVAVPQNIEOQNBX-ARFHVFGLSA-N 1 0 378.314 2.776 20 0 GFADRO C[C@](CO)(NC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1cccc(Br)c1 ZINC000892069348 663360907 /nfs/dbraw/zinc/36/09/07/663360907.db2.gz ITDXDLCJEAKPQT-JFIYKMOQSA-N 1 0 396.329 2.583 20 0 GFADRO CN(C[C@H](O)COc1cc(Cl)cc(Cl)c1)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000892082381 663361134 /nfs/dbraw/zinc/36/11/34/663361134.db2.gz YWQXHLZGWOLGJV-CABCVRRESA-N 1 0 390.311 2.517 20 0 GFADRO C[C@H](CCCC[NH3+])NC(=O)N(C)C[C@@H](O)COc1cc(Cl)cc(Cl)c1 ZINC000892136601 663362889 /nfs/dbraw/zinc/36/28/89/663362889.db2.gz YQGSDOMIWHPIGN-IUODEOHRSA-N 1 0 392.327 2.892 20 0 GFADRO C[C@@H]([NH3+])[C@H](C)NC(=O)N1CC2(CCOCC2)c2ccc(Br)cc21 ZINC000892141235 663363378 /nfs/dbraw/zinc/36/33/78/663363378.db2.gz HQPGAQBWMCGUCI-NEPJUHHUSA-N 1 0 382.302 2.763 20 0 GFADRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)NCc2ccn(-c3ccc(Br)cc3)n2)C1 ZINC000892175652 663364526 /nfs/dbraw/zinc/36/45/26/663364526.db2.gz MSTOPWIKHSFMFJ-TZMCWYRMSA-N 1 0 392.301 2.561 20 0 GFADRO Cc1c(Br)cccc1CNC(=O)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000892233531 663366757 /nfs/dbraw/zinc/36/67/57/663366757.db2.gz YGBCZJDBNIMIBA-LBPRGKRZSA-N 1 0 376.245 2.802 20 0 GFADRO [NH3+][C@H](CCNC(=O)NCc1ccc(Br)cn1)Cc1ccccc1 ZINC000892414199 663372767 /nfs/dbraw/zinc/37/27/67/663372767.db2.gz LKOIZQNYUJJRLH-OAHLLOKOSA-N 1 0 377.286 2.603 20 0 GFADRO [NH3+]C[C@H]1CC[C@H](NC(=O)N[C@H](CCO)c2ccccc2Br)CC1 ZINC000892445147 663373824 /nfs/dbraw/zinc/37/38/24/663373824.db2.gz LMMBISZOGKWFGA-XJKCOSOUSA-N 1 0 384.318 2.689 20 0 GFADRO CC1(C)C[NH2+]CC[C@H](NC(=O)NC[C@H](O)c2cccc(Br)c2)C1 ZINC000892493462 663375477 /nfs/dbraw/zinc/37/54/77/663375477.db2.gz KDFQRDPMANGAIA-GJZGRUSLSA-N 1 0 384.318 2.560 20 0 GFADRO C[C@@]1(Br)C[C@H]1C[NH2+]C1CCN(CC(=O)Nc2ccccc2)CC1 ZINC000892544554 663376938 /nfs/dbraw/zinc/37/69/38/663376938.db2.gz MQGPBHFRYUODOR-KBXCAEBGSA-N 1 0 380.330 2.853 20 0 GFADRO C[C@@H]1CN([C@H](C[NH2+]C2CCS(=O)CC2)c2c(F)cccc2Cl)CCO1 ZINC000892584346 663377899 /nfs/dbraw/zinc/37/78/99/663377899.db2.gz JHUUSMYHFKLMAO-UBYXFDLHSA-N 1 0 388.936 2.742 20 0 GFADRO C[C@]1(NC(=O)c2ccc(F)cc2I)C[NH+]2CCC1CC2 ZINC000892789355 663384768 /nfs/dbraw/zinc/38/47/68/663384768.db2.gz QMBDQNYHVDUYHB-HNNXBMFYSA-N 1 0 388.224 2.644 20 0 GFADRO Nc1cc(NCc2ccccc2CS(=O)(=O)N2CCCC2)c(Cl)c[nH+]1 ZINC000892977351 663391776 /nfs/dbraw/zinc/39/17/76/663391776.db2.gz PDWSVWVYMZSABM-UHFFFAOYSA-N 1 0 380.901 2.855 20 0 GFADRO C[NH+]1CCC(C[NH2+]Cc2ncc(Br)cc2[O-])(N2CCCCC2)CC1 ZINC000893070428 663395750 /nfs/dbraw/zinc/39/57/50/663395750.db2.gz VSBGXQGNJCOXBY-UHFFFAOYSA-N 1 0 397.361 2.590 20 0 GFADRO CCCOc1ccc(C[NH2+][C@@H](C)[C@H]2CCS(=O)(=O)C2)c(OC(F)F)c1 ZINC000893104402 663396576 /nfs/dbraw/zinc/39/65/76/663396576.db2.gz YAMCGLUGCMRNSB-JSGCOSHPSA-N 1 0 377.453 2.990 20 0 GFADRO COCCOC[C@H](C)[NH2+][C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000893140217 663398515 /nfs/dbraw/zinc/39/85/15/663398515.db2.gz SIZSYFMSHDONJF-AAEUAGOBSA-N 1 0 381.826 2.974 20 0 GFADRO C[C@H](Cc1ccc(F)c(Br)c1)[NH2+][C@@H](C)[C@H]1CCS(=O)(=O)C1 ZINC000893166468 663399794 /nfs/dbraw/zinc/39/97/94/663399794.db2.gz BGHMHJXJWICNCU-MDZLAQPJSA-N 1 0 378.307 2.932 20 0 GFADRO CC(C)CS(=O)(=O)N1CCC([NH2+]Cc2cnc(CC(F)(F)F)s2)CC1 ZINC000893317305 663406956 /nfs/dbraw/zinc/40/69/56/663406956.db2.gz DJXXLPMPVLJZGN-UHFFFAOYSA-N 1 0 399.504 2.788 20 0 GFADRO C[C@H]1CN(C(=O)c2nc(F)ccc2Br)CCN1c1cc[nH+]cc1 ZINC000893446976 663411857 /nfs/dbraw/zinc/41/18/57/663411857.db2.gz OLNIWPMLGTZFQQ-NSHDSACASA-N 1 0 379.233 2.729 20 0 GFADRO COc1cc(Br)ccc1CCC[NH2+][C@H](C)[C@H]1CCS(=O)(=O)C1 ZINC000893528433 663414193 /nfs/dbraw/zinc/41/41/93/663414193.db2.gz XHTHUANEJGUPJN-OCCSQVGLSA-N 1 0 390.343 2.803 20 0 GFADRO Cc1[nH+]ccc(N2CC[C@@H]3CN(C(=O)C(F)(F)F)C[C@H]3C2)c1Br ZINC000894067310 663440318 /nfs/dbraw/zinc/44/03/18/663440318.db2.gz PUAUAGFJIZMWBF-GHMZBOCLSA-N 1 0 392.219 3.000 20 0 GFADRO Cc1cc(Br)cn2cc(CNC(=O)N(C)[C@H]3CCC[N@H+](C)C3)nc12 ZINC000894193709 663447877 /nfs/dbraw/zinc/44/78/77/663447877.db2.gz GZNTWTNYMRUZCC-HNNXBMFYSA-N 1 0 394.317 2.641 20 0 GFADRO CN(C)C(=O)CCN1CCC([NH2+]Cc2cc3ccnc(Cl)c3s2)CC1 ZINC000894230251 663449997 /nfs/dbraw/zinc/44/99/97/663449997.db2.gz HUJYNEXALCITHR-UHFFFAOYSA-N 1 0 380.945 2.982 20 0 GFADRO O=S(=O)(NCCC[NH2+]Cc1nnc(C2CC2)s1)c1ccccc1Cl ZINC000894231713 663450135 /nfs/dbraw/zinc/45/01/35/663450135.db2.gz RWFSAWQUXWGJFS-UHFFFAOYSA-N 1 0 386.930 2.527 20 0 GFADRO CN1C(=O)N[C@]2(CCC[C@H]2C[NH2+]Cc2cc3ccnc(Cl)c3s2)C1=O ZINC000894317232 663453994 /nfs/dbraw/zinc/45/39/94/663453994.db2.gz KSKYTNIHIQWDOV-GTNSWQLSSA-N 1 0 378.885 2.760 20 0 GFADRO C[C@H]([NH2+]Cc1sc(N2CCOCC2)nc1Cl)[C@H](O)c1cccc(F)c1 ZINC000894325207 663454644 /nfs/dbraw/zinc/45/46/44/663454644.db2.gz GCLNFHROZVXXPS-NHYWBVRUSA-N 1 0 385.892 2.984 20 0 GFADRO C[C@H]([NH2+]Cc1sc(N2CCOCC2)nc1Cl)[C@@H](O)c1cccc(F)c1 ZINC000894325208 663454768 /nfs/dbraw/zinc/45/47/68/663454768.db2.gz GCLNFHROZVXXPS-XHDPSFHLSA-N 1 0 385.892 2.984 20 0 GFADRO C[C@@H]([NH2+]Cc1sc(N2CCOCC2)nc1Cl)[C@@H](O)Cc1ccccc1 ZINC000894358808 663457390 /nfs/dbraw/zinc/45/73/90/663457390.db2.gz KNITVXNCQIOCDR-HIFRSBDPSA-N 1 0 381.929 2.715 20 0 GFADRO CC(C)C[C@H]1C[C@@H]([NH2+]Cc2c(I)cnn2C)CCO1 ZINC000894376421 663458983 /nfs/dbraw/zinc/45/89/83/663458983.db2.gz QXXXIXCIAUEDHD-RYUDHWBXSA-N 1 0 377.270 2.708 20 0 GFADRO Cc1cnc([C@@H](C)C[NH2+]Cc2cn(C)nc2I)s1 ZINC000894460160 663462949 /nfs/dbraw/zinc/46/29/49/663462949.db2.gz GMHMXMQCJLNCOK-QMMMGPOBSA-N 1 0 376.267 2.683 20 0 GFADRO C[C@H](NCc1c(I)cnn1C)[C@H](c1ccccc1)[NH+](C)C ZINC000894480424 663464407 /nfs/dbraw/zinc/46/44/07/663464407.db2.gz OBIJOSHJIYNBQF-BLLLJJGKSA-N 1 0 398.292 2.806 20 0 GFADRO Cn1nc(Br)nc1CNC[C@@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000894491947 663464929 /nfs/dbraw/zinc/46/49/29/663464929.db2.gz WFUZMQWPVINPAG-HNNXBMFYSA-N 1 0 378.318 2.578 20 0 GFADRO C[C@@H]([NH2+]CCc1c[nH]c2cccc(Br)c12)[C@H]1CCS(=O)(=O)C1 ZINC000894534169 663467498 /nfs/dbraw/zinc/46/74/98/663467498.db2.gz LOCTWNCNVCDQOT-YPMHNXCESA-N 1 0 385.327 2.886 20 0 GFADRO O=S1(=O)C[C@@H](C[NH2+]Cc2cnc(CC(F)(F)F)s2)c2ccccc21 ZINC000894660587 663475272 /nfs/dbraw/zinc/47/52/72/663475272.db2.gz GKLSQNCCDHYCFO-SNVBAGLBSA-N 1 0 376.425 2.909 20 0 GFADRO C[N@@H+]1C[C@@H]2CN(C(=O)N[C@@H](c3cncc(Br)c3)C3CC3)C[C@]2(C)C1 ZINC000894689980 663476176 /nfs/dbraw/zinc/47/61/76/663476176.db2.gz MFPLNHDQOQUEBX-KYJSFNMBSA-N 1 0 393.329 2.888 20 0 GFADRO Cn1nc(Br)nc1CN1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000894747762 663479076 /nfs/dbraw/zinc/47/90/76/663479076.db2.gz NKLGKRQGCLLOHG-SFHVURJKSA-N 1 0 390.329 2.676 20 0 GFADRO NC(=O)OC[C@@H](Cc1ccccc1)[NH2+]Cc1ncc(Br)cc1O ZINC000894905406 663487584 /nfs/dbraw/zinc/48/75/84/663487584.db2.gz ZVZXOTCAOMIWLJ-CYBMUJFWSA-N 1 0 380.242 2.760 20 0 GFADRO Cc1ncc(I)c(N2CCC(C)([NH+]3CCCC3)CC2)n1 ZINC000894904331 663487594 /nfs/dbraw/zinc/48/75/94/663487594.db2.gz QMMWBSVBEARJIT-UHFFFAOYSA-N 1 0 386.281 2.844 20 0 GFADRO Cc1ccnc(N)c1C[NH2+]C[C@@H](CO)Cc1cc(Br)ccc1F ZINC000894917300 663488122 /nfs/dbraw/zinc/48/81/22/663488122.db2.gz LXOCDDNIWYDDRW-LBPRGKRZSA-N 1 0 382.277 2.815 20 0 GFADRO C[NH+](C)CC1(O)CCN(c2nc(C(F)(F)F)c(Br)s2)CC1 ZINC000894953036 663491382 /nfs/dbraw/zinc/49/13/82/663491382.db2.gz FGUYNQZQUHHMSU-UHFFFAOYSA-N 1 0 388.253 2.817 20 0 GFADRO C[C@H]1C[C@H](NC(=O)N(C)CC(C)(C)C[NH+](C)C)c2ccsc2S1(=O)=O ZINC000894984454 663493440 /nfs/dbraw/zinc/49/34/40/663493440.db2.gz BAMFNQABCPDSNC-JSGCOSHPSA-N 1 0 387.571 2.584 20 0 GFADRO CCO[C@@H]1C[C@@H]([NH2+]Cc2sc(N3CCOCC3)nc2Cl)[C@@H]1SC ZINC000895087101 663498931 /nfs/dbraw/zinc/49/89/31/663498931.db2.gz VFOKVEBXGJMKFT-WZRBSPASSA-N 1 0 377.963 2.632 20 0 GFADRO C[C@H]([NH2+]Cc1ncc(Br)cc1O)c1ccc(N2CCNC2=O)cc1 ZINC000895101159 663499667 /nfs/dbraw/zinc/49/96/67/663499667.db2.gz ZXQCNIOOHVDAFX-NSHDSACASA-N 1 0 391.269 2.930 20 0 GFADRO CCC1([NH+]2CCC2)CCN(c2nc(C)ncc2I)CC1 ZINC000895231752 663504064 /nfs/dbraw/zinc/50/40/64/663504064.db2.gz PDOINURXBNQRLU-UHFFFAOYSA-N 1 0 386.281 2.844 20 0 GFADRO C[C@H](CC(=O)N1CCN(c2cc[nH+]cc2)C[C@@H]1C)n1cc(Br)cn1 ZINC000895264503 663505824 /nfs/dbraw/zinc/50/58/24/663505824.db2.gz BOJOZCBAKFMNIL-KGLIPLIRSA-N 1 0 392.301 2.729 20 0 GFADRO CC(C)(C)OC(=O)N1CC[C@](C)(C[NH2+]C[C@H](O)C(F)(F)C(F)(F)F)C1 ZINC000895678889 663522974 /nfs/dbraw/zinc/52/29/74/663522974.db2.gz XVTLZJUAJFXMFN-GXFFZTMASA-N 1 0 376.366 2.782 20 0 GFADRO Cn1cc(CCC[NH2+][C@H]2CCc3cc(Br)ccc3NC2=O)cn1 ZINC000895695387 663523389 /nfs/dbraw/zinc/52/33/89/663523389.db2.gz XDSFBPFFPWESFF-INIZCTEOSA-N 1 0 377.286 2.658 20 0 GFADRO Clc1cccc(-n2cc(C[NH+]3CCC4(CC3)COCCO4)nn2)c1Cl ZINC000895696269 663523629 /nfs/dbraw/zinc/52/36/29/663523629.db2.gz RBHDBWRIDUXQBM-UHFFFAOYSA-N 1 0 383.279 2.956 20 0 GFADRO Clc1ccc(-n2cc(C[NH+]3CCC4(CC3)COCCO4)nn2)c(Cl)c1 ZINC000895696116 663523795 /nfs/dbraw/zinc/52/37/95/663523795.db2.gz PSHYLUDKZVTRGI-UHFFFAOYSA-N 1 0 383.279 2.956 20 0 GFADRO C[C@@H](Cc1cccc(Br)c1)NC(=O)C1C[NH+](C2CCOCC2)C1 ZINC000895883080 663532103 /nfs/dbraw/zinc/53/21/03/663532103.db2.gz AQRYUIJHTIRBDE-ZDUSSCGKSA-N 1 0 381.314 2.607 20 0 GFADRO COc1ncc(Br)cc1CNC(=O)N(C)CC(C)(C)C[NH+](C)C ZINC000895983095 663536070 /nfs/dbraw/zinc/53/60/70/663536070.db2.gz IMIRRWGDIRBSAB-UHFFFAOYSA-N 1 0 387.322 2.582 20 0 GFADRO O=C(COCCc1ccc(Br)cc1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000896106884 663541072 /nfs/dbraw/zinc/54/10/72/663541072.db2.gz YUZGKKXGPCETSJ-KRWDZBQOSA-N 1 0 381.314 2.705 20 0 GFADRO CCO[P@@](C)(=O)CC[C@@H](C)[NH2+]CC1(S(=O)(=O)NC(C)(C)C)CCC1 ZINC000896281782 663548834 /nfs/dbraw/zinc/54/88/34/663548834.db2.gz IBJPYPKGPJEWID-QKFKETGDSA-N 1 0 382.507 2.940 20 0 GFADRO C[C@H](NC(=O)CCCc1ccc(Br)cc1)[C@@H]1C[N@H+](C)CCN1C ZINC000896530586 663560835 /nfs/dbraw/zinc/56/08/35/663560835.db2.gz UOGBSRSGOFLKOL-YOEHRIQHSA-N 1 0 382.346 2.522 20 0 GFADRO CC[C@H](C(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCN1C)c1ccc(Br)cc1 ZINC000896529518 663561101 /nfs/dbraw/zinc/56/11/01/663561101.db2.gz BUOSMLIWMXUTHF-COXVUDFISA-N 1 0 382.346 2.693 20 0 GFADRO CO[C@@]1(C[NH2+][C@H](C)COc2ccc(Cl)c(Cl)c2)CCS(=O)(=O)C1 ZINC000896682242 663571419 /nfs/dbraw/zinc/57/14/19/663571419.db2.gz JXPUSHHVTRNFMO-IAQYHMDHSA-N 1 0 382.309 2.554 20 0 GFADRO OCC[N@@H+]1CCC[C@@H]2[C@H]1CCN2c1nc(-c2ccc(Br)cc2)no1 ZINC000897220001 663594956 /nfs/dbraw/zinc/59/49/56/663594956.db2.gz RDANYPFVNLMYCQ-HUUCEWRRSA-N 1 0 393.285 2.535 20 0 GFADRO COc1cc(Br)ccc1[C@H](C)NC(=O)C1C[NH+](C2CCOCC2)C1 ZINC000897525877 663608340 /nfs/dbraw/zinc/60/83/40/663608340.db2.gz OAJXKHMUBNXWHU-LBPRGKRZSA-N 1 0 397.313 2.746 20 0 GFADRO C[C@H]1CCC[N@@H+]1CCNC(=O)N1CCCC[C@H]1c1ncc(Br)cn1 ZINC000897519243 663608357 /nfs/dbraw/zinc/60/83/57/663608357.db2.gz PLDBRVWTXLZAKQ-ZFWWWQNUSA-N 1 0 396.333 2.960 20 0 GFADRO CCOC(=O)COc1c(Br)cc(C)cc1C[NH2+][C@@H]1CC12CC(O)C2 ZINC000897848312 663622479 /nfs/dbraw/zinc/62/24/79/663622479.db2.gz KFWUFTLSIPQGHB-NSWWBONSSA-N 1 0 398.297 2.702 20 0 GFADRO CN1CCN(Cc2nc3ccc(Br)cc3s2)CC[N@H+](C)CC1 ZINC000897859113 663622770 /nfs/dbraw/zinc/62/27/70/663622770.db2.gz UBXWKLJHNSKSSB-UHFFFAOYSA-N 1 0 383.359 2.738 20 0 GFADRO O=C(C1C[NH+](C2CCOCC2)C1)N1CCc2c(F)ccc(Br)c2C1 ZINC000897869291 663622913 /nfs/dbraw/zinc/62/29/13/663622913.db2.gz IJVZSLOWTZMMDF-UHFFFAOYSA-N 1 0 397.288 2.584 20 0 GFADRO CO[C@H]1C[C@H]2C[C@H]([NH2+][C@@H]3Cc4cc(Br)cnc4NC3=O)C[C@H]2C1 ZINC000897977363 663627800 /nfs/dbraw/zinc/62/78/00/663627800.db2.gz DYZJIOBYCHOXHQ-BUVBEKAXSA-N 1 0 380.286 2.501 20 0 GFADRO Cc1nn(C)c(C[NH2+][C@H]2C[C@H](CNC(=O)OC(C)(C)C)C2)c1Br ZINC000898101829 663633124 /nfs/dbraw/zinc/63/31/24/663633124.db2.gz ZKTISGOOBMPYRE-HAQNSBGRSA-N 1 0 387.322 2.884 20 0 GFADRO Cc1ccc(Br)c(F)c1C[NH2+][C@@H]1CCN(c2cc(=O)[nH]cn2)C1 ZINC000898149560 663635486 /nfs/dbraw/zinc/63/54/86/663635486.db2.gz DSEXDXUDYAZPQJ-LLVKDONJSA-N 1 0 381.249 2.761 20 0 GFADRO Cc1ccc(Br)c(F)c1C[NH2+][C@H]1CCN(c2cc(=O)[nH]cn2)C1 ZINC000898149561 663635604 /nfs/dbraw/zinc/63/56/04/663635604.db2.gz DSEXDXUDYAZPQJ-NSHDSACASA-N 1 0 381.249 2.761 20 0 GFADRO O=c1cc(N2CC[C@H]([NH2+]Cc3c(F)ccc(Br)c3F)C2)nc[nH]1 ZINC000898152439 663636026 /nfs/dbraw/zinc/63/60/26/663636026.db2.gz IGWUJIVGAYLYBB-VIFPVBQESA-N 1 0 385.212 2.591 20 0 GFADRO CC(C)(C)OC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(S(N)(=O)=O)c(Cl)c1 ZINC000898166550 663636586 /nfs/dbraw/zinc/63/65/86/663636586.db2.gz IDKRUQYRFLMNKG-OCCSQVGLSA-N 1 0 388.917 2.587 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+][C@@H](c2ccncc2)C2CC2)cc1Br ZINC000898318583 663643506 /nfs/dbraw/zinc/64/35/06/663643506.db2.gz SHAADYUHIGBEIH-MRXNPFEDSA-N 1 0 396.310 2.732 20 0 GFADRO O=c1[nH]ncc(N2CC[C@@H]([NH2+]Cc3cnc(CC(F)(F)F)s3)C2)c1Cl ZINC000898372841 663645351 /nfs/dbraw/zinc/64/53/51/663645351.db2.gz YHFVFNLGXOCQNM-MRVPVSSYSA-N 1 0 393.822 2.765 20 0 GFADRO CCCc1ccc(C[NH2+][C@H]2CCS(=O)(=O)C3(CC(C(=O)OC)C3)C2)s1 ZINC000898489152 663652293 /nfs/dbraw/zinc/65/22/93/663652293.db2.gz WVHFFASJJOWREI-FVRSWCFKSA-N 1 0 385.551 2.689 20 0 GFADRO COC(=O)C1CC2(C1)C[C@@H]([NH2+]Cc1ccc(Cl)c(C)c1)CCS2(=O)=O ZINC000898487700 663652311 /nfs/dbraw/zinc/65/23/11/663652311.db2.gz FJMNWEJMTGHWFJ-CSLYMUCUSA-N 1 0 385.913 2.637 20 0 GFADRO CO[C@@H]1CCC[C@H]([NH2+][C@@H](CO)c2ccccc2I)C1 ZINC000898511271 663653673 /nfs/dbraw/zinc/65/36/73/663653673.db2.gz BHZFMFAFIPTSDD-ZOWXZIJZSA-N 1 0 375.250 2.872 20 0 GFADRO CCC1([NH+]2CCCC2)CCN(C(=O)C(=O)NCc2cscc2Cl)CC1 ZINC000898582066 663656852 /nfs/dbraw/zinc/65/68/52/663656852.db2.gz INTCDQQAUGYFMX-UHFFFAOYSA-N 1 0 383.945 2.885 20 0 GFADRO CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)NCCc2ccc(Cl)c(Cl)c2)C1 ZINC000898660274 663659110 /nfs/dbraw/zinc/65/91/10/663659110.db2.gz RUPOGBDWGONSHZ-CQSZACIVSA-N 1 0 386.323 2.500 20 0 GFADRO CCC1([NH+]2CCC2)CCN(C(=O)Cc2cc[nH]c(=O)c2Br)CC1 ZINC000899559640 663693731 /nfs/dbraw/zinc/69/37/31/663693731.db2.gz WTBOZDFQSNHHFL-UHFFFAOYSA-N 1 0 382.302 2.569 20 0 GFADRO CCO[C@@H](CNC(=S)Nc1ccccc1OCC(F)(F)F)C[NH+](C)C ZINC000899565634 663693919 /nfs/dbraw/zinc/69/39/19/663693919.db2.gz HWVZJTDYBMQKFH-LBPRGKRZSA-N 1 0 379.448 2.881 20 0 GFADRO Brc1ccc2c(c1)[C@H](n1cc(C[C@H]3CCC[NH2+]C3)nn1)CCO2 ZINC000899739674 663699725 /nfs/dbraw/zinc/69/97/25/663699725.db2.gz RIBBYGMKZCJAHX-MLGOLLRUSA-N 1 0 377.286 2.955 20 0 GFADRO [NH3+][C@@H](c1cn([C@@H]2CCOc3ccc(Br)cc32)nn1)[C@@H]1CCCO1 ZINC000899739331 663699753 /nfs/dbraw/zinc/69/97/53/663699753.db2.gz JFQYIZFYZJBHKW-KBMXLJTQSA-N 1 0 379.258 2.591 20 0 GFADRO C[C@H](Cc1ccc(Br)cc1)NC(=O)c1ccnn1CC[NH+](C)C ZINC000900216045 663709942 /nfs/dbraw/zinc/70/99/42/663709942.db2.gz WOYKZEJEDFFASY-CYBMUJFWSA-N 1 0 379.302 2.568 20 0 GFADRO CCOc1ccc(Br)cc1NC(=O)c1ccnn1CC[NH+](C)C ZINC000900549089 663716838 /nfs/dbraw/zinc/71/68/38/663716838.db2.gz XNFXMAQFNYDGFU-UHFFFAOYSA-N 1 0 381.274 2.858 20 0 GFADRO CCn1c(Br)ncc1C(=O)N(Cc1ccco1)C1CC[NH+](C)CC1 ZINC000900684914 663719808 /nfs/dbraw/zinc/71/98/08/663719808.db2.gz HZGRZNDEIIQGEK-UHFFFAOYSA-N 1 0 395.301 2.995 20 0 GFADRO C[N@@H+]1CCC[C@@H](CNC(=O)CN2CSCCSC2)[C@@H]1c1cccs1 ZINC000900826773 663722397 /nfs/dbraw/zinc/72/23/97/663722397.db2.gz NVOMYTQXXIGVII-WMLDXEAASA-N 1 0 385.624 2.944 20 0 GFADRO O=C(Nc1cc(Br)ccc1O)C1CCC([NH+]2CCOCC2)CC1 ZINC000901225193 663732607 /nfs/dbraw/zinc/73/26/07/663732607.db2.gz XYJLXIGKRHVUAT-UHFFFAOYSA-N 1 0 383.286 2.984 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCc2ncc(Br)n2C1)C(=O)Nc1c(F)cccc1F ZINC000901728390 663743795 /nfs/dbraw/zinc/74/37/95/663743795.db2.gz MHRBJWIBUMPDSY-VHSXEESVSA-N 1 0 399.239 2.855 20 0 GFADRO CC[C@@H]1CCCCN1C(=O)[C@H](C)[NH2+][C@H]1CCc2ncc(Br)n2C1 ZINC000901730394 663743967 /nfs/dbraw/zinc/74/39/67/663743967.db2.gz WKFOYOCQGYAJNC-MELADBBJSA-N 1 0 383.334 2.730 20 0 GFADRO O=C([O-])C[NH+]1CCC([NH2+]CCc2cc(Cl)cc(Br)c2)CC1 ZINC000902507180 663762123 /nfs/dbraw/zinc/76/21/23/663762123.db2.gz ISEKMPYWZZIKJH-UHFFFAOYSA-N 1 0 375.694 2.784 20 0 GFADRO O=C([O-])CCC[NH+]1CCC([NH2+][C@@H]2COc3cccc(Br)c3C2)CC1 ZINC000902498263 663762177 /nfs/dbraw/zinc/76/21/77/663762177.db2.gz YOUVVASFYBUKPZ-AWEZNQCLSA-N 1 0 397.313 2.671 20 0 GFADRO Cc1cc(NS(=O)(=O)C[C@]2(C)CC2(Cl)Cl)n(-c2cc[nH+]cc2)n1 ZINC000903095766 663773413 /nfs/dbraw/zinc/77/34/13/663773413.db2.gz YGXYZIBSMIOSGK-ZDUSSCGKSA-N 1 0 375.281 2.901 20 0 GFADRO COc1ccc(NC(=O)C[C@H](C)[NH2+]Cc2cn(C)nc2Br)cc1 ZINC000903188213 663777433 /nfs/dbraw/zinc/77/74/33/663777433.db2.gz BGKJOPSGOLVKJM-NSHDSACASA-N 1 0 381.274 2.698 20 0 GFADRO C[C@H](NCc1cn(C)nc1Br)c1cccc(OCC[NH+](C)C)c1 ZINC000903189165 663777607 /nfs/dbraw/zinc/77/76/07/663777607.db2.gz QYTGMDOFMXRCOQ-ZDUSSCGKSA-N 1 0 381.318 2.974 20 0 GFADRO CO[C@H](C[NH2+][C@@H](C)c1cccc(S(=O)(=O)C(F)(F)F)c1)[C@@H]1CCOC1 ZINC000903195888 663778099 /nfs/dbraw/zinc/77/80/99/663778099.db2.gz CMWIEKJNUIFZPW-NJZAAPMLSA-N 1 0 381.416 2.682 20 0 GFADRO O=S(=O)(/C=C\c1ccccc1Br)N1CCC([NH+]2CCC2)CC1 ZINC000903203077 663778437 /nfs/dbraw/zinc/77/84/37/663778437.db2.gz NPMZFFYDYOJJHY-JYRVWZFOSA-N 1 0 385.327 2.920 20 0 GFADRO Cc1cc(Br)sc1S(=O)(=O)N1CCC([NH+]2CCC2)CC1 ZINC000903203551 663778443 /nfs/dbraw/zinc/77/84/43/663778443.db2.gz BHKXMMLMHPFGMY-UHFFFAOYSA-N 1 0 379.345 2.678 20 0 GFADRO CN1C[C@H](CC[NH2+]C2CCN(Cc3ccccc3Br)CC2)CC1=O ZINC000903215978 663778821 /nfs/dbraw/zinc/77/88/21/663778821.db2.gz RXHVLBGYDSMMQQ-OAHLLOKOSA-N 1 0 394.357 2.872 20 0 GFADRO C[C@H]([NH2+][C@@H](C)[C@@H](O)C(F)(F)F)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000903214390 663778849 /nfs/dbraw/zinc/77/88/49/663778849.db2.gz ZSRZQVLNLVDLCS-DKCNOQQISA-N 1 0 379.322 2.942 20 0 GFADRO CS(C)(=O)=NS(=O)(=O)CC[NH2+][C@@H]1CCC[C@@H]1c1ccccc1Cl ZINC000903227942 663779428 /nfs/dbraw/zinc/77/94/28/663779428.db2.gz WLDQKEOTQSGJTE-UKRRQHHQSA-N 1 0 378.947 2.623 20 0 GFADRO C[C@H](CCc1ccc(I)cc1)[NH2+]C1CC(CC(N)=O)C1 ZINC000903261641 663780713 /nfs/dbraw/zinc/78/07/13/663780713.db2.gz ZQVOPXLVEOCGJV-NUYPLMSZSA-N 1 0 386.277 2.856 20 0 GFADRO C[C@@H]([NH2+][C@@H]1Cc2cc(Br)cnc2NC1=O)c1cccc(CO)c1 ZINC000903322749 663781768 /nfs/dbraw/zinc/78/17/68/663781768.db2.gz BPXGEGOLWRKQHW-MEBBXXQBSA-N 1 0 376.254 2.550 20 0 GFADRO CO[C@]1(C[NH2+][C@H]2C[C@H](C)c3c2cccc3Br)CCS(=O)(=O)C1 ZINC000903367001 663783052 /nfs/dbraw/zinc/78/30/52/663783052.db2.gz GFTNRPQAMQVNNH-PJODQICGSA-N 1 0 388.327 2.791 20 0 GFADRO O=c1cc(N2CC[C@H]([NH2+][C@@H]3CCc4cc(Br)ccc43)C2)nc[nH]1 ZINC000903395001 663783566 /nfs/dbraw/zinc/78/35/66/663783566.db2.gz GKJIRKFLEMRXIU-DZGCQCFKSA-N 1 0 375.270 2.801 20 0 GFADRO O=c1cc(N2CC[C@@H]([NH2+][C@@H]3CCc4sc(Br)cc43)C2)nc[nH]1 ZINC000903398459 663783687 /nfs/dbraw/zinc/78/36/87/663783687.db2.gz KCADGWVQGHKLOS-MWLCHTKSSA-N 1 0 381.299 2.862 20 0 GFADRO O=c1cc(N2CC[C@H]([NH2+][C@@H]3CCc4c3cc(Br)cc4F)C2)nc[nH]1 ZINC000903399987 663783862 /nfs/dbraw/zinc/78/38/62/663783862.db2.gz ZUWOTTDXQNZEIX-XHDPSFHLSA-N 1 0 393.260 2.940 20 0 GFADRO O=c1ccn(CCC[NH2+][C@H](c2ccc(Br)s2)C2CC2)c(=O)[nH]1 ZINC000903432013 663784568 /nfs/dbraw/zinc/78/45/68/663784568.db2.gz FHLFIOJFTIKANY-AWEZNQCLSA-N 1 0 384.299 2.904 20 0 GFADRO CC[C@@H](CCC(F)(F)F)[NH2+][C@H]1CCS(=O)(=O)C2(CC(C(=O)OC)C2)C1 ZINC000903450866 663785030 /nfs/dbraw/zinc/78/50/30/663785030.db2.gz AEHWSEJVOFYDOD-FMPXUHTOSA-N 1 0 385.448 2.596 20 0 GFADRO CS(=O)(=O)c1ccc(-c2nc(CN[C@H]3CC[NH2+]C34CCC4)cs2)cc1 ZINC000903470853 663785230 /nfs/dbraw/zinc/78/52/30/663785230.db2.gz OHVIQWBQXZTCND-INIZCTEOSA-N 1 0 377.535 2.588 20 0 GFADRO C[C@H]([NH2+][C@H]1CCc2ncc(Br)n2C1)c1ccc(-n2cncn2)cc1 ZINC000903477741 663785241 /nfs/dbraw/zinc/78/52/41/663785241.db2.gz GYJSHTGWYCBCKP-JSGCOSHPSA-N 1 0 387.285 2.892 20 0 GFADRO C[NH2+]C[C@@H]1CCCN(S(=O)(=O)c2c[nH]c3cc(Br)ccc32)C1 ZINC000903480972 663785530 /nfs/dbraw/zinc/78/55/30/663785530.db2.gz WWKMMKJTVMSPQO-NSHDSACASA-N 1 0 386.315 2.551 20 0 GFADRO C[C@H]([NH3+])C1CCN(S(=O)(=O)c2c[nH]c3cc(Br)ccc32)CC1 ZINC000903486726 663785608 /nfs/dbraw/zinc/78/56/08/663785608.db2.gz TZGBYVGDNBFJDR-JTQLQIEISA-N 1 0 386.315 2.678 20 0 GFADRO O=S(=O)(c1c[nH]c2ncc(Cl)cc12)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000903507793 663785976 /nfs/dbraw/zinc/78/59/76/663785976.db2.gz LESAPBVHVYJHNS-ZDUSSCGKSA-N 1 0 382.917 2.617 20 0 GFADRO C[C@H]1CN(S(=O)(=O)Cc2cccc(Cl)c2Br)CC[C@@H]1[NH3+] ZINC000903513457 663786250 /nfs/dbraw/zinc/78/62/50/663786250.db2.gz NWOKETCOOPHXJS-CABZTGNLSA-N 1 0 381.723 2.601 20 0 GFADRO CC[C@@H]1CN(S(=O)(=O)Cc2cccc(Cl)c2Br)CC[C@H]1[NH3+] ZINC000903518201 663786816 /nfs/dbraw/zinc/78/68/16/663786816.db2.gz QDEQMUKDHSUWNG-ZWNOBZJWSA-N 1 0 395.750 2.992 20 0 GFADRO CC[C@@H]1CN(S(=O)(=O)Cc2cccc(Cl)c2Br)CC[C@@H]1[NH3+] ZINC000903518200 663786874 /nfs/dbraw/zinc/78/68/74/663786874.db2.gz QDEQMUKDHSUWNG-MFKMUULPSA-N 1 0 395.750 2.992 20 0 GFADRO C[C@@H](C(=O)Nc1ccccc1Br)N1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903518440 663786898 /nfs/dbraw/zinc/78/68/98/663786898.db2.gz NVSGAQCGUZNHLO-IQJOONFLSA-N 1 0 380.208 2.598 20 0 GFADRO CC(=O)Nc1ccc(S(=O)(=O)N2CCC(C(C)(C)C[NH3+])CC2)cc1Cl ZINC000903521087 663786974 /nfs/dbraw/zinc/78/69/74/663786974.db2.gz HNVFIAHPAOTLBT-UHFFFAOYSA-N 1 0 387.933 2.684 20 0 GFADRO COc1cc(OC)c(S(=O)(=O)N2CCC(C(C)(C)C[NH3+])CC2)cc1Cl ZINC000903523264 663787274 /nfs/dbraw/zinc/78/72/74/663787274.db2.gz QXZZCANLXIPTGT-UHFFFAOYSA-N 1 0 390.933 2.743 20 0 GFADRO COc1ccc(Cl)cc1NC(=O)CCN1CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000903534424 663787578 /nfs/dbraw/zinc/78/75/78/663787578.db2.gz MJHVSUJOAZGVBQ-NEPJUHHUSA-N 1 0 379.810 2.889 20 0 GFADRO O=S(=O)(Cc1ccc(Cl)c(Cl)c1)N1CC[NH2+]CCC12CCOCC2 ZINC000903548122 663788210 /nfs/dbraw/zinc/78/82/10/663788210.db2.gz WXYXHRODKLVBJB-UHFFFAOYSA-N 1 0 393.336 2.668 20 0 GFADRO [NH3+]CC1([C@@H]2CCCCN2S(=O)(=O)c2ccc(Br)o2)CCC1 ZINC000903548221 663788337 /nfs/dbraw/zinc/78/83/37/663788337.db2.gz XJJHGJDGWKYOGH-NSHDSACASA-N 1 0 377.304 2.714 20 0 GFADRO COc1cc(Cl)c(S(=O)(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)cc1Cl ZINC000903570669 663789071 /nfs/dbraw/zinc/78/90/71/663789071.db2.gz WQEBLIMFQHUQHT-HZGVNTEJSA-N 1 0 393.214 2.512 20 0 GFADRO [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(S(=O)(=O)c1ccc(Cl)c(Br)c1)C2 ZINC000903579413 663790055 /nfs/dbraw/zinc/79/00/55/663790055.db2.gz LIEKRIXFLJOPPQ-AEJSXWLSSA-N 1 0 379.707 2.603 20 0 GFADRO O=S(=O)(c1c(Cl)cccc1Br)N1CCC[C@@]12CC[NH2+]C2 ZINC000903593641 663791025 /nfs/dbraw/zinc/79/10/25/663791025.db2.gz RMBZDDQDCWKXEU-ZDUSSCGKSA-N 1 0 379.707 2.619 20 0 GFADRO O=S(=O)(c1c[nH]c2c1cccc2Br)N1CCC([NH+]2CCC2)CC1 ZINC000903648573 663797153 /nfs/dbraw/zinc/79/71/53/663797153.db2.gz CNQLDPIZWNAKBP-UHFFFAOYSA-N 1 0 398.326 2.789 20 0 GFADRO Brc1ccccc1[C@@H]1CN(C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)CCO1 ZINC000903727108 663805151 /nfs/dbraw/zinc/80/51/51/663805151.db2.gz QJIXOFHMVBFGDH-JCGIZDLHSA-N 1 0 381.314 2.591 20 0 GFADRO C[C@@H]1CC2(CN1CCS(=O)(=O)c1nc3ccccc3s1)CC[NH2+]CC2 ZINC000903763429 663806119 /nfs/dbraw/zinc/80/61/19/663806119.db2.gz JSLQLXTZHDOAMS-CQSZACIVSA-N 1 0 379.551 2.534 20 0 GFADRO Brc1cnc([C@H]2CCCCN2C[C@H]2CC3(CO2)CC[NH2+]CC3)nc1 ZINC000903786248 663806736 /nfs/dbraw/zinc/80/67/36/663806736.db2.gz GYONNXBIXSRONP-HZPDHXFCSA-N 1 0 395.345 2.925 20 0 GFADRO CN(Cc1nc(-c2cc(Br)cs2)no1)C1(C[NH3+])CCOCC1 ZINC000903808643 663807309 /nfs/dbraw/zinc/80/73/09/663807309.db2.gz QXVNLFCZOONIRE-UHFFFAOYSA-N 1 0 387.303 2.500 20 0 GFADRO COc1cc(Br)c(CN2CCc3sc(C[NH3+])nc3C2)c(OC)c1 ZINC000903942292 663813084 /nfs/dbraw/zinc/81/30/84/663813084.db2.gz MQCXDJQRLUBAPD-UHFFFAOYSA-N 1 0 398.326 2.940 20 0 GFADRO [NH3+]Cc1nc2c(s1)CCN(Cc1cnc3ccc(Br)cn13)C2 ZINC000903941316 663813091 /nfs/dbraw/zinc/81/30/91/663813091.db2.gz YROMMMKUEFGJRZ-UHFFFAOYSA-N 1 0 378.299 2.570 20 0 GFADRO COc1sc(CN[C@@H]2C[NH2+]CC3(CCOCC3)C2)cc1Br ZINC000903975326 663814180 /nfs/dbraw/zinc/81/41/80/663814180.db2.gz ZVRWVDRJXQAJMM-NSHDSACASA-N 1 0 375.332 2.768 20 0 GFADRO Brc1ccccc1-n1nncc1-c1nc([C@H]2CCC[NH2+]C2)no1 ZINC000904073181 663822562 /nfs/dbraw/zinc/82/25/62/663822562.db2.gz JFKTYMHILGUAQC-JTQLQIEISA-N 1 0 375.230 2.547 20 0 GFADRO C[NH2+]CCCCc1nc(Cc2nc3ccc(Br)cc3c(=O)[nH]2)no1 ZINC000904100780 663824157 /nfs/dbraw/zinc/82/41/57/663824157.db2.gz IJYXACDVKFGJMM-UHFFFAOYSA-N 1 0 392.257 2.614 20 0 GFADRO COc1cc(Br)c(NC(=O)N2CCC[C@]23CC[NH2+]C3)cc1OC ZINC000904309171 663830503 /nfs/dbraw/zinc/83/05/03/663830503.db2.gz BJAFQDSRPIETFS-MRXNPFEDSA-N 1 0 384.274 2.826 20 0 GFADRO Cc1ccc(NC(=O)N2CC[NH2+]CCC23CCOCC3)c(Br)n1 ZINC000904383650 663832036 /nfs/dbraw/zinc/83/20/36/663832036.db2.gz BANPOFKQAAARBL-UHFFFAOYSA-N 1 0 383.290 2.529 20 0 GFADRO CN(C(=O)Nc1nc(-c2cccc(Cl)c2)ns1)C1(C[NH3+])CCOCC1 ZINC000904417938 663833404 /nfs/dbraw/zinc/83/34/04/663833404.db2.gz PGEDQYJALIYLJJ-UHFFFAOYSA-N 1 0 381.889 2.830 20 0 GFADRO COCC[C@@H]1C[NH2+]CCN1C(=O)Nc1cc(Br)c(F)cc1F ZINC000904432591 663834192 /nfs/dbraw/zinc/83/41/92/663834192.db2.gz CNFJKFOLPIITEA-SECBINFHSA-N 1 0 378.217 2.570 20 0 GFADRO Cc1nn(CN2C[C@H]3C[N@@H+](C)C[C@@]3(C)C2)c(=S)n1CCc1cccs1 ZINC000904435210 663834197 /nfs/dbraw/zinc/83/41/97/663834197.db2.gz ACDFKJFJUTUTIF-QAPCUYQASA-N 1 0 377.583 2.868 20 0 GFADRO CN(C(=O)Nc1ccc(F)c(Br)c1F)C1(C[NH3+])CCOCC1 ZINC000904527051 663836893 /nfs/dbraw/zinc/83/68/93/663836893.db2.gz KPTBYLHGBJAYID-UHFFFAOYSA-N 1 0 378.217 2.699 20 0 GFADRO O=C(Nc1ccnn1Cc1ccc(Cl)s1)N[C@H]1C[NH2+]CCC1(F)F ZINC000904547175 663837271 /nfs/dbraw/zinc/83/72/71/663837271.db2.gz AZTFYHDUKDVOPG-JTQLQIEISA-N 1 0 375.832 2.765 20 0 GFADRO COc1ccc(Br)cc1-c1noc(C2([C@@H](C)[NH3+])CCOCC2)n1 ZINC000904665192 663839753 /nfs/dbraw/zinc/83/97/53/663839753.db2.gz JZADJSVWAHSHEA-SNVBAGLBSA-N 1 0 382.258 2.903 20 0 GFADRO Cn1ncc(-c2noc(COc3ccc(CCC[NH3+])cc3)n2)c1Br ZINC000904695832 663841181 /nfs/dbraw/zinc/84/11/81/663841181.db2.gz QGSIKQPYDDNSCL-UHFFFAOYSA-N 1 0 392.257 2.703 20 0 GFADRO Cc1csc([C@](O)(CC(=O)N[C@@H](C[NH3+])C2CCCCC2)C(F)(F)F)n1 ZINC000904926842 663847842 /nfs/dbraw/zinc/84/78/42/663847842.db2.gz XQGJQLUNJQOXLD-SWLSCSKDSA-N 1 0 379.448 2.615 20 0 GFADRO C[C@H](CCCC(F)(F)F)[NH2+]C[C@H](O)C1(S(=O)(=O)NC(C)(C)C)CCC1 ZINC000905230610 663860800 /nfs/dbraw/zinc/86/08/00/663860800.db2.gz GKKPFPSZIMKLOJ-OLZOCXBDSA-N 1 0 388.496 2.699 20 0 GFADRO O=C(CC[NH2+]C[C@@H](O)CCC1(O)CCC1)Nc1cc(Cl)cc(Cl)c1 ZINC000905272130 663863343 /nfs/dbraw/zinc/86/33/43/663863343.db2.gz FWURRHSIYSISCC-HNNXBMFYSA-N 1 0 375.296 2.968 20 0 GFADRO CC[C@@H](C[NH2+]C[C@@H](O)C1(S(=O)(=O)NC(C)(C)C)CCC1)CC(F)(F)F ZINC000905284288 663863820 /nfs/dbraw/zinc/86/38/20/663863820.db2.gz ASFGEQSZNIRLSN-CHWSQXEVSA-N 1 0 388.496 2.556 20 0 GFADRO Cc1ccc(Cl)c(OC[C@@H](O)C[NH2+]C[C@@H](O)C(F)(F)C(F)(F)F)c1 ZINC000905448559 663871992 /nfs/dbraw/zinc/87/19/92/663871992.db2.gz XMUDOZMFLMWHES-JOYOIKCWSA-N 1 0 377.737 2.536 20 0 GFADRO Cn1cc(C[NH2+]C[C@@H](O)COCc2ccccc2Cl)c(Br)n1 ZINC000905519326 663875727 /nfs/dbraw/zinc/87/57/27/663875727.db2.gz AMWOFAKJXDPHLS-CYBMUJFWSA-N 1 0 388.693 2.503 20 0 GFADRO C[NH+]1CCC(NC(=S)N2CCC[C@H]2c2cncc(Br)c2)CC1 ZINC000905643722 663883193 /nfs/dbraw/zinc/88/31/93/663883193.db2.gz GIOZXFFABPUZIG-HNNXBMFYSA-N 1 0 383.359 2.950 20 0 GFADRO CC(C)[NH2+]Cc1cn([C@@H](C)C(=O)N(C)Cc2ccc(Br)cc2)nn1 ZINC000905793396 663892714 /nfs/dbraw/zinc/89/27/14/663892714.db2.gz SRFGQOXGPQNYML-ZDUSSCGKSA-N 1 0 394.317 2.758 20 0 GFADRO COC1CCN(Cc2cn(Cc3cccc(F)c3Br)nn2)CC1 ZINC000905832539 663894625 /nfs/dbraw/zinc/89/46/25/663894625.db2.gz HRXJJSOANUTMCJ-UHFFFAOYSA-N 1 0 383.265 2.839 20 0 GFADRO C[NH+](C)CCC(=O)Nc1ccc(NC(=O)C[C@@H](O)C(Cl)(Cl)Cl)cc1 ZINC000906437301 663947819 /nfs/dbraw/zinc/94/78/19/663947819.db2.gz QULCEHPAIYDKMC-GFCCVEGCSA-N 1 0 396.702 2.637 20 0 GFADRO O=C(c1cccn2ncc(Br)c12)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000906618218 663961004 /nfs/dbraw/zinc/96/10/04/663961004.db2.gz JRWXJEQCNOOREE-ZDUSSCGKSA-N 1 0 377.286 2.797 20 0 GFADRO COC(=O)c1nc(C(=O)NC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)cs1 ZINC000906794790 663971469 /nfs/dbraw/zinc/97/14/69/663971469.db2.gz ZYAWLRFOSXXDNB-RISCZKNCSA-N 1 0 379.507 2.804 20 0 GFADRO O=S(=O)(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1c[nH]c2c1cccc2Br ZINC000906846120 663976226 /nfs/dbraw/zinc/97/62/26/663976226.db2.gz OMTMRNQFVPNFCE-NWDGAFQWSA-N 1 0 398.326 2.836 20 0 GFADRO O=C(C[C@H](O)C(Cl)(Cl)Cl)Nc1cccc(C[NH+]2CCC(O)CC2)c1 ZINC000906915944 663981649 /nfs/dbraw/zinc/98/16/49/663981649.db2.gz UNZNFRLSARDXHE-AWEZNQCLSA-N 1 0 395.714 2.703 20 0 GFADRO C[C@@H]1C[C@H](NS(=O)(=O)c2c[nH]c3c2cccc3Br)CC[N@@H+]1C ZINC000906988584 663989408 /nfs/dbraw/zinc/98/94/08/663989408.db2.gz QQGMNYBSKRSKFX-GHMZBOCLSA-N 1 0 386.315 2.691 20 0 GFADRO C[C@H]1C[C@H](NS(=O)(=O)c2c[nH]c3c2cccc3Br)CC[N@@H+]1C ZINC000906988590 663989436 /nfs/dbraw/zinc/98/94/36/663989436.db2.gz QQGMNYBSKRSKFX-WDEREUQCSA-N 1 0 386.315 2.691 20 0 GFADRO O=S(=O)(NC1CC[NH+](C2CCOCC2)CC1)c1ccc(Cl)cc1Cl ZINC000907327396 664023488 /nfs/dbraw/zinc/02/34/88/664023488.db2.gz CATJDKIOGGSCKE-UHFFFAOYSA-N 1 0 393.336 2.915 20 0 GFADRO O=S(=O)(NC1CC[NH+](C2CCOCC2)CC1)c1csc2ccccc21 ZINC000907329772 664023705 /nfs/dbraw/zinc/02/37/05/664023705.db2.gz YCEMYBXHGPMRAP-UHFFFAOYSA-N 1 0 380.535 2.823 20 0 GFADRO CO[C@H](CS(=O)(=O)N(C)C[C@H]1CC[N@H+](Cc2ccc(C)s2)C1)C1CC1 ZINC000907348185 664027411 /nfs/dbraw/zinc/02/74/11/664027411.db2.gz ZREPIOXFQCKSHW-CRAIPNDOSA-N 1 0 386.583 2.565 20 0 GFADRO CCN(CCC[NH+]1CCCC1)C(=O)c1nscc1I ZINC000907664219 664051729 /nfs/dbraw/zinc/05/17/29/664051729.db2.gz ZZUSTHJSOGGSMY-UHFFFAOYSA-N 1 0 393.294 2.696 20 0 GFADRO CN(Cc1cc(Br)ccc1Cl)C(=O)[C@@]1(C)C[C@@H](O)C[N@@H+]1C ZINC000907726610 664056183 /nfs/dbraw/zinc/05/61/83/664056183.db2.gz RSIFGWVYOHXAQN-IUODEOHRSA-N 1 0 375.694 2.516 20 0 GFADRO C[NH+](C)CCn1nccc1C(=O)N[C@@H]1CSc2ccc(Br)cc21 ZINC000907819113 664063594 /nfs/dbraw/zinc/06/35/94/664063594.db2.gz ZXNQEJZHTPMRLE-CYBMUJFWSA-N 1 0 395.326 2.784 20 0 GFADRO C[NH+]1CCC2(CCN2S(=O)(=O)c2cc(Br)c(F)cc2F)CC1 ZINC000907853638 664065791 /nfs/dbraw/zinc/06/57/91/664065791.db2.gz MSCDNNYMVSELLA-UHFFFAOYSA-N 1 0 395.269 2.586 20 0 GFADRO Cc1cc(S(=O)(=O)N2CCC23CC[NH+](C)CC3)sc1Br ZINC000907853227 664065822 /nfs/dbraw/zinc/06/58/22/664065822.db2.gz HAZPIJAQNXDWBF-UHFFFAOYSA-N 1 0 379.345 2.678 20 0 GFADRO C[NH+]1CCC2(CCN2S(=O)(=O)c2cnc(Cl)cc2C(F)(F)F)CC1 ZINC000907857444 664066446 /nfs/dbraw/zinc/06/64/46/664066446.db2.gz LRDCEYGPBFKLKQ-UHFFFAOYSA-N 1 0 383.823 2.613 20 0 GFADRO C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)c1ccc(Cn2cc(Br)cn2)s1 ZINC000908416955 664104834 /nfs/dbraw/zinc/10/48/34/664104834.db2.gz UTVFWFVMZYEQTD-SMDDNHRTSA-N 1 0 397.342 2.920 20 0 GFADRO CO[C@@H](C(=O)Nc1ccnn1CC[NH+](C)C)c1ccc(Br)s1 ZINC000908442457 664106587 /nfs/dbraw/zinc/10/65/87/664106587.db2.gz MKTMZJDEUJOIAI-CYBMUJFWSA-N 1 0 387.303 2.595 20 0 GFADRO C[N@@H+]1CCN(C(=O)c2c(Br)nc3n2CCC3)CC12CCCCC2 ZINC000908571111 664115087 /nfs/dbraw/zinc/11/50/87/664115087.db2.gz BHSKEDZIJPZCBN-UHFFFAOYSA-N 1 0 381.318 2.682 20 0 GFADRO C[N@@H+]1CCN(C(=O)c2nn3c(c2Br)CCC3)CC12CCCCC2 ZINC000908577809 664115286 /nfs/dbraw/zinc/11/52/86/664115286.db2.gz WISMOQSLTYSRTL-UHFFFAOYSA-N 1 0 381.318 2.682 20 0 GFADRO COc1cc(Cl)c(Cl)cc1C(=O)N1CCC(CO)([NH2+]C(C)C)CC1 ZINC000908598325 664116405 /nfs/dbraw/zinc/11/64/05/664116405.db2.gz UETARBBLSHLFGL-UHFFFAOYSA-N 1 0 375.296 2.967 20 0 GFADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@H]2C(=O)Nc2cccc(O)c2Br)cn1 ZINC000908710625 664122322 /nfs/dbraw/zinc/12/23/22/664122322.db2.gz MIXXTVLOMPMLEN-OLZOCXBDSA-N 1 0 393.285 2.562 20 0 GFADRO Cn1cc(Br)c(CNC(=O)c2ccc(NC3=[NH+]CCC3)cc2)n1 ZINC000908939220 664137909 /nfs/dbraw/zinc/13/79/09/664137909.db2.gz WNYRLFUNAAWNLT-UHFFFAOYSA-N 1 0 376.258 2.717 20 0 GFADRO Cc1cc(C[NH+](C)C)ccc1NC(=O)c1c[nH]nc1I ZINC000909598663 664164490 /nfs/dbraw/zinc/16/44/90/664164490.db2.gz TXICKPWDHPAMOP-UHFFFAOYSA-N 1 0 384.221 2.637 20 0 GFADRO Cc1cc(C[NH+](C)C)ccc1NC(=O)c1cnn(C)c1I ZINC000909602086 664164820 /nfs/dbraw/zinc/16/48/20/664164820.db2.gz LOXWMXZGPKOGOP-UHFFFAOYSA-N 1 0 398.248 2.647 20 0 GFADRO CC[N@@H+]1CCCN(C(=O)c2c3ccc(Br)cc3nn2C)[C@@H](C)C1 ZINC000910268931 664204087 /nfs/dbraw/zinc/20/40/87/664204087.db2.gz ZDSQCGQJCSYYIA-LBPRGKRZSA-N 1 0 379.302 2.892 20 0 GFADRO C[C@H](NC(=O)C(=O)NC[C@]12CCC[C@H]1[NH2+]CC2)c1cccc(Cl)c1Cl ZINC000911127742 664235984 /nfs/dbraw/zinc/23/59/84/664235984.db2.gz YIMFVZWAGVSWEL-UCMVZMLTSA-N 1 0 384.307 2.819 20 0 GFADRO C[C@H](NC(=O)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1)c1cccc(Cl)c1Cl ZINC000911125939 664236047 /nfs/dbraw/zinc/23/60/47/664236047.db2.gz REEOEWJVFIWYMO-JVUFJMBOSA-N 1 0 398.212 2.519 20 0 GFADRO COc1ccc(Br)cc1-c1nc(C(=O)N2CC[NH2+]CC2)cs1 ZINC000911646812 664251603 /nfs/dbraw/zinc/25/16/03/664251603.db2.gz BFHVNTOGSZWVKO-UHFFFAOYSA-N 1 0 382.283 2.627 20 0 GFADRO CC(C)[C@@](C)(C[NH3+])NC(=O)c1ccc(Cn2cc(Br)cn2)s1 ZINC000911832996 664257847 /nfs/dbraw/zinc/25/78/47/664257847.db2.gz QVCUNJKQUFQKJJ-OAHLLOKOSA-N 1 0 385.331 2.859 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CN(C(=O)c2cc(-c3ccc(Br)cc3)ns2)CCO1 ZINC000911882373 664260470 /nfs/dbraw/zinc/26/04/70/664260470.db2.gz JIIIRWWEBHACED-QMTHXVAHSA-N 1 0 396.310 2.761 20 0 GFADRO C[NH+]1CCC(N(CCO)C(=O)c2oc3ccccc3c2Br)CC1 ZINC000911933772 664262509 /nfs/dbraw/zinc/26/25/09/664262509.db2.gz QFGFFVZTXWWNHK-UHFFFAOYSA-N 1 0 381.270 2.724 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)c2nscc2I)C1 ZINC000912284717 664279867 /nfs/dbraw/zinc/27/98/67/664279867.db2.gz RWOCVCVNLUUQRE-VIFPVBQESA-N 1 0 393.294 2.598 20 0 GFADRO [NH3+]CCCn1ccc(C(=O)N(Cc2cc(Br)ccc2F)C2CC2)n1 ZINC000912331188 664282139 /nfs/dbraw/zinc/28/21/39/664282139.db2.gz OUGOHHWQQHLKER-UHFFFAOYSA-N 1 0 395.276 2.938 20 0 GFADRO CN(C(=O)c1ccnn1CC[NH+](C)C)[C@H](CO)c1cccc(Cl)c1Cl ZINC000912464982 664288604 /nfs/dbraw/zinc/28/86/04/664288604.db2.gz XCVMEWSJZPHWPH-OAHLLOKOSA-N 1 0 385.295 2.557 20 0 GFADRO CC[NH+]1CCN(CCC(=O)Nc2cccc(-c3nnsc3Cl)c2)CC1 ZINC000912487007 664289990 /nfs/dbraw/zinc/28/99/90/664289990.db2.gz YUAVJPYJEVWSCW-UHFFFAOYSA-N 1 0 379.917 2.825 20 0 GFADRO CC(C)C[NH2+]C1(CO)CCN(C(=O)C(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000912594499 664294427 /nfs/dbraw/zinc/29/44/27/664294427.db2.gz CNOBPICZDNSAGN-UHFFFAOYSA-N 1 0 387.307 2.775 20 0 GFADRO O=C(/C=C\c1ccc(I)o1)N1CCC([NH+]2CCC2)CC1 ZINC000912884646 664307262 /nfs/dbraw/zinc/30/72/62/664307262.db2.gz PMDVPLXJMKPTRU-HYXAFXHYSA-N 1 0 386.233 2.594 20 0 GFADRO O=C(c1cc(Br)cc(N2CCCC2)c1)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000912901998 664309518 /nfs/dbraw/zinc/30/95/18/664309518.db2.gz IEGSAQZCIBIOPB-MRXNPFEDSA-N 1 0 378.314 2.970 20 0 GFADRO Cc1c(C(=O)N2CC[C@H]([NH+]3CCC3)C2)cnn1-c1cccc(Br)c1 ZINC000912917999 664310237 /nfs/dbraw/zinc/31/02/37/664310237.db2.gz SATBGKKZPMPRMI-INIZCTEOSA-N 1 0 389.297 2.863 20 0 GFADRO C[NH+](C)C1(C)CCN(C(=O)/C=C/c2ccc(I)o2)CC1 ZINC000913387493 664334396 /nfs/dbraw/zinc/33/43/96/664334396.db2.gz SHBCMJPNOILRBT-FNORWQNLSA-N 1 0 388.249 2.840 20 0 GFADRO CCC1([NH+](C)C)CCN(C(=O)c2cc(Br)cn(C3CC3)c2=O)CC1 ZINC000913662535 664348254 /nfs/dbraw/zinc/34/82/54/664348254.db2.gz NIVDEPIEDDBURP-UHFFFAOYSA-N 1 0 396.329 2.892 20 0 GFADRO C[NH+](C)CC1(O)CCN(C(=O)c2csc(-c3ccccc3Cl)n2)CC1 ZINC000913680393 664349619 /nfs/dbraw/zinc/34/96/19/664349619.db2.gz NHUUDOGZYOVCPO-UHFFFAOYSA-N 1 0 379.913 2.992 20 0 GFADRO C/C(=C/c1ccc(Br)o1)C(=O)N1CC[NH+](CCCCCO)CC1 ZINC000913688055 664350052 /nfs/dbraw/zinc/35/00/52/664350052.db2.gz IZUTWZFAHBMDRC-YPKPFQOOSA-N 1 0 385.302 2.752 20 0 GFADRO CC[C@@H](C(=O)N1CCC(O)(C[NH+](C)C)CC1)c1ccc(Br)cc1 ZINC000913683514 664350060 /nfs/dbraw/zinc/35/00/60/664350060.db2.gz GQOLZLNKURTZHE-MRXNPFEDSA-N 1 0 383.330 2.858 20 0 GFADRO C[C@@H](NC(=O)C1CCC([NH+]2CCOCC2)CC1)c1ccncc1Br ZINC000913807405 664359372 /nfs/dbraw/zinc/35/93/72/664359372.db2.gz HLBGCLZVOSOLJQ-WLYUNCDWSA-N 1 0 396.329 2.912 20 0 GFADRO CC1CC[NH+](CCCC[N-]S(=O)(=O)c2occc2Br)CC1 ZINC000913927683 664365913 /nfs/dbraw/zinc/36/59/13/664365913.db2.gz MQDOTQPHRCQFGV-UHFFFAOYSA-N 1 0 379.320 2.833 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)NCc1cnc(Br)cn1)C1CCCCC1 ZINC000914072791 664374360 /nfs/dbraw/zinc/37/43/60/664374360.db2.gz YCFMWNRBEHCERE-AWEZNQCLSA-N 1 0 384.322 2.549 20 0 GFADRO CC1CC[NH+](CCNC(=O)N2CCC[C@H]2c2ncc(Br)cn2)CC1 ZINC000914075414 664374592 /nfs/dbraw/zinc/37/45/92/664374592.db2.gz WZONOMGAFZQSII-HNNXBMFYSA-N 1 0 396.333 2.818 20 0 GFADRO C[C@@H](CNC(=O)N(C)Cc1ncc(Br)cn1)[N@@H+]1CCC[C@H](C)C1 ZINC000914075260 664374663 /nfs/dbraw/zinc/37/46/63/664374663.db2.gz VNWOGZTYPARJEU-STQMWFEESA-N 1 0 384.322 2.501 20 0 GFADRO C[C@@H](C[NH+]1CCCCC1)NC(=O)NC1(c2ncc(Br)cn2)CCC1 ZINC000914081359 664375182 /nfs/dbraw/zinc/37/51/82/664375182.db2.gz UWJCUGMAZSQALW-ZDUSSCGKSA-N 1 0 396.333 2.792 20 0 GFADRO C[C@H]1C[C@H](N(C)S(=O)(=O)Cc2ccsc2Br)CC[N@@H+]1C ZINC000914179855 664383560 /nfs/dbraw/zinc/38/35/60/664383560.db2.gz WIZQTPXKNYOZHR-CMPLNLGQSA-N 1 0 381.361 2.755 20 0 GFADRO O=S(=O)(c1occc1Br)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000914273898 664393453 /nfs/dbraw/zinc/39/34/53/664393453.db2.gz UWTLMBQQSKQKFT-BXUZGUMPSA-N 1 0 389.315 2.680 20 0 GFADRO C[N@@H+]1CC[C@@H]1CNC(=O)NCC1(c2cccc(Br)c2)CCOCC1 ZINC000914276114 664393949 /nfs/dbraw/zinc/39/39/49/664393949.db2.gz KCBKINDOHXMNHU-MRXNPFEDSA-N 1 0 396.329 2.501 20 0 GFADRO O=C(/C=C\c1ccc(Br)o1)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000914688202 664413941 /nfs/dbraw/zinc/41/39/41/664413941.db2.gz JGUBUWHZKIGXBY-ZQMJAJRESA-N 1 0 383.286 2.769 20 0 GFADRO CC[NH+]1CCC(CNC(=O)N2CCC[C@@H]2c2ncc(Br)cn2)CC1 ZINC000916032064 664447564 /nfs/dbraw/zinc/44/75/64/664447564.db2.gz JJLLIXQSXXELRD-OAHLLOKOSA-N 1 0 396.333 2.818 20 0 GFADRO CC(C)[NH2+]C1(CO)CCN(S(=O)(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000917527409 664485432 /nfs/dbraw/zinc/48/54/32/664485432.db2.gz JEHYWWYMPIZZDB-UHFFFAOYSA-N 1 0 381.325 2.507 20 0 GFADRO CC(C)(C)CC[NH+]1CCN(Cn2nnn(Cc3cccs3)c2=S)CC1 ZINC000917620000 664487411 /nfs/dbraw/zinc/48/74/11/664487411.db2.gz UYKXVGVIVUAXHX-UHFFFAOYSA-N 1 0 380.587 2.930 20 0 GFADRO C[C@H](CNC(=O)NCc1cn(C)nc1Br)[N@H+](C)Cc1ccccc1 ZINC000917872801 664491618 /nfs/dbraw/zinc/49/16/18/664491618.db2.gz JBZGKSONGQTXGE-CYBMUJFWSA-N 1 0 394.317 2.502 20 0 GFADRO CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cccc(C3SCCS3)c2)C1 ZINC000918476313 664499416 /nfs/dbraw/zinc/49/94/16/664499416.db2.gz DHVVDYXQBDPRHD-OAHLLOKOSA-N 1 0 379.551 2.704 20 0 GFADRO CC[N@@H+]1CCC[C@@H](NC(=O)Nc2cc3c(cc2Br)OCCO3)C1 ZINC000918542584 664500828 /nfs/dbraw/zinc/50/08/28/664500828.db2.gz WEFDBGDAHQHGOS-LLVKDONJSA-N 1 0 384.274 2.826 20 0 GFADRO CC[N@@H+]1CCC[C@H](NC(=O)Nc2cc3c(cc2Br)OCCO3)C1 ZINC000918542585 664500851 /nfs/dbraw/zinc/50/08/51/664500851.db2.gz WEFDBGDAHQHGOS-NSHDSACASA-N 1 0 384.274 2.826 20 0 GFADRO Nc1cc[nH+]c2c1CN(S(=O)(=O)c1ccc(F)c(C(F)(F)F)c1)CC2 ZINC000918900831 664506290 /nfs/dbraw/zinc/50/62/90/664506290.db2.gz WCWKPMQGWWUZRV-UHFFFAOYSA-N 1 0 375.347 2.569 20 0 GFADRO C[C@@H]1CCC[N@@H+](C(C)(C)CNS(=O)(=O)c2c(Cl)nc3ccccn32)C1 ZINC000919730545 664517521 /nfs/dbraw/zinc/51/75/21/664517521.db2.gz DQZXBVJHUKGHRS-CYBMUJFWSA-N 1 0 384.933 2.777 20 0 GFADRO CN1CCN(c2cc[nH+]cc2NC(=O)/C=C/c2ccc(Br)o2)CC1 ZINC000919860790 664518904 /nfs/dbraw/zinc/51/89/04/664518904.db2.gz IDEMSWUHWWTHDR-HWKANZROSA-N 1 0 391.269 2.841 20 0 GFADRO O[C@H](C[NH2+]C[C@@H](O)c1ccco1)COc1ccc(Cl)cc1Br ZINC000920091899 664522145 /nfs/dbraw/zinc/52/21/45/664522145.db2.gz UCIFTOGFNNZIJJ-DGCLKSJQSA-N 1 0 390.661 2.758 20 0 GFADRO CCO[C@H](CNC(=O)N[C@H](CC)c1nc(C(F)(F)F)cs1)C[NH+](C)C ZINC000921093977 664537125 /nfs/dbraw/zinc/53/71/25/664537125.db2.gz VPLHFLGQIHWBLF-GHMZBOCLSA-N 1 0 382.452 2.879 20 0 GFADRO CCn1c(Br)c(Br)nc1CNC[C@H]1CCC[N@@H+]1C ZINC000921593440 664556724 /nfs/dbraw/zinc/55/67/24/664556724.db2.gz RCITXCYPMVZINC-SECBINFHSA-N 1 0 380.128 2.612 20 0 GFADRO Clc1cccc([C@@H](C[NH2+]Cc2nc(Br)c[nH]2)N2CCOCC2)c1 ZINC000921693666 664561055 /nfs/dbraw/zinc/56/10/55/664561055.db2.gz NIUAIWLQLLQMNK-CQSZACIVSA-N 1 0 399.720 2.989 20 0 GFADRO Cc1cccc(CNC2CC[NH+](CCC(=O)N(C)C)CC2)c1Br ZINC000921715210 664563452 /nfs/dbraw/zinc/56/34/52/664563452.db2.gz CSKDEOMUHDMETF-UHFFFAOYSA-N 1 0 382.346 2.790 20 0 GFADRO CC1([NH+]2CCC2)CCC(NS(=O)(=O)c2c[nH]c3nccc(Cl)c23)CC1 ZINC000921721410 664564336 /nfs/dbraw/zinc/56/43/36/664564336.db2.gz HZCQMEGEDICPMF-UHFFFAOYSA-N 1 0 382.917 2.902 20 0 GFADRO CC1([NH+]2CCC2)CCC(NS(=O)(=O)c2ccc(Br)o2)CC1 ZINC000921721382 664564352 /nfs/dbraw/zinc/56/43/52/664564352.db2.gz HOBIDRGHNCHQPM-UHFFFAOYSA-N 1 0 377.304 2.727 20 0 GFADRO CCn1c(C[NH2+]C[C@@](C)(O)C(C)C)nc(Br)c1Br ZINC000921732341 664565127 /nfs/dbraw/zinc/56/51/27/664565127.db2.gz MJKITEOCSMQRIM-GFCCVEGCSA-N 1 0 383.128 2.925 20 0 GFADRO Cc1cc(C[NH2+]C[C@@H]2CCCS2(=O)=O)c(C)cc1I ZINC000921864515 664574170 /nfs/dbraw/zinc/57/41/70/664574170.db2.gz UQKGBDDQZMANMT-ZDUSSCGKSA-N 1 0 393.290 2.575 20 0 GFADRO CCn1c(C[NH2+][C@H]2CC[C@H](O)CC2)nc(Br)c1Br ZINC000921927910 664577018 /nfs/dbraw/zinc/57/70/18/664577018.db2.gz ODKAJYQSAHFRTJ-KYZUINATSA-N 1 0 381.112 2.821 20 0 GFADRO Cc1cccc(C[NH2+][C@H]2CCO[C@]3(CCS(=O)(=O)C3)C2)c1Br ZINC000921969539 664579609 /nfs/dbraw/zinc/57/96/09/664579609.db2.gz MMEQDEZIACJZQN-GOEBONIOSA-N 1 0 388.327 2.583 20 0 GFADRO CCn1c(C[NH2+][C@@](C)(CO)C(C)C)nc(Br)c1Br ZINC000922138298 664587288 /nfs/dbraw/zinc/58/72/88/664587288.db2.gz IVJVBUFODGAHOQ-LBPRGKRZSA-N 1 0 383.128 2.925 20 0 GFADRO Cc1cc(C[NH2+][C@H]2CC[C@@H](O)[C@@H](O)CC2)c(C)cc1I ZINC000922340130 664595259 /nfs/dbraw/zinc/59/52/59/664595259.db2.gz CNVCYYOVZDMMOU-RBVVOMGSSA-N 1 0 389.277 2.662 20 0 GFADRO O=C(NCc1ccsc1Br)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000922370167 664597321 /nfs/dbraw/zinc/59/73/21/664597321.db2.gz GYDPIWPDBYXQKG-ZDUSSCGKSA-N 1 0 388.331 2.563 20 0 GFADRO Cc1nn(-c2cccc(Br)c2)cc1C[NH2+]CC[C@@H]1CC(=O)N(C)C1 ZINC000922484377 664603487 /nfs/dbraw/zinc/60/34/87/664603487.db2.gz KARJNUYJLDXFQQ-CQSZACIVSA-N 1 0 391.313 2.901 20 0 GFADRO CC(C)(C)n1cc(C[NH2+]Cc2ccc(F)c(Br)c2)c(=O)[nH]c1=O ZINC000922498436 664604323 /nfs/dbraw/zinc/60/43/23/664604323.db2.gz LSULBAQHMDQLIZ-UHFFFAOYSA-N 1 0 384.249 2.895 20 0 GFADRO OC1(C2(C[NH2+]Cc3cccc(I)c3)CC2)CCOCC1 ZINC000922593045 664607632 /nfs/dbraw/zinc/60/76/32/664607632.db2.gz FYDMWWVHPGUYLW-UHFFFAOYSA-N 1 0 387.261 2.703 20 0 GFADRO COc1cc(C[NH2+]C[C@H]2CCC3(CCOCC3)O2)cc(Br)c1O ZINC000922809288 664615262 /nfs/dbraw/zinc/61/52/62/664615262.db2.gz CSZDRANYHJQVQN-CYBMUJFWSA-N 1 0 386.286 2.981 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+]CC[C@@H]2OCCc3ccccc32)cc1Cl ZINC000922958933 664620051 /nfs/dbraw/zinc/62/00/51/664620051.db2.gz VQHMFXYIFLVMCZ-KRWDZBQOSA-N 1 0 380.897 2.781 20 0 GFADRO CCC[N@@H+]1CCC[C@H]1C(=O)Nc1cc(Br)cc2c1NC(=O)CO2 ZINC000923019941 664621350 /nfs/dbraw/zinc/62/13/50/664621350.db2.gz WKEKWTZAXDKDQN-LBPRGKRZSA-N 1 0 382.258 2.593 20 0 GFADRO CCC[N@@H+]1CCC[C@@H](C(=O)Nc2cc(Br)cc3c2NC(=O)CO3)C1 ZINC000923024137 664621454 /nfs/dbraw/zinc/62/14/54/664621454.db2.gz GFTHHXDRUXDZAL-LLVKDONJSA-N 1 0 396.285 2.841 20 0 GFADRO CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NC(=O)NCCC[C@H]1CC1(Cl)Cl)C2 ZINC000923096258 664622277 /nfs/dbraw/zinc/62/22/77/664622277.db2.gz ZZTAUZDQGXFBNI-SOXILONMSA-N 1 0 392.371 2.739 20 0 GFADRO O=C(Nc1ccc(Br)cn1)C1CCN(CCC[NH2+]C2CC2)CC1 ZINC000923322163 664628214 /nfs/dbraw/zinc/62/82/14/664628214.db2.gz SYBOFOTZUSRPTA-UHFFFAOYSA-N 1 0 381.318 2.637 20 0 GFADRO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NC(=O)NCC[C@@H]3CC3(Cl)Cl)C2)[C@H]1C(C)C ZINC000923371740 664629093 /nfs/dbraw/zinc/62/90/93/664629093.db2.gz ZTGPUXVANZRXFW-IETPZCKNSA-N 1 0 392.371 2.739 20 0 GFADRO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NC(=O)NCC[C@H]3CC3(Cl)Cl)C2)[C@@H]1C(C)C ZINC000923371735 664629099 /nfs/dbraw/zinc/62/90/99/664629099.db2.gz ZTGPUXVANZRXFW-CLBVLKOUSA-N 1 0 392.371 2.739 20 0 GFADRO CN(Cc1ncc(Br)cn1)C(=O)NC[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000923401244 664629840 /nfs/dbraw/zinc/62/98/40/664629840.db2.gz SMEQIHYHPXDYOL-OAHLLOKOSA-N 1 0 396.333 2.788 20 0 GFADRO [NH3+]C[C@@H]1CN(C[C@H](O)COc2c(Cl)cccc2Cl)C[C@@H]1C(F)(F)F ZINC000923426230 664630250 /nfs/dbraw/zinc/63/02/50/664630250.db2.gz OFAYXVQYQXEBAJ-VWYCJHECSA-N 1 0 387.229 2.802 20 0 GFADRO [NH3+]C[C@H]1CN(S(=O)(=O)c2cscc2C(F)F)CC[C@@H]1C(F)(F)F ZINC000923660970 664635218 /nfs/dbraw/zinc/63/52/18/664635218.db2.gz HCPZXGQEUAEBMF-CBAPKCEASA-N 1 0 378.388 2.834 20 0 GFADRO [NH3+]C[C@@H]1CC2(CO1)CCN(S(=O)(=O)c1cc(Cl)ccc1Cl)CC2 ZINC000923687722 664635804 /nfs/dbraw/zinc/63/58/04/664635804.db2.gz ZSRSEOHEGPAZNL-LBPRGKRZSA-N 1 0 379.309 2.512 20 0 GFADRO [NH3+]C[C@H]1CC2(CO1)CCN(S(=O)(=O)Cc1c(Cl)cccc1Cl)CC2 ZINC000923687379 664635879 /nfs/dbraw/zinc/63/58/79/664635879.db2.gz WMLIMIMNAAYFAS-GFCCVEGCSA-N 1 0 393.336 2.653 20 0 GFADRO C[C@@H]1CN(S(=O)(=O)c2cc(Br)sc2Cl)CC[C@@H]1C[NH3+] ZINC000923701386 664636396 /nfs/dbraw/zinc/63/63/96/664636396.db2.gz HJVXTPJIYMJNSP-HTQZYQBOSA-N 1 0 387.752 2.769 20 0 GFADRO C[C@@H]1CN(S(=O)(=O)c2cc(Cl)ccc2Br)CC[C@@H]1C[NH3+] ZINC000923704367 664636573 /nfs/dbraw/zinc/63/65/73/664636573.db2.gz RZOSRMIZWMUMEV-NXEZZACHSA-N 1 0 381.723 2.708 20 0 GFADRO Cc1ccsc1S(=O)(=O)N1C[C@@H](C[C@H]2COCC[NH2+]2)c2ccccc21 ZINC000923743141 664637380 /nfs/dbraw/zinc/63/73/80/664637380.db2.gz HFTKYPMGTNMKBY-CABCVRRESA-N 1 0 378.519 2.728 20 0 GFADRO CC(=O)N1CCN(CC[NH2+][C@@H](C)c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000924666208 664659380 /nfs/dbraw/zinc/65/93/80/664659380.db2.gz UMNJEWITACWWRX-NSHDSACASA-N 1 0 378.826 2.569 20 0 GFADRO O=C(NCC[NH2+][C@H](C1CCC1)[C@H]1CCOC1)c1ccc(Br)cc1 ZINC000924732077 664660374 /nfs/dbraw/zinc/66/03/74/664660374.db2.gz WHGONWUKYNVSQE-DOTOQJQBSA-N 1 0 381.314 2.974 20 0 GFADRO O=C(NCC[NH2+][C@@H](C1CCC1)[C@@H]1CCOC1)c1ccc(Br)cc1 ZINC000924732080 664660391 /nfs/dbraw/zinc/66/03/91/664660391.db2.gz WHGONWUKYNVSQE-WBVHZDCISA-N 1 0 381.314 2.974 20 0 GFADRO CNS(=O)(=O)Cc1ccc(C[NH2+][C@H]2CCCc3c(Cl)ccnc32)cc1 ZINC000924737871 664660552 /nfs/dbraw/zinc/66/05/52/664660552.db2.gz PFHWCWGEZWQYDY-KRWDZBQOSA-N 1 0 379.913 2.951 20 0 GFADRO O[C@@H](CN[C@@H](c1ccc(Br)cc1)c1cccnc1)C[NH+]1CCCC1 ZINC000924758028 664661090 /nfs/dbraw/zinc/66/10/90/664661090.db2.gz SFGZYTWAODMWOB-OALUTQOASA-N 1 0 390.325 2.980 20 0 GFADRO C[C@H](C[C@@H]1CCC(=O)N1)[NH2+]C[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000924772447 664661378 /nfs/dbraw/zinc/66/13/78/664661378.db2.gz BMPOICKOQWLMDO-FMKPAKJESA-N 1 0 380.330 2.922 20 0 GFADRO COc1cc(C[NH2+][C@H](C)c2cccc(Br)n2)ccc1OCC(N)=O ZINC000924837284 664662604 /nfs/dbraw/zinc/66/26/04/664662604.db2.gz JFUAKELFFASTDX-LLVKDONJSA-N 1 0 394.269 2.568 20 0 GFADRO C[C@H]([NH2+][C@H](c1nccs1)c1ccccc1)C1CCN(S(C)(=O)=O)CC1 ZINC000924864396 664663031 /nfs/dbraw/zinc/66/30/31/664663031.db2.gz LLVNBIRRKUYRON-YOEHRIQHSA-N 1 0 379.551 2.882 20 0 GFADRO C[C@@H](NC[C@@H]1C[N@H+](C)CCN1C)C(F)(F)c1ccc(Br)cc1 ZINC000925033517 664665599 /nfs/dbraw/zinc/66/55/99/664665599.db2.gz VZGDGTPLGSLNBZ-IUODEOHRSA-N 1 0 376.289 2.765 20 0 GFADRO CC[N@@H+]1CC[C@H]1CN1C(=O)CN([C@@H](C)c2cccc(Br)c2)C1=O ZINC000925095485 664666814 /nfs/dbraw/zinc/66/68/14/664666814.db2.gz IQKSOBRRCDXICX-WFASDCNBSA-N 1 0 380.286 2.869 20 0 GFADRO Cc1csc([C@@H]2CCCN(C(=O)N[C@@H]3CCC[N@@H+]4CCSC[C@@H]34)C2)n1 ZINC000925151570 664667505 /nfs/dbraw/zinc/66/75/05/664667505.db2.gz KEWYLBFLEQNBND-OAGGEKHMSA-N 1 0 380.583 2.920 20 0 GFADRO O=C(N[C@@H]1CCC[N@@H+]2CCSC[C@H]12)N1CCC2(CC1)C(F)(F)C2(F)F ZINC000925167863 664667871 /nfs/dbraw/zinc/66/78/71/664667871.db2.gz RMRIROZKOMDRHQ-VXGBXAGGSA-N 1 0 381.439 2.642 20 0 GFADRO Cc1ccc(OC(F)F)c(C[NH2+][C@H](C)C2CCN(S(C)(=O)=O)CC2)c1 ZINC000925254676 664669407 /nfs/dbraw/zinc/66/94/07/664669407.db2.gz RKTKCDZNKWVGQK-CYBMUJFWSA-N 1 0 376.469 2.746 20 0 GFADRO CCC[N@@H+]1CC[C@@H](N2C(=O)[C@@H]3Cc4c(Br)cccc4CN3C2=O)C1 ZINC000925357955 664670896 /nfs/dbraw/zinc/67/08/96/664670896.db2.gz IBBHWZGQBPKOSU-CJNGLKHVSA-N 1 0 392.297 2.622 20 0 GFADRO C[C@@H]([NH2+]Cc1sccc1Br)C1CCN(S(C)(=O)=O)CC1 ZINC000925357532 664670915 /nfs/dbraw/zinc/67/09/15/664670915.db2.gz GLSXZOKXFBIGKG-SNVBAGLBSA-N 1 0 381.361 2.660 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CC[NH2+][C@H](C)C[C@H]1CCC(=O)N1 ZINC000925405648 664672027 /nfs/dbraw/zinc/67/20/27/664672027.db2.gz PTTGWGFRTWRVBD-TZMCWYRMSA-N 1 0 382.302 2.733 20 0 GFADRO COCCC(=O)N1CCC([NH2+][C@@H]2CCCc3ncc(Br)cc32)CC1 ZINC000925557082 664673008 /nfs/dbraw/zinc/67/30/08/664673008.db2.gz BFVVNIIMSJAEFM-QGZVFWFLSA-N 1 0 396.329 2.839 20 0 GFADRO C[NH+](C)CC[C@@H](NC(=O)N1CCS[C@H](C(F)(F)F)C1)c1cccnc1 ZINC000925921501 664677480 /nfs/dbraw/zinc/67/74/80/664677480.db2.gz SYEVKTXJNZIIJH-KGLIPLIRSA-N 1 0 376.448 2.764 20 0 GFADRO COC(=O)c1cc(Cl)cc(NC(=O)N2CC[C@@H](C(F)(F)F)[C@H]([NH3+])C2)c1 ZINC000926038435 664679627 /nfs/dbraw/zinc/67/96/27/664679627.db2.gz VZIKTWUPTNDMRK-VXGBXAGGSA-N 1 0 379.766 2.870 20 0 GFADRO C[C@@H]1CN(C(=O)Nc2ccc(F)cc2I)C[C@H]1CC[NH3+] ZINC000926055601 664680164 /nfs/dbraw/zinc/68/01/64/664680164.db2.gz UGBMXFCMOBTYPP-NXEZZACHSA-N 1 0 391.228 2.879 20 0 GFADRO COCCOc1ccc(Br)cc1NC(=O)N1CC[C@@H](CC[NH3+])C1 ZINC000926086453 664681417 /nfs/dbraw/zinc/68/14/17/664681417.db2.gz MWCJALLIGQXDLL-GFCCVEGCSA-N 1 0 386.290 2.677 20 0 GFADRO COC(=O)c1cccc(NC(=O)N2CC[C@H](C[NH3+])[C@H](C)C2)c1Br ZINC000926104157 664681719 /nfs/dbraw/zinc/68/17/19/664681719.db2.gz FBSFZNNKPQFSTR-GHMZBOCLSA-N 1 0 384.274 2.684 20 0 GFADRO COC(=O)c1cccc(NC(=O)NCC[C@@H]2C[NH2+]C[C@H]2C)c1Br ZINC000926104689 664681800 /nfs/dbraw/zinc/68/18/00/664681800.db2.gz OARBBWULTCUXQZ-GHMZBOCLSA-N 1 0 384.274 2.603 20 0 GFADRO [NH3+][C@@H]1CN(C(=O)N[C@H](c2nccs2)C(F)(F)F)CC[C@H]1C(F)(F)F ZINC000926127320 664682352 /nfs/dbraw/zinc/68/23/52/664682352.db2.gz WYZFLBZOCACSLT-BWZBUEFSSA-N 1 0 376.326 2.668 20 0 GFADRO Cc1ncc(Br)cc1NC(=O)N1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000926131985 664682487 /nfs/dbraw/zinc/68/24/87/664682487.db2.gz CSIWDGSXPWHZJA-ZDUSSCGKSA-N 1 0 383.290 2.514 20 0 GFADRO CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NC(=O)[C@@H]1SCCc3sccc31)C2 ZINC000926169479 664683591 /nfs/dbraw/zinc/68/35/91/664683591.db2.gz FMQIPYNNPAMMSP-PGYIJGINSA-N 1 0 380.579 2.674 20 0 GFADRO [NH3+][C@@H]1CN(N2CCO[C@H](c3c(F)cccc3Cl)C2)CC[C@@H]1C(F)(F)F ZINC000926171323 664683783 /nfs/dbraw/zinc/68/37/83/664683783.db2.gz OZZOUAKDWCUNGR-GDLCADMTSA-N 1 0 381.801 2.979 20 0 GFADRO [NH3+]CC[C@H](NC(=O)N1CCC[C@H]1c1cncc(Br)c1)C(F)(F)F ZINC000926170201 664683794 /nfs/dbraw/zinc/68/37/94/664683794.db2.gz OZIQSDNGAZYPIO-RYUDHWBXSA-N 1 0 395.223 2.970 20 0 GFADRO Cc1ccc([C@H](NC[C@@]2(O)CC[N@@H+](C)C2)c2cncc(Br)c2)cc1 ZINC000926174608 664683911 /nfs/dbraw/zinc/68/39/11/664683911.db2.gz SOYHEQKMZQVDRI-OALUTQOASA-N 1 0 390.325 2.898 20 0 GFADRO [NH3+]CCN(Cc1cccc(Cl)c1)C(=O)N[C@H]([C@@H]1CCOC1)C(F)(F)F ZINC000926209375 664684829 /nfs/dbraw/zinc/68/48/29/664684829.db2.gz MXVHUGFJQMUUIW-TZMCWYRMSA-N 1 0 379.810 2.778 20 0 GFADRO C[C@@H]([NH2+][C@@H](C)CCCC(F)(F)F)c1ccc(S(=O)(=O)CC(N)=O)cc1 ZINC000926279550 664685907 /nfs/dbraw/zinc/68/59/07/664685907.db2.gz OOWYJTODTIBCFN-NWDGAFQWSA-N 1 0 380.432 2.717 20 0 GFADRO COc1cc(Br)cc(CNC(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)c1 ZINC000926291803 664686878 /nfs/dbraw/zinc/68/68/78/664686878.db2.gz XTZGXYAJWJQJOR-QGZVFWFLSA-N 1 0 382.302 2.695 20 0 GFADRO C[C@H](C[C@H]1CCC(=O)N1)[NH2+]Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000926297378 664687110 /nfs/dbraw/zinc/68/71/10/664687110.db2.gz AQRKQQLDHAHRDL-IUODEOHRSA-N 1 0 377.286 2.782 20 0 GFADRO Cc1cc(C[C@H]2CCC[C@@H]2[NH2+]CCn2cc(Br)ccc2=O)n(C)n1 ZINC000926503089 664690829 /nfs/dbraw/zinc/69/08/29/664690829.db2.gz SISQJBNCVFPJPB-PBHICJAKSA-N 1 0 393.329 2.654 20 0 GFADRO Cn1cc(I)c(C[NH2+][C@H]2CCC[C@@H]2Cc2ccccn2)n1 ZINC000926539178 664691788 /nfs/dbraw/zinc/69/17/88/664691788.db2.gz FQQIPJSMXVOXJE-DOMZBBRYSA-N 1 0 396.276 2.921 20 0 GFADRO CNS(=O)(=O)c1ccc(CC[NH2+][C@@H](C)c2cccc(Br)n2)cc1 ZINC000926809293 664696727 /nfs/dbraw/zinc/69/67/27/664696727.db2.gz XZXHXRQMXCHVMS-LBPRGKRZSA-N 1 0 398.326 2.646 20 0 GFADRO C[C@H]([NH2+]CCc1nnc2c(=O)n(C)ccn12)c1cc(Cl)cc(Cl)c1F ZINC000926872954 664698228 /nfs/dbraw/zinc/69/82/28/664698228.db2.gz YXCJWPCKZQZOET-VIFPVBQESA-N 1 0 384.242 2.767 20 0 GFADRO CN1CC[C@H]([NH2+]C2CC(CC(N)=O)C2)C[C@@H]1c1ccc(Br)cc1 ZINC000926885988 664698477 /nfs/dbraw/zinc/69/84/77/664698477.db2.gz CFFIFLJRJXMKMQ-FPLFOGFYSA-N 1 0 380.330 2.828 20 0 GFADRO C[C@H]([NH2+]C[C@@H]1CCCN1CC(F)(F)F)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000926927722 664699233 /nfs/dbraw/zinc/69/92/33/664699233.db2.gz WUMHOIHICGFSEO-AAEUAGOBSA-N 1 0 382.423 2.907 20 0 GFADRO C[C@H](CCc1ccc(I)cc1)[NH2+]CC[C@H]1CNC(=O)C1 ZINC000926977731 664700819 /nfs/dbraw/zinc/70/08/19/664700819.db2.gz FQPPKRKVUVYDDM-TZMCWYRMSA-N 1 0 386.277 2.728 20 0 GFADRO CN1CC[C@H]([NH2+]CC[C@@H]2CNC(=O)C2)C[C@@H]1c1ccc(Br)cc1 ZINC000926979007 664700991 /nfs/dbraw/zinc/70/09/91/664700991.db2.gz KBVSDPFTWCCVDO-RRQGHBQHSA-N 1 0 380.330 2.700 20 0 GFADRO COc1ccc(S(=O)(=O)N2CCC([NH2+][C@@H]3CCS[C@@H](C)C3)CC2)cc1 ZINC000927029288 664702645 /nfs/dbraw/zinc/70/26/45/664702645.db2.gz CJVWPHVSHHZHAK-GOEBONIOSA-N 1 0 384.567 2.722 20 0 GFADRO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)CC[C@@H]1C[NH3+] ZINC000927890539 664717345 /nfs/dbraw/zinc/71/73/45/664717345.db2.gz AADMHYJNLOOFIY-NXEZZACHSA-N 1 0 377.794 2.741 20 0 GFADRO Cc1oc(-c2cccs2)nc1CC(=O)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000928097765 664723027 /nfs/dbraw/zinc/72/30/27/664723027.db2.gz QFBRLAHVFOQOHF-ZFWWWQNUSA-N 1 0 377.535 2.950 20 0 GFADRO C[C@@H]1[C@H](NC(=O)c2cnc3c(Cl)cc(Br)cc3c2O)CC[N@@H+]1C ZINC000928441815 664732564 /nfs/dbraw/zinc/73/25/64/664732564.db2.gz PJWMGSIKPLWFQJ-AMIZOPFISA-N 1 0 398.688 2.766 20 0 GFADRO Cc1c(Br)cncc1C(=O)N[C@@H](CC[NH+](C)C)c1cccnc1 ZINC000928829724 664740493 /nfs/dbraw/zinc/74/04/93/664740493.db2.gz GPFJHQKISWTRRN-INIZCTEOSA-N 1 0 377.286 2.970 20 0 GFADRO C[N@@H+]1CCCC[C@H]1CCOC(=O)c1sccc1S(=O)(=O)N1CCCC1 ZINC000928986864 664744570 /nfs/dbraw/zinc/74/45/70/664744570.db2.gz RZOSTFRPKMMLHR-AWEZNQCLSA-N 1 0 386.539 2.564 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000929300890 664749694 /nfs/dbraw/zinc/74/96/94/664749694.db2.gz RLPORXKAIDUPAE-CVEARBPZSA-N 1 0 382.302 2.820 20 0 GFADRO COCCOCCOCC[N@H+](C)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000929331763 664750407 /nfs/dbraw/zinc/75/04/07/664750407.db2.gz WBVQPQYVFDYCGC-IRXDYDNUSA-N 1 0 378.296 2.563 20 0 GFADRO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)c1cc(=O)[nH]cc1Br ZINC000929342303 664750660 /nfs/dbraw/zinc/75/06/60/664750660.db2.gz CVCLOGXXZVLBMI-ZDUSSCGKSA-N 1 0 380.242 2.710 20 0 GFADRO Cc1ccc(Br)c2cc(C(=O)NCCCN3CC[NH+](C)CC3)[nH]c21 ZINC000929421575 664752002 /nfs/dbraw/zinc/75/20/02/664752002.db2.gz JYSGYKUXXYQVBB-UHFFFAOYSA-N 1 0 393.329 2.606 20 0 GFADRO CC(C)[NH+]1CCC(NC(=O)C[C@@H]2C(=O)Nc3c2cccc3Br)CC1 ZINC000929433102 664752346 /nfs/dbraw/zinc/75/23/46/664752346.db2.gz DZAJTPZHVKGBEF-AWEZNQCLSA-N 1 0 394.313 2.864 20 0 GFADRO CCOC(=O)[C@H](c1nc(Br)sc1C)N1CCC[C@H]([NH+](C)C)C1 ZINC000929486104 664753148 /nfs/dbraw/zinc/75/31/48/664753148.db2.gz ATIYDBGDXQCHAX-AAEUAGOBSA-N 1 0 390.347 2.844 20 0 GFADRO Cc1nc(-c2ccc(CCNC(=O)COC3CC[NH+](C)CC3)s2)cs1 ZINC000929561845 664754235 /nfs/dbraw/zinc/75/42/35/664754235.db2.gz FKIGRQIATKAZLK-UHFFFAOYSA-N 1 0 379.551 2.950 20 0 GFADRO C[C@@H](CS(C)(=O)=O)[N@H+](C)CCCCOc1ccc(Br)cc1 ZINC000929626383 664755128 /nfs/dbraw/zinc/75/51/28/664755128.db2.gz KPPZZBBMWFDDNA-ZDUSSCGKSA-N 1 0 378.332 2.973 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)CCc1ccc(S(C)(=O)=O)cc1)c1ccsc1 ZINC000929999867 664761053 /nfs/dbraw/zinc/76/10/53/664761053.db2.gz OCEWCKKTSNWUAF-QGZVFWFLSA-N 1 0 380.535 2.503 20 0 GFADRO COC(=O)c1ccc(Br)c(C[N@@H+]2CCCC[C@@H]2[C@H]2CNC(=O)C2)c1 ZINC000930138174 664763221 /nfs/dbraw/zinc/76/32/21/664763221.db2.gz NWKYWTBTFJNYKS-CZUORRHYSA-N 1 0 395.297 2.726 20 0 GFADRO COc1cc([C@H](C)[NH2+]Cc2ccc(Br)nc2N)ccc1OCCO ZINC000930207894 664764614 /nfs/dbraw/zinc/76/46/14/664764614.db2.gz UFURDWVATVLDRD-NSHDSACASA-N 1 0 396.285 2.657 20 0 GFADRO O[C@@H](C[NH+]1CCC(c2cccc(Br)c2)CC1)C[C@]1(O)CCOC1 ZINC000930314793 664766898 /nfs/dbraw/zinc/76/68/98/664766898.db2.gz HPZKJXPQDCRBPU-QZTJIDSGSA-N 1 0 384.314 2.531 20 0 GFADRO C[C@H](C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(I)cc1 ZINC000930368769 664768466 /nfs/dbraw/zinc/76/84/66/664768466.db2.gz VGXYHIKGZLUIHS-QWHCGFSZSA-N 1 0 398.288 2.995 20 0 GFADRO C[N@H+]1C[C@H]2CN(C(=O)Nc3nc(SCc4ccccc4)ns3)C[C@H]2C1 ZINC000930403233 664769501 /nfs/dbraw/zinc/76/95/01/664769501.db2.gz XTAICXWVUKDESU-OKILXGFUSA-N 1 0 375.523 2.856 20 0 GFADRO Cc1cc(C[NH2+][C@H](c2cnn(C)c2)C2(CO)CCC2)cnc1Br ZINC000930534405 664772524 /nfs/dbraw/zinc/77/25/24/664772524.db2.gz CBHVWIMJFHPHFH-OAHLLOKOSA-N 1 0 379.302 2.880 20 0 GFADRO Cc1ccc(Br)c(NC(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)c1 ZINC000930588997 664773748 /nfs/dbraw/zinc/77/37/48/664773748.db2.gz PRVPFUPCIHFLGG-HZPDHXFCSA-N 1 0 382.302 2.820 20 0 GFADRO COCC[NH+]1CCC(NC(=O)c2cc(Br)cnc2C2CC2)CC1 ZINC000930715389 664777065 /nfs/dbraw/zinc/77/70/65/664777065.db2.gz RCLCTXAEDNZOLY-UHFFFAOYSA-N 1 0 382.302 2.562 20 0 GFADRO Cc1csc(CC2(O)CC[NH+](C[C@](C)(O)C(F)(F)C(F)(F)F)CC2)n1 ZINC000930986339 664782459 /nfs/dbraw/zinc/78/24/59/664782459.db2.gz KRTLFAGDAUCLMM-LBPRGKRZSA-N 1 0 388.402 2.770 20 0 GFADRO CC[N@H+](Cc1ccc(Br)nc1N)[C@@H]1CCN(CC(F)(F)F)C1 ZINC000931005002 664782663 /nfs/dbraw/zinc/78/26/63/664782663.db2.gz DMUVYJULTFKQKH-LLVKDONJSA-N 1 0 381.240 2.885 20 0 GFADRO Cc1cc(Br)ccc1[C@H]1CCC[N@@H+]1C[C@H](O)C1(O)CCOCC1 ZINC000931260927 664789634 /nfs/dbraw/zinc/78/96/34/664789634.db2.gz HPVYLDZHAAIPBD-SJORKVTESA-N 1 0 384.314 2.797 20 0 GFADRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)Nc1ccc2nccnc2c1Br ZINC000931390653 664793494 /nfs/dbraw/zinc/79/34/94/664793494.db2.gz WRSDQYJGMQKPBI-HZMBPMFUSA-N 1 0 390.285 2.997 20 0 GFADRO CNC(=O)c1cccc(NC(=O)NCC[N@@H+]2CCC(C)(C)C2)c1Br ZINC000931405022 664793963 /nfs/dbraw/zinc/79/39/63/664793963.db2.gz FIEIAZHPKSMTPY-UHFFFAOYSA-N 1 0 397.317 2.662 20 0 GFADRO CNC(=O)c1cccc(NC(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)c1Br ZINC000931406087 664794048 /nfs/dbraw/zinc/79/40/48/664794048.db2.gz MVMAWEIPZREAAP-LLVKDONJSA-N 1 0 397.317 2.803 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(CC(=O)Nc3c(F)cc(F)cc3Br)C[C@@H]2C1 ZINC000931441852 664795046 /nfs/dbraw/zinc/79/50/46/664795046.db2.gz ZTWYZVIITLABRO-MNOVXSKESA-N 1 0 388.256 2.549 20 0 GFADRO C[C@@H](NC(=O)CN1CCC(O)(C[NH+](C)C)CC1)c1ccc(Cl)cc1Cl ZINC000931484510 664796165 /nfs/dbraw/zinc/79/61/65/664796165.db2.gz VCDVGCRZAVYDCD-CYBMUJFWSA-N 1 0 388.339 2.559 20 0 GFADRO C[C@@H](C(=O)Nc1ccc(Br)cc1)N1CC[NH+](CCCCCO)CC1 ZINC000931497276 664796416 /nfs/dbraw/zinc/79/64/16/664796416.db2.gz MNSNLWRETRAUOV-HNNXBMFYSA-N 1 0 398.345 2.556 20 0 GFADRO C[NH+]1CCC(Nc2ccccc2NC(=O)c2ncc(Br)cn2)CC1 ZINC000931587177 664799915 /nfs/dbraw/zinc/79/99/15/664799915.db2.gz WRNAEJUXBAYUJA-UHFFFAOYSA-N 1 0 390.285 2.998 20 0 GFADRO CC1(C)CNC(=O)[C@H]1[NH2+]CC(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000931659690 664801991 /nfs/dbraw/zinc/80/19/91/664801991.db2.gz ARRJMCUMCBWECI-GDBMZVCRSA-N 1 0 384.307 2.771 20 0 GFADRO CCC[NH+]1CCN(C(=O)c2cc3ccc(Br)cc3c(=O)o2)CC1 ZINC000931852848 664805917 /nfs/dbraw/zinc/80/59/17/664805917.db2.gz OAUKEHKTUCSXNA-UHFFFAOYSA-N 1 0 379.254 2.723 20 0 GFADRO O=C(Nc1ccn(C2CCSCC2)n1)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000932104729 664810196 /nfs/dbraw/zinc/81/01/96/664810196.db2.gz BABUMMUADZNTFU-HUUCEWRRSA-N 1 0 381.571 2.653 20 0 GFADRO COC(=O)C[C@@H]1C[N@H+](C[C@@H](O)COc2c(Cl)cccc2Cl)C[C@H]1C ZINC000932112753 664810316 /nfs/dbraw/zinc/81/03/16/664810316.db2.gz XQWDNYHCPHBYNM-JHJVBQTASA-N 1 0 376.280 2.864 20 0 GFADRO NC(=O)c1ccsc1NC(=O)CC[N@@H+]1CCC[C@@H](Cc2nccs2)C1 ZINC000932196577 664812975 /nfs/dbraw/zinc/81/29/75/664812975.db2.gz LLZZHURPSDIUPU-LBPRGKRZSA-N 1 0 378.523 2.587 20 0 GFADRO O=C(C[C@H]1C(=O)Nc2ccc(Br)cc21)N1CC[NH+](C2CCC2)CC1 ZINC000932762204 664835254 /nfs/dbraw/zinc/83/52/54/664835254.db2.gz VHDBSQNBMDZXRM-OAHLLOKOSA-N 1 0 392.297 2.572 20 0 GFADRO COCC[NH+]1CCC(NC(=O)Nc2cnc(C)c(Br)c2C)CC1 ZINC000932786677 664838465 /nfs/dbraw/zinc/83/84/65/664838465.db2.gz IYSHHSGVTHWYLI-UHFFFAOYSA-N 1 0 385.306 2.693 20 0 GFADRO Cc1cc(C(=O)NC2CC[NH+](Cc3cccnc3)CC2)cnc1Br ZINC000932872717 664841616 /nfs/dbraw/zinc/84/16/16/664841616.db2.gz ZQZHSQXPZFYRDK-UHFFFAOYSA-N 1 0 389.297 2.942 20 0 GFADRO CC(C)[NH+]1CCN(CCCNC2(c3ncc(Br)cn3)CCC2)CC1 ZINC000933321914 664859009 /nfs/dbraw/zinc/85/90/09/664859009.db2.gz NVQMENIFYIYBBS-UHFFFAOYSA-N 1 0 396.377 2.624 20 0 GFADRO O=C(c1ccc2c(Br)cnn2c1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000933335149 664859755 /nfs/dbraw/zinc/85/97/55/664859755.db2.gz UUCWWXDCYHKANR-ZDUSSCGKSA-N 1 0 377.286 2.655 20 0 GFADRO O=C(CC[N@@H+]1CCOC[C@H]1C[C@H]1CCOC1)Nc1ccc(Br)cc1 ZINC000933672057 664872194 /nfs/dbraw/zinc/87/21/94/664872194.db2.gz HDMKYAKEMJDOBU-RHSMWYFYSA-N 1 0 397.313 2.905 20 0 GFADRO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2cnn3cccc(Br)c23)C1 ZINC000933779160 664877907 /nfs/dbraw/zinc/87/79/07/664877907.db2.gz LDEFDUFVEOUXOZ-CYBMUJFWSA-N 1 0 379.302 2.901 20 0 GFADRO CC[NH+](CC)[C@@H]1CCN(C(=O)C[C@@H]2C(=O)Nc3c2cccc3Br)C1 ZINC000933794437 664878082 /nfs/dbraw/zinc/87/80/82/664878082.db2.gz NKEWQMXJRPJPIT-OCCSQVGLSA-N 1 0 394.313 2.818 20 0 GFADRO CC[NH+](CC)[C@@H]1CCN(C(=O)C[C@H]2C(=O)Nc3c2cccc3Br)C1 ZINC000933794439 664878083 /nfs/dbraw/zinc/87/80/83/664878083.db2.gz NKEWQMXJRPJPIT-TZMCWYRMSA-N 1 0 394.313 2.818 20 0 GFADRO CC[NH+](CC)[C@H]1CCN(C(=O)C[C@H]2C(=O)Nc3ccc(Br)cc32)C1 ZINC000933795137 664878134 /nfs/dbraw/zinc/87/81/34/664878134.db2.gz VNOKORBLMZPEQE-DZGCQCFKSA-N 1 0 394.313 2.818 20 0 GFADRO C[NH+](C)C1CCN(CCNC(=O)c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000934165073 664891368 /nfs/dbraw/zinc/89/13/68/664891368.db2.gz QENKXRZSRORBHQ-UHFFFAOYSA-N 1 0 378.826 2.510 20 0 GFADRO Cc1c(Br)cncc1NC(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1 ZINC000934252960 664894070 /nfs/dbraw/zinc/89/40/70/664894070.db2.gz RPVQJYFREVVYPY-ZDUSSCGKSA-N 1 0 385.306 2.727 20 0 GFADRO COc1ccc(Cl)cc1C(F)(F)C(=O)NCC[NH+]1CCC(OC)CC1 ZINC000934304141 664898107 /nfs/dbraw/zinc/89/81/07/664898107.db2.gz HVOZAHWQAKBMPK-UHFFFAOYSA-N 1 0 376.831 2.667 20 0 GFADRO Cc1cc2c(cc1Br)N(C(=O)COC1CC[NH+](C)CC1)C[C@H](C)O2 ZINC000934329353 664899541 /nfs/dbraw/zinc/89/95/41/664899541.db2.gz ZNNVNEYJVKPFAN-ZDUSSCGKSA-N 1 0 397.313 2.982 20 0 GFADRO O=c1cc(C[NH2+][C@H]2CCOC23CCCC3)nc2ccc(Br)cn12 ZINC000934389875 664904969 /nfs/dbraw/zinc/90/49/69/664904969.db2.gz FSZNNNUITAUSCF-AWEZNQCLSA-N 1 0 378.270 2.648 20 0 GFADRO CNC(=O)c1cccc(C[NH2+][C@](C)(CO)c2cccc(Br)c2)c1 ZINC000934497840 664909478 /nfs/dbraw/zinc/90/94/78/664909478.db2.gz QHKNWYAVBCWFDX-GOSISDBHSA-N 1 0 377.282 2.806 20 0 GFADRO COC(=O)c1cc(C[NH+]2CCC(CN=[S@](C)(=O)N(C)C)CC2)c(C)s1 ZINC000934761169 664919542 /nfs/dbraw/zinc/91/95/42/664919542.db2.gz WEYORFFBXVGDLZ-VWLOTQADSA-N 1 0 387.571 2.630 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)C[NH2+]C1(CC(N)=O)CCCCC1 ZINC000934823672 664924078 /nfs/dbraw/zinc/92/40/78/664924078.db2.gz NUASHBFIGPUICR-UHFFFAOYSA-N 1 0 382.302 2.864 20 0 GFADRO OC[C@@H]([NH2+]CCCc1cccnc1)c1ccccc1I ZINC000934827025 664924614 /nfs/dbraw/zinc/92/46/14/664924614.db2.gz QQQCIFPPVSKBAT-MRXNPFEDSA-N 1 0 382.245 2.942 20 0 GFADRO C[C@@H]1C[C@@H](C[NH2+][C@@H](CO)c2ccccc2I)CCO1 ZINC000934828775 664926144 /nfs/dbraw/zinc/92/61/44/664926144.db2.gz SYEMPZHWFVSZBG-XUJVJEKNSA-N 1 0 375.250 2.729 20 0 GFADRO Cn1ncc(I)c1C[N@@H+]1CCCC[C@@H]([C@@H]2CCOC2)C1 ZINC000934830910 664926443 /nfs/dbraw/zinc/92/64/43/664926443.db2.gz HDFMDOLZCHGTSZ-CHWSQXEVSA-N 1 0 389.281 2.663 20 0 GFADRO Cn1c(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc2cc(Br)cnc21 ZINC000934888584 664928175 /nfs/dbraw/zinc/92/81/75/664928175.db2.gz DBYKQPSWWIIZGR-SWLSCSKDSA-N 1 0 391.313 2.892 20 0 GFADRO O=C(NCCCC[N@H+]1CCC[C@H]1CO)c1cc(F)cc(Br)c1F ZINC000934955646 664931855 /nfs/dbraw/zinc/93/18/55/664931855.db2.gz XBDDJCXELATXFF-LBPRGKRZSA-N 1 0 391.256 2.694 20 0 GFADRO C[C@H](NC(=O)C1(n2cc(Br)cn2)CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000935313813 664953051 /nfs/dbraw/zinc/95/30/51/664953051.db2.gz AGFZYRAAFGKLGJ-KBPBESRZSA-N 1 0 395.345 2.904 20 0 GFADRO C[C@H]1C[N@H+](CCCNC(=O)c2cnc(CCC(F)(F)F)s2)CCCO1 ZINC000935654298 664978495 /nfs/dbraw/zinc/97/84/95/664978495.db2.gz GQDSTEWZQUFVFY-LBPRGKRZSA-N 1 0 379.448 2.869 20 0 GFADRO C[N@@H+]1CCN(CCNC(=O)C/C=C\c2ccc(Br)cc2)CC1(C)C ZINC000935819024 664990735 /nfs/dbraw/zinc/99/07/35/664990735.db2.gz PADONZJYEHQSHY-PLNGDYQASA-N 1 0 394.357 2.995 20 0 GFADRO COc1cc(Br)cc(C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000935840512 664992099 /nfs/dbraw/zinc/99/20/99/664992099.db2.gz OSQWFWZWFPAPKM-AWEZNQCLSA-N 1 0 397.313 2.642 20 0 GFADRO CCCN(CC[NH+]1CCCCC1)C(=O)c1cc(Br)cn2ncnc12 ZINC000935942572 665000466 /nfs/dbraw/zinc/00/04/66/665000466.db2.gz PPJHCEQMHQTDTJ-UHFFFAOYSA-N 1 0 394.317 2.830 20 0 GFADRO CC[C@@H]1[C@@H](NC(=O)c2cscc2Cl)CCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000985005805 665019196 /nfs/dbraw/zinc/01/91/96/665019196.db2.gz UMKIZEOCBSALFM-AVRGHOLYSA-N 1 0 383.945 2.851 20 0 GFADRO C[N@H+](CC[C@H]1CC1(Cl)Cl)C1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1 ZINC000985549658 665019565 /nfs/dbraw/zinc/01/95/65/665019565.db2.gz FBCOHBDCYUVISC-JOWCLZMLSA-N 1 0 387.351 2.917 20 0 GFADRO CC1(C)CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C[C@@H]1[NH2+]Cc1cnc(Cl)s1 ZINC000996049418 665027913 /nfs/dbraw/zinc/02/79/13/665027913.db2.gz BQITTWIUHHUCGP-QZOBBIQNSA-N 1 0 381.929 2.547 20 0 GFADRO C[N@@H+]1CC[C@H](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)c2ccc(Cl)s2)C1 ZINC000998630103 665040578 /nfs/dbraw/zinc/04/05/78/665040578.db2.gz JMLUZFBGIPJZQM-MQYQWHSLSA-N 1 0 381.929 2.605 20 0 GFADRO C[C@@H]1CC[N@H+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)c2sccc2Cl)C1 ZINC001000473160 665046997 /nfs/dbraw/zinc/04/69/97/665046997.db2.gz AJTLVADLWYAWAE-UXOAXIEHSA-N 1 0 381.929 2.605 20 0 GFADRO O=C(NC1CC[NH+](CC[C@@H]2CC2(Cl)Cl)CC1)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001003337305 665059930 /nfs/dbraw/zinc/05/99/30/665059930.db2.gz UEPOJMZSRWOLEC-LQKXBSAESA-N 1 0 375.340 2.966 20 0 GFADRO C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cscc1Cl ZINC001003866952 665062504 /nfs/dbraw/zinc/06/25/04/665062504.db2.gz IQHUHNLVLWDTRP-BQDHKBFISA-N 1 0 381.929 2.748 20 0 GFADRO C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1csc(Cl)c1 ZINC001006280503 665069667 /nfs/dbraw/zinc/06/96/67/665069667.db2.gz NVARMRLVPKREGW-NGFQHRJXSA-N 1 0 381.929 2.748 20 0 GFADRO C[C@@H]1[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ccc(Cl)s2)C3)CC[N@@H+]1C ZINC001006405030 665070364 /nfs/dbraw/zinc/07/03/64/665070364.db2.gz QUNVPTCFWVKAKT-KSTCHIGDSA-N 1 0 381.929 2.603 20 0 GFADRO CCN(C(=O)OC(C)(C)C)[C@H](C)C[NH2+]Cc1c(Br)cnn1C ZINC000387586871 677407707 /nfs/dbraw/zinc/40/77/07/677407707.db2.gz OSDAVQMTBHFVRH-LLVKDONJSA-N 1 0 375.311 2.918 20 0 GFADRO O=C(C[NH2+]Cc1cc(Br)c(Br)s1)NCC1CC1 ZINC000393197523 677410616 /nfs/dbraw/zinc/41/06/16/677410616.db2.gz DSFLOBRNBXVFQI-UHFFFAOYSA-N 1 0 382.121 2.889 20 0 GFADRO NS(=O)(=O)c1ccc(OCC[N@@H+]2CCSC[C@@H]2c2ccccc2)cc1 ZINC000115560516 677395537 /nfs/dbraw/zinc/39/55/37/677395537.db2.gz SOKBTVQHHJNQKG-GOSISDBHSA-N 1 0 378.519 2.503 20 0 GFADRO COc1cc(Br)ccc1[C@@H](C)[NH2+][C@H]1CCN(C2CCOCC2)C1=O ZINC000469332147 677413211 /nfs/dbraw/zinc/41/32/11/677413211.db2.gz KNHNWUIPHAXNHQ-WBMJQRKESA-N 1 0 397.313 2.888 20 0 GFADRO CC[NH+]1C[C@H](C)N(CC(=O)N(C)Cc2cc(Br)cs2)[C@@H](C)C1 ZINC000580244748 677673929 /nfs/dbraw/zinc/67/39/29/677673929.db2.gz VDDSFIQUNOOVDS-STQMWFEESA-N 1 0 388.375 2.884 20 0 GFADRO Fc1ccc(-c2nnc(N3CCN4CC[NH2+]C[C@H]4C3)c3ccccc32)cc1F ZINC001164407419 718839323 /nfs/dbraw/zinc/83/93/23/718839323.db2.gz WNKUWYLNVIYBNX-HNNXBMFYSA-N 1 0 381.430 2.669 20 0 GFADRO CC1CCN(Cc2nc3sc4c(c3c(N3C[C@@H]5C[C@]5([NH3+])C3)n2)CCC4)CC1 ZINC001164421373 718888412 /nfs/dbraw/zinc/88/84/12/718888412.db2.gz XMHRKRVCHQZRPR-QKKBWIMNSA-N 1 0 383.565 2.949 20 0 GFADRO CSc1ccc(C(F)(F)N2CCCO[C@]3(C[NH2+]CCOC3)C2)nc1Cl ZINC001164423798 718915516 /nfs/dbraw/zinc/91/55/16/718915516.db2.gz JJJKCBCMNQACJO-OAHLLOKOSA-N 1 0 393.887 2.587 20 0 GFADRO CCOC(=O)C1CC[NH+](C2CCN(c3nc(Cl)nc4cc[nH]c43)CC2)CC1 ZINC001164619628 719020886 /nfs/dbraw/zinc/02/08/86/719020886.db2.gz WICIDQOBBXIAGN-UHFFFAOYSA-N 1 0 391.903 2.855 20 0 GFADRO [NH3+]C1([C@H]2CN(C(F)(F)Cc3nc4c(ncnc4Cl)s3)C[C@H]2CF)CC1 ZINC001164621169 719126858 /nfs/dbraw/zinc/12/68/58/719126858.db2.gz LNIUJSNGVXHONY-BDAKNGLRSA-N 1 0 391.850 2.884 20 0 GFADRO COc1ccc(-c2nc3ccc(F)cc3c(N3C[C@@H]4OCC[N@H+](C)[C@H]4C3)n2)cc1 ZINC001164668171 719382542 /nfs/dbraw/zinc/38/25/42/719382542.db2.gz QRSCCGRXELBXKL-PMACEKPBSA-N 1 0 394.450 2.964 20 0 GFADRO CCOC(=O)c1c(Cl)c2ccccc2nc1N1C[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC001164672354 719435637 /nfs/dbraw/zinc/43/56/37/719435637.db2.gz QWPDEOCJBIFSDW-HUUCEWRRSA-N 1 0 375.856 2.584 20 0 GFADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1nc(Cl)nc3c(C)cccc31)CC2 ZINC001164683462 719709516 /nfs/dbraw/zinc/70/95/16/719709516.db2.gz KMLINYAUMNHMLS-UHFFFAOYSA-N 1 0 387.915 2.772 20 0 GFADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1csc3ncnc(Cl)c13)CC2 ZINC001164682935 719713968 /nfs/dbraw/zinc/71/39/68/719713968.db2.gz HNCIRUWMTUCREZ-UHFFFAOYSA-N 1 0 379.917 2.526 20 0 GFADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1nc(Cl)nc3c(F)cccc31)CC2 ZINC001164685242 719716700 /nfs/dbraw/zinc/71/67/00/719716700.db2.gz SVVZQUVHRCTXBY-UHFFFAOYSA-N 1 0 391.878 2.603 20 0 GFADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1ccc(-c3cc(C)ccc3C)nn1)CC2 ZINC001164689348 719743724 /nfs/dbraw/zinc/74/37/24/719743724.db2.gz CAJKHCLSHCYVKW-UHFFFAOYSA-N 1 0 393.535 2.941 20 0 GFADRO COC(=O)c1cc(N2CCC3(CCC[N@@H+]3Cc3csc(C)n3)CC2)ncn1 ZINC001164692547 719807622 /nfs/dbraw/zinc/80/76/22/719807622.db2.gz IYTGETUOMHIRBE-UHFFFAOYSA-N 1 0 387.509 2.663 20 0 GFADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2nccc4c2NC(=O)CO4)CC3)cs1 ZINC001164694095 719808900 /nfs/dbraw/zinc/80/89/00/719808900.db2.gz UTHVNPLHCSJKPZ-UHFFFAOYSA-N 1 0 399.520 2.812 20 0 GFADRO Cn1cc([C@@H]2COC3(C2)CCN(c2ncccc2C[NH+]2CCCC2)CC3)cn1 ZINC001164699585 719827030 /nfs/dbraw/zinc/82/70/30/719827030.db2.gz XQZYXPXLZCBUMW-IBGZPJMESA-N 1 0 381.524 2.954 20 0 GFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(C)c(F)cc1C(=O)OC)C2 ZINC001164815499 720116437 /nfs/dbraw/zinc/11/64/37/720116437.db2.gz VZMZDXAROCMPDD-KKSFZXQISA-N 1 0 391.487 2.500 20 0 GFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ncc3ncn(C(C)C)c3n1)C2 ZINC001164813627 720170323 /nfs/dbraw/zinc/17/03/23/720170323.db2.gz CVZDHEGEJIUEQF-UTKZUKDTSA-N 1 0 384.528 2.592 20 0 GFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ccc(-c3ccccn3)nn1)C2 ZINC001164819857 720181342 /nfs/dbraw/zinc/18/13/42/720181342.db2.gz YRBLVLKSDFXMQC-PGRDOPGGSA-N 1 0 379.508 2.723 20 0 GFADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1cc(C3CCC3)ncn1)CCC2 ZINC001164818262 720241831 /nfs/dbraw/zinc/24/18/31/720241831.db2.gz XUQJEPCWJOTYNI-UHFFFAOYSA-N 1 0 382.512 2.551 20 0 GFADRO Cc1cc(Cl)cc(N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164827782 720292751 /nfs/dbraw/zinc/29/27/51/720292751.db2.gz YBFHQVMWKZLARS-QZTJIDSGSA-N 1 0 376.932 2.955 20 0 GFADRO CCc1ncnc(Cl)c1N1CC[C@@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164821326 720299213 /nfs/dbraw/zinc/29/92/13/720299213.db2.gz JYKYNMUKFNYVMN-IAGOWNOFSA-N 1 0 391.947 2.604 20 0 GFADRO COc1cc(Cl)cc(N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164823167 720315406 /nfs/dbraw/zinc/31/54/06/720315406.db2.gz PCCFFZKNAWQLNY-IAGOWNOFSA-N 1 0 392.931 2.655 20 0 GFADRO Cc1csc2cnc(N3CC[C@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)nc12 ZINC001164832972 720334064 /nfs/dbraw/zinc/33/40/64/720334064.db2.gz VBVVYFCUWAGVKS-SJORKVTESA-N 1 0 399.564 2.911 20 0 GFADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2ccc(C(C)(C)C)nn2)CC1 ZINC001164821568 720339997 /nfs/dbraw/zinc/33/99/97/720339997.db2.gz BFIJGJKLSKVURB-QZTJIDSGSA-N 1 0 385.556 2.686 20 0 GFADRO CCc1cc(Cl)nc(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164822768 720351206 /nfs/dbraw/zinc/35/12/06/720351206.db2.gz FFSCYYOHZZOOCC-DLBZAZTESA-N 1 0 391.947 2.604 20 0 GFADRO Cc1noc([C@@H]2CC[C@@H]3[C@H](CCN3c3cccc(OCC[NH+]4CCCC4)n3)O2)n1 ZINC001164828786 720406534 /nfs/dbraw/zinc/40/65/34/720406534.db2.gz LGFDJBBNIANMMT-SQNIBIBYSA-N 1 0 399.495 2.747 20 0 GFADRO COC(=O)c1cc2c[nH]c(N3CC[C@@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)cc-2n1 ZINC001164726413 720420068 /nfs/dbraw/zinc/42/00/68/720420068.db2.gz BYCRQPTWTLTTLN-RTBURBONSA-N 1 0 377.448 2.598 20 0 GFADRO CC(C)[N@H+]1[C@@H]2CCN(c3nccc(N4CCCC4)n3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164841164 720504923 /nfs/dbraw/zinc/50/49/23/720504923.db2.gz XSPULMHVWUQOIJ-SLFFLAALSA-N 1 0 395.555 2.651 20 0 GFADRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(c2nc3cc(F)c(F)cc3nc2Cl)C1 ZINC001164730859 720512513 /nfs/dbraw/zinc/51/25/13/720512513.db2.gz UJSBWABJCQKZBA-LLVKDONJSA-N 1 0 392.841 2.956 20 0 GFADRO COC(=O)c1cnc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c(C)c1 ZINC001164835316 720524677 /nfs/dbraw/zinc/52/46/77/720524677.db2.gz JWSVWDLWKLFZCH-VAMGGRTRSA-N 1 0 397.523 2.751 20 0 GFADRO CCOc1ccc(-c2ccc(N3Cc4nccn4C[C@H](C[NH+](C)C)C3)nn2)cc1 ZINC001164735455 720528402 /nfs/dbraw/zinc/52/84/02/720528402.db2.gz XWHNIIKSGKMIIQ-KRWDZBQOSA-N 1 0 392.507 2.937 20 0 GFADRO COc1cc(OC)nc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c1 ZINC001164843033 720543988 /nfs/dbraw/zinc/54/39/88/720543988.db2.gz ZOHFEENLPSFCIO-ZHALLVOQSA-N 1 0 385.512 2.673 20 0 GFADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3nnc(Cl)cc3F)CC[C@@H]21 ZINC001164843042 720546568 /nfs/dbraw/zinc/54/65/68/720546568.db2.gz ZOOPJSVCZOJAGU-YCPHGPKFSA-N 1 0 378.883 2.843 20 0 GFADRO COCOc1ccc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)nc1 ZINC001164842083 720550198 /nfs/dbraw/zinc/55/01/98/720550198.db2.gz WIWPPRHDEJHPQE-QWFCFKBJSA-N 1 0 385.512 2.639 20 0 GFADRO FC(F)(c1cnnc(Cl)c1)N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001164730877 720565168 /nfs/dbraw/zinc/56/51/68/720565168.db2.gz ZVPACVZUQOXISZ-UHFFFAOYSA-N 1 0 382.846 2.530 20 0 GFADRO Clc1nc2ncsc2c(N2CCc3ncc(C[NH+]4CCCC4)n3CC2)n1 ZINC001164727350 720566204 /nfs/dbraw/zinc/56/62/04/720566204.db2.gz FEXPGMSWYNHXBI-UHFFFAOYSA-N 1 0 389.916 2.595 20 0 GFADRO Cc1sc2nc(C)nc(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)c2c1C ZINC001164739338 720691069 /nfs/dbraw/zinc/69/10/69/720691069.db2.gz NCSWXSYCCBVRTB-HZPDHXFCSA-N 1 0 396.520 2.748 20 0 GFADRO CCCc1cc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc(C)n1 ZINC001164741162 720838427 /nfs/dbraw/zinc/83/84/27/720838427.db2.gz DMEZBIJFEBPWPF-HLAWJBBLSA-N 1 0 395.555 2.708 20 0 GFADRO COCC[N@@H+]1CCO[C@H]2CN(C(F)(F)c3cnc(Cl)c(F)c3)CC[C@H]2C1 ZINC001164857712 720852352 /nfs/dbraw/zinc/85/23/52/720852352.db2.gz YNIZLZATWVMDDO-WFASDCNBSA-N 1 0 393.837 2.593 20 0 GFADRO COCC[N@@H+]1CCO[C@@H]2CN(c3nnc(Cl)c4cccc(C)c43)CC[C@@H]2C1 ZINC001164853547 720852528 /nfs/dbraw/zinc/85/25/28/720852528.db2.gz HFSFJMKGKBRPHH-NVXWUHKLSA-N 1 0 390.915 2.765 20 0 GFADRO CC[C@H](C)c1nc2[nH]ccc2c(N2CC[C@@H]3C[N@H+](CCOC)CCO[C@@H]3C2)n1 ZINC001164855853 720893163 /nfs/dbraw/zinc/89/31/63/720893163.db2.gz CTCKKWKZYKNSHN-LZLYRXPVSA-N 1 0 387.528 2.645 20 0 GFADRO C[NH+](C)Cc1ccnc(N2CC[C@]3(C2)C[C@H](NC(=O)c2ccccc2)CCO3)c1 ZINC001164855200 720902639 /nfs/dbraw/zinc/90/26/39/720902639.db2.gz HWNCWPXRBMSBSI-NFBKMPQASA-N 1 0 394.519 2.701 20 0 GFADRO CC(C)OC(=O)c1ccc(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@H]2C)nn1 ZINC001164860636 720939859 /nfs/dbraw/zinc/93/98/59/720939859.db2.gz QPVLIZDTWNCHHH-OAHLLOKOSA-N 1 0 386.500 2.660 20 0 GFADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1nc(Cl)c(F)cc1C(N)=O)[C@@H]2C ZINC001164857664 720942365 /nfs/dbraw/zinc/94/23/65/720942365.db2.gz GXQXYTJMYBMWEM-LLVKDONJSA-N 1 0 394.882 2.591 20 0 GFADRO Cc1cccc2c(C)cc(N3CCc4onc(C(=O)NCC[NH+](C)C)c4C3)nc12 ZINC001164750834 720946859 /nfs/dbraw/zinc/94/68/59/720946859.db2.gz NWYIQKSIIDJIGL-UHFFFAOYSA-N 1 0 393.491 2.694 20 0 GFADRO Cc1csc2ncnc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)c12 ZINC001164870041 721043570 /nfs/dbraw/zinc/04/35/70/721043570.db2.gz VIYNQBQJSQSQHS-IAGOWNOFSA-N 1 0 381.505 2.874 20 0 GFADRO Cc1cccc(CN2C(=O)C[C@@H]3[C@@H]2CCN3c2ccc(C[N@@H+](C)C3CC3)cn2)n1 ZINC001164766617 721055196 /nfs/dbraw/zinc/05/51/96/721055196.db2.gz FQQVBLUMUCONKP-LEWJYISDSA-N 1 0 391.519 2.759 20 0 GFADRO Cc1cccc2c1ncnc2N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164867143 721066136 /nfs/dbraw/zinc/06/61/36/721066136.db2.gz ILOOLXCABQVHNT-OALUTQOASA-N 1 0 375.476 2.813 20 0 GFADRO Cc1nc2ccc(F)cc2c(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164867543 721066926 /nfs/dbraw/zinc/06/69/26/721066926.db2.gz JODVOBYOJHTXMY-RTBURBONSA-N 1 0 393.466 2.952 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4cc(C(=O)OC(C)(C)C)ccn4)C[C@@H]3C2)cn1 ZINC001164773195 721088118 /nfs/dbraw/zinc/08/81/18/721088118.db2.gz XBANDIZZFQVTND-MOPGFXCFSA-N 1 0 397.523 2.729 20 0 GFADRO Cc1cccc2ncnc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)c12 ZINC001164867744 721094109 /nfs/dbraw/zinc/09/41/09/721094109.db2.gz ZYCBTUFCKROUHK-MOPGFXCFSA-N 1 0 375.476 2.813 20 0 GFADRO COc1ccc2c(ccnc2N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@H]3C2)c1 ZINC001164761676 721096830 /nfs/dbraw/zinc/09/68/30/721096830.db2.gz CMWGITVRYRYXSB-OALUTQOASA-N 1 0 377.492 2.935 20 0 GFADRO COc1ccc2nc(N3C[C@H]4CC[N@H+](Cc5cnn(C)c5)C[C@@H]4C3)ccc2c1 ZINC001164766508 721107550 /nfs/dbraw/zinc/10/75/50/721107550.db2.gz LTBJBYJFOLRYFI-RTBURBONSA-N 1 0 377.492 2.935 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4ncnc5cc(Cl)ccc54)C[C@@H]3C2)cn1 ZINC001164762220 721108614 /nfs/dbraw/zinc/10/86/14/721108614.db2.gz COXMTPOKXLHDPW-HOTGVXAUSA-N 1 0 382.899 2.975 20 0 GFADRO FC(F)(c1nccnc1Cl)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164873625 721130737 /nfs/dbraw/zinc/13/07/37/721130737.db2.gz JITUMOWQKPZCBV-HUUCEWRRSA-N 1 0 395.841 2.550 20 0 GFADRO CSc1ncc(Cl)nc1N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164871562 721131818 /nfs/dbraw/zinc/13/18/18/721131818.db2.gz FIMOCSUNVIYCSE-GJZGRUSLSA-N 1 0 391.928 2.727 20 0 GFADRO Cc1cc2cccnc2c(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164876432 721170992 /nfs/dbraw/zinc/17/09/92/721170992.db2.gz MJLABILMSUAZMG-VQTJNVASSA-N 1 0 375.476 2.813 20 0 GFADRO COc1ccc2ccnc(N3C[C@H]4CC[N@H+](Cc5cnn(C)c5)C[C@@H]4C3)c2c1 ZINC001164762025 721175207 /nfs/dbraw/zinc/17/52/07/721175207.db2.gz BXMWDERFIUCBPH-RTBURBONSA-N 1 0 377.492 2.935 20 0 GFADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@H]3OCCN(c4cnccn4)[C@@H]3C2)nc1 ZINC001164763744 721266311 /nfs/dbraw/zinc/26/63/11/721266311.db2.gz FWUPNDVQDZYMAA-VAMGGRTRSA-N 1 0 394.523 2.513 20 0 GFADRO Cc1ccc(Cl)nc1N1CC[C@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2 ZINC001164894533 721380763 /nfs/dbraw/zinc/38/07/63/721380763.db2.gz YVBZWSUYPPKXFT-XLIONFOSSA-N 1 0 378.948 2.809 20 0 GFADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4ncnc5c(F)cccc54)C3)O2)CC1 ZINC001164886643 721406051 /nfs/dbraw/zinc/40/60/51/721406051.db2.gz KIHOIUOGTBLTEU-VGSWGCGISA-N 1 0 399.514 2.534 20 0 GFADRO Cc1nc(Cl)c(N2CC[C@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)nc1C ZINC001164883480 721412400 /nfs/dbraw/zinc/41/24/00/721412400.db2.gz ABXMZWQXQUUWNG-PXNSSMCTSA-N 1 0 393.963 2.512 20 0 GFADRO Cc1cccc2ncnc(N3CC[C@]4(C3)CCC[C@H](C[NH+]3CCN(C)CC3)O4)c12 ZINC001164891411 721415311 /nfs/dbraw/zinc/41/53/11/721415311.db2.gz VZNQJFFJSOMIDV-XXBNENTESA-N 1 0 395.551 2.704 20 0 GFADRO Cc1ccc2nc(N3CC[C@@]4(C3)CCC[C@@H](C[NH+]3CCN(C)CC3)O4)ncc2c1 ZINC001164885116 721415543 /nfs/dbraw/zinc/41/55/43/721415543.db2.gz FPQRVIUEVARCGA-NZQKXSOJSA-N 1 0 395.551 2.704 20 0 GFADRO CSc1cccnc1N1CC[C@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2 ZINC001164892954 721418314 /nfs/dbraw/zinc/41/83/14/721418314.db2.gz ZKDURNCQUVFWFX-XLIONFOSSA-N 1 0 376.570 2.569 20 0 GFADRO CC(C)Oc1cccc(N2CC[C@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)n1 ZINC001164885188 721418349 /nfs/dbraw/zinc/41/83/49/721418349.db2.gz GEKRQIUJLSMDDH-KNQAVFIVSA-N 1 0 388.556 2.634 20 0 GFADRO Cc1nnc(N2CC[C@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)c2ccccc12 ZINC001164890309 721432663 /nfs/dbraw/zinc/43/26/63/721432663.db2.gz DJUSUYWCAYBQIB-CVDCTZTESA-N 1 0 395.551 2.704 20 0 GFADRO CCc1cnc(N2CCC3(C[C@@H](COCC4CC4)[N@H+](CCOC)C3)CC2)nc1 ZINC001164786473 721450743 /nfs/dbraw/zinc/45/07/43/721450743.db2.gz MQNDKIZHBZBNLZ-FQEVSTJZSA-N 1 0 388.556 2.773 20 0 GFADRO COC(=O)c1ccc(C)nc1N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164901403 721516106 /nfs/dbraw/zinc/51/61/06/721516106.db2.gz WZMNNJPOJKQAKZ-WMZOPIPTSA-N 1 0 385.439 2.658 20 0 GFADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncnc3c2CCCC3)[C@@H]2CCCO[C@H]12 ZINC001164800770 721548701 /nfs/dbraw/zinc/54/87/01/721548701.db2.gz DMWDTDHLJHDSCI-NJYVYQBISA-N 1 0 379.508 2.619 20 0 GFADRO CC(C)n1cnc2cnc(N3CC[N@@H+]4C[C@H](Oc5cccc(F)c5)C[C@H]4C3)nc21 ZINC001164907186 721553964 /nfs/dbraw/zinc/55/39/64/721553964.db2.gz MNOUQHXBOXSUKI-FUHWJXTLSA-N 1 0 396.470 2.888 20 0 GFADRO Nc1nc(Cl)cc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)n1 ZINC001164905714 721582877 /nfs/dbraw/zinc/58/28/77/721582877.db2.gz VHHZNAUXCMELGC-KRWDZBQOSA-N 1 0 394.857 2.845 20 0 GFADRO COc1nc(C)cc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)n1 ZINC001164908915 721703782 /nfs/dbraw/zinc/70/37/82/721703782.db2.gz ZLJXNOHDIHSENT-IBGZPJMESA-N 1 0 389.450 2.926 20 0 GFADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2nc(Cl)nc3c2CCCC3)CC1 ZINC001165008838 721732730 /nfs/dbraw/zinc/73/27/30/721732730.db2.gz RYWBVZCPEMTVHG-UHFFFAOYSA-N 1 0 391.947 2.532 20 0 GFADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2ccc3c(Cl)ccnc3n2)CC1 ZINC001165009910 721740646 /nfs/dbraw/zinc/74/06/46/721740646.db2.gz JRWMYYVMOGCMIW-UHFFFAOYSA-N 1 0 387.915 2.806 20 0 GFADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2ccc(COC3CCC3)cn2)CC1 ZINC001165012184 721748708 /nfs/dbraw/zinc/74/87/08/721748708.db2.gz BJPVRYMFBMBBSG-UHFFFAOYSA-N 1 0 386.540 2.674 20 0 GFADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc(Cl)c(C(N)=O)n3)C[C@H]21 ZINC001165026907 721803111 /nfs/dbraw/zinc/80/31/11/721803111.db2.gz SDWHSWYXIKBQCN-YXJHDRRASA-N 1 0 399.926 2.966 20 0 GFADRO COCc1nc(OC)cc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)n1 ZINC001165021536 721830703 /nfs/dbraw/zinc/83/07/03/721830703.db2.gz FYPJLEQSRSTXPS-YTQUADARSA-N 1 0 397.523 2.764 20 0 GFADRO COCc1cc(N2CC[C@H]3[C@H]2CC[N@@H+]3CCN(C)C)nc(-c2ccccc2)n1 ZINC001164930738 721850898 /nfs/dbraw/zinc/85/08/98/721850898.db2.gz SKSPBIOXFJQSIJ-VQTJNVASSA-N 1 0 381.524 2.505 20 0 GFADRO Cc1cc2nc(N3CCC(C[NH+](C)C)CC3)nc(N3CCOCC3)c2s1 ZINC001165042487 721946765 /nfs/dbraw/zinc/94/67/65/721946765.db2.gz TWIZZEYZOJINRE-UHFFFAOYSA-N 1 0 375.542 2.614 20 0 GFADRO C[NH+](C)CC1CCN(c2ccc(-c3ccc(N4CCOCC4)cc3)nn2)CC1 ZINC001165042804 721950518 /nfs/dbraw/zinc/95/05/18/721950518.db2.gz RRNJZVVBSPBIKH-UHFFFAOYSA-N 1 0 381.524 2.758 20 0 GFADRO COC(=O)c1cc2c[nH]c(N3CC[NH+](CCOc4ccccc4)CC3)cc-2n1 ZINC001165044017 721958575 /nfs/dbraw/zinc/95/85/75/721958575.db2.gz CHQMGPGUVJDROA-UHFFFAOYSA-N 1 0 380.448 2.551 20 0 GFADRO CCOC(=O)c1c(C)ncnc1N1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001164952552 722018422 /nfs/dbraw/zinc/01/84/22/722018422.db2.gz NJOYLOIKKDWBHN-UHFFFAOYSA-N 1 0 395.507 2.849 20 0 GFADRO c1cnc2nc(N3CCC4(CC3)COCC[N@@H+](Cc3ccncc3)C4)cnc2c1 ZINC001164964749 722055339 /nfs/dbraw/zinc/05/53/39/722055339.db2.gz XOECYDRULGOHRL-UHFFFAOYSA-N 1 0 390.491 2.539 20 0 GFADRO c1cnc2nc(N3CCC4(CC3)COCC[N@@H+](Cc3ccncc3)C4)ncc2c1 ZINC001164963798 722056749 /nfs/dbraw/zinc/05/67/49/722056749.db2.gz LIBXZMVWGFKOJW-UHFFFAOYSA-N 1 0 390.491 2.539 20 0 GFADRO c1nc2cnc(N3CCC4(CC3)COCC[N@@H+](Cc3ccncc3)C4)nc2s1 ZINC001164962190 722057919 /nfs/dbraw/zinc/05/79/19/722057919.db2.gz AXBJYFRUSFSXBY-UHFFFAOYSA-N 1 0 396.520 2.600 20 0 GFADRO CSc1nc(C)cc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164984680 722099516 /nfs/dbraw/zinc/09/95/16/722099516.db2.gz TXTIBVCNQQUAPZ-ROUUACIJSA-N 1 0 385.537 2.629 20 0 GFADRO Fc1ccc2c(c1)ncnc2N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164984731 722103748 /nfs/dbraw/zinc/10/37/48/722103748.db2.gz UGQUVCJOGDNPEO-LAUBAEHRSA-N 1 0 393.466 2.891 20 0 GFADRO c1ccc2nnc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)cc2c1 ZINC001164983642 722119921 /nfs/dbraw/zinc/11/99/21/722119921.db2.gz YTJMWWIXBCBYAN-PZJWPPBQSA-N 1 0 375.476 2.752 20 0 GFADRO COc1cnc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c(Cl)c1 ZINC001164980248 722129672 /nfs/dbraw/zinc/12/96/72/722129672.db2.gz MDQVDDJOWDSJJT-APWZRJJASA-N 1 0 388.899 2.866 20 0 GFADRO CN1c2ccccc2[C@]2(CCN(c3cccc(OCC[NH+]4CCCC4)n3)C2)C1=O ZINC001164976858 722162410 /nfs/dbraw/zinc/16/24/10/722162410.db2.gz DOYIDOGANUBKOE-HSZRJFAPSA-N 1 0 392.503 2.681 20 0 GFADRO COC(=O)c1cc(N2CCC[C@@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)ncc1N ZINC001164992818 722196840 /nfs/dbraw/zinc/19/68/40/722196840.db2.gz AZQJUWOPLHNSSN-OAQYLSRUSA-N 1 0 384.455 2.834 20 0 GFADRO NC(=O)c1cc(Cl)nc(N2CCC[C@@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)n1 ZINC001164994329 722197388 /nfs/dbraw/zinc/19/73/88/722197388.db2.gz NESZVNAZRRKZBD-LJQANCHMSA-N 1 0 389.862 2.613 20 0 GFADRO CCN(CC)c1ccnc([C@H]2COCCN2c2ncccc2C[NH+]2CCCC2)n1 ZINC001164998611 722227694 /nfs/dbraw/zinc/22/76/94/722227694.db2.gz CVUUCJZCDPHHMN-LJQANCHMSA-N 1 0 396.539 2.892 20 0 GFADRO CC[NH+](CC)[C@H](CNc1ncc(S(N)(=O)=O)s1)c1ccccc1Cl ZINC000506824097 532755171 /nfs/dbraw/zinc/75/51/71/532755171.db2.gz MBNVLHVPMSKFCN-CYBMUJFWSA-N 1 0 388.946 2.939 20 0 GFADRO Cc1ccccc1[C@@H](CN1CCOCC1)[NH2+]CC(=O)N1CCc2sccc2C1 ZINC000359868594 206265565 /nfs/dbraw/zinc/26/55/65/206265565.db2.gz KJVIZWACAZWOSU-HXUWFJFHSA-N 1 0 399.560 2.604 20 0 GFADRO CC(=O)Nc1cc(NC(C)=O)cc(C(=O)NCc2ccc(C[NH+](C)C)cc2)c1 ZINC000023961939 207284267 /nfs/dbraw/zinc/28/42/67/207284267.db2.gz RRNNSCTYHUVLBS-UHFFFAOYSA-N 1 0 382.464 2.595 20 0 GFADRO C[C@@H](NC(=O)c1csc(I)c1)C1CC[NH+](C)CC1 ZINC000396475636 563531102 /nfs/dbraw/zinc/53/11/02/563531102.db2.gz DZDCRUUTXUCPKC-SECBINFHSA-N 1 0 378.279 2.813 20 0 GFADRO COCC1(C)C[NH+](C[C@@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000432734853 563591573 /nfs/dbraw/zinc/59/15/73/563591573.db2.gz YDUVDAGSEMAGBI-GFCCVEGCSA-N 1 0 378.694 2.811 20 0 GFADRO C[NH+](C)Cc1ccccc1CNS(=O)(=O)c1cccc(Br)c1 ZINC000015360877 551111340 /nfs/dbraw/zinc/11/13/40/551111340.db2.gz BRKJWKHNXINRKT-UHFFFAOYSA-N 1 0 383.311 2.989 20 0 GFADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)COc2cc(Cl)ccc2Cl)C1 ZINC000018356522 551114058 /nfs/dbraw/zinc/11/40/58/551114058.db2.gz COSLGYIOHMNZKH-AWEZNQCLSA-N 1 0 375.296 2.845 20 0 GFADRO C[N@H+](CCOc1ccc(S(N)(=O)=O)cc1)Cc1ccc(Br)cc1 ZINC000027350151 551122689 /nfs/dbraw/zinc/12/26/89/551122689.db2.gz LFGZVIRDOXOXEX-UHFFFAOYSA-N 1 0 399.310 2.607 20 0 GFADRO CC[NH+]1CCC(N(C)S(=O)(=O)c2cc(Br)ccc2OC)CC1 ZINC000029455329 551126579 /nfs/dbraw/zinc/12/65/79/551126579.db2.gz WGBYRPWSVQRQKY-UHFFFAOYSA-N 1 0 391.331 2.563 20 0 GFADRO CC[NH+]1CCN(CC(=O)N2CCc3sccc3[C@@H]2c2cccs2)CC1 ZINC000029596896 551126756 /nfs/dbraw/zinc/12/67/56/551126756.db2.gz MYDQOZXORSRIGR-LJQANCHMSA-N 1 0 375.563 2.921 20 0 GFADRO C[NH+](C)C1(CNS(=O)(=O)c2cccc(Br)c2)CCCCC1 ZINC000040413464 551134200 /nfs/dbraw/zinc/13/42/00/551134200.db2.gz WOGCCUPCDIWRMQ-UHFFFAOYSA-N 1 0 375.332 2.992 20 0 GFADRO COc1ccc(C(=O)N2CCC[N@H+](C[C@H]3CCCO3)CC2)cc1Br ZINC000043765856 551142653 /nfs/dbraw/zinc/14/26/53/551142653.db2.gz GLLHIDXXTJQYDG-OAHLLOKOSA-N 1 0 397.313 2.785 20 0 GFADRO C[C@@H](NC(=O)NCCCC[NH+]1CCOCC1)c1ccc(Br)cc1 ZINC000047909177 551154077 /nfs/dbraw/zinc/15/40/77/551154077.db2.gz QCRMVEYDKAZAKT-CQSZACIVSA-N 1 0 384.318 2.922 20 0 GFADRO O=C(NCCC[NH+]1CCCCCC1)C(=O)Nc1cccc(Br)c1 ZINC000048847702 551157661 /nfs/dbraw/zinc/15/76/61/551157661.db2.gz OHJMHUZEXNOMRX-UHFFFAOYSA-N 1 0 382.302 2.770 20 0 GFADRO CCCNC(=O)[C@@H]1CCC[N@H+](C[C@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000050993797 551161653 /nfs/dbraw/zinc/16/16/53/551161653.db2.gz PERHZZCXCCEERP-HIFRSBDPSA-N 1 0 389.323 2.971 20 0 GFADRO CCCCNC(=O)[C@@H]1CCC[N@H+](CC(=O)N(C)Cc2ccc(Cl)s2)C1 ZINC000051061072 551162364 /nfs/dbraw/zinc/16/23/64/551162364.db2.gz RTDWVUQDRSPZFW-CQSZACIVSA-N 1 0 385.961 2.988 20 0 GFADRO Cc1nc(SCC(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)n[nH]1 ZINC000053673862 551167398 /nfs/dbraw/zinc/16/73/98/551167398.db2.gz AEUBAPYQASCKRO-UHFFFAOYSA-N 1 0 379.917 2.639 20 0 GFADRO O=C(NCCCC[NH+]1CCOCC1)NCCOc1cccc(Cl)c1Cl ZINC000056908795 551178291 /nfs/dbraw/zinc/17/82/91/551178291.db2.gz DGDUGACNVQPUCO-UHFFFAOYSA-N 1 0 390.311 2.784 20 0 GFADRO O=C(CC[N@@H+](CCO)Cc1cc(Br)ccc1F)NC1CCCC1 ZINC000057842292 551182046 /nfs/dbraw/zinc/18/20/46/551182046.db2.gz IHWPNIKZOGSXPI-UHFFFAOYSA-N 1 0 387.293 2.831 20 0 GFADRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)CS(=O)(=O)c1ccc(Cl)cc1 ZINC000058296990 551183108 /nfs/dbraw/zinc/18/31/08/551183108.db2.gz QMOVGHOOYAIQBD-HNNXBMFYSA-N 1 0 386.945 2.885 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)c1[nH]nc(C2CC2)c1Br)Cc1ccccc1 ZINC000065105603 551185737 /nfs/dbraw/zinc/18/57/37/551185737.db2.gz VEQCHMYZGWXUDD-CQSZACIVSA-N 1 0 391.313 2.952 20 0 GFADRO CC[NH+](CC)CCNC(=O)NC[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000066341869 551186283 /nfs/dbraw/zinc/18/62/83/551186283.db2.gz KSSURWYBRDFWIO-OAHLLOKOSA-N 1 0 397.361 2.916 20 0 GFADRO Cn1cc(C[N@H+](C)CCCOc2cccc(I)c2)cn1 ZINC000066411426 551187401 /nfs/dbraw/zinc/18/74/01/551187401.db2.gz LQVZMVHLVBQWOS-UHFFFAOYSA-N 1 0 385.249 2.926 20 0 GFADRO COCCCNC(=O)C1CC[NH+](CCOc2ccccc2Br)CC1 ZINC000093546590 551195335 /nfs/dbraw/zinc/19/53/35/551195335.db2.gz CLGLCZNPBXXATK-UHFFFAOYSA-N 1 0 399.329 2.693 20 0 GFADRO CC[N@H+](CCNC(=O)[C@@H]1CCN(c2cc(Cl)ccc2Cl)C1=O)C1CC1 ZINC000104409431 551198567 /nfs/dbraw/zinc/19/85/67/551198567.db2.gz CKOKGYLJZDVPNP-AWEZNQCLSA-N 1 0 384.307 2.947 20 0 GFADRO O=C(c1ccccc1I)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000110317747 551203864 /nfs/dbraw/zinc/20/38/64/551203864.db2.gz JVEKORUJDXKYMZ-CYBMUJFWSA-N 1 0 384.261 2.992 20 0 GFADRO C[NH+](C)CCN1C[C@@H](C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1=O ZINC000114159590 551209403 /nfs/dbraw/zinc/20/94/03/551209403.db2.gz YKDSVQCZFIWYNZ-JTQLQIEISA-N 1 0 377.794 2.707 20 0 GFADRO Cc1ccc(C(=O)NC2CC[NH+](Cc3ccccn3)CC2)c(Br)n1 ZINC000120336859 551219459 /nfs/dbraw/zinc/21/94/59/551219459.db2.gz XBDCCGGAAUPUOS-UHFFFAOYSA-N 1 0 389.297 2.942 20 0 GFADRO CN(CC1CC[NH+](C)CC1)S(=O)(=O)Cc1ccc(Br)cc1 ZINC000120349215 551219915 /nfs/dbraw/zinc/21/99/15/551219915.db2.gz CTMBVQNHQNDTFN-UHFFFAOYSA-N 1 0 375.332 2.553 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000120354238 551219923 /nfs/dbraw/zinc/21/99/23/551219923.db2.gz RAIQOFLHCVPERJ-CJNGLKHVSA-N 1 0 394.313 2.639 20 0 GFADRO C[C@@H]1C[NH+](CCCCNC(=O)COc2ccccc2Br)C[C@@H](C)O1 ZINC000120921604 551222490 /nfs/dbraw/zinc/22/24/90/551222490.db2.gz QDKBVPJDPJWONK-HUUCEWRRSA-N 1 0 399.329 2.834 20 0 GFADRO CN(CCC[NH+](C)C)C(=O)C(=O)Nc1cc(Br)c(F)cc1Cl ZINC000120997794 551224851 /nfs/dbraw/zinc/22/48/51/551224851.db2.gz ZEWZIKAFCCGUFY-UHFFFAOYSA-N 1 0 394.672 2.590 20 0 GFADRO Cc1nn(C)c(Cl)c1C[NH2+]CCNC(=O)c1ccc(Br)cc1 ZINC000121145764 551228155 /nfs/dbraw/zinc/22/81/55/551228155.db2.gz MNRCPUXFMNHHPV-UHFFFAOYSA-N 1 0 385.693 2.664 20 0 GFADRO Cn1cc(Br)cc1C(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000121228484 551230172 /nfs/dbraw/zinc/23/01/72/551230172.db2.gz UAPIJVSHAWIPEI-UHFFFAOYSA-N 1 0 380.286 2.658 20 0 GFADRO CC(C)(Cc1ccc(Br)cc1)[NH2+]C[C@H](O)COC[C@@H]1CCCO1 ZINC000121350008 551232790 /nfs/dbraw/zinc/23/27/90/551232790.db2.gz JLXIRRBTLKCRBR-IRXDYDNUSA-N 1 0 386.330 2.916 20 0 GFADRO O=C(C1CC1)N1CCC[N@@H+](C[C@@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000121415929 551234156 /nfs/dbraw/zinc/23/41/56/551234156.db2.gz RUDVADGCBWCMRJ-CQSZACIVSA-N 1 0 387.307 2.677 20 0 GFADRO COc1cc(CNC[C@H]2C[NH2+]CCCO2)cc(Br)c1OC(F)F ZINC000415048795 563756867 /nfs/dbraw/zinc/75/68/67/563756867.db2.gz XJLQDKSLBOJMGW-LLVKDONJSA-N 1 0 395.244 2.527 20 0 GFADRO C[N@H+](Cc1cc(-c2ccc(Cl)cc2)no1)C1CCN(S(C)(=O)=O)CC1 ZINC000121723447 551240781 /nfs/dbraw/zinc/24/07/81/551240781.db2.gz NPCCNVGQBQBMOV-UHFFFAOYSA-N 1 0 383.901 2.851 20 0 GFADRO CCC[C@H]1CN(C[C@H](O)c2ccccc2Br)CC[N@@H+]1CCOC ZINC000121869077 551244526 /nfs/dbraw/zinc/24/45/26/551244526.db2.gz XDZKTGNEDQUTDT-YJBOKZPZSA-N 1 0 385.346 2.915 20 0 GFADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)c2cc(F)cc(Br)c2)CC1 ZINC000122249783 551296229 /nfs/dbraw/zinc/29/62/29/551296229.db2.gz IABLRHCBFQYRMW-ZDUSSCGKSA-N 1 0 386.309 2.592 20 0 GFADRO C[C@@H](Cc1ccc(Br)cc1)C(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000123170856 551304121 /nfs/dbraw/zinc/30/41/21/551304121.db2.gz QRAKZOIZIXFRNM-INIZCTEOSA-N 1 0 396.373 2.772 20 0 GFADRO CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C)[C@@H]2C[NH3+])cc1Br ZINC000124398282 551314275 /nfs/dbraw/zinc/31/42/75/551314275.db2.gz BBZQNFQDSZMHHC-RISCZKNCSA-N 1 0 391.331 2.596 20 0 GFADRO C[C@H]1CCC[C@](CNC(=O)CCn2cc(Br)ccc2=O)([NH+](C)C)C1 ZINC000124490342 551315207 /nfs/dbraw/zinc/31/52/07/551315207.db2.gz SVOCDHIIBOKFLJ-KSSFIOAISA-N 1 0 398.345 2.628 20 0 GFADRO O=C1C[C@@H]([C@@H]2CCCC[N@H+]2Cc2ccc(I)cc2)CN1 ZINC000125192209 551320258 /nfs/dbraw/zinc/32/02/58/551320258.db2.gz JUDWHJPFJCCJLM-HIFRSBDPSA-N 1 0 384.261 2.782 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)c1ccc(S(=O)(=O)c2ccccc2)s1)C1CC1 ZINC000125252852 551320860 /nfs/dbraw/zinc/32/08/60/551320860.db2.gz RXYYNEFBQWSQTP-HNNXBMFYSA-N 1 0 378.519 2.651 20 0 GFADRO CC[N@H+](CC(=O)Nc1cc(Br)ccc1N1CCOCC1)C1CC1 ZINC000126104857 551325697 /nfs/dbraw/zinc/32/56/97/551325697.db2.gz VMMNUTMENHNIEG-UHFFFAOYSA-N 1 0 382.302 2.709 20 0 GFADRO COCCN(c1ccncc1)S(=O)(=O)c1ccccc1OC(F)(F)F ZINC000127467280 551340874 /nfs/dbraw/zinc/34/08/74/551340874.db2.gz UTYIHFKVNBPQKL-UHFFFAOYSA-N 1 0 376.356 2.822 20 0 GFADRO Cc1ccc(S(=O)(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)cc1Cl ZINC000127450300 551340938 /nfs/dbraw/zinc/34/09/38/551340938.db2.gz ZICCWNARRAJDLN-ROUUACIJSA-N 1 0 386.945 2.695 20 0 GFADRO CCc1ncsc1NC(=O)C(=O)NC[C@@H](c1ccsc1)[NH+](CC)CC ZINC000127681494 551343149 /nfs/dbraw/zinc/34/31/49/551343149.db2.gz JORKTTUVMCXFEU-AWEZNQCLSA-N 1 0 380.539 2.905 20 0 GFADRO C[C@H]([NH2+]C[C@H]1CCN(S(C)(=O)=O)C1)c1ccc(Br)cc1F ZINC000128190631 551347369 /nfs/dbraw/zinc/34/73/69/551347369.db2.gz VVNSNNKHGHTYRE-WDEREUQCSA-N 1 0 379.295 2.520 20 0 GFADRO NC(=O)COc1cccc(C[NH2+][C@@H]2CCOc3c(Br)cccc32)c1 ZINC000128765451 551352395 /nfs/dbraw/zinc/35/23/95/551352395.db2.gz OQYIDZIMDBYGQI-MRXNPFEDSA-N 1 0 391.265 2.927 20 0 GFADRO CC[N@H+](CCOc1ccc(Br)cc1)Cc1cc(=O)n2nccc2[nH]1 ZINC000129725854 551359312 /nfs/dbraw/zinc/35/93/12/551359312.db2.gz WOOJZJLRFVSEMT-UHFFFAOYSA-N 1 0 391.269 2.686 20 0 GFADRO C[NH+](C)CCOc1cc(CNC(=O)Nc2cccnc2Br)ccn1 ZINC000130089863 551361608 /nfs/dbraw/zinc/36/16/08/551361608.db2.gz AMXZLEMUVOJRCF-UHFFFAOYSA-N 1 0 394.273 2.501 20 0 GFADRO C[C@@H]([NH2+]C1CCN(S(=O)(=O)c2cnn(C)c2)CC1)c1ccc(Cl)s1 ZINC000130320914 551363296 /nfs/dbraw/zinc/36/32/96/551363296.db2.gz IHPXGOSKNJATBC-LLVKDONJSA-N 1 0 388.946 2.639 20 0 GFADRO NC(=O)[C@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000130616571 551367456 /nfs/dbraw/zinc/36/74/56/551367456.db2.gz MKNRGKKEGBOJAX-JQWIXIFHSA-N 1 0 375.803 2.514 20 0 GFADRO O=C(CCC[S@@](=O)c1ccc(Br)cc1)NC[C@@H]1CCCC[NH2+]1 ZINC000130738699 551368987 /nfs/dbraw/zinc/36/89/87/551368987.db2.gz WNANXMVAGMMAKZ-FPTDNZKUSA-N 1 0 387.343 2.595 20 0 GFADRO COc1ccc(C[NH2+]C[C@@H](O)COc2ccccc2Br)c(OC)c1 ZINC000131051150 551371274 /nfs/dbraw/zinc/37/12/74/551371274.db2.gz GBJZFRRKEZXPJU-CQSZACIVSA-N 1 0 396.281 2.996 20 0 GFADRO C[C@@H]1CCC[N@H+](CCCCNC(=O)Nc2cc(Br)c(=O)n(C)c2)C1 ZINC000136666689 551389646 /nfs/dbraw/zinc/38/96/46/551389646.db2.gz UGEVWSOYBRYLDR-CYBMUJFWSA-N 1 0 399.333 2.781 20 0 GFADRO O=C(C[C@H]1Sc2ccc(Cl)cc2NC1=O)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000141903250 551395006 /nfs/dbraw/zinc/39/50/06/551395006.db2.gz CYICKUYTFWUJSF-CZUORRHYSA-N 1 0 379.913 2.840 20 0 GFADRO C[C@@H](CNC(=O)CNC(=O)c1ccc(Cl)cc1Cl)[N@@H+]1CCC[C@@H](C)C1 ZINC000148579276 551398455 /nfs/dbraw/zinc/39/84/55/551398455.db2.gz VTOQJRSYXWCXQJ-OLZOCXBDSA-N 1 0 386.323 2.960 20 0 GFADRO CS(=O)(=O)Nc1cc(C(=O)NCCC[NH+]2CCCCCC2)ccc1Cl ZINC000149584239 551398788 /nfs/dbraw/zinc/39/87/88/551398788.db2.gz CWFBALJKPJWPMI-UHFFFAOYSA-N 1 0 387.933 2.707 20 0 GFADRO COc1cc(C(=O)N2CCC[N@@H+](C3CC3)CC2)cc(OC)c1Br ZINC000149114372 551398861 /nfs/dbraw/zinc/39/88/61/551398861.db2.gz BIVWVDJMOFFFRE-UHFFFAOYSA-N 1 0 383.286 2.777 20 0 GFADRO Cc1sc(Br)cc1S(=O)(=O)NCC1([NH+](C)C)CCCC1 ZINC000149745760 551399328 /nfs/dbraw/zinc/39/93/28/551399328.db2.gz JFQDNZDCCWAVFD-UHFFFAOYSA-N 1 0 381.361 2.972 20 0 GFADRO Cn1c2ccc(C(F)(F)F)cc2nc1C[NH2+]C(C)(C)CCS(C)(=O)=O ZINC000150867397 551403091 /nfs/dbraw/zinc/40/30/91/551403091.db2.gz SEALDWZUJOWOOA-UHFFFAOYSA-N 1 0 377.432 2.895 20 0 GFADRO CN(Cc1cc(Br)cn1C)C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000150886053 551403262 /nfs/dbraw/zinc/40/32/62/551403262.db2.gz HFFPBFNNHNKMSV-CQSZACIVSA-N 1 0 383.334 2.946 20 0 GFADRO C[NH+](C)Cc1cccc(CNC(=O)c2cc(S(C)(=O)=O)ccc2Cl)c1 ZINC000151045143 551406166 /nfs/dbraw/zinc/40/61/66/551406166.db2.gz NGUPEXFWWMDZIY-UHFFFAOYSA-N 1 0 380.897 2.735 20 0 GFADRO C[NH+](C)CCOc1ccccc1CNC(=O)c1ccncc1Br ZINC000151088604 551406851 /nfs/dbraw/zinc/40/68/51/551406851.db2.gz WOQNYGLBRXKVIP-UHFFFAOYSA-N 1 0 378.270 2.715 20 0 GFADRO CC[N@@H+]1CCC[C@@H](CNC(=O)Cc2cccc(I)c2)C1 ZINC000151281374 551410926 /nfs/dbraw/zinc/41/09/26/551410926.db2.gz URHADFGYIGXGJX-AWEZNQCLSA-N 1 0 386.277 2.682 20 0 GFADRO C[C@@H](Cn1cc(Br)cn1)[NH2+]Cc1ccccc1CN1CCCC1=O ZINC000151417230 551413256 /nfs/dbraw/zinc/41/32/56/551413256.db2.gz BQKXMBNYXJXCPZ-AWEZNQCLSA-N 1 0 391.313 2.946 20 0 GFADRO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)NC1CC[NH+](C)CC1 ZINC000151572843 551416246 /nfs/dbraw/zinc/41/62/46/551416246.db2.gz UUCVZCRTKZAJBM-UHFFFAOYSA-N 1 0 379.254 2.688 20 0 GFADRO C[C@@H](Cn1cc(Br)cn1)[NH2+]CCNc1nccc(C(F)(F)F)n1 ZINC000151768803 551421024 /nfs/dbraw/zinc/42/10/24/551421024.db2.gz RSWBUSCCBXTXKE-VIFPVBQESA-N 1 0 393.211 2.545 20 0 GFADRO CC[C@H](C)[N@H+](C)CCNC(=O)c1ccc(OC)c(I)c1 ZINC000151799617 551421420 /nfs/dbraw/zinc/42/14/20/551421420.db2.gz YWFRTKCIAFQDKX-NSHDSACASA-N 1 0 390.265 2.760 20 0 GFADRO CN(CC[NH+]1CCCC1)C(=O)c1ccc(F)c(I)c1 ZINC000152352822 551431460 /nfs/dbraw/zinc/43/14/60/551431460.db2.gz OVTOYOGLDQYLCX-UHFFFAOYSA-N 1 0 376.213 2.598 20 0 GFADRO C[C@H](NC(=O)Cc1ccccc1I)C(C)(C)C[NH+](C)C ZINC000152471059 551433866 /nfs/dbraw/zinc/43/38/66/551433866.db2.gz SXTGNUAZNMPLSF-LBPRGKRZSA-N 1 0 388.293 2.926 20 0 GFADRO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)CN(CCCCO)C1CC1 ZINC000152564020 551435464 /nfs/dbraw/zinc/43/54/64/551435464.db2.gz SDYJGBJRUIGJAM-UHFFFAOYSA-N 1 0 389.279 2.955 20 0 GFADRO C[C@@H]1CCC[N@@H+]1C1CCN(C(=O)c2cncc(I)c2)CC1 ZINC000152570437 551435750 /nfs/dbraw/zinc/43/57/50/551435750.db2.gz PSMUWEQGRMAJIT-GFCCVEGCSA-N 1 0 399.276 2.775 20 0 GFADRO C[C@H](CNC(=O)C(=O)Nc1ccc(Br)c(Cl)c1)[N@H+](C)C1CC1 ZINC000153277036 551449711 /nfs/dbraw/zinc/44/97/11/551449711.db2.gz BMBUQDRNLLYLAP-SECBINFHSA-N 1 0 388.693 2.640 20 0 GFADRO C[C@H](C[NH2+][C@H](C)c1ccc(I)cc1)CN1CCOCC1 ZINC000153310278 551450123 /nfs/dbraw/zinc/45/01/23/551450123.db2.gz PZTXFEYCWFJPNG-ZIAGYGMSSA-N 1 0 388.293 2.910 20 0 GFADRO Cc1c(C(=O)NCCc2cc(Cl)cc(Cl)c2)nnn1C1CC[NH2+]CC1 ZINC000153371782 551451096 /nfs/dbraw/zinc/45/10/96/551451096.db2.gz RGKCRMKYCKWSGP-UHFFFAOYSA-N 1 0 382.295 2.790 20 0 GFADRO CSCC[C@@H](NC(=O)c1ccccc1Cl)C(=O)NCC[NH2+]C(C)(C)C ZINC000153827032 551461514 /nfs/dbraw/zinc/46/15/14/551461514.db2.gz ZGOACLZWOXWTFI-OAHLLOKOSA-N 1 0 385.961 2.696 20 0 GFADRO CN(C(=O)c1cnc(Sc2nccn2C)c(Cl)c1)[C@@H]1CCC[N@H+](C)C1 ZINC000153852802 551461535 /nfs/dbraw/zinc/46/15/35/551461535.db2.gz OCBDGSCPSSEPJP-CYBMUJFWSA-N 1 0 379.917 2.786 20 0 GFADRO CC(C)(C)[NH2+]CCNC(=O)CCC[S@@](=O)c1ccc(Br)cc1 ZINC000153864597 551462006 /nfs/dbraw/zinc/46/20/06/551462006.db2.gz TYRUUIYKOVYUDN-QFIPXVFZSA-N 1 0 389.359 2.841 20 0 GFADRO CC[NH+]1CCN([C@H]2CCN(Cc3cc(Br)cc4c3OCC4)C2)CC1 ZINC000153856414 551462086 /nfs/dbraw/zinc/46/20/86/551462086.db2.gz NPYSEBQYHXMSAM-SFHVURJKSA-N 1 0 394.357 2.596 20 0 GFADRO C[C@H]1C[C@@H]([NH3+])CCN1C(=O)c1ccc(I)c(Cl)c1 ZINC000154117207 551468059 /nfs/dbraw/zinc/46/80/59/551468059.db2.gz GICJISNBGLVRLM-WPRPVWTQSA-N 1 0 378.641 2.896 20 0 GFADRO Cc1cc(C(=O)NC2(C[NH3+])CCCC2)nn1-c1ccc(Br)cc1 ZINC000154377489 551473898 /nfs/dbraw/zinc/47/38/98/551473898.db2.gz JTNMCEJIJKCUDK-UHFFFAOYSA-N 1 0 377.286 2.945 20 0 GFADRO C[N@H+](CC(=O)NCC1(c2cccc(Cl)c2)CCOCC1)[C@@H]1CCSC1 ZINC000154864707 551484789 /nfs/dbraw/zinc/48/47/89/551484789.db2.gz UVAYGCSKGZHGAZ-QGZVFWFLSA-N 1 0 382.957 2.942 20 0 GFADRO C[C@@H]1CN(C(=O)c2ccc(NC(=O)c3ccc(Br)o3)cc2)CC[NH2+]1 ZINC000155038776 551489643 /nfs/dbraw/zinc/48/96/43/551489643.db2.gz RRCMIAAOCOKGIE-LLVKDONJSA-N 1 0 392.253 2.728 20 0 GFADRO CCC[NH+]1CCC(NS(=O)(=O)c2cccc(C)c2Br)CC1 ZINC000155148982 551492546 /nfs/dbraw/zinc/49/25/46/551492546.db2.gz AMQMMCRJEPUJQR-UHFFFAOYSA-N 1 0 375.332 2.910 20 0 GFADRO C[NH+](C)CCOc1cc(C(=O)N2CCc3ccc(Br)cc32)ccn1 ZINC000155155749 551493051 /nfs/dbraw/zinc/49/30/51/551493051.db2.gz QBEQAQDBEIVNQQ-UHFFFAOYSA-N 1 0 390.281 2.987 20 0 GFADRO C[C@@H](CC(=O)N(C)C)[NH2+]CC1(c2ccc(Br)cc2)CCOCC1 ZINC000155259130 551495672 /nfs/dbraw/zinc/49/56/72/551495672.db2.gz LSYISDIOSCNRRU-AWEZNQCLSA-N 1 0 383.330 2.954 20 0 GFADRO C[C@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1cc(F)ccc1Br ZINC000155340417 551497480 /nfs/dbraw/zinc/49/74/80/551497480.db2.gz BCJNUGKEXMRRFV-NSHDSACASA-N 1 0 379.295 2.741 20 0 GFADRO O=C(NC[C@@H](O)c1c(Cl)cccc1Cl)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC000155497188 551500972 /nfs/dbraw/zinc/50/09/72/551500972.db2.gz OGKOPHAXBWKYBM-HZPDHXFCSA-N 1 0 387.307 2.786 20 0 GFADRO CC[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2cc(F)ccc2Br)C1 ZINC000155785627 551507488 /nfs/dbraw/zinc/50/74/88/551507488.db2.gz LMQHWIARRWTJKQ-NSHDSACASA-N 1 0 379.295 2.598 20 0 GFADRO COCC1(CNC(=O)Nc2c(F)cc(Br)cc2F)CC[NH2+]CC1 ZINC000415214188 563762391 /nfs/dbraw/zinc/76/23/91/563762391.db2.gz OXYMACATHHKNEK-UHFFFAOYSA-N 1 0 392.244 2.865 20 0 GFADRO O=C(NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1cc(Cl)ncc1Cl ZINC000156141217 551515619 /nfs/dbraw/zinc/51/56/19/551515619.db2.gz NTBLOLSXDKRZKQ-CQSZACIVSA-N 1 0 380.275 2.537 20 0 GFADRO C[C@H]1C[C@H]([NH2+]CCCNC(=O)c2ccc(Br)cc2)CN1C1CC1 ZINC000156416246 551522525 /nfs/dbraw/zinc/52/25/25/551522525.db2.gz IDQJBTKFUGLWEC-BBRMVZONSA-N 1 0 380.330 2.784 20 0 GFADRO CC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2cccc(C)c2Br)C1 ZINC000156470651 551523637 /nfs/dbraw/zinc/52/36/37/551523637.db2.gz RPDOWVAFVZFDNA-ZDUSSCGKSA-N 1 0 375.332 2.720 20 0 GFADRO CC(=O)N1CC[C@@H](C[N@@H+](C)[C@@H](C)C(=O)Nc2ccc(Br)cc2)C1 ZINC000156507217 551523910 /nfs/dbraw/zinc/52/39/10/551523910.db2.gz ZDGWLKDCOSITEE-JSGCOSHPSA-N 1 0 382.302 2.576 20 0 GFADRO CC(=O)N1CC[C@@H](C[N@@H+](C)CC(=O)N[C@H](C)c2ccc(Cl)cc2Cl)C1 ZINC000156622543 551526022 /nfs/dbraw/zinc/52/60/22/551526022.db2.gz VBBQQOVYJUUOCH-OCCSQVGLSA-N 1 0 386.323 2.971 20 0 GFADRO C[C@@H]1CCCN(C(=O)c2cc(=O)[nH]c3ccc(Br)cc32)[C@H]1C[NH3+] ZINC000156783302 551527940 /nfs/dbraw/zinc/52/79/40/551527940.db2.gz PVNZIKXLALOQFV-BMIGLBTASA-N 1 0 378.270 2.902 20 0 GFADRO O=C(Nc1ccc(Br)cc1)C1CCN(C(=O)[C@@H]2CCC[NH2+]C2)CC1 ZINC000157052758 551532659 /nfs/dbraw/zinc/53/26/59/551532659.db2.gz ZTVARPZEQLSSSS-CQSZACIVSA-N 1 0 394.313 2.626 20 0 GFADRO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NCCNc1ncc(Cl)cc1Cl ZINC000157281512 551536017 /nfs/dbraw/zinc/53/60/17/551536017.db2.gz TUDKGTVWAPKVHD-OAHLLOKOSA-N 1 0 389.327 2.710 20 0 GFADRO Cc1cc(C(=O)N(C)CCCN2CC[NH+](C)CC2)c(C)cc1Br ZINC000157404024 551537682 /nfs/dbraw/zinc/53/76/82/551537682.db2.gz MPGXVLVEWLQBJF-UHFFFAOYSA-N 1 0 382.346 2.775 20 0 GFADRO NC(=O)[C@H](c1ccc(Br)cc1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157491506 551538783 /nfs/dbraw/zinc/53/87/83/551538783.db2.gz ODZJDYDGPNFETR-IRXDYDNUSA-N 1 0 380.330 2.926 20 0 GFADRO O=C(c1cc(=O)[nH]c2ccc(Br)cc21)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000158565239 551553936 /nfs/dbraw/zinc/55/39/36/551553936.db2.gz SZXHHUJYGAGLIU-KRWDZBQOSA-N 1 0 376.254 2.529 20 0 GFADRO COC(=O)c1cc(Cl)ccc1S(=O)(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000158739273 551556295 /nfs/dbraw/zinc/55/62/95/551556295.db2.gz FNUUFOFNWADCFD-UHFFFAOYSA-N 1 0 388.917 2.668 20 0 GFADRO C[C@@H]([NH2+]C[C@H](O)COc1ccc(I)cc1)c1ccccn1 ZINC000158967759 551559163 /nfs/dbraw/zinc/55/91/63/551559163.db2.gz PEDPPCOIACBYKL-OCCSQVGLSA-N 1 0 398.244 2.777 20 0 GFADRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)CCNC(=O)Nc1ccc(Br)cc1 ZINC000162084318 551602892 /nfs/dbraw/zinc/60/28/92/551602892.db2.gz CQTBGZQOGDLQEJ-HNNXBMFYSA-N 1 0 399.333 2.793 20 0 GFADRO Cc1cc(C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)nn1-c1ccc(Br)cc1 ZINC000162086829 551602969 /nfs/dbraw/zinc/60/29/69/551602969.db2.gz HSWWOQWOUCPMRW-UONOGXRCSA-N 1 0 377.286 2.943 20 0 GFADRO CC(C)[C@H](CCO)[NH2+]Cc1nnnn1-c1ccc(Cl)cc1C(F)(F)F ZINC000162236230 551605312 /nfs/dbraw/zinc/60/53/12/551605312.db2.gz BPKQIPBXZPQOSL-LBPRGKRZSA-N 1 0 377.798 2.831 20 0 GFADRO NC(=O)[C@H]([NH2+][C@@H]1CCO[C@]2(CCSC2)C1)c1cccc(Br)c1 ZINC000162286936 551606719 /nfs/dbraw/zinc/60/67/19/551606719.db2.gz MQLRNFIHZCEQGY-IIAWOOMASA-N 1 0 385.327 2.620 20 0 GFADRO CC[C@](C)(COc1ncccc1Cl)[NH2+]Cc1csc(CC(=O)NC)n1 ZINC000162503551 551609070 /nfs/dbraw/zinc/60/90/70/551609070.db2.gz ZTQLTUMBJSAWOW-QGZVFWFLSA-N 1 0 382.917 2.817 20 0 GFADRO C[C@@H](CC(=O)Nc1cccnc1Cl)[NH2+]C[C@H]1CCN(CC(F)(F)F)C1 ZINC000163089230 551616103 /nfs/dbraw/zinc/61/61/03/551616103.db2.gz UPMSHQBHKZEPAH-NWDGAFQWSA-N 1 0 378.826 2.926 20 0 GFADRO C[C@H]1CCN(S(=O)(=O)c2ccc(Br)cc2Cl)C[C@@H]1C[NH3+] ZINC000163765536 551621831 /nfs/dbraw/zinc/62/18/31/551621831.db2.gz ULAULKXVWMJREP-UWVGGRQHSA-N 1 0 381.723 2.708 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000163797135 551622381 /nfs/dbraw/zinc/62/23/81/551622381.db2.gz FDHUELXBPCZGHZ-GASCZTMLSA-N 1 0 389.297 2.910 20 0 GFADRO COCC[NH2+]CC(=O)Nc1ccc(Oc2cccc(Br)c2)nc1 ZINC000166922908 551632528 /nfs/dbraw/zinc/63/25/28/551632528.db2.gz NMRFGELXZODZMG-UHFFFAOYSA-N 1 0 380.242 2.811 20 0 GFADRO CC[C@H](c1ccc(Br)cc1)N1CCN(C(=O)[C@@H]2CC[NH2+]C2)CC1 ZINC000167616947 551633418 /nfs/dbraw/zinc/63/34/18/551633418.db2.gz VULWCCGIBVXDEO-NVXWUHKLSA-N 1 0 380.330 2.654 20 0 GFADRO CC(=O)NCCC[NH+]1CCC(C(=O)Nc2ccccc2Br)CC1 ZINC000171100825 551646637 /nfs/dbraw/zinc/64/66/37/551646637.db2.gz PFBDNNOOVVAQPH-UHFFFAOYSA-N 1 0 382.302 2.626 20 0 GFADRO CC(C)[N@H+](C)CCNC(=O)NC[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000171162287 551648385 /nfs/dbraw/zinc/64/83/85/551648385.db2.gz JBVUOPUZTVBDBE-HNNXBMFYSA-N 1 0 397.361 2.915 20 0 GFADRO CCC[N@H+](CCC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1Cl)C1CC1 ZINC000171681813 551661000 /nfs/dbraw/zinc/66/10/00/551661000.db2.gz RYMIVCYAJBXEMR-UHFFFAOYSA-N 1 0 387.933 2.793 20 0 GFADRO C[C@@H]1C[N@@H+](CCCNC(=O)c2[nH]nc3ccc(Br)cc32)C[C@H](C)O1 ZINC000171771778 551663404 /nfs/dbraw/zinc/66/34/04/551663404.db2.gz TXAAXSPIIWNLHF-TXEJJXNPSA-N 1 0 395.301 2.555 20 0 GFADRO C[C@H](CN1CCCC1=O)[NH2+]Cc1nc(-c2cccc(Br)c2)c[nH]1 ZINC000171785480 551664016 /nfs/dbraw/zinc/66/40/16/551664016.db2.gz NQOJDICJETZHLD-GFCCVEGCSA-N 1 0 377.286 2.940 20 0 GFADRO C[N@@H+]1CCC[C@H]1CNC(=O)CCC[S@@](=O)c1ccc(Br)cc1 ZINC000171866699 551665492 /nfs/dbraw/zinc/66/54/92/551665492.db2.gz ANZURWLIWUBGEY-RCDICMHDSA-N 1 0 387.343 2.547 20 0 GFADRO O=C(c1cc(=O)[nH]c2ccc(Br)cc21)N1CCC[N@@H+](C2CC2)CC1 ZINC000172344139 551677152 /nfs/dbraw/zinc/67/71/52/551677152.db2.gz JTUIDSKHGKDKEM-UHFFFAOYSA-N 1 0 390.281 2.601 20 0 GFADRO O=C(NCc1ccccc1Br)N1CC[NH+](CC2CCOCC2)CC1 ZINC000172456246 551679474 /nfs/dbraw/zinc/67/94/74/551679474.db2.gz HGZXABOGNCTGIU-UHFFFAOYSA-N 1 0 396.329 2.703 20 0 GFADRO O=C(NCCCC[N@H+]1CCC[C@H]1CO)Nc1ccc(Br)cc1F ZINC000172654132 551684390 /nfs/dbraw/zinc/68/43/90/551684390.db2.gz SDFVVVWVQSIXAE-ZDUSSCGKSA-N 1 0 388.281 2.947 20 0 GFADRO C[C@@H]1[C@@H](C)CCC[N@@H+]1CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000172860519 551688231 /nfs/dbraw/zinc/68/82/31/551688231.db2.gz KEDPYNXATUVBLF-QWHCGFSZSA-N 1 0 387.933 2.649 20 0 GFADRO O=C(N[C@@H](C[NH+]1CCCC1)c1ccccc1)c1c[nH]c(=O)c(Br)c1 ZINC000173043494 551693349 /nfs/dbraw/zinc/69/33/49/551693349.db2.gz UZCIZJLCXALOSS-INIZCTEOSA-N 1 0 390.281 2.704 20 0 GFADRO C[NH+]1CCC(NC(=O)NCCOc2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000173381917 552084622 /nfs/dbraw/zinc/08/46/22/552084622.db2.gz AQCNDBFGBDIPQG-UHFFFAOYSA-N 1 0 380.798 2.526 20 0 GFADRO C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)C(=O)Nc1cccc(Br)c1)C2 ZINC000173452544 552085549 /nfs/dbraw/zinc/08/55/49/552085549.db2.gz IIGDMFGWIGJSAD-GOOCMWNKSA-N 1 0 380.286 2.519 20 0 GFADRO CC[NH+](CC)C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(Br)c(C)c2)C1 ZINC000173607604 552089003 /nfs/dbraw/zinc/08/90/03/552089003.db2.gz UXYBMHACKXEAOA-AWEZNQCLSA-N 1 0 396.329 2.886 20 0 GFADRO COc1ccc([C@H](C)NC(=O)c2csc(CC[NH3+])n2)cc1Br ZINC000173662842 552090440 /nfs/dbraw/zinc/09/04/40/552090440.db2.gz CRXUFBXZAFARKA-VIFPVBQESA-N 1 0 384.299 2.906 20 0 GFADRO Cc1cc(N2CC[C@H]([NH2+][C@@H]3CCc4c3cccc4Br)C2=O)n(C)n1 ZINC000174049040 552097369 /nfs/dbraw/zinc/09/73/69/552097369.db2.gz DXQIPQVJRXJAHM-CVEARBPZSA-N 1 0 389.297 2.873 20 0 GFADRO COCCOC[C@H]1CC[N@H+](Cc2nnc(-c3ccc(Br)o3)o2)C1 ZINC000174102352 552098976 /nfs/dbraw/zinc/09/89/76/552098976.db2.gz JJIJPFFLAMPBNZ-NSHDSACASA-N 1 0 386.246 2.577 20 0 GFADRO CC[NH+](CC)[C@@H]1CCN(C(=O)CCNC(=O)c2ccc(Br)cc2)C1 ZINC000174172501 552101194 /nfs/dbraw/zinc/10/11/94/552101194.db2.gz PFQCDIBHNZOYLI-MRXNPFEDSA-N 1 0 396.329 2.512 20 0 GFADRO O=C(c1cc2c(cccc2Br)[nH]1)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000174191799 552101978 /nfs/dbraw/zinc/10/19/78/552101978.db2.gz XDBAURVOWXYTQQ-ZDUSSCGKSA-N 1 0 392.297 2.725 20 0 GFADRO CCC[N@H+](C)C[C@@H]1CCN([C@H](C(N)=O)c2ccc(Br)cc2F)C1 ZINC000174957378 552113247 /nfs/dbraw/zinc/11/32/47/552113247.db2.gz YGFMOALEKJJBAF-LRDDRELGSA-N 1 0 386.309 2.778 20 0 GFADRO CN(CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)Cc1nccs1 ZINC000175058913 552114721 /nfs/dbraw/zinc/11/47/21/552114721.db2.gz DKAXDPWPZCQKSW-UHFFFAOYSA-N 1 0 376.551 2.762 20 0 GFADRO CN(Cc1ccc([S@](C)=O)cc1)C(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000175545980 552124571 /nfs/dbraw/zinc/12/45/71/552124571.db2.gz ZMKZBVGCEZASEV-CPJLOUKISA-N 1 0 379.551 2.930 20 0 GFADRO CC[C@@H](O)C[NH+]1CCC(Oc2ccccc2I)CC1 ZINC000175792554 552129387 /nfs/dbraw/zinc/12/93/87/552129387.db2.gz HUBRXKIYAOOOCM-GFCCVEGCSA-N 1 0 375.250 2.905 20 0 GFADRO C[C@H](NC(=O)c1cc(=O)[nH]c2ccc(Br)cc21)C(C)(C)C[NH+](C)C ZINC000175810235 552129779 /nfs/dbraw/zinc/12/97/79/552129779.db2.gz GIAFFWDDAZDQFB-NSHDSACASA-N 1 0 394.313 2.997 20 0 GFADRO O=C(Nc1ccc(Br)c(F)c1)N1CC[NH+](C2CCOCC2)CC1 ZINC000175954993 552133072 /nfs/dbraw/zinc/13/30/72/552133072.db2.gz HQBQPOYEFMUMKU-UHFFFAOYSA-N 1 0 386.265 2.917 20 0 GFADRO CC[NH+](CC)CCNS(=O)(=O)c1cc(Cl)c(OC)cc1Br ZINC000176811720 552146186 /nfs/dbraw/zinc/14/61/86/552146186.db2.gz FCIXDCNWLGQMTP-UHFFFAOYSA-N 1 0 399.738 2.731 20 0 GFADRO CN(C)S(=O)(=O)c1ccc(OCC[N@@H+]2CCS[C@@H]3CCCC[C@@H]32)cc1 ZINC000177194145 552151102 /nfs/dbraw/zinc/15/11/02/552151102.db2.gz FAFLOPACUYNLHC-ZWKOTPCHSA-N 1 0 384.567 2.676 20 0 GFADRO Cn1cc(Br)cc(NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)c1=O ZINC000177975835 552162227 /nfs/dbraw/zinc/16/22/27/552162227.db2.gz XKAWSNZURXZMJB-UHFFFAOYSA-N 1 0 385.306 2.579 20 0 GFADRO C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CCCC(=O)NC1CC1 ZINC000178099882 552164119 /nfs/dbraw/zinc/16/41/19/552164119.db2.gz KIJRARXGHUIJDU-LBPRGKRZSA-N 1 0 382.302 2.815 20 0 GFADRO C[C@@H](C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccc(Br)s1 ZINC000178112629 552164212 /nfs/dbraw/zinc/16/42/12/552164212.db2.gz FQILTZHVARVKKH-OLZOCXBDSA-N 1 0 387.343 2.795 20 0 GFADRO C[C@@H](Oc1cc(Cl)cc(Cl)c1)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000178104602 552164229 /nfs/dbraw/zinc/16/42/29/552164229.db2.gz RSOPPJXXRUIONI-ZIAGYGMSSA-N 1 0 387.307 2.941 20 0 GFADRO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CCCC(=O)NC1CC1 ZINC000178102706 552164453 /nfs/dbraw/zinc/16/44/53/552164453.db2.gz BZDPSOFMSAHBEE-GFCCVEGCSA-N 1 0 382.302 2.815 20 0 GFADRO [NH3+]C[C@@H]1CCN(C(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)c(Cl)c3)C2)C1 ZINC000178577567 552172687 /nfs/dbraw/zinc/17/26/87/552172687.db2.gz PGLFRSYIJFXXPX-GXTWGEPZSA-N 1 0 384.307 2.653 20 0 GFADRO C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CCN1CCOCC1(C)C ZINC000178601131 552173232 /nfs/dbraw/zinc/17/32/32/552173232.db2.gz MMGSMWBVWXPBSF-AWEZNQCLSA-N 1 0 398.345 2.867 20 0 GFADRO O=C(NC[C@@H]1CCC[NH2+]1)[C@@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000178776369 552175033 /nfs/dbraw/zinc/17/50/33/552175033.db2.gz DNEHGTZFTAHQSH-KGLIPLIRSA-N 1 0 384.307 2.714 20 0 GFADRO C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)[C@@H]2CCC[NH2+]C2)CC1 ZINC000178821633 552176174 /nfs/dbraw/zinc/17/61/74/552176174.db2.gz KRFOJKFTGLMXIE-GOEBONIOSA-N 1 0 380.330 2.654 20 0 GFADRO C[C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000178828780 552176697 /nfs/dbraw/zinc/17/66/97/552176697.db2.gz WEGAXNARDTUFGT-ZIAGYGMSSA-N 1 0 386.323 2.975 20 0 GFADRO O=C(C[C@H]1CCC[NH2+]1)NC1CCN(Cc2ccc(Br)cc2)CC1 ZINC000178856594 552177245 /nfs/dbraw/zinc/17/72/45/552177245.db2.gz AIURATFLIGOFQV-QGZVFWFLSA-N 1 0 380.330 2.672 20 0 GFADRO O=C(NCC[C@@H]1CC[NH2+]C1)[C@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1 ZINC000178955960 552180358 /nfs/dbraw/zinc/18/03/58/552180358.db2.gz GGJWMRXEDFLRLO-BLLLJJGKSA-N 1 0 384.307 2.714 20 0 GFADRO CCCOc1c(Br)cc(C(=O)N2CC[C@H](C[NH2+]C)C2)cc1OC ZINC000178986854 552181434 /nfs/dbraw/zinc/18/14/34/552181434.db2.gz VOHSDCHHOFAEEL-GFCCVEGCSA-N 1 0 385.302 2.928 20 0 GFADRO Cc1ccc(NC(=O)C(=O)NCCCCCCC[NH+](C)C)c(Br)n1 ZINC000179578895 552197228 /nfs/dbraw/zinc/19/72/28/552197228.db2.gz UTVYAFUNTSODPP-UHFFFAOYSA-N 1 0 399.333 2.719 20 0 GFADRO C[C@](Cc1cccc(Br)c1)([NH2+]CC(=O)NC(N)=O)c1ccccc1 ZINC000179962752 552208246 /nfs/dbraw/zinc/20/82/46/552208246.db2.gz BFAWNLMFXZHHDT-GOSISDBHSA-N 1 0 390.281 2.692 20 0 GFADRO O=S(=O)(C1CC1)N1CCC([NH2+]Cc2ncc(-c3ccccc3)s2)CC1 ZINC000180152147 552214994 /nfs/dbraw/zinc/21/49/94/552214994.db2.gz LMSCKFXTHXIANO-UHFFFAOYSA-N 1 0 377.535 2.856 20 0 GFADRO CC[C@H]1CN(C(=O)c2c[nH]c3cccc(Br)c32)CC[N@@H+]1C[C@@H](C)O ZINC000180285825 552220861 /nfs/dbraw/zinc/22/08/61/552220861.db2.gz KBRPPBJAACDSLJ-OLZOCXBDSA-N 1 0 394.313 2.848 20 0 GFADRO CC(C)(COc1ncccc1Br)[NH2+]CC(=O)NCc1ccccc1 ZINC000180394361 552225218 /nfs/dbraw/zinc/22/52/18/552225218.db2.gz BOLCGBPECABLMQ-UHFFFAOYSA-N 1 0 392.297 2.908 20 0 GFADRO Cc1csc(=O)n1CC[NH2+]C(C)(C)COc1ncccc1Br ZINC000180395501 552225272 /nfs/dbraw/zinc/22/52/72/552225272.db2.gz BJHGWKHQDYLUOP-UHFFFAOYSA-N 1 0 386.315 2.823 20 0 GFADRO Cc1c([C@H](C)[NH2+]CCS(=O)(=O)NC(C)C)cnn1-c1cccc(Cl)c1 ZINC000180466413 552227014 /nfs/dbraw/zinc/22/70/14/552227014.db2.gz GBZVJPSUAWDMLJ-ZDUSSCGKSA-N 1 0 384.933 2.813 20 0 GFADRO Cc1nc(C(C)C)sc1[C@@H](C)[NH2+]CCS(=O)(=O)NC[C@@H]1CCCCO1 ZINC000180746097 552234635 /nfs/dbraw/zinc/23/46/35/552234635.db2.gz CCLVGFYCAPNPNN-HIFRSBDPSA-N 1 0 389.587 2.714 20 0 GFADRO C[C@@H](Cn1cc(Br)cn1)[NH2+][C@@H]1CCN(c2ccccc2F)C1=O ZINC000180771165 552235487 /nfs/dbraw/zinc/23/54/87/552235487.db2.gz LOEFGAAAVCLJCT-SMDDNHRTSA-N 1 0 381.249 2.568 20 0 GFADRO CCOC(=O)CNC(=O)C1CC[NH+](Cc2ccc(C)c(Br)c2)CC1 ZINC000180771048 552235566 /nfs/dbraw/zinc/23/55/66/552235566.db2.gz YARJEZIUYHQCNN-UHFFFAOYSA-N 1 0 397.313 2.649 20 0 GFADRO CC(C)N1CC[C@@H]([NH2+][C@@H](C)CC(=O)Nc2ccc(Br)cc2)C1=O ZINC000180905201 552239339 /nfs/dbraw/zinc/23/93/39/552239339.db2.gz SQLBHHKCJYCYPB-SWLSCSKDSA-N 1 0 382.302 2.765 20 0 GFADRO CSCC[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)NCCCC[NH3+] ZINC000181087435 552245981 /nfs/dbraw/zinc/24/59/81/552245981.db2.gz FVWDUEQKZAPANR-CQSZACIVSA-N 1 0 392.352 2.700 20 0 GFADRO COc1cc([C@H](C)[NH2+]Cc2ccc([S@](C)=O)cc2)ccc1S(C)(=O)=O ZINC000181250873 552251179 /nfs/dbraw/zinc/25/11/79/552251179.db2.gz ZSOKEJFQIXBHRG-RZFZLAGVSA-N 1 0 381.519 2.687 20 0 GFADRO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)NCC1(C)CC[NH2+]CC1 ZINC000181272849 552251688 /nfs/dbraw/zinc/25/16/88/552251688.db2.gz ULXBDJUKFWSHSE-UHFFFAOYSA-N 1 0 393.281 2.983 20 0 GFADRO COC(=O)CS(=O)(=O)Cc1ccc(C[NH2+][C@@H](C)c2sccc2C)cc1 ZINC000181317180 552253087 /nfs/dbraw/zinc/25/30/87/552253087.db2.gz YIKCMAYWADCOJC-AWEZNQCLSA-N 1 0 381.519 2.995 20 0 GFADRO Cc1nc(Br)ccc1NC(=O)NC[C@@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000181318851 552253114 /nfs/dbraw/zinc/25/31/14/552253114.db2.gz YSCGNXLNUFJPDN-HNNXBMFYSA-N 1 0 398.349 2.546 20 0 GFADRO C[NH+](C)CCC1CCN(S(=O)(=O)c2sccc2Br)CC1 ZINC000181386054 552255557 /nfs/dbraw/zinc/25/55/57/552255557.db2.gz LYPVRYVDBKTDJU-UHFFFAOYSA-N 1 0 381.361 2.863 20 0 GFADRO COCCC(=O)N1CCC([NH2+][C@@H](C)c2ncc(Br)s2)CC1 ZINC000181419376 552255906 /nfs/dbraw/zinc/25/59/06/552255906.db2.gz ZAOCLCLXPVLXAP-JTQLQIEISA-N 1 0 376.320 2.584 20 0 GFADRO C[C@H]1CCC[C@@H](CO)[N@@H+]1CC(=O)N(C)Cc1cc(Br)cs1 ZINC000181402169 552256108 /nfs/dbraw/zinc/25/61/08/552256108.db2.gz JWRZARNOUPUJSN-AAEUAGOBSA-N 1 0 375.332 2.704 20 0 GFADRO CC[NH+](CC)[C@@H](CNC(=O)C(=O)Nc1cccnc1Cl)c1ccsc1 ZINC000181443269 552257238 /nfs/dbraw/zinc/25/72/38/552257238.db2.gz VAORLCOFGOYUAP-AWEZNQCLSA-N 1 0 380.901 2.934 20 0 GFADRO CN(CCc1ccncc1)CC(=O)Nc1cccc(I)c1 ZINC000181483418 552257460 /nfs/dbraw/zinc/25/74/60/552257460.db2.gz OXCHYFLUUFROTF-UHFFFAOYSA-N 1 0 395.244 2.799 20 0 GFADRO COCCc1nc(C)c([C@@H](C)[NH2+][C@H]2CCCN(CC(F)(F)F)C2=O)s1 ZINC000181530116 552259514 /nfs/dbraw/zinc/25/95/14/552259514.db2.gz ODUPYRUZMQSZQY-PWSUYJOCSA-N 1 0 379.448 2.844 20 0 GFADRO C[C@H]([NH2+]C[C@@H](O)CS(=O)(=O)c1cccs1)c1ccc(OC(F)F)cc1 ZINC000181635229 552262917 /nfs/dbraw/zinc/26/29/17/552262917.db2.gz UPVHBWCLZFUMRC-WCQYABFASA-N 1 0 391.461 2.835 20 0 GFADRO C[C@@H]([NH2+]C[C@H](O)CS(=O)(=O)c1cccs1)c1ccccc1OC(F)F ZINC000181633964 552263232 /nfs/dbraw/zinc/26/32/32/552263232.db2.gz HMZMLQURLMYZGD-NEPJUHHUSA-N 1 0 391.461 2.835 20 0 GFADRO C[C@H]([NH2+]C[C@@H](O)CS(=O)(=O)c1cccs1)c1cccc(OC(F)F)c1 ZINC000181638173 552263732 /nfs/dbraw/zinc/26/37/32/552263732.db2.gz RSTXQVSTYSOCAQ-WCQYABFASA-N 1 0 391.461 2.835 20 0 GFADRO CC[C@@H]([NH2+]C[C@H]1CCN(S(C)(=O)=O)C1)c1cccc(Br)c1 ZINC000181683248 552265224 /nfs/dbraw/zinc/26/52/24/552265224.db2.gz LJFIRYPKXPYGAP-IUODEOHRSA-N 1 0 375.332 2.771 20 0 GFADRO COc1ccc([C@@H](C)[NH2+]CC2CCS(=O)(=O)CC2)cc1Br ZINC000181758693 552267148 /nfs/dbraw/zinc/26/71/48/552267148.db2.gz JPQKKLMUMLLRQS-LLVKDONJSA-N 1 0 376.316 2.933 20 0 GFADRO CS(=O)(=O)C[C@H](NCC(=O)Nc1cc(Cl)ccc1F)c1ccccc1 ZINC000181790246 552267574 /nfs/dbraw/zinc/26/75/74/552267574.db2.gz SNMZXLAQAYRMHI-INIZCTEOSA-N 1 0 384.860 2.793 20 0 GFADRO C[C@H]([NH2+][C@@H](CC(N)=O)C1CCOCC1)C(=O)Nc1ccc(Cl)cc1Cl ZINC000181961900 552271743 /nfs/dbraw/zinc/27/17/43/552271743.db2.gz BMHAXJOLJVOKBV-BONVTDFDSA-N 1 0 388.295 2.581 20 0 GFADRO C[C@H]([NH2+]CCOCCS(C)(=O)=O)c1cc2cc(Br)ccc2o1 ZINC000181991686 552272021 /nfs/dbraw/zinc/27/20/21/552272021.db2.gz BKOXUEIVCMVHSV-NSHDSACASA-N 1 0 390.299 2.907 20 0 GFADRO O=S(=O)(c1ccc(C(F)(F)F)nc1)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000181981529 552272318 /nfs/dbraw/zinc/27/23/18/552272318.db2.gz HQSAKKHQBYOVEI-ZDUSSCGKSA-N 1 0 377.432 2.739 20 0 GFADRO C[C@H](CCNC(=O)CNC(=O)c1cccc(Br)c1)[NH+]1CCCCC1 ZINC000182226062 552279099 /nfs/dbraw/zinc/27/90/99/552279099.db2.gz AOXLCWFBOFDDIJ-CQSZACIVSA-N 1 0 396.329 2.560 20 0 GFADRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)NCCNc2ncc(Cl)cc2Cl)C1 ZINC000182359030 552282177 /nfs/dbraw/zinc/28/21/77/552282177.db2.gz USZXFFYCXWKBTN-DOMZBBRYSA-N 1 0 386.327 2.926 20 0 GFADRO CN(CCCN1CC[NH+](C)CC1)C(=O)NCCc1c(Cl)cccc1Cl ZINC000182445537 552284451 /nfs/dbraw/zinc/28/44/51/552284451.db2.gz XGZCIIBAOUBJPO-UHFFFAOYSA-N 1 0 387.355 2.815 20 0 GFADRO CCOC(=O)C[C@H](C)[N@H+](C)CC(=O)N(C)Cc1cc(Br)cs1 ZINC000182673619 552290252 /nfs/dbraw/zinc/29/02/52/552290252.db2.gz RDHZPMBHCMZLNP-NSHDSACASA-N 1 0 391.331 2.743 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2ccc(OCC(F)F)cc2)[C@H](C)C1 ZINC000182699793 552290480 /nfs/dbraw/zinc/29/04/80/552290480.db2.gz RTGWHIDNHZVXRP-CZUORRHYSA-N 1 0 376.469 2.681 20 0 GFADRO Cc1cc([C@@H](C)[NH2+]CC(=O)Nc2cc(S(N)(=O)=O)ccc2C)c(C)s1 ZINC000182749193 552292378 /nfs/dbraw/zinc/29/23/78/552292378.db2.gz USFWWUNEEBPIJC-GFCCVEGCSA-N 1 0 381.523 2.610 20 0 GFADRO CCS(=O)(=O)C[C@@H](C)[NH2+][C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000182969067 552297344 /nfs/dbraw/zinc/29/73/44/552297344.db2.gz UWSUVRDRDWUYJU-CJNGLKHVSA-N 1 0 378.460 2.693 20 0 GFADRO C[C@@H](O)[C@@H]1CC[N@H+](CCCOc2cccc(I)c2)C1 ZINC000183178860 552302069 /nfs/dbraw/zinc/30/20/69/552302069.db2.gz USNVWPTZQRADRP-CHWSQXEVSA-N 1 0 375.250 2.763 20 0 GFADRO C[NH+](C)CCOc1cc(C(=O)NCCc2ccc(Br)cc2)ccn1 ZINC000183209864 552303059 /nfs/dbraw/zinc/30/30/59/552303059.db2.gz GSSKOIWRRAAKRI-UHFFFAOYSA-N 1 0 392.297 2.757 20 0 GFADRO CCOC(=O)c1c(C)c(C)sc1NC(=O)C[C@H](C)[NH2+][C@@H](C)C[S@](C)=O ZINC000183206424 552303208 /nfs/dbraw/zinc/30/32/08/552303208.db2.gz QRXXTPYOIWXDRH-YBCXYELXSA-N 1 0 388.555 2.615 20 0 GFADRO C[C@@H](CCNS(=O)(=O)c1cc2c(cc1Cl)OCCO2)[NH+]1CCCCC1 ZINC000183290049 552305135 /nfs/dbraw/zinc/30/51/35/552305135.db2.gz AEVJNTKBKKUOHL-ZDUSSCGKSA-N 1 0 388.917 2.654 20 0 GFADRO COc1ccc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)nc1Br ZINC000183298200 552305687 /nfs/dbraw/zinc/30/56/87/552305687.db2.gz NKZPCKJYPUOOTL-SWLSCSKDSA-N 1 0 394.313 2.942 20 0 GFADRO COc1cc(Br)c(CNC(=O)c2c[nH+]ccc2N(C)C)cc1OC ZINC000183555451 552312772 /nfs/dbraw/zinc/31/27/72/552312772.db2.gz KNTXSBSHDDOZJZ-UHFFFAOYSA-N 1 0 394.269 2.857 20 0 GFADRO COC(=O)[C@H](c1cccc(Cl)c1Cl)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000183601674 552314795 /nfs/dbraw/zinc/31/47/95/552314795.db2.gz DXMROAIUVOSPKQ-DYVFJYSZSA-N 1 0 387.307 2.862 20 0 GFADRO O=S(=O)(C[C@@H](O)C[NH2+]CC1CCC(C(F)(F)F)CC1)c1cccs1 ZINC000183751604 552318429 /nfs/dbraw/zinc/31/84/29/552318429.db2.gz PMNJIGAFENFXMV-BPCQOVAHSA-N 1 0 385.473 2.841 20 0 GFADRO C[C@@H](CC(=O)OC(C)(C)C)[NH2+]CCNC(=O)c1cccc(Br)c1 ZINC000183901629 552322035 /nfs/dbraw/zinc/32/20/35/552322035.db2.gz SCGYBDCIAVKRDY-LBPRGKRZSA-N 1 0 385.302 2.889 20 0 GFADRO C[NH+](C)C1CCN(CCNC(=O)c2cccc(Br)c2Cl)CC1 ZINC000184131533 552328248 /nfs/dbraw/zinc/32/82/48/552328248.db2.gz HHOUKVHEVNSTSW-UHFFFAOYSA-N 1 0 388.737 2.858 20 0 GFADRO Cc1cc(Br)ccc1CC(=O)NC(C)(C)CC[NH+]1CCN(C)CC1 ZINC000184202743 552328973 /nfs/dbraw/zinc/32/89/73/552328973.db2.gz WJBFEGSNXCBKSI-UHFFFAOYSA-N 1 0 396.373 2.832 20 0 GFADRO C[C@@H]([NH2+][C@@H](C)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)c1cc2ccccc2s1 ZINC000184351666 552333175 /nfs/dbraw/zinc/33/31/75/552333175.db2.gz HTJZIGFZDVNDLD-VNHYZAJKSA-N 1 0 380.535 2.586 20 0 GFADRO CN(C[C@@H]1CCC[N@H+](C)C1)S(=O)(=O)c1ccc(Br)cc1F ZINC000184733873 552343025 /nfs/dbraw/zinc/34/30/25/552343025.db2.gz CDOPRCMRROATFF-LLVKDONJSA-N 1 0 379.295 2.551 20 0 GFADRO Cc1cc(Br)c(F)cc1NC(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000184841359 552345757 /nfs/dbraw/zinc/34/57/57/552345757.db2.gz MVZARGKNWGTKQQ-UHFFFAOYSA-N 1 0 388.281 2.817 20 0 GFADRO Cc1ccc(CCC(=O)NCCCC[NH+]2CCOCC2)c(Br)c1 ZINC000185011423 552351224 /nfs/dbraw/zinc/35/12/24/552351224.db2.gz JMRRTAICDFVZBZ-UHFFFAOYSA-N 1 0 383.330 2.919 20 0 GFADRO CCOc1c(Br)cc(C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc1OC ZINC000185071992 552352992 /nfs/dbraw/zinc/35/29/92/552352992.db2.gz FZYQNBOTOADYPJ-SUHUHFCYSA-N 1 0 383.286 2.666 20 0 GFADRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)c3ccc(I)c(Cl)c3)C[C@@H]12 ZINC000185095628 552354112 /nfs/dbraw/zinc/35/41/12/552354112.db2.gz IUNBLQQAHKJOCR-GIPNMCIBSA-N 1 0 390.652 2.754 20 0 GFADRO C[C@@H]([NH2+]CC(=O)Nc1ccc(Br)cn1)[C@@H]1COc2ccccc21 ZINC000185645724 552368005 /nfs/dbraw/zinc/36/80/05/552368005.db2.gz SEMIJUOERUYLMF-RISCZKNCSA-N 1 0 376.254 2.937 20 0 GFADRO C[C@@H](C[NH+]1CCCCCC1)NC(=O)C(=O)Nc1cccc(Br)c1 ZINC000186666080 552394271 /nfs/dbraw/zinc/39/42/71/552394271.db2.gz MYXFSZPCJSJULS-ZDUSSCGKSA-N 1 0 382.302 2.768 20 0 GFADRO Cc1c(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)cnn1-c1ccc(Br)cc1 ZINC000186823759 552399076 /nfs/dbraw/zinc/39/90/76/552399076.db2.gz OOTNFGFUOADTQV-MEDUHNTESA-N 1 0 377.286 2.671 20 0 GFADRO CC[NH+]1CCN([C@H]2CCN(Cc3cccc(Br)c3OC)C2)CC1 ZINC000186937845 552401519 /nfs/dbraw/zinc/40/15/19/552401519.db2.gz IWTBQSMKQNCKCY-INIZCTEOSA-N 1 0 382.346 2.670 20 0 GFADRO C[C@@H]1CN(C(=O)Cc2csc(-c3ccccc3Cl)n2)CCN1CCO ZINC000187293175 552411693 /nfs/dbraw/zinc/41/16/93/552411693.db2.gz DPSRWNLZNMBZMM-CYBMUJFWSA-N 1 0 379.913 2.531 20 0 GFADRO COc1ccc(Br)cc1C[NH2+][C@@H](C)C1CCS(=O)(=O)CC1 ZINC000187322273 552412297 /nfs/dbraw/zinc/41/22/97/552412297.db2.gz XKCXZZCQASUUFR-NSHDSACASA-N 1 0 376.316 2.761 20 0 GFADRO CCO[C@@H]1C[C@@]([NH3+])(C(=O)NCCc2ccc(F)c(Br)c2)C1(C)C ZINC000187470749 552416578 /nfs/dbraw/zinc/41/65/78/552416578.db2.gz AXNZECGSNNXNNQ-RHSMWYFYSA-N 1 0 387.293 2.779 20 0 GFADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)c2c[nH]nc2-c2ccc(Cl)s2)C1 ZINC000187507217 552417321 /nfs/dbraw/zinc/41/73/21/552417321.db2.gz PLRRTTWHLSATDA-GFCCVEGCSA-N 1 0 382.917 2.878 20 0 GFADRO Cc1ccc(Br)cc1CNC(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000187564625 552418820 /nfs/dbraw/zinc/41/88/20/552418820.db2.gz MJXVUQLZLBINAT-AWEZNQCLSA-N 1 0 398.345 2.744 20 0 GFADRO COc1cc(Br)ccc1C[NH2+][C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000187574714 552419474 /nfs/dbraw/zinc/41/94/74/552419474.db2.gz PRYLENDTCUZTLW-NSHDSACASA-N 1 0 399.310 2.956 20 0 GFADRO CC[N@H+](C)C[C@H]1CCN(C(=O)NCc2ccc(Br)cc2OC)C1 ZINC000187850027 552426752 /nfs/dbraw/zinc/42/67/52/552426752.db2.gz CMEXIOWUGXGNIE-CYBMUJFWSA-N 1 0 384.318 2.941 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)NCC[N@H+]2CCC[C@@H](C)C2)cc1Br ZINC000188058468 552432702 /nfs/dbraw/zinc/43/27/02/552432702.db2.gz JHSWNUBDFRKBJD-GFCCVEGCSA-N 1 0 396.329 2.853 20 0 GFADRO Cc1cc(S(=O)(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)sc1Cl ZINC000188114887 552435518 /nfs/dbraw/zinc/43/55/18/552435518.db2.gz ICAMKYCVACQWSY-UONOGXRCSA-N 1 0 392.974 2.756 20 0 GFADRO CCC[N@H+](CC)CCNC(=O)C(=O)Nc1cc(Br)c(C)cc1C ZINC000188114880 552435768 /nfs/dbraw/zinc/43/57/68/552435768.db2.gz QGYBUMKNVJAUPO-UHFFFAOYSA-N 1 0 384.318 2.853 20 0 GFADRO O=C(Cc1ccc(F)cc1Br)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000188168294 552437442 /nfs/dbraw/zinc/43/74/42/552437442.db2.gz ZXIMOEJKKKHQAO-ZDUSSCGKSA-N 1 0 399.304 2.748 20 0 GFADRO NS(=O)(=O)CCC[NH2+][C@@H](CC1CC1)c1cc(F)cc(Br)c1 ZINC000188187251 552438584 /nfs/dbraw/zinc/43/85/84/552438584.db2.gz KPFLRPVELKCADE-AWEZNQCLSA-N 1 0 379.295 2.698 20 0 GFADRO CCN(CCC[NH+]1CCCC1)S(=O)(=O)c1cc2c(cc1Cl)OCCO2 ZINC000188260800 552440707 /nfs/dbraw/zinc/44/07/07/552440707.db2.gz VJUVXEGQYQGELE-UHFFFAOYSA-N 1 0 388.917 2.608 20 0 GFADRO CCN(CCC[NH+]1CCCC1)S(=O)(=O)c1ccc(C(=O)OC)cc1Cl ZINC000188256599 552440929 /nfs/dbraw/zinc/44/09/29/552440929.db2.gz BKPJCARCSGUFKY-UHFFFAOYSA-N 1 0 388.917 2.623 20 0 GFADRO C[C@@]1(c2ccccc2)CC[C@H]([NH2+]C[C@H](O)CS(=O)(=O)c2cccs2)C1 ZINC000188264904 552440933 /nfs/dbraw/zinc/44/09/33/552440933.db2.gz DZSPMKOVUBHYHZ-JENIJYKNSA-N 1 0 379.547 2.983 20 0 GFADRO O=C(NCC[N@@H+]1CCCOCC1)Nc1cc(F)c(Br)cc1F ZINC000188523735 552446989 /nfs/dbraw/zinc/44/69/89/552446989.db2.gz KSKAWFSZKNPMOU-UHFFFAOYSA-N 1 0 378.217 2.571 20 0 GFADRO C[NH+](C)CC(C)(C)CNCc1ccc(Br)cc1N1CCOCC1 ZINC000188686381 552452039 /nfs/dbraw/zinc/45/20/39/552452039.db2.gz VATMQZYEZVEJRN-UHFFFAOYSA-N 1 0 384.362 2.963 20 0 GFADRO O=C(NCc1ccc2c(c1)C[NH2+]C2)c1cc(=O)[nH]c2c(Br)cccc12 ZINC000188709178 552453503 /nfs/dbraw/zinc/45/35/03/552453503.db2.gz ZHWMWTKTLNQBAB-UHFFFAOYSA-N 1 0 398.260 2.824 20 0 GFADRO Brc1ccc(C[NH2+][C@H]2CCc3n[nH]cc3C2)c(N2CCOCC2)c1 ZINC000188740665 552453718 /nfs/dbraw/zinc/45/37/18/552453718.db2.gz BREZFUIUPVZOJV-INIZCTEOSA-N 1 0 391.313 2.656 20 0 GFADRO C[N@H+](C[C@H](O)COc1ccccc1C(F)(F)F)C[C@@H](O)CC(F)(F)F ZINC000189331661 552468627 /nfs/dbraw/zinc/46/86/27/552468627.db2.gz ZQIVRJUXPVFFBY-QWRGUYRKSA-N 1 0 375.309 2.690 20 0 GFADRO COc1cc(C[NH2+][C@@H]2C[C@@H](O)C2(C)C)cc(I)c1OC ZINC000189354044 552469087 /nfs/dbraw/zinc/46/90/87/552469087.db2.gz FUSPDDLMZHYQMA-CHWSQXEVSA-N 1 0 391.249 2.557 20 0 GFADRO CCN(CCC[NH+](C)C)C(=O)C(=O)Nc1ccc(Br)cc1Cl ZINC000189829877 552480628 /nfs/dbraw/zinc/48/06/28/552480628.db2.gz RWGNTRPQAJTIJW-UHFFFAOYSA-N 1 0 390.709 2.841 20 0 GFADRO Cc1cc(F)c(Br)cc1S(=O)(=O)N1CCC([NH+](C)C)CC1 ZINC000189842184 552480929 /nfs/dbraw/zinc/48/09/29/552480929.db2.gz FAAMFDXFPNHDOY-UHFFFAOYSA-N 1 0 379.295 2.611 20 0 GFADRO C[C@@H](CNC(=O)Nc1ccc(Cl)c(S(C)(=O)=O)c1)N1CCC(C)CC1 ZINC000189877980 552481782 /nfs/dbraw/zinc/48/17/82/552481782.db2.gz KQIOGNJDTDCPJM-ZDUSSCGKSA-N 1 0 387.933 2.985 20 0 GFADRO CS(=O)(=O)c1cc(NC(=O)N2CCC([NH+]3CC=CC3)CC2)ccc1Cl ZINC000189900708 552482370 /nfs/dbraw/zinc/48/23/70/552482370.db2.gz ADFLORIFQKYXJV-UHFFFAOYSA-N 1 0 383.901 2.612 20 0 GFADRO C[C@@H]1CC[N@H+](C[C@H](O)COc2ccc(Cl)cc2Br)[C@@H]1CO ZINC000190343436 552493362 /nfs/dbraw/zinc/49/33/62/552493362.db2.gz ZSWAGQHXUKHMSJ-SCDSUCTJSA-N 1 0 378.694 2.545 20 0 GFADRO CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2cc(Cl)c(F)c(Cl)c2)C1 ZINC000190408284 552495093 /nfs/dbraw/zinc/49/50/93/552495093.db2.gz PWPVNJAYMRHOJG-JTQLQIEISA-N 1 0 376.259 2.919 20 0 GFADRO CCN(CCC[NH+](C)C)C(=O)C(=O)Nc1cc(C)c(Br)c(C)c1 ZINC000190862847 552511773 /nfs/dbraw/zinc/51/17/73/552511773.db2.gz QVRIYWGYXUNZLE-UHFFFAOYSA-N 1 0 384.318 2.805 20 0 GFADRO C[C@H](C[NH+]1CCCCC1)NC(=O)Cc1ccc(I)cc1 ZINC000190883988 552512030 /nfs/dbraw/zinc/51/20/30/552512030.db2.gz AXTCQGBAVNBRAK-CYBMUJFWSA-N 1 0 386.277 2.824 20 0 GFADRO COc1cccc(C[NH2+]CCC(=O)N(C)Cc2ccccc2Br)n1 ZINC000190994287 552515767 /nfs/dbraw/zinc/51/57/67/552515767.db2.gz KVRJNTOFJMBHJN-UHFFFAOYSA-N 1 0 392.297 2.991 20 0 GFADRO C[NH+]1CCN(Cc2ccc(NC(=O)c3ccncc3)cc2Br)CC1 ZINC000191090546 552518506 /nfs/dbraw/zinc/51/85/06/552518506.db2.gz YPVPQGBXTOOOQB-UHFFFAOYSA-N 1 0 389.297 2.844 20 0 GFADRO C[N@H+](CCC1OCCO1)Cc1cccc(Br)c1OCC(C)(C)O ZINC000191347517 552525169 /nfs/dbraw/zinc/52/51/69/552525169.db2.gz MTOKFVNMHLUBPW-UHFFFAOYSA-N 1 0 388.302 2.794 20 0 GFADRO COC(=O)[C@@H](C)C[N@H+](C)Cc1ccc(Br)cc1N1CCOCC1 ZINC000191615634 552533745 /nfs/dbraw/zinc/53/37/45/552533745.db2.gz IJGWHCZQHVZXQL-ZDUSSCGKSA-N 1 0 385.302 2.527 20 0 GFADRO CC[NH+](CC)CCCNC(=O)C(=O)Nc1cccc(Cl)c1Br ZINC000191863588 552540304 /nfs/dbraw/zinc/54/03/04/552540304.db2.gz GTIIGLLBAUUHON-UHFFFAOYSA-N 1 0 390.709 2.889 20 0 GFADRO O=C(N1CC[C@H](C[NH+]2CCOCC2)C1)C1(c2ccccc2Br)CC1 ZINC000191880204 552541244 /nfs/dbraw/zinc/54/12/44/552541244.db2.gz SFWMZUZDQWFVOK-OAHLLOKOSA-N 1 0 393.325 2.661 20 0 GFADRO COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)NCC[NH+]1CCC(C)CC1 ZINC000191913289 552542100 /nfs/dbraw/zinc/54/21/00/552542100.db2.gz QEBITKVSJQMXMO-UHFFFAOYSA-N 1 0 388.295 2.789 20 0 GFADRO Cc1ccccc1C[NH+]1CCC(NC(=O)c2cc(Br)nn2C)CC1 ZINC000192079818 552549884 /nfs/dbraw/zinc/54/98/84/552549884.db2.gz VXXKOWVYNKTBEG-UHFFFAOYSA-N 1 0 391.313 2.885 20 0 GFADRO COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000192085675 552550430 /nfs/dbraw/zinc/55/04/30/552550430.db2.gz WCJZJGDWGSIVRY-QWRGUYRKSA-N 1 0 388.295 2.930 20 0 GFADRO COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)N1CCC([NH2+]C(C)C)CC1 ZINC000192117409 552551963 /nfs/dbraw/zinc/55/19/63/552551963.db2.gz PNDJZTUZYYWDQV-UHFFFAOYSA-N 1 0 388.295 2.930 20 0 GFADRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cc(Br)nn1C ZINC000192143075 552552789 /nfs/dbraw/zinc/55/27/89/552552789.db2.gz QGRPEZSTUFVKBE-OAHLLOKOSA-N 1 0 391.313 2.777 20 0 GFADRO COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000192169085 552554874 /nfs/dbraw/zinc/55/48/74/552554874.db2.gz LWWRAIOEISFNOE-NSHDSACASA-N 1 0 388.295 2.741 20 0 GFADRO C[C@@H]([NH3+])C1CCN(S(=O)(=O)c2ccc(Cl)c(Br)c2)CC1 ZINC000192389605 552561166 /nfs/dbraw/zinc/56/11/66/552561166.db2.gz DTPARVXQYFOAOK-SECBINFHSA-N 1 0 381.723 2.850 20 0 GFADRO Cn1c2ccc(C[NH2+]CCS(=O)(=O)c3ccc(Cl)cc3)cc2sc1=O ZINC000192508450 552565853 /nfs/dbraw/zinc/56/58/53/552565853.db2.gz CMFOKQKAFCIGJO-UHFFFAOYSA-N 1 0 396.921 2.817 20 0 GFADRO CC(C)(CNC(=O)CNC(=O)c1ccc(Br)cc1)[NH+]1CCCCC1 ZINC000192642595 552568505 /nfs/dbraw/zinc/56/85/05/552568505.db2.gz RWEVNOOELNXUPO-UHFFFAOYSA-N 1 0 396.329 2.560 20 0 GFADRO Cn1c2ccc(C[NH2+][C@H](CC(N)=O)c3cccc(Cl)c3)cc2sc1=O ZINC000192723000 552972517 /nfs/dbraw/zinc/97/25/17/552972517.db2.gz DBJMWKHHUKIPHW-CQSZACIVSA-N 1 0 375.881 2.960 20 0 GFADRO C[C@@]1(c2ccc(Br)cc2)NC(=O)N(CC[NH+]2CCCCC2)C1=O ZINC000192790363 552973378 /nfs/dbraw/zinc/97/33/78/552973378.db2.gz DMIHZWOSGGWMKZ-KRWDZBQOSA-N 1 0 380.286 2.702 20 0 GFADRO O=C(Nc1ccc(CCN2CCOCC2)cc1)c1ncccc1Br ZINC000192829282 552975175 /nfs/dbraw/zinc/97/51/75/552975175.db2.gz RQNWVLGWMJZYMN-UHFFFAOYSA-N 1 0 390.281 2.971 20 0 GFADRO C[C@@H](C[NH+]1CCCCC1)NC(=O)Cc1cc2c(cc1Br)OCCO2 ZINC000193019508 552980242 /nfs/dbraw/zinc/98/02/42/552980242.db2.gz LGUZILPSCVQMKT-ZDUSSCGKSA-N 1 0 397.313 2.753 20 0 GFADRO C[C@@H]1C[NH+](CC2CCN(C(=O)c3ncccc3Br)CC2)C[C@@H](C)O1 ZINC000193082086 552982878 /nfs/dbraw/zinc/98/28/78/552982878.db2.gz QHFFICGSGGQDLT-ZIAGYGMSSA-N 1 0 396.329 2.806 20 0 GFADRO CCCCN(C(=O)C[NH2+][C@@H](C)c1cc(C)sc1C)[C@H]1CCS(=O)(=O)C1 ZINC000193132032 552984219 /nfs/dbraw/zinc/98/42/19/552984219.db2.gz YASSICNLRWBXHV-HOCLYGCPSA-N 1 0 386.583 2.831 20 0 GFADRO O=C(NCC[NH+]1CCCC1)[C@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl ZINC000193160061 552985212 /nfs/dbraw/zinc/98/52/12/552985212.db2.gz WKQRWUCKNODJSS-MRXNPFEDSA-N 1 0 384.307 2.810 20 0 GFADRO [NH3+][C@@H]1CCCC[C@H]1NS(=O)(=O)c1cc(Cl)c(Br)cc1F ZINC000193240111 552987213 /nfs/dbraw/zinc/98/72/13/552987213.db2.gz QYDUTKWKMFZARD-GHMZBOCLSA-N 1 0 385.686 2.790 20 0 GFADRO O=S(=O)(NC[C@H]1CCC[NH2+]C1)c1ccc2cc(Br)ccc2c1 ZINC000193243851 552987410 /nfs/dbraw/zinc/98/74/10/552987410.db2.gz XPYNFHKCWGSSQG-LBPRGKRZSA-N 1 0 383.311 2.880 20 0 GFADRO O=S(=O)(NCC[NH2+]C1CC1)c1cc(Br)c(Cl)cc1Cl ZINC000193258986 552988040 /nfs/dbraw/zinc/98/80/40/552988040.db2.gz SMYIMQKIZRSODI-UHFFFAOYSA-N 1 0 388.114 2.786 20 0 GFADRO C[NH2+]CC1CCN(S(=O)(=O)c2cc(Br)c(F)cc2C)CC1 ZINC000193268385 552988419 /nfs/dbraw/zinc/98/84/19/552988419.db2.gz CSPBRBFUJBOPDT-UHFFFAOYSA-N 1 0 379.295 2.517 20 0 GFADRO CC[NH2+]CC1CCN(S(=O)(=O)c2ccc(Br)cc2C)CC1 ZINC000193299545 552989435 /nfs/dbraw/zinc/98/94/35/552989435.db2.gz XCOLTTUHXZAUPU-UHFFFAOYSA-N 1 0 375.332 2.768 20 0 GFADRO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)CCC[S@@](=O)c1ccc(Br)cc1 ZINC000193529531 552995591 /nfs/dbraw/zinc/99/55/91/552995591.db2.gz SFLFGUNYERNYBU-XTCJLCLGSA-N 1 0 387.343 2.594 20 0 GFADRO O=S(=O)(c1c(F)c(F)cc(F)c1F)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000193743066 553001959 /nfs/dbraw/zinc/00/19/59/553001959.db2.gz MEBUGCVDGQLETG-NSHDSACASA-N 1 0 380.407 2.882 20 0 GFADRO CN(C)C(=O)[C@H]1CC[C@H](C[NH2+]C2CC(c3ccc(Br)cc3)C2)O1 ZINC000194133667 553012769 /nfs/dbraw/zinc/01/27/69/553012769.db2.gz DTRVPYHQPWLJQR-OKEQZYBDSA-N 1 0 381.314 2.921 20 0 GFADRO CCN(CCC[NH+](CC)CC)C(=O)C(=O)Nc1ccc(Br)c(C)n1 ZINC000194401512 553019948 /nfs/dbraw/zinc/01/99/48/553019948.db2.gz KKKXNWDKVICCJV-UHFFFAOYSA-N 1 0 399.333 2.671 20 0 GFADRO Cc1cc(Cl)ccc1S(=O)(=O)Nc1cc(C(N)=O)ccc1C[NH+](C)C ZINC000194591323 553024556 /nfs/dbraw/zinc/02/45/56/553024556.db2.gz DZQPOBFRRYHLRL-UHFFFAOYSA-N 1 0 381.885 2.610 20 0 GFADRO C[NH+](C)C[C@H]1CCCCN1C(=O)Cc1cc2c(cc1Br)OCCO2 ZINC000194684281 553027039 /nfs/dbraw/zinc/02/70/39/553027039.db2.gz HSBWOJHYJGGPGC-CQSZACIVSA-N 1 0 397.313 2.706 20 0 GFADRO COc1cc(Br)c(NC(=O)c2csc(CC[NH3+])n2)cc1OC ZINC000194786928 553029959 /nfs/dbraw/zinc/02/99/59/553029959.db2.gz NJZVOUYKXZWWRA-UHFFFAOYSA-N 1 0 386.271 2.676 20 0 GFADRO O=C(c1cc(Br)sc1Br)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000195228638 553042028 /nfs/dbraw/zinc/04/20/28/553042028.db2.gz JWJOZNFTMNQTAB-KNVOCYPGSA-N 1 0 380.105 2.565 20 0 GFADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3csc(I)c3)CC[C@H]21 ZINC000227337055 553062597 /nfs/dbraw/zinc/06/25/97/553062597.db2.gz YEDNQXAFRQMMFO-ZYHUDNBSSA-N 1 0 390.290 2.909 20 0 GFADRO CCC[NH+]1CCC(NC(=O)c2ccc(I)c(O)c2)CC1 ZINC000230886737 553065786 /nfs/dbraw/zinc/06/57/86/553065786.db2.gz HEXIAOAXULRAFZ-UHFFFAOYSA-N 1 0 388.249 2.601 20 0 GFADRO COCC1(C(=O)Nc2ccc(C)c(I)c2)CC[NH2+]CC1 ZINC000234687881 553068247 /nfs/dbraw/zinc/06/82/47/553068247.db2.gz ZGPQSTABJDCYHF-UHFFFAOYSA-N 1 0 388.249 2.554 20 0 GFADRO [NH3+]CC[C@@H]1CCCCN1S(=O)(=O)c1ccc(Cl)c(Br)c1 ZINC000236165125 553068454 /nfs/dbraw/zinc/06/84/54/553068454.db2.gz FAFRCQIPHUCXAU-JTQLQIEISA-N 1 0 381.723 2.995 20 0 GFADRO O=C(Nc1ccc(CCn2cc(Br)cn2)cc1)C1CC[NH2+]CC1 ZINC000236588500 553069139 /nfs/dbraw/zinc/06/91/39/553069139.db2.gz RIBJJWDJOTYNIX-UHFFFAOYSA-N 1 0 377.286 2.826 20 0 GFADRO CC(=O)N[C@@H](CC(=O)N[C@H](C[NH3+])CC(C)C)c1ccc(Br)cc1 ZINC000236636419 553069625 /nfs/dbraw/zinc/06/96/25/553069625.db2.gz QPOBPARSXAWXRQ-HOTGVXAUSA-N 1 0 384.318 2.506 20 0 GFADRO Brc1ccc2c(c1)C=C(C[NH2+]CCc1nnc3n1CCC3)CO2 ZINC000236631953 553069790 /nfs/dbraw/zinc/06/97/90/553069790.db2.gz LHNXGFDTLGBPHH-UHFFFAOYSA-N 1 0 375.270 2.595 20 0 GFADRO CCC([NH3+])(CC)CNC(=O)[C@@H](CCSC)NC(=O)c1ccccc1Cl ZINC000236780699 553071559 /nfs/dbraw/zinc/07/15/59/553071559.db2.gz URJMFABUPRDMED-OAHLLOKOSA-N 1 0 385.961 2.825 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)NC1(C[NH3+])CCCC1 ZINC000236825778 553071837 /nfs/dbraw/zinc/07/18/37/553071837.db2.gz LWPDWQHTWAZKHP-AWEZNQCLSA-N 1 0 384.567 2.739 20 0 GFADRO CCOc1ccc(S(=O)(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)cc1Br ZINC000236862462 553072156 /nfs/dbraw/zinc/07/21/56/553072156.db2.gz BUHGDQSLQJFKQG-NEPJUHHUSA-N 1 0 391.331 2.596 20 0 GFADRO CCCN(C1CC[NH2+]CC1)S(=O)(=O)c1cc(OC)ccc1Br ZINC000236873572 553072103 /nfs/dbraw/zinc/07/21/03/553072103.db2.gz WXJIVJASNCVCFQ-UHFFFAOYSA-N 1 0 391.331 2.610 20 0 GFADRO CCCN(C1CC[NH2+]CC1)S(=O)(=O)c1ccc(Br)c(OC)c1 ZINC000236873930 553072141 /nfs/dbraw/zinc/07/21/41/553072141.db2.gz BTRXADPPOHSDHB-UHFFFAOYSA-N 1 0 391.331 2.610 20 0 GFADRO C[NH2+]CC1CCN(C(=O)c2nn(-c3ccc(F)cc3)cc2Br)CC1 ZINC000237096080 553074924 /nfs/dbraw/zinc/07/49/24/553074924.db2.gz SHSMKJSZUVCAQD-UHFFFAOYSA-N 1 0 395.276 2.846 20 0 GFADRO C[NH2+]C[C@@H]1CCCN(C(=O)c2nn(-c3ccc(F)cc3)cc2Br)C1 ZINC000237266701 553076785 /nfs/dbraw/zinc/07/67/85/553076785.db2.gz RJMGUJPCGZNSFT-LBPRGKRZSA-N 1 0 395.276 2.846 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)c1cnn(-c2ccc(Br)cc2)c1 ZINC000237390250 553076945 /nfs/dbraw/zinc/07/69/45/553076945.db2.gz WBQMBEWZELLNRF-WBMJQRKESA-N 1 0 377.286 2.977 20 0 GFADRO C[C@@H]1C[C@H]([NH3+])CCN1C(=O)c1ccc(Cl)c(I)c1 ZINC000237410352 553077634 /nfs/dbraw/zinc/07/76/34/553077634.db2.gz PTSVAHZCNAQOPC-PSASIEDQSA-N 1 0 378.641 2.896 20 0 GFADRO C[C@@H]1C[C@H]([NH3+])CCN1S(=O)(=O)c1c(Cl)cc(F)cc1Br ZINC000237434930 553077649 /nfs/dbraw/zinc/07/76/49/553077649.db2.gz KVNLOIVREXQAQP-VXNVDRBHSA-N 1 0 385.686 2.742 20 0 GFADRO C[C@@H](C[NH3+])N(C)C(=O)c1cccc(NC(=O)c2ccc(Br)o2)c1 ZINC000237474915 553078528 /nfs/dbraw/zinc/07/85/28/553078528.db2.gz QRQOLJQCDGLJKF-JTQLQIEISA-N 1 0 380.242 2.714 20 0 GFADRO C[C@]1(C(=O)NC2CCN(Cc3ccc(Br)cc3)CC2)CC[NH2+]C1 ZINC000237541256 553078836 /nfs/dbraw/zinc/07/88/36/553078836.db2.gz QHLURMKTACWNGV-SFHVURJKSA-N 1 0 380.330 2.529 20 0 GFADRO C[C@H]1CN(C(=O)CCCCc2ccc(I)cc2)CC[NH2+]1 ZINC000237578052 553079236 /nfs/dbraw/zinc/07/92/36/553079236.db2.gz YYXUOFGIZMLZMB-ZDUSSCGKSA-N 1 0 386.277 2.824 20 0 GFADRO C[C@H](NC(=O)[C@]1(C)CCC[NH2+]C1)c1cc2c(cc1Br)OCCO2 ZINC000237561690 553079449 /nfs/dbraw/zinc/07/94/49/553079449.db2.gz IQHNJWZTRVLUFE-APPDUMDISA-N 1 0 383.286 2.787 20 0 GFADRO Cc1sc(NC(=O)[C@@H]2C[NH2+]CCO2)nc1-c1ccc(Br)cc1 ZINC000237710647 553080901 /nfs/dbraw/zinc/08/09/01/553080901.db2.gz UPPXMVNUXHMDKN-LBPRGKRZSA-N 1 0 382.283 2.808 20 0 GFADRO Cc1ccsc1C[NH2+]Cc1ccccc1CS(=O)(=O)N1CCOCC1 ZINC000237778651 553081666 /nfs/dbraw/zinc/08/16/66/553081666.db2.gz BKKWBUVEIOOEQJ-UHFFFAOYSA-N 1 0 380.535 2.508 20 0 GFADRO O=C(CC1CC[NH2+]CC1)N1CCN(C(=O)c2cccc(Cl)c2Cl)CC1 ZINC000237837610 553082772 /nfs/dbraw/zinc/08/27/72/553082772.db2.gz DLOGOOIONLROBL-UHFFFAOYSA-N 1 0 384.307 2.668 20 0 GFADRO [NH3+][C@H](CC(=O)N1CCN(c2ccc(Br)cn2)CC1)c1ccccc1 ZINC000237841167 553082783 /nfs/dbraw/zinc/08/27/83/553082783.db2.gz ZCVOYVRUFZQFHU-MRXNPFEDSA-N 1 0 389.297 2.583 20 0 GFADRO [NH3+]C[C@H]1CCCN(C(=O)CCC[S@](=O)c2ccc(Br)cc2)C1 ZINC000237851735 553082787 /nfs/dbraw/zinc/08/27/87/553082787.db2.gz YBAAHNMPTCPKCY-DMZKTXOQSA-N 1 0 387.343 2.534 20 0 GFADRO O=C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(Cl)c(I)c1 ZINC000237864381 553083644 /nfs/dbraw/zinc/08/36/44/553083644.db2.gz YNYQKFPZESWVHV-ZACCUICWSA-N 1 0 390.652 2.957 20 0 GFADRO Cn1cnnc1Sc1ccc(NC(=O)[C@@H]2CC23CC[NH2+]CC3)cc1Cl ZINC000237952537 553083777 /nfs/dbraw/zinc/08/37/77/553083777.db2.gz YDBKBHMVGJFLHU-LBPRGKRZSA-N 1 0 377.901 2.948 20 0 GFADRO [NH3+]C[C@H](NC(=O)c1cccc(NC(=O)c2ccc(Br)o2)c1)C1CC1 ZINC000237924386 553084060 /nfs/dbraw/zinc/08/40/60/553084060.db2.gz LMYBGZSPIIIFCI-ZDUSSCGKSA-N 1 0 392.253 2.762 20 0 GFADRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)c1cnn(-c2ccc(Br)cc2)c1 ZINC000237899327 553084104 /nfs/dbraw/zinc/08/41/04/553084104.db2.gz UVSJZRQHHUGJEB-LRDDRELGSA-N 1 0 377.286 2.882 20 0 GFADRO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)c1ccc(I)c(F)c1 ZINC000237923847 553084112 /nfs/dbraw/zinc/08/41/12/553084112.db2.gz NDHWIVJFOCVFER-GXFFZTMASA-N 1 0 376.213 2.678 20 0 GFADRO O[C@@H](C[NH2+]C1CCSCC1)COc1ccc(I)cc1 ZINC000238014831 553085111 /nfs/dbraw/zinc/08/51/11/553085111.db2.gz SKPYLIHPQMSAEO-ZDUSSCGKSA-N 1 0 393.290 2.516 20 0 GFADRO [NH3+]C[C@@H]1CCCN(C(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)C1 ZINC000238074971 553085555 /nfs/dbraw/zinc/08/55/55/553085555.db2.gz AGCNTRDNPIAGSD-LRDDRELGSA-N 1 0 384.307 2.795 20 0 GFADRO C[N@@H+]1CCC[C@H]1CNC(=O)NC[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000245388285 553089406 /nfs/dbraw/zinc/08/94/06/553089406.db2.gz CFYKVJVJEOAYSH-PBHICJAKSA-N 1 0 395.345 2.669 20 0 GFADRO COC(=O)c1cc(Cl)ccc1S(=O)(=O)NC[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000245569523 553092865 /nfs/dbraw/zinc/09/28/65/553092865.db2.gz YPKBNBIHUSPTNA-QWHCGFSZSA-N 1 0 388.917 2.525 20 0 GFADRO CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H](O)COc1cccc(Cl)c1Cl ZINC000245890006 553099216 /nfs/dbraw/zinc/09/92/16/553099216.db2.gz FTOULAVOOQZVTC-TZMCWYRMSA-N 1 0 375.296 2.724 20 0 GFADRO CC(C)Cc1nnc(NC(=O)CN(C[C@H]2CCCO2)[C@H]2CCSC2)s1 ZINC000246006503 553100894 /nfs/dbraw/zinc/10/08/94/553100894.db2.gz YZEODWJXSVJLIT-UONOGXRCSA-N 1 0 384.571 2.662 20 0 GFADRO CC[C@H]([NH2+][C@@H](C)C(=O)N(CC)[C@H]1CCS(=O)(=O)C1)c1cccc(Cl)c1 ZINC000246106047 553102481 /nfs/dbraw/zinc/10/24/81/553102481.db2.gz PCUDOVWQMMVVGC-JQFCIGGWSA-N 1 0 386.945 2.805 20 0 GFADRO O[C@H](C[N@@H+]1CCC[C@@H](c2nnc3n2CCC3)C1)c1cccc(Br)c1 ZINC000246176536 553103740 /nfs/dbraw/zinc/10/37/40/553103740.db2.gz UARKHQBIUWYLTM-GDBMZVCRSA-N 1 0 391.313 2.900 20 0 GFADRO O[C@@H](COc1ccc(Br)cc1)CN1CCC[C@H]1C[NH+]1CCCC1 ZINC000246212492 553104654 /nfs/dbraw/zinc/10/46/54/553104654.db2.gz BHTSCKXNXJFCAS-DLBZAZTESA-N 1 0 383.330 2.749 20 0 GFADRO CSCC[C@@H]1NC(=S)N(C[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)C1=O ZINC000246505882 553109385 /nfs/dbraw/zinc/10/93/85/553109385.db2.gz YAOKKNMDYURHBQ-IPYPFGDCSA-N 1 0 383.608 2.969 20 0 GFADRO CC(=O)N1CC[C@@H](C[N@H+](C)C[C@@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000246717695 553111847 /nfs/dbraw/zinc/11/18/47/553111847.db2.gz NOCATQDBEMEWMH-DZGCQCFKSA-N 1 0 375.296 2.533 20 0 GFADRO O=C([C@@H]1C[C@H]1c1ccc(Br)cc1)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246703859 553111982 /nfs/dbraw/zinc/11/19/82/553111982.db2.gz KFMRVTWIWMCFBK-JCGIZDLHSA-N 1 0 393.325 2.733 20 0 GFADRO C[C@@H]1CCC[N@H+](CC(=O)NCC(=O)Nc2ccccc2Br)[C@H]1C ZINC000246745215 553112403 /nfs/dbraw/zinc/11/24/03/553112403.db2.gz MYZHDBDQTHSCBE-OLZOCXBDSA-N 1 0 382.302 2.624 20 0 GFADRO Cc1ccc(NC(=O)[C@H](C)N2CCC[C@@H](OCCO)C2)c(Br)c1 ZINC000246741990 553112728 /nfs/dbraw/zinc/11/27/28/553112728.db2.gz INPMHLHYTPCCIE-UONOGXRCSA-N 1 0 385.302 2.558 20 0 GFADRO CN(Cc1ccc([S@](C)=O)cc1)[C@@H](C(N)=O)c1ccc(Br)cc1 ZINC000246924492 553116064 /nfs/dbraw/zinc/11/60/64/553116064.db2.gz GTQOOOXQWMYUMZ-MWTRTKDXSA-N 1 0 395.322 2.845 20 0 GFADRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C[C@@H]1Sc2ccc(Cl)cc2NC1=O ZINC000247357274 553121255 /nfs/dbraw/zinc/12/12/55/553121255.db2.gz JZEVZPKMNATBEL-XFJVYGCCSA-N 1 0 381.929 2.942 20 0 GFADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@H]1CCc2c1cccc2Br ZINC000247655441 553124546 /nfs/dbraw/zinc/12/45/46/553124546.db2.gz YDFBKGSLZOCRAP-DYVFJYSZSA-N 1 0 396.329 2.846 20 0 GFADRO CC[C@@H]1CN([C@@H](C)C(=O)Nc2ccc(Br)cc2)CC[N@@H+]1C[C@H](C)O ZINC000247806890 553125968 /nfs/dbraw/zinc/12/59/68/553125968.db2.gz SXLVTNJWYDTTMV-GRDNDAEWSA-N 1 0 398.345 2.553 20 0 GFADRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)CCC[S@@](=O)c3ccc(Br)cc3)C[C@H]12 ZINC000248580490 553131084 /nfs/dbraw/zinc/13/10/84/553131084.db2.gz FFVNWNCTSDODSY-RFJYKSNYSA-N 1 0 399.354 2.533 20 0 GFADRO C[C@@H](NC(=O)N1CC[N@@H+](C[C@H](C)O)[C@H](C)C1)c1ccccc1Br ZINC000248632826 553132687 /nfs/dbraw/zinc/13/26/87/553132687.db2.gz PNTYQROJZGFSDM-HZSPNIEDSA-N 1 0 384.318 2.607 20 0 GFADRO COc1ccc(COC[C@@H](O)CN2CCSC[C@H]2c2nccs2)cc1 ZINC000248715730 553133904 /nfs/dbraw/zinc/13/39/04/553133904.db2.gz NQRIMCIVFDJGSG-RDJZCZTQSA-N 1 0 380.535 2.819 20 0 GFADRO Cc1cc(Br)ccc1S(=O)(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000248750209 553134510 /nfs/dbraw/zinc/13/45/10/553134510.db2.gz SPSNJWRPZZTXNV-GXTWGEPZSA-N 1 0 375.332 2.861 20 0 GFADRO COC(=O)[C@@H](c1ccc(Cl)c(Cl)c1)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000248839585 553135660 /nfs/dbraw/zinc/13/56/60/553135660.db2.gz KWSWFHWXNSWBQJ-SUMWQHHRSA-N 1 0 387.307 2.862 20 0 GFADRO COC(=O)c1cc(Cl)ccc1S(=O)(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000249107164 553139826 /nfs/dbraw/zinc/13/98/26/553139826.db2.gz QOIIGFZUFLRFCS-OLZOCXBDSA-N 1 0 388.917 2.525 20 0 GFADRO Cc1cc(NC(=O)N2CC[N@@H+](C[C@H](C)O)[C@H](C)C2)cc(C)c1Br ZINC000249144507 553140118 /nfs/dbraw/zinc/14/01/18/553140118.db2.gz ZTDBDRGIOFPHRR-KGLIPLIRSA-N 1 0 384.318 2.985 20 0 GFADRO C[C@@H](C(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C)c1ccc(Br)cc1 ZINC000249305388 553141940 /nfs/dbraw/zinc/14/19/40/553141940.db2.gz CVSDSBVKZDQHGI-ZIAGYGMSSA-N 1 0 383.330 2.856 20 0 GFADRO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000249474449 553143724 /nfs/dbraw/zinc/14/37/24/553143724.db2.gz HJURAQCUVFLCEJ-YDHLFZDLSA-N 1 0 390.933 2.502 20 0 GFADRO C[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2Cl)[C@H]1C[NH3+] ZINC000252207709 553148907 /nfs/dbraw/zinc/14/89/07/553148907.db2.gz VMAAWGFVCOICPM-SKDRFNHKSA-N 1 0 381.723 2.850 20 0 GFADRO CN1CCO[C@@H]([C@@H](NS(=O)(=O)CC2CCCC2)c2ccc(Cl)cc2)C1 ZINC000252735943 553150117 /nfs/dbraw/zinc/15/01/17/553150117.db2.gz SEFVMYIAFWCNCC-MSOLQXFVSA-N 1 0 386.945 2.821 20 0 GFADRO COc1ccccc1/C=C\C[NH2+]CCNS(=O)(=O)c1ccc(Cl)s1 ZINC000255545125 553152728 /nfs/dbraw/zinc/15/27/28/553152728.db2.gz ISJADSDQCZCSMG-XQRVVYSFSA-N 1 0 386.926 2.991 20 0 GFADRO [NH3+]CCCN(Cc1ccccc1)S(=O)(=O)c1ccc(Br)cc1 ZINC000261546370 553153547 /nfs/dbraw/zinc/15/35/47/553153547.db2.gz KYIATJNELDBHNN-UHFFFAOYSA-N 1 0 383.311 2.989 20 0 GFADRO Cc1c(Br)cccc1C(=O)Nc1ccc(N2CC[NH2+]CC2)cn1 ZINC000261605244 553153949 /nfs/dbraw/zinc/15/39/49/553153949.db2.gz AGZBDNKSKNNPIZ-UHFFFAOYSA-N 1 0 375.270 2.814 20 0 GFADRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C1(c2ccc(Br)cc2)CCOCC1 ZINC000261620185 553154340 /nfs/dbraw/zinc/15/43/40/553154340.db2.gz BVICRJOHRZQZCM-ZIAGYGMSSA-N 1 0 381.314 2.693 20 0 GFADRO C[NH2+][C@@H](C)Cc1noc([C@@H]2CCN(c3cccc(Br)c3)C2=O)n1 ZINC000261625739 553154552 /nfs/dbraw/zinc/15/45/52/553154552.db2.gz CBONUSXTNZUIHS-GWCFXTLKSA-N 1 0 379.258 2.503 20 0 GFADRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)C1(c2ccc(Br)cc2)CCOCC1 ZINC000261620184 553154733 /nfs/dbraw/zinc/15/47/33/553154733.db2.gz BVICRJOHRZQZCM-UONOGXRCSA-N 1 0 381.314 2.693 20 0 GFADRO C[NH2+][C@H](C)Cc1noc(-c2nn(-c3ccc(F)cc3)cc2Br)n1 ZINC000261720925 553157534 /nfs/dbraw/zinc/15/75/34/553157534.db2.gz JOAWXSNFKHPISK-SECBINFHSA-N 1 0 380.221 2.974 20 0 GFADRO C[C@H](NC(=O)[C@@](C)([NH3+])c1ccc(Br)cc1)C(=O)N1CCCC[C@H]1C ZINC000261750968 553158162 /nfs/dbraw/zinc/15/81/62/553158162.db2.gz MSNTYXWAGLIOAF-VBHSOAQHSA-N 1 0 396.329 2.529 20 0 GFADRO C[C@H](NS(=O)(=O)c1c(Cl)cccc1Br)[C@H]1CCC[NH2+]C1 ZINC000261765279 553158480 /nfs/dbraw/zinc/15/84/80/553158480.db2.gz OEAPEKDNCWSBNV-UWVGGRQHSA-N 1 0 381.723 2.769 20 0 GFADRO O=C(CN1CC[NH2+]C[C@H]1c1cccc(Cl)c1)Nc1nc2c(s1)CCC2 ZINC000261770342 553158490 /nfs/dbraw/zinc/15/84/90/553158490.db2.gz MIEFIPDDPUUHOF-HNNXBMFYSA-N 1 0 376.913 2.870 20 0 GFADRO [NH3+]C1(c2noc([C@@H]3CCN(c4cccc(Br)c4)C3=O)n2)CCC1 ZINC000261776834 553159349 /nfs/dbraw/zinc/15/93/49/553159349.db2.gz NMMBWLPNEMSBCA-LBPRGKRZSA-N 1 0 377.242 2.691 20 0 GFADRO C[C@@]1(C[NH3+])CCN(C(=O)[C@@H]2CCCN2C(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000261806898 553159667 /nfs/dbraw/zinc/15/96/67/553159667.db2.gz HHBBZCFDXOGNEL-YJBOKZPZSA-N 1 0 384.307 2.795 20 0 GFADRO Cc1c(C(=O)N2C[C@@H](C[NH3+])C[C@H]2C)cnn1-c1ccc(Br)cc1 ZINC000261831514 553160483 /nfs/dbraw/zinc/16/04/83/553160483.db2.gz OIMSBQKJMLKZSS-DGCLKSJQSA-N 1 0 377.286 2.753 20 0 GFADRO C[C@H](NC(=O)CN1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1)c1ccc(Br)cc1 ZINC000261864236 553160967 /nfs/dbraw/zinc/16/09/67/553160967.db2.gz KQMOYLCJGMTQCA-ZFZWDLNGSA-N 1 0 380.330 2.686 20 0 GFADRO O=C(CC[C@H]1CC[NH2+]C1)Nc1cc(Br)ccc1N1CCOCC1 ZINC000261872124 553161821 /nfs/dbraw/zinc/16/18/21/553161821.db2.gz QWJLBKAYRQYKQJ-ZDUSSCGKSA-N 1 0 382.302 2.614 20 0 GFADRO O=C(CSCc1cccc(Cl)c1)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000261876700 553161866 /nfs/dbraw/zinc/16/18/66/553161866.db2.gz OSQPJJJHAHJWKC-CQSZACIVSA-N 1 0 395.878 2.526 20 0 GFADRO CN(CCNC(=O)[C@@](C)([NH3+])c1ccc(Br)cc1)c1ccccc1 ZINC000261879740 553161884 /nfs/dbraw/zinc/16/18/84/553161884.db2.gz YVMUYDQMLWYCMQ-SFHVURJKSA-N 1 0 376.298 2.876 20 0 GFADRO C[C@H](NS(=O)(=O)c1cccc(Br)c1Cl)[C@@H]1CCC[NH2+]C1 ZINC000262097263 553165872 /nfs/dbraw/zinc/16/58/72/553165872.db2.gz SKHJPIOZCVHGML-VHSXEESVSA-N 1 0 381.723 2.769 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CCCN(S(=O)(=O)c2c(Cl)cc(F)cc2Br)C1 ZINC000262159351 553166488 /nfs/dbraw/zinc/16/64/88/553166488.db2.gz UKSMLYZJCBEFSK-RKDXNWHRSA-N 1 0 399.713 2.990 20 0 GFADRO [NH3+][C@@H](C(=O)N1CCO[C@@H](c2cc(F)c(Cl)cc2Cl)C1)C1CCOCC1 ZINC000262179168 553166761 /nfs/dbraw/zinc/16/67/61/553166761.db2.gz YZWRQJSQDDKOKF-HZPDHXFCSA-N 1 0 391.270 2.786 20 0 GFADRO C[C@@H](CNC(=O)c1csc(CC[NH3+])n1)Oc1cccc(Br)c1 ZINC000262324495 553169065 /nfs/dbraw/zinc/16/90/65/553169065.db2.gz DASSNWDXSYORAG-JTQLQIEISA-N 1 0 384.299 2.604 20 0 GFADRO COc1ccc(Br)cc1CN(C)C(=O)c1csc(CC[NH3+])n1 ZINC000262339977 553169319 /nfs/dbraw/zinc/16/93/19/553169319.db2.gz UDUDKJMVDKMSJB-UHFFFAOYSA-N 1 0 384.299 2.688 20 0 GFADRO CC[NH2+][C@H](C)CNC(=O)c1cc(Cl)c(I)cc1OC ZINC000262420146 553170370 /nfs/dbraw/zinc/17/03/70/553170370.db2.gz AWQMLKBCPITLND-MRVPVSSYSA-N 1 0 396.656 2.681 20 0 GFADRO [NH3+]C1CCN(C(=O)c2ccc(NC(=O)c3ccc(Br)o3)cc2)CC1 ZINC000262494687 553171460 /nfs/dbraw/zinc/17/14/60/553171460.db2.gz BOGIXJHNTYBDDB-UHFFFAOYSA-N 1 0 392.253 2.858 20 0 GFADRO O=C(CCNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1)Nc1ccc(Br)cc1 ZINC000262459787 553171537 /nfs/dbraw/zinc/17/15/37/553171537.db2.gz VQBVOEIAILATKG-MAZHCROVSA-N 1 0 394.313 2.815 20 0 GFADRO O=C(NC1CC[NH2+]CC1)[C@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000262511298 553171760 /nfs/dbraw/zinc/17/17/60/553171760.db2.gz NTPMJLGEWHTKCJ-ZDUSSCGKSA-N 1 0 384.307 2.714 20 0 GFADRO Cc1c(C(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)nnn1-c1cccc(Br)c1 ZINC000262583056 553172390 /nfs/dbraw/zinc/17/23/90/553172390.db2.gz NDFIZNXEVBVQHJ-DGCLKSJQSA-N 1 0 392.301 2.538 20 0 GFADRO CCc1c(C(=O)NCC[C@@H]2CC[NH2+]C2)cnn1-c1ccc(Br)cc1 ZINC000262577163 553172615 /nfs/dbraw/zinc/17/26/15/553172615.db2.gz JZBVXUVYPDXCCR-ZDUSSCGKSA-N 1 0 391.313 2.927 20 0 GFADRO O=C(NCC[C@H]1CC[NH2+]C1)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1 ZINC000262598798 553172925 /nfs/dbraw/zinc/17/29/25/553172925.db2.gz WKQWABCIXTWNGZ-CQSZACIVSA-N 1 0 384.929 2.542 20 0 GFADRO O=C(NCC[C@H]1CC[NH2+]C1)[C@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl ZINC000262593938 553172994 /nfs/dbraw/zinc/17/29/94/553172994.db2.gz SUBJWXVTJMNXEF-MLGOLLRUSA-N 1 0 384.307 2.714 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)N[C@@H]1CCC[C@H]1C[NH3+] ZINC000262593212 553173080 /nfs/dbraw/zinc/17/30/80/553173080.db2.gz SGSQIWFSGVIAGO-QLFBSQMISA-N 1 0 384.567 2.595 20 0 GFADRO C[C@@H](CC(=O)N1CCC(n2cc(Br)cn2)CC1)C1CC[NH2+]CC1 ZINC000262634967 553173665 /nfs/dbraw/zinc/17/36/65/553173665.db2.gz MLRCAISNUDTFLW-ZDUSSCGKSA-N 1 0 383.334 2.835 20 0 GFADRO O=C(N[C@H]1CCc2c1cccc2Br)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000262703507 553174006 /nfs/dbraw/zinc/17/40/06/553174006.db2.gz CSBLZGCNJAOXJQ-LRDDRELGSA-N 1 0 389.297 2.987 20 0 GFADRO C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)c1cc(Cl)ccc1I ZINC000262727323 553174678 /nfs/dbraw/zinc/17/46/78/553174678.db2.gz APCDFTISRDLJOA-DTWKUNHWSA-N 1 0 378.641 2.767 20 0 GFADRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)[C@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl ZINC000262745362 553175211 /nfs/dbraw/zinc/17/52/11/553175211.db2.gz JKFNVSBVAMIYJP-XFBWCDHKSA-N 1 0 384.307 2.712 20 0 GFADRO C[C@@H]([NH3+])C1CCN(S(=O)(=O)c2cccc(Cl)c2Br)CC1 ZINC000262771431 553175866 /nfs/dbraw/zinc/17/58/66/553175866.db2.gz MHJXNJZNJYGTNB-SECBINFHSA-N 1 0 381.723 2.850 20 0 GFADRO COc1ccc(Br)c(NC(=O)c2ccn([C@@H]3CCC[NH2+]C3)n2)c1 ZINC000262851188 553177396 /nfs/dbraw/zinc/17/73/96/553177396.db2.gz SJBXFARXDWEUSS-LLVKDONJSA-N 1 0 379.258 2.831 20 0 GFADRO C[C@]1([NH3+])CCCC[C@H]1C(=O)NCCc1ccc(I)s1 ZINC000262960145 553179603 /nfs/dbraw/zinc/17/96/03/553179603.db2.gz KQTHDLZCPJOEKM-FZMZJTMJSA-N 1 0 392.306 2.919 20 0 GFADRO Cc1cc(NC(=O)CNC(=O)[C@H]2CCCC[C@@]2(C)[NH3+])ccc1Br ZINC000263232510 553184904 /nfs/dbraw/zinc/18/49/04/553184904.db2.gz NOVUXECKCRAFHR-CXAGYDPISA-N 1 0 382.302 2.720 20 0 GFADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)c1cc(F)c(Cl)cc1Cl ZINC000263710510 553192022 /nfs/dbraw/zinc/19/20/22/553192022.db2.gz QKGITDFWBHAIBI-HNNXBMFYSA-N 1 0 390.286 2.805 20 0 GFADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000263758530 553192811 /nfs/dbraw/zinc/19/28/11/553192811.db2.gz YKWMIKRXOGSLHR-MRXNPFEDSA-N 1 0 386.323 2.595 20 0 GFADRO C[C@H](CNC(=O)c1csc(-c2ccc(Cl)s2)n1)N1CC[NH+](C)CC1 ZINC000263773642 553193319 /nfs/dbraw/zinc/19/33/19/553193319.db2.gz NKHNLOAHHMGSBC-LLVKDONJSA-N 1 0 384.958 2.891 20 0 GFADRO C[C@H](CNC(=O)CSCc1ccc(Cl)cc1Cl)N1CC[NH+](C)CC1 ZINC000263816152 553193910 /nfs/dbraw/zinc/19/39/10/553193910.db2.gz YESDLMGUCNHYPB-CYBMUJFWSA-N 1 0 390.380 2.979 20 0 GFADRO Cc1cc(Br)ccc1S(=O)(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000416557772 563848193 /nfs/dbraw/zinc/84/81/93/563848193.db2.gz NVCKSBSEZDSCKN-ZDUSSCGKSA-N 1 0 375.332 2.768 20 0 GFADRO Cc1cc(CNC(=O)N[C@H]2CCC[C@H]([NH3+])C2)ccc1I ZINC000418138470 563899832 /nfs/dbraw/zinc/89/98/32/563899832.db2.gz GDIWXGHNDXUKNC-STQMWFEESA-N 1 0 387.265 2.669 20 0 GFADRO Cc1cc(Br)ccc1S(=O)(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000472568686 564227074 /nfs/dbraw/zinc/22/70/74/564227074.db2.gz GPQMYUGDBSXLAQ-ZIAGYGMSSA-N 1 0 375.332 2.909 20 0 GFADRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1cc(I)ccc1F ZINC000474920608 564292563 /nfs/dbraw/zinc/29/25/63/564292563.db2.gz DOFJOYTXDPDYBW-XPTSAGLGSA-N 1 0 388.224 2.643 20 0 GFADRO C[C@@H]1CN(C[C@@H](O)C[NH2+]Cc2ccc(Br)cc2Cl)C[C@H](C)O1 ZINC000565887376 564300821 /nfs/dbraw/zinc/30/08/21/564300821.db2.gz MRQIHFDYBXYXDG-ZOWXZIJZSA-N 1 0 391.737 2.662 20 0 GFADRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1S(=O)(=O)c1ccc(Br)cc1F ZINC000510524638 564336422 /nfs/dbraw/zinc/33/64/22/564336422.db2.gz YDIYTYGQEWWKDD-YPMHNXCESA-N 1 0 391.306 2.836 20 0 GFADRO CC(C)(C[NH+]1CCCC1)NS(=O)(=O)c1cc(F)ccc1Br ZINC000452079194 564389402 /nfs/dbraw/zinc/38/94/02/564389402.db2.gz FNRAWLJHTNUVFL-UHFFFAOYSA-N 1 0 379.295 2.741 20 0 GFADRO C[C@@H]1CN(C(=O)c2ccccc2I)CC[N@@H+](C2CC2)C1 ZINC000452171311 564397992 /nfs/dbraw/zinc/39/79/92/564397992.db2.gz QBIZNSYOAYIUDB-LBPRGKRZSA-N 1 0 384.261 2.848 20 0 GFADRO C[C@H]1C[N@H+](CCO)CCN1Cc1cc(Br)ccc1OC(F)F ZINC000452125184 564394796 /nfs/dbraw/zinc/39/47/96/564394796.db2.gz XLZRWIVHWJOAFX-NSHDSACASA-N 1 0 379.245 2.549 20 0 GFADRO Cc1ccc(C[NH2+]C[C@@H]2CCCCN2S(C)(=O)=O)cc1Br ZINC000513026790 564417530 /nfs/dbraw/zinc/41/75/30/564417530.db2.gz GBXFHMZPLIXTTB-AWEZNQCLSA-N 1 0 375.332 2.661 20 0 GFADRO CC[C@H](CNS(C)(=O)=O)[NH2+][C@@H](CC)c1cc(F)cc(Br)c1 ZINC000453276205 564452133 /nfs/dbraw/zinc/45/21/33/564452133.db2.gz FYJDKSSQTBOXJG-KGLIPLIRSA-N 1 0 381.311 2.957 20 0 GFADRO Cc1cc(Br)c(C[NH2+]CC2CCN(S(C)(=O)=O)CC2)s1 ZINC000453589261 564459703 /nfs/dbraw/zinc/45/97/03/564459703.db2.gz MNAPRGIJCOBOFT-UHFFFAOYSA-N 1 0 381.361 2.580 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)c2cc(Br)ccc2Cl)CC12CCOCC2 ZINC000514937820 564462669 /nfs/dbraw/zinc/46/26/69/564462669.db2.gz PFTDVZFNIQSNIN-NSHDSACASA-N 1 0 387.705 2.930 20 0 GFADRO COC[C@@H](C)OC[C@@H](O)C[NH2+]CC1(c2ccc(Br)s2)CCC1 ZINC000515188221 564471534 /nfs/dbraw/zinc/47/15/34/564471534.db2.gz YJUWUAXVXYNRJE-OLZOCXBDSA-N 1 0 392.359 2.934 20 0 GFADRO C[C@@H](CNS(=O)(=O)c1ccc(Br)cc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000515737591 564486682 /nfs/dbraw/zinc/48/66/82/564486682.db2.gz VRCMQVGDUZUKFG-OLZOCXBDSA-N 1 0 375.332 2.848 20 0 GFADRO [NH3+]CCCCNC(=O)N1CCC[C@@H]1c1ccccc1I ZINC000418534867 563219669 /nfs/dbraw/zinc/21/96/69/563219669.db2.gz XYPYGJLJRYEYNC-CQSZACIVSA-N 1 0 387.265 2.877 20 0 GFADRO COCC(C)(C)[NH+]1CCN(C(=O)Cc2ccc(F)cc2Br)CC1 ZINC000424981509 563400142 /nfs/dbraw/zinc/40/01/42/563400142.db2.gz BDVDHWWNUDSDLQ-UHFFFAOYSA-N 1 0 387.293 2.700 20 0 GFADRO Ic1cccc(C[NH2+]CCCOC[C@H]2CCCO2)c1 ZINC000311480403 563435958 /nfs/dbraw/zinc/43/59/58/563435958.db2.gz SZZVNSFUUFBXME-OAHLLOKOSA-N 1 0 375.250 2.967 20 0 GFADRO C[NH2+][C@H]1CCN(C(=O)CCCCc2ccc(I)cc2)C1 ZINC000428419980 563491366 /nfs/dbraw/zinc/49/13/66/563491366.db2.gz CSHQVPLAZJXYGB-HNNXBMFYSA-N 1 0 386.277 2.824 20 0 GFADRO CSCc1noc(CCC(=O)NC[C@H]2CC[N@H+](C)[C@@H]2c2cccs2)n1 ZINC000369397789 563212918 /nfs/dbraw/zinc/21/29/18/563212918.db2.gz JLJUBKHRBFAJIV-PXAZEXFGSA-N 1 0 380.539 2.736 20 0 GFADRO C[C@@H]1CCN(C(=O)NCCC(=O)Nc2cc(Cl)cc(Cl)c2)C[C@@H]1C[NH3+] ZINC000418211050 563213312 /nfs/dbraw/zinc/21/33/12/563213312.db2.gz DHLIRJPTWOJISF-NEPJUHHUSA-N 1 0 387.311 2.948 20 0 GFADRO COCCOC1(C[NH2+]Cc2ccc(F)cc2Br)CCOCC1 ZINC000294721931 563213706 /nfs/dbraw/zinc/21/37/06/563213706.db2.gz FOBYZUOCGCCFSZ-UHFFFAOYSA-N 1 0 376.266 2.890 20 0 GFADRO C[NH2+]CCC1CCN(C(=O)NCc2nc3c(cccc3Br)[nH]2)CC1 ZINC000418259677 563214968 /nfs/dbraw/zinc/21/49/68/563214968.db2.gz GIUDOIFRLFKJQJ-UHFFFAOYSA-N 1 0 394.317 2.857 20 0 GFADRO CCCN(C(=O)NCc1nc(C)c(Br)s1)C1CC[NH2+]CC1 ZINC000418243919 563215054 /nfs/dbraw/zinc/21/50/54/563215054.db2.gz WTYZGIWDKNBPIJ-UHFFFAOYSA-N 1 0 375.336 2.888 20 0 GFADRO [NH3+]CC[C@H]1CCCN(C(=O)NCc2nc3c(cccc3Br)[nH]2)C1 ZINC000418257679 563215073 /nfs/dbraw/zinc/21/50/73/563215073.db2.gz DBFKDRPXLSFQCD-LLVKDONJSA-N 1 0 380.290 2.596 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)NCc1nc2c(cccc2Br)[nH]1 ZINC000418271538 563215099 /nfs/dbraw/zinc/21/50/99/563215099.db2.gz TZZWVEIPPRNKTK-ZWNOBZJWSA-N 1 0 380.290 2.737 20 0 GFADRO COCc1cccc(S(=O)(=O)NC[C@H]2CC[N@H+](C)[C@H]2c2cccs2)c1 ZINC000369539708 563216339 /nfs/dbraw/zinc/21/63/39/563216339.db2.gz JZBZUCZTWIVVRR-CRAIPNDOSA-N 1 0 380.535 2.866 20 0 GFADRO COc1ccc(Br)c(CN(C)C(=O)N[C@@H](C)[C@@H]2CCC[NH2+]C2)c1 ZINC000418357810 563216333 /nfs/dbraw/zinc/21/63/33/563216333.db2.gz YOOUBCVBRBNNDE-QWHCGFSZSA-N 1 0 384.318 2.987 20 0 GFADRO C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)NCC(C)(C)[NH3+])CC1 ZINC000418417795 563217125 /nfs/dbraw/zinc/21/71/25/563217125.db2.gz VLENWTOUPQHERQ-ZDUSSCGKSA-N 1 0 383.334 2.575 20 0 GFADRO C[C@@H](C[NH3+])CNC(=O)N1CCC[C@@H]1c1ccc(I)cc1 ZINC000418468787 563217747 /nfs/dbraw/zinc/21/77/47/563217747.db2.gz JOUCXMAJJWFAER-SMDDNHRTSA-N 1 0 387.265 2.733 20 0 GFADRO CCCC[C@H](C[NH3+])NC(=O)NC[C@@H](O)COc1cccc(Cl)c1Cl ZINC000418477204 563218050 /nfs/dbraw/zinc/21/80/50/563218050.db2.gz XLLHFMXBHUWFLS-VXGBXAGGSA-N 1 0 378.300 2.550 20 0 GFADRO [NH3+][C@@H](CNC(=O)N1CCN(Cc2ccc(Cl)s2)CC1)c1ccccc1 ZINC000418435053 563218156 /nfs/dbraw/zinc/21/81/56/563218156.db2.gz WIENRJGVFGYGRH-INIZCTEOSA-N 1 0 378.929 2.929 20 0 GFADRO COCCOC1(C[NH2+]Cc2ccc(OC)c(Br)c2)CCOCC1 ZINC000294846313 563218412 /nfs/dbraw/zinc/21/84/12/563218412.db2.gz RPUFNXHSEPMCEV-UHFFFAOYSA-N 1 0 388.302 2.760 20 0 GFADRO COCC[NH2+]CCNC(=O)N(Cc1cccc(Br)c1)CC1CC1 ZINC000418510383 563218445 /nfs/dbraw/zinc/21/84/45/563218445.db2.gz PQVWVNJGWAADCL-UHFFFAOYSA-N 1 0 384.318 2.607 20 0 GFADRO [NH3+]CCCCNC(=O)N1CCC[C@@H]1c1ccc(I)cc1 ZINC000418515058 563219123 /nfs/dbraw/zinc/21/91/23/563219123.db2.gz VBGYNLNVXFQORU-CQSZACIVSA-N 1 0 387.265 2.877 20 0 GFADRO O=C(NCC1([NH+]2CCCCC2)CCOCC1)c1ncsc1C(F)(F)F ZINC000277660916 563219641 /nfs/dbraw/zinc/21/96/41/563219641.db2.gz LOHUEKMXBZLJSQ-UHFFFAOYSA-N 1 0 377.432 2.927 20 0 GFADRO COCCN(Cc1cc(Br)cs1)C(=O)NCC1=CC[NH2+]CC1 ZINC000418539526 563220317 /nfs/dbraw/zinc/22/03/17/563220317.db2.gz NCGJVIWNKHANFJ-UHFFFAOYSA-N 1 0 388.331 2.588 20 0 GFADRO COCCN(Cc1sccc1Br)C(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000418600863 563220951 /nfs/dbraw/zinc/22/09/51/563220951.db2.gz TZIXSPBVJPPJDP-YPMHNXCESA-N 1 0 390.347 2.667 20 0 GFADRO CC1(C)CCC[NH2+][C@H]1CNC(=O)N[C@H](CO)c1cccc(Br)c1 ZINC000418647561 563221606 /nfs/dbraw/zinc/22/16/06/563221606.db2.gz UIINJUBCSYCFBM-CABCVRRESA-N 1 0 384.318 2.560 20 0 GFADRO C[C@H](CCCC[NH3+])NC(=O)N1CCN(Cc2ccc(Br)cc2)CC1 ZINC000418672019 563222352 /nfs/dbraw/zinc/22/23/52/563222352.db2.gz LTJMBLOAHYTLBN-OAHLLOKOSA-N 1 0 397.361 2.794 20 0 GFADRO C[C@@H](CCC[NH3+])NC(=O)N1CCN(C(=O)c2c(Cl)cccc2Cl)CC1 ZINC000418706527 563222621 /nfs/dbraw/zinc/22/26/21/563222621.db2.gz OTGHMAPKTOMFRW-LBPRGKRZSA-N 1 0 387.311 2.588 20 0 GFADRO C[C@@H](NC(=O)N[C@@H](CO)c1ccc(Br)cc1C(F)(F)F)[C@H](C)[NH3+] ZINC000418732574 563223651 /nfs/dbraw/zinc/22/36/51/563223651.db2.gz UWKCFWPWIDMFRU-SXMVTHIZSA-N 1 0 398.223 2.536 20 0 GFADRO O=S(=O)(NCC1CC[NH+](C2CC2)CC1)c1sccc1Br ZINC000277744891 563224165 /nfs/dbraw/zinc/22/41/65/563224165.db2.gz POACOMWXSIWTTE-UHFFFAOYSA-N 1 0 379.345 2.663 20 0 GFADRO O=C1CCCN1CC1CC[NH+](C[C@@H](O)c2cccc(Br)c2)CC1 ZINC000369781629 563224776 /nfs/dbraw/zinc/22/47/76/563224776.db2.gz HWHZOOYFVLPVLK-QGZVFWFLSA-N 1 0 381.314 2.817 20 0 GFADRO Cc1cc(Br)c(S(=O)(=O)NCC2CC[NH+](C3CC3)CC2)s1 ZINC000277756224 563224740 /nfs/dbraw/zinc/22/47/40/563224740.db2.gz QUARJDKEDHEFKK-UHFFFAOYSA-N 1 0 393.372 2.972 20 0 GFADRO COc1cc(C[NH2+][C@@H](C)CCCCO)cc(I)c1OC ZINC000294994531 563224813 /nfs/dbraw/zinc/22/48/13/563224813.db2.gz HXEIVELAGSCMAG-NSHDSACASA-N 1 0 393.265 2.949 20 0 GFADRO COCCN(Cc1ccc(Br)s1)C(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000418801489 563225814 /nfs/dbraw/zinc/22/58/14/563225814.db2.gz XIQCXIUFXJRUMP-NEPJUHHUSA-N 1 0 390.347 2.796 20 0 GFADRO O=C(NCCNc1cccc(Br)c1)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000418804160 563225892 /nfs/dbraw/zinc/22/58/92/563225892.db2.gz WTCJEYICYQKCQT-XJKCOSOUSA-N 1 0 381.318 2.548 20 0 GFADRO [NH3+]C[C@@H](NC(=O)C(=O)N[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1)C1CCCC1 ZINC000418815647 563226487 /nfs/dbraw/zinc/22/64/87/563226487.db2.gz JARMAUMYARHEDD-APHBMKBZSA-N 1 0 384.307 2.599 20 0 GFADRO CS(=O)(=O)[C@H]1CCCC[N@H+](C[C@@H](O)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000277816587 563227157 /nfs/dbraw/zinc/22/71/57/563227157.db2.gz QNCPDNYBUQDFDQ-HOTGVXAUSA-N 1 0 379.444 2.508 20 0 GFADRO COc1cc(OC)c(C[C@@H](C)[NH2+]Cc2c(Br)cnn2C)c(OC)c1 ZINC000295062490 563227293 /nfs/dbraw/zinc/22/72/93/563227293.db2.gz QILANQKWRMXJBX-LLVKDONJSA-N 1 0 398.301 2.929 20 0 GFADRO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N[C@H](C)c1cc(F)c(Cl)cc1Cl ZINC000418856961 563228040 /nfs/dbraw/zinc/22/80/40/563228040.db2.gz XYKAAIVWQPCUEK-NXEZZACHSA-N 1 0 378.275 2.799 20 0 GFADRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)N[C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000418896715 563229531 /nfs/dbraw/zinc/22/95/31/563229531.db2.gz VZUQGPANTOIXPH-IMIFBBOLSA-N 1 0 384.307 2.551 20 0 GFADRO C[C@H]1CN(C(=O)C(=O)N[C@H]2C[C@H](c3ccc(Cl)c(Cl)c3)C2)[C@@H](C)C[NH2+]1 ZINC000418896920 563229535 /nfs/dbraw/zinc/22/95/35/563229535.db2.gz WHHYJTBSFYWAHO-IMIFBBOLSA-N 1 0 384.307 2.564 20 0 GFADRO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@@H]1CCCN(CCCO)C1 ZINC000295127914 563230098 /nfs/dbraw/zinc/23/00/98/563230098.db2.gz OEAZZIAYCNTZNY-RHSMWYFYSA-N 1 0 398.345 2.603 20 0 GFADRO Cc1csc(C(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)c1I ZINC000370013602 563230926 /nfs/dbraw/zinc/23/09/26/563230926.db2.gz ZKOWWOBMMATASK-LLVKDONJSA-N 1 0 390.290 2.971 20 0 GFADRO CN(CC[NH3+])C(=O)C(=O)NCC1(c2ccc(Cl)cc2Cl)CCCCC1 ZINC000419150735 563234841 /nfs/dbraw/zinc/23/48/41/563234841.db2.gz LJCPIYRNXPCFQQ-UHFFFAOYSA-N 1 0 386.323 2.729 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CCSc3ccc(Cl)cc32)C1 ZINC000419222075 563235245 /nfs/dbraw/zinc/23/52/45/563235245.db2.gz WJHIYTRZJVPZHB-ZOWXZIJZSA-N 1 0 381.929 2.579 20 0 GFADRO [NH3+]C[C@H](NC(=O)C(=O)N[C@H]1CCSc2ccc(Cl)cc21)C1CCCC1 ZINC000419216458 563235508 /nfs/dbraw/zinc/23/55/08/563235508.db2.gz NSYMQFMBYVTHKN-GJZGRUSLSA-N 1 0 381.929 2.627 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]C[C@H]1CCCCO1 ZINC000295212060 563235763 /nfs/dbraw/zinc/23/57/63/563235763.db2.gz ARAHYCJFCALBFZ-SWLSCSKDSA-N 1 0 385.302 2.621 20 0 GFADRO C[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000419281497 563236234 /nfs/dbraw/zinc/23/62/34/563236234.db2.gz LFNMVMBYPNDRKO-YRGRVCCFSA-N 1 0 386.323 2.545 20 0 GFADRO C[C@@H]1CN(CC(=O)Nc2cc(Cl)c(Cl)cc2Cl)[C@@H](C)C[N@@H+]1CCO ZINC000419330556 563236731 /nfs/dbraw/zinc/23/67/31/563236731.db2.gz GBYCPWGBAJSSGN-MNOVXSKESA-N 1 0 394.730 2.972 20 0 GFADRO Cc1ccc(Br)c(S(=O)(=O)N2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000370233831 563236939 /nfs/dbraw/zinc/23/69/39/563236939.db2.gz SSPCAKCRFSZHPB-DZGCQCFKSA-N 1 0 387.343 2.910 20 0 GFADRO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1Cc1ncc(-c2ccccc2Br)o1 ZINC000419332096 563236836 /nfs/dbraw/zinc/23/68/36/563236836.db2.gz SPDMIFLYUIQKDY-ZIAGYGMSSA-N 1 0 394.313 2.991 20 0 GFADRO C[C@H]([NH2+][C@H]1CCOC[C@H]1C)C(=O)Nc1cccc(I)c1 ZINC000278039884 563237537 /nfs/dbraw/zinc/23/75/37/563237537.db2.gz XLWBGNOCEVHSTO-SUNKGSAMSA-N 1 0 388.249 2.633 20 0 GFADRO C[C@H](NC(=O)CN1C[C@@H](C)[N@H+](CCO)C[C@H]1C)c1ccc(Cl)cc1Cl ZINC000419345931 563238776 /nfs/dbraw/zinc/23/87/76/563238776.db2.gz UPUQFZXYIDXSCG-MCIONIFRSA-N 1 0 388.339 2.558 20 0 GFADRO COCCCC[N@H+](C)[C@H](C)C(=O)Nc1cccc(I)c1 ZINC000419379144 563239378 /nfs/dbraw/zinc/23/93/78/563239378.db2.gz FEFGPBZNLHHYCL-GFCCVEGCSA-N 1 0 390.265 2.977 20 0 GFADRO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)NCc1nc2cc(Cl)ccc2s1 ZINC000419448128 563240397 /nfs/dbraw/zinc/24/03/97/563240397.db2.gz XBYCNOSYEPMVNU-VXGBXAGGSA-N 1 0 382.917 2.546 20 0 GFADRO C[C@@H]([NH3+])C1CCN(C(=O)C(=O)N[C@@H](C)Cc2c(Cl)cccc2Cl)CC1 ZINC000419553896 563241525 /nfs/dbraw/zinc/24/15/25/563241525.db2.gz AXHLPQZBJRCUFJ-NWDGAFQWSA-N 1 0 386.323 2.626 20 0 GFADRO Cc1nc(C(F)(F)F)c(CN2CCC[C@H](C[NH+]3CCN(C)CC3)C2)s1 ZINC000370393468 563242515 /nfs/dbraw/zinc/24/25/15/563242515.db2.gz BTMBZGSHFCUHTL-CQSZACIVSA-N 1 0 376.492 2.930 20 0 GFADRO CCCN(C(=O)C(=O)N[C@H](C)Cc1c(Cl)cccc1Cl)[C@@H]1CC[NH2+]C1 ZINC000419595320 563243032 /nfs/dbraw/zinc/24/30/32/563243032.db2.gz OVIHDPQXIPAEDM-CHWSQXEVSA-N 1 0 386.323 2.641 20 0 GFADRO C[NH2+][C@H](C)CNC(=O)C(=O)N[C@@H](C)c1ccc(-c2ccc(Cl)cc2)s1 ZINC000419616477 563243798 /nfs/dbraw/zinc/24/37/98/563243798.db2.gz STBGRXYRMXWTTQ-NEPJUHHUSA-N 1 0 379.913 2.970 20 0 GFADRO CCC(CC)(CNC(=O)C(=O)N1CC[C@H]([NH3+])C1)c1ccc(Cl)c(Cl)c1 ZINC000419646905 563244565 /nfs/dbraw/zinc/24/45/65/563244565.db2.gz JMBIOWUJANKAMV-ZDUSSCGKSA-N 1 0 386.323 2.727 20 0 GFADRO COc1cc(Cl)c(Cl)cc1NC(=O)N1CCC[N@@H+]([C@H](C)CO)CC1 ZINC000370516412 563246592 /nfs/dbraw/zinc/24/65/92/563246592.db2.gz BZKZZWGGCLWIAD-LLVKDONJSA-N 1 0 376.284 2.922 20 0 GFADRO CCn1nc(C)c(C[NH2+]CCc2cn3cc(Br)cc(C)c3n2)n1 ZINC000295449062 563248450 /nfs/dbraw/zinc/24/84/50/563248450.db2.gz QBFAPIQGFQNXHC-UHFFFAOYSA-N 1 0 377.290 2.657 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)Cc1cc[nH]c(=O)c1Br)c1cccs1 ZINC000278292503 563248861 /nfs/dbraw/zinc/24/88/61/563248861.db2.gz AFXKHZQBVPILSJ-NSHDSACASA-N 1 0 384.299 2.573 20 0 GFADRO CC[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000419753246 563249415 /nfs/dbraw/zinc/24/94/15/563249415.db2.gz NNOCVZJPKHWZMY-KCPJHIHWSA-N 1 0 386.323 2.687 20 0 GFADRO CC[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000419754617 563249583 /nfs/dbraw/zinc/24/95/83/563249583.db2.gz PDOVMLBGYMUIRF-SGIREYDYSA-N 1 0 386.323 2.545 20 0 GFADRO CC[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000419771028 563249982 /nfs/dbraw/zinc/24/99/82/563249982.db2.gz LVZGKTRRETUXQD-IUODEOHRSA-N 1 0 386.323 2.547 20 0 GFADRO CCC[C@H](O)[C@@H](CO)[NH2+]Cc1cc(Br)cc(Br)c1 ZINC000419807258 563251122 /nfs/dbraw/zinc/25/11/22/563251122.db2.gz FOOPTJQCXNTHDJ-OLZOCXBDSA-N 1 0 381.108 2.823 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)[C@H](c2ccc(Cl)cc2Cl)N2CCOCC2)CC[NH2+]1 ZINC000278349346 563251223 /nfs/dbraw/zinc/25/12/23/563251223.db2.gz YWXKGWGYMLMGAY-IFIJOSMWSA-N 1 0 386.323 2.623 20 0 GFADRO C[C@H](c1ccccc1Br)N(C)C(=O)C(=O)NCC1([NH3+])CCCCC1 ZINC000419801450 563251221 /nfs/dbraw/zinc/25/12/21/563251221.db2.gz JQBSAFVGFGPMHC-CYBMUJFWSA-N 1 0 396.329 2.746 20 0 GFADRO COCCO[C@H]1C[C@H](CO)C[N@H+](CCOc2ccc(Cl)cc2Cl)C1 ZINC000278358202 563251825 /nfs/dbraw/zinc/25/18/25/563251825.db2.gz RDCGLLXYHUYXQR-ZFWWWQNUSA-N 1 0 378.296 2.718 20 0 GFADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)c1cc(F)cc(Br)c1 ZINC000278365566 563251862 /nfs/dbraw/zinc/25/18/62/563251862.db2.gz FTXZVOWMGRSJHG-LBPRGKRZSA-N 1 0 385.277 2.914 20 0 GFADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NCc1ccccc1Br ZINC000278368940 563252116 /nfs/dbraw/zinc/25/21/16/563252116.db2.gz BRMJLFLPUOYWKP-AWEZNQCLSA-N 1 0 396.329 2.844 20 0 GFADRO Cn1ncc(Br)c1CNC1CC[NH+](CCc2ccccc2)CC1 ZINC000278376045 563252377 /nfs/dbraw/zinc/25/23/77/563252377.db2.gz LAKDHZMANQCPIO-UHFFFAOYSA-N 1 0 377.330 2.979 20 0 GFADRO C[C@H]1c2cc(Cl)c(Cl)cc2CCN1C(=O)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000419856974 563252426 /nfs/dbraw/zinc/25/24/26/563252426.db2.gz JQNPAQFFFYXNSE-NWDGAFQWSA-N 1 0 384.307 2.555 20 0 GFADRO O=C(NC[C@H]1CCC[C@@H]1[NH+]1CCOCC1)c1ccc(Br)cc1F ZINC000370758243 563254139 /nfs/dbraw/zinc/25/41/39/563254139.db2.gz JXUHYQNFBSODGQ-WBMJQRKESA-N 1 0 385.277 2.819 20 0 GFADRO O=C(NC[C@@H]1CCC[C@H]1[NH+]1CCOCC1)c1cc(F)ccc1Br ZINC000370761136 563254768 /nfs/dbraw/zinc/25/47/68/563254768.db2.gz VFKQNRFDHXRDQR-BLLLJJGKSA-N 1 0 385.277 2.819 20 0 GFADRO Cc1cc(Br)ccc1C(=O)NC[C@@H]1CCC[C@@H]1[NH+]1CCOCC1 ZINC000370771692 563254805 /nfs/dbraw/zinc/25/48/05/563254805.db2.gz JCMUNASULVOJJZ-YOEHRIQHSA-N 1 0 381.314 2.988 20 0 GFADRO C[NH+](C)CC[C@@](C)(O)CNC(=O)c1cc(Cl)c(F)cc1Br ZINC000419994351 563256078 /nfs/dbraw/zinc/25/60/78/563256078.db2.gz JDJMLNHDLJRGFC-CQSZACIVSA-N 1 0 381.673 2.674 20 0 GFADRO C[C@@H](CC(=O)NC[C@@](C)(O)CC[NH+](C)C)c1ccc(F)c(Br)c1 ZINC000419998073 563256134 /nfs/dbraw/zinc/25/61/34/563256134.db2.gz MMSMZJUOYWZFJU-SJCJKPOMSA-N 1 0 389.309 2.901 20 0 GFADRO CSc1ccc([C@H](CNC(=O)c2c(Br)cnn2C)[NH+](C)C)cc1 ZINC000295676404 563257261 /nfs/dbraw/zinc/25/72/61/563257261.db2.gz VAGKKIIKXKLPOD-AWEZNQCLSA-N 1 0 397.342 2.937 20 0 GFADRO CN(C(=O)c1ccc(Br)cc1F)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000370829147 563257502 /nfs/dbraw/zinc/25/75/02/563257502.db2.gz DUSIKYHTAUBNRJ-OAHLLOKOSA-N 1 0 398.320 2.829 20 0 GFADRO NC(=O)c1ccccc1N1CC[C@@H]([NH2+]Cc2csc(Br)c2)C1 ZINC000370830464 563257514 /nfs/dbraw/zinc/25/75/14/563257514.db2.gz NJQPJFLCOJASIR-GFCCVEGCSA-N 1 0 380.311 2.978 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)C(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)CC[NH2+]1 ZINC000420140904 563258819 /nfs/dbraw/zinc/25/88/19/563258819.db2.gz ZAKFHCKPRDSCKB-KFNAQCHYSA-N 1 0 384.307 2.914 20 0 GFADRO C[C@H](NC(=O)Cc1cc[nH]c(=O)c1Br)[C@H](c1ccccc1)[NH+](C)C ZINC000278495294 563258990 /nfs/dbraw/zinc/25/89/90/563258990.db2.gz KFURJWKLNFFKPF-YVEFUNNKSA-N 1 0 392.297 2.900 20 0 GFADRO CCCC[C@@H](C[NH3+])NC(=O)C(=O)N(Cc1ccc(Br)cc1)C(C)C ZINC000420117847 563258974 /nfs/dbraw/zinc/25/89/74/563258974.db2.gz HWTNZVODBDYWPN-INIZCTEOSA-N 1 0 398.345 2.820 20 0 GFADRO CN(C(=O)c1c(Br)cnn1C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000295753035 563260900 /nfs/dbraw/zinc/26/09/00/563260900.db2.gz HFWJHWDXOARIEZ-UHFFFAOYSA-N 1 0 391.313 2.919 20 0 GFADRO C[C@@H]1CC[NH2+][C@H](C)[C@H]1NCC(=O)Nc1c(F)cc(F)cc1Br ZINC000420358215 563262909 /nfs/dbraw/zinc/26/29/09/563262909.db2.gz FDAZMLRRWXGIAQ-NUPCCRGMSA-N 1 0 376.245 2.642 20 0 GFADRO O=C(CN1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)Nc1ccc(Br)cc1F ZINC000420402045 563262962 /nfs/dbraw/zinc/26/29/62/563262962.db2.gz PWZTXIPWGZHRSW-MLGOLLRUSA-N 1 0 384.293 2.991 20 0 GFADRO NC(=O)[C@H](c1ccc(Br)cc1)N1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1 ZINC000420385930 563263227 /nfs/dbraw/zinc/26/32/27/563263227.db2.gz HMWILXFJVBERDP-UAGQMJEPSA-N 1 0 392.272 2.541 20 0 GFADRO O=S(=O)(Cc1ccc(Br)cc1)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420467384 563264385 /nfs/dbraw/zinc/26/43/85/563264385.db2.gz SEUXMHNMGVQUBL-GOEBONIOSA-N 1 0 387.343 2.743 20 0 GFADRO Cc1cc(S(=O)(=O)N[C@H]2CC[NH2+]CC2(C)C)c(F)cc1Br ZINC000420460320 563264455 /nfs/dbraw/zinc/26/44/55/563264455.db2.gz KVWNSGYXMFZHPI-ZDUSSCGKSA-N 1 0 379.295 2.563 20 0 GFADRO C[C@H]1CCN(S(=O)(=O)c2ccc(Cl)cc2Br)C[C@H]1C[NH3+] ZINC000420474045 563265033 /nfs/dbraw/zinc/26/50/33/563265033.db2.gz DYAXTLRSCHWFFL-VHSXEESVSA-N 1 0 381.723 2.708 20 0 GFADRO Cc1cc(C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)ccc1Br ZINC000371089292 563265498 /nfs/dbraw/zinc/26/54/98/563265498.db2.gz RDAXOSZDBHLRKK-MRXNPFEDSA-N 1 0 380.330 2.610 20 0 GFADRO C[C@@H]1C[N@H+](CCCNC(=O)Cc2cc(Br)ccc2F)CCCO1 ZINC000278687936 563267024 /nfs/dbraw/zinc/26/70/24/563267024.db2.gz UQJLSPRMAVEGAC-CYBMUJFWSA-N 1 0 387.293 2.748 20 0 GFADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1c[nH]c2cccc(Br)c12 ZINC000371199321 563268481 /nfs/dbraw/zinc/26/84/81/563268481.db2.gz SLSYJWHLZFTJQD-RYUDHWBXSA-N 1 0 378.270 2.523 20 0 GFADRO O=CN1CCC([NH2+]CC2(c3ccc(Br)cc3)CCOCC2)CC1 ZINC000278760454 563268823 /nfs/dbraw/zinc/26/88/23/563268823.db2.gz OOZAGLRPLCONSS-UHFFFAOYSA-N 1 0 381.314 2.708 20 0 GFADRO COCCO[C@@H]1C[C@H](CO)C[N@H+](C[C@@H](C)c2cccc(Br)c2)C1 ZINC000278763323 563269502 /nfs/dbraw/zinc/26/95/02/563269502.db2.gz UAWHGLOJDZFWFE-RVKKMQEKSA-N 1 0 386.330 2.898 20 0 GFADRO O=S(=O)(c1cc(F)ccc1OC(F)F)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000420669896 563271266 /nfs/dbraw/zinc/27/12/66/563271266.db2.gz GWIOWQIFUDZMAC-LBPRGKRZSA-N 1 0 378.416 2.534 20 0 GFADRO CC(C)(C)[NH+]1CCC(NS(=O)(=O)c2cc(F)ccc2OC(F)F)CC1 ZINC000420667266 563271704 /nfs/dbraw/zinc/27/17/04/563271704.db2.gz UEZMBFWCMJGRGV-UHFFFAOYSA-N 1 0 380.432 2.968 20 0 GFADRO O=S(=O)(c1cc(F)ccc1OC(F)F)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000420676734 563272959 /nfs/dbraw/zinc/27/29/59/563272959.db2.gz LQUNVCGCLUEOFT-ZDUSSCGKSA-N 1 0 378.416 2.676 20 0 GFADRO C[N@H+]1CC=C(CNC(=O)N[C@@H]2CCN(c3cccc(Br)c3)C2)CC1 ZINC000278866742 563274232 /nfs/dbraw/zinc/27/42/32/563274232.db2.gz FJNHJHCJUIYUCO-MRXNPFEDSA-N 1 0 393.329 2.589 20 0 GFADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)c1ccc(F)cc1Br ZINC000278942142 563276494 /nfs/dbraw/zinc/27/64/94/563276494.db2.gz XQXQQTBXQHGRQN-GFCCVEGCSA-N 1 0 385.277 2.914 20 0 GFADRO C[N@@H+]1CC[C@]2(CCN(S(=O)(=O)c3cc(Cl)ccc3OC(F)F)C2)C1 ZINC000420725162 563279375 /nfs/dbraw/zinc/27/93/75/563279375.db2.gz MCZFUWCCWWTRMS-HNNXBMFYSA-N 1 0 380.844 2.658 20 0 GFADRO Cc1nc(-c2ccc(S(=O)(=O)N3CC[C@H]4CC[N@@H+](C)[C@H]4C3)s2)cs1 ZINC000371506683 563279863 /nfs/dbraw/zinc/27/98/63/563279863.db2.gz ULQHNCIGGOZAFN-OCCSQVGLSA-N 1 0 383.564 2.895 20 0 GFADRO CCOc1ccc(Br)cc1NC(=O)c1cc([C@@H]2CC[NH2+]C2)[nH]n1 ZINC000279048724 563281877 /nfs/dbraw/zinc/28/18/77/563281877.db2.gz REYULUHICGCUPT-SNVBAGLBSA-N 1 0 379.258 2.900 20 0 GFADRO C[NH+](C)C1CCC(NS(=O)(=O)c2ccc(OCC(F)(F)F)cc2)CC1 ZINC000420752236 563283759 /nfs/dbraw/zinc/28/37/59/563283759.db2.gz YDTCXKKFEZVYOQ-UHFFFAOYSA-N 1 0 380.432 2.779 20 0 GFADRO C[NH+](C)C/C=C/C(=O)Nc1cc(Br)cc(C(=O)N2CCCC2)c1 ZINC000279148552 563285849 /nfs/dbraw/zinc/28/58/49/563285849.db2.gz GYWQXVQPJXTJFE-AATRIKPKSA-N 1 0 380.286 2.741 20 0 GFADRO CC[N@H+](CCNC(=O)N1CCC(Cn2cc(Br)cn2)CC1)C1CC1 ZINC000371731024 563286049 /nfs/dbraw/zinc/28/60/49/563286049.db2.gz BUHGQKCPLGALCC-UHFFFAOYSA-N 1 0 398.349 2.552 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000279196345 563287229 /nfs/dbraw/zinc/28/72/29/563287229.db2.gz MABFLYZIDAXYEZ-STQMWFEESA-N 1 0 382.302 2.543 20 0 GFADRO C[C@@H](NC(=O)C(=O)N(C)C[C@H]1CCC[N@@H+]1C)c1cc(F)c(Cl)cc1Cl ZINC000420832492 563287959 /nfs/dbraw/zinc/28/79/59/563287959.db2.gz BKGPIBIRLZYVEA-GHMZBOCLSA-N 1 0 390.286 2.862 20 0 GFADRO C[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000296569932 563293022 /nfs/dbraw/zinc/29/30/22/563293022.db2.gz SWGLZCLRRKOZIT-WAAKLRNESA-N 1 0 392.352 2.917 20 0 GFADRO NS(=O)(=O)CCC[N@@H+]1CCCC[C@@H]1Cc1cccc(Br)c1 ZINC000421040016 563294478 /nfs/dbraw/zinc/29/44/78/563294478.db2.gz MSUHHGNHBGSJHS-OAHLLOKOSA-N 1 0 375.332 2.525 20 0 GFADRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)Nc1ccc(F)cc1I ZINC000421075322 563295588 /nfs/dbraw/zinc/29/55/88/563295588.db2.gz ZBUOTXVTSLSTQP-NSHDSACASA-N 1 0 391.228 2.988 20 0 GFADRO O=C(Cc1cc(Br)ccc1F)NC[C@H]1CCC[C@@H]1[NH+]1CCOCC1 ZINC000372111685 563296211 /nfs/dbraw/zinc/29/62/11/563296211.db2.gz WGRRPWNDGJDRSR-DYVFJYSZSA-N 1 0 399.304 2.748 20 0 GFADRO CN1CC[NH+](C2(CNC(=O)CSCC(F)(F)F)CCCCCC2)CC1 ZINC000372342778 563302574 /nfs/dbraw/zinc/30/25/74/563302574.db2.gz YMFRITVHOZRDRN-UHFFFAOYSA-N 1 0 381.508 2.739 20 0 GFADRO O=S1(=O)CC[C@H](C[NH2+]C2(c3cccc(C(F)(F)F)c3)CCOCC2)C1 ZINC000279664981 563305443 /nfs/dbraw/zinc/30/54/43/563305443.db2.gz DJNQHJUPQVRJHQ-CYBMUJFWSA-N 1 0 377.428 2.735 20 0 GFADRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)Nc1ccc(Cl)c(Br)c1 ZINC000421303289 563306571 /nfs/dbraw/zinc/30/65/71/563306571.db2.gz RTQHELZTMIEWEW-NSHDSACASA-N 1 0 388.693 2.594 20 0 GFADRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000421308957 563306715 /nfs/dbraw/zinc/30/67/15/563306715.db2.gz ZFKXOPSCKPKSKL-LLVKDONJSA-N 1 0 377.794 2.850 20 0 GFADRO Cc1csc([C@@H](NC(=O)NC[C@]2([NH+](C)C)CCSC2)C(F)(F)F)n1 ZINC000296887761 563307056 /nfs/dbraw/zinc/30/70/56/563307056.db2.gz GXTWNPFVUVCAQQ-ZWNOBZJWSA-N 1 0 382.477 2.791 20 0 GFADRO Cc1cc(C(=O)N(CCC[NH+](C)C)[C@H]2CCS(=O)(=O)C2)c(C)cc1Cl ZINC000279718913 563307434 /nfs/dbraw/zinc/30/74/34/563307434.db2.gz BNVNONBVTBDOPK-HNNXBMFYSA-N 1 0 386.945 2.538 20 0 GFADRO COc1cc(Cl)c(S(=O)(=O)NCC2CC[NH+](C3CC3)CC2)cc1OC ZINC000279714323 563307489 /nfs/dbraw/zinc/30/74/89/563307489.db2.gz IHEAUUVZJFJOSX-UHFFFAOYSA-N 1 0 388.917 2.510 20 0 GFADRO CCCN1C[C@H](C[NH2+]Cc2cc(Br)c(O)c(OCC)c2)CC1=O ZINC000421355044 563308722 /nfs/dbraw/zinc/30/87/22/563308722.db2.gz TUHKBNUOWRYDOA-ZDUSSCGKSA-N 1 0 385.302 2.902 20 0 GFADRO CC(=O)N[C@H]1CC[N@H+](Cc2cn(-c3ccc(Br)cc3)nc2C)C1 ZINC000421392180 563309855 /nfs/dbraw/zinc/30/98/55/563309855.db2.gz QIPNNKSGPPKLCO-INIZCTEOSA-N 1 0 377.286 2.654 20 0 GFADRO CC(C)(O)C[N@@H+]1CCCN(C[C@@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000372555727 563310080 /nfs/dbraw/zinc/31/00/80/563310080.db2.gz UAGAANCPXWMIFA-OAHLLOKOSA-N 1 0 391.339 2.512 20 0 GFADRO CC[C@H](C)[NH+]1CCN(C(=O)c2cccnc2-n2cc(Br)cn2)CC1 ZINC000297014180 563313033 /nfs/dbraw/zinc/31/30/33/563313033.db2.gz RGQTZUAXSPRHED-ZDUSSCGKSA-N 1 0 392.301 2.586 20 0 GFADRO CS(=O)(=O)C1(C[NH2+]C2CCN(C(=O)c3ccccc3Cl)CC2)CCC1 ZINC000279950746 563315783 /nfs/dbraw/zinc/31/57/83/563315783.db2.gz ZOQPPIXCKGIMEC-UHFFFAOYSA-N 1 0 384.929 2.502 20 0 GFADRO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)c1cnnn1-c1c(Cl)cccc1Cl ZINC000279960120 563316532 /nfs/dbraw/zinc/31/65/32/563316532.db2.gz CDMGFRGKRGYGJM-LLVKDONJSA-N 1 0 380.279 2.788 20 0 GFADRO [NH3+][C@@H]1CCC[C@]12CCN(C(=O)c1ccc(F)cc1I)C2 ZINC000372779444 563317245 /nfs/dbraw/zinc/31/72/45/563317245.db2.gz DXVCNIXLEJYLAU-UKRRQHHQSA-N 1 0 388.224 2.774 20 0 GFADRO O=C(NC1CC[NH+](C2CC2)CC1)c1cnnn1-c1c(Cl)cccc1Cl ZINC000279994707 563317520 /nfs/dbraw/zinc/31/75/20/563317520.db2.gz MCAIVOHQWFCFQN-UHFFFAOYSA-N 1 0 380.279 2.931 20 0 GFADRO COCCOC[C@H](O)C[N@@H+]1CCC[C@@H]1c1cc(Br)ccc1OC ZINC000297149573 563317668 /nfs/dbraw/zinc/31/76/68/563317668.db2.gz OGAGYFIIPHWXJX-GDBMZVCRSA-N 1 0 388.302 2.619 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCC[C@@H]1CCO)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000279996176 563318545 /nfs/dbraw/zinc/31/85/45/563318545.db2.gz FQEZPKJYLHPWOF-IMSIIYSGSA-N 1 0 381.325 2.843 20 0 GFADRO C[C@H](NC(=O)c1ccnc(OCC[NH+](C)C)c1)c1ccc(Br)cn1 ZINC000280018035 563319116 /nfs/dbraw/zinc/31/91/16/563319116.db2.gz NPFOGOBPZNKOFZ-LBPRGKRZSA-N 1 0 393.285 2.671 20 0 GFADRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)c1cc(I)ccc1F ZINC000421710972 563319200 /nfs/dbraw/zinc/31/92/00/563319200.db2.gz NIFMQFKRJCCVGF-NSHDSACASA-N 1 0 376.213 2.597 20 0 GFADRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)c1cc(=O)[nH]c2c(Br)cccc12 ZINC000421710242 563319243 /nfs/dbraw/zinc/31/92/43/563319243.db2.gz JNXRHNVKEGPBMB-NSHDSACASA-N 1 0 378.270 2.869 20 0 GFADRO Cc1c(C(=O)N2CCC[C@@H]([NH3+])[C@H]2C)cnn1-c1cccc(Br)c1 ZINC000297279060 563322477 /nfs/dbraw/zinc/32/24/77/563322477.db2.gz BOPYSTGPQXVTHW-MLGOLLRUSA-N 1 0 377.286 2.895 20 0 GFADRO O=S1(=O)CC[C@@H]([NH2+]C2CCN(Cc3cscn3)CC2)c2ccccc21 ZINC000372945903 563323545 /nfs/dbraw/zinc/32/35/45/563323545.db2.gz FOXJURNIPDFGCB-QGZVFWFLSA-N 1 0 377.535 2.616 20 0 GFADRO O=S1(=O)CC[C@H]([NH2+]C2CCN(Cc3csc(Cl)c3Cl)CC2)C1 ZINC000372979490 563324066 /nfs/dbraw/zinc/32/40/66/563324066.db2.gz IOCPNDNGRVCHHU-LBPRGKRZSA-N 1 0 383.366 2.796 20 0 GFADRO O=C(c1ccc(I)c(Cl)c1)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000373056642 563327069 /nfs/dbraw/zinc/32/70/69/563327069.db2.gz MAACJJCNSZVKSN-NOZJJQNGSA-N 1 0 390.652 2.769 20 0 GFADRO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)[C@H]1CCCN1C(=O)c1ccc(Cl)s1 ZINC000373079591 563327788 /nfs/dbraw/zinc/32/77/88/563327788.db2.gz XMJQVHDAJGIZRC-TZMCWYRMSA-N 1 0 381.929 2.607 20 0 GFADRO CC(C)[C@@H]1OCCC[C@@H]1C[NH2+]C1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000373141280 563329761 /nfs/dbraw/zinc/32/97/61/563329761.db2.gz PHUNWFWETJSNKY-QAPCUYQASA-N 1 0 386.583 2.942 20 0 GFADRO C[C@H](CNC(=O)N(C)C[C@@H](O)c1ccccc1Br)[N@H+](C)C1CC1 ZINC000297568588 563329959 /nfs/dbraw/zinc/32/99/59/563329959.db2.gz GYHLWRKRCIKIBH-MLGOLLRUSA-N 1 0 384.318 2.607 20 0 GFADRO COc1cc(Br)c(C[NH2+][C@@H]2CCO[C@]3(CCOC3)C2)c(OC)c1 ZINC000373153197 563330294 /nfs/dbraw/zinc/33/02/94/563330294.db2.gz LTCKGUIYYKNGOX-SJKOYZFVSA-N 1 0 386.286 2.894 20 0 GFADRO CCN(CC)S(=O)(=O)c1ccc(CC[NH2+][C@@H]2C[C@H](C)n3ccnc32)s1 ZINC000297631664 563331512 /nfs/dbraw/zinc/33/15/12/563331512.db2.gz JHNMLXIRGSUARD-DZGCQCFKSA-N 1 0 382.555 2.813 20 0 GFADRO COC(=O)c1ccc(CNC(=O)N(CC[NH+](C)C)Cc2cccs2)s1 ZINC000422247257 563334227 /nfs/dbraw/zinc/33/42/27/563334227.db2.gz HTVZOPVRDXEZMM-UHFFFAOYSA-N 1 0 381.523 2.870 20 0 GFADRO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000297788708 563335780 /nfs/dbraw/zinc/33/57/80/563335780.db2.gz JGGIMCHBGSQPOB-GOSISDBHSA-N 1 0 384.307 2.506 20 0 GFADRO CS(=O)(=O)c1cccc(Cl)c1C[NH2+]CC[C@H]1C(=O)Nc2ccccc21 ZINC000373385112 563336667 /nfs/dbraw/zinc/33/66/67/563336667.db2.gz SOSLLXDVDYEEDB-CYBMUJFWSA-N 1 0 378.881 2.959 20 0 GFADRO C[C@H]([NH2+]C1CCSCC1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000280425066 563336657 /nfs/dbraw/zinc/33/66/57/563336657.db2.gz AVDIQXUGCPQEFV-VIFPVBQESA-N 1 0 379.345 2.643 20 0 GFADRO Cc1cc(Br)cn2cc(CNC(=O)N[C@H]3CCOC3(C)C)nc12 ZINC000297830535 563337114 /nfs/dbraw/zinc/33/71/14/563337114.db2.gz NIKYIXKGXUWIBS-ZDUSSCGKSA-N 1 0 381.274 2.772 20 0 GFADRO O=C(N[C@@H](CO)c1cccc(Br)c1)NC1CC([NH+]2CCCCC2)C1 ZINC000373473774 563339614 /nfs/dbraw/zinc/33/96/14/563339614.db2.gz JKLLHDLLGHKDNW-JCYILVPMSA-N 1 0 396.329 2.799 20 0 GFADRO O=C(Nc1cc(F)cc(F)c1Br)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000297957233 563341008 /nfs/dbraw/zinc/34/10/08/563341008.db2.gz XPCSTSHWMZBGQW-LLVKDONJSA-N 1 0 392.244 2.696 20 0 GFADRO O=C(N[C@@H]1COc2cc(F)c(Br)cc21)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000373584903 563342922 /nfs/dbraw/zinc/34/29/22/563342922.db2.gz WBKHNFYOHWLQON-JRPNMDOOSA-N 1 0 398.276 2.948 20 0 GFADRO C[C@H]([NH2+]CCC(=O)Nc1sccc1C(N)=O)[C@@H]1OCCc2sccc21 ZINC000298091119 563344810 /nfs/dbraw/zinc/34/48/10/563344810.db2.gz IDSAOYNAXJQZDC-BONVTDFDSA-N 1 0 379.507 2.529 20 0 GFADRO C[C@@H]1C[C@H](C)N(CC(=O)Nc2c(F)cc(F)cc2Br)C[C@H]1C[NH3+] ZINC000422639411 563345161 /nfs/dbraw/zinc/34/51/61/563345161.db2.gz SSGRSWAITMPAPN-OUAUKWLOSA-N 1 0 390.272 2.971 20 0 GFADRO CC(C)[NH+]1CCC(NC(=O)N(C)C[C@H](O)c2cccc(Br)c2)CC1 ZINC000298249573 563349046 /nfs/dbraw/zinc/34/90/46/563349046.db2.gz MVHFULDIMWGKRN-KRWDZBQOSA-N 1 0 398.345 2.997 20 0 GFADRO CCN(CC)S(=O)(=O)c1cc(NC(=O)[C@@H]2C[C@@H](C)CC[NH2+]2)ccc1Cl ZINC000422922967 563350451 /nfs/dbraw/zinc/35/04/51/563350451.db2.gz UUWKGSOPEFRRGR-WFASDCNBSA-N 1 0 387.933 2.697 20 0 GFADRO C[C@H](C[C@H]1COCCN1)[NH2+]C[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000422933088 563350826 /nfs/dbraw/zinc/35/08/26/563350826.db2.gz BGBZVGWYDLWTGY-INMHGKMJSA-N 1 0 382.346 2.632 20 0 GFADRO CC(C)[C@@H](C(=O)NCc1nnc2c(Cl)cc(C(F)(F)F)cn12)[C@H](C)[NH3+] ZINC000422933891 563350911 /nfs/dbraw/zinc/35/09/11/563350911.db2.gz ISHUQJXEJOOYLW-QPUJVOFHSA-N 1 0 377.798 2.637 20 0 GFADRO CC1=C(Br)CN(C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)CC1 ZINC000373791198 563350964 /nfs/dbraw/zinc/35/09/64/563350964.db2.gz QXXKJEDOVGEZGN-AWEZNQCLSA-N 1 0 386.334 2.572 20 0 GFADRO C[C@@H]1CN(Cc2nnc(-c3ccc(Br)o3)o2)C[C@@]2(CCCOC2)O1 ZINC000373813331 563352022 /nfs/dbraw/zinc/35/20/22/563352022.db2.gz SWLRBDLCDJFAKS-BDJLRTHQSA-N 1 0 398.257 2.862 20 0 GFADRO CN(Cc1cccc(Cl)c1Cl)C(=O)C(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000422993306 563352387 /nfs/dbraw/zinc/35/23/87/563352387.db2.gz FIULRUBKCCPOHV-UHFFFAOYSA-N 1 0 384.307 2.554 20 0 GFADRO CC(C)[C@H](C(=O)N1CCN(C(=O)c2cccc(Cl)c2Cl)CC1)[C@@H](C)[NH3+] ZINC000422998304 563352556 /nfs/dbraw/zinc/35/25/56/563352556.db2.gz WKJYLSLXPKZNEG-DOMZBBRYSA-N 1 0 386.323 2.897 20 0 GFADRO C[C@H]1CC[NH2+][C@@H](C(=O)N2CCN(C(=O)c3cc(Cl)cc(Cl)c3)CC2)C1 ZINC000422980361 563352596 /nfs/dbraw/zinc/35/25/96/563352596.db2.gz LRQGIYIPIBSJMP-BLLLJJGKSA-N 1 0 384.307 2.666 20 0 GFADRO C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000423085983 563354572 /nfs/dbraw/zinc/35/45/72/563354572.db2.gz LCKFLXAXMYGEAZ-XHBSWPGZSA-N 1 0 384.307 2.723 20 0 GFADRO C[N@@H+]1CC[C@H](CNC(=O)Cc2ccc([S@](C)=O)cc2)[C@@H]1c1cccs1 ZINC000373901276 563354800 /nfs/dbraw/zinc/35/48/00/563354800.db2.gz ZNVYZGSZAABXCK-JSXNVLRUSA-N 1 0 376.547 2.837 20 0 GFADRO COc1cc(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)cc(OC)c1Br ZINC000298441340 563355622 /nfs/dbraw/zinc/35/56/22/563355622.db2.gz HOKOQGQWJYYVCS-LLVKDONJSA-N 1 0 383.286 2.680 20 0 GFADRO C[C@H]1C[N@@H+](C2CCN(C(=O)c3cc(Br)ccc3F)CC2)CCO1 ZINC000373947662 563356460 /nfs/dbraw/zinc/35/64/60/563356460.db2.gz VBZGOFOJWFQYRE-LBPRGKRZSA-N 1 0 385.277 2.914 20 0 GFADRO C[C@H]([NH2+]C[C@H](CO)[C@@H]1CCOC1)c1ccccc1I ZINC000280836588 563356824 /nfs/dbraw/zinc/35/68/24/563356824.db2.gz LMNWNAIXYJIFNC-YNEHKIRRSA-N 1 0 375.250 2.587 20 0 GFADRO CC(C)[C@@H]([NH2+]CCC(=O)Nc1ccc(Br)cc1)c1nncn1C ZINC000298509010 563357676 /nfs/dbraw/zinc/35/76/76/563357676.db2.gz KMBAYTBGZUAFRA-OAHLLOKOSA-N 1 0 380.290 2.893 20 0 GFADRO COc1ccc(C[C@@H](CO)CN[C@@H](C)[C@@H]2CCCC[NH2+]2)cc1Br ZINC000423165760 563357993 /nfs/dbraw/zinc/35/79/93/563357993.db2.gz UVHDXTKIMWSKIM-LXZKKBNFSA-N 1 0 385.346 2.729 20 0 GFADRO COCC[NH+]1CCC(NC(=O)N[C@@H]2C[C@H]2c2ccc(Br)cc2)CC1 ZINC000280861973 563358062 /nfs/dbraw/zinc/35/80/62/563358062.db2.gz COPBIIOXNBERRX-DLBZAZTESA-N 1 0 396.329 2.715 20 0 GFADRO CC(C)[C@@H]([NH2+]CCC(=O)Nc1cccc(Br)c1)c1nncn1C ZINC000298520011 563358063 /nfs/dbraw/zinc/35/80/63/563358063.db2.gz LHZAOCPSDVIYMO-OAHLLOKOSA-N 1 0 380.290 2.893 20 0 GFADRO COc1ccc(Br)cc1C[C@H](CO)CN[C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000423161693 563358016 /nfs/dbraw/zinc/35/80/16/563358016.db2.gz OCKQVIVGUOYHPS-GRDNDAEWSA-N 1 0 385.346 2.729 20 0 GFADRO C[C@H]1C[C@H](C)CN(C(=O)C[NH+]2CCC(n3cc(Br)cn3)CC2)C1 ZINC000374011488 563358405 /nfs/dbraw/zinc/35/84/05/563358405.db2.gz IVJGKHKTVIATJL-KBPBESRZSA-N 1 0 383.334 2.787 20 0 GFADRO C[C@H](NC(=O)N(C)C[C@@H](O)c1cccc(Br)c1)C1=CC[N@H+](C)CC1 ZINC000298531254 563359118 /nfs/dbraw/zinc/35/91/18/563359118.db2.gz CKQHAXBBGLSNAQ-SUMWQHHRSA-N 1 0 396.329 2.774 20 0 GFADRO CCn1ccnc1[C@H](N[C@H](C)C[NH3+])c1ccc(I)cc1 ZINC000423337800 563360138 /nfs/dbraw/zinc/36/01/38/563360138.db2.gz VWLMGFQRTDQQJU-BXUZGUMPSA-N 1 0 384.265 2.534 20 0 GFADRO C[C@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH2+]C[C@@H]1CNCCO1 ZINC000423571296 563362157 /nfs/dbraw/zinc/36/21/57/563362157.db2.gz NOVGUZOZSIODOK-PWSUYJOCSA-N 1 0 379.810 2.654 20 0 GFADRO [NH3+]C[C@@H]1CCN(C(=O)C(=O)N2CCC(c3c(Cl)cccc3Cl)CC2)C1 ZINC000423623790 563362649 /nfs/dbraw/zinc/36/26/49/563362649.db2.gz CEEPYPLMDFKRGV-LBPRGKRZSA-N 1 0 384.307 2.507 20 0 GFADRO C[NH2+][C@H]1CCN(C(=O)C(=O)N2CCC(c3cccc(Cl)c3Cl)CC2)C1 ZINC000423615148 563362678 /nfs/dbraw/zinc/36/26/78/563362678.db2.gz UJOOGNRZXMHQTC-ZDUSSCGKSA-N 1 0 384.307 2.520 20 0 GFADRO [NH3+]C[C@@H]1CCN(C(=O)C(=O)N2CCC(c3cccc(Cl)c3Cl)CC2)C1 ZINC000423645489 563362760 /nfs/dbraw/zinc/36/27/60/563362760.db2.gz YSSCRXBITDKFNO-LBPRGKRZSA-N 1 0 384.307 2.507 20 0 GFADRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)c1nn(-c2cccc(Br)c2)c2c1CCC2 ZINC000423654316 563362880 /nfs/dbraw/zinc/36/28/80/563362880.db2.gz AIURVSVXWCXGHC-NHYWBVRUSA-N 1 0 389.297 2.685 20 0 GFADRO C[C@H]([NH2+]C[C@@H]1CCn2ncc(C(N)=O)c2C1)c1cc(Br)cs1 ZINC000280990143 563362949 /nfs/dbraw/zinc/36/29/49/563362949.db2.gz MSBCAYFNBIAFAQ-VHSXEESVSA-N 1 0 383.315 2.719 20 0 GFADRO O=C(COc1ccc(F)cc1Br)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000423938041 563364195 /nfs/dbraw/zinc/36/41/95/563364195.db2.gz HFNAHDMGUSEEJX-DOMZBBRYSA-N 1 0 385.277 2.958 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)N[C@H](C[NH3+])C(C)(C)C ZINC000423944931 563365126 /nfs/dbraw/zinc/36/51/26/563365126.db2.gz AHWJMTWEIMQEND-CZUORRHYSA-N 1 0 386.583 2.841 20 0 GFADRO O=S(=O)(CC[NH2+]Cc1c[nH]nc1-c1cccs1)CCc1ccccc1 ZINC000374207112 563365471 /nfs/dbraw/zinc/36/54/71/563365471.db2.gz VXMOEUZLIVKAFM-UHFFFAOYSA-N 1 0 375.519 2.885 20 0 GFADRO C[C@@H]1CN(C(=O)c2c(F)cccc2Br)CCN1C1CC[NH+](C)CC1 ZINC000374256288 563365908 /nfs/dbraw/zinc/36/59/08/563365908.db2.gz NPWSTKLBRFRZMK-CYBMUJFWSA-N 1 0 398.320 2.829 20 0 GFADRO COc1cc(Cl)c(Cl)cc1C(=O)N1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000423994992 563366238 /nfs/dbraw/zinc/36/62/38/563366238.db2.gz CVKPJILXVXQINO-LLVKDONJSA-N 1 0 384.267 2.530 20 0 GFADRO COc1ccc(Br)c(CC(=O)N2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000423978849 563366538 /nfs/dbraw/zinc/36/65/38/563366538.db2.gz QXGIGDXDHILSGG-CXAGYDPISA-N 1 0 381.314 2.991 20 0 GFADRO [NH3+]C[C@@H](NC(=O)c1cnn(-c2cccc(Br)c2)c1)C1CCCC1 ZINC000423972677 563366646 /nfs/dbraw/zinc/36/66/46/563366646.db2.gz ZYQHPTNKFGCNGU-MRXNPFEDSA-N 1 0 377.286 2.882 20 0 GFADRO C[C@H]1CCN(C(=O)c2cnn(-c3cccc(Br)c3)c2)C[C@@H]1C[NH3+] ZINC000424000540 563367307 /nfs/dbraw/zinc/36/73/07/563367307.db2.gz BSYWTPBRSLRHAZ-STQMWFEESA-N 1 0 377.286 2.692 20 0 GFADRO CC[NH+]1CCN(CCCNC(=O)C(C)(C)c2ccccc2Br)CC1 ZINC000281151240 563367780 /nfs/dbraw/zinc/36/77/80/563367780.db2.gz GNAMUSPXERLDNY-UHFFFAOYSA-N 1 0 396.373 2.871 20 0 GFADRO C[C@H]1CCN(C(=O)COc2ccc(Br)cc2Cl)C[C@@H]1C[NH3+] ZINC000424019725 563367912 /nfs/dbraw/zinc/36/79/12/563367912.db2.gz RVJKTZZUCKZEKX-QWRGUYRKSA-N 1 0 375.694 2.925 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)COc2ccc3cc(Br)ccc3c2)CCCO1 ZINC000424028349 563367977 /nfs/dbraw/zinc/36/79/77/563367977.db2.gz WYVYERNPMIPLKQ-KRWDZBQOSA-N 1 0 393.281 2.557 20 0 GFADRO C[C@@H]1C[C@@H](C)N(C(=O)c2cc(F)ccc2I)C[C@@H]1C[NH3+] ZINC000424068225 563369416 /nfs/dbraw/zinc/36/94/16/563369416.db2.gz HRKGLLNVFQWBIH-MXWKQRLJSA-N 1 0 390.240 2.876 20 0 GFADRO C[C@@H]1C[C@H](C)N(C(=O)Cc2ccc(I)cc2)C[C@@H]1C[NH3+] ZINC000424082131 563370100 /nfs/dbraw/zinc/37/01/00/563370100.db2.gz XHMXFUWDBQFVED-DYEKYZERSA-N 1 0 386.277 2.666 20 0 GFADRO CCOc1ccc(Br)cc1NC(=O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000424100389 563371007 /nfs/dbraw/zinc/37/10/07/563371007.db2.gz KRRUTYLBNOQJCX-LBPRGKRZSA-N 1 0 394.273 2.616 20 0 GFADRO C[C@@H](CNC(=O)N(C)C[C@@H](O)c1cccc(Br)c1)[N@H+](C)C1CC1 ZINC000298955481 563371683 /nfs/dbraw/zinc/37/16/83/563371683.db2.gz QCOHXZGUUZXOEQ-BLLLJJGKSA-N 1 0 384.318 2.607 20 0 GFADRO O=C(COc1ccc(F)cc1Br)NC1CC[NH+](CC2CC2)CC1 ZINC000299020790 563373036 /nfs/dbraw/zinc/37/30/36/563373036.db2.gz RJCALJYFVCFOPJ-UHFFFAOYSA-N 1 0 385.277 2.958 20 0 GFADRO [NH3+][C@H](C(=O)NCc1cc(Cl)cc(I)c1)C1CCC1 ZINC000424212513 563373966 /nfs/dbraw/zinc/37/39/66/563373966.db2.gz PPHHYPLAEFFHFT-LBPRGKRZSA-N 1 0 378.641 2.688 20 0 GFADRO C[C@@H]1CC2(CN1C(=O)[C@@H]1COc3ccc(Br)cc31)CC[NH2+]CC2 ZINC000424232262 563374285 /nfs/dbraw/zinc/37/42/85/563374285.db2.gz HCYKZWKDRITTCD-IUODEOHRSA-N 1 0 379.298 2.916 20 0 GFADRO CCOC(=O)c1cc2cc(S(=O)(=O)N[C@@H]3CCCC[C@H]3[NH3+])ccc2s1 ZINC000424360736 563376453 /nfs/dbraw/zinc/37/64/53/563376453.db2.gz GRKMMMZONCVZGH-ZIAGYGMSSA-N 1 0 382.507 2.626 20 0 GFADRO C[C@H]1CC2(CN1S(=O)(=O)c1cc(Br)ccc1F)CC[NH2+]CC2 ZINC000424391675 563377822 /nfs/dbraw/zinc/37/78/22/563377822.db2.gz NFRJVKZQHXXWSR-NSHDSACASA-N 1 0 391.306 2.741 20 0 GFADRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)c3cc(=O)[nH]c4ccc(Br)cc43)C[C@H]21 ZINC000374632698 563378241 /nfs/dbraw/zinc/37/82/41/563378241.db2.gz SIIDLPQZWUZSKX-COLVAYQJSA-N 1 0 390.281 2.902 20 0 GFADRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)c3cnn(-c4ccc(Br)cc4)c3)C[C@H]21 ZINC000374623002 563378247 /nfs/dbraw/zinc/37/82/47/563378247.db2.gz MMKVQPCIGAHZDS-JCURWCKSSA-N 1 0 389.297 2.834 20 0 GFADRO [NH3+][C@@H]1CCCC[C@H]1NC(=O)N[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000424453955 563379188 /nfs/dbraw/zinc/37/91/88/563379188.db2.gz MXZVXFVTHLVASZ-NUEKZKHPSA-N 1 0 381.318 2.597 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000424453306 563379676 /nfs/dbraw/zinc/37/96/76/563379676.db2.gz KKELODSYFMEBLW-ZIAGYGMSSA-N 1 0 397.317 2.655 20 0 GFADRO O=C(NC[C@H]1CCC[C@@H]1[NH+]1CCOCC1)Nc1ncc(C(F)(F)F)s1 ZINC000374687762 563379900 /nfs/dbraw/zinc/37/99/00/563379900.db2.gz PNCZUQZDWJIWCM-MNOVXSKESA-N 1 0 378.420 2.784 20 0 GFADRO CCC[NH2+]CCNC(=O)NCc1cc(Cl)cc(I)c1 ZINC000424483946 563380174 /nfs/dbraw/zinc/38/01/74/563380174.db2.gz ZGNDHRNYNWAOGF-UHFFFAOYSA-N 1 0 395.672 2.743 20 0 GFADRO COc1ncc(C(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)cc1Br ZINC000424571731 563382560 /nfs/dbraw/zinc/38/25/60/563382560.db2.gz XAJSHBZSRVNFBJ-OAHLLOKOSA-N 1 0 392.297 2.755 20 0 GFADRO O=C(CNC(=O)c1cccs1)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000299437286 563383613 /nfs/dbraw/zinc/38/36/13/563383613.db2.gz FGCCDZWDKJRBGG-CQSZACIVSA-N 1 0 377.535 2.568 20 0 GFADRO CC[NH+]1CCN([C@H]2CCN(C(=O)c3cc(Br)c(C)s3)C2)CC1 ZINC000424654650 563385520 /nfs/dbraw/zinc/38/55/20/563385520.db2.gz UYEMAHALXBNFJT-ZDUSSCGKSA-N 1 0 386.359 2.671 20 0 GFADRO C[NH+](C)C(C)(C)CNC(=O)C(=O)Nc1cc(F)c(Br)cc1Cl ZINC000281745929 563386482 /nfs/dbraw/zinc/38/64/82/563386482.db2.gz VIJFUYDXVIXKAA-UHFFFAOYSA-N 1 0 394.672 2.637 20 0 GFADRO COc1ncc(C(=O)N2CC[N@H+](C)CC23CCCCC3)cc1Br ZINC000424688250 563387066 /nfs/dbraw/zinc/38/70/66/563387066.db2.gz CNYFGYXKAGHOCL-UHFFFAOYSA-N 1 0 382.302 2.943 20 0 GFADRO COC(=O)C1CCN(C(=O)C[NH2+]C2(c3ccc(Cl)c(Cl)c3)CC2)CC1 ZINC000299611704 563387300 /nfs/dbraw/zinc/38/73/00/563387300.db2.gz JNTINFNLUXCUHT-UHFFFAOYSA-N 1 0 385.291 2.984 20 0 GFADRO C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N1CC[C@@H]2CC[N@H+](C)[C@H]2C1 ZINC000375038420 563388745 /nfs/dbraw/zinc/38/87/45/563388745.db2.gz KZPHCEKBXCLDDV-HUBLWGQQSA-N 1 0 384.307 2.664 20 0 GFADRO C[N@@H+]1CCN(CCNC(=O)c2cc(Cl)ccc2Br)CC1(C)C ZINC000281894183 563389164 /nfs/dbraw/zinc/38/91/64/563389164.db2.gz YNFTXNRNDLBWIE-UHFFFAOYSA-N 1 0 388.737 2.858 20 0 GFADRO C[C@@H]([NH2+][C@H](c1cccc(Br)c1)C1CCOCC1)C(=O)NCCF ZINC000281912815 563389842 /nfs/dbraw/zinc/38/98/42/563389842.db2.gz AAWPCJMPNRNVDH-WBMJQRKESA-N 1 0 387.293 2.981 20 0 GFADRO CC[NH+]1CCC(NC(=O)N[C@H]2COc3cc(F)c(Br)cc32)CC1 ZINC000281915268 563390530 /nfs/dbraw/zinc/39/05/30/563390530.db2.gz NPWAPQNOOPMEAB-AWEZNQCLSA-N 1 0 386.265 2.805 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2cc(Cl)c(N)c(Cl)c2)[C@@H](C)C1 ZINC000299725680 563390580 /nfs/dbraw/zinc/39/05/80/563390580.db2.gz UMFKNKBUMIWKON-IINYFYTJSA-N 1 0 387.311 2.703 20 0 GFADRO C[N@@H+]1CC[C@H]2CCN(C(=O)Cc3noc4ccc(Br)cc43)[C@@H]2C1 ZINC000424784466 563391404 /nfs/dbraw/zinc/39/14/04/563391404.db2.gz KGVXRMYZNQTODP-XHDPSFHLSA-N 1 0 378.270 2.685 20 0 GFADRO Cc1cc([C@@H](C)[NH2+]CCCNC(=O)c2cccc(Br)c2)nn1C ZINC000281997640 563393795 /nfs/dbraw/zinc/39/37/95/563393795.db2.gz CTZUIUADCZEECG-CYBMUJFWSA-N 1 0 379.302 2.962 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNc2ncc(S(N)(=O)=O)s2)cc1 ZINC000301145070 563394448 /nfs/dbraw/zinc/39/44/48/563394448.db2.gz KYTRNNPKMUNZHM-CYBMUJFWSA-N 1 0 380.539 2.777 20 0 GFADRO CC[NH+]1CCN(CC(C)(C)NC(=O)c2cc(Br)c(C)s2)CC1 ZINC000424862935 563395378 /nfs/dbraw/zinc/39/53/78/563395378.db2.gz HOWURFUCVHSXQU-UHFFFAOYSA-N 1 0 388.375 2.965 20 0 GFADRO CC[C@@H](C(=O)NCc1cc(Cl)cc(I)c1)[NH+](C)C ZINC000424880861 563396283 /nfs/dbraw/zinc/39/62/83/563396283.db2.gz BKCKKAROHOGWDG-LBPRGKRZSA-N 1 0 380.657 2.901 20 0 GFADRO Cn1ncc(N2CCC[C@H](C[NH+]3CCCCCC3)C2)c(Br)c1=O ZINC000301266754 563398636 /nfs/dbraw/zinc/39/86/36/563398636.db2.gz WOCFBISHMDGAOO-CQSZACIVSA-N 1 0 383.334 2.635 20 0 GFADRO COCC(C)(C)[NH+]1CCN(C(=O)Cc2ccc(Br)s2)CC1 ZINC000425000400 563400646 /nfs/dbraw/zinc/40/06/46/563400646.db2.gz NEBZHNXTJGSDKX-UHFFFAOYSA-N 1 0 375.332 2.622 20 0 GFADRO Cn1nnnc1N1CCC([NH2+][C@H](c2ccc(Br)s2)C2CC2)CC1 ZINC000375353418 563401232 /nfs/dbraw/zinc/40/12/32/563401232.db2.gz PXDAQKCQYWZKMP-AWEZNQCLSA-N 1 0 397.346 2.744 20 0 GFADRO C[C@H]1OCC[C@@H]1C(=O)Nc1cc(Br)ccc1N(C)CC[NH+](C)C ZINC000425095162 563403282 /nfs/dbraw/zinc/40/32/82/563403282.db2.gz AIAALRUDFASUPW-OCCSQVGLSA-N 1 0 384.318 2.810 20 0 GFADRO CC1CC[NH+]([C@H](CNC(=O)NCC2([S@@](C)=O)CC2)c2cccs2)CC1 ZINC000282247205 563403987 /nfs/dbraw/zinc/40/39/87/563403987.db2.gz GKXSNUDPJXAUFG-SGANQWHYSA-N 1 0 383.583 2.731 20 0 GFADRO C[C@]1(O)CCOC[C@@H]1[C@@H]1CCC[N@@H+]1Cc1cnc2ccc(Br)cn12 ZINC000375413829 563404078 /nfs/dbraw/zinc/40/40/78/563404078.db2.gz XOAVLTGMMWODRQ-RYRKJORJSA-N 1 0 394.313 2.849 20 0 GFADRO CC(=O)NC1CCC([NH2+][C@H]2CCN(c3cccc(Br)c3)C2=O)CC1 ZINC000375416683 563404376 /nfs/dbraw/zinc/40/43/76/563404376.db2.gz RJAQTVOYWALYFR-DQPZFDDXSA-N 1 0 394.313 2.591 20 0 GFADRO C[C@@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+]CC1([S@@](C)=O)CC1 ZINC000282345297 563407992 /nfs/dbraw/zinc/40/79/92/563407992.db2.gz OZSZIUPTLQUCBR-JPQMIFPKSA-N 1 0 378.416 2.803 20 0 GFADRO COc1cc2[nH+]ccc(NCCCN3CCCC3=O)c2cc1Br ZINC000425205235 563410491 /nfs/dbraw/zinc/41/04/91/563410491.db2.gz VHYJKEOOGJAJLP-UHFFFAOYSA-N 1 0 378.270 2.852 20 0 GFADRO C[C@H]([NH2+][C@@H]1C[C@@H]2OCCC[C@H]12)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000375648962 563413089 /nfs/dbraw/zinc/41/30/89/563413089.db2.gz NTOWLTJEIXVICY-DZLLMUEISA-N 1 0 379.309 2.859 20 0 GFADRO CNC(=O)[C@@H]1CCC[C@H]1Nc1cc[nH+]c2cc(OC)c(Br)cc12 ZINC000425244794 563414711 /nfs/dbraw/zinc/41/47/11/563414711.db2.gz HWYFUPUFRGBXBI-ZWNOBZJWSA-N 1 0 378.270 2.754 20 0 GFADRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2cc(Br)cc3nc[nH]c32)C1 ZINC000282583148 563416809 /nfs/dbraw/zinc/41/68/09/563416809.db2.gz VBRUGACPTBMNRC-ABAIWWIYSA-N 1 0 377.286 2.882 20 0 GFADRO C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000375799456 563418536 /nfs/dbraw/zinc/41/85/36/563418536.db2.gz ZABGGJYINVYYAD-CSMYWGQOSA-N 1 0 386.323 2.851 20 0 GFADRO COCC(C)(C)[NH+]1CCN(C[C@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000425507316 563425425 /nfs/dbraw/zinc/42/54/25/563425425.db2.gz MGTYIBKOYZATTJ-HNNXBMFYSA-N 1 0 391.339 2.776 20 0 GFADRO CC[NH+](CC)CCOCCNC(=O)Nc1cnc2c(Br)cccn12 ZINC000425672398 563430659 /nfs/dbraw/zinc/43/06/59/563430659.db2.gz KWTDFMADMOPVOC-UHFFFAOYSA-N 1 0 398.305 2.577 20 0 GFADRO CCCC[N@H+](C)[C@@H](C)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000302799881 563430693 /nfs/dbraw/zinc/43/06/93/563430693.db2.gz RHRMVWAJDOMKMT-LBPRGKRZSA-N 1 0 375.922 2.649 20 0 GFADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)Nc1cccc(Br)c1Cl ZINC000283021565 563433258 /nfs/dbraw/zinc/43/32/58/563433258.db2.gz HSOVLXNRCRCPOO-NSHDSACASA-N 1 0 389.725 2.860 20 0 GFADRO Cn1c(-c2cc(F)ccc2Br)nnc1N1CC[NH+](C2CC2)CC1 ZINC000283030280 563433706 /nfs/dbraw/zinc/43/37/06/563433706.db2.gz DAIVLPUJUBEQNU-UHFFFAOYSA-N 1 0 380.265 2.668 20 0 GFADRO COCCN1CCN(C(=O)Nc2cccc(Br)c2Cl)CC1 ZINC000283128130 563435907 /nfs/dbraw/zinc/43/59/07/563435907.db2.gz NIIUEHLJNZEGGH-UHFFFAOYSA-N 1 0 376.682 2.898 20 0 GFADRO Cc1ccc(Br)cc1CN1C(=O)N[C@@]2(CCCC[C@H]2C[NH3+])C1=O ZINC000313751888 563438424 /nfs/dbraw/zinc/43/84/24/563438424.db2.gz FYVAEKRGMUYCRE-SUMWQHHRSA-N 1 0 380.286 2.697 20 0 GFADRO Cc1nc(CN2CCC[C@@H]([NH2+][C@H](C)c3ncc(Br)cc3F)C2)no1 ZINC000376339174 563438899 /nfs/dbraw/zinc/43/88/99/563438899.db2.gz GUDWMLWOPJAOBP-ZWNOBZJWSA-N 1 0 398.280 2.990 20 0 GFADRO Cc1ccc(S(=O)(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c(Br)c1 ZINC000314663126 563439104 /nfs/dbraw/zinc/43/91/04/563439104.db2.gz FLIVSDUAEPQLJZ-UKRRQHHQSA-N 1 0 387.343 2.910 20 0 GFADRO CC[C@]1(O)CC[N@H+](C[C@@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000425926210 563440855 /nfs/dbraw/zinc/44/08/55/563440855.db2.gz XJGLMVMUGRIAAS-DOMZBBRYSA-N 1 0 378.694 2.689 20 0 GFADRO [NH3+][C@@H]1CCC[C@@]12CCN(C(=O)c1ccn(-c3cccc(Br)c3)n1)C2 ZINC000376458495 563443014 /nfs/dbraw/zinc/44/30/14/563443014.db2.gz RIISRNCXRDXNFJ-AEFFLSMTSA-N 1 0 389.297 2.978 20 0 GFADRO C[C@H]1OCC[C@]1(O)C[NH2+]Cc1ccc(OC(F)(F)F)c(Br)c1 ZINC000318677353 563443698 /nfs/dbraw/zinc/44/36/98/563443698.db2.gz MSMPSZLMPYQQET-RNCFNFMXSA-N 1 0 384.192 2.977 20 0 GFADRO C[C@@H]1OCC[C@@]1(O)C[NH2+]Cc1ccc(OC(F)(F)F)c(Br)c1 ZINC000318677354 563443761 /nfs/dbraw/zinc/44/37/61/563443761.db2.gz MSMPSZLMPYQQET-TVQRCGJNSA-N 1 0 384.192 2.977 20 0 GFADRO C[C@@H](C(=O)Nc1cccc(Cl)c1)[N@@H+]1CC[C@H](C(=O)NCC(F)(F)F)C1 ZINC000426108516 563444082 /nfs/dbraw/zinc/44/40/82/563444082.db2.gz ASXXYPYYZBHAOU-QWRGUYRKSA-N 1 0 377.794 2.667 20 0 GFADRO Cc1cc(NC(=O)C(=O)N[C@@H]2CCC[N@H+](C)[C@@H]2C)cc(C)c1Br ZINC000426175844 563445776 /nfs/dbraw/zinc/44/57/76/563445776.db2.gz JQXCZNOPZPTAKF-TZMCWYRMSA-N 1 0 382.302 2.603 20 0 GFADRO O=c1ccc(Br)cn1C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000283571997 563448178 /nfs/dbraw/zinc/44/81/78/563448178.db2.gz QEERCDNCROSYOP-KRWDZBQOSA-N 1 0 377.282 2.902 20 0 GFADRO COc1cc(Br)c(CN2CCC(OCCC[NH3+])CC2)cc1OC ZINC000321781379 563448479 /nfs/dbraw/zinc/44/84/79/563448479.db2.gz ZEYOBFSWAFCPGY-UHFFFAOYSA-N 1 0 387.318 2.796 20 0 GFADRO O=C(c1ccc(Br)cc1F)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000322132293 563449185 /nfs/dbraw/zinc/44/91/85/563449185.db2.gz ULPJGPNFVJHKQW-CQSZACIVSA-N 1 0 385.277 2.915 20 0 GFADRO Cc1cc(C[NH2+]C2CCN(C(=O)c3cnccn3)CC2)ccc1Br ZINC000376695755 563450832 /nfs/dbraw/zinc/45/08/32/563450832.db2.gz UZEGRZWECABBKE-UHFFFAOYSA-N 1 0 389.297 2.942 20 0 GFADRO COCC[N@@H+]1CCCN(C(=O)c2nc(Br)sc2C2CC2)CC1 ZINC000376732377 563452842 /nfs/dbraw/zinc/45/28/42/563452842.db2.gz FJPOBCNRTFXKEP-UHFFFAOYSA-N 1 0 388.331 2.577 20 0 GFADRO Ic1cccc(C[NH2+]C2CCN(c3cccnn3)CC2)c1 ZINC000283918385 563458941 /nfs/dbraw/zinc/45/89/41/563458941.db2.gz KYZWGCZVPQJEKU-UHFFFAOYSA-N 1 0 394.260 2.840 20 0 GFADRO CC1(C)[C@@H]2OCCC[C@H]2[C@@]1([NH3+])C(=O)N1CCc2c(Br)cccc2C1 ZINC000377009358 563460539 /nfs/dbraw/zinc/46/05/39/563460539.db2.gz GYYVMSLDHVKURU-IDHHARJASA-N 1 0 393.325 2.866 20 0 GFADRO O=C(NCCCn1cc(Br)cn1)N1CCC([NH2+]C2CCCC2)CC1 ZINC000377051180 563462002 /nfs/dbraw/zinc/46/20/02/563462002.db2.gz NAHKEVDCNIQSDI-UHFFFAOYSA-N 1 0 398.349 2.742 20 0 GFADRO COc1ccc(Cl)cc1NC(=O)CC[NH2+][C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000284083575 563463758 /nfs/dbraw/zinc/46/37/58/563463758.db2.gz LXAMXLRGGUGDCJ-KGLIPLIRSA-N 1 0 388.917 2.623 20 0 GFADRO O=C(C[C@@H]1CC[NH2+]C1)N1CCC[C@H]1c1ccccc1I ZINC000427383612 563466766 /nfs/dbraw/zinc/46/67/66/563466766.db2.gz KHLRNLCCOSNPQE-WFASDCNBSA-N 1 0 384.261 2.954 20 0 GFADRO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N(CCO)Cc1cc(Br)cs1 ZINC000427549872 563469458 /nfs/dbraw/zinc/46/94/58/563469458.db2.gz MXCMEBKYEQKLBA-TXEJJXNPSA-N 1 0 375.332 2.704 20 0 GFADRO Cc1cc(C(=O)N[C@@H]2C[NH2+]CC[C@H]2C)nn1-c1ccc(Br)cc1 ZINC000427563743 563469466 /nfs/dbraw/zinc/46/94/66/563469466.db2.gz GVXSMLNVVLAEFR-BDJLRTHQSA-N 1 0 377.286 2.671 20 0 GFADRO C[C@H]([NH2+][C@H](c1cncc(Br)c1)C1CC1)C(=O)Nc1ncccn1 ZINC000284315138 563470030 /nfs/dbraw/zinc/47/00/30/563470030.db2.gz ASFNXYUJQJZDEN-HZMBPMFUSA-N 1 0 376.258 2.702 20 0 GFADRO C[C@@H](CNC(=O)C1CC[NH+](Cc2ccc(Cl)s2)CC1)c1nncn1C ZINC000377324786 563470654 /nfs/dbraw/zinc/47/06/54/563470654.db2.gz ZWJCRIOGOAZRLQ-LBPRGKRZSA-N 1 0 381.933 2.662 20 0 GFADRO C[C@@H](Cc1ccc(F)cc1Br)[NH2+][C@H]1CCN(c2ccn(C)n2)C1=O ZINC000377353154 563471499 /nfs/dbraw/zinc/47/14/99/563471499.db2.gz UUBGZYHFUYSANA-NHYWBVRUSA-N 1 0 395.276 2.648 20 0 GFADRO CC[N@H+](CC(=O)N(CCOC)Cc1cc(Br)cs1)C1CC1 ZINC000427724006 563472789 /nfs/dbraw/zinc/47/27/89/563472789.db2.gz UGYUNASXPBNQTF-UHFFFAOYSA-N 1 0 375.332 2.970 20 0 GFADRO CS(=O)(=O)c1cc(C(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)c(Cl)cc1Cl ZINC000377525246 563477908 /nfs/dbraw/zinc/47/79/08/563477908.db2.gz QDKYNCAXBJSTKG-INIZCTEOSA-N 1 0 391.320 2.613 20 0 GFADRO O=S1(=O)CC[C@]2(C1)C[C@@H]([NH2+]Cc1cnc(-c3ccsc3)s1)CCO2 ZINC000329297155 563478368 /nfs/dbraw/zinc/47/83/68/563478368.db2.gz TVLGNACGJICJFL-XJKSGUPXSA-N 1 0 384.548 2.698 20 0 GFADRO C[C@H](CCCC[NH3+])NS(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC000427949767 563478990 /nfs/dbraw/zinc/47/89/90/563478990.db2.gz YRDRVXGYARUIMF-ZIAGYGMSSA-N 1 0 390.933 2.551 20 0 GFADRO C[C@H](Cn1cc(Br)cn1)[NH2+][C@H](c1nccn1C)C1CCOCC1 ZINC000284560552 563480235 /nfs/dbraw/zinc/48/02/35/563480235.db2.gz HCZSSDPPIRRLTC-DOMZBBRYSA-N 1 0 382.306 2.525 20 0 GFADRO COc1ccc([C@H](C[NH+](C)C)NC(=O)c2ccncc2Br)cc1 ZINC000284593145 563481502 /nfs/dbraw/zinc/48/15/02/563481502.db2.gz ZTJCWWKRGAUXOY-INIZCTEOSA-N 1 0 378.270 2.885 20 0 GFADRO O=C1NC[C@H]2C[N@H+](Cc3ncc(-c4ccccc4Br)o3)CC[C@@H]12 ZINC000377642340 563481778 /nfs/dbraw/zinc/48/17/78/563481778.db2.gz AYGDCHMIRPLQFU-NWDGAFQWSA-N 1 0 376.254 2.672 20 0 GFADRO O=C1NC[C@H]2C[N@H+](Cc3ncc(-c4cccc(Br)c4)o3)CC[C@@H]12 ZINC000377663882 563482567 /nfs/dbraw/zinc/48/25/67/563482567.db2.gz CWZOLRCMOWTGHS-GXTWGEPZSA-N 1 0 376.254 2.672 20 0 GFADRO CCc1[nH]nc(-c2nc([C@H]3C[N@@H+]4CCC[C@@]4(C)CO3)no2)c1Br ZINC000329549908 563482742 /nfs/dbraw/zinc/48/27/42/563482742.db2.gz COUWHNIKKQHMGZ-BMIGLBTASA-N 1 0 382.262 2.710 20 0 GFADRO Ic1cnc(CN2CC[C@@H](C[NH+]3CCCC3)C2)s1 ZINC000377700767 563483216 /nfs/dbraw/zinc/48/32/16/563483216.db2.gz RXPFMHOIDQBROW-NSHDSACASA-N 1 0 377.295 2.665 20 0 GFADRO O=C(Nc1ccccc1I)N[C@H]1CCc2[nH]cnc2C1 ZINC000377763952 563485780 /nfs/dbraw/zinc/48/57/80/563485780.db2.gz HDUHVXIXMXQATE-VIFPVBQESA-N 1 0 382.205 2.693 20 0 GFADRO CCC(CC)[C@@H](CNC(=O)C(=O)Nc1nc(C(F)(F)F)cs1)[NH+](C)C ZINC000284768344 563489527 /nfs/dbraw/zinc/48/95/27/563489527.db2.gz MYAXBDYVGDMQJH-SNVBAGLBSA-N 1 0 380.436 2.583 20 0 GFADRO O=C(c1cccn1-c1ccc(I)cc1)N1CCC[NH2+]CC1 ZINC000428416467 563491422 /nfs/dbraw/zinc/49/14/22/563491422.db2.gz AEFMWOHDHYOJHO-UHFFFAOYSA-N 1 0 395.244 2.517 20 0 GFADRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NS(=O)(=O)c1ccc(Cl)c(Br)c1 ZINC000428414933 563491694 /nfs/dbraw/zinc/49/16/94/563491694.db2.gz SGCNJGWTHTXICZ-OTYXRUKQSA-N 1 0 393.734 2.864 20 0 GFADRO CC(C)Cn1cnc(S(=O)(=O)NC2CC[NH+](Cc3cccs3)CC2)c1 ZINC000378005449 563492939 /nfs/dbraw/zinc/49/29/39/563492939.db2.gz VNXRRRGCRAIBPU-UHFFFAOYSA-N 1 0 382.555 2.544 20 0 GFADRO C[C@@H](NC(=O)CCc1c[nH]cn1)c1ccc(Br)cc1OCCCO ZINC000428581191 563496337 /nfs/dbraw/zinc/49/63/37/563496337.db2.gz LOYULZFVYUFDEI-GFCCVEGCSA-N 1 0 396.285 2.743 20 0 GFADRO CN(C(=O)Nc1cccnc1Br)C1CC[NH+](C2CCOCC2)CC1 ZINC000378192479 563498421 /nfs/dbraw/zinc/49/84/21/563498421.db2.gz YYDVVDCGIWHFCE-UHFFFAOYSA-N 1 0 397.317 2.951 20 0 GFADRO O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)c1cc2c(cccc2Br)[nH]1 ZINC000378194793 563498557 /nfs/dbraw/zinc/49/85/57/563498557.db2.gz OEIPXELTOVOILL-CYBMUJFWSA-N 1 0 392.297 2.914 20 0 GFADRO COC[C@](C)(CC(=O)OC)[NH2+]CC(=O)N[C@H](C)c1ccc(Cl)cc1Cl ZINC000428776389 563501626 /nfs/dbraw/zinc/50/16/26/563501626.db2.gz FDHCTVIBKVHPTH-DIFFPNOSSA-N 1 0 391.295 2.728 20 0 GFADRO C[C@H]([NH2+][C@H]1CCC[C@H]1C)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000330393465 563503278 /nfs/dbraw/zinc/50/32/78/563503278.db2.gz CCJBLYVHEXMHEO-XUJVJEKNSA-N 1 0 387.933 2.696 20 0 GFADRO C[NH+](C)[C@@H]1[C@H]2CN(C(=O)c3ccc(Br)cc3Br)C[C@H]21 ZINC000384881532 563518145 /nfs/dbraw/zinc/51/81/45/563518145.db2.gz JXRKHLZUKNMMEC-PJXYFTJBSA-N 1 0 388.103 2.844 20 0 GFADRO Cn1ccnc1Sc1ncc(C(=O)N2CCC([NH+](C)C)CC2)cc1Cl ZINC000330428654 563505626 /nfs/dbraw/zinc/50/56/26/563505626.db2.gz YFLHDIFUNUDFIZ-UHFFFAOYSA-N 1 0 379.917 2.786 20 0 GFADRO C[C@H]([NH2+]C[C@H]1CCN(C)[C@@H]1c1cccs1)c1ccc(S(N)(=O)=O)cc1 ZINC000378434675 563506663 /nfs/dbraw/zinc/50/66/63/563506663.db2.gz SZYCSFSBYJXOFV-JOQOYGCGSA-N 1 0 379.551 2.739 20 0 GFADRO CC(=O)Nc1ccc(S(=O)(=O)N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)cc1Cl ZINC000285193859 563507497 /nfs/dbraw/zinc/50/74/97/563507497.db2.gz CNEVNSFUZMEHFR-OCCSQVGLSA-N 1 0 385.917 2.546 20 0 GFADRO CCS(=O)(=O)CCCCC[NH2+][C@H](CO)c1ccc(Br)c(F)c1 ZINC000429018655 563507487 /nfs/dbraw/zinc/50/74/87/563507487.db2.gz HTMCCHSOFHMDPU-OAHLLOKOSA-N 1 0 396.322 2.816 20 0 GFADRO Cc1nn2c(C[NH2+][C@H]3CCC(=O)N(C)[C@@H]3c3cccs3)c(C)nc2s1 ZINC000378448660 563507727 /nfs/dbraw/zinc/50/77/27/563507727.db2.gz DEGBFKWAZTYGOW-LRDDRELGSA-N 1 0 375.523 2.921 20 0 GFADRO C[C@@H]1CN(C[C@H](O)C[N@@H+]2CC[C@@H](Sc3cccc(Cl)c3)C2)C[C@H](C)O1 ZINC000429113836 563510001 /nfs/dbraw/zinc/51/00/01/563510001.db2.gz FHMFYPQYOKEDRU-LORHWOILSA-N 1 0 384.973 2.977 20 0 GFADRO [NH3+]C1C[C@H]2CCC[C@@H](C1)N2S(=O)(=O)c1cc(F)c(Br)cc1F ZINC000378521972 563510153 /nfs/dbraw/zinc/51/01/53/563510153.db2.gz NXTWQJUPHOPDJI-PBINXNQUSA-N 1 0 395.269 2.760 20 0 GFADRO C[C@@H]1CCCN(C(=O)[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)[C@@H]1C[NH3+] ZINC000429169818 563511078 /nfs/dbraw/zinc/51/10/78/563511078.db2.gz VLRAZYZLGPLINV-PVXIVEMSSA-N 1 0 384.307 2.932 20 0 GFADRO COCC(C)(C)[N@H+](C)CC(=O)Nc1cccc(I)c1 ZINC000429241163 563512756 /nfs/dbraw/zinc/51/27/56/563512756.db2.gz VNGPUNTWLRYYEB-UHFFFAOYSA-N 1 0 376.238 2.587 20 0 GFADRO CNS(=O)(=O)CCC[NH2+][C@H]1c2cc(Br)ccc2CC1(C)C ZINC000429282543 563513400 /nfs/dbraw/zinc/51/34/00/563513400.db2.gz FLHOJQBSRJYFSM-AWEZNQCLSA-N 1 0 375.332 2.601 20 0 GFADRO C[C@H](Cn1cc(Br)cn1)[NH2+]C[C@@]1(CO)C[C@H]1c1ccc(F)cc1 ZINC000429416071 563516329 /nfs/dbraw/zinc/51/63/29/563516329.db2.gz BSXJEPQYWIVXRV-OAUYIBNBSA-N 1 0 382.277 2.929 20 0 GFADRO Cc1ccsc1[C@H](Cc1ccccc1)[NH2+]CCNS(=O)(=O)NC(C)C ZINC000429424081 563516386 /nfs/dbraw/zinc/51/63/86/563516386.db2.gz KAFGNJWEBPSJOR-KRWDZBQOSA-N 1 0 381.567 2.762 20 0 GFADRO Ic1ccc(C[NH2+]CCCOC[C@H]2CCCO2)cc1 ZINC000381633080 563516569 /nfs/dbraw/zinc/51/65/69/563516569.db2.gz AELXYOXYEWNDIZ-OAHLLOKOSA-N 1 0 375.250 2.967 20 0 GFADRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NS(=O)(=O)c1cccnc1C(F)(F)F ZINC000330672762 563516815 /nfs/dbraw/zinc/51/68/15/563516815.db2.gz OCWGOBGTPLJYTP-JHJVBQTASA-N 1 0 379.448 2.745 20 0 GFADRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1CC(=O)N(C)Cc1ccccc1Br ZINC000285378870 563517293 /nfs/dbraw/zinc/51/72/93/563517293.db2.gz BJYUTAPZIISUBJ-RDJZCZTQSA-N 1 0 394.357 2.966 20 0 GFADRO Cc1cc(COc2ccc(C(=O)N[C@@H](C[NH3+])C3CC3)cc2Br)on1 ZINC000429550521 563518244 /nfs/dbraw/zinc/51/82/44/563518244.db2.gz XUXRRTSSTMDXLQ-HNNXBMFYSA-N 1 0 394.269 2.792 20 0 GFADRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)Cn2cc(Br)ccc2=O)C1 ZINC000330690637 563518316 /nfs/dbraw/zinc/51/83/16/563518316.db2.gz YRCPBFUFHKMBES-CQSZACIVSA-N 1 0 398.345 2.628 20 0 GFADRO CCCOc1ccc(Br)cc1C[NH2+][C@H]1CCS(=O)(=O)[C@H]1C ZINC000386647996 563518619 /nfs/dbraw/zinc/51/86/19/563518619.db2.gz XULLMDFNSQQYKI-FZMZJTMJSA-N 1 0 376.316 2.903 20 0 GFADRO CCOc1ccc(Br)cc1S(=O)(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000388296713 563520361 /nfs/dbraw/zinc/52/03/61/563520361.db2.gz UKNNBGLSMMSLKF-YPMHNXCESA-N 1 0 391.331 2.644 20 0 GFADRO C[C@@H]1C[C@H](N2CCOCC2)C[N@@H+]1CCC(=O)Nc1cccc(Br)c1 ZINC000285439241 563520759 /nfs/dbraw/zinc/52/07/59/563520759.db2.gz CSISTRDRKKWDKN-PBHICJAKSA-N 1 0 396.329 2.573 20 0 GFADRO CN(CC[N@H+](C)Cc1ccccc1)CC(=O)Nc1ccc(Br)cn1 ZINC000429693308 563521359 /nfs/dbraw/zinc/52/13/59/563521359.db2.gz ZWSIIBQKCCCTHA-UHFFFAOYSA-N 1 0 391.313 2.846 20 0 GFADRO [NH3+]CCC[C@H](NS(=O)(=O)c1cncc(Br)c1)c1ccccc1 ZINC000390714058 563523800 /nfs/dbraw/zinc/52/38/00/563523800.db2.gz ITVKQOQNGLOVNM-HNNXBMFYSA-N 1 0 384.299 2.603 20 0 GFADRO CN(C[C@@H]1CCC[N@H+](Cc2cc(Cl)cc3cccnc32)C1)S(C)(=O)=O ZINC000285503752 563524306 /nfs/dbraw/zinc/52/43/06/563524306.db2.gz FMVFHOCHRSGUKW-AWEZNQCLSA-N 1 0 381.929 2.992 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+]CCC1(O)CCOCC1 ZINC000285580179 563527034 /nfs/dbraw/zinc/52/70/34/563527034.db2.gz TZTCHOZMGRPYNO-UHFFFAOYSA-N 1 0 394.313 2.964 20 0 GFADRO C[C@H](CC(=O)NCc1cc(Br)c2c(c1)OCCO2)C1CC[NH2+]CC1 ZINC000429886820 563527064 /nfs/dbraw/zinc/52/70/64/563527064.db2.gz GUGJIBONGHXNCQ-GFCCVEGCSA-N 1 0 397.313 2.862 20 0 GFADRO C[NH+](C)C[C@H]1CCN(C(=O)c2cc(Br)cnc2OCC2CC2)C1 ZINC000285582396 563527988 /nfs/dbraw/zinc/52/79/88/563527988.db2.gz UDSLIJWWJTXYNV-CYBMUJFWSA-N 1 0 382.302 2.657 20 0 GFADRO COC[C@@](C)(O)C[NH2+]Cc1cc(Br)c(OC)c(Br)c1 ZINC000394550576 563530241 /nfs/dbraw/zinc/53/02/41/563530241.db2.gz AYYHFLNEPOBXAB-ZDUSSCGKSA-N 1 0 397.107 2.707 20 0 GFADRO C[C@@H]1C[C@H](C)N(S(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)C[C@@H]1C[NH3+] ZINC000397250782 563531711 /nfs/dbraw/zinc/53/17/11/563531711.db2.gz GQRSOKHTQSCTBL-VWYCJHECSA-N 1 0 382.860 2.935 20 0 GFADRO Cn1cc(C[NH+]2CCC(c3ccc(Cl)cc3Cl)CC2)c(=O)n(C)c1=O ZINC000430112740 563533010 /nfs/dbraw/zinc/53/30/10/563533010.db2.gz ZCEFVDMCTLAGHK-UHFFFAOYSA-N 1 0 382.291 2.770 20 0 GFADRO CC[C@@H]([NH2+][C@@H]1CCCN(S(C)(=O)=O)C1)c1ccc(Br)cc1 ZINC000400207238 563534207 /nfs/dbraw/zinc/53/42/07/563534207.db2.gz RIHGWIAEHBTVKK-HUUCEWRRSA-N 1 0 375.332 2.914 20 0 GFADRO CC[C@H]([NH2+][C@@H]1CCCN(S(C)(=O)=O)C1)c1cccc(Br)c1 ZINC000400173965 563534284 /nfs/dbraw/zinc/53/42/84/563534284.db2.gz LYHTUOHAJNQKIX-CABCVRRESA-N 1 0 375.332 2.914 20 0 GFADRO O[C@]1(CC[NH2+]Cc2ccc(OC(F)(F)F)c(Br)c2)CCOC1 ZINC000404215203 563537226 /nfs/dbraw/zinc/53/72/26/563537226.db2.gz XCACDPKEWOBAAH-CYBMUJFWSA-N 1 0 384.192 2.979 20 0 GFADRO C[C@@H]1C[C@H](N2CCOCC2)C[N@@H+]1C[C@H](O)COc1ccc(Cl)cc1Cl ZINC000285805921 563537484 /nfs/dbraw/zinc/53/74/84/563537484.db2.gz GCKNXSOPBAWHFL-KBMXLJTQSA-N 1 0 389.323 2.528 20 0 GFADRO Cc1cc(C[NH2+][C@H]2CCCC[C@@H]2NS(C)(=O)=O)sc1Br ZINC000331169504 563538305 /nfs/dbraw/zinc/53/83/05/563538305.db2.gz IWLSHOTWSWLAMP-RYUDHWBXSA-N 1 0 381.361 2.769 20 0 GFADRO Cc1cc(S(=O)(=O)N2CCC[C@H](C)[C@H]2CC[NH3+])sc1Br ZINC000405257946 563538744 /nfs/dbraw/zinc/53/87/44/563538744.db2.gz LTNPDHKJOCBQET-GXSJLCMTSA-N 1 0 381.361 2.957 20 0 GFADRO Cc1cc(Br)ccc1C[NH2+][C@@H]1CCCC[C@H]1NS(C)(=O)=O ZINC000331208551 563540803 /nfs/dbraw/zinc/54/08/03/563540803.db2.gz ZSCZBPJLSRXKLP-HUUCEWRRSA-N 1 0 375.332 2.708 20 0 GFADRO CC(C)[N@@H+]1CCC[C@H](NS(=O)(=O)c2ccc(OCC(F)(F)F)cc2)C1 ZINC000331229321 563541583 /nfs/dbraw/zinc/54/15/83/563541583.db2.gz GWJJSDFVYCTXHQ-ZDUSSCGKSA-N 1 0 380.432 2.779 20 0 GFADRO Cc1cc(Br)cc(C)c1N1CCC[C@@H](NC(=O)N[C@H]2CC[NH2+]C2)C1 ZINC000331380530 563547772 /nfs/dbraw/zinc/54/77/72/563547772.db2.gz GIFCBXHAWTXUFD-JKSUJKDBSA-N 1 0 395.345 2.696 20 0 GFADRO C[C@@H](Cc1ccncc1)[NH2+][C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430724934 563548154 /nfs/dbraw/zinc/54/81/54/563548154.db2.gz WDLUSRQNXCEGNG-RYUDHWBXSA-N 1 0 398.326 2.773 20 0 GFADRO COc1cc(C(=O)NC[C@H]2[NH2+]CCCC2(C)C)cc(OC)c1Br ZINC000430718994 563548208 /nfs/dbraw/zinc/54/82/08/563548208.db2.gz IFZBDTPYUJKPJA-CQSZACIVSA-N 1 0 385.302 2.974 20 0 GFADRO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NS(=O)(=O)c2sc(C)cc2C)cc1 ZINC000431020726 563551708 /nfs/dbraw/zinc/55/17/08/563551708.db2.gz DCVDEJLKXNFTQS-IRXDYDNUSA-N 1 0 380.535 2.798 20 0 GFADRO C[N@@H+]1CCC[C@@H]2CN(c3c(Br)cccc3S(C)(=O)=O)CC[C@@H]21 ZINC000286262586 563554144 /nfs/dbraw/zinc/55/41/44/563554144.db2.gz PYLDEGUPDKPZHM-OCCSQVGLSA-N 1 0 387.343 2.773 20 0 GFADRO CN(C(=O)Cc1ccccc1I)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000286313708 563555574 /nfs/dbraw/zinc/55/55/74/563555574.db2.gz UFBUUYQSYWWFSM-YIONKMFJSA-N 1 0 398.288 2.917 20 0 GFADRO C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)Nc1ccnn1-c1ccc(Br)cn1 ZINC000408455436 563557356 /nfs/dbraw/zinc/55/73/56/563557356.db2.gz YKWIDOXSUKTFPY-RYUDHWBXSA-N 1 0 393.289 2.586 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@@H](NC(=O)N[C@@H]2COc3cc(F)c(Br)cc32)C1 ZINC000331685367 563557825 /nfs/dbraw/zinc/55/78/25/563557825.db2.gz VAGNGVRDYITNTG-GPCCPHFNSA-N 1 0 386.265 2.804 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)c1ccn(-c2ccc(Br)cc2)n1)C1CC1 ZINC000431324178 563559099 /nfs/dbraw/zinc/55/90/99/563559099.db2.gz UMMVSCSQGMUKBH-MRXNPFEDSA-N 1 0 377.286 2.705 20 0 GFADRO O=C1[C@H](N2CC[C@@H](C(F)(F)F)[C@H](CO)C2)CCN1c1ccc(Cl)cc1 ZINC000286420504 563559533 /nfs/dbraw/zinc/55/95/33/563559533.db2.gz IIIOTAJTDOHBKQ-NILFDRSVSA-N 1 0 376.806 2.938 20 0 GFADRO CCN(C)C(=O)CCN(CCc1ccc(Cl)cc1Cl)CC(=O)OC ZINC000431368955 563559707 /nfs/dbraw/zinc/55/97/07/563559707.db2.gz JTGTWYQXLQECPY-UHFFFAOYSA-N 1 0 375.296 2.879 20 0 GFADRO CCOC(=O)CN(C[C@@H](O)COc1ccc(Br)cc1)C(C)(C)C ZINC000431374559 563559842 /nfs/dbraw/zinc/55/98/42/563559842.db2.gz HCPOKQBIXZOPHA-CQSZACIVSA-N 1 0 388.302 2.852 20 0 GFADRO O=C(Nc1ccc(Cl)cc1Cl)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000331783513 563562110 /nfs/dbraw/zinc/56/21/10/563562110.db2.gz IIRFKBOEVSWQJY-LBPRGKRZSA-N 1 0 385.295 2.669 20 0 GFADRO O=C(CC[N@@H+]1CC[C@@H](C(F)(F)F)[C@@H](CO)C1)NCc1ccccc1Cl ZINC000286503807 563562500 /nfs/dbraw/zinc/56/25/00/563562500.db2.gz MMRQNDKBKNBVEA-ZIAGYGMSSA-N 1 0 378.822 2.839 20 0 GFADRO CC1CC[NH+](C[C@@H](O)CNC(=O)Cc2csc(-c3cccs3)n2)CC1 ZINC000409714993 563569262 /nfs/dbraw/zinc/56/92/62/563569262.db2.gz YHHYPYDNPDCKMM-HNNXBMFYSA-N 1 0 379.551 2.623 20 0 GFADRO COc1ccc(NC(=O)C[NH2+][C@](C)(CO)c2ccc(Br)cc2)cc1 ZINC000286661942 563569478 /nfs/dbraw/zinc/56/94/78/563569478.db2.gz UPXBQKQWTCLHTK-GOSISDBHSA-N 1 0 393.281 2.894 20 0 GFADRO Cc1c([C@H]2[C@H]([NH2+]Cc3ccc(Br)c(C)c3)CC(=O)N2C)cnn1C ZINC000331988393 563570335 /nfs/dbraw/zinc/57/03/35/563570335.db2.gz LJHZRWUSCPNBKE-AEFFLSMTSA-N 1 0 391.313 2.861 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)Cc2nnnn2-c2ccccc2Br)C[C@H]1C ZINC000331998782 563570746 /nfs/dbraw/zinc/57/07/46/563570746.db2.gz ZRDNFEZOVLQVNQ-ZIAGYGMSSA-N 1 0 393.333 2.729 20 0 GFADRO C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)N1CCC[C@@](F)(CO)C1 ZINC000286734999 563572587 /nfs/dbraw/zinc/57/25/87/563572587.db2.gz DDZADUHISDIWAN-DYVFJYSZSA-N 1 0 387.293 2.592 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)NC[C@H](C)[N@H+](C)C2CC2)c(Br)c1 ZINC000432001137 563572539 /nfs/dbraw/zinc/57/25/39/563572539.db2.gz PEIPOXJMNGJEIE-LBPRGKRZSA-N 1 0 382.302 2.603 20 0 GFADRO COC(=O)c1cccc(NC(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)c1Br ZINC000332047358 563572945 /nfs/dbraw/zinc/57/29/45/563572945.db2.gz MBVNZYPPPMLGCO-JSGCOSHPSA-N 1 0 396.285 2.984 20 0 GFADRO COC(=O)c1cc(NC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)ccc1Br ZINC000332063423 563573341 /nfs/dbraw/zinc/57/33/41/563573341.db2.gz QSBYZENQBQEOGK-CABCVRRESA-N 1 0 396.285 2.984 20 0 GFADRO C[C@@H]1C[NH+](CCCNC(=O)c2cc(Br)cc(N(C)C)c2)C[C@@H](C)O1 ZINC000432053270 563574554 /nfs/dbraw/zinc/57/45/54/563574554.db2.gz OIFWDCSGMXTLLJ-ZIAGYGMSSA-N 1 0 398.345 2.744 20 0 GFADRO CCc1nc(C(=O)N2CC[C@H]([NH+](C)C)C2)nn1-c1c(Cl)cccc1Cl ZINC000332093540 563575691 /nfs/dbraw/zinc/57/56/91/563575691.db2.gz CSZAWUKIWGDSNY-NSHDSACASA-N 1 0 382.295 2.913 20 0 GFADRO C[C@@H]1C[C@H](C)[C@H](C(=O)Nc2cc(Br)ccc2N2CC[NH+](C)CC2)O1 ZINC000409995198 563577864 /nfs/dbraw/zinc/57/78/64/563577864.db2.gz WREPIRHRIJDICB-OGHNNQOOSA-N 1 0 396.329 2.953 20 0 GFADRO Cc1ccc(NC(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)cc1Br ZINC000332156241 563579683 /nfs/dbraw/zinc/57/96/83/563579683.db2.gz NVORJWJYAURPDY-HNNXBMFYSA-N 1 0 394.313 2.783 20 0 GFADRO C[C@H](Oc1ccc(Cl)cc1Br)C(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000432528652 563586160 /nfs/dbraw/zinc/58/61/60/563586160.db2.gz ALIBSUJMRXAAEM-GBIKHYSHSA-N 1 0 375.694 2.984 20 0 GFADRO CC(C)(O)C[NH+]1CCN(C(=O)N[C@@H]2CCc3cc(Br)ccc32)CC1 ZINC000332248631 563587673 /nfs/dbraw/zinc/58/76/73/563587673.db2.gz LGDKGQHRWSZALO-MRXNPFEDSA-N 1 0 396.329 2.535 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc1Br ZINC000332274137 563589561 /nfs/dbraw/zinc/58/95/61/563589561.db2.gz BAPOFUGBYCRFLN-GUTXKFCHSA-N 1 0 394.313 2.590 20 0 GFADRO C[C@@H]1CCN(C(=O)N[C@H]2COc3cc(F)c(Br)cc32)[C@H](C[NH3+])C1 ZINC000332316091 563592443 /nfs/dbraw/zinc/59/24/43/563592443.db2.gz NPEBGEYBQHHKIK-BFVZDQMLSA-N 1 0 386.265 2.791 20 0 GFADRO C[N@H+](CCO)C1CCN(C(=O)N[C@@H]2COc3c2ccc(Cl)c3Cl)CC1 ZINC000332336845 563593413 /nfs/dbraw/zinc/59/34/13/563593413.db2.gz RJMWGVZXAVFPFF-CQSZACIVSA-N 1 0 388.295 2.525 20 0 GFADRO CCC[N@H+](C)[C@H](CNC(=O)NCC1([S@](C)=O)CC1)c1ccc(Cl)cc1 ZINC000287249864 563593543 /nfs/dbraw/zinc/59/35/43/563593543.db2.gz QVFDAUSRWMZUAT-CPJLOUKISA-N 1 0 385.961 2.933 20 0 GFADRO C[N@H+](CCCNC(=O)C1CCC1)Cc1cc(Br)c2c(c1)OCCO2 ZINC000432814173 563593777 /nfs/dbraw/zinc/59/37/77/563593777.db2.gz SGXPMLRZTOHLPZ-UHFFFAOYSA-N 1 0 397.313 2.959 20 0 GFADRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)NCc3cc(F)c(F)cc3Br)C[C@@H]21 ZINC000332345843 563594261 /nfs/dbraw/zinc/59/42/61/563594261.db2.gz TUATYRGINILSHT-CCUNJIBTSA-N 1 0 388.256 2.996 20 0 GFADRO C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@H]2COc3c2ccc(Cl)c3Cl)C[C@@H]1C ZINC000332376325 563595595 /nfs/dbraw/zinc/59/55/95/563595595.db2.gz ZLTAPJWFKLUHAQ-MJVIPROJSA-N 1 0 388.295 2.523 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)CCCS(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000287303508 563595688 /nfs/dbraw/zinc/59/56/88/563595688.db2.gz DQHJTJBDSUSRCU-JKSUJKDBSA-N 1 0 386.945 2.883 20 0 GFADRO CCn1cc(Br)cc1C(=O)N1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000332408074 563597417 /nfs/dbraw/zinc/59/74/17/563597417.db2.gz DECBKDVBYJDDKB-ZBFHGGJFSA-N 1 0 384.318 2.629 20 0 GFADRO CNC(=O)c1cccc(C[NH+]2CCC(n3cc(Br)cn3)CC2)c1 ZINC000332463538 563600417 /nfs/dbraw/zinc/60/04/17/563600417.db2.gz QYWYQJJFLYYMGQ-UHFFFAOYSA-N 1 0 377.286 2.842 20 0 GFADRO C[N@H+](CCOc1ccc(S(N)(=O)=O)cc1)CCc1c(F)cccc1Cl ZINC000433047750 563600892 /nfs/dbraw/zinc/60/08/92/563600892.db2.gz YFVVOACMHRIDHN-UHFFFAOYSA-N 1 0 386.876 2.680 20 0 GFADRO C[C@H](O)C[N@@H+]1CCN(C(=O)NCc2nc3cc(Cl)ccc3s2)[C@@H](C)C1 ZINC000287436115 563600948 /nfs/dbraw/zinc/60/09/48/563600948.db2.gz GZSDPCXBPIDQRV-RYUDHWBXSA-N 1 0 382.917 2.546 20 0 GFADRO COC[C@H]([NH2+][C@@H](C)CC(=O)Nc1ccc(Br)cc1)[C@H]1CCCO1 ZINC000433015285 563601377 /nfs/dbraw/zinc/60/13/77/563601377.db2.gz WBWPKGKGUUQSJB-VBNZEHGJSA-N 1 0 385.302 2.950 20 0 GFADRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N1CCC(Oc2cccc(Br)c2)CC1 ZINC000332513369 563602624 /nfs/dbraw/zinc/60/26/24/563602624.db2.gz FPSJCSVLNPFRIG-CXAGYDPISA-N 1 0 396.329 3.000 20 0 GFADRO O=C(Nc1cccc(I)c1)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000332541464 563603106 /nfs/dbraw/zinc/60/31/06/563603106.db2.gz DCSKKVKHCANCNU-UHIISALHSA-N 1 0 385.249 2.801 20 0 GFADRO CC(C)[C@@H](C[NH3+])C(=O)NCC1(c2cccc(Br)c2)CCOCC1 ZINC000433130512 563604077 /nfs/dbraw/zinc/60/40/77/563604077.db2.gz RWYICJIWPUARER-MRXNPFEDSA-N 1 0 383.330 2.844 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC000332559944 563604132 /nfs/dbraw/zinc/60/41/32/563604132.db2.gz OHECMWQEDJYXGO-STQMWFEESA-N 1 0 382.302 2.685 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)C[N@H+]1CC[C@H](C)[C@H]1C ZINC000332574078 563604815 /nfs/dbraw/zinc/60/48/15/563604815.db2.gz XQNNFBVBMDCUAL-GXTWGEPZSA-N 1 0 396.329 2.885 20 0 GFADRO CCN(CC)S(=O)(=O)c1cc(NC(=O)[C@@H](C[NH3+])C(C)C)ccc1Cl ZINC000433159856 563605189 /nfs/dbraw/zinc/60/51/89/563605189.db2.gz NBLWQXVZYJEFKN-ZDUSSCGKSA-N 1 0 375.922 2.540 20 0 GFADRO Cc1cc(Br)cc(C[NH2+]C[C@]2(O)CCO[C@@H]2C)c1OC(F)F ZINC000433183004 563605406 /nfs/dbraw/zinc/60/54/06/563605406.db2.gz QJRPGNQUAWVDHK-MEBBXXQBSA-N 1 0 380.229 2.988 20 0 GFADRO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)Nc1c(F)cccc1Br ZINC000332585071 563605806 /nfs/dbraw/zinc/60/58/06/563605806.db2.gz JLRDFXRIETWYRT-NEPJUHHUSA-N 1 0 398.276 2.612 20 0 GFADRO OCC[N@H+](C[C@H](O)COc1cc(Cl)ccc1Cl)[C@@H]1CCCSC1 ZINC000433208894 563606613 /nfs/dbraw/zinc/60/66/13/563606613.db2.gz PJLRICRADXUQST-KGLIPLIRSA-N 1 0 380.337 2.923 20 0 GFADRO COC[C@H]([NH2+]Cc1cnn(-c2ccc(Br)cc2)c1)[C@@H]1CCCO1 ZINC000433203279 563606778 /nfs/dbraw/zinc/60/67/78/563606778.db2.gz AWEAZDIXJTXFQI-IRXDYDNUSA-N 1 0 380.286 2.918 20 0 GFADRO C[NH+](C)[C@@H]1CCCN([C@H]2CCN(c3cccc(Br)c3)C2=O)CC1 ZINC000433256626 563608530 /nfs/dbraw/zinc/60/85/30/563608530.db2.gz AYRCBVJPERLJSL-WBVHZDCISA-N 1 0 380.330 2.971 20 0 GFADRO CSc1cc(NC(=O)C(=O)NC2CC[NH+](CC3CC3)CC2)ccc1Cl ZINC000411173705 563608817 /nfs/dbraw/zinc/60/88/17/563608817.db2.gz NINCLTKDSSEKFC-UHFFFAOYSA-N 1 0 381.929 2.991 20 0 GFADRO C[C@@H]1CN(C(=O)C(=O)N2CCc3cc(Cl)c(Cl)cc3[C@H]2C)CC[C@@H]1[NH3+] ZINC000332634123 563608841 /nfs/dbraw/zinc/60/88/41/563608841.db2.gz VJRQOAIKDSECON-UVWXRNBGSA-N 1 0 384.307 2.635 20 0 GFADRO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1nc(-c2ccc(C)s2)cs1 ZINC000287630484 563611362 /nfs/dbraw/zinc/61/13/62/563611362.db2.gz NFZCMPPJYCGJBR-LLVKDONJSA-N 1 0 380.539 2.965 20 0 GFADRO CS(=O)(=O)N1CCC[C@H]([NH2+]Cc2cnc(-c3ccc(Cl)cc3)s2)C1 ZINC000332684465 563611895 /nfs/dbraw/zinc/61/18/95/563611895.db2.gz PNWLZVGFIFKLNV-AWEZNQCLSA-N 1 0 385.942 2.977 20 0 GFADRO O=C(NCC[NH2+][C@@H]1CCO[C@H](C(F)(F)F)C1)c1cccc(Br)c1 ZINC000287643322 563612102 /nfs/dbraw/zinc/61/21/02/563612102.db2.gz KZMRAXFANXYOJK-OLZOCXBDSA-N 1 0 395.219 2.878 20 0 GFADRO O=C(N[C@H]1CCSc2ccc(Cl)cc21)c1ncn([C@@H]2CCC[NH2+]C2)n1 ZINC000433407272 563612514 /nfs/dbraw/zinc/61/25/14/563612514.db2.gz AQPKWBOPKUHKIV-OCCSQVGLSA-N 1 0 377.901 2.823 20 0 GFADRO C[C@H]([NH2+][C@H]1CCOc2c(Br)cccc21)C(=O)NC(=O)NC(C)(C)C ZINC000332709923 563612562 /nfs/dbraw/zinc/61/25/62/563612562.db2.gz YNFIJNOCBMKERF-GWCFXTLKSA-N 1 0 398.301 2.875 20 0 GFADRO C[C@H](CC[NH+](C)C)NC(=O)Nc1ccc(-c2ccc(Br)s2)nn1 ZINC000433491381 563613770 /nfs/dbraw/zinc/61/37/70/563613770.db2.gz NWFMDXMWHJGJKQ-SNVBAGLBSA-N 1 0 398.330 3.429 20 0 GFADRO CCCNC(=O)CCC[NH+]1CCN(Cc2ccc(Br)cc2)CC1 ZINC000411316908 563614865 /nfs/dbraw/zinc/61/48/65/563614865.db2.gz BGHJDEXHXMKSIJ-UHFFFAOYSA-N 1 0 382.346 2.873 20 0 GFADRO O=S(=O)(NC[C@@H]1CC[N@@H+](C2CC2)C1)c1cc(Br)sc1Cl ZINC000433623035 563616407 /nfs/dbraw/zinc/61/64/07/563616407.db2.gz STZFLAXELVKMPW-QMMMGPOBSA-N 1 0 399.763 2.927 20 0 GFADRO Cc1cc(S(=O)(=O)NC[C@]2([NH+](C)C)CCSC2)sc1Br ZINC000433657413 563617721 /nfs/dbraw/zinc/61/77/21/563617721.db2.gz BHWUGQZQANHWHG-GFCCVEGCSA-N 1 0 399.401 2.535 20 0 GFADRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)Cc1ccccc1I ZINC000433751195 563619093 /nfs/dbraw/zinc/61/90/93/563619093.db2.gz YTJKVXKBLCWWJU-CYBMUJFWSA-N 1 0 386.277 2.634 20 0 GFADRO C[C@H]([NH2+]CCC(=O)NC(=O)NCC(F)(F)F)c1ccc(Br)cc1 ZINC000411461030 563620529 /nfs/dbraw/zinc/62/05/29/563620529.db2.gz VHCJNGJGQFQPNC-VIFPVBQESA-N 1 0 396.207 2.878 20 0 GFADRO C[C@@H]([NH2+]CCC(=O)NC(=O)NCC(F)(F)F)c1nc(C(C)(C)C)cs1 ZINC000411538137 563622369 /nfs/dbraw/zinc/62/23/69/563622369.db2.gz WJLNSZUPZXDINX-SECBINFHSA-N 1 0 380.436 2.869 20 0 GFADRO Cn1cc(Br)cc(NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)c1=O ZINC000333180992 563623178 /nfs/dbraw/zinc/62/31/78/563623178.db2.gz SIUGTUKUBGDBPW-GFCCVEGCSA-N 1 0 382.302 2.741 20 0 GFADRO [NH3+][C@@H]1CCO[C@H](C2CCN(C(=O)Cc3cc(F)ccc3Br)CC2)C1 ZINC000333237356 563625690 /nfs/dbraw/zinc/62/56/90/563625690.db2.gz DGWWCYBOTBNUTC-WBVHZDCISA-N 1 0 399.304 2.876 20 0 GFADRO O=C(Nc1ccc2nccnc2c1Br)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000333254638 563626146 /nfs/dbraw/zinc/62/61/46/563626146.db2.gz CZSKFIDTAAXWHA-GRYCIOLGSA-N 1 0 390.285 2.902 20 0 GFADRO C[NH+](C)C[C@H](NC(=O)Cc1cc[nH]c(=O)c1Br)c1ccc(F)cc1 ZINC000288034651 563626322 /nfs/dbraw/zinc/62/63/22/563626322.db2.gz DGONTZRDIFXGRV-AWEZNQCLSA-N 1 0 396.260 2.650 20 0 GFADRO [NH3+][C@@H]1CCO[C@@H](C2CCN(C(=O)c3cc(Br)ccc3F)CC2)C1 ZINC000333286163 563626588 /nfs/dbraw/zinc/62/65/88/563626588.db2.gz NIBOGDHDGBMTNX-CZUORRHYSA-N 1 0 385.277 2.947 20 0 GFADRO O=C(N[C@H]1CCOc2ccc(Br)cc21)N1CCC2(CC[NH2+]2)CC1 ZINC000333282939 563626711 /nfs/dbraw/zinc/62/67/11/563626711.db2.gz MTRLUNKKQCBECG-AWEZNQCLSA-N 1 0 380.286 2.810 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(C(=O)Nc3cc(Br)ccc3-n3cccn3)C[C@@H]21 ZINC000333276357 563626724 /nfs/dbraw/zinc/62/67/24/563626724.db2.gz WZVAGIQLZHRQIP-WBMJQRKESA-N 1 0 390.285 2.803 20 0 GFADRO Cc1cc(N2CCC[C@H]([NH2+][C@H]3CCC(=O)N[C@@H]3C)C2=O)ccc1Br ZINC000333269859 563626857 /nfs/dbraw/zinc/62/68/57/563626857.db2.gz HATVNUIEHPUDJD-KCXAZCMYSA-N 1 0 394.313 2.510 20 0 GFADRO [NH3+][C@@H]1CCO[C@@H](C2CCN(C(=O)c3c(F)cccc3Br)CC2)C1 ZINC000333331929 563627958 /nfs/dbraw/zinc/62/79/58/563627958.db2.gz WIXCEZMMZINUSB-IUODEOHRSA-N 1 0 385.277 2.947 20 0 GFADRO COCC[N@H+](CCC(=O)Nc1ccc(Br)cc1)[C@@H]1CCO[C@H]1C ZINC000411658441 563628283 /nfs/dbraw/zinc/62/82/83/563628283.db2.gz WMRULHDIKKPFGY-XJKSGUPXSA-N 1 0 385.302 2.904 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)C(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000411668665 563628293 /nfs/dbraw/zinc/62/82/93/563628293.db2.gz IVHNOXAASJYCKM-CYBMUJFWSA-N 1 0 382.302 2.544 20 0 GFADRO CC(C)[NH+]1CCC(NC(=O)CN[C@H](C)c2nc(C(F)(F)F)cs2)CC1 ZINC000411688177 563629616 /nfs/dbraw/zinc/62/96/16/563629616.db2.gz MYIVFQFOFSWTFM-LLVKDONJSA-N 1 0 378.464 2.802 20 0 GFADRO C[C@@H]1CN(C(=O)Nc2ccc(-c3ccc(Br)s3)nn2)CC[C@H]1[NH3+] ZINC000333397006 563630895 /nfs/dbraw/zinc/63/08/95/563630895.db2.gz YFFPPYJGJGJESV-NXEZZACHSA-N 1 0 396.314 3.169 20 0 GFADRO C[C@](CO)([NH2+]CCC(=O)Nc1ccccc1Br)c1cccc(O)c1 ZINC000411740941 563632422 /nfs/dbraw/zinc/63/24/22/563632422.db2.gz ZEJUZCJIMLGEOD-GOSISDBHSA-N 1 0 393.281 2.981 20 0 GFADRO C[N@@H+]1CCC[C@H](CNC(=O)NCC2([S@](C)=O)CCC2)[C@@H]1c1cccs1 ZINC000333448941 563632841 /nfs/dbraw/zinc/63/28/41/563632841.db2.gz NGIUTIVJQAFDQF-ZCBSFCEKSA-N 1 0 383.583 2.731 20 0 GFADRO C[N@@H+]1CCC[C@H](CNC(=O)NCC2([S@](C)=O)CCC2)[C@H]1c1cccs1 ZINC000333448939 563632879 /nfs/dbraw/zinc/63/28/79/563632879.db2.gz NGIUTIVJQAFDQF-YHSMVDSJSA-N 1 0 383.583 2.731 20 0 GFADRO C[N@@H+]1CCC[C@H](CNC(=O)NCC2([S@@](C)=O)CCC2)[C@@H]1c1cccs1 ZINC000333448935 563632953 /nfs/dbraw/zinc/63/29/53/563632953.db2.gz NGIUTIVJQAFDQF-MJBQAUCRSA-N 1 0 383.583 2.731 20 0 GFADRO Cc1cc(C(=O)N2CC[NH2+][C@H](C)[C@H]2C)nn1-c1ccc(Br)cc1 ZINC000434702041 563635067 /nfs/dbraw/zinc/63/50/67/563635067.db2.gz IZGBMQMIRFFQBY-CHWSQXEVSA-N 1 0 377.286 2.766 20 0 GFADRO O=C(CC[NH2+][C@H]1CCCC[C@H]1CC(F)(F)F)NC(=O)NCC(F)(F)F ZINC000411801954 563635950 /nfs/dbraw/zinc/63/59/50/563635950.db2.gz UVFBQSRWQKTEQD-UWVGGRQHSA-N 1 0 377.329 2.865 20 0 GFADRO C[C@@H](C(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+])c1ccc(Cl)c(Cl)c1 ZINC000434711625 563635966 /nfs/dbraw/zinc/63/59/66/563635966.db2.gz QGOPITIMNBVREG-TZMCWYRMSA-N 1 0 386.323 2.943 20 0 GFADRO C[C@H](CN1CCOCC1)[N@H+](C)CCOc1cc(F)cc(Br)c1 ZINC000434710926 563636477 /nfs/dbraw/zinc/63/64/77/563636477.db2.gz KVZJHEXCZFHGDN-CYBMUJFWSA-N 1 0 375.282 2.620 20 0 GFADRO [NH3+][C@@H]1CCO[C@@H](C2CCN(S(=O)(=O)c3c(Cl)ccc(F)c3F)CC2)C1 ZINC000333630922 563637405 /nfs/dbraw/zinc/63/74/05/563637405.db2.gz GPVSGYSWDQWFFP-BXUZGUMPSA-N 1 0 394.871 2.525 20 0 GFADRO CC[NH+]1CCN(CCC(=O)N[C@@H](CCO)c2ccc(Cl)c(Cl)c2)CC1 ZINC000288309398 563637527 /nfs/dbraw/zinc/63/75/27/563637527.db2.gz ILBKJAZQQHOODU-KRWDZBQOSA-N 1 0 388.339 2.561 20 0 GFADRO CC1(C[NH2+]C[C@H](O)COc2ccc(I)cc2)CCC1 ZINC000434771722 563637900 /nfs/dbraw/zinc/63/79/00/563637900.db2.gz DEWWYTFSEJHFOS-ZDUSSCGKSA-N 1 0 375.250 2.811 20 0 GFADRO [NH3+][C@H]1CCCO[C@@H]1C1CCN(S(=O)(=O)Cc2ccc(Cl)c(F)c2)CC1 ZINC000333686951 563639385 /nfs/dbraw/zinc/63/93/85/563639385.db2.gz PIVXQXALRYQPPL-DLBZAZTESA-N 1 0 390.908 2.527 20 0 GFADRO [NH3+][C@H]1CCO[C@@H](C2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)C1 ZINC000333697927 563639840 /nfs/dbraw/zinc/63/98/40/563639840.db2.gz QKJKAWALSHLJMQ-DZGCQCFKSA-N 1 0 393.336 2.900 20 0 GFADRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)NCc1cc(F)c(Cl)cc1F ZINC000434864154 563639821 /nfs/dbraw/zinc/63/98/21/563639821.db2.gz GEUXATOGOYKRGC-ZDUSSCGKSA-N 1 0 375.847 2.870 20 0 GFADRO C[C@H](NC(=O)N1CCOc2ccc(Br)cc2C1)[C@H]1CCC[NH2+]C1 ZINC000333731715 563640693 /nfs/dbraw/zinc/64/06/93/563640693.db2.gz WETCIXJQQWKURI-STQMWFEESA-N 1 0 382.302 2.741 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)N[C@H]3COc4cc(F)c(Br)cc43)C[C@@H]21 ZINC000333845673 563643766 /nfs/dbraw/zinc/64/37/66/563643766.db2.gz WDVPXINNKGWYCF-QFEPDWEUSA-N 1 0 398.276 2.791 20 0 GFADRO O=C(N[C@@H]1COc2cc(F)c(Br)cc21)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000333854779 563643787 /nfs/dbraw/zinc/64/37/87/563643787.db2.gz YAVAFEFIAUDHDW-ISTVAULSSA-N 1 0 384.249 2.558 20 0 GFADRO CC(=O)NC1CCC([NH2+]Cc2cnc3c(C)cc(Br)cn23)CC1 ZINC000288483046 563644889 /nfs/dbraw/zinc/64/48/89/563644889.db2.gz PZHUFWQJVXJRIX-UHFFFAOYSA-N 1 0 379.302 2.942 20 0 GFADRO COC1([C@@H](C)[NH2+]CCS(=O)(=O)c2cccc(Br)c2)CCC1 ZINC000412018858 563645025 /nfs/dbraw/zinc/64/50/25/563645025.db2.gz CTNDRTNVDRDSOX-GFCCVEGCSA-N 1 0 376.316 2.770 20 0 GFADRO [NH3+][C@H]1CCc2nc(NC(=O)Cc3cc(Cl)c4c(c3)OCCO4)sc2C1 ZINC000288491163 563645580 /nfs/dbraw/zinc/64/55/80/563645580.db2.gz APMKPHNTZMXFLE-JTQLQIEISA-N 1 0 379.869 2.565 20 0 GFADRO Cc1cccc(S(=O)(=O)NCC[N@H+]2CCCC[C@H]2C)c1Br ZINC000435221715 563646201 /nfs/dbraw/zinc/64/62/01/563646201.db2.gz ZRINIASSUHVOBL-CYBMUJFWSA-N 1 0 375.332 2.910 20 0 GFADRO Cc1cccc(S(=O)(=O)NCC[N@H+]2CCC[C@@H](C)C2)c1Br ZINC000435220606 563646308 /nfs/dbraw/zinc/64/63/08/563646308.db2.gz QGARIGIIVBJEPU-GFCCVEGCSA-N 1 0 375.332 2.768 20 0 GFADRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)N[C@@H]3CCOc4ccc(Br)cc43)C[C@@H]12 ZINC000333947852 563646512 /nfs/dbraw/zinc/64/65/12/563646512.db2.gz VUUIPZVTUXNLAE-JUDXGUMMSA-N 1 0 380.286 2.651 20 0 GFADRO COC(=O)[C@H]1CSCC[N@H+](CC(=O)N(C)[C@H](C)c2ccc(Cl)cc2)C1 ZINC000412074587 563646939 /nfs/dbraw/zinc/64/69/39/563646939.db2.gz LVGWAAKRHQURSW-UKRRQHHQSA-N 1 0 384.929 2.697 20 0 GFADRO COc1ccc(Br)cc1C(=O)CCC(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000435234363 563646977 /nfs/dbraw/zinc/64/69/77/563646977.db2.gz GAFXRTVZPBLVCF-AWEZNQCLSA-N 1 0 395.297 2.774 20 0 GFADRO O=C(c1cc(=O)[nH]c2c(Br)cccc12)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000435241827 563647032 /nfs/dbraw/zinc/64/70/32/563647032.db2.gz WKMVEZDUJPSPOS-LLVKDONJSA-N 1 0 376.254 2.669 20 0 GFADRO CC(C)[N@@H+](CC(=O)N(C)Cc1cc(Cl)cc(Cl)c1)C[C@H]1CCC(=O)N1 ZINC000412094252 563647660 /nfs/dbraw/zinc/64/76/60/563647660.db2.gz XAKMSAUVTHEXQL-MRXNPFEDSA-N 1 0 386.323 2.941 20 0 GFADRO COC(=O)c1ccc(Br)cc1C[N@H+](C[C@@H]1CCC(=O)N1)C(C)C ZINC000412087827 563647865 /nfs/dbraw/zinc/64/78/65/563647865.db2.gz RWJKQGRNMVBWGQ-AWEZNQCLSA-N 1 0 383.286 2.725 20 0 GFADRO C[C@@H](C(=O)N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1)N1CCOCC1 ZINC000435354078 563648183 /nfs/dbraw/zinc/64/81/83/563648183.db2.gz KUZAYGAQVTYRPD-RYUDHWBXSA-N 1 0 377.432 2.589 20 0 GFADRO C[C@H](CN1CCOCC1)N(C)C(=O)c1nc2ccccc2cc1Br ZINC000288585711 563648807 /nfs/dbraw/zinc/64/88/07/563648807.db2.gz CSEAWZMKMSAZJP-CYBMUJFWSA-N 1 0 392.297 2.790 20 0 GFADRO CNc1cc(I)ccc1C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000412177417 563649977 /nfs/dbraw/zinc/64/99/77/563649977.db2.gz BBCXKLNIVSSWCE-MEBBXXQBSA-N 1 0 399.276 2.545 20 0 GFADRO CS[C@H]1CN(C(=O)c2nc(C)sc2Br)C[C@H]1[NH+]1CCCC1 ZINC000412251620 563651816 /nfs/dbraw/zinc/65/18/16/563651816.db2.gz LLTMRYULLXGJEV-MNOVXSKESA-N 1 0 390.372 2.866 20 0 GFADRO CC1(C)CN(C(=O)C2CC[NH+]([C@H]3CCSC3)CC2)C[C@H](C(F)(F)F)O1 ZINC000412356280 563654842 /nfs/dbraw/zinc/65/48/42/563654842.db2.gz FZPASRJNOWADEH-UONOGXRCSA-N 1 0 380.476 2.772 20 0 GFADRO C[C@@H](CNC(=O)CCc1nnc(-c2cc(F)ccc2Br)o1)[NH+](C)C ZINC000412388506 563655755 /nfs/dbraw/zinc/65/57/55/563655755.db2.gz OUFWFHYVCLSFTF-JTQLQIEISA-N 1 0 399.264 2.637 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000435895923 563660358 /nfs/dbraw/zinc/66/03/58/563660358.db2.gz BBPMRYMVFBHTML-FZKQIMNGSA-N 1 0 394.313 2.592 20 0 GFADRO O=C([C@@H]1C[N@@H+]2CCN1CCC2)N1CCC[C@H]1c1ccc(Br)c(F)c1 ZINC000435969707 563661329 /nfs/dbraw/zinc/66/13/29/563661329.db2.gz YUQVSVNWDZNSND-IRXDYDNUSA-N 1 0 396.304 2.642 20 0 GFADRO C[S@@](=O)c1ccc(CC(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)cc1 ZINC000436071318 563663665 /nfs/dbraw/zinc/66/36/65/563663665.db2.gz PFVDAWMOODQGOI-CRICUBBOSA-N 1 0 376.547 2.981 20 0 GFADRO COc1cc(Br)c(Cc2noc([C@@H]3CC[N@H+](C)C3)n2)cc1OC ZINC000349923799 563666526 /nfs/dbraw/zinc/66/65/26/563666526.db2.gz SISVYBKMIVDCRB-SNVBAGLBSA-N 1 0 382.258 2.859 20 0 GFADRO O=C(Nc1cc(Cl)cc(Cl)c1)N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000436373790 563670003 /nfs/dbraw/zinc/67/00/03/563670003.db2.gz UHYXXLVLIGCOSG-UHFFFAOYSA-N 1 0 388.295 2.684 20 0 GFADRO COCCCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000289507862 563676411 /nfs/dbraw/zinc/67/64/11/563676411.db2.gz KMOFDEVYPDQJJX-UHFFFAOYSA-N 1 0 396.340 2.510 20 0 GFADRO CCC(CC)[N@H+](CC)CC(=O)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1 ZINC000289520736 563677019 /nfs/dbraw/zinc/67/70/19/563677019.db2.gz VOSAPQBQXCDEQB-INIZCTEOSA-N 1 0 386.583 2.774 20 0 GFADRO CN(C[C@H]1CCCN(Cc2ccc(OC(F)F)c(F)c2)C1)S(C)(=O)=O ZINC000289530701 563677275 /nfs/dbraw/zinc/67/72/75/563677275.db2.gz PWXZIDRJOOZRSS-CYBMUJFWSA-N 1 0 380.432 2.531 20 0 GFADRO CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+]CCc2nnc(C)s2)cc1 ZINC000289556478 563678595 /nfs/dbraw/zinc/67/85/95/563678595.db2.gz ACNDRMCXAZTRKN-ZDUSSCGKSA-N 1 0 382.555 2.770 20 0 GFADRO COC(=O)[C@H]1CN(C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)CC[N@H+](C)C1 ZINC000413049969 563680575 /nfs/dbraw/zinc/68/05/75/563680575.db2.gz UEQZEQCPCNLHFJ-VXGBXAGGSA-N 1 0 388.295 2.801 20 0 GFADRO OC1(C[NH2+]Cc2cc(Br)cc(Br)c2)CCOCC1 ZINC000289736733 563685114 /nfs/dbraw/zinc/68/51/14/563685114.db2.gz MZVLGLMVXKWTRC-UHFFFAOYSA-N 1 0 379.092 2.843 20 0 GFADRO COCCC[N@H+](C)CCNC(=O)NCc1cc(Cl)cc(Br)c1 ZINC000413311389 563688870 /nfs/dbraw/zinc/68/88/70/563688870.db2.gz IIDSJJCFIDWUIG-UHFFFAOYSA-N 1 0 392.725 2.870 20 0 GFADRO OCc1cn(CCC[NH2+]Cc2cc(Br)cc(C(F)(F)F)c2)nn1 ZINC000289883508 563689981 /nfs/dbraw/zinc/68/99/81/563689981.db2.gz PWEJIQAVNSXPJQ-UHFFFAOYSA-N 1 0 393.207 2.732 20 0 GFADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)c3cc(=O)[nH]c4c(Br)cccc34)[C@H]2C1 ZINC000360023316 563691087 /nfs/dbraw/zinc/69/10/87/563691087.db2.gz YTEKSHPQRJXXSW-ABAIWWIYSA-N 1 0 390.281 2.869 20 0 GFADRO C[C@@H]([NH2+]Cc1ccc(S(=O)(=O)N(C)C)cc1)c1ccc(Br)nc1 ZINC000289929641 563691427 /nfs/dbraw/zinc/69/14/27/563691427.db2.gz VNTNJNINZXGLKW-GFCCVEGCSA-N 1 0 398.326 2.945 20 0 GFADRO CC(C)Cn1cc(C[NH2+][C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)cn1 ZINC000289941605 563692279 /nfs/dbraw/zinc/69/22/79/563692279.db2.gz BDIDIWQOOPRYNV-MRXNPFEDSA-N 1 0 382.555 2.544 20 0 GFADRO Cc1cc(Br)oc1C(=O)N[C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@@H]1C ZINC000360535498 563692980 /nfs/dbraw/zinc/69/29/80/563692980.db2.gz CUECBFMZSLIZFF-BFHYXJOUSA-N 1 0 385.302 2.970 20 0 GFADRO C[NH+](C)CCOc1cc(-c2noc(-c3nc(Br)cs3)n2)ccn1 ZINC000290004841 563694366 /nfs/dbraw/zinc/69/43/66/563694366.db2.gz GAFKVSVIZVAZHV-UHFFFAOYSA-N 1 0 396.270 2.958 20 0 GFADRO COc1ccc(Br)cc1CN1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000360694020 563694564 /nfs/dbraw/zinc/69/45/64/563694564.db2.gz VLVVFXNHHKMCRB-CRAIPNDOSA-N 1 0 396.373 2.916 20 0 GFADRO NC(=O)[C@@H]([NH2+]C[C@@H]1CC(=O)Nc2ccccc21)c1ccc(Br)cc1 ZINC000361038017 563696172 /nfs/dbraw/zinc/69/61/72/563696172.db2.gz YCTANMDFFYOCSK-SJCJKPOMSA-N 1 0 388.265 2.691 20 0 GFADRO Cc1ccc(-n2nc(Br)cc2C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000290134129 563699388 /nfs/dbraw/zinc/69/93/88/563699388.db2.gz MAJNIVLLFTWWOS-ZIAGYGMSSA-N 1 0 389.297 2.625 20 0 GFADRO CCS(=O)(=O)c1cc(Cl)cc(CNC(=O)N(CC[NH+](C)C)C(C)C)c1 ZINC000413639258 563699944 /nfs/dbraw/zinc/69/99/44/563699944.db2.gz KCOFQIQITIPQCJ-UHFFFAOYSA-N 1 0 389.949 2.615 20 0 GFADRO C[NH+](C)CCOc1cc(-c2noc(-c3ncsc3Br)n2)ccn1 ZINC000290170478 563700089 /nfs/dbraw/zinc/70/00/89/563700089.db2.gz UKWSUDNYCBNEPC-UHFFFAOYSA-N 1 0 396.270 2.958 20 0 GFADRO Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)NC[C@H]1CC[N@@H+](CC(C)C)C1 ZINC000290278735 563703798 /nfs/dbraw/zinc/70/37/98/563703798.db2.gz BZFJQBUUZBOKPX-GFCCVEGCSA-N 1 0 380.842 2.958 20 0 GFADRO C[C@]1([C@@H]2CCC[N@@H+]([C@H]3CCc4c3cccc4Br)C2)NC(=O)NC1=O ZINC000362139373 563703800 /nfs/dbraw/zinc/70/38/00/563703800.db2.gz FJEWDPVKCRBAMB-DJCROIMJSA-N 1 0 392.297 2.747 20 0 GFADRO C[NH+](C)[C@@H]1CCCN(C(=O)C2(c3cccc(Br)c3)CC(=O)C2)CC1 ZINC000290324769 563705217 /nfs/dbraw/zinc/70/52/17/563705217.db2.gz BZHBXBMUMCWGCH-MRXNPFEDSA-N 1 0 393.325 2.993 20 0 GFADRO O=C(N[C@@H](CO)C[NH+]1CCCCC1)c1cc(Cl)c(Br)cc1F ZINC000413795703 563705820 /nfs/dbraw/zinc/70/58/20/563705820.db2.gz FTFKSDFSIMCXHL-SNVBAGLBSA-N 1 0 393.684 2.818 20 0 GFADRO CC[NH+](CC)CCN(Cc1cccs1)C(=O)NCC1([S@](C)=O)CCC1 ZINC000438613876 563708035 /nfs/dbraw/zinc/70/80/35/563708035.db2.gz VMXBIQFVTMIFEX-VWLOTQADSA-N 1 0 385.599 2.903 20 0 GFADRO Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)Nc1cc(C[NH+](C)C)ccn1 ZINC000290531530 563712894 /nfs/dbraw/zinc/71/28/94/563712894.db2.gz YTUZLEHNKYCBBI-UHFFFAOYSA-N 1 0 375.782 2.959 20 0 GFADRO Brc1ccn2cc(C[N@@H+]3CCC[C@@H](Cn4ccnn4)C3)nc2c1 ZINC000290512928 563712947 /nfs/dbraw/zinc/71/29/47/563712947.db2.gz UACJMQBXIULXIS-CYBMUJFWSA-N 1 0 375.274 2.601 20 0 GFADRO C[C@@H](CN1CCC[C@H](C)C1)[NH2+]C1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000363160202 563715545 /nfs/dbraw/zinc/71/55/45/563715545.db2.gz ALCWZDOOHPSXKZ-HOTGVXAUSA-N 1 0 385.599 2.611 20 0 GFADRO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NC1CCN(Cc2cccc(Br)c2)CC1 ZINC000414057315 563717451 /nfs/dbraw/zinc/71/74/51/563717451.db2.gz RJANVBRRBFGBPP-KSSFIOAISA-N 1 0 394.357 2.727 20 0 GFADRO O=C(Cc1cccc(Br)c1)N1CCC[N@@H+](C2CCOCC2)CC1 ZINC000363238743 563717447 /nfs/dbraw/zinc/71/74/47/563717447.db2.gz JCCMWYDYBOXCJB-UHFFFAOYSA-N 1 0 381.314 2.705 20 0 GFADRO CCS(=O)(=O)N1CC(C[NH2+][C@H](CSC)c2ccc(C(F)(F)F)cc2)C1 ZINC000439132432 563717553 /nfs/dbraw/zinc/71/75/53/563717553.db2.gz QCAYJTCFHPGKMY-OAHLLOKOSA-N 1 0 396.500 2.981 20 0 GFADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@H]1CCCC[C@H]1n1cccn1 ZINC000414096153 563718860 /nfs/dbraw/zinc/71/88/60/563718860.db2.gz HJFMAPKHXSZTCA-VNQPRFMTSA-N 1 0 379.302 2.969 20 0 GFADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@@H]1CCCC[C@@H]1n1cccn1 ZINC000414096147 563718900 /nfs/dbraw/zinc/71/89/00/563718900.db2.gz HJFMAPKHXSZTCA-BMFZPTHFSA-N 1 0 379.302 2.969 20 0 GFADRO C[NH+]1CCN(C[C@H](O)COc2c(Cl)ccc(Cl)c2Br)CC1 ZINC000414131047 563720231 /nfs/dbraw/zinc/72/02/31/563720231.db2.gz YPDPELNUZJCCOV-JTQLQIEISA-N 1 0 398.128 2.743 20 0 GFADRO C[C@@H]([NH2+][C@@H](C)Cn1cc(Br)ccc1=O)c1ccc(NC(N)=O)cc1 ZINC000414127418 563720344 /nfs/dbraw/zinc/72/03/44/563720344.db2.gz SGIUIDZMGFPMBB-NWDGAFQWSA-N 1 0 393.285 2.841 20 0 GFADRO CO[C@H](C[NH2+][C@@H](C)Cn1cc(Br)ccc1=O)Cc1ccccc1 ZINC000414136248 563720420 /nfs/dbraw/zinc/72/04/20/563720420.db2.gz IURCHWXDMFQHOI-YOEHRIQHSA-N 1 0 379.298 2.847 20 0 GFADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@H](C)c1ccc(NC(N)=O)cc1 ZINC000414127422 563720506 /nfs/dbraw/zinc/72/05/06/563720506.db2.gz SGIUIDZMGFPMBB-VXGBXAGGSA-N 1 0 393.285 2.841 20 0 GFADRO CN(C)S(=O)(=O)n1ccnc1CN[C@H](c1ccc(Cl)cc1)C1CCC1 ZINC000290783275 563721183 /nfs/dbraw/zinc/72/11/83/563721183.db2.gz CMENPNHVPHRWIW-KRWDZBQOSA-N 1 0 382.917 2.822 20 0 GFADRO C[C@@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH2+]C[C@@H]1CNC(=O)C1 ZINC000414179903 563721784 /nfs/dbraw/zinc/72/17/84/563721784.db2.gz AXDKFIQZELYGIZ-VHSXEESVSA-N 1 0 377.794 2.802 20 0 GFADRO Brc1ccc2c(c1)[C@@H]([NH2+]CC1(N3CCOCC3)CCOCC1)CC2 ZINC000414196997 563721972 /nfs/dbraw/zinc/72/19/72/563721972.db2.gz XITQUFNEQYYMEQ-SFHVURJKSA-N 1 0 395.341 2.907 20 0 GFADRO C[C@H]([NH2+]C[C@@H](O)CS(=O)(=O)c1cccs1)c1nccc2ccccc21 ZINC000290821998 563722755 /nfs/dbraw/zinc/72/27/55/563722755.db2.gz WZUBLHGQDMJWOF-DZGCQCFKSA-N 1 0 376.503 2.782 20 0 GFADRO Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000290812673 563722938 /nfs/dbraw/zinc/72/29/38/563722938.db2.gz OAYBUYYLQGLVBL-GFCCVEGCSA-N 1 0 378.826 2.951 20 0 GFADRO C[C@H](C[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1)c1ccccc1 ZINC000414245026 563723267 /nfs/dbraw/zinc/72/32/67/563723267.db2.gz BLHWQYKFLDFRMH-GFCCVEGCSA-N 1 0 383.311 2.990 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+]CC2(c3ccccc3)CC2)cc1Br ZINC000414268538 563723916 /nfs/dbraw/zinc/72/39/16/563723916.db2.gz ODVFXMIECCNYTG-UHFFFAOYSA-N 1 0 395.322 2.918 20 0 GFADRO CN1CCO[C@@H]([C@@H]([NH2+]CCC(C)(C)S(C)(=O)=O)c2ccc(Cl)cc2)C1 ZINC000414263601 563724111 /nfs/dbraw/zinc/72/41/11/563724111.db2.gz PIRZJYZISQBKBA-SJORKVTESA-N 1 0 388.961 2.515 20 0 GFADRO Cc1ccc([C@H]2CSCCN2C[C@H](O)c2ccc(S(C)(=O)=O)cc2)o1 ZINC000363505766 563724278 /nfs/dbraw/zinc/72/42/78/563724278.db2.gz AFCHKLKILMHYFT-SJORKVTESA-N 1 0 381.519 2.815 20 0 GFADRO C[N@H+](C[C@@H](O)COc1cc(F)cc(Br)c1)CC1(O)CCCC1 ZINC000439434877 563724797 /nfs/dbraw/zinc/72/47/97/563724797.db2.gz FHMJDPKVFTYCDX-CQSZACIVSA-N 1 0 376.266 2.565 20 0 GFADRO C[C@H](COc1ccc(F)cc1F)[NH2+]Cc1ccc(S(N)(=O)=O)c(Cl)c1 ZINC000414293624 563725489 /nfs/dbraw/zinc/72/54/89/563725489.db2.gz BPPVCBBTSAVBIT-SNVBAGLBSA-N 1 0 390.839 2.823 20 0 GFADRO CC[C@@H]1CO[C@H](C)C[N@@H+]1C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000439460174 563726831 /nfs/dbraw/zinc/72/68/31/563726831.db2.gz WZRLTTODDUWFEW-KCPJHIHWSA-N 1 0 376.266 2.827 20 0 GFADRO O[C@@H](COc1cc(F)cc(Br)c1)C[N@@H+]1CCC2(C1)CCOCC2 ZINC000439464695 563726840 /nfs/dbraw/zinc/72/68/40/563726840.db2.gz UVXVLGVHSZJUQV-OAHLLOKOSA-N 1 0 388.277 2.830 20 0 GFADRO COc1cccc(OCCC[NH2+]Cc2ccc(S(N)(=O)=O)c(Cl)c2)c1 ZINC000414357973 563729169 /nfs/dbraw/zinc/72/91/69/563729169.db2.gz KVCTTZORGQUFML-UHFFFAOYSA-N 1 0 384.885 2.555 20 0 GFADRO C[NH+](C)CCC(=O)Nc1ccc(NCc2ccc(S(C)(=O)=O)s2)cc1 ZINC000414363768 563730019 /nfs/dbraw/zinc/73/00/19/563730019.db2.gz WYYLXJKVFCGYOQ-UHFFFAOYSA-N 1 0 381.523 2.654 20 0 GFADRO CC[NH+]1CCN(CCC(=O)N[C@H]2C[C@H](c3ccc(Br)cc3)C2)CC1 ZINC000291027820 563730289 /nfs/dbraw/zinc/73/02/89/563730289.db2.gz FYHBUGJBMIODFP-SAABIXHNSA-N 1 0 394.357 2.839 20 0 GFADRO C[C@@H](CC(=O)N1CCN([C@@H]2CCOC2)CC1)c1ccc(Br)cc1 ZINC000363711324 563731093 /nfs/dbraw/zinc/73/10/93/563731093.db2.gz PYRKRZJJVBZSGR-WMLDXEAASA-N 1 0 381.314 2.876 20 0 GFADRO COCCC[N@@H+]1CCCN(C(=O)c2cc(Br)ncc2Cl)CC1 ZINC000363754254 563732250 /nfs/dbraw/zinc/73/22/50/563732250.db2.gz YTYHIASXGATOBI-UHFFFAOYSA-N 1 0 390.709 2.682 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+][C@@H]2CCCC(F)(F)C2)cc1Br ZINC000414386031 563732458 /nfs/dbraw/zinc/73/24/58/563732458.db2.gz XPWQNYDNCDGOTD-SNVBAGLBSA-N 1 0 383.258 2.764 20 0 GFADRO CS[C@@H]1CCC[C@H]([NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)C1 ZINC000414392607 563733141 /nfs/dbraw/zinc/73/31/41/563733141.db2.gz MZOYGJAUTQRQLM-NWDGAFQWSA-N 1 0 393.372 2.860 20 0 GFADRO CC(C)[N@@H+]1CCC[C@H](NS(=O)(=O)N(C)Cc2c(F)cccc2Cl)C1 ZINC000440087741 563736349 /nfs/dbraw/zinc/73/63/49/563736349.db2.gz KRALNNQPSPWDEY-ZDUSSCGKSA-N 1 0 377.913 2.618 20 0 GFADRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NS(=O)(=O)c1ccc(F)cc1Br ZINC000440084513 563736407 /nfs/dbraw/zinc/73/64/07/563736407.db2.gz WRUZLBMAWFFEMZ-NWDGAFQWSA-N 1 0 393.322 2.987 20 0 GFADRO Cc1cc(Br)cc(C)c1S(=O)(=O)N1CCC([C@@H](C)[NH3+])CC1 ZINC000440356556 563740197 /nfs/dbraw/zinc/74/01/97/563740197.db2.gz OYGFFDZIIVQNOE-GFCCVEGCSA-N 1 0 375.332 2.814 20 0 GFADRO CC(C)C[C@H](C[NH3+])NS(=O)(=O)c1cc(Br)sc1Cl ZINC000440415123 563741401 /nfs/dbraw/zinc/74/14/01/563741401.db2.gz QBNSNNDUXVGWES-SSDOTTSWSA-N 1 0 375.741 2.816 20 0 GFADRO Cc1c(S(=O)(=O)NCC[C@@H]2CCC[NH2+]C2)cnn1-c1ccc(Cl)cc1 ZINC000440405439 563741517 /nfs/dbraw/zinc/74/15/17/563741517.db2.gz DOOHTXYMODSWID-AWEZNQCLSA-N 1 0 382.917 2.502 20 0 GFADRO Cc1c(Br)cc(C[NH2+]C[C@@H]2CNC(=O)C2)cc1Br ZINC000414477416 563743495 /nfs/dbraw/zinc/74/34/95/563743495.db2.gz BQVACOYWYMQCIW-SNVBAGLBSA-N 1 0 376.092 2.746 20 0 GFADRO C[NH+]1CCC(Oc2cc(NC(=O)CSCc3cscn3)ccn2)CC1 ZINC000364194238 563745376 /nfs/dbraw/zinc/74/53/76/563745376.db2.gz HDYMCCHEGSOVGL-UHFFFAOYSA-N 1 0 378.523 2.883 20 0 GFADRO Cc1cc(Br)cn2c(C[NH2+]CCC(C)(C)S(C)(=O)=O)cnc12 ZINC000414517124 563746059 /nfs/dbraw/zinc/74/60/59/563746059.db2.gz QLFIFTVTBHARJR-UHFFFAOYSA-N 1 0 388.331 2.708 20 0 GFADRO C[NH+]1CCC(N2CC[C@H](NC(=O)CSCc3cccc(Cl)c3)C2)CC1 ZINC000364205254 563746145 /nfs/dbraw/zinc/74/61/45/563746145.db2.gz GMVQQNJJIZUXCK-KRWDZBQOSA-N 1 0 381.973 2.858 20 0 GFADRO C[N@H+](Cc1cn2ccc(Br)cc2n1)C(C)(C)CN1CCOCC1 ZINC000414567917 563746902 /nfs/dbraw/zinc/74/69/02/563746902.db2.gz LQMPUWLDFUVIGL-UHFFFAOYSA-N 1 0 381.318 2.639 20 0 GFADRO COC(=O)COC[C@@H](C)[NH2+]C1CCN(Cc2cccc(Br)c2)CC1 ZINC000414584039 563747977 /nfs/dbraw/zinc/74/79/77/563747977.db2.gz IJNRCBMLZYLCSM-CQSZACIVSA-N 1 0 399.329 2.581 20 0 GFADRO [NH3+]C[C@H]1CCCC[C@@H]1NS(=O)(=O)c1cc(Cl)ccc1Br ZINC000440732810 563748862 /nfs/dbraw/zinc/74/88/62/563748862.db2.gz IKDRMLWHXQQARE-SKDRFNHKSA-N 1 0 381.723 2.898 20 0 GFADRO C[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2Br)[C@@H]1C[NH3+] ZINC000440745584 563749471 /nfs/dbraw/zinc/74/94/71/563749471.db2.gz GUCMZZSMIPEWKM-BXKDBHETSA-N 1 0 381.723 2.850 20 0 GFADRO CCCN([C@@H]1CC[NH2+]C1)S(=O)(=O)c1cc(Cl)ccc1Br ZINC000440745390 563749547 /nfs/dbraw/zinc/74/95/47/563749547.db2.gz HVAZVTZFQLNXHJ-LLVKDONJSA-N 1 0 381.723 2.865 20 0 GFADRO COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)NCC1([NH3+])CCCCC1 ZINC000440743490 563749556 /nfs/dbraw/zinc/74/95/56/563749556.db2.gz YEMKHZRKKXUAJK-CYBMUJFWSA-N 1 0 390.933 2.694 20 0 GFADRO COc1cc(Cl)c(S(=O)(=O)NCc2ccc([C@H](C)[NH3+])cc2)cc1OC ZINC000440756792 563749673 /nfs/dbraw/zinc/74/96/73/563749673.db2.gz KCYGZVZFXDIPCB-NSHDSACASA-N 1 0 384.885 2.855 20 0 GFADRO O=C(Nc1cc(Cl)cc(Cl)c1)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000414682171 563750168 /nfs/dbraw/zinc/75/01/68/563750168.db2.gz QWGFYMSAKHAGON-ZBFHGGJFSA-N 1 0 385.295 2.762 20 0 GFADRO [NH3+]CC[C@H]1CCCN(S(=O)(=O)c2cc(Cl)ccc2Br)C1 ZINC000440799214 563750223 /nfs/dbraw/zinc/75/02/23/563750223.db2.gz JVEPXZHLCQTALW-SNVBAGLBSA-N 1 0 381.723 2.852 20 0 GFADRO [NH3+]CC[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2Br)C1 ZINC000440801480 563750245 /nfs/dbraw/zinc/75/02/45/563750245.db2.gz PGZJIILEOMUZSE-JTQLQIEISA-N 1 0 381.723 2.852 20 0 GFADRO CN1C(=O)C[C@H](C(=O)NC2CC[NH+](C)CC2)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000364349354 563750526 /nfs/dbraw/zinc/75/05/26/563750526.db2.gz BICWEISPDJWECW-GUYCJALGSA-N 1 0 384.307 2.723 20 0 GFADRO O=S(=O)(NC[C@H]1CC[NH2+]C1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000440834938 563751010 /nfs/dbraw/zinc/75/10/10/563751010.db2.gz BAHQJQCLFFNKTR-QMMMGPOBSA-N 1 0 376.322 2.612 20 0 GFADRO C[NH2+]Cc1cccc(NC(=O)C(=O)N(C)Cc2ccc(Br)s2)c1 ZINC000414716357 563751136 /nfs/dbraw/zinc/75/11/36/563751136.db2.gz ODMCNIBFBCOYGN-UHFFFAOYSA-N 1 0 396.310 2.827 20 0 GFADRO [NH3+][C@@H]1CCC[C@H]2CN(S(=O)(=O)c3ccc(Cl)cc3Br)C[C@@H]21 ZINC000440838801 563751810 /nfs/dbraw/zinc/75/18/10/563751810.db2.gz VZJMKFPDOHOWRO-XHVZSJERSA-N 1 0 393.734 2.850 20 0 GFADRO C[C@]1(CNS(=O)(=O)c2c(Cl)cc(F)cc2Br)CCC[NH2+]C1 ZINC000440858686 563752531 /nfs/dbraw/zinc/75/25/31/563752531.db2.gz LUDOSGVCDRCYQJ-ZDUSSCGKSA-N 1 0 399.713 2.910 20 0 GFADRO C[S@@](=O)C1(C[NH2+]Cc2c(Br)cncc2Br)CC1 ZINC000291665679 563753190 /nfs/dbraw/zinc/75/31/90/563753190.db2.gz VSFMMHXMEIIOIK-QGZVFWFLSA-N 1 0 382.121 2.607 20 0 GFADRO [NH3+][C@H]1CCCN(C(=O)Nc2ccc(I)cc2Cl)C1 ZINC000414801155 563753511 /nfs/dbraw/zinc/75/35/11/563753511.db2.gz TWWVYKOGWMMYBU-VIFPVBQESA-N 1 0 379.629 2.900 20 0 GFADRO CCOC(=O)CNC(=O)C1CC[NH+]([C@H](C)c2ccccc2Br)CC1 ZINC000441089581 563754694 /nfs/dbraw/zinc/75/46/94/563754694.db2.gz LDOVPEAFLGULMT-CYBMUJFWSA-N 1 0 397.313 2.901 20 0 GFADRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1nc(C2CC2)ncc1Br ZINC000291730693 563755923 /nfs/dbraw/zinc/75/59/23/563755923.db2.gz JOGISLKQBUTHMA-FZMZJTMJSA-N 1 0 379.302 2.815 20 0 GFADRO CCOCCOc1ccc(Br)cc1CN[C@H]1C[NH2+]CCC1(F)F ZINC000414995506 563755975 /nfs/dbraw/zinc/75/59/75/563755975.db2.gz FRKHRCAGNLFYLE-HNNXBMFYSA-N 1 0 393.272 2.951 20 0 GFADRO COc1cc(Br)c(NC(=O)N2C[C@@H](C)[C@](C)(C[NH3+])C2)cc1OC ZINC000414985351 563756109 /nfs/dbraw/zinc/75/61/09/563756109.db2.gz BFXFAOKYIXSMDD-QLJPJBMISA-N 1 0 386.290 2.915 20 0 GFADRO C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1NC(=O)Cc1ccc(Br)cc1 ZINC000364552964 563757622 /nfs/dbraw/zinc/75/76/22/563757622.db2.gz ALDTWSPYKDHSFJ-FHLIZLRMSA-N 1 0 395.341 2.997 20 0 GFADRO CC(C)c1ncc(C[NH2+]CCNS(=O)(=O)c2ccc(F)cc2F)s1 ZINC000441330109 563758352 /nfs/dbraw/zinc/75/83/52/563758352.db2.gz LIBHJGWSQCFBCL-UHFFFAOYSA-N 1 0 375.466 2.613 20 0 GFADRO COc1ccc(I)c(NC(=O)N2CC[C@@H]([C@@H](C)[NH3+])C2)c1 ZINC000415075526 563758669 /nfs/dbraw/zinc/75/86/69/563758669.db2.gz QRYVMZLEYNRMBN-NXEZZACHSA-N 1 0 389.237 2.501 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)CCC[NH2+][C@@H]1C(=O)NCC[C@H]1C ZINC000441372129 563758819 /nfs/dbraw/zinc/75/88/19/563758819.db2.gz BJPDAIRJTPQDID-DIFFPNOSSA-N 1 0 396.329 2.899 20 0 GFADRO COc1ccc(I)c(NC(=O)N2C[C@H](C)[NH2+]C[C@H]2C)c1 ZINC000415075110 563759029 /nfs/dbraw/zinc/75/90/29/563759029.db2.gz QBRNWHKKHLADMJ-VHSXEESVSA-N 1 0 389.237 2.514 20 0 GFADRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)Nc2cc(F)c(I)c(F)c2)C1 ZINC000415118515 563759648 /nfs/dbraw/zinc/75/96/48/563759648.db2.gz JWBPNFQJVFLARC-HTQZYQBOSA-N 1 0 395.191 2.818 20 0 GFADRO C[C@@H]1CN(C(=O)Nc2cc(F)c(I)c(F)c2)[C@@H](C)C[NH2+]1 ZINC000415121653 563759667 /nfs/dbraw/zinc/75/96/67/563759667.db2.gz NCLMMMJVZACODP-SFYZADRCSA-N 1 0 395.191 2.784 20 0 GFADRO [NH3+]CC1(O)CCN(Cc2ccc(OC(F)(F)F)c(Br)c2)CC1 ZINC000415135788 563760556 /nfs/dbraw/zinc/76/05/56/563760556.db2.gz BRUKCPFRCMGSMH-UHFFFAOYSA-N 1 0 383.208 2.633 20 0 GFADRO [NH3+]C[C@H]1CC[C@@H](NC(=O)Nc2cc(Br)ccc2-n2cccn2)C1 ZINC000415163725 563760950 /nfs/dbraw/zinc/76/09/50/563760950.db2.gz OUPUGFLCMANYBL-WCQYABFASA-N 1 0 378.274 2.884 20 0 GFADRO COCC1(CNC(=O)Nc2ccc(OC)c(Br)c2)CC[NH2+]CC1 ZINC000415168433 563761875 /nfs/dbraw/zinc/76/18/75/563761875.db2.gz IZICHYKODVXFQD-UHFFFAOYSA-N 1 0 386.290 2.595 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)Nc2cc(Br)ccc2-n2cccn2)CC[NH2+]1 ZINC000415169462 563761932 /nfs/dbraw/zinc/76/19/32/563761932.db2.gz VYCANTLVMTUTLI-YPMHNXCESA-N 1 0 378.274 2.897 20 0 GFADRO CC1(C)[C@@H]2OCCC[C@H]2[C@]1([NH3+])C(=O)NCc1cc(F)cc(Br)c1 ZINC000364722244 563762568 /nfs/dbraw/zinc/76/25/68/563762568.db2.gz FDPJBTZPQXIARB-CPUCHLNUSA-N 1 0 385.277 2.737 20 0 GFADRO O=C(Nc1ccc(Cl)c(C(=O)NCc2cccs2)c1)N[C@@H]1CC[NH2+]C1 ZINC000415254976 563764026 /nfs/dbraw/zinc/76/40/26/563764026.db2.gz LCTNOTDRAWJMBD-GFCCVEGCSA-N 1 0 378.885 2.815 20 0 GFADRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)Nc1ccc(F)cc1I ZINC000415255938 563764389 /nfs/dbraw/zinc/76/43/89/563764389.db2.gz VXXCOXFYGKKMHB-UFBFGSQYSA-N 1 0 377.201 2.550 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)NCC2([NH3+])CCCCC2)c(Br)c1 ZINC000415279438 563765294 /nfs/dbraw/zinc/76/52/94/563765294.db2.gz JSRQWYZPUJDWGG-UHFFFAOYSA-N 1 0 382.302 2.782 20 0 GFADRO [NH3+]C1(CNC(=O)Nc2ccc(Cl)cc2I)CCC1 ZINC000415280350 563765412 /nfs/dbraw/zinc/76/54/12/563765412.db2.gz GDSCQUVEYHRLTJ-UHFFFAOYSA-N 1 0 379.629 2.948 20 0 GFADRO O=C(Nc1ccc(Cl)cc1I)N[C@H]1CCC[NH2+]C1 ZINC000415287838 563765564 /nfs/dbraw/zinc/76/55/64/563765564.db2.gz YNURYQYTDCDZAM-VIFPVBQESA-N 1 0 379.629 2.818 20 0 GFADRO COCCC[NH+]1CCC(NC(=O)Nc2cc(C)cnc2Br)CC1 ZINC000291940094 563765658 /nfs/dbraw/zinc/76/56/58/563765658.db2.gz AQEPLXHHOJCDGE-UHFFFAOYSA-N 1 0 385.306 2.775 20 0 GFADRO O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000441967416 563766148 /nfs/dbraw/zinc/76/61/48/563766148.db2.gz GGSLXZDYEBCNMF-JTQLQIEISA-N 1 0 375.778 2.650 20 0 GFADRO O=C([C@H]1CCC[NH2+]C1)N1CCC[C@H]1c1ccccc1I ZINC000364884731 563767040 /nfs/dbraw/zinc/76/70/40/563767040.db2.gz DRZJOCFDUVPQJY-WFASDCNBSA-N 1 0 384.261 2.954 20 0 GFADRO CC[N@H+](CCNC(=O)C(=O)Nc1c(F)cc(Br)cc1F)C(C)C ZINC000441983205 563767076 /nfs/dbraw/zinc/76/70/76/563767076.db2.gz SCIGVWFCQLTXSU-UHFFFAOYSA-N 1 0 392.244 2.512 20 0 GFADRO CCOC(=O)c1c(NC(=O)N[C@@H]2CC[NH2+][C@H](C)C2)sc2c1CCSC2 ZINC000415335304 563767369 /nfs/dbraw/zinc/76/73/69/563767369.db2.gz LHAQADXGMCCFNU-GHMZBOCLSA-N 1 0 383.539 2.976 20 0 GFADRO COC(=O)c1cc(Br)ccc1NC(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000415338134 563768066 /nfs/dbraw/zinc/76/80/66/563768066.db2.gz VTHXRYDLYFEFSD-NQBHXWOUSA-N 1 0 396.285 2.745 20 0 GFADRO C[C@@H](NC(=O)C(=O)Nc1cc(Cl)cc(C(F)(F)F)c1)[C@@H]1CCC[NH2+]C1 ZINC000415344042 563768234 /nfs/dbraw/zinc/76/82/34/563768234.db2.gz CNNRCHJVPQMFFV-NXEZZACHSA-N 1 0 377.794 2.802 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC[N@@H+]1C ZINC000442138474 563768514 /nfs/dbraw/zinc/76/85/14/563768514.db2.gz PFDKSOZHNZOHJP-MWLCHTKSSA-N 1 0 377.794 2.896 20 0 GFADRO C[C@H](NC(=O)C(=O)Nc1cc(Cl)cc(Br)c1)[C@H]1CCC[NH2+]C1 ZINC000415344998 563768855 /nfs/dbraw/zinc/76/88/55/563768855.db2.gz FKHJCRVPJJBCAO-UWVGGRQHSA-N 1 0 388.693 2.545 20 0 GFADRO CC(C)Oc1cc(Br)cc(C(=O)N2CCC[N@@H+]([C@H](C)CO)CC2)c1 ZINC000364937548 563769696 /nfs/dbraw/zinc/76/96/96/563769696.db2.gz UUESAXBIJKBKIS-CQSZACIVSA-N 1 0 399.329 2.765 20 0 GFADRO CCCN(C(=O)C(=O)Nc1nc(-c2ccc(C)s2)cs1)[C@@H]1CC[NH2+]C1 ZINC000415388587 563771727 /nfs/dbraw/zinc/77/17/27/563771727.db2.gz FECGEGABMQGOCA-GFCCVEGCSA-N 1 0 378.523 2.719 20 0 GFADRO COC(=O)c1nc(N[C@H]2CC[N@H+](Cc3cnc(C)s3)C[C@@H]2C)sc1C ZINC000365052794 563772846 /nfs/dbraw/zinc/77/28/46/563772846.db2.gz KKMBOIXWSAQBJB-HZMBPMFUSA-N 1 0 380.539 3.326 20 0 GFADRO Cc1cccc(C(=O)N2CC[C@]3(CCC[C@@H]3[NH3+])C2)c1I ZINC000365084398 563773154 /nfs/dbraw/zinc/77/31/54/563773154.db2.gz KAPBTWOAVHTFTM-XJKSGUPXSA-N 1 0 384.261 2.943 20 0 GFADRO COC(=O)c1cc(NC(=O)NCCC2=CC[NH2+]CC2)ccc1Br ZINC000415404603 563773190 /nfs/dbraw/zinc/77/31/90/563773190.db2.gz LSZIJKXCYDVCKO-UHFFFAOYSA-N 1 0 382.258 2.667 20 0 GFADRO O=C(NCC[C@@H]1CCC[NH2+]C1)C(=O)Nc1cc(Cl)cc(C(F)(F)F)c1 ZINC000415412336 563773709 /nfs/dbraw/zinc/77/37/09/563773709.db2.gz MTDIBUNNDLOQHS-JTQLQIEISA-N 1 0 377.794 2.803 20 0 GFADRO C[N@@H+]1CC[C@]2(CCN(Cc3nc(Cc4cccc(Br)c4)no3)C2)C1 ZINC000292103625 563773683 /nfs/dbraw/zinc/77/36/83/563773683.db2.gz IHEBVZJMARMKSY-SFHVURJKSA-N 1 0 391.313 2.951 20 0 GFADRO O=C(NCC[C@H]1CCC[NH2+]C1)C(=O)Nc1cccc(Br)c1Cl ZINC000415412523 563773834 /nfs/dbraw/zinc/77/38/34/563773834.db2.gz XQJNWBMMKCZMAU-SNVBAGLBSA-N 1 0 388.693 2.547 20 0 GFADRO O=C(CC[C@@H]1CCC[NH2+]1)NC[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000292097085 563774043 /nfs/dbraw/zinc/77/40/43/563774043.db2.gz NYQPGENXCKVSDZ-ZBFHGGJFSA-N 1 0 380.330 2.924 20 0 GFADRO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)Nc1ccc(Br)cc1Cl ZINC000415424061 563774250 /nfs/dbraw/zinc/77/42/50/563774250.db2.gz HRCZSTIXUIDHKO-SNVBAGLBSA-N 1 0 376.682 2.531 20 0 GFADRO Cc1c(I)cccc1C(=O)N1CC[C@]2(CCC[C@H]2[NH3+])C1 ZINC000365106938 563774788 /nfs/dbraw/zinc/77/47/88/563774788.db2.gz WSVZYOVZWPKYOB-GDBMZVCRSA-N 1 0 384.261 2.943 20 0 GFADRO COCCOc1ccc(Br)cc1NC(=O)N1CCCC[C@@H]1C[NH3+] ZINC000415425289 563774906 /nfs/dbraw/zinc/77/49/06/563774906.db2.gz KMILASMXSXOYKZ-CYBMUJFWSA-N 1 0 386.290 2.819 20 0 GFADRO CS(=O)(=O)c1ccc(NC(=O)NCC2([NH3+])CCCCC2)cc1C(F)F ZINC000415425551 563775050 /nfs/dbraw/zinc/77/50/50/563775050.db2.gz CMJVECGJJHSAKP-UHFFFAOYSA-N 1 0 375.441 2.811 20 0 GFADRO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)Nc1ccc(C(F)(F)F)cc1Br ZINC000415437150 563775465 /nfs/dbraw/zinc/77/54/65/563775465.db2.gz KQRXGEPZTJWYGD-JTQLQIEISA-N 1 0 396.207 2.506 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)cc1Br ZINC000415432565 563775613 /nfs/dbraw/zinc/77/56/13/563775613.db2.gz FYPLQEOKMVAOAT-STQMWFEESA-N 1 0 382.302 2.590 20 0 GFADRO O=C(Nc1c(F)cccc1Br)C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000415464384 563776878 /nfs/dbraw/zinc/77/68/78/563776878.db2.gz MFFJITGMSUSERA-UHFFFAOYSA-N 1 0 398.276 2.517 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)C1 ZINC000415458275 563776943 /nfs/dbraw/zinc/77/69/43/563776943.db2.gz YHYNMYLLPASTAU-NXEZZACHSA-N 1 0 377.794 2.883 20 0 GFADRO COC(=O)c1cc(Br)c(F)cc1NC(=O)N1C[C@H](C)[NH2+]C[C@H]1C ZINC000415465501 563777069 /nfs/dbraw/zinc/77/70/69/563777069.db2.gz FSCQWSLYPGUSMD-DTWKUNHWSA-N 1 0 388.237 2.589 20 0 GFADRO COC(=O)c1cc(Br)c(F)cc1NC(=O)N(C)[C@H](C[NH3+])C1CC1 ZINC000415463653 563777077 /nfs/dbraw/zinc/77/70/77/563777077.db2.gz BTWPJZNFUDFNNQ-CYBMUJFWSA-N 1 0 388.237 2.576 20 0 GFADRO CCC([NH3+])(CC)CNC(=O)C(=O)Nc1ccc(Br)cc1Cl ZINC000415473553 563777728 /nfs/dbraw/zinc/77/77/28/563777728.db2.gz GFZMLYSOJJHCRY-UHFFFAOYSA-N 1 0 376.682 2.675 20 0 GFADRO Cc1cc(Br)c(NC(=O)NCCCN2CC[NH2+]CC2)cc1Cl ZINC000415478714 563778251 /nfs/dbraw/zinc/77/82/51/563778251.db2.gz POQNXKQMKZMIKU-UHFFFAOYSA-N 1 0 389.725 2.828 20 0 GFADRO O=C(NCCC[C@@H]1CCC[NH2+]1)Nc1cc(Br)cnc1-n1cccn1 ZINC000415479900 563778325 /nfs/dbraw/zinc/77/83/25/563778325.db2.gz IIWGQGJONKQNTF-ZDUSSCGKSA-N 1 0 393.289 2.684 20 0 GFADRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)Nc1ccc(Br)c(Cl)c1 ZINC000415486049 563779038 /nfs/dbraw/zinc/77/90/38/563779038.db2.gz KHSQUYPHMDHRNH-ZDUSSCGKSA-N 1 0 390.709 2.873 20 0 GFADRO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)Nc1ccc(Br)c2ccccc12 ZINC000415495167 563779505 /nfs/dbraw/zinc/77/95/05/563779505.db2.gz NCFRBOOASHLFRU-LBPRGKRZSA-N 1 0 390.281 2.751 20 0 GFADRO C[C@H]1C[C@@H](NC(=O)Nc2nnc(-c3cccc(Br)c3)s2)CC[NH2+]1 ZINC000415500438 563779739 /nfs/dbraw/zinc/77/97/39/563779739.db2.gz MZJAKCNYRXQSMA-CABZTGNLSA-N 1 0 396.314 3.230 20 0 GFADRO C[C@@H]1C[N@H+](CC(=O)N2CCc3sccc3[C@H]2c2cccs2)C[C@H]1CO ZINC000365360167 563780832 /nfs/dbraw/zinc/78/08/32/563780832.db2.gz VZAWDWDRDKRLGN-TYILLQQXSA-N 1 0 376.547 2.844 20 0 GFADRO O=C(c1cc(=O)[nH]c2ccc(Br)cc21)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000365371752 563780960 /nfs/dbraw/zinc/78/09/60/563780960.db2.gz IAMPCGBBSIVMAD-BMIGLBTASA-N 1 0 376.254 2.527 20 0 GFADRO Cc1c(C(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)cnn1-c1cccc(Br)c1 ZINC000365363277 563780975 /nfs/dbraw/zinc/78/09/75/563780975.db2.gz YJVRINOIABENOK-CXAGYDPISA-N 1 0 389.297 2.767 20 0 GFADRO COc1ccc(CC[NH2+][C@H](C)c2ccccc2SC)cc1S(N)(=O)=O ZINC000442869632 563782026 /nfs/dbraw/zinc/78/20/26/563782026.db2.gz IZZAJHFOUYXYLS-CYBMUJFWSA-N 1 0 380.535 2.958 20 0 GFADRO C[C@H]1C[C@@H](NC(=O)Nc2ccnn2Cc2ccccc2Br)CC[NH2+]1 ZINC000415525745 563782125 /nfs/dbraw/zinc/78/21/25/563782125.db2.gz XAKQMLSZHPRAEZ-JSGCOSHPSA-N 1 0 392.301 2.956 20 0 GFADRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)Nc1ccnn1Cc1cccc(Br)c1 ZINC000415527832 563782713 /nfs/dbraw/zinc/78/27/13/563782713.db2.gz OJSCFFGWEFDLKX-WFASDCNBSA-N 1 0 392.301 2.813 20 0 GFADRO C[C@H](C[NH3+])CNC(=O)Nc1nc2ccc(I)cc2s1 ZINC000415530796 563783379 /nfs/dbraw/zinc/78/33/79/563783379.db2.gz UASFWZYDEOTDFF-SSDOTTSWSA-N 1 0 390.250 2.617 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)Nc2cccnc2-c2ccc(Cl)s2)C1 ZINC000415588532 563785543 /nfs/dbraw/zinc/78/55/43/563785543.db2.gz ZZYKSOXCPJXLPQ-QWRGUYRKSA-N 1 0 378.885 2.598 20 0 GFADRO C[C@]1(CNC(=O)C(=O)Nc2cccc(Cl)c2Br)CCC[NH2+]C1 ZINC000415584514 563785733 /nfs/dbraw/zinc/78/57/33/563785733.db2.gz SUFNNOLJRSZMBM-HNNXBMFYSA-N 1 0 388.693 2.547 20 0 GFADRO COC(=O)c1cc(NC(=O)N[C@](C)(C[NH3+])C(C)C)cc(Br)c1F ZINC000415594922 563786240 /nfs/dbraw/zinc/78/62/40/563786240.db2.gz ABIMVQYQGNMWHF-OAHLLOKOSA-N 1 0 390.253 2.870 20 0 GFADRO CN1CCO[C@H]([C@H](NC(=O)NC[C@@H]2CCSC2)c2ccc(Cl)cc2)C1 ZINC000365551919 563786862 /nfs/dbraw/zinc/78/68/62/563786862.db2.gz FFTNDCVQUGKKPX-RRQGHBQHSA-N 1 0 383.945 2.764 20 0 GFADRO CN1CCC([N@@H+]2CC[C@@H](NC(=O)/C=C/c3cc(Br)cs3)C2)CC1 ZINC000365584923 563787493 /nfs/dbraw/zinc/78/74/93/563787493.db2.gz MTZBKNGFGTWXRA-BAABZTOOSA-N 1 0 398.370 2.809 20 0 GFADRO COC(=O)c1cc(F)c(Br)cc1NC(=O)N[C@](C)(C[NH3+])C1CC1 ZINC000415631358 563788676 /nfs/dbraw/zinc/78/86/76/563788676.db2.gz LQFFPFPUPHVGGQ-OAHLLOKOSA-N 1 0 388.237 2.624 20 0 GFADRO Cc1cc(Br)cc(Cl)c1NC(=O)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000415622786 563788923 /nfs/dbraw/zinc/78/89/23/563788923.db2.gz DJQHWUMLVWXSLT-LLVKDONJSA-N 1 0 388.693 2.608 20 0 GFADRO C[C@@H](C(=O)N1CCN(CC[NH+]2CCCC2)CC1)c1cccc(Br)c1 ZINC000292501483 563789148 /nfs/dbraw/zinc/78/91/48/563789148.db2.gz ZHOOXICRAMCEJG-MRXNPFEDSA-N 1 0 394.357 2.793 20 0 GFADRO C[C@@H](CCCC[NH3+])NC(=O)Nc1ccnn1-c1ccc(Br)cn1 ZINC000415634721 563789415 /nfs/dbraw/zinc/78/94/15/563789415.db2.gz IZUXZEXSWIEWRB-NSHDSACASA-N 1 0 381.278 2.669 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H](NC(=O)C(=O)Nc2cc(F)c(Br)cc2Cl)C1 ZINC000415638308 563789469 /nfs/dbraw/zinc/78/94/69/563789469.db2.gz BGWVGZIPVDBJFV-HTQZYQBOSA-N 1 0 392.656 2.566 20 0 GFADRO C[C@H]1C[C@@H](C(=O)N[C@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)CC[N@@H+]1C ZINC000365644396 563789733 /nfs/dbraw/zinc/78/97/33/563789733.db2.gz RQCHUOZYLIXRAP-HUBLWGQQSA-N 1 0 384.307 2.945 20 0 GFADRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)Nc1ccc(Br)c2ccccc12 ZINC000415652394 563789912 /nfs/dbraw/zinc/78/99/12/563789912.db2.gz LHCWUESRYKIVME-IAQYHMDHSA-N 1 0 390.281 2.655 20 0 GFADRO [NH3+][C@@H]1CCC[C@H](NC(=O)C(=O)Nc2cc(F)c(Br)c(Cl)c2)C1 ZINC000415645300 563790060 /nfs/dbraw/zinc/79/00/60/563790060.db2.gz LLIJWAFQALBSIX-SFYZADRCSA-N 1 0 392.656 2.566 20 0 GFADRO CC(C)(C)[C@H]1C[C@H]([NH2+]CCNS(=O)(=O)c2ccc(F)cc2F)CS1 ZINC000443068764 563790135 /nfs/dbraw/zinc/79/01/35/563790135.db2.gz LLCPRKHGKDSYED-SWLSCSKDSA-N 1 0 378.510 2.753 20 0 GFADRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)Nc1ccc(-c2ccc(Cl)s2)nc1 ZINC000415659639 563790530 /nfs/dbraw/zinc/79/05/30/563790530.db2.gz SMGNWRWCMLKVNW-JQWIXIFHSA-N 1 0 378.885 2.516 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000415683010 563791212 /nfs/dbraw/zinc/79/12/12/563791212.db2.gz WBGCUSWZGBKGMQ-GFCCVEGCSA-N 1 0 382.302 2.537 20 0 GFADRO [NH3+]CC[C@H]1CCCN(C(=O)C(=O)Nc2ccc(Br)cc2Cl)C1 ZINC000415678763 563791460 /nfs/dbraw/zinc/79/14/60/563791460.db2.gz OYUXTUQMWBHYIC-SNVBAGLBSA-N 1 0 388.693 2.628 20 0 GFADRO C[C@@]1(C[NH3+])CCN(C(=O)C(=O)Nc2ccc(Br)c3ccccc23)C1 ZINC000415698122 563792090 /nfs/dbraw/zinc/79/20/90/563792090.db2.gz XSBVHTQMGOGHRT-SFHVURJKSA-N 1 0 390.281 2.738 20 0 GFADRO C[N@@H+]1CC[C@]2(CCN(C(=O)c3ccc(F)cc3I)C2)C1 ZINC000292658033 563792739 /nfs/dbraw/zinc/79/27/39/563792739.db2.gz YHAQDZVJNKIAMX-HNNXBMFYSA-N 1 0 388.224 2.598 20 0 GFADRO Cc1cc(I)cc(NC(=O)N[C@@H]2C[NH2+]CCC2(F)F)c1 ZINC000415711867 563792749 /nfs/dbraw/zinc/79/27/49/563792749.db2.gz QBFOHQRWBGVPSM-LLVKDONJSA-N 1 0 395.191 2.718 20 0 GFADRO Cc1cccc(NC(=O)C(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)c1Br ZINC000415731649 563793211 /nfs/dbraw/zinc/79/32/11/563793211.db2.gz XEOQSAWRHCXUOG-JOCQHMNTSA-N 1 0 382.302 2.577 20 0 GFADRO COc1c(Cl)cc(NC(=O)C(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)cc1Cl ZINC000415716240 563793345 /nfs/dbraw/zinc/79/33/45/563793345.db2.gz BDFOEVIDMDXXLE-KRWDZBQOSA-N 1 0 386.279 2.543 20 0 GFADRO COC(=O)c1cc(NC(=O)N[C@@H]2C[NH2+]CC[C@H]2C)c(C)cc1Br ZINC000415715353 563793382 /nfs/dbraw/zinc/79/33/82/563793382.db2.gz YXHNPALPAAOSEQ-YMTOWFKASA-N 1 0 384.274 2.664 20 0 GFADRO C[C@H](CCCC[NH3+])NC(=O)C(=O)Nc1ccc(Br)c2cccnc12 ZINC000415748465 563793952 /nfs/dbraw/zinc/79/39/52/563793952.db2.gz YSAQSMGSWZOYPA-LLVKDONJSA-N 1 0 393.285 2.570 20 0 GFADRO Cc1cc(Cl)cc(NC(=O)C(=O)N[C@@H](C)CCCC[NH3+])c1Br ZINC000415748496 563794004 /nfs/dbraw/zinc/79/40/04/563794004.db2.gz YTXDWFYYXKVKJM-JTQLQIEISA-N 1 0 390.709 2.983 20 0 GFADRO O=C(NCC1=CC[NH2+]CC1)Nc1cc(Cl)ccc1I ZINC000415752166 563794210 /nfs/dbraw/zinc/79/42/10/563794210.db2.gz CZKYFIAMHOOJRW-UHFFFAOYSA-N 1 0 391.640 2.986 20 0 GFADRO C[C@@H]1CCN(C(=O)Nc2ccn(-c3ccc(Br)cc3)n2)[C@H](C[NH3+])C1 ZINC000415753442 563794269 /nfs/dbraw/zinc/79/42/69/563794269.db2.gz GQXPEFIDCWTJCT-DOMZBBRYSA-N 1 0 392.301 3.226 20 0 GFADRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)C(=O)Nc1cc(Cl)ccc1SCC(F)(F)F ZINC000415754743 563794340 /nfs/dbraw/zinc/79/43/40/563794340.db2.gz ZJBZGRMICKGOLL-WPRPVWTQSA-N 1 0 395.834 2.881 20 0 GFADRO [NH3+]C[C@H](NC(=O)Nc1ccn(-c2ccc(Br)cc2)n1)C1CCCC1 ZINC000415759539 563794954 /nfs/dbraw/zinc/79/49/54/563794954.db2.gz QUAIDULPXDMNSN-HNNXBMFYSA-N 1 0 392.301 3.274 20 0 GFADRO [NH3+][C@H]1CCC[C@@H](CNC(=O)Nc2ccn(-c3ccc(Br)cc3)n2)C1 ZINC000415763966 563795171 /nfs/dbraw/zinc/79/51/71/563795171.db2.gz YUDSMFUWXPSOCE-OCCSQVGLSA-N 1 0 392.301 3.274 20 0 GFADRO Cc1cc(Br)cc(Cl)c1NC(=O)C(=O)NC(C)(C)CCC[NH3+] ZINC000415762612 563795271 /nfs/dbraw/zinc/79/52/71/563795271.db2.gz PMPIPHYPUCVQPN-UHFFFAOYSA-N 1 0 390.709 2.983 20 0 GFADRO O=C(Nc1ccc(Cl)cc1C(F)(F)F)C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000415773259 563795706 /nfs/dbraw/zinc/79/57/06/563795706.db2.gz VPIUPYOBGJNJKN-JOYOIKCWSA-N 1 0 375.778 2.508 20 0 GFADRO CC(C)Sc1c(Cl)cccc1NC(=O)C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000415773062 563795806 /nfs/dbraw/zinc/79/58/06/563795806.db2.gz VDHAVLWMIZGUOR-OCCSQVGLSA-N 1 0 381.929 2.989 20 0 GFADRO Cc1cc(Cl)cc(NC(=O)C(=O)N[C@H](C)CCC[NH3+])c1Br ZINC000415778748 563796192 /nfs/dbraw/zinc/79/61/92/563796192.db2.gz HZZLGDMOACYUPA-SECBINFHSA-N 1 0 376.682 2.593 20 0 GFADRO O=C(Nc1cc(C(F)(F)F)ccc1Cl)C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000415776483 563796372 /nfs/dbraw/zinc/79/63/72/563796372.db2.gz HUSFHGJOPXYBQK-SKDRFNHKSA-N 1 0 375.778 2.508 20 0 GFADRO CO[C@H]1CCN(C(=O)Nc2cccc3c(Br)ccnc23)[C@@H](C[NH3+])C1 ZINC000415794295 563796743 /nfs/dbraw/zinc/79/67/43/563796743.db2.gz VRGXFFOXIVMEMP-NEPJUHHUSA-N 1 0 393.285 2.967 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)C(=O)NC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000415798885 563797030 /nfs/dbraw/zinc/79/70/30/563797030.db2.gz BOIUPGMAESMJCK-SMDDNHRTSA-N 1 0 382.302 2.584 20 0 GFADRO [NH3+]C[C@H](NC(=O)C(=O)Nc1ccc(OC(F)F)c(Cl)c1)C1CCCC1 ZINC000415820498 563798071 /nfs/dbraw/zinc/79/80/71/563798071.db2.gz BLRIKBUBETWADV-LBPRGKRZSA-N 1 0 375.803 2.514 20 0 GFADRO [NH3+]C[C@@H](NC(=O)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C1CCCC1 ZINC000415821020 563798443 /nfs/dbraw/zinc/79/84/43/563798443.db2.gz DWVGYPHSYRLSES-CYBMUJFWSA-N 1 0 377.794 2.931 20 0 GFADRO CC(C)(C(=O)N1CCN([C@@H]2CCOC2)CC1)c1cccc(Br)c1 ZINC000366074908 563798551 /nfs/dbraw/zinc/79/85/51/563798551.db2.gz IPTWKWYCUSIDJR-MRXNPFEDSA-N 1 0 381.314 2.660 20 0 GFADRO OC[C@@H]([NH2+]C[C@@H](O)COCC(F)(F)F)c1ccc(Cl)cc1C(F)(F)F ZINC000293036643 563798707 /nfs/dbraw/zinc/79/87/07/563798707.db2.gz WSVMVDMOOAIQQP-BXKDBHETSA-N 1 0 395.727 2.922 20 0 GFADRO CC(C)c1cc(Br)ccc1NC(=O)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000415873900 563800304 /nfs/dbraw/zinc/80/03/04/563800304.db2.gz VSVBVKHRYGQNSL-CYBMUJFWSA-N 1 0 382.302 2.769 20 0 GFADRO C[C@H](CCNC(=O)c1nn(C)cc1Br)[N@H+](C)Cc1ccccc1 ZINC000293103958 563800903 /nfs/dbraw/zinc/80/09/03/563800903.db2.gz CGAFPMMFGHGCHQ-CYBMUJFWSA-N 1 0 379.302 2.823 20 0 GFADRO Cc1ccc(I)cc1C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000366221277 563801779 /nfs/dbraw/zinc/80/17/79/563801779.db2.gz IEDGRRAUVLWSGC-KGLIPLIRSA-N 1 0 384.261 2.956 20 0 GFADRO C[C@H](CNC(=O)N[C@H](CC[NH3+])C(F)(F)F)Oc1ccc(Br)cc1 ZINC000416016715 563802387 /nfs/dbraw/zinc/80/23/87/563802387.db2.gz XMGOPXGFLNDQOQ-BXKDBHETSA-N 1 0 398.223 2.795 20 0 GFADRO [NH3+]CC[C@H](NC(=O)N[C@@H]1CCOc2c(Br)cccc21)C(F)(F)F ZINC000416038404 563803810 /nfs/dbraw/zinc/80/38/10/563803810.db2.gz DMMIWJRWALSULO-MNOVXSKESA-N 1 0 396.207 2.852 20 0 GFADRO CCNC(=O)[C@@H]([NH2+]CC(=O)Nc1ccc(OC(F)F)c(Cl)c1)C(C)C ZINC000293246085 563805175 /nfs/dbraw/zinc/80/51/75/563805175.db2.gz LSMAIDALBZAWMC-AWEZNQCLSA-N 1 0 377.819 2.630 20 0 GFADRO COc1ccc(Br)cc1C1(C(=O)NCC2CC[NH+](C)CC2)CC1 ZINC000416143707 563807249 /nfs/dbraw/zinc/80/72/49/563807249.db2.gz HBVAMXIPLKBBHH-UHFFFAOYSA-N 1 0 381.314 2.947 20 0 GFADRO COC(=O)c1cc(Br)cc(C(=O)N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)c1 ZINC000293508744 563815743 /nfs/dbraw/zinc/81/57/43/563815743.db2.gz ZJSWVVXQVGFCBH-LRDDRELGSA-N 1 0 395.297 2.935 20 0 GFADRO COC(=O)Cc1csc(NC(=O)CN2C[C@H](c3cccs3)C[C@H]2C)n1 ZINC000366617443 563816097 /nfs/dbraw/zinc/81/60/97/563816097.db2.gz DHGOSIBRBOHPTI-VXGBXAGGSA-N 1 0 379.507 2.737 20 0 GFADRO COC(=O)c1ccc(S(=O)(=O)NCC[N@@H+]2CCCC(C)(C)C2)cc1Cl ZINC000443977720 563817126 /nfs/dbraw/zinc/81/71/26/563817126.db2.gz HVJVAUWVZVQRLT-UHFFFAOYSA-N 1 0 388.917 2.527 20 0 GFADRO CSCc1cnc(C[NH2+][C@H]2CN(Cc3ccccc3)CC[C@@H]2CO)s1 ZINC000293571126 563818617 /nfs/dbraw/zinc/81/86/17/563818617.db2.gz MYZYWQWBJMXCNY-AEFFLSMTSA-N 1 0 377.579 2.979 20 0 GFADRO COC(=O)c1c(Cl)cccc1S(=O)(=O)NCCC[N@@H+]1CCCC[C@@H]1C ZINC000416373477 563819257 /nfs/dbraw/zinc/81/92/57/563819257.db2.gz PIWZPZVKTPHBOD-ZDUSSCGKSA-N 1 0 388.917 2.669 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)NC(C)(C)CCC[NH3+] ZINC000293596904 563820360 /nfs/dbraw/zinc/82/03/60/563820360.db2.gz FQMGMWQAYQDKEY-CQSZACIVSA-N 1 0 386.583 2.985 20 0 GFADRO CS(=O)(=O)N1CC[C@H](C[N@@H+]2CCC[C@@H]2c2ccccc2Br)C1 ZINC000366887116 563823664 /nfs/dbraw/zinc/82/36/64/563823664.db2.gz UXVKZGDQUQHQIW-CZUORRHYSA-N 1 0 387.343 2.868 20 0 GFADRO COC(=O)c1sc(N2CCC(N3CC[NH+](C(C)C)CC3)CC2)nc1Cl ZINC000366902674 563823797 /nfs/dbraw/zinc/82/37/97/563823797.db2.gz KBSUQSOVNPJYGD-UHFFFAOYSA-N 1 0 386.949 2.578 20 0 GFADRO COc1cc(OC)c(S(=O)(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)cc1Cl ZINC000416408050 563823961 /nfs/dbraw/zinc/82/39/61/563823961.db2.gz NNRIOCAMLSDNMX-CYBMUJFWSA-N 1 0 390.933 2.852 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)c2cnc3ccc(Br)cc3c2O)CC[N@@H+]1C ZINC000444259016 563825380 /nfs/dbraw/zinc/82/53/80/563825380.db2.gz JGJILPUJLRGFNG-ZYHUDNBSSA-N 1 0 378.270 2.503 20 0 GFADRO Cc1ccc(S(=O)(=O)N2C[C@H]([NH3+])Cc3ccccc32)cc1Br ZINC000416429731 563828086 /nfs/dbraw/zinc/82/80/86/563828086.db2.gz ZWZATPSUYPZTHY-CYBMUJFWSA-N 1 0 381.295 2.836 20 0 GFADRO CCc1sc(C(=O)NC2CC[NH+](CCOC)CC2)cc1Br ZINC000294103857 563831447 /nfs/dbraw/zinc/83/14/47/563831447.db2.gz MMBYWGXHVIVZIU-UHFFFAOYSA-N 1 0 375.332 2.914 20 0 GFADRO C[C@H](Oc1ccc(Br)cc1)C(=O)Nc1ccnn1CC[NH+](C)C ZINC000294112408 563831555 /nfs/dbraw/zinc/83/15/55/563831555.db2.gz PAYKKTZIMATLES-LBPRGKRZSA-N 1 0 381.274 2.613 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2cc(Cl)c(OC)cc2OC)C[C@@H]1C ZINC000416459900 563832161 /nfs/dbraw/zinc/83/21/61/563832161.db2.gz KYBVJXKQSHFBQL-QWHCGFSZSA-N 1 0 390.933 2.851 20 0 GFADRO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)C[NH2+][C@@H](CO)C(C)(C)C ZINC000444695479 563834355 /nfs/dbraw/zinc/83/43/55/563834355.db2.gz SMQMHRUJBGKUOS-LBPRGKRZSA-N 1 0 377.268 2.715 20 0 GFADRO COc1cc(OC)c(S(=O)(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)cc1Cl ZINC000416472912 563834531 /nfs/dbraw/zinc/83/45/31/563834531.db2.gz BSWPSUUIUOYGGF-INIZCTEOSA-N 1 0 390.933 2.756 20 0 GFADRO CN(C)CC[N@H+](C)CCCNC(=O)Nc1c(F)cc(Br)cc1F ZINC000294234235 563835328 /nfs/dbraw/zinc/83/53/28/563835328.db2.gz OEJFWSKXEJGHCD-UHFFFAOYSA-N 1 0 393.276 2.732 20 0 GFADRO O=C(N[C@@H](c1ccc(F)c(Cl)c1)C(F)(F)F)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000444762063 563836727 /nfs/dbraw/zinc/83/67/27/563836727.db2.gz PPJWHWYPEYKXHA-KGLIPLIRSA-N 1 0 379.785 2.589 20 0 GFADRO C[C@H]([NH2+]CC(=O)NC(=O)NCC(F)(F)F)c1ccc(Br)s1 ZINC000444765525 563836745 /nfs/dbraw/zinc/83/67/45/563836745.db2.gz JOOVXAXXRVCHPX-LURJTMIESA-N 1 0 388.209 2.549 20 0 GFADRO CCC[C@@]1(CO)CCC[N@@H+]1C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000444786565 563836905 /nfs/dbraw/zinc/83/69/05/563836905.db2.gz ULJSHWWUERNISE-RDJZCZTQSA-N 1 0 390.293 2.955 20 0 GFADRO COC(=O)[C@H](c1ccc(Cl)cc1Cl)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000444757234 563836929 /nfs/dbraw/zinc/83/69/29/563836929.db2.gz DODPNHHODFPQTR-WBMJQRKESA-N 1 0 389.323 2.985 20 0 GFADRO COc1cc(OC)c(S(=O)(=O)NC(C)(C)C[NH+]2CCCC2)cc1Cl ZINC000416495101 563838502 /nfs/dbraw/zinc/83/85/02/563838502.db2.gz KTLIOUNGNPTQOY-UHFFFAOYSA-N 1 0 376.906 2.510 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000367289094 563839470 /nfs/dbraw/zinc/83/94/70/563839470.db2.gz ZTMREVZIYPYJDI-NCOADZHNSA-N 1 0 387.307 2.737 20 0 GFADRO C[C@H](Oc1ccc(F)cc1Br)C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000367357917 563841704 /nfs/dbraw/zinc/84/17/04/563841704.db2.gz FFDGGHHDQHDTJU-LBPRGKRZSA-N 1 0 385.277 2.958 20 0 GFADRO O=C(COc1ccc(Br)cc1F)Nc1cnc2c(c1)C[NH2+]CC2 ZINC000367379709 563842894 /nfs/dbraw/zinc/84/28/94/563842894.db2.gz LUHBBCWACPZTOE-UHFFFAOYSA-N 1 0 380.217 2.646 20 0 GFADRO CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+]CCCNc2ccc(C(F)(F)F)cn2)C1 ZINC000294480385 563843977 /nfs/dbraw/zinc/84/39/77/563843977.db2.gz ZYBYNOPLHUBBEZ-UONOGXRCSA-N 1 0 379.448 2.848 20 0 GFADRO COc1cc(Br)c(C(=O)N(C)CC2CC[NH+](C)CC2)cc1OC ZINC000294503277 563844468 /nfs/dbraw/zinc/84/44/68/563844468.db2.gz HDRIFMNLJUSGGE-UHFFFAOYSA-N 1 0 385.302 2.880 20 0 GFADRO Cn1cc(Br)c(C(=O)N[C@H](C[NH+](C)C)c2ccc(Cl)cc2)n1 ZINC000294511601 563845184 /nfs/dbraw/zinc/84/51/84/563845184.db2.gz CATGIXPXMPAARC-CYBMUJFWSA-N 1 0 385.693 2.869 20 0 GFADRO NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000294541381 563845884 /nfs/dbraw/zinc/84/58/84/563845884.db2.gz IBOOUVBZDRQXJT-GFCCVEGCSA-N 1 0 378.687 2.716 20 0 GFADRO C[N@@H+]1CCC[C@H](CCNS(=O)(=O)c2cccc(OC(F)(F)F)c2F)C1 ZINC000416549673 563846836 /nfs/dbraw/zinc/84/68/36/563846836.db2.gz CWYURJOLESPECG-LLVKDONJSA-N 1 0 384.395 2.735 20 0 GFADRO CC(C)[C@@H](CNC(=O)Cc1cc[nH]c(=O)c1Br)[NH+]1CCC(C)CC1 ZINC000445259746 563846855 /nfs/dbraw/zinc/84/68/55/563846855.db2.gz IJVJYIWBZBSFGM-OAHLLOKOSA-N 1 0 398.345 2.965 20 0 GFADRO CS(=O)(=O)CC1CCC([NH2+]CCc2nc(-c3ccccn3)cs2)CC1 ZINC000294593396 563847608 /nfs/dbraw/zinc/84/76/08/563847608.db2.gz CWTVQLJPHXTJCT-UHFFFAOYSA-N 1 0 379.551 2.941 20 0 GFADRO CN(C(=O)c1cc[nH]c(=O)c1Br)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000446174803 563860384 /nfs/dbraw/zinc/86/03/84/563860384.db2.gz JXHUMKAHRIUINW-CQSZACIVSA-N 1 0 390.281 2.896 20 0 GFADRO O=C(N[C@@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1)c1c[nH]c(=O)c(Br)c1 ZINC000367943240 563860483 /nfs/dbraw/zinc/86/04/83/563860483.db2.gz RWANRPQYBKIEQD-DZGCQCFKSA-N 1 0 394.244 2.564 20 0 GFADRO COC(=O)[C@@H]1CN(C(=O)Nc2cc(C(F)F)ccc2Cl)CC[N@H+](C)C1 ZINC000416927845 563863583 /nfs/dbraw/zinc/86/35/83/563863583.db2.gz WWTDIUZDSYUSGL-NSHDSACASA-N 1 0 375.803 2.846 20 0 GFADRO CC[C@H](C(=O)NCc1ccc(Cl)cc1I)[NH+](C)C ZINC000446499385 563864932 /nfs/dbraw/zinc/86/49/32/563864932.db2.gz PYLBVESJHCEJQK-GFCCVEGCSA-N 1 0 380.657 2.901 20 0 GFADRO COc1ccc(Br)c(CNC(=O)N2CCC3(C2)CC[NH2+]CC3)c1 ZINC000417133612 563868508 /nfs/dbraw/zinc/86/85/08/563868508.db2.gz CCNAUSMSYVBGLG-UHFFFAOYSA-N 1 0 382.302 2.743 20 0 GFADRO CCOc1c(Br)cc(C(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1OC ZINC000368372084 563869366 /nfs/dbraw/zinc/86/93/66/563869366.db2.gz ZTAMEBDDELJQBC-FZMZJTMJSA-N 1 0 383.286 2.680 20 0 GFADRO C[C@@H](NC(=O)N[C@@H](C)CCC[NH3+])c1cc2c(cc1Br)OCCO2 ZINC000417172809 563869903 /nfs/dbraw/zinc/86/99/03/563869903.db2.gz GIAALIKUTMSIAA-WDEREUQCSA-N 1 0 386.290 2.708 20 0 GFADRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)NCC1(c2cccc(Br)c2)CCOCC1 ZINC000417172316 563870060 /nfs/dbraw/zinc/87/00/60/563870060.db2.gz FVMMJPHZYFIVOV-BBRMVZONSA-N 1 0 396.329 2.628 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2S(=O)(=O)c1c(Cl)cccc1Cl ZINC000446928561 563870293 /nfs/dbraw/zinc/87/02/93/563870293.db2.gz GTCUVCAMVIAWCO-UGFHNGPFSA-N 1 0 393.336 2.866 20 0 GFADRO CCOC(=O)[C@](C)(O)C[NH2+][C@@H](c1cc(Cl)ccc1Cl)[C@H]1CCOC1 ZINC000368432362 563870623 /nfs/dbraw/zinc/87/06/23/563870623.db2.gz BPTXMLNGEGQRNW-UXEPBGEESA-N 1 0 376.280 2.975 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)N[C@H](c2ccc(Br)cc2)C2CCC2)CCO1 ZINC000417181615 563870880 /nfs/dbraw/zinc/87/08/80/563870880.db2.gz IGGJMMSUBITZAS-CVEARBPZSA-N 1 0 382.302 2.659 20 0 GFADRO O=C(NCc1ccc(O)c(Br)c1)N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000368446457 563871281 /nfs/dbraw/zinc/87/12/81/563871281.db2.gz XEIISTVBMUVSGM-LZWOXQAQSA-N 1 0 394.313 2.780 20 0 GFADRO C[C@H](NC(=O)N1CC[C@](C)(C[NH3+])C1)c1cc2c(cc1Br)OCCO2 ZINC000417186339 563871491 /nfs/dbraw/zinc/87/14/91/563871491.db2.gz VILLMEDPJXQRTD-APPDUMDISA-N 1 0 398.301 2.662 20 0 GFADRO [NH3+]CCCOC1CCN(C(=O)NCc2ccc(F)cc2Br)CC1 ZINC000417235006 563874589 /nfs/dbraw/zinc/87/45/89/563874589.db2.gz XAANNGOAGNPPHC-UHFFFAOYSA-N 1 0 388.281 2.628 20 0 GFADRO C[C@@H](CCn1cccn1)[NH2+][C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000447096995 563874978 /nfs/dbraw/zinc/87/49/78/563874978.db2.gz DIPOREDKRWDQMN-XJKSGUPXSA-N 1 0 377.286 2.819 20 0 GFADRO C[NH2+][C@H]1CCCN(C(=O)NC[C@@H]2CCN(c3cccc(Br)c3)C2)C1 ZINC000417265079 563875616 /nfs/dbraw/zinc/87/56/16/563875616.db2.gz UAZBAUYMPSZYRS-HOCLYGCPSA-N 1 0 395.345 2.669 20 0 GFADRO O=C(NCCc1cc(Br)ccc1F)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000417294499 563877740 /nfs/dbraw/zinc/87/77/40/563877740.db2.gz IHXCOXARKJTYAW-KRWDZBQOSA-N 1 0 384.293 2.916 20 0 GFADRO [NH3+]CCCCNS(=O)(=O)c1csc(-c2cccc(Br)c2)n1 ZINC000447243599 563877902 /nfs/dbraw/zinc/87/79/02/563877902.db2.gz BHOMTYPSMQOPGS-UHFFFAOYSA-N 1 0 390.328 2.590 20 0 GFADRO [NH3+][C@@H]1CCC[C@H]2CN(S(=O)(=O)c3cc(Br)sc3Cl)C[C@@H]21 ZINC000447247601 563877914 /nfs/dbraw/zinc/87/79/14/563877914.db2.gz JEVQXHHZTPIYBF-XHNCKOQMSA-N 1 0 399.763 2.912 20 0 GFADRO C[NH2+][C@H]1CCCN(C(=O)NCc2cc(Br)ccc2OC(F)F)C1 ZINC000417410025 563879822 /nfs/dbraw/zinc/87/98/22/563879822.db2.gz QZILPFQZQZWFMZ-LBPRGKRZSA-N 1 0 392.244 2.944 20 0 GFADRO C[C@H](CCC[NH3+])NC(=O)NCc1cc(Br)ccc1OC(F)F ZINC000417415217 563879842 /nfs/dbraw/zinc/87/98/42/563879842.db2.gz XOTBWTIHLRTYPE-SECBINFHSA-N 1 0 380.233 2.977 20 0 GFADRO O=C(NCC[C@H]1CC[NH2+]C1)NCc1cc(Br)ccc1OC(F)F ZINC000417413444 563879857 /nfs/dbraw/zinc/87/98/57/563879857.db2.gz VSGYHMWJPGZAFO-SNVBAGLBSA-N 1 0 392.244 2.849 20 0 GFADRO CN1CC[NH+](CC2(C)CCN(C(=O)c3nc(Cl)ccc3Cl)CC2)CC1 ZINC000368834089 563879917 /nfs/dbraw/zinc/87/99/17/563879917.db2.gz MGZAAUUGOFIGDJ-UHFFFAOYSA-N 1 0 385.339 2.878 20 0 GFADRO COc1ccc(CNC(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc1Br ZINC000417425946 563880190 /nfs/dbraw/zinc/88/01/90/563880190.db2.gz FMCATMMVLJDPIS-YDHLFZDLSA-N 1 0 382.302 2.727 20 0 GFADRO CC(C)(CNC(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1)c1cccc(Br)c1 ZINC000417434922 563880225 /nfs/dbraw/zinc/88/02/25/563880225.db2.gz XZXTXDWUESDKSY-KBPBESRZSA-N 1 0 380.330 2.978 20 0 GFADRO COc1cc(Br)c(CNC(=O)N[C@@H](C[NH3+])CC(C)C)cc1OC ZINC000417447836 563880707 /nfs/dbraw/zinc/88/07/07/563880707.db2.gz RUPKZNHLZKGKFV-GFCCVEGCSA-N 1 0 388.306 2.639 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000417494943 563881224 /nfs/dbraw/zinc/88/12/24/563881224.db2.gz YVWOKJVGMQAUKU-JSGCOSHPSA-N 1 0 397.317 2.513 20 0 GFADRO Cc1ncsc1CN(C[C@H]1CC[NH2+]C1)C(=O)CSCc1cccnc1 ZINC000447443700 563881835 /nfs/dbraw/zinc/88/18/35/563881835.db2.gz UANFPTGLGQXOAZ-HNNXBMFYSA-N 1 0 376.551 2.718 20 0 GFADRO Cc1ccc(NC(=O)C(=O)NCC[N@@H+]2CCCC(C)(C)C2)c(Br)c1 ZINC000447422807 563881849 /nfs/dbraw/zinc/88/18/49/563881849.db2.gz NYWNTMURCPAKLE-UHFFFAOYSA-N 1 0 396.329 2.934 20 0 GFADRO CN1CC[NH+](C[C@H]2CCCN(C(=O)c3cc(F)cc(Br)c3)C2)CC1 ZINC000368979823 563883637 /nfs/dbraw/zinc/88/36/37/563883637.db2.gz VYVOOLWUVROCON-CQSZACIVSA-N 1 0 398.320 2.688 20 0 GFADRO C[C@H]1C[N@@H+](C2CCN(C(=O)Cc3ccccc3Br)CC2)CCO1 ZINC000369021095 563884707 /nfs/dbraw/zinc/88/47/07/563884707.db2.gz HPUXZNOTOSOBKO-AWEZNQCLSA-N 1 0 381.314 2.703 20 0 GFADRO CN(Cc1ccc(Br)s1)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000369029868 563884911 /nfs/dbraw/zinc/88/49/11/563884911.db2.gz ZIXXPYNIMCKROG-NEPJUHHUSA-N 1 0 388.331 2.515 20 0 GFADRO [NH3+][C@H]1CCC[C@H](NC(=O)NCCOc2ncc(C(F)(F)F)cc2Cl)C1 ZINC000417731045 563888139 /nfs/dbraw/zinc/88/81/39/563888139.db2.gz FEMONNUSVQFNTM-QWRGUYRKSA-N 1 0 380.798 2.702 20 0 GFADRO CCCN(C(=O)NC[C@@H](C)Oc1ccc(Br)cc1)[C@H]1CC[NH2+]C1 ZINC000417775143 563888759 /nfs/dbraw/zinc/88/87/59/563888759.db2.gz MLXCNLONJXANHM-HIFRSBDPSA-N 1 0 384.318 3.000 20 0 GFADRO C[C@@H](CNC(=O)NCC[C@@H]1CCC[NH2+]C1)Oc1cccc(Br)c1 ZINC000417804066 563889865 /nfs/dbraw/zinc/88/98/65/563889865.db2.gz YQPMHIRVNDZIBN-KBPBESRZSA-N 1 0 384.318 2.905 20 0 GFADRO C[C@H](CNC(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1)Oc1ccccc1Br ZINC000417837746 563890426 /nfs/dbraw/zinc/89/04/26/563890426.db2.gz XUAFHLSERKIVLE-HZSPNIEDSA-N 1 0 384.318 2.985 20 0 GFADRO Cc1nn(C)c(C[NH2+]CC2CCN(CC(F)(F)F)CC2)c1Br ZINC000447898771 563890639 /nfs/dbraw/zinc/89/06/39/563890639.db2.gz YRQYJCPEPMMWHY-UHFFFAOYSA-N 1 0 383.256 2.855 20 0 GFADRO CN1CCC([N@@H+]2CC[C@H](NC(=O)CCc3ccccc3Br)C2)CC1 ZINC000369275053 563891369 /nfs/dbraw/zinc/89/13/69/563891369.db2.gz UYTUWVGPQLYZAH-INIZCTEOSA-N 1 0 394.357 2.666 20 0 GFADRO C[C@@H]([NH2+]Cc1ccc(F)cc1I)[C@H](C)N1CCOCC1 ZINC000417906337 563891498 /nfs/dbraw/zinc/89/14/98/563891498.db2.gz ADPCRXQWYSVGQE-NEPJUHHUSA-N 1 0 392.256 2.629 20 0 GFADRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNS(=O)(=O)c1ccccc1OC(F)(F)F ZINC000447936186 563891459 /nfs/dbraw/zinc/89/14/59/563891459.db2.gz NDNIBXIZIWBQIA-AWEZNQCLSA-N 1 0 380.432 2.984 20 0 GFADRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNS(=O)(=O)c1ccc(OCC(F)F)cc1 ZINC000447941246 563892034 /nfs/dbraw/zinc/89/20/34/563892034.db2.gz KDISYHMNXQQIFA-HNNXBMFYSA-N 1 0 376.469 2.729 20 0 GFADRO C[NH+](C)[C@]1(CNCc2ccc(F)cc2I)CCSC1 ZINC000417957201 563892871 /nfs/dbraw/zinc/89/28/71/563892871.db2.gz JBFPXRIFHUGUBB-AWEZNQCLSA-N 1 0 394.297 2.957 20 0 GFADRO CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000417977672 563893356 /nfs/dbraw/zinc/89/33/56/563893356.db2.gz GFAUSVVQACYOCS-KOZAUXTDSA-N 1 0 384.318 2.822 20 0 GFADRO CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000417983865 563893729 /nfs/dbraw/zinc/89/37/29/563893729.db2.gz LYILKFWFMYLNFB-GMZLATJGSA-N 1 0 384.318 2.904 20 0 GFADRO [NH3+]C[C@H](NC(=O)NC1CCN(Cc2cc(Cl)cc(Cl)c2)CC1)C1CC1 ZINC000417989395 563893742 /nfs/dbraw/zinc/89/37/42/563893742.db2.gz JMYRHNYUXIVSEW-KRWDZBQOSA-N 1 0 385.339 2.994 20 0 GFADRO COc1cc(Br)ccc1CCCNC(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000418003126 563894746 /nfs/dbraw/zinc/89/47/46/563894746.db2.gz MQAZRMFLAMWQBV-SWLSCSKDSA-N 1 0 384.318 2.817 20 0 GFADRO C[NH2+]C[C@H]1CCCN(C(=O)NCc2cc(Br)cc3c2OCC3)C1 ZINC000418009883 563895064 /nfs/dbraw/zinc/89/50/64/563895064.db2.gz ITTLVISTSYYQSB-GFCCVEGCSA-N 1 0 382.302 2.525 20 0 GFADRO CCCOC[C@H](Cc1cccc(Br)c1)NC(=O)N[C@H](C)[C@@H](C)[NH3+] ZINC000418024168 563896042 /nfs/dbraw/zinc/89/60/42/563896042.db2.gz DBCFHBOATZBGDH-IOASZLSFSA-N 1 0 386.334 2.822 20 0 GFADRO CCCOC[C@H](Cc1cccc(Br)c1)NC(=O)NC[C@H]([NH3+])CC ZINC000418029274 563896065 /nfs/dbraw/zinc/89/60/65/563896065.db2.gz LGSCVFVHXHUIPO-CVEARBPZSA-N 1 0 386.334 2.823 20 0 GFADRO CCn1c(CNC(=O)N[C@@H](C[NH3+])CC(C)C)nc2cc(Br)ccc21 ZINC000418070077 563897335 /nfs/dbraw/zinc/89/73/35/563897335.db2.gz UASBDLLXQFAVSU-CYBMUJFWSA-N 1 0 396.333 2.991 20 0 GFADRO CCn1c(CNC(=O)N[C@H]2CC[NH2+][C@@H](C)C2)nc2cc(Br)ccc21 ZINC000418072752 563897764 /nfs/dbraw/zinc/89/77/64/563897764.db2.gz YCNBBOOZJHGTHC-AAEUAGOBSA-N 1 0 394.317 2.758 20 0 GFADRO CC[NH2+][C@H](C)CNC(=O)NCc1ccc(Cl)cc1I ZINC000418085572 563898160 /nfs/dbraw/zinc/89/81/60/563898160.db2.gz APSWTEYUBSPPCB-SECBINFHSA-N 1 0 395.672 2.742 20 0 GFADRO CC(C)C[C@@H](C[NH3+])NC(=O)N[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000418094423 563898462 /nfs/dbraw/zinc/89/84/62/563898462.db2.gz IDMXHOJZVDSYRY-GJZGRUSLSA-N 1 0 383.334 2.700 20 0 GFADRO C[C@@]1(C[NH3+])CCN(C(=O)NCc2cnn(-c3ccc(Br)cc3)c2)C1 ZINC000418091685 563898672 /nfs/dbraw/zinc/89/86/72/563898672.db2.gz QEXLWCJAJBYBAM-KRWDZBQOSA-N 1 0 392.301 2.515 20 0 GFADRO CCCC[C@H](C[NH3+])NC(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000418096634 563898967 /nfs/dbraw/zinc/89/89/67/563898967.db2.gz KMNGLYYTNZLQGN-HUUCEWRRSA-N 1 0 383.334 2.845 20 0 GFADRO O=C(N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000418105448 563899103 /nfs/dbraw/zinc/89/91/03/563899103.db2.gz BAEUAZOOIGNJFP-WFGGJUAMSA-N 1 0 382.277 2.695 20 0 GFADRO C[NH2+]C[C@@H]1CCCN(C(=O)N[C@H]2CCN(c3cccc(Br)c3)C2)C1 ZINC000418107259 563899119 /nfs/dbraw/zinc/89/91/19/563899119.db2.gz YWJGWESCVBUPPY-HOCLYGCPSA-N 1 0 395.345 2.669 20 0 GFADRO CCn1cncc1C[NH2+]C[C@@H](CO)Cc1cc(Br)ccc1OC ZINC000418108676 563899170 /nfs/dbraw/zinc/89/91/70/563899170.db2.gz BGXDVJSUSLGRCP-ZDUSSCGKSA-N 1 0 382.302 2.615 20 0 GFADRO CC(C)(C[NH2+]Cc1cc2c(cc1Br)OCO2)C1(O)CCOCC1 ZINC000418121120 563899406 /nfs/dbraw/zinc/89/94/06/563899406.db2.gz CYDURYCYSRUENT-UHFFFAOYSA-N 1 0 386.286 2.835 20 0 GFADRO [NH3+][C@@H]1CCCN(C(=O)NCc2ccc(I)cc2Cl)C1 ZINC000418116109 563899612 /nfs/dbraw/zinc/89/96/12/563899612.db2.gz ALFYHROGVYJPSP-LLVKDONJSA-N 1 0 393.656 2.577 20 0 GFADRO O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(I)cc1F ZINC000448726486 563900676 /nfs/dbraw/zinc/90/06/76/563900676.db2.gz TZPFZPJOBUVCAD-NWDGAFQWSA-N 1 0 388.224 2.787 20 0 GFADRO C[NH+]1CCC(CNC(=O)c2ccc(I)cc2F)CC1 ZINC000448859137 563902462 /nfs/dbraw/zinc/90/24/62/563902462.db2.gz LGQWWFPMSUWCSE-UHFFFAOYSA-N 1 0 376.213 2.502 20 0 GFADRO CC[N@H+](CCNC(=O)c1ccccc1-n1cc(Br)cn1)C1CC1 ZINC000448897132 563902686 /nfs/dbraw/zinc/90/26/86/563902686.db2.gz PMGORLOMHRGFFT-UHFFFAOYSA-N 1 0 377.286 2.849 20 0 GFADRO NS(=O)(=O)C[C@H]1CCC[N@H+](Cc2cnc(-c3c(F)cccc3F)s2)C1 ZINC000449028413 563905747 /nfs/dbraw/zinc/90/57/47/563905747.db2.gz NZCWVRQBZSPLII-NSHDSACASA-N 1 0 387.477 2.589 20 0 GFADRO Cc1cc(Br)c(C[NH2+]CCCN2CCC[C@@H]2C(N)=O)cc1Cl ZINC000449128520 563906959 /nfs/dbraw/zinc/90/69/59/563906959.db2.gz ZJYPZHTZLROPDY-OAHLLOKOSA-N 1 0 388.737 2.840 20 0 GFADRO O=S(=O)(NCC[NH2+]Cc1ccnn1C1CCCC1)c1ccc(Cl)s1 ZINC000449197283 563907781 /nfs/dbraw/zinc/90/77/81/563907781.db2.gz YRZHQKZSABVOTN-UHFFFAOYSA-N 1 0 388.946 2.781 20 0 GFADRO CC[NH+](CC)C[C@@H](C)NC(=O)c1ccc(OC)cc1I ZINC000472057103 564211717 /nfs/dbraw/zinc/21/17/17/564211717.db2.gz DNCUPRPUKRDVNQ-LLVKDONJSA-N 1 0 390.265 2.760 20 0 GFADRO CS(=O)(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(F)c1Br ZINC000449253520 564177879 /nfs/dbraw/zinc/17/78/79/564177879.db2.gz VUVKYCCYUVIUHV-CHWSQXEVSA-N 1 0 379.295 2.538 20 0 GFADRO COCCO[C@@H]1COCC[C@H]1[NH2+]Cc1ccnc2c(Br)cccc12 ZINC000449258767 564177937 /nfs/dbraw/zinc/17/79/37/564177937.db2.gz QYDNRXRUPWVZMF-IAGOWNOFSA-N 1 0 395.297 2.907 20 0 GFADRO COC(=O)COC[C@H](C)[NH2+]Cc1ccc(Cl)cc1I ZINC000449284629 564178385 /nfs/dbraw/zinc/17/83/85/564178385.db2.gz BNJIPDCTXBGLKR-VIFPVBQESA-N 1 0 397.640 2.612 20 0 GFADRO C[C@@H](O)C[N@@H+]1CCN(Cc2ccnc3c(Br)cccc23)[C@@H](C)C1 ZINC000449296034 564179713 /nfs/dbraw/zinc/17/97/13/564179713.db2.gz WXCVWVXRTNBEQI-UONOGXRCSA-N 1 0 378.314 2.884 20 0 GFADRO C[C@H]1[C@@H](C(F)(F)F)CC[N@@H+]1CCOc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000470946958 564181000 /nfs/dbraw/zinc/18/10/00/564181000.db2.gz HTKDJTDCLSDEQM-WFASDCNBSA-N 1 0 380.432 2.588 20 0 GFADRO CC(C)OCC[NH+]1CCN(Cc2cc3c(cc2Br)OCCO3)CC1 ZINC000470966745 564182222 /nfs/dbraw/zinc/18/22/22/564182222.db2.gz HCKUBSWEZXQPOS-UHFFFAOYSA-N 1 0 399.329 2.763 20 0 GFADRO OC1(CN2CCOCC2)CC[NH+](CCOc2cc(Cl)cc(Cl)c2)CC1 ZINC000538096622 564182687 /nfs/dbraw/zinc/18/26/87/564182687.db2.gz SMGDJFVVYSFRLO-UHFFFAOYSA-N 1 0 389.323 2.531 20 0 GFADRO COC[C@](C)(O)CC[NH2+][C@@H](C)CCc1ccc(I)cc1 ZINC000449386850 564182961 /nfs/dbraw/zinc/18/29/61/564182961.db2.gz VMKBGCPXOCPOPH-XJKSGUPXSA-N 1 0 391.293 2.989 20 0 GFADRO C[C@@H](CC(=O)Nc1cccc(F)c1)[NH2+]CCn1cc(Br)ccc1=O ZINC000449381897 564183131 /nfs/dbraw/zinc/18/31/31/564183131.db2.gz ZQHKPWJXRYYMSZ-LBPRGKRZSA-N 1 0 396.260 2.757 20 0 GFADRO O=C1CNC(=O)N1CCC[NH2+][C@H](c1ccc(Br)cc1)C1CCC1 ZINC000538176108 564184838 /nfs/dbraw/zinc/18/48/38/564184838.db2.gz QHRMYPZQJPDSBK-INIZCTEOSA-N 1 0 380.286 2.822 20 0 GFADRO COCCCS(=O)(=O)NCC[NH2+][C@H](c1ccc(F)cc1F)C(C)(C)C ZINC000538224011 564185233 /nfs/dbraw/zinc/18/52/33/564185233.db2.gz HABDKFWBAMWNMZ-MRXNPFEDSA-N 1 0 378.485 2.598 20 0 GFADRO O[C@@H]1C[C@@H]([C@@H]2CCCOC2)[N@H+](Cc2cccc(I)c2)C1 ZINC000449429233 564185558 /nfs/dbraw/zinc/18/55/58/564185558.db2.gz ANORVXYVUBWEOY-BMFZPTHFSA-N 1 0 387.261 2.653 20 0 GFADRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)Cc3ccc(I)cc3)C2)C1 ZINC000505587969 564185577 /nfs/dbraw/zinc/18/55/77/564185577.db2.gz PWPMURZLSQYILQ-QGZVFWFLSA-N 1 0 398.288 2.778 20 0 GFADRO C[C@@H]([NH2+][C@H](CCO)c1cccc(C(F)(F)F)c1)C1CCS(=O)(=O)CC1 ZINC000449435587 564187014 /nfs/dbraw/zinc/18/70/14/564187014.db2.gz CPSREIGFUGLMMB-MLGOLLRUSA-N 1 0 379.444 2.932 20 0 GFADRO CO[C@H]1COCC[C@H]1C[NH2+]Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000449464812 564187839 /nfs/dbraw/zinc/18/78/39/564187839.db2.gz ZNRDUWZRSPSKTL-YOEHRIQHSA-N 1 0 380.286 2.776 20 0 GFADRO O[C@H](C[NH2+][C@H]1CCCc2c3cc(Br)ccc3[nH]c21)Cn1ccnn1 ZINC000563360874 564188735 /nfs/dbraw/zinc/18/87/35/564188735.db2.gz YIYAYXCOSGSEMP-WBMJQRKESA-N 1 0 390.285 2.550 20 0 GFADRO CN(C(=O)C1(c2cccc(Br)c2)CC(=O)C1)[C@@H]1CCC[N@H+](C)C1 ZINC000538334080 564189251 /nfs/dbraw/zinc/18/92/51/564189251.db2.gz PSJXSAPBDZMHPH-OAHLLOKOSA-N 1 0 379.298 2.602 20 0 GFADRO COc1ccc([C@@H](C)[NH2+][C@H]2CCCN(S(C)(=O)=O)C2)c(Br)c1 ZINC000538393323 564190290 /nfs/dbraw/zinc/19/02/90/564190290.db2.gz WRSUNVNSYNCDLK-NEPJUHHUSA-N 1 0 391.331 2.532 20 0 GFADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000449578636 564190784 /nfs/dbraw/zinc/19/07/84/564190784.db2.gz PGFDSFAUXQMQRB-IOASZLSFSA-N 1 0 399.329 2.603 20 0 GFADRO Cc1ccc(C[C@H](CO)C[NH2+][C@H]2CN(C3CC3)C[C@@H]2C)cc1Br ZINC000449599497 564191114 /nfs/dbraw/zinc/19/11/14/564191114.db2.gz LESUXYGAQZGQRE-QOKNQOGYSA-N 1 0 381.358 2.981 20 0 GFADRO Cc1ccc(C[C@H](CO)C[NH2+][C@@H]2CCC(=O)NC2(C)C)cc1Br ZINC000449599440 564191230 /nfs/dbraw/zinc/19/12/30/564191230.db2.gz KVTPNGCRDWFVOG-GOEBONIOSA-N 1 0 383.330 2.555 20 0 GFADRO O=C(Nc1ccc(I)cc1F)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000563449681 564192433 /nfs/dbraw/zinc/19/24/33/564192433.db2.gz ZXRCBHLJEHNXOH-ZJUUUORDSA-N 1 0 389.212 2.504 20 0 GFADRO CCN1C[C@H]([NH2+]C[C@@H](CO)Cc2ccc(OC)c(Br)c2)[C@@H](C)C1 ZINC000449601150 564192353 /nfs/dbraw/zinc/19/23/53/564192353.db2.gz QQYIYEXKFZIUJF-QRTARXTBSA-N 1 0 385.346 2.539 20 0 GFADRO C[NH+](C)C1(CNC(=O)[C@H]2C[C@H]2c2ccc(Br)cc2)CCOCC1 ZINC000506016691 564195230 /nfs/dbraw/zinc/19/52/30/564195230.db2.gz FNNJMFYXSGEOQH-HOTGVXAUSA-N 1 0 381.314 2.780 20 0 GFADRO CC(C)OCC[C@H](O)C[NH+]1CCN(Cc2ccc(Br)cc2)CC1 ZINC000471524300 564196645 /nfs/dbraw/zinc/19/66/45/564196645.db2.gz ZAIOIYZMSNKLIM-SFHVURJKSA-N 1 0 385.346 2.743 20 0 GFADRO CC1(C)C[NH2+]CC[C@@H]1NC(=O)[C@@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1 ZINC000449700009 564196978 /nfs/dbraw/zinc/19/69/78/564196978.db2.gz RYLFJMXJDSZOPQ-ABAIWWIYSA-N 1 0 384.307 2.851 20 0 GFADRO COC1CC[NH+](C2(CNS(=O)(=O)CCCC(F)(F)F)CCCC2)CC1 ZINC000538680627 564196999 /nfs/dbraw/zinc/19/69/99/564196999.db2.gz SOYXHAMHQWLPMM-UHFFFAOYSA-N 1 0 386.480 2.672 20 0 GFADRO CC1(C)C[NH2+]CC[C@H]1NC(=O)[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000449700219 564197024 /nfs/dbraw/zinc/19/70/24/564197024.db2.gz SKWXMOSNTAFFPX-SWLSCSKDSA-N 1 0 384.307 2.851 20 0 GFADRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)Cc2ccccc2Br)C1 ZINC000471548088 564197739 /nfs/dbraw/zinc/19/77/39/564197739.db2.gz OVSDLZDGGCDKIX-INIZCTEOSA-N 1 0 383.330 2.951 20 0 GFADRO CC1(C)C[NH2+]CC[C@H]1NC(=O)c1nn(-c2ccc(F)cc2)cc1Br ZINC000449701338 564198042 /nfs/dbraw/zinc/19/80/42/564198042.db2.gz BXFLXEBFDBRLAF-CQSZACIVSA-N 1 0 395.276 2.892 20 0 GFADRO C[C@@]1(C2CC[NH+](Cc3cnc(-c4ccsc4)s3)CC2)NC(=O)NC1=O ZINC000538723690 564198233 /nfs/dbraw/zinc/19/82/33/564198233.db2.gz SURMBXQYUKBSBT-KRWDZBQOSA-N 1 0 376.507 2.682 20 0 GFADRO O=C(NCc1cc(Br)cc2c1OCC2)N1CCC2(CC[NH2+]C2)CC1 ZINC000563584903 564198429 /nfs/dbraw/zinc/19/84/29/564198429.db2.gz UEXGGSGNEALVRS-UHFFFAOYSA-N 1 0 394.313 2.669 20 0 GFADRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)COc2ccc(Br)cc2)C1 ZINC000471563051 564198503 /nfs/dbraw/zinc/19/85/03/564198503.db2.gz MEMQYRQDQFJGSA-QGZVFWFLSA-N 1 0 399.329 2.787 20 0 GFADRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)COc2cccc(Br)c2)C1 ZINC000471562659 564198617 /nfs/dbraw/zinc/19/86/17/564198617.db2.gz JFPAUXSLPSKWNZ-QGZVFWFLSA-N 1 0 399.329 2.787 20 0 GFADRO Cc1c(C(=O)N[C@@H]2CC[NH2+]C2(C)C)cnn1-c1cccc(Br)c1 ZINC000449753092 564199303 /nfs/dbraw/zinc/19/93/03/564199303.db2.gz NPQCAHAEONCNRE-OAHLLOKOSA-N 1 0 377.286 2.814 20 0 GFADRO COc1cc(C[NH2+][C@@H]2CC[C@H](C(N)=O)C2)cc(Br)c1OC(F)F ZINC000449745288 564199514 /nfs/dbraw/zinc/19/95/14/564199514.db2.gz MOFOPDSKVJHWPO-VHSXEESVSA-N 1 0 393.228 2.803 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)N[C@H]1CC[NH2+]C1(C)C ZINC000449749881 564199604 /nfs/dbraw/zinc/19/96/04/564199604.db2.gz HAKPWIYDXRABKW-CJNGLKHVSA-N 1 0 384.567 2.608 20 0 GFADRO COCC[C@H](Cc1cccc(Br)c1)C(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000449727761 564199880 /nfs/dbraw/zinc/19/98/80/564199880.db2.gz RMEKDHPJXYAJNK-ZMSDIMECSA-N 1 0 383.330 2.888 20 0 GFADRO C[C@H](CN1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1)c1cccc(Br)c1 ZINC000538763137 564200223 /nfs/dbraw/zinc/20/02/23/564200223.db2.gz IJSKTRLGHLXEKR-QAPCUYQASA-N 1 0 394.357 2.791 20 0 GFADRO Cc1cc(NC(=O)NCCSCC(F)(F)F)n(C2CC[NH+](C)CC2)n1 ZINC000538768709 564200332 /nfs/dbraw/zinc/20/03/32/564200332.db2.gz USCXNPXARBVMKL-UHFFFAOYSA-N 1 0 379.452 2.875 20 0 GFADRO CC1(C)[NH2+]CC[C@H]1NC(=O)c1cc(I)ccc1Cl ZINC000449757835 564200768 /nfs/dbraw/zinc/20/07/68/564200768.db2.gz YPHOPVQBQNPDMA-LLVKDONJSA-N 1 0 378.641 2.815 20 0 GFADRO OCCC[C@@H]1CC[N@H+](Cc2ccc(Br)cc2N2CCOCC2)C1 ZINC000449789382 564202036 /nfs/dbraw/zinc/20/20/36/564202036.db2.gz GZBJHGYBSHRSEM-OAHLLOKOSA-N 1 0 383.330 2.880 20 0 GFADRO CC1CC[NH+](C[C@@H]2CCCN(C(=O)c3c(Br)cnn3C)C2)CC1 ZINC000449820889 564203566 /nfs/dbraw/zinc/20/35/66/564203566.db2.gz OCQIWVYQUDOGOQ-AWEZNQCLSA-N 1 0 383.334 2.767 20 0 GFADRO CC(=O)c1cc(Br)ccc1OCC(=O)NCC[NH+]1CCCCC1 ZINC000506508417 564203858 /nfs/dbraw/zinc/20/38/58/564203858.db2.gz GQPQQTVFMWYMPP-UHFFFAOYSA-N 1 0 383.286 2.633 20 0 GFADRO CC1CC[NH+](C[C@@H](O)CNC(=O)[C@@H]2C[C@H]2c2ccc(Br)cc2)CC1 ZINC000449855160 564205928 /nfs/dbraw/zinc/20/59/28/564205928.db2.gz ZIQXGXBGQDFRRP-OKZBNKHCSA-N 1 0 395.341 2.762 20 0 GFADRO C[C@@H]1C[N@@H+](CCCCNC(=O)c2ccc(Br)cc2N)C[C@H](C)O1 ZINC000471913177 564207002 /nfs/dbraw/zinc/20/70/02/564207002.db2.gz UNVKYUMRRQRCNC-BETUJISGSA-N 1 0 384.318 2.651 20 0 GFADRO Cc1ccsc1[C@H](CO)[NH2+][C@H](C)c1cccc(N2CCCS2(=O)=O)c1 ZINC000539120108 564210466 /nfs/dbraw/zinc/21/04/66/564210466.db2.gz LSFPEZVVWHBELH-PBHICJAKSA-N 1 0 380.535 2.981 20 0 GFADRO O=C(NCCc1c[nH]c2cccc(Br)c12)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000563875299 564211025 /nfs/dbraw/zinc/21/10/25/564211025.db2.gz JDUULBWFIGWROS-UONOGXRCSA-N 1 0 391.313 2.724 20 0 GFADRO O=C(NCC1CC[NH2+]CC1)[C@H](c1ccc(Br)cc1)N1CCCC1 ZINC000563884456 564211385 /nfs/dbraw/zinc/21/13/85/564211385.db2.gz UXLRFIROGDBMET-KRWDZBQOSA-N 1 0 380.330 2.702 20 0 GFADRO COCCNS(=O)(=O)c1ccc(C[NH2+]Cc2ccc(C)cc2Cl)cc1 ZINC000563890439 564211601 /nfs/dbraw/zinc/21/16/01/564211601.db2.gz ACESXSHWHPYSPX-UHFFFAOYSA-N 1 0 382.913 2.863 20 0 GFADRO C[C@@H]([NH3+])C[C@@H](C)NS(=O)(=O)c1cccc(COCC(F)(F)C(F)F)c1 ZINC000563886612 564212051 /nfs/dbraw/zinc/21/20/51/564212051.db2.gz RHALGFHENAFVBQ-GHMZBOCLSA-N 1 0 386.411 2.508 20 0 GFADRO COc1ccc(OC(F)(F)F)c(C(=O)NC[C@]2([NH+](C)C)CCSC2)c1 ZINC000450043908 564214437 /nfs/dbraw/zinc/21/44/37/564214437.db2.gz ONDCNNHWHFVYRX-OAHLLOKOSA-N 1 0 378.416 2.761 20 0 GFADRO O=C(NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccsc1Br ZINC000450052796 564215356 /nfs/dbraw/zinc/21/53/56/564215356.db2.gz MUCRAXABMGZIDS-QGZVFWFLSA-N 1 0 395.322 2.877 20 0 GFADRO O=C(NCCSCc1ccc(Cl)cc1Cl)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000539368528 564217320 /nfs/dbraw/zinc/21/73/20/564217320.db2.gz BQRJMAMIZQTNLL-MRXNPFEDSA-N 1 0 388.364 2.733 20 0 GFADRO C[C@H]1[NH2+]CC[C@H]1C(=O)NCC1(c2ccc(Br)cc2)CCOCC1 ZINC000564080113 564219454 /nfs/dbraw/zinc/21/94/54/564219454.db2.gz YFQSLIASDOQTIX-CZUORRHYSA-N 1 0 381.314 2.612 20 0 GFADRO Cc1ncc(C[NH2+]CC(C)(C)S(=O)(=O)c2ccc(Br)cc2)cn1 ZINC000539510663 564222030 /nfs/dbraw/zinc/22/20/30/564222030.db2.gz JVIVRYHXNZBSIM-UHFFFAOYSA-N 1 0 398.326 2.890 20 0 GFADRO CSc1ccc([C@H](C)[NH2+]C[C@@H]2CCCCN2S(=O)(=O)N(C)C)cc1F ZINC000564152231 564222202 /nfs/dbraw/zinc/22/22/02/564222202.db2.gz MFQZDKSWNGYWEF-ZFWWWQNUSA-N 1 0 389.562 2.859 20 0 GFADRO CC[NH+]1C[C@@H](C)N(C(=O)Cc2ccccc2I)[C@H](C)C1 ZINC000564163005 564223178 /nfs/dbraw/zinc/22/31/78/564223178.db2.gz AYJVIQMUMNMHHW-CHWSQXEVSA-N 1 0 386.277 2.775 20 0 GFADRO C[C@H]([NH2+][C@H]1CSC[C@H]1C)C(=O)Nc1cccc(I)c1 ZINC000507248228 564223594 /nfs/dbraw/zinc/22/35/94/564223594.db2.gz TYXPOVZHPYTWBE-NRUUGDAUSA-N 1 0 390.290 2.959 20 0 GFADRO Cc1ccccc1C[NH+]1CCN(c2cc(Br)cnc2C(N)=O)CC1 ZINC000472494952 564224555 /nfs/dbraw/zinc/22/45/55/564224555.db2.gz GQOLEXUQJFRLPK-UHFFFAOYSA-N 1 0 389.297 2.574 20 0 GFADRO CC[N@@H+]1CCC[C@H](CNC(=O)NCc2cc(Br)ccc2OC)C1 ZINC000507382779 564228099 /nfs/dbraw/zinc/22/80/99/564228099.db2.gz RFAGVNGDWMKPPZ-CYBMUJFWSA-N 1 0 384.318 2.989 20 0 GFADRO CC(C)c1ccc(Cl)c(S(=O)(=O)N2C[C@@H](C[NH3+])C3(C2)CCOCC3)c1 ZINC000564329282 564228586 /nfs/dbraw/zinc/22/85/86/564228586.db2.gz ROJFRLORINVFJC-OAHLLOKOSA-N 1 0 386.945 2.839 20 0 GFADRO CCN1CCN(C(=O)C(=O)Nc2cc(Cl)ccc2C(F)(F)F)[C@H](C)C1 ZINC000507425053 564228918 /nfs/dbraw/zinc/22/89/18/564228918.db2.gz VFORREPSNIRVMD-SNVBAGLBSA-N 1 0 377.794 2.850 20 0 GFADRO Cc1cc(Br)ccc1S(=O)(=O)NCC[N@@H+](C)C1CCCC1 ZINC000472602966 564228924 /nfs/dbraw/zinc/22/89/24/564228924.db2.gz WNAGXYRHRVIINB-UHFFFAOYSA-N 1 0 375.332 2.910 20 0 GFADRO C[NH+](C)Cc1cccc(C(=O)N[C@H](CO)c2ccc(Br)cc2)c1 ZINC000539981064 564234686 /nfs/dbraw/zinc/23/46/86/564234686.db2.gz CVPPCGCQBVYIFA-QGZVFWFLSA-N 1 0 377.282 2.974 20 0 GFADRO Cc1cccc(NC(=O)C(=O)N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)c1Br ZINC000507634543 564236226 /nfs/dbraw/zinc/23/62/26/564236226.db2.gz TXYCHTRRKKGJOO-KBPBESRZSA-N 1 0 394.313 2.781 20 0 GFADRO CC(C)[NH+]1CCC(C(=O)N(C)[C@@H](C(N)=O)c2cccc(Br)c2)CC1 ZINC000450595731 564240657 /nfs/dbraw/zinc/24/06/57/564240657.db2.gz WCJQNTVBDRVDGY-MRXNPFEDSA-N 1 0 396.329 2.554 20 0 GFADRO Cc1nc(Cc2ccccc2)sc1[C@@H](C)[NH2+]C[C@H]1CS(=O)(=O)CCO1 ZINC000540153183 564240723 /nfs/dbraw/zinc/24/07/23/564240723.db2.gz JHGFKWLNLRZZMK-CJNGLKHVSA-N 1 0 380.535 2.507 20 0 GFADRO C[NH+](C)CCn1nccc1NC(=O)[C@H]1C[C@H]1c1ccc(Br)cc1 ZINC000564603901 564240790 /nfs/dbraw/zinc/24/07/90/564240790.db2.gz QUBVSONYUSCJDT-GJZGRUSLSA-N 1 0 377.286 2.949 20 0 GFADRO CS(=O)(=O)N1CCC[C@@H]([NH2+][C@@H]2CCCc3ccc(Br)cc32)C1 ZINC000540175072 564241206 /nfs/dbraw/zinc/24/12/06/564241206.db2.gz PLLODVDGLUVHCK-GDBMZVCRSA-N 1 0 387.343 2.840 20 0 GFADRO CC(=O)c1cc(Br)ccc1OCC(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000507714340 564241245 /nfs/dbraw/zinc/24/12/45/564241245.db2.gz AHMWYLVSWNUMBL-CYBMUJFWSA-N 1 0 397.313 2.879 20 0 GFADRO C[NH+](C)CCN(C(=O)c1ccc(I)cc1F)C1CC1 ZINC000450713888 564244534 /nfs/dbraw/zinc/24/45/34/564244534.db2.gz KOQSMQUDQHHNRS-UHFFFAOYSA-N 1 0 376.213 2.597 20 0 GFADRO C[C@H](NC(=O)C1(c2c(Cl)cccc2Cl)CCC1)C(=O)NCC[NH+](C)C ZINC000564668470 564244543 /nfs/dbraw/zinc/24/45/43/564244543.db2.gz VOUHFTARDSHRKQ-LBPRGKRZSA-N 1 0 386.323 2.598 20 0 GFADRO COc1cc(Br)c(CN(CC[NH+](C)C)C[C@H]2CCCO2)cc1O ZINC000564686893 564244785 /nfs/dbraw/zinc/24/47/85/564244785.db2.gz KUZQVLOJQVAHEE-CQSZACIVSA-N 1 0 387.318 2.706 20 0 GFADRO C[C@@]1(CNC(=O)c2ccc(-n3cc(Br)cn3)cc2)CCC[NH2+]C1 ZINC000564721751 564246497 /nfs/dbraw/zinc/24/64/97/564246497.db2.gz HGXXJAMFIOGFFO-QGZVFWFLSA-N 1 0 377.286 2.754 20 0 GFADRO COCCOC[C@@H](O)C[NH2+][C@@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000450766293 564246650 /nfs/dbraw/zinc/24/66/50/564246650.db2.gz ZGEZVDQUEXKPEB-JKSUJKDBSA-N 1 0 376.266 2.653 20 0 GFADRO CO[C@H](c1ccc(Br)cc1)[C@@H](C)[NH2+][C@H]1CCCS(=O)(=O)C1 ZINC000540398770 564246633 /nfs/dbraw/zinc/24/66/33/564246633.db2.gz TYEOKMNVKRFWEO-UGFHNGPFSA-N 1 0 376.316 2.692 20 0 GFADRO CC[NH+](CC)[C@@H](CNC(=O)C(=O)N1CCS[C@@H](C)CC1)c1ccsc1 ZINC000564740747 564247028 /nfs/dbraw/zinc/24/70/28/564247028.db2.gz FWTMJTBBPFXKIJ-HOCLYGCPSA-N 1 0 383.583 2.601 20 0 GFADRO C[C@H]1[C@H](NC(=O)c2ccccc2-n2cc(Br)cn2)CCC[N@@H+]1C ZINC000450800929 564248612 /nfs/dbraw/zinc/24/86/12/564248612.db2.gz VUWBOFDGQHXXKI-SWLSCSKDSA-N 1 0 377.286 2.847 20 0 GFADRO C[C@H]1CN(c2cnn(C)c(=O)c2Br)CC[N@H+](Cc2ccccc2)C1 ZINC000450812959 564249319 /nfs/dbraw/zinc/24/93/19/564249319.db2.gz RCJZZEXOUPATRA-CQSZACIVSA-N 1 0 391.313 2.501 20 0 GFADRO CCCC[N@H+](C)CCNC(=O)Nc1ccc(S(C)(=O)=O)c(C(F)F)c1 ZINC000540530946 564251259 /nfs/dbraw/zinc/25/12/59/564251259.db2.gz IEEQXZOAEXMJIU-UHFFFAOYSA-N 1 0 377.457 2.881 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)c1c(F)cccc1I ZINC000564835986 564251286 /nfs/dbraw/zinc/25/12/86/564251286.db2.gz VIVHECQZTLGCHY-CABZTGNLSA-N 1 0 376.213 2.772 20 0 GFADRO CC(=O)Nc1ccc(OC[C@@H](O)C[NH2+]Cc2ccccc2Br)cc1 ZINC000564845716 564251622 /nfs/dbraw/zinc/25/16/22/564251622.db2.gz WHIJREWETQZMBC-INIZCTEOSA-N 1 0 393.281 2.937 20 0 GFADRO C[NH+]1CCC(CCNC(=O)Cc2noc3ccc(Br)cc32)CC1 ZINC000564850835 564252242 /nfs/dbraw/zinc/25/22/42/564252242.db2.gz AVHIQPRFCZLOPQ-UHFFFAOYSA-N 1 0 380.286 2.981 20 0 GFADRO CS[C@H]1CN(CC(=O)N(C)Cc2ccc(Cl)c(Cl)c2)C[C@@H]1[NH+](C)C ZINC000540589032 564252554 /nfs/dbraw/zinc/25/25/54/564252554.db2.gz NLTIXFQVRDDIEM-HOTGVXAUSA-N 1 0 390.380 2.929 20 0 GFADRO CCC1(C[NH2+]C[C@@H](O)COc2ccc(Cl)cc2Br)COC1 ZINC000564859348 564253641 /nfs/dbraw/zinc/25/36/41/564253641.db2.gz RUIZHVOOAPLSEL-GFCCVEGCSA-N 1 0 378.694 2.858 20 0 GFADRO Cc1ccc(NC(=O)COC2CCC([NH3+])CC2)cc1I ZINC000564915216 564256246 /nfs/dbraw/zinc/25/62/46/564256246.db2.gz DRAZKBZBBQZRAN-UHFFFAOYSA-N 1 0 388.249 2.825 20 0 GFADRO Brc1cnc(C[NH2+][C@@H]2CCn3ccnc3C2)c(Br)c1 ZINC000473987469 564260632 /nfs/dbraw/zinc/26/06/32/564260632.db2.gz NMQSWRNCZYYRFQ-SNVBAGLBSA-N 1 0 386.091 2.908 20 0 GFADRO Cc1cccc(OC[C@H](O)C[NH2+][C@@H](CO)c2ccc(Br)cc2)c1 ZINC000541053211 564265145 /nfs/dbraw/zinc/26/51/45/564265145.db2.gz HSABLESKMJWIPT-AEFFLSMTSA-N 1 0 380.282 2.820 20 0 GFADRO CC[N@H+](CCNC(=O)C1CCN(CC(F)(F)F)CC1)CCC(F)(F)F ZINC000508527732 564265466 /nfs/dbraw/zinc/26/54/66/564265466.db2.gz MXSDIQMQAPCIHB-UHFFFAOYSA-N 1 0 377.373 2.651 20 0 GFADRO CCC[C@H]([NH2+]C(C)C)C(=O)NC[C@@H](CO)Cc1ccc(Br)cc1 ZINC000508548779 564266163 /nfs/dbraw/zinc/26/61/63/564266163.db2.gz PJDQNKXDCZRKNZ-RDJZCZTQSA-N 1 0 385.346 2.883 20 0 GFADRO Cc1c(Br)cccc1S(=O)(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000474136882 564266952 /nfs/dbraw/zinc/26/69/52/564266952.db2.gz WBAZBYCREUJZND-WCQYABFASA-N 1 0 375.332 2.861 20 0 GFADRO COCC[NH2+]C1CCN(C(=O)[C@@H]2CCc3cc(Br)ccc32)CC1 ZINC000565149411 564267363 /nfs/dbraw/zinc/26/73/63/564267363.db2.gz ONAWVPOXCAUNHA-QGZVFWFLSA-N 1 0 381.314 2.706 20 0 GFADRO [NH3+]CC12CCC(CC1)CN2C(=O)c1ccc(F)cc1I ZINC000565149108 564267416 /nfs/dbraw/zinc/26/74/16/564267416.db2.gz JNARQTYDRLBLOE-UHFFFAOYSA-N 1 0 388.224 2.774 20 0 GFADRO C[N@H+](CC(=O)N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1)[C@H]1CCSC1 ZINC000541164724 564267954 /nfs/dbraw/zinc/26/79/54/564267954.db2.gz NATHQCRWBNIBBL-OLZOCXBDSA-N 1 0 376.448 2.503 20 0 GFADRO O=S(=O)(Cc1ccc(Br)c(F)c1)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000451054472 564268153 /nfs/dbraw/zinc/26/81/53/564268153.db2.gz LCYRUTNMXYFJRN-HUUCEWRRSA-N 1 0 391.306 2.634 20 0 GFADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)N[C@H]3COc4cc(F)c(Br)cc43)[C@@H]2C1 ZINC000508656064 564269267 /nfs/dbraw/zinc/26/92/67/564269267.db2.gz XHCQXPJKFDPPAH-WKPIXPDZSA-N 1 0 398.276 2.757 20 0 GFADRO CC(=O)NCc1ccc(-c2nc(NC(=O)CC[NH2+]C3CC3)sc2C)s1 ZINC000565218641 564270520 /nfs/dbraw/zinc/27/05/20/564270520.db2.gz QLSBMHSSTODFFI-UHFFFAOYSA-N 1 0 378.523 2.897 20 0 GFADRO Cc1csc([C@@H]2COCCN2C(=O)C2CC[NH+]([C@H]3CCSC3)CC2)n1 ZINC000565194435 564270966 /nfs/dbraw/zinc/27/09/66/564270966.db2.gz HQYVXXQZXSFIGC-HOTGVXAUSA-N 1 0 381.567 2.569 20 0 GFADRO C[C@H]1CN([C@@H]2CCN(c3cccc(Br)c3)C2=O)CC[N@@H+](C2CC2)C1 ZINC000451092049 564272885 /nfs/dbraw/zinc/27/28/85/564272885.db2.gz LFTHGQATUXSTKL-RDTXWAMCSA-N 1 0 392.341 2.971 20 0 GFADRO C[C@H](NC(=O)NCCn1cc(Br)cn1)[C@@H](c1ccccc1)[NH+](C)C ZINC000508855761 564274700 /nfs/dbraw/zinc/27/47/00/564274700.db2.gz VBROJZVQVIEIEQ-BBRMVZONSA-N 1 0 394.317 2.636 20 0 GFADRO C[C@H](C(=O)N(C)CCOc1ccc(Cl)cc1)N1CC[C@H](OC(F)F)C1 ZINC000565316385 564275610 /nfs/dbraw/zinc/27/56/10/564275610.db2.gz AQPWRXYBXYRBRE-DOMZBBRYSA-N 1 0 376.831 2.879 20 0 GFADRO C[C@@]1(CO)CCC[C@H]1[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000474358575 564275812 /nfs/dbraw/zinc/27/58/12/564275812.db2.gz XGSZAVPLXRRTBW-MSOLQXFVSA-N 1 0 383.330 2.926 20 0 GFADRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N[C@H](C)c1ncc(Br)cn1 ZINC000565340738 564276575 /nfs/dbraw/zinc/27/65/75/564276575.db2.gz AIBYOBZHZKJWAZ-TZMCWYRMSA-N 1 0 384.322 2.864 20 0 GFADRO CCCN(C)S(=O)(=O)Nc1cc(Cl)ccc1OC1CC[NH+](C)CC1 ZINC000451110692 564276864 /nfs/dbraw/zinc/27/68/64/564276864.db2.gz FQIWYKLGVBQOHU-UHFFFAOYSA-N 1 0 375.922 2.812 20 0 GFADRO O=C(CS(=O)(=O)c1ccc(Cl)cc1)Nc1ncc(C2CC[NH2+]CC2)s1 ZINC000565357672 564277823 /nfs/dbraw/zinc/27/78/23/564277823.db2.gz LQOISXIMMSBPQP-UHFFFAOYSA-N 1 0 399.925 2.676 20 0 GFADRO CCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cc(Br)ccc1F ZINC000509018903 564278810 /nfs/dbraw/zinc/27/88/10/564278810.db2.gz YQULMXJWOYWEIG-LBPRGKRZSA-N 1 0 386.265 2.517 20 0 GFADRO CCCN(CC[NH+]1CCCCCC1)S(=O)(=O)c1cc(C(=O)OC)cs1 ZINC000565387298 564279184 /nfs/dbraw/zinc/27/91/84/564279184.db2.gz ZCTMJXPODNOMLD-UHFFFAOYSA-N 1 0 388.555 2.811 20 0 GFADRO CCNC(=O)NC(=O)C[NH+]1CCC(C)(c2cccc(Br)c2)CC1 ZINC000509076620 564280876 /nfs/dbraw/zinc/28/08/76/564280876.db2.gz GEQYCNZBOGIGOA-UHFFFAOYSA-N 1 0 382.302 2.648 20 0 GFADRO CN(CC1([NH+](C)C)CCC1)C(=O)c1cc(F)ccc1I ZINC000474636095 564284009 /nfs/dbraw/zinc/28/40/09/564284009.db2.gz CUWOBCIUWMRHMY-UHFFFAOYSA-N 1 0 390.240 2.987 20 0 GFADRO CNS(=O)(=O)CCC[NH2+][C@@H](C)c1sc(-c2ccc(OC)cc2)nc1C ZINC000541638310 564285471 /nfs/dbraw/zinc/28/54/71/564285471.db2.gz RICNZEMVQNTPEO-LBPRGKRZSA-N 1 0 383.539 2.717 20 0 GFADRO Cc1noc(C)c1CC[NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000565535905 564285566 /nfs/dbraw/zinc/28/55/66/564285566.db2.gz OFZZOWNXQXHPID-CQSZACIVSA-N 1 0 387.249 2.765 20 0 GFADRO CCn1nccc1N1CCC[C@@H]([NH2+][C@H](C)c2cncc(Br)c2)C1=O ZINC000565548809 564286382 /nfs/dbraw/zinc/28/63/82/564286382.db2.gz IQVNEJGFKAHTCR-IUODEOHRSA-N 1 0 392.301 2.907 20 0 GFADRO C[NH+](C)C1CCN(C(=O)c2cc(I)ccc2F)CC1 ZINC000474711702 564287014 /nfs/dbraw/zinc/28/70/14/564287014.db2.gz UKJQMMPBLJCGEK-UHFFFAOYSA-N 1 0 376.213 2.597 20 0 GFADRO CC[NH+](CC)CCOCCNS(=O)(=O)c1ccc(C(F)(F)F)cc1C ZINC000509241888 564289326 /nfs/dbraw/zinc/28/93/26/564289326.db2.gz XHGNJBMIEMFJSQ-UHFFFAOYSA-N 1 0 382.448 2.651 20 0 GFADRO C[C@H](C1CC[NH+](C)CC1)N(C)S(=O)(=O)c1ccc(Br)c(F)c1 ZINC000541817139 564289753 /nfs/dbraw/zinc/28/97/53/564289753.db2.gz OXMKELPUPSFOSH-LLVKDONJSA-N 1 0 393.322 2.939 20 0 GFADRO CNC(=O)[C@H](CCSC)[NH2+]Cc1ccc(Br)c2cccnc12 ZINC000565650226 564289814 /nfs/dbraw/zinc/28/98/14/564289814.db2.gz ZNDNFWOPPQENAQ-AWEZNQCLSA-N 1 0 382.327 2.955 20 0 GFADRO CCOC[C@H](O)C[NH2+][C@@H](C)CCc1ccc(I)cc1 ZINC000474812036 564290176 /nfs/dbraw/zinc/29/01/76/564290176.db2.gz UGDRYJGSFOJREY-SWLSCSKDSA-N 1 0 377.266 2.599 20 0 GFADRO C[C@@H]([NH2+][C@@H]1CCOC1(C)C)C(=O)Nc1cccc(I)c1 ZINC000451235576 564290269 /nfs/dbraw/zinc/29/02/69/564290269.db2.gz KBAFSBCXDQSPAK-ZWNOBZJWSA-N 1 0 388.249 2.775 20 0 GFADRO C[C@H]([NH2+]CCS(=O)(=O)NC[C@H]1CCCCO1)[C@@H](C)c1ccc(Cl)cc1 ZINC000474804533 564290549 /nfs/dbraw/zinc/29/05/49/564290549.db2.gz ACKNZERYCNLHRR-RVKKMQEKSA-N 1 0 388.961 2.910 20 0 GFADRO CC[NH+]1CCC(N(C)C(=O)c2cc(I)ccc2F)CC1 ZINC000474849661 564290993 /nfs/dbraw/zinc/29/09/93/564290993.db2.gz DGSMEUGKZIJNDA-UHFFFAOYSA-N 1 0 390.240 2.987 20 0 GFADRO CN(CCC(=O)N(CCO)Cc1cc(Br)cs1)c1cc[nH+]cc1 ZINC000565693448 564291860 /nfs/dbraw/zinc/29/18/60/564291860.db2.gz YRXNFEJOQUXCSV-UHFFFAOYSA-N 1 0 398.326 2.753 20 0 GFADRO CC[NH+](CC)[C@@H]1CCN(S(=O)(=O)c2cc(OC)cc(C(F)(F)F)c2)C1 ZINC000451277586 564295079 /nfs/dbraw/zinc/29/50/79/564295079.db2.gz BFVMGQVQEABMTJ-CYBMUJFWSA-N 1 0 380.432 2.819 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@H](NS(=O)(=O)Cc2ccc(Br)c(F)c2)C1 ZINC000451283575 564296146 /nfs/dbraw/zinc/29/61/46/564296146.db2.gz GEWIENVQNYJRLJ-QWHCGFSZSA-N 1 0 393.322 2.880 20 0 GFADRO OC[C@H]([NH2+]Cc1nc(-c2cccc(Br)c2)c[nH]1)[C@@H]1CCCOC1 ZINC000565820964 564296962 /nfs/dbraw/zinc/29/69/62/564296962.db2.gz MVEUMNJXDMHIIM-CJNGLKHVSA-N 1 0 380.286 2.716 20 0 GFADRO CCO[C@@H](CC[NH+](C)C)CNS(=O)(=O)c1cccc2c(Cl)ccnc21 ZINC000451302003 564297832 /nfs/dbraw/zinc/29/78/32/564297832.db2.gz YSUUHVNJYBVSTB-ZDUSSCGKSA-N 1 0 385.917 2.523 20 0 GFADRO C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCC(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000565830587 564297902 /nfs/dbraw/zinc/29/79/02/564297902.db2.gz IOPJVGSLFMUOSW-LRDDRELGSA-N 1 0 394.313 2.624 20 0 GFADRO CCN(C)C(=O)[C@@H]([NH2+]CC(=O)N(C)Cc1ccccc1Br)C(C)C ZINC000451310931 564298882 /nfs/dbraw/zinc/29/88/82/564298882.db2.gz IFYPVTURXKLAQZ-KRWDZBQOSA-N 1 0 398.345 2.500 20 0 GFADRO CC[NH+]1CCC(NC(=O)CN2CCc3c(Br)cccc3[C@@H]2C)CC1 ZINC000509433875 564299576 /nfs/dbraw/zinc/29/95/76/564299576.db2.gz VVXFAEZDKFOPBP-AWEZNQCLSA-N 1 0 394.357 2.969 20 0 GFADRO Cn1cc(-c2ccc(C[NH2+]Cc3ccc(NS(C)(=O)=O)cc3)s2)cn1 ZINC000509479435 564301234 /nfs/dbraw/zinc/30/12/34/564301234.db2.gz NGRZFXGPTNWGAQ-UHFFFAOYSA-N 1 0 376.507 2.810 20 0 GFADRO COc1cc2c(cc1C[NH2+]CCCCn1cc(Br)cn1)OCO2 ZINC000475217527 564302925 /nfs/dbraw/zinc/30/29/25/564302925.db2.gz XAJKPFRFUCOROH-UHFFFAOYSA-N 1 0 382.258 2.953 20 0 GFADRO COc1cccc(C[C@H](C)[NH2+]C[C@@H](O)COc2ccccc2Br)n1 ZINC000542161592 564303162 /nfs/dbraw/zinc/30/31/62/564303162.db2.gz VVPPIGCGTAGHJD-DZGCQCFKSA-N 1 0 395.297 2.813 20 0 GFADRO CC[C@@H](C(=O)NC[C@H](O)COc1cccc(Cl)c1Cl)[NH+](CC)CC ZINC000475341575 564305472 /nfs/dbraw/zinc/30/54/72/564305472.db2.gz GQMWRHXBPPOHIU-JSGCOSHPSA-N 1 0 377.312 2.970 20 0 GFADRO Cc1cc(C(C)(C)NC(=O)NC[C@@H]2C[NH2+]CCCO2)ccc1Br ZINC000566000009 564305745 /nfs/dbraw/zinc/30/57/45/564305745.db2.gz BHPRVCNDZQGSJO-AWEZNQCLSA-N 1 0 384.318 2.670 20 0 GFADRO CO[C@@H]1CCN(C(=O)[C@@H]2C[C@@]23CCc2cc(Br)ccc23)[C@H](C[NH3+])C1 ZINC000566004501 564305798 /nfs/dbraw/zinc/30/57/98/564305798.db2.gz CPOBFYGCILGGPE-JHDROBOHSA-N 1 0 393.325 2.618 20 0 GFADRO [NH3+][C@H]1CCC[C@H](CNC(=O)c2cnn(-c3cccc(Br)c3)c2)C1 ZINC000566004479 564305982 /nfs/dbraw/zinc/30/59/82/564305982.db2.gz AEIPMQZIEUNFCT-WFASDCNBSA-N 1 0 377.286 2.882 20 0 GFADRO C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)CNC(=O)c1sc2ccccc2c1Cl ZINC000509606013 564306071 /nfs/dbraw/zinc/30/60/71/564306071.db2.gz AUVOCYIWMXWELA-VXGBXAGGSA-N 1 0 379.913 2.836 20 0 GFADRO C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)c1cc(=O)[nH]c2ccc(Br)cc21 ZINC000509623631 564306157 /nfs/dbraw/zinc/30/61/57/564306157.db2.gz FHLTZJUNQGYFJV-GHMZBOCLSA-N 1 0 378.270 2.868 20 0 GFADRO C[C@@H]1CN(C(=O)CNC(=O)c2sc3ccccc3c2Cl)[C@@H](C)C[N@@H+]1C ZINC000509606007 564306179 /nfs/dbraw/zinc/30/61/79/564306179.db2.gz AUVOCYIWMXWELA-NEPJUHHUSA-N 1 0 379.913 2.836 20 0 GFADRO COCCOc1ccc(Br)cc1NC(=O)c1ccnc(C[NH3+])c1 ZINC000566101159 564309353 /nfs/dbraw/zinc/30/93/53/564309353.db2.gz BPLJBCKWMMYYPP-UHFFFAOYSA-N 1 0 380.242 2.580 20 0 GFADRO O=C(NCCC[C@H]1CCC[NH2+]1)c1ccc(-n2cc(Br)cn2)cc1 ZINC000566101936 564309566 /nfs/dbraw/zinc/30/95/66/564309566.db2.gz YEAXOEMMKRASEF-OAHLLOKOSA-N 1 0 377.286 2.897 20 0 GFADRO CCOc1ncccc1C[NH2+]C[C@@H](O)COc1ccc(Br)cc1 ZINC000566105990 564309572 /nfs/dbraw/zinc/30/95/72/564309572.db2.gz DAJFBSYXKMOKPJ-OAHLLOKOSA-N 1 0 381.270 2.772 20 0 GFADRO O=C(NCc1cc(Br)ccc1Br)[C@@H]1CCC[NH2+]C1 ZINC000566101164 564309727 /nfs/dbraw/zinc/30/97/27/564309727.db2.gz BYWIHMSTWKEZJS-SECBINFHSA-N 1 0 376.092 2.827 20 0 GFADRO O=S1(=O)CCCC[C@@H]1C[NH2+]CC1=Cc2cc(Br)ccc2OC1 ZINC000542309742 564309897 /nfs/dbraw/zinc/30/98/97/564309897.db2.gz FAWJDAMEKGIJED-OAHLLOKOSA-N 1 0 386.311 2.782 20 0 GFADRO O=C(c1cc(Br)ccc1F)N1CC[C@@H](OCC[NH+]2CCCC2)C1 ZINC000475453486 564309974 /nfs/dbraw/zinc/30/99/74/564309974.db2.gz QWWOGVCKSZZXKR-CQSZACIVSA-N 1 0 385.277 2.915 20 0 GFADRO Fc1ccc(I)c(F)c1C[NH2+]CCN1CC=CCC1 ZINC000475507669 564310810 /nfs/dbraw/zinc/31/08/10/564310810.db2.gz KYSDOUWLILLGRX-UHFFFAOYSA-N 1 0 378.204 2.921 20 0 GFADRO O[C@@H](C[NH2+]Cc1cc(Br)ccc1Br)Cn1cccn1 ZINC000566131552 564311529 /nfs/dbraw/zinc/31/15/29/564311529.db2.gz NHRMMJVYVKZTHO-LBPRGKRZSA-N 1 0 389.091 2.559 20 0 GFADRO CC[C@@H]1[NH2+]CC[C@H]1C(=O)N[C@@H](C)c1cc2c(cc1Br)OCCO2 ZINC000566171290 564313697 /nfs/dbraw/zinc/31/36/97/564313697.db2.gz FGQBYPFVBDFOMA-WDMOLILDSA-N 1 0 383.286 2.786 20 0 GFADRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)C(=O)Nc1ccc(Br)cc1F ZINC000509787496 564313894 /nfs/dbraw/zinc/31/38/94/564313894.db2.gz DFQPFAHLCZEDDI-XHDPSFHLSA-N 1 0 398.276 2.612 20 0 GFADRO C[N@@H+]1CCN(CCNC(=O)[C@@H]2C[C@H]2c2ccc(Br)cc2)CC1(C)C ZINC000451447175 564314010 /nfs/dbraw/zinc/31/40/10/564314010.db2.gz BAXPDIQYXIHIKW-DLBZAZTESA-N 1 0 394.357 2.695 20 0 GFADRO C[C@H](C(N)=O)[N@H+](CCOc1cccc(Br)c1)C[C@H]1CCCS1 ZINC000475689188 564316621 /nfs/dbraw/zinc/31/66/21/564316621.db2.gz QCCQWNYFWYLATL-IUODEOHRSA-N 1 0 387.343 2.899 20 0 GFADRO O=C(NCCC[C@H]1CCC[NH2+]1)[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000566212378 564317075 /nfs/dbraw/zinc/31/70/75/564317075.db2.gz SQVZOUNUHKFPKM-TZMCWYRMSA-N 1 0 384.307 2.995 20 0 GFADRO O=S(=O)(c1ccc(F)c(C(F)(F)F)c1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000566224069 564317305 /nfs/dbraw/zinc/31/73/05/564317305.db2.gz GEQCXZYYRAOSMR-GFCCVEGCSA-N 1 0 380.407 2.855 20 0 GFADRO CC(C)(C)[C@@H]1CC[N@H+](C[C@@H](O)COc2ccc(Br)cc2)C[C@@H]1O ZINC000542554152 564318300 /nfs/dbraw/zinc/31/83/00/564318300.db2.gz UQCSHLCRYJHNFZ-OIISXLGYSA-N 1 0 386.330 2.918 20 0 GFADRO CC[C@@H](OC)C(=O)Nc1ccc(CN2CC[NH+](C)CC2)c(Br)c1 ZINC000475750475 564318343 /nfs/dbraw/zinc/31/83/43/564318343.db2.gz UNJSTDKGVFWDIU-MRXNPFEDSA-N 1 0 384.318 2.560 20 0 GFADRO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NC1(c2ccc(Br)cc2)CCOCC1 ZINC000566246682 564319182 /nfs/dbraw/zinc/31/91/82/564319182.db2.gz JTDQDTQEAUQPGV-HOTGVXAUSA-N 1 0 381.314 2.959 20 0 GFADRO Cc1nc(-c2ccccc2)sc1[C@@H](C)[NH2+]CC1(O)CCS(=O)(=O)CC1 ZINC000542589651 564319309 /nfs/dbraw/zinc/31/93/09/564319309.db2.gz FDQSDTKCDPONLG-CYBMUJFWSA-N 1 0 380.535 2.709 20 0 GFADRO CN1CCO[C@@H]2CCN(C(=O)c3cc4c(ccc(F)c4Br)[nH]3)C[C@H]21 ZINC000451529651 564322614 /nfs/dbraw/zinc/32/26/14/564322614.db2.gz NPUMZHVLDZQKMN-HUUCEWRRSA-N 1 0 396.260 2.615 20 0 GFADRO [NH3+]CCC1CCN(S(=O)(=O)Cc2ccc(Cl)cc2Br)CC1 ZINC000566356010 564324426 /nfs/dbraw/zinc/32/44/26/564324426.db2.gz OFACIASZLJSZRY-UHFFFAOYSA-N 1 0 395.750 2.993 20 0 GFADRO O=S1(=O)CCO[C@H](C[NH2+][C@H]2CCC[C@H]2c2cccc(C(F)(F)F)c2)C1 ZINC000566351970 564324930 /nfs/dbraw/zinc/32/49/30/564324930.db2.gz NULQGCVUUFJDDJ-PMPSAXMXSA-N 1 0 377.428 2.745 20 0 GFADRO C[C@@H]1CN(C[C@H](O)C[N@@H+]2CC[C@@H](c3cccc(Br)c3)C2)C[C@@H](C)O1 ZINC000451561982 564325859 /nfs/dbraw/zinc/32/58/59/564325859.db2.gz CDXAZPBHIBQVEM-FXRXJOCMSA-N 1 0 397.357 2.709 20 0 GFADRO COCCN(C)C[C@@H](O)C[NH2+][C@@H]1c2cc(Br)ccc2CC1(C)C ZINC000566425808 564326298 /nfs/dbraw/zinc/32/62/98/564326298.db2.gz YWWOHRHTTBTIGE-DOTOQJQBSA-N 1 0 385.346 2.601 20 0 GFADRO Cn1cc(C(=O)NCCCC[NH+]2CCOCC2)c(-c2ccc(Cl)s2)n1 ZINC000476053553 564326311 /nfs/dbraw/zinc/32/63/11/564326311.db2.gz XIECEYKVAJIDDQ-UHFFFAOYSA-N 1 0 382.917 2.644 20 0 GFADRO COCCN(C)C[C@H](O)C[NH2+][C@@H]1c2cc(Br)ccc2CC1(C)C ZINC000566425809 564326416 /nfs/dbraw/zinc/32/64/16/564326416.db2.gz YWWOHRHTTBTIGE-NVXWUHKLSA-N 1 0 385.346 2.601 20 0 GFADRO O=c1n2ccccc2nn1CCN1CC[C@@H](c2cccc(Br)c2)C1 ZINC000451569441 564326730 /nfs/dbraw/zinc/32/67/30/564326730.db2.gz OBPVXRBKTFJKFU-OAHLLOKOSA-N 1 0 387.281 2.748 20 0 GFADRO C[C@H](c1nc(N)nc(N(C)C)n1)N1CC[C@H](c2cccc(Br)c2)C1 ZINC000451573189 564327471 /nfs/dbraw/zinc/32/74/71/564327471.db2.gz TWGBMFBANTYXEQ-YPMHNXCESA-N 1 0 391.317 2.833 20 0 GFADRO COc1ccccc1CCNC(=O)C[NH2+][C@@H](C)c1cncc(Br)c1 ZINC000566500496 564329824 /nfs/dbraw/zinc/32/98/24/564329824.db2.gz JBSBCKNMEOBYBB-ZDUSSCGKSA-N 1 0 392.297 2.862 20 0 GFADRO CC(C)[C@H](CO)[C@@H]([NH2+][C@H](C(N)=O)c1ccc(Br)cc1F)C(C)C ZINC000451602705 564330113 /nfs/dbraw/zinc/33/01/13/564330113.db2.gz VSCMXBQDAGYWQJ-BPUTZDHNSA-N 1 0 389.309 2.993 20 0 GFADRO O=C(N[C@H](CCO)c1ccccc1Br)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000542892924 564330793 /nfs/dbraw/zinc/33/07/93/564330793.db2.gz GPHNPPXOVBROAK-ZACQAIPSSA-N 1 0 396.329 2.799 20 0 GFADRO O=C(NCc1nc2c(cccc2Br)[nH]1)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000566605515 564334559 /nfs/dbraw/zinc/33/45/59/564334559.db2.gz QXNSNUKRKGWTBG-NSHDSACASA-N 1 0 392.301 2.609 20 0 GFADRO CS[C@H]1CN(C(=O)c2cn(C)nc2-c2ccc(Cl)s2)C[C@@H]1[NH+](C)C ZINC000476332959 564335037 /nfs/dbraw/zinc/33/50/37/564335037.db2.gz LFPKBIABTQELTG-AAEUAGOBSA-N 1 0 384.958 2.920 20 0 GFADRO CCCN(CC[NH+]1CCCCC1)S(=O)(=O)c1ccc(C(F)(F)F)nc1 ZINC000510506332 564336787 /nfs/dbraw/zinc/33/67/87/564336787.db2.gz PCNQWLYRNXSSII-UHFFFAOYSA-N 1 0 379.448 2.987 20 0 GFADRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1S(=O)(=O)Cc1ccc(Br)cc1 ZINC000510534331 564337537 /nfs/dbraw/zinc/33/75/37/564337537.db2.gz PNJIZICPJRWOQY-BBRMVZONSA-N 1 0 387.343 2.838 20 0 GFADRO O=C(NCc1cccc(Cl)c1Cl)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000566689001 564338404 /nfs/dbraw/zinc/33/84/04/564338404.db2.gz HXNRTMZFZHLEFF-LBPRGKRZSA-N 1 0 399.244 2.629 20 0 GFADRO NC(=O)[C@H](Cc1ccc(F)cc1)[NH2+]CCOc1ccc(Br)cc1 ZINC000543161598 564340838 /nfs/dbraw/zinc/34/08/38/564340838.db2.gz NOOXOKCKWXTHBJ-INIZCTEOSA-N 1 0 381.245 2.653 20 0 GFADRO CC[N@@H+]1C[C@@H](C)N(C(=O)c2c(C)nc3ccc(Br)cn32)C[C@H]1C ZINC000476525905 564343571 /nfs/dbraw/zinc/34/35/71/564343571.db2.gz ROSMUYIEIDGPAA-VXGBXAGGSA-N 1 0 379.302 2.960 20 0 GFADRO CC1(C)CC[N@H+](CC(=O)N(CCO)Cc2cc(Br)ccc2F)C1 ZINC000566805817 564344167 /nfs/dbraw/zinc/34/41/67/564344167.db2.gz LRGSWXXXPGTULG-UHFFFAOYSA-N 1 0 387.293 2.641 20 0 GFADRO COc1ccc(Br)cc1C(=O)CCC(=O)NC[C@H](C)C[NH+](C)C ZINC000566813392 564344559 /nfs/dbraw/zinc/34/45/59/564344559.db2.gz MXKDBDHQNKWXDN-LBPRGKRZSA-N 1 0 385.302 2.735 20 0 GFADRO CN(CCC[NH+](C)C)C(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000566848992 564345889 /nfs/dbraw/zinc/34/58/89/564345889.db2.gz GFYBZGPRGKRXSR-OAHLLOKOSA-N 1 0 383.334 2.621 20 0 GFADRO CC(C)(C)[C@@H]1CCN(C(=O)[C@](C)([NH3+])c2ccc(Br)cc2)C[C@@H]1O ZINC000566854434 564346827 /nfs/dbraw/zinc/34/68/27/564346827.db2.gz NUBRYOKOQZJDQC-RVKKMQEKSA-N 1 0 383.330 2.879 20 0 GFADRO CC[NH+](CC)CCS(=O)(=O)N1Cc2cc(Br)ccc2C[C@@H]1C ZINC000566884523 564347913 /nfs/dbraw/zinc/34/79/13/564347913.db2.gz NUXBLOGHONCRSX-ZDUSSCGKSA-N 1 0 389.359 2.867 20 0 GFADRO C[C@H]1CN(S(=O)(=O)Cc2ccc(Cl)cc2Br)CC[C@H]1[NH3+] ZINC000566914350 564349580 /nfs/dbraw/zinc/34/95/80/564349580.db2.gz LVDNXAVPQKNSQJ-TVQRCGJNSA-N 1 0 381.723 2.601 20 0 GFADRO O=S(=O)(Cc1cc(Cl)ccc1Br)N1CCC2(CC[NH2+]2)CC1 ZINC000566916095 564349677 /nfs/dbraw/zinc/34/96/77/564349677.db2.gz TZTXSEVSKWATDJ-UHFFFAOYSA-N 1 0 393.734 2.760 20 0 GFADRO Cc1cccc(I)c1C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000476700598 564352108 /nfs/dbraw/zinc/35/21/08/564352108.db2.gz QGJPEAWEXYSZBX-SMDDNHRTSA-N 1 0 384.261 2.812 20 0 GFADRO C[N@@H+]1CC[C@@H]2OCCN(C(=O)c3c(Cl)cc(F)cc3Br)[C@H]2C1 ZINC000451802803 564353114 /nfs/dbraw/zinc/35/31/14/564353114.db2.gz PEFQETWHMDELBV-STQMWFEESA-N 1 0 391.668 2.787 20 0 GFADRO C[C@H]([NH2+]CC(=O)N(C)CCOc1ccc(Br)cc1)[C@H]1CCCOC1 ZINC000543508202 564353246 /nfs/dbraw/zinc/35/32/46/564353246.db2.gz IPEDHTQYBZQNEH-GJZGRUSLSA-N 1 0 399.329 2.691 20 0 GFADRO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)C[NH2+][C@H]1COCC1(C)C ZINC000451816440 564354944 /nfs/dbraw/zinc/35/49/44/564354944.db2.gz ZIPZJNCHEZZZLE-LBPRGKRZSA-N 1 0 375.252 2.733 20 0 GFADRO CN(CCC[NH+]1CCCC1)S(=O)(=O)c1cccc(Br)c1F ZINC000543618965 564356437 /nfs/dbraw/zinc/35/64/37/564356437.db2.gz RHOTZPHPIIAPGU-UHFFFAOYSA-N 1 0 379.295 2.695 20 0 GFADRO COc1ccc(NC(=O)CC[N@@H+]2CC[C@@H]([C@H](O)C(F)(F)F)C2)cc1Cl ZINC000451887718 564362547 /nfs/dbraw/zinc/36/25/47/564362547.db2.gz KCYHQSVZUQCWSC-BMIGLBTASA-N 1 0 380.794 2.922 20 0 GFADRO CN(Cc1ccccc1Br)C(=O)C[N@@H+]1CCC[C@@]2(CCOC2)C1 ZINC000451902108 564364656 /nfs/dbraw/zinc/36/46/56/564364656.db2.gz NBGSSBJQMHRQSU-GOSISDBHSA-N 1 0 381.314 2.910 20 0 GFADRO CCCC[N@H+](C)CCNC(=O)N[C@H](CCO)c1ccccc1Br ZINC000543823116 564364966 /nfs/dbraw/zinc/36/49/66/564364966.db2.gz NFJNLEPLFWFDTC-MRXNPFEDSA-N 1 0 386.334 2.904 20 0 GFADRO CS[C@@H]1CN(S(=O)(=O)c2cccc(Cl)c2F)C[C@@H]1[NH+]1CCCC1 ZINC000477141865 564367224 /nfs/dbraw/zinc/36/72/24/564367224.db2.gz WMPKOZMNNJCRGL-QWHCGFSZSA-N 1 0 378.922 2.679 20 0 GFADRO Cc1ccc(I)cc1C(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000477225958 564369965 /nfs/dbraw/zinc/36/99/65/564369965.db2.gz GSAYLRWKAMRCFB-AWEZNQCLSA-N 1 0 384.261 2.908 20 0 GFADRO [NH3+][C@H]1CCN(C(=O)Nc2ccc(=O)n(Cc3ccc(Cl)c(Cl)c3)c2)C1 ZINC000567451627 564372929 /nfs/dbraw/zinc/37/29/29/564372929.db2.gz XDDCQZOSXZVKDM-LBPRGKRZSA-N 1 0 381.263 2.768 20 0 GFADRO O=C1COc2ccc(C[NH2+][C@H](CO)c3cccc(Br)c3)cc2N1 ZINC000511589489 564376777 /nfs/dbraw/zinc/37/67/77/564376777.db2.gz ZYYAFNHQKQIGGN-OAHLLOKOSA-N 1 0 377.238 2.603 20 0 GFADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(CCCc2ccccc2Br)CC1 ZINC000544143821 564376944 /nfs/dbraw/zinc/37/69/44/564376944.db2.gz OOSVQDWOOGRBAD-SFHVURJKSA-N 1 0 394.357 2.620 20 0 GFADRO COc1cc(Br)ccc1CCCNC(=O)NCC[N@H+](C)C1CC1 ZINC000544135955 564377321 /nfs/dbraw/zinc/37/73/21/564377321.db2.gz MYIZMRLYZTZTQW-UHFFFAOYSA-N 1 0 384.318 2.784 20 0 GFADRO C[C@H](C(=O)NCc1cn2cc(Br)ccc2n1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000511657784 564378739 /nfs/dbraw/zinc/37/87/39/564378739.db2.gz YHJOCHBITSRSRK-FRRDWIJNSA-N 1 0 379.302 2.974 20 0 GFADRO O=C([C@@H]1C[N@@H+]2CCN1CCC2)N1CC=C(c2ccc(Cl)c(Cl)c2)CC1 ZINC000511668401 564379514 /nfs/dbraw/zinc/37/95/14/564379514.db2.gz VYGJOZJPDSOTSZ-SFHVURJKSA-N 1 0 380.319 2.999 20 0 GFADRO C[C@@H](Oc1ccccc1Br)C(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000567612658 564379531 /nfs/dbraw/zinc/37/95/31/564379531.db2.gz ZXBBSQPNFNGILB-VMGRFDJRSA-N 1 0 397.313 2.571 20 0 GFADRO Cc1ccc(C[C@@H](CO)[NH2+][C@@H](C)Cn2cc(Br)ccc2=O)cc1 ZINC000567633065 564380505 /nfs/dbraw/zinc/38/05/05/564380505.db2.gz MTMNBYBWFVPSBS-YOEHRIQHSA-N 1 0 379.298 2.501 20 0 GFADRO CN(CCc1ccc(Br)cc1)C(=O)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000567640551 564381339 /nfs/dbraw/zinc/38/13/39/564381339.db2.gz YUEQAHMUEAOQPI-KRWDZBQOSA-N 1 0 391.313 2.885 20 0 GFADRO C[NH+](C)C[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1Br ZINC000544348236 564383185 /nfs/dbraw/zinc/38/31/85/564383185.db2.gz KXFXMBHXAYQQSD-NSHDSACASA-N 1 0 381.723 2.817 20 0 GFADRO CCOC(=O)c1ccc(N2CC([NH2+]Cc3ccc(Br)cc3)C2)nc1 ZINC000544368466 564383951 /nfs/dbraw/zinc/38/39/51/564383951.db2.gz LFFCBCBIOVFTEK-UHFFFAOYSA-N 1 0 390.281 2.999 20 0 GFADRO CSC[C@H](O)C[NH2+][C@H](c1ccc(F)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000567725891 564385183 /nfs/dbraw/zinc/38/51/83/564385183.db2.gz NGSZLFJMIAOXSK-SJLPKXTDSA-N 1 0 383.510 2.632 20 0 GFADRO Cc1ccc(I)cc1C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000477778752 564387413 /nfs/dbraw/zinc/38/74/13/564387413.db2.gz INTLYOZDHLDGFX-IAQYHMDHSA-N 1 0 384.261 2.812 20 0 GFADRO O=S(=O)(CC[NH2+][C@H]1CCCc2c(Cl)cccc21)NC[C@H]1CCCCO1 ZINC000544575943 564388631 /nfs/dbraw/zinc/38/86/31/564388631.db2.gz JBLGCKVPJPXMPY-KDOFPFPSSA-N 1 0 386.945 2.796 20 0 GFADRO C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)Nc1cccc(F)c1I ZINC000544607993 564389740 /nfs/dbraw/zinc/38/97/40/564389740.db2.gz JKXXLXVVAYKSTC-VHSXEESVSA-N 1 0 391.228 2.987 20 0 GFADRO C[NH2+][C@H](C(=O)N1CCC(c2cccc(Br)c2)CC1)c1cnn(C)c1 ZINC000567826495 564390914 /nfs/dbraw/zinc/39/09/14/564390914.db2.gz CSXGZFNHZDXRAC-KRWDZBQOSA-N 1 0 391.313 2.849 20 0 GFADRO O=C(c1n[nH]c2ccc(Br)cc21)N1CCC2(CC[NH2+]CC2)CC1 ZINC000477949388 564391361 /nfs/dbraw/zinc/39/13/61/564391361.db2.gz WYABHYJIZFWPBI-UHFFFAOYSA-N 1 0 377.286 2.931 20 0 GFADRO [NH3+]CC[C@@H](NC(=O)CSCc1ccc(Br)cc1F)C(F)F ZINC000567846557 564391554 /nfs/dbraw/zinc/39/15/54/564391554.db2.gz GVRRMHTUWYFHQV-LLVKDONJSA-N 1 0 385.249 2.920 20 0 GFADRO C[C@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH2+][C@H]1CCCNC1=O ZINC000512112086 564392714 /nfs/dbraw/zinc/39/27/14/564392714.db2.gz CUFAULRKLBEROU-SKDRFNHKSA-N 1 0 377.794 2.944 20 0 GFADRO CC[NH+](CC)C[C@@H](C)NC(=O)NCc1cn2cc(Br)cc(C)c2n1 ZINC000544681735 564394249 /nfs/dbraw/zinc/39/42/49/564394249.db2.gz GUCKWBPOGJBOEF-CYBMUJFWSA-N 1 0 396.333 2.935 20 0 GFADRO C[NH+](C)CCOc1cc(NC(=O)COc2ccc(Br)cc2)ccn1 ZINC000478042954 564394294 /nfs/dbraw/zinc/39/42/94/564394294.db2.gz SAIQVFLLJJREEJ-UHFFFAOYSA-N 1 0 394.269 2.802 20 0 GFADRO C[C@H]1CCCCC[N@@H+]1CC(=O)NCC(=O)Nc1ccccc1Br ZINC000512177782 564394303 /nfs/dbraw/zinc/39/43/03/564394303.db2.gz FHRKBIXUHSIIQA-ZDUSSCGKSA-N 1 0 382.302 2.768 20 0 GFADRO C[C@@H]1C[N@H+](CCO)CCN1Cc1cc(Br)ccc1OC(F)F ZINC000452125180 564395188 /nfs/dbraw/zinc/39/51/88/564395188.db2.gz XLZRWIVHWJOAFX-LLVKDONJSA-N 1 0 379.245 2.549 20 0 GFADRO CC[NH+](CC)CCNC(=O)[C@@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000478246742 564397864 /nfs/dbraw/zinc/39/78/64/564397864.db2.gz AYCVRDFGAVJZSL-DYVFJYSZSA-N 1 0 386.323 2.971 20 0 GFADRO C[C@H]1CN(C(=O)c2csc(I)c2)CC[N@@H+](C2CC2)C1 ZINC000452175314 564398418 /nfs/dbraw/zinc/39/84/18/564398418.db2.gz SPFAAHNWWHEPBZ-SNVBAGLBSA-N 1 0 390.290 2.909 20 0 GFADRO CCO[C@@H]1COCC[C@H]1[NH2+][C@H](C)CC(=O)Nc1cccc(Br)c1 ZINC000544828406 564399942 /nfs/dbraw/zinc/39/99/42/564399942.db2.gz QJRGJBRPESTNAD-DAXOMENPSA-N 1 0 385.302 2.950 20 0 GFADRO COC(=O)c1cn([C@H]2CC[N@@H+]([C@@H](C)c3ccccc3Br)C2)nn1 ZINC000544899667 564402985 /nfs/dbraw/zinc/40/29/85/564402985.db2.gz WYIMPVMDKKLUSJ-RYUDHWBXSA-N 1 0 379.258 2.835 20 0 GFADRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)Nc1nnc(-c2ccc(Cl)cc2F)s1 ZINC000568071853 564403222 /nfs/dbraw/zinc/40/32/22/564403222.db2.gz UPRFYJCGPKRRIJ-NSHDSACASA-N 1 0 383.880 3.556 20 0 GFADRO COC(=O)c1cn([C@H]2CC[N@@H+]([C@H](C)c3ccccc3Br)C2)nn1 ZINC000544899486 564403721 /nfs/dbraw/zinc/40/37/21/564403721.db2.gz WYIMPVMDKKLUSJ-NEPJUHHUSA-N 1 0 379.258 2.835 20 0 GFADRO COc1c[nH+]ccc1N1CCN(C(=O)c2ccccc2Br)CC1 ZINC000478469204 564403855 /nfs/dbraw/zinc/40/38/55/564403855.db2.gz RDUXMIHHWDCERL-UHFFFAOYSA-N 1 0 376.254 2.815 20 0 GFADRO C[N@H+](CC(=O)N[C@@H](CO)c1ccc(Cl)cc1C(F)(F)F)[C@H]1CCSC1 ZINC000478495185 564404801 /nfs/dbraw/zinc/40/48/01/564404801.db2.gz WSUSIARBJNOFSK-FZMZJTMJSA-N 1 0 396.862 2.946 20 0 GFADRO COc1c[nH+]ccc1N1CCN(C(=O)Cc2ccc(Br)cc2)CC1 ZINC000478487595 564405041 /nfs/dbraw/zinc/40/50/41/564405041.db2.gz IQPBCBRZYFEESI-UHFFFAOYSA-N 1 0 390.281 2.744 20 0 GFADRO CC[NH+]1CCN(c2nnc(-c3cc(Br)cn3C)n2C2CC2)CC1 ZINC000568110583 564405359 /nfs/dbraw/zinc/40/53/59/564405359.db2.gz CMJIZERWXJKGJM-UHFFFAOYSA-N 1 0 379.306 2.523 20 0 GFADRO CC(C)Oc1cc(Br)ccc1C(=O)NC[C@@H]1CCC[N@@H+]1CCCO ZINC000452348074 564406869 /nfs/dbraw/zinc/40/68/69/564406869.db2.gz KHSADKYXRMSEPY-HNNXBMFYSA-N 1 0 399.329 2.813 20 0 GFADRO O=C(N[C@@H]1CCC[N@@H+](CCCO)C1)[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000452372868 564410472 /nfs/dbraw/zinc/41/04/72/564410472.db2.gz FAQLJWPIBBZYFB-IXDOHACOSA-N 1 0 381.314 2.516 20 0 GFADRO Cc1cc(S(=O)(=O)N2CC3CCC2(C[NH3+])CC3)c(F)cc1Br ZINC000568245044 564410781 /nfs/dbraw/zinc/41/07/81/564410781.db2.gz BLVRZBZZXLASCM-UHFFFAOYSA-N 1 0 391.306 2.789 20 0 GFADRO C[NH+](C)CCN1C[C@@H](C(=O)Nc2cc(Cl)cc(C(F)(F)F)c2)CC1=O ZINC000478682294 564411580 /nfs/dbraw/zinc/41/15/80/564411580.db2.gz PACBSYRVHLZPMO-JTQLQIEISA-N 1 0 377.794 2.707 20 0 GFADRO CC(C)C[C@@H](Cc1cccc(Br)c1)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000478710345 564412646 /nfs/dbraw/zinc/41/26/46/564412646.db2.gz POKATVFBWWTHMJ-RDJZCZTQSA-N 1 0 383.330 2.840 20 0 GFADRO CN(C)S(=O)(=O)[C@@H]1C[N@H+](C[C@@H]2CCCC(F)(F)C2)C[C@H]1C(F)(F)F ZINC000512806501 564412772 /nfs/dbraw/zinc/41/27/72/564412772.db2.gz WXWHTFIZGOMKDX-IJLUTSLNSA-N 1 0 378.407 2.566 20 0 GFADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)c2cc(Cl)c(F)cc2Cl)CC1 ZINC000478745849 564413516 /nfs/dbraw/zinc/41/35/16/564413516.db2.gz LWUPDFNNAPUGII-OAHLLOKOSA-N 1 0 388.270 2.511 20 0 GFADRO CCN(Cc1ccccc1Br)C(=O)N[C@@H]1CC[N@H+](CCOC)C1 ZINC000545263177 564414939 /nfs/dbraw/zinc/41/49/39/564414939.db2.gz QLWVAGGWIFKTNI-OAHLLOKOSA-N 1 0 384.318 2.701 20 0 GFADRO Cn1cnc(CCNC(=O)N2CCc3c(Br)ccc(F)c3C2)c1 ZINC000568364291 564415629 /nfs/dbraw/zinc/41/56/29/564415629.db2.gz FVTBUKXDNBJCGS-UHFFFAOYSA-N 1 0 381.249 2.632 20 0 GFADRO CCCN(C1CC[NH2+]CC1)S(=O)(=O)Cc1cccc(Br)c1 ZINC000568393130 564416455 /nfs/dbraw/zinc/41/64/55/564416455.db2.gz YUQZAMKGZPTQRO-UHFFFAOYSA-N 1 0 375.332 2.743 20 0 GFADRO C[C@@H](C[NH2+]C[C@H]1CCCCN1S(C)(=O)=O)c1cccc(Br)c1 ZINC000512983190 564416879 /nfs/dbraw/zinc/41/68/79/564416879.db2.gz NIDCZQXONABHAX-XJKSGUPXSA-N 1 0 389.359 2.956 20 0 GFADRO CS(=O)(=O)N1CCCC[C@H]1C[NH2+]Cc1ccc(OCC(F)(F)F)cc1 ZINC000513006878 564417637 /nfs/dbraw/zinc/41/76/37/564417637.db2.gz FOJJGBVGPURMRA-AWEZNQCLSA-N 1 0 380.432 2.531 20 0 GFADRO C[NH+](C)C1CCN(CCNC(=O)[C@H]2CCc3cc(Br)ccc32)CC1 ZINC000568513747 564422051 /nfs/dbraw/zinc/42/20/51/564422051.db2.gz LTILDZMYNXJVCO-SFHVURJKSA-N 1 0 394.357 2.621 20 0 GFADRO C[C@@H]1[NH2+]CC[C@@H]1C(=O)NCc1cc(Br)ccc1Br ZINC000568508908 564422307 /nfs/dbraw/zinc/42/23/07/564422307.db2.gz SEBYMEKCTULRQP-KWQFWETISA-N 1 0 376.092 2.826 20 0 GFADRO C[C@H]([NH2+]C[C@@H]1CCC[C@@H](O)C1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000479064762 564423994 /nfs/dbraw/zinc/42/39/94/564423994.db2.gz QYCKLDBOXNAIKU-HBNTYKKESA-N 1 0 381.325 2.843 20 0 GFADRO CC(C)[N@H+](C)CCNC(=O)[C@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000479061143 564424142 /nfs/dbraw/zinc/42/41/42/564424142.db2.gz CCGUEFSEEMGOIL-GUYCJALGSA-N 1 0 386.323 2.969 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)NCCc2c(Cl)cccc2Cl)C1 ZINC000479070654 564424219 /nfs/dbraw/zinc/42/42/19/564424219.db2.gz MVCXQHOAWUOAOV-QWHCGFSZSA-N 1 0 386.323 2.641 20 0 GFADRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)C(=O)NCCc2c(Cl)cccc2Cl)C1 ZINC000479070655 564424465 /nfs/dbraw/zinc/42/44/65/564424465.db2.gz MVCXQHOAWUOAOV-STQMWFEESA-N 1 0 386.323 2.641 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)C(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000479096953 564424827 /nfs/dbraw/zinc/42/48/27/564424827.db2.gz GHPZWMMAJOHGSA-CYBMUJFWSA-N 1 0 396.329 2.798 20 0 GFADRO CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1csc(CC[NH3+])n1 ZINC000479089186 564425141 /nfs/dbraw/zinc/42/51/41/564425141.db2.gz HEEXLOILUJSVOY-UHFFFAOYSA-N 1 0 387.292 2.662 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000568627032 564427855 /nfs/dbraw/zinc/42/78/55/564427855.db2.gz UYZYYMBKCVEZET-MEDUHNTESA-N 1 0 377.286 2.671 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000568627030 564428166 /nfs/dbraw/zinc/42/81/66/564428166.db2.gz UYZYYMBKCVEZET-BDJLRTHQSA-N 1 0 377.286 2.671 20 0 GFADRO O=C(COc1c(Cl)cc(Cl)cc1Cl)NC[C@@H]1CCC[N@H+]1CCCO ZINC000452784209 564431561 /nfs/dbraw/zinc/43/15/61/564431561.db2.gz NXIQAIKNZXZXAK-LBPRGKRZSA-N 1 0 395.714 2.989 20 0 GFADRO C[C@@]1(C[NH2+]C[C@@H](O)COc2ccc(Cl)cc2Br)CCOC1 ZINC000568741430 564432432 /nfs/dbraw/zinc/43/24/32/564432432.db2.gz UTCWZLZQVATNIR-DOMZBBRYSA-N 1 0 378.694 2.858 20 0 GFADRO Cc1cccc(Br)c1C(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000568772531 564434118 /nfs/dbraw/zinc/43/41/18/564434118.db2.gz VFYIQFCXUBEZEO-INIZCTEOSA-N 1 0 394.357 3.000 20 0 GFADRO CC1CCC([NH+]2CCN(c3ncc(I)cn3)CC2)CC1 ZINC000545916170 564437344 /nfs/dbraw/zinc/43/73/44/564437344.db2.gz AJAZQVPSSWMELU-UHFFFAOYSA-N 1 0 386.281 2.782 20 0 GFADRO Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)[NH2+]CCOc1ccc(Cl)cn1 ZINC000479395038 564439006 /nfs/dbraw/zinc/43/90/06/564439006.db2.gz RZTNECKOVCAWCP-ZDUSSCGKSA-N 1 0 383.901 2.729 20 0 GFADRO Cc1nc(C)c(S(=O)(=O)NC[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)s1 ZINC000568865445 564439221 /nfs/dbraw/zinc/43/92/21/564439221.db2.gz LGUBFDRPKGMHCK-GOEBONIOSA-N 1 0 383.514 2.571 20 0 GFADRO CC[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)N1CCC[C@H](C[NH3+])C1 ZINC000568967322 564442513 /nfs/dbraw/zinc/44/25/13/564442513.db2.gz RDGMWXXSJDRXPG-IUODEOHRSA-N 1 0 386.323 2.628 20 0 GFADRO C[NH+](C)[C@]1(CNc2cnn(Cc3ccccc3)c(=O)c2Cl)CCSC1 ZINC000479491348 564442707 /nfs/dbraw/zinc/44/27/07/564442707.db2.gz PNAHRNXZGUJDIL-SFHVURJKSA-N 1 0 378.929 2.794 20 0 GFADRO C[C@H](NC(=O)CNC(=O)c1sc2ccccc2c1Cl)[C@H]1CCC[NH2+]C1 ZINC000568982680 564443439 /nfs/dbraw/zinc/44/34/39/564443439.db2.gz IRJWCBVNSVAQEN-RYUDHWBXSA-N 1 0 379.913 2.789 20 0 GFADRO O=C1C[C@H](C[NH2+]Cc2cn(-c3ccc(Cl)cc3Cl)nn2)CN1C1CC1 ZINC000568991304 564444386 /nfs/dbraw/zinc/44/43/86/564444386.db2.gz RUBPFCGIASDXCQ-LLVKDONJSA-N 1 0 380.279 2.675 20 0 GFADRO C[C@H]([NH2+]CCNC(=O)C1CC1)c1ccc(F)c(I)c1 ZINC000453052265 564445011 /nfs/dbraw/zinc/44/50/11/564445011.db2.gz CLNGAIQCXNOXAS-VIFPVBQESA-N 1 0 376.213 2.607 20 0 GFADRO O=C(Nc1ccc(Br)cc1)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000479680864 564447382 /nfs/dbraw/zinc/44/73/82/564447382.db2.gz YPDMRGWYDLEEMP-CVEARBPZSA-N 1 0 382.302 2.948 20 0 GFADRO O=C(Nc1ccc(Br)cc1)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000479680866 564447398 /nfs/dbraw/zinc/44/73/98/564447398.db2.gz YPDMRGWYDLEEMP-HOTGVXAUSA-N 1 0 382.302 2.948 20 0 GFADRO C[C@@H](Cc1cnccn1)[NH2+]CCOc1ccc(I)cc1 ZINC000453213064 564449494 /nfs/dbraw/zinc/44/94/94/564449494.db2.gz LZXFSLPWHMZOKS-LBPRGKRZSA-N 1 0 383.233 2.681 20 0 GFADRO CC[C@@H](Cc1ccccc1Br)N(C)C(=O)CN1CC[NH+](CC)CC1 ZINC000479746710 564449572 /nfs/dbraw/zinc/44/95/72/564449572.db2.gz BJRDUWPQTOJDKN-KRWDZBQOSA-N 1 0 396.373 2.866 20 0 GFADRO COC1([C@@H](C)[NH2+]C[C@@H](CO)Cc2ccccc2Br)CCOCC1 ZINC000453200225 564450101 /nfs/dbraw/zinc/45/01/01/564450101.db2.gz AGZVQLYNBWPARA-CABCVRRESA-N 1 0 386.330 2.774 20 0 GFADRO Cc1ccc(C(=O)N2CC3CCC2(C[NH3+])CC3)cc1I ZINC000514611672 564451702 /nfs/dbraw/zinc/45/17/02/564451702.db2.gz MYMYUNIHWDYOPR-UHFFFAOYSA-N 1 0 384.261 2.943 20 0 GFADRO C[NH+](C)Cc1ccc(C(=O)NCc2nc3cc(Br)cnc3[nH]2)cc1 ZINC000479823668 564452204 /nfs/dbraw/zinc/45/22/04/564452204.db2.gz RCAVSGGKHZABML-UHFFFAOYSA-N 1 0 388.269 2.712 20 0 GFADRO Brc1ccc(-c2cnc(CN3CC[C@H](N4CC[NH2+]CC4)C3)o2)cc1 ZINC000514676707 564453385 /nfs/dbraw/zinc/45/33/85/564453385.db2.gz ZYWDUCHJLDQOSV-INIZCTEOSA-N 1 0 391.313 2.584 20 0 GFADRO CCN1C[C@H]([NH2+][C@@H](C)c2ccc(F)c(I)c2)CC1=O ZINC000453366517 564454898 /nfs/dbraw/zinc/45/48/98/564454898.db2.gz RJEXXFCBIVGMPQ-GXSJLCMTSA-N 1 0 376.213 2.702 20 0 GFADRO Cc1ccc(C[C@@H](CO)C[NH2+][C@@H](C)C(C)(C)n2cncn2)cc1Br ZINC000453372895 564455139 /nfs/dbraw/zinc/45/51/39/564455139.db2.gz NZNHLFKWZSZAOM-GOEBONIOSA-N 1 0 395.345 2.913 20 0 GFADRO C[C@@H](Cc1cnccn1)[NH2+]C[C@H](CO)Cc1ccc(F)c(Br)c1 ZINC000453369010 564455154 /nfs/dbraw/zinc/45/51/54/564455154.db2.gz NEONOBGAPBHPAY-GXTWGEPZSA-N 1 0 382.277 2.750 20 0 GFADRO COc1cc(CN2C[C@H]3C[NH2+]C[C@H]3C2)cc(Br)c1OC(F)F ZINC000479955750 564456065 /nfs/dbraw/zinc/45/60/65/564456065.db2.gz KCUYDYLONQTPFR-PHIMTYICSA-N 1 0 377.229 2.710 20 0 GFADRO Cc1ccc(C[C@H](CO)C[NH2+][C@@H](C)Cc2cnccn2)cc1Br ZINC000453379660 564456301 /nfs/dbraw/zinc/45/63/01/564456301.db2.gz QPVAFMWTBCCGBL-HOCLYGCPSA-N 1 0 378.314 2.919 20 0 GFADRO CN(C[C@H]1CCC[N@H+](Cc2cccc(OC(F)(F)F)c2)C1)S(C)(=O)=O ZINC000514758235 564456390 /nfs/dbraw/zinc/45/63/90/564456390.db2.gz IRCFDGBPNJYJFX-CQSZACIVSA-N 1 0 380.432 2.689 20 0 GFADRO Cc1c(Br)cccc1CNC(=O)N[C@@H](C)CC[NH+]1CCN(C)CC1 ZINC000569257071 564456534 /nfs/dbraw/zinc/45/65/34/564456534.db2.gz QWPZAVATEAQXTN-AWEZNQCLSA-N 1 0 397.361 2.583 20 0 GFADRO Cc1cc(Br)c(CN2CCN(C(=O)C[NH+]3CCCC3)CC2)s1 ZINC000453562396 564456834 /nfs/dbraw/zinc/45/68/34/564456834.db2.gz KSWWWAGOGVIGTH-UHFFFAOYSA-N 1 0 386.359 2.559 20 0 GFADRO CC[C@@H](C)[NH+]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC)CC1 ZINC000453473009 564457237 /nfs/dbraw/zinc/45/72/37/564457237.db2.gz WNEAKGJKDFSAFV-GFCCVEGCSA-N 1 0 381.322 2.976 20 0 GFADRO COc1ccc(Br)cc1CNC(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000569333436 564459194 /nfs/dbraw/zinc/45/91/94/564459194.db2.gz SUQNHJYRTVMONE-UONOGXRCSA-N 1 0 396.329 2.989 20 0 GFADRO C[N@@H+]1CC[C@](O)(CNCc2csc(-c3cccc(Br)c3)n2)C1 ZINC000546562628 564459274 /nfs/dbraw/zinc/45/92/74/564459274.db2.gz BTJMJLMNWMVXOQ-INIZCTEOSA-N 1 0 382.327 2.729 20 0 GFADRO Brc1c(-c2nc(CC3=[NH+][C@H]4CCCC[C@@H]4N3)no2)n[nH]c1C1CC1 ZINC000546551756 564459338 /nfs/dbraw/zinc/45/93/38/564459338.db2.gz XYNPWXMLSZIMHB-UWVGGRQHSA-N 1 0 391.273 2.955 20 0 GFADRO Cc1ccc(SCC(F)(F)F)c(NC(=O)NC[C@@]2(O)CC[N@@H+](C)C2)c1 ZINC000546576805 564459845 /nfs/dbraw/zinc/45/98/45/564459845.db2.gz FSVQKFXEWGRGFW-HNNXBMFYSA-N 1 0 377.432 2.838 20 0 GFADRO O=S(=O)(CC[NH2+]C[C@H](O)Cc1cccc(Cl)c1)c1ccc(Cl)cc1 ZINC000514856355 564460210 /nfs/dbraw/zinc/46/02/10/564460210.db2.gz YGTZHIXIVKPTJM-MRXNPFEDSA-N 1 0 388.316 2.960 20 0 GFADRO C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N1CC2CCC1(C[NH3+])CC2 ZINC000569374161 564460808 /nfs/dbraw/zinc/46/08/08/564460808.db2.gz SSLAFAHUBVLARQ-OMTHAAKESA-N 1 0 384.307 2.842 20 0 GFADRO C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N1CC2CCC1(C[NH3+])CC2 ZINC000569374162 564461116 /nfs/dbraw/zinc/46/11/16/564461116.db2.gz SSLAFAHUBVLARQ-VQQRXRCHSA-N 1 0 384.307 2.842 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]C[C@@H]1CC[C@@H](C)O1 ZINC000453636313 564461425 /nfs/dbraw/zinc/46/14/25/564461425.db2.gz WPOWTAHRCQNFCM-XUJVJEKNSA-N 1 0 385.302 2.620 20 0 GFADRO Cc1cc(C[C@H](C)[NH2+][C@@H]2CCS(=O)(=O)c3ccc(Br)cc32)[nH]n1 ZINC000480159867 564461504 /nfs/dbraw/zinc/46/15/04/564461504.db2.gz MXRUYCVYRUBVCA-ZUZCIYMTSA-N 1 0 398.326 2.920 20 0 GFADRO CCC(CC)[C@@H](CNC(=O)C(=O)Nc1cc(Br)cnc1C)[NH+](C)C ZINC000453646263 564462304 /nfs/dbraw/zinc/46/23/04/564462304.db2.gz PSUHYKBINKLEKN-OAHLLOKOSA-N 1 0 399.333 2.574 20 0 GFADRO CO[C@H](C[NH2+][C@H]1CCS(=O)(=O)c2ccc(Br)cc21)C(C)C ZINC000480173521 564462453 /nfs/dbraw/zinc/46/24/53/564462453.db2.gz XDZGSGDFNQABKX-UONOGXRCSA-N 1 0 376.316 2.928 20 0 GFADRO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CC1(N2CCOCC2)CC1 ZINC000569432632 564462547 /nfs/dbraw/zinc/46/25/47/564462547.db2.gz GRUNDRVHLVYXNO-CQSZACIVSA-N 1 0 396.329 2.621 20 0 GFADRO CN(CCC[NH+]1CCCC1)C(=O)c1cc(Br)c2c(c1)OCCO2 ZINC000546694186 564464869 /nfs/dbraw/zinc/46/48/69/564464869.db2.gz UMCXWCUAOFGZPM-UHFFFAOYSA-N 1 0 383.286 2.778 20 0 GFADRO COc1c(Br)cc(Cl)cc1NC(=O)NCCOCC[NH+](C)C ZINC000546741279 564466827 /nfs/dbraw/zinc/46/68/27/564466827.db2.gz GNOSZQNJRADYOY-UHFFFAOYSA-N 1 0 394.697 2.811 20 0 GFADRO [NH3+]CCC1CCN(C(=O)N[C@H]2COc3cc(F)c(Br)cc32)CC1 ZINC000515067315 564468223 /nfs/dbraw/zinc/46/82/23/564468223.db2.gz CGSCJSZNHLWUMQ-AWEZNQCLSA-N 1 0 386.265 2.792 20 0 GFADRO C[N@H+](CCNC(=O)NCCc1c[nH]c2cccc(Br)c12)C1CC1 ZINC000515129498 564469849 /nfs/dbraw/zinc/46/98/49/564469849.db2.gz SJAIDXYQBNAYCQ-UHFFFAOYSA-N 1 0 379.302 2.866 20 0 GFADRO [NH3+]CC12CCC(CC1)CN2C(=O)c1ccn(-c2cccc(Br)c2)n1 ZINC000569587306 564470852 /nfs/dbraw/zinc/47/08/52/564470852.db2.gz GTFRMOBYEBKYAW-UHFFFAOYSA-N 1 0 389.297 2.978 20 0 GFADRO NC(=O)[C@H]1CCC[N@H+](CCCNCc2cc(Br)c(Cl)s2)C1 ZINC000480387028 564471216 /nfs/dbraw/zinc/47/12/16/564471216.db2.gz JJIYSXKYWGSGBG-JTQLQIEISA-N 1 0 394.766 2.841 20 0 GFADRO Cc1ccc(NC(=O)C(=O)N2CC[N@@H+](C3CC3)C[C@H](C)C2)c(Br)c1 ZINC000453773845 564471241 /nfs/dbraw/zinc/47/12/41/564471241.db2.gz SIHMCQDMJMFVCW-ZDUSSCGKSA-N 1 0 394.313 2.639 20 0 GFADRO [NH3+]CCC1CCN(C(=O)c2ccn(-c3cccc(Br)c3)n2)CC1 ZINC000569617182 564471520 /nfs/dbraw/zinc/47/15/20/564471520.db2.gz PSZONKDEYDLETP-UHFFFAOYSA-N 1 0 377.286 2.836 20 0 GFADRO COCCNC(=O)[C@H]1CC[C@H](C)[N@H+](Cc2ccc(OC)cc2Br)C1 ZINC000569648941 564472161 /nfs/dbraw/zinc/47/21/61/564472161.db2.gz GEQIYGWHVHRMDO-ZFWWWQNUSA-N 1 0 399.329 2.821 20 0 GFADRO FC(F)Oc1c(Br)cccc1C[NH2+]CCN1CCCOCC1 ZINC000569625855 564472364 /nfs/dbraw/zinc/47/23/64/564472364.db2.gz QTFIOZAHHMDZET-UHFFFAOYSA-N 1 0 379.245 2.862 20 0 GFADRO [NH3+]CCC1CCN(C(=O)c2ccc(S(=O)(=O)c3ccccc3)s2)CC1 ZINC000515308225 564474989 /nfs/dbraw/zinc/47/49/89/564474989.db2.gz YJRXWGJTYBYKCF-UHFFFAOYSA-N 1 0 378.519 2.782 20 0 GFADRO CN(C)CC[N@H+](C)CCCNS(=O)(=O)c1c(Cl)ccc2ccccc21 ZINC000569732568 564476026 /nfs/dbraw/zinc/47/60/26/564476026.db2.gz LXBRVHZBWULCDF-UHFFFAOYSA-N 1 0 383.945 2.655 20 0 GFADRO C[NH+](C)CCN1CCN(C(=O)c2cc(Cl)cc(F)c2Br)CC1 ZINC000569831197 564480303 /nfs/dbraw/zinc/48/03/03/564480303.db2.gz GRXAGVAUEXGQHR-UHFFFAOYSA-N 1 0 392.700 2.561 20 0 GFADRO CC(C)(C)[N@@H+]1CCc2nc(NC(=O)CNC(=O)c3ccsc3)sc2C1 ZINC000569838950 564480318 /nfs/dbraw/zinc/48/03/18/564480318.db2.gz WPKZTQOSASPNAI-UHFFFAOYSA-N 1 0 378.523 2.730 20 0 GFADRO COC1(C(=O)N2CCC(c3ccccc3Br)CC2)CC[NH2+]CC1 ZINC000569848163 564481006 /nfs/dbraw/zinc/48/10/06/564481006.db2.gz UWCCVMSDDCDAFV-UHFFFAOYSA-N 1 0 381.314 2.924 20 0 GFADRO O=C(NC[C@H]1CCC[NH2+]1)Nc1ccnn1Cc1ccccc1Br ZINC000515518079 564481177 /nfs/dbraw/zinc/48/11/77/564481177.db2.gz ZIDNIHHBEFAQRX-CYBMUJFWSA-N 1 0 378.274 2.567 20 0 GFADRO C[C@@H]1[C@@H]([NH2+][C@@H]2CCS(=O)(=O)c3ccc(Br)cc32)CCCN1C ZINC000480666397 564481419 /nfs/dbraw/zinc/48/14/19/564481419.db2.gz RURNREHRIMQDJA-BYCMXARLSA-N 1 0 387.343 2.740 20 0 GFADRO O=S(=O)(c1cc(Br)ccc1F)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000569913282 564484045 /nfs/dbraw/zinc/48/40/45/564484045.db2.gz ADBHMVVYNHGXFF-UONOGXRCSA-N 1 0 391.306 2.883 20 0 GFADRO CC(C)[N@H+](C)Cc1ccccc1CNc1ncc(I)cn1 ZINC000547328339 564484612 /nfs/dbraw/zinc/48/46/12/564484612.db2.gz NWYRVLPNMOYPCX-UHFFFAOYSA-N 1 0 396.276 3.534 20 0 GFADRO CN1CC[NH2+]C[C@H]1CNC(=O)c1csc(-c2ccc(Cl)c(Cl)c2)n1 ZINC000570036986 564488385 /nfs/dbraw/zinc/48/83/85/564488385.db2.gz DKUIMGXJVLYOSZ-NSHDSACASA-N 1 0 385.320 2.750 20 0 GFADRO CCc1nncn1CC[NH2+]Cc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000547468048 564489669 /nfs/dbraw/zinc/48/96/69/564489669.db2.gz IHJXZGOUICRSRY-UHFFFAOYSA-N 1 0 375.274 2.783 20 0 GFADRO OC[C@@H](C[NH+]1CCCCC1)Nc1ncnc2cc(F)c(Br)cc21 ZINC000570159005 564493570 /nfs/dbraw/zinc/49/35/70/564493570.db2.gz QEAMNFGATFTKAR-LLVKDONJSA-N 1 0 383.265 2.790 20 0 GFADRO COC(=O)c1cc(S(=O)(=O)N[C@H](C)[C@H](c2ccccc2)[NH+](C)C)cs1 ZINC000480898638 564494596 /nfs/dbraw/zinc/49/45/96/564494596.db2.gz NNJPASDGSAUBIE-MLGOLLRUSA-N 1 0 382.507 2.504 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)C(=O)NCCCC[N@@H+](C)C1CC1 ZINC000454105676 564497988 /nfs/dbraw/zinc/49/79/88/564497988.db2.gz ZPAOSSLMGFLNAE-UHFFFAOYSA-N 1 0 382.302 2.687 20 0 GFADRO O=S(=O)(c1ccc(C(F)(F)F)cn1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000481010539 564500909 /nfs/dbraw/zinc/50/09/09/564500909.db2.gz RKPDTOIPZHIKLW-AWEZNQCLSA-N 1 0 377.432 2.739 20 0 GFADRO COc1ccc(Br)cc1CNC(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000570382248 564503911 /nfs/dbraw/zinc/50/39/11/564503911.db2.gz LNIWBFURMIIIIM-YWPYICTPSA-N 1 0 382.302 2.645 20 0 GFADRO CC[C@H]1C[N@H+](C)CCCN1S(=O)(=O)c1cc(OC)ccc1Br ZINC000516514277 564504285 /nfs/dbraw/zinc/50/42/85/564504285.db2.gz NYXVWHCGSZMUCA-LBPRGKRZSA-N 1 0 391.331 2.563 20 0 GFADRO C[N@@H+]1CC[C@@H](C(=O)N2CC[C@@H](Cc3cccc(I)c3)C2)C1 ZINC000570402491 564504572 /nfs/dbraw/zinc/50/45/72/564504572.db2.gz AANYJNKPJYIJCF-LSDHHAIUSA-N 1 0 398.288 2.634 20 0 GFADRO O=C(NCCCC[NH+]1CCOCC1)NCCOc1ccc(Cl)c(Cl)c1 ZINC000454325271 564506286 /nfs/dbraw/zinc/50/62/86/564506286.db2.gz MGBFLMNAYMIUMU-UHFFFAOYSA-N 1 0 390.311 2.784 20 0 GFADRO Cc1ncsc1CCS(=O)(=O)N[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000570480352 564507241 /nfs/dbraw/zinc/50/72/41/564507241.db2.gz ZMDDMXLBHVWGIL-DOTOQJQBSA-N 1 0 379.551 2.749 20 0 GFADRO O=C(NCc1c(Cl)cccc1Cl)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000570587864 564513015 /nfs/dbraw/zinc/51/30/15/564513015.db2.gz SWNHXTIDNHDUEW-ZDUSSCGKSA-N 1 0 384.307 2.696 20 0 GFADRO O=C(Nc1ccc(Oc2cccc(Br)c2)nc1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000516855118 564513990 /nfs/dbraw/zinc/51/39/90/564513990.db2.gz WGVQZLZJZWLYDY-FOLVSLTJSA-N 1 0 389.253 2.976 20 0 GFADRO C[NH+](C)CCCC(C)(C)NC(=O)NCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000454557914 564514344 /nfs/dbraw/zinc/51/43/44/564514344.db2.gz CJWGKFPDORLGIR-UHFFFAOYSA-N 1 0 389.949 2.533 20 0 GFADRO C[C@H](Oc1ccc(F)cc1Br)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000570625314 564514789 /nfs/dbraw/zinc/51/47/89/564514789.db2.gz NKLDOQJYAUETOZ-HTTKSJEASA-N 1 0 385.277 2.941 20 0 GFADRO COc1c[nH+]ccc1N1CCN(S(=O)(=O)c2cccc(C)c2Cl)CC1 ZINC000481500880 564515046 /nfs/dbraw/zinc/51/50/46/564515046.db2.gz HGIGWFNMHMMGQY-UHFFFAOYSA-N 1 0 381.885 2.563 20 0 GFADRO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@H](O)CCc1ccccc1 ZINC000516917490 564516239 /nfs/dbraw/zinc/51/62/39/564516239.db2.gz LSALSVWGRTYVHX-WMLDXEAASA-N 1 0 379.298 2.583 20 0 GFADRO CC[NH+](CC)C[C@@H](C)NS(=O)(=O)c1cc(Br)c(F)cc1OC ZINC000570698577 564517943 /nfs/dbraw/zinc/51/79/43/564517943.db2.gz HRHUJMJWHRKCGJ-SNVBAGLBSA-N 1 0 397.310 2.605 20 0 GFADRO Cc1nc(CNC(=O)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)sc1Br ZINC000454662706 564517960 /nfs/dbraw/zinc/51/79/60/564517960.db2.gz HWSJSCGMBVEPAU-GXSJLCMTSA-N 1 0 375.336 2.742 20 0 GFADRO CCC[C@@H]1C[NH2+]CCN1C(=O)c1nn(-c2ccc(F)cc2)cc1Br ZINC000570717361 564518170 /nfs/dbraw/zinc/51/81/70/564518170.db2.gz YIESGXCHRHEQTM-CQSZACIVSA-N 1 0 395.276 2.988 20 0 GFADRO C[C@H](Cc1ccccc1C(F)(F)F)[NH2+]CCS(=O)(=O)NCC1CCC1 ZINC000481673708 564518992 /nfs/dbraw/zinc/51/89/92/564518992.db2.gz STRIREHBLSKEPK-CYBMUJFWSA-N 1 0 378.460 2.946 20 0 GFADRO CS[C@@H]1CN(C(=O)c2cc(C)n(-c3ccc(Cl)cc3)n2)C[C@@H]1[NH+](C)C ZINC000481724706 564520384 /nfs/dbraw/zinc/52/03/84/564520384.db2.gz NDOYRQGADLYKHE-DLBZAZTESA-N 1 0 378.929 2.952 20 0 GFADRO O=C(COc1cccc(Br)c1)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000517024226 564521564 /nfs/dbraw/zinc/52/15/64/564521564.db2.gz GJDBYWVHIJUCEH-DLBZAZTESA-N 1 0 375.266 2.700 20 0 GFADRO CC[N@H+](C)C[C@H](O)CN1CCC[C@H]1c1ccc(I)cc1 ZINC000570825015 564523374 /nfs/dbraw/zinc/52/33/74/564523374.db2.gz VDUQUVBASQJTGF-HOTGVXAUSA-N 1 0 388.293 2.741 20 0 GFADRO COCCOc1ccc(NC(=O)NC[C@]2([NH+](C)C)CCSC2)cc1Cl ZINC000481791485 564524273 /nfs/dbraw/zinc/52/42/73/564524273.db2.gz WDNFIFPJJKOXTG-QGZVFWFLSA-N 1 0 387.933 2.924 20 0 GFADRO O=C(c1ccc2c[nH+]cn2c1)N(CCO)Cc1ccc(Br)s1 ZINC000570873832 564524907 /nfs/dbraw/zinc/52/49/07/564524907.db2.gz VJIUBAZQHIXRRD-UHFFFAOYSA-N 1 0 380.267 2.793 20 0 GFADRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)NCC1(c2c(Cl)cccc2Cl)CCC1 ZINC000517145995 564525069 /nfs/dbraw/zinc/52/50/69/564525069.db2.gz UYERYGDTIRVOSZ-VXGBXAGGSA-N 1 0 386.323 2.773 20 0 GFADRO O=C(CNC(=O)c1sc2ccccc2c1Cl)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000517149507 564525095 /nfs/dbraw/zinc/52/50/95/564525095.db2.gz YZTVJCVLFUPEDG-LBPRGKRZSA-N 1 0 377.897 2.637 20 0 GFADRO C[C@@H]([NH3+])C[C@H](C)NC(=O)c1nn(-c2cccc(Br)c2)c2c1CCC2 ZINC000517150378 564525152 /nfs/dbraw/zinc/52/51/52/564525152.db2.gz MEJYRWZXFJNLGV-NEPJUHHUSA-N 1 0 391.313 2.979 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000517139236 564525346 /nfs/dbraw/zinc/52/53/46/564525346.db2.gz CWBKTCSPYRNHAK-NEPJUHHUSA-N 1 0 385.306 2.511 20 0 GFADRO Cc1ccc(I)cc1C(=O)N1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000517173276 564526075 /nfs/dbraw/zinc/52/60/75/564526075.db2.gz VTCADABUTFPYRQ-UONOGXRCSA-N 1 0 384.261 2.908 20 0 GFADRO C[N@H+](CCn1cc(Br)cn1)[C@@H]1CCCN(c2cccc(F)c2)C1=O ZINC000517199085 564526994 /nfs/dbraw/zinc/52/69/94/564526994.db2.gz HAURMKYUVBNMBP-MRXNPFEDSA-N 1 0 395.276 2.912 20 0 GFADRO Cc1cc(Br)cc(C)c1CNC(=O)N[C@@H](C)CN1CC[NH+](C)CC1 ZINC000517339546 564531077 /nfs/dbraw/zinc/53/10/77/564531077.db2.gz KCJLWFYYYWPQKB-HNNXBMFYSA-N 1 0 397.361 2.501 20 0 GFADRO CNC(=O)C1CCC([NH2+]C[C@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000517362102 564531703 /nfs/dbraw/zinc/53/17/03/564531703.db2.gz ZAZLGPKINZIMAD-UBHUBRDASA-N 1 0 375.296 2.628 20 0 GFADRO COCCOc1ccc(Br)cc1NC(=O)NC(C)(C)C[NH+](C)C ZINC000455096966 564536989 /nfs/dbraw/zinc/53/69/89/564536989.db2.gz VJGHSZPOJJJRAK-UHFFFAOYSA-N 1 0 388.306 2.936 20 0 GFADRO CN(C(=O)c1ccn(-c2cccc(Br)c2)n1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000517649207 564538410 /nfs/dbraw/zinc/53/84/10/564538410.db2.gz BPFRRWRMSFHKMB-INIZCTEOSA-N 1 0 389.297 2.944 20 0 GFADRO O=C(NCC[C@H]1CCC[NH2+]C1)N[C@H]1CCN(c2ccccc2Br)C1 ZINC000517719264 564540170 /nfs/dbraw/zinc/54/01/70/564540170.db2.gz JLUDQYIPNHACTH-CABCVRRESA-N 1 0 395.345 2.717 20 0 GFADRO COCC1(C(=O)NCCc2cc(Cl)ccc2Br)CC[NH2+]CC1 ZINC000517738067 564541309 /nfs/dbraw/zinc/54/13/09/564541309.db2.gz BLTBCPZBHZEKGX-UHFFFAOYSA-N 1 0 389.721 2.777 20 0 GFADRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)CNC(=O)c1ccc(Cl)cc1Cl ZINC000517907217 564542811 /nfs/dbraw/zinc/54/28/11/564542811.db2.gz WUNPCWFEVSGCDW-OCCSQVGLSA-N 1 0 384.307 2.808 20 0 GFADRO CC[NH+](CC)CCN(CCOC)S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000517869370 564542978 /nfs/dbraw/zinc/54/29/78/564542978.db2.gz DHPQJFIWPRCUJP-UHFFFAOYSA-N 1 0 383.341 2.972 20 0 GFADRO CC[N@@H+]1C[C@@H](C)N(C(=O)NCc2nc(C)c(Br)s2)C[C@@H]1C ZINC000455227627 564543875 /nfs/dbraw/zinc/54/38/75/564543875.db2.gz IMDMXQDMPULGIK-VHSXEESVSA-N 1 0 375.336 2.838 20 0 GFADRO O=C(c1ccc(I)cn1)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000455373137 564551017 /nfs/dbraw/zinc/55/10/17/564551017.db2.gz AGHKLCMZYXBYQC-CQSZACIVSA-N 1 0 399.276 2.777 20 0 GFADRO CN(C(=O)c1cnn(-c2cccc(Br)c2)c1)[C@@H]1C[NH+]2CCC1CC2 ZINC000518432049 564553451 /nfs/dbraw/zinc/55/34/51/564553451.db2.gz IVDVMYUUFIPHOC-QGZVFWFLSA-N 1 0 389.297 2.801 20 0 GFADRO C[C@@H]1CC[NH2+]C[C@@H]1NS(=O)(=O)Cc1ccc(Cl)cc1Br ZINC000571561658 564557220 /nfs/dbraw/zinc/55/72/20/564557220.db2.gz SVTPKIBJNGEJRX-RNCFNFMXSA-N 1 0 381.723 2.520 20 0 GFADRO CSc1ccc(OCC[N@@H+]2CCC[C@@H](CNS(=O)(=O)C3CC3)C2)cc1 ZINC000518607479 564558106 /nfs/dbraw/zinc/55/81/06/564558106.db2.gz CKMFOEVYRVWIFO-HNNXBMFYSA-N 1 0 384.567 2.581 20 0 GFADRO CC[C@@H]1C[N@H+](C)CCN1C(=O)Nc1cccc(C(=O)OC)c1Br ZINC000518702631 564559672 /nfs/dbraw/zinc/55/96/72/564559672.db2.gz PHAOEIRNSBVHHO-LLVKDONJSA-N 1 0 384.274 2.794 20 0 GFADRO CCN(CCC[NH+](C)C)C(=O)Nc1ccn(-c2ccc(Br)cc2)n1 ZINC000455619163 564560762 /nfs/dbraw/zinc/56/07/62/564560762.db2.gz JCERUQSRCGFAMC-UHFFFAOYSA-N 1 0 394.317 3.440 20 0 GFADRO COc1ccc(CN(CC[NH+](C)C)C[C@H]2CCCO2)c(Br)c1O ZINC000518746319 564560999 /nfs/dbraw/zinc/56/09/99/564560999.db2.gz RFEXLANHLUDSHL-CQSZACIVSA-N 1 0 387.318 2.706 20 0 GFADRO Cc1ccc(C[N@H+](CCO)C[C@H](O)COc2ccc(Br)cc2)o1 ZINC000483205857 564561208 /nfs/dbraw/zinc/56/12/08/564561208.db2.gz VXKDVCLFZYEEIY-HNNXBMFYSA-N 1 0 384.270 2.585 20 0 GFADRO C[C@@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[N@@H+]1CC[C@](C)(C(N)=O)C1 ZINC000483280061 564562922 /nfs/dbraw/zinc/56/29/22/564562922.db2.gz JFHLZEKURCAFRH-VFZGTOFNSA-N 1 0 377.794 2.883 20 0 GFADRO CC[NH+]1C[C@H](C)N(C(=O)Cc2cccc(I)c2)[C@@H](C)C1 ZINC000518829013 564563783 /nfs/dbraw/zinc/56/37/83/564563783.db2.gz VSNLMRRCUVTWJZ-STQMWFEESA-N 1 0 386.277 2.775 20 0 GFADRO COc1ccc(S(=O)(=O)NCC(C)(C)[NH+]2CCC(OC)CC2)c(Cl)c1 ZINC000571715881 564563965 /nfs/dbraw/zinc/56/39/65/564563965.db2.gz RXZWOYNOOKAZIB-UHFFFAOYSA-N 1 0 390.933 2.516 20 0 GFADRO C[C@@H](Cc1cccc(Br)c1)NC(=O)Nc1ccnn1CC[NH+](C)C ZINC000455668608 564564029 /nfs/dbraw/zinc/56/40/29/564564029.db2.gz LQRYWROWSIJJDV-ZDUSSCGKSA-N 1 0 394.317 2.960 20 0 GFADRO C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000518957626 564565232 /nfs/dbraw/zinc/56/52/32/564565232.db2.gz ODVPIBZJUVBPPU-WCQYABFASA-N 1 0 384.307 2.807 20 0 GFADRO C[N@@H+]1CC[C@@H](CNC(=O)CCOc2ccc(Cl)cc2Br)C1 ZINC000518924010 564565601 /nfs/dbraw/zinc/56/56/01/564565601.db2.gz IBCWNGWTMGIWQF-NSHDSACASA-N 1 0 375.694 2.939 20 0 GFADRO C[C@H]1C[NH+](CCCNC(=O)Nc2nc(CC(F)(F)F)cs2)C[C@H](C)O1 ZINC000455698992 564565871 /nfs/dbraw/zinc/56/58/71/564565871.db2.gz LEOOISJTRJCKDU-QWRGUYRKSA-N 1 0 380.436 2.869 20 0 GFADRO C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000518957627 564566000 /nfs/dbraw/zinc/56/60/00/564566000.db2.gz ODVPIBZJUVBPPU-YPMHNXCESA-N 1 0 384.307 2.807 20 0 GFADRO COc1ccc(C(=O)C(=O)N2C[C@H](SC)[C@@H]([NH+]3CCCC3)C2)cc1Cl ZINC000483410420 564567541 /nfs/dbraw/zinc/56/75/41/564567541.db2.gz QLWHPWOECBQILX-HOCLYGCPSA-N 1 0 382.913 2.570 20 0 GFADRO Cc1ncc(Br)cc1NC(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000455825730 564573132 /nfs/dbraw/zinc/57/31/32/564573132.db2.gz BUUOMLVGGWWQQL-VXGBXAGGSA-N 1 0 385.306 2.773 20 0 GFADRO CC[N@H+](CCNC(=O)NC[C@@H](C)Oc1ccccc1Br)C1CC1 ZINC000483759545 564574657 /nfs/dbraw/zinc/57/46/57/564574657.db2.gz LEYGOCFWKJXKBZ-CYBMUJFWSA-N 1 0 384.318 3.000 20 0 GFADRO CCC[N@@H+]1CC[C@H](CNC(=O)Nc2cc(N(C)C)c(Br)cn2)C1 ZINC000455870440 564577696 /nfs/dbraw/zinc/57/76/96/564577696.db2.gz SLJRUYYIEVOUMT-GFCCVEGCSA-N 1 0 384.322 2.764 20 0 GFADRO O=C(Nc1ccccc1Br)C1CC[NH+](CC[C@@H]2CCNC2=O)CC1 ZINC000572055357 564579275 /nfs/dbraw/zinc/57/92/75/564579275.db2.gz IVZSAABKOKLNMW-ZDUSSCGKSA-N 1 0 394.313 2.626 20 0 GFADRO COc1c(F)cc(NC(=O)NC[C@@]2([NH+](C)C)CCSC2)c(OC)c1F ZINC000455898574 564579476 /nfs/dbraw/zinc/57/94/76/564579476.db2.gz UBFBWFXCWNTVLI-INIZCTEOSA-N 1 0 375.441 2.541 20 0 GFADRO O=C1C[C@H](NCc2cn(-c3ccc(Cl)c(Cl)c3)nn2)[C@H]2CCCCN12 ZINC000548976105 564582185 /nfs/dbraw/zinc/58/21/85/564582185.db2.gz BCCHVIMPJXODHE-JKSUJKDBSA-N 1 0 380.279 2.817 20 0 GFADRO COc1ccc(Br)cc1C(=O)CCC(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000484145351 564582747 /nfs/dbraw/zinc/58/27/47/564582747.db2.gz RPFBJPWFNGHDDR-VXGBXAGGSA-N 1 0 383.286 2.616 20 0 GFADRO C[C@H](Cn1ccnc1)[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000572148957 564583227 /nfs/dbraw/zinc/58/32/27/564583227.db2.gz LLCABOVFVDQZAH-DGCLKSJQSA-N 1 0 388.693 2.717 20 0 GFADRO O=C(N[C@H]1CCC[N@@H+](CCCO)C1)[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000456026432 564584571 /nfs/dbraw/zinc/58/45/71/564584571.db2.gz FAQLJWPIBBZYFB-YESZJQIVSA-N 1 0 381.314 2.516 20 0 GFADRO C[C@H]1CC[N@H+](C)CCN1C(=O)C(=O)Nc1cccc(Cl)c1Br ZINC000484255834 564584992 /nfs/dbraw/zinc/58/49/92/564584992.db2.gz DMHNDCHQLNQEBB-JTQLQIEISA-N 1 0 388.693 2.594 20 0 GFADRO NC(=O)c1ccc(C[NH2+][C@H]2CCCOc3c(Br)cccc32)cn1 ZINC000484282218 564585703 /nfs/dbraw/zinc/58/57/03/564585703.db2.gz XBDBBTONIYXPEH-AWEZNQCLSA-N 1 0 376.254 2.947 20 0 GFADRO Brc1cncc(Br)c1C[NH2+][C@@H]1CCc2n[nH]cc2C1 ZINC000519672468 564586096 /nfs/dbraw/zinc/58/60/96/564586096.db2.gz LAIOMAIKPBJLKM-SECBINFHSA-N 1 0 386.091 2.977 20 0 GFADRO CCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[N@H+](C)[C@H](C(C)C)C1 ZINC000549089876 564586357 /nfs/dbraw/zinc/58/63/57/564586357.db2.gz TZMDPVYTTJENLQ-AWEZNQCLSA-N 1 0 381.322 2.832 20 0 GFADRO CN1CCN(C(=O)CC[N@@H+](Cc2cccc(Br)c2)CC2CC2)CC1 ZINC000549164478 564586808 /nfs/dbraw/zinc/58/68/08/564586808.db2.gz GPHUBELRBPDHCJ-UHFFFAOYSA-N 1 0 394.357 2.825 20 0 GFADRO Cc1ccc(CN2C(=O)N[C@@]3(CCCC[C@H]3C[NH3+])C2=O)c(Br)c1 ZINC000519713570 564587997 /nfs/dbraw/zinc/58/79/97/564587997.db2.gz NQAOLFYYBRHSKY-SUMWQHHRSA-N 1 0 380.286 2.697 20 0 GFADRO C[NH+](C)C[C@H](NC(=O)[C@H]1CCN(CC(F)(F)F)C1)c1ccc(Cl)cc1 ZINC000549233468 564589043 /nfs/dbraw/zinc/58/90/43/564589043.db2.gz ZJNREUOUTCCGGU-ZFWWWQNUSA-N 1 0 377.838 2.943 20 0 GFADRO C[NH+](C)C[C@@H](NC(=O)CCNC(=O)c1cccs1)c1ccc(Cl)cc1 ZINC000549239488 564589928 /nfs/dbraw/zinc/58/99/28/564589928.db2.gz DJRFZZHIESROBD-OAHLLOKOSA-N 1 0 379.913 2.941 20 0 GFADRO COCC[C@H](Cc1cccc(Br)c1)C(=O)N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000484539646 564590154 /nfs/dbraw/zinc/59/01/54/564590154.db2.gz CUAOLSQNVQXLKX-NUEKZKHPSA-N 1 0 383.330 2.840 20 0 GFADRO CCO[C@H]1COCC[C@@H]1[NH2+]CC(=O)N(C)Cc1cc(Cl)cc(Cl)c1 ZINC000484616297 564592591 /nfs/dbraw/zinc/59/25/91/564592591.db2.gz MRUNXUQZABGBRD-HOTGVXAUSA-N 1 0 375.296 2.735 20 0 GFADRO CCO[C@@H]1COCC[C@H]1[NH2+]CC(=O)N[C@@H](C)c1ccc(Cl)cc1Cl ZINC000484627458 564593020 /nfs/dbraw/zinc/59/30/20/564593020.db2.gz ZWZLKTVQGIMSNO-IUIKQTSFSA-N 1 0 375.296 2.954 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)C(=O)NCC[N@H+]1CC=C(C)CC1 ZINC000572419638 564594468 /nfs/dbraw/zinc/59/44/68/564594468.db2.gz ZSOZLDCXSBXCBS-UHFFFAOYSA-N 1 0 394.313 2.718 20 0 GFADRO CCO[C@@H]1COCC[C@@H]1[NH2+]Cc1cc2c(cc1Br)OCCCO2 ZINC000484658800 564594577 /nfs/dbraw/zinc/59/45/77/564594577.db2.gz XEHNNEBTHZTNGA-WMLDXEAASA-N 1 0 386.286 2.894 20 0 GFADRO C[C@H](CNC(=O)N1CC[C@@H](C[NH+](C)C)C1)Oc1ccc(Br)cc1 ZINC000484713116 564595298 /nfs/dbraw/zinc/59/52/98/564595298.db2.gz XBMASZUNVXGNRA-KGLIPLIRSA-N 1 0 384.318 2.810 20 0 GFADRO CN1CCO[C@H]([C@@H](NC(=O)N[C@H]2CSC2(C)C)c2ccc(Cl)cc2)C1 ZINC000549545440 564597694 /nfs/dbraw/zinc/59/76/94/564597694.db2.gz TZJDBKLMVKARGH-JYJNAYRXSA-N 1 0 383.945 2.905 20 0 GFADRO O=S(=O)(Cc1ccc(Cl)cc1Br)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000572521232 564598689 /nfs/dbraw/zinc/59/86/89/564598689.db2.gz AHLHZGKQLVSKSY-CYBMUJFWSA-N 1 0 393.734 2.759 20 0 GFADRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)Nc1ccc(Br)cc1C(F)(F)F ZINC000572602236 564601602 /nfs/dbraw/zinc/60/16/02/564601602.db2.gz LQKLGXDEHJJXDX-HTQZYQBOSA-N 1 0 396.207 2.648 20 0 GFADRO CC(C)N(Cc1ccc(Br)cc1)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000572619702 564602292 /nfs/dbraw/zinc/60/22/92/564602292.db2.gz GTIXSAPJQTYYJI-MRXNPFEDSA-N 1 0 384.318 2.748 20 0 GFADRO C[C@H]1C[N@H+](C)CCN1c1ccc(Br)cc1NC(=O)COCC1CC1 ZINC000456377118 564603676 /nfs/dbraw/zinc/60/36/76/564603676.db2.gz SPYCCAFXJOMUFG-ZDUSSCGKSA-N 1 0 396.329 2.955 20 0 GFADRO COc1cc(Br)c(CN2C[C@@H](SC)[C@@H]([NH+](C)C)C2)cc1OC ZINC000520441983 564604526 /nfs/dbraw/zinc/60/45/26/564604526.db2.gz GCNZOBDDAQQXSZ-XJKSGUPXSA-N 1 0 389.359 2.944 20 0 GFADRO Cc1cc(NC(=O)C[N@@H+]2C[C@H](O)C[C@H]2[C@H]2CCCOC2)ccc1Br ZINC000520508081 564606296 /nfs/dbraw/zinc/60/62/96/564606296.db2.gz JRLYJZNQIVGJFV-LXZKKBNFSA-N 1 0 397.313 2.558 20 0 GFADRO C[NH+](C)CCOC1CCN(C(=O)Cc2ccc(F)c(Br)c2)CC1 ZINC000485117972 564607132 /nfs/dbraw/zinc/60/71/32/564607132.db2.gz PWSHLQMRWSRIFR-UHFFFAOYSA-N 1 0 387.293 2.700 20 0 GFADRO CCCOC[C@@H](Cc1cccc(Br)c1)[NH2+]C[C@@H](C)S(C)(=O)=O ZINC000572715135 564607291 /nfs/dbraw/zinc/60/72/91/564607291.db2.gz QSFKBONYTNIIGU-CZUORRHYSA-N 1 0 392.359 2.810 20 0 GFADRO [NH3+]C[C@H]1CC[C@H](CNC(=O)c2csc(I)c2)CC1 ZINC000572719883 564607547 /nfs/dbraw/zinc/60/75/47/564607547.db2.gz VULRDFYEFWOENK-MGCOHNPYSA-N 1 0 378.279 2.848 20 0 GFADRO C[NH+](C)CCOC1CCN(C(=O)CCOc2ccccc2Br)CC1 ZINC000485119927 564607620 /nfs/dbraw/zinc/60/76/20/564607620.db2.gz VMMJYBXJHFAUDP-UHFFFAOYSA-N 1 0 399.329 2.787 20 0 GFADRO C[C@@H]([NH2+]C[C@H](O)COC[C@@H]1CCCO1)c1ccc(Br)cc1F ZINC000520649964 564608992 /nfs/dbraw/zinc/60/89/92/564608992.db2.gz DFMPGDFXFQJWFH-XBFCOCLRSA-N 1 0 376.266 2.795 20 0 GFADRO CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)c3cccc(Br)c3F)C2)CC1 ZINC000520682953 564610385 /nfs/dbraw/zinc/61/03/85/564610385.db2.gz AUBMHHOVIMJULM-CQSZACIVSA-N 1 0 398.320 2.829 20 0 GFADRO Cc1nc(CNC(=O)NC[C@@H]2CC[N@@H+](C(C)C)C2)sc1Br ZINC000520738844 564612197 /nfs/dbraw/zinc/61/21/97/564612197.db2.gz UNYAIMLLIWXWNU-NSHDSACASA-N 1 0 375.336 2.744 20 0 GFADRO C[N@H+](CC(=O)NCc1nc2ccc(Br)cc2o1)[C@@H]1CCSC1 ZINC000572871262 564613644 /nfs/dbraw/zinc/61/36/44/564613644.db2.gz DEZHMJIMFVMWHL-LLVKDONJSA-N 1 0 384.299 2.644 20 0 GFADRO CN(C)[C@@H](CNS(=O)(=O)c1ccc2c(c1)C(=O)CCC2)c1ccsc1 ZINC000572891610 564614249 /nfs/dbraw/zinc/61/42/49/564614249.db2.gz JKYXLJGMVPLNFM-KRWDZBQOSA-N 1 0 378.519 2.848 20 0 GFADRO COc1cc(C[NH2+]C[C@H](O)CCOC(C)C)cc(Br)c1OC ZINC000572992441 564618122 /nfs/dbraw/zinc/61/81/22/564618122.db2.gz LWNMSZKNIXNXEJ-CYBMUJFWSA-N 1 0 376.291 2.732 20 0 GFADRO O[C@H](CCc1ccccc1)C[NH2+]C[C@H](O)COc1ccccc1Br ZINC000521044214 564618468 /nfs/dbraw/zinc/61/84/68/564618468.db2.gz UAQFGLOGGBOHKI-SJORKVTESA-N 1 0 394.309 2.772 20 0 GFADRO O=S(=O)(c1cccs1)N1CCC[C@@H]([NH2+]CC2Cc3ccccc3C2)C1 ZINC000573028395 564619736 /nfs/dbraw/zinc/61/97/36/564619736.db2.gz BAYSZCUWXRUCBG-GOSISDBHSA-N 1 0 376.547 2.906 20 0 GFADRO C[C@H](CNC(=O)C(=O)NCc1ccc(Cl)cc1Cl)C[NH+]1CCCCC1 ZINC000550303201 564620256 /nfs/dbraw/zinc/62/02/56/564620256.db2.gz SBQXUAIAWJFZDK-CYBMUJFWSA-N 1 0 386.323 2.848 20 0 GFADRO CC[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)NCC[N@H+](C)C1CC1 ZINC000485603250 564621355 /nfs/dbraw/zinc/62/13/55/564621355.db2.gz SZBBICMFOILIPK-CQSZACIVSA-N 1 0 386.323 2.641 20 0 GFADRO Cc1ccc(Br)cc1C(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000485629530 564621382 /nfs/dbraw/zinc/62/13/82/564621382.db2.gz TUXQNXUPRUMUBO-MAUKXSAKSA-N 1 0 394.357 2.856 20 0 GFADRO Cc1cccc2nc(C[NH2+]C[C@H](O)COc3ccc(Br)cc3)cn21 ZINC000521227927 564622891 /nfs/dbraw/zinc/62/28/91/564622891.db2.gz BRXBDLRTRWBPRJ-INIZCTEOSA-N 1 0 390.281 2.935 20 0 GFADRO Cc1cccc2nc(C[NH2+]C[C@@H](O)COc3ccc(Br)cc3)cn21 ZINC000521227928 564622907 /nfs/dbraw/zinc/62/29/07/564622907.db2.gz BRXBDLRTRWBPRJ-MRXNPFEDSA-N 1 0 390.281 2.935 20 0 GFADRO C[C@H]1CCCC[N@@H+]1CCCNS(=O)(=O)c1ccc(OC(F)F)c(F)c1 ZINC000521347800 564624269 /nfs/dbraw/zinc/62/42/69/564624269.db2.gz OKTRHWDGYVBNAX-LBPRGKRZSA-N 1 0 380.432 2.970 20 0 GFADRO O=C(NC1CC[NH+](C2CCC2)CC1)[C@H]1Cc2cc(Br)ccc2O1 ZINC000456680578 564624836 /nfs/dbraw/zinc/62/48/36/564624836.db2.gz FEETUIZCTVEIHQ-QGZVFWFLSA-N 1 0 379.298 2.886 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1cccc(Br)c1Cl ZINC000573151646 564625222 /nfs/dbraw/zinc/62/52/22/564625222.db2.gz MVJWGSNTCRKTGK-JTQLQIEISA-N 1 0 381.723 2.865 20 0 GFADRO Cc1nc2cc(Cl)c(NC(=O)C(=O)NC[C@H](C)[NH+]3CCCC3)cc2s1 ZINC000521387289 564626699 /nfs/dbraw/zinc/62/66/99/564626699.db2.gz WSPUWJMSJAZOLT-JTQLQIEISA-N 1 0 380.901 2.797 20 0 GFADRO C[C@H]([NH3+])[C@H](C)NS(=O)(=O)c1csc(-c2cccc(Br)c2)n1 ZINC000573205822 564628192 /nfs/dbraw/zinc/62/81/92/564628192.db2.gz CPVSTQYDLBMTMW-IUCAKERBSA-N 1 0 390.328 2.587 20 0 GFADRO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NC[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000485859070 564628512 /nfs/dbraw/zinc/62/85/12/564628512.db2.gz LWJDHWDLYDGNAV-JKIFEVAISA-N 1 0 380.330 2.589 20 0 GFADRO CC(C)[NH+](CCCNC(=O)C(=O)NCc1ccc(Br)cc1)C(C)C ZINC000550762010 564630659 /nfs/dbraw/zinc/63/06/59/564630659.db2.gz PDAGWXSIMWHIHH-UHFFFAOYSA-N 1 0 398.345 2.690 20 0 GFADRO CSC[C@@H](O)C[NH2+][C@@H](c1ccc(C)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000521611660 564631513 /nfs/dbraw/zinc/63/15/13/564631513.db2.gz GPQCARMLRXXORH-HKUYNNGSSA-N 1 0 379.547 2.801 20 0 GFADRO O=C(Nc1ccc(Cl)c(Cl)c1)[C@@H]1CCCCN1CCN1CC[NH2+]CC1 ZINC000573325167 564632907 /nfs/dbraw/zinc/63/29/07/564632907.db2.gz WDOVPMDFOVFHEF-KRWDZBQOSA-N 1 0 385.339 2.692 20 0 GFADRO C[C@@H](NC(=O)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1)c1ccc(Br)cc1 ZINC000573343250 564633860 /nfs/dbraw/zinc/63/38/60/564633860.db2.gz JQUIMYAOZLCENC-WQVCFCJDSA-N 1 0 396.329 2.615 20 0 GFADRO COCCOc1ccccc1C[NH2+][C@@H](C)Cn1cc(Br)ccc1=O ZINC000550892837 564634430 /nfs/dbraw/zinc/63/44/30/564634430.db2.gz SMGZOGXBSHJASF-AWEZNQCLSA-N 1 0 395.297 2.814 20 0 GFADRO C[NH+](C)[C@@H]1CCCN(Cc2cn(-c3ccccc3Br)nn2)CC1 ZINC000573375782 564634672 /nfs/dbraw/zinc/63/46/72/564634672.db2.gz UBGWZIURWWSUKA-OAHLLOKOSA-N 1 0 378.318 2.946 20 0 GFADRO COc1ccc(Cl)cc1S(=O)(=O)N1C[C@@H](SC)[C@@H]([NH+]2CCCC2)C1 ZINC000486091512 564638583 /nfs/dbraw/zinc/63/85/83/564638583.db2.gz FZRRTISYEZDDPK-DZGCQCFKSA-N 1 0 390.958 2.549 20 0 GFADRO Cc1cc(Br)cc(NCC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)c1 ZINC000486112664 564639777 /nfs/dbraw/zinc/63/97/77/564639777.db2.gz AVOSSEMBEYCPDC-KRWDZBQOSA-N 1 0 398.345 2.642 20 0 GFADRO COc1cc(OC)c(S(=O)(=O)N2CC3(C[C@@H]2C)CC[NH2+]CC3)cc1Cl ZINC000521993986 564641447 /nfs/dbraw/zinc/64/14/47/564641447.db2.gz JSDLOUBJNIUIIC-LBPRGKRZSA-N 1 0 388.917 2.510 20 0 GFADRO C[N@@H+]1CC[C@@H](C(=O)NCC2(c3ccc(Br)cc3)CCOCC2)C1 ZINC000522144862 564645205 /nfs/dbraw/zinc/64/52/05/564645205.db2.gz SRKJGYZDQWOGLI-CQSZACIVSA-N 1 0 381.314 2.565 20 0 GFADRO CO[C@H]1CCN(C(=O)NCCOc2cccc(Cl)c2Cl)[C@H](C[NH3+])C1 ZINC000573582692 564645337 /nfs/dbraw/zinc/64/53/37/564645337.db2.gz JUUWSZHXVZPZGE-RYUDHWBXSA-N 1 0 376.284 2.520 20 0 GFADRO CS(=O)(=O)[C@H]1CCC[C@@H]([NH2+]Cc2cc(Cl)ccc2N2CCOCC2)C1 ZINC000551302977 564645701 /nfs/dbraw/zinc/64/57/01/564645701.db2.gz ZLSPHFISMIKXCD-SJORKVTESA-N 1 0 386.945 2.622 20 0 GFADRO C[N@@H+]1CCCN(C(=O)NCc2cc(Br)ccc2OC(F)F)CC1 ZINC000522225614 564647947 /nfs/dbraw/zinc/64/79/47/564647947.db2.gz GHHPJBOHQSZZEZ-UHFFFAOYSA-N 1 0 392.244 2.898 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N2CCC[N@@H+](C(C)C)CC2)cc1Br ZINC000486375219 564649469 /nfs/dbraw/zinc/64/94/69/564649469.db2.gz CPAIWZDVTUPHMZ-UHFFFAOYSA-N 1 0 396.329 2.947 20 0 GFADRO COc1ccc(Br)c(CNC(=O)NC[C@H]2CC[N@@H+](C(C)C)C2)c1 ZINC000522325589 564650133 /nfs/dbraw/zinc/65/01/33/564650133.db2.gz PKSLXVZSJGODDX-CYBMUJFWSA-N 1 0 384.318 2.987 20 0 GFADRO CC[N@@H+]1C[C@H](C)N(C(=O)[C@@H]2CC(=O)Nc3ccc(Br)cc32)C[C@@H]1C ZINC000486451714 564652444 /nfs/dbraw/zinc/65/24/44/564652444.db2.gz ORSAYKMIKWWXQE-SLEUVZQESA-N 1 0 394.313 2.816 20 0 GFADRO C[C@@H]([NH3+])C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2Br)CC1 ZINC000573800823 564655426 /nfs/dbraw/zinc/65/54/26/564655426.db2.gz BEYTWIKKAPAPBM-SNVBAGLBSA-N 1 0 395.750 2.992 20 0 GFADRO O=C(NC[C@H]1C[NH2+]CCO1)N[C@H](c1ccc(Br)cc1)C1CCC1 ZINC000573820015 564656358 /nfs/dbraw/zinc/65/63/58/564656358.db2.gz TWAOFTJCGPQZBN-CVEARBPZSA-N 1 0 382.302 2.578 20 0 GFADRO C[C@H](CNC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1)c1c(Cl)cccc1Cl ZINC000522851265 564657283 /nfs/dbraw/zinc/65/72/83/564657283.db2.gz SKRJQEBJDXUJIK-CHWSQXEVSA-N 1 0 386.323 2.623 20 0 GFADRO CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)N1CCC[C@@H]([NH3+])[C@H]1C ZINC000457356225 564657834 /nfs/dbraw/zinc/65/78/34/564657834.db2.gz CLWKVCVOJPZFHM-WQVCFCJDSA-N 1 0 383.945 2.530 20 0 GFADRO [NH3+][C@H]1CN(C(=O)c2cncc(Br)c2)CC[C@@H]1c1ccc(F)cc1 ZINC000457363423 564658627 /nfs/dbraw/zinc/65/86/27/564658627.db2.gz KMVIRBKYRWOWJK-CVEARBPZSA-N 1 0 378.245 2.940 20 0 GFADRO C[N@@H+]1CC[C@@H]2CCN(S(=O)(=O)c3ccc(Br)c(Cl)c3)[C@@H]2C1 ZINC000486654142 564661177 /nfs/dbraw/zinc/66/11/77/564661177.db2.gz GAKKBGLJKAYNCZ-QMTHXVAHSA-N 1 0 393.734 2.817 20 0 GFADRO CC(C)COC[C@@H](O)C[NH2+][C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000573957498 564661657 /nfs/dbraw/zinc/66/16/57/564661657.db2.gz ZALYTHOVCHDBJH-XJKSGUPXSA-N 1 0 375.296 2.722 20 0 GFADRO O=C(c1cc([C@H]2CC[NH2+]C2)n[nH]1)N1CCc2c(Br)ccc(F)c2C1 ZINC000573962637 564662058 /nfs/dbraw/zinc/66/20/58/564662058.db2.gz GDNWFHBPEOXMFY-JTQLQIEISA-N 1 0 393.260 2.587 20 0 GFADRO C[N@@H+]1CC[C@@H]2CCN(c3ncnc4ccc(I)cc43)[C@@H]2C1 ZINC000486680169 564662122 /nfs/dbraw/zinc/66/21/22/564662122.db2.gz BMKLJVHTKANSMJ-IAQYHMDHSA-N 1 0 394.260 2.765 20 0 GFADRO COCCN(CC(F)(F)F)C(=O)c1ccc(C[NH+]2CCSCC2)cc1 ZINC000523380400 564665844 /nfs/dbraw/zinc/66/58/44/564665844.db2.gz JOPXCFDQMHDKTO-UHFFFAOYSA-N 1 0 376.444 2.886 20 0 GFADRO [NH3+]CC1CCN(C(=O)Nc2ccc(-c3ccc(Br)s3)nn2)CC1 ZINC000574055478 564666395 /nfs/dbraw/zinc/66/63/95/564666395.db2.gz NYHMZCJIBNNRBL-UHFFFAOYSA-N 1 0 396.314 3.170 20 0 GFADRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+]Cc1ccnc(-c2ccc(Br)cc2)n1 ZINC000551898671 564666859 /nfs/dbraw/zinc/66/68/59/564666859.db2.gz HJPUWPLCYBBOSZ-HZPDHXFCSA-N 1 0 389.297 2.910 20 0 GFADRO C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)NCc1n[nH]cc1Br ZINC000523432705 564667454 /nfs/dbraw/zinc/66/74/54/564667454.db2.gz XPYBYUCRQDCVBE-UHFFFAOYSA-N 1 0 398.280 2.585 20 0 GFADRO CC[NH+](CC)[C@H](C)CNC(=O)NCc1nc2c(cccc2Br)[nH]1 ZINC000457711953 564669833 /nfs/dbraw/zinc/66/98/33/564669833.db2.gz PLUAFFIOCAPMFK-LLVKDONJSA-N 1 0 382.306 2.855 20 0 GFADRO C[C@H](Sc1ccc(Cl)cc1)C(=O)N1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000574392331 564671916 /nfs/dbraw/zinc/67/19/16/564671916.db2.gz OUOTXFYNXCTZIR-WFASDCNBSA-N 1 0 379.917 2.735 20 0 GFADRO OCC[C@H]([NH2+]C[C@H](O)COC[C@@H]1CCCO1)c1ccc(Cl)c(Cl)c1 ZINC000552006369 564673296 /nfs/dbraw/zinc/67/32/96/564673296.db2.gz LXCLPGYEIYBQAG-ZQIUZPCESA-N 1 0 378.296 2.563 20 0 GFADRO COc1ccc(Br)c(CNC(=O)N2CC[N@H+](C)[C@H](C(C)C)C2)c1 ZINC000487056833 564673533 /nfs/dbraw/zinc/67/35/33/564673533.db2.gz JHOZPLWIEKZOFX-INIZCTEOSA-N 1 0 384.318 2.939 20 0 GFADRO CC[NH+]1CCN(CC(C)(C)NC(=O)c2sc(C)cc2Br)CC1 ZINC000457838210 564675132 /nfs/dbraw/zinc/67/51/32/564675132.db2.gz BBRZMPXMHBMJAK-UHFFFAOYSA-N 1 0 388.375 2.965 20 0 GFADRO CCSc1cccc(C[N@H+](C)CCOc2ccc(S(N)(=O)=O)cc2)c1 ZINC000552071482 564675254 /nfs/dbraw/zinc/67/52/54/564675254.db2.gz IWXRZTPLGIMWDS-UHFFFAOYSA-N 1 0 380.535 2.957 20 0 GFADRO C[NH+](C)C[C@@H](O)COc1ccc(NC(=O)COc2ccsc2Cl)cc1 ZINC000552093391 564676783 /nfs/dbraw/zinc/67/67/83/564676783.db2.gz HJEXEJDPFFZSME-CYBMUJFWSA-N 1 0 384.885 2.720 20 0 GFADRO Cn1nccc1C1=CC[N@H+](C[C@H](O)COc2ccc(Br)cc2)CC1 ZINC000552123633 564677967 /nfs/dbraw/zinc/67/79/67/564677967.db2.gz SRYHXUFZPORRKQ-INIZCTEOSA-N 1 0 392.297 2.712 20 0 GFADRO C[C@@H]1[NH2+]CC[C@H]1C(=O)NCc1cc(Cl)cc(I)c1 ZINC000574568824 564679658 /nfs/dbraw/zinc/67/96/58/564679658.db2.gz DNJAVKUBNIKLSE-QPUJVOFHSA-N 1 0 378.641 2.559 20 0 GFADRO C[N@H+](CC(=O)N1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1)[C@H]1CCSC1 ZINC000457953618 564680518 /nfs/dbraw/zinc/68/05/18/564680518.db2.gz ZCIVVXGDNNIRGR-UONOGXRCSA-N 1 0 380.476 2.631 20 0 GFADRO Cn1ncc(Br)c1CNc1ccc(NC(=O)CC[NH+](C)C)cc1 ZINC000487261751 564680833 /nfs/dbraw/zinc/68/08/33/564680833.db2.gz JIOKQKLSJVHIMF-UHFFFAOYSA-N 1 0 380.290 2.685 20 0 GFADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H](C)Oc1cc(Cl)cc(Cl)c1 ZINC000524351427 564681319 /nfs/dbraw/zinc/68/13/19/564681319.db2.gz ZZPDMZJUEIDQDV-DOMZBBRYSA-N 1 0 375.296 2.988 20 0 GFADRO COc1cccc(N2CCC[C@H]([NH2+]Cc3c(Br)cnn3C)C2)c1 ZINC000487295315 564681465 /nfs/dbraw/zinc/68/14/65/564681465.db2.gz CYSUUNJWWPRHTC-ZDUSSCGKSA-N 1 0 379.302 2.950 20 0 GFADRO CN(C(=O)C1=Cc2cc(Br)ccc2OC1)[C@@H]1C[NH+]2CCC1CC2 ZINC000524695257 564685189 /nfs/dbraw/zinc/68/51/89/564685189.db2.gz YHCFKIRFMJMBTQ-MRXNPFEDSA-N 1 0 377.282 2.778 20 0 GFADRO Cc1ccc(Br)c(S(=O)(=O)NCC[NH2+][C@H]2CCC2(C)C)c1 ZINC000552319191 564686124 /nfs/dbraw/zinc/68/61/24/564686124.db2.gz GTFDKDDYKFTFLG-AWEZNQCLSA-N 1 0 375.332 2.814 20 0 GFADRO C[C@H](CNC(=O)N(CCO)Cc1cccc(Br)c1)C[NH+]1CCCC1 ZINC000487397718 564686126 /nfs/dbraw/zinc/68/61/26/564686126.db2.gz OUAOZTKSNOYVMH-OAHLLOKOSA-N 1 0 398.345 2.685 20 0 GFADRO C[C@H]([NH2+]C[C@@H]1CCCCN1S(C)(=O)=O)c1ccc(F)cc1OC(F)F ZINC000552333858 564686347 /nfs/dbraw/zinc/68/63/47/564686347.db2.gz QRKOVSOTPJIRIE-AAEUAGOBSA-N 1 0 380.432 2.892 20 0 GFADRO CCO[C@H](CC[NH+](C)C)CNC(=O)c1cc(Br)c(C)cc1OC ZINC000552327858 564686479 /nfs/dbraw/zinc/68/64/79/564686479.db2.gz HUXITRPPPJBLHD-CYBMUJFWSA-N 1 0 387.318 2.853 20 0 GFADRO C[N@@H+]1CCC[C@]2(CCN(C(=O)NCCOc3ccc(Br)cc3)C2)C1 ZINC000458077419 564686770 /nfs/dbraw/zinc/68/67/70/564686770.db2.gz IGLPDTCXCPBBFI-SFHVURJKSA-N 1 0 396.329 2.955 20 0 GFADRO COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+][C@H](C)C1(S(C)(=O)=O)CC1 ZINC000552338960 564686834 /nfs/dbraw/zinc/68/68/34/564686834.db2.gz UUAKATHLOPJSTL-VXGBXAGGSA-N 1 0 388.917 2.621 20 0 GFADRO C[C@H]1C[C@@H](NC(=O)N(CCO)Cc2cccc(Br)c2)C[N@@H+]1C1CC1 ZINC000487440301 564687865 /nfs/dbraw/zinc/68/78/65/564687865.db2.gz MEBZRKCODKKUKK-XJKSGUPXSA-N 1 0 396.329 2.578 20 0 GFADRO C[C@@H]1[C@H](C)[N@H+](C)CCN1c1ncnc2ccc(I)cc21 ZINC000552394424 564689719 /nfs/dbraw/zinc/68/97/19/564689719.db2.gz PRMABSHLVKIMPQ-WDEREUQCSA-N 1 0 382.249 2.763 20 0 GFADRO C[C@@H]1CN(C(=O)c2cscc2Br)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000552404973 564690042 /nfs/dbraw/zinc/69/00/42/564690042.db2.gz UOMGJWBBAFTVCJ-IUODEOHRSA-N 1 0 386.359 2.609 20 0 GFADRO OC[C@]1([C@@H]([NH2+]Cc2cc(Br)c3c(c2)OCCO3)C2CC2)CCCO1 ZINC000552425431 564690287 /nfs/dbraw/zinc/69/02/87/564690287.db2.gz ULYFQGBPDVFVOB-ROUUACIJSA-N 1 0 398.297 2.630 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)c2cc3cc(Br)ccc3[nH]2)CC12CCOCC2 ZINC000574998286 564690458 /nfs/dbraw/zinc/69/04/58/564690458.db2.gz SAJQPPCFHDQXPD-ZDUSSCGKSA-N 1 0 392.297 2.758 20 0 GFADRO CSC1(CNC(=O)c2sc([C@@H]3CCCOC3)nc2C)CC[NH+](C)CC1 ZINC000552466307 564692373 /nfs/dbraw/zinc/69/23/73/564692373.db2.gz AADFJVWDJLCUGU-CQSZACIVSA-N 1 0 383.583 2.903 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)C[N@@H+](C)[C@H](C)C1CC1 ZINC000552494191 564693200 /nfs/dbraw/zinc/69/32/00/564693200.db2.gz ZKAJXXDUKSWPCL-CYBMUJFWSA-N 1 0 396.329 2.885 20 0 GFADRO CN(C(=O)[C@@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1)[C@H]1CCC[N@H+](C)C1 ZINC000525522357 564702884 /nfs/dbraw/zinc/70/28/84/564702884.db2.gz CEIMAUPROYXTSK-DOMZBBRYSA-N 1 0 384.307 2.899 20 0 GFADRO C[C@@H](Cc1ccccc1Br)NC(=O)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000458553049 564705987 /nfs/dbraw/zinc/70/59/87/564705987.db2.gz WZVKOQPGIWSDBM-HOCLYGCPSA-N 1 0 398.345 2.526 20 0 GFADRO CC[C@H](NC(=O)N[C@@H]1CCN(C)[C@H]1c1ccc(Cl)cc1)[C@H](O)C(F)F ZINC000458595460 564707312 /nfs/dbraw/zinc/70/73/12/564707312.db2.gz RMLNWPYUIIEPFD-XGUBFFRZSA-N 1 0 375.847 2.789 20 0 GFADRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1ccccc1I ZINC000553100675 564709829 /nfs/dbraw/zinc/70/98/29/564709829.db2.gz SYVJKCJYHUFFQK-STQMWFEESA-N 1 0 384.261 2.990 20 0 GFADRO CC[C@@H](NC(=O)NCCc1cn2cc(Br)cc(C)c2n1)[C@@H](O)CC ZINC000458652380 564709954 /nfs/dbraw/zinc/70/99/54/564709954.db2.gz HUBSNOGANKUNGS-CABCVRRESA-N 1 0 397.317 2.796 20 0 GFADRO CC[NH+]1CCC(CNC(=O)C(=O)Nc2c(C)cc(Br)cc2C)CC1 ZINC000576262245 564710121 /nfs/dbraw/zinc/71/01/21/564710121.db2.gz ZCBAERCOHMGLTL-UHFFFAOYSA-N 1 0 396.329 2.853 20 0 GFADRO COc1ccc([C@H](CNc2ccncc2Br)[NH+](C)C)cc1OC ZINC000553249698 564713865 /nfs/dbraw/zinc/71/38/65/564713865.db2.gz UWIDFVXCUFLNOD-HNNXBMFYSA-N 1 0 380.286 2.998 20 0 GFADRO CO[C@H]1C[NH+](Cc2cn(-c3ccc(Br)cc3)nc2C)C[C@@H]1OC ZINC000488542358 564713931 /nfs/dbraw/zinc/71/39/31/564713931.db2.gz ZHZIOGSYWDLMDD-IRXDYDNUSA-N 1 0 380.286 2.789 20 0 GFADRO COc1cccc(OC(F)(F)F)c1CNC(=O)C[N@H+](C)[C@H]1CCSC1 ZINC000553241796 564714031 /nfs/dbraw/zinc/71/40/31/564714031.db2.gz UHGLLFFLSIEMED-NSHDSACASA-N 1 0 378.416 2.647 20 0 GFADRO CC[C@H](C)[NH2+][C@H](CNC(=O)NCc1nn(C)cc1Br)c1ccco1 ZINC000458774872 564717683 /nfs/dbraw/zinc/71/76/83/564717683.db2.gz QSWIXOUFTZADBD-SMDDNHRTSA-N 1 0 398.305 2.704 20 0 GFADRO Cn1cc2c(n1)CCC[C@@H]2[NH2+]CCS(=O)(=O)c1cccc(Br)c1 ZINC000576745930 564718475 /nfs/dbraw/zinc/71/84/75/564718475.db2.gz DEJZDCGHVHTFEK-HNNXBMFYSA-N 1 0 398.326 2.624 20 0 GFADRO O=S(=O)(NCC[NH2+]Cc1cc(O)cc(C(F)(F)F)c1)c1cccs1 ZINC000576792981 564718768 /nfs/dbraw/zinc/71/87/68/564718768.db2.gz RCURQYDNUVLRAA-UHFFFAOYSA-N 1 0 380.413 2.541 20 0 GFADRO C[C@H](NC(=O)NCc1nn(C)cc1Br)[C@H](c1ccccc1)[NH+](C)C ZINC000458789218 564718920 /nfs/dbraw/zinc/71/89/20/564718920.db2.gz YMPISIYKQPPYRR-BLLLJJGKSA-N 1 0 394.317 2.673 20 0 GFADRO C[C@H](C[N@@H+]1CCC[C@H](S(=O)(=O)N2CCOCC2)C1)c1cccc(Cl)c1 ZINC000526113119 564720860 /nfs/dbraw/zinc/72/08/60/564720860.db2.gz KIZDKZUXFGRKGD-QAPCUYQASA-N 1 0 386.945 2.570 20 0 GFADRO CC[C@H](O)C[NH2+]C[C@@H]1CCCN1Cc1ccc(I)cc1 ZINC000576936610 564721643 /nfs/dbraw/zinc/72/16/43/564721643.db2.gz NDYMMGPGUPGRKY-HOTGVXAUSA-N 1 0 388.293 2.616 20 0 GFADRO Cc1cc(S(=O)(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)ccc1Br ZINC000576989452 564722292 /nfs/dbraw/zinc/72/22/92/564722292.db2.gz GVMIJWYVWLPAMR-KGLIPLIRSA-N 1 0 387.343 2.768 20 0 GFADRO CS(=O)(=O)C1CCC([NH2+]C[C@@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000577099109 564724578 /nfs/dbraw/zinc/72/45/78/564724578.db2.gz WKDLWVCSTLDSGW-ROKHWSDSSA-N 1 0 396.336 2.679 20 0 GFADRO COC(=O)C(C)(C)CCN(CCO)Cc1cc(Br)ccc1F ZINC000526971215 564724722 /nfs/dbraw/zinc/72/47/22/564724722.db2.gz YGTSJGDVGLOMLQ-UHFFFAOYSA-N 1 0 376.266 2.972 20 0 GFADRO CC(C)C[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2cccnc2C(F)(F)F)C1 ZINC000553534938 564724958 /nfs/dbraw/zinc/72/49/58/564724958.db2.gz SGOAETNDCBCNSF-ZDUSSCGKSA-N 1 0 379.448 2.747 20 0 GFADRO Cc1nc(CNC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)sc1Br ZINC000458935211 564725005 /nfs/dbraw/zinc/72/50/05/564725005.db2.gz VJEBZJWRNFMQGZ-GFCCVEGCSA-N 1 0 387.347 2.841 20 0 GFADRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NS(=O)(=O)Cc1ccccc1Br ZINC000553543384 564726079 /nfs/dbraw/zinc/72/60/79/564726079.db2.gz WXOYNUYCMCTNEY-ZIAGYGMSSA-N 1 0 389.359 2.989 20 0 GFADRO C[C@@]1(CNC(=O)c2cnn(-c3cccc(Br)c3)c2)CCC[NH2+]C1 ZINC000577171471 564726978 /nfs/dbraw/zinc/72/69/78/564726978.db2.gz OISJLGDGVZPTBK-QGZVFWFLSA-N 1 0 377.286 2.754 20 0 GFADRO O=C(Cc1ccc(I)cc1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000489082845 564727898 /nfs/dbraw/zinc/72/78/98/564727898.db2.gz XRRDHIZCJXHPKG-INIZCTEOSA-N 1 0 398.288 2.921 20 0 GFADRO C[C@@H](CNC(=O)N1CCC[C@H](Nc2cccc(Br)c2)C1)[NH+](C)C ZINC000459042156 564729311 /nfs/dbraw/zinc/72/93/11/564729311.db2.gz OUMHCWAJBZEZQD-BBRMVZONSA-N 1 0 383.334 2.985 20 0 GFADRO C[C@@H](CNC(=O)N1CCN([C@@H](C)c2ccc(Br)cc2)CC1)[NH+](C)C ZINC000459049119 564730150 /nfs/dbraw/zinc/73/01/50/564730150.db2.gz YONZOVQSBKSCSS-GJZGRUSLSA-N 1 0 397.361 2.787 20 0 GFADRO CC[C@H](C)[NH+]1CCN(C(=O)NCc2nc3c(cccc3Br)[nH]2)CC1 ZINC000459128514 564732804 /nfs/dbraw/zinc/73/28/04/564732804.db2.gz DILNUSRNBUTFOR-LBPRGKRZSA-N 1 0 394.317 2.951 20 0 GFADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)NCc1ccncn1 ZINC000459150556 564732860 /nfs/dbraw/zinc/73/28/60/564732860.db2.gz NTMVCPDZOCZBOB-UHFFFAOYSA-N 1 0 392.301 2.513 20 0 GFADRO CCn1ccnc1C[NH2+]C[C@@H](CO)Cc1cc(Br)ccc1OC ZINC000577339705 564734104 /nfs/dbraw/zinc/73/41/04/564734104.db2.gz BBAUGBHZXSUGOO-ZDUSSCGKSA-N 1 0 382.302 2.615 20 0 GFADRO Cc1cc(CNC(=O)NCC2(O)CC[NH+](C(C)C)CC2)ccc1Br ZINC000459189903 564735021 /nfs/dbraw/zinc/73/50/21/564735021.db2.gz WYMVTGPZQDNLBO-UHFFFAOYSA-N 1 0 398.345 2.792 20 0 GFADRO C[C@@H]1C[C@H](N(C)C(=O)NCc2nc3c(cccc3Br)[nH]2)CC[N@@H+]1C ZINC000459193834 564735660 /nfs/dbraw/zinc/73/56/60/564735660.db2.gz FXDTWKGFVQDMOD-VXGBXAGGSA-N 1 0 394.317 2.950 20 0 GFADRO C[C@@H]1C[C@@H]1[N@@H+]1CCN(C(=O)c2cc(Br)cnc2N(C)C)C[C@@H](C)C1 ZINC000553781859 564735817 /nfs/dbraw/zinc/73/58/17/564735817.db2.gz GRJJHOCJMMKRKL-ZENOOKHLSA-N 1 0 395.345 2.712 20 0 GFADRO O=C(C1CC[NH+]([C@H]2CCSC2)CC1)N1CCSC[C@H]1c1nccs1 ZINC000577529895 564736611 /nfs/dbraw/zinc/73/66/11/564736611.db2.gz ZZTHDEMGKUKALW-GJZGRUSLSA-N 1 0 383.608 2.977 20 0 GFADRO CCn1nncc1CN1CCN(Cc2ccc(Br)c(F)c2)CC1 ZINC000459375390 564741308 /nfs/dbraw/zinc/74/13/08/564741308.db2.gz VMVJRRGTABAOBH-UHFFFAOYSA-N 1 0 382.281 2.517 20 0 GFADRO CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+]CCn2cc(Cl)cn2)cc1 ZINC000459343535 564741333 /nfs/dbraw/zinc/74/13/33/564741333.db2.gz GFIFEZAYRXVZKF-AWEZNQCLSA-N 1 0 384.933 2.918 20 0 GFADRO COCC[N@H+](C[C@H](O)COc1ccc(Cl)cc1Cl)[C@H]1CCO[C@@H]1C ZINC000489493839 564741816 /nfs/dbraw/zinc/74/18/16/564741816.db2.gz GJBIMFISCLAVLA-INWMFGNUSA-N 1 0 378.296 2.859 20 0 GFADRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)NCCn1cc(Br)cn1 ZINC000553881429 564742339 /nfs/dbraw/zinc/74/23/39/564742339.db2.gz HBVMGWYCXCDXGN-OAHLLOKOSA-N 1 0 386.338 2.599 20 0 GFADRO CCOC(=O)c1cc(Cl)cc(S(=O)(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)c1 ZINC000489544661 564743015 /nfs/dbraw/zinc/74/30/15/564743015.db2.gz CWBAPCNJMYVQBP-LSDHHAIUSA-N 1 0 388.917 2.668 20 0 GFADRO CC(C)[C@@](C)([NH2+]CCN1C(=O)N[C@H](C)C1=O)c1ccc(Br)cc1 ZINC000459426075 564743543 /nfs/dbraw/zinc/74/35/43/564743543.db2.gz IARMXOGEUASNPJ-SJKOYZFVSA-N 1 0 382.302 2.850 20 0 GFADRO Cn1cc([C@@H]2CN(C(=O)Nc3ccc(Cl)c(Br)c3)C[C@H]2[NH3+])cn1 ZINC000579344297 564747306 /nfs/dbraw/zinc/74/73/06/564747306.db2.gz XXDFJSNZEOECQM-SMDDNHRTSA-N 1 0 398.692 2.795 20 0 GFADRO Cc1cc(CC(C)(C)[NH2+]CCN2C(=O)N[C@H](C)C2=O)ccc1Br ZINC000459492959 564747384 /nfs/dbraw/zinc/74/73/84/564747384.db2.gz OISQBBIXGJXMLU-GFCCVEGCSA-N 1 0 382.302 2.609 20 0 GFADRO O=C(NCCC1=CC[NH2+]CC1)N1CCc2ccc(F)c(Br)c2C1 ZINC000527595886 564748506 /nfs/dbraw/zinc/74/85/06/564748506.db2.gz XIRUOROTVYVSDK-UHFFFAOYSA-N 1 0 382.277 2.966 20 0 GFADRO O=C(NCC(F)(F)F)[C@@H]1CC[N@@H+](Cc2cccc(O)c2Br)C1 ZINC000459507586 564748615 /nfs/dbraw/zinc/74/86/15/564748615.db2.gz WGANORDCPVICRP-SNVBAGLBSA-N 1 0 381.192 2.655 20 0 GFADRO O=C([C@H]1C[NH2+]CCC1(F)F)N1CCc2ccc(F)c(Br)c2C1 ZINC000527616625 564750024 /nfs/dbraw/zinc/75/00/24/564750024.db2.gz IYGYLAKDAKYQMT-LLVKDONJSA-N 1 0 377.204 2.718 20 0 GFADRO C[C@@H]([NH2+][C@@H]1CCCN(S(=O)(=O)N(C)C)C1)c1ccc(Cl)cc1Cl ZINC000554090421 564749994 /nfs/dbraw/zinc/74/99/94/564749994.db2.gz QPVFSSOPDABQKK-DGCLKSJQSA-N 1 0 380.341 2.915 20 0 GFADRO CON1CCC([N@H+](C)CCC(=O)Nc2ccc(Br)cc2F)CC1 ZINC000459591941 564752244 /nfs/dbraw/zinc/75/22/44/564752244.db2.gz UCHMCWIZEBHXLF-UHFFFAOYSA-N 1 0 388.281 2.874 20 0 GFADRO C[C@@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)C[C@@H](O)Cc1cccc(Cl)c1 ZINC000554222539 564753881 /nfs/dbraw/zinc/75/38/81/564753881.db2.gz NJMMBWGKMWLQNE-GUYCJALGSA-N 1 0 382.913 2.584 20 0 GFADRO O=C1C[C@H]([NH2+]Cc2c[nH]nc2-c2ccc(Br)s2)CN1C1CC1 ZINC000527670488 564754341 /nfs/dbraw/zinc/75/43/41/564754341.db2.gz NZKREKZOWCGVAK-JTQLQIEISA-N 1 0 381.299 2.754 20 0 GFADRO COc1cc(C[NH2+]C[C@H]2CCC[C@@H]2NS(C)(=O)=O)cc(C(F)(F)F)c1 ZINC000527677111 564755567 /nfs/dbraw/zinc/75/55/67/564755567.db2.gz YBQCLXPXIUNYJD-DOMZBBRYSA-N 1 0 380.432 2.522 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]CCOCC1CCC1 ZINC000580396232 564756398 /nfs/dbraw/zinc/75/63/98/564756398.db2.gz XYXXIXDXWYZBSY-ZDUSSCGKSA-N 1 0 399.329 2.869 20 0 GFADRO NC(=O)CN1CCc2ccc(NCc3ccsc3Br)cc2C1 ZINC000527699784 564756501 /nfs/dbraw/zinc/75/65/01/564756501.db2.gz GJWQTEDRRMRUAE-UHFFFAOYSA-N 1 0 380.311 2.966 20 0 GFADRO CNC(=O)[C@H](CCSC)[NH2+][C@@H](C)Cc1ccc(Br)c(F)c1 ZINC000489911255 564757402 /nfs/dbraw/zinc/75/74/02/564757402.db2.gz ZFVLDBBVHXJTPJ-HZMBPMFUSA-N 1 0 377.323 2.977 20 0 GFADRO CNC(=O)[C@H](CCSC)[NH2+][C@H](C)CC(=O)N(C)Cc1ccccc1Cl ZINC000489935608 564758380 /nfs/dbraw/zinc/75/83/80/564758380.db2.gz PCRCYPIPLMPFOS-CJNGLKHVSA-N 1 0 385.961 2.534 20 0 GFADRO CNC(=O)[C@H](CCSC)[NH2+][C@@H](C)Cc1ccc(Br)cc1F ZINC000489940450 564758638 /nfs/dbraw/zinc/75/86/38/564758638.db2.gz HQCWQVCEMDLZAN-HZMBPMFUSA-N 1 0 377.323 2.977 20 0 GFADRO FC(F)(F)c1cc(Br)cc(CN2CCN([C@@H]3CC[NH2+]C3)CC2)c1 ZINC000489982133 564759404 /nfs/dbraw/zinc/75/94/04/564759404.db2.gz XFSPLXNSYWNCHE-OAHLLOKOSA-N 1 0 392.263 2.947 20 0 GFADRO CO[C@H]1C[C@H]([NH2+]CCS(=O)(=O)c2cccc(Br)c2)C12CCC2 ZINC000459738123 564759957 /nfs/dbraw/zinc/75/99/57/564759957.db2.gz AAMAGNQZCAFTPU-GJZGRUSLSA-N 1 0 388.327 2.770 20 0 GFADRO CO[C@@H]1C[C@H]([NH2+]CCS(=O)(=O)c2cccc(Br)c2)C12CCC2 ZINC000459738130 564759992 /nfs/dbraw/zinc/75/99/92/564759992.db2.gz AAMAGNQZCAFTPU-LSDHHAIUSA-N 1 0 388.327 2.770 20 0 GFADRO COc1ccc(CN2CC[C@H]2C[NH2+]Cc2c(Br)c(C)nn2C)cc1 ZINC000527776024 564760489 /nfs/dbraw/zinc/76/04/89/564760489.db2.gz XMYHWNYJPDRRMM-HNNXBMFYSA-N 1 0 393.329 2.864 20 0 GFADRO C[NH+](C)CCNC(=O)c1ccc(NCc2ccc(Br)cn2)cc1 ZINC000527762291 564760753 /nfs/dbraw/zinc/76/07/53/564760753.db2.gz IBOKDQJEHHFTRB-UHFFFAOYSA-N 1 0 377.286 2.748 20 0 GFADRO CO[C@@H]1C[C@@H]([NH2+]C[C@H](O)COc2cc(F)cc(Br)c2)C12CCC2 ZINC000459772153 564761090 /nfs/dbraw/zinc/76/10/90/564761090.db2.gz SAFAAIDNKZYDRC-NUEKZKHPSA-N 1 0 388.277 2.875 20 0 GFADRO CC[C@@H]1OCC[C@H]1[NH2+][C@H](C)C(=O)Nc1cccc(I)c1 ZINC000459784131 564761206 /nfs/dbraw/zinc/76/12/06/564761206.db2.gz WOUFGQXQNBWLKR-HONMWMINSA-N 1 0 388.249 2.775 20 0 GFADRO C[C@@]1(n2cc(C[NH2+]C[C@H]3CCCCC(F)(F)C3)cn2)CCS(=O)(=O)C1 ZINC000580511476 564761323 /nfs/dbraw/zinc/76/13/23/564761323.db2.gz WQSNFQAUENASOJ-GOEBONIOSA-N 1 0 375.485 2.722 20 0 GFADRO O=C(NCC[N@@H+]1CCCOCC1)Nc1nc2c(cccc2Br)s1 ZINC000554483099 564761935 /nfs/dbraw/zinc/76/19/35/564761935.db2.gz YIAWBGMIHBYRRJ-UHFFFAOYSA-N 1 0 399.314 2.903 20 0 GFADRO C[C@@H]([NH2+]C[C@H](n1cccn1)C(F)(F)F)c1ccc(NS(C)(=O)=O)cc1 ZINC000527929512 564765365 /nfs/dbraw/zinc/76/53/65/564765365.db2.gz DCOWUWVPMWRRJL-RISCZKNCSA-N 1 0 376.404 2.709 20 0 GFADRO COc1cc(Br)ccc1CNC(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000490196072 564765582 /nfs/dbraw/zinc/76/55/82/564765582.db2.gz XTXDHWSRKRUNNE-QGZVFWFLSA-N 1 0 382.302 2.695 20 0 GFADRO C[NH2+]C[C@@H](C)C(=O)N(CCn1ccnc1)Cc1ccccc1Br ZINC000580643495 564767644 /nfs/dbraw/zinc/76/76/44/564767644.db2.gz DLEAJGVSELZDCK-CQSZACIVSA-N 1 0 379.302 2.530 20 0 GFADRO CC(C)[C@H]1C[NH2+]CCN1S(=O)(=O)c1c(Cl)cccc1Br ZINC000528047550 564767933 /nfs/dbraw/zinc/76/79/33/564767933.db2.gz FXTOLSKOEUTYIS-GFCCVEGCSA-N 1 0 381.723 2.721 20 0 GFADRO COC(=O)c1ccc(C[NH2+]CC(=O)Nc2ccc(Br)cc2C)[nH]1 ZINC000554625062 564768396 /nfs/dbraw/zinc/76/83/96/564768396.db2.gz YUKJLNGWPZNKNR-UHFFFAOYSA-N 1 0 380.242 2.601 20 0 GFADRO C[N@@H+]1CCC[C@@H]1CNC(=O)CSc1nnc(-c2cccs2)n1C1CC1 ZINC000490395538 564769887 /nfs/dbraw/zinc/76/98/87/564769887.db2.gz ADFWNZWRJQMKPS-CYBMUJFWSA-N 1 0 377.539 2.644 20 0 GFADRO C[C@@H]1CN(S(=O)(=O)c2ccccc2Br)CC[N@@H+](C2CCC2)C1 ZINC000490446566 564771470 /nfs/dbraw/zinc/77/14/70/564771470.db2.gz QGKQRDUIUWXKPJ-ZDUSSCGKSA-N 1 0 387.343 2.944 20 0 GFADRO CCC(CC)(CCO)[NH2+]CCS(=O)(=O)c1ccc(Br)cc1 ZINC000554854536 564775321 /nfs/dbraw/zinc/77/53/21/564775321.db2.gz YHFQWPGQHZDYBY-UHFFFAOYSA-N 1 0 378.332 2.754 20 0 GFADRO COc1ccc(Br)cc1C(=O)N1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000580827946 564775473 /nfs/dbraw/zinc/77/54/73/564775473.db2.gz JCYMCOHWPCZMJO-DOTOQJQBSA-N 1 0 397.313 2.816 20 0 GFADRO Cn1c(SCC(=O)N2CCC[C@@H]([NH+](C)C)CC2)nnc1-c1cccs1 ZINC000580926834 564779224 /nfs/dbraw/zinc/77/92/24/564779224.db2.gz PBVXHKQGASCDCT-CYBMUJFWSA-N 1 0 379.555 2.578 20 0 GFADRO CS(=O)(=O)[C@@H]1CCC[C@@H]([NH2+]Cc2cn3ccc(Br)cc3n2)C1 ZINC000554972290 564779832 /nfs/dbraw/zinc/77/98/32/564779832.db2.gz IWJGEUYSTDLVHI-TZMCWYRMSA-N 1 0 386.315 2.542 20 0 GFADRO Cc1cc(Br)cn2cc(CNC(=O)N[C@@H](C)C[N@H+](C)C(C)C)nc12 ZINC000580985263 564781929 /nfs/dbraw/zinc/78/19/29/564781929.db2.gz VSLMMGOTNVPWDB-ZDUSSCGKSA-N 1 0 396.333 2.933 20 0 GFADRO O=C(CNC(=O)c1ccsc1)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000490836287 564782188 /nfs/dbraw/zinc/78/21/88/564782188.db2.gz WSMUMECPNKYPPN-UHFFFAOYSA-N 1 0 377.535 2.568 20 0 GFADRO C[N@@H+]1CCCC[C@@H]1CCC(=O)NCC(=O)Nc1ccc(Br)cc1 ZINC000581063452 564785730 /nfs/dbraw/zinc/78/57/30/564785730.db2.gz HAFMLOKETKUQIP-OAHLLOKOSA-N 1 0 382.302 2.768 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)[C@@H](c2ccc(Br)cc2)N2CCCC2)CC[NH2+]1 ZINC000581071034 564786977 /nfs/dbraw/zinc/78/69/77/564786977.db2.gz JICKCEBGSUZKOJ-XOKHGSTOSA-N 1 0 380.330 2.843 20 0 GFADRO O=C(CC[NH2+]C[C@H](O)COc1ccc(Br)cc1)N1CCCCCC1 ZINC000581246485 564794052 /nfs/dbraw/zinc/79/40/52/564794052.db2.gz XQQPSKSGXAOBIQ-INIZCTEOSA-N 1 0 399.329 2.571 20 0 GFADRO OCC[C@@H]([NH2+]CC1=Cc2cc(Br)ccc2OC1)C1CCOCC1 ZINC000461409405 564796020 /nfs/dbraw/zinc/79/60/20/564796020.db2.gz XAHDKSXDAFHLFY-QGZVFWFLSA-N 1 0 382.298 2.992 20 0 GFADRO OC[C@@]1([NH2+]Cc2nc3cc(Br)ccc3[nH]2)COc2ccccc2C1 ZINC000528644700 564798666 /nfs/dbraw/zinc/79/86/66/564798666.db2.gz KUIAECRWTNCVRJ-GOSISDBHSA-N 1 0 388.265 2.781 20 0 GFADRO CSCc1cnc(C[NH2+]C2CCN(S(=O)(=O)CC(C)C)CC2)s1 ZINC000555577363 564798700 /nfs/dbraw/zinc/79/87/00/564798700.db2.gz BFVXSGKAXGPWQB-UHFFFAOYSA-N 1 0 377.601 2.546 20 0 GFADRO C[NH+](C)C1(CNC(=O)c2cc(O)cc(Br)c2)Cc2ccccc2C1 ZINC000528651337 564798876 /nfs/dbraw/zinc/79/88/76/564798876.db2.gz GBRWIIFLVDCPKY-UHFFFAOYSA-N 1 0 389.293 2.984 20 0 GFADRO C[N@@H+]1CCC[C@]2(CCN([C@H](C(N)=O)c3ccc(Br)cc3F)C2)C1 ZINC000555597547 564798928 /nfs/dbraw/zinc/79/89/28/564798928.db2.gz JVPRWBSQRMYCSP-RDJZCZTQSA-N 1 0 384.293 2.532 20 0 GFADRO COc1cc(Br)c(NC(=O)N2CC[NH2+]C[C@@H]2C(C)C)cc1OC ZINC000528676277 564799906 /nfs/dbraw/zinc/79/99/06/564799906.db2.gz LPXMEVZCFXQNBL-CYBMUJFWSA-N 1 0 386.290 2.928 20 0 GFADRO COc1c(Br)cc(Cl)cc1NC(=O)NC1(C[NH3+])CCOCC1 ZINC000528682697 564800019 /nfs/dbraw/zinc/80/00/19/564800019.db2.gz WYJUTWAHGSMQBZ-UHFFFAOYSA-N 1 0 392.681 2.741 20 0 GFADRO COc1cc(OC)c(NC(=O)N2CC[NH2+]C[C@@H]2C(C)C)cc1Br ZINC000528688070 564800885 /nfs/dbraw/zinc/80/08/85/564800885.db2.gz LXJJOVVWDQMRLA-CYBMUJFWSA-N 1 0 386.290 2.928 20 0 GFADRO C[C@H](NC(=O)NC[C@H]1[N@H+](C)CCCC1(C)C)c1ncc(Br)cn1 ZINC000555740818 564803016 /nfs/dbraw/zinc/80/30/16/564803016.db2.gz DKNVYJIGYXUANO-WCQYABFASA-N 1 0 384.322 2.720 20 0 GFADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2c(F)ccc(Br)c2F)C1 ZINC000492817911 564804348 /nfs/dbraw/zinc/80/43/48/564804348.db2.gz MGHAINJDDOKJRD-NSHDSACASA-N 1 0 391.256 2.814 20 0 GFADRO C[NH+](C)C1CCN(c2ccc(NC(=O)[C@@H]3C[C@@]3(C)Br)nc2)CC1 ZINC000528837683 564807273 /nfs/dbraw/zinc/80/72/73/564807273.db2.gz AUGMVVHRSKEIJK-WMLDXEAASA-N 1 0 381.318 2.724 20 0 GFADRO O=S(=O)(N[C@@H]1C[C@H]1C1CC[NH2+]CC1)c1c(Cl)cccc1Br ZINC000461901152 564808617 /nfs/dbraw/zinc/80/86/17/564808617.db2.gz VCBNDWRSQRHJGZ-GXFFZTMASA-N 1 0 393.734 2.769 20 0 GFADRO CN(C)[C@H](C[NH2+][C@H]1CCCc2cc(S(N)(=O)=O)ccc21)c1ccsc1 ZINC000556049277 564811307 /nfs/dbraw/zinc/81/13/07/564811307.db2.gz UGYFMIYRVRUUME-ZWKOTPCHSA-N 1 0 379.551 2.665 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S(=O)(=O)CC[NH2+][C@@H]1C[C@]1(C)C(C)C ZINC000581662381 564812598 /nfs/dbraw/zinc/81/25/98/564812598.db2.gz HPPUTCIMDNCSLN-QZTJIDSGSA-N 1 0 387.567 2.668 20 0 GFADRO CNC(=O)CN1CCC([NH2+][C@@H]2CCc3cc(Br)cc(C)c32)CC1 ZINC000493897671 564812993 /nfs/dbraw/zinc/81/29/93/564812993.db2.gz QFXBKHDOQAYRLR-MRXNPFEDSA-N 1 0 380.330 2.545 20 0 GFADRO C[C@@H](C(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1)c1cccc(Br)c1 ZINC000462061842 564814425 /nfs/dbraw/zinc/81/44/25/564814425.db2.gz XDZNJACQJFWCNG-RHSMWYFYSA-N 1 0 383.330 2.762 20 0 GFADRO CC[NH+](CC)CCNC(=O)[C@H](c1ccc(Cl)cc1Cl)N1CCOCC1 ZINC000462064080 564814445 /nfs/dbraw/zinc/81/44/45/564814445.db2.gz VRKNZDKJVDYFHA-KRWDZBQOSA-N 1 0 388.339 2.825 20 0 GFADRO CN(C)S(=O)(=O)CC[NH2+][C@H]1CCCCc2cc(Br)ccc21 ZINC000581696870 564814628 /nfs/dbraw/zinc/81/46/28/564814628.db2.gz FYHQNEXCWZCFNQ-HNNXBMFYSA-N 1 0 375.332 2.698 20 0 GFADRO Cc1sc2ncnc(SCCC(=O)N[C@H]3C[NH2+]CCC3(F)F)c2c1C ZINC000581885073 564821489 /nfs/dbraw/zinc/82/14/89/564821489.db2.gz CYJRHEPVKAGYHA-NSHDSACASA-N 1 0 386.493 2.904 20 0 GFADRO COc1cc(NC(=O)c2csc(CC[NH3+])n2)cc(OC)c1Br ZINC000581885203 564821819 /nfs/dbraw/zinc/82/18/19/564821819.db2.gz LVTKMWGUYDWDSD-UHFFFAOYSA-N 1 0 386.271 2.676 20 0 GFADRO CC[N@@H+]1CCCC[C@@H]1CNS(=O)(=O)c1ccc(Br)c(F)c1 ZINC000462130101 564822207 /nfs/dbraw/zinc/82/22/07/564822207.db2.gz HZFNMKISCUVJFR-LLVKDONJSA-N 1 0 379.295 2.741 20 0 GFADRO CC(C)[N@@H+](C)C[C@H](C)NC(=O)[C@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000581975737 564824694 /nfs/dbraw/zinc/82/46/94/564824694.db2.gz SFRXVUBTMRLDTO-KBPBESRZSA-N 1 0 396.329 2.647 20 0 GFADRO C[N@H+]1C[C@H]2CN(C(=O)c3scc(Br)c3Br)C[C@H]2C1 ZINC000529200583 564824976 /nfs/dbraw/zinc/82/49/76/564824976.db2.gz WXVMXXZUJQADEJ-OCAPTIKFSA-N 1 0 394.132 2.907 20 0 GFADRO O=C(NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1c(Cl)cncc1Cl ZINC000556421476 564825197 /nfs/dbraw/zinc/82/51/97/564825197.db2.gz WOQSHONNHGXIQI-GOSISDBHSA-N 1 0 380.275 2.755 20 0 GFADRO COC(=O)c1cc(Br)cc(C(=O)N[C@@H](CC(C)C)C[NH+](C)C)c1 ZINC000462172781 564825473 /nfs/dbraw/zinc/82/54/73/564825473.db2.gz XVRZZVCWLSRACK-HNNXBMFYSA-N 1 0 385.302 2.942 20 0 GFADRO COC(=O)c1cc(Br)cc(C(=O)Nc2cc(C[NH+](C)C)ccn2)c1 ZINC000462181194 564826807 /nfs/dbraw/zinc/82/68/07/564826807.db2.gz PNHLRQRNULYDLC-UHFFFAOYSA-N 1 0 392.253 2.945 20 0 GFADRO O=C(N[C@@H]1CC[NH2+]C12CCC2)N[C@H]1CCN(c2ccccc2Br)C1 ZINC000529303407 564828002 /nfs/dbraw/zinc/82/80/02/564828002.db2.gz FPWJNQLESFNGGL-XJKSGUPXSA-N 1 0 393.329 2.612 20 0 GFADRO O=C(C[NH2+][C@@H]1CCO[C@@H]1c1ccc(Cl)cc1)NCC(=O)c1cccs1 ZINC000494457962 564830516 /nfs/dbraw/zinc/83/05/16/564830516.db2.gz QVOLQGLDMDQJPT-RDTXWAMCSA-N 1 0 378.881 2.820 20 0 GFADRO O=C(N[C@@H]1COc2cc(F)c(Br)cc21)N[C@H]1CC[NH2+]C12CCC2 ZINC000529332843 564830597 /nfs/dbraw/zinc/83/05/97/564830597.db2.gz XKARSUSGMTWNRS-OCCSQVGLSA-N 1 0 384.249 2.606 20 0 GFADRO [NH3+][C@@H]1CCN(C(=O)Nc2ccc(=O)n(Cc3ccc(Cl)c(Cl)c3)c2)C1 ZINC000582109758 564831617 /nfs/dbraw/zinc/83/16/17/564831617.db2.gz XDDCQZOSXZVKDM-GFCCVEGCSA-N 1 0 381.263 2.768 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2cc(Cl)cc(C(=O)OC)c2)C[C@@H]1C ZINC000462331962 564833764 /nfs/dbraw/zinc/83/37/64/564833764.db2.gz BLTSQXXVIKFYEN-WFASDCNBSA-N 1 0 388.917 2.620 20 0 GFADRO C[NH+](C)[C@@H]1[C@H]2CN(C(=O)c3scc(Br)c3Br)C[C@H]21 ZINC000529457338 564835928 /nfs/dbraw/zinc/83/59/28/564835928.db2.gz HRUOFEDYHFHFNZ-MTBHXBHISA-N 1 0 394.132 2.905 20 0 GFADRO O[C@@H](C[NH2+]CCCOc1ccc(Cl)cc1Cl)COC1CCOCC1 ZINC000582176435 564834052 /nfs/dbraw/zinc/83/40/52/564834052.db2.gz UCGIHIZKFFUWFT-AWEZNQCLSA-N 1 0 378.296 2.908 20 0 GFADRO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1CC/C=C/c1ccc(Br)cc1 ZINC000494701663 564837543 /nfs/dbraw/zinc/83/75/43/564837543.db2.gz GIVVXBQKXPKIJE-OUGHUQCRSA-N 1 0 387.343 2.866 20 0 GFADRO C[N@H+](CCCNS(=O)(=O)c1ccc(Br)cn1)C1CCCCC1 ZINC000462436354 564839546 /nfs/dbraw/zinc/83/95/46/564839546.db2.gz LDZFHZGOBWILDF-UHFFFAOYSA-N 1 0 390.347 2.777 20 0 GFADRO C[C@H](CNS(=O)(=O)c1ccc(Br)c(F)c1)[N@@H+]1CCC[C@H](C)C1 ZINC000462438839 564839676 /nfs/dbraw/zinc/83/96/76/564839676.db2.gz FNQWHCQSNXSEMR-NWDGAFQWSA-N 1 0 393.322 2.987 20 0 GFADRO O=C(NCC[NH2+]C[C@H](O)COc1ccc(Cl)cc1Cl)c1cccs1 ZINC000582355233 564842880 /nfs/dbraw/zinc/84/28/80/564842880.db2.gz BNIBBRYYGPJKQI-LBPRGKRZSA-N 1 0 389.304 2.814 20 0 GFADRO C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)CC[NH2+]C2CC2)CC1 ZINC000582370398 564844055 /nfs/dbraw/zinc/84/40/55/564844055.db2.gz OMMSNJYQYDCONT-AWEZNQCLSA-N 1 0 380.330 2.796 20 0 GFADRO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N(CCO)Cc1ccc(Br)s1 ZINC000462530442 564845335 /nfs/dbraw/zinc/84/53/35/564845335.db2.gz KMBNJHMDWQZUPV-GFCCVEGCSA-N 1 0 392.363 2.743 20 0 GFADRO COCC1(C[NH2+]C[C@H](O)COc2cc(Cl)ccc2Cl)CCOCC1 ZINC000582416300 564845616 /nfs/dbraw/zinc/84/56/16/564845616.db2.gz HOFIDCYTKZDNDL-AWEZNQCLSA-N 1 0 378.296 2.766 20 0 GFADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@@H](C)c1nc(C(F)(F)F)cs1 ZINC000495004617 564845999 /nfs/dbraw/zinc/84/59/99/564845999.db2.gz MQLRRODDRMQVIG-QWRGUYRKSA-N 1 0 380.436 2.633 20 0 GFADRO C[C@H]([NH2+]Cc1ccc(C[S@@](C)=O)cc1)c1ccc(NS(C)(=O)=O)cc1 ZINC000556898026 564846199 /nfs/dbraw/zinc/84/61/99/564846199.db2.gz DPJLAUXUNQNYGC-LFPIHBKWSA-N 1 0 380.535 2.787 20 0 GFADRO CC[N@H+]1C[C@@H](C)N(C(=O)c2cc(F)ccc2I)[C@@H](C)C1 ZINC000582444642 564847580 /nfs/dbraw/zinc/84/75/80/564847580.db2.gz MLMPPDYAUBBXDN-PHIMTYICSA-N 1 0 390.240 2.985 20 0 GFADRO C[C@H](NC(=O)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1)c1ccc(Br)cc1 ZINC000557014394 564850663 /nfs/dbraw/zinc/85/06/63/564850663.db2.gz JQUIMYAOZLCENC-RCBQFDQVSA-N 1 0 396.329 2.615 20 0 GFADRO CNS(=O)(=O)CCC[NH2+][C@H](CC1CC1)c1cc(F)cc(Br)c1 ZINC000495253950 564852718 /nfs/dbraw/zinc/85/27/18/564852718.db2.gz XAVUIRHSJGCAJG-OAHLLOKOSA-N 1 0 393.322 2.958 20 0 GFADRO C[C@H]1COCC[N@@H+]1C1CCN(CC(=O)Nc2ccccc2Br)CC1 ZINC000582584491 564852990 /nfs/dbraw/zinc/85/29/90/564852990.db2.gz NXSYJHCXHUTYBI-AWEZNQCLSA-N 1 0 396.329 2.573 20 0 GFADRO CS[C@H]1CN(C(=O)CCc2cc(Br)cs2)C[C@H]1[NH+](C)C ZINC000495551353 564854909 /nfs/dbraw/zinc/85/49/09/564854909.db2.gz YCENYINIJUAXKV-OLZOCXBDSA-N 1 0 377.373 2.947 20 0 GFADRO CNC(=O)CCC[N@@H+]1CC[C@H](Cc2cccc(I)c2)C1 ZINC000582614875 564854933 /nfs/dbraw/zinc/85/49/33/564854933.db2.gz LBXURQSFPGJGPK-CQSZACIVSA-N 1 0 386.277 2.682 20 0 GFADRO CS[C@@H]1CN(C(=O)[C@@H](C)Sc2ccc(NC(C)=O)cc2)C[C@H]1[NH+](C)C ZINC000495591946 564855843 /nfs/dbraw/zinc/85/58/43/564855843.db2.gz BSFLRCHNXJXYPJ-CSMYWGQOSA-N 1 0 381.567 2.630 20 0 GFADRO CS[C@@H]1CN(C(=O)c2ccnc(SCC(F)(F)F)c2)C[C@@H]1[NH+](C)C ZINC000495713796 564856877 /nfs/dbraw/zinc/85/68/77/564856877.db2.gz SDJFZNBSTZOYAO-NWDGAFQWSA-N 1 0 379.473 2.854 20 0 GFADRO CS(=O)(=O)[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(Br)cc2c1OCC2 ZINC000462833481 564859524 /nfs/dbraw/zinc/85/95/24/564859524.db2.gz IYJQOLAVZOKDPR-HUUCEWRRSA-N 1 0 388.327 2.829 20 0 GFADRO CN(c1ncnc2ccc(I)cc21)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000462837355 564859570 /nfs/dbraw/zinc/85/95/70/564859570.db2.gz GPSRGJHEZQAQGL-CYBMUJFWSA-N 1 0 394.260 2.907 20 0 GFADRO O=C(C[C@@H]1Sc2ccc(Cl)cc2NC1=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000462877218 564861302 /nfs/dbraw/zinc/86/13/02/564861302.db2.gz GZGWCWWZOPEGDZ-ZENOOKHLSA-N 1 0 379.913 2.647 20 0 GFADRO CC(C)C[C@H]([NH3+])c1noc(CCNC(=O)c2ccc(Br)cc2)n1 ZINC000582784563 564861576 /nfs/dbraw/zinc/86/15/76/564861576.db2.gz BWKKEXWFHLVAER-ZDUSSCGKSA-N 1 0 381.274 2.851 20 0 GFADRO CC[NH+](CC)CCN(C(=O)[C@H]1CCO[C@H]1C)c1ccc(Br)cn1 ZINC000582787973 564862446 /nfs/dbraw/zinc/86/24/46/564862446.db2.gz BDHHMULWMZPSGB-ZFWWWQNUSA-N 1 0 384.318 2.944 20 0 GFADRO CN1CC[C@@H](NC(=O)C[N@H+](C)[C@@H]2CCSC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000497264556 564863210 /nfs/dbraw/zinc/86/32/10/564863210.db2.gz GYYVYLSMMIMPTO-MZMPZRCHSA-N 1 0 385.936 2.778 20 0 GFADRO CS(=O)(=O)N1CC[C@H]([NH2+][C@H]2CC[C@@H](c3ccc(C(F)(F)F)cc3)C2)C1 ZINC000582849035 564864425 /nfs/dbraw/zinc/86/44/25/564864425.db2.gz INBLPNQFYFUPOT-KBMXLJTQSA-N 1 0 376.444 2.965 20 0 GFADRO NC(=O)[C@H](NC[C@@H]1CC[N@@H+]1C1CCCC1)c1ccc(Br)cc1F ZINC000530135685 564865248 /nfs/dbraw/zinc/86/52/48/564865248.db2.gz REXITFRPWZYIND-XJKSGUPXSA-N 1 0 384.293 2.721 20 0 GFADRO CCN1CCN(C(=O)c2ncc(Br)cc2Br)[C@H](C)C1 ZINC000557527483 564866576 /nfs/dbraw/zinc/86/65/76/564866576.db2.gz PRKJGRBKMHFJER-SECBINFHSA-N 1 0 391.107 2.773 20 0 GFADRO O=C(NCc1cc(Br)cc2c1OCC2)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000463014482 564866775 /nfs/dbraw/zinc/86/67/75/564866775.db2.gz WKJILBCTQLYCPP-HZPDHXFCSA-N 1 0 394.313 2.810 20 0 GFADRO CC(C)[N@H+](C)C[C@H](C)NC(=O)c1c(F)cccc1I ZINC000582897413 564867396 /nfs/dbraw/zinc/86/73/96/564867396.db2.gz OZBKPYIYQCVILM-JTQLQIEISA-N 1 0 378.229 2.889 20 0 GFADRO [NH3+][C@@H](CC(F)F)C(=O)NCc1cc(Cl)cc(I)c1 ZINC000582903524 564867501 /nfs/dbraw/zinc/86/75/01/564867501.db2.gz FEMFBOSIDPRKLE-VIFPVBQESA-N 1 0 388.583 2.543 20 0 GFADRO CN1C(=O)c2ccccc2[C@H]1C[NH2+]C[C@@H](O)c1cccc(Br)c1 ZINC000530243911 564872858 /nfs/dbraw/zinc/87/28/58/564872858.db2.gz LZZUXNVYFUSJRH-IAGOWNOFSA-N 1 0 375.266 2.899 20 0 GFADRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)Nc1nnc(SCc2ccccc2)s1 ZINC000583018175 564873060 /nfs/dbraw/zinc/87/30/60/564873060.db2.gz PTNVNDALIDBGLO-AWEZNQCLSA-N 1 0 377.539 3.388 20 0 GFADRO [NH3+]Cc1cn([C@@H]2CCCN(Cc3ccc(Br)c(F)c3F)C2)nn1 ZINC000530226824 564873277 /nfs/dbraw/zinc/87/32/77/564873277.db2.gz TXCPMIWJSJSGLT-GFCCVEGCSA-N 1 0 386.244 2.615 20 0 GFADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)NCc3cc(Br)cc4c3OCC4)[C@H]2C1 ZINC000463266898 564874556 /nfs/dbraw/zinc/87/45/56/564874556.db2.gz OOZAZARJZIUIKJ-WBMJQRKESA-N 1 0 394.313 2.620 20 0 GFADRO CC(C)(C)[C@@H](O)C[C@H](CO)[NH2+]CCC(=O)Nc1ccc(Br)cc1 ZINC000583084972 564875369 /nfs/dbraw/zinc/87/53/69/564875369.db2.gz STWNXUJBAHOHCW-CABCVRRESA-N 1 0 387.318 2.525 20 0 GFADRO CSCC[C@H]([NH3+])C(=O)Nc1cccc(NS(=O)(=O)c2ccccc2)c1 ZINC000497770987 564875755 /nfs/dbraw/zinc/87/57/55/564875755.db2.gz DHAWNXNUMHGVRX-INIZCTEOSA-N 1 0 379.507 2.506 20 0 GFADRO O=S(=O)(c1cc(Cl)ccc1OCC1CCC1)N1CC(n2ccnc2)C1 ZINC000530328711 564876921 /nfs/dbraw/zinc/87/69/21/564876921.db2.gz XMJBDWQCXWQEOZ-UHFFFAOYSA-N 1 0 381.885 2.961 20 0 GFADRO C[C@@H]([NH2+][C@@H](C)c1ccc(Br)cc1OCCCO)C(=O)NC1CC1 ZINC000463366161 564877131 /nfs/dbraw/zinc/87/71/31/564877131.db2.gz IVTHAFKOAHIMIR-NWDGAFQWSA-N 1 0 385.302 2.528 20 0 GFADRO C[C@H]([NH2+]CCc1ccnn1C)c1ccc(Br)cc1OCCCO ZINC000463363693 564877261 /nfs/dbraw/zinc/87/72/61/564877261.db2.gz BTTXJCRODMQRRS-ZDUSSCGKSA-N 1 0 382.302 2.837 20 0 GFADRO O=C(NCC[NH+]1CCCCC1)C(=O)Nc1cc(Cl)ccc1C(F)(F)F ZINC000497877560 564878319 /nfs/dbraw/zinc/87/83/19/564878319.db2.gz XAEZOUZCFUROES-UHFFFAOYSA-N 1 0 377.794 2.899 20 0 GFADRO C[N@@H+]1CCC[C@H]2CN(S(=O)(=O)Cc3cccc(Br)c3)CC[C@H]21 ZINC000557845755 564881838 /nfs/dbraw/zinc/88/18/38/564881838.db2.gz WANIMCKVJHXOES-GOEBONIOSA-N 1 0 387.343 2.695 20 0 GFADRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1S(=O)(=O)c1ccc(Br)s1 ZINC000557853665 564882631 /nfs/dbraw/zinc/88/26/31/564882631.db2.gz FASCQYUQXVDJBD-QWRGUYRKSA-N 1 0 379.345 2.758 20 0 GFADRO C[C@H](Cc1ccc(Br)cc1)NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC000583390436 564889511 /nfs/dbraw/zinc/88/95/11/564889511.db2.gz QSTPVILKGHKQPW-CYBMUJFWSA-N 1 0 379.302 2.568 20 0 GFADRO [NH3+][C@@H](CC(F)F)C(=O)N1CCC(C(=O)Nc2ccc(F)c(Cl)c2)CC1 ZINC000498199284 564890678 /nfs/dbraw/zinc/89/06/78/564890678.db2.gz BREFBOIMLXXVTR-ZDUSSCGKSA-N 1 0 377.794 2.639 20 0 GFADRO C[C@H]1C[C@@H](NC(=O)C2=Cc3cc(Br)ccc3OC2)C[N@@H+]1C1CC1 ZINC000530767245 564894232 /nfs/dbraw/zinc/89/42/32/564894232.db2.gz GXPMHUOJLPIGNV-XHDPSFHLSA-N 1 0 377.282 2.966 20 0 GFADRO COC(=O)c1sccc1NC(=O)C[NH2+][C@@H](CCO)c1ccc(Cl)cc1 ZINC000558156095 564894502 /nfs/dbraw/zinc/89/45/02/564894502.db2.gz UWGSMZKMFMJKEI-ZDUSSCGKSA-N 1 0 382.869 2.840 20 0 GFADRO CC[C@@H](C(=O)NCc1ccc(S(=O)(=O)N(CC)CC)s1)[NH+](CC)CC ZINC000530804249 564895357 /nfs/dbraw/zinc/89/53/57/564895357.db2.gz DLDQJNRRRQXWKX-HNNXBMFYSA-N 1 0 389.587 2.515 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)[C@@H]1CS[C@@]2(C)CCC(=O)N12)c1ccc(Cl)cc1 ZINC000530829175 564895930 /nfs/dbraw/zinc/89/59/30/564895930.db2.gz BUZRJSZOMNZXDO-VKJFTORMSA-N 1 0 381.929 2.513 20 0 GFADRO CC[NH+](CC)[C@@H](CNC(=O)CS(=O)(=O)c1ccc(Cl)cc1)CC(C)C ZINC000498455421 564899391 /nfs/dbraw/zinc/89/93/91/564899391.db2.gz VDNXTAXMBCNNKA-MRXNPFEDSA-N 1 0 388.961 2.986 20 0 GFADRO CC[N@@H+]1C[C@@H](C)N(C(=O)c2csc(I)c2)C[C@H]1C ZINC000498554912 564901906 /nfs/dbraw/zinc/90/19/06/564901906.db2.gz IWPBXSBDSYFMIO-NXEZZACHSA-N 1 0 378.279 2.907 20 0 GFADRO C[C@@H]1CC[N@H+](C)CCN1C(=O)c1cc(F)ccc1I ZINC000498730022 564906821 /nfs/dbraw/zinc/90/68/21/564906821.db2.gz XKTUXCVFTIXJCH-SNVBAGLBSA-N 1 0 376.213 2.597 20 0 GFADRO CC(=O)N[C@@H](CC(=O)N1CC[N@@H+](C)CC[C@H]1C)c1ccc(Br)cc1 ZINC000498734974 564907333 /nfs/dbraw/zinc/90/73/33/564907333.db2.gz CBXXDVFVAHITKP-DYVFJYSZSA-N 1 0 396.329 2.569 20 0 GFADRO Cc1cc(N2CCC[C@H]([N@@H+]3C[C@@H]4CC[C@@H](O)[C@H]4C3)C2=O)ccc1Br ZINC000464495347 564908208 /nfs/dbraw/zinc/90/82/08/564908208.db2.gz JRXQKSGDUSCWOY-QXRTWZOPSA-N 1 0 393.325 2.956 20 0 GFADRO COC(=O)c1cc(Br)cc(C(=O)NC[C@@H](CC(C)C)[NH+](C)C)c1 ZINC000464554169 564910778 /nfs/dbraw/zinc/91/07/78/564910778.db2.gz LOSULMCUKJQVKK-OAHLLOKOSA-N 1 0 385.302 2.942 20 0 GFADRO CC[C@@H]([NH2+]CCNS(=O)(=O)c1ccc(F)cc1Cl)C1CCOCC1 ZINC000558694857 564911273 /nfs/dbraw/zinc/91/12/73/564911273.db2.gz DWGOXNPGZXKMTM-OAHLLOKOSA-N 1 0 378.897 2.552 20 0 GFADRO C[C@H](C1CC[NH+](C)CC1)N(C)S(=O)(=O)c1ccc(Br)cc1 ZINC000498889532 564912238 /nfs/dbraw/zinc/91/22/38/564912238.db2.gz KVARHTDTEPFNFG-GFCCVEGCSA-N 1 0 375.332 2.800 20 0 GFADRO CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@H](O)COc2cccc(Br)c2)C1 ZINC000583990245 564915445 /nfs/dbraw/zinc/91/54/45/564915445.db2.gz PSOUFDZLXJSMTQ-SNPRPXQTSA-N 1 0 386.286 2.510 20 0 GFADRO C[C@H]1C[C@@H](NC(=O)C(=O)Nc2cc(Cl)ccc2C(F)(F)F)CC[N@@H+]1C ZINC000499034762 564915880 /nfs/dbraw/zinc/91/58/80/564915880.db2.gz AABVYPBNYKWIQW-ONGXEEELSA-N 1 0 377.794 2.896 20 0 GFADRO CC[C@H](NC(=O)NC[C@H](c1cccs1)[NH+]1CCCC1)[C@@H](O)C(F)(F)F ZINC000499087958 564917325 /nfs/dbraw/zinc/91/73/25/564917325.db2.gz CFRQIHRHCAKCSZ-OUCADQQQSA-N 1 0 379.448 2.886 20 0 GFADRO CCCC[N@H+](C)CCNc1cnn(-c2ccccn2)c(=O)c1Br ZINC000558905482 564917481 /nfs/dbraw/zinc/91/74/81/564917481.db2.gz DHOSFGNLDKQLTJ-UHFFFAOYSA-N 1 0 380.290 2.534 20 0 GFADRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1cc(Br)cnc1N(C)C ZINC000499091002 564918228 /nfs/dbraw/zinc/91/82/28/564918228.db2.gz YEQMECWQVWZHMJ-STQMWFEESA-N 1 0 383.334 2.760 20 0 GFADRO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N2CCN(Cc3ccc(Cl)s3)CC2)C1 ZINC000465008090 564922297 /nfs/dbraw/zinc/92/22/97/564922297.db2.gz KBTPHTJIUZPJIR-ZBFHGGJFSA-N 1 0 384.977 2.957 20 0 GFADRO C[N@@H+]1CCC[C@]2(CCN(S(=O)(=O)c3cc(Br)ccc3F)C2)C1 ZINC000559132397 564923403 /nfs/dbraw/zinc/92/34/03/564923403.db2.gz PGANDNSAHJAVKF-HNNXBMFYSA-N 1 0 391.306 2.695 20 0 GFADRO COc1ccc(C(=O)NC[C@H](C)[NH+]2CCCC2)cc1I ZINC000531929815 564925143 /nfs/dbraw/zinc/92/51/43/564925143.db2.gz VXGDWADDWRUCHO-NSHDSACASA-N 1 0 388.249 2.514 20 0 GFADRO CN(Cc1cc(Br)cs1)C(=O)Cn1cc2c(n1)[C@H]([NH3+])CCC2 ZINC000584226949 564926030 /nfs/dbraw/zinc/92/60/30/564926030.db2.gz YDLAZQXDUTXFKS-CYBMUJFWSA-N 1 0 383.315 2.702 20 0 GFADRO NC(=O)COc1cccc(C[NH2+][C@H]2CCc3cccc(Br)c3C2)c1 ZINC000559273296 564928529 /nfs/dbraw/zinc/92/85/29/564928529.db2.gz NKRDKUYTDZHEQT-HNNXBMFYSA-N 1 0 389.293 2.960 20 0 GFADRO CC[NH+](CC)CC[C@H](CO)NC(=O)Nc1c(F)cc(F)cc1Br ZINC000499510458 564930085 /nfs/dbraw/zinc/93/00/85/564930085.db2.gz VTDVVCILACKCCR-LLVKDONJSA-N 1 0 394.260 2.942 20 0 GFADRO COC1CC[NH+](C2(CNC(=O)c3ccncc3Br)CCCC2)CC1 ZINC000532166329 564931514 /nfs/dbraw/zinc/93/15/14/564931514.db2.gz SKYRZIVHGHDZFB-UHFFFAOYSA-N 1 0 396.329 2.998 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)N1CCC([C@@H](O)C(F)(F)F)CC1)c1ccsc1 ZINC000532214579 564932378 /nfs/dbraw/zinc/93/23/78/564932378.db2.gz SDKZEHFDOPBNAZ-ZIAGYGMSSA-N 1 0 379.448 2.696 20 0 GFADRO Brc1cc(C[NH2+]C2CCN(c3cnccn3)CC2)cc2c1OCO2 ZINC000532211943 564932542 /nfs/dbraw/zinc/93/25/42/564932542.db2.gz GVGGOMWVODGPIE-UHFFFAOYSA-N 1 0 391.269 2.726 20 0 GFADRO C[C@@H]1C[C@H](NCc2cn(-c3ccccc3Br)nn2)C[N@@H+]1C1CC1 ZINC000499688135 564933651 /nfs/dbraw/zinc/93/36/51/564933651.db2.gz UFSYIQBPWUYWQF-OLZOCXBDSA-N 1 0 376.302 2.745 20 0 GFADRO COCCC[N@H+](C)CCNC(=O)N[C@H]1COc2c1ccc(Cl)c2Cl ZINC000466079600 564935235 /nfs/dbraw/zinc/93/52/35/564935235.db2.gz XGTYWERVSKMUSD-ZDUSSCGKSA-N 1 0 376.284 2.694 20 0 GFADRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NCCc1ccc(F)c(Br)c1 ZINC000466222891 564936172 /nfs/dbraw/zinc/93/61/72/564936172.db2.gz HFYIFCZDRRYFGX-MEDUHNTESA-N 1 0 384.293 2.913 20 0 GFADRO COc1ccc(C(=O)NC[C@H](C)[NH+]2CCCC2)c(I)c1 ZINC000532384390 564936377 /nfs/dbraw/zinc/93/63/77/564936377.db2.gz HJZRGMADFZZUCX-NSHDSACASA-N 1 0 388.249 2.514 20 0 GFADRO CC[N@@H+]1CCCN(C(=O)c2cc(F)ccc2I)CC1 ZINC000499827477 564938074 /nfs/dbraw/zinc/93/80/74/564938074.db2.gz MJXXHWQBONTDIT-UHFFFAOYSA-N 1 0 376.213 2.598 20 0 GFADRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)Nc2cc(Br)ccn2)C1 ZINC000499869147 564939039 /nfs/dbraw/zinc/93/90/39/564939039.db2.gz WFGQAUSGZIIUDC-AWEZNQCLSA-N 1 0 385.306 2.809 20 0 GFADRO Brc1cncc(C[NH2+]Cc2ccc(CN3CCOCC3)cc2)c1 ZINC000466364250 564939018 /nfs/dbraw/zinc/93/90/18/564939018.db2.gz JMXBUFZDYGXRJI-UHFFFAOYSA-N 1 0 376.298 2.966 20 0 GFADRO O[C@@H](C[NH2+]Cc1ccc2[nH]cnc2c1)COc1ccccc1Br ZINC000532479254 564939333 /nfs/dbraw/zinc/93/93/33/564939333.db2.gz GIIYTBGNOBXUKB-ZDUSSCGKSA-N 1 0 376.254 2.855 20 0 GFADRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)CCOc1ccccc1Br ZINC000499895159 564939453 /nfs/dbraw/zinc/93/94/53/564939453.db2.gz KWIMMJJMYLAZQZ-HNNXBMFYSA-N 1 0 399.329 2.787 20 0 GFADRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)CCc1ccccc1Br ZINC000499893499 564939547 /nfs/dbraw/zinc/93/95/47/564939547.db2.gz DSSWRAQZCAOBES-MRXNPFEDSA-N 1 0 383.330 2.951 20 0 GFADRO C[C@H](CNC(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C)Oc1cccc(Br)c1 ZINC000466543054 564942854 /nfs/dbraw/zinc/94/28/54/564942854.db2.gz DGFGKQTZJPSMQN-OGHNNQOOSA-N 1 0 396.329 2.998 20 0 GFADRO C[NH+](C)CC1(NC(=O)c2cnn(-c3cccc(Br)c3)c2)CCC1 ZINC000466579693 564944330 /nfs/dbraw/zinc/94/43/30/564944330.db2.gz UGZHJNKLCYPQJE-UHFFFAOYSA-N 1 0 377.286 2.849 20 0 GFADRO O=C(c1cccc(F)c1I)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000532754668 564944394 /nfs/dbraw/zinc/94/43/94/564944394.db2.gz QACBZOYUWVSSDW-LLVKDONJSA-N 1 0 388.224 2.741 20 0 GFADRO CCCc1ccc(Cl)c(S(=O)(=O)NC[C@H](CC[NH+](C)C)OCC)c1 ZINC000560041460 564946479 /nfs/dbraw/zinc/94/64/79/564946479.db2.gz KMWCWMSSWHLSCJ-HNNXBMFYSA-N 1 0 376.950 2.928 20 0 GFADRO C/C(=C/c1ccccc1C(F)(F)F)C[NH2+]CCNS(=O)(=O)NC(C)C ZINC000500396530 564951953 /nfs/dbraw/zinc/95/19/53/564951953.db2.gz ARZYLVYZPDQZTD-RAXLEYEMSA-N 1 0 379.448 2.531 20 0 GFADRO CS(=O)(=O)NC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(Br)cc1Cl ZINC000500459309 564954111 /nfs/dbraw/zinc/95/41/11/564954111.db2.gz HHOQRTDQLVLSBW-FZMZJTMJSA-N 1 0 395.750 2.910 20 0 GFADRO CS(=O)(=O)NC[C@H]1CCC[C@H]1[NH2+]Cc1c(F)ccc(Br)c1F ZINC000500532899 564956452 /nfs/dbraw/zinc/95/64/52/564956452.db2.gz MDLQZUUNUSYWDR-NOZJJQNGSA-N 1 0 397.285 2.535 20 0 GFADRO CS(=O)(=O)NC[C@H]1CCC[C@H]1[NH2+]Cc1cc(Cl)ccc1OC(F)F ZINC000500527088 564956460 /nfs/dbraw/zinc/95/64/60/564956460.db2.gz CYVUMRJDYRGABT-ZWNOBZJWSA-N 1 0 382.860 2.749 20 0 GFADRO CCOc1c(Cl)cc(C[NH2+][C@@H]2CCC[C@@H]2CNS(C)(=O)=O)cc1OC ZINC000500571362 564957245 /nfs/dbraw/zinc/95/72/45/564957245.db2.gz OKMHOVDJAKOGBH-UKRRQHHQSA-N 1 0 390.933 2.555 20 0 GFADRO CN(CC[N@H+](C)C1CC1)C(=O)C(=O)Nc1cc(Cl)ccc1C(F)(F)F ZINC000500634583 564958385 /nfs/dbraw/zinc/95/83/85/564958385.db2.gz OBDYZILJVDLREX-UHFFFAOYSA-N 1 0 377.794 2.850 20 0 GFADRO COCCN(CC[NH+](C)C)C(=O)[C@H]1C[C@]12CCc1cc(Br)ccc12 ZINC000467248919 564959298 /nfs/dbraw/zinc/95/92/98/564959298.db2.gz BMKBREZYQIHHTA-MJGOQNOKSA-N 1 0 395.341 2.690 20 0 GFADRO C[NH+](C)CCN(Cc1ccccn1)C(=O)Cc1ccc(Br)cc1 ZINC000500789340 564962140 /nfs/dbraw/zinc/96/21/40/564962140.db2.gz ZNXKBDXYUJYBKE-UHFFFAOYSA-N 1 0 376.298 2.977 20 0 GFADRO C[C@@H]1CN(C(=O)c2ccc(S(=O)(=O)c3ccccc3)s2)C[C@H]1[NH+](C)C ZINC000467520018 564966451 /nfs/dbraw/zinc/96/64/51/564966451.db2.gz GTQZDMMKOOLAMF-UKRRQHHQSA-N 1 0 378.519 2.603 20 0 GFADRO Cc1nccc(C[NH2+]C[C@H](O)COc2ccc(Cl)cc2Br)n1 ZINC000560509947 564966714 /nfs/dbraw/zinc/96/67/14/564966714.db2.gz OTLMXSQXWKHPPN-ZDUSSCGKSA-N 1 0 386.677 2.730 20 0 GFADRO CC(C)[NH+]1CCN([C@@H]2CCN(Cc3cccc(O)c3Br)C2)CC1 ZINC000560576077 564968293 /nfs/dbraw/zinc/96/82/93/564968293.db2.gz FIDKABRFFJSINM-MRXNPFEDSA-N 1 0 382.346 2.755 20 0 GFADRO CCOc1c(Cl)cc(NC(=O)C(=O)NC[C@@H]2CCC[N@@H+]2CC)cc1Cl ZINC000467625419 564968529 /nfs/dbraw/zinc/96/85/29/564968529.db2.gz RIWRWFBZDFSLFA-LBPRGKRZSA-N 1 0 388.295 2.931 20 0 GFADRO C[C@@H]1COCC[C@@H]1C[NH2+][C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000560582850 564969187 /nfs/dbraw/zinc/96/91/87/564969187.db2.gz KCONQTBTWRTREP-JMSVASOKSA-N 1 0 388.327 2.930 20 0 GFADRO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)c2ccc(Br)cc2F)CC1 ZINC000501080305 564970019 /nfs/dbraw/zinc/97/00/19/564970019.db2.gz WJTWPELYNPEFPZ-HNNXBMFYSA-N 1 0 398.320 2.830 20 0 GFADRO CC[C@]1(C(=O)NC[C@H]2CCN(c3cccc(Br)c3)C2)CCC[NH2+]1 ZINC000467692162 564970118 /nfs/dbraw/zinc/97/01/18/564970118.db2.gz RMZSNFKOQLFZSB-RDTXWAMCSA-N 1 0 380.330 2.924 20 0 GFADRO CC[C@]1(C(=O)N2CCN(Cc3ccc(Br)s3)CC2)CCC[NH2+]1 ZINC000467704385 564970486 /nfs/dbraw/zinc/97/04/86/564970486.db2.gz JLIOBSAWRUIGLO-MRXNPFEDSA-N 1 0 386.359 2.687 20 0 GFADRO C[C@@H](NS(=O)(=O)c1ccc(F)c(Br)c1)C(C)(C)C[NH+](C)C ZINC000467770563 564972022 /nfs/dbraw/zinc/97/20/22/564972022.db2.gz KVGPKEFPAYQCMR-SNVBAGLBSA-N 1 0 381.311 2.843 20 0 GFADRO C[N@H+](CC1CC1)C[C@@H]1CCN(S(=O)(=O)c2ccccc2Br)C1 ZINC000467780722 564972462 /nfs/dbraw/zinc/97/24/62/564972462.db2.gz UHKWXNSPZQARNK-AWEZNQCLSA-N 1 0 387.343 2.802 20 0 GFADRO CCN(C)S(=O)(=O)NC[C@H](c1ccc(C(F)(F)F)cc1)[NH+](CC)CC ZINC000467799092 564973603 /nfs/dbraw/zinc/97/36/03/564973603.db2.gz OUBNDTAFWDPKBZ-OAHLLOKOSA-N 1 0 381.464 2.874 20 0 GFADRO COC[C@H](C)CC(=O)Nc1cc(Br)ccc1N1CC[NH+](C)CC1 ZINC000501215060 564973692 /nfs/dbraw/zinc/97/36/92/564973692.db2.gz ADSAZKGTEWZAMT-CYBMUJFWSA-N 1 0 384.318 2.812 20 0 GFADRO CCn1c(SCC(=O)N[C@@H](C)C[NH+](CC)CC)nnc1-c1cccs1 ZINC000501238485 564974555 /nfs/dbraw/zinc/97/45/55/564974555.db2.gz IKMZVTYMWFXQPB-ZDUSSCGKSA-N 1 0 381.571 2.965 20 0 GFADRO CN1CCN(C(=O)CSc2nncn2-c2cccc(Cl)c2)C(C)(C)C1 ZINC000501339406 564977192 /nfs/dbraw/zinc/97/71/92/564977192.db2.gz CKSOJXPVHSYCIG-UHFFFAOYSA-N 1 0 379.917 2.565 20 0 GFADRO C[C@@H]([NH2+][C@@H](C)CC(F)(F)F)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000468048203 564977379 /nfs/dbraw/zinc/97/73/79/564977379.db2.gz FRLFGWKRIAJMTF-QWHCGFSZSA-N 1 0 380.432 2.699 20 0 GFADRO C[N@H+](CCC(=O)OC(C)(C)C)C[C@H](O)COc1ccc(Br)cc1 ZINC000468149170 564979104 /nfs/dbraw/zinc/97/91/04/564979104.db2.gz WXECRFQPRRHAFN-AWEZNQCLSA-N 1 0 388.302 2.852 20 0 GFADRO Cc1ncc(NC(=O)C(=O)N(CC[NH+](C)C)Cc2cccc(Cl)c2)s1 ZINC000501426026 564979601 /nfs/dbraw/zinc/97/96/01/564979601.db2.gz SUHZNCCLYZXVQE-UHFFFAOYSA-N 1 0 380.901 2.634 20 0 GFADRO CS[C@@H]1CN(C(=O)[C@@H](C)Oc2ccc(Br)cc2)C[C@@H]1[NH+](C)C ZINC000534093333 564979892 /nfs/dbraw/zinc/97/98/92/564979892.db2.gz KWBADXPABDFMRN-BYCMXARLSA-N 1 0 387.343 2.720 20 0 GFADRO CN1CCN(C(=O)Nc2cccc(Cl)c2SCC(F)F)[C@H](C[NH3+])C1 ZINC000560979227 564980041 /nfs/dbraw/zinc/98/00/41/564980041.db2.gz XXXHOFRTZSYDIF-SNVBAGLBSA-N 1 0 378.876 2.804 20 0 GFADRO O=C(NCC[C@@H]1CCC[NH2+]C1)Nc1nnc(-c2ccc(Cl)cc2F)s1 ZINC000561019635 564981960 /nfs/dbraw/zinc/98/19/60/564981960.db2.gz CFLJQECWOVRGNP-JTQLQIEISA-N 1 0 383.880 3.509 20 0 GFADRO Cn1cc(Br)c(C(=O)NC[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)n1 ZINC000501605229 564983246 /nfs/dbraw/zinc/98/32/46/564983246.db2.gz JDKUFXSKTBRUID-GOSISDBHSA-N 1 0 391.313 2.967 20 0 GFADRO COCC[N@H+](C)CCNC(=O)N(C)C[C@@H](C)Oc1ccc(Cl)c(Cl)c1 ZINC000468512789 564985078 /nfs/dbraw/zinc/98/50/78/564985078.db2.gz YBYGUYJFIQWRDV-CYBMUJFWSA-N 1 0 392.327 2.980 20 0 GFADRO COC(=O)CN1CCC([NH2+][C@@H](C)[C@H](OC)c2ccc(Br)cc2)CC1 ZINC000468510676 564985108 /nfs/dbraw/zinc/98/51/08/564985108.db2.gz NJDUFVGSBDPDNM-UGSOOPFHSA-N 1 0 399.329 2.752 20 0 GFADRO CCC[N@H+](C)CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(CC)CC)c1 ZINC000534527046 564991834 /nfs/dbraw/zinc/99/18/34/564991834.db2.gz VFNPIBBICRPPRX-UHFFFAOYSA-N 1 0 375.922 2.651 20 0 GFADRO COC(=O)c1sc2nc(C)nc(N3C[C@@H](SC)[C@H]([NH+](C)C)C3)c2c1C ZINC000502142822 564992224 /nfs/dbraw/zinc/99/22/24/564992224.db2.gz NHBUEISOVGZRNM-VXGBXAGGSA-N 1 0 380.539 2.577 20 0 GFADRO CC[C@@H](CO)[NH+]1CCN(C(=O)CCCOc2cccc(Br)c2)CC1 ZINC000534714043 564995132 /nfs/dbraw/zinc/99/51/32/564995132.db2.gz JZMOATOTZPNJKI-INIZCTEOSA-N 1 0 399.329 2.523 20 0 GFADRO C[C@H](NC(=O)C(=O)N1CC[C@H]2CC[N@H+](C)C[C@@H]21)c1cccc(Cl)c1Cl ZINC000502308127 564995779 /nfs/dbraw/zinc/99/57/79/564995779.db2.gz YNDNSOGLMANPMW-ZOWXZIJZSA-N 1 0 384.307 2.723 20 0 GFADRO CC1(C)CCC[N@H+](CCNS(=O)(=O)Cc2cccc(Br)c2)C1 ZINC000561527487 564999517 /nfs/dbraw/zinc/99/95/17/564999517.db2.gz BALZEWTZYXNOPV-UHFFFAOYSA-N 1 0 389.359 2.991 20 0 GFADRO C[C@H]1C[C@H]1[N@@H+]1CCN(C(=O)c2cc3c(c(Br)c2)OCO3)C[C@@H](C)C1 ZINC000561760455 565008106 /nfs/dbraw/zinc/00/81/06/565008106.db2.gz GVCHTCQTPMOGMP-SLEUVZQESA-N 1 0 395.297 2.980 20 0 GFADRO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000469180892 565008456 /nfs/dbraw/zinc/00/84/56/565008456.db2.gz ZHDDYUHTLPOGTK-YDHLFZDLSA-N 1 0 390.933 2.515 20 0 GFADRO C[C@H](Sc1ccc(Br)cc1)C(=O)NCCNc1cc[nH+]cc1 ZINC000535257843 565008743 /nfs/dbraw/zinc/00/87/43/565008743.db2.gz LKKOAUHUIBNMQB-LBPRGKRZSA-N 1 0 380.311 2.975 20 0 GFADRO C[N@@H+]1CC[C@]2(CCN(C(=O)c3cccc(F)c3I)C2)C1 ZINC000561773356 565008911 /nfs/dbraw/zinc/00/89/11/565008911.db2.gz DSUDCGVQHSBNMC-HNNXBMFYSA-N 1 0 388.224 2.598 20 0 GFADRO C[C@@H](C[NH+](C)C)NC(=O)CCCOc1ccc(I)cc1 ZINC000561768016 565009044 /nfs/dbraw/zinc/00/90/44/565009044.db2.gz HXFPTVJXXWVHJI-LBPRGKRZSA-N 1 0 390.265 2.517 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cncc(I)c2)C[C@H]1C ZINC000535291468 565009721 /nfs/dbraw/zinc/00/97/21/565009721.db2.gz AZTJXYIWUJZFMK-BXUZGUMPSA-N 1 0 387.265 2.631 20 0 GFADRO Cc1cccc(CNC(=O)NC[C@H](O)C[NH+]2CCC(C)CC2)c1Br ZINC000469340409 565013843 /nfs/dbraw/zinc/01/38/43/565013843.db2.gz QVTJEUREYUPBPT-INIZCTEOSA-N 1 0 398.345 2.650 20 0 GFADRO CS[C@@H]1CN(C(=O)c2cnn(-c3ccccc3Cl)c2C)C[C@H]1[NH+](C)C ZINC000535541747 565015165 /nfs/dbraw/zinc/01/51/65/565015165.db2.gz HOIMNMOOHCPLBZ-IAGOWNOFSA-N 1 0 378.929 2.952 20 0 GFADRO CC(=O)NCCN(CC[C@@H]1CCC[N@H+]1C)Cc1ccc(Br)s1 ZINC000503246498 565016286 /nfs/dbraw/zinc/01/62/86/565016286.db2.gz ZYLYOEARNSXEMK-AWEZNQCLSA-N 1 0 388.375 2.933 20 0 GFADRO CC(C)C[N@@H+]1CCO[C@H](CNCc2cn3ccc(Br)cc3n2)C1 ZINC000562078460 565017484 /nfs/dbraw/zinc/01/74/84/565017484.db2.gz HTEJJAZKBHKDPR-MRXNPFEDSA-N 1 0 381.318 2.543 20 0 GFADRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]Cc3cn4ccc(Br)cc4n3)[C@@H]2C1 ZINC000562078639 565017890 /nfs/dbraw/zinc/01/78/90/565017890.db2.gz QHKGKKXOJCBNJW-XKQJLSEDSA-N 1 0 391.313 2.833 20 0 GFADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CC(=O)Nc3ccc(Br)cc32)C1 ZINC000469477666 565018814 /nfs/dbraw/zinc/01/88/14/565018814.db2.gz IVGOWOXPCSXNCA-WFASDCNBSA-N 1 0 394.313 2.675 20 0 GFADRO Cc1nccc(NC(=O)N2CC([N@H+](C)Cc3ccccc3)C2)c1Br ZINC000562269634 565021737 /nfs/dbraw/zinc/02/17/37/565021737.db2.gz NQUSEXPJUQDHBV-UHFFFAOYSA-N 1 0 389.297 2.923 20 0 GFADRO C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)C1(c2ccc(I)cc2)CC1 ZINC000503512825 565021855 /nfs/dbraw/zinc/02/18/55/565021855.db2.gz JSCKHECPVKKFKM-CHWSQXEVSA-N 1 0 398.288 2.874 20 0 GFADRO C[C@@H](O)C[N@@H+]1CCN(C(=O)N[C@H](C)c2ccc(Br)cc2)[C@H](C)C1 ZINC000503551434 565023443 /nfs/dbraw/zinc/02/34/43/565023443.db2.gz MOCFEFMHYDSZRM-MGPQQGTHSA-N 1 0 384.318 2.607 20 0 GFADRO COc1cc(Br)ccc1[C@H](C)[NH2+]CCn1nc2ccccn2c1=O ZINC000469741299 565025692 /nfs/dbraw/zinc/02/56/92/565025692.db2.gz JIKYXUZCPRIGMZ-LBPRGKRZSA-N 1 0 391.269 2.618 20 0 GFADRO C[C@@H](CNC(=O)c1cncc(I)c1)[N@@H+]1CCCC[C@H]1C ZINC000535999334 565025881 /nfs/dbraw/zinc/02/58/81/565025881.db2.gz SZXSXCJHBJVQIO-NEPJUHHUSA-N 1 0 387.265 2.679 20 0 GFADRO CC[NH+](CC)CCOCCNC(=O)c1ccc(Br)c2c1OCCC2 ZINC000469803678 565028001 /nfs/dbraw/zinc/02/80/01/565028001.db2.gz DFRUXSZZHBTXIQ-UHFFFAOYSA-N 1 0 399.329 2.862 20 0 GFADRO CC(C)[C@H]1CN(C(=O)[C@@H]2CC(=O)Nc3ccc(Br)cc32)CC[N@@H+]1C ZINC000469848936 565029175 /nfs/dbraw/zinc/02/91/75/565029175.db2.gz ASXJBJZDYRDNKQ-GDBMZVCRSA-N 1 0 394.313 2.674 20 0 GFADRO CO[C@@H]1CCN(Cc2cn(-c3ccc(Br)cc3)nc2C)[C@H](C[NH3+])C1 ZINC000469885727 565030826 /nfs/dbraw/zinc/03/08/26/565030826.db2.gz UXWRZNOSKAUEEG-ZWKOTPCHSA-N 1 0 393.329 2.881 20 0 GFADRO CO[C@H]1CCN(Cc2cc(Br)c3c(c2)OCCCO3)[C@@H](C[NH3+])C1 ZINC000469879754 565030954 /nfs/dbraw/zinc/03/09/54/565030954.db2.gz HFOHKBJVXSVQBV-KGLIPLIRSA-N 1 0 385.302 2.549 20 0 GFADRO Cc1cc(Br)cc2c1[C@H]([NH2+]CC1(OCCO)CCOCC1)CC2 ZINC000503923760 565030940 /nfs/dbraw/zinc/03/09/40/565030940.db2.gz FLVKUXRXIQNKIJ-MRXNPFEDSA-N 1 0 384.314 2.893 20 0 GFADRO Cc1cc(Br)cc2c1[C@@H]([NH2+]CC1(OCCO)CCOCC1)CC2 ZINC000503923759 565031124 /nfs/dbraw/zinc/03/11/24/565031124.db2.gz FLVKUXRXIQNKIJ-INIZCTEOSA-N 1 0 384.314 2.893 20 0 GFADRO CCOC(=O)c1sc2ncnc(N3C[C@H](SC)[C@@H]([NH+](C)C)C3)c2c1C ZINC000536174723 565031564 /nfs/dbraw/zinc/03/15/64/565031564.db2.gz WBTHBPGADBMCRW-RYUDHWBXSA-N 1 0 380.539 2.658 20 0 GFADRO Ic1ccc(N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)nc1 ZINC000562529855 565032482 /nfs/dbraw/zinc/03/24/82/565032482.db2.gz WONVFCUJBYWRDJ-ZIAGYGMSSA-N 1 0 387.265 2.742 20 0 GFADRO O=C(CCc1nc2cc(Cl)ccc2s1)NC[C@@H]1CCCC[N@H+]1CCO ZINC000562556233 565033724 /nfs/dbraw/zinc/03/37/24/565033724.db2.gz FXLRIOGUSGGJAU-AWEZNQCLSA-N 1 0 381.929 2.845 20 0 GFADRO CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000562578513 565034192 /nfs/dbraw/zinc/03/41/92/565034192.db2.gz FNTFBRDZMOYJIU-DOMZBBRYSA-N 1 0 396.329 2.837 20 0 GFADRO CC[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)NCC[N@H+](CC)CCO ZINC000470055508 565036659 /nfs/dbraw/zinc/03/66/59/565036659.db2.gz GRCIVNSEHNBOJK-OAHLLOKOSA-N 1 0 376.328 2.928 20 0 GFADRO O=C(COc1ccc(Cl)cc1Cl)N1CC[NH+](CC[C@@H]2CCOC2)CC1 ZINC000470152627 565039136 /nfs/dbraw/zinc/03/91/36/565039136.db2.gz SSQZLTUFTSPPDI-CQSZACIVSA-N 1 0 387.307 2.943 20 0 GFADRO O=C(Nc1cc(Br)cc(C(F)(F)F)c1)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000536537000 565040262 /nfs/dbraw/zinc/04/02/62/565040262.db2.gz XABBZGFIJQJIFY-ZDUSSCGKSA-N 1 0 392.219 2.796 20 0 GFADRO CCC[NH+]1CCC(CNC(=O)N[C@@H](CO)c2ccc(Br)cc2)CC1 ZINC000504439317 565040432 /nfs/dbraw/zinc/04/04/32/565040432.db2.gz UZGDWQDGXIKORH-KRWDZBQOSA-N 1 0 398.345 2.904 20 0 GFADRO CC[NH2+]CCCNC(=O)C(=O)Nc1ccc(Sc2nc(C)cs2)cc1 ZINC000562757779 565041235 /nfs/dbraw/zinc/04/12/35/565041235.db2.gz LMTSEPLIYSIVCW-UHFFFAOYSA-N 1 0 378.523 2.657 20 0 GFADRO C[C@H](Cn1cc(Br)cn1)[NH2+]C[C@H](Cc1ccccc1Cl)C(N)=O ZINC000470297796 565042119 /nfs/dbraw/zinc/04/21/19/565042119.db2.gz KHOQZKVVRNJIOV-YPMHNXCESA-N 1 0 399.720 2.621 20 0 GFADRO C[C@@H](Cn1cc(Br)cn1)[NH2+]C[C@H](Cc1ccccc1Cl)C(N)=O ZINC000470297793 565042158 /nfs/dbraw/zinc/04/21/58/565042158.db2.gz KHOQZKVVRNJIOV-AAEUAGOBSA-N 1 0 399.720 2.621 20 0 GFADRO COc1cc(CNC(=O)c2ccc3c(c2)C[NH2+]C3)cc(Br)c1OC ZINC000470364121 565043929 /nfs/dbraw/zinc/04/39/29/565043929.db2.gz RMLSZMPUJWRZMW-UHFFFAOYSA-N 1 0 391.265 3.000 20 0 GFADRO C[C@@H](NC(=O)N1CCC([C@H]2[NH2+]CC2(C)C)CC1)c1ncc(Br)cn1 ZINC000562818491 565044025 /nfs/dbraw/zinc/04/40/25/565044025.db2.gz QWKLTNVWZIDIFI-BXUZGUMPSA-N 1 0 396.333 2.720 20 0 GFADRO C[C@@H]1[C@H](C)N(CC(=O)Nc2c(F)cc(F)cc2Br)CC[N@H+]1C ZINC000536740629 565046776 /nfs/dbraw/zinc/04/67/76/565046776.db2.gz DUIKONRIXTWXSA-ZJUUUORDSA-N 1 0 376.245 2.690 20 0 GFADRO C[C@@H]1C[N@H+](C)CCN1c1ccc(Br)cc1NC(=O)[C@H](O)C1CCC1 ZINC000562937113 565048406 /nfs/dbraw/zinc/04/84/06/565048406.db2.gz ZLSWTYDPVCKNKC-SJKOYZFVSA-N 1 0 396.329 2.689 20 0 GFADRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@H](C)CC(=O)Nc1cccc(Br)c1 ZINC000536833846 565048516 /nfs/dbraw/zinc/04/85/16/565048516.db2.gz PGZBDDKPGJUETK-DFBGVHRSSA-N 1 0 382.302 2.671 20 0 GFADRO O=C(N1CC[NH+]2CCC1CC2)C1(c2ccc(I)cc2)CC1 ZINC000505107632 565048644 /nfs/dbraw/zinc/04/86/44/565048644.db2.gz JRBAQMGSTSVBOY-UHFFFAOYSA-N 1 0 396.272 2.629 20 0 GFADRO C[C@H]1C[N@H+](C)CCN1c1ccc(Br)cc1NC(=O)[C@@H](O)C1CCC1 ZINC000562937112 565048765 /nfs/dbraw/zinc/04/87/65/565048765.db2.gz ZLSWTYDPVCKNKC-SJCJKPOMSA-N 1 0 396.329 2.689 20 0 GFADRO O=C(C[C@H]1COCC[NH2+]1)N1CCCC[C@H]1Cc1cccc(Br)c1 ZINC000562980755 565050570 /nfs/dbraw/zinc/05/05/70/565050570.db2.gz KCLVDPFQSQQTKJ-IRXDYDNUSA-N 1 0 381.314 2.751 20 0 GFADRO CCOc1ccc(S(=O)(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1Br ZINC000470605937 565050746 /nfs/dbraw/zinc/05/07/46/565050746.db2.gz KYHFMLPRVMQCLY-VXGBXAGGSA-N 1 0 391.331 2.609 20 0 GFADRO CN(CCOc1ccc(C(F)(F)F)cc1)C(=O)C[N@H+](C)[C@@H]1CCSC1 ZINC000470729942 565054009 /nfs/dbraw/zinc/05/40/09/565054009.db2.gz MWHNCOHAHKJAQF-CQSZACIVSA-N 1 0 376.444 2.980 20 0 GFADRO O=S(=O)(c1cscn1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000563063041 565054198 /nfs/dbraw/zinc/05/41/98/565054198.db2.gz LYHVPQFHVOVZRC-DLBZAZTESA-N 1 0 377.535 2.818 20 0 GFADRO [NH3+]C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)c1cccc(Cl)c1Cl)C2=O ZINC000563082066 565055193 /nfs/dbraw/zinc/05/51/93/565055193.db2.gz UYXDHGZAXWYPNS-DYZYQPBXSA-N 1 0 384.263 2.616 20 0 GFADRO C[C@@H](Cn1cc(Br)cn1)[NH2+][C@H]1c2sccc2OC(C)(C)[C@@H]1O ZINC000563106293 565056021 /nfs/dbraw/zinc/05/60/21/565056021.db2.gz YCCWGKBJDPSXSE-DUFXMDAXSA-N 1 0 386.315 2.958 20 0 GFADRO C[C@@H]1C[C@H](NS(=O)(=O)Cc2cc(Cl)ccc2Br)CC[NH2+]1 ZINC000563138156 565056959 /nfs/dbraw/zinc/05/69/59/565056959.db2.gz RLNBBBHRHIESQU-BXKDBHETSA-N 1 0 381.723 2.662 20 0 GFADRO [NH3+]CCOCCN1CCC[C@@H]1c1nc(Cc2ccc(Br)cc2)no1 ZINC000563155264 565057354 /nfs/dbraw/zinc/05/73/54/565057354.db2.gz DUOKOXZUKOVUDS-OAHLLOKOSA-N 1 0 395.301 2.535 20 0 GFADRO OC[C@H](C[NH2+]C[C@H](O)COc1cc(F)cc(Br)c1)c1ccccc1 ZINC000563142791 565057387 /nfs/dbraw/zinc/05/73/87/565057387.db2.gz PBIBZSLZBXVGQX-YOEHRIQHSA-N 1 0 398.272 2.694 20 0 GFADRO O=S(=O)(c1ccc(C[NH2+]C/C=C\c2ccccc2)s1)N1CCOCC1 ZINC000537510768 565059252 /nfs/dbraw/zinc/05/92/52/565059252.db2.gz QIAUGHZEBPCWCV-DAXSKMNVSA-N 1 0 378.519 2.572 20 0 GFADRO O=S1(=O)CC[C@@H](CC[NH2+][C@@H](CO)c2ccc(Cl)cc2C(F)(F)F)C1 ZINC000684628512 565076786 /nfs/dbraw/zinc/07/67/86/565076786.db2.gz POYNMQWVQVZPBL-YGRLFVJLSA-N 1 0 385.835 2.807 20 0 GFADRO C[C@@H]1C[C@H]([NH2+]C[C@@H](O)COc2ccc(Cl)cc2Br)CCO1 ZINC000584345886 565077028 /nfs/dbraw/zinc/07/70/28/565077028.db2.gz GTDPOEDXPSPGSB-RAIGVLPGSA-N 1 0 378.694 2.999 20 0 GFADRO C[C@@]([NH3+])(C(=O)N1CCSC2(CCOCC2)C1)c1ccc(Br)cc1 ZINC000584358179 565077352 /nfs/dbraw/zinc/07/73/52/565077352.db2.gz MXWQTZVSAUWJFF-INIZCTEOSA-N 1 0 399.354 2.748 20 0 GFADRO OCC1([NH2+]Cc2cc3c(cc2Br)OCO3)Cc2ccccc2C1 ZINC000584368260 565077400 /nfs/dbraw/zinc/07/74/00/565077400.db2.gz GLQFDZFIUCXUSR-UHFFFAOYSA-N 1 0 376.250 2.797 20 0 GFADRO C[C@H](C(=O)N[C@@H](CO)c1ccc(Br)cc1C(F)(F)F)[NH+](C)C ZINC000635881777 565079545 /nfs/dbraw/zinc/07/95/45/565079545.db2.gz CPWLPJTZWXSJSU-PELKAZGASA-N 1 0 383.208 2.568 20 0 GFADRO Cc1cc(Br)cc(C(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)c1C ZINC000613790937 565080787 /nfs/dbraw/zinc/08/07/87/565080787.db2.gz WBCDVIMKMPRDRA-CYBMUJFWSA-N 1 0 383.330 2.983 20 0 GFADRO O=C(Nc1cccc(I)c1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000584457430 565081549 /nfs/dbraw/zinc/08/15/49/565081549.db2.gz ZUIMIKGTWGKLML-OAHLLOKOSA-N 1 0 385.249 2.899 20 0 GFADRO O=C(N1CC[C@H](Oc2cncc(Br)c2)C1)C12CCC[NH+](CCC1)C2 ZINC000635949407 565082913 /nfs/dbraw/zinc/08/29/13/565082913.db2.gz GCMRDBIACKOXGN-HNNXBMFYSA-N 1 0 394.313 2.700 20 0 GFADRO CC[NH+]1C[C@H](C)N(C(=O)[C@@H]2CC(=O)Nc3ccc(Br)cc32)[C@@H](C)C1 ZINC000584493205 565084179 /nfs/dbraw/zinc/08/41/79/565084179.db2.gz LIDUHRWJCNMEFI-SLEUVZQESA-N 1 0 394.313 2.816 20 0 GFADRO O=S1(=O)CC[C@@H]([NH2+][C@@H]2CCc3nc[nH]c3C2)c2cc(Br)ccc21 ZINC000584499417 565084241 /nfs/dbraw/zinc/08/42/41/565084241.db2.gz KTKMSVQDFDFOAP-DGCLKSJQSA-N 1 0 396.310 2.538 20 0 GFADRO O=C(N[C@H]1C[C@@H]([NH+]2CCCC2)C1)[C@@H]1CCO[C@H]1c1cncc(Br)c1 ZINC000636100080 565090265 /nfs/dbraw/zinc/09/02/65/565090265.db2.gz BIPXEIFWLFZVAF-TWMKSMIVSA-N 1 0 394.313 2.665 20 0 GFADRO O=C(c1ccncc1)N1CCC([NH2+]Cc2c(F)cncc2Br)CC1 ZINC000657319308 565095497 /nfs/dbraw/zinc/09/54/97/565095497.db2.gz CTLKNWQQLNZVLC-UHFFFAOYSA-N 1 0 393.260 2.773 20 0 GFADRO Brc1ccc(C[NH2+]Cc2cnc3n2CCC3)c(N2CCOCC2)c1 ZINC000657402297 565099190 /nfs/dbraw/zinc/09/91/90/565099190.db2.gz CNYQUYVNAMJUNE-UHFFFAOYSA-N 1 0 391.313 2.718 20 0 GFADRO O[C@@H]1CCCC[C@@H]1[NH+]1CCC(NCc2c(F)cncc2Br)CC1 ZINC000657401763 565099404 /nfs/dbraw/zinc/09/94/04/565099404.db2.gz XNJHFYNIBXPBOX-DLBZAZTESA-N 1 0 386.309 2.841 20 0 GFADRO Cc1c(Br)cncc1C[NH2+]Cc1ccccc1CS(C)(=O)=O ZINC000657386685 565099572 /nfs/dbraw/zinc/09/95/72/565099572.db2.gz JGDOQXRNXWJOLB-UHFFFAOYSA-N 1 0 383.311 2.987 20 0 GFADRO Cc1nccn1CCC[NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000584834334 565099781 /nfs/dbraw/zinc/09/97/81/565099781.db2.gz JUTGUNJFMLBUKL-OAHLLOKOSA-N 1 0 386.265 2.513 20 0 GFADRO Cc1ccc2c(c1Br)CN(C(=O)C(C)(C)C[NH+]1CCOCC1)C2 ZINC000636244879 565100778 /nfs/dbraw/zinc/10/07/78/565100778.db2.gz NWLJFOZDNOSFOC-UHFFFAOYSA-N 1 0 381.314 2.958 20 0 GFADRO COCCc1ccc(OC[C@@H](O)C[NH2+]Cc2cncc(Br)c2)cc1 ZINC000657531651 565105878 /nfs/dbraw/zinc/10/58/78/565105878.db2.gz NDYNHWBFUWBKMP-KRWDZBQOSA-N 1 0 395.297 2.563 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)Nc1cccc(Br)c1F ZINC000657524521 565105982 /nfs/dbraw/zinc/10/59/82/565105982.db2.gz ZRKQWHVUAHMTPN-LLVKDONJSA-N 1 0 386.265 2.517 20 0 GFADRO CO[C@@H](C[NH2+]Cc1nc(-c2cccc(Br)c2)c[nH]1)[C@H]1CCOC1 ZINC000657539809 565107520 /nfs/dbraw/zinc/10/75/20/565107520.db2.gz CICJCWDRIUUIOI-BBRMVZONSA-N 1 0 380.286 2.980 20 0 GFADRO CO[C@@H](C[NH2+]Cc1ncc(Br)cc1Br)[C@H]1CCOC1 ZINC000657540391 565107751 /nfs/dbraw/zinc/10/77/51/565107751.db2.gz HSSDRCWLOWMBFC-ZANVPECISA-N 1 0 394.107 2.748 20 0 GFADRO COC(=O)c1ccc(CN2CCN(c3cc[nH+]cc3)CC2)c(Br)c1 ZINC000585765243 565110228 /nfs/dbraw/zinc/11/02/28/565110228.db2.gz HPMZJTWCDWYSQB-UHFFFAOYSA-N 1 0 390.281 2.953 20 0 GFADRO CN(c1nnc(-c2ccc(Br)cc2)n1C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000685521344 565110806 /nfs/dbraw/zinc/11/08/06/565110806.db2.gz ZKHYJIBUBNJECU-OAHLLOKOSA-N 1 0 376.302 2.918 20 0 GFADRO O=C(Cc1ccc(Br)s1)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000614437232 565112120 /nfs/dbraw/zinc/11/21/20/565112120.db2.gz DLAGPYCOCUPQER-CYBMUJFWSA-N 1 0 387.343 2.766 20 0 GFADRO O=C(Cc1ccc(F)cc1Br)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000614435222 565112388 /nfs/dbraw/zinc/11/23/88/565112388.db2.gz BUNZSLDXFJLFEI-INIZCTEOSA-N 1 0 399.304 2.844 20 0 GFADRO O=C(Nc1cccc(Br)c1F)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000657628891 565114288 /nfs/dbraw/zinc/11/42/88/565114288.db2.gz ADBMIYDQQNIGKJ-LBPRGKRZSA-N 1 0 398.276 2.614 20 0 GFADRO Brc1ccccc1-n1cc(C[NH2+]CCCOC[C@@H]2CCOC2)nn1 ZINC000685616816 565115345 /nfs/dbraw/zinc/11/53/45/565115345.db2.gz LGLJDTCQNSKOOJ-AWEZNQCLSA-N 1 0 395.301 2.563 20 0 GFADRO C[C@H]1CC[C@H]([NH2+]CC2=Cc3cc(Br)ccc3OC2)CS1(=O)=O ZINC000657637118 565115416 /nfs/dbraw/zinc/11/54/16/565115416.db2.gz JFMGCDFKXRINKR-NHYWBVRUSA-N 1 0 386.311 2.780 20 0 GFADRO COCc1csc(C[NH2+]Cc2cc(Cl)c(OCC(N)=O)c(OC)c2)c1 ZINC000657658899 565116456 /nfs/dbraw/zinc/11/64/56/565116456.db2.gz JMSFFCDEIXOBMY-UHFFFAOYSA-N 1 0 384.885 2.710 20 0 GFADRO Cc1cc(Br)cc2c(C(=O)NC[C@H]3C[N@@H+]4CCN3CCC4)coc21 ZINC000614503443 565116465 /nfs/dbraw/zinc/11/64/65/565116465.db2.gz PEJVDTVSJRNUQQ-AWEZNQCLSA-N 1 0 392.297 2.623 20 0 GFADRO CC[NH+](CC)CCNC(=O)C(=O)Nc1cc(Cl)c(Br)cc1C ZINC000657649613 565116678 /nfs/dbraw/zinc/11/66/78/565116678.db2.gz URLINUQCUMOJOP-UHFFFAOYSA-N 1 0 390.709 2.807 20 0 GFADRO Cc1cc(Br)c(Cl)cc1NC(=O)C(=O)NCC[N@@H+](C)C(C)C ZINC000657651506 565116786 /nfs/dbraw/zinc/11/67/86/565116786.db2.gz FIDTXZAHADFZNE-UHFFFAOYSA-N 1 0 390.709 2.806 20 0 GFADRO CSc1cc(Cl)ccc1NC(=O)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000657667563 565117996 /nfs/dbraw/zinc/11/79/96/565117996.db2.gz SDKOHDOMRSLDKT-ZDUSSCGKSA-N 1 0 381.929 2.945 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH2+]C[C@@H]1CCC(=O)N1 ZINC000657711629 565122364 /nfs/dbraw/zinc/12/23/64/565122364.db2.gz GMQMEMMPBAXOPZ-AWEZNQCLSA-N 1 0 377.286 2.620 20 0 GFADRO Cc1c(F)c(Br)ccc1NC(=O)C(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000657723270 565122978 /nfs/dbraw/zinc/12/29/78/565122978.db2.gz QLVREMYJZDFDHZ-MWLCHTKSSA-N 1 0 398.276 2.577 20 0 GFADRO CSc1cc(Cl)ccc1NC(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000657737207 565124790 /nfs/dbraw/zinc/12/47/90/565124790.db2.gz JFGUPZZRKAZIBI-DOMZBBRYSA-N 1 0 381.929 2.943 20 0 GFADRO CC(C)(C)N1C[C@H](C[NH2+]Cc2cn3ccc(Br)cc3n2)CC1=O ZINC000657756088 565127857 /nfs/dbraw/zinc/12/78/57/565127857.db2.gz RHZISCIRZUBLCB-LBPRGKRZSA-N 1 0 379.302 2.833 20 0 GFADRO CSc1cc(Cl)ccc1NC(=O)C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000657858008 565133749 /nfs/dbraw/zinc/13/37/49/565133749.db2.gz FGYOFUNYQWOJRS-WFASDCNBSA-N 1 0 381.929 2.943 20 0 GFADRO CSc1cc(Cl)ccc1NC(=O)C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000657858001 565134077 /nfs/dbraw/zinc/13/40/77/565134077.db2.gz FGYOFUNYQWOJRS-DOMZBBRYSA-N 1 0 381.929 2.943 20 0 GFADRO O=C(NC[C@H]1CCCC[NH2+]1)N[C@@H](CO)c1ccc(Cl)cc1C(F)(F)F ZINC000636988472 565134092 /nfs/dbraw/zinc/13/40/92/565134092.db2.gz JUVLMCYCDLNTNY-RISCZKNCSA-N 1 0 379.810 2.834 20 0 GFADRO CSc1ccc(Cl)c(NC(=O)C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)c1 ZINC000657859030 565134121 /nfs/dbraw/zinc/13/41/21/565134121.db2.gz PEGWDTGVJHJOLE-BLLLJJGKSA-N 1 0 381.929 2.943 20 0 GFADRO COC[C@H](CC1CCOCC1)[NH2+]CCS(=O)(=O)c1ccc(Cl)cc1 ZINC000657854773 565134143 /nfs/dbraw/zinc/13/41/43/565134143.db2.gz APUXFGWDWAAYIR-INIZCTEOSA-N 1 0 375.918 2.535 20 0 GFADRO CCCN(CCC[NH+](C)C)C(=O)C(=O)Nc1cccc(Br)c1F ZINC000657883286 565135207 /nfs/dbraw/zinc/13/52/07/565135207.db2.gz AIAOWHLYRVOBJB-UHFFFAOYSA-N 1 0 388.281 2.717 20 0 GFADRO C[C@@H]([NH2+]CC1(O)CCS(=O)(=O)CC1)c1ccc(Br)c(Cl)c1 ZINC000657891800 565135877 /nfs/dbraw/zinc/13/58/77/565135877.db2.gz WNQJQTLMHAQDOL-SNVBAGLBSA-N 1 0 396.734 2.693 20 0 GFADRO CS[C@H]1CN(C(=O)c2cnc3ncc(Br)cc3c2)C[C@@H]1[NH+](C)C ZINC000614859992 565136486 /nfs/dbraw/zinc/13/64/86/565136486.db2.gz AKQUMIUXPITCJQ-KBPBESRZSA-N 1 0 395.326 2.510 20 0 GFADRO C[C@@H]([NH2+]C[C@H](O)CS(=O)(=O)c1cccs1)c1ccc(C(F)F)nc1 ZINC000657928722 565136823 /nfs/dbraw/zinc/13/68/23/565136823.db2.gz BMOMASZTVHDUPP-PWSUYJOCSA-N 1 0 376.450 2.566 20 0 GFADRO CCOc1cc(C[NH2+][C@@H]2CC(=O)N(C)C2)cc(Br)c1OC(F)F ZINC000588689637 565138727 /nfs/dbraw/zinc/13/87/27/565138727.db2.gz YVFLPJUBUXHVLU-SNVBAGLBSA-N 1 0 393.228 2.770 20 0 GFADRO NC(=O)C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000588900179 565144412 /nfs/dbraw/zinc/14/44/12/565144412.db2.gz JXTZQWVOUXWJLA-NSHDSACASA-N 1 0 375.803 2.610 20 0 GFADRO C[C@H](Cn1cncn1)[NH2+]C1CCN(Cc2cccc(Br)c2)CC1 ZINC000658038600 565146648 /nfs/dbraw/zinc/14/66/48/565146648.db2.gz QZHWFMFUJIWFMI-CQSZACIVSA-N 1 0 378.318 2.683 20 0 GFADRO COCC[N@H+](C)CCNC(=O)N(Cc1cccc(Br)c1)C(C)C ZINC000588981897 565146977 /nfs/dbraw/zinc/14/69/77/565146977.db2.gz ZEUUSHINVZRXOY-UHFFFAOYSA-N 1 0 386.334 2.947 20 0 GFADRO C[C@@H]([NH2+][C@H]1CCN(S(C)(=O)=O)C1)c1ccc(Br)c(Cl)c1 ZINC000658048426 565147775 /nfs/dbraw/zinc/14/77/75/565147775.db2.gz XIQSEUBXPSQJND-KOLCDFICSA-N 1 0 381.723 2.787 20 0 GFADRO C[C@@H]([NH2+]CCC1(CS(C)(=O)=O)CC1)c1ccc(-n2cncn2)cc1Cl ZINC000658078496 565149143 /nfs/dbraw/zinc/14/91/43/565149143.db2.gz QYNUPZHCNUBFNG-CYBMUJFWSA-N 1 0 382.917 2.786 20 0 GFADRO CC(C)[C@@H](Cc1ccc(Br)cc1)[NH2+]C[C@@]1(OCCO)CCOC1 ZINC000658146409 565153527 /nfs/dbraw/zinc/15/35/27/565153527.db2.gz UXPOECJDBWMEQK-MSOLQXFVSA-N 1 0 386.330 2.774 20 0 GFADRO COC[C@@H]([NH2+][C@H](C)Cn1cc(Br)ccc1=O)c1cccc(OC)c1 ZINC000658164400 565154786 /nfs/dbraw/zinc/15/47/86/565154786.db2.gz NRPRGQMKQWSSSY-CXAGYDPISA-N 1 0 395.297 2.985 20 0 GFADRO C[N@@H+]1CCC[C@H]1[C@H]1COCCN1C(=O)c1cn2cc(Cl)cc(Cl)c2n1 ZINC000615266553 565155484 /nfs/dbraw/zinc/15/54/84/565155484.db2.gz OCCCQFWFZDYNCA-LSDHHAIUSA-N 1 0 383.279 2.576 20 0 GFADRO Cc1cncc(CC[NH2+][C@@H]2CCS(=O)(=O)c3ccc(Br)cc32)n1 ZINC000658263313 565156864 /nfs/dbraw/zinc/15/68/64/565156864.db2.gz YBYKPAMNFUNDCM-OAHLLOKOSA-N 1 0 396.310 2.598 20 0 GFADRO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)CCNC(=O)Nc1ccc(Br)cc1 ZINC000615311744 565157139 /nfs/dbraw/zinc/15/71/39/565157139.db2.gz IXDAIVJZUVZWMZ-DOMZBBRYSA-N 1 0 397.317 2.512 20 0 GFADRO C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)CNC(=O)c1sc2ccccc2c1Cl ZINC000615314075 565157903 /nfs/dbraw/zinc/15/79/03/565157903.db2.gz QFIOFXSWIQUFFG-AAEUAGOBSA-N 1 0 379.913 2.836 20 0 GFADRO COc1c(Cl)cc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)cc1Cl ZINC000658262188 565158101 /nfs/dbraw/zinc/15/81/01/565158101.db2.gz OZMYEAUGKYLFBI-SNVBAGLBSA-N 1 0 388.295 2.930 20 0 GFADRO CN(C(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000637474195 565158724 /nfs/dbraw/zinc/15/87/24/565158724.db2.gz XRDRYEINPMXLSL-TYNCELHUSA-N 1 0 387.311 2.501 20 0 GFADRO CSC1(CNS(=O)(=O)c2c(C)ccc3ncccc32)CC[NH+](C)CC1 ZINC000589295536 565159602 /nfs/dbraw/zinc/15/96/02/565159602.db2.gz FWXHCFLKHFXREF-UHFFFAOYSA-N 1 0 379.551 2.649 20 0 GFADRO C[C@H]([NH2+]C[C@@H]1CCOC1(C)C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000658331427 565160327 /nfs/dbraw/zinc/16/03/27/565160327.db2.gz OGQTXMCWFJWMSM-JQWIXIFHSA-N 1 0 391.331 2.562 20 0 GFADRO [NH3+]C[C@@H](NS(=O)(=O)Cc1cc(F)ccc1Br)C1CCCCC1 ZINC000658366761 565162744 /nfs/dbraw/zinc/16/27/44/565162744.db2.gz DNLNGBIGCQKRCU-OAHLLOKOSA-N 1 0 393.322 2.915 20 0 GFADRO CCCOc1ccc(Br)cc1S(=O)(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000658370181 565163047 /nfs/dbraw/zinc/16/30/47/565163047.db2.gz CVOMKUZKNHHCAA-STQMWFEESA-N 1 0 391.331 2.786 20 0 GFADRO C[NH+](C)CC1CN(C(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)C1 ZINC000615512178 565163681 /nfs/dbraw/zinc/16/36/81/565163681.db2.gz CWSAVTOLKXDYIR-INIZCTEOSA-N 1 0 384.307 2.618 20 0 GFADRO CC[C@H]1CN(S(=O)(=O)c2cc(Cl)cc(Br)c2)CC[C@H]1[NH3+] ZINC000658376565 565163666 /nfs/dbraw/zinc/16/36/66/565163666.db2.gz UUQZXRJTLWYYKF-TVQRCGJNSA-N 1 0 381.723 2.850 20 0 GFADRO O=S(=O)(c1cc(Cl)ccc1OC(F)(F)F)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000658374260 565163692 /nfs/dbraw/zinc/16/36/92/565163692.db2.gz LWTMKZPRYLKMIP-GXSJLCMTSA-N 1 0 384.807 2.611 20 0 GFADRO O=S(=O)(Cc1cc(F)ccc1Br)NCCC[C@@H]1CCC[NH2+]1 ZINC000658381109 565164602 /nfs/dbraw/zinc/16/46/02/565164602.db2.gz UWUFCUQNNAQXEM-ZDUSSCGKSA-N 1 0 379.295 2.540 20 0 GFADRO [NH3+]CC12CCC(CC1)CN2S(=O)(=O)Cc1ccc(OC(F)(F)F)cc1 ZINC000658384557 565165958 /nfs/dbraw/zinc/16/59/58/565165958.db2.gz DEIAHJMXBMBSBH-UHFFFAOYSA-N 1 0 378.416 2.618 20 0 GFADRO [NH3+]CC12CC(C1)CN2S(=O)(=O)c1ccc2ccccc2c1Br ZINC000658396134 565166924 /nfs/dbraw/zinc/16/69/24/565166924.db2.gz WYLUMNAVVHKLCJ-UHFFFAOYSA-N 1 0 381.295 2.714 20 0 GFADRO Cc1c(Br)cccc1CS(=O)(=O)N1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000658398708 565167106 /nfs/dbraw/zinc/16/71/06/565167106.db2.gz CNVPENDOJZYVIV-RISCZKNCSA-N 1 0 375.332 2.647 20 0 GFADRO C[C@@H]1CCCN(S(=O)(=O)c2cccc(Br)c2)[C@@H]1CCC[NH3+] ZINC000658397519 565167273 /nfs/dbraw/zinc/16/72/73/565167273.db2.gz GJYKQBYPAVXAKZ-IUODEOHRSA-N 1 0 375.332 2.977 20 0 GFADRO C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1cc(Br)cc3c1OCCO3)C2 ZINC000615602238 565167575 /nfs/dbraw/zinc/16/75/75/565167575.db2.gz ITKMHJMBRSFLHD-GOSISDBHSA-N 1 0 395.297 2.778 20 0 GFADRO C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1COc3ccc(Br)cc31)C2 ZINC000615610352 565167638 /nfs/dbraw/zinc/16/76/38/565167638.db2.gz XSMVSJAQIMDUJC-MAUKXSAKSA-N 1 0 379.298 2.869 20 0 GFADRO O=S(=O)(N[C@H]1CC[NH2+]C2(CCC2)C1)c1ccc(OCC(F)(F)F)cc1 ZINC000658401320 565168092 /nfs/dbraw/zinc/16/80/92/565168092.db2.gz CIAKTSUHHSZKBS-LBPRGKRZSA-N 1 0 378.416 2.581 20 0 GFADRO COc1cc(Br)c(S(=O)(=O)NCC[C@@H]([NH3+])C(C)C)cc1Cl ZINC000658406192 565168462 /nfs/dbraw/zinc/16/84/62/565168462.db2.gz IDMVLWWQTBBTIH-LLVKDONJSA-N 1 0 399.738 2.763 20 0 GFADRO C[C@@H](CCNC(=O)C(=O)N[C@H](c1ccc(Cl)cc1)C(F)(F)F)[NH+](C)C ZINC000658427018 565168995 /nfs/dbraw/zinc/16/89/95/565168995.db2.gz IAKHCULVXJSIHN-GXFFZTMASA-N 1 0 379.810 2.516 20 0 GFADRO CSC1(CNC(=O)NC[C@@H](CO)c2ccc(Cl)cc2)CC[NH+](C)CC1 ZINC000589714481 565170812 /nfs/dbraw/zinc/17/08/12/565170812.db2.gz NEHTWSFRGPCUOD-HNNXBMFYSA-N 1 0 385.961 2.543 20 0 GFADRO O=C(NCc1ccc(Cl)c(Cl)c1)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000658539747 565175729 /nfs/dbraw/zinc/17/57/29/565175729.db2.gz HWYMEEBNKWCHIH-CQSZACIVSA-N 1 0 384.307 2.696 20 0 GFADRO C[N@@H+]1C[C@H]2CCN(C(=O)c3ccc(I)c(Cl)c3)[C@@H]2C1 ZINC000590043737 565176048 /nfs/dbraw/zinc/17/60/48/565176048.db2.gz DUWAPSQQBMTXHG-ZWNOBZJWSA-N 1 0 390.652 2.721 20 0 GFADRO Cc1cc(C[NH3+])oc1C(=O)NCCC(=O)Nc1cc(Br)ccc1C ZINC000637968158 565178158 /nfs/dbraw/zinc/17/81/58/565178158.db2.gz KWDUNJHCELJUBY-UHFFFAOYSA-N 1 0 394.269 2.876 20 0 GFADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H](C)Oc1ccc(Cl)c(Cl)c1 ZINC000590116940 565178282 /nfs/dbraw/zinc/17/82/82/565178282.db2.gz HGVPOAXEJBGYCR-OLZOCXBDSA-N 1 0 375.296 2.988 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NCc2ccc(Cl)c(Cl)c2)C[C@H]1C ZINC000658617842 565178893 /nfs/dbraw/zinc/17/88/93/565178893.db2.gz NNHXJACUYXKRPE-OCCSQVGLSA-N 1 0 386.323 2.941 20 0 GFADRO Cc1cc(C[NH3+])oc1C(=O)NCCC(=O)Nc1ccc(Br)cc1C ZINC000637965641 565178859 /nfs/dbraw/zinc/17/88/59/565178859.db2.gz LQODELKHYTYYCR-UHFFFAOYSA-N 1 0 394.269 2.876 20 0 GFADRO C[N@@H+](Cc1ccc(S(N)(=O)=O)s1)C[C@H]1CCCO[C@H]1c1ccccc1 ZINC000637992513 565180287 /nfs/dbraw/zinc/18/02/87/565180287.db2.gz RWOUMFSKLPSFTM-QAPCUYQASA-N 1 0 380.535 2.995 20 0 GFADRO C[C@@H](c1cccc(O)c1)[N@H+](C)Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000638065308 565183637 /nfs/dbraw/zinc/18/36/37/565183637.db2.gz RGGRFWUPCVNGQT-NSHDSACASA-N 1 0 399.310 2.995 20 0 GFADRO C[C@H](C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1c(Cl)cccc1Cl ZINC000590315900 565184406 /nfs/dbraw/zinc/18/44/06/565184406.db2.gz JZJKTRQINPNEKW-QWHCGFSZSA-N 1 0 386.323 2.801 20 0 GFADRO O=C([C@@H]1[C@@H]2Cc3cc(Br)ccc3[C@@H]21)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000638233697 565188483 /nfs/dbraw/zinc/18/84/83/565188483.db2.gz IZWBQAFTIZZGTE-SFNKJDCFSA-N 1 0 375.310 2.937 20 0 GFADRO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)c1cc(Br)ccc1Br ZINC000638223436 565189107 /nfs/dbraw/zinc/18/91/07/565189107.db2.gz BMIWNFIZIZPNKY-UWVGGRQHSA-N 1 0 394.082 2.984 20 0 GFADRO O=C(c1cc2cc(Br)ccc2s1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000638237357 565189199 /nfs/dbraw/zinc/18/91/99/565189199.db2.gz RGOCTYDBVPVECQ-AWEZNQCLSA-N 1 0 394.338 2.784 20 0 GFADRO CN1CC[C@@H]([NH2+]CCCN2CCOCC2)C[C@@H]1c1ccc(Br)cc1 ZINC000638284731 565189997 /nfs/dbraw/zinc/18/99/97/565189997.db2.gz CIYSJYLRKMPZCM-RTBURBONSA-N 1 0 396.373 2.896 20 0 GFADRO [NH3+]CC[C@H](NC(=O)[C@H]1[C@@H]2c3cccc(Br)c3C[C@H]12)C(F)(F)F ZINC000638269088 565190022 /nfs/dbraw/zinc/19/00/22/565190022.db2.gz UVZIVXITSCUWCB-FTYKPCCVSA-N 1 0 377.204 2.731 20 0 GFADRO O=C(c1cc(Br)c2nccn2c1)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000638250337 565190197 /nfs/dbraw/zinc/19/01/97/565190197.db2.gz GPFTUALDRAQVFL-UONOGXRCSA-N 1 0 391.313 2.949 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2ccc(Br)c(F)c2F)CC1 ZINC000638259656 565190210 /nfs/dbraw/zinc/19/02/10/565190210.db2.gz IZVQZAPBTGVOIV-DOMZBBRYSA-N 1 0 389.240 2.696 20 0 GFADRO CO[C@@H]1C[NH2+][C@@](C)(C(=O)N2CCC(c3cccc(Br)c3)CC2)C1 ZINC000638300925 565191048 /nfs/dbraw/zinc/19/10/48/565191048.db2.gz HTOFEZSNKGHRDR-FUHWJXTLSA-N 1 0 381.314 2.922 20 0 GFADRO [NH3+]C[C@]1(C(=O)N2CCC(Oc3cccc(Br)c3)CC2)CCCOC1 ZINC000638302816 565191236 /nfs/dbraw/zinc/19/12/36/565191236.db2.gz SQTIRGWOLIYTMZ-GOSISDBHSA-N 1 0 397.313 2.574 20 0 GFADRO C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)c1c(F)cccc1I ZINC000590566178 565191390 /nfs/dbraw/zinc/19/13/90/565191390.db2.gz GBYBLNIZWVXNHB-JOYOIKCWSA-N 1 0 376.213 2.595 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+]C[C@H](c2ccccc2Cl)N2CCCC2)s1 ZINC000638298935 565191485 /nfs/dbraw/zinc/19/14/85/565191485.db2.gz VKPXUBPNNJUUFP-MRXNPFEDSA-N 1 0 399.969 2.976 20 0 GFADRO CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)c2cc(Br)c3nccn3c2)CC1 ZINC000638352521 565192953 /nfs/dbraw/zinc/19/29/53/565192953.db2.gz LUNXEEYXIJZCCZ-OAHLLOKOSA-N 1 0 391.313 2.947 20 0 GFADRO O=C(c1cc(Br)cc2nc[nH]c21)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000638327282 565192969 /nfs/dbraw/zinc/19/29/69/565192969.db2.gz CTOKHUFUPKBEMR-ABAIWWIYSA-N 1 0 377.286 2.930 20 0 GFADRO C[C@@H]1C[C@@H](C)N(C(=O)c2ccc3cncc(Br)c3n2)C[C@@H]1C[NH3+] ZINC000638356342 565193490 /nfs/dbraw/zinc/19/34/90/565193490.db2.gz HCFNJSHJXBZEGI-WZRBSPASSA-N 1 0 377.286 2.838 20 0 GFADRO CO[C@H](C[NH2+]C[C@H]1CCN(c2ccc(Br)cc2)C1)[C@H]1CCOC1 ZINC000638407836 565194693 /nfs/dbraw/zinc/19/46/93/565194693.db2.gz XWAXLIKYWJIHRE-RVKKMQEKSA-N 1 0 383.330 2.917 20 0 GFADRO C[NH2+]C[C@@H](C)NC(=O)Nc1ccc(=O)n(Cc2ccc(Cl)c(Cl)c2)c1 ZINC000658990352 565197972 /nfs/dbraw/zinc/19/79/72/565197972.db2.gz ZZXQABBUOJNXPF-LLVKDONJSA-N 1 0 383.279 2.933 20 0 GFADRO C[NH2+]C[C@H](C)NC(=O)Nc1c(C)c(C)nn1-c1ccc(Br)cc1 ZINC000659007071 565198517 /nfs/dbraw/zinc/19/85/17/565198517.db2.gz YFNLDLKOMTWWLC-JTQLQIEISA-N 1 0 380.290 2.981 20 0 GFADRO COCC1(CNC(=O)Nc2ccc(F)c(Br)c2F)CC[NH2+]CC1 ZINC000659048088 565199137 /nfs/dbraw/zinc/19/91/37/565199137.db2.gz MXNRAGBQQNDNJE-UHFFFAOYSA-N 1 0 392.244 2.865 20 0 GFADRO CO[C@H](C[NH2+]CCC(=O)Nc1ccc(Br)cc1)C1CCOCC1 ZINC000638491348 565199429 /nfs/dbraw/zinc/19/94/29/565199429.db2.gz HLBQZJCNWFSFBE-MRXNPFEDSA-N 1 0 385.302 2.809 20 0 GFADRO Cc1ccc(Cl)cc1N1CC[C@@H](C[NH2+]Cc2ccc(S(N)(=O)=O)s2)C1 ZINC000638492141 565199478 /nfs/dbraw/zinc/19/94/78/565199478.db2.gz MIIKNZRRIIZDGQ-ZDUSSCGKSA-N 1 0 399.969 2.973 20 0 GFADRO COC[C@@]1(CNC(=O)Nc2ccc(F)c(Br)c2F)CCC[NH2+]1 ZINC000659047680 565199597 /nfs/dbraw/zinc/19/95/97/565199597.db2.gz JYHAEYKMAAUNSS-AWEZNQCLSA-N 1 0 378.217 2.617 20 0 GFADRO Cc1cc(Br)c(Cl)cc1NC(=O)C(=O)N1CC[C@H]([C@H](C)[NH3+])C1 ZINC000659081241 565200196 /nfs/dbraw/zinc/20/01/96/565200196.db2.gz DYXLAUHOYICJLB-UWVGGRQHSA-N 1 0 388.693 2.545 20 0 GFADRO Cc1cc(Br)c(Cl)cc1NC(=O)C(=O)NC1CCC([NH3+])CC1 ZINC000659074864 565200285 /nfs/dbraw/zinc/20/02/85/565200285.db2.gz QODDLHUYQILGKU-UHFFFAOYSA-N 1 0 388.693 2.736 20 0 GFADRO Cc1cc(Br)c(Cl)cc1NC(=O)C(=O)N(C)C1CC[NH2+]CC1 ZINC000659075265 565200739 /nfs/dbraw/zinc/20/07/39/565200739.db2.gz UDLKFAZYDLFYGQ-UHFFFAOYSA-N 1 0 388.693 2.560 20 0 GFADRO CC(C)Oc1cc(Br)cc(NC(=O)C(=O)NCC2([NH3+])CCCC2)c1 ZINC000659098159 565201381 /nfs/dbraw/zinc/20/13/81/565201381.db2.gz CQGIBCRIMNNVQA-UHFFFAOYSA-N 1 0 398.301 2.563 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)c2ccc(Br)cc2)CC[C@H]1C(F)(F)F ZINC000638549029 565201813 /nfs/dbraw/zinc/20/18/13/565201813.db2.gz MNIJYTVBCLLJQS-ZYHUDNBSSA-N 1 0 393.203 2.618 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)COc2ccccc2Br)CC[C@H]1C(F)(F)F ZINC000638558003 565202026 /nfs/dbraw/zinc/20/20/26/565202026.db2.gz UJBHPPKEIUYFLH-WDEREUQCSA-N 1 0 395.219 2.814 20 0 GFADRO CN(C)[C@H](C(=O)N1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1)c1cccc(Cl)c1 ZINC000638561606 565203463 /nfs/dbraw/zinc/20/34/63/565203463.db2.gz WNBUWGBKDMPQLW-CFVMTHIKSA-N 1 0 377.838 2.928 20 0 GFADRO CN(C)c1ncc(Br)cc1C(=O)Nc1ccc2c(c1)OCC[NH2+]C2 ZINC000638670588 565207201 /nfs/dbraw/zinc/20/72/01/565207201.db2.gz GBYODRRRIBGGGU-UHFFFAOYSA-N 1 0 391.269 2.644 20 0 GFADRO O=C(NCCc1ccc(Cl)cc1Cl)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000590844870 565207290 /nfs/dbraw/zinc/20/72/90/565207290.db2.gz DJRPEQLCWNSRAR-SJORKVTESA-N 1 0 386.323 2.777 20 0 GFADRO COc1nsc(CNC2CC[NH+](C[C@H]3CCOC3)CC2)c1Br ZINC000638670031 565207379 /nfs/dbraw/zinc/20/73/79/565207379.db2.gz ZUGQMOGIDIVZCB-LLVKDONJSA-N 1 0 390.347 2.505 20 0 GFADRO COc1ccc(Br)cc1[C@H]1CCCN1C(=O)[C@@H]([NH3+])COC(C)C ZINC000659253572 565209207 /nfs/dbraw/zinc/20/92/07/565209207.db2.gz QFAQRUZRNIYJKL-LSDHHAIUSA-N 1 0 385.302 2.874 20 0 GFADRO [NH3+][C@H]1CCCCCN(C(=O)c2cc(=O)c3cc(Br)ccc3[nH]2)C1 ZINC000638819735 565213308 /nfs/dbraw/zinc/21/33/08/565213308.db2.gz WYFMTQKJTZEIPZ-LBPRGKRZSA-N 1 0 378.270 2.634 20 0 GFADRO COC[C@@]1(C(=O)NCC2(Cc3ccc(Br)cc3)CC2)CC[NH2+]C1 ZINC000659359158 565214695 /nfs/dbraw/zinc/21/46/95/565214695.db2.gz OUYLBLJEKBDBOA-GOSISDBHSA-N 1 0 381.314 2.514 20 0 GFADRO Cc1c(Cl)cccc1NC(=O)CN1CCC[C@H]1C(=O)N1CCSCC1 ZINC000591083856 565215163 /nfs/dbraw/zinc/21/51/63/565215163.db2.gz CSAPXWUALNLCLL-INIZCTEOSA-N 1 0 381.929 2.627 20 0 GFADRO C[C@@H]1CCN(C(=O)c2ncc(Br)cc2Br)[C@H](C[NH3+])C1 ZINC000659378623 565215648 /nfs/dbraw/zinc/21/56/48/565215648.db2.gz MABGXYYEKAPFEU-SCZZXKLOSA-N 1 0 391.107 2.806 20 0 GFADRO [NH3+]Cc1cn([C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3cccc(Cl)c3Cl)C2)nn1 ZINC000638907811 565216412 /nfs/dbraw/zinc/21/64/12/565216412.db2.gz OSUGQQGXWHBUID-KWCYVHTRSA-N 1 0 380.279 2.621 20 0 GFADRO Cc1cc(COc2ccc(C(=O)N3C[C@@H]4C[C@H]3C[NH2+]4)cc2Br)no1 ZINC000638916972 565217524 /nfs/dbraw/zinc/21/75/24/565217524.db2.gz OEOMPGLCSYCCNB-JSGCOSHPSA-N 1 0 392.253 2.511 20 0 GFADRO CN(CC(C)(C)[NH3+])C(=O)NC[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000659443127 565217873 /nfs/dbraw/zinc/21/78/73/565217873.db2.gz OPATXJQHAJTAAX-ZDUSSCGKSA-N 1 0 383.334 2.654 20 0 GFADRO CO[C@@H](c1ccc(Br)cc1)[C@H](C)NC(=O)N1CC2CC1(C[NH3+])C2 ZINC000659478826 565218119 /nfs/dbraw/zinc/21/81/19/565218119.db2.gz USNWZWIJUCJYDV-AOUUJYHQSA-N 1 0 382.302 2.658 20 0 GFADRO CCO[C@H]1C[C@@]([NH3+])(C(=O)N[C@@H]2[C@H]3Cc4cc(Br)ccc4[C@@H]23)C1(C)C ZINC000638942214 565218691 /nfs/dbraw/zinc/21/86/91/565218691.db2.gz FBLXKRGHZAPXPA-FXZJEQNSSA-N 1 0 393.325 2.736 20 0 GFADRO O=C(Nc1cc(N2CC[NH2+]CC2)ccn1)c1c(F)cc(Br)cc1F ZINC000638988102 565220328 /nfs/dbraw/zinc/22/03/28/565220328.db2.gz RZTPVQYDFQJHSP-UHFFFAOYSA-N 1 0 397.223 2.784 20 0 GFADRO COCCN(Cc1cc(Br)cs1)C(=O)NCC1([NH3+])CCCC1 ZINC000659575272 565220341 /nfs/dbraw/zinc/22/03/41/565220341.db2.gz XCVOEKMFZZWWBB-UHFFFAOYSA-N 1 0 390.347 2.940 20 0 GFADRO O=C(NCCC1=CC[NH2+]CC1)N1CCOC[C@@H]1c1ccc(Br)cc1 ZINC000659540045 565220428 /nfs/dbraw/zinc/22/04/28/565220428.db2.gz SUZBDURZSIXYHF-QGZVFWFLSA-N 1 0 394.313 2.842 20 0 GFADRO Cn1ccnc1CN1CCC[C@@H]([NH2+]Cc2cc(Cl)cc(Cl)c2N)C1=O ZINC000638981267 565220435 /nfs/dbraw/zinc/22/04/35/565220435.db2.gz QHGVEGBDOLNNSD-CQSZACIVSA-N 1 0 382.295 2.590 20 0 GFADRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N1CCOC[C@@H]1c1ccc(Br)cc1 ZINC000659538458 565220565 /nfs/dbraw/zinc/22/05/65/565220565.db2.gz OCNILPFKXJRSIB-DAXOMENPSA-N 1 0 382.302 2.530 20 0 GFADRO [NH3+]C[C@H]1CCCN(C(=O)Nc2cc(F)c(I)c(F)c2)C1 ZINC000591284676 565220859 /nfs/dbraw/zinc/22/08/59/565220859.db2.gz FXLLPTRXUPONOI-MRVPVSSYSA-N 1 0 395.191 2.772 20 0 GFADRO COC(=O)c1cc(NC(=O)N(C)CC(C)(C)C[NH3+])c(Br)cc1F ZINC000591287222 565221170 /nfs/dbraw/zinc/22/11/70/565221170.db2.gz DPFKTSHXRJXCFV-UHFFFAOYSA-N 1 0 390.253 2.823 20 0 GFADRO CC[C@H](Cc1ccc(Br)cc1)NC(=O)N1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000659624380 565221470 /nfs/dbraw/zinc/22/14/70/565221470.db2.gz NGFIRUUKQKRJGZ-WQVCFCJDSA-N 1 0 384.318 2.528 20 0 GFADRO O=C(Nc1cc(F)c(F)cc1I)N[C@H]1CCC[NH2+]CC1 ZINC000591288152 565221987 /nfs/dbraw/zinc/22/19/87/565221987.db2.gz BFFBXSYPMSMECP-QMMMGPOBSA-N 1 0 395.191 2.833 20 0 GFADRO COC(=O)c1cc(NC(=O)N[C@H]2CCC[C@H]([NH3+])C2)c(Br)cc1F ZINC000591287281 565221995 /nfs/dbraw/zinc/22/19/95/565221995.db2.gz KMRBKJVDVAHVFK-IUCAKERBSA-N 1 0 388.237 2.766 20 0 GFADRO C[N@H+](Cc1ccc(S(N)(=O)=O)s1)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000639043971 565222050 /nfs/dbraw/zinc/22/20/50/565222050.db2.gz DBZKQKIILWJNQJ-HOCLYGCPSA-N 1 0 384.498 2.887 20 0 GFADRO COC(=O)c1c(C)c(NC(=O)N2CCC(C)([NH3+])CC2)ccc1Br ZINC000591301991 565222526 /nfs/dbraw/zinc/22/25/26/565222526.db2.gz GIHLVYNMFXJJEP-UHFFFAOYSA-N 1 0 384.274 2.889 20 0 GFADRO COC(=O)c1cc(Br)c(F)cc1NC(=O)NC[C@H]1CCCC[NH2+]1 ZINC000591298145 565222556 /nfs/dbraw/zinc/22/25/56/565222556.db2.gz ZVUZGGORMXTFPS-SECBINFHSA-N 1 0 388.237 2.638 20 0 GFADRO COC(=O)c1cc(F)c(Br)cc1NC(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000591303743 565222946 /nfs/dbraw/zinc/22/29/46/565222946.db2.gz UVEAXOQNMJOEAB-SECBINFHSA-N 1 0 388.237 2.638 20 0 GFADRO COC(=O)c1cc(F)c(Br)cc1NC(=O)NC[C@H]1CCCC[NH2+]1 ZINC000591303741 565223071 /nfs/dbraw/zinc/22/30/71/565223071.db2.gz SWVOZWDIYSYTHR-SECBINFHSA-N 1 0 388.237 2.638 20 0 GFADRO COc1ccccc1[C@H](C[NH2+]Cc1ccc(S(N)(=O)=O)s1)OC(C)C ZINC000639052686 565223105 /nfs/dbraw/zinc/22/31/05/565223105.db2.gz DSMGNCRVJQJEEE-INIZCTEOSA-N 1 0 384.523 2.660 20 0 GFADRO COc1cc(Cl)c(C[N@@H+]2CC[C@@H](C(=O)NCC(F)(F)F)C2)cc1OC ZINC000639073438 565223317 /nfs/dbraw/zinc/22/33/17/565223317.db2.gz CZAKSKGCVYSSNS-SNVBAGLBSA-N 1 0 380.794 2.858 20 0 GFADRO CS[C@@H]1CN(C(=O)c2nnc(-c3c(F)cccc3F)s2)C[C@H]1[NH+](C)C ZINC000591343900 565224938 /nfs/dbraw/zinc/22/49/38/565224938.db2.gz OLKZGTGOXVDHGN-VXGBXAGGSA-N 1 0 384.477 2.601 20 0 GFADRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(Cc2nnc(C(F)(F)F)s2)CC1 ZINC000659862485 565227042 /nfs/dbraw/zinc/22/70/42/565227042.db2.gz CURITKYXQDRQNO-STQMWFEESA-N 1 0 377.480 2.547 20 0 GFADRO C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCC[N@@H+]2Cc2ccc(S(N)(=O)=O)c(Cl)c2)C1 ZINC000639134235 565227410 /nfs/dbraw/zinc/22/74/10/565227410.db2.gz HTTYOSHHXNKMGG-IRWJRLHMSA-N 1 0 386.945 2.749 20 0 GFADRO CN1CC[C@H]([NH2+]C[C@H](CO)[C@H]2CCOC2)C[C@@H]1c1ccc(Br)cc1 ZINC000639129139 565227613 /nfs/dbraw/zinc/22/76/13/565227613.db2.gz QFZOLQXVKPVBLR-OGWHTMIXSA-N 1 0 397.357 2.819 20 0 GFADRO OC[C@]1([NH2+]Cc2cnn3cc(Br)cnc23)CCCc2ccccc21 ZINC000639137369 565229172 /nfs/dbraw/zinc/22/91/72/565229172.db2.gz XPYOKNWGYQWQKD-GOSISDBHSA-N 1 0 387.281 2.806 20 0 GFADRO C[N@H+](Cc1ccccc1)C1(CNCc2ccc(S(N)(=O)=O)s2)CCC1 ZINC000639226942 565233538 /nfs/dbraw/zinc/23/35/38/565233538.db2.gz IUGVYJMXZYVZJP-UHFFFAOYSA-N 1 0 379.551 2.540 20 0 GFADRO CC[NH+]1CCN([C@H](C)CNC(=O)CCOc2ccc(Cl)c(Cl)c2)CC1 ZINC000591638354 565234957 /nfs/dbraw/zinc/23/49/57/565234957.db2.gz DVRXYXPCWOOULM-CQSZACIVSA-N 1 0 388.339 2.905 20 0 GFADRO Cc1csc(C(=O)N[C@@H]2CC23CC[NH2+]CC3)c1I ZINC000591686000 565236282 /nfs/dbraw/zinc/23/62/82/565236282.db2.gz JBAGHUZYSRGFJH-SECBINFHSA-N 1 0 376.263 2.533 20 0 GFADRO COc1ccc(Br)cc1C(=O)CCC(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000617413356 565237181 /nfs/dbraw/zinc/23/71/81/565237181.db2.gz JLAIMZUFQOHXSM-CYBMUJFWSA-N 1 0 383.286 2.631 20 0 GFADRO CC(C)[C@H]([NH2+]Cc1cnn2cc(Br)cnc12)C1(CO)CC=CC1 ZINC000639285513 565237358 /nfs/dbraw/zinc/23/73/58/565237358.db2.gz HMFIGMQWVCUYNU-HNNXBMFYSA-N 1 0 379.302 2.935 20 0 GFADRO CN1CC[C@H]([NH2+]CC2(CC(N)=O)CC2)C[C@@H]1c1ccc(Br)cc1 ZINC000639274726 565237673 /nfs/dbraw/zinc/23/76/73/565237673.db2.gz YXDRQVFUVVKPEQ-JKSUJKDBSA-N 1 0 380.330 2.830 20 0 GFADRO CCN(C(=O)[C@@H]1CCN(c2cc(Cl)ccc2Cl)C1=O)[C@H]1CC[N@H+](C)C1 ZINC000617555721 565245729 /nfs/dbraw/zinc/24/57/29/565245729.db2.gz AOKIKVVGOAIWLP-KBPBESRZSA-N 1 0 384.307 2.899 20 0 GFADRO CC(=O)N(C)C1CC[NH+](C[C@@H](O)COc2cc(Cl)cc(Cl)c2)CC1 ZINC000639466366 565246761 /nfs/dbraw/zinc/24/67/61/565246761.db2.gz TWRSQJUNQJTBBJ-MRXNPFEDSA-N 1 0 375.296 2.676 20 0 GFADRO CC(=O)N1CC[C@H](C[N@H+](C)C[C@@H](O)COc2cc(Cl)cc(Cl)c2)C1 ZINC000639548285 565249924 /nfs/dbraw/zinc/24/99/24/565249924.db2.gz YZILYCRDHLEBPW-CZUORRHYSA-N 1 0 375.296 2.533 20 0 GFADRO O[C@@H](COc1cc(Cl)cc(Cl)c1)C[NH+]1CCC(Cn2cncn2)CC1 ZINC000639599681 565250866 /nfs/dbraw/zinc/25/08/66/565250866.db2.gz UWOPIFVGMNJLJG-MRXNPFEDSA-N 1 0 385.295 2.737 20 0 GFADRO O=C(NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1ccoc1Br ZINC000617703260 565251844 /nfs/dbraw/zinc/25/18/44/565251844.db2.gz FLDSPUUAGCTWBT-CQSZACIVSA-N 1 0 379.254 2.539 20 0 GFADRO O=C(NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1cccc(Br)c1 ZINC000617696275 565251927 /nfs/dbraw/zinc/25/19/27/565251927.db2.gz FNTHRUFPOHJXPB-SFHVURJKSA-N 1 0 389.293 2.946 20 0 GFADRO CC(=O)NCC[C@H]1CCC[N@H+](C[C@@H](O)COc2cc(Cl)cc(Cl)c2)C1 ZINC000639646084 565253997 /nfs/dbraw/zinc/25/39/97/565253997.db2.gz AWYUTIDSNNBMRP-RHSMWYFYSA-N 1 0 389.323 2.971 20 0 GFADRO CCC[N@H+](C)CC(C)(C)NS(=O)(=O)c1ccc(NC(C)=O)c(Cl)c1 ZINC000660107860 565254078 /nfs/dbraw/zinc/25/40/78/565254078.db2.gz QZYLYFYCEMCUNL-UHFFFAOYSA-N 1 0 375.922 2.697 20 0 GFADRO O[C@H](COc1cc(Cl)cc(Cl)c1)C[N@@H+]1C[C@H](O)C[C@H]1[C@H]1CCCOC1 ZINC000639659857 565254177 /nfs/dbraw/zinc/25/41/77/565254177.db2.gz SYZXDCKYIVZELQ-AWOKKLPBSA-N 1 0 390.307 2.595 20 0 GFADRO COCC[N@@H+]1CCC[C@@H](NC(=O)c2[nH]c3ccccc3c2Br)C1 ZINC000592092771 565256012 /nfs/dbraw/zinc/25/60/12/565256012.db2.gz BITJDIBMXGSKRU-GFCCVEGCSA-N 1 0 380.286 2.771 20 0 GFADRO CN(CCC[NH+](C)C)CCNC(=O)c1cc2c(Br)cccc2cn1 ZINC000617763130 565256687 /nfs/dbraw/zinc/25/66/87/565256687.db2.gz GENDNMAZFFQBQL-UHFFFAOYSA-N 1 0 393.329 2.611 20 0 GFADRO COCC[N@@H+]1CCC[C@H](NC(=O)CCc2ccc(OC)c(Br)c2)C1 ZINC000592102727 565257224 /nfs/dbraw/zinc/25/72/24/565257224.db2.gz INVCPUKZZGLKFA-HNNXBMFYSA-N 1 0 399.329 2.617 20 0 GFADRO COc1cc(C[NH2+][C@@H]([C@H]2CCCO2)C2(CO)CCC2)c(Br)cn1 ZINC000639768049 565258486 /nfs/dbraw/zinc/25/84/86/565258486.db2.gz RBYCCFOEHRPCII-ZBFHGGJFSA-N 1 0 385.302 2.653 20 0 GFADRO Cc1cc(CCC(=O)NCCN(C)CCC[NH+](C)C)ccc1Br ZINC000617766011 565258417 /nfs/dbraw/zinc/25/84/17/565258417.db2.gz ZBTFAZXGLHBFOM-UHFFFAOYSA-N 1 0 384.362 2.690 20 0 GFADRO CN(Cc1ccc(Cl)s1)C(=O)C[NH2+][C@@H]([C@@H]1CCCO1)C1(CO)CCC1 ZINC000639768141 565258529 /nfs/dbraw/zinc/25/85/29/565258529.db2.gz ANRKKLAMIGXUDZ-YOEHRIQHSA-N 1 0 386.945 2.660 20 0 GFADRO CN(CCC[NH+](C)C)CCNC(=O)Cc1cc(Cl)ccc1Br ZINC000617765663 565258762 /nfs/dbraw/zinc/25/87/62/565258762.db2.gz LJCACRWPZKXEDM-UHFFFAOYSA-N 1 0 390.753 2.645 20 0 GFADRO COC(=O)[C@@H]1C[N@@H+]([C@@H](C)C(=O)N(C)Cc2ccc(Br)cc2)C[C@H]1C ZINC000592130001 565259056 /nfs/dbraw/zinc/25/90/56/565259056.db2.gz PEWNAKOLPDBJEP-DVOMOZLQSA-N 1 0 397.313 2.537 20 0 GFADRO CN(CCC[NH+]1CCN(C)CC1)Cc1ncc(Br)cc1Cl ZINC000660144975 565259447 /nfs/dbraw/zinc/25/94/47/565259447.db2.gz KHXUYVKRUWVPCB-UHFFFAOYSA-N 1 0 375.742 2.567 20 0 GFADRO CC(=O)c1nc(CC[N@@H+]2CC[C@@H](Oc3cncc(Br)c3)C2)[nH]c1C ZINC000639771353 565259951 /nfs/dbraw/zinc/25/99/51/565259951.db2.gz BTVRUIQQEAUYQD-CQSZACIVSA-N 1 0 393.285 2.774 20 0 GFADRO O=C(CC[N@H+]1CC[C@@H](Oc2cncc(Br)c2)C1)N1CCCCC1 ZINC000639773392 565260228 /nfs/dbraw/zinc/26/02/28/565260228.db2.gz OSDXRCJNACBBNA-OAHLLOKOSA-N 1 0 382.302 2.700 20 0 GFADRO NC(=O)c1cccc(C[N@@H+]2CC[C@@H](Oc3cncc(Br)c3)C2)c1 ZINC000639771473 565260270 /nfs/dbraw/zinc/26/02/70/565260270.db2.gz CHOUVDOEGLMXMR-OAHLLOKOSA-N 1 0 376.254 2.596 20 0 GFADRO C[NH+](C)C[C@@H]1COC2(CCCC2)CN1S(=O)(=O)c1cc(Cl)ccc1F ZINC000660151924 565260721 /nfs/dbraw/zinc/26/07/21/565260721.db2.gz XSSCXTAWGXJAES-CQSZACIVSA-N 1 0 390.908 2.743 20 0 GFADRO COC[C@H]([NH2+]C[C@H](O)COc1cc(Cl)cc(Cl)c1)C1CCOCC1 ZINC000639784156 565262115 /nfs/dbraw/zinc/26/21/15/565262115.db2.gz JKQQULODPBFSAA-RDJZCZTQSA-N 1 0 378.296 2.764 20 0 GFADRO CNS(=O)(=O)c1ccc(C[NH2+][C@@H]2CCO[C@H]2c2ccc(Cl)cc2)cc1 ZINC000639908018 565267005 /nfs/dbraw/zinc/26/70/05/565267005.db2.gz ZHLPTYXZDVKWPY-MSOLQXFVSA-N 1 0 380.897 2.868 20 0 GFADRO CCN(C(=O)c1c2ccc(Br)cc2nn1C)[C@H]1CC[N@H+](CC)C1 ZINC000617922625 565267303 /nfs/dbraw/zinc/26/73/03/565267303.db2.gz PDKZPHDNMMHWDJ-ZDUSSCGKSA-N 1 0 379.302 2.892 20 0 GFADRO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)CSCc1ccc(Br)cc1F ZINC000592334924 565269875 /nfs/dbraw/zinc/26/98/75/565269875.db2.gz JRRYDRCEXHLRAO-STQMWFEESA-N 1 0 393.297 2.980 20 0 GFADRO C[C@H]1CC[C@](CO)([N@H+](C)CC(=O)c2c[nH]c3ncc(Br)cc23)C1 ZINC000660335816 565270799 /nfs/dbraw/zinc/27/07/99/565270799.db2.gz KMQYCDSZLGQUON-GTNSWQLSSA-N 1 0 380.286 2.991 20 0 GFADRO CC[C@@H](Cc1ccccc1Br)[N@H+](C)CCN1C(=O)CN(C)C1=O ZINC000660319130 565271379 /nfs/dbraw/zinc/27/13/79/565271379.db2.gz REHCJXZGZLYPAS-AWEZNQCLSA-N 1 0 382.302 2.596 20 0 GFADRO Cc1ncc([C@@H](C)[NH2+]CC(=O)Nc2cc(Cl)ccc2-n2cncn2)s1 ZINC000639996420 565273106 /nfs/dbraw/zinc/27/31/06/565273106.db2.gz YKSAEIJJOBZFFP-SNVBAGLBSA-N 1 0 376.873 2.975 20 0 GFADRO O=c1cc(C[N@H+]2CC[C@H](O)[C@@H]3CCCC[C@@H]32)nc2ccc(Br)cn12 ZINC000640097732 565278125 /nfs/dbraw/zinc/27/81/25/565278125.db2.gz MHUZKTVWXKQFDX-PMPSAXMXSA-N 1 0 392.297 2.582 20 0 GFADRO Cc1nn(C)c(NC(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)c1Br ZINC000640162536 565281848 /nfs/dbraw/zinc/28/18/48/565281848.db2.gz QUINAWFSRQCCPJ-CQSZACIVSA-N 1 0 394.317 2.785 20 0 GFADRO Cc1nn(C)c(NC(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)c1Br ZINC000640165245 565282658 /nfs/dbraw/zinc/28/26/58/565282658.db2.gz IFDMXDCECHABLN-ZDUSSCGKSA-N 1 0 384.322 2.687 20 0 GFADRO COCC[N@@H+]1CC[C@@H](NC(=O)N2Cc3ccc(C)c(Br)c3C2)C1 ZINC000660704562 565289033 /nfs/dbraw/zinc/28/90/33/565289033.db2.gz AAFWTJFNDXLPBN-CQSZACIVSA-N 1 0 382.302 2.503 20 0 GFADRO O=C(Nc1nn(CC(F)(F)F)cc1Cl)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000640292041 565293880 /nfs/dbraw/zinc/29/38/80/565293880.db2.gz HEGAOBDWVROGDF-LLVKDONJSA-N 1 0 379.814 3.191 20 0 GFADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N1CC[C@@H]1c1ccc(Br)cc1 ZINC000660853956 565297072 /nfs/dbraw/zinc/29/70/72/565297072.db2.gz KWEBGCIFGNHJQA-WMLDXEAASA-N 1 0 395.345 2.541 20 0 GFADRO Cn1cc(Br)c(NC(=O)N2CCC[N@H+](CC3CCCCC3)CC2)n1 ZINC000640308233 565297934 /nfs/dbraw/zinc/29/79/34/565297934.db2.gz FJBVSEFOOZRVFQ-UHFFFAOYSA-N 1 0 398.349 3.303 20 0 GFADRO CN(CC[NH+]1CCCCC1)C(=O)Nc1nnc(C(F)(F)C(F)(F)F)s1 ZINC000640386433 565306904 /nfs/dbraw/zinc/30/69/04/565306904.db2.gz GTNSHQSZIPVGEC-UHFFFAOYSA-N 1 0 387.378 3.142 20 0 GFADRO CC1(CNC(=O)N2CCOc3ccc(Br)cc3C2)CC[NH2+]CC1 ZINC000640491699 565311000 /nfs/dbraw/zinc/31/10/00/565311000.db2.gz RTOBPJMPSXNRMD-UHFFFAOYSA-N 1 0 382.302 2.743 20 0 GFADRO C[C@H](NC(=O)NCC1CC[NH+](CC2CC2)CC1)c1ncc(Br)cn1 ZINC000661233596 565314831 /nfs/dbraw/zinc/31/48/31/565314831.db2.gz BWZFSYRWQQHIED-LBPRGKRZSA-N 1 0 396.333 2.721 20 0 GFADRO C[NH+](C)Cc1ccnc(NC(=O)N[C@H](CO)c2cccc(Br)c2)c1 ZINC000640565832 565316662 /nfs/dbraw/zinc/31/66/62/565316662.db2.gz XKTDKGHUOBACRB-OAHLLOKOSA-N 1 0 393.285 2.761 20 0 GFADRO C[C@H](CO)[C@@H]1CCCC[N@@H+]1CC(=O)c1c[nH]c2ncc(Br)cc12 ZINC000661440407 565323648 /nfs/dbraw/zinc/32/36/48/565323648.db2.gz HGRDAUXMMUHOSG-ABAIWWIYSA-N 1 0 380.286 2.991 20 0 GFADRO [NH3+]CCCCc1cn(CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)nn1 ZINC000640761094 565325777 /nfs/dbraw/zinc/32/57/77/565325777.db2.gz OHTWVQQOZFNBHZ-UHFFFAOYSA-N 1 0 375.782 2.870 20 0 GFADRO C[C@H](C(=O)Nc1cccc(Cl)c1Cl)n1cc(CN(C)CCC[NH3+])nn1 ZINC000640781603 565326598 /nfs/dbraw/zinc/32/65/98/565326598.db2.gz NMFLUHYLBOHTNY-LLVKDONJSA-N 1 0 385.299 2.565 20 0 GFADRO C[C@H](C(=O)Nc1cccc(Cl)c1Cl)n1cc([C@H]([NH3+])[C@@H]2CCCO2)nn1 ZINC000640782606 565326753 /nfs/dbraw/zinc/32/67/53/565326753.db2.gz VQIOVQXZJGIOFC-DVJZZOLTSA-N 1 0 384.267 2.963 20 0 GFADRO COCC[C@H]([NH3+])Cc1cn([C@@H](C)C(=O)Nc2ccc(Cl)cc2Cl)nn1 ZINC000640782068 565326999 /nfs/dbraw/zinc/32/69/99/565326999.db2.gz KPRKSUMVTOGJME-JQWIXIFHSA-N 1 0 386.283 2.691 20 0 GFADRO CCC[C@H](C)NC(=O)[C@H](C)n1cc([C@H]([NH3+])c2ccc(Br)cc2)nn1 ZINC000640909345 565336503 /nfs/dbraw/zinc/33/65/03/565336503.db2.gz PUSNFFHMVLVCDE-MQIPJXDCSA-N 1 0 394.317 2.955 20 0 GFADRO CC(C)Cc1noc(Cn2cc([C@@H]([NH3+])c3ccc(Br)cc3)nn2)n1 ZINC000640916762 565337231 /nfs/dbraw/zinc/33/72/31/565337231.db2.gz CLZRMYZBICXHDN-INIZCTEOSA-N 1 0 391.273 2.719 20 0 GFADRO CN(Cc1ccccc1Br)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000661972656 565343378 /nfs/dbraw/zinc/34/33/78/565343378.db2.gz KMMBRWAXLZXNJC-INIZCTEOSA-N 1 0 396.329 2.844 20 0 GFADRO O=C(N[C@@H]1CCC[NH2+]CC1)N1CCO[C@@H](c2cccc(Br)c2)C1 ZINC000641053220 565343827 /nfs/dbraw/zinc/34/38/27/565343827.db2.gz QSKUVYJQYBXZQN-HZPDHXFCSA-N 1 0 382.302 2.674 20 0 GFADRO [NH3+][C@@H](c1cn(Cc2nc(C3CCC3)no2)nn1)c1ccc(Br)cc1 ZINC000641067747 565344915 /nfs/dbraw/zinc/34/49/15/565344915.db2.gz YGVBBNHPKQEBGA-OAHLLOKOSA-N 1 0 389.257 2.788 20 0 GFADRO Brc1ccccc1-c1cnc(Cn2cc(C[C@@H]3CC[NH2+]C3)nn2)o1 ZINC000641063590 565345230 /nfs/dbraw/zinc/34/52/30/565345230.db2.gz JEABQGJVECAUMB-LBPRGKRZSA-N 1 0 388.269 2.896 20 0 GFADRO CC(C)(C)N1CC[C@@H](n2cc([C@H]([NH3+])c3ccc(Br)cc3)nn2)C1=O ZINC000641107427 565346131 /nfs/dbraw/zinc/34/61/31/565346131.db2.gz SEZPSEPIIVZKPB-HUUCEWRRSA-N 1 0 392.301 2.661 20 0 GFADRO [NH3+][C@@H](c1cn(Cc2cc(Br)cc(F)c2F)nn1)C1CCOCC1 ZINC000641119818 565347108 /nfs/dbraw/zinc/34/71/08/565347108.db2.gz XYGHWEDFGMWQEB-OAHLLOKOSA-N 1 0 387.228 2.794 20 0 GFADRO CC[NH2+]Cc1ccn(Cc2cn(Cc3cc(F)cc(Br)c3)nn2)n1 ZINC000641123754 565348225 /nfs/dbraw/zinc/34/82/25/565348225.db2.gz PRMOQOBFAPMGKS-UHFFFAOYSA-N 1 0 393.264 2.582 20 0 GFADRO CC(C)N(C)C(=O)[C@@H](C)n1cc([C@H]([NH3+])c2ccc(Br)cc2)nn1 ZINC000641126210 565348285 /nfs/dbraw/zinc/34/82/85/565348285.db2.gz JPVGQINJLAYLSO-IAQYHMDHSA-N 1 0 380.290 2.517 20 0 GFADRO O=C1CCCN1C[C@H]1CC[N@@H+](C[C@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000662062341 565349158 /nfs/dbraw/zinc/34/91/58/565349158.db2.gz NVYFUWPOELDKNT-KBPBESRZSA-N 1 0 387.307 2.677 20 0 GFADRO C[C@@H](c1cc(Cl)ccc1Cl)n1cc(CNC(=O)C2CC[NH2+]CC2)nn1 ZINC000641133867 565349439 /nfs/dbraw/zinc/34/94/39/565349439.db2.gz ZNZKYYGORROVIN-NSHDSACASA-N 1 0 382.295 2.810 20 0 GFADRO CCOC(=O)C(C)(C)CCC[C@@H](C)[NH2+]C[C@@H]1CCCCN1S(C)(=O)=O ZINC000593626852 565349666 /nfs/dbraw/zinc/34/96/66/565349666.db2.gz HOOXEYATAWDNKU-CVEARBPZSA-N 1 0 376.563 2.538 20 0 GFADRO COc1ncc(Br)cc1CN1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000662279946 565357612 /nfs/dbraw/zinc/35/76/12/565357612.db2.gz BGIYWHWNPHIYCT-JKSUJKDBSA-N 1 0 384.318 2.571 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CN(Cc2cccc(OCC(F)(F)F)c2Br)CCO1 ZINC000662248111 565357900 /nfs/dbraw/zinc/35/79/00/565357900.db2.gz UBKFAVRPLPERSL-MFKMUULPSA-N 1 0 397.235 2.938 20 0 GFADRO COc1cc(CS(=O)(=O)NCc2ccccc2C[N@H+](C)C(C)C)sn1 ZINC000641277551 565358097 /nfs/dbraw/zinc/35/80/97/565358097.db2.gz OOFKPMOHUYOLEL-UHFFFAOYSA-N 1 0 383.539 2.612 20 0 GFADRO CN(Cc1nc(-c2ccc(Br)s2)no1)[C@@H](C[NH3+])C(F)(F)F ZINC000662329105 565360234 /nfs/dbraw/zinc/36/02/34/565360234.db2.gz IWQOHWSYWLPPLH-ZETCQYMHSA-N 1 0 385.209 2.882 20 0 GFADRO O=C(N[C@@H]1CCc2[nH]cnc2C1)N1CCc2sc(Br)cc2C1 ZINC000641303429 565360620 /nfs/dbraw/zinc/36/06/20/565360620.db2.gz BRKLNCHGNWSUKB-SNVBAGLBSA-N 1 0 381.299 2.859 20 0 GFADRO C[NH2+]C[C@](C)(O)CN1CCc2cc(Br)c(Br)cc2C1 ZINC000662316637 565361047 /nfs/dbraw/zinc/36/10/47/565361047.db2.gz KXAVIJVIVQEFMG-AWEZNQCLSA-N 1 0 392.135 2.540 20 0 GFADRO CCC[N@@H+]1CC[C@H](NC(=O)CCNC(=O)Nc2ccc(Br)cc2)C1 ZINC000619893842 565362183 /nfs/dbraw/zinc/36/21/83/565362183.db2.gz LIKCCDBYWIKUPP-HNNXBMFYSA-N 1 0 397.317 2.561 20 0 GFADRO CCC[N@@H+]1CC[C@H](NC(=O)c2cc(=O)c3cc(Br)ccc3[nH]2)C1 ZINC000619899302 565362290 /nfs/dbraw/zinc/36/22/90/565362290.db2.gz LWAAOGNECHFNAG-LBPRGKRZSA-N 1 0 378.270 2.505 20 0 GFADRO Cc1ccc(NC(=O)[C@H](C)N(C)[C@H](C[NH3+])C(F)(F)F)c(Br)c1 ZINC000662332317 565362344 /nfs/dbraw/zinc/36/23/44/565362344.db2.gz WBZYSWYJVBPDPQ-JOYOIKCWSA-N 1 0 382.224 2.906 20 0 GFADRO [NH3+]C1(CNC(=O)[C@@H]2CCO[C@H]2c2cncc(Br)c2)CCCCC1 ZINC000662393031 565365188 /nfs/dbraw/zinc/36/51/88/565365188.db2.gz MWAGAEIMOQTTFZ-CABCVRRESA-N 1 0 382.302 2.700 20 0 GFADRO CC(C)C[C@H](C[NH3+])CC(=O)NCCC(=O)Nc1ccc(Br)cc1 ZINC000662401893 565365985 /nfs/dbraw/zinc/36/59/85/565365985.db2.gz SYAJUZDDJPTINQ-ZDUSSCGKSA-N 1 0 384.318 2.905 20 0 GFADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)[C@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000593897621 565366096 /nfs/dbraw/zinc/36/60/96/565366096.db2.gz GLFAJIRMNUMDOS-WWGRRREGSA-N 1 0 384.307 2.553 20 0 GFADRO CN(CC[NH+]1CCCCC1)C(=O)c1csc(I)c1 ZINC000593884874 565366177 /nfs/dbraw/zinc/36/61/77/565366177.db2.gz XVHONKKYYRUNRV-UHFFFAOYSA-N 1 0 378.279 2.911 20 0 GFADRO CC[C@@H]([NH3+])c1cn(Cc2ccc(I)c(Cl)c2)nn1 ZINC000594655641 565404509 /nfs/dbraw/zinc/40/45/09/565404509.db2.gz PDZFJFAPMVYISM-LLVKDONJSA-N 1 0 376.629 2.994 20 0 GFADRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@@H](N)c1ccccc1Br ZINC000662405979 565366422 /nfs/dbraw/zinc/36/64/22/565366422.db2.gz BSHVEPIAWFZQTD-OEUWWYETSA-N 1 0 382.346 2.932 20 0 GFADRO CN(CC[NH+]1CCCCC1)C(=O)c1cccc(F)c1I ZINC000593884656 565366600 /nfs/dbraw/zinc/36/66/00/565366600.db2.gz VSDPZVJBBJCKLL-UHFFFAOYSA-N 1 0 390.240 2.988 20 0 GFADRO O=C(NCCC1CC[NH2+]CC1)c1ccc(I)c(F)c1 ZINC000593918416 565367306 /nfs/dbraw/zinc/36/73/06/565367306.db2.gz CUMFNPNWPYFLOV-UHFFFAOYSA-N 1 0 376.213 2.550 20 0 GFADRO COCC[N@@H+]1CC[C@H](NC(=O)C2(c3ccc(Br)cc3)CCC2)C1 ZINC000593908983 565367786 /nfs/dbraw/zinc/36/77/86/565367786.db2.gz GUIAELRMZUCIHP-INIZCTEOSA-N 1 0 381.314 2.708 20 0 GFADRO C[C@H]1C[C@@H]([NH3+])CCN1C(=O)c1ccc(I)cc1Cl ZINC000593930382 565368491 /nfs/dbraw/zinc/36/84/91/565368491.db2.gz GFKKJQPKVOEIIL-WPRPVWTQSA-N 1 0 378.641 2.896 20 0 GFADRO COc1cc(CS(=O)(=O)N[C@@H](C)[C@H](c2ccccc2C)[NH+](C)C)sn1 ZINC000641451489 565373261 /nfs/dbraw/zinc/37/32/61/565373261.db2.gz KGVZJSWDAGVCTO-SUMWQHHRSA-N 1 0 383.539 2.571 20 0 GFADRO O=C(c1cc(-c2ccc(Br)cc2)no1)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000662519641 565373568 /nfs/dbraw/zinc/37/35/68/565373568.db2.gz TXMRLRVNWGOBKV-DOMZBBRYSA-N 1 0 376.254 2.928 20 0 GFADRO CCCNC(=O)c1ccc(NC(=O)[C@@]2(C(F)(F)F)CC[NH2+]C2)cc1Cl ZINC000662528719 565375065 /nfs/dbraw/zinc/37/50/65/565375065.db2.gz WESZRBIOLZNJGI-OAHLLOKOSA-N 1 0 377.794 2.960 20 0 GFADRO N[C@H](C(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1)c1ccccc1Br ZINC000662523350 565375102 /nfs/dbraw/zinc/37/51/02/565375102.db2.gz PWQPZVXDMVBIES-VBQJREDUSA-N 1 0 380.330 2.687 20 0 GFADRO O=C(NCCc1cc(Cl)cc(Cl)c1)c1cn([C@@H]2CCC[NH2+]CC2)nn1 ZINC000662536105 565376265 /nfs/dbraw/zinc/37/62/65/565376265.db2.gz SBLVHBSCNAIXLO-OAHLLOKOSA-N 1 0 382.295 2.872 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)[C@H]1[NH2+]CCC1(C)C ZINC000662553149 565376940 /nfs/dbraw/zinc/37/69/40/565376940.db2.gz LMVZKFLQMICRHZ-OAHLLOKOSA-N 1 0 382.302 2.590 20 0 GFADRO Cc1c(Br)cncc1C(=O)N1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000662574169 565377092 /nfs/dbraw/zinc/37/70/92/565377092.db2.gz IXNDCWXAOLVODS-CVEARBPZSA-N 1 0 382.302 2.511 20 0 GFADRO O=C(N1CCc2c(Br)cccc2C1)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662555244 565377412 /nfs/dbraw/zinc/37/74/12/565377412.db2.gz UHCOVWRMQKVMGS-AWEZNQCLSA-N 1 0 377.204 2.876 20 0 GFADRO N[C@H](C(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1)c1ccccc1Br ZINC000662590434 565377885 /nfs/dbraw/zinc/37/78/85/565377885.db2.gz MKRHMFMDXIIROC-PBHICJAKSA-N 1 0 380.330 2.687 20 0 GFADRO CCO[C@@H]1CN(C(=O)c2cc(-c3cccc(Br)c3)no2)C[C@H]1C[NH3+] ZINC000662582703 565377947 /nfs/dbraw/zinc/37/79/47/565377947.db2.gz RQNCNNXJCLGOEW-MLGOLLRUSA-N 1 0 394.269 2.540 20 0 GFADRO CC1(C)CC[NH2+][C@H]1C(=O)NC[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000662696784 565381771 /nfs/dbraw/zinc/38/17/71/565381771.db2.gz UYZCUZDWYFKBKS-BBRMVZONSA-N 1 0 380.330 2.780 20 0 GFADRO CC[NH2+][C@H](C)CNC(=O)N1CCc2[nH]c3ccc(Br)cc3c2C1 ZINC000641540428 565381838 /nfs/dbraw/zinc/38/18/38/565381838.db2.gz UAYBXHVSEQJZRB-LLVKDONJSA-N 1 0 379.302 2.996 20 0 GFADRO [NH3+]CC12CC(C1)CN2C(=O)CCc1nc2cc(Br)ccc2s1 ZINC000662678296 565382327 /nfs/dbraw/zinc/38/23/27/565382327.db2.gz DJINMPWLSREFCO-UHFFFAOYSA-N 1 0 380.311 2.941 20 0 GFADRO CC(C)[C@H]([NH3+])CCNC(=O)c1nn(-c2ccc(F)cc2)cc1Br ZINC000662732267 565383122 /nfs/dbraw/zinc/38/31/22/565383122.db2.gz QMNNPGZAPLJLAP-CQSZACIVSA-N 1 0 383.265 2.877 20 0 GFADRO CCc1ccc([C@H]2C[NH2+]CCN2C(=O)c2nn(C)cc2Br)cc1 ZINC000662771767 565384478 /nfs/dbraw/zinc/38/44/78/565384478.db2.gz AVNAFQPPGSYSJL-OAHLLOKOSA-N 1 0 377.286 2.532 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)[C@@H]3CCO[C@H]3c3cncc(Br)c3)C[C@@H]21 ZINC000662765427 565384847 /nfs/dbraw/zinc/38/48/47/565384847.db2.gz GECPEOUPDMWOKJ-UFRBAHOGSA-N 1 0 394.313 2.508 20 0 GFADRO O=C(c1cccc(Br)c1Cl)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000620480456 565385275 /nfs/dbraw/zinc/38/52/75/565385275.db2.gz DDWWITONRWTZOR-LBPRGKRZSA-N 1 0 387.705 2.774 20 0 GFADRO Cc1ccc(Br)cc1CNC(=O)c1cn([C@@H]2CCC[NH2+]CC2)nn1 ZINC000662801748 565385446 /nfs/dbraw/zinc/38/54/46/565385446.db2.gz KXBHYVRYRMHIQY-OAHLLOKOSA-N 1 0 392.301 2.594 20 0 GFADRO O=C(N[C@H]1COc2cc(F)c(Br)cc21)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662811095 565385754 /nfs/dbraw/zinc/38/57/54/565385754.db2.gz GUVIVQOOUDAQPJ-GXFFZTMASA-N 1 0 397.166 2.680 20 0 GFADRO Cc1cc(C(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)c(C)cc1Br ZINC000620480926 565386281 /nfs/dbraw/zinc/38/62/81/565386281.db2.gz MOZNUZBGDCYFOG-OAHLLOKOSA-N 1 0 381.314 2.737 20 0 GFADRO C[C@@H](C[NH+](C)C)[C@@H]1CCCCN1S(=O)(=O)c1cccnc1C(F)(F)F ZINC000641622901 565386604 /nfs/dbraw/zinc/38/66/04/565386604.db2.gz DOSXLVWUHADFSY-STQMWFEESA-N 1 0 379.448 2.841 20 0 GFADRO [NH3+]CC12CCC(CC1)CN2C(=O)c1cc(Br)cc2c1OCCO2 ZINC000662826651 565386689 /nfs/dbraw/zinc/38/66/89/565386689.db2.gz KKZFUTJZXOJPNA-UHFFFAOYSA-N 1 0 381.270 2.564 20 0 GFADRO [NH3+]C[C@H]1OCC[C@@H]1C(=O)N1CCN(c2cc(Cl)c(Cl)c(Cl)c2)CC1 ZINC000662834114 565387625 /nfs/dbraw/zinc/38/76/25/565387625.db2.gz YNACHAZKJYDWCI-SMDDNHRTSA-N 1 0 392.714 2.659 20 0 GFADRO O=C(Nc1ccc(OC(F)(F)F)cc1Cl)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O ZINC000663007212 565392171 /nfs/dbraw/zinc/39/21/71/565392171.db2.gz FEOBKFNXAUZCTL-PBINXNQUSA-N 1 0 376.762 2.992 20 0 GFADRO CC(=O)NC[C@H]1CCC[N@H+](C[C@@H](O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000620807935 565398636 /nfs/dbraw/zinc/39/86/36/565398636.db2.gz FAUNMGBKGVQYEM-ZIAGYGMSSA-N 1 0 375.296 2.581 20 0 GFADRO C[C@@H](Oc1ccc(F)cc1Br)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000594649676 565403137 /nfs/dbraw/zinc/40/31/37/565403137.db2.gz ZNMXWGBVFHLYDP-RISCZKNCSA-N 1 0 385.277 2.956 20 0 GFADRO C[C@H](NC(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1)c1cc(F)c(Cl)cc1Cl ZINC000642096209 565405731 /nfs/dbraw/zinc/40/57/31/565405731.db2.gz QTMXCGUEFLMFDU-AMJWSMQMSA-N 1 0 388.270 2.520 20 0 GFADRO O=C(NC[C@@H]1CCC[N@H+](CC2CC2)C1)c1[nH]nc(C2CC2)c1Br ZINC000621104292 565405779 /nfs/dbraw/zinc/40/57/79/565405779.db2.gz VOGMJNAULHNUDK-LBPRGKRZSA-N 1 0 381.318 2.901 20 0 GFADRO CN([C@H](C[NH3+])C(F)(F)F)S(=O)(=O)c1ccc(Cl)cc1Br ZINC000663309426 565411253 /nfs/dbraw/zinc/41/12/53/565411253.db2.gz CGGDXJDXVAOPMX-SECBINFHSA-N 1 0 395.628 2.613 20 0 GFADRO COc1cc(CN2CCC[C@H]2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c(Br)cn1 ZINC000621250614 565411949 /nfs/dbraw/zinc/41/19/49/565411949.db2.gz IPJQVVSUJVENOW-LZWOXQAQSA-N 1 0 398.345 2.926 20 0 GFADRO C[NH+](C)C1CCN(CCN=c2[nH]c3c(cccc3Br)s2)CC1 ZINC000621275543 565414777 /nfs/dbraw/zinc/41/47/77/565414777.db2.gz ZLCLYCOEZMVWOA-UHFFFAOYSA-N 1 0 383.359 2.919 20 0 GFADRO O[C@@H](C[NH2+]C1CCN([C@H]2CCOC2)CC1)COc1c(Cl)cccc1Cl ZINC000663364500 565415090 /nfs/dbraw/zinc/41/50/90/565415090.db2.gz ROVBIJDRVPYSBG-GJZGRUSLSA-N 1 0 389.323 2.576 20 0 GFADRO O[C@H](C[NH2+]C1CCN([C@@H]2CCOC2)CC1)COc1cc(Cl)ccc1Cl ZINC000663362914 565415253 /nfs/dbraw/zinc/41/52/53/565415253.db2.gz FNFWKPWMVJJSQG-HZPDHXFCSA-N 1 0 389.323 2.576 20 0 GFADRO Cc1cc(Br)cc(C)c1S(=O)(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000594771286 565418599 /nfs/dbraw/zinc/41/85/99/565418599.db2.gz VCAHXBFLEHDCBX-HNNXBMFYSA-N 1 0 387.343 2.829 20 0 GFADRO Brc1cccc(Cc2noc(CN3CC[C@@H]4CC[NH2+][C@H]4C3)n2)c1 ZINC000643067121 565420937 /nfs/dbraw/zinc/42/09/37/565420937.db2.gz YCPXWFLXGABMJX-ZFWWWQNUSA-N 1 0 377.286 2.607 20 0 GFADRO Brc1ccccc1-n1nnnc1CN1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000643061807 565420997 /nfs/dbraw/zinc/42/09/97/565420997.db2.gz XLXIYVUEKRVNNW-GOEBONIOSA-N 1 0 391.317 2.531 20 0 GFADRO CN(Cc1ccc(Cl)s1)C(=O)CN1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000643083072 565421057 /nfs/dbraw/zinc/42/10/57/565421057.db2.gz QABIMLNVDYDQMR-ZBFHGGJFSA-N 1 0 385.961 2.578 20 0 GFADRO C[C@H](NC(=O)NCCN1C[C@@H](C)OC[C@@H]1C)c1ccc(Br)cc1 ZINC000663441759 565421563 /nfs/dbraw/zinc/42/15/63/565421563.db2.gz AKZJRZTZYGXLKW-MJBXVCDLSA-N 1 0 384.318 2.919 20 0 GFADRO CN(CCCC[NH+](C)C)S(=O)(=O)CCc1ccccc1Br ZINC000643200027 565422851 /nfs/dbraw/zinc/42/28/51/565422851.db2.gz PBUFYHNLCFGQIP-UHFFFAOYSA-N 1 0 377.348 2.595 20 0 GFADRO C[C@@H](C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1)c1cccc(Br)c1 ZINC000643209311 565423827 /nfs/dbraw/zinc/42/38/27/565423827.db2.gz LHEHGZVARGZMRN-QAPCUYQASA-N 1 0 394.357 2.791 20 0 GFADRO O=S(=O)(N[C@@H]1CC[N@H+](CC2CC2)C1)c1cc(Cl)ccc1OC(F)F ZINC000643205868 565424094 /nfs/dbraw/zinc/42/40/94/565424094.db2.gz RCJNEMMKTCVFBA-GFCCVEGCSA-N 1 0 380.844 2.704 20 0 GFADRO C[N@@H+]1CCCC[C@H]1CN1CCN(c2nc(C3CC3)ncc2Br)CC1 ZINC000663575024 565426971 /nfs/dbraw/zinc/42/69/71/565426971.db2.gz JMZRVACEMRCXPQ-HNNXBMFYSA-N 1 0 394.361 2.723 20 0 GFADRO C[C@@H](CCCC[NH3+])NC(=O)C(=O)Nc1ccc(OC(F)(F)F)cc1Cl ZINC000663603781 565427986 /nfs/dbraw/zinc/42/79/86/565427986.db2.gz JKBSAQHVCJAAKD-VIFPVBQESA-N 1 0 381.782 2.811 20 0 GFADRO [NH3+]C1(CNC(=O)C(=O)Nc2ccc(OC(F)(F)F)cc2Cl)CCCC1 ZINC000663603665 565427992 /nfs/dbraw/zinc/42/79/92/565427992.db2.gz AGWXOFZBQOAZPF-UHFFFAOYSA-N 1 0 379.766 2.565 20 0 GFADRO C[NH+](C)CCCOc1ccc(NC(=O)c2ccc(S(C)(=O)=O)s2)cc1 ZINC000643305208 565429047 /nfs/dbraw/zinc/42/90/47/565429047.db2.gz MGPIKSSLVXXEDU-UHFFFAOYSA-N 1 0 382.507 2.734 20 0 GFADRO [NH3+]C1CCC(NC(=O)C(=O)Nc2ccc(OC(F)(F)F)cc2Cl)CC1 ZINC000663606053 565429230 /nfs/dbraw/zinc/42/92/30/565429230.db2.gz WOVUIQHMEFAABX-UHFFFAOYSA-N 1 0 379.766 2.563 20 0 GFADRO COc1cc(N2CCN(C3CC[NH+](C(C)C)CC3)CC2)c(Br)cn1 ZINC000663731074 565433251 /nfs/dbraw/zinc/43/32/51/565433251.db2.gz BFVVSNBRPPPFLL-UHFFFAOYSA-N 1 0 397.361 2.848 20 0 GFADRO O=C(CC[C@H]1CCC[NH2+]C1)NCc1cc(Br)c2c(c1)OCCO2 ZINC000621629744 565434245 /nfs/dbraw/zinc/43/42/45/565434245.db2.gz IVFAYPAWOWYGKN-GFCCVEGCSA-N 1 0 383.286 2.616 20 0 GFADRO [NH3+][C@]12CCC[C@@H]1CN(C(=O)c1nn(-c3ccc(F)cc3)cc1Br)C2 ZINC000621681632 565437141 /nfs/dbraw/zinc/43/71/41/565437141.db2.gz VMJBLNIDPYXJPY-DIFFPNOSSA-N 1 0 393.260 2.727 20 0 GFADRO Cc1c(C(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)cnn1-c1cccc(Br)c1 ZINC000621689110 565437162 /nfs/dbraw/zinc/43/71/62/565437162.db2.gz CNSAOHADUCYKGW-FZKQIMNGSA-N 1 0 389.297 2.897 20 0 GFADRO CCC[C@@H](O)[C@@H](CO)[NH2+]Cc1cc(Cl)ccc1I ZINC000594945628 565437273 /nfs/dbraw/zinc/43/72/73/565437273.db2.gz GYARSUORJACSLD-CHWSQXEVSA-N 1 0 383.657 2.556 20 0 GFADRO COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]C[C@@H](CO)Cc1ccc(C)c(Br)c1 ZINC000594958769 565438147 /nfs/dbraw/zinc/43/81/47/565438147.db2.gz OYQODCXGZDLUFL-SLBVQIDZSA-N 1 0 384.314 2.696 20 0 GFADRO COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]C[C@@H](CO)Cc1cc(Br)ccc1F ZINC000594959372 565438562 /nfs/dbraw/zinc/43/85/62/565438562.db2.gz QKXSLJIRHGAXSI-UOVKNHIHSA-N 1 0 388.277 2.526 20 0 GFADRO C[C@@H](CC[NH+](C)C)NC(=O)N1CCOC[C@@H]1c1ccc(Br)cc1 ZINC000663850042 565439448 /nfs/dbraw/zinc/43/94/48/565439448.db2.gz QKZKJAOZCFBECV-XJKSGUPXSA-N 1 0 384.318 2.872 20 0 GFADRO C[C@@H](CC[NH+](C)C)NC(=O)N1CCOC[C@H]1c1ccc(Br)cc1 ZINC000663850039 565439525 /nfs/dbraw/zinc/43/95/25/565439525.db2.gz QKZKJAOZCFBECV-BBRMVZONSA-N 1 0 384.318 2.872 20 0 GFADRO C[C@@H](CN1CC[NH+](C)CC1)N[C@@H](c1ccc(Br)cc1)C(F)F ZINC000621751561 565439917 /nfs/dbraw/zinc/43/99/17/565439917.db2.gz IUYQDJNCHFUDNY-WFASDCNBSA-N 1 0 376.289 2.981 20 0 GFADRO C[C@H]1COCCN1CC[NH2+][C@H]1CCc2ccc(I)cc21 ZINC000595010101 565442724 /nfs/dbraw/zinc/44/27/24/565442724.db2.gz FZGLWQDRRAAFPD-LRDDRELGSA-N 1 0 386.277 2.589 20 0 GFADRO CCS(=O)(=O)C[C@H](C)[NH2+][C@@H]1CCc2ccc(I)cc21 ZINC000595018698 565443860 /nfs/dbraw/zinc/44/38/60/565443860.db2.gz DPUZTCWMVYPQSO-IINYFYTJSA-N 1 0 393.290 2.691 20 0 GFADRO COC[C@](C)(O)CC[NH2+][C@@H]1CCc2ccc(I)cc21 ZINC000595039772 565444239 /nfs/dbraw/zinc/44/42/39/565444239.db2.gz CIOYPFLSEJJUQF-HUUCEWRRSA-N 1 0 375.250 2.656 20 0 GFADRO O=C(NCC(F)(F)c1ccc(Br)cc1)N[C@H]1CCC[NH2+]CC1 ZINC000621848527 565444349 /nfs/dbraw/zinc/44/43/49/565444349.db2.gz ZWLDGRDLHHKCAZ-ZDUSSCGKSA-N 1 0 376.245 2.982 20 0 GFADRO CS(=O)(=O)CCCC[NH2+][C@H]1CCc2ccc(I)cc21 ZINC000595044183 565444667 /nfs/dbraw/zinc/44/46/67/565444667.db2.gz JARCXMUBRQSPLU-AWEZNQCLSA-N 1 0 393.290 2.693 20 0 GFADRO COCCn1cc(C[NH2+][C@@H]2CCc3ccc(I)cc32)cn1 ZINC000595039469 565444825 /nfs/dbraw/zinc/44/48/25/565444825.db2.gz PGAWXFMOWJCOGF-MRXNPFEDSA-N 1 0 397.260 2.911 20 0 GFADRO COC[C@@]1(C(=O)N2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)CCC[NH2+]1 ZINC000643785774 565445173 /nfs/dbraw/zinc/44/51/73/565445173.db2.gz ZQEKKHJHSXASBO-IAQYHMDHSA-N 1 0 377.432 2.637 20 0 GFADRO COC[C@@]1(C(=O)N2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)CCC[NH2+]1 ZINC000643785776 565445748 /nfs/dbraw/zinc/44/57/48/565445748.db2.gz ZQEKKHJHSXASBO-XHDPSFHLSA-N 1 0 377.432 2.637 20 0 GFADRO C[C@@H](CNC(=O)c1cc(Br)c[nH]c1=O)[N@H+](C)Cc1ccccc1 ZINC000621863744 565446042 /nfs/dbraw/zinc/44/60/42/565446042.db2.gz HSVBIPZGPHJGDG-LBPRGKRZSA-N 1 0 378.270 2.800 20 0 GFADRO C[C@@H](CSCCF)[NH2+]CCNS(=O)(=O)c1cccc(Cl)c1Cl ZINC000595052647 565446092 /nfs/dbraw/zinc/44/60/92/565446092.db2.gz ZPKJYBVIYFQNQJ-JTQLQIEISA-N 1 0 389.345 2.953 20 0 GFADRO C[C@@H]([NH2+]CCc1ccc(I)cc1)C(C)(C)n1cncn1 ZINC000595095910 565447750 /nfs/dbraw/zinc/44/77/50/565447750.db2.gz SXOSFFCZYYTTQZ-GFCCVEGCSA-N 1 0 384.265 2.839 20 0 GFADRO C[C@H]1C[C@H](NC(=O)c2cc(Br)c[nH]c2=O)C[N@@H+]1Cc1ccccc1 ZINC000621911023 565448697 /nfs/dbraw/zinc/44/86/97/565448697.db2.gz QNJTWUSMGRLBCP-WFASDCNBSA-N 1 0 390.281 2.943 20 0 GFADRO [NH3+][C@]12CCC[C@H]1CN(S(=O)(=O)c1ccc(Cl)c(Br)c1)C2 ZINC000622014719 565455420 /nfs/dbraw/zinc/45/54/20/565455420.db2.gz JUPIETMIJBKHRR-ZANVPECISA-N 1 0 379.707 2.604 20 0 GFADRO [NH3+][C@]12CCC[C@H]1CN(S(=O)(=O)c1cccc(Br)c1Cl)C2 ZINC000622015386 565455564 /nfs/dbraw/zinc/45/55/64/565455564.db2.gz VLZMPCQQNWOOGI-ZANVPECISA-N 1 0 379.707 2.604 20 0 GFADRO CCN(C(=O)NC[C@H](C)Oc1cccc(Br)c1)[C@H]1CC[N@H+](C)C1 ZINC000664251949 565456204 /nfs/dbraw/zinc/45/62/04/565456204.db2.gz WSVTYKFXNBAJOF-ZFWWWQNUSA-N 1 0 384.318 2.952 20 0 GFADRO CC(C)[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)N(C1CC1)C1CC[NH2+]CC1 ZINC000644095256 565459243 /nfs/dbraw/zinc/45/92/43/565459243.db2.gz FDBQYMAAISSHOZ-MRXNPFEDSA-N 1 0 383.945 2.899 20 0 GFADRO COc1ccccc1[C@H]([NH3+])CNC(=O)[C@@H]1COc2ccc(Br)cc21 ZINC000644091548 565459362 /nfs/dbraw/zinc/45/93/62/565459362.db2.gz XQUPBQPMJBKNJO-HUUCEWRRSA-N 1 0 391.265 2.750 20 0 GFADRO CC[C@@H](Cc1cccc(Br)c1)C(=O)NC[C@@]1(COC)CCC[NH2+]1 ZINC000644125783 565459711 /nfs/dbraw/zinc/45/97/11/565459711.db2.gz NLWSTQGOICVXGI-MAUKXSAKSA-N 1 0 383.330 2.903 20 0 GFADRO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)c1nc(C2CC2)ncc1Br ZINC000664396675 565462341 /nfs/dbraw/zinc/46/23/41/565462341.db2.gz MXLKBCPICYSYGW-GFCCVEGCSA-N 1 0 381.318 2.967 20 0 GFADRO CCC[N@H+](C)CC(C)(C)NS(=O)(=O)c1ccc(C(=O)OC)c(Cl)c1 ZINC000595381447 565471359 /nfs/dbraw/zinc/47/13/59/565471359.db2.gz LKOVEOKDCNEVHB-UHFFFAOYSA-N 1 0 376.906 2.525 20 0 GFADRO O=C(NC[C@@H]1CCC[N@H+](CC2CC2)C1)C(=O)Nc1ccccc1Br ZINC000664675150 565472727 /nfs/dbraw/zinc/47/27/27/565472727.db2.gz OYSLGCYUDSCYRK-AWEZNQCLSA-N 1 0 394.313 2.626 20 0 GFADRO C[NH+](C)C[C@H]1COC2(CCCC2)CN1C(=O)c1ncsc1C(F)(F)F ZINC000622755087 565473316 /nfs/dbraw/zinc/47/33/16/565473316.db2.gz QFPTXVADXOJMIP-NSHDSACASA-N 1 0 377.432 2.877 20 0 GFADRO Cc1ccc(Br)cc1CNC(=O)NCCN1C[C@H](C)OC[C@@H]1C ZINC000664723171 565476143 /nfs/dbraw/zinc/47/61/43/565476143.db2.gz WMHQQFKIRSAVQS-KBPBESRZSA-N 1 0 384.318 2.666 20 0 GFADRO CC(=O)Nc1cccc(C[NH2+]C[C@H](O)COc2ccc(Br)cc2)c1 ZINC000644521244 565479508 /nfs/dbraw/zinc/47/95/08/565479508.db2.gz ZFYNJOHQMDMTIG-KRWDZBQOSA-N 1 0 393.281 2.937 20 0 GFADRO O=C(NCC[NH2+]C[C@H](O)COc1ccc(Cl)c(Cl)c1)c1cccs1 ZINC000644524181 565480044 /nfs/dbraw/zinc/48/00/44/565480044.db2.gz YKZPWQMPXDTELQ-NSHDSACASA-N 1 0 389.304 2.814 20 0 GFADRO O[C@H](C[NH2+][C@@H]1CCN(CC(F)(F)F)C1)COc1ccc(Cl)c(Cl)c1 ZINC000644532431 565480908 /nfs/dbraw/zinc/48/09/08/565480908.db2.gz JBOGBNQCKSJJIT-GHMZBOCLSA-N 1 0 387.229 2.959 20 0 GFADRO O[C@@H](C[NH2+]CCCOC1CCOCC1)COc1ccc(Cl)c(Cl)c1 ZINC000644574389 565483044 /nfs/dbraw/zinc/48/30/44/565483044.db2.gz ZQRCWYYAASNDFF-ZDUSSCGKSA-N 1 0 378.296 2.908 20 0 GFADRO O[C@@H](C[NH2+][C@H]1CCN(c2ccccn2)C1)COc1ccc(Cl)c(Cl)c1 ZINC000644608382 565483653 /nfs/dbraw/zinc/48/36/53/565483653.db2.gz HJKVLWSSESQNBR-KBPBESRZSA-N 1 0 382.291 2.997 20 0 GFADRO C[C@@H](C[C@H]1CCOC1)[NH2+]CCS(=O)(=O)c1cccc(Br)c1 ZINC000644593529 565483743 /nfs/dbraw/zinc/48/37/43/565483743.db2.gz DHGHQPNDGPGKLD-QWHCGFSZSA-N 1 0 376.316 2.628 20 0 GFADRO O[C@H](C[NH2+][C@@H]1CCO[C@]2(CCOC2)C1)COc1ccc(Cl)c(Cl)c1 ZINC000644613171 565485139 /nfs/dbraw/zinc/48/51/39/565485139.db2.gz MITFGTUXFOLMKD-PBFPGSCMSA-N 1 0 376.280 2.661 20 0 GFADRO O=C(Cc1noc2ccc(Br)cc21)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000644630294 565486447 /nfs/dbraw/zinc/48/64/47/565486447.db2.gz QOKVXAVGKVHFPT-ZDUSSCGKSA-N 1 0 378.270 2.733 20 0 GFADRO CCc1ccc([C@H]2CN(C(=O)c3cc(Br)c[nH]c3=O)CCN2)cc1 ZINC000623026859 565490531 /nfs/dbraw/zinc/49/05/31/565490531.db2.gz WRGABUYWXXFCAV-MRXNPFEDSA-N 1 0 390.281 2.899 20 0 GFADRO NC(=O)[C@@H]1C[N@H+](Cc2cn3cc(Br)ccc3n2)C[C@H]1c1ccccc1 ZINC000665143702 565491437 /nfs/dbraw/zinc/49/14/37/565491437.db2.gz NIUJEWMZKDWZFM-DLBZAZTESA-N 1 0 399.292 2.798 20 0 GFADRO CC1(C)C[NH2+][C@H]1C1CCN(C(=O)c2nc(C3CC3)ncc2Br)CC1 ZINC000623070261 565492538 /nfs/dbraw/zinc/49/25/38/565492538.db2.gz DARLBGIJLMZTPF-HNNXBMFYSA-N 1 0 393.329 2.967 20 0 GFADRO O=C(c1nc(C2CC2)ncc1Br)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000623054391 565493006 /nfs/dbraw/zinc/49/30/06/565493006.db2.gz LZQUUJCZEOMPNL-CQSZACIVSA-N 1 0 379.302 2.721 20 0 GFADRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)N2CCOC[C@H]2c2ccc(Br)cc2)C1 ZINC000665254269 565494850 /nfs/dbraw/zinc/49/48/50/565494850.db2.gz LSKAUKOEASCSDJ-XKQJLSEDSA-N 1 0 396.329 2.872 20 0 GFADRO COC(=O)[C@H](c1ccccc1Br)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000595895722 565496016 /nfs/dbraw/zinc/49/60/16/565496016.db2.gz TXXHFQAITHAMKU-VBQJREDUSA-N 1 0 381.314 2.985 20 0 GFADRO C[N@@H+]1C[C@@H]2CCN(C(=O)c3cc(-c4ccc(Br)cc4)n[nH]3)[C@@H]2C1 ZINC000644811582 565496311 /nfs/dbraw/zinc/49/63/11/565496311.db2.gz AWIOOTGIPRCVKA-BLLLJJGKSA-N 1 0 375.270 2.615 20 0 GFADRO C[C@@]1([NH3+])CCCC[C@H]1C(=O)NCCc1ccc(I)cc1 ZINC000595945998 565501422 /nfs/dbraw/zinc/50/14/22/565501422.db2.gz HLSDGIFAYKOYIC-GOEBONIOSA-N 1 0 386.277 2.858 20 0 GFADRO CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)NCC[C@@H]([NH3+])C(C)C ZINC000595950773 565502245 /nfs/dbraw/zinc/50/22/45/565502245.db2.gz LUHCVUOHZZNQRZ-CVEARBPZSA-N 1 0 385.961 2.681 20 0 GFADRO Cc1ccc(I)cc1NC(=O)c1cn[nH]c1[C@@H]1CC[NH2+]C1 ZINC000595955487 565502807 /nfs/dbraw/zinc/50/28/07/565502807.db2.gz AGLFGZAKRDOMAA-SNVBAGLBSA-N 1 0 396.232 2.652 20 0 GFADRO COC(=O)[C@H](NC(=O)C[C@H](C)[C@@H]1CCC[NH2+]C1)c1ccccc1Br ZINC000595971114 565503608 /nfs/dbraw/zinc/50/36/08/565503608.db2.gz PPEVBTMJQDBTPE-OGHNNQOOSA-N 1 0 397.313 2.805 20 0 GFADRO NC(=O)c1ccccc1N1CC[C@H]([NH2+]Cc2ccsc2Br)C1 ZINC000623415551 565509316 /nfs/dbraw/zinc/50/93/16/565509316.db2.gz OXXAHMREQVWYMW-LBPRGKRZSA-N 1 0 380.311 2.978 20 0 GFADRO Ic1cnc(CNC[C@H]2CCC[N@H+](CC3CC3)C2)s1 ZINC000596058407 565511514 /nfs/dbraw/zinc/51/15/14/565511514.db2.gz HIUMBZWONIUUSX-GFCCVEGCSA-N 1 0 391.322 2.959 20 0 GFADRO CC(C)Oc1cc(Cl)c(C[NH2+]CC2CN(S(C)(=O)=O)C2)cc1Cl ZINC000623496992 565513993 /nfs/dbraw/zinc/51/39/93/565513993.db2.gz SUPJCVDKTKQHKV-UHFFFAOYSA-N 1 0 381.325 2.762 20 0 GFADRO C[C@H]([NH2+]CC(=O)N(C)Cc1cnn(C)c1)c1ccc(F)c(Br)c1 ZINC000645193648 565515269 /nfs/dbraw/zinc/51/52/69/565515269.db2.gz KTZXCMQKOMGJTG-NSHDSACASA-N 1 0 383.265 2.631 20 0 GFADRO CC[N@@H+]1CC[C@H]2OCCN(C[C@@H](O)COc3cc(Cl)ccc3Cl)[C@H]2C1 ZINC000645177801 565515348 /nfs/dbraw/zinc/51/53/48/565515348.db2.gz APDYHTKYMPDNJZ-HYVNUMGLSA-N 1 0 389.323 2.528 20 0 GFADRO C[C@H]1[C@H]([NH+](C)C)CCN1c1ncnc2cccc(I)c21 ZINC000596243623 565516896 /nfs/dbraw/zinc/51/68/96/565516896.db2.gz IQOZSANBJIFGRL-GXFFZTMASA-N 1 0 382.249 2.763 20 0 GFADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNCc1oc2ccccc2c1Br ZINC000623620373 565521654 /nfs/dbraw/zinc/52/16/54/565521654.db2.gz ODBOATXJQFIFLE-ZDUSSCGKSA-N 1 0 380.286 2.625 20 0 GFADRO COc1cc(C(=O)NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)ccc1Br ZINC000623638374 565521904 /nfs/dbraw/zinc/52/19/04/565521904.db2.gz CGNLOBMODRMMLA-BETUJISGSA-N 1 0 385.302 2.687 20 0 GFADRO CCCN(C(=O)NCCOc1ncc(Cl)cc1Cl)[C@H]1CC[N@H+](C)C1 ZINC000645370486 565522734 /nfs/dbraw/zinc/52/27/34/565522734.db2.gz SRVAPRWPCZCEIV-ZDUSSCGKSA-N 1 0 375.300 2.893 20 0 GFADRO OC[C@]1([NH2+]Cc2cn(C3CCC3)nn2)CCc2cc(Br)ccc2C1 ZINC000623645084 565523146 /nfs/dbraw/zinc/52/31/46/565523146.db2.gz NLGAYJATOKSABS-SFHVURJKSA-N 1 0 391.313 2.775 20 0 GFADRO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]CCN1Cc2ccccc2C1 ZINC000666085318 565523683 /nfs/dbraw/zinc/52/36/83/565523683.db2.gz DATUHIKDGWRMKT-AWEZNQCLSA-N 1 0 376.298 2.605 20 0 GFADRO Cc1c([C@@H](C)[NH2+]C[C@H]2CCCNC2=O)nnn1-c1cccc(Br)c1 ZINC000666188268 565526838 /nfs/dbraw/zinc/52/68/38/565526838.db2.gz YAZWNRAUMGODOO-DGCLKSJQSA-N 1 0 392.301 2.515 20 0 GFADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNS(=O)(=O)c2ncccc2C(F)(F)F)C1 ZINC000645474319 565528527 /nfs/dbraw/zinc/52/85/27/565528527.db2.gz YSFBJSMIVJNFDO-BETUJISGSA-N 1 0 379.448 2.747 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+]C[C@@H]2Cc3ccccc32)cc1Br ZINC000666256906 565529308 /nfs/dbraw/zinc/52/93/08/565529308.db2.gz JFIBELVDJYITGK-ZDUSSCGKSA-N 1 0 381.295 2.526 20 0 GFADRO COc1cc(NC(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)ccc1Br ZINC000666250622 565529514 /nfs/dbraw/zinc/52/95/14/565529514.db2.gz UPYBRZMPFHBRBT-AWEZNQCLSA-N 1 0 398.301 2.521 20 0 GFADRO Fc1cc(Br)cc(C[NH2+]C[C@H]2CN(Cc3ccncc3)CCO2)c1 ZINC000623782232 565530840 /nfs/dbraw/zinc/53/08/40/565530840.db2.gz MOVHKQJTUDSRMK-SFHVURJKSA-N 1 0 394.288 2.974 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@@H]1CCO[C@H]1c1cncc(Br)c1 ZINC000666428224 565538023 /nfs/dbraw/zinc/53/80/23/565538023.db2.gz LAKVRMCVIRHOGV-XYPHTWIQSA-N 1 0 396.329 2.912 20 0 GFADRO C[C@@H]([NH2+]CCNS(=O)(=O)c1cccc(Cl)c1Cl)[C@@H]1CCCCO1 ZINC000623982043 565538453 /nfs/dbraw/zinc/53/84/53/565538453.db2.gz AQKFVGGMRUQWTQ-YPMHNXCESA-N 1 0 381.325 2.819 20 0 GFADRO Cc1cc(Br)c(F)c(C(=O)NCCCC[NH+]2CCN(C)CC2)c1 ZINC000624051799 565540848 /nfs/dbraw/zinc/54/08/48/565540848.db2.gz NSXFXPQVXZAGEV-UHFFFAOYSA-N 1 0 386.309 2.654 20 0 GFADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@@H]1Cc2ccccc2CO1 ZINC000624055744 565541073 /nfs/dbraw/zinc/54/10/73/565541073.db2.gz OACJEQUOJUVJBK-DYVFJYSZSA-N 1 0 377.282 2.730 20 0 GFADRO C[C@@]([NH3+])(C(=O)Nc1cnn(C[C@H]2CCCO2)c1)c1ccc(Br)cc1 ZINC000645580746 565541396 /nfs/dbraw/zinc/54/13/96/565541396.db2.gz ARZIZUDXWWCIBY-WBVHZDCISA-N 1 0 393.285 2.637 20 0 GFADRO C[C@@H]([NH2+][C@@H]1CCN(c2ccc3nncn3n2)C1)c1ccc(Br)cc1 ZINC000624113459 565543671 /nfs/dbraw/zinc/54/36/71/565543671.db2.gz GLAMVBSVKPEORK-IUODEOHRSA-N 1 0 387.285 2.816 20 0 GFADRO CS(=O)(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCc2ccc(Br)cc21 ZINC000624137570 565545070 /nfs/dbraw/zinc/54/50/70/565545070.db2.gz OKOXITKDVWXENT-BZUAXINKSA-N 1 0 387.343 2.886 20 0 GFADRO COc1ncc(Br)cc1CNC(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000624174421 565546112 /nfs/dbraw/zinc/54/61/12/565546112.db2.gz WZTWFCFCFQGHDQ-UHFFFAOYSA-N 1 0 397.317 2.669 20 0 GFADRO O=S(=O)(N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)c1cscn1 ZINC000645647772 565547564 /nfs/dbraw/zinc/54/75/64/565547564.db2.gz GSHCWLBRJOZEOF-YESZJQIVSA-N 1 0 377.535 2.722 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CN(C(=O)Nc2ncc(Cc3ccccc3Cl)s2)CCO1 ZINC000666684399 565547916 /nfs/dbraw/zinc/54/79/16/565547916.db2.gz KJFQVKYKMOFTOR-IAQYHMDHSA-N 1 0 380.901 2.967 20 0 GFADRO O=C(Nc1nc(-c2ccsc2)ns1)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000666683357 565547996 /nfs/dbraw/zinc/54/79/96/565547996.db2.gz VABHSJMLJGKNHY-ZDUSSCGKSA-N 1 0 379.511 2.641 20 0 GFADRO CCC[NH+](CCC)CCCNC(=O)Nc1cn(C)cc(Br)c1=O ZINC000666691045 565548991 /nfs/dbraw/zinc/54/89/91/565548991.db2.gz SOODPQVNFHNTLY-UHFFFAOYSA-N 1 0 387.322 2.781 20 0 GFADRO C[C@H]([NH2+]C[C@H]1CN(Cc2ccncc2)CCO1)c1cncc(Br)c1 ZINC000624264054 565549674 /nfs/dbraw/zinc/54/96/74/565549674.db2.gz RNZMVPKGZVBAQQ-KSSFIOAISA-N 1 0 391.313 2.791 20 0 GFADRO CCCN(CC[NH+](CC)CC)C(=O)Nc1cn(C)cc(Br)c1=O ZINC000666695350 565550541 /nfs/dbraw/zinc/55/05/41/565550541.db2.gz XLHMVFJTEJKMPD-UHFFFAOYSA-N 1 0 387.322 2.734 20 0 GFADRO Cc1cc(Br)c(F)cc1S(=O)(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000624364868 565553539 /nfs/dbraw/zinc/55/35/39/565553539.db2.gz BZCLUSZARWWTGA-OAHLLOKOSA-N 1 0 391.306 2.661 20 0 GFADRO Cc1cc(Br)c(F)cc1S(=O)(=O)N1C[C@H]([NH3+])Cc2ccccc21 ZINC000624372872 565553618 /nfs/dbraw/zinc/55/36/18/565553618.db2.gz ZFEAVWRAYJAOSR-GFCCVEGCSA-N 1 0 399.285 2.975 20 0 GFADRO COC(=O)[C@@H]1OCC[C@@H]1[NH2+]Cc1cc(Br)cc(C(F)(F)F)c1 ZINC000597192139 565554196 /nfs/dbraw/zinc/55/41/96/565554196.db2.gz KCHGNJQVZRGLJN-NWDGAFQWSA-N 1 0 382.176 2.888 20 0 GFADRO Cc1cc(S(=O)(=O)N2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)c(Cl)cc1F ZINC000624391053 565554393 /nfs/dbraw/zinc/55/43/93/565554393.db2.gz OVDMTOHSDDOTRY-VHSXEESVSA-N 1 0 388.814 2.935 20 0 GFADRO CCN(CC[NH3+])S(=O)(=O)c1cc(Cl)c(Cl)cc1Br ZINC000624382410 565554699 /nfs/dbraw/zinc/55/46/99/565554699.db2.gz AMSWZPPCNLPUDY-UHFFFAOYSA-N 1 0 376.103 2.725 20 0 GFADRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2c(Cl)ccc(F)c2F)CC[C@H]1C(F)(F)F ZINC000624391935 565554789 /nfs/dbraw/zinc/55/47/89/565554789.db2.gz HBTYWWUKRYARME-HTQZYQBOSA-N 1 0 392.777 2.766 20 0 GFADRO CCOCCOc1ccc(Br)cc1C[NH2+][C@H]1C[C@@H](C(=O)OC)C1 ZINC000597218858 565555204 /nfs/dbraw/zinc/55/52/04/565555204.db2.gz UBHMYSPBBSIUFI-JNSHFYNHSA-N 1 0 386.286 2.906 20 0 GFADRO [NH3+]C[C@@H]1CN(S(=O)(=O)C2CCC(C(F)(F)F)CC2)CC[C@@H]1C(F)(F)F ZINC000624392689 565555954 /nfs/dbraw/zinc/55/59/54/565555954.db2.gz XFWHIPIDLZBVHX-YYJSSNLHSA-N 1 0 396.397 2.896 20 0 GFADRO [NH3+]C[C@@H]1CN(S(=O)(=O)Cc2cc(Cl)ccc2F)CC[C@@H]1C(F)(F)F ZINC000624392447 565555999 /nfs/dbraw/zinc/55/59/99/565555999.db2.gz RABQIBWDSKBCFE-PWSUYJOCSA-N 1 0 388.814 2.768 20 0 GFADRO C[C@]12C[NH2+]C[C@@]1(C)CN(S(=O)(=O)c1ccc(Cl)c(Br)c1)C2 ZINC000624412093 565556693 /nfs/dbraw/zinc/55/66/93/565556693.db2.gz IGPGCSXJKVYHKF-OKILXGFUSA-N 1 0 393.734 2.723 20 0 GFADRO C[C@]12C[NH2+]C[C@@]1(C)CN(S(=O)(=O)c1ccc(Br)c(Cl)c1)C2 ZINC000624412070 565557036 /nfs/dbraw/zinc/55/70/36/565557036.db2.gz HBVFKDSKWXMPQR-OKILXGFUSA-N 1 0 393.734 2.723 20 0 GFADRO C[C@]12C[NH2+]C[C@@]1(C)CN(S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)C2 ZINC000624413204 565557176 /nfs/dbraw/zinc/55/71/76/565557176.db2.gz ZWYBXFPVDSHIEO-OKILXGFUSA-N 1 0 382.835 2.979 20 0 GFADRO O=C([C@@H]1C[C@H]1C1CC[NH2+]CC1)N1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000645750692 565558690 /nfs/dbraw/zinc/55/86/90/565558690.db2.gz GSRDRRNFZAOTPI-RCCFBDPRSA-N 1 0 393.325 2.985 20 0 GFADRO Cc1nccc(NC(=O)NCC2CC[NH+](CC3CC3)CC2)c1Br ZINC000666837139 565558948 /nfs/dbraw/zinc/55/89/48/565558948.db2.gz LQRQFQFLOBDFRD-UHFFFAOYSA-N 1 0 381.318 2.818 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)C(=O)N1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000645820063 565564946 /nfs/dbraw/zinc/56/49/46/565564946.db2.gz PBBIOUPKHFJVAK-SFHVURJKSA-N 1 0 394.313 2.640 20 0 GFADRO Cc1ccc(I)c(C(=O)NCC23CCC[NH+]2CCC3)c1 ZINC000597587806 565566410 /nfs/dbraw/zinc/56/64/10/565566410.db2.gz YOCSTWKCMFSDNB-UHFFFAOYSA-N 1 0 384.261 2.958 20 0 GFADRO CN1CCOC[C@H]1CNC(=O)N1CCC[C@H]1c1ccc(Br)cc1 ZINC000624742636 565573430 /nfs/dbraw/zinc/57/34/30/565573430.db2.gz YNRIEFLDIVWWJJ-CVEARBPZSA-N 1 0 382.302 2.626 20 0 GFADRO CN1CCOC[C@@H]1CNC(=O)N1CCC[C@H]1c1cccc(Br)c1 ZINC000624737671 565573534 /nfs/dbraw/zinc/57/35/34/565573534.db2.gz KLCABYLHAHBQGW-HOTGVXAUSA-N 1 0 382.302 2.626 20 0 GFADRO C[C@@H](CN(C)C(=O)NC[C@H]1COCCN1C)Oc1ccc(Cl)c(Cl)c1 ZINC000624727417 565573546 /nfs/dbraw/zinc/57/35/46/565573546.db2.gz AIQQULXANYEJLN-STQMWFEESA-N 1 0 390.311 2.733 20 0 GFADRO C[C@H]([NH3+])CNC(=O)Nc1ccc(Br)cc1-c1nc(C2CC2)no1 ZINC000667162062 565573952 /nfs/dbraw/zinc/57/39/52/565573952.db2.gz YXILQBBUJZUYCA-QMMMGPOBSA-N 1 0 380.246 2.845 20 0 GFADRO COc1ccc(Br)cc1C1([NH2+]C[C@@H](C)CS(C)(=O)=O)CC1 ZINC000645974240 565579028 /nfs/dbraw/zinc/57/90/28/565579028.db2.gz CHHGCLUKIBEESU-LLVKDONJSA-N 1 0 376.316 2.717 20 0 GFADRO COc1cc(NC(=O)N(C2CC2)[C@H]2CC[NH2+]C2)cc(OC)c1Br ZINC000667324501 565581347 /nfs/dbraw/zinc/58/13/47/565581347.db2.gz YMUDPMNBGWZNJP-LBPRGKRZSA-N 1 0 384.274 2.825 20 0 GFADRO CCN(C(=O)c1ccc(I)c(F)c1)[C@H]1CC[N@H+](C)C1 ZINC000597945932 565584085 /nfs/dbraw/zinc/58/40/85/565584085.db2.gz KJZVHLXDGWLYLE-NSHDSACASA-N 1 0 376.213 2.597 20 0 GFADRO CCCC[C@@H](C[NH3+])NC(=O)C(=O)Nc1ccccc1SCC(F)(F)F ZINC000667395419 565584446 /nfs/dbraw/zinc/58/44/46/565584446.db2.gz YRLRXOMWILNDTJ-NSHDSACASA-N 1 0 377.432 2.913 20 0 GFADRO O[C@H](COc1cc(F)cc(Br)c1)C[N@@H+]1CCOC[C@H]1C1CCC1 ZINC000646059042 565585241 /nfs/dbraw/zinc/58/52/41/565585241.db2.gz AUHVSQAXLPLCQY-RDJZCZTQSA-N 1 0 388.277 2.829 20 0 GFADRO CNC(=O)[C@@]1(C(F)(F)F)CC[N@H+](CCC(=O)Nc2ccc(Cl)cc2)C1 ZINC000646111923 565587926 /nfs/dbraw/zinc/58/79/26/565587926.db2.gz ARZFEVMOVSPTRY-OAHLLOKOSA-N 1 0 377.794 2.669 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000646187653 565590795 /nfs/dbraw/zinc/59/07/95/565590795.db2.gz PYEVYTPBBJQUCO-VXGBXAGGSA-N 1 0 385.306 2.511 20 0 GFADRO COc1ccc(Br)c(CC(=O)N2CCC3(C2)CC[NH+](C)CC3)c1 ZINC000646248939 565591653 /nfs/dbraw/zinc/59/16/53/565591653.db2.gz WZKZHECJIRDTFI-UHFFFAOYSA-N 1 0 381.314 2.945 20 0 GFADRO Cc1ccc(-c2csc(NC(=O)C(=O)N3CC[NH2+][C@@H](C(C)C)C3)n2)s1 ZINC000667517370 565592476 /nfs/dbraw/zinc/59/24/76/565592476.db2.gz CEZAADJCSMKHGY-GFCCVEGCSA-N 1 0 378.523 2.575 20 0 GFADRO CC(C)Oc1cncc(S(=O)(=O)N(CC[NH+](C)C)Cc2cccs2)c1 ZINC000625049843 565592864 /nfs/dbraw/zinc/59/28/64/565592864.db2.gz ASHSARRUFCTZIG-UHFFFAOYSA-N 1 0 383.539 2.683 20 0 GFADRO CC[C@@H]1CN(C(=O)C(=O)Nc2cc(Cl)cc(C(F)(F)F)c2)CC[C@@H]1[NH3+] ZINC000667546356 565593259 /nfs/dbraw/zinc/59/32/59/565593259.db2.gz IUBWUMBWRDTCTF-RNCFNFMXSA-N 1 0 377.794 2.883 20 0 GFADRO [NH3+][C@H](CNC(=O)Nc1ccc(-c2ccc(Br)s2)nn1)C1CC1 ZINC000667529428 565593303 /nfs/dbraw/zinc/59/33/03/565593303.db2.gz COEAXNOTZCCTSB-SECBINFHSA-N 1 0 382.287 2.826 20 0 GFADRO CCOc1c(Cl)cc(NC(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)cc1Cl ZINC000667536762 565593437 /nfs/dbraw/zinc/59/34/37/565593437.db2.gz INJYFSITJNUNMB-HZMBPMFUSA-N 1 0 386.279 2.541 20 0 GFADRO O=C(Nc1cc(Cl)c(Cl)cc1Cl)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000667538384 565593696 /nfs/dbraw/zinc/59/36/96/565593696.db2.gz CQQCUXIOVBESBS-SDBXPKJASA-N 1 0 376.671 2.796 20 0 GFADRO O=C(c1cnc(-c2ccccc2Cl)s1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000646364292 565600058 /nfs/dbraw/zinc/60/00/58/565600058.db2.gz OXXKTDRSHIEPMB-CYBMUJFWSA-N 1 0 376.913 2.583 20 0 GFADRO Cc1c(Br)cncc1CN1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000667683608 565600508 /nfs/dbraw/zinc/60/05/08/565600508.db2.gz WINSWNKPFLZKBD-KBXCAEBGSA-N 1 0 381.362 2.610 20 0 GFADRO CSc1ccsc1C(=O)N[C@@H](CC(C)C)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000646419699 565602302 /nfs/dbraw/zinc/60/23/02/565602302.db2.gz LRURJABYTDBUSJ-KGLIPLIRSA-N 1 0 383.583 2.777 20 0 GFADRO CN1CC[NH+](CC2CN(C(=O)c3cc4cc(Br)ccc4o3)C2)CC1 ZINC000646458272 565603161 /nfs/dbraw/zinc/60/31/61/565603161.db2.gz QCTQAEZZAQSSQN-UHFFFAOYSA-N 1 0 392.297 2.515 20 0 GFADRO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1cn(-c2ccc(Br)cc2)cn1 ZINC000646472117 565604071 /nfs/dbraw/zinc/60/40/71/565604071.db2.gz BDYBJVXQBRAUCS-WBMJQRKESA-N 1 0 377.286 2.799 20 0 GFADRO COc1ccc(CCC(=O)Nc2cnn(CC[NH+](C)C)c2)c(Br)c1 ZINC000667772874 565605448 /nfs/dbraw/zinc/60/54/48/565605448.db2.gz WXNNLNMROFFEHS-UHFFFAOYSA-N 1 0 395.301 2.787 20 0 GFADRO [NH3+][C@@H]1CCc2ncc(NC(=O)NCc3ccc(Br)cc3)cc2C1 ZINC000667807948 565605940 /nfs/dbraw/zinc/60/59/40/565605940.db2.gz DXADNBXFGOVFJF-CQSZACIVSA-N 1 0 375.270 2.982 20 0 GFADRO CCC[N@@H+]1CC[C@@H](NC(=O)c2cc(I)c(F)cc2F)C1 ZINC000598341438 565609971 /nfs/dbraw/zinc/60/99/71/565609971.db2.gz BKTPJRAIEZVVTF-SECBINFHSA-N 1 0 394.203 2.784 20 0 GFADRO CC(C)c1ccc([C@H]([NH3+])CNC(=O)CCn2cc(Br)cn2)cc1 ZINC000646693175 565614806 /nfs/dbraw/zinc/61/48/06/565614806.db2.gz QHIMXQDQJIVWEN-MRXNPFEDSA-N 1 0 379.302 2.975 20 0 GFADRO Cn1cc(CC[N@H+](Cc2cccc(Br)c2)C2CCOCC2)nn1 ZINC000625364615 565623056 /nfs/dbraw/zinc/62/30/56/565623056.db2.gz KGDPAYWNGKZNDO-UHFFFAOYSA-N 1 0 379.302 2.801 20 0 GFADRO COCC[N@@H+]1CC[C@@H](NC(=O)Nc2ccc(F)c(Br)c2F)C1 ZINC000668044156 565624021 /nfs/dbraw/zinc/62/40/21/565624021.db2.gz JAMXAZIZAGFMNZ-SECBINFHSA-N 1 0 378.217 2.570 20 0 GFADRO O=C(NCC1CC[NH+](CC2CC2)CC1)c1cncc(I)c1 ZINC000598544459 565625025 /nfs/dbraw/zinc/62/50/25/565625025.db2.gz XRCKORZJKGLUBE-UHFFFAOYSA-N 1 0 399.276 2.538 20 0 GFADRO CC[C@@H]1CN(C(=O)c2nn(-c3ccc(F)cc3)cc2Br)CC[C@@H]1[NH3+] ZINC000647008939 565632204 /nfs/dbraw/zinc/63/22/04/565632204.db2.gz WPXDXXYTXXTJIP-ABAIWWIYSA-N 1 0 395.276 2.973 20 0 GFADRO CC[C@@H]1CN(C(=O)c2nnn(-c3cccc(Br)c3)c2C)CC[C@H]1[NH3+] ZINC000647009363 565632286 /nfs/dbraw/zinc/63/22/86/565632286.db2.gz BUMXLQYVRKNHLY-IUODEOHRSA-N 1 0 392.301 2.538 20 0 GFADRO COc1ccc(Br)cc1C[C@H](CO)C[NH2+][C@@H]1CO[C@@H](C2CC2)C1 ZINC000668225388 565633833 /nfs/dbraw/zinc/63/38/33/565633833.db2.gz LJYDBQFEPHMRLD-ULFGMLNVSA-N 1 0 384.314 2.766 20 0 GFADRO [NH3+][C@@]12CCC[C@H]1CN(C(=O)c1ccc(I)cc1Cl)C2 ZINC000598669908 565634055 /nfs/dbraw/zinc/63/40/55/565634055.db2.gz NPORTGJOYBMUJL-LKFCYVNXSA-N 1 0 390.652 2.898 20 0 GFADRO O=C(N[C@H]1CC12CC[NH2+]CC2)[C@H](c1ccc(Br)cc1)N1CCCC1 ZINC000647056164 565634452 /nfs/dbraw/zinc/63/44/52/565634452.db2.gz UZRCIRAEJFKYCW-IRXDYDNUSA-N 1 0 392.341 2.844 20 0 GFADRO O=C(c1cn(-c2ccc(Br)cc2)cn1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000647060260 565635895 /nfs/dbraw/zinc/63/58/95/565635895.db2.gz IOSGTGUIQYSJFS-OKILXGFUSA-N 1 0 389.297 2.706 20 0 GFADRO C[C@@H]1CC2(CN1C(=O)c1c3ccc(Br)cc3nn1C)CC[NH2+]CC2 ZINC000647096382 565636729 /nfs/dbraw/zinc/63/67/29/565636729.db2.gz NJMIUXKPCUTSSP-GFCCVEGCSA-N 1 0 391.313 2.940 20 0 GFADRO COc1ncncc1C[NH2+]CCC(=O)Nc1cc(Br)ccc1C ZINC000647183388 565644890 /nfs/dbraw/zinc/64/48/90/565644890.db2.gz VMIXJYISKGNTJG-UHFFFAOYSA-N 1 0 379.258 2.675 20 0 GFADRO COCC[N@@H+]1CCC[C@H](NC(=O)c2cc3cc(Br)sc3[nH]2)C1 ZINC000668373438 565644943 /nfs/dbraw/zinc/64/49/43/565644943.db2.gz ALHKBFNTDGCBPI-NSHDSACASA-N 1 0 386.315 2.833 20 0 GFADRO CC(C)[NH2+]CCCNS(=O)(=O)Cc1ccc(Cl)cc1Br ZINC000647211805 565645412 /nfs/dbraw/zinc/64/54/12/565645412.db2.gz BJJGDXMVCXQVOD-UHFFFAOYSA-N 1 0 383.739 2.910 20 0 GFADRO [NH3+]C1CCC(NS(=O)(=O)Cc2ccc(Br)cc2Cl)CC1 ZINC000647204542 565646321 /nfs/dbraw/zinc/64/63/21/565646321.db2.gz SZOOVIVQQXADJP-UHFFFAOYSA-N 1 0 381.723 2.792 20 0 GFADRO O=S(=O)(c1ccc(F)c(C(F)(F)F)c1)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647237732 565648010 /nfs/dbraw/zinc/64/80/10/565648010.db2.gz RQPLSHQFCCMZDQ-NHYWBVRUSA-N 1 0 380.407 2.997 20 0 GFADRO O=S(=O)(c1ccc(C(F)(F)F)cc1F)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647238077 565648130 /nfs/dbraw/zinc/64/81/30/565648130.db2.gz DLBPRKRMPVKRBS-FZMZJTMJSA-N 1 0 380.407 2.997 20 0 GFADRO CC1([NH3+])CCN(S(=O)(=O)Cc2ccc(Br)cc2Cl)CC1 ZINC000647254721 565649150 /nfs/dbraw/zinc/64/91/50/565649150.db2.gz OAFOWXKIAYTCSX-UHFFFAOYSA-N 1 0 381.723 2.746 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCN(S(=O)(=O)Cc2ccc(Br)cc2Cl)C1 ZINC000647266345 565650410 /nfs/dbraw/zinc/65/04/10/565650410.db2.gz RIJMOJBDXYWGAQ-UWVGGRQHSA-N 1 0 381.723 2.601 20 0 GFADRO O=S(=O)(c1cc(Cl)ccc1OCC1CCC1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000647264303 565650584 /nfs/dbraw/zinc/65/05/84/565650584.db2.gz XFPCDQDJRWTSGI-GOEBONIOSA-N 1 0 384.929 2.891 20 0 GFADRO CO[C@@]1(CO)CCC[N@H+](Cc2cn(-c3ccc(Br)cc3)nc2C)C1 ZINC000668498250 565651413 /nfs/dbraw/zinc/65/14/13/565651413.db2.gz HXFJRAWKOBBOSO-SFHVURJKSA-N 1 0 394.313 2.917 20 0 GFADRO CC(C)(C)OC(=O)c1ccc(C[NH2+][C@@H]2CCN(CC(F)(F)F)C2=O)s1 ZINC000598964140 565651912 /nfs/dbraw/zinc/65/19/12/565651912.db2.gz KUMPIRFIFGMHMB-LLVKDONJSA-N 1 0 378.416 2.956 20 0 GFADRO O=C(CC[N@H+]1CC[C@H](Sc2ccc(Br)cc2)C1)N1CCOCC1 ZINC000625703507 565655059 /nfs/dbraw/zinc/65/50/59/565655059.db2.gz INZTZBBCXNNUPT-INIZCTEOSA-N 1 0 399.354 2.864 20 0 GFADRO O=S(=O)(c1ccc(Br)cc1)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647307211 565655591 /nfs/dbraw/zinc/65/55/91/565655591.db2.gz VGJYGYKRRWZGLK-ZIAGYGMSSA-N 1 0 387.343 2.849 20 0 GFADRO C[C@H]([NH2+]C[C@@H](O)COC[C@@H]1CCCO1)c1cc(F)c(Br)cc1F ZINC000625752349 565657057 /nfs/dbraw/zinc/65/70/57/565657057.db2.gz UUJMLYGLZPPFBB-TUAOUCFPSA-N 1 0 394.256 2.934 20 0 GFADRO O=S(=O)(c1sccc1Br)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000647323458 565657940 /nfs/dbraw/zinc/65/79/40/565657940.db2.gz OGFXQAKFZWTDLE-QWRGUYRKSA-N 1 0 379.345 2.521 20 0 GFADRO C[N@H+](C[C@H](O)COc1ccc(Cl)cc1Br)CC1(C)COC1 ZINC000625788062 565658325 /nfs/dbraw/zinc/65/83/25/565658325.db2.gz IUVOKTHVPMLLCA-LBPRGKRZSA-N 1 0 378.694 2.811 20 0 GFADRO Cc1nnc(C[NH2+][C@@]2(CO)CCc3cc(Br)ccc3C2)n1C1CC1 ZINC000625794714 565659514 /nfs/dbraw/zinc/65/95/14/565659514.db2.gz LVADXQVYWGDUIT-SFHVURJKSA-N 1 0 391.313 2.694 20 0 GFADRO CC(C)c1nnc(C[NH2+][C@]2(CO)CCc3cc(Br)ccc3C2)[nH]1 ZINC000625796140 565660659 /nfs/dbraw/zinc/66/06/59/565660659.db2.gz GLVGWJZVRGDRQZ-QGZVFWFLSA-N 1 0 379.302 2.700 20 0 GFADRO C[C@@H](CNC(=O)C(=O)NCc1ccc(Cl)c(Cl)c1)[NH+]1CCC(C)CC1 ZINC000668686684 565661222 /nfs/dbraw/zinc/66/12/22/565661222.db2.gz UVKUWAYJYPYBSU-ZDUSSCGKSA-N 1 0 386.323 2.846 20 0 GFADRO Cc1cc(Br)ccc1C(=O)N1CCC([NH2+]C2([C@@H](C)O)CC2)CC1 ZINC000668699464 565662515 /nfs/dbraw/zinc/66/25/15/565662515.db2.gz OXIXLOASUQNRJI-CYBMUJFWSA-N 1 0 381.314 2.865 20 0 GFADRO OC[C@@H](C[NH2+]C[C@@H](O)COc1cccc(Br)c1)Cc1ccccc1 ZINC000647518786 565663014 /nfs/dbraw/zinc/66/30/14/565663014.db2.gz CZSLWYGCZLRHPX-SJLPKXTDSA-N 1 0 394.309 2.630 20 0 GFADRO CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@H](C)Cc2ccc(Cl)cc2Cl)C1 ZINC000668722630 565663102 /nfs/dbraw/zinc/66/31/02/565663102.db2.gz ZTPWGPXVTXXNPA-DOMZBBRYSA-N 1 0 386.323 2.641 20 0 GFADRO OC[C@@H](C[NH2+]C[C@@H](O)CC(F)(F)F)Cc1cc(Br)ccc1F ZINC000647536853 565664005 /nfs/dbraw/zinc/66/40/05/565664005.db2.gz OGRIZQFPOOCNCV-SKDRFNHKSA-N 1 0 388.199 2.642 20 0 GFADRO CCOc1cc(Br)c(F)cc1NC(=O)NCC1([NH3+])CCOCC1 ZINC000625889779 565664278 /nfs/dbraw/zinc/66/42/78/565664278.db2.gz GVSGYMHBKWVVTJ-UHFFFAOYSA-N 1 0 390.253 2.616 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)Nc2cc(Br)ccn2)CC[C@H]1C(F)(F)F ZINC000625882344 565664497 /nfs/dbraw/zinc/66/44/97/565664497.db2.gz HRVZZRZTFKGHDN-WCBMZHEXSA-N 1 0 381.196 2.835 20 0 GFADRO C[NH2+]CCOCCN(C)C(=O)Nc1cc(F)c(Br)c(Cl)c1 ZINC000625887940 565664519 /nfs/dbraw/zinc/66/45/19/565664519.db2.gz FRRRJVGVTGOKBB-UHFFFAOYSA-N 1 0 382.661 2.941 20 0 GFADRO [NH3+]CC[C@H](NC(=O)NCc1cc(F)c(Br)cc1F)C(F)(F)F ZINC000625898313 565665329 /nfs/dbraw/zinc/66/53/29/565665329.db2.gz MUJRBGYFMZOQBI-JTQLQIEISA-N 1 0 390.150 2.806 20 0 GFADRO COC(=O)[C@]1(C)CC[N@@H+]([C@@H]2CCc3cc(Br)ccc3NC2=O)C1 ZINC000599312841 565668006 /nfs/dbraw/zinc/66/80/06/565668006.db2.gz USYUGWLYHBMPBA-RHSMWYFYSA-N 1 0 381.270 2.587 20 0 GFADRO Cc1cc(Br)ccc1[C@@H]1CCC[N@H+]1CCN1C(=O)N[C@H](C)C1=O ZINC000626010562 565670480 /nfs/dbraw/zinc/67/04/80/565670480.db2.gz WKESRXVKVIDENH-DOMZBBRYSA-N 1 0 380.286 2.835 20 0 GFADRO O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)c1ccc(Br)c(F)c1F ZINC000626105615 565675056 /nfs/dbraw/zinc/67/50/56/565675056.db2.gz LLQQNUDYYHQCHW-LLVKDONJSA-N 1 0 389.240 2.710 20 0 GFADRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1cc(Br)cc2c1OCCO2 ZINC000669118798 565678453 /nfs/dbraw/zinc/67/84/53/565678453.db2.gz OTSZKIXFGVFJCY-RISCZKNCSA-N 1 0 383.286 2.633 20 0 GFADRO CN(Cc1cc(Br)cs1)C(=O)CN(C1CC1)C1CC[NH2+]CC1 ZINC000647814774 565678680 /nfs/dbraw/zinc/67/86/80/565678680.db2.gz FISXDCGMSGGOSG-UHFFFAOYSA-N 1 0 386.359 2.685 20 0 GFADRO CNS(=O)(=O)C[C@H]1CCC[N@H+](CCCc2ccccc2Br)C1 ZINC000626166861 565681629 /nfs/dbraw/zinc/68/16/29/565681629.db2.gz HLARGLMNHQPYNG-AWEZNQCLSA-N 1 0 389.359 2.643 20 0 GFADRO CN(CCOc1ccc(Br)cc1)C(=O)C1([NH3+])Cc2ccccc2C1 ZINC000647906402 565683922 /nfs/dbraw/zinc/68/39/22/565683922.db2.gz ASPVNHMHACUISE-UHFFFAOYSA-N 1 0 389.293 2.783 20 0 GFADRO Cc1nn(C)c(NC(=O)NC[C@H](c2ccsc2)[NH+](C)C)c1Br ZINC000647984269 565685665 /nfs/dbraw/zinc/68/56/65/565685665.db2.gz OQBIQGBRFFTLJT-LLVKDONJSA-N 1 0 386.319 2.977 20 0 GFADRO Cc1nn(C)c(NC(=O)N2CC[NH+](C3CCCCC3)CC2)c1Br ZINC000647984413 565685944 /nfs/dbraw/zinc/68/59/44/565685944.db2.gz ULUFVDLISWXAAC-UHFFFAOYSA-N 1 0 384.322 2.973 20 0 GFADRO NC(=O)[C@H](c1ccc(Br)cc1)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647978656 565686188 /nfs/dbraw/zinc/68/61/88/565686188.db2.gz WIACTSNFXGXZLR-INMHGKMJSA-N 1 0 380.330 2.687 20 0 GFADRO COc1ccc(Br)cc1C1(NCc2nc(C(C)(C)[NH3+])no2)CC1 ZINC000647995198 565687609 /nfs/dbraw/zinc/68/76/09/565687609.db2.gz DNDDBUKTLVIJND-UHFFFAOYSA-N 1 0 381.274 2.813 20 0 GFADRO COC(=O)[C@@]1(OC)CC[N@H+](CCCC(=O)c2ccc(Br)cc2)C1 ZINC000599565752 565688867 /nfs/dbraw/zinc/68/88/67/565688867.db2.gz WKVDQQLWHGOILT-QGZVFWFLSA-N 1 0 384.270 2.676 20 0 GFADRO CC[C@@H]1CN(C(=O)N[C@H]2CCN(c3ccc(Br)cc3)C2)CC[C@H]1[NH3+] ZINC000669458039 565689349 /nfs/dbraw/zinc/68/93/49/565689349.db2.gz KUCYKYDHROPTCV-UKPHBRMFSA-N 1 0 395.345 2.797 20 0 GFADRO COc1sc(CN2CCOC3(CC[NH+](C)CC3)C2)cc1Br ZINC000648071956 565689464 /nfs/dbraw/zinc/68/94/64/565689464.db2.gz CUTDIUQXLKPFNA-UHFFFAOYSA-N 1 0 375.332 2.816 20 0 GFADRO Cc1ccc(SCC(F)(F)F)c(NC(=O)NCC[N@@H+]2CC[C@H](O)C2)c1 ZINC000626394026 565690667 /nfs/dbraw/zinc/69/06/67/565690667.db2.gz QMNOJRZWCHGKNK-LBPRGKRZSA-N 1 0 377.432 2.838 20 0 GFADRO CC[C@H](Cc1ccccc1Br)NC(=O)N1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000669531513 565691185 /nfs/dbraw/zinc/69/11/85/565691185.db2.gz SACWWQGAOXRTKF-XNRPHZJLSA-N 1 0 384.318 2.528 20 0 GFADRO CC[C@H](Cc1ccccc1Br)NC(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000669531512 565691767 /nfs/dbraw/zinc/69/17/67/565691767.db2.gz SACWWQGAOXRTKF-JGGQBBKZSA-N 1 0 384.318 2.528 20 0 GFADRO Cc1ccc(F)c(C(=O)N2C[C@@H](C[NH3+])C3(C2)CCOCC3)c1Br ZINC000648147812 565692119 /nfs/dbraw/zinc/69/21/19/565692119.db2.gz PDQWKKNXUZPOEN-GFCCVEGCSA-N 1 0 385.277 2.724 20 0 GFADRO COC(=O)c1cccc(NC(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)c1Br ZINC000599605880 565692951 /nfs/dbraw/zinc/69/29/51/565692951.db2.gz GHJJGPQVBFTAGP-CALCHBBNSA-N 1 0 396.285 2.699 20 0 GFADRO C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000648182224 565693240 /nfs/dbraw/zinc/69/32/40/565693240.db2.gz CTRVPBHPOSKAOZ-RYUDHWBXSA-N 1 0 384.307 2.903 20 0 GFADRO O=C(NCC1C[NH2+]C1)N[C@@H](Cc1ccccn1)c1ccc(Br)cc1 ZINC000669568737 565693487 /nfs/dbraw/zinc/69/34/87/565693487.db2.gz QWYPBPUZDHPVLY-KRWDZBQOSA-N 1 0 389.297 2.647 20 0 GFADRO O=C(NCC[NH2+]C1CC1)N[C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O ZINC000669569041 565693565 /nfs/dbraw/zinc/69/35/65/565693565.db2.gz WIFZXYFZVGXRBZ-CQSZACIVSA-N 1 0 385.295 2.540 20 0 GFADRO O=C(NCC[N@H+]1CC[C@@H](O)C1)Nc1ccc(C(F)(F)F)c(Br)c1 ZINC000626532039 565698206 /nfs/dbraw/zinc/69/82/06/565698206.db2.gz IJJKFMKDGGVHTK-SNVBAGLBSA-N 1 0 396.207 2.656 20 0 GFADRO COc1cc2nc(NCc3ccc(Br)cc3)nc(N)c2cc1OC ZINC000599914009 565705757 /nfs/dbraw/zinc/70/57/57/565705757.db2.gz FSPVIMNIWYXODR-UHFFFAOYSA-N 1 0 389.253 3.026 20 0 GFADRO CC(C)[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000669902410 565707049 /nfs/dbraw/zinc/70/70/49/565707049.db2.gz ZBUMBTBDZWCUJU-MRXNPFEDSA-N 1 0 383.945 2.710 20 0 GFADRO Cc1ccc(-c2csc(NC(=O)C(=O)N[C@@H]3CC[NH2+]C34CCC4)n2)s1 ZINC000626851104 565713043 /nfs/dbraw/zinc/71/30/43/565713043.db2.gz LNPBXDCBPWTHCC-CYBMUJFWSA-N 1 0 376.507 2.519 20 0 GFADRO Cc1ccc(-c2csc(NC(=O)C(=O)N[C@H]3CC[NH2+]C34CCC4)n2)s1 ZINC000626851105 565713284 /nfs/dbraw/zinc/71/32/84/565713284.db2.gz LNPBXDCBPWTHCC-ZDUSSCGKSA-N 1 0 376.507 2.519 20 0 GFADRO Cc1cc(NC(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)ccc1Cl ZINC000626860134 565713342 /nfs/dbraw/zinc/71/33/42/565713342.db2.gz QGKUSTYISLRXDH-JQWIXIFHSA-N 1 0 377.794 2.573 20 0 GFADRO CC(C)c1cc(Br)ccc1NC(=O)C(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000626890947 565714529 /nfs/dbraw/zinc/71/45/29/565714529.db2.gz RNLRDKLOXNDPHO-AAEUAGOBSA-N 1 0 382.302 2.768 20 0 GFADRO C[NH2+]CCOCCNC(=O)NCC1(c2cccc(Br)c2)CCCC1 ZINC000627003466 565718710 /nfs/dbraw/zinc/71/87/10/565718710.db2.gz QNBCGTYDJODIMJ-UHFFFAOYSA-N 1 0 398.345 2.796 20 0 GFADRO C[C@@H]1CC[C@H](NC(=O)NCc2cnn(-c3ccc(Br)cc3)c2)C[NH2+]1 ZINC000627020439 565719671 /nfs/dbraw/zinc/71/96/71/565719671.db2.gz GMBSCSQVOIVRIV-DOMZBBRYSA-N 1 0 392.301 2.575 20 0 GFADRO CCCOC[C@H](Cc1cccc(Br)c1)NC(=O)N(CC)CC[NH3+] ZINC000627015965 565719744 /nfs/dbraw/zinc/71/97/44/565719744.db2.gz FADQSGQUHNHBHU-INIZCTEOSA-N 1 0 386.334 2.777 20 0 GFADRO CC[C@H](COCC(F)(F)F)NC(=O)N1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000627048295 565720930 /nfs/dbraw/zinc/72/09/30/565720930.db2.gz XMZFCSSJPORLKU-AXFHLTTASA-N 1 0 379.345 2.513 20 0 GFADRO O=C(NCCC1CC[NH2+]CC1)NCc1ccc(Br)c(F)c1F ZINC000627111135 565722081 /nfs/dbraw/zinc/72/20/81/565722081.db2.gz OLUQUAYPVKVMEC-UHFFFAOYSA-N 1 0 376.245 2.916 20 0 GFADRO [NH3+]CCCOCCNC(=O)N[C@@H]1CCCCc2cc(Br)ccc21 ZINC000627118168 565722259 /nfs/dbraw/zinc/72/22/59/565722259.db2.gz SGBFMGLPSUYWME-MRXNPFEDSA-N 1 0 384.318 2.881 20 0 GFADRO CN(CCOc1ccc(Br)cc1)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000627133885 565722976 /nfs/dbraw/zinc/72/29/76/565722976.db2.gz FGGFBOZSTCSZPW-OAHLLOKOSA-N 1 0 382.302 2.754 20 0 GFADRO C[N@@H+]1CCCC[C@H](CNC(=O)Cc2ccccc2I)C1 ZINC000600312324 565723252 /nfs/dbraw/zinc/72/32/52/565723252.db2.gz FCYLNCPVBNAZLJ-CYBMUJFWSA-N 1 0 386.277 2.682 20 0 GFADRO C[C@H](CC(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C)n1cc(Br)cn1 ZINC000648719142 565723647 /nfs/dbraw/zinc/72/36/47/565723647.db2.gz ZPPSZGCPSKKOQM-RHSMWYFYSA-N 1 0 393.329 2.886 20 0 GFADRO C[NH2+]CCOCCNC(=O)N1CCC[C@@H]1c1ccc(Br)cc1C ZINC000627169271 565725282 /nfs/dbraw/zinc/72/52/82/565725282.db2.gz HADCWWTVFNNFBA-MRXNPFEDSA-N 1 0 384.318 2.840 20 0 GFADRO CC(C)C[C@@](C)(NC(=O)NC[C@@H]1COCC[NH2+]1)c1cccc(Br)c1 ZINC000627189631 565725779 /nfs/dbraw/zinc/72/57/79/565725779.db2.gz WNBZEXYDDKDHKN-SJLPKXTDSA-N 1 0 398.345 2.998 20 0 GFADRO CC(C)[NH+]1CCC(NC(=O)C(=O)NCCc2ccc(Cl)cc2Cl)CC1 ZINC000670497022 565726026 /nfs/dbraw/zinc/72/60/26/565726026.db2.gz SHFQJNWWTVGSHT-UHFFFAOYSA-N 1 0 386.323 2.641 20 0 GFADRO Cc1cc(Br)ccc1[C@@H]1CCCN1C(=O)NCCOCCC[NH3+] ZINC000627220731 565726871 /nfs/dbraw/zinc/72/68/71/565726871.db2.gz XATYJVICPBIDTP-INIZCTEOSA-N 1 0 384.318 2.969 20 0 GFADRO [NH3+]CCCOCCNC(=O)N1CCC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000627215697 565727563 /nfs/dbraw/zinc/72/75/63/565727563.db2.gz MWUZVGUYJCPZHG-AWEZNQCLSA-N 1 0 390.311 2.912 20 0 GFADRO C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000648797611 565729149 /nfs/dbraw/zinc/72/91/49/565729149.db2.gz YLIPNLYBRWUSJO-IIDMSEBBSA-N 1 0 394.357 2.995 20 0 GFADRO CCc1nn(C)cc1C[NH2+]C[C@H](CO)Cc1ccc(OC)c(Br)c1 ZINC000648787344 565729508 /nfs/dbraw/zinc/72/95/08/565729508.db2.gz ASYPJLAREIXHAG-CQSZACIVSA-N 1 0 396.329 2.694 20 0 GFADRO O=C(COc1c(Cl)cc(Cl)cc1Cl)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000627269822 565730210 /nfs/dbraw/zinc/73/02/10/565730210.db2.gz YJTXMOIPPSEWAR-NWDGAFQWSA-N 1 0 393.698 2.693 20 0 GFADRO C[C@H](NC(=O)C(=O)N1CC[C@@H]2CC[N@H+](C)C[C@H]21)c1ccc(Cl)c(Cl)c1 ZINC000670587546 565730743 /nfs/dbraw/zinc/73/07/43/565730743.db2.gz KKWFZGVURIATAV-MQIPJXDCSA-N 1 0 384.307 2.723 20 0 GFADRO O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)[C@@H]1CCc2cc(Br)ccc21 ZINC000648825129 565732226 /nfs/dbraw/zinc/73/22/26/565732226.db2.gz XIQOSZIADTZZAI-FUHWJXTLSA-N 1 0 393.325 2.848 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)c2c3ccc(Br)cc3nn2C)C[N@@H+]1C1CC1 ZINC000648818728 565732256 /nfs/dbraw/zinc/73/22/56/565732256.db2.gz IBKYZYUWPLWRMT-PWSUYJOCSA-N 1 0 377.286 2.691 20 0 GFADRO CCC(=O)N1CCC([NH2+]C[C@@H](CO)Cc2cccc(Br)c2C)CC1 ZINC000648815245 565732693 /nfs/dbraw/zinc/73/26/93/565732693.db2.gz TYARZDZZWPMRKV-HNNXBMFYSA-N 1 0 397.357 2.899 20 0 GFADRO CN(CCC[NH+]1CCCC1)C(=O)c1c2ccc(Br)cc2nn1C ZINC000648891340 565737302 /nfs/dbraw/zinc/73/73/02/565737302.db2.gz JISASMCOBCEYGY-UHFFFAOYSA-N 1 0 379.302 2.894 20 0 GFADRO C[C@H](CC(=O)N1CCN[C@H](c2ccccc2)C1)n1cc(Br)cn1 ZINC000648925230 565739670 /nfs/dbraw/zinc/73/96/70/565739670.db2.gz APJKEVXOQQKVPJ-CJNGLKHVSA-N 1 0 377.286 2.770 20 0 GFADRO O=C(c1cc(Br)ccc1F)N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000627738063 565749142 /nfs/dbraw/zinc/74/91/42/565749142.db2.gz NIKVOEQMVSERDU-UHFFFAOYSA-N 1 0 385.277 2.915 20 0 GFADRO Cc1ccc(CC(=O)N2CCOC3(CC[NH+](C)CC3)C2)c(Br)c1 ZINC000649128965 565749428 /nfs/dbraw/zinc/74/94/28/565749428.db2.gz GIOPZGAMFDIADM-UHFFFAOYSA-N 1 0 381.314 2.623 20 0 GFADRO C[NH+]1CCC2(CC1)CN(C(=O)c1c[nH]c3cccc(Br)c13)CCO2 ZINC000649131282 565749738 /nfs/dbraw/zinc/74/97/38/565749738.db2.gz FYUOQWPCAPEGNH-UHFFFAOYSA-N 1 0 392.297 2.867 20 0 GFADRO O=C(c1ccc(F)cc1Br)N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000627738002 565749930 /nfs/dbraw/zinc/74/99/30/565749930.db2.gz IHLMQEXZYFMLOT-UHFFFAOYSA-N 1 0 385.277 2.915 20 0 GFADRO Brc1cccc(-c2c[nH]c(C[NH2+]CCOC[C@H]3CCOC3)n2)c1 ZINC000600800049 565750348 /nfs/dbraw/zinc/75/03/48/565750348.db2.gz KBMRKGJCPWZWRJ-ZDUSSCGKSA-N 1 0 380.286 2.982 20 0 GFADRO C[NH+]1CCC2(CC1)CN(C(=O)c1cc(-c3ccc(Cl)s3)on1)CCO2 ZINC000649133851 565750323 /nfs/dbraw/zinc/75/03/23/565750323.db2.gz CHBAHQWQJNSAJM-UHFFFAOYSA-N 1 0 381.885 2.993 20 0 GFADRO O=C(NCc1c(Cl)cccc1Cl)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000671030185 565752021 /nfs/dbraw/zinc/75/20/21/565752021.db2.gz QKHMUDDUUJFTFH-ZDUSSCGKSA-N 1 0 384.307 2.696 20 0 GFADRO C[N@@H+]1CCCC[C@@H](CNC(=O)C(=O)Nc2cc(Cl)c(Cl)cc2F)C1 ZINC000627826190 565755198 /nfs/dbraw/zinc/75/51/98/565755198.db2.gz QTFINYINRAUDGP-JTQLQIEISA-N 1 0 376.259 2.919 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)C(=O)NC[C@@H]1CCCC[N@H+](C)C1 ZINC000627826005 565755213 /nfs/dbraw/zinc/75/52/13/565755213.db2.gz LXBWLEOKZQRWEY-ZDUSSCGKSA-N 1 0 396.329 2.798 20 0 GFADRO CN(C)c1ncc(Br)cc1C(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000649363603 565759565 /nfs/dbraw/zinc/75/95/65/565759565.db2.gz IFFZYUSCHWKGPK-UONOGXRCSA-N 1 0 395.345 2.762 20 0 GFADRO Cc1cc(NC(=O)C(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)ccc1Br ZINC000627905653 565761947 /nfs/dbraw/zinc/76/19/47/565761947.db2.gz SESAZPRYYKETHC-OAHLLOKOSA-N 1 0 394.313 2.829 20 0 GFADRO C[C@@H]([NH2+]Cc1cc(Cl)cc(S(N)(=O)=O)c1)[C@H]1OCCc2sccc21 ZINC000649617421 565768881 /nfs/dbraw/zinc/76/88/81/565768881.db2.gz HSCRRRRLLQUIOA-QLJPJBMISA-N 1 0 386.926 2.841 20 0 GFADRO O=C1CC[C@@H](C[NH2+]C2(Cc3ccc(F)cc3Br)CCOCC2)N1 ZINC000649618182 565769724 /nfs/dbraw/zinc/76/97/24/565769724.db2.gz NVMHYNXDKDSOTO-AWEZNQCLSA-N 1 0 385.277 2.548 20 0 GFADRO CC(C)Oc1cc(C(=O)Nc2ccn(CC[NH+](C)C)n2)ccc1Br ZINC000649663492 565771826 /nfs/dbraw/zinc/77/18/26/565771826.db2.gz HRACQMUATHQMGQ-UHFFFAOYSA-N 1 0 395.301 3.247 20 0 GFADRO Cc1cc(Br)c(F)c(C(=O)N[C@@H](C)CN(C)CCC[NH+](C)C)c1 ZINC000628050785 565771896 /nfs/dbraw/zinc/77/18/96/565771896.db2.gz MSJZIERDIMEVKV-ZDUSSCGKSA-N 1 0 388.325 2.898 20 0 GFADRO C[NH+](C)CCn1cc(NC(=O)[C@@H]2CCOc3ccc(Br)cc32)cn1 ZINC000649679564 565772453 /nfs/dbraw/zinc/77/24/53/565772453.db2.gz TXTGDIJSOQYBHV-CQSZACIVSA-N 1 0 393.285 2.712 20 0 GFADRO CCC[C@H](C)[C@@H](CO)[NH2+]CC(=O)N(C)Cc1cc(Br)cs1 ZINC000649690901 565773392 /nfs/dbraw/zinc/77/33/92/565773392.db2.gz YZDXRLRSTKCZIE-SMDDNHRTSA-N 1 0 377.348 2.856 20 0 GFADRO CC[C@H](C[NH+]1CCCC1)NS(=O)(=O)Cc1ccc(Br)c(F)c1 ZINC000649830297 565780140 /nfs/dbraw/zinc/78/01/40/565780140.db2.gz OMCXAIQWLLDMFR-CYBMUJFWSA-N 1 0 393.322 2.882 20 0 GFADRO C[N@H+](CCCCO)Cc1cc(Cl)cc(Cl)c1OCCN1CCOCC1 ZINC000628248918 565780217 /nfs/dbraw/zinc/78/02/17/565780217.db2.gz ICOPOZOXMOAIFB-UHFFFAOYSA-N 1 0 391.339 2.909 20 0 GFADRO CN(Cc1ncc(Br)cc1F)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000628278767 565781604 /nfs/dbraw/zinc/78/16/04/565781604.db2.gz GVXCOQDRYQLHIN-HNNXBMFYSA-N 1 0 385.325 2.584 20 0 GFADRO O[C@H](COc1ccc(Cl)c(Cl)c1)C[N@@H+]1C[C@H](O)C[C@H]1[C@H]1CCCOC1 ZINC000649832325 565781786 /nfs/dbraw/zinc/78/17/86/565781786.db2.gz BTAZFZMSEVPPTB-AHXJXLJNSA-N 1 0 390.307 2.595 20 0 GFADRO Cc1nn(-c2ccccc2Br)cc1C[N@@H+](C)[C@H]1CCC(=O)N(C)C1 ZINC000628368875 565787614 /nfs/dbraw/zinc/78/76/14/565787614.db2.gz CVIYXGYMMJWCOT-HNNXBMFYSA-N 1 0 391.313 2.996 20 0 GFADRO CC[NH+](CC)CCN(C(=O)c1ccnc(C)n1)c1ccc(Br)cn1 ZINC000649988905 565791122 /nfs/dbraw/zinc/79/11/22/565791122.db2.gz SFZIOTNBENFWRJ-UHFFFAOYSA-N 1 0 392.301 2.931 20 0 GFADRO Cc1csc(C(=O)N2CCC[C@H]3C[NH2+]CC[C@H]32)c1I ZINC000601553060 565791290 /nfs/dbraw/zinc/79/12/90/565791290.db2.gz NGKQCJUJFMBNGX-WDEREUQCSA-N 1 0 390.290 2.875 20 0 GFADRO CCOc1cc(C[NH2+][C@@H]2CCO[C@@H]2c2nc(C)no2)cc(Br)c1O ZINC000628491008 565791510 /nfs/dbraw/zinc/79/15/10/565791510.db2.gz MZAMMPFKLVXDIN-DOMZBBRYSA-N 1 0 398.257 2.865 20 0 GFADRO CC[NH+]1CCN(CC(=O)N2CC(C)(C)c3cc(Br)ccc32)CC1 ZINC000672190980 565797637 /nfs/dbraw/zinc/79/76/37/565797637.db2.gz NSPOHTLAMOQVDD-UHFFFAOYSA-N 1 0 380.330 2.711 20 0 GFADRO CC(C)C[N@H+](C)CCCNC(=O)c1ccc(Br)cc1-n1cncn1 ZINC000650180121 565803226 /nfs/dbraw/zinc/80/32/26/565803226.db2.gz JKANPCJLAPMACI-UHFFFAOYSA-N 1 0 394.317 2.738 20 0 GFADRO O=C([C@@H]1CC[N@@H+](Cc2cn3cc(Br)ccc3n2)C1)N1CCCC1 ZINC000672572797 565812537 /nfs/dbraw/zinc/81/25/37/565812537.db2.gz PQEVWTJMIOHCEY-CYBMUJFWSA-N 1 0 377.286 2.541 20 0 GFADRO C[N@H+](CC(=O)NCc1ccc(Br)c(F)c1F)[C@H]1CCSC1 ZINC000628894026 565813967 /nfs/dbraw/zinc/81/39/67/565813967.db2.gz VSIAGTSLPCVCIQ-JTQLQIEISA-N 1 0 379.270 2.781 20 0 GFADRO COC(=O)c1ccc(C[NH2+]Cc2cc(Br)c(OC)c(OC)c2)n1C ZINC000601998473 565814960 /nfs/dbraw/zinc/81/49/60/565814960.db2.gz GSMOMTWENXLALC-UHFFFAOYSA-N 1 0 397.269 2.881 20 0 GFADRO COC(=O)c1ccc(C[NH2+][C@](C)(CO)c2ccc(Br)cc2)n1C ZINC000602015903 565815613 /nfs/dbraw/zinc/81/56/13/565815613.db2.gz KCTIKWFXFKRZQH-QGZVFWFLSA-N 1 0 381.270 2.572 20 0 GFADRO COC(=O)c1ccc(C[NH2+][C@@](C)(CO)c2ccc(Br)cc2)n1C ZINC000602015902 565815995 /nfs/dbraw/zinc/81/59/95/565815995.db2.gz KCTIKWFXFKRZQH-KRWDZBQOSA-N 1 0 381.270 2.572 20 0 GFADRO O=C(NC[C@H]1CC[N@@H+]1C1CCCC1)c1cc(Br)cc2c1OCCO2 ZINC000628965822 565817024 /nfs/dbraw/zinc/81/70/24/565817024.db2.gz CADDUTOOGFZXFG-CQSZACIVSA-N 1 0 395.297 2.967 20 0 GFADRO CO[C@H](C(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1)[C@H]1CCOC1 ZINC000628969019 565817349 /nfs/dbraw/zinc/81/73/49/565817349.db2.gz JESIQZLWZBSYTP-RCBQFDQVSA-N 1 0 375.296 2.764 20 0 GFADRO C[C@@H](NC(=O)NCCn1cc(Br)cn1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000673011748 565825271 /nfs/dbraw/zinc/82/52/71/565825271.db2.gz TXTYUMACTOJAGD-ZIAGYGMSSA-N 1 0 398.349 2.598 20 0 GFADRO CC1(C)CN(C(=O)N[C@@H]2C[C@H]2c2ccc(Cl)cc2Cl)CC[N@@H+]1CCO ZINC000673055788 565826202 /nfs/dbraw/zinc/82/62/02/565826202.db2.gz DBHVOOGHGBSLHN-GOEBONIOSA-N 1 0 386.323 2.947 20 0 GFADRO CSC1(CNC(=O)CC2CCN(CC(F)(F)F)CC2)CC[NH+](C)CC1 ZINC000602155172 565826909 /nfs/dbraw/zinc/82/69/09/565826909.db2.gz ZVMYJWLNOZNBGH-UHFFFAOYSA-N 1 0 381.508 2.594 20 0 GFADRO C[N@@H+]1C[C@H]2CCN(C(=O)c3ccc4[nH]cc(I)c4c3)[C@H]2C1 ZINC000602157755 565827095 /nfs/dbraw/zinc/82/70/95/565827095.db2.gz CPDAMWNUQXOLCQ-ABAIWWIYSA-N 1 0 395.244 2.549 20 0 GFADRO O=C(C[C@@H]1CCS(=O)(=O)C1)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000650681809 565830537 /nfs/dbraw/zinc/83/05/37/565830537.db2.gz PBDGMRQWLOOLMB-HNNXBMFYSA-N 1 0 382.551 2.638 20 0 GFADRO C[NH+](C)C1CC(NC(=O)[C@H](c2ccc(Cl)cc2Cl)N2CCOCC2)C1 ZINC000673445069 565835202 /nfs/dbraw/zinc/83/52/02/565835202.db2.gz VICFWDQQCYTMEI-KVULBXGLSA-N 1 0 386.323 2.576 20 0 GFADRO COCC[N@@H+]1CCN(C(=O)c2cc(Br)cc(N(C)C)c2)C(C)(C)C1 ZINC000650828934 565836876 /nfs/dbraw/zinc/83/68/76/565836876.db2.gz ZQMFRKIGZNNKRF-UHFFFAOYSA-N 1 0 398.345 2.698 20 0 GFADRO Cc1cc(Br)cc2cc(C(=O)N3CC[C@@H]([N@@H+]4CC[C@H](O)C4)C3)oc21 ZINC000673515573 565839104 /nfs/dbraw/zinc/83/91/04/565839104.db2.gz CVWQQFQPXLYKOZ-CABCVRRESA-N 1 0 393.281 2.785 20 0 GFADRO CC(C)Oc1cc(C(=O)NCCCN2CC[NH+](C)CC2)ccc1Br ZINC000651023176 565842508 /nfs/dbraw/zinc/84/25/08/565842508.db2.gz GMDRZXDGOJSCGS-UHFFFAOYSA-N 1 0 398.345 2.604 20 0 GFADRO C[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)C1([S@](C)=O)CC[NH2+]CC1 ZINC000602447874 565848942 /nfs/dbraw/zinc/84/89/42/565848942.db2.gz BUKVDXPCYHWNJE-RULNZOCKSA-N 1 0 377.337 2.541 20 0 GFADRO COC(=O)c1ccc(C[NH+]2CCC(n3cc(Br)cn3)CC2)n1C ZINC000602471136 565850114 /nfs/dbraw/zinc/85/01/14/565850114.db2.gz FYLUYRFKXOLBHE-UHFFFAOYSA-N 1 0 381.274 2.608 20 0 GFADRO CN(C)S(=O)(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccc(Cl)c(Cl)c1 ZINC000673869468 565851608 /nfs/dbraw/zinc/85/16/08/565851608.db2.gz FMPCOIWLRHGLCE-CYBMUJFWSA-N 1 0 380.341 2.744 20 0 GFADRO C[C@H](Cc1c(Cl)cccc1Cl)NC(=O)C1([S@@](C)=O)CC[NH2+]CC1 ZINC000602514306 565853004 /nfs/dbraw/zinc/85/30/04/565853004.db2.gz SSTNKVSEBRIJQG-QVQLBTGDSA-N 1 0 377.337 2.541 20 0 GFADRO CS(=O)(=O)[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(I)s2)C1 ZINC000602557153 565855093 /nfs/dbraw/zinc/85/50/93/565855093.db2.gz MWPIZZFIFBCZSG-MWLCHTKSSA-N 1 0 399.319 2.798 20 0 GFADRO C[C@H](CNc1ncc(Br)c2ccc(F)cc21)N1CC[NH+](C)CC1 ZINC000651305106 565855277 /nfs/dbraw/zinc/85/52/77/565855277.db2.gz HEQKMBXYPUDRSD-GFCCVEGCSA-N 1 0 381.293 3.184 20 0 GFADRO COC(=O)c1cc(C[NH2+]CCC(=O)Nc2ccc(Br)cc2C)on1 ZINC000602606561 565857405 /nfs/dbraw/zinc/85/74/05/565857405.db2.gz APZSRIHHUFJMEP-UHFFFAOYSA-N 1 0 396.241 2.651 20 0 GFADRO COC(=O)c1csc(C[NH2+]C2CCN(C(=O)c3cc(Cl)c[nH]3)CC2)c1 ZINC000602655597 565860738 /nfs/dbraw/zinc/86/07/38/565860738.db2.gz QAGKNJRXWDCUMW-UHFFFAOYSA-N 1 0 381.885 2.911 20 0 GFADRO O=S1(=O)CC[C@](O)(C[NH2+][C@@H](Cc2ccccc2Cl)c2ccccc2)C1 ZINC000651391920 565861766 /nfs/dbraw/zinc/86/17/66/565861766.db2.gz KUZOQHZVBHUMHV-OALUTQOASA-N 1 0 379.909 2.763 20 0 GFADRO COCCOCC[NH+]1CCN(c2ccnc3cc(Br)ccc32)CC1 ZINC000651485520 565865903 /nfs/dbraw/zinc/86/59/03/565865903.db2.gz CLPCGHNBUHWYOW-UHFFFAOYSA-N 1 0 394.313 2.782 20 0 GFADRO CCc1ccc(-c2csc(NC(=O)C(=O)N[C@@H]3CCC[N@H+](C)C3)n2)s1 ZINC000651531375 565868812 /nfs/dbraw/zinc/86/88/12/565868812.db2.gz GZFYFQSNYMYGSM-LLVKDONJSA-N 1 0 378.523 2.583 20 0 GFADRO CC(=O)N1CCC([NH2+][C@H](C)C(=O)Nc2ccc(Br)c(C)c2)CC1 ZINC000629942900 565876483 /nfs/dbraw/zinc/87/64/83/565876483.db2.gz VBYFDZPYALSNNR-GFCCVEGCSA-N 1 0 382.302 2.685 20 0 GFADRO Cc1cc(Br)c(C[NH2+]C[C@H]2CCC[C@@]23NC(=O)N(C)C3=O)s1 ZINC000651584016 565876515 /nfs/dbraw/zinc/87/65/15/565876515.db2.gz SPNAAPJQMNBXLU-MEBBXXQBSA-N 1 0 386.315 2.629 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)C[N@@H+](C)C1CCC1 ZINC000629955740 565878228 /nfs/dbraw/zinc/87/82/28/565878228.db2.gz LQYNIVKHAZKUSB-UHFFFAOYSA-N 1 0 382.302 2.687 20 0 GFADRO CC(C)N(Cc1ccc(Br)cc1)C(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000630026421 565879887 /nfs/dbraw/zinc/87/98/87/565879887.db2.gz KKBFQSQCUZGOAG-KRWDZBQOSA-N 1 0 380.330 2.576 20 0 GFADRO COCCSCCCn1cc([C@H]([NH3+])c2ccc(Br)cc2)nn1 ZINC000603232905 565891051 /nfs/dbraw/zinc/89/10/51/565891051.db2.gz XDECBBQCGOAGBY-OAHLLOKOSA-N 1 0 385.331 2.858 20 0 GFADRO C[NH+](C)C[C@H](CNS(=O)(=O)CCC[C@@H]1CCOC1)c1ccc(Cl)cc1 ZINC000651765008 565891529 /nfs/dbraw/zinc/89/15/29/565891529.db2.gz ZZVHETSUUYCRMM-WBVHZDCISA-N 1 0 388.961 2.721 20 0 GFADRO C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N(C)[C@@H]1C[NH+]2CCC1CC2 ZINC000603272866 565893199 /nfs/dbraw/zinc/89/31/99/565893199.db2.gz HOOYXVAZXMVJCZ-IAQYHMDHSA-N 1 0 384.307 2.664 20 0 GFADRO COC(=O)c1cc(NC(=O)NCCC(C)(C)[NH3+])cc(Br)c1F ZINC000603429945 565905144 /nfs/dbraw/zinc/90/51/44/565905144.db2.gz COAAVSZNTVLCLC-UHFFFAOYSA-N 1 0 376.226 2.624 20 0 GFADRO C[C@@H](c1ccc(F)c(Br)c1)n1cc(CCN2CCC([NH3+])CC2)nn1 ZINC000630593655 565911399 /nfs/dbraw/zinc/91/13/99/565911399.db2.gz OSOBACPGGHJIQS-LBPRGKRZSA-N 1 0 396.308 2.755 20 0 GFADRO [NH3+]Cc1ccc(CNC(=O)NCCNc2ncc(Cl)cc2Cl)c(F)c1 ZINC000652130262 565916958 /nfs/dbraw/zinc/91/69/58/565916958.db2.gz HGLWGAVJIVAJEH-UHFFFAOYSA-N 1 0 386.258 2.898 20 0 GFADRO [NH3+]CC1(CCNC(=O)N2CCO[C@H](c3cccc(Br)c3)C2)CC1 ZINC000652242496 565919334 /nfs/dbraw/zinc/91/93/34/565919334.db2.gz XQUGGMYLLNSKMT-HNNXBMFYSA-N 1 0 382.302 2.661 20 0 GFADRO C[NH+](C)CCn1cc(C(=O)NC2(c3ccc(Br)cc3)CC2)cn1 ZINC000630781473 565919505 /nfs/dbraw/zinc/91/95/05/565919505.db2.gz GJBWBVVTBKRCBP-UHFFFAOYSA-N 1 0 377.286 2.626 20 0 GFADRO C[NH+](C)CCCOc1cnccc1CNC(=O)c1nscc1Br ZINC000652228544 565919954 /nfs/dbraw/zinc/91/99/54/565919954.db2.gz JZJOZYIDOWGGLM-UHFFFAOYSA-N 1 0 399.314 2.561 20 0 GFADRO Clc1ccc2c(c1Cl)CC[C@@H]2[NH2+][C@@H]1CCN(CCN2CCOCC2)C1 ZINC000675886642 565920133 /nfs/dbraw/zinc/92/01/33/565920133.db2.gz KEFQTQPPTJKLRJ-KDOFPFPSSA-N 1 0 384.351 2.977 20 0 GFADRO O=C(Nc1cccc(C[N@H+]2CC[C@H](O)C2)c1)c1nscc1Br ZINC000652266605 565920271 /nfs/dbraw/zinc/92/02/71/565920271.db2.gz HGDSRYDQUXOYPA-LBPRGKRZSA-N 1 0 382.283 2.725 20 0 GFADRO Cc1c([C@H](C)[NH2+]CC[C@]2(O)CCOC2)nnn1-c1cccc(Br)c1 ZINC000652264400 565920884 /nfs/dbraw/zinc/92/08/84/565920884.db2.gz JGYPGHOQEOOKAY-SJCJKPOMSA-N 1 0 395.301 2.530 20 0 GFADRO O=C(COc1ccc(Br)cn1)N1CCC([NH+]2CCCCC2)CC1 ZINC000630821518 565921856 /nfs/dbraw/zinc/92/18/56/565921856.db2.gz FPJRPCSICMPKSG-UHFFFAOYSA-N 1 0 382.302 2.700 20 0 GFADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)N[C@H](CO)c1cccc(Br)c1 ZINC000676003111 565923194 /nfs/dbraw/zinc/92/31/94/565923194.db2.gz YAHQPNNJYODMGF-JKSUJKDBSA-N 1 0 384.318 2.656 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(S(=O)(=O)c3c(Cl)cccc3Cl)C2)C1 ZINC000652375612 565925779 /nfs/dbraw/zinc/92/57/79/565925779.db2.gz VNPDFYSOWJHZNP-JMSVASOKSA-N 1 0 393.336 2.900 20 0 GFADRO COc1ccc(S(=O)(=O)N2CCC[C@H](C)[C@@H]2CC[NH3+])c(Br)c1 ZINC000652377690 565926794 /nfs/dbraw/zinc/92/67/94/565926794.db2.gz NCBITXMIUUDXFJ-FZMZJTMJSA-N 1 0 391.331 2.596 20 0 GFADRO C[NH+](C)CCOc1cccc(CNC(=O)c2c(F)cncc2Br)c1 ZINC000630908768 565927119 /nfs/dbraw/zinc/92/71/19/565927119.db2.gz NZRJCGRHBJBHFM-UHFFFAOYSA-N 1 0 396.260 2.854 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2S(=O)(=O)c2cc(Cl)ccc2F)C1 ZINC000652383415 565927640 /nfs/dbraw/zinc/92/76/40/565927640.db2.gz QRWKRFOKKIISFK-SNPRPXQTSA-N 1 0 376.881 2.529 20 0 GFADRO CCO[C@@H]1CN(C(=O)Nc2ccc(Br)cc2Cl)C[C@H]1C[NH3+] ZINC000652562674 565933681 /nfs/dbraw/zinc/93/36/81/565933681.db2.gz LQBIWHWGXQWVAN-NOZJJQNGSA-N 1 0 376.682 2.930 20 0 GFADRO CN(C)[C@H](C[NH2+]Cc1ccc(Cl)c(S(N)(=O)=O)c1)c1ccc(F)cc1 ZINC000631047812 565934641 /nfs/dbraw/zinc/93/46/41/565934641.db2.gz VGNBCAJQWYFMGL-MRXNPFEDSA-N 1 0 385.892 2.519 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(C(=O)Nc3cc(Br)ccn3)C2)C1 ZINC000652599507 565934765 /nfs/dbraw/zinc/93/47/65/565934765.db2.gz FZHNWMPMCHOQEA-BNOWGMLFSA-N 1 0 383.290 2.594 20 0 GFADRO [NH3+]CC1(CCNC(=O)C(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)CC1 ZINC000652712869 565938164 /nfs/dbraw/zinc/93/81/64/565938164.db2.gz CFJQLLSTUFXXLK-HNNXBMFYSA-N 1 0 384.307 2.902 20 0 GFADRO O=C1COc2ccccc2N1CCC[NH2+]Cc1ccncc1Br ZINC000631078809 565938922 /nfs/dbraw/zinc/93/89/22/565938922.db2.gz KKVDFCWKZGMTLM-UHFFFAOYSA-N 1 0 376.254 2.749 20 0 GFADRO NS(=O)(=O)c1cccc(F)c1NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000631084329 565940377 /nfs/dbraw/zinc/94/03/77/565940377.db2.gz AGZHSIHBOFQKQM-ZDUSSCGKSA-N 1 0 383.514 2.859 20 0 GFADRO COc1cc(C[NH2+]CCC2CCS(=O)(=O)CC2)c(F)cc1Br ZINC000631104427 565941694 /nfs/dbraw/zinc/94/16/94/565941694.db2.gz SDKDHVKLXNKLIV-UHFFFAOYSA-N 1 0 394.306 2.901 20 0 GFADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)NCCc2ccc(Br)cc2)C1 ZINC000605019065 565943611 /nfs/dbraw/zinc/94/36/11/565943611.db2.gz LRQQLNBVSAFMTC-KRWDZBQOSA-N 1 0 398.345 2.648 20 0 GFADRO C[N@@H+]1CCC[C@H](NC(=O)c2nn(-c3ccc(F)cc3)cc2Br)C1 ZINC000605126845 565946877 /nfs/dbraw/zinc/94/68/77/565946877.db2.gz ROJBOHSSQRRJKQ-LBPRGKRZSA-N 1 0 381.249 2.598 20 0 GFADRO CCC[C@@H](CCO)[NH2+]Cc1cc(Br)ccc1O[C@H](C)C(=O)NC ZINC000631200969 565948299 /nfs/dbraw/zinc/94/82/99/565948299.db2.gz YTMWLDCUKZGAJM-DOMZBBRYSA-N 1 0 387.318 2.603 20 0 GFADRO CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)Nc1cc(Cl)c(OC)c(Cl)c1 ZINC000605249414 565949111 /nfs/dbraw/zinc/94/91/11/565949111.db2.gz ZIOVIQKEEGELNW-LBPRGKRZSA-N 1 0 388.295 2.931 20 0 GFADRO CC[C@H](C(=O)N(C)CC(=O)Nc1ccccc1Br)[NH+](CC)CC ZINC000605424263 565951389 /nfs/dbraw/zinc/95/13/89/565951389.db2.gz MAUQYXOYNWVNFG-OAHLLOKOSA-N 1 0 384.318 2.966 20 0 GFADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)c1cc(Br)c2c(c1)OCCO2 ZINC000605373590 565951547 /nfs/dbraw/zinc/95/15/47/565951547.db2.gz WTZBIJVTHVRSNN-ZDUSSCGKSA-N 1 0 383.286 2.825 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)CCC[N@@H+]1CC[C@@H](CC(N)=O)C1 ZINC000676870901 565951770 /nfs/dbraw/zinc/95/17/70/565951770.db2.gz IBEKEPRAYXLXKF-AWEZNQCLSA-N 1 0 396.329 2.982 20 0 GFADRO CCOc1cc(C[NH2+]CCc2nncn2CC)cc(Br)c1OC ZINC000605439487 565951945 /nfs/dbraw/zinc/95/19/45/565951945.db2.gz NGYDSNWTPWCEFR-UHFFFAOYSA-N 1 0 383.290 2.800 20 0 GFADRO CC[NH+]1CCN([C@@H](C)CNC(=O)c2oc3ccccc3c2Br)CC1 ZINC000631280715 565952740 /nfs/dbraw/zinc/95/27/40/565952740.db2.gz MBEWLSLNOYCSTQ-ZDUSSCGKSA-N 1 0 394.313 2.951 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653083379 565954359 /nfs/dbraw/zinc/95/43/59/565954359.db2.gz XRUMOJBMDFVXFC-GJZGRUSLSA-N 1 0 394.313 2.733 20 0 GFADRO O=C(NC[C@@H]1CCN(c2ccc(Br)cc2)C1)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653112132 565955001 /nfs/dbraw/zinc/95/50/01/565955001.db2.gz NBLXJGIHBRSJJJ-DOPJRALCSA-N 1 0 392.341 2.922 20 0 GFADRO [NH3+][C@@H]1CCC[C@H]1CC(=O)NCc1nc(-c2cccc(Br)c2)no1 ZINC000653160538 565956078 /nfs/dbraw/zinc/95/60/78/565956078.db2.gz MARHYGDNKANIMF-GXFFZTMASA-N 1 0 379.258 2.633 20 0 GFADRO O=C([C@H]1CC[C@@H](C2CC2)[NH2+]1)N1CCN(Cc2ccc(Br)cc2)CC1 ZINC000653168189 565957505 /nfs/dbraw/zinc/95/75/05/565957505.db2.gz SGFPWBGDCJXUJA-ZWKOTPCHSA-N 1 0 392.341 2.624 20 0 GFADRO O=C(c1cc(Br)c2nccn2c1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000631448178 565958934 /nfs/dbraw/zinc/95/89/34/565958934.db2.gz HQZYKNXGTSKVMJ-CYBMUJFWSA-N 1 0 377.286 2.655 20 0 GFADRO CCO[C@@H]1CN(C(=O)[C@@H](C)Cc2ccc(F)c(Br)c2)C[C@H]1C[NH3+] ZINC000653248156 565960744 /nfs/dbraw/zinc/96/07/44/565960744.db2.gz GAZLSCHIQPEGPE-NORZTCDRSA-N 1 0 387.293 2.589 20 0 GFADRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2ccc3cncc(Br)c3n2)C1 ZINC000631558428 565962818 /nfs/dbraw/zinc/96/28/18/565962818.db2.gz MXROHKAQCVDQFF-GFCCVEGCSA-N 1 0 377.286 2.806 20 0 GFADRO O=C(N=c1cc(-c2ccc(Br)s2)[nH][nH]1)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653346207 565963521 /nfs/dbraw/zinc/96/35/21/565963521.db2.gz MOECMBSOQHKJJS-NXEZZACHSA-N 1 0 381.299 2.792 20 0 GFADRO CC[N@@H+]1CCN(C(=O)[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C[C@H]1C ZINC000677194083 565964175 /nfs/dbraw/zinc/96/41/75/565964175.db2.gz QCXGCZRVQSORCK-TZMCWYRMSA-N 1 0 384.307 2.899 20 0 GFADRO CCC[C@H](CCO)[NH2+][C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000631669786 565966234 /nfs/dbraw/zinc/96/62/34/565966234.db2.gz RSPIFWRYUNIJAZ-OCCSQVGLSA-N 1 0 376.316 2.808 20 0 GFADRO OC1(C[NH2+]Cc2cc(Br)c3c(c2)OCCO3)Cc2ccccc2C1 ZINC000606472623 565966356 /nfs/dbraw/zinc/96/63/56/565966356.db2.gz BPMYVJSSUHCRIQ-UHFFFAOYSA-N 1 0 390.277 2.840 20 0 GFADRO CCn1ccnc1C[NH2+]CCC(=O)N(C)Cc1ccccc1Br ZINC000606470006 565966528 /nfs/dbraw/zinc/96/65/28/565966528.db2.gz CRVUNOQGPXKTSA-UHFFFAOYSA-N 1 0 379.302 2.804 20 0 GFADRO CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3cn4cc(Br)ccc4n3)[C@H]2C1 ZINC000677267006 565968144 /nfs/dbraw/zinc/96/81/44/565968144.db2.gz MKBJHPLVZRKFDD-RRQGHBQHSA-N 1 0 391.313 2.833 20 0 GFADRO CN1C(=O)N(C[C@H]2C[C@@H]([NH+](C)C)C2)C(=O)[C@@H]1c1cccc(Br)c1 ZINC000653521393 565970307 /nfs/dbraw/zinc/97/03/07/565970307.db2.gz XADBSTIDEDEZQN-GLQYFDAESA-N 1 0 380.286 2.724 20 0 GFADRO COCCN(C)C[C@H](O)C[NH2+][C@@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000653622874 565974685 /nfs/dbraw/zinc/97/46/85/565974685.db2.gz ZFQIHHCQDJJFIY-IAGOWNOFSA-N 1 0 389.309 2.568 20 0 GFADRO COCCN(C)C[C@@H](O)C[NH2+][C@@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000653622873 565974925 /nfs/dbraw/zinc/97/49/25/565974925.db2.gz ZFQIHHCQDJJFIY-DLBZAZTESA-N 1 0 389.309 2.568 20 0 GFADRO C[C@H](NS(=O)(=O)CCCN1CC[NH+](C)CC1)c1cc(Cl)ccc1Cl ZINC000631817346 565977389 /nfs/dbraw/zinc/97/73/89/565977389.db2.gz ZJHKBDHUYJWTJU-ZDUSSCGKSA-N 1 0 394.368 2.611 20 0 GFADRO O=S(=O)(c1ccc(C(F)(F)C(F)(F)F)cc1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000631939208 565984581 /nfs/dbraw/zinc/98/45/81/565984581.db2.gz VEVRGDMTNKNAOS-GXFFZTMASA-N 1 0 384.370 2.713 20 0 GFADRO O=S(=O)(c1cscc1Br)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000631940661 565984996 /nfs/dbraw/zinc/98/49/96/565984996.db2.gz DCQHRVMLGBXGDV-QWRGUYRKSA-N 1 0 379.345 2.521 20 0 GFADRO O=C1C[C@H]([C@H]2CCCC[N@H+]2Cc2cn3cc(Br)ccc3n2)CN1 ZINC000677903433 565986616 /nfs/dbraw/zinc/98/66/16/565986616.db2.gz VUSIVFBTGBZKBB-SWLSCSKDSA-N 1 0 377.286 2.587 20 0 GFADRO CN(C(=O)[C@@H]1CCN(c2cc(Cl)ccc2Cl)C1=O)[C@H]1CCC[N@H+](C)C1 ZINC000607686807 565987038 /nfs/dbraw/zinc/98/70/38/565987038.db2.gz TWBKYIVKHVXXNP-KBPBESRZSA-N 1 0 384.307 2.899 20 0 GFADRO CCOc1ccc(Br)cc1S(=O)(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000631975252 565987474 /nfs/dbraw/zinc/98/74/74/565987474.db2.gz CFLZOWYUQCANCA-AULYBMBSSA-N 1 0 391.331 2.644 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(Cl)c(NS(C)(=O)=O)c2)[C@H](C)C1 ZINC000607664307 565987590 /nfs/dbraw/zinc/98/75/90/565987590.db2.gz BMMAGKBZLDJOSC-WBMJQRKESA-N 1 0 387.933 2.514 20 0 GFADRO C[C@H]1C[C@H](NC(=O)CCNC(=O)Nc2ccc(Br)cc2)CC[N@@H+]1C ZINC000607690172 565988050 /nfs/dbraw/zinc/98/80/50/565988050.db2.gz DYUYJXZVUWIVQK-SWLSCSKDSA-N 1 0 397.317 2.560 20 0 GFADRO Cc1csc(-c2ccc(S(=O)(=O)N3CCC[C@H]4C[NH2+]CC[C@H]43)cc2)n1 ZINC000631993160 565989782 /nfs/dbraw/zinc/98/97/82/565989782.db2.gz LQYFKUODGRGYTE-DOTOQJQBSA-N 1 0 377.535 2.881 20 0 GFADRO COc1ccc(S(=O)(=O)N2CCC[C@@H]3C[NH2+]CC[C@@H]32)c(Cl)c1Cl ZINC000631994671 565989924 /nfs/dbraw/zinc/98/99/24/565989924.db2.gz PMLNMOHSSJBBFC-MNOVXSKESA-N 1 0 379.309 2.765 20 0 GFADRO CC(C)(Cc1ccc(Br)cc1)[NH2+]CC(=O)N1CCOC[C@@H]1C1CC1 ZINC000678002952 565993273 /nfs/dbraw/zinc/99/32/73/565993273.db2.gz LNKOILQZLLKQNQ-QGZVFWFLSA-N 1 0 395.341 2.997 20 0 GFADRO OCCCOC1CC[NH+](Cc2cnn(-c3ccc(Br)cc3)c2)CC1 ZINC000678280905 566004312 /nfs/dbraw/zinc/00/43/12/566004312.db2.gz JPLLUVCWGAEUKI-UHFFFAOYSA-N 1 0 394.313 2.998 20 0 GFADRO COc1cc(CN2C[C@@H]3C[NH2+]C[C@H]3C2)cc(Br)c1OC(F)F ZINC000678342993 566007458 /nfs/dbraw/zinc/00/74/58/566007458.db2.gz KCUYDYLONQTPFR-QWRGUYRKSA-N 1 0 377.229 2.710 20 0 GFADRO COc1c(Br)cc(Br)cc1CN1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000678343306 566008618 /nfs/dbraw/zinc/00/86/18/566008618.db2.gz PKUXSGDACFEAFI-QWRGUYRKSA-N 1 0 390.119 2.871 20 0 GFADRO O=C(N[C@H]1CC[N@@H+](C2CC2)C1)N1CCOc2cccc(Br)c2C1 ZINC000654444815 566009986 /nfs/dbraw/zinc/00/99/86/566009986.db2.gz CVYSQZLHIGDMLF-LBPRGKRZSA-N 1 0 380.286 2.590 20 0 GFADRO C[C@H]1C[C@H](NC(=O)N2CCOc3cccc(Br)c3C2)CC[N@@H+]1C ZINC000654462537 566011260 /nfs/dbraw/zinc/01/12/60/566011260.db2.gz ZXIHBEALMHRFIE-QWHCGFSZSA-N 1 0 382.302 2.836 20 0 GFADRO C[C@@H](Cc1ccc(Br)cc1F)[NH2+][C@H]1CCN(C2CCOCC2)C1=O ZINC000678593897 566013914 /nfs/dbraw/zinc/01/39/14/566013914.db2.gz AXYLRSHFDWAJER-SJCJKPOMSA-N 1 0 399.304 2.889 20 0 GFADRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CC(=O)Nc3ccc(Br)cc32)C1 ZINC000654549609 566013904 /nfs/dbraw/zinc/01/39/04/566013904.db2.gz YIBGHSUFBCQUFW-DZGCQCFKSA-N 1 0 394.313 2.816 20 0 GFADRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CC(=O)Nc3ccc(Br)cc32)C1 ZINC000654549612 566014017 /nfs/dbraw/zinc/01/40/17/566014017.db2.gz YIBGHSUFBCQUFW-ZFWWWQNUSA-N 1 0 394.313 2.816 20 0 GFADRO CC[NH+](CC)C[C@@H]1CCN(C(=O)CNC(=O)c2ccc(Cl)cc2Cl)C1 ZINC000608478706 566015299 /nfs/dbraw/zinc/01/52/99/566015299.db2.gz WXCKDEWYUIXYAH-ZDUSSCGKSA-N 1 0 386.323 2.914 20 0 GFADRO O=S(=O)(NCC1CC[NH+](C2CC2)CC1)c1cscc1Br ZINC000632282706 566016840 /nfs/dbraw/zinc/01/68/40/566016840.db2.gz ISFCJLMBFKVPDH-UHFFFAOYSA-N 1 0 379.345 2.663 20 0 GFADRO C[C@H](CNC(=O)NC[C@@H]1CCC[N@H+](C)C1)Oc1ccc(Br)cc1 ZINC000608675517 566020118 /nfs/dbraw/zinc/02/01/18/566020118.db2.gz GVFCRJIXCLUZEX-KGLIPLIRSA-N 1 0 384.318 2.857 20 0 GFADRO CC(C)[C@H]([NH2+]C[C@@H](O)COc1c(Cl)cccc1Cl)C(=O)N1CCCC1 ZINC000678777894 566020721 /nfs/dbraw/zinc/02/07/21/566020721.db2.gz SCFKUEDWFKFMKN-CJNGLKHVSA-N 1 0 389.323 2.970 20 0 GFADRO COc1ccc([C@H](C)[NH2+]CCCN2CCCS2(=O)=O)c(Br)c1 ZINC000678926248 566025120 /nfs/dbraw/zinc/02/51/20/566025120.db2.gz IRBBWKRGEGUWOO-LBPRGKRZSA-N 1 0 391.331 2.534 20 0 GFADRO C[NH+](C)CC1CN(S(=O)(=O)c2ccc3cc(Br)ccc3c2)C1 ZINC000632382091 566026914 /nfs/dbraw/zinc/02/69/14/566026914.db2.gz APOHCWQICATCPF-UHFFFAOYSA-N 1 0 383.311 2.784 20 0 GFADRO C[C@H]([NH2+]C[C@H]1CCC[C@@]12NC(=O)N(C)C2=O)c1sccc1Br ZINC000679066084 566029413 /nfs/dbraw/zinc/02/94/13/566029413.db2.gz PEECGXREENRTPN-FEUHOPSXSA-N 1 0 386.315 2.882 20 0 GFADRO COC[C@](C)(CO)[NH2+]Cc1cc(Br)c(OC(F)F)c(OC)c1 ZINC000679117593 566030697 /nfs/dbraw/zinc/03/06/97/566030697.db2.gz KLOZVGFUBYRHFW-AWEZNQCLSA-N 1 0 384.217 2.546 20 0 GFADRO CC[NH+](CC)CC[C@H](CO)NC(=O)CCc1ccc(Br)cc1F ZINC000655047780 566037784 /nfs/dbraw/zinc/03/77/84/566037784.db2.gz PTSHMLTWYKNWHG-OAHLLOKOSA-N 1 0 389.309 2.730 20 0 GFADRO COCCN1CC[C@H]([NH2+][C@@H](c2ccc(Br)cc2)[C@@H]2CCCO2)C1 ZINC000679341095 566038708 /nfs/dbraw/zinc/03/87/08/566038708.db2.gz JNMJHIVLNYDLJJ-BZSNNMDCSA-N 1 0 383.330 2.980 20 0 GFADRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)c1ccc(F)cc1I ZINC000609664507 566048763 /nfs/dbraw/zinc/04/87/63/566048763.db2.gz MAAUVYQVIYVLDS-NSHDSACASA-N 1 0 390.240 2.844 20 0 GFADRO O=S(=O)(Nc1ccccc1)[C@H]1CCC[N@@H+](CCCOCC(F)(F)F)C1 ZINC000679825531 566053288 /nfs/dbraw/zinc/05/32/88/566053288.db2.gz AGCKCZHMPCPGIE-HNNXBMFYSA-N 1 0 380.432 2.862 20 0 GFADRO O=C(NC1(c2ccc(Br)cc2)CCOCC1)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000655429316 566055827 /nfs/dbraw/zinc/05/58/27/566055827.db2.gz QODOQGWHWIXPRX-FUHWJXTLSA-N 1 0 393.325 2.961 20 0 GFADRO O=C(Nc1cc(Br)ccc1N1CCOCC1)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000655442859 566057296 /nfs/dbraw/zinc/05/72/96/566057296.db2.gz DKQFMVORTGBDLV-KDOFPFPSSA-N 1 0 394.313 2.614 20 0 GFADRO Cc1c(Br)cccc1CS(=O)(=O)NCC[N@H+]1CC[C@H](C)C1 ZINC000655529206 566063551 /nfs/dbraw/zinc/06/35/51/566063551.db2.gz POZOCYQOCJJCTB-LBPRGKRZSA-N 1 0 375.332 2.519 20 0 GFADRO Cc1c(Br)cccc1CS(=O)(=O)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000655537851 566064840 /nfs/dbraw/zinc/06/48/40/566064840.db2.gz ZUWFWYWRVIYNNR-BDJLRTHQSA-N 1 0 387.343 2.660 20 0 GFADRO Cc1cc(Br)ccc1CN(C)C(=O)c1cnn(CC[NH+](C)C)c1 ZINC000632766319 566065745 /nfs/dbraw/zinc/06/57/45/566065745.db2.gz URIVRLLGGZBQLL-UHFFFAOYSA-N 1 0 379.302 2.788 20 0 GFADRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)CS(=O)(=O)Cc1ccc(Cl)s1 ZINC000680397577 566070189 /nfs/dbraw/zinc/07/01/89/566070189.db2.gz TUBLQRMASLLTTR-GFCCVEGCSA-N 1 0 392.974 2.505 20 0 GFADRO C[C@H](NC[C@H](O)C[NH+]1CCCC1)c1nc(-c2ccc(Br)cc2)no1 ZINC000680428333 566071081 /nfs/dbraw/zinc/07/10/81/566071081.db2.gz ZGIUGASYQLEQLK-WFASDCNBSA-N 1 0 395.301 2.606 20 0 GFADRO C[C@H](Oc1ccc(F)cc1Br)C(=O)N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000632860378 566071205 /nfs/dbraw/zinc/07/12/05/566071205.db2.gz GHDCFTWMPJFREX-SLEUVZQESA-N 1 0 385.277 2.956 20 0 GFADRO COc1cc(C(=O)N2CCC[C@@H]3C[NH2+]CC[C@@H]32)cc(OC)c1Br ZINC000632861170 566071369 /nfs/dbraw/zinc/07/13/69/566071369.db2.gz LKRITCKZPXSREZ-YPMHNXCESA-N 1 0 383.286 2.680 20 0 GFADRO CCOCCOc1ccc(Br)cc1NC(=O)N1C[C@@H]([NH3+])C[C@@H]1C ZINC000632931001 566075481 /nfs/dbraw/zinc/07/54/81/566075481.db2.gz RRORJNYKRNPGQY-AAEUAGOBSA-N 1 0 386.290 2.818 20 0 GFADRO C[C@@H]1C[C@H]([NH3+])CN1C(=O)Nc1cc(Br)cc(C(=O)N2CCCC2)c1 ZINC000632943080 566076126 /nfs/dbraw/zinc/07/61/26/566076126.db2.gz VGTIXCWFVGUQJG-RISCZKNCSA-N 1 0 395.301 2.639 20 0 GFADRO O=C(Nc1ccc(OC(F)(F)F)cc1Br)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000632943334 566076551 /nfs/dbraw/zinc/07/65/51/566076551.db2.gz FKTQSIVJNMXTPN-YUMQZZPRSA-N 1 0 380.164 2.926 20 0 GFADRO COC(=O)c1cc(NC(=O)N[C@H]2CCC[N@H+](C)C2)c(Br)cc1F ZINC000610328645 566077649 /nfs/dbraw/zinc/07/76/49/566077649.db2.gz NBPGFNRBYZUOMU-VIFPVBQESA-N 1 0 388.237 2.591 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N[C@H]2CC[C@H](C[NH3+])CC2)cc1Br ZINC000633035841 566080907 /nfs/dbraw/zinc/08/09/07/566080907.db2.gz HIKLBHHJPNSMSE-JOCQHMNTSA-N 1 0 382.302 2.638 20 0 GFADRO Cc1nn(-c2cccc(Br)c2)cc1C[NH2+]CCCn1cncn1 ZINC000655708382 566082397 /nfs/dbraw/zinc/08/23/97/566082397.db2.gz IMKPCFZTBABCDR-UHFFFAOYSA-N 1 0 375.274 2.715 20 0 GFADRO O[C@H](C[NH2+]C1CCN([C@H]2CCOC2)CC1)COc1cccc(Cl)c1Cl ZINC000655699934 566082911 /nfs/dbraw/zinc/08/29/11/566082911.db2.gz HZXBZAXGBSXXJD-LSDHHAIUSA-N 1 0 389.323 2.576 20 0 GFADRO CC1CC[NH+](CCCCNC(=O)Nc2cn(C)cc(Br)c2=O)CC1 ZINC000680847053 566085303 /nfs/dbraw/zinc/08/53/03/566085303.db2.gz IGYNKSYERKJWDH-UHFFFAOYSA-N 1 0 399.333 2.781 20 0 GFADRO OC[C@@H]([NH2+]C1CCN(C[C@@H]2CCCO2)CC1)c1ccc(Br)cc1 ZINC000655737160 566086070 /nfs/dbraw/zinc/08/60/70/566086070.db2.gz WGGACXAGOGIQAM-ZWKOTPCHSA-N 1 0 383.330 2.716 20 0 GFADRO OC[C@H](NC1CC[NH+](C[C@@H]2CCCO2)CC1)c1cccc(Br)c1 ZINC000655733697 566086175 /nfs/dbraw/zinc/08/61/75/566086175.db2.gz QAOUAHGJZIELGX-ROUUACIJSA-N 1 0 383.330 2.716 20 0 GFADRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)CCn1cc(Br)cn1 ZINC000680910287 566088270 /nfs/dbraw/zinc/08/82/70/566088270.db2.gz PUKSUNBVEKCALE-YOEHRIQHSA-N 1 0 391.313 2.672 20 0 GFADRO Cc1nn(-c2cccc(Br)c2)cc1C[NH2+]C[C@@]1(C)CCC(=O)N1 ZINC000655793655 566090563 /nfs/dbraw/zinc/09/05/63/566090563.db2.gz ZBWGTVNPMUAZRR-QGZVFWFLSA-N 1 0 377.286 2.702 20 0 GFADRO CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000655920892 566096254 /nfs/dbraw/zinc/09/62/54/566096254.db2.gz JURFYNSLNDJHND-AXTRIDKLSA-N 1 0 398.223 2.714 20 0 GFADRO CC[C@H]1C[N@H+](CC)CCN1C(=O)c1ccc2cncc(Br)c2n1 ZINC000633334809 566097220 /nfs/dbraw/zinc/09/72/20/566097220.db2.gz VBGYPLKDGSNLOH-ZDUSSCGKSA-N 1 0 377.286 2.949 20 0 GFADRO Cc1c(Br)cccc1CS(=O)(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000655949970 566097993 /nfs/dbraw/zinc/09/79/93/566097993.db2.gz GPSKNAMETVPKAN-WFASDCNBSA-N 1 0 375.332 2.694 20 0 GFADRO [NH3+]C[C@@H](NC(=O)C(=O)Nc1ccc(SC2CCCC2)cc1)C(F)(F)F ZINC000655958729 566099421 /nfs/dbraw/zinc/09/94/21/566099421.db2.gz OECPQBPITFAALM-CYBMUJFWSA-N 1 0 375.416 2.666 20 0 GFADRO COc1cc(C[NH+](C)C)ccc1NC(=O)c1c[nH]c(=O)c(Br)c1 ZINC000633374672 566099544 /nfs/dbraw/zinc/09/95/44/566099544.db2.gz VCKPTXZRFMGCMR-UHFFFAOYSA-N 1 0 380.242 2.872 20 0 GFADRO C[NH+](C)CCn1cc(C(=O)N2CCC[C@@H]2c2ccc(Br)cn2)cn1 ZINC000633390941 566100105 /nfs/dbraw/zinc/10/01/05/566100105.db2.gz AIZSVHSSXCIMHI-MRXNPFEDSA-N 1 0 392.301 2.580 20 0 GFADRO CC[C@@H]([NH2+]CCN(C)CCOC)c1ccc(I)cc1 ZINC000610809388 566101517 /nfs/dbraw/zinc/10/15/17/566101517.db2.gz SNCJAYUAZQFBPP-OAHLLOKOSA-N 1 0 376.282 2.910 20 0 GFADRO Brc1ccc2[nH]c(CN3CC[NH+](C[C@H]4CCCO4)CC3)nc2c1 ZINC000681400453 566104630 /nfs/dbraw/zinc/10/46/30/566104630.db2.gz ADYWJTGQCYXQCZ-CQSZACIVSA-N 1 0 379.302 2.622 20 0 GFADRO COc1c(C)ncnc1NCCCNC(=O)c1ccc(Br)cc1 ZINC000656117254 566104704 /nfs/dbraw/zinc/10/47/04/566104704.db2.gz IAKOEXFUNWABLA-UHFFFAOYSA-N 1 0 379.258 2.788 20 0 GFADRO CC[N@@H+]1CCN(C(=O)Nc2ccc(Br)cc2C(=O)OC)C[C@H]1C ZINC000611095784 566113036 /nfs/dbraw/zinc/11/30/36/566113036.db2.gz FAWDCAIEIRYHBO-LLVKDONJSA-N 1 0 384.274 2.794 20 0 GFADRO COCC1(O)CC[NH+](Cc2cn(-c3cccc(Br)c3)nc2C)CC1 ZINC000656253815 566117914 /nfs/dbraw/zinc/11/79/14/566117914.db2.gz XLIMKBXNJUMACD-UHFFFAOYSA-N 1 0 394.313 2.917 20 0 GFADRO Cc1nn(-c2cccc(Br)c2)cc1C[N@@H+]1CC[C@]2(CNC(=O)C2)C1 ZINC000656258196 566118542 /nfs/dbraw/zinc/11/85/42/566118542.db2.gz POGKTBQQCCQAFU-SFHVURJKSA-N 1 0 389.297 2.655 20 0 GFADRO CO[C@@H]1C[N@H+](Cc2cn(-c3ccccc3Br)nc2C)C[C@@H]1OC ZINC000656257468 566118838 /nfs/dbraw/zinc/11/88/38/566118838.db2.gz IRHRGBVZXAQQSR-CALCHBBNSA-N 1 0 380.286 2.789 20 0 GFADRO CNC(=O)[C@@]1(C)CC[N@H+](Cc2cn(-c3cccc(Br)c3)nc2C)C1 ZINC000656258695 566119164 /nfs/dbraw/zinc/11/91/64/566119164.db2.gz TVXDQXJQJXANSN-SFHVURJKSA-N 1 0 391.313 2.901 20 0 GFADRO Cc1nn(-c2cccc(Br)c2)cc1C[N@@H+](CCO)[C@@H]1CCO[C@@H]1C ZINC000656261427 566120880 /nfs/dbraw/zinc/12/08/80/566120880.db2.gz AQPLNIXDTYCCNE-RDTXWAMCSA-N 1 0 394.313 2.915 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)c1cn(-c2ccc(Br)cc2)cn1 ZINC000681789140 566125909 /nfs/dbraw/zinc/12/59/09/566125909.db2.gz KBPZWZCLYCREPR-GDBMZVCRSA-N 1 0 377.286 2.847 20 0 GFADRO CC[NH2+]Cc1ccn(Cc2cn(-c3ccc(Br)c(C)c3)nn2)n1 ZINC000656438209 566126877 /nfs/dbraw/zinc/12/68/77/566126877.db2.gz SNNXGYOAQBVIPS-UHFFFAOYSA-N 1 0 375.274 2.693 20 0 GFADRO CC1(C)CN(C(=O)CCCc2ccc(Br)s2)CC[N@@H+]1CCO ZINC000682010417 566138872 /nfs/dbraw/zinc/13/88/72/566138872.db2.gz LYIXACVPNDOVDE-UHFFFAOYSA-N 1 0 389.359 2.748 20 0 GFADRO Cc1c(Br)cncc1C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000611740221 566141844 /nfs/dbraw/zinc/14/18/44/566141844.db2.gz KVOMTVCBWTWEJI-UHFFFAOYSA-N 1 0 396.329 2.870 20 0 GFADRO COC[C@H]([NH2+]Cc1cn(-c2ccccc2Br)nn1)C1CCOCC1 ZINC000682133388 566144978 /nfs/dbraw/zinc/14/49/78/566144978.db2.gz JEHXUOJCUUJMOH-INIZCTEOSA-N 1 0 395.301 2.561 20 0 GFADRO CC[N@H+](C[C@H](O)COc1cc(F)cc(Br)c1)C[C@H]1CCOC1 ZINC000682218732 566148444 /nfs/dbraw/zinc/14/84/44/566148444.db2.gz POESKLXAGOLNDF-DOMZBBRYSA-N 1 0 376.266 2.686 20 0 GFADRO COC[C@H]([NH2+][C@@H](C)C(=O)Nc1cccc(Br)c1)C1CCOCC1 ZINC000656678752 566155003 /nfs/dbraw/zinc/15/50/03/566155003.db2.gz MXAUFLXHEPSFJJ-LRDDRELGSA-N 1 0 385.302 2.807 20 0 GFADRO O[C@@H](C[NH2+]Cc1cnc(C(F)(F)F)nc1)COCc1ccccc1Cl ZINC000656704967 566155686 /nfs/dbraw/zinc/15/56/86/566155686.db2.gz MHUWXWRXOQQRCB-ZDUSSCGKSA-N 1 0 375.778 2.816 20 0 GFADRO COCCC1C[NH+](C[C@@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000656703593 566156215 /nfs/dbraw/zinc/15/62/15/566156215.db2.gz UZZUSHAYGBAGLL-CYBMUJFWSA-N 1 0 378.694 2.811 20 0 GFADRO COc1cccc(OC)c1C[NH2+]C[C@H](O)COc1ccc(Br)cc1 ZINC000656703735 566156233 /nfs/dbraw/zinc/15/62/33/566156233.db2.gz CZSLBBARAANIEH-AWEZNQCLSA-N 1 0 396.281 2.996 20 0 GFADRO COCC[N@@H+]1CCC[C@@H](NC(=O)Cc2ccc(Br)c(Cl)c2)C1 ZINC000682496542 566158411 /nfs/dbraw/zinc/15/84/11/566158411.db2.gz XNBUPSHXJQLQGQ-CYBMUJFWSA-N 1 0 389.721 2.872 20 0 GFADRO COCCC[C@@H]([NH2+]CCC1CS(=O)(=O)C1)c1ccc(Br)cc1 ZINC000682501258 566159534 /nfs/dbraw/zinc/15/95/34/566159534.db2.gz PJYGDSCANJOPRL-MRXNPFEDSA-N 1 0 390.343 2.941 20 0 GFADRO O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)c1cc2cc(Br)sc2[nH]1 ZINC000612389028 566160094 /nfs/dbraw/zinc/16/00/94/566160094.db2.gz ZZDYOHIHEMEJKV-GFCCVEGCSA-N 1 0 398.326 2.975 20 0 GFADRO O[C@]1(CSc2nnc(N3CCCC3)s2)CC[N@H+](Cc2ccccc2)C1 ZINC000634644063 566163590 /nfs/dbraw/zinc/16/35/90/566163590.db2.gz NQGGKGZQMHRYDY-GOSISDBHSA-N 1 0 376.551 2.867 20 0 GFADRO CC(C)[C@H](C[NH2+][C@@H](C(N)=O)c1ccc(Br)cc1)c1ccnn1C ZINC000682613026 566165503 /nfs/dbraw/zinc/16/55/03/566165503.db2.gz GWZMMRMQFAEMNT-GOEBONIOSA-N 1 0 379.302 2.738 20 0 GFADRO CC(C)[C@@H](C[NH2+][C@@H](C(N)=O)c1ccc(Br)cc1)c1ccnn1C ZINC000682613024 566166187 /nfs/dbraw/zinc/16/61/87/566166187.db2.gz GWZMMRMQFAEMNT-GDBMZVCRSA-N 1 0 379.302 2.738 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CC[NH2+]C[C@H](O)C[C@@](C)(O)C1CC1 ZINC000634703051 566170720 /nfs/dbraw/zinc/17/07/20/566170720.db2.gz OSXSULLCHAHHEK-CRAIPNDOSA-N 1 0 399.329 2.588 20 0 GFADRO Cc1ncc2c(n1)CC[C@@H]([NH2+]C[C@@H](O)COc1cc(Cl)cc(Cl)c1)C2 ZINC000634698963 566170870 /nfs/dbraw/zinc/17/08/70/566170870.db2.gz BVMXPEGJYHXPBF-HZPDHXFCSA-N 1 0 382.291 2.979 20 0 GFADRO COCC1(C[NH2+]C[C@H](O)COc2cc(Cl)cc(Cl)c2)CCOCC1 ZINC000634714418 566172135 /nfs/dbraw/zinc/17/21/35/566172135.db2.gz LDRHTMQUQJMLJO-HNNXBMFYSA-N 1 0 378.296 2.766 20 0 GFADRO Cc1nc(CS(=O)(=O)N(C)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cs1 ZINC000682836831 566172641 /nfs/dbraw/zinc/17/26/41/566172641.db2.gz WWQUYYCTGWXJDH-GOSISDBHSA-N 1 0 379.551 2.878 20 0 GFADRO O[C@H](C[NH2+]C[C@@H](n1cncn1)C(F)(F)F)COc1cc(Cl)ccc1Cl ZINC000634725968 566172976 /nfs/dbraw/zinc/17/29/76/566172976.db2.gz IMNQMAXSOPSCQI-ZWNOBZJWSA-N 1 0 399.200 2.718 20 0 GFADRO O[C@@H](C[NH2+]C[C@@H](n1cncn1)C(F)(F)F)COc1ccc(Cl)cc1Cl ZINC000634725764 566173508 /nfs/dbraw/zinc/17/35/08/566173508.db2.gz CLYLONVLADRJLI-GXFFZTMASA-N 1 0 399.200 2.718 20 0 GFADRO CN([C@H]1CC[N@@H+](C2CC2)C1)S(=O)(=O)Cc1cc(F)ccc1Br ZINC000656900384 566178706 /nfs/dbraw/zinc/17/87/06/566178706.db2.gz BVXSLDHUXNBRSZ-AWEZNQCLSA-N 1 0 391.306 2.587 20 0 GFADRO O=S(=O)(N[C@H]1CC[N@H+](CC2CC2)C1)c1cccc(Cl)c1Br ZINC000683143172 566184542 /nfs/dbraw/zinc/18/45/42/566184542.db2.gz MKXCEFNUHVZKNL-NSHDSACASA-N 1 0 393.734 2.865 20 0 GFADRO Cc1ccc(CNC(=O)N[C@H](C)CC[NH+]2CCN(C)CC2)cc1Br ZINC000634919145 566184977 /nfs/dbraw/zinc/18/49/77/566184977.db2.gz HPBLDIQSEIUDAH-OAHLLOKOSA-N 1 0 397.361 2.583 20 0 GFADRO O=S1(=O)CCC[C@@H]([NH2+][C@H]2CCN(c3ccc(Br)cc3)C2)CC1 ZINC000634959455 566185856 /nfs/dbraw/zinc/18/58/56/566185856.db2.gz RNKMWRDJBYWTBB-CABCVRRESA-N 1 0 387.343 2.585 20 0 GFADRO O=S1(=O)CCC[C@@H]([NH2+][C@H](CO)c2ccc(Cl)cc2C(F)(F)F)CC1 ZINC000634980093 566187058 /nfs/dbraw/zinc/18/70/58/566187058.db2.gz WLQRRSRRQVVJGA-BXUZGUMPSA-N 1 0 385.835 2.949 20 0 GFADRO O=C1CC[C@H]([NH2+]C2CCN(Cc3cccc(Br)c3)CC2)CCN1 ZINC000634984378 566187896 /nfs/dbraw/zinc/18/78/96/566187896.db2.gz QJQBZPBAWFRWBU-INIZCTEOSA-N 1 0 380.330 2.672 20 0 GFADRO COc1cc(Br)c2nc(N3CC[NH+](CC4CC4)CC3)nc(N)c2c1 ZINC000683185501 566187995 /nfs/dbraw/zinc/18/79/95/566187995.db2.gz RVZLHUTXOJOOCX-UHFFFAOYSA-N 1 0 392.301 2.515 20 0 GFADRO CN(C)C[C@H]([NH2+][C@@H]1CCCS(=O)(=O)CC1)c1cccc(C(F)(F)F)c1 ZINC000634988463 566188388 /nfs/dbraw/zinc/18/83/88/566188388.db2.gz XVQJRJHWWDOFJD-CVEARBPZSA-N 1 0 378.460 2.865 20 0 GFADRO COc1cc(Cl)c(S(=O)(=O)NC[C@H]2CC[N@@H+](C(C)(C)C)C2)cc1OC ZINC000657033596 566208747 /nfs/dbraw/zinc/20/87/47/566208747.db2.gz NFABUVNZSARHQQ-GFCCVEGCSA-N 1 0 390.933 2.756 20 0 GFADRO Cc1cc(S(=O)(=O)NCC2CC[NH+](C3CCOCC3)CC2)sc1Cl ZINC000657039373 566212012 /nfs/dbraw/zinc/21/20/12/566212012.db2.gz AEHJESZDDABYBC-UHFFFAOYSA-N 1 0 392.974 2.879 20 0 GFADRO C[C@H](Cc1ccc(Br)cc1)C(=O)N1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000683912830 566218447 /nfs/dbraw/zinc/21/84/47/566218447.db2.gz NXPFNSIYOKHFSR-RDTXWAMCSA-N 1 0 383.330 2.543 20 0 GFADRO C[C@@H](CCNS(=O)(=O)c1cc(Cl)c(Br)cc1F)[NH+](C)C ZINC000657093397 566221749 /nfs/dbraw/zinc/22/17/49/566221749.db2.gz WMYRPYVIZWFDNA-QMMMGPOBSA-N 1 0 387.702 2.860 20 0 GFADRO CN(C(=O)C12CCC[NH+](CCC1)C2)[C@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000635725972 566224170 /nfs/dbraw/zinc/22/41/70/566224170.db2.gz PFOURUVYLZGKFI-HNNXBMFYSA-N 1 0 382.913 2.503 20 0 GFADRO Brc1cccc(N2CC[C@@H]([NH2+]C[C@H]3CNc4ccnn4C3)C2)c1 ZINC000684199438 566230071 /nfs/dbraw/zinc/23/00/71/566230071.db2.gz OBVANRNZBLIHLE-DZGCQCFKSA-N 1 0 376.302 2.556 20 0 GFADRO Brc1ccc(CN2CC[NH+](C[C@@H]3CNc4ccnn4C3)CC2)s1 ZINC000684193942 566230395 /nfs/dbraw/zinc/23/03/95/566230395.db2.gz CXWJSWWKHURIGF-ZDUSSCGKSA-N 1 0 396.358 2.567 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCOc2c(Br)cccc2C1 ZINC000684268647 566231497 /nfs/dbraw/zinc/23/14/97/566231497.db2.gz SPLSDUDPFIXRAM-CQSZACIVSA-N 1 0 382.302 2.837 20 0 GFADRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N1CCOc2c(Br)cccc2C1 ZINC000684274445 566231943 /nfs/dbraw/zinc/23/19/43/566231943.db2.gz VGLSNINKZBYHAA-WBMJQRKESA-N 1 0 394.313 2.836 20 0 GFADRO CN1CCN(C(=O)C[NH2+][C@@H]2CC(C)(C)c3ccc(Br)cc32)CC1 ZINC000684553059 566238145 /nfs/dbraw/zinc/23/81/45/566238145.db2.gz YOJCCVQACZNSPP-MRXNPFEDSA-N 1 0 380.330 2.535 20 0 GFADRO C[C@@](O)(CO)C[NH2+]Cc1ccc(OCc2ccccc2)c(Br)c1 ZINC000684536418 566238174 /nfs/dbraw/zinc/23/81/74/566238174.db2.gz DNSZLBOESINAAW-SFHVURJKSA-N 1 0 380.282 2.861 20 0 GFADRO CCn1ccnc1CN(C(=O)c1n[nH]c2ccccc21)[C@@H]1CC12CC[NH2+]CC2 ZINC000262094920 570615905 /nfs/dbraw/zinc/61/59/05/570615905.db2.gz HRXXTICNHSDPRP-QGZVFWFLSA-N 1 0 378.480 2.564 20 0 GFADRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(CCOc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000736266834 598870908 /nfs/dbraw/zinc/87/09/08/598870908.db2.gz KMSQACHZGSUNFG-ZWKOTPCHSA-N 1 0 384.528 2.832 20 0 GFADRO CC[NH+](CC)CCNC(=O)NCc1cccc(-c2ccc(-c3nn[nH]n3)s2)c1 ZINC000736531598 598906042 /nfs/dbraw/zinc/90/60/42/598906042.db2.gz ZZGUSMIRPLWGPJ-UHFFFAOYSA-N 1 0 399.524 2.736 20 0 GFADRO CC(C)[N@H+](C)CCNC(=O)c1cccc(COc2ccccc2-c2nn[nH]n2)c1 ZINC000735857528 598932206 /nfs/dbraw/zinc/93/22/06/598932206.db2.gz UGBLBVPYRISDFH-UHFFFAOYSA-N 1 0 394.479 2.516 20 0 GFADRO C[C@@H](CNc1c2ccccc2nnc1-c1nn[nH]n1)[N@@H+]1CCc2sccc2C1 ZINC000736025468 598957941 /nfs/dbraw/zinc/95/79/41/598957941.db2.gz HDZHPJBRVMCNJN-LBPRGKRZSA-N 1 0 392.492 2.730 20 0 GFADRO CC[N@H+](CCOc1ccc(-c2nn[nH]n2)cc1OC)Cc1ccc(OC)cc1 ZINC000736537900 598981871 /nfs/dbraw/zinc/98/18/71/598981871.db2.gz YJCFLMHLAXWJKH-UHFFFAOYSA-N 1 0 383.452 2.785 20 0 GFADRO COc1cc(-c2nn[nH]n2)ccc1OCC[NH+]1CCC(c2nccs2)CC1 ZINC000737030985 598984089 /nfs/dbraw/zinc/98/40/89/598984089.db2.gz CHDYFWWFWZZYCW-UHFFFAOYSA-N 1 0 386.481 2.590 20 0 GFADRO COc1cc(-c2nn[nH]n2)ccc1OCC[N@@H+]1CCC[C@H]1c1ccc(O)cc1 ZINC000737033293 598984831 /nfs/dbraw/zinc/98/48/31/598984831.db2.gz TXOAXKYFTMOFNI-KRWDZBQOSA-N 1 0 381.436 2.797 20 0 GFADRO CCO[C@H]1C[C@H]([N@H+](C)CCC(=O)Nc2ccccc2-c2nn[nH]n2)C12CCCC2 ZINC000736608752 598994609 /nfs/dbraw/zinc/99/46/09/598994609.db2.gz DDXCMFIKPPARBT-ROUUACIJSA-N 1 0 398.511 2.865 20 0 GFADRO C[C@@H](O)C[C@@H](C)C[NH2+]Cc1cccc(OCc2ccccc2-c2nn[nH]n2)c1 ZINC000736146149 599010637 /nfs/dbraw/zinc/01/06/37/599010637.db2.gz XOASMCFYHNHZOG-HZPDHXFCSA-N 1 0 381.480 2.942 20 0 GFADRO C[NH+](C)[C@H](CNc1nc(C(F)(F)F)ccc1-c1nn[nH]n1)Cc1ccccc1 ZINC000736758274 599039229 /nfs/dbraw/zinc/03/92/29/599039229.db2.gz FOYXKEGIAVRQMW-ZDUSSCGKSA-N 1 0 391.401 2.865 20 0 GFADRO FC(F)(F)c1ccc(-c2nn[nH]n2)c(N2CCCC[C@@H]([NH+]3CCCC3)C2)n1 ZINC000737634000 599057619 /nfs/dbraw/zinc/05/76/19/599057619.db2.gz XGEBXQLHBRUZPG-GFCCVEGCSA-N 1 0 381.406 2.735 20 0 GFADRO Cc1ccc(C[C@H]2CCC[N@@H+]([C@H](C(N)=O)c3ccc(-c4nn[nH]n4)cc3)C2)cc1 ZINC000737334567 599070690 /nfs/dbraw/zinc/07/06/90/599070690.db2.gz IYGBOHSVSVRUAX-XLIONFOSSA-N 1 0 390.491 2.656 20 0 GFADRO C[N@@H+]1CCC[C@@H](CNC(=O)Cc2ccc(-c3nn[nH]n3)cc2)[C@@H]1c1cccs1 ZINC000736858183 599085108 /nfs/dbraw/zinc/08/51/08/599085108.db2.gz QWGCCFIWLBZQBN-QFBILLFUSA-N 1 0 396.520 2.670 20 0 GFADRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ncc(-c2nn[nH]n2)cc1Cl ZINC000821598061 599107555 /nfs/dbraw/zinc/10/75/55/599107555.db2.gz PQKIORZORHEJNB-OAHLLOKOSA-N 1 0 383.887 2.873 20 0 GFADRO C[C@H](c1ccc(-c2nn[nH]n2)cc1)[NH+]1CCC(C(=O)Nc2ccc(O)cc2)CC1 ZINC000736194600 599132139 /nfs/dbraw/zinc/13/21/39/599132139.db2.gz BMZOZMPPLJCMLD-CQSZACIVSA-N 1 0 392.463 2.984 20 0 GFADRO O=C(C[N@H+](Cc1ccoc1)C1CCCCC1)NCc1cccc(-c2nn[nH]n2)c1 ZINC000737862804 599139984 /nfs/dbraw/zinc/13/99/84/599139984.db2.gz BXRRPQDRTLODBP-UHFFFAOYSA-N 1 0 394.479 2.911 20 0 GFADRO c1nc2ccc(-c3nn[nH]n3)cn2c1C[NH2+]Cc1ccc(-c2cccnc2)cc1 ZINC000823816010 599159606 /nfs/dbraw/zinc/15/96/06/599159606.db2.gz NUNUOMJPSQNNTE-UHFFFAOYSA-N 1 0 382.431 2.866 20 0 GFADRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)c2sccc2-c2nn[nH]n2)CC1 ZINC000736205453 599162018 /nfs/dbraw/zinc/16/20/18/599162018.db2.gz WHXFFYKWVIJZKQ-ZDUSSCGKSA-N 1 0 382.493 2.884 20 0 GFADRO Clc1ccc(C2([NH2+]C[C@@H]3CNc4c(-c5nn[nH]n5)cnn4C3)CCCC2)cc1 ZINC000737570925 599176898 /nfs/dbraw/zinc/17/68/98/599176898.db2.gz LWEZOZMJFCULMN-ZDUSSCGKSA-N 1 0 398.902 2.817 20 0 GFADRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)C=Cc2ccccc2-c2nn[nH]n2)C1 ZINC000821614829 599193208 /nfs/dbraw/zinc/19/32/08/599193208.db2.gz WKHRAWVMNUAQSE-TZZQJPOUSA-N 1 0 388.475 2.613 20 0 GFADRO COc1ccccc1[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)N1CCCC1 ZINC000737141672 599210960 /nfs/dbraw/zinc/21/09/60/599210960.db2.gz JCWGLUOSPNVMIE-LJQANCHMSA-N 1 0 378.480 2.802 20 0 GFADRO FC(F)Oc1ccccc1N1CC[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC000737639066 599213727 /nfs/dbraw/zinc/21/37/27/599213727.db2.gz MGBSVHAZNXHJEU-OAHLLOKOSA-N 1 0 386.406 2.837 20 0 GFADRO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=S)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000736295826 599221597 /nfs/dbraw/zinc/22/15/97/599221597.db2.gz YTHAYMKPKGVWPR-DGCLKSJQSA-N 1 0 391.932 2.776 20 0 GFADRO C[N@H+](CCC(=O)Nc1sc2c(c1-c1nn[nH]n1)CCCC2)Cc1cccnc1 ZINC000736793207 599249150 /nfs/dbraw/zinc/24/91/50/599249150.db2.gz UCHORBGFRDKSIH-UHFFFAOYSA-N 1 0 397.508 2.663 20 0 GFADRO C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)Nc2ccncc2-c2nn[nH]n2)c1 ZINC000736828806 599250910 /nfs/dbraw/zinc/25/09/10/599250910.db2.gz SOCKBIXAMAPPLT-UHFFFAOYSA-N 1 0 399.458 2.568 20 0 GFADRO CC[NH+](CC)[C@@H](CNC(=O)Nc1cccc(-c2nn[nH]n2)c1C)c1ccco1 ZINC000821181623 607282665 /nfs/dbraw/zinc/28/26/65/607282665.db2.gz NNIGIPOEQCBUNM-INIZCTEOSA-N 1 0 383.456 2.973 20 0 GFADRO Cc1cc(F)cc(NC(=O)N(CC[NH+](C)C)Cc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000822203055 607319252 /nfs/dbraw/zinc/31/92/52/607319252.db2.gz BQBBTPXUZLYCAW-UHFFFAOYSA-N 1 0 397.458 2.910 20 0 GFADRO CC(C)c1nc(CN(C)[C@H]2CC[N@@H+]([C@H](C)c3ccc(-c4nn[nH]n4)cc3)C2)no1 ZINC000735940519 599288146 /nfs/dbraw/zinc/28/81/46/599288146.db2.gz PSOIFLKPUIYTNW-PBHICJAKSA-N 1 0 396.499 2.640 20 0 GFADRO CC(C)c1cnc(CN(C)[C@@H]2CC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C2)o1 ZINC000735931668 599291564 /nfs/dbraw/zinc/29/15/64/599291564.db2.gz BIGHJYBTDQJJOR-QGZVFWFLSA-N 1 0 381.484 2.684 20 0 GFADRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)Nc1ccc(-c2nn[nH]n2)c(C(F)(F)F)c1 ZINC000821623708 599291814 /nfs/dbraw/zinc/29/18/14/599291814.db2.gz QUURLZCDEIWVNW-LLVKDONJSA-N 1 0 397.405 2.691 20 0 GFADRO c1cc(OC2CC[NH+](Cc3ccc4c(c3)OCCO4)CC2)cc(-c2nn[nH]n2)c1 ZINC000738419534 598251836 /nfs/dbraw/zinc/25/18/36/598251836.db2.gz OXGFCFLDEZXADJ-UHFFFAOYSA-N 1 0 393.447 2.681 20 0 GFADRO C[N@@H+]1CCC[C@@H]1CNC(=O)Nc1ccc(Oc2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000736859084 598264882 /nfs/dbraw/zinc/26/48/82/598264882.db2.gz DKVJCUZQYUXDGH-MRXNPFEDSA-N 1 0 393.451 2.875 20 0 GFADRO COc1ccc(CC[NH2+]Cc2cccc(-c3nn[nH]n3)c2)cc1OC(F)F ZINC000737090943 598275253 /nfs/dbraw/zinc/27/52/53/598275253.db2.gz XDTXSPIGARJDBP-UHFFFAOYSA-N 1 0 375.379 2.809 20 0 GFADRO CC(C)(Cc1ccccc1Cl)[NH2+]Cc1cnc2c(-c3nn[nH]n3)cnn2c1 ZINC000735671556 598286577 /nfs/dbraw/zinc/28/65/77/598286577.db2.gz ZJEPKTMWIFCSJM-UHFFFAOYSA-N 1 0 382.859 2.674 20 0 GFADRO Clc1cccc([C@H](C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)N2CCOCC2)c1 ZINC000737576464 598288093 /nfs/dbraw/zinc/28/80/93/598288093.db2.gz XONPGRGAOLVLFZ-IBGZPJMESA-N 1 0 398.898 2.683 20 0 GFADRO c1ccc(-c2noc(C3CC[NH+](Cc4cccc(-c5nn[nH]n5)c4)CC3)n2)nc1 ZINC000738426539 598361970 /nfs/dbraw/zinc/36/19/70/598361970.db2.gz RYYIAHKBWCANCZ-UHFFFAOYSA-N 1 0 388.435 2.691 20 0 GFADRO Cc1ccc2oc(N3CC[NH+](Cc4ccc(-c5nn[nH]n5)cc4)CC3)nc2c1 ZINC000737379247 598364348 /nfs/dbraw/zinc/36/43/48/598364348.db2.gz GLGBOFZHYITPSN-UHFFFAOYSA-N 1 0 375.436 2.639 20 0 GFADRO c1ncn(C[C@@H]2CCC[N@@H+]2Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)n1 ZINC000738421723 598368702 /nfs/dbraw/zinc/36/87/02/598368702.db2.gz FEEXELAWMPMJED-SFHVURJKSA-N 1 0 386.463 2.790 20 0 GFADRO CCC[N@H+](C)CC(=O)Nc1ccc(Oc2ncccc2-c2nn[nH]n2)cc1C ZINC000736469638 598381490 /nfs/dbraw/zinc/38/14/90/598381490.db2.gz BDQSSEHSZKXJJJ-UHFFFAOYSA-N 1 0 381.440 2.643 20 0 GFADRO C[NH+](C)[C@H]1CCN(C(=O)c2ccc(Oc3cccc(F)c3-c3nn[nH]n3)cc2)C1 ZINC000736756458 598401852 /nfs/dbraw/zinc/40/18/52/598401852.db2.gz ITNHAHNCJRNFHI-AWEZNQCLSA-N 1 0 396.426 2.574 20 0 GFADRO CN(C(=O)c1ccc(-c2nn[nH]n2)s1)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000821573573 607354432 /nfs/dbraw/zinc/35/44/32/607354432.db2.gz WCLLGDYZRZLFQF-UHFFFAOYSA-N 1 0 398.492 2.679 20 0 GFADRO O=C(C[N@@H+]1CCCC[C@@H]1Cc1ccccc1)NCc1cccc(-c2nn[nH]n2)c1 ZINC000737876035 598422398 /nfs/dbraw/zinc/42/23/98/598422398.db2.gz GUEDLFLOYYNAQC-HXUWFJFHSA-N 1 0 390.491 2.580 20 0 GFADRO CC(C)N(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)N[C@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000736266900 598429834 /nfs/dbraw/zinc/42/98/34/598429834.db2.gz PZJBSKGSSRICKE-IAGOWNOFSA-N 1 0 399.543 2.907 20 0 GFADRO C[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(-c2nn[nH]n2)cc1)c1ccccc1 ZINC000737194938 598433330 /nfs/dbraw/zinc/43/33/30/598433330.db2.gz WQPAXUYOFZSSDZ-INIZCTEOSA-N 1 0 393.495 2.701 20 0 GFADRO COc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2cccc(-c3nn[nH]n3)c2)cc1F ZINC000737074074 598453461 /nfs/dbraw/zinc/45/34/61/598453461.db2.gz VEOMUAKHBSKWQS-RYUDHWBXSA-N 1 0 384.415 2.692 20 0 GFADRO COc1c(C)cnc(C[N@@H+]2CCCN(c3ccccc3-c3nn[nH]n3)CC2)c1C ZINC000737024358 598475199 /nfs/dbraw/zinc/47/51/99/598475199.db2.gz HCWHRXZJJUVDSQ-UHFFFAOYSA-N 1 0 393.495 2.599 20 0 GFADRO C[NH+](C)CCNC(=S)Nc1ccc(Oc2cccc(-c3nn[nH]n3)c2)cc1 ZINC000736769848 598551590 /nfs/dbraw/zinc/55/15/90/598551590.db2.gz UHGOKIWVEYLIQY-UHFFFAOYSA-N 1 0 383.481 2.507 20 0 GFADRO O=C(CC[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)C1CC1)NCC1CCCCC1 ZINC000737839532 598558991 /nfs/dbraw/zinc/55/89/91/598558991.db2.gz UTZIEQFNIFIODM-UHFFFAOYSA-N 1 0 382.512 2.918 20 0 GFADRO C[C@@H]1CCC[N@H+](CCCCNC(=O)Nc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC000736264041 598630888 /nfs/dbraw/zinc/63/08/88/598630888.db2.gz BEYVZSBFUNTQMQ-CYBMUJFWSA-N 1 0 375.452 2.639 20 0 GFADRO CN(CC[NH+]1CCCC1)C(=O)c1ccccc1-c1ccccc1-c1nn[nH]n1 ZINC000736798954 598669740 /nfs/dbraw/zinc/66/97/40/598669740.db2.gz LESYFKKGGQGCPU-UHFFFAOYSA-N 1 0 376.464 2.702 20 0 GFADRO O=C(NC1CC[NH+](Cc2ccc(F)cc2-c2nn[nH]n2)CC1)C1CCCCC1 ZINC000738026552 598683052 /nfs/dbraw/zinc/68/30/52/598683052.db2.gz UDTBNSJSRTUUMY-UHFFFAOYSA-N 1 0 386.475 2.667 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)c1cccc(Oc2ccc(-c3nn[nH]n3)cc2)c1)C1CC1 ZINC000736762977 598699088 /nfs/dbraw/zinc/69/90/88/598699088.db2.gz YYXYNEWXCIPKJR-LJQANCHMSA-N 1 0 392.463 2.729 20 0 GFADRO CCC(CC)(CNC(=O)c1ccc(-c2nn[nH]n2)cn1)[NH2+][C@@H](C)c1ccccc1 ZINC000736335031 598721402 /nfs/dbraw/zinc/72/14/02/598721402.db2.gz OKAKGERAQGHEMQ-HNNXBMFYSA-N 1 0 393.495 2.901 20 0 GFADRO CC(C)[N@@H+]1CC[C@H](CNc2c(-c3nn[nH]n3)cnc3c(F)ccc(Cl)c32)C1 ZINC000735876125 598745345 /nfs/dbraw/zinc/74/53/45/598745345.db2.gz VGAKONVUTZTGRE-LLVKDONJSA-N 1 0 389.866 2.772 20 0 GFADRO CC[NH+]1CCC(CNc2c(-c3nn[nH]n3)cnc3c(F)ccc(Cl)c32)CC1 ZINC000736564790 598746177 /nfs/dbraw/zinc/74/61/77/598746177.db2.gz DYXQXVKJOIQSEL-UHFFFAOYSA-N 1 0 389.866 2.773 20 0 GFADRO Cc1ccccc1CCC(=O)N(CC[NH+](C)C)Cc1cccc(-c2nn[nH]n2)c1 ZINC000737425831 598750273 /nfs/dbraw/zinc/75/02/73/598750273.db2.gz DSAFQPNYCGKGBU-UHFFFAOYSA-N 1 0 392.507 2.698 20 0 GFADRO C[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)C[C@H](O)c1ccc(Br)cc1 ZINC000736818108 598759456 /nfs/dbraw/zinc/75/94/56/598759456.db2.gz NMYFNROGZSOGPV-INIZCTEOSA-N 1 0 388.269 2.795 20 0 GFADRO CC(C)([NH2+]CC(=O)NCc1ccc(-c2nn[nH]n2)cc1)c1ccc(Cl)cc1 ZINC000735677623 598762787 /nfs/dbraw/zinc/76/27/87/598762787.db2.gz GBVYSHLUMHARET-UHFFFAOYSA-N 1 0 384.871 2.661 20 0 GFADRO CC(C)[C@@H](c1ccccc1)[N@H+](C)CC(=O)NCc1cccc(-c2nn[nH]n2)c1 ZINC000735734648 598796230 /nfs/dbraw/zinc/79/62/30/598796230.db2.gz ITLBTXRNADQGSG-FQEVSTJZSA-N 1 0 378.480 2.812 20 0 GFADRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(CCC(=O)Nc2ccccc2-c2nn[nH]n2)C1 ZINC000736238427 598810045 /nfs/dbraw/zinc/81/00/45/598810045.db2.gz VETDHJFTAPPYEK-BBWFWOEESA-N 1 0 397.527 2.533 20 0 GFADRO COc1ccccc1C[N@H+](CCC(=O)Nc1cccc(-c2nn[nH]n2)c1)C1CC1 ZINC000821898811 599303878 /nfs/dbraw/zinc/30/38/78/599303878.db2.gz SBEQAXSQMGQEJV-UHFFFAOYSA-N 1 0 392.463 2.869 20 0 GFADRO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)C(=O)Nc2cccc(-c3nn[nH]n3)c2)C12CCCC2 ZINC000821360344 599386618 /nfs/dbraw/zinc/38/66/18/599386618.db2.gz QUHXSEHEPGWCIL-RRQGHBQHSA-N 1 0 384.484 2.521 20 0 GFADRO C[C@@H]([NH2+][C@H]1CCCN(c2cccc(F)c2)C1=O)c1cccc(-c2nn[nH]n2)c1 ZINC000820410311 599389442 /nfs/dbraw/zinc/38/94/42/599389442.db2.gz DEFNARRDDJZSBL-ACJLOTCBSA-N 1 0 380.427 2.852 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCCN(c2cccc(F)c2)C1=O)c1cccc(-c2nn[nH]n2)c1 ZINC000820410313 599389588 /nfs/dbraw/zinc/38/95/88/599389588.db2.gz DEFNARRDDJZSBL-SCLBCKFNSA-N 1 0 380.427 2.852 20 0 GFADRO C[C@@H]([NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1)C(=O)N(C)Cc1cccc(F)c1 ZINC000820414515 599390111 /nfs/dbraw/zinc/39/01/11/599390111.db2.gz YTMXBQHLRQVFPH-UONOGXRCSA-N 1 0 382.443 2.704 20 0 GFADRO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2cccc(-c3nn[nH]n3)c2)cc1OC ZINC000821831488 599391693 /nfs/dbraw/zinc/39/16/93/599391693.db2.gz AXYIMVDICLVLFK-CHWSQXEVSA-N 1 0 396.451 2.562 20 0 GFADRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2cccc(-c3nn[nH]n3)c2)c(OC)c1 ZINC000821831586 599391700 /nfs/dbraw/zinc/39/17/00/599391700.db2.gz DZGXUFOKTWMGIB-OLZOCXBDSA-N 1 0 396.451 2.562 20 0 GFADRO CCOc1cc2c(cc1C[NH2+]Cc1ccc(OC)c(-c3nn[nH]n3)c1)O[C@H](C)C2 ZINC000821400746 599395658 /nfs/dbraw/zinc/39/56/58/599395658.db2.gz NHKOEUPJJFODCJ-CYBMUJFWSA-N 1 0 395.463 2.887 20 0 GFADRO COc1ccc(C[NH2+][C@@H]2CCN([C@@H](C)c3ccccc3)C2)cc1-c1nn[nH]n1 ZINC000821804916 599428756 /nfs/dbraw/zinc/42/87/56/599428756.db2.gz QXMCBIKDUPFDBR-MAUKXSAKSA-N 1 0 378.480 2.800 20 0 GFADRO COc1ccc(C[NH2+][C@H]2CCCN(c3cccc(F)c3)C2)cc1-c1nn[nH]n1 ZINC000821804625 599442136 /nfs/dbraw/zinc/44/21/36/599442136.db2.gz ORGLSOCHOCADAF-INIZCTEOSA-N 1 0 382.443 2.773 20 0 GFADRO COc1ccc(-c2n[nH]cc2C[NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)cc1 ZINC000821731726 599458269 /nfs/dbraw/zinc/45/82/69/599458269.db2.gz GACDCKNBLQNNCP-UHFFFAOYSA-N 1 0 379.399 2.694 20 0 GFADRO C[C@@H](NC(=O)N1CC[NH+](C2CCC(C)CC2)CC1)c1cccc(-c2nn[nH]n2)c1 ZINC000820691773 599481611 /nfs/dbraw/zinc/48/16/11/599481611.db2.gz ZFYUAVRULUXNEX-KOHRHEQBSA-N 1 0 397.527 2.834 20 0 GFADRO Cc1cc(F)cc2c1ncc(-c1nn[nH]n1)c2NC1CC[NH+](CC2CC2)CC1 ZINC000822204158 599486309 /nfs/dbraw/zinc/48/63/09/599486309.db2.gz GEZJJOHDMQULPU-UHFFFAOYSA-N 1 0 381.459 2.571 20 0 GFADRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNCc2cnc3ccc(-c4nn[nH]n4)cn23)C1 ZINC000736402547 599490549 /nfs/dbraw/zinc/49/05/49/599490549.db2.gz NQCUHZALRWHPQB-OAHLLOKOSA-N 1 0 382.516 2.505 20 0 GFADRO c1cc2c(s1)CC[N@@H+](CCNc1cc(-c3nn[nH]n3)nc3ccccc31)C2 ZINC000823798801 599491294 /nfs/dbraw/zinc/49/12/94/599491294.db2.gz YPFAAPATSPQCFJ-UHFFFAOYSA-N 1 0 377.477 2.947 20 0 GFADRO C[C@@H](NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1cccc(-c2nn[nH]n2)c1 ZINC000820321794 599506251 /nfs/dbraw/zinc/50/62/51/599506251.db2.gz MOIMZHMRPNFCTQ-OXQOHEQNSA-N 1 0 390.491 2.956 20 0 GFADRO COc1cccc([C@@H](C)[NH+]2CCN(c3ccc(F)cc3-c3nn[nH]n3)CC2)c1 ZINC000821857922 599526533 /nfs/dbraw/zinc/52/65/33/599526533.db2.gz BIJJXJDILGROIB-CQSZACIVSA-N 1 0 382.443 2.898 20 0 GFADRO C[C@H]1CN(c2cc(Cl)ccc2-c2nn[nH]n2)CC[N@@H+]1C[C@@H](O)c1ccccc1 ZINC000820769788 599530908 /nfs/dbraw/zinc/53/09/08/599530908.db2.gz WQLMMTQUUMHJMY-IFXJQAMLSA-N 1 0 398.898 2.764 20 0 GFADRO C[C@H]1C[C@@H](N(C)C(=O)c2cccc(-c3nn[nH]n3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000736226588 599554968 /nfs/dbraw/zinc/55/49/68/599554968.db2.gz HUIIDPJVFUHNGJ-JXFKEZNVSA-N 1 0 390.491 2.992 20 0 GFADRO Cc1ccc(C(C)(C)C[N@H+](C)C[C@H](O)COc2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000822227428 599583539 /nfs/dbraw/zinc/58/35/39/599583539.db2.gz IJCWHLTXLMHMCY-IBGZPJMESA-N 1 0 395.507 2.824 20 0 GFADRO Cc1ccc(C(C)(C)C[N@H+](C)CC(=O)NCc2cccc(-c3nn[nH]n3)c2)cc1 ZINC000822227493 599584182 /nfs/dbraw/zinc/58/41/82/599584182.db2.gz LCWODMHFZYQEFH-UHFFFAOYSA-N 1 0 392.507 2.701 20 0 GFADRO Cc1cc(C[NH2+]Cc2cccc(OCc3cccc(-c4nn[nH]n4)c3)c2)[nH]n1 ZINC000737265203 599599012 /nfs/dbraw/zinc/59/90/12/599599012.db2.gz UOPJLYZXMPKYRL-UHFFFAOYSA-N 1 0 375.436 2.767 20 0 GFADRO O=C(CC[N@H+](CCc1ccccc1)C1CC1)Nc1cccc(-c2nn[nH]n2)c1 ZINC000822963926 599637092 /nfs/dbraw/zinc/63/70/92/599637092.db2.gz AYAQVHVOYXZVTL-UHFFFAOYSA-N 1 0 376.464 2.902 20 0 GFADRO CC[C@@](C)([NH2+]CCC(=O)Nc1sccc1-c1nn[nH]n1)c1nccs1 ZINC000820854321 599639179 /nfs/dbraw/zinc/63/91/79/599639179.db2.gz UFMSBVGNSTYPIP-OAHLLOKOSA-N 1 0 377.499 2.628 20 0 GFADRO C[C@@H]1C[NH+](CCC(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)C[C@@H](C)S1 ZINC000820753290 599642361 /nfs/dbraw/zinc/64/23/61/599642361.db2.gz XTDCXBNVCHCBOM-GHMZBOCLSA-N 1 0 380.905 2.675 20 0 GFADRO O=C1[C@@H]([NH+]2CCC(C3CCCC3)CC2)CCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000823504470 599643376 /nfs/dbraw/zinc/64/33/76/599643376.db2.gz QNWSTWFXCQFMKU-IBGZPJMESA-N 1 0 380.496 2.874 20 0 GFADRO C[C@@H]1CCN(CC[NH2+]Cc2cccc(OCc3cccc(-c4nn[nH]n4)c3)c2)C1 ZINC000820721725 599646970 /nfs/dbraw/zinc/64/69/70/599646970.db2.gz ACKFEZLKFZUVDJ-QGZVFWFLSA-N 1 0 392.507 2.877 20 0 GFADRO CC[C@@H]1Oc2cc([C@H](C)[NH2+]Cc3cccc(-c4nn[nH]n4)c3)ccc2NC1=O ZINC000821000387 599647257 /nfs/dbraw/zinc/64/72/57/599647257.db2.gz DMWCKSWREBNLAZ-SJCJKPOMSA-N 1 0 378.436 2.827 20 0 GFADRO CO[C@]1(C)C[C@H]([NH2+][C@H](C)C(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)C1(C)C ZINC000821679188 599664700 /nfs/dbraw/zinc/66/47/00/599664700.db2.gz YGNKQLFJYZLDTG-FWVNDXEPSA-N 1 0 392.891 2.640 20 0 GFADRO C[C@H](NC(=O)N[C@@H](C[NH+](C)C)c1ccccc1)c1cccc(-c2nn[nH]n2)c1 ZINC000820349819 599666467 /nfs/dbraw/zinc/66/64/67/599666467.db2.gz IWWNXDNPZJAFRO-KSSFIOAISA-N 1 0 379.468 2.530 20 0 GFADRO CC[NH+](CC)[C@@H](CNC(=O)N[C@@H](C)c1cccc(-c2nn[nH]n2)c1)CC(C)C ZINC000821180725 599666985 /nfs/dbraw/zinc/66/69/85/599666985.db2.gz GHBPSFWHRVVXBY-MAUKXSAKSA-N 1 0 387.532 2.983 20 0 GFADRO CC[NH+](CC)[C@@H](CNC(=O)NCc1cc(-c2nn[nH]n2)ccc1F)CC(C)C ZINC000821180827 599667141 /nfs/dbraw/zinc/66/71/41/599667141.db2.gz HOIPJFBJUMUSAX-MRXNPFEDSA-N 1 0 391.495 2.562 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)NC1(c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000824939887 607449596 /nfs/dbraw/zinc/44/95/96/607449596.db2.gz XOKBTURGOIEEIO-MRXNPFEDSA-N 1 0 397.527 2.810 20 0 GFADRO C[NH+](C)CC[C@@H](NC(=O)NC1(c2cccc(-c3nn[nH]n3)c2)CC1)C(C)(C)C ZINC000825859170 607457377 /nfs/dbraw/zinc/45/73/77/607457377.db2.gz DFANNXFTQKNLLZ-MRXNPFEDSA-N 1 0 385.516 2.521 20 0 GFADRO CC(C)(C)OC(=O)N1CC[C@@H](CC[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC000819933006 607480021 /nfs/dbraw/zinc/48/00/21/607480021.db2.gz BOMLZVMTPBCFTO-CYBMUJFWSA-N 1 0 390.463 2.743 20 0 GFADRO Cc1nc(CN2CCC(C[NH2+]Cc3ccc(-c4nn[nH]n4)cc3F)CC2)oc1C ZINC000822439585 607480528 /nfs/dbraw/zinc/48/05/28/607480528.db2.gz CEIHUQCKRAMQCM-UHFFFAOYSA-N 1 0 399.474 2.612 20 0 GFADRO c1cc(-c2nn[nH]n2)ccc1OCCC[N@@H+]1CC[C@@H]2[C@H](CCCN2C2CC2)C1 ZINC000826514048 607478705 /nfs/dbraw/zinc/47/87/05/607478705.db2.gz FQKYQMYPQOQKDG-YLJYHZDGSA-N 1 0 382.512 2.584 20 0 GFADRO O=C([O-])CC1([NH2+]CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CCCCC1 ZINC000833204686 601877919 /nfs/dbraw/zinc/87/79/19/601877919.db2.gz FOLJSFIFIDZNHC-UHFFFAOYSA-N 1 0 387.524 2.666 20 0 GFADRO CN1CCC(CNC(=O)Nc2ccc(NC(=O)[O-])cc2)([NH+]2CCCCC2)CC1 ZINC000828460024 603311738 /nfs/dbraw/zinc/31/17/38/603311738.db2.gz PCJDQJBOHNMNID-UHFFFAOYSA-N 1 0 389.500 2.848 20 0 GFADRO CC[NH+](CC)[C@H](CNC(=O)c1ccc(-c2nn[nH]n2)cc1C)c1ccccc1 ZINC000825407121 607654652 /nfs/dbraw/zinc/65/46/52/607654652.db2.gz ZHYMEORUCDMIPI-LJQANCHMSA-N 1 0 378.480 2.988 20 0 GFADRO CC[NH+](CC)[C@@H](CNC(=O)c1ccc(-c2nn[nH]n2)cc1C)Cc1ccccc1 ZINC000825406050 607661049 /nfs/dbraw/zinc/66/10/49/607661049.db2.gz HLACZUWEZOOXJE-LJQANCHMSA-N 1 0 392.507 2.858 20 0 GFADRO Cc1cc(-c2nn[nH]n2)ccc1C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000826249074 607662111 /nfs/dbraw/zinc/66/21/11/607662111.db2.gz KRBAGCRTHYUYRP-UHFFFAOYSA-N 1 0 376.464 2.701 20 0 GFADRO Cc1cc(-c2nn[nH]n2)ccc1C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000826248541 607677376 /nfs/dbraw/zinc/67/73/76/607677376.db2.gz NAPSTVMCUCCHMZ-OAHLLOKOSA-N 1 0 396.520 2.879 20 0 GFADRO Cc1cc(-c2nn[nH]n2)ccc1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000826248147 607702225 /nfs/dbraw/zinc/70/22/25/607702225.db2.gz YIEOSVGCZDWARE-APWZRJJASA-N 1 0 390.491 2.958 20 0 GFADRO COc1cc2c(c(C[NH2+]C3(c4cccc(-c5nn[nH]n5)c4)CC3)c1)O[C@@H](C)C2 ZINC000826179259 607704198 /nfs/dbraw/zinc/70/41/98/607704198.db2.gz HBGHKKGCXZQROT-ZDUSSCGKSA-N 1 0 377.448 2.978 20 0 GFADRO CN1CC[C@H]([NH2+]C2CC[NH+](CCCC(=O)[O-])CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000833698511 605228250 /nfs/dbraw/zinc/22/82/50/605228250.db2.gz PVIFNGGFQMOZFQ-ICSRJNTNSA-N 1 0 381.467 2.629 20 0 GFADRO CCCC[N@H+](CC)Cc1cccc(CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)c1 ZINC000825282497 607749554 /nfs/dbraw/zinc/74/95/54/607749554.db2.gz VCEOIEBRGRBOJT-UHFFFAOYSA-N 1 0 381.484 2.747 20 0 GFADRO C[C@H]1C[C@H](CNC(=O)OC(C)(C)C)C[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1F ZINC000824884756 607750318 /nfs/dbraw/zinc/75/03/18/607750318.db2.gz PBEAQFXUHGJDSB-QWHCGFSZSA-N 1 0 390.463 2.741 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)Nc1ccc(-c2nn[nH]n2)cc1)c1ccc(Cl)cc1 ZINC000821579535 606114848 /nfs/dbraw/zinc/11/48/48/606114848.db2.gz FLNRKKQSGZNODS-MRXNPFEDSA-N 1 0 385.859 2.945 20 0 GFADRO C[NH+](C)C[C@H]1CCCN1C(=O)c1cccc(Oc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000821583421 606127942 /nfs/dbraw/zinc/12/79/42/606127942.db2.gz UWUHKKNWGNJGAK-QGZVFWFLSA-N 1 0 392.463 2.825 20 0 GFADRO O[C@@H](C[NH2+]Cc1cccc(OCc2ccccc2-c2nn[nH]n2)c1)c1ccco1 ZINC000823690717 606133472 /nfs/dbraw/zinc/13/34/72/606133472.db2.gz SEJZWYHTHQMENB-IBGZPJMESA-N 1 0 391.431 2.862 20 0 GFADRO c1ccc(C[N@@H+]2CCC[C@@]3(CCN(c4ccc(-c5nn[nH]n5)cn4)C3)C2)cc1 ZINC000823780080 606142013 /nfs/dbraw/zinc/14/20/13/606142013.db2.gz NNNAUKHUVLMWSX-OAQYLSRUSA-N 1 0 375.480 2.754 20 0 GFADRO CC(C)CC[NH+]1CCC(CNC(=O)N[C@@H](C)c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000820076093 606197871 /nfs/dbraw/zinc/19/78/71/606197871.db2.gz AFZYJXSWYJJFIQ-INIZCTEOSA-N 1 0 399.543 2.985 20 0 GFADRO COc1cccc([C@@H](C[NH2+]Cc2cc(-c3nn[nH]n3)cs2)N2CCCC2)c1 ZINC000821859254 606207393 /nfs/dbraw/zinc/20/73/93/606207393.db2.gz MZKGKNYWXDIQMA-GOSISDBHSA-N 1 0 384.509 2.864 20 0 GFADRO O=C(NCc1ccco1)c1cccc(C[NH2+]Cc2cc(-c3nn[nH]n3)cs2)c1 ZINC000823261159 606211912 /nfs/dbraw/zinc/21/19/12/606211912.db2.gz DCUYWUFSAAYTKC-UHFFFAOYSA-N 1 0 394.460 2.741 20 0 GFADRO CC(C)(C)OC(=O)NC[C@H]1CCC[C@@H]1[NH2+]Cc1cc(-c2nn[nH]n2)cs1 ZINC000819939384 606223101 /nfs/dbraw/zinc/22/31/01/606223101.db2.gz AKMQJOWNZYTQER-RISCZKNCSA-N 1 0 378.502 2.711 20 0 GFADRO Cc1ccc([C@@H]([NH2+]CCS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)C2CC2)cc1 ZINC000822231089 606308092 /nfs/dbraw/zinc/30/80/92/606308092.db2.gz ZIPPVFKNBYQBGK-LJQANCHMSA-N 1 0 397.504 2.690 20 0 GFADRO O=C(Nc1ccc(F)cc1-c1nn[nH]n1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000823343652 606351489 /nfs/dbraw/zinc/35/14/89/606351489.db2.gz CPGNKVHTLKDPKD-UHFFFAOYSA-N 1 0 387.463 2.924 20 0 GFADRO O=C(NC[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2-c2nn[nH]n2)C1)c1ccccc1 ZINC000823176395 606379503 /nfs/dbraw/zinc/37/95/03/606379503.db2.gz STVZYUJWSSQJEY-HNNXBMFYSA-N 1 0 394.454 2.648 20 0 GFADRO O=C(CCc1ccccc1)N1CCC([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CC1 ZINC000822983683 606409959 /nfs/dbraw/zinc/40/99/59/606409959.db2.gz SFGXJLWILNXERE-UHFFFAOYSA-N 1 0 396.520 2.642 20 0 GFADRO O[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)c1ccc(OC(F)(F)F)cc1 ZINC000823689297 606415401 /nfs/dbraw/zinc/41/54/01/606415401.db2.gz DCSGRJLHCUCHKF-LBPRGKRZSA-N 1 0 385.371 2.650 20 0 GFADRO CC(C)(C)OC(=O)N1CCCC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC000819933252 606419859 /nfs/dbraw/zinc/41/98/59/606419859.db2.gz LDHWZIKHEBSZSD-GFCCVEGCSA-N 1 0 378.502 2.807 20 0 GFADRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc(-c2nn[nH]n2)c1)[C@@H]1Oc2ccccc2[C@H]1C ZINC000820402332 606471945 /nfs/dbraw/zinc/47/19/45/606471945.db2.gz CTQCGJXJVPQKJZ-VYGYDYRJSA-N 1 0 392.463 2.737 20 0 GFADRO Cn1cc([C@H]2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3OC(F)F)C2)cn1 ZINC000822674353 606487696 /nfs/dbraw/zinc/48/76/96/606487696.db2.gz QZDYIMYYFHZXHO-ZDUSSCGKSA-N 1 0 389.410 2.581 20 0 GFADRO FC(F)Oc1cc(-c2nn[nH]n2)ccc1CN1CCC[C@@H]1C[NH+]1CCCC1 ZINC000822731210 606489532 /nfs/dbraw/zinc/48/95/32/606489532.db2.gz AHCHOWCQZAWPAO-OAHLLOKOSA-N 1 0 378.427 2.528 20 0 GFADRO C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1Cc1ccc(-c2nn[nH]n2)cc1OC(F)F ZINC000820803963 606494045 /nfs/dbraw/zinc/49/40/45/606494045.db2.gz KIWFMIYQZQLAHB-DOMZBBRYSA-N 1 0 378.427 2.527 20 0 GFADRO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@H]1N2C(=O)c1ccc(-c2nn[nH]n2)s1 ZINC000822275414 606499103 /nfs/dbraw/zinc/49/91/03/606499103.db2.gz UMMGKMQDRGCQHB-UKRRQHHQSA-N 1 0 380.477 2.685 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)Cc2ccc(-c3nn[nH]n3)cc2OC(F)F)C[C@@H]1C ZINC000821253202 606500130 /nfs/dbraw/zinc/50/01/30/606500130.db2.gz DVFGEWLENVSZJE-WFASDCNBSA-N 1 0 380.443 2.773 20 0 GFADRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)c2cc(-c3nn[nH]n3)cs2)CC1 ZINC000820570725 606512090 /nfs/dbraw/zinc/51/20/90/606512090.db2.gz PTSBNRSBEOYEBR-ZDUSSCGKSA-N 1 0 382.493 2.884 20 0 GFADRO Cc1nnc(N2CC[NH+](C3CCC(C(C)C)CC3)CC2)c(-c2nn[nH]n2)c1C ZINC000822510325 606609516 /nfs/dbraw/zinc/60/95/16/606609516.db2.gz LVBOAWLBRPEDKB-UHFFFAOYSA-N 1 0 384.532 2.610 20 0 GFADRO C[C@H](CC[S@@](C)=O)[NH2+]Cc1cccc(OCc2cccc(-c3nn[nH]n3)c2)c1 ZINC000820249322 606707129 /nfs/dbraw/zinc/70/71/29/606707129.db2.gz USHWJVYHGAVOBA-WQIZZMQYSA-N 1 0 399.520 2.692 20 0 GFADRO CC(C)(C)OC(=O)C[C@H]1CCC[N@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC000819928230 606753374 /nfs/dbraw/zinc/75/33/74/606753374.db2.gz LITSJZWFNDETGE-CYBMUJFWSA-N 1 0 375.448 2.950 20 0 GFADRO COC(=O)[C@@H](C)[C@H]([NH2+]CCCOc1ccc(-c2nn[nH]n2)cc1)c1ccccc1 ZINC000821639034 606770502 /nfs/dbraw/zinc/77/05/02/606770502.db2.gz NONOTBSXFCFDAD-KXBFYZLASA-N 1 0 395.463 2.776 20 0 GFADRO O[C@H](C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2)c1ccc(-c2nn[nH]n2)cc1 ZINC000823681482 606849567 /nfs/dbraw/zinc/84/95/67/606849567.db2.gz DUTGNZISMPGBGI-ZWKOTPCHSA-N 1 0 393.447 2.508 20 0 GFADRO O[C@H](C[NH2+]Cc1cnc2ccc(-c3nn[nH]n3)cn12)c1cc2ccccc2s1 ZINC000823689151 606870182 /nfs/dbraw/zinc/87/01/82/606870182.db2.gz BQMSYYDMFNDXMP-OAHLLOKOSA-N 1 0 391.460 2.552 20 0 GFADRO O[C@@H](C[NH2+]Cc1cnc2ccc(-c3nn[nH]n3)cn12)c1cc2ccccc2s1 ZINC000823689150 606870545 /nfs/dbraw/zinc/87/05/45/606870545.db2.gz BQMSYYDMFNDXMP-HNNXBMFYSA-N 1 0 391.460 2.552 20 0 GFADRO COc1ccc(C[N@H+](C)CCCOc2cccc(-c3nn[nH]n3)c2)c(OC)c1 ZINC000821794878 606884414 /nfs/dbraw/zinc/88/44/14/606884414.db2.gz OWSGHQQXERYVKE-UHFFFAOYSA-N 1 0 383.452 2.785 20 0 GFADRO O[C@H](C[N@@H+](Cc1ccccc1)CC1CCOCC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823672132 606897814 /nfs/dbraw/zinc/89/78/14/606897814.db2.gz BDGDOYVARHPVQR-OAQYLSRUSA-N 1 0 393.491 2.829 20 0 GFADRO CN(Cc1ccccc1)[C@H]1CC[N@H+](CCCOc2cccc(-c3nn[nH]n3)c2)C1 ZINC000821614523 606909476 /nfs/dbraw/zinc/90/94/76/606909476.db2.gz JQHHAPFBVIUSPC-FQEVSTJZSA-N 1 0 392.507 2.842 20 0 GFADRO O[C@@H](C[C@@H]1CCC[N@@H+]1C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1)c1cccs1 ZINC000823682835 606910129 /nfs/dbraw/zinc/91/01/29/606910129.db2.gz VIDPJBSTGWLMNB-YESZJQIVSA-N 1 0 385.493 2.550 20 0 GFADRO O=C(Nc1ccccc1O)C1CC[NH+](Cc2ccc(F)c(-c3nn[nH]n3)c2)CC1 ZINC000823372848 606962759 /nfs/dbraw/zinc/96/27/59/606962759.db2.gz LVQHDKMBNIAZJK-UHFFFAOYSA-N 1 0 396.426 2.562 20 0 GFADRO CCCCCCNC(=O)[C@@H]1CCC[N@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC000821056104 606966189 /nfs/dbraw/zinc/96/61/89/606966189.db2.gz KRFLFDYVPKGZOR-MRXNPFEDSA-N 1 0 388.491 2.914 20 0 GFADRO CC[C@@H](C(=O)Nc1ccc(Oc2ccc(-c3nn[nH]n3)cc2OC)cc1)[NH+](C)C ZINC000820841608 606969134 /nfs/dbraw/zinc/96/91/34/606969134.db2.gz APKZHSYVRUXFNT-INIZCTEOSA-N 1 0 396.451 2.946 20 0 GFADRO C[C@@H]1C[N@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000820759163 606973171 /nfs/dbraw/zinc/97/31/71/606973171.db2.gz IAAHFPMEZDVWAG-MLGOLLRUSA-N 1 0 390.463 2.741 20 0 GFADRO C[N@@H+]1CCC[C@H]2CN(C(=S)Nc3ccc(-c4nn[nH]n4)c(Cl)c3)CC[C@H]21 ZINC000821625172 606978946 /nfs/dbraw/zinc/97/89/46/606978946.db2.gz GWSSXTGNAIYOGA-XHDPSFHLSA-N 1 0 391.932 2.633 20 0 GFADRO COCCOCC[N@H+](Cc1ccccc1)Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC000821692969 606981014 /nfs/dbraw/zinc/98/10/14/606981014.db2.gz LPDCWDUTTPOIEE-UHFFFAOYSA-N 1 0 385.443 2.671 20 0 GFADRO C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+][C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000820225786 607012128 /nfs/dbraw/zinc/01/21/28/607012128.db2.gz PJBZIUDZFCRHOB-NEPJUHHUSA-N 1 0 385.859 2.983 20 0 GFADRO C[N@@H+]1CCC[C@H]2CN(c3c(-c4nn[nH]n4)cnc4c(F)cc(F)cc43)CC[C@H]21 ZINC000821625921 607030909 /nfs/dbraw/zinc/03/09/09/607030909.db2.gz YLXRQKLQNDBSBY-MEDUHNTESA-N 1 0 385.422 2.614 20 0 GFADRO c1ccc(C[N@@H+]2CCC[C@H]3CN(c4cccc(-c5nn[nH]n5)n4)CC[C@H]32)cc1 ZINC000823780982 607033328 /nfs/dbraw/zinc/03/33/28/607033328.db2.gz XZQOIKUQSXKOSB-PKOBYXMFSA-N 1 0 375.480 2.753 20 0 GFADRO Fc1cccc2c1CC[C@H]2[NH2+]C1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1 ZINC000822791242 607047195 /nfs/dbraw/zinc/04/71/95/607047195.db2.gz GCADAZSVLQPECO-GOSISDBHSA-N 1 0 379.443 2.647 20 0 GFADRO Fc1ccc2c(c1)[C@H]([NH2+]C1CCN(c3ccc(-c4nn[nH]n4)cn3)CC1)CC2 ZINC000822782981 607047231 /nfs/dbraw/zinc/04/72/31/607047231.db2.gz OLKYEHRGSKZNDP-GOSISDBHSA-N 1 0 379.443 2.647 20 0 GFADRO CC(C)(C)OC(=O)NC[C@@](C)([NH2+]Cc1ccc(F)cc1-c1nn[nH]n1)C1CC1 ZINC000819940359 607102719 /nfs/dbraw/zinc/10/27/19/607102719.db2.gz YMYSAUBAHFVFFL-LJQANCHMSA-N 1 0 390.463 2.789 20 0 GFADRO CCC1(CC)[C@H]([N@H+](C)Cc2nnc(-c3ccc(-c4nn[nH]n4)cc3)o2)C[C@@H]1OC ZINC000820958111 607106001 /nfs/dbraw/zinc/10/60/01/607106001.db2.gz RNAXXXGWIWLFJZ-CVEARBPZSA-N 1 0 397.483 2.942 20 0 GFADRO CCC1(CC)[C@H](OC)C[C@H]1[N@H+](C)CCC(=O)Nc1ccccc1-c1nn[nH]n1 ZINC000820955639 607106176 /nfs/dbraw/zinc/10/61/76/607106176.db2.gz DGWLREAKKAQVKL-IAGOWNOFSA-N 1 0 386.500 2.721 20 0 GFADRO Cc1cccc(C(=O)N(CC[NH+](C)C)Cc2ccc(-c3nn[nH]n3)cc2)c1F ZINC000822283785 607155982 /nfs/dbraw/zinc/15/59/82/607155982.db2.gz CPJCUHKHSOSOKD-UHFFFAOYSA-N 1 0 382.443 2.518 20 0 GFADRO Fc1ccc(CCN2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)cc1F ZINC000822767032 607173989 /nfs/dbraw/zinc/17/39/89/607173989.db2.gz UFMSOXCZNMERIR-UHFFFAOYSA-N 1 0 384.434 2.505 20 0 GFADRO Cc1ccc(-c2nn[nH]n2)c(N2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)n1 ZINC000822215036 607226626 /nfs/dbraw/zinc/22/66/26/607226626.db2.gz JOWFJBPFMVTFIX-UHFFFAOYSA-N 1 0 383.887 2.936 20 0 GFADRO CC[NH+](CC)[C@H](CNC(=O)c1ncc(-c2nn[nH]n2)cc1Cl)c1ccccc1 ZINC000821180746 607231210 /nfs/dbraw/zinc/23/12/10/607231210.db2.gz GXBXYFXVFZUALL-MRXNPFEDSA-N 1 0 399.886 2.728 20 0 GFADRO CC(C)c1ccc(CC[NH2+]CCS(=O)(=O)c2cccc(-c3nn[nH]n3)c2)cc1 ZINC000824347445 607814407 /nfs/dbraw/zinc/81/44/07/607814407.db2.gz ASLLGZAOUYFBMT-UHFFFAOYSA-N 1 0 399.520 2.596 20 0 GFADRO O=S(=O)(CC[NH2+]Cc1csc2ccccc12)c1cccc(-c2nn[nH]n2)c1 ZINC000826485120 607815590 /nfs/dbraw/zinc/81/55/90/607815590.db2.gz DDNMASJZXYSXKJ-UHFFFAOYSA-N 1 0 399.501 2.645 20 0 GFADRO CC(C)CC[C@@H]1CCCC[N@@H+]1CCS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000824245270 607816015 /nfs/dbraw/zinc/81/60/15/607816015.db2.gz XFKINSRZNJSTIM-KRWDZBQOSA-N 1 0 391.541 2.931 20 0 GFADRO CCC[C@H](C)[C@@H]1CCC[N@@H+]1CCS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000825234225 607829633 /nfs/dbraw/zinc/82/96/33/607829633.db2.gz XOEFVTLOBBKKGB-YOEHRIQHSA-N 1 0 377.514 2.541 20 0 GFADRO O=C(c1c(Cl)cc(-c2nn[nH]n2)cc1Cl)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000826468401 607834529 /nfs/dbraw/zinc/83/45/29/607834529.db2.gz OMTTWVROJTYIAA-LBPRGKRZSA-N 1 0 395.294 2.874 20 0 GFADRO C[NH+](C)CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)[C@H]1CCCC(C)(C)C1 ZINC000825865557 607888397 /nfs/dbraw/zinc/88/83/97/607888397.db2.gz FUNRZUGCIFIPOW-SFHVURJKSA-N 1 0 384.528 2.973 20 0 GFADRO CC[NH+](CC)CCOc1ccc(CNc2cccc(-c3nn[nH]n3)n2)cc1OC ZINC000825417327 607896373 /nfs/dbraw/zinc/89/63/73/607896373.db2.gz PYHUZDNQRPSZLI-UHFFFAOYSA-N 1 0 397.483 2.603 20 0 GFADRO C[NH+]1CCC([C@H]2CCN(c3c(-c4nn[nH]n4)cnc4c(F)ccc(F)c43)C2)CC1 ZINC000826022461 607903984 /nfs/dbraw/zinc/90/39/84/607903984.db2.gz NWDYEUHDKGIGNR-ZDUSSCGKSA-N 1 0 399.449 2.861 20 0 GFADRO C[C@@H]1C[N@@H+](C)C[C@H](C)N1C(=O)c1cccc(Oc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000824974724 607913313 /nfs/dbraw/zinc/91/33/13/607913313.db2.gz DYUPHNCKCWQRHX-GASCZTMLSA-N 1 0 392.463 2.824 20 0 GFADRO C[N@@H+]1CC[C@@H](NC(=S)Nc2ccccc2-c2nn[nH]n2)[C@H]1c1ccccc1 ZINC000826029794 607968334 /nfs/dbraw/zinc/96/83/34/607968334.db2.gz WUYXBAWVGJQFSB-IAGOWNOFSA-N 1 0 379.493 2.599 20 0 GFADRO CC[C@@H](C)[C@@H](C(=O)Nc1n[nH]c(CCC[NH2+]C)c1-c1nn[nH]n1)c1ccccc1 ZINC000825052456 608020988 /nfs/dbraw/zinc/02/09/88/608020988.db2.gz XBTMXAXFZSBXDL-CZUORRHYSA-N 1 0 396.499 2.510 20 0 GFADRO C[N@@H+]1CCC[C@H]2CN(c3ccc(-c4nn[nH]n4)cc3Br)CC[C@H]21 ZINC000826033465 608051537 /nfs/dbraw/zinc/05/15/37/608051537.db2.gz DQFQHGRVUFKTGY-GXTWGEPZSA-N 1 0 377.290 2.550 20 0 GFADRO CC(C)(O)C[N@@H+]1CCc2c(cccc2NCc2cccc(-c3nn[nH]n3)c2)C1 ZINC000824171917 608134048 /nfs/dbraw/zinc/13/40/48/608134048.db2.gz HBMPNYYZCMYPGV-UHFFFAOYSA-N 1 0 378.480 2.608 20 0 GFADRO c1cc(C[NH2+]CC[C@H]2CCOC2)cc(OCc2cccc(-c3nn[nH]n3)c2)c1 ZINC000826515733 608135863 /nfs/dbraw/zinc/13/58/63/608135863.db2.gz JEXDBCXCOLTBNI-INIZCTEOSA-N 1 0 379.464 2.962 20 0 GFADRO C[NH+](C)CCN(CCc1ccccc1)c1snc(Cl)c1-c1nn[nH]n1 ZINC000825866091 608188701 /nfs/dbraw/zinc/18/87/01/608188701.db2.gz QVRWBBMTCFWXFV-UHFFFAOYSA-N 1 0 377.905 2.587 20 0 GFADRO C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)c1cccc(Nc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000824858040 608202237 /nfs/dbraw/zinc/20/22/37/608202237.db2.gz HBTLDLMURYTZNO-LSDHHAIUSA-N 1 0 391.479 2.775 20 0 GFADRO C[C@H]1C[NH+](CCCCNc2ccc3cc(-c4nn[nH]n4)ccc3n2)C[C@H](C)O1 ZINC000824985891 608231612 /nfs/dbraw/zinc/23/16/12/608231612.db2.gz ZKUJRUXZRBEHPR-GJZGRUSLSA-N 1 0 381.484 2.716 20 0 GFADRO C[C@H](CCO)[N@H+](Cc1cn2ccccc2c1-c1nn[nH]n1)Cc1ccccc1 ZINC000824406647 608267776 /nfs/dbraw/zinc/26/77/76/608267776.db2.gz OXTMMBJPPWIXQS-MRXNPFEDSA-N 1 0 376.464 2.893 20 0 GFADRO C[NH+](C)[C@H](CNc1nc2c(cc1-c1nn[nH]n1)CCCC2)c1ccc(F)cc1 ZINC000825851203 608276770 /nfs/dbraw/zinc/27/67/70/608276770.db2.gz UYZYAHMBRLUIGF-GOSISDBHSA-N 1 0 381.459 2.994 20 0 GFADRO C[C@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]CCOc1ccc(-c2nn[nH]n2)cc1 ZINC000824985575 608281321 /nfs/dbraw/zinc/28/13/21/608281321.db2.gz XNFWVCPFPZXCMN-UWJYYQICSA-N 1 0 392.507 2.746 20 0 GFADRO COc1ccc([C@H](C)[NH2+]Cc2ccc(OC)c(-c3nn[nH]n3)c2)cc1NC(C)=O ZINC000826188011 608286376 /nfs/dbraw/zinc/28/63/76/608286376.db2.gz KWQLHFNSVNFKHS-LBPRGKRZSA-N 1 0 396.451 2.693 20 0 GFADRO COc1ccc(C[NH2+][C@H](C)CC(=O)Nc2cccc(C)c2C)cc1-c1nn[nH]n1 ZINC000826201890 608286645 /nfs/dbraw/zinc/28/66/45/608286645.db2.gz HRPWRMFWLVXURZ-CQSZACIVSA-N 1 0 394.479 2.999 20 0 GFADRO c1ccc2c(c1)CC([NH2+]C1CCC(Oc3ccc(-c4nn[nH]n4)cn3)CC1)C2 ZINC000826523852 608289330 /nfs/dbraw/zinc/28/93/30/608289330.db2.gz ZYQOLEWOPRPNIU-UHFFFAOYSA-N 1 0 376.464 2.709 20 0 GFADRO O=C1C[C@@H]([NH2+]Cc2cc(-c3nn[nH]n3)cs2)CN1c1ccc(Cl)c(F)c1 ZINC000826479087 608310688 /nfs/dbraw/zinc/31/06/88/608310688.db2.gz QCHMCNCVDXDVGK-SNVBAGLBSA-N 1 0 392.847 2.616 20 0 GFADRO CCOC[C@H]1CCC[N@H+](Cc2c(-c3nn[nH]n3)c(C)nn2-c2ccccc2)C1 ZINC000825589683 608311624 /nfs/dbraw/zinc/31/16/24/608311624.db2.gz ITAGYXPMGXEBRF-INIZCTEOSA-N 1 0 381.484 2.609 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)Cc2c(-c3nn[nH]n3)c(C)nn2-c2ccccc2)[C@@H](C)C1 ZINC000825451846 608316501 /nfs/dbraw/zinc/31/65/01/608316501.db2.gz LFEFOSQCKIMOLP-YJBOKZPZSA-N 1 0 394.527 2.523 20 0 GFADRO COc1cc(-c2nn[nH]n2)ccc1C[N@@H+]1CCCC[C@@H]1[C@H](O)c1ccccc1 ZINC000826168881 608370632 /nfs/dbraw/zinc/37/06/32/608370632.db2.gz BBVGGHAHISSCLH-UYAOXDASSA-N 1 0 379.464 2.963 20 0 GFADRO c1cc(C[NH2+]CCCN2CCC2)cc(OCc2cccc(-c3nn[nH]n3)c2)c1 ZINC000826515493 608386456 /nfs/dbraw/zinc/38/64/56/608386456.db2.gz AIEYNULTMICUOB-UHFFFAOYSA-N 1 0 378.480 2.631 20 0 GFADRO c1cc(C[NH2+]CCc2cnccn2)cc(OCc2cccc(-c3nn[nH]n3)c2)c1 ZINC000826516530 608429962 /nfs/dbraw/zinc/42/99/62/608429962.db2.gz OCJPLTWFOJTXED-UHFFFAOYSA-N 1 0 387.447 2.568 20 0 GFADRO COc1cccc([C@@H](C)[NH2+]CC(=O)Nc2sc(C)c(C)c2-c2nn[nH]n2)c1 ZINC000826214450 608432491 /nfs/dbraw/zinc/43/24/91/608432491.db2.gz MGMYNGFHIAYPOQ-LLVKDONJSA-N 1 0 386.481 2.843 20 0 GFADRO CCOc1ccccc1[C@@H](CC)[NH2+]CC(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000825653345 608457933 /nfs/dbraw/zinc/45/79/33/608457933.db2.gz BCLQMUBUSLFIMG-QGZVFWFLSA-N 1 0 380.452 2.945 20 0 GFADRO CCc1ccc(CN(C)C(=O)C[NH2+][C@H](C)c2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000825711542 608465671 /nfs/dbraw/zinc/46/56/71/608465671.db2.gz FFSWMGOCEAGOGH-OAHLLOKOSA-N 1 0 378.480 2.738 20 0 GFADRO C[C@@H]([NH2+]C[C@@H](O)COc1ccc(-c2nn[nH]n2)cc1)c1ccc(F)c(Cl)c1 ZINC000824572746 608471219 /nfs/dbraw/zinc/47/12/19/608471219.db2.gz XKMZKPSMDKEGKA-BXUZGUMPSA-N 1 0 391.834 2.750 20 0 GFADRO COc1ccc(-c2nn[nH]n2)cc1C[NH2+][C@@H](C)c1cccc(N2CCCC2=O)c1 ZINC000826184317 608476635 /nfs/dbraw/zinc/47/66/35/608476635.db2.gz SIMGLLSBUGFXQE-AWEZNQCLSA-N 1 0 392.463 2.853 20 0 GFADRO C[C@@H]([NH2+]CCS(=O)(=O)c1cccc(-c2nn[nH]n2)c1)C(C)(C)c1ccccc1 ZINC000824598762 608477591 /nfs/dbraw/zinc/47/75/91/608477591.db2.gz IJLWXTXXEZDTJI-OAHLLOKOSA-N 1 0 399.520 2.596 20 0 GFADRO CCN(Cc1cccc(F)c1)C(=O)C[NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1 ZINC000825434814 608483816 /nfs/dbraw/zinc/48/38/16/608483816.db2.gz GFAOZFOVTDIBNU-AWEZNQCLSA-N 1 0 382.443 2.705 20 0 GFADRO CCNC(=O)c1ccc(C[NH2+][C@@H]2CCCc3cc(-c4nn[nH]n4)ccc32)cc1 ZINC000825476735 608502297 /nfs/dbraw/zinc/50/22/97/608502297.db2.gz UPKFUMHXFVXSKG-LJQANCHMSA-N 1 0 376.464 2.784 20 0 GFADRO Cc1cccc(C)c1OC[C@@H](O)C[NH2+][C@@H]1CCCc2cc(-c3nn[nH]n3)ccc21 ZINC000826296788 608503970 /nfs/dbraw/zinc/50/39/70/608503970.db2.gz JDTBAAJKKZTKAL-AZUAARDMSA-N 1 0 393.491 2.890 20 0 GFADRO C[C@H]([NH2+][C@H]1CCCc2cc(-c3nn[nH]n3)ccc21)c1ccc(S(C)(=O)=O)cc1 ZINC000824548580 608505301 /nfs/dbraw/zinc/50/53/01/608505301.db2.gz XYADHWGMYITKMK-DJJJIMSYSA-N 1 0 397.504 2.998 20 0 GFADRO O=C(NCC[NH2+][C@H]1CCCc2cc(-c3nn[nH]n3)ccc21)c1ccccc1Cl ZINC000826437277 608511282 /nfs/dbraw/zinc/51/12/82/608511282.db2.gz DDJWQSFACMEDIC-SFHVURJKSA-N 1 0 396.882 2.917 20 0 GFADRO O=C(CC[NH2+][C@H](c1ccccc1)[C@@H]1CCOC1)Nc1sccc1-c1nn[nH]n1 ZINC000826407091 608526589 /nfs/dbraw/zinc/52/65/89/608526589.db2.gz ASGZUCIUAZQNAD-RHSMWYFYSA-N 1 0 398.492 2.624 20 0 GFADRO COc1cc(F)c([C@@H](C)[NH2+]CCOc2cccc(-c3nn[nH]n3)c2)cc1OC ZINC000826180069 608526733 /nfs/dbraw/zinc/52/67/33/608526733.db2.gz RAUQHVRVOGLWMR-GFCCVEGCSA-N 1 0 387.415 2.753 20 0 GFADRO O[C@@H](C[NH2+]C1(c2cccc(-c3nn[nH]n3)c2)CC1)COc1ccccc1Cl ZINC000826503368 608528700 /nfs/dbraw/zinc/52/87/00/608528700.db2.gz WAATXLJKIBZHBR-HNNXBMFYSA-N 1 0 385.855 2.539 20 0 GFADRO Cc1cccc([C@@H](C)[NH2+]CCS(=O)(=O)c2cccc(-c3nn[nH]n3)c2)c1C ZINC000826296216 608533832 /nfs/dbraw/zinc/53/38/32/608533832.db2.gz NLLXPZGTXFHRJF-OAHLLOKOSA-N 1 0 385.493 2.608 20 0 GFADRO O=C(C[NH2+]C1(c2cccc(-c3nn[nH]n3)c2)CC1)N[C@@H]1CCCc2ccccc21 ZINC000826412471 608534077 /nfs/dbraw/zinc/53/40/77/608534077.db2.gz PCDVALNMNOGUAY-LJQANCHMSA-N 1 0 388.475 2.639 20 0 GFADRO C[C@H]([NH2+]C[C@@H](O)COc1ccc(-c2nn[nH]n2)cc1)c1ccc(F)cc1Cl ZINC000824572411 608534652 /nfs/dbraw/zinc/53/46/52/608534652.db2.gz URHJEKPELNAPIG-SMDDNHRTSA-N 1 0 391.834 2.750 20 0 GFADRO CCc1ccc(C(C)(C)[NH2+]CCS(=O)(=O)c2cccc(-c3nn[nH]n3)c2)cc1 ZINC000825704631 608538397 /nfs/dbraw/zinc/53/83/97/608538397.db2.gz LCCXBDBJYVGZNA-UHFFFAOYSA-N 1 0 399.520 2.728 20 0 GFADRO COc1cccc(F)c1[C@H](C)[NH2+]CCC(=O)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000826217082 608538860 /nfs/dbraw/zinc/53/88/60/608538860.db2.gz YEHUHGPBTRGSBT-LBPRGKRZSA-N 1 0 384.415 2.694 20 0 GFADRO O=C(NC1CCCCC1)NC1CC[NH+](Cc2cc(-c3nn[nH]n3)cs2)CC1 ZINC000826429374 608630206 /nfs/dbraw/zinc/63/02/06/608630206.db2.gz AWOVSTLFVQKNAZ-UHFFFAOYSA-N 1 0 389.529 2.525 20 0 GFADRO Cc1ccc(CNC(=O)C2CC[NH+](Cc3cc(-c4nn[nH]n4)cs3)CC2)cc1 ZINC000826288014 608655709 /nfs/dbraw/zinc/65/57/09/608655709.db2.gz NBHLPROHEYZNMM-UHFFFAOYSA-N 1 0 396.520 2.765 20 0 GFADRO COC[C@H]1CC[N@H+](Cc2cccc(OCc3cccc(-c4nn[nH]n4)c3)c2)C1 ZINC000826153489 608699188 /nfs/dbraw/zinc/69/91/88/608699188.db2.gz PFIVERJONAXCDK-SFHVURJKSA-N 1 0 379.464 2.914 20 0 GFADRO O[C@@H](C[C@H]1CCC[N@@H+]1Cc1cnc2ccc(-c3nn[nH]n3)cn12)c1cccs1 ZINC000826503411 608833364 /nfs/dbraw/zinc/83/33/64/608833364.db2.gz WZZLJVJBWQNMSH-ZBFHGGJFSA-N 1 0 395.492 2.664 20 0 GFADRO c1cc(-c2nn[nH]n2)oc1CN1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000826521533 608845795 /nfs/dbraw/zinc/84/57/95/608845795.db2.gz QGCHURHTZLHPDS-PKOBYXMFSA-N 1 0 378.480 2.946 20 0 GFADRO C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@@H+]1Cc1cc(-c2nn[nH]n2)cs1 ZINC000824893394 608846926 /nfs/dbraw/zinc/84/69/26/608846926.db2.gz QIFZERWYXVWHTH-WCQYABFASA-N 1 0 378.502 2.806 20 0 GFADRO CCC1(CC)[C@H]([NH2+][C@H](C)C(=O)Nc2ccccc2-c2nn[nH]n2)[C@H](C)[C@H]1OC ZINC000825165088 608885219 /nfs/dbraw/zinc/88/52/19/608885219.db2.gz RTORLDVJOQLPJF-NSNWQYSKSA-N 1 0 386.500 2.623 20 0 GFADRO C[C@H]([NH2+]CCCc1nnc2n1CCCCC2)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824593723 609139739 /nfs/dbraw/zinc/13/97/39/609139739.db2.gz SIWUJXBWGSMIMR-ZDUSSCGKSA-N 1 0 384.463 2.607 20 0 GFADRO COc1cccc(N2CC[C@@H]([NH2+][C@H](C)c3ccc(-c4nn[nH]n4)c(F)c3)C2)c1 ZINC000826216533 609140229 /nfs/dbraw/zinc/14/02/29/609140229.db2.gz CODCXBFESCIPRB-UKRRQHHQSA-N 1 0 382.443 2.944 20 0 GFADRO C[C@@H]([NH2+]CCc1cccc(C(=O)N(C)C)c1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824607329 609145654 /nfs/dbraw/zinc/14/56/54/609145654.db2.gz XIMAVOANGQTUKC-CYBMUJFWSA-N 1 0 382.443 2.601 20 0 GFADRO COc1ccc(NC2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)c(OC)c1 ZINC000826210200 609158459 /nfs/dbraw/zinc/15/84/59/609158459.db2.gz IXCDIHBRICTNMS-UHFFFAOYSA-N 1 0 394.479 2.960 20 0 GFADRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)c(C)n1 ZINC000826283352 609168088 /nfs/dbraw/zinc/16/80/88/609168088.db2.gz OYSXBNQZGBUYOU-HNAYVOBHSA-N 1 0 391.479 2.725 20 0 GFADRO C[C@H](O)[C@@H]1CC[N@H+](Cc2cccc(OCc3ccccc3-c3nn[nH]n3)c2)C1 ZINC000824687945 609175283 /nfs/dbraw/zinc/17/52/83/609175283.db2.gz HOKPRQWHGNYMIG-DOTOQJQBSA-N 1 0 379.464 2.648 20 0 GFADRO C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)c3c[nH]c(-c4nn[nH]n4)c3)cc2)C1 ZINC000824874303 609195753 /nfs/dbraw/zinc/19/57/53/609195753.db2.gz BWGVIMKXJNUNFU-GJZGRUSLSA-N 1 0 393.495 2.603 20 0 GFADRO C[C@H]([NH2+]C1(c2cccc(-c3nn[nH]n3)c2)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000824539328 609250127 /nfs/dbraw/zinc/25/01/27/609250127.db2.gz MVZWZRZRVBIENI-ZDUSSCGKSA-N 1 0 383.477 2.610 20 0 GFADRO C[C@@H]([NH2+]CC(C)(C)N1C[C@@H](C)O[C@H](C)C1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824977580 609324997 /nfs/dbraw/zinc/32/49/97/609324997.db2.gz RDFMACHIXDWPNJ-MGPQQGTHSA-N 1 0 376.480 2.544 20 0 GFADRO COc1ccc(C[NH2+]Cc2cn(C)nc2-c2ccc(-c3nn[nH]n3)cc2)cc1F ZINC000826202838 609335237 /nfs/dbraw/zinc/33/52/37/609335237.db2.gz PGLAOEBDMZAXMY-UHFFFAOYSA-N 1 0 393.426 2.705 20 0 GFADRO CCOCCC[N@@H+]1CC[C@H](N[C@@H](C)c2ccc(-c3nn[nH]n3)cc2F)[C@@H](C)C1 ZINC000825594264 609336295 /nfs/dbraw/zinc/33/62/95/609336295.db2.gz JFOPYYLWNIQMMP-DOXZYTNZSA-N 1 0 390.507 2.793 20 0 GFADRO Cn1cc(C[NH2+]CCOc2cccc(F)c2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826361904 609337847 /nfs/dbraw/zinc/33/78/47/609337847.db2.gz VJOKMWYQYXPWPP-UHFFFAOYSA-N 1 0 393.426 2.575 20 0 GFADRO C[C@@H](C[NH2+]Cc1cn(C)nc1-c1ccc(-c2nn[nH]n2)cc1)Oc1ccccc1 ZINC000824428250 609339501 /nfs/dbraw/zinc/33/95/01/609339501.db2.gz RFMXLRGOUQKSFF-HNNXBMFYSA-N 1 0 389.463 2.824 20 0 GFADRO COc1cccc([C@H]2[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)CCN2C2CC2)c1 ZINC000826215457 609346648 /nfs/dbraw/zinc/34/66/48/609346648.db2.gz PHJJBIYCLRUCEB-SFTDATJTSA-N 1 0 390.491 2.943 20 0 GFADRO CC[C@H](O)[C@H]1CCCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1Br ZINC000825154853 609361800 /nfs/dbraw/zinc/36/18/00/609361800.db2.gz UUCHYVNRDVIPTA-CABCVRRESA-N 1 0 380.290 2.755 20 0 GFADRO O=C1[C@H]([NH2+]Cc2ccccc2Cl)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826477312 609411983 /nfs/dbraw/zinc/41/19/83/609411983.db2.gz ZOQZCJCVRIKANH-QGZVFWFLSA-N 1 0 382.855 2.805 20 0 GFADRO CCc1ccc(C[NH2+][C@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)cc1 ZINC000825712704 609414995 /nfs/dbraw/zinc/41/49/95/609414995.db2.gz VOPUFNMQNUOIDM-IBGZPJMESA-N 1 0 376.464 2.714 20 0 GFADRO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)Nc1ccc(-c2nn[nH]n2)c(C(F)(F)F)c1 ZINC000824226254 609494079 /nfs/dbraw/zinc/49/40/79/609494079.db2.gz WTJGZXKXFKWWFS-CQSZACIVSA-N 1 0 397.405 2.689 20 0 GFADRO COc1cccc([C@H](CNc2nccc(C)c2-c2nn[nH]n2)[NH+]2CCCC2)c1 ZINC000826214319 609521983 /nfs/dbraw/zinc/52/19/83/609521983.db2.gz HYVRSOJYAZYVIU-KRWDZBQOSA-N 1 0 379.468 2.828 20 0 GFADRO O=C1[C@H]([NH2+]Cc2cccc3[nH]ccc32)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476370 609600797 /nfs/dbraw/zinc/60/07/97/609600797.db2.gz GEPAVDGIBKRSEK-LJQANCHMSA-N 1 0 387.447 2.633 20 0 GFADRO Cc1ccc(C[NH2+][C@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)cc1C ZINC000826288408 609601733 /nfs/dbraw/zinc/60/17/33/609601733.db2.gz FXXSYEPINBVLDI-IBGZPJMESA-N 1 0 376.464 2.769 20 0 GFADRO CN1C(=O)CN(CN2CCCC[C@@H]2Cc2cccc(Br)c2)C1=O ZINC000817376782 660192533 /nfs/dbraw/zinc/19/25/33/660192533.db2.gz CSYSHTVUJUKKHE-OAHLLOKOSA-N 1 0 380.286 2.698 20 0 GFADRO COCc1nc2n(n1)C[C@@H]([NH2+][C@@H](c1nc(Br)cs1)C1CC1)CC2 ZINC000817580331 660201503 /nfs/dbraw/zinc/20/15/03/660201503.db2.gz INJDKSKUMRGHNP-IINYFYTJSA-N 1 0 398.330 2.699 20 0 GFADRO CN(C[C@@H](O)c1cccc(Br)c1)C(=O)NC1CCC([NH+](C)C)CC1 ZINC000817791767 660208726 /nfs/dbraw/zinc/20/87/26/660208726.db2.gz JTBKYAPESPMMRB-OFLPRAFFSA-N 1 0 398.345 2.997 20 0 GFADRO O=C(NC[C@@H](O)c1cc(Cl)cc(Cl)c1)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000817945327 660212147 /nfs/dbraw/zinc/21/21/47/660212147.db2.gz ZPYXZIDEBSOTDD-HZPDHXFCSA-N 1 0 383.279 2.578 20 0 GFADRO CCS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000818000093 660213180 /nfs/dbraw/zinc/21/31/80/660213180.db2.gz FUAQYTPLRNIGMM-DYVFJYSZSA-N 1 0 384.929 2.738 20 0 GFADRO [NH3+][C@@H]1CCCO[C@H]1C1CCN(C(=O)/C=C/c2ccc(Br)o2)CC1 ZINC000818011069 660213410 /nfs/dbraw/zinc/21/34/10/660213410.db2.gz UUMPORCQLUBPLE-XSCIRMLOSA-N 1 0 383.286 2.800 20 0 GFADRO [NH3+][C@@H]1CCO[C@H](C2CCN(C(=O)/C=C\c3ccc(Br)o3)CC2)C1 ZINC000818014791 660213706 /nfs/dbraw/zinc/21/37/06/660213706.db2.gz NRZHDBYBPSNFNC-GOXQEFCWSA-N 1 0 383.286 2.800 20 0 GFADRO Cc1ccc(-n2nc(Br)cc2C(=O)N2CCC3(CC[NH2+]3)CC2)cc1 ZINC000818021584 660214237 /nfs/dbraw/zinc/21/42/37/660214237.db2.gz AQAUSNPVJIWOQN-UHFFFAOYSA-N 1 0 389.297 2.911 20 0 GFADRO CN(C[C@H](O)C[NH2+]Cc1cc(Br)cs1)C(=O)OC(C)(C)C ZINC000818164805 660218116 /nfs/dbraw/zinc/21/81/16/660218116.db2.gz BVHYZCRSAGBCIP-LLVKDONJSA-N 1 0 379.320 2.828 20 0 GFADRO CCCS(=O)(=O)N1CCC([NH2+]C[C@@H](O)c2ccc(Cl)cc2Cl)CC1 ZINC000818955778 660237968 /nfs/dbraw/zinc/23/79/68/660237968.db2.gz DOODPZUKPSUQLB-MRXNPFEDSA-N 1 0 395.352 2.821 20 0 GFADRO COCCOc1ccc(C[NH2+]C[C@@H](O)c2ccccc2Br)cn1 ZINC000818960265 660238016 /nfs/dbraw/zinc/23/80/16/660238016.db2.gz GBMVFEMAWNXWHA-MRXNPFEDSA-N 1 0 381.270 2.693 20 0 GFADRO CNS(=O)(=O)c1cccc(C[NH2+]C[C@@H](O)c2ccc(Cl)cc2Cl)c1 ZINC000818953853 660238465 /nfs/dbraw/zinc/23/84/65/660238465.db2.gz NTBWRZGDRIYDIQ-MRXNPFEDSA-N 1 0 389.304 2.725 20 0 GFADRO O[C@H](C[NH2+]C[C@H]1CCN(CC(F)(F)F)C1)c1ccc(Br)cc1 ZINC000818972928 660239686 /nfs/dbraw/zinc/23/96/86/660239686.db2.gz OYZIJBOQHDAMDW-BXUZGUMPSA-N 1 0 381.236 2.956 20 0 GFADRO O=C1C[C@H]([NH2+]C[C@@H](O)c2cccc(Br)c2)CN1c1ccccc1 ZINC000818979983 660240838 /nfs/dbraw/zinc/24/08/38/660240838.db2.gz YMBNSCXMSDKHHT-DOTOQJQBSA-N 1 0 375.266 2.878 20 0 GFADRO CC(C)(C)OC(=O)NCC[NH2+]C[C@@H](O)c1ccc(F)c(Br)c1 ZINC000818982328 660241214 /nfs/dbraw/zinc/24/12/14/660241214.db2.gz KQYYEKHEWLCEAF-CYBMUJFWSA-N 1 0 377.254 2.736 20 0 GFADRO COC(=O)N1CCC[C@H]([NH2+]C[C@@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000819004125 660243154 /nfs/dbraw/zinc/24/31/54/660243154.db2.gz WCBMQDSOUGGWJL-QWHCGFSZSA-N 1 0 377.268 2.554 20 0 GFADRO O[C@@H](C[NH2+][C@@H]1CCN(c2ccc(Br)cc2)C1)c1ccc(F)cn1 ZINC000819015501 660243314 /nfs/dbraw/zinc/24/33/14/660243314.db2.gz IGSMUUURDMUVMF-PBHICJAKSA-N 1 0 380.261 2.885 20 0 GFADRO O[C@H](C[NH2+]CC1(N2CCCC2)CCOCC1)c1ccccc1Br ZINC000819021349 660243708 /nfs/dbraw/zinc/24/37/08/660243708.db2.gz QLWVCEWJYLUPHF-QGZVFWFLSA-N 1 0 383.330 2.717 20 0 GFADRO COCCN1CC[C@H]([NH2+]C[C@](C)(O)c2ccc(Br)cc2Cl)C1 ZINC000819039715 660244099 /nfs/dbraw/zinc/24/40/99/660244099.db2.gz SCHNFTPAIAFUML-BBRMVZONSA-N 1 0 391.737 2.620 20 0 GFADRO C[C@](O)(C[NH2+]CCOC[C@H]1CCOC1)c1ccc(Br)cc1Cl ZINC000819046249 660244334 /nfs/dbraw/zinc/24/43/34/660244334.db2.gz ONVXKOYEEOTZCT-LRDDRELGSA-N 1 0 392.721 2.953 20 0 GFADRO C[C@@](O)(C[NH2+]CCN1CCSCC1)c1ccc(Br)cc1Cl ZINC000819056954 660244804 /nfs/dbraw/zinc/24/48/04/660244804.db2.gz PUVMKTQPZUEYDU-OAHLLOKOSA-N 1 0 393.778 2.948 20 0 GFADRO COc1cc(NC(=O)CC[NH2+]CC[S@](=O)C(C)(C)C)c(OC)cc1Cl ZINC000819054719 660244816 /nfs/dbraw/zinc/24/48/16/660244816.db2.gz AVNKMZXQWWLGEP-VWLOTQADSA-N 1 0 390.933 2.823 20 0 GFADRO O[C@H](C[NH2+]CCOc1ncc(C(F)(F)F)cc1Cl)c1ccc(F)cn1 ZINC000819101177 660246619 /nfs/dbraw/zinc/24/66/19/660246619.db2.gz OYSRQPRIVLSHBL-CYBMUJFWSA-N 1 0 379.741 2.990 20 0 GFADRO C[C@@H](C[NH2+]C[C@H](O)c1ccc(S(C)(=O)=O)cc1)Oc1cccc(Cl)c1 ZINC000819112339 660246950 /nfs/dbraw/zinc/24/69/50/660246950.db2.gz DLECHAXPZIRIQL-UGSOOPFHSA-N 1 0 383.897 2.834 20 0 GFADRO CS(=O)(=O)Cc1ccccc1C[NH2+]C[C@H](O)c1cccc(Br)c1 ZINC000819134345 660247611 /nfs/dbraw/zinc/24/76/11/660247611.db2.gz FKPYSLZOLDTJNG-KRWDZBQOSA-N 1 0 398.322 2.817 20 0 GFADRO C[C@H](CO[C@H]1CCOC1)[NH2+]C[C@@](C)(O)c1ccc(Br)cc1F ZINC000819146730 660247946 /nfs/dbraw/zinc/24/79/46/660247946.db2.gz BZDSTDGXGKTDDR-PVXIVEMSSA-N 1 0 376.266 2.579 20 0 GFADRO COCCC(=O)N1CCC([NH2+]C[C@@H](O)c2ccc(Cl)cc2Cl)CC1 ZINC000819173378 660248894 /nfs/dbraw/zinc/24/88/94/660248894.db2.gz KBESBAKWUULATG-MRXNPFEDSA-N 1 0 375.296 2.644 20 0 GFADRO O=C1[C@@H]([NH2+]C[C@@H](O)c2cccc(Br)c2)CCCN1c1cccnc1 ZINC000819224318 660250715 /nfs/dbraw/zinc/25/07/15/660250715.db2.gz BSNHVRNLEXOASM-DLBZAZTESA-N 1 0 390.281 2.663 20 0 GFADRO CC(C)(C)OC(=O)N1CCC[C@@](C)(C[NH2+]CCS(=O)(=O)C(C)(C)C)C1 ZINC000819225057 660250757 /nfs/dbraw/zinc/25/07/57/660250757.db2.gz SSATWHNZAJGRDQ-SFHVURJKSA-N 1 0 376.563 2.827 20 0 GFADRO O=S(=O)(NCC[NH2+]C[C@@H](O)c1ccccc1)c1cccc(Cl)c1Cl ZINC000819304133 660254222 /nfs/dbraw/zinc/25/42/22/660254222.db2.gz QZDIGZTZGGPJCD-CQSZACIVSA-N 1 0 389.304 2.595 20 0 GFADRO O=C(N1CCCC1)N1CCC[C@@H]([NH2+]C[C@H](O)c2cccc(Br)c2)C1 ZINC000819305785 660254351 /nfs/dbraw/zinc/25/43/51/660254351.db2.gz USBXVINRXQXNDV-SJORKVTESA-N 1 0 396.329 2.752 20 0 GFADRO O[C@@H](C[NH2+]CCn1cc(Br)cn1)c1ccc(Br)cc1 ZINC000819308040 660254481 /nfs/dbraw/zinc/25/44/81/660254481.db2.gz MGOCXXARYNMXGH-ZDUSSCGKSA-N 1 0 389.091 2.731 20 0 GFADRO COCC1(C[NH2+]C[C@](C)(O)c2ccc(Br)cc2F)CCOCC1 ZINC000819326496 660254868 /nfs/dbraw/zinc/25/48/68/660254868.db2.gz POCQMJSQEYXYJS-INIZCTEOSA-N 1 0 390.293 2.829 20 0 GFADRO COC(=O)c1ccc(OC[C@@H](O)C[NH2+]CC[C@]2(C)CC2(Cl)Cl)cc1 ZINC000819348477 660256186 /nfs/dbraw/zinc/25/61/86/660256186.db2.gz GMOOYRNMCQEAFF-XJKSGUPXSA-N 1 0 376.280 2.777 20 0 GFADRO CS(=O)(=O)c1ccc([C@H](O)C[NH2+]CCOc2ccc(Cl)c(F)c2)cc1 ZINC000819349736 660256208 /nfs/dbraw/zinc/25/62/08/660256208.db2.gz WLNGTWZWTNXXPL-QGZVFWFLSA-N 1 0 387.860 2.585 20 0 GFADRO Cn1nccc1[C@@H]1C[C@@H]([NH2+]C[C@@H](O)c2ccccc2Br)CCO1 ZINC000819356790 660256538 /nfs/dbraw/zinc/25/65/38/660256538.db2.gz ZTAIKASPIMUSBS-VUCTXSBTSA-N 1 0 380.286 2.726 20 0 GFADRO CCCN1C[C@@H](C[NH2+]C[C@@](C)(O)c2ccc(Br)cc2F)CC1=O ZINC000819376101 660257358 /nfs/dbraw/zinc/25/73/58/660257358.db2.gz WOLUQFQPWRSEFB-SJKOYZFVSA-N 1 0 387.293 2.644 20 0 GFADRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2csc(Br)n2)[C@@H](C)C1 ZINC000820035382 660278983 /nfs/dbraw/zinc/27/89/83/660278983.db2.gz LLTAGIPGTKEGHF-NWDGAFQWSA-N 1 0 390.347 2.772 20 0 GFADRO O=C(N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)c1scnc1Br ZINC000820085153 660280470 /nfs/dbraw/zinc/28/04/70/660280470.db2.gz DJCMAFDIBJKRPE-ITGUQSILSA-N 1 0 378.295 2.766 20 0 GFADRO Cn1cc([C@H]([NH2+]C[C@@H](O)c2cccc(Br)c2)C2(CO)CCC2)cn1 ZINC000821288271 660320034 /nfs/dbraw/zinc/32/00/34/660320034.db2.gz PLOKCOCVWYIWBZ-SJORKVTESA-N 1 0 394.313 2.710 20 0 GFADRO Cc1[nH]nc(Br)c1C(=O)Nc1ccc(OCC[NH+](C)C)c(C)c1 ZINC000822462517 660346149 /nfs/dbraw/zinc/34/61/49/660346149.db2.gz IFLBZCBXWMQATJ-UHFFFAOYSA-N 1 0 381.274 2.982 20 0 GFADRO CN(C)c1nc(C[NH2+]CCCCS(C)(=O)=O)c(Cl)n1-c1ccccc1 ZINC000822493955 660346744 /nfs/dbraw/zinc/34/67/44/660346744.db2.gz CRYYZIQTWSWRPO-UHFFFAOYSA-N 1 0 384.933 2.506 20 0 GFADRO CCn1ncc(C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1Br ZINC000822566772 660348070 /nfs/dbraw/zinc/34/80/70/660348070.db2.gz YILGMFYCEUHJPP-HNNXBMFYSA-N 1 0 391.313 2.917 20 0 GFADRO CCN1CCN(C(=O)CC2CC[NH+](CC[C@H]3CC3(Cl)Cl)CC2)CC1 ZINC000822617516 660350049 /nfs/dbraw/zinc/35/00/49/660350049.db2.gz UKERNTUXZLBGFL-INIZCTEOSA-N 1 0 376.372 2.837 20 0 GFADRO COc1cc(/C=C/C(=O)NC[C@H](C2CC2)[NH+](C)C)cc(Br)c1O ZINC000822629414 660350301 /nfs/dbraw/zinc/35/03/01/660350301.db2.gz MUZOAPRPRSYTCX-BTKRWWFXSA-N 1 0 383.286 2.633 20 0 GFADRO Brc1cc2c(cc1Cc1noc([C@H]3C[C@]34CC[NH2+]C4)n1)OCO2 ZINC000822947094 660358707 /nfs/dbraw/zinc/35/87/07/660358707.db2.gz NEUNPZGCJLVXNK-HWPZZCPQSA-N 1 0 378.226 2.619 20 0 GFADRO CCn1ncc(C(=O)N(C)CCC[N@H+](C)Cc2ccncc2)c1Br ZINC000822979063 660359258 /nfs/dbraw/zinc/35/92/58/660359258.db2.gz PXCUPMCLJUDQIR-UHFFFAOYSA-N 1 0 394.317 2.655 20 0 GFADRO C[NH+](C)C1CCC(NC(=O)C[C@H]2C(=O)Nc3ccc(Br)cc32)CC1 ZINC000823119099 660362335 /nfs/dbraw/zinc/36/23/35/660362335.db2.gz DWZZQVZNXGEMGX-SSDMNJCBSA-N 1 0 394.313 2.864 20 0 GFADRO CS(=O)(=O)c1ccc(-c2noc(-c3ccc4c(c3)CC[NH2+]CC4)n2)s1 ZINC000823296078 660367765 /nfs/dbraw/zinc/36/77/65/660367765.db2.gz OXTDZPJLVVVNIW-UHFFFAOYSA-N 1 0 375.475 2.557 20 0 GFADRO O=C(NC1CC[NH+](C[C@H]2CCCO2)CC1)[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC000823298890 660367885 /nfs/dbraw/zinc/36/78/85/660367885.db2.gz ZWZBSFBYVDFCDC-RHSMWYFYSA-N 1 0 387.307 2.786 20 0 GFADRO C[C@H]([C@H](C)S(C)(=O)=O)[N@H+](C)C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000823453621 660372446 /nfs/dbraw/zinc/37/24/46/660372446.db2.gz USVMAJJKRVIAEW-XUWVNRHRSA-N 1 0 376.563 2.775 20 0 GFADRO C[C@H]([C@H](C)S(C)(=O)=O)[N@H+](C)C[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000823453620 660372507 /nfs/dbraw/zinc/37/25/07/660372507.db2.gz USVMAJJKRVIAEW-WCVJEAGWSA-N 1 0 376.563 2.775 20 0 GFADRO CCn1nc(C)c(C[NH2+]C[C@@H]2CCN(c3cccc(Br)c3)C2)n1 ZINC000823703552 660378428 /nfs/dbraw/zinc/37/84/28/660378428.db2.gz ZSOPXQBAXAXXFX-AWEZNQCLSA-N 1 0 378.318 2.985 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc4ccc(Br)cc4c(=O)o3)C[C@@H]2C1 ZINC000823783906 660380059 /nfs/dbraw/zinc/38/00/59/660380059.db2.gz NGCXNTDAPLTKGE-OLZOCXBDSA-N 1 0 391.265 2.579 20 0 GFADRO Brc1cccc2c(C[NH2+]C[C@@H]3CN4CCC[C@H]4CO3)ccnc12 ZINC000823825561 660381071 /nfs/dbraw/zinc/38/10/71/660381071.db2.gz SVCDOZKQQMUJJY-LSDHHAIUSA-N 1 0 376.298 2.950 20 0 GFADRO C[N@@H+](Cc1ccc(Br)c(F)c1)C[C@@H](O)CNC(=O)OC(C)(C)C ZINC000824565219 660397242 /nfs/dbraw/zinc/39/72/42/660397242.db2.gz QRSIYCMKSWBTFY-LBPRGKRZSA-N 1 0 391.281 2.906 20 0 GFADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1cc2cc(Br)sc2[nH]1 ZINC000824740383 660400613 /nfs/dbraw/zinc/40/06/13/660400613.db2.gz DWXFYFGLHSQRJJ-WDEREUQCSA-N 1 0 384.299 2.585 20 0 GFADRO C[N@H+](CCc1ccccc1)[C@H]1CCN(C(=O)c2ncc(Br)cn2)C1 ZINC000825238184 660416896 /nfs/dbraw/zinc/41/68/96/660416896.db2.gz RRIDIBUAIIPRJD-INIZCTEOSA-N 1 0 389.297 2.628 20 0 GFADRO COc1cc(C[NH2+]C[C@@H](O)c2ccccc2Br)cc(OC)c1O ZINC000825343006 660421760 /nfs/dbraw/zinc/42/17/60/660421760.db2.gz HIAXWGMMASMZGT-CQSZACIVSA-N 1 0 382.254 2.995 20 0 GFADRO COCCN(C)c1ccc(C[NH2+]C[C@H](O)c2ccccc2Br)cn1 ZINC000825343883 660421972 /nfs/dbraw/zinc/42/19/72/660421972.db2.gz RCSHOFZQDRPUPM-KRWDZBQOSA-N 1 0 394.313 2.750 20 0 GFADRO Cn1nc(C(=O)N2CCC(C[NH+]3CCCCCC3)CC2)cc1Br ZINC000825460605 660428521 /nfs/dbraw/zinc/42/85/21/660428521.db2.gz BYTGRDFGKLCZJR-UHFFFAOYSA-N 1 0 383.334 2.911 20 0 GFADRO CN(CC[N@H+](C)C1CCCCC1)C(=O)c1c(Br)nc2n1CCC2 ZINC000825471982 660428928 /nfs/dbraw/zinc/42/89/28/660428928.db2.gz GLHATVRHVJTSJF-UHFFFAOYSA-N 1 0 383.334 2.928 20 0 GFADRO C[C@H]1CCC[C@H](CC[NH+](C)C)N1C(=O)c1cc(Br)cn2ncnc12 ZINC000825586835 660434161 /nfs/dbraw/zinc/43/41/61/660434161.db2.gz LKKHSXDUIKFZNC-GXTWGEPZSA-N 1 0 394.317 2.827 20 0 GFADRO Cn1nc(C(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)cc1Br ZINC000825688546 660437827 /nfs/dbraw/zinc/43/78/27/660437827.db2.gz NLMQQFXSCPULGG-CQSZACIVSA-N 1 0 383.334 2.911 20 0 GFADRO Cc1cc([C@@H]([NH3+])CC(=O)N2CCN(Cc3ccsc3)CC2)cc(Cl)n1 ZINC000826030975 660448097 /nfs/dbraw/zinc/44/80/97/660448097.db2.gz ZHQSATCLHZCHFD-INIZCTEOSA-N 1 0 378.929 2.839 20 0 GFADRO O=C(C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)Nc1cc(Cl)ccc1Cl ZINC000826412277 660454183 /nfs/dbraw/zinc/45/41/83/660454183.db2.gz IVOKQSARZQDMRY-UHFFFAOYSA-N 1 0 377.235 2.902 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3[C@@H]4Cc5ccc(Br)cc5[C@@H]43)CC[C@H]21 ZINC000827216766 660484769 /nfs/dbraw/zinc/48/47/69/660484769.db2.gz DIRDVYZNNWFJBT-IDXRPEPOSA-N 1 0 375.310 2.887 20 0 GFADRO C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000827340040 660489977 /nfs/dbraw/zinc/48/99/77/660489977.db2.gz XGUKQBCICYSVTP-HUBLWGQQSA-N 1 0 384.307 2.664 20 0 GFADRO C[N@@H+]1CC[C@H]2CN(C(=O)c3ccc(-n4cc(Br)cn4)cc3)CC[C@H]21 ZINC000827348022 660490317 /nfs/dbraw/zinc/49/03/17/660490317.db2.gz ZHPMHIKZHUNPJR-WMLDXEAASA-N 1 0 389.297 2.801 20 0 GFADRO C[NH+]1CCC(OCC(=O)N2CC(Cc3cccc(Br)c3)C2)CC1 ZINC000827363837 660491536 /nfs/dbraw/zinc/49/15/36/660491536.db2.gz HMHQQFNXAKWMFI-UHFFFAOYSA-N 1 0 381.314 2.561 20 0 GFADRO C[NH+]1CCC(OCC(=O)NCC(=O)c2sc3ccccc3c2Cl)CC1 ZINC000828758422 660569036 /nfs/dbraw/zinc/56/90/36/660569036.db2.gz JDGKSPDAMMMJPX-UHFFFAOYSA-N 1 0 380.897 2.964 20 0 GFADRO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)C[C@@H]1C(=O)Nc2c1cccc2Br ZINC000828958470 660576432 /nfs/dbraw/zinc/57/64/32/660576432.db2.gz FOICMCAVJZNOPV-NWANDNLSSA-N 1 0 392.297 2.570 20 0 GFADRO CN(CC[NH+]1CC2(C1)CCOCC2)C(=O)Cc1cc(F)ccc1Br ZINC000829257835 660586942 /nfs/dbraw/zinc/58/69/42/660586942.db2.gz YABIDYGTEWDQKM-UHFFFAOYSA-N 1 0 399.304 2.702 20 0 GFADRO C[NH+](C)[C@]1(CNC(=O)c2cnn(C(C)(C)C)c2Br)CCSC1 ZINC000829626576 660603909 /nfs/dbraw/zinc/60/39/09/660603909.db2.gz OSBYHXGWWBXSQP-HNNXBMFYSA-N 1 0 389.363 2.568 20 0 GFADRO CC[NH+]1CCC(N(C)S(=O)(=O)c2cnc(Cl)c(Br)c2)CC1 ZINC000829872186 660618432 /nfs/dbraw/zinc/61/84/32/660618432.db2.gz KMVFCOVBGVAUNA-UHFFFAOYSA-N 1 0 396.738 2.602 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)Nc2nnc(CC(F)(F)F)s2)CC[C@@H]1C(F)(F)F ZINC000625869545 652374188 /nfs/dbraw/zinc/37/41/88/652374188.db2.gz UPFJDDPNOYSWGK-RQJHMYQMSA-N 1 0 391.341 2.634 20 0 GFADRO CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)NC[C@H](O)c1c(Cl)cccc1Cl ZINC000830284617 660646762 /nfs/dbraw/zinc/64/67/62/660646762.db2.gz JWNSASWDLGWRNW-KCCQTPCLSA-N 1 0 387.307 2.676 20 0 GFADRO C[C@@H](CNS(=O)(=O)Cc1ccc(Br)c(F)c1)[NH+]1CCCCC1 ZINC000830134151 660637250 /nfs/dbraw/zinc/63/72/50/660637250.db2.gz HWCVVIKQDXJTOF-LBPRGKRZSA-N 1 0 393.322 2.882 20 0 GFADRO Cc1cc([C@@H]([NH3+])CC(=O)Nc2cc(Br)c(=O)n(C)c2)cc(Cl)n1 ZINC000831196417 660703249 /nfs/dbraw/zinc/70/32/49/660703249.db2.gz BQMXSHATOIIQGP-LBPRGKRZSA-N 1 0 399.676 2.533 20 0 GFADRO CS[C@H]1CN(C(=O)c2cnn(C(C)(C)C)c2Br)C[C@@H]1[NH+](C)C ZINC000831299701 660707822 /nfs/dbraw/zinc/70/78/22/660707822.db2.gz LPKMSKPKJXRZJK-RYUDHWBXSA-N 1 0 389.363 2.518 20 0 GFADRO COC(=O)C1=C(C)O[C@H](C[N@H+](C)C[C@H](O)c2ccccc2Br)C1 ZINC000832680847 660794961 /nfs/dbraw/zinc/79/49/61/660794961.db2.gz XOLZHIMTHUMVKN-LRDDRELGSA-N 1 0 384.270 2.650 20 0 GFADRO C[C@H]([NH3+])[C@H]1CN(C(=O)c2ccc(-c3ccccc3Br)n2C)CCO1 ZINC000834317456 660814275 /nfs/dbraw/zinc/81/42/75/660814275.db2.gz VGGZHHMFOPLVHN-YVEFUNNKSA-N 1 0 392.297 2.643 20 0 GFADRO CNC(=O)c1ccc(C[NH2+]C[C@@](C)(O)c2ccc(Br)cc2F)cc1 ZINC000834358749 660816132 /nfs/dbraw/zinc/81/61/32/660816132.db2.gz YBZUTMXNWSPXKD-GOSISDBHSA-N 1 0 395.272 2.945 20 0 GFADRO CCOC(=O)[C@@H](F)C1C[NH+](CCC(=O)Nc2ccc(Br)cc2)C1 ZINC000834377866 660817431 /nfs/dbraw/zinc/81/74/31/660817431.db2.gz JJBDAKOTBZSLBE-HNNXBMFYSA-N 1 0 387.249 2.611 20 0 GFADRO COc1cc(C(=O)N2CCC3(C2)CC[NH2+]CC3)cc(Br)c1OC ZINC000834438977 660820077 /nfs/dbraw/zinc/82/00/77/660820077.db2.gz PWYNBVQCSBGIBO-UHFFFAOYSA-N 1 0 383.286 2.682 20 0 GFADRO C[C@@H](CC[NH3+])NC(=O)c1cnn(-c2ncccc2Cl)c1C(F)(F)Cl ZINC000834453932 660821044 /nfs/dbraw/zinc/82/10/44/660821044.db2.gz YCULUQDJOYSHQL-QMMMGPOBSA-N 1 0 378.210 2.676 20 0 GFADRO O=C(NCC12CCC[NH+]1CCC2)c1cc(=O)c2cc(Br)ccc2o1 ZINC000834755896 660832121 /nfs/dbraw/zinc/83/21/21/660832121.db2.gz YJFXTSPUBLUYJM-UHFFFAOYSA-N 1 0 391.265 2.914 20 0 GFADRO CC(C)S(=O)(=O)CC[NH2+][C@H](C)c1ccc(F)c(I)c1 ZINC000834803024 660833503 /nfs/dbraw/zinc/83/35/03/660833503.db2.gz IMBGRKPFQXFNMD-SNVBAGLBSA-N 1 0 399.269 2.904 20 0 GFADRO [NH3+]C[C@@]12CC[C@@H]1CCN2S(=O)(=O)c1cc(Br)sc1Cl ZINC000903588079 663790639 /nfs/dbraw/zinc/79/06/39/663790639.db2.gz DLPLGACCHSHPAB-HQJQHLMTSA-N 1 0 385.736 2.666 20 0 GFADRO C[NH+](C)CCc1ccccc1NC(=O)C(=O)NCC[C@]1(C)CC1(Cl)Cl ZINC000835850539 660879663 /nfs/dbraw/zinc/87/96/63/660879663.db2.gz DBMBLUSYTLQVSK-QGZVFWFLSA-N 1 0 386.323 2.819 20 0 GFADRO CCC[NH+]1CCC(NC(=O)NC[C@H](O)c2ccccc2Br)CC1 ZINC000836198832 660894891 /nfs/dbraw/zinc/89/48/91/660894891.db2.gz IQLQZOMOJYBBTB-INIZCTEOSA-N 1 0 384.318 2.656 20 0 GFADRO CC[NH+]1CCC(CCNC(=O)NC[C@@H](O)c2ccccc2Br)CC1 ZINC000836350611 660901175 /nfs/dbraw/zinc/90/11/75/660901175.db2.gz PTEKUDKLDFNCPK-QGZVFWFLSA-N 1 0 398.345 2.904 20 0 GFADRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)NC[C@@H](O)c2ccccc2Br)C1 ZINC000836359709 660901728 /nfs/dbraw/zinc/90/17/28/660901728.db2.gz YSAPGNKUYVLGAC-RHSMWYFYSA-N 1 0 398.345 2.760 20 0 GFADRO O=C(NC[C@@H](O)c1ccccc1Br)NC1CC[NH+](C2CCC2)CC1 ZINC000836646525 660924029 /nfs/dbraw/zinc/92/40/29/660924029.db2.gz WDLKANLNOBGPCS-QGZVFWFLSA-N 1 0 396.329 2.799 20 0 GFADRO CC[C@H](C)[NH+]1CCN(C(=O)c2cn(-c3ccccc3Br)nn2)CC1 ZINC000837006315 660964506 /nfs/dbraw/zinc/96/45/06/660964506.db2.gz DFNMFFLOGLLSEM-ZDUSSCGKSA-N 1 0 392.301 2.586 20 0 GFADRO C[C@@H]([NH2+][C@H](C)c1ccc(Br)cc1)C(=O)NC(=O)NCC(F)(F)F ZINC000025237893 654547555 /nfs/dbraw/zinc/54/75/55/654547555.db2.gz FMVWPRSXZQJMAA-RKDXNWHRSA-N 1 0 396.207 2.876 20 0 GFADRO C[C@@H]1C[NH+](CCCNC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)C[C@@H](C)O1 ZINC000041275507 654625334 /nfs/dbraw/zinc/62/53/34/654625334.db2.gz JIPYIEDTMNPYNG-VXGBXAGGSA-N 1 0 388.295 2.547 20 0 GFADRO C[C@H](CNC(=O)C(=O)Nc1ccc(Br)cc1Cl)[NH+]1CCCC1 ZINC000041598276 654627842 /nfs/dbraw/zinc/62/78/42/654627842.db2.gz ZFNINHDUNDMLKO-SNVBAGLBSA-N 1 0 388.693 2.642 20 0 GFADRO C[C@@H](CNC(=O)C(=O)Nc1ccc(Br)cc1)[N@@H+]1CCCC[C@@H]1C ZINC000041644002 654628620 /nfs/dbraw/zinc/62/86/20/654628620.db2.gz KRMOUZNLEDSDQI-STQMWFEESA-N 1 0 382.302 2.767 20 0 GFADRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)C(=O)Nc2cccc(Br)c2)C1 ZINC000041728961 654630275 /nfs/dbraw/zinc/63/02/75/654630275.db2.gz FGILSSRJKIZRKR-ZIAGYGMSSA-N 1 0 396.329 2.872 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CNC(=S)NCC(=O)Nc1cc(Cl)ccc1Cl ZINC000043563387 654650001 /nfs/dbraw/zinc/65/00/01/654650001.db2.gz KZMKQUNXLZVADZ-LBPRGKRZSA-N 1 0 389.352 2.880 20 0 GFADRO CCn1c(SCC(=O)NC[C@@H]2CCC[N@@H+]2CC)nnc1-c1cccs1 ZINC000044571954 654659960 /nfs/dbraw/zinc/65/99/60/654659960.db2.gz XJOGCIJJGUFGAB-ZDUSSCGKSA-N 1 0 379.555 2.719 20 0 GFADRO C[C@@H](NC(=O)c1ccc(Br)cc1)C(=O)NCC[N@@H+]1CCCC[C@@H]1C ZINC000046858481 654686793 /nfs/dbraw/zinc/68/67/93/654686793.db2.gz CEHGJKXGODPWQQ-UONOGXRCSA-N 1 0 396.329 2.558 20 0 GFADRO C[NH+](C)CCNC(=S)NNC(=O)c1cc2c(s1)CC[C@@H](C(C)(C)C)C2 ZINC000048416488 654706544 /nfs/dbraw/zinc/70/65/44/654706544.db2.gz DDBGGQVWBFUPSV-CYBMUJFWSA-N 1 0 382.599 2.570 20 0 GFADRO C[NH+](C)C1(CNC(=O)C(=O)Nc2ccc(Br)cc2)CCCCC1 ZINC000048721636 654711826 /nfs/dbraw/zinc/71/18/26/654711826.db2.gz HCVXQGIJMQREJT-UHFFFAOYSA-N 1 0 382.302 2.768 20 0 GFADRO O=C(c1c(Br)nc2n1CCCC2)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000837403491 660993811 /nfs/dbraw/zinc/99/38/11/660993811.db2.gz DKZNLTWRZXSNAU-ZDUSSCGKSA-N 1 0 381.318 2.682 20 0 GFADRO CC(C)c1cc(Br)ccc1NC(=O)C(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000121990257 654727308 /nfs/dbraw/zinc/72/73/08/654727308.db2.gz KYMPGFOJHYDUNQ-GFCCVEGCSA-N 1 0 382.302 2.579 20 0 GFADRO C[N@@H+]1CCC[C@H]2CN(S(=O)(=O)c3ccc(F)cc3C(F)(F)F)CC[C@@H]21 ZINC000122355204 654735515 /nfs/dbraw/zinc/73/55/15/654735515.db2.gz CQCCYJWAQMREMT-FZMZJTMJSA-N 1 0 380.407 2.949 20 0 GFADRO Cc1sc(Br)cc1S(=O)(=O)N(C)CC1CC[NH+](C)CC1 ZINC000122446913 654737278 /nfs/dbraw/zinc/73/72/78/654737278.db2.gz WOGDQHFYFTXEHF-UHFFFAOYSA-N 1 0 381.361 2.781 20 0 GFADRO C[NH+](C)Cc1ccnc(NC(=O)c2c(Br)nc3n2CCCC3)c1 ZINC000837454742 660998939 /nfs/dbraw/zinc/99/89/39/660998939.db2.gz OVNVLEVGTMJIOA-UHFFFAOYSA-N 1 0 378.274 2.691 20 0 GFADRO O=C(NC1CC[NH+](Cc2ccccn2)CC1)c1cc(Br)ccc1O ZINC000053990289 654754705 /nfs/dbraw/zinc/75/47/05/654754705.db2.gz PVCGZOJZRKONJY-UHFFFAOYSA-N 1 0 390.281 2.944 20 0 GFADRO COCC[N@@H+]1CCCN(C(=O)c2ccc(Br)c(Cl)c2)CC1 ZINC000123486733 654757586 /nfs/dbraw/zinc/75/75/86/654757586.db2.gz WIBHUJYZYHOHKP-UHFFFAOYSA-N 1 0 375.694 2.897 20 0 GFADRO C[NH+]1CCN(c2ccc(NC(=O)c3ccncc3Br)cc2)CC1 ZINC000123794261 654763762 /nfs/dbraw/zinc/76/37/62/654763762.db2.gz IVYZWGNAFAFSTM-UHFFFAOYSA-N 1 0 375.270 2.848 20 0 GFADRO CC[C@H]([NH2+][C@H](C)C(=O)N(CC)[C@@H]1CCS(=O)(=O)C1)c1ccc(Cl)cc1 ZINC000123817319 654764640 /nfs/dbraw/zinc/76/46/40/654764640.db2.gz DNBNIHBQYSBJHV-XYPHTWIQSA-N 1 0 386.945 2.805 20 0 GFADRO C[C@@H]1C[C@H](NS(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)C[N@@H+]1C1CC1 ZINC000123978979 654767533 /nfs/dbraw/zinc/76/75/33/654767533.db2.gz HDMABZGGGPGJNJ-ZJUUUORDSA-N 1 0 380.844 2.845 20 0 GFADRO C[C@@H]1CCC[N@H+](CCNC(=O)N(C)C[C@@H](O)c2ccccc2Br)C1 ZINC000837518909 661003064 /nfs/dbraw/zinc/00/30/64/661003064.db2.gz GUEKFVDIPZODKF-RHSMWYFYSA-N 1 0 398.345 2.856 20 0 GFADRO C[NH+](C)CCOc1cc(CNC(=O)Cc2cccc(Br)c2)ccn1 ZINC000124014970 654768805 /nfs/dbraw/zinc/76/88/05/654768805.db2.gz IXTOGHBMXHCXOK-UHFFFAOYSA-N 1 0 392.297 2.643 20 0 GFADRO CCC[N@H+](C)C[C@H]1CCN(Cn2nc(Br)c(=O)c3ccccc32)C1 ZINC000124235869 654772402 /nfs/dbraw/zinc/77/24/02/654772402.db2.gz WZZQTDKHXKSTGZ-CQSZACIVSA-N 1 0 393.329 2.780 20 0 GFADRO COc1cc(C)c(Br)cc1S(=O)(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000124549624 654778407 /nfs/dbraw/zinc/77/84/07/654778407.db2.gz YSTBQUSOZICVJO-AAEUAGOBSA-N 1 0 391.331 2.562 20 0 GFADRO CC(C)(C)C[C@@H]1CCC[N@@H+]1CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl ZINC000124784468 654781206 /nfs/dbraw/zinc/78/12/06/654781206.db2.gz IWEMYEWOHGRASG-LBPRGKRZSA-N 1 0 387.933 2.827 20 0 GFADRO CN(C[C@H](O)c1ccccc1Br)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000837594913 661006935 /nfs/dbraw/zinc/00/69/35/661006935.db2.gz ASKJYBSHZCZCNQ-ZQIUZPCESA-N 1 0 396.329 2.751 20 0 GFADRO COCCOC1CC[NH+](CCC(=O)Nc2cccc(Br)c2)CC1 ZINC000125040215 654787261 /nfs/dbraw/zinc/78/72/61/654787261.db2.gz PSAYJEDNCPAZNP-UHFFFAOYSA-N 1 0 385.302 2.905 20 0 GFADRO C[N@@H+](Cc1cccc(C(N)=O)c1)C[C@H](O)COc1c(Cl)cccc1Cl ZINC000056514693 654796472 /nfs/dbraw/zinc/79/64/72/654796472.db2.gz AYTOCXCNOQVEPV-AWEZNQCLSA-N 1 0 383.275 2.964 20 0 GFADRO CN1CC[NH+](CC2CCN(C(=O)c3cc(F)ccc3Br)CC2)CC1 ZINC000057066546 654799224 /nfs/dbraw/zinc/79/92/24/654799224.db2.gz HVALUFXMXBQIDH-UHFFFAOYSA-N 1 0 398.320 2.688 20 0 GFADRO CC[NH+](CC)[C@H](C)CNC(=O)NCCC(=O)Nc1ccc(Br)cc1 ZINC000057198003 654802887 /nfs/dbraw/zinc/80/28/87/654802887.db2.gz KQWBYCBLRLVVKY-CYBMUJFWSA-N 1 0 399.333 2.807 20 0 GFADRO COc1cc(S(=O)(=O)N[C@H](C)C(C)(C)C[NH+](C)C)ccc1Br ZINC000126012167 654806418 /nfs/dbraw/zinc/80/64/18/654806418.db2.gz VJJDUJILQITAGQ-LLVKDONJSA-N 1 0 393.347 2.712 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CNC(=S)NNC(=O)c1c(Cl)cccc1Cl ZINC000057970650 654813329 /nfs/dbraw/zinc/81/33/29/654813329.db2.gz QOIVWADOBXFHHY-SNVBAGLBSA-N 1 0 375.325 2.587 20 0 GFADRO Cc1ccc(Br)cc1S(=O)(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000058118433 654815603 /nfs/dbraw/zinc/81/56/03/654815603.db2.gz DBKQTBMUFZAUMA-GFCCVEGCSA-N 1 0 375.332 2.768 20 0 GFADRO C[NH+](C)C[C@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1Cl ZINC000061655706 654841377 /nfs/dbraw/zinc/84/13/77/654841377.db2.gz BALKQLPZPIRJSU-LLVKDONJSA-N 1 0 381.723 2.817 20 0 GFADRO CN(CC[NH+]1CCCC1)S(=O)(=O)c1ccc(Br)cc1Cl ZINC000063054853 654848574 /nfs/dbraw/zinc/84/85/74/654848574.db2.gz ORHFTHAAAOHOKS-UHFFFAOYSA-N 1 0 381.723 2.819 20 0 GFADRO Cc1ccc(Br)c(NC(=O)C(=O)NC[C@H](C)C[NH+]2CCCC2)c1 ZINC000128682281 654850806 /nfs/dbraw/zinc/85/08/06/654850806.db2.gz FQULWQJQCVKAFE-ZDUSSCGKSA-N 1 0 382.302 2.544 20 0 GFADRO CC(C)n1cc(S(=O)(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)cn1 ZINC000266119159 654858212 /nfs/dbraw/zinc/85/82/12/654858212.db2.gz CZKGKILHGSHOOK-HNNXBMFYSA-N 1 0 382.555 2.716 20 0 GFADRO C[C@@H]([NH2+]C[C@@H]1CCCN(S(C)(=O)=O)C1)c1ccc(Br)cc1 ZINC000129220803 654860998 /nfs/dbraw/zinc/86/09/98/654860998.db2.gz QWMIQKLWIYAMNB-OLZOCXBDSA-N 1 0 375.332 2.771 20 0 GFADRO COCCn1cc(C[NH2+][C@H]2CCN(c3ccc(Br)cc3)C2)cn1 ZINC000266193887 654862022 /nfs/dbraw/zinc/86/20/22/654862022.db2.gz JLQRHWMVXOBXAQ-INIZCTEOSA-N 1 0 379.302 2.661 20 0 GFADRO Cc1cc(Br)c(S(=O)(=O)N2CC[C@H](C[NH+]3CCCC3)C2)s1 ZINC000266199639 654862687 /nfs/dbraw/zinc/86/26/87/654862687.db2.gz OGUCSSWEFWVEPD-GFCCVEGCSA-N 1 0 393.372 2.925 20 0 GFADRO O=C(NCc1cccs1)C(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000064268862 654865150 /nfs/dbraw/zinc/86/51/50/654865150.db2.gz PSMNJEAEFYQZEX-UHFFFAOYSA-N 1 0 375.519 2.552 20 0 GFADRO OC1CC[NH+](Cc2ccccc2CNc2ncc(Br)cn2)CC1 ZINC000266249135 654865949 /nfs/dbraw/zinc/86/59/49/654865949.db2.gz MRDAJALGCDOLNV-UHFFFAOYSA-N 1 0 377.286 2.808 20 0 GFADRO C[NH+]1CCC(NC(=O)[C@@H](c2ccc(Cl)cc2Cl)N2CCOCC2)CC1 ZINC000266546821 654884569 /nfs/dbraw/zinc/88/45/69/654884569.db2.gz HOWJCHPDSOIBHZ-QGZVFWFLSA-N 1 0 386.323 2.577 20 0 GFADRO C[NH+](C)C1(CNC(=O)C(=O)Nc2ccc(F)c(Br)c2)CCCC1 ZINC000266583907 654886035 /nfs/dbraw/zinc/88/60/35/654886035.db2.gz SCIGZEFVXVWMNM-UHFFFAOYSA-N 1 0 386.265 2.517 20 0 GFADRO COc1cc(C(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)sc1Br ZINC000130256566 654886225 /nfs/dbraw/zinc/88/62/25/654886225.db2.gz AQJYKLDVNUFTDQ-LLVKDONJSA-N 1 0 391.331 2.702 20 0 GFADRO CC[N@H+](CCNC(=O)N(C)C[C@H](O)c1ccccc1Br)C1CC1 ZINC000838175873 661031953 /nfs/dbraw/zinc/03/19/53/661031953.db2.gz WESLUHXZQYTMCF-INIZCTEOSA-N 1 0 384.318 2.608 20 0 GFADRO Brc1ccc(OCc2ccccn2)c(C[NH2+]CCn2cncn2)c1 ZINC000065934245 654890661 /nfs/dbraw/zinc/89/06/61/654890661.db2.gz FQRNUKNAAGCHJO-UHFFFAOYSA-N 1 0 388.269 2.804 20 0 GFADRO CN(C)S(=O)(=O)N(CC[NH+]1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC000065972950 654891893 /nfs/dbraw/zinc/89/18/93/654891893.db2.gz WLFCVOOYIWLXNJ-UHFFFAOYSA-N 1 0 380.341 2.698 20 0 GFADRO O=S(=O)(c1ccc(OC(F)F)c(Cl)c1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000066105876 654894823 /nfs/dbraw/zinc/89/48/23/654894823.db2.gz PVMNXVYUDWSGNX-NSHDSACASA-N 1 0 380.844 2.800 20 0 GFADRO C[C@H](Oc1cccc(Br)c1)C(=O)NCCCC[N@@H+]1CCC[C@@H]1CO ZINC000131344963 654902828 /nfs/dbraw/zinc/90/28/28/654902828.db2.gz DUSFNKPELYHSER-GOEBONIOSA-N 1 0 399.329 2.570 20 0 GFADRO O=C(COc1ccc(Cl)c(Cl)c1)NCCCC[N@H+]1CCC[C@@H]1CO ZINC000131406283 654905436 /nfs/dbraw/zinc/90/54/36/654905436.db2.gz IVPGZMGRHKMOGD-CYBMUJFWSA-N 1 0 375.296 2.725 20 0 GFADRO CC[NH+](CC)C[C@H]1CCN(S(=O)(=O)c2ccc(NC(C)=O)c(Cl)c2)C1 ZINC000267187481 654915941 /nfs/dbraw/zinc/91/59/41/654915941.db2.gz KWTPCMHXOIJNAA-CQSZACIVSA-N 1 0 387.933 2.651 20 0 GFADRO [NH3+]C1CCC(NC(=O)c2cc(Cl)ccc2I)CC1 ZINC000131757737 654916846 /nfs/dbraw/zinc/91/68/46/654916846.db2.gz SAFIXDPKOVPNMK-UHFFFAOYSA-N 1 0 378.641 2.944 20 0 GFADRO CN(Cc1nc(C(F)(F)F)cs1)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000267207797 654917565 /nfs/dbraw/zinc/91/75/65/654917565.db2.gz ROFSKLOQZUQTJQ-ZDUSSCGKSA-N 1 0 382.477 2.741 20 0 GFADRO Cc1ccc(Cl)c(S(=O)(=O)NCCN2CCC([NH+](C)C)CC2)c1Cl ZINC000267232379 654919177 /nfs/dbraw/zinc/91/91/77/654919177.db2.gz WBEYKKBKVRONQM-UHFFFAOYSA-N 1 0 394.368 2.606 20 0 GFADRO C[NH+](C)C[C@@H]1CCCCN1C(=O)c1ccc(F)cc1I ZINC000066947016 654923198 /nfs/dbraw/zinc/92/31/98/654923198.db2.gz PXYKIVZPKAQUFZ-LBPRGKRZSA-N 1 0 390.240 2.987 20 0 GFADRO C[NH+](C)C[C@@H]1CCCCN1C(=O)/C=C/c1ccc(I)o1 ZINC000066948458 654923337 /nfs/dbraw/zinc/92/33/37/654923337.db2.gz READDLZTQYIILO-CRALRDPISA-N 1 0 388.249 2.840 20 0 GFADRO C[N@@H+](Cc1cc(Br)ccc1F)C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000267406288 654927167 /nfs/dbraw/zinc/92/71/67/654927167.db2.gz XPLGIKBCKJZVOU-GFCCVEGCSA-N 1 0 393.322 2.692 20 0 GFADRO COC(=O)CNC(=O)CC[N@H+](Cc1ccccc1Br)C(C)(C)C ZINC000132667051 654945152 /nfs/dbraw/zinc/94/51/52/654945152.db2.gz STCGGRIKISDTFH-UHFFFAOYSA-N 1 0 385.302 2.729 20 0 GFADRO C[NH+]1CCN(C[C@H](NC(=O)c2coc(Br)c2)c2ccccc2)CC1 ZINC000068024143 654951560 /nfs/dbraw/zinc/95/15/60/654951560.db2.gz RRKZZYFKGSXAEN-INIZCTEOSA-N 1 0 392.297 2.761 20 0 GFADRO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)N[C@H](C)CC[NH+](C)C ZINC000268031185 654956729 /nfs/dbraw/zinc/95/67/29/654956729.db2.gz GMRKLWMIJFWYMS-SNVBAGLBSA-N 1 0 381.270 2.934 20 0 GFADRO Cc1cc(Br)ccc1S(=O)(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000133374193 654962449 /nfs/dbraw/zinc/96/24/49/654962449.db2.gz NCUFRAMVYWCVST-CQSZACIVSA-N 1 0 387.343 2.864 20 0 GFADRO O=C(c1cncc(I)c1)N1CC[NH+](C2CCCCC2)CC1 ZINC000133417238 654963748 /nfs/dbraw/zinc/96/37/48/654963748.db2.gz WTNDCPILOZKGLK-UHFFFAOYSA-N 1 0 399.276 2.777 20 0 GFADRO CC[NH+]1CCN([C@H]2CCN(C(=O)c3cc(C)sc3Br)C2)CC1 ZINC000268425137 654970704 /nfs/dbraw/zinc/97/07/04/654970704.db2.gz YNIMGYDCRFAONX-ZDUSSCGKSA-N 1 0 386.359 2.671 20 0 GFADRO CCNS(=O)(=O)CC[NH2+]Cc1cccc(OCc2ccccc2Cl)c1 ZINC000068980705 654970748 /nfs/dbraw/zinc/97/07/48/654970748.db2.gz GUXHJXIOIXSIDM-UHFFFAOYSA-N 1 0 382.913 2.948 20 0 GFADRO COc1ccc(Br)c(C(=O)NCCC[NH2+]Cc2ccccn2)c1 ZINC000068981856 654971023 /nfs/dbraw/zinc/97/10/23/654971023.db2.gz DJWMHWROLKJRGN-UHFFFAOYSA-N 1 0 378.270 2.762 20 0 GFADRO O=C(CN1CCC(C[NH+]2CCOCC2)CC1)Nc1c(Cl)cccc1Cl ZINC000069029894 654971348 /nfs/dbraw/zinc/97/13/48/654971348.db2.gz IRRDQWOENIOEPL-UHFFFAOYSA-N 1 0 386.323 2.976 20 0 GFADRO CO[C@@H](CNC(=O)NC[C@@H](c1ccc(SC)cc1)[NH+](C)C)C(F)(F)F ZINC000838472926 661047090 /nfs/dbraw/zinc/04/70/90/661047090.db2.gz XOIITSJNQJFIJA-KBPBESRZSA-N 1 0 379.448 2.888 20 0 GFADRO CC[C@](C)([NH2+]CC(=O)N1CCc2sccc2[C@@H]1c1cccs1)C(N)=O ZINC000133731868 654972425 /nfs/dbraw/zinc/97/24/25/654972425.db2.gz MXHDLJWBFBEEIP-AEFFLSMTSA-N 1 0 377.535 2.527 20 0 GFADRO CCN(CC)S(=O)(=O)c1cc(NC(=O)CC[NH2+]C(C)C)ccc1Cl ZINC000133834284 654974913 /nfs/dbraw/zinc/97/49/13/654974913.db2.gz VBFZFNLQNHDNRG-UHFFFAOYSA-N 1 0 375.922 2.697 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)C(=O)NCCC1CC[NH+](C)CC1 ZINC000268707733 654983653 /nfs/dbraw/zinc/98/36/53/654983653.db2.gz AJBOZTQTRVVBDP-UHFFFAOYSA-N 1 0 396.329 2.798 20 0 GFADRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(F)c(I)c1 ZINC000134140705 654984326 /nfs/dbraw/zinc/98/43/26/654984326.db2.gz IHWSSWVKHXOBJW-JTQLQIEISA-N 1 0 388.224 2.644 20 0 GFADRO C[C@H]([NH2+]CCCOC[C@@H]1CCCO1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000268738874 654985216 /nfs/dbraw/zinc/98/52/16/654985216.db2.gz OVSGVCGZLSCOTH-ZFWWWQNUSA-N 1 0 377.453 2.919 20 0 GFADRO C[C@H]([NH2+]CC1CCSCC1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000268846328 654989003 /nfs/dbraw/zinc/98/90/03/654989003.db2.gz BKXRPEJWJSLOFY-HNNXBMFYSA-N 1 0 384.567 2.501 20 0 GFADRO C[C@@H]([NH2+][C@H]1CCOc2c(Br)cccc21)C(=O)NCC(F)(F)F ZINC000268873113 654989722 /nfs/dbraw/zinc/98/97/22/654989722.db2.gz YIMLDWKNEROZJM-KCJUWKMLSA-N 1 0 381.192 2.929 20 0 GFADRO CC[C@@H](Cc1ccccc1Br)C(=O)N[C@@H](C)CN1CC[NH+](C)CC1 ZINC000134297507 654989816 /nfs/dbraw/zinc/98/98/16/654989816.db2.gz BVTCXQLWPMPKLM-HOTGVXAUSA-N 1 0 396.373 2.770 20 0 GFADRO COCCC[C@@H]([NH2+]C[C@H]1CN(C)CCN1C)c1ccc(Br)cc1 ZINC000268906644 654990602 /nfs/dbraw/zinc/99/06/02/654990602.db2.gz MACYHHOKMWWKGC-ZWKOTPCHSA-N 1 0 384.362 2.752 20 0 GFADRO COCCC[C@H]([NH2+]C[C@H]1CN(C)CCN1C)c1ccc(Br)cc1 ZINC000268906642 654990627 /nfs/dbraw/zinc/99/06/27/654990627.db2.gz MACYHHOKMWWKGC-ROUUACIJSA-N 1 0 384.362 2.752 20 0 GFADRO O=C(Nc1ccccc1Br)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000269112916 654998248 /nfs/dbraw/zinc/99/82/48/654998248.db2.gz BHYBYEKDNIWSAI-HZPDHXFCSA-N 1 0 382.302 2.948 20 0 GFADRO Cc1c(C(=O)N2CC[C@@H]([NH3+])[C@@H](C)C2)cnn1-c1ccc(Br)cc1 ZINC000269218546 655001939 /nfs/dbraw/zinc/00/19/39/655001939.db2.gz QJMYZOSARRTJKI-MEDUHNTESA-N 1 0 377.286 2.753 20 0 GFADRO C[C@H](NC(=O)c1ccc(I)c(F)c1)[C@H]1CCC[NH2+]C1 ZINC000269225546 655002045 /nfs/dbraw/zinc/00/20/45/655002045.db2.gz UNOQEBONCDSQNM-ONGXEEELSA-N 1 0 376.213 2.548 20 0 GFADRO C[C@H](Oc1ccccc1Br)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000072246773 655003836 /nfs/dbraw/zinc/00/38/36/655003836.db2.gz KSHKXDCJMJURRR-LBPRGKRZSA-N 1 0 381.274 2.613 20 0 GFADRO C[C@@H](Oc1cccc(Br)c1)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000072246772 655003948 /nfs/dbraw/zinc/00/39/48/655003948.db2.gz PVQPZEDHXYRSPP-GFCCVEGCSA-N 1 0 381.274 2.613 20 0 GFADRO C[C@@H]1CN(C(=O)CCC[S@](=O)c2ccc(Br)cc2)CC[C@@H]1[NH3+] ZINC000269285049 655004084 /nfs/dbraw/zinc/00/40/84/655004084.db2.gz RVYWAPDDEHWZHA-PVSQZPHNSA-N 1 0 387.343 2.533 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)NCCOc2ncc(Cl)cc2Cl)C1 ZINC000134877096 655004783 /nfs/dbraw/zinc/00/47/83/655004783.db2.gz SPWNFKWMJCSSCH-QWHCGFSZSA-N 1 0 375.300 2.939 20 0 GFADRO C[NH+](C)C1CN(C(=O)c2cnn(-c3ncccc3Cl)c2C(F)(F)Cl)C1 ZINC000135022466 655007703 /nfs/dbraw/zinc/00/77/03/655007703.db2.gz QPYXLJBBSCGHPC-UHFFFAOYSA-N 1 0 390.221 2.595 20 0 GFADRO [NH3+]C[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc(Br)cc1Cl ZINC000091323977 655008564 /nfs/dbraw/zinc/00/85/64/655008564.db2.gz CQDMOFWJAYPKOY-CABZTGNLSA-N 1 0 381.723 2.898 20 0 GFADRO C[NH+](C)CCOc1ccccc1CNC(=O)c1cccnc1Br ZINC000135100696 655009795 /nfs/dbraw/zinc/00/97/95/655009795.db2.gz KWUKHQMCVBATKO-UHFFFAOYSA-N 1 0 378.270 2.715 20 0 GFADRO Cc1ccc(NC(=O)NCC2([NH+]3CCCC3)CCOCC2)c(Br)n1 ZINC000269485916 655010931 /nfs/dbraw/zinc/01/09/31/655010931.db2.gz KWPHYQJJNFYEJX-UHFFFAOYSA-N 1 0 397.317 2.919 20 0 GFADRO C[NH+](C)CCOc1cc(CNC(=O)c2cc(Cl)c(N)c(Cl)c2)ccn1 ZINC000135211517 655011500 /nfs/dbraw/zinc/01/15/00/655011500.db2.gz DGFILHNWIDIIRD-UHFFFAOYSA-N 1 0 383.279 2.841 20 0 GFADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CSCc2csc(C3CC3)n2)C1 ZINC000135390718 655015319 /nfs/dbraw/zinc/01/53/19/655015319.db2.gz QUZLMUCATRCTQP-MRXNPFEDSA-N 1 0 383.583 2.727 20 0 GFADRO CC[NH+]1CCN([C@H]2CCN(Cc3cc(OC)ccc3Br)C2)CC1 ZINC000093132917 655017665 /nfs/dbraw/zinc/01/76/65/655017665.db2.gz WLLKDXYAPXJABM-INIZCTEOSA-N 1 0 382.346 2.670 20 0 GFADRO OCC[N@H+](CCOCC(F)(F)F)C[C@@H](O)c1ccc(Cl)cc1Cl ZINC000135519944 655018872 /nfs/dbraw/zinc/01/88/72/655018872.db2.gz GNDRZMSFCUTNTK-CYBMUJFWSA-N 1 0 376.202 2.900 20 0 GFADRO CC(C)[NH+]1CCC(O)(CNS(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000269768383 655021043 /nfs/dbraw/zinc/02/10/43/655021043.db2.gz FCMXKJJICPOGBO-UHFFFAOYSA-N 1 0 381.325 2.507 20 0 GFADRO CCOCCOc1ccc(Br)cc1C[N@H+](C)C[C@H](C)C(=O)NC ZINC000093899460 655021806 /nfs/dbraw/zinc/02/18/06/655021806.db2.gz PQMIRTAYBVRNHT-ZDUSSCGKSA-N 1 0 387.318 2.678 20 0 GFADRO CN(CC(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1)CC(C)(CO)CO ZINC000135948995 655025723 /nfs/dbraw/zinc/02/57/23/655025723.db2.gz TWPGSDUFJPIPBE-MRXNPFEDSA-N 1 0 389.323 2.580 20 0 GFADRO O=C(NC1CC[NH+](Cc2ccccn2)CC1)c1cccc(Br)n1 ZINC000136490145 655032188 /nfs/dbraw/zinc/03/21/88/655032188.db2.gz DYJFDPGYVGKWEZ-UHFFFAOYSA-N 1 0 375.270 2.634 20 0 GFADRO C[NH+](C)CCn1cc(NC(=O)COc2ccc(Cl)cc2Cl)ccc1=O ZINC000270057655 655032764 /nfs/dbraw/zinc/03/27/64/655032764.db2.gz DMDWCTJJBMKPSK-UHFFFAOYSA-N 1 0 384.263 2.734 20 0 GFADRO CCC[N@@H+]1CC[C@@H](CNC(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)C1 ZINC000097257746 655033862 /nfs/dbraw/zinc/03/38/62/655033862.db2.gz DOBZBPAMIGKEHD-LBPRGKRZSA-N 1 0 375.441 2.536 20 0 GFADRO CC[NH+](CC)[C@@H]1CCN(C(=O)c2ccc(Br)cc2-n2cncn2)C1 ZINC000136703716 655034636 /nfs/dbraw/zinc/03/46/36/655034636.db2.gz ZGZPFKUZSWZEQO-CQSZACIVSA-N 1 0 392.301 2.586 20 0 GFADRO COc1cc(Br)ccc1C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000136961057 655037041 /nfs/dbraw/zinc/03/70/41/655037041.db2.gz LKBPPOBGBAKUQA-ZDUSSCGKSA-N 1 0 397.313 2.688 20 0 GFADRO C[NH+]1CCC([C@@H]2CCN(C(=O)C(=O)Nc3ccccc3Br)C2)CC1 ZINC000270278889 655039866 /nfs/dbraw/zinc/03/98/66/655039866.db2.gz WFGHORPZFJZKKY-CQSZACIVSA-N 1 0 394.313 2.578 20 0 GFADRO O=C(Cc1ccccc1I)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000137503465 655040544 /nfs/dbraw/zinc/04/05/44/655040544.db2.gz VXXNDSISANPPMW-CQSZACIVSA-N 1 0 384.261 2.530 20 0 GFADRO CCc1nc(C[NH2+]C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cs1 ZINC000098162975 655041232 /nfs/dbraw/zinc/04/12/32/655041232.db2.gz OQPBODBRUKVGPC-UHFFFAOYSA-N 1 0 379.551 2.957 20 0 GFADRO C[NH+]1CCC(CNC(=O)[C@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)CC1 ZINC000101522474 655042382 /nfs/dbraw/zinc/04/23/82/655042382.db2.gz HHJDOLAHFDUNBL-CQSZACIVSA-N 1 0 384.307 2.804 20 0 GFADRO CC(=O)N[C@@H]1CCCN(C(=O)C[NH2+]C(C)(C)c2ccc(Cl)c(Cl)c2)C1 ZINC000101549830 655043228 /nfs/dbraw/zinc/04/32/28/655043228.db2.gz VSRYUCHJTPTACF-CQSZACIVSA-N 1 0 386.323 2.945 20 0 GFADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)Cc1cc(Cl)ccc1Cl ZINC000101696786 655046433 /nfs/dbraw/zinc/04/64/33/655046433.db2.gz HIBMYRCHXZRRQJ-INIZCTEOSA-N 1 0 386.323 2.595 20 0 GFADRO CC(=O)N(C)C1CC[NH+](CCC(=O)Nc2ccc(Br)cc2)CC1 ZINC000101727530 655046491 /nfs/dbraw/zinc/04/64/91/655046491.db2.gz IVDKDENJVZAWBL-UHFFFAOYSA-N 1 0 382.302 2.720 20 0 GFADRO CC(C)(C[NH2+]CC1=Cc2cc(Br)ccc2OC1)N1CCOCC1 ZINC000102419753 655055151 /nfs/dbraw/zinc/05/51/51/655055151.db2.gz BAZXPRNNAOQNKD-UHFFFAOYSA-N 1 0 381.314 2.925 20 0 GFADRO CSCC[C@H](O)C(=O)N(CC[NH+](C)C)Cc1cccc(C(F)(F)F)c1 ZINC000270795215 655056059 /nfs/dbraw/zinc/05/60/59/655056059.db2.gz MQBAWQHVQLTTBJ-HNNXBMFYSA-N 1 0 378.460 2.710 20 0 GFADRO O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)c1ccc(Br)o1 ZINC000270837475 655057340 /nfs/dbraw/zinc/05/73/40/655057340.db2.gz JYCOHOGCUYNMKH-GJZGRUSLSA-N 1 0 393.281 2.655 20 0 GFADRO Cc1cc(Br)oc1C(=O)N1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000270837916 655057451 /nfs/dbraw/zinc/05/74/51/655057451.db2.gz DQEYGAQUDWKDAQ-UHFFFAOYSA-N 1 0 398.345 2.981 20 0 GFADRO Cc1cc(S(=O)(=O)N2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)c(C)s1 ZINC000102661242 655057648 /nfs/dbraw/zinc/05/76/48/655057648.db2.gz RGRZOVAIXXSGPA-ZIAGYGMSSA-N 1 0 386.583 2.875 20 0 GFADRO C[C@H]1C[NH+](CC2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)C[C@H](C)O1 ZINC000102661357 655057717 /nfs/dbraw/zinc/05/77/17/655057717.db2.gz KOEFXUYLHMCPQE-GJZGRUSLSA-N 1 0 386.945 2.850 20 0 GFADRO Cc1cc(S(=O)(=O)N2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)c(C)s1 ZINC000102661244 655057741 /nfs/dbraw/zinc/05/77/41/655057741.db2.gz RGRZOVAIXXSGPA-KBPBESRZSA-N 1 0 386.583 2.875 20 0 GFADRO CC(C)[NH+]1CCC(NC(=O)N[C@@H](CO)c2ccc(Br)cc2)CC1 ZINC000271034080 655064565 /nfs/dbraw/zinc/06/45/65/655064565.db2.gz PQNHSLKSJKVKJU-INIZCTEOSA-N 1 0 384.318 2.655 20 0 GFADRO Cc1cccc(NC(=[NH2+])NC[C@H](O)COc2ccccc2Br)c1 ZINC000153202293 655065131 /nfs/dbraw/zinc/06/51/31/655065131.db2.gz LRTWHRLIGWDRNS-AWEZNQCLSA-N 1 0 378.270 2.924 20 0 GFADRO CS[C@@H]1CN(C(=O)c2ccc(NC(=O)N(C)C)cc2Cl)C[C@H]1[NH+](C)C ZINC000271148059 655067913 /nfs/dbraw/zinc/06/79/13/655067913.db2.gz PXQZONMMAJLEIT-HUUCEWRRSA-N 1 0 384.933 2.551 20 0 GFADRO C[N@H+](C[C@@H](O)COCc1ccccc1)C[C@H](O)c1ccccc1Br ZINC000153568464 655068247 /nfs/dbraw/zinc/06/82/47/655068247.db2.gz MPNFKHOTYTWFOM-APWZRJJASA-N 1 0 394.309 2.992 20 0 GFADRO CNS(=O)(=O)C1CC[NH+](C[C@H](C)c2cccc(Br)c2)CC1 ZINC000271210066 655070714 /nfs/dbraw/zinc/07/07/14/655070714.db2.gz XVHDXKSPZQPSLL-LBPRGKRZSA-N 1 0 375.332 2.566 20 0 GFADRO C[N@@H+]1CC[C@@H](CNC(=O)c2cc(Cl)ccc2I)C1 ZINC000104187208 655079444 /nfs/dbraw/zinc/07/94/44/655079444.db2.gz BVJVWULLSXTOFH-VIFPVBQESA-N 1 0 378.641 2.626 20 0 GFADRO Cc1nc(Br)ccc1NC(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000271523195 655083815 /nfs/dbraw/zinc/08/38/15/655083815.db2.gz DBHHQWBZMCGGPJ-HUUCEWRRSA-N 1 0 397.317 2.652 20 0 GFADRO NC(=O)[C@@H](c1ccc(Br)cc1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000104694767 655084367 /nfs/dbraw/zinc/08/43/67/655084367.db2.gz NAEJGXJRMVQQKU-QGZVFWFLSA-N 1 0 380.330 2.783 20 0 GFADRO O=C(CC[NH+]1CCC(N2CCCC2=O)CC1)Nc1ccccc1Br ZINC000104727364 655084548 /nfs/dbraw/zinc/08/45/48/655084548.db2.gz VLWQUBBHYBXJSW-UHFFFAOYSA-N 1 0 394.313 2.865 20 0 GFADRO COc1cc[nH+]c(N2CCN(S(=O)(=O)c3ccc(C)c(Cl)c3)CC2)c1 ZINC000104749233 655085552 /nfs/dbraw/zinc/08/55/52/655085552.db2.gz HEENETLRVKISQK-UHFFFAOYSA-N 1 0 381.885 2.563 20 0 GFADRO COCCN(CC[NH+](C)C)C(=O)NCc1ccc(Br)cc1Cl ZINC000105197861 655089564 /nfs/dbraw/zinc/08/95/64/655089564.db2.gz RIFNUUWSTVWGBY-UHFFFAOYSA-N 1 0 392.725 2.822 20 0 GFADRO COCCN(CC[NH+](C)C)C(=O)N[C@@H]1CCc2c1cccc2Br ZINC000105240010 655089812 /nfs/dbraw/zinc/08/98/12/655089812.db2.gz RWDGYRWBWVHHSM-MRXNPFEDSA-N 1 0 384.318 2.656 20 0 GFADRO Cn1cnc2cc(C[NH2+]C[C@H](O)COc3ccccc3Br)ccc21 ZINC000271658953 655089821 /nfs/dbraw/zinc/08/98/21/655089821.db2.gz KPXWRIIQPDMEQV-AWEZNQCLSA-N 1 0 390.281 2.865 20 0 GFADRO [NH3+][C@H](Cc1ccccc1)C(=O)N1CCO[C@@H](c2ccccc2Br)C1 ZINC000156175175 655090093 /nfs/dbraw/zinc/09/00/93/655090093.db2.gz COVAQALMAUAIPS-QZTJIDSGSA-N 1 0 389.293 2.919 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)Nc2ccc(Br)cc2)CC1=O ZINC000105317433 655090527 /nfs/dbraw/zinc/09/05/27/655090527.db2.gz MADIHLMGNXCTRL-CJNGLKHVSA-N 1 0 394.313 2.720 20 0 GFADRO NC(=O)[C@H]([NH2+]CCc1ccc(-n2cccn2)cc1)c1ccc(Br)cc1 ZINC000105400706 655092294 /nfs/dbraw/zinc/09/22/94/655092294.db2.gz FGORNHRRDNYABF-GOSISDBHSA-N 1 0 399.292 2.994 20 0 GFADRO C[C@@H]([NH2+]CC(=O)Nc1ccc(Br)cn1)c1ccc([S@@](C)=O)cc1 ZINC000271817409 655095603 /nfs/dbraw/zinc/09/56/03/655095603.db2.gz OHRYJTNIVFENIH-QVQLBTGDSA-N 1 0 396.310 2.871 20 0 GFADRO C[C@H]1C[C@H](C(=O)Nc2cc(Br)ccc2N2CC[NH+](C)CC2)CCO1 ZINC000271828971 655096067 /nfs/dbraw/zinc/09/60/67/655096067.db2.gz DPYOXGFSUYWIBA-UONOGXRCSA-N 1 0 396.329 2.955 20 0 GFADRO C[C@@H]([NH2+]Cc1cccc(S(=O)(=O)N(C)C)c1)c1ccc([S@](C)=O)cc1 ZINC000271850275 655096816 /nfs/dbraw/zinc/09/68/16/655096816.db2.gz VVTSWFIIFJFLQJ-SHACYNPGSA-N 1 0 380.535 2.525 20 0 GFADRO CC(C)c1cc(Br)ccc1NC(=O)C(=O)NCC1=CC[N@H+](C)CC1 ZINC000271869149 655097223 /nfs/dbraw/zinc/09/72/23/655097223.db2.gz JQYKFBINNCYWLM-UHFFFAOYSA-N 1 0 394.313 2.889 20 0 GFADRO COc1c(Cl)cc(Cl)cc1C[NH2+][C@@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1 ZINC000271984057 655099996 /nfs/dbraw/zinc/09/99/96/655099996.db2.gz KCNLUDFXLRATDM-CJNGLKHVSA-N 1 0 394.320 2.828 20 0 GFADRO O=S1(=O)CC[C@@]2(C1)C[C@H]([NH2+]Cc1ccc(CSC(F)F)o1)CCO2 ZINC000271985349 655100157 /nfs/dbraw/zinc/10/01/57/655100157.db2.gz KFDYNBIAGSTTBW-ABAIWWIYSA-N 1 0 381.466 2.561 20 0 GFADRO C[N@H+](C[C@H](O)c1cccc(Br)c1)C[C@H]1CCCN1c1cccnn1 ZINC000106088305 655102033 /nfs/dbraw/zinc/10/20/33/655102033.db2.gz GODSIJUAUDGOMV-SJORKVTESA-N 1 0 391.313 2.873 20 0 GFADRO C[C@@H](O)C[N@@H+]1CCN(CC(=O)Nc2cc(Cl)c(Cl)cc2Cl)C[C@@H]1C ZINC000106100679 655102376 /nfs/dbraw/zinc/10/23/76/655102376.db2.gz XKHWKZJSYRGBPV-WDEREUQCSA-N 1 0 394.730 2.972 20 0 GFADRO C[C@@H]1CN(C[C@H](O)C[N@H+](Cc2cccc(Br)c2)C2CC2)C[C@H](C)O1 ZINC000106381680 655107611 /nfs/dbraw/zinc/10/76/11/655107611.db2.gz JESVHOCDSIBIOG-KHYOSLBOSA-N 1 0 397.357 2.884 20 0 GFADRO Cc1cc(Br)ccc1CC(=O)Nc1ccc(=O)n(CC[NH+](C)C)c1 ZINC000272290728 655108306 /nfs/dbraw/zinc/10/83/06/655108306.db2.gz FQRSHPKJLIEYNC-UHFFFAOYSA-N 1 0 392.297 2.662 20 0 GFADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)CCc3cccc(Br)c3)C2)CC1 ZINC000106800659 655111566 /nfs/dbraw/zinc/11/15/66/655111566.db2.gz UCOAOUYTKPCNEW-GOSISDBHSA-N 1 0 394.357 2.620 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC000106915098 655114679 /nfs/dbraw/zinc/11/46/79/655114679.db2.gz GDRLNZGHXYTOOI-MRXNPFEDSA-N 1 0 384.318 2.789 20 0 GFADRO Cc1n[nH]c(CC[NH2+][C@H](C)c2nnn(-c3cccc(Br)c3)c2C)n1 ZINC000272569341 655116322 /nfs/dbraw/zinc/11/63/22/655116322.db2.gz OVXUIQVKGPYZSD-SNVBAGLBSA-N 1 0 390.289 2.658 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)NCC2(C)CC[NH+](C)CC2)c(Br)c1 ZINC000272671886 655118585 /nfs/dbraw/zinc/11/85/85/655118585.db2.gz KKOZCFPFALTKHS-UHFFFAOYSA-N 1 0 396.329 2.853 20 0 GFADRO O=C(Nc1ccncc1Br)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000272703395 655119785 /nfs/dbraw/zinc/11/97/85/655119785.db2.gz VFQBLFCWXVRDBV-JKSUJKDBSA-N 1 0 397.317 2.734 20 0 GFADRO Cn1nnc(Br)c1COC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000839378829 661081736 /nfs/dbraw/zinc/08/17/36/661081736.db2.gz VEPCRYUDIYFNJX-AWEZNQCLSA-N 1 0 393.285 2.533 20 0 GFADRO C[N@@H+](CC(=O)Nc1cccc(I)c1)C[C@H]1CCCOC1 ZINC000107694108 655123902 /nfs/dbraw/zinc/12/39/02/655123902.db2.gz ZLIIMVRQMPNMQC-GFCCVEGCSA-N 1 0 388.249 2.588 20 0 GFADRO CC[N@@H+]1CC[C@@H](CNC(=O)c2ccn(-c3cccc(Br)c3)n2)C1 ZINC000107893359 655125888 /nfs/dbraw/zinc/12/58/88/655125888.db2.gz SRDKXYQSPOTYSU-ZDUSSCGKSA-N 1 0 377.286 2.706 20 0 GFADRO COCCN1CC[C@H]([NH2+]C[C@H]2CCN(c3ccc(Br)cc3)C2)C1 ZINC000273148579 655132424 /nfs/dbraw/zinc/13/24/24/655132424.db2.gz XDFUYEXKRXDPQU-WBVHZDCISA-N 1 0 382.346 2.586 20 0 GFADRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1cnn(C)c1Br ZINC000273228870 655135767 /nfs/dbraw/zinc/13/57/67/655135767.db2.gz OFXKJQVYGABKRZ-CJNGLKHVSA-N 1 0 391.313 2.823 20 0 GFADRO OC[C@@H]1CCC[N@@H+]1Cc1ccccc1CNc1ncncc1Br ZINC000273276529 655137494 /nfs/dbraw/zinc/13/74/94/655137494.db2.gz XOUWBVWRPNADDH-HNNXBMFYSA-N 1 0 377.286 2.808 20 0 GFADRO Cc1c(C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)cnn1-c1ccc(Br)cc1 ZINC000109069490 655141723 /nfs/dbraw/zinc/14/17/23/655141723.db2.gz DQPCXVMFCMRWTH-CQSZACIVSA-N 1 0 389.297 2.910 20 0 GFADRO CS[C@@H]1CN(C(=O)Cc2coc(-c3cccs3)n2)C[C@@H]1[NH+]1CCCC1 ZINC000273448782 655143824 /nfs/dbraw/zinc/14/38/24/655143824.db2.gz CEWMUVGPUWFUID-GOEBONIOSA-N 1 0 377.535 2.984 20 0 GFADRO C[NH+](C)C1CN(C(=O)Nc2ccc(CCn3cc(Br)cn3)cc2)C1 ZINC000273486931 655144851 /nfs/dbraw/zinc/14/48/51/655144851.db2.gz NLNATSYKSLPMAE-UHFFFAOYSA-N 1 0 392.301 2.666 20 0 GFADRO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)C(=O)Nc1cc(Cl)c(N)c(Cl)c1 ZINC000839477994 661085814 /nfs/dbraw/zinc/08/58/14/661085814.db2.gz DCIWSAFJGOWPDR-QWRGUYRKSA-N 1 0 387.311 2.893 20 0 GFADRO Cc1cccc(C(=O)Nc2cnn(CC[NH+](C)C)c2)c1I ZINC000109537515 655148125 /nfs/dbraw/zinc/14/81/25/655148125.db2.gz BHNWLKVAILICID-UHFFFAOYSA-N 1 0 398.248 2.610 20 0 GFADRO C[NH+](C)CCCN(C(=O)c1cccc(Cl)c1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000273598926 655150230 /nfs/dbraw/zinc/15/02/30/655150230.db2.gz MZTQPJFBOHQCCR-LBPRGKRZSA-N 1 0 393.336 2.574 20 0 GFADRO CCCN(CN1C(=O)C(=O)N(c2ccc(Br)cc2)C1=O)C1CC1 ZINC000171603219 655152577 /nfs/dbraw/zinc/15/25/77/655152577.db2.gz UMNQOILUDZVAMN-UHFFFAOYSA-N 1 0 380.242 2.576 20 0 GFADRO C[N@H+]1CC=C(CNS(=O)(=O)Cc2ccc(Cl)cc2Br)CC1 ZINC000273698552 655154768 /nfs/dbraw/zinc/15/47/68/655154768.db2.gz CMWXUDCPZBXCLI-UHFFFAOYSA-N 1 0 393.734 2.784 20 0 GFADRO CC[N@@H+]1CCCN(C(=O)c2ccc(-n3cc(Br)cn3)cc2)CC1 ZINC000110815985 655160200 /nfs/dbraw/zinc/16/02/00/655160200.db2.gz SUNFNKZLCDKXPH-UHFFFAOYSA-N 1 0 377.286 2.803 20 0 GFADRO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@H]1N2C(=O)c1cc(Br)n(C)n1 ZINC000839233188 661076723 /nfs/dbraw/zinc/07/67/23/661076723.db2.gz SEZOUWMQNOLMSA-CZUORRHYSA-N 1 0 389.297 2.939 20 0 GFADRO CCC[N@@H+]1CC[C@H](CNC(=O)Nc2ccncc2I)C1 ZINC000273921667 655164507 /nfs/dbraw/zinc/16/45/07/655164507.db2.gz UYORWZXFNBQQBG-LLVKDONJSA-N 1 0 388.253 2.540 20 0 GFADRO C[NH+]1CCN(c2ccc(NC(=O)c3ccc(Br)nc3)cc2)CC1 ZINC000173266788 655165754 /nfs/dbraw/zinc/16/57/54/655165754.db2.gz KFECMZOJVZEIQN-UHFFFAOYSA-N 1 0 375.270 2.848 20 0 GFADRO O=C(Nc1ccc(I)cc1)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000111243461 655167072 /nfs/dbraw/zinc/16/70/72/655167072.db2.gz PSDXTTGBPYNFAH-NSHDSACASA-N 1 0 384.139 2.772 20 0 GFADRO C[C@H](CNC(=O)/C=C/c1cc(Br)cs1)C[NH+]1CCN(C)CC1 ZINC000173402838 655170158 /nfs/dbraw/zinc/17/01/58/655170158.db2.gz SLGIEBBLBXUXEY-ITDFMYJTSA-N 1 0 386.359 2.524 20 0 GFADRO Cn1cc(N2CC[C@@H]([NH2+][C@@H]3CCc4c3cccc4Br)C2=O)cn1 ZINC000111373786 655171926 /nfs/dbraw/zinc/17/19/26/655171926.db2.gz BAMIJQSIZAFMAV-HZPDHXFCSA-N 1 0 375.270 2.565 20 0 GFADRO O[C@@H](C[NH2+]Cc1nc(-c2cccc(Br)c2)c[nH]1)COCC1CC1 ZINC000111383828 655172188 /nfs/dbraw/zinc/17/21/88/655172188.db2.gz ZXMZPAMUDNRHHO-HNNXBMFYSA-N 1 0 380.286 2.716 20 0 GFADRO CC[NH+](CC)[C@@H]1CCN(C(=O)Nc2ccc(NS(C)(=O)=O)c(Cl)c2)C1 ZINC000173555805 655174836 /nfs/dbraw/zinc/17/48/36/655174836.db2.gz QHALGPITLUTBCP-CYBMUJFWSA-N 1 0 388.921 2.660 20 0 GFADRO CN1CC[NH+](CCCCNC(=O)Nc2cc(Br)ccc2F)CC1 ZINC000111772799 655177203 /nfs/dbraw/zinc/17/72/03/655177203.db2.gz VXTZXZXSAGQZTM-UHFFFAOYSA-N 1 0 387.297 2.737 20 0 GFADRO C[C@@H](CNC(=O)N[C@@H]1CCN(c2ccccc2Br)C1)[N@H+](C)C1CC1 ZINC000111856761 655178198 /nfs/dbraw/zinc/17/81/98/655178198.db2.gz AXHVVOQJIXJLKM-UONOGXRCSA-N 1 0 395.345 2.810 20 0 GFADRO OC[C@@H]1CCN(Cc2ccccc2)C[C@@H]1[NH2+]Cc1cncc(Br)c1 ZINC000274301565 655184373 /nfs/dbraw/zinc/18/43/73/655184373.db2.gz FRPOHCDQKZFZJG-HKUYNNGSSA-N 1 0 390.325 2.817 20 0 GFADRO CCC[NH+]1CCC(N2CCN(C(=O)c3coc(Br)c3)CC2)CC1 ZINC000112324824 655188648 /nfs/dbraw/zinc/18/86/48/655188648.db2.gz UVLOZESMYNOWFM-UHFFFAOYSA-N 1 0 384.318 2.674 20 0 GFADRO CC[NH+](CC)[C@H]1CCN(S(=O)(=O)N(C)Cc2c(F)cccc2Cl)C1 ZINC000173993855 655188899 /nfs/dbraw/zinc/18/88/99/655188899.db2.gz WTRFAPRSWNMIQR-ZDUSSCGKSA-N 1 0 377.913 2.572 20 0 GFADRO C[C@H]1CCC[N@H+](CCNS(=O)(=O)Cc2ccc(Br)cc2)C1 ZINC000174003276 655189702 /nfs/dbraw/zinc/18/97/02/655189702.db2.gz UZJFLQGMPQMJBA-ZDUSSCGKSA-N 1 0 375.332 2.600 20 0 GFADRO C[N@H+](C[C@@H](O)COCc1ccco1)C[C@@H](O)c1cccc(Br)c1 ZINC000839634274 661097036 /nfs/dbraw/zinc/09/70/36/661097036.db2.gz BLXKPGHBGXXVAZ-NVXWUHKLSA-N 1 0 384.270 2.585 20 0 GFADRO CC(C)COC[C@H](O)C[NH2+]Cc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000112372721 655190254 /nfs/dbraw/zinc/19/02/54/655190254.db2.gz JAVSRQGUGLFIFE-OAHLLOKOSA-N 1 0 382.302 2.962 20 0 GFADRO Cc1nc2n(n1)C[C@H]([NH2+]Cc1nc(-c3ccc(Br)cc3)c[nH]1)CC2 ZINC000112373540 655190505 /nfs/dbraw/zinc/19/05/05/655190505.db2.gz GTWRYXNQBVDZPC-CQSZACIVSA-N 1 0 387.285 2.844 20 0 GFADRO O=C(NCCC[NH+]1CCCCC1)c1csc(I)c1 ZINC000113424616 655210466 /nfs/dbraw/zinc/21/04/66/655210466.db2.gz HZMSUAOAERUFML-UHFFFAOYSA-N 1 0 378.279 2.959 20 0 GFADRO Cc1nc2n(n1)C[C@H]([NH2+][C@@H](C)C(=O)Nc1ccc(Br)c(C)c1)CC2 ZINC000112549140 655193321 /nfs/dbraw/zinc/19/33/21/655193321.db2.gz IMDWNJHFQTYISS-SMDDNHRTSA-N 1 0 392.301 2.589 20 0 GFADRO COCCOCCOCCC[NH2+][C@H](C)c1cc(Br)ncc1F ZINC000274617363 655194541 /nfs/dbraw/zinc/19/45/41/655194541.db2.gz DXBOZGMMXSTBCX-GFCCVEGCSA-N 1 0 379.270 2.704 20 0 GFADRO CCCS(=O)(=O)Nc1cc(NC(=O)[C@H](C(C)C)[NH+](C)C)c(F)cc1F ZINC000112892966 655198786 /nfs/dbraw/zinc/19/87/86/655198786.db2.gz GQBWCSQNQHCEJP-HNNXBMFYSA-N 1 0 377.457 2.641 20 0 GFADRO NC(=O)[C@H](N[C@@H]1CC[N@H+](CC2CCCC2)C1)c1ccc(Br)cc1F ZINC000174318459 655199027 /nfs/dbraw/zinc/19/90/27/655199027.db2.gz PPKSFSFWCJXBOM-RHSMWYFYSA-N 1 0 398.320 2.969 20 0 GFADRO O=C1CCCN1[C@H]1CCC[N@@H+](C[C@H](O)c2cccc(Br)c2)CC1 ZINC000839666620 661099118 /nfs/dbraw/zinc/09/91/18/661099118.db2.gz PGZBQDDAEABNKK-IRXDYDNUSA-N 1 0 381.314 2.959 20 0 GFADRO CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]C[C@@]1(N(C)C)CCSC1 ZINC000274790537 655201879 /nfs/dbraw/zinc/20/18/79/655201879.db2.gz MLYXHQKLPINXNJ-INIZCTEOSA-N 1 0 376.975 2.661 20 0 GFADRO CCNC(=O)C(C)(C)C[NH2+]Cc1ncc(Br)cc1Br ZINC000274842968 655203983 /nfs/dbraw/zinc/20/39/83/655203983.db2.gz MTHKJSVYMRKAOP-UHFFFAOYSA-N 1 0 393.123 2.859 20 0 GFADRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)c2cc(Br)cnc2N(C)C)C1 ZINC000113158796 655204268 /nfs/dbraw/zinc/20/42/68/655204268.db2.gz ULDQGBQKBAHZIW-CYBMUJFWSA-N 1 0 383.334 2.760 20 0 GFADRO CCN(CC)S(=O)(=O)c1cc(NC(=O)C2CC[NH+](C)CC2)ccc1Cl ZINC000174602927 655205012 /nfs/dbraw/zinc/20/50/12/655205012.db2.gz AWSMMVQFKNJUTO-UHFFFAOYSA-N 1 0 387.933 2.651 20 0 GFADRO NC(=O)N1CCC([NH2+]Cc2cc(Br)ccc2OC(F)F)CC1 ZINC000113352827 655208279 /nfs/dbraw/zinc/20/82/79/655208279.db2.gz UAGDXAZPFOUWQG-UHFFFAOYSA-N 1 0 378.217 2.683 20 0 GFADRO C[C@H]([NH2+]CC1CCN(S(=O)(=O)C(F)(F)F)CC1)c1ccc(Cl)cn1 ZINC000274970438 655209444 /nfs/dbraw/zinc/20/94/44/655209444.db2.gz YDHZBPLKDIUONO-JTQLQIEISA-N 1 0 385.839 2.947 20 0 GFADRO CCS[C@@H]1CC[C@H]([N@H+](C)CC(=O)Nc2sc3c(c2C(N)=O)CCC3)C1 ZINC000839497371 661087775 /nfs/dbraw/zinc/08/77/75/661087775.db2.gz BOPNUPMYCAOSDU-NWDGAFQWSA-N 1 0 381.567 2.880 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1csc(I)c1 ZINC000113425592 655210425 /nfs/dbraw/zinc/21/04/25/655210425.db2.gz VXQXGEYDICVEQQ-GHMZBOCLSA-N 1 0 376.263 2.709 20 0 GFADRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)c2csc(I)c2)C1 ZINC000113426534 655210446 /nfs/dbraw/zinc/21/04/46/655210446.db2.gz VTJPZCDFMWEJBL-JTQLQIEISA-N 1 0 378.279 2.813 20 0 GFADRO C[NH+](C)C[C@H]1CCN(C(=O)c2[nH]nc(-c3ccccc3)c2Br)C1 ZINC000113453905 655210599 /nfs/dbraw/zinc/21/05/99/655210599.db2.gz ZAXQDSXUEVKCTL-GFCCVEGCSA-N 1 0 377.286 2.863 20 0 GFADRO C[NH+](C)C[C@H]1CCN(C(=O)[C@H]2CC(=O)N(c3cc(Cl)cc(Cl)c3)C2)C1 ZINC000113454821 655210649 /nfs/dbraw/zinc/21/06/49/655210649.db2.gz YPELXBHIFHWRCY-OLZOCXBDSA-N 1 0 384.307 2.756 20 0 GFADRO CCOC[C@H](O)C[NH+]1CCN([C@H](CC)c2ccc(Br)cc2)CC1 ZINC000113502595 655211384 /nfs/dbraw/zinc/21/13/84/655211384.db2.gz IDRFLLCVZIBOIR-QZTJIDSGSA-N 1 0 385.346 2.915 20 0 GFADRO Cc1sc(Br)nc1C(=O)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000839514681 661089333 /nfs/dbraw/zinc/08/93/33/661089333.db2.gz HGZSQPOLDGEVHK-GFCCVEGCSA-N 1 0 388.331 2.541 20 0 GFADRO CS[C@H]1CN(C(=O)c2cc(NC(C)=O)ccc2Cl)C[C@H]1[NH+]1CCCC1 ZINC000275156877 655220115 /nfs/dbraw/zinc/22/01/15/655220115.db2.gz TWLUMALLQVJKSR-SJORKVTESA-N 1 0 381.929 2.950 20 0 GFADRO CC[NH+](CC)[C@H]1CCN(S(=O)(=O)c2cc(OC)ccc2Br)C1 ZINC000175316343 655220306 /nfs/dbraw/zinc/22/03/06/655220306.db2.gz DXPJKGLXWPQMLM-LBPRGKRZSA-N 1 0 391.331 2.563 20 0 GFADRO C[C@@H]1C[C@@H](N(C)CCS(=O)(=O)c2cccc(Br)c2)CC[N@@H+]1C ZINC000175716633 655225918 /nfs/dbraw/zinc/22/59/18/655225918.db2.gz VYPZPPQSTZDQPI-HIFRSBDPSA-N 1 0 389.359 2.637 20 0 GFADRO C[C@H](C(=O)NCc1cccnc1N1CC[NH+](C)CC1)c1ccc(Cl)s1 ZINC000175845361 655228428 /nfs/dbraw/zinc/22/84/28/655228428.db2.gz ICMLRBFKVKXEKP-ZDUSSCGKSA-N 1 0 378.929 2.968 20 0 GFADRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)Nc1c(F)cccc1Br ZINC000176087427 655234969 /nfs/dbraw/zinc/23/49/69/655234969.db2.gz PCYCOZWEFONYJP-LLVKDONJSA-N 1 0 386.265 2.517 20 0 GFADRO CCOCCC[N@@H+]1CC[C@H](NS(=O)(=O)c2cc(F)ccc2Cl)[C@H](C)C1 ZINC000115592228 655240043 /nfs/dbraw/zinc/24/00/43/655240043.db2.gz AMFGKBYDTZIJGO-CJNGLKHVSA-N 1 0 392.924 2.894 20 0 GFADRO CCc1ccc([C@@H](CNC(=O)NCc2nnc(SC)s2)[NH+](C)C)cc1 ZINC000275583359 655242954 /nfs/dbraw/zinc/24/29/54/655242954.db2.gz DTZHUZWYPGUYDE-CQSZACIVSA-N 1 0 379.555 2.925 20 0 GFADRO CCN(C[C@@H]1CC[N@H+](CC(=O)NCc2sccc2C)C1)CC(F)(F)F ZINC000176396665 655243906 /nfs/dbraw/zinc/24/39/06/655243906.db2.gz UQXRAGKAYDYPIJ-AWEZNQCLSA-N 1 0 377.476 2.879 20 0 GFADRO C[NH+](C)CC[C@H](NC(=O)c1ccc(S(=O)(=O)C(F)F)cc1)C(C)(C)C ZINC000116126710 655244446 /nfs/dbraw/zinc/24/44/46/655244446.db2.gz NGKWSMFWSHGTRJ-AWEZNQCLSA-N 1 0 376.469 2.779 20 0 GFADRO O=C(CCc1ccc(Br)cc1)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000176485171 655247361 /nfs/dbraw/zinc/24/73/61/655247361.db2.gz UGGPFBYPWDTUMG-MRXNPFEDSA-N 1 0 381.314 2.562 20 0 GFADRO C[NH+](C)CC[C@H](NC(=O)C(=O)Nc1ccccc1Br)C(C)(C)C ZINC000116588387 655249836 /nfs/dbraw/zinc/24/98/36/655249836.db2.gz XKMXHCBFYJGUJI-AWEZNQCLSA-N 1 0 384.318 2.870 20 0 GFADRO CS[C@@H]1CN(C(=O)c2cc(Br)ncc2Cl)C[C@@H]1[NH+](C)C ZINC000275756619 655249786 /nfs/dbraw/zinc/24/97/86/655249786.db2.gz UYDMTWDNLPVKFZ-WDEREUQCSA-N 1 0 378.723 2.615 20 0 GFADRO CN(C)C(=O)c1ccc(C[NH2+][C@@H]2CCN(c3ccc(Br)cc3)C2)[nH]1 ZINC000176751668 655254948 /nfs/dbraw/zinc/25/49/48/655254948.db2.gz JTMBJEGUKTUHBL-OAHLLOKOSA-N 1 0 391.313 2.848 20 0 GFADRO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)C[N@H+](C)[C@H]1CC[C@H](O)CC1 ZINC000275902082 655254968 /nfs/dbraw/zinc/25/49/68/655254968.db2.gz RZUBGKUOGWMURG-HAQNSBGRSA-N 1 0 389.279 2.954 20 0 GFADRO O=C(NCCC[NH+]1CCCCC1)C(=O)Nc1cc(F)ccc1Br ZINC000176940571 655262941 /nfs/dbraw/zinc/26/29/41/655262941.db2.gz PTKPLNUMJYDOMY-UHFFFAOYSA-N 1 0 386.265 2.519 20 0 GFADRO CCCN(CCC[NH+](C)C)C(=O)C[C@@](O)(c1nc(C)cs1)C(F)(F)F ZINC000276133078 655263988 /nfs/dbraw/zinc/26/39/88/655263988.db2.gz AEUPKYDVZTWORB-OAHLLOKOSA-N 1 0 381.464 2.782 20 0 GFADRO CCOc1c(Cl)cc(C[N@H+](C)CCOCCOCCOC)cc1OC ZINC000276170668 655265726 /nfs/dbraw/zinc/26/57/26/655265726.db2.gz JGNOYIKXQHEYSD-UHFFFAOYSA-N 1 0 375.893 2.859 20 0 GFADRO C[C@@H](Cc1ccc(Cl)cc1)[N@H+](C)CCC(=O)NC(=O)NCC(F)(F)F ZINC000177086761 655267696 /nfs/dbraw/zinc/26/76/96/655267696.db2.gz QCLDSJISQODRKI-NSHDSACASA-N 1 0 379.810 2.981 20 0 GFADRO COc1cc(NC(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)ccc1Br ZINC000177093908 655268346 /nfs/dbraw/zinc/26/83/46/655268346.db2.gz FBVIHFFYQHXPJN-CYBMUJFWSA-N 1 0 398.301 2.644 20 0 GFADRO C[NH+](C)C1CCN(CCNC(=O)c2cc(Cl)ccc2OC(F)F)CC1 ZINC000177141815 655270061 /nfs/dbraw/zinc/27/00/61/655270061.db2.gz YLKYYYDUCAXSHJ-UHFFFAOYSA-N 1 0 375.847 2.697 20 0 GFADRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)Nc2ccc(Br)cc2)C1 ZINC000118112380 655271848 /nfs/dbraw/zinc/27/18/48/655271848.db2.gz GNKNWOOKDKRXJZ-CYBMUJFWSA-N 1 0 382.302 2.624 20 0 GFADRO CN(CC[N@H+](C)C1CCN(C)CC1)CC(=O)Nc1cc(Cl)ccc1Cl ZINC000177376861 655274418 /nfs/dbraw/zinc/27/44/18/655274418.db2.gz OAMOKLFERAJMGM-UHFFFAOYSA-N 1 0 387.355 2.890 20 0 GFADRO Cc1nccn1CCC[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000276419622 655275022 /nfs/dbraw/zinc/27/50/22/655275022.db2.gz CBTRSUUBGUHZHS-UHFFFAOYSA-N 1 0 393.329 2.971 20 0 GFADRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)c2ccc(S(=O)(=O)C(F)(F)F)cc2)C1 ZINC000177519141 655279175 /nfs/dbraw/zinc/27/91/75/655279175.db2.gz GDNPTCAVPUWUFF-OLZOCXBDSA-N 1 0 378.416 2.583 20 0 GFADRO C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(C(F)(F)F)cc2Cl)C1 ZINC000177547422 655280933 /nfs/dbraw/zinc/28/09/33/655280933.db2.gz USTCEUOXLKKXDD-LLVKDONJSA-N 1 0 377.794 2.850 20 0 GFADRO O=C(CNC(=O)C[NH+]1C[C@@H]2CCCC[C@H]2C1)Nc1ccccc1Br ZINC000177578129 655282387 /nfs/dbraw/zinc/28/23/87/655282387.db2.gz LIIULQCJUHUFNA-KBPBESRZSA-N 1 0 394.313 2.626 20 0 GFADRO COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)NCCC[N@H+](C)C(C)C ZINC000276829280 655289232 /nfs/dbraw/zinc/28/92/32/655289232.db2.gz QVKQGEVSZHECJV-UHFFFAOYSA-N 1 0 376.284 2.787 20 0 GFADRO COc1cccc([C@H](CNC(=O)c2nc(Br)cs2)[NH+](C)C)c1 ZINC000119150438 655291486 /nfs/dbraw/zinc/29/14/86/655291486.db2.gz GEYWTDIZWURUOV-LBPRGKRZSA-N 1 0 384.299 2.947 20 0 GFADRO CC(C)S(=O)(=O)CCC[NH2+][C@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000276923259 655293477 /nfs/dbraw/zinc/29/34/77/655293477.db2.gz LHQQERATFUQHPD-RDJZCZTQSA-N 1 0 390.908 2.554 20 0 GFADRO CNC(=O)c1ccc(C[NH2+]C[C@@H](CO)Cc2cccc(Br)c2)cc1 ZINC000276951180 655294657 /nfs/dbraw/zinc/29/46/57/655294657.db2.gz BXVDWFDMAHSKIB-INIZCTEOSA-N 1 0 391.309 2.750 20 0 GFADRO C[C@H]([NH2+]Cc1ccccc1CS(=O)(=O)N1CCOCC1)c1cccs1 ZINC000178010247 655295374 /nfs/dbraw/zinc/29/53/74/655295374.db2.gz GLLVUNDINDSWNH-HNNXBMFYSA-N 1 0 380.535 2.761 20 0 GFADRO C[NH+](C)[C@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2F)CC1 ZINC000276968951 655295680 /nfs/dbraw/zinc/29/56/80/655295680.db2.gz FQFQDKFNMWHUHR-LBPRGKRZSA-N 1 0 379.295 2.693 20 0 GFADRO Cc1cc(C(=O)N2CCN(C[C@H]3CCCC[N@H+]3C)CC2)ccc1Br ZINC000119265547 655296057 /nfs/dbraw/zinc/29/60/57/655296057.db2.gz PRCFZUXCDSNILD-QGZVFWFLSA-N 1 0 394.357 3.000 20 0 GFADRO O=C(c1cc2ccc(Br)cc2[nH]1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000178087538 655297444 /nfs/dbraw/zinc/29/74/44/655297444.db2.gz XGWNXUBGOVWZQG-CYBMUJFWSA-N 1 0 392.297 2.725 20 0 GFADRO C[NH+](C)[C@H]1CCCN(S(=O)(=O)c2ccc(Br)c(F)c2)CC1 ZINC000277005147 655297692 /nfs/dbraw/zinc/29/76/92/655297692.db2.gz KLTPFLBOLDAFDE-NSHDSACASA-N 1 0 379.295 2.693 20 0 GFADRO C[NH+](C)CCN(Cc1ccco1)S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000119366586 655300997 /nfs/dbraw/zinc/30/09/97/655300997.db2.gz LJRAJISSURNVGZ-UHFFFAOYSA-N 1 0 378.281 2.734 20 0 GFADRO O[C@H](COc1ccc(Cl)cc1Cl)C[N@@H+]1CCC[C@H](Cn2ccnn2)C1 ZINC000119377400 655301529 /nfs/dbraw/zinc/30/15/29/655301529.db2.gz IIJXUFLBTIZELQ-ZFWWWQNUSA-N 1 0 385.295 2.737 20 0 GFADRO O=C(CCc1cc(Br)ccc1F)N1CC[NH+](C2CCOCC2)CC1 ZINC000119554743 655307013 /nfs/dbraw/zinc/30/70/13/655307013.db2.gz UGJQSNJWFQCQKZ-UHFFFAOYSA-N 1 0 399.304 2.844 20 0 GFADRO Cc1ccc(NC(=O)C(=O)N2CCC[C@@H]([NH+](C)C)CC2)c(Br)c1 ZINC000277222690 655308495 /nfs/dbraw/zinc/30/84/95/655308495.db2.gz ZDJJOFWVRVHIDD-CYBMUJFWSA-N 1 0 382.302 2.639 20 0 GFADRO O=C(CC[N@@H+]1CCC[C@@H](Cn2ccnn2)C1)Nc1ccccc1Br ZINC000119629851 655309051 /nfs/dbraw/zinc/30/90/51/655309051.db2.gz VURVHTIGVHUVHG-CQSZACIVSA-N 1 0 392.301 2.781 20 0 GFADRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)Nc1cc(F)ccc1Br ZINC000119639893 655309518 /nfs/dbraw/zinc/30/95/18/655309518.db2.gz PTFVADKRZXLZMN-GFCCVEGCSA-N 1 0 386.265 2.517 20 0 GFADRO CC(C)[N@H+](CCC1CCN(C(=O)OC(C)(C)C)CC1)CCS(C)(=O)=O ZINC000179975568 655320247 /nfs/dbraw/zinc/32/02/47/655320247.db2.gz GMIITEXXRZSEQS-UHFFFAOYSA-N 1 0 376.563 2.779 20 0 GFADRO CC(C)[NH+](CCNC(=O)C1CCN(C(=O)C(C)(Cl)Cl)CC1)C(C)C ZINC000180174393 655323306 /nfs/dbraw/zinc/32/33/06/655323306.db2.gz VCLRVWXVZQFQAS-UHFFFAOYSA-N 1 0 380.360 2.654 20 0 GFADRO C[C@@H](Cn1cc(Br)cn1)[NH2+][C@@H]1CCN(c2ncccc2Cl)C1 ZINC000119975252 655323570 /nfs/dbraw/zinc/32/35/70/655323570.db2.gz MCEZGRKCFGPGNA-WCQYABFASA-N 1 0 384.709 2.951 20 0 GFADRO C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)NCC[S@@](=O)C(C)(C)C ZINC000120197151 655330926 /nfs/dbraw/zinc/33/09/26/655330926.db2.gz IHXWKRAERIAMME-VWLOTQADSA-N 1 0 387.977 2.960 20 0 GFADRO CN(CCC[NH+]1CCCC1)C(=O)C(=O)Nc1nc(-c2cccs2)cs1 ZINC000281470449 655333632 /nfs/dbraw/zinc/33/36/32/655333632.db2.gz OKRNWFOAQZEXKF-UHFFFAOYSA-N 1 0 378.523 2.754 20 0 GFADRO C[C@@H]1C[NH+](CCCNC(=O)CCOc2ccccc2Br)C[C@@H](C)O1 ZINC000120314854 655334894 /nfs/dbraw/zinc/33/48/94/655334894.db2.gz YZHJARNIHLBYNO-HUUCEWRRSA-N 1 0 399.329 2.834 20 0 GFADRO C[C@H](NC(=O)CN1CC[C@@H]2COC(=O)N[C@H]2C1)c1ccc(Cl)cc1Cl ZINC000281578194 655335513 /nfs/dbraw/zinc/33/55/13/655335513.db2.gz ZPZWMNWQUKWBNF-RWSFTLGLSA-N 1 0 386.279 2.601 20 0 GFADRO CC[NH+]1CCN(CCNC(=O)c2oc3ccc(Br)cc3c2C)CC1 ZINC000120443721 655336023 /nfs/dbraw/zinc/33/60/23/655336023.db2.gz DXUKFZWREFERIC-UHFFFAOYSA-N 1 0 394.313 2.871 20 0 GFADRO C[N@@H+]1CCN(CCNC(=O)/C=C/c2csc(Br)c2)CC1(C)C ZINC000281778495 655337026 /nfs/dbraw/zinc/33/70/26/655337026.db2.gz MUUOTOUEVDSSMI-SNAWJCMRSA-N 1 0 386.359 2.666 20 0 GFADRO C[C@@H]([NH2+]C[C@]1(C)CCCS1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000120497622 655337371 /nfs/dbraw/zinc/33/73/71/655337371.db2.gz SUOXNVHWOBMPJD-QAPCUYQASA-N 1 0 384.567 2.644 20 0 GFADRO C[N@@H+]1CCN(CCNC(=O)c2cc3c(cccc3Br)[nH]2)CC1(C)C ZINC000281827028 655338262 /nfs/dbraw/zinc/33/82/62/655338262.db2.gz RNBSDNCYYKWVIV-UHFFFAOYSA-N 1 0 393.329 2.686 20 0 GFADRO O=C(Nc1ccc(Br)cc1)C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000120542028 655338578 /nfs/dbraw/zinc/33/85/78/655338578.db2.gz JFXNFRVAULZDCR-INIZCTEOSA-N 1 0 394.313 2.865 20 0 GFADRO Cc1ccc(I)cc1C(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000120552777 655338845 /nfs/dbraw/zinc/33/88/45/655338845.db2.gz SGVNCAZHIDDNKU-WCQYABFASA-N 1 0 384.261 2.955 20 0 GFADRO CCCCO[C@H]1C[C@@H]([NH2+]CC2CCN(S(=O)(=O)C(F)F)CC2)C1(C)C ZINC000181953939 655341664 /nfs/dbraw/zinc/34/16/64/655341664.db2.gz UNHLQYQSJDIJTK-CABCVRRESA-N 1 0 382.517 2.824 20 0 GFADRO CC(C)CO[C@@H]1C[C@@H]([NH2+]CC2CCN(S(=O)(=O)C(F)F)CC2)C1(C)C ZINC000181953480 655341668 /nfs/dbraw/zinc/34/16/68/655341668.db2.gz YYYUVNLKGPMSSH-HUUCEWRRSA-N 1 0 382.517 2.680 20 0 GFADRO Cc1cc(NC(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)cnc1Br ZINC000182423738 655344026 /nfs/dbraw/zinc/34/40/26/655344026.db2.gz LYGYZCUPZXNGOA-CHWSQXEVSA-N 1 0 385.306 2.773 20 0 GFADRO Cc1ccc(C[NH2+]C2CCN(C(=O)c3cnccn3)CC2)cc1Br ZINC000120822395 655344598 /nfs/dbraw/zinc/34/45/98/655344598.db2.gz LGTKVTWLYNZYQP-UHFFFAOYSA-N 1 0 389.297 2.942 20 0 GFADRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)NCc1ccc(O)c(Br)c1 ZINC000289237062 655344641 /nfs/dbraw/zinc/34/46/41/655344641.db2.gz OZXGDDSUJVZMHX-OCCSQVGLSA-N 1 0 382.302 2.923 20 0 GFADRO CC[C@H](Cc1cccc(Br)c1)C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000289291283 655345646 /nfs/dbraw/zinc/34/56/46/655345646.db2.gz RDYDIHVCEBXQQJ-SJLPKXTDSA-N 1 0 394.357 2.524 20 0 GFADRO COc1cccc(C[NH2+]CCNC(=O)c2ccc(Br)cc2)c1OC ZINC000121149577 655348150 /nfs/dbraw/zinc/34/81/50/655348150.db2.gz BBCAIJCZMQOCRN-UHFFFAOYSA-N 1 0 393.281 2.986 20 0 GFADRO C[C@@H](CCNC(=O)c1sccc1S(=O)(=O)C(F)F)[NH+]1CCCCC1 ZINC000183107632 655348966 /nfs/dbraw/zinc/34/89/66/655348966.db2.gz CDCVAUOGCHFFLZ-NSHDSACASA-N 1 0 380.482 2.739 20 0 GFADRO CC(C)[C@@H]1C[N@H+](C)CCN1Cn1nc2ccc(Br)cn2c1=S ZINC000840005355 661124200 /nfs/dbraw/zinc/12/42/00/661124200.db2.gz BYKLPFZZMATAHH-ZDUSSCGKSA-N 1 0 384.347 2.857 20 0 GFADRO CN(C)c1nn(CN2CCC(CCC[NH+]3CCOCC3)CC2)c(=S)s1 ZINC000183519499 655351907 /nfs/dbraw/zinc/35/19/07/655351907.db2.gz QWHZRLYGLVCTIA-UHFFFAOYSA-N 1 0 385.603 2.522 20 0 GFADRO C[C@H](CNc1cnn(-c2ccccn2)c(=O)c1Br)C[NH+]1CCCC1 ZINC000292633381 655352965 /nfs/dbraw/zinc/35/29/65/655352965.db2.gz BDAHLLNQFMFUCI-CYBMUJFWSA-N 1 0 392.301 2.534 20 0 GFADRO OCC[N@@H+](Cc1ccc(Cl)c(Cl)c1)C[C@H](O)COCC(F)(F)F ZINC000292805104 655354506 /nfs/dbraw/zinc/35/45/06/655354506.db2.gz BVNLTVUGLDFDDZ-NSHDSACASA-N 1 0 376.202 2.728 20 0 GFADRO CCOCCOc1ccc(Br)cc1C[NH2+]CCCc1cnn(C)n1 ZINC000292987991 655357776 /nfs/dbraw/zinc/35/77/76/655357776.db2.gz NROLHGUKQRFLHL-UHFFFAOYSA-N 1 0 397.317 2.715 20 0 GFADRO O=C(NCCCCC[NH+]1CCCC1)C(=O)Nc1ccc(Br)cc1 ZINC000293614277 655360069 /nfs/dbraw/zinc/36/00/69/655360069.db2.gz FQBNOPPZJBNWOI-UHFFFAOYSA-N 1 0 382.302 2.770 20 0 GFADRO COc1cc(/C=C/C(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)cc(Br)c1O ZINC000293650728 655361061 /nfs/dbraw/zinc/36/10/61/655361061.db2.gz GXLZOEAWVVKBKY-OAJJDEHYSA-N 1 0 395.297 2.731 20 0 GFADRO CS(=O)(=O)N1CCC(C[NH2+][C@@H]2CCc3sc(Br)cc32)CC1 ZINC000293761167 655361477 /nfs/dbraw/zinc/36/14/77/655361477.db2.gz OXHMXVCGIUBRCE-GFCCVEGCSA-N 1 0 393.372 2.759 20 0 GFADRO C[C@]([NH3+])(C(=O)NCC[C@@H](O)c1ccccc1)c1ccc(Br)cc1 ZINC000293968725 655363432 /nfs/dbraw/zinc/36/34/32/655363432.db2.gz APVRFXKTCBOMGX-SJLPKXTDSA-N 1 0 377.282 2.863 20 0 GFADRO CN(CC1([NH+](C)C)CCC1)S(=O)(=O)c1cnc(Cl)c(Br)c1 ZINC000294141399 655365628 /nfs/dbraw/zinc/36/56/28/655365628.db2.gz GMFDQCCXSZIKOH-UHFFFAOYSA-N 1 0 396.738 2.602 20 0 GFADRO Cn1nccc1CC[NH2+]Cc1cc(Br)cc(Br)c1N ZINC000185900299 655366869 /nfs/dbraw/zinc/36/68/69/655366869.db2.gz QLDVHYWPWSISBD-UHFFFAOYSA-N 1 0 388.107 2.860 20 0 GFADRO Cc1ccc(NC(=O)C(=O)NC2CC[NH+](C3CCC3)CC2)c(Br)c1 ZINC000296307825 655368741 /nfs/dbraw/zinc/36/87/41/655368741.db2.gz WHUADNPDVKJJPW-UHFFFAOYSA-N 1 0 394.313 2.829 20 0 GFADRO C[N@@H+]1CC[C@@]2(CCN(CN3CC[C@H](c4cccc(Br)c4)C3=O)C2)C1 ZINC000840075280 661129533 /nfs/dbraw/zinc/12/95/33/661129533.db2.gz LIMZYEBSMJCJHK-IEBWSBKVSA-N 1 0 392.341 2.750 20 0 GFADRO CC[C@H]([NH2+][C@H](C)c1cc(Br)cc(C)c1O)C(=O)N1CCOCC1 ZINC000187286834 655373356 /nfs/dbraw/zinc/37/33/56/655373356.db2.gz VBTHKPVIYWDPRN-DOMZBBRYSA-N 1 0 385.302 2.751 20 0 GFADRO CS[C@H]1CN(CCC(=O)N2CCc3sccc3C2)C[C@H]1[NH+]1CCCC1 ZINC000299369557 655374967 /nfs/dbraw/zinc/37/49/67/655374967.db2.gz QDDGIHSHCDTBLN-AEFFLSMTSA-N 1 0 379.595 2.535 20 0 GFADRO O=C1C[C@]2(CCOC2)CN1C[N@H+]1CC[C@@H](Cc2ccc(Br)cc2)C1 ZINC000840082587 661130239 /nfs/dbraw/zinc/13/02/39/661130239.db2.gz DRWBLTMRVSVZFN-QFBILLFUSA-N 1 0 393.325 2.910 20 0 GFADRO CN1CCN(C)[C@H](C[NH2+]Cc2cc(Br)c(Br)s2)C1 ZINC000299930721 655377702 /nfs/dbraw/zinc/37/77/02/655377702.db2.gz DGVSYCWEXPWHNA-SECBINFHSA-N 1 0 397.180 2.609 20 0 GFADRO CS(=O)(=O)c1ccc([C@H](O)C[NH2+]Cc2cccc(Br)c2)cc1 ZINC000314715629 655380398 /nfs/dbraw/zinc/38/03/98/655380398.db2.gz XIUXVFHOPHKDDD-MRXNPFEDSA-N 1 0 384.295 2.676 20 0 GFADRO C[C@@H](CNC(=O)c1[nH]nc2c1C[NH2+]CC2)Sc1ccc(Br)cc1 ZINC000188545657 655380644 /nfs/dbraw/zinc/38/06/44/655380644.db2.gz BVZZRWSVBWUTSO-JTQLQIEISA-N 1 0 395.326 2.729 20 0 GFADRO [NH3+]CC[C@@H]1CN(CC(=O)Nc2ccc(Br)cn2)c2ccccc21 ZINC000321401737 655382608 /nfs/dbraw/zinc/38/26/08/655382608.db2.gz QCLCCIQXLHJGQI-GFCCVEGCSA-N 1 0 375.270 2.735 20 0 GFADRO [NH3+]CC[C@H]1CN(CC(=O)Nc2ccc(Br)cn2)c2ccccc21 ZINC000321401740 655382614 /nfs/dbraw/zinc/38/26/14/655382614.db2.gz QCLCCIQXLHJGQI-LBPRGKRZSA-N 1 0 375.270 2.735 20 0 GFADRO CCCC[NH+]1CCC(NS(=O)(=O)c2c(Cl)nc3sccn32)CC1 ZINC000321653402 655382728 /nfs/dbraw/zinc/38/27/28/655382728.db2.gz QWPXSONHPYZUCV-UHFFFAOYSA-N 1 0 376.935 2.592 20 0 GFADRO Cc1ccc(C(=O)NCC[NH2+]C[C@@H](O)c2cccc(Br)c2)cc1 ZINC000321625266 655382776 /nfs/dbraw/zinc/38/27/76/655382776.db2.gz NMAFSADJLAKZDR-QGZVFWFLSA-N 1 0 377.282 2.811 20 0 GFADRO CC[NH+](CC)CC1CCN(S(=O)(=O)c2c(Cl)nc3sccn32)CC1 ZINC000325080179 655384375 /nfs/dbraw/zinc/38/43/75/655384375.db2.gz IGWODKDVTGDWNH-UHFFFAOYSA-N 1 0 390.962 2.792 20 0 GFADRO CC[C@@H]1C[N@H+](C)CCN1Cn1nnn(-c2ccc(Br)cc2)c1=S ZINC000840091414 661131630 /nfs/dbraw/zinc/13/16/30/661131630.db2.gz LEIORPURRSEIOG-CYBMUJFWSA-N 1 0 397.346 2.544 20 0 GFADRO CCn1cc(S(=O)(=O)NC[C@@H]2CC[N@H+](C)[C@@H]2c2cccc(Cl)c2)cn1 ZINC000363218243 655391670 /nfs/dbraw/zinc/39/16/70/655391670.db2.gz GUINNWIFNWSIGH-WMLDXEAASA-N 1 0 382.917 2.528 20 0 GFADRO Cc1nn(C)c(CN2CCC[C@@H](C(=O)Nc3ccccn3)C2)c1Br ZINC000365692712 655394694 /nfs/dbraw/zinc/39/46/94/655394694.db2.gz CKUMNNCRPYRINZ-CYBMUJFWSA-N 1 0 392.301 2.737 20 0 GFADRO C[C@H](Oc1ccccc1Br)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000366198805 655399922 /nfs/dbraw/zinc/39/99/22/655399922.db2.gz VUINLXZSAASULZ-ZFWWWQNUSA-N 1 0 397.313 2.586 20 0 GFADRO O=C(CCc1cccc(Br)c1)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000366594133 655400288 /nfs/dbraw/zinc/40/02/88/655400288.db2.gz WTZRSIYVLHVHTB-KRWDZBQOSA-N 1 0 381.314 2.751 20 0 GFADRO C[C@H](COCC(F)(F)F)NC(=O)[C@@H]1C[N@@H+](C(C)(C)C)C[C@H]1C(F)(F)F ZINC000366595372 655400356 /nfs/dbraw/zinc/40/03/56/655400356.db2.gz GIEUARZVXKSDHW-GMTAPVOTSA-N 1 0 378.357 2.979 20 0 GFADRO CC(C)n1cc(Br)cc1C(=O)N1CCC[N@H+](CC(C)(C)O)CC1 ZINC000366681040 655400711 /nfs/dbraw/zinc/40/07/11/655400711.db2.gz OBKIHNLXALTNPY-UHFFFAOYSA-N 1 0 386.334 2.750 20 0 GFADRO O=C(NC[C@@H]1CCC[NH2+]1)N1CCC[C@H]1c1ccc(I)cc1 ZINC000418357146 655405842 /nfs/dbraw/zinc/40/58/42/655405842.db2.gz CTBBELSAKAMDSX-GJZGRUSLSA-N 1 0 399.276 2.890 20 0 GFADRO Cc1ccc(S(=O)(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)c(Cl)n1 ZINC000192979700 655407599 /nfs/dbraw/zinc/40/75/99/655407599.db2.gz ULJGIRIBYQBLBY-INIZCTEOSA-N 1 0 379.913 2.844 20 0 GFADRO O=C(c1ccc(I)cc1Cl)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000424029951 655407918 /nfs/dbraw/zinc/40/79/18/655407918.db2.gz QDJMVEIXQXCARI-AWEZNQCLSA-N 1 0 390.652 2.913 20 0 GFADRO CO[C@@H]1C[N@H+](Cc2cn(-c3ccc(Br)cc3)nc2C(C)C)C[C@H]1O ZINC000449572926 655410585 /nfs/dbraw/zinc/41/05/85/655410585.db2.gz PNPXBIQMDIHFQK-IAGOWNOFSA-N 1 0 394.313 2.950 20 0 GFADRO CS(=O)(=O)N[C@H]1CCCC[C@H]1C[NH2+]Cc1ccc(Br)c(F)c1 ZINC000512896227 655418073 /nfs/dbraw/zinc/41/80/73/655418073.db2.gz TYPNCCQZVZATIB-WFASDCNBSA-N 1 0 393.322 2.786 20 0 GFADRO COCC1(C[NH2+]C[C@H](O)COc2ccc(Cl)cc2Cl)CCOCC1 ZINC000517925941 655419232 /nfs/dbraw/zinc/41/92/32/655419232.db2.gz QTQZHFHBQHHBHQ-AWEZNQCLSA-N 1 0 378.296 2.766 20 0 GFADRO CC[C@]1(COC)NC(=O)N([C@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)C1=O ZINC000530214626 655420449 /nfs/dbraw/zinc/42/04/49/655420449.db2.gz TWCSOQURCBHBDH-RHSMWYFYSA-N 1 0 388.295 2.943 20 0 GFADRO CC[C@]1(COC)NC(=O)N([C@@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)C1=O ZINC000530214627 655420488 /nfs/dbraw/zinc/42/04/88/655420488.db2.gz TWCSOQURCBHBDH-WMLDXEAASA-N 1 0 388.295 2.943 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N[C@H](C)C[N@@H+](C)C(C)C)cc1Br ZINC000567204545 655425280 /nfs/dbraw/zinc/42/52/80/655425280.db2.gz RLRYCJBBMSDRJO-CYBMUJFWSA-N 1 0 384.318 2.849 20 0 GFADRO COc1cccc(C[NH2+]CCNC(=O)c2ccc(Br)cc2)c1O ZINC000237198912 655425846 /nfs/dbraw/zinc/42/58/46/655425846.db2.gz YXIRNSYZBMXRQC-UHFFFAOYSA-N 1 0 379.254 2.683 20 0 GFADRO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000237809263 655426603 /nfs/dbraw/zinc/42/66/03/655426603.db2.gz AFNLXHCTMAWJJW-GFCCVEGCSA-N 1 0 379.254 2.736 20 0 GFADRO C[C@@H]1CN(Cn2nc(-c3cccc(Cl)c3)oc2=S)C[C@H](C)[N@H+]1CCO ZINC000840134313 661138708 /nfs/dbraw/zinc/13/87/08/661138708.db2.gz MTBHKLLTZHYYNK-BETUJISGSA-N 1 0 382.917 2.870 20 0 GFADRO Cc1cc(NC(=O)C(=O)NC[C@H](C)[NH+]2CCCC2)cc(C)c1Br ZINC000574266476 655427603 /nfs/dbraw/zinc/42/76/03/655427603.db2.gz USBPCFJQFAMPFN-ZDUSSCGKSA-N 1 0 382.302 2.605 20 0 GFADRO O=C(C[C@H]1CCC[NH2+]1)NCc1ccc(I)c(Cl)c1 ZINC000574808369 655431190 /nfs/dbraw/zinc/43/11/90/655431190.db2.gz FYQIXSBZIQZNDJ-SNVBAGLBSA-N 1 0 378.641 2.703 20 0 GFADRO CO[C@H]1CCN(Cc2cc(Br)ccc2OC(F)F)[C@H](C[NH3+])C1 ZINC000574813054 655431205 /nfs/dbraw/zinc/43/12/05/655431205.db2.gz NVLXNLJKNGEXAD-STQMWFEESA-N 1 0 379.245 2.989 20 0 GFADRO CO[C@@H]1CCN(C(=O)c2cc(Cl)cc(F)c2Br)[C@H](C[NH3+])C1 ZINC000574869490 655432462 /nfs/dbraw/zinc/43/24/62/655432462.db2.gz DAPYYJPKKVYZIJ-VHSXEESVSA-N 1 0 379.657 2.820 20 0 GFADRO O[C@@H](C[NH2+]CCCOC1CCOCC1)COc1c(Cl)cccc1Cl ZINC000575797270 655437235 /nfs/dbraw/zinc/43/72/35/655437235.db2.gz SEGPKDHCSWJRGJ-ZDUSSCGKSA-N 1 0 378.296 2.908 20 0 GFADRO COc1cc(OC)c(S(=O)(=O)N[C@@]2(C[NH3+])CCCC[C@@H]2C)cc1Cl ZINC000575802250 655437367 /nfs/dbraw/zinc/43/73/67/655437367.db2.gz GGDZWDRQHQYBEW-MEDUHNTESA-N 1 0 376.906 2.543 20 0 GFADRO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000575799799 655437370 /nfs/dbraw/zinc/43/73/70/655437370.db2.gz VDHFTFPFONDDDH-HOTGVXAUSA-N 1 0 384.307 2.666 20 0 GFADRO O=C1c2ccccc2C(=O)N1C[C@H](O)C[NH2+][C@@H]1CCc2sc(Cl)cc21 ZINC000575862510 655438620 /nfs/dbraw/zinc/43/86/20/655438620.db2.gz AFZIGJQNMJZCIZ-QMTHXVAHSA-N 1 0 376.865 2.636 20 0 GFADRO COc1cc(C[NH2+][C@@H]2CCC[C@H]3CN(C(C)=O)C[C@H]32)c(Br)cc1O ZINC000575950396 655440692 /nfs/dbraw/zinc/44/06/92/655440692.db2.gz BBEFJZQQGKVHHM-JGGQBBKZSA-N 1 0 397.313 2.900 20 0 GFADRO C[NH2+][C@H](C)Cc1noc(-c2cc(F)c(F)cc2I)n1 ZINC000261771015 655442260 /nfs/dbraw/zinc/44/22/60/655442260.db2.gz NCWUGQXYWCXUIL-ZCFIWIBFSA-N 1 0 379.148 2.770 20 0 GFADRO O=C(C[C@@H]1COCC[NH2+]1)N1CCC(OCc2ccc(Cl)c(Cl)c2)CC1 ZINC000262336749 655445231 /nfs/dbraw/zinc/44/52/31/655445231.db2.gz FFIKWTYKMGNBPR-CQSZACIVSA-N 1 0 387.307 2.880 20 0 GFADRO C[C@@H]1CN(C(=O)c2cc3cc(Cl)sc3[nH]2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000576335131 655445834 /nfs/dbraw/zinc/44/58/34/655445834.db2.gz RRUQDLTWLVOTFP-DOMZBBRYSA-N 1 0 380.945 2.981 20 0 GFADRO CO[C@H](C[NH3+])CC(=O)NCC(C)(C)Sc1ccc(Br)cc1 ZINC000262831224 655447228 /nfs/dbraw/zinc/44/72/28/655447228.db2.gz HWZOOBROSGQIOC-LBPRGKRZSA-N 1 0 375.332 2.800 20 0 GFADRO OC[C@@H](CC1CCC1)[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000576466729 655447841 /nfs/dbraw/zinc/44/78/41/655447841.db2.gz WYHFWFJEISTMMW-ZIAGYGMSSA-N 1 0 392.721 2.983 20 0 GFADRO CC(C)[N@@H+]1CC[C@H](N(C)Cn2c(=O)oc3cc(Br)c(F)cc32)C1 ZINC000840155501 661141922 /nfs/dbraw/zinc/14/19/22/661141922.db2.gz ZQHIERZEPQPHEO-NSHDSACASA-N 1 0 386.265 2.868 20 0 GFADRO Brc1cc2c(s1)CC[C@@H]2NCc1nnc(C2CC[NH2+]CC2)[nH]1 ZINC000576628278 655449997 /nfs/dbraw/zinc/44/99/97/655449997.db2.gz SVPKDPGLXPWRGC-NSHDSACASA-N 1 0 382.331 2.873 20 0 GFADRO O[C@H](COc1cc(Cl)ccc1Cl)C[N@@H+]1CCC[C@@H](N2CCOCC2)C1 ZINC000576645308 655450453 /nfs/dbraw/zinc/45/04/53/655450453.db2.gz XYCSWSFYLCLKPW-CVEARBPZSA-N 1 0 389.323 2.530 20 0 GFADRO Cn1nc(Br)c2c1ncnc2NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000263977889 655455394 /nfs/dbraw/zinc/45/53/94/655455394.db2.gz ZFYFYMWKOTTZBB-LLVKDONJSA-N 1 0 391.273 2.968 20 0 GFADRO O=C(Nc1ccn(-c2ccc(Cl)cc2Cl)n1)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000577364148 655457619 /nfs/dbraw/zinc/45/76/19/655457619.db2.gz YRJJBRRMYNZRBR-RYUDHWBXSA-N 1 0 380.279 3.252 20 0 GFADRO COc1cc(F)c(Br)cc1S(=O)(=O)N(CC[NH+](C)C)C(C)C ZINC000577388390 655458456 /nfs/dbraw/zinc/45/84/56/655458456.db2.gz GVNMPAGMFMWOIA-UHFFFAOYSA-N 1 0 397.310 2.558 20 0 GFADRO O=C(NCC1([NH+]2CCCC2)CCOCC1)c1ccc(Br)c(F)c1 ZINC000264188627 655458540 /nfs/dbraw/zinc/45/85/40/655458540.db2.gz BZTJAVZQDMHFQS-UHFFFAOYSA-N 1 0 385.277 2.963 20 0 GFADRO CN(C)C(=O)[C@@H]1CC[N@H+](Cn2ccc(-c3ccc(Br)cc3)n2)C1 ZINC000840174908 661143778 /nfs/dbraw/zinc/14/37/78/661143778.db2.gz PKYSJEBVHJPZRA-CQSZACIVSA-N 1 0 377.286 2.680 20 0 GFADRO O=C(NCC[C@H]1CCC[NH2+]C1)Nc1ccn(-c2ccc(Br)cc2)n1 ZINC000577473216 655460399 /nfs/dbraw/zinc/46/03/99/655460399.db2.gz OGNUHMLDNCQKRS-CYBMUJFWSA-N 1 0 392.301 3.146 20 0 GFADRO CC(C)[NH+]1CCC(O)(CNC(=O)[C@@H]2CCc3cc(Br)ccc32)CC1 ZINC000577636312 655463380 /nfs/dbraw/zinc/46/33/80/655463380.db2.gz PNTVZWMKPDOGPP-QGZVFWFLSA-N 1 0 395.341 2.830 20 0 GFADRO CC(C)(C)N1C[C@H]([NH2+]CCC(=O)Nc2cccc(Br)c2)CC1=O ZINC000577722584 655465668 /nfs/dbraw/zinc/46/56/68/655465668.db2.gz VCHJOBQXGUTTTM-CQSZACIVSA-N 1 0 382.302 2.767 20 0 GFADRO C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N(C)CCCN1CC[NH+](C)CC1 ZINC000264667972 655468225 /nfs/dbraw/zinc/46/82/25/655468225.db2.gz XREWMFRNLUBNBZ-AWEZNQCLSA-N 1 0 388.339 2.857 20 0 GFADRO C[NH+](C)CCNC(=O)c1ccc(CNC(=O)c2cc(Cl)c(Cl)[nH]2)cc1 ZINC000264716218 655469010 /nfs/dbraw/zinc/46/90/10/655469010.db2.gz BHABPBVIIDQUEH-UHFFFAOYSA-N 1 0 383.279 2.543 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+]CCN1CCCOCC1 ZINC000577944896 655469883 /nfs/dbraw/zinc/46/98/83/655469883.db2.gz ABQVLVIETVJSOY-UHFFFAOYSA-N 1 0 393.329 2.755 20 0 GFADRO COCCN1CC[C@H]([NH2+]Cc2nc(-c3cccc(Br)c3)c[nH]2)C1 ZINC000264769339 655470091 /nfs/dbraw/zinc/47/00/91/655470091.db2.gz QWSUSTYBJOBKPM-HNNXBMFYSA-N 1 0 379.302 2.650 20 0 GFADRO Brc1cccc(OCCN2CC[NH+](CC3CCOCC3)CC2)c1 ZINC000264807447 655470979 /nfs/dbraw/zinc/47/09/79/655470979.db2.gz ISFHCCWVDWEEJQ-UHFFFAOYSA-N 1 0 383.330 2.872 20 0 GFADRO CC[NH+](CC)CCCCNC(=O)CCNC(=O)c1ccc(Br)cc1 ZINC000264857654 655472357 /nfs/dbraw/zinc/47/23/57/655472357.db2.gz DFVNLUPFKGIGOZ-UHFFFAOYSA-N 1 0 398.345 2.807 20 0 GFADRO CS(=O)(=O)N1CC[C@H]([NH2+][C@@H]2CCc3c2cc(Br)cc3Cl)C1 ZINC000578136783 655473385 /nfs/dbraw/zinc/47/33/85/655473385.db2.gz CODPMFSKPHNRNK-IINYFYTJSA-N 1 0 393.734 2.713 20 0 GFADRO CC[NH+]1CCC(CNC(=O)C(=O)Nc2cc(C)cc(Br)c2)CC1 ZINC000578193601 655473823 /nfs/dbraw/zinc/47/38/23/655473823.db2.gz IARGPMBMGVBAEF-UHFFFAOYSA-N 1 0 382.302 2.544 20 0 GFADRO CN1CC[N@H+](C)C[C@@H]1CNCc1csc(COc2ccc(Cl)cc2)n1 ZINC000264947727 655474508 /nfs/dbraw/zinc/47/45/08/655474508.db2.gz JLCVSRILXNZFMS-INIZCTEOSA-N 1 0 380.945 2.711 20 0 GFADRO CCSCC[C@@H](C)NC(=O)C(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000578461805 655479562 /nfs/dbraw/zinc/47/95/62/655479562.db2.gz VJSYPKCGCKPHOT-CZUORRHYSA-N 1 0 385.961 2.707 20 0 GFADRO CC(C)[N@H+](C)CCNC(=O)C(=O)Nc1ccc(OC(F)(F)F)c(Cl)c1 ZINC000578625240 655483270 /nfs/dbraw/zinc/48/32/70/655483270.db2.gz DYQIFWKAIRHKJP-UHFFFAOYSA-N 1 0 381.782 2.634 20 0 GFADRO CCCN(C(=O)c1ncc(Br)cc1Br)[C@H]1CC[NH2+]C1 ZINC000578739640 655486070 /nfs/dbraw/zinc/48/60/70/655486070.db2.gz FWRVONXVSBIEKC-JTQLQIEISA-N 1 0 391.107 2.821 20 0 GFADRO C[C@]1(NC(=O)NCc2n[nH]cc2Br)CC[N@H+](Cc2ccccc2)C1 ZINC000578776985 655486763 /nfs/dbraw/zinc/48/67/63/655486763.db2.gz WJWKMJKWUPPMBM-KRWDZBQOSA-N 1 0 392.301 2.636 20 0 GFADRO C[C@@H]([NH2+]CCCC(=O)N(C)C)c1ccc(Br)cc1OCCCO ZINC000578784114 655486999 /nfs/dbraw/zinc/48/69/99/655486999.db2.gz ARKAWDKWAKUWEY-CYBMUJFWSA-N 1 0 387.318 2.729 20 0 GFADRO O[C@@H](C[NH2+]Cc1nc(-c2ccc(Br)cc2)c[nH]1)C1CCOCC1 ZINC000265638302 655487728 /nfs/dbraw/zinc/48/77/28/655487728.db2.gz UGRAHXPERMKGKX-INIZCTEOSA-N 1 0 380.286 2.716 20 0 GFADRO CS(=O)(=O)N1CCC([NH2+]Cc2cc3cc(Br)ccc3o2)CC1 ZINC000578884967 655488613 /nfs/dbraw/zinc/48/86/13/655488613.db2.gz XWLVQPGISSPPHX-UHFFFAOYSA-N 1 0 387.299 2.709 20 0 GFADRO Cc1cc(C(=O)N(C)CCC[N@@H+](C)CCN(C)C)c(Br)s1 ZINC000578935236 655489349 /nfs/dbraw/zinc/48/93/49/655489349.db2.gz DDBKOFWFEYDNIM-UHFFFAOYSA-N 1 0 376.364 2.775 20 0 GFADRO CS(=O)(=O)[C@H]1CCC[C@@H]([NH2+]Cc2cc3c(c(Br)c2)OCO3)C1 ZINC000265845818 655491839 /nfs/dbraw/zinc/49/18/39/655491839.db2.gz HETPZUGZUAQNIT-NEPJUHHUSA-N 1 0 390.299 2.623 20 0 GFADRO CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000579076293 655493141 /nfs/dbraw/zinc/49/31/41/655493141.db2.gz JVTHELMPDUJJME-JKSUJKDBSA-N 1 0 394.313 2.545 20 0 GFADRO Cc1ccc(Br)cc1C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000265991780 655494557 /nfs/dbraw/zinc/49/45/57/655494557.db2.gz DJRHTONIPWNYPD-UHFFFAOYSA-N 1 0 381.314 2.942 20 0 GFADRO O=C(Cn1cnc2c1CCCC2)N(CCO)Cc1cccc(Br)c1 ZINC000579187793 655495648 /nfs/dbraw/zinc/49/56/48/655495648.db2.gz OCDCMDBGFYOEAM-UHFFFAOYSA-N 1 0 392.297 2.546 20 0 GFADRO CCCN(CC[NH+](CC)CC)C(=O)C(=O)NCc1ccccc1Br ZINC000579364314 655498411 /nfs/dbraw/zinc/49/84/11/655498411.db2.gz CIRGAKWTTSPGNL-UHFFFAOYSA-N 1 0 398.345 2.646 20 0 GFADRO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+]C[C@@H](O)Cc2ccc(F)cc2)c1 ZINC000579702536 655502620 /nfs/dbraw/zinc/50/26/20/655502620.db2.gz WYLGNYSOJYTOJF-KRWDZBQOSA-N 1 0 385.888 2.966 20 0 GFADRO COc1ccc(Br)cc1CN(C)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000579816278 655504190 /nfs/dbraw/zinc/50/41/90/655504190.db2.gz LSXDJGOYWJRLCY-WOSRLPQWSA-N 1 0 396.329 2.987 20 0 GFADRO COc1ccc(Br)cc1CN(C)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000579816279 655504208 /nfs/dbraw/zinc/50/42/08/655504208.db2.gz LSXDJGOYWJRLCY-XJKCOSOUSA-N 1 0 396.329 2.987 20 0 GFADRO [NH3+]CC1(C(=O)N2CCN(Cc3cc(Br)ccc3F)CC2)CCCC1 ZINC000579942932 655505954 /nfs/dbraw/zinc/50/59/54/655505954.db2.gz UUEYYMZRMRJLRF-UHFFFAOYSA-N 1 0 398.320 2.752 20 0 GFADRO CSc1ccc([C@H](CNC(=O)Cn2cc(Br)cn2)[NH+](C)C)cc1 ZINC000580002265 655506531 /nfs/dbraw/zinc/50/65/31/655506531.db2.gz QNLLQBOITDNPIK-HNNXBMFYSA-N 1 0 397.342 2.787 20 0 GFADRO C[C@@H](Cc1c(Cl)cccc1Cl)NC(=O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000580183323 655509413 /nfs/dbraw/zinc/50/94/13/655509413.db2.gz FYTVWFZVYLVULK-RYUDHWBXSA-N 1 0 382.295 2.870 20 0 GFADRO C[NH+](C)C[C@H](NC(=O)[C@@H]1CS[C@@]2(C)CCC(=O)N12)c1ccc(Cl)cc1 ZINC000580200535 655510110 /nfs/dbraw/zinc/51/01/10/655510110.db2.gz XHIXLEQDXSDCRD-MPGHIAIKSA-N 1 0 381.929 2.513 20 0 GFADRO C[N@H+](CCn1cc(I)ccc1=O)Cc1ccc(F)cc1 ZINC000596309230 655515454 /nfs/dbraw/zinc/51/54/54/655515454.db2.gz SPWJZDJSXOTXHZ-UHFFFAOYSA-N 1 0 386.208 2.724 20 0 GFADRO C[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1c(Br)cnn1C ZINC000716185436 655523430 /nfs/dbraw/zinc/52/34/30/655523430.db2.gz LSGDSEJZLGLVCX-BBRMVZONSA-N 1 0 391.313 2.823 20 0 GFADRO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)c1csc(I)c1 ZINC000718881229 655524127 /nfs/dbraw/zinc/52/41/27/655524127.db2.gz ROKAGADLGHZNQE-WDEREUQCSA-N 1 0 376.263 2.661 20 0 GFADRO [NH3+]C[C@@H]1CN(Cc2ccc(I)cc2)C[C@@H]1C(F)(F)F ZINC000720818451 655524842 /nfs/dbraw/zinc/52/48/42/655524842.db2.gz VIEFNUVXINBQQW-PWSUYJOCSA-N 1 0 384.183 2.860 20 0 GFADRO Cc1ccc(C[NH2+]CC[C@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)s1 ZINC000721750976 655525127 /nfs/dbraw/zinc/52/51/27/655525127.db2.gz FEEHSGRUOZUBIL-HNNXBMFYSA-N 1 0 388.555 2.570 20 0 GFADRO C[C@H]([NH2+]CC[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O)c1cccs1 ZINC000721751557 655525145 /nfs/dbraw/zinc/52/51/45/655525145.db2.gz HGKZKXIRGOZNRS-KBPBESRZSA-N 1 0 388.555 2.823 20 0 GFADRO Cc1cc(C[NH2+]CC[C@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)cs1 ZINC000721752675 655525228 /nfs/dbraw/zinc/52/52/28/655525228.db2.gz MSAHCEVSDWIEKU-HNNXBMFYSA-N 1 0 388.555 2.570 20 0 GFADRO O=C(C[NH+]1CCC(C2OCCO2)CC1)NCCc1cccc(Cl)c1Cl ZINC000726789477 655538293 /nfs/dbraw/zinc/53/82/93/655538293.db2.gz GTDQLIASNWYUFU-UHFFFAOYSA-N 1 0 387.307 2.737 20 0 GFADRO O[C@@H](COc1cc(Cl)ccc1Cl)C[N@@H+]1CCCC[C@@H]1C1OCCO1 ZINC000728172326 655553465 /nfs/dbraw/zinc/55/34/65/655553465.db2.gz CKIGBZBTNKVYOE-UKRRQHHQSA-N 1 0 376.280 2.961 20 0 GFADRO O[C@@H](COc1ccc(Cl)cc1Cl)C[N@@H+]1CCCC[C@H]1C1OCCO1 ZINC000728173305 655553562 /nfs/dbraw/zinc/55/35/62/655553562.db2.gz XNHSXXUMDMNHJP-HIFRSBDPSA-N 1 0 376.280 2.961 20 0 GFADRO C[NH+](C)[C@H](CNS(=O)(=O)c1c(Cl)nc2sccn21)Cc1ccccc1 ZINC000728578003 655556613 /nfs/dbraw/zinc/55/66/13/655556613.db2.gz TVCUDAXUJCQUBE-ZDUSSCGKSA-N 1 0 398.941 2.500 20 0 GFADRO C[NH+](C)Cc1cccc(CNS(=O)(=O)c2c(Cl)nc3sccn32)c1 ZINC000728580188 655556804 /nfs/dbraw/zinc/55/68/04/655556804.db2.gz MCWLZCJQQIZTGL-UHFFFAOYSA-N 1 0 384.914 2.589 20 0 GFADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNS(=O)(=O)c2c(Cl)nc3sccn32)C1 ZINC000728582629 655557023 /nfs/dbraw/zinc/55/70/23/655557023.db2.gz VBFPYPHFOAOYPO-TXEJJXNPSA-N 1 0 390.962 2.696 20 0 GFADRO CS(=O)(=O)Cc1ccc(C[NH2+]C[C@H](O)c2ccc(Br)cc2)cc1 ZINC000728942722 655560422 /nfs/dbraw/zinc/56/04/22/655560422.db2.gz OFIDAENPTMYPJO-KRWDZBQOSA-N 1 0 398.322 2.817 20 0 GFADRO Cc1ccc(/C=C/C(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c(Br)c1 ZINC000730083123 655571529 /nfs/dbraw/zinc/57/15/29/655571529.db2.gz CIBJLSNNTGTEND-YQJUVHNHSA-N 1 0 393.325 2.828 20 0 GFADRO FC(F)(F)CNC(=S)NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000730436026 655575954 /nfs/dbraw/zinc/57/59/54/655575954.db2.gz JYIDPHMATOGYDQ-UHFFFAOYSA-N 1 0 394.894 2.879 20 0 GFADRO O=C(CCc1nc2cc(Cl)ccc2s1)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000730539774 655576214 /nfs/dbraw/zinc/57/62/14/655576214.db2.gz SHJFTDBEEVDJGR-KBPBESRZSA-N 1 0 379.913 2.862 20 0 GFADRO COCCS(=O)(=O)CCC[NH2+]C(C)(C)Cc1ccc(Br)cc1 ZINC000731847423 655587426 /nfs/dbraw/zinc/58/74/26/655587426.db2.gz ITBXAZZHOWFPAS-UHFFFAOYSA-N 1 0 392.359 2.811 20 0 GFADRO CC[C@@H](C)C[N@H+](C)CN1C(=O)C(=O)N(c2ccc(Br)cc2)C1=O ZINC000732182180 655592540 /nfs/dbraw/zinc/59/25/40/655592540.db2.gz FDBQLTDWYHEKQT-LLVKDONJSA-N 1 0 382.258 2.680 20 0 GFADRO O=C(NCCN1CCSCC1)c1csc(COc2ccc(F)cc2)n1 ZINC000732777502 655601481 /nfs/dbraw/zinc/60/14/81/655601481.db2.gz PNFRYYXJNGOKCV-UHFFFAOYSA-N 1 0 381.498 2.640 20 0 GFADRO CC(C)[C@@H](C[NH+](C)C)NC(=O)c1cc(=O)c2cc(Br)ccc2[nH]1 ZINC000733164484 655608542 /nfs/dbraw/zinc/60/85/42/655608542.db2.gz UUTIXHLVMKCDJJ-OAHLLOKOSA-N 1 0 380.286 2.607 20 0 GFADRO O=S(=O)(N1CCC(C[NH2+]Cc2csc(C3CC3)n2)CC1)C(F)(F)F ZINC000733326528 655612835 /nfs/dbraw/zinc/61/28/35/655612835.db2.gz IKUZZRZGDHXIKX-UHFFFAOYSA-N 1 0 383.461 2.672 20 0 GFADRO CN(C[C@H](O)c1cccc(Br)c1)C(=O)CCN(C)c1cc[nH+]cc1 ZINC000840509704 661167061 /nfs/dbraw/zinc/16/70/61/661167061.db2.gz PVDOQNGYYHHAMK-KRWDZBQOSA-N 1 0 392.297 2.862 20 0 GFADRO CC(C)[NH+]1CCC(NC(=O)COC(=O)c2cc(Cl)cc(Cl)c2N)CC1 ZINC000735962132 655656238 /nfs/dbraw/zinc/65/62/38/655656238.db2.gz ALUUJFQPJYUXEA-UHFFFAOYSA-N 1 0 388.295 2.721 20 0 GFADRO C[C@H]1C[C@H](N(C)C(=O)c2cn(-c3ccccc3Br)nn2)CC[N@@H+]1C ZINC000741590216 655706865 /nfs/dbraw/zinc/70/68/65/655706865.db2.gz DEVXORQTMXTKOP-QWHCGFSZSA-N 1 0 392.301 2.585 20 0 GFADRO C[C@H](NC(=O)/C=C\c1ccc(I)o1)C(C)(C)C[NH+](C)C ZINC000742185650 655711486 /nfs/dbraw/zinc/71/14/86/655711486.db2.gz RVQBZWFQRTVYAV-DVBBHNHCSA-N 1 0 390.265 2.990 20 0 GFADRO CC[NH+](CC)[C@@H]1CCN(C(=O)/C=C/c2ccc(I)o2)C1 ZINC000742902001 655723359 /nfs/dbraw/zinc/72/33/59/655723359.db2.gz UQKWCILLOYEQGQ-WAFBPQNNSA-N 1 0 388.249 2.840 20 0 GFADRO COC(=O)/C(C)=C/C[N@@H+]1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000746501577 655762859 /nfs/dbraw/zinc/76/28/59/655762859.db2.gz DLPPHJVQXVIWJZ-WHGQRRHOSA-N 1 0 396.285 2.614 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2C(=S)NCCSc1ccccc1 ZINC000746552363 655763830 /nfs/dbraw/zinc/76/38/30/655763830.db2.gz SMGLIJZCDZIOGN-KBAYOESNSA-N 1 0 379.595 2.837 20 0 GFADRO C[NH+]1CCC2(CCN2C(=O)c2csc(I)c2)CC1 ZINC000748326605 655789765 /nfs/dbraw/zinc/78/97/65/655789765.db2.gz YAAYCEBYNYAVLR-UHFFFAOYSA-N 1 0 376.263 2.663 20 0 GFADRO CCCCCC[N@H+](C)CC(=O)NCc1nc2cc(Br)cnc2[nH]1 ZINC000748340268 655789975 /nfs/dbraw/zinc/78/99/75/655789975.db2.gz WEJFGWDVRYRTCG-UHFFFAOYSA-N 1 0 382.306 2.849 20 0 GFADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@H](C)[C@H](O)c1ccc(F)cc1 ZINC000840722992 661178554 /nfs/dbraw/zinc/17/85/54/661178554.db2.gz MKQOYOWXXCACGH-QFSBIZTOSA-N 1 0 383.261 2.850 20 0 GFADRO O=C(Nc1ccc([S@@](=O)C(F)(F)F)cc1)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000750623840 655815759 /nfs/dbraw/zinc/81/57/59/655815759.db2.gz FOKPBKMAZGZXPK-YMXBGEKHSA-N 1 0 375.416 2.920 20 0 GFADRO CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)c2cc(Cl)c(Cl)[nH]2)CC1 ZINC000750860251 655818197 /nfs/dbraw/zinc/81/81/97/655818197.db2.gz ALZKAMRQFTYSHD-UHFFFAOYSA-N 1 0 389.327 2.678 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)[C@@H]1CSCN1C(=O)OC(C)(C)C)c1cccs1 ZINC000751295755 655824852 /nfs/dbraw/zinc/82/48/52/655824852.db2.gz UXNWDRDXWFHLIV-STQMWFEESA-N 1 0 385.555 2.777 20 0 GFADRO C[C@@H](NC(=S)NCC(C)(C)C[NH+](C)C)[C@H](O)c1c(F)cccc1Cl ZINC000751898970 655835806 /nfs/dbraw/zinc/83/58/06/655835806.db2.gz OJOIPKUAXSEZRM-ABAIWWIYSA-N 1 0 375.941 2.953 20 0 GFADRO C[C@H](NC(=S)NC1CC[NH+](C)CC1)[C@@H](O)c1c(Cl)cccc1Cl ZINC000751898010 655835809 /nfs/dbraw/zinc/83/58/09/655835809.db2.gz HPKJMEGAWYJSRX-ZUZCIYMTSA-N 1 0 376.353 2.974 20 0 GFADRO COC(=O)CC[N@H+](C[C@@H](O)c1ccccc1Br)C[C@H]1CCCO1 ZINC000751989422 655838019 /nfs/dbraw/zinc/83/80/19/655838019.db2.gz FJPIZPGKTZDTRQ-CZUORRHYSA-N 1 0 386.286 2.527 20 0 GFADRO COc1cc(C[C@H](CO)C[NH2+]Cc2c(Cl)nc(Cl)n2C)cc(OC)c1 ZINC000752264171 655841857 /nfs/dbraw/zinc/84/18/57/655841857.db2.gz BMJIKCOFLXNUQE-LBPRGKRZSA-N 1 0 388.295 2.685 20 0 GFADRO COC(=O)c1cc(C[NH2+]C[C@](O)(c2ccc(Cl)cc2)C(F)(F)F)c[nH]1 ZINC000753371304 655853161 /nfs/dbraw/zinc/85/31/61/655853161.db2.gz TVSHDXHZUWAAAN-HNNXBMFYSA-N 1 0 376.762 2.994 20 0 GFADRO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=S)NCC(F)(F)F ZINC000840861181 661196281 /nfs/dbraw/zinc/19/62/81/661196281.db2.gz SEYFFLOFIKWBPB-HUUCEWRRSA-N 1 0 375.460 2.550 20 0 GFADRO Cc1cc(Br)ncc1NC(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000754459011 655868187 /nfs/dbraw/zinc/86/81/87/655868187.db2.gz QWOZTKLSOYUBMG-UHFFFAOYSA-N 1 0 397.317 2.729 20 0 GFADRO CCOC(=O)C(F)(F)[C@H]1CCC[C@@H]([NH2+]CC2(CS(C)(=O)=O)CCC2)C1 ZINC000840891741 661199933 /nfs/dbraw/zinc/19/99/33/661199933.db2.gz ZXPNOVRMGRJLQX-UONOGXRCSA-N 1 0 381.485 2.548 20 0 GFADRO Cc1ccc(N2N=C(Br)C[C@@H]2C(=O)N[C@H](C)CC[NH+](C)C)cc1 ZINC000756103843 655895048 /nfs/dbraw/zinc/89/50/48/655895048.db2.gz VKXPVDISUFJQHM-UKRRQHHQSA-N 1 0 381.318 2.739 20 0 GFADRO CC[N@H+](CCNC(=O)c1cnc(Br)c(OC)c1)CCC(F)(F)F ZINC000756558946 655901975 /nfs/dbraw/zinc/90/19/75/655901975.db2.gz NZWVGXOYBOOTOD-UHFFFAOYSA-N 1 0 398.223 2.857 20 0 GFADRO CCC(=O)N1CCC([NH2+]CC(=O)Nc2cc(Br)ccc2C)CC1 ZINC000756896347 655906653 /nfs/dbraw/zinc/90/66/53/655906653.db2.gz IEFZCGCYIMGAQP-UHFFFAOYSA-N 1 0 382.302 2.687 20 0 GFADRO CC[C@@H](CNC(=O)c1cc(Br)nn1C)[N@@H+]1CCc2ccccc2C1 ZINC000757834368 655917398 /nfs/dbraw/zinc/91/73/98/655917398.db2.gz OLUSDGCOLDYIRQ-HNNXBMFYSA-N 1 0 391.313 2.749 20 0 GFADRO C[C@H](NC(=S)NCC[NH+](C)C)c1nc(-c2ccc(Br)cc2)no1 ZINC000760281151 655974206 /nfs/dbraw/zinc/97/42/06/655974206.db2.gz OTZNIQPSDKKVHQ-JTQLQIEISA-N 1 0 398.330 2.586 20 0 GFADRO C[NH+]1CCC(CNC(=S)NC[C@H]2CCN(c3ccc(Cl)cc3)C2)CC1 ZINC000760476349 655982141 /nfs/dbraw/zinc/98/21/41/655982141.db2.gz NAOQBPSARYICMY-MRXNPFEDSA-N 1 0 380.989 2.972 20 0 GFADRO C[C@@H](C[NH+]1CCOCC1)C(=O)NCC[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC000760736442 655990785 /nfs/dbraw/zinc/99/07/85/655990785.db2.gz IFEFQGYAKVJNCU-LRDDRELGSA-N 1 0 375.296 2.501 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@@H](N2C(=O)N[C@H](c3ccc(Br)cc3)C2=O)C1 ZINC000761321488 656011604 /nfs/dbraw/zinc/01/16/04/656011604.db2.gz QUZMIVGWJZUYJI-RBSFLKMASA-N 1 0 380.286 2.915 20 0 GFADRO O=S(=O)(N1CCC(C[NH2+]Cc2cnc(C3CC3)s2)CC1)C(F)(F)F ZINC000761971498 656026865 /nfs/dbraw/zinc/02/68/65/656026865.db2.gz ZUPQZMNCFBXSCI-UHFFFAOYSA-N 1 0 383.461 2.672 20 0 GFADRO C[C@H](C1=CC[N@H+](C)CC1)N1C(=O)N[C@H](c2ccc(Br)cc2)C1=O ZINC000762315522 656038835 /nfs/dbraw/zinc/03/88/35/656038835.db2.gz JJSFBMDLAYSBTO-IAQYHMDHSA-N 1 0 378.270 2.692 20 0 GFADRO COC1CC[NH+](C(C)(C)CNC(=O)N[C@@H]2CC[C@H]3SCCS[C@@H]23)CC1 ZINC000762573059 656049616 /nfs/dbraw/zinc/04/96/16/656049616.db2.gz NISUDOXJJUWMPB-OAGGEKHMSA-N 1 0 387.615 2.555 20 0 GFADRO O=S(=O)(CC[NH2+]Cc1cc(Br)cc(Br)c1)C1CC1 ZINC000840965306 661221954 /nfs/dbraw/zinc/22/19/54/661221954.db2.gz BWRLKGBPNPBMJF-UHFFFAOYSA-N 1 0 397.132 2.878 20 0 GFADRO C[C@H]1C[N@H+](CCCNC(=O)N2Cc3ccc(Br)cc3C2)CCCO1 ZINC000764577459 656113780 /nfs/dbraw/zinc/11/37/80/656113780.db2.gz QCLIZOHEPZLLRP-AWEZNQCLSA-N 1 0 396.329 2.975 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)Nc3cc4c(cc3Br)OCCO4)C[C@@H]21 ZINC000841016656 661228339 /nfs/dbraw/zinc/22/83/39/661228339.db2.gz WDWYTOFKXLSBDD-NTZNESFSSA-N 1 0 396.285 2.811 20 0 GFADRO Cc1n[nH]c(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)c1Br ZINC000765806612 656152682 /nfs/dbraw/zinc/15/26/82/656152682.db2.gz DAXPCZOWAANTIA-BXUZGUMPSA-N 1 0 377.286 2.731 20 0 GFADRO CCN(CC)S(=O)(=O)c1ccc(C[NH2+]C2CCC3(CC2)OCCO3)s1 ZINC000765928655 656155208 /nfs/dbraw/zinc/15/52/08/656155208.db2.gz YPSMIQCLUMPNKL-UHFFFAOYSA-N 1 0 388.555 2.554 20 0 GFADRO COc1cc([C@@H](C)[NH2+]CCN2CCC[C@@H]2C)ccc1S(=O)(=O)C(F)F ZINC000766268423 656166926 /nfs/dbraw/zinc/16/69/26/656166926.db2.gz KZFRDPJMMBMYFU-QWHCGFSZSA-N 1 0 376.469 2.826 20 0 GFADRO CC[N@@H+]1C[C@H](C)N(C(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)C[C@H]1C ZINC000766310725 656168321 /nfs/dbraw/zinc/16/83/21/656168321.db2.gz KZHOJEPLAXXTSS-NEPJUHHUSA-N 1 0 375.441 2.629 20 0 GFADRO C[NH+](C)CCCC1CCN(C(=O)c2sccc2S(=O)(=O)C(F)F)CC1 ZINC000766553203 656175711 /nfs/dbraw/zinc/17/57/11/656175711.db2.gz PRUZKDVROFYPDP-UHFFFAOYSA-N 1 0 394.509 2.938 20 0 GFADRO C[C@@H](CNC(=O)N[C@H](CO)c1cccc(Br)c1)[NH+]1CCCCC1 ZINC000766881096 656186936 /nfs/dbraw/zinc/18/69/36/656186936.db2.gz YWGDSKOWCIDQAE-XJKSGUPXSA-N 1 0 384.318 2.656 20 0 GFADRO CS[C@@H]1CN(S(=O)(=O)c2ccc3nc(Cl)sc3c2)C[C@@H]1[NH+](C)C ZINC000767315053 656199539 /nfs/dbraw/zinc/19/95/39/656199539.db2.gz KNIFQESQPYWPRC-WCQYABFASA-N 1 0 391.971 2.616 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)Nc2ccccc2SC(F)(F)F)C1 ZINC000841178894 661241689 /nfs/dbraw/zinc/24/16/89/661241689.db2.gz IMBHZQCWTKKBCG-WDEREUQCSA-N 1 0 375.416 2.823 20 0 GFADRO COc1cc(S(=O)(=O)N2CCC[C@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)cnc1Cl ZINC000767720139 656216792 /nfs/dbraw/zinc/21/67/92/656216792.db2.gz GLWQSFNLBWZXIE-MJBXVCDLSA-N 1 0 387.933 2.770 20 0 GFADRO O=C(/C=C\c1ccc(Br)o1)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000768584199 656242928 /nfs/dbraw/zinc/24/29/28/656242928.db2.gz UFDNRCDTRPGKNA-AJKQWTFCSA-N 1 0 397.313 2.939 20 0 GFADRO C[C@H]1CN(C(=O)C(=O)Nc2cccc(Cl)c2SC(F)F)CC[C@H]1[NH3+] ZINC000841179829 661242026 /nfs/dbraw/zinc/24/20/26/661242026.db2.gz SDXUYEQGSXSDRV-WCBMZHEXSA-N 1 0 377.844 2.789 20 0 GFADRO Cc1ccc(F)c(NC(=O)C(=O)N(C)C2CCC([NH3+])CC2)c1Br ZINC000841188753 661242893 /nfs/dbraw/zinc/24/28/93/661242893.db2.gz FYHZSCXOHDDBFT-UHFFFAOYSA-N 1 0 386.265 2.563 20 0 GFADRO Ic1ccccc1CN1CC[NH+](C2CCOCC2)CC1 ZINC000769469482 656277294 /nfs/dbraw/zinc/27/72/94/656277294.db2.gz ZAOWLVIYXGENDE-UHFFFAOYSA-N 1 0 386.277 2.588 20 0 GFADRO C[C@H](CCN1CC[NH+](C)CC1)NC(=S)Nc1ccc(Br)cc1 ZINC000769765466 656290655 /nfs/dbraw/zinc/29/06/55/656290655.db2.gz HNADJMMQTQVLJY-CYBMUJFWSA-N 1 0 385.375 2.762 20 0 GFADRO O=C(NC[C@H]1CC1(Cl)Cl)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000769978456 656302731 /nfs/dbraw/zinc/30/27/31/656302731.db2.gz VZRYISXNBPFQDH-CQSZACIVSA-N 1 0 384.307 2.573 20 0 GFADRO C[C@H](CC(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccc(Br)cc1 ZINC000770274660 656314160 /nfs/dbraw/zinc/31/41/60/656314160.db2.gz KTZGHQZZNXGSMA-XYPHTWIQSA-N 1 0 381.314 2.922 20 0 GFADRO CCC[NH+]1CCN(c2ccc(N[C@H]3CCCS(=O)(=O)C3)cc2Cl)CC1 ZINC000770509385 656321476 /nfs/dbraw/zinc/32/14/76/656321476.db2.gz KWLKRYBVFWFSFH-INIZCTEOSA-N 1 0 385.961 2.861 20 0 GFADRO CN1CC[NH+](CCC(C)(C)NC(=O)/C=C/c2ccc(Br)o2)CC1 ZINC000771659672 656359364 /nfs/dbraw/zinc/35/93/64/656359364.db2.gz AZOREGKOUQGBDI-FNORWQNLSA-N 1 0 384.318 2.588 20 0 GFADRO COc1ccc2nc(Cl)ccc2c1S(=O)(=O)N1CCC[C@@H]1C[NH+](C)C ZINC000771958029 656368282 /nfs/dbraw/zinc/36/82/82/656368282.db2.gz BVQVLQODHFYRJV-GFCCVEGCSA-N 1 0 383.901 2.612 20 0 GFADRO NC(=O)NC(=O)OCCC[N@@H+]1CCC[C@H]1Cc1ccc(Br)cc1 ZINC000772173650 656374345 /nfs/dbraw/zinc/37/43/45/656374345.db2.gz CRLLBANBVZAZME-AWEZNQCLSA-N 1 0 384.274 2.651 20 0 GFADRO CN(C(=O)c1cc[nH]c(=O)c1Br)c1ccc(OCC[NH+](C)C)cc1 ZINC000772251729 656375913 /nfs/dbraw/zinc/37/59/13/656375913.db2.gz DRGOJALCQKWRBW-UHFFFAOYSA-N 1 0 394.269 2.767 20 0 GFADRO CN(CC1CC[NH+](C)CC1)C(=O)c1cc(=O)c2cc(Br)ccc2o1 ZINC000841389975 661257951 /nfs/dbraw/zinc/25/79/51/661257951.db2.gz NHZGKQCLQHLKBA-UHFFFAOYSA-N 1 0 393.281 2.969 20 0 GFADRO O=S(=O)(CC[NH2+][C@@H]1CCCc2c3ccccc3sc21)N1CCOCC1 ZINC000772960959 656395838 /nfs/dbraw/zinc/39/58/38/656395838.db2.gz LXUQMNOIJWPRII-MRXNPFEDSA-N 1 0 380.535 2.530 20 0 GFADRO CC1(C[NH2+][C@H]2CCCOc3ccc(I)cc32)OCCO1 ZINC000773140952 656400959 /nfs/dbraw/zinc/40/09/59/656400959.db2.gz XXEDQIVJTJNOTF-ZDUSSCGKSA-N 1 0 389.233 2.858 20 0 GFADRO O=C([C@H](O)c1cc(Cl)cc(Cl)c1)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000773420463 656445239 /nfs/dbraw/zinc/44/52/39/656445239.db2.gz YDQOJBGRZGKZKO-IAGOWNOFSA-N 1 0 387.307 2.740 20 0 GFADRO COC[C@H](C)OC[C@@H](O)C[N@@H+]1CCC[C@H]1Cc1ccc(Br)cc1 ZINC000773525106 656456089 /nfs/dbraw/zinc/45/60/89/656456089.db2.gz JNTJZMDUKXFYGO-WBAXXEDZSA-N 1 0 386.330 2.868 20 0 GFADRO C[N@H+](CCOC(=O)Cc1cc[nH]c(=O)c1Br)Cc1ccc(F)cc1 ZINC000773632459 656463059 /nfs/dbraw/zinc/46/30/59/656463059.db2.gz KYWSGUWESQBAPA-UHFFFAOYSA-N 1 0 397.244 2.907 20 0 GFADRO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)Nc1cccnc1Br ZINC000774251518 656509099 /nfs/dbraw/zinc/50/90/99/656509099.db2.gz LQXJIHNDOGXDHQ-ZDUSSCGKSA-N 1 0 397.317 2.553 20 0 GFADRO C[C@@H]([NH2+][C@H]1CCN(CCN2CCOCC2)C1)c1cc(Cl)c(N)c(Cl)c1 ZINC000774410634 656527069 /nfs/dbraw/zinc/52/70/69/656527069.db2.gz BZDCEASFZWVUKL-HIFRSBDPSA-N 1 0 387.355 2.633 20 0 GFADRO CC(C)(C)OC(=O)N1CCN(CC[NH2+][C@@H]2CC[C@H]3SCCS[C@H]23)CC1 ZINC000775379725 656634527 /nfs/dbraw/zinc/63/45/27/656634527.db2.gz JPBOZVXBBGVKHR-BZUAXINKSA-N 1 0 387.615 2.508 20 0 GFADRO COC(=O)/C=C1\SCC(=O)N1CCC[NH2+]C1(c2ccc(Cl)cc2)CC1 ZINC000775414027 656638203 /nfs/dbraw/zinc/63/82/03/656638203.db2.gz CPWRXAVJEBPSPH-WJDWOHSUSA-N 1 0 380.897 2.899 20 0 GFADRO Cc1cc2ncn(C[C@H](O)C[NH2+][C@@H]3CC[C@@H]4SCCS[C@H]34)c2cc1C ZINC000775409055 656638212 /nfs/dbraw/zinc/63/82/12/656638212.db2.gz MGYYFUGSGGPAGF-VVWQDTPRSA-N 1 0 377.579 2.983 20 0 GFADRO O=S1(=O)CC[C@H]([NH2+]C[C@@H](O)c2ccccc2)c2cc(Br)ccc21 ZINC000775483198 656642377 /nfs/dbraw/zinc/64/23/77/656642377.db2.gz OUHPZDRPCQWOET-JKSUJKDBSA-N 1 0 396.306 2.991 20 0 GFADRO CS[C@@H]1CN(C[C@H](O)c2ccc(F)c(Br)c2)C[C@H]1[NH+](C)C ZINC000775646454 656659218 /nfs/dbraw/zinc/65/92/18/656659218.db2.gz HETJFWARJTVGFY-QLFBSQMISA-N 1 0 377.323 2.599 20 0 GFADRO COc1ccc(NC2CC[NH+](CCN3CCOCC3)CC2)c(Br)c1 ZINC000777706582 656832649 /nfs/dbraw/zinc/83/26/49/656832649.db2.gz HZAOMSYCTYWWTG-UHFFFAOYSA-N 1 0 398.345 2.666 20 0 GFADRO CC[NH+](CC)CCN(CCOC)C(=O)c1cc(Br)ncc1Cl ZINC000779766243 656941288 /nfs/dbraw/zinc/94/12/88/656941288.db2.gz JSMXSSLQIZEOBY-UHFFFAOYSA-N 1 0 392.725 2.928 20 0 GFADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)c1cc(C(F)(F)F)cnc1Cl ZINC000779844501 656948763 /nfs/dbraw/zinc/94/87/63/656948763.db2.gz LGZOBSZUJCEUOU-LLVKDONJSA-N 1 0 378.826 2.510 20 0 GFADRO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NCCSCc1ccnc(Cl)c1 ZINC000780723788 657026483 /nfs/dbraw/zinc/02/64/83/657026483.db2.gz HRCJEVDLZNPDIR-QGZVFWFLSA-N 1 0 385.961 2.878 20 0 GFADRO CC[NH+](CC)CCO[C@H]1CCN(S(=O)(=O)c2cccc(C(F)F)c2)C1 ZINC000780804537 657030424 /nfs/dbraw/zinc/03/04/24/657030424.db2.gz MTZCDJKFZBCVFN-HNNXBMFYSA-N 1 0 376.469 2.746 20 0 GFADRO C[C@@H]1CCC[N@@H+]1CCNS(=O)(=O)c1cc(Br)sc1Cl ZINC000780867909 657033720 /nfs/dbraw/zinc/03/37/20/657033720.db2.gz OGIBOCZZPHAGRK-MRVPVSSYSA-N 1 0 387.752 2.927 20 0 GFADRO COc1ccc(OC)c([C@H](O)C[NH2+][C@H](CO)c2ccc(Br)cc2)c1 ZINC000782077899 657100667 /nfs/dbraw/zinc/10/06/67/657100667.db2.gz IIOARHKEUUHLPQ-IAGOWNOFSA-N 1 0 396.281 2.823 20 0 GFADRO O[C@@H](COc1cc(F)cc(Br)c1)C[NH+]1CCC(n2cccn2)CC1 ZINC000783962596 657277964 /nfs/dbraw/zinc/27/79/64/657277964.db2.gz WQULADMXNKDFQA-MRXNPFEDSA-N 1 0 398.276 2.862 20 0 GFADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1S(=O)(=O)/C=C\c1ccccc1Cl ZINC000785311375 657354159 /nfs/dbraw/zinc/35/41/59/657354159.db2.gz QRVMMVJDVGTRCS-JEMSNHSXSA-N 1 0 384.929 2.826 20 0 GFADRO Cn1nc(Br)cc1C[NH2+]CCCC(=O)N1Cc2ccccc2C1 ZINC000785470448 657366594 /nfs/dbraw/zinc/36/65/94/657366594.db2.gz PRYNZGVZYWPPAQ-UHFFFAOYSA-N 1 0 377.286 2.595 20 0 GFADRO CC(C)[NH+]1CCC(NC(=O)COC(=O)c2c(Cl)ccc(Cl)c2N)CC1 ZINC000785618903 657378524 /nfs/dbraw/zinc/37/85/24/657378524.db2.gz ARALSCXDSIFDOQ-UHFFFAOYSA-N 1 0 388.295 2.721 20 0 GFADRO CC(C)[C@@H](C(=O)Nc1ccc(N2CCN(C)CC2)c(Br)c1)[NH+](C)C ZINC000787670296 657584587 /nfs/dbraw/zinc/58/45/87/657584587.db2.gz MOQKAVFXQQGFEC-KRWDZBQOSA-N 1 0 397.361 2.726 20 0 GFADRO COc1cc(C(=O)N[C@@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)cnc1Br ZINC000788173549 657666856 /nfs/dbraw/zinc/66/68/56/657666856.db2.gz DYFLSRQDLPRWJZ-XQQFMLRXSA-N 1 0 384.318 2.949 20 0 GFADRO C[C@@H](Sc1nc2ccccc2s1)C(=O)N1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000788205177 657670468 /nfs/dbraw/zinc/67/04/68/657670468.db2.gz MVDIVSZIFNRZBQ-FZKQIMNGSA-N 1 0 379.551 2.692 20 0 GFADRO COc1cc(C(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)cnc1Br ZINC000788222542 657676318 /nfs/dbraw/zinc/67/63/18/657676318.db2.gz FZCRRSHELLQLSJ-ZDUSSCGKSA-N 1 0 382.302 2.801 20 0 GFADRO O=S1(=O)CCCN1[C@@H]1CCC[N@H+](Cn2ccc(=S)c3ccccc32)C1 ZINC000788387714 657706414 /nfs/dbraw/zinc/70/64/14/657706414.db2.gz OULITIXABRCUGV-OAHLLOKOSA-N 1 0 377.535 2.828 20 0 GFADRO CCC[NH+]1CCC(NS(=O)(=O)c2sc(C(=O)OC)c(Cl)c2C)CC1 ZINC000788585286 657747403 /nfs/dbraw/zinc/74/74/03/657747403.db2.gz PRPXRZZXKUVPGF-UHFFFAOYSA-N 1 0 394.946 2.649 20 0 GFADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@@H](C)[C@H](O)c1cccc(F)c1 ZINC000788666787 657768183 /nfs/dbraw/zinc/76/81/83/657768183.db2.gz SSWBWVGIFWKXFE-PEBVRCNWSA-N 1 0 383.261 2.850 20 0 GFADRO C[C@H]([NH2+]CCOc1ccc(S(=O)(=O)C(F)(F)F)cc1)[C@@]1(C)CCCO1 ZINC000788690140 657774828 /nfs/dbraw/zinc/77/48/28/657774828.db2.gz WHGLQYZEFHYQNN-SWLSCSKDSA-N 1 0 381.416 2.906 20 0 GFADRO O=C(COC(=O)Cc1cccc(Cl)c1Cl)NC1CC[NH+](C2CC2)CC1 ZINC000789246858 657832218 /nfs/dbraw/zinc/83/22/18/657832218.db2.gz YGFRFNFNLWCMPU-UHFFFAOYSA-N 1 0 385.291 2.822 20 0 GFADRO C[C@@H]1CCC[N@@H+]1CCNS(=O)(=O)c1cccc(Br)c1Cl ZINC000790292720 657949091 /nfs/dbraw/zinc/94/90/91/657949091.db2.gz QZWHAHONBCBTGZ-SNVBAGLBSA-N 1 0 381.723 2.865 20 0 GFADRO COCCN(Cc1sccc1Br)C(=S)NCCC[NH+](C)C ZINC000790352876 657957171 /nfs/dbraw/zinc/95/71/71/657957171.db2.gz CREPVSGTYIBAKD-UHFFFAOYSA-N 1 0 394.404 2.785 20 0 GFADRO COc1cc(Cl)c(S(=O)(=O)NC[C@@H](C)[NH+]2CCCCC2)cc1OC ZINC000790351158 657957366 /nfs/dbraw/zinc/95/73/66/657957366.db2.gz RAVAAUJQEPIHQK-GFCCVEGCSA-N 1 0 376.906 2.510 20 0 GFADRO CN(Cc1ccc(Br)cc1)CN1C[C@]2(C[NH+]3CCC2CC3)OC1=O ZINC000790360635 657959358 /nfs/dbraw/zinc/95/93/58/657959358.db2.gz LJBFIVFXEKJAOS-SFHVURJKSA-N 1 0 394.313 2.755 20 0 GFADRO COCC1CC[NH+](Cn2ncc3c2ccc(Br)c3C(=O)OC)CC1 ZINC000790444663 657980511 /nfs/dbraw/zinc/98/05/11/657980511.db2.gz CMVZAQHBHNKKEZ-UHFFFAOYSA-N 1 0 396.285 2.901 20 0 GFADRO Cc1nn(C)c(C[NH2+]C[C@H]2CCCN2C(=O)OC(C)(C)C)c1Br ZINC000790470916 657988510 /nfs/dbraw/zinc/98/85/10/657988510.db2.gz NXWOEHHZQJNKMR-GFCCVEGCSA-N 1 0 387.322 2.980 20 0 GFADRO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)CN1C(=S)N=NC1c1cccs1 ZINC000791059320 658056830 /nfs/dbraw/zinc/05/68/30/658056830.db2.gz HQECGPWUOJTYPB-CYBMUJFWSA-N 1 0 379.555 2.532 20 0 GFADRO O=C(Cc1cccnc1Br)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000791327594 658081173 /nfs/dbraw/zinc/08/11/73/658081173.db2.gz UMPPZFPPTNFJAF-UHFFFAOYSA-N 1 0 389.297 2.562 20 0 GFADRO COc1ccc(Cl)cc1NC(=S)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000792671737 658308320 /nfs/dbraw/zinc/30/83/20/658308320.db2.gz HNPGATJQXWVBQT-UHFFFAOYSA-N 1 0 382.961 2.759 20 0 GFADRO CC(C)[C@@H](CC[N@H+](C)C[C@@H]1CCCS(=O)(=O)C1)NC(=O)OC(C)(C)C ZINC000792870969 658325165 /nfs/dbraw/zinc/32/51/65/658325165.db2.gz KJWSYJGTAPBBRP-JKSUJKDBSA-N 1 0 376.563 2.682 20 0 GFADRO Cc1nc(SC(F)F)sc1CC(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1 ZINC000793437142 658396073 /nfs/dbraw/zinc/39/60/73/658396073.db2.gz SQCLGXGWPHNUDY-LBPRGKRZSA-N 1 0 393.525 2.878 20 0 GFADRO O=C(Cc1cccnc1Br)Nc1cccc(C[N@H+]2CC[C@@H](O)C2)c1 ZINC000794565553 658562030 /nfs/dbraw/zinc/56/20/30/658562030.db2.gz ABVUQMXTCUKFLO-MRXNPFEDSA-N 1 0 390.281 2.592 20 0 GFADRO CCN(c1ccc(Cl)cc1)S(=O)(=O)c1c(C)nn(CC[NH+](C)C)c1C ZINC000795086403 658668859 /nfs/dbraw/zinc/66/88/59/658668859.db2.gz UOOVTPKCSTVUBN-UHFFFAOYSA-N 1 0 384.933 2.930 20 0 GFADRO O=C1c2c(cccc2Br)CN1CN1CC[C@H](C[NH+]2CCCC2)C1 ZINC000795430730 658818432 /nfs/dbraw/zinc/81/84/32/658818432.db2.gz GLXKDZWGBPNSBU-CQSZACIVSA-N 1 0 378.314 2.780 20 0 GFADRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2CN2Cc3cccc(Br)c3C2=O)C1 ZINC000795438265 658818859 /nfs/dbraw/zinc/81/88/59/658818859.db2.gz RVFKANJEDNATMB-CZUORRHYSA-N 1 0 378.314 2.779 20 0 GFADRO CC[NH+](CC)CCNC(=O)c1ccc(OS(=O)(=O)c2ccsc2)cc1 ZINC000795844711 658857149 /nfs/dbraw/zinc/85/71/49/658857149.db2.gz XKWVADVJTNAZRO-UHFFFAOYSA-N 1 0 382.507 2.587 20 0 GFADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1cc(F)c(Br)c(Cl)c1 ZINC000795851735 658859648 /nfs/dbraw/zinc/85/96/48/658859648.db2.gz VCILTRJEMIORKC-GHMZBOCLSA-N 1 0 391.668 2.835 20 0 GFADRO COC(=O)[C@@]1(C(F)(F)F)CC[N@H+](C[C@@H](O)c2ccc(Br)cc2)C1 ZINC000796290621 658911138 /nfs/dbraw/zinc/91/11/38/658911138.db2.gz BCJSNOQZXSWBGC-TZMCWYRMSA-N 1 0 396.203 2.910 20 0 GFADRO C[NH+](C)[C@]1(CNC(=O)c2cnn(Cc3ccccc3)c2Cl)CCSC1 ZINC000796932791 658951975 /nfs/dbraw/zinc/95/19/75/658951975.db2.gz LGRPPDBIDTWBRO-SFHVURJKSA-N 1 0 378.929 2.752 20 0 GFADRO O=C(C[NH2+][C@H]1CCCc2n[nH]cc21)Nc1ccc(I)cc1 ZINC000796993556 658959129 /nfs/dbraw/zinc/95/91/29/658959129.db2.gz IFSDGFOAYPZHFI-ZDUSSCGKSA-N 1 0 396.232 2.620 20 0 GFADRO CC1=C(Br)CN(C(=O)NC2CC[NH+](CCOC(C)C)CC2)CC1 ZINC000797469190 659027648 /nfs/dbraw/zinc/02/76/48/659027648.db2.gz VGPBMGUCAAFEQR-UHFFFAOYSA-N 1 0 388.350 2.960 20 0 GFADRO Nc1nc(N2CCC[C@H](OC(=O)c3cc(F)cc(Br)c3)C2)cc[nH+]1 ZINC000798203398 659081186 /nfs/dbraw/zinc/08/11/86/659081186.db2.gz YTFAQSBNPKRBPC-ZDUSSCGKSA-N 1 0 395.232 2.786 20 0 GFADRO C[NH+]1CCC2(CCCN(S(=O)(=O)c3ccc(Br)o3)C2)CC1 ZINC000798466761 659109447 /nfs/dbraw/zinc/10/94/47/659109447.db2.gz SRJLYMCGMKPPDO-UHFFFAOYSA-N 1 0 377.304 2.539 20 0 GFADRO COCCNc1nn(CN2CCC[C@@H]2[C@@H]2C[C@H](C)CC[C@H]2O)c(=S)s1 ZINC000799157185 659168924 /nfs/dbraw/zinc/16/89/24/659168924.db2.gz QCIWBFFUMGCMCV-LXTVHRRPSA-N 1 0 386.587 2.951 20 0 GFADRO COC(=O)c1nn(CN2CC[C@@H](c3ccccn3)C2)c(C)c1Br ZINC000799157844 659168969 /nfs/dbraw/zinc/16/89/69/659168969.db2.gz BXWKFTFMROTZNI-GFCCVEGCSA-N 1 0 379.258 2.583 20 0 GFADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)N2CCC=C(Br)C2)[C@H](C)C1 ZINC000799371307 659185041 /nfs/dbraw/zinc/18/50/41/659185041.db2.gz GZJWYFIENSTPJU-ZBFHGGJFSA-N 1 0 388.350 2.818 20 0 GFADRO Fc1ccc(Br)c2nccc(NC[C@H]3C[N@@H+]4CCC[C@H]4CO3)c12 ZINC000799933932 659246056 /nfs/dbraw/zinc/24/60/56/659246056.db2.gz GPVMNLAGCTTWGB-RYUDHWBXSA-N 1 0 380.261 2.833 20 0 GFADRO O=C(OCCC[NH+]1CCCC1)[C@H]1CCN(c2ccccc2Br)C1=O ZINC000800140514 659276076 /nfs/dbraw/zinc/27/60/76/659276076.db2.gz DWUHRRADTKTCCO-AWEZNQCLSA-N 1 0 395.297 2.831 20 0 GFADRO CC(C)(C)OC(=O)Nc1ncc(C[NH2+][C@@H]2CCC[C@@H](S(C)(=O)=O)C2)s1 ZINC000800241355 659295551 /nfs/dbraw/zinc/29/55/51/659295551.db2.gz NDKCZIBFJPJWQW-DGCLKSJQSA-N 1 0 389.543 2.936 20 0 GFADRO CC(C)(C)OC(=O)N1CC(C[NH2+][C@@H](CO)c2ccc(Br)cc2)C1 ZINC000800370532 659305189 /nfs/dbraw/zinc/30/51/89/659305189.db2.gz JEANDXXUWCHSFD-HNNXBMFYSA-N 1 0 385.302 2.939 20 0 GFADRO Cc1cc(Br)ncc1NC(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000800546539 659316443 /nfs/dbraw/zinc/31/64/43/659316443.db2.gz JJGQCFOAVBCFRZ-AWEZNQCLSA-N 1 0 397.317 2.729 20 0 GFADRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)NC[C@H](O)c2cccc(Br)c2)C1 ZINC000800705485 659327762 /nfs/dbraw/zinc/32/77/62/659327762.db2.gz MSMHIOFLQCGWHI-YOEHRIQHSA-N 1 0 398.345 2.902 20 0 GFADRO C[C@H](CNS(=O)(=O)c1cc2c(cc1Cl)CCC2=O)C[NH+]1CCCCC1 ZINC000800900818 659344976 /nfs/dbraw/zinc/34/49/76/659344976.db2.gz ILUMKXNPGPIMJE-CYBMUJFWSA-N 1 0 384.929 2.869 20 0 GFADRO C[C@@H](CNC(=O)NC[C@@H](O)c1cccc(Br)c1)C[NH+]1CCCCC1 ZINC000801754849 659423630 /nfs/dbraw/zinc/42/36/30/659423630.db2.gz LBTCDIMOUOQPHX-WMLDXEAASA-N 1 0 398.345 2.904 20 0 GFADRO CCN1CC[C@H]([NH2+]CCS(=O)(=O)C(C)C)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000801955782 659436358 /nfs/dbraw/zinc/43/63/58/659436358.db2.gz RKMJPUHTGNEAPQ-DOTOQJQBSA-N 1 0 378.460 2.652 20 0 GFADRO C[N@@H+]1CCC[C@H]2CN(CN3Cc4c(cccc4Br)C3=O)CC[C@H]21 ZINC000802732187 659500055 /nfs/dbraw/zinc/50/00/55/659500055.db2.gz BOQQEHQZJBLMJC-SUMWQHHRSA-N 1 0 378.314 2.779 20 0 GFADRO Brc1cnc(Br)c(NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)c1 ZINC000804396177 659642347 /nfs/dbraw/zinc/64/23/47/659642347.db2.gz DACZBEQXCLNYQU-WDEREUQCSA-N 1 0 391.107 2.882 20 0 GFADRO CCC[N@@H+]1CCC[C@H]1CNC(=O)C[C@](O)(c1nc(C)cs1)C(F)(F)F ZINC000804775682 659682419 /nfs/dbraw/zinc/68/24/19/659682419.db2.gz LWPMKTJEGKRDIQ-WFASDCNBSA-N 1 0 379.448 2.582 20 0 GFADRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F ZINC000805111175 659741425 /nfs/dbraw/zinc/74/14/25/659741425.db2.gz SLUAFBUZDRNPJL-IUCAKERBSA-N 1 0 384.370 2.629 20 0 GFADRO O=C(CCC[NH+]1CCN(c2ccccc2)CC1)NCC(F)(F)Br ZINC000805247303 659759889 /nfs/dbraw/zinc/75/98/89/659759889.db2.gz HGCXRKOINIQTGV-UHFFFAOYSA-N 1 0 390.272 2.693 20 0 GFADRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)[C@H]1Cc2cc(Br)ccc2O1 ZINC000805334199 659766934 /nfs/dbraw/zinc/76/69/34/659766934.db2.gz WAMOKSCPYULIHO-ISTRZQFTSA-N 1 0 379.298 2.838 20 0 GFADRO O=S(=O)(N1CCC([NH2+][C@H]2CCc3nc(Cl)ccc32)CC1)C(F)(F)F ZINC000806144436 659826291 /nfs/dbraw/zinc/82/62/91/659826291.db2.gz QIGIOUSTGBFYGO-NSHDSACASA-N 1 0 383.823 2.626 20 0 GFADRO CCOC(=O)C(F)(F)[C@H]1CC[C@H]([NH2+]CCCn2cc(Br)cn2)C1 ZINC000806657565 659839280 /nfs/dbraw/zinc/83/92/80/659839280.db2.gz ADQIOSYJYSPQRY-AAEUAGOBSA-N 1 0 394.260 2.992 20 0 GFADRO Cc1nn(C)c(Br)c1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000807740038 659863458 /nfs/dbraw/zinc/86/34/58/659863458.db2.gz RVNVNVOFYMJQBK-UKRRQHHQSA-N 1 0 391.313 2.884 20 0 GFADRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]C[C@H](O)c3ccc(Br)cc3)[C@@H]2C1 ZINC000808783969 659906230 /nfs/dbraw/zinc/90/62/30/659906230.db2.gz WDBDMLISFFBRJR-RANZSIQMSA-N 1 0 381.314 2.719 20 0 GFADRO Cc1cc(Br)cc(C[N@@H+]2CCC[C@H]2C[C@@]2(C)NC(=O)NC2=O)c1 ZINC000809704391 659936883 /nfs/dbraw/zinc/93/68/83/659936883.db2.gz BPGCEIKAAHCYMK-WMLDXEAASA-N 1 0 380.286 2.710 20 0 GFADRO CC[NH+](CC)CCS(=O)(=O)N[C@@H](C)[C@H](O)c1c(Cl)cccc1Cl ZINC000810055293 659958178 /nfs/dbraw/zinc/95/81/78/659958178.db2.gz JVHRDRZPNMXYHM-NHYWBVRUSA-N 1 0 383.341 2.677 20 0 GFADRO O=C(NCC[NH2+]Cc1cn2ccc(Br)cc2n1)c1ccc(F)cc1 ZINC000810135652 659963947 /nfs/dbraw/zinc/96/39/47/659963947.db2.gz RIRMZEKYZCJCMB-UHFFFAOYSA-N 1 0 391.244 2.756 20 0 GFADRO COc1ccc([C@@H](O)C[NH2+]Cc2cn3ccc(Br)cc3n2)cc1 ZINC000810129249 659964103 /nfs/dbraw/zinc/96/41/03/659964103.db2.gz SNJNFSIKRHLODB-INIZCTEOSA-N 1 0 376.254 2.929 20 0 GFADRO C[C@H]1C[C@@H](C(=O)N2CCN(Cc3ccc(Br)cc3)CC2)CC[N@@H+]1C ZINC000810588373 659979141 /nfs/dbraw/zinc/97/91/41/659979141.db2.gz ZHKCGLINPIBUTO-RDJZCZTQSA-N 1 0 394.357 2.824 20 0 GFADRO Cc1cc(Br)oc1C(=O)O[C@@H]1CCCN(c2cc[nH+]c(N)n2)C1 ZINC000810765110 659984988 /nfs/dbraw/zinc/98/49/88/659984988.db2.gz PXJYZVVNSZGVHE-SNVBAGLBSA-N 1 0 381.230 2.549 20 0 GFADRO CC(C)C[C@H](C[NH2+]CCC1CCS(=O)(=O)CC1)NC(=O)OC(C)(C)C ZINC000811485560 660010056 /nfs/dbraw/zinc/01/00/56/660010056.db2.gz QMSNEWFNEBAFDK-MRXNPFEDSA-N 1 0 376.563 2.730 20 0 GFADRO CCCC[N@H+](C)C[C@H](C)NC(=O)NC[C@H](O)c1cccc(Br)c1 ZINC000811931901 660017935 /nfs/dbraw/zinc/01/79/35/660017935.db2.gz VMEPGJMEZOFMGL-BBRMVZONSA-N 1 0 386.334 2.902 20 0 GFADRO CCC[N@H+](CC)C[C@H](C)NC(=O)NC[C@H](O)c1cccc(Br)c1 ZINC000811977826 660018525 /nfs/dbraw/zinc/01/85/25/660018525.db2.gz SKNMQNQGXXYUPD-BBRMVZONSA-N 1 0 386.334 2.902 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH]c4cccc(Br)c34)C[C@@H]2C1 ZINC000812336246 660024935 /nfs/dbraw/zinc/02/49/35/660024935.db2.gz VWLVKGBTWAQSPO-OCCSQVGLSA-N 1 0 376.298 2.883 20 0 GFADRO C[N@H+](CCN1CCOCC1)C[C@@](C)(O)c1ccc(Br)cc1Cl ZINC000815037461 660105740 /nfs/dbraw/zinc/10/57/40/660105740.db2.gz LGQHJRNKCFJSQJ-MRXNPFEDSA-N 1 0 391.737 2.574 20 0 GFADRO CN(C)C(=O)OC1CC[NH+](CCC(=O)Nc2ccc(Br)cc2)CC1 ZINC000815190809 660116136 /nfs/dbraw/zinc/11/61/36/660116136.db2.gz ZCOLUHVPZBDTGS-UHFFFAOYSA-N 1 0 398.301 2.940 20 0 GFADRO O=C(c1cn2c(Br)cnc2s1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000815508677 660124297 /nfs/dbraw/zinc/12/42/97/660124297.db2.gz DIGFMEKCIPXRFB-LLVKDONJSA-N 1 0 383.315 2.859 20 0 GFADRO CS(=O)(=O)[C@@H]1CCC[C@@H]([NH2+]C[C@@H](O)c2ccc(OC(F)(F)F)cc2)C1 ZINC000816544590 660160891 /nfs/dbraw/zinc/16/08/91/660160891.db2.gz NAVZJRRVZJPJPD-BPLDGKMQSA-N 1 0 381.416 2.564 20 0 GFADRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1cn2c(Br)cnc2s1 ZINC000816662924 660164650 /nfs/dbraw/zinc/16/46/50/660164650.db2.gz CZHNSQLQTYWWTO-MNOVXSKESA-N 1 0 383.315 2.857 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)[C@H]1CSC(c2ccccc2O)=N1)c1ccsc1 ZINC000816857590 660170578 /nfs/dbraw/zinc/17/05/78/660170578.db2.gz LOXWVRUZVQUJTH-CABCVRRESA-N 1 0 375.519 2.735 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)c1cc(S(C)(=O)=O)ncc1Cl ZINC000816879910 660171227 /nfs/dbraw/zinc/17/12/27/660171227.db2.gz YTNZTHOSUROLNB-CYBMUJFWSA-N 1 0 387.933 2.523 20 0 GFADRO C[NH+]1CCN(c2cc(CNC(=O)c3snc(Cl)c3Cl)ccn2)CC1 ZINC000816886115 660171237 /nfs/dbraw/zinc/17/12/37/660171237.db2.gz PPSLMMISZRJOTI-UHFFFAOYSA-N 1 0 386.308 2.527 20 0 GFADRO O=C(NCCSCc1ccnc(Cl)c1)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000841877147 661317017 /nfs/dbraw/zinc/31/70/17/661317017.db2.gz XSQPVTSUPFESPW-HZPDHXFCSA-N 1 0 382.961 2.999 20 0 GFADRO Cc1cc(Br)cn2cc(CNC(=O)N(C)C3CCC([NH3+])CC3)nc12 ZINC000841877458 661317108 /nfs/dbraw/zinc/31/71/08/661317108.db2.gz QSOMVHQLIUAIEW-UHFFFAOYSA-N 1 0 394.317 2.817 20 0 GFADRO [NH3+]C[C@H](NC(=O)NC[C@@H](O)c1ccccc1Br)C1CCCCC1 ZINC000841939009 661318071 /nfs/dbraw/zinc/31/80/71/661318071.db2.gz KDXZWEXJSYZXNV-JKSUJKDBSA-N 1 0 384.318 2.689 20 0 GFADRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N1CCO[C@H](c2ccccc2Br)C1 ZINC000841975226 661318764 /nfs/dbraw/zinc/31/87/64/661318764.db2.gz DQBBXDCEMFRCBO-KCXAZCMYSA-N 1 0 382.302 2.530 20 0 GFADRO CC(C)[C@H]([NH2+]Cc1ccc(S(N)(=O)=O)c(Cl)c1)[C@@H](O)c1ccccc1 ZINC000842208232 661327794 /nfs/dbraw/zinc/32/77/94/661327794.db2.gz SHTNCYRSVABHFK-ROUUACIJSA-N 1 0 382.913 2.835 20 0 GFADRO C[C@@H]1CCC[N@@H+]1CCNC(=O)c1cc(=O)c2cc(Br)ccc2o1 ZINC000842252237 661330181 /nfs/dbraw/zinc/33/01/81/661330181.db2.gz ZHEHQDOVGCTXGD-LLVKDONJSA-N 1 0 379.254 2.770 20 0 GFADRO Cc1c(-c2nc([C@@H]3CCC[NH2+]C3)no2)nnn1-c1cccc(Br)c1 ZINC000842668642 661348145 /nfs/dbraw/zinc/34/81/45/661348145.db2.gz MEISOYCMLKTSMF-LLVKDONJSA-N 1 0 389.257 2.855 20 0 GFADRO Brc1cc2c(cc1Cc1nc([C@@H]3CCC[NH2+]C3)no1)OCCO2 ZINC000842667463 661348183 /nfs/dbraw/zinc/34/81/83/661348183.db2.gz HCLUTNLAIHHZNS-SNVBAGLBSA-N 1 0 380.242 2.661 20 0 GFADRO Ic1cccc(OCc2nc([C@@H]3CCC[NH2+]C3)no2)c1 ZINC000842671424 661348416 /nfs/dbraw/zinc/34/84/16/661348416.db2.gz UIXSKORIOYPWKF-SNVBAGLBSA-N 1 0 385.205 2.720 20 0 GFADRO COc1ccc2nc(Cl)ccc2c1S(=O)(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000842699893 661349766 /nfs/dbraw/zinc/34/97/66/661349766.db2.gz RYPGRFNXPWCLFZ-NWDGAFQWSA-N 1 0 383.901 2.563 20 0 GFADRO Cc1cc(Br)ccc1S(=O)(=O)NCc1ccc(CC[NH3+])cc1 ZINC000842703354 661350114 /nfs/dbraw/zinc/35/01/14/661350114.db2.gz YDOMHQFARNJEPD-UHFFFAOYSA-N 1 0 383.311 2.737 20 0 GFADRO [NH3+]C1CC2(C1)CC(NS(=O)(=O)c1cccc(Br)c1Cl)C2 ZINC000842796764 661354987 /nfs/dbraw/zinc/35/49/87/661354987.db2.gz JXTOHIRMRGPQQJ-UHFFFAOYSA-N 1 0 379.707 2.651 20 0 GFADRO [NH3+]C1CC2(C1)CC(NS(=O)(=O)c1c(Cl)cccc1Br)C2 ZINC000842797532 661355043 /nfs/dbraw/zinc/35/50/43/661355043.db2.gz RECDJNWWMUJAPI-UHFFFAOYSA-N 1 0 379.707 2.651 20 0 GFADRO Cc1c(Br)cc(C(=O)OC[C@H]2CCC[N@@H+](C(C)C)C2)c(=O)n1C ZINC000842834707 661356813 /nfs/dbraw/zinc/35/68/13/661356813.db2.gz WNHCXPFFPKYYKP-ZDUSSCGKSA-N 1 0 385.302 2.733 20 0 GFADRO O=S(=O)(/C=C\c1cccc(Br)c1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000842850360 661357069 /nfs/dbraw/zinc/35/70/69/661357069.db2.gz RANQJHYSPAVDOT-AVFOEOQDSA-N 1 0 385.327 2.825 20 0 GFADRO C[C@](O)(C[NH2+][C@H](CO)Cc1ccc(O)cc1)c1ccc(Br)cc1F ZINC000843068466 661366108 /nfs/dbraw/zinc/36/61/08/661366108.db2.gz KLZBZERCEAQDTM-KSSFIOAISA-N 1 0 398.272 2.695 20 0 GFADRO O[C@@H](C[NH2+]C[C@@H](O)c1cccc(F)c1)COc1cccc(Br)c1 ZINC000843069412 661366153 /nfs/dbraw/zinc/36/61/53/661366153.db2.gz KMACCCCUIYASRW-DOTOQJQBSA-N 1 0 384.245 2.651 20 0 GFADRO CC(C)(C)OC(=O)NC[C@@H](O)C[NH2+]C[C@@H](O)c1ccc(Cl)cc1Cl ZINC000843074546 661366511 /nfs/dbraw/zinc/36/65/11/661366511.db2.gz HIEQKVBUGJUWQY-SMDDNHRTSA-N 1 0 379.284 2.502 20 0 GFADRO O[C@H](CC[NH2+]C[C@H](O)COc1ccc(Br)cc1)c1ccccc1 ZINC000843090363 661367191 /nfs/dbraw/zinc/36/71/91/661367191.db2.gz XXJLADLHSXZRFK-FUHWJXTLSA-N 1 0 380.282 2.902 20 0 GFADRO Cc1ccc([C@@H](O)C[NH2+]C[C@@H](O)COc2cc(F)cc(Br)c2)o1 ZINC000843088748 661367260 /nfs/dbraw/zinc/36/72/60/661367260.db2.gz PGFMKBCDLVFZSV-HIFRSBDPSA-N 1 0 388.233 2.553 20 0 GFADRO C[C@H]([NH2+]C[C@@H](O)c1ccccc1Br)[C@H](O)c1ccc2c(c1)OCO2 ZINC000843090509 661367583 /nfs/dbraw/zinc/36/75/83/661367583.db2.gz XYLSKTQNUPCHLY-POHZPAGDSA-N 1 0 394.265 2.923 20 0 GFADRO O[C@H](C[NH2+]C[C@@H](O)c1cccc(Br)c1)COCc1ccccc1 ZINC000843113183 661369074 /nfs/dbraw/zinc/36/90/74/661369074.db2.gz OISPKAJCEVUZAH-QZTJIDSGSA-N 1 0 380.282 2.650 20 0 GFADRO Cn1ccnc1[C@H]1C[NH2+]CCN1Cc1nc2ccc(Br)cc2s1 ZINC000843121308 661370150 /nfs/dbraw/zinc/37/01/50/661370150.db2.gz CRBKJAMGFSTVSF-CYBMUJFWSA-N 1 0 392.326 2.939 20 0 GFADRO CC(C)(C)OC(=O)N1C[C@@H](O)[C@H]([NH2+]C[C@H](O)c2ccc(Cl)cc2Cl)C1 ZINC000843118719 661370153 /nfs/dbraw/zinc/37/01/53/661370153.db2.gz NOZMWAJDUJIYTQ-QLFBSQMISA-N 1 0 391.295 2.597 20 0 GFADRO CN(Cc1nc(C2CC[NH2+]CC2)no1)C(=O)c1ccc(Br)s1 ZINC000843138690 661370514 /nfs/dbraw/zinc/37/05/14/661370514.db2.gz YCIPNJGESOGSCX-UHFFFAOYSA-N 1 0 385.287 2.633 20 0 GFADRO Ic1ccc(/C=C/c2nc(CC3CC[NH2+]CC3)no2)o1 ZINC000843134329 661370585 /nfs/dbraw/zinc/37/05/85/661370585.db2.gz OWLGDKUGGUFPSE-DUXPYHPUSA-N 1 0 385.205 2.980 20 0 GFADRO CC(=O)N[C@@H](Cc1nc([C@H]([NH3+])C(C)C)no1)c1ccc(Br)cc1 ZINC000843154567 661371054 /nfs/dbraw/zinc/37/10/54/661371054.db2.gz YVDHTUAVSVOIDI-DZGCQCFKSA-N 1 0 381.274 2.908 20 0 GFADRO O=S(=O)(Cc1noc(CC[C@H]2CC[NH2+]C2)n1)c1cc(Cl)ccc1Cl ZINC000843199504 661371820 /nfs/dbraw/zinc/37/18/20/661371820.db2.gz DNCNBFHAPPLSRB-JTQLQIEISA-N 1 0 390.292 2.892 20 0 GFADRO Brc1cc2c(cc1Cc1noc(CC[C@H]3CC[NH2+]C3)n1)OCO2 ZINC000843202191 661372013 /nfs/dbraw/zinc/37/20/13/661372013.db2.gz ALBJPRZWTATAOM-JTQLQIEISA-N 1 0 380.242 2.694 20 0 GFADRO Brc1cc2c(cc1Cc1noc(CC[C@@H]3CCC[NH2+]3)n1)OCO2 ZINC000843203586 661372379 /nfs/dbraw/zinc/37/23/79/661372379.db2.gz UQKJAVNTCSLARP-NSHDSACASA-N 1 0 380.242 2.836 20 0 GFADRO FC(F)Oc1cc(Br)ccc1-c1noc([C@@H]2C[NH2+]CCO2)n1 ZINC000843206151 661372765 /nfs/dbraw/zinc/37/27/65/661372765.db2.gz BPAGZQSGXAYTRI-JTQLQIEISA-N 1 0 376.157 2.761 20 0 GFADRO Ic1ccc(OCc2noc(C[C@H]3CCC[NH2+]3)n2)cc1 ZINC000843226774 661373925 /nfs/dbraw/zinc/37/39/25/661373925.db2.gz IMFZDPOXKXKZGZ-LLVKDONJSA-N 1 0 385.205 2.548 20 0 GFADRO CN(C)c1ccc(-c2noc(C[C@H]3CSCC[NH2+]3)n2)cc1Br ZINC000843238123 661374491 /nfs/dbraw/zinc/37/44/91/661374491.db2.gz ZWIFGANGALKLGG-NSHDSACASA-N 1 0 383.315 2.813 20 0 GFADRO CC(C)c1[nH]nc(C(=O)Nc2cnn(C3CC[NH2+]CC3)c2)c1Br ZINC000843457596 661382152 /nfs/dbraw/zinc/38/21/52/661382152.db2.gz YSQWWRHTPISCFT-UHFFFAOYSA-N 1 0 381.278 2.669 20 0 GFADRO O=C(CO[C@@H]1CCC[NH2+]C1)N[C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1 ZINC000843496028 661383529 /nfs/dbraw/zinc/38/35/29/661383529.db2.gz SPDGRFSVAPIXCH-HUUCEWRRSA-N 1 0 386.323 2.847 20 0 GFADRO CC1(C)C[NH2+][C@H]1C1CCN(C(=O)c2ccc(Cl)c(S(C)(=O)=O)c2)CC1 ZINC000843501741 661383587 /nfs/dbraw/zinc/38/35/87/661383587.db2.gz OZRCJMATMQYGJX-INIZCTEOSA-N 1 0 384.929 2.594 20 0 GFADRO O=C(NC1CC[NH+](CCOc2ccc(Br)cc2)CC1)C1(F)CC1 ZINC000843801127 661392942 /nfs/dbraw/zinc/39/29/42/661392942.db2.gz CKAFXHVQNUYAIE-UHFFFAOYSA-N 1 0 385.277 2.911 20 0 GFADRO COC(=O)C[C@@]1([NH2+]Cc2cc(Br)cc(F)c2F)CCCOC1 ZINC000844317834 661414589 /nfs/dbraw/zinc/41/45/89/661414589.db2.gz ODSQBKXPPAZKNJ-HNNXBMFYSA-N 1 0 378.213 2.929 20 0 GFADRO CN(CCOCC1CC1)CN1CC(c2ccc(Br)cc2)=CC1=O ZINC000844696579 661434645 /nfs/dbraw/zinc/43/46/45/661434645.db2.gz JEISBHJWANXOBR-UHFFFAOYSA-N 1 0 379.298 2.991 20 0 GFADRO Cn1nc(C(F)(F)F)c(CN2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)c1Cl ZINC000846227402 661538901 /nfs/dbraw/zinc/53/89/01/661538901.db2.gz QJDQCNHWMATUCD-RTXFEEFZSA-N 1 0 380.842 2.953 20 0 GFADRO COCC[NH2+]C1CCN(C(=O)/C=C\c2ccc(C)cc2Br)CC1 ZINC000846686296 661561704 /nfs/dbraw/zinc/56/17/04/661561704.db2.gz DRMQMIZMTYNWLR-WAYWQWQTSA-N 1 0 381.314 2.998 20 0 GFADRO C[C@@H]1CCCN(C(=O)c2cn(-c3ccccc3Br)nn2)[C@H]1CC[NH3+] ZINC000846694157 661561896 /nfs/dbraw/zinc/56/18/96/661561896.db2.gz NODGNWLXZIDKKG-DOMZBBRYSA-N 1 0 392.301 2.619 20 0 GFADRO C[C@@]1(CCNC(=O)C(=O)NCCCCC[NH+]2CCCCC2)C[C@@]1(F)Cl ZINC000846728848 661563134 /nfs/dbraw/zinc/56/31/34/661563134.db2.gz BQUMETRKJICKMK-MSOLQXFVSA-N 1 0 375.916 2.580 20 0 GFADRO Cn1c(Cl)ncc1CNc1cc(N2CCOCC2)c(Br)c[nH+]1 ZINC000846777009 661565749 /nfs/dbraw/zinc/56/57/49/661565749.db2.gz KSDHXOAPWVVBLT-UHFFFAOYSA-N 1 0 386.681 2.680 20 0 GFADRO CC(C)(C)OC(=O)N1CCN([C@H]2CC[N@H+](CC3(Br)CC3)C2)CC1 ZINC000846902713 661569492 /nfs/dbraw/zinc/56/94/92/661569492.db2.gz IGYXAYIYHNXOEB-AWEZNQCLSA-N 1 0 388.350 2.541 20 0 GFADRO CCN1C[C@H](C[NH2+][C@](C)(CC(=O)OC)c2ccc(Br)cc2)OC1=O ZINC000846898282 661569685 /nfs/dbraw/zinc/56/96/85/661569685.db2.gz CZNUCZBAVKEXKH-WMLDXEAASA-N 1 0 399.285 2.658 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)c1cnc(F)c(Br)c1)Cc1ccccc1 ZINC000847300779 661586616 /nfs/dbraw/zinc/58/66/16/661586616.db2.gz JPRAREIKPLKCPV-AWEZNQCLSA-N 1 0 380.261 2.886 20 0 GFADRO C[NH+](C)CCOc1ccccc1CNC(=O)c1cnc(F)c(Br)c1 ZINC000847405105 661590919 /nfs/dbraw/zinc/59/09/19/661590919.db2.gz XSHBNVKWOLVZEQ-UHFFFAOYSA-N 1 0 396.260 2.854 20 0 GFADRO C[NH+](C)CCN(CC(=O)OC(C)(C)C)C(=O)c1nc(Cl)sc1Cl ZINC000847419224 661591765 /nfs/dbraw/zinc/59/17/65/661591765.db2.gz QOQLDTOTWSNUHL-UHFFFAOYSA-N 1 0 382.313 2.795 20 0 GFADRO O=C(NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1nc(Cl)sc1Cl ZINC000847536454 661595885 /nfs/dbraw/zinc/59/58/85/661595885.db2.gz CWKUHHNMUXLQGF-MRXNPFEDSA-N 1 0 386.304 2.817 20 0 GFADRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)c2ccccc2S(=O)(=O)C(F)(F)F)C1 ZINC000847548902 661596691 /nfs/dbraw/zinc/59/66/91/661596691.db2.gz DMWXUTCJQQEOTI-RYUDHWBXSA-N 1 0 378.416 2.583 20 0 GFADRO C[C@@H](NC(=O)c1ccn(CC[NH+](C)C)n1)[C@@H](O)c1c(Cl)cccc1Cl ZINC000847594534 661600509 /nfs/dbraw/zinc/60/05/09/661600509.db2.gz NCEFLQAMYFTTQX-BDJLRTHQSA-N 1 0 385.295 2.603 20 0 GFADRO Nc1c(Cl)cc(NC(=O)C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1Cl ZINC000847608103 661601536 /nfs/dbraw/zinc/60/15/36/661601536.db2.gz QIJCAAXARDVNQG-KBPBESRZSA-N 1 0 385.295 2.647 20 0 GFADRO CS[C@@H]1CN(C(=O)c2cnc(Cl)c(Br)c2)C[C@@H]1[NH+](C)C ZINC000847618506 661602168 /nfs/dbraw/zinc/60/21/68/661602168.db2.gz KKGPRKNWRAIRCW-WDEREUQCSA-N 1 0 378.723 2.615 20 0 GFADRO C[N@@H+]1CC[C@H](CCOC(=O)CSc2nncn2-c2cccc(Cl)c2)C1 ZINC000847827030 661612413 /nfs/dbraw/zinc/61/24/13/661612413.db2.gz GACREAODFYEHME-CYBMUJFWSA-N 1 0 380.901 2.898 20 0 GFADRO COCC[NH+]1CCC(OC(=O)[C@H](OC)c2ccccc2Br)CC1 ZINC000847886956 661615388 /nfs/dbraw/zinc/61/53/88/661615388.db2.gz UYQGSMCRCKCIRZ-MRXNPFEDSA-N 1 0 386.286 2.791 20 0 GFADRO C[NH+]1CCC(n2ccc(NC(=O)c3cnc(F)c(Br)c3)n2)CC1 ZINC000847984395 661619283 /nfs/dbraw/zinc/61/92/83/661619283.db2.gz NXBJTIUJFNXRQJ-UHFFFAOYSA-N 1 0 382.237 2.699 20 0 GFADRO C[NH+](C)Cc1ccc(S(=O)(=O)Oc2ccc(N=S(C)(C)=O)cc2)cc1 ZINC000848460513 661651005 /nfs/dbraw/zinc/65/10/05/661651005.db2.gz GTVSRSNGXAFOBR-UHFFFAOYSA-N 1 0 382.507 2.875 20 0 GFADRO CCC(C)(C)[NH+]1CCN(CN2c3ccc(Br)cc3C(=O)C2=O)CC1 ZINC000848495464 661656256 /nfs/dbraw/zinc/65/62/56/661656256.db2.gz JELHLDIIVFDALX-UHFFFAOYSA-N 1 0 394.313 2.742 20 0 GFADRO Cn1c(Cl)ncc1C[NH2+]CCCNC(=O)c1ccc(Br)cc1 ZINC000848534581 661662387 /nfs/dbraw/zinc/66/23/87/661662387.db2.gz SFGXHCSLZXSQGH-UHFFFAOYSA-N 1 0 385.693 2.746 20 0 GFADRO C[C@@H]([NH2+]C[C@@H]1CN(C2CC2)C(=O)O1)c1ccc(I)cc1 ZINC000848571066 661665994 /nfs/dbraw/zinc/66/59/94/661665994.db2.gz OTFIYDMMVSRALB-QMTHXVAHSA-N 1 0 386.233 2.925 20 0 GFADRO C[C@@H]1CCCN(C(=[NH2+])NCCNS(=O)(=O)c2cccc(Cl)c2Cl)C1 ZINC000849050698 661690642 /nfs/dbraw/zinc/69/06/42/661690642.db2.gz FDYZWMDMMCTFPP-LLVKDONJSA-N 1 0 393.340 2.528 20 0 GFADRO [NH2+]=C(NC[C@@H](CO)Cc1cc(Br)ccc1F)Nc1ccccn1 ZINC000849115033 661692730 /nfs/dbraw/zinc/69/27/30/661692730.db2.gz BWNGOPIWKBGXGZ-NSHDSACASA-N 1 0 381.249 2.771 20 0 GFADRO COc1ccc(Br)cc1C[C@@H](CO)CNC(=[NH2+])Nc1ccccn1 ZINC000849117204 661693560 /nfs/dbraw/zinc/69/35/60/661693560.db2.gz WHSGPLSOBBYDHW-GFCCVEGCSA-N 1 0 393.285 2.640 20 0 GFADRO O[C@@H](C[NH2+]C[C@]12OCCC[C@H]1C2(F)F)COc1cccc(Br)c1 ZINC000849330180 661706125 /nfs/dbraw/zinc/70/61/25/661706125.db2.gz LAJGBECBLLXVEQ-CFVMTHIKSA-N 1 0 392.240 2.593 20 0 GFADRO O=C1N[C@H](c2ccccc2Br)C(=O)N1[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000849351521 661708169 /nfs/dbraw/zinc/70/81/69/661708169.db2.gz HTXGIZVVTPECEV-RRFJBIMHSA-N 1 0 378.270 2.669 20 0 GFADRO C[N@H+](CCN1C(=O)N[C@H](c2ccccc2Br)C1=O)C1CCCC1 ZINC000849354848 661709093 /nfs/dbraw/zinc/70/90/93/661709093.db2.gz XBHRZVGMZXURDB-OAHLLOKOSA-N 1 0 380.286 2.916 20 0 GFADRO C[NH+](C)[C@H]1CCC[C@H](NS(=O)(=O)Cc2cc(F)ccc2Br)C1 ZINC000849379594 661712324 /nfs/dbraw/zinc/71/23/24/661712324.db2.gz OOBBAELSYLFACQ-KBPBESRZSA-N 1 0 393.322 2.880 20 0 GFADRO O=S(=O)(N[C@@H]1CC[N@@H+](C2CCCCC2)C1)c1ccc(C(F)(F)F)cn1 ZINC000849460945 661730066 /nfs/dbraw/zinc/73/00/66/661730066.db2.gz KMJPWKALSMIMLM-CYBMUJFWSA-N 1 0 377.432 2.786 20 0 GFADRO Cn1cc([C@H]2C[N@H+](C)CC[C@H]2C(=O)Nc2cc(Br)ccc2F)cn1 ZINC000849509544 661734314 /nfs/dbraw/zinc/73/43/14/661734314.db2.gz ZEAXZJLVNNSSMW-ZIAGYGMSSA-N 1 0 395.276 2.996 20 0 GFADRO COc1cncc(C[NH2+]C[C@H](CO)Cc2ccc(F)c(Br)c2)c1 ZINC000850316666 661770110 /nfs/dbraw/zinc/77/01/10/661770110.db2.gz IECDYHLVIBOFJJ-CQSZACIVSA-N 1 0 383.261 2.933 20 0 GFADRO CO[C@@H]1CCC[C@@H]([C@@H](CO)[NH2+]Cc2ccccc2I)C1 ZINC000850354012 661771521 /nfs/dbraw/zinc/77/15/21/661771521.db2.gz RYUJXCLLUWDASN-XNRPHZJLSA-N 1 0 389.277 2.947 20 0 GFADRO Cc1nn(C)c(C[NH2+]C[C@@H](O)c2cc(F)c(F)c(F)c2)c1Br ZINC000850421499 661775640 /nfs/dbraw/zinc/77/56/40/661775640.db2.gz WYJBARKINDZMEC-GFCCVEGCSA-N 1 0 378.192 2.732 20 0 GFADRO CS[C@H](CO)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)C(F)(F)F)Cc2ccccc21 ZINC000850435949 661775920 /nfs/dbraw/zinc/77/59/20/661775920.db2.gz GNXUKRUWKUYJMZ-KCPJHIHWSA-N 1 0 376.444 2.724 20 0 GFADRO C[C@@H](Cc1cccc(F)c1)[NH2+]CCNC(=O)c1ccc(Br)cn1 ZINC000850495095 661779141 /nfs/dbraw/zinc/77/91/41/661779141.db2.gz WIBDZBUQTVQPPP-LBPRGKRZSA-N 1 0 380.261 2.934 20 0 GFADRO O=S(=O)(CC[NH2+][C@H](Cc1ccncc1)c1cccs1)CC(F)(F)F ZINC000850517845 661780348 /nfs/dbraw/zinc/78/03/48/661780348.db2.gz DVVPDJFNYQALOR-CYBMUJFWSA-N 1 0 378.441 2.994 20 0 GFADRO O=S(=O)(CC[NH2+]C1CCN(c2ccc(F)cc2F)CC1)CC(F)(F)F ZINC000850518563 661780573 /nfs/dbraw/zinc/78/05/73/661780573.db2.gz GWYAAQYLHISCOZ-UHFFFAOYSA-N 1 0 386.386 2.500 20 0 GFADRO Cc1ccc(NC(=O)C[C@H](C)[NH2+]CCS(=O)(=O)CC(F)(F)F)c(C)c1 ZINC000850520291 661780957 /nfs/dbraw/zinc/78/09/57/661780957.db2.gz YZJWEXKPNOCOSR-ZDUSSCGKSA-N 1 0 380.432 2.587 20 0 GFADRO O=S1(=O)CC[C@@H]([NH2+][C@@H]2COC3(CCC3)C2)c2cc(Br)ccc21 ZINC000850524069 661781066 /nfs/dbraw/zinc/78/10/66/661781066.db2.gz UBVUOKYGSRKOKP-GXTWGEPZSA-N 1 0 386.311 2.969 20 0 GFADRO CCOC(=O)[C@H]1[C@@H]([NH2+]CCC2SCCS2)CCN1C(=O)OC(C)(C)C ZINC000850568615 661781802 /nfs/dbraw/zinc/78/18/02/661781802.db2.gz CPGOVZZFFWNEIH-GXTWGEPZSA-N 1 0 390.571 2.713 20 0 GFADRO C[C@@]1(C(=O)NCc2ccc(C[NH3+])cc2)CC1(Br)Br ZINC000851642168 661827540 /nfs/dbraw/zinc/82/75/40/661827540.db2.gz TXAFTKLJGOFXGT-LBPRGKRZSA-N 1 0 376.092 2.658 20 0 GFADRO C[C@H](C[C@H](C)[NH3+])NC(=O)N1CC[C@@]2(C)[C@@H](C1)C2(Br)Br ZINC000851667811 661827966 /nfs/dbraw/zinc/82/79/66/661827966.db2.gz SGZYXEGTACHJJA-XNDJQWLSSA-N 1 0 397.155 2.650 20 0 GFADRO C[N@H+](CCCc1cc(-c2ccccc2)n[nH]1)CCn1cnc(Br)n1 ZINC000851746285 661830324 /nfs/dbraw/zinc/83/03/24/661830324.db2.gz RLUMCTQHWKINFH-UHFFFAOYSA-N 1 0 389.301 2.995 20 0 GFADRO CC(C)C1CCC([NH+]2CCN(CCn3cnc(Br)n3)CC2)CC1 ZINC000851805637 661833498 /nfs/dbraw/zinc/83/34/98/661833498.db2.gz DMIAKZWMMQOIMB-UHFFFAOYSA-N 1 0 384.366 2.873 20 0 GFADRO CCOP(=O)(OCC)[C@@H](O)C[N@@H+]1CCC[C@@H](Oc2ncccc2F)C1 ZINC000851992363 661848239 /nfs/dbraw/zinc/84/82/39/661848239.db2.gz FDKZDGSQNHZLKO-UKRRQHHQSA-N 1 0 376.365 2.648 20 0 GFADRO O[C@H](CN1CCC[C@@H]([NH+]2CCOCC2)CC1)c1ccccc1Br ZINC000852009350 661849082 /nfs/dbraw/zinc/84/90/82/661849082.db2.gz MDHQOTGZQZYTGL-CRAIPNDOSA-N 1 0 383.330 2.669 20 0 GFADRO O[C@H](C[N@@H+]1CCC[C@@H](N2CCOCC2)CC1)c1ccc(Br)cc1 ZINC000852009530 661849107 /nfs/dbraw/zinc/84/91/07/661849107.db2.gz MSGJBUCDZMQMBS-QZTJIDSGSA-N 1 0 383.330 2.669 20 0 GFADRO FC(F)(Br)CN1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000852041434 661850428 /nfs/dbraw/zinc/85/04/28/661850428.db2.gz OSLULVXWILBQRY-INIZCTEOSA-N 1 0 388.300 2.866 20 0 GFADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)NCCC2SCCS2)[C@H](C)C1 ZINC000852115907 661853276 /nfs/dbraw/zinc/85/32/76/661853276.db2.gz VIFZISXIASBMLH-CABCVRRESA-N 1 0 375.604 2.619 20 0 GFADRO Brc1ncn(CC[NH+]2CCC3(CC2)OCCc2ccccc23)n1 ZINC000852151657 661854694 /nfs/dbraw/zinc/85/46/94/661854694.db2.gz KJDGMGBHVCQIOZ-UHFFFAOYSA-N 1 0 377.286 2.605 20 0 GFADRO COC(=O)[C@H](c1cccc(Cl)c1Cl)N(C)C[C@@H](O)C[NH+]1CCCC1 ZINC000852690912 661871340 /nfs/dbraw/zinc/87/13/40/661871340.db2.gz BFZGJESHYXMSAB-WBMJQRKESA-N 1 0 375.296 2.596 20 0 GFADRO CC(C)NC(=O)[C@H]1CCC[N@H+](C[C@H](O)c2ccc(F)c(Br)c2)C1 ZINC000852697129 661871477 /nfs/dbraw/zinc/87/14/77/661871477.db2.gz NQGYAFWKBZSCAD-BBRMVZONSA-N 1 0 387.293 2.858 20 0 GFADRO O=C1OCCN1C1CC[NH+](C[C@@H](O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000852724056 661871764 /nfs/dbraw/zinc/87/17/64/661871764.db2.gz PMWXFUCVYWACOK-CYBMUJFWSA-N 1 0 389.279 2.650 20 0 GFADRO C[C@@H]1CCCN(C(=O)c2cnn(-c3ccccc3)c2Br)[C@@H]1C[NH3+] ZINC000852798579 661874693 /nfs/dbraw/zinc/87/46/93/661874693.db2.gz LWYDRNCSHSMXRD-IUODEOHRSA-N 1 0 377.286 2.834 20 0 GFADRO O=C(c1cnn(-c2ccccc2)c1Br)N1CCC2(C1)CC[NH2+]CC2 ZINC000852875047 661876062 /nfs/dbraw/zinc/87/60/62/661876062.db2.gz QXGLBHDEFSEUDK-UHFFFAOYSA-N 1 0 389.297 2.851 20 0 GFADRO Cn1c(Cl)cnc1-c1csc(NC(=O)[C@@]2(C(F)(F)F)CC[NH2+]C2)n1 ZINC000852901970 661877033 /nfs/dbraw/zinc/87/70/33/661877033.db2.gz XUWPILHBDNEUJA-GFCCVEGCSA-N 1 0 379.795 2.678 20 0 GFADRO C[C@@H]1[C@@H](c2ccc(Br)cc2)OCCN1C(=O)CO[C@@H]1CCC[NH2+]C1 ZINC000852905141 661877052 /nfs/dbraw/zinc/87/70/52/661877052.db2.gz MTLDOOPQGBIVET-QBIMZIAESA-N 1 0 397.313 2.506 20 0 GFADRO COC(=O)N(C)CC[NH2+]C[C@@](C)(O)c1ccc(Br)cc1Cl ZINC000853119063 661882869 /nfs/dbraw/zinc/88/28/69/661882869.db2.gz DOKQRKDNAPJUAU-CQSZACIVSA-N 1 0 379.682 2.598 20 0 GFADRO O=C(N1CCC[C@H]([C@@H]2CCCC[N@@H+]2CN2CCSC2=O)C1)C(F)(F)F ZINC000853546147 661891812 /nfs/dbraw/zinc/89/18/12/661891812.db2.gz MAZFMSYFDKUKAB-STQMWFEESA-N 1 0 379.448 2.768 20 0 GFADRO O=C1CC[C@@H]2C[N@H+](Cn3ccc(-c4ccc(Br)cc4)n3)CC[C@H]2N1 ZINC000853556572 661892411 /nfs/dbraw/zinc/89/24/11/661892411.db2.gz FXVQTXFQEKAGRE-GDBMZVCRSA-N 1 0 389.297 2.871 20 0 GFADRO O=C1[C@H](c2cccc(Br)c2)CCN1C[N@@H+]1CC[C@H]2COC[C@H]2C1 ZINC000853588524 661893726 /nfs/dbraw/zinc/89/37/26/661893726.db2.gz DYEKHPSVWBQGDB-UXLLHSPISA-N 1 0 379.298 2.691 20 0 GFADRO CC(C)N1CCO[C@H](C(=[NH2+])NOCc2ncc(Br)cc2Cl)C1 ZINC000853685942 661897195 /nfs/dbraw/zinc/89/71/95/661897195.db2.gz REGIXNQAIKIUQN-ZDUSSCGKSA-N 1 0 391.697 2.605 20 0 GFADRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N2CCn3ncc(Br)c3C2)C1 ZINC000853881073 661905822 /nfs/dbraw/zinc/90/58/22/661905822.db2.gz WSVNYFFXWFTRGZ-CQSZACIVSA-N 1 0 398.349 2.539 20 0 GFADRO CC[C@@H](c1noc(-c2cn(CC[NH3+])nn2)n1)c1ccc(Br)cc1 ZINC000854147263 661916625 /nfs/dbraw/zinc/91/66/25/661916625.db2.gz ASCCQZCWFRJNPO-GFCCVEGCSA-N 1 0 377.246 2.591 20 0 GFADRO C[NH+](C)C1(CNC(=O)c2csc(I)n2)CCCCC1 ZINC000854226283 661919664 /nfs/dbraw/zinc/91/96/64/661919664.db2.gz GRTUKEXIUBGTNJ-UHFFFAOYSA-N 1 0 393.294 2.742 20 0 GFADRO O=C(NCc1cnc(Br)cn1)[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000854351580 661927408 /nfs/dbraw/zinc/92/74/08/661927408.db2.gz BNBSMZOQLHHDEC-INIZCTEOSA-N 1 0 389.297 2.735 20 0 GFADRO C[C@]1(C(=O)NCC[N@@H+]2CCCC2(C)C)CC1(Br)Br ZINC000854893289 661959319 /nfs/dbraw/zinc/95/93/19/661959319.db2.gz HMHJXCGLCSXRNN-GFCCVEGCSA-N 1 0 382.140 2.873 20 0 GFADRO O=C(NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1cc(Cl)ncc1Cl ZINC000855402843 661990363 /nfs/dbraw/zinc/99/03/63/661990363.db2.gz IHLCNYPTCZIRJA-CQSZACIVSA-N 1 0 380.275 2.885 20 0 GFADRO CN(CCC[NH+](C)C)CCNC(=O)C(F)(F)c1ccccc1Br ZINC000855414931 661991240 /nfs/dbraw/zinc/99/12/40/661991240.db2.gz NJKJGYCMJJDUGM-UHFFFAOYSA-N 1 0 392.288 2.541 20 0 GFADRO CCN(C(=O)/C=C/c1ccc(I)o1)[C@@H]1CC[N@H+](CC)C1 ZINC000855490621 661993488 /nfs/dbraw/zinc/99/34/88/661993488.db2.gz NBBIJPJOVIMGGR-WAFBPQNNSA-N 1 0 388.249 2.840 20 0 GFADRO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)COc1ccc(C=O)cc1Br ZINC000855898594 662011924 /nfs/dbraw/zinc/01/19/24/662011924.db2.gz QRPJBFZBCJPXFE-AWEZNQCLSA-N 1 0 397.313 2.877 20 0 GFADRO C[NH+](C)C[C@@H]1COC2(CCCC2)CN1C(=O)c1cccnc1Br ZINC000856410256 662032183 /nfs/dbraw/zinc/03/21/83/662032183.db2.gz IIPLBNXUPPWSEN-CYBMUJFWSA-N 1 0 382.302 2.560 20 0 GFADRO Cc1ccc(C(=O)N2CC3(CCCC3)OC[C@@H]2C[NH+](C)C)c(Br)n1 ZINC000856411383 662032512 /nfs/dbraw/zinc/03/25/12/662032512.db2.gz VHBANNNUAPJXBL-AWEZNQCLSA-N 1 0 396.329 2.868 20 0 GFADRO C[NH+](C)CCC[C@H]1CN(C(=O)c2cc(Br)ncc2Cl)CCO1 ZINC000856428469 662033422 /nfs/dbraw/zinc/03/34/22/662033422.db2.gz BQMFPSAQHBMTQQ-NSHDSACASA-N 1 0 390.709 2.680 20 0 GFADRO C[NH+](C)CCC[C@@H]1CN(C(=O)C[C@H](O)c2cc(Cl)cc(Cl)c2)CCO1 ZINC000856428735 662033453 /nfs/dbraw/zinc/03/34/53/662033453.db2.gz DMGRBSXRPJAGBB-SJORKVTESA-N 1 0 389.323 2.986 20 0 GFADRO O=C(NC[C@@H]1CCC[N@H+](CC2CC2)C1)[C@@H]1Cc2cc(Br)ccc2O1 ZINC000856480326 662035655 /nfs/dbraw/zinc/03/56/55/662035655.db2.gz RUCGALDFGKTYGA-KSSFIOAISA-N 1 0 393.325 2.991 20 0 GFADRO O=C(NCC[C@@H]1CC1(Cl)Cl)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000856878867 662049158 /nfs/dbraw/zinc/04/91/58/662049158.db2.gz CWDYAABDIXNUPA-YUELXQCFSA-N 1 0 378.344 2.637 20 0 GFADRO O=C(Cc1noc(CC[C@H]2CCC[NH2+]C2)n1)Nc1ccccc1Br ZINC000857252198 662070551 /nfs/dbraw/zinc/07/05/51/662070551.db2.gz CFPXLLGFEZNICX-GFCCVEGCSA-N 1 0 393.285 2.946 20 0 GFADRO Cc1cc(C[NH2+]C2CCN(CC(=O)N(C)C)CC2)c(Br)cc1F ZINC000858132975 662100254 /nfs/dbraw/zinc/10/02/54/662100254.db2.gz MSUBEEXMYAVGTR-UHFFFAOYSA-N 1 0 386.309 2.539 20 0 GFADRO COCO[C@H](C)c1cc(F)c(C[NH2+]C[C@@](C)(O)COC)cc1Br ZINC000858134508 662100443 /nfs/dbraw/zinc/10/04/43/662100443.db2.gz SEIIJLKGPUSSMY-BDJLRTHQSA-N 1 0 394.281 2.757 20 0 GFADRO Cn1cc(C[NH2+]C[C@H](O)c2ccccc2Br)c(Br)n1 ZINC000858175256 662103364 /nfs/dbraw/zinc/10/33/64/662103364.db2.gz KQSUMRYQUMXYFU-LBPRGKRZSA-N 1 0 389.091 2.768 20 0 GFADRO O=C1O[C@H](C[NH2+]Cc2c[nH]nc2-c2ccc(Br)s2)CN1C1CC1 ZINC000858186049 662103841 /nfs/dbraw/zinc/10/38/41/662103841.db2.gz OSELXZLCJWQCEZ-LLVKDONJSA-N 1 0 397.298 2.974 20 0 GFADRO Cn1nc(Br)cc1C[NH2+]C[C@H]1CN(c2ccc(Cl)cc2)CCO1 ZINC000858245921 662106105 /nfs/dbraw/zinc/10/61/05/662106105.db2.gz YPFGVDAMHJFDBR-HNNXBMFYSA-N 1 0 399.720 2.831 20 0 GFADRO COc1ncc(Br)cc1CNC(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000858311012 662107862 /nfs/dbraw/zinc/10/78/62/662107862.db2.gz DHMFFRFOIVCJNZ-KBPBESRZSA-N 1 0 385.306 2.525 20 0 GFADRO CC(=O)c1ccc(Cl)c(S(=O)(=O)N2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1 ZINC000858623465 662117022 /nfs/dbraw/zinc/11/70/22/662117022.db2.gz JLTREOLRVIWQDG-RYUDHWBXSA-N 1 0 398.834 2.690 20 0 GFADRO C[N@@H+]1CCCC[C@@H](CNC(=O)NC[C@@H](O)c2cccc(Br)c2)C1 ZINC000858765472 662122298 /nfs/dbraw/zinc/12/22/98/662122298.db2.gz BWGDZOSYMYQAPO-XJKSGUPXSA-N 1 0 384.318 2.514 20 0 GFADRO C[NH+](C)CC[C@H](NS(=O)(=O)c1ccc(Br)nc1F)C(C)(C)C ZINC000858988524 662130725 /nfs/dbraw/zinc/13/07/25/662130725.db2.gz OLBTZVLIBAXZRG-NSHDSACASA-N 1 0 396.326 2.628 20 0 GFADRO COC(=O)Nc1ccc(S(=O)(=O)NC2CCC([NH+](C)C)CC2)cc1Cl ZINC000859195470 662144108 /nfs/dbraw/zinc/14/41/08/662144108.db2.gz XEHKVCHGXKLYCV-UHFFFAOYSA-N 1 0 389.905 2.669 20 0 GFADRO Cc1nc(Br)ccc1NC(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000859671626 662171868 /nfs/dbraw/zinc/17/18/68/662171868.db2.gz VOQRXXIUPRFUGJ-CQSZACIVSA-N 1 0 397.317 2.775 20 0 GFADRO CC(C)[NH+]1CCC(NC(=O)COC(=O)c2csc(C(F)(F)F)c2)CC1 ZINC000859880401 662177440 /nfs/dbraw/zinc/17/74/40/662177440.db2.gz MDLAYMDHJYCSGN-UHFFFAOYSA-N 1 0 378.416 2.913 20 0 GFADRO O=c1ccc([C@@H]2OCC[C@H]2[NH2+]C[C@@H](O)c2ccccc2Br)c[nH]1 ZINC000859880797 662177680 /nfs/dbraw/zinc/17/76/80/662177680.db2.gz UZBYAEHKAPFTNN-INMHGKMJSA-N 1 0 379.254 2.703 20 0 GFADRO COCC[N@H+](C)CCCC1CCN(C(=O)[C@@H]2C[C@@]2(C)Br)CC1 ZINC000860508391 662203454 /nfs/dbraw/zinc/20/34/54/662203454.db2.gz ICPYTWVYTZIFLV-DOTOQJQBSA-N 1 0 375.351 2.757 20 0 GFADRO Cc1nc(Br)ccc1NC(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000860873546 662219027 /nfs/dbraw/zinc/21/90/27/662219027.db2.gz JFFRBVHDDJCZED-UHFFFAOYSA-N 1 0 397.317 2.871 20 0 GFADRO CO[C@@H]1C[N@H+](C)[C@@](C)(COC(=O)[C@@H](C)Oc2cccc(Br)c2)C1 ZINC000861348538 662241472 /nfs/dbraw/zinc/24/14/72/662241472.db2.gz USOXOWSJCWDOGH-ISTRZQFTSA-N 1 0 386.286 2.869 20 0 GFADRO CO[C@H]1C[N@H+](C)[C@@](C)(COC(=O)c2nn(C(C)(C)C)cc2Br)C1 ZINC000861355930 662242129 /nfs/dbraw/zinc/24/21/29/662242129.db2.gz HBKMBZOFQBLGAU-BDJLRTHQSA-N 1 0 388.306 2.667 20 0 GFADRO C[C@H]1CC[C@@H](NC(=O)C(=O)Nc2cccc(Cl)c2SC(F)F)C[NH2+]1 ZINC000861523406 662248903 /nfs/dbraw/zinc/24/89/03/662248903.db2.gz GTHMHHFSDIFWOZ-DTWKUNHWSA-N 1 0 377.844 2.850 20 0 GFADRO O=C(NCCC[C@@H]1CC1(Cl)Cl)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000861648547 662253272 /nfs/dbraw/zinc/25/32/72/662253272.db2.gz SXLLMVSQAHIVJA-HUUCEWRRSA-N 1 0 378.344 2.761 20 0 GFADRO O=C(c1c(Cl)cc(F)cc1Br)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000861713786 662255623 /nfs/dbraw/zinc/25/56/23/662255623.db2.gz DZFWGXSPDJXKMG-WDEREUQCSA-N 1 0 391.668 2.523 20 0 GFADRO CC(C)[C@@H](CNC(=O)C(=O)N(C)C[C@@H](C)[NH3+])Cc1ccc(Cl)cc1Cl ZINC000861731071 662256394 /nfs/dbraw/zinc/25/63/94/662256394.db2.gz PRKIIMDLCNMOQS-TZMCWYRMSA-N 1 0 388.339 2.730 20 0 GFADRO C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2cccc(SC(F)(F)F)c2)C1 ZINC000861745995 662257343 /nfs/dbraw/zinc/25/73/43/662257343.db2.gz FAFUSEVUHQIJCI-NSHDSACASA-N 1 0 375.416 2.647 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2cccc(SC(F)(F)F)c2)CC[N@@H+]1C ZINC000861758320 662257904 /nfs/dbraw/zinc/25/79/04/662257904.db2.gz DTDOXGKIBYQSTD-PWSUYJOCSA-N 1 0 375.416 2.836 20 0 GFADRO CCN(C(=O)C(=O)Nc1cccc(SC(F)(F)F)c1)[C@H]1CC[N@H+](C)C1 ZINC000861904474 662263162 /nfs/dbraw/zinc/26/31/62/662263162.db2.gz GCPAPRUEELFFJK-LBPRGKRZSA-N 1 0 375.416 2.790 20 0 GFADRO O=C(C[C@H](O)c1cc(Cl)cc(Cl)c1)N1CCC([NH+]2CCOCC2)CC1 ZINC000862217047 662274097 /nfs/dbraw/zinc/27/40/97/662274097.db2.gz TYEIDUWFWQHVIS-KRWDZBQOSA-N 1 0 387.307 2.740 20 0 GFADRO CN(C)[C@@]1(C[NH2+]C[C@@H]2CC(F)(F)CN2C(=O)OC(C)(C)C)CCSC1 ZINC000862283205 662279267 /nfs/dbraw/zinc/27/92/67/662279267.db2.gz CHJSMLQDAOHGML-XJKSGUPXSA-N 1 0 379.517 2.658 20 0 GFADRO COC(=O)NCCCC(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000863038044 662309260 /nfs/dbraw/zinc/30/92/60/662309260.db2.gz QYUMZHATBQJIPA-AWEZNQCLSA-N 1 0 376.284 2.849 20 0 GFADRO CCC1([NH+]2CCOCC2)CCN(C(=O)c2scnc2Br)CC1 ZINC000863492363 662334727 /nfs/dbraw/zinc/33/47/27/662334727.db2.gz TYOYBQFFGWOHIP-UHFFFAOYSA-N 1 0 388.331 2.623 20 0 GFADRO [NH3+]C[C@@H]1CN(Cc2ccc(S(=O)(=O)C(F)F)cc2)CC[C@H]1C(F)(F)F ZINC000863552305 662336335 /nfs/dbraw/zinc/33/63/35/662336335.db2.gz LGGDWSWYXWBNSS-DGCLKSJQSA-N 1 0 386.386 2.642 20 0 GFADRO Cc1nn(C)c2nc(Cl)c(CN3CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C3)cc12 ZINC000863646546 662342485 /nfs/dbraw/zinc/34/24/85/662342485.db2.gz MDMKNARRNPBMHV-DGCLKSJQSA-N 1 0 375.826 2.889 20 0 GFADRO C[C@@]1(C(=O)NC[C@@H]2CCC(C)(C)C[NH2+]2)CC1(Br)Br ZINC000864090095 662354316 /nfs/dbraw/zinc/35/43/16/662354316.db2.gz ZOICVMVTSOZVRN-CABZTGNLSA-N 1 0 382.140 2.777 20 0 GFADRO CN(CC[NH+]1CCCC1)C(=O)c1cc(Br)ncc1Br ZINC000865158889 662401654 /nfs/dbraw/zinc/40/16/54/662401654.db2.gz GLRTWBZAOVPPTR-UHFFFAOYSA-N 1 0 391.107 2.774 20 0 GFADRO CN1CCN([C@@H](C[NH2+]Cc2cccnc2Br)c2cccs2)CC1 ZINC000865399774 662418965 /nfs/dbraw/zinc/41/89/65/662418965.db2.gz XEGDDLPWLCDJIA-HNNXBMFYSA-N 1 0 395.370 2.984 20 0 GFADRO COc1ncc(Br)cc1C[NH2+]C[C@@H]1CCN(CC(F)(F)F)C1 ZINC000865417843 662420263 /nfs/dbraw/zinc/42/02/63/662420263.db2.gz VUSQOENQDPBAPI-JTQLQIEISA-N 1 0 382.224 2.827 20 0 GFADRO COc1ncc(Br)cc1C[NH2+]CC1CN(C(=O)OC(C)(C)C)C1 ZINC000865512052 662425860 /nfs/dbraw/zinc/42/58/60/662425860.db2.gz BXPKPDZYBGFKQR-UHFFFAOYSA-N 1 0 386.290 2.809 20 0 GFADRO NS(=O)(=O)c1cc(C[NH2+]CC2([C@@H](O)c3ccccc3)CC2)ccc1Cl ZINC000865509401 662425932 /nfs/dbraw/zinc/42/59/32/662425932.db2.gz XSGQCIYOUIWJJN-KRWDZBQOSA-N 1 0 380.897 2.591 20 0 GFADRO COc1ncc(Br)cc1C[NH2+]Cc1cccc(N2CCOCC2)c1 ZINC000865578817 662430490 /nfs/dbraw/zinc/43/04/90/662430490.db2.gz IGGOAHFOOJMVBX-UHFFFAOYSA-N 1 0 392.297 2.979 20 0 GFADRO OCc1ccc(N2CCC(CCC[NH+]3CCOCC3)CC2)nc1Br ZINC000865666280 662435298 /nfs/dbraw/zinc/43/52/98/662435298.db2.gz MCYGMSUKMNTIJW-UHFFFAOYSA-N 1 0 398.345 2.665 20 0 GFADRO COc1ncc(Br)cc1CNc1cnn(C2CC[NH+](C)CC2)c1 ZINC000865704890 662437415 /nfs/dbraw/zinc/43/74/15/662437415.db2.gz YTPPUZSOUSCJJZ-UHFFFAOYSA-N 1 0 380.290 2.928 20 0 GFADRO Cc1cc([C@H](C)[NH2+]C[C@@]23COC(=O)N2CCOC3)sc1Br ZINC000865770514 662442449 /nfs/dbraw/zinc/44/24/49/662442449.db2.gz MWTSDTVUMNKBDX-IINYFYTJSA-N 1 0 375.288 2.691 20 0 GFADRO CNS(=O)(=O)c1ccc(CC[NH2+]Cc2cc(Br)cs2)cc1 ZINC000865818973 662445468 /nfs/dbraw/zinc/44/54/68/662445468.db2.gz JCPPUMAGACSDTE-UHFFFAOYSA-N 1 0 389.340 2.751 20 0 GFADRO CS(=O)(=O)c1ccc(C[NH2+][C@@H]2COc3cccc(Br)c3C2)cc1 ZINC000865820640 662445517 /nfs/dbraw/zinc/44/55/17/662445517.db2.gz VNFQRNHFBAQJDM-ZDUSSCGKSA-N 1 0 396.306 2.946 20 0 GFADRO O=C(Cc1ccc(Br)cc1Cl)NCCC[NH+]1CCC(O)CC1 ZINC000865952016 662453291 /nfs/dbraw/zinc/45/32/91/662453291.db2.gz NHXJGBMFNLMIBF-UHFFFAOYSA-N 1 0 389.721 2.608 20 0 GFADRO C[C@@H](CCc1cccnc1)[NH2+]CCNS(=O)(=O)c1ccc(F)cc1Cl ZINC000866353344 662468773 /nfs/dbraw/zinc/46/87/73/662468773.db2.gz GOGYNNOILZDARY-ZDUSSCGKSA-N 1 0 385.892 2.763 20 0 GFADRO Cc1ccc(C[NH+](C)C)cc1NC(=O)Cn1ccc(Br)cc1=O ZINC000866354353 662468813 /nfs/dbraw/zinc/46/88/13/662468813.db2.gz IARIFSWCMONTPT-UHFFFAOYSA-N 1 0 378.270 2.620 20 0 GFADRO C[C@@H](CCc1cccnc1)[NH2+]CCNC(=O)c1ccc(Br)cn1 ZINC000866387014 662469969 /nfs/dbraw/zinc/46/99/69/662469969.db2.gz OCPQHVAWDOVPEQ-ZDUSSCGKSA-N 1 0 377.286 2.580 20 0 GFADRO C[C@@H]([NH2+]CC[C@@H]1CCSC1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000866404209 662470761 /nfs/dbraw/zinc/47/07/61/662470761.db2.gz YSNPKLXUXJQCFW-HZPDHXFCSA-N 1 0 384.567 2.501 20 0 GFADRO CNS(=O)(=O)c1ccc(CC[NH2+][C@H](C)c2cncc(Br)c2)cc1 ZINC000866578958 662481281 /nfs/dbraw/zinc/48/12/81/662481281.db2.gz RAPXUMBVHMBKOM-GFCCVEGCSA-N 1 0 398.326 2.646 20 0 GFADRO CC(C)[NH+]1CCC(O)(CNC(=O)c2cc(F)c(Br)cc2F)CC1 ZINC000866614931 662483973 /nfs/dbraw/zinc/48/39/73/662483973.db2.gz PZWMBTQUUIWBST-UHFFFAOYSA-N 1 0 391.256 2.692 20 0 GFADRO Cc1ccc(Br)c(CS(=O)(=O)NCCC2CC[NH2+]CC2)c1 ZINC000866775359 662497218 /nfs/dbraw/zinc/49/72/18/662497218.db2.gz BHQIHLLSXRBRER-UHFFFAOYSA-N 1 0 375.332 2.567 20 0 GFADRO C[C@H](NS(=O)(=O)Cc1ccc(Br)cc1Cl)C1CC[NH2+]CC1 ZINC000866813251 662501077 /nfs/dbraw/zinc/50/10/77/662501077.db2.gz XHOVDSREHMCJNC-JTQLQIEISA-N 1 0 395.750 2.910 20 0 GFADRO COCCC1(NS(=O)(=O)c2ccc(Cl)c(F)c2Cl)CC[NH2+]CC1 ZINC000866821627 662501904 /nfs/dbraw/zinc/50/19/04/662501904.db2.gz MWDIYMHRAJJNMW-UHFFFAOYSA-N 1 0 385.288 2.570 20 0 GFADRO O=S(=O)(c1ccc(Cl)cc1Br)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000866825372 662502187 /nfs/dbraw/zinc/50/21/87/662502187.db2.gz QBMPPBXAJKXRNW-VXGBXAGGSA-N 1 0 379.707 2.618 20 0 GFADRO O=S(=O)(c1cc(Br)ccc1Cl)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000866827629 662502419 /nfs/dbraw/zinc/50/24/19/662502419.db2.gz QBMSKTMZVWUUKT-VXGBXAGGSA-N 1 0 379.707 2.618 20 0 GFADRO O=S(=O)(c1ccc2ccnc(Cl)c2c1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000866853828 662503787 /nfs/dbraw/zinc/50/37/87/662503787.db2.gz HNQVQJBBQZMQFI-CQSZACIVSA-N 1 0 379.913 2.995 20 0 GFADRO CC[NH+](CC)CCCC1CCN(S(=O)(=O)N=S(=O)(CC)CC)CC1 ZINC000867085742 662521716 /nfs/dbraw/zinc/52/17/16/662521716.db2.gz AVVYZDJTLZNFFG-UHFFFAOYSA-N 1 0 381.608 2.573 20 0 GFADRO C[NH+](C)CCCC(C)(C)NS(=O)(=O)c1cc2nc(Cl)ncc2s1 ZINC000867352564 662544436 /nfs/dbraw/zinc/54/44/36/662544436.db2.gz FKXKEINTXCFWIV-UHFFFAOYSA-N 1 0 376.935 2.743 20 0 GFADRO O=S(=O)(c1cc(Cl)cnc1Cl)N1CCCN(c2cc[nH+]cc2)CC1 ZINC000867705830 662568419 /nfs/dbraw/zinc/56/84/19/662568419.db2.gz MKEHSAPLICOLGI-UHFFFAOYSA-N 1 0 387.292 2.684 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(S(=O)(=O)c3cccc(Br)c3Cl)CC[C@@H]21 ZINC000867809576 662578465 /nfs/dbraw/zinc/57/84/65/662578465.db2.gz SSKRACPTKDNIHY-PWSUYJOCSA-N 1 0 393.734 2.817 20 0 GFADRO Cc1cc(Br)c(S(=O)(=O)N2CC[C@@H]3[C@H](CC[N@H+]3C)C2)s1 ZINC000867812976 662579490 /nfs/dbraw/zinc/57/94/90/662579490.db2.gz OTVPPMAPJDJCKU-ZYHUDNBSSA-N 1 0 379.345 2.534 20 0 GFADRO CC(C)CN(CC1CC[NH+](C)CC1)S(=O)(=O)c1cnc(Cl)c(F)c1 ZINC000867864080 662584020 /nfs/dbraw/zinc/58/40/20/662584020.db2.gz NCXQOACPNAJWLG-UHFFFAOYSA-N 1 0 377.913 2.863 20 0 GFADRO Cc1noc(C2CCN(C(=O)[C@@H]([NH3+])c3cccc(Br)c3)CC2)n1 ZINC000867942881 662588404 /nfs/dbraw/zinc/58/84/04/662588404.db2.gz XVQDTCMYHNUCFN-AWEZNQCLSA-N 1 0 379.258 2.547 20 0 GFADRO CCOC(=O)c1ccc(CNC(=O)[C@@H]([NH3+])c2cccc(Br)c2)o1 ZINC000867943953 662588649 /nfs/dbraw/zinc/58/86/49/662588649.db2.gz LGOCVQCYSZIIAR-AWEZNQCLSA-N 1 0 381.226 2.535 20 0 GFADRO [NH3+]C[C@H](NC(=O)c1c(F)ccc(I)c1Cl)C1CC1 ZINC000867960105 662589628 /nfs/dbraw/zinc/58/96/28/662589628.db2.gz GNRIPQCVYDMRQY-VIFPVBQESA-N 1 0 382.604 2.551 20 0 GFADRO C[C@@H](NC(=O)COc1ccc(Br)cc1Cl)C1CC[NH2+]CC1 ZINC000868001432 662590883 /nfs/dbraw/zinc/59/08/83/662590883.db2.gz BQWSFRMCABSDNV-SNVBAGLBSA-N 1 0 375.694 2.986 20 0 GFADRO COC(=O)c1cc(NC(=O)N2CCC[C@@H]3[NH2+]CC[C@H]32)c(C)cc1Br ZINC000868158160 662597015 /nfs/dbraw/zinc/59/70/15/662597015.db2.gz JCLCGVUFQXRLEF-DZGCQCFKSA-N 1 0 396.285 2.902 20 0 GFADRO COc1ccc(Br)cc1CNC(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000868177999 662597746 /nfs/dbraw/zinc/59/77/46/662597746.db2.gz UPVVMYAZNZNFLR-SWLSCSKDSA-N 1 0 382.302 2.693 20 0 GFADRO O=C(NCCSCCC(F)(F)F)NCC1([NH+]2CCCC2)CCOCC1 ZINC000868287431 662600590 /nfs/dbraw/zinc/60/05/90/662600590.db2.gz YNDKNJWSBXDXIT-UHFFFAOYSA-N 1 0 383.480 2.616 20 0 GFADRO CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)C(=O)Nc2cccc(Br)c2)C1 ZINC000868310441 662601540 /nfs/dbraw/zinc/60/15/40/662601540.db2.gz TZPDAEVBDQGROH-KRWDZBQOSA-N 1 0 382.302 2.611 20 0 GFADRO C[NH+](C)CC1CN(C(=O)c2c(F)ccc(I)c2Cl)C1 ZINC000868631014 662612813 /nfs/dbraw/zinc/61/28/13/662612813.db2.gz MSDFEOPOGJZIJR-UHFFFAOYSA-N 1 0 396.631 2.717 20 0 GFADRO C[NH+](C)CC1CN(C(=O)c2ccc(OC(F)(F)F)cc2Br)C1 ZINC000868630478 662612816 /nfs/dbraw/zinc/61/28/16/662612816.db2.gz DSGDRBFIOBNMJY-UHFFFAOYSA-N 1 0 381.192 2.981 20 0 GFADRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)N[C@@H]2[C@H]3Cc4ccc(Br)cc4[C@@H]23)C1 ZINC000868752710 662617680 /nfs/dbraw/zinc/61/76/80/662617680.db2.gz WXBNSHKVIKKJSY-VFPYKDBSSA-N 1 0 378.314 2.727 20 0 GFADRO CC(=O)N[C@@H](C(=O)NC1CCC([NH+](C)C)CC1)c1cccc(Br)c1 ZINC000868924266 662625085 /nfs/dbraw/zinc/62/50/85/662625085.db2.gz MGGDXAGOGGDYFG-OFLPRAFFSA-N 1 0 396.329 2.615 20 0 GFADRO O=C(CCCC[NH+]1CCCC1)N1CC(O)(c2ccc(Br)cc2)C1 ZINC000869342831 662642893 /nfs/dbraw/zinc/64/28/93/662642893.db2.gz MCHPCQLMYCDAKF-UHFFFAOYSA-N 1 0 381.314 2.745 20 0 GFADRO CCn1cc(Br)cc1C(=O)N(CCOC)CC1CC[NH+](C)CC1 ZINC000869766273 662660560 /nfs/dbraw/zinc/66/05/60/662660560.db2.gz ZPPKDRUQUSONNN-UHFFFAOYSA-N 1 0 386.334 2.701 20 0 GFADRO COCCN(CC1CC[NH+](C)CC1)C(=O)c1ccc(Br)s1 ZINC000869770404 662660720 /nfs/dbraw/zinc/66/07/20/662660720.db2.gz UOEOSSSFYUMUDG-UHFFFAOYSA-N 1 0 375.332 2.941 20 0 GFADRO CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)c2cc(Cl)c(Br)cc2F)C1 ZINC000869777849 662661322 /nfs/dbraw/zinc/66/13/22/662661322.db2.gz PKGWHLINALBHGY-VIFPVBQESA-N 1 0 393.684 2.817 20 0 GFADRO CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)C(C)(C)c2ccccc2Br)C1 ZINC000869777039 662661400 /nfs/dbraw/zinc/66/14/00/662661400.db2.gz FXSDBSOCTAHEQK-ZDUSSCGKSA-N 1 0 383.330 2.688 20 0 GFADRO C[C@H](C(=O)N[C@H]1CC[N@H+](CC(C)(C)O)C1)c1ccc(Br)s1 ZINC000869780740 662661631 /nfs/dbraw/zinc/66/16/31/662661631.db2.gz QQRUORJWXUDKGT-QWRGUYRKSA-N 1 0 375.332 2.576 20 0 GFADRO CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)CCC(=O)c2cc(Cl)sc2Cl)C1 ZINC000869779815 662661706 /nfs/dbraw/zinc/66/17/06/662661706.db2.gz JAWAVKMWEAEALX-JTQLQIEISA-N 1 0 393.336 2.979 20 0 GFADRO C[NH+](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)OCc1c(Cl)cncc1Cl ZINC000869833326 662663628 /nfs/dbraw/zinc/66/36/28/662663628.db2.gz YCZLEKUKAWWQSK-ZDUSSCGKSA-N 1 0 392.283 2.887 20 0 GFADRO CC(C)n1ncc(C(=O)OCC[C@H]2CC[N@H+](C)C2)c1I ZINC000870457827 662690702 /nfs/dbraw/zinc/69/07/02/662690702.db2.gz LDHXDIPADQWNRM-LLVKDONJSA-N 1 0 391.253 2.567 20 0 GFADRO C[C@@H](NC(=O)[C@H]1CC[C@H]([NH3+])CC1)c1cc2c(cc1Br)OCCO2 ZINC000870870335 662703930 /nfs/dbraw/zinc/70/39/30/662703930.db2.gz PUZCRZFEBQLFTD-IJLUTSLNSA-N 1 0 383.286 2.915 20 0 GFADRO [NH3+][C@H]1CC[C@@H](C(=O)NC[C@H]2CCN(c3cccc(Br)c3)C2)CC1 ZINC000870873184 662704122 /nfs/dbraw/zinc/70/41/22/662704122.db2.gz DGHCMIMGYFVYRW-FMKPAKJESA-N 1 0 380.330 2.909 20 0 GFADRO CC(C)CC(=O)N1CCC(NC(=O)[C@H]([NH3+])c2cccc(Br)c2)CC1 ZINC000870875052 662704387 /nfs/dbraw/zinc/70/43/87/662704387.db2.gz UKOSDJOVKXARIZ-QGZVFWFLSA-N 1 0 396.329 2.602 20 0 GFADRO CC(C)[N@H+](C)CC(=O)Nc1ccc(N2CC[C@@H](CO)C2)c(Br)c1 ZINC000870890241 662706614 /nfs/dbraw/zinc/70/66/14/662706614.db2.gz KSUBXOBNUGDXDT-CYBMUJFWSA-N 1 0 384.318 2.546 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CN(C(=O)c2ccc(OC(F)(F)F)cc2Br)CCO1 ZINC000870938492 662709331 /nfs/dbraw/zinc/70/93/31/662709331.db2.gz QGSDCPALPDRUBQ-UFBFGSQYSA-N 1 0 397.191 2.536 20 0 GFADRO O=C(N[C@@H]1CCC[NH2+]CC1)c1c(F)ccc(I)c1Cl ZINC000870941618 662709456 /nfs/dbraw/zinc/70/94/56/662709456.db2.gz ZKLJVSURHRJSNH-MRVPVSSYSA-N 1 0 396.631 2.956 20 0 GFADRO Cn1cc([C@H]2N(C(=O)[C@H]([NH3+])c3cccc(Br)c3)CC2(C)C)cn1 ZINC000870957688 662711463 /nfs/dbraw/zinc/71/14/63/662711463.db2.gz ACGUZFWJHPAHJW-HUUCEWRRSA-N 1 0 377.286 2.792 20 0 GFADRO Cn1cc([C@H]2N(C(=O)[C@@H]([NH3+])c3cccc(Br)c3)CC2(C)C)cn1 ZINC000870957690 662711511 /nfs/dbraw/zinc/71/15/11/662711511.db2.gz ACGUZFWJHPAHJW-LSDHHAIUSA-N 1 0 377.286 2.792 20 0 GFADRO C[C@@H](NC(=O)CNC(=O)c1sc2ccccc2c1Cl)C1CC[NH2+]CC1 ZINC000870984561 662712194 /nfs/dbraw/zinc/71/21/94/662712194.db2.gz YZPKLDYZLNTOHD-LLVKDONJSA-N 1 0 379.913 2.789 20 0 GFADRO COC[C@H](NC(=O)[C@@H]1C[C@H]1C1CC[NH2+]CC1)c1cccc(Br)c1 ZINC000871008967 662712674 /nfs/dbraw/zinc/71/26/74/662712674.db2.gz SXHWIZZNNLBUNZ-BBWFWOEESA-N 1 0 381.314 2.889 20 0 GFADRO CC(C)(C)[C@@]1(C[NH3+])CCN(C(=O)CN2C(=S)N=NC2c2cccs2)C1 ZINC000870996201 662712688 /nfs/dbraw/zinc/71/26/88/662712688.db2.gz ZMIGYJDRJTZRQE-QGZVFWFLSA-N 1 0 379.555 2.519 20 0 GFADRO Cn1c(-c2ccccc2Br)nnc1N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000871048360 662714184 /nfs/dbraw/zinc/71/41/84/662714184.db2.gz MZQDXOKOWAHPGQ-WFASDCNBSA-N 1 0 376.302 2.775 20 0 GFADRO C[NH+](C)C1(C)CCC(NC(=O)c2ccc(Cl)c(NS(C)(=O)=O)c2)CC1 ZINC000871357477 662720339 /nfs/dbraw/zinc/72/03/39/662720339.db2.gz KSWNIXGGKGOVAZ-UHFFFAOYSA-N 1 0 387.933 2.704 20 0 GFADRO [NH3+]C[C@H]1CN(S(=O)(=O)c2c(Cl)cccc2Cl)C[C@@H]1C(F)(F)F ZINC000871812097 662735120 /nfs/dbraw/zinc/73/51/20/662735120.db2.gz VQAVVYJEHJYIPG-YUMQZZPRSA-N 1 0 377.215 2.751 20 0 GFADRO O=S(=O)(NC[C@H]1CC2(CO1)CC[NH2+]CC2)c1ccc(Cl)c(F)c1Cl ZINC000871812042 662735165 /nfs/dbraw/zinc/73/51/65/662735165.db2.gz YWXZTSNYYSPKTJ-SNVBAGLBSA-N 1 0 397.299 2.570 20 0 GFADRO O=S(=O)(N[C@@H]1CCCCC12CC[NH2+]CC2)c1ccc(Br)o1 ZINC000871819711 662735806 /nfs/dbraw/zinc/73/58/06/662735806.db2.gz XJAWSZJPIODURF-LLVKDONJSA-N 1 0 377.304 2.633 20 0 GFADRO CC(=O)Nc1cc(F)c(S(=O)(=O)N(C)CCCCCC[NH3+])cc1Cl ZINC000871821266 662735910 /nfs/dbraw/zinc/73/59/10/662735910.db2.gz LTXMADFYSUROEH-UHFFFAOYSA-N 1 0 379.885 2.577 20 0 GFADRO C[C@H]([NH2+][C@@H](C)c1ccnn1C)C(=O)N(C)Cc1ccc(Br)cc1 ZINC000871926960 662742947 /nfs/dbraw/zinc/74/29/47/662742947.db2.gz LSRJGQYRFADJCI-STQMWFEESA-N 1 0 379.302 2.880 20 0 GFADRO O[C@H](C[NH2+][C@@H](c1cccc(Br)c1)[C@@H]1CCOC1)C1CCOCC1 ZINC000872050381 662754860 /nfs/dbraw/zinc/75/48/60/662754860.db2.gz ZKIDHELQCLFANC-NXHRZFHOSA-N 1 0 384.314 2.904 20 0 GFADRO O=S1(=O)CC(CC[NH2+][C@H](c2cccc(Br)c2)[C@@H]2CCOC2)C1 ZINC000872064743 662754996 /nfs/dbraw/zinc/75/49/96/662754996.db2.gz LFSUVPHYOKURLH-GDBMZVCRSA-N 1 0 388.327 2.551 20 0 GFADRO CS(=O)(=O)C1(C[NH2+][C@H](c2cccc(Br)c2)[C@H]2CCOC2)CC1 ZINC000872069269 662755106 /nfs/dbraw/zinc/75/51/06/662755106.db2.gz OHFGQLMYZVVUBU-DZGCQCFKSA-N 1 0 388.327 2.694 20 0 GFADRO C[C@@H]([NH2+]CCOC(F)(F)C(F)(F)F)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000872110715 662756275 /nfs/dbraw/zinc/75/62/75/662756275.db2.gz ODDKXTCLMUFWOR-SNVBAGLBSA-N 1 0 390.374 2.759 20 0 GFADRO [NH3+]C[C@@H]1CN(Cc2cc3c(cc2Br)OCCO3)C[C@H]1C(F)(F)F ZINC000872148099 662756605 /nfs/dbraw/zinc/75/66/05/662756605.db2.gz NIXKKBLXMMHZLQ-GHMZBOCLSA-N 1 0 395.219 2.789 20 0 GFADRO CN(CCCCCC[NH3+])CCS(=O)(=O)c1ccc(Br)cc1 ZINC000872155676 662757068 /nfs/dbraw/zinc/75/70/68/662757068.db2.gz YIGMCGSBVXHLKC-UHFFFAOYSA-N 1 0 377.348 2.674 20 0 GFADRO CC(C)(O)C[C@@H](O)C[NH2+][C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O ZINC000872207348 662758100 /nfs/dbraw/zinc/75/81/00/662758100.db2.gz NOGNCOMFEPEVPX-TZMCWYRMSA-N 1 0 375.296 2.600 20 0 GFADRO O[C@@H](C[NH2+]C[C@@H]1CCC12CCOCC2)COc1cccc(Br)c1 ZINC000872229796 662758381 /nfs/dbraw/zinc/75/83/81/662758381.db2.gz SPFPPYLJBNRMMN-HOCLYGCPSA-N 1 0 384.314 2.985 20 0 GFADRO C[C@@]12CN(S(=O)(=O)CCC(F)(F)F)C[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000872597931 662779404 /nfs/dbraw/zinc/77/94/04/662779404.db2.gz URPDCXHQQHWWNK-JKSUJKDBSA-N 1 0 376.444 2.723 20 0 GFADRO O=C1NCCC12CC[NH+](Cn1ccc(-c3ccc(Br)cc3)n1)CC2 ZINC000872788493 662788639 /nfs/dbraw/zinc/78/86/39/662788639.db2.gz FXAAZJOHYJSOHH-UHFFFAOYSA-N 1 0 389.297 2.872 20 0 GFADRO C[NH+](C)[C@@]1(CNC(=O)NCc2cc(C(F)(F)F)cc(Cl)n2)CCSC1 ZINC000872924109 662793781 /nfs/dbraw/zinc/79/37/81/662793781.db2.gz IJKGCYMDIRUGQM-CQSZACIVSA-N 1 0 396.866 2.990 20 0 GFADRO CC1([NH+]2CCCCC2)CCN(C(=O)NCCn2cc(Br)cn2)CC1 ZINC000873011474 662796190 /nfs/dbraw/zinc/79/61/90/662796190.db2.gz YVBRVZAYMWHMEC-UHFFFAOYSA-N 1 0 398.349 2.696 20 0 GFADRO Cc1ccc(Br)c(F)c1C[NH2+]C[C@H]1CCC[C@@]12NC(=O)N(C)C2=O ZINC000873068804 662798413 /nfs/dbraw/zinc/79/84/13/662798413.db2.gz AKTYQMOXLCNNDR-PIGZYNQJSA-N 1 0 398.276 2.707 20 0 GFADRO O=C(NCc1ccc(C(F)(F)F)s1)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000873072045 662798689 /nfs/dbraw/zinc/79/86/89/662798689.db2.gz PPCSTDWKTFBLSE-GFCCVEGCSA-N 1 0 377.432 2.819 20 0 GFADRO COc1ccc(Cn2cc(C[NH2+][C@@H]3CC[C@@H]4SCCS[C@@H]34)nn2)cc1 ZINC000873097856 662799595 /nfs/dbraw/zinc/79/95/95/662799595.db2.gz XFVIZEJOLCLKEE-SQNIBIBYSA-N 1 0 376.551 2.804 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)Nc2nnc(-c3ccsc3)s2)C[C@H]1C(F)(F)F ZINC000873303702 662805009 /nfs/dbraw/zinc/80/50/09/662805009.db2.gz LDSACXWFQXGDHS-RKDXNWHRSA-N 1 0 377.417 2.868 20 0 GFADRO COC(=O)c1cccc(NC(=O)N[C@@]23CCC[C@H]2[NH2+]CC3)c1Br ZINC000873324881 662805500 /nfs/dbraw/zinc/80/55/00/662805500.db2.gz UQHJYFHZYSQQEB-MLGOLLRUSA-N 1 0 382.258 2.642 20 0 GFADRO CCc1ccc(Br)c(NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C)C[C@H]2C)c1 ZINC000873830026 662815634 /nfs/dbraw/zinc/81/56/34/662815634.db2.gz BNAUCDLAXDOFSC-MLGOLLRUSA-N 1 0 396.329 2.749 20 0 GFADRO Cc1c(Br)ccnc1NC(=O)[C@H]1CC[N@@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000875791777 662852109 /nfs/dbraw/zinc/85/21/09/662852109.db2.gz PBVDFYPFGPSRDO-UONOGXRCSA-N 1 0 392.301 2.560 20 0 GFADRO C[NH+](C)C[C@@H]1CCN(C(=O)N[C@@H]2[C@H]3Cc4ccc(Br)cc4[C@@H]23)C1 ZINC000876266982 662858637 /nfs/dbraw/zinc/85/86/37/662858637.db2.gz XWPQNQBNYSQTKW-IAOMBJDPSA-N 1 0 378.314 2.680 20 0 GFADRO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)NCc2ncc(Br)s2)C1 ZINC000876286224 662858949 /nfs/dbraw/zinc/85/89/49/662858949.db2.gz PTFKSAKAOJWSMS-LBPRGKRZSA-N 1 0 387.347 2.779 20 0 GFADRO Cc1cnn([C@H]2CCC[NH2+]C2)c1C(=O)NCc1ccc(Br)cc1 ZINC000876574563 662863056 /nfs/dbraw/zinc/86/30/56/662863056.db2.gz WPNUMZGQAYLZRF-HNNXBMFYSA-N 1 0 377.286 2.809 20 0 GFADRO COC(=O)[C@H](NC(=O)c1sc(C2CC[NH2+]CC2)nc1C)c1cccs1 ZINC000876603900 662863296 /nfs/dbraw/zinc/86/32/96/662863296.db2.gz DQHSGJDCIYOHIL-CYBMUJFWSA-N 1 0 379.507 2.624 20 0 GFADRO CC1(C)[C@H](C(=O)NC2(c3cccc(Br)c3)CCOCC2)C[C@@H]1[NH3+] ZINC000876615828 662863532 /nfs/dbraw/zinc/86/35/32/662863532.db2.gz MGBAQLLCZJDJEP-GJZGRUSLSA-N 1 0 381.314 2.944 20 0 GFADRO O=C(NC1(c2cccc(Br)c2)CCOCC1)[C@@H](F)[C@@H]1CC[NH2+]C1 ZINC000876616325 662863544 /nfs/dbraw/zinc/86/35/44/662863544.db2.gz WGYAWDHQTTVDEK-DOMZBBRYSA-N 1 0 385.277 2.519 20 0 GFADRO O=C(/C=C/[C@@H]1CCC[NH2+]C1)N1CCO[C@H](c2cccc(Br)c2)C1 ZINC000876629356 662863777 /nfs/dbraw/zinc/86/37/77/662863777.db2.gz ZSSHKISJNMPKQE-MFTLYIETSA-N 1 0 379.298 2.905 20 0 GFADRO C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)NCCC(=O)Nc1ccc(Br)cc1C ZINC000876633186 662863911 /nfs/dbraw/zinc/86/39/11/662863911.db2.gz OATDYSOYOWEGMN-PRXHZCDDSA-N 1 0 394.313 2.614 20 0 GFADRO COc1cc(CNC(=O)[C@]23CCC[C@H]2[NH2+]CC3)cc(Br)c1OC ZINC000876638015 662864023 /nfs/dbraw/zinc/86/40/23/662864023.db2.gz ZLZCGJZBEQWXDB-PBHICJAKSA-N 1 0 383.286 2.615 20 0 GFADRO O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1cc2ccnc(Cl)c2s1 ZINC000876840558 662867245 /nfs/dbraw/zinc/86/72/45/662867245.db2.gz CAGSOJRSGJYYSU-NSHDSACASA-N 1 0 392.834 2.516 20 0 GFADRO Cn1ncc(C[NH3+])c1C(=O)NCc1ccc(Br)cc1C(F)(F)F ZINC000876876566 662867556 /nfs/dbraw/zinc/86/75/56/662867556.db2.gz RPWJAQLIXHKCQS-UHFFFAOYSA-N 1 0 391.191 2.590 20 0 GFADRO O=C(c1cc(Br)cn2ccnc12)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000876912528 662868026 /nfs/dbraw/zinc/86/80/26/662868026.db2.gz HDAVUEKZXBDLOR-IUODEOHRSA-N 1 0 377.286 2.701 20 0 GFADRO CC(C)n1ncc(C(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)c1Br ZINC000876920862 662868151 /nfs/dbraw/zinc/86/81/51/662868151.db2.gz DQZVNGRVVFPATG-LSDHHAIUSA-N 1 0 395.276 2.933 20 0 GFADRO C[C@]12CCN(C(=O)CC[NH2+]CC3CC3)C[C@H]1C2(Br)Br ZINC000876959867 662868697 /nfs/dbraw/zinc/86/86/97/662868697.db2.gz YEBFEGHRQJWIOY-YPMHNXCESA-N 1 0 394.151 2.731 20 0 GFADRO O=C(NCc1cc(Cl)ccc1I)[C@@H](F)[C@H]1CC[NH2+]C1 ZINC000876959799 662868724 /nfs/dbraw/zinc/86/87/24/662868724.db2.gz PDVPKOJCQKKSNV-UFBFGSQYSA-N 1 0 396.631 2.508 20 0 GFADRO C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)N1Cc2sc(C(=O)OC)c(Br)c2C1 ZINC000876981470 662869216 /nfs/dbraw/zinc/86/92/16/662869216.db2.gz QLGRBYFYHMMILC-HIHHVFROSA-N 1 0 399.310 2.551 20 0 GFADRO COc1cccc([C@H](CNC(=O)[C@H]([NH3+])c2cccc(Br)c2)OC)c1 ZINC000876990384 662869241 /nfs/dbraw/zinc/86/92/41/662869241.db2.gz ZXXHPUJLQFNXHI-DLBZAZTESA-N 1 0 393.281 2.961 20 0 GFADRO C[C@@H](NC(=O)CO[C@H]1CCC[NH2+]C1)c1cc(F)c(Br)cc1F ZINC000877000031 662869463 /nfs/dbraw/zinc/86/94/63/662869463.db2.gz IPYANWCAHPNOPB-ZJUUUORDSA-N 1 0 377.229 2.673 20 0 GFADRO O=C(N[C@H]1CC[NH2+]C12CCC2)c1cnn(-c2ccccc2)c1Br ZINC000877004104 662869468 /nfs/dbraw/zinc/86/94/68/662869468.db2.gz FYYKGDRVYUSYAE-AWEZNQCLSA-N 1 0 375.270 2.649 20 0 GFADRO O=C(NCCC[NH2+]Cc1ccc(Cl)nn1)c1ccc(Br)cc1 ZINC000876998900 662869500 /nfs/dbraw/zinc/86/95/00/662869500.db2.gz UBGQVOQOYBFCSF-UHFFFAOYSA-N 1 0 383.677 2.802 20 0 GFADRO CC(C)(Sc1ccc(Br)cc1)C(=O)NCC1([NH3+])CCOCC1 ZINC000877013494 662869694 /nfs/dbraw/zinc/86/96/94/662869694.db2.gz AQWPHECXPPRNNT-UHFFFAOYSA-N 1 0 387.343 2.944 20 0 GFADRO COc1cccc(C)c1C[NH2+]CC1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000877029239 662869932 /nfs/dbraw/zinc/86/99/32/662869932.db2.gz WQBMETHSBBACFL-UHFFFAOYSA-N 1 0 380.432 2.655 20 0 GFADRO O=S1(=O)CCC(C[NH2+]CCOc2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000877055891 662870298 /nfs/dbraw/zinc/87/02/98/662870298.db2.gz WNIYEJJHDOVHDX-UHFFFAOYSA-N 1 0 386.823 2.547 20 0 GFADRO CSCC[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)N(C)C[C@H](C)[NH3+] ZINC000877096439 662870963 /nfs/dbraw/zinc/87/09/63/662870963.db2.gz GVXWUOYQSPARNM-IINYFYTJSA-N 1 0 392.352 2.651 20 0 GFADRO O=S(=O)(C1CC1)N1CCC([NH2+]Cc2cc3nc(Cl)ccc3s2)CC1 ZINC000877092752 662871004 /nfs/dbraw/zinc/87/10/04/662871004.db2.gz JKIJHHHAFIMKDK-UHFFFAOYSA-N 1 0 385.942 2.996 20 0 GFADRO COC(=O)c1ccc(C[NH2+][C@H]2c3ccccc3C[C@@H]2O)cc1Br ZINC000877093580 662871006 /nfs/dbraw/zinc/87/10/06/662871006.db2.gz JUWIUCMXMWTARI-IRXDYDNUSA-N 1 0 376.250 2.984 20 0 GFADRO C[C@H]([NH3+])CN(C)C(=O)c1ccccc1N(C)C(=O)c1ccc(Br)o1 ZINC000877100334 662871091 /nfs/dbraw/zinc/87/10/91/662871091.db2.gz SDECXZITMSOUDY-NSHDSACASA-N 1 0 394.269 2.738 20 0 GFADRO CCO[P@](C)(=O)CC[C@@H](C)[NH2+]CCNS(=O)(=O)c1ccc(C)s1 ZINC000877116677 662871320 /nfs/dbraw/zinc/87/13/20/662871320.db2.gz STIHTJZUWYTQHF-GTJPDFRWSA-N 1 0 382.488 2.647 20 0 GFADRO CO[C@@H](c1ccc(Br)cc1)[C@@H](C)[NH2+]CC1CCS(=O)(=O)CC1 ZINC000877134012 662871522 /nfs/dbraw/zinc/87/15/22/662871522.db2.gz UWNIDMCKKYMLLL-MLGOLLRUSA-N 1 0 390.343 2.940 20 0 GFADRO [NH3+]CC12CCC(CC1)N2C(=O)C1CCN(C(=O)c2ccc(Cl)s2)CC1 ZINC000877190998 662872180 /nfs/dbraw/zinc/87/21/80/662872180.db2.gz YICZINBGMKTUPP-UHFFFAOYSA-N 1 0 381.929 2.736 20 0 GFADRO C[C@]([NH3+])(C(=O)N[C@H](C1CCC1)[C@H]1CCOC1)c1ccc(Br)cc1 ZINC000877231816 662872350 /nfs/dbraw/zinc/87/23/50/662872350.db2.gz UOBDBTQJBIAFOL-FDQGKXFDSA-N 1 0 381.314 2.944 20 0 GFADRO C[S@@](=O)C1(C(=O)N2CCC(Cc3ccc(Cl)cc3)CC2)CC[NH2+]CC1 ZINC000877248695 662872506 /nfs/dbraw/zinc/87/25/06/662872506.db2.gz BWARZPWKIFSEIM-RUZDIDTESA-N 1 0 382.957 2.622 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)c2nc(Br)sc2Cl)C[C@@H]1C(F)(F)F ZINC000877354186 662874098 /nfs/dbraw/zinc/87/40/98/662874098.db2.gz CIXYNESFJIHOPY-WHFBIAKZSA-N 1 0 392.628 2.768 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)Cc2ccc(Br)cc2F)C[C@@H]1C(F)(F)F ZINC000877358333 662874431 /nfs/dbraw/zinc/87/44/31/662874431.db2.gz WLMGSYODWJSAMV-ONGXEEELSA-N 1 0 383.183 2.726 20 0 GFADRO C[C@]12C[NH2+]C[C@H]1CN(C(=O)c1cc(Br)cc(N3CCCC3)c1)C2 ZINC000877372274 662874955 /nfs/dbraw/zinc/87/49/55/662874955.db2.gz AFFXPUNVRDKKTK-KBXCAEBGSA-N 1 0 378.314 2.731 20 0 GFADRO COC(=O)CC[C@@H]1CCCN(C(=O)[C@@H]([NH3+])c2cccc(Br)c2)C1 ZINC000877380354 662875075 /nfs/dbraw/zinc/87/50/75/662875075.db2.gz HXTCRAUQGCAUNW-LRDDRELGSA-N 1 0 383.286 2.641 20 0 GFADRO CN(CCCCCC[NH3+])C(=O)CCNC(=O)Nc1ccc(Br)cc1 ZINC000877441697 662876044 /nfs/dbraw/zinc/87/60/44/662876044.db2.gz PKEPKGQBHXHUOX-UHFFFAOYSA-N 1 0 399.333 2.938 20 0 GFADRO CS(=O)(=O)c1ccc(C(=O)N2CCC[C@H](C[C@@H]([NH3+])C3CCCC3)C2)s1 ZINC000877443232 662876075 /nfs/dbraw/zinc/87/60/75/662876075.db2.gz CBUUBIYLFFSWEP-UKRRQHHQSA-N 1 0 384.567 2.911 20 0 GFADRO CCOP(=O)(CCC[NH2+][C@@H]1CCCN(C(=O)N2CCCC2)C1)OCC ZINC000877516554 662877777 /nfs/dbraw/zinc/87/77/77/662877777.db2.gz FSVUVWPKNDCSFQ-MRXNPFEDSA-N 1 0 375.450 2.912 20 0 GFADRO COC(=O)c1ccc(C[NH2+]C[C@H]2CC3(CO2)CCOCC3)cc1Br ZINC000877728437 662882571 /nfs/dbraw/zinc/88/25/71/662882571.db2.gz OXBLIDWLYBHFAJ-CQSZACIVSA-N 1 0 398.297 2.911 20 0 GFADRO C[NH+]1CCC(NC(=O)CN2CCc3sccc3[C@H]2c2cccs2)CC1 ZINC000877894379 662885462 /nfs/dbraw/zinc/88/54/62/662885462.db2.gz LGXPNJPNYHXQAD-IBGZPJMESA-N 1 0 375.563 2.968 20 0 GFADRO O[C@@H](C[NH2+][C@H](Cn1cccn1)c1ccccc1)c1cc(Br)no1 ZINC000878256318 662892630 /nfs/dbraw/zinc/89/26/30/662892630.db2.gz BKKFCCQUHZVWMO-KGLIPLIRSA-N 1 0 377.242 2.698 20 0 GFADRO COC[C@H]([NH2+]C[C@@H](O)c1cc(Br)no1)c1ccc(F)c(F)c1 ZINC000878368876 662894585 /nfs/dbraw/zinc/89/45/85/662894585.db2.gz GTOPQIHQJCUEJW-NWDGAFQWSA-N 1 0 377.185 2.726 20 0 GFADRO O[C@H](C[NH2+][C@H](c1ccc2c(c1)OCCO2)C1CC1)c1cc(Br)no1 ZINC000878373748 662894802 /nfs/dbraw/zinc/89/48/02/662894802.db2.gz BRPMCIGPJHABMP-PXAZEXFGSA-N 1 0 395.253 2.983 20 0 GFADRO OCC[N@@H+](Cc1ccc(Br)s1)C[C@H]1CC2(CO1)CCOCC2 ZINC000878506857 662897637 /nfs/dbraw/zinc/89/76/37/662897637.db2.gz NLCGOUGSXOSTCG-CYBMUJFWSA-N 1 0 390.343 2.891 20 0 GFADRO C[NH+]1CCC(NC(=O)CN2CCC[C@H]2c2ccc(Br)c(F)c2)CC1 ZINC000878546943 662898624 /nfs/dbraw/zinc/89/86/24/662898624.db2.gz RIWXWWBUOBHLOA-KRWDZBQOSA-N 1 0 398.320 2.936 20 0 GFADRO CC(C)(C)S(=O)(=O)CCC[NH2+][C@](C)(CO)c1ccc(Br)cc1 ZINC000878602778 662900006 /nfs/dbraw/zinc/90/00/06/662900006.db2.gz GADOHGGFGKTWIX-MRXNPFEDSA-N 1 0 392.359 2.850 20 0 GFADRO CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)C(=O)Nc2c(C)csc2C(=O)OC)[C@@H]1SC ZINC000878765434 662904670 /nfs/dbraw/zinc/90/46/70/662904670.db2.gz NKZLFBBGRJNRRR-SFTQSGBHSA-N 1 0 386.539 2.669 20 0 GFADRO Brc1cncc(O[C@@H]2CC[N@H+](C[C@H]3CC4(CO3)CCOCC4)C2)c1 ZINC000878875784 662908082 /nfs/dbraw/zinc/90/80/82/662908082.db2.gz FUTXWQTXRVQMQB-NVXWUHKLSA-N 1 0 397.313 2.883 20 0 GFADRO C[N@H+](CCc1ccccc1)[C@@H]1CCN(C[C@@H](O)c2cc(Br)no2)C1 ZINC000878935543 662910183 /nfs/dbraw/zinc/91/01/83/662910183.db2.gz CMNWKKJXDIQQNT-HZPDHXFCSA-N 1 0 394.313 2.719 20 0 GFADRO C[C@](O)(C[NH+]1CCC2(CCSCC2)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000879200047 662920365 /nfs/dbraw/zinc/92/03/65/662920365.db2.gz DEXIGWAJJNEIFK-SFHVURJKSA-N 1 0 383.579 2.907 20 0 GFADRO CC1([NH+]2CCC2)CCN(C(=O)Nc2nc3cc(Br)ccn3n2)CC1 ZINC000879788183 662939484 /nfs/dbraw/zinc/93/94/84/662939484.db2.gz TVANCYZLCYRJAA-UHFFFAOYSA-N 1 0 393.289 2.584 20 0 GFADRO CC(C)(O)[C@@H]1CCC[N@H+](C[C@@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000879963907 662943525 /nfs/dbraw/zinc/94/35/25/662943525.db2.gz QUQJUEZRONQAFG-IUODEOHRSA-N 1 0 390.293 2.811 20 0 GFADRO CC(C)(O)[C@H]1CCC[N@H+](C[C@@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000879963908 662943550 /nfs/dbraw/zinc/94/35/50/662943550.db2.gz QUQJUEZRONQAFG-SWLSCSKDSA-N 1 0 390.293 2.811 20 0 GFADRO Cc1csc([C@@H]2CC[N@H+](C[C@](C)(O)c3ccc(S(C)(=O)=O)cc3)C2)n1 ZINC000880010274 662945220 /nfs/dbraw/zinc/94/52/20/662945220.db2.gz WEWXORQYFHLURB-KDOFPFPSSA-N 1 0 380.535 2.552 20 0 GFADRO C[N@@H+]1CCC[C@H]2[C@H]1CCN2CC(=O)Nc1c(F)cc(F)cc1Br ZINC000880133736 662952244 /nfs/dbraw/zinc/95/22/44/662952244.db2.gz JREKYOGJOLVXAV-KGLIPLIRSA-N 1 0 388.256 2.834 20 0 GFADRO NC(=O)C1([NH+]2CCCCC2)CCN(Cc2ccccc2Br)CC1 ZINC000880252139 662956629 /nfs/dbraw/zinc/95/66/29/662956629.db2.gz YFJZBDKETNVADW-UHFFFAOYSA-N 1 0 380.330 2.755 20 0 GFADRO O=C(C[N@@H+]1CCCSC[C@@H]1c1ccccc1)NC(=O)NCC(F)(F)F ZINC000880386687 662959068 /nfs/dbraw/zinc/95/90/68/662959068.db2.gz JSGUUADQDCQFQM-CYBMUJFWSA-N 1 0 375.416 2.555 20 0 GFADRO [NH3+][C@H](c1cn(C[C@H]2CC3(CCC3)C(=O)O2)nn1)c1ccc(Br)cc1 ZINC000881371742 662991828 /nfs/dbraw/zinc/99/18/28/662991828.db2.gz VXRICBQYOKMRRH-HIFRSBDPSA-N 1 0 391.269 2.575 20 0 GFADRO C[C@@](O)(Cn1cc(C[C@H]2CC[NH2+]C2)nn1)c1ccc(Br)cc1Cl ZINC000881422706 662993440 /nfs/dbraw/zinc/99/34/40/662993440.db2.gz FNSHIOHYQTYNPC-BDJLRTHQSA-N 1 0 399.720 2.754 20 0 GFADRO C[C@@](O)(Cn1cc(C[C@H]2CCC[NH2+]C2)nn1)c1ccc(Br)cc1F ZINC000881424669 662993889 /nfs/dbraw/zinc/99/38/89/662993889.db2.gz PEMNGFIKWKGGIS-SJKOYZFVSA-N 1 0 397.292 2.630 20 0 GFADRO COc1ccc(Br)c(C(=O)N2CCC[C@H]([NH2+]C3CCOCC3)C2)c1 ZINC000881468931 662995196 /nfs/dbraw/zinc/99/51/96/662995196.db2.gz ISFWFSFMWQAHAD-AWEZNQCLSA-N 1 0 397.313 2.831 20 0 GFADRO COc1cc(C(=O)N2CCC[C@@H]([NH2+]C3CCOCC3)C2)ccc1Br ZINC000881479062 662995504 /nfs/dbraw/zinc/99/55/04/662995504.db2.gz PALKOVIVVVOGJP-OAHLLOKOSA-N 1 0 397.313 2.831 20 0 GFADRO C[C@H](C(=O)N1CCC(C(N)=O)([NH+]2CCCCC2)CC1)c1ccc(Cl)s1 ZINC000881623632 662998380 /nfs/dbraw/zinc/99/83/80/662998380.db2.gz NCKHZEBFPKZGCO-ZDUSSCGKSA-N 1 0 383.945 2.837 20 0 GFADRO C[C@H]1CN(C(=O)c2ccc(Br)c(O)c2)CCN1c1cc[nH+]cc1 ZINC000881632980 662998534 /nfs/dbraw/zinc/99/85/34/662998534.db2.gz RODZNZYIVLIYKW-LBPRGKRZSA-N 1 0 376.254 2.901 20 0 GFADRO CN(c1ccc(OCC[NH+](C)C)cc1)S(=O)(=O)CC[C@@H]1CC1(Cl)Cl ZINC000881878632 663007629 /nfs/dbraw/zinc/00/76/29/663007629.db2.gz JMZCGOWDVHLHLM-CYBMUJFWSA-N 1 0 395.352 2.977 20 0 GFADRO C[C@@]1(Br)C[C@@H]1C(=O)NCCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000882384837 663026416 /nfs/dbraw/zinc/02/64/16/663026416.db2.gz VUSMLMJPCGZAQD-SJLPKXTDSA-N 1 0 395.341 2.693 20 0 GFADRO O=C(CSc1nncs1)Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000882391617 663026615 /nfs/dbraw/zinc/02/66/15/663026615.db2.gz CLMQWKQAYMQZDG-HNNXBMFYSA-N 1 0 375.523 2.553 20 0 GFADRO C[NH+](C)CCN(Cc1ccsc1)c1ccc2nnc(Br)n2n1 ZINC000882444061 663027904 /nfs/dbraw/zinc/02/79/04/663027904.db2.gz HSEYEJVOZDGXOS-UHFFFAOYSA-N 1 0 381.303 2.517 20 0 GFADRO CC(C)[NH+]1CCC(CCNS(=O)(=O)N=[S@](C)(=O)C2CCCCC2)CC1 ZINC000882477781 663028675 /nfs/dbraw/zinc/02/86/75/663028675.db2.gz LNLUPFAFERFZKC-XMMPIXPASA-N 1 0 393.619 2.762 20 0 GFADRO CC1([NH+]2CCC2)CCN(S(=O)(=O)c2ccc(OC(F)F)c(F)c2)CC1 ZINC000882768303 663041062 /nfs/dbraw/zinc/04/10/62/663041062.db2.gz YHBUJDRYMYYWRY-UHFFFAOYSA-N 1 0 378.416 2.676 20 0 GFADRO CCC(C)(C)[NH2+][C@@H](C)C(=O)Nc1cc(Br)cc2c1NC(=O)CO2 ZINC000883026967 663047119 /nfs/dbraw/zinc/04/71/19/663047119.db2.gz KYXDFQXSFDFHFK-VIFPVBQESA-N 1 0 384.274 2.885 20 0 GFADRO COC[C@H]([NH2+]C[C@H](CO)Cc1cccc(Br)c1)[C@H]1CCCOC1 ZINC000883219073 663051569 /nfs/dbraw/zinc/05/15/69/663051569.db2.gz LQNXCBZWFMZRLF-RYRKJORJSA-N 1 0 386.330 2.631 20 0 GFADRO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+][C@H](COC)[C@H]2CCCOC2)c1 ZINC000883227941 663051723 /nfs/dbraw/zinc/05/17/23/663051723.db2.gz BEVWVNXBRLXPHI-WMLDXEAASA-N 1 0 375.918 2.665 20 0 GFADRO COc1nsc(C[NH2+]C[C@H]2CCC3(CCOCC3)CO2)c1Br ZINC000883253426 663052024 /nfs/dbraw/zinc/05/20/24/663052024.db2.gz RNNKRQMSWHZVIO-LLVKDONJSA-N 1 0 391.331 2.980 20 0 GFADRO O=S1(=O)CCC[C@H]1CC[NH2+]Cc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000883300317 663053007 /nfs/dbraw/zinc/05/30/07/663053007.db2.gz UGNNUEPDEQKOKF-AWEZNQCLSA-N 1 0 398.326 2.896 20 0 GFADRO C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]CC[C@H]1CCCS1(=O)=O ZINC000883306487 663053301 /nfs/dbraw/zinc/05/33/01/663053301.db2.gz WZMJHJIJFJVKAA-RHSMWYFYSA-N 1 0 386.945 2.634 20 0 GFADRO O=C1Nc2ccc(Br)cc2CC[C@@H]1NC1CC[NH+](C2CC2)CC1 ZINC000883378070 663054320 /nfs/dbraw/zinc/05/43/20/663054320.db2.gz YPPUYXZMASLNKZ-KRWDZBQOSA-N 1 0 378.314 2.919 20 0 GFADRO Cc1cc(Br)c(Cl)cc1S(=O)(=O)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000883466603 663055535 /nfs/dbraw/zinc/05/55/35/663055535.db2.gz RBWIMRRBHRDYDG-BXKDBHETSA-N 1 0 381.723 2.769 20 0 GFADRO [NH3+]Cc1nc2c(s1)CCN(S(=O)(=O)c1ccc(F)c(C(F)(F)F)c1)C2 ZINC000883481732 663056104 /nfs/dbraw/zinc/05/61/04/663056104.db2.gz YZFCILBHNREWGV-UHFFFAOYSA-N 1 0 395.403 2.507 20 0 GFADRO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)c2sc3cccc(F)c3c2Cl)C1 ZINC000884020040 663063976 /nfs/dbraw/zinc/06/39/76/663063976.db2.gz LNAUNHTWFSHJFJ-SNVBAGLBSA-N 1 0 383.876 2.621 20 0 GFADRO C[C@H]1CN(C(=O)c2cc(Br)nn2-c2ncccc2Cl)C[C@H](C)[NH2+]1 ZINC000884030368 663063994 /nfs/dbraw/zinc/06/39/94/663063994.db2.gz MZKQWGZDBPGKJF-UWVGGRQHSA-N 1 0 398.692 2.506 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)C(C)(C)[C@H]([NH3+])C(C)C ZINC000884055669 663064384 /nfs/dbraw/zinc/06/43/84/663064384.db2.gz VTOCZSROKJVZFR-OAHLLOKOSA-N 1 0 384.318 2.822 20 0 GFADRO CC(C)(C)CC(=O)N1CCN(C(=O)[C@@H]([NH3+])c2ccc(Br)cc2)CC1 ZINC000884075260 663064541 /nfs/dbraw/zinc/06/45/41/663064541.db2.gz RUUZIAVSSGQXKV-INIZCTEOSA-N 1 0 396.329 2.556 20 0 GFADRO COCCOc1cccc(CNC(=O)[C@@H]([NH3+])c2ccc(Br)cc2)c1 ZINC000884082194 663064685 /nfs/dbraw/zinc/06/46/85/663064685.db2.gz XXXALULNKSQWRE-KRWDZBQOSA-N 1 0 393.281 2.791 20 0 GFADRO Cc1noc(C2CCN(C(=O)[C@H]([NH3+])c3ccc(Br)cc3)CC2)n1 ZINC000884100421 663065119 /nfs/dbraw/zinc/06/51/19/663065119.db2.gz UMXOJDGPSONXHC-CQSZACIVSA-N 1 0 379.258 2.547 20 0 GFADRO CCOC(=O)C1CCC(NC(=O)[C@H]([NH3+])c2ccc(Br)cc2)CC1 ZINC000884096365 663065132 /nfs/dbraw/zinc/06/51/32/663065132.db2.gz SLEGQNJCYWRZSD-PESDSKBTSA-N 1 0 383.286 2.687 20 0 GFADRO [NH3+][C@@H](C(=O)NCCN1CCc2sccc2C1)c1ccc(Br)cc1 ZINC000884200348 663066897 /nfs/dbraw/zinc/06/68/97/663066897.db2.gz ZQRLFNJBJVZDGY-MRXNPFEDSA-N 1 0 394.338 2.685 20 0 GFADRO O=C(COCCc1ccc(Br)cc1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000884280671 663068012 /nfs/dbraw/zinc/06/80/12/663068012.db2.gz QQZCZSAQKLQAKL-SFHVURJKSA-N 1 0 381.314 2.610 20 0 GFADRO CC1(C)[C@@H]([NH3+])C[C@@H]1NC(=O)c1nn(-c2ccc(F)cc2)cc1Br ZINC000884356064 663069598 /nfs/dbraw/zinc/06/95/98/663069598.db2.gz XQYRVLVFJJYGHC-STQMWFEESA-N 1 0 381.249 2.630 20 0 GFADRO O=C1C(=O)N(c2ccc(Br)cc2)C(=O)N1C[NH+]1CCCCCCC1 ZINC000884389377 663069959 /nfs/dbraw/zinc/06/99/59/663069959.db2.gz WLJZEOZUGQZHBV-UHFFFAOYSA-N 1 0 394.269 2.968 20 0 GFADRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)c1cc(Br)nn1-c1ncccc1Cl ZINC000884434130 663070761 /nfs/dbraw/zinc/07/07/61/663070761.db2.gz ATGRGTDQQTYKDO-WDEREUQCSA-N 1 0 398.692 2.554 20 0 GFADRO O=S(=O)(CCc1ccccc1Br)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000884956612 663079530 /nfs/dbraw/zinc/07/95/30/663079530.db2.gz CBNCCSHAJRYIMD-HUUCEWRRSA-N 1 0 387.343 2.538 20 0 GFADRO O=S(=O)(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1cnc(Cl)cc1C(F)(F)F ZINC000884959634 663079872 /nfs/dbraw/zinc/07/98/72/663079872.db2.gz MXHDDRYJWVNNAY-UWVGGRQHSA-N 1 0 383.823 2.659 20 0 GFADRO C[C@H]1C[C@@H](C(=O)N2CCC[C@](O)(c3ccc(Br)cc3)C2)CC[N@@H+]1C ZINC000884969337 663081038 /nfs/dbraw/zinc/08/10/38/663081038.db2.gz XCEILTHRHWEOQN-YZVOILCLSA-N 1 0 395.341 2.989 20 0 GFADRO CC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)Cc2ccc(Br)cc2C)C1 ZINC000885037470 663083500 /nfs/dbraw/zinc/08/35/00/663083500.db2.gz RNKMJCPNARLABX-AWEZNQCLSA-N 1 0 389.359 2.861 20 0 GFADRO CC(C)([NH3+])CCNC(=O)C(=O)N1CCc2sccc2[C@H]1c1cccs1 ZINC000885204446 663086119 /nfs/dbraw/zinc/08/61/19/663086119.db2.gz MPGOYFYBYYNFRM-HNNXBMFYSA-N 1 0 377.535 2.527 20 0 GFADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1cc(Cl)c(OC)cc1OC ZINC000885459082 663091044 /nfs/dbraw/zinc/09/10/44/663091044.db2.gz ASESULCHOXROHM-OLZOCXBDSA-N 1 0 388.917 2.605 20 0 GFADRO Cc1cc(Br)ccc1CC(=O)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000885880677 663100251 /nfs/dbraw/zinc/10/02/51/663100251.db2.gz WKPYGXLFGGRCEG-QGZVFWFLSA-N 1 0 381.314 2.670 20 0 GFADRO Cc1cc(Br)c(F)c(C(=O)NC[C@H]2CC[N@@H+]2C2CCOCC2)c1 ZINC000885893031 663100720 /nfs/dbraw/zinc/10/07/20/663100720.db2.gz ITIFMBQYRDQKCN-CYBMUJFWSA-N 1 0 385.277 2.880 20 0 GFADRO O=S(=O)(c1ccc(Cl)s1)N1CCC[N@H+](C[C@@H]2C[C@]23CCOC3)CC1 ZINC000885975857 663102167 /nfs/dbraw/zinc/10/21/67/663102167.db2.gz YCQXJICWVCJEMX-BBRMVZONSA-N 1 0 390.958 2.525 20 0 GFADRO C[C@H]([NH2+]Cc1cc(Br)c(Br)s1)C(=O)NCCF ZINC000886106898 663103409 /nfs/dbraw/zinc/10/34/09/663103409.db2.gz GFXPWSSUJYJZMP-LURJTMIESA-N 1 0 388.100 2.837 20 0 GFADRO CC(=O)N1CC[C@@H]([NH2+]Cc2cc(Br)c(Br)s2)C1 ZINC000886166374 663104011 /nfs/dbraw/zinc/10/40/11/663104011.db2.gz GUBGJMKVXVRIJD-MRVPVSSYSA-N 1 0 382.121 2.984 20 0 GFADRO CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]C[C@H](O)Cc1ccccc1F ZINC000886233920 663105504 /nfs/dbraw/zinc/10/55/04/663105504.db2.gz BGPDZSMURSOTOL-OAHLLOKOSA-N 1 0 385.888 2.966 20 0 GFADRO COC(=O)c1cncc([C@H](C)[NH2+]CCCCn2cc(Br)cn2)c1 ZINC000886602835 663114556 /nfs/dbraw/zinc/11/45/56/663114556.db2.gz AENAXIMXBFUIHT-LBPRGKRZSA-N 1 0 381.274 2.958 20 0 GFADRO Cc1csc(C[C@H]2CCC[N@H+](CCc3ccc(S(N)(=O)=O)cc3)C2)n1 ZINC000886691985 663115626 /nfs/dbraw/zinc/11/56/26/663115626.db2.gz QEIROVHWQWZJSM-MRXNPFEDSA-N 1 0 379.551 2.596 20 0 GFADRO Cc1cc(Br)ccc1CS(=O)(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000886884175 663123324 /nfs/dbraw/zinc/12/33/24/663123324.db2.gz XLWCQVLUQWKXCV-XYPWUTKMSA-N 1 0 387.343 2.802 20 0 GFADRO Cc1cc(Br)cc(C)c1S(=O)(=O)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000886896494 663123982 /nfs/dbraw/zinc/12/39/82/663123982.db2.gz LORWXOZPQWUXHN-NSHDSACASA-N 1 0 397.285 2.589 20 0 GFADRO COC[C@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1Br)[C@@H]1CCCOC1 ZINC000886906244 663124503 /nfs/dbraw/zinc/12/45/03/663124503.db2.gz UAMOAWJTTYGGBX-ZENOOKHLSA-N 1 0 385.302 2.807 20 0 GFADRO O=C(NCCC[NH2+]C1CC1)C(=O)Nc1cc(Br)c2ccccc2c1 ZINC000886983788 663127374 /nfs/dbraw/zinc/12/73/74/663127374.db2.gz IILCYSXGNWEYEI-UHFFFAOYSA-N 1 0 390.281 2.799 20 0 GFADRO [NH3+]CCCCn1cc(-c2csc(-c3cncc(Br)c3)n2)nn1 ZINC000887532706 663151376 /nfs/dbraw/zinc/15/13/76/663151376.db2.gz PWBDUFILELNANO-UHFFFAOYSA-N 1 0 379.287 2.965 20 0 GFADRO CC[NH+]1CCN(c2ccc(NC(=O)c3cn(C)nc3Br)cc2)CC1 ZINC000887724983 663159333 /nfs/dbraw/zinc/15/93/33/663159333.db2.gz XZOLQLOWWSKZEH-UHFFFAOYSA-N 1 0 392.301 2.577 20 0 GFADRO O=C(Nc1nc2ccc(Cl)nc2s1)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000888795333 663217161 /nfs/dbraw/zinc/21/71/61/663217161.db2.gz GFFPGFJDYDXALS-NSHDSACASA-N 1 0 381.889 2.720 20 0 GFADRO C[NH+]1CCC2(CCN2C(=O)c2c(F)cccc2I)CC1 ZINC000889224442 663237836 /nfs/dbraw/zinc/23/78/36/663237836.db2.gz JPFJMJPTWWVOOD-UHFFFAOYSA-N 1 0 388.224 2.741 20 0 GFADRO CCc1cc(C(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)ccc1Br ZINC000889741130 663262045 /nfs/dbraw/zinc/26/20/45/663262045.db2.gz AZSKGMWKZRJRIS-SJORKVTESA-N 1 0 381.314 2.683 20 0 GFADRO Cc1sc(Br)c(C(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)c1C ZINC000889756566 663263759 /nfs/dbraw/zinc/26/37/59/663263759.db2.gz OMAPAWPRZVITSA-QWHCGFSZSA-N 1 0 387.343 2.799 20 0 GFADRO O=C(N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO)C1(c2ccccc2Br)CC1 ZINC000889755662 663263773 /nfs/dbraw/zinc/26/37/73/663263773.db2.gz IDZLTHDQOIJQNC-IRXDYDNUSA-N 1 0 393.325 2.538 20 0 GFADRO O=C(c1ccc(Cl)cc1Br)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000889763181 663264794 /nfs/dbraw/zinc/26/47/94/663264794.db2.gz MVDLOIJPRSJOFA-HUUCEWRRSA-N 1 0 387.705 2.774 20 0 GFADRO Cc1cc(CCC(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)ccc1Br ZINC000889770003 663265373 /nfs/dbraw/zinc/26/53/73/663265373.db2.gz XRICKSNHMINZIJ-QZTJIDSGSA-N 1 0 395.341 2.748 20 0 GFADRO O=C(c1ccc(Br)cc1Cl)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000889773842 663265709 /nfs/dbraw/zinc/26/57/09/663265709.db2.gz LBGAIWBOISRELY-GJZGRUSLSA-N 1 0 387.705 2.774 20 0 GFADRO O=C(NCc1cscc1Cl)NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000890343300 663296493 /nfs/dbraw/zinc/29/64/93/663296493.db2.gz ULJWEJKCLTXXTH-MRXNPFEDSA-N 1 0 379.913 2.968 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)NCc2cc(Br)cs2)C[C@@H]1C(F)(F)F ZINC000891368577 663337475 /nfs/dbraw/zinc/33/74/75/663337475.db2.gz FGHPBWFWFYKLOF-XCBNKYQSSA-N 1 0 386.237 2.789 20 0 GFADRO O=C(NCCc1ccc(F)c(Br)c1)NC[C@H]1C[NH2+]CCC1(F)F ZINC000891397524 663338274 /nfs/dbraw/zinc/33/82/74/663338274.db2.gz WCEPBWIFXHAATE-LLVKDONJSA-N 1 0 394.235 2.675 20 0 GFADRO C[NH+](C)[C@H](CNc1nc(N)nc(C(F)(F)C(F)(F)F)n1)c1cccs1 ZINC000891489933 663341073 /nfs/dbraw/zinc/34/10/73/663341073.db2.gz OYJGESGXEBNPHV-SSDOTTSWSA-N 1 0 382.362 2.884 20 0 GFADRO CCN(C(=O)NCCOc1ncc(C(F)(F)F)cc1Cl)[C@@H]1CC[NH2+]C1 ZINC000891597134 663345010 /nfs/dbraw/zinc/34/50/10/663345010.db2.gz KJBLYBAWOZATAB-LLVKDONJSA-N 1 0 380.798 2.526 20 0 GFADRO COc1ccc([C@H](C)NC(=O)N2CC[C@H]3C[N@H+](C)C[C@@H]32)cc1Br ZINC000891640062 663346301 /nfs/dbraw/zinc/34/63/01/663346301.db2.gz YRADPSKGBOKZRV-WHOFXGATSA-N 1 0 382.302 2.864 20 0 GFADRO CCC1([NH3+])CCN(C(=O)NCc2cn3cc(Br)cc(C)c3n2)CC1 ZINC000891788189 663350595 /nfs/dbraw/zinc/35/05/95/663350595.db2.gz AFQFVJWTBCHZIX-UHFFFAOYSA-N 1 0 394.317 2.818 20 0 GFADRO O=C(N[C@@H]1COc2cc(F)c(Br)cc21)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000891887136 663354283 /nfs/dbraw/zinc/35/42/83/663354283.db2.gz DZTXHTHNUOOFSF-MJBXVCDLSA-N 1 0 384.249 2.558 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)N(C)C[C@@H](O)COc2cc(Cl)cc(Cl)c2)CC[NH2+]1 ZINC000892094757 663361430 /nfs/dbraw/zinc/36/14/30/663361430.db2.gz CDQNYGSMMZTLLE-BYCMXARLSA-N 1 0 390.311 2.515 20 0 GFADRO COc1cccc(OCCN2CC[NH+](C[C@H]3C[C@]3(C)Br)CC2)c1 ZINC000892136823 663362968 /nfs/dbraw/zinc/36/29/68/663362968.db2.gz OACVHCYJBBLFBH-QAPCUYQASA-N 1 0 383.330 2.865 20 0 GFADRO COC[C@H](NC(=O)NCCC[C@@H]1CCC[NH2+]1)c1cccc(Br)c1 ZINC000892158323 663364100 /nfs/dbraw/zinc/36/41/00/663364100.db2.gz HAELCWNWSGMONJ-HOTGVXAUSA-N 1 0 384.318 2.968 20 0 GFADRO [NH3+]C[C@@H]1CC[C@H](NC(=O)NCc2ccn(-c3ccc(Br)cc3)n2)C1 ZINC000892175650 663364555 /nfs/dbraw/zinc/36/45/55/663364555.db2.gz MSTOPWIKHSFMFJ-OCCSQVGLSA-N 1 0 392.301 2.561 20 0 GFADRO [NH3+][C@@H](CCNC(=O)NCc1ncc(Br)s1)Cc1ccccc1 ZINC000892415066 663372666 /nfs/dbraw/zinc/37/26/66/663372666.db2.gz YYHNOFXFUYKUPR-LBPRGKRZSA-N 1 0 383.315 2.665 20 0 GFADRO CC[N@H+](C)Cc1cccc(CNC(=O)NCc2ncc(Br)cn2)c1 ZINC000892490741 663375385 /nfs/dbraw/zinc/37/53/85/663375385.db2.gz YTYMDLZTXWNVOD-UHFFFAOYSA-N 1 0 392.301 2.690 20 0 GFADRO COC[C@H](NC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cccc(Br)c1 ZINC000892584908 663377965 /nfs/dbraw/zinc/37/79/65/663377965.db2.gz QTJUTCGCDZRQTF-IEAZIUSSSA-N 1 0 396.329 2.966 20 0 GFADRO CC(=O)Nc1cc(Br)ccc1C[NH2+]CCC(=O)N1CCCCC1 ZINC000892611854 663378490 /nfs/dbraw/zinc/37/84/90/663378490.db2.gz BOVIGIQJSKACSJ-UHFFFAOYSA-N 1 0 382.302 2.900 20 0 GFADRO CCOC(=O)c1ncc(Br)c(N2CCC[C@H]([NH+]3CCCC3)CC2)n1 ZINC000892618800 663378931 /nfs/dbraw/zinc/37/89/31/663378931.db2.gz NHSOJDVXBSLVSM-ZDUSSCGKSA-N 1 0 397.317 2.871 20 0 GFADRO Cc1ccc(CNC(=O)N2CCc3sc(C[NH3+])nc3C2)cc1Br ZINC000892695272 663381815 /nfs/dbraw/zinc/38/18/15/663381815.db2.gz QKTSACRQMWLCRX-UHFFFAOYSA-N 1 0 395.326 2.941 20 0 GFADRO Cn1ncc(Br)c1CC(=O)OC[C@H]1CCC[N@@H+]1Cc1ccco1 ZINC000892877588 663387933 /nfs/dbraw/zinc/38/79/33/663387933.db2.gz UENHHVBMSVWVKJ-GFCCVEGCSA-N 1 0 382.258 2.526 20 0 GFADRO CCC1([NH3+])CCN(C(=O)N(CCO)Cc2ccc(Br)s2)CC1 ZINC000892932487 663390247 /nfs/dbraw/zinc/39/02/47/663390247.db2.gz IFVVSYYKJBRGHH-UHFFFAOYSA-N 1 0 390.347 2.628 20 0 GFADRO [NH3+]CCCOC1CCN(C(=O)NCCc2sccc2Br)CC1 ZINC000892938610 663390434 /nfs/dbraw/zinc/39/04/34/663390434.db2.gz BJTJSIWGFFZCRU-UHFFFAOYSA-N 1 0 390.347 2.593 20 0 GFADRO C[C@H]1CCC[C@@H](CC[NH+](C)C)N1C(=O)Cc1cc[nH]c(=O)c1Br ZINC000893015410 663393072 /nfs/dbraw/zinc/39/30/72/663393072.db2.gz RHQRGRKVKHMOAR-JSGCOSHPSA-N 1 0 384.318 2.814 20 0 GFADRO CC(C)(C[NH2+]C[C@H]1CCN(S(C)(=O)=O)C1)c1ccc(Br)cc1 ZINC000893223601 663402527 /nfs/dbraw/zinc/40/25/27/663402527.db2.gz JKTZUPLPSNTARO-CYBMUJFWSA-N 1 0 389.359 2.598 20 0 GFADRO CO[C@@H]1C[N@H+](C)[C@](C)(COC(=O)Cc2sc(CC(F)(F)F)nc2C)C1 ZINC000893263301 663404505 /nfs/dbraw/zinc/40/45/05/663404505.db2.gz SDGLDMZQCGFPIF-NHYWBVRUSA-N 1 0 380.432 2.751 20 0 GFADRO CS(=O)(=O)N1CC(C[NH2+][C@@H]2CCCC[C@@H]2c2cc(F)c(F)c(F)c2)C1 ZINC000893717468 663422388 /nfs/dbraw/zinc/42/23/88/663422388.db2.gz RCDUDNYKCFQNRI-CZUORRHYSA-N 1 0 376.444 2.611 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCN(c2ccc(Cl)cc2Cl)C1)[C@H]1CCS(=O)(=O)C1 ZINC000893963755 663433783 /nfs/dbraw/zinc/43/37/83/663433783.db2.gz GYTNBXPKCKRLFF-SGMGOOAPSA-N 1 0 377.337 2.985 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCN(c2ccc(Cl)cc2Cl)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000893963753 663433932 /nfs/dbraw/zinc/43/39/32/663433932.db2.gz GYTNBXPKCKRLFF-OUCADQQQSA-N 1 0 377.337 2.985 20 0 GFADRO Cn1nccc1[C@H]1CCC[N@H+](Cc2sc(N3CCOCC3)nc2Cl)C1 ZINC000893969176 663434527 /nfs/dbraw/zinc/43/45/27/663434527.db2.gz PUBBGDMOHDTZTP-ZDUSSCGKSA-N 1 0 381.933 2.746 20 0 GFADRO CC(=O)Nc1cc(Br)ccc1C[N@@H+](C)[C@@H](C)CN1CCOCC1 ZINC000894111504 663442983 /nfs/dbraw/zinc/44/29/83/663442983.db2.gz HJEHDDNMGCKHJF-ZDUSSCGKSA-N 1 0 384.318 2.560 20 0 GFADRO Cn1cc(C[NH2+]CCc2c[nH]c3cc(F)ccc23)c(I)n1 ZINC000894210703 663448745 /nfs/dbraw/zinc/44/87/45/663448745.db2.gz FXCFAFSGWLTFJX-UHFFFAOYSA-N 1 0 398.223 2.977 20 0 GFADRO Cn1nc(Br)nc1CNC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000894208584 663448852 /nfs/dbraw/zinc/44/88/52/663448852.db2.gz JOVOHACQLABBPE-HNNXBMFYSA-N 1 0 378.318 2.722 20 0 GFADRO CCn1c(Br)c(Br)nc1CN(C)CCC[NH+](C)C ZINC000894448680 663462126 /nfs/dbraw/zinc/46/21/26/663462126.db2.gz DYUFUCIGKGTIQW-UHFFFAOYSA-N 1 0 382.144 2.812 20 0 GFADRO OCc1cn(CCC[NH2+]Cc2c(Br)ccc(Cl)c2F)nn1 ZINC000894535802 663467626 /nfs/dbraw/zinc/46/76/26/663467626.db2.gz NSWFIRPZSJNWNM-UHFFFAOYSA-N 1 0 377.645 2.505 20 0 GFADRO FC(F)C(F)(F)COCC[NH2+]Cc1sc(N2CCOCC2)nc1Cl ZINC000894570518 663469554 /nfs/dbraw/zinc/46/95/54/663469554.db2.gz YNDPSMILYAHVRF-UHFFFAOYSA-N 1 0 391.818 2.640 20 0 GFADRO Cn1nc(Br)nc1C[NH2+]CCc1cccc(OCC(F)(F)F)c1 ZINC000894635656 663473557 /nfs/dbraw/zinc/47/35/57/663473557.db2.gz LJCVVEPPKSZVLT-UHFFFAOYSA-N 1 0 393.207 2.851 20 0 GFADRO C[NH+](C)CCN(Cc1ccco1)Cc1sc(N2CCOCC2)nc1Cl ZINC000894771413 663480632 /nfs/dbraw/zinc/48/06/32/663480632.db2.gz IFRWHYJDOSNCOY-UHFFFAOYSA-N 1 0 384.933 2.790 20 0 GFADRO CC(C)(C)OC(=O)NC[C@@H]1C[N@H+](C[C@H]2C[C@@]2(C)Br)CCCO1 ZINC000894815944 663482710 /nfs/dbraw/zinc/48/27/10/663482710.db2.gz BNSUASJKPKLMHS-XJKCOSOUSA-N 1 0 377.323 2.776 20 0 GFADRO COc1cccc([C@@H]2C[C@H]2C[NH2+]Cc2c(I)cnn2C)c1 ZINC000895010720 663495198 /nfs/dbraw/zinc/49/51/98/663495198.db2.gz AXPZMJKCWLSGFW-JSGCOSHPSA-N 1 0 397.260 2.927 20 0 GFADRO O=S1(=O)C[C@@H](C[NH2+]Cc2cnc(CC(F)(F)F)s2)Oc2ccccc21 ZINC000895089793 663499259 /nfs/dbraw/zinc/49/92/59/663499259.db2.gz DDRSKCKPECMSSJ-SNVBAGLBSA-N 1 0 392.424 2.572 20 0 GFADRO C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)c1ccc(Br)s1 ZINC000895265957 663505867 /nfs/dbraw/zinc/50/58/67/663505867.db2.gz XYNDWDQLUKRJRO-NSHDSACASA-N 1 0 394.294 2.826 20 0 GFADRO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](Nc3nc(Cl)c(C(=O)OC)s3)C2)[C@H]1C(C)C ZINC000895284045 663506714 /nfs/dbraw/zinc/50/67/14/663506714.db2.gz NHDWWYDBVCOPLU-BIMLSOSBSA-N 1 0 387.933 2.865 20 0 GFADRO CC(C)(C)OC(=O)N1CCC[C@@](C)(C[NH2+]CC[S@](=O)CC(F)(F)F)C1 ZINC000895314143 663507573 /nfs/dbraw/zinc/50/75/73/663507573.db2.gz QWACEYVLYKSYGI-MQNRADLISA-N 1 0 386.480 2.924 20 0 GFADRO CC(C)(C)OC(=O)N1CC2(C1)C[C@H]([NH2+]C[C@H]1C[C@@]1(C)Br)CO2 ZINC000895356352 663509763 /nfs/dbraw/zinc/50/97/63/663509763.db2.gz VUXJLXZPUACCDC-TYNCELHUSA-N 1 0 375.307 2.528 20 0 GFADRO CC(=O)Nc1cc(Br)ccc1CN1CCO[C@H](CCC[NH+](C)C)C1 ZINC000895472236 663516193 /nfs/dbraw/zinc/51/61/93/663516193.db2.gz GARPJJJGVBUTMZ-QGZVFWFLSA-N 1 0 398.345 2.950 20 0 GFADRO Cc1csc([C@H]2CCN(Cc3c(I)cnn3C)C2)n1 ZINC000895473658 663516292 /nfs/dbraw/zinc/51/62/92/663516292.db2.gz QYSUSVFCHCCLKX-JTQLQIEISA-N 1 0 388.278 2.779 20 0 GFADRO COc1cc2[nH+]ccc(NCC[C@H]3CC(=O)N(C)C3)c2cc1Br ZINC000895478160 663516439 /nfs/dbraw/zinc/51/64/39/663516439.db2.gz JYAQPDCZPJCRKM-NSHDSACASA-N 1 0 378.270 2.708 20 0 GFADRO CC(C)(C)OC(=O)NC1(C[NH2+]C[C@@H]2C[C@@]2(C)Br)CCOCC1 ZINC000895591247 663520097 /nfs/dbraw/zinc/52/00/97/663520097.db2.gz OTUFNXDBCGISNN-SWLSCSKDSA-N 1 0 377.323 2.823 20 0 GFADRO COC(=O)[C@@]1(O)CC[N@H+](Cc2cnc(-c3ccc(Br)cc3)s2)C1 ZINC000895704826 663524053 /nfs/dbraw/zinc/52/40/53/663524053.db2.gz YXCRQNXZCUTTQA-MRXNPFEDSA-N 1 0 397.294 2.682 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[N@@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000895779953 663527209 /nfs/dbraw/zinc/52/72/09/663527209.db2.gz WWVDQTSNJFTRKD-FPMFFAJLSA-N 1 0 399.354 2.757 20 0 GFADRO O=C1NCC2(CCOCC2)[C@@H]1[NH2+]CC1=Cc2cc(Cl)cc(Cl)c2OC1 ZINC000895772717 663527280 /nfs/dbraw/zinc/52/72/80/663527280.db2.gz JPHGNFGLDPRSOY-MRXNPFEDSA-N 1 0 383.275 2.654 20 0 GFADRO O=C(Nc1nnc(SCc2cccs2)s1)C1C[NH+](C2CCOCC2)C1 ZINC000895830719 663529289 /nfs/dbraw/zinc/52/92/89/663529289.db2.gz ZHBYWQRRSQASPP-UHFFFAOYSA-N 1 0 396.563 2.941 20 0 GFADRO C[NH+](C)CC[C@@H](Nc1nnc2ccc(Br)cn21)c1cccnc1 ZINC000895890058 663532329 /nfs/dbraw/zinc/53/23/29/663532329.db2.gz BWFYEFBJCZUWPW-CQSZACIVSA-N 1 0 375.274 2.992 20 0 GFADRO O=C(CCCc1ccc(Br)cc1)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000895989846 663536325 /nfs/dbraw/zinc/53/63/25/663536325.db2.gz DSUUQHLAXCVXGA-IAGOWNOFSA-N 1 0 381.314 2.751 20 0 GFADRO O=C(CCCc1ccc(Br)cc1)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000895989852 663536344 /nfs/dbraw/zinc/53/63/44/663536344.db2.gz DSUUQHLAXCVXGA-SJORKVTESA-N 1 0 381.314 2.751 20 0 GFADRO CCN(CCC(=O)NC)C(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000896011344 663537331 /nfs/dbraw/zinc/53/73/31/663537331.db2.gz MWFUAAWBMYDULK-HNNXBMFYSA-N 1 0 389.327 2.764 20 0 GFADRO FC(F)(F)[C@H]1CC[C@H](C[NH2+]Cc2sc(N3CCOCC3)nc2Cl)O1 ZINC000896280628 663548718 /nfs/dbraw/zinc/54/87/18/663548718.db2.gz PAXVKWVRGXACEM-MWLCHTKSSA-N 1 0 385.839 2.833 20 0 GFADRO CN1CCC[C@H]1c1cc(C(=O)NC[C@@H](O)c2cc(Cl)cc(Cl)c2)[nH]n1 ZINC000896441120 663557552 /nfs/dbraw/zinc/55/75/52/663557552.db2.gz QVQIVHANSXNMDS-JKSUJKDBSA-N 1 0 383.279 2.947 20 0 GFADRO C[C@H](NC(=O)c1cc(Br)ccc1C1CC1)[C@H]1C[N@H+](C)CCN1C ZINC000896531272 663561349 /nfs/dbraw/zinc/56/13/49/663561349.db2.gz ZAFRYCBIBDVBGY-YVEFUNNKSA-N 1 0 380.330 2.691 20 0 GFADRO Cc1c2cc(C(=O)N[C@H](C)[C@@H]3C[N@H+](C)CCN3C)[nH]c2ccc1Br ZINC000896532380 663561728 /nfs/dbraw/zinc/56/17/28/663561728.db2.gz KJUFADCMVHBSKA-PXAZEXFGSA-N 1 0 393.329 2.603 20 0 GFADRO C[C@@H](NC(=O)c1cc(Br)c2ccccc2c1)[C@@H]1C[N@H+](C)CCN1C ZINC000896540966 663562512 /nfs/dbraw/zinc/56/25/12/663562512.db2.gz ZGJASIREGGNQET-ACJLOTCBSA-N 1 0 390.325 2.966 20 0 GFADRO C[C@@H](NC(=O)CCCCc1ccc(Br)cc1)[C@H]1C[N@H+](C)CCN1C ZINC000896573482 663565565 /nfs/dbraw/zinc/56/55/65/663565565.db2.gz XOLPQSUKIOWEGC-CRAIPNDOSA-N 1 0 396.373 2.912 20 0 GFADRO C[C@H](NC(=O)CSc1cc(Cl)ccc1Cl)[C@H]1C[N@H+](C)CCN1C ZINC000896582168 663565914 /nfs/dbraw/zinc/56/59/14/663565914.db2.gz UXBWBESZTNJZBQ-SMDDNHRTSA-N 1 0 376.353 2.836 20 0 GFADRO C[C@@H](CNC(=O)CCCc1ccc(Br)cc1)C[NH+]1CCN(C)CC1 ZINC000896707529 663573028 /nfs/dbraw/zinc/57/30/28/663573028.db2.gz CDKNJACPWMYEPF-INIZCTEOSA-N 1 0 396.373 2.772 20 0 GFADRO CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)/C=C/C=C(Cl)Cl)CC1 ZINC000896878195 663580399 /nfs/dbraw/zinc/58/03/99/663580399.db2.gz VZTXGXBBGPVDOF-GQCTYLIASA-N 1 0 376.328 2.605 20 0 GFADRO COC(=O)/C=C/c1ccc(C[NH2+]CC2(n3cc(Br)cn3)CC2)o1 ZINC000896912087 663581536 /nfs/dbraw/zinc/58/15/36/663581536.db2.gz RCOHGFKFWWOTTJ-SNAWJCMRSA-N 1 0 380.242 2.704 20 0 GFADRO NS(=O)(=O)C[C@@H]1CC[N@H+](Cc2ccc(-c3nc4ccccc4s3)o2)C1 ZINC000897057505 663588753 /nfs/dbraw/zinc/58/87/53/663588753.db2.gz DOCUBJYZFBEPTP-GFCCVEGCSA-N 1 0 377.491 2.667 20 0 GFADRO COc1cc(OC)c(NC(=O)C2C[NH+](C3CCOCC3)C2)cc1Br ZINC000897444788 663606292 /nfs/dbraw/zinc/60/62/92/663606292.db2.gz RJRNIODCGADGPL-UHFFFAOYSA-N 1 0 399.285 2.516 20 0 GFADRO COCCOCCOc1ccc(NC2CC[NH+](C)CC2)cc1Br ZINC000897712015 663616971 /nfs/dbraw/zinc/61/69/71/663616971.db2.gz VLCGRMNKBMVERP-UHFFFAOYSA-N 1 0 387.318 2.997 20 0 GFADRO O=C(NC1(c2ccc(Br)cc2)CC1)C1C[NH+](C2CCOCC2)C1 ZINC000897722381 663617078 /nfs/dbraw/zinc/61/70/78/663617078.db2.gz YEWGOSZFPIDBMA-UHFFFAOYSA-N 1 0 379.298 2.665 20 0 GFADRO Cn1cc(C(=O)NC[C@@H](C[NH+](C)C)c2ccc(Cl)cc2)c(Br)n1 ZINC000897744615 663618121 /nfs/dbraw/zinc/61/81/21/663618121.db2.gz PQYWDQGCGSYHEX-LBPRGKRZSA-N 1 0 399.720 2.911 20 0 GFADRO CCOc1cc(C[NH2+][C@@]2(C)CCNC2=O)cc(Br)c1OC(F)F ZINC000897870869 663623169 /nfs/dbraw/zinc/62/31/69/663623169.db2.gz AZXWXUNUPDZPLZ-HNNXBMFYSA-N 1 0 393.228 2.817 20 0 GFADRO Cc1cc(NC(=O)c2cn(C)nc2Br)ccc1OCC[NH+](C)C ZINC000897961846 663626836 /nfs/dbraw/zinc/62/68/36/663626836.db2.gz FYCZIPWQHSNJLF-UHFFFAOYSA-N 1 0 381.274 2.684 20 0 GFADRO Cn1cc([C@]2(C[NH2+]Cc3ccccc3I)CCCO2)cn1 ZINC000898061909 663631849 /nfs/dbraw/zinc/63/18/49/663631849.db2.gz PVCVBWDGHOQVDT-MRXNPFEDSA-N 1 0 397.260 2.820 20 0 GFADRO O=C(CCc1ccccc1Br)N1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000898121391 663634588 /nfs/dbraw/zinc/63/45/88/663634588.db2.gz NQVVBMMCKCPKDP-UHFFFAOYSA-N 1 0 395.341 2.735 20 0 GFADRO COc1cc(C[NH2+][C@H]2CCN(c3cn[nH]c(=O)c3Cl)C2)c(Cl)cc1O ZINC000898372890 663645361 /nfs/dbraw/zinc/64/53/61/663645361.db2.gz ZRWRRPJZEHIAJK-JTQLQIEISA-N 1 0 385.251 2.572 20 0 GFADRO COC(=O)C1CC2(C1)C[C@H]([NH2+]Cc1cccc(Cl)c1C)CCS2(=O)=O ZINC000898481010 663652067 /nfs/dbraw/zinc/65/20/67/663652067.db2.gz FXDQXMAQRKAGBO-SWKXRBFHSA-N 1 0 385.913 2.637 20 0 GFADRO COC(=O)C1CC2(C1)C[C@H]([NH2+]Cc1ccc(C)cc1Cl)CCS2(=O)=O ZINC000898486687 663652313 /nfs/dbraw/zinc/65/23/13/663652313.db2.gz FIGVINAGTKLJAK-SWKXRBFHSA-N 1 0 385.913 2.637 20 0 GFADRO Cn1ccc(-c2nc(C[NH2+][C@H]3CCc4ncc(Br)n4C3)cs2)n1 ZINC000898717340 663659987 /nfs/dbraw/zinc/65/99/87/663659987.db2.gz NGYAFOGKTNHLHM-JTQLQIEISA-N 1 0 393.314 2.607 20 0 GFADRO Cn1cc(C[NH2+][C@H]2CCc3ncc(Br)n3C2)c(-c2cccnc2)n1 ZINC000898723965 663661077 /nfs/dbraw/zinc/66/10/77/663661077.db2.gz LBFZGCORNMDTMZ-AWEZNQCLSA-N 1 0 387.285 2.546 20 0 GFADRO Brc1cnc2n1C[C@@H]([NH2+]C1CCN(Cc3ccccn3)CC1)CC2 ZINC000898724263 663661297 /nfs/dbraw/zinc/66/12/97/663661297.db2.gz MZUWRDGOSOEMSX-INIZCTEOSA-N 1 0 390.329 2.610 20 0 GFADRO C[C@H](NC(=O)c1cc([C@H]2CCCN2C)n[nH]1)c1ccncc1Br ZINC000899195693 663679405 /nfs/dbraw/zinc/67/94/05/663679405.db2.gz ZPHQWGCTARDWRA-ZUZCIYMTSA-N 1 0 378.274 2.825 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CNC(=S)NC1(c2ncc(Br)cn2)CCC1 ZINC000899616595 663696154 /nfs/dbraw/zinc/69/61/54/663696154.db2.gz CVHVXUVATTUSIT-ZDUSSCGKSA-N 1 0 398.374 2.567 20 0 GFADRO [NH3+][C@@H](c1cn([C@@H]2CCOc3ccc(Br)cc32)nn1)[C@H]1CCCO1 ZINC000899739329 663699706 /nfs/dbraw/zinc/69/97/06/663699706.db2.gz JFQYIZFYZJBHKW-BMFZPTHFSA-N 1 0 379.258 2.591 20 0 GFADRO CCn1cc(C[N@@H+]2CC[C@@]3(C)[C@@H](C2)C3(Br)Br)nn1 ZINC000899883693 663702207 /nfs/dbraw/zinc/70/22/07/663702207.db2.gz FIKSEOVHXPSKTH-MNOVXSKESA-N 1 0 378.112 2.626 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)c1nn2c(c1Br)CCC2)C1CCCCC1 ZINC000900197989 663709484 /nfs/dbraw/zinc/70/94/84/663709484.db2.gz OWWPTOFQRGTEMT-AWEZNQCLSA-N 1 0 383.334 2.832 20 0 GFADRO CN(CCc1ccc(Br)cc1)C(=O)c1ccnn1CC[NH+](C)C ZINC000900607662 663717984 /nfs/dbraw/zinc/71/79/84/663717984.db2.gz MUVODSPBFKMSOA-UHFFFAOYSA-N 1 0 379.302 2.522 20 0 GFADRO C[NH+](C)CCn1nccc1C(=O)NCCCc1cccc(Br)c1 ZINC000900635471 663718632 /nfs/dbraw/zinc/71/86/32/663718632.db2.gz SNIMFLAZBBAOIW-UHFFFAOYSA-N 1 0 379.302 2.570 20 0 GFADRO CC[NH+]1CCN(CCNC(=O)C(C)(C)Cc2ccc(Br)cc2)CC1 ZINC000900685922 663719800 /nfs/dbraw/zinc/71/98/00/663719800.db2.gz BRYAHHOUZFLZKD-UHFFFAOYSA-N 1 0 396.373 2.772 20 0 GFADRO C[NH+](C)CC1(C(=O)N[C@@H]2CCc3ncc(Br)n3C2)CCCCC1 ZINC000900924763 663725645 /nfs/dbraw/zinc/72/56/45/663725645.db2.gz UFVAQLXXAVYTHA-CYBMUJFWSA-N 1 0 383.334 2.589 20 0 GFADRO CCn1c(Br)ncc1C(=O)N1C[C@@H](C[NH+](C)C)Oc2ccccc21 ZINC000901059342 663729518 /nfs/dbraw/zinc/72/95/18/663729518.db2.gz BSCSOEUSHZPQMR-GFCCVEGCSA-N 1 0 393.285 2.635 20 0 GFADRO NC(=O)[C@H]([NH2+]C[C@H]1CCCN1CC(F)(F)F)c1cccc(Br)c1 ZINC000901572283 663737948 /nfs/dbraw/zinc/73/79/48/663737948.db2.gz IZHJKESBRPZHEL-CHWSQXEVSA-N 1 0 394.235 2.592 20 0 GFADRO NC(=O)[C@@H]([NH2+]C[C@H]1CCCN1CC(F)(F)F)c1ccc(Br)cc1 ZINC000901573870 663737962 /nfs/dbraw/zinc/73/79/62/663737962.db2.gz UKDSGJSKGGKSHM-OLZOCXBDSA-N 1 0 394.235 2.592 20 0 GFADRO CC[NH+]1CCC(NC(=O)CN=[S@](=O)(c2ccccc2)C(F)(F)F)CC1 ZINC000902457882 663761449 /nfs/dbraw/zinc/76/14/49/663761449.db2.gz ZARFVLXTZZJOSG-VWLOTQADSA-N 1 0 377.432 2.634 20 0 GFADRO COc1cc([C@H](C)NC[C@@H]2CCCCC[NH2+]2)ccc1S(=O)(=O)C(F)F ZINC000902483034 663761882 /nfs/dbraw/zinc/76/18/82/663761882.db2.gz OQPRNRIXOFMZHO-JSGCOSHPSA-N 1 0 376.469 2.874 20 0 GFADRO CC(=O)N(c1nn(CN2CC[N@@H+](C)C[C@H]2CC(C)C)c(=S)s1)C1CC1 ZINC000902542446 663762883 /nfs/dbraw/zinc/76/28/83/663762883.db2.gz LFBCJKIZOZIORV-OAHLLOKOSA-N 1 0 383.587 2.809 20 0 GFADRO CC(C)C[C@@H]1CN(C)CC[N@@H+]1Cn1nc(Br)c(=O)c2ccccc21 ZINC000902541967 663762941 /nfs/dbraw/zinc/76/29/41/663762941.db2.gz KICJDKGGYZYIFJ-CQSZACIVSA-N 1 0 393.329 2.779 20 0 GFADRO Brc1cccc(N2CC[C@H](C[NH2+][C@@H]3CCO[C@]34CCOC4)C2)c1 ZINC000903076611 663772519 /nfs/dbraw/zinc/77/25/19/663772519.db2.gz SMYAJJRIJDVVRZ-OLMNPRSZSA-N 1 0 381.314 2.813 20 0 GFADRO C[C@@H]([NH2+]CCOC[C@@H]1CCOC1)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000903094003 663773169 /nfs/dbraw/zinc/77/31/69/663773169.db2.gz WEFSUPUIITVSFP-CHWSQXEVSA-N 1 0 381.416 2.684 20 0 GFADRO Cc1cc(C(F)(F)F)nn1CC[NH2+][C@H](C)CS(=O)(=O)c1ccccc1 ZINC000903165459 663776589 /nfs/dbraw/zinc/77/65/89/663776589.db2.gz UEPATECSYUNACX-GFCCVEGCSA-N 1 0 375.416 2.662 20 0 GFADRO C[C@H](Cc1cnn(C)c1)[NH2+][C@H](C)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000903186488 663777478 /nfs/dbraw/zinc/77/74/78/663777478.db2.gz LKJLNFKSCRLOON-VXGBXAGGSA-N 1 0 375.416 2.995 20 0 GFADRO Brc1cccc(CN2CCC([NH2+][C@@H]3CCO[C@]34CCOC4)CC2)c1 ZINC000903189981 663777754 /nfs/dbraw/zinc/77/77/54/663777754.db2.gz MHEDGOIDZMDBPK-MOPGFXCFSA-N 1 0 395.341 2.951 20 0 GFADRO C[C@H]([NH2+][C@H](CO)C[C@H]1CCCO1)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000903218896 663778857 /nfs/dbraw/zinc/77/88/57/663778857.db2.gz DXWYJEFYXDZNNN-FPMFFAJLSA-N 1 0 381.416 2.561 20 0 GFADRO COc1cc([C@@H](C)[NH2+][C@@H]2CCO[C@H]2C2CC2)ccc1S(=O)(=O)C(F)F ZINC000903266462 663780752 /nfs/dbraw/zinc/78/07/52/663780752.db2.gz WNFNQKBFGLSXKI-ZXIHIIQKSA-N 1 0 375.437 2.910 20 0 GFADRO C[C@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+]CCS(=O)(=O)N1CCCC1 ZINC000903292217 663781041 /nfs/dbraw/zinc/78/10/41/663781041.db2.gz SNDJIVJWVRTFTH-LLVKDONJSA-N 1 0 399.866 2.700 20 0 GFADRO CO[C@]1(C[NH2+][C@@H](CSC)c2ccc(C(F)(F)F)cc2)CCS(=O)(=O)C1 ZINC000903364966 663783058 /nfs/dbraw/zinc/78/30/58/663783058.db2.gz GBYROTSRSRLQFR-GJZGRUSLSA-N 1 0 397.484 2.903 20 0 GFADRO O=c1cc(N2CC[C@@H]([NH2+][C@@H]3CCc4c3cc(Br)cc4F)C2)nc[nH]1 ZINC000903399985 663783932 /nfs/dbraw/zinc/78/39/32/663783932.db2.gz ZUWOTTDXQNZEIX-IAQYHMDHSA-N 1 0 393.260 2.940 20 0 GFADRO COc1ncc([C@@H](C)[NH2+]Cc2cccc(N(C)S(C)(=O)=O)c2)cc1Cl ZINC000903424583 663784427 /nfs/dbraw/zinc/78/44/27/663784427.db2.gz YQXYLFDMEMCVCN-GFCCVEGCSA-N 1 0 383.901 2.990 20 0 GFADRO COc1ncc([C@H](C)[NH2+][C@@H]2CCN(c3cn[nH]c(=O)c3Cl)C2)cc1Cl ZINC000903434235 663784716 /nfs/dbraw/zinc/78/47/16/663784716.db2.gz KTRDEPCUXMGWEA-GXSJLCMTSA-N 1 0 384.267 2.822 20 0 GFADRO COC(=O)C1CC2(C1)C[C@@H]([NH2+][C@@H](C)c1cc(C)sc1C)CCS2(=O)=O ZINC000903453134 663785083 /nfs/dbraw/zinc/78/50/83/663785083.db2.gz SWDQHISOYZEEFU-MNSPSGFLSA-N 1 0 385.551 2.915 20 0 GFADRO O=S(=O)(c1c[nH]c2ncc(Cl)cc12)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000903499517 663785674 /nfs/dbraw/zinc/78/56/74/663785674.db2.gz LDRPVAYDWIHAGL-STQMWFEESA-N 1 0 382.917 2.617 20 0 GFADRO C[C@@H]([NH3+])C1CCN(S(=O)(=O)Cc2cccc(Cl)c2Br)CC1 ZINC000903512668 663786257 /nfs/dbraw/zinc/78/62/57/663786257.db2.gz CEIVFAINIMFHCO-SNVBAGLBSA-N 1 0 395.750 2.992 20 0 GFADRO C[C@@H]1CN(S(=O)(=O)Cc2cccc(Cl)c2Br)CC[C@H]1[NH3+] ZINC000903513456 663786279 /nfs/dbraw/zinc/78/62/79/663786279.db2.gz NWOKETCOOPHXJS-BXKDBHETSA-N 1 0 381.723 2.601 20 0 GFADRO CC(C)(C[NH3+])C1CCN(S(=O)(=O)c2cscc2Br)CC1 ZINC000903522520 663787094 /nfs/dbraw/zinc/78/70/94/663787094.db2.gz HTDDXROGRKMQMP-UHFFFAOYSA-N 1 0 381.361 2.896 20 0 GFADRO Cc1ccc(S(=O)(=O)N2CCC(C[NH3+])(c3ccccc3)CC2)c(Cl)n1 ZINC000903532419 663787491 /nfs/dbraw/zinc/78/74/91/663787491.db2.gz FUEAANWWFNHLCY-UHFFFAOYSA-N 1 0 379.913 2.725 20 0 GFADRO Cc1cc(S(=O)(=O)N[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c(C)s1 ZINC000903573515 663789450 /nfs/dbraw/zinc/78/94/50/663789450.db2.gz JRDFRBGZIHLABL-CRAIPNDOSA-N 1 0 378.519 2.899 20 0 GFADRO [NH3+][C@H]1CN(S(=O)(=O)c2cc(Cl)sc2Cl)CC[C@H]1C(F)(F)F ZINC000903578344 663789930 /nfs/dbraw/zinc/78/99/30/663789930.db2.gz GJOTUJLZHIAIOC-RITPCOANSA-N 1 0 383.244 2.955 20 0 GFADRO [NH3+]C[C@@H]1Cc2cc(F)ccc2N(S(=O)(=O)c2onc(C3CC3)c2Cl)C1 ZINC000903588668 663790861 /nfs/dbraw/zinc/79/08/61/663790861.db2.gz ONIHILLDSXHZBH-VIFPVBQESA-N 1 0 385.848 2.671 20 0 GFADRO Brc1ccc([C@@H]2CN(C[C@@H]3C[C@]4(CC[NH2+]C4)CO3)CCO2)cc1 ZINC000903727137 663805139 /nfs/dbraw/zinc/80/51/39/663805139.db2.gz QWCDBTHBPNVFON-BZSNNMDCSA-N 1 0 381.314 2.591 20 0 GFADRO Brc1cccc2c1CCN(Cc1cnnn1[C@@H]1CCC[NH2+]C1)C2 ZINC000903889059 663809990 /nfs/dbraw/zinc/80/99/90/663809990.db2.gz NOAMRKMKKKRKRO-CQSZACIVSA-N 1 0 376.302 2.523 20 0 GFADRO Cc1c(C[C@@H](C[NH3+])CN2CCOc3cccc(Br)c3C2)cnn1C ZINC000903932645 663812529 /nfs/dbraw/zinc/81/25/29/663812529.db2.gz UURTUZDXYNWQIZ-AWEZNQCLSA-N 1 0 393.329 2.503 20 0 GFADRO COc1cc(Br)c(CN2CC[C@@H](C(F)(F)F)[C@H]([NH3+])C2)cc1O ZINC000903983626 663815218 /nfs/dbraw/zinc/81/52/18/663815218.db2.gz KMIQPSSTSYWPKP-MWLCHTKSSA-N 1 0 383.208 2.875 20 0 GFADRO CCS(=O)(=O)c1c(Cl)cccc1CN1CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000903984342 663815580 /nfs/dbraw/zinc/81/55/80/663815580.db2.gz UJFQKLZNQZSMPX-YPMHNXCESA-N 1 0 384.851 2.845 20 0 GFADRO CCS(=O)(=O)c1c(Cl)cccc1CN1CC[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903984340 663815583 /nfs/dbraw/zinc/81/55/83/663815583.db2.gz UJFQKLZNQZSMPX-DGCLKSJQSA-N 1 0 384.851 2.845 20 0 GFADRO O=C(Nc1cc2c(cc1Br)OCCO2)N1CCC[C@]12CC[NH2+]C2 ZINC000904278917 663829937 /nfs/dbraw/zinc/82/99/37/663829937.db2.gz MVFMZSQTDNOOGT-MRXNPFEDSA-N 1 0 382.258 2.580 20 0 GFADRO COC[C@@H]1C[NH2+]CCN1C(=O)Nc1ccc(Br)cc1C(F)(F)F ZINC000904303873 663830181 /nfs/dbraw/zinc/83/01/81/663830181.db2.gz KJQSNKHZQOJSPQ-JTQLQIEISA-N 1 0 396.207 2.920 20 0 GFADRO O=C(Nc1ccc(F)cc1I)N1CCC[C@]12CC[NH2+]C2 ZINC000904364578 663831337 /nfs/dbraw/zinc/83/13/37/663831337.db2.gz MXFGIKYPKAUYHO-CQSZACIVSA-N 1 0 389.212 2.790 20 0 GFADRO CCOC(=O)c1c(NC(=O)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)sc2c1CCSC2 ZINC000904389369 663832372 /nfs/dbraw/zinc/83/23/72/663832372.db2.gz KZEOYHZUAXDLLU-MVWJERBFSA-N 1 0 381.523 2.729 20 0 GFADRO [NH3+]C[C@@]12CC[C@H]1CCN2C(=O)Nc1cccc(F)c1I ZINC000904393982 663832547 /nfs/dbraw/zinc/83/25/47/663832547.db2.gz KEKKHVUGHSPHHQ-XPTSAGLGSA-N 1 0 389.212 2.775 20 0 GFADRO [NH3+][C@]1(CO)CCCN(Cc2cnc(-c3ccc(Br)cc3)s2)C1 ZINC000904402488 663832818 /nfs/dbraw/zinc/83/28/18/663832818.db2.gz QAECJPHXFKCQSF-MRXNPFEDSA-N 1 0 382.327 2.858 20 0 GFADRO Cc1ccc(I)cc1NC(=O)N1CCC[C@]12CC[NH2+]C2 ZINC000904425097 663833614 /nfs/dbraw/zinc/83/36/14/663833614.db2.gz YFCPHHQIHNNMQZ-OAHLLOKOSA-N 1 0 385.249 2.959 20 0 GFADRO COC[C@H]1C[NH2+]CCN1C(=O)Nc1nc2c(cccc2Br)s1 ZINC000904485197 663836030 /nfs/dbraw/zinc/83/60/30/663836030.db2.gz RCFZBNOSPHTYDF-SECBINFHSA-N 1 0 385.287 2.511 20 0 GFADRO COCC[C@@H]1C[NH2+]CCN1C(=O)Nc1cccc(Cl)c1OCC(F)F ZINC000904485786 663836042 /nfs/dbraw/zinc/83/60/42/663836042.db2.gz VGMXYOWMRRHDRV-LLVKDONJSA-N 1 0 377.819 2.826 20 0 GFADRO COCCOc1ccc(NC(=O)N[C@H]2CC[C@H](C[NH3+])C2)cc1Br ZINC000904550967 663837954 /nfs/dbraw/zinc/83/79/54/663837954.db2.gz INMSVNKXBUSPIB-RYUDHWBXSA-N 1 0 386.290 2.723 20 0 GFADRO C[C@@H]([NH3+])C1(c2nc(Cc3ccc(F)c(Br)c3)no2)CCOCC1 ZINC000904665722 663839735 /nfs/dbraw/zinc/83/97/35/663839735.db2.gz NYOZSWYEFYQPCZ-SNVBAGLBSA-N 1 0 384.249 2.957 20 0 GFADRO N[C@H](Cc1nc(Cc2cccc(F)c2I)no1)C(F)F ZINC000904673301 663840133 /nfs/dbraw/zinc/84/01/33/663840133.db2.gz TVFFWMRSGIDRHW-MRVPVSSYSA-N 1 0 397.138 2.539 20 0 GFADRO OCC1(C[C@H](O)C[NH2+][C@H]2CCN(c3ccc(Br)cc3)C2)CCCC1 ZINC000905095890 663852801 /nfs/dbraw/zinc/85/28/01/663852801.db2.gz HFLWULPJSDLDMD-WMZOPIPTSA-N 1 0 397.357 2.921 20 0 GFADRO O[C@@H](C[NH2+][C@H]1CCN(c2ccc(Br)cc2)C1)CC1(O)CCCC1 ZINC000905099158 663852817 /nfs/dbraw/zinc/85/28/17/663852817.db2.gz YZDXTSARFMKTSL-DOTOQJQBSA-N 1 0 383.330 2.674 20 0 GFADRO O[C@H](C[NH2+]Cc1cc(Cl)cc(Cl)c1OC(F)F)C[C@@]1(O)CCOC1 ZINC000905162785 663855779 /nfs/dbraw/zinc/85/57/79/663855779.db2.gz XMRFJUUNMCITQA-NHYWBVRUSA-N 1 0 386.222 2.587 20 0 GFADRO COCCC(=O)N1CCC([NH2+]C[C@@H](O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000905178121 663856999 /nfs/dbraw/zinc/85/69/99/663856999.db2.gz ZHHBSPFJSRXKDU-MRXNPFEDSA-N 1 0 375.296 2.644 20 0 GFADRO CCn1c2ccc(Br)cc2nc1C[NH2+]C[C@@H](O)CC1(O)CCCC1 ZINC000905229202 663860749 /nfs/dbraw/zinc/86/07/49/663860749.db2.gz HPMJJESHHSQMJJ-AWEZNQCLSA-N 1 0 396.329 2.964 20 0 GFADRO O=S(=O)(CC1CC[NH2+]CC1)N[C@H](c1cccc(Cl)c1)c1ccccn1 ZINC000905344277 663866432 /nfs/dbraw/zinc/86/64/32/663866432.db2.gz VWOSXKDETUQMDG-GOSISDBHSA-N 1 0 379.913 2.743 20 0 GFADRO CC1(C)C[NH2+][C@H]1C1CCN(S(=O)(=O)c2c(Cl)ccnc2Cl)CC1 ZINC000905356292 663867207 /nfs/dbraw/zinc/86/72/07/663867207.db2.gz MLJFIGVSAFCNGU-ZDUSSCGKSA-N 1 0 378.325 2.787 20 0 GFADRO CC1(C)C[NH2+][C@@H]1C1CCN(S(=O)(=O)c2ccc3onc(Cl)c3c2)CC1 ZINC000905356049 663867227 /nfs/dbraw/zinc/86/72/27/663867227.db2.gz KIGSPNWUIDMPBQ-OAHLLOKOSA-N 1 0 383.901 2.880 20 0 GFADRO Cc1nc2c(n1CCO)CC[C@H]([NH2+]C[C@@H](O)c1ccc(Cl)c(Cl)c1)C2 ZINC000905372337 663868240 /nfs/dbraw/zinc/86/82/40/663868240.db2.gz JXBFGXREQGPXBX-SCLBCKFNSA-N 1 0 384.307 2.671 20 0 GFADRO COC[C@H](C)OC[C@@H](O)C[NH2+]CCc1cc(Cl)cc(Br)c1 ZINC000905418852 663870625 /nfs/dbraw/zinc/87/06/25/663870625.db2.gz LXHOSVZHTDWDBY-NHYWBVRUSA-N 1 0 380.710 2.647 20 0 GFADRO O[C@H](C[NH2+]C[C@@H](O)c1ccc(Br)cc1)C(F)(F)C(F)(F)F ZINC000905446766 663871654 /nfs/dbraw/zinc/87/16/54/663871654.db2.gz LTKZMVGXSGGSBH-NXEZZACHSA-N 1 0 378.135 2.631 20 0 GFADRO C[C@](O)(C[NH2+][C@H]1CC[C@@H](O)[C@@H](O)CC1)c1ccc(Br)cc1Cl ZINC000905465701 663872916 /nfs/dbraw/zinc/87/29/16/663872916.db2.gz OESQLCGVKBZVMQ-MWNCTCPHSA-N 1 0 392.721 2.564 20 0 GFADRO C[C@](O)(C[C@H](O)C[NH2+]Cc1ccn(-c2ccc(Br)cc2)n1)C1CC1 ZINC000905478824 663873124 /nfs/dbraw/zinc/87/31/24/663873124.db2.gz NVRGZIPCYNOUFP-ROUUACIJSA-N 1 0 394.313 2.636 20 0 GFADRO O[C@@H](C[NH2+]Cc1cc(Br)c2ccccc2c1)CC1(O)CCOCC1 ZINC000905517070 663875407 /nfs/dbraw/zinc/87/54/07/663875407.db2.gz QFFQZAUCZBWCKZ-MRXNPFEDSA-N 1 0 394.309 2.984 20 0 GFADRO O[C@H](C[NH2+]Cc1cc(Br)ccc1Cl)COC1CCOCC1 ZINC000905525815 663876338 /nfs/dbraw/zinc/87/63/38/663876338.db2.gz QXSVSVONGYONJL-CYBMUJFWSA-N 1 0 378.694 2.749 20 0 GFADRO CSc1ccc(OC[C@H](O)C[NH2+]Cc2cc(C(F)(F)F)nn2C)cc1 ZINC000905570503 663878917 /nfs/dbraw/zinc/87/89/17/663878917.db2.gz XOFMRTINMHOZAW-GFCCVEGCSA-N 1 0 375.416 2.690 20 0 GFADRO COC(=O)[C@H]1C[C@@H]2C[C@H]([NH2+]CCC(=O)Nc3cccc(Br)c3)[C@@H]2C1 ZINC000905652350 663883713 /nfs/dbraw/zinc/88/37/13/663883713.db2.gz DYACWRMAEHMKNA-KOZAUXTDSA-N 1 0 395.297 2.955 20 0 GFADRO O=C1NC2(CC[NH2+]CC2)C(=O)N1Cc1cc(Br)c2ccccc2c1 ZINC000905735665 663889989 /nfs/dbraw/zinc/88/99/89/663889989.db2.gz UUZKQIDIKCUJCQ-UHFFFAOYSA-N 1 0 388.265 2.776 20 0 GFADRO C[C@@H]1OC[C@]2(CC[C@H](C[NH2+][C@H](C(N)=O)c3cccc(Br)c3)O2)[C@H]1C ZINC000905842479 663896298 /nfs/dbraw/zinc/89/62/98/663896298.db2.gz NWIJYMZSWHDVGH-PADGBSRFSA-N 1 0 397.313 2.538 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCOc2ccc(Br)cc21)C(=O)NCC(F)(F)F ZINC000905856397 663897216 /nfs/dbraw/zinc/89/72/16/663897216.db2.gz OYBHBEHUDRITGT-GZMMTYOYSA-N 1 0 381.192 2.929 20 0 GFADRO COCCC[NH+]1CCC(NC(=O)Cc2sc(C)cc2Br)CC1 ZINC000906521336 663955360 /nfs/dbraw/zinc/95/53/60/663955360.db2.gz XTZXPSHZVRDCBS-UHFFFAOYSA-N 1 0 389.359 2.979 20 0 GFADRO CN(CC[NH+]1CCCC1)C(=O)c1ccc(Cn2cc(Br)cn2)s1 ZINC000906559089 663958103 /nfs/dbraw/zinc/95/81/03/663958103.db2.gz UECOHHQWXIWPNW-UHFFFAOYSA-N 1 0 397.342 2.923 20 0 GFADRO C[N@@H+]1CCC[C@@H](NC(=O)c2c(Cl)ccc(I)c2F)C1 ZINC000906584474 663959861 /nfs/dbraw/zinc/95/98/61/663959861.db2.gz JSTMOJOVYWKTBO-MRVPVSSYSA-N 1 0 396.631 2.908 20 0 GFADRO Cc1cc(C(=O)NCC2CC[NH2+]CC2)nn1-c1ccccc1Br ZINC000906626936 663961693 /nfs/dbraw/zinc/96/16/93/663961693.db2.gz ICYUSJLKMQTGMN-UHFFFAOYSA-N 1 0 377.286 2.673 20 0 GFADRO CO[C@@H](C(=O)N1CCC(C[NH+](C)C)CC1)c1ccc(Br)s1 ZINC000906673389 663964399 /nfs/dbraw/zinc/96/43/99/663964399.db2.gz FAFRUAMRZYFINY-CQSZACIVSA-N 1 0 375.332 2.998 20 0 GFADRO O=C(Nc1ccc(Br)c2ccccc12)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000906726653 663967394 /nfs/dbraw/zinc/96/73/94/663967394.db2.gz FGYCEGMIPJKXQP-HPEXNQPKSA-N 1 0 388.265 2.550 20 0 GFADRO CCOc1c(Cl)cc(NC(=O)C(=O)N2CCC[C@]23CC[NH2+]C3)cc1Cl ZINC000906765507 663969168 /nfs/dbraw/zinc/96/91/68/663969168.db2.gz NSXANKZTIDUMFB-QGZVFWFLSA-N 1 0 386.279 2.685 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc(Br)cn(C3CC3)c2=O)[C@@H](C)C1 ZINC000906793728 663971509 /nfs/dbraw/zinc/97/15/09/663971509.db2.gz REDJOYHTPQLMLX-LRDDRELGSA-N 1 0 396.329 2.748 20 0 GFADRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)c2cc(Br)cn(C3CC3)c2=O)C1 ZINC000906916585 663982094 /nfs/dbraw/zinc/98/20/94/663982094.db2.gz RHLONHWIPBWFEV-JSGCOSHPSA-N 1 0 382.302 2.548 20 0 GFADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)C(F)(F)c3ncccc3Br)CC[C@@H]21 ZINC000907038148 663995288 /nfs/dbraw/zinc/99/52/88/663995288.db2.gz RACCZFPQMVEWBJ-YPMHNXCESA-N 1 0 388.256 2.879 20 0 GFADRO Cc1cccc(CNC(=O)CCN2CC[NH+](C(C)C)CC2)c1Br ZINC000907649336 664050257 /nfs/dbraw/zinc/05/02/57/664050257.db2.gz JFALLGXKKBRUEN-UHFFFAOYSA-N 1 0 382.346 2.790 20 0 GFADRO CC(C)[NH+]1CCN(CCC(=O)N2CCc3ccc(Br)cc3C2)CC1 ZINC000908074422 664081562 /nfs/dbraw/zinc/08/15/62/664081562.db2.gz YZHFXRBYMKBMRS-UHFFFAOYSA-N 1 0 394.357 2.750 20 0 GFADRO CCCN(CC[NH+]1CCCC1)C(=O)c1cc(Br)cn(C2CC2)c1=O ZINC000908147952 664087889 /nfs/dbraw/zinc/08/78/89/664087889.db2.gz ZVNMWHJBDGVVAT-UHFFFAOYSA-N 1 0 396.329 2.894 20 0 GFADRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1cccn2ncc(Br)c12 ZINC000908190082 664090752 /nfs/dbraw/zinc/09/07/52/664090752.db2.gz NWWOPNKAFGWMKW-WFASDCNBSA-N 1 0 377.286 2.796 20 0 GFADRO C[C@H]1[C@H](NC(=O)Cc2c(Br)cnn2C)CC[N@@H+]1Cc1ccccc1 ZINC000908229566 664093278 /nfs/dbraw/zinc/09/32/78/664093278.db2.gz IMJGOTIBOHXACL-XJKSGUPXSA-N 1 0 391.313 2.504 20 0 GFADRO CC(C)[NH2+]C1(CO)CCN(C(=O)c2cc3cc(Br)ccc3[nH]2)CC1 ZINC000908590293 664115726 /nfs/dbraw/zinc/11/57/26/664115726.db2.gz FGECSJGJPSRVJB-UHFFFAOYSA-N 1 0 394.313 2.896 20 0 GFADRO Cc1ncc(Br)cc1NC(=O)C1CCC([NH+]2CCOCC2)CC1 ZINC000909014053 664141298 /nfs/dbraw/zinc/14/12/98/664141298.db2.gz HOBPDDCRLFBRAC-UHFFFAOYSA-N 1 0 382.302 2.982 20 0 GFADRO C[N@H+](CCCCNC(=O)c1cc(Br)cn(C2CC2)c1=O)C1CC1 ZINC000909556398 664162742 /nfs/dbraw/zinc/16/27/42/664162742.db2.gz QFTXFBRPBPGYRJ-UHFFFAOYSA-N 1 0 382.302 2.550 20 0 GFADRO Cc1cc(C[NH+](C)C)ccc1NC(=O)c1sccc1S(=O)(=O)N(C)C ZINC000909611968 664165148 /nfs/dbraw/zinc/16/51/48/664165148.db2.gz BWNVQMCTLAFDBX-UHFFFAOYSA-N 1 0 381.523 2.621 20 0 GFADRO C[NH+](C)CCOc1ccc(NC(=O)C[C@H](O)C(Cl)(Cl)Cl)cc1F ZINC000909927612 664183935 /nfs/dbraw/zinc/18/39/35/664183935.db2.gz UFTLXLXJLOZLCD-LBPRGKRZSA-N 1 0 387.666 2.826 20 0 GFADRO CC[C@H](C(=O)N1CCc2[nH]cnc2[C@@H]1c1ccc(Br)cc1)[NH+](C)C ZINC000911253353 664240694 /nfs/dbraw/zinc/24/06/94/664240694.db2.gz UJUIADWXXAMYJR-WBVHZDCISA-N 1 0 391.313 2.987 20 0 GFADRO [NH3+][C@@H]1CC[C@H](CNC(=O)C(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000911487568 664246467 /nfs/dbraw/zinc/24/64/67/664246467.db2.gz VLGDQOBAGSQVGF-NORZTCDRSA-N 1 0 384.307 2.901 20 0 GFADRO C[NH2+][C@H]1CCN(C(=O)c2c(Cl)ccc(I)c2F)C1 ZINC000911660568 664251756 /nfs/dbraw/zinc/25/17/56/664251756.db2.gz KYJFKMLQWOIEHI-ZETCQYMHSA-N 1 0 382.604 2.518 20 0 GFADRO Cc1ccc(F)c(Br)c1C(=O)N1CCOC2(CC[NH+](C)CC2)C1 ZINC000911594109 664249737 /nfs/dbraw/zinc/24/97/37/664249737.db2.gz BXOUREDAWMAPBE-UHFFFAOYSA-N 1 0 385.277 2.833 20 0 GFADRO [NH3+]C1(CNC(=O)C[C@@H]2C(=O)Nc3c2cccc3Br)CCCCC1 ZINC000911651929 664251599 /nfs/dbraw/zinc/25/15/99/664251599.db2.gz JRMGJMRJETZTNG-LBPRGKRZSA-N 1 0 380.286 2.653 20 0 GFADRO O=C(c1cnnn1-c1cccc(Cl)c1Cl)N(C1CC1)C1CC[NH2+]CC1 ZINC000911677982 664252497 /nfs/dbraw/zinc/25/24/97/664252497.db2.gz PZTGZHLFIXRJSL-UHFFFAOYSA-N 1 0 380.279 2.931 20 0 GFADRO Cc1c(C(=O)N2CCCC[C@@H]2[C@H](C)[NH3+])nnn1-c1ccccc1Br ZINC000911685830 664253079 /nfs/dbraw/zinc/25/30/79/664253079.db2.gz WIKUFKLDCMWGPC-SMDDNHRTSA-N 1 0 392.301 2.680 20 0 GFADRO C[NH2+][C@H]1CCCN(C(=O)c2ccc(Cn3cc(Br)cn3)s2)C1 ZINC000911736041 664254770 /nfs/dbraw/zinc/25/47/70/664254770.db2.gz GNHQCBAECODEET-LBPRGKRZSA-N 1 0 383.315 2.579 20 0 GFADRO Cc1cc(C(=O)NCC[C@@H]2CC[NH2+]C2)nn1-c1ccccc1Br ZINC000911776810 664256332 /nfs/dbraw/zinc/25/63/32/664256332.db2.gz YBRCFZBCZYEPIM-ZDUSSCGKSA-N 1 0 377.286 2.673 20 0 GFADRO [NH3+]CCCOC1CCN(C(=O)c2cc(F)cc(Br)c2F)CC1 ZINC000911875783 664260274 /nfs/dbraw/zinc/26/02/74/664260274.db2.gz UAKRPLSVAWKYRM-UHFFFAOYSA-N 1 0 377.229 2.697 20 0 GFADRO C[NH+]1CCC(N(CCO)C(=O)c2cc3c(ccc(F)c3Br)[nH]2)CC1 ZINC000911943493 664263222 /nfs/dbraw/zinc/26/32/22/664263222.db2.gz YAQJWEOYUQBMNS-UHFFFAOYSA-N 1 0 398.276 2.598 20 0 GFADRO CCN(CC)S(=O)(=O)c1cc(NC(=O)CC(C)(C)C[NH3+])ccc1Cl ZINC000911993402 664265389 /nfs/dbraw/zinc/26/53/89/664265389.db2.gz UUQDVKGAIMJMFR-UHFFFAOYSA-N 1 0 375.922 2.684 20 0 GFADRO C[C@H]1CN(c2ccc(-c3nnc(Br)o3)cc2)CC[N@@H+]1CC(C)(C)O ZINC000912079534 664269481 /nfs/dbraw/zinc/26/94/81/664269481.db2.gz OOEZHQPFIHBWQT-LBPRGKRZSA-N 1 0 395.301 2.781 20 0 GFADRO O=C(C[C@]1(O)CCC[NH2+]C1)Nc1ccnn1Cc1cccc(Cl)c1Cl ZINC000912148761 664271746 /nfs/dbraw/zinc/27/17/46/664271746.db2.gz LSNRTTQXMZCEIW-QGZVFWFLSA-N 1 0 383.279 2.681 20 0 GFADRO OCCC[N@@H+]1CCC[C@H]1CNc1ccc(-c2nnc(Br)o2)cc1 ZINC000912183518 664274636 /nfs/dbraw/zinc/27/46/36/664274636.db2.gz NTXXFECJGXEJTG-AWEZNQCLSA-N 1 0 381.274 2.758 20 0 GFADRO CC(C)Oc1ccc(NC(=O)c2cc(Br)cn(CC[NH3+])c2=O)cc1 ZINC000912259185 664278434 /nfs/dbraw/zinc/27/84/34/664278434.db2.gz OMCSSPLBVDTOPF-UHFFFAOYSA-N 1 0 394.269 2.609 20 0 GFADRO O=C(NC1CC[NH+](C2CCOCC2)CC1)[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC000912347372 664283031 /nfs/dbraw/zinc/28/30/31/664283031.db2.gz RQRKDYMTLMPRJS-KRWDZBQOSA-N 1 0 387.307 2.786 20 0 GFADRO Cc1cc([C@H](C)NC(=O)c2cc(Br)cn(CC[NH3+])c2=O)c(C)s1 ZINC000912368188 664283845 /nfs/dbraw/zinc/28/38/45/664283845.db2.gz OVCIIWMTIMAOEP-JTQLQIEISA-N 1 0 398.326 2.739 20 0 GFADRO CCOC(=O)CCCNC(=O)C1(c2ccc(Br)cc2)CC[NH2+]CC1 ZINC000912447202 664287252 /nfs/dbraw/zinc/28/72/52/664287252.db2.gz CHXWVSLTQJJALT-UHFFFAOYSA-N 1 0 397.313 2.530 20 0 GFADRO CC(C)CN(C(=O)c1cc(Br)cn(CC[NH3+])c1=O)C1CCCC1 ZINC000912490494 664290316 /nfs/dbraw/zinc/29/03/16/664290316.db2.gz VSPSPEMCPGAJSS-UHFFFAOYSA-N 1 0 384.318 2.610 20 0 GFADRO CCC[N@H+](C)CC(=O)N[C@@H](c1nccn1C)c1ccc(Br)cc1 ZINC000912679621 664297992 /nfs/dbraw/zinc/29/79/92/664297992.db2.gz YVXCPKNEPYRPRA-MRXNPFEDSA-N 1 0 379.302 2.730 20 0 GFADRO O=C(c1cc(Br)ccc1OC(F)F)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000912902395 664309484 /nfs/dbraw/zinc/30/94/84/664309484.db2.gz LRDNQINZUNPTPC-LLVKDONJSA-N 1 0 375.213 2.971 20 0 GFADRO O=C(c1cn(-c2ccc(Br)cc2)cn1)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000912914122 664309815 /nfs/dbraw/zinc/30/98/15/664309815.db2.gz VZFUXGICGVKVFD-OAHLLOKOSA-N 1 0 375.270 2.555 20 0 GFADRO O=C(CSc1nnc(-c2ccc(Cl)cc2)o1)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000912925387 664310657 /nfs/dbraw/zinc/31/06/57/664310657.db2.gz ITKRPIYHFXTGQG-CQSZACIVSA-N 1 0 378.885 2.789 20 0 GFADRO C[NH+](C)CC1(O)CCN(C(=O)c2cc(Br)cc3cccnc32)CC1 ZINC000913678968 664349268 /nfs/dbraw/zinc/34/92/68/664349268.db2.gz GFIMLMFNJKYTLH-UHFFFAOYSA-N 1 0 392.297 2.526 20 0 GFADRO Cc1cc(CCC(=O)N2CCC(O)(C[NH+](C)C)CC2)ccc1Br ZINC000913679653 664349321 /nfs/dbraw/zinc/34/93/21/664349321.db2.gz LEMWOFBBOWJLMN-UHFFFAOYSA-N 1 0 383.330 2.605 20 0 GFADRO C[C@H](Oc1cccc(Cl)c1Cl)C(=O)N1CCC(O)(C[NH+](C)C)CC1 ZINC000913681552 664349535 /nfs/dbraw/zinc/34/95/35/664349535.db2.gz NKXBFDCEFRMDAT-LBPRGKRZSA-N 1 0 375.296 2.676 20 0 GFADRO C[NH+](C)CC1(O)CCN(C(=O)C(C)(C)c2cccc(Br)c2)CC1 ZINC000913680040 664349545 /nfs/dbraw/zinc/34/95/45/664349545.db2.gz AUAUPNDTGXEWET-UHFFFAOYSA-N 1 0 383.330 2.642 20 0 GFADRO C[NH+](C)CC1(O)CCN(C(=O)CCCc2ccc(Br)s2)CC1 ZINC000913682276 664349575 /nfs/dbraw/zinc/34/95/75/664349575.db2.gz XZIFGUBFLAVJIY-UHFFFAOYSA-N 1 0 389.359 2.748 20 0 GFADRO C[C@H](NC(=O)C1CCC([NH+]2CCOCC2)CC1)c1ccncc1Br ZINC000913806843 664359305 /nfs/dbraw/zinc/35/93/05/664359305.db2.gz HLBGCLZVOSOLJQ-NFOMZHRRSA-N 1 0 396.329 2.912 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)N1CCC(CO)(C(F)(F)F)CC1)c1cccs1 ZINC000913874444 664362699 /nfs/dbraw/zinc/36/26/99/664362699.db2.gz GUBAESNGJLJQAP-GFCCVEGCSA-N 1 0 379.448 2.697 20 0 GFADRO CC[NH+]1CCC(NC(=O)N2CCC[C@H]2c2ncc(Br)cn2)CC1 ZINC000913894370 664364322 /nfs/dbraw/zinc/36/43/22/664364322.db2.gz QGUSWLDKKUXFFX-AWEZNQCLSA-N 1 0 382.306 2.570 20 0 GFADRO CC[NH+](CC)[C@H](CNC(=O)NCc1cnc(Br)cn1)CC(C)C ZINC000913999610 664371147 /nfs/dbraw/zinc/37/11/47/664371147.db2.gz RLPUYGPGUCBAJY-AWEZNQCLSA-N 1 0 386.338 2.795 20 0 GFADRO CC[N@@H+]1CCC[C@H](CNS(=O)(=O)Cc2ccc(F)cc2Br)C1 ZINC000914026416 664372643 /nfs/dbraw/zinc/37/26/43/664372643.db2.gz XZLMZZGIGPJSGY-GFCCVEGCSA-N 1 0 393.322 2.740 20 0 GFADRO C[NH+](C)CCN(Cc1ccccn1)S(=O)(=O)c1cscc1C(F)F ZINC000914076994 664374870 /nfs/dbraw/zinc/37/48/70/664374870.db2.gz SXXAWTFSXDKSRL-UHFFFAOYSA-N 1 0 375.466 2.833 20 0 GFADRO COc1cc(Br)cc(CNC(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000914161124 664380511 /nfs/dbraw/zinc/38/05/11/664380511.db2.gz RBDGHWMMJRUEMZ-LBPRGKRZSA-N 1 0 382.302 2.741 20 0 GFADRO O=C(NCc1ccc(Br)s1)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000914183666 664383884 /nfs/dbraw/zinc/38/38/84/664383884.db2.gz CBGAPSLLFKXZMW-GFCCVEGCSA-N 1 0 388.331 2.563 20 0 GFADRO C[C@H]1C[C@H](NS(=O)(=O)Cc2ccsc2Br)C[N@@H+]1C1CC1 ZINC000914237314 664389410 /nfs/dbraw/zinc/38/94/10/664389410.db2.gz SMMJEQMPLAIIFY-ONGXEEELSA-N 1 0 379.345 2.555 20 0 GFADRO C[C@@H](CNC(=O)NC1(c2ncc(Br)cn2)CCC1)[NH+]1CCCCC1 ZINC000914294815 664395937 /nfs/dbraw/zinc/39/59/37/664395937.db2.gz GTTVPFXQDLSQQG-ZDUSSCGKSA-N 1 0 396.333 2.792 20 0 GFADRO C[NH+](C)[C@H]1CCCN(S(=O)(=O)Cc2ccsc2Br)CC1 ZINC000914983485 664418678 /nfs/dbraw/zinc/41/86/78/664418678.db2.gz LBKDYHUVXVDMKW-LBPRGKRZSA-N 1 0 381.361 2.757 20 0 GFADRO CCC[NH+]1CCC(CNC(=O)N(C)Cc2ncc(Br)cn2)CC1 ZINC000915677940 664437292 /nfs/dbraw/zinc/43/72/92/664437292.db2.gz HBMYGYATZJZGRQ-UHFFFAOYSA-N 1 0 384.322 2.503 20 0 GFADRO CCN(C1CC[NH+](C)CC1)S(=O)(=O)Cc1ccsc1Br ZINC000916073295 664448745 /nfs/dbraw/zinc/44/87/45/664448745.db2.gz SBTOJGXJLDPDNO-UHFFFAOYSA-N 1 0 381.361 2.757 20 0 GFADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1CNCc1ccc(Cl)nc1 ZINC000916836281 664472687 /nfs/dbraw/zinc/47/26/87/664472687.db2.gz GVWPREFNHSIEPU-GFCCVEGCSA-N 1 0 389.308 2.543 20 0 GFADRO CC(C)[NH2+]C1(CO)CCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000917527532 664485410 /nfs/dbraw/zinc/48/54/10/664485410.db2.gz KUXSRNVMSKENKT-UHFFFAOYSA-N 1 0 395.352 2.648 20 0 GFADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)N1CCC[C@@]1(C)Cc1ccc(Cl)s1 ZINC000917973385 664493685 /nfs/dbraw/zinc/49/36/85/664493685.db2.gz XVUKBRXWEGVFAW-KDOFPFPSSA-N 1 0 384.977 2.754 20 0 GFADRO O=C(NCCO)C1CC[NH+](CCSc2cc(Cl)ccc2Cl)CC1 ZINC000920209935 664523765 /nfs/dbraw/zinc/52/37/65/664523765.db2.gz IFFPLHWKHRLQIU-UHFFFAOYSA-N 1 0 377.337 2.906 20 0 GFADRO CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NS(=O)(=O)c3sccc3Cl)C2)[C@H]1C(C)C ZINC000920303997 664524886 /nfs/dbraw/zinc/52/48/86/664524886.db2.gz VVXFSQCTTJRBHX-IXYNUQLISA-N 1 0 392.974 2.550 20 0 GFADRO CN(C)c1cc[nH+]c(CNS(=O)(=O)c2ccccc2OC(F)(F)F)c1 ZINC000921034141 664535697 /nfs/dbraw/zinc/53/56/97/664535697.db2.gz ZWICYMDTSMMLKM-UHFFFAOYSA-N 1 0 375.372 2.525 20 0 GFADRO CC[N@H+]1C[C@H](NC(=O)N2CCCC[C@@H]2c2ncc(Br)cn2)[C@@H](C)C1 ZINC000921406068 664547406 /nfs/dbraw/zinc/54/74/06/664547406.db2.gz BYDFNEMJAHIIHV-AEGPPILISA-N 1 0 396.333 2.816 20 0 GFADRO O=C(NC1CCN(c2cccs2)CC1)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000921409042 664547505 /nfs/dbraw/zinc/54/75/05/664547505.db2.gz OJTJRHACASEVAG-CVEARBPZSA-N 1 0 380.583 2.596 20 0 GFADRO C[NH+](C)CC[C@H](NS(=O)(=O)c1c(Cl)ccc(F)c1F)c1cccnc1 ZINC000921479672 664549993 /nfs/dbraw/zinc/54/99/93/664549993.db2.gz PFHXUGXCFGOWHP-AWEZNQCLSA-N 1 0 389.855 2.985 20 0 GFADRO Cn1ccc(-c2nc(C[NH2+]CC3(N4CCSCC4)CCCC3)cs2)n1 ZINC000921524722 664551997 /nfs/dbraw/zinc/55/19/97/664551997.db2.gz PPQYCSUTLKGMTG-UHFFFAOYSA-N 1 0 377.583 2.995 20 0 GFADRO CCn1c(Br)c(Br)nc1CN[C@@H]1CCC[N@H+](C)C1 ZINC000921581903 664555329 /nfs/dbraw/zinc/55/53/29/664555329.db2.gz RNFUEULIZCVRIT-SECBINFHSA-N 1 0 380.128 2.612 20 0 GFADRO C[NH+](C)Cc1ccc(S(=O)(=O)NC[C@@H]2CCC[C@H](C(F)(F)F)O2)cc1 ZINC000921586442 664555944 /nfs/dbraw/zinc/55/59/44/664555944.db2.gz LVJQPJOETBKTAP-DZGCQCFKSA-N 1 0 380.432 2.527 20 0 GFADRO O=C(NCC[NH2+][C@@H]1CC[C@H]2COCC[C@@H]2C1)c1cccc(Br)c1 ZINC000921739008 664565879 /nfs/dbraw/zinc/56/58/79/664565879.db2.gz LJRXERUXVVVQCO-UKPHBRMFSA-N 1 0 381.314 2.974 20 0 GFADRO Cc1cc(C[NH2+]C[C@@H](O)C2CCOCC2)c(C)cc1I ZINC000921760997 664566788 /nfs/dbraw/zinc/56/67/88/664566788.db2.gz LSUVACDKXDZDNW-MRXNPFEDSA-N 1 0 389.277 2.785 20 0 GFADRO CC[NH+](CC)CCNC(=O)c1cccc(NCc2nc(Br)c[nH]2)c1 ZINC000921872236 664574338 /nfs/dbraw/zinc/57/43/38/664574338.db2.gz OYQAUIRNULOZJL-UHFFFAOYSA-N 1 0 394.317 2.856 20 0 GFADRO C[C@@H](NC(=O)N1CCC[C@@H]1c1ncc(Br)cn1)C1=CC[N@H+](C)CC1 ZINC000921881414 664574836 /nfs/dbraw/zinc/57/48/36/664574836.db2.gz PYGRRUUINXKEBT-IUODEOHRSA-N 1 0 394.317 2.736 20 0 GFADRO CCn1c(C[NH2+]CCC[C@H](C)CO)nc(Br)c1Br ZINC000921941089 664577584 /nfs/dbraw/zinc/57/75/84/664577584.db2.gz YRNKQTIGUIANKO-VIFPVBQESA-N 1 0 383.128 2.926 20 0 GFADRO CCn1c(Br)c(Br)nc1C[NH2+]CCc1cnccn1 ZINC000921966325 664579342 /nfs/dbraw/zinc/57/93/42/664579342.db2.gz INFYTRHOYDNUHR-UHFFFAOYSA-N 1 0 389.095 2.550 20 0 GFADRO O=C(CCC(F)(F)F)N1CCC[C@@H]([NH2+]Cc2nc(Br)c[nH]2)C1 ZINC000922128964 664587067 /nfs/dbraw/zinc/58/70/67/664587067.db2.gz LNKXYHBKJYBOBG-SECBINFHSA-N 1 0 383.212 2.595 20 0 GFADRO CC[N@H+](CCNC(=O)N[C@@H]([C@@H]1CCOC1)C(F)(F)F)CCC(F)(F)F ZINC000922188074 664589712 /nfs/dbraw/zinc/58/97/12/664589712.db2.gz NUQUJVXIXVMYQT-MNOVXSKESA-N 1 0 379.345 2.527 20 0 GFADRO CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NCc1ncc(Br)cc1F)C2 ZINC000922389648 664598579 /nfs/dbraw/zinc/59/85/79/664598579.db2.gz IWNZNCHJSVRWEB-MXASKKJJSA-N 1 0 386.309 2.553 20 0 GFADRO COc1ccc(OC(F)F)c(C[NH2+]CC2CCC(S(C)(=O)=O)CC2)c1 ZINC000922419815 664600767 /nfs/dbraw/zinc/60/07/67/664600767.db2.gz QHUOHKYUTGFHGS-UHFFFAOYSA-N 1 0 377.453 2.990 20 0 GFADRO CN1C[C@H](CC[NH2+]Cc2c(F)ccc(I)c2F)CC1=O ZINC000922486252 664603473 /nfs/dbraw/zinc/60/34/73/664603473.db2.gz HNMNBIVJNNISPJ-SECBINFHSA-N 1 0 394.203 2.527 20 0 GFADRO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N1CCC[C@H]1c1ncc(Br)cn1 ZINC000922532196 664606226 /nfs/dbraw/zinc/60/62/26/664606226.db2.gz FQUOGLUXVFUAPP-OCCSQVGLSA-N 1 0 384.322 2.814 20 0 GFADRO CCO[C@H](CNCc1c[nH]nc1-c1ccc(Br)s1)C[NH+](C)C ZINC000922755319 664613456 /nfs/dbraw/zinc/61/34/56/664613456.db2.gz BFMBLXPRGONQHQ-GFCCVEGCSA-N 1 0 387.347 2.957 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH2+]CC[C@@H]1CNC(=O)C1 ZINC000922783074 664614489 /nfs/dbraw/zinc/61/44/89/664614489.db2.gz ZBOAMCTWZMWAJO-AWEZNQCLSA-N 1 0 391.313 2.867 20 0 GFADRO COc1cc(C(=O)N2CCC([NH2+]C3CCOCC3)CC2)ccc1Br ZINC000922893725 664617820 /nfs/dbraw/zinc/61/78/20/664617820.db2.gz LTIYUSIPNAPSST-UHFFFAOYSA-N 1 0 397.313 2.831 20 0 GFADRO Cn1cc(C[NH2+]C[C@@H]2CC(C)(C)OC2(C)C)c(I)n1 ZINC000922949268 664619643 /nfs/dbraw/zinc/61/96/43/664619643.db2.gz VZYPYSRJTPMCCS-NSHDSACASA-N 1 0 377.270 2.708 20 0 GFADRO Cn1ncc(I)c1C[NH2+]C[C@]1(c2ccccc2)CCCO1 ZINC000922964265 664620092 /nfs/dbraw/zinc/62/00/92/664620092.db2.gz QXZRTALGDYQOCA-INIZCTEOSA-N 1 0 397.260 2.820 20 0 GFADRO Cn1nccc1[C@@H](O)C[NH2+]Cc1cc(Cl)ccc1I ZINC000922970415 664620199 /nfs/dbraw/zinc/62/01/99/664620199.db2.gz NKBMYOCFKPWGIN-ZDUSSCGKSA-N 1 0 391.640 2.501 20 0 GFADRO O[C@@H]1C[C@H]([NH2+]CC2=Cc3cc(Br)ccc3OC2)C12CCOCC2 ZINC000923020160 664621376 /nfs/dbraw/zinc/62/13/76/664621376.db2.gz LTXRHGSLBRWMKZ-DLBZAZTESA-N 1 0 380.282 2.745 20 0 GFADRO COC(=O)c1cc(Br)c(CN2CC[C@@]3(CCC[NH2+]3)C2)cc1OC ZINC000923380603 664629290 /nfs/dbraw/zinc/62/92/90/664629290.db2.gz PYBZTLNWFCWDJI-KRWDZBQOSA-N 1 0 383.286 2.572 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)C[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923454243 664630909 /nfs/dbraw/zinc/63/09/09/664630909.db2.gz FZFVTGGCOPTAKP-OAHLLOKOSA-N 1 0 396.329 2.526 20 0 GFADRO C[C@H]1CN(Cc2nc(Cc3cccc(Br)c3)no2)CC[C@@H]1C[NH3+] ZINC000923496918 664631334 /nfs/dbraw/zinc/63/13/34/664631334.db2.gz KHQVWGGENKUMBL-GXTWGEPZSA-N 1 0 379.302 2.840 20 0 GFADRO Cn1cc(CN2C[C@@H](C[C@H]3COCC[NH2+]3)c3ccccc32)c(Br)n1 ZINC000923541345 664633339 /nfs/dbraw/zinc/63/33/39/664633339.db2.gz RSYFZJQUOXWMBY-HIFRSBDPSA-N 1 0 391.313 2.665 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(S(=O)(=O)c3cscc3C(F)F)C2)C1 ZINC000923652769 664635147 /nfs/dbraw/zinc/63/51/47/664635147.db2.gz NTJYZJHGMJARMN-WZRBSPASSA-N 1 0 380.482 2.593 20 0 GFADRO C[C@H]1CN(S(=O)(=O)c2cc(Br)sc2Cl)CC[C@H]1C[NH3+] ZINC000923701393 664636332 /nfs/dbraw/zinc/63/63/32/664636332.db2.gz HJVXTPJIYMJNSP-YUMQZZPRSA-N 1 0 387.752 2.769 20 0 GFADRO C[C@@H]1CN(S(=O)(=O)c2oc3ccccc3c2Br)CC[C@@H]1C[NH3+] ZINC000923702429 664636477 /nfs/dbraw/zinc/63/64/77/664636477.db2.gz OSQJUGRQEXIWBZ-GHMZBOCLSA-N 1 0 387.299 2.801 20 0 GFADRO Cc1ccsc1S(=O)(=O)N1C[C@H](C[C@H]2COCC[NH2+]2)c2ccccc21 ZINC000923743142 664637561 /nfs/dbraw/zinc/63/75/61/664637561.db2.gz HFTKYPMGTNMKBY-GJZGRUSLSA-N 1 0 378.519 2.728 20 0 GFADRO C[NH+](C)C1(C)CCC(NC(=O)NCC2(n3cc(Br)cn3)CC2)CC1 ZINC000923902666 664639655 /nfs/dbraw/zinc/63/96/55/664639655.db2.gz PHZVWANTTKJMLK-UHFFFAOYSA-N 1 0 398.349 2.697 20 0 GFADRO O=C(NCc1ccc(C(F)(F)F)s1)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000923971440 664642465 /nfs/dbraw/zinc/64/24/65/664642465.db2.gz GJGATDYZHQHWMK-LBPRGKRZSA-N 1 0 377.432 2.819 20 0 GFADRO C[C@H]([NH2+][C@@H](C)C1CCN(S(C)(=O)=O)CC1)c1ccccc1OC(F)F ZINC000924599342 664658790 /nfs/dbraw/zinc/65/87/90/664658790.db2.gz GFHLZFFBBSAKHS-STQMWFEESA-N 1 0 376.469 2.999 20 0 GFADRO C[C@@H]([NH2+]Cc1cc(Br)ccc1F)C1CCN(S(C)(=O)=O)CC1 ZINC000924613609 664658962 /nfs/dbraw/zinc/65/89/62/664658962.db2.gz OAKJRKPOTFQWOS-LLVKDONJSA-N 1 0 393.322 2.738 20 0 GFADRO C[C@H]([NH2+]Cc1ccc(N2CCOCC2)nc1)c1cccc(Br)n1 ZINC000924618901 664658965 /nfs/dbraw/zinc/65/89/65/664658965.db2.gz QHMCIZBJHCHKDU-ZDUSSCGKSA-N 1 0 377.286 2.927 20 0 GFADRO CNS(=O)(=O)Cc1ccc(C[NH2+][C@@H]2CCCc3c(Cl)ccnc32)cc1 ZINC000924737873 664660519 /nfs/dbraw/zinc/66/05/19/664660519.db2.gz PFHWCWGEZWQYDY-QGZVFWFLSA-N 1 0 379.913 2.951 20 0 GFADRO CSC[C@@H]1NC(=O)N(C[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)C1=O ZINC000924740972 664660681 /nfs/dbraw/zinc/66/06/81/664660681.db2.gz HDEDKLXNSJHBSY-BYCMXARLSA-N 1 0 385.892 2.755 20 0 GFADRO C[C@@H]([NH2+][C@H](C)C1(Br)CC1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000924748359 664660821 /nfs/dbraw/zinc/66/08/21/664660821.db2.gz QVPMNHBJPMTXIK-VXGBXAGGSA-N 1 0 375.332 2.904 20 0 GFADRO CCN(CC)S(=O)(=O)c1ccc(CC[NH2+][C@H]2CCOC[C@H]2C(C)C)s1 ZINC000924948130 664664317 /nfs/dbraw/zinc/66/43/17/664664317.db2.gz UTCNIUSWXJRTOF-IRXDYDNUSA-N 1 0 388.599 2.972 20 0 GFADRO O=C(N[C@@H]1CCC[N@@H+]2CCSC[C@H]12)N1CCC(Cc2nccs2)CC1 ZINC000925172288 664668058 /nfs/dbraw/zinc/66/80/58/664668058.db2.gz SETBAPIAPKZLNO-HZPDHXFCSA-N 1 0 380.583 2.687 20 0 GFADRO C[C@@H]1[C@H](NC(=O)N2CCCC[C@H]2c2ncc(Br)cn2)CC[N@@H+]1C ZINC000925348629 664670670 /nfs/dbraw/zinc/67/06/70/664670670.db2.gz QDGFPIGHCZCYQZ-BNOWGMLFSA-N 1 0 382.306 2.568 20 0 GFADRO C[C@H]([NH2+][C@@H](C)C1CCN(S(C)(=O)=O)CC1)[C@H](O)c1c(F)cccc1Cl ZINC000925485647 664672642 /nfs/dbraw/zinc/67/26/42/664672642.db2.gz OQFWUCFJMCDSSE-PRXAMGSTSA-N 1 0 392.924 2.551 20 0 GFADRO COC1(OC)CC[C@H]1[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000925566569 664673103 /nfs/dbraw/zinc/67/31/03/664673103.db2.gz JEKLIXSGVGVHCJ-MRXNPFEDSA-N 1 0 385.302 2.527 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CCN[C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000925598839 664673377 /nfs/dbraw/zinc/67/33/77/664673377.db2.gz MSYXIGGHJASBEM-QHEVRDBASA-N 1 0 378.314 2.672 20 0 GFADRO C[C@H]([NH3+])[C@@H](NC[C@H](O)COc1ccccc1Br)c1ccccc1 ZINC000925585030 664673447 /nfs/dbraw/zinc/67/34/47/664673447.db2.gz RKLGFUUEMVHVQD-DHSIGJKJSA-N 1 0 379.298 2.867 20 0 GFADRO [NH3+][C@@H]1C[C@H]2COC[C@@H](C1)[C@H]2NCC(F)(F)c1ccc(Br)cc1 ZINC000925720030 664674107 /nfs/dbraw/zinc/67/41/07/664674107.db2.gz DIFIXZOBAIJBDQ-AGCIHXOGSA-N 1 0 375.257 2.883 20 0 GFADRO CC[C@H](NC[C@@H]1C[NH2+]CCC1(F)F)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000925776543 664674543 /nfs/dbraw/zinc/67/45/43/664674543.db2.gz LIEFZBMAMXNQSV-JSGCOSHPSA-N 1 0 395.903 2.534 20 0 GFADRO Cc1cc(OCCC[C@@H](C)[NH2+]CC[C@H]2CNCCS2(=O)=O)ccc1Cl ZINC000925789169 664674733 /nfs/dbraw/zinc/67/47/33/664674733.db2.gz PVGKRVAAJQPZBN-WBVHZDCISA-N 1 0 388.961 2.562 20 0 GFADRO O=S1(=O)CCNC[C@@H]1CC[NH2+][C@@H]1CCCOc2c(Cl)c(Cl)ccc21 ZINC000925794798 664674890 /nfs/dbraw/zinc/67/48/90/664674890.db2.gz MOYAQYJPTPTFDN-SMDDNHRTSA-N 1 0 393.336 2.573 20 0 GFADRO O=C(Nc1ccc(F)cc1Br)N[C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000925953561 664678070 /nfs/dbraw/zinc/67/80/70/664678070.db2.gz QEOLNRMIAPHDPV-LBPRGKRZSA-N 1 0 386.265 2.868 20 0 GFADRO Brc1cnc2c(c1)[C@H]([NH2+]C[C@@H]1COC3(CCOCC3)O1)CCC2 ZINC000925978376 664678663 /nfs/dbraw/zinc/67/86/63/664678663.db2.gz XLTPFWMRXWXOAU-CZUORRHYSA-N 1 0 383.286 2.733 20 0 GFADRO COc1ccc(Br)c(NC(=O)N2CCC3(CO[C@@H](C[NH3+])C3)CC2)c1 ZINC000926001536 664678886 /nfs/dbraw/zinc/67/88/86/664678886.db2.gz RYRCMCUHBYTRAW-CYBMUJFWSA-N 1 0 398.301 2.819 20 0 GFADRO [NH3+][C@]1(CO)CCCN(C(=O)Nc2ccc(Cl)cc2OCC(F)(F)F)C1 ZINC000926040440 664679823 /nfs/dbraw/zinc/67/98/23/664679823.db2.gz XDYANAOGAPNEJD-CQSZACIVSA-N 1 0 381.782 2.599 20 0 GFADRO [NH3+][C@@]1(CO)CCCN(C(=O)Nc2cc(Br)cc(C(F)(F)F)c2)C1 ZINC000926049627 664680024 /nfs/dbraw/zinc/68/00/24/664680024.db2.gz PYVCXUBPNHCYQZ-ZDUSSCGKSA-N 1 0 396.207 2.785 20 0 GFADRO COc1cc(I)ccc1NC(=O)N1CC[C@H](CC[NH3+])C1 ZINC000926134179 664682515 /nfs/dbraw/zinc/68/25/15/664682515.db2.gz RYGQLKUAKWHOPV-JTQLQIEISA-N 1 0 389.237 2.502 20 0 GFADRO CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NC(=O)c1snc(Cl)c1Cl)C2 ZINC000926156875 664683222 /nfs/dbraw/zinc/68/32/22/664683222.db2.gz SGQUXTXAPQGKJB-YGDJUROISA-N 1 0 378.325 2.659 20 0 GFADRO CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)c1c(F)cccc1Br)C2 ZINC000926166129 664683402 /nfs/dbraw/zinc/68/34/02/664683402.db2.gz HBAUKDMTDNJXOA-DEICHXMPSA-N 1 0 399.304 2.798 20 0 GFADRO Cc1ccc([C@@H](NC[C@@]2(O)CC[N@@H+](C)C2)c2cncc(Br)c2)cc1 ZINC000926174605 664683931 /nfs/dbraw/zinc/68/39/31/664683931.db2.gz SOYHEQKMZQVDRI-MOPGFXCFSA-N 1 0 390.325 2.898 20 0 GFADRO CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)c1ccc(Br)c(F)c1)C2 ZINC000926177323 664684101 /nfs/dbraw/zinc/68/41/01/664684101.db2.gz UXTSKFUVSGBFPC-CBZIJGRNSA-N 1 0 399.304 2.798 20 0 GFADRO Cc1cc(N2CC[C@H]([NH2+][C@H](C)C[C@@H]3CCC(=O)N3)C2=O)ccc1Br ZINC000926185348 664684310 /nfs/dbraw/zinc/68/43/10/664684310.db2.gz WUOPOMIKRBBKEY-WWGRRREGSA-N 1 0 394.313 2.510 20 0 GFADRO COCCO[C@@H]1COCC[C@H]1[NH2+][C@H]1CCCc2ncc(Br)cc21 ZINC000926217272 664684806 /nfs/dbraw/zinc/68/48/06/664684806.db2.gz RHTXBGLELCZXDQ-GVDBMIGSSA-N 1 0 385.302 2.632 20 0 GFADRO OC[C@@H](C[NH2+][C@@H]1CCOC12CCOCC2)Cc1ccccc1Br ZINC000926283142 664686233 /nfs/dbraw/zinc/68/62/33/664686233.db2.gz FXDNEWUGLQQRCY-RHSMWYFYSA-N 1 0 384.314 2.528 20 0 GFADRO COc1cc(Br)cc(CNC(=O)N2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)c1 ZINC000926291664 664686782 /nfs/dbraw/zinc/68/67/82/664686782.db2.gz DAPHTNLSBGQNEJ-BBRMVZONSA-N 1 0 382.302 2.693 20 0 GFADRO CCOC1CC(C[NH2+][C@@H](C)c2cccc(Br)n2)(N2CCOCC2)C1 ZINC000926301077 664687374 /nfs/dbraw/zinc/68/73/74/664687374.db2.gz WYMHTSPZYNRBMB-SYJJWHGVSA-N 1 0 398.345 2.765 20 0 GFADRO Cc1ccc(C[C@H](CO)C[NH2+][C@H]2CCOC23CCOCC3)cc1Br ZINC000926539520 664691758 /nfs/dbraw/zinc/69/17/58/664691758.db2.gz WKSAPJSQRSFXDZ-WMZOPIPTSA-N 1 0 398.341 2.836 20 0 GFADRO COc1ccc(C[C@@H](CO)C[NH2+][C@@H](C)c2nonc2C)cc1Br ZINC000926536703 664691768 /nfs/dbraw/zinc/69/17/68/664691768.db2.gz BCFTUBKCXIBDJZ-GXFFZTMASA-N 1 0 384.274 2.651 20 0 GFADRO C[C@@H]1C[C@@H]([NH2+]C[C@H](CO)Cc2ccc(F)c(Br)c2)c2ncnn21 ZINC000926543899 664692147 /nfs/dbraw/zinc/69/21/47/664692147.db2.gz MWOHRQXQOVKGBH-IXPVHAAZSA-N 1 0 383.265 2.626 20 0 GFADRO C[C@@H]([NH2+]Cc1cc(Cl)cc(I)c1)c1cnnn1C ZINC000926612133 664694023 /nfs/dbraw/zinc/69/40/23/664694023.db2.gz YPEURGRMVARWLI-MRVPVSSYSA-N 1 0 376.629 2.924 20 0 GFADRO Cc1cc(Br)c(C[NH2+][C@H](C)C2CCN(S(C)(=O)=O)CC2)s1 ZINC000926704470 664695621 /nfs/dbraw/zinc/69/56/21/664695621.db2.gz SKQQXJDWWNRGGD-LLVKDONJSA-N 1 0 395.388 2.969 20 0 GFADRO CCO[C@H](CNC(=O)N1CCc2sc(Br)cc2C1)C[NH+](C)C ZINC000926837430 664697565 /nfs/dbraw/zinc/69/75/65/664697565.db2.gz NZNMVLBXKAHELV-GFCCVEGCSA-N 1 0 390.347 2.545 20 0 GFADRO CCO[C@H](CNC(=O)N(C)[C@@H](CO)c1cccc(Cl)c1Cl)C[NH+](C)C ZINC000926848763 664697847 /nfs/dbraw/zinc/69/78/47/664697847.db2.gz VUJFRNAOIYMWQL-DOMZBBRYSA-N 1 0 392.327 2.635 20 0 GFADRO COc1cc(Br)cc(C[NH2+][C@@H]2CCCC[C@H]2S(C)(=O)=O)c1 ZINC000926904207 664698853 /nfs/dbraw/zinc/69/88/53/664698853.db2.gz WPSBIXPCPZDACQ-HUUCEWRRSA-N 1 0 376.316 2.903 20 0 GFADRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+]C[C@@H]2CCC[C@H](C(F)(F)F)O2)cc1 ZINC000926917744 664699057 /nfs/dbraw/zinc/69/90/57/664699057.db2.gz XEOFVELUXWXNOX-CORIIIEPSA-N 1 0 380.432 2.745 20 0 GFADRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+]C[C@@H]2CCC[C@@H](C(F)(F)F)O2)cc1 ZINC000926917747 664699088 /nfs/dbraw/zinc/69/90/88/664699088.db2.gz XEOFVELUXWXNOX-WHOFXGATSA-N 1 0 380.432 2.745 20 0 GFADRO CNS(=O)(=O)c1cccc([C@H](C)[NH2+]C[C@@H]2CCC[C@@H](C(F)(F)F)O2)c1 ZINC000926918325 664699151 /nfs/dbraw/zinc/69/91/51/664699151.db2.gz ZTBYGLFVAYACQD-WHOFXGATSA-N 1 0 380.432 2.745 20 0 GFADRO C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+]CC(C)(C)CS(C)(=O)=O ZINC000926955802 664699518 /nfs/dbraw/zinc/69/95/18/664699518.db2.gz OVKSASZGOTXOHI-CABCVRRESA-N 1 0 376.563 2.682 20 0 GFADRO C[C@@H]([NH2+]CC1(n2cc(Br)cn2)CC1)c1ccc2c(c1)OCC(=O)N2 ZINC000927007026 664702035 /nfs/dbraw/zinc/70/20/35/664702035.db2.gz XZGVTOZSTOKTSD-LLVKDONJSA-N 1 0 391.269 2.816 20 0 GFADRO CCC[C@H](O)CC[NH2+][C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000927016309 664702243 /nfs/dbraw/zinc/70/22/43/664702243.db2.gz ILCYHDRZDIQQEZ-JSGCOSHPSA-N 1 0 376.316 2.808 20 0 GFADRO CC(C)(C)C[C@@H]([NH2+]C[C@H](O)CS(C)(=O)=O)c1ccc(Br)cc1 ZINC000927024954 664702428 /nfs/dbraw/zinc/70/24/28/664702428.db2.gz MZKVURVAOCTRCL-LSDHHAIUSA-N 1 0 392.359 2.922 20 0 GFADRO Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)[NH2+]C[C@@H](O)CS(C)(=O)=O ZINC000927035317 664702750 /nfs/dbraw/zinc/70/27/50/664702750.db2.gz VELQTHYPCRSBIY-QMTHXVAHSA-N 1 0 388.942 2.828 20 0 GFADRO C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CCOC1CCOCC1 ZINC000927078605 664703091 /nfs/dbraw/zinc/70/30/91/664703091.db2.gz MHVBXIGCKQXXFQ-ZDUSSCGKSA-N 1 0 385.302 2.951 20 0 GFADRO CCOc1ccc(N2C(=O)N[C@@H](C[NH+]3CCCCC3)C2=O)cc1Br ZINC000927215289 664705870 /nfs/dbraw/zinc/70/58/70/664705870.db2.gz CQSBJIHINZZKDO-AWEZNQCLSA-N 1 0 396.285 2.759 20 0 GFADRO C[C@H]1CCN(C(=O)c2ccc(Cn3cc(Br)cn3)s2)[C@@H](C)[C@H]1[NH3+] ZINC000927769640 664715652 /nfs/dbraw/zinc/71/56/52/664715652.db2.gz MGZIUNDRQMKLNL-PGUXBMHVSA-N 1 0 397.342 2.953 20 0 GFADRO CC(C)c1cc(Br)ccc1NC(=O)C(=O)NCC[C@@H]1C[NH2+]C[C@H]1C ZINC000927822949 664716336 /nfs/dbraw/zinc/71/63/36/664716336.db2.gz CZYQBKTTXCAQHB-CHWSQXEVSA-N 1 0 396.329 2.873 20 0 GFADRO CC1(C)CN(C(=O)C(=O)Nc2ccc(-c3ccc(Cl)s3)nc2)C[C@@H]1[NH3+] ZINC000927851978 664716737 /nfs/dbraw/zinc/71/67/37/664716737.db2.gz GECQTNFKNIQGAS-ZDUSSCGKSA-N 1 0 378.885 2.598 20 0 GFADRO Cc1oc(-c2ccsc2)nc1CC(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000928089950 664722467 /nfs/dbraw/zinc/72/24/67/664722467.db2.gz GRDNDEMKVNNMNR-GDBMZVCRSA-N 1 0 377.535 2.950 20 0 GFADRO Cc1nc(CC(F)(F)F)sc1CC(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000928103137 664723314 /nfs/dbraw/zinc/72/33/14/664723314.db2.gz PWUSVWIHCVFTRA-NEPJUHHUSA-N 1 0 393.500 2.795 20 0 GFADRO Cc1ccc(-n2cnnc2SCC(=O)N[C@H]2CC[N@H+](C)[C@H]2C)cc1Cl ZINC000928454598 664732715 /nfs/dbraw/zinc/73/27/15/664732715.db2.gz RMEBVTSMLAZGNE-WFASDCNBSA-N 1 0 379.917 2.530 20 0 GFADRO C[N@@H+]1CC[C@H]1CNC(=O)c1ccc(NC(=O)c2ccc(Br)o2)cc1 ZINC000928567431 664735116 /nfs/dbraw/zinc/73/51/16/664735116.db2.gz WMAZOKRDYXWGAV-ZDUSSCGKSA-N 1 0 392.253 2.728 20 0 GFADRO CC[NH+]1CCN(CCC(=O)Nc2nc3c(s2)CCc2sccc2-3)CC1 ZINC000928680656 664737028 /nfs/dbraw/zinc/73/70/28/664737028.db2.gz BZSVYVOGAIGCEZ-UHFFFAOYSA-N 1 0 376.551 2.936 20 0 GFADRO Cc1[nH]c(=O)c(Br)cc1C(=O)N[C@@H](CC[NH+](C)C)c1cccnc1 ZINC000928831446 664740505 /nfs/dbraw/zinc/74/05/05/664740505.db2.gz NDTJFXBJUYMUCB-HNNXBMFYSA-N 1 0 393.285 2.676 20 0 GFADRO C[N@H+](CC(=O)N1CCCC[C@@H]1c1ncc(Br)cn1)[C@H]1CCSC1 ZINC000928945366 664743998 /nfs/dbraw/zinc/74/39/98/664743998.db2.gz MRLIORCNJNGYGT-UONOGXRCSA-N 1 0 399.358 2.730 20 0 GFADRO C[N@@H+]1CCCC[C@@H]1CCOC(=O)c1sccc1S(=O)(=O)N1CCCC1 ZINC000928986868 664744560 /nfs/dbraw/zinc/74/45/60/664744560.db2.gz RZOSTFRPKMMLHR-CQSZACIVSA-N 1 0 386.539 2.564 20 0 GFADRO Cc1ccc(NC(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)c(Br)c1 ZINC000929204847 664748314 /nfs/dbraw/zinc/74/83/14/664748314.db2.gz XUHHUNGTHKDNPJ-JKSUJKDBSA-N 1 0 382.302 2.820 20 0 GFADRO CN(C(=O)Nc1cc2c(cc1Br)OCCO2)[C@@H]1CCC[N@H+](C)C1 ZINC000929308428 664749757 /nfs/dbraw/zinc/74/97/57/664749757.db2.gz HJYMDEXRFJRESU-LLVKDONJSA-N 1 0 384.274 2.778 20 0 GFADRO Cc1c(Br)ccc(F)c1C(=O)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000929522753 664753706 /nfs/dbraw/zinc/75/37/06/664753706.db2.gz ABACVILOBPOIKZ-UHFFFAOYSA-N 1 0 398.320 2.750 20 0 GFADRO O=C(Nc1cc(C(F)(F)F)c[nH]c1=O)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000929902073 664759411 /nfs/dbraw/zinc/75/94/11/664759411.db2.gz QKSAPQSXCFDAAH-PWSUYJOCSA-N 1 0 376.404 2.507 20 0 GFADRO CCO[C@@H](CNC(=O)Nc1cccc(Br)c1COC)C[NH+](C)C ZINC000930087864 664762622 /nfs/dbraw/zinc/76/26/22/664762622.db2.gz XUTQYQOLHUOPQH-LBPRGKRZSA-N 1 0 388.306 2.684 20 0 GFADRO C[N@@H+]1C[C@H]2CCN(C(=O)Nc3ccc(F)cc3I)[C@@H]2C1 ZINC000930271507 664765815 /nfs/dbraw/zinc/76/58/15/664765815.db2.gz VYNKLLSZEZJQNS-NOZJJQNGSA-N 1 0 389.212 2.598 20 0 GFADRO COC[C@]1(CO)CC[N@H+](Cc2cc(C)c(I)cc2C)C1 ZINC000930658161 664775392 /nfs/dbraw/zinc/77/53/92/664775392.db2.gz LVQFZYRWEQQMIV-MRXNPFEDSA-N 1 0 389.277 2.739 20 0 GFADRO O=C(N[C@H]1CC[N@@H+](C2CC2)C1)c1cc(Br)cnc1Br ZINC000930675447 664775635 /nfs/dbraw/zinc/77/56/35/664775635.db2.gz LBFAYUVBERRUMV-VIFPVBQESA-N 1 0 389.091 2.573 20 0 GFADRO CCC(CC)[NH2+]CCNC(=O)Nc1ccc(S(C)(=O)=O)c(C(F)F)c1 ZINC000930725147 664777077 /nfs/dbraw/zinc/77/70/77/664777077.db2.gz LLIXWSPMYZSVPJ-UHFFFAOYSA-N 1 0 377.457 2.927 20 0 GFADRO COCCOc1ccc(Br)cc1NC(=O)N1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC000930752407 664777568 /nfs/dbraw/zinc/77/75/68/664777568.db2.gz UDRBWKUKQQYRMK-SWLSCSKDSA-N 1 0 398.301 2.642 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CN1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931306499 664791075 /nfs/dbraw/zinc/79/10/75/664791075.db2.gz HFIUJTIKVMSVHT-ROUUACIJSA-N 1 0 380.330 2.970 20 0 GFADRO CN(Cc1cc(Br)cs1)C(=O)CN1CCC(C)([NH+](C)C)CC1 ZINC000931352772 664792350 /nfs/dbraw/zinc/79/23/50/664792350.db2.gz FVRBABSEJHHKBQ-UHFFFAOYSA-N 1 0 388.375 2.885 20 0 GFADRO C[NH+](C)CC1(O)CCN(Cc2ncc(-c3ccc(Br)cc3)o2)CC1 ZINC000931485503 664796264 /nfs/dbraw/zinc/79/62/64/664796264.db2.gz LAUJISWBDIVXPU-UHFFFAOYSA-N 1 0 394.313 2.993 20 0 GFADRO C[NH+](C)CC1(O)CCN(Cc2ncc(-c3ccccc3Br)o2)CC1 ZINC000931486370 664796314 /nfs/dbraw/zinc/79/63/14/664796314.db2.gz YTRFGTQLGYGNCQ-UHFFFAOYSA-N 1 0 394.313 2.993 20 0 GFADRO Nc1cc[nH+]c2c1CN(CCS(=O)(=O)c1cc(Cl)ccc1Cl)CC2 ZINC000931509392 664796908 /nfs/dbraw/zinc/79/69/08/664796908.db2.gz ONEGEUPFKPIUEE-UHFFFAOYSA-N 1 0 386.304 2.803 20 0 GFADRO CCOC(=O)c1nc(NC(=O)N2CCC[N@H+](C)CC2)sc1C(F)(F)F ZINC000931594462 664800326 /nfs/dbraw/zinc/80/03/26/664800326.db2.gz RRFOHLRLIKJMFQ-UHFFFAOYSA-N 1 0 380.392 2.508 20 0 GFADRO CCOC(=O)c1nc(NC(=O)NCC[C@H](C)[NH+](C)C)sc1C(F)(F)F ZINC000931596335 664800457 /nfs/dbraw/zinc/80/04/57/664800457.db2.gz WDWYGTMSIXODPD-QMMMGPOBSA-N 1 0 382.408 2.800 20 0 GFADRO CC[NH+](CC)C[C@H]1CCN(C(=O)Nc2nc3cc(Br)ccn3n2)C1 ZINC000931647305 664801557 /nfs/dbraw/zinc/80/15/57/664801557.db2.gz CSNVVEIFTBPMLK-GFCCVEGCSA-N 1 0 395.305 2.687 20 0 GFADRO CC[NH+]1CCC(n2nccc2NC(=O)c2cc(=O)[nH]cc2Br)CC1 ZINC000931677631 664802618 /nfs/dbraw/zinc/80/26/18/664802618.db2.gz VGZXOVVGWJCEON-UHFFFAOYSA-N 1 0 394.273 2.655 20 0 GFADRO O=C(Nc1nn(CC(F)(F)F)cc1Cl)N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000931798196 664805208 /nfs/dbraw/zinc/80/52/08/664805208.db2.gz AJOSPCSMRJEPMC-WDEREUQCSA-N 1 0 397.854 2.800 20 0 GFADRO Cc1nc([C@@H]2CC[N@H+](CCC(=O)Nc3ccc(Br)cc3)C2)no1 ZINC000931939541 664807583 /nfs/dbraw/zinc/80/75/83/664807583.db2.gz CBNDXDZRNVQMOJ-GFCCVEGCSA-N 1 0 379.258 2.959 20 0 GFADRO CN(CC1CC[NH+](C)CC1)C(=O)C[C@H]1C(=O)Nc2ccc(Br)cc21 ZINC000931960796 664808015 /nfs/dbraw/zinc/80/80/15/664808015.db2.gz JSDXLXZCBGNPEH-OAHLLOKOSA-N 1 0 394.313 2.675 20 0 GFADRO CN(Cc1ccc(Cl)s1)C(=O)C[N@@H+]1CCC[C@@H]([C@]2(C)COC(=O)N2)C1 ZINC000932030014 664809256 /nfs/dbraw/zinc/80/92/56/664809256.db2.gz GLUXGLRZAWMWER-PXAZEXFGSA-N 1 0 385.917 2.570 20 0 GFADRO C[N@@H+]1CCC[C@H](NC(=O)c2cnn(Cc3ccccc3)c2Br)C1 ZINC000932070473 664809655 /nfs/dbraw/zinc/80/96/55/664809655.db2.gz MOWWKPXOYASXTH-AWEZNQCLSA-N 1 0 377.286 2.518 20 0 GFADRO COc1cc(Br)ccc1NC(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000932177987 664812129 /nfs/dbraw/zinc/81/21/29/664812129.db2.gz IAXVIRWXLINJBW-CABCVRRESA-N 1 0 398.301 2.521 20 0 GFADRO Cn1cc(Br)c(C(=O)NCCCCC[NH+]2CCCCC2)cc1=O ZINC000932523869 664824746 /nfs/dbraw/zinc/82/47/46/664824746.db2.gz ZNPPLINQRKDMIW-UHFFFAOYSA-N 1 0 384.318 2.534 20 0 GFADRO CCc1ccc(Br)cc1C(=O)NC[C@H](C)N1CC[NH+](CC)CC1 ZINC000932703938 664832248 /nfs/dbraw/zinc/83/22/48/664832248.db2.gz QXPILLOSTWLNCO-AWEZNQCLSA-N 1 0 382.346 2.767 20 0 GFADRO COc1cc(Br)cc(C(=O)N(C)CC[N@H+](C)C2CCN(C)CC2)c1 ZINC000932713638 664832663 /nfs/dbraw/zinc/83/26/63/664832663.db2.gz QBGDVKUSNIQMRE-UHFFFAOYSA-N 1 0 398.345 2.556 20 0 GFADRO O[C@H](CCC1(O)CCC1)C[N@@H+]1CCC[C@](O)(c2ccc(Br)cc2)C1 ZINC000932816785 664840141 /nfs/dbraw/zinc/84/01/41/664840141.db2.gz ZJFGADKYBHSPGL-IEBWSBKVSA-N 1 0 398.341 2.789 20 0 GFADRO COc1ncc(NC(=O)N2CCC23CC[NH+](C)CC3)c(C)c1Br ZINC000932964004 664845909 /nfs/dbraw/zinc/84/59/09/664845909.db2.gz WMOFGTFXFKLSLR-UHFFFAOYSA-N 1 0 383.290 2.863 20 0 GFADRO CC[NH+](CC)CC[C@H](CO)NC(=O)Nc1c(F)ccc(Br)c1F ZINC000933297056 664856276 /nfs/dbraw/zinc/85/62/76/664856276.db2.gz AGMKZGQJNWQUOS-SNVBAGLBSA-N 1 0 394.260 2.942 20 0 GFADRO CCO[C@H](CNC(=O)Nc1c(F)ccc(Br)c1F)C[NH+](C)C ZINC000933303763 664857532 /nfs/dbraw/zinc/85/75/32/664857532.db2.gz ZTPLAGGLYNCQFO-SECBINFHSA-N 1 0 380.233 2.816 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2nc(Br)c3ccccn32)[C@H](C)C1 ZINC000933439979 664864454 /nfs/dbraw/zinc/86/44/54/664864454.db2.gz WRXLWGWWAYTMQL-CHWSQXEVSA-N 1 0 379.302 2.899 20 0 GFADRO C[C@@H](C[NH+]1CCC(C(C)(C)CNC(=O)OC(C)(C)C)CC1)S(C)(=O)=O ZINC000933481663 664866287 /nfs/dbraw/zinc/86/62/87/664866287.db2.gz KKVRWSLQGQSYMG-AWEZNQCLSA-N 1 0 376.563 2.682 20 0 GFADRO C[C@H]1C[C@H](NC(=O)c2cnn(Cc3ccccc3)c2Br)CC[N@@H+]1C ZINC000933489309 664866602 /nfs/dbraw/zinc/86/66/02/664866602.db2.gz AHMVHOMZPKYUQI-DZGCQCFKSA-N 1 0 391.313 2.906 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)c2cc3ccc(Br)cc3c(=O)o2)CC[N@@H+]1C ZINC000933492302 664866929 /nfs/dbraw/zinc/86/69/29/664866929.db2.gz SUQFFTNMWVWSRO-ZWNOBZJWSA-N 1 0 379.254 2.768 20 0 GFADRO C[N@@H+]1C[C@@H]2CN(CC(=O)Nc3c(F)cc(F)cc3Br)C[C@]2(C)C1 ZINC000933741294 664876381 /nfs/dbraw/zinc/87/63/81/664876381.db2.gz YUMKQFCOBKIIJS-HWPZZCPQSA-N 1 0 388.256 2.549 20 0 GFADRO C[C@@H]1CC[N@H+](CCNC(=O)c2cc(Br)cnc2Br)C1 ZINC000933930412 664882063 /nfs/dbraw/zinc/88/20/63/664882063.db2.gz UUFFVMPFKCXFHV-SECBINFHSA-N 1 0 391.107 2.678 20 0 GFADRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)c2nc(C)ccc2Br)C1 ZINC000934001972 664886520 /nfs/dbraw/zinc/88/65/20/664886520.db2.gz OBBYGUMAMGSAQD-CQSZACIVSA-N 1 0 384.318 2.725 20 0 GFADRO CCc1ccc(Br)cc1C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000934043265 664888672 /nfs/dbraw/zinc/88/86/72/664888672.db2.gz IQDCOYBCHLDIHL-UHFFFAOYSA-N 1 0 381.314 2.948 20 0 GFADRO Cn1c2cc(Br)ccc2nc1C[N@@H+]1CCCCCNC(=O)CC1 ZINC000934154404 664890852 /nfs/dbraw/zinc/89/08/52/664890852.db2.gz CPWSEHAUSGIKSN-UHFFFAOYSA-N 1 0 379.302 2.828 20 0 GFADRO C[C@H](Cc1cccnc1)[NH2+]CCS(=O)(=O)c1cccc(Br)c1 ZINC000934237046 664892889 /nfs/dbraw/zinc/89/28/89/664892889.db2.gz UKDNRSVIIXFZMQ-CYBMUJFWSA-N 1 0 383.311 2.839 20 0 GFADRO C[C@H](Cc1cccnc1)[NH2+]C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000934229877 664892997 /nfs/dbraw/zinc/89/29/97/664892997.db2.gz FKWJXUQWXYBIOO-WBMJQRKESA-N 1 0 383.261 2.944 20 0 GFADRO COCCN(C(C)=O)c1nc(CN2CC[C@@H](Cc3nccs3)C2)cs1 ZINC000934332527 664899674 /nfs/dbraw/zinc/89/96/74/664899674.db2.gz KPTZPESKDCFGPC-AWEZNQCLSA-N 1 0 380.539 2.664 20 0 GFADRO O=S(=O)(CC[NH2+][C@H]1CCOC12CCCC2)c1cccc(Br)c1 ZINC000934397369 664905320 /nfs/dbraw/zinc/90/53/20/664905320.db2.gz XIKJJGMJLIFJNB-HNNXBMFYSA-N 1 0 388.327 2.914 20 0 GFADRO C[NH+](C)C[C@@H]1CN(C(=O)c2ccc(Br)[nH]c2=O)c2ccccc2O1 ZINC000934734553 664916178 /nfs/dbraw/zinc/91/61/78/664916178.db2.gz GHBUAWPZEMHKLH-LLVKDONJSA-N 1 0 392.253 2.519 20 0 GFADRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2nc(Br)c3ccccn32)C1 ZINC000934950860 664931429 /nfs/dbraw/zinc/93/14/29/664931429.db2.gz MTOORGJBXZEZSJ-STQMWFEESA-N 1 0 377.286 2.653 20 0 GFADRO C[C@@H](NC(=O)C[C@H]1C(=O)Nc2c1cccc2Br)C1=CC[N@H+](C)CC1 ZINC000935314081 664952922 /nfs/dbraw/zinc/95/29/22/664952922.db2.gz UIKZAKLSFWNFJB-BXUZGUMPSA-N 1 0 392.297 2.642 20 0 GFADRO C[C@H](NC(=O)c1cc(=O)[nH]cc1Br)[C@H](c1ccccc1)[NH+](C)C ZINC000935438284 664961582 /nfs/dbraw/zinc/96/15/82/664961582.db2.gz KEGBMAHISUELPI-MEDUHNTESA-N 1 0 378.270 2.971 20 0 GFADRO C[NH+]1CCC(OCC(=O)N[C@H]2CCN(c3ccc(Cl)cc3Cl)C2)CC1 ZINC000935605865 664972868 /nfs/dbraw/zinc/97/28/68/664972868.db2.gz GGQHPYRNAGREEQ-AWEZNQCLSA-N 1 0 386.323 2.799 20 0 GFADRO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(C(=O)c3csc(Cl)c3)C[C@H]2C)CC[N@@H+]1C ZINC000949000972 665009680 /nfs/dbraw/zinc/00/96/80/665009680.db2.gz CTOZOWTWXMGFED-FAAHXZRKSA-N 1 0 383.945 2.709 20 0 GFADRO CC[C@@H]1[C@@H](NC(=O)c2ccsc2Cl)CCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000984869373 665019002 /nfs/dbraw/zinc/01/90/02/665019002.db2.gz RVQWNWLIMSENLG-RJZRQDKASA-N 1 0 383.945 2.851 20 0 GFADRO C[C@@H]1[C@H](C(=O)NC[C@@H]2CN(C(=O)c3cscc3Cl)C[C@H]2C)CC[N@@H+]1C ZINC000994084870 665022690 /nfs/dbraw/zinc/02/26/90/665022690.db2.gz NWVZNNWQAQWGKB-AAVRWANBSA-N 1 0 383.945 2.566 20 0 GFADRO C[NH+](C)C1(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2csc(Cl)c2)C3)CCC1 ZINC000996387625 665030711 /nfs/dbraw/zinc/03/07/11/665030711.db2.gz GQQCKJOKXKPGNP-RDBSUJKOSA-N 1 0 381.929 2.748 20 0 GFADRO C[NH+](C)C1(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ccsc2Cl)C3)CCC1 ZINC000996391303 665031806 /nfs/dbraw/zinc/03/18/06/665031806.db2.gz XUERDCLQMBJAOV-XBFCOCLRSA-N 1 0 381.929 2.748 20 0 GFADRO C[C@@H]1[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2csc(Cl)c2)C3)CC[N@@H+]1C ZINC001002614547 665055696 /nfs/dbraw/zinc/05/56/96/665055696.db2.gz KOUZPPIVDPFWDS-GZENYHORSA-N 1 0 381.929 2.603 20 0 GFADRO C[C@@H]1CCC[N@@H+]1CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1sccc1Cl)C2 ZINC001003327859 665059622 /nfs/dbraw/zinc/05/96/22/665059622.db2.gz YMYXOKGCNNOMLN-GBOPCIDUSA-N 1 0 381.929 2.748 20 0 GFADRO C[C@H]1CCC[N@@H+]1CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1sccc1Cl)C2 ZINC001003327862 665059665 /nfs/dbraw/zinc/05/96/65/665059665.db2.gz YMYXOKGCNNOMLN-MXYBEHONSA-N 1 0 381.929 2.748 20 0 GFADRO O=C([C@@H]1C[C@H]2CC[C@@H]1O2)N1CC[C@H]([NH2+]Cc2cccc(Br)c2)C1 ZINC001019413544 665073115 /nfs/dbraw/zinc/07/31/15/665073115.db2.gz CWVBDMAQLIFJTN-HZMVEIRTSA-N 1 0 379.298 2.707 20 0 GFADRO C[N@H+](CCCO)C1CCN(CCC(=O)Nc2ccccc2Br)CC1 ZINC000115545835 677395328 /nfs/dbraw/zinc/39/53/28/677395328.db2.gz DAFKMXHQXJHGPT-UHFFFAOYSA-N 1 0 398.345 2.556 20 0 GFADRO C[C@@H](O)C[N@@H+]1CCN(Cc2nc(-c3cccc(Br)c3)c[nH]2)C[C@@H]1C ZINC000120575004 677396959 /nfs/dbraw/zinc/39/69/59/677396959.db2.gz HFMURAWTUQBDQI-UONOGXRCSA-N 1 0 393.329 2.726 20 0 GFADRO C[C@H](NS(=O)(=O)c1cccnc1Cl)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000386366330 677407532 /nfs/dbraw/zinc/40/75/32/677407532.db2.gz RAIMLEKMBZIARO-HOCLYGCPSA-N 1 0 379.913 2.924 20 0 GFADRO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1cc([N+](=O)[O-])ncc1Br ZINC000391386049 677409061 /nfs/dbraw/zinc/40/90/61/677409061.db2.gz CGOXFHUIHDTHNI-NSHDSACASA-N 1 0 385.262 2.747 20 0 GFADRO CC(C)[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccc(Cl)s2)[C@@H](n2ccnn2)C1 ZINC001070006279 677675891 /nfs/dbraw/zinc/67/58/91/677675891.db2.gz NNNFOLYEPBTYHB-SYQHCUMBSA-N 1 0 379.917 2.547 20 0 GFADRO C[C@@H]1C[N@H+](Cc2cnn(C)c2)C[C@H]1NC(=O)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC001080323375 677676258 /nfs/dbraw/zinc/67/62/58/677676258.db2.gz MWNZWIWNVTWQDZ-NMFUWQPSSA-N 1 0 378.929 2.875 20 0 GFADRO FC(F)(c1ccc(-c2cc(Cl)ncn2)cc1)N1CC[C@H]2[NH2+]CCO[C@@H]2C1 ZINC001164389021 718822456 /nfs/dbraw/zinc/82/24/56/718822456.db2.gz GHTXJLLXFOPJRN-GDBMZVCRSA-N 1 0 380.826 2.909 20 0 GFADRO COCc1nc2scc(-c3ccccc3)c2c(N2CCN3CC[NH2+]C[C@@H]3C2)n1 ZINC001164402329 718841542 /nfs/dbraw/zinc/84/15/42/718841542.db2.gz GFRQDGPTKSOYFH-MRXNPFEDSA-N 1 0 395.532 2.599 20 0 GFADRO FC(F)(Oc1ccccc1-c1cccc(Cl)n1)N1CCN2CC[NH2+]C[C@H]2C1 ZINC001164399717 718842607 /nfs/dbraw/zinc/84/26/07/718842607.db2.gz FEWMZJGOCSGVRT-AWEZNQCLSA-N 1 0 394.853 2.921 20 0 GFADRO FC(F)(c1cc(Cl)nc(-c2ccncc2)n1)N1CCO[C@H]2C[NH2+]CC[C@H]2C1 ZINC001164407786 718864018 /nfs/dbraw/zinc/86/40/18/718864018.db2.gz JXNNTSXSXYTZEW-KBPBESRZSA-N 1 0 395.841 2.552 20 0 GFADRO FC(F)(N1Cc2ncnn2C2(CC[NH2+]CC2)C1)C1(c2ccc(Cl)nc2)CC1 ZINC001164416094 718885797 /nfs/dbraw/zinc/88/57/97/718885797.db2.gz RPWUYRIKSJBRKY-UHFFFAOYSA-N 1 0 394.857 2.545 20 0 GFADRO FC(F)(c1cc(Cl)ncc1Cl)N1CCCO[C@]2(C[NH2+]CCOC2)C1 ZINC001164420525 718913093 /nfs/dbraw/zinc/91/30/93/718913093.db2.gz KIGVHNRGTSXAIK-CQSZACIVSA-N 1 0 382.238 2.519 20 0 GFADRO CCNC(=O)c1cc(Cl)nc(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC001164625152 719114168 /nfs/dbraw/zinc/11/41/68/719114168.db2.gz GWXHJRPIFDXJDB-AEFFLSMTSA-N 1 0 399.926 2.981 20 0 GFADRO COC(=O)c1nc(Cl)ccc1C(F)(F)N1C[C@H](CF)[C@H](C2([NH3+])CC2)C1 ZINC001164629815 719118234 /nfs/dbraw/zinc/11/82/34/719118234.db2.gz TWOGJIYXWRCRQA-GXSJLCMTSA-N 1 0 377.794 2.580 20 0 GFADRO COC(=O)c1ccc(C(F)(F)N2C[C@H](C3([NH3+])CC3)[C@H](CF)C2)c(Cl)n1 ZINC001164622394 719118354 /nfs/dbraw/zinc/11/83/54/719118354.db2.gz BYZCHKSGIZYLIY-KOLCDFICSA-N 1 0 377.794 2.580 20 0 GFADRO C[N@@H+]1CCO[C@H]2CN(c3ccc(-c4ccc(C5OCCCO5)cc4)cn3)C[C@@H]21 ZINC001164673844 719421801 /nfs/dbraw/zinc/42/18/01/719421801.db2.gz UYIUGCXVQUWBQY-PMACEKPBSA-N 1 0 381.476 2.703 20 0 GFADRO CCCN(CCC)c1cncc(-n2nc(CN(C)C(C)C)c3c2C[NH2+]CC3)n1 ZINC001164681306 719631386 /nfs/dbraw/zinc/63/13/86/719631386.db2.gz GPHRPPLDBHTBIV-UHFFFAOYSA-N 1 0 385.560 2.775 20 0 GFADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3cccnn3)CC2)c2ccccc21 ZINC001164679938 719655574 /nfs/dbraw/zinc/65/55/74/719655574.db2.gz AOXDXVXVXFOUAU-GOSISDBHSA-N 1 0 393.535 2.570 20 0 GFADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1ccc(-c3ccc(Cl)cc3)nn1)CC2 ZINC001164684123 719702894 /nfs/dbraw/zinc/70/28/94/719702894.db2.gz NAUYAGRGAOPYRR-UHFFFAOYSA-N 1 0 399.926 2.978 20 0 GFADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1nc(C)nc3cc(Cl)ccc31)CC2 ZINC001164685696 719721582 /nfs/dbraw/zinc/72/15/82/719721582.db2.gz NDQCEGDCQZGRQG-UHFFFAOYSA-N 1 0 387.915 2.772 20 0 GFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ncc(C)c(NCC3CC3)n1)C2 ZINC001164806403 720066184 /nfs/dbraw/zinc/06/61/84/720066184.db2.gz CBXUKAHJECFEQX-SIKLNZKXSA-N 1 0 385.556 2.792 20 0 GFADRO CCOC(=O)/C=C\c1cccnc1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@H]2COC ZINC001164815796 720075945 /nfs/dbraw/zinc/07/59/45/720075945.db2.gz ZQHZXJYTLUEACO-ZAIPYTAPSA-N 1 0 399.535 2.843 20 0 GFADRO CCOC(=O)c1cnc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COC)c(C)c1 ZINC001164814842 720093547 /nfs/dbraw/zinc/09/35/47/720093547.db2.gz XGJRAJHISOMOFX-KNQAVFIVSA-N 1 0 387.524 2.751 20 0 GFADRO CCOc1cnc(N2CCC3(C[C@@H](COC)[N@H+](Cc4ccccn4)C3)CC2)nc1 ZINC001164718111 720109578 /nfs/dbraw/zinc/10/95/78/720109578.db2.gz RVCRCAZORBWDLS-IBGZPJMESA-N 1 0 397.523 2.778 20 0 GFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ncnc3cc(OC)ccc31)C2 ZINC001164814350 720116318 /nfs/dbraw/zinc/11/63/18/720116318.db2.gz RXUNYUHSHMMUKQ-JTSKRJEESA-N 1 0 382.508 2.823 20 0 GFADRO CCOC(=O)c1cc(C)cnc1N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COC ZINC001164807055 720118151 /nfs/dbraw/zinc/11/81/51/720118151.db2.gz AWRJLFXWXQPCHW-XMSQKQJNSA-N 1 0 387.524 2.751 20 0 GFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ncc3cccc(OC)c3n1)C2 ZINC001164816214 720122235 /nfs/dbraw/zinc/12/22/35/720122235.db2.gz YLSZICLVBQIWEC-GCJKJVERSA-N 1 0 382.508 2.823 20 0 GFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cc(-c3ccccn3)ncn1)C2 ZINC001164819894 720174270 /nfs/dbraw/zinc/17/42/70/720174270.db2.gz YWGQKAYKTSDXDR-PGRDOPGGSA-N 1 0 379.508 2.723 20 0 GFADRO CC(C)COc1cccc(N2CCCn3c(=O)cc(C[N@H+](C)C(C)C)nc3C2)n1 ZINC001164814615 720231805 /nfs/dbraw/zinc/23/18/05/720231805.db2.gz ZHGFZWIIVIHPOG-UHFFFAOYSA-N 1 0 399.539 2.924 20 0 GFADRO Cc1csc2cnc(N3CCCn4c(=O)cc(C[N@@H+](C)C(C)C)nc4C3)nc12 ZINC001164812231 720232445 /nfs/dbraw/zinc/23/24/45/720232445.db2.gz DKDUMUKYGKNHLG-UHFFFAOYSA-N 1 0 398.536 2.807 20 0 GFADRO Cc1csc2ncnc(N3CC[C@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)c12 ZINC001164817491 720288761 /nfs/dbraw/zinc/28/87/61/720288761.db2.gz DBTKKHIBGFQNOU-SJORKVTESA-N 1 0 399.564 2.911 20 0 GFADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2ncnc3ccsc32)CC1 ZINC001164823912 720290284 /nfs/dbraw/zinc/29/02/84/720290284.db2.gz QRHHFZQKJDFOKQ-IAGOWNOFSA-N 1 0 385.537 2.603 20 0 GFADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2cnc3ccccc3n2)CC1 ZINC001164819241 720295788 /nfs/dbraw/zinc/29/57/88/720295788.db2.gz CYMXFTUUNKOXBQ-PMACEKPBSA-N 1 0 379.508 2.541 20 0 GFADRO Cc1nc(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)ccc1Cl ZINC001164819615 720312036 /nfs/dbraw/zinc/31/20/36/720312036.db2.gz FBVIQGPAQJOQIK-ZWKOTPCHSA-N 1 0 376.932 2.955 20 0 GFADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2cnc3ccc(F)cc3n2)CC1 ZINC001164823164 720313599 /nfs/dbraw/zinc/31/35/99/720313599.db2.gz PBFIKXXJRVVJBX-WOJBJXKFSA-N 1 0 397.498 2.680 20 0 GFADRO COc1ccc(Cl)c(N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164828471 720319761 /nfs/dbraw/zinc/31/97/61/720319761.db2.gz JSEFIEBHASVCSU-IRXDYDNUSA-N 1 0 392.931 2.655 20 0 GFADRO COC(=O)c1cccc2nc(N3CC[C@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)ncc21 ZINC001164726576 720361903 /nfs/dbraw/zinc/36/19/03/720361903.db2.gz PSTKSFAAPKIGNZ-PMACEKPBSA-N 1 0 389.459 2.665 20 0 GFADRO COC(=O)CSc1cccc(N2CC[C@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)n1 ZINC001164731992 720422978 /nfs/dbraw/zinc/42/29/78/720422978.db2.gz MTILVGZMUFNQIK-DLBZAZTESA-N 1 0 384.505 2.595 20 0 GFADRO CC(C)[N@H+]1[C@@H]2CCN(c3ncnc4c3ccn4C)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164832818 720518240 /nfs/dbraw/zinc/51/82/40/720518240.db2.gz BLMXYNJHEWLPCI-ZIFCJYIRSA-N 1 0 379.512 2.543 20 0 GFADRO Cc1nc(C(F)(F)N2Cc3nccn3C[C@@H](C[NH+](C)C)C2)nc(Cl)c1C ZINC001164726042 720518548 /nfs/dbraw/zinc/51/85/48/720518548.db2.gz AJIPLNJAZLFDJH-CYBMUJFWSA-N 1 0 384.862 2.686 20 0 GFADRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(C(F)(F)COc2cccc(Cl)n2)C1 ZINC001164726188 720518822 /nfs/dbraw/zinc/51/88/22/720518822.db2.gz BHRARDYDSYYAME-CYBMUJFWSA-N 1 0 385.846 2.597 20 0 GFADRO Cc1cc(C(F)(F)N2CCc3ncc(C[NH+]4CCCC4)n3CC2)nc(Cl)n1 ZINC001164734311 720558734 /nfs/dbraw/zinc/55/87/34/720558734.db2.gz YWNAOVVBSDWPBC-UHFFFAOYSA-N 1 0 396.873 2.838 20 0 GFADRO CCN(CC)c1cncc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)n1 ZINC001164840829 720573257 /nfs/dbraw/zinc/57/32/57/720573257.db2.gz UDPRIGDJKVLOLF-SLFFLAALSA-N 1 0 397.571 2.897 20 0 GFADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3ccc(Cl)c[n+]3[O-])CC[C@@H]21 ZINC001164839678 720590342 /nfs/dbraw/zinc/59/03/42/720590342.db2.gz OABKBPWTOLKWHT-SZMVWBNQSA-N 1 0 375.904 2.548 20 0 GFADRO CN(C)c1cc(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)ncn1 ZINC001164840475 720656813 /nfs/dbraw/zinc/65/68/13/720656813.db2.gz MSHZLSVEKDAPJU-IBGZPJMESA-N 1 0 381.524 2.803 20 0 GFADRO COC(=O)c1cnc(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)nc1 ZINC001164837082 720671470 /nfs/dbraw/zinc/67/14/70/720671470.db2.gz BKZVJEPUHRTJBV-IBGZPJMESA-N 1 0 396.491 2.523 20 0 GFADRO COc1ccc2nc(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)cc(C)c2c1 ZINC001164737555 720696865 /nfs/dbraw/zinc/69/68/65/720696865.db2.gz GCRILHPTSMHLPV-FUHWJXTLSA-N 1 0 391.475 2.684 20 0 GFADRO CC(C)c1ccc2ncnc(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)c2c1 ZINC001164738974 720767219 /nfs/dbraw/zinc/76/72/19/720767219.db2.gz HEEBFTSFQOEMLB-ZWKOTPCHSA-N 1 0 390.491 2.885 20 0 GFADRO c1cc2c(ccnc2N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)o1 ZINC001164742297 720809244 /nfs/dbraw/zinc/80/92/44/720809244.db2.gz CUBISSFFHHOBLA-JENIJYKNSA-N 1 0 378.480 2.799 20 0 GFADRO Cc1c[nH]c2nc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)ccc12 ZINC001164741259 720820900 /nfs/dbraw/zinc/82/09/00/720820900.db2.gz MTFCSZLSLUNGBV-CMKODMSKSA-N 1 0 391.523 2.842 20 0 GFADRO Fc1cnc(Cl)cc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164739570 720825964 /nfs/dbraw/zinc/82/59/64/720825964.db2.gz HYFAWHYVZDNJBO-HLLBOEOZSA-N 1 0 390.894 2.845 20 0 GFADRO CC(C)Oc1cccc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164741517 720833367 /nfs/dbraw/zinc/83/33/67/720833367.db2.gz FIHALMQIOOLZNR-HSALFYBXSA-N 1 0 396.539 2.840 20 0 GFADRO c1ncn(C[C@H]2C[C@H]3CN(c4nccc5cnccc54)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164745151 720837573 /nfs/dbraw/zinc/83/75/73/720837573.db2.gz LVVYOQARFYFXRD-QKNQBKEWSA-N 1 0 389.507 2.601 20 0 GFADRO COCC[N@@H+]1CCO[C@@H]2CN(c3cc(C)c4cc(OC)ccc4n3)CC[C@@H]2C1 ZINC001164858442 720855494 /nfs/dbraw/zinc/85/54/94/720855494.db2.gz SCWCKLZIYYWPHB-DYESRHJHSA-N 1 0 385.508 2.725 20 0 GFADRO c1cncc(COC[C@@H]2C[N@H+](CC3CC3)C[C@@]23CCN(c2cnccn2)C3)c1 ZINC001164755802 720866595 /nfs/dbraw/zinc/86/65/95/720866595.db2.gz YXLNJXYIRZOBGK-RBBKRZOGSA-N 1 0 379.508 2.627 20 0 GFADRO Nc1ccc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc1 ZINC001164749904 720875201 /nfs/dbraw/zinc/87/52/01/720875201.db2.gz ICEYJUKQTVPLFQ-NFBKMPQASA-N 1 0 393.535 2.814 20 0 GFADRO CCc1nc(Cl)c(N2CC[C@@H]3C[N@H+](CCOC)CCO[C@@H]3C2)c(Cl)n1 ZINC001164852816 720879957 /nfs/dbraw/zinc/87/99/57/720879957.db2.gz AAARSAGQVMCKNB-CHWSQXEVSA-N 1 0 389.327 2.519 20 0 GFADRO Cc1ccc(C[NH+]2CCC3(CCN(c4ccc(C(N)=O)nn4)CC3)CC2)cc1 ZINC001164759482 721042643 /nfs/dbraw/zinc/04/26/43/721042643.db2.gz NBWFKVWRIDIPOE-UHFFFAOYSA-N 1 0 379.508 2.767 20 0 GFADRO Clc1nc2ccoc2c(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164868420 721057491 /nfs/dbraw/zinc/05/74/91/721057491.db2.gz OJOZESPMWFXKRA-HUUCEWRRSA-N 1 0 385.855 2.751 20 0 GFADRO F[C@H](Oc1ccnc(Cl)c1)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164866885 721068689 /nfs/dbraw/zinc/06/86/89/721068689.db2.gz GPCGXSYSUGSZAG-WDYCEAGBSA-N 1 0 392.862 2.737 20 0 GFADRO Clc1cnc(Cl)c(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164866344 721080401 /nfs/dbraw/zinc/08/04/01/721080401.db2.gz SNLRMCYCNTXVII-UONOGXRCSA-N 1 0 380.279 2.658 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN([C@H](F)Oc4ccnc(Cl)c4)C[C@H]3C2)cn1 ZINC001164772695 721100320 /nfs/dbraw/zinc/10/03/20/721100320.db2.gz VTDLHDYHEVZYSF-RKVPGOIHSA-N 1 0 379.867 2.554 20 0 GFADRO Fc1ccc2nc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)ncc2c1 ZINC001164865347 721117904 /nfs/dbraw/zinc/11/79/04/721117904.db2.gz KICCWTUVHBMSKI-OALUTQOASA-N 1 0 379.439 2.644 20 0 GFADRO CCc1cc2c(ncnc2N2C[C@@H]3C[N@@H+](Cc4cnn(C)c4)CC[C@@H]3C2)s1 ZINC001164763375 721126154 /nfs/dbraw/zinc/12/61/54/721126154.db2.gz FIMHJDSKPGOHGK-CVEARBPZSA-N 1 0 382.537 2.946 20 0 GFADRO Cc1nnc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)c2ccccc12 ZINC001164879068 721139034 /nfs/dbraw/zinc/13/90/34/721139034.db2.gz RPAFZASWVLGJMV-RTBURBONSA-N 1 0 375.476 2.813 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4ncc5c(Cl)cccc5n4)C[C@H]3C2)cn1 ZINC001164763440 721145518 /nfs/dbraw/zinc/14/55/18/721145518.db2.gz FXBVFKMFCZCCCN-HZPDHXFCSA-N 1 0 382.899 2.975 20 0 GFADRO Cc1cc(Cl)cc(N2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)n1 ZINC001164886819 721384180 /nfs/dbraw/zinc/38/41/80/721384180.db2.gz GMBZWYKYXITSEW-UYAOXDASSA-N 1 0 378.948 2.809 20 0 GFADRO Cc1cccc2c1ncnc2N1CC[C@]2(C1)CCC[C@@H](C[NH+]1CCN(C)CC1)O2 ZINC001164890952 721395593 /nfs/dbraw/zinc/39/55/93/721395593.db2.gz PPSZIVQFTGBSGM-CVDCTZTESA-N 1 0 395.551 2.704 20 0 GFADRO Cc1cc(N2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)ncc1Cl ZINC001164886144 721397522 /nfs/dbraw/zinc/39/75/22/721397522.db2.gz DMYFIRATANWCBJ-YLJYHZDGSA-N 1 0 378.948 2.809 20 0 GFADRO COc1cc(Cl)ncc1N1CC[C@@]2(C1)CCC[C@@H](C[NH+]1CCN(C)CC1)O2 ZINC001164888846 721401259 /nfs/dbraw/zinc/40/12/59/721401259.db2.gz OYWHKQCLQOJOJK-OXJNMPFZSA-N 1 0 394.947 2.509 20 0 GFADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4ncnc5cccc(F)c54)C3)O2)CC1 ZINC001164884684 721416266 /nfs/dbraw/zinc/41/62/66/721416266.db2.gz FJXVCVDXJHXOMB-HTAPYJJXSA-N 1 0 399.514 2.534 20 0 GFADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4nncc5ccc(F)cc54)C3)O2)CC1 ZINC001164883986 721416409 /nfs/dbraw/zinc/41/64/09/721416409.db2.gz CUBLXPZYAOOMAJ-SIKLNZKXSA-N 1 0 399.514 2.534 20 0 GFADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncc(Cl)cn1)CC2 ZINC001164788690 721448245 /nfs/dbraw/zinc/44/82/45/721448245.db2.gz SQCGDWHNKZEBGD-SFHVURJKSA-N 1 0 394.947 2.864 20 0 GFADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncccc1OC)CC2 ZINC001164785069 721453309 /nfs/dbraw/zinc/45/33/09/721453309.db2.gz GIBMHITXWYYMIL-IBGZPJMESA-N 1 0 389.540 2.824 20 0 GFADRO CC(C)(c1ccnc(Cl)c1)[N@@H+]1C[C@H]2COC[C@]2(CC(=O)NCC2CC2)C1 ZINC001164899662 721485027 /nfs/dbraw/zinc/48/50/27/721485027.db2.gz ZSLIPZMYGRKEHM-JXFKEZNVSA-N 1 0 377.916 2.835 20 0 GFADRO CCOC(=O)c1ccc(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)nn1 ZINC001164791697 721492030 /nfs/dbraw/zinc/49/20/30/721492030.db2.gz DUGYJKWQRJDBMH-UHFFFAOYSA-N 1 0 395.507 2.929 20 0 GFADRO COC(=O)c1cc(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)ncn1 ZINC001164791415 721494539 /nfs/dbraw/zinc/49/45/39/721494539.db2.gz COBLHOCOCBPNGU-UHFFFAOYSA-N 1 0 381.480 2.539 20 0 GFADRO COc1cnc(SC)nc1N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164896279 721514569 /nfs/dbraw/zinc/51/45/69/721514569.db2.gz ALCPTSUINASQLA-HOCLYGCPSA-N 1 0 390.484 2.688 20 0 GFADRO Cc1cc2c(ncnc2N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)[nH]1 ZINC001164800630 721543685 /nfs/dbraw/zinc/54/36/85/721543685.db2.gz CTUZCFVBSRMBET-GBESFXJTSA-N 1 0 378.480 2.530 20 0 GFADRO Fc1cccc(O[C@H]2C[C@@H]3CN(c4ncnc5c4ncn5C4CC4)CC[N@@H+]3C2)c1 ZINC001164903485 721555100 /nfs/dbraw/zinc/55/51/00/721555100.db2.gz BMNVJYQYGNQCLO-AEFFLSMTSA-N 1 0 394.454 2.642 20 0 GFADRO Cc1nc2c(c(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@H]4OCCC[C@@H]43)n1)CCC2 ZINC001164798208 721570392 /nfs/dbraw/zinc/57/03/92/721570392.db2.gz AVNZXZDOGGTCHY-ACRUOGEOSA-N 1 0 379.508 2.537 20 0 GFADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2nccc(Oc3ccccc3)n2)CC1 ZINC001165011585 721733567 /nfs/dbraw/zinc/73/35/67/721733567.db2.gz RTPVGGNJVXHYKQ-UHFFFAOYSA-N 1 0 395.507 2.792 20 0 GFADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc(Cl)ncc3C(N)=O)C[C@H]21 ZINC001165018670 721802328 /nfs/dbraw/zinc/80/23/28/721802328.db2.gz BVSBODJPDFWORQ-BMGDILEWSA-N 1 0 399.926 2.966 20 0 GFADRO CCOC(=O)c1cncc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)n1 ZINC001165019758 721810717 /nfs/dbraw/zinc/81/07/17/721810717.db2.gz BQLOIMYSDQAYMH-ILZDJORESA-N 1 0 395.507 2.785 20 0 GFADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc4c(n3)OCC(=O)N4)C[C@@H]21 ZINC001165028275 721811536 /nfs/dbraw/zinc/81/15/36/721811536.db2.gz XDHAMOFQUCOWME-HHXXYDBFSA-N 1 0 393.491 2.544 20 0 GFADRO COc1cccc2nc(Cl)nc(N3CC[C@H]4[C@H]3CCN4CC[NH+](C)C)c21 ZINC001164928300 721866474 /nfs/dbraw/zinc/86/64/74/721866474.db2.gz YDFWAUYRIRSKMF-LSDHHAIUSA-N 1 0 375.904 2.506 20 0 GFADRO C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2C(F)(F)c1cc(Cl)nc2c1CCC2 ZINC001164933990 721890612 /nfs/dbraw/zinc/89/06/12/721890612.db2.gz NVSOZRWIBUECBM-IRXDYDNUSA-N 1 0 384.902 2.983 20 0 GFADRO C[NH+](C)[C@H]1CCCN(c2ccc(S(=O)(=O)Nc3cc(F)ccc3F)cn2)C1 ZINC001165035192 721897269 /nfs/dbraw/zinc/89/72/69/721897269.db2.gz LITJWGQTSVVRJT-AWEZNQCLSA-N 1 0 396.463 2.691 20 0 GFADRO COc1ccc(-c2ccc(N3CCC(C[NH+](C)C)CC3)nn2)c(OC)c1OC ZINC001165041954 721950681 /nfs/dbraw/zinc/95/06/81/721950681.db2.gz DOYYYZOXKVTRHI-UHFFFAOYSA-N 1 0 386.496 2.947 20 0 GFADRO Clc1ncc(N2CCOCC2)c(N2CCCC[C@H]2CC[NH+]2CCCC2)n1 ZINC001165050081 721971008 /nfs/dbraw/zinc/97/10/08/721971008.db2.gz ZWIQRFQGNLITIP-INIZCTEOSA-N 1 0 379.936 2.811 20 0 GFADRO COC(=O)c1ccc2ccnc(N3CC[NH+](CCc4ccccn4)CC3)c2c1 ZINC001165053573 722011331 /nfs/dbraw/zinc/01/13/31/722011331.db2.gz KEOCLXYMSOJXER-UHFFFAOYSA-N 1 0 376.460 2.781 20 0 GFADRO O=C(c1ccco1)N1CC[C@H]2CN(c3cccc(OCC[NH+]4CCCC4)n3)C[C@@H]21 ZINC001164961402 722047921 /nfs/dbraw/zinc/04/79/21/722047921.db2.gz ZLFKCBCEACDFIC-ROUUACIJSA-N 1 0 396.491 2.500 20 0 GFADRO CSc1ccc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)nn1 ZINC001164961498 722059831 /nfs/dbraw/zinc/05/98/31/722059831.db2.gz KUWIIIMAHOBLQL-UHFFFAOYSA-N 1 0 385.537 2.713 20 0 GFADRO CC(C)Oc1nccnc1N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164961670 722060915 /nfs/dbraw/zinc/06/09/15/722060915.db2.gz NTZOYCKVRVHGSJ-UHFFFAOYSA-N 1 0 397.523 2.778 20 0 GFADRO O=C(Nc1ccccc1)c1ccnc(N2C[C@@H]3C[N@@H+](CC4CC4)C[C@H](C2)O3)c1 ZINC001164966818 722072227 /nfs/dbraw/zinc/07/22/27/722072227.db2.gz DLVIVJNSIKRHFR-BGYRXZFFSA-N 1 0 378.476 2.633 20 0 GFADRO CCN(c1ccccc1)c1cc(N2C[C@@H]3C[N@@H+](CC4CC4)C[C@H](C2)O3)ncn1 ZINC001164968259 722076879 /nfs/dbraw/zinc/07/68/79/722076879.db2.gz YBKOLAFYVGXXIJ-BGYRXZFFSA-N 1 0 379.508 2.934 20 0 GFADRO Clc1cc(Cl)c(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)nn1 ZINC001164984690 722102399 /nfs/dbraw/zinc/10/23/99/722102399.db2.gz TYZMEFKGFSKBCJ-GDBMZVCRSA-N 1 0 394.306 2.906 20 0 GFADRO Clc1nc2c(c(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)n1)CCC2 ZINC001164979156 722103715 /nfs/dbraw/zinc/10/37/15/722103715.db2.gz HFNSZUMZWMFSDS-QFBILLFUSA-N 1 0 399.926 2.741 20 0 GFADRO Clc1nc2c(c(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)n1)CCC2 ZINC001164979158 722103810 /nfs/dbraw/zinc/10/38/10/722103810.db2.gz HFNSZUMZWMFSDS-VQIMIIECSA-N 1 0 399.926 2.741 20 0 GFADRO c1cncc(C[N@@H+]2CCO[C@H]3CN(c4nccc5cnccc54)CC[C@H]3C2)c1 ZINC001164970989 722128692 /nfs/dbraw/zinc/12/86/92/722128692.db2.gz BAQZGPDKJFCVLO-FPOVZHCZSA-N 1 0 375.476 2.752 20 0 GFADRO CC(C)COc1cncc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164984613 722143814 /nfs/dbraw/zinc/14/38/14/722143814.db2.gz XTBARFHNGNUSML-VQTJNVASSA-N 1 0 397.523 2.634 20 0 GFADRO CC(C)COc1nccnc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164978871 722150069 /nfs/dbraw/zinc/15/00/69/722150069.db2.gz KDZUQQDSLPQACN-UXHICEINSA-N 1 0 397.523 2.634 20 0 GFADRO C[NH+](C)CCOCc1ncn2c1CN([C@H](F)Oc1ccc(Cl)nc1)CCC2 ZINC001165002700 722253384 /nfs/dbraw/zinc/25/33/84/722253384.db2.gz SXXOVEBWZABGHO-SFHVURJKSA-N 1 0 397.882 2.548 20 0 GFADRO C[NH+](C)C1CCN(S(=O)(=O)c2cc(Cl)ccc2Br)CC1 ZINC000429822402 563523954 /nfs/dbraw/zinc/52/39/54/563523954.db2.gz RGDRURBGRWSGAM-UHFFFAOYSA-N 1 0 381.723 2.817 20 0 GFADRO CC[N@H+](CCNC(=O)Nc1nnc(C(F)(F)F)s1)CCC(F)(F)F ZINC000494178931 532713960 /nfs/dbraw/zinc/71/39/60/532713960.db2.gz IQILAWXLTWBNJC-UHFFFAOYSA-N 1 0 379.330 2.953 20 0 GFADRO C[NH+]1CCN(Cc2cccc(NC(=O)[C@H]3CC(=O)Nc4cc(F)ccc43)c2)CC1 ZINC000057054769 209214198 /nfs/dbraw/zinc/21/41/98/209214198.db2.gz AFEKQIXULSEKNN-IBGZPJMESA-N 1 0 396.466 2.638 20 0 GFADRO CCSCCC[NH2+]C1CCN(S(=O)(=O)c2ccc(NC(C)=O)cc2)CC1 ZINC000359998988 209213696 /nfs/dbraw/zinc/21/36/96/209213696.db2.gz MVWYZTYTBZUCFE-UHFFFAOYSA-N 1 0 399.582 2.531 20 0 GFADRO CCS(=O)(=O)c1ccccc1N1CCC([NH2+][C@@H](C)CCn2cccn2)CC1 ZINC000359998337 209210337 /nfs/dbraw/zinc/21/03/37/209210337.db2.gz LSEXNFAJTRFUOB-KRWDZBQOSA-N 1 0 390.553 2.714 20 0 GFADRO O=C(NCc1ccc(-n2ccnc2)nc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000359907090 209201027 /nfs/dbraw/zinc/20/10/27/209201027.db2.gz MTLKBZHLRSRWRG-UHFFFAOYSA-N 1 0 375.476 2.796 20 0 GFADRO CC(C)c1nccn1C[C@H]1CCC[N@@H+]1Cc1cnc(N2CCOCC2)s1 ZINC000359879446 209200448 /nfs/dbraw/zinc/20/04/48/209200448.db2.gz RVEPCCBCECMKEZ-MRXNPFEDSA-N 1 0 375.542 2.964 20 0 GFADRO CC(C)[NH+](CCNC(=O)c1ccc2c(c1)nc1n(c2=O)CCCCC1)C(C)C ZINC000021840643 210396060 /nfs/dbraw/zinc/39/60/60/210396060.db2.gz UDXGMFIOBGAYCD-UHFFFAOYSA-N 1 0 384.524 2.972 20 0 GFADRO C[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2Br)[C@@H]1CC[NH3+] ZINC000405255309 563538757 /nfs/dbraw/zinc/53/87/57/563538757.db2.gz LVZCATUKRWOJFV-GXFFZTMASA-N 1 0 379.295 2.726 20 0 GFADRO CC[NH+](CC)CCN(CCOC)C(=O)Cc1cc(Br)ccc1F ZINC000433776903 563619792 /nfs/dbraw/zinc/61/97/92/563619792.db2.gz YKDUKCIVPZTQHD-UHFFFAOYSA-N 1 0 389.309 2.948 20 0 GFADRO CNC(=O)c1ccc(C[NH2+]Cc2cc3c(c(Br)c2)OCO3)cc1 ZINC000030671832 551128436 /nfs/dbraw/zinc/12/84/36/551128436.db2.gz BXLBLFBXZIQXOD-UHFFFAOYSA-N 1 0 377.238 2.827 20 0 GFADRO C[C@@H](CNS(=O)(=O)c1ccc(Br)cc1)C[NH+]1CCCCC1 ZINC000040446433 551134851 /nfs/dbraw/zinc/13/48/51/551134851.db2.gz BBZHNLFLYMTSKO-ZDUSSCGKSA-N 1 0 375.332 2.849 20 0 GFADRO C[NH+](C)Cc1cccc(CNC(=O)C(=O)Nc2ccc(Br)cc2)c1 ZINC000041860023 551136429 /nfs/dbraw/zinc/13/64/29/551136429.db2.gz RHGPEAYXCBIIMY-UHFFFAOYSA-N 1 0 390.281 2.766 20 0 GFADRO CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)NCC(C)(C)[NH+](C)C ZINC000042158459 551138859 /nfs/dbraw/zinc/13/88/59/551138859.db2.gz RHCQOFSHDIWGCS-HNNXBMFYSA-N 1 0 385.961 2.648 20 0 GFADRO CS(=O)(=O)NCCC[NH2+]Cc1ccc(-c2ccc(Br)cc2)o1 ZINC000044862348 551144912 /nfs/dbraw/zinc/14/49/12/551144912.db2.gz ZHAXSPWVSSUGDC-UHFFFAOYSA-N 1 0 387.299 2.738 20 0 GFADRO CCOC(=O)Cc1csc(NC(=O)NC[C@@H](c2ccsc2)[NH+](C)C)n1 ZINC000045312312 551146674 /nfs/dbraw/zinc/14/66/74/551146674.db2.gz GDOUIOBQWPCKSA-ZDUSSCGKSA-N 1 0 382.511 2.735 20 0 GFADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)NCc2csc(Br)c2)C1 ZINC000048093549 551156127 /nfs/dbraw/zinc/15/61/27/551156127.db2.gz SPHXVKUXEATUSK-CYBMUJFWSA-N 1 0 390.347 2.667 20 0 GFADRO CN1CCC([NH+]2CCC(NC(=O)c3cc(Br)cs3)CC2)CC1 ZINC000050797488 551161477 /nfs/dbraw/zinc/16/14/77/551161477.db2.gz SFGCRFUELBMILM-UHFFFAOYSA-N 1 0 386.359 2.799 20 0 GFADRO C[NH+](C)CCOc1cccc(CNS(=O)(=O)c2ccc(F)cc2Cl)c1 ZINC000055246670 551172301 /nfs/dbraw/zinc/17/23/01/551172301.db2.gz DMSFUDGVKAQHEA-UHFFFAOYSA-N 1 0 386.876 2.898 20 0 GFADRO C[NH+]1CCN(CCCNC(=O)CSCc2ccc(Cl)cc2Cl)CC1 ZINC000056968592 551178858 /nfs/dbraw/zinc/17/88/58/551178858.db2.gz MRCSAIHVWNCOKL-UHFFFAOYSA-N 1 0 390.380 2.980 20 0 GFADRO C[C@H](C(=O)NCCc1cccs1)N1CC[NH+](CCc2cccs2)CC1 ZINC000067458770 551188978 /nfs/dbraw/zinc/18/89/78/551188978.db2.gz RPDMUWZTNLZURB-MRXNPFEDSA-N 1 0 377.579 2.717 20 0 GFADRO CC[NH+](CC)CCN(CCOC)C(=O)c1[nH]nc(C(C)C)c1Br ZINC000068425152 551191994 /nfs/dbraw/zinc/19/19/94/551191994.db2.gz XCOSXHSCKKDUKW-UHFFFAOYSA-N 1 0 389.338 2.726 20 0 GFADRO COc1cc(Br)c(CN2CC[C@H](C[NH+]3CCOCC3)C2)c(OC)c1 ZINC000093664174 551195655 /nfs/dbraw/zinc/19/56/55/551195655.db2.gz UWEKPUZBPURACL-CQSZACIVSA-N 1 0 399.329 2.620 20 0 GFADRO Brc1ccc2c(c1)C=C(C[N@@H+]1CC[C@H](CN3CCOCC3)C1)CO2 ZINC000093665047 551195730 /nfs/dbraw/zinc/19/57/30/551195730.db2.gz SBZSOPLDZDSIET-OAHLLOKOSA-N 1 0 393.325 2.879 20 0 GFADRO CC[N@@H+]1CCCC[C@@H]1C(=O)NCc1cc(OC)c(OC)cc1Br ZINC000104387398 551198458 /nfs/dbraw/zinc/19/84/58/551198458.db2.gz OKTUKBROAFWTNO-CQSZACIVSA-N 1 0 385.302 2.957 20 0 GFADRO CC(C)[C@H](CNC(=O)NCc1ccc(Br)cc1)[NH+]1CCN(C)CC1 ZINC000106525400 551199861 /nfs/dbraw/zinc/19/98/61/551199861.db2.gz AKOAZWZKIQBVOA-KRWDZBQOSA-N 1 0 397.361 2.520 20 0 GFADRO C[C@@H](NC(=O)C[NH+]1CCC(C2OCCO2)CC1)c1ccc(Br)cc1 ZINC000110081889 551202060 /nfs/dbraw/zinc/20/20/60/551202060.db2.gz DZOAAYOTVZEVSA-CYBMUJFWSA-N 1 0 397.313 2.711 20 0 GFADRO CCC[NH+]1CCC(CNS(=O)(=O)c2ccc(C(=O)OC)cc2Cl)CC1 ZINC000110251918 551203423 /nfs/dbraw/zinc/20/34/23/551203423.db2.gz AAUPKIRTZIARIY-UHFFFAOYSA-N 1 0 388.917 2.527 20 0 GFADRO C[C@@H](Oc1ccccc1Br)C(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000112271152 551205658 /nfs/dbraw/zinc/20/56/58/551205658.db2.gz CJAJAYQPUYFTEK-RBSFLKMASA-N 1 0 399.329 2.832 20 0 GFADRO C[C@@H]1C[C@@H](N(C)C(=O)Cc2cccc(I)c2)CC[N@@H+]1C ZINC000119134120 551215224 /nfs/dbraw/zinc/21/52/24/551215224.db2.gz JGKYNXOVQPOSBW-DOMZBBRYSA-N 1 0 386.277 2.775 20 0 GFADRO C[C@@H]1CCC[N@H+](CCNC(=O)Cc2ccccc2I)C1 ZINC000120363464 551220298 /nfs/dbraw/zinc/22/02/98/551220298.db2.gz GRJINBAZUDOLCY-CYBMUJFWSA-N 1 0 386.277 2.682 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(=O)Nc2cc(F)ccc2Br)C1 ZINC000120372087 551220680 /nfs/dbraw/zinc/22/06/80/551220680.db2.gz KAFGFGMZVQBETH-VXGBXAGGSA-N 1 0 386.265 2.516 20 0 GFADRO Cc1cc(S(=O)(=O)NCCC2CC[NH+](C)CC2)ccc1Br ZINC000120962315 551223635 /nfs/dbraw/zinc/22/36/35/551223635.db2.gz VZZAJKVWLDMTQQ-UHFFFAOYSA-N 1 0 375.332 2.768 20 0 GFADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)c2ccc(Br)c(C)c2)CC1 ZINC000121065721 551226317 /nfs/dbraw/zinc/22/63/17/551226317.db2.gz MHLWGUUCSDFGRG-AWEZNQCLSA-N 1 0 382.346 2.761 20 0 GFADRO O=C(Nc1cc(Br)ccc1F)C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000121249678 551230601 /nfs/dbraw/zinc/23/06/01/551230601.db2.gz VPWDUQSPNXLYNY-UHFFFAOYSA-N 1 0 398.276 2.614 20 0 GFADRO C[C@H]1OCC[C@H]1[NH2+]CC(C)(C)S(=O)(=O)c1ccc(Br)cc1 ZINC000121247520 551230808 /nfs/dbraw/zinc/23/08/08/551230808.db2.gz YXVLVTIDJODECV-BXUZGUMPSA-N 1 0 376.316 2.768 20 0 GFADRO CC(C)(Cc1ccc(Br)cc1)[NH2+]C[C@H](O)COC[C@H]1CCCO1 ZINC000121350313 551232572 /nfs/dbraw/zinc/23/25/72/551232572.db2.gz JLXIRRBTLKCRBR-DLBZAZTESA-N 1 0 386.330 2.916 20 0 GFADRO COc1ccc(Cl)c(S(=O)(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000121706652 551240285 /nfs/dbraw/zinc/24/02/85/551240285.db2.gz KQLVZUMNDMYNEI-DYVFJYSZSA-N 1 0 384.929 2.986 20 0 GFADRO Cc1ccc(Br)c(NC(=O)C(=O)NCC[NH+](C(C)C)C(C)C)c1 ZINC000121720160 551241068 /nfs/dbraw/zinc/24/10/68/551241068.db2.gz SLOOHCBELCZOGE-UHFFFAOYSA-N 1 0 384.318 2.931 20 0 GFADRO C[C@H](CNC(=O)C(=O)Nc1cccc(Br)c1)C[NH+]1CCCCC1 ZINC000121892172 551291853 /nfs/dbraw/zinc/29/18/53/551291853.db2.gz ZTTYOJJGLOOORV-CYBMUJFWSA-N 1 0 382.302 2.626 20 0 GFADRO CCN1CC[NH+](C[C@H](C)CNC(=O)CSCc2cccc(Cl)c2)CC1 ZINC000122376545 551297425 /nfs/dbraw/zinc/29/74/25/551297425.db2.gz QCXJSCHWIOLUFM-MRXNPFEDSA-N 1 0 383.989 2.963 20 0 GFADRO CC(C)C[NH+](CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl)CC(C)C ZINC000122708458 551301176 /nfs/dbraw/zinc/30/11/76/551301176.db2.gz IQDTZYPGFPSDCW-UHFFFAOYSA-N 1 0 375.922 2.540 20 0 GFADRO C[C@H]1C[C@H](N(C)C(=O)c2ccc(S(=O)(=O)C(F)(F)F)cc2)CC[N@@H+]1C ZINC000123320341 551304928 /nfs/dbraw/zinc/30/49/28/551304928.db2.gz AMADUGJXLWKRMC-WCQYABFASA-N 1 0 378.416 2.535 20 0 GFADRO C[C@H]1C[C@@H](N(C)C(=O)c2ccc(S(=O)(=O)C(F)(F)F)cc2)CC[N@@H+]1C ZINC000123320781 551305133 /nfs/dbraw/zinc/30/51/33/551305133.db2.gz AMADUGJXLWKRMC-AAEUAGOBSA-N 1 0 378.416 2.535 20 0 GFADRO Cc1ccc(NC(=O)C(=O)NCC[NH+]2CCCCCC2)cc1Br ZINC000123889187 551309980 /nfs/dbraw/zinc/30/99/80/551309980.db2.gz QYYKTTSGTXHNRY-UHFFFAOYSA-N 1 0 382.302 2.688 20 0 GFADRO C[C@H]1CCC[C@@](CNC(=O)CCn2cc(Br)ccc2=O)([NH+](C)C)C1 ZINC000124490011 551315191 /nfs/dbraw/zinc/31/51/91/551315191.db2.gz SVOCDHIIBOKFLJ-KBXCAEBGSA-N 1 0 398.345 2.628 20 0 GFADRO CC1CC[NH+](C[C@H](O)CNC(=O)CCCc2ccccc2Br)CC1 ZINC000125286378 551321518 /nfs/dbraw/zinc/32/15/18/551321518.db2.gz WHUQFEPRTVPMSV-QGZVFWFLSA-N 1 0 397.357 2.981 20 0 GFADRO O=C1CNC(=O)N1CC[NH+]1CCC(COc2cc(Cl)cc(Cl)c2)CC1 ZINC000125671793 551322356 /nfs/dbraw/zinc/32/23/56/551322356.db2.gz WOTHLWJJHHRJPD-UHFFFAOYSA-N 1 0 386.279 2.636 20 0 GFADRO Cc1[nH]c(=O)c(C(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)cc1Br ZINC000126937635 551334939 /nfs/dbraw/zinc/33/49/39/551334939.db2.gz ZDQHMRPDKAESPQ-ZDUSSCGKSA-N 1 0 382.302 2.949 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)C(=O)CNC(=O)c2ccc(Cl)c(Cl)c2)[C@H](C)C1 ZINC000127287072 551339463 /nfs/dbraw/zinc/33/94/63/551339463.db2.gz XXQPTSVAYIYZAT-WBMJQRKESA-N 1 0 386.323 2.912 20 0 GFADRO C[C@@H](CC(=O)N(C)C)[NH2+]C1CCN(Cc2ccc(Br)cc2)CC1 ZINC000127489707 551341438 /nfs/dbraw/zinc/34/14/38/551341438.db2.gz SEBAXKHJYDQOJA-AWEZNQCLSA-N 1 0 382.346 2.870 20 0 GFADRO CC(C)[C@@H]([NH3+])CCN(C)CCS(=O)(=O)c1ccc(Br)cc1 ZINC000128498642 551349416 /nfs/dbraw/zinc/34/94/16/551349416.db2.gz BMIAAHZTWVOHMN-HNNXBMFYSA-N 1 0 377.348 2.528 20 0 GFADRO CC[N@@H+]1CC[C@H](CNC(=O)c2cc(F)c(F)cc2I)C1 ZINC000129969927 551360950 /nfs/dbraw/zinc/36/09/50/551360950.db2.gz SNGDXIXSEQPIPV-SECBINFHSA-N 1 0 394.203 2.641 20 0 GFADRO O=C(NC[C@H]1CCC[NH2+]C1)[C@@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1 ZINC000130116541 551362276 /nfs/dbraw/zinc/36/22/76/551362276.db2.gz CYDXDEUOXUTUCS-LRDDRELGSA-N 1 0 384.307 2.714 20 0 GFADRO C[C@H]([NH2+]C1CCN(S(=O)(=O)c2cnn(C)c2)CC1)c1ccc(Cl)s1 ZINC000130320718 551363133 /nfs/dbraw/zinc/36/31/33/551363133.db2.gz IHPXGOSKNJATBC-NSHDSACASA-N 1 0 388.946 2.639 20 0 GFADRO C[NH+](C)[C@H]1CCCN(C(=O)c2ccnc(Cl)c2I)C1 ZINC000131466218 551374421 /nfs/dbraw/zinc/37/44/21/551374421.db2.gz NSXHQGDPFGSTKB-VIFPVBQESA-N 1 0 393.656 2.506 20 0 GFADRO CCc1nc(C(=O)N2CCC[C@H]([NH2+]C)C2)nn1-c1c(Cl)cccc1Cl ZINC000133103770 551381344 /nfs/dbraw/zinc/38/13/44/551381344.db2.gz XYRYRBNSHGKABQ-NSHDSACASA-N 1 0 382.295 2.961 20 0 GFADRO OCC[C@@]1(C[NH2+]Cc2cc(Br)ccc2OC(F)F)CCOC1 ZINC000134426582 551385509 /nfs/dbraw/zinc/38/55/09/551385509.db2.gz GFGGXYXNCUNREM-HNNXBMFYSA-N 1 0 380.229 2.929 20 0 GFADRO OCC[C@]1(C[NH2+]Cc2nc(-c3ccc(Br)cc3)c[nH]2)CCOC1 ZINC000134437997 551385665 /nfs/dbraw/zinc/38/56/65/551385665.db2.gz LFEKLICFTSYGBU-QGZVFWFLSA-N 1 0 380.286 2.718 20 0 GFADRO C[C@@H](Cc1cccc(Br)c1)NC(=O)NCCCC[NH+]1CCOCC1 ZINC000139276862 551391923 /nfs/dbraw/zinc/39/19/23/551391923.db2.gz UOSWATNRYGNNST-HNNXBMFYSA-N 1 0 398.345 2.792 20 0 GFADRO Cc1cccc(C(=O)N2CCC[N@@H+]3CCC[C@H]3C2)c1I ZINC000141593119 551394177 /nfs/dbraw/zinc/39/41/77/551394177.db2.gz MUZZXBNUWMMBAG-ZDUSSCGKSA-N 1 0 384.261 2.910 20 0 GFADRO C[C@H]1C[C@@H](N(C)C(=O)NCCOc2ncc(Cl)cc2Cl)CC[N@@H+]1C ZINC000151036323 551406066 /nfs/dbraw/zinc/40/60/66/551406066.db2.gz WHVZHPZSWKVMSB-AAEUAGOBSA-N 1 0 375.300 2.891 20 0 GFADRO O=S(=O)(c1ccc(F)c(C(F)(F)F)c1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000151636699 551418610 /nfs/dbraw/zinc/41/86/10/551418610.db2.gz ZSNUWGAUOGYUQZ-LBPRGKRZSA-N 1 0 380.407 2.951 20 0 GFADRO CC[C@@H](C)[N@H+](C)CCNC(=O)Nc1ccc(NS(C)(=O)=O)c(Cl)c1 ZINC000152186020 551427992 /nfs/dbraw/zinc/42/79/92/551427992.db2.gz QWLXUSAXWZMSGF-LLVKDONJSA-N 1 0 376.910 2.563 20 0 GFADRO O=C(CC[N@@H+](CCO)Cc1cccnc1)Nc1cccc(Br)c1 ZINC000152311991 551430172 /nfs/dbraw/zinc/43/01/72/551430172.db2.gz LLRIJVCAVQWTFD-UHFFFAOYSA-N 1 0 378.270 2.667 20 0 GFADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(Br)c(Cl)c1 ZINC000152532098 551434635 /nfs/dbraw/zinc/43/46/35/551434635.db2.gz LSCCUOHZUBVMRL-LBPRGKRZSA-N 1 0 375.694 2.943 20 0 GFADRO COc1cc(C[NH2+][C@@H]2CCN(C(C)=O)C2)cc(Br)c1OC(F)F ZINC000152855663 551441119 /nfs/dbraw/zinc/44/11/19/551441119.db2.gz DLFACHVUKJHBLU-LLVKDONJSA-N 1 0 393.228 2.770 20 0 GFADRO CN(C(=O)c1cnn(-c2cccc(Br)c2)c1)[C@@H]1CCC[N@H+](C)C1 ZINC000153484718 551453686 /nfs/dbraw/zinc/45/36/86/551453686.db2.gz PRZQIYHWEJKGFE-MRXNPFEDSA-N 1 0 377.286 2.801 20 0 GFADRO C[NH+](C)Cc1cccc(NC(=O)CNC(=O)c2ccc(Br)cc2)c1 ZINC000153540081 551454841 /nfs/dbraw/zinc/45/48/41/551454841.db2.gz IHBQYSOILLZIOD-UHFFFAOYSA-N 1 0 390.281 2.879 20 0 GFADRO C[NH+](C)[C@@H]1CCCN(C(=O)c2cc(F)c(F)cc2I)C1 ZINC000153568085 551456120 /nfs/dbraw/zinc/45/61/20/551456120.db2.gz YHIZKTWCQMZOCG-SECBINFHSA-N 1 0 394.203 2.736 20 0 GFADRO C[NH+]1CCN(Cc2cccc(NS(=O)(=O)c3cccc(Cl)c3)c2)CC1 ZINC000153934944 551463634 /nfs/dbraw/zinc/46/36/34/551463634.db2.gz LXZZJYZTKMKJHF-UHFFFAOYSA-N 1 0 379.913 2.888 20 0 GFADRO CCn1c2ccc(S(N)(=O)=O)cc2nc1SCC[NH+]1CCC(C)CC1 ZINC000154216790 551469789 /nfs/dbraw/zinc/46/97/89/551469789.db2.gz CKCKPPSNCYDAPU-UHFFFAOYSA-N 1 0 382.555 2.528 20 0 GFADRO C[C@H](NC[C@@H](O)C[NH+](C)C)c1ccc(Br)cc1Br ZINC000154299475 551471616 /nfs/dbraw/zinc/47/16/16/551471616.db2.gz NQNYNUJFPJFPKV-GXSJLCMTSA-N 1 0 380.124 2.785 20 0 GFADRO [NH2+]=C1Nc2nc3ccccc3n2[C@H](c2cc(Br)cc3c2OCC3)N1 ZINC000154398549 551474118 /nfs/dbraw/zinc/47/41/18/551474118.db2.gz PLLOIWJOJGNJMX-OAHLLOKOSA-N 1 0 384.237 2.830 20 0 GFADRO CC[N@H+](Cc1ccc(Cl)c(Cl)c1)[C@@H](C)C(=O)N1CCC(C(N)=O)CC1 ZINC000154412623 551474592 /nfs/dbraw/zinc/47/45/92/551474592.db2.gz JNZJVXHHJHGNHC-LBPRGKRZSA-N 1 0 386.323 2.928 20 0 GFADRO CCCC[C@@H]([NH3+])C(=O)N[C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000154593217 551478843 /nfs/dbraw/zinc/47/88/43/551478843.db2.gz ZPGHBICGBLRACU-WCQYABFASA-N 1 0 378.826 2.966 20 0 GFADRO CC(C)[N@H+](C)CCNS(=O)(=O)Cc1ccc(Cl)cc1Br ZINC000155578841 551502968 /nfs/dbraw/zinc/50/29/68/551502968.db2.gz AHYIICGJLJFTLH-UHFFFAOYSA-N 1 0 383.739 2.862 20 0 GFADRO CC(C)(CNC(=O)c1cncc(I)c1)[NH+]1CCCCC1 ZINC000155676864 551505973 /nfs/dbraw/zinc/50/59/73/551505973.db2.gz JKTCVVXLPDLUSH-UHFFFAOYSA-N 1 0 387.265 2.681 20 0 GFADRO C[C@H]1C[C@@H](NC(=O)Cc2cccc(I)c2)C[N@@H+]1C1CC1 ZINC000155857643 551509055 /nfs/dbraw/zinc/50/90/55/551509055.db2.gz CACKLCRFWAWTLC-SMDDNHRTSA-N 1 0 384.261 2.575 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(Cl)cc1Br ZINC000156097529 551514612 /nfs/dbraw/zinc/51/46/12/551514612.db2.gz BQTRFUJXQXSJDR-NSHDSACASA-N 1 0 388.693 2.642 20 0 GFADRO C[C@H](Cc1ccc(Br)cc1)C(=O)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000156182668 551516580 /nfs/dbraw/zinc/51/65/80/551516580.db2.gz SPSJWSALDPJFRD-NVXWUHKLSA-N 1 0 395.341 2.808 20 0 GFADRO C[C@@H]1C[NH2+][C@@H](C)CN1S(=O)(=O)c1c(Cl)cc(F)cc1Br ZINC000156230312 551517571 /nfs/dbraw/zinc/51/75/71/551517571.db2.gz ZCPIHNRRBNOVIL-JGVFFNPUSA-N 1 0 385.686 2.613 20 0 GFADRO C[C@H]1CN(S(=O)(=O)c2c(Cl)cc(F)cc2Br)[C@@H](C)C[NH2+]1 ZINC000156230430 551517825 /nfs/dbraw/zinc/51/78/25/551517825.db2.gz ZCPIHNRRBNOVIL-YUMQZZPRSA-N 1 0 385.686 2.613 20 0 GFADRO Cn1cc(NC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)cc(Br)c1=O ZINC000156261592 551518900 /nfs/dbraw/zinc/51/89/00/551518900.db2.gz SBQCLSJNBSVQOT-HNNXBMFYSA-N 1 0 393.285 2.572 20 0 GFADRO C[NH+](C)[C@H]1CCCN(C(=O)C(=O)Nc2ccc(Cl)c(Br)c2)C1 ZINC000156281187 551518932 /nfs/dbraw/zinc/51/89/32/551518932.db2.gz ABILOTAMELYRDT-NSHDSACASA-N 1 0 388.693 2.594 20 0 GFADRO C[C@@H]1CCCN(C(=O)c2ccc(F)cc2I)[C@H]1C[NH3+] ZINC000156953069 551531442 /nfs/dbraw/zinc/53/14/42/551531442.db2.gz LAVXCFPTBCSHOE-RNCFNFMXSA-N 1 0 376.213 2.630 20 0 GFADRO CN(C(=O)c1cn(-c2ccc(Br)cc2)cn1)C1CC[NH+](C)CC1 ZINC000157302470 551536508 /nfs/dbraw/zinc/53/65/08/551536508.db2.gz CADWJBMLOKTVLK-UHFFFAOYSA-N 1 0 377.286 2.801 20 0 GFADRO [NH3+]C1CCN(C(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)c(Cl)c3)C2)CC1 ZINC000157661353 551541235 /nfs/dbraw/zinc/54/12/35/551541235.db2.gz BRHRJOMFKZTSBW-CYBMUJFWSA-N 1 0 384.307 2.795 20 0 GFADRO CC(C)OC(=O)CC[N@@H+]1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000157723081 551541415 /nfs/dbraw/zinc/54/14/15/551541415.db2.gz BNOXLOLEVHYJHN-CYBMUJFWSA-N 1 0 398.301 2.836 20 0 GFADRO [NH3+][C@H]1CCC[C@H](NC(=O)Nc2ccc(F)cc2I)C1 ZINC000415250091 563763462 /nfs/dbraw/zinc/76/34/62/563763462.db2.gz KXQMPSMHWOAVPG-UWVGGRQHSA-N 1 0 377.201 2.822 20 0 GFADRO [NH3+][C@H]1CCCN(C(=O)[C@H]2CCCN2c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000158201308 551548590 /nfs/dbraw/zinc/54/85/90/551548590.db2.gz HEBSWURHIHJKFP-WCQYABFASA-N 1 0 376.810 2.672 20 0 GFADRO O=C(C[C@H]1C[NH2+]CCO1)Nc1nc(-c2cc(Br)cs2)cs1 ZINC000158373830 551551042 /nfs/dbraw/zinc/55/10/42/551551042.db2.gz NTZYZRKSUOJZFK-VIFPVBQESA-N 1 0 388.312 2.951 20 0 GFADRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)Nc1ccc(F)cc1I ZINC000415249582 563763580 /nfs/dbraw/zinc/76/35/80/563763580.db2.gz KBMKKRDYCNRMFR-BDAKNGLRSA-N 1 0 377.201 2.631 20 0 GFADRO Cc1cc(S(=O)(=O)NCC[NH2+]Cc2ccc3ncccc3c2)c(C)s1 ZINC000158418609 551551635 /nfs/dbraw/zinc/55/16/35/551551635.db2.gz WCGPYRCVXKQLSR-UHFFFAOYSA-N 1 0 375.519 2.981 20 0 GFADRO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)c1ccc(F)cc1I ZINC000158666702 551554946 /nfs/dbraw/zinc/55/49/46/551554946.db2.gz ISSMAOQTAIGTQN-RNCFNFMXSA-N 1 0 376.213 2.678 20 0 GFADRO CCC[NH+]1CCC(CNS(=O)(=O)c2ccc(Cl)cc2C(=O)OC)CC1 ZINC000158779830 551556762 /nfs/dbraw/zinc/55/67/62/551556762.db2.gz XFGFQEYRXOXIKF-UHFFFAOYSA-N 1 0 388.917 2.527 20 0 GFADRO NC(=O)[C@H](c1cccc(Br)c1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000159153892 551561557 /nfs/dbraw/zinc/56/15/57/551561557.db2.gz MSUSRTQCUBVASS-IRXDYDNUSA-N 1 0 380.330 2.926 20 0 GFADRO O=C([C@@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000159292401 551563020 /nfs/dbraw/zinc/56/30/20/551563020.db2.gz XMWLDWMKIICEGA-KZULUSFZSA-N 1 0 382.291 2.558 20 0 GFADRO O=C(N[C@@H]1CCN(c2ccccc2Br)C1)[C@@H]1CCn2ccnc2C1 ZINC000161586948 551596135 /nfs/dbraw/zinc/59/61/35/551596135.db2.gz YCLZDSNYMNYCSB-ZIAGYGMSSA-N 1 0 389.297 2.603 20 0 GFADRO [NH3+][C@H]1CCC[C@H](NC(=O)CCc2nc(-c3cc(Br)cs3)no2)C1 ZINC000161721174 551597710 /nfs/dbraw/zinc/59/77/10/551597710.db2.gz HNYZBNRKZSVDGZ-QWRGUYRKSA-N 1 0 399.314 2.879 20 0 GFADRO CC(C)[C@H]([NH3+])CCN(C)C(=O)CCNC(=O)Nc1ccc(Br)cc1 ZINC000162084190 551603021 /nfs/dbraw/zinc/60/30/21/551603021.db2.gz CQTBGZQOGDLQEJ-OAHLLOKOSA-N 1 0 399.333 2.793 20 0 GFADRO COc1ccc(Br)cc1C(=O)CCC(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000162436655 551608452 /nfs/dbraw/zinc/60/84/52/551608452.db2.gz GQSGRTXPHKASOH-CHWSQXEVSA-N 1 0 383.286 2.807 20 0 GFADRO COCCNS(=O)(=O)c1cccc(C[NH2+]Cc2ccc(F)c(Cl)c2)c1 ZINC000162759617 551612398 /nfs/dbraw/zinc/61/23/98/551612398.db2.gz GRTCEQGJWKIBGA-UHFFFAOYSA-N 1 0 386.876 2.694 20 0 GFADRO CC[N@H+](C)C[C@H]1CCN(S(=O)(=O)c2cc(F)c(Br)cc2F)C1 ZINC000162844679 551613309 /nfs/dbraw/zinc/61/33/09/551613309.db2.gz NTSMFKFPRDUCEY-SNVBAGLBSA-N 1 0 397.285 2.690 20 0 GFADRO CC(=O)Nc1cc(F)c(S(=O)(=O)NCC2([NH3+])CCCCCC2)cc1Cl ZINC000162891985 551614230 /nfs/dbraw/zinc/61/42/30/551614230.db2.gz PCYFKDLNJRBOOD-UHFFFAOYSA-N 1 0 391.896 2.768 20 0 GFADRO Cc1cc(SCC(=O)N2CCO[C@H]([C@H](C)[NH3+])C2)c(C)cc1Br ZINC000163047411 551615442 /nfs/dbraw/zinc/61/54/42/551615442.db2.gz NUSCVDPIWBQUMM-JSGCOSHPSA-N 1 0 387.343 2.733 20 0 GFADRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)c2cc(I)c[nH]2)C1 ZINC000163280337 551618531 /nfs/dbraw/zinc/61/85/31/551618531.db2.gz VWXKDJORWUZYSJ-GFCCVEGCSA-N 1 0 389.281 2.717 20 0 GFADRO CC[C@H](CO)[NH+]1CCN(Cc2cc(Br)cc3cccnc32)CC1 ZINC000163867555 551622488 /nfs/dbraw/zinc/62/24/88/551622488.db2.gz LMRDMENRPNXBQV-QGZVFWFLSA-N 1 0 378.314 2.886 20 0 GFADRO COC(=O)c1ccc(S(=O)(=O)N(CC[NH+](C)C)C2CCCC2)c(Cl)c1 ZINC000163783991 551622524 /nfs/dbraw/zinc/62/25/24/551622524.db2.gz UVAZEKWJVLBYLW-UHFFFAOYSA-N 1 0 388.917 2.622 20 0 GFADRO COc1ccsc1S(=O)(=O)N(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000165921434 551630263 /nfs/dbraw/zinc/63/02/63/551630263.db2.gz RATVCDUVWUEXOW-UHFFFAOYSA-N 1 0 381.523 2.689 20 0 GFADRO CC(C)OCC[NH+]1CCC(NC(=O)Nc2ccc(Br)nc2)CC1 ZINC000166687989 551632626 /nfs/dbraw/zinc/63/26/26/551632626.db2.gz NRNWBVTYVYFEKD-UHFFFAOYSA-N 1 0 385.306 2.855 20 0 GFADRO NC(=O)CC[C@H]1CCC[N@H+](CCC(=O)Nc2ccccc2Br)C1 ZINC000170733181 551638739 /nfs/dbraw/zinc/63/87/39/551638739.db2.gz FJBUUDQGYJGIOP-CYBMUJFWSA-N 1 0 382.302 2.755 20 0 GFADRO COCC[NH+]1CCC(NC(=O)N[C@H]2CCc3c2cccc3Br)CC1 ZINC000170812782 551640335 /nfs/dbraw/zinc/64/03/35/551640335.db2.gz QKUSRXDYCGLPAV-KRWDZBQOSA-N 1 0 396.329 2.846 20 0 GFADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)c1cc2c(cc(Br)cc2F)[nH]1 ZINC000170808390 551640379 /nfs/dbraw/zinc/64/03/79/551640379.db2.gz WMTBSMGPDRFTJJ-LBPRGKRZSA-N 1 0 398.276 2.910 20 0 GFADRO COCCC[NH+]1CCC(NC(=O)NCc2ccc(Br)s2)CC1 ZINC000171198158 551649576 /nfs/dbraw/zinc/64/95/76/551649576.db2.gz RXUWGGCNTDBNCI-UHFFFAOYSA-N 1 0 390.347 2.811 20 0 GFADRO Cc1c(Br)cccc1NC(=O)C(=O)NCCC[NH+]1CCCCC1 ZINC000171221275 551650476 /nfs/dbraw/zinc/65/04/76/551650476.db2.gz QUFMXJSFWGVRJV-UHFFFAOYSA-N 1 0 382.302 2.688 20 0 GFADRO C[C@H](NC(=O)C[N@@H+]1CCC[C@H](C2OCCO2)C1)c1ccc(Br)cc1 ZINC000171376569 551653789 /nfs/dbraw/zinc/65/37/89/551653789.db2.gz MEUJHNVPPVRFGJ-ZFWWWQNUSA-N 1 0 397.313 2.711 20 0 GFADRO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000171925688 551666652 /nfs/dbraw/zinc/66/66/52/551666652.db2.gz FSJYASXOYOZIJB-ZJUUUORDSA-N 1 0 377.794 2.883 20 0 GFADRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(Cc2ccc(Br)cn2)CC1 ZINC000171972532 551667961 /nfs/dbraw/zinc/66/79/61/551667961.db2.gz MNSIQUJKWDCKOG-HOTGVXAUSA-N 1 0 381.362 2.835 20 0 GFADRO O=C(NCCC[NH+]1CCC(O)CC1)[C@H]1C[C@H]1c1cccc(Br)c1 ZINC000172313237 551676081 /nfs/dbraw/zinc/67/60/81/551676081.db2.gz WPXWZPJAKOJSCR-IRXDYDNUSA-N 1 0 381.314 2.516 20 0 GFADRO O[C@H](CN1CC[NH+](CC2CCOCC2)CC1)c1cccc(Br)c1 ZINC000172425933 551679033 /nfs/dbraw/zinc/67/90/33/551679033.db2.gz RBOLPVXZGWOJIW-GOSISDBHSA-N 1 0 383.330 2.527 20 0 GFADRO C[NH+](C)C1CCN(C(=O)C(=O)Nc2ccc(C(F)(F)F)cc2Cl)CC1 ZINC000172537743 551681479 /nfs/dbraw/zinc/68/14/79/551681479.db2.gz IQUDYHXCWAMZCZ-UHFFFAOYSA-N 1 0 377.794 2.850 20 0 GFADRO C[N@@H+]1CCC[C@H](CNc2ncnc3ccc(I)cc32)C1 ZINC000172758628 551686325 /nfs/dbraw/zinc/68/63/25/551686325.db2.gz WAFIZNADMCDYHE-LLVKDONJSA-N 1 0 382.249 2.988 20 0 GFADRO COCc1cc(C(=O)N(CC[NH+](C)C)Cc2ccc(Br)cc2)no1 ZINC000172900868 551689806 /nfs/dbraw/zinc/68/98/06/551689806.db2.gz RDAQKIWAUXJNRA-UHFFFAOYSA-N 1 0 396.285 2.788 20 0 GFADRO O=C(NCc1ccccc1C[NH+]1CCCC1)c1c[nH]c(=O)c(Br)c1 ZINC000172985934 551691609 /nfs/dbraw/zinc/69/16/09/551691609.db2.gz VHCWNTRBPJODFV-UHFFFAOYSA-N 1 0 390.281 2.663 20 0 GFADRO O=S(=O)(Cc1ccc(Cl)nc1)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000173007581 551692071 /nfs/dbraw/zinc/69/20/71/551692071.db2.gz UDZKJUCMNDYYJM-KRWDZBQOSA-N 1 0 379.913 2.992 20 0 GFADRO COc1c(Br)c(C)sc1C(=O)N[C@H](C)[C@H](C)N1CCOCC1 ZINC000173084779 551694968 /nfs/dbraw/zinc/69/49/68/551694968.db2.gz DUOKOQWEIPKSES-ZJUUUORDSA-N 1 0 391.331 2.667 20 0 GFADRO CC(C)[C@H](CNC(=O)c1c[nH]c(=O)c(Br)c1)[NH+]1CCC(C)CC1 ZINC000173085378 551694999 /nfs/dbraw/zinc/69/49/99/551694999.db2.gz QLMCXIKRZGKIRD-HNNXBMFYSA-N 1 0 384.318 2.624 20 0 GFADRO CC[NH+]1CCC(CCNC(=O)C(=O)Nc2ccc(Br)cc2)CC1 ZINC000173196196 552079151 /nfs/dbraw/zinc/07/91/51/552079151.db2.gz LSZVYNGHBVGBIN-UHFFFAOYSA-N 1 0 382.302 2.626 20 0 GFADRO CC[NH+]1CCC(CCNC(=O)C(=O)Nc2ccc(C)cc2Br)CC1 ZINC000173196895 552079237 /nfs/dbraw/zinc/07/92/37/552079237.db2.gz BLKHVKQFGDYQBR-UHFFFAOYSA-N 1 0 396.329 2.934 20 0 GFADRO Cc1ccc(S(=O)(=O)N(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)cc1Br ZINC000173248052 552081053 /nfs/dbraw/zinc/08/10/53/552081053.db2.gz MEHJDDITRFHLPI-WFASDCNBSA-N 1 0 375.332 2.718 20 0 GFADRO O=C(Nc1ccc(Br)cc1)C(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000173338675 552083299 /nfs/dbraw/zinc/08/32/99/552083299.db2.gz XXSBNRWLPIUPFT-AWEZNQCLSA-N 1 0 394.313 2.722 20 0 GFADRO CC[NH+](CC)C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(Br)cc2)C1 ZINC000173609463 552088979 /nfs/dbraw/zinc/08/89/79/552088979.db2.gz BXKPCZZUHPQPLE-ZDUSSCGKSA-N 1 0 382.302 2.578 20 0 GFADRO CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2ccc(Br)cc2C)C1 ZINC000173643304 552090000 /nfs/dbraw/zinc/09/00/00/552090000.db2.gz HUKHWYWOMPUXTK-CQSZACIVSA-N 1 0 396.329 2.886 20 0 GFADRO COc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)NC[C@@H]2CCCO2)cc1Br ZINC000173654570 552090278 /nfs/dbraw/zinc/09/02/78/552090278.db2.gz PZGVZTOMHQONHM-DYEKYZERSA-N 1 0 385.302 2.792 20 0 GFADRO Cc1cc(N2CC[C@H]([NH2+][C@H](C)c3ccc(Br)cc3)C2=O)n(C)n1 ZINC000173804963 552092018 /nfs/dbraw/zinc/09/20/18/552092018.db2.gz KLGYPEDNHWAVLZ-DOMZBBRYSA-N 1 0 377.286 2.947 20 0 GFADRO COc1ccc(Br)cc1CC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000173877595 552095230 /nfs/dbraw/zinc/09/52/30/552095230.db2.gz JYRHLKRXNGIDOF-AWEZNQCLSA-N 1 0 381.314 2.945 20 0 GFADRO CC[N@H+](C)C[C@H]1CCN(S(=O)(=O)c2ccc(Br)c(C)c2)C1 ZINC000174020931 552096923 /nfs/dbraw/zinc/09/69/23/552096923.db2.gz MAUGPWGIUKGHCT-CYBMUJFWSA-N 1 0 375.332 2.720 20 0 GFADRO Cn1ccc(N2CCC[C@H]([NH2+][C@H]3CCc4c3cccc4Br)C2=O)n1 ZINC000174049135 552097805 /nfs/dbraw/zinc/09/78/05/552097805.db2.gz GHLHMVIFGRFWEE-HOTGVXAUSA-N 1 0 389.297 2.955 20 0 GFADRO O=C(c1[nH]c2ccccc2c1Br)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000174210541 552102542 /nfs/dbraw/zinc/10/25/42/552102542.db2.gz WVFQIIBGJHFUTA-CYBMUJFWSA-N 1 0 392.297 2.725 20 0 GFADRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2ccc(F)cc2I)C1 ZINC000174489615 552105044 /nfs/dbraw/zinc/10/50/44/552105044.db2.gz YZOFJXBTVKXEFI-LLVKDONJSA-N 1 0 390.240 2.844 20 0 GFADRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2ccc(I)c(F)c2)C1 ZINC000174502919 552105580 /nfs/dbraw/zinc/10/55/80/552105580.db2.gz MFISPZQWBZESDS-LLVKDONJSA-N 1 0 390.240 2.844 20 0 GFADRO CC1CC[NH+](CCNC(=O)c2cc(=O)[nH]c3c(Br)cccc23)CC1 ZINC000175500485 552123369 /nfs/dbraw/zinc/12/33/69/552123369.db2.gz CAFOLFOJCRDZET-UHFFFAOYSA-N 1 0 392.297 2.752 20 0 GFADRO C[C@H](C(=O)Nc1cccc(Br)c1)N1CC[NH+](C2CCOCC2)CC1 ZINC000175499349 552123681 /nfs/dbraw/zinc/12/36/81/552123681.db2.gz YGWWTSFOKFBNBO-CQSZACIVSA-N 1 0 396.329 2.573 20 0 GFADRO CC(C)OCC[NH+]1CCC(NC(=O)Nc2nnc(C(F)(F)F)s2)CC1 ZINC000175587629 552125571 /nfs/dbraw/zinc/12/55/71/552125571.db2.gz SSWVJBOOWFHHAW-UHFFFAOYSA-N 1 0 381.424 2.568 20 0 GFADRO O=C(NCC1(C[NH+]2CCOCC2)CCCCC1)c1cncc(Br)c1 ZINC000175662001 552126409 /nfs/dbraw/zinc/12/64/09/552126409.db2.gz WNBXBJLNLNIGHT-UHFFFAOYSA-N 1 0 396.329 2.857 20 0 GFADRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)NCC(=O)Nc2ccc(Br)cc2)C1 ZINC000175907008 552131927 /nfs/dbraw/zinc/13/19/27/552131927.db2.gz JGMSRZJZOFTBHE-CABCVRRESA-N 1 0 397.317 2.560 20 0 GFADRO C[NH+](C)C[C@H]1CCCCN1C(=O)c1cc(=O)[nH]c2c(Br)cccc12 ZINC000176234756 552137090 /nfs/dbraw/zinc/13/70/90/552137090.db2.gz IDSCAYBRGOEYGO-GFCCVEGCSA-N 1 0 392.297 2.847 20 0 GFADRO CN1CCC(CNC(=O)c2occc2Br)([NH+]2CCCCC2)CC1 ZINC000177471837 552155478 /nfs/dbraw/zinc/15/54/78/552155478.db2.gz NXZXHPLEGXLSNL-UHFFFAOYSA-N 1 0 384.318 2.722 20 0 GFADRO COCC[N@H+](C)CCCNC(=O)N1CCc2cc(Br)cc(F)c21 ZINC000177849054 552160102 /nfs/dbraw/zinc/16/01/02/552160102.db2.gz UWHKZEOUQKEADV-UHFFFAOYSA-N 1 0 388.281 2.629 20 0 GFADRO O=C(NC1CC[NH+](Cc2ccncc2)CC1)c1ccncc1Br ZINC000178105762 552164113 /nfs/dbraw/zinc/16/41/13/552164113.db2.gz IMVVBXLSUGRDIU-UHFFFAOYSA-N 1 0 375.270 2.634 20 0 GFADRO Cc1ccc([C@H](C)[NH2+]Cc2ccc(S(=O)(=O)N3CCOCC3)cc2)s1 ZINC000178346746 552169744 /nfs/dbraw/zinc/16/97/44/552169744.db2.gz UVTRHFFYHWECEY-HNNXBMFYSA-N 1 0 380.535 2.928 20 0 GFADRO O=C(c1ccc(Br)c(Cl)c1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000178418990 552169975 /nfs/dbraw/zinc/16/99/75/552169975.db2.gz RYYYAYXLEBLQNX-GFCCVEGCSA-N 1 0 387.705 2.897 20 0 GFADRO [NH3+]C[C@H]1CCN(C(=O)Cc2csc(-c3cc(Br)cs3)n2)C1 ZINC000178565084 552172411 /nfs/dbraw/zinc/17/24/11/552172411.db2.gz YXLVNTKKPQLBFR-SECBINFHSA-N 1 0 386.340 2.984 20 0 GFADRO O=C(Cc1csc(-c2cccc(Br)c2)n1)NC[C@H]1CCC[NH2+]1 ZINC000178777934 552174898 /nfs/dbraw/zinc/17/48/98/552174898.db2.gz XMXSAHAKLJCAJU-CYBMUJFWSA-N 1 0 380.311 2.983 20 0 GFADRO C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)C2([NH3+])CCCC2)CC1 ZINC000178821765 552176443 /nfs/dbraw/zinc/17/64/43/552176443.db2.gz PQBSIEBEYTWXOP-AWEZNQCLSA-N 1 0 380.330 2.926 20 0 GFADRO CCCN([C@H]1CC[NH2+]C1)S(=O)(=O)c1cc(Br)ccc1Cl ZINC000178934486 552179671 /nfs/dbraw/zinc/17/96/71/552179671.db2.gz XKTRUGGKNFFNPE-NSHDSACASA-N 1 0 381.723 2.865 20 0 GFADRO CCCN(C(=O)c1ccc(I)c(F)c1)[C@H]1CC[NH2+]C1 ZINC000178927891 552179682 /nfs/dbraw/zinc/17/96/82/552179682.db2.gz GKPSSFVLQIBYCC-NSHDSACASA-N 1 0 376.213 2.644 20 0 GFADRO Cc1ccc(C(=O)NCC2CC[NH+](CCN(C)C)CC2)c(Br)c1 ZINC000179016074 552182410 /nfs/dbraw/zinc/18/24/10/552182410.db2.gz ZVPNRWYTLDWAQT-UHFFFAOYSA-N 1 0 382.346 2.761 20 0 GFADRO CCOc1cc(Br)c(CC(=O)N(C)[C@H]2CC[NH2+]C2)cc1OCC ZINC000179055445 552183346 /nfs/dbraw/zinc/18/33/46/552183346.db2.gz LCXPIJSRDSWXGQ-ZDUSSCGKSA-N 1 0 385.302 2.609 20 0 GFADRO COC(=O)C[C@H]1CCC[N@@H+]1CCC(=O)Nc1ccc(Br)cc1F ZINC000179136296 552184763 /nfs/dbraw/zinc/18/47/63/552184763.db2.gz YLICXSGCWFDSPH-GFCCVEGCSA-N 1 0 387.249 2.944 20 0 GFADRO NC(=O)[C@@H](NCCOc1ccc(F)cc1F)c1cccc(Br)c1 ZINC000179222305 552187565 /nfs/dbraw/zinc/18/75/65/552187565.db2.gz DJEHIKBOHAXAAH-HNNXBMFYSA-N 1 0 385.208 2.922 20 0 GFADRO CC(C)c1nn(-c2ccc(Br)cc2)cc1C[NH2+]C[C@@]1(O)CCOC1 ZINC000179328038 552190078 /nfs/dbraw/zinc/19/00/78/552190078.db2.gz SVWAQRTXFHIALC-SFHVURJKSA-N 1 0 394.313 2.999 20 0 GFADRO Cc1ccc(Br)c(NC(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)c1 ZINC000179352909 552190481 /nfs/dbraw/zinc/19/04/81/552190481.db2.gz DEDKHQXJQYYNFD-AWEZNQCLSA-N 1 0 382.302 2.944 20 0 GFADRO CCCN(C(=O)[C@H](C)[NH2+][C@@H](C)c1cc(C)sc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000179374561 552191355 /nfs/dbraw/zinc/19/13/55/552191355.db2.gz NCOPPNRAMVEKMX-OFQRWUPVSA-N 1 0 386.583 2.830 20 0 GFADRO NC(=O)CC1CC[NH+](Cc2cnn(-c3ccc(Br)cc3)c2)CC1 ZINC000179437527 552193363 /nfs/dbraw/zinc/19/33/63/552193363.db2.gz LQLNIGAULDJUJR-UHFFFAOYSA-N 1 0 377.286 2.722 20 0 GFADRO CNC(=O)[C@@H]1CCC[N@H+](Cc2cnn(-c3ccc(Br)cc3)c2)C1 ZINC000179617342 552197873 /nfs/dbraw/zinc/19/78/73/552197873.db2.gz ZKJQCXCTLDXNFX-CQSZACIVSA-N 1 0 377.286 2.593 20 0 GFADRO Cc1cc(Br)cc(CN(C)[C@@H]2CCS(=O)(=O)C2)c1OC(F)F ZINC000179866322 552205340 /nfs/dbraw/zinc/20/53/40/552205340.db2.gz OYWAOUBRAUMWKD-GFCCVEGCSA-N 1 0 398.269 2.978 20 0 GFADRO C[C@@H]([NH2+]CC(=O)N(C)Cc1cc(Br)cs1)C1CCOCC1 ZINC000179875302 552206062 /nfs/dbraw/zinc/20/60/62/552206062.db2.gz WZBXOMJAXNGOGS-LLVKDONJSA-N 1 0 375.332 2.874 20 0 GFADRO COCC[N@H+](C)CCNC(=O)c1cc(Br)cc(Br)c1 ZINC000179985501 552208739 /nfs/dbraw/zinc/20/87/39/552208739.db2.gz RKOFWEOCNWTKHA-UHFFFAOYSA-N 1 0 394.107 2.520 20 0 GFADRO Cc1c(Br)cccc1NC(=O)C(=O)N1CCC([NH2+]C(C)C)CC1 ZINC000180359197 552223994 /nfs/dbraw/zinc/22/39/94/552223994.db2.gz XFGZTECBHQXYKB-UHFFFAOYSA-N 1 0 382.302 2.685 20 0 GFADRO C[C@@H]1CCCN(C(=O)C[NH2+]C(C)(C)COc2ncccc2Br)C1 ZINC000180395782 552224939 /nfs/dbraw/zinc/22/49/39/552224939.db2.gz ZCIWQOJMVMDKSE-CYBMUJFWSA-N 1 0 384.318 2.850 20 0 GFADRO C[NH+](C)C1CCN(c2ccc(NC(=O)CSc3nncs3)cc2)CC1 ZINC000180416867 552225793 /nfs/dbraw/zinc/22/57/93/552225793.db2.gz RQAUVOHCINXQDD-UHFFFAOYSA-N 1 0 377.539 2.799 20 0 GFADRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1c[nH]c2cccc(Br)c12 ZINC000180425300 552225818 /nfs/dbraw/zinc/22/58/18/552225818.db2.gz MKAFPOFKGOVXLE-GFCCVEGCSA-N 1 0 380.286 2.507 20 0 GFADRO C[NH+](C)C[C@H]1CCN(C(=O)CNC(=O)c2sc3ccccc3c2Cl)C1 ZINC000180862800 552238532 /nfs/dbraw/zinc/23/85/32/552238532.db2.gz ZYYDCQBHBCPDEX-GFCCVEGCSA-N 1 0 379.913 2.695 20 0 GFADRO C[C@@]1(C(=O)N2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)CCCC[NH2+]1 ZINC000180914902 552240264 /nfs/dbraw/zinc/24/02/64/552240264.db2.gz NRPJDSPBJWWEMZ-SFHVURJKSA-N 1 0 384.307 2.810 20 0 GFADRO C[C@H]([NH2+][C@H]1CC(=O)N(CCN2CCOCC2)C1)c1ccc(Cl)cc1Cl ZINC000181033063 552243596 /nfs/dbraw/zinc/24/35/96/552243596.db2.gz QJTKCVKBQGSASP-ZFWWWQNUSA-N 1 0 386.323 2.577 20 0 GFADRO C[C@@H]([NH2+][C@H]1CC(=O)N(CCN2CCOCC2)C1)c1cc(Cl)ccc1Cl ZINC000181038494 552243827 /nfs/dbraw/zinc/24/38/27/552243827.db2.gz SKALNTXNICUAJJ-HIFRSBDPSA-N 1 0 386.323 2.577 20 0 GFADRO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]CC(=O)Nc2cccc(Cl)c2)cc1 ZINC000181052328 552244497 /nfs/dbraw/zinc/24/44/97/552244497.db2.gz BCDYAISMERUXRC-GFCCVEGCSA-N 1 0 381.885 2.537 20 0 GFADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)Cc3ccc(Br)cc3C)C2)CC1 ZINC000181218359 552250330 /nfs/dbraw/zinc/25/03/30/552250330.db2.gz CYBHJSGFEPSKTC-GOSISDBHSA-N 1 0 394.357 2.538 20 0 GFADRO COc1cc(OC)cc(OCC[NH2+][C@H](C)Cn2cc(Br)cn2)c1 ZINC000181347083 552253999 /nfs/dbraw/zinc/25/39/99/552253999.db2.gz GBEUVQYIOZQOCL-GFCCVEGCSA-N 1 0 384.274 2.720 20 0 GFADRO C[C@@H]1CCC[C@H](CO)[N@@H+]1CC(=O)N(C)Cc1cc(Br)cs1 ZINC000181402113 552255893 /nfs/dbraw/zinc/25/58/93/552255893.db2.gz JWRZARNOUPUJSN-DGCLKSJQSA-N 1 0 375.332 2.704 20 0 GFADRO COC1(C[NH2+][C@H](C)CC(=O)Nc2cccc(Br)c2)CCOCC1 ZINC000181546315 552260718 /nfs/dbraw/zinc/26/07/18/552260718.db2.gz NHVUFXLYNFDEDA-CYBMUJFWSA-N 1 0 385.302 2.951 20 0 GFADRO C[C@H]1CCc2c(F)cccc2[C@@H]1[NH2+]C[C@H](O)CS(=O)(=O)c1cccs1 ZINC000181634737 552262957 /nfs/dbraw/zinc/26/29/57/552262957.db2.gz GPQRXXZPYIIGAO-ZJNRKIDTSA-N 1 0 383.510 2.935 20 0 GFADRO C[C@@H]([NH2+]C[C@@H](O)CS(=O)(=O)c1cccs1)c1ccccc1OC(F)F ZINC000181633999 552263209 /nfs/dbraw/zinc/26/32/09/552263209.db2.gz HMZMLQURLMYZGD-VXGBXAGGSA-N 1 0 391.461 2.835 20 0 GFADRO C[C@H]([NH2+]C[C@@H](O)CS(=O)(=O)c1cccs1)c1cnc2ccsc2c1 ZINC000181636353 552263741 /nfs/dbraw/zinc/26/37/41/552263741.db2.gz ULSPCGMNQWSMHF-WCQYABFASA-N 1 0 382.532 2.843 20 0 GFADRO Cc1ccc(C[C@@H]([NH2+]C[C@H](O)CS(=O)(=O)c2cccs2)C2CC2)cc1 ZINC000181642260 552264112 /nfs/dbraw/zinc/26/41/12/552264112.db2.gz LCGGLTNJYAAUPW-ZWKOTPCHSA-N 1 0 379.547 2.802 20 0 GFADRO C[C@H]([NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1)c1cc(Cl)ccc1OC(F)F ZINC000181682771 552265428 /nfs/dbraw/zinc/26/54/28/552265428.db2.gz YSWMGQCCYJSWAX-QWRGUYRKSA-N 1 0 382.860 2.874 20 0 GFADRO COc1ccc([C@H](C)[NH2+]CC2CCS(=O)(=O)CC2)cc1Br ZINC000181758672 552267019 /nfs/dbraw/zinc/26/70/19/552267019.db2.gz JPQKKLMUMLLRQS-NSHDSACASA-N 1 0 376.316 2.933 20 0 GFADRO Cc1cc(Br)ccc1CC(=O)NCC1CC[NH+](CCN(C)C)CC1 ZINC000181884780 552269770 /nfs/dbraw/zinc/26/97/70/552269770.db2.gz KDELYZDVYFJYBC-UHFFFAOYSA-N 1 0 396.373 2.690 20 0 GFADRO C[N@H+](CCCO)C1CCN(C(=O)Nc2ccc(F)c(Br)c2)CC1 ZINC000181996105 552272569 /nfs/dbraw/zinc/27/25/69/552272569.db2.gz FJCKXPRLPGDIOZ-UHFFFAOYSA-N 1 0 388.281 2.899 20 0 GFADRO Cc1ccc(S(=O)(=O)NCC[NH2+][C@@H]2CCCOc3cc(F)ccc32)s1 ZINC000182159427 552277028 /nfs/dbraw/zinc/27/70/28/552277028.db2.gz BTYFTKMBPPKFAM-OAHLLOKOSA-N 1 0 384.498 2.977 20 0 GFADRO CCOC(=O)COc1c(Br)cc(C)cc1C[NH2+]C[C@H](O)C(C)C ZINC000182280004 552280266 /nfs/dbraw/zinc/28/02/66/552280266.db2.gz CYMDLZVTWNIDSK-HNNXBMFYSA-N 1 0 388.302 2.806 20 0 GFADRO CC(C)[C@H]([NH2+]CCCc1ccccc1Br)C(=O)N1CCOCC1 ZINC000182437423 552283808 /nfs/dbraw/zinc/28/38/08/552283808.db2.gz ZKHVDTGRRYICCP-KRWDZBQOSA-N 1 0 383.330 2.855 20 0 GFADRO O=C(CCc1cc(F)ccc1Br)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000182472226 552284656 /nfs/dbraw/zinc/28/46/56/552284656.db2.gz NEBPQQGFUVUPRQ-CQSZACIVSA-N 1 0 399.304 2.702 20 0 GFADRO CC[C@@H](C)[C@H](C)[NH2+]CCC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1Cl ZINC000183046120 552299309 /nfs/dbraw/zinc/29/93/09/552299309.db2.gz QVZCTSQJCCCPNT-OLZOCXBDSA-N 1 0 389.949 2.943 20 0 GFADRO CCCN(C1CC[NH2+]CC1)S(=O)(=O)c1cc(F)c(Br)cc1F ZINC000183197496 552302845 /nfs/dbraw/zinc/30/28/45/552302845.db2.gz OTRZTLSUKPUSIX-UHFFFAOYSA-N 1 0 397.285 2.880 20 0 GFADRO Cn1ccnc1[C@@H]([NH2+]CCNC(=O)c1ccc(Br)cc1)C1CC1 ZINC000183252841 552304004 /nfs/dbraw/zinc/30/40/04/552304004.db2.gz ZXBPMBPVZSIUOE-HNNXBMFYSA-N 1 0 377.286 2.653 20 0 GFADRO Cc1cc2cc(C(=O)NC[C@H](C)N3CC[NH+](C)CC3)oc2c(Br)c1 ZINC000183598561 552314241 /nfs/dbraw/zinc/31/42/41/552314241.db2.gz MEKDGBJDSKERDP-ZDUSSCGKSA-N 1 0 394.313 2.869 20 0 GFADRO C[NH+](C)C[C@H]1CCN(C(=O)c2ncc(Br)cc2Br)C1 ZINC000183648602 552315653 /nfs/dbraw/zinc/31/56/53/552315653.db2.gz COSWEXFHFZKSGH-SECBINFHSA-N 1 0 391.107 2.630 20 0 GFADRO C[C@@H](CCNC(=O)Nc1cc(Br)cn(C)c1=O)[NH+]1CCCCC1 ZINC000183870241 552321616 /nfs/dbraw/zinc/32/16/16/552321616.db2.gz RJRWXRLEOBGZQV-LBPRGKRZSA-N 1 0 385.306 2.534 20 0 GFADRO O=C(NCCC[NH+]1CCC(O)CC1)c1cccc(Br)c1Cl ZINC000184164055 552328670 /nfs/dbraw/zinc/32/86/70/552328670.db2.gz JNROHAXYLDXWMD-UHFFFAOYSA-N 1 0 375.694 2.679 20 0 GFADRO CC(C)c1nn(-c2ccc(Br)cc2)cc1C[NH2+][C@]1(CO)CCOC1 ZINC000184189503 552328924 /nfs/dbraw/zinc/32/89/24/552328924.db2.gz NZBKWCYRWREIJD-SFHVURJKSA-N 1 0 394.313 2.999 20 0 GFADRO CC(=O)Nc1ccc(S(=O)(=O)CCC[NH2+][C@@H](C)c2nc(C)cs2)cc1 ZINC000184253754 552330950 /nfs/dbraw/zinc/33/09/50/552330950.db2.gz MLYSWGVQSUQGKJ-ZDUSSCGKSA-N 1 0 381.523 2.925 20 0 GFADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)c1ccc(Br)c(Cl)c1 ZINC000184367540 552334235 /nfs/dbraw/zinc/33/42/35/552334235.db2.gz BONMCSKDWMDAPL-GFCCVEGCSA-N 1 0 388.737 2.858 20 0 GFADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)[C@@H](C)Cc1ccc(Br)cc1 ZINC000184368912 552334266 /nfs/dbraw/zinc/33/42/66/552334266.db2.gz VUUXHFXTWHLRJL-JKSUJKDBSA-N 1 0 396.373 2.770 20 0 GFADRO COc1cc(C)c(Br)cc1NC(=O)N[C@@H](C)CN1CC[NH+](C)CC1 ZINC000184581802 552339087 /nfs/dbraw/zinc/33/90/87/552339087.db2.gz OGNVANOLJPYZSJ-ZDUSSCGKSA-N 1 0 399.333 2.524 20 0 GFADRO O=S(=O)(c1ccc(Br)cc1F)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000184894281 552347071 /nfs/dbraw/zinc/34/70/71/552347071.db2.gz JUGPPGGJEIUVQK-GFCCVEGCSA-N 1 0 391.306 2.695 20 0 GFADRO C[C@@H]1C[C@@H](N(C)S(=O)(=O)c2ccc(Br)cc2F)CC[N@@H+]1C ZINC000184916162 552347834 /nfs/dbraw/zinc/34/78/34/552347834.db2.gz RKDPMXZDOFXQPE-PWSUYJOCSA-N 1 0 379.295 2.691 20 0 GFADRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)c3ccc(I)cc3Cl)C[C@@H]12 ZINC000185097864 552354122 /nfs/dbraw/zinc/35/41/22/552354122.db2.gz MVLQWRRVQBACSS-RLCGTCKNSA-N 1 0 390.652 2.754 20 0 GFADRO Nc1cc(Br)ccc1C(=O)NCC1([NH+]2CCCCC2)CCOCC1 ZINC000185265706 552359132 /nfs/dbraw/zinc/35/91/32/552359132.db2.gz ICAFEHAOQBFGFV-UHFFFAOYSA-N 1 0 396.329 2.796 20 0 GFADRO Cc1cccc(NC(=O)C(=O)N2CCC([NH2+]C(C)C)CC2)c1Br ZINC000185521635 552365006 /nfs/dbraw/zinc/36/50/06/552365006.db2.gz ZYCJPLQKXHSPMU-UHFFFAOYSA-N 1 0 382.302 2.685 20 0 GFADRO COc1ccsc1[C@H](C)[NH2+]CC1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000186163116 552380449 /nfs/dbraw/zinc/38/04/49/552380449.db2.gz BAKRMDOVEADFOB-JTQLQIEISA-N 1 0 386.461 2.969 20 0 GFADRO CN(C)C(=O)COc1cccc(C[NH2+]Cc2cncc(Br)c2)c1 ZINC000186594444 552391787 /nfs/dbraw/zinc/39/17/87/552391787.db2.gz YTIDQYWRBAEGOU-UHFFFAOYSA-N 1 0 378.270 2.601 20 0 GFADRO CN(CC[N@H+](C)C1CC1)C(=O)c1nn(-c2ccc(F)cc2)cc1Br ZINC000186747813 552396448 /nfs/dbraw/zinc/39/64/48/552396448.db2.gz XQLCHVNIVPRHRJ-UHFFFAOYSA-N 1 0 395.276 2.940 20 0 GFADRO C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)N(C)CC[N@H+](C)C1CC1 ZINC000186778453 552397728 /nfs/dbraw/zinc/39/77/28/552397728.db2.gz DYLGXNGCHZELAE-AWEZNQCLSA-N 1 0 382.346 2.822 20 0 GFADRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)[C@@H]1C[C@@H]1c1cccc(Br)c1 ZINC000186922519 552401593 /nfs/dbraw/zinc/40/15/93/552401593.db2.gz SCEQPZOOVHPDSD-KBRIMQKVSA-N 1 0 395.341 2.856 20 0 GFADRO CCOc1cc(C[NH2+][C@H](C)C2CCS(=O)(=O)CC2)ccc1OC(F)F ZINC000187025352 552404152 /nfs/dbraw/zinc/40/41/52/552404152.db2.gz GHZXEYNVYKXEAZ-GFCCVEGCSA-N 1 0 377.453 2.990 20 0 GFADRO Cc1cc(Br)c(F)cc1NC(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000187144715 552407552 /nfs/dbraw/zinc/40/75/52/552407552.db2.gz BTIBJUOKHRSGPV-GFCCVEGCSA-N 1 0 398.276 2.532 20 0 GFADRO C[C@@H]([NH2+]C1CCC(S(C)(=O)=O)CC1)c1ncc(Br)cc1F ZINC000187351566 552413238 /nfs/dbraw/zinc/41/32/38/552413238.db2.gz MNOPSZATHWUHKC-OIKLOGQESA-N 1 0 379.295 2.990 20 0 GFADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)Nc1cc(C)cc(Br)c1 ZINC000187807998 552424658 /nfs/dbraw/zinc/42/46/58/552424658.db2.gz RQGJOTZTRJFTRO-CVEARBPZSA-N 1 0 394.313 2.781 20 0 GFADRO O=C(NCC[N@@H+]1CCCOCC1)Nc1cc(F)c(Br)c(F)c1 ZINC000188610858 552450002 /nfs/dbraw/zinc/45/00/02/552450002.db2.gz XHHSEDYWSSJDSR-UHFFFAOYSA-N 1 0 378.217 2.571 20 0 GFADRO C[C@@H]1CN(C(=O)COc2ccc(Cl)c(Cl)c2)CC[N@@H+]1CC(C)(C)O ZINC000188605510 552450307 /nfs/dbraw/zinc/45/03/07/552450307.db2.gz DKAMFFBYNCWBBF-GFCCVEGCSA-N 1 0 375.296 2.676 20 0 GFADRO C[C@H](C(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1)c1ccc(Br)s1 ZINC000188697432 552452870 /nfs/dbraw/zinc/45/28/70/552452870.db2.gz YYXGBYDUZKYZKW-NEPJUHHUSA-N 1 0 389.359 2.918 20 0 GFADRO COc1cccc([C@H](CNC(=O)c2ncc(Br)s2)[NH+](C)C)c1 ZINC000188841820 552456630 /nfs/dbraw/zinc/45/66/30/552456630.db2.gz SRUWSHJESMFRPF-LBPRGKRZSA-N 1 0 384.299 2.947 20 0 GFADRO O=C(Nc1nnc(SCc2cccs2)s1)c1n[nH]c2c1C[NH2+]CC2 ZINC000188863155 552456949 /nfs/dbraw/zinc/45/69/49/552456949.db2.gz ORTZZOWXZYDUAE-UHFFFAOYSA-N 1 0 378.508 2.513 20 0 GFADRO Cc1ccc(CN2CC[C@@H]([NH2+][C@H](C)Cn3cc(Br)cn3)C2=O)cc1 ZINC000189081913 552462589 /nfs/dbraw/zinc/46/25/89/552462589.db2.gz QOMAZBKRESRYLQ-RHSMWYFYSA-N 1 0 391.313 2.733 20 0 GFADRO CSc1ccccc1C[C@H](C)[NH2+]Cc1ccc(S(=O)(=O)CCO)cc1 ZINC000189155839 552464464 /nfs/dbraw/zinc/46/44/64/552464464.db2.gz PWEHGNLRTNYPAY-HNNXBMFYSA-N 1 0 379.547 2.895 20 0 GFADRO O=S(=O)(NCc1ccc2c(c1)C[NH2+]C2)c1ccc(F)cc1Br ZINC000189212150 552466098 /nfs/dbraw/zinc/46/60/98/552466098.db2.gz PZKRHXJQXLOSGV-UHFFFAOYSA-N 1 0 385.258 2.670 20 0 GFADRO O=C(Nc1ccc(Br)cc1)C(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000189396028 552470783 /nfs/dbraw/zinc/47/07/83/552470783.db2.gz DXQQCKVYDLYQKI-MRXNPFEDSA-N 1 0 394.313 2.865 20 0 GFADRO O[C@]1(C[NH2+]Cc2cnc(N3CCOCC3)s2)CCC[C@@H](C(F)(F)F)C1 ZINC000189612973 552475847 /nfs/dbraw/zinc/47/58/47/552475847.db2.gz NUAVWMPLZSBQMJ-IUODEOHRSA-N 1 0 379.448 2.553 20 0 GFADRO O=C(Nc1ccc(Cl)cc1C(F)(F)F)C(=O)N1CC[NH+]2CCC1CC2 ZINC000189789632 552479868 /nfs/dbraw/zinc/47/98/68/552479868.db2.gz FBVVKSMXFKMJLZ-UHFFFAOYSA-N 1 0 375.778 2.604 20 0 GFADRO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc(Cl)c(S(C)(=O)=O)c1 ZINC000189905390 552482687 /nfs/dbraw/zinc/48/26/87/552482687.db2.gz RAEOMKHXNNYHEL-ZIAGYGMSSA-N 1 0 385.917 2.834 20 0 GFADRO C[N@@H+]1CCC[C@H](CNC(=O)C(=O)Nc2cc(Cl)cc(C(F)(F)F)c2)C1 ZINC000189963246 552483968 /nfs/dbraw/zinc/48/39/68/552483968.db2.gz SPDBNYWBOKRIOA-SNVBAGLBSA-N 1 0 377.794 2.755 20 0 GFADRO COc1cc(Br)ccc1[C@H](C)[NH2+]CC(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000190432616 552495970 /nfs/dbraw/zinc/49/59/70/552495970.db2.gz BTGRLAMUJBUQHX-AVGNSLFASA-N 1 0 385.302 2.744 20 0 GFADRO Cc1cccc(CNC(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)c1Br ZINC000190495274 552498604 /nfs/dbraw/zinc/49/86/04/552498604.db2.gz XUIGOPHMAQVPJK-OAHLLOKOSA-N 1 0 396.329 2.621 20 0 GFADRO Cc1cc(NC(=O)C(=O)N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)cc(C)c1Br ZINC000190617153 552503293 /nfs/dbraw/zinc/50/32/93/552503293.db2.gz YTSQKFRPXWPIBO-JSGCOSHPSA-N 1 0 394.313 2.746 20 0 GFADRO CN(C1CC[NH+](C)CC1)S(=O)(=O)c1cc(Cl)c(Br)cc1F ZINC000190626652 552504019 /nfs/dbraw/zinc/50/40/19/552504019.db2.gz JHZGIKAMBSOVSO-UHFFFAOYSA-N 1 0 399.713 2.956 20 0 GFADRO C[NH+](C)C1CCN(S(=O)(=O)c2cc(Cl)c(Br)cc2F)CC1 ZINC000190649343 552504955 /nfs/dbraw/zinc/50/49/55/552504955.db2.gz KONFPGGKHIRZAL-UHFFFAOYSA-N 1 0 399.713 2.956 20 0 GFADRO CCC[N@H+](CC)CCNC(=O)C(=O)Nc1cc(F)cc(F)c1Br ZINC000191227835 552522188 /nfs/dbraw/zinc/52/21/88/552522188.db2.gz QIBGMKKFNANLPV-UHFFFAOYSA-N 1 0 392.244 2.514 20 0 GFADRO Cc1c(Br)cccc1CC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000191307586 552524289 /nfs/dbraw/zinc/52/42/89/552524289.db2.gz AUMJMESPBWLTFD-INIZCTEOSA-N 1 0 383.330 2.773 20 0 GFADRO CC1CC[NH+](CCN2CCCN(c3nnc(C(F)(F)F)s3)CC2)CC1 ZINC000191319995 552524693 /nfs/dbraw/zinc/52/46/93/552524693.db2.gz DCTINZRSCKZRGE-UHFFFAOYSA-N 1 0 377.480 2.801 20 0 GFADRO COC(=O)[C@@]1(C)CC[N@H+](Cc2ccc(Br)cc2N2CCOCC2)C1 ZINC000191696472 552535175 /nfs/dbraw/zinc/53/51/75/552535175.db2.gz PAZVOPSRMAQILV-SFHVURJKSA-N 1 0 397.313 2.671 20 0 GFADRO CC[NH+](CC)CCCNC(=O)C(=O)Nc1cc(Br)c(F)cc1C ZINC000191913629 552542075 /nfs/dbraw/zinc/54/20/75/552542075.db2.gz XVTXUYZVQPCFDR-UHFFFAOYSA-N 1 0 388.281 2.683 20 0 GFADRO CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2cc(Cl)c(Cl)cc2OC)C1 ZINC000191970168 552544387 /nfs/dbraw/zinc/54/43/87/552544387.db2.gz OMHYTIYMGULHLC-NSHDSACASA-N 1 0 388.295 2.789 20 0 GFADRO COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)NCCC1CC[NH+](C)CC1 ZINC000192040073 552547322 /nfs/dbraw/zinc/54/73/22/552547322.db2.gz VVAIQUQESRTQPR-UHFFFAOYSA-N 1 0 388.295 2.789 20 0 GFADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(Br)c(F)cc1F ZINC000192062765 552548253 /nfs/dbraw/zinc/54/82/53/552548253.db2.gz KZGGJXYNAQUSLS-JTQLQIEISA-N 1 0 377.229 2.568 20 0 GFADRO C[C@H](C(=O)NCC1CC[NH+](Cc2cccs2)CC1)N(C)CC(F)(F)F ZINC000192196898 552555265 /nfs/dbraw/zinc/55/52/65/552555265.db2.gz VWWWTRGLPWIJPJ-CYBMUJFWSA-N 1 0 377.476 2.959 20 0 GFADRO CC[C@H](CO)[NH+]1CCN(C(=O)Nc2cc(C)c(Br)c(C)c2)CC1 ZINC000192419209 552562683 /nfs/dbraw/zinc/56/26/83/552562683.db2.gz QLUIYACATIRGFF-OAHLLOKOSA-N 1 0 384.318 2.986 20 0 GFADRO Cc1cc(NC(=O)C(=O)NCCC[NH+]2CCCC2)cc(C)c1Br ZINC000192449395 552564069 /nfs/dbraw/zinc/56/40/69/552564069.db2.gz HOUBSFIVFSXAMI-UHFFFAOYSA-N 1 0 382.302 2.607 20 0 GFADRO Cc1nc(NC(=O)C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)ccc1Br ZINC000192802275 552974029 /nfs/dbraw/zinc/97/40/29/552974029.db2.gz NFTMYNDVKAXXPX-UHFFFAOYSA-N 1 0 397.317 2.516 20 0 GFADRO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1cc(OC)c(OC)cc1Cl ZINC000192820919 552974403 /nfs/dbraw/zinc/97/44/03/552974403.db2.gz UUMJXTSLFOICRO-QWHCGFSZSA-N 1 0 388.917 2.605 20 0 GFADRO COc1cc(Cl)c(S(=O)(=O)NCC[N@H+](C)C2CCCC2)cc1OC ZINC000192818381 552974513 /nfs/dbraw/zinc/97/45/13/552974513.db2.gz BCEZJAGDPGVUFH-UHFFFAOYSA-N 1 0 376.906 2.510 20 0 GFADRO C[C@@H](O)C[N@@H+]1CCN(Cc2ncc(-c3cccc(Br)c3)o2)[C@@H](C)C1 ZINC000192811430 552974742 /nfs/dbraw/zinc/97/47/42/552974742.db2.gz NPDQXHUQCKAQPJ-UONOGXRCSA-N 1 0 394.313 2.991 20 0 GFADRO CN([C@@H]1CC[NH2+]C1)S(=O)(=O)c1cc(Br)c(Cl)cc1Cl ZINC000193271290 552988459 /nfs/dbraw/zinc/98/84/59/552988459.db2.gz LADOWIBRJSESMX-SSDOTTSWSA-N 1 0 388.114 2.738 20 0 GFADRO Cc1cc(NC(=O)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)ncc1Br ZINC000193273511 552988578 /nfs/dbraw/zinc/98/85/78/552988578.db2.gz QUJZGTFUOCXVBV-CYBMUJFWSA-N 1 0 399.333 2.574 20 0 GFADRO C[C@H](C[NH3+])N(C)S(=O)(=O)c1cc(Br)c(Cl)cc1Cl ZINC000193281965 552988964 /nfs/dbraw/zinc/98/89/64/552988964.db2.gz CYWCBASFQCRBLD-ZCFIWIBFSA-N 1 0 376.103 2.724 20 0 GFADRO C[C@H](C(=O)Nc1ccc(Cl)cc1)S(=O)(=O)Cc1cn2ccccc2n1 ZINC000193313309 552990127 /nfs/dbraw/zinc/99/01/27/552990127.db2.gz NNQNFQNNNZZFPQ-GFCCVEGCSA-N 1 0 377.853 2.930 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)NC1(C)CC[NH2+]CC1 ZINC000193365266 552991180 /nfs/dbraw/zinc/99/11/80/552991180.db2.gz WOYODLFPKVLZDF-AWEZNQCLSA-N 1 0 384.567 2.609 20 0 GFADRO CC1(CNS(=O)(=O)c2cc(Cl)c(Br)cc2F)CC[NH2+]CC1 ZINC000193375850 552991563 /nfs/dbraw/zinc/99/15/63/552991563.db2.gz OSKMIKXPDOHDMX-UHFFFAOYSA-N 1 0 399.713 2.910 20 0 GFADRO C[C@@H]1CC[NH2+]C[C@H]1NS(=O)(=O)c1c(Cl)cc(F)cc1Br ZINC000193413467 552992904 /nfs/dbraw/zinc/99/29/04/552992904.db2.gz NZKKFAVREYMDHO-RDDDGLTNSA-N 1 0 385.686 2.518 20 0 GFADRO O=S(=O)(c1c(F)c(F)cc(F)c1F)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000193743081 553002092 /nfs/dbraw/zinc/00/20/92/553002092.db2.gz MEBUGCVDGQLETG-LLVKDONJSA-N 1 0 380.407 2.882 20 0 GFADRO Cn1ccc(N2CCC[C@@H]([NH2+][C@@H]3CCc4ccc(Br)cc43)C2=O)n1 ZINC000193993920 553009555 /nfs/dbraw/zinc/00/95/55/553009555.db2.gz PRSXCWQHZLLTLY-HZPDHXFCSA-N 1 0 389.297 2.955 20 0 GFADRO C[N@@H+]1CCC[C@H]1CNC(=O)CCc1nc(-c2cc(Br)cs2)no1 ZINC000194690548 553026972 /nfs/dbraw/zinc/02/69/72/553026972.db2.gz XREMRCSLUSPQMY-NSHDSACASA-N 1 0 399.314 2.704 20 0 GFADRO [NH3+]CCCCNS(=O)(=O)c1csc(-c2ccc(Br)cc2)n1 ZINC000194743448 553028783 /nfs/dbraw/zinc/02/87/83/553028783.db2.gz KXKIHVRYBXDMJU-UHFFFAOYSA-N 1 0 390.328 2.590 20 0 GFADRO CC[N@H+](C)CCNS(=O)(=O)c1cc(C(F)(F)F)ccc1Br ZINC000194771814 553029508 /nfs/dbraw/zinc/02/95/08/553029508.db2.gz QARNYLWSGVHXCJ-UHFFFAOYSA-N 1 0 389.237 2.698 20 0 GFADRO CN(CC[NH+](C)C)S(=O)(=O)c1cc(C(F)(F)F)ccc1Br ZINC000194790523 553030045 /nfs/dbraw/zinc/03/00/45/553030045.db2.gz YNVBWLXKSSERQM-UHFFFAOYSA-N 1 0 389.237 2.650 20 0 GFADRO [NH3+]CCc1nc(C(=O)N2CCO[C@@H](c3ccccc3Br)C2)cs1 ZINC000194792147 553030074 /nfs/dbraw/zinc/03/00/74/553030074.db2.gz XVONBSOGKRCBMB-CQSZACIVSA-N 1 0 396.310 2.621 20 0 GFADRO C[C@H]([NH3+])CNC(=O)c1nn(-c2ccc(Br)cc2)c2c1CCCC2 ZINC000194866397 553032171 /nfs/dbraw/zinc/03/21/71/553032171.db2.gz SYQMUWMJFYFCCT-NSHDSACASA-N 1 0 377.286 2.591 20 0 GFADRO Cc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000195274591 553043880 /nfs/dbraw/zinc/04/38/80/553043880.db2.gz VOCWDHJNNXWTAG-OKILXGFUSA-N 1 0 379.291 2.838 20 0 GFADRO C[C@H]([NH3+])[C@H]1CN(Cc2ccc(Br)c(Br)c2)CCO1 ZINC000220328831 553055046 /nfs/dbraw/zinc/05/50/46/553055046.db2.gz PCWDZYOJMSYUMY-TVQRCGJNSA-N 1 0 378.108 2.760 20 0 GFADRO O=C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cc(Cl)ccc1I ZINC000226228296 553061009 /nfs/dbraw/zinc/06/10/09/553061009.db2.gz DZMQTYDHWNCHKA-ZACCUICWSA-N 1 0 390.652 2.957 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)c2ccc(F)cc2I)C1 ZINC000226265747 553061320 /nfs/dbraw/zinc/06/13/20/553061320.db2.gz HMFADQRGDOIFLH-UWVGGRQHSA-N 1 0 376.213 2.630 20 0 GFADRO C[N@@H+]1CCC[C@H](NC(=O)c2ccc(I)c(Cl)c2)C1 ZINC000226789969 553062183 /nfs/dbraw/zinc/06/21/83/553062183.db2.gz QBEXJXDJSRCWFL-JTQLQIEISA-N 1 0 378.641 2.769 20 0 GFADRO CC(C)[NH+](CCNS(=O)(=O)c1ccc(Br)c(F)c1)C(C)C ZINC000230590665 553065244 /nfs/dbraw/zinc/06/52/44/553065244.db2.gz VUOZCXXKPKYMRD-UHFFFAOYSA-N 1 0 381.311 2.985 20 0 GFADRO CC[C@H]1C[N@H+](C)CCCN1S(=O)(=O)c1ccc(C)cc1Br ZINC000234110382 553067377 /nfs/dbraw/zinc/06/73/77/553067377.db2.gz AHRCUUNMGNKAPG-ZDUSSCGKSA-N 1 0 375.332 2.862 20 0 GFADRO C[C@H]1C[C@@H](NC(=O)c2ccc(I)c(Cl)c2)CC[NH2+]1 ZINC000235685240 553068441 /nfs/dbraw/zinc/06/84/41/553068441.db2.gz YTCFAUNXDZQGTJ-WPRPVWTQSA-N 1 0 378.641 2.815 20 0 GFADRO CC(C)[C@H]([NH3+])CCN(C)C(=O)c1ccc(I)c(F)c1 ZINC000236618142 553069939 /nfs/dbraw/zinc/06/99/39/553069939.db2.gz FQPHGYQFWRBXSL-CYBMUJFWSA-N 1 0 378.229 2.876 20 0 GFADRO CCC(CC)(C[NH3+])C(=O)NCCC(=O)Nc1cc(Br)ccc1C ZINC000236660711 553070625 /nfs/dbraw/zinc/07/06/25/553070625.db2.gz JEQKLNWBNQUJSU-UHFFFAOYSA-N 1 0 384.318 2.967 20 0 GFADRO CCOc1ccc(S(=O)(=O)N[C@H]2CCCC[C@@H]2C[NH3+])cc1Br ZINC000236866118 553072049 /nfs/dbraw/zinc/07/20/49/553072049.db2.gz VUPUPAIKDSNPPN-RISCZKNCSA-N 1 0 391.331 2.644 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)N[C@@H]1CCC[C@@H]1C[NH3+] ZINC000236829733 553072040 /nfs/dbraw/zinc/07/20/40/553072040.db2.gz SGSQIWFSGVIAGO-RBSFLKMASA-N 1 0 384.567 2.595 20 0 GFADRO CCc1nc(C(=O)NC[C@H]2CCC[NH2+]C2)nn1-c1c(Cl)cccc1Cl ZINC000237026916 553073657 /nfs/dbraw/zinc/07/36/57/553073657.db2.gz KMSDQBSMXUODTG-NSHDSACASA-N 1 0 382.295 2.866 20 0 GFADRO C[NH2+]C[C@H]1CCCN(C(=O)c2nn(-c3ccc(F)cc3)cc2Br)C1 ZINC000237087438 553074368 /nfs/dbraw/zinc/07/43/68/553074368.db2.gz RJMGUJPCGZNSFT-GFCCVEGCSA-N 1 0 395.276 2.846 20 0 GFADRO C[NH2+]CC1CCN(C(=O)[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)CC1 ZINC000237058603 553074407 /nfs/dbraw/zinc/07/44/07/553074407.db2.gz UOSQKOPCOLOPQL-AWEZNQCLSA-N 1 0 384.307 2.804 20 0 GFADRO COc1ccc(Br)cc1C(=O)CCC(=O)N[C@@H](C[NH3+])CC(C)C ZINC000237111151 553074894 /nfs/dbraw/zinc/07/48/94/553074894.db2.gz BTSHWLJXMYGLBQ-CYBMUJFWSA-N 1 0 385.302 2.910 20 0 GFADRO COc1ccc(Br)cc1C(=O)CCC(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000237110713 553074993 /nfs/dbraw/zinc/07/49/93/553074993.db2.gz WKDVIQBAAYAJGO-CYBMUJFWSA-N 1 0 397.313 2.927 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000237376771 553076935 /nfs/dbraw/zinc/07/69/35/553076935.db2.gz ZQIYWDNWAWMYJO-NEPJUHHUSA-N 1 0 377.286 2.766 20 0 GFADRO COc1ccc(C(=O)N2CCCC[C@@H]2[C@H](C)[NH3+])c(I)c1 ZINC000237350345 553077094 /nfs/dbraw/zinc/07/70/94/553077094.db2.gz VSTADDZQZWFIFP-IINYFYTJSA-N 1 0 388.249 2.642 20 0 GFADRO COCC[NH2+]CCNC(=O)c1ccc(COc2cccc(Br)c2)o1 ZINC000237334155 553077210 /nfs/dbraw/zinc/07/72/10/553077210.db2.gz FVOLDZHCBDAFKS-UHFFFAOYSA-N 1 0 397.269 2.587 20 0 GFADRO Cc1ccc(O[C@H](C)C(=O)N2CCC(OCCC[NH3+])CC2)c(Br)c1 ZINC000237446477 553077639 /nfs/dbraw/zinc/07/76/39/553077639.db2.gz KTMONIIXRIHJSL-CQSZACIVSA-N 1 0 399.329 2.881 20 0 GFADRO C[C@@H]1C[NH2+]CCN1C(=O)CCc1ncc(-c2ccccc2Br)o1 ZINC000237449629 553077642 /nfs/dbraw/zinc/07/76/42/553077642.db2.gz HXJQMSFFTLQHGT-GFCCVEGCSA-N 1 0 378.270 2.857 20 0 GFADRO C[C@@H](CC(=O)NCCC(=O)Nc1ccc(Br)cc1)[C@@H]1CCC[NH2+]C1 ZINC000237418153 553077673 /nfs/dbraw/zinc/07/76/73/553077673.db2.gz OIWRALSFSWPUPG-UONOGXRCSA-N 1 0 396.329 2.920 20 0 GFADRO C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)[C@@H]2CCCC[NH2+]2)CC1 ZINC000237424754 553077682 /nfs/dbraw/zinc/07/76/82/553077682.db2.gz AUSNQUFCZJPHGL-PBHICJAKSA-N 1 0 380.330 2.796 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)c2cnn(-c3cccc(Br)c3)c2)C1 ZINC000237457579 553078053 /nfs/dbraw/zinc/07/80/53/553078053.db2.gz JQUVWYVGCUZQHZ-STQMWFEESA-N 1 0 377.286 2.834 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)c2cnn(-c3ccc(Br)cc3)c2)C1 ZINC000237510684 553078820 /nfs/dbraw/zinc/07/88/20/553078820.db2.gz NDDCXWMGOXXAQG-QWHCGFSZSA-N 1 0 377.286 2.834 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)c1ccc(C[NH3+])o1 ZINC000237559666 553079272 /nfs/dbraw/zinc/07/92/72/553079272.db2.gz SFSBLZMQYYMXEK-UHFFFAOYSA-N 1 0 380.242 2.568 20 0 GFADRO Cc1nc(CCC(=O)N2CC[C@@H]([NH3+])C2)oc1-c1ccc(Br)cc1 ZINC000237624675 553080054 /nfs/dbraw/zinc/08/00/54/553080054.db2.gz QNDSGDYUKSPRMC-CQSZACIVSA-N 1 0 378.270 2.905 20 0 GFADRO O=C([C@H]1CCCC[NH2+]1)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000237706540 553080359 /nfs/dbraw/zinc/08/03/59/553080359.db2.gz ZBXLSVWRVHXCRU-CYBMUJFWSA-N 1 0 376.810 2.545 20 0 GFADRO O=C(NCC[C@H]1CCC[NH2+]C1)c1nn(-c2ccc(F)cc2)cc1Br ZINC000237701788 553080395 /nfs/dbraw/zinc/08/03/95/553080395.db2.gz NTCXROUCYNWFHT-GFCCVEGCSA-N 1 0 395.276 2.893 20 0 GFADRO O=C(NC[C@@H]1CCCC[NH2+]1)[C@@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl ZINC000237713553 553081180 /nfs/dbraw/zinc/08/11/80/553081180.db2.gz DBUKNNCCHVQHGV-BBRMVZONSA-N 1 0 384.307 2.856 20 0 GFADRO O=C(NCCc1ccc(F)c(Br)c1)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000237751742 553081245 /nfs/dbraw/zinc/08/12/45/553081245.db2.gz HJAYRZOUVLAOBZ-KRWDZBQOSA-N 1 0 377.257 2.961 20 0 GFADRO C[C@H]1CN(C(=O)c2nn(-c3cccc(Br)c3)c3c2CCC3)CC[NH2+]1 ZINC000237771981 553081682 /nfs/dbraw/zinc/08/16/82/553081682.db2.gz YVFMCHINBCDNQH-LBPRGKRZSA-N 1 0 389.297 2.557 20 0 GFADRO Cc1c(C(=O)NCCSc2ccc(Cl)cc2)nnn1C1CC[NH2+]CC1 ZINC000237791118 553081908 /nfs/dbraw/zinc/08/19/08/553081908.db2.gz LCSGFMSDYMPSMF-UHFFFAOYSA-N 1 0 379.917 2.687 20 0 GFADRO [NH3+][C@@H]1CC[C@@H](C(=O)N2CCC(C(=O)Nc3ccc(Br)cc3)CC2)C1 ZINC000237933109 553084102 /nfs/dbraw/zinc/08/41/02/553084102.db2.gz UPDZRFZIBMBPRE-UKRRQHHQSA-N 1 0 394.313 2.754 20 0 GFADRO [NH3+]C[C@@H](C(=O)N[C@@H]1CCN(c2ccc(Br)cc2)C1)c1ccccc1 ZINC000238035186 553085261 /nfs/dbraw/zinc/08/52/61/553085261.db2.gz FBTXTUHEPMXDGF-SJLPKXTDSA-N 1 0 388.309 2.887 20 0 GFADRO [NH3+][C@H]1CCC[C@H](C(=O)Nc2cc(Br)ccc2N2CCOCC2)C1 ZINC000238047865 553085611 /nfs/dbraw/zinc/08/56/11/553085611.db2.gz MDFAMGDIRHLWDF-JSGCOSHPSA-N 1 0 382.302 2.742 20 0 GFADRO NC(=O)CC[C@@H]1CCC[N@H+](C[C@@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000245397211 553089276 /nfs/dbraw/zinc/08/92/76/553089276.db2.gz OHVCUCDQFMZOBX-GXTWGEPZSA-N 1 0 375.296 2.711 20 0 GFADRO COc1ccc(Cl)cc1N1CC[C@H]([NH2+][C@H]2CCCC[C@@H]2S(C)(=O)=O)C1 ZINC000245615018 553094019 /nfs/dbraw/zinc/09/40/19/553094019.db2.gz MJWGKBVBHCPLGS-MPGHIAIKSA-N 1 0 386.945 2.873 20 0 GFADRO C[C@@H]1CC[N@H+](C[C@H](O)COc2ccc(Br)cc2)C[C@H]1n1ccnc1 ZINC000245716601 553095558 /nfs/dbraw/zinc/09/55/58/553095558.db2.gz UFBRQZQEVNLOHS-UWWQBHOKSA-N 1 0 394.313 2.968 20 0 GFADRO O=C1CC[C@@H]2C[N@H+](C[C@H](O)c3cccc(Br)c3)CC[C@@H]2N1C1CC1 ZINC000245788288 553096758 /nfs/dbraw/zinc/09/67/58/553096758.db2.gz NGIFSBXUOBCHOW-JLSDUUJJSA-N 1 0 393.325 2.958 20 0 GFADRO C[N@@H+]1CC[C@@H](CNC(=O)CNCC(F)(F)F)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245759362 553096906 /nfs/dbraw/zinc/09/69/06/553096906.db2.gz ZEJQJPGDRHMVQG-XHDPSFHLSA-N 1 0 381.801 2.740 20 0 GFADRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)Cc1cccc(I)c1 ZINC000246047908 553101799 /nfs/dbraw/zinc/10/17/99/553101799.db2.gz TVOLPFKEXHLTHT-IUODEOHRSA-N 1 0 386.277 2.632 20 0 GFADRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1c(F)cccc1I ZINC000246076456 553102222 /nfs/dbraw/zinc/10/22/22/553102222.db2.gz YUIUHYUCPSLFEL-ZWNOBZJWSA-N 1 0 390.240 2.843 20 0 GFADRO C[N@@H+]1CCC[C@H]1CNC(=O)[C@H](c1ccc(Br)cc1)N1CCCC1 ZINC000246096092 553102322 /nfs/dbraw/zinc/10/23/22/553102322.db2.gz LTGCFPIGOQHAPS-IRXDYDNUSA-N 1 0 380.330 2.796 20 0 GFADRO Cc1ccc(S(=O)(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)cc1Br ZINC000246165160 553103302 /nfs/dbraw/zinc/10/33/02/553103302.db2.gz MEHJDDITRFHLPI-IUODEOHRSA-N 1 0 375.332 2.718 20 0 GFADRO O=C(C[C@H]1CCC[NH2+]1)N[C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000246174746 553103747 /nfs/dbraw/zinc/10/37/47/553103747.db2.gz BNYMHXYPMQVLGH-VXGBXAGGSA-N 1 0 376.810 2.591 20 0 GFADRO Brc1cc(CN2CCS[C@H]3COCC[C@H]32)cc2c1OCCO2 ZINC000246796316 553113441 /nfs/dbraw/zinc/11/34/41/553113441.db2.gz QQPFJQPZIQWSJG-HIFRSBDPSA-N 1 0 386.311 2.927 20 0 GFADRO C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+]1CC[C@@]2(CCOC2)C1 ZINC000246796323 553113556 /nfs/dbraw/zinc/11/35/56/553113556.db2.gz CWTJXDXMWOLHSC-KBXCAEBGSA-N 1 0 381.314 2.908 20 0 GFADRO NC(=O)[C@@H](c1ccc(Br)cc1F)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246911497 553115253 /nfs/dbraw/zinc/11/52/53/553115253.db2.gz PTPJLWUDGQXKOZ-BLLLJJGKSA-N 1 0 384.293 2.532 20 0 GFADRO O[C@H](COc1ccc(Br)cc1)C[N@@H+]1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000248147664 553127547 /nfs/dbraw/zinc/12/75/47/553127547.db2.gz QIZFDPKZAJZQAV-ZVZYQTTQSA-N 1 0 384.314 2.816 20 0 GFADRO CC[C@@H](C)CN(CC)CC(=O)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1 ZINC000248369470 553128891 /nfs/dbraw/zinc/12/88/91/553128891.db2.gz WHOFHJWIZSTWHX-CVEARBPZSA-N 1 0 386.583 2.632 20 0 GFADRO CCOC(=O)c1c(C)c(C)sc1NC(=O)C[C@H](C)[NH2+][C@@H](C)C[S@@](C)=O ZINC000248496341 553130501 /nfs/dbraw/zinc/13/05/01/553130501.db2.gz QRXXTPYOIWXDRH-MSMXYLSWSA-N 1 0 388.555 2.615 20 0 GFADRO CCOCCC[N@@H+]1CC[C@H](NS(=O)(=O)c2c(F)cccc2Cl)[C@@H](C)C1 ZINC000248640501 553132465 /nfs/dbraw/zinc/13/24/65/553132465.db2.gz MCMKLVWVDXFIPR-BBRMVZONSA-N 1 0 392.924 2.894 20 0 GFADRO C[C@H](CNC(=O)C(=O)Nc1ccc(Br)cc1)[N@@H+]1CCC[C@H](C)C1 ZINC000248876077 553136626 /nfs/dbraw/zinc/13/66/26/553136626.db2.gz NKYGLLSLCAIGNT-QWHCGFSZSA-N 1 0 382.302 2.624 20 0 GFADRO C[C@@H]1CC[N@H+](C[C@@H](O)COc2ccc(Cl)cc2Br)[C@@H]1CO ZINC000249008232 553137810 /nfs/dbraw/zinc/13/78/10/553137810.db2.gz ZSWAGQHXUKHMSJ-MPKXVKKWSA-N 1 0 378.694 2.545 20 0 GFADRO COC(=O)c1cccc(NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c1Br ZINC000249105445 553138920 /nfs/dbraw/zinc/13/89/20/553138920.db2.gz VHQPTAFMAZYAPZ-NEPJUHHUSA-N 1 0 396.285 2.936 20 0 GFADRO C[C@H](O)C[N@@H+]1CCN(CC(=O)N[C@@H](C)c2ccc(Cl)c(Cl)c2)[C@H](C)C1 ZINC000249208613 553141160 /nfs/dbraw/zinc/14/11/60/553141160.db2.gz CGFIMSLFJZNLGD-RDBSUJKOSA-N 1 0 388.339 2.558 20 0 GFADRO COCCO[C@@H]1CCN([C@H](C)C(=O)Nc2ccc(Br)c(C)c2)C1 ZINC000249344542 553142310 /nfs/dbraw/zinc/14/23/10/553142310.db2.gz JLKJEQRGHGZNOO-UKRRQHHQSA-N 1 0 385.302 2.822 20 0 GFADRO C[C@H](Cc1ccc(Br)cc1)C(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000249408550 553142973 /nfs/dbraw/zinc/14/29/73/553142973.db2.gz UUDOSEVURMHXMK-HUUCEWRRSA-N 1 0 397.357 2.931 20 0 GFADRO C[C@@H]1CN(C[C@H]2CCCN2C(=O)c2cc(Br)ccc2O)C[C@H](C)O1 ZINC000252735692 553150456 /nfs/dbraw/zinc/15/04/56/553150456.db2.gz PNEPXRCTMMFDEW-VNHYZAJKSA-N 1 0 397.313 2.869 20 0 GFADRO C[C@@H]1CCN(S(=O)(=O)c2ccc(Br)cc2Cl)C[C@H]1C[NH3+] ZINC000253197030 553150919 /nfs/dbraw/zinc/15/09/19/553150919.db2.gz ULAULKXVWMJREP-NXEZZACHSA-N 1 0 381.723 2.708 20 0 GFADRO CS(=O)(=O)N(CC(F)(F)F)C1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000255388558 553152065 /nfs/dbraw/zinc/15/20/65/553152065.db2.gz MLCSUMSLQBYZQK-YVMONPNESA-N 1 0 376.444 2.988 20 0 GFADRO CC(C)(NC(=O)c1cn(C2CC[NH2+]CC2)nn1)c1ccc(Br)cc1 ZINC000261676312 553155790 /nfs/dbraw/zinc/15/57/90/553155790.db2.gz MGQPHEFBVGIACJ-UHFFFAOYSA-N 1 0 392.301 2.630 20 0 GFADRO COCC1(CNC(=O)CCOc2cccc(Cl)c2Cl)CC[NH2+]CC1 ZINC000261678946 553155879 /nfs/dbraw/zinc/15/58/79/553155879.db2.gz HEMIDMJBVHTEBU-UHFFFAOYSA-N 1 0 375.296 2.895 20 0 GFADRO CC(C)(C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1cccc(Cl)c1 ZINC000261713892 553157289 /nfs/dbraw/zinc/15/72/89/553157289.db2.gz BZPICGIRFGWXRO-AWEZNQCLSA-N 1 0 377.838 2.570 20 0 GFADRO COCC1(CNC(=O)[C@H](C)c2ccc(Br)s2)CC[NH2+]CC1 ZINC000261734280 553157570 /nfs/dbraw/zinc/15/75/70/553157570.db2.gz NCHDBEWFDOHSNU-LLVKDONJSA-N 1 0 375.332 2.747 20 0 GFADRO [NH3+]C[C@H]1CC[C@@H](C(=O)NCC2(c3ccc(Cl)cc3Cl)CCOCC2)O1 ZINC000261747249 553158175 /nfs/dbraw/zinc/15/81/75/553158175.db2.gz KXLFDIUBSMSGLP-CJNGLKHVSA-N 1 0 387.307 2.664 20 0 GFADRO COC(=O)C[C@@H](NC(=O)CC[C@@H]1CC[NH2+]C1)c1ccc(Br)cc1 ZINC000261774776 553158622 /nfs/dbraw/zinc/15/86/22/553158622.db2.gz JCXPIAYOZOEQDB-IUODEOHRSA-N 1 0 383.286 2.559 20 0 GFADRO C[C@@H](CNC(=O)[C@@H]([NH3+])C1CCOCC1)Sc1ccc(Br)cc1 ZINC000261805664 553160020 /nfs/dbraw/zinc/16/00/20/553160020.db2.gz OKXBDMVTMGEGNW-NHYWBVRUSA-N 1 0 387.343 2.800 20 0 GFADRO [NH3+][C@H]1CCc2nc(NC(=O)c3ccccc3I)sc2C1 ZINC000261834784 553160591 /nfs/dbraw/zinc/16/05/91/553160591.db2.gz UZNCLDVARGNNHS-QMMMGPOBSA-N 1 0 399.257 2.816 20 0 GFADRO Cn1ncc2c1CCC[C@H]2NC(=O)[C@](C)([NH3+])c1ccc(Br)cc1 ZINC000261851836 553161098 /nfs/dbraw/zinc/16/10/98/553161098.db2.gz VVFBKVSEEBICAN-RHSMWYFYSA-N 1 0 377.286 2.550 20 0 GFADRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)c1ccc(Cl)c(I)c1 ZINC000261858988 553161172 /nfs/dbraw/zinc/16/11/72/553161172.db2.gz QXZLYITWDCYKPD-DTWKUNHWSA-N 1 0 378.641 2.754 20 0 GFADRO [NH3+]C1(c2noc([C@H]3CCCCN3S(=O)(=O)c3cccs3)n2)CCCC1 ZINC000261874341 553161873 /nfs/dbraw/zinc/16/18/73/553161873.db2.gz VNPIWDDIXKLKCI-GFCCVEGCSA-N 1 0 382.511 2.775 20 0 GFADRO C[C@@H](NS(=O)(=O)c1cccc(Br)c1Cl)[C@H]1CCC[NH2+]C1 ZINC000262097265 553165968 /nfs/dbraw/zinc/16/59/68/553165968.db2.gz SKHJPIOZCVHGML-ZJUUUORDSA-N 1 0 381.723 2.769 20 0 GFADRO O=C(CCNC(=O)c1cccs1)N1CC[NH2+]C[C@H]1c1cccc(Cl)c1 ZINC000262139074 553166591 /nfs/dbraw/zinc/16/65/91/553166591.db2.gz XBEFNQGBFOSDSO-HNNXBMFYSA-N 1 0 377.897 2.695 20 0 GFADRO CCC[C@](C)([NH3+])C(=O)N[C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000262174272 553167054 /nfs/dbraw/zinc/16/70/54/553167054.db2.gz XZJPYSLPDJCQKK-NHYWBVRUSA-N 1 0 378.826 2.966 20 0 GFADRO C[C@@H](C[NH3+])C(=O)N1CCN(c2ccc(Br)cc2C(F)(F)F)CC1 ZINC000262473830 553171205 /nfs/dbraw/zinc/17/12/05/553171205.db2.gz YPAOJPWAOXJVMW-JTQLQIEISA-N 1 0 394.235 2.711 20 0 GFADRO CCCN(C(=O)CCNC(=O)Nc1ccc(Br)cc1)[C@H]1CC[NH2+]C1 ZINC000262568750 553172297 /nfs/dbraw/zinc/17/22/97/553172297.db2.gz FSQIRNDYUSJDMG-HNNXBMFYSA-N 1 0 397.317 2.561 20 0 GFADRO O=C(NCC[C@H]1CC[NH2+]C1)c1nn(-c2ccc(F)cc2)cc1Br ZINC000262573276 553172489 /nfs/dbraw/zinc/17/24/89/553172489.db2.gz IBZIADMJWJHTLF-LLVKDONJSA-N 1 0 381.249 2.503 20 0 GFADRO C[C@@H](NC(=O)[C@H](C)C1C[NH2+]C1)c1nc(-c2ccc(Br)cc2)no1 ZINC000262560000 553172563 /nfs/dbraw/zinc/17/25/63/553172563.db2.gz QMVKFOOUCRMMPP-NXEZZACHSA-N 1 0 379.258 2.532 20 0 GFADRO CCCOc1c(Br)cc(C(=O)NCC[C@H]2CC[NH2+]C2)cc1OC ZINC000262598759 553172991 /nfs/dbraw/zinc/17/29/91/553172991.db2.gz WHMXGNQBGFOGAX-GFCCVEGCSA-N 1 0 385.302 2.976 20 0 GFADRO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000262631100 553173391 /nfs/dbraw/zinc/17/33/91/553173391.db2.gz NQLJSMIVEMKDDA-NORZTCDRSA-N 1 0 384.307 2.980 20 0 GFADRO O=C(c1ccn([C@@H]2CCC[NH2+]C2)n1)N1CCc2cc(Br)ccc21 ZINC000262651795 553173532 /nfs/dbraw/zinc/17/35/32/553173532.db2.gz JMPRCLCDWFHTRQ-CQSZACIVSA-N 1 0 375.270 2.773 20 0 GFADRO CCOc1c(Br)cc(C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)cc1OC ZINC000262633582 553173683 /nfs/dbraw/zinc/17/36/83/553173683.db2.gz NRVADGGDQOUUHC-OLZOCXBDSA-N 1 0 383.286 2.823 20 0 GFADRO O=C(N[C@H]1CCc2c1cccc2Br)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000262703511 553174243 /nfs/dbraw/zinc/17/42/43/553174243.db2.gz CSBLZGCNJAOXJQ-WBMJQRKESA-N 1 0 389.297 2.987 20 0 GFADRO O=C(NCCc1ccc(F)c(Br)c1)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000262718681 553174694 /nfs/dbraw/zinc/17/46/94/553174694.db2.gz HKLUNCGIKZUSOL-CYBMUJFWSA-N 1 0 395.276 2.682 20 0 GFADRO CCOc1cc(Br)c(CC(=O)N2CC[NH2+][C@H](C)[C@H]2C)cc1OCC ZINC000262850342 553177225 /nfs/dbraw/zinc/17/72/25/553177225.db2.gz ZMVKUQHSTGDCED-CHWSQXEVSA-N 1 0 399.329 2.998 20 0 GFADRO C[C@@H](Cc1cccc(Br)c1)NC(=O)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000262858345 553177381 /nfs/dbraw/zinc/17/73/81/553177381.db2.gz WDDYOXJMQVBHQJ-BBRMVZONSA-N 1 0 391.313 2.931 20 0 GFADRO COc1ccc(Br)cc1NC(=O)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000262913129 553178130 /nfs/dbraw/zinc/17/81/30/553178130.db2.gz YSLFULQBTDMSSV-GFCCVEGCSA-N 1 0 379.258 2.831 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)[C@H]1CCCC[C@@]1(C)[NH3+] ZINC000262906318 553178518 /nfs/dbraw/zinc/17/85/18/553178518.db2.gz FGBFWVXAWJLCHE-CXAGYDPISA-N 1 0 382.302 2.720 20 0 GFADRO CCOc1cc(C[NH2+]CC(=O)NC2CC2)cc(Br)c1OC(F)F ZINC000263674568 553190991 /nfs/dbraw/zinc/19/09/91/553190991.db2.gz KNNCQWKTPRYPIY-UHFFFAOYSA-N 1 0 393.228 2.817 20 0 GFADRO COCC[N@H+](C)CCNC(=O)COc1ccc(C2SCCCS2)cc1 ZINC000263802377 553194052 /nfs/dbraw/zinc/19/40/52/553194052.db2.gz TWGUUWNBUPWJRI-UHFFFAOYSA-N 1 0 384.567 2.629 20 0 GFADRO COc1cc(Br)c(C[NH2+][C@@H]2CCN(CC(F)F)C2)c(OC)c1 ZINC000418142431 563899829 /nfs/dbraw/zinc/89/98/29/563899829.db2.gz YEUAXTAWWFLVQC-SNVBAGLBSA-N 1 0 379.245 2.895 20 0 GFADRO Cc1cc(CNC(=O)N[C@@H]2CC[NH2+][C@H](C)C2)ccc1I ZINC000418144017 563899837 /nfs/dbraw/zinc/89/98/37/563899837.db2.gz RZKVHCFWGJPELE-DGCLKSJQSA-N 1 0 387.265 2.539 20 0 GFADRO CC1(C)[NH2+]CC[C@@H]1NC(=O)c1ccc(I)cc1Cl ZINC000449758216 564200322 /nfs/dbraw/zinc/20/03/22/564200322.db2.gz ZLNLLQWWLAORQJ-NSHDSACASA-N 1 0 378.641 2.815 20 0 GFADRO COCC[N@@H+]1CC[C@H](NC(=O)c2c(Cl)cc(F)cc2Br)C1 ZINC000449846745 564205853 /nfs/dbraw/zinc/20/58/53/564205853.db2.gz AJTLGUKSADXLJR-JTQLQIEISA-N 1 0 379.657 2.692 20 0 GFADRO C[NH+](C)C[C@H]1CN(C(=O)COc2c(Cl)cc(Cl)cc2Cl)CCO1 ZINC000449917833 564208406 /nfs/dbraw/zinc/20/84/06/564208406.db2.gz WBZSLJLFUDAPSW-NSHDSACASA-N 1 0 381.687 2.815 20 0 GFADRO CC[NH+](CC)C[C@H](C)NC(=O)c1c(F)cccc1I ZINC000472059996 564212085 /nfs/dbraw/zinc/21/20/85/564212085.db2.gz YUIVPXDSPSUWEM-JTQLQIEISA-N 1 0 378.229 2.890 20 0 GFADRO C[C@@H]1CN(C[C@@H](O)C[NH2+]Cc2cccc(Br)c2Cl)C[C@@H](C)O1 ZINC000564855980 564252811 /nfs/dbraw/zinc/25/28/11/564252811.db2.gz JHOZEQCCFRYCCN-BZPMIXESSA-N 1 0 391.737 2.662 20 0 GFADRO O=C(NC[C@@H]1CCC[N@H+]1CCCO)c1c(Cl)cc(F)cc1Br ZINC000452778971 564431626 /nfs/dbraw/zinc/43/16/26/564431626.db2.gz ADFCCAGFTGEFHB-NSHDSACASA-N 1 0 393.684 2.818 20 0 GFADRO CC[C@H](CNS(C)(=O)=O)[NH2+][C@H](CC)c1cc(F)cc(Br)c1 ZINC000453276211 564452028 /nfs/dbraw/zinc/45/20/28/564452028.db2.gz FYJDKSSQTBOXJG-ZIAGYGMSSA-N 1 0 381.311 2.957 20 0 GFADRO Cc1cc(Br)c(S(=O)(=O)N2CCC[C@H](C)[C@@H]2CC[NH3+])s1 ZINC000652377900 565926764 /nfs/dbraw/zinc/92/67/64/565926764.db2.gz SATJCLOYDCRPLW-CABZTGNLSA-N 1 0 381.361 2.957 20 0 GFADRO [NH3+][C@@H]1CCC[C@H](CNc2ncnc3ccc(I)cc32)C1 ZINC000420290608 563262054 /nfs/dbraw/zinc/26/20/54/563262054.db2.gz UQXRWLGBMOVNRS-CMPLNLGQSA-N 1 0 382.249 3.164 20 0 GFADRO C[NH+](C)C1CCC(NS(=O)(=O)c2ccc(F)cc2Br)CC1 ZINC000420740448 563281497 /nfs/dbraw/zinc/28/14/97/563281497.db2.gz GOTMQNPXHCQMEL-UHFFFAOYSA-N 1 0 379.295 2.739 20 0 GFADRO Cc1ccc(C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc1I ZINC000374645028 563378996 /nfs/dbraw/zinc/37/89/96/563378996.db2.gz NAOGYALWPJTHEN-GUTXKFCHSA-N 1 0 384.261 2.799 20 0 GFADRO C[C@@H](CNS(=O)(=O)c1cc(Br)ccc1F)C[NH+]1CCCCC1 ZINC000303019478 563431904 /nfs/dbraw/zinc/43/19/04/563431904.db2.gz MKIVIKMZHHXDKE-LBPRGKRZSA-N 1 0 393.322 2.989 20 0 GFADRO Cc1cccc(C(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)c1I ZINC000312729679 563437067 /nfs/dbraw/zinc/43/70/67/563437067.db2.gz SFKXHFVLQLYSTG-LRDDRELGSA-N 1 0 384.261 2.801 20 0 GFADRO Cc1ccc(C[NH2+][C@H]2CCCC[C@@H]2NS(C)(=O)=O)cc1Br ZINC000330619448 563513808 /nfs/dbraw/zinc/51/38/08/563513808.db2.gz ZGPORLNFBSDHTM-GJZGRUSLSA-N 1 0 375.332 2.708 20 0 GFADRO CSc1ccc([C@H](CNC(=O)CCSc2n[nH]c(C)n2)[NH+](C)C)cc1 ZINC000294676662 563212644 /nfs/dbraw/zinc/21/26/44/563212644.db2.gz FSHUXUWWGXSKSQ-HNNXBMFYSA-N 1 0 379.555 2.736 20 0 GFADRO CSc1ccc([C@@H](CNC(=O)C(=O)Nc2cc(C)ns2)[NH+](C)C)cc1 ZINC000294701526 563213007 /nfs/dbraw/zinc/21/30/07/563213007.db2.gz WDSMVOYASFWNBN-CQSZACIVSA-N 1 0 378.523 2.531 20 0 GFADRO CC1(NC(=O)NCCc2c[nH]c3cccc(Br)c23)CC[NH2+]CC1 ZINC000418205706 563213257 /nfs/dbraw/zinc/21/32/57/563213257.db2.gz ZOOWANPEUHOGKC-UHFFFAOYSA-N 1 0 379.302 2.914 20 0 GFADRO O=C(N[C@H]1C[C@H](c2ccc(Br)cc2)C1)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000418204459 563213484 /nfs/dbraw/zinc/21/34/84/563213484.db2.gz PPIINLWMDCLWGW-KCYZZUKISA-N 1 0 378.314 2.946 20 0 GFADRO O=C(N[C@H]1C[C@H](c2ccc(Br)cc2)C1)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000418197127 563213510 /nfs/dbraw/zinc/21/35/10/563213510.db2.gz FFKHLHRJWRAAIS-JKQORVJESA-N 1 0 378.314 2.946 20 0 GFADRO CC1(C)Cc2ccc(Br)cc2[C@@H]1NC(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000418221196 563214055 /nfs/dbraw/zinc/21/40/55/563214055.db2.gz VKTJFYPWUUANBH-ZBFHGGJFSA-N 1 0 396.329 2.832 20 0 GFADRO C[N@H+](C[C@](C)(O)c1ccc(Br)cc1Cl)CC1(O)CCOCC1 ZINC000294753139 563215294 /nfs/dbraw/zinc/21/52/94/563215294.db2.gz XUNSMEDDRHVKCS-HNNXBMFYSA-N 1 0 392.721 2.783 20 0 GFADRO CCc1[nH]nc(C(=O)N2C[C@@H](C[NH+](C)C)Oc3ccccc32)c1Br ZINC000369476890 563215639 /nfs/dbraw/zinc/21/56/39/563215639.db2.gz PHEJEUYKQANSSM-LLVKDONJSA-N 1 0 393.285 2.704 20 0 GFADRO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)NCc1nc2c(cccc2Br)[nH]1 ZINC000418275183 563215749 /nfs/dbraw/zinc/21/57/49/563215749.db2.gz YSTBLGKPSMYAAE-PWSUYJOCSA-N 1 0 380.290 2.642 20 0 GFADRO CC(C)N(Cc1ccc(Br)cc1)C(=O)NCCCN1CC[NH2+]CC1 ZINC000418286609 563215872 /nfs/dbraw/zinc/21/58/72/563215872.db2.gz HZXQHJCNDUEQRG-UHFFFAOYSA-N 1 0 397.361 2.664 20 0 GFADRO COc1ccc(Br)c(CN(C)C(=O)N[C@H](C)[C@H]2CCC[NH2+]C2)c1 ZINC000418357807 563216654 /nfs/dbraw/zinc/21/66/54/563216654.db2.gz YOOUBCVBRBNNDE-OLZOCXBDSA-N 1 0 384.318 2.987 20 0 GFADRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)N(CCO)Cc1ccc(Br)s1 ZINC000418405808 563217004 /nfs/dbraw/zinc/21/70/04/563217004.db2.gz DRBPTXGUSDBREF-AAEUAGOBSA-N 1 0 390.347 2.532 20 0 GFADRO [NH3+]C[C@H](NC(=O)N1CCO[C@H](c2cc(F)c(Cl)cc2Cl)C1)C1CC1 ZINC000418412760 563217229 /nfs/dbraw/zinc/21/72/29/563217229.db2.gz YHBCLBCMGDULMB-GJZGRUSLSA-N 1 0 376.259 2.953 20 0 GFADRO CCC([NH3+])(CC)CNC(=O)NCc1noc(-c2cccc(Br)c2)n1 ZINC000418445263 563217705 /nfs/dbraw/zinc/21/77/05/563217705.db2.gz XZYLNBNOCFOLDZ-UHFFFAOYSA-N 1 0 396.289 2.816 20 0 GFADRO COc1ccc(NC(=O)CC[N@@H+]2CCCC[C@H](S(C)(=O)=O)C2)cc1Cl ZINC000277632584 563218009 /nfs/dbraw/zinc/21/80/09/563218009.db2.gz BLHKTLDIDLSFKC-AWEZNQCLSA-N 1 0 388.917 2.576 20 0 GFADRO CCCC[C@@H](C[NH3+])NC(=O)NCc1noc(-c2cccc(Br)c2)n1 ZINC000418437438 563217999 /nfs/dbraw/zinc/21/79/99/563217999.db2.gz CVGAJNIFPDZBAY-ZDUSSCGKSA-N 1 0 396.289 2.816 20 0 GFADRO CC(C)C[C@H](C[NH3+])NC(=O)NCc1noc(-c2cccc(Br)c2)n1 ZINC000418445900 563218100 /nfs/dbraw/zinc/21/81/00/563218100.db2.gz OXOJVTHUBGZNKF-CYBMUJFWSA-N 1 0 396.289 2.672 20 0 GFADRO [NH3+][C@H](CNC(=O)N(Cc1cccc(Br)c1)C1CCOCC1)C1CC1 ZINC000418501292 563218455 /nfs/dbraw/zinc/21/84/55/563218455.db2.gz QVUZULLHXLUEII-QGZVFWFLSA-N 1 0 396.329 2.877 20 0 GFADRO COCCN(Cc1sccc1Br)C(=O)NCC1([NH3+])CCC1 ZINC000418505749 563218481 /nfs/dbraw/zinc/21/84/81/563218481.db2.gz DQYTUFLWUWGGCO-UHFFFAOYSA-N 1 0 376.320 2.550 20 0 GFADRO CCOC[C@@H]1CC[N@H+](Cc2cc(Br)ccc2O[C@H](C)C(=O)NC)C1 ZINC000294864521 563219410 /nfs/dbraw/zinc/21/94/10/563219410.db2.gz PQYGLFKYVFZQCA-ZIAGYGMSSA-N 1 0 399.329 2.821 20 0 GFADRO C[C@@H]1C[N@H+](CCCNCc2cnc3ccc(Br)cn23)CCCO1 ZINC000277669040 563220216 /nfs/dbraw/zinc/22/02/16/563220216.db2.gz GAJGRIXXJQHGQI-CQSZACIVSA-N 1 0 381.318 2.687 20 0 GFADRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N[C@@H](CO)c1ccc(Cl)cc1C(F)(F)F ZINC000418603642 563220802 /nfs/dbraw/zinc/22/08/02/563220802.db2.gz WUEQJMGOHHKMJX-IIMNLJJBSA-N 1 0 379.810 2.689 20 0 GFADRO CS(=O)(=O)[C@H]1CCCC[N@H+](CCC(=O)Nc2ccc(Cl)cc2F)C1 ZINC000277695890 563221349 /nfs/dbraw/zinc/22/13/49/563221349.db2.gz HJURHSLNGGHBQA-ZDUSSCGKSA-N 1 0 376.881 2.707 20 0 GFADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1CC(=O)N(C)Cc1ccc(Cl)s1 ZINC000369705489 563221835 /nfs/dbraw/zinc/22/18/35/563221835.db2.gz YOUCDZNHOMNMRS-AWEZNQCLSA-N 1 0 385.961 2.545 20 0 GFADRO O=C(N[C@@H]1C[C@H]1C1CC[NH2+]CC1)N1CCc2c(Br)cccc2C1 ZINC000418657931 563221884 /nfs/dbraw/zinc/22/18/84/563221884.db2.gz IWANGKHCMYOMHN-DOTOQJQBSA-N 1 0 378.314 2.905 20 0 GFADRO C[C@@H](CCC[NH3+])NC(=O)N1CCN(CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000418679848 563222017 /nfs/dbraw/zinc/22/20/17/563222017.db2.gz BXSHZOCFGXNJHD-AWEZNQCLSA-N 1 0 387.355 2.991 20 0 GFADRO CC[C@H]([NH3+])CNC(=O)N1CCC[C@H]1c1ccccc1I ZINC000418714648 563222554 /nfs/dbraw/zinc/22/25/54/563222554.db2.gz QOSPHJOYUBAEBF-FZMZJTMJSA-N 1 0 387.265 2.875 20 0 GFADRO O=C(N[C@H]1C[NH2+]CCC1(F)F)N1CC[C@@H](c2cccc(Br)c2)C1 ZINC000418750888 563224301 /nfs/dbraw/zinc/22/43/01/563224301.db2.gz PMONALQGEKBXHP-OCCSQVGLSA-N 1 0 388.256 2.945 20 0 GFADRO CC(C)(COc1ncc(Cl)cc1Cl)NC(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000418763990 563224923 /nfs/dbraw/zinc/22/49/23/563224923.db2.gz KJIQXBCLJGKATI-JQWIXIFHSA-N 1 0 375.300 2.972 20 0 GFADRO CC(C)C[C@](C)(NC(=O)NC[C@@H]1C[NH2+]CCO1)c1cccc(Br)c1 ZINC000418768100 563224936 /nfs/dbraw/zinc/22/49/36/563224936.db2.gz ORAJBWCIYWBBLI-WMZOPIPTSA-N 1 0 398.345 2.998 20 0 GFADRO Cn1cc([C@H]2[C@H](CNC(=O)c3nc(Cl)ccc3Cl)CCC[N@@H+]2C)cn1 ZINC000369819466 563225872 /nfs/dbraw/zinc/22/58/72/563225872.db2.gz OCWVKGXUQQITEK-MEDUHNTESA-N 1 0 382.295 2.935 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)N[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000418819483 563226528 /nfs/dbraw/zinc/22/65/28/563226528.db2.gz QLEIWKHMSZTUJO-QOFRNUMZSA-N 1 0 384.307 2.551 20 0 GFADRO C[C@H](NC(=O)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1)c1cc(F)c(Cl)cc1Cl ZINC000418847933 563227179 /nfs/dbraw/zinc/22/71/79/563227179.db2.gz KFFWRYBRBUMBII-IVZWLZJFSA-N 1 0 376.259 2.696 20 0 GFADRO CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1([NH3+])C(=O)NC[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000369929869 563228924 /nfs/dbraw/zinc/22/89/24/563228924.db2.gz JMCQBCSSMSDGLL-LUXYFRNMSA-N 1 0 387.307 2.676 20 0 GFADRO C[C@@H]1CN(C(=O)C(=O)N[C@H]2C[C@H](c3ccc(Cl)c(Cl)c3)C2)CC[C@@H]1[NH3+] ZINC000418894516 563229637 /nfs/dbraw/zinc/22/96/37/563229637.db2.gz RJAAIKPKYPSUCV-VSBTWAGUSA-N 1 0 384.307 2.551 20 0 GFADRO C[NH2+]CCC1CCN(C(=O)C(=O)NCCc2c(Cl)cccc2Cl)CC1 ZINC000418937202 563231226 /nfs/dbraw/zinc/23/12/26/563231226.db2.gz FUKZJZUMTAMYSV-UHFFFAOYSA-N 1 0 386.323 2.500 20 0 GFADRO C[C@@H]([NH3+])C1CCN(C(=O)C(=O)NCCCc2ccc(Cl)cc2Cl)CC1 ZINC000419033472 563232159 /nfs/dbraw/zinc/23/21/59/563232159.db2.gz CKKXEIJPXPGVAQ-GFCCVEGCSA-N 1 0 386.323 2.628 20 0 GFADRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)NCCCc1ccc(Cl)cc1Cl ZINC000419034717 563232412 /nfs/dbraw/zinc/23/24/12/563232412.db2.gz DUHVSGKCUSXQLR-INIZCTEOSA-N 1 0 388.339 2.874 20 0 GFADRO C[NH2+]CC1CCN(C(=O)C(=O)NCCCc2ccc(Cl)cc2Cl)CC1 ZINC000419046057 563233010 /nfs/dbraw/zinc/23/30/10/563233010.db2.gz XHYLJMWYIBSVOF-UHFFFAOYSA-N 1 0 386.323 2.500 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N[C@@H]1CCc2c1ccc(Cl)c2Cl ZINC000419100312 563233837 /nfs/dbraw/zinc/23/38/37/563233837.db2.gz PTOKEKMMELFCQP-VQISRLSMSA-N 1 0 384.307 2.825 20 0 GFADRO C[C@H](NC(=O)C(=O)N[C@@H]1CCc2c1ccc(Cl)c2Cl)[C@H]1CCC[NH2+]C1 ZINC000419096532 563233871 /nfs/dbraw/zinc/23/38/71/563233871.db2.gz LXKMWEBAEJHFJG-ZIBATOQPSA-N 1 0 384.307 2.601 20 0 GFADRO CO[C@@H](C[NH2+][C@@H](C(N)=O)c1ccc(Br)cc1)Cc1ccccc1 ZINC000419213958 563235138 /nfs/dbraw/zinc/23/51/38/563235138.db2.gz JRDIJRGNQFROPP-IAGOWNOFSA-N 1 0 377.282 2.823 20 0 GFADRO O=C(NC[C@H]1CCC[C@@H]1[NH+]1CCOCC1)c1c(F)cccc1Br ZINC000370160397 563235780 /nfs/dbraw/zinc/23/57/80/563235780.db2.gz GKGPKJMGRZVVTJ-DOMZBBRYSA-N 1 0 385.277 2.819 20 0 GFADRO C[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000419279020 563236257 /nfs/dbraw/zinc/23/62/57/563236257.db2.gz IHTHJLPOHZTZQE-ZBEGNZNMSA-N 1 0 386.323 2.674 20 0 GFADRO NC(=O)[C@H]([NH2+][C@@H]1CCN(c2ccc(F)cc2)C1)c1ccc(Br)cc1 ZINC000419332383 563237231 /nfs/dbraw/zinc/23/72/31/563237231.db2.gz HPNOJOVJORNWCL-NVXWUHKLSA-N 1 0 392.272 2.983 20 0 GFADRO C[C@@H]1CN(C(=O)C2(c3cncc(Br)c3)CC2)CC[N@@H+](C2CC2)C1 ZINC000295252498 563238625 /nfs/dbraw/zinc/23/86/25/563238625.db2.gz FFMANAICKSGWIQ-ZDUSSCGKSA-N 1 0 378.314 2.818 20 0 GFADRO Cc1cc(N2CCC(NC(=O)c3cc(Br)ccc3O)CC2)ncn1 ZINC000370267654 563238772 /nfs/dbraw/zinc/23/87/72/563238772.db2.gz GCAYVLJRRQWLHH-UHFFFAOYSA-N 1 0 391.269 2.652 20 0 GFADRO Cc1nocc1C[N@@H+]1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000295262415 563239206 /nfs/dbraw/zinc/23/92/06/563239206.db2.gz HAFPNLKBFZSLBC-LBPRGKRZSA-N 1 0 379.258 2.991 20 0 GFADRO C[C@H](Oc1ccc(F)cc1Br)C(=O)N[C@H]1CCc2[nH]cnc2C1 ZINC000370340892 563240277 /nfs/dbraw/zinc/24/02/77/563240277.db2.gz MNGDUBKAPDIXPG-ONGXEEELSA-N 1 0 382.233 2.752 20 0 GFADRO C[C@H](CNC(=O)C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+])c1c(Cl)cccc1Cl ZINC000419521608 563241092 /nfs/dbraw/zinc/24/10/92/563241092.db2.gz RVRATDDQBOALSO-LALPHHSUSA-N 1 0 386.323 2.847 20 0 GFADRO C[C@@H](CNC(=O)C(=O)N1CCC([C@H](C)[NH3+])CC1)c1c(Cl)cccc1Cl ZINC000419521732 563241198 /nfs/dbraw/zinc/24/11/98/563241198.db2.gz SCNYWMXDXPEKBO-RYUDHWBXSA-N 1 0 386.323 2.799 20 0 GFADRO C[C@@H](NC(=O)N1C[C@H](C)[N@H+](CCO)C[C@H]1C)c1ccc(Br)cc1 ZINC000419517338 563241352 /nfs/dbraw/zinc/24/13/52/563241352.db2.gz IPSLUTBVTVSEFO-BFHYXJOUSA-N 1 0 384.318 2.607 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N[C@H](C)Cc2c(Cl)cccc2Cl)C1 ZINC000419554152 563241544 /nfs/dbraw/zinc/24/15/44/563241544.db2.gz GUMSAAQZUQWUDC-JHJVBQTASA-N 1 0 386.323 2.626 20 0 GFADRO COc1cc(Br)ccc1CCCN1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000370359956 563241946 /nfs/dbraw/zinc/24/19/46/563241946.db2.gz WZLAGWQUDZIMOY-QZTJIDSGSA-N 1 0 397.357 2.921 20 0 GFADRO C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)N1CC[NH+]([C@H]2CCSC2)CC1 ZINC000370408221 563242610 /nfs/dbraw/zinc/24/26/10/563242610.db2.gz YRSZXPPIFZORCO-IXDOHACOSA-N 1 0 379.595 2.923 20 0 GFADRO CC(C)[NH+]1CCC(N2CCN(C(=O)c3ccoc3Br)CC2)CC1 ZINC000278144733 563242874 /nfs/dbraw/zinc/24/28/74/563242874.db2.gz WDXACWRRFMAGFT-UHFFFAOYSA-N 1 0 384.318 2.673 20 0 GFADRO COc1ccc(C[N@@H+]2CC[C@]3(C2)CCCN(C)C3=O)c(Br)c1OC ZINC000370411218 563243477 /nfs/dbraw/zinc/24/34/77/563243477.db2.gz WWNAPUDEMGXSQJ-SFHVURJKSA-N 1 0 397.313 2.911 20 0 GFADRO [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)C(=O)NCc1cc(Cl)sc1Cl ZINC000419621517 563243951 /nfs/dbraw/zinc/24/39/51/563243951.db2.gz FTZLLGBPGKBPBY-DGQGSHBHSA-N 1 0 390.336 2.693 20 0 GFADRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)[C@@H]1CCCN1C(=O)c1ccc(Cl)s1 ZINC000370472496 563245015 /nfs/dbraw/zinc/24/50/15/563245015.db2.gz OJNPIYOFTAWAEH-BNOWGMLFSA-N 1 0 381.929 2.605 20 0 GFADRO O=C(Nc1cc(F)ccc1Br)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000370469802 563245126 /nfs/dbraw/zinc/24/51/26/563245126.db2.gz FKOXKGVGGSCGFF-HUUCEWRRSA-N 1 0 386.265 2.651 20 0 GFADRO C[C@H](CN(C)Cc1ccccc1)[NH2+]Cc1ccc(S(N)(=O)=O)c(Cl)c1 ZINC000419694404 563246175 /nfs/dbraw/zinc/24/61/75/563246175.db2.gz QBRTWKYMGMHBHJ-CQSZACIVSA-N 1 0 381.929 2.598 20 0 GFADRO O=C(NCCCCC[NH+]1CCCCC1)c1cc2c(s1)CCS(=O)(=O)C2 ZINC000370511283 563246473 /nfs/dbraw/zinc/24/64/73/563246473.db2.gz HAELNXUKRPRZOH-UHFFFAOYSA-N 1 0 384.567 2.605 20 0 GFADRO Cc1cccnc1CCC[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000419714171 563247251 /nfs/dbraw/zinc/24/72/51/563247251.db2.gz SOHNKZURGLPECQ-UHFFFAOYSA-N 1 0 398.326 2.522 20 0 GFADRO COCCO[C@@H]1C[C@@H](CO)C[N@H+](CCOc2cc(Cl)ccc2Cl)C1 ZINC000278315812 563250139 /nfs/dbraw/zinc/25/01/39/563250139.db2.gz NAPFWCOERHYVNO-UKRRQHHQSA-N 1 0 378.296 2.718 20 0 GFADRO CCC[C@@H](O)[C@@H](CO)[NH2+]Cc1c(C)nn(-c2ccc(Br)cc2)c1C ZINC000419832201 563251995 /nfs/dbraw/zinc/25/19/95/563251995.db2.gz VJTMSYXJLCWIEL-QZTJIDSGSA-N 1 0 396.329 2.863 20 0 GFADRO CCCN(Cc1ccccc1Br)C(=O)C(=O)NC1CCC([NH3+])CC1 ZINC000419885147 563252296 /nfs/dbraw/zinc/25/22/96/563252296.db2.gz YRQSIXPCODXGNR-UHFFFAOYSA-N 1 0 396.329 2.574 20 0 GFADRO CC(C)N(Cc1cccc(Br)c1)C(=O)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000419887959 563252626 /nfs/dbraw/zinc/25/26/26/563252626.db2.gz FLTAVGDOEYWPTG-HZPDHXFCSA-N 1 0 396.329 2.572 20 0 GFADRO O=C(NCc1ccccc1Br)NC[C@H]1CCC[C@H]1[NH+]1CCOCC1 ZINC000370759959 563253795 /nfs/dbraw/zinc/25/37/95/563253795.db2.gz PFNVDHBJUUHICJ-NVXWUHKLSA-N 1 0 396.329 2.749 20 0 GFADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NCc1c(Br)cnn1C ZINC000278421103 563254231 /nfs/dbraw/zinc/25/42/31/563254231.db2.gz QQQDDZUCDBLGOV-UHFFFAOYSA-N 1 0 378.318 2.855 20 0 GFADRO O=C1[C@@H]([NH2+]C2CCC3(CC2)OCCO3)CCN1c1cccc(Br)c1 ZINC000278416035 563254587 /nfs/dbraw/zinc/25/45/87/563254587.db2.gz IDWGJTWFIMWIRG-INIZCTEOSA-N 1 0 395.297 2.830 20 0 GFADRO C[NH+](C)CC[C@](C)(O)CNC(=O)c1cc(F)c(Br)cc1Cl ZINC000419991147 563255179 /nfs/dbraw/zinc/25/51/79/563255179.db2.gz GSKYRKRQJOJRKG-AWEZNQCLSA-N 1 0 381.673 2.674 20 0 GFADRO Cc1cc(C(=O)NC[C@@](C)(O)CC[NH+](C)C)cc(Cl)c1Br ZINC000419999247 563256032 /nfs/dbraw/zinc/25/60/32/563256032.db2.gz OFDLQCCUYZZEKB-HNNXBMFYSA-N 1 0 377.710 2.843 20 0 GFADRO CC[C@H](Cc1ccccc1Br)C(=O)NC[C@](C)(O)CC[NH+](C)C ZINC000420015844 563256586 /nfs/dbraw/zinc/25/65/86/563256586.db2.gz MHRBTUQVWXOXPP-RDTXWAMCSA-N 1 0 385.346 2.837 20 0 GFADRO C[C@H](c1ccccc1Br)N(C)C(=O)C(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000420012983 563256625 /nfs/dbraw/zinc/25/66/25/563256625.db2.gz BJJVIPOHITYFOJ-IOASZLSFSA-N 1 0 396.329 2.602 20 0 GFADRO CC(C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000420110328 563258011 /nfs/dbraw/zinc/25/80/11/563258011.db2.gz FNHARAMKKFOCNN-BLLLJJGKSA-N 1 0 386.323 2.845 20 0 GFADRO Cc1ncsc1CCS(=O)(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000295683512 563258019 /nfs/dbraw/zinc/25/80/19/563258019.db2.gz KOYGSNAESTZDII-UHFFFAOYSA-N 1 0 399.607 2.887 20 0 GFADRO CCCC[C@H](C[NH3+])NC(=O)C(=O)N(C)[C@H](C)c1ccccc1Br ZINC000420119222 563258644 /nfs/dbraw/zinc/25/86/44/563258644.db2.gz NHDLBMBNIMNHEJ-CHWSQXEVSA-N 1 0 384.318 2.602 20 0 GFADRO C[C@@H]1c2cc(Cl)cc(Cl)c2CCN1C(=O)C(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000420204948 563259764 /nfs/dbraw/zinc/25/97/64/563259764.db2.gz PCYNGDSLHJENNC-WZRBSPASSA-N 1 0 384.307 2.683 20 0 GFADRO Cn1cc([C@H]2[C@H](CNC(=O)c3ccc(Cl)nc3Cl)CCC[N@@H+]2C)cn1 ZINC000370911661 563259847 /nfs/dbraw/zinc/25/98/47/563259847.db2.gz NZHPIJRZYQHWQK-XHDPSFHLSA-N 1 0 382.295 2.935 20 0 GFADRO Cn1ncc(Br)c1C(=O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000295742933 563261162 /nfs/dbraw/zinc/26/11/62/563261162.db2.gz OXJWFIARVHPXRB-UHFFFAOYSA-N 1 0 377.286 2.531 20 0 GFADRO Cn1ncc(Br)c1CNCc1ccc(OCCC[NH+](C)C)cc1 ZINC000278549680 563261211 /nfs/dbraw/zinc/26/12/11/563261211.db2.gz UVQNDTPPOZTDMI-UHFFFAOYSA-N 1 0 381.318 2.803 20 0 GFADRO C[C@@H](O)C[N@@H+]1CCN(C(=O)Nc2ccc(OC(F)F)c(Cl)c2)[C@H](C)C1 ZINC000278575515 563262415 /nfs/dbraw/zinc/26/24/15/563262415.db2.gz JQFBBTOUVBEHLI-GHMZBOCLSA-N 1 0 377.819 2.860 20 0 GFADRO CN(Cc1ccccc1Br)C(=O)CN[C@H](C[NH3+])C1CCCCC1 ZINC000420365854 563262993 /nfs/dbraw/zinc/26/29/93/563262993.db2.gz SUSKAWIFOWVZRV-QGZVFWFLSA-N 1 0 382.346 2.905 20 0 GFADRO [NH3+][C@@H]1Cc2ccccc2N(CCS(=O)(=O)c2cccc(Br)c2)C1 ZINC000420396170 563263166 /nfs/dbraw/zinc/26/31/66/563263166.db2.gz CQPOXXHJBSPPOB-OAHLLOKOSA-N 1 0 395.322 2.613 20 0 GFADRO O=S(=O)(c1ccc(C(F)(F)F)c(F)c1)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420456840 563263643 /nfs/dbraw/zinc/26/36/43/563263643.db2.gz HINDVXXKZNKEFZ-IAQYHMDHSA-N 1 0 380.407 2.997 20 0 GFADRO O=S1(=O)CCCN1C1CCC([NH2+]Cc2ccc(Br)cc2)CC1 ZINC000371091895 563265149 /nfs/dbraw/zinc/26/51/49/563265149.db2.gz XRFYBPUNKABGFR-UHFFFAOYSA-N 1 0 387.343 2.885 20 0 GFADRO Cc1cc(S(=O)(=O)N[C@H]2CC[NH2+]CC2(C)C)c(C)cc1Br ZINC000420469082 563265214 /nfs/dbraw/zinc/26/52/14/563265214.db2.gz UXYJQQRPIKDQHK-AWEZNQCLSA-N 1 0 375.332 2.732 20 0 GFADRO [NH3+][C@@H]1CN(S(=O)(=O)c2ccccc2Br)C[C@H]1c1ccccc1F ZINC000420469284 563265263 /nfs/dbraw/zinc/26/52/63/563265263.db2.gz IXCKQCSZKQJIBU-SWLSCSKDSA-N 1 0 399.285 2.704 20 0 GFADRO Cc1cc(S(=O)(=O)N2CC[C@@H](C)[C@H](C[NH3+])C2)c(F)cc1Br ZINC000420472138 563265310 /nfs/dbraw/zinc/26/53/10/563265310.db2.gz BRWXLVKLUKLIHO-MWLCHTKSSA-N 1 0 379.295 2.502 20 0 GFADRO CN(C)c1ncc(Br)cc1C(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000371233654 563269225 /nfs/dbraw/zinc/26/92/25/563269225.db2.gz ZRUWUKQEGJPLEF-IUODEOHRSA-N 1 0 381.318 2.514 20 0 GFADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)c1ccc(F)c(Br)c1 ZINC000278830513 563272002 /nfs/dbraw/zinc/27/20/02/563272002.db2.gz JRVSGAZWOWCQMO-LBPRGKRZSA-N 1 0 385.277 2.914 20 0 GFADRO CN(Cc1ncc(Cl)n1C)C(=O)NC[C@H]1CC[N@H+](C)[C@@H]1c1cccs1 ZINC000371497260 563279265 /nfs/dbraw/zinc/27/92/65/563279265.db2.gz OHXXVABESOBIKS-WBMJQRKESA-N 1 0 381.933 2.969 20 0 GFADRO CCO[C@H](CC[NH+](C)C)CNC(=O)c1c(F)ccc(Br)c1F ZINC000278998769 563279392 /nfs/dbraw/zinc/27/93/92/563279392.db2.gz GHZPWXFZPLDICH-SNVBAGLBSA-N 1 0 379.245 2.814 20 0 GFADRO Cc1cn2c(n1)CC[C@H]([NH2+][C@H](C)C(=O)Nc1ccccc1Br)C2 ZINC000371491680 563279431 /nfs/dbraw/zinc/27/94/31/563279431.db2.gz UPSDBVKSSPDAFM-OLZOCXBDSA-N 1 0 377.286 2.886 20 0 GFADRO Cc1ccc(I)c(C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000371509202 563280154 /nfs/dbraw/zinc/28/01/54/563280154.db2.gz DDJUPFJPSRJKLE-QWHCGFSZSA-N 1 0 384.261 2.956 20 0 GFADRO COc1cc(NCC[NH2+]Cc2c(Br)c(C)nn2C)cc(OC)c1 ZINC000279102659 563283959 /nfs/dbraw/zinc/28/39/59/563283959.db2.gz JKLVIIXBLZOJOX-UHFFFAOYSA-N 1 0 383.290 2.710 20 0 GFADRO CN1CC[NH+](C[C@H]2CCCN(C(=O)NCCc3ccc(Cl)s3)C2)CC1 ZINC000371672641 563284260 /nfs/dbraw/zinc/28/42/60/563284260.db2.gz YYZYXXWMTUVJGV-OAHLLOKOSA-N 1 0 384.977 2.613 20 0 GFADRO CCOc1cc(Br)ccc1NC(=O)c1cc([C@H]2CC[NH2+]C2)[nH]n1 ZINC000279112537 563284571 /nfs/dbraw/zinc/28/45/71/563284571.db2.gz YQBPYUCOVKUGSC-JTQLQIEISA-N 1 0 379.258 2.900 20 0 GFADRO C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C1CCOCC1)c1nc(C(F)(F)F)cs1 ZINC000279132673 563285061 /nfs/dbraw/zinc/28/50/61/563285061.db2.gz YKDJZBAWESMEBL-ZYHUDNBSSA-N 1 0 377.432 2.983 20 0 GFADRO Cc1ccc(C[NH2+][C@H](C)CC(=O)Nc2cccc(Br)c2)c(=O)n1C ZINC000279155644 563285909 /nfs/dbraw/zinc/28/59/09/563285909.db2.gz AYBJUHIBAKPKDE-GFCCVEGCSA-N 1 0 392.297 2.963 20 0 GFADRO O=C(Nc1ccc(Br)cc1)[C@H]1CCC[N@@H+]1CC[C@H]1CCOC1=O ZINC000371892056 563290258 /nfs/dbraw/zinc/29/02/58/563290258.db2.gz QQKVASCOQWKCTE-SWLSCSKDSA-N 1 0 381.270 2.805 20 0 GFADRO O=C(c1cc(Cl)cc(Cl)c1)N1CC[NH+](C[C@@H]2CCNC(=O)CC2)CC1 ZINC000296519020 563290404 /nfs/dbraw/zinc/29/04/04/563290404.db2.gz MOMKHTGJAKFEJR-ZDUSSCGKSA-N 1 0 384.307 2.668 20 0 GFADRO CNC(=O)[C@H]1CC[N@H+](CC(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000420980352 563293504 /nfs/dbraw/zinc/29/35/04/563293504.db2.gz UPZYNMJZHXEPQC-XJKSGUPXSA-N 1 0 384.307 2.725 20 0 GFADRO CC[C@H](C)[C@@H](C[NH2+][C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1)OC ZINC000296595213 563293573 /nfs/dbraw/zinc/29/35/73/563293573.db2.gz VGBZCXZSTIIAQZ-COPLHBTASA-N 1 0 393.347 2.808 20 0 GFADRO C[C@H](Cn1cc(Br)cn1)[NH2+][C@@H]1CCN(C[C@H]2CCCO2)C[C@@H]1C ZINC000372047934 563294265 /nfs/dbraw/zinc/29/42/65/563294265.db2.gz VSDDAZISFBYRGD-XOSAIJSUSA-N 1 0 385.350 2.513 20 0 GFADRO CN(Cc1ccccc1Br)C(=O)C[N@@H+]1CCC[C@H](CCO)CC1 ZINC000421039468 563294364 /nfs/dbraw/zinc/29/43/64/563294364.db2.gz MEDGMQNECPZNDP-HNNXBMFYSA-N 1 0 383.330 2.892 20 0 GFADRO COC1([C@H](C)[NH2+]CC(=O)N[C@H](C)c2ccc(Br)cc2)CCOCC1 ZINC000421039362 563294591 /nfs/dbraw/zinc/29/45/91/563294591.db2.gz VHCFKQFQULJMFL-KGLIPLIRSA-N 1 0 399.329 2.800 20 0 GFADRO CC[N@H+](CC(=O)NCc1nc(-c2cccc(Br)c2)no1)C1CC1 ZINC000279485306 563298403 /nfs/dbraw/zinc/29/84/03/563298403.db2.gz XPTLDEHVZIZYLG-UHFFFAOYSA-N 1 0 379.258 2.600 20 0 GFADRO Cn1nccc1[C@H]1[C@H]([NH2+]Cc2cccc(F)c2Br)CCC(=O)N1C ZINC000296733676 563299086 /nfs/dbraw/zinc/29/90/86/563299086.db2.gz JQPDVQKEUOAKPS-CXAGYDPISA-N 1 0 395.276 2.773 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[N@@H+]1CCC[C@](C)(O)CC1 ZINC000296782331 563301608 /nfs/dbraw/zinc/30/16/08/563301608.db2.gz LWLKKEKHWRHMQI-UGSOOPFHSA-N 1 0 399.329 2.699 20 0 GFADRO O=C(NCC1CC[NH2+]CC1)[C@@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 ZINC000296845351 563304349 /nfs/dbraw/zinc/30/43/49/563304349.db2.gz CELNJIWVQKLEEY-INIZCTEOSA-N 1 0 384.307 2.714 20 0 GFADRO Cc1ccc(F)c(C(=O)N2CCN(CC[NH+]3CCCC3)CC2)c1Br ZINC000279670564 563305473 /nfs/dbraw/zinc/30/54/73/563305473.db2.gz FPFAUFZVOHCPFC-UHFFFAOYSA-N 1 0 398.320 2.750 20 0 GFADRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)Nc1cc(Cl)cc(Br)c1 ZINC000421297127 563305787 /nfs/dbraw/zinc/30/57/87/563305787.db2.gz DLWXWWXEOQDFQS-ZDUSSCGKSA-N 1 0 388.693 2.594 20 0 GFADRO Cc1cc(NC(=O)C(=O)N(C)C[C@H]2CCC[N@@H+]2C)cc(C)c1Br ZINC000421305173 563306562 /nfs/dbraw/zinc/30/65/62/563306562.db2.gz UVYUNAXSGGJZKL-CQSZACIVSA-N 1 0 382.302 2.557 20 0 GFADRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)Nc1cc(Cl)ccc1C(F)(F)F ZINC000421309415 563306580 /nfs/dbraw/zinc/30/65/80/563306580.db2.gz ZWKVSQVNJOFPQD-NSHDSACASA-N 1 0 377.794 2.850 20 0 GFADRO Cc1csc([C@H](NC(=O)NC[C@]2([NH+](C)C)CCSC2)C(F)(F)F)n1 ZINC000296887750 563306914 /nfs/dbraw/zinc/30/69/14/563306914.db2.gz GXTWNPFVUVCAQQ-GXFFZTMASA-N 1 0 382.477 2.791 20 0 GFADRO CCN(C[C@H](O)C(F)(F)F)C(=O)NC[C@H]1CC[N@H+](C)[C@@H]1c1cccs1 ZINC000372464550 563307571 /nfs/dbraw/zinc/30/75/71/563307571.db2.gz MZFGEVAYHJIUDZ-XBFCOCLRSA-N 1 0 379.448 2.696 20 0 GFADRO CCCN1C[C@@H](C[NH2+]Cc2cc(Br)c3c(c2)OCCCO3)CC1=O ZINC000421345319 563307789 /nfs/dbraw/zinc/30/77/89/563307789.db2.gz AMKQIQFNISJOFZ-CQSZACIVSA-N 1 0 397.313 2.959 20 0 GFADRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)Nc2nc3cc(Br)ccn3n2)C1 ZINC000296924703 563308237 /nfs/dbraw/zinc/30/82/37/563308237.db2.gz CCWSALIGBUIACT-LBPRGKRZSA-N 1 0 395.305 2.591 20 0 GFADRO CS(=O)(=O)C1(C[NH2+]Cc2ccc(Br)c(Br)c2)CC1 ZINC000279751700 563308834 /nfs/dbraw/zinc/30/88/34/563308834.db2.gz YTAYDSGZCYZUFS-UHFFFAOYSA-N 1 0 397.132 2.878 20 0 GFADRO CC(=O)N[C@@H]1CC[N@H+](Cc2cn(-c3ccc(Br)cc3)nc2C)C1 ZINC000421392181 563309748 /nfs/dbraw/zinc/30/97/48/563309748.db2.gz QIPNNKSGPPKLCO-MRXNPFEDSA-N 1 0 377.286 2.654 20 0 GFADRO CCCOc1c(Br)cc(C[N@H+](C[C@H](O)CO)C(C)C)cc1OC ZINC000421400913 563309797 /nfs/dbraw/zinc/30/97/97/563309797.db2.gz BZMZSNBLNDYLLV-AWEZNQCLSA-N 1 0 390.318 2.810 20 0 GFADRO Cc1ccc(F)c(C(=O)NCCCC[N@@H+]2CCC[C@@H]2CO)c1Br ZINC000279791305 563311011 /nfs/dbraw/zinc/31/10/11/563311011.db2.gz HSCQWUHCIKHVMA-CYBMUJFWSA-N 1 0 387.293 2.863 20 0 GFADRO C[C@H](C(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)c1ccc(Br)s1 ZINC000372642816 563313430 /nfs/dbraw/zinc/31/34/30/563313430.db2.gz CWXLIUYWQQCSEJ-YNEHKIRRSA-N 1 0 387.343 2.672 20 0 GFADRO CC[C@@H](C)[NH+]1CCN(C(=O)C[C@](O)(c2nc(C)cs2)C(F)(F)F)CC1 ZINC000297053058 563314178 /nfs/dbraw/zinc/31/41/78/563314178.db2.gz UGODDTXUMDMPNJ-DOMZBBRYSA-N 1 0 379.448 2.534 20 0 GFADRO C[C@@H](Sc1ccc(Br)cc1)C(=O)NCCN1CCC(O)CC1 ZINC000297073504 563314695 /nfs/dbraw/zinc/31/46/95/563314695.db2.gz VMMYSQDDPSUTQJ-GFCCVEGCSA-N 1 0 387.343 2.503 20 0 GFADRO CC(=O)c1cc(Br)ccc1OCC(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000421709660 563319732 /nfs/dbraw/zinc/31/97/32/563319732.db2.gz GIMVTBRHZKHPCH-AWEZNQCLSA-N 1 0 383.286 2.583 20 0 GFADRO C[C@H](N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000280044156 563320581 /nfs/dbraw/zinc/32/05/81/563320581.db2.gz JCUVJLSLXILUAB-HFBDOXOYSA-N 1 0 392.352 2.774 20 0 GFADRO Cc1nc(C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)nn1-c1c(Cl)cccc1Cl ZINC000372922703 563322830 /nfs/dbraw/zinc/32/28/30/563322830.db2.gz SVRRHXJKGQUNCC-SMDDNHRTSA-N 1 0 380.279 2.707 20 0 GFADRO CC[C@@H]1C[C@@H]([NH2+][C@@H](C)c2ccc(Br)c(S(N)(=O)=O)c2)CCO1 ZINC000421861041 563323405 /nfs/dbraw/zinc/32/34/05/563323405.db2.gz SWVJJDIEZYCKGL-WCFLWFBJSA-N 1 0 391.331 2.705 20 0 GFADRO O=C(CCCc1ccc(Br)s1)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000372945115 563323713 /nfs/dbraw/zinc/32/37/13/563323713.db2.gz GSFYBDYWVTZAEN-CHWSQXEVSA-N 1 0 387.343 2.813 20 0 GFADRO CCOC1CC(O)(CNC(=O)C2CC[NH+](Cc3ccc(Cl)s3)CC2)C1 ZINC000372976533 563324201 /nfs/dbraw/zinc/32/42/01/563324201.db2.gz JOVYTIPSUBLTTR-UHFFFAOYSA-N 1 0 386.945 2.660 20 0 GFADRO CC[C@H](NC(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1)[C@H](O)C(F)F ZINC000297359309 563324873 /nfs/dbraw/zinc/32/48/73/563324873.db2.gz VCTDZMJWXGILCB-SNPRPXQTSA-N 1 0 375.485 2.664 20 0 GFADRO C[C@@H]([NH2+]CCc1nccs1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000280166208 563324822 /nfs/dbraw/zinc/32/48/22/563324822.db2.gz QYQQECFGTUYCRX-MRVPVSSYSA-N 1 0 380.322 2.991 20 0 GFADRO C[C@@H](CNC(=O)c1cc(F)c(Br)cc1Cl)N1CC[NH+](C)CC1 ZINC000280194706 563326240 /nfs/dbraw/zinc/32/62/40/563326240.db2.gz QHIDDLGBTGDTBF-JTQLQIEISA-N 1 0 392.700 2.607 20 0 GFADRO O=C(N[C@H]1CCC[NH2+]C1)[C@H]1CCCN1c1ncc(C(F)(F)F)cc1Cl ZINC000373026941 563326358 /nfs/dbraw/zinc/32/63/58/563326358.db2.gz BXPPBYBYEVKPPE-WCQYABFASA-N 1 0 376.810 2.591 20 0 GFADRO O=C(c1cc(=O)[nH]c2c(Br)cccc12)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000373065365 563327718 /nfs/dbraw/zinc/32/77/18/563327718.db2.gz GJLDGYHGFWTYRQ-HZMBPMFUSA-N 1 0 376.254 2.527 20 0 GFADRO C[C@H](NC1CC[NH+](C2CC2)CC1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000280249485 563329341 /nfs/dbraw/zinc/32/93/41/563329341.db2.gz WLTVPMQHUGTBFD-JTQLQIEISA-N 1 0 392.352 2.918 20 0 GFADRO COC[C@H]([NH2+]C1CCN(S(=O)(=O)c2cccs2)CC1)c1ccccc1 ZINC000373138049 563329571 /nfs/dbraw/zinc/32/95/71/563329571.db2.gz HDWHCLNBPGJZBA-KRWDZBQOSA-N 1 0 380.535 2.879 20 0 GFADRO CCOc1c(Br)cc(C[NH2+]C[C@H](CO)[C@H]2CCOC2)cc1OC ZINC000280267768 563329695 /nfs/dbraw/zinc/32/96/95/563329695.db2.gz KKTPQLQDBBYIBM-UONOGXRCSA-N 1 0 388.302 2.591 20 0 GFADRO COc1ccc(S(=O)(=O)N2CCC([NH2+]C[C@]3(C)CCCS3)CC2)cc1 ZINC000373144279 563329930 /nfs/dbraw/zinc/32/99/30/563329930.db2.gz ZRLPHLPJKRZHFR-SFHVURJKSA-N 1 0 384.567 2.724 20 0 GFADRO [NH3+][C@@H]1C[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1ccc(Br)cc1Cl ZINC000373171839 563330678 /nfs/dbraw/zinc/33/06/78/563330678.db2.gz CNPXSFGRIHJQEU-RTCCRHLQSA-N 1 0 379.707 2.745 20 0 GFADRO COc1ccc(OC)c(CN(CCO)Cc2cnc(Br)s2)c1 ZINC000297623367 563330911 /nfs/dbraw/zinc/33/09/11/563330911.db2.gz WNVRCTPXKLNRLA-UHFFFAOYSA-N 1 0 387.299 2.917 20 0 GFADRO C[C@@H](CC[S@@](C)=O)[NH2+]Cc1c(F)ccc(I)c1F ZINC000280355310 563333079 /nfs/dbraw/zinc/33/30/79/563333079.db2.gz RPCHZXFERIMONH-DCXZOGHSSA-N 1 0 387.233 2.816 20 0 GFADRO C[NH+]1CCC(n2ccc(NC(=O)Cc3ccc(Br)s3)n2)CC1 ZINC000373290175 563334193 /nfs/dbraw/zinc/33/41/93/563334193.db2.gz HJUFEKWIJCSQAE-UHFFFAOYSA-N 1 0 383.315 3.155 20 0 GFADRO CC(C)[N@@H+]1CCCN(C(=O)NCCCCn2cc(Br)cn2)CC1 ZINC000280470662 563339228 /nfs/dbraw/zinc/33/92/28/563339228.db2.gz TZZOGTSJLOKHCO-UHFFFAOYSA-N 1 0 386.338 2.552 20 0 GFADRO CS(=O)(=O)[C@@H]1CCC[C@@H]([NH2+][C@@H](CO)c2ccccc2OC(F)(F)F)C1 ZINC000280514813 563341179 /nfs/dbraw/zinc/34/11/79/563341179.db2.gz NUIZTNBKVAQYIX-BZPMIXESSA-N 1 0 381.416 2.564 20 0 GFADRO Cc1cc([C@@H](C)[NH2+]C[C@@H]2CCn3ncc(C(N)=O)c3C2)ccc1Br ZINC000373562596 563342155 /nfs/dbraw/zinc/34/21/55/563342155.db2.gz REILSADLCOCTKS-CHWSQXEVSA-N 1 0 391.313 2.966 20 0 GFADRO CCOc1cc(C[NH2+]CC2([S@](C)=O)CCC2)cc(Br)c1O ZINC000298024728 563342357 /nfs/dbraw/zinc/34/23/57/563342357.db2.gz FBIWMIZWRCJQFK-NRFANRHFSA-N 1 0 376.316 2.944 20 0 GFADRO C[C@H]([NH2+][C@H]1CCc2n[nH]cc2C1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000373564982 563342449 /nfs/dbraw/zinc/34/24/49/563342449.db2.gz WZSVYXNNUJAQPP-WPRPVWTQSA-N 1 0 389.308 2.572 20 0 GFADRO CCNC(=O)[C@@H]([NH2+]CCC(=O)Nc1ccc(Br)cc1F)C(C)C ZINC000298062430 563343518 /nfs/dbraw/zinc/34/35/18/563343518.db2.gz GJLZEEZBCZNPIR-HNNXBMFYSA-N 1 0 388.281 2.667 20 0 GFADRO CCOc1cc(C[N@@H+]2CC[C@@H](C(=O)NCC(F)(F)F)C2)cc(Cl)c1O ZINC000298063939 563343605 /nfs/dbraw/zinc/34/36/05/563343605.db2.gz KIXABTVUVIICRL-LLVKDONJSA-N 1 0 380.794 2.945 20 0 GFADRO CC[NH+]1CCN(CCNC(=O)c2cc(F)c(Br)cc2Cl)CC1 ZINC000280570249 563343712 /nfs/dbraw/zinc/34/37/12/563343712.db2.gz RCXOGZWFJFOODD-UHFFFAOYSA-N 1 0 392.700 2.609 20 0 GFADRO C[C@@H]1C[N@H+](CCC(=O)Nc2ccc(Br)cc2)C[C@]2(CCOC2)O1 ZINC000280578909 563344645 /nfs/dbraw/zinc/34/46/45/563344645.db2.gz SOXDXZLRXUOHPX-DYVFJYSZSA-N 1 0 383.286 2.658 20 0 GFADRO C[C@@H]([NH2+]CC(C)(C)CCCO)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000280750791 563352648 /nfs/dbraw/zinc/35/26/48/563352648.db2.gz PVFPHKZVLMYCEB-LLVKDONJSA-N 1 0 393.347 2.546 20 0 GFADRO CC(C)[C@H](C(=O)N1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1)[C@@H](C)[NH3+] ZINC000422980935 563352730 /nfs/dbraw/zinc/35/27/30/563352730.db2.gz MWSMVTLTXKOIMZ-WBMJQRKESA-N 1 0 386.323 2.897 20 0 GFADRO COC(C)(C)C[C@H](C)[NH2+][C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000280768341 563353223 /nfs/dbraw/zinc/35/32/23/563353223.db2.gz REQPNJWYNPUMRP-QWRGUYRKSA-N 1 0 393.347 2.951 20 0 GFADRO CN(C[C@@H](O)c1cccc(Br)c1)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000298398941 563354005 /nfs/dbraw/zinc/35/40/05/563354005.db2.gz VPVHNOMHZNXMOO-CXAGYDPISA-N 1 0 396.329 2.608 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000423092202 563354464 /nfs/dbraw/zinc/35/44/64/563354464.db2.gz AXMMKNBEJQUJOS-DETPVDSQSA-N 1 0 384.307 2.853 20 0 GFADRO CC(C)[NH2+]C1CCN(C(=O)C(=O)N(C)Cc2c(Cl)cccc2Cl)CC1 ZINC000298429718 563355223 /nfs/dbraw/zinc/35/52/23/563355223.db2.gz UWXQYBAZPPUEIJ-UHFFFAOYSA-N 1 0 386.323 2.941 20 0 GFADRO C[C@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000423113217 563355963 /nfs/dbraw/zinc/35/59/63/563355963.db2.gz KOBYSCFJSAPJDU-KWCYVHTRSA-N 1 0 384.307 2.581 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)[C@H](C(C)C)[C@@H](C)[NH3+] ZINC000423115930 563356195 /nfs/dbraw/zinc/35/61/95/563356195.db2.gz ZBFJSZHSYJDWJY-MLGOLLRUSA-N 1 0 384.318 2.822 20 0 GFADRO C[C@@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000423118331 563356317 /nfs/dbraw/zinc/35/63/17/563356317.db2.gz ZZGJLPQIVURNTH-SGTLLEGYSA-N 1 0 384.307 2.725 20 0 GFADRO CCOC(=O)[C@@H]1NCC[C@H]1[NH2+]CC1(c2ccc(Br)s2)CCC1 ZINC000423113124 563356407 /nfs/dbraw/zinc/35/64/07/563356407.db2.gz YMGDLMXPNSETKY-BXUZGUMPSA-N 1 0 387.343 2.816 20 0 GFADRO COC(=O)C1CC[NH+](CCCNC(=O)c2csc(Br)c2)CC1 ZINC000298503377 563357284 /nfs/dbraw/zinc/35/72/84/563357284.db2.gz IQWGYADKHZRQHH-UHFFFAOYSA-N 1 0 389.315 2.516 20 0 GFADRO CC(C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000423166627 563357931 /nfs/dbraw/zinc/35/79/31/563357931.db2.gz RIUIWVVKHLHWPL-GOSISDBHSA-N 1 0 386.323 2.928 20 0 GFADRO C[C@H]([NH2+]C[C@@H](CO)[C@@H]1CCOC1)c1ccc(I)cc1 ZINC000280878259 563358817 /nfs/dbraw/zinc/35/88/17/563358817.db2.gz OEWSNQXBRFFTDT-YUTCNCBUSA-N 1 0 375.250 2.587 20 0 GFADRO CC[C@H]([NH2+][C@@H]1CC[C@H](C(=O)OC)C1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000280873665 563358626 /nfs/dbraw/zinc/35/86/26/563358626.db2.gz NYDXBDBVWKJAMF-GUTXKFCHSA-N 1 0 388.917 2.631 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)N(C)C[C@H](O)c2cccc(Br)c2)C[N@@H+]1C1CC1 ZINC000298534663 563358679 /nfs/dbraw/zinc/35/86/79/563358679.db2.gz CSFRIENJPANDSR-VMGRFDJRSA-N 1 0 396.329 2.749 20 0 GFADRO O=C(CC[NH2+][C@@H]1CCC(=O)NC12CCC2)Nc1ccc(Br)cc1 ZINC000298547905 563359536 /nfs/dbraw/zinc/35/95/36/563359536.db2.gz NVJNBGJVEJNYDH-CQSZACIVSA-N 1 0 380.286 2.569 20 0 GFADRO Cc1cccc(CC[NH2+][C@@H](C)c2ccc(Br)c(S(N)(=O)=O)c2)n1 ZINC000280897797 563359669 /nfs/dbraw/zinc/35/96/69/563359669.db2.gz FAAZXWABUHLAIH-LBPRGKRZSA-N 1 0 398.326 2.693 20 0 GFADRO CCOc1cc(C[NH2+]CC2CCN(C(C)=O)CC2)cc(Br)c1O ZINC000298556554 563359736 /nfs/dbraw/zinc/35/97/36/563359736.db2.gz VLIYFXNVBXUYOU-UHFFFAOYSA-N 1 0 385.302 2.902 20 0 GFADRO C[C@H](N[C@@H](C[NH3+])C1CCCC1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000423510935 563360938 /nfs/dbraw/zinc/36/09/38/563360938.db2.gz SXLUGBQENQYSGL-XPTSAGLGSA-N 1 0 380.341 2.809 20 0 GFADRO [NH3+][C@H]1C[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1cc(Cl)ccc1Br ZINC000374089225 563361276 /nfs/dbraw/zinc/36/12/76/563361276.db2.gz PPJKERFPZAFBDQ-JGPRNRPPSA-N 1 0 379.707 2.745 20 0 GFADRO COC[C@]1(CN[C@H](C)c2ccc(F)c(I)c2)CCC[NH2+]1 ZINC000423418002 563361287 /nfs/dbraw/zinc/36/12/87/563361287.db2.gz TYFMNMISHHAFMZ-IAQYHMDHSA-N 1 0 392.256 2.850 20 0 GFADRO C[C@@H](NC[C@H]1C[NH2+]CCN1C)c1ccc(Br)cc1Br ZINC000423482247 563361351 /nfs/dbraw/zinc/36/13/51/563361351.db2.gz RHJVCLSDZLUMTC-ZYHUDNBSSA-N 1 0 391.151 2.766 20 0 GFADRO COc1ccc2c(c1)[C@H]([NH3+])CCN2S(=O)(=O)c1cc(Cl)ccc1OC ZINC000374087710 563361443 /nfs/dbraw/zinc/36/14/43/563361443.db2.gz FEFXURKPHWBDRB-CQSZACIVSA-N 1 0 382.869 2.956 20 0 GFADRO C[C@H](NC[C@@H]1C[NH2+]CCN1C)c1ccc(Br)cc1Br ZINC000423482244 563361499 /nfs/dbraw/zinc/36/14/99/563361499.db2.gz RHJVCLSDZLUMTC-JQWIXIFHSA-N 1 0 391.151 2.766 20 0 GFADRO COC[C@@]1(CN[C@@H](C)c2ccc(F)c(I)c2)CCC[NH2+]1 ZINC000423418003 563361567 /nfs/dbraw/zinc/36/15/67/563361567.db2.gz TYFMNMISHHAFMZ-NHYWBVRUSA-N 1 0 392.256 2.850 20 0 GFADRO O=S(=O)(N1CCC([NH2+][C@@H](c2cccnc2)C2CCC2)CC1)C(F)(F)F ZINC000280950778 563362421 /nfs/dbraw/zinc/36/24/21/563362421.db2.gz UARUVZDKJJCIFZ-OAHLLOKOSA-N 1 0 377.432 2.826 20 0 GFADRO O=C(COC1CC[NH2+]CC1)N1CCC(c2ccc(Br)cc2)CC1 ZINC000423844396 563363546 /nfs/dbraw/zinc/36/35/46/563363546.db2.gz NAXSJRXIDABKJR-UHFFFAOYSA-N 1 0 381.314 2.924 20 0 GFADRO C[C@@H]1CC[NH2+][C@@H](C(=O)NCc2noc(-c3cccc(Br)c3)n2)C1 ZINC000423928162 563364211 /nfs/dbraw/zinc/36/42/11/563364211.db2.gz KHEKNFUYUWPYBI-ZWNOBZJWSA-N 1 0 379.258 2.503 20 0 GFADRO O=C(c1ccc(I)cc1)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000423935908 563364331 /nfs/dbraw/zinc/36/43/31/563364331.db2.gz BFOQLRHYBZIDHJ-HIFRSBDPSA-N 1 0 384.261 2.895 20 0 GFADRO [NH3+]C[C@@H](NC(=O)[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)C1CCCC1 ZINC000423935481 563364345 /nfs/dbraw/zinc/36/43/45/563364345.db2.gz AGNZZJFVSZZPNC-CZUORRHYSA-N 1 0 384.307 2.980 20 0 GFADRO CC(C)[C@H]([NH2+][C@H](C)c1ccc(Br)c(S(N)(=O)=O)c1)C(C)(C)O ZINC000281049245 563364479 /nfs/dbraw/zinc/36/44/79/563364479.db2.gz HTWUUFZYBCFHGE-YGRLFVJLSA-N 1 0 393.347 2.543 20 0 GFADRO [NH2+]=C(NO)[C@H]1CCCCN1Cc1nnc(-c2ccccc2Br)o1 ZINC000374176210 563364742 /nfs/dbraw/zinc/36/47/42/563364742.db2.gz QTWGYXPUXJWLOM-GFCCVEGCSA-N 1 0 380.246 2.810 20 0 GFADRO [NH3+]C[C@H](NC(=O)C1CCN(C(=O)c2ccc(Cl)s2)CC1)C1CCCC1 ZINC000423960624 563365825 /nfs/dbraw/zinc/36/58/25/563365825.db2.gz NFUUSTBJEUJFHH-AWEZNQCLSA-N 1 0 383.945 2.887 20 0 GFADRO [NH3+]C[C@@H](NC(=O)[C@H]1CCN(c2cc(Cl)ccc2Cl)C1=O)C1CCCC1 ZINC000423967044 563365850 /nfs/dbraw/zinc/36/58/50/563365850.db2.gz SEOISSNDLTZVFC-UKRRQHHQSA-N 1 0 384.307 2.980 20 0 GFADRO C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@@H]1NC(=O)N1CCC=C(Br)C1 ZINC000374244096 563365933 /nfs/dbraw/zinc/36/59/33/563365933.db2.gz LKDKDVWVFRYPGM-BMFZPTHFSA-N 1 0 386.334 2.570 20 0 GFADRO CC[NH+](CC)[C@@H](CNC(=O)CNC(=O)OCC(F)(F)F)c1ccsc1 ZINC000298784360 563366004 /nfs/dbraw/zinc/36/60/04/563366004.db2.gz OJYQUAFFYUCVLY-LBPRGKRZSA-N 1 0 381.420 2.536 20 0 GFADRO C[NH+](C)[C@@H]1CCN(c2ccc(NC(=O)c3ncccc3Br)nc2)C1 ZINC000281092551 563366506 /nfs/dbraw/zinc/36/65/06/563366506.db2.gz FYVNLLOCHGHPLD-CYBMUJFWSA-N 1 0 390.285 2.632 20 0 GFADRO CCOc1c(Br)cc(C[N@@H+]2CC[C@@](C)(C(=O)NC)C2)cc1OC ZINC000281105218 563366629 /nfs/dbraw/zinc/36/66/29/563366629.db2.gz LLLHODUXGXXSPX-QGZVFWFLSA-N 1 0 385.302 2.814 20 0 GFADRO C[C@@H]1CCN(C(=O)[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C[C@@H]1C[NH3+] ZINC000424005081 563367141 /nfs/dbraw/zinc/36/71/41/563367141.db2.gz FMDYJACMLAVSDM-MBNYWOFBSA-N 1 0 384.307 2.790 20 0 GFADRO COCC[C@@H](Cc1cccc(Br)c1)C(=O)N[C@@H]1CCC[NH2+][C@@H]1C ZINC000424047395 563367818 /nfs/dbraw/zinc/36/78/18/563367818.db2.gz VKDRYYAHQVFOLO-UKPHBRMFSA-N 1 0 383.330 2.901 20 0 GFADRO O=C(c1ccoc1)N1CCC([NH2+]C[C@H](O)c2cccc(Br)c2)CC1 ZINC000374336928 563368081 /nfs/dbraw/zinc/36/80/81/563368081.db2.gz JIZYYSKUARKADO-KRWDZBQOSA-N 1 0 393.281 2.970 20 0 GFADRO [NH3+]CC1(O)CCN(C(=O)CCCSc2ccc(Br)cc2)CC1 ZINC000424058293 563368622 /nfs/dbraw/zinc/36/86/22/563368622.db2.gz NJFBUFSAEPYHRK-UHFFFAOYSA-N 1 0 387.343 2.634 20 0 GFADRO COc1cc(C(=O)N2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)cc(OC)c1Br ZINC000424051406 563368687 /nfs/dbraw/zinc/36/86/87/563368687.db2.gz JMRMGXAERYJREE-LOWVWBTDSA-N 1 0 385.302 2.912 20 0 GFADRO C[C@@H]1C[C@@H](C)N(C(=O)c2ccc(I)c(F)c2)C[C@H]1C[NH3+] ZINC000424075815 563369254 /nfs/dbraw/zinc/36/92/54/563369254.db2.gz PTYNRBKVXZLIDM-CKYFFXLPSA-N 1 0 390.240 2.876 20 0 GFADRO CN(Cc1ccc(I)c(Cl)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000281304395 563372540 /nfs/dbraw/zinc/37/25/40/563372540.db2.gz NTCLLEAGGKGOER-SNVBAGLBSA-N 1 0 399.681 2.564 20 0 GFADRO CN1CC[C@@H](C[NH2+]Cc2nc(-c3cccc(Br)c3)c[nH]2)CC1=O ZINC000424189585 563372157 /nfs/dbraw/zinc/37/21/57/563372157.db2.gz MPRTVMVEVKNUJN-GFCCVEGCSA-N 1 0 377.286 2.797 20 0 GFADRO O=C(C[C@@H]1Sc2ccc(Cl)cc2NC1=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000298986792 563372245 /nfs/dbraw/zinc/37/22/45/563372245.db2.gz IDJLJBBXLYFQPA-NOLJZWGESA-N 1 0 379.913 2.886 20 0 GFADRO CN1CC[C@@H](C[NH2+]Cc2c(Br)cncc2Br)CC1=O ZINC000424193060 563372231 /nfs/dbraw/zinc/37/22/31/563372231.db2.gz UWFNHHYLQZQQPJ-SECBINFHSA-N 1 0 391.107 2.565 20 0 GFADRO O=C(NCC1CC[NH+](C2CC2)CC1)c1c[nH]c2ncc(Br)cc12 ZINC000281328988 563373105 /nfs/dbraw/zinc/37/31/05/563373105.db2.gz VYRXMLFYGMQVIU-UHFFFAOYSA-N 1 0 377.286 2.930 20 0 GFADRO CN1C(=O)CC[C@@H]([NH2+]Cc2ccc(-c3cccc(Br)c3)o2)C1=O ZINC000424204795 563373279 /nfs/dbraw/zinc/37/32/79/563373279.db2.gz METMRLQXZXMWNE-CQSZACIVSA-N 1 0 377.238 2.946 20 0 GFADRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N(C)C[C@H](O)c1cccc(Br)c1 ZINC000299067850 563374287 /nfs/dbraw/zinc/37/42/87/563374287.db2.gz VGWMPTBYTQVRBR-DQYPLSBCSA-N 1 0 396.329 2.607 20 0 GFADRO C[C@H]1CC2(CN1C(=O)CNC(=O)c1ccc(Cl)c(Cl)c1)CC[NH2+]CC2 ZINC000424222981 563374292 /nfs/dbraw/zinc/37/42/92/563374292.db2.gz KFSJKQKTPCCRAX-LBPRGKRZSA-N 1 0 384.307 2.714 20 0 GFADRO COC(=O)CC1CC([NH2+]C[C@@H](CO)Cc2ccc(C)c(Br)c2)C1 ZINC000424346477 563375661 /nfs/dbraw/zinc/37/56/61/563375661.db2.gz JQOKCYWPAGFOBY-PCKAHOCUSA-N 1 0 384.314 2.840 20 0 GFADRO [NH3+][C@@H]1CCCC[C@H]1NC(=O)Nc1cc(Br)ccc1N1CCOCC1 ZINC000424416982 563378857 /nfs/dbraw/zinc/37/88/57/563378857.db2.gz LEBLYMXIYXHNTG-ZIAGYGMSSA-N 1 0 397.317 2.677 20 0 GFADRO CC(=O)Nc1nc(CN2CCC(Cn3cc(Br)cn3)CC2)cs1 ZINC000374650271 563378880 /nfs/dbraw/zinc/37/88/80/563378880.db2.gz WLGHGMCGVLTQIY-UHFFFAOYSA-N 1 0 398.330 2.973 20 0 GFADRO [NH3+][C@@H]1CCCC[C@H]1NC(=O)NCCOc1ncc(C(F)(F)F)cc1Cl ZINC000424467367 563379707 /nfs/dbraw/zinc/37/97/07/563379707.db2.gz VMXJDWNKZTVBMI-VXGBXAGGSA-N 1 0 380.798 2.702 20 0 GFADRO COc1cc(Br)c(CN2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)cc1O ZINC000374890793 563384755 /nfs/dbraw/zinc/38/47/55/563384755.db2.gz FAFSOAWQTCVQDJ-JLJPHGGASA-N 1 0 399.329 2.847 20 0 GFADRO Cc1cc(NC(=O)C(=O)N[C@H](C)C2=CC[N@H+](C)CC2)cc(F)c1Br ZINC000299519527 563385207 /nfs/dbraw/zinc/38/52/07/563385207.db2.gz CTTVJKFWMRKCHF-LLVKDONJSA-N 1 0 398.276 2.602 20 0 GFADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1c(C)ccc(Br)c1OC ZINC000424646901 563385438 /nfs/dbraw/zinc/38/54/38/563385438.db2.gz PXFZSJUQWCKQNU-CYBMUJFWSA-N 1 0 385.302 2.607 20 0 GFADRO COc1ncc(C(=O)N2C[C@H]([NH+](C)C)Cc3ccccc32)cc1Br ZINC000424666021 563386120 /nfs/dbraw/zinc/38/61/20/563386120.db2.gz RRAAZVLMYIUAIM-CQSZACIVSA-N 1 0 390.281 2.986 20 0 GFADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)CCn1ccnc1 ZINC000299563486 563386581 /nfs/dbraw/zinc/38/65/81/563386581.db2.gz AJIDIFSSAXXIHU-UHFFFAOYSA-N 1 0 379.302 2.626 20 0 GFADRO C[C@H](NC(=O)[C@]1([NH+](C)C)CCCSC1)C1CCN(CC(F)(F)F)CC1 ZINC000374999455 563387169 /nfs/dbraw/zinc/38/71/69/563387169.db2.gz DBDTYQPOFSNSFE-BBRMVZONSA-N 1 0 381.508 2.593 20 0 GFADRO [NH3+]CC[C@H]1CCCN(C(=O)/C=C/c2cc(Br)c3c(c2)OCCO3)C1 ZINC000281880105 563389111 /nfs/dbraw/zinc/38/91/11/563389111.db2.gz GCPRMXISFULVMV-ITDFMYJTSA-N 1 0 395.297 2.821 20 0 GFADRO COc1ncc(C(=O)N2CC[NH+](C3CCCCC3)CC2)cc1Br ZINC000424736128 563389359 /nfs/dbraw/zinc/38/93/59/563389359.db2.gz MHJIMGCPSUEPBM-UHFFFAOYSA-N 1 0 382.302 2.943 20 0 GFADRO O=S(=O)(CCC(F)(F)F)N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000375106231 563390138 /nfs/dbraw/zinc/39/01/38/563390138.db2.gz QUPJKEFZHCIPHM-BZUAXINKSA-N 1 0 376.444 2.769 20 0 GFADRO Cc1oc(Br)cc1C(=O)NC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1 ZINC000424761108 563390683 /nfs/dbraw/zinc/39/06/83/563390683.db2.gz XMUUAHBOFBSLNY-LSDHHAIUSA-N 1 0 393.281 2.716 20 0 GFADRO Cc1oc(Br)cc1C(=O)N1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000424768078 563390779 /nfs/dbraw/zinc/39/07/79/563390779.db2.gz RQSJSWSVKCWDBW-GFCCVEGCSA-N 1 0 384.318 2.591 20 0 GFADRO COc1c(Br)ccc(C)c1C(=O)N[C@@H](C)CC[NH+]1CCN(C)CC1 ZINC000424772259 563391242 /nfs/dbraw/zinc/39/12/42/563391242.db2.gz LOZNSJKUOCOHOZ-AWEZNQCLSA-N 1 0 398.345 2.522 20 0 GFADRO [NH3+]CC[C@@H]1CCCN(C(=O)c2cnn(-c3ccc(Br)cc3)c2)C1 ZINC000281975249 563392463 /nfs/dbraw/zinc/39/24/63/563392463.db2.gz OFTMCGCBFMGUAJ-ZDUSSCGKSA-N 1 0 377.286 2.836 20 0 GFADRO O=C(NCCOc1ncc(Cl)cc1Cl)NCc1cnc2n1CCCC2 ZINC000375211409 563394798 /nfs/dbraw/zinc/39/47/98/563394798.db2.gz PBTMLFPDDGYKCM-UHFFFAOYSA-N 1 0 384.267 2.799 20 0 GFADRO Cn1nc(Br)c2c1ncnc2NCC[N@@H+]1CCc2ccccc2C1 ZINC000301170903 563395101 /nfs/dbraw/zinc/39/51/01/563395101.db2.gz UEIDNYCQSVIYHE-UHFFFAOYSA-N 1 0 387.285 2.596 20 0 GFADRO C[NH+](C)C[C@H]1CCN(C(=O)N[C@@H]2CCOc3c(Br)cccc32)C1 ZINC000282057997 563395883 /nfs/dbraw/zinc/39/58/83/563395883.db2.gz ANFYTULSVCVBOI-IUODEOHRSA-N 1 0 382.302 2.866 20 0 GFADRO CCC(C)(C)[NH2+][C@H](C)C(=O)Nc1cnc(N2CCOCC2)c(Br)c1 ZINC000282090650 563397075 /nfs/dbraw/zinc/39/70/75/563397075.db2.gz VDUGTQBBTNCTAV-GFCCVEGCSA-N 1 0 399.333 2.786 20 0 GFADRO O=S(=O)(c1sccc1Br)N1CCCC2(CC[NH2+]CC2)C1 ZINC000375274028 563398292 /nfs/dbraw/zinc/39/82/92/563398292.db2.gz FIYVCLLLGVAZQM-UHFFFAOYSA-N 1 0 379.345 2.665 20 0 GFADRO CC(C)n1c(Sc2ncc(C(N)=O)cc2Cl)nnc1[C@H]1CCC[NH2+]C1 ZINC000301305072 563400229 /nfs/dbraw/zinc/40/02/29/563400229.db2.gz XVXGPVCFEHKEGG-JTQLQIEISA-N 1 0 380.905 2.625 20 0 GFADRO Brc1cnc(N2CCC([NH2+]CCOc3ccccc3)CC2)nc1 ZINC000301397473 563402332 /nfs/dbraw/zinc/40/23/32/563402332.db2.gz NWFSYZAQXIOUPQ-UHFFFAOYSA-N 1 0 377.286 2.877 20 0 GFADRO C[C@H](Oc1ccc(F)cc1Br)C(=O)N1CCC[C@H]2C[N@H+](C)C[C@H]21 ZINC000425061604 563403001 /nfs/dbraw/zinc/40/30/01/563403001.db2.gz ZTOCJZHDHBOWCM-SLEUVZQESA-N 1 0 385.277 2.908 20 0 GFADRO C[C@@H]([NH2+]CCS(=O)(=O)CCc1ccccc1)c1ccc([S@@](C)=O)cc1 ZINC000282268186 563404430 /nfs/dbraw/zinc/40/44/30/563404430.db2.gz DDUSTSNGBAHMCU-VOIUYBSRSA-N 1 0 379.547 2.732 20 0 GFADRO NC(=O)c1cnn2c1C[C@H](C[NH2+][C@H]1CCc3ccc(Br)cc31)CC2 ZINC000282310079 563406575 /nfs/dbraw/zinc/40/65/75/563406575.db2.gz DLVGIBJJPKEDLI-BZNIZROVSA-N 1 0 389.297 2.584 20 0 GFADRO C[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1ccc2ccccc2c1Br ZINC000425157874 563406782 /nfs/dbraw/zinc/40/67/82/563406782.db2.gz PLITVMZOTBBXLT-ZDUSSCGKSA-N 1 0 383.311 2.975 20 0 GFADRO C[C@H](CO)[N@@H+]1CCCN(Cc2ncc(-c3ccc(Br)cc3)o2)CC1 ZINC000375485891 563407013 /nfs/dbraw/zinc/40/70/13/563407013.db2.gz RKTHPJYYRQENRG-CQSZACIVSA-N 1 0 394.313 2.993 20 0 GFADRO CN(C)C(=O)Sc1ccc(C[N@@H+]2C[C@@H](C(N)=O)[C@H](C(F)(F)F)C2)cc1 ZINC000375511461 563408075 /nfs/dbraw/zinc/40/80/75/563408075.db2.gz IFLNASUEYDEPRM-CHWSQXEVSA-N 1 0 375.416 2.556 20 0 GFADRO O=C(CC[N@@H+]1CCO[C@@]2(CCCOC2)C1)Nc1ccc(Br)cc1 ZINC000375630271 563412736 /nfs/dbraw/zinc/41/27/36/563412736.db2.gz LHTKVVPUSYPHBK-KRWDZBQOSA-N 1 0 383.286 2.659 20 0 GFADRO O=S1(=O)CC[C@H](C[N@H+]2CCCN(c3ccc(Cl)c(Cl)c3)CC2)C1 ZINC000375753716 563416800 /nfs/dbraw/zinc/41/68/00/563416800.db2.gz AHQFHODFLGWNKG-CYBMUJFWSA-N 1 0 377.337 2.940 20 0 GFADRO O[C@@H]1[C@@H](C[NH2+]Cc2cnc3ccc(Br)cn23)CCC12CCOCC2 ZINC000282649444 563419391 /nfs/dbraw/zinc/41/93/91/563419391.db2.gz HRSRQBLOENMGPL-CXAGYDPISA-N 1 0 394.313 2.754 20 0 GFADRO COc1cc(Br)c(C[NH2+][C@H]2CCC(=O)NC23CCC3)cc1OC ZINC000282656348 563420163 /nfs/dbraw/zinc/42/01/63/563420163.db2.gz IGXMLUYVMDPBKH-HNNXBMFYSA-N 1 0 383.286 2.757 20 0 GFADRO C[C@H]([NH2+]C[C@H]1CCN(S(=O)(=O)c2cccs2)C1)c1cccc(CO)c1 ZINC000375840548 563420614 /nfs/dbraw/zinc/42/06/14/563420614.db2.gz PSFAQCGRYDFJQC-GOEBONIOSA-N 1 0 380.535 2.602 20 0 GFADRO OCCOC1(C[NH2+]Cc2cc(Br)ccc2Cl)CCOCC1 ZINC000282756409 563423743 /nfs/dbraw/zinc/42/37/43/563423743.db2.gz SWTKTDOEMGCPHM-UHFFFAOYSA-N 1 0 378.694 2.750 20 0 GFADRO NC(=O)c1c[nH+]ccc1NC[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000302211817 563423532 /nfs/dbraw/zinc/42/35/32/563423532.db2.gz HAGLTDXRBCJZSZ-LBPRGKRZSA-N 1 0 375.270 2.881 20 0 GFADRO COC(=O)[C@@H]1C[N@H+](CC(=O)N(C)C(C)C)C[C@H]1c1ccc(Br)cc1 ZINC000425513873 563426517 /nfs/dbraw/zinc/42/65/17/563426517.db2.gz SSLIFIGZQVOUNX-JKSUJKDBSA-N 1 0 397.313 2.504 20 0 GFADRO CN(Cc1c(F)cccc1Cl)S(=O)(=O)N1CCCC2(CC[NH2+]CC2)C1 ZINC000376069524 563428439 /nfs/dbraw/zinc/42/84/39/563428439.db2.gz RXMQIKRIPNBVFO-UHFFFAOYSA-N 1 0 389.924 2.621 20 0 GFADRO O=C1CCc2cc(Cl)c(S(=O)(=O)N3CCC[C@@H]4C[NH2+]CCC[C@H]43)cc21 ZINC000376140880 563431426 /nfs/dbraw/zinc/43/14/26/563431426.db2.gz AXUXBNBUFKDEAG-CZUORRHYSA-N 1 0 382.913 2.622 20 0 GFADRO C[N@@H+]1CCC[C@@H](N2CCN(c3nc(C(Cl)(Cl)Cl)ns3)CC2)C1 ZINC000376173217 563431787 /nfs/dbraw/zinc/43/17/87/563431787.db2.gz NGDMORDOSHMEKT-SNVBAGLBSA-N 1 0 384.764 2.581 20 0 GFADRO COc1ccc(Br)cc1CNC(=O)N1CC[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000376166885 563432135 /nfs/dbraw/zinc/43/21/35/563432135.db2.gz OMKMLRIJSSUZMP-SWLSCSKDSA-N 1 0 382.302 2.693 20 0 GFADRO C[C@@H](CO)[N@@H+]1CCCN(C(=O)Nc2cc(Cl)ccc2OC(F)F)CC1 ZINC000425714818 563432878 /nfs/dbraw/zinc/43/28/78/563432878.db2.gz PMRDUUWXQSJAEW-NSHDSACASA-N 1 0 377.819 2.862 20 0 GFADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)Nc1cc(Cl)ccc1OC(F)F ZINC000425741658 563434106 /nfs/dbraw/zinc/43/41/06/563434106.db2.gz NFMBCXJVMKHFCW-JTQLQIEISA-N 1 0 377.819 2.726 20 0 GFADRO COc1c(Br)cc(Br)cc1C[NH2+][C@@H]1CC(=O)N(C)C1 ZINC000312049915 563435761 /nfs/dbraw/zinc/43/57/61/563435761.db2.gz BOOJIQCHLJDLDJ-SNVBAGLBSA-N 1 0 392.091 2.541 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)Nc1ccn(CCC(F)(F)F)n1)c1cccs1 ZINC000425764029 563436349 /nfs/dbraw/zinc/43/63/49/563436349.db2.gz SIKVYKVCXQYFQP-NSHDSACASA-N 1 0 375.420 3.321 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)c2ccc(Br)c(C(F)(F)F)c2)CCCO1 ZINC000313334376 563437842 /nfs/dbraw/zinc/43/78/42/563437842.db2.gz FYIIBWNUHFBRSY-SNVBAGLBSA-N 1 0 381.192 2.658 20 0 GFADRO C[N@@H+]1CC[C@@]2(CCN(S(=O)(=O)c3ccc(Cl)c(Br)c3)C2)C1 ZINC000313916007 563438301 /nfs/dbraw/zinc/43/83/01/563438301.db2.gz VKWFJHWTFWNGBT-CQSZACIVSA-N 1 0 393.734 2.819 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)c(Br)c1 ZINC000425820388 563438822 /nfs/dbraw/zinc/43/88/22/563438822.db2.gz OBLAUVMTFIFVPJ-DZGCQCFKSA-N 1 0 394.313 2.557 20 0 GFADRO O=C(N[C@H]1CCC[NH2+]CC1)[C@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl ZINC000376389525 563440577 /nfs/dbraw/zinc/44/05/77/563440577.db2.gz XDCVCVNPRKYJKN-XJKSGUPXSA-N 1 0 384.307 2.856 20 0 GFADRO CCOC(=O)[C@](C)(C[NH2+]Cc1c(Br)cnn1C)c1ccccc1 ZINC000425970677 563441412 /nfs/dbraw/zinc/44/14/12/563441412.db2.gz IAKGHLNKPLUWPC-QGZVFWFLSA-N 1 0 380.286 2.793 20 0 GFADRO O=S(=O)(c1ccc(F)cc1Br)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000316847887 563441705 /nfs/dbraw/zinc/44/17/05/563441705.db2.gz MBERUNNCKHVLQC-ZDUSSCGKSA-N 1 0 391.306 2.837 20 0 GFADRO CCOCCCNC(=O)[C@H](C)[NH2+][C@H]1CCOc2c(Br)cccc21 ZINC000283335854 563442015 /nfs/dbraw/zinc/44/20/15/563442015.db2.gz AQMXEUVZHKLZKW-WFASDCNBSA-N 1 0 385.302 2.794 20 0 GFADRO CCOc1ccc(Br)cc1S(=O)(=O)N(C)CC[C@H]([NH3+])C(C)C ZINC000317279724 563442489 /nfs/dbraw/zinc/44/24/89/563442489.db2.gz QZRGSZHPGDQOJR-ZDUSSCGKSA-N 1 0 393.347 2.842 20 0 GFADRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)COc1ccc(C=O)cc1Br ZINC000376444145 563442600 /nfs/dbraw/zinc/44/26/00/563442600.db2.gz XLAQMCNAMIIBIF-BBRMVZONSA-N 1 0 395.297 2.726 20 0 GFADRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(=O)NCc2ccc(Cl)cc2Cl)C1 ZINC000283375141 563443044 /nfs/dbraw/zinc/44/30/44/563443044.db2.gz QSETYKXYYNVBAS-ZDUSSCGKSA-N 1 0 386.323 2.846 20 0 GFADRO CC[N@H+](CCO)CCNC(=O)N[C@@H]1c2cccc(Br)c2CC1(C)C ZINC000426082876 563443550 /nfs/dbraw/zinc/44/35/50/563443550.db2.gz BZSGUTIGYNAYKJ-MRXNPFEDSA-N 1 0 398.345 2.686 20 0 GFADRO Cc1ccc(F)c(C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)c1Br ZINC000376477855 563443811 /nfs/dbraw/zinc/44/38/11/563443811.db2.gz NFZCJTJRKCOYCR-ZDUSSCGKSA-N 1 0 398.320 2.795 20 0 GFADRO CCOc1ccc(Br)cc1S(=O)(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000319793515 563445543 /nfs/dbraw/zinc/44/55/43/563445543.db2.gz IHWWKSXKEPVEKV-AWEZNQCLSA-N 1 0 399.310 2.826 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NCc2ccc(Cl)cc2Cl)[C@@H](C)C1 ZINC000283475807 563445827 /nfs/dbraw/zinc/44/58/27/563445827.db2.gz XKBLRTUSRYDGCK-LRDDRELGSA-N 1 0 386.323 2.798 20 0 GFADRO O[C@@H](C[NH2+]Cc1ccc2c(c1)OCO2)COc1cccc(Br)c1 ZINC000320339998 563446283 /nfs/dbraw/zinc/44/62/83/563446283.db2.gz BLWXUYHGAOLRMK-AWEZNQCLSA-N 1 0 380.238 2.707 20 0 GFADRO CC[NH+]1CCC(NC(=O)C(=O)NC[C@H](C)c2c(Cl)cccc2Cl)CC1 ZINC000283495534 563446697 /nfs/dbraw/zinc/44/66/97/563446697.db2.gz PFSNNEOYODCCFD-LBPRGKRZSA-N 1 0 386.323 2.814 20 0 GFADRO Cc1ccc(NC(=O)CN2CCC(OCCC[NH3+])CC2)c(Br)c1 ZINC000321338475 563447813 /nfs/dbraw/zinc/44/78/13/563447813.db2.gz DDGOUTOCVBTQHF-UHFFFAOYSA-N 1 0 384.318 2.526 20 0 GFADRO C[C@@H](Cn1cc(Br)cn1)[NH2+]Cc1cc2ccccc2n(C)c1=O ZINC000426288464 563448420 /nfs/dbraw/zinc/44/84/20/563448420.db2.gz BRTMTNRZHNVRPD-LBPRGKRZSA-N 1 0 375.270 2.676 20 0 GFADRO CNC(=O)c1cccc(NC(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1Br ZINC000376715992 563452185 /nfs/dbraw/zinc/45/21/85/563452185.db2.gz DURVTFFGHMFPSP-NWDGAFQWSA-N 1 0 395.301 2.557 20 0 GFADRO C[C@@H](NC(=O)C(=O)NC1CC[NH+](C2CC2)CC1)c1cccc(Cl)c1Cl ZINC000283870542 563457624 /nfs/dbraw/zinc/45/76/24/563457624.db2.gz HLRBVLAKJDUCFL-LLVKDONJSA-N 1 0 384.307 2.914 20 0 GFADRO Cc1csc(-c2cccc(S(=O)(=O)N3CCN4CCCC[C@@H]4C3)c2)n1 ZINC000328686236 563463344 /nfs/dbraw/zinc/46/33/44/563463344.db2.gz YBMRHHQGUNGJDD-MRXNPFEDSA-N 1 0 377.535 2.977 20 0 GFADRO Cc1sc(=O)n(CC(=O)N2CCN(C)[C@H](c3ccccc3Cl)C2)c1C ZINC000377131589 563464330 /nfs/dbraw/zinc/46/43/30/563464330.db2.gz RRSJCKPODSYYAI-INIZCTEOSA-N 1 0 379.913 2.695 20 0 GFADRO Cc1cn2c(n1)[C@H](CNC(=O)c1[nH]nc(C3CC3)c1Br)CCC2 ZINC000328764381 563464472 /nfs/dbraw/zinc/46/44/72/563464472.db2.gz DSKGICDBHXTWLQ-NSHDSACASA-N 1 0 378.274 2.862 20 0 GFADRO O=S(=O)(c1cc(Cl)ccc1F)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000284127035 563464913 /nfs/dbraw/zinc/46/49/13/563464913.db2.gz DCMAOARCMQBHAV-UHFFFAOYSA-N 1 0 390.908 2.745 20 0 GFADRO C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)c1csc(NC2CC2)n1 ZINC000427358824 563465875 /nfs/dbraw/zinc/46/58/75/563465875.db2.gz KTHJDFXPSCTOAM-UHFFFAOYSA-N 1 0 378.929 3.575 20 0 GFADRO O=C(C[C@@H]1CCC[NH2+]CC1)NCc1cc(Br)c2c(c1)OCCO2 ZINC000427369958 563466205 /nfs/dbraw/zinc/46/62/05/563466205.db2.gz MHFNYBGHPIYKSW-GFCCVEGCSA-N 1 0 383.286 2.616 20 0 GFADRO C[C@@H](Cn1cc(Br)cn1)[NH2+]C[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000377258975 563468714 /nfs/dbraw/zinc/46/87/14/563468714.db2.gz ULMCGHPKRVROBJ-QRTARXTBSA-N 1 0 378.318 2.712 20 0 GFADRO C[N@@H+]1CC[C@H]2[C@H](CCCN2S(=O)(=O)c2ccc(Br)c(F)c2)C1 ZINC000427804129 563476306 /nfs/dbraw/zinc/47/63/06/563476306.db2.gz XJLDLFPVWXVNHG-ABAIWWIYSA-N 1 0 391.306 2.693 20 0 GFADRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2S(=O)(=O)c2ccc(Br)s2)C1 ZINC000427812067 563477001 /nfs/dbraw/zinc/47/70/01/563477001.db2.gz PCCWBXUVWOJCPJ-WDEREUQCSA-N 1 0 379.345 2.615 20 0 GFADRO NC(=O)[C@@H]([NH2+][C@@H]1CCN(c2ccccc2F)C1)c1ccc(Br)cc1 ZINC000427834635 563477055 /nfs/dbraw/zinc/47/70/55/563477055.db2.gz KJEKANAMFZHFMY-PBHICJAKSA-N 1 0 392.272 2.983 20 0 GFADRO Cc1ccc(C[C@H](C)NC(=O)C(=O)NC[C@@H](c2cccs2)[NH+](C)C)s1 ZINC000284506602 563477695 /nfs/dbraw/zinc/47/76/95/563477695.db2.gz SMFVETQUDNAEQH-WFASDCNBSA-N 1 0 379.551 2.584 20 0 GFADRO O=C(c1ccn(-c2cccc(Br)c2)n1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000377526476 563477771 /nfs/dbraw/zinc/47/77/71/563477771.db2.gz VTYYUAFQEFZDQB-GOSISDBHSA-N 1 0 389.297 2.851 20 0 GFADRO O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccn(-c2cccc(Br)c2)n1 ZINC000377574816 563479024 /nfs/dbraw/zinc/47/90/24/563479024.db2.gz ISGAHBRVFSEEQQ-GJZGRUSLSA-N 1 0 389.297 2.991 20 0 GFADRO CC[NH+](CC)[C@@H](CNC(=O)C(=O)NCC1CCSCC1)c1ccsc1 ZINC000284558786 563480241 /nfs/dbraw/zinc/48/02/41/563480241.db2.gz MKDSVKURRSZUIV-INIZCTEOSA-N 1 0 383.583 2.507 20 0 GFADRO O=C1NC[C@@H]2C[N@H+](Cc3ncc(-c4cccc(Br)c4)o3)CC[C@H]12 ZINC000377663885 563482145 /nfs/dbraw/zinc/48/21/45/563482145.db2.gz CWZOLRCMOWTGHS-OCCSQVGLSA-N 1 0 376.254 2.672 20 0 GFADRO O=C(COc1ccc(F)cc1Br)NCCC[NH2+]Cc1cccnc1 ZINC000428125790 563483149 /nfs/dbraw/zinc/48/31/49/563483149.db2.gz ORRAKCKXTRRPBD-UHFFFAOYSA-N 1 0 396.260 2.658 20 0 GFADRO O=C(c1[nH]nc(C2CC2)c1Br)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000329619859 563483612 /nfs/dbraw/zinc/48/36/12/563483612.db2.gz GODVSPAKIBQUIP-GFCCVEGCSA-N 1 0 381.318 2.998 20 0 GFADRO Cc1[nH]c(=O)c(Br)cc1-c1nc([C@H]2CN3CCC[C@@]3(C)CO2)no1 ZINC000329654012 563484351 /nfs/dbraw/zinc/48/43/51/563484351.db2.gz FCXULOYCVBAEEK-WBMJQRKESA-N 1 0 395.257 2.834 20 0 GFADRO C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@H]1CSc2ccc(Br)cc21 ZINC000428191257 563484554 /nfs/dbraw/zinc/48/45/54/563484554.db2.gz JPRJQTZZUWDARK-FZMZJTMJSA-N 1 0 385.327 2.680 20 0 GFADRO Cc1sc(=O)n(CCC(=O)NC[C@@H]2CC[N@@H+](C)[C@@H]2c2cccs2)c1C ZINC000377773362 563486480 /nfs/dbraw/zinc/48/64/80/563486480.db2.gz DPLHWSKGRGVBAK-YOEHRIQHSA-N 1 0 379.551 2.787 20 0 GFADRO CN(C(=O)c1cc(I)ccc1Cl)C1CC[NH2+]CC1 ZINC000428318870 563487326 /nfs/dbraw/zinc/48/73/26/563487326.db2.gz CRWILJMNYOOATA-UHFFFAOYSA-N 1 0 378.641 2.769 20 0 GFADRO C[C@@H]1CN(C(=O)C[NH2+][C@@H](c2cncc(Br)c2)C2CC2)C[C@@H](C)O1 ZINC000284822123 563491257 /nfs/dbraw/zinc/49/12/57/563491257.db2.gz PXKCOTHYOJKPGB-PSTGCABASA-N 1 0 382.302 2.521 20 0 GFADRO C[S@](=O)c1ccc(NC(=O)NC2CCN(Cc3cscn3)CC2)cc1 ZINC000377944013 563491620 /nfs/dbraw/zinc/49/16/20/563491620.db2.gz IMIXJDVILOAMDI-VWLOTQADSA-N 1 0 378.523 2.667 20 0 GFADRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NS(=O)(=O)c1ccc(Cl)c(Br)c1 ZINC000428414932 563491597 /nfs/dbraw/zinc/49/15/97/563491597.db2.gz SGCNJGWTHTXICZ-LKFCYVNXSA-N 1 0 393.734 2.864 20 0 GFADRO CN1C(=O)N[C@]2(CCC[C@H]2C[NH2+]Cc2csc(-c3ccsc3)n2)C1=O ZINC000377977662 563492795 /nfs/dbraw/zinc/49/27/95/563492795.db2.gz MKUVBPRNGBNGFP-SJCJKPOMSA-N 1 0 376.507 2.682 20 0 GFADRO CS[C@@H]1CN(S(=O)(=O)c2ccc3nc(C)sc3c2)C[C@@H]1[NH+]1CCCC1 ZINC000330181818 563497759 /nfs/dbraw/zinc/49/77/59/563497759.db2.gz GXFNOERKKMGBJO-DOTOQJQBSA-N 1 0 397.591 2.805 20 0 GFADRO COc1ccc(Br)c(C(=O)N2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)c1 ZINC000378226677 563499002 /nfs/dbraw/zinc/49/90/02/563499002.db2.gz VWNJLAVJUOTCHE-OAUYIBNBSA-N 1 0 397.313 2.781 20 0 GFADRO O=C(NCc1cccs1)c1cc(NC(=O)[C@]2(F)CC[NH2+]C2)ccc1Cl ZINC000378212053 563499041 /nfs/dbraw/zinc/49/90/41/563499041.db2.gz TUYJSGOOUNXDMT-KRWDZBQOSA-N 1 0 381.860 2.972 20 0 GFADRO Cc1cccc(C(=O)NC[C@@H]2CCC[C@H]2[NH+]2CCOCC2)c1Br ZINC000378273082 563501043 /nfs/dbraw/zinc/50/10/43/563501043.db2.gz QMCAUCKWQACEFB-GOEBONIOSA-N 1 0 381.314 2.988 20 0 GFADRO C[C@@H]([NH2+][C@H](CO)c1ccc(Br)cc1)C(=O)NCc1ccccc1F ZINC000428797253 563501876 /nfs/dbraw/zinc/50/18/76/563501876.db2.gz PQWMVIBCYSDFKW-SJKOYZFVSA-N 1 0 395.272 2.916 20 0 GFADRO [NH3+]C[C@H]1CC[C@H](NC(=O)c2ccc(I)c(Cl)c2)C1 ZINC000382441973 563516056 /nfs/dbraw/zinc/51/60/56/563516056.db2.gz QEXIEBJQZVZPRJ-WPRPVWTQSA-N 1 0 378.641 2.802 20 0 GFADRO C[C@@H]1CN(C(=O)c2cc(F)ccc2Br)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000378321176 563503027 /nfs/dbraw/zinc/50/30/27/563503027.db2.gz WVNXZYHHPXJDHL-CXAGYDPISA-N 1 0 398.320 2.686 20 0 GFADRO Cc1cccc(C(=O)N2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)c1Br ZINC000378321152 563503046 /nfs/dbraw/zinc/50/30/46/563503046.db2.gz RRBCTMZNSAXBTR-DOTOQJQBSA-N 1 0 394.357 2.856 20 0 GFADRO COc1cc(Br)c(CN2CCn3c(nnc3C3CC3)C2)c(OC)c1 ZINC000378353264 563503719 /nfs/dbraw/zinc/50/37/19/563503719.db2.gz YZUGCYSCYDMYKX-UHFFFAOYSA-N 1 0 393.285 2.951 20 0 GFADRO O=C(Nc1cnc2c(c1)C[NH2+]CC2)c1ccn(-c2cccc(Br)c2)n1 ZINC000378402887 563505082 /nfs/dbraw/zinc/50/50/82/563505082.db2.gz XAVLAQFGUMHPIT-UHFFFAOYSA-N 1 0 398.264 2.928 20 0 GFADRO C[C@@H](NC(=O)c1cc(=O)[nH]c2c(Br)cccc12)[C@H]1CCC[NH2+]C1 ZINC000428976297 563505698 /nfs/dbraw/zinc/50/56/98/563505698.db2.gz LHPWIGZIYSWEMV-MNOVXSKESA-N 1 0 378.270 2.821 20 0 GFADRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)c1cc(Br)ccc1Br ZINC000389738177 563521904 /nfs/dbraw/zinc/52/19/04/563521904.db2.gz WQDLKEKHTFHULI-QPUJVOFHSA-N 1 0 376.092 2.939 20 0 GFADRO O=S(=O)(CCC(F)(F)F)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000285193746 563507761 /nfs/dbraw/zinc/50/77/61/563507761.db2.gz CMPNQIKWBBLSKN-INIZCTEOSA-N 1 0 376.444 2.867 20 0 GFADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc(F)c(I)c3)C[C@@H]21 ZINC000378457950 563507739 /nfs/dbraw/zinc/50/77/39/563507739.db2.gz FGAGHGFUFRFISB-YGRLFVJLSA-N 1 0 388.224 2.597 20 0 GFADRO C[C@@H]([NH3+])CCNC(=O)c1cccn1-c1cccc(I)c1 ZINC000429054785 563509566 /nfs/dbraw/zinc/50/95/66/563509566.db2.gz RFLZKIVUBQEIOO-LLVKDONJSA-N 1 0 383.233 2.549 20 0 GFADRO CS(=O)(=O)Nc1c[nH]nc1[C@@H]1CCC[N@H+](CCc2ccccc2Cl)C1 ZINC000378528709 563510033 /nfs/dbraw/zinc/51/00/33/563510033.db2.gz AMXFHIVVGJWDSP-CQSZACIVSA-N 1 0 382.917 2.857 20 0 GFADRO C[C@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH2+]CCS(C)(=O)=O ZINC000285245523 563510441 /nfs/dbraw/zinc/51/04/41/563510441.db2.gz AFJJHIGKUFEMDA-SECBINFHSA-N 1 0 386.823 2.710 20 0 GFADRO C[C@H]1CCCN(C(=O)c2cnc(Sc3nccn3C)c(Cl)c2)[C@@H]1C[NH3+] ZINC000429160369 563510914 /nfs/dbraw/zinc/51/09/14/563510914.db2.gz HCNGAYLQACTGCL-SMDDNHRTSA-N 1 0 379.917 2.819 20 0 GFADRO CC(C)Cc1ncnc(N2CCC[C@@H]([NH+](C)C)C2)c1I ZINC000429191736 563511506 /nfs/dbraw/zinc/51/15/06/563511506.db2.gz FFXDDESBSYWKFJ-GFCCVEGCSA-N 1 0 388.297 2.810 20 0 GFADRO Cc1sc2nc(CS[C@H](C)C(=O)NC[C@@H]([NH3+])C(C)C)[nH]c(=O)c2c1C ZINC000429195271 563511914 /nfs/dbraw/zinc/51/19/14/563511914.db2.gz VSTFCLXHBFRCLZ-VXGBXAGGSA-N 1 0 382.555 2.735 20 0 GFADRO C[C@H](C(=O)Nc1cccc(Br)c1)N1CCO[C@@]2(CCCOC2)C1 ZINC000285284947 563512314 /nfs/dbraw/zinc/51/23/14/563512314.db2.gz JSHXAHRAXYDGHE-DYVFJYSZSA-N 1 0 383.286 2.658 20 0 GFADRO O[C@@H](COc1ccc(Br)cc1)C[N@@H+]1CCOC[C@H](C2CCC2)C1 ZINC000429263914 563513373 /nfs/dbraw/zinc/51/33/73/563513373.db2.gz AYWBYEJMYQBHRD-NVXWUHKLSA-N 1 0 384.314 2.937 20 0 GFADRO Cc1cc(CC(C)(C)[NH2+]CCN2C(=O)NC(C)(C)C2=O)ccc1Br ZINC000429267218 563513463 /nfs/dbraw/zinc/51/34/63/563513463.db2.gz LTQUCLWBIFTTHZ-UHFFFAOYSA-N 1 0 396.329 2.999 20 0 GFADRO COC(=O)Cn1cc(CC[N@@H+]2CCC[C@H]2c2ccc(Br)s2)nn1 ZINC000378646914 563513653 /nfs/dbraw/zinc/51/36/53/563513653.db2.gz HZRAEOUSDPPURP-LBPRGKRZSA-N 1 0 399.314 2.655 20 0 GFADRO CC1(C)Cc2ccc(Br)cc2[C@H]1[NH2+]CCC(=O)N1CCOCC1 ZINC000429305995 563513826 /nfs/dbraw/zinc/51/38/26/563513826.db2.gz MVKDZABYLKSBOA-QGZVFWFLSA-N 1 0 381.314 2.911 20 0 GFADRO CN(C[C@H]1CCC[N@@H+]1C)S(=O)(=O)c1c(Cl)cccc1Br ZINC000380099882 563514358 /nfs/dbraw/zinc/51/43/58/563514358.db2.gz MYBRNKUMHQGAKA-SNVBAGLBSA-N 1 0 381.723 2.817 20 0 GFADRO COc1cc(C[NH2+][C@@H](C)C(C)(C)n2cncn2)cc(Br)c1OC ZINC000285339853 563515867 /nfs/dbraw/zinc/51/58/67/563515867.db2.gz UROVQAWVKCFYSC-NSHDSACASA-N 1 0 383.290 2.971 20 0 GFADRO C[C@@H]1CN([C@H](C(N)=O)c2cccc(Br)c2)CC[N@@H+](C2CCC2)C1 ZINC000429411786 563516419 /nfs/dbraw/zinc/51/64/19/563516419.db2.gz WSYQTBUUCVZMHC-GUYCJALGSA-N 1 0 380.330 2.782 20 0 GFADRO C[C@@H](C[NH+](C)C)NC(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000330687145 563517788 /nfs/dbraw/zinc/51/77/88/563517788.db2.gz VXDMAXJDPKLPQI-JSGCOSHPSA-N 1 0 386.323 2.912 20 0 GFADRO Cc1cc(S(=O)(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)ccc1Br ZINC000386826459 563518895 /nfs/dbraw/zinc/51/88/95/563518895.db2.gz SSZCUWRSUZCBSP-CZUORRHYSA-N 1 0 387.343 2.910 20 0 GFADRO CC(C)CN(C)S(=O)(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000330724349 563519188 /nfs/dbraw/zinc/51/91/88/563519188.db2.gz GROCIOUESFSIHV-UHFFFAOYSA-N 1 0 387.977 2.974 20 0 GFADRO O=c1cc(C[N@H+]2CCC[C@](O)(C(F)(F)F)CC2)nc2ccc(Cl)cn12 ZINC000285419802 563520082 /nfs/dbraw/zinc/52/00/82/563520082.db2.gz DOSSMDYFXHPVSM-OAHLLOKOSA-N 1 0 375.778 2.627 20 0 GFADRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)C(=O)c2ccc(Cl)s2)CC1 ZINC000429667603 563520246 /nfs/dbraw/zinc/52/02/46/563520246.db2.gz LBYRDRUADBMLIT-OKILXGFUSA-N 1 0 383.945 2.601 20 0 GFADRO CS(=O)(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCOc1ccc(Cl)cc1Cl ZINC000429722810 563521515 /nfs/dbraw/zinc/52/15/15/563521515.db2.gz TVWGGRANIJKYNF-ZIAGYGMSSA-N 1 0 381.325 2.822 20 0 GFADRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000429774992 563522764 /nfs/dbraw/zinc/52/27/64/563522764.db2.gz OQQMQGZVWISJGP-PWSUYJOCSA-N 1 0 377.794 2.802 20 0 GFADRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+]CC(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000429773720 563522912 /nfs/dbraw/zinc/52/29/12/563522912.db2.gz LJBIZAJEZFADTE-ZYHUDNBSSA-N 1 0 377.794 2.802 20 0 GFADRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2cn3ccc(Br)cc3n2)C1 ZINC000285490815 563523772 /nfs/dbraw/zinc/52/37/72/563523772.db2.gz AIZVDWCWFQJKCO-SWLSCSKDSA-N 1 0 377.286 2.653 20 0 GFADRO C[NH+](C)C[C@H]1CCCN1S(=O)(=O)c1cc(Cl)ccc1Br ZINC000429830562 563524122 /nfs/dbraw/zinc/52/41/22/563524122.db2.gz WVVASAMTPCATIC-LLVKDONJSA-N 1 0 381.723 2.817 20 0 GFADRO CC[N@H+](CCC1CCN(S(=O)(=O)c2c(Cl)cnn2C)CC1)CC(C)C ZINC000429842149 563524983 /nfs/dbraw/zinc/52/49/83/563524983.db2.gz GPCDAITYLHLPIG-UHFFFAOYSA-N 1 0 390.981 2.842 20 0 GFADRO C[C@H](NC(=O)c1ccc(Br)cc1)C(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000330900018 563526136 /nfs/dbraw/zinc/52/61/36/563526136.db2.gz JPRUFJVEBDKJAY-HEHGZKQESA-N 1 0 396.329 2.509 20 0 GFADRO C[C@@H](CC(=O)NCc1cc(Br)c2c(c1)OCCO2)[C@H]1CCC[NH2+]C1 ZINC000429886846 563527329 /nfs/dbraw/zinc/52/73/29/563527329.db2.gz GWUKWRMYHXAZPZ-JSGCOSHPSA-N 1 0 397.313 2.862 20 0 GFADRO C[NH+]1CCN(c2ccc(CNC(=O)c3cscc3Br)cn2)CC1 ZINC000285614000 563528984 /nfs/dbraw/zinc/52/89/84/563528984.db2.gz WOXVNDIUXGZLLE-UHFFFAOYSA-N 1 0 395.326 2.587 20 0 GFADRO [NH3+][C@H]1CCCCCC[C@H]1C(=O)NCCNC(=O)c1ccc(Br)cc1 ZINC000429963331 563529874 /nfs/dbraw/zinc/52/98/74/563529874.db2.gz DKSKDJIICGYOTB-CVEARBPZSA-N 1 0 396.329 2.593 20 0 GFADRO CN1CCO[C@@H]2CCN(C(=O)Nc3ccc(Cl)c(OC(F)F)c3)C[C@@H]21 ZINC000285633230 563530300 /nfs/dbraw/zinc/53/03/00/563530300.db2.gz ZZCRPGSNGBGCDC-QWHCGFSZSA-N 1 0 375.803 2.878 20 0 GFADRO CS(=O)(=O)N[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(OC(F)F)c(Cl)c1 ZINC000331015077 563531430 /nfs/dbraw/zinc/53/14/30/563531430.db2.gz OWGPVQCEOLKQIU-QWHCGFSZSA-N 1 0 382.860 2.891 20 0 GFADRO Cc1cc(S(=O)(=O)N2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)sc1Br ZINC000397292559 563531739 /nfs/dbraw/zinc/53/17/39/563531739.db2.gz XWZINHUDUWEMEG-MIMYLULJSA-N 1 0 381.361 2.813 20 0 GFADRO C[C@@H]1C[C@H](C)N(S(=O)(=O)c2ccc(F)cc2Br)C[C@H]1C[NH3+] ZINC000397320381 563531865 /nfs/dbraw/zinc/53/18/65/563531865.db2.gz SNEJDMKCVLQPEA-OUAUKWLOSA-N 1 0 379.295 2.582 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCCN(S(C)(=O)=O)C1)c1ccc(Br)cc1F ZINC000400153815 563534489 /nfs/dbraw/zinc/53/44/89/563534489.db2.gz CRRXQLXXUHUUPO-CMPLNLGQSA-N 1 0 379.295 2.663 20 0 GFADRO CCC(C)(C)[NH2+][C@@H](C)C(=O)NC[C@H](CO)Cc1ccc(Br)cc1 ZINC000430155808 563536674 /nfs/dbraw/zinc/53/66/74/563536674.db2.gz CLQXCTJFNQVJCJ-DZGCQCFKSA-N 1 0 385.346 2.883 20 0 GFADRO CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H](CO)Cc1cccc(Br)c1 ZINC000430156080 563536785 /nfs/dbraw/zinc/53/67/85/563536785.db2.gz LVSSCHIQHATYDJ-RDJZCZTQSA-N 1 0 383.330 2.591 20 0 GFADRO CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H](CO)Cc1ccccc1Br ZINC000430163405 563537270 /nfs/dbraw/zinc/53/72/70/563537270.db2.gz HPYYXANMCYQQRH-RHSMWYFYSA-N 1 0 383.330 2.591 20 0 GFADRO Cc1sc(Br)cc1S(=O)(=O)N1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000405285331 563538541 /nfs/dbraw/zinc/53/85/41/563538541.db2.gz VPDOYEAOECHZQG-KOLCDFICSA-N 1 0 381.361 2.957 20 0 GFADRO C[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2Br)[C@@H]1CC[NH3+] ZINC000405255311 563538560 /nfs/dbraw/zinc/53/85/60/563538560.db2.gz LVZCATUKRWOJFV-ZWNOBZJWSA-N 1 0 379.295 2.726 20 0 GFADRO NC(=O)[C@H](c1ccc(Br)cc1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000331180498 563538581 /nfs/dbraw/zinc/53/85/81/563538581.db2.gz QYXDZXDCLZOHDB-BBRMVZONSA-N 1 0 382.302 2.680 20 0 GFADRO CS(=O)(=O)N[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(Br)cc1F ZINC000331207404 563540725 /nfs/dbraw/zinc/54/07/25/563540725.db2.gz YURBGADOAJTMSI-KGLIPLIRSA-N 1 0 379.295 2.538 20 0 GFADRO CC(C)[N@@H+]1CCC[C@@H](NS(=O)(=O)c2ccc(OCC(F)(F)F)cc2)C1 ZINC000331229319 563541287 /nfs/dbraw/zinc/54/12/87/563541287.db2.gz GWJJSDFVYCTXHQ-CYBMUJFWSA-N 1 0 380.432 2.779 20 0 GFADRO C[C@H]1C[C@H](C)C[NH+](CCCNS(=O)(=O)c2cnccc2C(F)(F)F)C1 ZINC000331262457 563542959 /nfs/dbraw/zinc/54/29/59/563542959.db2.gz DLKMTEFNKRSMQK-STQMWFEESA-N 1 0 379.448 2.747 20 0 GFADRO CC(C)N(C)C(=O)C[NH+]1CCC(C(=O)Nc2ccccc2Br)CC1 ZINC000331276149 563543654 /nfs/dbraw/zinc/54/36/54/563543654.db2.gz CLRKGTOYRIREMY-UHFFFAOYSA-N 1 0 396.329 2.966 20 0 GFADRO CC[C@@H](Cc1ccccc1Br)NC(=O)[C@]1(CCOC)CC[NH2+]C1 ZINC000430455230 563544031 /nfs/dbraw/zinc/54/40/31/563544031.db2.gz ZZRPZLOHJURDAQ-YJBOKZPZSA-N 1 0 383.330 2.903 20 0 GFADRO CC(=O)Nc1ccc(S(=O)(=O)N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)cc1Cl ZINC000331300561 563544089 /nfs/dbraw/zinc/54/40/89/563544089.db2.gz PJIGMSYERZKPBY-QWHCGFSZSA-N 1 0 387.933 2.697 20 0 GFADRO Cc1ccc(NC(=O)[C@@H](C)N2CCC(OCCC[NH3+])CC2)c(Br)c1 ZINC000430586932 563546128 /nfs/dbraw/zinc/54/61/28/563546128.db2.gz XQWXXLDLJLOWGD-CQSZACIVSA-N 1 0 398.345 2.914 20 0 GFADRO O=C(c1cnc2ccc(Br)cc2c1O)N1CCN2CCCC[C@@H]2C1 ZINC000408193455 563547198 /nfs/dbraw/zinc/54/71/98/563547198.db2.gz CKHKCBBUOUCTDM-CYBMUJFWSA-N 1 0 390.281 2.601 20 0 GFADRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1CCC(=O)Nc1ccccc1Br ZINC000331355764 563547387 /nfs/dbraw/zinc/54/73/87/563547387.db2.gz RBIQRRRLKBNROW-CQSZACIVSA-N 1 0 398.345 2.555 20 0 GFADRO O=S(=O)(c1ccc(Br)o1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000408214308 563547423 /nfs/dbraw/zinc/54/74/23/563547423.db2.gz MNASBYUOEMZONU-LBPRGKRZSA-N 1 0 377.304 2.681 20 0 GFADRO O=S(=O)(c1ccc(Br)o1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000408215537 563548195 /nfs/dbraw/zinc/54/81/95/563548195.db2.gz SRDFTBQLXVTVAN-WCQYABFASA-N 1 0 389.315 2.680 20 0 GFADRO C[C@H]([NH2+][C@@H](CCO)C(C)(C)C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430747920 563549122 /nfs/dbraw/zinc/54/91/22/563549122.db2.gz NTDWNSLKUACVKG-HZMBPMFUSA-N 1 0 393.347 2.544 20 0 GFADRO C[C@H]1C[C@H](NS(=O)(=O)c2ccc(OCC(F)(F)F)cc2)C[N@@H+]1C1CC1 ZINC000331481434 563550696 /nfs/dbraw/zinc/55/06/96/563550696.db2.gz JLYKUCBITTXQQN-RYUDHWBXSA-N 1 0 378.416 2.531 20 0 GFADRO Cc1cc(F)c(Br)cc1NC(=O)N1CC[N@@H+](C[C@@H](C)O)C[C@@H]1C ZINC000286161912 563550980 /nfs/dbraw/zinc/55/09/80/563550980.db2.gz LWGIKIBOYQYTJN-NWDGAFQWSA-N 1 0 388.281 2.815 20 0 GFADRO COc1cc(Br)c(S(=O)(=O)NC(C)(C)CCC[NH3+])cc1Cl ZINC000431041640 563552316 /nfs/dbraw/zinc/55/23/16/563552316.db2.gz XHJQAZMOZYWXRH-UHFFFAOYSA-N 1 0 399.738 2.907 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S(=O)(=O)CC[NH2+][C@@H]1CCC[C@H]1CC ZINC000286283107 563554866 /nfs/dbraw/zinc/55/48/66/563554866.db2.gz UQVNTHYVQSZLDN-HZPDHXFCSA-N 1 0 387.567 2.812 20 0 GFADRO O[C@H](COc1cccc(Br)c1)C[N@@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000431159480 563554884 /nfs/dbraw/zinc/55/48/84/563554884.db2.gz OWVKFOQQHYIEBA-MAUKXSAKSA-N 1 0 393.281 2.737 20 0 GFADRO CC(C)(C)OC(=O)NCCC[NH2+]Cc1ncc(I)s1 ZINC000286309369 563555529 /nfs/dbraw/zinc/55/55/29/563555529.db2.gz CVDSNFVTBGXYMU-UHFFFAOYSA-N 1 0 397.282 2.752 20 0 GFADRO O=S(=O)(c1cnccc1C(F)(F)F)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000408430686 563556041 /nfs/dbraw/zinc/55/60/41/563556041.db2.gz XAEWYYOVUCEENG-CYBMUJFWSA-N 1 0 377.432 2.739 20 0 GFADRO CC[NH+](CC)CCN(CCOC)S(=O)(=O)Cc1cc(Cl)ccc1F ZINC000431308618 563558256 /nfs/dbraw/zinc/55/82/56/563558256.db2.gz WASYFBYZMSBIPX-UHFFFAOYSA-N 1 0 380.913 2.599 20 0 GFADRO CC(C)Oc1cc(Br)cc(C(=O)NC[C@@](C)(O)CC[NH+](C)C)c1 ZINC000431393442 563559780 /nfs/dbraw/zinc/55/97/80/563559780.db2.gz UBOKXJZEXAEPKG-KRWDZBQOSA-N 1 0 387.318 2.669 20 0 GFADRO Cc1cc(Br)cc2cc(C(=O)NC[C@](C)(O)CC[NH+](C)C)oc21 ZINC000431377110 563559814 /nfs/dbraw/zinc/55/98/14/563559814.db2.gz XUHXFVCMQBDIAV-QGZVFWFLSA-N 1 0 383.286 2.936 20 0 GFADRO COCC[NH+](CCOC)C1CCN(c2nccc(C)c2Br)CC1 ZINC000286467759 563561287 /nfs/dbraw/zinc/56/12/87/563561287.db2.gz TYXQIEKFKCIBDP-UHFFFAOYSA-N 1 0 386.334 2.716 20 0 GFADRO CC[S@](=O)[C@@H]1CCC[C@@H]([NH2+]Cc2ncc(I)s2)C1 ZINC000286515353 563563454 /nfs/dbraw/zinc/56/34/54/563563454.db2.gz NADCXGKUDDVNHJ-MHNGPXOMSA-N 1 0 398.335 2.917 20 0 GFADRO Cc1cnc(C[N@@H+]2CCC[C@H](C(=O)Nc3ccc(Br)cn3)C2)cn1 ZINC000331831420 563564271 /nfs/dbraw/zinc/56/42/71/563564271.db2.gz RYFNWNCNKAKHCQ-ZDUSSCGKSA-N 1 0 390.285 2.793 20 0 GFADRO O=C([C@@H]1C[C@@]12CCc1cc(Br)ccc12)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000409594731 563566393 /nfs/dbraw/zinc/56/63/93/563566393.db2.gz NJRQQNCWUYJMEB-VDZJLULYSA-N 1 0 375.310 2.960 20 0 GFADRO Cc1c([C@H]2OCC[C@@H]2[NH2+]Cc2cc3c(c(Br)c2)OCO3)cnn1C ZINC000431688613 563566769 /nfs/dbraw/zinc/56/67/69/563566769.db2.gz VPNIZBPKCKLIPV-GOEBONIOSA-N 1 0 394.269 2.840 20 0 GFADRO COc1nc(C)c(Br)cc1C(=O)N1CC[C@@H]([NH+]2CCCC2)[C@@H]1C ZINC000286624747 563567847 /nfs/dbraw/zinc/56/78/47/563567847.db2.gz AMTUYBYUJARDHP-SWLSCSKDSA-N 1 0 382.302 2.860 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N2CCC[C@@H]([NH+](C)C)C2)c(Br)c1 ZINC000431761147 563568374 /nfs/dbraw/zinc/56/83/74/563568374.db2.gz YTXIFOBOBVMQAI-CYBMUJFWSA-N 1 0 382.302 2.557 20 0 GFADRO C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000409711894 563569425 /nfs/dbraw/zinc/56/94/25/563569425.db2.gz MJOFDAUYAPPJNZ-UKRRQHHQSA-N 1 0 389.323 2.970 20 0 GFADRO C[C@H]1CCC[N@H+](CCNC(=O)c2cc(Br)c3c(c2)OCCO3)C1 ZINC000331980956 563569700 /nfs/dbraw/zinc/56/97/00/563569700.db2.gz FMAWMSBLAOVHQD-LBPRGKRZSA-N 1 0 383.286 2.682 20 0 GFADRO C[C@@H]1[C@@H](NC(=O)N[C@@H]2COc3cc(F)c(Br)cc32)CCC[N@@H+]1C ZINC000409750083 563570014 /nfs/dbraw/zinc/57/00/14/563570014.db2.gz JNBGMIVKFFYULB-BIGNPOOSSA-N 1 0 386.265 2.804 20 0 GFADRO CC[NH+](CC)C[C@H]1CCCC[C@@H]1NS(=O)(=O)c1cc(C(=O)OC)cs1 ZINC000431895714 563570464 /nfs/dbraw/zinc/57/04/64/563570464.db2.gz GHDVSLZANLCVEI-HIFRSBDPSA-N 1 0 388.555 2.714 20 0 GFADRO Cn1nccc1[C@H]1[C@H]([NH2+]Cc2ccc(Br)c(F)c2)CCC(=O)N1C ZINC000332078025 563575160 /nfs/dbraw/zinc/57/51/60/563575160.db2.gz ZAFAXTQISUCQJH-RHSMWYFYSA-N 1 0 395.276 2.773 20 0 GFADRO Cc1cc(CNC(=O)c2c[nH+]ccc2N(C)C)ccc1I ZINC000410035140 563578979 /nfs/dbraw/zinc/57/89/79/563578979.db2.gz UXOIFTSLDCNMST-UHFFFAOYSA-N 1 0 395.244 2.991 20 0 GFADRO Cc1cccc(NC(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)c1Br ZINC000332207069 563583269 /nfs/dbraw/zinc/58/32/69/563583269.db2.gz XCPVMZRVZNINQY-AWEZNQCLSA-N 1 0 394.313 2.783 20 0 GFADRO CCS(=O)(=O)N1CC(C[NH2+]C2CC(c3cccc(Br)c3)C2)C1 ZINC000432426795 563584210 /nfs/dbraw/zinc/58/42/10/563584210.db2.gz VFZXLYUSDFZFCV-UHFFFAOYSA-N 1 0 387.343 2.566 20 0 GFADRO C[C@@H]1CCN(C(=O)N[C@@H]2COc3cc(F)c(Br)cc32)C[C@H]1C[NH3+] ZINC000332265054 563589221 /nfs/dbraw/zinc/58/92/21/563589221.db2.gz FIMYUSAPXZDNOB-GPCCPHFNSA-N 1 0 386.265 2.648 20 0 GFADRO CC[NH+](CC)C[C@H](C)NS(=O)(=O)Cc1cc(OC)ccc1Br ZINC000410391732 563589249 /nfs/dbraw/zinc/58/92/49/563589249.db2.gz WIVULBXTSDVFRH-LBPRGKRZSA-N 1 0 393.347 2.607 20 0 GFADRO C[C@@H](C[NH+](C)C)NC(=O)C[C@@](O)(c1nc2ccccc2s1)C(F)(F)F ZINC000287189356 563590858 /nfs/dbraw/zinc/59/08/58/563590858.db2.gz MCKXDPAJBUHZFT-ZUZCIYMTSA-N 1 0 375.416 2.503 20 0 GFADRO C[C@@H](N[C@@H](C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1)C(F)(F)F ZINC000287186272 563591028 /nfs/dbraw/zinc/59/10/28/563591028.db2.gz CXRRATCIIODGKT-QWHCGFSZSA-N 1 0 381.464 2.518 20 0 GFADRO CNC(=O)c1cccc(NC(=O)N2CCC[N@@H+](C(C)C)CC2)c1Br ZINC000287241744 563593021 /nfs/dbraw/zinc/59/30/21/563593021.db2.gz BZPIHYLOANVEMX-UHFFFAOYSA-N 1 0 397.317 2.757 20 0 GFADRO Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+]C[C@H](O)COCC(F)(F)F ZINC000432857415 563595261 /nfs/dbraw/zinc/59/52/61/563595261.db2.gz DSWUIJUIUUSFQW-KWQFWETISA-N 1 0 377.329 2.653 20 0 GFADRO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000410732161 563596278 /nfs/dbraw/zinc/59/62/78/563596278.db2.gz RLMXJFQNSPONQD-KGLIPLIRSA-N 1 0 384.307 2.647 20 0 GFADRO COC(=O)c1ccc(C[NH2+]C[C@H](CO)Cc2ccccc2Br)o1 ZINC000432901142 563596803 /nfs/dbraw/zinc/59/68/03/563596803.db2.gz DBIOZZTZPBBSRD-GFCCVEGCSA-N 1 0 382.254 2.770 20 0 GFADRO COC[C@H]([NH2+][C@H](C)CC(=O)Nc1cccc(Br)c1)[C@@H]1CCCO1 ZINC000432998615 563599540 /nfs/dbraw/zinc/59/95/40/563599540.db2.gz QXFTYMVMSZPMFV-KCXAZCMYSA-N 1 0 385.302 2.950 20 0 GFADRO Brc1cnn(CCC[NH2+]C2CCN(Cc3ccccn3)CC2)c1 ZINC000287402387 563599943 /nfs/dbraw/zinc/59/99/43/563599943.db2.gz RAEDTJLCHMLMCW-UHFFFAOYSA-N 1 0 378.318 2.685 20 0 GFADRO C[C@@H](O)C[N@@H+]1CCN(C(=O)NCc2nc3cc(Cl)ccc3s2)[C@H](C)C1 ZINC000287436117 563601080 /nfs/dbraw/zinc/60/10/80/563601080.db2.gz GZSDPCXBPIDQRV-VXGBXAGGSA-N 1 0 382.917 2.546 20 0 GFADRO CNC(=O)c1cccc(NC(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)c1Br ZINC000287453954 563602418 /nfs/dbraw/zinc/60/24/18/563602418.db2.gz QDKXNCPPMDUGOP-NSHDSACASA-N 1 0 395.301 2.581 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)CC[N@@H+]1C ZINC000332550355 563604357 /nfs/dbraw/zinc/60/43/57/563604357.db2.gz PFAIPPRDQPZOOY-TZMCWYRMSA-N 1 0 386.327 2.703 20 0 GFADRO O=C([C@@H]1CC[N@@H+](C[C@H](O)c2ccc(F)c(Br)c2)C1)N1CCCC1 ZINC000287510988 563605263 /nfs/dbraw/zinc/60/52/63/563605263.db2.gz ULXVXRBUEARVEP-CJNGLKHVSA-N 1 0 385.277 2.566 20 0 GFADRO O=C([C@@H]1CC[N@@H+](C[C@@H](O)c2ccc(F)c(Br)c2)C1)N1CCCC1 ZINC000287510994 563605339 /nfs/dbraw/zinc/60/53/39/563605339.db2.gz ULXVXRBUEARVEP-CZUORRHYSA-N 1 0 385.277 2.566 20 0 GFADRO OCC[N@H+](Cc1ccc(I)cc1)[C@@H]1CCCSC1 ZINC000433197730 563605668 /nfs/dbraw/zinc/60/56/68/563605668.db2.gz UHKXVUPREWYMJX-CQSZACIVSA-N 1 0 377.291 2.981 20 0 GFADRO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)Nc1cc(C)c(Br)c(F)c1 ZINC000411137924 563606939 /nfs/dbraw/zinc/60/69/39/563606939.db2.gz SWISRGGGALCXHY-LLVKDONJSA-N 1 0 388.281 2.682 20 0 GFADRO O=C(CC[N@@H+]1CC[C@H](c2cccc(Cl)c2)C1)NC(=O)NCC(F)(F)F ZINC000433305942 563609194 /nfs/dbraw/zinc/60/91/94/563609194.db2.gz QQAFXFCTKWMVBK-LBPRGKRZSA-N 1 0 377.794 2.908 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(I)cc1NC ZINC000411219191 563610620 /nfs/dbraw/zinc/61/06/20/563610620.db2.gz AYQQBOGESJDFOJ-GFCCVEGCSA-N 1 0 387.265 2.547 20 0 GFADRO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1cc(N(C)C)c(Br)cn1 ZINC000332678512 563611074 /nfs/dbraw/zinc/61/10/74/563611074.db2.gz OMTVNWPZMNISJV-NWDGAFQWSA-N 1 0 382.306 2.611 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000332688881 563611683 /nfs/dbraw/zinc/61/16/83/563611683.db2.gz QLUXOMISMGCKLU-YSVLISHTSA-N 1 0 395.345 2.939 20 0 GFADRO O=C(NCCCc1ccc(Cl)cc1Cl)c1ncn([C@H]2CCC[NH2+]C2)n1 ZINC000433405685 563612501 /nfs/dbraw/zinc/61/25/01/563612501.db2.gz IBYUFJWJGIFFSL-AWEZNQCLSA-N 1 0 382.295 2.872 20 0 GFADRO C[C@H]1COCC[C@H]1NC(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000433452945 563613227 /nfs/dbraw/zinc/61/32/27/563613227.db2.gz XRDZVNCIFHZVJX-WMLDXEAASA-N 1 0 398.345 2.947 20 0 GFADRO C[C@H]1C[C@H](NC(=O)c2cn(-c3ccc(Br)cc3)cn2)CC[N@@H+]1C ZINC000332713554 563613375 /nfs/dbraw/zinc/61/33/75/563613375.db2.gz ZEWWLTSNNGGBRN-GXTWGEPZSA-N 1 0 377.286 2.847 20 0 GFADRO CC[N@H+](CCNS(=O)(=O)c1cc(Br)sc1Cl)C1CC1 ZINC000433661316 563617653 /nfs/dbraw/zinc/61/76/53/563617653.db2.gz OVCOUPRBLGNJJA-UHFFFAOYSA-N 1 0 387.752 2.927 20 0 GFADRO CSc1cc(NC(=O)C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)ccc1Cl ZINC000411424931 563619088 /nfs/dbraw/zinc/61/90/88/563619088.db2.gz LKAYIWMBINDSRV-IUODEOHRSA-N 1 0 381.929 2.943 20 0 GFADRO CNc1cc(I)ccc1C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000411472763 563620503 /nfs/dbraw/zinc/62/05/03/563620503.db2.gz NQIOKXLDHLHROR-CHWSQXEVSA-N 1 0 399.276 2.690 20 0 GFADRO O=C(Nc1cnn(-c2ccccc2Br)c1)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000333113745 563620845 /nfs/dbraw/zinc/62/08/45/563620845.db2.gz GXQWELXGOBANBM-OLZOCXBDSA-N 1 0 390.285 2.708 20 0 GFADRO Cc1cc(Br)c(S(=O)(=O)N[C@H]2C[C@@H](C)n3ccnc32)s1 ZINC000333128380 563621561 /nfs/dbraw/zinc/62/15/61/563621561.db2.gz WLLIJZZKFQZYSS-XCBNKYQSSA-N 1 0 376.301 3.000 20 0 GFADRO O=C(Nc1cc(Br)ccc1-n1cccn1)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000333171592 563622738 /nfs/dbraw/zinc/62/27/38/563622738.db2.gz NVPLGLSHYLXCHD-CHWSQXEVSA-N 1 0 390.285 2.708 20 0 GFADRO C[NH+](C)Cc1ccc(S(=O)(=O)NCc2nc(C(F)(F)F)cs2)cc1 ZINC000433886766 563622977 /nfs/dbraw/zinc/62/29/77/563622977.db2.gz VQGWSTWRROKAKF-UHFFFAOYSA-N 1 0 379.429 2.702 20 0 GFADRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)Nc3cc(Br)ccc3-n3cccn3)C[C@@H]12 ZINC000333223328 563624984 /nfs/dbraw/zinc/62/49/84/563624984.db2.gz WZEGWXDJFFEJCP-MRVWCRGKSA-N 1 0 390.285 2.836 20 0 GFADRO Cc1ncc(Br)cc1NC(=O)N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC000333243829 563625661 /nfs/dbraw/zinc/62/56/61/563625661.db2.gz AHJJPXTXMZXVRP-GFCCVEGCSA-N 1 0 397.317 2.870 20 0 GFADRO [NH3+][C@@H]1CCO[C@H](C2CCN(C(=O)c3cc(F)cc(Br)c3)CC2)C1 ZINC000333252743 563625681 /nfs/dbraw/zinc/62/56/81/563625681.db2.gz HDZPXZNBNFJGPY-CVEARBPZSA-N 1 0 385.277 2.947 20 0 GFADRO C[N@H+]1CC=C(CNC(=O)C(=O)Nc2cc(Cl)ccc2C(F)(F)F)CC1 ZINC000288006779 563625889 /nfs/dbraw/zinc/62/58/89/563625889.db2.gz KNJLNYAFXQSDRK-UHFFFAOYSA-N 1 0 375.778 2.675 20 0 GFADRO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(C(=O)Nc2ncc(C(F)(F)F)s2)CC1 ZINC000333270149 563626732 /nfs/dbraw/zinc/62/67/32/563626732.db2.gz FYQOHFJIIWNJTP-ZYHUDNBSSA-N 1 0 378.420 2.912 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)NCC[C@@H]2CCC[N@@H+](C)C2)c(Br)c1 ZINC000411673711 563629021 /nfs/dbraw/zinc/62/90/21/563629021.db2.gz OICLZBJOCWUKIG-AWEZNQCLSA-N 1 0 396.329 2.853 20 0 GFADRO CC(=O)NCC[N@H+](CCC1(O)CCC1)Cc1ccc(Br)s1 ZINC000411697687 563630396 /nfs/dbraw/zinc/63/03/96/563630396.db2.gz WJDZBWHCLNDDFI-UHFFFAOYSA-N 1 0 375.332 2.754 20 0 GFADRO Cc1nc(S(=O)(=O)N(C)C(C)(C)C[NH+]2CCCC2)sc1Br ZINC000333409238 563630983 /nfs/dbraw/zinc/63/09/83/563630983.db2.gz QYZUGMZTJDPCSG-UHFFFAOYSA-N 1 0 396.376 2.709 20 0 GFADRO C[C@@H]1C[C@H](N2CCOCC2)CN1C(=O)NCc1sccc1Br ZINC000288152858 563631407 /nfs/dbraw/zinc/63/14/07/563631407.db2.gz NUWSKVLHXGBQJA-NEPJUHHUSA-N 1 0 388.331 2.515 20 0 GFADRO Cc1cc(NC(=O)C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)ccc1Br ZINC000434562459 563632410 /nfs/dbraw/zinc/63/24/10/563632410.db2.gz VUJORWMNOCKYNF-OAHLLOKOSA-N 1 0 394.313 2.829 20 0 GFADRO Cc1c(Br)cccc1NC(=O)C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000434557052 563632521 /nfs/dbraw/zinc/63/25/21/563632521.db2.gz CDEKBMMIDGNNEA-AWEZNQCLSA-N 1 0 394.313 2.829 20 0 GFADRO O=C(NC[C@H]1C[NH2+]CCO1)N1c2ccc(Br)cc2[C@@H]2CCCC[C@@H]21 ZINC000333485637 563633941 /nfs/dbraw/zinc/63/39/41/563633941.db2.gz GBWOJYKFZAZIFF-YCPHGPKFSA-N 1 0 394.313 2.993 20 0 GFADRO O=C(CC[N@H+]1CC[C@@](O)(C(F)F)C1)Nc1ccc(Br)cc1F ZINC000411786100 563634801 /nfs/dbraw/zinc/63/48/01/563634801.db2.gz CWQLPTBEDZRMRI-AWEZNQCLSA-N 1 0 381.192 2.619 20 0 GFADRO O=C(NCc1cc2cc(Br)ccc2[nH]1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000333559066 563635913 /nfs/dbraw/zinc/63/59/13/563635913.db2.gz LCWKLONGELUCRW-QGZVFWFLSA-N 1 0 377.286 2.825 20 0 GFADRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)C1(c2cncc(Br)c2)CC1 ZINC000288280445 563636325 /nfs/dbraw/zinc/63/63/25/563636325.db2.gz HGZVRQBGBMQHAE-CJNGLKHVSA-N 1 0 378.314 2.961 20 0 GFADRO COc1cc(C)cc(C)c1S(=O)(=O)N1C[C@@H](SC)[C@@H]([NH+]2CCCC2)C1 ZINC000434730733 563636416 /nfs/dbraw/zinc/63/64/16/563636416.db2.gz SVIINATXPIZWDZ-DOTOQJQBSA-N 1 0 384.567 2.512 20 0 GFADRO Cc1cc(NC(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)cc(C)c1Br ZINC000333603318 563636611 /nfs/dbraw/zinc/63/66/11/563636611.db2.gz QTOACDSXLIADHW-LSDHHAIUSA-N 1 0 392.301 2.758 20 0 GFADRO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(S(=O)(=O)c2cc(Cl)sc2Cl)CC1 ZINC000333633649 563637178 /nfs/dbraw/zinc/63/71/78/563637178.db2.gz HBHZAFVMCSBUJX-ZWNOBZJWSA-N 1 0 399.365 2.962 20 0 GFADRO CC(C)(C)c1ccc(S(=O)(=O)N2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)s1 ZINC000333716625 563640105 /nfs/dbraw/zinc/64/01/05/563640105.db2.gz TXUMJEVZKHIQJR-GJZGRUSLSA-N 1 0 386.583 2.953 20 0 GFADRO [NH3+][C@@H]1CCCO[C@H]1C1CCN(S(=O)(=O)c2csc3ccccc32)CC1 ZINC000333754113 563641335 /nfs/dbraw/zinc/64/13/35/563641335.db2.gz ZMFNNZUBFZDSTJ-QAPCUYQASA-N 1 0 380.535 2.808 20 0 GFADRO C[C@H](CC[NH+](C)C)NC(=O)c1cc(I)c(F)cc1F ZINC000435009869 563641559 /nfs/dbraw/zinc/64/15/59/563641559.db2.gz WCFBKOOJPDSOQL-MRVPVSSYSA-N 1 0 382.192 2.639 20 0 GFADRO Brc1ccc2c(c1)OCCC[C@@H]2[NH2+][C@@H]1CCc2nnnn2CC1 ZINC000333781652 563641843 /nfs/dbraw/zinc/64/18/43/563641843.db2.gz UPUMGRWLHYCCHB-OCCSQVGLSA-N 1 0 378.274 2.644 20 0 GFADRO O=C(NC[C@@H]1C[NH2+]CCCO1)N1CCC[C@@H]1c1ccc(Br)cc1 ZINC000333776314 563641869 /nfs/dbraw/zinc/64/18/69/563641869.db2.gz CZQPCNJCEZZUCJ-JKSUJKDBSA-N 1 0 382.302 2.674 20 0 GFADRO O=C(N1CCCC1)N1CCC[C@H]([NH2+]Cc2cccc(O)c2Br)C1 ZINC000333840885 563642990 /nfs/dbraw/zinc/64/29/90/563642990.db2.gz NKWIJHKKMGXLLH-AWEZNQCLSA-N 1 0 382.302 2.925 20 0 GFADRO CC(C)(C)c1ccc(S(=O)(=O)NC2CCC(N3CC[NH2+]CC3)CC2)s1 ZINC000333870059 563644005 /nfs/dbraw/zinc/64/40/05/563644005.db2.gz RTPKDFDLAMWQJN-UHFFFAOYSA-N 1 0 385.599 2.540 20 0 GFADRO O=C(C[NH2+][C@@H](CO)[C@@H]1CCCOC1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000411997230 563644155 /nfs/dbraw/zinc/64/41/55/563644155.db2.gz UEDCUKKEHDLLKJ-YGRLFVJLSA-N 1 0 380.794 2.674 20 0 GFADRO CNC(=O)NC1CC[NH+](CCCC(=O)c2ccc(Br)cc2)CC1 ZINC000412057557 563645441 /nfs/dbraw/zinc/64/54/41/563645441.db2.gz YBOQSHSLCKUIEA-UHFFFAOYSA-N 1 0 382.302 2.805 20 0 GFADRO C[C@@H]1CC(C)(C)C[N@@H+]1CC(=O)NCC(=O)Nc1ccccc1Br ZINC000412050597 563645756 /nfs/dbraw/zinc/64/57/56/563645756.db2.gz YYUWGHLSSQGPGS-GFCCVEGCSA-N 1 0 382.302 2.624 20 0 GFADRO O=C(c1ccc(Cl)c(I)c1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000435231781 563645942 /nfs/dbraw/zinc/64/59/42/563645942.db2.gz ZRDBSFRNYUYIAY-LLVKDONJSA-N 1 0 390.652 2.911 20 0 GFADRO O=C(N[C@@H]1CCOc2ccc(Br)cc21)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000333949913 563646724 /nfs/dbraw/zinc/64/67/24/563646724.db2.gz XQZXSBJYTCTYKB-NILFDRSVSA-N 1 0 380.286 2.666 20 0 GFADRO CC(C)[N@H+](CCC(=O)Nc1ccccc1Br)C[C@@H]1CCC(=O)N1 ZINC000412064586 563646725 /nfs/dbraw/zinc/64/67/25/563646725.db2.gz CNXHYLYQZLRJGP-ZDUSSCGKSA-N 1 0 382.302 2.767 20 0 GFADRO COC(=O)[C@@H]1CSCC[N@H+](CC(=O)N(C)[C@@H](C)c2ccc(Cl)cc2)C1 ZINC000412074588 563646818 /nfs/dbraw/zinc/64/68/18/563646818.db2.gz LVGWAAKRHQURSW-ZFWWWQNUSA-N 1 0 384.929 2.697 20 0 GFADRO C[N@H+](C[C@@H](O)COc1c(Cl)cccc1Cl)C(C)(C)CN1CCOCC1 ZINC000412083398 563647317 /nfs/dbraw/zinc/64/73/17/563647317.db2.gz AXQYBJRLXRUXFN-CQSZACIVSA-N 1 0 391.339 2.776 20 0 GFADRO C[C@H](NC(=O)N[C@H]1CCOc2ccc(Br)cc21)[C@H]1CCC[NH2+]C1 ZINC000333952133 563647413 /nfs/dbraw/zinc/64/74/13/563647413.db2.gz ZRRMYOHKHQEFFQ-HUBLWGQQSA-N 1 0 382.302 2.960 20 0 GFADRO C[C@@H]1c2c(Cl)cc(Cl)cc2CCN1C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000435417043 563648678 /nfs/dbraw/zinc/64/86/78/563648678.db2.gz QWEVJIFIVLQHGR-DOMZBBRYSA-N 1 0 385.339 2.868 20 0 GFADRO CC(C)C[C@H](CNC(=O)[C@@H]1CC(=O)Nc2ccc(Br)cc21)[NH+](C)C ZINC000435508456 563652753 /nfs/dbraw/zinc/65/27/53/563652753.db2.gz VKMZGDRBRFZPLT-UKRRQHHQSA-N 1 0 396.329 2.967 20 0 GFADRO C[C@H]1C[C@@H](CO)CC[N@@H+]1C[C@H](O)COc1ccc(Cl)cc1Br ZINC000288754501 563655876 /nfs/dbraw/zinc/65/58/76/563655876.db2.gz GRNKJEIKVOVIEI-OBJOEFQTSA-N 1 0 392.721 2.935 20 0 GFADRO C[C@]1(c2ccc(Br)s2)NC(=O)N(CC[NH+]2CCCCC2)C1=O ZINC000435799139 563658949 /nfs/dbraw/zinc/65/89/49/563658949.db2.gz OTTKYXMOOCIPBN-OAHLLOKOSA-N 1 0 386.315 2.764 20 0 GFADRO C[C@@H]1CN(C(=O)NCCSc2ccc(Cl)cc2)CC[N@@H+]1CC(C)(C)O ZINC000435858772 563659515 /nfs/dbraw/zinc/65/95/15/563659515.db2.gz RWRBSSJKOQMXOL-CQSZACIVSA-N 1 0 385.961 2.919 20 0 GFADRO C[NH+](C)Cc1ccc(NC(=O)CCn2cc(Br)ccc2=O)c(F)c1 ZINC000412561167 563661956 /nfs/dbraw/zinc/66/19/56/563661956.db2.gz SJKNODITLGLOPN-UHFFFAOYSA-N 1 0 396.260 2.840 20 0 GFADRO CC[NH+]1CCN(CC(=O)N[C@H]2C[C@H](c3ccc(F)c(Br)c3)C2)CC1 ZINC000436006907 563662113 /nfs/dbraw/zinc/66/21/13/563662113.db2.gz OKDIACIUSVYWSK-SHTZXODSSA-N 1 0 398.320 2.588 20 0 GFADRO CC(C)[N@@H+]1CCO[C@@H](C(=O)NCc2cc(Cl)cc(Br)c2)C1 ZINC000412626732 563663579 /nfs/dbraw/zinc/66/35/79/563663579.db2.gz UWBQLTPTAHCNKT-CQSZACIVSA-N 1 0 375.694 2.828 20 0 GFADRO CCO[C@H]1C[C@@](CO)([NH2+]Cc2cc(Br)c(O)c(OC)c2)C1(C)C ZINC000436379717 563669706 /nfs/dbraw/zinc/66/97/06/563669706.db2.gz RPQAAFSZBIJWEY-YOEHRIQHSA-N 1 0 388.302 2.819 20 0 GFADRO C[C@H]([NH2+]Cc1cnc(N2CCN(C)CC2)nc1)c1ccc(Br)s1 ZINC000436406248 563670047 /nfs/dbraw/zinc/67/00/47/563670047.db2.gz DJDOPTZIBINAGK-LBPRGKRZSA-N 1 0 396.358 2.903 20 0 GFADRO CCN(CC)S(=O)(=O)c1ccc(C[NH2+]Cc2cnc([C@@H](C)O)s2)cc1 ZINC000289255195 563672826 /nfs/dbraw/zinc/67/28/26/563672826.db2.gz MDYRRJRINZMZNM-CYBMUJFWSA-N 1 0 383.539 2.517 20 0 GFADRO O=C([C@@H]1COc2ccc(Br)cc21)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000289666290 563682953 /nfs/dbraw/zinc/68/29/53/563682953.db2.gz ACCAHAFOPJBDLA-XJKSGUPXSA-N 1 0 379.298 2.773 20 0 GFADRO C[C@H](O)c1ncc(C[NH2+]C[C@H](CO)Cc2cccc(Br)c2)s1 ZINC000289697741 563683756 /nfs/dbraw/zinc/68/37/56/563683756.db2.gz NMDQJSVLVGCQSH-WCQYABFASA-N 1 0 385.327 2.900 20 0 GFADRO C[C@H]([NH2+]CCS(=O)(=O)NCc1ccccc1)c1ccc(Br)nc1 ZINC000289912597 563690890 /nfs/dbraw/zinc/69/08/90/563690890.db2.gz USUQIYDPPNLQJV-ZDUSSCGKSA-N 1 0 398.326 2.614 20 0 GFADRO C[NH+](C)[C@H](CNS(=O)(=O)c1cnc2ccsc2c1)Cc1ccccc1 ZINC000437232259 563691344 /nfs/dbraw/zinc/69/13/44/563691344.db2.gz LIEHDQZYFQDLOA-HNNXBMFYSA-N 1 0 375.519 2.748 20 0 GFADRO O=C(c1ccc(I)cc1Cl)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000289932443 563691685 /nfs/dbraw/zinc/69/16/85/563691685.db2.gz VSTGGRPUESLNPS-NXEZZACHSA-N 1 0 390.652 2.626 20 0 GFADRO Cc1c(Br)cccc1NC(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000360535091 563692848 /nfs/dbraw/zinc/69/28/48/563692848.db2.gz AAYNMVORHJFWHF-HZPDHXFCSA-N 1 0 382.302 2.820 20 0 GFADRO Cc1ccc(Br)cc1-c1nnc(N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)s1 ZINC000413466822 563693289 /nfs/dbraw/zinc/69/32/89/563693289.db2.gz AUYXSJFHSRFGRI-UONOGXRCSA-N 1 0 395.326 2.795 20 0 GFADRO COCC(COC)[NH+]1CCN(c2ccnc3ccc(Br)cc32)CC1 ZINC000413482155 563693960 /nfs/dbraw/zinc/69/39/60/563693960.db2.gz XVJBYKDGVDREJS-UHFFFAOYSA-N 1 0 394.313 2.781 20 0 GFADRO CCS(=O)(=O)c1cc(Cl)cc(CNC(=O)N[C@@H](C)C[N@H+](C)C(C)C)c1 ZINC000413590505 563698769 /nfs/dbraw/zinc/69/87/69/563698769.db2.gz TZKCIOIYEUQWCL-ZDUSSCGKSA-N 1 0 389.949 2.662 20 0 GFADRO CC(C)(C[NH2+]Cc1cc(Br)cc(Br)c1N)OCCO ZINC000290165940 563699896 /nfs/dbraw/zinc/69/98/96/563699896.db2.gz MHBHMDFHFNFFAB-UHFFFAOYSA-N 1 0 396.123 2.671 20 0 GFADRO O=C(Cn1cc(Br)ccc1=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000437861810 563700289 /nfs/dbraw/zinc/70/02/89/563700289.db2.gz CMWMWDRGVZTNKK-INIZCTEOSA-N 1 0 396.329 2.524 20 0 GFADRO c1csc(-c2nc(C[NH2+]C[C@]3(N4CCOCC4)CCCOC3)cs2)c1 ZINC000362221565 563704239 /nfs/dbraw/zinc/70/42/39/563704239.db2.gz OWVUSAPCDVQCDI-GOSISDBHSA-N 1 0 379.551 2.843 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1cn(-c2ccc(Br)cc2)cn1 ZINC000362178200 563704716 /nfs/dbraw/zinc/70/47/16/563704716.db2.gz MSXOZWRWGZJYPQ-ZBFHGGJFSA-N 1 0 389.297 2.991 20 0 GFADRO Cc1cc(Br)c(C(=O)N[C@H](CO)C[NH+]2CCCCC2)cc1Cl ZINC000413804983 563706625 /nfs/dbraw/zinc/70/66/25/563706625.db2.gz ZOMNXXWCBXACOG-LBPRGKRZSA-N 1 0 389.721 2.988 20 0 GFADRO COC(=O)c1cc(NC(=O)N2CCC[N@@H+]3CCC[C@H]3C2)ccc1Br ZINC000362466683 563707165 /nfs/dbraw/zinc/70/71/65/563707165.db2.gz CEDFFZREEJWHMO-ZDUSSCGKSA-N 1 0 396.285 2.938 20 0 GFADRO O=S1(=O)CCCN1CC[NH+]1CCC(c2ccccc2C(F)(F)F)CC1 ZINC000438593832 563707939 /nfs/dbraw/zinc/70/79/39/563707939.db2.gz CQOZCUQFSHNLIZ-UHFFFAOYSA-N 1 0 376.444 2.920 20 0 GFADRO C[C@@H]1C[NH+](C[C@H](O)Cn2ccnc2-c2cccc(Br)c2)C[C@@H](C)O1 ZINC000438829833 563711571 /nfs/dbraw/zinc/71/15/71/563711571.db2.gz RUDOHSZMFXOQAI-CPUCHLNUSA-N 1 0 394.313 2.783 20 0 GFADRO CC(C)S(=O)(=O)CC[NH2+][C@H](C)c1ccc(I)cc1 ZINC000290499497 563712231 /nfs/dbraw/zinc/71/22/31/563712231.db2.gz YDFUBRHVZYMRJE-LLVKDONJSA-N 1 0 381.279 2.765 20 0 GFADRO COc1cc(OCC[NH+](C)C)ccc1NC(=O)c1cc(Br)cn1C ZINC000413966566 563712763 /nfs/dbraw/zinc/71/27/63/563712763.db2.gz ZKVBWMXVNHPLIG-UHFFFAOYSA-N 1 0 396.285 2.989 20 0 GFADRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C1(c2cccc(Br)c2)CC(=O)C1 ZINC000438909276 563713211 /nfs/dbraw/zinc/71/32/11/563713211.db2.gz IMADRBFBNIBMEU-YVEFUNNKSA-N 1 0 391.309 2.649 20 0 GFADRO C[C@H](CN1CCC[C@H](C)C1)[NH2+]C1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000363160204 563715562 /nfs/dbraw/zinc/71/55/62/563715562.db2.gz ALCWZDOOHPSXKZ-JKSUJKDBSA-N 1 0 385.599 2.611 20 0 GFADRO C[N@H+](CCc1ccc(Br)cc1)[C@@H]1CCN(C2CCOCC2)C1=O ZINC000363139566 563715851 /nfs/dbraw/zinc/71/58/51/563715851.db2.gz SNXKQVVCPGNFLZ-QGZVFWFLSA-N 1 0 381.314 2.703 20 0 GFADRO COc1ccc(C[C@H](C)[NH2+]CCNC(=O)c2ccc(Br)cc2)cn1 ZINC000414063965 563717483 /nfs/dbraw/zinc/71/74/83/563717483.db2.gz FDOJIIKCNBDKAC-ZDUSSCGKSA-N 1 0 392.297 2.803 20 0 GFADRO CCS(=O)(=O)N1CC(C[NH2+]C2CC(c3ccc(C(F)(F)F)cc3)C2)C1 ZINC000439131309 563717778 /nfs/dbraw/zinc/71/77/78/563717778.db2.gz HZHQUPSXMAQKMJ-UHFFFAOYSA-N 1 0 376.444 2.823 20 0 GFADRO CCc1nn(C)c(CC)c1C[NH2+][C@@H](C)Cn1cc(Br)ccc1=O ZINC000414088379 563718731 /nfs/dbraw/zinc/71/87/31/563718731.db2.gz BEMJQBQPYWGOOP-LBPRGKRZSA-N 1 0 381.318 2.647 20 0 GFADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]Cc1ccc(C[S@@](C)=O)cc1 ZINC000414122568 563720192 /nfs/dbraw/zinc/72/01/92/563720192.db2.gz BFADXABVVKBQBV-JCQPUDPBSA-N 1 0 397.338 2.668 20 0 GFADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@H]1COc2ccc(F)cc2C1 ZINC000414133843 563720432 /nfs/dbraw/zinc/72/04/32/563720432.db2.gz DCHLHSMYWXZPOP-IAQYHMDHSA-N 1 0 381.245 2.732 20 0 GFADRO C[NH+](C)CC1(NC(=O)Nc2cc(Br)cnc2-n2cccn2)CCC1 ZINC000439371632 563723065 /nfs/dbraw/zinc/72/30/65/563723065.db2.gz AQQCQOZTUVKQTJ-UHFFFAOYSA-N 1 0 393.289 2.636 20 0 GFADRO COC(=O)CN(C)C(=O)CC[NH+]1CCC(c2cccc(Br)c2)CC1 ZINC000439331110 563723217 /nfs/dbraw/zinc/72/32/17/563723217.db2.gz RKHQEDBOZUVPND-UHFFFAOYSA-N 1 0 397.313 2.650 20 0 GFADRO CC[C@H](O)[C@@H]1CCCC[N@@H+]1C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000439437915 563724425 /nfs/dbraw/zinc/72/44/25/563724425.db2.gz LBMVBBRUHBSZAU-XIRDDKMYSA-N 1 0 390.293 2.953 20 0 GFADRO C[C@@](O)(CNC(=O)NC1CC[NH+](Cc2cccs2)CC1)c1ccsc1 ZINC000363555533 563726069 /nfs/dbraw/zinc/72/60/69/563726069.db2.gz RLMBJSJMJCULDR-GOSISDBHSA-N 1 0 379.551 2.981 20 0 GFADRO CN(C(=O)C(=O)Nc1nc(-c2cccs2)cs1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000439594971 563728879 /nfs/dbraw/zinc/72/88/79/563728879.db2.gz JFENKNLDLSVJFW-LBPRGKRZSA-N 1 0 376.507 2.505 20 0 GFADRO C[C@H]1C[C@H](NC(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)c2ccsc2S1(=O)=O ZINC000291000225 563729230 /nfs/dbraw/zinc/72/92/30/563729230.db2.gz LEESNCOOPOTKHH-XPCVCDNBSA-N 1 0 385.555 2.527 20 0 GFADRO CN1CC[C@H]([NH2+]Cc2ccc(S(N)(=O)=O)c(Cl)c2)[C@@H]1c1ccccc1 ZINC000414361846 563729355 /nfs/dbraw/zinc/72/93/55/563729355.db2.gz DBXYXEZFRDUYKM-WMZOPIPTSA-N 1 0 379.913 2.522 20 0 GFADRO CO[C@H]1CCC[N@H+](CC(=O)N(C)Cc2cc(Br)cs2)CC1 ZINC000363675261 563729989 /nfs/dbraw/zinc/72/99/89/563729989.db2.gz OAPHKEXZTPYPIA-ZDUSSCGKSA-N 1 0 375.332 2.970 20 0 GFADRO Cc1nc(NC(=O)C(=O)NC2CC[NH+](Cc3ccsc3)CC2)sc1C ZINC000363663357 563730417 /nfs/dbraw/zinc/73/04/17/563730417.db2.gz DYFCBIDLRIOQFE-UHFFFAOYSA-N 1 0 378.523 2.541 20 0 GFADRO C[C@@H](CC(=O)N1CCN([C@H]2CCOC2)CC1)c1ccc(Br)cc1 ZINC000363711325 563731056 /nfs/dbraw/zinc/73/10/56/563731056.db2.gz PYRKRZJJVBZSGR-YOEHRIQHSA-N 1 0 381.314 2.876 20 0 GFADRO C[C@@H](O)C[C@H](C[NH2+]Cc1ccc(S(N)(=O)=O)c(Cl)c1)c1ccccc1 ZINC000414385004 563731999 /nfs/dbraw/zinc/73/19/99/563731999.db2.gz WDSWBGHQGVBKDP-CZUORRHYSA-N 1 0 382.913 2.632 20 0 GFADRO Cn1cc(C[NH2+]CCNC(=O)c2cccc(Br)c2)c(C(F)F)n1 ZINC000291157980 563732723 /nfs/dbraw/zinc/73/27/23/563732723.db2.gz IBZXQOUMISRLSP-UHFFFAOYSA-N 1 0 387.228 2.640 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CNC(=O)C[C@H]1CCC[NH2+]CC1 ZINC000363771699 563733383 /nfs/dbraw/zinc/73/33/83/563733383.db2.gz HHXKWAMAEZTKGG-ZDUSSCGKSA-N 1 0 382.302 2.592 20 0 GFADRO Cn1cc(C[NH2+]CCNC(=O)c2ccc(Br)cc2)c(C(F)F)n1 ZINC000291170704 563733748 /nfs/dbraw/zinc/73/37/48/563733748.db2.gz JRWKAYOESHSILZ-UHFFFAOYSA-N 1 0 387.228 2.640 20 0 GFADRO COC(=O)c1ccc(S(=O)(=O)N[C@@H](C)[C@H](c2ccccc2)[NH+](C)C)s1 ZINC000440079491 563735217 /nfs/dbraw/zinc/73/52/17/563735217.db2.gz YKCJEDZJRRVEEO-BLLLJJGKSA-N 1 0 382.507 2.504 20 0 GFADRO CCC(CC)[C@H](CNS(=O)(=O)c1cc2c(cc1Cl)OCCO2)[NH+](C)C ZINC000440079294 563735538 /nfs/dbraw/zinc/73/55/38/563735538.db2.gz OPRHRAXEORRUOC-AWEZNQCLSA-N 1 0 390.933 2.756 20 0 GFADRO CCOC(=O)[C@](C)(C[NH2+]Cc1ccc(S(C)(=O)=O)s1)c1ccccc1 ZINC000414437794 563737343 /nfs/dbraw/zinc/73/73/43/563737343.db2.gz QJTBJQZURFAQJB-GOSISDBHSA-N 1 0 381.519 2.762 20 0 GFADRO C[NH+]1CCC2(CCCN2S(=O)(=O)c2ccc(OC(F)F)c(F)c2)CC1 ZINC000363943151 563737757 /nfs/dbraw/zinc/73/77/57/563737757.db2.gz CUBLREQVLLIQQF-UHFFFAOYSA-N 1 0 378.416 2.676 20 0 GFADRO Cc1occc1C[NH2+]CCNS(=O)(=O)c1cc(C)ccc1Br ZINC000414444248 563738137 /nfs/dbraw/zinc/73/81/37/563738137.db2.gz UNEAPZSBFRRTDO-UHFFFAOYSA-N 1 0 387.299 2.727 20 0 GFADRO COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CCC[C@@H]1[NH+](C)C ZINC000414464405 563741950 /nfs/dbraw/zinc/74/19/50/563741950.db2.gz MXIMFWXDNNMAEF-SNPRPXQTSA-N 1 0 390.933 2.515 20 0 GFADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+]C[C@@H](C)CCOC ZINC000414476843 563743664 /nfs/dbraw/zinc/74/36/64/563743664.db2.gz AAEPBKXSKFWQJC-QWHCGFSZSA-N 1 0 387.318 2.725 20 0 GFADRO CS(=O)(=O)Nc1c[nH]nc1[C@H]1CCCN(CCC(Cl)(Cl)Cl)C1 ZINC000364128660 563744055 /nfs/dbraw/zinc/74/40/55/563744055.db2.gz QQNKJTPSXDVHSD-VIFPVBQESA-N 1 0 389.736 2.721 20 0 GFADRO COCCO[C@@H]1CCN(C(=O)C2CC[NH+](Cc3ccc(Cl)s3)CC2)C1 ZINC000364253051 563747428 /nfs/dbraw/zinc/74/74/28/563747428.db2.gz CLDOKCGORUJNCL-OAHLLOKOSA-N 1 0 386.945 2.877 20 0 GFADRO CC[NH+](CC)[C@@H](CNC(=O)N1CCC(F)(F)[C@@H](CO)C1)c1ccsc1 ZINC000291591618 563748727 /nfs/dbraw/zinc/74/87/27/563748727.db2.gz ZOVHOXHTTNWAGH-CABCVRRESA-N 1 0 375.485 2.790 20 0 GFADRO COCCCOc1ccc(Cl)cc1S(=O)(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000440737497 563748909 /nfs/dbraw/zinc/74/89/09/563748909.db2.gz RXWSVNARIZJTBE-DZGCQCFKSA-N 1 0 390.933 2.551 20 0 GFADRO C[NH2+]C[C@@H]1CCCN(S(=O)(=O)c2cc(Cl)ccc2Br)C1 ZINC000440742978 563748952 /nfs/dbraw/zinc/74/89/52/563748952.db2.gz WEXKJZBBDPGRBM-JTQLQIEISA-N 1 0 381.723 2.723 20 0 GFADRO Cc1cc(I)ccc1NC(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000414681038 563750057 /nfs/dbraw/zinc/75/00/57/563750057.db2.gz NZGOCSZVTHPNJS-VXGBXAGGSA-N 1 0 385.249 2.673 20 0 GFADRO C[C@@H]1CCCN(C(=O)Nc2nnc(SCc3ccccc3)s2)[C@@H]1C[NH3+] ZINC000414714883 563750902 /nfs/dbraw/zinc/75/09/02/563750902.db2.gz WBMZNJRZZMZKCR-TZMCWYRMSA-N 1 0 377.539 3.422 20 0 GFADRO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000440812775 563751091 /nfs/dbraw/zinc/75/10/91/563751091.db2.gz WNKPJSSEOWSPNQ-UONOGXRCSA-N 1 0 390.933 2.503 20 0 GFADRO C[C@H](CC[NH3+])NS(=O)(=O)c1cc(Br)c(Cl)cc1Cl ZINC000440825118 563751153 /nfs/dbraw/zinc/75/11/53/563751153.db2.gz ISOHYUFVGSWOGX-ZCFIWIBFSA-N 1 0 376.103 2.772 20 0 GFADRO C[C@@H]1CN(S(=O)(=O)c2cc(Br)c(Cl)cc2Cl)C[C@H]1[NH3+] ZINC000440843317 563751826 /nfs/dbraw/zinc/75/18/26/563751826.db2.gz GHDHPOWEPSDWEW-LHLIQPBNSA-N 1 0 388.114 2.724 20 0 GFADRO CC(C)C[C@H](C[NH3+])NC(=O)Nc1cc(Br)ccc1N1CCOCC1 ZINC000414925975 563754275 /nfs/dbraw/zinc/75/42/75/563754275.db2.gz JLTLDIAITGWHGV-CQSZACIVSA-N 1 0 399.333 2.781 20 0 GFADRO CC(C)(CCC[NH3+])NC(=O)Nc1cc(Br)ccc1N1CCOCC1 ZINC000414938077 563754471 /nfs/dbraw/zinc/75/44/71/563754471.db2.gz YCPOEWORQOLWTG-UHFFFAOYSA-N 1 0 399.333 2.925 20 0 GFADRO COC[C@]1(CNCc2nc(-c3ccc(Br)cc3)c[nH]2)CCC[NH2+]1 ZINC000414940241 563754503 /nfs/dbraw/zinc/75/45/03/563754503.db2.gz HGZHSPGAEWHOQD-QGZVFWFLSA-N 1 0 379.302 2.697 20 0 GFADRO C[C@@]1(CNC(=O)C(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)CCCS1 ZINC000414952462 563755549 /nfs/dbraw/zinc/75/55/49/563755549.db2.gz IHLWXGORKCIZFE-HNNXBMFYSA-N 1 0 375.416 2.505 20 0 GFADRO Brc1cc(CN2CC[C@H](n3cncn3)C2)cc2c1OCCCO2 ZINC000364529247 563756329 /nfs/dbraw/zinc/75/63/29/563756329.db2.gz RDPIJNLDHXCEFH-ZDUSSCGKSA-N 1 0 379.258 2.649 20 0 GFADRO COc1ccc(I)c(NC(=O)NCCC[NH2+]C2CC2)c1 ZINC000415071442 563757620 /nfs/dbraw/zinc/75/76/20/563757620.db2.gz KCHCKIXXORQDIP-UHFFFAOYSA-N 1 0 389.237 2.563 20 0 GFADRO CCCOc1c(Br)cc(CNC[C@@H]2C[NH2+]CCCO2)cc1OC ZINC000415050445 563757626 /nfs/dbraw/zinc/75/76/26/563757626.db2.gz YTQQIGKAYXHSSC-AWEZNQCLSA-N 1 0 387.318 2.715 20 0 GFADRO COc1ccc(I)c(NC(=O)N[C@@](C)(C[NH3+])C2CC2)c1 ZINC000415074015 563757869 /nfs/dbraw/zinc/75/78/69/563757869.db2.gz OFJJRUTZLDWYRX-AWEZNQCLSA-N 1 0 389.237 2.549 20 0 GFADRO CC[C@H]1C[C@H](C[NH2+]CCNS(=O)(=O)c2ccc(Cl)cc2F)CCO1 ZINC000441342164 563758402 /nfs/dbraw/zinc/75/84/02/563758402.db2.gz RFYXBBQUCZENMN-OCCSQVGLSA-N 1 0 378.897 2.552 20 0 GFADRO CC(C)(O)C[N@@H+]1CCCN(C(=O)c2cc3c(cccc3Br)[nH]2)CC1 ZINC000364616746 563759363 /nfs/dbraw/zinc/75/93/63/563759363.db2.gz UCBHYIZGZFMWDR-UHFFFAOYSA-N 1 0 394.313 2.849 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)Nc2cc(F)c(I)c(F)c2)C1 ZINC000415113738 563759564 /nfs/dbraw/zinc/75/95/64/563759564.db2.gz FIRSPQNMMIVJJH-SFYZADRCSA-N 1 0 395.191 2.770 20 0 GFADRO CCOCCOc1ccc(Cl)cc1NC(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000415139180 563760630 /nfs/dbraw/zinc/76/06/30/563760630.db2.gz LCFIKGYQTINLLD-AWEZNQCLSA-N 1 0 377.819 2.874 20 0 GFADRO C[NH2+]C[C@H]1CCN(C(=O)Nc2cc(Br)ccc2-n2cccn2)C1 ZINC000415151716 563761202 /nfs/dbraw/zinc/76/12/02/563761202.db2.gz AXCHEIJJTJPHSX-GFCCVEGCSA-N 1 0 378.274 2.708 20 0 GFADRO CC[N@@H+]1CCC[C@@H](CN(C)C(=O)[C@H]2CSCCS2)[C@@H]1c1cnn(C)c1 ZINC000364656590 563761262 /nfs/dbraw/zinc/76/12/62/563761262.db2.gz AMPZTXBPSVEJBY-USXIJHARSA-N 1 0 382.599 2.500 20 0 GFADRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)Nc1cc(Br)ccc1-n1cccn1 ZINC000415159335 563761293 /nfs/dbraw/zinc/76/12/93/563761293.db2.gz JPVGUVMHEITHKF-AAEUAGOBSA-N 1 0 378.274 2.754 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)Nc2cc(Br)ccc2-n2cccn2)C1 ZINC000415169422 563761841 /nfs/dbraw/zinc/76/18/41/563761841.db2.gz VWBZBFGLNZSGJJ-NWDGAFQWSA-N 1 0 378.274 2.836 20 0 GFADRO C[C@@H](C[NH3+])N(C)C(=O)Nc1ccc(CCn2cc(Br)cn2)cc1 ZINC000415199451 563762219 /nfs/dbraw/zinc/76/22/19/563762219.db2.gz AJFZXJVRPHATPZ-LBPRGKRZSA-N 1 0 380.290 2.699 20 0 GFADRO O=C(NC[C@H]1C[NH2+]CCO1)Nc1cc(Br)cc(C(F)(F)F)c1 ZINC000415214336 563762583 /nfs/dbraw/zinc/76/25/83/563762583.db2.gz PEVRFSBOFJKVTL-LLVKDONJSA-N 1 0 382.180 2.578 20 0 GFADRO C[N@@H+]1CCN(CCNC(=O)Nc2ccc(F)c(Br)c2)CC1(C)C ZINC000441663734 563762797 /nfs/dbraw/zinc/76/27/97/563762797.db2.gz PJOQESNZDHWXLH-UHFFFAOYSA-N 1 0 387.297 2.736 20 0 GFADRO C[C@@H](NC(=O)Nc1ccc(CCn2cc(Br)cn2)cc1)[C@H](C)[NH3+] ZINC000415219611 563763167 /nfs/dbraw/zinc/76/31/67/563763167.db2.gz YFFXGTOWHLDCFF-NWDGAFQWSA-N 1 0 380.290 2.746 20 0 GFADRO Cc1cc(NC(=O)[C@@H](C)N2CCC[C@]3(CNC(=O)O3)C2)ccc1Br ZINC000364797676 563763794 /nfs/dbraw/zinc/76/37/94/563763794.db2.gz XVYDILVNPWZJHJ-PXAZEXFGSA-N 1 0 396.285 2.659 20 0 GFADRO C[NH2+]C[C@H]1CCN(C(=O)Nc2cc(F)c(F)cc2I)C1 ZINC000415240406 563763795 /nfs/dbraw/zinc/76/37/95/563763795.db2.gz QHXDEDCIYYJZDL-MRVPVSSYSA-N 1 0 395.191 2.643 20 0 GFADRO CC(=O)N[C@@H](CC(=O)N(C)[C@H]1CCC[NH2+]CC1)c1ccc(Br)cc1 ZINC000364779356 563763983 /nfs/dbraw/zinc/76/39/83/563763983.db2.gz RIOIHINURDMPNP-IRXDYDNUSA-N 1 0 396.329 2.617 20 0 GFADRO C[C@H]1CN(C(=O)Nc2ccc(F)cc2I)[C@@H](C)C[NH2+]1 ZINC000415252410 563764002 /nfs/dbraw/zinc/76/40/02/563764002.db2.gz OICBBMIVEPJICJ-IUCAKERBSA-N 1 0 377.201 2.644 20 0 GFADRO [NH3+]C[C@H]1CC[C@H](NC(=O)Nc2ccc(F)cc2I)C1 ZINC000415257709 563764017 /nfs/dbraw/zinc/76/40/17/563764017.db2.gz ZVUWZWDLCKNJFN-WPRPVWTQSA-N 1 0 377.201 2.679 20 0 GFADRO C[NH+](C)CC1CCC(NS(=O)(=O)c2ccc(Br)c(F)c2)CC1 ZINC000441875988 563765163 /nfs/dbraw/zinc/76/51/63/563765163.db2.gz VHOYFCVZJFYVPT-UHFFFAOYSA-N 1 0 393.322 2.987 20 0 GFADRO CCOc1cc(Br)ccc1NC(=O)N1CC[C@H](OC)C[C@H]1C[NH3+] ZINC000415295845 563766176 /nfs/dbraw/zinc/76/61/76/563766176.db2.gz IFTOVDDYQMYFTP-STQMWFEESA-N 1 0 386.290 2.818 20 0 GFADRO [NH3+][C@@H]1CCN(C(=O)Nc2cccc(Oc3ncc(Br)cn3)c2)C1 ZINC000415300846 563766226 /nfs/dbraw/zinc/76/62/26/563766226.db2.gz KRGVEKVQOBQYBN-LLVKDONJSA-N 1 0 378.230 2.596 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)C(=O)NCC1([NH3+])CCCCCC1 ZINC000415315723 563766691 /nfs/dbraw/zinc/76/66/91/563766691.db2.gz LUPCSULIJBAXSR-UHFFFAOYSA-N 1 0 382.302 2.864 20 0 GFADRO CCOC(=O)c1c(NC(=O)N2CCC(C[NH3+])CC2)sc2c1CCSC2 ZINC000415340749 563768092 /nfs/dbraw/zinc/76/80/92/563768092.db2.gz NLWZSOBGDOCTGJ-UHFFFAOYSA-N 1 0 383.539 2.917 20 0 GFADRO COC(=O)c1cc(Br)ccc1NC(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000415339015 563768094 /nfs/dbraw/zinc/76/80/94/563768094.db2.gz XOOXAIHOGIWXJA-UHFFFAOYSA-N 1 0 396.285 2.843 20 0 GFADRO CCOC(=O)c1c(NC(=O)N2CCC[C@@H]2C[NH2+]C)sc2c1CCSC2 ZINC000415344279 563768208 /nfs/dbraw/zinc/76/82/08/563768208.db2.gz VZYIFVWNGBXEOH-LLVKDONJSA-N 1 0 383.539 2.930 20 0 GFADRO CCOC(=O)c1c(NC(=O)N(C)[C@@H](C[NH3+])C2CC2)sc2c1CCSC2 ZINC000415340480 563768243 /nfs/dbraw/zinc/76/82/43/563768243.db2.gz MVYWTBHWPUDFLV-LBPRGKRZSA-N 1 0 383.539 2.915 20 0 GFADRO Cc1c(C(=O)N[C@@H](C)CCCC[NH3+])nnn1-c1cccc(Br)c1 ZINC000291994938 563768562 /nfs/dbraw/zinc/76/85/62/563768562.db2.gz BNNHISXMFGYODE-NSHDSACASA-N 1 0 380.290 2.586 20 0 GFADRO CCOc1c(Cl)cc(NC(=O)C(=O)N[C@@H](C)[C@@H]2CCC[NH2+]C2)cc1Cl ZINC000415346232 563768802 /nfs/dbraw/zinc/76/88/02/563768802.db2.gz GVEVPZLKWISPCC-WDEREUQCSA-N 1 0 388.295 2.835 20 0 GFADRO C[C@H](CO)[N@@H+]1CCCN(C(=O)c2cc(Cl)cc(Br)c2)CC1 ZINC000364922261 563768839 /nfs/dbraw/zinc/76/88/39/563768839.db2.gz MORVBXBQPJBTMZ-LLVKDONJSA-N 1 0 375.694 2.631 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N[C@H](C)[C@@H]2CCC[NH2+]C2)cc1Br ZINC000415348480 563768880 /nfs/dbraw/zinc/76/88/80/563768880.db2.gz KUNNJYMQVOUCKR-CHWSQXEVSA-N 1 0 382.302 2.509 20 0 GFADRO C[C@H](NC(=O)C(=O)Nc1cccc(Br)c1Cl)[C@H]1CCC[NH2+]C1 ZINC000415349946 563769382 /nfs/dbraw/zinc/76/93/82/563769382.db2.gz HEOMEVJTIIOUPE-UWVGGRQHSA-N 1 0 388.693 2.545 20 0 GFADRO C[NH2+][C@H]1CCCN(C(=O)C(=O)Nc2ccc(Br)c3ccccc23)C1 ZINC000415369037 563771220 /nfs/dbraw/zinc/77/12/20/563771220.db2.gz BKBJKHNZTCGTBZ-LBPRGKRZSA-N 1 0 390.281 2.751 20 0 GFADRO C[NH2+][C@@H]1CCCN(C(=O)C(=O)Nc2c(C)cc(Br)cc2Cl)C1 ZINC000415373635 563771450 /nfs/dbraw/zinc/77/14/50/563771450.db2.gz JAPGAPPXFHABOW-LLVKDONJSA-N 1 0 388.693 2.560 20 0 GFADRO Cc1cc(F)c(NC(=O)N[C@@H]2CC[NH2+]C[C@H]2C)c(I)c1 ZINC000415391953 563771829 /nfs/dbraw/zinc/77/18/29/563771829.db2.gz MSNFTZVOHPOMOL-BXKDBHETSA-N 1 0 391.228 2.858 20 0 GFADRO C[N@@H+]1CC[C@@]2(CCN(C(=O)c3ccc(I)c(F)c3)C2)C1 ZINC000292052070 563771943 /nfs/dbraw/zinc/77/19/43/563771943.db2.gz ACWQVHJEIAAMBC-OAHLLOKOSA-N 1 0 388.224 2.598 20 0 GFADRO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(Br)c3ccccc23)C1 ZINC000415401685 563772371 /nfs/dbraw/zinc/77/23/71/563772371.db2.gz XQMSISRTUMGRSB-LBPRGKRZSA-N 1 0 390.281 2.609 20 0 GFADRO Cc1cc(S(=O)(=O)N2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)sc1Cl ZINC000365084036 563773120 /nfs/dbraw/zinc/77/31/20/563773120.db2.gz NOYYPGYHIWDHAT-FRRDWIJNSA-N 1 0 378.947 2.582 20 0 GFADRO COC(=O)c1cc(NC(=O)NC[C@@]2(C)CCC[NH2+]C2)ccc1Br ZINC000415410204 563773626 /nfs/dbraw/zinc/77/36/26/563773626.db2.gz URAIYOXDRVJJIL-INIZCTEOSA-N 1 0 384.274 2.747 20 0 GFADRO C[C@@H](C[NH3+])N(C)C(=O)C(=O)Nc1ccc(Br)c(Cl)c1Cl ZINC000415417481 563774401 /nfs/dbraw/zinc/77/44/01/563774401.db2.gz MNMDIVZMIWCHSU-LURJTMIESA-N 1 0 383.073 2.500 20 0 GFADRO O=C(NCC[NH2+]C1CCCCCC1)C(=O)Nc1ccccc1Br ZINC000415441315 563776125 /nfs/dbraw/zinc/77/61/25/563776125.db2.gz AQKKIWBHWOULIB-UHFFFAOYSA-N 1 0 382.302 2.816 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(Br)c(Cl)c2)C1 ZINC000415454148 563776912 /nfs/dbraw/zinc/77/69/12/563776912.db2.gz ZWEPZUZCGPRECZ-VHSXEESVSA-N 1 0 388.693 2.627 20 0 GFADRO [NH3+]C[C@H](NC(=O)C(=O)Nc1ccc(Br)c(Cl)c1Cl)C1CC1 ZINC000415456852 563776927 /nfs/dbraw/zinc/77/69/27/563776927.db2.gz RJIPQRNTWLRIIU-VIFPVBQESA-N 1 0 395.084 2.548 20 0 GFADRO [NH3+]C[C@@H](NC(=O)C(=O)Nc1ccc(Br)c(Cl)c1Cl)C1CC1 ZINC000415456849 563777163 /nfs/dbraw/zinc/77/71/63/563777163.db2.gz RJIPQRNTWLRIIU-SECBINFHSA-N 1 0 395.084 2.548 20 0 GFADRO CCC([NH3+])(CC)CNC(=O)C(=O)Nc1cc(F)ccc1SCC(F)F ZINC000415473233 563777760 /nfs/dbraw/zinc/77/77/60/563777760.db2.gz CQMJNLJBFJWHCG-UHFFFAOYSA-N 1 0 377.432 2.755 20 0 GFADRO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)Nc1ccc(Cl)cc1OC(F)F ZINC000415493440 563778948 /nfs/dbraw/zinc/77/89/48/563778948.db2.gz VAEWNDPGDWPFLA-LLVKDONJSA-N 1 0 377.819 2.712 20 0 GFADRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)Nc1nnc(-c2cccc(Br)c2)s1 ZINC000415501322 563779534 /nfs/dbraw/zinc/77/95/34/563779534.db2.gz OEQDVKLNZPTANJ-CABZTGNLSA-N 1 0 396.314 3.087 20 0 GFADRO CCCN(C(=O)C(=O)Nc1cc(C)ccc1Br)C1CC[NH2+]CC1 ZINC000415499114 563779827 /nfs/dbraw/zinc/77/98/27/563779827.db2.gz KRJGRPDYDBHHJQ-UHFFFAOYSA-N 1 0 382.302 2.687 20 0 GFADRO CC1(C)C[NH2+]CC[C@@H]1NC(=O)Nc1nnc(-c2c(F)cccc2Cl)s1 ZINC000415508088 563780096 /nfs/dbraw/zinc/78/00/96/563780096.db2.gz FKNLVKHQQLZKLT-NSHDSACASA-N 1 0 383.880 3.507 20 0 GFADRO C[C@@]1(C[NH3+])CCN(C(=O)Nc2ccnn2Cc2ccc(Br)cc2)C1 ZINC000415521342 563781251 /nfs/dbraw/zinc/78/12/51/563781251.db2.gz CBMAKEJNYDCDGH-KRWDZBQOSA-N 1 0 392.301 2.897 20 0 GFADRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)Nc1ccnn1Cc1ccccc1Br ZINC000415520552 563781401 /nfs/dbraw/zinc/78/14/01/563781401.db2.gz IHHVKFYOUGXIGT-FZMZJTMJSA-N 1 0 378.274 2.647 20 0 GFADRO CC1(C)[NH2+]CC[C@H]1NC(=O)Nc1ccnn1Cc1cccc(Br)c1 ZINC000415526455 563782574 /nfs/dbraw/zinc/78/25/74/563782574.db2.gz ZRZRFKWJUJTBSI-CQSZACIVSA-N 1 0 392.301 2.956 20 0 GFADRO CNC(=O)CC[N@H+](C)Cc1cccc(Br)c1OC[C@@H]1CCCO1 ZINC000442886881 563783027 /nfs/dbraw/zinc/78/30/27/563783027.db2.gz VEUMAFASPVZOEY-AWEZNQCLSA-N 1 0 385.302 2.575 20 0 GFADRO [NH3+][C@H](CNC(=O)Nc1ccnn1Cc1cccc(Br)c1)C1CC1 ZINC000415531106 563783151 /nfs/dbraw/zinc/78/31/51/563783151.db2.gz XZYNKPKBFACHSK-CQSZACIVSA-N 1 0 378.274 2.553 20 0 GFADRO C[C@H](CC1CCOCC1)[NH2+]CCNS(=O)(=O)c1ccc(Cl)cc1F ZINC000442877448 563783248 /nfs/dbraw/zinc/78/32/48/563783248.db2.gz ZJXZRVZMOANPDL-GFCCVEGCSA-N 1 0 378.897 2.552 20 0 GFADRO COc1ccsc1[C@H](C)[NH2+]CCNS(=O)(=O)c1ccc(F)cc1F ZINC000442891006 563783323 /nfs/dbraw/zinc/78/33/23/563783323.db2.gz QQYJVCVBKQLMEV-JTQLQIEISA-N 1 0 376.450 2.664 20 0 GFADRO [NH3+]CC[C@H](NC(=O)Nc1cc(Cl)ccc1OC[C@@H]1CCOC1)C(F)F ZINC000415538243 563783758 /nfs/dbraw/zinc/78/37/58/563783758.db2.gz IWDOBKAXUOYEBF-PWSUYJOCSA-N 1 0 377.819 2.859 20 0 GFADRO C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)Nc1cc(Br)c(F)cc1F ZINC000415548386 563783896 /nfs/dbraw/zinc/78/38/96/563783896.db2.gz ACWVSNOPHLCDDK-MADCSZMMSA-N 1 0 378.217 2.962 20 0 GFADRO Cc1cc(Cl)cc(NC(=O)C(=O)N2C[C@H](C[NH3+])C[C@H]2C)c1Br ZINC000415538711 563784039 /nfs/dbraw/zinc/78/40/39/563784039.db2.gz ISVHLXKJRBGFED-ZJUUUORDSA-N 1 0 388.693 2.545 20 0 GFADRO Cc1c(Br)cc(C(=O)N2CCC([N@H+]3CCC[C@@H]3C)CC2)c(=O)n1C ZINC000365448795 563784072 /nfs/dbraw/zinc/78/40/72/563784072.db2.gz ARBJVDJCQNHEHJ-LBPRGKRZSA-N 1 0 396.329 2.545 20 0 GFADRO CC(C)c1cc(Br)ccc1NC(=O)C(=O)N1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000415575054 563785096 /nfs/dbraw/zinc/78/50/96/563785096.db2.gz PBPKYMKIQNHGLG-NEPJUHHUSA-N 1 0 382.302 2.707 20 0 GFADRO C[NH2+]C[C@@H]1CCCN1C(=O)Nc1ccc(OC)cc1I ZINC000415591014 563785597 /nfs/dbraw/zinc/78/55/97/563785597.db2.gz CAOOWAALHOGHPD-JTQLQIEISA-N 1 0 389.237 2.516 20 0 GFADRO COC(=O)c1c(Br)ccc(NC(=O)NC2(C)CC[NH2+]CC2)c1C ZINC000415591171 563785751 /nfs/dbraw/zinc/78/57/51/563785751.db2.gz ADDSHBLZGYGCRR-UHFFFAOYSA-N 1 0 384.274 2.808 20 0 GFADRO Cc1cc(NC(=O)C(=O)NC[C@]2(C)CCC[NH2+]C2)cc(C)c1Br ZINC000415585059 563785804 /nfs/dbraw/zinc/78/58/04/563785804.db2.gz UHZCMABHURUYCE-QGZVFWFLSA-N 1 0 382.302 2.510 20 0 GFADRO COC(=O)c1cccc(NC(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1Br ZINC000415595183 563786481 /nfs/dbraw/zinc/78/64/81/563786481.db2.gz ANNNMDMDLRLVLH-IJLUTSLNSA-N 1 0 396.285 2.745 20 0 GFADRO COC(=O)c1c(C)c(NC(=O)N2C[C@H](C[NH3+])C[C@@H]2C)ccc1Br ZINC000415599432 563786850 /nfs/dbraw/zinc/78/68/50/563786850.db2.gz MHTNJOPWJSGZTC-ONGXEEELSA-N 1 0 384.274 2.745 20 0 GFADRO COc1ccc(NC(=O)N2C[C@H](C[NH3+])C[C@@H]2C)c(I)c1 ZINC000415602550 563787026 /nfs/dbraw/zinc/78/70/26/563787026.db2.gz YDVOTEVQXITCFT-UWVGGRQHSA-N 1 0 389.237 2.501 20 0 GFADRO COc1ccc(NC(=O)N[C@@](C)(C[NH3+])C2CC2)c(I)c1 ZINC000415601132 563787059 /nfs/dbraw/zinc/78/70/59/563787059.db2.gz VGKWYVQXVQHSMS-AWEZNQCLSA-N 1 0 389.237 2.549 20 0 GFADRO COC(=O)c1c(Br)ccc(NC(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)c1C ZINC000415604228 563787645 /nfs/dbraw/zinc/78/76/45/563787645.db2.gz VHCFDBPZSRTRAH-FZMZJTMJSA-N 1 0 396.285 2.760 20 0 GFADRO CCOc1c(Cl)cc(NC(=O)C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)cc1Cl ZINC000415627769 563788845 /nfs/dbraw/zinc/78/88/45/563788845.db2.gz CNSWAXSJTYFNHN-PHIMTYICSA-N 1 0 386.279 2.684 20 0 GFADRO CC(C)Oc1ccc(Br)cc1NC(=O)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000415637880 563789258 /nfs/dbraw/zinc/78/92/58/563789258.db2.gz AUXXUZSPPAQTGZ-OLZOCXBDSA-N 1 0 398.301 2.561 20 0 GFADRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)Nc1ccc(-c2ccc(Cl)s2)nc1 ZINC000415632485 563789348 /nfs/dbraw/zinc/78/93/48/563789348.db2.gz XYFQWYKCJBCZBN-ZWNOBZJWSA-N 1 0 378.885 2.516 20 0 GFADRO COC(=O)c1cc(F)c(Br)cc1NC(=O)N1CC[C@H]([C@H](C)[NH3+])C1 ZINC000415632772 563789411 /nfs/dbraw/zinc/78/94/11/563789411.db2.gz WZPJLOOIBVQDJX-IUCAKERBSA-N 1 0 388.237 2.576 20 0 GFADRO COC(=O)c1cc(F)c(Br)cc1NC(=O)N1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000415632768 563789417 /nfs/dbraw/zinc/78/94/17/563789417.db2.gz WZPJLOOIBVQDJX-BDAKNGLRSA-N 1 0 388.237 2.576 20 0 GFADRO C[C@H]1C[C@@H](C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)CC[N@@H+]1C ZINC000365644401 563790024 /nfs/dbraw/zinc/79/00/24/563790024.db2.gz RQCHUOZYLIXRAP-SLEUVZQESA-N 1 0 384.307 2.945 20 0 GFADRO CC(C)Oc1cc(Br)cc(NC(=O)C(=O)N[C@H]2CCC[C@H]([NH3+])C2)c1 ZINC000415665078 563790581 /nfs/dbraw/zinc/79/05/81/563790581.db2.gz ZTAFCAVZHGLSQS-STQMWFEESA-N 1 0 398.301 2.561 20 0 GFADRO COC(=O)c1cc(NC(=O)N(C)[C@H](C[NH3+])C2CC2)c(C)cc1Br ZINC000415706107 563792167 /nfs/dbraw/zinc/79/21/67/563792167.db2.gz KMTGTZWXITWXLU-CQSZACIVSA-N 1 0 384.274 2.745 20 0 GFADRO C[N@@H+]1CC[C@@]2(CCN(C(=O)c3cnnn3-c3c(Cl)cccc3Cl)C2)C1 ZINC000292634657 563792366 /nfs/dbraw/zinc/79/23/66/563792366.db2.gz WCAGHMKOVTUKCL-QGZVFWFLSA-N 1 0 380.279 2.742 20 0 GFADRO [NH3+]CCCN(CC1CCCC1)C(=O)C(=O)Nc1ccccc1Br ZINC000415713474 563792612 /nfs/dbraw/zinc/79/26/12/563792612.db2.gz TWFCCQJDCYHAFV-UHFFFAOYSA-N 1 0 382.302 2.755 20 0 GFADRO C[C@H]1CCN(C(=O)Nc2ccn(-c3ccc(Br)cc3)n2)C[C@@H]1C[NH3+] ZINC000415751987 563794214 /nfs/dbraw/zinc/79/42/14/563794214.db2.gz CLEWHZKPDVRWGH-STQMWFEESA-N 1 0 392.301 3.083 20 0 GFADRO O[C@@H](COCC(F)(F)F)CN1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000292738464 563794580 /nfs/dbraw/zinc/79/45/80/563794580.db2.gz VVRRHJGWYXOHMZ-KGLIPLIRSA-N 1 0 398.219 2.762 20 0 GFADRO C[C@@H](CCC[NH3+])NC(=O)C(=O)Nc1ncc(Cc2ccccc2Cl)s1 ZINC000415758277 563794991 /nfs/dbraw/zinc/79/49/91/563794991.db2.gz HTSFTYZKJNFYRW-NSHDSACASA-N 1 0 380.901 2.569 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)Nc1ccn(-c2ccc(Br)cc2)n1 ZINC000415758890 563795013 /nfs/dbraw/zinc/79/50/13/563795013.db2.gz PLCKWGOUNPATDS-WFASDCNBSA-N 1 0 392.301 3.368 20 0 GFADRO COc1cc(I)ccc1NC(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000415767659 563795824 /nfs/dbraw/zinc/79/58/24/563795824.db2.gz AXYNKZWYANEFSQ-GXSJLCMTSA-N 1 0 389.237 2.549 20 0 GFADRO COc1cc(I)ccc1NC(=O)N(C)CC(C)(C)C[NH3+] ZINC000415774373 563796289 /nfs/dbraw/zinc/79/62/89/563796289.db2.gz POGRTJIDERRORQ-UHFFFAOYSA-N 1 0 391.253 2.748 20 0 GFADRO Cc1cc(Cl)cc(NC(=O)C(=O)N[C@@H](C)CCC[NH3+])c1Br ZINC000415778749 563796325 /nfs/dbraw/zinc/79/63/25/563796325.db2.gz HZZLGDMOACYUPA-VIFPVBQESA-N 1 0 376.682 2.593 20 0 GFADRO CO[C@H]1CCN(C(=O)Nc2cccc3c(Br)ccnc23)[C@H](C[NH3+])C1 ZINC000415794299 563796787 /nfs/dbraw/zinc/79/67/87/563796787.db2.gz VRGXFFOXIVMEMP-RYUDHWBXSA-N 1 0 393.285 2.967 20 0 GFADRO [NH3+]CC[C@@H](NC(=O)C(=O)Nc1ccc(-c2ccc(Cl)s2)nc1)C(F)F ZINC000415790160 563796981 /nfs/dbraw/zinc/79/69/81/563796981.db2.gz QJXSCJFVMNLQBD-SNVBAGLBSA-N 1 0 388.827 2.501 20 0 GFADRO [NH3+][C@H]1CCC[C@@H](CNC(=O)C(=O)Nc2ccc(Cl)c(OC(F)F)c2)C1 ZINC000415809748 563797635 /nfs/dbraw/zinc/79/76/35/563797635.db2.gz NGSVQSWXZVZDBK-ZJUUUORDSA-N 1 0 375.803 2.514 20 0 GFADRO CCOc1c(Cl)cc(NC(=O)C(=O)N[C@H](C[NH3+])C2CCCC2)cc1Cl ZINC000415825268 563798130 /nfs/dbraw/zinc/79/81/30/563798130.db2.gz YXLNTVNGYDJYQL-CQSZACIVSA-N 1 0 388.295 2.964 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)C(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000415825886 563798490 /nfs/dbraw/zinc/79/84/90/563798490.db2.gz ZFMGPYLVPOVCHR-KGLIPLIRSA-N 1 0 394.313 2.544 20 0 GFADRO CC(C)c1cc(Br)ccc1NC(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000415827236 563798749 /nfs/dbraw/zinc/79/87/49/563798749.db2.gz CQBKKUIIPSDFFR-AAEUAGOBSA-N 1 0 382.302 2.755 20 0 GFADRO [NH3+]CC[C@@H](NC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1Cl)C(F)(F)F ZINC000415842518 563798797 /nfs/dbraw/zinc/79/87/97/563798797.db2.gz RSBUJOXARBXQNQ-SECBINFHSA-N 1 0 391.699 2.693 20 0 GFADRO Cc1nc2cc(Cl)c(NC(=O)C(=O)N[C@H](CC[NH3+])C(F)(F)F)cc2s1 ZINC000415849799 563799448 /nfs/dbraw/zinc/79/94/48/563799448.db2.gz ZKMVVSDSELUIDN-LLVKDONJSA-N 1 0 394.806 2.593 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c(Br)c1 ZINC000415869983 563799505 /nfs/dbraw/zinc/79/95/05/563799505.db2.gz LISVTCIHWCLLLE-MGPQQGTHSA-N 1 0 394.313 2.509 20 0 GFADRO CS(=O)(=O)C1(C[NH2+]Cc2c(Cl)cccc2N2CCOCC2)CCCC1 ZINC000293067300 563799626 /nfs/dbraw/zinc/79/96/26/563799626.db2.gz VEBDPSYZEOMPKH-UHFFFAOYSA-N 1 0 386.945 2.624 20 0 GFADRO O=C(NCCCn1cc(Br)cn1)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000415895204 563800431 /nfs/dbraw/zinc/80/04/31/563800431.db2.gz MWIGYDJKRSUYNZ-UHFFFAOYSA-N 1 0 378.274 2.503 20 0 GFADRO O=C(NCc1cc(Br)ccn1)Nc1ccc2c(c1)C[NH2+]CCO2 ZINC000415969765 563800813 /nfs/dbraw/zinc/80/08/13/563800813.db2.gz HAJDIEXJDXXCPK-UHFFFAOYSA-N 1 0 377.242 2.648 20 0 GFADRO Cc1cc2c(o1)c(C(=O)NCC1(O)CC[NH+](C)CC1)ccc2Br ZINC000443323090 563801455 /nfs/dbraw/zinc/80/14/55/563801455.db2.gz QUDAWKXSEDNCBU-UHFFFAOYSA-N 1 0 381.270 2.690 20 0 GFADRO [NH3+]CC[C@@H](NC(=O)N1CCN(Cc2ccc(Cl)s2)CC1)C(F)(F)F ZINC000416000036 563801516 /nfs/dbraw/zinc/80/15/16/563801516.db2.gz XKJGRJPNQGMWFS-LLVKDONJSA-N 1 0 384.855 2.508 20 0 GFADRO Cc1c(Cl)cccc1NC(=O)CCNC(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000416017601 563802311 /nfs/dbraw/zinc/80/23/11/563802311.db2.gz YCAWEFGUFGBRKY-GFCCVEGCSA-N 1 0 380.798 2.556 20 0 GFADRO CC[N@@H+]1CC[C@H]2OCCN(Cc3nc4ccc(Br)cc4n3C)[C@H]2C1 ZINC000293205417 563804140 /nfs/dbraw/zinc/80/41/40/563804140.db2.gz IWVZYEXLJFUCEM-DLBZAZTESA-N 1 0 393.329 2.631 20 0 GFADRO C[C@@H]([NH2+][C@H]1CCc2c[nH]nc2C1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000366444994 563808149 /nfs/dbraw/zinc/80/81/49/563808149.db2.gz HKVJENDVJBZICS-SCZZXKLOSA-N 1 0 389.308 2.572 20 0 GFADRO Cn1cc(Br)cc(NC(=O)CC[N@@H+]2CCc3ccccc3C2)c1=O ZINC000416196400 563809085 /nfs/dbraw/zinc/80/90/85/563809085.db2.gz VCNOMSIJNNDASE-UHFFFAOYSA-N 1 0 390.281 2.535 20 0 GFADRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1nn(C)cc1Br ZINC000293386905 563810803 /nfs/dbraw/zinc/81/08/03/563810803.db2.gz IWAROGCJCHGRON-HNNXBMFYSA-N 1 0 391.313 2.777 20 0 GFADRO O=C(Cc1cccc(Br)c1)N1CC[C@H](OCC[NH+]2CCCC2)C1 ZINC000443867008 563812885 /nfs/dbraw/zinc/81/28/85/563812885.db2.gz HRACVDMHZMNTDJ-KRWDZBQOSA-N 1 0 381.314 2.705 20 0 GFADRO O=C(c1ccc(F)c(Br)c1)N1CC[C@@H](OCC[NH+]2CCCC2)C1 ZINC000443871257 563813060 /nfs/dbraw/zinc/81/30/60/563813060.db2.gz XBPHHSDYGNFSRQ-CQSZACIVSA-N 1 0 385.277 2.915 20 0 GFADRO O=C(CCC[S@](=O)c1ccc(Br)cc1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000293462470 563813393 /nfs/dbraw/zinc/81/33/93/563813393.db2.gz QCYAPYBYDZPTCL-LZDDTZTRSA-N 1 0 399.354 2.547 20 0 GFADRO Cc1c(C(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)cnn1-c1ccc(Br)cc1 ZINC000293464815 563813562 /nfs/dbraw/zinc/81/35/62/563813562.db2.gz QHRXYAJUPOOOPS-SUMWQHHRSA-N 1 0 389.297 2.767 20 0 GFADRO O=C(N[C@@H]1CC12CC[NH2+]CC2)c1cnn(-c2ccc(Br)cc2)c1 ZINC000366552419 563813752 /nfs/dbraw/zinc/81/37/52/563813752.db2.gz CYMAKRJFQXNNTK-OAHLLOKOSA-N 1 0 375.270 2.507 20 0 GFADRO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)CCCOc1ccccc1Br ZINC000416299559 563814242 /nfs/dbraw/zinc/81/42/42/563814242.db2.gz SEZKAQWUQGOWFH-LSDHHAIUSA-N 1 0 399.329 2.522 20 0 GFADRO C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000293490249 563815089 /nfs/dbraw/zinc/81/50/89/563815089.db2.gz STMQCARIWVGMCI-ZNMIVQPWSA-N 1 0 382.346 2.820 20 0 GFADRO Cc1cc(Br)cc(NC(=O)C(=O)NC2CC([NH+]3CCCCC3)C2)c1 ZINC000366644082 563816754 /nfs/dbraw/zinc/81/67/54/563816754.db2.gz WFPSGNFJFBDGJW-UHFFFAOYSA-N 1 0 394.313 2.829 20 0 GFADRO CCOC(=O)c1cc(Cl)cc(S(=O)(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000293602699 563820200 /nfs/dbraw/zinc/82/02/00/563820200.db2.gz XYCIQTPSDWMFBY-DOMZBBRYSA-N 1 0 388.917 2.620 20 0 GFADRO C[N@@H+]1CCC[C@H]2CN(S(=O)(=O)c3ccc(C(F)(F)F)cc3F)CC[C@@H]21 ZINC000444089838 563821323 /nfs/dbraw/zinc/82/13/23/563821323.db2.gz LSFWQMHTMOCJET-FZMZJTMJSA-N 1 0 380.407 2.949 20 0 GFADRO CCOC(=O)C[C@H](NC(=O)[C@@H]1C[C@]12CC[NH2+]C2)c1ccc(Br)cc1 ZINC000444134196 563822674 /nfs/dbraw/zinc/82/26/74/563822674.db2.gz XQAYYEUXCPDIBD-MPGHIAIKSA-N 1 0 395.297 2.559 20 0 GFADRO CSCC[C@@H]1NC(=S)N(C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)C1=O ZINC000366883400 563823776 /nfs/dbraw/zinc/82/37/76/563823776.db2.gz UNGPZUGPYXPHCN-BPCQOVAHSA-N 1 0 395.516 2.630 20 0 GFADRO CCOC(=O)[C@H](Cc1cc(Cl)cc(Cl)c1)NC(=O)[C@H]1C[C@]12CC[NH2+]C2 ZINC000444215831 563824784 /nfs/dbraw/zinc/82/47/84/563824784.db2.gz UEOBIUWYWUFFQY-VKJFTORMSA-N 1 0 385.291 2.583 20 0 GFADRO Cc1cc(S(=O)(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c(F)cc1Br ZINC000416411134 563825230 /nfs/dbraw/zinc/82/52/30/563825230.db2.gz YXRJDRLRJLHJGR-RYUDHWBXSA-N 1 0 393.322 3.000 20 0 GFADRO O=S(=O)(c1ccc(CC(F)(F)F)cc1)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000366940364 563825377 /nfs/dbraw/zinc/82/53/77/563825377.db2.gz HDSFLZGPQCLTCX-MRXNPFEDSA-N 1 0 376.444 2.944 20 0 GFADRO OC[C@H]1CCC[N@H+](Cc2ccc(Br)cc2N2CCOCC2)CC1 ZINC000293851128 563826034 /nfs/dbraw/zinc/82/60/34/563826034.db2.gz BMZHJSKZFVVWKC-HNNXBMFYSA-N 1 0 383.330 2.880 20 0 GFADRO COCC[C@@H](Cc1cccc(Br)c1)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000444261467 563826500 /nfs/dbraw/zinc/82/65/00/563826500.db2.gz YCFMMEYRQXRIHM-DOTOQJQBSA-N 1 0 383.330 2.903 20 0 GFADRO CC[NH+](CC)[C@H](CNS(=O)(=O)c1c(C(F)F)c(C)nn1C)CC(C)C ZINC000416428308 563827962 /nfs/dbraw/zinc/82/79/62/563827962.db2.gz TZFIYDHJFKPVCJ-ZDUSSCGKSA-N 1 0 380.505 2.701 20 0 GFADRO C[C@H]1[C@H](NC(=O)c2nn(C)cc2Br)CC[N@@H+]1Cc1ccccc1 ZINC000293993867 563828976 /nfs/dbraw/zinc/82/89/76/563828976.db2.gz LWLRUZRLWQALSC-SWLSCSKDSA-N 1 0 377.286 2.575 20 0 GFADRO Cn1cc([C@H]([NH2+]C[C@@H]2CCCS(=O)(=O)C2)c2ccc(F)c(Cl)c2)cn1 ZINC000367055976 563829558 /nfs/dbraw/zinc/82/95/58/563829558.db2.gz UVRNXLOBVPFTSS-YVEFUNNKSA-N 1 0 385.892 2.716 20 0 GFADRO C[C@@H](CNC(=O)c1nn(-c2ccc(F)cc2)cc1Br)C[NH+](C)C ZINC000294015936 563830174 /nfs/dbraw/zinc/83/01/74/563830174.db2.gz ZWNNHBBCACWBKO-NSHDSACASA-N 1 0 383.265 2.701 20 0 GFADRO COC(=O)c1c(Cl)cccc1S(=O)(=O)NCC[C@@H](C)[NH+]1CCCCC1 ZINC000416451469 563830197 /nfs/dbraw/zinc/83/01/97/563830197.db2.gz BFNGKWIXVLMJTD-CYBMUJFWSA-N 1 0 388.917 2.669 20 0 GFADRO COc1cc(S(=O)(=O)N2C[C@@H](SC)[C@H]([NH+]3CCCC3)C2)ccc1Cl ZINC000416465864 563833024 /nfs/dbraw/zinc/83/30/24/563833024.db2.gz NICHEMAXCLYRQO-GDBMZVCRSA-N 1 0 390.958 2.549 20 0 GFADRO C[C@@H]1CN(C(=O)c2c[nH]c3ccc(Br)cc32)CC[N@@H+]1CC(C)(C)O ZINC000444548370 563833239 /nfs/dbraw/zinc/83/32/39/563833239.db2.gz JHODMMHQYYXKCT-GFCCVEGCSA-N 1 0 394.313 2.848 20 0 GFADRO COc1ccc(Cl)cc1N1CC[C@H]([NH2+][C@@H]2CCC[C@H](S(C)(=O)=O)C2)C1 ZINC000294223290 563834526 /nfs/dbraw/zinc/83/45/26/563834526.db2.gz LZGGJNCYROJZSA-PMPSAXMXSA-N 1 0 386.945 2.873 20 0 GFADRO CS(=O)(=O)N1CC[C@@H](C[N@@H+]2CC[C@@H](c3cccc(C(F)(F)F)c3)C2)C1 ZINC000367273502 563839297 /nfs/dbraw/zinc/83/92/97/563839297.db2.gz DKFMEFWUYFQDJP-DZGCQCFKSA-N 1 0 376.444 2.776 20 0 GFADRO O=C([C@@H]1CC[N@@H+](C2CCCCC2)C1)N1CCn2c(Br)cnc2C1 ZINC000367301299 563840211 /nfs/dbraw/zinc/84/02/11/563840211.db2.gz YWESPNAPBSEOSQ-CYBMUJFWSA-N 1 0 381.318 2.642 20 0 GFADRO Cc1nn(-c2ccccn2)c(Cl)c1CN1CC[NH+]([C@H]2CCSC2)CC1 ZINC000367317370 563840584 /nfs/dbraw/zinc/84/05/84/563840584.db2.gz KIVKOTBVMICUQB-HNNXBMFYSA-N 1 0 377.945 2.852 20 0 GFADRO COc1cc(S(=O)(=O)NCCCC[N@H+](C)C2CC2)ccc1Br ZINC000416507707 563840934 /nfs/dbraw/zinc/84/09/34/563840934.db2.gz OPMDWHBRIOHJJH-UHFFFAOYSA-N 1 0 391.331 2.610 20 0 GFADRO C[C@H](CC[NH+](C)C)NC(=O)NCc1cnn(-c2ccc(Br)cc2)c1 ZINC000444985211 563841188 /nfs/dbraw/zinc/84/11/88/563841188.db2.gz GAOXPMUXZMEJGO-CYBMUJFWSA-N 1 0 394.317 2.774 20 0 GFADRO C[C@@H](Oc1ccccc1Br)C(=O)Nc1cnc2c(c1)C[NH2+]CC2 ZINC000367366404 563842079 /nfs/dbraw/zinc/84/20/79/563842079.db2.gz ZIKQLBYBXHTWNX-LLVKDONJSA-N 1 0 376.254 2.896 20 0 GFADRO Cn1cc(Br)c(C(=O)NC[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)n1 ZINC000294458502 563843085 /nfs/dbraw/zinc/84/30/85/563843085.db2.gz ICEYUBFQONPFJC-INIZCTEOSA-N 1 0 391.313 2.823 20 0 GFADRO COc1cc(Br)c(C(=O)NCC[N@@H+]2CCC[C@@H](C)C2)cc1OC ZINC000294474677 563843933 /nfs/dbraw/zinc/84/39/33/563843933.db2.gz MKMBMIJNVDCZJA-GFCCVEGCSA-N 1 0 385.302 2.928 20 0 GFADRO O=C1CC[C@H]([NH2+]Cc2nc(-c3ccc(Br)cc3)c[nH]2)[C@H](C2CC2)N1 ZINC000367423777 563844443 /nfs/dbraw/zinc/84/44/43/563844443.db2.gz NFPUYPIYYFNYJY-KSSFIOAISA-N 1 0 389.297 2.986 20 0 GFADRO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[NH2+][C@H]1CCC(=O)N[C@H]1C1CC1 ZINC000367446712 563844773 /nfs/dbraw/zinc/84/47/73/563844773.db2.gz GPCOSFQHBMQDKO-YJBOKZPZSA-N 1 0 384.307 2.599 20 0 GFADRO C[C@@H]1CN(C(=O)c2ccc(Br)c(F)c2)CCN1C1CC[NH+](C)CC1 ZINC000367445259 563845064 /nfs/dbraw/zinc/84/50/64/563845064.db2.gz QSAINHZUZNHMRP-CYBMUJFWSA-N 1 0 398.320 2.829 20 0 GFADRO O=C(c1ccco1)N1CCC([NH2+]CCCn2cc(Br)cn2)CC1 ZINC000367473924 563845546 /nfs/dbraw/zinc/84/55/46/563845546.db2.gz KAMQKIAUXVNGBB-UHFFFAOYSA-N 1 0 381.274 2.523 20 0 GFADRO CCC[NH+]1CCC(NC(=O)[C@@H]2CC(=O)Nc3ccc(Br)cc32)CC1 ZINC000445248366 563846503 /nfs/dbraw/zinc/84/65/03/563846503.db2.gz KCWGUWKYQCUCEY-OAHLLOKOSA-N 1 0 394.313 2.866 20 0 GFADRO COc1ccc(S(=O)(=O)N(CC[NH+](C)C)Cc2ccsc2)c(C)c1F ZINC000416551979 563846822 /nfs/dbraw/zinc/84/68/22/563846822.db2.gz HDLKFTBDTBHKLQ-UHFFFAOYSA-N 1 0 386.514 2.957 20 0 GFADRO CC[C@H]([NH2+]C1CCC(CS(C)(=O)=O)CC1)[C@@H](O)c1c(F)cccc1F ZINC000294638077 563849184 /nfs/dbraw/zinc/84/91/84/563849184.db2.gz GCMZCJZNJWPDDY-SARJAZCCSA-N 1 0 375.481 2.970 20 0 GFADRO C[N@@H+]1CCC[C@H](CCNS(=O)(=O)c2cc(Br)ccc2F)C1 ZINC000416564915 563849205 /nfs/dbraw/zinc/84/92/05/563849205.db2.gz SHTGJOUMMNLIGB-LLVKDONJSA-N 1 0 379.295 2.598 20 0 GFADRO CN(CC1CC[NH+](C)CC1)C(=O)c1ccc(I)cc1F ZINC000294660960 563850099 /nfs/dbraw/zinc/85/00/99/563850099.db2.gz RYTASTDBPGIVGU-UHFFFAOYSA-N 1 0 390.240 2.844 20 0 GFADRO COc1c(C)cc(S(=O)(=O)N2C[C@@H](SC)[C@@H]([NH+]3CCCC3)C2)cc1C ZINC000445711539 563852701 /nfs/dbraw/zinc/85/27/01/563852701.db2.gz IPGRCBFYGXGSQM-DLBZAZTESA-N 1 0 384.567 2.512 20 0 GFADRO CN(CCOc1ccc(Br)cc1)C(=O)NCC1([NH+](C)C)CCC1 ZINC000445846269 563855021 /nfs/dbraw/zinc/85/50/21/563855021.db2.gz GIYDOJXMUNOWLM-UHFFFAOYSA-N 1 0 384.318 2.954 20 0 GFADRO Cc1cc(Br)cn2cc(CNC(=O)NCC3([NH+](C)C)CCC3)nc12 ZINC000445857404 563855103 /nfs/dbraw/zinc/85/51/03/563855103.db2.gz MQIQXPVPJWRVLG-UHFFFAOYSA-N 1 0 394.317 2.689 20 0 GFADRO CSc1nnc(CNC(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)s1 ZINC000446096744 563858609 /nfs/dbraw/zinc/85/86/09/563858609.db2.gz UMVBIRAMMBHVGG-CQSZACIVSA-N 1 0 377.539 2.896 20 0 GFADRO O=C(c1csc(I)c1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000367986424 563861488 /nfs/dbraw/zinc/86/14/88/563861488.db2.gz JMZGVTMJPHQPHP-LLVKDONJSA-N 1 0 390.290 2.814 20 0 GFADRO CN(C)S(=O)(=O)N1CCCN(Cc2nc(C3CCCCC3)cs2)CC1 ZINC000368013914 563861580 /nfs/dbraw/zinc/86/15/80/563861580.db2.gz DUPXEMBJYNXELJ-UHFFFAOYSA-N 1 0 386.587 2.505 20 0 GFADRO Cc1sc(Br)cc1S(=O)(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000368027056 563861948 /nfs/dbraw/zinc/86/19/48/563861948.db2.gz KIJJMROVVZSKPU-CYBMUJFWSA-N 1 0 379.345 2.535 20 0 GFADRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)c1cc[nH]c(=O)c1Br ZINC000446395612 563863405 /nfs/dbraw/zinc/86/34/05/563863405.db2.gz FMAKCJNMFLTTPP-SWLSCSKDSA-N 1 0 390.281 2.800 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H](NC(=O)[C@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)C1 ZINC000446406119 563863999 /nfs/dbraw/zinc/86/39/99/563863999.db2.gz OMZYXJVGURDZRO-XJKCOSOUSA-N 1 0 384.307 2.984 20 0 GFADRO CC[C@@H](C(=O)NCc1ccc(Cl)cc1I)[NH+](C)C ZINC000446499386 563865023 /nfs/dbraw/zinc/86/50/23/563865023.db2.gz PYLBVESJHCEJQK-LBPRGKRZSA-N 1 0 380.657 2.901 20 0 GFADRO CN(C)S(=O)(=O)n1ccnc1C[NH2+][C@H]1CCC[C@H]1c1ccc(Cl)cc1 ZINC000368226051 563866698 /nfs/dbraw/zinc/86/66/98/563866698.db2.gz JRXWIOXKRSXHKR-HOTGVXAUSA-N 1 0 382.917 2.617 20 0 GFADRO Cc1cc(C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)nn1-c1ccc(Br)cc1 ZINC000368310744 563868397 /nfs/dbraw/zinc/86/83/97/563868397.db2.gz RTHNVSDIBQFUAA-MAZHCROVSA-N 1 0 389.297 2.753 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2S(=O)(=O)c1c(Cl)cccc1Cl ZINC000446928559 563870613 /nfs/dbraw/zinc/87/06/13/563870613.db2.gz GTCUVCAMVIAWCO-DFBGVHRSSA-N 1 0 393.336 2.866 20 0 GFADRO COc1ccc(CN2CCN([C@H]3CCC[N@H+](C)C3)CC2)cc1Br ZINC000368443729 563871210 /nfs/dbraw/zinc/87/12/10/563871210.db2.gz ZSXQHEIQHFCOGM-INIZCTEOSA-N 1 0 382.346 2.670 20 0 GFADRO CN(C)c1ncc(C[NH2+][C@@H]2CCN(c3cccc(Br)c3)C2=O)s1 ZINC000447066224 563873760 /nfs/dbraw/zinc/87/37/60/563873760.db2.gz DBJGDUMFCPMGRQ-CQSZACIVSA-N 1 0 395.326 2.867 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H](CNC(=O)NCCC(=O)Nc2ccc(Br)cc2)C1 ZINC000417224043 563873994 /nfs/dbraw/zinc/87/39/94/563873994.db2.gz LXWMFOVLHUJJGP-TZMCWYRMSA-N 1 0 397.317 2.594 20 0 GFADRO COc1c(Br)cccc1C[NH2+][C@H]1CCCN(c2ccnn2C)C1 ZINC000447076433 563874015 /nfs/dbraw/zinc/87/40/15/563874015.db2.gz NGAGFQYVFPETFE-AWEZNQCLSA-N 1 0 379.302 2.950 20 0 GFADRO [NH3+]C[C@@H]1CC[C@H](NC(=O)NC[C@H]2CCN(c3cccc(Br)c3)C2)C1 ZINC000417257805 563875213 /nfs/dbraw/zinc/87/52/13/563875213.db2.gz DFPYFONNFZEOLO-FMKPAKJESA-N 1 0 395.345 2.702 20 0 GFADRO COc1ccc(CNC(=O)N2CC[C@@H]3CC[N@H+](C)C[C@H]32)cc1Br ZINC000368603306 563875330 /nfs/dbraw/zinc/87/53/30/563875330.db2.gz QHJOJGMEGCMAQD-DZGCQCFKSA-N 1 0 382.302 2.693 20 0 GFADRO COc1cc(Br)ccc1C[NH2+][C@H]1CCCc2c1cnn2CCO ZINC000368624571 563875804 /nfs/dbraw/zinc/87/58/04/563875804.db2.gz WAUHFTAAGQCNLF-HNNXBMFYSA-N 1 0 380.286 2.814 20 0 GFADRO CC[N@@H+]1CCCC[C@H]1CNS(=O)(=O)c1cc(Br)sc1C ZINC000447198312 563876806 /nfs/dbraw/zinc/87/68/06/563876806.db2.gz FDCGZMWKBQRBOX-NSHDSACASA-N 1 0 381.361 2.972 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)NCc1cc(Br)c2c(c1)OCCO2 ZINC000417295533 563877710 /nfs/dbraw/zinc/87/77/10/563877710.db2.gz FACCMLPWSHKDKX-SMDDNHRTSA-N 1 0 398.301 2.632 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)NCCc2cc(Cl)cc(Cl)c2)CC12CCOCC2 ZINC000417323847 563878148 /nfs/dbraw/zinc/87/81/48/563878148.db2.gz PHFALCGOMIRNJQ-CQSZACIVSA-N 1 0 386.323 2.933 20 0 GFADRO [NH3+]C[C@@H](NC(=O)NCc1cc(Br)c2c(c1)OCCO2)C1CCCC1 ZINC000417305254 563878354 /nfs/dbraw/zinc/87/83/54/563878354.db2.gz VYINJVZIKFDIHD-CQSZACIVSA-N 1 0 398.301 2.537 20 0 GFADRO COc1cc(CNC(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)cc(Br)c1OC ZINC000417361751 563878823 /nfs/dbraw/zinc/87/88/23/563878823.db2.gz AJVATCDSWGEOHX-VXGBXAGGSA-N 1 0 386.290 2.535 20 0 GFADRO [NH3+][C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnn(-c2ccc(Br)cc2)c1 ZINC000368818219 563879242 /nfs/dbraw/zinc/87/92/42/563879242.db2.gz PHSOBRPQJQOJGT-RBVVOMGSSA-N 1 0 375.270 2.729 20 0 GFADRO Cc1cc(Br)oc1C(=O)N1CCC(CC[NH+]2CCN(C)CC2)CC1 ZINC000368846351 563879850 /nfs/dbraw/zinc/87/98/50/563879850.db2.gz UDWZDIDXDZZIEG-UHFFFAOYSA-N 1 0 398.345 2.840 20 0 GFADRO COc1ccc(CNC(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc1Br ZINC000417425942 563880035 /nfs/dbraw/zinc/88/00/35/563880035.db2.gz FMCATMMVLJDPIS-KCQAQPDRSA-N 1 0 382.302 2.727 20 0 GFADRO C[C@@H]1CN(C(=O)NCC2(c3ccc(Br)cc3)CCOCC2)CC[NH2+]1 ZINC000417433325 563880055 /nfs/dbraw/zinc/88/00/55/563880055.db2.gz VCCZHIOALQGERM-CQSZACIVSA-N 1 0 396.329 2.501 20 0 GFADRO COc1nc(C)c(Br)cc1C(=O)N1CCC2(CCC[N@@H+]2C)CC1 ZINC000368881523 563880462 /nfs/dbraw/zinc/88/04/62/563880462.db2.gz GDJQIJJTAQPKGH-UHFFFAOYSA-N 1 0 382.302 2.862 20 0 GFADRO CCCC[C@@H](C[NH3+])NC(=O)NCCC(=O)Nc1ccc(Br)cc1C ZINC000417491502 563881172 /nfs/dbraw/zinc/88/11/72/563881172.db2.gz SYMFVNWBEUONPR-AWEZNQCLSA-N 1 0 399.333 2.903 20 0 GFADRO Cc1cc(C(=O)N[C@@H]2CC[NH2+][C@H](C)C2)nn1-c1ccc(Br)cc1 ZINC000447512311 563882489 /nfs/dbraw/zinc/88/24/89/563882489.db2.gz PDIOSEWPDCPMPW-BXUZGUMPSA-N 1 0 377.286 2.814 20 0 GFADRO O=C(NCCC[C@H]1CCC[NH2+]1)N[C@@H]1CCN(c2ccccc2Br)C1 ZINC000417599072 563885593 /nfs/dbraw/zinc/88/55/93/563885593.db2.gz HEGVZHSDGUKBEK-HUUCEWRRSA-N 1 0 395.345 2.859 20 0 GFADRO C[C@H](NC(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1)c1cccc(Cl)c1Cl ZINC000417736374 563887873 /nfs/dbraw/zinc/88/78/73/563887873.db2.gz BCHMNDXOMWRMQL-NWDGAFQWSA-N 1 0 387.311 2.551 20 0 GFADRO C[C@H](CCCC[NH3+])NC(=O)NCCOc1ncc(C(F)(F)F)cc1Cl ZINC000417739640 563888077 /nfs/dbraw/zinc/88/80/77/563888077.db2.gz QMMBRMSOGNBEQQ-SNVBAGLBSA-N 1 0 382.814 2.949 20 0 GFADRO CC1CC[NH+](CCNC(=O)N2CCC(n3cc(Br)cn3)CC2)CC1 ZINC000369159209 563888159 /nfs/dbraw/zinc/88/81/59/563888159.db2.gz YKZKBHYYVPUVSO-UHFFFAOYSA-N 1 0 398.349 2.724 20 0 GFADRO CCC[NH+]1CCN(C2CCN(c3nc(Cl)c(C(=O)OC)s3)CC2)CC1 ZINC000369157295 563888206 /nfs/dbraw/zinc/88/82/06/563888206.db2.gz RYKRBHZHMFVYTD-UHFFFAOYSA-N 1 0 386.949 2.580 20 0 GFADRO C[C@@H](CCNS(=O)(=O)c1ccc(OC(F)F)c(F)c1)[NH+]1CCCCC1 ZINC000447868434 563889123 /nfs/dbraw/zinc/88/91/23/563889123.db2.gz JYQDEQNKNRRDKN-LBPRGKRZSA-N 1 0 380.432 2.970 20 0 GFADRO C[NH2+]C[C@H]1CCCN(C(=O)NC[C@H](C)Oc2ccccc2Br)C1 ZINC000417823964 563889874 /nfs/dbraw/zinc/88/98/74/563889874.db2.gz LHHXAAWIZRSURH-UONOGXRCSA-N 1 0 384.318 2.857 20 0 GFADRO C[C@H](CNC(=O)N1CCC([C@H](C)[NH3+])CC1)Oc1ccccc1Br ZINC000417823479 563889976 /nfs/dbraw/zinc/88/99/76/563889976.db2.gz KYGSLYVDPCNQGB-OLZOCXBDSA-N 1 0 384.318 2.985 20 0 GFADRO C[C@@H](CNC(=O)NC[C@]1(C)CCC[NH2+]C1)Oc1ccccc1Br ZINC000417826047 563890279 /nfs/dbraw/zinc/89/02/79/563890279.db2.gz NTXMGZFUTCOKBG-SUMWQHHRSA-N 1 0 384.318 2.905 20 0 GFADRO C[C@@H](CNC(=O)NCC[C@@H]1CCC[NH2+]C1)Oc1ccccc1Br ZINC000417826066 563890315 /nfs/dbraw/zinc/89/03/15/563890315.db2.gz NWOPCILFZUBYQT-KBPBESRZSA-N 1 0 384.318 2.905 20 0 GFADRO C[C@H]([NH2+][C@H](CO)[C@@H]1CCCO1)C(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000447923641 563890365 /nfs/dbraw/zinc/89/03/65/563890365.db2.gz SXKWUULYAVJYDS-FZZIBODNSA-N 1 0 380.794 2.815 20 0 GFADRO C[C@@H](NC(=O)NCC1([NH3+])CCC1)c1nc(-c2ccc(Br)cc2)no1 ZINC000417881551 563890499 /nfs/dbraw/zinc/89/04/99/563890499.db2.gz DBBQYFXZACWTJI-SNVBAGLBSA-N 1 0 394.273 2.741 20 0 GFADRO CCC[NH2+]CCNC(=O)N[C@@H](C)c1nc(-c2ccc(Br)cc2)no1 ZINC000417896142 563890763 /nfs/dbraw/zinc/89/07/63/563890763.db2.gz PJSVQFWVSWBTPH-NSHDSACASA-N 1 0 396.289 2.859 20 0 GFADRO C[C@H](NC(=O)NC[C@@H]([NH3+])C1CC1)c1nc(-c2ccc(Br)cc2)no1 ZINC000417895556 563891018 /nfs/dbraw/zinc/89/10/18/563891018.db2.gz ORFMGQDKXPKVNG-TVQRCGJNSA-N 1 0 394.273 2.597 20 0 GFADRO C[C@H](Cc1ccccc1Br)NC(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000417902985 563891458 /nfs/dbraw/zinc/89/14/58/563891458.db2.gz YDXQPGJECFFHNT-MFKMUULPSA-N 1 0 376.245 2.677 20 0 GFADRO C[C@H](Cc1ccccc1Br)NC(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000417902986 563891578 /nfs/dbraw/zinc/89/15/78/563891578.db2.gz YDXQPGJECFFHNT-ZWNOBZJWSA-N 1 0 376.245 2.677 20 0 GFADRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNS(=O)(=O)c1ccc(OC(F)F)c(F)c1 ZINC000447944738 563891965 /nfs/dbraw/zinc/89/19/65/563891965.db2.gz SPLGVAXCGZPZTL-AWEZNQCLSA-N 1 0 380.432 2.826 20 0 GFADRO C[C@@H](Cc1c(Cl)cccc1Cl)NC(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000417949042 563892099 /nfs/dbraw/zinc/89/20/99/563892099.db2.gz UNTZHSKUOXXKQE-UONOGXRCSA-N 1 0 385.339 2.614 20 0 GFADRO C[C@H](Cc1c(Cl)cccc1Cl)NC(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000417949043 563892442 /nfs/dbraw/zinc/89/24/42/563892442.db2.gz UNTZHSKUOXXKQE-ZIAGYGMSSA-N 1 0 385.339 2.614 20 0 GFADRO C[C@@H]1CN(C(=O)NCc2ccc(Br)cc2C(F)(F)F)CC[NH2+]1 ZINC000417956920 563893117 /nfs/dbraw/zinc/89/31/17/563893117.db2.gz TWQZAQNHCUELDT-SECBINFHSA-N 1 0 380.208 2.971 20 0 GFADRO CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000417985496 563893348 /nfs/dbraw/zinc/89/33/48/563893348.db2.gz NGEFLCGXIRRGSM-KOZAUXTDSA-N 1 0 384.318 2.904 20 0 GFADRO CO[C@@H]1CCN(C(=O)NCCOCc2ccc(Cl)cc2Cl)[C@@H](C[NH3+])C1 ZINC000417975722 563893714 /nfs/dbraw/zinc/89/37/14/563893714.db2.gz ANKBYMWKGINMKQ-HUUCEWRRSA-N 1 0 390.311 2.658 20 0 GFADRO O=C(N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000418000937 563894605 /nfs/dbraw/zinc/89/46/05/563894605.db2.gz KNTBGLXXZOVCQQ-BFHYXJOUSA-N 1 0 383.323 2.823 20 0 GFADRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NCCc1c[nH]c2ccc(Br)cc12 ZINC000418004216 563894749 /nfs/dbraw/zinc/89/47/49/563894749.db2.gz NVRISTNEFGSFHF-BZNIZROVSA-N 1 0 379.302 2.770 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)NCCc2c[nH]c3ccc(Br)cc23)C1 ZINC000418009300 563895005 /nfs/dbraw/zinc/89/50/05/563895005.db2.gz UKHGLJNJVOVKDM-YPMHNXCESA-N 1 0 379.302 2.852 20 0 GFADRO Cc1cc(Br)cn2cc(CNC(=O)NCCC[C@H]3CCC[NH2+]3)nc12 ZINC000418017644 563895717 /nfs/dbraw/zinc/89/57/17/563895717.db2.gz HQDCSFIVLYYRLJ-CQSZACIVSA-N 1 0 394.317 2.737 20 0 GFADRO OC[C@@H]([NH2+]C1CCN(Cc2ccccc2Br)CC1)[C@H]1CCCO1 ZINC000448278844 563895681 /nfs/dbraw/zinc/89/56/81/563895681.db2.gz PMJPRLFPUQRDJZ-QZTJIDSGSA-N 1 0 383.330 2.543 20 0 GFADRO CCCOC[C@H](Cc1cccc(Br)c1)NC(=O)N1CCC[NH2+]CC1 ZINC000418025440 563896026 /nfs/dbraw/zinc/89/60/26/563896026.db2.gz FSNKDNUQIAODHK-KRWDZBQOSA-N 1 0 398.345 2.792 20 0 GFADRO CCCOC[C@H](Cc1cccc(Br)c1)NC(=O)N[C@@H](C)[C@@H](C)[NH3+] ZINC000418024170 563896094 /nfs/dbraw/zinc/89/60/94/563896094.db2.gz DBCFHBOATZBGDH-WWGRRREGSA-N 1 0 386.334 2.822 20 0 GFADRO Cc1nn(C)c(CN2CCC(OCC[NH+]3CCCC3)CC2)c1Br ZINC000448336026 563896621 /nfs/dbraw/zinc/89/66/21/563896621.db2.gz YSLXYFLTYXQIND-UHFFFAOYSA-N 1 0 385.350 2.568 20 0 GFADRO O=C1CC[C@H]([NH2+]Cc2ccc(F)cc2I)[C@@H](C2CC2)N1 ZINC000418049475 563896863 /nfs/dbraw/zinc/89/68/63/563896863.db2.gz XTCGFPFFJWJWJO-DZGCQCFKSA-N 1 0 388.224 2.577 20 0 GFADRO O=C1CC[C@H]([NH2+]Cc2ccc(F)cc2I)[C@H](C2CC2)N1 ZINC000418049478 563896908 /nfs/dbraw/zinc/89/69/08/563896908.db2.gz XTCGFPFFJWJWJO-ZFWWWQNUSA-N 1 0 388.224 2.577 20 0 GFADRO C[C@@H](C[NH3+])NC(=O)N[C@@H](Cc1ccccn1)c1ccc(Br)cc1 ZINC000418066492 563897242 /nfs/dbraw/zinc/89/72/42/563897242.db2.gz NPTNEZSYPMXROP-LRDDRELGSA-N 1 0 377.286 2.774 20 0 GFADRO CCn1c(CNC(=O)NC2CCC([NH3+])CC2)nc2cc(Br)ccc21 ZINC000418065085 563897476 /nfs/dbraw/zinc/89/74/76/563897476.db2.gz KSFFAMQLPSEOKP-UHFFFAOYSA-N 1 0 394.317 2.888 20 0 GFADRO C[C@H](CCC[NH3+])NC(=O)N[C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O ZINC000418078034 563897664 /nfs/dbraw/zinc/89/76/64/563897664.db2.gz JDKFIBCVYNUGJH-BXUZGUMPSA-N 1 0 387.311 2.915 20 0 GFADRO CC(C)(CN1CCOCC1)[NH2+]Cc1ccc(F)cc1I ZINC000418095476 563898470 /nfs/dbraw/zinc/89/84/70/563898470.db2.gz JFEHWVNIGQGIJW-UHFFFAOYSA-N 1 0 392.256 2.631 20 0 GFADRO CC1(CNC(=O)N[C@H]2CCN(c3cccc(Br)c3)C2)CC[NH2+]CC1 ZINC000418096099 563898553 /nfs/dbraw/zinc/89/85/53/563898553.db2.gz JVTWHEHPPONRST-HNNXBMFYSA-N 1 0 395.345 2.717 20 0 GFADRO [NH3+]C[C@H](NC(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1)C1CCCC1 ZINC000418090035 563898620 /nfs/dbraw/zinc/89/86/20/563898620.db2.gz CDRVNJDVLVPNCY-WBVHZDCISA-N 1 0 395.345 2.845 20 0 GFADRO O=C(N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000418106291 563898932 /nfs/dbraw/zinc/89/89/32/563898932.db2.gz CASLDONDQVVLON-GUYJKWIASA-N 1 0 382.277 2.838 20 0 GFADRO C[C@H](CCCC[NH3+])NC(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000418106816 563898933 /nfs/dbraw/zinc/89/89/33/563898933.db2.gz YBWKJWOJWWTRBP-UKRRQHHQSA-N 1 0 383.334 2.845 20 0 GFADRO O=C(N[C@@H]1CCN(c2cccc(Br)c2)C1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000418106091 563898949 /nfs/dbraw/zinc/89/89/49/563898949.db2.gz WVJIYSXXBCUILM-OWCLPIDISA-N 1 0 393.329 2.564 20 0 GFADRO C[C@@H](CCc1ccc(I)cc1)NC(=O)N(C)[C@@H](C)C[NH3+] ZINC000418117316 563899380 /nfs/dbraw/zinc/89/93/80/563899380.db2.gz SJJOHEYWUAMGOL-RYUDHWBXSA-N 1 0 389.281 2.601 20 0 GFADRO COC(=O)c1ccc(C[NH2+][C@H]2CCN(CC(F)F)C2)c(Br)c1 ZINC000418141535 563899906 /nfs/dbraw/zinc/89/99/06/563899906.db2.gz WUNJHNCOMPPFSH-LBPRGKRZSA-N 1 0 377.229 2.665 20 0 GFADRO O=C(NCC[NH+]1CCCCC1)c1ccccc1-n1cc(Br)cn1 ZINC000448704464 563900198 /nfs/dbraw/zinc/90/01/98/563900198.db2.gz LTDHCLZVJRJCNB-UHFFFAOYSA-N 1 0 377.286 2.851 20 0 GFADRO CC(C)c1ccc([C@@H]([NH3+])CNC(=O)NCCn2cc(Br)cn2)cc1 ZINC000418174607 563900784 /nfs/dbraw/zinc/90/07/84/563900784.db2.gz DSONBMYRCRILRU-INIZCTEOSA-N 1 0 394.317 2.768 20 0 GFADRO C[NH2+]CCNC(=O)NC[C@H](c1ccc(Cl)cc1)N(C)CCC(F)(F)F ZINC000418177536 563900787 /nfs/dbraw/zinc/90/07/87/563900787.db2.gz XWJJUZSCFSCSHR-CQSZACIVSA-N 1 0 380.842 2.784 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)c1ccc(I)cc1F)C1CC1 ZINC000448753240 563901083 /nfs/dbraw/zinc/90/10/83/563901083.db2.gz WSSUNOGFINGVHZ-CYBMUJFWSA-N 1 0 376.213 2.500 20 0 GFADRO CC[N@@H+]1CCC[C@H](CNC(=O)c2ccc(I)cc2F)C1 ZINC000448821717 563901504 /nfs/dbraw/zinc/90/15/04/563901504.db2.gz HMBNNXIAHJZJRH-LLVKDONJSA-N 1 0 390.240 2.892 20 0 GFADRO Cc1ccc(Br)cc1CC(=O)N(CC[NH+](C)C)C[C@H]1CCCO1 ZINC000448908579 563903196 /nfs/dbraw/zinc/90/31/96/563903196.db2.gz GQYUJUGSOKRJBP-QGZVFWFLSA-N 1 0 383.330 2.869 20 0 GFADRO COC(=O)[C@@H](O)C1CC[NH+](Cc2ccnc3c(Br)cccc23)CC1 ZINC000449045223 563906162 /nfs/dbraw/zinc/90/61/62/563906162.db2.gz HJVUERBVZFUWBY-KRWDZBQOSA-N 1 0 393.281 2.743 20 0 GFADRO Cc1cc(Br)c(C[NH2+]CCC(=O)N2CCOCC2)cc1Cl ZINC000449094263 563906501 /nfs/dbraw/zinc/90/65/01/563906501.db2.gz YOPXDOBUQQSSCK-UHFFFAOYSA-N 1 0 375.694 2.749 20 0 GFADRO COC(=O)COC[C@@H](C)[NH2+]Cc1cc(Br)ccc1OC(F)F ZINC000449133905 563907090 /nfs/dbraw/zinc/90/70/90/563907090.db2.gz FVBGWWVAGQMILI-SECBINFHSA-N 1 0 382.201 2.718 20 0 GFADRO COC(=O)COC[C@@H](C)[NH2+]Cc1cc(Br)ccc1Br ZINC000449257274 564178035 /nfs/dbraw/zinc/17/80/35/564178035.db2.gz LKSHJINZWCVASG-SECBINFHSA-N 1 0 395.091 2.879 20 0 GFADRO CC[NH+](CC)CC(=O)N[C@@H](CO)c1ccc(Br)cc1C(F)(F)F ZINC000505139282 564178093 /nfs/dbraw/zinc/17/80/93/564178093.db2.gz MHLVSYNKEOAQAG-ZDUSSCGKSA-N 1 0 397.235 2.959 20 0 GFADRO CC[C@@H](Cc1ccccc1Br)[N@H+](C)Cc1cn(CC(=O)OC)nn1 ZINC000449255687 564178116 /nfs/dbraw/zinc/17/81/16/564178116.db2.gz GCJYBOZNTJSWRD-HNNXBMFYSA-N 1 0 395.301 2.667 20 0 GFADRO CCOCCOC[C@@H](O)C[NH2+]C1CC(c2ccc(Br)cc2F)C1 ZINC000449283714 564179044 /nfs/dbraw/zinc/17/90/44/564179044.db2.gz MDZKCLHGFLEFDO-ZALBZXLWSA-N 1 0 390.293 2.838 20 0 GFADRO C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]C1CCC(C(N)=O)CC1 ZINC000537985451 564179429 /nfs/dbraw/zinc/17/94/29/564179429.db2.gz BGSTUIYGWHBCOT-DCBWTQNWSA-N 1 0 382.302 2.800 20 0 GFADRO CC[C@H](O)C[N@H+](Cc1ccccc1)Cc1cc(Cl)cc(S(N)(=O)=O)c1 ZINC000563211932 564179994 /nfs/dbraw/zinc/17/99/94/564179994.db2.gz RGZKQFUIKOSBHW-KRWDZBQOSA-N 1 0 382.913 2.761 20 0 GFADRO CC(C)[NH+](CCN(C)C(=O)C(=O)Nc1ccc(Br)cc1)C(C)C ZINC000505304586 564180075 /nfs/dbraw/zinc/18/00/75/564180075.db2.gz ICSMCNZYJBMDIG-UHFFFAOYSA-N 1 0 384.318 2.965 20 0 GFADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+][C@H]1C[C@@H]1C(F)F ZINC000449319305 564180500 /nfs/dbraw/zinc/18/05/00/564180500.db2.gz JLRJWSUYKCFDFK-ZHAHWJHGSA-N 1 0 377.229 2.706 20 0 GFADRO O=C(C1CC[NH+]([C@@H]2CCSC2)CC1)N1CCC[C@H](OCC(F)(F)F)C1 ZINC000563225161 564180535 /nfs/dbraw/zinc/18/05/35/564180535.db2.gz ZNDFKFNOURBJKS-CABCVRRESA-N 1 0 380.476 2.774 20 0 GFADRO CS(=O)(=O)N[C@@H]1CCCC[C@@H]1C[NH2+][C@@H]1CCc2cc(F)c(F)c(F)c21 ZINC000449322254 564180654 /nfs/dbraw/zinc/18/06/54/564180654.db2.gz OPWZFLBCMQXKBL-MRVWCRGKSA-N 1 0 376.444 2.789 20 0 GFADRO CC(C)c1[nH+]c(CNCCNS(=O)(=O)c2cccs2)c2ccccn21 ZINC000563251915 564182638 /nfs/dbraw/zinc/18/26/38/564182638.db2.gz IHDJIKROLMAFQL-UHFFFAOYSA-N 1 0 378.523 2.587 20 0 GFADRO C[C@H](CC(=O)Nc1cccc(F)c1)[NH2+]CCn1cc(Br)ccc1=O ZINC000449381896 564183033 /nfs/dbraw/zinc/18/30/33/564183033.db2.gz ZQHKPWJXRYYMSZ-GFCCVEGCSA-N 1 0 396.260 2.757 20 0 GFADRO CC(C)OCC[NH+]1CCN(Cc2ccc(I)cc2)CC1 ZINC000538149292 564183324 /nfs/dbraw/zinc/18/33/24/564183324.db2.gz SDIJRXNBGKATDG-UHFFFAOYSA-N 1 0 388.293 2.834 20 0 GFADRO [NH3+]CCC1CCN(S(=O)(=O)c2ccc(Br)c(Cl)c2)CC1 ZINC000563275522 564183525 /nfs/dbraw/zinc/18/35/25/564183525.db2.gz MNDPUASSNGFWDJ-UHFFFAOYSA-N 1 0 381.723 2.852 20 0 GFADRO OCCCN1CCC[C@H]([NH2+]Cc2nc(-c3ccc(Br)cc3)c[nH]2)C1 ZINC000449396763 564184474 /nfs/dbraw/zinc/18/44/74/564184474.db2.gz MWRAJMWCMCNWJE-INIZCTEOSA-N 1 0 393.329 2.776 20 0 GFADRO COCCSc1ccc([C@H](C)[NH2+]C[C@@H]2CCCN(S(C)(=O)=O)C2)cc1 ZINC000538205428 564184690 /nfs/dbraw/zinc/18/46/90/564184690.db2.gz ZGEMMHYDJWEVTM-HOTGVXAUSA-N 1 0 386.583 2.747 20 0 GFADRO CCCOc1ccc(Br)cc1C[NH2+][C@@H](CC)CNS(C)(=O)=O ZINC000449442592 564186777 /nfs/dbraw/zinc/18/67/77/564186777.db2.gz LGYRWZFQDAYPPE-AWEZNQCLSA-N 1 0 393.347 2.655 20 0 GFADRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)COc3ccc(F)cc3Br)C2)C1 ZINC000505655938 564187518 /nfs/dbraw/zinc/18/75/18/564187518.db2.gz LGZHSRZBMHREQU-QGZVFWFLSA-N 1 0 385.277 2.911 20 0 GFADRO O=C1CNC(=O)N1CC[NH2+][C@H](c1ccc(Cl)c(C(F)(F)F)c1)C1CC1 ZINC000538319443 564187885 /nfs/dbraw/zinc/18/78/85/564187885.db2.gz CVMKHHFIGWWYBS-AWEZNQCLSA-N 1 0 375.778 2.951 20 0 GFADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)NCc1cccc(Br)c1C ZINC000563369488 564188666 /nfs/dbraw/zinc/18/86/66/564188666.db2.gz HNRDVYSRGSBRBV-HNNXBMFYSA-N 1 0 384.318 2.668 20 0 GFADRO CC(=O)NC1CCC([NH2+]C[C@@H](CO)Cc2ccc(C)c(Br)c2)CC1 ZINC000449602603 564191941 /nfs/dbraw/zinc/19/19/41/564191941.db2.gz UJKQTEJDNMJOEB-AOCRQIFASA-N 1 0 397.357 2.945 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C[N@@H+](CCO)[C@H]1CCO[C@H]1C ZINC000449676564 564194696 /nfs/dbraw/zinc/19/46/96/564194696.db2.gz IBXZOMGXFXVULH-KSSFIOAISA-N 1 0 394.313 2.915 20 0 GFADRO COc1ccc(Br)cc1C[C@H](CO)C[NH2+][C@H]1CN(C2CC2)C[C@H]1C ZINC000449681886 564195547 /nfs/dbraw/zinc/19/55/47/564195547.db2.gz MSTVQVVYSSUKSF-GLJUWKHASA-N 1 0 397.357 2.681 20 0 GFADRO COc1ccc(Br)cc1C[C@H](CO)C[NH2+][C@@H]1CN(C2CC2)C[C@@H]1C ZINC000449681890 564195886 /nfs/dbraw/zinc/19/58/86/564195886.db2.gz MSTVQVVYSSUKSF-SUNYJGFJSA-N 1 0 397.357 2.681 20 0 GFADRO CC[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)NC1CC[NH+](C)CC1 ZINC000563553046 564197232 /nfs/dbraw/zinc/19/72/32/564197232.db2.gz IVEUFPNNJNQXIG-AWEZNQCLSA-N 1 0 386.323 2.641 20 0 GFADRO C[C@@H](CN1CC[NH+]([C@@H]2CCNC(=O)CC2)CC1)c1cccc(Br)c1 ZINC000449704667 564197840 /nfs/dbraw/zinc/19/78/40/564197840.db2.gz WGGTUSSDOCXMAQ-YJBOKZPZSA-N 1 0 394.357 2.839 20 0 GFADRO [NH3+]CC[C@H](NC(=O)[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)C(F)(F)F ZINC000449724279 564198749 /nfs/dbraw/zinc/19/87/49/564198749.db2.gz SWLGTXLMHVERCM-SKDRFNHKSA-N 1 0 398.212 2.742 20 0 GFADRO [NH3+]C[C@H]1CC[C@@H](NC(=O)c2cc(I)ccc2Cl)C1 ZINC000449723661 564198867 /nfs/dbraw/zinc/19/88/67/564198867.db2.gz XIRYEUJXEZXQKS-WCBMZHEXSA-N 1 0 378.641 2.802 20 0 GFADRO COCC[C@H](Cc1cccc(Br)c1)C(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000449727760 564199414 /nfs/dbraw/zinc/19/94/14/564199414.db2.gz RMEKDHPJXYAJNK-UXLLHSPISA-N 1 0 383.330 2.888 20 0 GFADRO CC[C@H](C(=O)NCc1ccc(I)c(Cl)c1)[NH+](C)C ZINC000506345221 564201484 /nfs/dbraw/zinc/20/14/84/564201484.db2.gz DZSIOQGYOBVCCW-GFCCVEGCSA-N 1 0 380.657 2.901 20 0 GFADRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2c(Br)cnn2C)C1 ZINC000449808390 564202715 /nfs/dbraw/zinc/20/27/15/564202715.db2.gz ZFCVHOMXLBOOFG-TZMCWYRMSA-N 1 0 377.286 2.748 20 0 GFADRO C[C@@H](CNC(=O)[C@@H]1Cc2cc(Br)ccc2O1)[N@@H+]1CCC[C@@H](C)C1 ZINC000471758218 564203796 /nfs/dbraw/zinc/20/37/96/564203796.db2.gz TWBCFXOKJRPOMO-IGCXYCKISA-N 1 0 381.314 2.989 20 0 GFADRO CCS(=O)(=O)c1ccc(CNC(=O)NCC[NH+]2[C@H](C)CCC[C@H]2C)s1 ZINC000471866282 564204838 /nfs/dbraw/zinc/20/48/38/564204838.db2.gz RSNJZKDXLONSFQ-ZIAGYGMSSA-N 1 0 387.571 2.604 20 0 GFADRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1ccc(I)cc1 ZINC000563733283 564204899 /nfs/dbraw/zinc/20/48/99/564204899.db2.gz MPRYDLIENSXZNY-WFASDCNBSA-N 1 0 384.261 2.990 20 0 GFADRO C[C@H]([NH2+]C[C@@H](O)COc1ccc2c(c1)OCO2)c1cncc(Br)c1 ZINC000563731839 564205011 /nfs/dbraw/zinc/20/50/11/564205011.db2.gz MISNLLCPOJWQGV-SMDDNHRTSA-N 1 0 395.253 2.663 20 0 GFADRO CCN(CCNS(=O)(=O)c1ccc(OC)cc1Cl)CCC(F)(F)F ZINC000563748654 564205121 /nfs/dbraw/zinc/20/51/21/564205121.db2.gz WXRLPCNJKYOJGI-UHFFFAOYSA-N 1 0 388.839 2.901 20 0 GFADRO CC[N@H+](CCC1CCN(c2cnn(C)c(=O)c2Br)CC1)CC1CC1 ZINC000538925909 564205268 /nfs/dbraw/zinc/20/52/68/564205268.db2.gz CYELMGMBRWPVQJ-UHFFFAOYSA-N 1 0 397.361 2.881 20 0 GFADRO O=C([C@@H]1CCC[N@@H+](Cc2cc(F)ccc2Br)C1)N1CCOCC1 ZINC000506616521 564206214 /nfs/dbraw/zinc/20/62/14/564206214.db2.gz LUFNZLZUIBUDOG-CYBMUJFWSA-N 1 0 385.277 2.659 20 0 GFADRO COCC[N@@H+]1CC[C@H](NC(=O)c2ccn(-c3ccc(Cl)cc3Cl)n2)C1 ZINC000538957801 564206439 /nfs/dbraw/zinc/20/64/39/564206439.db2.gz KTQBNQAKJGQXIO-ZDUSSCGKSA-N 1 0 383.279 2.630 20 0 GFADRO C[C@H]1C[C@@H](NC(=O)c2ccc(I)cc2F)CC[N@@H+]1C ZINC000449939314 564209897 /nfs/dbraw/zinc/20/98/97/564209897.db2.gz IQNOHKSTCWZSGH-ONGXEEELSA-N 1 0 376.213 2.643 20 0 GFADRO C[NH+](C)CC1CCN(C(=O)c2c(F)cccc2I)CC1 ZINC000472084085 564212155 /nfs/dbraw/zinc/21/21/55/564212155.db2.gz NTIBYDJNDFGRJN-UHFFFAOYSA-N 1 0 390.240 2.844 20 0 GFADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)CCOc1ccc(Cl)c(Cl)c1 ZINC000472083450 564212188 /nfs/dbraw/zinc/21/21/88/564212188.db2.gz LWXDJCRJIWYZER-AWEZNQCLSA-N 1 0 388.339 2.905 20 0 GFADRO CC(C)OCC[NH+]1CCC(Nc2ccc(I)cn2)CC1 ZINC000563921780 564212813 /nfs/dbraw/zinc/21/28/13/564212813.db2.gz OWCLWYDLQZHDOC-UHFFFAOYSA-N 1 0 389.281 2.988 20 0 GFADRO NC(=O)[C@H]1CCCN1CCC[NH2+][C@@H](c1ccc(Br)cc1)C1CC1 ZINC000539201453 564213118 /nfs/dbraw/zinc/21/31/18/564213118.db2.gz BHCCVYTVHUSMKG-IAGOWNOFSA-N 1 0 380.330 2.830 20 0 GFADRO CC[C@@H]1CN(C(=O)Cc2ccc(C)cc2Br)CC[N@@H+]1C[C@H](C)O ZINC000450027086 564213597 /nfs/dbraw/zinc/21/35/97/564213597.db2.gz NUCLPWOXSNFZBC-GOEBONIOSA-N 1 0 383.330 2.604 20 0 GFADRO CC[C@H]1CN(C(=O)c2cc(Br)c(C)cc2C)CC[N@@H+]1C[C@@H](C)O ZINC000450023099 564213771 /nfs/dbraw/zinc/21/37/71/564213771.db2.gz CVPIWNRSEXANNN-CABCVRRESA-N 1 0 383.330 2.983 20 0 GFADRO CN(CC(=O)NC1CC[NH+](C2CC2)CC1)Cc1cccc(Br)c1 ZINC000506939457 564214352 /nfs/dbraw/zinc/21/43/52/564214352.db2.gz LYTJWHMJCRILMO-UHFFFAOYSA-N 1 0 380.330 2.624 20 0 GFADRO [NH3+]C1(CNS(=O)(=O)Cc2cccc(Br)c2)CCCCCC1 ZINC000563957653 564214969 /nfs/dbraw/zinc/21/49/69/564214969.db2.gz LVMLRCWZCGSDAV-UHFFFAOYSA-N 1 0 375.332 2.920 20 0 GFADRO COc1ccc([C@@H](C)[NH2+]CCn2nc3ccccn3c2=O)cc1Br ZINC000539265276 564214933 /nfs/dbraw/zinc/21/49/33/564214933.db2.gz GLLBHIYBNCLBPE-GFCCVEGCSA-N 1 0 391.269 2.618 20 0 GFADRO C[C@H]1C[C@@H](NC(=O)c2c(F)cccc2I)CC[N@@H+]1C ZINC000472245504 564217075 /nfs/dbraw/zinc/21/70/75/564217075.db2.gz CCIIABKUMJEEHO-UWVGGRQHSA-N 1 0 376.213 2.643 20 0 GFADRO Cc1ccc(CC(=O)NCC2(O)CC[NH+](C(C)C)CC2)c(Br)c1 ZINC000450123298 564217962 /nfs/dbraw/zinc/21/79/62/564217962.db2.gz WKXWHUBWJSWAAF-UHFFFAOYSA-N 1 0 383.330 2.652 20 0 GFADRO [NH3+]CC1(NC(=O)Nc2ccc(I)cc2F)CCCC1 ZINC000564099873 564220284 /nfs/dbraw/zinc/22/02/84/564220284.db2.gz DSBCTIUMFLLDGF-UHFFFAOYSA-N 1 0 377.201 2.823 20 0 GFADRO Cc1nc(N[C@@H](C)C[NH+]2CCN(c3ccccn3)CC2)ccc1Br ZINC000564140954 564221764 /nfs/dbraw/zinc/22/17/64/564221764.db2.gz LQFKLHUPLQZNPI-AWEZNQCLSA-N 1 0 390.329 3.170 20 0 GFADRO C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+]Cc1ccnc(N(C)C)n1 ZINC000539506665 564222009 /nfs/dbraw/zinc/22/20/09/564222009.db2.gz LDWWPNWODHCKKH-LBPRGKRZSA-N 1 0 392.301 2.812 20 0 GFADRO C[C@H]([NH2+][C@@H](C)c1cc(Cl)cc(Cl)c1)C(=O)NC[C@@H]1CCS(=O)(=O)C1 ZINC000539623866 564224197 /nfs/dbraw/zinc/22/41/97/564224197.db2.gz UQSONMVCUFLCKU-SRVKXCTJSA-N 1 0 393.336 2.583 20 0 GFADRO C[C@@H]([NH2+]C[C@H]1CCCCN1S(C)(=O)=O)c1ccccc1Br ZINC000507274883 564224571 /nfs/dbraw/zinc/22/45/71/564224571.db2.gz ADXOLWGQTUFLOP-CHWSQXEVSA-N 1 0 375.332 2.914 20 0 GFADRO C[NH+](C)Cc1ccc(CNc2cc(Br)cnc2C(N)=O)cc1F ZINC000472494766 564224728 /nfs/dbraw/zinc/22/47/28/564224728.db2.gz GGUIBJKRWBYERR-UHFFFAOYSA-N 1 0 381.249 2.756 20 0 GFADRO C[C@@H](O)C[N@@H+]1CCN(c2ncc(Br)cc2C(F)(F)F)C[C@@H]1C ZINC000450316312 564226846 /nfs/dbraw/zinc/22/68/46/564226846.db2.gz YVWFCKCVQOSTKY-VHSXEESVSA-N 1 0 382.224 2.754 20 0 GFADRO CN(Cc1cn2c(n1)CCCC2)C(=O)Cc1ccc(Br)cc1O ZINC000507388338 564228260 /nfs/dbraw/zinc/22/82/60/564228260.db2.gz WMJGNTADHXFHJF-UHFFFAOYSA-N 1 0 378.270 2.889 20 0 GFADRO Cc1ccc(CCC[NH2+]CCNS(=O)(=O)c2ccc(Cl)cc2C)cn1 ZINC000564316604 564228428 /nfs/dbraw/zinc/22/84/28/564228428.db2.gz SBNPEWNOYJEXIC-UHFFFAOYSA-N 1 0 381.929 2.853 20 0 GFADRO Brc1ccc2c(c1)ncnc2N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000450353103 564228392 /nfs/dbraw/zinc/22/83/92/564228392.db2.gz DLFPOFGSKVJIRX-CYBMUJFWSA-N 1 0 377.286 2.551 20 0 GFADRO CN1CCC[C@@H]([NH+]2CCC(C(=O)Nc3ccccc3Br)CC2)C1=O ZINC000539808916 564228417 /nfs/dbraw/zinc/22/84/17/564228417.db2.gz UEAMFNMQOGOGRW-MRXNPFEDSA-N 1 0 394.313 2.720 20 0 GFADRO CNS(=O)(=O)[C@@H]1CCC[N@H+](CCSc2ccnc3cc(Cl)ccc32)C1 ZINC000539808605 564228931 /nfs/dbraw/zinc/22/89/31/564228931.db2.gz GFMJEJWBEVUIOB-CQSZACIVSA-N 1 0 399.969 2.994 20 0 GFADRO CCN1CCN(C(=O)C(=O)Nc2cccc(Cl)c2Br)[C@H](C)C1 ZINC000507489116 564229971 /nfs/dbraw/zinc/22/99/71/564229971.db2.gz ZCFAGIRHFGKTBC-SNVBAGLBSA-N 1 0 388.693 2.594 20 0 GFADRO O=C(NCCSCC(F)(F)F)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000539890584 564231904 /nfs/dbraw/zinc/23/19/04/564231904.db2.gz AEMCWIPKDPWAON-UHFFFAOYSA-N 1 0 383.480 2.616 20 0 GFADRO CN1CCN(C(=O)CC[NH2+][C@H]2CCCc3ccc(Br)cc32)CC1 ZINC000539970015 564234515 /nfs/dbraw/zinc/23/45/15/564234515.db2.gz ZPPVAWPMZNYCLK-KRWDZBQOSA-N 1 0 380.330 2.580 20 0 GFADRO C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)Cc1csc(NC(=O)c2cccs2)n1 ZINC000540012248 564236775 /nfs/dbraw/zinc/23/67/75/564236775.db2.gz JIOKUOBWYMLELF-RYUDHWBXSA-N 1 0 378.523 2.550 20 0 GFADRO CO[C@@H]1[C@H]2C[C@H]3C[N@H+](Cc4cn(-c5ccccc5Br)nn4)[C@H]1[C@H]3C2 ZINC000564532670 564237843 /nfs/dbraw/zinc/23/78/43/564237843.db2.gz HYLJIMQSKMLPQU-VCMWWZGJSA-N 1 0 389.297 2.885 20 0 GFADRO CS(=O)(=O)N1CCC[C@H]([NH2+][C@H]2CCc3ccc(OC(F)(F)F)cc32)C1 ZINC000540193434 564241812 /nfs/dbraw/zinc/24/18/12/564241812.db2.gz HTMYZWBZBODTMZ-WFASDCNBSA-N 1 0 378.416 2.586 20 0 GFADRO CC[C@@H]1C[C@@H](C[NH+]2CCN(c3ncc(Br)c(OC)n3)CC2)CCO1 ZINC000507770278 564243059 /nfs/dbraw/zinc/24/30/59/564243059.db2.gz CZUKWHGGECRHMA-UONOGXRCSA-N 1 0 399.333 2.575 20 0 GFADRO CCOc1cccc(C[NH2+]CCC2CCS(=O)(=O)CC2)c1OC(F)F ZINC000507835976 564244415 /nfs/dbraw/zinc/24/44/15/564244415.db2.gz YTOOAJQTQIODMM-UHFFFAOYSA-N 1 0 377.453 2.991 20 0 GFADRO NC(=O)[C@H]([NH2+]CCc1c[nH]c2ncccc12)c1ccc(Br)cc1F ZINC000507854525 564245205 /nfs/dbraw/zinc/24/52/05/564245205.db2.gz YOXORZOZLOHLOT-OAHLLOKOSA-N 1 0 391.244 2.823 20 0 GFADRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)c1cnnn1-c1c(Cl)cccc1Cl ZINC000564788186 564248668 /nfs/dbraw/zinc/24/86/68/564248668.db2.gz OYGWPIXUKKYQGZ-LBPRGKRZSA-N 1 0 382.295 2.988 20 0 GFADRO Cn1cc([C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3cc(Cl)cc(Cl)c3)C[C@H]2[NH3+])cn1 ZINC000564793208 564249074 /nfs/dbraw/zinc/24/90/74/564249074.db2.gz PKSMSZWGQJGVPT-VVLHAWIVSA-N 1 0 379.291 2.784 20 0 GFADRO C[NH+]1CCC2(CCCN2S(=O)(=O)Cc2ccc(Br)cc2)CC1 ZINC000507970481 564249928 /nfs/dbraw/zinc/24/99/28/564249928.db2.gz OSMCDGBCSNLFIW-UHFFFAOYSA-N 1 0 387.343 2.839 20 0 GFADRO O=C(c1ccc(S(=O)(=O)c2ccccc2)s1)N1CCC2(CC[NH2+]2)CC1 ZINC000564828463 564250646 /nfs/dbraw/zinc/25/06/46/564250646.db2.gz JHFIBAVSZLTETB-UHFFFAOYSA-N 1 0 376.503 2.549 20 0 GFADRO COc1ccc(NC(=O)N[C@@H](C)CC[NH+]2CCN(C)CC2)c(Br)c1 ZINC000473675480 564252835 /nfs/dbraw/zinc/25/28/35/564252835.db2.gz LJGAQZYEGOQLSW-ZDUSSCGKSA-N 1 0 399.333 2.605 20 0 GFADRO C[N@@H+]1CC[C@@](O)(CNC(=O)C2(c3ccccc3Br)CCCCC2)C1 ZINC000450887519 564253128 /nfs/dbraw/zinc/25/31/28/564253128.db2.gz ZHJRMIPSTZBTHA-GOSISDBHSA-N 1 0 395.341 2.834 20 0 GFADRO Cc1ccc(Br)cc1C[N@@H+]1CCC[C@@](O)(C(=O)N2CCCC2)C1 ZINC000450960683 564256921 /nfs/dbraw/zinc/25/69/21/564256921.db2.gz PHIHGHQKLSGBOS-SFHVURJKSA-N 1 0 381.314 2.707 20 0 GFADRO CCN(CCC[NH+](CC)CC)S(=O)(=O)c1ccc(Br)cn1 ZINC000473932013 564257710 /nfs/dbraw/zinc/25/77/10/564257710.db2.gz JZNLPEWNZKJRCM-UHFFFAOYSA-N 1 0 378.336 2.587 20 0 GFADRO CC(C)C[C@@H](C[NH+](C)C)NS(=O)(=O)c1ccc(OCC(F)(F)F)cc1 ZINC000473941442 564258676 /nfs/dbraw/zinc/25/86/76/564258676.db2.gz QYMADAYJJIKCDO-ZDUSSCGKSA-N 1 0 382.448 2.882 20 0 GFADRO CCN(CCC[NH+]1CCCC1)S(=O)(=O)c1cc(Cl)cc(C(=O)OC)c1 ZINC000473952179 564259495 /nfs/dbraw/zinc/25/94/95/564259495.db2.gz PRAWIOZHGVOBTO-UHFFFAOYSA-N 1 0 388.917 2.623 20 0 GFADRO CC[C@H]([NH3+])CNS(=O)(=O)c1csc(-c2cccc(Br)c2)n1 ZINC000564966996 564259735 /nfs/dbraw/zinc/25/97/35/564259735.db2.gz QCFQEBMWRFWWNK-NSHDSACASA-N 1 0 390.328 2.588 20 0 GFADRO CCCN(C1CC[NH2+]CC1)S(=O)(=O)c1cc(C(=O)OC)cc(Cl)c1C ZINC000564960378 564260111 /nfs/dbraw/zinc/26/01/11/564260111.db2.gz SRTPVZMXRDJNAP-UHFFFAOYSA-N 1 0 388.917 2.588 20 0 GFADRO C[N@@H+]1CCN(CCNC(=O)[C@H]2C[C@@H]2c2ccc(Br)cc2)CC1(C)C ZINC000508281773 564260130 /nfs/dbraw/zinc/26/01/30/564260130.db2.gz BAXPDIQYXIHIKW-SJORKVTESA-N 1 0 394.357 2.695 20 0 GFADRO CCCC[C@@H](C[NH3+])NS(=O)(=O)c1cc(Cl)c(OCCOC)c(Cl)c1 ZINC000564959779 564260282 /nfs/dbraw/zinc/26/02/82/564260282.db2.gz POCZOCQJJSUHJG-NSHDSACASA-N 1 0 399.340 2.814 20 0 GFADRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)N[C@@H](CO)c2ccc(Br)cc2)C1 ZINC000540910245 564260481 /nfs/dbraw/zinc/26/04/81/564260481.db2.gz SMEOPGXJFHXLHX-BBRMVZONSA-N 1 0 384.318 2.512 20 0 GFADRO C[NH+](C)CCNC(=O)N[C@@H](Cc1ccccn1)c1ccc(Br)cc1 ZINC000473969589 564260596 /nfs/dbraw/zinc/26/05/96/564260596.db2.gz YFKSPVBROAQKKE-KRWDZBQOSA-N 1 0 391.313 2.989 20 0 GFADRO O[C@@H](C[NH2+]C[C@H](O)COc1ccc(Br)cc1)Cc1cccc(F)c1 ZINC000564974896 564261053 /nfs/dbraw/zinc/26/10/53/564261053.db2.gz DOSRDRPXNVAQID-SJORKVTESA-N 1 0 398.272 2.521 20 0 GFADRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+]Cc1ncc(Br)cc1Br ZINC000473995921 564261551 /nfs/dbraw/zinc/26/15/51/564261551.db2.gz UUVRYIILVLXWIC-MWLCHTKSSA-N 1 0 391.107 2.611 20 0 GFADRO C[N@H+](CCO)C1CCN(S(=O)(=O)c2sc3ccccc3c2Cl)CC1 ZINC000451014443 564262896 /nfs/dbraw/zinc/26/28/96/564262896.db2.gz LSMOVJFEAYKHCS-UHFFFAOYSA-N 1 0 388.942 2.632 20 0 GFADRO CC(=O)N[C@@H](CC(=O)NCC1([NH+](C)C)CCC1)c1ccc(Br)cc1 ZINC000474097491 564265312 /nfs/dbraw/zinc/26/53/12/564265312.db2.gz LUFPNXJEBHWEHY-INIZCTEOSA-N 1 0 396.329 2.617 20 0 GFADRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)CNC(=O)c1ccc(Br)cc1 ZINC000474161649 564267702 /nfs/dbraw/zinc/26/77/02/564267702.db2.gz YFFVZQNNMTVZDH-ZIAGYGMSSA-N 1 0 396.329 2.558 20 0 GFADRO Cc1c2cccc(Br)c2oc1C(=O)N[C@@H](C)CN1CC[NH+](C)CC1 ZINC000541152375 564267696 /nfs/dbraw/zinc/26/76/96/564267696.db2.gz VMJUIJKWFICQCE-LBPRGKRZSA-N 1 0 394.313 2.869 20 0 GFADRO COc1cc(Br)ccc1CCC(=O)N(C)[C@H]1C[NH+]2CCC1CC2 ZINC000541152526 564267747 /nfs/dbraw/zinc/26/77/47/564267747.db2.gz BJHVZVDSQNFLAI-INIZCTEOSA-N 1 0 381.314 2.943 20 0 GFADRO COC(=O)[C@H](c1ccccc1C(F)(F)F)N1C[C@@H]([NH+](C)C)[C@@H](SC)C1 ZINC000541203121 564268347 /nfs/dbraw/zinc/26/83/47/564268347.db2.gz RCOWHJFFHKTYGQ-ILXRZTDVSA-N 1 0 376.444 2.897 20 0 GFADRO C[N@@H+]1CCC[C@@H]1CNC(=O)N[C@H](CO)c1ccc(Cl)cc1C(F)(F)F ZINC000474178633 564268755 /nfs/dbraw/zinc/26/87/55/564268755.db2.gz QNNSMZGVQRIJEL-BXUZGUMPSA-N 1 0 379.810 2.786 20 0 GFADRO CC(C)[NH+]1CCN(C(=O)N[C@H]2COc3cc(F)c(Br)cc32)CC1 ZINC000508662064 564269528 /nfs/dbraw/zinc/26/95/28/564269528.db2.gz KLYFDMJOGUOMBI-AWEZNQCLSA-N 1 0 386.265 2.757 20 0 GFADRO Cc1csc([C@H]2COCCN2C(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)n1 ZINC000565194436 564270645 /nfs/dbraw/zinc/27/06/45/564270645.db2.gz HQYVXXQZXSFIGC-HZPDHXFCSA-N 1 0 381.567 2.569 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1CCNC(=O)NCCOc1ncc(Cl)cc1Cl ZINC000474247431 564271678 /nfs/dbraw/zinc/27/16/78/564271678.db2.gz HETHNSQYSRMVHJ-GFCCVEGCSA-N 1 0 375.300 2.941 20 0 GFADRO CC(C)Sc1cc(Br)ccc1CN1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000565232890 564271896 /nfs/dbraw/zinc/27/18/96/564271896.db2.gz GFNTVTYQABORHT-LSDHHAIUSA-N 1 0 398.370 2.693 20 0 GFADRO C[N@H+](Cc1ccc(OC(F)(F)F)c(Br)c1)CC(C)(CO)CO ZINC000474281836 564273642 /nfs/dbraw/zinc/27/36/42/564273642.db2.gz FJVRVHPTXCKKGB-UHFFFAOYSA-N 1 0 386.208 2.770 20 0 GFADRO CC[NH+](CC)CCS(=O)(=O)N[C@@H](C)c1ccc(Br)cc1F ZINC000565332353 564276005 /nfs/dbraw/zinc/27/60/05/564276005.db2.gz GEZQFZSZTMOOAJ-NSHDSACASA-N 1 0 381.311 2.910 20 0 GFADRO CS(=O)(=O)c1ccc(-c2nc(C3([NH3+])CCCC3)no2)cc1Br ZINC000565362604 564277809 /nfs/dbraw/zinc/27/78/09/564277809.db2.gz ITSTWEOKPBUQGA-UHFFFAOYSA-N 1 0 386.271 2.631 20 0 GFADRO CCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(Br)c(C)c1 ZINC000508986908 564278086 /nfs/dbraw/zinc/27/80/86/564278086.db2.gz KVGQKYQZYVPANE-AWEZNQCLSA-N 1 0 382.302 2.687 20 0 GFADRO C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@H]1CCCC(=O)N1 ZINC000509029681 564278639 /nfs/dbraw/zinc/27/86/39/564278639.db2.gz LIMFRMFAWIOTAQ-MRXNPFEDSA-N 1 0 386.323 2.942 20 0 GFADRO O[C@@H](CNCc1ccc(OC(F)(F)F)c(Br)c1)C[NH+]1CCCC1 ZINC000474633494 564283957 /nfs/dbraw/zinc/28/39/57/564283957.db2.gz UJZZHDAMMNLIFV-LBPRGKRZSA-N 1 0 397.235 2.894 20 0 GFADRO C[NH+](C)C1CN(C(=O)Nc2ccc(Br)cc2Br)C1 ZINC000541677854 564285999 /nfs/dbraw/zinc/28/59/99/564285999.db2.gz XQMVJFGICAWGAL-UHFFFAOYSA-N 1 0 377.080 2.989 20 0 GFADRO COCC[C@](C)(O)C[NH2+][C@@H](C)CCc1ccc(I)cc1 ZINC000474721752 564286812 /nfs/dbraw/zinc/28/68/12/564286812.db2.gz VNWYFHAULDYGCQ-BBRMVZONSA-N 1 0 391.293 2.989 20 0 GFADRO CN(CC[NH+]1CCCC1)C(=O)c1cc(I)ccc1F ZINC000474703883 564286858 /nfs/dbraw/zinc/28/68/58/564286858.db2.gz OQVZMVDKSHSBJF-UHFFFAOYSA-N 1 0 376.213 2.598 20 0 GFADRO CO[C@@](C)([C@@H](C)[NH2+]Cc1cc(=O)n2cc(Br)ccc2n1)C1CC1 ZINC000565585139 564287134 /nfs/dbraw/zinc/28/71/34/564287134.db2.gz MKAGMMCUKSNMHG-DIFFPNOSSA-N 1 0 380.286 2.750 20 0 GFADRO CSc1ccc(C)c(NC(=O)C(=O)NCC2(SC)CC[NH+](C)CC2)c1 ZINC000565631465 564289159 /nfs/dbraw/zinc/28/91/59/564289159.db2.gz OWFROJPLQAGRQF-UHFFFAOYSA-N 1 0 381.567 2.599 20 0 GFADRO C[NH+](C)CCOCCNC(=O)N1CCC(c2cccc(Br)c2)CC1 ZINC000541781037 564289195 /nfs/dbraw/zinc/28/91/95/564289195.db2.gz XSNDDPJAYDZGQL-UHFFFAOYSA-N 1 0 398.345 2.916 20 0 GFADRO Fc1ccc(I)c(F)c1C[NH2+][C@@H]1CCc2n[nH]cc2C1 ZINC000474798270 564289539 /nfs/dbraw/zinc/28/95/39/564289539.db2.gz CMXPTAWMHIAGIM-SECBINFHSA-N 1 0 389.187 2.940 20 0 GFADRO C[C@H](CCc1ccc(I)cc1)[NH2+][C@H]1CCC(=O)N(C)C1 ZINC000474815524 564290372 /nfs/dbraw/zinc/29/03/72/564290372.db2.gz ZEDVZMLSMLEPSB-DOMZBBRYSA-N 1 0 386.277 2.823 20 0 GFADRO C[C@@H](CCc1ccc(I)cc1)[NH2+]CCc1ncn(C)n1 ZINC000474805319 564290529 /nfs/dbraw/zinc/29/05/29/564290529.db2.gz AZQHOBMRQPICHW-LBPRGKRZSA-N 1 0 384.265 2.573 20 0 GFADRO C[C@](O)(C[NH2+]C[C@@H](CO)Cc1cccc(OC(F)(F)F)c1)C(F)(F)F ZINC000565775314 564295570 /nfs/dbraw/zinc/29/55/70/564295570.db2.gz NBSGAELYZFLTPN-AAEUAGOBSA-N 1 0 375.309 2.639 20 0 GFADRO CC[NH+](CC)[C@@H]1CCN(S(=O)(=O)Cc2ccc(Br)c(F)c2)C1 ZINC000451281225 564295799 /nfs/dbraw/zinc/29/57/99/564295799.db2.gz JGUVWSJITDLCLW-CYBMUJFWSA-N 1 0 393.322 2.834 20 0 GFADRO COc1ccccc1[C@@H](CO)[NH2+]C[C@@H](O)COc1ccc(Br)cc1 ZINC000541985493 564297299 /nfs/dbraw/zinc/29/72/99/564297299.db2.gz YZSBVENUTNZZEQ-RHSMWYFYSA-N 1 0 396.281 2.521 20 0 GFADRO Cc1ccccc1[C@@H](CO)[NH2+]C[C@H](O)COc1ccc(Br)cc1 ZINC000541980730 564297570 /nfs/dbraw/zinc/29/75/70/564297570.db2.gz KTMVFYPKAOPKID-MAUKXSAKSA-N 1 0 380.282 2.820 20 0 GFADRO O=C(N[C@@H]1C[NH2+]CCC1(F)F)N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 ZINC000565822606 564297745 /nfs/dbraw/zinc/29/77/45/564297745.db2.gz CCQIVGCIMCWPHC-ZIAGYGMSSA-N 1 0 377.794 2.559 20 0 GFADRO Cn1c2cc(Br)ccc2nc1C[N@@H+]1C[C@H](O)C[C@H]1[C@@H]1CCCOC1 ZINC000451308426 564298677 /nfs/dbraw/zinc/29/86/77/564298677.db2.gz VOGWEGWGDZIERD-XPKDYRNWSA-N 1 0 394.313 2.698 20 0 GFADRO CC(C)CC[C@@H](O)C[NH2+]CCNS(=O)(=O)c1cccc(Cl)c1Cl ZINC000565887816 564300388 /nfs/dbraw/zinc/30/03/88/564300388.db2.gz COWYOEJDUJUEOG-GFCCVEGCSA-N 1 0 383.341 2.658 20 0 GFADRO CS(=O)(=O)c1cc(NC(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)ccc1Cl ZINC000565939374 564303381 /nfs/dbraw/zinc/30/33/81/564303381.db2.gz QXQILCCQINMOCA-ZDUSSCGKSA-N 1 0 385.917 2.597 20 0 GFADRO C[N@@H+]1CCC[C@H](CNC(=O)NCC[C@@H](O)C(F)(F)F)[C@@H]1c1cccs1 ZINC000542186517 564304181 /nfs/dbraw/zinc/30/41/81/564304181.db2.gz VMGCJDNAHFQOBL-MRVWCRGKSA-N 1 0 379.448 2.744 20 0 GFADRO CC[C@@H]1C[N@H+](C)CCCN1S(=O)(=O)c1cccc(C)c1Br ZINC000565978614 564304432 /nfs/dbraw/zinc/30/44/32/564304432.db2.gz GHKPNPFFNGVWNI-CYBMUJFWSA-N 1 0 375.332 2.862 20 0 GFADRO C[C@H](CNC(=O)COC1CCC([NH3+])CC1)Oc1cccc(Br)c1 ZINC000566007849 564305849 /nfs/dbraw/zinc/30/58/49/564305849.db2.gz VJRFPUIZMKUERC-LRVUVFPRSA-N 1 0 385.302 2.619 20 0 GFADRO COc1ccc(Br)cc1CC(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000566008589 564306084 /nfs/dbraw/zinc/30/60/84/564306084.db2.gz RDCNINSZUJUYDO-KGLIPLIRSA-N 1 0 381.314 2.848 20 0 GFADRO O[C@@H]1CC[C@H]2C[N@H+](CCCOc3cccc(I)c3)C[C@@H]12 ZINC000542245711 564306359 /nfs/dbraw/zinc/30/63/59/564306359.db2.gz PXFQRLJYMATAKF-APHBMKBZSA-N 1 0 387.261 2.763 20 0 GFADRO C[NH+](C)CCCOc1cnccc1CNC(=O)C(=O)c1ccc(Cl)s1 ZINC000566075486 564308767 /nfs/dbraw/zinc/30/87/67/564308767.db2.gz QXPAUMXZONHJQC-UHFFFAOYSA-N 1 0 381.885 2.626 20 0 GFADRO O=C(c1cc(Br)ccc1F)N1CC[C@H](OCC[NH+]2CCCC2)C1 ZINC000475453484 564309522 /nfs/dbraw/zinc/30/95/22/564309522.db2.gz QWWOGVCKSZZXKR-AWEZNQCLSA-N 1 0 385.277 2.915 20 0 GFADRO Cc1c(Br)cccc1NC(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)[C@@H]1C ZINC000509739599 564312004 /nfs/dbraw/zinc/31/20/04/564312004.db2.gz JANKKMKAXCMGJE-XJKSGUPXSA-N 1 0 394.313 2.781 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)[C@@H]1C ZINC000509773323 564312761 /nfs/dbraw/zinc/31/27/61/564312761.db2.gz SSOVKRNSRRQOCG-XJKSGUPXSA-N 1 0 394.313 2.781 20 0 GFADRO CC(C)[C@H](Oc1ccccc1Br)C(=O)NCCOCC[NH+](C)C ZINC000542457988 564313094 /nfs/dbraw/zinc/31/30/94/564313094.db2.gz XMRGJPZQFXZSBE-INIZCTEOSA-N 1 0 387.318 2.547 20 0 GFADRO CC[C@@H]1[NH2+]CC[C@H]1C(=O)N[C@@H](CC(=O)OC)c1ccc(Br)cc1 ZINC000566165111 564313780 /nfs/dbraw/zinc/31/37/80/564313780.db2.gz FYSPUFXQZQBDCE-ILXRZTDVSA-N 1 0 383.286 2.558 20 0 GFADRO CC[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000566179206 564314187 /nfs/dbraw/zinc/31/41/87/564314187.db2.gz AGMSKFAPSWFTCZ-HOCLYGCPSA-N 1 0 386.323 2.689 20 0 GFADRO CC[N@@H+]1CCC[C@@H](CNC(=O)CCCS(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000509839627 564314518 /nfs/dbraw/zinc/31/45/18/564314518.db2.gz NMCJGOPDMAKPTL-HNNXBMFYSA-N 1 0 386.945 2.742 20 0 GFADRO CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)S(=O)(=O)c1ccsc1 ZINC000509894579 564316653 /nfs/dbraw/zinc/31/66/53/564316653.db2.gz PBYYNLQKUXUHDH-UHFFFAOYSA-N 1 0 385.599 2.565 20 0 GFADRO C[C@@H]1C[C@H](C)[C@@H](C)[N@H+](CC(=O)NCC(=O)Nc2ccccc2Br)C1 ZINC000475733520 564317707 /nfs/dbraw/zinc/31/77/07/564317707.db2.gz UGPWELQLGSOMRK-HZSPNIEDSA-N 1 0 396.329 2.870 20 0 GFADRO Brc1ccc(CN2CC[C@@]3(C2)CCC[NH2+]C3)c(N2CCOCC2)c1 ZINC000566230281 564318003 /nfs/dbraw/zinc/31/80/03/564318003.db2.gz YAPHHFYURYKYQR-IBGZPJMESA-N 1 0 394.357 2.861 20 0 GFADRO CO[C@@H]1C[C@@H]([NH2+]CCS(=O)(=O)c2ccc(Br)cc2)C1(C)C ZINC000451475899 564318058 /nfs/dbraw/zinc/31/80/58/564318058.db2.gz DLWBJXCXJYYDRY-ZIAGYGMSSA-N 1 0 376.316 2.626 20 0 GFADRO C[C@@H]([NH2+]CC(=O)N(C)Cc1cc(Br)cs1)[C@H]1CCCOC1 ZINC000542579051 564318229 /nfs/dbraw/zinc/31/82/29/564318229.db2.gz WBQIKPWIIWTIFM-NEPJUHHUSA-N 1 0 375.332 2.874 20 0 GFADRO CS[C@H]1CN(S(=O)(=O)CCc2cccc(Cl)c2)C[C@@H]1[NH+]1CCCC1 ZINC000509945239 564319024 /nfs/dbraw/zinc/31/90/24/564319024.db2.gz SIJOLWHQWWTJHE-IRXDYDNUSA-N 1 0 388.986 2.724 20 0 GFADRO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NC1(c2cccc(Br)c2)CCOCC1 ZINC000566245460 564319206 /nfs/dbraw/zinc/31/92/06/564319206.db2.gz KMOGIDJRBCQDRL-HOTGVXAUSA-N 1 0 381.314 2.959 20 0 GFADRO CC[NH+]1CCN(CCC(=O)N2CCc3c(Br)cccc3[C@@H]2C)CC1 ZINC000509984736 564320511 /nfs/dbraw/zinc/32/05/11/564320511.db2.gz UEVKZGAYEBGHPY-HNNXBMFYSA-N 1 0 394.357 2.922 20 0 GFADRO O=C(COc1ccccc1)N1CC[C@H]([NH2+]Cc2ccc(Br)o2)C1 ZINC000509992169 564320872 /nfs/dbraw/zinc/32/08/72/564320872.db2.gz YLVYHKCXWYNKSM-ZDUSSCGKSA-N 1 0 379.254 2.812 20 0 GFADRO CO[C@@H]1C[C@H]([NH2+]CCS(=O)(=O)c2cccc(Br)c2)C1(C)C ZINC000451513073 564321074 /nfs/dbraw/zinc/32/10/74/564321074.db2.gz YKAVNZNFJDNHIH-UONOGXRCSA-N 1 0 376.316 2.626 20 0 GFADRO CCS(=O)(=O)N1CCC(C[NH2+]Cc2ccc(C)c(Br)c2)CC1 ZINC000542708370 564321754 /nfs/dbraw/zinc/32/17/54/564321754.db2.gz ZZTOCFLJIGXWKH-UHFFFAOYSA-N 1 0 389.359 2.909 20 0 GFADRO COC(=O)c1cc(C[NH2+]CCC(=O)Nc2ccc(Br)cc2C)c[nH]1 ZINC000542691739 564321929 /nfs/dbraw/zinc/32/19/29/564321929.db2.gz KEGPZDMYIOKAJG-UHFFFAOYSA-N 1 0 394.269 2.991 20 0 GFADRO CCS(=O)(=O)N1CCC(C[NH2+]Cc2ccc(OC)c(OC)c2Cl)CC1 ZINC000542709998 564321992 /nfs/dbraw/zinc/32/19/92/564321992.db2.gz PSDVGGSEUUGFMJ-UHFFFAOYSA-N 1 0 390.933 2.509 20 0 GFADRO CCS(=O)(=O)N1CCC(C[NH2+]Cc2ccc(Br)cc2)CC1 ZINC000542720287 564323243 /nfs/dbraw/zinc/32/32/43/564323243.db2.gz XBHHWSYLZDBHJY-UHFFFAOYSA-N 1 0 375.332 2.600 20 0 GFADRO COC(=O)C[C@H]1CSCC[N@@H+]1CCOc1ccc(OC(F)(F)F)cc1 ZINC000475894328 564323632 /nfs/dbraw/zinc/32/36/32/564323632.db2.gz FCKPKUAPIAMWLX-LBPRGKRZSA-N 1 0 379.400 2.945 20 0 GFADRO C[C@H](Sc1nnnn1CC[NH+](C)C)C(=O)Nc1cc(Cl)ccc1Cl ZINC000510068988 564324502 /nfs/dbraw/zinc/32/45/02/564324502.db2.gz AGLWWHDURHZVAR-VIFPVBQESA-N 1 0 389.312 2.661 20 0 GFADRO C[C@@H]1CN(C[C@H](O)C[N@@H+]2CC[C@H](c3cccc(Br)c3)C2)C[C@@H](C)O1 ZINC000451561983 564325919 /nfs/dbraw/zinc/32/59/19/564325919.db2.gz CDXAZPBHIBQVEM-IIHSZXCVSA-N 1 0 397.357 2.709 20 0 GFADRO CC1(C)NC(=O)N(CCC[N@@H+]2CC[C@@H](c3cccc(Br)c3)C2)C1=O ZINC000451567121 564326701 /nfs/dbraw/zinc/32/67/01/564326701.db2.gz KUKCFGBJYFMLTL-CQSZACIVSA-N 1 0 394.313 2.959 20 0 GFADRO C[C@H](NC(=O)NCc1n[nH]cc1Br)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000542829468 564327485 /nfs/dbraw/zinc/32/74/85/564327485.db2.gz PEZDMLKMOUVTKO-RYUDHWBXSA-N 1 0 384.322 2.624 20 0 GFADRO CC[C@@H](C)[NH2+][C@@H](CNS(=O)(=O)c1cc(C(=O)OC)cs1)c1ccco1 ZINC000510361505 564330819 /nfs/dbraw/zinc/33/08/19/564330819.db2.gz CNCWGDQAEHVLDG-YPMHNXCESA-N 1 0 386.495 2.535 20 0 GFADRO NC(=O)[C@H]([NH2+][C@@H]([C@@H](CO)C1CC1)C1CC1)c1ccc(Br)cc1F ZINC000451606495 564331147 /nfs/dbraw/zinc/33/11/47/564331147.db2.gz LOYWKFKXRAESCM-NUEKZKHPSA-N 1 0 385.277 2.501 20 0 GFADRO CN1CCN(S(=O)(=O)c2cccc(Br)c2F)c2c[nH+]ccc21 ZINC000543069347 564337355 /nfs/dbraw/zinc/33/73/55/564337355.db2.gz NCSPNMTUGGWUQX-UHFFFAOYSA-N 1 0 386.246 2.628 20 0 GFADRO COc1ncc([C@H](C)[NH2+]CCNS(=O)(=O)c2ccc(C)cc2)cc1Cl ZINC000566730309 564340361 /nfs/dbraw/zinc/34/03/61/564340361.db2.gz ZEUWENYPWLWJIU-ZDUSSCGKSA-N 1 0 383.901 2.681 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)N[C@H](Cc2cccc(Br)c2)CC2CC2)CCO1 ZINC000566727836 564340372 /nfs/dbraw/zinc/34/03/72/564340372.db2.gz KTSMTCFALTXZFG-IRXDYDNUSA-N 1 0 396.329 2.529 20 0 GFADRO CS(=O)(=O)N[C@H]1CCCC[C@H]1[NH2+]CCc1cccc(OC(F)(F)F)c1 ZINC000510745164 564345539 /nfs/dbraw/zinc/34/55/39/564345539.db2.gz JCVFCPIMWSJJRO-CABCVRRESA-N 1 0 380.432 2.578 20 0 GFADRO CN([C@@H](CO)c1ccc(Cl)cc1)S(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000451741439 564346793 /nfs/dbraw/zinc/34/67/93/564346793.db2.gz CRAKAJWSHLBQEH-SFHVURJKSA-N 1 0 382.913 2.756 20 0 GFADRO O=C1COc2ccc(C[NH2+]CCOc3ccc(Br)cc3)cc2N1 ZINC000510886108 564349675 /nfs/dbraw/zinc/34/96/75/564349675.db2.gz BJMZJYCYDFQDDT-UHFFFAOYSA-N 1 0 377.238 2.949 20 0 GFADRO COC(=O)c1cc(NC(=O)N[C@@H](C)C[C@@H](C)[NH3+])cc(Br)c1F ZINC000566914892 564349820 /nfs/dbraw/zinc/34/98/20/564349820.db2.gz DCCMTEVLRZPAMN-SFYZADRCSA-N 1 0 376.226 2.622 20 0 GFADRO O=C(c1cccc(F)c1Br)N1CC[C@@H](OCC[NH+]2CCCC2)C1 ZINC000476654403 564350145 /nfs/dbraw/zinc/35/01/45/564350145.db2.gz CDHWMJNRBDBASK-CYBMUJFWSA-N 1 0 385.277 2.915 20 0 GFADRO CS(=O)(=O)C[C@H]([NH2+][C@@H]1CCN(c2ccc(Cl)cc2Cl)C1)C1CC1 ZINC000566964355 564351828 /nfs/dbraw/zinc/35/18/28/564351828.db2.gz CQXSTCCMMMCLJB-HIFRSBDPSA-N 1 0 377.337 2.985 20 0 GFADRO C[C@@H]([NH2+][C@H](C)c1cccc(S(N)(=O)=O)c1)C(=O)Nc1cccc(Cl)c1 ZINC000511031677 564353896 /nfs/dbraw/zinc/35/38/96/564353896.db2.gz OGIPKPHOBIWBRK-VXGBXAGGSA-N 1 0 381.885 2.665 20 0 GFADRO Cn1nccc1[C@@H]1C[C@@H]([NH2+]Cc2cnc3ccc(Br)cn23)CCO1 ZINC000567071306 564356214 /nfs/dbraw/zinc/35/62/14/564356214.db2.gz DVFZLXGYXSUGTL-BBRMVZONSA-N 1 0 390.285 2.840 20 0 GFADRO C[C@H](O)C[N@@H+]1CCN(C(=O)CCCc2ccccc2Br)[C@H](C)C1 ZINC000476869946 564356488 /nfs/dbraw/zinc/35/64/88/564356488.db2.gz MXAXGCOZZRKNMQ-CABCVRRESA-N 1 0 383.330 2.685 20 0 GFADRO CN(C[C@H]1CCC[N@H+](CCOc2cc(Cl)cc(Cl)c2)C1)S(C)(=O)=O ZINC000511093437 564356646 /nfs/dbraw/zinc/35/66/46/564356646.db2.gz VTOHYWCUGNKKBC-CYBMUJFWSA-N 1 0 395.352 2.976 20 0 GFADRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1c(Cl)cccc1S(C)(=O)=O ZINC000476882023 564357619 /nfs/dbraw/zinc/35/76/19/564357619.db2.gz OREKSOYVKCHIFW-MJBXVCDLSA-N 1 0 386.945 2.840 20 0 GFADRO O=C(Nc1ccc(I)cc1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000567141974 564359267 /nfs/dbraw/zinc/35/92/67/564359267.db2.gz UDGBOTJYVLNIMI-HNNXBMFYSA-N 1 0 385.249 2.899 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(S(=O)(=O)c3cc(Cl)ccc3OCC3CCC3)C[C@@H]21 ZINC000451879220 564361372 /nfs/dbraw/zinc/36/13/72/564361372.db2.gz PYTVHPDAFOFIFK-ZBFHGGJFSA-N 1 0 384.929 2.844 20 0 GFADRO C[NH+](C)CCCC(C)(C)NS(=O)(=O)Cc1ccc(Br)cc1 ZINC000451885739 564362236 /nfs/dbraw/zinc/36/22/36/564362236.db2.gz IAQLBHNTVOEEAO-UHFFFAOYSA-N 1 0 377.348 2.989 20 0 GFADRO CSC[C@H]([NH2+]C[C@@H]1CS(=O)(=O)CCO1)c1ccc(C(F)(F)F)cc1 ZINC000543773831 564362500 /nfs/dbraw/zinc/36/25/00/564362500.db2.gz DALLGBAVQRLSKK-KGLIPLIRSA-N 1 0 383.457 2.513 20 0 GFADRO CN(Cc1c(F)cccc1Cl)S(=O)(=O)N[C@@H](c1nccn1C)C1CC1 ZINC000511272769 564365040 /nfs/dbraw/zinc/36/50/40/564365040.db2.gz QZJFJWAQSUPQSF-OAHLLOKOSA-N 1 0 386.880 2.630 20 0 GFADRO COc1ccc(Cl)c(S(=O)(=O)N2C[C@@H](SC)[C@@H]([NH+]3CCCC3)C2)c1 ZINC000477136648 564366127 /nfs/dbraw/zinc/36/61/27/564366127.db2.gz LXRCHNPKDNSLOM-LSDHHAIUSA-N 1 0 390.958 2.549 20 0 GFADRO CS[C@H]1CN(S(=O)(=O)c2ccc(F)cc2Cl)C[C@H]1[NH+]1CCCC1 ZINC000477129168 564366409 /nfs/dbraw/zinc/36/64/09/564366409.db2.gz URMIVCRRLIBPBO-KGLIPLIRSA-N 1 0 378.922 2.679 20 0 GFADRO O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)N1CCO[C@]2(CCSC2)C1 ZINC000567380544 564369137 /nfs/dbraw/zinc/36/91/37/564369137.db2.gz DAEWPFZNPIJPMB-MAUKXSAKSA-N 1 0 381.567 2.803 20 0 GFADRO COC[C@]1(CO)CC[N@H+](CC(=O)N[C@H](C)c2ccc(Cl)cc2Cl)C1 ZINC000451933160 564369299 /nfs/dbraw/zinc/36/92/99/564369299.db2.gz UILNDGPRMJEUAY-SJKOYZFVSA-N 1 0 375.296 2.501 20 0 GFADRO [NH3+]CCc1ccccc1C(=O)N[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000567401246 564369759 /nfs/dbraw/zinc/36/97/59/564369759.db2.gz WQSBXKYQUFRHTM-INIZCTEOSA-N 1 0 388.309 2.959 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1cc(Cl)cc(C(F)(F)F)c1)C1CC1 ZINC000477327389 564373026 /nfs/dbraw/zinc/37/30/26/564373026.db2.gz WJNPWMCRGSDNBR-ZDUSSCGKSA-N 1 0 377.794 2.754 20 0 GFADRO CCS(=O)(=O)NCCC[NH2+][C@H](c1cccc(OC(F)(F)F)c1)C1CC1 ZINC000511579778 564376210 /nfs/dbraw/zinc/37/62/10/564376210.db2.gz VXUFKFMIILPIID-HNNXBMFYSA-N 1 0 380.432 2.955 20 0 GFADRO CN(C)S(=O)(=O)CCC[NH2+][C@@H](c1cccc(OC(F)(F)F)c1)C1CC1 ZINC000511582960 564376701 /nfs/dbraw/zinc/37/67/01/564376701.db2.gz BMKLFRVQHOORNG-OAHLLOKOSA-N 1 0 380.432 2.907 20 0 GFADRO CN(C(=O)C[NH2+][C@@](C)(CO)c1ccc(Br)cc1)c1ccccc1 ZINC000511606430 564377332 /nfs/dbraw/zinc/37/73/32/564377332.db2.gz NBYNQINHKYKQBK-SFHVURJKSA-N 1 0 377.282 2.909 20 0 GFADRO COc1ccccc1NC(=O)C[NH2+][C@](C)(CO)c1ccc(Br)cc1 ZINC000511622454 564377364 /nfs/dbraw/zinc/37/73/64/564377364.db2.gz KWJVZKTZKALJCX-GOSISDBHSA-N 1 0 393.281 2.894 20 0 GFADRO CC[NH+]1CCC(CCNS(=O)(=O)c2cccc(Br)c2F)CC1 ZINC000544184828 564378510 /nfs/dbraw/zinc/37/85/10/564378510.db2.gz LWTQIBGAYGKOQZ-UHFFFAOYSA-N 1 0 393.322 2.989 20 0 GFADRO Cc1ccc(CCC(=O)NC2(CCO)CC[NH+](C)CC2)c(Br)c1 ZINC000477495184 564378543 /nfs/dbraw/zinc/37/85/43/564378543.db2.gz UJSSMQVASSHGGU-UHFFFAOYSA-N 1 0 383.330 2.653 20 0 GFADRO O=C(CC[N@@H+]1CC[C@H](C(F)(F)F)[C@@H](CO)C1)N1CCc2sccc2C1 ZINC000511632943 564378868 /nfs/dbraw/zinc/37/88/68/564378868.db2.gz YNHXCENKFIYLRD-KGLIPLIRSA-N 1 0 376.444 2.516 20 0 GFADRO C[C@H](C(=O)NCc1cn2cc(Br)ccc2n1)[NH+]1[C@H](C)CC[C@H]1C ZINC000511657785 564378895 /nfs/dbraw/zinc/37/88/95/564378895.db2.gz YHJOCHBITSRSRK-JHJVBQTASA-N 1 0 379.302 2.974 20 0 GFADRO CSC[C@@H](O)C[NH2+][C@H](C)CCc1ccc(I)cc1 ZINC000567605904 564379753 /nfs/dbraw/zinc/37/97/53/564379753.db2.gz KEKSAIUKOJVDTR-RISCZKNCSA-N 1 0 379.307 2.926 20 0 GFADRO CCC[N@H+](C)CC(=O)N[C@@H](CC(=O)OCC)c1cccc(Br)c1 ZINC000544249296 564380254 /nfs/dbraw/zinc/38/02/54/564380254.db2.gz HTLVLSYYDLABDQ-HNNXBMFYSA-N 1 0 385.302 2.901 20 0 GFADRO CCO[C@@H]1CCC[C@H]1[NH2+]CC(=O)Nc1ccccc1I ZINC000452009022 564381568 /nfs/dbraw/zinc/38/15/68/564381568.db2.gz BVDRYUJUOMTMGI-ZIAGYGMSSA-N 1 0 388.249 2.777 20 0 GFADRO CCO[C@@H]1CCC[C@H]1[NH2+]C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000452020172 564382936 /nfs/dbraw/zinc/38/29/36/564382936.db2.gz SVPFMNRDIRIUKK-NUEKZKHPSA-N 1 0 376.266 2.875 20 0 GFADRO CN(C)[C@@]1(C[NH2+]CCC(=O)Nc2ccc(Br)cc2)CCSC1 ZINC000567682892 564383509 /nfs/dbraw/zinc/38/35/09/564383509.db2.gz BAZGSJZENGAYLA-MRXNPFEDSA-N 1 0 386.359 2.805 20 0 GFADRO CN(C)[C@]1(C[NH2+]C[C@@H](O)COc2cc(Cl)ccc2Cl)CCSC1 ZINC000567683882 564383727 /nfs/dbraw/zinc/38/37/27/564383727.db2.gz ZRFXFDZQQZQNBL-CJNGLKHVSA-N 1 0 379.353 2.760 20 0 GFADRO COc1cccc([C@@H](CNc2cc(Br)cnc2C(N)=O)[NH+](C)C)c1 ZINC000544352707 564383967 /nfs/dbraw/zinc/38/39/67/564383967.db2.gz LVORYAIDQLOFMS-OAHLLOKOSA-N 1 0 393.285 2.666 20 0 GFADRO CSC[C@@H](O)C[NH2+]C1CCN(C(=O)c2ccccc2C(F)(F)F)CC1 ZINC000567710351 564384372 /nfs/dbraw/zinc/38/43/72/564384372.db2.gz JOIFJEDQJHQEMV-ZDUSSCGKSA-N 1 0 376.444 2.624 20 0 GFADRO C[C@@H]1COCC[C@H]1C[NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000567708509 564384424 /nfs/dbraw/zinc/38/44/24/564384424.db2.gz PYEAKRKTERDODO-TYNCELHUSA-N 1 0 376.266 2.590 20 0 GFADRO C[C@@H](O)C[N@@H+]1CCN(c2cc(C(F)(F)F)c(Br)cn2)C[C@@H]1C ZINC000567751998 564386981 /nfs/dbraw/zinc/38/69/81/564386981.db2.gz VJOHSTBHWSPAMI-VHSXEESVSA-N 1 0 382.224 2.754 20 0 GFADRO C[C@H](COCC(F)(F)F)NC(=O)c1ccc(C[NH+]2CCSCC2)cc1 ZINC000511976948 564388137 /nfs/dbraw/zinc/38/81/37/564388137.db2.gz KRZORJSBCRHFEL-CYBMUJFWSA-N 1 0 376.444 2.933 20 0 GFADRO Cc1sc2nc(C)nc(SCC(=O)N3CC[C@@H]4[NH2+]CC[C@H]4C3)c2c1C ZINC000567814001 564390137 /nfs/dbraw/zinc/39/01/37/564390137.db2.gz VYXAZCFOURASDM-KBPBESRZSA-N 1 0 376.551 2.919 20 0 GFADRO Cc1sc2nc(C)nc(SCC(=O)N3CC[C@@H]4[NH2+]CC[C@@H]4C3)c2c1C ZINC000567814002 564390257 /nfs/dbraw/zinc/39/02/57/564390257.db2.gz VYXAZCFOURASDM-KGLIPLIRSA-N 1 0 376.551 2.919 20 0 GFADRO CCO[C@@H]1C[C@@]([NH3+])(C(=O)N2CCOc3ccc(Br)cc3C2)C1(C)C ZINC000567823232 564390762 /nfs/dbraw/zinc/39/07/62/564390762.db2.gz OQOOVJZIWBRNML-CRAIPNDOSA-N 1 0 397.313 2.703 20 0 GFADRO C[C@H]1C[N@H+](C)[C@@H](C)CN1C(=O)CCNC(=O)Nc1ccc(Br)cc1 ZINC000512112657 564392865 /nfs/dbraw/zinc/39/28/65/564392865.db2.gz AGTZQTORFKVLIU-STQMWFEESA-N 1 0 397.317 2.512 20 0 GFADRO OCc1ccccc1C[NH2+]C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000567875580 564393789 /nfs/dbraw/zinc/39/37/89/564393789.db2.gz HQQAAIKMSPSMAI-INIZCTEOSA-N 1 0 384.245 2.610 20 0 GFADRO CC(C)C[C@H](CNC(=O)C(C)(C)S(=O)(=O)c1ccc(Cl)cc1)[NH+](C)C ZINC000512156342 564393804 /nfs/dbraw/zinc/39/38/04/564393804.db2.gz YZUFRQXXRAEHBO-OAHLLOKOSA-N 1 0 388.961 2.985 20 0 GFADRO O=S(=O)(c1cc(Br)sc1Cl)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000567868347 564394069 /nfs/dbraw/zinc/39/40/69/564394069.db2.gz NIGGJXNNRFNIAR-LBPRGKRZSA-N 1 0 399.763 2.928 20 0 GFADRO CCCOc1c(Br)cc(CN2CCO[C@H](C[NH3+])C2)cc1OCC ZINC000478063811 564394172 /nfs/dbraw/zinc/39/41/72/564394172.db2.gz UFAGZWNKAMFCPF-CQSZACIVSA-N 1 0 387.318 2.796 20 0 GFADRO CNC(=O)[C@H](C)C[N@H+](C)[C@H](C)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000478051184 564394327 /nfs/dbraw/zinc/39/43/27/564394327.db2.gz AHXHNBRTBNPMBV-NXEZZACHSA-N 1 0 379.810 3.000 20 0 GFADRO C[C@@H]1CSC[C@H]1[NH2+]CC(=O)Nc1ccccc1I ZINC000512168851 564395143 /nfs/dbraw/zinc/39/51/43/564395143.db2.gz VOPULXQBESDUHB-BXKDBHETSA-N 1 0 376.263 2.571 20 0 GFADRO C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)CNC(=O)c1sc2ccccc2c1Cl ZINC000567912480 564395588 /nfs/dbraw/zinc/39/55/88/564395588.db2.gz PQDRTEUMTBODNO-GLKRBJQHSA-N 1 0 379.913 2.787 20 0 GFADRO CC(C)(C)NC(=O)NC(=O)C[NH2+][C@H](CCO)c1ccc(Cl)c(Cl)c1 ZINC000512215789 564395893 /nfs/dbraw/zinc/39/58/93/564395893.db2.gz XQULZOUHDFGAFQ-CYBMUJFWSA-N 1 0 376.284 2.631 20 0 GFADRO C[C@H]1CN(C(=O)c2cccc(I)c2)CC[N@@H+](C2CC2)C1 ZINC000452170050 564397690 /nfs/dbraw/zinc/39/76/90/564397690.db2.gz JTUHUMSZJPQPDB-GFCCVEGCSA-N 1 0 384.261 2.848 20 0 GFADRO CN1C(=O)C[C@@H](C(=O)NCC(C)(C)[NH+](C)C)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000478263068 564398593 /nfs/dbraw/zinc/39/85/93/564398593.db2.gz RXOKAXNNFWRDSA-WBMJQRKESA-N 1 0 386.323 2.969 20 0 GFADRO CCC[N@H+](C)CC(=O)N[C@@H](CO)c1ccc(Br)cc1C(F)(F)F ZINC000478432107 564402633 /nfs/dbraw/zinc/40/26/33/564402633.db2.gz PDOACBAWHHQBBO-ZDUSSCGKSA-N 1 0 397.235 2.959 20 0 GFADRO CS[C@H]1CN(C(=O)COc2ccc(Cl)c3cccnc23)C[C@@H]1[NH+](C)C ZINC000478490223 564405034 /nfs/dbraw/zinc/40/50/34/564405034.db2.gz XIYNGENSORFSCM-HOCLYGCPSA-N 1 0 379.913 2.771 20 0 GFADRO CCCc1csc(C[NH2+]C[C@H]2CCN(S(=O)(=O)c3cccs3)C2)n1 ZINC000512575546 564405711 /nfs/dbraw/zinc/40/57/11/564405711.db2.gz YYZFLMRMFISUQT-CYBMUJFWSA-N 1 0 385.580 2.958 20 0 GFADRO COCc1ccc(C[NH2+]C[C@@H]2CCN(S(=O)(=O)c3cccs3)C2)cc1 ZINC000512560486 564406046 /nfs/dbraw/zinc/40/60/46/564406046.db2.gz FEOBHESSOHKLFH-KRWDZBQOSA-N 1 0 380.535 2.695 20 0 GFADRO C[C@H](Cc1ccc(Br)cc1)C(=O)NC[C@@H]1CCC[N@@H+]1CCCO ZINC000452349825 564406919 /nfs/dbraw/zinc/40/69/19/564406919.db2.gz CBVOTEHQICAXLF-PBHICJAKSA-N 1 0 383.330 2.591 20 0 GFADRO COCCN(Cc1sccc1Br)C(=O)NCC[N@H+](C)C1CC1 ZINC000478635628 564410157 /nfs/dbraw/zinc/41/01/57/564410157.db2.gz SAEHVDYNCGTVMW-UHFFFAOYSA-N 1 0 390.347 2.763 20 0 GFADRO Cn1cc([C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3cccc(Cl)c3Cl)C[C@H]2[NH3+])cn1 ZINC000568253917 564410977 /nfs/dbraw/zinc/41/09/77/564410977.db2.gz NOGNWGMXZVLSIL-KNCOVGOOSA-N 1 0 379.291 2.784 20 0 GFADRO CCn1ccnc1[C@H](C)[NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000568255510 564411280 /nfs/dbraw/zinc/41/12/80/564411280.db2.gz KJNBRGXQHUMBLM-SMDDNHRTSA-N 1 0 386.265 2.895 20 0 GFADRO CC[C@H](Cc1ccccc1Br)C(=O)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000452380744 564411822 /nfs/dbraw/zinc/41/18/22/564411822.db2.gz HJALBKCEZXPZFK-WBVHZDCISA-N 1 0 397.357 2.981 20 0 GFADRO O[C@@H](C[NH2+][C@@H]1CCCC[C@H]1O)COc1ccc(Cl)cc1Br ZINC000568268854 564412338 /nfs/dbraw/zinc/41/23/38/564412338.db2.gz MAGCGLJHXBQNCE-IACUBPJLSA-N 1 0 378.694 2.735 20 0 GFADRO C[C@H](Oc1cccc(Cl)c1Cl)C(=O)NC[C@@H]1CCCC[N@@H+]1CCO ZINC000452389831 564412375 /nfs/dbraw/zinc/41/23/75/564412375.db2.gz MWXKOMWAKKFCPP-STQMWFEESA-N 1 0 375.296 2.724 20 0 GFADRO CC[C@@H](Cc1cccc(Br)c1)C(=O)NC[C@H]1CCCC[N@@H+]1CCO ZINC000452389861 564412762 /nfs/dbraw/zinc/41/27/62/564412762.db2.gz NAIOODYZSGLBQM-FUHWJXTLSA-N 1 0 397.357 2.981 20 0 GFADRO CC(C)C[C@H](Cc1cccc(Br)c1)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000478710347 564412894 /nfs/dbraw/zinc/41/28/94/564412894.db2.gz POKATVFBWWTHMJ-WBVHZDCISA-N 1 0 383.330 2.840 20 0 GFADRO [NH3+]Cc1cn([C@@H]2CCCN(C(=O)NCc3cccc(Cl)c3Cl)C2)nn1 ZINC000568287242 564412993 /nfs/dbraw/zinc/41/29/93/564412993.db2.gz XTBIMXXQADQSTR-CYBMUJFWSA-N 1 0 383.283 2.590 20 0 GFADRO C[C@@]1(CNC(=O)Nc2ccc(I)cc2F)CCC[NH2+]C1 ZINC000568282057 564413326 /nfs/dbraw/zinc/41/33/26/564413326.db2.gz LZFADRZFHBJBAD-CQSZACIVSA-N 1 0 391.228 2.942 20 0 GFADRO CC(C)[C@H]1CN(Cc2cn(-c3ccccc3Br)nn2)CC[N@@H+]1C ZINC000568338149 564414574 /nfs/dbraw/zinc/41/45/74/564414574.db2.gz TWEASUFQULROPK-QGZVFWFLSA-N 1 0 378.318 2.802 20 0 GFADRO COCCN(Cc1sccc1Br)C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000478798806 564415222 /nfs/dbraw/zinc/41/52/22/564415222.db2.gz UJSYCBRDDVCOTE-LBPRGKRZSA-N 1 0 390.347 2.763 20 0 GFADRO C[C@@H](C[NH2+]C[C@@H]1CCCCN1S(C)(=O)=O)c1cccc(Br)c1 ZINC000512983187 564416773 /nfs/dbraw/zinc/41/67/73/564416773.db2.gz NIDCZQXONABHAX-BBRMVZONSA-N 1 0 389.359 2.956 20 0 GFADRO COc1ccc(Br)c(C[NH2+]C[C@H](N2CCOCC2)C(F)(F)F)c1 ZINC000512982989 564417155 /nfs/dbraw/zinc/41/71/55/564417155.db2.gz KCAMLNAUJQOWFT-AWEZNQCLSA-N 1 0 397.235 2.810 20 0 GFADRO OC[C@H]([NH2+]Cc1ncc(-c2cccc(Br)c2)o1)C1CCOCC1 ZINC000568495471 564421331 /nfs/dbraw/zinc/42/13/31/564421331.db2.gz VQLMTWNFYAUAQV-HNNXBMFYSA-N 1 0 381.270 2.981 20 0 GFADRO CCOc1ccc(Br)cc1CN(C(=O)CCOC1C[NH2+]C1)C1CC1 ZINC000568499994 564421401 /nfs/dbraw/zinc/42/14/01/564421401.db2.gz LUMWOLBVJONWPY-UHFFFAOYSA-N 1 0 397.313 2.717 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)C(=O)N1CCC[N@@H+](C(C)C)CC1 ZINC000478992270 564421465 /nfs/dbraw/zinc/42/14/65/564421465.db2.gz OSKPRENLSIKZLW-UHFFFAOYSA-N 1 0 396.329 2.893 20 0 GFADRO C[NH+](C)C1CCN(CCNC(=O)[C@@H]2CCc3cc(Br)ccc32)CC1 ZINC000568513746 564421851 /nfs/dbraw/zinc/42/18/51/564421851.db2.gz LTILDZMYNXJVCO-GOSISDBHSA-N 1 0 394.357 2.621 20 0 GFADRO COC(=O)C[C@@](C)([NH2+]CCN1CCO[C@H](C)C1)c1ccc(Br)cc1 ZINC000513139454 564422009 /nfs/dbraw/zinc/42/20/09/564422009.db2.gz RJEBUKWTBPOZFW-RDTXWAMCSA-N 1 0 399.329 2.538 20 0 GFADRO COC(=O)C[C@@](C)([NH2+]C[C@@H](O)COC(C)C)c1ccc(Br)cc1 ZINC000513145689 564422070 /nfs/dbraw/zinc/42/20/70/564422070.db2.gz WWYRBUCCLJUSHQ-NVXWUHKLSA-N 1 0 388.302 2.603 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ccc(Cl)cc2Br)CC[N@@H+]1C ZINC000479035687 564423173 /nfs/dbraw/zinc/42/31/73/564423173.db2.gz SIFGBRQLVSZIAP-KOLCDFICSA-N 1 0 388.693 2.640 20 0 GFADRO CO[C@H](C)C[N@H+](C)[C@@H](C)C(=O)Nc1cccc(I)c1 ZINC000513247044 564425908 /nfs/dbraw/zinc/42/59/08/564425908.db2.gz IQOHPJJZWHTMFL-MNOVXSKESA-N 1 0 376.238 2.585 20 0 GFADRO CN(C(=O)NCc1cc(Br)cc2c1OCC2)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000568609051 564426797 /nfs/dbraw/zinc/42/67/97/564426797.db2.gz PETAAZOLNRNJIO-XYPWUTKMSA-N 1 0 394.313 2.808 20 0 GFADRO O=C(CC(F)(F)F)N1CCC([NH2+]C[C@@H](O)Cc2cccc(Cl)c2)CC1 ZINC000568621477 564427206 /nfs/dbraw/zinc/42/72/06/564427206.db2.gz OXBPBWNZFHTFFW-HNNXBMFYSA-N 1 0 378.822 2.776 20 0 GFADRO COC(=O)c1cn([C@@H]2CC[N@H+](Cc3cnc(-c4ccsc4)s3)C2)nn1 ZINC000545557745 564428289 /nfs/dbraw/zinc/42/82/89/564428289.db2.gz ITPHBNFFGQFPOA-GFCCVEGCSA-N 1 0 375.479 2.697 20 0 GFADRO CS(=O)(=O)NC[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(Sc2ccccn2)o1 ZINC000513526761 564431426 /nfs/dbraw/zinc/43/14/26/564431426.db2.gz VZSWPTCRNYGTBN-HIFRSBDPSA-N 1 0 381.523 2.633 20 0 GFADRO CC(=O)N1CCC[N@H+](C[C@@H]2CCCN(C(=O)c3ccc(Cl)s3)C2)CC1 ZINC000452808706 564432571 /nfs/dbraw/zinc/43/25/71/564432571.db2.gz DLJBCSFWCNDGPI-HNNXBMFYSA-N 1 0 383.945 2.808 20 0 GFADRO CC(=O)N1CCC[N@H+](C[C@@H]2CCCN(C(=O)c3sccc3Cl)C2)CC1 ZINC000452829766 564433381 /nfs/dbraw/zinc/43/33/81/564433381.db2.gz YUMNQUZXKBFUNU-HNNXBMFYSA-N 1 0 383.945 2.808 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)C(=O)NCCCn2cc(Br)cn2)C[C@H]1C ZINC000513603194 564434106 /nfs/dbraw/zinc/43/41/06/564434106.db2.gz NCVIMZJEUDKFNK-HIFRSBDPSA-N 1 0 386.338 2.550 20 0 GFADRO C[C@H](Cc1ccc(Br)cc1)[NH2+]CCCN1CCC[C@@H]1C(=O)N(C)C ZINC000479288623 564434559 /nfs/dbraw/zinc/43/45/59/564434559.db2.gz UJGFGBKHBFLPHQ-CRAIPNDOSA-N 1 0 396.373 2.912 20 0 GFADRO CNS(=O)(=O)CC[NH2+][C@@H](C)c1ccc(Br)cc1C(F)(F)F ZINC000479294780 564435264 /nfs/dbraw/zinc/43/52/64/564435264.db2.gz IJEQSSDCRJLJBY-QMMMGPOBSA-N 1 0 389.237 2.668 20 0 GFADRO Cc1cccc(I)c1C(=O)NCC[N@H+]1CC=C(C)CC1 ZINC000545881536 564435810 /nfs/dbraw/zinc/43/58/10/564435810.db2.gz IFXGTDWWHIYXPM-UHFFFAOYSA-N 1 0 384.261 2.981 20 0 GFADRO CC(=O)NCC[C@@H]1CCC[N@H+](Cc2cn3ccc(Br)cc3n2)C1 ZINC000568819702 564436262 /nfs/dbraw/zinc/43/62/62/564436262.db2.gz YIKPEUBZGYSOKI-AWEZNQCLSA-N 1 0 379.302 2.835 20 0 GFADRO C[C@@H]1CCc2ccc(Br)cc2[C@H]([NH2+]CCCNS(C)(=O)=O)C1 ZINC000479357108 564437184 /nfs/dbraw/zinc/43/71/84/564437184.db2.gz HRCUOTCTGCRUFB-MLGOLLRUSA-N 1 0 389.359 2.992 20 0 GFADRO O=C(CCC[N@@H+]1CCC[C@H](N2CCNC2=O)C1)c1ccc(Br)cc1 ZINC000568832818 564437200 /nfs/dbraw/zinc/43/72/00/564437200.db2.gz ADTXVZARKDQRLG-INIZCTEOSA-N 1 0 394.313 2.902 20 0 GFADRO C[NH+]1CCN(CCNC(=O)CCCC(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000513803673 564439128 /nfs/dbraw/zinc/43/91/28/564439128.db2.gz KNUNSZXRVIETCQ-UHFFFAOYSA-N 1 0 386.323 2.710 20 0 GFADRO CC(C)NS(=O)(=O)CC[NH2+][C@@H](c1ccc(Br)cc1F)C1CC1 ZINC000479409614 564439257 /nfs/dbraw/zinc/43/92/57/564439257.db2.gz FWLAOIZOLPBXGC-OAHLLOKOSA-N 1 0 393.322 2.957 20 0 GFADRO Cc1cc(I)cc(C(=O)N2C[C@H]3CC[N@@H+](C)[C@H]3C2)c1C ZINC000452967324 564439499 /nfs/dbraw/zinc/43/94/99/564439499.db2.gz AAUDTSKKGUVEGW-DOMZBBRYSA-N 1 0 384.261 2.684 20 0 GFADRO CS(=O)(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3ccc(Br)cc3)o2)C1 ZINC000568889472 564439809 /nfs/dbraw/zinc/43/98/09/564439809.db2.gz KMDNDGGATQCGGN-CQSZACIVSA-N 1 0 399.310 2.833 20 0 GFADRO Cc1nc(SCCC(=O)NC[C@@H](C[NH+](C)C)c2ccc(Cl)cc2)n[nH]1 ZINC000568889956 564439834 /nfs/dbraw/zinc/43/98/34/564439834.db2.gz PNDJHZUDGJJHET-AWEZNQCLSA-N 1 0 381.933 2.710 20 0 GFADRO C[C@H]1CCc2ccc(Br)cc2[C@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC000479453841 564440665 /nfs/dbraw/zinc/44/06/65/564440665.db2.gz NLLZWMKBXLEUGK-XHDPSFHLSA-N 1 0 380.286 2.604 20 0 GFADRO C[NH+](C)CC1(CNS(=O)(=O)c2ccc(OCC(F)F)cc2)CCCC1 ZINC000546071785 564442870 /nfs/dbraw/zinc/44/28/70/564442870.db2.gz CUJOIPVCJIHJKA-UHFFFAOYSA-N 1 0 376.469 2.731 20 0 GFADRO CC(=O)N[C@@H](CC(=O)N1CCC(CC[NH3+])CC1)c1ccc(Br)cc1 ZINC000569014269 564445324 /nfs/dbraw/zinc/44/53/24/564445324.db2.gz LCYLMZHSLMXGSZ-KRWDZBQOSA-N 1 0 396.329 2.604 20 0 GFADRO C[C@@H](Cc1cnccn1)[NH2+]CCC(=O)N(C)Cc1ccccc1Br ZINC000453117092 564446634 /nfs/dbraw/zinc/44/66/34/564446634.db2.gz UPJUVPPJLXJBRB-AWEZNQCLSA-N 1 0 391.313 2.808 20 0 GFADRO COCC(=O)N1CCC([NH2+][C@H](Cc2ccccc2Br)C2CC2)CC1 ZINC000453119551 564446938 /nfs/dbraw/zinc/44/69/38/564446938.db2.gz LVVOQYSKSLVZAK-GOSISDBHSA-N 1 0 395.341 2.997 20 0 GFADRO COc1cc(Br)cc(S(=O)(=O)NCC[N@@H+]2CCCC[C@H]2C)c1 ZINC000546177410 564448553 /nfs/dbraw/zinc/44/85/53/564448553.db2.gz OLTBKZGXZRMMOB-GFCCVEGCSA-N 1 0 391.331 2.610 20 0 GFADRO CC(C)[N@@H+]1CCCN(C(=O)c2ccc(I)c(O)c2)CC1 ZINC000546192278 564448692 /nfs/dbraw/zinc/44/86/92/564448692.db2.gz VITAVSNWKAJPSI-UHFFFAOYSA-N 1 0 388.249 2.553 20 0 GFADRO CC[C@@H]([NH2+][C@H](C)C(=O)Nc1cccc(S(=O)(=O)NC)c1)c1ccsc1 ZINC000453157731 564448808 /nfs/dbraw/zinc/44/88/08/564448808.db2.gz JCGKXCRSVAOXBI-MLGOLLRUSA-N 1 0 381.523 2.724 20 0 GFADRO COC1([C@H](C)[NH2+]CCCS(=O)(=O)c2ccc(Cl)cc2)CCOCC1 ZINC000453232772 564450193 /nfs/dbraw/zinc/45/01/93/564450193.db2.gz UWRGMCIDRGSLCJ-AWEZNQCLSA-N 1 0 375.918 2.678 20 0 GFADRO COc1cc(F)c(Br)cc1S(=O)(=O)N[C@@H](C)C[N@H+](C)C(C)C ZINC000569139737 564450939 /nfs/dbraw/zinc/45/09/39/564450939.db2.gz SQJUFBZZQSZMCH-JTQLQIEISA-N 1 0 397.310 2.604 20 0 GFADRO C[C@@H]([NH2+]CCn1cc(Br)ccc1=O)c1ccc([S@](C)=O)cc1 ZINC000453252881 564451249 /nfs/dbraw/zinc/45/12/49/564451249.db2.gz OOHJWVGKUJJEOG-IPQOISQHSA-N 1 0 383.311 2.699 20 0 GFADRO CCS(=O)(=O)N1CCC(C[NH2+]Cc2cc(F)cc(Br)c2)CC1 ZINC000514652689 564452689 /nfs/dbraw/zinc/45/26/89/564452689.db2.gz QLMUOHGTQFPZDC-UHFFFAOYSA-N 1 0 393.322 2.740 20 0 GFADRO CO[C@H]1CCN(C(=O)CCSc2ccccc2Br)[C@@H](C[NH3+])C1 ZINC000569213149 564453431 /nfs/dbraw/zinc/45/34/31/564453431.db2.gz WLVFWSHTYSAWME-OLZOCXBDSA-N 1 0 387.343 2.896 20 0 GFADRO CO[C@@H]1CCN(C(=O)CCSc2ccccc2Br)[C@H](C[NH3+])C1 ZINC000569213150 564453853 /nfs/dbraw/zinc/45/38/53/564453853.db2.gz WLVFWSHTYSAWME-QWHCGFSZSA-N 1 0 387.343 2.896 20 0 GFADRO C[NH+]1CCC(O)(CNC(=O)C(C)(C)COc2cc(Cl)cc(Cl)c2)CC1 ZINC000479905729 564454459 /nfs/dbraw/zinc/45/44/59/564454459.db2.gz XNYQYOUMBCCLTD-UHFFFAOYSA-N 1 0 389.323 2.971 20 0 GFADRO O=C(NC[C@H]1C[NH2+]CCCO1)C1(c2cccc(Br)c2)CCCC1 ZINC000569314663 564458380 /nfs/dbraw/zinc/45/83/80/564458380.db2.gz VSDQVJVTOWTYRY-MRXNPFEDSA-N 1 0 381.314 2.756 20 0 GFADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)C(C)(C)COc1cc(Cl)cc(Cl)c1 ZINC000480087710 564459433 /nfs/dbraw/zinc/45/94/33/564459433.db2.gz IHOBYLAGOCBDSG-OAHLLOKOSA-N 1 0 388.339 2.760 20 0 GFADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(C)(C)COc1cc(Cl)cc(Cl)c1 ZINC000480087708 564459608 /nfs/dbraw/zinc/45/96/08/564459608.db2.gz IHOBYLAGOCBDSG-HNNXBMFYSA-N 1 0 388.339 2.760 20 0 GFADRO [NH3+]CCC1CCN(C(=O)Cc2csc(NC(=O)c3cccs3)n2)CC1 ZINC000569349642 564459873 /nfs/dbraw/zinc/45/98/73/564459873.db2.gz BMELLWREHQDULV-UHFFFAOYSA-N 1 0 378.523 2.587 20 0 GFADRO CSC1(C[NH2+]C[C@H](O)COc2cccc(Br)c2)CCOCC1 ZINC000569352656 564460388 /nfs/dbraw/zinc/46/03/88/564460388.db2.gz YVDNTQMCLISBJI-AWEZNQCLSA-N 1 0 390.343 2.691 20 0 GFADRO NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)c1cc2c(cc(Cl)cc2Cl)[nH]1 ZINC000480162937 564461432 /nfs/dbraw/zinc/46/14/32/564461432.db2.gz CZNQDVZLAVHROP-OAHLLOKOSA-N 1 0 383.279 2.544 20 0 GFADRO C[C@H]1[C@@H](NC(=O)C(=O)Nc2cc(Cl)cc(Br)c2)CCC[N@@H+]1C ZINC000453702588 564467317 /nfs/dbraw/zinc/46/73/17/564467317.db2.gz QCRLLNRXNSIRKY-ZANVPECISA-N 1 0 388.693 2.640 20 0 GFADRO C[C@H](Oc1cccc(Br)c1)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000480290276 564467908 /nfs/dbraw/zinc/46/79/08/564467908.db2.gz XMNOIFKRPIDGTD-BLLLJJGKSA-N 1 0 387.343 2.770 20 0 GFADRO O=C(NC[C@@H]1C[NH2+]CCCO1)N1CCc2sccc2[C@H]1c1cccs1 ZINC000569579181 564469700 /nfs/dbraw/zinc/46/97/00/564469700.db2.gz WDQHTECTSDFFNC-GUYCJALGSA-N 1 0 377.535 2.845 20 0 GFADRO CSC1(CNS(=O)(=O)Cc2ccccc2C(F)(F)F)CC[NH+](C)CC1 ZINC000515095983 564469988 /nfs/dbraw/zinc/46/99/88/564469988.db2.gz RVLZVAVVGJCNTO-UHFFFAOYSA-N 1 0 396.500 2.952 20 0 GFADRO [NH3+][C@H]1CCC[C@@H](CNC(=O)C2CCN(C(=O)c3ccc(Cl)s3)CC2)C1 ZINC000569595073 564470587 /nfs/dbraw/zinc/47/05/87/564470587.db2.gz IXJLUEOSANVTBK-OCCSQVGLSA-N 1 0 383.945 2.887 20 0 GFADRO CN(C)CC[N@H+](C)CCCN(C)C(=O)c1cc(F)c(F)cc1Br ZINC000515169714 564471488 /nfs/dbraw/zinc/47/14/88/564471488.db2.gz SUCXKYGMXMQALX-UHFFFAOYSA-N 1 0 392.288 2.683 20 0 GFADRO CC[NH2+]CCCNC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1Br ZINC000515218257 564472176 /nfs/dbraw/zinc/47/21/76/564472176.db2.gz NRONEZBMPKHKAE-UHFFFAOYSA-N 1 0 396.207 2.522 20 0 GFADRO CN(CC[NH2+]CCc1ccc(F)cc1Cl)S(=O)(=O)c1cccs1 ZINC000569654507 564472418 /nfs/dbraw/zinc/47/24/18/564472418.db2.gz DVGQTXDLCDPECX-UHFFFAOYSA-N 1 0 376.906 2.993 20 0 GFADRO C[C@@H]1CN(C(=O)c2nn(-c3cccc(Br)c3)c3c2CCC3)C[C@H]1[NH3+] ZINC000515233483 564473204 /nfs/dbraw/zinc/47/32/04/564473204.db2.gz MBNITDBVFCVHAY-IAQYHMDHSA-N 1 0 389.297 2.543 20 0 GFADRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)c1cnc(Sc2nccn2C)c(Cl)c1 ZINC000515231587 564473374 /nfs/dbraw/zinc/47/33/74/564473374.db2.gz GZLUAHHHYXFAKA-ZDUSSCGKSA-N 1 0 379.917 2.786 20 0 GFADRO CC[NH+]1CCC(n2nccc2NC(=O)c2cc[nH]c(=O)c2Br)CC1 ZINC000569660342 564473460 /nfs/dbraw/zinc/47/34/60/564473460.db2.gz VJGMMKWUDVKGAZ-UHFFFAOYSA-N 1 0 394.273 2.655 20 0 GFADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CCC[C@@H]1c1ccsc1 ZINC000480445277 564474442 /nfs/dbraw/zinc/47/44/42/564474442.db2.gz OVGXMPACYMYNGD-MRXNPFEDSA-N 1 0 382.555 2.649 20 0 GFADRO Cc1c(Br)c2ccccc2n1CC(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000569703346 564475086 /nfs/dbraw/zinc/47/50/86/564475086.db2.gz WNZYDLBOKPIKKU-HIFRSBDPSA-N 1 0 376.298 2.923 20 0 GFADRO CN(C)CC[N@H+](C)CCCNS(=O)(=O)c1csc2ccc(Cl)cc21 ZINC000515326872 564475574 /nfs/dbraw/zinc/47/55/74/564475574.db2.gz SJZRWILHWKHGMG-UHFFFAOYSA-N 1 0 389.974 2.717 20 0 GFADRO CC1(C)CCC[NH2+][C@H]1CNC(=O)N1CCC(n2cc(Br)cn2)CC1 ZINC000515342120 564475954 /nfs/dbraw/zinc/47/59/54/564475954.db2.gz WLJCWVCPSXCWJL-HNNXBMFYSA-N 1 0 398.349 2.770 20 0 GFADRO C[N@@H+]1CCCC12CCN(C(=O)CNC(=O)c1ccc(Cl)cc1Cl)CC2 ZINC000546975136 564476322 /nfs/dbraw/zinc/47/63/22/564476322.db2.gz OOSJETHZNOPNST-UHFFFAOYSA-N 1 0 384.307 2.810 20 0 GFADRO CC[NH+]1CCC(CNC(=O)c2cc(Br)c3c(c2)OCCO3)CC1 ZINC000515358728 564476620 /nfs/dbraw/zinc/47/66/20/564476620.db2.gz ZKRQMDGEJWYFOJ-UHFFFAOYSA-N 1 0 383.286 2.682 20 0 GFADRO [NH3+]CC12CCC(CC1)CN2C(=O)c1cc(F)ccc1I ZINC000569820901 564479262 /nfs/dbraw/zinc/47/92/62/564479262.db2.gz ZIKZVCWOYIYEEC-UHFFFAOYSA-N 1 0 388.224 2.774 20 0 GFADRO C[C@@H](NC(=O)c1cc[nH]c(=O)c1Br)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000515450995 564479505 /nfs/dbraw/zinc/47/95/05/564479505.db2.gz GIUCZUOOQCUCDE-VXGBXAGGSA-N 1 0 382.302 2.933 20 0 GFADRO CC(=O)N1CCN(CC[NH2+][C@H](C)c2csc(-c3csc(C)n3)c2)CC1 ZINC000480629614 564479698 /nfs/dbraw/zinc/47/96/98/564479698.db2.gz GTBSEUJFCZZMOV-CYBMUJFWSA-N 1 0 378.567 2.995 20 0 GFADRO CS(=O)(=O)c1ccc(C[NH2+][C@H]2CCN(C(=O)Nc3ccccc3)C2)s1 ZINC000569908891 564483040 /nfs/dbraw/zinc/48/30/40/564483040.db2.gz GANSPPAESOSLDK-AWEZNQCLSA-N 1 0 379.507 2.548 20 0 GFADRO C[C@H](CC(=O)NC[C@@]1(O)C[NH+]2CCC1CC2)c1ccc(F)c(Br)c1 ZINC000569942041 564484574 /nfs/dbraw/zinc/48/45/74/564484574.db2.gz YCFKENLWQTZXFQ-KZULUSFZSA-N 1 0 399.304 2.655 20 0 GFADRO Cc1c(Br)ccnc1NC(=O)NC(C)(C)CC[NH+]1CCN(C)CC1 ZINC000569945862 564484633 /nfs/dbraw/zinc/48/46/33/564484633.db2.gz RRZJWUWJAIVWTC-UHFFFAOYSA-N 1 0 398.349 2.690 20 0 GFADRO COC(C)(C)CS(=O)(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000569969482 564486066 /nfs/dbraw/zinc/48/60/66/564486066.db2.gz BCGRZBZDABTGJC-UHFFFAOYSA-N 1 0 388.961 2.896 20 0 GFADRO [NH3+][C@H](CC(F)F)C(=O)NCc1ccc(I)c(Cl)c1 ZINC000569967855 564486137 /nfs/dbraw/zinc/48/61/37/564486137.db2.gz YOCABRUSTHIDLS-SECBINFHSA-N 1 0 388.583 2.543 20 0 GFADRO O=C(CNC(=O)CSc1ccccc1Cl)NCC[NH+]1CCCCCC1 ZINC000515818827 564487266 /nfs/dbraw/zinc/48/72/66/564487266.db2.gz GHBKRWIIUAQNRR-UHFFFAOYSA-N 1 0 383.945 2.541 20 0 GFADRO COc1ccc(S(=O)(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)c(Br)c1 ZINC000480760872 564487790 /nfs/dbraw/zinc/48/77/90/564487790.db2.gz BUEDNYLCRSPIEG-VXGBXAGGSA-N 1 0 391.331 2.609 20 0 GFADRO Cn1cc2c(n1)CCC[C@H]2[NH2+]C[C@H](O)COc1cccc(Br)c1 ZINC000570038582 564488230 /nfs/dbraw/zinc/48/82/30/564488230.db2.gz CAVQTSZPSPSXFL-XJKSGUPXSA-N 1 0 380.286 2.590 20 0 GFADRO CCC[C@@H]1C[NH2+]CCN1C(=O)c1cn(-c2ccc(Br)cc2)cn1 ZINC000515843293 564488830 /nfs/dbraw/zinc/48/88/30/564488830.db2.gz YOJABDBUXBYKGU-OAHLLOKOSA-N 1 0 377.286 2.849 20 0 GFADRO O=S(=O)(c1ccc(C(F)(F)F)cc1F)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000516063804 564492064 /nfs/dbraw/zinc/49/20/64/564492064.db2.gz ZSYGEVDKVHEGPP-NEPJUHHUSA-N 1 0 380.407 2.855 20 0 GFADRO CCN(CCC[NH2+][C@@H](COC)c1cccc(C(F)(F)F)c1)S(C)(=O)=O ZINC000480909985 564494922 /nfs/dbraw/zinc/49/49/22/564494922.db2.gz LUAPRMYNIKVIJR-HNNXBMFYSA-N 1 0 382.448 2.654 20 0 GFADRO COC[C@]1(CNC(=O)N2CC[C@@H](c3cccc(Br)c3)C2)CCC[NH2+]1 ZINC000570188349 564495304 /nfs/dbraw/zinc/49/53/04/564495304.db2.gz CYOAUVMPDOFTNY-CRAIPNDOSA-N 1 0 396.329 2.717 20 0 GFADRO Cc1c2cccc(Br)c2oc1C(=O)NC[C@]1(O)C[NH+]2CCC1CC2 ZINC000516193152 564495804 /nfs/dbraw/zinc/49/58/04/564495804.db2.gz OZJTYQSLPNMVBG-SFHVURJKSA-N 1 0 393.281 2.690 20 0 GFADRO CC1(C)CCC[N@@H+]1CCNC(=O)C(=O)Nc1ccc(F)c(Br)c1 ZINC000454076177 564496128 /nfs/dbraw/zinc/49/61/28/564496128.db2.gz ZOYVRPBZDBMBSM-UHFFFAOYSA-N 1 0 386.265 2.517 20 0 GFADRO Cc1ccccc1-n1cc(C[NH2+]CCCn2cc(Br)cn2)nn1 ZINC000570240791 564497199 /nfs/dbraw/zinc/49/71/99/564497199.db2.gz AAQBRRVROQPVOB-UHFFFAOYSA-N 1 0 375.274 2.715 20 0 GFADRO OC[C@H]1CC[C@H]([NH2+]C[C@H](O)COc2ccc(Cl)cc2Br)CC1 ZINC000516291447 564498486 /nfs/dbraw/zinc/49/84/86/564498486.db2.gz WNXVSPGTRRJOAO-UBHSHLNASA-N 1 0 392.721 2.983 20 0 GFADRO CC[C@H](C[C@@H](C)CO)[NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000570279680 564499136 /nfs/dbraw/zinc/49/91/36/564499136.db2.gz KOXZZRPNHPMERG-KCPJHIHWSA-N 1 0 378.282 2.715 20 0 GFADRO Cc1cc(Br)cc(NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C(C)C)C2)c1 ZINC000454120217 564499716 /nfs/dbraw/zinc/49/97/16/564499716.db2.gz ZWPPKJDPZXAKAE-HNNXBMFYSA-N 1 0 382.302 2.637 20 0 GFADRO O=C(NCC[C@@H]1CC[NH2+]C1)Nc1ccc(I)cc1F ZINC000570294907 564499838 /nfs/dbraw/zinc/49/98/38/564499838.db2.gz XKWSXXUVXVVQKB-VIFPVBQESA-N 1 0 377.201 2.551 20 0 GFADRO OCc1cn(CCC[NH2+][C@@H]2CCSc3ccc(Br)cc32)nn1 ZINC000516353087 564500948 /nfs/dbraw/zinc/50/09/48/564500948.db2.gz NGDZZNLSPVHSSJ-CQSZACIVSA-N 1 0 383.315 2.750 20 0 GFADRO C[C@H](CNC(=O)CNC(=O)c1ccc(Cl)cc1Cl)[N@@H+]1CCC[C@@H](C)C1 ZINC000516387570 564501637 /nfs/dbraw/zinc/50/16/37/564501637.db2.gz VTOQJRSYXWCXQJ-CHWSQXEVSA-N 1 0 386.323 2.960 20 0 GFADRO COc1ccc([C@@H](C)NC(=O)N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)cc1Br ZINC000454183111 564502122 /nfs/dbraw/zinc/50/21/22/564502122.db2.gz OWUKHTJSLZCAAU-OSAQELSMSA-N 1 0 382.302 2.864 20 0 GFADRO CCC[NH+]1CCC(NC(=O)NCc2nc(C)c(Br)s2)CC1 ZINC000454210721 564503144 /nfs/dbraw/zinc/50/31/44/564503144.db2.gz AAMCNCXRVAQZTO-UHFFFAOYSA-N 1 0 375.336 2.888 20 0 GFADRO C[N@@H+]1CC[C@H](C(=O)N2CC[C@H](Cc3cccc(I)c3)C2)C1 ZINC000570402488 564504364 /nfs/dbraw/zinc/50/43/64/564504364.db2.gz AANYJNKPJYIJCF-CABCVRRESA-N 1 0 398.288 2.634 20 0 GFADRO CC1(C)CC[C@H](C[NH2+]CCS(=O)(=O)c2cccc(Br)c2)O1 ZINC000570446839 564506231 /nfs/dbraw/zinc/50/62/31/564506231.db2.gz HXVVWLQRIRELBY-CYBMUJFWSA-N 1 0 376.316 2.770 20 0 GFADRO C[NH+](C)[C@@]1(CNC(=O)NCCc2ccc(Br)s2)CCSC1 ZINC000481242634 564506676 /nfs/dbraw/zinc/50/66/76/564506676.db2.gz PNNZRYCFJBMJED-CQSZACIVSA-N 1 0 392.388 2.790 20 0 GFADRO OC[C@@H](C[NH2+]Cc1cn(-c2ccccc2Br)nn1)c1ccccc1 ZINC000516606567 564507005 /nfs/dbraw/zinc/50/70/05/564507005.db2.gz MWEVXAUOLQGOFE-OAHLLOKOSA-N 1 0 387.281 2.896 20 0 GFADRO CSc1cccc(S(=O)(=O)N(Cc2scnc2C)C[C@H]2CC[NH2+]C2)c1 ZINC000570502153 564508775 /nfs/dbraw/zinc/50/87/75/564508775.db2.gz AUDKLVWJPFZJIU-AWEZNQCLSA-N 1 0 397.591 2.974 20 0 GFADRO C[NH+](C)[C@]1(CNC(=O)NCc2csc(Br)c2)CCSC1 ZINC000481284179 564508972 /nfs/dbraw/zinc/50/89/72/564508972.db2.gz UXAKTDFHDWIRCH-ZDUSSCGKSA-N 1 0 378.361 2.747 20 0 GFADRO COCCN(CC[NH+](C)C)Cc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000516686318 564509632 /nfs/dbraw/zinc/50/96/32/564509632.db2.gz VERCWRPDDFMOET-UHFFFAOYSA-N 1 0 381.318 2.849 20 0 GFADRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)C1=Cc2cc(Br)ccc2OC1 ZINC000481355801 564510630 /nfs/dbraw/zinc/51/06/30/564510630.db2.gz WXFALXALIKXDRC-JKSUJKDBSA-N 1 0 377.282 2.968 20 0 GFADRO [NH3+]CC[C@@H]1CCCN(C(=O)Nc2ccnn2-c2ccc(Br)cn2)C1 ZINC000570543600 564511924 /nfs/dbraw/zinc/51/19/24/564511924.db2.gz VYOOYYKSZSUCQI-LBPRGKRZSA-N 1 0 393.289 2.623 20 0 GFADRO Brc1c[nH]c(-c2nnc(N3CC[N@@H+]4CCC[C@@H]4C3)n2C2CC2)c1 ZINC000570576987 564512508 /nfs/dbraw/zinc/51/25/08/564512508.db2.gz RTJBILXSJGEGGH-CYBMUJFWSA-N 1 0 377.290 2.655 20 0 GFADRO Cc1oc(-c2ccc(Cl)c(Cl)c2)nc1C(=O)NC[C@H]1C[NH2+]CCN1C ZINC000516861858 564514456 /nfs/dbraw/zinc/51/44/56/564514456.db2.gz QPACEOVNTPFROW-GFCCVEGCSA-N 1 0 383.279 2.590 20 0 GFADRO C[C@H](C[C@@H]1CCCO1)[NH2+]C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000570675952 564515983 /nfs/dbraw/zinc/51/59/83/564515983.db2.gz VXUPUIXIWCZLJU-UGFHNGPFSA-N 1 0 376.266 2.875 20 0 GFADRO COCC[NH+]1CCC(NC(=O)NCCOc2ccc(Cl)c(Cl)c2)CC1 ZINC000454636447 564517182 /nfs/dbraw/zinc/51/71/82/564517182.db2.gz VZDKTUGQBPHPHO-UHFFFAOYSA-N 1 0 390.311 2.782 20 0 GFADRO [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)c1c(F)cccc1I ZINC000570684399 564517314 /nfs/dbraw/zinc/51/73/14/564517314.db2.gz CZWSTJAESJSQLV-HZNSRWLBSA-N 1 0 388.224 2.676 20 0 GFADRO CCC[C@@H]([NH2+]C(C)C)C(=O)N1CCN(c2ccc(Br)cn2)CC1 ZINC000481616968 564517548 /nfs/dbraw/zinc/51/75/48/564517548.db2.gz ZRDSAEIHFOZWKB-OAHLLOKOSA-N 1 0 383.334 2.659 20 0 GFADRO COc1c(Cl)cc(NC(=O)NC[C@@H]2CCC[N@@H+]2CCCO)cc1Cl ZINC000454680835 564519231 /nfs/dbraw/zinc/51/92/31/564519231.db2.gz RYNSMDHLGIBJKW-LBPRGKRZSA-N 1 0 376.284 2.970 20 0 GFADRO Cc1cc(Br)c(S(=O)(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)s1 ZINC000516970234 564519951 /nfs/dbraw/zinc/51/99/51/564519951.db2.gz DLIQRTNQETWTCR-RYUDHWBXSA-N 1 0 393.372 2.829 20 0 GFADRO C[C@@H]1CC[N@H+](CC(=O)NCC2(c3cccc(Br)c3)CCOCC2)C1 ZINC000516987322 564519958 /nfs/dbraw/zinc/51/99/58/564519958.db2.gz PPFRTPRIWPXFAI-OAHLLOKOSA-N 1 0 395.341 2.955 20 0 GFADRO C[C@@H](Cc1cc(Br)ccc1F)NC(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000454720377 564520922 /nfs/dbraw/zinc/52/09/22/564520922.db2.gz FVWZELVZXVBGQR-MQIPJXDCSA-N 1 0 384.293 2.865 20 0 GFADRO CC1(C)NC(=O)N(CC[NH2+][C@@H](c2cc(F)cc(Br)c2)C2CC2)C1=O ZINC000481737448 564521186 /nfs/dbraw/zinc/52/11/86/564521186.db2.gz OPTFROYRZRVDJG-CQSZACIVSA-N 1 0 398.276 2.959 20 0 GFADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@H]1CCC[C@H](N2CCCC2=O)C1 ZINC000570816749 564523807 /nfs/dbraw/zinc/52/38/07/564523807.db2.gz VKMRQNRTJOOTMF-KBMXLJTQSA-N 1 0 396.329 2.523 20 0 GFADRO [NH3+]CC1(C(=O)NCc2noc(-c3cccc(Br)c3)n2)CCCC1 ZINC000570840238 564524022 /nfs/dbraw/zinc/52/40/22/564524022.db2.gz UPEOMFCFEZIJOV-UHFFFAOYSA-N 1 0 379.258 2.634 20 0 GFADRO COc1cc2[nH+]ccc(N[C@H]3C[C@H]4CCCCN4C3=O)c2cc1Br ZINC000570922886 564527714 /nfs/dbraw/zinc/52/77/14/564527714.db2.gz RZAANEZMJKRGBV-BZNIZROVSA-N 1 0 390.281 2.993 20 0 GFADRO O=C(CN[C@H](c1ccccc1)c1cccc(Br)c1)N1CC[NH2+]CC1 ZINC000570953509 564528670 /nfs/dbraw/zinc/52/86/70/564528670.db2.gz IEIMDPURVCPVQL-LJQANCHMSA-N 1 0 388.309 2.560 20 0 GFADRO [NH3+]CC[C@H](NC(=O)[C@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1)C(F)F ZINC000570962853 564529544 /nfs/dbraw/zinc/52/95/44/564529544.db2.gz KQNRVPNLOHNPBI-QWHCGFSZSA-N 1 0 394.249 2.697 20 0 GFADRO [NH3+]CC[C@@H](NC(=O)[C@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1)C(F)F ZINC000570962849 564529576 /nfs/dbraw/zinc/52/95/76/564529576.db2.gz KQNRVPNLOHNPBI-CHWSQXEVSA-N 1 0 394.249 2.697 20 0 GFADRO Cc1ccc(I)cc1NC(=O)NCC1=CC[N@H+](C)CC1 ZINC000481957853 564530217 /nfs/dbraw/zinc/53/02/17/564530217.db2.gz QOLMLRAEDYTSFV-UHFFFAOYSA-N 1 0 385.249 2.983 20 0 GFADRO CCC[N@H+](CC)C[C@H](C)NC(=O)NCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000517265303 564530306 /nfs/dbraw/zinc/53/03/06/564530306.db2.gz XCUKYMAYLQUMCS-AWEZNQCLSA-N 1 0 389.949 2.533 20 0 GFADRO O=C(NCCNc1cccc(Br)c1)[C@]1(c2ccccc2)CC[NH2+]C1 ZINC000517356199 564531979 /nfs/dbraw/zinc/53/19/79/564531979.db2.gz JBHJZYKMSGIBKJ-LJQANCHMSA-N 1 0 388.309 2.909 20 0 GFADRO O=C(NC[C@H]1CCCC[N@H+]1CCO)Nc1cc(F)c(Br)c(F)c1 ZINC000455080197 564535935 /nfs/dbraw/zinc/53/59/35/564535935.db2.gz URBTXEGQFHTVRQ-LLVKDONJSA-N 1 0 392.244 2.696 20 0 GFADRO O=C(Nc1nnc(-c2cccc(Cl)c2)s1)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000571146220 564537968 /nfs/dbraw/zinc/53/79/68/564537968.db2.gz AJTCPNJXSOEMAN-UONOGXRCSA-N 1 0 377.901 3.368 20 0 GFADRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNS(=O)(=O)c2ccc(C(=O)OC)s2)C1 ZINC000517709913 564539890 /nfs/dbraw/zinc/53/98/90/564539890.db2.gz XFHBVOBJKMPBCD-CYBMUJFWSA-N 1 0 388.555 2.714 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCc1nc(C)c(Br)s1 ZINC000455227785 564544083 /nfs/dbraw/zinc/54/40/83/564544083.db2.gz JDWAUXSDDQDONB-LLVKDONJSA-N 1 0 375.336 2.840 20 0 GFADRO C[C@H](NC(=O)CN1CC2CCC1(C[NH3+])CC2)c1ccc(Br)cc1 ZINC000571297519 564545048 /nfs/dbraw/zinc/54/50/48/564545048.db2.gz NSONLCINWFNJAW-VNSJNIRKSA-N 1 0 380.330 2.830 20 0 GFADRO C[C@@H](NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1cc(Br)ccc1F ZINC000482549091 564545738 /nfs/dbraw/zinc/54/57/38/564545738.db2.gz CQXOFMBEFSOWDT-OLZOCXBDSA-N 1 0 386.309 2.826 20 0 GFADRO C[C@H]1CCC[C@H](C)[NH+]1CCNS(=O)(=O)c1ccc(Br)cc1 ZINC000518091549 564546180 /nfs/dbraw/zinc/54/61/80/564546180.db2.gz NNILKIFGIFDVNN-STQMWFEESA-N 1 0 375.332 2.990 20 0 GFADRO CS(=O)(=O)c1ccc(OCC[NH2+][C@@H](CCO)c2ccc(Cl)cc2)cc1 ZINC000571336091 564546227 /nfs/dbraw/zinc/54/62/27/564546227.db2.gz CNYYHCLSVOENCV-SFHVURJKSA-N 1 0 383.897 2.836 20 0 GFADRO Cc1cc(N2CC[N@H+](CCO)[C@H](C)C2)c2cc(Br)cc(F)c2n1 ZINC000548288356 564547275 /nfs/dbraw/zinc/54/72/75/564547275.db2.gz PRWYRNLOHRCSKH-GFCCVEGCSA-N 1 0 382.277 2.948 20 0 GFADRO C[C@@H]1C[C@H]([NH2+]CCCN2CCC[C@H]2C(N)=O)c2cccc(Br)c21 ZINC000482629072 564547337 /nfs/dbraw/zinc/54/73/37/564547337.db2.gz MHGYLIBMQJXZSN-KCXAZCMYSA-N 1 0 380.330 2.927 20 0 GFADRO C[C@@H](CNC(=O)C(=O)N(C)CC[N@H+](C)C1CC1)c1c(Cl)cccc1Cl ZINC000571352250 564547687 /nfs/dbraw/zinc/54/76/87/564547687.db2.gz QTMNQAXTXXBIET-LBPRGKRZSA-N 1 0 386.323 2.766 20 0 GFADRO O=C(N[C@H](c1cncc(Br)c1)C1CC1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000518345873 564551260 /nfs/dbraw/zinc/55/12/60/564551260.db2.gz XEWDPUYRUOXRSZ-CVEARBPZSA-N 1 0 379.302 2.831 20 0 GFADRO C[NH+]1CCN(CCN(Cc2ccc(Br)cc2F)C(=O)C2CC2)CC1 ZINC000482878469 564552322 /nfs/dbraw/zinc/55/23/22/564552322.db2.gz FQIUNMWBDBPYDA-UHFFFAOYSA-N 1 0 398.320 2.574 20 0 GFADRO Cc1ccc(Br)cc1S(=O)(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000518375698 564552476 /nfs/dbraw/zinc/55/24/76/564552476.db2.gz SEBKRXSZRPZZNL-ZIAGYGMSSA-N 1 0 387.343 2.768 20 0 GFADRO Cc1ccc(I)c(C(=O)N(C)[C@@H]2C[NH+]3CCC2CC3)c1 ZINC000518435150 564552969 /nfs/dbraw/zinc/55/29/69/564552969.db2.gz ZQTRVJKBZPRJEH-OAHLLOKOSA-N 1 0 384.261 2.766 20 0 GFADRO CN(C)c1ncc(Br)cc1C(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000482969693 564554278 /nfs/dbraw/zinc/55/42/78/564554278.db2.gz GHIJJNSUBIUEPC-UHFFFAOYSA-N 1 0 383.334 2.762 20 0 GFADRO COc1ccc(NC(=O)N2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)c(Br)c1 ZINC000571504518 564554368 /nfs/dbraw/zinc/55/43/68/564554368.db2.gz HARJXAQUVIIJMC-ZBFHGGJFSA-N 1 0 398.301 2.818 20 0 GFADRO COCCC(C)(C)C[NH2+]C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000571517306 564554720 /nfs/dbraw/zinc/55/47/20/564554720.db2.gz QWZJATJBZABJKA-AWEZNQCLSA-N 1 0 378.282 2.980 20 0 GFADRO CC(=O)N[C@H](CC(=O)NC[C@@]1(C)CCC[NH2+]C1)c1ccc(Br)cc1 ZINC000571524040 564555222 /nfs/dbraw/zinc/55/52/22/564555222.db2.gz ZAVSHKADMBGOBB-AEFFLSMTSA-N 1 0 396.329 2.522 20 0 GFADRO CC(C)C[C@@](C)([NH2+]CCN1C(=O)CNC1=O)c1cccc(Br)c1 ZINC000483045901 564557366 /nfs/dbraw/zinc/55/73/66/564557366.db2.gz DZNFLDLIYFZYKR-QGZVFWFLSA-N 1 0 382.302 2.852 20 0 GFADRO CCn1c(CNC(=O)C2CC[NH+](C)CC2)nc2cc(Br)ccc21 ZINC000483062423 564557885 /nfs/dbraw/zinc/55/78/85/564557885.db2.gz UQELHCCQAUDJBF-UHFFFAOYSA-N 1 0 379.302 2.777 20 0 GFADRO O=S(=O)(c1cc(F)ccc1OC(F)F)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000571632409 564559769 /nfs/dbraw/zinc/55/97/69/564559769.db2.gz DOAPSMBTPCBLEX-AAEUAGOBSA-N 1 0 378.416 2.580 20 0 GFADRO CC(C)[N@H+](C)CCCNC(=O)[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000518749908 564561820 /nfs/dbraw/zinc/56/18/20/564561820.db2.gz JVGMGENTHCUFTK-INIZCTEOSA-N 1 0 396.329 2.649 20 0 GFADRO C[C@]1(C(N)=O)CC[N@H+](CC(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000483291718 564562804 /nfs/dbraw/zinc/56/28/04/564562804.db2.gz RHWQZXGKSKTOAM-YJBOKZPZSA-N 1 0 384.307 2.854 20 0 GFADRO COc1ccc(Br)c(CNC(=O)Nc2ccnn2CC[NH+](C)C)c1 ZINC000455668585 564563628 /nfs/dbraw/zinc/56/36/28/564563628.db2.gz LNMPPAFCHYQBLR-UHFFFAOYSA-N 1 0 396.289 2.538 20 0 GFADRO Cc1ccc(F)c(Br)c1NC(=O)NC[C@@H]1CCC[N@@H+]1CCCO ZINC000455688058 564564598 /nfs/dbraw/zinc/56/45/98/564564598.db2.gz AXHZKCGQSZLWQT-LBPRGKRZSA-N 1 0 388.281 2.865 20 0 GFADRO CS[C@H]1CN(C(=O)Cc2csc(-c3ccoc3)n2)C[C@@H]1[NH+]1CCCC1 ZINC000483395126 564566373 /nfs/dbraw/zinc/56/63/73/564566373.db2.gz OOCKSOPEYAPJMN-HOTGVXAUSA-N 1 0 377.535 2.984 20 0 GFADRO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000483423651 564567235 /nfs/dbraw/zinc/56/72/35/564567235.db2.gz YIBRQQPCODGVIL-UONOGXRCSA-N 1 0 386.323 2.941 20 0 GFADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNS(=O)(=O)c2cccc3nsnc32)C1 ZINC000519002243 564567662 /nfs/dbraw/zinc/56/76/62/564567662.db2.gz SZAPBVYIJUKJNE-OKILXGFUSA-N 1 0 382.555 2.728 20 0 GFADRO CC(C)[NH2+]C1CCN(C(=O)Nc2cc(N(C)C)c(Br)cn2)CC1 ZINC000455857808 564574689 /nfs/dbraw/zinc/57/46/89/564574689.db2.gz AORQXEBUBNFLKS-UHFFFAOYSA-N 1 0 384.322 2.904 20 0 GFADRO CC[C@H](C)[C@@H](C[NH2+]C[C@H](O)COc1cc(F)cc(Br)c1)OC ZINC000519387521 564576217 /nfs/dbraw/zinc/57/62/17/564576217.db2.gz JYONYCVVCYTVTO-HZUKXOBISA-N 1 0 378.282 2.979 20 0 GFADRO C[N@@H+]1CCC[C@]2(CCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3F)C2)C1 ZINC000572009250 564577012 /nfs/dbraw/zinc/57/70/12/564577012.db2.gz FCVGQAGNAKPZCS-HNNXBMFYSA-N 1 0 380.407 2.951 20 0 GFADRO Cc1cc(S(=O)(=O)N[C@H](C)[C@H]2CCC[NH2+]C2)c(F)cc1Br ZINC000519399191 564577073 /nfs/dbraw/zinc/57/70/73/564577073.db2.gz AJVFNQSFMPWHIN-MNOVXSKESA-N 1 0 379.295 2.563 20 0 GFADRO Cc1csc(C(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)c1I ZINC000571998473 564577359 /nfs/dbraw/zinc/57/73/59/564577359.db2.gz KUVWTCILPVWZOT-AWEZNQCLSA-N 1 0 390.290 2.877 20 0 GFADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)CCOc1ccc(C)cc1Br ZINC000519433710 564577922 /nfs/dbraw/zinc/57/79/22/564577922.db2.gz AOBKOKPRUJFAAA-OAHLLOKOSA-N 1 0 399.329 2.753 20 0 GFADRO O=C(Nc1ccccc1Br)C1CC[NH+](CC[C@H]2CCNC2=O)CC1 ZINC000572055355 564579222 /nfs/dbraw/zinc/57/92/22/564579222.db2.gz IVZSAABKOKLNMW-CYBMUJFWSA-N 1 0 394.313 2.626 20 0 GFADRO O[C@H](C[NH2+]Cc1cnc2n1CCCC2)COc1cc(F)cc(Br)c1 ZINC000519536004 564580059 /nfs/dbraw/zinc/58/00/59/564580059.db2.gz BNAADOXAVKYBBE-OAHLLOKOSA-N 1 0 398.276 2.651 20 0 GFADRO Cc1nc2cc(Cl)c(NC(=O)C(=O)N3CC[N@@H+]4CCC[C@H]4C3)cc2s1 ZINC000484046564 564580955 /nfs/dbraw/zinc/58/09/55/564580955.db2.gz PMTZVGWRIZIDHV-NSHDSACASA-N 1 0 378.885 2.503 20 0 GFADRO Cn1cc(Br)cc(NC(=O)NCC[NH2+]C2CCCCCC2)c1=O ZINC000519588497 564582415 /nfs/dbraw/zinc/58/24/15/564582415.db2.gz RWTVSMLHZYCVQE-UHFFFAOYSA-N 1 0 385.306 2.582 20 0 GFADRO COc1ccc(Br)cc1C(=O)CCC(=O)N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000484145339 564582393 /nfs/dbraw/zinc/58/23/93/564582393.db2.gz RPFBJPWFNGHDDR-NWDGAFQWSA-N 1 0 383.286 2.616 20 0 GFADRO Cc1cc(C(=O)N2CC[C@@H]([C@@H](C)[NH3+])C2)nn1-c1ccc(Br)cc1 ZINC000484133590 564582719 /nfs/dbraw/zinc/58/27/19/564582719.db2.gz NRVSGKBGHVUJQB-CHWSQXEVSA-N 1 0 377.286 2.753 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000519650179 564585011 /nfs/dbraw/zinc/58/50/11/564585011.db2.gz YOZUYMHMPZNMLV-ZDUSSCGKSA-N 1 0 377.286 2.754 20 0 GFADRO OC[C@H](C[NH2+]C[C@@H](O)COc1cccc(Br)c1)c1ccccc1 ZINC000572243154 564586402 /nfs/dbraw/zinc/58/64/02/564586402.db2.gz OHKBWQACKLKSBA-DOTOQJQBSA-N 1 0 380.282 2.555 20 0 GFADRO C[C@@H](C[N@H+](C)CCC(=O)N1CCN(C)CC1)Oc1ccc(Cl)c(Cl)c1 ZINC000549165310 564587385 /nfs/dbraw/zinc/58/73/85/564587385.db2.gz KKADCIIUXLZYEY-AWEZNQCLSA-N 1 0 388.339 2.857 20 0 GFADRO C[C@H](Cc1ccc(F)c(Br)c1)C(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000519718455 564587751 /nfs/dbraw/zinc/58/77/51/564587751.db2.gz ZPPKSEPWDCMNNM-RNCFNFMXSA-N 1 0 379.220 2.880 20 0 GFADRO CCCN(CC[NH+]1CCCC1)c1ccc(S(N)(=O)=O)c(C(F)(F)F)c1 ZINC000572294117 564588773 /nfs/dbraw/zinc/58/87/73/564588773.db2.gz ZLJHXWRPRJZYFC-UHFFFAOYSA-N 1 0 379.448 2.665 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)N2CCOc3ccc(Br)cc3C2)C[N@@H+]1C1CC1 ZINC000549225539 564589095 /nfs/dbraw/zinc/58/90/95/564589095.db2.gz AUESTEAADHRLDD-IUODEOHRSA-N 1 0 394.313 2.978 20 0 GFADRO COCC[C@H](Cc1cccc(Br)c1)C(=O)N1CC[C@H]([C@H](C)[NH3+])C1 ZINC000484539644 564590466 /nfs/dbraw/zinc/59/04/66/564590466.db2.gz CUAOLSQNVQXLKX-IMJJTQAJSA-N 1 0 383.330 2.840 20 0 GFADRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)Nc1ccc(-c2ccc(Br)s2)nn1 ZINC000572363242 564591449 /nfs/dbraw/zinc/59/14/49/564591449.db2.gz QFORWOPPZHAQMK-RKDXNWHRSA-N 1 0 384.303 3.215 20 0 GFADRO CCO[C@@H]1COCC[C@@H]1[NH2+]CC(=O)N[C@H](C)c1ccc(Cl)cc1Cl ZINC000484627474 564592912 /nfs/dbraw/zinc/59/29/12/564592912.db2.gz ZWZLKTVQGIMSNO-XFBWCDHKSA-N 1 0 375.296 2.954 20 0 GFADRO [NH3+][C@H]1CCC[C@@H](CNS(=O)(=O)c2cc(Br)c(F)cc2F)C1 ZINC000572403333 564593117 /nfs/dbraw/zinc/59/31/17/564593117.db2.gz DUVHHEIAAQJDMT-BDAKNGLRSA-N 1 0 383.258 2.523 20 0 GFADRO CC(C)[C@@H]1C[C@@H]([NH2+]CCNS(=O)(=O)c2ccc(F)cc2Cl)CS1 ZINC000549422905 564594645 /nfs/dbraw/zinc/59/46/45/564594645.db2.gz SCEPFCDKMCVDPD-OCCSQVGLSA-N 1 0 380.938 2.877 20 0 GFADRO CS(=O)(=O)c1ccc(CNC(=O)c2ccc(C[NH+]3CCCC3)cc2)s1 ZINC000549447781 564594789 /nfs/dbraw/zinc/59/47/89/564594789.db2.gz WDGCMFOMHNBOKY-UHFFFAOYSA-N 1 0 378.519 2.677 20 0 GFADRO Cc1[nH+]c2ccc(Br)cc2c(N(C)CC(=O)N2CCOCC2)c1C ZINC000549490757 564595843 /nfs/dbraw/zinc/59/58/43/564595843.db2.gz TWKOQVBDYCKDGL-UHFFFAOYSA-N 1 0 392.297 2.909 20 0 GFADRO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1Cc1nc(-c2cccc(Br)c2)c[nH]1 ZINC000572466851 564596295 /nfs/dbraw/zinc/59/62/95/564596295.db2.gz NFXSKVNNEOQGJV-ZIAGYGMSSA-N 1 0 393.329 2.726 20 0 GFADRO Cc1cc(N2CCC[C@@H]([N@@H+]3C[C@@H](C)[C@H](CO)C3)C2=O)ccc1Br ZINC000484724388 564596420 /nfs/dbraw/zinc/59/64/20/564596420.db2.gz DEJQKUDQABOKFK-JKIFEVAISA-N 1 0 381.314 2.813 20 0 GFADRO C[C@H]1CC[N@H+](C)CCN1C(=O)C(=O)Nc1cccc(Br)c1Cl ZINC000549698244 564601948 /nfs/dbraw/zinc/60/19/48/564601948.db2.gz FAKYHOKMTGUHHA-JTQLQIEISA-N 1 0 388.693 2.594 20 0 GFADRO CCS(=O)(=O)N(C)CCC[NH2+][C@@H]1CCc2cccc(Br)c2C1 ZINC000549709713 564602309 /nfs/dbraw/zinc/60/23/09/564602309.db2.gz PBYYKTABBXXLOK-CQSZACIVSA-N 1 0 389.359 2.568 20 0 GFADRO C[C@H]1C[N@H+](C)CCN1c1ccc(Br)cc1NC(=O)CC(C)(C)O ZINC000456361989 564602623 /nfs/dbraw/zinc/60/26/23/564602623.db2.gz DGXFIGXWCCFAJD-LBPRGKRZSA-N 1 0 384.318 2.689 20 0 GFADRO CC(C)(C)NS(=O)(=O)CC[NH2+][C@H]1CCc2cccc(Br)c2C1 ZINC000549722414 564603224 /nfs/dbraw/zinc/60/32/24/564603224.db2.gz RRBXJCMYJXVDDK-ZDUSSCGKSA-N 1 0 389.359 2.614 20 0 GFADRO CC(=O)N1CCC(C[NH2+]C[C@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000520396919 564603756 /nfs/dbraw/zinc/60/37/56/564603756.db2.gz UOJBWGOPQQSNML-AWEZNQCLSA-N 1 0 375.296 2.581 20 0 GFADRO O=C(Nc1ccc(SCC[NH+]2CCCCC2)cc1)N1CCS(=O)CC1 ZINC000520404076 564603790 /nfs/dbraw/zinc/60/37/90/564603790.db2.gz MTDZUUBZZGBIEB-UHFFFAOYSA-N 1 0 381.567 2.861 20 0 GFADRO CCOCCC(=O)Nc1cc(Br)ccc1N1CC[N@H+](C)C[C@@H]1C ZINC000456377203 564603911 /nfs/dbraw/zinc/60/39/11/564603911.db2.gz SYDIVEDSOQTHRO-ZDUSSCGKSA-N 1 0 384.318 2.955 20 0 GFADRO COCC[C@H]([NH2+]CCN1CCCS1(=O)=O)c1ccc(Cl)c(Cl)c1 ZINC000520437922 564604351 /nfs/dbraw/zinc/60/43/51/564604351.db2.gz TWEYQNHMPCYRQH-HNNXBMFYSA-N 1 0 381.325 2.696 20 0 GFADRO CCC[N@H+](CCC(=O)Nc1ccc(OC)c(Cl)c1)[C@H]1CCS(=O)(=O)C1 ZINC000485038410 564604931 /nfs/dbraw/zinc/60/49/31/564604931.db2.gz ZWRAWSYYVGORHV-AWEZNQCLSA-N 1 0 388.917 2.576 20 0 GFADRO O=C(Nc1ccc(Br)c(F)c1)C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000485023159 564605042 /nfs/dbraw/zinc/60/50/42/564605042.db2.gz FIXJHFSPLHXMTB-UHFFFAOYSA-N 1 0 398.276 2.660 20 0 GFADRO CC1(C)CCN(C(=O)c2ccc(C[NH+]3CCSCC3)cc2)CC[S@]1=O ZINC000456411345 564605944 /nfs/dbraw/zinc/60/59/44/564605944.db2.gz YRQRJIZTMQEVDE-RUZDIDTESA-N 1 0 380.579 2.609 20 0 GFADRO O=C(NCCc1nc(C(F)(F)F)cs1)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000572705458 564606401 /nfs/dbraw/zinc/60/64/01/564606401.db2.gz JFJPVHVNDYTWGL-NEPJUHHUSA-N 1 0 376.448 2.736 20 0 GFADRO CCCOC[C@@H](Cc1cccc(Br)c1)[NH2+]C[C@H](C)S(C)(=O)=O ZINC000572715136 564607564 /nfs/dbraw/zinc/60/75/64/564607564.db2.gz QSFKBONYTNIIGU-XJKSGUPXSA-N 1 0 392.359 2.810 20 0 GFADRO C[C@]1(C[NH3+])CCN(C(=O)NCCNc2ncc(C(F)(F)F)cc2Cl)C1 ZINC000572737797 564608477 /nfs/dbraw/zinc/60/84/77/564608477.db2.gz AUMSXOYNYCILHF-CQSZACIVSA-N 1 0 379.814 2.546 20 0 GFADRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)NCc2ccc(Cl)cc2Cl)C1 ZINC000549913117 564609047 /nfs/dbraw/zinc/60/90/47/564609047.db2.gz WNJJLBXTMJXLFH-XJKSGUPXSA-N 1 0 384.307 2.552 20 0 GFADRO Cc1ccc(C[C@H](CO)CNC(=O)[C@H]2CCC[N@@H+]2C2CC2)cc1Br ZINC000456488103 564611285 /nfs/dbraw/zinc/61/12/85/564611285.db2.gz JDBKUARQDCGQJT-MAUKXSAKSA-N 1 0 395.341 2.652 20 0 GFADRO C[NH+](C)CCN(C(=O)c1ccc(I)c(F)c1)C1CC1 ZINC000485277169 564611687 /nfs/dbraw/zinc/61/16/87/564611687.db2.gz PVDVHJMLPOGXAO-UHFFFAOYSA-N 1 0 376.213 2.597 20 0 GFADRO COCC[N@@H+]1CC[C@H](NC(=O)c2cc3c(cc(Br)cc3F)[nH]2)C1 ZINC000520767392 564612235 /nfs/dbraw/zinc/61/22/35/564612235.db2.gz ONMHDSGBEKLCGS-NSHDSACASA-N 1 0 384.249 2.520 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)c2cn(-c3ccc(Br)cc3)cn2)C1 ZINC000572839880 564612870 /nfs/dbraw/zinc/61/28/70/564612870.db2.gz ABXXGBPTSNCJJB-STQMWFEESA-N 1 0 377.286 2.834 20 0 GFADRO CN1CCN(C(=O)c2ccc(-c3ccc(Br)cc3)s2)[C@H](C[NH3+])C1 ZINC000520808761 564614003 /nfs/dbraw/zinc/61/40/03/564614003.db2.gz FPLGEMBRHPBKLO-CQSZACIVSA-N 1 0 394.338 2.893 20 0 GFADRO CC(C)(CO)[C@H]([NH2+]C[C@H](O)COc1cc(F)cc(Br)c1)C1CC1 ZINC000550102921 564614261 /nfs/dbraw/zinc/61/42/61/564614261.db2.gz WCHFMRYALXOQJB-GOEBONIOSA-N 1 0 390.293 2.715 20 0 GFADRO O=S(=O)(Cc1ccccc1Br)NCC[NH+]1CCCCCC1 ZINC000520861293 564614618 /nfs/dbraw/zinc/61/46/18/564614618.db2.gz GLURRCQPHHAMNJ-UHFFFAOYSA-N 1 0 375.332 2.745 20 0 GFADRO NS(=O)(=O)CCC[N@@H+]1CCCC[C@H]1Cc1ccccc1Br ZINC000550157667 564616556 /nfs/dbraw/zinc/61/65/56/564616556.db2.gz NNWMWNBAQQZLCO-AWEZNQCLSA-N 1 0 375.332 2.525 20 0 GFADRO O=C(NCc1n[nH]cc1Br)C1CC[NH+](Cc2ccccc2)CC1 ZINC000520991321 564617674 /nfs/dbraw/zinc/61/76/74/564617674.db2.gz ZJYMAZWZSSDBKS-UHFFFAOYSA-N 1 0 377.286 2.701 20 0 GFADRO C[NH2+]CC1CCN(C(=O)Nc2ccc(I)cc2F)CC1 ZINC000572975989 564617811 /nfs/dbraw/zinc/61/78/11/564617811.db2.gz IOGUNKNTGUSWGH-UHFFFAOYSA-N 1 0 391.228 2.894 20 0 GFADRO O=C(CCC(=O)c1cc(Cl)sc1Cl)NCCN1CCC(O)CC1 ZINC000456576288 564618717 /nfs/dbraw/zinc/61/87/17/564618717.db2.gz AQIMAVQYEVHIGI-UHFFFAOYSA-N 1 0 379.309 2.591 20 0 GFADRO CC[NH+]1CCN(CCC(=O)Nc2cccc3c(Br)ccnc23)CC1 ZINC000456591964 564620004 /nfs/dbraw/zinc/62/00/04/564620004.db2.gz QQISZZPYLGHYOY-UHFFFAOYSA-N 1 0 391.313 2.963 20 0 GFADRO Cc1cscc1CNC(=O)C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000550407208 564623141 /nfs/dbraw/zinc/62/31/41/564623141.db2.gz WSGGUEDMNRCWOS-HNNXBMFYSA-N 1 0 377.535 2.688 20 0 GFADRO O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)[C@H]1CC(=O)Nc2ccc(Br)cc21 ZINC000485752180 564625352 /nfs/dbraw/zinc/62/53/52/564625352.db2.gz SEZXQXAARFNJOK-YDHLFZDLSA-N 1 0 392.297 2.618 20 0 GFADRO C[C@@H](Cc1ccc(F)c(Br)c1)NC(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000485794719 564626104 /nfs/dbraw/zinc/62/61/04/564626104.db2.gz YRDIJFKYKCKRGU-CMPLNLGQSA-N 1 0 395.276 2.749 20 0 GFADRO CN(CCC[N@H+](C)Cc1ccco1)C(=O)c1cc[nH]c(=O)c1Br ZINC000521416300 564626362 /nfs/dbraw/zinc/62/63/62/564626362.db2.gz NIOXQUCLUJNVTO-UHFFFAOYSA-N 1 0 382.258 2.737 20 0 GFADRO O=C(NCC1(c2ccccc2Br)CC1)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000485782122 564626385 /nfs/dbraw/zinc/62/63/85/564626385.db2.gz HXYSZUFTLQAJRI-LBPRGKRZSA-N 1 0 389.297 2.711 20 0 GFADRO C[C@@](O)(C[NH2+]Cc1csc2c1cccc2Br)CN1CCOCC1 ZINC000521463982 564627609 /nfs/dbraw/zinc/62/76/09/564627609.db2.gz HOASOINGUFFFMG-QGZVFWFLSA-N 1 0 399.354 2.837 20 0 GFADRO CS(=O)(=O)C[C@H]([NH2+]C1CCN(c2nc3ccccc3s2)CC1)C1CC1 ZINC000550626840 564627912 /nfs/dbraw/zinc/62/79/12/564627912.db2.gz BTWMFEOSLAMGRL-INIZCTEOSA-N 1 0 379.551 2.678 20 0 GFADRO C[C@@H]([NH3+])[C@@H](C)NS(=O)(=O)c1csc(-c2cccc(Br)c2)n1 ZINC000573205823 564628455 /nfs/dbraw/zinc/62/84/55/564628455.db2.gz CPVSTQYDLBMTMW-RKDXNWHRSA-N 1 0 390.328 2.587 20 0 GFADRO C[C@H](CNC(=O)C(=O)NCc1c(Cl)cccc1Cl)[NH+]1CCC(C)CC1 ZINC000550725382 564629454 /nfs/dbraw/zinc/62/94/54/564629454.db2.gz RDYAUOMZJZILKT-CYBMUJFWSA-N 1 0 386.323 2.846 20 0 GFADRO NC(=O)c1ccc(NC(=O)CC[N@@H+]2CCC[C@]3(CCSC3)C2)cc1Cl ZINC000521546067 564630535 /nfs/dbraw/zinc/63/05/35/564630535.db2.gz YCJHKAZDWQWKND-SFHVURJKSA-N 1 0 381.929 2.987 20 0 GFADRO C[NH+](C)CC[C@@H](NC(=O)C(=O)NCc1ccccc1Br)C(C)(C)C ZINC000550820458 564632536 /nfs/dbraw/zinc/63/25/36/564632536.db2.gz HHOZNYZKLMMFEW-OAHLLOKOSA-N 1 0 398.345 2.548 20 0 GFADRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)NCc1cccc(Cl)c1Cl ZINC000550814556 564632723 /nfs/dbraw/zinc/63/27/23/564632723.db2.gz SCYHXJWNHYOUTI-AWEZNQCLSA-N 1 0 386.323 2.990 20 0 GFADRO CC(C)(C)c1ncc(C[NH2+][C@H]2CCN(S(=O)(=O)c3ccccc3)C2)s1 ZINC000573380875 564635816 /nfs/dbraw/zinc/63/58/16/564635816.db2.gz FPBWOTIJKLAWMP-AWEZNQCLSA-N 1 0 379.551 2.993 20 0 GFADRO CC[NH+]1CCN(CC(C)(C)NC(=O)Cc2cc(Br)ccc2C)CC1 ZINC000456878751 564636657 /nfs/dbraw/zinc/63/66/57/564636657.db2.gz JPWAZMIIIJFTRP-UHFFFAOYSA-N 1 0 396.373 2.832 20 0 GFADRO O=S(=O)(CC[NH2+]CCOc1ncc(Cl)cc1Cl)c1ccccc1 ZINC000573438036 564637369 /nfs/dbraw/zinc/63/73/69/564637369.db2.gz WRRLGACWWVVRNO-UHFFFAOYSA-N 1 0 375.277 2.831 20 0 GFADRO CCOCC[C@H](O)C[NH2+][C@@H](C)CCc1ccc(I)cc1 ZINC000521864336 564637473 /nfs/dbraw/zinc/63/74/73/564637473.db2.gz XWKDKVFSUMIEFP-BBRMVZONSA-N 1 0 391.293 2.989 20 0 GFADRO C[C@@H]1CN(C(=O)c2cc(Br)cs2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000486078372 564638360 /nfs/dbraw/zinc/63/83/60/564638360.db2.gz VAZWCDWFIUPJML-OCCSQVGLSA-N 1 0 386.359 2.609 20 0 GFADRO CC[NH+]1CCN(CC(C)(C)NC(=O)c2cc(F)ccc2Br)CC1 ZINC000456908933 564638407 /nfs/dbraw/zinc/63/84/07/564638407.db2.gz XRQJXCXLCDVDRZ-UHFFFAOYSA-N 1 0 386.309 2.734 20 0 GFADRO O=C([C@H]1CC(=O)Nc2ccc(Br)cc21)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000521949491 564639311 /nfs/dbraw/zinc/63/93/11/564639311.db2.gz UCZUCNWHWVMGRA-HIFRSBDPSA-N 1 0 392.297 2.572 20 0 GFADRO O=S1(=O)CCCN1CC[NH2+][C@@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000521988221 564640602 /nfs/dbraw/zinc/64/06/02/564640602.db2.gz KXLKKCYNILKCAN-HZPDHXFCSA-N 1 0 376.444 2.967 20 0 GFADRO Cc1ncc(C[NH2+]CCC(=O)N(C)Cc2ccccc2Br)cn1 ZINC000522062562 564643135 /nfs/dbraw/zinc/64/31/35/564643135.db2.gz HIRRFICXCJMZAN-UHFFFAOYSA-N 1 0 377.286 2.686 20 0 GFADRO C[C@@H]([NH2+]CCCNC(=O)c1ccc(Br)cc1)C(C)(C)n1cncn1 ZINC000551270514 564644657 /nfs/dbraw/zinc/64/46/57/564644657.db2.gz OBKSEWNCJYCHHJ-CYBMUJFWSA-N 1 0 394.317 2.574 20 0 GFADRO Cc1cc(Br)cc(NC(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)c1 ZINC000486367636 564649512 /nfs/dbraw/zinc/64/95/12/564649512.db2.gz GIBIVOKNQLIKHX-INIZCTEOSA-N 1 0 394.313 2.783 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1Br ZINC000486389340 564650305 /nfs/dbraw/zinc/65/03/05/564650305.db2.gz PXAHXUWSOJPAHN-CHWSQXEVSA-N 1 0 382.302 2.603 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)c1cc(I)c[nH]1)c1ccsc1 ZINC000522321749 564650314 /nfs/dbraw/zinc/65/03/14/564650314.db2.gz IOZBZMWKUKOGNG-GFCCVEGCSA-N 1 0 389.262 2.714 20 0 GFADRO CCCC[N@H+](C)CCNC(=O)C(=O)Nc1cc(Br)c(C)cc1C ZINC000486397826 564650877 /nfs/dbraw/zinc/65/08/77/564650877.db2.gz BQMPYAAEFQKEDC-UHFFFAOYSA-N 1 0 384.318 2.853 20 0 GFADRO Cc1cccc(NC(=O)C(=O)N[C@@H](C)C[NH+]2CCC(C)CC2)c1Br ZINC000573742984 564651383 /nfs/dbraw/zinc/65/13/83/564651383.db2.gz CGQBUBKAWBJIGW-AWEZNQCLSA-N 1 0 396.329 2.933 20 0 GFADRO CCC1CC([NH2+]C[C@H](O)COc2ccc(I)cc2)C1 ZINC000551530646 564653508 /nfs/dbraw/zinc/65/35/08/564653508.db2.gz VGYYKOAWACJUDY-UBHUBRDASA-N 1 0 375.250 2.809 20 0 GFADRO COc1ccc(Br)cc1[C@@H]1CCCN1C(=O)COC1CC[NH2+]CC1 ZINC000573793003 564654212 /nfs/dbraw/zinc/65/42/12/564654212.db2.gz FVMSIHOBOLSKEW-INIZCTEOSA-N 1 0 397.313 2.890 20 0 GFADRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)Nc1c(C)cc(Br)cc1C ZINC000522791795 564656872 /nfs/dbraw/zinc/65/68/72/564656872.db2.gz VLDOHRONSBQKJK-OAHLLOKOSA-N 1 0 396.329 2.995 20 0 GFADRO CN(C(=O)c1cn(Cc2ccc(Cl)cc2Cl)nn1)C1CC[NH+](C)CC1 ZINC000457373939 564658424 /nfs/dbraw/zinc/65/84/24/564658424.db2.gz TWSDVJJOZCWDQZ-UHFFFAOYSA-N 1 0 382.295 2.799 20 0 GFADRO C[N@@H+]1CCC[C@H](CNC(=O)N[C@@H](c2cncc(Br)c2)C2CC2)C1 ZINC000551655394 564658785 /nfs/dbraw/zinc/65/87/85/564658785.db2.gz UDAMDXXPFKJELE-MLGOLLRUSA-N 1 0 381.318 2.936 20 0 GFADRO C[C@H]1C[C@@H](NC(=O)N2CCN(c3cccc(Br)c3)CC2)CC[N@@H+]1C ZINC000573941227 564661063 /nfs/dbraw/zinc/66/10/63/564661063.db2.gz XGFUOZQPYFACRK-HOCLYGCPSA-N 1 0 395.345 2.763 20 0 GFADRO COC(=O)c1ccc(C[NH2+]CCCOC[C@@H]2CCCO2)c(Br)c1 ZINC000551788226 564663717 /nfs/dbraw/zinc/66/37/17/564663717.db2.gz ZXBCMZKMLWCPHA-HNNXBMFYSA-N 1 0 386.286 2.911 20 0 GFADRO Cc1cc(S(=O)(=O)N2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)c(Cl)cc1F ZINC000574025714 564665289 /nfs/dbraw/zinc/66/52/89/564665289.db2.gz BRLMQXJQGSIREN-CZUORRHYSA-N 1 0 390.908 2.695 20 0 GFADRO Cc1nn(C)c(CN2CC[N@H+](C)[C@H](Cc3ccccc3)C2)c1Br ZINC000551834666 564665522 /nfs/dbraw/zinc/66/55/22/564665522.db2.gz VYGPZHUOPMDMPW-MRXNPFEDSA-N 1 0 377.330 2.850 20 0 GFADRO O=C(NCC[C@H]1CCC[NH2+]C1)Nc1ccnn1-c1ccc(Br)cn1 ZINC000574175038 564670962 /nfs/dbraw/zinc/67/09/62/564670962.db2.gz ACJRFSSPSSEPBH-GFCCVEGCSA-N 1 0 393.289 2.541 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)[C@@H]2CCc3cc(Br)ccc32)CC12CCOCC2 ZINC000574401388 564672290 /nfs/dbraw/zinc/67/22/90/564672290.db2.gz KOPWWQDAXQETFJ-WMLDXEAASA-N 1 0 393.325 2.693 20 0 GFADRO CC[C@@H](C)[N@H+](C)CCNC(=O)[C@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000524046126 564675868 /nfs/dbraw/zinc/67/58/68/564675868.db2.gz XQHSLJUIIYERMI-KGLIPLIRSA-N 1 0 396.329 2.649 20 0 GFADRO C[C@@H](NC(=O)c1cc2sc3ccccc3c2s1)C(=O)NCC[NH+](C)C ZINC000552081229 564676613 /nfs/dbraw/zinc/67/66/13/564676613.db2.gz BTYGXIWYVQLQHC-LLVKDONJSA-N 1 0 375.519 2.912 20 0 GFADRO C[C@H](Cc1ccc(Br)cc1)[NH2+]C[C@@H]1CCCCN1S(C)(=O)=O ZINC000552097052 564677159 /nfs/dbraw/zinc/67/71/59/564677159.db2.gz RPAZGGMVWCWQIS-CJNGLKHVSA-N 1 0 389.359 2.784 20 0 GFADRO CCCN(C)[C@@H](CNC(=O)C1CCS(=O)(=O)CC1)c1ccc(Cl)cc1 ZINC000552241849 564682849 /nfs/dbraw/zinc/68/28/49/564682849.db2.gz DLGWYKUUKNBTGD-KRWDZBQOSA-N 1 0 386.945 2.664 20 0 GFADRO Cc1ccc(SCC(F)(F)F)c(NC(=O)C(=O)N[C@H](C)C[C@H](C)[NH3+])c1 ZINC000574638634 564682920 /nfs/dbraw/zinc/68/29/20/564682920.db2.gz ZYDHEHGFBSVSDS-WDEREUQCSA-N 1 0 377.432 2.830 20 0 GFADRO C[C@@H](Cc1cccc(Br)c1)NC(=O)NC[C@H]1CCCC[N@@H+]1CCO ZINC000457994456 564683373 /nfs/dbraw/zinc/68/33/73/564683373.db2.gz LKEUOJRWVILCJF-WMLDXEAASA-N 1 0 398.345 2.526 20 0 GFADRO Cc1nc(S(=O)(=O)[N-]C[C@H](C)N2CCCC[C@H]2C)sc1Br ZINC000574711686 564685439 /nfs/dbraw/zinc/68/54/39/564685439.db2.gz FXQBSWAJWLBAGD-ZJUUUORDSA-N 1 0 396.376 2.755 20 0 GFADRO CCC[N@H+](C)C[C@H]1CCN(C(=O)CNC(=O)c2ccc(Cl)cc2Cl)C1 ZINC000524715532 564685656 /nfs/dbraw/zinc/68/56/56/564685656.db2.gz HOELWPMQKLJWME-CYBMUJFWSA-N 1 0 386.323 2.914 20 0 GFADRO C[C@@H]1CC[N@H+](CCNC(=O)[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C1 ZINC000524720025 564686494 /nfs/dbraw/zinc/68/64/94/564686494.db2.gz VCVHCSYINXGSDC-OCCSQVGLSA-N 1 0 384.307 2.804 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2cc3c(cc2Cl)OCCO3)C[C@H]1C ZINC000524872080 564689445 /nfs/dbraw/zinc/68/94/45/564689445.db2.gz OEYIWUXMWCOYEO-OLZOCXBDSA-N 1 0 388.917 2.605 20 0 GFADRO Cc1ncc2c(n1)CC[C@@H]([NH2+]C[C@@H](O)COc1ccc(Cl)cc1Cl)C2 ZINC000575052951 564691420 /nfs/dbraw/zinc/69/14/20/564691420.db2.gz UXMRCYLIFGIJSE-HUUCEWRRSA-N 1 0 382.291 2.979 20 0 GFADRO C[C@@H]([NH3+])C[C@H](C)NC(=O)c1sccc1S(=O)(=O)NC1CCCCCC1 ZINC000575047474 564691665 /nfs/dbraw/zinc/69/16/65/564691665.db2.gz SBQFSMSLEJJWPT-OLZOCXBDSA-N 1 0 387.571 2.605 20 0 GFADRO C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCc1ccc(I)cc1Cl ZINC000487588161 564692108 /nfs/dbraw/zinc/69/21/08/564692108.db2.gz HNEHRKHPRWIPNA-JOYOIKCWSA-N 1 0 392.668 2.759 20 0 GFADRO CC(=O)N[C@@H](CC(=O)N(CC[NH+](C)C)Cc1ccsc1)c1cccs1 ZINC000458205154 564693751 /nfs/dbraw/zinc/69/37/51/564693751.db2.gz RSYAZNYCKAYLMB-INIZCTEOSA-N 1 0 379.551 2.967 20 0 GFADRO COC(=O)CCN(Cc1cccc(Br)c1)C(=O)[C@@H]1C[N@H+](C)C[C@H]1C ZINC000487692567 564694433 /nfs/dbraw/zinc/69/44/33/564694433.db2.gz ILQSSYATBMJTSH-CZUORRHYSA-N 1 0 397.313 2.539 20 0 GFADRO Cc1cc(NC(=O)c2nn(C)cc2Br)ccc1OCC[NH+](C)C ZINC000458209807 564694814 /nfs/dbraw/zinc/69/48/14/564694814.db2.gz LDBDAOLAIPEOOT-UHFFFAOYSA-N 1 0 381.274 2.684 20 0 GFADRO C[N@@H+]1CCC[C@@H](CCNC(=O)Cc2ccccc2I)C1 ZINC000458238057 564695280 /nfs/dbraw/zinc/69/52/80/564695280.db2.gz ZKMYDHOEODKNRH-ZDUSSCGKSA-N 1 0 386.277 2.682 20 0 GFADRO C[N@@H+]1CCC[C@@H](CCNC(=O)c2ccc(F)c(I)c2)C1 ZINC000458238125 564695744 /nfs/dbraw/zinc/69/57/44/564695744.db2.gz ZPTXEWQOXGPRPD-NSHDSACASA-N 1 0 390.240 2.892 20 0 GFADRO CCc1sc(C(=O)NCCC[N@H+](C)CCN(C)C)cc1Br ZINC000552587796 564696068 /nfs/dbraw/zinc/69/60/68/564696068.db2.gz XQPPWNHVTWJMFQ-UHFFFAOYSA-N 1 0 376.364 2.686 20 0 GFADRO CC(C)[NH+]1CCC(N2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)CC1 ZINC000487848248 564697446 /nfs/dbraw/zinc/69/74/46/564697446.db2.gz XPMMHOCZGIWEFK-UHFFFAOYSA-N 1 0 385.961 2.519 20 0 GFADRO O=C(NC1CC1)[C@H]([NH2+]CCCn1cc(Br)cn1)c1ccccc1 ZINC000487971508 564700959 /nfs/dbraw/zinc/70/09/59/564700959.db2.gz WBTFPYJYKOWJSK-MRXNPFEDSA-N 1 0 377.286 2.645 20 0 GFADRO COc1ccc(Cl)cc1C[C@@H]1CCC[N@H+](CCCS(=O)(=O)N(C)C)C1 ZINC000525504277 564702989 /nfs/dbraw/zinc/70/29/89/564702989.db2.gz FYLFKWIOIICMOK-HNNXBMFYSA-N 1 0 388.961 2.885 20 0 GFADRO CC[N@@H+]1CCCN(C(=O)C(=O)N[C@@H](C)Cc2ccc(Cl)cc2Cl)CC1 ZINC000552867723 564703441 /nfs/dbraw/zinc/70/34/41/564703441.db2.gz OLHAAZXIUUHMBJ-ZDUSSCGKSA-N 1 0 386.323 2.595 20 0 GFADRO O=C(CC[N@@H+](CCO)Cc1cccc(Br)c1)Nc1cccnc1 ZINC000488165250 564705096 /nfs/dbraw/zinc/70/50/96/564705096.db2.gz RNTRTTNDKJDTHS-UHFFFAOYSA-N 1 0 378.270 2.667 20 0 GFADRO Cc1nccc(NC(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)c1Br ZINC000525847539 564710087 /nfs/dbraw/zinc/71/00/87/564710087.db2.gz FTYJYVOFCRORMV-AWEZNQCLSA-N 1 0 381.318 2.914 20 0 GFADRO CC[C@H](C)[C@@H]([NH2+]CCNS(=O)(=O)c1cnn(C)c1)c1ccc(Cl)cc1 ZINC000576250201 564710085 /nfs/dbraw/zinc/71/00/85/564710085.db2.gz HXAGPCHFXHWJHA-SUMWQHHRSA-N 1 0 384.933 2.729 20 0 GFADRO CSC1(CNC(=O)NC[C@@H]2CSc3ccccc3O2)CC[NH+](C)CC1 ZINC000576513241 564714301 /nfs/dbraw/zinc/71/43/01/564714301.db2.gz AZZBARUXEJTVQK-CQSZACIVSA-N 1 0 381.567 2.666 20 0 GFADRO CC[NH+](CC)C[C@H](C)NC(=O)N[C@@H](CO)c1ccc(Br)c(F)c1 ZINC000488568474 564714411 /nfs/dbraw/zinc/71/44/11/564714411.db2.gz BBENCWSORCDCIW-NHYWBVRUSA-N 1 0 390.297 2.651 20 0 GFADRO C[C@H]1CC[N@H+](CCNC(=O)c2ccccc2-n2cc(Br)cn2)C1 ZINC000576547905 564715661 /nfs/dbraw/zinc/71/56/61/564715661.db2.gz KJKYQAXOGDHFGS-ZDUSSCGKSA-N 1 0 377.286 2.706 20 0 GFADRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(c2ncc(I)cn2)C1 ZINC000576798901 564719245 /nfs/dbraw/zinc/71/92/45/564719245.db2.gz SSTUUPPDBBAYMX-BZPMIXESSA-N 1 0 386.281 2.923 20 0 GFADRO CCOc1ccc(S(=O)(=O)N2C[C@@H]([NH+]3CCCC3)[C@@H](SC)C2)cc1C ZINC000526085200 564719616 /nfs/dbraw/zinc/71/96/16/564719616.db2.gz BCQJVNRJNCLGPU-AEFFLSMTSA-N 1 0 384.567 2.594 20 0 GFADRO CCC[C@H]1CN(C(=O)Nc2ccnc(C)c2Br)CC[N@@H+]1CCOC ZINC000526098135 564720619 /nfs/dbraw/zinc/72/06/19/564720619.db2.gz UVTISIYYGVDNDF-AWEZNQCLSA-N 1 0 399.333 2.539 20 0 GFADRO O=C(Cc1ccc(I)cc1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000488837605 564721896 /nfs/dbraw/zinc/72/18/96/564721896.db2.gz KYGVDLAESBBFFJ-INIZCTEOSA-N 1 0 398.288 2.921 20 0 GFADRO CSc1ccc([C@H](CNC(=O)NCC[C@@H](O)C(F)(F)F)[NH+](C)C)cc1 ZINC000458902132 564723086 /nfs/dbraw/zinc/72/30/86/564723086.db2.gz SMLGDJCEOFPRAE-UONOGXRCSA-N 1 0 379.448 2.624 20 0 GFADRO CCCC[N@H+](C)CCNC(=O)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000488919550 564723698 /nfs/dbraw/zinc/72/36/98/564723698.db2.gz UHQIYNIQQXVYAR-CQSZACIVSA-N 1 0 396.329 2.650 20 0 GFADRO Cc1nc(CNC(=O)N(C)[C@H]2CC[N@@H+](C)C[C@H]2C)sc1Br ZINC000458932669 564724786 /nfs/dbraw/zinc/72/47/86/564724786.db2.gz RAXLNWJKCNTAFN-KOLCDFICSA-N 1 0 375.336 2.696 20 0 GFADRO Cc1nc(CNC(=O)N2CCC([NH2+]C(C)C)CC2)sc1Br ZINC000458936561 564724868 /nfs/dbraw/zinc/72/48/68/564724868.db2.gz XHLLNSUVBUAVQV-UHFFFAOYSA-N 1 0 375.336 2.886 20 0 GFADRO C[C@@H]1Cc2cc(S(=O)(=O)N3CC[C@@H]([NH+]4CCCC4)[C@@H]3C)cc(Cl)c2O1 ZINC000553557516 564726010 /nfs/dbraw/zinc/72/60/10/564726010.db2.gz HQTFMBJUEFIMPX-IIYDPXPESA-N 1 0 384.929 2.911 20 0 GFADRO Cc1nccc(NC(=O)N(CC[NH+](C)C)Cc2ccco2)c1Br ZINC000527088560 564730107 /nfs/dbraw/zinc/73/01/07/564730107.db2.gz JJNKXMAPZLFPTK-UHFFFAOYSA-N 1 0 381.274 2.763 20 0 GFADRO O=C(c1ncsc1C(F)(F)F)N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000527166541 564732449 /nfs/dbraw/zinc/73/24/49/564732449.db2.gz STWKBQLVYGAERS-LBPRGKRZSA-N 1 0 377.432 2.879 20 0 GFADRO CC(C)[C@@H]1CN(C(=O)Cc2ccc(I)cc2)CC[N@@H+]1C ZINC000489317528 564734950 /nfs/dbraw/zinc/73/49/50/564734950.db2.gz UXJLGTUYKDVBOK-HNNXBMFYSA-N 1 0 386.277 2.632 20 0 GFADRO C[C@@H](O)C[N@@H+]1CCN(Cc2ccc(OC(F)F)c(Br)c2)[C@@H](C)C1 ZINC000577523788 564735948 /nfs/dbraw/zinc/73/59/48/564735948.db2.gz LFMOXYJDHPVYGG-NWDGAFQWSA-N 1 0 393.272 2.937 20 0 GFADRO C[C@@H]1C[C@H]1[N@@H+]1CCN(C(=O)c2[nH]nc(C3CC3)c2Br)C[C@@H](C)C1 ZINC000553785056 564736043 /nfs/dbraw/zinc/73/60/43/564736043.db2.gz SYYRPPCBZUJOTP-DMDPSCGWSA-N 1 0 381.318 2.852 20 0 GFADRO CC(C)[C@@H]1CN(C(=O)c2ccc(F)c(I)c2)CC[N@@H+]1C ZINC000489355896 564736873 /nfs/dbraw/zinc/73/68/73/564736873.db2.gz UKNPPVMAGREDBX-AWEZNQCLSA-N 1 0 390.240 2.843 20 0 GFADRO C[N@@H+]1CCC[C@@H](CCNC(=O)NCCNc2cccc(Br)c2)C1 ZINC000459305395 564738823 /nfs/dbraw/zinc/73/88/23/564738823.db2.gz LOANYMLSSQWIMS-AWEZNQCLSA-N 1 0 383.334 2.892 20 0 GFADRO CS[C@H]1CN(S(=O)(=O)c2ccc(C(F)F)cc2)C[C@@H]1[NH+]1CCCC1 ZINC000553853091 564740357 /nfs/dbraw/zinc/74/03/57/564740357.db2.gz OVBZKHOWZJFVNG-GJZGRUSLSA-N 1 0 376.494 2.825 20 0 GFADRO [NH3+]C[C@H]1CCCC[C@@]12NC(=O)N(Cc1csc(-c3ccsc3)n1)C2=O ZINC000578068340 564740334 /nfs/dbraw/zinc/74/03/34/564740334.db2.gz ZVKWERFFZJPLBA-SJKOYZFVSA-N 1 0 376.507 2.811 20 0 GFADRO CS[C@H]1CN(S(=O)(=O)c2ccc(C(F)F)cc2)C[C@H]1[NH+]1CCCC1 ZINC000553853088 564740789 /nfs/dbraw/zinc/74/07/89/564740789.db2.gz OVBZKHOWZJFVNG-CABCVRRESA-N 1 0 376.494 2.825 20 0 GFADRO CN(CCn1cc(Br)cn1)C(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000578167411 564742079 /nfs/dbraw/zinc/74/20/79/564742079.db2.gz OYBPJUITNIRWTA-UHFFFAOYSA-N 1 0 394.317 2.549 20 0 GFADRO Cc1ccc([C@H](CNC(=O)NCCn2cc(Br)cn2)[NH+](C)C)cc1 ZINC000553873197 564742594 /nfs/dbraw/zinc/74/25/94/564742594.db2.gz VNARBGAXBDGGFF-INIZCTEOSA-N 1 0 394.317 2.556 20 0 GFADRO CCn1nncc1CN(C)Cc1cccc(Br)c1OCC(C)(C)O ZINC000459424475 564743467 /nfs/dbraw/zinc/74/34/67/564743467.db2.gz GJYWBOJHKHTZBQ-UHFFFAOYSA-N 1 0 397.317 2.842 20 0 GFADRO CC(C)[C@@H](C[NH2+]Cc1cn(CC(N)=O)nn1)Cc1ccc(Cl)cc1Cl ZINC000459421151 564744128 /nfs/dbraw/zinc/74/41/28/564744128.db2.gz WJRJNWCTNXXLBW-CYBMUJFWSA-N 1 0 384.311 2.675 20 0 GFADRO CCC[N@H+](CC)C[C@@H](C)NC(=O)C(=O)Nc1ccc(F)c(Br)c1 ZINC000578807601 564744220 /nfs/dbraw/zinc/74/42/20/564744220.db2.gz VYDCAPBAUAZTSA-LLVKDONJSA-N 1 0 388.281 2.763 20 0 GFADRO CC[NH+](CC)[C@@H]1CCN(S(=O)(=O)c2cccc(OC(F)(F)F)c2F)C1 ZINC000489583715 564744791 /nfs/dbraw/zinc/74/47/91/564744791.db2.gz MZDCDRUZAIBITB-LLVKDONJSA-N 1 0 384.395 2.829 20 0 GFADRO C[C@H](CO)[N@H+](C[C@@H](O)COc1cc(F)cc(Br)c1)C1CCCC1 ZINC000553918729 564745346 /nfs/dbraw/zinc/74/53/46/564745346.db2.gz ZZLODFHZGUIXHF-MLGOLLRUSA-N 1 0 390.293 2.953 20 0 GFADRO C[C@@H]1C[C@H](N(C)S(=O)(=O)c2cccc(OC(F)(F)F)c2F)CC[N@@H+]1C ZINC000489607187 564745636 /nfs/dbraw/zinc/74/56/36/564745636.db2.gz FNVWHZFZROVBPL-GHMZBOCLSA-N 1 0 384.395 2.828 20 0 GFADRO CCOC1CC([N@H+](C)CC(=O)N(C)Cc2cc(Br)cs2)C1 ZINC000553949685 564746383 /nfs/dbraw/zinc/74/63/83/564746383.db2.gz AGBOOYMVUQJYIR-UHFFFAOYSA-N 1 0 375.332 2.968 20 0 GFADRO CN(C)S(=O)(=O)[C@@H]1C[N@H+](CC2CCC(F)(F)CC2)C[C@H]1C(F)(F)F ZINC000459484854 564747126 /nfs/dbraw/zinc/74/71/26/564747126.db2.gz NUVTXYJRCCEZNV-VXGBXAGGSA-N 1 0 378.407 2.566 20 0 GFADRO CN(CC[N@H+](C)CC1CCC(F)(F)CC1)c1ccc(S(N)(=O)=O)cc1 ZINC000459507195 564748146 /nfs/dbraw/zinc/74/81/46/564748146.db2.gz JFFPGEVURHKGFF-UHFFFAOYSA-N 1 0 375.485 2.528 20 0 GFADRO O=C(c1cc([C@@H]2CC[NH2+]C2)n[nH]1)N1CCc2ccc(F)c(Br)c2C1 ZINC000527617347 564750272 /nfs/dbraw/zinc/75/02/72/564750272.db2.gz HBPHGZUPLNPYNW-LLVKDONJSA-N 1 0 393.260 2.587 20 0 GFADRO OC[C@@H](C[NH2+]C1CCN(C2CC2)CC1)Cc1cc(Br)ccc1F ZINC000459568848 564751478 /nfs/dbraw/zinc/75/14/78/564751478.db2.gz KFRLQMGGTDSWNX-CYBMUJFWSA-N 1 0 385.321 2.956 20 0 GFADRO CNC(=O)[C@H](CCSC)[NH2+][C@@H](C)c1ccc(I)cc1 ZINC000489763442 564751545 /nfs/dbraw/zinc/75/15/45/564751545.db2.gz FYRJXXLBQVDMJH-GWCFXTLKSA-N 1 0 392.306 2.810 20 0 GFADRO C[N@@H+]1CCC[C@]2(CCN(C(=O)Nc3ccc(Cl)c(S(C)(=O)=O)c3)C2)C1 ZINC000579802128 564752271 /nfs/dbraw/zinc/75/22/71/564752271.db2.gz BSPKLTJREQPHLB-KRWDZBQOSA-N 1 0 385.917 2.693 20 0 GFADRO C[C@@H]1C[C@@H]1N1C[C@@H]([NH2+]Cc2c[nH]nc2-c2ccc(Br)s2)CC1=O ZINC000527665671 564754155 /nfs/dbraw/zinc/75/41/55/564754155.db2.gz HPKITGMRLSYXFQ-USWWRNFRSA-N 1 0 395.326 3.000 20 0 GFADRO COc1c[nH+]ccc1N1CCN([C@@H](C)c2ncc(Br)cn2)CC1 ZINC000554250400 564754981 /nfs/dbraw/zinc/75/49/81/564754981.db2.gz UVMARPKSQMZERH-LBPRGKRZSA-N 1 0 378.274 2.526 20 0 GFADRO [NH3+]CC[C@@H]1CCCCN1C(=O)c1c(F)cccc1I ZINC000580304123 564755144 /nfs/dbraw/zinc/75/51/44/564755144.db2.gz ZGXYGBOLQNKZMK-JTQLQIEISA-N 1 0 376.213 2.774 20 0 GFADRO Fc1ccc(C[NH2+]CC2(N3CCOCC3)CCOCC2)cc1Br ZINC000459684752 564756521 /nfs/dbraw/zinc/75/65/21/564756521.db2.gz DVSKGYQPUAZKIO-UHFFFAOYSA-N 1 0 387.293 2.559 20 0 GFADRO CN(CCC[NH+]1CCCC1)S(=O)(=O)c1cccc(OC(F)(F)F)c1F ZINC000489889694 564756705 /nfs/dbraw/zinc/75/67/05/564756705.db2.gz XQUZTRWEYQZDBR-UHFFFAOYSA-N 1 0 384.395 2.831 20 0 GFADRO OCCN1CCCC[C@@H]1C[NH2+]Cc1c[nH]nc1-c1ccc(Br)s1 ZINC000527711907 564757110 /nfs/dbraw/zinc/75/71/10/564757110.db2.gz BUHCZDFAEFGAGQ-CYBMUJFWSA-N 1 0 399.358 2.837 20 0 GFADRO CC(C)NS(=O)(=O)c1cccc(C[NH2+][C@@H]2CCO[C@H](C(F)(F)F)C2)c1 ZINC000554348723 564757737 /nfs/dbraw/zinc/75/77/37/564757737.db2.gz FBTLXBQPGDHLIY-HIFRSBDPSA-N 1 0 380.432 2.573 20 0 GFADRO Cc1cc(Br)ccc1C[NH2+]CC1(N2CCOCC2)CCOCC1 ZINC000459723673 564758887 /nfs/dbraw/zinc/75/88/87/564758887.db2.gz YBIFOVZOJCIQLW-UHFFFAOYSA-N 1 0 383.330 2.729 20 0 GFADRO COc1cc(Br)c(C[NH2+]C2(CO)CCSCC2)cc1OC ZINC000459727771 564759699 /nfs/dbraw/zinc/75/96/99/564759699.db2.gz NCRCGGKMMSVLCG-UHFFFAOYSA-N 1 0 376.316 2.814 20 0 GFADRO OC[C@@]1([NH2+]Cc2cccc(I)c2)COc2ccccc2C1 ZINC000527770408 564760788 /nfs/dbraw/zinc/76/07/88/564760788.db2.gz VFLNWEKMKFAUIA-QGZVFWFLSA-N 1 0 395.240 2.747 20 0 GFADRO CC[C@@H]1OCC[C@H]1[NH2+]CC(=O)Nc1c(Cl)cc(Cl)cc1C(=O)OC ZINC000459778037 564761021 /nfs/dbraw/zinc/76/10/21/564761021.db2.gz OYVXZFJCBNSZDG-OLZOCXBDSA-N 1 0 375.252 2.876 20 0 GFADRO COCCOc1ccc(C[N@H+](C)CCn2cc(Br)cn2)cc1OC ZINC000580499261 564761310 /nfs/dbraw/zinc/76/13/10/564761310.db2.gz UOOPWYUQLHRJSF-UHFFFAOYSA-N 1 0 398.301 2.811 20 0 GFADRO C[N@@H+]1CCC[C@H](CNC(=O)NCc2ccc(Br)c(F)c2F)C1 ZINC000527799610 564761796 /nfs/dbraw/zinc/76/17/96/564761796.db2.gz KNQZHTOHVWFNDM-SNVBAGLBSA-N 1 0 376.245 2.868 20 0 GFADRO CO[C@@H]1COC[C@@H]1[NH2+]CCCC(=O)Nc1c(C)cc(Br)cc1C ZINC000459833077 564762055 /nfs/dbraw/zinc/76/20/55/564762055.db2.gz UGRICODWQBIKRF-LSDHHAIUSA-N 1 0 385.302 2.788 20 0 GFADRO Cc1nc(N(C)C)nc(N(CC[NH+](C)C)Cc2ccc(Br)cc2)n1 ZINC000490078419 564762380 /nfs/dbraw/zinc/76/23/80/564762380.db2.gz HGPFUQNSILCSBR-UHFFFAOYSA-N 1 0 393.333 2.577 20 0 GFADRO O=C(NC[C@H]1[NH2+]CCc2ccccc21)[C@H]1COc2ccc(Br)cc21 ZINC000580542706 564762813 /nfs/dbraw/zinc/76/28/13/564762813.db2.gz PIKHGBKERUVEAV-DLBZAZTESA-N 1 0 387.277 2.928 20 0 GFADRO CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N(CC)Cc2ccc(Cl)s2)C1 ZINC000459852007 564762977 /nfs/dbraw/zinc/76/29/77/564762977.db2.gz AXELRUMYVNZTNG-CQSZACIVSA-N 1 0 385.961 2.940 20 0 GFADRO CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000459856405 564763823 /nfs/dbraw/zinc/76/38/23/564763823.db2.gz MBXRXPKRHSGEBV-AWEZNQCLSA-N 1 0 383.945 2.837 20 0 GFADRO [NH3+]CC[C@H](NC(=O)c1cnn(-c2ncccc2Cl)c1C(F)F)C(F)F ZINC000580562629 564765001 /nfs/dbraw/zinc/76/50/01/564765001.db2.gz TUIVSOYNONEECO-VIFPVBQESA-N 1 0 379.745 2.571 20 0 GFADRO C[C@H]([NH2+]C[C@H](O)[C@@H]1CCCO1)c1ccc(F)c(I)c1 ZINC000527953150 564765252 /nfs/dbraw/zinc/76/52/52/564765252.db2.gz KCQHPKBOWOCXNI-HERUPUMHSA-N 1 0 379.213 2.621 20 0 GFADRO CC(=O)Nc1cccc([C@@H](C)[NH2+]Cc2ccc(S(N)(=O)=O)c(Cl)c2)c1 ZINC000580600507 564765696 /nfs/dbraw/zinc/76/56/96/564765696.db2.gz MHYAGFSMWIVLQD-LLVKDONJSA-N 1 0 381.885 2.797 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)C(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000580577764 564765997 /nfs/dbraw/zinc/76/59/97/564765997.db2.gz SLWVEZRXOWKYDS-GOSISDBHSA-N 1 0 394.313 2.640 20 0 GFADRO CN(CCC[NH+]1CCCC1)C(=O)C(=O)N(C)Cc1c(Cl)cccc1Cl ZINC000459957096 564766122 /nfs/dbraw/zinc/76/61/22/564766122.db2.gz GRHVJHOOIYNLQZ-UHFFFAOYSA-N 1 0 386.323 2.896 20 0 GFADRO C[C@H]1CC[N@H+](CC(=O)N2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)C1 ZINC000554597718 564767682 /nfs/dbraw/zinc/76/76/82/564767682.db2.gz VWHYTJSHYCZZQM-ZDUSSCGKSA-N 1 0 384.307 2.620 20 0 GFADRO O=S(=O)(N[C@@H]1CC[NH2+]C12CCC2)c1cccc(Br)c1Cl ZINC000528051446 564768222 /nfs/dbraw/zinc/76/82/22/564768222.db2.gz KLEKWZUOBQVBGQ-LLVKDONJSA-N 1 0 379.707 2.665 20 0 GFADRO CC(C)[C@@H]1C[NH2+]CCN1S(=O)(=O)c1cccc(Br)c1Cl ZINC000528048662 564768402 /nfs/dbraw/zinc/76/84/02/564768402.db2.gz LFTBNLQMKNBFGR-NSHDSACASA-N 1 0 381.723 2.721 20 0 GFADRO Cc1nc(CNC(=O)N[C@H](c2nccn2C)C2CC2)sc1Br ZINC000580697417 564769125 /nfs/dbraw/zinc/76/91/25/564769125.db2.gz NGTPKHJRUVFNBE-NSHDSACASA-N 1 0 384.303 2.898 20 0 GFADRO C[C@H](NC1CC[NH+](Cc2ccncc2)CC1)c1ncc(Br)cn1 ZINC000580729376 564771325 /nfs/dbraw/zinc/77/13/25/564771325.db2.gz ZJDUHXGZCVOSQJ-ZDUSSCGKSA-N 1 0 376.302 2.949 20 0 GFADRO CN(C(=O)Cc1cc2c(cc1Br)OCCO2)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000580834068 564776658 /nfs/dbraw/zinc/77/66/58/564776658.db2.gz RGGWNOFTCFLORP-PBWFPOADSA-N 1 0 395.297 2.504 20 0 GFADRO C[NH+]1CCN(c2ccc(Br)cc2NC(=O)[C@@H]2C[C@@]23CCOC3)CC1 ZINC000460752976 564780227 /nfs/dbraw/zinc/78/02/27/564780227.db2.gz BVFGIEKUOKDWNF-KBXCAEBGSA-N 1 0 394.313 2.566 20 0 GFADRO FC(F)(F)CN1CC[C@@H]([NH2+]Cc2cn3ccc(Br)cc3n2)C1 ZINC000554978896 564780390 /nfs/dbraw/zinc/78/03/90/564780390.db2.gz PRBLUVBLEZCAQB-LLVKDONJSA-N 1 0 377.208 2.823 20 0 GFADRO O=C1C[C@H]([C@H]2CCCC[N@H+]2Cc2ccc(I)cc2)CN1 ZINC000490696779 564780555 /nfs/dbraw/zinc/78/05/55/564780555.db2.gz JUDWHJPFJCCJLM-DZGCQCFKSA-N 1 0 384.261 2.782 20 0 GFADRO C[C@H](c1ccc(Br)cc1)N1CC[NH+](C[C@H](O)CC2(O)CCC2)CC1 ZINC000528390569 564781779 /nfs/dbraw/zinc/78/17/79/564781779.db2.gz NKSAPJPFKJPFFP-CRAIPNDOSA-N 1 0 397.357 2.794 20 0 GFADRO O=C(NCCC[NH+]1CCCC1)Nc1ccc2nccnc2c1Br ZINC000490815860 564782320 /nfs/dbraw/zinc/78/23/20/564782320.db2.gz SPNQZUXBWXCXRI-UHFFFAOYSA-N 1 0 378.274 3.000 20 0 GFADRO C[N@H+](CC(=O)N1CCC(n2ccc(C(F)(F)F)n2)CC1)[C@H]1CCSC1 ZINC000491002644 564783882 /nfs/dbraw/zinc/78/38/82/564783882.db2.gz UHINKYLWVOFSMS-ZDUSSCGKSA-N 1 0 376.448 2.503 20 0 GFADRO C[C@@H](CNC(=O)[C@@H]([NH3+])Cc1ccccc1)Oc1ccc(Br)cc1 ZINC000490977356 564784044 /nfs/dbraw/zinc/78/40/44/564784044.db2.gz XSCKJLLYWWZIFR-GUYCJALGSA-N 1 0 377.282 2.903 20 0 GFADRO CCCN(CC[NH+](CC)CC)S(=O)(=O)c1cncc(Br)c1 ZINC000460922075 564784497 /nfs/dbraw/zinc/78/44/97/564784497.db2.gz ALYXWKCSQXZTPD-UHFFFAOYSA-N 1 0 378.336 2.587 20 0 GFADRO CCN1C[C@H](C)N(C(=O)C(=O)N[C@H](C)c2ccc(Br)cc2)C[C@@H]1C ZINC000581084521 564787062 /nfs/dbraw/zinc/78/70/62/564787062.db2.gz HWMCBMIVGVQCEG-MELADBBJSA-N 1 0 396.329 2.567 20 0 GFADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)[C@@H]1C[C@]12CCOC2 ZINC000460983522 564787593 /nfs/dbraw/zinc/78/75/93/564787593.db2.gz SVDZCDVYVFYTGD-WMZOPIPTSA-N 1 0 381.314 2.766 20 0 GFADRO O=C(NCC[NH+]1CCCCC1)N[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000491207310 564788399 /nfs/dbraw/zinc/78/83/99/564788399.db2.gz KBYHTDAXVPRIEL-MRXNPFEDSA-N 1 0 395.345 2.813 20 0 GFADRO C[C@]1(Br)C[C@@H]1C(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000528528080 564790524 /nfs/dbraw/zinc/79/05/24/564790524.db2.gz RVBWSEZNAGMLPQ-AEFFLSMTSA-N 1 0 381.314 2.951 20 0 GFADRO C[N@@H+]1C[C@H](NC(=O)Cc2ccc(Br)cc2O)[C@H](c2ccccc2)C1 ZINC000491683931 564795016 /nfs/dbraw/zinc/79/50/16/564795016.db2.gz DCFDIGIVBPHQRK-IRXDYDNUSA-N 1 0 389.293 2.911 20 0 GFADRO COc1cc(C[NH2+][C@@H]2CCO[C@@H](c3ccnn3C)C2)cc(Br)c1O ZINC000581291124 564796413 /nfs/dbraw/zinc/79/64/13/564796413.db2.gz HUTYVMRDTCHPRP-IUODEOHRSA-N 1 0 396.285 2.907 20 0 GFADRO Cc1cc(Br)cc2c1[C@@H]([NH2+]C1CCN(S(C)(=O)=O)CC1)CC2 ZINC000492057285 564797412 /nfs/dbraw/zinc/79/74/12/564797412.db2.gz AGUINCHFZYKHBX-HNNXBMFYSA-N 1 0 387.343 2.758 20 0 GFADRO CN(C)S(=O)(=O)CCC[N@@H+]1CCC[C@@H]1c1ccc(Br)cc1 ZINC000492195231 564799864 /nfs/dbraw/zinc/79/98/64/564799864.db2.gz NPCSSTJHJNWOIL-OAHLLOKOSA-N 1 0 375.332 2.868 20 0 GFADRO CCCN(CC[NH+](CC)CC)C(=O)CNC(=O)c1cccc(Br)c1 ZINC000461725074 564803098 /nfs/dbraw/zinc/80/30/98/564803098.db2.gz ITDHADKQTRVWBA-UHFFFAOYSA-N 1 0 398.345 2.759 20 0 GFADRO Cc1cc(Br)cn2cc(CNC(=O)NC[C@]3(C)CCC[NH2+]C3)nc12 ZINC000581478118 564804461 /nfs/dbraw/zinc/80/44/61/564804461.db2.gz GACXSOKWSLRRGT-QGZVFWFLSA-N 1 0 394.317 2.594 20 0 GFADRO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C(=O)NCCC[NH+]1CCCCC1 ZINC000555757047 564804493 /nfs/dbraw/zinc/80/44/93/564804493.db2.gz DEAVBUCFFHSNCQ-UHFFFAOYSA-N 1 0 386.323 2.944 20 0 GFADRO C[C@@H]1C[N@@H+](CCC2CCN(C(=O)[C@@H]3C[C@@]3(C)Br)CC2)C[C@H](C)O1 ZINC000528800548 564806035 /nfs/dbraw/zinc/80/60/35/564806035.db2.gz SVTSLTDJZVRBQK-JSSFPYSZSA-N 1 0 387.362 2.898 20 0 GFADRO CCC[C@@H]1CN(C(=O)c2cc(O)cc(Br)c2)CC[N@@H+]1CCOC ZINC000528938761 564810965 /nfs/dbraw/zinc/81/09/65/564810965.db2.gz KPXLNAVQUMKBSJ-OAHLLOKOSA-N 1 0 385.302 2.728 20 0 GFADRO COC(=O)[C@H](NC(=O)c1ccc2c[nH+]cn2c1)c1ccc(Br)cc1 ZINC000581614242 564811182 /nfs/dbraw/zinc/81/11/82/564811182.db2.gz XGNOIMCDJYSVHN-OAHLLOKOSA-N 1 0 388.221 2.741 20 0 GFADRO COC(=O)c1cc(Br)cc(C(=O)NCC[N@H+](C)C2CCCC2)c1 ZINC000462024455 564811519 /nfs/dbraw/zinc/81/15/19/564811519.db2.gz DPCUTPOVNHCDQR-UHFFFAOYSA-N 1 0 383.286 2.840 20 0 GFADRO CC[NH+](CC)[C@H](CNC(=O)C(=O)N1C[C@H](C)S[C@@H](C)C1)c1ccsc1 ZINC000556058354 564811471 /nfs/dbraw/zinc/81/14/71/564811471.db2.gz GBQZDSDFCDGDQS-OFQRWUPVSA-N 1 0 383.583 2.600 20 0 GFADRO Cc1nc(C(F)(F)F)sc1C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000462026289 564812057 /nfs/dbraw/zinc/81/20/57/564812057.db2.gz MGOMILABAJYDLS-UHFFFAOYSA-N 1 0 377.432 2.845 20 0 GFADRO CSC[C@@H](O)C[N@H+](C)Cc1cccc(NS(=O)(=O)c2ccccc2)c1 ZINC000493905566 564812557 /nfs/dbraw/zinc/81/25/57/564812557.db2.gz IJSXCLYEYGFFOD-KRWDZBQOSA-N 1 0 380.535 2.643 20 0 GFADRO COc1cc2[nH+]ccc(N[C@H]3CCC(=O)N[C@H]3C3CC3)c2cc1Br ZINC000581663366 564812612 /nfs/dbraw/zinc/81/26/12/564812612.db2.gz TXWDWOPIEZCBFJ-KSSFIOAISA-N 1 0 390.281 2.897 20 0 GFADRO COCC(C)(C)C[NH2+]CCCNC(=O)c1cc(OC)ccc1Br ZINC000494027400 564815950 /nfs/dbraw/zinc/81/59/50/564815950.db2.gz MKPWTWSWGHWMQZ-UHFFFAOYSA-N 1 0 387.318 2.840 20 0 GFADRO COCCOc1ccc(C[NH2+][C@@H](C)Cn2cc(Br)ccc2=O)cc1 ZINC000556236123 564816292 /nfs/dbraw/zinc/81/62/92/564816292.db2.gz NNDONGWXKYXFSE-AWEZNQCLSA-N 1 0 395.297 2.814 20 0 GFADRO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+][C@H]2CCOC3(CCSCC3)C2)cc1 ZINC000581742891 564816510 /nfs/dbraw/zinc/81/65/10/564816510.db2.gz VPZVSDGRJMKZDR-ZBFHGGJFSA-N 1 0 384.567 2.690 20 0 GFADRO CC[C@H](C)[N@H+](C)CCNS(=O)(=O)CCc1ccccc1Br ZINC000462081898 564816912 /nfs/dbraw/zinc/81/69/12/564816912.db2.gz AJRJXLGDHQAYBO-ZDUSSCGKSA-N 1 0 377.348 2.641 20 0 GFADRO O=C(NCCOc1ccc(Br)cc1)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000581776849 564818028 /nfs/dbraw/zinc/81/80/28/564818028.db2.gz YKSQHMHDOGSTBD-CABCVRRESA-N 1 0 396.329 2.859 20 0 GFADRO CC(C)c1ccc(Cl)c(S(=O)(=O)NCCCC[N@@H+]2CCC[C@H]2CO)c1 ZINC000556363452 564820683 /nfs/dbraw/zinc/82/06/83/564820683.db2.gz HLEZEWXYVHQERB-INIZCTEOSA-N 1 0 388.961 2.979 20 0 GFADRO C[N@@H+](Cc1ccc(Br)c(F)c1)C[C@@H](O)COC1CCOCC1 ZINC000494293310 564821878 /nfs/dbraw/zinc/82/18/78/564821878.db2.gz OASLAUIGKBIAQU-CYBMUJFWSA-N 1 0 376.266 2.577 20 0 GFADRO Cc1c(Br)cc(C[NH2+]CC(=O)NC2CC2)cc1Br ZINC000556387997 564822396 /nfs/dbraw/zinc/82/23/96/564822396.db2.gz XCGAZWGUFGGTIV-UHFFFAOYSA-N 1 0 376.092 2.888 20 0 GFADRO C[C@@H]1CN(C(=O)N[C@@H](c2cncc(Br)c2)C2CC2)C[C@@]1(C)C[NH3+] ZINC000581933331 564823542 /nfs/dbraw/zinc/82/35/42/564823542.db2.gz LUUVIMHHVNDSHU-RGYTYGDFSA-N 1 0 381.318 2.922 20 0 GFADRO COC[C@H](C)OC[C@@H](O)C[NH2+]CC1(c2ccc(Br)cc2)CCC1 ZINC000581938835 564823971 /nfs/dbraw/zinc/82/39/71/564823971.db2.gz WRLKHSIAAGSTIT-YOEHRIQHSA-N 1 0 386.330 2.873 20 0 GFADRO O=C(C1CC[NH+]([C@@H]2CCSC2)CC1)N(C[C@@H]1CCCO1)[C@@H]1CCSC1 ZINC000581952374 564825007 /nfs/dbraw/zinc/82/50/07/564825007.db2.gz IYRXCSKFIADJSQ-KURKYZTESA-N 1 0 384.611 2.717 20 0 GFADRO Cc1sc(CNC(=O)NC[C@@H]2COCC[NH2+]2)nc1-c1ccc(Cl)cc1 ZINC000529300702 564828183 /nfs/dbraw/zinc/82/81/83/564828183.db2.gz WTBGAPRNHQGPHN-CQSZACIVSA-N 1 0 380.901 2.560 20 0 GFADRO O=c1cc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCCO2)nc2ccc(Br)cn12 ZINC000556520863 564829023 /nfs/dbraw/zinc/82/90/23/564829023.db2.gz OZUDQNXYEJXZJH-CABCVRRESA-N 1 0 378.270 2.600 20 0 GFADRO O=c1cc(C[N@@H+]2CCC[C@@H]2[C@H]2CCCO2)nc2ccc(Br)cn12 ZINC000556520881 564829167 /nfs/dbraw/zinc/82/91/67/564829167.db2.gz OZUDQNXYEJXZJH-HUUCEWRRSA-N 1 0 378.270 2.600 20 0 GFADRO CC[N@@H+]1C[C@H](C)N(C(=O)c2cc(Br)cc(C(=O)OC)c2)C[C@@H]1C ZINC000462264687 564829918 /nfs/dbraw/zinc/82/99/18/564829918.db2.gz BFPKMNRDZGEBBG-RYUDHWBXSA-N 1 0 383.286 2.790 20 0 GFADRO O=C(NCc1cc(F)c(Br)cc1F)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000529340978 564830574 /nfs/dbraw/zinc/83/05/74/564830574.db2.gz SHFPKNYHHZZANB-XHDPSFHLSA-N 1 0 388.256 2.915 20 0 GFADRO COC(=O)c1cc(NC(=O)NCC[N@H+]2CC=CCC2)c(C)cc1Br ZINC000494472507 564831625 /nfs/dbraw/zinc/83/16/25/564831625.db2.gz LVXCRCJCMXJSKT-UHFFFAOYSA-N 1 0 396.285 2.928 20 0 GFADRO O=C(NC[C@H]1COCC[NH2+]1)N1CCCC[C@H]1Cc1ccccc1Br ZINC000529375076 564831964 /nfs/dbraw/zinc/83/19/64/564831964.db2.gz BRMYHYSXSRJLJJ-HOTGVXAUSA-N 1 0 396.329 2.544 20 0 GFADRO CC1(c2cccc(Br)c2)CCN(C(=O)NC[C@H]2COCC[NH2+]2)CC1 ZINC000529379467 564832757 /nfs/dbraw/zinc/83/27/57/564832757.db2.gz WWEKLNMDZWRSGH-INIZCTEOSA-N 1 0 396.329 2.501 20 0 GFADRO COCC[N@@H+]1CC[C@@H](NC(=O)Nc2ccc(Br)c(C3CC3)n2)C1 ZINC000556662634 564833815 /nfs/dbraw/zinc/83/38/15/564833815.db2.gz OQNRKYTWXVWHPG-GFCCVEGCSA-N 1 0 383.290 2.564 20 0 GFADRO O=S(=O)(c1ccc(Br)c(F)c1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000462333792 564834534 /nfs/dbraw/zinc/83/45/34/564834534.db2.gz KPCFZSPUDHJYTB-LBPRGKRZSA-N 1 0 391.306 2.695 20 0 GFADRO Cc1cccc(CC(=O)N2CCOC[C@@H]2[C@H]2CCC[N@H+]2C)c1Br ZINC000529425143 564835056 /nfs/dbraw/zinc/83/50/56/564835056.db2.gz NXHUDGQTHVSYFH-HZPDHXFCSA-N 1 0 381.314 2.622 20 0 GFADRO CC[NH+]1CCC(N[C@H]2CCN(c3ccc(Br)c(C)c3)C2=O)CC1 ZINC000462354912 564835529 /nfs/dbraw/zinc/83/55/29/564835529.db2.gz GKQUHBSDZHSWCF-KRWDZBQOSA-N 1 0 380.330 2.937 20 0 GFADRO Cc1cc(S(=O)(=O)NCC[NH2+][C@@H]2CCc3ccccc3OC2)c(C)s1 ZINC000494633904 564836319 /nfs/dbraw/zinc/83/63/19/564836319.db2.gz GZOFSNMUQGGWRJ-MRXNPFEDSA-N 1 0 380.535 2.627 20 0 GFADRO C[C@@H]1CN(C2CC2)C[C@H]1[NH2+]CCCNC(=O)c1ccc(Br)cc1 ZINC000494698280 564837425 /nfs/dbraw/zinc/83/74/25/564837425.db2.gz UXJBXHHUQPBMET-CXAGYDPISA-N 1 0 380.330 2.641 20 0 GFADRO C[C@@H](NC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1)c1ncc(Br)cn1 ZINC000556756635 564838440 /nfs/dbraw/zinc/83/84/40/564838440.db2.gz IQLJLISZJPDSFN-HIFRSBDPSA-N 1 0 396.333 2.960 20 0 GFADRO CC[NH+]1CCN([C@@H]2CCN(Cc3ncc(Cl)cc3Br)C2)CC1 ZINC000529527443 564840066 /nfs/dbraw/zinc/84/00/66/564840066.db2.gz CNUATGHYNFRJDW-CQSZACIVSA-N 1 0 387.753 2.709 20 0 GFADRO O=C(NCCN1C[C@H]2CC[C@@H](C1)O2)Nc1cc(Cl)ccc1OC(F)F ZINC000582297598 564840186 /nfs/dbraw/zinc/84/01/86/564840186.db2.gz KXUORBXNZJPRKE-TXEJJXNPSA-N 1 0 375.803 2.926 20 0 GFADRO COCCN(Cc1ccc(Br)s1)C(=O)NCC[N@H+](C)C1CC1 ZINC000494815353 564841261 /nfs/dbraw/zinc/84/12/61/564841261.db2.gz GSTKULGSVGRJSY-UHFFFAOYSA-N 1 0 390.347 2.763 20 0 GFADRO CCCOc1ccc(Br)cc1C[NH2+][C@@H](CC(N)=O)C1CCOCC1 ZINC000462465271 564841507 /nfs/dbraw/zinc/84/15/07/564841507.db2.gz RKPHCCUWKQBEEZ-INIZCTEOSA-N 1 0 399.329 2.998 20 0 GFADRO CCC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(Br)cc(C(=O)OC)c1 ZINC000462458731 564841817 /nfs/dbraw/zinc/84/18/17/564841817.db2.gz KTKRFXMBHPWVGO-HNNXBMFYSA-N 1 0 383.286 2.840 20 0 GFADRO COCCN(Cc1ccc(Br)s1)C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000494839209 564842076 /nfs/dbraw/zinc/84/20/76/564842076.db2.gz UKUAWZZGAPPYKI-LBPRGKRZSA-N 1 0 390.347 2.763 20 0 GFADRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)Nc2cc(Cl)c(F)c(Cl)c2)C1 ZINC000494873742 564842718 /nfs/dbraw/zinc/84/27/18/564842718.db2.gz ZEHROVUZLQFCKQ-JTQLQIEISA-N 1 0 391.274 2.841 20 0 GFADRO O=C(c1cc(I)ccc1Cl)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000494873434 564842998 /nfs/dbraw/zinc/84/29/98/564842998.db2.gz KFJXWSWLGABCTI-RNCFNFMXSA-N 1 0 390.652 2.769 20 0 GFADRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)Nc2cc(Cl)c(F)c(Cl)c2)C1 ZINC000494873743 564843094 /nfs/dbraw/zinc/84/30/94/564843094.db2.gz ZEHROVUZLQFCKQ-SNVBAGLBSA-N 1 0 391.274 2.841 20 0 GFADRO O=C(c1cc(I)ccc1Cl)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000494873436 564843169 /nfs/dbraw/zinc/84/31/69/564843169.db2.gz KFJXWSWLGABCTI-ZANVPECISA-N 1 0 390.652 2.769 20 0 GFADRO Brc1c[nH]c(-c2nnc(N3CC[NH+](C4CC4)CC3)n2C2CC2)c1 ZINC000582366353 564843547 /nfs/dbraw/zinc/84/35/47/564843547.db2.gz NCAXYIHDBILQLB-UHFFFAOYSA-N 1 0 377.290 2.655 20 0 GFADRO O=S(=O)(c1cc(F)c(F)c(F)c1)N1CCC(C[NH+]2CCCCC2)CC1 ZINC000462503582 564844371 /nfs/dbraw/zinc/84/43/71/564844371.db2.gz KVBHUEJKQWZEEN-UHFFFAOYSA-N 1 0 376.444 2.991 20 0 GFADRO C[C@H](CNS(=O)(=O)c1ccc(Br)c(F)c1)[NH+]1CCC(C)CC1 ZINC000462510426 564844667 /nfs/dbraw/zinc/84/46/67/564844667.db2.gz LNCTXSSQAHEKJX-GFCCVEGCSA-N 1 0 393.322 2.987 20 0 GFADRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1cc(Br)cnc1OCC1CC1 ZINC000556898483 564845994 /nfs/dbraw/zinc/84/59/94/564845994.db2.gz GGDLDRSBFVQXEE-ZBEGNZNMSA-N 1 0 394.313 2.845 20 0 GFADRO C[C@](O)(C[NH2+]C[C@H](CO)Cc1ccc(OC(F)(F)F)cc1)C(F)(F)F ZINC000582421108 564846506 /nfs/dbraw/zinc/84/65/06/564846506.db2.gz WXROOGAKLZWPGD-YPMHNXCESA-N 1 0 375.309 2.639 20 0 GFADRO C[C@@H](C(=O)N1CC[N@H+](CC(C)(C)O)C[C@@H]1C)c1cccc(Br)c1 ZINC000462543785 564846549 /nfs/dbraw/zinc/84/65/49/564846549.db2.gz LPASSAFCJPFYSP-UONOGXRCSA-N 1 0 383.330 2.856 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CC[NH2+][C@@H]1CCC(=O)NC1(C)C ZINC000495055736 564847681 /nfs/dbraw/zinc/84/76/81/564847681.db2.gz AGHCHMQPZMTIQU-CQSZACIVSA-N 1 0 382.302 2.733 20 0 GFADRO CS[C@@H]1CN(C(=O)Cc2c[nH]c3cc(Br)ccc23)C[C@@H]1[NH+](C)C ZINC000495551315 564854927 /nfs/dbraw/zinc/85/49/27/564854927.db2.gz XBEIDVHAAOVCTO-JKSUJKDBSA-N 1 0 396.354 2.977 20 0 GFADRO COCC[NH+](CCOC)C1CCN(C(=O)c2cccc(Br)c2)CC1 ZINC000557125773 564855004 /nfs/dbraw/zinc/85/50/04/564855004.db2.gz GWRJJFFACNTPPK-UHFFFAOYSA-N 1 0 399.329 2.649 20 0 GFADRO CS[C@H]1CN(C(=O)Cc2ccc(Br)c(F)c2)C[C@@H]1[NH+](C)C ZINC000495697761 564855522 /nfs/dbraw/zinc/85/55/22/564855522.db2.gz YEYKJHIKYUAVDP-KBPBESRZSA-N 1 0 375.307 2.635 20 0 GFADRO COc1ccc(Br)c(CC(=O)N2C[C@@H](SC)[C@@H]([NH+](C)C)C2)c1 ZINC000495606032 564855759 /nfs/dbraw/zinc/85/57/59/564855759.db2.gz HZRZGVNLYFTHBE-LSDHHAIUSA-N 1 0 387.343 2.504 20 0 GFADRO C[C@H](C[NH3+])CNC(=O)NCCOc1ccc2cc(Br)ccc2c1 ZINC000582655308 564856608 /nfs/dbraw/zinc/85/66/08/564856608.db2.gz IAXBUBQUWBTAPA-GFCCVEGCSA-N 1 0 380.286 2.875 20 0 GFADRO CC1([NH+]2CCOCC2)CCN(C(=O)Cc2ccc(F)c(Br)c2)CC1 ZINC000529914433 564857211 /nfs/dbraw/zinc/85/72/11/564857211.db2.gz RKTTWPSEFZYRQN-UHFFFAOYSA-N 1 0 399.304 2.844 20 0 GFADRO O=C(N[C@@H]1CSc2ccc(Br)cc21)N[C@@H]1C[NH2+]CCC1(F)F ZINC000557199717 564857538 /nfs/dbraw/zinc/85/75/38/564857538.db2.gz DXCWJQZWEJYORY-ZYHUDNBSSA-N 1 0 392.269 2.892 20 0 GFADRO C[C@H](NC(=O)C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2)c1cc(Cl)ccc1Cl ZINC000557246502 564859409 /nfs/dbraw/zinc/85/94/09/564859409.db2.gz STCRLWRDMLRVBJ-SGTLLEGYSA-N 1 0 384.307 2.773 20 0 GFADRO CN(c1ncnc2ccc(I)cc21)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000462837356 564859915 /nfs/dbraw/zinc/85/99/15/564859915.db2.gz GPSRGJHEZQAQGL-ZDUSSCGKSA-N 1 0 394.260 2.907 20 0 GFADRO CC(C)C[C@@H]([NH3+])c1noc(CCNC(=O)c2ccc(Br)cc2)n1 ZINC000582784562 564861655 /nfs/dbraw/zinc/86/16/55/564861655.db2.gz BWKKEXWFHLVAER-CYBMUJFWSA-N 1 0 381.274 2.851 20 0 GFADRO C[C@H]([NH3+])C[C@H](C)NC(=O)NCCCOc1ncc(C(F)(F)F)cc1Cl ZINC000582784712 564861864 /nfs/dbraw/zinc/86/18/64/564861864.db2.gz QGGHSBUGJGMJQA-UWVGGRQHSA-N 1 0 382.814 2.948 20 0 GFADRO C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000462884475 564862429 /nfs/dbraw/zinc/86/24/29/564862429.db2.gz QDSRAKCNLMEEFR-VZJVUDMVSA-N 1 0 384.307 2.616 20 0 GFADRO C[C@H](CNC(=O)C(=O)NCCCc1ccc(Cl)cc1Cl)[N@H+](C)C1CC1 ZINC000557425671 564862454 /nfs/dbraw/zinc/86/24/54/564862454.db2.gz UBFRNHNOLFYQFO-GFCCVEGCSA-N 1 0 386.323 2.641 20 0 GFADRO O=c1cc(C[N@@H+]2CCCC3(CCOCC3)C2)nc2ccc(Br)cn12 ZINC000582937496 564867829 /nfs/dbraw/zinc/86/78/29/564867829.db2.gz SLTILQZUHYYCCY-UHFFFAOYSA-N 1 0 392.297 2.850 20 0 GFADRO C[C@@H]1C[N@H+](C)C[C@@H]1c1nc(COc2ccc(I)cc2)no1 ZINC000463057138 564868310 /nfs/dbraw/zinc/86/83/10/564868310.db2.gz VPMSUMAUDYJVSH-MFKMUULPSA-N 1 0 399.232 2.918 20 0 GFADRO O=C(NC[C@@H]1CC[N@@H+]1C1CCCCC1)c1nc2ccc(Br)cn2n1 ZINC000530189513 564870675 /nfs/dbraw/zinc/87/06/75/564870675.db2.gz HDMCEVPZHQIBND-AWEZNQCLSA-N 1 0 392.301 2.629 20 0 GFADRO Fc1c(Br)ccc(CN[C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)c1F ZINC000530223386 564872989 /nfs/dbraw/zinc/87/29/89/564872989.db2.gz UYMPBJGHLKFKCZ-FPMFFAJLSA-N 1 0 375.257 2.974 20 0 GFADRO CC(C)c1nn(-c2ccc(Br)cc2)cc1C[NH2+]C[C@@H]1COCCN1 ZINC000530247605 564873144 /nfs/dbraw/zinc/87/31/44/564873144.db2.gz XFPSVKAOARROEM-MRXNPFEDSA-N 1 0 393.329 2.836 20 0 GFADRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NCc1cc(Br)cc2c1OCC2 ZINC000463265335 564875013 /nfs/dbraw/zinc/87/50/13/564875013.db2.gz WVQLUCXMJUBMKW-LRDDRELGSA-N 1 0 396.329 2.866 20 0 GFADRO C[NH+](C)[C@@H](CNS(=O)(=O)c1cccnc1C(F)(F)F)C1CCCCC1 ZINC000557797710 564876846 /nfs/dbraw/zinc/87/68/46/564876846.db2.gz WRJTXBCLTJFEAN-ZDUSSCGKSA-N 1 0 379.448 2.889 20 0 GFADRO C[C@H]1CC[N@H+](C)CCN1C(=O)Nc1ccc(F)cc1I ZINC000497862889 564878349 /nfs/dbraw/zinc/87/83/49/564878349.db2.gz OFZXKOXBXJGZIH-JTQLQIEISA-N 1 0 391.228 2.988 20 0 GFADRO C[C@@H]1CN(C)[C@@H](C)CN1S(=O)(=O)c1cc(Br)cc2cccnc21 ZINC000557841126 564880469 /nfs/dbraw/zinc/88/04/69/564880469.db2.gz JAAYHIHYSRBYHY-NWDGAFQWSA-N 1 0 398.326 2.710 20 0 GFADRO C[C@H](C(=O)NC(=O)NC(C)(C)C)[N@H+](C)CCc1cccc(Br)c1 ZINC000463426929 564880487 /nfs/dbraw/zinc/88/04/87/564880487.db2.gz DDVUGXHQFZMDHT-GFCCVEGCSA-N 1 0 384.318 2.936 20 0 GFADRO Cc1cc(S(=O)(=O)NCC[NH2+][C@@H]2CCCC[C@H]2[C@H]2CCOC2)c(C)s1 ZINC000530439881 564882284 /nfs/dbraw/zinc/88/22/84/564882284.db2.gz ZANDVIFMUPSBFP-YESZJQIVSA-N 1 0 386.583 2.828 20 0 GFADRO C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000497983379 564883391 /nfs/dbraw/zinc/88/33/91/564883391.db2.gz CBAWIVWMYZLBCN-WBMJQRKESA-N 1 0 379.913 2.939 20 0 GFADRO Cc1ccc(O[C@H](C)C(=O)Nc2ccnn2CC[NH+](C)C)c(Br)c1 ZINC000557904923 564884552 /nfs/dbraw/zinc/88/45/52/564884552.db2.gz FBCLIJXBAOQDCA-CYBMUJFWSA-N 1 0 395.301 2.922 20 0 GFADRO COc1cc(Br)c(CN2CC[C@@H](Nc3ncccn3)C2)c(OC)c1 ZINC000583322954 564886464 /nfs/dbraw/zinc/88/64/64/564886464.db2.gz NVHNPRFHOHFCRN-GFCCVEGCSA-N 1 0 393.285 2.943 20 0 GFADRO Cc1cnc(CC(=O)N2CCN(CCOc3ccccc3Cl)CC2)s1 ZINC000498078551 564888230 /nfs/dbraw/zinc/88/82/30/564888230.db2.gz WIRWWPCZPQKMSN-UHFFFAOYSA-N 1 0 379.913 2.871 20 0 GFADRO COC(C)(C)CS(=O)(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)N(C)C ZINC000583409410 564890416 /nfs/dbraw/zinc/89/04/16/564890416.db2.gz MYNWAUPLKWKJPU-AWEZNQCLSA-N 1 0 382.448 2.653 20 0 GFADRO CC(=O)NCc1ccc(-c2nc(NC(=O)[C@H]([NH3+])CC(F)F)sc2C)s1 ZINC000498199768 564890717 /nfs/dbraw/zinc/89/07/17/564890717.db2.gz YWACWAKXKGVVHD-SNVBAGLBSA-N 1 0 388.465 2.737 20 0 GFADRO CC(=O)NCc1ccc(-c2nc(NC(=O)[C@@H]([NH3+])CC(F)F)sc2C)s1 ZINC000498199620 564890944 /nfs/dbraw/zinc/89/09/44/564890944.db2.gz YWACWAKXKGVVHD-JTQLQIEISA-N 1 0 388.465 2.737 20 0 GFADRO C[C@H]1c2c(Cl)cc(Cl)cc2CCN1C(=O)C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000583434982 564891082 /nfs/dbraw/zinc/89/10/82/564891082.db2.gz WZWLOIFHHWBCMM-RYUDHWBXSA-N 1 0 384.307 2.636 20 0 GFADRO CN(C[C@H]1CCC[N@@H+]1C)S(=O)(=O)c1cc(Br)cc2cccnc21 ZINC000583493014 564894210 /nfs/dbraw/zinc/89/42/10/564894210.db2.gz NCSPRDHHWGNBHJ-CQSZACIVSA-N 1 0 398.326 2.712 20 0 GFADRO CCOC(=O)CN(C)C(=O)C[NH2+]C(C)(C)c1ccc(Br)c(C)c1 ZINC000583534590 564895986 /nfs/dbraw/zinc/89/59/86/564895986.db2.gz VQXSCVULLWCDIN-UHFFFAOYSA-N 1 0 385.302 2.604 20 0 GFADRO COCCC1(C)C[NH+](C[C@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000558273594 564897409 /nfs/dbraw/zinc/89/74/09/564897409.db2.gz RAUXJHIXEIPPGP-AWEZNQCLSA-N 1 0 376.266 2.686 20 0 GFADRO O=S(=O)(NCCC[C@@H]1CCC[NH2+]1)c1cccc(Cl)c1Br ZINC000583564238 564897533 /nfs/dbraw/zinc/89/75/33/564897533.db2.gz HJUYKFZPNMZVTP-JTQLQIEISA-N 1 0 381.723 2.913 20 0 GFADRO C[S@](=O)Cc1cc(NC(=O)c2cnn([C@H]3CCC[NH2+]C3)c2)ccc1Cl ZINC000583562186 564897553 /nfs/dbraw/zinc/89/75/53/564897553.db2.gz FFNJDHSEYWSNRH-MQNRADLISA-N 1 0 380.901 2.592 20 0 GFADRO Cc1nnc2n1C[C@H](C[NH2+]CCC(=O)Nc1cccc(Br)c1)CC2 ZINC000558343435 564899150 /nfs/dbraw/zinc/89/91/50/564899150.db2.gz WSALZMASPMNHOD-ZDUSSCGKSA-N 1 0 392.301 2.530 20 0 GFADRO CC[C@H](C(=O)NCCCNC(=O)c1ccc(Br)cc1)[NH+](CC)CC ZINC000531053091 564900858 /nfs/dbraw/zinc/90/08/58/564900858.db2.gz QTADBVCACSBNDJ-MRXNPFEDSA-N 1 0 398.345 2.806 20 0 GFADRO O=C(NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)NC[C@]1(O)CCSC1 ZINC000531107064 564901536 /nfs/dbraw/zinc/90/15/36/564901536.db2.gz XGHLLNYYFNJVNN-FUHWJXTLSA-N 1 0 383.945 2.644 20 0 GFADRO CC[N@@H+]1C[C@@H](C)N(C(=O)c2cc(Br)c3c(c2)OCCO3)C[C@H]1C ZINC000498572361 564902851 /nfs/dbraw/zinc/90/28/51/564902851.db2.gz OWNQLLNDQFGEDR-VXGBXAGGSA-N 1 0 383.286 2.775 20 0 GFADRO CC(C)C[C@H](C[NH3+])NC(=O)c1ncc(Br)cc1Br ZINC000583687998 564903383 /nfs/dbraw/zinc/90/33/83/564903383.db2.gz AKHAWCOUSXSBPL-SECBINFHSA-N 1 0 379.096 2.710 20 0 GFADRO CC[C@H]1CC[N@@H+]([C@H]2CC(=O)N(c3ccc(I)cc3)C2=O)C1 ZINC000531264893 564905294 /nfs/dbraw/zinc/90/52/94/564905294.db2.gz VGCKWSPXLFIYKC-FZMZJTMJSA-N 1 0 398.244 2.655 20 0 GFADRO C[C@@H](NC(=O)C(=O)N(C)CC[N@H+](C)C1CC1)c1cc(F)c(Cl)cc1Cl ZINC000583766362 564905905 /nfs/dbraw/zinc/90/59/05/564905905.db2.gz HBSOSUSCPWBMCD-SNVBAGLBSA-N 1 0 390.286 2.862 20 0 GFADRO C[NH2+]C[C@H](C)CNC(=O)c1c(C)nn(-c2ccc(Br)cc2)c1C ZINC000583754071 564906064 /nfs/dbraw/zinc/90/60/64/564906064.db2.gz ZHZXQLWUEPBNMW-NSHDSACASA-N 1 0 379.302 2.837 20 0 GFADRO O[C@@H](C[NH2+]CCn1cnc2ccccc21)COc1ccc(Br)cc1 ZINC000558598179 564908727 /nfs/dbraw/zinc/90/87/27/564908727.db2.gz NBLRXHODKLTVFR-HNNXBMFYSA-N 1 0 390.281 2.828 20 0 GFADRO COCC[N@@H+]1CC[C@H](NC(=O)N[C@@H](C)c2ccc(Br)cc2F)C1 ZINC000558602273 564909078 /nfs/dbraw/zinc/90/90/78/564909078.db2.gz UVNMXVQLYGILGF-AAEUAGOBSA-N 1 0 388.281 2.669 20 0 GFADRO CC[NH+]1CCN([C@H](C)CNC(=O)[C@@H](C)c2cccc(Br)c2)CC1 ZINC000464551913 564909766 /nfs/dbraw/zinc/90/97/66/564909766.db2.gz CYLOZUXDMLXUTD-CABCVRRESA-N 1 0 382.346 2.695 20 0 GFADRO C[N@H+]1C[C@@H](c2ccccc2)[C@H](NS(=O)(=O)c2ccc(Br)cc2)C1 ZINC000498877298 564911370 /nfs/dbraw/zinc/91/13/70/564911370.db2.gz SCCWCAHDFPXJEJ-DLBZAZTESA-N 1 0 395.322 2.825 20 0 GFADRO CCO[C@H](CC[NH+](C)C)CNC(=O)C1=Cc2cc(Br)ccc2OC1 ZINC000531477565 564911443 /nfs/dbraw/zinc/91/14/43/564911443.db2.gz YRQVMSNGPCWNSY-MRXNPFEDSA-N 1 0 397.313 2.698 20 0 GFADRO C[C@H](O)CC(C)(C)C[NH2+]C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000583929501 564913189 /nfs/dbraw/zinc/91/31/89/564913189.db2.gz NOCMMCQKYBCFKR-FZMZJTMJSA-N 1 0 378.282 2.715 20 0 GFADRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C1=Cc2cc(Br)ccc2OC1 ZINC000531569692 564914606 /nfs/dbraw/zinc/91/46/06/564914606.db2.gz DHDVRHIYGYVXOS-BDJLRTHQSA-N 1 0 377.282 2.824 20 0 GFADRO C[NH+](C)C[C@H]1CCCCN1C(=O)c1cc(I)ccc1F ZINC000531628459 564916218 /nfs/dbraw/zinc/91/62/18/564916218.db2.gz MUBMXQSLKXTVOF-GFCCVEGCSA-N 1 0 390.240 2.987 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)C(=O)NC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000531669190 564916803 /nfs/dbraw/zinc/91/68/03/564916803.db2.gz QXDAIEMRAIXAQY-CYBMUJFWSA-N 1 0 396.329 2.797 20 0 GFADRO CC[C@@H](CO)[NH+]1CCN(Cc2nnc(-c3ccc(Cl)cc3Cl)o2)CC1 ZINC000464766781 564917788 /nfs/dbraw/zinc/91/77/88/564917788.db2.gz DWQADHOTPSIFSZ-ZDUSSCGKSA-N 1 0 385.295 2.932 20 0 GFADRO CCN1CC[C@@H]([NH2+]CCCNS(=O)(=O)CC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000558894283 564917965 /nfs/dbraw/zinc/91/79/65/564917965.db2.gz GJOZFPZDPLUAOC-SJORKVTESA-N 1 0 391.940 2.533 20 0 GFADRO O=S(=O)(c1cccc(OC(F)(F)F)c1)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000584044039 564918153 /nfs/dbraw/zinc/91/81/53/564918153.db2.gz MSIMAAUSLSJTEA-DOMZBBRYSA-N 1 0 378.416 2.738 20 0 GFADRO CC[NH+]1CCC(CNS(=O)(=O)Cc2ccc(Br)c(F)c2)CC1 ZINC000584094701 564920810 /nfs/dbraw/zinc/92/08/10/564920810.db2.gz QWOAHLRVRZZTRC-UHFFFAOYSA-N 1 0 393.322 2.740 20 0 GFADRO C[NH+](C)C[C@H]1CCCN1C(=O)CCNC(=O)Nc1ccc(Br)cc1 ZINC000464932311 564921167 /nfs/dbraw/zinc/92/11/67/564921167.db2.gz JRXUBCUHBIBYJM-OAHLLOKOSA-N 1 0 397.317 2.513 20 0 GFADRO C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)Cn1cc(Br)cn1 ZINC000499252656 564921918 /nfs/dbraw/zinc/92/19/18/564921918.db2.gz QZAQYBRWDWJKEG-UHFFFAOYSA-N 1 0 399.720 2.889 20 0 GFADRO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CCN1CCSCC1 ZINC000531973696 564925894 /nfs/dbraw/zinc/92/58/94/564925894.db2.gz VRERWJFUUKZHOP-CYBMUJFWSA-N 1 0 386.359 2.805 20 0 GFADRO CC[NH+]1CCC(NC(=O)NC[C@H](C)Oc2ccc(Br)cc2)CC1 ZINC000465433081 564928198 /nfs/dbraw/zinc/92/81/98/564928198.db2.gz ZHJJOGWLWZZBOR-ZDUSSCGKSA-N 1 0 384.318 3.000 20 0 GFADRO CCOCCCNC(=O)[C@H](C)[NH2+][C@@H](c1cncc(Br)c1)C1CC1 ZINC000584306649 564929592 /nfs/dbraw/zinc/92/95/92/564929592.db2.gz RIKKHNMVTZZFOG-BLLLJJGKSA-N 1 0 384.318 2.816 20 0 GFADRO C[NH+](C)CC1(CNC(=O)C(=O)NCc2ccc(Cl)cc2Cl)CCCC1 ZINC000559343057 564930357 /nfs/dbraw/zinc/93/03/57/564930357.db2.gz OVIJCKSNEHCANH-UHFFFAOYSA-N 1 0 386.323 2.848 20 0 GFADRO C[NH+](C)CCN(Cc1cccs1)C(=O)C(=O)NCc1ccccc1Cl ZINC000559355015 564931106 /nfs/dbraw/zinc/93/11/06/564931106.db2.gz OEXBZCUKKWCREK-UHFFFAOYSA-N 1 0 379.913 2.608 20 0 GFADRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)c2ccc(F)c(I)c2)C1 ZINC000532166079 564931691 /nfs/dbraw/zinc/93/16/91/564931691.db2.gz CLBBCDGZEQRUAI-NSHDSACASA-N 1 0 390.240 2.890 20 0 GFADRO O=C(NCC[C@H](O)C(F)(F)F)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000499613883 564931961 /nfs/dbraw/zinc/93/19/61/564931961.db2.gz FGMNGABJQHGRDZ-JSGCOSHPSA-N 1 0 379.448 2.573 20 0 GFADRO C[C@H](NC(=O)C(=O)NCCC[NH+]1CCCCC1)c1ccc(Br)cc1 ZINC000559467125 564933723 /nfs/dbraw/zinc/93/37/23/564933723.db2.gz YBHNLWWNZBTCAF-AWEZNQCLSA-N 1 0 396.329 2.619 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@H]1CCN(c2ccccc2Br)C1 ZINC000465906518 564933692 /nfs/dbraw/zinc/93/36/92/564933692.db2.gz XTYXEEKHRICKMA-LSDHHAIUSA-N 1 0 395.345 2.811 20 0 GFADRO C[C@@H](CNC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1)Oc1ccc(Br)cc1 ZINC000466375502 564938802 /nfs/dbraw/zinc/93/88/02/564938802.db2.gz UICKCGMTTXKUCS-GOEBONIOSA-N 1 0 394.313 2.872 20 0 GFADRO C[C@H](CNC(=O)N1CCC[C@H]([NH+](C)C)C1)Oc1ccc(Br)cc1 ZINC000466366706 564938894 /nfs/dbraw/zinc/93/88/94/564938894.db2.gz KUHGXDJRNKVJQK-HIFRSBDPSA-N 1 0 384.318 2.952 20 0 GFADRO CCC[N@H+](CC)CC(=O)N(C)CC(=O)Nc1ccc(Br)cc1C ZINC000532486782 564939307 /nfs/dbraw/zinc/93/93/07/564939307.db2.gz JEOOMCIHBRQHCX-UHFFFAOYSA-N 1 0 384.318 2.886 20 0 GFADRO C[C@@H]([NH2+]CCNS(=O)(=O)c1cccc(Cl)c1)c1ccc2c(c1)COC2 ZINC000532468700 564939324 /nfs/dbraw/zinc/93/93/24/564939324.db2.gz FCEZKHLDPHLKGV-CYBMUJFWSA-N 1 0 380.897 2.999 20 0 GFADRO C[N@@H+]1CCCC[C@@H]1CCN1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 ZINC000532469019 564939363 /nfs/dbraw/zinc/93/93/63/564939363.db2.gz PHGAGJQGLBTKIW-QGZVFWFLSA-N 1 0 385.961 2.521 20 0 GFADRO CC1CC[NH+](CCNC(=O)C(=O)N(C)Cc2c(Cl)cccc2Cl)CC1 ZINC000559743359 564939671 /nfs/dbraw/zinc/93/96/71/564939671.db2.gz NEFIVJDUZVTWAN-UHFFFAOYSA-N 1 0 386.323 2.800 20 0 GFADRO COc1cc(Br)ccc1CCC[NH2+][C@H](CS(C)(=O)=O)C1CC1 ZINC000559836661 564941271 /nfs/dbraw/zinc/94/12/71/564941271.db2.gz FFJACMJMNDFVFA-OAHLLOKOSA-N 1 0 390.343 2.803 20 0 GFADRO Brc1cncc(C[NH2+]CCNc2ccc(-c3ccccc3)nn2)c1 ZINC000466470377 564941319 /nfs/dbraw/zinc/94/13/19/564941319.db2.gz JUCUDNQWQVPIBL-UHFFFAOYSA-N 1 0 384.281 3.503 20 0 GFADRO Fc1ccc(Br)c(F)c1CN1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000500072967 564944626 /nfs/dbraw/zinc/94/46/26/564944626.db2.gz FMKZBMJOXQCVKB-LBPRGKRZSA-N 1 0 375.257 2.881 20 0 GFADRO CC[N@@H+]1C[C@@H](C)N(C(=O)c2c(F)cccc2I)C[C@@H]1C ZINC000500116912 564946400 /nfs/dbraw/zinc/94/64/00/564946400.db2.gz ZPIJRCSYJKPXPO-WDEREUQCSA-N 1 0 390.240 2.985 20 0 GFADRO C[C@@H](C[NH+](C)C)NC(=O)NCCCOc1ncc(C(F)(F)F)cc1Cl ZINC000500423566 564952755 /nfs/dbraw/zinc/95/27/55/564952755.db2.gz RGZMHUOBKABNTA-JTQLQIEISA-N 1 0 382.814 2.772 20 0 GFADRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1cnn(-c2cccc(Br)c2)c1 ZINC000467048147 564954760 /nfs/dbraw/zinc/95/47/60/564954760.db2.gz RZYALYHFXRSBJJ-SJCJKPOMSA-N 1 0 389.297 2.847 20 0 GFADRO CS(=O)(=O)NC[C@@H]1CCC[C@H]1[NH2+]Cc1cc(Cl)ccc1Br ZINC000500512611 564955786 /nfs/dbraw/zinc/95/57/86/564955786.db2.gz KAVYAKCFFMOVCH-IINYFYTJSA-N 1 0 395.750 2.910 20 0 GFADRO Cc1ccc(-c2nc(C[NH2+][C@H]3CCC[C@H]3CNS(C)(=O)=O)cs2)cc1 ZINC000500545310 564957286 /nfs/dbraw/zinc/95/72/86/564957286.db2.gz NCHXZTUHLBPMPS-RDJZCZTQSA-N 1 0 379.551 2.926 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)C[NH+]1C2CCC1CC2 ZINC000533237229 564958925 /nfs/dbraw/zinc/95/89/25/564958925.db2.gz GSWQJHMYGQPLMP-UHFFFAOYSA-N 1 0 394.313 2.781 20 0 GFADRO O=C(CC[N@@H+]1CCC[C@H]1C(=O)NC1CC1)Nc1cccc(Br)c1 ZINC000533296655 564960560 /nfs/dbraw/zinc/96/05/60/564960560.db2.gz QXRPOMGGGYGHBM-HNNXBMFYSA-N 1 0 380.286 2.521 20 0 GFADRO C[N@@H+]1CCC[C@H](CNC(=O)Nc2ccn(-c3ccc(Br)cc3)n2)C1 ZINC000560443649 564961811 /nfs/dbraw/zinc/96/18/11/564961811.db2.gz UQQUMBFNGGCNEH-CYBMUJFWSA-N 1 0 392.301 3.098 20 0 GFADRO NS(=O)(=O)C[C@@H]1CCC[N@@H+]1CCCCOc1ccccc1C(F)(F)F ZINC000533392841 564962445 /nfs/dbraw/zinc/96/24/45/564962445.db2.gz SNIHFGWYGRSKOW-ZDUSSCGKSA-N 1 0 380.432 2.617 20 0 GFADRO CCC[N@H+](C)CC(=O)N1CCN(Cc2cc(Br)ccc2F)CC1 ZINC000500804886 564962914 /nfs/dbraw/zinc/96/29/14/564962914.db2.gz XGYYLMCOMGOJIR-UHFFFAOYSA-N 1 0 386.309 2.574 20 0 GFADRO CC(C)[C@H](Oc1ccccc1Br)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000560483902 564964595 /nfs/dbraw/zinc/96/45/95/564964595.db2.gz ADAJADKLJGUJDU-CPUCHLNUSA-N 1 0 381.314 2.920 20 0 GFADRO CC(C)[N@H+](Cc1cc(=O)n2cc(Br)ccc2n1)C1CCOCC1 ZINC000533531907 564965404 /nfs/dbraw/zinc/96/54/04/564965404.db2.gz IOVJXRBRISZQAD-UHFFFAOYSA-N 1 0 380.286 2.846 20 0 GFADRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NS(=O)(=O)c1ccc(Br)cc1Cl ZINC000467509503 564965589 /nfs/dbraw/zinc/96/55/89/564965589.db2.gz GAVZZLAZVFKMNF-TVQRCGJNSA-N 1 0 393.734 2.864 20 0 GFADRO CCNC(=O)[C@@H]([NH2+][C@H](C)CC(=O)Nc1ccc(Br)cc1)C(C)C ZINC000560562210 564968447 /nfs/dbraw/zinc/96/84/47/564968447.db2.gz CTJXQGADYOPVAN-WBMJQRKESA-N 1 0 384.318 2.917 20 0 GFADRO CN(CCC[NH+]1CCCC1)C(=O)Cc1ccccc1I ZINC000467679288 564970461 /nfs/dbraw/zinc/97/04/61/564970461.db2.gz VXVTUZBIPCERHB-UHFFFAOYSA-N 1 0 386.277 2.778 20 0 GFADRO C[C@@H]([NH2+]Cc1cn(-c2ccc(Cl)cc2Cl)nn1)[C@@H](C)N1CCOCC1 ZINC000533753012 564971741 /nfs/dbraw/zinc/97/17/41/564971741.db2.gz RICKOBKCNUSICE-CHWSQXEVSA-N 1 0 384.311 2.773 20 0 GFADRO C[C@H](NS(=O)(=O)c1ccc(OCC(F)(F)F)cc1)C(C)(C)C[NH+](C)C ZINC000467774493 564971962 /nfs/dbraw/zinc/97/19/62/564971962.db2.gz YQBJNGLCKRXMLX-LBPRGKRZSA-N 1 0 382.448 2.882 20 0 GFADRO CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)cc1Cl ZINC000467772332 564972019 /nfs/dbraw/zinc/97/20/19/564972019.db2.gz OAGRGHDDINUDHM-NSHDSACASA-N 1 0 375.922 2.553 20 0 GFADRO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)Cc2ccccc2Br)CC1 ZINC000501145035 564972186 /nfs/dbraw/zinc/97/21/86/564972186.db2.gz WUBNGDBYCKXOGQ-KRWDZBQOSA-N 1 0 394.357 2.620 20 0 GFADRO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)c2cc(F)ccc2Br)CC1 ZINC000501137186 564972386 /nfs/dbraw/zinc/97/23/86/564972386.db2.gz CSHDDIMSKWNHLI-OAHLLOKOSA-N 1 0 398.320 2.830 20 0 GFADRO CC[NH+](CC)CCCNS(=O)(=O)c1cc(F)c(Br)cc1F ZINC000533798943 564973197 /nfs/dbraw/zinc/97/31/97/564973197.db2.gz VFCUQXOKMHYKQX-UHFFFAOYSA-N 1 0 385.274 2.738 20 0 GFADRO O=C(CNC(=O)Cc1ccc(Cl)cc1Cl)NCC[NH+]1CCCCCC1 ZINC000560771878 564975489 /nfs/dbraw/zinc/97/54/89/564975489.db2.gz XNBADIAJLHOJCR-UHFFFAOYSA-N 1 0 386.323 2.644 20 0 GFADRO O=C(NCCCC[NH+]1CCOCC1)c1cc(Br)cc2cccnc21 ZINC000533918295 564975790 /nfs/dbraw/zinc/97/57/90/564975790.db2.gz UJVUAIUIKAFXBS-UHFFFAOYSA-N 1 0 392.297 2.840 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@H](C)Cc1ccc(Cl)cc1Cl ZINC000560875939 564978473 /nfs/dbraw/zinc/97/84/73/564978473.db2.gz MEIHSBKQJGHTKL-IUODEOHRSA-N 1 0 386.323 2.641 20 0 GFADRO O=C(Nc1cccc2c1CC[NH2+]C2)C(=O)N[C@@H]1CCc2sc(Cl)cc21 ZINC000560990794 564981181 /nfs/dbraw/zinc/98/11/81/564981181.db2.gz RLVBMJVYPBRBRB-CQSZACIVSA-N 1 0 375.881 2.789 20 0 GFADRO CS[C@@H]1CN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)C[C@H]1[NH+](C)C ZINC000534172438 564981550 /nfs/dbraw/zinc/98/15/50/564981550.db2.gz ZIXMBCCYUFSLRA-ZIAGYGMSSA-N 1 0 383.366 2.801 20 0 GFADRO CCC[N@H+](C)CC(=O)N(CCn1ccnc1)Cc1ccc(Br)o1 ZINC000561045832 564981812 /nfs/dbraw/zinc/98/18/12/564981812.db2.gz KPSCCWCUSUQSFY-UHFFFAOYSA-N 1 0 383.290 2.609 20 0 GFADRO CC[NH+](CC)CCN(Cc1cccs1)C(=O)C(=O)Nc1cnc(C)s1 ZINC000501622723 564983284 /nfs/dbraw/zinc/98/32/84/564983284.db2.gz WUMIHEJSFNAUHO-UHFFFAOYSA-N 1 0 380.539 2.822 20 0 GFADRO C[C@@]1(O)CCC[N@H+](CCCOc2cccc(I)c2)C1 ZINC000501773758 564985832 /nfs/dbraw/zinc/98/58/32/564985832.db2.gz LJUYMRFPROVZEU-OAHLLOKOSA-N 1 0 375.250 2.907 20 0 GFADRO CS[C@@H]1CN(C(=O)c2nn(-c3ccccc3Cl)cc2C)C[C@H]1[NH+](C)C ZINC000501867258 564987021 /nfs/dbraw/zinc/98/70/21/564987021.db2.gz NXZWZDJRFSJAQT-HZPDHXFCSA-N 1 0 378.929 2.952 20 0 GFADRO C[N@H+](CCNS(=O)(=O)c1cc(F)c(Br)cc1F)C1CCCC1 ZINC000534512674 564991080 /nfs/dbraw/zinc/99/10/80/564991080.db2.gz BXLGEAKZFKCOHX-UHFFFAOYSA-N 1 0 397.285 2.880 20 0 GFADRO O=C([C@@H]1CC(=O)Nc2ccc(Br)cc21)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000468751134 564992195 /nfs/dbraw/zinc/99/21/95/564992195.db2.gz AAJBNUTXFSXOPE-DZGCQCFKSA-N 1 0 392.297 2.572 20 0 GFADRO C[N@H+](CCNS(=O)(=O)Cc1ccccc1Br)C1CCCC1 ZINC000561506209 564996894 /nfs/dbraw/zinc/99/68/94/564996894.db2.gz VMIIVTAOGJBDMG-UHFFFAOYSA-N 1 0 375.332 2.743 20 0 GFADRO CC(C)[N@@H+]1CCC[C@H](NS(=O)(=O)c2c(F)cccc2OC(F)(F)F)C1 ZINC000561525360 564998835 /nfs/dbraw/zinc/99/88/35/564998835.db2.gz BPIMBKFSCUGVIC-NSHDSACASA-N 1 0 384.395 2.875 20 0 GFADRO CCc1n[nH]c(C(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)c1Br ZINC000468922307 564999399 /nfs/dbraw/zinc/99/93/99/564999399.db2.gz JUAWBLDOPGCTGG-CYBMUJFWSA-N 1 0 379.302 2.637 20 0 GFADRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1S(=O)(=O)c1ccc(Br)cc1F ZINC000561552372 565001356 /nfs/dbraw/zinc/00/13/56/565001356.db2.gz OCBKYMDTMBVPDS-BXUZGUMPSA-N 1 0 391.306 2.836 20 0 GFADRO Cc1c(Br)cc(C(=O)NC[C@@]2([NH+](C)C)CCC[C@H](C)C2)c(=O)n1C ZINC000469090761 565005308 /nfs/dbraw/zinc/00/53/08/565005308.db2.gz XBAASTRYEHDURD-KPZWWZAWSA-N 1 0 398.345 2.697 20 0 GFADRO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)C[NH2+][C@H]1CCC[C@H]1CCO ZINC000502867394 565007645 /nfs/dbraw/zinc/00/76/45/565007645.db2.gz CVAVXBNTXHPXBS-HZMBPMFUSA-N 1 0 389.279 2.859 20 0 GFADRO C[C@@H](Sc1ccc(Br)cc1)C(=O)NCCNc1cc[nH+]cc1 ZINC000535257832 565008909 /nfs/dbraw/zinc/00/89/09/565008909.db2.gz LKKOAUHUIBNMQB-GFCCVEGCSA-N 1 0 380.311 2.975 20 0 GFADRO CC[NH+](CC)[C@H](CNS(=O)(=O)c1cc(C(=O)OC)cs1)CC(C)C ZINC000469218698 565009912 /nfs/dbraw/zinc/00/99/12/565009912.db2.gz NEQQBMINQBTOMM-AWEZNQCLSA-N 1 0 376.544 2.570 20 0 GFADRO CS(=O)(=O)c1ccc(C[NH2+]Cc2ccc(OC[C@@H]3CCCO3)cc2)s1 ZINC000469233863 565009968 /nfs/dbraw/zinc/00/99/68/565009968.db2.gz SPUKATHUXASYLV-INIZCTEOSA-N 1 0 381.519 2.999 20 0 GFADRO C[NH+](C)[C@H]1CCOc2c(NC(=O)c3cc(S(C)(=O)=O)cs3)cccc21 ZINC000469261266 565010971 /nfs/dbraw/zinc/01/09/71/565010971.db2.gz MFMZIGAQNIUZDY-AWEZNQCLSA-N 1 0 380.491 2.789 20 0 GFADRO C[C@H]1C[C@@H](NC(=O)C(=O)N(C)Cc2ccc(Cl)c(Cl)c2)C[N@@H+]1C1CC1 ZINC000561886386 565012161 /nfs/dbraw/zinc/01/21/61/565012161.db2.gz SWEBFDQOAVTPFA-WCQYABFASA-N 1 0 384.307 2.693 20 0 GFADRO COCC(=O)N1CCC([NH2+][C@H]2CCc3c2c(Br)ccc3F)CC1 ZINC000535508831 565014492 /nfs/dbraw/zinc/01/44/92/565014492.db2.gz VOIZZVSYZNCCDX-HNNXBMFYSA-N 1 0 385.277 2.803 20 0 GFADRO O=S(=O)(NCCC[NH2+][C@H]1CC[C@H]1C1CC1)c1ccccc1Br ZINC000562066177 565017416 /nfs/dbraw/zinc/01/74/16/565017416.db2.gz ZOIXWOCFEIKWHO-ZFWWWQNUSA-N 1 0 387.343 2.896 20 0 GFADRO CC[C@H](Cn1cncn1)[NH2+]C[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000562084369 565017967 /nfs/dbraw/zinc/01/79/67/565017967.db2.gz IOMBNRYRFAJNLZ-GOEBONIOSA-N 1 0 378.318 2.935 20 0 GFADRO CCS[C@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl ZINC000503445270 565019265 /nfs/dbraw/zinc/01/92/65/565019265.db2.gz BXDRRFPTNKXJCN-ZFWWWQNUSA-N 1 0 390.958 2.946 20 0 GFADRO O=S(=O)(CC[NH2+][C@@H]1CCC[C@H]1OC(F)F)c1cccc(Br)c1 ZINC000503522754 565021768 /nfs/dbraw/zinc/02/17/68/565021768.db2.gz MVHNSHNQMDMFDW-CHWSQXEVSA-N 1 0 398.269 2.973 20 0 GFADRO COC(C)(C)CC[NH+]1CCN(C(=O)COc2ccc(Br)cc2)CC1 ZINC000469609755 565022475 /nfs/dbraw/zinc/02/24/75/565022475.db2.gz UDMNOSRJJCBMHN-UHFFFAOYSA-N 1 0 399.329 2.787 20 0 GFADRO Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)[C@H](C)[C@H](C)S(C)(=O)=O ZINC000469634197 565023023 /nfs/dbraw/zinc/02/30/23/565023023.db2.gz RTZSNUWHCRVQTD-CABCVRRESA-N 1 0 384.567 2.552 20 0 GFADRO CC[NH+](CC)CC[C@@H](CO)NC(=O)[C@@H](C)c1ccc(Br)s1 ZINC000535835646 565023120 /nfs/dbraw/zinc/02/31/20/565023120.db2.gz HNUUCPHDEQTJPA-RYUDHWBXSA-N 1 0 377.348 2.823 20 0 GFADRO COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000562318259 565024532 /nfs/dbraw/zinc/02/45/32/565024532.db2.gz SOZUCGWGXKXFQY-NSHDSACASA-N 1 0 388.295 2.787 20 0 GFADRO C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)c1ccc(Cl)c(N)c1Cl ZINC000469718507 565024562 /nfs/dbraw/zinc/02/45/62/565024562.db2.gz SMMZWSROTBMJHP-UHFFFAOYSA-N 1 0 381.263 2.988 20 0 GFADRO COC(=O)CN(C)C(=O)CC[N@H+](C)C[C@@H](C)Oc1ccc(Cl)c(Cl)c1 ZINC000469753613 565026109 /nfs/dbraw/zinc/02/61/09/565026109.db2.gz UOLSWEFLFUSWJH-GFCCVEGCSA-N 1 0 391.295 2.714 20 0 GFADRO C[C@@H]([NH2+]CCN1CCN(c2ncccn2)CC1)c1sccc1Br ZINC000536021341 565027333 /nfs/dbraw/zinc/02/73/33/565027333.db2.gz GKUMVWIWLUSRFB-CYBMUJFWSA-N 1 0 396.358 2.773 20 0 GFADRO OCCOC1(C[NH2+][C@H]2CCc3c2c(Br)ccc3F)CCOCC1 ZINC000503868379 565029821 /nfs/dbraw/zinc/02/98/21/565029821.db2.gz BEWKYQJFAWUIRA-HNNXBMFYSA-N 1 0 388.277 2.723 20 0 GFADRO COC(C)(C)CC(=O)Nc1ccc(CN2CC[NH+](C)CC2)c(Br)c1 ZINC000469872509 565030370 /nfs/dbraw/zinc/03/03/70/565030370.db2.gz QRBRSMBGTGRVQY-UHFFFAOYSA-N 1 0 398.345 2.950 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S(=O)(=O)CC[NH2+][C@@H]1CCC[C@@H](C)C1 ZINC000562462297 565030795 /nfs/dbraw/zinc/03/07/95/565030795.db2.gz HGNZWAMLXXYIQP-HZPDHXFCSA-N 1 0 387.567 2.812 20 0 GFADRO O=C(Nc1ccc(Cl)c(Cl)c1)N1CC[NH+]([C@H]2CCNC(=O)CC2)CC1 ZINC000562583625 565034668 /nfs/dbraw/zinc/03/46/68/565034668.db2.gz IZVHHFMSBMHARY-CYBMUJFWSA-N 1 0 385.295 2.812 20 0 GFADRO COCC[C@H](Cc1cccc(Br)c1)C(=O)N1C[C@@H](C[NH3+])C[C@H]1C ZINC000504184658 565036490 /nfs/dbraw/zinc/03/64/90/565036490.db2.gz AEVLZHOBRLBSNA-FVQBIDKESA-N 1 0 383.330 2.840 20 0 GFADRO C[C@@H](Oc1ccccc1Br)C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000470069282 565037188 /nfs/dbraw/zinc/03/71/88/565037188.db2.gz CZAKACHBWWIGRY-HUUCEWRRSA-N 1 0 399.329 2.834 20 0 GFADRO C[C@@H]1C[N@H+](CCCNC(=O)Cc2ccc(F)c(Br)c2)CCCO1 ZINC000470064930 565037200 /nfs/dbraw/zinc/03/72/00/565037200.db2.gz GZLOTDFZHOXYLJ-CYBMUJFWSA-N 1 0 387.293 2.748 20 0 GFADRO CS[C@H]1CN(Cc2nc(-c3cccc(Br)c3)no2)C[C@@H]1[NH+](C)C ZINC000536471715 565037776 /nfs/dbraw/zinc/03/77/76/565037776.db2.gz KUNVAEMSTKETCR-KBPBESRZSA-N 1 0 397.342 2.977 20 0 GFADRO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)c2cc3c(c(Br)c2)OCO3)C1 ZINC000470225288 565041422 /nfs/dbraw/zinc/04/14/22/565041422.db2.gz YNKBLFATSHLNHN-CYBMUJFWSA-N 1 0 395.297 2.982 20 0 GFADRO O=C(NCCc1c[nH]c2ccc(Br)cc12)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000562805923 565043795 /nfs/dbraw/zinc/04/37/95/565043795.db2.gz WUGYFRMVQVYTOB-GOSISDBHSA-N 1 0 391.313 2.868 20 0 GFADRO O=C(c1ccc2c(c1)C[NH2+]C2)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000470361728 565043904 /nfs/dbraw/zinc/04/39/04/565043904.db2.gz BNNXQGMQQKJHDT-UHFFFAOYSA-N 1 0 377.275 2.954 20 0 GFADRO C[C@H](Cn1cc(Br)cn1)[NH2+]CCNC(=O)c1ccc(Cl)cc1 ZINC000536862002 565048452 /nfs/dbraw/zinc/04/84/52/565048452.db2.gz GRWQCIIKJVKVAB-LLVKDONJSA-N 1 0 385.693 2.707 20 0 GFADRO COCCc1nc(C)c([C@@H](C)[NH2+]CCS(=O)(=O)c2ccc(F)cc2)s1 ZINC000536843342 565048497 /nfs/dbraw/zinc/04/84/97/565048497.db2.gz CYMGYYVOMLZFCI-GFCCVEGCSA-N 1 0 386.514 2.904 20 0 GFADRO O=C(CSCc1ccc(Br)cc1F)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000562971145 565049795 /nfs/dbraw/zinc/04/97/95/565049795.db2.gz AUOHRGAZSLDAEN-AAEUAGOBSA-N 1 0 387.318 2.889 20 0 GFADRO CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)NC[C@H]1CCC[N@@H+]1C ZINC000536924209 565049784 /nfs/dbraw/zinc/04/97/84/565049784.db2.gz DILYHNLQOMGVGK-MAZHCROVSA-N 1 0 384.318 2.919 20 0 GFADRO [NH3+]C[C@H](NC(=O)Cc1cc2c(cc1Br)OCCO2)C1CCCCC1 ZINC000562976552 565050409 /nfs/dbraw/zinc/05/04/09/565050409.db2.gz BASMROFBLIUAIK-HNNXBMFYSA-N 1 0 397.313 2.787 20 0 GFADRO Cc1sc(C[NH2+]C[C@@H](O)CN2CCOCC2)nc1-c1ccc(Cl)cc1 ZINC000562984576 565050685 /nfs/dbraw/zinc/05/06/85/565050685.db2.gz GSHDFVCFELQUHX-MRXNPFEDSA-N 1 0 381.929 2.555 20 0 GFADRO COc1ccc(Br)cc1C(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2 ZINC000562977322 565050832 /nfs/dbraw/zinc/05/08/32/565050832.db2.gz GWKXUSBZGKSYTA-LBPRGKRZSA-N 1 0 376.254 2.921 20 0 GFADRO Cc1cc(NC(=O)CC[NH2+]CCC(=O)Nc2cc(Cl)cc(Cl)c2)no1 ZINC000562998592 565051082 /nfs/dbraw/zinc/05/10/82/565051082.db2.gz NCWAUHQTUZJMJT-UHFFFAOYSA-N 1 0 385.251 3.237 20 0 GFADRO CCOc1ccc(S(=O)(=O)NCC[N@H+](C)[C@@H](C)CC)cc1Br ZINC000470628438 565051677 /nfs/dbraw/zinc/05/16/77/565051677.db2.gz SASHNQLJPZWGQH-LBPRGKRZSA-N 1 0 393.347 2.856 20 0 GFADRO C[C@H](CN(C)C(=O)[C@@H]1C[N@@H+]2CCN1CCC2)Oc1ccc(Cl)c(Cl)c1 ZINC000470731093 565054000 /nfs/dbraw/zinc/05/40/00/565054000.db2.gz CACKCBQILIWBGB-DYVFJYSZSA-N 1 0 386.323 2.609 20 0 GFADRO O=C([C@@H]1C[C@]12CCc1cc(Br)ccc12)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000563089183 565055485 /nfs/dbraw/zinc/05/54/85/565055485.db2.gz WTHHCPSMSLPMTF-DOEAQHAXSA-N 1 0 375.310 2.863 20 0 GFADRO COc1cc(C(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc(Br)c1OC ZINC000563100173 565055837 /nfs/dbraw/zinc/05/58/37/565055837.db2.gz RWZFGCNOCQEMKY-OLZOCXBDSA-N 1 0 397.313 2.928 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]1C1CCN(S(=O)(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000563129332 565056575 /nfs/dbraw/zinc/05/65/75/565056575.db2.gz ONBGPEXGXBVLFB-HIFRSBDPSA-N 1 0 379.309 2.510 20 0 GFADRO O=S(=O)(c1ccc(Br)cc1F)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000563130191 565056856 /nfs/dbraw/zinc/05/68/56/565056856.db2.gz UXAFAGABNUEINK-RYUDHWBXSA-N 1 0 391.306 2.598 20 0 GFADRO COc1cc(C)nc(C[NH2+]C[C@H](O)COc2ccccc2Br)c1 ZINC000537466362 565058898 /nfs/dbraw/zinc/05/88/98/565058898.db2.gz YBNQBKWSGJCMSV-AWEZNQCLSA-N 1 0 381.270 2.691 20 0 GFADRO CC(C)[N@H+](C)CC1CCN(C(=O)c2cnn3cc(Br)cnc23)CC1 ZINC000537641134 565060781 /nfs/dbraw/zinc/06/07/81/565060781.db2.gz NRVGIISUPWMDDL-UHFFFAOYSA-N 1 0 394.317 2.684 20 0 GFADRO CN(C)CC[N@H+](C)CCCNC(=O)c1cc(Cl)cc(Br)c1F ZINC000584323678 565076327 /nfs/dbraw/zinc/07/63/27/565076327.db2.gz ZPJVSKJAQVLRQN-UHFFFAOYSA-N 1 0 394.716 2.855 20 0 GFADRO O=S1(=O)CC[C@@H](CC[NH2+][C@H](CO)c2ccc(Cl)cc2C(F)(F)F)C1 ZINC000684628511 565076807 /nfs/dbraw/zinc/07/68/07/565076807.db2.gz POYNMQWVQVZPBL-QMTHXVAHSA-N 1 0 385.835 2.807 20 0 GFADRO O=C(CC[NH2+]C[C@@H](O)COc1cccc(Br)c1)Nc1ccccc1 ZINC000584405938 565079197 /nfs/dbraw/zinc/07/91/97/565079197.db2.gz KDJPJDNMUSGHGX-MRXNPFEDSA-N 1 0 393.281 2.807 20 0 GFADRO C[C@H](C(=O)N[C@H](CO)c1ccc(Br)cc1C(F)(F)F)[NH+](C)C ZINC000635881789 565079278 /nfs/dbraw/zinc/07/92/78/565079278.db2.gz CPWLPJTZWXSJSU-PRHODGIISA-N 1 0 383.208 2.568 20 0 GFADRO C[NH+](C)CCn1cc(NC(=O)N[C@@H]2C[C@H]2c2ccc(Br)cc2)cn1 ZINC000684776850 565082516 /nfs/dbraw/zinc/08/25/16/565082516.db2.gz WJHXJDCSSIXKCH-JKSUJKDBSA-N 1 0 392.301 2.885 20 0 GFADRO CC[NH+](CC)CC[C@@H](CO)NC(=O)c1cc2c(cccc2Br)[nH]1 ZINC000584479015 565082738 /nfs/dbraw/zinc/08/27/38/565082738.db2.gz ISCRWDKTTMHZNL-LBPRGKRZSA-N 1 0 382.302 2.753 20 0 GFADRO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+]C[C@@H](O)COc2ccccc2)c1 ZINC000584525214 565085078 /nfs/dbraw/zinc/08/50/78/565085078.db2.gz XVVWWVCVVVRDON-MRXNPFEDSA-N 1 0 383.897 2.663 20 0 GFADRO C[C@@H](C(=O)N1CCN([C@H](C)c2ccc(Br)cc2)CC1)C1C[NH2+]C1 ZINC000584527873 565087204 /nfs/dbraw/zinc/08/72/04/565087204.db2.gz MUVUKWHIPSCDLS-ZIAGYGMSSA-N 1 0 380.330 2.510 20 0 GFADRO CC[NH+](CC)CC[C@@H](CO)NC(=O)c1cc(Cl)ccc1Br ZINC000584555864 565087736 /nfs/dbraw/zinc/08/77/36/565087736.db2.gz ABAPAMMMPDPKFT-LBPRGKRZSA-N 1 0 377.710 2.925 20 0 GFADRO CC[N@H+](C)C[C@@H](O)CN(C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000584568202 565088428 /nfs/dbraw/zinc/08/84/28/565088428.db2.gz OAVGZOCSIQYYQU-GFCCVEGCSA-N 1 0 381.826 2.542 20 0 GFADRO C[NH2+]C[C@H]1CCCN(C(=O)CNC(=O)c2sc3ccccc3c2Cl)C1 ZINC000584589784 565089230 /nfs/dbraw/zinc/08/92/30/565089230.db2.gz QSBVYWWECIMNAO-GFCCVEGCSA-N 1 0 379.913 2.743 20 0 GFADRO C[NH+]1CC2(C1)CCN(C(=O)c1cc(Br)ccc1OC(F)F)C2 ZINC000614033452 565091259 /nfs/dbraw/zinc/09/12/59/565091259.db2.gz LAAGBZNLNSIGMM-UHFFFAOYSA-N 1 0 375.213 2.828 20 0 GFADRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2S(=O)(=O)c2cccc3c(Cl)ccnc32)C1 ZINC000584702549 565091828 /nfs/dbraw/zinc/09/18/28/565091828.db2.gz UUQCCUYOPJYBQL-BBRMVZONSA-N 1 0 379.913 2.993 20 0 GFADRO C[NH+](C)C[C@]1(O)CCCN(C(=O)CCCc2ccccc2Br)C1 ZINC000614066906 565093991 /nfs/dbraw/zinc/09/39/91/565093991.db2.gz LYPOHJVDPOMMMQ-GOSISDBHSA-N 1 0 383.330 2.687 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+]C[C@@H]1CCCNC1=O ZINC000657283835 565095320 /nfs/dbraw/zinc/09/53/20/565095320.db2.gz JBPGDZSCWNFDCT-ZDUSSCGKSA-N 1 0 377.286 2.559 20 0 GFADRO Cc1csc(CC2(O)CCN(C(=O)c3sccc3C[NH+](C)C)CC2)n1 ZINC000636177205 565095627 /nfs/dbraw/zinc/09/56/27/565095627.db2.gz UEZAAYOYUDKVRT-UHFFFAOYSA-N 1 0 379.551 2.784 20 0 GFADRO CNS(=O)(=O)c1cccc([C@H](C)[NH2+]Cc2cncc(Br)c2C)c1 ZINC000657345255 565098239 /nfs/dbraw/zinc/09/82/39/565098239.db2.gz LVIPOKHLCATXMW-LBPRGKRZSA-N 1 0 398.326 2.911 20 0 GFADRO CC[C@H]1C[C@@H]([NH2+]CCCNC(=O)c2cc(OC)ccc2Br)CO1 ZINC000657357458 565100492 /nfs/dbraw/zinc/10/04/92/565100492.db2.gz CXMXTRZWCPLWAL-OLZOCXBDSA-N 1 0 385.302 2.735 20 0 GFADRO CC[C@@H]([NH3+])CNC(=O)c1ccc(I)c(Br)c1 ZINC000584838718 565100629 /nfs/dbraw/zinc/10/06/29/565100629.db2.gz CLLJKWJZSSFYNG-MRVPVSSYSA-N 1 0 397.054 2.521 20 0 GFADRO O=C(NCC12CCC[NH+]1CCC2)c1cc(=O)c2cc(Br)ccc2[nH]1 ZINC000614227070 565102660 /nfs/dbraw/zinc/10/26/60/565102660.db2.gz RHFHQJALZLWOMV-UHFFFAOYSA-N 1 0 390.281 2.649 20 0 GFADRO O=c1ccc(Br)cn1CC[NH2+]Cc1ccc(O[C@@H]2CCOC2)cc1 ZINC000657476982 565103442 /nfs/dbraw/zinc/10/34/42/565103442.db2.gz IFEKKZSYBLMNPR-QGZVFWFLSA-N 1 0 393.281 2.568 20 0 GFADRO OC[C@H](C[NH2+]Cc1cnc2n1CCC2)Cc1cc(Br)ccc1F ZINC000657484752 565103610 /nfs/dbraw/zinc/10/36/10/565103610.db2.gz UFNGJJFNZIIQJQ-LBPRGKRZSA-N 1 0 382.277 2.672 20 0 GFADRO CC(C)[NH+](CCNC(=O)C(=O)Nc1cccc(Br)c1F)C(C)C ZINC000657508007 565104297 /nfs/dbraw/zinc/10/42/97/565104297.db2.gz IIIACTIWFLPOKU-UHFFFAOYSA-N 1 0 388.281 2.762 20 0 GFADRO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)Nc1ccc(F)c(Br)c1F ZINC000657521492 565105805 /nfs/dbraw/zinc/10/58/05/565105805.db2.gz MHVAGSFERHMQBD-SECBINFHSA-N 1 0 392.244 2.512 20 0 GFADRO C[N@@H+](Cc1cc(Br)cc(Br)c1N)C[C@@H](O)C1CC1 ZINC000685460727 565107711 /nfs/dbraw/zinc/10/77/11/565107711.db2.gz DFNLTSVFLDMVNN-GFCCVEGCSA-N 1 0 378.108 2.997 20 0 GFADRO CO[C@H](C[NH2+]Cc1cnn(-c2ccc(Br)cc2)c1)[C@H]1CCOC1 ZINC000657543850 565107681 /nfs/dbraw/zinc/10/76/81/565107681.db2.gz NDOWIGYKOGPLCR-WMLDXEAASA-N 1 0 380.286 2.776 20 0 GFADRO CC[C@@H]1C[N@H+](C)CCCN1C(=O)COc1ccc(Br)cc1C(C)=O ZINC000614343778 565108377 /nfs/dbraw/zinc/10/83/77/565108377.db2.gz YSWQHHTXUIKBSM-OAHLLOKOSA-N 1 0 397.313 2.973 20 0 GFADRO COc1cc(C)ccc1C[NH2+]CCNC(=O)c1ccc(Br)cn1 ZINC000657563077 565109055 /nfs/dbraw/zinc/10/90/55/565109055.db2.gz GEKXBOYMNPVDQK-UHFFFAOYSA-N 1 0 378.270 2.681 20 0 GFADRO CO[C@@H]1CCC[C@@H]([C@H](CO)[NH2+]Cc2cn3ccc(Br)cc3n2)C1 ZINC000657577896 565110055 /nfs/dbraw/zinc/11/00/55/565110055.db2.gz RWWPWFCZZGTCEC-WQVCFCJDSA-N 1 0 382.302 2.753 20 0 GFADRO CC[NH+](CC)CCS(=O)(=O)NC(C)(C)c1ccc(Br)cc1 ZINC000685589521 565113126 /nfs/dbraw/zinc/11/31/26/565113126.db2.gz AQWBJFZFJGFDIF-UHFFFAOYSA-N 1 0 377.348 2.945 20 0 GFADRO Brc1ccccc1-n1cc(C[NH2+]CCCOC[C@H]2CCOC2)nn1 ZINC000685616817 565116078 /nfs/dbraw/zinc/11/60/78/565116078.db2.gz LGLJDTCQNSKOOJ-CQSZACIVSA-N 1 0 395.301 2.563 20 0 GFADRO COC(=O)C[C@@](C)([NH2+]Cc1ccn(C)c(=O)c1)c1ccc(Br)cc1 ZINC000586782534 565116817 /nfs/dbraw/zinc/11/68/17/565116817.db2.gz NOHRBPJOCRMCNQ-GOSISDBHSA-N 1 0 393.281 2.716 20 0 GFADRO OCc1ccc(CC[NH2+]Cc2cn(-c3ccccc3Br)nn2)cc1 ZINC000685619992 565117062 /nfs/dbraw/zinc/11/70/62/565117062.db2.gz IKJZQHKZGJTRLE-UHFFFAOYSA-N 1 0 387.281 2.854 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)C[NH2+][C@H](C)C(C)(C)n1cncn1 ZINC000685649453 565118996 /nfs/dbraw/zinc/11/89/96/565118996.db2.gz YAQIOGHEYDWBMS-GFCCVEGCSA-N 1 0 380.290 2.701 20 0 GFADRO CCC[N@H+](CC)C[C@H](C)NC(=O)C(=O)Nc1c(F)cccc1Br ZINC000685781120 565121915 /nfs/dbraw/zinc/12/19/15/565121915.db2.gz MOGXADVDWMTRQC-NSHDSACASA-N 1 0 388.281 2.763 20 0 GFADRO Cc1c(F)c(Br)ccc1NC(=O)C(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000657723271 565123340 /nfs/dbraw/zinc/12/33/40/565123340.db2.gz QLVREMYJZDFDHZ-ONGXEEELSA-N 1 0 398.276 2.577 20 0 GFADRO C[C@@H](CNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)C[NH+]1CCCCC1 ZINC000614629423 565125431 /nfs/dbraw/zinc/12/54/31/565125431.db2.gz XKUWTRCKTYGELU-ZDUSSCGKSA-N 1 0 380.432 2.986 20 0 GFADRO Oc1cccc(C[NH2+][C@@H]2C[C@@H](N3CCOCC3)C23CCC3)c1Br ZINC000657747991 565125651 /nfs/dbraw/zinc/12/56/51/565125651.db2.gz BSXBYCGSEBUYHX-HZPDHXFCSA-N 1 0 381.314 2.888 20 0 GFADRO CC(C)[C@@H](O)[C@H]([NH2+]Cc1ccc(S(N)(=O)=O)c(Cl)c1)c1ccccc1 ZINC000657749074 565126635 /nfs/dbraw/zinc/12/66/35/565126635.db2.gz XYNURCBDFJBEQZ-QZTJIDSGSA-N 1 0 382.913 2.835 20 0 GFADRO CC(C)(C[NH2+]Cc1cnc2ccc(Br)cn12)[C@@]1(O)CCCOC1 ZINC000657764131 565127188 /nfs/dbraw/zinc/12/71/88/565127188.db2.gz COCAZSSQEDYUHL-QGZVFWFLSA-N 1 0 382.302 2.754 20 0 GFADRO OCC1([C@H]([NH2+]Cc2cc3c(cc2Br)OCO3)[C@H]2CCCO2)CCC1 ZINC000685851942 565128343 /nfs/dbraw/zinc/12/83/43/565128343.db2.gz ULHIVHVMGVIBTA-RHSMWYFYSA-N 1 0 398.297 2.978 20 0 GFADRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1ccccc1I ZINC000588185489 565130237 /nfs/dbraw/zinc/13/02/37/565130237.db2.gz JMQVGWHOGFEYMZ-SWLSCSKDSA-N 1 0 384.261 2.990 20 0 GFADRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1cc(Br)cc2[nH]c(=O)[nH]c21 ZINC000614835716 565134370 /nfs/dbraw/zinc/13/43/70/565134370.db2.gz PREQNFGYATUSDA-HZMBPMFUSA-N 1 0 393.285 2.730 20 0 GFADRO CC[C@@H](Cc1ccc(Br)cc1)[NH2+][C@H]1CCN(c2cnn(C)c2)C1=O ZINC000657917606 565137412 /nfs/dbraw/zinc/13/74/12/565137412.db2.gz BUOZALGIIORBDE-RDJZCZTQSA-N 1 0 391.313 2.899 20 0 GFADRO Cn1c(=O)c2ccsc2nc1SC[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000588689583 565138276 /nfs/dbraw/zinc/13/82/76/565138276.db2.gz OXUPQNJVOMDLHF-AWEZNQCLSA-N 1 0 375.519 2.580 20 0 GFADRO COc1cc(Cl)ccc1S(=O)(=O)N1C[C@@H](SC)[C@H]([NH+]2CCCC2)C1 ZINC000614987197 565141731 /nfs/dbraw/zinc/14/17/31/565141731.db2.gz HFHQBALFSPUPTP-UKRRQHHQSA-N 1 0 390.958 2.549 20 0 GFADRO CC(C)[C@H](Cc1ccc(Br)cc1)[NH2+]Cc1nnc2n1CCOC2 ZINC000657991617 565142917 /nfs/dbraw/zinc/14/29/17/565142917.db2.gz VRYOCRXSFLFFHV-HNNXBMFYSA-N 1 0 379.302 2.928 20 0 GFADRO CCCC[N@H+](C)C[C@H](C)NS(=O)(=O)c1ccc(C(=O)OC)c(Cl)c1 ZINC000588910209 565143767 /nfs/dbraw/zinc/14/37/67/565143767.db2.gz BSJGWEHVEBTCCC-LBPRGKRZSA-N 1 0 376.906 2.525 20 0 GFADRO CCOC1CCC([NH2+]CCNS(=O)(=O)c2ccc(Cl)cc2F)CC1 ZINC000658001338 565144981 /nfs/dbraw/zinc/14/49/81/565144981.db2.gz NUDFTWCEOQLXLB-UHFFFAOYSA-N 1 0 378.897 2.695 20 0 GFADRO CSCC[C@H]([NH2+]Cc1cnn(Cc2ccccc2Cl)c1)C(=O)N(C)C ZINC000588931771 565145270 /nfs/dbraw/zinc/14/52/70/565145270.db2.gz BWENCWBIPNLEHO-KRWDZBQOSA-N 1 0 380.945 2.884 20 0 GFADRO COC(=O)[C@@](C)(O)C[NH2+][C@@H](CC(F)(F)F)c1ccc(Br)cc1 ZINC000588967483 565145455 /nfs/dbraw/zinc/14/54/55/565145455.db2.gz WBGRKBGTAWUKIF-AAEUAGOBSA-N 1 0 384.192 2.956 20 0 GFADRO C[NH+](C)C[C@H](NC(=O)NCCN1CCCC1=O)c1ccc(Cl)c(Cl)c1 ZINC000637245360 565147031 /nfs/dbraw/zinc/14/70/31/565147031.db2.gz JLNHJJZUWXBCQW-HNNXBMFYSA-N 1 0 387.311 2.518 20 0 GFADRO C[C@@H]([NH2+]C[C@H](C)c1ccccn1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000658067834 565149159 /nfs/dbraw/zinc/14/91/59/565149159.db2.gz ZMENJLFPUKKXQB-NWDGAFQWSA-N 1 0 398.326 2.946 20 0 GFADRO O=C(NCC[NH2+][C@@H]1CCCC[C@H]1[C@@H]1CCOC1)c1ccc(Br)cn1 ZINC000658092604 565149254 /nfs/dbraw/zinc/14/92/54/565149254.db2.gz OKGUWPXAUKJKNS-VNQPRFMTSA-N 1 0 396.329 2.759 20 0 GFADRO O=C(Nc1cc(Cl)cc(Cl)c1)[C@@H]1CCCN1C(=O)NCC[NH2+]C1CC1 ZINC000637340350 565150733 /nfs/dbraw/zinc/15/07/33/565150733.db2.gz PAORRJMRYAXJRD-HNNXBMFYSA-N 1 0 385.295 2.858 20 0 GFADRO Cc1ccncc1CC[NH2+][C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000658124748 565151693 /nfs/dbraw/zinc/15/16/93/565151693.db2.gz TVLNJEGYXGUSHN-LBPRGKRZSA-N 1 0 398.326 2.693 20 0 GFADRO Cc1cc(NC(=O)C(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)cc(C)c1Br ZINC000658126981 565152324 /nfs/dbraw/zinc/15/23/24/565152324.db2.gz SPHSNSVDGQVZBR-AWEZNQCLSA-N 1 0 396.329 2.993 20 0 GFADRO COc1c(Cl)cc(NC(=O)C(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)cc1Cl ZINC000658125805 565152354 /nfs/dbraw/zinc/15/23/54/565152354.db2.gz YPBYTIOYIQUHGV-LLVKDONJSA-N 1 0 388.295 2.930 20 0 GFADRO OCCO[C@@]1(C[NH2+][C@H](c2ccc(Br)s2)C2CC2)CCOC1 ZINC000658144956 565153516 /nfs/dbraw/zinc/15/35/16/565153516.db2.gz PKPUSYJXRPZZMI-LSDHHAIUSA-N 1 0 376.316 2.719 20 0 GFADRO OCCO[C@@]1(C[NH2+][C@@H]2CCc3c2cc(Br)cc3Cl)CCOC1 ZINC000658148185 565153577 /nfs/dbraw/zinc/15/35/77/565153577.db2.gz KRJUMSJTROTWTN-HZPDHXFCSA-N 1 0 390.705 2.847 20 0 GFADRO Cc1c(F)c(Br)ccc1C(=O)N1CCOC[C@@H]1[C@H]1CCC[N@H+]1C ZINC000615273297 565155438 /nfs/dbraw/zinc/15/54/38/565155438.db2.gz BMAZQXWPRJGKRX-HUUCEWRRSA-N 1 0 385.277 2.832 20 0 GFADRO C[C@H](Cn1cc(Br)ccc1=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000658228732 565156064 /nfs/dbraw/zinc/15/60/64/565156064.db2.gz LRYYWFPDKIOEFH-GDBMZVCRSA-N 1 0 382.346 2.996 20 0 GFADRO O=C(NCc1ccc(Br)c(F)c1F)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000637423201 565156580 /nfs/dbraw/zinc/15/65/80/565156580.db2.gz LYJPYQXVZUFBPE-LBPRGKRZSA-N 1 0 386.240 2.883 20 0 GFADRO C[C@@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH2+]C[C@@H]1CCC(=O)N1 ZINC000658260430 565157333 /nfs/dbraw/zinc/15/73/33/565157333.db2.gz VTUZRGVSZZBGAT-ONGXEEELSA-N 1 0 377.794 2.944 20 0 GFADRO C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)CCNC(=O)Nc1ccc(Br)cc1 ZINC000615311747 565157817 /nfs/dbraw/zinc/15/78/17/565157817.db2.gz IXDAIVJZUVZWMZ-WFASDCNBSA-N 1 0 397.317 2.512 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000658260170 565157988 /nfs/dbraw/zinc/15/79/88/565157988.db2.gz GVSXRDXFBUILTC-CYBMUJFWSA-N 1 0 382.302 2.685 20 0 GFADRO C[NH+](C)C[C@H](NC(=O)NCC[C@H](O)C(F)F)c1ccc(Cl)c(Cl)c1 ZINC000637472482 565158824 /nfs/dbraw/zinc/15/88/24/565158824.db2.gz JUDGFECCCQHYAK-STQMWFEESA-N 1 0 384.254 2.911 20 0 GFADRO CCN(C(=O)C(=O)Nc1ccc(Br)cc1Cl)[C@H]1CC[N@H+](C)C1 ZINC000658358006 565160837 /nfs/dbraw/zinc/16/08/37/565160837.db2.gz XGIRDBAFGGWIBM-NSHDSACASA-N 1 0 388.693 2.594 20 0 GFADRO CCCOc1ccc(Br)cc1S(=O)(=O)NCCC[NH2+]CC ZINC000658364123 565160960 /nfs/dbraw/zinc/16/09/60/565160960.db2.gz AAZPRJUQJXPAMN-UHFFFAOYSA-N 1 0 379.320 2.516 20 0 GFADRO CCCOc1ccc(Br)cc1S(=O)(=O)N1CCC[C@@H]1C[NH2+]C ZINC000658373293 565163131 /nfs/dbraw/zinc/16/31/31/565163131.db2.gz VFEMAIRTHSVLGD-CYBMUJFWSA-N 1 0 391.331 2.610 20 0 GFADRO [NH3+][C@H]1CCO[C@H](C2CCN(S(=O)(=O)Cc3cc(F)ccc3Cl)CC2)C1 ZINC000658382460 565165742 /nfs/dbraw/zinc/16/57/42/565165742.db2.gz KNQHFJNJXKBNGX-RDJZCZTQSA-N 1 0 390.908 2.527 20 0 GFADRO CC1(C)C[NH2+]CC[C@H]1NS(=O)(=O)c1cc(Cl)cc(Br)c1 ZINC000658381698 565165887 /nfs/dbraw/zinc/16/58/87/565165887.db2.gz ZSGZHIPPSYUIBZ-GFCCVEGCSA-N 1 0 381.723 2.769 20 0 GFADRO Cc1csc(C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)c1I ZINC000615760825 565172376 /nfs/dbraw/zinc/17/23/76/565172376.db2.gz HSXRUSTVOUCSSJ-LLVKDONJSA-N 1 0 390.290 2.875 20 0 GFADRO COc1cccc(C[N@H+](C)Cc2ccc(S(N)(=O)=O)c(Br)c2)c1 ZINC000637845318 565173855 /nfs/dbraw/zinc/17/38/55/565173855.db2.gz WMBJULOGIVLNER-UHFFFAOYSA-N 1 0 399.310 2.737 20 0 GFADRO C[NH2+]C[C@H]1CCN(C(=O)c2scc(Br)c2Br)C1 ZINC000637836672 565174304 /nfs/dbraw/zinc/17/43/04/565174304.db2.gz WVOLWNKNUUNNQX-SSDOTTSWSA-N 1 0 382.121 2.955 20 0 GFADRO CCCC[C@H](C[NH3+])NC(=O)[C@H]1CCC(=O)N1Cc1ccc(Br)cc1 ZINC000637867288 565174555 /nfs/dbraw/zinc/17/45/55/565174555.db2.gz UGXXJGDFDHZSNJ-HZPDHXFCSA-N 1 0 396.329 2.574 20 0 GFADRO C[N@H+](CCOc1ccccc1)Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000637811809 565174698 /nfs/dbraw/zinc/17/46/98/565174698.db2.gz OFFRPJSSKVMXHN-UHFFFAOYSA-N 1 0 399.310 2.607 20 0 GFADRO O=C(NCc1ccc(Cl)c(Cl)c1)C(=O)N1CCC[C@H](n2ccnc2)C1 ZINC000658532604 565175497 /nfs/dbraw/zinc/17/54/97/565175497.db2.gz XBQACHLNEWBRIX-ZDUSSCGKSA-N 1 0 381.263 2.670 20 0 GFADRO CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)[C@@]1(C)C[C@H](OC)C[NH2+]1 ZINC000637897372 565175981 /nfs/dbraw/zinc/17/59/81/565175981.db2.gz GNIBNFDILJJBOD-APPDUMDISA-N 1 0 388.295 2.547 20 0 GFADRO CN1C[C@@H]2CC[N@H+](CCCOc3cccc(I)c3)[C@@H]2C1 ZINC000590010614 565176011 /nfs/dbraw/zinc/17/60/11/565176011.db2.gz LPBSLESMBREWCV-XJKSGUPXSA-N 1 0 386.277 2.696 20 0 GFADRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(Cc2ccc(Cl)c(S(N)(=O)=O)c2)C1 ZINC000637952596 565179252 /nfs/dbraw/zinc/17/92/52/565179252.db2.gz PDVXUFUEZFSJJG-IJEWVQPXSA-N 1 0 385.961 2.825 20 0 GFADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)NCc3ccc(Cl)c(Cl)c3)CC[C@H]21 ZINC000658705398 565184032 /nfs/dbraw/zinc/18/40/32/565184032.db2.gz GAMIJPIVRKSMJT-CZUORRHYSA-N 1 0 384.307 2.552 20 0 GFADRO O=C(c1cc(Br)c2nccn2c1)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000638262793 565189993 /nfs/dbraw/zinc/18/99/93/565189993.db2.gz NSHCCGBTKYQWFW-QWHCGFSZSA-N 1 0 377.286 2.559 20 0 GFADRO COC[C@]1(C(=O)Nc2ccc(CN(C)C)c(Br)c2)CCCC[NH2+]1 ZINC000638294438 565191057 /nfs/dbraw/zinc/19/10/57/565191057.db2.gz QTPBOHJHHZATCO-KRWDZBQOSA-N 1 0 384.318 2.608 20 0 GFADRO CC1(C)CCC[N@@H+]1CCNC(=O)[C@@H]1CCO[C@H]1c1cncc(Br)c1 ZINC000616153681 565192212 /nfs/dbraw/zinc/19/22/12/565192212.db2.gz IBTLZKAOWALPQN-CVEARBPZSA-N 1 0 396.329 2.912 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+]C[C@@H](c2cccc(Cl)c2)N2CCCC2)s1 ZINC000638361660 565193677 /nfs/dbraw/zinc/19/36/77/565193677.db2.gz QCHZCJIIGWAPDM-INIZCTEOSA-N 1 0 399.969 2.976 20 0 GFADRO C[C@@H]1C[C@H](C)N(C(=O)c2ccc3cncc(Br)c3n2)C[C@@H]1C[NH3+] ZINC000638356339 565194010 /nfs/dbraw/zinc/19/40/10/565194010.db2.gz HCFNJSHJXBZEGI-MDZLAQPJSA-N 1 0 377.286 2.838 20 0 GFADRO COc1cccc(C[C@@H]([NH3+])C(=O)N2CCc3sc(Br)cc3C2)c1 ZINC000638418740 565195205 /nfs/dbraw/zinc/19/52/05/565195205.db2.gz KNBQCVVEIHWCEN-CQSZACIVSA-N 1 0 395.322 2.974 20 0 GFADRO COc1nsc(C[NH2+]C[C@@H](CO)Cc2ccc(F)cc2)c1Br ZINC000638415378 565195732 /nfs/dbraw/zinc/19/57/32/565195732.db2.gz YEKCTAJDJHUIJA-NSHDSACASA-N 1 0 389.290 2.994 20 0 GFADRO CO[C@@H]1C[NH2+][C@](C)(C(=O)N2CCc3[nH]c4ccc(Br)cc4c3C2)C1 ZINC000638407728 565195778 /nfs/dbraw/zinc/19/57/78/565195778.db2.gz JJULSMBQPKPYTD-SGTLLEGYSA-N 1 0 392.297 2.582 20 0 GFADRO COc1cc(NC(=O)[C@@]2(C)C[C@@H](OC)C[NH2+]2)c(Cl)cc1Br ZINC000638426772 565197095 /nfs/dbraw/zinc/19/70/95/565197095.db2.gz WJPUJKSGENSUMQ-XLKFXECMSA-N 1 0 377.666 2.817 20 0 GFADRO C[C@@H]1CCN(C(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)C[C@@H]1[NH3+] ZINC000658973081 565197209 /nfs/dbraw/zinc/19/72/09/565197209.db2.gz GHAOYZJDDHXETH-RLCCDNCMSA-N 1 0 384.307 2.794 20 0 GFADRO C[C@@H]1CCN(C(=O)[C@H]2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)C[C@@H]1[NH3+] ZINC000658973082 565197446 /nfs/dbraw/zinc/19/74/46/565197446.db2.gz GHAOYZJDDHXETH-XFBWCDHKSA-N 1 0 384.307 2.794 20 0 GFADRO [NH3+]CC12CC(C1)CN2C(=O)Nc1cc(Br)ccc1-n1cccn1 ZINC000658993951 565198188 /nfs/dbraw/zinc/19/81/88/565198188.db2.gz RENOWCUJVZELLH-UHFFFAOYSA-N 1 0 376.258 2.590 20 0 GFADRO CSc1ccc(NC(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)cc1Br ZINC000638465370 565198288 /nfs/dbraw/zinc/19/82/88/565198288.db2.gz BRJBRQSEYAFHGQ-LLVKDONJSA-N 1 0 396.314 2.767 20 0 GFADRO CN1CC[C@H]([NH2+]C[C@@H](O)COCC2CC2)C[C@@H]1c1ccc(Br)cc1 ZINC000638495016 565199033 /nfs/dbraw/zinc/19/90/33/565199033.db2.gz CQOZOUCYLMNNGB-IPMKNSEASA-N 1 0 397.357 2.962 20 0 GFADRO CSc1c(F)cccc1NC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000659026296 565199680 /nfs/dbraw/zinc/19/96/80/565199680.db2.gz KAQDRBDLKMPEBA-LBPRGKRZSA-N 1 0 380.411 2.505 20 0 GFADRO CCN(CC[NH3+])C(=O)c1ccc(OCc2cc(C)no2)c(Br)c1 ZINC000638520167 565200128 /nfs/dbraw/zinc/20/01/28/565200128.db2.gz OIBGAENJVYBRFL-UHFFFAOYSA-N 1 0 382.258 2.745 20 0 GFADRO C[C@H](CC(=O)N1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1)n1cc(Br)cn1 ZINC000638556713 565201417 /nfs/dbraw/zinc/20/14/17/565201417.db2.gz DXOONGQXDLNLRU-CKYFFXLPSA-N 1 0 397.239 2.582 20 0 GFADRO CCn1cc(Br)cc1C(=O)N1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000638547782 565201494 /nfs/dbraw/zinc/20/14/94/565201494.db2.gz CNPVZTDTVNJDTA-ONGXEEELSA-N 1 0 382.224 2.870 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)Cc2cccc(Br)c2)CC[C@@H]1C(F)(F)F ZINC000638554638 565201619 /nfs/dbraw/zinc/20/16/19/565201619.db2.gz WOUKKKPSJFBWIW-YPMHNXCESA-N 1 0 379.220 2.977 20 0 GFADRO [NH3+]C1(CNC(=O)C(=O)Nc2ccc(Br)c3ccccc23)CCCC1 ZINC000659098103 565201636 /nfs/dbraw/zinc/20/16/36/565201636.db2.gz AAPBOXYWBBWQHQ-UHFFFAOYSA-N 1 0 390.281 2.929 20 0 GFADRO [NH3+]C1(CNC(=O)c2ccc(Sc3ccccc3Cl)nn2)CCOCC1 ZINC000638539756 565202106 /nfs/dbraw/zinc/20/21/06/565202106.db2.gz UTRYVIHQINXNGB-UHFFFAOYSA-N 1 0 378.885 2.519 20 0 GFADRO C[NH2+]C[C@@H](C)NC(=O)C(=O)Nc1ccc(Sc2nc(C)cs2)c(Cl)c1 ZINC000659112934 565202884 /nfs/dbraw/zinc/20/28/84/565202884.db2.gz SPIDQXMFZJPZSO-SECBINFHSA-N 1 0 398.941 2.919 20 0 GFADRO O=C(C[C@@H]1COCC[NH2+]1)N[C@@H]1CCCSc2ccc(Br)cc21 ZINC000638586434 565203012 /nfs/dbraw/zinc/20/30/12/565203012.db2.gz SSFHUFKUELLURD-TZMCWYRMSA-N 1 0 385.327 2.871 20 0 GFADRO CO[C@H](C[NH2+]CCC(=O)Nc1cc(Br)ccc1C)[C@@H]1CCOC1 ZINC000638597794 565203721 /nfs/dbraw/zinc/20/37/21/565203721.db2.gz KBGUGZFVDIGEPM-CZUORRHYSA-N 1 0 385.302 2.727 20 0 GFADRO [NH3+]C1CCC(OCC(=O)NCc2cc(F)c(Br)cc2F)CC1 ZINC000638600359 565204672 /nfs/dbraw/zinc/20/46/72/565204672.db2.gz WMHOJPJLQCPKHI-UHFFFAOYSA-N 1 0 377.229 2.630 20 0 GFADRO CCc1nncn1CC[NH2+][C@H](C)c1ccc(F)c(I)c1 ZINC000590777914 565204641 /nfs/dbraw/zinc/20/46/41/565204641.db2.gz FJEKCCXEVPSOBK-SNVBAGLBSA-N 1 0 388.228 2.935 20 0 GFADRO C[C@H](c1ccccc1)[NH+]1CCC(NCc2ccc(S(N)(=O)=O)s2)CC1 ZINC000638611532 565205212 /nfs/dbraw/zinc/20/52/12/565205212.db2.gz HJUGBYHDNPFLRO-CQSZACIVSA-N 1 0 379.551 2.711 20 0 GFADRO COCCN1CC[C@H]([NH2+][C@@H]2CCN(C)[C@@H](c3ccc(Br)cc3)C2)C1 ZINC000638637018 565206078 /nfs/dbraw/zinc/20/60/78/565206078.db2.gz LCMLAPSPAMCSKM-CEXWTWQISA-N 1 0 396.373 2.895 20 0 GFADRO CN(CCOCC[NH3+])C(=O)c1cccnc1Oc1cccc(Br)c1 ZINC000638675427 565207150 /nfs/dbraw/zinc/20/71/50/565207150.db2.gz FDNKUJCJIADNDT-UHFFFAOYSA-N 1 0 394.269 2.684 20 0 GFADRO CN(CCOCC[NH3+])C(=O)c1cc(COc2c(Cl)cccc2Cl)on1 ZINC000638676201 565207262 /nfs/dbraw/zinc/20/72/62/565207262.db2.gz HXBQJSZQZLNVCI-UHFFFAOYSA-N 1 0 388.251 2.608 20 0 GFADRO O=C(NCCSc1ccc(Cl)cc1)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000590846877 565207448 /nfs/dbraw/zinc/20/74/48/565207448.db2.gz RZNREDOUGXQQPA-IRXDYDNUSA-N 1 0 383.945 2.673 20 0 GFADRO COC(=O)[C@H](c1ccc(Cl)c(Cl)c1)N1CC[NH+](C(C)(C)CO)CC1 ZINC000616765478 565208129 /nfs/dbraw/zinc/20/81/29/565208129.db2.gz UXEZKBBQCDQTQA-HNNXBMFYSA-N 1 0 375.296 2.596 20 0 GFADRO COc1nsc(C[NH2+][C@H]2CCCC[C@@H]2N2CCOCC2)c1Br ZINC000638764089 565209209 /nfs/dbraw/zinc/20/92/09/565209209.db2.gz PNXMWYHBMYYKBX-RYUDHWBXSA-N 1 0 390.347 2.647 20 0 GFADRO O=C(c1ccc(F)c(Br)c1)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000638777817 565210421 /nfs/dbraw/zinc/21/04/21/565210421.db2.gz HSABIARXZKSDTM-CQSZACIVSA-N 1 0 385.277 2.819 20 0 GFADRO CC(C)(C)O[C@@H]1C[C@H]([NH2+]C[C@H](O)CS(=O)(=O)c2cccs2)C12CCC2 ZINC000638773360 565210747 /nfs/dbraw/zinc/21/07/47/565210747.db2.gz JXJYNIYLZMGCMJ-SOUVJXGZSA-N 1 0 387.567 2.599 20 0 GFADRO Cc1cc(Br)ccc1C(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000638779565 565210804 /nfs/dbraw/zinc/21/08/04/565210804.db2.gz VEQIWJCSZBLDEJ-INIZCTEOSA-N 1 0 381.314 2.988 20 0 GFADRO [NH3+]Cc1ccc2c(c1)N(C(=O)c1n[nH]c(C3CC3)c1Br)CCO2 ZINC000638803944 565212137 /nfs/dbraw/zinc/21/21/37/565212137.db2.gz HRMUMGVQGSJBOI-UHFFFAOYSA-N 1 0 377.242 2.548 20 0 GFADRO CN(Cc1ccc(Br)cc1F)C(=O)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000638827638 565212870 /nfs/dbraw/zinc/21/28/70/565212870.db2.gz BMKYROFARDXECR-HNNXBMFYSA-N 1 0 395.276 2.981 20 0 GFADRO Cc1cc(C[NH3+])oc1C(=O)N(C)C[C@H](O)COc1cc(Cl)cc(Cl)c1 ZINC000638827422 565213480 /nfs/dbraw/zinc/21/34/80/565213480.db2.gz KDEQHEYRDXUHDD-ZDUSSCGKSA-N 1 0 387.263 2.865 20 0 GFADRO COC[C@]1(C(=O)N[C@H]2CCCCc3cc(Br)ccc32)CC[NH2+]C1 ZINC000659387132 565215183 /nfs/dbraw/zinc/21/51/83/565215183.db2.gz WVRAPLPDUPIFKL-WMZOPIPTSA-N 1 0 381.314 2.959 20 0 GFADRO [NH3+][C@@H](CCNC(=O)c1[nH]nc(C2CC2)c1Br)Cc1ccccc1 ZINC000638875796 565215758 /nfs/dbraw/zinc/21/57/58/565215758.db2.gz FAJMTMSMQQIWIZ-ZDUSSCGKSA-N 1 0 377.286 2.740 20 0 GFADRO C[C@@H](CC(=O)NCc1cccc2c1CC[NH2+]C2)n1cc(Br)cn1 ZINC000638845975 565216014 /nfs/dbraw/zinc/21/60/14/565216014.db2.gz LAIAKMBZTHSNIF-LBPRGKRZSA-N 1 0 377.286 2.559 20 0 GFADRO CC(C)[C@H]([NH3+])CCNC(=O)N[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000659449772 565217557 /nfs/dbraw/zinc/21/75/57/565217557.db2.gz QANFUOGTOUYZQG-GOEBONIOSA-N 1 0 383.334 2.700 20 0 GFADRO [NH3+][C@@H]1CN(C(=O)N[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2)CC[C@H]1F ZINC000659480381 565218102 /nfs/dbraw/zinc/21/81/02/565218102.db2.gz LGKAUNOGDUGCKE-COLVAYQJSA-N 1 0 375.275 2.653 20 0 GFADRO CC(C)[NH2+]CCCNC(=O)N1CCOC[C@@H]1c1ccc(Br)cc1 ZINC000659512060 565218801 /nfs/dbraw/zinc/21/88/01/565218801.db2.gz LOQKZPJEKWYXPW-MRXNPFEDSA-N 1 0 384.318 2.920 20 0 GFADRO C[C@H](NC(=O)N1CCOc2cc(Br)ccc2C1)[C@@H]1CCC[NH2+]C1 ZINC000659509724 565218839 /nfs/dbraw/zinc/21/88/39/565218839.db2.gz HXIOOJPBJITCNV-QWHCGFSZSA-N 1 0 382.302 2.741 20 0 GFADRO O=C(NCC[C@H]1CC[NH2+]C1)N1CCOC[C@H]1c1ccc(Br)cc1 ZINC000659513198 565218856 /nfs/dbraw/zinc/21/88/56/565218856.db2.gz HCBHDQVCONEGDK-CJNGLKHVSA-N 1 0 382.302 2.532 20 0 GFADRO O=C(NCC12CC(C1)C[NH2+]2)N[C@H]1C[C@H](c2ccc(F)c(Br)c2)C1 ZINC000659490060 565219180 /nfs/dbraw/zinc/21/91/80/565219180.db2.gz PLPNHQBTDHSVHN-DJENMIJASA-N 1 0 382.277 2.885 20 0 GFADRO C[C@@]1(CNC(=O)N2CCOc3cc(Br)ccc3C2)CCC[NH2+]C1 ZINC000659528326 565219255 /nfs/dbraw/zinc/21/92/55/565219255.db2.gz DUIXYZAJGCAXAW-QGZVFWFLSA-N 1 0 382.302 2.743 20 0 GFADRO [NH3+]CC1(NC(=O)Cc2csc(NC(=O)c3cccs3)n2)CCCCC1 ZINC000638999687 565219722 /nfs/dbraw/zinc/21/97/22/565219722.db2.gz MHRCYXNEZUURGW-UHFFFAOYSA-N 1 0 378.523 2.777 20 0 GFADRO C[C@@H]([NH3+])CNC(=O)Nc1cc(I)ccc1Br ZINC000591284894 565220852 /nfs/dbraw/zinc/22/08/52/565220852.db2.gz OKWYOXOENDFMPK-ZCFIWIBFSA-N 1 0 398.042 2.522 20 0 GFADRO C[C@@H](CNC(=O)[C@@H]1CCN(c2cc(Cl)ccc2Cl)C1=O)[NH+]1CCCC1 ZINC000591284495 565220936 /nfs/dbraw/zinc/22/09/36/565220936.db2.gz UOYYFPIEVUKWMS-JSGCOSHPSA-N 1 0 384.307 2.947 20 0 GFADRO O=C(NCC12CC(C1)C[NH2+]2)N1CCC[C@@H](Nc2cccc(Br)c2)C1 ZINC000659614838 565221190 /nfs/dbraw/zinc/22/11/90/565221190.db2.gz QUBHSSDJKDROCV-CRPOECCBSA-N 1 0 393.329 2.787 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)N[C@H]2CCCCc3cc(Br)ccc32)CCO1 ZINC000659627775 565221433 /nfs/dbraw/zinc/22/14/33/565221433.db2.gz ITVDSFCWTNAQST-HOCLYGCPSA-N 1 0 382.302 2.586 20 0 GFADRO O=C(NCC12CC(C1)C[NH2+]2)N1CCc2[nH]c3c(cccc3Br)c2C1 ZINC000659617016 565221540 /nfs/dbraw/zinc/22/15/40/565221540.db2.gz NZNOZYRZEDKGAX-UHFFFAOYSA-N 1 0 389.297 2.750 20 0 GFADRO O=C(NC[C@@H]1CCCC[NH2+]1)Nc1ccc(F)cc1I ZINC000591288424 565222011 /nfs/dbraw/zinc/22/20/11/565222011.db2.gz NWMSWJAWCALZRK-JTQLQIEISA-N 1 0 377.201 2.694 20 0 GFADRO CC[C@H](c1ccc(Br)cc1)N1CCN(C(=O)N[C@@H](C)C[NH2+]C)CC1 ZINC000659647919 565222172 /nfs/dbraw/zinc/22/21/72/565222172.db2.gz YRXLLFNGECBHFW-WMLDXEAASA-N 1 0 397.361 2.835 20 0 GFADRO CC[NH+](CC)CCN(CCOC)C(=O)c1cc(OC)ccc1Br ZINC000591292796 565222543 /nfs/dbraw/zinc/22/25/43/565222543.db2.gz SQKWUJBMNZAFIA-UHFFFAOYSA-N 1 0 387.318 2.888 20 0 GFADRO Cc1cc(Br)cn2cc(CC[NH2+][C@H](C)C[C@H]3CCCC(=O)N3)nc12 ZINC000639060573 565223189 /nfs/dbraw/zinc/22/31/89/565223189.db2.gz NLTXZULIICJDFH-UKRRQHHQSA-N 1 0 393.329 2.985 20 0 GFADRO COc1cc(I)ccc1NC(=O)NC[C@H]1CCCC[NH2+]1 ZINC000591308188 565223491 /nfs/dbraw/zinc/22/34/91/565223491.db2.gz LKYDDQAGVJTJGT-LLVKDONJSA-N 1 0 389.237 2.563 20 0 GFADRO CCn1ncnc1C[NH2+][C@@H]1CCN(C)[C@@H](c2ccc(Br)cc2)C1 ZINC000639125110 565227289 /nfs/dbraw/zinc/22/72/89/565227289.db2.gz OXRSLIHSUKGCPG-HZPDHXFCSA-N 1 0 378.318 2.986 20 0 GFADRO COc1nsc(C[NH2+]C[C@@H]2CCC3(CCOCC3)[C@@H]2O)c1Br ZINC000639144291 565229018 /nfs/dbraw/zinc/22/90/18/565229018.db2.gz UXZGXDNQLDQYGZ-GXFFZTMASA-N 1 0 391.331 2.572 20 0 GFADRO C[N@@H+]1CCN(CCNCc2nc3cc(Br)ccc3o2)CC1(C)C ZINC000639137181 565229060 /nfs/dbraw/zinc/22/90/60/565229060.db2.gz UCEBERBRHSKXDW-UHFFFAOYSA-N 1 0 381.318 2.706 20 0 GFADRO CN(C[C@@H]1CCC[N@H+](Cc2ccc(CC(F)(F)F)cc2)C1)S(C)(=O)=O ZINC000639157965 565230231 /nfs/dbraw/zinc/23/02/31/565230231.db2.gz UWVYGDCZDDQOTP-INIZCTEOSA-N 1 0 378.460 2.895 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+][C@@H]2c3ccccc3CC23CCOCC3)s1 ZINC000639190621 565231620 /nfs/dbraw/zinc/23/16/20/565231620.db2.gz BNPKNIMLXAVUFQ-QGZVFWFLSA-N 1 0 378.519 2.579 20 0 GFADRO COc1nsc(C[NH2+][C@@H]2CCC[C@H]3CN(C(C)=O)C[C@@H]32)c1Br ZINC000639187062 565231938 /nfs/dbraw/zinc/23/19/38/565231938.db2.gz YSAFJBKSYUPLPI-SDDRHHMPSA-N 1 0 388.331 2.651 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+]C2(Cc3ccccc3Br)CC2)o1 ZINC000639203913 565232264 /nfs/dbraw/zinc/23/22/64/565232264.db2.gz NAMAFNBFVQXVEK-UHFFFAOYSA-N 1 0 385.283 2.554 20 0 GFADRO Brc1cnc2c(C[N@@H+]3CC4(CCOCC4)[C@@H]3C3CC3)cnn2c1 ZINC000639212163 565233403 /nfs/dbraw/zinc/23/34/03/565233403.db2.gz UWPTUVMRIPWYKW-HNNXBMFYSA-N 1 0 377.286 2.883 20 0 GFADRO Cc1ccc(C[C@H](CO)C[NH2+][C@@H](C)C[C@H]2CCCC(=O)N2)cc1Br ZINC000639241418 565235153 /nfs/dbraw/zinc/23/51/53/565235153.db2.gz AIKGMMUMUZVSOD-BHYGNILZSA-N 1 0 397.357 2.945 20 0 GFADRO C[C@H](Cc1cn(C)c2ccc(F)cc12)[NH2+]Cc1ccc(S(N)(=O)=O)s1 ZINC000639272377 565235915 /nfs/dbraw/zinc/23/59/15/565235915.db2.gz JHCIPXDSRBUFSB-LLVKDONJSA-N 1 0 381.498 2.747 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CN(C)CC(=O)c1c[nH]c2ncc(Br)cc12 ZINC000659981278 565236167 /nfs/dbraw/zinc/23/61/67/565236167.db2.gz KPBBCMCYVKLTFP-CYBMUJFWSA-N 1 0 379.302 2.924 20 0 GFADRO C[NH+](C)C[C@H]1CCCCN1S(=O)(=O)c1ccc(F)c(Br)c1 ZINC000660008645 565237737 /nfs/dbraw/zinc/23/77/37/565237737.db2.gz FEJNMRDQMMZHKA-LLVKDONJSA-N 1 0 379.295 2.693 20 0 GFADRO CN1CC[C@H]([NH2+]CC2(CC(N)=O)CC2)C[C@H]1c1ccc(Br)cc1 ZINC000639274724 565237887 /nfs/dbraw/zinc/23/78/87/565237887.db2.gz YXDRQVFUVVKPEQ-HOTGVXAUSA-N 1 0 380.330 2.830 20 0 GFADRO C[C@]12C[N@H+](Cc3csc(-c4ccc(Cl)cc4)n3)C[C@@]1(C)C(=O)NC2=O ZINC000639363080 565242184 /nfs/dbraw/zinc/24/21/84/565242184.db2.gz YGXDOIXBKFXZHT-HDICACEKSA-N 1 0 375.881 2.948 20 0 GFADRO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000617503323 565242680 /nfs/dbraw/zinc/24/26/80/565242680.db2.gz DZSHPNVMYGZEEI-JCGIZDLHSA-N 1 0 396.373 2.941 20 0 GFADRO CCN(C(=O)C[C@H](NC(C)=O)c1ccc(Br)cc1)[C@H]1CC[N@H+](C)C1 ZINC000617560725 565247453 /nfs/dbraw/zinc/24/74/53/565247453.db2.gz WFRTVABMTJAFTK-IRXDYDNUSA-N 1 0 396.329 2.569 20 0 GFADRO CC(C)C(=O)N1CCC[N@H+](C[C@@H](O)COc2cc(Cl)cc(Cl)c2)CC1 ZINC000639470351 565247715 /nfs/dbraw/zinc/24/77/15/565247715.db2.gz BASOAIUWNZQJRI-MRXNPFEDSA-N 1 0 389.323 2.923 20 0 GFADRO O[C@H](C[N@@H+]1CCC[C@H]1c1ccc(Br)s1)CC1(O)CCOCC1 ZINC000639577539 565251212 /nfs/dbraw/zinc/25/12/12/565251212.db2.gz KLZLYZNDFAQXHW-STQMWFEESA-N 1 0 390.343 2.940 20 0 GFADRO CCC[N@H+](C)CC(C)(C)NS(=O)(=O)c1cc(Cl)c(OC)cc1OC ZINC000660107941 565253375 /nfs/dbraw/zinc/25/33/75/565253375.db2.gz MIFOBQUIJCFZAR-UHFFFAOYSA-N 1 0 378.922 2.756 20 0 GFADRO CC(C)[NH2+]C1(CO)CCN(C[C@@H](O)COc2cc(Cl)cc(Cl)c2)CC1 ZINC000639661290 565254258 /nfs/dbraw/zinc/25/42/58/565254258.db2.gz QOTGDVZLLWGOOL-MRXNPFEDSA-N 1 0 391.339 2.558 20 0 GFADRO Cn1ccnc1[C@@H]1CCN(CC(=O)c2c[nH]c3ncc(Br)cc23)C1 ZINC000660128032 565255201 /nfs/dbraw/zinc/25/52/01/565255201.db2.gz HWXZJDMJRHRIKT-LLVKDONJSA-N 1 0 388.269 2.731 20 0 GFADRO COCC[N@@H+]1CCC[C@@H](NC(=O)CCc2ccc(OC)c(Br)c2)C1 ZINC000592102729 565257170 /nfs/dbraw/zinc/25/71/70/565257170.db2.gz INVCPUKZZGLKFA-OAHLLOKOSA-N 1 0 399.329 2.617 20 0 GFADRO O=c1cc([C@@H]2CC[N@@H+](CCOc3cccc(Br)c3)C2)[nH]c(=O)[nH]1 ZINC000639736433 565258288 /nfs/dbraw/zinc/25/82/88/565258288.db2.gz YJIJWAILHQGADN-LLVKDONJSA-N 1 0 380.242 2.519 20 0 GFADRO O=C(CC[N@H+]1CC[C@@H](Oc2cncc(Br)c2)C1)NC1CCCC1 ZINC000639771059 565260348 /nfs/dbraw/zinc/26/03/48/565260348.db2.gz AJJGPLIBUKLQMT-OAHLLOKOSA-N 1 0 382.302 2.746 20 0 GFADRO C[NH+](C)C[C@H]1COC2(CCCC2)CN1S(=O)(=O)Cc1cccc(Cl)c1 ZINC000660150376 565260620 /nfs/dbraw/zinc/26/06/20/565260620.db2.gz JBYBOUZYNJEYQK-KRWDZBQOSA-N 1 0 386.945 2.745 20 0 GFADRO C[NH+](C)CCC[C@H]1CN(S(=O)(=O)c2cc(Cl)cc(Cl)c2)CCO1 ZINC000660159346 565261781 /nfs/dbraw/zinc/26/17/81/565261781.db2.gz SVLQOBPUPBNKIF-AWEZNQCLSA-N 1 0 381.325 2.725 20 0 GFADRO C[C@H](C[NH+](C)C)[C@@H]1CCCCN1C(=O)Nc1cc(Br)cn(C)c1=O ZINC000639786350 565261868 /nfs/dbraw/zinc/26/18/68/565261868.db2.gz JJSBAPOQCSUTOA-DOMZBBRYSA-N 1 0 399.333 2.732 20 0 GFADRO Brc1ccc2nc(C[N@@H+]3CCC[C@@H](n4ccnn4)CC3)cn2c1 ZINC000639816385 565263214 /nfs/dbraw/zinc/26/32/14/565263214.db2.gz JJYHRXRPJHMWCI-OAHLLOKOSA-N 1 0 375.274 2.916 20 0 GFADRO C[N@H+](Cc1ccc2nc(NC(=O)C(C)(C)S(C)(=O)=O)sc2c1)C1CC1 ZINC000617866698 565264264 /nfs/dbraw/zinc/26/42/64/565264264.db2.gz WNJDFZGUVMINRU-UHFFFAOYSA-N 1 0 381.523 2.652 20 0 GFADRO Cc1csc(C(=O)N2CC[NH2+][C@@H](C(C)C)C2)c1I ZINC000592245317 565264601 /nfs/dbraw/zinc/26/46/01/565264601.db2.gz GJRIPZBUPCAKOX-SNVBAGLBSA-N 1 0 378.279 2.731 20 0 GFADRO O=C(C[N@@H+]1CCC[C@H](n2ccnn2)CC1)Nc1ccc(Br)cc1 ZINC000639841929 565264674 /nfs/dbraw/zinc/26/46/74/565264674.db2.gz KPDHZOARZSJVFE-HNNXBMFYSA-N 1 0 378.274 2.706 20 0 GFADRO COC(=O)[C@@H]1CN(C(=O)CC[NH2+]C(C)C)C[C@H]1c1ccc(Br)cc1 ZINC000592283498 565267224 /nfs/dbraw/zinc/26/72/24/565267224.db2.gz YAFISFXTDUIGLZ-JKSUJKDBSA-N 1 0 397.313 2.552 20 0 GFADRO COC[C@](C)(CO)[NH2+]CC(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000639956524 565268952 /nfs/dbraw/zinc/26/89/52/565268952.db2.gz XVJFSJDCKMEUFG-WBVHZDCISA-N 1 0 375.296 2.644 20 0 GFADRO CC(C)S(=O)(=O)N1CC[C@@H]([NH2+]CCc2nsc3ccccc23)[C@H](C)C1 ZINC000660308776 565269740 /nfs/dbraw/zinc/26/97/40/565269740.db2.gz PUZYTAUCCJWRGU-GDBMZVCRSA-N 1 0 381.567 2.877 20 0 GFADRO O=C(N[C@@H]1CCC[NH2+]CC1)c1ccc(Cl)c(I)c1 ZINC000592330420 565269923 /nfs/dbraw/zinc/26/99/23/565269923.db2.gz NAPFAVCZKXRLTF-SNVBAGLBSA-N 1 0 378.641 2.817 20 0 GFADRO COc1ncc(Br)cc1C[N@H+](C)C1CCN(c2cnccn2)CC1 ZINC000660434760 565275337 /nfs/dbraw/zinc/27/53/37/565275337.db2.gz IDQSJGRQQWYKCC-UHFFFAOYSA-N 1 0 392.301 2.744 20 0 GFADRO C[C@H](c1ccc(Cl)cc1)N(C)C(=O)CN1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000640052391 565277395 /nfs/dbraw/zinc/27/73/95/565277395.db2.gz AAHIFZTYPKVRKB-OSAQELSMSA-N 1 0 378.822 2.962 20 0 GFADRO CN(CC1C[NH+](C)C1)C(=O)[C@@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1 ZINC000618195340 565279691 /nfs/dbraw/zinc/27/96/91/565279691.db2.gz DVECZQFAJCTCMH-INIZCTEOSA-N 1 0 384.307 2.618 20 0 GFADRO C[C@H](NC(=O)c1cnn2c1[C@@H](C[NH3+])CCC2)c1ccc(Br)cc1 ZINC000592507048 565280010 /nfs/dbraw/zinc/28/00/10/565280010.db2.gz XYUWWUSTDMUALP-WCQYABFASA-N 1 0 377.286 2.973 20 0 GFADRO [NH3+]C[C@H]1CCCn2ncc(C(=O)NCCc3cc(Br)ccc3F)c21 ZINC000592500141 565280049 /nfs/dbraw/zinc/28/00/49/565280049.db2.gz DCGQJBYKKRGRMU-GFCCVEGCSA-N 1 0 395.276 2.593 20 0 GFADRO CC1(C)C[NH2+][C@@H]1C(=O)N1CCC[C@H]1c1ccccc1I ZINC000592533162 565280876 /nfs/dbraw/zinc/28/08/76/565280876.db2.gz UJMFKXDQZCBKJT-UONOGXRCSA-N 1 0 384.261 2.953 20 0 GFADRO CN(C)CC[N@H+](C)CCCN(C)C(=O)Nc1cscc1Br ZINC000640190242 565286383 /nfs/dbraw/zinc/28/63/83/565286383.db2.gz QYRNZTGXPLFHGK-UHFFFAOYSA-N 1 0 377.352 2.858 20 0 GFADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)NCc1sc(C)cc1Br ZINC000660700053 565289650 /nfs/dbraw/zinc/28/96/50/565289650.db2.gz IWXQXDVNSNVOKE-LBPRGKRZSA-N 1 0 390.347 2.729 20 0 GFADRO C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@H]1CSCc2ccc(Br)cc21 ZINC000618361258 565293162 /nfs/dbraw/zinc/29/31/62/565293162.db2.gz IQYGSJJVOBUWEK-LRDDRELGSA-N 1 0 399.354 2.822 20 0 GFADRO C[C@@H]1[C@H](C(=O)NCc2ccc(I)c(Cl)c2)CC[N@@H+]1C ZINC000592797198 565296257 /nfs/dbraw/zinc/29/62/57/565296257.db2.gz XKJULWYXSNNFMR-MWLCHTKSSA-N 1 0 392.668 2.901 20 0 GFADRO O=C(NCC1CC[NH+](C2CC2)CC1)Nc1nn(CC(F)(F)F)cc1Cl ZINC000640302636 565296695 /nfs/dbraw/zinc/29/66/95/565296695.db2.gz SYWVQFWMXNNXOU-UHFFFAOYSA-N 1 0 379.814 3.095 20 0 GFADRO O=C(NC1CC[NH+](CCSc2ccc(Cl)cc2)CC1)N1CCOCC1 ZINC000660859870 565297026 /nfs/dbraw/zinc/29/70/26/565297026.db2.gz UXFLWIXPSHSZDR-UHFFFAOYSA-N 1 0 383.945 2.938 20 0 GFADRO Cn1cc(Br)c(NC(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)n1 ZINC000640308292 565298239 /nfs/dbraw/zinc/29/82/39/565298239.db2.gz NVZVVNXAKHICMT-HNNXBMFYSA-N 1 0 392.301 3.141 20 0 GFADRO O=C(NCCC[NH+]1CCCCC1)Nc1nnc(C(F)(F)C(F)(F)F)s1 ZINC000640383737 565305115 /nfs/dbraw/zinc/30/51/15/565305115.db2.gz OXLPIAFYTAIDJS-UHFFFAOYSA-N 1 0 387.378 3.190 20 0 GFADRO CC[C@@H]1C[N@H+](CC)CCN1C(=O)Nc1nnc(C(F)(F)C(F)(F)F)s1 ZINC000640386711 565306403 /nfs/dbraw/zinc/30/64/03/565306403.db2.gz KAMNKIAYANOFJB-MRVPVSSYSA-N 1 0 387.378 3.140 20 0 GFADRO OC[C@H]([NH2+]Cc1cc(Cl)ccc1I)C1CCOCC1 ZINC000593023341 565307901 /nfs/dbraw/zinc/30/79/01/565307901.db2.gz QIYWCMHOLQVCNZ-AWEZNQCLSA-N 1 0 395.668 2.822 20 0 GFADRO Cc1c(Br)cc(C(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)c(=O)n1C ZINC000618669405 565311088 /nfs/dbraw/zinc/31/10/88/565311088.db2.gz IQJSJMGJRANNQY-ZDUSSCGKSA-N 1 0 396.329 2.593 20 0 GFADRO Cc1c(Br)cncc1C(=O)N1CCCN(c2cc[nH+]cc2)CC1 ZINC000640443875 565311342 /nfs/dbraw/zinc/31/13/42/565311342.db2.gz WIYGNMBPEMTGGM-UHFFFAOYSA-N 1 0 375.270 2.900 20 0 GFADRO CC[C@H]([NH2+]C[C@]1(O)CCO[C@@H]1C)c1ccc(I)cc1 ZINC000618992032 565324099 /nfs/dbraw/zinc/32/40/99/565324099.db2.gz AXEMBBCPALGRQW-BYCMXARLSA-N 1 0 375.250 2.872 20 0 GFADRO C[NH+](C)CCc1cn(CC(=O)Nc2cc(Cl)c(Cl)cc2Cl)nn1 ZINC000640762484 565325429 /nfs/dbraw/zinc/32/54/29/565325429.db2.gz XYUJGJDETACODE-UHFFFAOYSA-N 1 0 376.675 2.981 20 0 GFADRO C[C@@H](C(=O)Nc1ccc(Br)cc1)n1cc(C[C@@H]2CCC[NH2+]C2)nn1 ZINC000640800728 565328197 /nfs/dbraw/zinc/32/81/97/565328197.db2.gz IARDGBSQOOSUND-STQMWFEESA-N 1 0 392.301 2.782 20 0 GFADRO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[N@@H+]1CC[C@@H]2NC(=O)CC[C@H]2C1 ZINC000661600071 565330505 /nfs/dbraw/zinc/33/05/05/565330505.db2.gz LGWKHRMJVBPERD-BBRMVZONSA-N 1 0 384.307 2.552 20 0 GFADRO Cc1ccc(NC(=O)[C@H](C)n2cc(C[C@H]3CC[NH2+]C3)nn2)c(Br)c1 ZINC000640886293 565334804 /nfs/dbraw/zinc/33/48/04/565334804.db2.gz HXQKJALOHAFYNZ-QWHCGFSZSA-N 1 0 392.301 2.701 20 0 GFADRO CCCCNC(=O)[C@@H](C)n1cc([C@@H]([NH3+])c2ccc(Br)cc2)nn1 ZINC000640903936 565336003 /nfs/dbraw/zinc/33/60/03/565336003.db2.gz IXDNGHGTUYMULN-ABAIWWIYSA-N 1 0 380.290 2.566 20 0 GFADRO C[C@H](C(=O)Nc1ccccc1Br)n1cc([C@@H]2CCC[NH2+]C2)nn1 ZINC000640901068 565336247 /nfs/dbraw/zinc/33/62/47/565336247.db2.gz ICSIMNGMECPZDJ-VXGBXAGGSA-N 1 0 378.274 2.707 20 0 GFADRO CCC(CC)NC(=O)[C@H](C)n1cc([C@@H]([NH3+])c2ccc(Br)cc2)nn1 ZINC000640906354 565336523 /nfs/dbraw/zinc/33/65/23/565336523.db2.gz HHGWQQLBECLDQN-ZBEGNZNMSA-N 1 0 394.317 2.955 20 0 GFADRO CC[C@@](C)([NH3+])c1cn([C@@H](C)C(=O)N(C)Cc2ccc(Br)cc2)nn1 ZINC000640926285 565337546 /nfs/dbraw/zinc/33/75/46/565337546.db2.gz PIHYBGSDXJWORW-YVEFUNNKSA-N 1 0 394.317 2.844 20 0 GFADRO C[C@@H](c1nc(C2CC2)no1)n1cc([C@@H]([NH3+])c2ccc(Br)cc2)nn1 ZINC000640936724 565338373 /nfs/dbraw/zinc/33/83/73/565338373.db2.gz FXUYSUXWSYHILB-XPTSAGLGSA-N 1 0 389.257 2.958 20 0 GFADRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N1CCc2[nH]c3c(cccc3Br)c2C1 ZINC000640941528 565338569 /nfs/dbraw/zinc/33/85/69/565338569.db2.gz HMYJXPXGPSNMOW-BZNIZROVSA-N 1 0 391.313 2.996 20 0 GFADRO CCC[C@H]([NH3+])c1cn(CC(=O)N(C)Cc2cc(Br)cs2)nn1 ZINC000640980180 565339958 /nfs/dbraw/zinc/33/99/58/565339958.db2.gz RSBPKSKDRJVGJP-LBPRGKRZSA-N 1 0 386.319 2.561 20 0 GFADRO CC(C)c1nnc(Cn2cc([C@H]([NH3+])c3ccc(Br)cc3)nn2)o1 ZINC000641035829 565341901 /nfs/dbraw/zinc/34/19/01/565341901.db2.gz BRFMQRPBYQTPHM-CQSZACIVSA-N 1 0 377.246 2.643 20 0 GFADRO Brc1ccc(-c2cnc(Cn3cc(C[C@@H]4CC[NH2+]C4)nn3)o2)cc1 ZINC000641073895 565344541 /nfs/dbraw/zinc/34/45/41/565344541.db2.gz ZJVJHIGBNPUGPF-LBPRGKRZSA-N 1 0 388.269 2.896 20 0 GFADRO [NH3+]C[C@H](O)CCc1cn(CCSc2ccnc3cc(Cl)ccc32)nn1 ZINC000641103481 565345204 /nfs/dbraw/zinc/34/52/04/565345204.db2.gz KRVXBKGXEPUBLE-CQSZACIVSA-N 1 0 377.901 2.524 20 0 GFADRO O=C1[C@H](n2cc(C[C@@H]3CC[NH2+]C3)nn2)CCN1c1ccc(Cl)cc1Cl ZINC000641107364 565345834 /nfs/dbraw/zinc/34/58/34/565345834.db2.gz GYRYCQGBQGYCLT-MEDUHNTESA-N 1 0 380.279 2.715 20 0 GFADRO CC[C@H]([NH2+]C[C@H](CO)[C@@H]1CCOC1)c1ccc(I)cc1 ZINC000619508778 565345890 /nfs/dbraw/zinc/34/58/90/565345890.db2.gz HAJMLKUXJMDTDM-FMKPAKJESA-N 1 0 389.277 2.977 20 0 GFADRO CC[C@@](C)([NH3+])c1cn([C@@H]2CCN(c3cccc(Br)c3)C2=O)nn1 ZINC000641105054 565345984 /nfs/dbraw/zinc/34/59/84/565345984.db2.gz OHNAXQROMIJEQH-CZUORRHYSA-N 1 0 378.274 2.603 20 0 GFADRO Cc1cc(N2CCC[C@@H](n3cc(CCC[NH3+])nn3)C2=O)ccc1Br ZINC000641116007 565346872 /nfs/dbraw/zinc/34/68/72/565346872.db2.gz BKYCUITXHLPHBZ-MRXNPFEDSA-N 1 0 392.301 2.608 20 0 GFADRO CCOC(=O)C(C)(C)CCC[C@H](C)[NH2+]C[C@@H]1CCCCN1S(C)(=O)=O ZINC000593626853 565349248 /nfs/dbraw/zinc/34/92/48/565349248.db2.gz HOOXEYATAWDNKU-HOTGVXAUSA-N 1 0 376.563 2.538 20 0 GFADRO C[NH2+]C[C@@H]1CCCN1C(=O)Cc1ccc(Br)c(Br)c1 ZINC000662426732 565367421 /nfs/dbraw/zinc/36/74/21/565367421.db2.gz AVFHENXTZPNIJG-NSHDSACASA-N 1 0 390.119 2.965 20 0 GFADRO CN(Cc1cccc2c1CC[NH2+]C2)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000662277013 565357784 /nfs/dbraw/zinc/35/77/84/565357784.db2.gz CJPPLIUGVOACMO-SFHVURJKSA-N 1 0 388.309 2.753 20 0 GFADRO C[C@@H](CCC[NH3+])NC(=O)Cc1ccc(Br)c(Br)c1 ZINC000662567427 565376986 /nfs/dbraw/zinc/37/69/86/565376986.db2.gz DRYMDAKGTSSWDF-VIFPVBQESA-N 1 0 378.108 2.998 20 0 GFADRO COc1ccc(I)c(NC(=O)NCCC2(C[NH3+])CC2)c1 ZINC000593759910 565359463 /nfs/dbraw/zinc/35/94/63/565359463.db2.gz BKKDTOXTNRRRJY-UHFFFAOYSA-N 1 0 389.237 2.550 20 0 GFADRO Cc1ccc(NC(=O)CN2CCO[C@H](CCC[NH+](C)C)C2)c(Br)c1 ZINC000662323525 565360727 /nfs/dbraw/zinc/36/07/27/565360727.db2.gz XLDDVVKZOIWZCR-OAHLLOKOSA-N 1 0 398.345 2.739 20 0 GFADRO N[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1Br ZINC000662341499 565361620 /nfs/dbraw/zinc/36/16/20/565361620.db2.gz QMHLJBYGWKXWFA-YJBOKZPZSA-N 1 0 388.309 2.840 20 0 GFADRO CCN(Cc1ccc(C[NH+](C)C)cc1)S(=O)(=O)Cc1cc(OC)ns1 ZINC000641314423 565362095 /nfs/dbraw/zinc/36/20/95/565362095.db2.gz FQEUGEHHKXZINK-UHFFFAOYSA-N 1 0 383.539 2.565 20 0 GFADRO CCC[N@@H+]1CC[C@@H](NC(=O)[C@@]23CCC(=O)N2c2cc(Cl)ccc2S3)C1 ZINC000619895524 565362495 /nfs/dbraw/zinc/36/24/95/565362495.db2.gz UNOHEPDBQIWNFN-ACJLOTCBSA-N 1 0 379.913 2.869 20 0 GFADRO [NH3+]C[C@]12CCC[C@H]1CN(C(=O)c1cc(F)ccc1I)C2 ZINC000593911647 565367329 /nfs/dbraw/zinc/36/73/29/565367329.db2.gz ICLBQHIADLBSMJ-BONVTDFDSA-N 1 0 388.224 2.631 20 0 GFADRO CCC[NH+]1CCC(CNC(=O)c2sc3c(c2Br)CNC3)CC1 ZINC000662431616 565367392 /nfs/dbraw/zinc/36/73/92/565367392.db2.gz KQMSOJMSZDFAET-UHFFFAOYSA-N 1 0 386.359 2.966 20 0 GFADRO Cc1cc(NC(=O)c2cn([C@H]3CCC[NH2+]CC3)nn2)ccc1Br ZINC000662435064 565367545 /nfs/dbraw/zinc/36/75/45/565367545.db2.gz QVXATGMFGBRSOH-ZDUSSCGKSA-N 1 0 378.274 2.916 20 0 GFADRO COc1ccc(Br)cc1CN(C)C(=O)c1cc(C(C)(C)[NH3+])no1 ZINC000662443182 565368692 /nfs/dbraw/zinc/36/86/92/565368692.db2.gz DUNGLDZJDYYAGV-UHFFFAOYSA-N 1 0 382.258 2.912 20 0 GFADRO [NH3+]C[C@H]1OCC[C@@H]1C(=O)Nc1ncc(Cc2ccc(Br)cc2)s1 ZINC000662457654 565369680 /nfs/dbraw/zinc/36/96/80/565369680.db2.gz CNKNNFXPFSBSTK-UONOGXRCSA-N 1 0 396.310 2.799 20 0 GFADRO O=C(c1cc(-c2cccc(Br)c2)no1)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000662519148 565374094 /nfs/dbraw/zinc/37/40/94/565374094.db2.gz NLCZZVSCXUBGRE-ABAIWWIYSA-N 1 0 376.254 2.928 20 0 GFADRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)c2cc(I)c(F)cc2F)C1 ZINC000594102184 565375410 /nfs/dbraw/zinc/37/54/10/565375410.db2.gz HMRJSOFKXMPBMW-DTORHVGOSA-N 1 0 394.203 2.639 20 0 GFADRO CC[C@@H]([NH2+]C)C(=O)N(CCn1ccnc1)Cc1ccccc1Br ZINC000662546492 565376005 /nfs/dbraw/zinc/37/60/05/565376005.db2.gz VAFJRJJGHKEXMH-MRXNPFEDSA-N 1 0 379.302 2.672 20 0 GFADRO COC(=O)c1cc(Br)cc(C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)c1 ZINC000594198674 565378464 /nfs/dbraw/zinc/37/84/64/565378464.db2.gz USPNWEJQSGYZRL-HOTGVXAUSA-N 1 0 395.297 2.982 20 0 GFADRO O=C(N1CCc2cccc(Br)c2C1)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662612570 565379334 /nfs/dbraw/zinc/37/93/34/565379334.db2.gz UUHOSHXJZQQHSO-CQSZACIVSA-N 1 0 377.204 2.876 20 0 GFADRO COc1ncc(C(=O)N2CCC[C@@H](C3CC[NH2+]CC3)C2)cc1Br ZINC000662593852 565379531 /nfs/dbraw/zinc/37/95/31/565379531.db2.gz NTFUZCZVIWAGHN-CYBMUJFWSA-N 1 0 382.302 2.705 20 0 GFADRO O=C(Nc1nnc(-c2cc(Cl)cc(Cl)c2)s1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000662623994 565379889 /nfs/dbraw/zinc/37/98/89/565379889.db2.gz IOXLFXRIPQRHNL-VFZGTOFNSA-N 1 0 385.276 2.686 20 0 GFADRO O=C([C@@H]1CC12CC[NH2+]CC2)N1CCOC[C@@H]1c1ccc(Br)cc1 ZINC000662661920 565380634 /nfs/dbraw/zinc/38/06/34/565380634.db2.gz XLDKWTZFWBBPFT-JKSUJKDBSA-N 1 0 379.298 2.739 20 0 GFADRO O=C(N1CCN(c2ncc(Cl)cc2Cl)CC1)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662673831 565380883 /nfs/dbraw/zinc/38/08/83/565380883.db2.gz SHRDEEVNBXIJTI-AWEZNQCLSA-N 1 0 397.228 2.579 20 0 GFADRO CC1(C)CC[NH2+][C@H]1C(=O)NC[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000662692032 565382416 /nfs/dbraw/zinc/38/24/16/565382416.db2.gz MISRXLDRHHWHCS-CJNGLKHVSA-N 1 0 380.330 2.780 20 0 GFADRO CN[C@@H](C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1)c1cccc(Cl)c1Cl ZINC000662707517 565383383 /nfs/dbraw/zinc/38/33/83/565383383.db2.gz GGKHNVFUPPQPGY-SUMWQHHRSA-N 1 0 386.323 2.623 20 0 GFADRO CC(C)n1cc(Br)cc1C(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000620482231 565386363 /nfs/dbraw/zinc/38/63/63/565386363.db2.gz MASCSIXENDZCIO-HNNXBMFYSA-N 1 0 384.318 2.503 20 0 GFADRO CC(C)(C(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1)c1cccc(Br)c1 ZINC000620483742 565386388 /nfs/dbraw/zinc/38/63/88/565386388.db2.gz ATWMAFSJIXHDJC-KRWDZBQOSA-N 1 0 395.341 2.784 20 0 GFADRO [NH3+]C[C@@H](NC(=O)CSCc1ccc(Br)cc1F)C(F)(F)F ZINC000594451366 565386518 /nfs/dbraw/zinc/38/65/18/565386518.db2.gz LPBBGZAHLNFOHG-SNVBAGLBSA-N 1 0 389.212 2.827 20 0 GFADRO [NH3+]C[C@@H](NC(=O)c1ccc(I)cc1Cl)C(F)(F)F ZINC000594450632 565386554 /nfs/dbraw/zinc/38/65/54/565386554.db2.gz IJAAFVHWMQFMDA-MRVPVSSYSA-N 1 0 392.546 2.564 20 0 GFADRO O=C(N[C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1sc2c(c1Br)CNC2 ZINC000662835627 565386753 /nfs/dbraw/zinc/38/67/53/565386753.db2.gz QLFNONQSHSMZPN-RYUDHWBXSA-N 1 0 384.343 2.861 20 0 GFADRO C[C@@H](C[NH+](C)C)[C@@H]1CCCCN1S(=O)(=O)c1ncccc1C(F)(F)F ZINC000641622865 565386732 /nfs/dbraw/zinc/38/67/32/565386732.db2.gz CUMBUTNKTLWZOM-JSGCOSHPSA-N 1 0 379.448 2.841 20 0 GFADRO [NH3+]C[C@H]1OCC[C@H]1C(=O)N1CCN(c2cc(Cl)c(Cl)c(Cl)c2)CC1 ZINC000662834106 565386968 /nfs/dbraw/zinc/38/69/68/565386968.db2.gz YNACHAZKJYDWCI-BXUZGUMPSA-N 1 0 392.714 2.659 20 0 GFADRO [NH3+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCO[C@H]1c1cncc(Br)c1)C2 ZINC000662828873 565387241 /nfs/dbraw/zinc/38/72/41/565387241.db2.gz NNNSKJZRDSPZII-DNMXQMFDSA-N 1 0 394.313 2.509 20 0 GFADRO C[C@@H](C[NH+](C)C)[C@H]1CCCCN1S(=O)(=O)c1cnccc1C(F)(F)F ZINC000641625812 565388213 /nfs/dbraw/zinc/38/82/13/565388213.db2.gz XNQNNCXTCRXKLW-GXTWGEPZSA-N 1 0 379.448 2.841 20 0 GFADRO C[C@@H]1[C@@H](c2ccc(Br)cc2)OCCN1C(=O)C[C@H]1CSCC[NH2+]1 ZINC000662859664 565388643 /nfs/dbraw/zinc/38/86/43/565388643.db2.gz RNKTYTPOYPXNAK-PVUWLOKVSA-N 1 0 399.354 2.833 20 0 GFADRO C[C@@]([NH3+])(C(=O)N[C@H]1COc2cc(F)ccc2C1)c1ccc(Br)cc1 ZINC000662874209 565388718 /nfs/dbraw/zinc/38/87/18/565388718.db2.gz GOCBFZYSYZNXGI-QAPCUYQASA-N 1 0 393.256 2.882 20 0 GFADRO C[C@@H]1[C@@H](c2ccc(Br)cc2)OCCN1C(=O)C[C@@H]1CSCC[NH2+]1 ZINC000662859665 565388773 /nfs/dbraw/zinc/38/87/73/565388773.db2.gz RNKTYTPOYPXNAK-VMGRFDJRSA-N 1 0 399.354 2.833 20 0 GFADRO CCC[N@H+](C)CC(C)(C)NC(=O)c1ccc(Cl)c(NS(C)(=O)=O)c1 ZINC000620623977 565389276 /nfs/dbraw/zinc/38/92/76/565389276.db2.gz KEDYXEVVWJOEEC-UHFFFAOYSA-N 1 0 375.922 2.562 20 0 GFADRO O=C([C@@H]1CC12CC[NH2+]CC2)N1CCOC[C@H]1c1cccc(Br)c1 ZINC000662885395 565389624 /nfs/dbraw/zinc/38/96/24/565389624.db2.gz ZNDSKUJTZWDESJ-HOTGVXAUSA-N 1 0 379.298 2.739 20 0 GFADRO N[C@H](C(=O)NCC1CC[NH+](CC2CC2)CC1)c1ccccc1Br ZINC000662980360 565391079 /nfs/dbraw/zinc/39/10/79/565391079.db2.gz ONSHBNBSMCJXLS-KRWDZBQOSA-N 1 0 380.330 2.687 20 0 GFADRO O=C(C[C@@H]1CSCC[NH2+]1)Nc1cccc(S(=O)(=O)c2ccccc2)c1 ZINC000662969166 565391313 /nfs/dbraw/zinc/39/13/13/565391313.db2.gz KMFDJEFPUYNUPL-OAHLLOKOSA-N 1 0 376.503 2.553 20 0 GFADRO CCOc1cc(Br)c(CC(=O)N[C@@]2(C)CC[NH2+]C2)cc1OCC ZINC000663004379 565392639 /nfs/dbraw/zinc/39/26/39/565392639.db2.gz DTOMZAQOEDQWOG-KRWDZBQOSA-N 1 0 385.302 2.657 20 0 GFADRO C[C@@]1(NC(=O)Cc2csc(-c3cccc(Br)c3)n2)CC[NH2+]C1 ZINC000663010573 565393636 /nfs/dbraw/zinc/39/36/36/565393636.db2.gz PLDRCVBCTCGLRY-MRXNPFEDSA-N 1 0 380.311 2.983 20 0 GFADRO Cc1nn(C)c(S(=O)(=O)N(C)CCCC[NH+]2CCCCC2)c1C(F)F ZINC000641698297 565395127 /nfs/dbraw/zinc/39/51/27/565395127.db2.gz URDFGZQMZZHSDW-UHFFFAOYSA-N 1 0 378.489 2.553 20 0 GFADRO CC(C)(C[NH2+]Cc1ccncc1N)S(=O)(=O)c1ccc(Br)cc1 ZINC000641728577 565397500 /nfs/dbraw/zinc/39/75/00/565397500.db2.gz VEZRWMSSXOBISF-UHFFFAOYSA-N 1 0 398.326 2.768 20 0 GFADRO O=C(Nc1ccc(Br)cn1)[C@H]1CCC[N@@H+](CCC2(O)CCC2)C1 ZINC000663172321 565397785 /nfs/dbraw/zinc/39/77/85/565397785.db2.gz IPZUGDAHOOZEQT-ZDUSSCGKSA-N 1 0 382.302 2.800 20 0 GFADRO CC(=O)NC[C@@H]1CCC[N@H+](C[C@@H](O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000620807934 565398371 /nfs/dbraw/zinc/39/83/71/565398371.db2.gz FAUNMGBKGVQYEM-UONOGXRCSA-N 1 0 375.296 2.581 20 0 GFADRO C[C@@H]1C[NH+](CCCNC(=O)COc2ccc(Cl)c(Cl)c2)C[C@@H](C)O1 ZINC000641880105 565400588 /nfs/dbraw/zinc/40/05/88/565400588.db2.gz IWGHBQIJGWNKBZ-CHWSQXEVSA-N 1 0 375.296 2.988 20 0 GFADRO CC[C@@H]1CN(C(=O)C[C@H](NC(C)=O)c2ccc(Br)cc2)C[C@H](C)[NH2+]1 ZINC000620906565 565401040 /nfs/dbraw/zinc/40/10/40/565401040.db2.gz IEBZPHKUSKFZGH-VUCTXSBTSA-N 1 0 396.329 2.615 20 0 GFADRO C[NH+](C)C[C@@H]1COC2(CCCC2)CN1C(=O)c1cc(Br)ccc1O ZINC000620914223 565402417 /nfs/dbraw/zinc/40/24/17/565402417.db2.gz LYSBEAMLHWBNJB-CQSZACIVSA-N 1 0 397.313 2.870 20 0 GFADRO Cc1c(Br)cncc1C(=O)N1CC2(CCCC2)OC[C@H]1C[NH+](C)C ZINC000620917919 565402454 /nfs/dbraw/zinc/40/24/54/565402454.db2.gz PDGGQLYNTOCNJW-CQSZACIVSA-N 1 0 396.329 2.868 20 0 GFADRO Cc1cc(N2C[C@H](C(=O)NCC(C)(C)[NH+](C)C)CC2=O)ccc1Br ZINC000641999536 565403030 /nfs/dbraw/zinc/40/30/30/565403030.db2.gz PEUSSLZOUFHPTE-CYBMUJFWSA-N 1 0 396.329 2.567 20 0 GFADRO Cc1ccc(CC(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)c(Br)c1 ZINC000620979210 565403164 /nfs/dbraw/zinc/40/31/64/565403164.db2.gz QXCWSJGOHIBISP-INIZCTEOSA-N 1 0 383.330 2.869 20 0 GFADRO O=C(NC[C@H]1CCC[N@H+](CC2CC2)C1)c1[nH]nc(C2CC2)c1Br ZINC000621104291 565405877 /nfs/dbraw/zinc/40/58/77/565405877.db2.gz VOGMJNAULHNUDK-GFCCVEGCSA-N 1 0 381.318 2.901 20 0 GFADRO CC(C)[C@H]1CN(C(=O)c2cc(=O)[nH]c3c(Br)cccc23)CC[NH2+]1 ZINC000621154489 565407923 /nfs/dbraw/zinc/40/79/23/565407923.db2.gz MFJWEBZCSYDMDR-CQSZACIVSA-N 1 0 378.270 2.773 20 0 GFADRO NC(=O)[C@@H]([NH2+]C[C@H]1CCN1Cc1ccccc1)c1cccc(Br)c1 ZINC000663311703 565411752 /nfs/dbraw/zinc/41/17/52/565411752.db2.gz POYJUWRCRGWQLI-MSOLQXFVSA-N 1 0 388.309 2.840 20 0 GFADRO NC(=O)[C@H]([NH2+]C[C@@H]1CCN1Cc1ccccc1)c1ccc(Br)cc1 ZINC000663312466 565411994 /nfs/dbraw/zinc/41/19/94/565411994.db2.gz XZZZBQHWAMQPAC-ZWKOTPCHSA-N 1 0 388.309 2.840 20 0 GFADRO CCOc1ccc(Br)cc1S(=O)(=O)NC[C@@H](C)[NH+]1CCCC1 ZINC000642515122 565413481 /nfs/dbraw/zinc/41/34/81/565413481.db2.gz MRHVQCUPXXWPMC-GFCCVEGCSA-N 1 0 391.331 2.610 20 0 GFADRO CC1(C)OCC[C@H]1C[NH2+]CCS(=O)(=O)c1cccc(Br)c1 ZINC000663370457 565414653 /nfs/dbraw/zinc/41/46/53/565414653.db2.gz LENUQVXFJCOSFJ-LBPRGKRZSA-N 1 0 376.316 2.628 20 0 GFADRO O=C(CC[NH2+]C1CCN([C@@H]2CCOC2)CC1)Nc1cccc(Br)c1 ZINC000663363335 565414810 /nfs/dbraw/zinc/41/48/10/565414810.db2.gz JPDXWSPEBCLJSR-QGZVFWFLSA-N 1 0 396.329 2.621 20 0 GFADRO O[C@@H](C[NH2+]CC1CCC(O)CC1)COc1ccc(Cl)cc1Br ZINC000663364919 565415003 /nfs/dbraw/zinc/41/50/03/565415003.db2.gz CUDOYQOKMYFUPV-UBHUBRDASA-N 1 0 392.721 2.983 20 0 GFADRO COc1cc(C[NH2+][C@@H]2CCCC[C@@H]2N2CCOCC2)c(Br)cn1 ZINC000621285386 565416000 /nfs/dbraw/zinc/41/60/00/565416000.db2.gz XHTYPXRDWMSWHG-CVEARBPZSA-N 1 0 384.318 2.586 20 0 GFADRO CC(C)C(=O)NC1CC[NH+](C[C@@H](O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000642624538 565416173 /nfs/dbraw/zinc/41/61/73/565416173.db2.gz CWMNJZCVUGRPEH-CQSZACIVSA-N 1 0 389.323 2.970 20 0 GFADRO COc1cc(C[NH2+][C@@H]2CCC[C@@H]3CN(C(C)=O)C[C@H]32)c(Br)cn1 ZINC000621296158 565416762 /nfs/dbraw/zinc/41/67/62/565416762.db2.gz JDWHQRHOCIMJBE-XNRPHZJLSA-N 1 0 382.302 2.589 20 0 GFADRO O[C@@H](C[NH2+][C@@H]1CCCSc2ccc(Br)cc21)Cn1ccnn1 ZINC000663449889 565421348 /nfs/dbraw/zinc/42/13/48/565421348.db2.gz UAURHOBOOPJKJJ-GXTWGEPZSA-N 1 0 383.315 2.618 20 0 GFADRO COc1cc(CN2CC[C@@H](F)[C@H]([NH3+])C2)cc(Br)c1OC(F)F ZINC000663507411 565423783 /nfs/dbraw/zinc/42/37/83/565423783.db2.gz WJYRWEPPOULLIA-GHMZBOCLSA-N 1 0 383.208 2.930 20 0 GFADRO C[C@H](C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1)c1cccc(Br)c1 ZINC000643205991 565424640 /nfs/dbraw/zinc/42/46/40/565424640.db2.gz RAWDXEJYTFXSPU-WMLDXEAASA-N 1 0 394.357 2.837 20 0 GFADRO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)NCc1cc(Br)cs1 ZINC000663705494 565431267 /nfs/dbraw/zinc/43/12/67/565431267.db2.gz WRNXSMRUIULTBH-LBPRGKRZSA-N 1 0 391.379 2.582 20 0 GFADRO [NH3+][C@H]1C[C@H]2CN(C(=O)c3sc4cccc(Cl)c4c3Cl)CCN2C1=O ZINC000594876840 565433907 /nfs/dbraw/zinc/43/39/07/565433907.db2.gz CJXGSZXSJOHYGQ-WPRPVWTQSA-N 1 0 384.288 2.592 20 0 GFADRO COc1cc(Br)c(CNC(=O)CC[C@H]2CCC[NH2+]C2)cc1OC ZINC000621633278 565433906 /nfs/dbraw/zinc/43/39/06/565433906.db2.gz SRIMFGJDQIDRQS-GFCCVEGCSA-N 1 0 385.302 2.862 20 0 GFADRO [NH3+]CCN(CCc1ccccc1)C(=O)c1cc2c(cc1Br)OCO2 ZINC000621657015 565435074 /nfs/dbraw/zinc/43/50/74/565435074.db2.gz AOKFVPTVUKFREZ-UHFFFAOYSA-N 1 0 391.265 2.821 20 0 GFADRO C[C@@H]1CCN(C(=O)C2(c3ccc(Br)cc3)CCOCC2)C[C@@H]1C[NH3+] ZINC000643604177 565435238 /nfs/dbraw/zinc/43/52/38/565435238.db2.gz VUGZHQUXBYRZAL-CABCVRRESA-N 1 0 395.341 2.941 20 0 GFADRO CC[C@H](N[C@H]1CC[NH2+]C2(CCC2)C1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000643547470 565435504 /nfs/dbraw/zinc/43/55/04/565435504.db2.gz FVXVKCLJCYNOKM-HOCLYGCPSA-N 1 0 385.961 2.964 20 0 GFADRO COC(=O)[C@@H]1C[C@H]1[C@@H](C)[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000594930776 565435657 /nfs/dbraw/zinc/43/56/57/565435657.db2.gz IUTBRDIBJJRUAY-UHOFOFEASA-N 1 0 397.313 2.573 20 0 GFADRO O=C(CNC(=O)c1ccc(Cl)c(Cl)c1)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000643597801 565435688 /nfs/dbraw/zinc/43/56/88/565435688.db2.gz ZJBNGLPINHYGBE-BBRMVZONSA-N 1 0 384.307 2.714 20 0 GFADRO C[C@H]1CC2(CN1C(=O)c1cc3c(cc1Br)OCO3)CC[NH2+]CC2 ZINC000621666373 565435767 /nfs/dbraw/zinc/43/57/67/565435767.db2.gz NWUCSXYWABBPMD-NSHDSACASA-N 1 0 381.270 2.782 20 0 GFADRO [NH3+][C@@]12CCC[C@H]1CN(C(=O)CCNc1ncc(C(F)(F)F)cc1Cl)C2 ZINC000621689964 565437001 /nfs/dbraw/zinc/43/70/01/565437001.db2.gz OFXHTCBAVNUDBF-ZUZCIYMTSA-N 1 0 376.810 2.896 20 0 GFADRO [NH3+][C@@]12CCC[C@@H]1CN(C(=O)CNC(=O)c1sc3ccccc3c1Cl)C2 ZINC000621682276 565437183 /nfs/dbraw/zinc/43/71/83/565437183.db2.gz CMQAGGFISKCHEW-ADLMAVQZSA-N 1 0 377.897 2.624 20 0 GFADRO [NH3+][C@]12CCC[C@H]1CN(C(=O)c1[nH]nc(-c3ccccc3)c1Br)C2 ZINC000621682665 565437247 /nfs/dbraw/zinc/43/72/47/565437247.db2.gz JPZXJGSGWRMAPR-SJCJKPOMSA-N 1 0 375.270 2.793 20 0 GFADRO COc1cc(C[NH2+][C@H](CO)C2CCC2)cc(I)c1OC ZINC000594957581 565437583 /nfs/dbraw/zinc/43/75/83/565437583.db2.gz UGOAMAKTIRNGAS-CYBMUJFWSA-N 1 0 391.249 2.559 20 0 GFADRO Cc1c(C(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)cnn1-c1ccc(Br)cc1 ZINC000621696580 565438034 /nfs/dbraw/zinc/43/80/34/565438034.db2.gz PRQIIWBLILQRRB-FZKQIMNGSA-N 1 0 389.297 2.897 20 0 GFADRO CNC(=O)C[NH+]1CCC(N[C@@H](c2ccc(Br)cc2)C(F)F)CC1 ZINC000621750001 565439658 /nfs/dbraw/zinc/43/96/58/565439658.db2.gz GTVACLDQUJJHAA-HNNXBMFYSA-N 1 0 390.272 2.555 20 0 GFADRO COC(=O)c1cc(C[NH2+]CCc2ccc(I)cc2)c[nH]1 ZINC000594993952 565439763 /nfs/dbraw/zinc/43/97/63/565439763.db2.gz AURLQNVLYPPQMN-UHFFFAOYSA-N 1 0 384.217 2.738 20 0 GFADRO O=C1CCCN1CCC[NH2+][C@@H]1CCc2ccc(I)cc21 ZINC000595003626 565441151 /nfs/dbraw/zinc/44/11/51/565441151.db2.gz IXYGGMNBJQWZRE-OAHLLOKOSA-N 1 0 384.261 2.881 20 0 GFADRO COC(=O)c1cc(C[NH2+]CCc2ccc(I)cc2)cn1C ZINC000594995037 565441256 /nfs/dbraw/zinc/44/12/56/565441256.db2.gz NZQXUDYSWOEYGF-UHFFFAOYSA-N 1 0 398.244 2.749 20 0 GFADRO O[C@H](C[NH2+][C@@H]1CCc2ccc(I)cc21)COCC1CC1 ZINC000595017957 565441955 /nfs/dbraw/zinc/44/19/55/565441955.db2.gz YILNVBHEQLCYOI-GDBMZVCRSA-N 1 0 387.261 2.656 20 0 GFADRO C[C@H]1COCCN1CC[NH2+][C@@H]1CCc2ccc(I)cc21 ZINC000595010100 565442565 /nfs/dbraw/zinc/44/25/65/565442565.db2.gz FZGLWQDRRAAFPD-BLLLJJGKSA-N 1 0 386.277 2.589 20 0 GFADRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)NCC(F)(F)c2ccc(Br)cc2)C1 ZINC000621848615 565444842 /nfs/dbraw/zinc/44/48/42/565444842.db2.gz COILVDYSLNSIHB-ZWNOBZJWSA-N 1 0 376.245 2.968 20 0 GFADRO C[NH2+]C[C@H](C)NC(=O)N[C@@H](C)CCc1ccc(I)cc1 ZINC000595263223 565460151 /nfs/dbraw/zinc/46/01/51/565460151.db2.gz QHKNALALWDKVIP-RYUDHWBXSA-N 1 0 389.281 2.519 20 0 GFADRO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)c2cc3c(cc2Br)OCO3)C1 ZINC000621896252 565447440 /nfs/dbraw/zinc/44/74/40/565447440.db2.gz RPSRBCAFPLIMGH-ZDUSSCGKSA-N 1 0 395.297 2.982 20 0 GFADRO C[NH+](C)CCC[C@H]1CN(C(=O)NCc2ccc(Br)cc2)CCO1 ZINC000664025280 565449021 /nfs/dbraw/zinc/44/90/21/565449021.db2.gz SDJNVHWPFSGVHU-INIZCTEOSA-N 1 0 384.318 2.701 20 0 GFADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N2CCC[C@@H](C)[C@H]2CCC[NH3+])c1 ZINC000595117026 565449107 /nfs/dbraw/zinc/44/91/07/565449107.db2.gz CNQVOZPAGGRXIP-MLGOLLRUSA-N 1 0 388.917 2.655 20 0 GFADRO Brc1ccc(-c2noc(-c3cn([C@H]4CCC[NH2+]C4)nn3)n2)cc1 ZINC000643936758 565450831 /nfs/dbraw/zinc/45/08/31/565450831.db2.gz GVVZBTUFYVSLMG-LBPRGKRZSA-N 1 0 375.230 2.682 20 0 GFADRO C[C@H]([NH2+]C[C@H]1CNc2ccnn2C1)c1cc2c(cc1Br)OCCO2 ZINC000595144292 565451051 /nfs/dbraw/zinc/45/10/51/565451051.db2.gz BHORSLPILNSDGV-RYUDHWBXSA-N 1 0 393.285 2.809 20 0 GFADRO C[C@H](NC(=O)c1cc(Br)c[nH]c1=O)[C@H](c1ccccc1)[NH+](C)C ZINC000621957387 565452468 /nfs/dbraw/zinc/45/24/68/565452468.db2.gz SGEDZSWUNVEREU-XHDPSFHLSA-N 1 0 378.270 2.971 20 0 GFADRO Cc1cccc(Br)c1C(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000643983231 565454158 /nfs/dbraw/zinc/45/41/58/565454158.db2.gz FLTNTZMCBHPGJX-MRXNPFEDSA-N 1 0 394.357 2.998 20 0 GFADRO O=C(NC[C@@H]1CCCC[NH2+]1)Nc1ccc(I)cc1F ZINC000595235569 565456715 /nfs/dbraw/zinc/45/67/15/565456715.db2.gz UEMXPQWVFBXTNJ-JTQLQIEISA-N 1 0 377.201 2.694 20 0 GFADRO [NH3+]C1(CNC(=O)Nc2cccc(F)c2I)CCCC1 ZINC000595231523 565457069 /nfs/dbraw/zinc/45/70/69/565457069.db2.gz XZWCQRUNEAUMNF-UHFFFAOYSA-N 1 0 377.201 2.823 20 0 GFADRO FC1(F)C[C@@H]1OCCNc1ncc(Cl)c(NCCO[C@H]2CC2(F)F)n1 ZINC000664309280 565458601 /nfs/dbraw/zinc/45/86/01/565458601.db2.gz HZOTUWUMWOALOZ-UWVGGRQHSA-N 1 0 384.761 2.802 20 0 GFADRO O=C(CCOc1ccc(Cl)cc1Br)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000644143066 565460166 /nfs/dbraw/zinc/46/01/66/565460166.db2.gz YSOHKRBQHHPELZ-QWRGUYRKSA-N 1 0 379.657 2.688 20 0 GFADRO Cc1cc(CNC(=O)NCC[C@@H]([NH3+])C(C)C)ccc1I ZINC000595263649 565460366 /nfs/dbraw/zinc/46/03/66/565460366.db2.gz WJTXJURWQVLBJI-CQSZACIVSA-N 1 0 389.281 2.772 20 0 GFADRO C[NH2+]C[C@@H](C)NC(=O)N1CCC[C@@H]1c1ccccc1I ZINC000595275333 565460373 /nfs/dbraw/zinc/46/03/73/565460373.db2.gz KFADZOPSZGCXKK-BXUZGUMPSA-N 1 0 387.265 2.746 20 0 GFADRO C[C@@H](C(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+])c1c(Cl)cccc1Cl ZINC000644123929 565460556 /nfs/dbraw/zinc/46/05/56/565460556.db2.gz YQPHVAHWIFJQKX-OLZOCXBDSA-N 1 0 386.323 2.943 20 0 GFADRO C[NH2+]C[C@@H](C)NC(=O)N1CCC[C@H]1c1ccccc1I ZINC000595275335 565460598 /nfs/dbraw/zinc/46/05/98/565460598.db2.gz KFADZOPSZGCXKK-RISCZKNCSA-N 1 0 387.265 2.746 20 0 GFADRO C[C@@H](CCNC(=O)NCc1nc(-c2cccc(Br)c2)no1)[NH+](C)C ZINC000664784005 565479150 /nfs/dbraw/zinc/47/91/50/565479150.db2.gz XMGMQSNXRGXMBH-NSHDSACASA-N 1 0 396.289 2.639 20 0 GFADRO O[C@H](C[NH2+]CCN1Cc2ccccc2C1)COc1ccc(Br)cc1 ZINC000644528244 565480881 /nfs/dbraw/zinc/48/08/81/565480881.db2.gz UBCZRGGDPRHJLX-GOSISDBHSA-N 1 0 391.309 2.794 20 0 GFADRO CC1(C)Cc2n[nH]cc2C[N@@H+](C[C@H](O)COc2ccc(Br)cc2)C1 ZINC000664870988 565483213 /nfs/dbraw/zinc/48/32/13/565483213.db2.gz HDWKOYCJCVKOLU-HNNXBMFYSA-N 1 0 394.313 2.996 20 0 GFADRO CO[C@@H](CC[NH2+]C[C@H](O)COc1ccc(Br)cc1)C(F)(F)F ZINC000644630932 565486200 /nfs/dbraw/zinc/48/62/00/565486200.db2.gz JWXCBERLBRMBKM-AAEUAGOBSA-N 1 0 386.208 2.746 20 0 GFADRO C[C@@H](NC(=O)Cc1noc2ccc(Br)cc21)C1CC[NH+](C)CC1 ZINC000644637855 565486804 /nfs/dbraw/zinc/48/68/04/565486804.db2.gz UEGMGPZWWCGDMU-LLVKDONJSA-N 1 0 380.286 2.979 20 0 GFADRO CCC[N@H+](CC)C[C@@H](C)NC(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000644648934 565487534 /nfs/dbraw/zinc/48/75/34/565487534.db2.gz HMCNKRYFGGAVQN-CQSZACIVSA-N 1 0 386.945 2.883 20 0 GFADRO CC(C)(C)n1cc(Br)c(C(=O)N2CCN(c3ccccn3)CC2)n1 ZINC000665154233 565491092 /nfs/dbraw/zinc/49/10/92/565491092.db2.gz LQGXCTXAQWMHRH-UHFFFAOYSA-N 1 0 392.301 2.758 20 0 GFADRO O=C(NC1CCC(N2CC[NH2+]CC2)CC1)c1nc2cc(Cl)ccc2s1 ZINC000623069138 565492569 /nfs/dbraw/zinc/49/25/69/565492569.db2.gz WKEXOKQXWOHXIJ-UHFFFAOYSA-N 1 0 378.929 2.896 20 0 GFADRO O=C(c1nc(C2CC2)ncc1Br)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000623053680 565492889 /nfs/dbraw/zinc/49/28/89/565492889.db2.gz MSCZOPUIVODQDC-OCCSQVGLSA-N 1 0 379.302 2.721 20 0 GFADRO COC(=O)c1ccc(C[N@@H+]2CCC[C@@H](C(=O)NC(C)C)C2)c(Br)c1 ZINC000595849394 565493790 /nfs/dbraw/zinc/49/37/90/565493790.db2.gz HFXDNCYWAIHXCZ-OAHLLOKOSA-N 1 0 397.313 2.972 20 0 GFADRO C[N@@H+]1C[C@H]2CCN(C(=O)c3cc(-c4ccc(Br)cc4)n[nH]3)[C@@H]2C1 ZINC000644811591 565496591 /nfs/dbraw/zinc/49/65/91/565496591.db2.gz AWIOOTGIPRCVKA-MLGOLLRUSA-N 1 0 375.270 2.615 20 0 GFADRO C[N@@H+]1C[C@@H]2CCN(Cc3cc(Br)cc(Br)c3N)[C@@H]2C1 ZINC000644842353 565496711 /nfs/dbraw/zinc/49/67/11/565496711.db2.gz XQGORAKDVXOWIX-TVQRCGJNSA-N 1 0 389.135 2.930 20 0 GFADRO Cc1nc(NC(=O)c2cc3c(s2)CC[NH2+]C3)ccc1I ZINC000595931672 565500119 /nfs/dbraw/zinc/50/01/19/565500119.db2.gz JODIHOMWQHOOAU-UHFFFAOYSA-N 1 0 399.257 2.954 20 0 GFADRO O=C(CCC1CC[NH2+]CC1)NCCc1ccc(I)cc1 ZINC000595949283 565501275 /nfs/dbraw/zinc/50/12/75/565501275.db2.gz WPLVTKPSZOUQEY-UHFFFAOYSA-N 1 0 386.277 2.730 20 0 GFADRO [NH3+]C1(CNC(=O)c2ccc(Cl)c(I)c2)CCCC1 ZINC000595941020 565501369 /nfs/dbraw/zinc/50/13/69/565501369.db2.gz KEEZBGRMQIARRV-UHFFFAOYSA-N 1 0 378.641 2.946 20 0 GFADRO O=C(NC[C@H](CO)c1ccc(Cl)cc1)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000665514394 565502810 /nfs/dbraw/zinc/50/28/10/565502810.db2.gz ARIIOEZXAIADHK-SJLPKXTDSA-N 1 0 382.957 2.750 20 0 GFADRO Cc1nc(NC(=O)c2cccc3c2CC[NH2+]C3)ccc1I ZINC000595952095 565502835 /nfs/dbraw/zinc/50/28/35/565502835.db2.gz WTRBURLPGYICRT-UHFFFAOYSA-N 1 0 393.228 2.893 20 0 GFADRO COC(=O)c1sc2c(c1Br)CN(C(=O)[C@@H]1CCC[NH2+]CC1)C2 ZINC000595985727 565503517 /nfs/dbraw/zinc/50/35/17/565503517.db2.gz AQKFCMGHABHCKV-SECBINFHSA-N 1 0 387.299 2.529 20 0 GFADRO C[C@]1(NC(=O)Nc2cc(I)ccc2Cl)CC[NH2+]C1 ZINC000596118602 565514118 /nfs/dbraw/zinc/51/41/18/565514118.db2.gz BXQKBEPMXJCJIP-LBPRGKRZSA-N 1 0 379.629 2.818 20 0 GFADRO C[C@@]([NH3+])(C(=O)NCCCN1CCCCCC1=O)c1ccc(Br)cc1 ZINC000645158746 565514165 /nfs/dbraw/zinc/51/41/65/565514165.db2.gz GGYYUOLMDBTLHO-SFHVURJKSA-N 1 0 396.329 2.532 20 0 GFADRO CCC(=O)N[C@@H]1CCC[N@H+](C[C@@H](O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000623511113 565515827 /nfs/dbraw/zinc/51/58/27/565515827.db2.gz CXCRNGAUMSOZMV-CHWSQXEVSA-N 1 0 375.296 2.724 20 0 GFADRO C[C@@H]1[C@H]([NH+](C)C)CCN1c1ncnc2cc(I)sc21 ZINC000596243143 565516289 /nfs/dbraw/zinc/51/62/89/565516289.db2.gz AZBAFRZOBXCVBF-PSASIEDQSA-N 1 0 388.278 2.825 20 0 GFADRO COc1cc(C(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)ccc1Br ZINC000623551299 565517543 /nfs/dbraw/zinc/51/75/43/565517543.db2.gz SMNFPTSNRNDHPD-AWEZNQCLSA-N 1 0 385.302 2.544 20 0 GFADRO COc1ccc([C@@H](C)NC(=O)COC2CCC([NH3+])CC2)cc1Br ZINC000645225878 565517847 /nfs/dbraw/zinc/51/78/47/565517847.db2.gz RKIKAUICGKSRAK-LMWSTFAQSA-N 1 0 385.302 2.921 20 0 GFADRO NC(=O)c1csc(C[NH2+][C@]2(CO)CCc3cc(Br)ccc3C2)c1 ZINC000623645122 565522797 /nfs/dbraw/zinc/52/27/97/565522797.db2.gz OUJHMDNNQRHKOH-QGZVFWFLSA-N 1 0 395.322 2.619 20 0 GFADRO C/C=C/C[NH2+]Cc1cc(Br)c(OCC(=O)N(C)C)c(OCC)c1 ZINC000623739422 565527892 /nfs/dbraw/zinc/52/78/92/565527892.db2.gz WREVRTRLEABFJX-FNORWQNLSA-N 1 0 385.302 2.981 20 0 GFADRO C[N@H+](CCNS(=O)(=O)Cc1ccc(Br)cc1Cl)C1CC1 ZINC000645489757 565530149 /nfs/dbraw/zinc/53/01/49/565530149.db2.gz LBRYXQLKHVRWAN-UHFFFAOYSA-N 1 0 381.723 2.616 20 0 GFADRO Brc1ccc(C[NH2+]C[C@H]2CN(Cc3ccncc3)CCO2)s1 ZINC000623780683 565530236 /nfs/dbraw/zinc/53/02/36/565530236.db2.gz UEFGQALWRGRFQL-AWEZNQCLSA-N 1 0 382.327 2.896 20 0 GFADRO Brc1ccsc1C[NH2+]C[C@H]1CN(Cc2ccncc2)CCO1 ZINC000623782419 565530257 /nfs/dbraw/zinc/53/02/57/565530257.db2.gz SIVBBOPECODKRD-AWEZNQCLSA-N 1 0 382.327 2.896 20 0 GFADRO COC(=O)c1cc(NC(=O)NCC[C@H](C)[NH+](C)C)c(Br)cc1F ZINC000596765343 565534522 /nfs/dbraw/zinc/53/45/22/565534522.db2.gz IMAGLARBSGKTNB-VIFPVBQESA-N 1 0 390.253 2.837 20 0 GFADRO Cc1ccc(Br)cc1[C@@H](C)[NH2+][C@@H]1CCN(c2cnn(C)c2)C1=O ZINC000623915844 565535311 /nfs/dbraw/zinc/53/53/11/565535311.db2.gz UUTARFMWCZENLW-MLGOLLRUSA-N 1 0 377.286 2.947 20 0 GFADRO Cc1cc(C)c(NC(=O)N(CC[NH+](C)C)CC(=O)N(C)C)c(Br)c1 ZINC000666397162 565536146 /nfs/dbraw/zinc/53/61/46/565536146.db2.gz RDTXRRXYFUCLFC-UHFFFAOYSA-N 1 0 399.333 2.550 20 0 GFADRO CCN(C(=O)Nc1cccc(F)c1I)[C@@H]1CC[N@H+](C)C1 ZINC000596810080 565536786 /nfs/dbraw/zinc/53/67/86/565536786.db2.gz NJWGSHMZCBQCOP-SNVBAGLBSA-N 1 0 391.228 2.988 20 0 GFADRO CC1CC[NH+](CCNC(=O)c2cc(Br)cc3c2OCCO3)CC1 ZINC000666412854 565537180 /nfs/dbraw/zinc/53/71/80/565537180.db2.gz RNPHRLKMBNOHEN-UHFFFAOYSA-N 1 0 383.286 2.682 20 0 GFADRO CC(C)c1cc(Br)ccc1NC(=O)C(=O)N1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC000645620999 565544786 /nfs/dbraw/zinc/54/47/86/565544786.db2.gz IYZRYSWHKVJABG-BLLLJJGKSA-N 1 0 394.313 2.674 20 0 GFADRO COCCN(CC[NH+](C)C)C(=O)NCc1sc(C)cc1Br ZINC000666642302 565546729 /nfs/dbraw/zinc/54/67/29/565546729.db2.gz LTLXHNDDDUWSIM-UHFFFAOYSA-N 1 0 378.336 2.539 20 0 GFADRO C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)Nc1ccc(I)cc1F ZINC000597024340 565548245 /nfs/dbraw/zinc/54/82/45/565548245.db2.gz HJOYDUVRUVNFIT-VHSXEESVSA-N 1 0 391.228 2.987 20 0 GFADRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)Nc1cn(C)cc(Br)c1=O ZINC000666690905 565548807 /nfs/dbraw/zinc/54/88/07/565548807.db2.gz PQBJZIRSUBLQAH-TXEJJXNPSA-N 1 0 385.306 2.532 20 0 GFADRO C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@@H]1CCN(C2CCC2)C1=O ZINC000624340478 565552347 /nfs/dbraw/zinc/55/23/47/565552347.db2.gz CQVNUYKANSYQIY-BLLLJJGKSA-N 1 0 394.313 2.909 20 0 GFADRO Cc1cc(Br)c(F)cc1S(=O)(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000624353017 565552490 /nfs/dbraw/zinc/55/24/90/565552490.db2.gz BTHVMXWVFTZVQC-GHMZBOCLSA-N 1 0 379.295 2.563 20 0 GFADRO Cc1cc(Br)c(F)cc1S(=O)(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000624364563 565553830 /nfs/dbraw/zinc/55/38/30/565553830.db2.gz SVVQBRGATKZHOT-UHFFFAOYSA-N 1 0 399.285 2.978 20 0 GFADRO [NH3+]C[C@H]1CN(S(=O)(=O)CCc2ccccc2Cl)CC[C@@H]1C(F)(F)F ZINC000624392466 565555679 /nfs/dbraw/zinc/55/56/79/565555679.db2.gz RTSRZECXNVSCCK-STQMWFEESA-N 1 0 384.851 2.671 20 0 GFADRO C[NH+](C)CCC[C@@H]1CN(Cc2cccc(I)c2)CCO1 ZINC000597248086 565558058 /nfs/dbraw/zinc/55/80/58/565558058.db2.gz MADBTJKNYCTELW-MRXNPFEDSA-N 1 0 388.293 2.834 20 0 GFADRO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)[C@@H]1CCO[C@H]1c1cncc(Br)c1 ZINC000666915417 565562100 /nfs/dbraw/zinc/56/21/00/565562100.db2.gz ZMVUQVIKJKGDAI-JLZZUVOBSA-N 1 0 394.313 2.522 20 0 GFADRO CS(=O)(=O)N[C@@H]1CCCN(Cc2cc(Br)cc3cccnc32)C1 ZINC000624556213 565563980 /nfs/dbraw/zinc/56/39/80/565563980.db2.gz KFQRCXKKULWAGW-OAHLLOKOSA-N 1 0 398.326 2.511 20 0 GFADRO COc1ncc(Br)cc1CNC(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000624631245 565566804 /nfs/dbraw/zinc/56/68/04/565566804.db2.gz WXBMQACNRKSQFD-HNNXBMFYSA-N 1 0 397.317 2.669 20 0 GFADRO COc1c(Br)cc(Cl)cc1NC(=O)N1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000667076557 565568400 /nfs/dbraw/zinc/56/84/00/565568400.db2.gz DJSJJNFFORWYRP-PRHODGIISA-N 1 0 392.681 2.691 20 0 GFADRO C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)Cc1ccccc1I)C2 ZINC000597715551 565572069 /nfs/dbraw/zinc/57/20/69/565572069.db2.gz MFZJQTHNKWREKG-QGZVFWFLSA-N 1 0 398.288 2.778 20 0 GFADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)c1cn(C2CC2)nn1 ZINC000624762479 565574741 /nfs/dbraw/zinc/57/47/41/565574741.db2.gz IDFIGVLXIUEIQE-UHFFFAOYSA-N 1 0 392.301 2.580 20 0 GFADRO C[NH+](C)C1(C(=O)NCc2cc(Cl)cc(I)c2)CC1 ZINC000597793702 565576579 /nfs/dbraw/zinc/57/65/79/565576579.db2.gz HQMJMKULMOHIRF-UHFFFAOYSA-N 1 0 378.641 2.655 20 0 GFADRO COCC[NH+]1CCC(NC(=O)CCc2ccc(OC)cc2Br)CC1 ZINC000667226589 565577704 /nfs/dbraw/zinc/57/77/04/565577704.db2.gz LTYQNZFGWPLCEE-UHFFFAOYSA-N 1 0 399.329 2.617 20 0 GFADRO O=C(NCC1CC[NH2+]CC1)C(=O)Nc1cccc(Cl)c1SCC(F)F ZINC000667243706 565578972 /nfs/dbraw/zinc/57/89/72/565578972.db2.gz PPCHZPBERGCDLF-UHFFFAOYSA-N 1 0 391.871 2.752 20 0 GFADRO CCN(C(=O)c1cc(F)c(F)cc1I)[C@H]1CC[N@H+](C)C1 ZINC000597944083 565583905 /nfs/dbraw/zinc/58/39/05/565583905.db2.gz CCGYFEFIMXSTRL-VIFPVBQESA-N 1 0 394.203 2.736 20 0 GFADRO C[NH+]1CCC2(CC1)CN(CCOc1cc(F)cc(Br)c1)CCO2 ZINC000646105944 565586943 /nfs/dbraw/zinc/58/69/43/565586943.db2.gz NCYIERTXYODHNK-UHFFFAOYSA-N 1 0 387.293 2.764 20 0 GFADRO Cc1nc(-c2ccc(Cl)s2)sc1C(=O)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000646119377 565588346 /nfs/dbraw/zinc/58/83/46/565588346.db2.gz PBFYIVBGUIREDY-LBPRGKRZSA-N 1 0 396.969 2.953 20 0 GFADRO CCN(C(=O)Cc1ccccc1I)[C@@H]1CC[N@H+](CC)C1 ZINC000598040287 565589394 /nfs/dbraw/zinc/58/93/94/565589394.db2.gz OISCOEXKYQGDQW-CQSZACIVSA-N 1 0 386.277 2.776 20 0 GFADRO Cc1c(F)c(Br)ccc1NC(=O)N1C[C@@H](C)[N@@H+](CCO)C[C@@H]1C ZINC000667505706 565591371 /nfs/dbraw/zinc/59/13/71/565591371.db2.gz YBXXQPMEFDHIII-MNOVXSKESA-N 1 0 388.281 2.815 20 0 GFADRO O=C(CCCOc1ccc(Cl)cc1Cl)N[C@H](CO)C[NH+]1CCCC1 ZINC000646222772 565591369 /nfs/dbraw/zinc/59/13/69/565591369.db2.gz WIJBZZKDJCKRCD-AWEZNQCLSA-N 1 0 375.296 2.725 20 0 GFADRO Cc1c(F)c(Br)ccc1NC(=O)N1CC[N@@H+](C[C@@H](C)O)C[C@@H]1C ZINC000667503660 565591447 /nfs/dbraw/zinc/59/14/47/565591447.db2.gz SOSBWGXUVGKWRL-WDEREUQCSA-N 1 0 388.281 2.815 20 0 GFADRO [NH3+][C@H]1CCC[C@@H](NC(=O)C(=O)Nc2cc(Br)c(F)cc2Cl)C1 ZINC000667525203 565592086 /nfs/dbraw/zinc/59/20/86/565592086.db2.gz BZTDTFLVRGHMCF-JGVFFNPUSA-N 1 0 392.656 2.566 20 0 GFADRO CC[C@@H]1CN(C(=O)Nc2ccnn2-c2ccc(Br)cn2)CC[C@@H]1[NH3+] ZINC000667517602 565592602 /nfs/dbraw/zinc/59/26/02/565592602.db2.gz WNXQUYSWTSNJJN-YPMHNXCESA-N 1 0 393.289 2.621 20 0 GFADRO COc1cc(NC(=O)c2cccn2C2CC[NH2+]CC2)ncc1Br ZINC000646277695 565593299 /nfs/dbraw/zinc/59/32/99/565593299.db2.gz CKFNSBOUCVTVNT-UHFFFAOYSA-N 1 0 379.258 2.831 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CN(C(=O)Nc2cc(F)c(Br)c(Cl)c2)CCO1 ZINC000667594234 565595189 /nfs/dbraw/zinc/59/51/89/565595189.db2.gz SRYVANHHXKQRHX-CPCISQLKSA-N 1 0 380.645 2.822 20 0 GFADRO C[C@H]1COCC[N@@H+]1C1CCN(C(=O)c2cc(F)ccc2Br)CC1 ZINC000646316396 565596292 /nfs/dbraw/zinc/59/62/92/565596292.db2.gz VTCQQHGEUACYOW-LBPRGKRZSA-N 1 0 385.277 2.914 20 0 GFADRO CC(C)c1n[nH]c(C(=O)N2CCC([N@@H+]3CCOC[C@@H]3C)CC2)c1Br ZINC000646314729 565596565 /nfs/dbraw/zinc/59/65/65/565596565.db2.gz NFBHSEQFKYXQFF-LBPRGKRZSA-N 1 0 399.333 2.621 20 0 GFADRO Cc1cc(Br)c(F)cc1S(=O)(=O)N1CCC(C[NH+](C)C)CC1 ZINC000625099884 565597589 /nfs/dbraw/zinc/59/75/89/565597589.db2.gz NIPAFVAJUPSEPG-UHFFFAOYSA-N 1 0 393.322 2.859 20 0 GFADRO O=C([C@@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000646337577 565597795 /nfs/dbraw/zinc/59/77/95/565597795.db2.gz HGOVRQGJXXIACP-OZVIIMIRSA-N 1 0 382.291 2.557 20 0 GFADRO C[C@@H](CCCC[NH3+])NC(=O)C(=O)Nc1cc(Br)c(F)cc1Cl ZINC000667624499 565598560 /nfs/dbraw/zinc/59/85/60/565598560.db2.gz AIRIRLMORYSIKX-QMMMGPOBSA-N 1 0 394.672 2.814 20 0 GFADRO CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@H](C(=O)OC)c1ccccc1Br ZINC000598187836 565599992 /nfs/dbraw/zinc/59/99/92/565599992.db2.gz WPTLPSODXSXTJR-RISCZKNCSA-N 1 0 385.302 2.946 20 0 GFADRO COc1ncc(C(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cc1Br ZINC000646385080 565600946 /nfs/dbraw/zinc/60/09/46/565600946.db2.gz WCCBINOJYZKKBC-OLZOCXBDSA-N 1 0 382.302 2.705 20 0 GFADRO O=C(Nc1ccccc1SCC(F)(F)F)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000667711236 565602696 /nfs/dbraw/zinc/60/26/96/565602696.db2.gz GLBXWCYGVJWQAM-LLVKDONJSA-N 1 0 375.416 2.538 20 0 GFADRO C[NH+](C)C1CCN(CCNC(=O)Nc2cccc(Br)c2F)CC1 ZINC000667923591 565614093 /nfs/dbraw/zinc/61/40/93/565614093.db2.gz QNKQSWRBGGJXKU-UHFFFAOYSA-N 1 0 387.297 2.736 20 0 GFADRO CN1CC[NH+](CC2(C)CCN(Cc3c(F)cncc3Br)CC2)CC1 ZINC000667983233 565617335 /nfs/dbraw/zinc/61/73/35/565617335.db2.gz FKNVTKWJEPUPMJ-UHFFFAOYSA-N 1 0 399.352 2.833 20 0 GFADRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)c2cc(Br)cc3[nH]c(=O)[nH]c32)C1 ZINC000646781060 565619461 /nfs/dbraw/zinc/61/94/61/565619461.db2.gz WNNOLNXDYDBHCQ-LLVKDONJSA-N 1 0 395.301 2.881 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CN(C(=O)COc2ccc3cc(Br)ccc3c2)CCO1 ZINC000646848288 565622948 /nfs/dbraw/zinc/62/29/48/565622948.db2.gz NWXNYBQBVHSEPI-SJCJKPOMSA-N 1 0 393.281 2.556 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CN(C(=O)c2ccc(Br)c(OC(F)(F)F)c2)CCO1 ZINC000646855076 565623032 /nfs/dbraw/zinc/62/30/32/565623032.db2.gz ZMXIRVHEMRIDAR-UFBFGSQYSA-N 1 0 397.191 2.536 20 0 GFADRO Cc1nc(CSc2ccc(C(=O)N3CCO[C@H]([C@H](C)[NH3+])C3)cc2)cs1 ZINC000646859450 565623212 /nfs/dbraw/zinc/62/32/12/565623212.db2.gz NYFHCMPGADNEPK-SJCJKPOMSA-N 1 0 377.535 2.932 20 0 GFADRO O=C(c1cc(Br)cc2[nH]c(=O)[nH]c21)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000646847176 565623314 /nfs/dbraw/zinc/62/33/14/565623314.db2.gz SURIGFGBVXQQRI-LLVKDONJSA-N 1 0 393.285 2.589 20 0 GFADRO CN(Cc1ccc(Cl)s1)C(=O)C(=O)NC[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000625367077 565623540 /nfs/dbraw/zinc/62/35/40/565623540.db2.gz SAIZJZSAHADEBI-AWEZNQCLSA-N 1 0 383.945 2.883 20 0 GFADRO O=C(c1cc2cc(Br)sc2[nH]1)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000646870541 565624275 /nfs/dbraw/zinc/62/42/75/565624275.db2.gz YKRTUGLHJWMIRN-NSHDSACASA-N 1 0 398.326 2.786 20 0 GFADRO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)CCNc2ncc(C(F)(F)F)cc2Cl)C1 ZINC000646933302 565626503 /nfs/dbraw/zinc/62/65/03/565626503.db2.gz ADZYDETVFXOMMN-GWCFXTLKSA-N 1 0 376.810 2.718 20 0 GFADRO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)c2cc(Br)ccc2Br)C1 ZINC000646940847 565627765 /nfs/dbraw/zinc/62/77/65/565627765.db2.gz OHDKXKPDTMXIOV-ZANVPECISA-N 1 0 388.103 2.988 20 0 GFADRO CN(Cc1c(F)cncc1Br)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000668161770 565629402 /nfs/dbraw/zinc/62/94/02/565629402.db2.gz DHVKKSAXLPLKQX-CQSZACIVSA-N 1 0 385.325 2.584 20 0 GFADRO CCCN(C(=O)C(=O)N[C@H](C)c1ccc(Br)cc1)[C@H]1CC[N@H+](C)C1 ZINC000646972588 565630129 /nfs/dbraw/zinc/63/01/29/565630129.db2.gz IQNSWFSWTQGROR-CJNGLKHVSA-N 1 0 396.329 2.569 20 0 GFADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)c1cc2cc(Br)ccc2s1 ZINC000625476832 565632144 /nfs/dbraw/zinc/63/21/44/565632144.db2.gz PLDNPLHOLUCVLA-ZDUSSCGKSA-N 1 0 382.327 2.639 20 0 GFADRO C[NH+](C)C[C@H]1CCCCN1C(=O)c1cc(Br)cc2[nH]c(=O)[nH]c21 ZINC000668212514 565634095 /nfs/dbraw/zinc/63/40/95/565634095.db2.gz FTOAKHLNBVXTBS-LLVKDONJSA-N 1 0 381.274 2.587 20 0 GFADRO O=C1C[C@@H](c2nc([C@H]3CCC[NH2+]3)no2)CN1c1ccccc1Br ZINC000647152320 565642164 /nfs/dbraw/zinc/64/21/64/565642164.db2.gz AQOAKHROPGADJZ-ZYHUDNBSSA-N 1 0 377.242 2.777 20 0 GFADRO COc1ccccc1[C@@H]([NH3+])CNS(=O)(=O)Cc1ccc(Br)cc1 ZINC000647187886 565644838 /nfs/dbraw/zinc/64/48/38/565644838.db2.gz ZOUNKQMAPKZLGV-HNNXBMFYSA-N 1 0 399.310 2.577 20 0 GFADRO O=S1(=O)CC(CC[NH2+]Cc2cc(OC(F)F)ccc2Br)C1 ZINC000647205222 565646199 /nfs/dbraw/zinc/64/61/99/565646199.db2.gz MCEVKKDVOMISRI-UHFFFAOYSA-N 1 0 384.242 2.575 20 0 GFADRO CCOc1cc(C[NH2+][C@@H]2COC[C@H]2OC)cc(Br)c1OC(F)F ZINC000647242658 565648217 /nfs/dbraw/zinc/64/82/17/565648217.db2.gz KYWVBMRJICZTCL-DGCLKSJQSA-N 1 0 396.228 2.953 20 0 GFADRO CC(C)[C@H]1CN(S(=O)(=O)c2cccc(Cl)c2Br)CC[NH2+]1 ZINC000647255675 565649130 /nfs/dbraw/zinc/64/91/30/565649130.db2.gz KSJAOHHBUIEWNF-LLVKDONJSA-N 1 0 381.723 2.721 20 0 GFADRO CC(C)[C@H]1CN(S(=O)(=O)c2cc(Br)sc2Cl)CC[NH2+]1 ZINC000647255498 565649271 /nfs/dbraw/zinc/64/92/71/565649271.db2.gz BGQJRWPHVJYVCP-MRVPVSSYSA-N 1 0 387.752 2.783 20 0 GFADRO C[C@@H]1C[NH+](CCOc2ccc(S(=O)(=O)N(C)C)cc2)C[C@@H](C)C1(F)F ZINC000625645987 565649492 /nfs/dbraw/zinc/64/94/92/565649492.db2.gz PHXPWUAPONFBJT-ZIAGYGMSSA-N 1 0 376.469 2.539 20 0 GFADRO CC[C@H](CCc1ccc(Br)cc1)[NH2+][C@H]1CS(=O)(=O)C[C@H]1OC ZINC000668506044 565651367 /nfs/dbraw/zinc/65/13/67/565651367.db2.gz FWTWWGWHMIRZJN-OWCLPIDISA-N 1 0 390.343 2.562 20 0 GFADRO CC[C@@H]1CN(S(=O)(=O)c2cnn(-c3ccc(Cl)cc3)c2C)CC[C@H]1[NH3+] ZINC000647269484 565651480 /nfs/dbraw/zinc/65/14/80/565651480.db2.gz UDOUHSZPDPOWRJ-CZUORRHYSA-N 1 0 382.917 2.582 20 0 GFADRO CC[C@H]1CN(S(=O)(=O)c2cc(Cl)ccc2Br)CC[C@H]1[NH3+] ZINC000647269444 565651938 /nfs/dbraw/zinc/65/19/38/565651938.db2.gz SMTKROZMWAWGNQ-JOYOIKCWSA-N 1 0 381.723 2.850 20 0 GFADRO C[C@@H]1C[C@@H](NS(=O)(=O)Cc2ccc(Br)cc2Cl)CC[NH2+]1 ZINC000647276780 565652645 /nfs/dbraw/zinc/65/26/45/565652645.db2.gz HTSNJSHCQYBPFI-SKDRFNHKSA-N 1 0 381.723 2.662 20 0 GFADRO COC(=O)c1cc(C[NH2+][C@@]2(CO)CCc3cc(Br)ccc3C2)c[nH]1 ZINC000598993815 565652634 /nfs/dbraw/zinc/65/26/34/565652634.db2.gz PWRRNTBADDXOLA-SFHVURJKSA-N 1 0 393.281 2.573 20 0 GFADRO O=C1CC[C@@H]2C[N@H+](CC3=Cc4cc(Br)ccc4OC3)CC[C@@H]2N1 ZINC000668540826 565653384 /nfs/dbraw/zinc/65/33/84/565653384.db2.gz HGLVBXOYMYVRGU-CJNGLKHVSA-N 1 0 377.282 2.825 20 0 GFADRO COC(=O)CCNC(=O)CC[NH2+][C@@H]1CCCCc2ccc(Br)cc21 ZINC000599083303 565654854 /nfs/dbraw/zinc/65/48/54/565654854.db2.gz XQKAXKYKINFEKJ-MRXNPFEDSA-N 1 0 397.313 2.876 20 0 GFADRO O=S(=O)(NC[C@@H]1C[C@H](F)C[NH2+]1)c1ccc2ccccc2c1Br ZINC000647305070 565655130 /nfs/dbraw/zinc/65/51/30/565655130.db2.gz NYZDCSOBVGHHFW-RYUDHWBXSA-N 1 0 387.274 2.581 20 0 GFADRO O=S(=O)(N[C@H]1CC12CC[NH2+]CC2)c1cccc(Br)c1Cl ZINC000647303423 565655325 /nfs/dbraw/zinc/65/53/25/565655325.db2.gz YOOYXSXDTOJDDA-NSHDSACASA-N 1 0 379.707 2.523 20 0 GFADRO C[C@@H](C[NH2+]CC1(S(C)(=O)=O)CCCCC1)c1ccc(S(C)(=O)=O)cc1 ZINC000668580599 565655631 /nfs/dbraw/zinc/65/56/31/565655631.db2.gz PFDXBVZXBWPNNH-HNNXBMFYSA-N 1 0 387.567 2.531 20 0 GFADRO [NH3+]C[C@H]1CC[C@H](CNS(=O)(=O)c2ccc(Br)cc2F)CC1 ZINC000647298938 565655647 /nfs/dbraw/zinc/65/56/47/565655647.db2.gz CTQKFVYRMBICQQ-XYPYZODXSA-N 1 0 379.295 2.632 20 0 GFADRO O=S(=O)(c1cccc(Br)c1)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647306816 565655759 /nfs/dbraw/zinc/65/57/59/565655759.db2.gz JYJCOCHIFVGIRN-KGLIPLIRSA-N 1 0 387.343 2.849 20 0 GFADRO C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+][C@@H]1CC[C@H](C)S(=O)(=O)C1 ZINC000668561514 565655884 /nfs/dbraw/zinc/65/58/84/565655884.db2.gz PCTKXTWBTGIIGQ-IJEWVQPXSA-N 1 0 386.945 2.632 20 0 GFADRO C[C@@H]([NH2+]CC[C@@H]1CSc2ccccc2O1)c1cccc(S(N)(=O)=O)c1 ZINC000647320747 565656557 /nfs/dbraw/zinc/65/65/57/565656557.db2.gz AWCGOFMDNSVHAX-UKRRQHHQSA-N 1 0 378.519 2.928 20 0 GFADRO O=C(C[N@@H+]1CC[C@H]2CC[C@@H](C1)S2)Nc1cc(Cl)ccc1-n1cncn1 ZINC000625774031 565657599 /nfs/dbraw/zinc/65/75/99/565657599.db2.gz GOONFXGXUNLHTE-KGLIPLIRSA-N 1 0 377.901 2.829 20 0 GFADRO COc1cc(CN2CCC(=O)N(C)CC2)cc(Br)c1OC(F)F ZINC000668621107 565658258 /nfs/dbraw/zinc/65/82/58/565658258.db2.gz CDERIFYUWDCBEC-UHFFFAOYSA-N 1 0 393.228 2.723 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCS[C@H]1C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000647360112 565659357 /nfs/dbraw/zinc/65/93/57/565659357.db2.gz QGONLWJUMOEAIZ-HOTUBEGUSA-N 1 0 379.345 2.641 20 0 GFADRO CCCNC(=O)CCC[NH2+][C@]1(CO)CCc2cc(Br)ccc2C1 ZINC000625796976 565660438 /nfs/dbraw/zinc/66/04/38/565660438.db2.gz PEYGALLKZJWLNH-GOSISDBHSA-N 1 0 383.330 2.565 20 0 GFADRO OCc1ccc(C[NH2+][C@@]2(CO)CCc3cc(Br)ccc3C2)cc1 ZINC000625796082 565660920 /nfs/dbraw/zinc/66/09/20/565660920.db2.gz FBQZTWZOCURGGP-IBGZPJMESA-N 1 0 376.294 2.951 20 0 GFADRO C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)Nc1ccc(Br)c2ccccc12 ZINC000647494612 565661362 /nfs/dbraw/zinc/66/13/62/565661362.db2.gz FHXDJLLIICVXNJ-MNOVXSKESA-N 1 0 378.270 2.783 20 0 GFADRO Brc1ccc(C[N@@H+]2CC[C@H]3COC[C@@H]3C2)c(N2CCOCC2)c1 ZINC000668705088 565661714 /nfs/dbraw/zinc/66/17/14/565661714.db2.gz GEMIUBXPAMTIAW-HOTGVXAUSA-N 1 0 381.314 2.754 20 0 GFADRO CC[C@@H](O)CCC[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000647528883 565662926 /nfs/dbraw/zinc/66/29/26/565662926.db2.gz NESWRKHVVDUKDJ-CHWSQXEVSA-N 1 0 380.710 2.983 20 0 GFADRO OCc1ccc(CC[NH2+]C[C@@H](O)COc2cc(F)cc(Br)c2)cc1 ZINC000647524504 565662994 /nfs/dbraw/zinc/66/29/94/565662994.db2.gz PQNUNKHIISHZKC-QGZVFWFLSA-N 1 0 398.272 2.653 20 0 GFADRO C[NH2+]CCOCCN(C)C(=O)Nc1cc(Br)c(F)cc1Cl ZINC000625866597 565663334 /nfs/dbraw/zinc/66/33/34/565663334.db2.gz CCAROPPRQVUTRU-UHFFFAOYSA-N 1 0 382.661 2.941 20 0 GFADRO C[C@@H]1CC[C@H](NC(=O)Nc2cc(Br)ccc2-n2cccn2)C[NH2+]1 ZINC000625860205 565663741 /nfs/dbraw/zinc/66/37/41/565663741.db2.gz SBBILCPMBXCFAN-YPMHNXCESA-N 1 0 378.274 2.897 20 0 GFADRO Cc1nccc(NC(=O)N2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1Br ZINC000625881195 565664773 /nfs/dbraw/zinc/66/47/73/565664773.db2.gz HYWPAMSVULXQBT-UWVGGRQHSA-N 1 0 395.223 2.565 20 0 GFADRO C[C@@H]1C[N@@H+](C[C@H](O)Cn2cc(-c3ccc(Br)cc3)cn2)C[C@H](C)O1 ZINC000647611213 565666585 /nfs/dbraw/zinc/66/65/85/565666585.db2.gz YTRJGFAYHGOXML-IYOUNJFTSA-N 1 0 394.313 2.783 20 0 GFADRO O=C1Nc2ccc(Br)cc2CC[C@@H]1[N@@H+]1C[C@@H]2CCC[C@]2(CO)C1 ZINC000626015856 565671158 /nfs/dbraw/zinc/67/11/58/565671158.db2.gz QKBHPXHMOXOQGE-QANKJYHBSA-N 1 0 379.298 2.797 20 0 GFADRO C[C@H](Sc1ccc(Br)cc1)C(=O)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000647707188 565671533 /nfs/dbraw/zinc/67/15/33/565671533.db2.gz XXZMOXAHNFIFKZ-QEJZJMRPSA-N 1 0 399.354 2.597 20 0 GFADRO C[C@H]1C[C@H](c2ccc(Br)cc2)C[N@@H+]1CCN1C(=O)NC(C)(C)C1=O ZINC000626040075 565672598 /nfs/dbraw/zinc/67/25/98/565672598.db2.gz WMSNRVDGFKJRAN-JSGCOSHPSA-N 1 0 394.313 2.957 20 0 GFADRO OCC[C@H]([NH2+]C[C@@H](O)COC[C@@H]1CCCO1)c1cc(Cl)cc(Cl)c1 ZINC000626100555 565675219 /nfs/dbraw/zinc/67/52/19/565675219.db2.gz QTHZCYXUNXHTSZ-IKGGRYGDSA-N 1 0 378.296 2.563 20 0 GFADRO Cc1cccc(CC(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)c1Br ZINC000626105464 565675241 /nfs/dbraw/zinc/67/52/41/565675241.db2.gz GYGHJBDCKYGERQ-MRXNPFEDSA-N 1 0 381.314 2.670 20 0 GFADRO C[C@@H]1C[C@@H](N(C)C(=O)c2cc(Br)cc3c2OCCO3)CC[N@@H+]1C ZINC000669125235 565678837 /nfs/dbraw/zinc/67/88/37/565678837.db2.gz CZNAKQGYYRMLEB-YPMHNXCESA-N 1 0 383.286 2.775 20 0 GFADRO C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1cc(=O)[nH]c2c(Br)cccc12 ZINC000647832079 565679763 /nfs/dbraw/zinc/67/97/63/565679763.db2.gz UNFFBYMZSFACSF-HZMBPMFUSA-N 1 0 378.270 2.868 20 0 GFADRO COC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCc2cc(Br)ccc2NC1=O ZINC000599431359 565679804 /nfs/dbraw/zinc/67/98/04/565679804.db2.gz GHYDBRNNSFCCNI-SNPRPXQTSA-N 1 0 381.270 2.634 20 0 GFADRO CCCN(CC(=O)Nc1ccc(Cl)cc1Cl)C(=O)COC1(C)C[NH2+]C1 ZINC000647906257 565683062 /nfs/dbraw/zinc/68/30/62/565683062.db2.gz WYVVLGNRQPUGOB-UHFFFAOYSA-N 1 0 388.295 2.549 20 0 GFADRO NC(=O)[C@H](c1cccc(Br)c1)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647978392 565685924 /nfs/dbraw/zinc/68/59/24/565685924.db2.gz RIMHFUHOHXYGBZ-INMHGKMJSA-N 1 0 380.330 2.687 20 0 GFADRO C[C@]1(F)C[NH2+]CCN(CC(=O)Nc2ccc(Br)cc2Cl)C1 ZINC000647981807 565686289 /nfs/dbraw/zinc/68/62/89/565686289.db2.gz FTTKVRMDJDZGGI-AWEZNQCLSA-N 1 0 378.673 2.674 20 0 GFADRO CCOC(=O)[C@@](C)(O)C[N@@H+]1CC[C@H](Sc2ccc(Br)cc2)C1 ZINC000599526733 565686508 /nfs/dbraw/zinc/68/65/08/565686508.db2.gz QRGGSRAQPFKIEW-HOCLYGCPSA-N 1 0 388.327 2.930 20 0 GFADRO C[C@H](NC(=O)N[C@@H]1CCC[NH2+]CC1)c1cc2c(cc1Br)OCCO2 ZINC000669399094 565686768 /nfs/dbraw/zinc/68/67/68/565686768.db2.gz ZAUYRNOBGMBZHZ-NWDGAFQWSA-N 1 0 398.301 2.723 20 0 GFADRO C[C@H](O)C[NH+]1CCN(Cc2cc(OC(F)F)ccc2Br)CC1 ZINC000648006609 565687462 /nfs/dbraw/zinc/68/74/62/565687462.db2.gz OQQXBZGHKIWERG-NSHDSACASA-N 1 0 379.245 2.549 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CN(C(=O)N[C@H](C)CCc2ccc(Br)cc2)CCO1 ZINC000669405231 565688425 /nfs/dbraw/zinc/68/84/25/565688425.db2.gz DRJCWGUFPUDLGE-IOASZLSFSA-N 1 0 384.318 2.528 20 0 GFADRO CC[C@@H]1CN(C(=O)N[C@@H]2CCN(c3ccc(Br)cc3)C2)CC[C@@H]1[NH3+] ZINC000669458040 565688903 /nfs/dbraw/zinc/68/89/03/565688903.db2.gz KUCYKYDHROPTCV-UNEWFSDZSA-N 1 0 395.345 2.797 20 0 GFADRO CCOc1ccc(Br)cc1CN(C(=O)COC1(C)C[NH2+]C1)C1CC1 ZINC000648068097 565689418 /nfs/dbraw/zinc/68/94/18/565689418.db2.gz BFDUCCHYOZGBJE-UHFFFAOYSA-N 1 0 397.313 2.717 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)C2(c3ccc(Br)cc3)CCCCC2)CCO1 ZINC000648110637 565690979 /nfs/dbraw/zinc/69/09/79/565690979.db2.gz ZQIDOLAXTKZMOS-MRXNPFEDSA-N 1 0 381.314 2.837 20 0 GFADRO O=C(NCc1cccs1)c1cc(NC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)ccc1Cl ZINC000648099076 565691407 /nfs/dbraw/zinc/69/14/07/565691407.db2.gz GQJBLEYYGCKEOB-FOLVSLTJSA-N 1 0 375.881 2.735 20 0 GFADRO CN1CC[C@H](NC(=O)[C@H]2C[NH2+]CCC2(F)F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000648162087 565691961 /nfs/dbraw/zinc/69/19/61/565691961.db2.gz IGWCWZLECCLWAB-UGFHNGPFSA-N 1 0 375.822 2.585 20 0 GFADRO C[C@H](Cc1ccc(F)c(Br)c1)NC(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000669535336 565692155 /nfs/dbraw/zinc/69/21/55/565692155.db2.gz COXFQADIDBVFOD-FFSVYQOJSA-N 1 0 384.293 2.913 20 0 GFADRO C[C@@H](CC(=O)N1CC[NH2+]C[C@@H]1c1ccccc1)n1cc(Br)cn1 ZINC000648177548 565692301 /nfs/dbraw/zinc/69/23/01/565692301.db2.gz GSXZJRAEXPAHJF-XJKSGUPXSA-N 1 0 377.286 2.770 20 0 GFADRO O=C(N[C@@H](Cc1ccccn1)c1ccc(Br)cc1)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000648151857 565692401 /nfs/dbraw/zinc/69/24/01/565692401.db2.gz UORMALMHPGMBGT-XWTMOSNGSA-N 1 0 386.293 2.710 20 0 GFADRO CN(CCC[NH3+])C(=O)NCCOc1ccc(Br)cc1C(F)(F)F ZINC000669547625 565692536 /nfs/dbraw/zinc/69/25/36/565692536.db2.gz NCNWWMLNVDKGGG-UHFFFAOYSA-N 1 0 398.223 2.837 20 0 GFADRO COC(=O)c1cc(Br)c(F)cc1NC(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000599604265 565692731 /nfs/dbraw/zinc/69/27/31/565692731.db2.gz OEWQKKITZVZYGY-RKDXNWHRSA-N 1 0 388.237 2.637 20 0 GFADRO O=C(NCc1noc(-c2cccc(Br)c2)n1)[C@H]1CCCCC[NH2+]1 ZINC000648174451 565692790 /nfs/dbraw/zinc/69/27/90/565692790.db2.gz UIGXLMLMWNQFKZ-CYBMUJFWSA-N 1 0 379.258 2.648 20 0 GFADRO COC(=O)c1cc(NC(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)c(C)cc1Br ZINC000599605259 565692940 /nfs/dbraw/zinc/69/29/40/565692940.db2.gz XRIXMBQTAWOLBS-MNOVXSKESA-N 1 0 384.274 2.806 20 0 GFADRO O=C(N[C@@H]1COc2cc(F)c(Br)cc21)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000669581059 565693196 /nfs/dbraw/zinc/69/31/96/565693196.db2.gz CULHJTZMQIBWQD-IINYFYTJSA-N 1 0 384.249 2.558 20 0 GFADRO CC[C@@H]1CN(C(=O)N[C@H]2CCN(c3cccc(Br)c3)C2)CC[C@H]1[NH3+] ZINC000669571964 565693701 /nfs/dbraw/zinc/69/37/01/565693701.db2.gz DRVXDEXPOXSQEW-UKPHBRMFSA-N 1 0 395.345 2.797 20 0 GFADRO CCOC(=O)c1ccsc1NC(=O)N1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000599608380 565694101 /nfs/dbraw/zinc/69/41/01/565694101.db2.gz PLRUBLQNFAOANI-GXSJLCMTSA-N 1 0 379.404 2.916 20 0 GFADRO O=C(N[C@H](c1cncc(Br)c1)C1CC1)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000669582794 565694221 /nfs/dbraw/zinc/69/42/21/565694221.db2.gz USKRDAHQDLNLLE-LYRGGWFBSA-N 1 0 379.302 2.689 20 0 GFADRO Cc1cc(Br)c(F)c(C(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)c1 ZINC000626591750 565702228 /nfs/dbraw/zinc/70/22/28/565702228.db2.gz AJPNXQNIYKUWCR-GFCCVEGCSA-N 1 0 387.293 2.814 20 0 GFADRO CC[N@@H+]1CCN(c2nnc(-c3cc(OC)ccc3Br)n2C)C[C@H]1C ZINC000669792903 565702385 /nfs/dbraw/zinc/70/23/85/565702385.db2.gz RCYZJUNMNNGPSE-GFCCVEGCSA-N 1 0 394.317 2.784 20 0 GFADRO C[C@H](CC(=O)Nc1ccnc(OCC[NH+](C)C)c1)n1cc(Br)cn1 ZINC000648339718 565704712 /nfs/dbraw/zinc/70/47/12/565704712.db2.gz MKAUECVZKXCOML-GFCCVEGCSA-N 1 0 396.289 2.571 20 0 GFADRO CSc1ccc(NC(=O)NC[C@@H]2C[N@H+](C)CCN2C)cc1Br ZINC000626647013 565705117 /nfs/dbraw/zinc/70/51/17/565705117.db2.gz FLGUDPMENDKNDH-GFCCVEGCSA-N 1 0 387.347 2.538 20 0 GFADRO O=C(NCCSCc1ccc(Cl)cc1Cl)NC[C@@H]1COCC[NH2+]1 ZINC000599917380 565705942 /nfs/dbraw/zinc/70/59/42/565705942.db2.gz JNWBAPCLWNYARG-CYBMUJFWSA-N 1 0 378.325 2.514 20 0 GFADRO CC(C)[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000669905576 565706807 /nfs/dbraw/zinc/70/68/07/565706807.db2.gz JHAOHVPCPLDYOU-XJKSGUPXSA-N 1 0 383.945 2.756 20 0 GFADRO Cn1nc2cc(Br)ccc2c1C(=O)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000648400502 565711198 /nfs/dbraw/zinc/71/11/98/565711198.db2.gz SBFWJHOFHFRLCB-KRWDZBQOSA-N 1 0 377.286 2.504 20 0 GFADRO Cc1ccc(Cl)c(NC(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1 ZINC000626861293 565712840 /nfs/dbraw/zinc/71/28/40/565712840.db2.gz NHVKMYGUQZMBRE-QWRGUYRKSA-N 1 0 377.794 2.573 20 0 GFADRO CC(C)[C@@H]1C[NH2+]CCN1C(=O)C(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000626844673 565712846 /nfs/dbraw/zinc/71/28/46/565712846.db2.gz OHNDQQCQBQJLBE-ZDUSSCGKSA-N 1 0 377.794 2.754 20 0 GFADRO Cc1ccc(Cl)cc1NC(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000626861281 565712946 /nfs/dbraw/zinc/71/29/46/565712946.db2.gz NEYHNRKPRWZIOH-PWSUYJOCSA-N 1 0 377.794 2.573 20 0 GFADRO CC(C)(C)NS(=O)(=O)CC[NH2+]Cc1cnc(-c2c(F)cccc2F)s1 ZINC000648437083 565713372 /nfs/dbraw/zinc/71/33/72/565713372.db2.gz KLERAJCRQYAMLZ-UHFFFAOYSA-N 1 0 389.493 2.896 20 0 GFADRO C[C@@H]1CC[C@@H](NC(=O)NC[C@@H]2CCN(c3cccc(Br)c3)C2)C[NH2+]1 ZINC000626948718 565716823 /nfs/dbraw/zinc/71/68/23/565716823.db2.gz KYVKDLQDSKUDNU-IJEWVQPXSA-N 1 0 395.345 2.715 20 0 GFADRO C[C@@H]1CC[C@@H](NC(=O)NCc2cc(Br)ccc2OC(F)F)C[NH2+]1 ZINC000626961879 565717046 /nfs/dbraw/zinc/71/70/46/565717046.db2.gz KHXKNGVGBOIOFQ-BXKDBHETSA-N 1 0 392.244 2.990 20 0 GFADRO COC(=O)c1nn(-c2ccc(Cl)c(Cl)c2)cc1C[NH2+]C[C@H]1C[C@@H](O)C1 ZINC000600207854 565717228 /nfs/dbraw/zinc/71/72/28/565717228.db2.gz OSCKFQJTJVEGJR-GSJFWJNXSA-N 1 0 384.263 2.826 20 0 GFADRO C[C@H](CNC(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)Oc1ccccc1Br ZINC000626993169 565717667 /nfs/dbraw/zinc/71/76/67/565717667.db2.gz CRFASWGKWBWCLL-XWIAVFTESA-N 1 0 396.329 2.857 20 0 GFADRO CC[C@@H](CNC(=O)NC1(C[NH3+])CCOCC1)Cc1cccc(Br)c1 ZINC000626981435 565718148 /nfs/dbraw/zinc/71/81/48/565718148.db2.gz OSDPRZZYIQXITE-CQSZACIVSA-N 1 0 398.345 2.825 20 0 GFADRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)NCCCOc1ncc(C(F)(F)F)cc1Cl ZINC000627005912 565718616 /nfs/dbraw/zinc/71/86/16/565718616.db2.gz NMXIZIINMIDQAU-JOYOIKCWSA-N 1 0 380.798 2.572 20 0 GFADRO CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000627008348 565718776 /nfs/dbraw/zinc/71/87/76/565718776.db2.gz GJDLITXGRQAGIY-KOZAUXTDSA-N 1 0 384.318 2.965 20 0 GFADRO C[C@@H](NC(=O)N[C@@H]1CC[NH2+][C@H]1C)c1nc(-c2ccc(Br)cc2)no1 ZINC000627000367 565718951 /nfs/dbraw/zinc/71/89/51/565718951.db2.gz PLCBBQIUGSFCJY-OPQQBVKSSA-N 1 0 394.273 2.610 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)[C@]12CCC(=O)N1c1cc(Cl)ccc1S2 ZINC000670376610 565720079 /nfs/dbraw/zinc/72/00/79/565720079.db2.gz HPVVKCDTQWZRDR-SNUQEOBHSA-N 1 0 379.913 2.868 20 0 GFADRO CC[C@H](NC(=O)N(C)CCOCC[NH3+])c1cc(F)cc(Br)c1 ZINC000627017038 565720033 /nfs/dbraw/zinc/72/00/33/565720033.db2.gz YSLHNPXHHBJUIG-AWEZNQCLSA-N 1 0 376.270 2.656 20 0 GFADRO C[NH2+]CCOCCN(C)C(=O)N[C@@H](C)c1ccc(Br)cc1F ZINC000627035255 565720490 /nfs/dbraw/zinc/72/04/90/565720490.db2.gz CHGIULQMWVPHHH-NSHDSACASA-N 1 0 376.270 2.527 20 0 GFADRO [NH3+]CC1(NC(=O)NCC2(c3ccccc3Br)CCC2)CCOCC1 ZINC000627042440 565720597 /nfs/dbraw/zinc/72/05/97/565720597.db2.gz BINQKWVSDOOICR-UHFFFAOYSA-N 1 0 396.329 2.678 20 0 GFADRO C[C@@H]1C[C@@H](c2ccc(Br)cc2)CN1C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000627103638 565722030 /nfs/dbraw/zinc/72/20/30/565722030.db2.gz VYBXCRKQSLFIJM-UNEWFSDZSA-N 1 0 396.329 2.715 20 0 GFADRO O=C(NC[C@H]1C[N@@H+]2CCN1CCC2)c1csc(-c2ccccc2Cl)n1 ZINC000670407296 565722045 /nfs/dbraw/zinc/72/20/45/565722045.db2.gz OBMUDCUBOPUEAW-ZDUSSCGKSA-N 1 0 376.913 2.583 20 0 GFADRO C[C@H](NC(=O)NC1(C[NH3+])CCOCC1)c1cc(F)c(Br)cc1F ZINC000627125724 565722908 /nfs/dbraw/zinc/72/29/08/565722908.db2.gz ORBZGWWBAIEQJM-VIFPVBQESA-N 1 0 392.244 2.595 20 0 GFADRO CC(C)[N@@H+]1CC[C@H](CNC(=O)c2c3ccc(Br)cc3nn2C)C1 ZINC000648753456 565725700 /nfs/dbraw/zinc/72/57/00/565725700.db2.gz VLKXQUOZSIDEEN-GFCCVEGCSA-N 1 0 379.302 2.796 20 0 GFADRO C[C@@H]1CC[C@H](NC(=O)N2CCO[C@H](c3ccc(Br)cc3)C2)C[NH2+]1 ZINC000627194772 565726310 /nfs/dbraw/zinc/72/63/10/565726310.db2.gz HACVHQZAHACAQF-KCXAZCMYSA-N 1 0 382.302 2.673 20 0 GFADRO COc1ccc(CN2CCC[C@]3(CCS(=O)(=O)C3)C2)cc1OC(F)F ZINC000648768944 565726866 /nfs/dbraw/zinc/72/68/66/565726866.db2.gz WTTIECAIRWTUNG-KRWDZBQOSA-N 1 0 375.437 2.697 20 0 GFADRO CC[C@H]1Cc2c(Br)cccc2CN1C(=O)NCCOCCC[NH3+] ZINC000627217807 565726863 /nfs/dbraw/zinc/72/68/63/565726863.db2.gz VDAOPYLJJJHZEQ-AWEZNQCLSA-N 1 0 384.318 2.661 20 0 GFADRO C[C@@H](CC(=O)N(CC[NH+](C)C)Cc1ccccn1)n1cc(Br)cn1 ZINC000648775030 565728014 /nfs/dbraw/zinc/72/80/14/565728014.db2.gz XWWMKIQAELNAIZ-AWEZNQCLSA-N 1 0 394.317 2.582 20 0 GFADRO O=C(CCCCc1ccc(Br)cc1)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000627256197 565728141 /nfs/dbraw/zinc/72/81/41/565728141.db2.gz IAWDQUGSKQEITI-ZWKOTPCHSA-N 1 0 395.341 2.829 20 0 GFADRO CC[C@H](C[NH+]1CCCC1)NC(=O)c1c2ccc(Br)cc2nn1C ZINC000648786942 565729827 /nfs/dbraw/zinc/72/98/27/565729827.db2.gz WXYQYNVYFDBRCF-CYBMUJFWSA-N 1 0 379.302 2.940 20 0 GFADRO Cc1cc(Br)cc(Cl)c1C(=O)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000627262756 565730861 /nfs/dbraw/zinc/73/08/61/565730861.db2.gz UAOVUUCYCXMWJG-OLZOCXBDSA-N 1 0 387.705 2.692 20 0 GFADRO CCN(CC[NH3+])C(=O)C(=O)NCC1(c2ccc(Cl)cc2Cl)CCCC1 ZINC000627327725 565732869 /nfs/dbraw/zinc/73/28/69/565732869.db2.gz HIRTZUXKZLOXJW-UHFFFAOYSA-N 1 0 386.323 2.729 20 0 GFADRO CC[NH+](CC)CCOCCNC(=O)[C@@H]1CCc2cc(Br)ccc21 ZINC000648860774 565735196 /nfs/dbraw/zinc/73/51/96/565735196.db2.gz YVXFRVTXSPTWCW-QGZVFWFLSA-N 1 0 383.330 2.954 20 0 GFADRO C[C@@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000627444739 565736328 /nfs/dbraw/zinc/73/63/28/565736328.db2.gz VANNIRPZWSXXER-NHYWBVRUSA-N 1 0 384.307 2.914 20 0 GFADRO C[C@@H]1[C@H](C(=O)NCc2cnn(-c3ccc(Br)cc3)c2)CC[N@@H+]1C ZINC000648882026 565737347 /nfs/dbraw/zinc/73/73/47/565737347.db2.gz FFBYWSZWMGFTEM-MLGOLLRUSA-N 1 0 377.286 2.591 20 0 GFADRO C[N@@H+]1C[C@H]2CCN(C(=O)c3cc(Br)ccc3OC(F)F)[C@H]2C1 ZINC000648911468 565738503 /nfs/dbraw/zinc/73/85/03/565738503.db2.gz NBVVHBMSTKTBIL-SKDRFNHKSA-N 1 0 375.213 2.827 20 0 GFADRO CCN(C(=O)c1cc(Br)cc2c1OCCO2)C1CC[NH+](C)CC1 ZINC000627615049 565743987 /nfs/dbraw/zinc/74/39/87/565743987.db2.gz JEZBCKRBZDBBNC-UHFFFAOYSA-N 1 0 383.286 2.777 20 0 GFADRO C[C@H](CCNC(=O)C(=O)Nc1cc(Cl)c(Br)cc1F)[NH+](C)C ZINC000627639106 565745248 /nfs/dbraw/zinc/74/52/48/565745248.db2.gz IZLQCASVXXDRCL-MRVPVSSYSA-N 1 0 394.672 2.637 20 0 GFADRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)c1[nH]c2ccc(Cl)cc2c1Cl ZINC000649078657 565746364 /nfs/dbraw/zinc/74/63/64/565746364.db2.gz NPXQVSUBJNMNLT-SNVBAGLBSA-N 1 0 383.279 2.667 20 0 GFADRO CCn1cc(Br)cc1C(=O)N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000627739391 565749340 /nfs/dbraw/zinc/74/93/40/565749340.db2.gz BBNUYPIVBJQJHO-UHFFFAOYSA-N 1 0 384.318 2.597 20 0 GFADRO C[NH+](C)C[C@@H]1CN(S(=O)(=O)c2cc(Cl)ccc2F)c2ccccc2O1 ZINC000671176800 565755084 /nfs/dbraw/zinc/75/50/84/565755084.db2.gz HULAKYMNDSZXAQ-CYBMUJFWSA-N 1 0 384.860 2.997 20 0 GFADRO CC(C)([NH3+])CCC(=O)N[C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000649344579 565758471 /nfs/dbraw/zinc/75/84/71/565758471.db2.gz DYBWJBMVRHQAPE-LLVKDONJSA-N 1 0 378.826 2.966 20 0 GFADRO CC(C)([NH3+])CCC(=O)N1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000649299435 565758578 /nfs/dbraw/zinc/75/85/78/565758578.db2.gz VMXLKWZBHKAJOX-GFCCVEGCSA-N 1 0 397.317 2.539 20 0 GFADRO CN(Cc1ccccc1Br)C(=O)C[N@@H+]1CC[C@@]2(C1)CCCOC2 ZINC000671254935 565759190 /nfs/dbraw/zinc/75/91/90/565759190.db2.gz PHSPIUPONTULRY-GOSISDBHSA-N 1 0 381.314 2.910 20 0 GFADRO O=C(NC[C@H]1CC[N@@H+]1C1CCCC1)C(=O)Nc1ccc(Br)c(F)c1 ZINC000627906796 565762139 /nfs/dbraw/zinc/76/21/39/565762139.db2.gz GUFBHBNIELNYRT-CYBMUJFWSA-N 1 0 398.276 2.660 20 0 GFADRO COc1cc(C[NH2+]CCOCC(=O)OC(C)(C)C)cc(Br)c1O ZINC000601145225 565768452 /nfs/dbraw/zinc/76/84/52/565768452.db2.gz JNEVNDLEGIRFQE-UHFFFAOYSA-N 1 0 390.274 2.611 20 0 GFADRO O=S1(=O)CCCN1[C@H]1CCC[N@@H+](CCc2cccc(C(F)(F)F)c2)C1 ZINC000628254947 565780637 /nfs/dbraw/zinc/78/06/37/565780637.db2.gz VYOPPBZQGYNECQ-INIZCTEOSA-N 1 0 376.444 2.748 20 0 GFADRO CC[NH+]1CCN(CC(=O)NCC/C=C\c2ccc(Br)cc2)CC1 ZINC000628336088 565784428 /nfs/dbraw/zinc/78/44/28/565784428.db2.gz ZSFBQXREKDKWAM-HYXAFXHYSA-N 1 0 380.330 2.606 20 0 GFADRO C[C@H](C[NH2+]C[C@H](n1cccn1)C(F)(F)F)c1ccc(S(C)(=O)=O)cc1 ZINC000628381150 565787844 /nfs/dbraw/zinc/78/78/44/565787844.db2.gz SNVLVOURPMYCIB-DOMZBBRYSA-N 1 0 375.416 2.783 20 0 GFADRO O=C(c1ccc(I)c(F)c1)N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000601555276 565791159 /nfs/dbraw/zinc/79/11/59/565791159.db2.gz CUEOPKMRBSWWEI-FZMZJTMJSA-N 1 0 388.224 2.644 20 0 GFADRO Cc1ccc(C(=O)N2CCC[C@H]3C[NH2+]CC[C@@H]32)cc1I ZINC000601560998 565792108 /nfs/dbraw/zinc/79/21/08/565792108.db2.gz ZUUMILPAULJDLK-ZFWWWQNUSA-N 1 0 384.261 2.814 20 0 GFADRO O=C(Nc1ccc(I)cc1Cl)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000601569255 565792180 /nfs/dbraw/zinc/79/21/80/565792180.db2.gz WYJURHGMYGSIIT-IUCAKERBSA-N 1 0 377.613 2.523 20 0 GFADRO O=C(Nc1cc(F)c(F)cc1I)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000601559355 565792288 /nfs/dbraw/zinc/79/22/88/565792288.db2.gz JCOOQBDWHDBBEN-OCAPTIKFSA-N 1 0 393.175 2.538 20 0 GFADRO C[C@H](NC(=O)C(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C)c1ccsc1 ZINC000671985251 565792760 /nfs/dbraw/zinc/79/27/60/565792760.db2.gz BEXIXOCSVZMISQ-BLLLJJGKSA-N 1 0 379.913 2.998 20 0 GFADRO C[C@@H](NC(=O)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1)c1cccc(Cl)c1Cl ZINC000672311102 565802070 /nfs/dbraw/zinc/80/20/70/565802070.db2.gz VTIFFWBFLCJUKW-DGCLKSJQSA-N 1 0 384.307 2.771 20 0 GFADRO O=C([C@H]1CC[N@@H+](Cc2cn3cc(Br)ccc3n2)C1)N1CCCC1 ZINC000672572798 565812282 /nfs/dbraw/zinc/81/22/82/565812282.db2.gz PQEVWTJMIOHCEY-ZDUSSCGKSA-N 1 0 377.286 2.541 20 0 GFADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N(C)Cc1cc(Cl)cc(Cl)c1 ZINC000672694983 565814090 /nfs/dbraw/zinc/81/40/90/565814090.db2.gz FTGRQORMGHCMMJ-INIZCTEOSA-N 1 0 386.323 2.942 20 0 GFADRO CC(C)[N@@H+]1CC[C@@H](N(C)S(=O)(=O)Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000650344420 565815143 /nfs/dbraw/zinc/81/51/43/565815143.db2.gz NZIYPSJJXKZHLH-CQSZACIVSA-N 1 0 380.432 2.830 20 0 GFADRO C[NH+](C)C1CCN(C(=O)c2ccc3[nH]cc(I)c3c2)CC1 ZINC000602094125 565822389 /nfs/dbraw/zinc/82/23/89/565822389.db2.gz BWYSTCPAEQPIDD-UHFFFAOYSA-N 1 0 397.260 2.939 20 0 GFADRO CCN(C(=O)C[C@@H](n1ccnc1)C(F)(F)F)c1ncc(C(=O)OC)s1 ZINC000602103458 565823222 /nfs/dbraw/zinc/82/32/22/565823222.db2.gz AFVCODYERSBKJZ-SNVBAGLBSA-N 1 0 376.360 2.673 20 0 GFADRO CCOC(=O)[C@H](Cc1cc(Cl)cc(Cl)c1)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000602118233 565823613 /nfs/dbraw/zinc/82/36/13/565823613.db2.gz IMGUODRBBJVOEG-LRDDRELGSA-N 1 0 387.307 2.926 20 0 GFADRO CCOC(=O)C[C@H](NC(=O)C[C@H]1CC[N@H+](C)C1)c1cccc(Br)c1 ZINC000602131671 565824307 /nfs/dbraw/zinc/82/43/07/565824307.db2.gz TZTQEQKCTQLOCV-CJNGLKHVSA-N 1 0 397.313 2.901 20 0 GFADRO O=C(N[C@H]1C[C@@H]([NH+]2CCCC2)C1)c1ccc(F)c(I)c1 ZINC000602165514 565828023 /nfs/dbraw/zinc/82/80/23/565828023.db2.gz BDZVTFWWJGJDPW-TXEJJXNPSA-N 1 0 388.224 2.787 20 0 GFADRO C[C@@H]1[C@@H](NC(=O)CCn2cc(Br)cn2)CC[N@@H+]1Cc1ccccc1 ZINC000673322121 565831890 /nfs/dbraw/zinc/83/18/90/565831890.db2.gz VXFPEGXCPXCOSU-PBHICJAKSA-N 1 0 391.313 2.815 20 0 GFADRO C[NH+](C)C[C@@H]1CN(S(=O)(=O)Cc2cccc(Cl)c2)c2ccccc2O1 ZINC000673569560 565841092 /nfs/dbraw/zinc/84/10/92/565841092.db2.gz HIGMASILXRCUSF-MRXNPFEDSA-N 1 0 380.897 2.999 20 0 GFADRO COc1ccc(NC(=O)NCC(C)(C)N2CC[NH+](C)CC2)cc1Br ZINC000602377980 565842975 /nfs/dbraw/zinc/84/29/75/565842975.db2.gz FLTBCMHXMHRYHL-UHFFFAOYSA-N 1 0 399.333 2.605 20 0 GFADRO Cc1ccc(-c2csc(NC(=O)C3([S@](C)=O)CC[NH2+]CC3)n2)c(C)c1 ZINC000602436066 565847233 /nfs/dbraw/zinc/84/72/33/565847233.db2.gz UQRBZJJBQUUVDB-VWLOTQADSA-N 1 0 377.535 2.866 20 0 GFADRO [NH3+][C@H]1CC=C(C(=O)NCCSCCOc2cccc(Br)c2)C1 ZINC000602456316 565848389 /nfs/dbraw/zinc/84/83/89/565848389.db2.gz XIRBNADPJJWWQH-AWEZNQCLSA-N 1 0 385.327 2.725 20 0 GFADRO COC(=O)CN(Cc1ccc(I)s1)C1CCOCC1 ZINC000602479536 565850977 /nfs/dbraw/zinc/85/09/77/565850977.db2.gz NGNBQQIYAWGSKY-UHFFFAOYSA-N 1 0 395.262 2.507 20 0 GFADRO Cc1cc(C(=O)NCC2=CC[NH2+]CC2)c(I)cc1Cl ZINC000602487843 565851408 /nfs/dbraw/zinc/85/14/08/565851408.db2.gz VXNFMNSZCIOTIE-UHFFFAOYSA-N 1 0 390.652 2.903 20 0 GFADRO Cc1cc(C(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)c(I)cc1Cl ZINC000602490670 565851642 /nfs/dbraw/zinc/85/16/42/565851642.db2.gz CVHMPVQNENEUMI-TVQRCGJNSA-N 1 0 392.668 2.981 20 0 GFADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)c1cnc(-c2cccc(Cl)c2)s1 ZINC000651278326 565853187 /nfs/dbraw/zinc/85/31/87/565853187.db2.gz RSMMCHQEXCZCJO-CYBMUJFWSA-N 1 0 378.929 2.829 20 0 GFADRO C[NH+](C)[C@]1(CNC(=O)c2ccc(Cl)c(N3CCCC3=O)c2)CCSC1 ZINC000673958364 565853754 /nfs/dbraw/zinc/85/37/54/565853754.db2.gz NBLKYNQGOYXMER-SFHVURJKSA-N 1 0 381.929 2.634 20 0 GFADRO O=C1CCCCN1CCC[NH2+]Cc1ccc(I)s1 ZINC000602542922 565853973 /nfs/dbraw/zinc/85/39/73/565853973.db2.gz AXJOOFGNMYSWRL-UHFFFAOYSA-N 1 0 378.279 2.845 20 0 GFADRO COC(=O)c1sc2c(c1Br)CN(C(=O)[C@@H]([NH3+])CCC(C)C)C2 ZINC000602530500 565854223 /nfs/dbraw/zinc/85/42/23/565854223.db2.gz BHKZYHNAIXGFKI-JTQLQIEISA-N 1 0 389.315 2.903 20 0 GFADRO CC[S@](=O)[C@H]1CCC[C@@H]([NH2+]Cc2cnn3cc(Br)cnc23)C1 ZINC000602563099 565854740 /nfs/dbraw/zinc/85/47/40/565854740.db2.gz FHIQZTNGAJOZBF-QLEMLULZSA-N 1 0 385.331 2.661 20 0 GFADRO C[C@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH2+]C[C@@H]1COCCN1 ZINC000629538606 565857564 /nfs/dbraw/zinc/85/75/64/565857564.db2.gz UDPIMYLUMMBVGL-ZYHUDNBSSA-N 1 0 379.810 2.654 20 0 GFADRO C[C@H](NC(=O)CN1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1)c1ccc(Cl)cc1 ZINC000629568449 565858886 /nfs/dbraw/zinc/85/88/86/565858886.db2.gz SNRDAUFXIVHUQY-LNSITVRQSA-N 1 0 377.838 2.976 20 0 GFADRO C[C@]12C[NH2+]C[C@@]1(C)CN(Cc1nc(-c3ccc(Br)s3)no1)C2 ZINC000629585350 565860209 /nfs/dbraw/zinc/86/02/09/565860209.db2.gz SKKYKSVRLUQLDF-GASCZTMLSA-N 1 0 383.315 2.992 20 0 GFADRO [NH3+]C[C@@H]1CCCN(CCCS(=O)(=O)c2ccc(F)cc2)[C@@H]1C(F)(F)F ZINC000629582940 565860381 /nfs/dbraw/zinc/86/03/81/565860381.db2.gz KBUNJRSDBZJZQI-WFASDCNBSA-N 1 0 382.423 2.591 20 0 GFADRO C[C@H]([NH2+]CC(=O)Nc1ccc(I)cc1)[C@H]1CC1(F)F ZINC000602655029 565860533 /nfs/dbraw/zinc/86/05/33/565860533.db2.gz SVHDTKFEJAESPB-GZMMTYOYSA-N 1 0 380.176 2.863 20 0 GFADRO CC(C)(C)[C@@H](O)C[C@@H](CO)[NH2+]Cc1ccc(I)s1 ZINC000602653158 565861123 /nfs/dbraw/zinc/86/11/23/565861123.db2.gz MYRNHURVNWPQMN-ONGXEEELSA-N 1 0 383.295 2.600 20 0 GFADRO O=S(=O)(CC[NH2+]CC[C@H]1CCCOC1)c1cccc(Br)c1 ZINC000629589281 565861713 /nfs/dbraw/zinc/86/17/13/565861713.db2.gz SZWOWLOUDMIEHO-CYBMUJFWSA-N 1 0 376.316 2.629 20 0 GFADRO COC(=O)[C@@H]1OCC[C@@H]1[NH2+][C@H]1CCN(C)[C@H](c2ccc(Br)cc2)C1 ZINC000602709875 565864686 /nfs/dbraw/zinc/86/46/86/565864686.db2.gz JIVGNXKNXBRTRM-LUKYLMHMSA-N 1 0 397.313 2.505 20 0 GFADRO CCOC(=O)[C@@]1(C[NH2+]Cc2ncc(Br)cc2Cl)CCCOC1 ZINC000602744330 565866116 /nfs/dbraw/zinc/86/61/16/565866116.db2.gz JMLFMVGRTUNALW-OAHLLOKOSA-N 1 0 391.693 2.947 20 0 GFADRO CC(C)CC[NH+]1CCC(CNC(=O)CCn2cc(Br)cn2)CC1 ZINC000674309706 565867312 /nfs/dbraw/zinc/86/73/12/565867312.db2.gz OICZWGYDAKFLTF-UHFFFAOYSA-N 1 0 385.350 2.910 20 0 GFADRO Cc1cc(Br)sc1S(=O)(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000651515531 565867725 /nfs/dbraw/zinc/86/77/25/565867725.db2.gz KESZIFTWMMIRHR-JTQLQIEISA-N 1 0 379.345 2.582 20 0 GFADRO COC1CC[NH+](CCNC(=O)c2[nH]c3ccccc3c2Br)CC1 ZINC000674324522 565868733 /nfs/dbraw/zinc/86/87/33/565868733.db2.gz PCCSSUNGHAXVII-UHFFFAOYSA-N 1 0 380.286 2.771 20 0 GFADRO C[C@@H](Sc1ccnc2cc(Cl)ccc21)C(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000629913320 565875148 /nfs/dbraw/zinc/87/51/48/565875148.db2.gz CECKIYSSPIGJEM-OCCSQVGLSA-N 1 0 379.913 2.552 20 0 GFADRO O=S(=O)(Cc1cc(Cl)sc1Cl)N1CC[C@H](CN2CCOCC2)C1 ZINC000651578746 565875462 /nfs/dbraw/zinc/87/54/62/565875462.db2.gz BAOXETWIFQXSKG-LLVKDONJSA-N 1 0 399.365 2.539 20 0 GFADRO O=C(CCCSc1ccc(Br)cc1)NCC[N@H+]1CC[C@H](O)C1 ZINC000629913922 565875900 /nfs/dbraw/zinc/87/59/00/565875900.db2.gz PVRPLFZDBWDGOE-AWEZNQCLSA-N 1 0 387.343 2.504 20 0 GFADRO CC[N@H+](C)C[C@H]1CCN(S(=O)(=O)c2sc(Br)cc2C)C1 ZINC000651583767 565876387 /nfs/dbraw/zinc/87/63/87/565876387.db2.gz SUADNWKVRUZGIU-LLVKDONJSA-N 1 0 381.361 2.781 20 0 GFADRO Cc1cc(Br)c(C[NH2+]C[C@@H]2CCC[C@]23NC(=O)N(C)C3=O)s1 ZINC000651584015 565876813 /nfs/dbraw/zinc/87/68/13/565876813.db2.gz SPNAAPJQMNBXLU-BONVTDFDSA-N 1 0 386.315 2.629 20 0 GFADRO O=S(=O)(Cc1ccc(Cl)cc1)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000651605585 565878531 /nfs/dbraw/zinc/87/85/31/565878531.db2.gz MDQDPFSHHRGYMM-MSOLQXFVSA-N 1 0 386.945 2.527 20 0 GFADRO O=C(C[NH2+][C@@H]1CCCn2nccc21)Nc1ccccc1I ZINC000603027698 565881420 /nfs/dbraw/zinc/88/14/20/565881420.db2.gz MVFAZLFQWSTQAJ-CYBMUJFWSA-N 1 0 396.232 2.551 20 0 GFADRO COCCCN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc(Cl)c(F)c1 ZINC000651712258 565887495 /nfs/dbraw/zinc/88/74/95/565887495.db2.gz YGRXIRHEBMWUDI-UHFFFAOYSA-N 1 0 378.897 2.601 20 0 GFADRO CC[C@@H]([NH3+])c1cn(CCCOc2cccc(I)c2)nn1 ZINC000603211178 565889710 /nfs/dbraw/zinc/88/97/10/565889710.db2.gz IVLGJFKQKQRALK-CYBMUJFWSA-N 1 0 386.237 2.762 20 0 GFADRO CC(C)c1nc(S(=O)(=O)NC[C@H](C[NH+](C)C)c2ccc(Cl)cc2)c[nH]1 ZINC000651764052 565890809 /nfs/dbraw/zinc/89/08/09/565890809.db2.gz BDGBUIWNYSGJAI-CQSZACIVSA-N 1 0 384.933 2.810 20 0 GFADRO C[NH+](C)CCc1cn(Cc2cc(Cl)ccc2I)nn1 ZINC000603237776 565891083 /nfs/dbraw/zinc/89/10/83/565891083.db2.gz WEVMQPRRLZTOBL-UHFFFAOYSA-N 1 0 390.656 2.689 20 0 GFADRO C[C@H]1C[C@@H](NC(=O)CCn2cc(Br)cn2)C[N@@H+]1Cc1ccccc1 ZINC000675134833 565892264 /nfs/dbraw/zinc/89/22/64/565892264.db2.gz QFBDLLWSCAFRDM-WMLDXEAASA-N 1 0 391.313 2.815 20 0 GFADRO C[N@@H+]1C[C@@H]2CCN(C(=O)C(=O)Nc3cc(Cl)c(Cl)c(Cl)c3)[C@@H]2C1 ZINC000651818258 565896827 /nfs/dbraw/zinc/89/68/27/565896827.db2.gz OKOVOSMSENLSFY-QPUJVOFHSA-N 1 0 376.671 2.748 20 0 GFADRO O[C@@H]1CC[N@@H+](C2CN(Cc3csc(COc4ccc(Cl)cc4)n3)C2)C1 ZINC000651978079 565908689 /nfs/dbraw/zinc/90/86/89/565908689.db2.gz RABAOZCWVLGTAG-MRXNPFEDSA-N 1 0 379.913 2.626 20 0 GFADRO Brc1cc(C[NH2+]C2CCN(C[C@H]3CCCO3)CC2)cc2c1OCO2 ZINC000603516893 565910589 /nfs/dbraw/zinc/91/05/89/565910589.db2.gz FKGPLGRHPSLIJE-OAHLLOKOSA-N 1 0 397.313 2.911 20 0 GFADRO O[C@]1(CC[NH2+]Cc2nc(-c3cccc(Br)c3)c[nH]2)CCCOC1 ZINC000652040122 565913298 /nfs/dbraw/zinc/91/32/98/565913298.db2.gz XNXQXDNPWDQYGJ-KRWDZBQOSA-N 1 0 380.286 2.860 20 0 GFADRO CC(C)(C[NH2+][C@H]1CCN(c2ccccc2Br)C1)N1CCOCC1 ZINC000675726939 565913980 /nfs/dbraw/zinc/91/39/80/565913980.db2.gz HDNCTQQRERDJGM-HNNXBMFYSA-N 1 0 382.346 2.728 20 0 GFADRO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CCOC[C@@H]1CCOC1 ZINC000675840704 565917219 /nfs/dbraw/zinc/91/72/19/565917219.db2.gz UDEZDUWKHMNCST-ZIAGYGMSSA-N 1 0 385.302 2.809 20 0 GFADRO O=C(NCCC1CC[NH2+]CC1)N[C@@H]1COc2cc(F)c(Br)cc21 ZINC000652189949 565918959 /nfs/dbraw/zinc/91/89/59/565918959.db2.gz YONLAPBREXCFLE-CQSZACIVSA-N 1 0 386.265 2.711 20 0 GFADRO C[C@H]([NH2+][C@H]1CCN(S(C)(=O)=O)C1)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000652242464 565919890 /nfs/dbraw/zinc/91/98/90/565919890.db2.gz UZVWZPJOXCBWNY-GVXVVHGQSA-N 1 0 381.325 2.773 20 0 GFADRO COCC[NH+]1CCC(NC(=O)[C@@H]2C[C@@]2(C)c2cccc(Br)c2)CC1 ZINC000630832206 565921525 /nfs/dbraw/zinc/92/15/25/565921525.db2.gz DBCAGZCXCSGVDC-HKUYNNGSSA-N 1 0 395.341 2.954 20 0 GFADRO CN(CC[NH+]1CCCCC1)C(=O)C(=O)Nc1nc(-c2cccs2)cs1 ZINC000652292184 565921507 /nfs/dbraw/zinc/92/15/07/565921507.db2.gz BMFVCTRKRYUACM-UHFFFAOYSA-N 1 0 378.523 2.754 20 0 GFADRO CN(C(=O)NCCC1CC[NH2+]CC1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000652321261 565922030 /nfs/dbraw/zinc/92/20/30/565922030.db2.gz ZXEMXSRTZRPZRQ-DLBZAZTESA-N 1 0 386.323 2.983 20 0 GFADRO Cc1cc(Br)sc1S(=O)(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000652369177 565924170 /nfs/dbraw/zinc/92/41/70/565924170.db2.gz NFUPYZOGAVSMMI-UHFFFAOYSA-N 1 0 387.324 2.901 20 0 GFADRO Cc1cc(S(=O)(=O)N2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)sc1Cl ZINC000652374186 565925493 /nfs/dbraw/zinc/92/54/93/565925493.db2.gz LFYODYKYBJLYAU-AVGNSLFASA-N 1 0 378.947 2.617 20 0 GFADRO CC(C)C[N@H+](C)CCCNC(=O)C(=O)N(C)Cc1cccc(Br)c1 ZINC000652402321 565928783 /nfs/dbraw/zinc/92/87/83/565928783.db2.gz ZVUFYYWSWHADSC-UHFFFAOYSA-N 1 0 398.345 2.502 20 0 GFADRO CCO[C@@H]1CN(C(=O)Nc2cc(F)cc(F)c2Br)C[C@H]1C[NH3+] ZINC000652597640 565934519 /nfs/dbraw/zinc/93/45/19/565934519.db2.gz ITJVMTVLDYXEEF-PRHODGIISA-N 1 0 378.217 2.555 20 0 GFADRO CCO[C@@H]1CN(C(=O)N[C@@H](c2ccc(Cl)cc2)C(F)(F)F)C[C@H]1C[NH3+] ZINC000652596120 565935085 /nfs/dbraw/zinc/93/50/85/565935085.db2.gz PYPQDMJTBJMVHM-BNOWGMLFSA-N 1 0 379.810 2.949 20 0 GFADRO CCC[NH+]1CCC(Nc2cccc(OC(F)(F)F)c2S(N)(=O)=O)CC1 ZINC000631042029 565935644 /nfs/dbraw/zinc/93/56/44/565935644.db2.gz FNXVCDIFGAGKJN-UHFFFAOYSA-N 1 0 381.420 2.519 20 0 GFADRO Fc1cc(Br)ccc1CCC[NH2+]Cc1cn(C[C@@H]2CCOC2)nn1 ZINC000631074941 565937869 /nfs/dbraw/zinc/93/78/69/565937869.db2.gz LLBBOKYALWMIGF-ZDUSSCGKSA-N 1 0 397.292 2.939 20 0 GFADRO CN(C)C(=O)CN1CC[NH+](CC/C=C/c2ccc(Br)cc2)CC1 ZINC000604996775 565942887 /nfs/dbraw/zinc/94/28/87/565942887.db2.gz GTOMFLVWUVDWSG-HWKANZROSA-N 1 0 380.330 2.558 20 0 GFADRO NS(=O)(=O)c1cc(C[NH2+]C[C@H](CO)c2ccc(Cl)cc2)ccc1Cl ZINC000631136706 565944555 /nfs/dbraw/zinc/94/45/55/565944555.db2.gz OCSNDYPVJASMJR-CYBMUJFWSA-N 1 0 389.304 2.507 20 0 GFADRO O=C([C@H]1CCOc2ccc(Br)cc21)N1CCC2(CC[NH2+]C2)CC1 ZINC000653143733 565956131 /nfs/dbraw/zinc/95/61/31/565956131.db2.gz ZKQRWWAMXVEGLJ-AWEZNQCLSA-N 1 0 379.298 2.917 20 0 GFADRO Cc1c(Br)c2ccccc2n1CC(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000653134086 565956326 /nfs/dbraw/zinc/95/63/26/565956326.db2.gz LUMAVWNUYVELKM-ZFWWWQNUSA-N 1 0 376.298 2.923 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(C(=O)Cc3ccc(Br)c(F)c3)C2)C1 ZINC000653182033 565957731 /nfs/dbraw/zinc/95/77/31/565957731.db2.gz MWLMBMMPSLZOAL-CPUCHLNUSA-N 1 0 399.304 2.876 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(C(=O)COc3ccc(Br)cc3)C2)C1 ZINC000653190425 565958313 /nfs/dbraw/zinc/95/83/13/565958313.db2.gz KAMLNVNZOPBTKK-LXZKKBNFSA-N 1 0 397.313 2.573 20 0 GFADRO COc1ccc(C(=O)N2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)cc1Br ZINC000653190784 565958549 /nfs/dbraw/zinc/95/85/49/565958549.db2.gz OIQWPBJSUBLAJI-GRDNDAEWSA-N 1 0 397.313 2.816 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(C(=O)COc3ccc(Br)cc3)C2)C1 ZINC000653190426 565958655 /nfs/dbraw/zinc/95/86/55/565958655.db2.gz KAMLNVNZOPBTKK-UNEWFSDZSA-N 1 0 397.313 2.573 20 0 GFADRO CC[N@@H+]1CCN(C(=O)c2ccc(-n3cc(Br)cn3)cc2)C[C@@H]1C ZINC000677182429 565962088 /nfs/dbraw/zinc/96/20/88/565962088.db2.gz HNELKRXNJFIAIC-ZDUSSCGKSA-N 1 0 377.286 2.801 20 0 GFADRO CC(C)[C@H](NS(=O)(=O)CCCN1CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000631705161 565968785 /nfs/dbraw/zinc/96/87/85/565968785.db2.gz YZFQTLYXQIHNES-SFHVURJKSA-N 1 0 387.977 2.594 20 0 GFADRO CC(C)[C@H]([NH2+][C@@H](C)Cn1cc(Br)ccc1=O)[C@H](O)C(F)(F)F ZINC000631717477 565970168 /nfs/dbraw/zinc/97/01/68/565970168.db2.gz QASGCKDIOMZCRM-XDTLVQLUSA-N 1 0 385.224 2.537 20 0 GFADRO OC[C@@H]([NH2+]C[C@H]1CN(c2ccccc2)CCO1)c1ccc(Br)cc1 ZINC000653611895 565974188 /nfs/dbraw/zinc/97/41/88/565974188.db2.gz RVPICXVJZWJITP-RBUKOAKNSA-N 1 0 391.309 2.978 20 0 GFADRO O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)N1CCO[C@H](C(F)(F)F)C1 ZINC000606966066 565975220 /nfs/dbraw/zinc/97/52/20/565975220.db2.gz KAHXIVHEIDBHME-JSGCOSHPSA-N 1 0 377.432 2.858 20 0 GFADRO COC1CC[NH+](CCNC(=O)[C@@H]2C[C@H]2c2cccc(Br)c2)CC1 ZINC000653649890 565975931 /nfs/dbraw/zinc/97/59/31/565975931.db2.gz VEJMYLDKXDWVPV-DLBZAZTESA-N 1 0 381.314 2.780 20 0 GFADRO CC(C)[N@H+](C)CC1CCN(S(=O)(=O)c2onc(C3CC3)c2Cl)CC1 ZINC000631888837 565981079 /nfs/dbraw/zinc/98/10/79/565981079.db2.gz BVGIMJJLKJESBB-UHFFFAOYSA-N 1 0 375.922 2.946 20 0 GFADRO CC[N@H+](CCOc1ccc(Br)cc1)CC[C@H]1CCS(=O)(=O)C1 ZINC000677689198 565981096 /nfs/dbraw/zinc/98/10/96/565981096.db2.gz MPPNJISZGNGMRT-AWEZNQCLSA-N 1 0 390.343 2.975 20 0 GFADRO COCCO[C@H]1CCC[N@H+](C[C@H](O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000677710812 565981500 /nfs/dbraw/zinc/98/15/00/565981500.db2.gz VFHVCNDWBDZGPB-ZFWWWQNUSA-N 1 0 378.296 2.861 20 0 GFADRO C[NH2+]C[C@H]1CCCN(S(=O)(=O)c2ccc(C(F)(F)C(F)(F)F)cc2)C1 ZINC000631900937 565982424 /nfs/dbraw/zinc/98/24/24/565982424.db2.gz MHCCEZSQFONTHY-LLVKDONJSA-N 1 0 386.386 2.961 20 0 GFADRO CCC(C)(C)[NH+]1CCN(C[C@H](O)COc2ccc(Br)cc2)CC1 ZINC000653807812 565984369 /nfs/dbraw/zinc/98/43/69/565984369.db2.gz FYXBVKFXXCTQHD-INIZCTEOSA-N 1 0 385.346 2.995 20 0 GFADRO Cc1cc(Cl)c(Br)cc1S(=O)(=O)N1CC[C@H]([NH3+])C[C@H]1C ZINC000631949078 565985686 /nfs/dbraw/zinc/98/56/86/565985686.db2.gz XFQBRXBACRFOAX-ZJUUUORDSA-N 1 0 381.723 2.911 20 0 GFADRO OCC1([NH2+]C[C@H](O)COc2ccc(Cl)c(Cl)c2)Cc2ccccc2C1 ZINC000607753858 565989082 /nfs/dbraw/zinc/98/90/82/565989082.db2.gz ZSRGNLKUFMZVKV-HNNXBMFYSA-N 1 0 382.287 2.853 20 0 GFADRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)c2cc(=O)[nH]c3ccc(Br)cc32)C1 ZINC000654067044 565995266 /nfs/dbraw/zinc/99/52/66/565995266.db2.gz IIYYXVKRJQWGOI-KLPPZKSPSA-N 1 0 378.270 2.773 20 0 GFADRO C[C@H](C(=O)NCCCN1CCC[N@H+](C)CC1)c1ccc(Br)cc1 ZINC000678045863 565996166 /nfs/dbraw/zinc/99/61/66/565996166.db2.gz LROLDFDXOILSKP-HNNXBMFYSA-N 1 0 382.346 2.696 20 0 GFADRO CC[NH+](CC)CCN(CCC(F)(F)F)S(=O)(=O)C[C@H]1CCC1(F)F ZINC000632083268 565997287 /nfs/dbraw/zinc/99/72/87/565997287.db2.gz NEYDFDFMIYEXBV-GFCCVEGCSA-N 1 0 380.423 2.958 20 0 GFADRO CCOc1c(Br)cc(C[NH2+][C@@H]2CC(=O)N([C@H]3C[C@H]3C)C2)cc1OC ZINC000608073179 566002553 /nfs/dbraw/zinc/00/25/53/566002553.db2.gz YNLLMUDLRYZYBT-KYOSRNDESA-N 1 0 397.313 2.955 20 0 GFADRO O=C(NCC[NH2+]Cc1nc2c(s1)CCC2)c1ccc(Br)cc1 ZINC000678497505 566011951 /nfs/dbraw/zinc/01/19/51/566011951.db2.gz VWTWCUNJVMUZNB-UHFFFAOYSA-N 1 0 380.311 2.914 20 0 GFADRO CC[C@@H]([NH2+]CCCN1CCCS1(=O)=O)c1ccc(Br)cc1 ZINC000678583138 566013166 /nfs/dbraw/zinc/01/31/66/566013166.db2.gz QCVGWYXEBZODSM-OAHLLOKOSA-N 1 0 375.332 2.915 20 0 GFADRO CS(=O)(=O)N1CCC([NH2+]CCc2cc(Cl)ccc2Br)CC1 ZINC000678603085 566014650 /nfs/dbraw/zinc/01/46/50/566014650.db2.gz JETWADGGKQMSQF-UHFFFAOYSA-N 1 0 395.750 2.659 20 0 GFADRO CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000678632256 566014924 /nfs/dbraw/zinc/01/49/24/566014924.db2.gz LJRBQAMERJSIIG-RCBQFDQVSA-N 1 0 384.318 2.919 20 0 GFADRO C[C@H](NC(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ncc(Br)cn1 ZINC000654573525 566015528 /nfs/dbraw/zinc/01/55/28/566015528.db2.gz HYHDDBNWOUVTJA-UBHSHLNASA-N 1 0 382.306 2.616 20 0 GFADRO C[N@@H+]1CC[C@H]2CCN(C(=O)c3ccc4cncc(Br)c4n3)[C@H]2C1 ZINC000632337392 566022546 /nfs/dbraw/zinc/02/25/46/566022546.db2.gz NVZPYTNACPJPMK-NHYWBVRUSA-N 1 0 375.270 2.559 20 0 GFADRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc(I)c(F)c1 ZINC000609164292 566032277 /nfs/dbraw/zinc/03/22/77/566032277.db2.gz LEXZGSQWPDGJEB-UONOGXRCSA-N 1 0 388.224 2.787 20 0 GFADRO Cc1cc(Br)cn2cc(CCNC(=O)CCC3(O)CCC3)nc12 ZINC000632440176 566033480 /nfs/dbraw/zinc/03/34/80/566033480.db2.gz VBIYBQDXJNVSGM-UHFFFAOYSA-N 1 0 380.286 2.759 20 0 GFADRO CS(=O)(=O)CCC[NH2+][C@H](c1ccc(Br)cc1)[C@H]1CCCO1 ZINC000679339413 566037996 /nfs/dbraw/zinc/03/79/96/566037996.db2.gz JMMGTUBJPNSPGN-HUUCEWRRSA-N 1 0 376.316 2.694 20 0 GFADRO CCC[N@H+](CCC(=O)N(C)CC(=O)OC)Cc1ccccc1Br ZINC000609536637 566042659 /nfs/dbraw/zinc/04/26/59/566042659.db2.gz KZJFPABSQHOIFQ-UHFFFAOYSA-N 1 0 385.302 2.683 20 0 GFADRO C[N@@H+]1CCC[C@H](CCNC(=O)c2cnc3ncc(Br)cc3c2)C1 ZINC000655330056 566052980 /nfs/dbraw/zinc/05/29/80/566052980.db2.gz IIZXWDXDOQNAKU-GFCCVEGCSA-N 1 0 377.286 2.854 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)CCC[NH2+]C1(CO)CCOCC1 ZINC000679818591 566053614 /nfs/dbraw/zinc/05/36/14/566053614.db2.gz ZHFXKEACDBDBKA-UHFFFAOYSA-N 1 0 399.329 2.916 20 0 GFADRO C[NH+](C)CCN(Cc1ccsc1)C(=O)CCn1cc(Br)cn1 ZINC000655375115 566054864 /nfs/dbraw/zinc/05/48/64/566054864.db2.gz KSSJHJMACNJIBF-UHFFFAOYSA-N 1 0 385.331 2.688 20 0 GFADRO COc1cc(CNC(=O)c2conc2C(C)(C)[NH3+])cc(Br)c1OC ZINC000655431617 566057012 /nfs/dbraw/zinc/05/70/12/566057012.db2.gz UXQMIFDAUMFNIY-UHFFFAOYSA-N 1 0 398.257 2.578 20 0 GFADRO O=C(NCc1nc(-c2cccc(Br)c2)no1)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000655477800 566058346 /nfs/dbraw/zinc/05/83/46/566058346.db2.gz ZHODISYSCBXBDD-DYVFJYSZSA-N 1 0 391.269 2.505 20 0 GFADRO Cc1c(C(=O)NCc2cccc(Br)c2C)nnn1C1CC[NH2+]CC1 ZINC000655486812 566060041 /nfs/dbraw/zinc/06/00/41/566060041.db2.gz HZPCFYJTTOOHPB-UHFFFAOYSA-N 1 0 392.301 2.512 20 0 GFADRO CCO[C@H]1C[C@@]([NH3+])(C(=O)N2CCOc3cccc(Br)c3C2)C1(C)C ZINC000655502983 566060728 /nfs/dbraw/zinc/06/07/28/566060728.db2.gz ACADHVDVKOETTD-MAUKXSAKSA-N 1 0 397.313 2.703 20 0 GFADRO [NH3+]C[C@@H](NC(=O)[C@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1)C(F)(F)F ZINC000655508398 566061583 /nfs/dbraw/zinc/06/15/83/566061583.db2.gz DBUTUMABSKVCPD-VXGBXAGGSA-N 1 0 398.212 2.604 20 0 GFADRO [NH3+]C[C@H](NC(=O)Cc1csc(COc2ccc(Cl)cc2)n1)C(F)(F)F ZINC000655513896 566062511 /nfs/dbraw/zinc/06/25/11/566062511.db2.gz HQPVUKXEXWHNJJ-LBPRGKRZSA-N 1 0 393.818 2.924 20 0 GFADRO Cc1csc(-c2ccc(S(=O)(=O)NC[C@]3([NH+](C)C)CCSC3)cc2)n1 ZINC000655530416 566065481 /nfs/dbraw/zinc/06/54/81/566065481.db2.gz GQDRQJLHTAKODL-QGZVFWFLSA-N 1 0 397.591 2.834 20 0 GFADRO COc1ccc(CCC(=O)N2CCC[C@H]3C[NH2+]CC[C@H]32)cc1Br ZINC000632860180 566070972 /nfs/dbraw/zinc/07/09/72/566070972.db2.gz JOUNEXWHGFPAIG-GOEBONIOSA-N 1 0 381.314 2.991 20 0 GFADRO [NH3+]C[C@@H]1Cc2ccccc2N(C(=O)c2cc3c(c(Br)c2)OCO3)C1 ZINC000632867402 566072221 /nfs/dbraw/zinc/07/22/21/566072221.db2.gz XVVRQJSMJMEIHB-NSHDSACASA-N 1 0 389.249 2.956 20 0 GFADRO Cc1ccoc1C[NH2+]C[C@H](O)COc1ccc(I)cc1 ZINC000610270853 566075807 /nfs/dbraw/zinc/07/58/07/566075807.db2.gz IWDGZVXICRJHJO-ZDUSSCGKSA-N 1 0 387.217 2.722 20 0 GFADRO [NH3+][C@H]1CCCCCN(C(=O)Nc2ccnn2-c2ccc(Br)cn2)C1 ZINC000632942950 566076186 /nfs/dbraw/zinc/07/61/86/566076186.db2.gz UULVCZCWTGXBRY-ZDUSSCGKSA-N 1 0 393.289 2.765 20 0 GFADRO Cn1ncc(Br)c1CNC(=O)NCCCCC[NH+]1CCCCC1 ZINC000632995145 566078424 /nfs/dbraw/zinc/07/84/24/566078424.db2.gz LHZYYDSFCNQYHA-UHFFFAOYSA-N 1 0 386.338 2.638 20 0 GFADRO Cc1ccc(-c2csc(NC(=O)C(=O)N3CCCCC[C@H]([NH3+])C3)n2)s1 ZINC000633012336 566079596 /nfs/dbraw/zinc/07/95/96/566079596.db2.gz KVRVKQPVEWZUQJ-LBPRGKRZSA-N 1 0 378.523 2.848 20 0 GFADRO C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)Nc1ccc(Br)c(Cl)c1Cl ZINC000633040469 566080304 /nfs/dbraw/zinc/08/03/04/566080304.db2.gz PRAMFZAKVPNWBI-RQJHMYQMSA-N 1 0 395.084 2.643 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N[C@@H]2CC[NH2+]CC(C)(C)C2)c(Br)c1 ZINC000633046722 566081556 /nfs/dbraw/zinc/08/15/56/566081556.db2.gz YZMNXMUDPASXOB-CYBMUJFWSA-N 1 0 396.329 2.899 20 0 GFADRO Brc1cc(C[NH2+]C2CCN([C@@H]3CCOC3)CC2)cc2c1OCO2 ZINC000655699643 566082358 /nfs/dbraw/zinc/08/23/58/566082358.db2.gz HCAIMFNIMOIDBU-CQSZACIVSA-N 1 0 383.286 2.521 20 0 GFADRO Cc1nn(-c2ccccc2Br)cc1C[NH2+][C@]1(CCO)CCOC1 ZINC000655766897 566087636 /nfs/dbraw/zinc/08/76/36/566087636.db2.gz LYUHALQIOGJSSV-QGZVFWFLSA-N 1 0 380.286 2.574 20 0 GFADRO CCN1C[C@H]([NH2+]Cc2cn(-c3ccccc3Br)nc2C)CC1=O ZINC000655778155 566088275 /nfs/dbraw/zinc/08/82/75/566088275.db2.gz DLEYNLQCJJOASQ-CQSZACIVSA-N 1 0 377.286 2.654 20 0 GFADRO Cc1nn(-c2ccccc2Br)cc1C[NH2+][C@@H]1C(=O)NCC[C@H]1C ZINC000655769820 566088495 /nfs/dbraw/zinc/08/84/95/566088495.db2.gz PJMHKAXWWGMYEU-BZNIZROVSA-N 1 0 377.286 2.557 20 0 GFADRO C[NH+](C)CCn1cc(C(=O)NC2(Cc3ccccc3Br)CC2)cn1 ZINC000633185206 566088587 /nfs/dbraw/zinc/08/85/87/566088587.db2.gz DYZGJMBPXPVMOT-UHFFFAOYSA-N 1 0 391.313 2.712 20 0 GFADRO Cc1nn(-c2cccc(Br)c2)cc1C[NH2+][C@H]1C(=O)NCC[C@@H]1C ZINC000655769890 566088717 /nfs/dbraw/zinc/08/87/17/566088717.db2.gz RLAWLNUPCYDRIL-MEDUHNTESA-N 1 0 377.286 2.557 20 0 GFADRO COC[C@](C)(O)CC[NH2+]Cc1cn(-c2cccc(Br)c2)nc1C ZINC000655776322 566088911 /nfs/dbraw/zinc/08/89/11/566088911.db2.gz FWCHEPYRWGXMSG-QGZVFWFLSA-N 1 0 382.302 2.820 20 0 GFADRO CO[C@@](C)(CO)C[NH2+]Cc1c(C)nn(-c2ccc(Br)cc2)c1C ZINC000655808928 566089598 /nfs/dbraw/zinc/08/95/98/566089598.db2.gz LYOALCSPKRDOIF-QGZVFWFLSA-N 1 0 382.302 2.739 20 0 GFADRO COc1c(Br)cc(C[NH2+]C[C@](C)(CO)OC)cc1Br ZINC000655808807 566089822 /nfs/dbraw/zinc/08/98/22/566089822.db2.gz JGWMVUHNAWFJRV-CYBMUJFWSA-N 1 0 397.107 2.707 20 0 GFADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@@H]1CCc2ccccc2NC1=O ZINC000655791709 566090485 /nfs/dbraw/zinc/09/04/85/566090485.db2.gz PMFIVUCLGYXSSY-MLGOLLRUSA-N 1 0 390.281 2.542 20 0 GFADRO C[C@H]([NH2+]C[C@@H]1CCC[C@]12NC(=O)N(C)C2=O)c1nc(C(F)(F)F)cs1 ZINC000681054158 566092986 /nfs/dbraw/zinc/09/29/86/566092986.db2.gz LHSHMFVTOOHXAO-FZNYLWTLSA-N 1 0 376.404 2.533 20 0 GFADRO O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1nc(C2CC2)ncc1Br ZINC000655913924 566094872 /nfs/dbraw/zinc/09/48/72/566094872.db2.gz CUFJUMYDTUPELH-ZIAGYGMSSA-N 1 0 379.302 2.863 20 0 GFADRO CCN(CCOc1ccc(Br)cc1)C(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000655918285 566095779 /nfs/dbraw/zinc/09/57/79/566095779.db2.gz JAQWLOKHTUESIA-GFCCVEGCSA-N 1 0 398.223 2.749 20 0 GFADRO [NH3+]C[C@@H](NC(=O)N1CCC(c2nc3c(s2)CCCC3)CC1)C(F)(F)F ZINC000655931795 566097001 /nfs/dbraw/zinc/09/70/01/566097001.db2.gz PQKLHNKKEMEVQZ-CYBMUJFWSA-N 1 0 376.448 2.801 20 0 GFADRO [NH3+]C[C@H](NC(=O)N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1)C(F)(F)F ZINC000655922578 566097044 /nfs/dbraw/zinc/09/70/44/566097044.db2.gz QXLKVOISKIAMDN-PELKAZGASA-N 1 0 385.217 2.761 20 0 GFADRO [NH3+]C[C@@H](NC(=O)N1CCN(c2c(Cl)cccc2Cl)CC1)C(F)(F)F ZINC000655924352 566097107 /nfs/dbraw/zinc/09/71/07/566097107.db2.gz KTNVKRRJTMCVMF-LLVKDONJSA-N 1 0 385.217 2.715 20 0 GFADRO COc1cc(Br)ccc1[C@@H](C)NC(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000655929909 566097177 /nfs/dbraw/zinc/09/71/77/566097177.db2.gz XLIPIZPNDYYMBC-RDDDGLTNSA-N 1 0 384.196 2.708 20 0 GFADRO CC(C)[NH2+][C@@H]1CCCN(C(=O)Cc2cccc(I)c2)C1 ZINC000610765719 566098531 /nfs/dbraw/zinc/09/85/31/566098531.db2.gz ZKNGCTYYJNCTDX-OAHLLOKOSA-N 1 0 386.277 2.823 20 0 GFADRO Cc1c(Br)cccc1CS(=O)(=O)N1CCCC[C@H]1CC[NH3+] ZINC000655953113 566098798 /nfs/dbraw/zinc/09/87/98/566098798.db2.gz VMFRROYTCDFGEU-AWEZNQCLSA-N 1 0 375.332 2.791 20 0 GFADRO C[C@H](NC(=O)N1CCC[C@@H]([NH+]2CCCC2)C1)c1ncc(Br)cn1 ZINC000655962206 566099454 /nfs/dbraw/zinc/09/94/54/566099454.db2.gz NSQGRYJASYIASL-GXTWGEPZSA-N 1 0 382.306 2.570 20 0 GFADRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)NCCCc1c(Cl)cccc1Cl ZINC000656030010 566101564 /nfs/dbraw/zinc/10/15/64/566101564.db2.gz NNZFXUVZDOZUEI-INIZCTEOSA-N 1 0 388.339 2.874 20 0 GFADRO C[C@@H](C[NH2+]C[C@H](O)COc1ccc(Cl)cc1Cl)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656153054 566106632 /nfs/dbraw/zinc/10/66/32/566106632.db2.gz MWZFOSXTERHTGA-AYDFFVQHSA-N 1 0 391.339 2.820 20 0 GFADRO Cc1nn(-c2cccc(Br)c2)cc1C[NH+]1CCC(OCCO)CC1 ZINC000656254220 566117030 /nfs/dbraw/zinc/11/70/30/566117030.db2.gz DOGNHGJWGTYENZ-UHFFFAOYSA-N 1 0 394.313 2.917 20 0 GFADRO Cn1c2cc(Br)ccc2nc1CN1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000681594179 566117586 /nfs/dbraw/zinc/11/75/86/566117586.db2.gz VLCOBDRFWINLSP-OAHLLOKOSA-N 1 0 393.329 2.632 20 0 GFADRO Fc1cc2c(cc1Br)[C@H](NC1CC[NH+]([C@@H]3CCOC3)CC1)CO2 ZINC000656259275 566118872 /nfs/dbraw/zinc/11/88/72/566118872.db2.gz CMMCYEFAKRSRMH-MLGOLLRUSA-N 1 0 385.277 2.865 20 0 GFADRO Cc1nn(-c2ccccc2Br)cc1C[N@@H+]1CC[C@]2(CNC(=O)C2)C1 ZINC000656257784 566119404 /nfs/dbraw/zinc/11/94/04/566119404.db2.gz KMMXLKBUBFVJRD-SFHVURJKSA-N 1 0 389.297 2.655 20 0 GFADRO O=C(CSCc1cscn1)Nc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000611197665 566121202 /nfs/dbraw/zinc/12/12/02/566121202.db2.gz WIKSHZNHWURVFV-UHFFFAOYSA-N 1 0 377.535 2.972 20 0 GFADRO C[N@@H+]1CC[C@@H](C(=O)N2CC3(CCOCC3)c3ccc(Br)cc32)C1 ZINC000633847523 566127570 /nfs/dbraw/zinc/12/75/70/566127570.db2.gz OKVCNFFXPIQGCV-CYBMUJFWSA-N 1 0 379.298 2.796 20 0 GFADRO CC[NH2+]Cc1ccn(Cc2cn(-c3ccc(Br)cc3F)nn2)n1 ZINC000656452740 566127652 /nfs/dbraw/zinc/12/76/52/566127652.db2.gz VNIONNSLGBACKP-UHFFFAOYSA-N 1 0 379.237 2.523 20 0 GFADRO O=C(NCCC[NH+]1CCCC1)N1CCN(c2ccc(Br)cc2)CC1 ZINC000656547598 566140229 /nfs/dbraw/zinc/14/02/29/566140229.db2.gz ZWVGPGVFDOOUPQ-UHFFFAOYSA-N 1 0 395.345 2.767 20 0 GFADRO O=C(NCc1ccc(Cl)c(Cl)c1)C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000611824052 566142836 /nfs/dbraw/zinc/14/28/36/566142836.db2.gz YQSJLJQVMWROMX-AWEZNQCLSA-N 1 0 384.307 2.743 20 0 GFADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)Cc1cc2c(cc1Br)OCCO2 ZINC000682224083 566147431 /nfs/dbraw/zinc/14/74/31/566147431.db2.gz MOUGXJNXEJHVGU-AWEZNQCLSA-N 1 0 397.313 2.753 20 0 GFADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)Nc1ccc(F)cc1Br ZINC000682272645 566148668 /nfs/dbraw/zinc/14/86/68/566148668.db2.gz NHMZXRIDLWKTMV-LBPRGKRZSA-N 1 0 386.265 2.517 20 0 GFADRO CCC[N@@H+]1CC[C@H](NC(=O)C(=O)NCCCc2c(Cl)cccc2Cl)C1 ZINC000612037882 566149782 /nfs/dbraw/zinc/14/97/82/566149782.db2.gz AXATVCGVTVXQAB-ZDUSSCGKSA-N 1 0 386.323 2.643 20 0 GFADRO COC[C@H]([NH2+][C@H](C)C(=O)Nc1ccccc1Br)C1CCOCC1 ZINC000656678920 566154400 /nfs/dbraw/zinc/15/44/00/566154400.db2.gz NAFOWYNOKPMRQO-WBMJQRKESA-N 1 0 385.302 2.807 20 0 GFADRO C[C@@H]1CCC[C@H](C[NH2+]C[C@@H](O)COc2cc(F)cc(Br)c2)O1 ZINC000656709661 566155433 /nfs/dbraw/zinc/15/54/33/566155433.db2.gz CSWHZVUJZGTGJR-KCPJHIHWSA-N 1 0 376.266 2.875 20 0 GFADRO Cn1ncc(C2CC2)c1C[NH2+]C[C@H](O)COc1cccc(Br)c1 ZINC000656709707 566155572 /nfs/dbraw/zinc/15/55/72/566155572.db2.gz DJCPFCWZHIZAJH-AWEZNQCLSA-N 1 0 380.286 2.590 20 0 GFADRO Cc1ccncc1CC[NH2+]C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000656704583 566156249 /nfs/dbraw/zinc/15/62/49/566156249.db2.gz BZNBFLWKXDZZDF-INIZCTEOSA-N 1 0 383.261 2.864 20 0 GFADRO COCCC1C[NH+](C[C@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000656703633 566156307 /nfs/dbraw/zinc/15/63/07/566156307.db2.gz UZZUSHAYGBAGLL-ZDUSSCGKSA-N 1 0 378.694 2.811 20 0 GFADRO CC(C)C(=O)NC1CC[NH+](C[C@H](O)COc2cc(Cl)cc(Cl)c2)CC1 ZINC000634642061 566161562 /nfs/dbraw/zinc/16/15/62/566161562.db2.gz DNYZMDWZRCGVBY-INIZCTEOSA-N 1 0 389.323 2.970 20 0 GFADRO O[C@@H](COc1cc(Cl)cc(Cl)c1)C[NH+]1CCC(Cn2ccnn2)CC1 ZINC000634646949 566163111 /nfs/dbraw/zinc/16/31/11/566163111.db2.gz OJOSAEBGXJSWGZ-MRXNPFEDSA-N 1 0 385.295 2.737 20 0 GFADRO CC(C)(C[NH2+]C[C@H](O)CC1(O)CCOCC1)c1ccc(Br)cc1 ZINC000634642587 566163269 /nfs/dbraw/zinc/16/32/69/566163269.db2.gz MYLXJTKZMKKVSG-MRXNPFEDSA-N 1 0 386.330 2.609 20 0 GFADRO O[C@@H](C[NH2+]CC1(Cc2ccc(Br)cc2)CC1)CC1(O)CCOCC1 ZINC000634649093 566163706 /nfs/dbraw/zinc/16/37/06/566163706.db2.gz GFFDOBMJXBWKCZ-QGZVFWFLSA-N 1 0 398.341 2.654 20 0 GFADRO C[C@H](NC(=O)c1cc(-c2cccc(Br)c2)no1)[C@@H]1CN(C)CCO1 ZINC000612670896 566169291 /nfs/dbraw/zinc/16/92/91/566169291.db2.gz ODAYLERIMDRGDX-ZBEGNZNMSA-N 1 0 394.269 2.553 20 0 GFADRO C[C@@H](NC(=O)c1cc(-c2cccc(Br)c2)no1)[C@@H]1CN(C)CCO1 ZINC000612670894 566169316 /nfs/dbraw/zinc/16/93/16/566169316.db2.gz ODAYLERIMDRGDX-BZNIZROVSA-N 1 0 394.269 2.553 20 0 GFADRO Cc1c2cc(C(=O)N[C@H](C)[C@H]3CN(C)CCO3)[nH]c2ccc1Br ZINC000612669023 566169490 /nfs/dbraw/zinc/16/94/90/566169490.db2.gz CXNPXDMFBJOOAK-BDJLRTHQSA-N 1 0 380.286 2.688 20 0 GFADRO CS(=O)(=O)N1CCC([NH2+][C@@H]2CCN(c3ccc(Cl)cc3Cl)C2)CC1 ZINC000682734403 566169917 /nfs/dbraw/zinc/16/99/17/566169917.db2.gz DDXBXRWPKWPOKU-CQSZACIVSA-N 1 0 392.352 2.586 20 0 GFADRO Cc1c(F)c(Br)ccc1C(=O)NCCCC[N@@H+]1CCC[C@H]1CO ZINC000612659617 566170062 /nfs/dbraw/zinc/17/00/62/566170062.db2.gz XLUNJWHOJCTBKS-ZDUSSCGKSA-N 1 0 387.293 2.863 20 0 GFADRO CC1(C)Cc2c(cccc2Br)[C@@H]1[NH2+]C[C@@H](O)CC1(O)CCOCC1 ZINC000634713791 566172185 /nfs/dbraw/zinc/17/21/85/566172185.db2.gz BBDPMTSMTXQXDA-GUYCJALGSA-N 1 0 398.341 2.955 20 0 GFADRO CNC(=O)C1CCC([NH2+]C[C@@H](O)COc2cc(Cl)cc(Cl)c2)CC1 ZINC000634711868 566172500 /nfs/dbraw/zinc/17/25/00/566172500.db2.gz VTCWLVFUVVRVDR-WDIPEOLASA-N 1 0 375.296 2.628 20 0 GFADRO C[C@H](C(=O)Nc1ccccc1Br)N(C)[C@@H]1CCCCN(C)C1=O ZINC000634737226 566173470 /nfs/dbraw/zinc/17/34/70/566173470.db2.gz LSURFRBXWQVDIJ-IUODEOHRSA-N 1 0 382.302 2.719 20 0 GFADRO C[C@H](CC(F)(F)F)CS(=O)(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000656879576 566173426 /nfs/dbraw/zinc/17/34/26/566173426.db2.gz QROJRJPBLZNTJM-CYBMUJFWSA-N 1 0 382.448 2.635 20 0 GFADRO C[N@@H+]1CCC[C@H](CNS(=O)(=O)c2cc(Cl)cc(Br)c2)C1 ZINC000656896783 566177719 /nfs/dbraw/zinc/17/77/19/566177719.db2.gz LZBRLANAAWFYPW-SNVBAGLBSA-N 1 0 381.723 2.723 20 0 GFADRO C[C@H](Cc1cc(Br)ccc1F)NC(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000612974129 566180602 /nfs/dbraw/zinc/18/06/02/566180602.db2.gz DCZPGIXRUZDAEY-ABAIWWIYSA-N 1 0 384.293 2.961 20 0 GFADRO CC(C)(COc1ncc(Cl)cc1Cl)NC(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000612980822 566181440 /nfs/dbraw/zinc/18/14/40/566181440.db2.gz VTOMCMHEWYDQMY-ZDUSSCGKSA-N 1 0 387.311 2.987 20 0 GFADRO Cc1cc(Br)cc(C(=O)N2CCC([N@H+](C)CCCO)CC2)c1C ZINC000613036662 566183594 /nfs/dbraw/zinc/18/35/94/566183594.db2.gz VHZKQGOOQXQBNP-UHFFFAOYSA-N 1 0 383.330 2.985 20 0 GFADRO CC(C)(C)S(=O)(=O)N1CCC([NH2+]Cc2ncccc2C(F)(F)F)CC1 ZINC000683147866 566185713 /nfs/dbraw/zinc/18/57/13/566185713.db2.gz NUWSNLSRRFJIJJ-UHFFFAOYSA-N 1 0 379.448 2.783 20 0 GFADRO C[C@H](NC(=O)C(=O)Nc1cc(Cl)c(F)c(Cl)c1)C1CC[NH+](C)CC1 ZINC000683165622 566186635 /nfs/dbraw/zinc/18/66/35/566186635.db2.gz NWICDYONVJTHNB-VIFPVBQESA-N 1 0 376.259 2.918 20 0 GFADRO Cc1cc(Br)cc(CN2CCC([NH2+]CCO)CC2)c1OC(F)F ZINC000635001633 566188681 /nfs/dbraw/zinc/18/86/81/566188681.db2.gz WZHDZQHALDGCND-UHFFFAOYSA-N 1 0 393.272 2.905 20 0 GFADRO O=C(NCCC[N@@H+]1CCc2ccccc2C1)C(=O)Nc1cscc1Cl ZINC000635027499 566189221 /nfs/dbraw/zinc/18/92/21/566189221.db2.gz DDZFGBRBBSDXAF-UHFFFAOYSA-N 1 0 377.897 2.905 20 0 GFADRO CN(CC(=O)Nc1ccccc1Br)C(=O)C12CCC[NH+](CCC1)C2 ZINC000635106274 566194444 /nfs/dbraw/zinc/19/44/44/566194444.db2.gz KTUPPQLEUUXUTB-UHFFFAOYSA-N 1 0 394.313 2.722 20 0 GFADRO CC[C@@H]1C[N@H+](C)CCCN1S(=O)(=O)Cc1cc(F)ccc1Br ZINC000656980092 566199531 /nfs/dbraw/zinc/19/95/31/566199531.db2.gz VGSDYHJYUUCPPY-CQSZACIVSA-N 1 0 393.322 2.834 20 0 GFADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)c1c(Cl)cccc1Br ZINC000613603684 566203215 /nfs/dbraw/zinc/20/32/15/566203215.db2.gz RMMGVDNMLHHQFO-GFCCVEGCSA-N 1 0 388.737 2.858 20 0 GFADRO C[N@H+](CCCCNS(=O)(=O)Cc1cc(F)ccc1Br)C1CC1 ZINC000657010137 566205357 /nfs/dbraw/zinc/20/53/57/566205357.db2.gz RKPYJWYKFKCYTA-UHFFFAOYSA-N 1 0 393.322 2.882 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@@H](CNS(=O)(=O)c2ccccc2OC(F)(F)F)C1 ZINC000657033628 566208774 /nfs/dbraw/zinc/20/87/74/566208774.db2.gz KPCMNWWATHTGFI-LBPRGKRZSA-N 1 0 380.432 2.984 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@@H](CNS(=O)(=O)c2cccc(Br)c2)C1 ZINC000657033930 566208959 /nfs/dbraw/zinc/20/89/59/566208959.db2.gz MUFZOZJDHGUWOM-LBPRGKRZSA-N 1 0 375.332 2.848 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@H](CNS(=O)(=O)c2cccc(OC(F)(F)F)c2)C1 ZINC000657035714 566210325 /nfs/dbraw/zinc/21/03/25/566210325.db2.gz YPWUKYOWQYLQKC-GFCCVEGCSA-N 1 0 380.432 2.984 20 0 GFADRO C[N@@H+]1CC[C@@H](CC(=O)NC[C@H]2CCN(c3cccc(Br)c3)C2)C1 ZINC000635419051 566212268 /nfs/dbraw/zinc/21/22/68/566212268.db2.gz KJOJHWJLAWNIHU-LSDHHAIUSA-N 1 0 380.330 2.733 20 0 GFADRO C[NH+](C)CC1(C(=O)NC2(c3cccc(Br)c3)CCOCC2)CC1 ZINC000635445668 566213839 /nfs/dbraw/zinc/21/38/39/566213839.db2.gz YMIYUURHRJDQJN-UHFFFAOYSA-N 1 0 381.314 2.913 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000635459258 566214815 /nfs/dbraw/zinc/21/48/15/566214815.db2.gz HRFPXOYLVBVBAS-ZDUSSCGKSA-N 1 0 382.302 2.544 20 0 GFADRO Cc1cc(Br)cc2c1[C@H]([NH2+]CCCN1CCCS1(=O)=O)CC2 ZINC000683817440 566215389 /nfs/dbraw/zinc/21/53/89/566215389.db2.gz HIOBQSFTOLGWOX-OAHLLOKOSA-N 1 0 387.343 2.760 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@@H](NS(=O)(=O)CCc2ccccc2Br)C1 ZINC000657061851 566215938 /nfs/dbraw/zinc/21/59/38/566215938.db2.gz PNKJLDVMHFFFSQ-CQSZACIVSA-N 1 0 389.359 2.784 20 0 GFADRO Cc1ccc(Br)c(S(=O)(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)c1 ZINC000657062321 566215965 /nfs/dbraw/zinc/21/59/65/566215965.db2.gz RJPLTUZYKKORQN-LBPRGKRZSA-N 1 0 375.332 2.909 20 0 GFADRO C[C@H](NC(=O)N1CC[C@@H](n2cc(C[NH3+])nn2)C1)c1ccc(Cl)cc1Cl ZINC000635527898 566218001 /nfs/dbraw/zinc/21/80/01/566218001.db2.gz XSTHJFVRRJUIBY-GXFFZTMASA-N 1 0 383.283 2.761 20 0 GFADRO CCN1CC[NH+](C[C@H](C)CNC(=O)c2cc(F)c(Cl)c(N)c2Cl)CC1 ZINC000635559178 566218504 /nfs/dbraw/zinc/21/85/04/566218504.db2.gz GLYYDEYYXJZUHV-LLVKDONJSA-N 1 0 391.318 2.718 20 0 GFADRO C[C@H]([NH2+][C@H]1CCN(CCN2CCOCC2)C1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000683939747 566219728 /nfs/dbraw/zinc/21/97/28/566219728.db2.gz KNBDBLJNSLCKPO-LUKYLMHMSA-N 1 0 383.989 2.890 20 0 GFADRO Cc1nc(CS(=O)(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cs1 ZINC000684098801 566225674 /nfs/dbraw/zinc/22/56/74/566225674.db2.gz SIJGUMRWFMVLMU-KRWDZBQOSA-N 1 0 379.551 2.783 20 0 GFADRO Cc1nc(CS(=O)(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)cs1 ZINC000684099638 566226698 /nfs/dbraw/zinc/22/66/98/566226698.db2.gz VUOCWUNPMGGJRS-CQSZACIVSA-N 1 0 385.580 2.845 20 0 GFADRO Cc1nc(CS(=O)(=O)NC[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)cs1 ZINC000684106346 566227974 /nfs/dbraw/zinc/22/79/74/566227974.db2.gz SDULDHZXLOEJMY-GOSISDBHSA-N 1 0 379.551 2.926 20 0 GFADRO OC[C@H](C[NH2+][C@H](c1ccc(Br)cc1)[C@H]1CCCO1)[C@H]1CCOC1 ZINC000684611256 566239881 /nfs/dbraw/zinc/23/98/81/566239881.db2.gz AAJRSXNZNBPDFN-CWLKWCNXSA-N 1 0 384.314 2.904 20 0 GFADRO c1[nH]nc([C@H]2CCC[N@@H+](CCc3ccc4c(c3)CCO4)C2)c1CN1CCOCC1 ZINC000275884423 570700420 /nfs/dbraw/zinc/70/04/20/570700420.db2.gz HCVKBSHAVPIZON-FQEVSTJZSA-N 1 0 396.535 2.599 20 0 GFADRO Fc1ccc2c(c1)[nH+]ccc2N1CCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000737667911 598829549 /nfs/dbraw/zinc/82/95/49/598829549.db2.gz RRTNGMXLLPOWDL-UHFFFAOYSA-N 1 0 375.411 2.881 20 0 GFADRO C[C@@H]([NH2+]C1(CNc2ncccc2-c2nn[nH]n2)CCOCC1)c1ccccc1 ZINC000736132955 598831583 /nfs/dbraw/zinc/83/15/83/598831583.db2.gz QGULLDSRAZYJTO-OAHLLOKOSA-N 1 0 379.468 2.574 20 0 GFADRO C[C@]1(c2ccccc2)CCC[N@H+](C[C@@H](O)COc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000736227404 598833101 /nfs/dbraw/zinc/83/31/01/598833101.db2.gz DBYMBUUOXFODMV-KNQAVFIVSA-N 1 0 393.491 2.660 20 0 GFADRO CCS[C@H]1CCCC[N@H+](Cn2c(C)nnc2-c2cccc(-c3nn[nH]n3)c2)C1 ZINC000736663360 598852743 /nfs/dbraw/zinc/85/27/43/598852743.db2.gz FASORSNJEZGMOE-KRWDZBQOSA-N 1 0 398.540 2.999 20 0 GFADRO C[C@@H]([NH2+][C@@H]1CCN(c2ccc(Cl)cc2)C1=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000736129720 598879308 /nfs/dbraw/zinc/87/93/08/598879308.db2.gz FJORCOLSVHOQOO-SJKOYZFVSA-N 1 0 382.855 2.976 20 0 GFADRO OCC[N@H+](Cc1cn2ccccc2c1-c1nn[nH]n1)[C@H]1CCCc2ccccc21 ZINC000738394500 598898057 /nfs/dbraw/zinc/89/80/57/598898057.db2.gz VPCWWRRXFONYPK-IBGZPJMESA-N 1 0 388.475 2.991 20 0 GFADRO C[NH+](C)CCn1ccc2ccc(NC(=O)c3cccc(-c4nn[nH]n4)c3)cc21 ZINC000736771750 598924083 /nfs/dbraw/zinc/92/40/83/598924083.db2.gz QBWYZYOEAOMHTD-UHFFFAOYSA-N 1 0 375.436 2.635 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCN(c2ccc(-c3nn[nH]n3)cc2)C1=O)c1cccc(Cl)c1 ZINC000736134874 598959817 /nfs/dbraw/zinc/95/98/17/598959817.db2.gz VZQXMRIWSFOLIE-YVEFUNNKSA-N 1 0 382.855 2.976 20 0 GFADRO c1ccc2c(c1)nnc(-c1nn[nH]n1)c2NC1CC[NH+](CC2CCCC2)CC1 ZINC000738437585 598964205 /nfs/dbraw/zinc/96/42/05/598964205.db2.gz QQFVRVZBBLZAIL-UHFFFAOYSA-N 1 0 378.484 2.876 20 0 GFADRO CCC[N@H+](CCOc1ccc(-c2nn[nH]n2)cc1OC)C[C@H]1CCCCO1 ZINC000736478473 598985142 /nfs/dbraw/zinc/98/51/42/598985142.db2.gz BEFKJGQPRBKZOK-MRXNPFEDSA-N 1 0 375.473 2.535 20 0 GFADRO CC(C)[C@H](C(=O)OCCCOc1ccc(-c2nn[nH]n2)cc1)[NH+]1CCCCC1 ZINC000735692747 599016790 /nfs/dbraw/zinc/01/67/90/599016790.db2.gz UEKHXSSAUBUBQH-GOSISDBHSA-N 1 0 387.484 2.689 20 0 GFADRO C[C@H](CC[NH+](C)C)NC(=O)c1cccc(COc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000735985952 599032140 /nfs/dbraw/zinc/03/21/40/599032140.db2.gz KBANSALEXGJWQE-OAHLLOKOSA-N 1 0 394.479 2.516 20 0 GFADRO C[C@@H]1C[C@@H](Nc2c(-c3nn[nH]n3)cnc3c(F)ccc(Cl)c32)CC[N@@H+]1C ZINC000820666810 599035678 /nfs/dbraw/zinc/03/56/78/599035678.db2.gz KEYJBRLVYKRUHV-ZJUUUORDSA-N 1 0 375.839 2.524 20 0 GFADRO C[NH+](C)[C@@H](CNc1nc(C(F)(F)F)ccc1-c1nn[nH]n1)Cc1ccccc1 ZINC000736758272 599039029 /nfs/dbraw/zinc/03/90/29/599039029.db2.gz FOYXKEGIAVRQMW-CYBMUJFWSA-N 1 0 391.401 2.865 20 0 GFADRO CCOCCC[N@@H+]1CC[C@@H](Nc2snc(Cl)c2-c2nn[nH]n2)[C@@H](C)C1 ZINC000736614854 599063016 /nfs/dbraw/zinc/06/30/16/599063016.db2.gz IOEAJTHNMZYYLI-WDEREUQCSA-N 1 0 385.925 2.526 20 0 GFADRO NC(=O)[C@@H]([NH2+]CC(c1ccccc1)c1ccccc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000737729680 599087734 /nfs/dbraw/zinc/08/77/34/599087734.db2.gz BJSUJFFMCALNML-NRFANRHFSA-N 1 0 398.470 2.815 20 0 GFADRO CCC[N@H+](C)C[C@H]1CCN(c2c(-c3nn[nH]n3)cnc3c(F)cc(F)cc32)C1 ZINC000821088774 599093394 /nfs/dbraw/zinc/09/33/94/599093394.db2.gz VQGDHNIVIXVLJP-GFCCVEGCSA-N 1 0 387.438 2.861 20 0 GFADRO Cc1cccc2c1ncc(-c1nn[nH]n1)c2NC[C@@H](Cc1ccccc1)[NH+](C)C ZINC000737410295 599122631 /nfs/dbraw/zinc/12/26/31/599122631.db2.gz QZXZOMYOLWUORS-QGZVFWFLSA-N 1 0 387.491 2.730 20 0 GFADRO COc1cccc(CCC[NH+]2CCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)c1 ZINC000737132144 599131622 /nfs/dbraw/zinc/13/16/22/599131622.db2.gz WTOGEUHBLYODFU-UHFFFAOYSA-N 1 0 392.507 2.626 20 0 GFADRO O=C1O[C@@H](C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C2CC2)CN1c1ccccc1 ZINC000738318662 599132730 /nfs/dbraw/zinc/13/27/30/599132730.db2.gz LTVSKDMNVMZSPB-IBGZPJMESA-N 1 0 390.447 2.857 20 0 GFADRO Cc1cccnc1[C@H]([NH2+]CCC(=O)Nc1sccc1-c1nn[nH]n1)C(C)C ZINC000737433498 599134849 /nfs/dbraw/zinc/13/48/49/599134849.db2.gz FZLGNLZOPOYWAZ-OAHLLOKOSA-N 1 0 385.497 2.947 20 0 GFADRO CC[N@H+](CCn1cnc2ccccc2c1=O)[C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000736556540 599233132 /nfs/dbraw/zinc/23/31/32/599233132.db2.gz XSXWXVRPSIBLPQ-HNNXBMFYSA-N 1 0 389.463 2.660 20 0 GFADRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000821596278 599241558 /nfs/dbraw/zinc/24/15/58/599241558.db2.gz FSNFJAMTYSRKBD-KRWDZBQOSA-N 1 0 391.479 2.853 20 0 GFADRO Cc1cc(F)cc2c1ncc(-c1nn[nH]n1)c2NC[C@@H](c1ccco1)[NH+](C)C ZINC000737265154 599256257 /nfs/dbraw/zinc/25/62/57/599256257.db2.gz XZTYDOFAJSJTEK-HNNXBMFYSA-N 1 0 381.415 2.592 20 0 GFADRO Cc1c(NC(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)cccc1-c1nn[nH]n1 ZINC000822096320 607291752 /nfs/dbraw/zinc/29/17/52/607291752.db2.gz KUPMPTAOASEHCB-QGZVFWFLSA-N 1 0 391.479 2.961 20 0 GFADRO Cc1ccc([C@H](CNC(=O)CCc2ccc(-c3nn[nH]n3)cc2)[NH+]2CCCC2)o1 ZINC000737322648 598234013 /nfs/dbraw/zinc/23/40/13/598234013.db2.gz ZXYRDJGFCIXGLA-SFHVURJKSA-N 1 0 394.479 2.654 20 0 GFADRO OC1CC[NH+](Cc2ccc(CNc3cccc(F)c3-c3nn[nH]n3)cc2)CC1 ZINC000738388216 598244384 /nfs/dbraw/zinc/24/43/84/598244384.db2.gz CYVRQWATKKDXGJ-UHFFFAOYSA-N 1 0 382.443 2.575 20 0 GFADRO O=C(C[NH2+]C1(c2ccc(Cl)cc2)CCC1)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000737891964 598248302 /nfs/dbraw/zinc/24/83/02/598248302.db2.gz PAUTUDBIJODRPI-UHFFFAOYSA-N 1 0 396.882 2.805 20 0 GFADRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N(Cc2ccc(-c3nn[nH]n3)cc2)C2CC2)C1 ZINC000735883483 598270565 /nfs/dbraw/zinc/27/05/65/598270565.db2.gz ZMWOJUQQLRHZOJ-KRWDZBQOSA-N 1 0 397.527 2.661 20 0 GFADRO C[C@H]([NH2+]Cc1ccc(-c2nn[nH]n2)cc1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000736135274 598274845 /nfs/dbraw/zinc/27/48/45/598274845.db2.gz OOMJUBFWLQITPS-HNNXBMFYSA-N 1 0 391.479 2.584 20 0 GFADRO C[C@@H]([NH2+]Cc1ccc(-c2nn[nH]n2)cc1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000736135804 598275033 /nfs/dbraw/zinc/27/50/33/598275033.db2.gz PXNOKUJNJPGFEH-RHSMWYFYSA-N 1 0 386.500 2.992 20 0 GFADRO c1nn2cc(C[NH2+]Cc3ccc(OC4CCCC4)cc3)cnc2c1-c1nn[nH]n1 ZINC000738418989 598286617 /nfs/dbraw/zinc/28/66/17/598286617.db2.gz LBHUDNWLNFUYLL-UHFFFAOYSA-N 1 0 390.451 2.521 20 0 GFADRO CCC[NH+]1CCN(c2ccc(Nc3nccnc3-c3nn[nH]n3)cc2Cl)CC1 ZINC000736479201 598346840 /nfs/dbraw/zinc/34/68/40/598346840.db2.gz DHAPGVHROFHKMB-UHFFFAOYSA-N 1 0 399.890 2.586 20 0 GFADRO C[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000736817565 598354119 /nfs/dbraw/zinc/35/41/19/598354119.db2.gz DKKZNMUSSNYFSL-UHFFFAOYSA-N 1 0 386.500 2.946 20 0 GFADRO O=C(CC[N@H+]1CC[C@H](c2ccccc2F)C1)Nc1ccccc1-c1nn[nH]n1 ZINC000737838812 598417989 /nfs/dbraw/zinc/41/79/89/598417989.db2.gz NIHXEMAPBFNHDE-AWEZNQCLSA-N 1 0 380.427 2.824 20 0 GFADRO O=C(CC[N@H+]1CC[C@H](c2ccccc2F)C1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000737838964 598418411 /nfs/dbraw/zinc/41/84/11/598418411.db2.gz PNNKXZMEAINXMM-HNNXBMFYSA-N 1 0 380.427 2.824 20 0 GFADRO S=C(Nc1ccc(-c2nn[nH]n2)c(Cl)c1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000738400577 598435101 /nfs/dbraw/zinc/43/51/01/598435101.db2.gz GUEKSKYWEVTZDK-ZDUSSCGKSA-N 1 0 391.932 2.777 20 0 GFADRO O=C(Nc1ccccc1)C1CC[NH+](CCOc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000738190227 598453985 /nfs/dbraw/zinc/45/39/85/598453985.db2.gz BKSRKRCUAGWGKB-UHFFFAOYSA-N 1 0 392.463 2.596 20 0 GFADRO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)c2sccc2-c2nn[nH]n2)CC1 ZINC000736827658 598454761 /nfs/dbraw/zinc/45/47/61/598454761.db2.gz FYIDAWUMJCCQKX-UHFFFAOYSA-N 1 0 396.520 2.912 20 0 GFADRO Cc1ccc(C(=O)N2CCC([NH2+]Cc3cccc(-c4nn[nH]n4)c3)CC2)cc1 ZINC000737309765 598466759 /nfs/dbraw/zinc/46/67/59/598466759.db2.gz UNMMMXUTQHXAAW-UHFFFAOYSA-N 1 0 376.464 2.570 20 0 GFADRO COc1ccc(Cl)cc1C[NH2+]C1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1 ZINC000737099435 598466774 /nfs/dbraw/zinc/46/67/74/598466774.db2.gz LSZCZGNTUNPNRK-UHFFFAOYSA-N 1 0 399.886 2.682 20 0 GFADRO C[C@H]1CC[C@H](NC(=O)N2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)CC1 ZINC000737196680 598516239 /nfs/dbraw/zinc/51/62/39/598516239.db2.gz XSMMGCKILAHSDC-RUCARUNLSA-N 1 0 397.527 2.663 20 0 GFADRO CC(C)[C@@H]([NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1ccc(Cl)cc1 ZINC000735732508 598519401 /nfs/dbraw/zinc/51/94/01/598519401.db2.gz AJEBFZLJAGLDIR-BLLLJJGKSA-N 1 0 386.891 2.745 20 0 GFADRO CC(C)(C)[C@H]([NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1ccc(F)cc1 ZINC000735589707 598527649 /nfs/dbraw/zinc/52/76/49/598527649.db2.gz NTMMQUFARCHDCE-MLGOLLRUSA-N 1 0 384.463 2.621 20 0 GFADRO CCC[NH+](CCC)CCCNC(=O)Nc1cc(-c2nn[nH]n2)ccc1OC ZINC000736472940 598543105 /nfs/dbraw/zinc/54/31/05/598543105.db2.gz CEXCBFGUXZKLGU-UHFFFAOYSA-N 1 0 375.477 2.509 20 0 GFADRO C[C@H](C(=O)N(CC[NH+](C)C)Cc1cccc(-c2nn[nH]n2)c1)c1ccccc1F ZINC000735514758 598555880 /nfs/dbraw/zinc/55/58/80/598555880.db2.gz VQBBBOVAATYMHZ-HNNXBMFYSA-N 1 0 396.470 2.700 20 0 GFADRO CC[NH+](CC)[C@@H](CNC(=O)[C@H](C)Oc1ccccc1-c1nn[nH]n1)CC(C)C ZINC000736532312 598557388 /nfs/dbraw/zinc/55/73/88/598557388.db2.gz ANTQUAQYNKTGQJ-JKSUJKDBSA-N 1 0 388.516 2.507 20 0 GFADRO CC(=O)N1CCCCC[C@@H]1C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000735466236 598568156 /nfs/dbraw/zinc/56/81/56/598568156.db2.gz SFDJLQYJELGICZ-HXUWFJFHSA-N 1 0 382.512 2.870 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)Nc1ccc(F)c(-c2nn[nH]n2)c1)c1cccc(F)c1 ZINC000736759699 598624330 /nfs/dbraw/zinc/62/43/30/598624330.db2.gz OFZICJSRJWOPFR-MRXNPFEDSA-N 1 0 387.394 2.569 20 0 GFADRO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)Nc1ccc(F)c(-c2nn[nH]n2)c1 ZINC000738103254 598632849 /nfs/dbraw/zinc/63/28/49/598632849.db2.gz GHPDQYPFBPCGIV-UHFFFAOYSA-N 1 0 395.442 2.923 20 0 GFADRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)CSc1ccc(-c2nn[nH]n2)cc1 ZINC000736456635 598667562 /nfs/dbraw/zinc/66/75/62/598667562.db2.gz GAEJAUSRTGLDEY-MRXNPFEDSA-N 1 0 388.541 2.730 20 0 GFADRO O=C(Nc1ccccc1)NC1CC[NH+](Cc2ccc(F)cc2-c2nn[nH]n2)CC1 ZINC000738192628 598683157 /nfs/dbraw/zinc/68/31/57/598683157.db2.gz TWHQRDMPYIYOBY-UHFFFAOYSA-N 1 0 395.442 2.792 20 0 GFADRO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C=Cc2ccccc2-c2nn[nH]n2)C1 ZINC000736402901 598694221 /nfs/dbraw/zinc/69/42/21/598694221.db2.gz PVPPEIBWUKSTSG-PCUGXKRQSA-N 1 0 382.512 2.897 20 0 GFADRO Brc1ccc(N2CC[C@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)cc1 ZINC000735368089 598697534 /nfs/dbraw/zinc/69/75/34/598697534.db2.gz FJBMUCUDYZCBEO-INIZCTEOSA-N 1 0 399.296 2.998 20 0 GFADRO CC[N@H+](CCNC(=O)c1ccc(Oc2ccc(-c3nn[nH]n3)cn2)cc1)C(C)C ZINC000736537867 598720392 /nfs/dbraw/zinc/72/03/92/598720392.db2.gz XRLROOGFCZLSME-UHFFFAOYSA-N 1 0 395.467 2.514 20 0 GFADRO O=C(CC[N@H+]1CCC[C@H]1c1ccc(O)cc1)Nc1ccccc1-c1nn[nH]n1 ZINC000737842885 598761456 /nfs/dbraw/zinc/76/14/56/598761456.db2.gz DQZSCPQEPLOHAH-SFHVURJKSA-N 1 0 378.436 2.738 20 0 GFADRO O=C(CC[NH+]1CCC(c2nccs2)CC1)Nc1ccccc1-c1nn[nH]n1 ZINC000737839547 598761513 /nfs/dbraw/zinc/76/15/13/598761513.db2.gz VBINPIGXACXYKB-UHFFFAOYSA-N 1 0 383.481 2.531 20 0 GFADRO CC[NH+](CC)[C@H](C(=O)N(C)Cc1cccc(-c2nn[nH]n2)c1)c1ccccc1 ZINC000736533427 598808304 /nfs/dbraw/zinc/80/83/04/598808304.db2.gz GQFZUVBZJYJGLR-IBGZPJMESA-N 1 0 378.480 2.908 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1CCNC(=O)Nc1ccc(-c2nn[nH]n2)c(C(F)(F)F)c1 ZINC000820704047 599293403 /nfs/dbraw/zinc/29/34/03/599293403.db2.gz LNCVSKHQAQTUPE-LLVKDONJSA-N 1 0 397.405 2.881 20 0 GFADRO CC[NH+]1CCC(CNC(=O)Nc2ccc(-c3nn[nH]n3)c(C(F)(F)F)c2)CC1 ZINC000821252669 599294828 /nfs/dbraw/zinc/29/48/28/599294828.db2.gz ASXUIZIVJYYUAA-UHFFFAOYSA-N 1 0 397.405 2.739 20 0 GFADRO CCc1cc(N2CCC[C@@H]([NH2+][C@@H](C)c3ccc(-c4nn[nH]n4)cc3)C2)ncn1 ZINC000821471330 599376293 /nfs/dbraw/zinc/37/62/93/599376293.db2.gz ZXJPVEGYODNFMC-KBXCAEBGSA-N 1 0 378.484 2.539 20 0 GFADRO COc1ccc(C)cc1NC(=O)[C@H](C)[NH2+][C@H](C)c1cccc(-c2nn[nH]n2)c1 ZINC000821782696 599387735 /nfs/dbraw/zinc/38/77/35/599387735.db2.gz KZMOGJKDHYWVCS-KGLIPLIRSA-N 1 0 380.452 2.862 20 0 GFADRO C[C@@H]([NH2+][C@@H]1CCN(c2ccc(Cl)cc2)C1=O)c1cccc(-c2nn[nH]n2)c1 ZINC000820420759 599389935 /nfs/dbraw/zinc/38/99/35/599389935.db2.gz WOHSJKNZISFTFC-SJKOYZFVSA-N 1 0 382.855 2.976 20 0 GFADRO C[C@H]([NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1)C(=O)N1CCCc2ccccc21 ZINC000820410756 599391039 /nfs/dbraw/zinc/39/10/39/599391039.db2.gz GMPSMCDCXWCEKX-GJZGRUSLSA-N 1 0 376.464 2.885 20 0 GFADRO COc1ccc(C[NH2+]CC2(c3ccccc3)CCOCC2)cc1-c1nn[nH]n1 ZINC000821810353 599404119 /nfs/dbraw/zinc/40/41/19/599404119.db2.gz ZCOIRIVVGHSSFF-UHFFFAOYSA-N 1 0 379.464 2.713 20 0 GFADRO CC[C@H](C)NC(=O)c1cccc(C[NH2+]Cc2ccc(OC)c(-c3nn[nH]n3)c2)c1 ZINC000820876984 599405381 /nfs/dbraw/zinc/40/53/81/599405381.db2.gz XRHGOBLYBFTEPW-AWEZNQCLSA-N 1 0 394.479 2.693 20 0 GFADRO C[C@@H](NC(=O)NC[C@H](c1ccsc1)[NH+](C)C)c1cccc(-c2nn[nH]n2)c1 ZINC000820357287 599406229 /nfs/dbraw/zinc/40/62/29/599406229.db2.gz FNLJYJRKXIXUJC-MLGOLLRUSA-N 1 0 385.497 2.591 20 0 GFADRO COc1ccc(C[NH2+]C[C@H](O)c2ccccc2C(F)(F)F)cc1-c1nn[nH]n1 ZINC000821809572 599417254 /nfs/dbraw/zinc/41/72/54/599417254.db2.gz PBVPAEZAHJZTKB-HNNXBMFYSA-N 1 0 393.369 2.717 20 0 GFADRO C[C@@H](NC(=O)NC1CC[NH+](CC2CCCC2)CC1)c1cccc(-c2nn[nH]n2)c1 ZINC000820357574 599424346 /nfs/dbraw/zinc/42/43/46/599424346.db2.gz HYHGMAYLKCOCLJ-OAHLLOKOSA-N 1 0 397.527 2.882 20 0 GFADRO CSCC[C@H](C)[N@H+](C)CCC(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000737175408 599448696 /nfs/dbraw/zinc/44/86/96/599448696.db2.gz CUWZGNDYFKMRGR-NSHDSACASA-N 1 0 382.921 2.922 20 0 GFADRO Fc1cc(Br)ccc1C[NH2+]CCOc1ccc(-c2nn[nH]n2)cc1 ZINC000822748455 599453053 /nfs/dbraw/zinc/45/30/53/599453053.db2.gz ZJRCKHHHOJPZTI-UHFFFAOYSA-N 1 0 392.232 2.937 20 0 GFADRO C[C@H]1C[C@H](c2ccc(F)cc2)C[N@@H+]1CC(=O)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000736234761 599477570 /nfs/dbraw/zinc/47/75/70/599477570.db2.gz KIWNBGKPQYLDQG-BBRMVZONSA-N 1 0 380.427 2.822 20 0 GFADRO CC(C)(C)c1ccc([C@H](O)C[NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)cc1 ZINC000735648224 599490338 /nfs/dbraw/zinc/49/03/38/599490338.db2.gz AKQUNSJLDRANHV-GOSISDBHSA-N 1 0 391.479 2.635 20 0 GFADRO O[C@H](C[NH+]1CCC(CNc2ccc(F)cc2-c2nn[nH]n2)CC1)c1ccccc1 ZINC000823672538 599535884 /nfs/dbraw/zinc/53/58/84/599535884.db2.gz FFFKNRYARAMOED-HXUWFJFHSA-N 1 0 396.470 2.863 20 0 GFADRO CCCO[C@@H]1CCC[N@H+](Cc2nnc(-c3cccc(-c4nn[nH]n4)c3)o2)CC1 ZINC000821128297 599574259 /nfs/dbraw/zinc/57/42/59/599574259.db2.gz SWHRSYOUJAAZOG-MRXNPFEDSA-N 1 0 383.456 2.698 20 0 GFADRO COc1cc(-c2nn[nH]n2)ccc1OCC[N@H+](C[C@@H]1CCCO1)C1CCCC1 ZINC000821702380 599580422 /nfs/dbraw/zinc/58/04/22/599580422.db2.gz RKGOFLXCZNFIOE-KRWDZBQOSA-N 1 0 387.484 2.678 20 0 GFADRO CC[C@H](c1ccc(F)cc1)[NH+]1CCN(c2nnc(C)c(C)c2-c2nn[nH]n2)CC1 ZINC000736390819 599581228 /nfs/dbraw/zinc/58/12/28/599581228.db2.gz KIPKEPWCXLAOKX-QGZVFWFLSA-N 1 0 396.474 2.686 20 0 GFADRO Cc1ccccc1[C@H]1C[C@H](C)[N@@H+](CC(=O)NCc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000737423493 599584473 /nfs/dbraw/zinc/58/44/73/599584473.db2.gz VHLWDABVVXEIKZ-LPHOPBHVSA-N 1 0 390.491 2.669 20 0 GFADRO CC[NH+](CC)[C@@H](CNC(=O)N[C@H](C)c1cccc(-c2nn[nH]n2)c1)CC(C)C ZINC000821180724 599667029 /nfs/dbraw/zinc/66/70/29/599667029.db2.gz GHBPSFWHRVVXBY-CRAIPNDOSA-N 1 0 387.532 2.983 20 0 GFADRO C[NH+](C)CCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)NC1CCC(C)(C)CC1 ZINC000821585919 599675756 /nfs/dbraw/zinc/67/57/56/599675756.db2.gz AIVHTELNJMNXAP-UHFFFAOYSA-N 1 0 399.543 2.909 20 0 GFADRO Cc1cc(N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)n2c3ccccc3nc2c1-c1nn[nH]n1 ZINC000822207410 599686763 /nfs/dbraw/zinc/68/67/63/599686763.db2.gz VKKDLGJBZPDEQU-CABCVRRESA-N 1 0 388.479 2.649 20 0 GFADRO C[NH+]1CCC(C(=O)Nc2ccc(Oc3ccc(-c4nn[nH]n4)cc3)cc2)CC1 ZINC000821621697 599698019 /nfs/dbraw/zinc/69/80/19/599698019.db2.gz CFGNTTJVMPQRLH-UHFFFAOYSA-N 1 0 378.436 2.939 20 0 GFADRO C[C@@H]([C@@H]1Cc2ccccc2O1)[N@H+](C)CCC(=O)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000824378128 607472713 /nfs/dbraw/zinc/47/27/13/607472713.db2.gz ZCFCOYJHCVJRIM-LIRRHRJNSA-N 1 0 392.463 2.519 20 0 GFADRO O=C(c1ccccc1F)N1CCC([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)CC1 ZINC000823494011 607474297 /nfs/dbraw/zinc/47/42/97/607474297.db2.gz ZULBFVDLVLDOFS-UHFFFAOYSA-N 1 0 398.417 2.539 20 0 GFADRO C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@@H+]1Cc1cc(-c2nn[nH]n2)ccc1F ZINC000824893939 607474511 /nfs/dbraw/zinc/47/45/11/607474511.db2.gz VVPOOPOANQPXGW-WFASDCNBSA-N 1 0 390.463 2.883 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1sc(C)c(C)c1C(=O)[O-] ZINC000829765353 601036127 /nfs/dbraw/zinc/03/61/27/601036127.db2.gz QMQAUZAEFDMKGE-HNNXBMFYSA-N 1 0 396.557 2.943 20 0 GFADRO CC(C)(C)OC(=O)N1CCC([N@H+](Cc2ccnc(-c3nn[nH]n3)c2)C2CC2)CC1 ZINC000824103718 607518715 /nfs/dbraw/zinc/51/87/15/607518715.db2.gz ILMSHQPQDNCSHD-UHFFFAOYSA-N 1 0 399.499 2.626 20 0 GFADRO COc1ccc(C[N@H+](CCO)[C@@H]2CCCc3ccccc32)cc1-c1nn[nH]n1 ZINC000826194054 607521909 /nfs/dbraw/zinc/52/19/09/607521909.db2.gz YVWSTPVQVVOURJ-LJQANCHMSA-N 1 0 379.464 2.747 20 0 GFADRO CC[NH+](CC)[C@H](C(=O)NCc1ccc(OC)c(-c2nn[nH]n2)c1)c1ccccc1 ZINC000825406365 607608242 /nfs/dbraw/zinc/60/82/42/607608242.db2.gz LYFQYQPQCHDDEX-IBGZPJMESA-N 1 0 394.479 2.575 20 0 GFADRO CC[NH+](CC)Cc1cccc(CNC(=O)c2ccc(-c3nn[nH]n3)cc2C)c1 ZINC000825417403 607664285 /nfs/dbraw/zinc/66/42/85/607664285.db2.gz QUOADJAHWGAOJO-UHFFFAOYSA-N 1 0 378.480 2.947 20 0 GFADRO CC1=C(C(=O)[O-])C[C@H](C[N@@H+](C)CC2CC[NH+](C[C@@H](O)c3ccccc3)CC2)O1 ZINC000833577050 605115038 /nfs/dbraw/zinc/11/50/38/605115038.db2.gz ODNMRLARTJBRLC-TZIWHRDSSA-N 1 0 388.508 2.511 20 0 GFADRO O=C([O-])NC[C@H]1CCCC[C@@H]1[NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1 ZINC000834222680 605623821 /nfs/dbraw/zinc/62/38/21/605623821.db2.gz PFPZONYGLBBSBG-XLIONFOSSA-N 1 0 375.513 2.559 20 0 GFADRO O=C(NCc1cc(-c2nn[nH]n2)ccc1F)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000823234801 606024367 /nfs/dbraw/zinc/02/43/67/606024367.db2.gz OGVYFGMBKNLCIF-IBGZPJMESA-N 1 0 394.454 2.677 20 0 GFADRO c1ccc(C[N@@H+]2CCC[C@]3(CCN(c4ccc(-c5nn[nH]n5)nc4)C3)C2)cc1 ZINC000823780319 606099880 /nfs/dbraw/zinc/09/98/80/606099880.db2.gz QOCSULIDDWBDEC-NRFANRHFSA-N 1 0 375.480 2.754 20 0 GFADRO CC(C)[C@@H](CNc1ccc(C(F)(F)F)cc1-c1nn[nH]n1)[NH+]1CCOCC1 ZINC000820021389 606173914 /nfs/dbraw/zinc/17/39/14/606173914.db2.gz TUHJISSTDZOPHR-OAHLLOKOSA-N 1 0 384.406 2.654 20 0 GFADRO O=C(OCC1CC[NH+](Cc2ccccc2)CC1)c1ccc(-c2nn[nH]n2)s1 ZINC000823401149 606177683 /nfs/dbraw/zinc/17/76/83/606177683.db2.gz QKBWJHCZUKSFSS-UHFFFAOYSA-N 1 0 383.477 2.997 20 0 GFADRO CCOc1ccc([C@H](C)[NH2+][C@@H]2CCN(c3sccc3-c3nn[nH]n3)C2=O)cc1 ZINC000821418264 606297860 /nfs/dbraw/zinc/29/78/60/606297860.db2.gz YIYMDVXNKQVNMI-BLLLJJGKSA-N 1 0 398.492 2.783 20 0 GFADRO C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)Nc2ccc(F)cc2-c2nn[nH]n2)C1 ZINC000821614563 606358758 /nfs/dbraw/zinc/35/87/58/606358758.db2.gz LAUMEMCIUCUVDB-INIZCTEOSA-N 1 0 395.442 2.744 20 0 GFADRO O=C(NC[C@@H]1CCC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2F)C1)c1ccccc1 ZINC000823175302 606379082 /nfs/dbraw/zinc/37/90/82/606379082.db2.gz FFFHCTDPZWHWQA-HNNXBMFYSA-N 1 0 394.454 2.648 20 0 GFADRO CC(C)(C)OC(=O)N1CCC(C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)CC1 ZINC000819933265 606414088 /nfs/dbraw/zinc/41/40/88/606414088.db2.gz LNXMVAYFNJGSCO-UHFFFAOYSA-N 1 0 378.502 2.665 20 0 GFADRO Cc1nnc(N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c(-c2nn[nH]n2)c1C ZINC000822515906 606471138 /nfs/dbraw/zinc/47/11/38/606471138.db2.gz RFJZWJVJGNYCCV-SUMWQHHRSA-N 1 0 378.484 2.596 20 0 GFADRO Cn1cc(C2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3OC(F)F)CC2)cn1 ZINC000822674635 606487839 /nfs/dbraw/zinc/48/78/39/606487839.db2.gz YNAIMXKOADRCPR-UHFFFAOYSA-N 1 0 389.410 2.581 20 0 GFADRO O=C(Nc1cccc(C[NH+]2CCSCC2)c1)c1cc(-c2nn[nH]n2)cs1 ZINC000823363686 606501338 /nfs/dbraw/zinc/50/13/38/606501338.db2.gz LXKSOQDCMZVBKW-UHFFFAOYSA-N 1 0 386.506 2.729 20 0 GFADRO O=C1CC2(CN1)CC[NH+](Cc1ccc(-c3ccccc3-c3nn[nH]n3)cc1)CC2 ZINC000823525803 606507284 /nfs/dbraw/zinc/50/72/84/606507284.db2.gz UEKLJECBTJXALG-UHFFFAOYSA-N 1 0 388.475 2.636 20 0 GFADRO CC[NH+](CC)Cc1ccccc1CNC(=O)Cc1cccc(-c2nn[nH]n2)c1 ZINC000821197830 606519619 /nfs/dbraw/zinc/51/96/19/606519619.db2.gz MDRABJKDSCLNOR-UHFFFAOYSA-N 1 0 378.480 2.567 20 0 GFADRO COc1cc(-c2nn[nH]n2)ccc1OCC[N@H+](CCC(F)(F)F)CC1CC1 ZINC000821702606 606525840 /nfs/dbraw/zinc/52/58/40/606525840.db2.gz ZYNNCKLDKZEBKI-UHFFFAOYSA-N 1 0 385.390 2.919 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)c1cc(-c2nn[nH]n2)cs1)c1ccc(Cl)cc1 ZINC000821579815 606546323 /nfs/dbraw/zinc/54/63/23/606546323.db2.gz OXCXHKWCBCWOTF-ZDUSSCGKSA-N 1 0 376.873 2.614 20 0 GFADRO CC(C)[C@@H](C(=O)OCc1ccc(-c2nn[nH]n2)cc1OC(F)F)[NH+]1CCCC1 ZINC000820016993 606560340 /nfs/dbraw/zinc/56/03/40/606560340.db2.gz SBKDYKZOFPTHIF-HNNXBMFYSA-N 1 0 395.410 2.632 20 0 GFADRO C[C@H](NC(=O)N(CC[NH+](C)C)Cc1cccs1)c1cccc(-c2nn[nH]n2)c1 ZINC000820339846 606587346 /nfs/dbraw/zinc/58/73/46/606587346.db2.gz HCDMYDLABYVCCJ-AWEZNQCLSA-N 1 0 399.524 2.763 20 0 GFADRO Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)n1C[N@@H+]1CCS[C@H]2CCCC[C@@H]21 ZINC000822505728 606592686 /nfs/dbraw/zinc/59/26/86/606592686.db2.gz SYSQBMWITNZGDA-IRXDYDNUSA-N 1 0 396.524 2.751 20 0 GFADRO CC(C)C1CCC([NH+]2CCN(C(=O)c3cccc(-c4nn[nH]n4)c3)CC2)CC1 ZINC000820037611 606605644 /nfs/dbraw/zinc/60/56/44/606605644.db2.gz FWJVEKYKGWQPOQ-UHFFFAOYSA-N 1 0 382.512 2.839 20 0 GFADRO OCC1CC[NH+](Cc2cccc(NCc3cc(-c4nn[nH]n4)cs3)c2)CC1 ZINC000823713037 606657560 /nfs/dbraw/zinc/65/75/60/606657560.db2.gz BVCKAWBGKQZOQV-UHFFFAOYSA-N 1 0 384.509 2.745 20 0 GFADRO C[N@H+](CCCNC(=O)c1c(F)cc(-c2nn[nH]n2)cc1F)C1CCCCC1 ZINC000821599425 606667186 /nfs/dbraw/zinc/66/71/86/606667186.db2.gz TTWMBOFYGMYFFT-UHFFFAOYSA-N 1 0 378.427 2.529 20 0 GFADRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(C(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)C1 ZINC000820684036 606675817 /nfs/dbraw/zinc/67/58/17/606675817.db2.gz LFZPBXNYTRLGMD-YRGRVCCFSA-N 1 0 390.438 2.622 20 0 GFADRO C[C@@H](C(=O)Nc1ccccc1-c1nn[nH]n1)[N@@H+]1CC[C@H](c2ccc(F)cc2)C1 ZINC000819877371 606713845 /nfs/dbraw/zinc/71/38/45/606713845.db2.gz UTNHQZNLLSZKBE-ZFWWWQNUSA-N 1 0 380.427 2.822 20 0 GFADRO CCN1C[C@H]([NH2+]Cc2cccc(OCc3cccc(-c4nn[nH]n4)c3)c2)[C@@H](C)C1 ZINC000821242323 606732689 /nfs/dbraw/zinc/73/26/89/606732689.db2.gz RHYLNJKNCWYCHZ-KKSFZXQISA-N 1 0 392.507 2.876 20 0 GFADRO CC(C)(C)OC(=O)C[C@H]1CCC[N@H+](CCOc2ccccc2-c2nn[nH]n2)C1 ZINC000819927903 606753099 /nfs/dbraw/zinc/75/30/99/606753099.db2.gz ADNYITVUVDUSJX-OAHLLOKOSA-N 1 0 387.484 2.689 20 0 GFADRO CC(C)(C)OC(=O)C[C@@H]1CCC[N@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC000819928231 606753386 /nfs/dbraw/zinc/75/33/86/606753386.db2.gz LITSJZWFNDETGE-ZDUSSCGKSA-N 1 0 375.448 2.950 20 0 GFADRO Cc1cc(F)cc2c1ncc(-c1nn[nH]n1)c2NC[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000822204742 606809452 /nfs/dbraw/zinc/80/94/52/606809452.db2.gz ZHPRDZTWAHOALW-AWEZNQCLSA-N 1 0 383.475 2.674 20 0 GFADRO COCCCC[N@@H+](Cc1ccccc1)C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821687253 606857952 /nfs/dbraw/zinc/85/79/52/606857952.db2.gz VXFHUDZILSHTAT-HXUWFJFHSA-N 1 0 381.480 2.829 20 0 GFADRO O=C(C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)Nc1cc(Cl)ccc1Cl ZINC000823005510 606859464 /nfs/dbraw/zinc/85/94/64/606859464.db2.gz UUGVMJQFNVAYOT-UHFFFAOYSA-N 1 0 377.235 2.902 20 0 GFADRO C[NH+](C)CCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)N[C@@H]1CCCCC1(C)C ZINC000821586391 606874261 /nfs/dbraw/zinc/87/42/61/606874261.db2.gz VUVXVBBKHNNMEF-GOSISDBHSA-N 1 0 399.543 2.909 20 0 GFADRO O[C@@H](C[N@@H+](Cc1ccccc1)CC1CCOCC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823672131 606898072 /nfs/dbraw/zinc/89/80/72/606898072.db2.gz BDGDOYVARHPVQR-NRFANRHFSA-N 1 0 393.491 2.829 20 0 GFADRO CC1CCC([N@H+](C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)C[C@@H]2CCCO2)CC1 ZINC000820690667 606902239 /nfs/dbraw/zinc/90/22/39/606902239.db2.gz PUPFXGGJODCIEJ-YIGDWTTGSA-N 1 0 385.512 2.960 20 0 GFADRO CCO[C@@H]1C[C@@H]([N@H+](C)C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)C12CCCCC2 ZINC000821358227 606903087 /nfs/dbraw/zinc/90/30/87/606903087.db2.gz ILGKRNCURXPMQC-IPMKNSEASA-N 1 0 385.512 2.960 20 0 GFADRO O[C@@H](C[C@H]1CCC[N@@H+]1C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1)c1cccs1 ZINC000823682834 606910009 /nfs/dbraw/zinc/91/00/09/606910009.db2.gz VIDPJBSTGWLMNB-IXDOHACOSA-N 1 0 385.493 2.550 20 0 GFADRO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1cc(-c2nn[nH]n2)ccc1OC(C)C ZINC000820993714 606915939 /nfs/dbraw/zinc/91/59/39/606915939.db2.gz ARITUQKIFMAZFU-HZPDHXFCSA-N 1 0 399.499 2.744 20 0 GFADRO Fc1cc(C[NH2+]CCOc2ccc(-c3nn[nH]n3)cc2)ccc1Br ZINC000822747959 606916017 /nfs/dbraw/zinc/91/60/17/606916017.db2.gz ABGDXIUJCFLQDK-UHFFFAOYSA-N 1 0 392.232 2.937 20 0 GFADRO CC(C)C[N@@H+]1CCO[C@@H](CNc2ccc(C(F)(F)F)cc2-c2nn[nH]n2)C1 ZINC000820092491 606916786 /nfs/dbraw/zinc/91/67/86/606916786.db2.gz MRMCVLNOBNDPPW-ZDUSSCGKSA-N 1 0 384.406 2.654 20 0 GFADRO CCO[C@@H]1C[C@@H]([N@H+](C)CCC(=O)Nc2sccc2-c2nn[nH]n2)C12CCC2 ZINC000821360483 606917368 /nfs/dbraw/zinc/91/73/68/606917368.db2.gz ROOZBRMGCYFSRW-ZIAGYGMSSA-N 1 0 390.513 2.536 20 0 GFADRO CC(C)[C@H](CNc1ccc(C(F)(F)F)cc1-c1nn[nH]n1)[NH+]1CCN(C)CC1 ZINC000820021782 606918359 /nfs/dbraw/zinc/91/83/59/606918359.db2.gz YOQAYDBWPUKEOU-INIZCTEOSA-N 1 0 397.449 2.569 20 0 GFADRO CCc1nnc(NC[C@H](c2ccco2)[NH+](CC)CC)c(-c2nn[nH]n2)c1CC ZINC000821536426 606924462 /nfs/dbraw/zinc/92/44/62/606924462.db2.gz UOJOYEDREGNSFJ-OAHLLOKOSA-N 1 0 384.488 2.870 20 0 GFADRO FC(F)(F)c1ccc(NC2CC[NH+](C[C@H]3CCOC3)CC2)c(-c2nn[nH]n2)c1 ZINC000822724004 606937753 /nfs/dbraw/zinc/93/77/53/606937753.db2.gz WGXNJQUNQVHLSG-GFCCVEGCSA-N 1 0 396.417 2.798 20 0 GFADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)Nc1cc(-c2nn[nH]n2)ccc1OC(C)C ZINC000820902467 606952971 /nfs/dbraw/zinc/95/29/71/606952971.db2.gz LKKYRTLITCUYBO-HNNXBMFYSA-N 1 0 387.488 2.650 20 0 GFADRO CN(C(=O)OC(C)(C)C)C1CC[NH+](Cc2ccc(F)c(-c3nn[nH]n3)c2)CC1 ZINC000821572265 606969435 /nfs/dbraw/zinc/96/94/35/606969435.db2.gz XWKXDUZREQJSBE-UHFFFAOYSA-N 1 0 390.463 2.837 20 0 GFADRO CN(C[C@H]1CCC[N@@H+]1Cc1ccc(F)c(-c2nn[nH]n2)c1)C(=O)OC(C)(C)C ZINC000821596401 606977304 /nfs/dbraw/zinc/97/73/04/606977304.db2.gz IYKGEVWUGAWHFM-CQSZACIVSA-N 1 0 390.463 2.837 20 0 GFADRO C[C@H](CCc1cccc(F)c1)[NH2+]C1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1 ZINC000820253541 607045741 /nfs/dbraw/zinc/04/57/41/607045741.db2.gz JNQLEWHMDAQVBU-OAHLLOKOSA-N 1 0 395.486 2.981 20 0 GFADRO COc1ccc([C@@H](C)[NH2+]C2CCN(c3ccc(-c4nn[nH]n4)cn3)CC2)cc1 ZINC000821778425 607048146 /nfs/dbraw/zinc/04/81/46/607048146.db2.gz ZXDGYJIPKLMADX-CQSZACIVSA-N 1 0 379.468 2.590 20 0 GFADRO O=C(Nc1ccc(O)cc1)C1CC[NH+](Cc2cc(F)ccc2-c2nn[nH]n2)CC1 ZINC000823350425 607061442 /nfs/dbraw/zinc/06/14/42/607061442.db2.gz MOJXGUBKCMZBGH-UHFFFAOYSA-N 1 0 396.426 2.562 20 0 GFADRO O=C(CC1CC[NH+](Cc2cc(F)ccc2-c2nn[nH]n2)CC1)NC1CCCC1 ZINC000822946425 607061494 /nfs/dbraw/zinc/06/14/94/607061494.db2.gz XOHJJBRZXWINII-UHFFFAOYSA-N 1 0 386.475 2.667 20 0 GFADRO Cc1cccc([C@@H]2CCC[N@@H+]2CCC(=O)Nc2sccc2-c2nn[nH]n2)n1 ZINC000822299289 607074890 /nfs/dbraw/zinc/07/48/90/607074890.db2.gz DOJOQPITOOIMIM-HNNXBMFYSA-N 1 0 383.481 2.797 20 0 GFADRO CCC1(CC)[C@@H](OC)C[C@@H]1[N@H+](C)Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)o1 ZINC000820958747 607107057 /nfs/dbraw/zinc/10/70/57/607107057.db2.gz YMOHLCYZDIEVDM-HOTGVXAUSA-N 1 0 397.483 2.942 20 0 GFADRO O=C(Nc1ccc(-c2nn[nH]n2)cc1Cl)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000823314548 607195329 /nfs/dbraw/zinc/19/53/29/607195329.db2.gz PPLDPQIRVZHOJR-CYBMUJFWSA-N 1 0 375.864 2.612 20 0 GFADRO CC[NH+](CC)[C@@H](CNC(=O)c1ncc(-c2nn[nH]n2)cc1Cl)c1ccccc1 ZINC000821180744 607231290 /nfs/dbraw/zinc/23/12/90/607231290.db2.gz GXBXYFXVFZUALL-INIZCTEOSA-N 1 0 399.886 2.728 20 0 GFADRO O=S(=O)(CC[NH2+]Cc1cc2ccccc2s1)c1cccc(-c2nn[nH]n2)c1 ZINC000826485469 607815859 /nfs/dbraw/zinc/81/58/59/607815859.db2.gz RPABEJXPMDZYLH-UHFFFAOYSA-N 1 0 399.501 2.645 20 0 GFADRO CC[N@H+](CCc1nccs1)Cn1ccc(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000825428493 607817580 /nfs/dbraw/zinc/81/75/80/607817580.db2.gz OUQCNLOBJKDCTI-UHFFFAOYSA-N 1 0 380.481 2.709 20 0 GFADRO CC(C)[N@H+](CCC(=O)Nc1ccc(-c2nn[nH]n2)cc1)CCc1nccs1 ZINC000824288723 607831219 /nfs/dbraw/zinc/83/12/19/607831219.db2.gz LISLYIZFHZNQTI-UHFFFAOYSA-N 1 0 385.497 2.605 20 0 GFADRO COc1ccc([C@@](C)(O)[C@@H]2CCC[N@@H+]2Cc2cc(-c3nn[nH]n3)ccc2F)cc1 ZINC000826188083 608064702 /nfs/dbraw/zinc/06/47/02/608064702.db2.gz NCYXOIGIXXKIKU-PZJWPPBQSA-N 1 0 397.454 2.887 20 0 GFADRO COc1ccccc1OC[C@H](C)C[NH2+]Cc1ccc(OC)c(-c2nn[nH]n2)c1 ZINC000826220430 608113409 /nfs/dbraw/zinc/11/34/09/608113409.db2.gz NLHMXRAQXXJREZ-CQSZACIVSA-N 1 0 383.452 2.689 20 0 GFADRO Fc1cccc(O[C@@H]2CC[N@H+](Cc3cn4ccccc4c3-c3nn[nH]n3)C2)c1 ZINC000826377158 608128902 /nfs/dbraw/zinc/12/89/02/608128902.db2.gz HEUCYPSGBFSSQL-QGZVFWFLSA-N 1 0 378.411 2.912 20 0 GFADRO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3-c3nn[nH]n3)C[C@H]21 ZINC000824109900 608129659 /nfs/dbraw/zinc/12/96/59/608129659.db2.gz YOKPNYNUTSWVHE-KBAYOESNSA-N 1 0 398.511 2.992 20 0 GFADRO Cc1cc(C)cc([C@@H]2CC[N@H+](CC(=O)Nc3cccc(-c4nn[nH]n4)c3)C2)c1 ZINC000826264622 608129737 /nfs/dbraw/zinc/12/97/37/608129737.db2.gz UQLZYJAWMUSQQM-QGZVFWFLSA-N 1 0 376.464 2.912 20 0 GFADRO CC[N@H+](C[C@H](O)c1ccc(C)cc1)[C@H](C)C(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000825398876 608157784 /nfs/dbraw/zinc/15/77/84/608157784.db2.gz ACSWQUWPSGIJAM-BEFAXECRSA-N 1 0 394.479 2.558 20 0 GFADRO CCC[C@H](C(=O)NCc1cccc(-c2ccc(-c3nn[nH]n3)s2)c1)[NH+](C)C ZINC000825224953 608164833 /nfs/dbraw/zinc/16/48/33/608164833.db2.gz HXJDJGGKSKNCMD-OAHLLOKOSA-N 1 0 384.509 2.942 20 0 GFADRO CC[N@@H+]1C[C@@H](C)N(C(=S)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)C[C@@H]1C ZINC000825444291 608227317 /nfs/dbraw/zinc/22/73/17/608227317.db2.gz LGIYLOQIOOZTIR-WDEREUQCSA-N 1 0 379.921 2.631 20 0 GFADRO C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1C(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000824976052 608266070 /nfs/dbraw/zinc/26/60/70/608266070.db2.gz MFMAVQVQFQROOC-HZPDHXFCSA-N 1 0 391.479 2.993 20 0 GFADRO Cc1cccc(NC(=O)C[C@H](C)[NH2+]CCOc2ccc(-c3nn[nH]n3)cc2)c1C ZINC000826299244 608281619 /nfs/dbraw/zinc/28/16/19/608281619.db2.gz WZWNDLVSCWVKKA-HNNXBMFYSA-N 1 0 394.479 2.869 20 0 GFADRO Cc1ccccc1NC(=O)C[C@H](C)[NH2+]CCOc1ccc(-c2nn[nH]n2)cc1 ZINC000826307808 608281851 /nfs/dbraw/zinc/28/18/51/608281851.db2.gz XISBBJBRMHQXCC-HNNXBMFYSA-N 1 0 380.452 2.561 20 0 GFADRO CCOc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(OC)c(-c3nn[nH]n3)c1)CCO2 ZINC000825643321 608285997 /nfs/dbraw/zinc/28/59/97/608285997.db2.gz MGBQFPRDMWJQNO-QGZVFWFLSA-N 1 0 381.436 2.887 20 0 GFADRO COCc1cc([C@H](C)[NH2+]Cc2ccc(OC)c(-c3nn[nH]n3)c2)ccc1OC ZINC000826164301 608286589 /nfs/dbraw/zinc/28/65/89/608286589.db2.gz PMYZLEZEEZCBIX-ZDUSSCGKSA-N 1 0 383.452 2.881 20 0 GFADRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)N2CC=C(c3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC000825855582 608426690 /nfs/dbraw/zinc/42/66/90/608426690.db2.gz HVOVOLNJSOAXRK-OALUTQOASA-N 1 0 395.511 2.538 20 0 GFADRO COc1ccc([C@H](C)[NH2+]CC(=O)Nc2sc(C)c(C)c2-c2nn[nH]n2)cc1 ZINC000826188203 608431923 /nfs/dbraw/zinc/43/19/23/608431923.db2.gz QFYGADBVNQWEJV-NSHDSACASA-N 1 0 386.481 2.843 20 0 GFADRO CCN(Cc1cccc(F)c1)C(=O)C[NH2+][C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000825435070 608462767 /nfs/dbraw/zinc/46/27/67/608462767.db2.gz LFIDJECTYBMKLW-CQSZACIVSA-N 1 0 382.443 2.705 20 0 GFADRO CCc1ccc([C@@H](C)NC(=O)C[NH2+][C@@H](C)c2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000825704652 608467831 /nfs/dbraw/zinc/46/78/31/608467831.db2.gz LXIWRADOEAPYFU-LSDHHAIUSA-N 1 0 378.480 2.957 20 0 GFADRO C[C@@H]([NH2+]Cc1cccc(-c2nn[nH]n2)c1F)c1ccc(N2CCCC2=O)cc1 ZINC000824619761 608475915 /nfs/dbraw/zinc/47/59/15/608475915.db2.gz ZWZOYTUBOVLNMP-CYBMUJFWSA-N 1 0 380.427 2.983 20 0 GFADRO CCCOc1ccc(CNC(=O)C[NH2+][C@@H](C)c2cccc(-c3nn[nH]n3)c2)cc1 ZINC000825338539 608487548 /nfs/dbraw/zinc/48/75/48/608487548.db2.gz BYPUUNAHVDPUIW-HNNXBMFYSA-N 1 0 394.479 2.623 20 0 GFADRO CC(=O)c1ccccc1NC(=O)[C@H](C)[NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1 ZINC000824029865 608493447 /nfs/dbraw/zinc/49/34/47/608493447.db2.gz RWUBRPXBMMGWTD-STQMWFEESA-N 1 0 378.436 2.747 20 0 GFADRO c1cc2c(cc1CC[NH2+][C@H]1CCCc3cc(-c4nn[nH]n4)ccc31)OCCO2 ZINC000826518690 608497888 /nfs/dbraw/zinc/49/78/88/608497888.db2.gz VFCNQDXZXZPXSQ-SFHVURJKSA-N 1 0 377.448 2.848 20 0 GFADRO c1ncn(Cc2ccccc2C[NH2+][C@H]2CCCc3cc(-c4nn[nH]n4)ccc32)n1 ZINC000826521850 608501078 /nfs/dbraw/zinc/50/10/78/608501078.db2.gz AXTFFTNOYIGELS-FQEVSTJZSA-N 1 0 386.463 2.674 20 0 GFADRO CC(C)CC(=O)N1CCC([NH2+][C@@H]2CCCc3cc(-c4nn[nH]n4)ccc32)CC1 ZINC000824228802 608504585 /nfs/dbraw/zinc/50/45/85/608504585.db2.gz LGQKHIOWKBAZSW-LJQANCHMSA-N 1 0 382.512 2.871 20 0 GFADRO c1c2ccccc2sc1C[NH+]1CCN(c2cc(-c3nn[nH]n3)ccn2)CC1 ZINC000826524073 608512474 /nfs/dbraw/zinc/51/24/74/608512474.db2.gz IMDHFGUHSCIXPI-UHFFFAOYSA-N 1 0 377.477 2.799 20 0 GFADRO O=C1[C@@H]([NH2+][C@@H]2CCCc3cc(-c4nn[nH]n4)ccc32)CCN1Cc1ccccc1 ZINC000826476855 608520622 /nfs/dbraw/zinc/52/06/22/608520622.db2.gz QNYDZBFQVXMXPH-UXHICEINSA-N 1 0 388.475 2.635 20 0 GFADRO C[N@H+](Cc1cnc2ccc(Br)cn12)Cc1cccc(-c2nn[nH]n2)c1 ZINC000825975996 608521982 /nfs/dbraw/zinc/52/19/82/608521982.db2.gz DIJJRUISFOOCJF-UHFFFAOYSA-N 1 0 398.268 2.909 20 0 GFADRO Cc1cc(C)cc(OC[C@H](O)C[NH2+]C2(c3cccc(-c4nn[nH]n4)c3)CC2)c1 ZINC000826264739 608531056 /nfs/dbraw/zinc/53/10/56/608531056.db2.gz YUWZJNBGWZLZHL-GOSISDBHSA-N 1 0 379.464 2.502 20 0 GFADRO c1ccc2c(c1)OCC[C@H]2C[N@@H+]1CCCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000826524554 608585901 /nfs/dbraw/zinc/58/59/01/608585901.db2.gz ZFFZRNDCEHWTCP-KRWDZBQOSA-N 1 0 390.491 2.945 20 0 GFADRO Fc1c(C[NH+]2CCC(OC[C@H]3CCCCO3)CC2)cccc1-c1nn[nH]n1 ZINC000826370725 608652055 /nfs/dbraw/zinc/65/20/55/608652055.db2.gz FSYNPUBFIKVFKZ-MRXNPFEDSA-N 1 0 375.448 2.556 20 0 GFADRO O=C(NC[C@@H]1CCCC[N@@H+]1Cc1cc(-c2nn[nH]n2)cs1)c1ccccc1 ZINC000826434428 608661224 /nfs/dbraw/zinc/66/12/24/608661224.db2.gz MIRXYEDJTRPUFM-INIZCTEOSA-N 1 0 382.493 2.713 20 0 GFADRO C[NH+](C)[C@H]1CCCN(Cc2cccc(OCc3ccccc3-c3nn[nH]n3)c2)C1 ZINC000825856570 608674517 /nfs/dbraw/zinc/67/45/17/608674517.db2.gz XIVMFMSBKCZKSS-IBGZPJMESA-N 1 0 392.507 2.972 20 0 GFADRO COCC[N@H+](CCCOc1ccc(F)cc1)Cc1ccc(-c2nn[nH]n2)s1 ZINC000826158108 608691285 /nfs/dbraw/zinc/69/12/85/608691285.db2.gz ALEFRNZCRUVTKD-UHFFFAOYSA-N 1 0 391.472 2.985 20 0 GFADRO CC(C)C[C@@H]([NH2+]Cc1ccc(-c2nn[nH]n2)s1)C(=O)Nc1nccs1 ZINC000824236414 608758524 /nfs/dbraw/zinc/75/85/24/608758524.db2.gz NLDUBGPWFSWLFE-LLVKDONJSA-N 1 0 377.499 2.528 20 0 GFADRO COc1cc(C[N@H+]2CC=C(c3ccc(-c4nn[nH]n4)cc3)CC2)cc2c1OCO2 ZINC000826179691 608856831 /nfs/dbraw/zinc/85/68/31/608856831.db2.gz ZYWZXSATVOEVIY-UHFFFAOYSA-N 1 0 391.431 2.893 20 0 GFADRO C[C@H]([NH2+][C@@H](CNC(=O)OC(C)(C)C)C1CC1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824530225 609145310 /nfs/dbraw/zinc/14/53/10/609145310.db2.gz KCKSQWOWOHGRMY-ZBEGNZNMSA-N 1 0 390.463 2.960 20 0 GFADRO C[C@H](Cc1ccsc1)[NH2+][C@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000824466340 609169058 /nfs/dbraw/zinc/16/90/58/609169058.db2.gz WKKDEWKDOUUGPU-DYVFJYSZSA-N 1 0 382.493 2.644 20 0 GFADRO CC[C@@H]1C[C@H](C[NH+]2CCC(C(=O)Nc3cccc(-c4nn[nH]n4)c3)CC2)CCO1 ZINC000825184042 609172278 /nfs/dbraw/zinc/17/22/78/609172278.db2.gz QNALPZNFSOYVPV-DNVCBOLYSA-N 1 0 398.511 2.722 20 0 GFADRO O=C(NCc1cccc(C[NH+]2CCCCCC2)c1)c1c[nH]c(-c2nn[nH]n2)c1 ZINC000826442722 609204466 /nfs/dbraw/zinc/20/44/66/609204466.db2.gz IGDJSJURVFYURL-UHFFFAOYSA-N 1 0 379.468 2.501 20 0 GFADRO C[C@@H](CC(=O)N(C)c1ccccc1)[NH2+]C1(c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000824385690 609249452 /nfs/dbraw/zinc/24/94/52/609249452.db2.gz ZCLSNKGEVSLCBA-HNNXBMFYSA-N 1 0 376.464 2.887 20 0 GFADRO C[C@H]([NH2+][C@@H](C)c1ccc(-c2nn[nH]n2)cc1F)c1ccc(-n2cncn2)cc1 ZINC000824531674 609323034 /nfs/dbraw/zinc/32/30/34/609323034.db2.gz QBJZQJKEWKKKKO-STQMWFEESA-N 1 0 378.415 2.998 20 0 GFADRO CC[N@H+]1C[C@H](NC(=O)c2ccccc2Oc2ccccc2-c2nn[nH]n2)[C@@H](C)C1 ZINC000825443482 609327842 /nfs/dbraw/zinc/32/78/42/609327842.db2.gz CNEXWCNJJZQWEX-YOEHRIQHSA-N 1 0 392.463 2.729 20 0 GFADRO Cn1cc(C[NH2+]CCc2ccc(F)cc2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826361784 609335752 /nfs/dbraw/zinc/33/57/52/609335752.db2.gz OPSVLKSKJGLUQW-UHFFFAOYSA-N 1 0 377.427 2.739 20 0 GFADRO C[C@@H](CCO)C1(C[NH2+]Cc2cn(C)nc2-c2ccc(-c3nn[nH]n3)cc2)CCC1 ZINC000824406974 609343900 /nfs/dbraw/zinc/34/39/00/609343900.db2.gz UCWXFAJLTSARJF-HNNXBMFYSA-N 1 0 395.511 2.546 20 0 GFADRO CN(CC[C@H]1CCCC[N@@H+]1C)Cc1ccc(-c2nn[nH]n2)cc1Br ZINC000825918230 609361823 /nfs/dbraw/zinc/36/18/23/609361823.db2.gz BLQNMKHJOKUFLI-OAHLLOKOSA-N 1 0 393.333 2.935 20 0 GFADRO CC(C)CO[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2Br)C1 ZINC000824266904 609363234 /nfs/dbraw/zinc/36/32/34/609363234.db2.gz STZLKGJPNBPSLV-AWEZNQCLSA-N 1 0 380.290 2.876 20 0 GFADRO NC(=O)[C@H](c1ccc(-c2nn[nH]n2)cc1)[N@@H+]1CCC[C@@H](c2ccc(F)cc2)CC1 ZINC000826389052 609379924 /nfs/dbraw/zinc/37/99/24/609379924.db2.gz OYQKFNXPMBRVFW-KUHUBIRLSA-N 1 0 394.454 2.802 20 0 GFADRO C[C@H](CC[NH+](C)C)NC(=O)c1ccccc1Oc1ccccc1-c1nn[nH]n1 ZINC000824401231 609382924 /nfs/dbraw/zinc/38/29/24/609382924.db2.gz OFWCQHNEFDHORB-CQSZACIVSA-N 1 0 380.452 2.729 20 0 GFADRO CC(C)N(CC[NH+](C)C)C(=O)Nc1ccc(-c2nn[nH]n2)c(C(F)(F)F)c1 ZINC000824288454 609405789 /nfs/dbraw/zinc/40/57/89/609405789.db2.gz HCOIYIFYXUKUAX-UHFFFAOYSA-N 1 0 385.394 2.689 20 0 GFADRO COc1cc(C)c(C[NH+]2CCC(Oc3ccc(-c4nn[nH]n4)cc3)CC2)c(C)n1 ZINC000826178488 609408550 /nfs/dbraw/zinc/40/85/50/609408550.db2.gz ZVDDHJNAFTXLPI-UHFFFAOYSA-N 1 0 394.479 2.931 20 0 GFADRO C[C@@H]([NH2+][C@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O)c1ccc(F)c(F)c1 ZINC000824548409 609412694 /nfs/dbraw/zinc/41/26/94/609412694.db2.gz XDILGIQOCLBFRU-XIKOKIGWSA-N 1 0 398.417 2.991 20 0 GFADRO C[C@@H]([NH2+][C@@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O)c1ccc(F)c(F)c1 ZINC000824548407 609412744 /nfs/dbraw/zinc/41/27/44/609412744.db2.gz XDILGIQOCLBFRU-KZULUSFZSA-N 1 0 398.417 2.991 20 0 GFADRO c1csc([C@@H](CNc2nc3ccccn3c2-c2nn[nH]n2)[NH+]2CCCC2)c1 ZINC000826526235 609458527 /nfs/dbraw/zinc/45/85/27/609458527.db2.gz QBHDBOCWTQBZKV-CYBMUJFWSA-N 1 0 380.481 2.825 20 0 GFADRO Cc1c(Cl)cnc(NCc2ccccc2OCC[NH+](C)C)c1-c1nn[nH]n1 ZINC000826240364 609541922 /nfs/dbraw/zinc/54/19/22/609541922.db2.gz OZSVUGYMLYPRFT-UHFFFAOYSA-N 1 0 387.875 2.776 20 0 GFADRO Cc1c(Cl)cnc(NCCCC[NH+]2C[C@@H](C)O[C@H](C)C2)c1-c1nn[nH]n1 ZINC000826239525 609574141 /nfs/dbraw/zinc/57/41/41/609574141.db2.gz JXZSWHNYQDFRHV-VXGBXAGGSA-N 1 0 379.896 2.525 20 0 GFADRO c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H](Nc4cnccc4-c4nn[nH]n4)[C@H]3C2)cc1 ZINC000826521517 609595515 /nfs/dbraw/zinc/59/55/15/609595515.db2.gz PVUIUOGLGQFSIO-WDSOQIARSA-N 1 0 375.480 2.974 20 0 GFADRO CCc1[nH]nc(NC(=O)[C@@H]2CCC[N@H+](Cc3cccnc3)C2)c1Br ZINC000531119778 650735219 /nfs/dbraw/zinc/73/52/19/650735219.db2.gz ZEQUFJXLAJUGFM-CYBMUJFWSA-N 1 0 392.301 2.980 20 0 GFADRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)Nc1cc2c(cc1Br)OCCO2 ZINC000817299444 660189554 /nfs/dbraw/zinc/18/95/54/660189554.db2.gz YFHBQPRLWQQLJJ-NSHDSACASA-N 1 0 384.274 2.778 20 0 GFADRO CN(C)C(=O)[C@@H]1CC[C@H](C[NH2+][C@H](c2nc(Br)cs2)C2CC2)O1 ZINC000817580494 660201536 /nfs/dbraw/zinc/20/15/36/660201536.db2.gz LFDPKOBVQSZRKZ-MDZLAQPJSA-N 1 0 388.331 2.582 20 0 GFADRO COc1cc(/C=C/C(=O)N(C)C[C@@H]2CCC[N@@H+]2C)cc(Br)c1O ZINC000817675855 660205081 /nfs/dbraw/zinc/20/50/81/660205081.db2.gz CLUKAJNSWVWJGV-YBJDMEARSA-N 1 0 383.286 2.729 20 0 GFADRO CCS(=O)(=O)c1ccc(Cl)c(C(=O)N2C[C@H]([NH3+])Cc3ccccc32)c1 ZINC000818019873 660213958 /nfs/dbraw/zinc/21/39/58/660213958.db2.gz ZPICQERIAUDUAR-CYBMUJFWSA-N 1 0 378.881 2.664 20 0 GFADRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)c3cn(C(C)(C)C)nc3Br)C2)C1 ZINC000818177302 660218679 /nfs/dbraw/zinc/21/86/79/660218679.db2.gz MOWIKONQFYSECG-QGZVFWFLSA-N 1 0 383.334 2.959 20 0 GFADRO [NH3+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)Cc1ccc(I)cc1 ZINC000818473999 660226891 /nfs/dbraw/zinc/22/68/91/660226891.db2.gz ODQOAZNQTSACFR-GOOCMWNKSA-N 1 0 384.261 2.705 20 0 GFADRO CC(C)C[C@](C)(C[NH3+])NC(=O)c1cn(-c2ccccc2Br)nn1 ZINC000818519415 660227799 /nfs/dbraw/zinc/22/77/99/660227799.db2.gz UXGLPSJQOHGBBR-MRXNPFEDSA-N 1 0 380.290 2.523 20 0 GFADRO COc1cc(C(=O)NCc2ccc(CC[NH3+])cc2)cc(Br)c1OC ZINC000818535957 660228080 /nfs/dbraw/zinc/22/80/80/660228080.db2.gz MCEYOCAQFJELOG-UHFFFAOYSA-N 1 0 393.281 2.898 20 0 GFADRO C/C(=C/C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccccc1Cl ZINC000818594561 660229444 /nfs/dbraw/zinc/22/94/44/660229444.db2.gz QTKGLJGQHMVSLV-WQTVUKCASA-N 1 0 375.822 2.696 20 0 GFADRO Cc1ccc(CSCC[NH2+]C[C@H](O)c2ccc(S(C)(=O)=O)cc2)cc1 ZINC000818941154 660236024 /nfs/dbraw/zinc/23/60/24/660236024.db2.gz FEMZDAQAILSTOM-IBGZPJMESA-N 1 0 379.547 2.955 20 0 GFADRO Cc1ccc(CSCC[NH2+]C[C@@H](O)c2ccc(S(C)(=O)=O)cc2)cc1 ZINC000818941160 660236048 /nfs/dbraw/zinc/23/60/48/660236048.db2.gz FEMZDAQAILSTOM-LJQANCHMSA-N 1 0 379.547 2.955 20 0 GFADRO CCN(CC)S(=O)(=O)c1ccc(C[NH2+]C[C@H](O)c2ccccc2C)s1 ZINC000818945787 660236405 /nfs/dbraw/zinc/23/64/05/660236405.db2.gz OJQYGCYCHMKQNT-KRWDZBQOSA-N 1 0 382.551 2.910 20 0 GFADRO O[C@H](C[NH2+]Cc1ccnc(N2CCOCC2)c1)c1ccc(Br)cc1 ZINC000818951386 660236989 /nfs/dbraw/zinc/23/69/89/660236989.db2.gz DJEPBWSNWIJJJV-QGZVFWFLSA-N 1 0 392.297 2.504 20 0 GFADRO O=S(=O)(CC[NH2+]C[C@@H](O)c1ccc(Br)cc1)c1ccccc1 ZINC000818977442 660240799 /nfs/dbraw/zinc/24/07/99/660240799.db2.gz WLOYEVXLQJJCSB-MRXNPFEDSA-N 1 0 384.295 2.546 20 0 GFADRO CC(=O)NC1CCC([NH2+]C[C@](C)(O)c2ccc(Br)cc2F)CC1 ZINC000818997550 660242658 /nfs/dbraw/zinc/24/26/58/660242658.db2.gz FAVAHMOBEQTURP-KVULBXGLSA-N 1 0 387.293 2.833 20 0 GFADRO C[C@@](O)(C[NH2+]CCc1cccc(C(N)=O)c1)c1ccc(Br)cc1F ZINC000819003422 660242936 /nfs/dbraw/zinc/24/29/36/660242936.db2.gz WAWFNDXPYMCTNR-GOSISDBHSA-N 1 0 395.272 2.727 20 0 GFADRO COC(=O)N1CCC[C@H]([NH2+]C[C@@H](O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000819003911 660242939 /nfs/dbraw/zinc/24/29/39/660242939.db2.gz SRZHQUPQDASCHC-NWDGAFQWSA-N 1 0 377.268 2.554 20 0 GFADRO COC(=O)COc1cccc(C[NH2+]C[C@@H](O)c2cccc(Br)c2)c1 ZINC000819075875 660245627 /nfs/dbraw/zinc/24/56/27/660245627.db2.gz RORBDYVLFXOYIG-QGZVFWFLSA-N 1 0 394.265 2.824 20 0 GFADRO O[C@@H](C[NH2+][C@H]1CCN(c2ccc(Br)cc2)C1)c1ccc(F)cn1 ZINC000819015505 660243322 /nfs/dbraw/zinc/24/33/22/660243322.db2.gz IGSMUUURDMUVMF-YOEHRIQHSA-N 1 0 380.261 2.885 20 0 GFADRO C[C@@H]1COCCN1CC[NH2+]C[C@@](C)(O)c1ccc(Br)cc1Cl ZINC000819017700 660243527 /nfs/dbraw/zinc/24/35/27/660243527.db2.gz KWHLMKGUYPKTFK-MLGOLLRUSA-N 1 0 391.737 2.620 20 0 GFADRO CC(C)(C)c1csc(CC[NH2+]C[C@@H](O)c2ccc(S(C)(=O)=O)cc2)n1 ZINC000819019516 660243782 /nfs/dbraw/zinc/24/37/82/660243782.db2.gz AMBNCKONLSRGMD-OAHLLOKOSA-N 1 0 382.551 2.710 20 0 GFADRO CN(C)C(=O)CCN1CCC([NH2+]C[C@H](O)c2ccc(Cl)cc2Cl)CC1 ZINC000819043099 660244367 /nfs/dbraw/zinc/24/43/67/660244367.db2.gz PGYLBKURFBMFAR-KRWDZBQOSA-N 1 0 388.339 2.559 20 0 GFADRO CN1C[C@@H]([NH2+]C[C@](C)(O)c2ccc(Br)cc2Cl)CCC1=O ZINC000819089309 660246155 /nfs/dbraw/zinc/24/61/55/660246155.db2.gz MLFDSNPSOBZJSM-NHYWBVRUSA-N 1 0 375.694 2.520 20 0 GFADRO CCO[C@@H]1C[C@H]([NH2+]C[C@](C)(O)c2ccc(Br)cc2F)[C@@H]1OC ZINC000819226856 660250914 /nfs/dbraw/zinc/25/09/14/660250914.db2.gz KWHNWRINUFQLFX-FZKCQIBNSA-N 1 0 376.266 2.578 20 0 GFADRO CNC(=O)c1cccc(CC[NH2+]C[C@H](O)c2ccc(Br)cc2)c1 ZINC000819094774 660246417 /nfs/dbraw/zinc/24/64/17/660246417.db2.gz LXJMQVDODPGQKP-KRWDZBQOSA-N 1 0 377.282 2.674 20 0 GFADRO CNC(=O)c1cccc(CC[NH2+]C[C@@H](O)c2ccc(F)c(Br)c2)c1 ZINC000819095915 660246427 /nfs/dbraw/zinc/24/64/27/660246427.db2.gz VVESHOLGZGSKJA-QGZVFWFLSA-N 1 0 395.272 2.814 20 0 GFADRO CO[C@@H](C[NH2+]C[C@@H](O)c1ccc(S(C)(=O)=O)cc1)c1ccccc1Cl ZINC000819169261 660248476 /nfs/dbraw/zinc/24/84/76/660248476.db2.gz YYEQCVBKLDQZMJ-MSOLQXFVSA-N 1 0 383.897 2.754 20 0 GFADRO CO[C@@H](C[NH2+]C[C@H](O)c1ccc(S(C)(=O)=O)cc1)c1ccccc1Cl ZINC000819169264 660248619 /nfs/dbraw/zinc/24/86/19/660248619.db2.gz YYEQCVBKLDQZMJ-ROUUACIJSA-N 1 0 383.897 2.754 20 0 GFADRO C[C@H]([NH2+]C[C@](C)(O)c1ccc(Br)cc1Cl)[C@H]1CN(C)CCO1 ZINC000819177395 660248895 /nfs/dbraw/zinc/24/88/95/660248895.db2.gz HCECJJMZJOPNPL-XZJROXQQSA-N 1 0 391.737 2.619 20 0 GFADRO COCCc1ccc(OC[C@H](O)C[NH2+][C@@H]2CC[C@H]3SCCS[C@H]23)cc1 ZINC000819198845 660249841 /nfs/dbraw/zinc/24/98/41/660249841.db2.gz UPSCNRKZVYLNMF-NXWXRZEISA-N 1 0 383.579 2.584 20 0 GFADRO O[C@H](C[NH2+]C1CCN(c2cccnn2)CC1)c1ccc(F)c(Br)c1 ZINC000819264473 660252727 /nfs/dbraw/zinc/25/27/27/660252727.db2.gz UWICEAUFZUGQFO-MRXNPFEDSA-N 1 0 395.276 2.670 20 0 GFADRO CS(=O)(=O)c1ccc(C[NH2+]C[C@H](O)c2ccc(F)c(F)c2)cc1Cl ZINC000819263977 660252763 /nfs/dbraw/zinc/25/27/63/660252763.db2.gz HTUAJYDTZWAIQQ-HNNXBMFYSA-N 1 0 375.824 2.845 20 0 GFADRO C[C@H]([NH2+]C[C@@H](O)CN(C)C(=O)OC(C)(C)C)c1ccc(Br)cn1 ZINC000819277991 660253317 /nfs/dbraw/zinc/25/33/17/660253317.db2.gz JTPRZWWIIQCMQT-WCQYABFASA-N 1 0 388.306 2.723 20 0 GFADRO CN(CCC(F)(F)F)[C@@H](C[NH2+]CCS(C)(=O)=O)c1ccc(Cl)cc1 ZINC000819297801 660253980 /nfs/dbraw/zinc/25/39/80/660253980.db2.gz WSPFYCOJGWAYOV-AWEZNQCLSA-N 1 0 386.867 2.900 20 0 GFADRO COC(=O)N1CCC(C[NH2+]C[C@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000819308345 660254536 /nfs/dbraw/zinc/25/45/36/660254536.db2.gz QOOWCHAPRGIQOX-ZDUSSCGKSA-N 1 0 391.295 2.801 20 0 GFADRO Cc1cc(OC[C@@H](O)C[NH2+]CCS(=O)(=O)C2CC2)c(C(C)C)cc1Cl ZINC000819368222 660257028 /nfs/dbraw/zinc/25/70/28/660257028.db2.gz DYHOGBLMLXPKJZ-AWEZNQCLSA-N 1 0 389.945 2.678 20 0 GFADRO Cn1nccc1[C@@H]1C[C@H]([NH2+]C[C@H](O)c2ccc(Br)cc2)CCO1 ZINC000819355411 660256686 /nfs/dbraw/zinc/25/66/86/660256686.db2.gz UWIAFZVHUPHRKX-PVAVHDDUSA-N 1 0 380.286 2.726 20 0 GFADRO Brc1csc(C[NH2+]CCOc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000819689036 660267172 /nfs/dbraw/zinc/26/71/72/660267172.db2.gz SULSEBWVUCUMBZ-UHFFFAOYSA-N 1 0 380.271 2.859 20 0 GFADRO Cc1ccc(Br)c(C(=O)Nc2cccc(C[N@@H+]3CC[C@@H](O)C3)c2)n1 ZINC000819974390 660276922 /nfs/dbraw/zinc/27/69/22/660276922.db2.gz SCVYIJQCLAEQFF-OAHLLOKOSA-N 1 0 390.281 2.971 20 0 GFADRO Cn1c(C(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)cc2cc(Br)cnc21 ZINC000820608782 660299023 /nfs/dbraw/zinc/29/90/23/660299023.db2.gz MTFGVMMEQMBSOW-GOSISDBHSA-N 1 0 391.313 2.894 20 0 GFADRO CC(C)c1ncc(Br)c(C(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)n1 ZINC000820609689 660299314 /nfs/dbraw/zinc/29/93/14/660299314.db2.gz RWDSRDQMGBJCJN-QGZVFWFLSA-N 1 0 381.318 2.920 20 0 GFADRO C[NH+](C)C[C@@H]1CN(C(=O)c2csc(Br)n2)c2ccccc2O1 ZINC000820895116 660309630 /nfs/dbraw/zinc/30/96/30/660309630.db2.gz AQXLTISSSKMLLE-SNVBAGLBSA-N 1 0 382.283 2.875 20 0 GFADRO CC(C)(C[NH+]1CCOCC1)C(=O)NC[C@H](O)c1ccc(Cl)cc1Cl ZINC000820929117 660310387 /nfs/dbraw/zinc/31/03/87/660310387.db2.gz NTWQKJXBBCGNFM-HNNXBMFYSA-N 1 0 375.296 2.501 20 0 GFADRO CO[C@@H]1CC[C@@H]([N@@H+]2CCCN(S(=O)(=O)c3ccc(Cl)s3)CC2)C1 ZINC000821362416 660323176 /nfs/dbraw/zinc/32/31/76/660323176.db2.gz HJBXFSUQKKOLLW-CHWSQXEVSA-N 1 0 378.947 2.665 20 0 GFADRO C[N@H+](CCn1cnc(Br)n1)C1CCN(Cc2ccccc2)CC1 ZINC000821390697 660324227 /nfs/dbraw/zinc/32/42/27/660324227.db2.gz DIWNIIBCTVMUME-UHFFFAOYSA-N 1 0 378.318 2.637 20 0 GFADRO CCN(C(=O)C[C@H]1C(=O)Nc2ccc(Br)cc21)C1CC[NH+](C)CC1 ZINC000821401395 660324707 /nfs/dbraw/zinc/32/47/07/660324707.db2.gz RWNIACRQJWTNPY-OAHLLOKOSA-N 1 0 394.313 2.818 20 0 GFADRO Cn1nc(Br)cc1NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000821466112 660326578 /nfs/dbraw/zinc/32/65/78/660326578.db2.gz GAUHZYBFXKUDJB-ZDUSSCGKSA-N 1 0 378.274 2.579 20 0 GFADRO C[C@@H](NC(=O)c1cc(N)nc(Br)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000821811246 660334295 /nfs/dbraw/zinc/33/42/95/660334295.db2.gz HGXOFQRKSUNKQD-VXGBXAGGSA-N 1 0 381.318 2.809 20 0 GFADRO C[C@]1(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)CC1(Br)Br ZINC000822155439 660341134 /nfs/dbraw/zinc/34/11/34/660341134.db2.gz JLOGCLHOCFADPQ-CKYFFXLPSA-N 1 0 380.124 2.626 20 0 GFADRO C[C@]1(CC(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)CC1(Cl)Cl ZINC000822237814 660341963 /nfs/dbraw/zinc/34/19/63/660341963.db2.gz JVTNEHQCFSHFKK-SFHVURJKSA-N 1 0 384.351 2.894 20 0 GFADRO Cc1nc(SCC(C)C)sc1CC(=O)NCCCC[NH+]1CCOCC1 ZINC000822244937 660341975 /nfs/dbraw/zinc/34/19/75/660341975.db2.gz PLFYTXUKBAJPQB-UHFFFAOYSA-N 1 0 385.599 2.971 20 0 GFADRO CCCC1(C[NH2+]CCCS(C)(=O)=O)CCN(C(=O)OC(C)(C)C)CC1 ZINC000822456074 660345944 /nfs/dbraw/zinc/34/59/44/660345944.db2.gz NTWCXTROKLBJRS-UHFFFAOYSA-N 1 0 376.563 2.828 20 0 GFADRO CCCC1(C[NH2+]C[C@H](C)S(C)(=O)=O)CCN(C(=O)OC(C)(C)C)CC1 ZINC000822464929 660346128 /nfs/dbraw/zinc/34/61/28/660346128.db2.gz VPKFUAJJUXOSKJ-HNNXBMFYSA-N 1 0 376.563 2.827 20 0 GFADRO CO[C@H](C)c1noc(CN2CCC[N@H+](CC[C@@H]3CC3(Cl)Cl)CC2)n1 ZINC000822667991 660351480 /nfs/dbraw/zinc/35/14/80/660351480.db2.gz DSFZBXNVKPCATD-CHWSQXEVSA-N 1 0 377.316 2.869 20 0 GFADRO C[C@@H](CNC(=O)[C@@]1(C)CC1(Br)Br)C[NH+]1CCCC1 ZINC000822692624 660351922 /nfs/dbraw/zinc/35/19/22/660351922.db2.gz BQTFCRFPIDYKGP-CMPLNLGQSA-N 1 0 382.140 2.731 20 0 GFADRO CCn1ncc(C(=O)N[C@@H](C[NH+](C)C)c2ccc(OC)cc2)c1Br ZINC000822803187 660354742 /nfs/dbraw/zinc/35/47/42/660354742.db2.gz DAMAAWBHYXBDFJ-HNNXBMFYSA-N 1 0 395.301 2.707 20 0 GFADRO Cc1ccc(-c2noc(-c3cn([C@H]4CCC[NH2+]C4)nn3)n2)cc1Br ZINC000822797899 660354785 /nfs/dbraw/zinc/35/47/85/660354785.db2.gz NODXEIDZUGZFFF-LBPRGKRZSA-N 1 0 389.257 2.991 20 0 GFADRO C[C@H](NC(=O)Cc1noc(C[C@H]2CC[NH2+]C2)n1)c1ccc(Cl)cc1Cl ZINC000823128213 660362507 /nfs/dbraw/zinc/36/25/07/660362507.db2.gz FVVFJKVQERNXJB-WDEREUQCSA-N 1 0 383.279 2.948 20 0 GFADRO Cc1ccc(Br)cc1-c1noc(-c2cn(CCCC[NH3+])nn2)n1 ZINC000823189784 660364348 /nfs/dbraw/zinc/36/43/48/660364348.db2.gz QHFYHVHJJIXBLZ-UHFFFAOYSA-N 1 0 377.246 2.805 20 0 GFADRO CN(C[C@@H](O)c1cccc(Br)c1)C(=O)C12CCC[NH+](CCC1)C2 ZINC000823577111 660375264 /nfs/dbraw/zinc/37/52/64/660375264.db2.gz STLYMSPWLBZEEU-MRXNPFEDSA-N 1 0 381.314 2.817 20 0 GFADRO Brc1cccc2c(C[NH2+]C[C@H]3CN4CCC[C@H]4CO3)ccnc12 ZINC000823825559 660381059 /nfs/dbraw/zinc/38/10/59/660381059.db2.gz SVCDOZKQQMUJJY-GJZGRUSLSA-N 1 0 376.298 2.950 20 0 GFADRO O=S(=O)(NCCC[NH2+]Cc1ccnc(Cl)c1F)c1ccccc1Cl ZINC000824331923 660389905 /nfs/dbraw/zinc/38/99/05/660389905.db2.gz BKJGCVBDMNHNGN-UHFFFAOYSA-N 1 0 392.283 2.986 20 0 GFADRO CC(C)[C@H](CNC(=O)OC(C)(C)C)C[N@@H+]1CCC[C@@H](S(C)(=O)=O)CC1 ZINC000824339653 660390242 /nfs/dbraw/zinc/39/02/42/660390242.db2.gz YYLVPMPTHHIKFQ-HZPDHXFCSA-N 1 0 376.563 2.682 20 0 GFADRO C[NH+](C)CC1(C(=O)N2CC[C@@]3(C)[C@@H](C2)C3(Br)Br)CC1 ZINC000824395065 660391120 /nfs/dbraw/zinc/39/11/20/660391120.db2.gz CLVMMVRHWSJAFR-PWSUYJOCSA-N 1 0 394.151 2.683 20 0 GFADRO O[C@H]1c2ccccc2OC[C@@H]1[NH2+]Cc1ccc(I)cc1 ZINC000824410346 660391409 /nfs/dbraw/zinc/39/14/09/660391409.db2.gz ZOLHSORXGMVKII-HOCLYGCPSA-N 1 0 381.213 2.875 20 0 GFADRO O=C(NC[C@H]1CSCCS1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000824421253 660391545 /nfs/dbraw/zinc/39/15/45/660391545.db2.gz LELSYVJKUIEEMM-OKZBNKHCSA-N 1 0 377.579 2.751 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)C[C@@H]1C(=O)Nc2ccc(Br)cc21 ZINC000824658684 660399023 /nfs/dbraw/zinc/39/90/23/660399023.db2.gz NWSPNPAKNLOAGG-OCCSQVGLSA-N 1 0 394.313 2.864 20 0 GFADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1cc2cc(Br)sc2[nH]1 ZINC000824740382 660400637 /nfs/dbraw/zinc/40/06/37/660400637.db2.gz DWXFYFGLHSQRJJ-QWRGUYRKSA-N 1 0 384.299 2.585 20 0 GFADRO C[NH+](C)CCn1c(=O)[nH]c2ccc(C(=O)NCC[C@H]3CC3(Cl)Cl)cc21 ZINC000824804836 660402584 /nfs/dbraw/zinc/40/25/84/660402584.db2.gz NEXLZZUMLPYEFA-LBPRGKRZSA-N 1 0 385.295 2.617 20 0 GFADRO C[C@@H]([NH2+]CCS(=O)(=O)C1CCOCC1)c1ccc(Br)cc1 ZINC000824904405 660404712 /nfs/dbraw/zinc/40/47/12/660404712.db2.gz ZQFWGWQZUPLSCH-GFCCVEGCSA-N 1 0 376.316 2.694 20 0 GFADRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)c2c(Br)nc3n2CCC3)C1 ZINC000825129857 660412148 /nfs/dbraw/zinc/41/21/48/660412148.db2.gz GSRMRMYSRVLZEV-STQMWFEESA-N 1 0 383.334 2.690 20 0 GFADRO CCn1nc(C)c(C[NH2+]C[C@H](CO)Cc2cccc(Br)c2C)n1 ZINC000825133903 660412657 /nfs/dbraw/zinc/41/26/57/660412657.db2.gz PKXYCPXXWVOJSL-CQSZACIVSA-N 1 0 381.318 2.618 20 0 GFADRO CS(=O)(=O)CC1CCC([NH2+]C[C@H](O)c2ccccc2Br)CC1 ZINC000825342784 660421654 /nfs/dbraw/zinc/42/16/54/660421654.db2.gz GNCQLZDHUARCIN-ZUEPYMLJSA-N 1 0 390.343 2.676 20 0 GFADRO CN(C[C@@H](O)c1cccc(Br)c1)c1nc(N)[nH+]c2c1CCCC2 ZINC000826131422 660450465 /nfs/dbraw/zinc/45/04/65/660450465.db2.gz QBVAREHDUPJNBO-OAHLLOKOSA-N 1 0 377.286 2.870 20 0 GFADRO COC(=O)[C@@H]1CN(c2nccc3ccc(Br)cc32)CC[N@H+](C)C1 ZINC000826130965 660450482 /nfs/dbraw/zinc/45/04/82/660450482.db2.gz LJLPBRUEXXTZQP-ZDUSSCGKSA-N 1 0 378.270 2.538 20 0 GFADRO Cc1c(Br)ccc(F)c1C(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000826564979 660457191 /nfs/dbraw/zinc/45/71/91/660457191.db2.gz SORSTEJWMLCVME-ZDUSSCGKSA-N 1 0 385.277 2.568 20 0 GFADRO O=C(NCc1ccc(Br)cn1)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000826827555 660467640 /nfs/dbraw/zinc/46/76/40/660467640.db2.gz RAXWHQFJHDQNGU-HNNXBMFYSA-N 1 0 389.297 2.768 20 0 GFADRO Cc1cc(C(=O)N2CC[C@H]([NH+]3CCC3)C2)nn1-c1ccccc1Br ZINC000826950724 660473026 /nfs/dbraw/zinc/47/30/26/660473026.db2.gz VNWJNVYUIMFHRG-AWEZNQCLSA-N 1 0 389.297 2.863 20 0 GFADRO Cc1cc(C(=O)N2CC[C@@H]([NH+]3CCC3)C2)nn1-c1ccccc1Br ZINC000826950725 660473042 /nfs/dbraw/zinc/47/30/42/660473042.db2.gz VNWJNVYUIMFHRG-CQSZACIVSA-N 1 0 389.297 2.863 20 0 GFADRO O=C(c1c(Br)nc2n1CCC2)N1CC[NH+](C2CCCCC2)CC1 ZINC000827018005 660475704 /nfs/dbraw/zinc/47/57/04/660475704.db2.gz AEKKJBGRNPTYCR-UHFFFAOYSA-N 1 0 381.318 2.682 20 0 GFADRO CCOCC[C@H](O)C[N@@H+]1CC[C@@]2(C)[C@@H](C1)C2(Br)Br ZINC000852337394 661861461 /nfs/dbraw/zinc/86/14/61/661861461.db2.gz QXUQGMQDHIQTES-TUAOUCFPSA-N 1 0 385.140 2.602 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3[C@@H]4Cc5c(cccc5Br)[C@@H]43)CC[C@@H]21 ZINC000827221334 660485065 /nfs/dbraw/zinc/48/50/65/660485065.db2.gz WYLMPILEVDGUFN-IERSGTSRSA-N 1 0 375.310 2.887 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccn(-c4cccc(Br)c4)n3)CC[C@@H]21 ZINC000827322469 660489041 /nfs/dbraw/zinc/48/90/41/660489041.db2.gz ZWXSLDMVDCSYOF-DYVFJYSZSA-N 1 0 389.297 2.801 20 0 GFADRO Cc1ccc(C(=O)N2CC[C@H]3[C@@H](CC[N@H+]3C)C2)cc1I ZINC000827330211 660489654 /nfs/dbraw/zinc/48/96/54/660489654.db2.gz KXAUJBUMCWNMKD-ZFWWWQNUSA-N 1 0 384.261 2.766 20 0 GFADRO CC1CC[NH+](C2CCC(NC(=O)c3cc(Br)n(C)n3)CC2)CC1 ZINC000827250365 660486232 /nfs/dbraw/zinc/48/62/32/660486232.db2.gz POMPQYSGJVPQPW-UHFFFAOYSA-N 1 0 383.334 2.956 20 0 GFADRO CC[NH+]1CCN([C@H](C)CNC(=O)c2cc(Cl)nc(C(F)(F)F)c2)CC1 ZINC000827501478 660499739 /nfs/dbraw/zinc/49/97/39/660499739.db2.gz WOUILWCRRAQQAN-LLVKDONJSA-N 1 0 378.826 2.510 20 0 GFADRO C[N@@H+]1C[C@@]2(C)CN(C(=O)c3cnn4cccc(Br)c34)C[C@@]2(C)C1 ZINC000827598238 660504049 /nfs/dbraw/zinc/50/40/49/660504049.db2.gz NNPLMNYYNBDSIQ-CALCHBBNSA-N 1 0 377.286 2.511 20 0 GFADRO C[NH+]1CCC(OCC(=O)N[C@H](CCO)c2cc(Cl)cc(Cl)c2)CC1 ZINC000827645169 660506957 /nfs/dbraw/zinc/50/69/57/660506957.db2.gz JHNGGMJLAVTKSK-MRXNPFEDSA-N 1 0 375.296 2.644 20 0 GFADRO Cc1[nH]nc(Br)c1C(=O)N[C@H]1CC[N@H+](Cc2cccc(C)c2)C1 ZINC000828216245 660540076 /nfs/dbraw/zinc/54/00/76/660540076.db2.gz ODHPNBQULRQZCU-AWEZNQCLSA-N 1 0 377.286 2.793 20 0 GFADRO Cn1c(C(=O)N2CC[C@H]3[C@H](CC[N@@H+]3C)C2)cc2cc(Br)cnc21 ZINC000828512085 660553543 /nfs/dbraw/zinc/55/35/43/660553543.db2.gz PWZFIBGTDUVVIG-RISCZKNCSA-N 1 0 377.286 2.502 20 0 GFADRO Cc1c(Br)cc(F)cc1C(=O)N1CCC([NH+]2CCN(C)CC2)CC1 ZINC000828517862 660553973 /nfs/dbraw/zinc/55/39/73/660553973.db2.gz RRQKMDNICBOBPW-UHFFFAOYSA-N 1 0 398.320 2.749 20 0 GFADRO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)c1cc(Br)c2nccnc2c1 ZINC000828958534 660576526 /nfs/dbraw/zinc/57/65/26/660576526.db2.gz GPSKTZPQQPCKMU-GJZGRUSLSA-N 1 0 375.270 2.701 20 0 GFADRO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2csc(I)n2)C1 ZINC000829174550 660584232 /nfs/dbraw/zinc/58/42/32/660584232.db2.gz HJODYXGVLDJOBR-SNVBAGLBSA-N 1 0 393.294 2.552 20 0 GFADRO Cc1cc(C(=O)N2CCN(c3cc[nH+]cc3)[C@@H](C)C2)cnc1Br ZINC000829214587 660585532 /nfs/dbraw/zinc/58/55/32/660585532.db2.gz FAPYDACQZIYARD-ZDUSSCGKSA-N 1 0 375.270 2.898 20 0 GFADRO CN(CC[NH+]1CC2(C1)CCOCC2)C(=O)[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC000829227633 660585898 /nfs/dbraw/zinc/58/58/98/660585898.db2.gz APGPAFWEXCCLRL-MRXNPFEDSA-N 1 0 387.307 2.598 20 0 GFADRO CCc1c(Cl)nc(CS(C)(=O)=O)nc1NC1CC[NH+](C2CCC2)CC1 ZINC000829322749 660589478 /nfs/dbraw/zinc/58/94/78/660589478.db2.gz WBGAIYFPEJRGJL-UHFFFAOYSA-N 1 0 386.949 2.666 20 0 GFADRO O=C(NCc1ncc(Br)s1)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000829528999 660596031 /nfs/dbraw/zinc/59/60/31/660596031.db2.gz WXCBBGJJGNRNPT-LLVKDONJSA-N 1 0 390.372 2.739 20 0 GFADRO C[NH+](C)C1CCN(CCNC(=O)c2cc(Cl)nc(C(F)(F)F)c2)CC1 ZINC000829672951 660606167 /nfs/dbraw/zinc/60/61/67/660606167.db2.gz JYPUTAZSDZWIIZ-UHFFFAOYSA-N 1 0 378.826 2.510 20 0 GFADRO CCC[NH+]1CCN(c2ccc(NS(=O)(=O)C[C@@H](C)OC)cc2Cl)CC1 ZINC000829673223 660606195 /nfs/dbraw/zinc/60/61/95/660606195.db2.gz NDSPEXOWQMKZEZ-CQSZACIVSA-N 1 0 389.949 2.649 20 0 GFADRO C[C@@H]1C[C@H](c2ccc(Br)cc2)C[N@@H+]1Cc1nc(N)nc(N(C)C)n1 ZINC000626040911 652380985 /nfs/dbraw/zinc/38/09/85/652380985.db2.gz NQPDOKJIZGLCAL-YPMHNXCESA-N 1 0 391.317 2.660 20 0 GFADRO C[NH+](C)CCn1nccc1NS(=O)(=O)/C=C/c1ccccc1Br ZINC000829957306 660625687 /nfs/dbraw/zinc/62/56/87/660625687.db2.gz FKWSODPAOKYBDU-XYOKQWHBSA-N 1 0 399.314 2.620 20 0 GFADRO O=C(NCC[C@@H]1CC[C@H](C(F)(F)F)O1)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000830452717 660657752 /nfs/dbraw/zinc/65/77/52/660657752.db2.gz SIKMCOXGRLMPEY-SOUVJXGZSA-N 1 0 380.476 2.820 20 0 GFADRO CN(C)C(=O)O[C@H]1CCC[N@H+](C[C@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000830569309 660664846 /nfs/dbraw/zinc/66/48/46/660664846.db2.gz PCMSBNNWKIGPCC-KBPBESRZSA-N 1 0 391.295 2.896 20 0 GFADRO CN(C)C(=O)O[C@H]1CC[N@H+](CCC(=O)Nc2ccc(Br)cc2)C1 ZINC000830491994 660659454 /nfs/dbraw/zinc/65/94/54/660659454.db2.gz NEMBFGZGQFJGRQ-AWEZNQCLSA-N 1 0 384.274 2.550 20 0 GFADRO CC(C)[NH+]1CCC(N2CCN(C(=O)CC[C@H]3CC3(Cl)Cl)CC2)CC1 ZINC000830652486 660668823 /nfs/dbraw/zinc/66/88/23/660668823.db2.gz PZMXMPJICCDFAO-HNNXBMFYSA-N 1 0 376.372 2.977 20 0 GFADRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)S(=O)(=O)c1c[nH]nc1Cl ZINC000830750331 660677929 /nfs/dbraw/zinc/67/79/29/660677929.db2.gz IVXQHTQSEXFCIJ-OAHLLOKOSA-N 1 0 382.917 2.596 20 0 GFADRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)S(=O)(=O)c1c[nH]nc1Cl ZINC000830750330 660678036 /nfs/dbraw/zinc/67/80/36/660678036.db2.gz IVXQHTQSEXFCIJ-HNNXBMFYSA-N 1 0 382.917 2.596 20 0 GFADRO CS[C@@H]1CN(C(=O)c2ccc(C(F)(F)Br)nc2)C[C@@H]1[NH+](C)C ZINC000831300971 660707806 /nfs/dbraw/zinc/70/78/06/660707806.db2.gz YIZZVWSKUNWEFK-WDEREUQCSA-N 1 0 394.285 2.643 20 0 GFADRO CC(C)[N@H+](C)C[C@H](C)NS(=O)(=O)c1cnc(Cl)c(Br)c1 ZINC000831582906 660713569 /nfs/dbraw/zinc/71/35/69/660713569.db2.gz KCTPJPYOVNPTCT-VIFPVBQESA-N 1 0 384.727 2.505 20 0 GFADRO C[N@H+](Cc1ccccc1)C1(CNC(=O)[C@H]2CSCCS2)CCOCC1 ZINC000831600689 660714543 /nfs/dbraw/zinc/71/45/43/660714543.db2.gz XQWFLYOMZFQTTP-QGZVFWFLSA-N 1 0 380.579 2.632 20 0 GFADRO CCO[C@@H](CNC(=O)c1nc2ccccc2cc1Br)C[NH+](C)C ZINC000831718050 660721881 /nfs/dbraw/zinc/72/18/81/660721881.db2.gz IWHRUOUEMGSBMY-ZDUSSCGKSA-N 1 0 380.286 2.694 20 0 GFADRO CCS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000831726519 660722944 /nfs/dbraw/zinc/72/29/44/660722944.db2.gz CWMODQQRCOFTMM-KGLIPLIRSA-N 1 0 384.929 2.595 20 0 GFADRO O=C(c1[nH]nc2c1C[NH2+]CC2)N1CCC(c2cccc(Br)c2)CC1 ZINC000832028322 660747583 /nfs/dbraw/zinc/74/75/83/660747583.db2.gz DIHOOXJBAPENKQ-UHFFFAOYSA-N 1 0 389.297 2.838 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CN(C(=O)COc2ccc(C3SCCCS3)cc2)CCO1 ZINC000834323258 660814329 /nfs/dbraw/zinc/81/43/29/660814329.db2.gz XZOUBBQEKJEPTD-BBRMVZONSA-N 1 0 382.551 2.509 20 0 GFADRO COC(=O)N1CCC([NH2+]C[C@@](C)(O)c2ccc(Br)cc2F)CC1 ZINC000834362722 660816304 /nfs/dbraw/zinc/81/63/04/660816304.db2.gz INNOJGVWYIDLBC-MRXNPFEDSA-N 1 0 389.265 2.616 20 0 GFADRO C[NH+](C)[C@H]1CCCN(C(=O)[C@@]2(C)CC2(Br)Br)CC1 ZINC000834437135 660819792 /nfs/dbraw/zinc/81/97/92/660819792.db2.gz ZALKIWXIKKCZGC-CMPLNLGQSA-N 1 0 382.140 2.825 20 0 GFADRO CCN(CCC[NH+](CC)CC)C(=O)C(=O)Nc1cc(C)cc(Br)n1 ZINC000835290595 660849256 /nfs/dbraw/zinc/84/92/56/660849256.db2.gz FMJWQQRNOGNCPU-UHFFFAOYSA-N 1 0 399.333 2.671 20 0 GFADRO C[NH+](C)CC1(CNC(=O)NC[C@@H](O)c2ccccc2Br)CCCC1 ZINC000836429626 660905315 /nfs/dbraw/zinc/90/53/15/660905315.db2.gz NOERDVGGZPJZTH-MRXNPFEDSA-N 1 0 398.345 2.904 20 0 GFADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NCC[C@@]1(C)CC1(Cl)Cl ZINC000836624895 660922602 /nfs/dbraw/zinc/92/26/02/660922602.db2.gz SUMBNKIBJADCRP-CJNGLKHVSA-N 1 0 378.344 2.855 20 0 GFADRO Cc1ncc(Br)cc1NC(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000836736981 660936508 /nfs/dbraw/zinc/93/65/08/660936508.db2.gz SFQWODUSFFSXFY-OAHLLOKOSA-N 1 0 397.317 2.917 20 0 GFADRO C[NH+]1CCN(CCCNC(=S)NCCSc2ccc(Cl)cc2)CC1 ZINC000022804176 654534645 /nfs/dbraw/zinc/53/46/45/654534645.db2.gz CBMXKKNHVSQIDN-UHFFFAOYSA-N 1 0 387.018 2.534 20 0 GFADRO CCC[NH+](CCC)CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000027269986 654563537 /nfs/dbraw/zinc/56/35/37/654563537.db2.gz DSZWULQZIWMZMY-UHFFFAOYSA-N 1 0 375.922 2.651 20 0 GFADRO CSCCCNC(=S)C(C(=O)c1ccccc1)[n+]1cccc(CO)c1 ZINC000027480894 654564528 /nfs/dbraw/zinc/56/45/28/654564528.db2.gz YYXWMDHESBDBNV-UHFFFAOYSA-O 1 0 375.539 2.748 20 0 GFADRO O=C(COC(=O)Cc1ccc(Cl)cc1Cl)NC1CC[NH+](C2CC2)CC1 ZINC000028174960 654570793 /nfs/dbraw/zinc/57/07/93/654570793.db2.gz NEZODNWRTYCLEZ-UHFFFAOYSA-N 1 0 385.291 2.822 20 0 GFADRO C[NH+]1CCN(c2ccc(NC(=O)/C=C/c3ccc(Br)o3)cn2)CC1 ZINC000030030876 654582096 /nfs/dbraw/zinc/58/20/96/654582096.db2.gz FOEPAYDRUZTHLJ-QPJJXVBHSA-N 1 0 391.269 2.841 20 0 GFADRO Cc1ccc(OCC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)c(Br)c1 ZINC000032268538 654600885 /nfs/dbraw/zinc/60/08/85/654600885.db2.gz VZDPUHINXOJHPR-OAHLLOKOSA-N 1 0 399.329 2.609 20 0 GFADRO O=C(COc1cc(Cl)ccc1Cl)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000036190538 654612165 /nfs/dbraw/zinc/61/21/65/654612165.db2.gz DUUKEQPSYDIXBN-UHFFFAOYSA-N 1 0 387.307 2.943 20 0 GFADRO C[C@H](CNS(=O)(=O)c1ccc(F)cc1Br)[NH+]1CCCCC1 ZINC000040446491 654621396 /nfs/dbraw/zinc/62/13/96/654621396.db2.gz YNPTXYPBSHKNLJ-LLVKDONJSA-N 1 0 379.295 2.741 20 0 GFADRO CC[NH+]1CCC(N(C)S(=O)(=O)c2cc(Br)cnc2Cl)CC1 ZINC000041065824 654622126 /nfs/dbraw/zinc/62/21/26/654622126.db2.gz QXOQPVWAXCDNGG-UHFFFAOYSA-N 1 0 396.738 2.602 20 0 GFADRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)/C=C\c2ccc(I)o2)C1 ZINC000837184307 660975980 /nfs/dbraw/zinc/97/59/80/660975980.db2.gz GDQSCHRKTQELPS-HWPRWLFBSA-N 1 0 388.249 2.839 20 0 GFADRO C[C@@H](CNC(=O)C(=O)Nc1ccc(Br)cc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000041651254 654629119 /nfs/dbraw/zinc/62/91/19/654629119.db2.gz NKYGLLSLCAIGNT-OLZOCXBDSA-N 1 0 382.302 2.624 20 0 GFADRO CC[NH+](CC)C[C@H](C)NS(=O)(=O)c1cc(Br)cnc1Cl ZINC000041679100 654629785 /nfs/dbraw/zinc/62/97/85/654629785.db2.gz NFDOBQOYSRWNIM-VIFPVBQESA-N 1 0 384.727 2.506 20 0 GFADRO CC[NH+](CC)C[C@@H](C)NS(=O)(=O)c1cc(Br)cnc1Cl ZINC000041679098 654629941 /nfs/dbraw/zinc/62/99/41/654629941.db2.gz NFDOBQOYSRWNIM-SECBINFHSA-N 1 0 384.727 2.506 20 0 GFADRO C[NH+](C)CC(C)(C)CNC(=O)c1ccc(F)cc1I ZINC000042817460 654645549 /nfs/dbraw/zinc/64/55/49/654645549.db2.gz QORHKNWXPQUQCO-UHFFFAOYSA-N 1 0 378.229 2.748 20 0 GFADRO O=C(COc1cccc(Br)c1)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000046048247 654674271 /nfs/dbraw/zinc/67/42/71/654674271.db2.gz WZYSJCPUZJWIOK-QGZVFWFLSA-N 1 0 397.313 2.541 20 0 GFADRO CC[NH+]1CCN([C@H](C)CNC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)CC1 ZINC000046947281 654688255 /nfs/dbraw/zinc/68/82/55/654688255.db2.gz MZBFNBAVOPDCPW-KGLIPLIRSA-N 1 0 388.339 2.903 20 0 GFADRO C[C@H](CNC(=O)c1c(Br)nc2n1CCCC2)[N@@H+]1CCC[C@@H](C)C1 ZINC000837346593 660987842 /nfs/dbraw/zinc/98/78/42/660987842.db2.gz SDTHIVMYEYPYAI-CHWSQXEVSA-N 1 0 383.334 2.832 20 0 GFADRO C[NH+](C)CCN(C(=O)c1nscc1I)C1CCCC1 ZINC000906672936 663964393 /nfs/dbraw/zinc/96/43/93/663964393.db2.gz HOPOAWGDNVWPFI-UHFFFAOYSA-N 1 0 393.294 2.694 20 0 GFADRO CC1CC[NH+]([C@@H](CNC(=O)NC[C@H](O)C(F)(F)F)c2cccs2)CC1 ZINC000048740544 654712328 /nfs/dbraw/zinc/71/23/28/654712328.db2.gz AXXFOZODIRYAKF-JSGCOSHPSA-N 1 0 379.448 2.744 20 0 GFADRO CCC[N@@H+](CC(=O)Nc1ccc(Cl)cc1Cl)C[C@@H](O)Cn1cccn1 ZINC000051594181 654726430 /nfs/dbraw/zinc/72/64/30/654726430.db2.gz JTVVLTZWCYVAAO-CQSZACIVSA-N 1 0 385.295 2.902 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000121972758 654726524 /nfs/dbraw/zinc/72/65/24/654726524.db2.gz YQVXJDGOHOICLH-AWEZNQCLSA-N 1 0 391.313 2.967 20 0 GFADRO C[N@@H+]1CCC[C@@H]2CN(S(=O)(=O)c3ccc(OC(F)(F)F)cc3)CC[C@@H]21 ZINC000122325438 654733930 /nfs/dbraw/zinc/73/39/30/654733930.db2.gz ZEMZBUNFBNXUDQ-DOMZBBRYSA-N 1 0 378.416 2.690 20 0 GFADRO Cc1n[nH]c(C(=O)NCC2([NH+]3CCSCC3)CCCC2)c1Br ZINC000053501399 654747698 /nfs/dbraw/zinc/74/76/98/654747698.db2.gz CZLSWTZZBHTZRR-UHFFFAOYSA-N 1 0 387.347 2.572 20 0 GFADRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3c(Br)nc4n3CCCC4)CC[C@H]21 ZINC000837476613 661000493 /nfs/dbraw/zinc/00/04/93/661000493.db2.gz OIPAKBQOWLGKMY-QWHCGFSZSA-N 1 0 381.318 2.538 20 0 GFADRO C[C@H]1C[C@@H](N(C)CCS(=O)(=O)c2ccc(Br)cc2)CC[N@@H+]1C ZINC000123441856 654756214 /nfs/dbraw/zinc/75/62/14/654756214.db2.gz VQEVMDDOGNOEHY-ZFWWWQNUSA-N 1 0 389.359 2.637 20 0 GFADRO C[C@@H]1C[NH+](CCCNC(=O)Cc2ccc(F)c(Br)c2)C[C@@H](C)O1 ZINC000054174031 654758023 /nfs/dbraw/zinc/75/80/23/654758023.db2.gz WZTVKIDXXBMIJV-CHWSQXEVSA-N 1 0 387.293 2.746 20 0 GFADRO O=c1c(Br)nn(C[NH+]2CCN(c3ccccc3)CC2)c2ccccc12 ZINC000123527438 654758658 /nfs/dbraw/zinc/75/86/58/654758658.db2.gz MAYSXEFUCSUCTL-UHFFFAOYSA-N 1 0 399.292 2.939 20 0 GFADRO Cc1cccc(C[NH+]2CCN(Cn3cc(Br)c([N+](=O)[O-])n3)CC2)c1 ZINC000055016614 654767463 /nfs/dbraw/zinc/76/74/63/654767463.db2.gz DGHBCSBCDIEABW-UHFFFAOYSA-N 1 0 394.273 2.638 20 0 GFADRO CCCN(C1CC[NH2+]CC1)S(=O)(=O)c1ccc(F)c(Br)c1 ZINC000125110578 654788060 /nfs/dbraw/zinc/78/80/60/654788060.db2.gz LJJALGXOPHBWEH-UHFFFAOYSA-N 1 0 379.295 2.741 20 0 GFADRO COC(=O)c1sccc1S(=O)(=O)NCC1CC[NH+](CCC(C)C)CC1 ZINC000125848520 654803686 /nfs/dbraw/zinc/80/36/86/654803686.db2.gz JLNUXBWEIRUILZ-UHFFFAOYSA-N 1 0 388.555 2.571 20 0 GFADRO CCS(=O)(=O)N(C)CCC[NH2+][C@H](C)c1ccc(Br)cc1F ZINC000125924364 654805433 /nfs/dbraw/zinc/80/54/33/654805433.db2.gz CFSZYUHVQWURPW-LLVKDONJSA-N 1 0 381.311 2.910 20 0 GFADRO CC[NH+](CC)[C@H](C)CNC(=O)NCc1cn2cc(Br)ccc2n1 ZINC000057343697 654805802 /nfs/dbraw/zinc/80/58/02/654805802.db2.gz JNMTXERQRQYGSY-GFCCVEGCSA-N 1 0 382.306 2.626 20 0 GFADRO O=C(NC1CC[NH+](CCOc2ccc(Br)cc2)CC1)[C@H]1CCCO1 ZINC000126608847 654816268 /nfs/dbraw/zinc/81/62/68/654816268.db2.gz LEGWEYZJXXSOEU-QGZVFWFLSA-N 1 0 397.313 2.588 20 0 GFADRO CC[N@@H+](Cc1cc(Br)ccc1F)C[C@@H](O)COC[C@H]1CCCO1 ZINC000058397310 654817708 /nfs/dbraw/zinc/81/77/08/654817708.db2.gz NDWWAXITBUOAJS-HZPDHXFCSA-N 1 0 390.293 2.967 20 0 GFADRO CC[N@@H+]1CC[C@@H](CNC(=O)c2cnn(-c3ccc(Br)cc3)c2)C1 ZINC000058923100 654824055 /nfs/dbraw/zinc/82/40/55/654824055.db2.gz NGKHDIRMCIAQCP-ZDUSSCGKSA-N 1 0 377.286 2.706 20 0 GFADRO C[NH+]1CCN(c2ccc(CNC(=O)c3csc(Br)c3)cn2)CC1 ZINC000061422620 654839269 /nfs/dbraw/zinc/83/92/69/654839269.db2.gz FMXBUAFQSYKBNP-UHFFFAOYSA-N 1 0 395.326 2.587 20 0 GFADRO C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000061604356 654840804 /nfs/dbraw/zinc/84/08/04/654840804.db2.gz NIRIEBZPZMWTBV-GFCCVEGCSA-N 1 0 384.307 2.808 20 0 GFADRO C[NH+](C)[C@H]1CC[C@@H](NC(=O)C2CCN(C(=O)c3ccc(Cl)s3)CC2)C1 ZINC000128409491 654846166 /nfs/dbraw/zinc/84/61/66/654846166.db2.gz RGBPLAJWMVVMAY-KGLIPLIRSA-N 1 0 383.945 2.853 20 0 GFADRO CC[NH+](CC)[C@@H]1CCN(S(=O)(=O)c2ccc(Br)c(C)c2)C1 ZINC000062983937 654848433 /nfs/dbraw/zinc/84/84/33/654848433.db2.gz DPOPBYYVXQENOB-CYBMUJFWSA-N 1 0 375.332 2.862 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CCCCN1S(=O)(=O)c1ccc(Br)cc1Cl ZINC000063193883 654850238 /nfs/dbraw/zinc/85/02/38/654850238.db2.gz PVAGFSHEDWGZMN-SKDRFNHKSA-N 1 0 381.723 2.993 20 0 GFADRO O=C(c1cccc(I)c1)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000063199060 654850546 /nfs/dbraw/zinc/85/05/46/654850546.db2.gz NOUIRKJHWUYPEJ-OAHLLOKOSA-N 1 0 384.261 2.895 20 0 GFADRO C[NH+](C)C[C@@H]1CCCCN1C(=O)Cc1ccccc1I ZINC000128848078 654852853 /nfs/dbraw/zinc/85/28/53/654852853.db2.gz NQNLKJXOMXEELM-AWEZNQCLSA-N 1 0 386.277 2.776 20 0 GFADRO O=C(CSCc1cscn1)NC1CC[NH+](CCc2ccncc2)CC1 ZINC000128857742 654853106 /nfs/dbraw/zinc/85/31/06/654853106.db2.gz BTDCZRJSFDCOFY-UHFFFAOYSA-N 1 0 376.551 2.595 20 0 GFADRO COCCn1cc(C[NH2+]C[C@@H]2CCN(c3ccc(Br)cc3)C2)cn1 ZINC000266211352 654863431 /nfs/dbraw/zinc/86/34/31/654863431.db2.gz OFZYURHICGSPEU-HNNXBMFYSA-N 1 0 393.329 2.908 20 0 GFADRO NC(=O)c1csc(C(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)c1 ZINC000129639553 654869641 /nfs/dbraw/zinc/86/96/41/654869641.db2.gz RAJHFAOKEURNJC-UHFFFAOYSA-N 1 0 375.519 2.691 20 0 GFADRO [NH3+]C1(CNC(=O)c2cc(Br)cnc2Br)CCCCC1 ZINC000911652283 664251516 /nfs/dbraw/zinc/25/15/16/664251516.db2.gz OONVBSBXTUBEPX-UHFFFAOYSA-N 1 0 391.107 2.998 20 0 GFADRO C[NH+](C)C[C@H]1CCN(C(=O)N[C@@H]2CCN(c3ccc(Br)cc3)C2)C1 ZINC000129880463 654876026 /nfs/dbraw/zinc/87/60/26/654876026.db2.gz VSOQDAOGUOQRGB-GDBMZVCRSA-N 1 0 395.345 2.621 20 0 GFADRO CC[NH2+]CC1CCN(S(=O)(=O)c2ccc(Br)c(C)c2)CC1 ZINC000129964407 654879003 /nfs/dbraw/zinc/87/90/03/654879003.db2.gz NHBIQFHRXAJRIZ-UHFFFAOYSA-N 1 0 375.332 2.768 20 0 GFADRO C[NH+](C)CCn1ccc2ccc(NC(=O)Cn3cc(Br)cn3)cc21 ZINC000266633208 654887607 /nfs/dbraw/zinc/88/76/07/654887607.db2.gz AYCRQZZWRKZRBU-UHFFFAOYSA-N 1 0 390.285 2.801 20 0 GFADRO COC(=O)C1CC[NH+](CCCNC(=O)c2ccc(C)c(Br)c2)CC1 ZINC000266927634 654899542 /nfs/dbraw/zinc/89/95/42/654899542.db2.gz LCYQCULHRUKSCH-UHFFFAOYSA-N 1 0 397.313 2.762 20 0 GFADRO C[N@H+](CCOC(=O)c1ccc(I)cn1)Cc1ccccc1 ZINC000838324785 661040623 /nfs/dbraw/zinc/04/06/23/661040623.db2.gz GBZWHWRXRNTOMO-UHFFFAOYSA-N 1 0 396.228 2.975 20 0 GFADRO CC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H]2C[NH+]2CCCC2)cc1Cl ZINC000267213143 654917752 /nfs/dbraw/zinc/91/77/52/654917752.db2.gz OTMJYYREAGDTAU-AWEZNQCLSA-N 1 0 385.917 2.547 20 0 GFADRO C[N@H+](CCCS(N)(=O)=O)[C@H]1CCSc2ccc(Br)cc21 ZINC000067117335 654930134 /nfs/dbraw/zinc/93/01/34/654930134.db2.gz ZJVXIXAWFQESCL-LBPRGKRZSA-N 1 0 379.345 2.596 20 0 GFADRO CC(C)[C@@H](CNC(=O)c1cc(Br)cn1C(C)C)[NH+]1CCN(C)CC1 ZINC000132386315 654936256 /nfs/dbraw/zinc/93/62/56/654936256.db2.gz CGLLJMBJSFKCFO-QGZVFWFLSA-N 1 0 399.377 2.833 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)NC[C@H](O)C[NH+]1CCC(C)CC1 ZINC000067537461 654940666 /nfs/dbraw/zinc/94/06/66/654940666.db2.gz VCWQPNGIGRLHBE-HNNXBMFYSA-N 1 0 384.318 2.972 20 0 GFADRO CCS(=O)(=O)N(C)CCC[NH2+][C@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000132543886 654940808 /nfs/dbraw/zinc/94/08/08/654940808.db2.gz AGIBUKBERPUFLE-AWEZNQCLSA-N 1 0 379.448 2.739 20 0 GFADRO CCSCC[C@H](C)[N@H+](C)CC(=O)Nc1cc(-n2cnnn2)ccc1Cl ZINC000132649580 654944886 /nfs/dbraw/zinc/94/48/86/654944886.db2.gz LBFCHOAFSOEBQB-LBPRGKRZSA-N 1 0 382.921 2.718 20 0 GFADRO C[C@@H]1C[N@@H+](CCCNC(=O)c2cccnc2SC(F)(F)F)C[C@H](C)O1 ZINC000067839974 654946162 /nfs/dbraw/zinc/94/61/62/654946162.db2.gz JWMRDAMKWFFBTR-TXEJJXNPSA-N 1 0 377.432 2.923 20 0 GFADRO O=S(=O)(c1cc(Br)ccc1Cl)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000067950259 654950152 /nfs/dbraw/zinc/95/01/52/654950152.db2.gz ULOVYRDZCIQNBJ-LBPRGKRZSA-N 1 0 393.734 2.961 20 0 GFADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NS(=O)(=O)c1ccc(Cl)nc1 ZINC000068038710 654952409 /nfs/dbraw/zinc/95/24/09/654952409.db2.gz AGAYBECLLKPWTC-UHFFFAOYSA-N 1 0 380.901 2.596 20 0 GFADRO C[C@@H](CNC(=O)[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)[NH+]1CCCC1 ZINC000068064413 654953004 /nfs/dbraw/zinc/95/30/04/654953004.db2.gz OZACCAQHQREOMH-GXTWGEPZSA-N 1 0 384.307 2.947 20 0 GFADRO COC1CC[NH+](CCNC(=O)CCCc2ccccc2Br)CC1 ZINC000133064596 654953908 /nfs/dbraw/zinc/95/39/08/654953908.db2.gz QZFQIJBUOPZSSX-UHFFFAOYSA-N 1 0 383.330 2.999 20 0 GFADRO C[NH+](C)Cc1ccsc1C(=O)N1CCC(NC(=O)c2ccsc2)CC1 ZINC000268001682 654955614 /nfs/dbraw/zinc/95/56/14/654955614.db2.gz DBVMYINPVHZTFV-UHFFFAOYSA-N 1 0 377.535 2.906 20 0 GFADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)Nc1ccc(F)cc1Br ZINC000133241170 654957746 /nfs/dbraw/zinc/95/77/46/654957746.db2.gz LWDAWZQRULWQKO-OLZOCXBDSA-N 1 0 398.276 2.612 20 0 GFADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)Nc1ccc(F)c(Br)c1 ZINC000133264252 654958580 /nfs/dbraw/zinc/95/85/80/654958580.db2.gz KFPTYEYSUUOWCJ-OLZOCXBDSA-N 1 0 398.276 2.612 20 0 GFADRO C[NH2+][C@H]1CCCN(C(=O)c2ccc(I)cc2Cl)C1 ZINC000133359178 654961576 /nfs/dbraw/zinc/96/15/76/654961576.db2.gz NLYPYKXCAUALOE-JTQLQIEISA-N 1 0 378.641 2.769 20 0 GFADRO C[NH+](C)C[C@H]1CCCN1C(=O)c1cnn(-c2cccc(Br)c2)c1 ZINC000268203352 654963230 /nfs/dbraw/zinc/96/32/30/654963230.db2.gz UKDSMXPDHVOCIA-MRXNPFEDSA-N 1 0 377.286 2.801 20 0 GFADRO CCS(=O)(=O)NCCC[N@@H+]1CCC[C@H]1c1ccccc1Br ZINC000133613903 654968664 /nfs/dbraw/zinc/96/86/64/654968664.db2.gz PJVIEFAQBZYHBM-HNNXBMFYSA-N 1 0 375.332 2.915 20 0 GFADRO O=C(CN1CCC(C[NH+]2CCOCC2)CC1)Nc1cc(Cl)ccc1Cl ZINC000069030039 654971587 /nfs/dbraw/zinc/97/15/87/654971587.db2.gz BCUBBNVAMUJRQG-UHFFFAOYSA-N 1 0 386.323 2.976 20 0 GFADRO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)N(CCO)Cc1ccc(Cl)c(Cl)c1 ZINC000133983354 654979335 /nfs/dbraw/zinc/97/93/35/654979335.db2.gz QVJKXBDPENYOKO-OAHLLOKOSA-N 1 0 386.323 2.982 20 0 GFADRO C[NH2+][C@H]1CCCN(C(=O)[C@@H](CCOC)Cc2cccc(Br)c2)C1 ZINC000134033924 654981227 /nfs/dbraw/zinc/98/12/27/654981227.db2.gz ZTNMBHMZJDVEQN-RDJZCZTQSA-N 1 0 383.330 2.855 20 0 GFADRO CC(C)C(=O)N1CCC[N@H+](C[C@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000069609086 654984085 /nfs/dbraw/zinc/98/40/85/654984085.db2.gz ZXYNPTRYLTUOQE-HNNXBMFYSA-N 1 0 389.323 2.923 20 0 GFADRO CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccc(Br)cc2CC)C1 ZINC000268719446 654984349 /nfs/dbraw/zinc/98/43/49/654984349.db2.gz CIJLQAUUENVZAQ-CYBMUJFWSA-N 1 0 396.329 2.798 20 0 GFADRO CCS(=O)(=O)N1CCC([NH2+][C@H]2CCc3cc(Br)ccc32)CC1 ZINC000268746891 654985372 /nfs/dbraw/zinc/98/53/72/654985372.db2.gz FZHFGFZXWSTREH-INIZCTEOSA-N 1 0 387.343 2.840 20 0 GFADRO COc1ccc(C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)cc1Br ZINC000069710037 654985533 /nfs/dbraw/zinc/98/55/33/654985533.db2.gz FFACNYNEBKZKTN-CQSZACIVSA-N 1 0 397.313 2.642 20 0 GFADRO COCC[N@H+](C)CCCNC(=O)N[C@@H]1CCc2c1cccc2Br ZINC000069773557 654986389 /nfs/dbraw/zinc/98/63/89/654986389.db2.gz KHQNTUUDSKCEJZ-MRXNPFEDSA-N 1 0 384.318 2.704 20 0 GFADRO O=C(NCCCC[NH+]1CCOCC1)N[C@H]1CCc2c1cccc2Br ZINC000069770295 654986449 /nfs/dbraw/zinc/98/64/49/654986449.db2.gz VAWOFGWVGPBZFL-KRWDZBQOSA-N 1 0 396.329 2.848 20 0 GFADRO C[C@@H](Cn1cc(Br)cn1)[NH2+]Cc1cccc(C(=O)NC2CC2)c1 ZINC000268877834 654990073 /nfs/dbraw/zinc/99/00/73/654990073.db2.gz ZHIFJGSNLAICEV-LBPRGKRZSA-N 1 0 377.286 2.716 20 0 GFADRO CCOC(=O)C1(NC(=O)COc2ccc(Cl)cc2Cl)CC[NH+](C)CC1 ZINC000134323228 654990785 /nfs/dbraw/zinc/99/07/85/654990785.db2.gz SGTSTKFYQJKQNW-UHFFFAOYSA-N 1 0 389.279 2.516 20 0 GFADRO CC1(C)NC(=O)N(CCC[NH2+][C@H]2CCOc3c(Br)cccc32)C1=O ZINC000268928035 654991547 /nfs/dbraw/zinc/99/15/47/654991547.db2.gz YRKNHSYUKHWWES-ZDUSSCGKSA-N 1 0 396.285 2.583 20 0 GFADRO C[NH+](C)CC(C)(C)CNC(=O)/C=C/c1ccc(I)o1 ZINC000070671166 654993184 /nfs/dbraw/zinc/99/31/84/654993184.db2.gz IUYZGRJDFNJSSC-SOFGYWHQSA-N 1 0 376.238 2.601 20 0 GFADRO COc1ccc([C@H](C)[NH2+][C@@H]2CCCN(S(C)(=O)=O)C2)cc1Br ZINC000268976278 654993834 /nfs/dbraw/zinc/99/38/34/654993834.db2.gz GTVGRIOAGAZWFW-WCQYABFASA-N 1 0 391.331 2.532 20 0 GFADRO CN([C@H]1CC[NH2+]C1)S(=O)(=O)c1c(Cl)cc(Br)cc1Cl ZINC000071310272 654999786 /nfs/dbraw/zinc/99/97/86/654999786.db2.gz OPTIZBVZLMHIIF-QMMMGPOBSA-N 1 0 388.114 2.738 20 0 GFADRO C[C@@H]1CN(C(=O)c2ccc(I)cc2Cl)CC[C@@H]1[NH3+] ZINC000269178237 655000667 /nfs/dbraw/zinc/00/06/67/655000667.db2.gz CIFXMDLFFWYZGD-PELKAZGASA-N 1 0 378.641 2.754 20 0 GFADRO O=C(NCC[C@H]1CC[NH2+]C1)C1(c2ccc(Br)cc2)CCOCC1 ZINC000269174904 655000672 /nfs/dbraw/zinc/00/06/72/655000672.db2.gz LSNHRHUEKQXGEP-CQSZACIVSA-N 1 0 381.314 2.613 20 0 GFADRO Cc1c(C(=O)N2CC[C@H]([NH3+])[C@@H](C)C2)cnn1-c1ccc(Br)cc1 ZINC000269218547 655001909 /nfs/dbraw/zinc/00/19/09/655001909.db2.gz QJMYZOSARRTJKI-ZBEGNZNMSA-N 1 0 377.286 2.753 20 0 GFADRO C[NH+](C)[C@@H]1CCN(c2ccc(NC(=O)c3occc3Br)nc2)C1 ZINC000269470712 655010482 /nfs/dbraw/zinc/01/04/82/655010482.db2.gz YSDRPQPLNTXYMY-GFCCVEGCSA-N 1 0 379.258 2.830 20 0 GFADRO C[C@@H]1C[NH+](CCCNc2cc(Br)cc(F)c2C(N)=O)C[C@@H](C)O1 ZINC000092827915 655015782 /nfs/dbraw/zinc/01/57/82/655015782.db2.gz GEZZQFPKANPDML-GHMZBOCLSA-N 1 0 388.281 2.598 20 0 GFADRO COCCC[NH+]1CCC(Nc2cc(Br)cc(F)c2C(N)=O)CC1 ZINC000092829655 655015851 /nfs/dbraw/zinc/01/58/51/655015851.db2.gz YNDHIFRVHRPVRN-UHFFFAOYSA-N 1 0 388.281 2.600 20 0 GFADRO COCC[N@H+](CCO)Cc1cc(Br)ccc1OCc1ccccn1 ZINC000093005501 655016725 /nfs/dbraw/zinc/01/67/25/655016725.db2.gz CADCVQMATOFSAD-UHFFFAOYSA-N 1 0 395.297 2.864 20 0 GFADRO C[NH+](C)[C@H]1CC[C@@H](NC(=O)c2cn(-c3ccc(Br)cc3)cn2)C1 ZINC000093987476 655025615 /nfs/dbraw/zinc/02/56/15/655025615.db2.gz MHMIDFFHPDOXBW-HIFRSBDPSA-N 1 0 377.286 2.847 20 0 GFADRO O[C@@H](C[NH2+]CCc1cccc(Br)c1)COc1ccc2c(c1)OCO2 ZINC000136364218 655030638 /nfs/dbraw/zinc/03/06/38/655030638.db2.gz HECYNXJJCPMQRH-HNNXBMFYSA-N 1 0 394.265 2.750 20 0 GFADRO Cc1ccc(C(=O)NCC2([NH+]3CCCC3)CCOCC2)c(Br)n1 ZINC000270043046 655032179 /nfs/dbraw/zinc/03/21/79/655032179.db2.gz JZJULLHEWGHCFF-UHFFFAOYSA-N 1 0 382.302 2.527 20 0 GFADRO CN(Cc1c(F)cccc1Cl)S(=O)(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000096997882 655033076 /nfs/dbraw/zinc/03/30/76/655033076.db2.gz NYMVRKKRDFYZIO-UHFFFAOYSA-N 1 0 389.924 2.716 20 0 GFADRO CN(CCN(C)S(=O)(=O)/C=C/c1ccc(Cl)cc1)C1CC[NH+](C)CC1 ZINC000097000282 655033115 /nfs/dbraw/zinc/03/31/15/655033115.db2.gz DCANMIWLUXRJOK-XNTDXEJSSA-N 1 0 385.961 2.598 20 0 GFADRO CCO[C@@H]1CCC[N@H+](CC(=O)N(C)CCOc2ccc(Br)cc2)C1 ZINC000097592991 655036742 /nfs/dbraw/zinc/03/67/42/655036742.db2.gz IVEQYKJECJERTK-QGZVFWFLSA-N 1 0 399.329 2.787 20 0 GFADRO C[C@H]([NH2+]C[C@H]1CN2CCC[C@@H]2CO1)c1ccc(I)cc1 ZINC000097996878 655038290 /nfs/dbraw/zinc/03/82/90/655038290.db2.gz DIRQIIYWOLHFMP-MAZHCROVSA-N 1 0 386.277 2.805 20 0 GFADRO COCC[NH+]1CCC(NCc2cn(-c3ccc(Cl)cc3Cl)nn2)CC1 ZINC000270241121 655038330 /nfs/dbraw/zinc/03/83/30/655038330.db2.gz QBSWTYPJCKVPBW-UHFFFAOYSA-N 1 0 384.311 2.775 20 0 GFADRO C[NH+](C)CCn1cc(NC(=O)c2ccc(Br)cc2F)ccc1=O ZINC000270243887 655038536 /nfs/dbraw/zinc/03/85/36/655038536.db2.gz PITYBEAOIOGMEK-UHFFFAOYSA-N 1 0 382.233 2.564 20 0 GFADRO C[NH+]1CCC(CNC(=O)[C@]23CCC(=O)N2c2cc(Cl)ccc2S3)CC1 ZINC000101522431 655042366 /nfs/dbraw/zinc/04/23/66/655042366.db2.gz YUABFRHIJFOGNC-GOSISDBHSA-N 1 0 379.913 2.727 20 0 GFADRO COC[C@@H](C)NC(=O)NC(=O)C[NH2+]C(C)(C)c1ccc(Cl)c(Cl)c1 ZINC000101549881 655043532 /nfs/dbraw/zinc/04/35/32/655043532.db2.gz IOXTVYDSYWPNMN-SNVBAGLBSA-N 1 0 376.284 2.679 20 0 GFADRO COCCS(=O)(=O)N(CCC[NH+](C)C)Cc1ccc(Cl)c(Cl)c1 ZINC000101574452 655044647 /nfs/dbraw/zinc/04/46/47/655044647.db2.gz MGEFLLUTUGWYPY-UHFFFAOYSA-N 1 0 383.341 2.723 20 0 GFADRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)CCn1cc(Br)ccc1=O ZINC000101961146 655049039 /nfs/dbraw/zinc/04/90/39/655049039.db2.gz GCRMDXCYMCGZPT-MRXNPFEDSA-N 1 0 398.345 2.772 20 0 GFADRO CC(C)[N@H+](C)CCNC(=O)Nc1cc(Br)ccc1N1CCOCC1 ZINC000102061180 655050309 /nfs/dbraw/zinc/05/03/09/655050309.db2.gz VOHNXKKHUCPYJL-UHFFFAOYSA-N 1 0 399.333 2.747 20 0 GFADRO CN1CC[NH+](CCCCNC(=O)C(C)(C)c2cccc(Br)c2)CC1 ZINC000102488320 655055525 /nfs/dbraw/zinc/05/55/25/655055525.db2.gz CDTCWBMTZAFZHE-UHFFFAOYSA-N 1 0 396.373 2.871 20 0 GFADRO CC[N@H+](CCNC(=O)[C@H]1CCN(c2ccccc2Br)C1=O)C(C)C ZINC000102479785 655055609 /nfs/dbraw/zinc/05/56/09/655055609.db2.gz AJGXOCMQLSIUAK-CQSZACIVSA-N 1 0 396.329 2.649 20 0 GFADRO CCc1nc2c(s1)[C@@H]([N@H+](C)CCc1ccc(S(N)(=O)=O)cc1)CCC2 ZINC000152556339 655059862 /nfs/dbraw/zinc/05/98/62/655059862.db2.gz OYKWPHDHTFGXAR-INIZCTEOSA-N 1 0 379.551 2.905 20 0 GFADRO C[C@@H](NC(=O)NNc1c(Cl)cc(Cl)cc1Cl)[C@H]1CN(C)CCO1 ZINC000152564239 655059914 /nfs/dbraw/zinc/05/99/14/655059914.db2.gz OUDLALZBPJICJT-PRHODGIISA-N 1 0 381.691 2.992 20 0 GFADRO CC(C)N1CC[NH+](C2CCN(C(=O)c3cc(Cl)c(Cl)n3C)CC2)CC1 ZINC000270985719 655062609 /nfs/dbraw/zinc/06/26/09/655062609.db2.gz XSOQXZZUTNSIEW-UHFFFAOYSA-N 1 0 387.355 2.963 20 0 GFADRO O=S(=O)(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1ccc(Cl)nc1 ZINC000103163899 655068664 /nfs/dbraw/zinc/06/86/64/655068664.db2.gz VRLCLAMYJJFPOR-INIZCTEOSA-N 1 0 379.913 2.578 20 0 GFADRO C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1CCC(=O)Nc1ccc(Br)cc1F ZINC000103284496 655070418 /nfs/dbraw/zinc/07/04/18/655070418.db2.gz YGOUTFGOMLDPSR-QWRGUYRKSA-N 1 0 386.265 2.503 20 0 GFADRO COCc1nc2n(n1)C[C@H]([NH2+][C@@H]1CCc3c1cc(Br)cc3F)CC2 ZINC000271456812 655081943 /nfs/dbraw/zinc/08/19/43/655081943.db2.gz GVOBSFKMXJMCFH-IAQYHMDHSA-N 1 0 395.276 2.918 20 0 GFADRO O=S(=O)(NC1CC[NH+](CCCCCn2cccn2)CC1)c1cccs1 ZINC000104664408 655083540 /nfs/dbraw/zinc/08/35/40/655083540.db2.gz ZRZFGCBOOUUUJI-UHFFFAOYSA-N 1 0 382.555 2.558 20 0 GFADRO Cc1ncc([C@H](C)[NH2+]C[C@@H](O)COc2ccccc2Br)c(C)n1 ZINC000271564332 655085770 /nfs/dbraw/zinc/08/57/70/655085770.db2.gz XMMAYLATEVWTDO-SMDDNHRTSA-N 1 0 380.286 2.946 20 0 GFADRO CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+]C[C@](C)(O)C(F)(F)F)cc1 ZINC000271578131 655086293 /nfs/dbraw/zinc/08/62/93/655086293.db2.gz WMKZUMYCAXVDNG-DOMZBBRYSA-N 1 0 382.448 2.681 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N2CCC([NH2+]C(C)C)CC2)c(Br)c1 ZINC000271596376 655087477 /nfs/dbraw/zinc/08/74/77/655087477.db2.gz HLYZBDIEIGAYAL-UHFFFAOYSA-N 1 0 396.329 2.993 20 0 GFADRO CC(C)[N@H+](C)CC(=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000105026433 655088570 /nfs/dbraw/zinc/08/85/70/655088570.db2.gz KIGRXJFMSCAVIF-UHFFFAOYSA-N 1 0 378.826 2.743 20 0 GFADRO CN(C)C(=O)CNC(=O)N(CCC[NH+](C)C)Cc1ccc(Cl)c(Cl)c1 ZINC000105086454 655088960 /nfs/dbraw/zinc/08/89/60/655088960.db2.gz RYTJKHHXSTWMFS-UHFFFAOYSA-N 1 0 389.327 2.545 20 0 GFADRO CC[C@@H]([NH2+][C@H](CC)c1cc(Br)ccc1O)C(=O)N1CCOCC1 ZINC000156281307 655090996 /nfs/dbraw/zinc/09/09/96/655090996.db2.gz WARHRBSEEXXKLQ-HUUCEWRRSA-N 1 0 385.302 2.833 20 0 GFADRO C[C@@H](C[NH2+]C1CCN(C(=O)N(C)C)CC1)Oc1cccc(Br)c1 ZINC000271699801 655091763 /nfs/dbraw/zinc/09/17/63/655091763.db2.gz SHTJJOSOVHDQFT-ZDUSSCGKSA-N 1 0 384.318 2.952 20 0 GFADRO C[NH+](C)C[C@H](Cc1ccccc1)N[C@@H](C(N)=O)c1ccc(Br)cc1 ZINC000105401619 655092534 /nfs/dbraw/zinc/09/25/34/655092534.db2.gz UXPXOMLPSJFGJZ-ZWKOTPCHSA-N 1 0 390.325 2.738 20 0 GFADRO CC[NH+](CC)CCN(CCOC)C(=O)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000105730252 655098289 /nfs/dbraw/zinc/09/82/89/655098289.db2.gz NPIXUABAZQXGJT-UHFFFAOYSA-N 1 0 390.311 2.749 20 0 GFADRO COc1cc(Cl)c(C[NH2+][C@@H]2CCO[C@]3(CCS(=O)(=O)C3)C2)cc1Cl ZINC000271916744 655098478 /nfs/dbraw/zinc/09/84/78/655098478.db2.gz BENKRVDRZYPPMN-MLGOLLRUSA-N 1 0 394.320 2.828 20 0 GFADRO O=S1(=O)CC[C@]2(C1)C[C@@H]([NH2+]Cc1csc(-c3ccsc3)n1)CCO2 ZINC000271971161 655099720 /nfs/dbraw/zinc/09/97/20/655099720.db2.gz HTVADEDPOBVGOF-XJKSGUPXSA-N 1 0 384.548 2.698 20 0 GFADRO C[C@H]([NH2+][C@H]1CCN(c2ccc(Cl)cc2)C1)c1cccc(S(N)(=O)=O)c1 ZINC000272004132 655100484 /nfs/dbraw/zinc/10/04/84/655100484.db2.gz SHHMWLNQSBVKLE-BBRMVZONSA-N 1 0 379.913 2.917 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)[C@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)C1 ZINC000272228010 655106383 /nfs/dbraw/zinc/10/63/83/655106383.db2.gz JKSVDWWGCCFUAP-HWWQOWPSSA-N 1 0 384.307 2.794 20 0 GFADRO Cc1c(C(=O)N2CC[C@H]([C@@H](C)[NH3+])C2)cnn1-c1cccc(Br)c1 ZINC000272221857 655106407 /nfs/dbraw/zinc/10/64/07/655106407.db2.gz ISGQWTGZPHMZLM-YPMHNXCESA-N 1 0 377.286 2.753 20 0 GFADRO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)N1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000272310166 655108556 /nfs/dbraw/zinc/10/85/56/655108556.db2.gz RRXBDJHXDCGUHQ-MNOVXSKESA-N 1 0 379.254 2.673 20 0 GFADRO CN(C(=O)c1cnn(-c2cccc(Br)c2)c1)C1CC[NH+](C)CC1 ZINC000106725424 655110075 /nfs/dbraw/zinc/11/00/75/655110075.db2.gz DGNFCRLBTMGINQ-UHFFFAOYSA-N 1 0 377.286 2.801 20 0 GFADRO Cc1nn(C)c(Cl)c1S(=O)(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000158950110 655110390 /nfs/dbraw/zinc/11/03/90/655110390.db2.gz OUNZQMSSGASPRB-UHFFFAOYSA-N 1 0 388.965 2.659 20 0 GFADRO CC[N@@H+]1CCC[C@H](NC(=O)c2ccn(-c3cccc(Br)c3)n2)C1 ZINC000106773685 655111087 /nfs/dbraw/zinc/11/10/87/655111087.db2.gz PLDULCPVSUJJLY-AWEZNQCLSA-N 1 0 377.286 2.849 20 0 GFADRO CC[NH+]1CCN([C@H]2CCN(C(=O)COc3cc(Cl)ccc3Cl)C2)CC1 ZINC000106799024 655111514 /nfs/dbraw/zinc/11/15/14/655111514.db2.gz BHXIBBXVNDIRGE-HNNXBMFYSA-N 1 0 386.323 2.611 20 0 GFADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)CCCc1ccc(Br)s1 ZINC000106815688 655111801 /nfs/dbraw/zinc/11/18/01/655111801.db2.gz OCLMALVQWLVUSS-CYBMUJFWSA-N 1 0 388.375 2.585 20 0 GFADRO Cc1cc(=O)n2nc(C[N@H+](C)CCc3ccc(Br)cc3)sc2n1 ZINC000106861807 655112648 /nfs/dbraw/zinc/11/26/48/655112648.db2.gz TXLYXMHGEHROEF-UHFFFAOYSA-N 1 0 393.310 2.896 20 0 GFADRO Cc1ccc(C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@H]32)cc1I ZINC000272461142 655113577 /nfs/dbraw/zinc/11/35/77/655113577.db2.gz KJHBVFOEGTXYAF-IUODEOHRSA-N 1 0 384.261 2.766 20 0 GFADRO Cc1ccc(C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)cc1I ZINC000272461144 655113634 /nfs/dbraw/zinc/11/36/34/655113634.db2.gz KJHBVFOEGTXYAF-WFASDCNBSA-N 1 0 384.261 2.766 20 0 GFADRO CS(=O)(=O)Cc1ccc(C[NH2+]C2CCN(CCC(F)(F)F)CC2)cc1 ZINC000272482146 655114590 /nfs/dbraw/zinc/11/45/90/655114590.db2.gz BBTLTKPGZDEJNT-UHFFFAOYSA-N 1 0 378.460 2.738 20 0 GFADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc(I)c(F)c3)[C@@H]2C1 ZINC000272517976 655115369 /nfs/dbraw/zinc/11/53/69/655115369.db2.gz POKXWTYYIQNJRS-QMTHXVAHSA-N 1 0 388.224 2.597 20 0 GFADRO CC[NH+]1CCN([C@H]2CCN(C(=O)Nc3cccc(Br)c3)C2)CC1 ZINC000106937381 655115602 /nfs/dbraw/zinc/11/56/02/655115602.db2.gz FWLFAVXPOQYVQE-INIZCTEOSA-N 1 0 381.318 2.693 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)N1C[C@H](C)[NH2+]C[C@H]1C ZINC000272560197 655116125 /nfs/dbraw/zinc/11/61/25/655116125.db2.gz LQRLRZAMOZDHFI-RRFJBIMHSA-N 1 0 384.567 2.560 20 0 GFADRO C[NH+](C)CCOc1cc(CNC(=O)Nc2ccncc2Br)ccn1 ZINC000272637624 655117786 /nfs/dbraw/zinc/11/77/86/655117786.db2.gz CRMNQBFFAOIGCI-UHFFFAOYSA-N 1 0 394.273 2.501 20 0 GFADRO Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+]C1CCN(CCS(C)(=O)=O)CC1 ZINC000159980498 655118156 /nfs/dbraw/zinc/11/81/56/655118156.db2.gz ACBRACKOEVYQKQ-ZDUSSCGKSA-N 1 0 387.615 2.909 20 0 GFADRO O=C(Nc1ccncc1Br)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000272703391 655119836 /nfs/dbraw/zinc/11/98/36/655119836.db2.gz VFQBLFCWXVRDBV-HZPDHXFCSA-N 1 0 397.317 2.734 20 0 GFADRO Cc1cc(NC(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)cnc1Br ZINC000272851452 655123336 /nfs/dbraw/zinc/12/33/36/655123336.db2.gz NSBNCUITWJTGMK-CABCVRRESA-N 1 0 397.317 2.652 20 0 GFADRO CC(C)[NH+](CCSCC(=O)NCc1ccc(S(C)(=O)=O)cc1)C(C)C ZINC000160985628 655125285 /nfs/dbraw/zinc/12/52/85/655125285.db2.gz HKZLFVIGLVMTDS-UHFFFAOYSA-N 1 0 386.583 2.558 20 0 GFADRO O=C(Nc1ccccc1Br)C(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000107872765 655125610 /nfs/dbraw/zinc/12/56/10/655125610.db2.gz IKCFNZGJXRVBCX-AWEZNQCLSA-N 1 0 394.313 2.865 20 0 GFADRO CC[N@@H+]1CC[C@H](CNC(=O)CSc2nnc(-c3ccc(Cl)cc3)o2)C1 ZINC000107887702 655126059 /nfs/dbraw/zinc/12/60/59/655126059.db2.gz FNGIIDQAHWAZME-GFCCVEGCSA-N 1 0 380.901 2.940 20 0 GFADRO CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)C1 ZINC000107895290 655126066 /nfs/dbraw/zinc/12/60/66/655126066.db2.gz SHBQHFVDWMZAHI-OCCSQVGLSA-N 1 0 384.307 2.804 20 0 GFADRO C[N@@H+]1CCCN(C(=O)C(=O)Nc2ccc3cc(Br)ccc3c2)CC1 ZINC000162096235 655129868 /nfs/dbraw/zinc/12/98/68/655129868.db2.gz KQJCLBONHHGAIM-UHFFFAOYSA-N 1 0 390.281 2.705 20 0 GFADRO COCCN1CC[C@@H]([NH2+]C[C@@H]2CCN(c3ccc(Br)cc3)C2)C1 ZINC000273148575 655132383 /nfs/dbraw/zinc/13/23/83/655132383.db2.gz XDFUYEXKRXDPQU-DOTOQJQBSA-N 1 0 382.346 2.586 20 0 GFADRO O=C([C@@H](O)c1cc(Cl)cc(Cl)c1)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000164024598 655136801 /nfs/dbraw/zinc/13/68/01/655136801.db2.gz LGWPDXMGIVSCEW-DYVFJYSZSA-N 1 0 387.307 2.598 20 0 GFADRO COc1cc(Br)c(CNC(=O)CC2CC[NH+](C)CC2)cc1OC ZINC000273281582 655137963 /nfs/dbraw/zinc/13/79/63/655137963.db2.gz WSIIZDIDQSWXNG-UHFFFAOYSA-N 1 0 385.302 2.814 20 0 GFADRO COc1ccc([C@H](C)[NH2+]C2CCN(S(=O)(=O)C(F)(F)F)CC2)cc1F ZINC000168068012 655143078 /nfs/dbraw/zinc/14/30/78/655143078.db2.gz VHFCYEBAYYSVCS-JTQLQIEISA-N 1 0 384.395 2.799 20 0 GFADRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)c2cnn(C)c2Br)CC1 ZINC000273584893 655149605 /nfs/dbraw/zinc/14/96/05/655149605.db2.gz GKQAGKHTXPIGOV-LBPRGKRZSA-N 1 0 392.301 2.533 20 0 GFADRO O=S(=O)(/C=C/c1cccc(Br)c1)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000173022491 655162164 /nfs/dbraw/zinc/16/21/64/655162164.db2.gz NHLDKUNRCURLDB-KGXGESDWSA-N 1 0 385.327 2.824 20 0 GFADRO C[C@H](NC(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1)C(C)(C)C[NH+](C)C ZINC000173054030 655162428 /nfs/dbraw/zinc/16/24/28/655162428.db2.gz RYWFOJXPDKDEBX-NSHDSACASA-N 1 0 380.432 2.686 20 0 GFADRO CC[C@H](C)[C@@H](NC(=O)C[NH2+]C1(c2ccc(Br)cc2)CC1)C(=O)OC ZINC000173273894 655166492 /nfs/dbraw/zinc/16/64/92/655166492.db2.gz ILWOTTUHNMZVGQ-BLLLJJGKSA-N 1 0 397.313 2.732 20 0 GFADRO C[C@@H](O)C1CC[NH+](C[C@H](O)COc2ccc(Cl)cc2Br)CC1 ZINC000111284404 655167725 /nfs/dbraw/zinc/16/77/25/655167725.db2.gz SNCBWAHPNUSZIP-RISCZKNCSA-N 1 0 392.721 2.935 20 0 GFADRO C[N@H+](CCNS(=O)(=O)Cc1ccc(OC(F)(F)F)cc1)C1CCCC1 ZINC000111340686 655169182 /nfs/dbraw/zinc/16/91/82/655169182.db2.gz YFCPUVSSGKSSFJ-UHFFFAOYSA-N 1 0 380.432 2.879 20 0 GFADRO CC[N@@H+]1CCCC[C@@H]1CNS(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1F ZINC000111352856 655170516 /nfs/dbraw/zinc/17/05/16/655170516.db2.gz PHGRQAXCLROZLO-GFCCVEGCSA-N 1 0 391.896 2.590 20 0 GFADRO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)c1cnn(C)c1Br ZINC000274107318 655173183 /nfs/dbraw/zinc/17/31/83/655173183.db2.gz UXMHHNYOKMIDJM-HOCLYGCPSA-N 1 0 389.297 2.939 20 0 GFADRO CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)Nc2ccc(Br)c(C)c2)C1 ZINC000173704730 655176708 /nfs/dbraw/zinc/17/67/08/655176708.db2.gz COHPVKDTKDOWPI-AWEZNQCLSA-N 1 0 382.302 2.639 20 0 GFADRO C[C@@H](NC(=O)NCC1CC[NH+](CCO)CC1)c1ccccc1Br ZINC000111799421 655177404 /nfs/dbraw/zinc/17/74/04/655177404.db2.gz GOGYDFNILHPJKW-CYBMUJFWSA-N 1 0 384.318 2.514 20 0 GFADRO C[C@H](CNC(=O)N[C@H]1CCN(c2ccccc2Br)C1)[N@H+](C)C1CC1 ZINC000111856765 655178256 /nfs/dbraw/zinc/17/82/56/655178256.db2.gz AXHVVOQJIXJLKM-KGLIPLIRSA-N 1 0 395.345 2.810 20 0 GFADRO COCCOCCOCCC[NH2+]Cc1cc(Br)c(OC)s1 ZINC000274384304 655186405 /nfs/dbraw/zinc/18/64/05/655186405.db2.gz JNHGPDNFRRTSCQ-UHFFFAOYSA-N 1 0 382.320 2.679 20 0 GFADRO C[NH+](C)CCn1ccc(NC(=O)NCc2ccc(Br)c(F)c2)n1 ZINC000173933465 655186449 /nfs/dbraw/zinc/18/64/49/655186449.db2.gz MPKPJIQJWVJGGI-UHFFFAOYSA-N 1 0 384.253 2.668 20 0 GFADRO CC[NH+](CC)[C@@H]1CCN(S(=O)(=O)c2ccc(Br)c(F)c2)C1 ZINC000173995652 655188964 /nfs/dbraw/zinc/18/89/64/655188964.db2.gz GOCCBRFGJZMUKX-LLVKDONJSA-N 1 0 379.295 2.693 20 0 GFADRO O=C(CN1CCc2ccc(Br)cc21)NC1CC[NH+](C2CC2)CC1 ZINC000112360567 655189412 /nfs/dbraw/zinc/18/94/12/655189412.db2.gz YMWSEGMONIDDSR-UHFFFAOYSA-N 1 0 378.314 2.555 20 0 GFADRO CCOC(=O)N1CC[C@H]([NH2+][C@H](C)c2ccc(S(=O)(=O)C(F)F)cc2)C1 ZINC000274581506 655193760 /nfs/dbraw/zinc/19/37/60/655193760.db2.gz CKVTYPOPIMDOTI-YPMHNXCESA-N 1 0 376.425 2.564 20 0 GFADRO CCC[NH+]1CCN(c2ccc(NC(=O)[C@H]3CSC(=O)N3)cc2Cl)CC1 ZINC000174246185 655195216 /nfs/dbraw/zinc/19/52/16/655195216.db2.gz PCHSJRZHBSOECV-CQSZACIVSA-N 1 0 382.917 2.636 20 0 GFADRO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)c2ccc(Br)s2)C1 ZINC000839697410 661100422 /nfs/dbraw/zinc/10/04/22/661100422.db2.gz YPCVSTLKNBZHOZ-LBPRGKRZSA-N 1 0 385.327 2.884 20 0 GFADRO C[N@H+]1[C@@H]2CC[C@H]1CCN(C(=O)Nc1cccc(I)c1)C2 ZINC000174754599 655207708 /nfs/dbraw/zinc/20/77/08/655207708.db2.gz HYXJVVGXVPQQLW-UONOGXRCSA-N 1 0 385.249 2.992 20 0 GFADRO C[NH+]1CCC(C(=O)NC[C@H]2CCN(c3cccc(Br)c3)C2)CC1 ZINC000174759316 655207907 /nfs/dbraw/zinc/20/79/07/655207907.db2.gz HZTJDKYZUZSWQJ-CQSZACIVSA-N 1 0 380.330 2.733 20 0 GFADRO O=C(NCC[NH+]1CCCCCC1)c1csc(I)c1 ZINC000113427781 655210394 /nfs/dbraw/zinc/21/03/94/655210394.db2.gz JFPBYYDWSAEZNH-UHFFFAOYSA-N 1 0 378.279 2.959 20 0 GFADRO CS(=O)(=O)CC1(C[NH2+]Cc2cc(Cl)ccc2OC[C@H]2CCCO2)CC1 ZINC000174941452 655210961 /nfs/dbraw/zinc/21/09/61/655210961.db2.gz SCGDJVWSPLSFFP-MRXNPFEDSA-N 1 0 387.929 2.812 20 0 GFADRO C[C@@H]([NH2+][C@H](C)c1cn[nH]c1)C(=O)Nc1cccc(I)c1 ZINC000275181310 655221479 /nfs/dbraw/zinc/22/14/79/655221479.db2.gz NCAHPBFYWMNFQF-NXEZZACHSA-N 1 0 384.221 2.692 20 0 GFADRO C[C@@H](CNC(=O)c1cnc(-c2ccccc2Cl)s1)N1CC[NH+](C)CC1 ZINC000114385272 655222962 /nfs/dbraw/zinc/22/29/62/655222962.db2.gz XWZGNSZWPWTQKI-ZDUSSCGKSA-N 1 0 378.929 2.829 20 0 GFADRO O=C(NCCCC[NH+]1CCN(CCO)CC1)Nc1cc(Cl)ccc1Cl ZINC000114512568 655225620 /nfs/dbraw/zinc/22/56/20/655225620.db2.gz HOGVRNXUHGVZDL-UHFFFAOYSA-N 1 0 389.327 2.505 20 0 GFADRO C[C@@H](CNC(=O)N1CC[C@H](C[NH+](C)C)C1)Oc1cccc(Br)c1 ZINC000275364359 655232125 /nfs/dbraw/zinc/23/21/25/655232125.db2.gz XVBMBSLGNWZDJB-UONOGXRCSA-N 1 0 384.318 2.810 20 0 GFADRO C[C@H](NC(=O)NCC(=O)Nc1ccc(Br)cc1)C(C)(C)C[NH+](C)C ZINC000176025345 655232157 /nfs/dbraw/zinc/23/21/57/655232157.db2.gz ZIDZGTPDWJJOTN-LBPRGKRZSA-N 1 0 399.333 2.663 20 0 GFADRO CC[NH+]1CCN([C@@H](C)CNC(=O)CCc2ccc(Br)c(C)c2)CC1 ZINC000176069331 655233489 /nfs/dbraw/zinc/23/34/89/655233489.db2.gz FCGTVABASXYDIR-INIZCTEOSA-N 1 0 396.373 2.832 20 0 GFADRO O[C@H](c1ncc[nH]1)C1CC[NH+](CCOc2cccc(Br)c2)CC1 ZINC000839574290 661092994 /nfs/dbraw/zinc/09/29/94/661092994.db2.gz AXGWYQBDOQGBQW-INIZCTEOSA-N 1 0 380.286 2.997 20 0 GFADRO CCCC[NH+]1CCC(NC(=O)c2cc(I)c[nH]2)CC1 ZINC000115377622 655236537 /nfs/dbraw/zinc/23/65/37/655236537.db2.gz AGYYXBHKEKXTFT-UHFFFAOYSA-N 1 0 375.254 2.614 20 0 GFADRO CC1CC[NH+]([C@@H](CNC(=O)NC[C@]2(O)CCSC2)c2cccs2)CC1 ZINC000176150521 655237413 /nfs/dbraw/zinc/23/74/13/655237413.db2.gz GZOXWOAUGOTYOQ-MAUKXSAKSA-N 1 0 383.583 2.688 20 0 GFADRO CC[NH+](CC)[C@H](CNC(=O)NC[C@]1(O)CCSC1)c1ccccc1Cl ZINC000176150645 655237447 /nfs/dbraw/zinc/23/74/47/655237447.db2.gz CTHVYRQLSYZJTB-SJLPKXTDSA-N 1 0 385.961 2.890 20 0 GFADRO COc1ccc(NC(=O)c2ccn([C@H]3CCC[NH2+]C3)n2)cc1Br ZINC000275529479 655240240 /nfs/dbraw/zinc/24/02/40/655240240.db2.gz FRFLBTUNODDBCU-LBPRGKRZSA-N 1 0 379.258 2.831 20 0 GFADRO C[C@H]1CCC[C@@](CNC(=O)CS(=O)(=O)c2ccc(Cl)cc2)([NH+](C)C)C1 ZINC000115667408 655241226 /nfs/dbraw/zinc/24/12/26/655241226.db2.gz WQDJQSCNGPYKGE-KBXCAEBGSA-N 1 0 386.945 2.740 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H](NC(=O)[C@@H]2CCCN2C(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000275757951 655249866 /nfs/dbraw/zinc/24/98/66/655249866.db2.gz MAUBREHBCXCHNK-IOASZLSFSA-N 1 0 384.307 2.984 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H](NC(=O)CCC[S@](=O)c2ccc(Br)cc2)C1 ZINC000275803049 655251793 /nfs/dbraw/zinc/25/17/93/655251793.db2.gz TZSFZIPLPWLFBN-SOHPYSCWSA-N 1 0 387.343 2.723 20 0 GFADRO C[C@@H](NC(=O)C(=O)Nc1nc(-c2cccs2)cs1)C1=CC[N@H+](C)CC1 ZINC000275955650 655256538 /nfs/dbraw/zinc/25/65/38/655256538.db2.gz BXMQWQHAEKMLPU-LLVKDONJSA-N 1 0 376.507 2.577 20 0 GFADRO Cc1cc(N2CCC([NH2+]Cc3c(Cl)cccc3S(C)(=O)=O)CC2)n[nH]1 ZINC000275963777 655256735 /nfs/dbraw/zinc/25/67/35/655256735.db2.gz GPFQQWPIMXIWAU-UHFFFAOYSA-N 1 0 382.917 2.534 20 0 GFADRO CC(C)(C)[S@@](=O)CCNC(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000116951818 655257247 /nfs/dbraw/zinc/25/72/47/655257247.db2.gz XFAKBGBZFBXHGT-ODCWNRFASA-N 1 0 385.599 2.807 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C)C[C@H]1C ZINC000276098413 655262174 /nfs/dbraw/zinc/26/21/74/655262174.db2.gz QJAKFYBSHZTZPJ-WBMJQRKESA-N 1 0 396.329 2.749 20 0 GFADRO Cc1c(Br)cccc1NC(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000176955948 655263782 /nfs/dbraw/zinc/26/37/82/655263782.db2.gz ZVVWYSWWRVBJID-AWEZNQCLSA-N 1 0 382.302 2.944 20 0 GFADRO O=C(C[C@H](O)c1cc(Cl)cc(Cl)c1)NCCCC[NH+]1CCOCC1 ZINC000177070727 655266930 /nfs/dbraw/zinc/26/69/30/655266930.db2.gz VIWFDLQXIDYILT-INIZCTEOSA-N 1 0 375.296 2.646 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)c2ccn(-c3cccc(Br)c3)n2)C[N@@H+]1C1CC1 ZINC000177074194 655267288 /nfs/dbraw/zinc/26/72/88/655267288.db2.gz HDTSCWYSGHMHCI-TZMCWYRMSA-N 1 0 389.297 2.990 20 0 GFADRO CC[C@@H](C)[NH+]1CCN(C(=O)CCN2C(=S)N=NC2c2cccs2)CC1 ZINC000839788162 661106998 /nfs/dbraw/zinc/10/69/98/661106998.db2.gz ZMMZOTWKARHWDH-CYBMUJFWSA-N 1 0 379.555 2.628 20 0 GFADRO C[NH+](C)C1CCN(CCNC(=O)Cc2csc(-c3cccs3)n2)CC1 ZINC000177121295 655269336 /nfs/dbraw/zinc/26/93/36/655269336.db2.gz IOYZZVSPCMOZDG-UHFFFAOYSA-N 1 0 378.567 2.556 20 0 GFADRO C[NH+](C)C1CCN(CCNC(=O)CCc2cc(Br)cs2)CC1 ZINC000177129658 655269542 /nfs/dbraw/zinc/26/95/42/655269542.db2.gz MVUTZVJVQLUHHN-UHFFFAOYSA-N 1 0 388.375 2.585 20 0 GFADRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)Nc1ccc(Br)cc1C ZINC000118126584 655272177 /nfs/dbraw/zinc/27/21/77/655272177.db2.gz QMUFSBRGZAGVCJ-CQSZACIVSA-N 1 0 382.302 2.687 20 0 GFADRO C[NH+](C)C1CCN(C(=O)Nc2ccc(F)cc2I)CC1 ZINC000177283087 655273000 /nfs/dbraw/zinc/27/30/00/655273000.db2.gz FGUWCJYDLDEHPW-UHFFFAOYSA-N 1 0 391.228 2.988 20 0 GFADRO CCS(=O)(=O)c1c(Cl)cccc1C[NH2+][C@@H](CO)Cc1ccc(F)cc1 ZINC000276596406 655280343 /nfs/dbraw/zinc/28/03/43/655280343.db2.gz AWOGLXXHURFGBW-MRXNPFEDSA-N 1 0 385.888 2.966 20 0 GFADRO C[C@H]1CCC[N@@H+]1C1CCN([C@H](C(N)=O)c2cccc(Br)c2)CC1 ZINC000118974007 655285258 /nfs/dbraw/zinc/28/52/58/655285258.db2.gz MNOLPKBJORSXJR-GUYCJALGSA-N 1 0 380.330 2.924 20 0 GFADRO O=C(CC[N@@H+]1CCC[C@@H](Cn2ccnn2)C1)Nc1cccc(Br)c1 ZINC000119210677 655293279 /nfs/dbraw/zinc/29/32/79/655293279.db2.gz FKAVWRIJNMQYCH-CQSZACIVSA-N 1 0 392.301 2.781 20 0 GFADRO O=S(=O)(NC[C@@H]1CC[N@@H+](C2CC2)C1)c1cccc(Cl)c1Br ZINC000276981015 655296500 /nfs/dbraw/zinc/29/65/00/655296500.db2.gz YKJKXVZNFOCTCU-JTQLQIEISA-N 1 0 393.734 2.865 20 0 GFADRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)Cc2ccccc2I)C1 ZINC000119313054 655298129 /nfs/dbraw/zinc/29/81/29/655298129.db2.gz RANOQLZCUASRFU-KBPBESRZSA-N 1 0 386.277 2.823 20 0 GFADRO C[NH+](C)[C@@H]1CCCN(C(=O)Nc2ccc(NS(C)(=O)=O)c(Cl)c2)CC1 ZINC000277058285 655300808 /nfs/dbraw/zinc/30/08/08/655300808.db2.gz JENHYRGPDUQDHH-CYBMUJFWSA-N 1 0 388.921 2.660 20 0 GFADRO C[NH+]1CCN(c2cc(-c3nc(-c4ccc(Br)o4)no3)ccn2)CC1 ZINC000178264992 655300878 /nfs/dbraw/zinc/30/08/78/655300878.db2.gz HIFDGSGRKMUMGU-UHFFFAOYSA-N 1 0 390.241 2.906 20 0 GFADRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2csc(I)c2)C1 ZINC000119374239 655301534 /nfs/dbraw/zinc/30/15/34/655301534.db2.gz GWAWKKKMTDDNFG-PWSUYJOCSA-N 1 0 390.290 2.909 20 0 GFADRO CCN(CC)S(=O)(=O)c1ccc(CC[NH2+][C@H]2C[C@@H](C)N(C3CC3)C2)s1 ZINC000119380043 655301767 /nfs/dbraw/zinc/30/17/67/655301767.db2.gz CJORZQNAEMNPKC-CABCVRRESA-N 1 0 385.599 2.536 20 0 GFADRO O=C(Nc1cccc(C(=O)N[C@@H]2CCC[NH2+]C2)c1)c1ccc(Br)o1 ZINC000178390333 655302473 /nfs/dbraw/zinc/30/24/73/655302473.db2.gz HZZVMTGTPQJAMK-CYBMUJFWSA-N 1 0 392.253 2.776 20 0 GFADRO O=C(NCCC[NH+]1CCCC1)C(=O)Nc1ccc(Cl)cc1Br ZINC000178415417 655303379 /nfs/dbraw/zinc/30/33/79/655303379.db2.gz MTFNDTBGVGDDEO-UHFFFAOYSA-N 1 0 388.693 2.643 20 0 GFADRO CC(C)[NH+](CCNC(=O)NCc1ccc(S(C)(=O)=O)c(Cl)c1)C(C)C ZINC000277104841 655303682 /nfs/dbraw/zinc/30/36/82/655303682.db2.gz WTDJOPRFMPYQKJ-UHFFFAOYSA-N 1 0 389.949 2.662 20 0 GFADRO C[C@](O)(CNC(=O)NCC1([NH+]2CCSCC2)CCCC1)c1cccs1 ZINC000119438209 655303927 /nfs/dbraw/zinc/30/39/27/655303927.db2.gz GPYGEQCWJWPANM-KRWDZBQOSA-N 1 0 383.583 2.616 20 0 GFADRO CC(=O)NC1CCC([NH2+]C[C@H](CO)Cc2cccc(Br)c2)CC1 ZINC000277130087 655304703 /nfs/dbraw/zinc/30/47/03/655304703.db2.gz OJTGAVYLPOHPHB-FAEJEUNOSA-N 1 0 383.330 2.637 20 0 GFADRO CCN(CC1CC[NH+](C[C@@H](C)CS(C)(=O)=O)CC1)C(=O)OC(C)(C)C ZINC000119536381 655306084 /nfs/dbraw/zinc/30/60/84/655306084.db2.gz KEUZSWKHWFZEGQ-OAHLLOKOSA-N 1 0 376.563 2.636 20 0 GFADRO CN(CCCN1CC[NH+](C)CC1)C(=O)c1ccc(Cl)cc1Br ZINC000119557164 655306969 /nfs/dbraw/zinc/30/69/69/655306969.db2.gz WBWLEFSHUBOCIP-UHFFFAOYSA-N 1 0 388.737 2.812 20 0 GFADRO CN1CCN(C(=O)CC[NH2+][C@@H]2CCSc3ccc(Br)cc32)CC1 ZINC000178672145 655307764 /nfs/dbraw/zinc/30/77/64/655307764.db2.gz XRCQFFRSWWVPGC-OAHLLOKOSA-N 1 0 398.370 2.740 20 0 GFADRO O=C(Cc1ccc(Br)c(F)c1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000178674876 655308083 /nfs/dbraw/zinc/30/80/83/655308083.db2.gz WPZGPNZMOIKWRU-UHFFFAOYSA-N 1 0 399.304 2.702 20 0 GFADRO CC(C)[N@H+](CC(=O)NCC(=O)Nc1ccccc1Br)C1CCC1 ZINC000119795066 655315682 /nfs/dbraw/zinc/31/56/82/655315682.db2.gz KOMLUPQHHIUICI-UHFFFAOYSA-N 1 0 382.302 2.767 20 0 GFADRO COc1cc(CNC(=O)[C@@H]2CCC[N@@H+]2C2CC2)cc(Br)c1OC ZINC000278595421 655325202 /nfs/dbraw/zinc/32/52/02/655325202.db2.gz IKQNHIBOHHHTSR-AWEZNQCLSA-N 1 0 383.286 2.709 20 0 GFADRO Cc1ccc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cn2)c(Br)n1 ZINC000120129002 655328626 /nfs/dbraw/zinc/32/86/26/655328626.db2.gz KMHSJVUILRZDNW-UHFFFAOYSA-N 1 0 390.285 2.552 20 0 GFADRO C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]CCS(=O)(=O)C(C)(C)C ZINC000180806302 655330243 /nfs/dbraw/zinc/33/02/43/655330243.db2.gz OQDXFWMKMIASQJ-CQSZACIVSA-N 1 0 388.961 2.880 20 0 GFADRO C[C@H](C(=O)NCCN1CC[N@H+](C)C(C)(C)C1)c1ccc(Br)cc1 ZINC000281828646 655338513 /nfs/dbraw/zinc/33/85/13/655338513.db2.gz RVBICDDXTGUUSF-AWEZNQCLSA-N 1 0 382.346 2.695 20 0 GFADRO CCn1c(SCC(=O)N2CCC([NH+](C)C)CC2)nnc1-c1cccs1 ZINC000120666674 655341714 /nfs/dbraw/zinc/34/17/14/655341714.db2.gz WQJKYBNFBCZLCL-UHFFFAOYSA-N 1 0 379.555 2.671 20 0 GFADRO COc1ccc(Br)cc1C(=O)CCC(=O)N1CCC([NH+](C)C)CC1 ZINC000120670268 655341827 /nfs/dbraw/zinc/34/18/27/655341827.db2.gz OPWKVBFXUWEVKD-UHFFFAOYSA-N 1 0 397.313 2.973 20 0 GFADRO CCCN(CC[NH+](CC)CC)C(=O)c1cncc(I)c1 ZINC000120769927 655343565 /nfs/dbraw/zinc/34/35/65/655343565.db2.gz KIEHZHZBMHZDRT-UHFFFAOYSA-N 1 0 389.281 2.880 20 0 GFADRO C[NH+](C)CC1CCN(Cn2nc3ccc(Br)cn3c2=S)CC1 ZINC000839996893 661122995 /nfs/dbraw/zinc/12/29/95/661122995.db2.gz APCQUYPGLMQNSN-UHFFFAOYSA-N 1 0 384.347 2.859 20 0 GFADRO Cc1ccc(C(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)cc1I ZINC000289276174 655345248 /nfs/dbraw/zinc/34/52/48/655345248.db2.gz PPTMRXVRYPOTJU-INIZCTEOSA-N 1 0 384.261 2.815 20 0 GFADRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)NCc1ccc(O)c(Br)c1 ZINC000289301242 655346017 /nfs/dbraw/zinc/34/60/17/655346017.db2.gz VPKYLTMGUSRMEU-DOMZBBRYSA-N 1 0 382.302 2.923 20 0 GFADRO Cc1cccc(NC(=O)C(=O)NCC[NH+](C(C)C)C(C)C)c1Br ZINC000120901262 655346403 /nfs/dbraw/zinc/34/64/03/655346403.db2.gz LKGYNRBHIXFRTO-UHFFFAOYSA-N 1 0 384.318 2.931 20 0 GFADRO COc1cc(C[NH2+]CCNC(=O)c2ccc(Br)cc2)cc(OC)c1 ZINC000121150503 655348145 /nfs/dbraw/zinc/34/81/45/655348145.db2.gz JZCCISHWWZYJIJ-UHFFFAOYSA-N 1 0 393.281 2.986 20 0 GFADRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CCC[C@@H]2C[NH+]2CCCC2)c1 ZINC000183556362 655352139 /nfs/dbraw/zinc/35/21/39/655352139.db2.gz ZHPHEHRBQJPBMZ-CYBMUJFWSA-N 1 0 387.889 2.806 20 0 GFADRO CC[N@H+](C)C[C@@H]1CCN(CN2CC[C@H](c3cccc(Br)c3)C2=O)C1 ZINC000840017646 661124586 /nfs/dbraw/zinc/12/45/86/661124586.db2.gz ZHMWMACJVLYKPJ-MAUKXSAKSA-N 1 0 394.357 2.996 20 0 GFADRO CN(Cc1c(F)cccc1Cl)S(=O)(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000292921024 655357154 /nfs/dbraw/zinc/35/71/54/655357154.db2.gz YBSHHTMCQFBLOC-KRWDZBQOSA-N 1 0 389.924 2.573 20 0 GFADRO O=S(=O)(C(F)F)N1CCC(C[NH2+]C2CCC(C(F)(F)F)CC2)CC1 ZINC000184561659 655358224 /nfs/dbraw/zinc/35/82/24/655358224.db2.gz MNUZONYAHDKUBS-UHFFFAOYSA-N 1 0 378.407 2.962 20 0 GFADRO CSCc1cnc(CN[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)s1 ZINC000293635625 655360464 /nfs/dbraw/zinc/36/04/64/655360464.db2.gz RJHDZTCLMLPYON-AEFFLSMTSA-N 1 0 377.579 2.979 20 0 GFADRO Cc1cnc([C@H]([NH2+]C[C@@](C)(O)c2ccc(S(C)(=O)=O)cc2)C2CC2)s1 ZINC000185283402 655363559 /nfs/dbraw/zinc/36/35/59/655363559.db2.gz VAHCUGSSIVHTIR-SJLPKXTDSA-N 1 0 380.535 2.803 20 0 GFADRO C[C@@H]([NH2+][C@@H](C)CCN1CC[NH+](C)CC1)c1cc(Br)cc(F)c1[O-] ZINC000186588442 655370221 /nfs/dbraw/zinc/37/02/21/655370221.db2.gz UCXOMMURFSDYEU-QWHCGFSZSA-N 1 0 388.325 2.970 20 0 GFADRO CN(CC[NH+](C)C)C(=O)Nc1cc(Cl)ccc1I ZINC000297408864 655370535 /nfs/dbraw/zinc/37/05/35/655370535.db2.gz NTCWVFYOLWPTSU-UHFFFAOYSA-N 1 0 381.645 2.970 20 0 GFADRO CC(C)C[C@@H](CNC(=O)OC(C)(C)C)[NH2+][C@@H](C)C1CCS(=O)(=O)CC1 ZINC000187191940 655372957 /nfs/dbraw/zinc/37/29/57/655372957.db2.gz WIGUACKZAHDFAA-HOCLYGCPSA-N 1 0 376.563 2.729 20 0 GFADRO CCCC[C@@H](CNC(=O)OC(C)(C)C)[NH2+][C@H](C)C1CCS(=O)(=O)CC1 ZINC000187300845 655373442 /nfs/dbraw/zinc/37/34/42/655373442.db2.gz SRLKMJKLSCSYHM-ZBFHGGJFSA-N 1 0 376.563 2.873 20 0 GFADRO C[C@H](CCNC(=O)C(=O)Nc1cc(Cl)c(N)c(Cl)c1)[NH+]1CCCCC1 ZINC000298604389 655373449 /nfs/dbraw/zinc/37/34/49/655373449.db2.gz LNEZHKHTBQXMTP-LLVKDONJSA-N 1 0 387.311 2.895 20 0 GFADRO O=C(CC[N@@H+]1CCC[C@@H]1CN1CCOCC1)Nc1ccccc1Br ZINC000299372455 655375127 /nfs/dbraw/zinc/37/51/27/655375127.db2.gz RZHHBGNDFFIRJJ-OAHLLOKOSA-N 1 0 396.329 2.574 20 0 GFADRO CC(C)OCCOC[C@@H](O)C[N@H+](C)Cc1ccc(F)c(Br)c1 ZINC000299427768 655375930 /nfs/dbraw/zinc/37/59/30/655375930.db2.gz PKDSHIGBUNERJM-AWEZNQCLSA-N 1 0 378.282 2.823 20 0 GFADRO Cc1nc(Cl)ccc1S(=O)(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000310975490 655379204 /nfs/dbraw/zinc/37/92/04/655379204.db2.gz FAKRVCCTADYEBN-INIZCTEOSA-N 1 0 379.913 2.844 20 0 GFADRO Cc1ccc(Br)nc1C(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000188435320 655379814 /nfs/dbraw/zinc/37/98/14/655379814.db2.gz MQZRWNFTBFWYTJ-LSDHHAIUSA-N 1 0 396.329 2.650 20 0 GFADRO C[NH+](C)CCN(Cc1ccccn1)C(=O)Nc1cccc(Br)n1 ZINC000188548462 655380619 /nfs/dbraw/zinc/38/06/19/655380619.db2.gz BDJLLLURYYAKPE-UHFFFAOYSA-N 1 0 378.274 2.835 20 0 GFADRO CC[C@@H](CNC(=O)c1[nH]nc2c1C[NH2+]CC2)Cc1cccc(Br)c1 ZINC000188600225 655380867 /nfs/dbraw/zinc/38/08/67/655380867.db2.gz ZQFPVJXFRXVCTR-GFCCVEGCSA-N 1 0 391.313 2.817 20 0 GFADRO C[C@@H]1CN(Cn2nnn(-c3ccc(Br)cc3)c2=S)C[C@H](C)[N@H+]1C ZINC000840089268 661130978 /nfs/dbraw/zinc/13/09/78/661130978.db2.gz BXMDQFKXWOANRA-TXEJJXNPSA-N 1 0 397.346 2.543 20 0 GFADRO COc1ccc([C@@H]2NC(=O)N(C[C@@H](C)[N@H+](C)C3CC3)C2=O)cc1Br ZINC000349366778 655389516 /nfs/dbraw/zinc/38/95/16/655389516.db2.gz NGRZACMMYBPARR-BMIGLBTASA-N 1 0 396.285 2.533 20 0 GFADRO O=C1CN(Cc2cccc(Br)c2)C(=O)N1[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000349364022 655389520 /nfs/dbraw/zinc/38/95/20/655389520.db2.gz LQVUCBGPVMSKOO-CVEARBPZSA-N 1 0 392.297 2.840 20 0 GFADRO C[C@H](CN1C(=O)CN(Cc2cccc(Br)c2)C1=O)[N@H+](C)C1CC1 ZINC000349366808 655389692 /nfs/dbraw/zinc/38/96/92/655389692.db2.gz NLETZXKHHUGSFN-GFCCVEGCSA-N 1 0 380.286 2.696 20 0 GFADRO Cc1c(Br)cccc1CC(=O)NC[C@H]1CCC[C@H]1[NH+]1CCOCC1 ZINC000365160281 655391935 /nfs/dbraw/zinc/39/19/35/655391935.db2.gz XKKIMUAQUIXGGX-SJLPKXTDSA-N 1 0 395.341 2.917 20 0 GFADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)/C=C/c3csc(Br)c3)CC2)C1 ZINC000365344880 655394061 /nfs/dbraw/zinc/39/40/61/655394061.db2.gz NTHPMKZQVZNHCQ-RGDDUWESSA-N 1 0 398.370 2.762 20 0 GFADRO Cc1nn(C)c(CN2CCC[C@H](C(=O)Nc3ccccn3)C2)c1Br ZINC000365692713 655394776 /nfs/dbraw/zinc/39/47/76/655394776.db2.gz CKUMNNCRPYRINZ-ZDUSSCGKSA-N 1 0 392.301 2.737 20 0 GFADRO Cc1nc(-c2ccc(S(=O)(=O)N3C[C@@H]4CCC[C@@H]([NH3+])[C@H]4C3)s2)cs1 ZINC000365698787 655395083 /nfs/dbraw/zinc/39/50/83/655395083.db2.gz BGIREGWHHFMGGC-RWMBFGLXSA-N 1 0 383.564 2.928 20 0 GFADRO Cc1c(Br)ccc(NC(=O)N2CCC[N@@H+]([C@@H](C)CO)CC2)c1F ZINC000366142660 655398666 /nfs/dbraw/zinc/39/86/66/655398666.db2.gz ORZUDKORLYEZQB-NSHDSACASA-N 1 0 388.281 2.817 20 0 GFADRO O=C([C@@H]1CCN(c2cc(Cl)ccc2Cl)C1=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000366587468 655400091 /nfs/dbraw/zinc/40/00/91/655400091.db2.gz DXNKSCXQEPQAQK-OSAQELSMSA-N 1 0 382.291 2.557 20 0 GFADRO C[C@H](C(=O)Nc1ccc(Br)cc1)N1CCC[N@H+](CC(C)(C)O)CC1 ZINC000366679126 655400724 /nfs/dbraw/zinc/40/07/24/655400724.db2.gz MKTRYQBZOIONNY-CQSZACIVSA-N 1 0 398.345 2.555 20 0 GFADRO CC(C)C[N@@H+]1CCCN(Cc2nnnn2-c2ccccc2Br)CC1 ZINC000369510775 655401359 /nfs/dbraw/zinc/40/13/59/655401359.db2.gz IUNNLLRFCHTFEO-UHFFFAOYSA-N 1 0 393.333 2.589 20 0 GFADRO COCCN(Cc1cc(Br)cs1)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000418347156 655405746 /nfs/dbraw/zinc/40/57/46/655405746.db2.gz VJOIMYABGVKGRW-GFCCVEGCSA-N 1 0 390.347 2.668 20 0 GFADRO C[C@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)C(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000423107195 655407816 /nfs/dbraw/zinc/40/78/16/655407816.db2.gz DRSYZURGGBCGPU-KZULUSFZSA-N 1 0 384.307 2.867 20 0 GFADRO COCC[N@H+](C)CCCNC(=O)c1c(Cl)cc(F)cc1Br ZINC000449562205 655410627 /nfs/dbraw/zinc/41/06/27/655410627.db2.gz HWTBOAKAMZVBNF-UHFFFAOYSA-N 1 0 381.673 2.940 20 0 GFADRO CC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2ccc(OCC(F)(F)F)cc2)C1 ZINC000462665556 655413859 /nfs/dbraw/zinc/41/38/59/655413859.db2.gz XFTQOHKMKXRWLZ-ZDUSSCGKSA-N 1 0 380.432 2.590 20 0 GFADRO CO[C@@H]1CC[N@H+](Cn2nc(Br)c(=O)c3ccccc32)CC1(C)C ZINC000840124045 661136756 /nfs/dbraw/zinc/13/67/56/661136756.db2.gz JUPYURPEGXDZNH-CQSZACIVSA-N 1 0 380.286 2.863 20 0 GFADRO CS(=O)(=O)N[C@@H]1CCCC[C@@H]1C[NH2+]Cc1sccc1Br ZINC000512895333 655418068 /nfs/dbraw/zinc/41/80/68/655418068.db2.gz OLPGDOAMFAHKCR-ZYHUDNBSSA-N 1 0 381.361 2.708 20 0 GFADRO CC(C)(C)OC(=O)NCC[NH2+]Cc1ccc(I)cc1 ZINC000204924500 655421303 /nfs/dbraw/zinc/42/13/03/655421303.db2.gz GLJIAEDKJPUNTP-UHFFFAOYSA-N 1 0 376.238 2.906 20 0 GFADRO CCNS(=O)(=O)CC[NH2+][C@H](C)c1cc2cc(Br)ccc2o1 ZINC000224726587 655422643 /nfs/dbraw/zinc/42/26/43/655422643.db2.gz XIILHNCLXPBIQV-SNVBAGLBSA-N 1 0 375.288 2.785 20 0 GFADRO CC(C)(C)OC(=O)N1CCOC[C@H]1C[NH2+]Cc1ccc(Br)cn1 ZINC000227707032 655422929 /nfs/dbraw/zinc/42/29/29/655422929.db2.gz XCZJUVPHUKYCOR-CQSZACIVSA-N 1 0 386.290 2.570 20 0 GFADRO O[C@@H](C[NH2+]C[C@@H]1CSCCS1)COc1cccc(Br)c1 ZINC000229602100 655423330 /nfs/dbraw/zinc/42/33/30/655423330.db2.gz RXESMGMPCFXEMQ-GXTWGEPZSA-N 1 0 378.357 2.627 20 0 GFADRO C[C@@H](NC(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1)c1ncc(Br)cn1 ZINC000562670614 655423753 /nfs/dbraw/zinc/42/37/53/655423753.db2.gz IUUCSAVNCXGFQI-OCCSQVGLSA-N 1 0 396.333 2.673 20 0 GFADRO COc1ncccc1C[NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000574150382 655425593 /nfs/dbraw/zinc/42/55/93/655425593.db2.gz ASXKHZZOPOWZPE-CQSZACIVSA-N 1 0 385.233 2.521 20 0 GFADRO C[C@@H](C[N@@H+]1CCC[C@@H](CS(N)(=O)=O)C1)c1cccc(Br)c1 ZINC000574183180 655425954 /nfs/dbraw/zinc/42/59/54/655425954.db2.gz RJMCUFJAIFTBIR-QWHCGFSZSA-N 1 0 375.332 2.553 20 0 GFADRO C[C@@H]1CN(Cn2ncc(Cl)c(Cl)c2=O)CC[N@H+](Cc2ccccc2)C1 ZINC000840136418 661138571 /nfs/dbraw/zinc/13/85/71/661138571.db2.gz UKLWOESIRVJTGZ-AWEZNQCLSA-N 1 0 381.307 2.962 20 0 GFADRO C[C@@H]([NH2+][C@@H]1CC[C@@H](C)CC1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000246365809 655429985 /nfs/dbraw/zinc/42/99/85/655429985.db2.gz IVIUNSDEVFBBBG-IIAWOOMASA-N 1 0 388.555 2.642 20 0 GFADRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)[C@](N)(c2cccc(Cl)c2)C(F)(F)F)C1 ZINC000574791505 655430746 /nfs/dbraw/zinc/43/07/46/655430746.db2.gz MZFCVOBRDINXTG-BLLLJJGKSA-N 1 0 377.838 2.903 20 0 GFADRO CO[C@@H]1CCN(Cc2cc(Br)ccc2OC(F)F)[C@H](C[NH3+])C1 ZINC000574813053 655431156 /nfs/dbraw/zinc/43/11/56/655431156.db2.gz NVLXNLJKNGEXAD-QWHCGFSZSA-N 1 0 379.245 2.989 20 0 GFADRO CC[C@H]1C[N@H+](C)CCN1C(=O)CNC(=O)c1sc2ccccc2c1Cl ZINC000574834986 655431702 /nfs/dbraw/zinc/43/17/02/655431702.db2.gz BUXCNJWZUFWYDG-LBPRGKRZSA-N 1 0 379.913 2.837 20 0 GFADRO O=S(=O)(c1ccc(F)c(C(F)(F)F)c1)N1CCC2(CC[NH2+]CC2)CC1 ZINC000574876300 655432649 /nfs/dbraw/zinc/43/26/49/655432649.db2.gz CCCNKJBFGNXKPP-UHFFFAOYSA-N 1 0 380.407 2.999 20 0 GFADRO COc1ccccc1COC[C@@H](O)C[NH2+]Cc1ccc(O)c(Br)c1 ZINC000575040288 655434646 /nfs/dbraw/zinc/43/46/46/655434646.db2.gz SKVQXZQQCPAJQT-HNNXBMFYSA-N 1 0 396.281 2.831 20 0 GFADRO C[C@@H]1CN(S(=O)(=O)Cc2cc(Cl)ccc2Br)[C@H](C)C[NH2+]1 ZINC000575058856 655434905 /nfs/dbraw/zinc/43/49/05/655434905.db2.gz ZSMVSWUNXMXKLU-NXEZZACHSA-N 1 0 381.723 2.615 20 0 GFADRO CCc1ccc([C@H](CNC(=O)NCc2n[nH]cc2Br)[NH+](C)C)cc1 ZINC000575096528 655435482 /nfs/dbraw/zinc/43/54/82/655435482.db2.gz VTQXDSYPRHTBIN-INIZCTEOSA-N 1 0 394.317 2.837 20 0 GFADRO C[C@H]([NH2+]CCCNS(=O)(=O)c1ccccc1Br)C1(C)CC1 ZINC000575110905 655435785 /nfs/dbraw/zinc/43/57/85/655435785.db2.gz YQAOXOHSKXXEKY-LBPRGKRZSA-N 1 0 375.332 2.896 20 0 GFADRO Cc1c(Br)cccc1C[C@@H](CO)C[NH2+]C[C@@H](O)CC(F)(F)F ZINC000575180810 655436950 /nfs/dbraw/zinc/43/69/50/655436950.db2.gz DFOSDNBYGGYYBI-YPMHNXCESA-N 1 0 384.236 2.811 20 0 GFADRO O=C(/C=C\c1ccc(Cl)s1)NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000255138477 655437485 /nfs/dbraw/zinc/43/74/85/655437485.db2.gz LQFMDQKMLLWHET-QKIRZYONSA-N 1 0 376.909 2.950 20 0 GFADRO Cc1cccc(NC(=O)C(=O)N2CCC3(CC[NH2+]CC3)CC2)c1Br ZINC000575851234 655438452 /nfs/dbraw/zinc/43/84/52/655438452.db2.gz BACMPUXGUJZFHP-UHFFFAOYSA-N 1 0 394.313 2.688 20 0 GFADRO Cc1cc(OC[C@@H](O)C[NH2+][C@@H](C)CS(C)(=O)=O)c(C(C)C)cc1Cl ZINC000575861602 655438594 /nfs/dbraw/zinc/43/85/94/655438594.db2.gz CGIZGXXGMBBOHZ-KBPBESRZSA-N 1 0 377.934 2.534 20 0 GFADRO C[C@@]([NH3+])(C(=O)N1CCc2ccc(O)cc2C1)c1ccc(Br)cc1 ZINC000261672714 655441725 /nfs/dbraw/zinc/44/17/25/655441725.db2.gz GELKNLOGFXHMHX-SFHVURJKSA-N 1 0 375.266 2.914 20 0 GFADRO COc1ccc(OCCNC(=O)[C@@](C)([NH3+])c2ccc(Br)cc2)cc1 ZINC000261681639 655441877 /nfs/dbraw/zinc/44/18/77/655441877.db2.gz GXVLBJVWHULICL-SFHVURJKSA-N 1 0 393.281 2.827 20 0 GFADRO [NH3+]C1(c2noc(Cc3csc(NC(=O)Cc4cccs4)n3)n2)CCC1 ZINC000261744832 655442071 /nfs/dbraw/zinc/44/20/71/655442071.db2.gz LIFIDOUUQOFKLK-UHFFFAOYSA-N 1 0 375.479 2.698 20 0 GFADRO CC(C)[N@@H+]1CC[C@H](CNc2ncc(Cn3cc(Br)cn3)s2)C1 ZINC000576097657 655443127 /nfs/dbraw/zinc/44/31/27/655443127.db2.gz SRSABUDAALMZMV-GFCCVEGCSA-N 1 0 384.347 3.293 20 0 GFADRO O=C1[C@H]([NH2+][C@H](CO)c2cccc(Br)c2)CCCN1CC(F)(F)F ZINC000576101727 655443357 /nfs/dbraw/zinc/44/33/57/655443357.db2.gz OBZLHEAOPOWBCP-CHWSQXEVSA-N 1 0 395.219 2.625 20 0 GFADRO CC1(CNS(=O)(=O)c2cccc(Cl)c2Br)CC[NH2+]CC1 ZINC000262745053 655446820 /nfs/dbraw/zinc/44/68/20/655446820.db2.gz DJLQZEVVEIBVBW-UHFFFAOYSA-N 1 0 381.723 2.771 20 0 GFADRO CN(CC(C)(C)C[NH3+])S(=O)(=O)c1cc(Cl)c(Br)cc1F ZINC000262743251 655446865 /nfs/dbraw/zinc/44/68/65/655446865.db2.gz CWHKISIXNFGLTQ-UHFFFAOYSA-N 1 0 387.702 2.847 20 0 GFADRO COc1cc(NC(=O)CC[NH2+][C@H](CO)CC(F)(F)F)c(OC)cc1Cl ZINC000576466302 655447930 /nfs/dbraw/zinc/44/79/30/655447930.db2.gz OOLXSMWJMWNYKW-VIFPVBQESA-N 1 0 384.782 2.589 20 0 GFADRO O[C@H](C[NH2+]C[C@@H]1Cc2ccccc2O1)COc1cc(F)cc(Br)c1 ZINC000576692889 655450823 /nfs/dbraw/zinc/45/08/23/655450823.db2.gz PLAHLLVIPLNVQG-WBVHZDCISA-N 1 0 396.256 2.921 20 0 GFADRO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N[C@@H](c1cccs1)c1ccc(Cl)cc1 ZINC000576703797 655451093 /nfs/dbraw/zinc/45/10/93/655451093.db2.gz RLLJYSBOZCSKIF-HWWQOWPSSA-N 1 0 379.913 2.849 20 0 GFADRO C[NH+]1CCN(c2ccc(Br)cc2NC(=O)[C@H]2CCCOC2)CC1 ZINC000263943155 655454459 /nfs/dbraw/zinc/45/44/59/655454459.db2.gz WHWWQAYPNGQVIO-ZDUSSCGKSA-N 1 0 382.302 2.566 20 0 GFADRO CC[C@H](Cc1ccccc1Br)[NH2+]C[C@@H](O)COC1CCOCC1 ZINC000577054631 655456605 /nfs/dbraw/zinc/45/66/05/655456605.db2.gz CIQIQRIAOMDIDP-HZPDHXFCSA-N 1 0 386.330 2.916 20 0 GFADRO C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1NCc1nc(Cc2cccc(Br)c2)no1 ZINC000577370797 655458030 /nfs/dbraw/zinc/45/80/30/655458030.db2.gz GONHILWFDICIDK-BWACUDIHSA-N 1 0 379.302 2.899 20 0 GFADRO Cc1cc(Br)ccc1CC(=O)N(C)CCC[N@@H+](C)CCN(C)C ZINC000577380754 655458331 /nfs/dbraw/zinc/45/83/31/655458331.db2.gz CNAGFGMWZHRSKV-UHFFFAOYSA-N 1 0 384.362 2.642 20 0 GFADRO CC(C)COC[C@@H](O)C[NH2+]C[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000577621957 655463250 /nfs/dbraw/zinc/46/32/50/655463250.db2.gz ONXBLBIPFRSDTK-QAPCUYQASA-N 1 0 385.346 2.899 20 0 GFADRO CN(C(=O)Cc1csc(NC(=O)c2cccs2)n1)C1CC[NH+](C)CC1 ZINC000264538225 655465713 /nfs/dbraw/zinc/46/57/13/655465713.db2.gz NTLKRJNSLXBMHA-UHFFFAOYSA-N 1 0 378.523 2.552 20 0 GFADRO CC[N@@H+]1CCCN(C(=O)Cc2csc(NC(=O)c3cccs3)n2)CC1 ZINC000264600738 655466847 /nfs/dbraw/zinc/46/68/47/655466847.db2.gz DIGPBNACXTWJNW-UHFFFAOYSA-N 1 0 378.523 2.554 20 0 GFADRO C[C@@H](COCC(F)(F)F)[NH2+]C[C@@H](O)COc1cccc(Br)c1 ZINC000577859874 655468673 /nfs/dbraw/zinc/46/86/73/655468673.db2.gz KTRSWGODZKLCAC-CMPLNLGQSA-N 1 0 386.208 2.746 20 0 GFADRO [NH3+]CCC1CCN(C(=O)C(=O)NCCCc2ccc(Cl)cc2Cl)CC1 ZINC000577857717 655468709 /nfs/dbraw/zinc/46/87/09/655468709.db2.gz KJCDVTSWXVRIIF-UHFFFAOYSA-N 1 0 386.323 2.630 20 0 GFADRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N1CCO[C@@H](c2cccc(Br)c2)C1 ZINC000577942490 655469930 /nfs/dbraw/zinc/46/99/30/655469930.db2.gz JSZJBBBWNAIZMK-DAXOMENPSA-N 1 0 382.302 2.530 20 0 GFADRO CC[NH+](CC)CCCCNC(=O)C[C@@](O)(c1nc(C)cs1)C(F)(F)F ZINC000264842051 655471821 /nfs/dbraw/zinc/47/18/21/655471821.db2.gz AUCQXXVWWVWSPF-OAHLLOKOSA-N 1 0 381.464 2.830 20 0 GFADRO COCC[NH+]1CCC(NC(=O)Nc2ccc(OC)c(Br)c2)CC1 ZINC000264880206 655472749 /nfs/dbraw/zinc/47/27/49/655472749.db2.gz QTKMKVHXWQRTIP-UHFFFAOYSA-N 1 0 386.290 2.690 20 0 GFADRO CC(C)(C)[N@@H+]1C[C@@H](C(=O)NCc2nnc(C3CC3)s2)[C@H](C(F)(F)F)C1 ZINC000578421479 655478456 /nfs/dbraw/zinc/47/84/56/655478456.db2.gz NJIHBFNBDUMDAU-GHMZBOCLSA-N 1 0 376.448 2.941 20 0 GFADRO COC1(C(=O)N2CCC(c3cccc(Br)c3)CC2)CC[NH2+]CC1 ZINC000578443685 655479146 /nfs/dbraw/zinc/47/91/46/655479146.db2.gz RKSRPBUDBLJBHK-UHFFFAOYSA-N 1 0 381.314 2.924 20 0 GFADRO C[C@@H](CC[NH+](C)C)NC(=O)CCC[S@](=O)c1ccc(Br)cc1 ZINC000265336206 655481575 /nfs/dbraw/zinc/48/15/75/655481575.db2.gz HECRLUKBBBBNNV-XMHCIUCPSA-N 1 0 389.359 2.793 20 0 GFADRO CCC(=O)N1CSC[C@@H]1C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1 ZINC000265389876 655482648 /nfs/dbraw/zinc/48/26/48/655482648.db2.gz SJLRHMICLKEQSP-CQSZACIVSA-N 1 0 385.917 2.530 20 0 GFADRO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N[C@H](c1ccsc1)c1ccc(Cl)cc1 ZINC000578627537 655483359 /nfs/dbraw/zinc/48/33/59/655483359.db2.gz YMXKFYGTPMSQBM-MKBNYLNASA-N 1 0 379.913 2.849 20 0 GFADRO CCC(CC)(CO)C[NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000578892296 655488679 /nfs/dbraw/zinc/48/86/79/655488679.db2.gz PQTDVYYFLOXSRF-CQSZACIVSA-N 1 0 378.282 2.716 20 0 GFADRO C[NH+](C)C/C=C/C(=O)Nc1cc(Br)cnc1OCC(F)(F)F ZINC000265712679 655489185 /nfs/dbraw/zinc/48/91/85/655489185.db2.gz VXWOCOJWDMURHN-ONEGZZNKSA-N 1 0 382.180 2.842 20 0 GFADRO O=C(N[C@H]1CC[N@@H+](C2CC2)C1)c1cn(Cc2ccc(Cl)cc2Cl)nn1 ZINC000578960842 655490229 /nfs/dbraw/zinc/49/02/29/655490229.db2.gz VSGJDORHSZZRPY-ZDUSSCGKSA-N 1 0 380.279 2.600 20 0 GFADRO O=C(N[C@H]1CCC[NH2+]C1)N[C@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O ZINC000578970328 655490481 /nfs/dbraw/zinc/49/04/81/655490481.db2.gz LKQYQXPBMQBRHN-JSGCOSHPSA-N 1 0 385.295 2.540 20 0 GFADRO C[NH+]1CCC(O)(CNCc2csc(COc3ccc(Cl)cc3)n2)CC1 ZINC000265847290 655491751 /nfs/dbraw/zinc/49/17/51/655491751.db2.gz HMHIZPQSFKHSKK-UHFFFAOYSA-N 1 0 381.929 2.922 20 0 GFADRO COC[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2cccc(I)c2)C1 ZINC000265844295 655491844 /nfs/dbraw/zinc/49/18/44/655491844.db2.gz XMKFULNZXVVBOL-VXGBXAGGSA-N 1 0 388.249 2.587 20 0 GFADRO CN(C[C@H](O)c1cccc(Br)c1)C(=O)NCCC[NH+]1CCCCC1 ZINC000840244341 661149274 /nfs/dbraw/zinc/14/92/74/661149274.db2.gz IVTAUBMRHCBUGY-KRWDZBQOSA-N 1 0 398.345 3.000 20 0 GFADRO OC[C@@H](C[NH2+]C[C@H](O)Cc1ccccc1)Cc1ccc(F)c(Br)c1 ZINC000579108469 655494046 /nfs/dbraw/zinc/49/40/46/655494046.db2.gz CVIVZJJAHIFCOO-IAGOWNOFSA-N 1 0 396.300 2.932 20 0 GFADRO C[C@H]([NH2+]C1CC1)C(=O)N(C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000579116022 655494295 /nfs/dbraw/zinc/49/42/95/655494295.db2.gz BUXJCYQRWQLBBR-VIFPVBQESA-N 1 0 377.794 2.896 20 0 GFADRO CNC(=O)CCC[NH+]1CCC(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000579244646 655496498 /nfs/dbraw/zinc/49/64/98/655496498.db2.gz UHSPVIUJAKNXIN-UHFFFAOYSA-N 1 0 382.302 2.626 20 0 GFADRO C[C@@H](NC(=O)c1ccccc1Sc1ccc(S(C)(=O)=O)cc1)[C@H](C)[NH3+] ZINC000579247732 655496648 /nfs/dbraw/zinc/49/66/48/655496648.db2.gz UFJNAARGGVEHQE-QWHCGFSZSA-N 1 0 378.519 2.707 20 0 GFADRO CC[C@@H]([NH2+][C@H]1CCS(=O)(=O)c2ccc(Br)cc21)C(C)(C)O ZINC000579247989 655496706 /nfs/dbraw/zinc/49/67/06/655496706.db2.gz VMLXYSIRUXEWIV-GXTWGEPZSA-N 1 0 376.316 2.807 20 0 GFADRO Cc1csc([C@](O)(CC(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)C(F)(F)F)n1 ZINC000266095854 655496784 /nfs/dbraw/zinc/49/67/84/655496784.db2.gz QMTGOLCRYJKLED-SLEUVZQESA-N 1 0 379.448 2.533 20 0 GFADRO CN(C[C@H](O)c1cccc(Br)c1)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000840256756 661150215 /nfs/dbraw/zinc/15/02/15/661150215.db2.gz WTGDLMXRPBEMJW-IKGGRYGDSA-N 1 0 396.329 2.751 20 0 GFADRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)C(=O)Nc3cc(Cl)c(Cl)cc3Cl)C[C@@H]12 ZINC000579449542 655499826 /nfs/dbraw/zinc/49/98/26/655499826.db2.gz GNLUWKWCJZEIGI-DNSOKLHBSA-N 1 0 376.671 2.781 20 0 GFADRO COc1ccccc1S(=O)(=O)NC[C@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000579481441 655500200 /nfs/dbraw/zinc/50/02/00/655500200.db2.gz GCWNTALJMAMAFY-OAHLLOKOSA-N 1 0 382.913 2.972 20 0 GFADRO CC[C@H](Cc1ccccc1Br)C(=O)NC[C@]1(O)C[NH+]2CCC1CC2 ZINC000579516607 655500816 /nfs/dbraw/zinc/50/08/16/655500816.db2.gz TZTVLMNMAZYDNF-KUHUBIRLSA-N 1 0 395.341 2.591 20 0 GFADRO O=C(N[C@H]1CCOc2c(Br)cccc21)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000579572255 655501634 /nfs/dbraw/zinc/50/16/34/655501634.db2.gz QOZYYPOVQJIOGT-YOEHRIQHSA-N 1 0 380.286 2.668 20 0 GFADRO C[C@H](C[C@H](C)[NH3+])NC(=O)c1cnn(-c2ncccc2Cl)c1C(F)(F)F ZINC000579597543 655502017 /nfs/dbraw/zinc/50/20/17/655502017.db2.gz SVAWACWUDIBYPR-DTWKUNHWSA-N 1 0 375.782 2.795 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCc2ccc(Br)cc2)CC1 ZINC000579711773 655502810 /nfs/dbraw/zinc/50/28/10/655502810.db2.gz KDOQVKDVFGRQOT-AEFFLSMTSA-N 1 0 381.314 2.737 20 0 GFADRO [NH3+]CC[C@H](NC(=O)c1csc(Nc2cc(F)cc(F)c2)n1)C(F)(F)F ZINC000579950720 655506094 /nfs/dbraw/zinc/50/60/94/655506094.db2.gz QBYBVGZPJYTFTG-NSHDSACASA-N 1 0 380.342 2.596 20 0 GFADRO O[C@@H](CCc1ccccc1)C[NH2+]C[C@H](O)COc1cccc(Br)c1 ZINC000579958764 655506126 /nfs/dbraw/zinc/50/61/26/655506126.db2.gz RYWWJFGECKZNQS-ROUUACIJSA-N 1 0 394.309 2.772 20 0 GFADRO O=C(Cc1csc(-c2cccc(Br)c2)n1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000579963821 655506330 /nfs/dbraw/zinc/50/63/30/655506330.db2.gz DSAMSVPONLAIEC-DOMZBBRYSA-N 1 0 392.322 2.935 20 0 GFADRO CN(C[C@H]1CC[C@H](C[NH3+])CC1)S(=O)(=O)c1ccc(Br)s1 ZINC000580063688 655507608 /nfs/dbraw/zinc/50/76/08/655507608.db2.gz BUMZOBORVMKUFR-XYPYZODXSA-N 1 0 381.361 2.896 20 0 GFADRO Cc1c(C(=O)NC[C@H]2CCC[C@H]([NH3+])C2)nnn1-c1cccc(Br)c1 ZINC000580182461 655509472 /nfs/dbraw/zinc/50/94/72/655509472.db2.gz YKMLRHFEJADWIJ-JSGCOSHPSA-N 1 0 392.301 2.586 20 0 GFADRO COc1cc(Cl)c(S(=O)(=O)N2CC[C@]3(C2)CCC[NH2+]C3)cc1Cl ZINC000580325903 655511066 /nfs/dbraw/zinc/51/10/66/655511066.db2.gz BXMJDENXGUWMBW-OAHLLOKOSA-N 1 0 379.309 2.766 20 0 GFADRO CSC1(CNC(=O)c2[nH]nc3ccc(Br)cc32)CC[NH+](C)CC1 ZINC000580374635 655511773 /nfs/dbraw/zinc/51/17/73/655511773.db2.gz XZMCIZSAHYXZOV-UHFFFAOYSA-N 1 0 397.342 2.883 20 0 GFADRO COCC[N@@H+]1CC[C@@H](NC(=O)CCCCOc2ccc(Br)cc2)C1 ZINC000595463175 655512557 /nfs/dbraw/zinc/51/25/57/655512557.db2.gz KHHBCZLMZYHVHV-MRXNPFEDSA-N 1 0 399.329 2.835 20 0 GFADRO O=C(NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cc(Cl)ncc1Cl ZINC000702626639 655521699 /nfs/dbraw/zinc/52/16/99/655521699.db2.gz KHZIVUXFOZVJFO-GOSISDBHSA-N 1 0 380.275 2.755 20 0 GFADRO Cn1cc(C[NH2+][C@@H]2CC[C@H](CNC(=O)OC(C)(C)C)C2)c(Br)n1 ZINC000712470646 655522698 /nfs/dbraw/zinc/52/26/98/655522698.db2.gz NIPNVIYQGNWABJ-WCQYABFASA-N 1 0 387.322 2.966 20 0 GFADRO C[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1NC(=O)c1nn(C)cc1Br ZINC000716185424 655523478 /nfs/dbraw/zinc/52/34/78/655523478.db2.gz LPKJWTJIPZFKRF-XJKSGUPXSA-N 1 0 391.313 2.823 20 0 GFADRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=S)Nc2ccc(Cl)nc2)CC1 ZINC000727085037 655541757 /nfs/dbraw/zinc/54/17/57/655541757.db2.gz SAXMSPKNBBEDSC-HUUCEWRRSA-N 1 0 381.977 2.922 20 0 GFADRO CN(CC(=O)Nc1ccc(Br)cn1)C(=O)CCCC[NH+]1CCCC1 ZINC000729364563 655564353 /nfs/dbraw/zinc/56/43/53/655564353.db2.gz CFYXZDHTOWZCKK-UHFFFAOYSA-N 1 0 397.317 2.507 20 0 GFADRO C[C@H](Cc1ccc(Br)cc1)NC(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000729497280 655565327 /nfs/dbraw/zinc/56/53/27/655565327.db2.gz QDBUYXRBSJNNQG-COXVUDFISA-N 1 0 396.329 2.543 20 0 GFADRO O=C(NCCOc1cccc(Cl)c1Cl)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000729498573 655565468 /nfs/dbraw/zinc/56/54/68/655565468.db2.gz RGOGPBQRUPQAJX-STQMWFEESA-N 1 0 388.295 2.535 20 0 GFADRO CC(C)(NC(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccc(Br)cc1 ZINC000729596773 655566051 /nfs/dbraw/zinc/56/60/51/655566051.db2.gz STLRIXBSXATEBD-HOTGVXAUSA-N 1 0 396.329 2.847 20 0 GFADRO CN(C[C@H](O)c1cccc(Br)c1)C(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000840390635 661160213 /nfs/dbraw/zinc/16/02/13/661160213.db2.gz JKLPBPWSFHHEJH-YOEHRIQHSA-N 1 0 398.345 2.856 20 0 GFADRO CC[NH+]1CCC(N(C)C(=O)C[C@@](O)(c2nc(C)cs2)C(F)(F)F)CC1 ZINC000729843331 655569117 /nfs/dbraw/zinc/56/91/17/655569117.db2.gz DUSXQYTWASDYRO-OAHLLOKOSA-N 1 0 379.448 2.534 20 0 GFADRO COCCC[N@H+](CCOC)Cn1ccc(=O)c2cccc(Br)c21 ZINC000729847937 655569287 /nfs/dbraw/zinc/56/92/87/655569287.db2.gz ACFLZYQOGMMUDD-UHFFFAOYSA-N 1 0 383.286 2.706 20 0 GFADRO Cc1ccc(/C=C\C(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c(Br)c1 ZINC000730083120 655571567 /nfs/dbraw/zinc/57/15/67/655571567.db2.gz CIBJLSNNTGTEND-BTFXCVNISA-N 1 0 393.325 2.828 20 0 GFADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=S)NCCc1ccc(Cl)cc1Cl ZINC000730157564 655572098 /nfs/dbraw/zinc/57/20/98/655572098.db2.gz UVSWXUTUJUTMQV-ZDUSSCGKSA-N 1 0 389.396 2.636 20 0 GFADRO COCC[N@@H+]1CC[C@@H](NC(=S)NCCc2ccc(Cl)cc2Cl)C1 ZINC000730733276 655577534 /nfs/dbraw/zinc/57/75/34/655577534.db2.gz JKLHKFMIMXREME-CQSZACIVSA-N 1 0 376.353 2.721 20 0 GFADRO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1sccc1S(=O)(=O)C(F)F ZINC000731001465 655580446 /nfs/dbraw/zinc/58/04/46/655580446.db2.gz CAVKUNPSYRBZJA-LLVKDONJSA-N 1 0 382.498 2.985 20 0 GFADRO CC(C)c1n[nH]c(C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)c1Br ZINC000731687779 655585848 /nfs/dbraw/zinc/58/58/48/655585848.db2.gz RBYGMLJWLXQUMM-CYBMUJFWSA-N 1 0 399.333 2.669 20 0 GFADRO CSc1ccc(S(=O)(=O)Nc2ccccc2N2CC[NH+](C)CC2)cc1 ZINC000731782298 655586912 /nfs/dbraw/zinc/58/69/12/655586912.db2.gz NDEUYZWQHSPITH-UHFFFAOYSA-N 1 0 377.535 2.961 20 0 GFADRO C[N@H+](Cn1ccc(=O)c2cccc(Br)c21)[C@@H]1CCN(C2CC2)C1 ZINC000732189990 655592635 /nfs/dbraw/zinc/59/26/35/655592635.db2.gz WDNANYIBOWBWRF-CQSZACIVSA-N 1 0 376.298 2.890 20 0 GFADRO S=C(NCCc1ccccn1)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000732624329 655599348 /nfs/dbraw/zinc/59/93/48/655599348.db2.gz MBJMEPDOWMETNV-UHFFFAOYSA-N 1 0 378.611 2.840 20 0 GFADRO O=S(=O)(NCC1([NH+]2CCSCC2)CCCCC1)c1ccc(Cl)nc1 ZINC000732669878 655599992 /nfs/dbraw/zinc/59/99/92/655599992.db2.gz GZHRRDHOSQTSAU-UHFFFAOYSA-N 1 0 389.974 2.765 20 0 GFADRO C[N@H+](CCC(=O)Nc1ccc(Cl)cc1)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000732809470 655602438 /nfs/dbraw/zinc/60/24/38/655602438.db2.gz DUCGXZBMJOGKDI-ZDUSSCGKSA-N 1 0 377.794 2.764 20 0 GFADRO C[NH+](C)CCOC1CCN(C(=O)c2cccnc2SC(F)(F)F)CC1 ZINC000733156994 655608385 /nfs/dbraw/zinc/60/83/85/655608385.db2.gz QJOYWWPAZPXYIL-UHFFFAOYSA-N 1 0 377.432 2.876 20 0 GFADRO CC(C)[C@H](C[NH+](C)C)NC(=O)c1cc(=O)c2cc(Br)ccc2[nH]1 ZINC000733164483 655608506 /nfs/dbraw/zinc/60/85/06/655608506.db2.gz UUTIXHLVMKCDJJ-HNNXBMFYSA-N 1 0 380.286 2.607 20 0 GFADRO CC(C)[C@@H](C[NH+](C)C)NC(=O)c1ccn(-c2cccc(Br)c2)n1 ZINC000733168231 655608712 /nfs/dbraw/zinc/60/87/12/655608712.db2.gz RMDZDMUGLCKPSC-MRXNPFEDSA-N 1 0 379.302 2.951 20 0 GFADRO COCC[N@@H+]1CCCN(C(=O)Cc2ccc(Cl)cc2Br)CC1 ZINC000733255522 655610647 /nfs/dbraw/zinc/61/06/47/655610647.db2.gz BBIHBHYBDIDQPG-UHFFFAOYSA-N 1 0 389.721 2.826 20 0 GFADRO O=C(COC(=O)CSC(F)F)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000733418278 655614655 /nfs/dbraw/zinc/61/46/55/655614655.db2.gz PRVCYBIDDCRCMI-UHFFFAOYSA-N 1 0 390.477 2.673 20 0 GFADRO C[NH+](C)C[C@H]1CCN(C(=O)C(=O)Nc2cccc(C3SCCS3)c2)C1 ZINC000733669536 655618949 /nfs/dbraw/zinc/61/89/49/655618949.db2.gz LISFRWVFFRBHMI-CYBMUJFWSA-N 1 0 379.551 2.514 20 0 GFADRO O=S(=O)(/C=C/c1ccccc1Cl)N1CC[NH+](CC2CCOCC2)CC1 ZINC000736345268 655662555 /nfs/dbraw/zinc/66/25/55/655662555.db2.gz WXWZWZWPFMZPCJ-VGOFMYFVSA-N 1 0 384.929 2.685 20 0 GFADRO O=c1ccn(C[NH+]2CCC(C3OCCO3)CC2)c2c(Br)cccc12 ZINC000738138640 655685891 /nfs/dbraw/zinc/68/58/91/655685891.db2.gz PLHHGXKYVMDITN-UHFFFAOYSA-N 1 0 393.281 2.806 20 0 GFADRO C[NH+](C)CCN(Cc1ccc(F)cc1F)S(=O)(=O)c1cccnc1Cl ZINC000738365328 655689840 /nfs/dbraw/zinc/68/98/40/655689840.db2.gz FSSGSVNJKHLDCL-UHFFFAOYSA-N 1 0 389.855 2.766 20 0 GFADRO C[C@H]1CCC[N@@H+]1CCNC(=O)c1ccc(I)c(F)c1 ZINC000742241721 655712810 /nfs/dbraw/zinc/71/28/10/655712810.db2.gz VRWZYNWGIVZDGX-JTQLQIEISA-N 1 0 376.213 2.644 20 0 GFADRO COC(=O)c1cc(S(=O)(=O)NC[C@@H](C(C)C)[NH+]2CCC(C)CC2)cs1 ZINC000742276315 655713689 /nfs/dbraw/zinc/71/36/89/655713689.db2.gz DICNQQXBEQAKJK-HNNXBMFYSA-N 1 0 388.555 2.570 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)C(=O)COc2ccc(C=O)cc2Br)C[C@H]1C ZINC000742697556 655720404 /nfs/dbraw/zinc/72/04/04/655720404.db2.gz DQJPBPDATCNNBF-HIFRSBDPSA-N 1 0 397.313 2.972 20 0 GFADRO CC[C@@H](CO)[NH+]1CCN(C(=S)NCCc2ccc(Cl)cc2Cl)CC1 ZINC000743017544 655724780 /nfs/dbraw/zinc/72/47/80/655724780.db2.gz HLBJMPCNUCDRLP-HNNXBMFYSA-N 1 0 390.380 2.799 20 0 GFADRO COC(=O)c1nn(C[N@H+](C)C2Cc3ccccc3C2)c(C)c1Br ZINC000744146429 655735950 /nfs/dbraw/zinc/73/59/50/655735950.db2.gz DAEAQAKPYTWOHA-UHFFFAOYSA-N 1 0 378.270 2.797 20 0 GFADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@@H]1CC[C@H]2SCCS[C@@H]12 ZINC000840732587 661180365 /nfs/dbraw/zinc/18/03/65/661180365.db2.gz FHCZHLPHZQBEBJ-OPQSFPLASA-N 1 0 389.384 2.969 20 0 GFADRO CC[C@@H]1C[C@@H](C)C[N@@H+]1CN1C(=O)C(=O)N(c2ccc(Br)cc2)C1=O ZINC000744442390 655740052 /nfs/dbraw/zinc/74/00/52/655740052.db2.gz ZILUWSZMUBXEFL-DGCLKSJQSA-N 1 0 394.269 2.822 20 0 GFADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@@H]1COC2(CCC(C)CC2)O1 ZINC000840737339 661181298 /nfs/dbraw/zinc/18/12/98/661181298.db2.gz BKJFMJJEPSKFQJ-DYDBFVOFSA-N 1 0 399.329 2.911 20 0 GFADRO CCN(Cc1cccc(Br)c1)CN1C(=O)C(=O)N(CC(C)C)C1=O ZINC000746026442 655757635 /nfs/dbraw/zinc/75/76/35/655757635.db2.gz HMWRUAYWLJAKJF-UHFFFAOYSA-N 1 0 396.285 2.675 20 0 GFADRO CCO[C@@H](CC[NH2+]Cc1c(C)nn([C@@H]2CCS(=O)(=O)C2)c1Cl)C(C)C ZINC000746052888 655757958 /nfs/dbraw/zinc/75/79/58/655757958.db2.gz BGKRDACTKTUVNG-ZBFHGGJFSA-N 1 0 391.965 2.745 20 0 GFADRO Cc1ccc(OCCC(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c(Br)c1 ZINC000747229764 655774488 /nfs/dbraw/zinc/77/44/88/655774488.db2.gz LPPXDWZYOYCEGR-CABCVRRESA-N 1 0 397.313 2.506 20 0 GFADRO O=C(Nc1cc(Cl)cc(Cl)c1)[C@H]1CCCN1C[C@H](O)C[NH+]1CCCC1 ZINC000747669160 655781700 /nfs/dbraw/zinc/78/17/00/655781700.db2.gz GAEMBESJSPLLHV-IAGOWNOFSA-N 1 0 386.323 2.853 20 0 GFADRO C[NH+](C)[C@]1(CNC(=S)NCc2ccc(OC(F)(F)F)cc2)CCSC1 ZINC000748602563 655792708 /nfs/dbraw/zinc/79/27/08/655792708.db2.gz PSPHNBNUHNCGKP-HNNXBMFYSA-N 1 0 393.500 2.987 20 0 GFADRO C[NH+](C)C1CCN(CCNC(=S)Nc2cccc(Br)c2)CC1 ZINC000749005563 655798766 /nfs/dbraw/zinc/79/87/66/655798766.db2.gz NZNCTLGMUXGYAJ-UHFFFAOYSA-N 1 0 385.375 2.762 20 0 GFADRO C[N@H+](C[C@H](O)COCc1ccccc1Cl)[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000749351742 655803506 /nfs/dbraw/zinc/80/35/06/655803506.db2.gz NBDWOPQNMVRABO-CGTJXYLNSA-N 1 0 389.945 2.505 20 0 GFADRO O=S(=O)(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1cc2ccc(Cl)nc2cc1F ZINC000750155437 655811830 /nfs/dbraw/zinc/81/18/30/655811830.db2.gz MGEUMJDBZAZWPD-UKRRQHHQSA-N 1 0 383.876 2.932 20 0 GFADRO Cc1c(Cl)cccc1NC(=S)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000751039970 655820740 /nfs/dbraw/zinc/82/07/40/655820740.db2.gz UJNYJTKQRCRXBT-INIZCTEOSA-N 1 0 382.961 2.878 20 0 GFADRO COCCn1cc(C[NH2+]C[C@](O)(c2ccc(Cl)cc2)C(F)(F)F)cn1 ZINC000751504983 655830181 /nfs/dbraw/zinc/83/01/81/655830181.db2.gz MNLAYJMAEHJKKV-HNNXBMFYSA-N 1 0 377.794 2.723 20 0 GFADRO CC[C@H](CO)C(=O)N(Cc1ccccc1Br)C1CC[NH+](C)CC1 ZINC000753025026 655849540 /nfs/dbraw/zinc/84/95/40/655849540.db2.gz ODGCIZMDIBJHCG-CQSZACIVSA-N 1 0 383.330 2.890 20 0 GFADRO C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]CCS(=O)(=O)C1CC1 ZINC000840880580 661198008 /nfs/dbraw/zinc/19/80/08/661198008.db2.gz DPCXOVIWBJWQDF-NSHDSACASA-N 1 0 378.416 2.589 20 0 GFADRO CC[N@H+](CCNC(=O)N[C@@H]1CC[C@H]2SCCS[C@H]12)CCC(F)(F)F ZINC000755780242 655888968 /nfs/dbraw/zinc/88/89/68/655888968.db2.gz PSDNHLZOOQBALB-JHJVBQTASA-N 1 0 385.521 2.940 20 0 GFADRO CC[N@H+](CCNC(=O)NC[C@@H](O)c1ccc(Cl)cc1)CCC(F)(F)F ZINC000755850865 655889968 /nfs/dbraw/zinc/88/99/68/655889968.db2.gz BHBZJWYLLUGYNT-CQSZACIVSA-N 1 0 381.826 2.947 20 0 GFADRO CC[NH+]1CCN(c2ccc(NC(=O)NC[C@@H]3CSCCS3)cc2)CC1 ZINC000756068634 655894294 /nfs/dbraw/zinc/89/42/94/655894294.db2.gz VORHJOZMHBYVOI-QGZVFWFLSA-N 1 0 380.583 2.799 20 0 GFADRO COC(=O)N1CCC([NH2+][C@H]2CCN(c3cccc(Br)c3)C2)CC1 ZINC000756104993 655895036 /nfs/dbraw/zinc/89/50/36/655895036.db2.gz ZUEYBBIHQOGAIU-HNNXBMFYSA-N 1 0 382.302 2.848 20 0 GFADRO C[NH+](C)[C@]1(CNC(=O)NC[C@H](O)c2cc3ccccc3s2)CCSC1 ZINC000757722458 655915679 /nfs/dbraw/zinc/91/56/79/655915679.db2.gz LXZJYIWBPOMFPH-KSSFIOAISA-N 1 0 379.551 2.671 20 0 GFADRO C[NH+](C)Cc1cccc(CNC(=O)c2cccnc2I)c1 ZINC000757774948 655916346 /nfs/dbraw/zinc/91/63/46/655916346.db2.gz DCNRMMRTVMZUMM-UHFFFAOYSA-N 1 0 395.244 2.678 20 0 GFADRO O=C(NCC(F)(F)F)C1CC[NH+](C[C@@H](O)c2ccc(Cl)c(F)c2)CC1 ZINC000759845648 655965089 /nfs/dbraw/zinc/96/50/89/655965089.db2.gz QTWAWNOAMOYTKH-CQSZACIVSA-N 1 0 382.785 2.903 20 0 GFADRO COCC[N@H+](C)CCCNC(=O)Nc1cnc(Cl)c(Br)c1C ZINC000760057876 655968301 /nfs/dbraw/zinc/96/83/01/655968301.db2.gz GIJHOQBIMNWUGN-UHFFFAOYSA-N 1 0 393.713 2.896 20 0 GFADRO C[C@@H](CNC(=O)c1cnn(-c2ccccc2)c1Br)[NH+]1CCCC1 ZINC000760178778 655971409 /nfs/dbraw/zinc/97/14/09/655971409.db2.gz WFFWKBCMJHVCDU-ZDUSSCGKSA-N 1 0 377.286 2.849 20 0 GFADRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2cnn(C)c2Br)C1 ZINC000760198056 655972298 /nfs/dbraw/zinc/97/22/98/655972298.db2.gz QQBILHHLNXLILW-GXTWGEPZSA-N 1 0 377.286 2.748 20 0 GFADRO Cn1ncc(C(=O)NC2CC[NH+](CC3CCCCC3)CC2)c1Br ZINC000760202538 655972543 /nfs/dbraw/zinc/97/25/43/655972543.db2.gz FNIKKZOSINVUDR-UHFFFAOYSA-N 1 0 383.334 2.957 20 0 GFADRO COc1ccc(C(=O)N[C@@H](C[NH+](C)C)C(C)C)c(I)c1 ZINC000760584474 655986771 /nfs/dbraw/zinc/98/67/71/655986771.db2.gz FLAZVJSAVRDTNZ-AWEZNQCLSA-N 1 0 390.265 2.616 20 0 GFADRO C[C@]1(c2cccc(Br)c2)NC(=O)N([C@H]2CC[N@@H+]3CCCC[C@H]23)C1=O ZINC000761123337 655999324 /nfs/dbraw/zinc/99/93/24/655999324.db2.gz HMTFOTDFLCNRIA-RVKKMQEKSA-N 1 0 392.297 2.843 20 0 GFADRO O=C(NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1)C1SCCS1 ZINC000761156095 656000788 /nfs/dbraw/zinc/00/07/88/656000788.db2.gz MZQQOTADRSEEMI-UHFFFAOYSA-N 1 0 385.986 2.774 20 0 GFADRO C[C@H](CN1C(=O)N[C@](C)(c2cccc(Br)c2)C1=O)[N@H+](C)C1CC1 ZINC000761228855 656003826 /nfs/dbraw/zinc/00/38/26/656003826.db2.gz OHCGIKCEZKEWPF-PIGZYNQJSA-N 1 0 380.286 2.699 20 0 GFADRO CCCN(C(=O)[C@@H](C)SCC[NH+](C(C)C)C(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000762199006 656035888 /nfs/dbraw/zinc/03/58/88/656035888.db2.gz KLDYIVPZWUGSNO-SJORKVTESA-N 1 0 392.631 2.653 20 0 GFADRO Cc1csc(SCc2ccccc2C(=O)NC[C@@]2(O)CC[N@@H+](C)C2)n1 ZINC000762716188 656056941 /nfs/dbraw/zinc/05/69/41/656056941.db2.gz ILYMDAKZPJMDQV-SFHVURJKSA-N 1 0 377.535 2.540 20 0 GFADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]C[C@H](C)CC(F)(F)F ZINC000840964909 661221289 /nfs/dbraw/zinc/22/12/89/661221289.db2.gz XOTKYXDHLQQONH-MWLCHTKSSA-N 1 0 387.855 2.883 20 0 GFADRO O=S(=O)(CC[NH2+]Cc1ccc(Br)c(Br)c1)C1CC1 ZINC000840965027 661222149 /nfs/dbraw/zinc/22/21/49/661222149.db2.gz WDRYNPAIFRDGQU-UHFFFAOYSA-N 1 0 397.132 2.878 20 0 GFADRO C[NH2+]CC1CCN(C(=O)Nc2cc3c(cc2Br)OCCO3)CC1 ZINC000841013998 661226949 /nfs/dbraw/zinc/22/69/49/661226949.db2.gz DCRZITYSAWKLLD-UHFFFAOYSA-N 1 0 384.274 2.684 20 0 GFADRO CC1(C)C[NH2+]CC[C@@H]1NC(=O)Nc1cc2c(cc1Br)OCCO2 ZINC000841014478 661227263 /nfs/dbraw/zinc/22/72/63/661227263.db2.gz FMFWJLGVOXRFSF-AWEZNQCLSA-N 1 0 384.274 2.730 20 0 GFADRO Cc1c(Br)cc(C(=O)Nc2ccc(C[NH+](C)C)c(F)c2)c(=O)n1C ZINC000765415674 656142205 /nfs/dbraw/zinc/14/22/05/656142205.db2.gz ZCWUMGVPGHLZFJ-UHFFFAOYSA-N 1 0 396.260 2.909 20 0 GFADRO CC[S@](=O)CC[NH2+]Cc1cc(Br)cc(Br)c1N ZINC000765926157 656154885 /nfs/dbraw/zinc/15/48/85/656154885.db2.gz LPKMQJNMCSNILJ-KRWDZBQOSA-N 1 0 384.137 2.652 20 0 GFADRO O=S(=O)(N1CCC(C[NH2+]C2C3CC4CC(C3)CC2C4)CC1)C(F)(F)F ZINC000765935379 656155693 /nfs/dbraw/zinc/15/56/93/656155693.db2.gz LMCPTVIHMGIMGC-UHFFFAOYSA-N 1 0 380.476 2.962 20 0 GFADRO CCC[C@@H]1CN(C(=O)N[C@@H]2CC[C@@H]3SCCS[C@H]23)CC[N@@H+]1CCOC ZINC000766824253 656184975 /nfs/dbraw/zinc/18/49/75/656184975.db2.gz JFWSIZWOVKUIMB-WCXIOVBPSA-N 1 0 387.615 2.508 20 0 GFADRO Cn1cc([C@H](O)C[C@@H]2CCC[N@@H+]2C[C@H](O)c2ccccc2Br)cn1 ZINC000766961496 656189621 /nfs/dbraw/zinc/18/96/21/656189621.db2.gz QMCPGHOZFINRHR-QGTPRVQTSA-N 1 0 394.313 2.804 20 0 GFADRO Cn1cc([C@H](O)C[C@H]2CCC[N@@H+]2C[C@@H](O)c2ccccc2Br)cn1 ZINC000766961498 656189645 /nfs/dbraw/zinc/18/96/45/656189645.db2.gz QMCPGHOZFINRHR-ZTFGCOKTSA-N 1 0 394.313 2.804 20 0 GFADRO C[C@H](NC(=O)C[N@H+](C)[C@@H]1CCSC1)[C@@H](O)c1c(Cl)cccc1Cl ZINC000767088966 656193900 /nfs/dbraw/zinc/19/39/00/656193900.db2.gz QIWRVRPRIWZJAQ-LYOVBCGYSA-N 1 0 377.337 2.969 20 0 GFADRO CC1(C)[NH2+]CC[C@@H]1NC(=O)Nc1cnc(Br)c(Br)c1 ZINC000841141773 661236932 /nfs/dbraw/zinc/23/69/32/661236932.db2.gz KMCZDKICILZKKP-VIFPVBQESA-N 1 0 392.095 2.869 20 0 GFADRO O=C(NCC[C@H]1CC[NH2+]C1)Nc1cnc(Br)c(Br)c1 ZINC000841143287 661237788 /nfs/dbraw/zinc/23/77/88/661237788.db2.gz WVPIVVJTZZMJCV-MRVPVSSYSA-N 1 0 392.095 2.728 20 0 GFADRO Cc1ccc(NC(=O)C(=O)NCC[NH2+]C2CCCCCC2)c(Br)n1 ZINC000841184497 661242218 /nfs/dbraw/zinc/24/22/18/661242218.db2.gz WOOTXSAYJXRLHF-UHFFFAOYSA-N 1 0 397.317 2.520 20 0 GFADRO C[C@@H](NC(=O)C(=O)Nc1ccccc1SC(F)(F)F)[C@H]1CCC[NH2+]C1 ZINC000841158412 661239805 /nfs/dbraw/zinc/23/98/05/661239805.db2.gz GFVXHTXIKHYKDM-MNOVXSKESA-N 1 0 375.416 2.741 20 0 GFADRO C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)Nc1cnc(Cl)c(Br)c1 ZINC000841187671 661242996 /nfs/dbraw/zinc/24/29/96/661242996.db2.gz XLPRQFMAUQYQSH-XVKPBYJWSA-N 1 0 377.670 2.732 20 0 GFADRO C[N@H+](CCOC(=O)c1sccc1NS(C)(=O)=O)Cc1ccc(F)cc1 ZINC000769090029 656264837 /nfs/dbraw/zinc/26/48/37/656264837.db2.gz KZGPILLDHPAUFE-UHFFFAOYSA-N 1 0 386.470 2.548 20 0 GFADRO O=C(Nc1ccc2cc(Br)ccc2c1)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000841220220 661245324 /nfs/dbraw/zinc/24/53/24/661245324.db2.gz KQMTZVZEXRBMMY-OAHLLOKOSA-N 1 0 390.281 2.799 20 0 GFADRO CC(=O)N1CCC([NH+]2CCN(Cc3ccc(Br)c(F)c3)CC2)CC1 ZINC000769519633 656279324 /nfs/dbraw/zinc/27/93/24/656279324.db2.gz VMXJYINAXYHLHZ-UHFFFAOYSA-N 1 0 398.320 2.717 20 0 GFADRO Cc1ccc(/C=C/C(=O)N[C@@H](C)CC[NH+]2CCN(C)CC2)c(Br)c1 ZINC000770173107 656310186 /nfs/dbraw/zinc/31/01/86/656310186.db2.gz LBFFHPNHWVLGEJ-MOEXGYKKSA-N 1 0 394.357 2.913 20 0 GFADRO O=C(Nc1cccnc1Br)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000770274792 656314268 /nfs/dbraw/zinc/31/42/68/656314268.db2.gz IHWDYWUDDLVHAZ-CYBMUJFWSA-N 1 0 383.290 2.609 20 0 GFADRO COc1ccc2nc(Cl)ccc2c1S(=O)(=O)N(C)CC[N@H+](C)C1CC1 ZINC000770284693 656315119 /nfs/dbraw/zinc/31/51/19/656315119.db2.gz XUAXVSZPWKUYOU-UHFFFAOYSA-N 1 0 383.901 2.612 20 0 GFADRO CC(C)[NH+](CCNC(=O)c1cccnc1I)C(C)C ZINC000770548405 656322630 /nfs/dbraw/zinc/32/26/30/656322630.db2.gz DYVQOHPKVMYWKW-UHFFFAOYSA-N 1 0 375.254 2.535 20 0 GFADRO COC(=O)C[C@@]1([NH2+]Cc2cc(Br)cc3c2OCC3)CCCOC1 ZINC000770674108 656326351 /nfs/dbraw/zinc/32/63/51/656326351.db2.gz AMQFPAGXEPRXLP-KRWDZBQOSA-N 1 0 384.270 2.586 20 0 GFADRO O=C(NC[C@H](O)c1ccccc1Br)Nc1cccc2c1CC[NH2+]C2 ZINC000841309650 661251666 /nfs/dbraw/zinc/25/16/66/661251666.db2.gz ZCAVQHOPKZWDPR-KRWDZBQOSA-N 1 0 390.281 2.950 20 0 GFADRO C[N@@H+]1CCN(CCCNC(=O)c2csc(Cl)n2)[C@H](c2ccccc2)C1 ZINC000771620788 656357534 /nfs/dbraw/zinc/35/75/34/656357534.db2.gz NHHDYHCPMSXSIJ-INIZCTEOSA-N 1 0 378.929 2.905 20 0 GFADRO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)c1cc(=O)c2cc(Br)ccc2o1 ZINC000841384175 661256972 /nfs/dbraw/zinc/25/69/72/661256972.db2.gz ULPFZQKRROXWEG-LLVKDONJSA-N 1 0 391.265 2.770 20 0 GFADRO CC[N@H+](CCNC(=O)c1cc(=O)c2cc(Br)ccc2o1)C1CC1 ZINC000841388323 661257547 /nfs/dbraw/zinc/25/75/47/661257547.db2.gz DLSMWVHQVKDSLA-UHFFFAOYSA-N 1 0 379.254 2.770 20 0 GFADRO CN(CC[NH+]1CCCC1)C(=O)c1cc(=O)c2cc(Br)ccc2o1 ZINC000841389043 661257877 /nfs/dbraw/zinc/25/78/77/661257877.db2.gz ASYDLOXEOXTOJU-UHFFFAOYSA-N 1 0 379.254 2.723 20 0 GFADRO C[C@@H](CNS(=O)(=O)c1ccc2nc(Cl)cnc2c1)C[NH+]1CCCCC1 ZINC000772921495 656393795 /nfs/dbraw/zinc/39/37/95/656393795.db2.gz QYLCLMJRUPFAMI-ZDUSSCGKSA-N 1 0 382.917 2.684 20 0 GFADRO CCNS(=O)(=O)CC[NH2+][C@@H]1CCCc2nc(-c3ccc(F)cc3)sc21 ZINC000772968652 656395949 /nfs/dbraw/zinc/39/59/49/656395949.db2.gz YOKVBQBUVKIVKY-CQSZACIVSA-N 1 0 383.514 2.856 20 0 GFADRO O=S(=O)(C(F)F)N1CCC(C[NH2+][C@H]2Cc3ccc(Cl)cc3C2)CC1 ZINC000772980183 656396242 /nfs/dbraw/zinc/39/62/42/656396242.db2.gz ZHARXCIVHUSMHT-HNNXBMFYSA-N 1 0 378.872 2.661 20 0 GFADRO CC(C)C([NH2+][C@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1)C(C)C ZINC000773082570 656398994 /nfs/dbraw/zinc/39/89/94/656398994.db2.gz WNAOMRZGFLVGCL-CQSZACIVSA-N 1 0 390.571 2.743 20 0 GFADRO COc1ccc(Cl)cc1C[NH2+]CCOc1ccc(NS(C)(=O)=O)cc1 ZINC000773427933 656446542 /nfs/dbraw/zinc/44/65/42/656446542.db2.gz SQZSCAMFJXXVFZ-UHFFFAOYSA-N 1 0 384.885 2.889 20 0 GFADRO CCC(C)(C)NC(=S)N(CC[NH+](C(C)C)C(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000774154497 656497423 /nfs/dbraw/zinc/49/74/23/656497423.db2.gz WQAWZCRPMIAKBN-MRXNPFEDSA-N 1 0 391.647 2.657 20 0 GFADRO Cc1cc(Br)ncc1NC(=O)C(=O)NCCCCCCC[NH+](C)C ZINC000774165431 656498792 /nfs/dbraw/zinc/49/87/92/656498792.db2.gz OAANDVUOQBMOPZ-UHFFFAOYSA-N 1 0 399.333 2.719 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)C(=O)Nc1cccnc1Cl)c1ccc(Cl)cc1 ZINC000774287645 656514525 /nfs/dbraw/zinc/51/45/25/656514525.db2.gz HEIVHSZAQRBFFV-CQSZACIVSA-N 1 0 381.263 2.746 20 0 GFADRO CCOC(=O)N1CCC([NH2+]C[C@H](O)c2ccc(F)c(Br)c2)CC1 ZINC000774580952 656538981 /nfs/dbraw/zinc/53/89/81/656538981.db2.gz WUEDDSVGTMDSBX-HNNXBMFYSA-N 1 0 389.265 2.832 20 0 GFADRO COc1ccc([C@H](O)C[NH2+]C[C@H](O)c2ccc(F)c(Br)c2)cc1 ZINC000774610906 656540287 /nfs/dbraw/zinc/54/02/87/656540287.db2.gz LBMOJPWOOWIXPR-SJORKVTESA-N 1 0 384.245 2.953 20 0 GFADRO COc1ccccc1[C@@H](O)C[NH2+]C[C@@H](O)c1ccc(F)c(Br)c1 ZINC000774608141 656540367 /nfs/dbraw/zinc/54/03/67/656540367.db2.gz GLYBMMZISIJAHQ-CVEARBPZSA-N 1 0 384.245 2.953 20 0 GFADRO C[NH+]1CCC(CCO)(NCc2nc3ccc(Br)cc3s2)CC1 ZINC000775062550 656590618 /nfs/dbraw/zinc/59/06/18/656590618.db2.gz BJIVZKUEADHSRW-UHFFFAOYSA-N 1 0 384.343 2.995 20 0 GFADRO O=S(=O)(NCC[NH2+][C@@H]1CC[C@H]2SCCS[C@@H]12)c1cccc(Cl)c1 ZINC000775381814 656634442 /nfs/dbraw/zinc/63/44/42/656634442.db2.gz NAVYTLNORVPMRS-KFWWJZLASA-N 1 0 392.999 2.588 20 0 GFADRO OC[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CC[C@H]2SCCS[C@H]12 ZINC000775391004 656636139 /nfs/dbraw/zinc/63/61/39/656636139.db2.gz BMTFIFZCFLVMGN-CENDIDJXSA-N 1 0 378.607 2.839 20 0 GFADRO Cc1cc(S(=O)(=O)NCC[NH2+][C@@H]2CC[C@@H]3SCCS[C@H]23)c(C)s1 ZINC000775415625 656638175 /nfs/dbraw/zinc/63/81/75/656638175.db2.gz TVXKUWDHDWLLRO-VNHYZAJKSA-N 1 0 392.637 2.612 20 0 GFADRO C[C@@H](Cc1cnccn1)[NH2+][C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000775498184 656644441 /nfs/dbraw/zinc/64/44/41/656644441.db2.gz YBKPCDWQPRQEKT-XHDPSFHLSA-N 1 0 396.310 2.678 20 0 GFADRO C[C@@H]1CCOCC[N@@H+]1C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000775567564 656650223 /nfs/dbraw/zinc/65/02/23/656650223.db2.gz JKFBZJCPSPJRQR-DGCLKSJQSA-N 1 0 378.694 2.953 20 0 GFADRO CS[C@@H]1CN(C(=O)c2cc(Cl)c3c(c2)OCCO3)C[C@H]1[NH+]1CCCC1 ZINC000776209866 656720544 /nfs/dbraw/zinc/72/05/44/656720544.db2.gz AIYHIEJJZMMFER-GDBMZVCRSA-N 1 0 382.913 2.763 20 0 GFADRO Cc1ccc([C@@H](C)[NH2+]C2CCN(S(=O)(=O)c3c(C)n[nH]c3C)CC2)s1 ZINC000779340242 656920821 /nfs/dbraw/zinc/92/08/21/656920821.db2.gz HZUGGAVCYVFEFN-GFCCVEGCSA-N 1 0 382.555 2.900 20 0 GFADRO Cc1ccc([C@H](C)[NH2+]C2CCN(S(=O)(=O)c3c(C)n[nH]c3C)CC2)s1 ZINC000779340259 656920930 /nfs/dbraw/zinc/92/09/30/656920930.db2.gz HZUGGAVCYVFEFN-LBPRGKRZSA-N 1 0 382.555 2.900 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2Cn1nc(C(F)(F)F)sc1=S ZINC000780443483 657006323 /nfs/dbraw/zinc/00/63/23/657006323.db2.gz JYZLVFKCTHHJMQ-MXWKQRLJSA-N 1 0 382.477 2.834 20 0 GFADRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1Cn1nc(Cc2cccs2)oc1=S ZINC000780477923 657008647 /nfs/dbraw/zinc/00/86/47/657008647.db2.gz BSYVAVPCUHDOGP-CYBMUJFWSA-N 1 0 382.555 2.592 20 0 GFADRO O=C(NCc1ccccc1C[N@H+]1CCC[C@H]1CO)NC[C@H]1CC1(Cl)Cl ZINC000781921551 657089605 /nfs/dbraw/zinc/08/96/05/657089605.db2.gz UAIXYBLNCBKOOL-CVEARBPZSA-N 1 0 386.323 2.636 20 0 GFADRO CCO[C@@H]1C[C@](CO)([NH2+]C[C@H](O)COc2cc(Cl)ccc2Cl)C1(C)C ZINC000782016116 657095698 /nfs/dbraw/zinc/09/56/98/657095698.db2.gz ZPDXGERXIYLDNB-FDQGKXFDSA-N 1 0 392.323 2.889 20 0 GFADRO CSCCCCCCNC(=S)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000782202232 657114630 /nfs/dbraw/zinc/11/46/30/657114630.db2.gz HVSAHPTUJKDBRK-GOSISDBHSA-N 1 0 386.675 2.886 20 0 GFADRO CSCCCCCCNC(=S)N1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000782197530 657114817 /nfs/dbraw/zinc/11/48/17/657114817.db2.gz LLKBRBOWIUOYIF-UHFFFAOYSA-N 1 0 386.675 2.744 20 0 GFADRO C[C@@H](CNC(=S)Nc1ccc(Br)cc1)C[NH+]1CCN(C)CC1 ZINC000783728349 657255355 /nfs/dbraw/zinc/25/53/55/657255355.db2.gz BTXJPBBZTUVIFD-ZDUSSCGKSA-N 1 0 385.375 2.619 20 0 GFADRO COc1cc(/C=C\C(=O)NCC2([NH+](C)C)CCC2)cc(Br)c1O ZINC000783750872 657258782 /nfs/dbraw/zinc/25/87/82/657258782.db2.gz ACETVRVMOWWTRP-WAYWQWQTSA-N 1 0 383.286 2.777 20 0 GFADRO C[C@H]1CCC[N@@H+]1CCNC(=O)c1cc(=O)[nH]c2c(Br)cccc12 ZINC000783916180 657272784 /nfs/dbraw/zinc/27/27/84/657272784.db2.gz IBMREGOXDHVIKB-NSHDSACASA-N 1 0 378.270 2.917 20 0 GFADRO C[C@H]1CCC[N@@H+]1CCNC(=O)[C@@H]1CCN(c2cc(Cl)ccc2Cl)C1=O ZINC000783918221 657273407 /nfs/dbraw/zinc/27/34/07/657273407.db2.gz GHDJZIUJGYSQOP-JSGCOSHPSA-N 1 0 384.307 2.947 20 0 GFADRO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]C[C@@H]1CCCCS1 ZINC000784618869 657319191 /nfs/dbraw/zinc/31/91/91/657319191.db2.gz UVPWJWBEOCWSCJ-STQMWFEESA-N 1 0 377.963 2.580 20 0 GFADRO C[C@H](CNC(=O)C(=O)NCCSc1ccc(Cl)cc1)[NH+]1CCCCC1 ZINC000785407551 657362312 /nfs/dbraw/zinc/36/23/12/657362312.db2.gz LTXIWROADVRQSC-CQSZACIVSA-N 1 0 383.945 2.539 20 0 GFADRO COc1ccc([C@H](C[NH2+]Cc2cc(Br)nn2C)N(C)C)cc1OC ZINC000785413511 657363036 /nfs/dbraw/zinc/36/30/36/657363036.db2.gz NJKKUUJEFIMUBG-AWEZNQCLSA-N 1 0 397.317 2.592 20 0 GFADRO C[C@@H]1CN(Cc2cccc(C[NH2+]Cc3cc(Br)nn3C)c2)CCO1 ZINC000785432811 657364257 /nfs/dbraw/zinc/36/42/57/657364257.db2.gz CAJSOQCXBOVDOP-CQSZACIVSA-N 1 0 393.329 2.693 20 0 GFADRO Cc1ccc(N2CCC[C@H]([NH2+]Cc3cc(Br)nn3C)C2=O)cc1 ZINC000785476800 657367326 /nfs/dbraw/zinc/36/73/26/657367326.db2.gz GAHIKESDHJXVKX-HNNXBMFYSA-N 1 0 377.286 2.776 20 0 GFADRO CC(C)[NH+]1CCC(NC(=O)COC(=O)c2ccc(Cl)c(N)c2Cl)CC1 ZINC000786637736 657449499 /nfs/dbraw/zinc/44/94/99/657449499.db2.gz GAIXEAWACOEPDJ-UHFFFAOYSA-N 1 0 388.295 2.721 20 0 GFADRO COc1cc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cnc1Br ZINC000788233032 657679525 /nfs/dbraw/zinc/67/95/25/657679525.db2.gz OSCCYXHEJSRDME-SWLSCSKDSA-N 1 0 394.313 2.942 20 0 GFADRO CCN(CC)S(=O)(=O)c1ccc(CC[NH2+][C@H](C)c2cc[nH]c(=O)c2)s1 ZINC000788588426 657748461 /nfs/dbraw/zinc/74/84/61/657748461.db2.gz MTKKVTZYCXUYHN-CYBMUJFWSA-N 1 0 383.539 2.773 20 0 GFADRO C[NH+](C)CCNC(=S)N[C@H]1CCCN(c2ccc(Cl)cc2Cl)C1 ZINC000788684993 657773964 /nfs/dbraw/zinc/77/39/64/657773964.db2.gz FUJXSXMJGXYUNE-ZDUSSCGKSA-N 1 0 375.369 2.988 20 0 GFADRO C[C@H](C[NH2+][C@H](C)Cn1cc(Br)ccc1=O)NC(=O)OC(C)(C)C ZINC000788796394 657786488 /nfs/dbraw/zinc/78/64/88/657786488.db2.gz GOIUXYWRBIHJRW-VXGBXAGGSA-N 1 0 388.306 2.502 20 0 GFADRO Brc1ccc(C[NH2+]CCOc2cccnc2)c(N2CCOCC2)c1 ZINC000788962154 657803218 /nfs/dbraw/zinc/80/32/18/657803218.db2.gz GGXUREPZFPOUJY-UHFFFAOYSA-N 1 0 392.297 2.849 20 0 GFADRO CO[C@@H](C[NH2+]Cc1ccc(Br)cc1N1CCOCC1)C(F)(F)F ZINC000788962178 657803276 /nfs/dbraw/zinc/80/32/76/657803276.db2.gz HOIOWSZYNAACFT-AWEZNQCLSA-N 1 0 397.235 2.953 20 0 GFADRO CC[N@H+](C[C@@H]1CCOC1)Cn1ncc2c1ccc(Br)c2C(=O)OC ZINC000790446812 657981291 /nfs/dbraw/zinc/98/12/91/657981291.db2.gz QSAOXZZGLAYISE-LBPRGKRZSA-N 1 0 396.285 2.901 20 0 GFADRO Cc1nn(C)c(C[NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1Br ZINC000790469831 657988555 /nfs/dbraw/zinc/98/85/55/657988555.db2.gz ATJZRFFWCDRSOT-GFCCVEGCSA-N 1 0 387.322 2.980 20 0 GFADRO Cc1nn(C)c(C[NH2+]C[C@@H](NC(=O)OC(C)(C)C)C2CC2)c1Br ZINC000790479600 657991911 /nfs/dbraw/zinc/99/19/11/657991911.db2.gz XPJHDKSMCNBBTK-GFCCVEGCSA-N 1 0 387.322 2.884 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)c1nc(Br)ccc1Br ZINC000790507772 657994141 /nfs/dbraw/zinc/99/41/41/657994141.db2.gz LTUQRQKQKXBSIF-MRVPVSSYSA-N 1 0 389.091 2.573 20 0 GFADRO CC(C)(CNS(=O)(=O)c1ccc2nc(Cl)cnc2c1)C[NH+]1CCCC1 ZINC000790936289 658047118 /nfs/dbraw/zinc/04/71/18/658047118.db2.gz PNSPAASCZRGULZ-UHFFFAOYSA-N 1 0 382.917 2.684 20 0 GFADRO CN1CC[NH+]([C@H]2CC[C@@H](NC(=O)c3cc(Cl)c(N)c(Cl)c3)CC2)CC1 ZINC000791145926 658061302 /nfs/dbraw/zinc/06/13/02/658061302.db2.gz AQLVUWIZADMEKS-OKILXGFUSA-N 1 0 385.339 2.864 20 0 GFADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)Cc2cccnc2Br)[C@@H](C)C1 ZINC000791368872 658087947 /nfs/dbraw/zinc/08/79/47/658087947.db2.gz XIGLXQRKSOGMQU-HOCLYGCPSA-N 1 0 398.345 2.640 20 0 GFADRO CC(C)[NH+]1CCN(CCCOC(=O)c2ccc(Br)cc2O)CC1 ZINC000791795565 658179310 /nfs/dbraw/zinc/17/93/10/658179310.db2.gz QWDBXHWETNNKEQ-UHFFFAOYSA-N 1 0 385.302 2.728 20 0 GFADRO C[C@@H]1CCC[N@@H+]1CCNC(=O)C(=O)Nc1cccc(Cl)c1Br ZINC000792236192 658256260 /nfs/dbraw/zinc/25/62/60/658256260.db2.gz WRHRBDKVGIRJSE-SNVBAGLBSA-N 1 0 388.693 2.642 20 0 GFADRO C[NH+](C)CCN(Cc1cccc(O)c1)C(=O)c1nc(Br)ccc1F ZINC000792237351 658257094 /nfs/dbraw/zinc/25/70/94/658257094.db2.gz BQEROVGJROYPDN-UHFFFAOYSA-N 1 0 396.260 2.893 20 0 GFADRO CO[C@@H]1CCC[C@@H]([NH2+]CCOc2ccc(S(=O)(=O)C(F)(F)F)cc2)C1 ZINC000793029066 658348737 /nfs/dbraw/zinc/34/87/37/658348737.db2.gz NUBUMEVNMGRWJS-TZMCWYRMSA-N 1 0 381.416 2.906 20 0 GFADRO Cc1nc(SC(F)F)sc1CC(=O)NCCCC[NH+]1CCOCC1 ZINC000793075353 658355934 /nfs/dbraw/zinc/35/59/34/658355934.db2.gz AVBYICNOVDICDE-UHFFFAOYSA-N 1 0 379.498 2.537 20 0 GFADRO C[C@H]1CO[C@H](c2cccc(C(F)(F)F)c2)CN1C(=S)NCC[NH+](C)C ZINC000793257716 658377959 /nfs/dbraw/zinc/37/79/59/658377959.db2.gz WUYBIFSTPRECPG-WFASDCNBSA-N 1 0 375.460 2.903 20 0 GFADRO C[C@@H]1CN(C(=S)NCC[NH+](C)C)C[C@H](c2cccc(C(F)(F)F)c2)O1 ZINC000793288887 658381323 /nfs/dbraw/zinc/38/13/23/658381323.db2.gz RPZSEOLVLXEOHQ-IUODEOHRSA-N 1 0 375.460 2.903 20 0 GFADRO CC[NH+](CC)CC[C@H](CO)NC(=O)Nc1cnc(Cl)c(Br)c1 ZINC000794283049 658511364 /nfs/dbraw/zinc/51/13/64/658511364.db2.gz DGAHGHYBUGRHMP-SNVBAGLBSA-N 1 0 393.713 2.712 20 0 GFADRO CCS[C@@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1ccccc1S(=O)(=O)C(F)F ZINC000794605928 658575966 /nfs/dbraw/zinc/57/59/66/658575966.db2.gz UDSOPJJJBLQHDS-WCQYABFASA-N 1 0 392.493 2.885 20 0 GFADRO CC[NH+](CC)C[C@H]1CCN(Cn2c(=O)oc3cccc(Br)c32)C1 ZINC000794635812 658587718 /nfs/dbraw/zinc/58/77/18/658587718.db2.gz GEQGMXQFVKUZBU-CYBMUJFWSA-N 1 0 382.302 2.978 20 0 GFADRO C[C@@H]([NH2+]CCOc1cccnc1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000794810619 658616783 /nfs/dbraw/zinc/61/67/83/658616783.db2.gz UOURDKFBCDUFCN-SNVBAGLBSA-N 1 0 390.292 2.765 20 0 GFADRO COc1cc[nH+]c(N2CCN(C(=S)NCCCCC(F)(F)F)CC2)c1 ZINC000794977780 658643659 /nfs/dbraw/zinc/64/36/59/658643659.db2.gz KFZOFDCEGRMKDG-UHFFFAOYSA-N 1 0 376.448 2.819 20 0 GFADRO Cc1nn(-c2ccccn2)c(Cl)c1C[NH2+][C@@H]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000796310605 658912212 /nfs/dbraw/zinc/91/22/12/658912212.db2.gz BBSCBOWSIBKXPF-ZIAGYGMSSA-N 1 0 382.917 2.675 20 0 GFADRO Cc1cc(Br)cc(C[NH2+]C[C@@H]2CCCC[C@@H]2NS(C)(=O)=O)c1 ZINC000796492855 658919539 /nfs/dbraw/zinc/91/95/39/658919539.db2.gz YTRCGHDEWPTVIZ-HOCLYGCPSA-N 1 0 389.359 2.955 20 0 GFADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]C[C@H]1CCC(F)(F)C1 ZINC000797468213 659027668 /nfs/dbraw/zinc/02/76/68/659027668.db2.gz JWBDBQVYOXJSNF-NWDGAFQWSA-N 1 0 381.876 2.730 20 0 GFADRO Cc1nc(C)c(S(=O)(=O)NC[C@]2(C)CC[N@H+](Cc3ccccc3)C2)s1 ZINC000798458809 659108123 /nfs/dbraw/zinc/10/81/23/659108123.db2.gz UCGZOQZMGPWRSQ-SFHVURJKSA-N 1 0 379.551 2.950 20 0 GFADRO CC(C)(C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccccc1Br ZINC000798939700 659157947 /nfs/dbraw/zinc/15/79/47/659157947.db2.gz SVWOSKCEAUBLIO-KGLIPLIRSA-N 1 0 381.314 2.706 20 0 GFADRO O=C1N[C@H]2CC[N@@H+](CC3=Cc4cc(Br)ccc4OC3)C[C@@H]2CO1 ZINC000798957344 659158123 /nfs/dbraw/zinc/15/81/23/659158123.db2.gz AYVIBHYXSZLYER-HIFRSBDPSA-N 1 0 379.254 2.655 20 0 GFADRO C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCN2Cn2cc(I)cn2)C1 ZINC000799157166 659168941 /nfs/dbraw/zinc/16/89/41/659168941.db2.gz POUIPNNAAQJZRV-NGFQHRJXSA-N 1 0 389.281 2.707 20 0 GFADRO O=C(COc1ccc(I)cc1)OCCC[NH+]1CCCC1 ZINC000800098759 659269465 /nfs/dbraw/zinc/26/94/65/659269465.db2.gz KCVBVCLIRQSSAH-UHFFFAOYSA-N 1 0 389.233 2.699 20 0 GFADRO CC[NH+](CC)CCCOC(=O)CN(C)C(=O)c1ccc(Br)s1 ZINC000800143365 659276528 /nfs/dbraw/zinc/27/65/28/659276528.db2.gz ZRXIZIDLUAZOSS-UHFFFAOYSA-N 1 0 391.331 2.858 20 0 GFADRO Cc1nn(C)c(Br)c1C(=O)NC[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000800838286 659336084 /nfs/dbraw/zinc/33/60/84/659336084.db2.gz AUZLDVMZRPOXPJ-LBPRGKRZSA-N 1 0 391.313 2.668 20 0 GFADRO Cn1c(Cl)cnc1C[NH2+]CCOc1ccc(I)cc1 ZINC000800889052 659343464 /nfs/dbraw/zinc/34/34/64/659343464.db2.gz IEQVTFBNDZZDQV-UHFFFAOYSA-N 1 0 391.640 2.847 20 0 GFADRO CC(C)(CNS(=O)(=O)c1cc2c(cc1Cl)CCC2=O)C[NH+]1CCCC1 ZINC000800934678 659352986 /nfs/dbraw/zinc/35/29/86/659352986.db2.gz CGONQYSKPCMOGI-UHFFFAOYSA-N 1 0 384.929 2.869 20 0 GFADRO CN1CCN(C(=O)CC[N@@H+]2CCC[C@@H]2Cc2ccc(Br)cc2)CC1 ZINC000801512259 659400336 /nfs/dbraw/zinc/40/03/36/659400336.db2.gz RVLSGKFNTFZELG-GOSISDBHSA-N 1 0 394.357 2.620 20 0 GFADRO C[C@@H](CCNS(=O)(=O)c1ccccc1)[NH2+]Cc1occc1Br ZINC000801734773 659420324 /nfs/dbraw/zinc/42/03/24/659420324.db2.gz IVNUGVWTSTVDQX-LBPRGKRZSA-N 1 0 387.299 2.889 20 0 GFADRO CCN1CC[C@@H]([NH2+]CCS(=O)(=O)C(C)C)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000801955785 659436761 /nfs/dbraw/zinc/43/67/61/659436761.db2.gz RKMJPUHTGNEAPQ-NVXWUHKLSA-N 1 0 378.460 2.652 20 0 GFADRO COc1ccc(Br)c(C(=O)OC[C@H]2C[N@H+](CC(C)C)CCO2)c1 ZINC000803688844 659596770 /nfs/dbraw/zinc/59/67/70/659596770.db2.gz CUDKHCXCDBVRRY-CQSZACIVSA-N 1 0 386.286 2.971 20 0 GFADRO COc1ccc([C@@H](C[NH+](C)C)NC(=O)c2cccc(Br)n2)cc1 ZINC000803806942 659606270 /nfs/dbraw/zinc/60/62/70/659606270.db2.gz FAGWVJVBHWNACT-OAHLLOKOSA-N 1 0 378.270 2.885 20 0 GFADRO C[N@@H+]1CCCC[C@H]1CCC(=O)O[C@H](C(N)=O)c1ccc(Br)cc1 ZINC000803858590 659610386 /nfs/dbraw/zinc/61/03/86/659610386.db2.gz GZWKORFFJXAWLK-HOCLYGCPSA-N 1 0 383.286 2.783 20 0 GFADRO CC[N@@H+]1CCN(C(=O)/C=C/c2cc(Br)c(O)c(OC)c2)[C@H](C)C1 ZINC000804380317 659640822 /nfs/dbraw/zinc/64/08/22/659640822.db2.gz HOBONXGZKRYDDA-BTDICHCPSA-N 1 0 383.286 2.729 20 0 GFADRO Cc1cccc(N2CC[NH+](CCC(=O)NCC(F)(F)Br)CC2)c1 ZINC000805245661 659759236 /nfs/dbraw/zinc/75/92/36/659759236.db2.gz XNDISROQBVEHSW-UHFFFAOYSA-N 1 0 390.272 2.611 20 0 GFADRO Cc1cc(NC(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)c(F)cc1Br ZINC000806812488 659842060 /nfs/dbraw/zinc/84/20/60/659842060.db2.gz HXSQURHNMVJCTF-NWDGAFQWSA-N 1 0 386.265 2.881 20 0 GFADRO CC[C@@H](C)[NH2+][C@H](CNC(=O)c1c(C)nn(C)c1Br)c1ccco1 ZINC000807681369 659862024 /nfs/dbraw/zinc/86/20/24/659862024.db2.gz IQDCBKAFQDHTIB-ZYHUDNBSSA-N 1 0 383.290 2.943 20 0 GFADRO Cc1cc(S(=O)(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)cnc1Cl ZINC000808326289 659888598 /nfs/dbraw/zinc/88/85/98/659888598.db2.gz OVEQCRYJTAXYTO-PBHICJAKSA-N 1 0 379.913 2.985 20 0 GFADRO Cc1cc(Br)cn2c(C[NH2+][C@@H]3COc4ccccc4[C@H]3O)cnc12 ZINC000808455324 659894763 /nfs/dbraw/zinc/89/47/63/659894763.db2.gz YJBCMMOANOLTHF-NVXWUHKLSA-N 1 0 388.265 2.989 20 0 GFADRO CON(C)C(=O)CC[NH2+][C@H](CO)c1ccc(Br)cc1C(F)(F)F ZINC000808756493 659904616 /nfs/dbraw/zinc/90/46/16/659904616.db2.gz NQMUHBSWUQLFPJ-GFCCVEGCSA-N 1 0 399.207 2.501 20 0 GFADRO CCS(=O)(=O)N1CCC([C@H](C)[N@H+](C)C[C@H](O)c2ccc(Cl)cc2)CC1 ZINC000808775526 659905543 /nfs/dbraw/zinc/90/55/43/659905543.db2.gz DDSIISLSQUMZER-KSSFIOAISA-N 1 0 388.961 2.755 20 0 GFADRO OC[C@@H]1CCC[N@@H+]1Cc1ccccc1CNc1cnc(Br)cn1 ZINC000809356485 659924146 /nfs/dbraw/zinc/92/41/46/659924146.db2.gz OXYICACIAAMWTN-HNNXBMFYSA-N 1 0 377.286 2.808 20 0 GFADRO O=C(C[N@H+]1CCC[C@H]([C@H](O)c2ccc(Br)cc2)C1)NCC1CC1 ZINC000810048787 659957835 /nfs/dbraw/zinc/95/78/35/659957835.db2.gz MLPYDXDJKGWAHN-MAUKXSAKSA-N 1 0 381.314 2.721 20 0 GFADRO Nc1nc(N2CCC[C@H](OC(=O)c3cccc(Br)c3F)C2)cc[nH+]1 ZINC000810761920 659985092 /nfs/dbraw/zinc/98/50/92/659985092.db2.gz USESLOARYGFHPL-JTQLQIEISA-N 1 0 395.232 2.786 20 0 GFADRO Nc1nc(N2CCC[C@H](OC(=O)c3ccccc3Br)C2)cc[nH+]1 ZINC000810766278 659985101 /nfs/dbraw/zinc/98/51/01/659985101.db2.gz JSKMGVCLGRCNSO-NSHDSACASA-N 1 0 377.242 2.647 20 0 GFADRO Nc1nc(N2CCC[C@@H](OC(=O)c3cscc3Br)C2)cc[nH+]1 ZINC000810769103 659985340 /nfs/dbraw/zinc/98/53/40/659985340.db2.gz CSUUHJRKBJBBQY-SECBINFHSA-N 1 0 383.271 2.709 20 0 GFADRO O=S(=O)(N1CCC([NH2+]Cc2ccc3c(c2)CCCC3)CC1)C(F)(F)F ZINC000813773515 660064617 /nfs/dbraw/zinc/06/46/17/660064617.db2.gz XSOOEQURATXBOY-UHFFFAOYSA-N 1 0 376.444 2.969 20 0 GFADRO CCOC(=O)N1CCC([NH2+][C@@H](CO)c2ccc(Br)c(F)c2)CC1 ZINC000814177727 660073932 /nfs/dbraw/zinc/07/39/32/660073932.db2.gz NBROGQFZTCNXDA-HNNXBMFYSA-N 1 0 389.265 2.832 20 0 GFADRO CN(C)C(=O)NCC[N@H+](C)C[C@](C)(O)c1ccc(Br)cc1Cl ZINC000815081189 660110459 /nfs/dbraw/zinc/11/04/59/660110459.db2.gz USGBYJVZLCBALR-HNNXBMFYSA-N 1 0 392.725 2.513 20 0 GFADRO C[C@](O)(C[NH2+][C@@H]1CCCC[C@@H]1C(N)=O)c1ccc(Br)cc1Cl ZINC000815089267 660111021 /nfs/dbraw/zinc/11/10/21/660111021.db2.gz BTYIVBCTWWWPGV-PEYYIBSZSA-N 1 0 389.721 2.944 20 0 GFADRO OC[C@]1([C@H]([NH2+]C[C@@H](O)c2ccc(F)c(Br)c2)C2CC2)CCCO1 ZINC000815292852 660120078 /nfs/dbraw/zinc/12/00/78/660120078.db2.gz RHLDKEGUPAHARR-ZACQAIPSSA-N 1 0 388.277 2.531 20 0 GFADRO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)c1nc(Br)ccc1Br ZINC000816766957 660168226 /nfs/dbraw/zinc/16/82/26/660168226.db2.gz LTLDDSWVJGSAEW-PSASIEDQSA-N 1 0 391.107 2.771 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)[C@@H]1CSC(c2ccccc2O)=N1)c1cccs1 ZINC000816815778 660169403 /nfs/dbraw/zinc/16/94/03/660169403.db2.gz CSUCVVIPZKWPIV-KBPBESRZSA-N 1 0 375.519 2.735 20 0 GFADRO C[NH+](C)CCN(Cc1ccsc1)S(=O)(=O)C1=Cc2ccccc2OC1 ZINC000841546223 661295547 /nfs/dbraw/zinc/29/55/47/661295547.db2.gz DBKQGZBWONHRBY-UHFFFAOYSA-N 1 0 378.519 2.875 20 0 GFADRO C[C@H](NC(=O)N(C)C[C@H](O)c1ccccc1Br)[C@H]1CCC[NH2+]C1 ZINC000841928434 661317996 /nfs/dbraw/zinc/31/79/96/661317996.db2.gz RDXZEAMUTGQBAX-XEZPLFJOSA-N 1 0 384.318 2.512 20 0 GFADRO CN(C[C@H](O)c1ccccc1Br)C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000841972349 661318640 /nfs/dbraw/zinc/31/86/40/661318640.db2.gz FZARFSXWIDEVQO-RDJZCZTQSA-N 1 0 384.318 2.514 20 0 GFADRO O=C(CN1C(=S)N=NC1c1cccs1)NCCC[NH+]1CCCCCC1 ZINC000842224321 661329166 /nfs/dbraw/zinc/32/91/66/661329166.db2.gz CDCGCPDCDIXTQQ-UHFFFAOYSA-N 1 0 379.555 2.678 20 0 GFADRO COc1ccc2nc(Cl)ccc2c1S(=O)(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000842484930 661341754 /nfs/dbraw/zinc/34/17/54/661341754.db2.gz CLBSMASKDRMJMX-NEPJUHHUSA-N 1 0 383.901 2.502 20 0 GFADRO [NH3+]C1(c2noc(-c3ccc(N4CCCS4(=O)=O)cc3Cl)n2)CCCC1 ZINC000842590060 661344850 /nfs/dbraw/zinc/34/48/50/661344850.db2.gz WRJNFLXAGJQLBK-UHFFFAOYSA-N 1 0 382.873 2.658 20 0 GFADRO CS(=O)(=O)[C@@H]1CCC[C@@H]([NH2+]Cc2cc(Br)cnc2Cl)C1 ZINC000842682808 661349084 /nfs/dbraw/zinc/34/90/84/661349084.db2.gz NJOIODULTXQSCY-VXGBXAGGSA-N 1 0 381.723 2.943 20 0 GFADRO COc1ccc(S(=O)(=O)NCc2ccc(CC[NH3+])cc2)c(Cl)c1Cl ZINC000842701810 661349930 /nfs/dbraw/zinc/34/99/30/661349930.db2.gz ZKCAKTGPVIWCMU-UHFFFAOYSA-N 1 0 389.304 2.982 20 0 GFADRO C[NH2+]CCC1CCN(S(=O)(=O)c2sc(C(=O)OC)c(Cl)c2C)CC1 ZINC000842825050 661356291 /nfs/dbraw/zinc/35/62/91/661356291.db2.gz IIEGCPPXVHBNAS-UHFFFAOYSA-N 1 0 394.946 2.507 20 0 GFADRO O=S(=O)(c1ccc(C(F)(F)F)cn1)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000842875361 661358344 /nfs/dbraw/zinc/35/83/44/661358344.db2.gz NQDIHWHMKVJRSY-OLZOCXBDSA-N 1 0 377.432 2.501 20 0 GFADRO O=S(=O)(NC[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1)c1cccnc1Cl ZINC000842892069 661359068 /nfs/dbraw/zinc/35/90/68/661359068.db2.gz YCWZMBCGOKPSQR-HIFRSBDPSA-N 1 0 383.876 2.546 20 0 GFADRO COc1cccc([C@H](O)C[NH2+]C[C@@H](O)COc2ccc(Br)cc2)c1 ZINC000843070017 661366217 /nfs/dbraw/zinc/36/62/17/661366217.db2.gz VCVIOXYXIODHHF-CRAIPNDOSA-N 1 0 396.281 2.521 20 0 GFADRO O=S(=O)(CC[NH2+]C[C@H](O)c1ccsc1)c1cccc(Br)c1 ZINC000843084552 661366973 /nfs/dbraw/zinc/36/69/73/661366973.db2.gz QLQFQNMXPAJEOH-AWEZNQCLSA-N 1 0 390.324 2.608 20 0 GFADRO Cc1ccc([C@H](O)C[NH2+]C[C@H](O)COc2cc(F)cc(Br)c2)o1 ZINC000843088746 661367237 /nfs/dbraw/zinc/36/72/37/661367237.db2.gz PGFMKBCDLVFZSV-DZGCQCFKSA-N 1 0 388.233 2.553 20 0 GFADRO O[C@@H](C[NH2+]C[C@@H](O)c1ccccc1Br)COc1ccccc1F ZINC000843094393 661367661 /nfs/dbraw/zinc/36/76/61/661367661.db2.gz JOYBCYWJNKBZOV-BLLLJJGKSA-N 1 0 384.245 2.651 20 0 GFADRO O[C@H](C[NH2+]C[C@@H](O)c1ccccc1F)COc1ccccc1Br ZINC000843098468 661367984 /nfs/dbraw/zinc/36/79/84/661367984.db2.gz XFRBMBHTCHNASI-MLGOLLRUSA-N 1 0 384.245 2.651 20 0 GFADRO C[C@](O)(C[NH2+][C@@H](CO)C1CCOCC1)c1ccc(Br)cc1Cl ZINC000843103184 661368079 /nfs/dbraw/zinc/36/80/79/661368079.db2.gz KCLHIFKUXVUQRS-HOTGVXAUSA-N 1 0 392.721 2.687 20 0 GFADRO C[C@](O)(C[NH2+][C@@H](CCO)C1CCOCC1)c1ccc(Br)cc1F ZINC000843108991 661368272 /nfs/dbraw/zinc/36/82/72/661368272.db2.gz QKKNOZCHQDBRSE-IRXDYDNUSA-N 1 0 390.293 2.563 20 0 GFADRO C[C@@](O)(C[NH2+]C[C@H](CO)Cc1cccnc1)c1ccc(Br)cc1F ZINC000843108591 661368343 /nfs/dbraw/zinc/36/83/43/661368343.db2.gz ADOWPOYLKXPIEX-RDTXWAMCSA-N 1 0 397.288 2.632 20 0 GFADRO OC[C@H](C[NH2+]C[C@@H](O)c1ccc(Br)cc1)Cc1ccncc1Cl ZINC000843110778 661368603 /nfs/dbraw/zinc/36/86/03/661368603.db2.gz HMZMMFVVDNVICF-YVEFUNNKSA-N 1 0 399.716 2.972 20 0 GFADRO Cc1nc2c(n1CCO)CC[C@@H]([NH2+]C[C@@H](O)c1ccc(Cl)cc1Cl)C2 ZINC000843111224 661368802 /nfs/dbraw/zinc/36/88/02/661368802.db2.gz FDBBBZGYWIJMJA-FZKQIMNGSA-N 1 0 384.307 2.671 20 0 GFADRO Cn1cc([C@@H]([NH2+]C[C@H](O)c2ccc(Br)cc2)C2(CO)CCC2)cn1 ZINC000843119536 661370161 /nfs/dbraw/zinc/37/01/61/661370161.db2.gz VQEVAGBNPABDRP-DLBZAZTESA-N 1 0 394.313 2.710 20 0 GFADRO Cc1ccc(-c2noc(-c3cn(C4CC[NH2+]CC4)nn3)n2)c(Br)c1 ZINC000843186900 661371544 /nfs/dbraw/zinc/37/15/44/661371544.db2.gz HOMUAURCNZHFBV-UHFFFAOYSA-N 1 0 389.257 2.991 20 0 GFADRO COc1ccc(Cc2noc(C[C@H]([NH3+])C3CC3)n2)c(Br)c1OC ZINC000843202994 661372245 /nfs/dbraw/zinc/37/22/45/661372245.db2.gz MZKAQDIZKHCYBF-NSHDSACASA-N 1 0 382.258 2.720 20 0 GFADRO Fc1cccc(Cc2noc(C3CC[NH2+]CC3)n2)c1I ZINC000843210583 661372799 /nfs/dbraw/zinc/37/27/99/661372799.db2.gz XSKIEVGBTIRZNB-UHFFFAOYSA-N 1 0 387.196 2.871 20 0 GFADRO CC(C)C[C@](C)(C[NH3+])NC(=O)/C=C\c1ccc(I)o1 ZINC000843346607 661378353 /nfs/dbraw/zinc/37/83/53/661378353.db2.gz MIZXCGMBNCVYAK-BRLPQQTGSA-N 1 0 376.238 2.777 20 0 GFADRO C[C@H]1C[C@H]([NH2+]Cc2ccc(S(C)(=O)=O)s2)CN(C(=O)OC(C)(C)C)C1 ZINC000843407045 661380056 /nfs/dbraw/zinc/38/00/56/661380056.db2.gz XSSSVMMRKHITKO-STQMWFEESA-N 1 0 388.555 2.887 20 0 GFADRO O=C(c1sccc1S(=O)(=O)C(F)F)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000843481961 661382917 /nfs/dbraw/zinc/38/29/17/661382917.db2.gz XSIBHKKXROGHHR-VXGBXAGGSA-N 1 0 392.493 2.596 20 0 GFADRO O=C1C=C(c2ccc(Br)cc2)CN1CN1CC[NH+](CC2CC2)CC1 ZINC000844688149 661433480 /nfs/dbraw/zinc/43/34/80/661433480.db2.gz FSNUCAMJZYZXFK-UHFFFAOYSA-N 1 0 390.325 2.660 20 0 GFADRO [NH3+][C@@H]1CCC[C@H]1Cc1nc(Cc2cc3c(cc2Br)OCO3)no1 ZINC000844916774 661449241 /nfs/dbraw/zinc/44/92/41/661449241.db2.gz XJCUKZJFCRNVSX-JOYOIKCWSA-N 1 0 380.242 2.822 20 0 GFADRO Cn1nc(C(=O)N[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)cc1Br ZINC000844965778 661451126 /nfs/dbraw/zinc/45/11/26/661451126.db2.gz UPRHFBIYLXUFOA-KRWDZBQOSA-N 1 0 377.286 2.577 20 0 GFADRO C[C@@H](CC(=O)O[C@H]1CCN(c2cccc(Br)c2)C1=O)n1ccnc1 ZINC000845286989 661464029 /nfs/dbraw/zinc/46/40/29/661464029.db2.gz YMKVIFAKDBONCP-WFASDCNBSA-N 1 0 392.253 2.945 20 0 GFADRO Ic1ccccc1C[NH+]1CCC(Cn2cnnc2)CC1 ZINC000846056233 661527569 /nfs/dbraw/zinc/52/75/69/661527569.db2.gz MWUKMXHZQVIRRC-UHFFFAOYSA-N 1 0 382.249 2.795 20 0 GFADRO Cc1cnc(Br)c(NC(=O)N2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)c1 ZINC000846311680 661544579 /nfs/dbraw/zinc/54/45/79/661544579.db2.gz OCRSPKJVUJHKPO-GUTXKFCHSA-N 1 0 397.317 2.903 20 0 GFADRO CC(C)Oc1cc(C(=O)N[C@H]2C[NH2+]CCC2(F)F)ccc1Br ZINC000846679049 661561741 /nfs/dbraw/zinc/56/17/41/661561741.db2.gz RRBNEKSRDHTRRG-ZDUSSCGKSA-N 1 0 377.229 2.963 20 0 GFADRO C[C@H](CNC(=O)c1cc(C(F)(F)F)cnc1Cl)N1C[C@@H](C)O[C@@H](C)C1 ZINC000847178024 661579378 /nfs/dbraw/zinc/57/93/78/661579378.db2.gz NBUSZZSVAWFMQG-MXWKQRLJSA-N 1 0 379.810 2.981 20 0 GFADRO C[C@@H](CNC(=O)c1cc(Cl)ncc1Br)N1C[C@@H](C)O[C@@H](C)C1 ZINC000847178618 661579547 /nfs/dbraw/zinc/57/95/47/661579547.db2.gz RASWWBISSHOXDD-GARJFASQSA-N 1 0 390.709 2.725 20 0 GFADRO C[C@H](CNC(=O)c1cccnc1SC(F)(F)F)N1C[C@@H](C)O[C@@H](C)C1 ZINC000847181760 661579808 /nfs/dbraw/zinc/57/98/08/661579808.db2.gz LDSZXQPGDNXODL-UTUOFQBUSA-N 1 0 377.432 2.921 20 0 GFADRO O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)[C@@H]1Cc2cc(Br)ccc2O1 ZINC000847257231 661584492 /nfs/dbraw/zinc/58/44/92/661584492.db2.gz VPSJCZYKNOYKFC-INMHGKMJSA-N 1 0 379.298 2.886 20 0 GFADRO CC(=O)N[C@@H](CC(=O)OCC[C@H]1CC[N@@H+](C)C1)c1ccc(Br)cc1 ZINC000847829325 661612372 /nfs/dbraw/zinc/61/23/72/661612372.db2.gz XGNFKBZZHVNSIZ-PBHICJAKSA-N 1 0 397.313 2.901 20 0 GFADRO CC[NH+](CC)CC[C@@H](CO)NC(=O)C(F)(F)c1ccccc1Br ZINC000848024700 661621321 /nfs/dbraw/zinc/62/13/21/661621321.db2.gz IXYMSJAIRKATCH-LBPRGKRZSA-N 1 0 393.272 2.750 20 0 GFADRO CC(C)(O)C[NH+]1CCN(Cn2cc(-c3ccc(Br)cc3)cn2)CC1 ZINC000848478466 661653301 /nfs/dbraw/zinc/65/33/01/661653301.db2.gz ICJGVZQRSGPETC-UHFFFAOYSA-N 1 0 393.329 2.659 20 0 GFADRO CN(C)C(=O)[C@@H]1CC[N@H+](Cn2cc(-c3ccc(Br)cc3)cn2)C1 ZINC000848489685 661655051 /nfs/dbraw/zinc/65/50/51/661655051.db2.gz YBVBDAIPVFYQHF-CQSZACIVSA-N 1 0 377.286 2.680 20 0 GFADRO CCC(C)(C)[NH+]1CCN(CN2c3cc(Br)ccc3C(=O)C2=O)CC1 ZINC000848495436 661656241 /nfs/dbraw/zinc/65/62/41/661656241.db2.gz HNTVTUHYHJIROG-UHFFFAOYSA-N 1 0 394.313 2.742 20 0 GFADRO CCC(C)(C)[NH+]1CCN(Cn2nc(Br)c(=O)c3ccccc32)CC1 ZINC000848496662 661656352 /nfs/dbraw/zinc/65/63/52/661656352.db2.gz GCIKNCDMKPCWKM-UHFFFAOYSA-N 1 0 393.329 2.923 20 0 GFADRO Cc1c(Br)cccc1CS(=O)(=O)N(C)C1CCC([NH3+])CC1 ZINC000848600241 661666965 /nfs/dbraw/zinc/66/69/65/661666965.db2.gz MGABVNNAEWZBON-UHFFFAOYSA-N 1 0 375.332 2.789 20 0 GFADRO COC(=O)Cc1ccccc1C[NH2+]C[C@@H](O)c1ccc(Br)cc1 ZINC000848679028 661672107 /nfs/dbraw/zinc/67/21/07/661672107.db2.gz QGAALLOPEGRSHJ-QGZVFWFLSA-N 1 0 378.266 2.988 20 0 GFADRO [NH2+]=C(NCc1n[nH]cc1Br)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000849102150 661691802 /nfs/dbraw/zinc/69/18/02/661691802.db2.gz BHUGDSWXBXIHCW-UHFFFAOYSA-N 1 0 397.708 2.672 20 0 GFADRO O=C1N[C@H](c2ccccc2Br)C(=O)N1[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000849351522 661708142 /nfs/dbraw/zinc/70/81/42/661708142.db2.gz HTXGIZVVTPECEV-SOUVJXGZSA-N 1 0 378.270 2.669 20 0 GFADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)Nc2ccc(Br)cc2F)cn1 ZINC000849480479 661733355 /nfs/dbraw/zinc/73/33/55/661733355.db2.gz DNLLEDBZQZBHRG-KBPBESRZSA-N 1 0 395.276 2.996 20 0 GFADRO Cn1cc([C@H]2C[N@H+](C)CC[C@H]2C(=O)Oc2cccc(Br)c2)cn1 ZINC000849486000 661733423 /nfs/dbraw/zinc/73/34/23/661733423.db2.gz DJQILMKAYGEBKS-HZPDHXFCSA-N 1 0 378.270 2.824 20 0 GFADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)Nc2cc(Cl)c(N)c(Cl)c2)cn1 ZINC000849486427 661733473 /nfs/dbraw/zinc/73/34/73/661733473.db2.gz KNHSWDFDACFXEK-STQMWFEESA-N 1 0 382.295 2.983 20 0 GFADRO Cn1cc([C@H]2C[N@H+](C)CC[C@H]2C(=O)NCc2ccccc2Br)cn1 ZINC000849496593 661733764 /nfs/dbraw/zinc/73/37/64/661733764.db2.gz KIZBTDIQPJYMOF-HZPDHXFCSA-N 1 0 391.313 2.534 20 0 GFADRO CC(C)[N@@H+]1CC[C@H](C(=O)NCCSC(F)(F)F)[C@H](c2cnn(C)c2)C1 ZINC000849500658 661733798 /nfs/dbraw/zinc/73/37/98/661733798.db2.gz IJEHZADREOMUJA-KBPBESRZSA-N 1 0 378.464 2.603 20 0 GFADRO Cc1c(Br)cncc1C[NH2+]CC(C)(C)[C@@H]1COCC12OCCO2 ZINC000850325026 661770355 /nfs/dbraw/zinc/77/03/55/661770355.db2.gz QRUOQZGEUKAQRU-HNNXBMFYSA-N 1 0 385.302 2.658 20 0 GFADRO O=C(c1ccccc1Cl)N1CCC([NH2+]CC[S@@](=O)CC(F)(F)F)CC1 ZINC000850349575 661771025 /nfs/dbraw/zinc/77/10/25/661771025.db2.gz IFCHILPAFKLPJT-RUZDIDTESA-N 1 0 396.862 2.845 20 0 GFADRO O=[S@](CC[NH2+]Cc1cc2c(cc1Br)OCO2)CC(F)(F)F ZINC000850349690 661771089 /nfs/dbraw/zinc/77/10/89/661771089.db2.gz JJEAYASWNHYYHA-OAQYLSRUSA-N 1 0 388.205 2.578 20 0 GFADRO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]CC[C@]1(C)CC1(F)F ZINC000850380513 661773691 /nfs/dbraw/zinc/77/36/91/661773691.db2.gz HPZVXEPQLRPREE-SMDDNHRTSA-N 1 0 381.876 2.730 20 0 GFADRO C[C@H](CC[S@@](C)=O)[NH2+][C@@H]1CCN(C(=O)C(F)(F)F)Cc2ccccc21 ZINC000850445240 661776395 /nfs/dbraw/zinc/77/63/95/661776395.db2.gz QNQTZVHHHWPJKB-GDDWWATRSA-N 1 0 376.444 2.769 20 0 GFADRO CCOC(=O)C(F)(F)[C@@H]1CCC[C@H]([NH2+]CCC2(CS(C)(=O)=O)CC2)C1 ZINC000850486022 661778243 /nfs/dbraw/zinc/77/82/43/661778243.db2.gz QKWPDXQINDMHCM-KGLIPLIRSA-N 1 0 381.485 2.548 20 0 GFADRO C[C@@H]([NH2+]CCS(=O)(=O)CC(F)(F)F)c1cc(-c2ccccc2)nn1C ZINC000850517812 661779950 /nfs/dbraw/zinc/77/99/50/661779950.db2.gz CTIRYGUULQPBES-GFCCVEGCSA-N 1 0 375.416 2.715 20 0 GFADRO Cc1cccc(NC(=O)C[C@@H](C)[NH2+]CCS(=O)(=O)CC(F)(F)F)c1C ZINC000850518560 661780599 /nfs/dbraw/zinc/78/05/99/661780599.db2.gz BHBHXOYGGMXANI-GFCCVEGCSA-N 1 0 380.432 2.587 20 0 GFADRO COC(=O)N(C)CC[NH2+][C@H](C)c1ccc(F)c(I)c1 ZINC000850547605 661781341 /nfs/dbraw/zinc/78/13/41/661781341.db2.gz VGWKNDFIXBPZPJ-SECBINFHSA-N 1 0 380.201 2.779 20 0 GFADRO CCN(C(=O)C(=O)Nc1cccc(C2SCCS2)c1)[C@H]1CC[N@H+](C)C1 ZINC000850582935 661782180 /nfs/dbraw/zinc/78/21/80/661782180.db2.gz IBGKQFFWEXFQRP-HNNXBMFYSA-N 1 0 379.551 2.656 20 0 GFADRO O=S(=O)(c1cc(Cl)cc(Br)c1)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000850588737 661782407 /nfs/dbraw/zinc/78/24/07/661782407.db2.gz NMFVCVGWHAWKSX-CYBMUJFWSA-N 1 0 379.707 2.619 20 0 GFADRO [NH3+]CCn1cc(C(=O)Nc2ccccc2SC[C@@H]2CC2(Cl)Cl)nn1 ZINC000851628303 661826774 /nfs/dbraw/zinc/82/67/74/661826774.db2.gz BMURHAXORXRROX-JTQLQIEISA-N 1 0 386.308 2.775 20 0 GFADRO CC(C)(C)n1ncc(C(=O)Nc2cnc3c(c2)C[C@H]([NH3+])CC3)c1Br ZINC000851636455 661827308 /nfs/dbraw/zinc/82/73/08/661827308.db2.gz WRUDGYRMGWGRSW-LLVKDONJSA-N 1 0 392.301 2.864 20 0 GFADRO CN(Cc1ncc(Cl)n1C)C(=O)c1sc2c(c1Br)CNC2 ZINC000851638109 661827312 /nfs/dbraw/zinc/82/73/12/661827312.db2.gz YIMVUMPDRJXZPQ-UHFFFAOYSA-N 1 0 389.706 2.773 20 0 GFADRO O=C(N[C@@H]1C[NH2+]CCC1(F)F)N1CCc2sc(Br)cc2C1 ZINC000851666131 661827977 /nfs/dbraw/zinc/82/79/77/661827977.db2.gz FEDYEDIYKMCFSV-SNVBAGLBSA-N 1 0 380.258 2.576 20 0 GFADRO CC1(C)OC[C@H](C[N@@H+]2CCC[C@@H](C(=O)Nc3ccc(Br)cn3)C2)O1 ZINC000851825731 661835470 /nfs/dbraw/zinc/83/54/70/661835470.db2.gz QCKHGDDRNHZTJK-OCCSQVGLSA-N 1 0 398.301 2.646 20 0 GFADRO CCOP(=O)(OCC)[C@@H](O)C[N@@H+]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000851848042 661838606 /nfs/dbraw/zinc/83/86/06/661838606.db2.gz ITYGXYNGEOKXLY-ZIAGYGMSSA-N 1 0 380.422 2.512 20 0 GFADRO CC(C)(C)[N@H+](CCn1cnc(Br)n1)CC(=O)Nc1ccc(F)cc1 ZINC000851855162 661839258 /nfs/dbraw/zinc/83/92/58/661839258.db2.gz BZIUPDYQXZYCFZ-UHFFFAOYSA-N 1 0 398.280 2.919 20 0 GFADRO C[N@@H+](Cc1cccc(Br)c1OCC(C)(C)O)C[C@H]1CCC(=O)O1 ZINC000851973441 661847587 /nfs/dbraw/zinc/84/75/87/661847587.db2.gz BSESLHSGWFJJHM-CYBMUJFWSA-N 1 0 386.286 2.736 20 0 GFADRO OC[C@H]1C=C[C@@H]([N@H+](CCn2cnc(Br)n2)Cc2cccs2)C1 ZINC000852048323 661850865 /nfs/dbraw/zinc/85/08/65/661850865.db2.gz WLJYGHDTCGZQBF-QWHCGFSZSA-N 1 0 383.315 2.541 20 0 GFADRO NC(=O)[C@](O)(C[N@@H+]1CC[C@H](Sc2cccc(Cl)c2)C1)c1ccccc1 ZINC000852078513 661851774 /nfs/dbraw/zinc/85/17/74/661851774.db2.gz CXNIRLPVNSNACF-HKUYNNGSSA-N 1 0 376.909 2.880 20 0 GFADRO NC(=O)[C@](O)(C[NH2+]C1(c2ccccc2Br)CCC1)c1ccccc1 ZINC000852210055 661856650 /nfs/dbraw/zinc/85/66/50/661856650.db2.gz XDIXHOSTVWPPFA-IBGZPJMESA-N 1 0 389.293 2.791 20 0 GFADRO CO[C@]1(CO)CCC[N@H+](C[C@](C)(O)c2ccc(Br)cc2Cl)C1 ZINC000852409375 661863464 /nfs/dbraw/zinc/86/34/64/661863464.db2.gz ORZNTARLBNJHNU-JKSUJKDBSA-N 1 0 392.721 2.783 20 0 GFADRO COC(=O)N(C)CCN(C)CC(=O)Nc1ccc(Br)cc1Cl ZINC000852570534 661867100 /nfs/dbraw/zinc/86/71/00/661867100.db2.gz SNXPQFBWQOIPPJ-UHFFFAOYSA-N 1 0 392.681 2.671 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+](C2CCCCC2)C1)N1CCn2ncc(Br)c2C1 ZINC000852586253 661867530 /nfs/dbraw/zinc/86/75/30/661867530.db2.gz FLVHQUBPFIPCGI-CYBMUJFWSA-N 1 0 396.333 2.578 20 0 GFADRO O=C1CCCN1C[C@@H]1CC[N@@H+](C[C@@H](O)c2ccc(F)c(Br)c2)C1 ZINC000852679793 661871258 /nfs/dbraw/zinc/87/12/58/661871258.db2.gz BTBGWGXNGHHJRW-MLGOLLRUSA-N 1 0 385.277 2.566 20 0 GFADRO CCOc1c(Br)cc(Cl)cc1NC(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852806970 661874905 /nfs/dbraw/zinc/87/49/05/661874905.db2.gz NGXBVJNZSKFWGJ-MRVPVSSYSA-N 1 0 376.638 2.543 20 0 GFADRO O=C(c1cccnc1I)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000852838963 661875559 /nfs/dbraw/zinc/87/55/59/661875559.db2.gz SXGQXFFDORFISN-CYBMUJFWSA-N 1 0 399.276 2.538 20 0 GFADRO CCO[C@H]1C[C@]([NH3+])(C(=O)Nc2nc(-c3ncc(Cl)n3C)cs2)C1(C)C ZINC000852844939 661875745 /nfs/dbraw/zinc/87/57/45/661875745.db2.gz OMXDGDSHXAPLQA-QFYYESIMSA-N 1 0 383.905 2.668 20 0 GFADRO COc1cc(NC(=O)CO[C@@H]2CCC[NH2+]C2)c(Cl)cc1Br ZINC000852915229 661877199 /nfs/dbraw/zinc/87/71/99/661877199.db2.gz BQMYJTVZHXTQKP-SECBINFHSA-N 1 0 377.666 2.818 20 0 GFADRO O[C@@H]1CC[N@@H+](C2CCN(C(=S)Nc3cccc(Br)c3)CC2)C1 ZINC000853042888 661879528 /nfs/dbraw/zinc/87/95/28/661879528.db2.gz KJKQUOSJPCWHRM-OAHLLOKOSA-N 1 0 384.343 2.677 20 0 GFADRO CN([C@H](C[NH3+])C(F)(F)F)S(=O)(=O)/C=C\c1ccc(Br)cc1 ZINC000853081977 661881637 /nfs/dbraw/zinc/88/16/37/661881637.db2.gz ZAABQJJGPMKFLB-JMEBYUIHSA-N 1 0 387.221 2.571 20 0 GFADRO CC(C)(C)OC(=O)N1CCC([C@H](O)C[NH2+]CCC2SCCS2)CC1 ZINC000853122285 661882978 /nfs/dbraw/zinc/88/29/78/661882978.db2.gz MMSOKDSBUXIZSQ-CQSZACIVSA-N 1 0 376.588 2.780 20 0 GFADRO C[NH+]1CCN(Cc2ccc(CNc3ncnc(F)c3Br)cc2)CC1 ZINC000853162026 661884245 /nfs/dbraw/zinc/88/42/45/661884245.db2.gz KUGHFGDKSGVPFX-UHFFFAOYSA-N 1 0 394.292 2.738 20 0 GFADRO Clc1nc2c(Br)c[nH]c2c(NCCCC[NH+]2CCOCC2)n1 ZINC000853166641 661884354 /nfs/dbraw/zinc/88/43/54/661884354.db2.gz JTUNJNDSBTURTP-UHFFFAOYSA-N 1 0 388.697 2.898 20 0 GFADRO COc1ccccc1[C@@H](CNC(=O)NCC1SCCS1)[NH+]1CCCC1 ZINC000853235548 661885844 /nfs/dbraw/zinc/88/58/44/661885844.db2.gz JMNPINDLPOFQJX-OAHLLOKOSA-N 1 0 381.567 2.937 20 0 GFADRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)N2CC(O)(c3ccc(Br)cc3)C2)C1 ZINC000853822723 661902939 /nfs/dbraw/zinc/90/29/39/661902939.db2.gz KQRHWGXYKUTSQU-HOTGVXAUSA-N 1 0 396.329 2.535 20 0 GFADRO CC(=O)N1CCC[C@H](c2noc(-c3sc4c(c3Br)C[NH2+]C4)n2)C1 ZINC000854140196 661916255 /nfs/dbraw/zinc/91/62/55/661916255.db2.gz CTIKAUNPWNRYGU-VIFPVBQESA-N 1 0 397.298 2.890 20 0 GFADRO Brc1c2c(sc1-c1nc(-c3n[nH]c(C4CC4)n3)no1)C[NH2+]C2 ZINC000854160416 661917113 /nfs/dbraw/zinc/91/71/13/661917113.db2.gz IZIHPEPSRJUDBW-UHFFFAOYSA-N 1 0 379.243 2.826 20 0 GFADRO C[N@@H+]1CCC[C@@H]1[C@H]1COCCN1C(=O)c1cc(Cl)nc(C(F)(F)F)c1 ZINC000854642872 661944924 /nfs/dbraw/zinc/94/49/24/661944924.db2.gz RWUUQBSTIAAIFW-VXGBXAGGSA-N 1 0 377.794 2.689 20 0 GFADRO Cn1nc(Br)cc1C(=O)N1CCC2(CCC([NH+](C)C)CC2)CC1 ZINC000854676770 661947339 /nfs/dbraw/zinc/94/73/39/661947339.db2.gz BJNBUOIONGWNMW-UHFFFAOYSA-N 1 0 383.334 2.909 20 0 GFADRO CCS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC[C@@]3(CC[N@H+](C)C3)C2)c1 ZINC000854738354 661952480 /nfs/dbraw/zinc/95/24/80/661952480.db2.gz KLAJJXJLPSJPQE-SFHVURJKSA-N 1 0 384.929 2.692 20 0 GFADRO CCS(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@H]2CC[N@@H+](C(C)(C)C)C2)c1 ZINC000855159826 661973424 /nfs/dbraw/zinc/97/34/24/661973424.db2.gz ICTPUOZTAPOPJT-CYBMUJFWSA-N 1 0 386.945 2.984 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)COc2ccc(C=O)cc2Br)C1 ZINC000855161777 661973905 /nfs/dbraw/zinc/97/39/05/661973905.db2.gz RJOGFZRGZTUTQI-AWEZNQCLSA-N 1 0 397.313 2.877 20 0 GFADRO Cn1nc(Br)cc1C(=O)N1CC[C@H]([N@H+](C)CCc2ccccc2)C1 ZINC000855734215 662005720 /nfs/dbraw/zinc/00/57/20/662005720.db2.gz XRADGDWVKONIOB-HNNXBMFYSA-N 1 0 391.313 2.572 20 0 GFADRO Cn1cc(C[NH2+]C[C@@H](CO)Cc2cc(Br)ccc2F)c(Cl)n1 ZINC000856789608 662044188 /nfs/dbraw/zinc/04/41/88/662044188.db2.gz IUOZPRGKLBQYQI-JTQLQIEISA-N 1 0 390.684 2.916 20 0 GFADRO Cn1nccc1[C@H](O)C1CC[NH+](C[C@@H](O)c2ccccc2Br)CC1 ZINC000856799302 662044666 /nfs/dbraw/zinc/04/46/66/662044666.db2.gz PODQFMTYLGCRKH-QZTJIDSGSA-N 1 0 394.313 2.662 20 0 GFADRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)NCC[C@H]2CC2(Cl)Cl)CC1 ZINC000856947994 662053936 /nfs/dbraw/zinc/05/39/36/662053936.db2.gz FDNALPPBBFDORM-XHSDSOJGSA-N 1 0 391.387 2.770 20 0 GFADRO CCN(CC)CCN(C(=O)C[C@@H]1C=CS(=O)(=O)C1)c1ccc(Cl)cc1 ZINC000857649621 662085162 /nfs/dbraw/zinc/08/51/62/662085162.db2.gz YYHYYUOPDZSLKO-HNNXBMFYSA-N 1 0 384.929 2.963 20 0 GFADRO C[NH+](C)[C@H]1CCc2ccccc2N(C(=O)Cn2cc(Br)cn2)C1 ZINC000857931488 662094811 /nfs/dbraw/zinc/09/48/11/662094811.db2.gz XCGCZJFQOQAOAZ-HNNXBMFYSA-N 1 0 377.286 2.555 20 0 GFADRO C[C@@H]([NH2+]Cc1cn(C)nc1Br)[C@H](c1ccccc1)N1CCOCC1 ZINC000858086153 662098102 /nfs/dbraw/zinc/09/81/02/662098102.db2.gz CDARVSUMFUDIHG-RHSMWYFYSA-N 1 0 393.329 2.734 20 0 GFADRO Cn1cc(CNC2CC[NH+](CCc3ccccc3)CC2)c(Br)n1 ZINC000858093672 662098330 /nfs/dbraw/zinc/09/83/30/662098330.db2.gz CJTKQFMLGKJLFP-UHFFFAOYSA-N 1 0 377.330 2.979 20 0 GFADRO Cc1ccc([C@H](C[NH2+]Cc2cn(C)nc2Br)N2CCOCC2)cc1 ZINC000858100954 662098908 /nfs/dbraw/zinc/09/89/08/662098908.db2.gz UJOYAKVKBLCGHS-KRWDZBQOSA-N 1 0 393.329 2.654 20 0 GFADRO CCOc1ccc(S(=O)(=O)N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)c(C)c1 ZINC000858623695 662117053 /nfs/dbraw/zinc/11/70/53/662117053.db2.gz NIIQMTYBDDELNG-OCCSQVGLSA-N 1 0 380.432 2.542 20 0 GFADRO COc1cccc(C[NH+]2CCC(NC(=O)[C@H]3C[C@]3(C)Br)CC2)c1 ZINC000858653138 662118010 /nfs/dbraw/zinc/11/80/10/662118010.db2.gz NRCRTXGNNYKJSJ-AEFFLSMTSA-N 1 0 381.314 2.949 20 0 GFADRO O=C(COc1ccc(I)cc1)OCC[NH+]1CCCCC1 ZINC000858972041 662129901 /nfs/dbraw/zinc/12/99/01/662129901.db2.gz CMUAHXQMUVQBHD-UHFFFAOYSA-N 1 0 389.233 2.699 20 0 GFADRO CCC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1ccc(NC(=O)OC)c(Cl)c1 ZINC000859158025 662141277 /nfs/dbraw/zinc/14/12/77/662141277.db2.gz XSKDHRNDZPQVAY-LBPRGKRZSA-N 1 0 389.905 2.671 20 0 GFADRO COC(=O)Nc1ccc(S(=O)(=O)NCC[C@@H]2CCC[N@H+](C)C2)cc1Cl ZINC000859187649 662143619 /nfs/dbraw/zinc/14/36/19/662143619.db2.gz QFNJEBKIKKBNCY-LBPRGKRZSA-N 1 0 389.905 2.529 20 0 GFADRO Cn1cc(CC[NH2+]C2(Cc3ccc(F)cc3Br)CCOCC2)nn1 ZINC000859316144 662152739 /nfs/dbraw/zinc/15/27/39/662152739.db2.gz WXDLQTMNMCOAGY-UHFFFAOYSA-N 1 0 397.292 2.641 20 0 GFADRO COc1cc(C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)ccc1Br ZINC000859356310 662156010 /nfs/dbraw/zinc/15/60/10/662156010.db2.gz NXDGLGVIJWDOQJ-OAHLLOKOSA-N 1 0 397.313 2.831 20 0 GFADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)[C@@H]1C[C@@]1(C)Br ZINC000859750290 662174378 /nfs/dbraw/zinc/17/43/78/662174378.db2.gz TXBYNNRRIABBHE-KBXCAEBGSA-N 1 0 396.329 2.949 20 0 GFADRO CS[C@@H]1CN(C(=O)c2cccc(N=S(C)(C)=O)c2)C[C@H]1[NH+]1CCCC1 ZINC000860787860 662215698 /nfs/dbraw/zinc/21/56/98/662215698.db2.gz OAIXGCZQLJZZAY-IAGOWNOFSA-N 1 0 381.567 2.698 20 0 GFADRO CO[C@@H]1C[N@H+](C)[C@](C)(COC(=O)Cn2nc(C(F)(F)F)c(Cl)c2C)C1 ZINC000861351695 662241662 /nfs/dbraw/zinc/24/16/62/662241662.db2.gz DXZCTDYXCXTVSA-HZMBPMFUSA-N 1 0 383.798 2.516 20 0 GFADRO CO[C@@H]1C[N@H+](C)[C@@](C)(COC(=O)Cn2nc(C(F)(F)F)c(Cl)c2C)C1 ZINC000861351698 662241733 /nfs/dbraw/zinc/24/17/33/662241733.db2.gz DXZCTDYXCXTVSA-IINYFYTJSA-N 1 0 383.798 2.516 20 0 GFADRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)Nc1cccc(SC(F)(F)F)c1 ZINC000861891832 662262605 /nfs/dbraw/zinc/26/26/05/662262605.db2.gz LSJAAWUEKPFJGX-GFCCVEGCSA-N 1 0 375.416 2.790 20 0 GFADRO CC[C@H](C(=O)N1CC[N@H+](C)C[C@@H](C(=O)OC)C1)c1ccc(Br)cc1 ZINC000861988439 662265702 /nfs/dbraw/zinc/26/57/02/662265702.db2.gz IUMDEOIDPSJMHB-ZBFHGGJFSA-N 1 0 397.313 2.506 20 0 GFADRO CN(C)[C@]1(C[NH2+]C[C@@H]2CC(F)(F)CN2C(=O)OC(C)(C)C)CCSC1 ZINC000862283199 662279169 /nfs/dbraw/zinc/27/91/69/662279169.db2.gz CHJSMLQDAOHGML-BBRMVZONSA-N 1 0 379.517 2.658 20 0 GFADRO COc1ncc(Br)cc1CNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC000862825415 662302280 /nfs/dbraw/zinc/30/22/80/662302280.db2.gz DSEQLJOYFGMDKA-UHFFFAOYSA-N 1 0 392.297 2.887 20 0 GFADRO COC(=O)c1cn(C[N@@H+]2C[C@@H](c3ccc(Br)cc3)C[C@@H]2C)nn1 ZINC000863323302 662320659 /nfs/dbraw/zinc/32/06/59/662320659.db2.gz KBAWMVKWFADOKG-AAEUAGOBSA-N 1 0 379.258 2.663 20 0 GFADRO Cn1nc(C(F)(F)F)c(CN2CCC(CO[C@@H]3CC[NH2+]C3)CC2)c1Cl ZINC000863575710 662336875 /nfs/dbraw/zinc/33/68/75/662336875.db2.gz RJESKJOCLUXSLV-GFCCVEGCSA-N 1 0 380.842 2.683 20 0 GFADRO CS(=O)(=O)c1ccc([C@H](O)C[NH2+]Cc2csc(C(F)(F)F)c2)cc1 ZINC000863585434 662339540 /nfs/dbraw/zinc/33/95/40/662339540.db2.gz YLKOHECOTXCMHW-CYBMUJFWSA-N 1 0 379.425 2.994 20 0 GFADRO O=C(Cc1noc([C@@H](F)[C@@H]2CC[NH2+]C2)n1)Nc1ccccc1Br ZINC000863670249 662343194 /nfs/dbraw/zinc/34/31/94/662343194.db2.gz KMGLGEMHVSSCIG-OTYXRUKQSA-N 1 0 383.221 2.633 20 0 GFADRO CCSc1ccc(Cc2nc(N3CC[NH2+]CC3)no2)c(Br)c1 ZINC000863677333 662343885 /nfs/dbraw/zinc/34/38/85/662343885.db2.gz REEZKGQHUPMNOQ-UHFFFAOYSA-N 1 0 383.315 2.945 20 0 GFADRO COc1nsc(C[NH2+]C[C@@H]2CC3(CO2)CCOCC3)c1Br ZINC000864053680 662352838 /nfs/dbraw/zinc/35/28/38/662352838.db2.gz MLBOFSUTJABESI-JTQLQIEISA-N 1 0 377.304 2.590 20 0 GFADRO C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@H](O)c1cnc[nH]1 ZINC000865003281 662394470 /nfs/dbraw/zinc/39/44/70/662394470.db2.gz NUHBCMRSZQSYOQ-MRXNPFEDSA-N 1 0 385.295 2.730 20 0 GFADRO COCC[N@@H+]1CCCN(C(=O)c2ccc(Br)c(SC)c2)CC1 ZINC000865010889 662394861 /nfs/dbraw/zinc/39/48/61/662394861.db2.gz XEYHBGSZBGZUNE-UHFFFAOYSA-N 1 0 387.343 2.965 20 0 GFADRO CSCC[C@@H]1NC(=S)N(C[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)C1=O ZINC000865212030 662404403 /nfs/dbraw/zinc/40/44/03/662404403.db2.gz FJAJCZZEWJBNRI-UAGQMJEPSA-N 1 0 377.579 2.593 20 0 GFADRO CC(C)(O)C[N@@H+]1CC[C@H](NC(=S)NCc2cccc(C(F)(F)F)c2)C1 ZINC000865243877 662407537 /nfs/dbraw/zinc/40/75/37/662407537.db2.gz UZRLDXSAHHVCAR-AWEZNQCLSA-N 1 0 375.460 2.515 20 0 GFADRO C[C@@H](Cc1ccc(Br)cc1)[NH2+]Cc1cn(C[C@H]2CCCO2)nn1 ZINC000865414527 662419883 /nfs/dbraw/zinc/41/98/83/662419883.db2.gz ABXPBUDRCJDQAX-SUMWQHHRSA-N 1 0 379.302 2.940 20 0 GFADRO CCN(CC)S(=O)(=O)c1ccc(CC[NH2+]Cc2cn(C3CC3)cn2)s1 ZINC000865448850 662421974 /nfs/dbraw/zinc/42/19/74/662421974.db2.gz OIDVEFQIUASEFK-UHFFFAOYSA-N 1 0 382.555 2.642 20 0 GFADRO CCOc1cc(F)cc(C[NH2+]CC2CCN(S(=O)(=O)C(F)F)CC2)c1 ZINC000865460489 662422986 /nfs/dbraw/zinc/42/29/86/662422986.db2.gz RAVPZPBNFSITJB-UHFFFAOYSA-N 1 0 380.432 2.578 20 0 GFADRO CC(C)(C)c1csc(C[NH2+]C2CCN(S(=O)(=O)C(F)(F)F)CC2)n1 ZINC000865489619 662424775 /nfs/dbraw/zinc/42/47/75/662424775.db2.gz RDIUZADXHCNQPB-UHFFFAOYSA-N 1 0 385.477 2.844 20 0 GFADRO COc1ncc(Br)cc1C[NH2+][C@H]1CCN(C(=O)C2CCCC2)C1 ZINC000865493522 662424950 /nfs/dbraw/zinc/42/49/50/662424950.db2.gz LEWAFGQNBHKRQX-HNNXBMFYSA-N 1 0 382.302 2.733 20 0 GFADRO COc1ccccc1N1CCC([NH2+]CCn2cc(Br)cn2)CC1 ZINC000865566158 662429928 /nfs/dbraw/zinc/42/99/28/662429928.db2.gz GNBSTJDWCNSOPB-UHFFFAOYSA-N 1 0 379.302 2.913 20 0 GFADRO CC(C)(C)n1cc(C[NH2+][C@](C)(CO)Cc2ccc(Br)cc2)nn1 ZINC000865714962 662438260 /nfs/dbraw/zinc/43/82/60/662438260.db2.gz GXDUGKUKZLPEMB-KRWDZBQOSA-N 1 0 381.318 2.879 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]CCC(C)(C)OC ZINC000865754825 662441624 /nfs/dbraw/zinc/44/16/24/662441624.db2.gz MDOONDNVMOCSMG-LBPRGKRZSA-N 1 0 387.318 2.867 20 0 GFADRO CC(C)(C[NH2+]Cc1ccc(-c2nc3ccccc3s2)o1)CS(N)(=O)=O ZINC000865814730 662445153 /nfs/dbraw/zinc/44/51/53/662445153.db2.gz IQXIOEIMNXPECH-UHFFFAOYSA-N 1 0 379.507 2.961 20 0 GFADRO CS(=O)(=O)c1ccc(C[NH2+][C@H]2COc3cccc(Br)c3C2)cc1 ZINC000865820635 662445588 /nfs/dbraw/zinc/44/55/88/662445588.db2.gz VNFQRNHFBAQJDM-CYBMUJFWSA-N 1 0 396.306 2.946 20 0 GFADRO CC(=O)N[C@@H](C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)c1cccc(Br)c1 ZINC000866058854 662459022 /nfs/dbraw/zinc/45/90/22/662459022.db2.gz GZBRZRSEGMXKBA-BLLLJJGKSA-N 1 0 398.345 2.719 20 0 GFADRO O=C(Cn1ccc(Br)cc1=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000866412190 662471297 /nfs/dbraw/zinc/47/12/97/662471297.db2.gz BEGPTRXHXNEGBY-UHFFFAOYSA-N 1 0 396.329 2.524 20 0 GFADRO CS(=O)(=O)c1ccc(-c2nc(CN3CCC[C@H]4[NH2+]CC[C@@H]43)cs2)cc1 ZINC000866725884 662492180 /nfs/dbraw/zinc/49/21/80/662492180.db2.gz QZHNVNWEDSBVHP-SJORKVTESA-N 1 0 377.535 2.540 20 0 GFADRO CC[C@@H]1CN(S(=O)(=O)Cc2cc(C)ccc2Br)CC[C@H]1[NH3+] ZINC000866758666 662495264 /nfs/dbraw/zinc/49/52/64/662495264.db2.gz WQRSUKHVAGGFCZ-IUODEOHRSA-N 1 0 375.332 2.647 20 0 GFADRO O=S(=O)(c1ccc2ccnc(Cl)c2c1)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000866770149 662496283 /nfs/dbraw/zinc/49/62/83/662496283.db2.gz UZYMDJRZVZUOKX-LSDHHAIUSA-N 1 0 379.913 2.898 20 0 GFADRO [NH3+][C@H]1C[C@H](CNS(=O)(=O)c2csnc2-c2cccc(C(F)(F)F)c2)C1 ZINC000866807415 662500265 /nfs/dbraw/zinc/50/02/65/662500265.db2.gz UDHSQDRXCFBXGM-OTCDBFHCSA-N 1 0 391.440 2.845 20 0 GFADRO O=S(=O)(c1cc(Cl)ccc1Br)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000866826049 662502340 /nfs/dbraw/zinc/50/23/40/662502340.db2.gz VAFVVHVDGOIHII-VXGBXAGGSA-N 1 0 379.707 2.618 20 0 GFADRO Cc1ccc(Br)c(CS(=O)(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000866866733 662504801 /nfs/dbraw/zinc/50/48/01/662504801.db2.gz VJJIDLNHPRJDCA-XJKSGUPXSA-N 1 0 389.359 2.859 20 0 GFADRO C[NH+]1CCC([C@H]2CCN(S(=O)(=O)c3ccc4onc(Cl)c4c3)C2)CC1 ZINC000867013510 662516633 /nfs/dbraw/zinc/51/66/33/662516633.db2.gz WLVYNDCDZOXGNV-ZDUSSCGKSA-N 1 0 383.901 2.834 20 0 GFADRO C[NH+]1CCC([C@@H]2CCN(S(=O)(=O)c3cc(Cl)cnc3Cl)C2)CC1 ZINC000867013446 662516639 /nfs/dbraw/zinc/51/66/39/662516639.db2.gz VRBVXKQBMFKYGL-GFCCVEGCSA-N 1 0 378.325 2.741 20 0 GFADRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1S(=O)(=O)c1cc2nc(Cl)ncc2s1 ZINC000867268110 662537476 /nfs/dbraw/zinc/53/74/76/662537476.db2.gz LTGUGOLEHWUNEN-JQWIXIFHSA-N 1 0 386.930 2.592 20 0 GFADRO CC[N@@H+]1CCCN(S(=O)(=O)c2ccc(NC(=O)OC)c(Cl)c2)[C@@H](C)C1 ZINC000867395625 662547239 /nfs/dbraw/zinc/54/72/39/662547239.db2.gz OFZIWJLUFQRAAC-LBPRGKRZSA-N 1 0 389.905 2.623 20 0 GFADRO C[NH+](C)C1(CNC(=O)c2cc(Br)ncc2Br)CCC1 ZINC000867658985 662566062 /nfs/dbraw/zinc/56/60/62/662566062.db2.gz SIJZDTGVOMXLAG-UHFFFAOYSA-N 1 0 391.107 2.821 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(S(=O)(=O)c3ccc(Cl)cc3Br)CC[C@@H]21 ZINC000867806946 662577993 /nfs/dbraw/zinc/57/79/93/662577993.db2.gz IEBSZHSZCVHYEW-MFKMUULPSA-N 1 0 393.734 2.817 20 0 GFADRO C[NH+](C)CCn1cc(C(=O)NCC[C@H](O)c2ccc(Cl)c(Cl)c2)cn1 ZINC000867812201 662579254 /nfs/dbraw/zinc/57/92/54/662579254.db2.gz VWNAVKIPYGIFKB-INIZCTEOSA-N 1 0 385.295 2.605 20 0 GFADRO COCCOc1cccc(CNC(=O)[C@H]([NH3+])c2cccc(Br)c2)c1 ZINC000867951009 662588899 /nfs/dbraw/zinc/58/88/99/662588899.db2.gz JVAZAXRAQASLJK-QGZVFWFLSA-N 1 0 393.281 2.791 20 0 GFADRO CC[C@@H]1C[N@H+](C)CCCN1C(=O)[C@H](NC(C)=O)c1cccc(Br)c1 ZINC000867962651 662589597 /nfs/dbraw/zinc/58/95/97/662589597.db2.gz RNHLVUPRLLSFAB-IAGOWNOFSA-N 1 0 396.329 2.569 20 0 GFADRO CC(=O)N[C@@H](C(=O)N(C)CCC[NH+]1CCCC1)c1cccc(Br)c1 ZINC000868017461 662591503 /nfs/dbraw/zinc/59/15/03/662591503.db2.gz WGCVIPWFPOIHBC-QGZVFWFLSA-N 1 0 396.329 2.571 20 0 GFADRO [NH3+]C[C@@H]1Cc2ccccc2N(C(=O)c2sccc2S(=O)(=O)C(F)F)C1 ZINC000868049271 662592628 /nfs/dbraw/zinc/59/26/28/662592628.db2.gz KZIKJEKDEAYCGH-JTQLQIEISA-N 1 0 386.445 2.522 20 0 GFADRO COCCC1(NC(=O)Nc2cc(OC)ccc2Br)CC[NH2+]CC1 ZINC000868117800 662595131 /nfs/dbraw/zinc/59/51/31/662595131.db2.gz ZLWQTHCLPAYEEL-UHFFFAOYSA-N 1 0 386.290 2.738 20 0 GFADRO CCOCCOc1ccc(Br)cc1NC(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000868145098 662596234 /nfs/dbraw/zinc/59/62/34/662596234.db2.gz JQUKSZIWNQXDNN-AULYBMBSSA-N 1 0 386.290 2.723 20 0 GFADRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1cc(Br)cn2ccnc12 ZINC000868280955 662600411 /nfs/dbraw/zinc/60/04/11/662600411.db2.gz FUCCSTOBMUKZKG-OCCSQVGLSA-N 1 0 377.286 2.796 20 0 GFADRO [NH3+][C@H]1C[C@H](CNC(=O)C(=O)Nc2cc(Cl)ccc2SCC(F)(F)F)C1 ZINC000868304699 662601367 /nfs/dbraw/zinc/60/13/67/662601367.db2.gz STTCJUKKGMRDMH-CZMCAQCFSA-N 1 0 395.834 2.786 20 0 GFADRO C[NH+](C)C[C@H](NC(=O)/C=C\CN1CCOCC1)c1ccc(Cl)c(Cl)c1 ZINC000869447297 662647151 /nfs/dbraw/zinc/64/71/51/662647151.db2.gz MVEDIKRVGGSPNN-LIMHQNJXSA-N 1 0 386.323 2.601 20 0 GFADRO O=C(NCCN1CC[C@@H](O)C1)c1cnc(-c2c(Cl)cccc2Cl)s1 ZINC000869462021 662647790 /nfs/dbraw/zinc/64/77/90/662647790.db2.gz NBQCGDMIBLNAOC-SNVBAGLBSA-N 1 0 386.304 2.913 20 0 GFADRO CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)c2ccc(Cl)cc2Br)C1 ZINC000869779690 662661693 /nfs/dbraw/zinc/66/16/93/662661693.db2.gz DSPGBMKIKAZNQW-NSHDSACASA-N 1 0 375.694 2.678 20 0 GFADRO Cc1c(Br)c(COC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)nn1C ZINC000870513779 662693577 /nfs/dbraw/zinc/69/35/77/662693577.db2.gz RQSRTNSMLWDDSO-HNNXBMFYSA-N 1 0 376.270 2.747 20 0 GFADRO CC[C@H](C[NH+](C)C)OC(=O)CCNC(=O)c1cc(F)ccc1Br ZINC000870555029 662694586 /nfs/dbraw/zinc/69/45/86/662694586.db2.gz PEEZABXYGPSUJE-GFCCVEGCSA-N 1 0 389.265 2.592 20 0 GFADRO CC[C@@H](C(=O)Nc1ccc(N2CC[C@@H](CO)C2)c(Br)c1)[NH+](C)C ZINC000870889321 662705985 /nfs/dbraw/zinc/70/59/85/662705985.db2.gz GYLSLTKDVAYIJB-DOMZBBRYSA-N 1 0 384.318 2.546 20 0 GFADRO CC(C)[C@@H](C(=O)Nc1ccc(N2CC[C@H](CO)C2)c(Br)c1)[NH+](C)C ZINC000870889591 662706094 /nfs/dbraw/zinc/70/60/94/662706094.db2.gz MPEZIJYKKNPFDC-GUYCJALGSA-N 1 0 398.345 2.792 20 0 GFADRO O=C(Cc1coc2c1ccc(Cl)c2Cl)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000870914713 662708097 /nfs/dbraw/zinc/70/80/97/662708097.db2.gz RIXJWDPLQJGWBN-ZDUSSCGKSA-N 1 0 382.291 2.788 20 0 GFADRO O=C(c1cc(Br)cn2ccnc12)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000870914703 662708116 /nfs/dbraw/zinc/70/81/16/662708116.db2.gz RCAQDZDUJHBVRO-QWHCGFSZSA-N 1 0 377.286 2.559 20 0 GFADRO CC(C)[C@@H]([NH3+])CNC(=O)c1c(F)ccc(I)c1Cl ZINC000870936784 662709078 /nfs/dbraw/zinc/70/90/78/662709078.db2.gz PBTQEZNSWGOKNH-VIFPVBQESA-N 1 0 384.620 2.797 20 0 GFADRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)c1c(F)ccc(I)c1Cl ZINC000870942332 662709663 /nfs/dbraw/zinc/70/96/63/662709663.db2.gz LNAJNCPCSYVGQR-XVKPBYJWSA-N 1 0 396.631 2.954 20 0 GFADRO Cn1cc([C@@H]2CN(C(=O)c3ccc4ccc(Br)cc4c3)C[C@H]2[NH3+])cn1 ZINC000870948830 662711141 /nfs/dbraw/zinc/71/11/41/662711141.db2.gz NVFMPTGRNZKCNL-ZWKOTPCHSA-N 1 0 399.292 2.903 20 0 GFADRO COC(=O)[C@@H](c1ccc(Br)s1)N(C)C(=O)C1CC[NH+](C)CC1 ZINC000871395686 662721328 /nfs/dbraw/zinc/72/13/28/662721328.db2.gz AKKYKOJFDQLSSJ-CYBMUJFWSA-N 1 0 389.315 2.525 20 0 GFADRO [NH2+]=C(COC1CCC1)NOCc1noc(Cc2ccc(Br)cc2)n1 ZINC000871774400 662733436 /nfs/dbraw/zinc/73/34/36/662733436.db2.gz CJIRWOHIVBKPKE-UHFFFAOYSA-N 1 0 395.257 2.990 20 0 GFADRO [NH3+]C[C@H]1CN(S(=O)(=O)c2cc(Cl)ccc2Cl)C[C@H]1C(F)(F)F ZINC000871809729 662734620 /nfs/dbraw/zinc/73/46/20/662734620.db2.gz BHNOJYYYKMIZON-IONNQARKSA-N 1 0 377.215 2.751 20 0 GFADRO [NH3+]C[C@H]1CN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)C[C@@H]1C(F)(F)F ZINC000871811714 662734959 /nfs/dbraw/zinc/73/49/59/662734959.db2.gz RAYXZLZRLVPRAS-CBAPKCEASA-N 1 0 377.215 2.751 20 0 GFADRO Cc1cc(S(=O)(=O)N2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)ccc1C(F)(F)F ZINC000871813639 662735327 /nfs/dbraw/zinc/73/53/27/662735327.db2.gz JRIFIMNEBWKDEV-JOYOIKCWSA-N 1 0 390.349 2.772 20 0 GFADRO CC[C@H](CCC(F)(F)F)[NH2+]C1CCN(S(=O)(=O)C2CCOCC2)CC1 ZINC000872046682 662754697 /nfs/dbraw/zinc/75/46/97/662754697.db2.gz YWQXJWHODZIWGV-CYBMUJFWSA-N 1 0 386.480 2.670 20 0 GFADRO OC[C@H](C[NH2+][C@H](c1cccc(Br)c1)[C@H]1CCOC1)[C@@H]1CCOC1 ZINC000872067542 662755112 /nfs/dbraw/zinc/75/51/12/662755112.db2.gz AXTIFDYGNIOTOF-MUQADHOPSA-N 1 0 384.314 2.761 20 0 GFADRO CCS(=O)(=O)CCC[NH2+][C@H](c1cccc(Br)c1)[C@H]1CCOC1 ZINC000872080846 662755375 /nfs/dbraw/zinc/75/53/75/662755375.db2.gz SWFARQKJQZWJRO-GOEBONIOSA-N 1 0 390.343 2.941 20 0 GFADRO COC(=O)[C@]12C[C@H]1C[C@H]([NH2+]C[C@@](C)(O)c1ccc(Br)cc1F)C2 ZINC000872227544 662758269 /nfs/dbraw/zinc/75/82/69/662758269.db2.gz LWGDSZPUDOORSJ-AYCDNXFUSA-N 1 0 386.261 2.727 20 0 GFADRO O[C@H](C[NH2+]C[C@H]1CCC12CCOCC2)COc1cccc(Br)c1 ZINC000872229793 662758459 /nfs/dbraw/zinc/75/84/59/662758459.db2.gz SPFPPYLJBNRMMN-GDBMZVCRSA-N 1 0 384.314 2.985 20 0 GFADRO O=C(C[NH2+][C@]12CCC[C@H]1OCC2)Nc1c(F)cc(F)cc1Br ZINC000872315090 662760157 /nfs/dbraw/zinc/76/01/57/662760157.db2.gz UMOKKPRKEOIGDC-DOMZBBRYSA-N 1 0 375.213 2.967 20 0 GFADRO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2c1ncc(Cn2cc(Br)cn2)s1 ZINC000872779618 662788550 /nfs/dbraw/zinc/78/85/50/662788550.db2.gz HHNIQSAFAVNCKD-ZIAGYGMSSA-N 1 0 382.331 2.823 20 0 GFADRO C[C@@H](NCc1cccc(-n2cc(C[NH3+])nn2)c1)c1nc(Br)cs1 ZINC000873242362 662804518 /nfs/dbraw/zinc/80/45/18/662804518.db2.gz ANSSLSKCZIETBA-SNVBAGLBSA-N 1 0 393.314 2.796 20 0 GFADRO COc1cc(Br)c(NC(=O)N[C@]23CCC[C@H]2[NH2+]CC3)cc1OC ZINC000873302448 662804979 /nfs/dbraw/zinc/80/49/79/662804979.db2.gz CFYGUOSLOJZKQS-ZBFHGGJFSA-N 1 0 384.274 2.872 20 0 GFADRO COC(=O)c1c(C)c(C)sc1NC(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000873308450 662805057 /nfs/dbraw/zinc/80/50/57/662805057.db2.gz WFAAXMUZEIYCSL-VHSXEESVSA-N 1 0 379.404 2.752 20 0 GFADRO Cc1cc(Br)ncc1NC(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000873312282 662805150 /nfs/dbraw/zinc/80/51/50/662805150.db2.gz KTNFMLFRCIVUFD-BDAKNGLRSA-N 1 0 381.196 2.753 20 0 GFADRO COC(=O)c1cccc(NC(=O)N[C@]23CCC[C@@H]2[NH2+]CC3)c1Br ZINC000873324880 662805476 /nfs/dbraw/zinc/80/54/76/662805476.db2.gz UQHJYFHZYSQQEB-LRDDRELGSA-N 1 0 382.258 2.642 20 0 GFADRO C[NH+](C)[C@@]1(CNC(=O)C(=O)Nc2cc(Cl)cc(Cl)c2F)CCSC1 ZINC000873745445 662813172 /nfs/dbraw/zinc/81/31/72/662813172.db2.gz FEZFXQUCIVECGV-OAHLLOKOSA-N 1 0 394.299 2.625 20 0 GFADRO C[NH+]1CCC2(CCN(C(=O)C(=O)Nc3ccc(Br)cc3)CC2)CC1 ZINC000874012392 662821021 /nfs/dbraw/zinc/82/10/21/662821021.db2.gz WVWNGTNEBMROJD-UHFFFAOYSA-N 1 0 394.313 2.722 20 0 GFADRO C[N@@H+]1CCC[C@H]2[C@H]1CCN2C(=O)c1ccc2cncc(Br)c2n1 ZINC000874821936 662837243 /nfs/dbraw/zinc/83/72/43/662837243.db2.gz DZAYXHPDPZMFJU-CABCVRRESA-N 1 0 375.270 2.701 20 0 GFADRO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)c1ccc2cncc(Br)c2n1 ZINC000874821937 662837304 /nfs/dbraw/zinc/83/73/04/662837304.db2.gz DZAYXHPDPZMFJU-GJZGRUSLSA-N 1 0 375.270 2.701 20 0 GFADRO CC[NH+]1CCC(NC(=O)N2CC[C@@H](O)[C@H]2c2ccc(Br)cc2)CC1 ZINC000875005603 662840680 /nfs/dbraw/zinc/84/06/80/662840680.db2.gz VTJTVVTZNPTGLP-IAGOWNOFSA-N 1 0 396.329 2.751 20 0 GFADRO CCn1ncc(CNC(=O)N[C@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)n1 ZINC000875770673 662851549 /nfs/dbraw/zinc/85/15/49/662851549.db2.gz QKBAQUIRDLFYGE-OAHLLOKOSA-N 1 0 385.299 2.707 20 0 GFADRO C[NH+](C)CCOc1cc(C(=O)OCc2ncsc2Br)ccn1 ZINC000875799328 662852195 /nfs/dbraw/zinc/85/21/95/662852195.db2.gz IFONCPPANJBICF-UHFFFAOYSA-N 1 0 386.271 2.598 20 0 GFADRO C[NH+](C)C[C@H](NC(=O)N1CCC2(C1)OCCO2)c1ccc(Cl)c(Cl)c1 ZINC000875870925 662853208 /nfs/dbraw/zinc/85/32/08/662853208.db2.gz FXBGABOUNGNORV-HNNXBMFYSA-N 1 0 388.295 2.755 20 0 GFADRO C[C@@H]1CCN(C(=O)NCc2ccc(Br)cn2)C[C@H]1n1ccnc1 ZINC000876215030 662856842 /nfs/dbraw/zinc/85/68/42/662856842.db2.gz JBWONPHRESRLFR-IUODEOHRSA-N 1 0 378.274 2.833 20 0 GFADRO CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)[C@@H](F)[C@@H]1CC[NH2+]C1 ZINC000876568989 662862966 /nfs/dbraw/zinc/86/29/66/662862966.db2.gz BPHGQHPKYHPENE-YGRLFVJLSA-N 1 0 376.259 2.728 20 0 GFADRO [NH3+]C[C@@H]1[C@H](C(=O)N(Cc2cc(Br)ccc2F)C2CC2)C1(F)F ZINC000876585284 662863220 /nfs/dbraw/zinc/86/32/20/662863220.db2.gz GXRXSQIQUYYTOD-DGCLKSJQSA-N 1 0 377.204 2.919 20 0 GFADRO O=C(/C=C/[C@@H]1CCC[NH2+]C1)Nc1ncn(Cc2cccc(Br)c2)n1 ZINC000876632538 662863871 /nfs/dbraw/zinc/86/38/71/662863871.db2.gz VUGUXFIYIPHUEO-YBJDMEARSA-N 1 0 390.285 2.583 20 0 GFADRO CCOC(=O)[C@H](Cc1cc(Cl)cc(Cl)c1)NC(=O)[C@H](F)[C@@H]1CC[NH2+]C1 ZINC000876703939 662864989 /nfs/dbraw/zinc/86/49/89/662864989.db2.gz PEZSGQPFFYGOQH-BYCMXARLSA-N 1 0 391.270 2.531 20 0 GFADRO Cc1nc(C2CC[NH2+]CC2)sc1C(=O)NCc1nnc(C(C)(C)C)s1 ZINC000876705062 662864993 /nfs/dbraw/zinc/86/49/93/662864993.db2.gz VZROTFXSKQKALS-UHFFFAOYSA-N 1 0 379.555 2.998 20 0 GFADRO O=C(NCc1cc(Br)ccc1Br)[C@@H](F)[C@H]1CC[NH2+]C1 ZINC000876880763 662867605 /nfs/dbraw/zinc/86/76/05/662867605.db2.gz ZLRIQRPUPGWDMH-UFBFGSQYSA-N 1 0 394.082 2.775 20 0 GFADRO [NH3+][C@@H](C(=O)N1CCSC2(CCOCC2)C1)c1cccc(Br)c1 ZINC000876942780 662868468 /nfs/dbraw/zinc/86/84/68/662868468.db2.gz FFZRHXNWDNHXRY-CQSZACIVSA-N 1 0 385.327 2.574 20 0 GFADRO CC(C)(C)[C@@H](Cn1ccnc1)[NH2+]Cc1cnn2cc(Br)cnc12 ZINC000876955725 662868613 /nfs/dbraw/zinc/86/86/13/662868613.db2.gz BLJXDYSLBOCEIY-CQSZACIVSA-N 1 0 377.290 2.893 20 0 GFADRO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)[C@H]2C[C@@]2(C)Br)cc1F ZINC000876966497 662868750 /nfs/dbraw/zinc/86/87/50/662868750.db2.gz RYWHWVXDYQCMBX-GMIGKAJZSA-N 1 0 385.277 2.570 20 0 GFADRO COc1cccc([C@@H](CNC(=O)[C@H]([NH3+])c2cccc(Br)c2)OC)c1 ZINC000876990385 662869226 /nfs/dbraw/zinc/86/92/26/662869226.db2.gz ZXXHPUJLQFNXHI-IAGOWNOFSA-N 1 0 393.281 2.961 20 0 GFADRO O=C(NCCC[NH2+]Cc1ccc(Cl)nn1)c1cccc(Br)c1 ZINC000876994373 662869349 /nfs/dbraw/zinc/86/93/49/662869349.db2.gz GIOFISRCLRYJGL-UHFFFAOYSA-N 1 0 383.677 2.802 20 0 GFADRO CCN(CC[NH3+])C(=O)c1cnn(-c2ncccc2Cl)c1C(F)(F)Cl ZINC000877006524 662869585 /nfs/dbraw/zinc/86/95/85/662869585.db2.gz LLUNFYMTKUCTCB-UHFFFAOYSA-N 1 0 378.210 2.630 20 0 GFADRO COc1cc(Br)ccc1[C@@H]1CCCN1C(=O)CO[C@@H]1CCC[NH2+]C1 ZINC000877010571 662869603 /nfs/dbraw/zinc/86/96/03/662869603.db2.gz DEDHHAGWVQOAOA-ZBFHGGJFSA-N 1 0 397.313 2.890 20 0 GFADRO CS(=O)(=O)c1cc(C(=O)N2CCCc3cccc(C[NH3+])c32)ccc1Cl ZINC000877017145 662869655 /nfs/dbraw/zinc/86/96/55/662869655.db2.gz LNFUAOXPYINIIJ-UHFFFAOYSA-N 1 0 378.881 2.795 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)c2cc(Cl)c3c(c2)OCCO3)CC[C@@H]1C(F)(F)F ZINC000877018394 662869711 /nfs/dbraw/zinc/86/97/11/662869711.db2.gz WAGFEIRSGXNTKD-MNOVXSKESA-N 1 0 378.778 2.711 20 0 GFADRO CS(=O)(=O)[C@H]1CCC[C@H](NCc2nc(Cl)ccc2Br)C1 ZINC000877051328 662870204 /nfs/dbraw/zinc/87/02/04/662870204.db2.gz VRPIJUQMIKREJB-UWVGGRQHSA-N 1 0 381.723 2.943 20 0 GFADRO COC(=O)c1ccc(C[NH2+]CCCOC[C@@H]2CCOC2)cc1Br ZINC000877059581 662870328 /nfs/dbraw/zinc/87/03/28/662870328.db2.gz OTBQPOUOCGXQDP-AWEZNQCLSA-N 1 0 386.286 2.769 20 0 GFADRO C[C@@H](C[NH2+]Cc1cccc(S(N)(=O)=O)c1)Oc1cccc(Br)c1 ZINC000877069494 662870606 /nfs/dbraw/zinc/87/06/06/662870606.db2.gz BMTPXXBAVDCFRY-LBPRGKRZSA-N 1 0 399.310 2.654 20 0 GFADRO C[C@H]1C[C@@H](c2ccc(Br)cc2)CN1C(=O)c1c(C[NH3+])cnn1C ZINC000877067313 662870625 /nfs/dbraw/zinc/87/06/25/662870625.db2.gz GVGYWHCLSGISRS-WCQYABFASA-N 1 0 377.286 2.660 20 0 GFADRO CN1CC[C@@H]([NH2+]Cc2cccc(S(N)(=O)=O)c2)[C@H]1c1ccc(Cl)cc1 ZINC000877119145 662871325 /nfs/dbraw/zinc/87/13/25/662871325.db2.gz BQAOAGXEIFZVDO-QZTJIDSGSA-N 1 0 379.913 2.522 20 0 GFADRO CN1CC[C@@H](C[NH2+]CC2CCS(=O)(=O)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000877129063 662871458 /nfs/dbraw/zinc/87/14/58/662871458.db2.gz HWKXELIXCZZOHH-YJBOKZPZSA-N 1 0 388.936 2.886 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)c(C)c1C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000877243135 662872420 /nfs/dbraw/zinc/87/24/20/662872420.db2.gz GHQXQAJHCWMEAT-MQMHXKEQSA-N 1 0 377.286 2.719 20 0 GFADRO O=C(c1ccc(I)c(Cl)c1)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000877280756 662873084 /nfs/dbraw/zinc/87/30/84/662873084.db2.gz WSBVVZQHZPXIPW-OLZOCXBDSA-N 1 0 390.652 2.911 20 0 GFADRO O=C(NCC1(c2ccc(Br)cc2)CC1)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC000877306185 662873419 /nfs/dbraw/zinc/87/34/19/662873419.db2.gz IOVDSXYVVPCTKJ-GFCCVEGCSA-N 1 0 389.297 2.711 20 0 GFADRO COc1ccc(Cl)cc1NCCC(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000877361304 662874563 /nfs/dbraw/zinc/87/45/63/662874563.db2.gz RKNXGPRWBFFYNT-PWSUYJOCSA-N 1 0 379.810 2.746 20 0 GFADRO Cc1c(C(=O)N[C@]23CCC[C@H]2[NH2+]CC3)cnn1-c1ccc(Br)cc1 ZINC000877397871 662875467 /nfs/dbraw/zinc/87/54/67/662875467.db2.gz MFBIVMFJPCVEET-AEFFLSMTSA-N 1 0 389.297 2.958 20 0 GFADRO COC(=O)N1CCC[C@H]([C@@H](C)[NH2+]Cc2snc(OC)c2Br)C1 ZINC000877416031 662875699 /nfs/dbraw/zinc/87/56/99/662875699.db2.gz GKTUGRCAOYJTEO-ZJUUUORDSA-N 1 0 392.319 2.871 20 0 GFADRO CC(=O)N[C@@H](CC(=O)N(C)CCCCCC[NH3+])c1ccc(Br)cc1 ZINC000877442646 662876047 /nfs/dbraw/zinc/87/60/47/662876047.db2.gz RTDWSTXLFHIQSP-KRWDZBQOSA-N 1 0 398.345 2.994 20 0 GFADRO C[C@@]1(C[C@H]2CCC[N@@H+]2Cc2cc3nc(Cl)ccc3s2)NC(=O)NC1=O ZINC000877518962 662877768 /nfs/dbraw/zinc/87/77/68/662877768.db2.gz VRYRYFAPGJPKIG-QGHHPUGFSA-N 1 0 378.885 2.902 20 0 GFADRO COC(=O)c1ccc(C[NH2+][C@@H](C)C[C@H]2CCCC(=O)N2)c(Br)c1 ZINC000877527700 662878064 /nfs/dbraw/zinc/87/80/64/662878064.db2.gz NUZFPRWFUUDUKK-SMDDNHRTSA-N 1 0 383.286 2.773 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+][C@H](c2cccs2)C2(CO)CCC2)c(F)c1 ZINC000877577084 662879333 /nfs/dbraw/zinc/87/93/33/662879333.db2.gz TUGKUAFQOSNLSP-MRXNPFEDSA-N 1 0 384.498 2.528 20 0 GFADRO Cn1ncc2cc(C[N@H+](C)C[C@@H](O)c3ccccc3Br)cnc21 ZINC000877576743 662879341 /nfs/dbraw/zinc/87/93/41/662879341.db2.gz PLTAOJWNLXJFQF-MRXNPFEDSA-N 1 0 375.270 2.896 20 0 GFADRO CCNS(=O)(=O)c1cccc(C[NH2+][C@@H](C)CC[P@](C)(=O)OCC)c1 ZINC000877584736 662879411 /nfs/dbraw/zinc/87/94/11/662879411.db2.gz XOLMSGSMVLNNSY-LFVRLGFBSA-N 1 0 376.459 2.797 20 0 GFADRO COC(=O)N(C)CC[NH2+][C@@H]1CCN(C)[C@H](c2ccc(Br)cc2)C1 ZINC000877633430 662880479 /nfs/dbraw/zinc/88/04/79/662880479.db2.gz KXSDNIIISSXHEA-CVEARBPZSA-N 1 0 384.318 2.872 20 0 GFADRO COC(=O)c1ccc(C[NH2+]C[C@@H]2CC3(CO2)CCOCC3)cc1Br ZINC000877728436 662882538 /nfs/dbraw/zinc/88/25/38/662882538.db2.gz OXBLIDWLYBHFAJ-AWEZNQCLSA-N 1 0 398.297 2.911 20 0 GFADRO CS(=O)(=O)[C@H]1CCC[C@@H]([NH2+]Cc2nc(C(F)(F)F)n3c2CCCC3)C1 ZINC000877732886 662882553 /nfs/dbraw/zinc/88/25/53/662882553.db2.gz OZHNFMAPGKTNLG-NEPJUHHUSA-N 1 0 379.448 2.684 20 0 GFADRO COC(=O)[C@@H]1OCC[C@@H]1C[NH2+]Cc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000877726489 662882563 /nfs/dbraw/zinc/88/25/63/662882563.db2.gz BJUWPRGSGTVVAS-MLGOLLRUSA-N 1 0 394.269 2.507 20 0 GFADRO CS(=O)(=O)[C@@H]1CCC[C@@H]([NH2+][C@@H]2COc3cccc(Br)c3C2)C1 ZINC000877758453 662882922 /nfs/dbraw/zinc/88/29/22/662882922.db2.gz BWCUVYDLKHVDQU-FRRDWIJNSA-N 1 0 388.327 2.698 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+][C@@H]2[C@@H]3Cc4ccc(Br)cc4[C@@H]32)s1 ZINC000877760261 662883023 /nfs/dbraw/zinc/88/30/23/662883023.db2.gz DKTIJLWPHNOVRQ-VHDGCEQUSA-N 1 0 399.335 2.586 20 0 GFADRO CONC(=O)C1CC[NH+](Cc2c[nH]nc2-c2ccc(Br)s2)CC1 ZINC000877784273 662883638 /nfs/dbraw/zinc/88/36/38/662883638.db2.gz DJMALTWZNQEXBE-UHFFFAOYSA-N 1 0 399.314 2.790 20 0 GFADRO C[N@@H+]1CC[C@H]2CN(C(=O)Nc3ccccc3I)CC[C@@H]21 ZINC000877909391 662885669 /nfs/dbraw/zinc/88/56/69/662885669.db2.gz HBQAJHGHFXYWDB-FZMZJTMJSA-N 1 0 385.249 2.849 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(C(=O)Nc3cccc(I)c3)CC[C@H]21 ZINC000877940722 662886554 /nfs/dbraw/zinc/88/65/54/662886554.db2.gz VAWDKOPCZOXVQL-BXUZGUMPSA-N 1 0 385.249 2.849 20 0 GFADRO C[NH+](C)CCNC(=O)CCc1cc(Br)c(Br)s1 ZINC000877951122 662886800 /nfs/dbraw/zinc/88/68/00/662886800.db2.gz RKIFUKYFXGOXBP-UHFFFAOYSA-N 1 0 384.137 2.884 20 0 GFADRO OCC[C@H]([NH2+]C[C@H](O)CC1(O)CCCCC1)c1ccccc1Br ZINC000878395615 662895238 /nfs/dbraw/zinc/89/52/38/662895238.db2.gz FPXIXYIRVPYMNN-PBHICJAKSA-N 1 0 386.330 2.908 20 0 GFADRO Brc1ncn(CC[N@@H+]2CCC[C@@H](Cn3cnc4ccccc43)C2)n1 ZINC000878448993 662896665 /nfs/dbraw/zinc/89/66/65/662896665.db2.gz MECQXARAULWPNC-CQSZACIVSA-N 1 0 389.301 2.803 20 0 GFADRO CN1C(=O)C[C@@H]([NH2+]CCCS(=O)(=O)C(C)(C)C)[C@H]1c1ccc(Cl)cc1 ZINC000878509870 662897740 /nfs/dbraw/zinc/89/77/40/662897740.db2.gz XHMCILZZDYNVDX-NVXWUHKLSA-N 1 0 386.945 2.805 20 0 GFADRO CC(C)[N@H+](C[C@H](O)COc1ccccc1)C[C@H](O)c1cc(Br)no1 ZINC000878519093 662897963 /nfs/dbraw/zinc/89/79/63/662897963.db2.gz AMSLNEQMNNVDHS-ZFWWWQNUSA-N 1 0 399.285 2.621 20 0 GFADRO O[C@H](C[N@@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21)c1cc(Br)no1 ZINC000878604747 662900099 /nfs/dbraw/zinc/90/00/99/662900099.db2.gz DWWKMAQNAOIRDL-FXUDXRNXSA-N 1 0 393.281 2.975 20 0 GFADRO CC(C)(CO)[C@H]([NH2+]C[C@@H](O)c1cc(Br)no1)c1cccs1 ZINC000878621390 662900563 /nfs/dbraw/zinc/90/05/63/662900563.db2.gz BDQWUFCUGNVHOU-NOZJJQNGSA-N 1 0 375.288 2.881 20 0 GFADRO C[C@@H](C[N@H+](C[C@@H](O)c1cc(Br)no1)[C@@H](C)CO)c1ccccc1 ZINC000878620564 662900610 /nfs/dbraw/zinc/90/06/10/662900610.db2.gz ZLOAFXVBZKNFPM-KCQAQPDRSA-N 1 0 383.286 2.957 20 0 GFADRO OC[C@H]([NH2+]C[C@@H](O)CC1(O)CCCCC1)c1ccc(Br)c(F)c1 ZINC000878645043 662901508 /nfs/dbraw/zinc/90/15/08/662901508.db2.gz GPSUGYPRYXXYBK-BBRMVZONSA-N 1 0 390.293 2.657 20 0 GFADRO O[C@@H](C[NH2+]C1(Cc2ccccc2)CCOCC1)c1cc(Br)no1 ZINC000878688791 662902559 /nfs/dbraw/zinc/90/25/59/662902559.db2.gz QYUWUSYPJCGAOP-AWEZNQCLSA-N 1 0 381.270 2.852 20 0 GFADRO C[N@H+](C[C@H](O)C[C@@H](O)c1ccccc1)C[C@H](O)c1ccccc1Br ZINC000878692041 662902678 /nfs/dbraw/zinc/90/26/78/662902678.db2.gz VCCUZZOSKLRDRA-LZQZEXGQSA-N 1 0 394.309 2.899 20 0 GFADRO C[C@H](CNC(=O)c1cc(Br)ccc1C1CC1)C[NH+]1CCN(C)CC1 ZINC000879004835 662912819 /nfs/dbraw/zinc/91/28/19/662912819.db2.gz OHLGZAMMJLJRMN-CQSZACIVSA-N 1 0 394.357 2.940 20 0 GFADRO COC(=O)NC1CC[NH+](C[C@H](O)COc2cc(Cl)cc(Cl)c2)CC1 ZINC000879006669 662912833 /nfs/dbraw/zinc/91/28/33/662912833.db2.gz YWVZBXAHSMCVDJ-AWEZNQCLSA-N 1 0 377.268 2.554 20 0 GFADRO C[NH+]1CCC2(CCN([C@@H](C(N)=O)c3ccc(Br)cc3)CC2)CC1 ZINC000879249895 662921702 /nfs/dbraw/zinc/92/17/02/662921702.db2.gz FDWMNNLWTJTHEY-MRXNPFEDSA-N 1 0 380.330 2.783 20 0 GFADRO Cc1nccc(NC(=O)N2CCC3(CC2)CC[NH+](C)CC3)c1Br ZINC000879316449 662923107 /nfs/dbraw/zinc/92/31/07/662923107.db2.gz QBUMZXGKGUSQBX-UHFFFAOYSA-N 1 0 381.318 2.914 20 0 GFADRO CN(CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)OCC(F)(F)F ZINC000879515645 662928127 /nfs/dbraw/zinc/92/81/27/662928127.db2.gz YODQZKMDYBWHQG-UHFFFAOYSA-N 1 0 377.432 2.600 20 0 GFADRO COc1ccc([C@@H](C[NH+](C)C)NC(=O)Nc2cc(Br)nn2C)cc1 ZINC000879639465 662931637 /nfs/dbraw/zinc/93/16/37/662931637.db2.gz YBHJRNVXKXOPGE-CYBMUJFWSA-N 1 0 396.289 2.616 20 0 GFADRO C[C@]1(Cc2ccc(F)c(Cl)c2)CCC[N@@H+]1CC1(O)CCS(=O)(=O)CC1 ZINC000879645570 662933773 /nfs/dbraw/zinc/93/37/73/662933773.db2.gz XOMVSGBOTQCKNA-QGZVFWFLSA-N 1 0 389.920 2.816 20 0 GFADRO Cn1ncc(Br)c1CC(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000879853167 662940828 /nfs/dbraw/zinc/94/08/28/662940828.db2.gz CCWSJPWNNMXBBB-CQSZACIVSA-N 1 0 383.334 2.638 20 0 GFADRO Cn1cc(NC(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)c(Br)n1 ZINC000880040631 662946451 /nfs/dbraw/zinc/94/64/51/662946451.db2.gz AIQGHQVYEMHNLN-ZDUSSCGKSA-N 1 0 384.253 2.746 20 0 GFADRO Cn1cc(NC(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)c(Br)n1 ZINC000880058730 662948581 /nfs/dbraw/zinc/94/85/81/662948581.db2.gz YAWPXRJFZWGZMM-AWEZNQCLSA-N 1 0 392.301 2.826 20 0 GFADRO Cn1cc(NC(=O)N[C@]2(C)CC[N@H+](Cc3ccccc3)C2)c(Br)n1 ZINC000880064323 662949565 /nfs/dbraw/zinc/94/95/65/662949565.db2.gz MPNAYKIAULUMBR-QGZVFWFLSA-N 1 0 392.301 2.969 20 0 GFADRO Cc1ccc(C[N@H+]2CC[C@H](NC(=O)Nc3cn(C)nc3Br)C2)cc1 ZINC000880066617 662950008 /nfs/dbraw/zinc/95/00/08/662950008.db2.gz VIEHXMPNDDNDLR-AWEZNQCLSA-N 1 0 392.301 2.887 20 0 GFADRO Cn1c(Cl)cnc1-c1csc(NC(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)n1 ZINC000880077400 662950510 /nfs/dbraw/zinc/95/05/10/662950510.db2.gz VJASTSPBLDKDTN-CMPLNLGQSA-N 1 0 380.905 2.755 20 0 GFADRO C[N@@H+]1C[C@H]2CCN(C(=O)c3ccc(OC(F)F)c(Br)c3)[C@H]2C1 ZINC000880090972 662950891 /nfs/dbraw/zinc/95/08/91/662950891.db2.gz QPYZARWANFTPNJ-PWSUYJOCSA-N 1 0 375.213 2.827 20 0 GFADRO CN(Cc1cc(Br)cs1)C(=O)C[N@@H+]1CC[C@@H](C(C)(C)O)C1 ZINC000880145619 662952431 /nfs/dbraw/zinc/95/24/31/662952431.db2.gz PMCRZNRRCUFRLA-LLVKDONJSA-N 1 0 375.332 2.562 20 0 GFADRO NC(=O)C1([NH+]2CCCCC2)CCN(Cc2cscc2Br)CC1 ZINC000880252884 662956546 /nfs/dbraw/zinc/95/65/46/662956546.db2.gz GPCFGPZIYHKUGE-UHFFFAOYSA-N 1 0 386.359 2.816 20 0 GFADRO O[C@H]1C[N@H+](CCOc2cc(F)cc(Br)c2)CC2(CCOCC2)C1 ZINC000880581701 662963058 /nfs/dbraw/zinc/96/30/58/662963058.db2.gz FVEAWEHXGKVQCU-OAHLLOKOSA-N 1 0 388.277 2.830 20 0 GFADRO O[C@@H]1C[N@H+](Cc2nc3cc(Br)ccc3o2)CC2(CCOCC2)C1 ZINC000880586098 662963380 /nfs/dbraw/zinc/96/33/80/662963380.db2.gz WKFLYTKCZAUKRX-ZDUSSCGKSA-N 1 0 381.270 2.954 20 0 GFADRO CC(C)(O)C[NH+]1CCN(C(=O)N[C@H](c2cccc(Cl)c2)C(F)F)CC1 ZINC000881224273 662985589 /nfs/dbraw/zinc/98/55/89/662985589.db2.gz ZMQYNXXUNDJCPQ-CQSZACIVSA-N 1 0 375.847 2.744 20 0 GFADRO C[NH+](C)C1(C)CCC(NC(=O)c2cccnc2I)CC1 ZINC000881432476 662994121 /nfs/dbraw/zinc/99/41/21/662994121.db2.gz AOKYEGIVUFNSCJ-UHFFFAOYSA-N 1 0 387.265 2.679 20 0 GFADRO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NCCc1sccc1Br ZINC000881846678 663005718 /nfs/dbraw/zinc/00/57/18/663005718.db2.gz NWRNBNLSHUWEDA-OAHLLOKOSA-N 1 0 389.359 2.963 20 0 GFADRO O=S(=O)(c1cnc(Cl)cc1C(F)(F)F)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000881856439 663006323 /nfs/dbraw/zinc/00/63/23/663006323.db2.gz ITZTZNGGDAYBCG-SNVBAGLBSA-N 1 0 383.823 2.613 20 0 GFADRO Brc1nnc2ccc(N3CCC[C@H](C[NH+]4CCCCCC4)C3)nn12 ZINC000881916175 663009695 /nfs/dbraw/zinc/00/96/95/663009695.db2.gz XLHGSDQCNPDRMI-CQSZACIVSA-N 1 0 393.333 2.979 20 0 GFADRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(c2ccc3nnc(Br)n3n2)C1 ZINC000881982646 663012122 /nfs/dbraw/zinc/01/21/22/663012122.db2.gz DKSNYQOYZBHRLY-UONOGXRCSA-N 1 0 393.333 2.978 20 0 GFADRO C[C@H](Nc1ccc2nnc(Br)n2n1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000882171594 663019368 /nfs/dbraw/zinc/01/93/68/663019368.db2.gz GSFKXKYEISIMGS-NWDGAFQWSA-N 1 0 379.306 2.952 20 0 GFADRO C[NH+]1CCC2(CC1)CN(c1ccc([S@@](=N)(=O)C(F)(F)F)cc1)CCO2 ZINC000882517760 663030113 /nfs/dbraw/zinc/03/01/13/663030113.db2.gz BHFBPHHEDIUOAA-RUZDIDTESA-N 1 0 377.432 2.913 20 0 GFADRO CN(CCCC[NH+]1CCCCC1)S(=O)(=O)N=[S@](C)(=O)C1CCCCC1 ZINC000882798065 663042471 /nfs/dbraw/zinc/04/24/71/663042471.db2.gz OYMOKUZDVVLFOT-XMMPIXPASA-N 1 0 393.619 2.860 20 0 GFADRO CCC(C)(C)[NH2+][C@H](C)C(=O)Nc1cc(Br)cc2c1NC(=O)CO2 ZINC000883026966 663047074 /nfs/dbraw/zinc/04/70/74/663047074.db2.gz KYXDFQXSFDFHFK-SECBINFHSA-N 1 0 384.274 2.885 20 0 GFADRO COC[C@@H]([NH2+]CCCNC(=O)c1cccc(Br)c1)[C@H]1CCCOC1 ZINC000883184240 663051034 /nfs/dbraw/zinc/05/10/34/663051034.db2.gz RYPAFHGRYKHGIC-DOTOQJQBSA-N 1 0 399.329 2.600 20 0 GFADRO COC[C@H]([NH2+]C[C@H](CO)Cc1ccccc1Br)[C@H]1CCCOC1 ZINC000883219549 663051566 /nfs/dbraw/zinc/05/15/66/663051566.db2.gz VITQCWNFNDVSOR-HFTRVMKXSA-N 1 0 386.330 2.631 20 0 GFADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]CC1(C)CC(F)(F)C1 ZINC000883250348 663051977 /nfs/dbraw/zinc/05/19/77/663051977.db2.gz QTILNYUFYRAYTF-LLVKDONJSA-N 1 0 381.876 2.730 20 0 GFADRO O=C1NCCn2c(C[NH2+][C@@H]3CCC[C@H]3c3ccc(Cl)c(Cl)c3)nnc21 ZINC000883303739 663053167 /nfs/dbraw/zinc/05/31/67/663053167.db2.gz FPNLFUKUUFGNQJ-SMDDNHRTSA-N 1 0 380.279 2.754 20 0 GFADRO C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]CC[C@@H]1CCCS1(=O)=O ZINC000883306286 663053296 /nfs/dbraw/zinc/05/32/96/663053296.db2.gz RQWCENXTQKMQTK-HOCLYGCPSA-N 1 0 386.945 2.634 20 0 GFADRO O=S1(=O)CCC[C@H]1CC[NH2+][C@@H](c1nc(Br)cs1)C1CC1 ZINC000883309545 663053358 /nfs/dbraw/zinc/05/33/58/663053358.db2.gz OTFQCEQKVIDDNB-CMPLNLGQSA-N 1 0 379.345 2.914 20 0 GFADRO CC[C@@H](CSc1ccc(Cl)cc1)[NH2+]Cc1nnc2c(=O)n(C)ccn12 ZINC000883333443 663053568 /nfs/dbraw/zinc/05/35/68/663053568.db2.gz TYTFIFNDBNJPLY-ZDUSSCGKSA-N 1 0 377.901 2.742 20 0 GFADRO Brc1ccccc1CC[NH+]1CCC(c2nnc3n2CCNC3)CC1 ZINC000883430259 663055063 /nfs/dbraw/zinc/05/50/63/663055063.db2.gz QVOWHOPPRPGPFF-UHFFFAOYSA-N 1 0 390.329 2.566 20 0 GFADRO [NH3+]CCN(CC(=O)Nc1ccc(OC(F)F)c(Cl)c1)CC(F)(F)F ZINC000883445998 663055348 /nfs/dbraw/zinc/05/53/48/663055348.db2.gz SSBULGMJRSBUTK-UHFFFAOYSA-N 1 0 375.725 2.703 20 0 GFADRO Cc1cc(Br)c(Cl)cc1S(=O)(=O)N1CC[C@H]([NH3+])C[C@H]1C ZINC000883467835 663055571 /nfs/dbraw/zinc/05/55/71/663055571.db2.gz AJTADJNUPGWSSE-ZJUUUORDSA-N 1 0 381.723 2.911 20 0 GFADRO CC[C@@H](C)Oc1cccc(S(=O)(=O)N2CCc3sc(C[NH3+])nc3C2)c1 ZINC000883480987 663055880 /nfs/dbraw/zinc/05/58/80/663055880.db2.gz UCIQPOGMMJOQFA-GFCCVEGCSA-N 1 0 381.523 2.526 20 0 GFADRO COC(=O)c1cc(Cl)cc(NC(=O)N2CCc3sc(C[NH3+])nc3C2)c1 ZINC000883542663 663056886 /nfs/dbraw/zinc/05/68/86/663056886.db2.gz PLGZBSLVXAOWKS-UHFFFAOYSA-N 1 0 380.857 2.632 20 0 GFADRO C[NH2+]Cc1cccc(NC(=O)C(=O)N(C)Cc2cscc2Br)c1 ZINC000883630386 663058463 /nfs/dbraw/zinc/05/84/63/663058463.db2.gz SOPIYIVQNNGDME-UHFFFAOYSA-N 1 0 396.310 2.827 20 0 GFADRO O=C(NCCC[C@H]1CC1(Cl)Cl)N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000883764954 663060277 /nfs/dbraw/zinc/06/02/77/663060277.db2.gz MAYSJGYEVGOYLK-ZFWWWQNUSA-N 1 0 378.344 2.903 20 0 GFADRO C[NH2+][C@H]1CCN(C(=O)Cc2csc(-c3sccc3Br)n2)C1 ZINC000884008930 663063803 /nfs/dbraw/zinc/06/38/03/663063803.db2.gz GHPJAYJFBONVPN-VIFPVBQESA-N 1 0 386.340 2.997 20 0 GFADRO C[NH2+]C[C@@H]1CCCN1C(=O)c1cc(Br)nn1-c1ncccc1Cl ZINC000884040383 663064055 /nfs/dbraw/zinc/06/40/55/663064055.db2.gz RRUBJHWKBXBLAA-JTQLQIEISA-N 1 0 398.692 2.507 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)C(C)(C)[C@@H]([NH3+])C(C)C ZINC000884055668 663064331 /nfs/dbraw/zinc/06/43/31/663064331.db2.gz VTOCZSROKJVZFR-HNNXBMFYSA-N 1 0 384.318 2.822 20 0 GFADRO [NH3+][C@@H](C(=O)N[C@@H]1CCCc2[nH]c(=O)ccc21)c1ccc(Br)cc1 ZINC000884065172 663064336 /nfs/dbraw/zinc/06/43/36/663064336.db2.gz GPGINQSEZNNWHD-GDBMZVCRSA-N 1 0 376.254 2.743 20 0 GFADRO [NH3+][C@H](C(=O)N[C@@H]1CCCc2[nH]c(=O)ccc21)c1ccc(Br)cc1 ZINC000884065175 663064460 /nfs/dbraw/zinc/06/44/60/663064460.db2.gz GPGINQSEZNNWHD-ZBFHGGJFSA-N 1 0 376.254 2.743 20 0 GFADRO CN(Cc1cccc(Br)c1)C(=O)c1ccnc(N2CC[NH2+]CC2)c1 ZINC000884076910 663064562 /nfs/dbraw/zinc/06/45/62/663064562.db2.gz SKDGROXWSYCWIN-UHFFFAOYSA-N 1 0 389.297 2.526 20 0 GFADRO C[C@H](NC(=O)[C@@H]1C[NH2+]CC1(C)C)c1nc(-c2ccc(Br)cc2)no1 ZINC000884173716 663066348 /nfs/dbraw/zinc/06/63/48/663066348.db2.gz CJQFWOJPQFGNJF-GWCFXTLKSA-N 1 0 393.285 2.922 20 0 GFADRO Cc1nc(CC(F)(F)F)sc1CC(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000884300590 663068441 /nfs/dbraw/zinc/06/84/41/663068441.db2.gz CHEQTHZIKCCHAG-QWHCGFSZSA-N 1 0 375.460 2.947 20 0 GFADRO [NH3+]CCC[C@H](NC(=O)c1nn2c(c1Br)CCC2)c1ccccc1 ZINC000884337244 663069284 /nfs/dbraw/zinc/06/92/84/663069284.db2.gz HDZPJYYJBLLEIF-ZDUSSCGKSA-N 1 0 377.286 2.802 20 0 GFADRO C[NH2+][C@@H](CC(C)C)C(=O)N1Cc2sc(C(=O)OC)c(Br)c2C1 ZINC000884420068 663070437 /nfs/dbraw/zinc/07/04/37/663070437.db2.gz JJYDCIVBAOWMIF-JTQLQIEISA-N 1 0 389.315 2.774 20 0 GFADRO Cc1c(Br)cccc1CS(=O)(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000884958787 663079787 /nfs/dbraw/zinc/07/97/87/663079787.db2.gz DQXMRAMYFZGESD-CABCVRRESA-N 1 0 387.343 2.804 20 0 GFADRO C[NH+]1CCC(C(=O)N2CCC[C@](O)(c3ccc(Br)cc3)C2)CC1 ZINC000884968164 663080635 /nfs/dbraw/zinc/08/06/35/663080635.db2.gz KVFFWONRFZOROF-GOSISDBHSA-N 1 0 381.314 2.601 20 0 GFADRO O=C(NC[C@H]1CC[N@@H+]1C1CCOCC1)c1cccnc1SC(F)(F)F ZINC000885866120 663099526 /nfs/dbraw/zinc/09/95/26/663099526.db2.gz SEEJCXCOTQKSRA-GFCCVEGCSA-N 1 0 375.416 2.677 20 0 GFADRO COc1cc(C(=O)NC[C@H]2CC[N@@H+]2C2CCOCC2)sc1Br ZINC000885875781 663100073 /nfs/dbraw/zinc/10/00/73/663100073.db2.gz LUYFTSNCNBENGN-LLVKDONJSA-N 1 0 389.315 2.502 20 0 GFADRO C[C@@H](C(=O)NC[C@H]1CC[N@@H+]1C1CCOCC1)c1cccc(Br)c1 ZINC000885886207 663100588 /nfs/dbraw/zinc/10/05/88/663100588.db2.gz SXQPHIFLFMSZSP-CXAGYDPISA-N 1 0 381.314 2.922 20 0 GFADRO O=C(NC[C@H]1CC[N@@H+]1C1CCOCC1)c1ccc(Br)c(F)c1F ZINC000885890958 663100664 /nfs/dbraw/zinc/10/06/64/663100664.db2.gz MTIYAVRGTOHRKC-LLVKDONJSA-N 1 0 389.240 2.710 20 0 GFADRO Cc1nn(-c2cccc(Br)c2)cc1C[NH2+][C@H](CO)C[C@H]1CCCO1 ZINC000886220091 663105169 /nfs/dbraw/zinc/10/51/69/663105169.db2.gz BQMDWYFKLJGRIL-FUHWJXTLSA-N 1 0 394.313 2.963 20 0 GFADRO COC(=O)c1cc2n(n1)CCC[C@H]2[NH2+]CCNc1ncc(Cl)cc1Cl ZINC000886531992 663113443 /nfs/dbraw/zinc/11/34/43/663113443.db2.gz BCZOAWADSCTGMP-GFCCVEGCSA-N 1 0 384.267 2.908 20 0 GFADRO O[C@@H](COc1ccc(Br)cc1)C[N@@H+]1CCC[C@H](c2ncccn2)C1 ZINC000886672337 663115475 /nfs/dbraw/zinc/11/54/75/663115475.db2.gz MOQNJCDSUPVYTP-GOEBONIOSA-N 1 0 392.297 2.858 20 0 GFADRO CCC1([NH+]2CCC2)CCN([C@@H](C(N)=O)c2ccc(Br)cc2)CC1 ZINC000886714871 663116134 /nfs/dbraw/zinc/11/61/34/663116134.db2.gz WTTIFVMXZPORDY-MRXNPFEDSA-N 1 0 380.330 2.926 20 0 GFADRO C[NH2+]C[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Br)cc2C)C1 ZINC000886882434 663123319 /nfs/dbraw/zinc/12/33/19/663123319.db2.gz REGFXDCRPRIJEA-ZDUSSCGKSA-N 1 0 375.332 2.519 20 0 GFADRO COc1cc(Cl)c(S(=O)(=O)NC[C@@H]2C[NH2+]CCC2(F)F)cc1Cl ZINC000886896270 663123948 /nfs/dbraw/zinc/12/39/48/663123948.db2.gz DKGZJLCMPLIQAQ-QMMMGPOBSA-N 1 0 389.251 2.525 20 0 GFADRO O=S(=O)(c1cc(F)ccc1OC(F)F)N1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886900857 663124195 /nfs/dbraw/zinc/12/41/95/663124195.db2.gz JLOCWXABZYLICD-MRXNPFEDSA-N 1 0 378.416 2.581 20 0 GFADRO C[C@@H](NC(=O)C[NH2+][C@H](C)c1cccc(SC(F)(F)F)c1)C(=O)N(C)C ZINC000886930321 663125145 /nfs/dbraw/zinc/12/51/45/663125145.db2.gz YYVXGBXXUHDEEO-GHMZBOCLSA-N 1 0 377.432 2.542 20 0 GFADRO C[N@@H+]1C[C@@H]2CN(C(=O)c3cc(=O)[nH]c4c(Br)cccc34)C[C@]2(C)C1 ZINC000887932088 663170695 /nfs/dbraw/zinc/17/06/95/663170695.db2.gz VAWGRKHWDAXXPR-ZMZPIMSZSA-N 1 0 390.281 2.727 20 0 GFADRO Cn1cc(C(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)c(Br)n1 ZINC000887939934 663170901 /nfs/dbraw/zinc/17/09/01/663170901.db2.gz UTGKRNPWZUJKII-OAHLLOKOSA-N 1 0 377.286 2.750 20 0 GFADRO Cc1c(Br)cncc1NC(=O)[C@@H]1CC[N@@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000888902689 663224556 /nfs/dbraw/zinc/22/45/56/663224556.db2.gz ZUILQBNYDZONIB-ZIAGYGMSSA-N 1 0 392.301 2.560 20 0 GFADRO C[NH+]1CCC2(CCN2C(=O)C[C@@H]2C(=O)Nc3c2cccc3Br)CC1 ZINC000889217839 663237711 /nfs/dbraw/zinc/23/77/11/663237711.db2.gz JAMCHLHYORBLRH-ZDUSSCGKSA-N 1 0 392.297 2.572 20 0 GFADRO C[NH+]1CCC2(CCN2C(=O)c2cc(Br)c3nccnc3c2)CC1 ZINC000889217535 663237719 /nfs/dbraw/zinc/23/77/19/663237719.db2.gz FXVIYZIQZZERPT-UHFFFAOYSA-N 1 0 375.270 2.703 20 0 GFADRO C[C@H](Cc1ccc(Br)cc1)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000889760457 663264134 /nfs/dbraw/zinc/26/41/34/663264134.db2.gz GKJPYHWSNGMPRT-OLMNPRSZSA-N 1 0 395.341 2.685 20 0 GFADRO O=C(CCc1cc(F)ccc1Br)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000889762819 663264676 /nfs/dbraw/zinc/26/46/76/663264676.db2.gz QMSBINPSBIQYMG-IRXDYDNUSA-N 1 0 399.304 2.578 20 0 GFADRO O=C(c1cc2cc(Br)sc2[nH]1)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000889773241 663265777 /nfs/dbraw/zinc/26/57/77/663265777.db2.gz HMZLPYKQLGQRRD-CHWSQXEVSA-N 1 0 398.326 2.663 20 0 GFADRO O=C(c1cc2cc(Br)ccc2o1)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000889775112 663266059 /nfs/dbraw/zinc/26/60/59/663266059.db2.gz LDWSHJUIBORAGK-LSDHHAIUSA-N 1 0 393.281 2.867 20 0 GFADRO C[NH+](C)CCc1ccccc1NC(=O)c1nn2c(c1Br)CCC2 ZINC000890118469 663284551 /nfs/dbraw/zinc/28/45/51/663284551.db2.gz RAHFUSIKBUXFLK-UHFFFAOYSA-N 1 0 377.286 2.948 20 0 GFADRO C[NH+](C)CCCC(C)(C)NC(=O)[C@@H]1Cc2ccc(Br)cc2C(=O)O1 ZINC000891311845 663334732 /nfs/dbraw/zinc/33/47/32/663334732.db2.gz LTKJDZSVSHRLJQ-HNNXBMFYSA-N 1 0 397.313 2.767 20 0 GFADRO COCCC1(NC(=O)N[C@H](C)Cc2ccc(Br)cc2)CC[NH2+]CC1 ZINC000891378794 663337888 /nfs/dbraw/zinc/33/78/88/663337888.db2.gz WYEYHQUQVUFBEL-CQSZACIVSA-N 1 0 398.345 2.838 20 0 GFADRO CCn1c(Br)c(Br)nc1CN1CCC[N@H+](C)CC1 ZINC000891393470 663338124 /nfs/dbraw/zinc/33/81/24/663338124.db2.gz OWOZHACQMPOHMT-UHFFFAOYSA-N 1 0 380.128 2.566 20 0 GFADRO C[C@H]1C[C@@H]([NH3+])CN1C(=O)NCC1(c2cccc(Br)c2)CCOCC1 ZINC000891395774 663338302 /nfs/dbraw/zinc/33/83/02/663338302.db2.gz XEIUATBJGZLZQE-XJKSGUPXSA-N 1 0 396.329 2.628 20 0 GFADRO CC(C)(C[NH+]1CCC(NS(C)(=O)=O)CC1)c1ccc(Br)cc1 ZINC000891542726 663343196 /nfs/dbraw/zinc/34/31/96/663343196.db2.gz NTCDFOGRLATHMI-UHFFFAOYSA-N 1 0 389.359 2.740 20 0 GFADRO CO[C@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)NC[C@H]1C[NH2+]CCC1(F)F ZINC000891574424 663344462 /nfs/dbraw/zinc/34/44/62/663344462.db2.gz FXDMKHMOYHXYEF-LNSITVRQSA-N 1 0 375.847 2.960 20 0 GFADRO Cc1[nH+]ccc(NCc2ccc(C(=O)N3CCOCC3)cc2)c1Br ZINC000891678640 663347001 /nfs/dbraw/zinc/34/70/01/663347001.db2.gz KGJPWXDOAJQZPH-UHFFFAOYSA-N 1 0 390.281 2.659 20 0 GFADRO C[N@@H+](Cc1ncc(Br)cc1O)C[C@@H](O)COCc1ccccc1 ZINC000891796780 663350754 /nfs/dbraw/zinc/35/07/54/663350754.db2.gz PTGWDTCEKRTMIK-OAHLLOKOSA-N 1 0 381.270 2.559 20 0 GFADRO O=C(NC[C@@H]1C[NH2+]CCC1(F)F)N[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000891873437 663353579 /nfs/dbraw/zinc/35/35/79/663353579.db2.gz ZPLBIULLAKHQIC-FPMFFAJLSA-N 1 0 388.256 2.849 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)NCc2ccn(-c3ccc(Br)cc3)n2)CC[NH2+]1 ZINC000892094691 663361449 /nfs/dbraw/zinc/36/14/49/663361449.db2.gz BQHLLUUOKLWTKY-OCCSQVGLSA-N 1 0 392.301 2.575 20 0 GFADRO C[C@H]([NH3+])C[C@H](C)NC(=O)N(C)C[C@@H](O)COc1cc(Cl)cc(Cl)c1 ZINC000892200718 663365780 /nfs/dbraw/zinc/36/57/80/663365780.db2.gz RFGVKNDVOZUFJA-COPLHBTASA-N 1 0 378.300 2.500 20 0 GFADRO [NH3+]CCCCCCNC(=O)NCc1ccn(-c2ccc(Br)cc2)n1 ZINC000892212623 663365802 /nfs/dbraw/zinc/36/58/02/663365802.db2.gz RRMOHCYQCSIANB-UHFFFAOYSA-N 1 0 394.317 2.953 20 0 GFADRO Cc1c(Br)cccc1CNC(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000892233137 663366556 /nfs/dbraw/zinc/36/65/56/663366556.db2.gz SRUUTRYJTKOAMU-OAHLLOKOSA-N 1 0 396.329 2.715 20 0 GFADRO [NH3+]C[C@H]1CC[C@H](NC(=O)N[C@@H]2[C@H]3Cc4ccc(Br)cc4[C@@H]23)CC1 ZINC000892431176 663373628 /nfs/dbraw/zinc/37/36/28/663373628.db2.gz WGHCRSZJJWCDEH-FUENOYCASA-N 1 0 378.314 2.904 20 0 GFADRO CC(=O)Nc1cc(Br)ccc1C[NH2+]C[C@H](C(C)C)N1CCOCC1 ZINC000892500349 663375715 /nfs/dbraw/zinc/37/57/15/663375715.db2.gz QVPNWAWHGHNEBD-GOSISDBHSA-N 1 0 398.345 2.854 20 0 GFADRO COc1cc(C[NH2+][C@@H](C)[C@@H]2CCS(=O)(=O)C2)ccc1OCC(F)(F)F ZINC000892541503 663376733 /nfs/dbraw/zinc/37/67/33/663376733.db2.gz BGLLQQWWPVGYIR-WCQYABFASA-N 1 0 381.416 2.549 20 0 GFADRO Oc1cc(Br)cnc1C[NH2+]Cc1cccc(CN2CCOCC2)c1 ZINC000892615067 663378735 /nfs/dbraw/zinc/37/87/35/663378735.db2.gz QRQNFOUPBOZWKJ-UHFFFAOYSA-N 1 0 392.297 2.672 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)NCc2ccc(Br)cn2)CC[C@H]1C(F)(F)F ZINC000892617072 663378915 /nfs/dbraw/zinc/37/89/15/663378915.db2.gz SMWSTBMYRQHEPV-JOYOIKCWSA-N 1 0 395.223 2.513 20 0 GFADRO [NH3+]Cc1nc2c(s1)CCN(C(=O)NCc1ccc(C(F)(F)F)s1)C2 ZINC000892701815 663382464 /nfs/dbraw/zinc/38/24/64/663382464.db2.gz VKHFXZKCQSACFM-UHFFFAOYSA-N 1 0 376.429 2.950 20 0 GFADRO CC(C)([NH3+])CCNC(=O)N(CCn1ccnc1)Cc1ccc(Br)o1 ZINC000892850149 663386735 /nfs/dbraw/zinc/38/67/35/663386735.db2.gz ROUUYLXQFLTBJB-UHFFFAOYSA-N 1 0 398.305 2.578 20 0 GFADRO CCC1([NH3+])CCN(C(=O)NCc2ccc(C(=O)OC)cc2Br)CC1 ZINC000892925519 663389869 /nfs/dbraw/zinc/38/98/69/663389869.db2.gz JUUWIRKRZJDWIR-UHFFFAOYSA-N 1 0 398.301 2.649 20 0 GFADRO C[C@]1(Br)C[C@@H]1C[NH2+]C[C@H](O)c1cc(Cl)c2c(c1)OCCO2 ZINC000892991642 663392279 /nfs/dbraw/zinc/39/22/79/663392279.db2.gz JRUQTZQKXSZNER-GMXABZIVSA-N 1 0 376.678 2.908 20 0 GFADRO COCCOC[C@@H](C)[NH2+][C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000893140218 663398503 /nfs/dbraw/zinc/39/85/03/663398503.db2.gz SIZSYFMSHDONJF-DGCLKSJQSA-N 1 0 381.826 2.974 20 0 GFADRO CCOC(=O)c1ncc(Br)c(N(CC)CCC[NH+]2CCCC2)n1 ZINC000893425683 663410494 /nfs/dbraw/zinc/41/04/94/663410494.db2.gz BTTWEQCATATRQR-UHFFFAOYSA-N 1 0 385.306 2.728 20 0 GFADRO C[C@H]([NH2+]C[C@H](c1cccc(C(F)(F)F)c1)N(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000893646369 663418780 /nfs/dbraw/zinc/41/87/80/663418780.db2.gz JFRGKECBABHXNX-JGGQBBKZSA-N 1 0 378.460 2.721 20 0 GFADRO C[N@@H+]1CC[C@@]2(CCN(c3ncnc4c3c(Br)nn4C(C)(C)C)C2)C1 ZINC000893963261 663433870 /nfs/dbraw/zinc/43/38/70/663433870.db2.gz CNGFDTNRQYANMH-QGZVFWFLSA-N 1 0 393.333 2.876 20 0 GFADRO CCN(Cc1nc(Br)nn1C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000894077736 663441192 /nfs/dbraw/zinc/44/11/92/663441192.db2.gz WKRYTLUPPNXRTC-INIZCTEOSA-N 1 0 392.345 2.922 20 0 GFADRO F[C@H]1CC2(CC[C@H]1[NH2+]CCCCn1cc(Br)cn1)OCCO2 ZINC000894135651 663444975 /nfs/dbraw/zinc/44/49/75/663444975.db2.gz YKKKCTRCWBBBBC-UONOGXRCSA-N 1 0 376.270 2.649 20 0 GFADRO OC[C@@H](C[NH2+]Cc1sc(N2CCOCC2)nc1Cl)Cc1ccccc1 ZINC000894202837 663448536 /nfs/dbraw/zinc/44/85/36/663448536.db2.gz MRHVVPYSXFVEQZ-OAHLLOKOSA-N 1 0 381.929 2.574 20 0 GFADRO OCCOC1(C[NH2+]Cc2c(Br)ccc(Cl)c2F)CCOCC1 ZINC000894260098 663451321 /nfs/dbraw/zinc/45/13/21/663451321.db2.gz BGFFIZHTNUNKGW-UHFFFAOYSA-N 1 0 396.684 2.889 20 0 GFADRO C[C@H](CCNS(=O)(=O)c1ccccc1)[NH2+]C[C@H]1C[C@]1(C)Br ZINC000894278987 663452264 /nfs/dbraw/zinc/45/22/64/663452264.db2.gz KHEVPUJBNMCWSR-NFAWXSAZSA-N 1 0 375.332 2.507 20 0 GFADRO CCOc1cc(CCC[NH2+]Cc2nc(Br)nn2C)ccc1OC ZINC000894282843 663452278 /nfs/dbraw/zinc/45/22/78/663452278.db2.gz FLRQLXDXJIROBA-UHFFFAOYSA-N 1 0 383.290 2.707 20 0 GFADRO OCC[C@@H](C[NH2+]Cc1sc(N2CCOCC2)nc1Cl)c1ccccc1 ZINC000894288882 663452504 /nfs/dbraw/zinc/45/25/04/663452504.db2.gz FNBHWCMTGAUTLM-HNNXBMFYSA-N 1 0 381.929 2.889 20 0 GFADRO C[C@H](C[NH2+]Cc1c(I)cnn1C)Oc1ccccc1F ZINC000894310082 663453743 /nfs/dbraw/zinc/45/37/43/663453743.db2.gz GRCZWAKKTFWGAM-SNVBAGLBSA-N 1 0 389.212 2.721 20 0 GFADRO Cc1cc(N2CC[C@H]([NH2+]Cc3cc4ccnc(Cl)c4s3)C2=O)n(C)n1 ZINC000894315888 663454024 /nfs/dbraw/zinc/45/40/24/663454024.db2.gz STXVVRRYMXXTNV-ZDUSSCGKSA-N 1 0 375.885 2.887 20 0 GFADRO C[C@@H](O)C[C@@H](C[NH2+]Cc1cn(C)nc1I)c1ccccc1 ZINC000894340788 663455984 /nfs/dbraw/zinc/45/59/84/663455984.db2.gz RBXPYOZININUNU-OCCSQVGLSA-N 1 0 399.276 2.669 20 0 GFADRO COC(=O)c1sccc1C[NH2+][C@@H]1CCCN(C(=O)CCC(F)(F)F)C1 ZINC000894443272 663461842 /nfs/dbraw/zinc/46/18/42/663461842.db2.gz DOYPSMDNLJGAHI-GFCCVEGCSA-N 1 0 378.416 2.958 20 0 GFADRO C[C@@H]([NH2+]CCc1c[nH]c2cccc(Br)c12)[C@@H]1CCS(=O)(=O)C1 ZINC000894534166 663467285 /nfs/dbraw/zinc/46/72/85/663467285.db2.gz LOCTWNCNVCDQOT-DGCLKSJQSA-N 1 0 385.327 2.886 20 0 GFADRO OC[C@H]([NH2+][C@H]1CCC2(C[C@H]1F)OCCO2)c1ccc(Br)c(F)c1 ZINC000894593906 663470444 /nfs/dbraw/zinc/47/04/44/663470444.db2.gz OOOJOGLGVSHUDO-ILXRZTDVSA-N 1 0 392.240 2.845 20 0 GFADRO C[NH+](C)CC1(O)CCN(c2ncc(Br)cc2C(F)(F)F)CC1 ZINC000894955421 663491363 /nfs/dbraw/zinc/49/13/63/663491363.db2.gz QETHXQVVQVEPFA-UHFFFAOYSA-N 1 0 382.224 2.756 20 0 GFADRO O=C(NCc1ccccc1)[C@H]1CC[N@@H+](Cc2ncc(Br)cc2O)C1 ZINC000895114899 663499915 /nfs/dbraw/zinc/49/99/15/663499915.db2.gz NYZVZXUPQSSZBS-AWEZNQCLSA-N 1 0 390.281 2.688 20 0 GFADRO Cn1ncc(I)c1C[NH2+]C[C@@H]1CCC2(CCCC2)O1 ZINC000895190496 663502473 /nfs/dbraw/zinc/50/24/73/663502473.db2.gz RQDKCHNSTORMPC-NSHDSACASA-N 1 0 375.254 2.606 20 0 GFADRO Cn1nc(Br)nc1C[NH2+]C[C@H]1CCN(c2ccccc2Cl)C1 ZINC000895225061 663503519 /nfs/dbraw/zinc/50/35/19/663503519.db2.gz GNCQLBUHLMVCPM-LLVKDONJSA-N 1 0 384.709 2.847 20 0 GFADRO Cn1cc(CNC[C@H]2CC[N@@H+]2C2CCCCC2)c(I)n1 ZINC000895391245 663511285 /nfs/dbraw/zinc/51/12/85/663511285.db2.gz VWGWANRBESJXTE-CQSZACIVSA-N 1 0 388.297 2.521 20 0 GFADRO Cn1ncc(I)c1C[NH2+]CCSCCC(F)(F)F ZINC000895458199 663515427 /nfs/dbraw/zinc/51/54/27/663515427.db2.gz MHGJRXADAXFLND-UHFFFAOYSA-N 1 0 393.216 2.800 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)c1nn2c(c1Br)CCC2)c1cccs1 ZINC000895465933 663516029 /nfs/dbraw/zinc/51/60/29/663516029.db2.gz VYRCUEIGICWQKE-LLVKDONJSA-N 1 0 383.315 2.686 20 0 GFADRO Cc1csc([C@@H]2CCN(Cc3cn(C)nc3I)C2)n1 ZINC000895472101 663516338 /nfs/dbraw/zinc/51/63/38/663516338.db2.gz FJQLRSUXRYEBSR-SNVBAGLBSA-N 1 0 388.278 2.779 20 0 GFADRO C[NH+](C)Cc1cccc(CNC(=O)c2nn3c(c2Br)CCC3)c1 ZINC000895609762 663520840 /nfs/dbraw/zinc/52/08/40/663520840.db2.gz PRVUSCGTAOUHMU-UHFFFAOYSA-N 1 0 377.286 2.583 20 0 GFADRO O=C1NCC2(CCOCC2)[C@H]1[NH2+]C1CC(c2ccc(Br)cc2)C1 ZINC000895768961 663527076 /nfs/dbraw/zinc/52/70/76/663527076.db2.gz MCEKIBYWEGDOPV-BCLQGDPASA-N 1 0 379.298 2.580 20 0 GFADRO OCCOCC1(O)CC[NH+](CC2=Cc3cc(Cl)cc(Cl)c3OC2)CC1 ZINC000895826996 663529269 /nfs/dbraw/zinc/52/92/69/663529269.db2.gz HCJAFWHHVILOFO-UHFFFAOYSA-N 1 0 388.291 2.605 20 0 GFADRO CC[NH+](CC)C[C@@H]1CCN(C(=O)NCc2ncc(Br)s2)C1 ZINC000896263531 663547646 /nfs/dbraw/zinc/54/76/46/663547646.db2.gz COQAFEUHHCTNFN-NSHDSACASA-N 1 0 375.336 2.779 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)c2cn(C)nc2Br)C1 ZINC000896351439 663552501 /nfs/dbraw/zinc/55/25/01/663552501.db2.gz MLYANFPWCPDXSJ-ZIAGYGMSSA-N 1 0 383.334 2.909 20 0 GFADRO C[C@H](NC(=O)CCc1nc2cc(Cl)ccc2s1)[C@@H]1C[N@H+](C)CCN1C ZINC000896560177 663564313 /nfs/dbraw/zinc/56/43/13/663564313.db2.gz MOXAJNNBLRTEKX-WFASDCNBSA-N 1 0 380.945 2.633 20 0 GFADRO C[C@@H](NC(=O)COc1cc(Cl)c(Cl)cc1Cl)[C@@H]1C[N@H+](C)CCN1C ZINC000896582755 663566387 /nfs/dbraw/zinc/56/63/87/663566387.db2.gz UAHSCFZBAPOBRW-YGRLFVJLSA-N 1 0 394.730 2.776 20 0 GFADRO C[NH+](C)CC[C@@H](NCc1cnn2cc(Br)cnc12)c1cccnc1 ZINC000896717732 663573609 /nfs/dbraw/zinc/57/36/09/663573609.db2.gz WOTQPCKAVOAWRV-MRXNPFEDSA-N 1 0 389.301 2.669 20 0 GFADRO Cc1c(NC(=O)C2C[NH+](C3CCOCC3)C2)cnc(Cl)c1Br ZINC000897389893 663604045 /nfs/dbraw/zinc/60/40/45/663604045.db2.gz QXZWMXITUSOWLM-UHFFFAOYSA-N 1 0 388.693 2.855 20 0 GFADRO CC(C)(C)N1CC[C@@H]1C(=O)NCc1noc(-c2cccc(Br)c2)n1 ZINC000897609404 663613389 /nfs/dbraw/zinc/61/33/89/663613389.db2.gz DNVKMIGKMVLTAB-CYBMUJFWSA-N 1 0 393.285 2.988 20 0 GFADRO Cc1ccc(-c2ncc(C[N@H+]3C[C@@H](C)[C@H](CS(N)(=O)=O)C3)s2)cc1C ZINC000897608360 663613513 /nfs/dbraw/zinc/61/35/13/663613513.db2.gz YVRXCXCJUPEWEB-ZBFHGGJFSA-N 1 0 379.551 2.783 20 0 GFADRO Cn1cc([C@@]2(C[NH2+]Cc3cc4c(c(Br)c3)OCO4)CCCO2)cn1 ZINC000898062746 663631834 /nfs/dbraw/zinc/63/18/34/663631834.db2.gz WOQCYHSBGRWMIY-KRWDZBQOSA-N 1 0 394.269 2.707 20 0 GFADRO Cc1c(F)c(Br)ccc1C(=O)N1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000898110371 663633807 /nfs/dbraw/zinc/63/38/07/663633807.db2.gz QHPBGBJKYOBIHA-UHFFFAOYSA-N 1 0 399.304 2.863 20 0 GFADRO O=C(CSCc1cccc(Cl)c1)N1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000898124539 663634860 /nfs/dbraw/zinc/63/48/60/663634860.db2.gz NZTNQNYBHUEDRJ-UHFFFAOYSA-N 1 0 382.957 2.926 20 0 GFADRO C[C@H](Cc1ccc(Br)c(F)c1)[NH2+][C@@H]1CCN(c2cc(=O)[nH]cn2)C1 ZINC000898156298 663636231 /nfs/dbraw/zinc/63/62/31/663636231.db2.gz CVYWGBVKQCVURY-DGCLKSJQSA-N 1 0 395.276 2.883 20 0 GFADRO C[NH+](C)CCN(Cc1ccsc1)C(=O)NCc1ncc(Br)cn1 ZINC000898385568 663646624 /nfs/dbraw/zinc/64/66/24/663646624.db2.gz DXGKHUAEQYJDIF-UHFFFAOYSA-N 1 0 398.330 2.574 20 0 GFADRO C[NH+](C)CCN(CC1CCCCC1)C(=O)NCc1ncc(Br)cn1 ZINC000898399458 663648337 /nfs/dbraw/zinc/64/83/37/663648337.db2.gz CENIUFHPDBRQLP-UHFFFAOYSA-N 1 0 398.349 2.893 20 0 GFADRO COC(=O)C1CC2(C1)C[C@H]([NH2+][C@H](C)CCCC(F)(F)F)CCS2(=O)=O ZINC000898488438 663652221 /nfs/dbraw/zinc/65/22/21/663652221.db2.gz STTCOALPHQWTMY-KLNSDEMFSA-N 1 0 385.448 2.596 20 0 GFADRO O=C(c1ccn(-c2ccc(Br)cc2)n1)N1CC([NH+]2CCCC2)C1 ZINC000898602980 663657606 /nfs/dbraw/zinc/65/76/06/663657606.db2.gz CFSZGSGBXNTQPV-UHFFFAOYSA-N 1 0 375.270 2.555 20 0 GFADRO O=C(c1cn(Cc2ccc(Cl)cc2Cl)nn1)N1CC([NH+]2CCCC2)C1 ZINC000898601152 663657615 /nfs/dbraw/zinc/65/76/15/663657615.db2.gz LKINJSJGTQROQF-UHFFFAOYSA-N 1 0 380.279 2.553 20 0 GFADRO O=C(c1cc(=O)[nH]c2ccc(Br)cc21)N1CC([NH+]2CCCC2)C1 ZINC000898608727 663657876 /nfs/dbraw/zinc/65/78/76/663657876.db2.gz CQYPJGRZHURLCK-UHFFFAOYSA-N 1 0 376.254 2.623 20 0 GFADRO O=C(NC1CC[NH+](C2CCOCC2)CC1)c1cc(Br)ccc1O ZINC000898628873 663658327 /nfs/dbraw/zinc/65/83/27/663658327.db2.gz YHFBTKHRGZRBGZ-UHFFFAOYSA-N 1 0 383.286 2.528 20 0 GFADRO C[C@@H]1C[C@@H](N(C)C(=O)C(=O)NCCc2ccc(Cl)c(Cl)c2)CC[N@@H+]1C ZINC000898660075 663659171 /nfs/dbraw/zinc/65/91/71/663659171.db2.gz OMNRSFCOMPWWAH-OCCSQVGLSA-N 1 0 386.323 2.593 20 0 GFADRO Brc1cnc2n1C[C@@H]([NH2+]Cc1cccnc1Br)CC2 ZINC000898719128 663659947 /nfs/dbraw/zinc/65/99/47/663659947.db2.gz BOYXCRHETSOGFV-JTQLQIEISA-N 1 0 386.091 2.908 20 0 GFADRO COC(=O)/C=C/c1ccc(C[NH2+][C@H]2CCc3ncc(Br)n3C2)o1 ZINC000898719080 663659993 /nfs/dbraw/zinc/65/99/93/663659993.db2.gz AOCHNGVJFXSAAC-ZRQQLDRUSA-N 1 0 380.242 2.529 20 0 GFADRO Cn1nc(C(F)(F)F)cc1C[NH2+][C@H]1CCc2ncc(Br)n2C1 ZINC000898719927 663660358 /nfs/dbraw/zinc/66/03/58/663660358.db2.gz ICPSPCCJFGJICD-QMMMGPOBSA-N 1 0 378.196 2.503 20 0 GFADRO COc1ccc(C[NH2+][C@@H]2CCc3ncc(Br)n3C2)c(F)c1OC ZINC000898720643 663660531 /nfs/dbraw/zinc/66/05/31/663660531.db2.gz MWJNKHZQKGWMGW-LLVKDONJSA-N 1 0 384.249 2.907 20 0 GFADRO CCOC(=O)c1[nH]c(C)c(C[NH2+][C@@H]2CCc3ncc(Br)n3C2)c1C ZINC000898720253 663660573 /nfs/dbraw/zinc/66/05/73/663660573.db2.gz KWGQPEJEXZLVMB-GFCCVEGCSA-N 1 0 395.301 2.872 20 0 GFADRO CC(C)N(C)c1ccc(C[NH2+][C@H]2CCc3ncc(Br)n3C2)cn1 ZINC000898725193 663661491 /nfs/dbraw/zinc/66/14/91/663661491.db2.gz RVOUKUHZFFEGRU-AWEZNQCLSA-N 1 0 378.318 2.990 20 0 GFADRO C[N@@H+]1CC[C@H](CC(=O)NCc2ccn(-c3ccc(Br)cc3)n2)C1 ZINC000899460293 663689109 /nfs/dbraw/zinc/68/91/09/663689109.db2.gz AANGSVLFVXDDMV-CYBMUJFWSA-N 1 0 377.286 2.593 20 0 GFADRO C[C@H](NC(=S)N1CCN(C)CC[N@H+](C)CC1)c1ccc(Br)cc1 ZINC000899654524 663697732 /nfs/dbraw/zinc/69/77/32/663697732.db2.gz UAGABEHAPYVGAO-AWEZNQCLSA-N 1 0 399.402 2.564 20 0 GFADRO Cc1sc(N2CCSCC2)nc1-c1cn(C[C@H]2CCCC[NH2+]C2)nn1 ZINC000899751657 663699911 /nfs/dbraw/zinc/69/99/11/663699911.db2.gz HXFBUFQBGZDHCV-AWEZNQCLSA-N 1 0 378.571 2.653 20 0 GFADRO O=C(NCc1cccc(Br)c1)C1CCC([NH+]2CCOCC2)CC1 ZINC000900125208 663708661 /nfs/dbraw/zinc/70/86/61/663708661.db2.gz VNNHUACDHDHELW-UHFFFAOYSA-N 1 0 381.314 2.956 20 0 GFADRO CC(C)[NH+]1CCN(CCC(=O)N[C@@H](C)Cc2ccc(Br)cc2)CC1 ZINC000900214890 663709944 /nfs/dbraw/zinc/70/99/44/663709944.db2.gz JKLJTAQBNJBWKB-INIZCTEOSA-N 1 0 396.373 2.912 20 0 GFADRO CC(C)[NH+]1CCN(CCC(=O)NCc2cc(F)ccc2Br)CC1 ZINC000900289023 663711708 /nfs/dbraw/zinc/71/17/08/663711708.db2.gz FMYMCYUQILXICP-UHFFFAOYSA-N 1 0 386.309 2.621 20 0 GFADRO C[C@@H](c1ccc(Br)cc1)n1cc(CNC2CC[NH+](C)CC2)nn1 ZINC000900543091 663716647 /nfs/dbraw/zinc/71/66/47/663716647.db2.gz QVDPOUMHGTYAJN-ZDUSSCGKSA-N 1 0 378.318 2.834 20 0 GFADRO O=C(NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccnc(Cl)c1Cl ZINC000900899694 663723602 /nfs/dbraw/zinc/72/36/02/663723602.db2.gz IARNGHCXULKVQJ-GOSISDBHSA-N 1 0 380.275 2.755 20 0 GFADRO C[N@@H+]1CCC[C@](O)(CC(=O)Nc2cc(Br)ccc2NC2CC2)C1 ZINC000900911800 663723665 /nfs/dbraw/zinc/72/36/65/663723665.db2.gz CRMHRNZOZNHBNC-KRWDZBQOSA-N 1 0 382.302 2.809 20 0 GFADRO CC[N@H+](C)[C@@H](C(=O)N[C@H]1CCc2ncc(Br)n2C1)c1ccccc1 ZINC000900926121 663725919 /nfs/dbraw/zinc/72/59/19/663725919.db2.gz HNAMOJXTHPEJKR-WMLDXEAASA-N 1 0 391.313 2.770 20 0 GFADRO C[N@@H+]1CCC[C@](O)(CC(=O)N(CCCO)Cc2ccc(Cl)c(Cl)c2)C1 ZINC000901127260 663730739 /nfs/dbraw/zinc/73/07/39/663730739.db2.gz LVYVGHWCISRENC-SFHVURJKSA-N 1 0 389.323 2.551 20 0 GFADRO CCn1c(Br)ncc1C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000901160478 663731370 /nfs/dbraw/zinc/73/13/70/663731370.db2.gz XCIQSNCATVFDPI-GXTWGEPZSA-N 1 0 381.318 2.754 20 0 GFADRO C[C@H]([NH2+][C@H]1CCc2ncc(Br)n2C1)C(=O)Nc1cccc(F)c1 ZINC000901728081 663743667 /nfs/dbraw/zinc/74/36/67/663743667.db2.gz JXBFYQIJRJNDPT-GWCFXTLKSA-N 1 0 381.249 2.716 20 0 GFADRO Cc1ccccc1CNC(=O)[C@H](C)[NH2+][C@H]1CCc2ncc(Br)n2C1 ZINC000901728119 663743789 /nfs/dbraw/zinc/74/37/89/663743789.db2.gz KXTYSOCSPXBJBM-ZFWWWQNUSA-N 1 0 391.313 2.563 20 0 GFADRO O=C(NC1CC1)[C@@H]([NH2+][C@@H]1CCc2ncc(Br)n2C1)c1ccccc1 ZINC000901729659 663743992 /nfs/dbraw/zinc/74/39/92/663743992.db2.gz SEFWABOIXBQLIM-PBHICJAKSA-N 1 0 389.297 2.570 20 0 GFADRO CC[NH+]1CCC(NC(=O)COc2cc(Br)cc(F)c2F)CC1 ZINC000902369684 663760334 /nfs/dbraw/zinc/76/03/34/663760334.db2.gz MVCSRETVXZIDQL-UHFFFAOYSA-N 1 0 377.229 2.707 20 0 GFADRO CC1(C)C[NH2+]CC[C@@H](NCc2cc(C(F)(F)F)cc(S(C)(=O)=O)c2)C1 ZINC000902385389 663760607 /nfs/dbraw/zinc/76/06/07/663760607.db2.gz TXGHWOSBYQKGSO-CQSZACIVSA-N 1 0 378.460 2.977 20 0 GFADRO CC(C)[N@@H+]1CCC[C@H]1C(=O)Nc1cc(Br)ccc1-n1cncn1 ZINC000903013302 663771196 /nfs/dbraw/zinc/77/11/96/663771196.db2.gz DJTHAOIWWZHYFY-HNNXBMFYSA-N 1 0 378.274 2.841 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CC[NH2+][C@H]1CCO[C@]12CCOC2 ZINC000903119475 663774588 /nfs/dbraw/zinc/77/45/88/663774588.db2.gz KVSRTQTWIZAVGV-RDJZCZTQSA-N 1 0 383.286 2.624 20 0 GFADRO CO[C@@H]1COCC[C@H]1C[NH2+][C@H](C)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000903179825 663777244 /nfs/dbraw/zinc/77/72/44/663777244.db2.gz UFFIAWOGDMRKCS-OSAQELSMSA-N 1 0 381.416 2.682 20 0 GFADRO C[C@@H]([NH2+]CCC[C@@H]1CCOC1=O)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000903216605 663778846 /nfs/dbraw/zinc/77/88/46/663778846.db2.gz FBCCPAHKKLDWJK-VXGBXAGGSA-N 1 0 379.400 2.974 20 0 GFADRO CS(C)(=O)=NS(=O)(=O)CC[NH2+][C@@H]1CCC[C@H]1Cc1ccc(Cl)cc1 ZINC000903227552 663779239 /nfs/dbraw/zinc/77/92/39/663779239.db2.gz UCBHCUNNZKVBTN-GOEBONIOSA-N 1 0 392.974 2.698 20 0 GFADRO CS(C)(=O)=NS(=O)(=O)CC[NH2+][C@H]1CCC[C@@H]1Cc1ccc(Cl)cc1 ZINC000903227554 663779330 /nfs/dbraw/zinc/77/93/30/663779330.db2.gz UCBHCUNNZKVBTN-ZBFHGGJFSA-N 1 0 392.974 2.698 20 0 GFADRO CS(C)(=O)=NS(=O)(=O)CC[NH2+][C@H]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000903228215 663779418 /nfs/dbraw/zinc/77/94/18/663779418.db2.gz XDTPUARWSNTUNG-HIFRSBDPSA-N 1 0 378.947 2.623 20 0 GFADRO COc1ccc2c(c1)[C@@H]([NH2+][C@H]1Cc3cc(Br)cnc3NC1=O)CC2 ZINC000903326900 663782168 /nfs/dbraw/zinc/78/21/68/663782168.db2.gz VTLVITPCNFDYQZ-HOTGVXAUSA-N 1 0 388.265 2.993 20 0 GFADRO CO[C@]1(C[NH2+][C@@H]2CCCc3c4cc(Cl)ccc4[nH]c32)CCS(=O)(=O)C1 ZINC000903362326 663782530 /nfs/dbraw/zinc/78/25/30/663782530.db2.gz DNEYMILGYROIFE-AEFFLSMTSA-N 1 0 382.913 2.992 20 0 GFADRO CO[C@]1(C[NH2+][C@@H](C)CCCOc2ccc(Cl)c(C)c2)CCS(=O)(=O)C1 ZINC000903364454 663782837 /nfs/dbraw/zinc/78/28/37/663782837.db2.gz WSUAWXDKCDKPMS-YJBOKZPZSA-N 1 0 389.945 2.989 20 0 GFADRO CO[C@@]1(C[NH2+][C@H](c2cccc(C(F)(F)F)c2)C2CC2)CCS(=O)(=O)C1 ZINC000903364844 663782874 /nfs/dbraw/zinc/78/28/74/663782874.db2.gz CMXWRDVERJKXMR-JKSUJKDBSA-N 1 0 377.428 2.950 20 0 GFADRO C[C@@H]([NH2+][C@@H]1CCOC12CCOCC2)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000903386329 663783612 /nfs/dbraw/zinc/78/36/12/663783612.db2.gz AWZYIETYTJXUFX-IUODEOHRSA-N 1 0 375.437 2.672 20 0 GFADRO COC(=O)c1csc([C@@H](C)[NH2+]Cc2cccc(N(C)S(C)(=O)=O)c2)c1 ZINC000903424391 663784418 /nfs/dbraw/zinc/78/44/18/663784418.db2.gz UEKLRJITRLNKSM-GFCCVEGCSA-N 1 0 382.507 2.781 20 0 GFADRO CC1([NH3+])CCN(S(=O)(=O)Cc2cccc(Cl)c2Br)CC1 ZINC000903517035 663786767 /nfs/dbraw/zinc/78/67/67/663786767.db2.gz DBENVKLILNCSAT-UHFFFAOYSA-N 1 0 381.723 2.746 20 0 GFADRO O=S(=O)(Cc1cccc(Cl)c1Br)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000903521938 663786951 /nfs/dbraw/zinc/78/69/51/663786951.db2.gz IPJNJGZJWKZMBR-CQSZACIVSA-N 1 0 393.734 2.760 20 0 GFADRO CC(C)(C[NH3+])C1CCN(S(=O)(=O)c2cc(F)ccc2OC(F)F)CC1 ZINC000903523338 663787270 /nfs/dbraw/zinc/78/72/70/663787270.db2.gz UHQOCXDOCVNFMD-UHFFFAOYSA-N 1 0 380.432 2.813 20 0 GFADRO Cc1cc(Br)c(S(=O)(=O)N2CCC[C@@H]3CC[C@]32C[NH3+])s1 ZINC000903536344 663787776 /nfs/dbraw/zinc/78/77/76/663787776.db2.gz BIKONFIGILJLPN-MFKMUULPSA-N 1 0 379.345 2.711 20 0 GFADRO O=S(=O)(Cc1c(Cl)cccc1Cl)N[C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903545225 663788065 /nfs/dbraw/zinc/78/80/65/663788065.db2.gz FKNUJMNFXPBQQO-GFCCVEGCSA-N 1 0 393.336 2.572 20 0 GFADRO [NH3+][C@@H]1CN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)C[C@H]1C(F)(F)F ZINC000903570505 663789032 /nfs/dbraw/zinc/78/90/32/663789032.db2.gz MJJKVXWLOTUYKX-LDYMZIIASA-N 1 0 377.215 2.645 20 0 GFADRO O=S(=O)(N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1cccc(Cl)c1 ZINC000903573471 663789431 /nfs/dbraw/zinc/78/94/31/663789431.db2.gz IVCGMWNVIHJDKC-SJLPKXTDSA-N 1 0 378.881 2.874 20 0 GFADRO O=S(=O)(N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc(Cl)s1 ZINC000903574289 663789585 /nfs/dbraw/zinc/78/95/85/663789585.db2.gz PGYCXYHNLVBLFH-MLGOLLRUSA-N 1 0 384.910 2.936 20 0 GFADRO C[NH2+]C[C@@H]1CCCCN1S(=O)(=O)c1c(OC)ccc2nc(Cl)ccc21 ZINC000903577237 663789774 /nfs/dbraw/zinc/78/97/74/663789774.db2.gz HGFUERGTVPFCPF-LBPRGKRZSA-N 1 0 383.901 2.659 20 0 GFADRO [NH3+][C@H]1CN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC[C@@H]1C(F)(F)F ZINC000903577432 663789811 /nfs/dbraw/zinc/78/98/11/663789811.db2.gz KQORPMPJPFWZNZ-QWRGUYRKSA-N 1 0 376.322 2.606 20 0 GFADRO [NH3+]C[C@@H]1Cc2cc(F)ccc2N(S(=O)(=O)C[C@@H]2CCCCC2(F)F)C1 ZINC000903589107 663790851 /nfs/dbraw/zinc/79/08/51/663790851.db2.gz SXGBTONQSXQEET-JSGCOSHPSA-N 1 0 376.444 2.918 20 0 GFADRO O=S(=O)(c1ccc(C(F)(F)C(F)(F)F)cc1)N1CCC[C@@]12CC[NH2+]C2 ZINC000903592074 663791108 /nfs/dbraw/zinc/79/11/08/663791108.db2.gz KXGNEGVYHJZYLH-ZDUSSCGKSA-N 1 0 384.370 2.857 20 0 GFADRO C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)C(=O)N1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903720814 663804936 /nfs/dbraw/zinc/80/49/36/663804936.db2.gz TYMDYPBNBHRLAY-JHJVBQTASA-N 1 0 386.323 2.956 20 0 GFADRO Brc1ccccc1[C@@H]1CN(C[C@H]2C[C@]3(CC[NH2+]C3)CO2)CCO1 ZINC000903727109 663805102 /nfs/dbraw/zinc/80/51/02/663805102.db2.gz QJIXOFHMVBFGDH-JLSDUUJJSA-N 1 0 381.314 2.591 20 0 GFADRO C[N@@H+]1CC[C@H](Cc2nc(Cc3cc(Br)c4c(c3)OCCO4)no2)C1 ZINC000903991498 663815984 /nfs/dbraw/zinc/81/59/84/663815984.db2.gz IJPSVBURLLNNND-LLVKDONJSA-N 1 0 394.269 2.688 20 0 GFADRO COc1ccc(Cc2noc(CC3CC([NH3+])C3)n2)c(Br)c1OC ZINC000904102924 663824154 /nfs/dbraw/zinc/82/41/54/663824154.db2.gz HWGATFOKKNHVIW-UHFFFAOYSA-N 1 0 382.258 2.720 20 0 GFADRO [NH3+]C[C@]12CC[C@H]1CCN2C(=O)Nc1ccc(F)cc1I ZINC000904365004 663831256 /nfs/dbraw/zinc/83/12/56/663831256.db2.gz VGNVYAVYIUQSIG-LKFCYVNXSA-N 1 0 389.212 2.775 20 0 GFADRO COCC[C@@H]1C[NH2+]CCN1C(=O)Nc1c(F)cc(Br)cc1F ZINC000904354962 663831306 /nfs/dbraw/zinc/83/13/06/663831306.db2.gz ICDRBICLALJBTQ-SNVBAGLBSA-N 1 0 378.217 2.570 20 0 GFADRO CC1(C)C[NH2+]C[C@H]1NC(=O)Nc1cccc(F)c1I ZINC000904394128 663832518 /nfs/dbraw/zinc/83/25/18/663832518.db2.gz PDCCTHBAUZALNC-SNVBAGLBSA-N 1 0 377.201 2.550 20 0 GFADRO COC(=O)c1c(C)c(NC(=O)N2CC[C@H]3CC[C@]32C[NH3+])ccc1Br ZINC000904442502 663834596 /nfs/dbraw/zinc/83/45/96/663834596.db2.gz DGEXFUJRQSNSJB-DIFFPNOSSA-N 1 0 396.285 2.889 20 0 GFADRO O=C1Nc2c(cccc2Br)[C@@H]1Cc1nc(C2CC[NH2+]CC2)no1 ZINC000904494179 663836303 /nfs/dbraw/zinc/83/63/03/663836303.db2.gz IJPTWPZYKDNHLQ-NSHDSACASA-N 1 0 377.242 2.578 20 0 GFADRO O=C(Nc1ccc(I)cc1F)N1CCC[C@@]12CC[NH2+]C2 ZINC000904520769 663836587 /nfs/dbraw/zinc/83/65/87/663836587.db2.gz JLIIEKMMWKEACF-AWEZNQCLSA-N 1 0 389.212 2.790 20 0 GFADRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)Nc1ccc(OCCOC)c(Br)c1 ZINC000904547101 663837246 /nfs/dbraw/zinc/83/72/46/663837246.db2.gz BHCPLNGVCCRRJZ-UONOGXRCSA-N 1 0 386.290 2.736 20 0 GFADRO COCCOc1ccc(NC(=O)N[C@@H]2CC[NH2+]C23CCC3)cc1Br ZINC000904547154 663837265 /nfs/dbraw/zinc/83/72/65/663837265.db2.gz CJCOXLCYZIDAHV-OAHLLOKOSA-N 1 0 398.301 2.880 20 0 GFADRO COCCOc1ccc(NC(=O)NCCC2=CC[NH2+]CC2)cc1Br ZINC000904551450 663837985 /nfs/dbraw/zinc/83/79/85/663837985.db2.gz LRCKAASUWSJHKR-UHFFFAOYSA-N 1 0 398.301 2.906 20 0 GFADRO CON1CC[C@@H]([NH2+][C@H](Cc2ccccn2)c2ccc(Br)cc2)C1=O ZINC000905004478 663849278 /nfs/dbraw/zinc/84/92/78/663849278.db2.gz MGZXIFBLYBZVID-IAGOWNOFSA-N 1 0 390.281 2.880 20 0 GFADRO CSCCC[NH2+]C[C@@H](O)c1ccc2c(c1)CN(C(=O)C(F)(F)F)CC2 ZINC000905126312 663854123 /nfs/dbraw/zinc/85/41/23/663854123.db2.gz DYAMBWZIXFYHQW-OAHLLOKOSA-N 1 0 376.444 2.510 20 0 GFADRO O[C@H](C[NH2+]CCOc1c(Cl)cc(Cl)cc1Cl)C[C@@]1(O)CCOC1 ZINC000905151418 663855571 /nfs/dbraw/zinc/85/55/71/663855571.db2.gz ASKSOBKCNRWNQP-NHYWBVRUSA-N 1 0 384.687 2.518 20 0 GFADRO CS[C@@H](C)C[NH2+]C[C@H](O)c1ccc2c(c1)CN(C(=O)C(F)(F)F)CC2 ZINC000905182064 663856956 /nfs/dbraw/zinc/85/69/56/663856956.db2.gz VMLGUHJWLXCUPQ-NHYWBVRUSA-N 1 0 376.444 2.508 20 0 GFADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C[C@H](O)C(Cl)(Cl)Cl ZINC000905218891 663859948 /nfs/dbraw/zinc/85/99/48/663859948.db2.gz DCNUDMSYPUXGSV-AWEZNQCLSA-N 1 0 394.730 2.807 20 0 GFADRO Cn1c(SCc2nc(CC3CC[NH2+]CC3)no2)nnc1-c1cccs1 ZINC000905316217 663865548 /nfs/dbraw/zinc/86/55/48/663865548.db2.gz KZGIZILCSVFHJW-UHFFFAOYSA-N 1 0 376.511 2.761 20 0 GFADRO O[C@@H](C[NH2+]C[C@H]1CCC2(CCOCC2)[C@H]1O)c1ccc(Br)cc1 ZINC000905369883 663867901 /nfs/dbraw/zinc/86/79/01/663867901.db2.gz DGPQKDBKRVYUAH-PVAVHDDUSA-N 1 0 384.314 2.640 20 0 GFADRO CC(C)OCC[C@@H](O)C[NH2+]Cc1ccn(-c2ccc(Br)cc2)n1 ZINC000905480268 663873504 /nfs/dbraw/zinc/87/35/04/663873504.db2.gz XRKPORBCDBOFAN-QGZVFWFLSA-N 1 0 382.302 2.900 20 0 GFADRO CS(=O)(=O)C1CCC(C[NH2+]C[C@@H](O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000905509186 663874642 /nfs/dbraw/zinc/87/46/42/663874642.db2.gz NOWOHQIXVZUOAQ-VDSRIPIWSA-N 1 0 379.444 2.932 20 0 GFADRO O[C@H](C[NH2+]Cc1cc(Br)c2ccccc2c1)C[C@@]1(O)CCOC1 ZINC000905517774 663875719 /nfs/dbraw/zinc/87/57/19/663875719.db2.gz VOYKIQSNLKIMIE-YJBOKZPZSA-N 1 0 380.282 2.594 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CNC(=S)N1CCC[C@@H]1c1ncc(Br)cn1 ZINC000905644166 663883166 /nfs/dbraw/zinc/88/31/66/663883166.db2.gz JUQDGHCERSCYDN-ZIAGYGMSSA-N 1 0 398.374 2.735 20 0 GFADRO C[C@@]1([C@@H]2CCCN(Cn3ncc(Br)c3C3CC3)C2)COC(=O)N1 ZINC000905700658 663887611 /nfs/dbraw/zinc/88/76/11/663887611.db2.gz JDPPJKCTPROGTM-WBMJQRKESA-N 1 0 383.290 2.691 20 0 GFADRO [NH3+]C1CCN(Cc2cn(Cc3ccc(Br)c(Cl)c3)nn2)CC1 ZINC000905803261 663892978 /nfs/dbraw/zinc/89/29/78/663892978.db2.gz DCIGWRYYWMYWEW-UHFFFAOYSA-N 1 0 384.709 2.665 20 0 GFADRO O[C@@H](C[NH2+]C[C@@]1(N2CCOCC2)CCSC1)c1ccc(Cl)c(Cl)c1 ZINC000905917452 663900981 /nfs/dbraw/zinc/90/09/81/663900981.db2.gz CLTYTNOXACUMMK-IRXDYDNUSA-N 1 0 391.364 2.824 20 0 GFADRO C[C@H]1CN(C(=O)COC2CC[NH+](C)CC2)c2ccc(Br)cc2O1 ZINC000906051298 663914045 /nfs/dbraw/zinc/91/40/45/663914045.db2.gz IHJIALNYGRTIRO-LBPRGKRZSA-N 1 0 383.286 2.674 20 0 GFADRO C[NH+](C)C[C@@H]1COC2(CCCC2)CN1C(=O)c1cnc(Br)s1 ZINC000906058075 663915775 /nfs/dbraw/zinc/91/57/75/663915775.db2.gz QYXAIDXSMYARAH-LLVKDONJSA-N 1 0 388.331 2.621 20 0 GFADRO CC[S@@](C)(=O)=NS(=O)(=O)Nc1ccc(C[NH+](C)C)c(C(F)(F)F)c1 ZINC000906073264 663921841 /nfs/dbraw/zinc/92/18/41/663921841.db2.gz QDSMJJUMUQWURZ-HSZRJFAPSA-N 1 0 387.449 2.541 20 0 GFADRO Cc1cc(Br)c(CC(=O)NCCCC[NH+]2CCOCC2)s1 ZINC000906214887 663932097 /nfs/dbraw/zinc/93/20/97/663932097.db2.gz IFUQRRLNZJLKSB-UHFFFAOYSA-N 1 0 375.332 2.590 20 0 GFADRO CC[NH+]1CCC(CNC(=O)C(F)(F)c2ncccc2Br)CC1 ZINC000906393531 663944569 /nfs/dbraw/zinc/94/45/69/663944569.db2.gz ISXVUTURLFBISM-UHFFFAOYSA-N 1 0 376.245 2.784 20 0 GFADRO COCC[NH+]1CCC(NC(=O)Cc2cc(Br)ccc2Cl)CC1 ZINC000906416669 663946466 /nfs/dbraw/zinc/94/64/66/663946466.db2.gz RDFKHGFMCFXJPP-UHFFFAOYSA-N 1 0 389.721 2.872 20 0 GFADRO C[N@H+](CCNC(=O)c1cc(Br)cn(C2CC2)c1=O)C1CCCC1 ZINC000906581051 663959563 /nfs/dbraw/zinc/95/95/63/663959563.db2.gz JARQZBLIFCXEOK-UHFFFAOYSA-N 1 0 382.302 2.550 20 0 GFADRO CC(C)[N@H+](C)CCNC(=O)c1ccc(Cn2cc(Br)cn2)s1 ZINC000906682662 663964786 /nfs/dbraw/zinc/96/47/86/663964786.db2.gz QNIBKJCKHSZDEK-UHFFFAOYSA-N 1 0 385.331 2.825 20 0 GFADRO Cc1csc(Sc2ccc(NC(=O)C(=O)NCC3([NH3+])CC3)cc2Cl)n1 ZINC000906698446 663965903 /nfs/dbraw/zinc/96/59/03/663965903.db2.gz YZXXHLAFUSCQLW-UHFFFAOYSA-N 1 0 396.925 2.802 20 0 GFADRO [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(=O)Nc1ccc(C(F)(F)F)cc1Cl)C2 ZINC000906754623 663968742 /nfs/dbraw/zinc/96/87/42/663968742.db2.gz DZMBBLQWTXVJQH-LSJOCFKGSA-N 1 0 375.778 2.636 20 0 GFADRO O=C(Nc1ccc(C(F)(F)F)cc1Cl)C(=O)N1CCC[C@@]12CC[NH2+]C2 ZINC000906766507 663969580 /nfs/dbraw/zinc/96/95/80/663969580.db2.gz RCLSNRXSSPRVIQ-HNNXBMFYSA-N 1 0 375.778 2.652 20 0 GFADRO O=S(=O)(NC1CC[NH+](C2CC2)CC1)c1c[nH]c2cc(Br)ccc21 ZINC000906818266 663973493 /nfs/dbraw/zinc/97/34/93/663973493.db2.gz IWGFYDPSDIEXPS-UHFFFAOYSA-N 1 0 398.326 2.836 20 0 GFADRO O=S(=O)(NC1CC[NH+](C2CC2)CC1)c1c[nH]c2c1cccc2Br ZINC000906819485 663973590 /nfs/dbraw/zinc/97/35/90/663973590.db2.gz SODKGNWVKASZQF-UHFFFAOYSA-N 1 0 398.326 2.836 20 0 GFADRO CN(CCN(C)S(=O)(=O)c1cc2ccccc2s1)C1CC[NH+](C)CC1 ZINC000906852915 663976530 /nfs/dbraw/zinc/97/65/30/663976530.db2.gz LYDUYFQZDMIJDU-UHFFFAOYSA-N 1 0 381.567 2.548 20 0 GFADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cccn2ncc(Br)c12 ZINC000906927070 663982737 /nfs/dbraw/zinc/98/27/37/663982737.db2.gz GVBZYRLAOVDTOW-OLZOCXBDSA-N 1 0 377.286 2.796 20 0 GFADRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)c1cccn2ncc(Br)c12 ZINC000907171302 664008788 /nfs/dbraw/zinc/00/87/88/664008788.db2.gz PJMJTLBZEREFEX-LBPRGKRZSA-N 1 0 379.302 2.899 20 0 GFADRO O=S(=O)(/C=C\c1ccccc1Cl)NC1CC[NH+](C2CCOCC2)CC1 ZINC000907330062 664024230 /nfs/dbraw/zinc/02/42/30/664024230.db2.gz RBUNKALFIMXQCY-ZROIWOOFSA-N 1 0 384.929 2.874 20 0 GFADRO C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)N1CCC(c2ccccc2Br)CC1 ZINC000907626182 664048869 /nfs/dbraw/zinc/04/88/69/664048869.db2.gz MCBJQLHBMNYLRJ-KDOFPFPSSA-N 1 0 381.314 2.610 20 0 GFADRO CCCN(CCC[NH+](C)C)C(=O)c1nscc1I ZINC000907657525 664051186 /nfs/dbraw/zinc/05/11/86/664051186.db2.gz LOGOSCILKDAOCR-UHFFFAOYSA-N 1 0 381.283 2.552 20 0 GFADRO CC(C)[NH+]1CCN(CCC(=O)N2CCc3cc(Br)ccc3C2)CC1 ZINC000907687999 664053571 /nfs/dbraw/zinc/05/35/71/664053571.db2.gz HDFCLDFZUOEWPE-UHFFFAOYSA-N 1 0 394.357 2.750 20 0 GFADRO CC(C)[NH+]1CCN(CCCC(=O)N2CC[C@]3(C)[C@H](C2)C3(Cl)Cl)CC1 ZINC000908073946 664081305 /nfs/dbraw/zinc/08/13/05/664081305.db2.gz XISDQEJEFBUCKO-DOTOQJQBSA-N 1 0 376.372 2.835 20 0 GFADRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1cccn2ncc(Br)c12 ZINC000908190081 664090701 /nfs/dbraw/zinc/09/07/01/664090701.db2.gz NWWOPNKAFGWMKW-SWLSCSKDSA-N 1 0 377.286 2.796 20 0 GFADRO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)c2ccc(Cn3cc(Br)cn3)s2)C1 ZINC000908345256 664100836 /nfs/dbraw/zinc/10/08/36/664100836.db2.gz AELGMCPRXFICEY-FZMZJTMJSA-N 1 0 395.326 2.532 20 0 GFADRO C[NH+](C)CCn1nccc1NC(=O)Cc1c[nH]c2ccc(Br)cc12 ZINC000908442495 664106620 /nfs/dbraw/zinc/10/66/20/664106620.db2.gz NGBHPXFCRDTVNK-UHFFFAOYSA-N 1 0 390.285 2.870 20 0 GFADRO O=C(NCCCS(=O)(=O)c1ccc(Cl)cc1)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC000908456539 664108377 /nfs/dbraw/zinc/10/83/77/664108377.db2.gz GQMBBMZNHBEIEJ-RDJZCZTQSA-N 1 0 384.929 2.637 20 0 GFADRO CC(C)[NH2+]C1(CO)CCN(C(=O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000908590032 664115677 /nfs/dbraw/zinc/11/56/77/664115677.db2.gz CXDDATFFSLDADE-UHFFFAOYSA-N 1 0 375.296 2.724 20 0 GFADRO CC(C)[NH2+]C1(CO)CCN(C(=O)C2(c3cccc(Br)c3)CC2)CC1 ZINC000908591410 664115823 /nfs/dbraw/zinc/11/58/23/664115823.db2.gz VIWQKHUMKDVAGW-UHFFFAOYSA-N 1 0 395.341 2.832 20 0 GFADRO CC(C)[NH2+]C1(CO)CCN(C(=O)CCc2cc(Br)cs2)CC1 ZINC000908593079 664116015 /nfs/dbraw/zinc/11/60/15/664116015.db2.gz SWZDMMFCXDHKCL-UHFFFAOYSA-N 1 0 389.359 2.795 20 0 GFADRO CC(C)[NH+]1CCN(CCC(=O)NC/C=C\c2ccc(Br)cc2)CC1 ZINC000908674407 664121122 /nfs/dbraw/zinc/12/11/22/664121122.db2.gz OFIHKHXLKNKHHH-ARJAWSKDSA-N 1 0 394.357 2.995 20 0 GFADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)Nc2cccc(O)c2Br)cn1 ZINC000908710627 664122563 /nfs/dbraw/zinc/12/25/63/664122563.db2.gz MIXXTVLOMPMLEN-STQMWFEESA-N 1 0 393.285 2.562 20 0 GFADRO O=C(CNC(=O)c1c(Cl)cc(Cl)cc1Cl)NCC[NH+]1CCCCC1 ZINC000909314528 664152244 /nfs/dbraw/zinc/15/22/44/664152244.db2.gz GBZQRXWLIGGSCD-UHFFFAOYSA-N 1 0 392.714 2.979 20 0 GFADRO CC(C)[N@H+](CCO)CC1CCN(C(=O)c2sccc2OC(F)F)CC1 ZINC000910861965 664230210 /nfs/dbraw/zinc/23/02/10/664230210.db2.gz VRIWANMNZGRKPG-UHFFFAOYSA-N 1 0 376.469 2.904 20 0 GFADRO Cc1cc(C(=O)N2CCCC[C@@H]2C[NH3+])nn1-c1ccccc1Br ZINC000911718451 664254023 /nfs/dbraw/zinc/25/40/23/664254023.db2.gz AWYVAWQVEWJDSX-CYBMUJFWSA-N 1 0 377.286 2.897 20 0 GFADRO C[C@H](NC(=O)c1cc(Br)cnc1Br)[C@H]1CCC[NH2+]C1 ZINC000911727177 664254515 /nfs/dbraw/zinc/25/45/15/664254515.db2.gz XGXPANZSNIHCEY-IUCAKERBSA-N 1 0 391.107 2.725 20 0 GFADRO Cc1cc(I)ccc1NC(=O)c1cc2n(n1)CCC[C@H]2[NH3+] ZINC000911920162 664261963 /nfs/dbraw/zinc/26/19/63/664261963.db2.gz VRDPMDGHKKLCBS-LLVKDONJSA-N 1 0 396.232 2.842 20 0 GFADRO C[C@@H]([NH3+])C1(C(=O)Nc2nnc(SCc3ccccc3)s2)CCOCC1 ZINC000911971221 664264110 /nfs/dbraw/zinc/26/41/10/664264110.db2.gz LEBQAKBFIYKKIU-GFCCVEGCSA-N 1 0 378.523 2.913 20 0 GFADRO Cc1cc(C)n(CCCNC(=O)C[C@@H]([NH3+])Cc2ccc(Br)cc2)n1 ZINC000912002789 664265543 /nfs/dbraw/zinc/26/55/43/664265543.db2.gz UIVQOOUQSXQOBW-KRWDZBQOSA-N 1 0 393.329 2.729 20 0 GFADRO O=C(NCc1cc(F)ccc1Br)[C@@H]1CC[NH2+][C@@H]([C@H]2CCCO2)C1 ZINC000912269507 664279113 /nfs/dbraw/zinc/27/91/13/664279113.db2.gz FTMVOWDUEADVLO-HFBAOOFYSA-N 1 0 385.277 2.752 20 0 GFADRO COc1cc(/C=C\C(=O)N[C@]2(C)C[NH+]3CCC2CC3)cc(Br)c1O ZINC000912378867 664284261 /nfs/dbraw/zinc/28/42/61/664284261.db2.gz KXRUXDTZRLHTFR-DDKKJVIOSA-N 1 0 395.297 2.777 20 0 GFADRO C[C@@H]1C[NH2+]C[C@H]1CC(=O)N1CCN(C(=O)c2cccc(Cl)c2Cl)CC1 ZINC000912380985 664284266 /nfs/dbraw/zinc/28/42/66/664284266.db2.gz MMAVHDBVTYCQRZ-CHWSQXEVSA-N 1 0 384.307 2.523 20 0 GFADRO C[NH+](C)CCn1cc(C(=O)Nc2cccc(-c3nnsc3Cl)c2)cn1 ZINC000912482504 664289537 /nfs/dbraw/zinc/28/95/37/664289537.db2.gz CYLSGINHCPEXDJ-UHFFFAOYSA-N 1 0 376.873 2.869 20 0 GFADRO COc1ccc(Br)cc1OC(=O)CCN1CC[NH+](C(C)C)CC1 ZINC000912828787 664303587 /nfs/dbraw/zinc/30/35/87/664303587.db2.gz ANQKSZRCTHFITB-UHFFFAOYSA-N 1 0 385.302 2.779 20 0 GFADRO O=C(c1cnc2ccc(Br)cc2c1O)N1CCC([NH+]2CCC2)CC1 ZINC000912878277 664307062 /nfs/dbraw/zinc/30/70/62/664307062.db2.gz PXRWBOMCGJPUSK-UHFFFAOYSA-N 1 0 390.281 2.601 20 0 GFADRO COc1ccc(Br)c2[nH]c(C(=O)N3CC[C@H]([NH+]4CCC4)C3)cc21 ZINC000912921518 664310610 /nfs/dbraw/zinc/31/06/10/664310610.db2.gz FDHHDXZUOJPGGF-NSHDSACASA-N 1 0 378.270 2.859 20 0 GFADRO CCc1sc(C(=O)N2CCC(O)(C[NH+](C)C)CC2)cc1Br ZINC000913676936 664348917 /nfs/dbraw/zinc/34/89/17/664348917.db2.gz SLQJDKQOYQVMLH-UHFFFAOYSA-N 1 0 375.332 2.602 20 0 GFADRO C[NH+](C)CC1(O)CCN(C(=O)[C@H]2C[C@]2(C)c2cccc(Br)c2)CC1 ZINC000913683890 664349827 /nfs/dbraw/zinc/34/98/27/664349827.db2.gz WVSWJQARBDLORX-SJLPKXTDSA-N 1 0 395.341 2.642 20 0 GFADRO C[NH+](C)CC1(O)CCN(C(=O)Cc2ccc(Br)cc2Cl)CC1 ZINC000913683564 664350071 /nfs/dbraw/zinc/35/00/71/664350071.db2.gz IIICXOODIKTGRK-UHFFFAOYSA-N 1 0 389.721 2.560 20 0 GFADRO C[NH+]1CCC(NC(=O)N2CCCC[C@@H]2c2ncc(Br)cn2)CC1 ZINC000913880859 664363152 /nfs/dbraw/zinc/36/31/52/664363152.db2.gz CRDAWGBLYVNYGV-CQSZACIVSA-N 1 0 382.306 2.570 20 0 GFADRO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)NCc2cnc(Br)cn2)C1 ZINC000914102688 664376782 /nfs/dbraw/zinc/37/67/82/664376782.db2.gz ZBXFZFXCDFRXQR-KBPBESRZSA-N 1 0 398.349 2.796 20 0 GFADRO CCC[N@@H+]1CC[C@@H](CNC(=O)N2CCC[C@H]2c2ncc(Br)cn2)C1 ZINC000914337932 664400925 /nfs/dbraw/zinc/40/09/25/664400925.db2.gz RKULFCAJCOLUNV-ZFWWWQNUSA-N 1 0 396.333 2.818 20 0 GFADRO Cc1ccc([C@@H](CNC(=O)NCc2cn(C)nc2Br)[NH+](C)C)cc1 ZINC000915073650 664420502 /nfs/dbraw/zinc/42/05/02/664420502.db2.gz XATOLCPDNOIICA-OAHLLOKOSA-N 1 0 394.317 2.593 20 0 GFADRO COc1ccc([C@@H](O)C[NH2+]C[C@@H](O)COc2cccc(Br)c2)cc1 ZINC000915227372 664424611 /nfs/dbraw/zinc/42/46/11/664424611.db2.gz SXGJBMKVDQZPTH-QAPCUYQASA-N 1 0 396.281 2.521 20 0 GFADRO C[C@@H]1CN(C(=O)Cc2cccnc2Br)CCN1c1cc[nH+]cc1 ZINC000915266434 664425830 /nfs/dbraw/zinc/42/58/30/664425830.db2.gz GLPAXRXUELWGDV-CYBMUJFWSA-N 1 0 375.270 2.519 20 0 GFADRO CC[NH+]1CCN([C@H](C)CNC(=O)/C=C/c2ccc(C)cc2Br)CC1 ZINC000915630470 664436039 /nfs/dbraw/zinc/43/60/39/664436039.db2.gz PSABLGXAWIBIJN-KXPUMZMLSA-N 1 0 394.357 2.913 20 0 GFADRO O=C(/C=C\c1ccc(I)o1)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000915746890 664439686 /nfs/dbraw/zinc/43/96/86/664439686.db2.gz TZYRIIWQQAPMFL-GJJFQZOLSA-N 1 0 386.233 2.640 20 0 GFADRO O=C(Nc1cc2c(cc1Br)OCCO2)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000916638662 664467298 /nfs/dbraw/zinc/46/72/98/664467298.db2.gz JQBODEZGIOFWHC-JSGCOSHPSA-N 1 0 396.285 2.969 20 0 GFADRO CC[N@H+](CN1C(=O)C(=O)N(c2ccc(Br)cc2)C1=O)C1CCCC1 ZINC000917464734 664484039 /nfs/dbraw/zinc/48/40/39/664484039.db2.gz FXCCZZNNEDFJCE-UHFFFAOYSA-N 1 0 394.269 2.966 20 0 GFADRO C[C@@H](CNC(=O)C(=O)Nc1ccc(Br)cc1F)[NH+]1CCCCC1 ZINC000918465014 664499413 /nfs/dbraw/zinc/49/94/13/664499413.db2.gz ISCSDCGMFSWNGW-NSHDSACASA-N 1 0 386.265 2.517 20 0 GFADRO CC1([NH+]2CCCC2)CCC(NC(=O)NCc2n[nH]cc2Br)CC1 ZINC000919559745 664514091 /nfs/dbraw/zinc/51/40/91/664514091.db2.gz WJQRVUDZTKMKGX-UHFFFAOYSA-N 1 0 384.322 2.769 20 0 GFADRO C[NH+](C)CCCOC(=O)CCc1nc(-c2cc(Br)cs2)no1 ZINC000919678002 664516495 /nfs/dbraw/zinc/51/64/95/664516495.db2.gz JRGAOWZOBRECAE-UHFFFAOYSA-N 1 0 388.287 2.988 20 0 GFADRO Cc1ccccc1C[N@@H+]1CCCN(C(=O)Cn2ccnc2Br)CC1 ZINC000919883000 664519119 /nfs/dbraw/zinc/51/91/19/664519119.db2.gz OAAGQWMAGLRREH-UHFFFAOYSA-N 1 0 391.313 2.689 20 0 GFADRO CCCC[N@H+](CCO)C[C@H](O)COc1ccc(Cl)cc1Br ZINC000920086295 664521749 /nfs/dbraw/zinc/52/17/49/664521749.db2.gz PZPFFRVAIRJEHY-ZDUSSCGKSA-N 1 0 380.710 2.937 20 0 GFADRO OC[C@@H]1CCCC[N@@H+]1C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000920085910 664521954 /nfs/dbraw/zinc/52/19/54/664521954.db2.gz DWPDZPPWKWWJGS-QWHCGFSZSA-N 1 0 378.694 2.689 20 0 GFADRO C[NH+](C)C[C@H]1CCCCN1C(=O)/C=C\c1ccc(I)o1 ZINC000921208107 664539125 /nfs/dbraw/zinc/53/91/25/664539125.db2.gz READDLZTQYIILO-ZVTBTPLYSA-N 1 0 388.249 2.840 20 0 GFADRO CSCc1ccc(C[NH2+]CC2CCN(S(=O)(=O)C(F)F)CC2)cc1 ZINC000921735794 664565438 /nfs/dbraw/zinc/56/54/38/664565438.db2.gz XDFCENZNRQLGPH-UHFFFAOYSA-N 1 0 378.510 2.904 20 0 GFADRO C[C@@H](NC(=O)NCc1cnc(Br)cn1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000921877049 664574591 /nfs/dbraw/zinc/57/45/91/664574591.db2.gz BLQGDPLPHOXXRF-OLZOCXBDSA-N 1 0 396.333 2.691 20 0 GFADRO Cn1nc2c(c1C[NH2+][C@@H]1CCN(c3cccc(Br)c3)C1=O)CCC2 ZINC000922070194 664584031 /nfs/dbraw/zinc/58/40/31/664584031.db2.gz PJYKDVAPYQYPEK-MRXNPFEDSA-N 1 0 389.297 2.566 20 0 GFADRO Cc1cccc(C[NH2+][C@@H]2CC(=O)N(C)[C@H]2c2ccnn2C)c1Br ZINC000922119677 664586654 /nfs/dbraw/zinc/58/66/54/664586654.db2.gz UTXPEDDRTDLNJH-CXAGYDPISA-N 1 0 377.286 2.553 20 0 GFADRO COc1cc(OC)c(C[C@@H](C)[NH2+]Cc2nc(Br)c[nH]2)c(OC)c1 ZINC000922158487 664588227 /nfs/dbraw/zinc/58/82/27/664588227.db2.gz JIBWYYAHIWEGSC-SNVBAGLBSA-N 1 0 384.274 2.919 20 0 GFADRO CCn1c(CNC(=O)N[C@@H]2CC[N@H+](C)[C@H]2C)nc2cc(Br)ccc21 ZINC000922181290 664589165 /nfs/dbraw/zinc/58/91/65/664589165.db2.gz PHBTVJDJZLKNJY-WCQYABFASA-N 1 0 394.317 2.711 20 0 GFADRO COC(OC)[C@@H](C)[NH2+]Cc1cc(Br)cc(Br)c1N ZINC000922314261 664594408 /nfs/dbraw/zinc/59/44/08/664594408.db2.gz XBWCEVWYEYXSRM-SSDOTTSWSA-N 1 0 382.096 2.891 20 0 GFADRO CCO[C@H](CNC(=O)N[C@@H](c1cncc(Br)c1)C1CC1)C[NH+](C)C ZINC000922393640 664599189 /nfs/dbraw/zinc/59/91/89/664599189.db2.gz QZMICYLFSZBWSM-HZPDHXFCSA-N 1 0 399.333 2.561 20 0 GFADRO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NCc3ncc(Br)s3)C2)[C@H]1C(C)C ZINC000922392720 664599198 /nfs/dbraw/zinc/59/91/98/664599198.db2.gz GQGKDUIGZQZEMZ-BHTHQVBYSA-N 1 0 388.375 2.865 20 0 GFADRO Cc1ccc(C[NH2+][C@H]2CCC(=O)N(C)[C@@H]2c2ccnn2C)cc1Br ZINC000922404959 664599815 /nfs/dbraw/zinc/59/98/15/664599815.db2.gz QWONHPZHELAFAG-YJBOKZPZSA-N 1 0 391.313 2.943 20 0 GFADRO Cc1cc(C[NH2+][C@@H]2CCCC[C@@H]2CC2N=NC(=O)N2C)ncc1Br ZINC000922405683 664600057 /nfs/dbraw/zinc/60/00/57/664600057.db2.gz ZKZPVTPQCYMHRG-IUODEOHRSA-N 1 0 394.317 2.878 20 0 GFADRO COc1ccc(C[NH2+]CC2CCC(S(C)(=O)=O)CC2)c(OC(F)F)c1 ZINC000922419389 664600719 /nfs/dbraw/zinc/60/07/19/664600719.db2.gz LMCDVOOMNGQXDI-UHFFFAOYSA-N 1 0 377.453 2.990 20 0 GFADRO COc1cc(C[NH2+]CC2CCC(S(C)(=O)=O)CC2)ccc1OC(F)F ZINC000922421965 664600976 /nfs/dbraw/zinc/60/09/76/664600976.db2.gz REGDUDZXGKWGHX-UHFFFAOYSA-N 1 0 377.453 2.990 20 0 GFADRO CN1C[C@@H](CC[NH2+]Cc2cc(Br)c3c(c2)OCCCO3)CC1=O ZINC000922489231 664603684 /nfs/dbraw/zinc/60/36/84/664603684.db2.gz OLFGGQUXUDCDQR-LBPRGKRZSA-N 1 0 383.286 2.568 20 0 GFADRO O=c1[nH]c(=O)n(CC(F)(F)F)cc1C[NH2+]Cc1csc(C(F)(F)F)c1 ZINC000922496180 664604216 /nfs/dbraw/zinc/60/42/16/664604216.db2.gz MFDNCKHPSSKDFZ-UHFFFAOYSA-N 1 0 387.305 2.881 20 0 GFADRO OC1(C[NH2+]Cc2nc3cc(Br)ccc3o2)CCC2(CC1)OCCO2 ZINC000922621278 664608627 /nfs/dbraw/zinc/60/86/27/664608627.db2.gz LGFPFNNVIPKHKE-UHFFFAOYSA-N 1 0 397.269 2.728 20 0 GFADRO C[N@@H+]1CCC[C@@H](CCNC(=O)NC2(c3ncc(Br)cn3)CCC2)C1 ZINC000922852959 664616665 /nfs/dbraw/zinc/61/66/65/664616665.db2.gz OJEOEYFXJVYWCI-ZDUSSCGKSA-N 1 0 396.333 2.649 20 0 GFADRO COc1sc(C[NH2+]C[C@H]2CCN2C2CCOCC2)cc1Br ZINC000922951823 664619834 /nfs/dbraw/zinc/61/98/34/664619834.db2.gz AQKUDBHJOZPFQR-GFCCVEGCSA-N 1 0 375.332 2.862 20 0 GFADRO C[C@H]1CC[C@H](C)[NH+]1CC(=O)Nc1cc(Br)cc2c1NC(=O)CO2 ZINC000923017301 664621196 /nfs/dbraw/zinc/62/11/96/664621196.db2.gz BELMTQFUEXRQBK-UWVGGRQHSA-N 1 0 382.258 2.591 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)N1CCC[C@@H]1c1ncc(Br)cn1 ZINC000923172597 664623514 /nfs/dbraw/zinc/62/35/14/664623514.db2.gz VCIQZSNLRRHGMW-ZIAGYGMSSA-N 1 0 396.333 2.958 20 0 GFADRO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(F)c(I)c1 ZINC000923277642 664627187 /nfs/dbraw/zinc/62/71/87/664627187.db2.gz IDGJQCYUOYPVAY-NWDGAFQWSA-N 1 0 388.224 2.739 20 0 GFADRO NC[C@@H]([NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1)C1CCCCC1 ZINC000923371656 664629109 /nfs/dbraw/zinc/62/91/09/664629109.db2.gz CXBKMMZEDOJSSY-NVXWUHKLSA-N 1 0 389.309 2.825 20 0 GFADRO OCC[NH2+][C@@H]1CCCN(Cc2csc(COc3ccc(Cl)cc3)n2)C1 ZINC000923407386 664630063 /nfs/dbraw/zinc/63/00/63/664630063.db2.gz YEUSTZGEMUEGPI-OAHLLOKOSA-N 1 0 381.929 2.922 20 0 GFADRO Cn1ncc(Br)c1CNC(=O)NC1CCC(C)([NH+]2CCCC2)CC1 ZINC000923610735 664634629 /nfs/dbraw/zinc/63/46/29/664634629.db2.gz XBDRTDJAKAKRRN-UHFFFAOYSA-N 1 0 398.349 2.779 20 0 GFADRO Cc1nn(CC(C)C)c(Cl)c1[C@@H]1CCCN1S(=O)(=O)[C@@H]1CCC[NH2+]C1 ZINC000923628971 664634785 /nfs/dbraw/zinc/63/47/85/664634785.db2.gz RIBPNAXXGLOSPX-CABCVRRESA-N 1 0 388.965 2.720 20 0 GFADRO [NH3+][C@@H]1CN(S(=O)(=O)c2cscc2C(F)F)C[C@H]1c1ccccc1F ZINC000923649598 664635031 /nfs/dbraw/zinc/63/50/31/664635031.db2.gz XHCBSGZWJCCJRW-GXFFZTMASA-N 1 0 376.425 2.940 20 0 GFADRO [NH3+][C@@H]1CCCO[C@H]1C1CCN(S(=O)(=O)c2cscc2C(F)F)CC1 ZINC000923646717 664635040 /nfs/dbraw/zinc/63/50/40/664635040.db2.gz LAEAVSDCIQHYKT-OCCSQVGLSA-N 1 0 380.482 2.593 20 0 GFADRO C[N@@H+](Cc1cccnc1)C[C@H]1CCN(C(=O)NCc2cnc(Cl)s2)C1 ZINC000923688521 664635848 /nfs/dbraw/zinc/63/58/48/664635848.db2.gz DLHFZQQXHNPNEQ-CQSZACIVSA-N 1 0 379.917 2.855 20 0 GFADRO C[C@@H]1CN(S(=O)(=O)c2ccc(C(F)(F)C(F)(F)F)cc2)CC[C@@H]1C[NH3+] ZINC000923699807 664636394 /nfs/dbraw/zinc/63/63/94/664636394.db2.gz LSIFOGPLMJPJGM-GHMZBOCLSA-N 1 0 386.386 2.946 20 0 GFADRO C[C@@H]1CN(S(=O)(=O)Cc2cccc(Cl)c2Br)CC[C@H]1C[NH3+] ZINC000923704220 664636615 /nfs/dbraw/zinc/63/66/15/664636615.db2.gz UARXMLULULTFRY-MNOVXSKESA-N 1 0 395.750 2.849 20 0 GFADRO C[C@]1(CS(=O)(=O)N2C[C@@H](CC[NH3+])Cc3ccccc32)CC1(Cl)Cl ZINC000923750805 664637749 /nfs/dbraw/zinc/63/77/49/664637749.db2.gz UXZWOKZLDVKZAW-SWLSCSKDSA-N 1 0 377.337 2.928 20 0 GFADRO CC[N@@H+]1CC[C@H]1CNC(=O)N1CCCC[C@@H]1c1ncc(Br)cn1 ZINC000924022474 664644681 /nfs/dbraw/zinc/64/46/81/664644681.db2.gz RPGKTOOGHFPUGD-UONOGXRCSA-N 1 0 382.306 2.570 20 0 GFADRO C[C@@H]([NH2+][C@H](c1cccs1)C1CC1)c1ccc(S(=O)(=O)CC(N)=O)cc1 ZINC000924593523 664658650 /nfs/dbraw/zinc/65/86/50/664658650.db2.gz VWYNOPCWUXADLH-XIKOKIGWSA-N 1 0 378.519 2.809 20 0 GFADRO COCC[N@@H+]1CC[C@@H](N2C(=O)[C@@H](c3cccc(Cl)c3Cl)N(C)C2=O)C1 ZINC000924598897 664658812 /nfs/dbraw/zinc/65/88/12/664658812.db2.gz HMHFXMCULYAZBD-IAQYHMDHSA-N 1 0 386.279 2.649 20 0 GFADRO C[C@@H]([NH2+][C@@H](C)C1CCN(S(C)(=O)=O)CC1)c1cccc(OC(F)F)c1 ZINC000924674004 664659359 /nfs/dbraw/zinc/65/93/59/664659359.db2.gz KODZFOHDYAWEGB-QWHCGFSZSA-N 1 0 376.469 2.999 20 0 GFADRO CN(C)c1cc[nH+]c(CNC(=O)NC[C@H](O)c2c(Cl)cccc2Cl)c1 ZINC000924663006 664659392 /nfs/dbraw/zinc/65/93/92/664659392.db2.gz XRQIWXCAXYRBGK-HNNXBMFYSA-N 1 0 383.279 2.987 20 0 GFADRO O=C1NCC2(CCOCC2)[C@H]1[NH2+]CC1(c2ccc(Br)cc2)CCC1 ZINC000924740115 664660542 /nfs/dbraw/zinc/66/05/42/664660542.db2.gz SCEYVYUIOQKEIX-INIZCTEOSA-N 1 0 393.325 2.756 20 0 GFADRO CC(C)NS(=O)(=O)Cc1ccc(C[NH2+][C@@H](C)C2(Br)CC2)cc1 ZINC000924780527 664661734 /nfs/dbraw/zinc/66/17/34/664661734.db2.gz GYOWJRFLDMTWNK-ZDUSSCGKSA-N 1 0 389.359 2.920 20 0 GFADRO C[C@H]([NH2+]CCCc1nc2c(s1)CCCC2)C1CCN(S(C)(=O)=O)CC1 ZINC000924917838 664664036 /nfs/dbraw/zinc/66/40/36/664664036.db2.gz PCHXRIPZZKJZBD-AWEZNQCLSA-N 1 0 385.599 2.604 20 0 GFADRO Cc1nc(CSc2ccccc2C(=O)NC[C@H]2C[C@H](O)C[N@H+]2C)cs1 ZINC000924986319 664664789 /nfs/dbraw/zinc/66/47/89/664664789.db2.gz JFEUJACORQXZEA-CABCVRRESA-N 1 0 377.535 2.539 20 0 GFADRO C[C@]12CCN(C(=O)N[C@@H]3CCC[N@@H+]4CCSC[C@H]34)C[C@H]1C2(Cl)Cl ZINC000925160720 664667694 /nfs/dbraw/zinc/66/76/94/664667694.db2.gz MRIKNBMVLCEQCW-BHPKHCPMSA-N 1 0 378.369 2.792 20 0 GFADRO C[C@@H]([NH2+]C[C@@H](c1ccc(Cl)cc1)N(C)C)C1CCN(S(C)(=O)=O)CC1 ZINC000925201153 664668595 /nfs/dbraw/zinc/66/85/95/664668595.db2.gz BEVJHECFSDYWKS-KDOFPFPSSA-N 1 0 387.977 2.592 20 0 GFADRO C[C@H]([NH2+]C1CCN(S(=O)(=O)C(F)(F)F)CC1)c1cnn(C2CCC2)c1 ZINC000925268050 664669621 /nfs/dbraw/zinc/66/96/21/664669621.db2.gz WTSHQZSBBJRGNV-NSHDSACASA-N 1 0 380.436 2.573 20 0 GFADRO CC[C@@H](NC[C@H]1C[NH2+]CCC1(F)F)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000925776545 664674575 /nfs/dbraw/zinc/67/45/75/664674575.db2.gz LIEFZBMAMXNQSV-TZMCWYRMSA-N 1 0 395.903 2.534 20 0 GFADRO Cc1nc(-c2cc([C@@H](C)[NH2+]CC[C@H]3CNCCS3(=O)=O)cs2)cs1 ZINC000925790665 664674679 /nfs/dbraw/zinc/67/46/79/664674679.db2.gz CCEDBTRIJXGNKZ-RISCZKNCSA-N 1 0 385.580 2.607 20 0 GFADRO C[C@@H]([NH2+]CC[C@H]1CNCCS1(=O)=O)c1ccc(-c2ccc(F)cc2)s1 ZINC000925801261 664675047 /nfs/dbraw/zinc/67/50/47/664675047.db2.gz XKTIXTYRABFLQR-CJNGLKHVSA-N 1 0 382.526 2.982 20 0 GFADRO O=C(Nc1cc(Br)ccc1F)N[C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000926027009 664679429 /nfs/dbraw/zinc/67/94/29/664679429.db2.gz OMJKSQYYNMDZIR-LBPRGKRZSA-N 1 0 386.265 2.868 20 0 GFADRO COc1cc(NC(=O)N2CCC3(CO[C@@H](C[NH3+])C3)CC2)ccc1Br ZINC000926048435 664679956 /nfs/dbraw/zinc/67/99/56/664679956.db2.gz DXSQDPHAXPAQNC-CYBMUJFWSA-N 1 0 398.301 2.819 20 0 GFADRO CC1(C)CN(C(=O)Nc2ccc(F)cc2I)C[C@H]1[NH3+] ZINC000926053454 664680099 /nfs/dbraw/zinc/68/00/99/664680099.db2.gz BTUXQROLRAEJGI-LLVKDONJSA-N 1 0 377.201 2.631 20 0 GFADRO COC(=O)c1c(C)c(NC(=O)N2CC[C@@H](C[NH3+])[C@@H](C)C2)ccc1Br ZINC000926105069 664681850 /nfs/dbraw/zinc/68/18/50/664681850.db2.gz VBUBNLBIMLQOIS-JQWIXIFHSA-N 1 0 398.301 2.993 20 0 GFADRO COC(=O)c1cc(NC(=O)NCC[C@@H]2C[NH2+]C[C@H]2C)c(C)cc1Br ZINC000926114160 664682177 /nfs/dbraw/zinc/68/21/77/664682177.db2.gz CUVYGHLGVFZHKB-VXGBXAGGSA-N 1 0 398.301 2.911 20 0 GFADRO CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)c1cscc1Br)C2 ZINC000926150738 664683038 /nfs/dbraw/zinc/68/30/38/664683038.db2.gz NKXBZBBBLRNCRA-NYTXWWLZSA-N 1 0 387.343 2.720 20 0 GFADRO Cn1c(Cl)cnc1-c1csc(NC(=O)NC[C@]23CCC[C@H]2[NH2+]CC3)n1 ZINC000926173152 664683960 /nfs/dbraw/zinc/68/39/60/664683960.db2.gz RUYOFOQGTYUKLT-BDJLRTHQSA-N 1 0 380.905 2.851 20 0 GFADRO [NH3+]CC[C@@H]1CCN(C(=O)Nc2ccc(I)cc2F)C1 ZINC000926175646 664683973 /nfs/dbraw/zinc/68/39/73/664683973.db2.gz ZRDVVEZTQOBRQD-SECBINFHSA-N 1 0 377.201 2.633 20 0 GFADRO [NH3+]C1CCN(CCNC(=O)Nc2ccc(OC(F)(F)F)cc2Cl)CC1 ZINC000926177755 664684057 /nfs/dbraw/zinc/68/40/57/664684057.db2.gz AOEKGXCFRAZHMJ-UHFFFAOYSA-N 1 0 380.798 2.783 20 0 GFADRO CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NC(=O)c1cc(Br)ccc1F)C2 ZINC000926191293 664684459 /nfs/dbraw/zinc/68/44/59/664684459.db2.gz XJIJUQJXLRZKSC-XLMAVXFVSA-N 1 0 399.304 2.798 20 0 GFADRO Cc1c(I)ccc(NC(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)c1C ZINC000926201549 664684661 /nfs/dbraw/zinc/68/46/61/664684661.db2.gz FOVQEFAMNNSFCX-TXEJJXNPSA-N 1 0 385.249 2.876 20 0 GFADRO [NH3+]C1CC(CNC(=O)Nc2ccc(I)c(Cl)c2)C1 ZINC000926221061 664684992 /nfs/dbraw/zinc/68/49/92/664684992.db2.gz YVVGKWAFEQEBML-UHFFFAOYSA-N 1 0 379.629 2.803 20 0 GFADRO C[C@H](NC(=O)NCC1(O)CC[NH+](C)CC1)c1cc(Cl)cc(Cl)c1F ZINC000926247995 664685445 /nfs/dbraw/zinc/68/54/45/664685445.db2.gz XVAYZIPPFLSDEX-JTQLQIEISA-N 1 0 378.275 2.949 20 0 GFADRO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NC(=O)c3ccc(Br)o3)C2)[C@@H]1C(C)C ZINC000926263526 664685753 /nfs/dbraw/zinc/68/57/53/664685753.db2.gz SAUIFGVAWHVAQD-LVRJZDEYSA-N 1 0 385.302 2.642 20 0 GFADRO CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NC(=O)c3nc(Cl)ccc3Cl)C2)[C@H]1C(C)C ZINC000926263643 664685929 /nfs/dbraw/zinc/68/59/29/664685929.db2.gz YQSYDOJAEWHSEM-ZHCAMHROSA-N 1 0 386.323 2.988 20 0 GFADRO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NC(=O)c3nc(Cl)ccc3Cl)C2)[C@H]1C(C)C ZINC000926263640 664685967 /nfs/dbraw/zinc/68/59/67/664685967.db2.gz YQSYDOJAEWHSEM-FAELENHSSA-N 1 0 386.323 2.988 20 0 GFADRO C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)C(=O)N1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000926306376 664687490 /nfs/dbraw/zinc/68/74/90/664687490.db2.gz GJBRMKVXAFZUGI-UPJWGTAASA-N 1 0 386.323 2.956 20 0 GFADRO CON1CCC([NH2+][C@@H](C)c2ccc(Br)cc2OCCCO)CC1 ZINC000926467636 664690272 /nfs/dbraw/zinc/69/02/72/664690272.db2.gz UNFXTHQMRWTRIE-ZDUSSCGKSA-N 1 0 387.318 2.887 20 0 GFADRO C[C@@H]([NH2+]CCOc1ccc(Cl)c(F)c1)C1CCN(S(C)(=O)=O)CC1 ZINC000926521942 664691475 /nfs/dbraw/zinc/69/14/75/664691475.db2.gz SJEREBQLLAMIMD-GFCCVEGCSA-N 1 0 378.897 2.508 20 0 GFADRO C[C@@H]1C[C@@H]([NH2+]C[C@@H](CO)Cc2ccc(F)c(Br)c2)c2ncnn21 ZINC000926543898 664692161 /nfs/dbraw/zinc/69/21/61/664692161.db2.gz MWOHRQXQOVKGBH-IFUGULHKSA-N 1 0 383.265 2.626 20 0 GFADRO CCO[C@@H](CNC(=O)N(C)Cc1ccc(Br)cc1F)C[NH+](C)C ZINC000926853527 664698053 /nfs/dbraw/zinc/69/80/53/664698053.db2.gz GGTPNEZAXCUHNV-AWEZNQCLSA-N 1 0 390.297 2.696 20 0 GFADRO OC1(C[NH2+][C@@H]2CCCc3ncc(Br)cc32)CCC2(CC1)OCCO2 ZINC000926900687 664698686 /nfs/dbraw/zinc/69/86/86/664698686.db2.gz OSDXWWLIURFHHU-MRXNPFEDSA-N 1 0 397.313 2.859 20 0 GFADRO C[C@@H]([NH2+]C[C@@H]1CCCN1CC(F)(F)F)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000926927726 664699249 /nfs/dbraw/zinc/69/92/49/664699249.db2.gz WUMHOIHICGFSEO-YPMHNXCESA-N 1 0 382.423 2.907 20 0 GFADRO COc1cc([C@H](C)[NH2+]CC[C@H](N(C)C)C(F)(F)F)ccc1S(C)(=O)=O ZINC000926963273 664699554 /nfs/dbraw/zinc/69/95/54/664699554.db2.gz NUHONQISFLEUGM-NHYWBVRUSA-N 1 0 382.448 2.632 20 0 GFADRO Cc1c([C@H](C)[NH2+]CC[C@@H]2CNC(=O)C2)nnn1-c1cccc(Br)c1 ZINC000926990129 664701603 /nfs/dbraw/zinc/70/16/03/664701603.db2.gz ZVNPDEZGGUHKBN-AAEUAGOBSA-N 1 0 392.301 2.515 20 0 GFADRO Cn1cc(C[C@@H]2CCC[C@@H]2[NH2+]CC2(n3cc(Br)cn3)CC2)cn1 ZINC000927006229 664702051 /nfs/dbraw/zinc/70/20/51/664702051.db2.gz QEQHMJUXNLTUTF-HOCLYGCPSA-N 1 0 378.318 2.869 20 0 GFADRO C[C@@H]([NH2+]CC1(n2cc(Br)cn2)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000927007367 664702233 /nfs/dbraw/zinc/70/22/33/664702233.db2.gz DPEJRYRNZZCZBS-GFCCVEGCSA-N 1 0 398.326 2.889 20 0 GFADRO C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)S2(=O)=O)c1ncc(Br)cc1F ZINC000927037009 664702792 /nfs/dbraw/zinc/70/27/92/664702792.db2.gz AWYLWWNCWCCBGP-OTQBISOXSA-N 1 0 377.279 2.742 20 0 GFADRO Brc1ccc([C@@H]([NH2+]CCO[C@H]2CCOC2)c2cncnc2)cc1 ZINC000927079447 664703115 /nfs/dbraw/zinc/70/31/15/664703115.db2.gz DCJYFOSIZVCHOF-DLBZAZTESA-N 1 0 378.270 2.724 20 0 GFADRO COCCC[C@H]([NH2+]C[C@@H](O)c1ccnn1C)c1ccc(Br)cc1 ZINC000927128748 664704960 /nfs/dbraw/zinc/70/49/60/664704960.db2.gz FGKOTYGUSKSTAC-DOTOQJQBSA-N 1 0 382.302 2.974 20 0 GFADRO C[C@@H]([NH2+][C@@H](C)C1CCN(S(C)(=O)=O)CC1)c1cc(Cl)cc2c1OCC2 ZINC000927142411 664705149 /nfs/dbraw/zinc/70/51/49/664705149.db2.gz UVVHMKMXNDXZJV-QWHCGFSZSA-N 1 0 386.945 2.986 20 0 GFADRO Cc1c(NC(=O)C(=O)N(C)[C@H](C)C[NH3+])cc(Br)cc1C(F)(F)F ZINC000927792339 664715998 /nfs/dbraw/zinc/71/59/98/664715998.db2.gz GVNHBMMUDWQFMX-SSDOTTSWSA-N 1 0 396.207 2.520 20 0 GFADRO C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)C(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000927829334 664716404 /nfs/dbraw/zinc/71/64/04/664716404.db2.gz YHOMTXGHENCYDC-NXEZZACHSA-N 1 0 377.794 2.659 20 0 GFADRO [NH3+]CC[C@@H]1CCN(C(=O)C(=O)Nc2cccnc2-c2ccc(Cl)s2)C1 ZINC000927885865 664717301 /nfs/dbraw/zinc/71/73/01/664717301.db2.gz DSBCGRHWGKSCPE-LLVKDONJSA-N 1 0 378.885 2.599 20 0 GFADRO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)CC[C@H]1C[NH3+] ZINC000927890547 664717380 /nfs/dbraw/zinc/71/73/80/664717380.db2.gz AADMHYJNLOOFIY-ZJUUUORDSA-N 1 0 377.794 2.741 20 0 GFADRO Cc1cc(Cl)cc(NC(=O)C(=O)NC[C@@H]2CC[C@H]([NH3+])C2)c1Br ZINC000927931482 664718098 /nfs/dbraw/zinc/71/80/98/664718098.db2.gz YHJRMQKXEIWDQK-KOLCDFICSA-N 1 0 388.693 2.593 20 0 GFADRO O=C(N[C@H]1CCC[N@@H+]2CCSC[C@H]12)c1c[nH]c2ncc(Br)cc12 ZINC000928086041 664722242 /nfs/dbraw/zinc/72/22/42/664722242.db2.gz LQVCUQZANLIKQZ-UONOGXRCSA-N 1 0 395.326 2.635 20 0 GFADRO O=C(N[C@@H]1CCC[N@@H+]2CCSC[C@H]12)c1c[nH]c2ncc(Br)cc12 ZINC000928086042 664722289 /nfs/dbraw/zinc/72/22/89/664722289.db2.gz LQVCUQZANLIKQZ-ZIAGYGMSSA-N 1 0 395.326 2.635 20 0 GFADRO O=C(Cc1cn2cc(Cl)cc(Cl)c2n1)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000928089963 664722595 /nfs/dbraw/zinc/72/25/95/664722595.db2.gz GUXVEXXNXTZRGI-GJZGRUSLSA-N 1 0 399.347 2.880 20 0 GFADRO C[N@H+](CC(=O)N1CCC[C@@H]1c1cncc(Br)c1)[C@H]1CCSC1 ZINC000928361106 664730864 /nfs/dbraw/zinc/73/08/64/664730864.db2.gz DSTGAOXWCPGHJL-LSDHHAIUSA-N 1 0 384.343 2.945 20 0 GFADRO C[C@@H]1[C@H](NC(=O)c2nn(-c3ccc(F)cc3)cc2Br)CC[N@@H+]1C ZINC000928440100 664732589 /nfs/dbraw/zinc/73/25/89/664732589.db2.gz ASULTPLORFGPRD-QMTHXVAHSA-N 1 0 381.249 2.596 20 0 GFADRO Cc1ccc(Br)nc1C(=O)N[C@@H](CC[NH+](C)C)c1cccnc1 ZINC000928835128 664740651 /nfs/dbraw/zinc/74/06/51/664740651.db2.gz WYFXNYTWVVKYIH-AWEZNQCLSA-N 1 0 377.286 2.970 20 0 GFADRO O=C1CN(Cc2ccc(Cl)cc2)C(=O)N1[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000929012002 664745309 /nfs/dbraw/zinc/74/53/09/664745309.db2.gz KPNVCKXQUMREPM-CVEARBPZSA-N 1 0 379.913 2.684 20 0 GFADRO CSC1CCC(CNC(=O)C(=O)NC[C@H](c2cccs2)[NH+](C)C)CC1 ZINC000929165107 664747490 /nfs/dbraw/zinc/74/74/90/664747490.db2.gz YQWVGTAQYIQBLP-YMAMQOFZSA-N 1 0 383.583 2.505 20 0 GFADRO COc1ccc(Br)cc1-c1ncc(C(=O)NCC[NH+](C)C)s1 ZINC000929163192 664747506 /nfs/dbraw/zinc/74/75/06/664747506.db2.gz ZNHPOSKOCUMSDU-UHFFFAOYSA-N 1 0 384.299 2.873 20 0 GFADRO CC(C)(C)NS(=O)(=O)C1([C@@H](O)C[N@@H+]2CCC[C@H]2c2ccsc2)CCC1 ZINC000929261741 664749025 /nfs/dbraw/zinc/74/90/25/664749025.db2.gz BPEJLUUQCNDAEY-HOTGVXAUSA-N 1 0 386.583 2.887 20 0 GFADRO O=C(NCC[NH+]1CCCC1)c1cnn(Cc2ccccc2)c1Br ZINC000929462862 664752785 /nfs/dbraw/zinc/75/27/85/664752785.db2.gz XJAXALHXEJLEPX-UHFFFAOYSA-N 1 0 377.286 2.520 20 0 GFADRO C[C@](O)(C[NH+]1CCC(OC[C@@H]2CCCCO2)CC1)C(F)(F)C(F)(F)F ZINC000929803588 664758022 /nfs/dbraw/zinc/75/80/22/664758022.db2.gz ZRCKWPVKQKIOSI-KBPBESRZSA-N 1 0 375.378 2.985 20 0 GFADRO CCO[C@@H](CNC(=O)Nc1c(C)cc(Br)cc1OC)C[NH+](C)C ZINC000929906469 664759544 /nfs/dbraw/zinc/75/95/44/664759544.db2.gz YUDPEDJMIAKXAN-ZDUSSCGKSA-N 1 0 388.306 2.854 20 0 GFADRO COc1ccc(I)c(NC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2C)c1 ZINC000930043526 664761568 /nfs/dbraw/zinc/76/15/68/664761568.db2.gz RSCMSIVFVZIHGJ-BXKDBHETSA-N 1 0 389.237 2.514 20 0 GFADRO COc1ccc(C[NH+](C)C)cc1NC(=O)c1cc(=O)[nH]cc1Br ZINC000930138067 664763196 /nfs/dbraw/zinc/76/31/96/664763196.db2.gz WSNUDYYJVFLCSA-UHFFFAOYSA-N 1 0 380.242 2.872 20 0 GFADRO COc1ccc(NC(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)c(Br)c1 ZINC000930140780 664763202 /nfs/dbraw/zinc/76/32/02/664763202.db2.gz FXKGLPYWTSUTBZ-JKSUJKDBSA-N 1 0 398.301 2.521 20 0 GFADRO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]Cc2cnc(Br)c(C)c2)c1 ZINC000930214117 664764704 /nfs/dbraw/zinc/76/47/04/664764704.db2.gz RIFRJLAVJLACLI-GFCCVEGCSA-N 1 0 398.326 2.911 20 0 GFADRO C[N@@H+]1C[C@@H]2CN(C(=O)Nc3ccc([S@](=O)C(F)(F)F)cc3)C[C@]2(C)C1 ZINC000930266698 664765667 /nfs/dbraw/zinc/76/56/67/664765667.db2.gz NONUIEFXIQSUKH-DJPMOHGLSA-N 1 0 375.416 2.729 20 0 GFADRO C[N@@H+]1C[C@@H]2CCN(C(=O)Nc3nc(SCc4ccccc4)ns3)[C@@H]2C1 ZINC000930400517 664769417 /nfs/dbraw/zinc/76/94/17/664769417.db2.gz DZKFDPWOZCGLJZ-UONOGXRCSA-N 1 0 375.523 2.998 20 0 GFADRO Brc1ccc(C[N@H+](CCn2ccnc2)C[C@@H]2C[C@H]3COC[C@H]3O2)o1 ZINC000930447458 664770677 /nfs/dbraw/zinc/77/06/77/664770677.db2.gz YOJGITSLTHOPEU-CWRNSKLLSA-N 1 0 396.285 2.545 20 0 GFADRO C[N@@H+]1CC[C@@H]1CNC(=O)Nc1cccc(Oc2ncc(Br)cn2)c1 ZINC000930447833 664770722 /nfs/dbraw/zinc/77/07/22/664770722.db2.gz IZFWAENJRNJOMT-CYBMUJFWSA-N 1 0 392.257 2.857 20 0 GFADRO CC(C)[N@H+](C)CC1CCN(C(=O)c2cc(Br)cn3ncnc23)CC1 ZINC000930709482 664776875 /nfs/dbraw/zinc/77/68/75/664776875.db2.gz DNYBUQVPSGNDPF-UHFFFAOYSA-N 1 0 394.317 2.684 20 0 GFADRO C[NH+](C)CCN(CCCc1ccccc1)C(=O)c1ncc(Br)cn1 ZINC000930906017 664780769 /nfs/dbraw/zinc/78/07/69/664780769.db2.gz ANHQBCLFNQCSDI-UHFFFAOYSA-N 1 0 391.313 2.876 20 0 GFADRO O[C@H](C[NH+]1CCC(O)(Cc2ccccn2)CC1)c1ccc(Br)cc1 ZINC000930983583 664782452 /nfs/dbraw/zinc/78/24/52/664782452.db2.gz QXTOIFGYFHUDMT-GOSISDBHSA-N 1 0 391.309 2.947 20 0 GFADRO CCO[C@@H](CNC(=O)Nc1cc(F)cc(F)c1Br)C[NH+](C)C ZINC000931026782 664783339 /nfs/dbraw/zinc/78/33/39/664783339.db2.gz BSSHZTNBZWKNDN-JTQLQIEISA-N 1 0 380.233 2.816 20 0 GFADRO CCOC(=O)[C@H](c1nc(Br)sc1C)N1CC[C@H]([NH+](C)C)[C@@H]1C ZINC000931038406 664783840 /nfs/dbraw/zinc/78/38/40/664783840.db2.gz QIUOBQMMQJSXDN-GAFUQQFSSA-N 1 0 390.347 2.843 20 0 GFADRO C[C@@H]1[C@H]([NH+](C)C)CCN1Cc1csc(-c2ccc(S(C)(=O)=O)cc2)n1 ZINC000931042559 664783879 /nfs/dbraw/zinc/78/38/79/664783879.db2.gz NDYJTDBVDDQCFI-CXAGYDPISA-N 1 0 379.551 2.738 20 0 GFADRO C[C@@H]1[C@H]([NH+](C)C)CCN1Cc1nc(Cc2cccc(Br)c2)no1 ZINC000931043211 664783959 /nfs/dbraw/zinc/78/39/59/664783959.db2.gz PQIAYMOWUWCMDW-IUODEOHRSA-N 1 0 379.302 2.947 20 0 GFADRO Brc1ccc(OCCCC[N@@H+]2CCO[C@@H](Cn3ccnn3)C2)cc1 ZINC000931057196 664784245 /nfs/dbraw/zinc/78/42/45/664784245.db2.gz CAKIKKNBHPHTRN-QGZVFWFLSA-N 1 0 395.301 2.601 20 0 GFADRO COC(=O)c1cc(Br)c(CN2C[C@H](C)[C@@](C)(CO)C2)cc1OC ZINC000931067467 664784398 /nfs/dbraw/zinc/78/43/98/664784398.db2.gz ULUXJDRCILYVME-APPDUMDISA-N 1 0 386.286 2.695 20 0 GFADRO CC[N@@H+]1CCC[C@@H](CNC(=O)[C@](C)(O)c2ccc(F)c(Br)c2)C1 ZINC000931128164 664786748 /nfs/dbraw/zinc/78/67/48/664786748.db2.gz SGKSYOKLZRFDMK-YVEFUNNKSA-N 1 0 387.293 2.644 20 0 GFADRO C[NH+]1CCC(n2ccc(NC(=O)N3CCS[C@@H](C(F)(F)F)C3)n2)CC1 ZINC000931126709 664786789 /nfs/dbraw/zinc/78/67/89/664786789.db2.gz KWTKQVFGLNKRAN-GFCCVEGCSA-N 1 0 377.436 2.661 20 0 GFADRO O=C(NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1ncc(Br)cn1 ZINC000931190934 664788005 /nfs/dbraw/zinc/78/80/05/664788005.db2.gz RQXZMUQEABOIPG-LBPRGKRZSA-N 1 0 395.326 2.943 20 0 GFADRO CC(C)(C)[NH2+]CCC(=O)Nc1ncn(Cc2cccc(Br)c2)n1 ZINC000931195333 664788186 /nfs/dbraw/zinc/78/81/86/664788186.db2.gz WXDFMFACZAGROR-UHFFFAOYSA-N 1 0 380.290 2.806 20 0 GFADRO C[C@@H]1C[C@H](c2ccc(Br)cc2)C[N@@H+]1C[C@@H](O)C[C@]1(O)CCOC1 ZINC000931268015 664790015 /nfs/dbraw/zinc/79/00/15/664790015.db2.gz YGCYRFLLSIRZSN-HUHSQHJXSA-N 1 0 384.314 2.529 20 0 GFADRO O=C(NCC[NH+]1CCC(O)CC1)Nc1cc(F)c(Br)c(Cl)c1 ZINC000931403740 664793788 /nfs/dbraw/zinc/79/37/88/664793788.db2.gz PMDFFDUTWLKPGL-UHFFFAOYSA-N 1 0 394.672 2.820 20 0 GFADRO OCCCCC[NH+]1CCN(C[C@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000931501572 664796584 /nfs/dbraw/zinc/79/65/84/664796584.db2.gz ZIKLBUXBOQJWRO-HNNXBMFYSA-N 1 0 391.339 2.513 20 0 GFADRO COc1ccccc1C[C@@](C)(CO)[NH2+]Cc1ccc(Br)nc1N ZINC000931605034 664800743 /nfs/dbraw/zinc/80/07/43/664800743.db2.gz HWJWHTUNFMBVRO-KRWDZBQOSA-N 1 0 380.286 2.518 20 0 GFADRO COCCC[NH+]1CCC(NC(=O)c2cc(Br)cnc2C2CC2)CC1 ZINC000931628744 664801053 /nfs/dbraw/zinc/80/10/53/664801053.db2.gz QJAKEPWVYLIPHO-UHFFFAOYSA-N 1 0 396.329 2.952 20 0 GFADRO CN(Cc1ccc(Cl)s1)C(=O)C[N@@H+]1CCC[C@H]([C@@]2(C)COC(=O)N2)C1 ZINC000932030020 664809215 /nfs/dbraw/zinc/80/92/15/664809215.db2.gz GLUXGLRZAWMWER-YVEFUNNKSA-N 1 0 385.917 2.570 20 0 GFADRO Cc1ccc(Br)c2cc(C(=O)N[C@H](C)CN3CC[NH+](C)CC3)[nH]c21 ZINC000932187626 664812464 /nfs/dbraw/zinc/81/24/64/664812464.db2.gz UPPHMEQKEGRWMW-CYBMUJFWSA-N 1 0 393.329 2.605 20 0 GFADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)C/C=C\c1ccc(Br)cc1 ZINC000932185963 664812616 /nfs/dbraw/zinc/81/26/16/664812616.db2.gz IZPIRLGMNXGHBT-ABCZVMIZSA-N 1 0 380.330 2.605 20 0 GFADRO C[C@@H]([NH2+][C@@H]1CCOc2ccc(Br)cc21)C(=O)NC[C@@H]1CCCO1 ZINC000932212004 664813902 /nfs/dbraw/zinc/81/39/02/664813902.db2.gz LFKZKZOZRSQFFA-OSAQELSMSA-N 1 0 383.286 2.546 20 0 GFADRO C[C@@H]([NH2+][C@@H]1CCOc2ccc(Br)cc21)C(=O)NC[C@H]1CCCO1 ZINC000932212140 664813937 /nfs/dbraw/zinc/81/39/37/664813937.db2.gz LFKZKZOZRSQFFA-UXIGCNINSA-N 1 0 383.286 2.546 20 0 GFADRO Cn1nccc1[C@H]1CCC[N@@H+]1C[C@H](O)COc1ccc(Br)cc1 ZINC000932275080 664817927 /nfs/dbraw/zinc/81/79/27/664817927.db2.gz LZEIFIMRDNXAMH-WMLDXEAASA-N 1 0 380.286 2.759 20 0 GFADRO C[C@H](C(=O)N1CCC([NH+](C)C)CC1)c1ccc(I)cc1 ZINC000932357694 664820304 /nfs/dbraw/zinc/82/03/04/664820304.db2.gz FJGRPCKMNBQFKP-LBPRGKRZSA-N 1 0 386.277 2.947 20 0 GFADRO Cc1ccc(Br)c2[nH]c(C(=O)NC[C@@H](C)N3CC[NH+](C)CC3)cc21 ZINC000932722467 664833265 /nfs/dbraw/zinc/83/32/65/664833265.db2.gz APFSCPCNHGFFQV-CYBMUJFWSA-N 1 0 393.329 2.605 20 0 GFADRO Cn1ccc(C[N@@H+]2CCC[C@@](O)(c3ccc(Br)cc3)C2)cc1=O ZINC000932812528 664839696 /nfs/dbraw/zinc/83/96/96/664839696.db2.gz ZLSPOZDAJVEHLO-SFHVURJKSA-N 1 0 377.282 2.631 20 0 GFADRO C[C@](O)(C[C@H](O)C[N@@H+]1CCC[C@@](O)(c2ccc(Br)cc2)C1)C1CC1 ZINC000932813620 664839756 /nfs/dbraw/zinc/83/97/56/664839756.db2.gz ADXXQCRAKFKIOI-FHWLQOOXSA-N 1 0 398.341 2.645 20 0 GFADRO C[NH+]1CCC(OCC(=O)NCC2(c3cccc(Br)c3)CC2)CC1 ZINC000932899721 664842418 /nfs/dbraw/zinc/84/24/18/664842418.db2.gz XEURNIVHGWYURU-UHFFFAOYSA-N 1 0 381.314 2.708 20 0 GFADRO CN(CCCC[NH+](C)C)C(=O)C[C@H]1C(=O)Nc2c1cccc2Br ZINC000933214004 664852869 /nfs/dbraw/zinc/85/28/69/664852869.db2.gz MYRFOQAQVLEPAR-CYBMUJFWSA-N 1 0 382.302 2.675 20 0 GFADRO O=C(c1cnn2cccc(Br)c12)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000933330998 664859370 /nfs/dbraw/zinc/85/93/70/664859370.db2.gz BMJIAAPLTSZVSF-CYBMUJFWSA-N 1 0 377.286 2.655 20 0 GFADRO O=S(=O)(CC[NH2+]C1([C@H]2CCCCO2)CC1)c1cccc(Br)c1 ZINC000933378330 664860924 /nfs/dbraw/zinc/86/09/24/664860924.db2.gz NIVWQISSIGLXNS-OAHLLOKOSA-N 1 0 388.327 2.914 20 0 GFADRO C[C@@H]1C[C@@H](N(C)C(=O)[C@@](C)(O)c2ccc(F)c(Br)c2)CC[N@@H+]1C ZINC000933440492 664864417 /nfs/dbraw/zinc/86/44/17/664864417.db2.gz DQDPBAKUNUPJCU-ZUCKAHLUSA-N 1 0 387.293 2.737 20 0 GFADRO COC(=O)c1cccc(C[NH2+][C@@](C)(CO)Cc2ccc(Br)cc2)n1 ZINC000933443845 664864851 /nfs/dbraw/zinc/86/48/51/664864851.db2.gz ZTCUBPSJIACATP-GOSISDBHSA-N 1 0 393.281 2.714 20 0 GFADRO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)c2nc(Br)c3ccccn32)C1 ZINC000933943443 664882493 /nfs/dbraw/zinc/88/24/93/664882493.db2.gz AJESFNXVMPEWHV-AWEZNQCLSA-N 1 0 391.313 2.901 20 0 GFADRO CCCCC1([NH2+]CC(=O)NCC(=O)Nc2ccccc2Br)CC1 ZINC000934207867 664892321 /nfs/dbraw/zinc/89/23/21/664892321.db2.gz ZMNJHKNHOBHEFX-UHFFFAOYSA-N 1 0 382.302 2.816 20 0 GFADRO Cc1c(Br)cncc1NC(=O)NC[C@@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000934247266 664893615 /nfs/dbraw/zinc/89/36/15/664893615.db2.gz ILMSOOHSABNEGH-INIZCTEOSA-N 1 0 398.349 2.546 20 0 GFADRO O[C@@H](C[NH2+][C@@H]1CCOC12CCOCC2)COc1c(Cl)cccc1Cl ZINC000934409633 664906182 /nfs/dbraw/zinc/90/61/82/664906182.db2.gz JZYWCKMUDJLKTJ-SWLSCSKDSA-N 1 0 376.280 2.661 20 0 GFADRO C[C@](CO)([NH2+]CCc1ccc(C(N)=O)cc1)c1cccc(Br)c1 ZINC000934494606 664908512 /nfs/dbraw/zinc/90/85/12/664908512.db2.gz RSYDOBGIQYZAHB-GOSISDBHSA-N 1 0 377.282 2.588 20 0 GFADRO C[C@@](CO)([NH2+]C[C@@H](O)CC1(CO)CCCC1)c1cccc(Br)c1 ZINC000934494979 664908589 /nfs/dbraw/zinc/90/85/89/664908589.db2.gz SYAYHVUDYCPBKW-IRXDYDNUSA-N 1 0 386.330 2.550 20 0 GFADRO CN(C)[S@](C)(=O)=NCC1CC[NH+](C[C@@H](O)Cc2cccc(Cl)c2)CC1 ZINC000934753787 664918900 /nfs/dbraw/zinc/91/89/00/664918900.db2.gz ZQZDZIIWHLKOQI-AVRWGWEMSA-N 1 0 387.977 2.530 20 0 GFADRO Cc1cc(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)cnc1Br ZINC000934914685 664929828 /nfs/dbraw/zinc/92/98/28/664929828.db2.gz SEYTZGVCBSJDSD-CVEARBPZSA-N 1 0 396.329 2.650 20 0 GFADRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2nc(Br)c3ccccn32)C1 ZINC000934950857 664931396 /nfs/dbraw/zinc/93/13/96/664931396.db2.gz MTOORGJBXZEZSJ-CHWSQXEVSA-N 1 0 377.286 2.653 20 0 GFADRO C[NH+]1CCC(OCC(=O)NCCc2cc(Cl)ccc2Br)CC1 ZINC000934994793 664932782 /nfs/dbraw/zinc/93/27/82/664932782.db2.gz FFMHURUBNWYBGS-UHFFFAOYSA-N 1 0 389.721 2.872 20 0 GFADRO C[N@@H+]1CC[C@H](NC(=O)c2cc(=O)[nH]cc2Br)[C@@H]1c1ccccc1 ZINC000935118905 664940936 /nfs/dbraw/zinc/94/09/36/664940936.db2.gz OZCDHTMBZDDOSA-HOCLYGCPSA-N 1 0 376.254 2.725 20 0 GFADRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)c1ccc2c(Br)cnn2c1 ZINC000935152451 664942908 /nfs/dbraw/zinc/94/29/08/664942908.db2.gz UGLBHAYGYPCZKZ-LBPRGKRZSA-N 1 0 379.302 2.899 20 0 GFADRO Cc1[nH]nc(Br)c1C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000935228152 664947118 /nfs/dbraw/zinc/94/71/18/664947118.db2.gz SYFUZJNBGAFLBC-UHFFFAOYSA-N 1 0 378.274 2.522 20 0 GFADRO C[C@H](NC(=O)c1cc(=O)[nH]cc1Br)[C@@H](c1ccccc1)[NH+](C)C ZINC000935438285 664961672 /nfs/dbraw/zinc/96/16/72/664961672.db2.gz KEGBMAHISUELPI-ZBEGNZNMSA-N 1 0 378.270 2.971 20 0 GFADRO Cc1c(Br)ccc(F)c1C(=O)N[C@H](C)CC[NH+]1CCN(C)CC1 ZINC000935446338 664962418 /nfs/dbraw/zinc/96/24/18/664962418.db2.gz RWRRGOIDNNUEMA-GFCCVEGCSA-N 1 0 386.309 2.652 20 0 GFADRO COc1cc(Br)cc(C(=O)NC(C)(C)CC[NH+]2CCN(C)CC2)c1 ZINC000935449575 664962663 /nfs/dbraw/zinc/96/26/63/664962663.db2.gz XENVJWVBBREZRS-UHFFFAOYSA-N 1 0 398.345 2.604 20 0 GFADRO CCN(CCC[NH+](C)C)C(=O)C[C@@H]1C(=O)Nc2c1cccc2Br ZINC000935580868 664971392 /nfs/dbraw/zinc/97/13/92/664971392.db2.gz IIHISJJAMADFCT-ZDUSSCGKSA-N 1 0 382.302 2.675 20 0 GFADRO O=C(NC1CC([NH+]2CCCCC2)C1)c1nc(Br)c2ccccn21 ZINC000935760403 664987123 /nfs/dbraw/zinc/98/71/23/664987123.db2.gz DVBQFPZQMFJWSA-UHFFFAOYSA-N 1 0 377.286 2.844 20 0 GFADRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1cnn2cccc(Br)c12 ZINC000935941744 665000490 /nfs/dbraw/zinc/00/04/90/665000490.db2.gz SOXPLYVWZCWVSE-OLZOCXBDSA-N 1 0 377.286 2.796 20 0 GFADRO C[C@H]1CCN(c2ncnc3ccc(I)cc32)[C@H](C[NH3+])C1 ZINC000957128266 665013152 /nfs/dbraw/zinc/01/31/52/665013152.db2.gz FLBGFLWQHYWPOB-JQWIXIFHSA-N 1 0 382.249 2.798 20 0 GFADRO C[C@@H]1CC[N@H+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)c2ccc(Cl)s2)C1 ZINC001000481010 665046974 /nfs/dbraw/zinc/04/69/74/665046974.db2.gz FZQMXLFIQNAQIJ-MQYQWHSLSA-N 1 0 381.929 2.605 20 0 GFADRO C[C@H]1CC[N@H+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)c2csc(Cl)c2)C1 ZINC001000485819 665047028 /nfs/dbraw/zinc/04/70/28/665047028.db2.gz RNLAMCCFXTXOTE-ATGSNQNLSA-N 1 0 381.929 2.605 20 0 GFADRO C[N@H+](CC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(Cl)s1)C2)C1CCC1 ZINC001000587382 665047662 /nfs/dbraw/zinc/04/76/62/665047662.db2.gz XVUMWUQVJCKGQY-RDBSUJKOSA-N 1 0 381.929 2.748 20 0 GFADRO C[NH+](C)[C@H](C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccsc1Cl)C2)C1CC1 ZINC001002619324 665056378 /nfs/dbraw/zinc/05/63/78/665056378.db2.gz LJIOQIGBKGONKI-RZFFKMDDSA-N 1 0 381.929 2.603 20 0 GFADRO C[N@@H+]1CC[C@H](CC(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ccsc2Cl)C3)C1 ZINC001002619984 665056439 /nfs/dbraw/zinc/05/64/39/665056439.db2.gz QLVHRAPTYSHCMS-GBOPCIDUSA-N 1 0 381.929 2.605 20 0 GFADRO CN(C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)C1CC[NH+](CC[C@H]2CC2(Cl)Cl)CC1 ZINC001005734871 665067808 /nfs/dbraw/zinc/06/78/08/665067808.db2.gz GOFGWZJDTHDZEL-JOWCLZMLSA-N 1 0 387.351 2.917 20 0 GFADRO O=C(N[C@H]1C[C@H]([NH2+]Cc2csc(Br)c2)C1)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001020406584 665073034 /nfs/dbraw/zinc/07/30/34/665073034.db2.gz YMSDUVSRKNAFTP-IWVDPLHQSA-N 1 0 397.338 2.671 20 0 GFADRO COc1c(Br)cc(Cl)cc1S(=O)(=O)NC(C)(C)CC[NH3+] ZINC000397176535 677411731 /nfs/dbraw/zinc/41/17/31/677411731.db2.gz GXCQPYDYHLQCLI-UHFFFAOYSA-N 1 0 385.711 2.517 20 0 GFADRO O=S1(=O)CCC([NH2+]Cc2cc(Br)ccc2Br)CC1 ZINC000463279223 677412858 /nfs/dbraw/zinc/41/28/58/677412858.db2.gz JDNHLSFCHRBBKM-UHFFFAOYSA-N 1 0 397.132 2.878 20 0 GFADRO CS(=O)(=O)[C@@H]1CCC[C@@H]([NH2+]C[C@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000579824617 677673570 /nfs/dbraw/zinc/67/35/70/677673570.db2.gz OPXGCLNYKLXPNQ-HZSPNIEDSA-N 1 0 396.336 2.679 20 0 GFADRO COc1ccc(S(=O)(=O)N2CCC([NH2+][C@@H](C)c3cscn3)CC2)cc1 ZINC000580225444 677673873 /nfs/dbraw/zinc/67/38/73/677673873.db2.gz UUMQMJXLZHVZIT-ZDUSSCGKSA-N 1 0 381.523 2.656 20 0 GFADRO C[C@H]([NH2+][C@@H](CO)C1CCOCC1)c1ccc(I)cc1 ZINC000580237307 677673894 /nfs/dbraw/zinc/67/38/94/677673894.db2.gz KDJUNMUJUSWSMP-NHYWBVRUSA-N 1 0 375.250 2.729 20 0 GFADRO COc1ccc(-c2nc3ccc(F)cc3c(N3CCN4CC[NH2+]C[C@H]4C3)n2)cc1 ZINC001164392842 718831322 /nfs/dbraw/zinc/83/13/22/718831322.db2.gz RRFFLCKRBOCPNG-KRWDZBQOSA-N 1 0 393.466 2.538 20 0 GFADRO Cc1cccc(-c2cc(C(F)(F)N3CCN4CC[NH2+]C[C@H]4C3)c(Cl)nn2)c1 ZINC001164400359 718844124 /nfs/dbraw/zinc/84/41/24/718844124.db2.gz XNSFFAYAFLZMBY-HNNXBMFYSA-N 1 0 393.869 2.744 20 0 GFADRO OC[C@]12C[NH2+]C[C@H]1CN(C(F)(F)Oc1ccccc1-c1cccc(Cl)n1)C2 ZINC001164407464 718854163 /nfs/dbraw/zinc/85/41/63/718854163.db2.gz PICBRYMTRZEFDA-SCLBCKFNSA-N 1 0 395.837 2.845 20 0 GFADRO FC(F)(c1nc(Cl)nc2[nH]cnc21)N1C[C@@H]2[NH2+]Cc3ccccc3[C@@H]2C1 ZINC001164424555 718945976 /nfs/dbraw/zinc/94/59/76/718945976.db2.gz PFPCJWCYHYFZGO-RYUDHWBXSA-N 1 0 376.798 2.578 20 0 GFADRO CCOC(=O)C1CC[NH+](C2CCN(c3ccc(Cl)c(OC)n3)CC2)CC1 ZINC001164618574 719030225 /nfs/dbraw/zinc/03/02/25/719030225.db2.gz YZADEYSYSHXUAB-UHFFFAOYSA-N 1 0 381.904 2.988 20 0 GFADRO CCOC(=O)C1CC[NH+](C2CCN(c3nccc(C)c3NC(C)=O)CC2)CC1 ZINC001164617800 719030779 /nfs/dbraw/zinc/03/07/79/719030779.db2.gz PAZLIKSBJZEKSY-UHFFFAOYSA-N 1 0 388.512 2.592 20 0 GFADRO CCOC(=O)C1CC[NH+](C2CCN(c3ccc(-c4ccccn4)nn3)CC2)CC1 ZINC001164617085 719033151 /nfs/dbraw/zinc/03/31/51/719033151.db2.gz GHRIRKQYHCEFPG-UHFFFAOYSA-N 1 0 395.507 2.783 20 0 GFADRO [NH3+]C1([C@H]2CN(C(F)(F)COC(=O)Nc3cccnc3Cl)C[C@H]2CF)CC1 ZINC001164619120 719124392 /nfs/dbraw/zinc/12/43/92/719124392.db2.gz CEAAYMGIYAUCDE-MNOVXSKESA-N 1 0 392.809 2.885 20 0 GFADRO COC(OC)c1ccc(NC(=O)C(C)(C)C)c(N2C[C@H](C)[N@H+](C)C[C@@H]2C)n1 ZINC001164632286 719223354 /nfs/dbraw/zinc/22/33/54/719223354.db2.gz AWUDRQKYOSIEGF-KBPBESRZSA-N 1 0 378.517 2.886 20 0 GFADRO Fc1ccc(CN2CCOCC23CCN(c2ccc4c(n2)CC[NH2+]C4)CC3)cc1 ZINC001164672144 719496993 /nfs/dbraw/zinc/49/69/93/719496993.db2.gz FSBXALVTOVRUMT-UHFFFAOYSA-N 1 0 396.510 2.738 20 0 GFADRO CC(C)N(C)Cc1nn(-c2ccnc(Cc3ccccc3)n2)c2c1CC[NH2+]C2 ZINC001164679583 719643433 /nfs/dbraw/zinc/64/34/33/719643433.db2.gz HXRMDJXXNNTLHC-UHFFFAOYSA-N 1 0 376.508 2.739 20 0 GFADRO COC(=O)c1cccc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)n1 ZINC001164695696 719886792 /nfs/dbraw/zinc/88/67/92/719886792.db2.gz RGHDGKQVDWUQBY-UHFFFAOYSA-N 1 0 387.505 2.801 20 0 GFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(Cl)nc3c1SCC3)C2 ZINC001164815360 720100566 /nfs/dbraw/zinc/10/05/66/720100566.db2.gz YPCXSKUHDIPGRA-LIRRHRJNSA-N 1 0 394.972 2.963 20 0 GFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(C(=O)OC)ccc1Cl)C2 ZINC001164815851 720124369 /nfs/dbraw/zinc/12/43/69/720124369.db2.gz WKSCBTWGVUYRFB-QRWLVFNGSA-N 1 0 393.915 2.706 20 0 GFADRO CCOC(=O)/C=C\c1ccc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COC)nc1 ZINC001164811083 720139000 /nfs/dbraw/zinc/13/90/00/720139000.db2.gz LGYWCNWPAASJDG-LWOXECLZSA-N 1 0 399.535 2.843 20 0 GFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ccnc(N3CCCCC3)n1)C2 ZINC001164817876 720162194 /nfs/dbraw/zinc/16/21/94/720162194.db2.gz QPYMZPDFQHDFJB-UGKGYDQZSA-N 1 0 385.556 2.652 20 0 GFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ncnc(-c3cccc(F)c3)n1)C2 ZINC001164820184 720177911 /nfs/dbraw/zinc/17/79/11/720177911.db2.gz ZSHLKXQMWCMCDB-GCJKJVERSA-N 1 0 397.498 2.862 20 0 GFADRO Cn1nnc2c1CCN(c1ccc(C(C)(C)C)cn1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164717865 720205608 /nfs/dbraw/zinc/20/56/08/720205608.db2.gz JUHRSMHQINVJCF-LJQANCHMSA-N 1 0 398.555 2.724 20 0 GFADRO CSc1cnc(N2CCCn3c(=O)cc(C[N@H+](C)C(C)C)nc3C2)c(C)c1 ZINC001164811860 720234776 /nfs/dbraw/zinc/23/47/76/720234776.db2.gz ADTLNRXOXFCFBM-UHFFFAOYSA-N 1 0 387.553 2.919 20 0 GFADRO Cc1ccnc(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c1Cl ZINC001164819576 720313752 /nfs/dbraw/zinc/31/37/52/720313752.db2.gz DKHJYILRXNMSDU-DLBZAZTESA-N 1 0 376.932 2.955 20 0 GFADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2nc(Cl)cnc2Cl)CC1 ZINC001164820002 720314996 /nfs/dbraw/zinc/31/49/96/720314996.db2.gz GDXAKXXACAXBOP-UONOGXRCSA-N 1 0 398.338 2.695 20 0 GFADRO O=C(c1cccnc1N1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1)N1CCCCC1 ZINC001164729909 720337920 /nfs/dbraw/zinc/33/79/20/720337920.db2.gz YVMJWURWCZHCBC-RTWAWAEBSA-N 1 0 391.519 2.956 20 0 GFADRO CCc1c(Cl)ncnc1N1CC[C@@H]2[C@@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164829792 720343225 /nfs/dbraw/zinc/34/32/25/720343225.db2.gz UKHZQGVDIALEDJ-DLBZAZTESA-N 1 0 391.947 2.604 20 0 GFADRO COC(=O)c1cc(C)nc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c1 ZINC001164839396 720510215 /nfs/dbraw/zinc/51/02/15/720510215.db2.gz UAHJALHBQXVGSH-VAMGGRTRSA-N 1 0 397.523 2.751 20 0 GFADRO C[NH+](C)C[C@H]1Cn2ccnc2CN(c2nc3cc(F)c(F)cc3nc2Cl)C1 ZINC001164730861 720512491 /nfs/dbraw/zinc/51/24/91/720512491.db2.gz UJSBWABJCQKZBA-NSHDSACASA-N 1 0 392.841 2.956 20 0 GFADRO CC(C)c1noc(-c2ccnc(N3Cc4nccn4C[C@@H](C[NH+](C)C)C3)c2)n1 ZINC001164734216 720529394 /nfs/dbraw/zinc/52/93/94/720529394.db2.gz OALZLWAEWVVAIG-OAHLLOKOSA-N 1 0 381.484 2.650 20 0 GFADRO Clc1cnc2c(c1)ncnc2N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001164729512 720570896 /nfs/dbraw/zinc/57/08/96/720570896.db2.gz PXAHFJWKNHBSTB-UHFFFAOYSA-N 1 0 383.887 2.533 20 0 GFADRO CSc1cnc(Cl)c(N2CCc3ncc(C[NH+]4CCCC4)n3CC2)n1 ZINC001164736786 720579708 /nfs/dbraw/zinc/57/97/08/720579708.db2.gz UCUBNFMXGDJPEM-UHFFFAOYSA-N 1 0 378.933 2.707 20 0 GFADRO CC(C)Oc1cncc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)n1 ZINC001164844126 720612309 /nfs/dbraw/zinc/61/23/09/720612309.db2.gz YWHBURDHJWLOCK-GUDVDZBRSA-N 1 0 384.528 2.838 20 0 GFADRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1cc(Cl)nc(N)n1)CC2 ZINC001164842593 720654722 /nfs/dbraw/zinc/65/47/22/720654722.db2.gz SEASQWCZYFBVRA-MRXNPFEDSA-N 1 0 387.915 2.972 20 0 GFADRO CNC(=O)c1cccnc1N1CCC2(C[C@@H]([N@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164844547 720700418 /nfs/dbraw/zinc/70/04/18/720700418.db2.gz TZZZVMDOLJQYJL-LJQANCHMSA-N 1 0 394.519 2.701 20 0 GFADRO Cc1cccc2nc(Cl)nc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)c12 ZINC001164746415 720734111 /nfs/dbraw/zinc/73/41/11/720734111.db2.gz XYFCVXLCKOFPIT-GJZGRUSLSA-N 1 0 396.882 2.724 20 0 GFADRO Cc1c(Cl)cnc(Cl)c1N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164742183 720745582 /nfs/dbraw/zinc/74/55/82/720745582.db2.gz NPUNOPSQBSZLFR-CHWSQXEVSA-N 1 0 380.279 2.829 20 0 GFADRO C[NH+](C)Cc1ccnc(N2CC[C@@H]3O[C@@H](COCc4ccccn4)CC[C@@H]32)c1 ZINC001164843819 720778335 /nfs/dbraw/zinc/77/83/35/720778335.db2.gz AUZJPNJNOWMTQC-HKBOAZHASA-N 1 0 382.508 2.881 20 0 GFADRO c1ncn(C[C@@H]2C[C@@H]3CN(c4nccc5ncsc54)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164745944 720841101 /nfs/dbraw/zinc/84/11/01/720841101.db2.gz OINMMVCRDKNGAF-SOLBZPMBSA-N 1 0 395.536 2.662 20 0 GFADRO Fc1cnc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c2[nH]ccc21 ZINC001164749488 720841816 /nfs/dbraw/zinc/84/18/16/720841816.db2.gz VXTMLWOTVVXXIH-TXPKVOOTSA-N 1 0 395.486 2.673 20 0 GFADRO CC(C)Cc1cc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)ncn1 ZINC001164741478 720850197 /nfs/dbraw/zinc/85/01/97/720850197.db2.gz FHSRJZAOMWDNTQ-SESVDKBCSA-N 1 0 395.555 2.646 20 0 GFADRO COCC[N@@H+]1CCO[C@H]2CN(c3nc(Cl)nc4c(F)cccc43)CC[C@H]2C1 ZINC001164853730 720850746 /nfs/dbraw/zinc/85/07/46/720850746.db2.gz OTZYFZLIACGCDM-BBRMVZONSA-N 1 0 394.878 2.596 20 0 GFADRO COCC[N@@H+]1CCO[C@@H]2CN(C(F)(F)c3nc(Cl)ccc3F)CC[C@H]2C1 ZINC001164854328 720853225 /nfs/dbraw/zinc/85/32/25/720853225.db2.gz JJBMYSLPATXENL-GXTWGEPZSA-N 1 0 393.837 2.593 20 0 GFADRO COCC[N@@H+]1CCO[C@@H]2CN(c3ncnc4ccc(SC)cc43)CC[C@H]2C1 ZINC001164857650 720887397 /nfs/dbraw/zinc/88/73/97/720887397.db2.gz KFUNLCFWKHIUML-HNAYVOBHSA-N 1 0 388.537 2.525 20 0 GFADRO COCC[N@@H+]1CCO[C@@H]2CN(c3nccc4cc(OC)c(F)cc43)CC[C@H]2C1 ZINC001164858634 720888753 /nfs/dbraw/zinc/88/87/53/720888753.db2.gz LMRGTDRQRPHBCQ-OXJNMPFZSA-N 1 0 389.471 2.556 20 0 GFADRO COC(=O)c1cc(Cl)nc(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@H]2C)n1 ZINC001164863094 720925804 /nfs/dbraw/zinc/92/58/04/720925804.db2.gz WZKBKHMHJNMSIG-GFCCVEGCSA-N 1 0 392.891 2.535 20 0 GFADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1ccc3ccc(=O)n(C)c3n1)[C@@H]2C ZINC001164857049 720964188 /nfs/dbraw/zinc/96/41/88/720964188.db2.gz GDFXVSUZUOYLMM-OAHLLOKOSA-N 1 0 380.496 2.551 20 0 GFADRO Cc1ccc(C[NH+]2CCC3(CCN(c4nccc(C(N)=O)n4)CC3)CC2)cc1 ZINC001164759448 721042529 /nfs/dbraw/zinc/04/25/29/721042529.db2.gz MLTNDYUFFZXOEJ-UHFFFAOYSA-N 1 0 379.508 2.767 20 0 GFADRO Clc1nc2cccnc2c(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164866106 721065007 /nfs/dbraw/zinc/06/50/07/721065007.db2.gz CUJYRGIWYGOTSW-HOTGVXAUSA-N 1 0 396.882 2.553 20 0 GFADRO CC(C)COc1cccc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164879842 721125285 /nfs/dbraw/zinc/12/52/85/721125285.db2.gz ULXJEPCBFXALHC-UXHICEINSA-N 1 0 382.508 2.991 20 0 GFADRO Cc1nnc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)c2ccccc12 ZINC001164879059 721138617 /nfs/dbraw/zinc/13/86/17/721138617.db2.gz RPAFZASWVLGJMV-MOPGFXCFSA-N 1 0 375.476 2.813 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4ncc5cc(Cl)ccc5n4)C[C@@H]3C2)cn1 ZINC001164761737 721144880 /nfs/dbraw/zinc/14/48/80/721144880.db2.gz BALNPLBTSNEUND-WBVHZDCISA-N 1 0 382.899 2.975 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4ncc5ccc(Cl)cc5n4)C[C@@H]3C2)cn1 ZINC001164769200 721150606 /nfs/dbraw/zinc/15/06/06/721150606.db2.gz PRNIWUJZEYXZEO-IRXDYDNUSA-N 1 0 382.899 2.975 20 0 GFADRO Cc1cc2ccncc2nc1N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164877044 721171312 /nfs/dbraw/zinc/17/13/12/721171312.db2.gz OFPNQHARIVKOSE-WOJBJXKFSA-N 1 0 375.476 2.813 20 0 GFADRO c1cc2c(nc(C3CC3)nc2N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)[nH]1 ZINC001164881132 721180042 /nfs/dbraw/zinc/18/00/42/721180042.db2.gz ZEXNBHJXZYIJKA-ZWKOTPCHSA-N 1 0 390.491 2.710 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4ncnc5sc6c(c54)CCC6)C[C@H]3C2)cn1 ZINC001164771453 721194464 /nfs/dbraw/zinc/19/44/64/721194464.db2.gz QAEJOHRKEDGFPW-JKSUJKDBSA-N 1 0 394.548 2.872 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(C(F)(F)Oc4ccnc(Cl)c4)C[C@@H]3C2)cn1 ZINC001164760778 721236175 /nfs/dbraw/zinc/23/61/75/721236175.db2.gz GSSOCLNSRAKEHP-CABCVRRESA-N 1 0 397.857 2.852 20 0 GFADRO Cc1ccc(Cl)c(N2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)n1 ZINC001164887165 721393865 /nfs/dbraw/zinc/39/38/65/721393865.db2.gz HFMHJGPWAIHPMD-YLJYHZDGSA-N 1 0 378.948 2.809 20 0 GFADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4nncc5ccc(F)cc54)C3)O2)CC1 ZINC001164883983 721416532 /nfs/dbraw/zinc/41/65/32/721416532.db2.gz CUBLXPZYAOOMAJ-KNQAVFIVSA-N 1 0 399.514 2.534 20 0 GFADRO c1csc(CN2C[C@H]3CN(c4cccc(OCC[NH+]5CCCC5)n4)C[C@@H]3C2)n1 ZINC001164788278 721421549 /nfs/dbraw/zinc/42/15/49/721421549.db2.gz RSBJNLMORKVZBJ-ROUUACIJSA-N 1 0 399.564 2.581 20 0 GFADRO CSCc1ccnc(N2CC[C@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)c1 ZINC001164899526 721444956 /nfs/dbraw/zinc/44/49/56/721444956.db2.gz YXSFCEOAHXLTLX-CTNGQTDRSA-N 1 0 390.597 2.710 20 0 GFADRO CC(C)(c1ccnc(Cl)c1)[N@@H+]1CC[C@@H]2OCC[C@H](C(=O)N3CCCO3)[C@H]2C1 ZINC001164790844 721483506 /nfs/dbraw/zinc/48/35/06/721483506.db2.gz GVRHJHKTJCMPIA-BBWFWOEESA-N 1 0 393.915 2.861 20 0 GFADRO CCOC(=O)c1cccc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)n1 ZINC001164803824 721545686 /nfs/dbraw/zinc/54/56/86/721545686.db2.gz JIJMGHQNPUDCGM-ZJOUEHCJSA-N 1 0 396.491 2.522 20 0 GFADRO COc1cnc2c(c1)ncnc2N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164902641 721548783 /nfs/dbraw/zinc/54/87/83/721548783.db2.gz ATKBNVVEQDOZGQ-CRAIPNDOSA-N 1 0 395.438 2.514 20 0 GFADRO Cc1cc2ncnc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@H]4OCCC[C@H]43)c2[nH]1 ZINC001164809883 721562929 /nfs/dbraw/zinc/56/29/29/721562929.db2.gz XTHIFNATEFIDEE-HBFSDRIKSA-N 1 0 378.480 2.530 20 0 GFADRO CCN(CC)c1cc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)ncn1 ZINC001164808811 721567062 /nfs/dbraw/zinc/56/70/62/721567062.db2.gz VSCTZYSBFGCLEP-IPJJNNNSSA-N 1 0 396.539 2.586 20 0 GFADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cnc3c(n2)CCCC3)[C@@H]2CCCO[C@@H]12 ZINC001164811412 721587607 /nfs/dbraw/zinc/58/76/07/721587607.db2.gz XNBPZFOCLMRXKR-KCZVDYSFSA-N 1 0 379.508 2.619 20 0 GFADRO CN(C)c1nccnc1N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164904038 721698898 /nfs/dbraw/zinc/69/88/98/721698898.db2.gz CPZOBPYMYXDXOY-IBGZPJMESA-N 1 0 388.466 2.675 20 0 GFADRO Cc1ccc(-c2ccc(N3CCCC34CC[NH+](CC(=O)N(C)C)CC4)nn2)o1 ZINC001165012484 721746960 /nfs/dbraw/zinc/74/69/60/721746960.db2.gz JHKCLYMAPHPMOI-UHFFFAOYSA-N 1 0 383.496 2.568 20 0 GFADRO C[N@H+](Cc1ccc(N2CC[C@]3(C[C@@H](Oc4cccnc4)CO3)C2)nc1)C1CC1 ZINC001164917399 721807240 /nfs/dbraw/zinc/80/72/40/721807240.db2.gz WGFNWGXCQHRCHQ-IRLDBZIGSA-N 1 0 380.492 2.888 20 0 GFADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(Cl)ccc3C(N)=O)C[C@H]21 ZINC001165024122 721813128 /nfs/dbraw/zinc/81/31/28/721813128.db2.gz ISYSYUWDJWPHDK-BMGDILEWSA-N 1 0 399.926 2.966 20 0 GFADRO CSc1nc(Cl)cc(C(F)(F)N2CC[C@H]3[C@H]2CCN3CC[NH+](C)C)n1 ZINC001164932761 721850776 /nfs/dbraw/zinc/85/07/76/721850776.db2.gz ZZXNDBIVLVBDNQ-NWDGAFQWSA-N 1 0 391.919 2.611 20 0 GFADRO C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2c1cc(Cl)ncc1C(=O)OC(C)(C)C ZINC001164927028 721869323 /nfs/dbraw/zinc/86/93/23/721869323.db2.gz UHXPINBPCBJBFX-CVEARBPZSA-N 1 0 394.947 2.905 20 0 GFADRO Cc1ccc(-c2nc3c(ncnc3N3CC[C@@H]4[C@@H]3CCN4CC[NH+](C)C)o2)cc1 ZINC001164934405 721880943 /nfs/dbraw/zinc/88/09/43/721880943.db2.gz RLDBESMXYCBYEY-MSOLQXFVSA-N 1 0 392.507 2.808 20 0 GFADRO C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2c1ccnc(CSc2ccccc2)n1 ZINC001164932028 721887741 /nfs/dbraw/zinc/88/77/41/721887741.db2.gz HLPGLDUWIRNWFI-OALUTQOASA-N 1 0 383.565 2.984 20 0 GFADRO CN1C(=O)CC[C@H]2[C@@H]1CCN2c1ccc2c(n1)CC[N@@H+](Cc1ccccc1)C2 ZINC001164932746 721891686 /nfs/dbraw/zinc/89/16/86/721891686.db2.gz IBNVZBNISLRGFO-SFTDATJTSA-N 1 0 376.504 2.839 20 0 GFADRO O=C(C[C@@H]1OC[C@@H]2CN(c3ccc(C[NH+]4CCCC4)cn3)CC[C@H]12)NC1CCC1 ZINC001164936054 721897098 /nfs/dbraw/zinc/89/70/98/721897098.db2.gz XPZBMULELLKRMA-JBACZVJFSA-N 1 0 398.551 2.578 20 0 GFADRO O=C(C[C@@H]1OC[C@@H]2CN(c3ncccc3C[NH+]3CCCC3)CC[C@H]12)NC1CCC1 ZINC001164934661 721897822 /nfs/dbraw/zinc/89/78/22/721897822.db2.gz RUFKBHYSFZIWBB-JBACZVJFSA-N 1 0 398.551 2.578 20 0 GFADRO CCS(=O)(=O)c1cc(C(F)(F)N2CCC[C@H]([NH+](C)C)C2)cnc1Cl ZINC001165036535 721899786 /nfs/dbraw/zinc/89/97/86/721899786.db2.gz GXZAYUXRCXPRMO-LBPRGKRZSA-N 1 0 381.876 2.604 20 0 GFADRO COc1cc(N2CCC3(CC2)C[N@H+](Cc2ccc(C)cc2)CCO3)nc(OC)n1 ZINC001164940607 721923845 /nfs/dbraw/zinc/92/38/45/721923845.db2.gz UTQDDNWGZGLPSA-UHFFFAOYSA-N 1 0 398.507 2.674 20 0 GFADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4nccnc4N(C)C)CC3)C2)cc1 ZINC001164938948 721924364 /nfs/dbraw/zinc/92/43/64/721924364.db2.gz CSPQRUVKFOWUNE-UHFFFAOYSA-N 1 0 381.524 2.722 20 0 GFADRO COc1ncnc(N2CCC3(CC2)C[N@H+](Cc2ccc(C)cc2)CCO3)c1C ZINC001164939804 721925442 /nfs/dbraw/zinc/92/54/42/721925442.db2.gz NKJVPONDFLHBLJ-UHFFFAOYSA-N 1 0 382.508 2.973 20 0 GFADRO CC[C@H]1C(=O)Nc2cnc(N(C)CC3CC[NH+](C)CC3)nc2N1C1CCCC1 ZINC001165041498 721933788 /nfs/dbraw/zinc/93/37/88/721933788.db2.gz ZZRHYFQLYWKPPI-SFHVURJKSA-N 1 0 386.544 2.734 20 0 GFADRO CCOC(=O)c1cncc(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)n1 ZINC001164952499 722016925 /nfs/dbraw/zinc/01/69/25/722016925.db2.gz LXXBIYPARSIMPO-UHFFFAOYSA-N 1 0 381.480 2.541 20 0 GFADRO COCc1nc(OC)cc(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)n1 ZINC001164965137 722024510 /nfs/dbraw/zinc/02/45/10/722024510.db2.gz ZXPKCKGOJPHOKD-UHFFFAOYSA-N 1 0 383.496 2.519 20 0 GFADRO CCCc1cncnc1N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164964696 722055270 /nfs/dbraw/zinc/05/52/70/722055270.db2.gz WUFRFJYBZPFEIQ-UHFFFAOYSA-N 1 0 381.524 2.943 20 0 GFADRO c1nc2c(ccnc2N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)s1 ZINC001164977453 722122166 /nfs/dbraw/zinc/12/21/66/722122166.db2.gz NGWLGJCJDXSFEB-IRXDYDNUSA-N 1 0 381.505 2.814 20 0 GFADRO c1c[nH]c(-c2ccnc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)c2)n1 ZINC001164982783 722132569 /nfs/dbraw/zinc/13/25/69/722132569.db2.gz SMWUGYXKPZVDDQ-PMACEKPBSA-N 1 0 390.491 2.594 20 0 GFADRO CC(C)Cc1cc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)ncn1 ZINC001164984185 722144486 /nfs/dbraw/zinc/14/44/86/722144486.db2.gz WFDOGCYLANXPHD-PZJWPPBQSA-N 1 0 381.524 2.797 20 0 GFADRO CN(C)C(=O)c1cncc(N2CCC[C@@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)n1 ZINC001164994829 722209055 /nfs/dbraw/zinc/20/90/55/722209055.db2.gz ILKCFHRLSFVLBI-OAQYLSRUSA-N 1 0 383.471 2.562 20 0 GFADRO Cc1cc(NC(=O)CC[N@H+](CCO)Cc2cccc(Br)c2)no1 ZINC000488225390 531484010 /nfs/dbraw/zinc/48/40/10/531484010.db2.gz CUJRHOZDXRTVOQ-UHFFFAOYSA-N 1 0 382.258 2.569 20 0 GFADRO CC[C@H](C)c1ccccc1OCC(=O)N1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000359960713 209206963 /nfs/dbraw/zinc/20/69/63/209206963.db2.gz PPHPVTLASCWTAW-LPHOPBHVSA-N 1 0 387.524 2.520 20 0 GFADRO CO[C@@H](CNC(=O)N(C)C1CC[NH+](C2CCOCC2)CC1)c1ccccc1 ZINC000359940076 209206088 /nfs/dbraw/zinc/20/60/88/209206088.db2.gz DKZFVEJSGYWPJV-FQEVSTJZSA-N 1 0 375.513 2.659 20 0 GFADRO CC(C)(C)Oc1cccc(CCC(=O)NC[C@H]2CCC[C@@H]2[NH+]2CCOCC2)n1 ZINC000359877006 209198251 /nfs/dbraw/zinc/19/82/51/209198251.db2.gz VKQOGTUTGMMHMR-MJGOQNOKSA-N 1 0 389.540 2.809 20 0 GFADRO CCN(C(=O)[C@@H](C)[NH+]1CCC(NC(=O)C2CCOCC2)CC1)C1CCCCC1 ZINC000359926633 209204602 /nfs/dbraw/zinc/20/46/02/209204602.db2.gz IGARSFXSKJWSDE-QGZVFWFLSA-N 1 0 393.572 2.563 20 0 GFADRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)N1CCC(NC(=O)c2ccoc2)CC1 ZINC000359928656 209204066 /nfs/dbraw/zinc/20/40/66/209204066.db2.gz XCEBPRWOQRCBHV-ZACQAIPSSA-N 1 0 390.528 2.550 20 0 GFADRO COc1ccc(C(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)c(OC)c1OC ZINC000072005080 211068176 /nfs/dbraw/zinc/06/81/76/211068176.db2.gz OECZDWNDBYYFAN-INIZCTEOSA-N 1 0 376.428 2.884 20 0 GFADRO C[C@@H]1C[C@H](C)N(CCS(=O)(=O)c2ccc(Br)cc2)C[C@H]1C[NH3+] ZINC000397389848 563531898 /nfs/dbraw/zinc/53/18/98/563531898.db2.gz XGOSTEHBBPVNRX-HZSPNIEDSA-N 1 0 389.359 2.528 20 0 GFADRO COc1ccc(Br)cc1S(=O)(=O)N1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000405321578 563538422 /nfs/dbraw/zinc/53/84/22/563538422.db2.gz RQFDOUIVWHGAIP-WCQYABFASA-N 1 0 391.331 2.596 20 0 GFADRO CCCC[N@H+](C)CCC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1Cl ZINC000015257436 551111251 /nfs/dbraw/zinc/11/12/51/551111251.db2.gz QWSPEMDVNMDVQZ-UHFFFAOYSA-N 1 0 375.922 2.651 20 0 GFADRO CC[NH+]1CCC(NC(=O)CSc2nncn2-c2cccc(Cl)c2)CC1 ZINC000027505695 551122727 /nfs/dbraw/zinc/12/27/27/551122727.db2.gz XZGTUJLHOAWOMT-UHFFFAOYSA-N 1 0 379.917 2.613 20 0 GFADRO CC(C)[C@@H](CNC(=O)CSCc1ccc(Cl)cc1)N1CC[NH+](C)CC1 ZINC000042578416 551139453 /nfs/dbraw/zinc/13/94/53/551139453.db2.gz DVZZWZNCSDZXOW-GOSISDBHSA-N 1 0 383.989 2.961 20 0 GFADRO O=C(c1ccccc1I)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000048551264 551156952 /nfs/dbraw/zinc/15/69/52/551156952.db2.gz JOUGXNPNKVCUNK-ZDUSSCGKSA-N 1 0 384.261 2.992 20 0 GFADRO O=C(NCCC[NH+]1CCCC1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000049275389 551158696 /nfs/dbraw/zinc/15/86/96/551158696.db2.gz DWMSHVFRMNTPKO-UHFFFAOYSA-N 1 0 377.794 2.899 20 0 GFADRO C[NH+]1CCN(CCCNC(=O)CCCCc2ccc(Br)cc2)CC1 ZINC000049603801 551159093 /nfs/dbraw/zinc/15/90/93/551159093.db2.gz YDRDFSPMHCLWND-UHFFFAOYSA-N 1 0 396.373 2.916 20 0 GFADRO C[N@@H+]1CCC[C@H](NC(=O)CCc2nc(-c3cc(Br)cs3)no2)C1 ZINC000053148651 551165702 /nfs/dbraw/zinc/16/57/02/551165702.db2.gz OXJURPVFLMUGGE-NSHDSACASA-N 1 0 399.314 2.704 20 0 GFADRO C[NH+]1CCC(CNC(=O)c2ccc(I)c(F)c2)CC1 ZINC000104364177 551198592 /nfs/dbraw/zinc/19/85/92/551198592.db2.gz KIQYNUQGPYGIHS-UHFFFAOYSA-N 1 0 376.213 2.502 20 0 GFADRO CC1CC[NH+](CCNC(=O)c2cc(=O)c3cc(Br)ccc3[nH]2)CC1 ZINC000112629620 551206098 /nfs/dbraw/zinc/20/60/98/551206098.db2.gz VDDGLWNBPIRDQD-UHFFFAOYSA-N 1 0 392.297 2.752 20 0 GFADRO C[C@@H]1CC[N@H+](CC(=O)Nc2ccc(Cl)c(S(=O)(=O)N(C)C)c2)[C@H](C)C1 ZINC000119139278 551214969 /nfs/dbraw/zinc/21/49/69/551214969.db2.gz VORVNCJFKCOYKE-CHWSQXEVSA-N 1 0 387.933 2.649 20 0 GFADRO C[C@H]1C[C@@H](N(C)C(=O)c2c(F)cccc2I)CC[N@@H+]1C ZINC000119140794 551215119 /nfs/dbraw/zinc/21/51/19/551215119.db2.gz KYNCAVQMNZZFHN-QWRGUYRKSA-N 1 0 390.240 2.985 20 0 GFADRO CC(C)[NH+]1CCC(NC(=O)C(=O)Nc2cc(Br)ccc2F)CC1 ZINC000119161823 551215481 /nfs/dbraw/zinc/21/54/81/551215481.db2.gz IFWPILJMLMDKKP-UHFFFAOYSA-N 1 0 386.265 2.516 20 0 GFADRO COc1ccc(Br)c(CN2CCN(CC[NH+]3CCCC3)CC2)c1 ZINC000119520757 551217419 /nfs/dbraw/zinc/21/74/19/551217419.db2.gz GUXVDDGVGVOQRW-UHFFFAOYSA-N 1 0 382.346 2.671 20 0 GFADRO Cc1nc(-c2ccc(S(=O)(=O)NC[C@@H]3CC[N@@H+](C4CC4)C3)s2)cs1 ZINC000119616766 551217835 /nfs/dbraw/zinc/21/78/35/551217835.db2.gz JBFOHNWOUYQQED-LBPRGKRZSA-N 1 0 383.564 2.943 20 0 GFADRO Cc1cccc(NC(=O)C(=O)NC[C@@H](CC(C)C)[NH+](C)C)c1Br ZINC000120918665 551222698 /nfs/dbraw/zinc/22/26/98/551222698.db2.gz BAAXQHZOFMNCFV-CYBMUJFWSA-N 1 0 384.318 2.789 20 0 GFADRO C[NH+]1CCN(CCCNC(=O)CCCc2ccc(Br)s2)CC1 ZINC000121138456 551227920 /nfs/dbraw/zinc/22/79/20/551227920.db2.gz GLYZPGNXHOKGIK-UHFFFAOYSA-N 1 0 388.375 2.587 20 0 GFADRO Cc1ccc(Br)c(NC(=O)C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)c1 ZINC000122071037 551294253 /nfs/dbraw/zinc/29/42/53/551294253.db2.gz QQXQNNUYYRPMCH-CZUORRHYSA-N 1 0 394.313 2.639 20 0 GFADRO Cc1ccc(NC(=O)C(=O)NCCC[NH+]2CCC(C)CC2)cc1Br ZINC000122485921 551298790 /nfs/dbraw/zinc/29/87/90/551298790.db2.gz XRCVDDMOMULJKL-UHFFFAOYSA-N 1 0 396.329 2.934 20 0 GFADRO C[NH+](C)C[C@H]1CCN(C(=O)c2cc(I)ccc2Cl)C1 ZINC000123125119 551303172 /nfs/dbraw/zinc/30/31/72/551303172.db2.gz PFJTWOHUGZBAHL-SNVBAGLBSA-N 1 0 392.668 2.968 20 0 GFADRO Cc1ccc(CN(C)C(=O)c2ccccc2S(=O)(=O)CCN(C)C)s1 ZINC000124135698 551310939 /nfs/dbraw/zinc/31/09/39/551310939.db2.gz XKPKOKZQROFCRR-UHFFFAOYSA-N 1 0 380.535 2.664 20 0 GFADRO CN(CC(=O)Nc1ccccc1Br)CC(C)(C)C[NH+]1CCOCC1 ZINC000124172028 551311524 /nfs/dbraw/zinc/31/15/24/551311524.db2.gz JUUFTUFPSLSSPM-UHFFFAOYSA-N 1 0 398.345 2.678 20 0 GFADRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(Cl)c(S(C)(=O)=O)c2)C1 ZINC000124400292 551314322 /nfs/dbraw/zinc/31/43/22/551314322.db2.gz SLMQEEDMMLMUJO-AWEZNQCLSA-N 1 0 386.945 2.841 20 0 GFADRO O=S(=O)(c1ccc(F)cc1C(F)(F)F)N1CCC([NH2+]CC2CC2)CC1 ZINC000124684217 551316780 /nfs/dbraw/zinc/31/67/80/551316780.db2.gz DKILYNXZSQSSHB-UHFFFAOYSA-N 1 0 380.407 2.997 20 0 GFADRO C[C@@H]1C[C@H](N(C)C(=O)Cc2ccccc2I)CC[N@@H+]1C ZINC000124886692 551318467 /nfs/dbraw/zinc/31/84/67/551318467.db2.gz HQENBBZRNDEFOP-TZMCWYRMSA-N 1 0 386.277 2.775 20 0 GFADRO C[N@@H+]1CCN(C(=O)c2cncc(I)c2)C2(CCCCC2)C1 ZINC000125709811 551322937 /nfs/dbraw/zinc/32/29/37/551322937.db2.gz XMQVPWHAUNDPSU-UHFFFAOYSA-N 1 0 399.276 2.777 20 0 GFADRO CN(CC[N@H+](C)C1CCN(C)CC1)CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000126470567 551330310 /nfs/dbraw/zinc/33/03/10/551330310.db2.gz WOIDCDHMLOUAEQ-UHFFFAOYSA-N 1 0 387.355 2.890 20 0 GFADRO COc1ccc(Br)c(C(=O)NCCC[NH2+]CC2=CCCOC2)c1 ZINC000127179728 551337620 /nfs/dbraw/zinc/33/76/20/551337620.db2.gz WATDXSDBCIRNBY-UHFFFAOYSA-N 1 0 383.286 2.514 20 0 GFADRO O=C(NC[C@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1)c1ccccc1Br ZINC000127299382 551339752 /nfs/dbraw/zinc/33/97/52/551339752.db2.gz VTCVYOCURWZCGA-HZPDHXFCSA-N 1 0 389.293 2.814 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)C(=O)N1CCc2c1cccc2Cl)c1cccs1 ZINC000127724324 551344042 /nfs/dbraw/zinc/34/40/42/551344042.db2.gz HFJZJQXCEWKROE-OAHLLOKOSA-N 1 0 377.897 2.710 20 0 GFADRO CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)C[C@@H]1CC[NH2+]C1 ZINC000127765707 551344702 /nfs/dbraw/zinc/34/47/02/551344702.db2.gz UQPXVGORRCHZQD-JTQLQIEISA-N 1 0 377.794 2.755 20 0 GFADRO COC(=O)CCc1csc(NC(=O)NC[C@@H](c2cccs2)[NH+](C)C)n1 ZINC000129614786 551358206 /nfs/dbraw/zinc/35/82/06/551358206.db2.gz IHXFYNGFZOFSOZ-LBPRGKRZSA-N 1 0 382.511 2.735 20 0 GFADRO O=C(Cc1ccccc1I)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000130115958 551362366 /nfs/dbraw/zinc/36/23/66/551362366.db2.gz NBNOFFIQOLYIFD-OAHLLOKOSA-N 1 0 398.288 2.921 20 0 GFADRO CCC(=O)N[C@@H]1CCC[N@H+](C[C@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000130369887 551364405 /nfs/dbraw/zinc/36/44/05/551364405.db2.gz DDNINLLJKPXGFE-KGLIPLIRSA-N 1 0 375.296 2.724 20 0 GFADRO CCC(=O)N[C@@H]1CCC[N@H+](C[C@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000130371544 551364511 /nfs/dbraw/zinc/36/45/11/551364511.db2.gz NPGRHOWUMOBOGJ-KGLIPLIRSA-N 1 0 375.296 2.724 20 0 GFADRO O[C@@H](C[NH2+]Cc1cn2ccccc2n1)COc1ccccc1Br ZINC000130961413 551370612 /nfs/dbraw/zinc/37/06/12/551370612.db2.gz XXRNZIBQSFAQBL-AWEZNQCLSA-N 1 0 376.254 2.626 20 0 GFADRO C[C@H](CNC(=O)CCCc1ccccc1Br)N1CC[NH+](C)CC1 ZINC000131307479 551374049 /nfs/dbraw/zinc/37/40/49/551374049.db2.gz HYANHSKSFQMJEZ-OAHLLOKOSA-N 1 0 382.346 2.524 20 0 GFADRO Cc1ccc(-n2ncc(NC[C@](C)(O)C[NH+](C)C)c(Cl)c2=O)cc1Cl ZINC000132956120 551380664 /nfs/dbraw/zinc/38/06/64/551380664.db2.gz MKMCQBDTJDUGPO-KRWDZBQOSA-N 1 0 385.295 2.572 20 0 GFADRO Cc1nn(C)c2ncc(C[NH2+]CC(=O)Nc3cccc(Br)c3)cc12 ZINC000137204293 551390862 /nfs/dbraw/zinc/39/08/62/551390862.db2.gz CTQCIDACOBDTKO-UHFFFAOYSA-N 1 0 388.269 2.768 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(Cl)c(NS(C)(=O)=O)c1 ZINC000149606488 551399165 /nfs/dbraw/zinc/39/91/65/551399165.db2.gz FNRDFPHHBHEABI-CYBMUJFWSA-N 1 0 387.933 2.706 20 0 GFADRO CS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000150846489 551402439 /nfs/dbraw/zinc/40/24/39/551402439.db2.gz BTZQUZUEQVSIQB-CQSZACIVSA-N 1 0 384.929 2.834 20 0 GFADRO C[NH2+][C@@H]1CCCN(C(=O)CCC[S@@](=O)c2ccc(Br)cc2)C1 ZINC000150979389 551404560 /nfs/dbraw/zinc/40/45/60/551404560.db2.gz SMOMLHXDCWKLRI-PEBXRYMYSA-N 1 0 387.343 2.547 20 0 GFADRO C[NH2+][C@H]1CCCN(C(=O)c2ccc(Cl)c(I)c2)C1 ZINC000151012922 551405752 /nfs/dbraw/zinc/40/57/52/551405752.db2.gz MUFCRTDJKBBABA-JTQLQIEISA-N 1 0 378.641 2.769 20 0 GFADRO O=S(=O)(C1CC1)N1CCC([NH2+]Cc2ccccc2OC(F)(F)F)CC1 ZINC000151268772 551410590 /nfs/dbraw/zinc/41/05/90/551410590.db2.gz TUPFPFPKJWTQCG-UHFFFAOYSA-N 1 0 378.416 2.631 20 0 GFADRO CCO[C@H](CC[NH+](C)C)CNC(=O)Cc1c[nH]c2cc(Br)ccc12 ZINC000151534596 551415843 /nfs/dbraw/zinc/41/58/43/551415843.db2.gz UYPJABKWEGLVRT-OAHLLOKOSA-N 1 0 396.329 2.946 20 0 GFADRO C[NH+]1CCN(CCCNC(=O)CCC(=O)c2cc(Cl)sc2Cl)CC1 ZINC000151543977 551416131 /nfs/dbraw/zinc/41/61/31/551416131.db2.gz SSDGGBAFTYNTNJ-UHFFFAOYSA-N 1 0 392.352 2.772 20 0 GFADRO C[NH+](C)CCn1ccc(NC(=O)Cc2c[nH]c3cccc(Br)c23)n1 ZINC000151557020 551416527 /nfs/dbraw/zinc/41/65/27/551416527.db2.gz HTJGECXKCKLFNY-UHFFFAOYSA-N 1 0 390.285 2.870 20 0 GFADRO COc1cc([C@@H](C)[NH2+][C@@H](C)Cn2cc(Br)cn2)ccc1OCCO ZINC000151672916 551419013 /nfs/dbraw/zinc/41/90/13/551419013.db2.gz VSOQYJNQSBFASS-QWHCGFSZSA-N 1 0 398.301 2.765 20 0 GFADRO CC(C)[C@H](Sc1nnnn1CC[NH+](C)C)C(=O)Nc1ccccc1Cl ZINC000151659932 551419131 /nfs/dbraw/zinc/41/91/31/551419131.db2.gz AOSGYBAMJZWTFF-AWEZNQCLSA-N 1 0 382.921 2.644 20 0 GFADRO COc1cc([C@H](C)[NH2+][C@@H](C)Cn2cc(Br)cn2)ccc1OCCO ZINC000151672788 551419191 /nfs/dbraw/zinc/41/91/91/551419191.db2.gz VSOQYJNQSBFASS-STQMWFEESA-N 1 0 398.301 2.765 20 0 GFADRO CCS(=O)(=O)NCCC[N@H+](Cc1csc(Br)c1)C1CC1 ZINC000151899748 551422894 /nfs/dbraw/zinc/42/28/94/551422894.db2.gz QJYAJROVTSRLAI-UHFFFAOYSA-N 1 0 381.361 2.804 20 0 GFADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)c1c(F)cc(Br)cc1F ZINC000151961852 551424128 /nfs/dbraw/zinc/42/41/28/551424128.db2.gz HDGVTXOKSZWDML-NSHDSACASA-N 1 0 377.229 2.568 20 0 GFADRO CS[C@@H](CO)[C@@H](C)[NH2+]Cc1cc(Br)c2c(c1)OCCCO2 ZINC000152425219 551432514 /nfs/dbraw/zinc/43/25/14/551432514.db2.gz QVHJJIVZJBNWEM-YGRLFVJLSA-N 1 0 376.316 2.812 20 0 GFADRO CCO[C@@H]1C[C@H](O)C12CC[NH+](C[C@H](O)c1cccc(Br)c1)CC2 ZINC000152703070 551438450 /nfs/dbraw/zinc/43/84/50/551438450.db2.gz CKBSQJQJUAKXME-YESZJQIVSA-N 1 0 384.314 2.734 20 0 GFADRO C[C@H]1CCCC[N@@H+]1CCC1CCN(S(=O)(=O)c2ncn(C)c2Cl)CC1 ZINC000152773959 551439457 /nfs/dbraw/zinc/43/94/57/551439457.db2.gz AJUCNGFGNLDJJR-AWEZNQCLSA-N 1 0 388.965 2.739 20 0 GFADRO C[NH+](C)C[C@](C)(O)CNC(=O)CCSc1ccnc2cc(Cl)ccc21 ZINC000152827153 551440666 /nfs/dbraw/zinc/44/06/66/551440666.db2.gz RJSFYLUAEUNSSS-GOSISDBHSA-N 1 0 381.929 2.799 20 0 GFADRO CCO[C@@H]1C[C@@H](O)C12CC[NH+](C[C@H](O)c1ccc(Br)cc1)CC2 ZINC000152835898 551440675 /nfs/dbraw/zinc/44/06/75/551440675.db2.gz ZQIDASHBXZQTRC-GVDBMIGSSA-N 1 0 384.314 2.734 20 0 GFADRO O=C(NCC[C@@H]1CCC[NH2+]C1)c1[nH]nc(-c2ccccc2)c1Br ZINC000152840560 551441294 /nfs/dbraw/zinc/44/12/94/551441294.db2.gz GDRYHVBXEUGKLO-LBPRGKRZSA-N 1 0 377.286 2.959 20 0 GFADRO CC[C@@H]([NH2+]C[C@H]1CCN(S(C)(=O)=O)C1)c1ccc(Br)cc1 ZINC000152894751 551442209 /nfs/dbraw/zinc/44/22/09/551442209.db2.gz JDDUEBUTALDALO-IUODEOHRSA-N 1 0 375.332 2.771 20 0 GFADRO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1ccc(Br)c(Cl)c1 ZINC000153258249 551449367 /nfs/dbraw/zinc/44/93/67/551449367.db2.gz XSWWFOLPOGUARK-SNVBAGLBSA-N 1 0 390.709 2.888 20 0 GFADRO C[C@@H](CC(=O)NC[C@@H](O)COc1cccc(Cl)c1Cl)C1CC[NH2+]CC1 ZINC000153263068 551449528 /nfs/dbraw/zinc/44/95/28/551449528.db2.gz NIJIDTIWJATHPG-GXTWGEPZSA-N 1 0 389.323 2.875 20 0 GFADRO C[NH+](C)[C@H]1CCCN(C(=O)c2cc(F)c(F)cc2I)C1 ZINC000153568174 551456028 /nfs/dbraw/zinc/45/60/28/551456028.db2.gz YHIZKTWCQMZOCG-VIFPVBQESA-N 1 0 394.203 2.736 20 0 GFADRO Cc1c(C(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)cnn1-c1ccc(Br)cc1 ZINC000153639024 551456887 /nfs/dbraw/zinc/45/68/87/551456887.db2.gz KYYNLVSEKCTZBL-TXEJJXNPSA-N 1 0 377.286 2.766 20 0 GFADRO C[C@@H](CC(=O)N1CC[NH+](CC(C)(C)O)CC1)c1ccc(Br)cc1 ZINC000153687551 551458463 /nfs/dbraw/zinc/45/84/63/551458463.db2.gz KGLXJHKZGNOREQ-AWEZNQCLSA-N 1 0 383.330 2.858 20 0 GFADRO Brc1cc2c(c(CN3CCC[C@H](C[NH+]4CCOCC4)C3)c1)OCC2 ZINC000153842072 551461546 /nfs/dbraw/zinc/46/15/46/551461546.db2.gz ZNGQINQDBACNIV-OAHLLOKOSA-N 1 0 395.341 2.928 20 0 GFADRO C[NH+](C)C[C@@H]1CCN(S(=O)(=O)c2ccc(Br)c(Cl)c2)C1 ZINC000153840257 551461639 /nfs/dbraw/zinc/46/16/39/551461639.db2.gz BFAIHJVJWJZVNU-JTQLQIEISA-N 1 0 381.723 2.675 20 0 GFADRO C[C@@H]1CN(C(=O)c2nn(-c3ccc(F)cc3)cc2Br)C[C@H](C)[NH2+]1 ZINC000153975908 551464450 /nfs/dbraw/zinc/46/44/50/551464450.db2.gz GOCVLSVHIIIJNE-PHIMTYICSA-N 1 0 381.249 2.596 20 0 GFADRO O=C1C[C@@H]([C@H]2CCCC[N@H+]2Cc2cc(Br)cc3c2OCC3)CN1 ZINC000154044179 551465934 /nfs/dbraw/zinc/46/59/34/551465934.db2.gz WAMBAVVRJSLGAA-CZUORRHYSA-N 1 0 379.298 2.875 20 0 GFADRO C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)c1ccc(I)c(Cl)c1 ZINC000154117100 551467819 /nfs/dbraw/zinc/46/78/19/551467819.db2.gz GICJISNBGLVRLM-SCZZXKLOSA-N 1 0 378.641 2.896 20 0 GFADRO C[C@@H]1CN(C(=O)C2(c3ccc(Br)cc3)CCOCC2)C[C@@H](C)[NH2+]1 ZINC000154142846 551468390 /nfs/dbraw/zinc/46/83/90/551468390.db2.gz ZERLIAPFSVUBTO-ZIAGYGMSSA-N 1 0 381.314 2.706 20 0 GFADRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)C(=O)Nc1ccccc1Br ZINC000154372899 551473289 /nfs/dbraw/zinc/47/32/89/551473289.db2.gz OMBLMCLJEZERPI-CYBMUJFWSA-N 1 0 382.302 2.720 20 0 GFADRO O[C@@H](COC1CCOCC1)C[N@H+](Cc1cccc(Br)c1)C1CC1 ZINC000154375290 551473830 /nfs/dbraw/zinc/47/38/30/551473830.db2.gz KYWCTJHKPSFTKI-QGZVFWFLSA-N 1 0 384.314 2.970 20 0 GFADRO Cc1ccc(Br)c(NC(=O)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)c1 ZINC000154469316 551476116 /nfs/dbraw/zinc/47/61/16/551476116.db2.gz YDCAIRGNGKSHRF-LBPRGKRZSA-N 1 0 384.318 2.789 20 0 GFADRO Cc1csc(Sc2ccc(NC(=O)C(=O)N(C)CC[NH+](C)C)cc2)n1 ZINC000154789375 551482898 /nfs/dbraw/zinc/48/28/98/551482898.db2.gz VPRHDTNIXVDFJV-UHFFFAOYSA-N 1 0 378.523 2.561 20 0 GFADRO CNC(=O)CCC[N@H+](C)CCCOc1cccc(I)c1 ZINC000154808416 551483173 /nfs/dbraw/zinc/48/31/73/551483173.db2.gz AJFCANZICFVAMR-UHFFFAOYSA-N 1 0 390.265 2.518 20 0 GFADRO C[NH+](C)C1(CNC(=O)Cc2c[nH]c3cccc(Br)c23)CCOCC1 ZINC000154854088 551484450 /nfs/dbraw/zinc/48/44/50/551484450.db2.gz AGTQAYAKIFXEDH-UHFFFAOYSA-N 1 0 394.313 2.700 20 0 GFADRO O=C(NCCOc1cccc(Br)c1)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC000154839520 551484453 /nfs/dbraw/zinc/48/44/53/551484453.db2.gz DOGOKUGHXJUSAK-KRWDZBQOSA-N 1 0 397.313 2.588 20 0 GFADRO [NH3+][C@H]1CCCCCC[C@H]1C(=O)NCCNC(=O)c1cccc(Br)c1 ZINC000154867491 551484538 /nfs/dbraw/zinc/48/45/38/551484538.db2.gz NTTUFRBZZLEEHJ-CVEARBPZSA-N 1 0 396.329 2.593 20 0 GFADRO C[NH+](C)C[C@@H]1CCCCN1C(=O)Cc1cccc(I)c1 ZINC000154873465 551484583 /nfs/dbraw/zinc/48/45/83/551484583.db2.gz RGGSGDSJGKUNBE-HNNXBMFYSA-N 1 0 386.277 2.776 20 0 GFADRO C[N@H+](CC(=O)NCC1(c2ccc(Cl)cc2)CCOCC1)[C@H]1CCSC1 ZINC000154922231 551485625 /nfs/dbraw/zinc/48/56/25/551485625.db2.gz COGYBBIEWDYHOU-KRWDZBQOSA-N 1 0 382.957 2.942 20 0 GFADRO C[C@](C[NH3+])(NC(=O)c1nn(-c2ccc(F)cc2)cc1Br)C1CC1 ZINC000154936516 551486157 /nfs/dbraw/zinc/48/61/57/551486157.db2.gz ISWXDTWRBJLAFG-MRXNPFEDSA-N 1 0 381.249 2.631 20 0 GFADRO C[C@H]1CN(C(=O)c2ccc(NC(=O)c3ccc(Br)o3)cc2)CC[NH2+]1 ZINC000155038882 551489633 /nfs/dbraw/zinc/48/96/33/551489633.db2.gz RRCMIAAOCOKGIE-NSHDSACASA-N 1 0 392.253 2.728 20 0 GFADRO CN(C(=O)c1cc(F)c(F)cc1I)C1CC[NH+](C)CC1 ZINC000155212038 551494389 /nfs/dbraw/zinc/49/43/89/551494389.db2.gz WDFZDNWGGSOAEG-UHFFFAOYSA-N 1 0 394.203 2.736 20 0 GFADRO Cc1sc(Br)cc1S(=O)(=O)N(C)[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000155278185 551496286 /nfs/dbraw/zinc/49/62/86/551496286.db2.gz BJCXJFDFOFAVOD-ONGXEEELSA-N 1 0 381.361 2.780 20 0 GFADRO CC[N@H+](C)C[C@H]1CCN(S(=O)(=O)c2cc(Br)sc2C)C1 ZINC000155361858 551498349 /nfs/dbraw/zinc/49/83/49/551498349.db2.gz YKSCGYXZVJUTFQ-LLVKDONJSA-N 1 0 381.361 2.781 20 0 GFADRO CC[C@H](C)[C@H]([NH3+])C(=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000155601556 551503294 /nfs/dbraw/zinc/50/32/94/551503294.db2.gz LTXZCLBSZZEHHV-GWCFXTLKSA-N 1 0 378.826 2.776 20 0 GFADRO C[N@@H+]1CC[C@@H](CNC(=O)CNCC(F)(F)F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000155598253 551503379 /nfs/dbraw/zinc/50/33/79/551503379.db2.gz ZEJQJPGDRHMVQG-NHYWBVRUSA-N 1 0 381.801 2.740 20 0 GFADRO Cc1cccc(S(=O)(=O)CCC[NH2+][C@H](C[S@](C)=O)c2ccccc2)c1 ZINC000155814314 551508069 /nfs/dbraw/zinc/50/80/69/551508069.db2.gz FPOKIJBDZLPWLI-NTKDMRAZSA-N 1 0 379.547 2.868 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)c2ccc(S(=O)(=O)c3ccccc3)s2)C1 ZINC000156186979 551516429 /nfs/dbraw/zinc/51/64/29/551516429.db2.gz ARSUEQVCYUCOKN-ZIAGYGMSSA-N 1 0 378.519 2.780 20 0 GFADRO Cc1cccc(S(=O)(=O)N(C)C[C@H]2CCC[N@H+](C)C2)c1Br ZINC000156209632 551516948 /nfs/dbraw/zinc/51/69/48/551516948.db2.gz NTKJFEADRPTBRU-ZDUSSCGKSA-N 1 0 375.332 2.720 20 0 GFADRO C[C@@H]1C[C@@H](N(C)C(=O)c2ccc(F)c(I)c2)CC[N@@H+]1C ZINC000156319762 551520173 /nfs/dbraw/zinc/52/01/73/551520173.db2.gz FVUULFIPVYUGMK-PWSUYJOCSA-N 1 0 390.240 2.985 20 0 GFADRO O=C(Cc1cccc(I)c1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000156453571 551523134 /nfs/dbraw/zinc/52/31/34/551523134.db2.gz NWTZTSWAJPMINF-INIZCTEOSA-N 1 0 398.288 2.921 20 0 GFADRO C[N@@H+]1CCC[C@H](CNC(=O)c2cc(F)c(F)cc2I)C1 ZINC000156870504 551529545 /nfs/dbraw/zinc/52/95/45/551529545.db2.gz ULIMECVVRGPUEG-SECBINFHSA-N 1 0 394.203 2.641 20 0 GFADRO C[N@@H+]1CCC[C@@H](CNC(=O)c2c(F)cccc2I)C1 ZINC000156873769 551530025 /nfs/dbraw/zinc/53/00/25/551530025.db2.gz PFGFAKRKVZWKAZ-JTQLQIEISA-N 1 0 376.213 2.502 20 0 GFADRO CCS(=O)(=O)C[C@H](C)[NH2+]CCCc1ccc(Br)cc1OC ZINC000157164992 551534229 /nfs/dbraw/zinc/53/42/29/551534229.db2.gz QTGVQHVMXLAAEB-LBPRGKRZSA-N 1 0 378.332 2.803 20 0 GFADRO CC[NH+]1CCN([C@H]2CCN(c3ccnc4cc(Br)cnc43)C2)CC1 ZINC000157469539 551538186 /nfs/dbraw/zinc/53/81/86/551538186.db2.gz SIBOISKAENPSNR-HNNXBMFYSA-N 1 0 390.329 2.609 20 0 GFADRO [NH3+]C[C@H]1CCC[C@H]1NC(=O)CCC[S@](=O)c1ccc(Br)cc1 ZINC000158006144 551545811 /nfs/dbraw/zinc/54/58/11/551545811.db2.gz ZNDXXOGITLURBF-AVKZDSLQSA-N 1 0 387.343 2.581 20 0 GFADRO CC[NH+](CC)Cc1ccccc1CNC(=O)c1csc(S(C)(=O)=O)c1 ZINC000158239957 551549160 /nfs/dbraw/zinc/54/91/60/551549160.db2.gz TUCCNEWPRKYKFE-UHFFFAOYSA-N 1 0 380.535 2.923 20 0 GFADRO CN(CC[NH2+]Cc1ccccc1OCC1CC1)S(=O)(=O)c1cccs1 ZINC000158309410 551549791 /nfs/dbraw/zinc/54/97/91/551549791.db2.gz QGLWLBIZVAIXTB-UHFFFAOYSA-N 1 0 380.535 2.947 20 0 GFADRO CN(CC[NH2+]Cc1cccc2c1OC(C)(C)C2)S(=O)(=O)c1cccs1 ZINC000158348543 551550674 /nfs/dbraw/zinc/55/06/74/551550674.db2.gz JLGRPXAGNRZXAS-UHFFFAOYSA-N 1 0 380.535 2.872 20 0 GFADRO COCC[C@H](Cc1cccc(Br)c1)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000158513647 551552889 /nfs/dbraw/zinc/55/28/89/551552889.db2.gz QADXIJJDMIOSLR-APWZRJJASA-N 1 0 395.341 2.856 20 0 GFADRO C[C@H]1CCC[N@@H+]1C1CCN(S(=O)(=O)c2c(Cl)nc3ccccn32)CC1 ZINC000158564226 551553741 /nfs/dbraw/zinc/55/37/41/551553741.db2.gz ZNLZOKIZEUMZHH-ZDUSSCGKSA-N 1 0 382.917 2.625 20 0 GFADRO C[C@H](C[S@](C)=O)N(C)C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000158829925 551557155 /nfs/dbraw/zinc/55/71/55/551557155.db2.gz YSFMWFMWJAQYJN-SGANQWHYSA-N 1 0 383.583 2.509 20 0 GFADRO C[NH+](C)CC(C)(C)CNC(=O)c1ccnc(Cl)c1I ZINC000158965451 551559302 /nfs/dbraw/zinc/55/93/02/551559302.db2.gz CALDLNNSESJCFN-UHFFFAOYSA-N 1 0 395.672 2.657 20 0 GFADRO NC(=O)[C@@H](c1ccc(Br)cc1F)N1CC[NH+](C2CCCC2)CC1 ZINC000158973259 551559339 /nfs/dbraw/zinc/55/93/39/551559339.db2.gz ZAQMXRNTNQUDFO-MRXNPFEDSA-N 1 0 384.293 2.675 20 0 GFADRO O=S(=O)(NCCC[NH+]1CCC(O)CC1)c1cc2cc(Cl)ccc2s1 ZINC000159018751 551559522 /nfs/dbraw/zinc/55/95/22/551559522.db2.gz PULZBVJTZVYAIL-UHFFFAOYSA-N 1 0 388.942 2.680 20 0 GFADRO Cc1cnc(CCN(C)C(=O)NCC2([NH+]3CCSCC3)CCCC2)s1 ZINC000159296750 551562949 /nfs/dbraw/zinc/56/29/49/551562949.db2.gz XTECJJNRKVIXMF-UHFFFAOYSA-N 1 0 382.599 2.997 20 0 GFADRO C[C@@H](Cc1ccccc1Br)NC(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000161591508 551596464 /nfs/dbraw/zinc/59/64/64/551596464.db2.gz WNDDRXFIVDMKPJ-ZDUSSCGKSA-N 1 0 394.317 2.960 20 0 GFADRO NC(=O)[C@@H]([NH2+]CCc1ccc2c(c1)OCCO2)c1cccc(Br)c1 ZINC000161813806 551598888 /nfs/dbraw/zinc/59/88/88/551598888.db2.gz PVDLKKCJMMNVBY-KRWDZBQOSA-N 1 0 391.265 2.579 20 0 GFADRO CC(C)[C@H]([NH3+])CCN(C)C(=O)[C@@H]1CCN(c2ccccc2Br)C1=O ZINC000162084417 551603083 /nfs/dbraw/zinc/60/30/83/551603083.db2.gz RLIXUEUYQCVGHE-DZGCQCFKSA-N 1 0 396.329 2.634 20 0 GFADRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)S(=O)(=O)c1cc(F)c(Br)cc1F ZINC000162705993 551611895 /nfs/dbraw/zinc/61/18/95/551611895.db2.gz ITMMXPRUYNIROY-ZANVPECISA-N 1 0 397.285 2.688 20 0 GFADRO Cc1cc(SCC(=O)N2CCO[C@@H]([C@@H](C)[NH3+])C2)c(C)cc1Br ZINC000163047333 551615520 /nfs/dbraw/zinc/61/55/20/551615520.db2.gz NUSCVDPIWBQUMM-TZMCWYRMSA-N 1 0 387.343 2.733 20 0 GFADRO Cc1cc(SCC(=O)N2CCO[C@@H]([C@H](C)[NH3+])C2)c(C)cc1Br ZINC000163047467 551615773 /nfs/dbraw/zinc/61/57/73/551615773.db2.gz NUSCVDPIWBQUMM-GXTWGEPZSA-N 1 0 387.343 2.733 20 0 GFADRO C[C@H]([NH2+]C[C@H]1CCN(CC(F)(F)F)C1)c1ccc(NS(C)(=O)=O)cc1 ZINC000163139624 551616698 /nfs/dbraw/zinc/61/66/98/551616698.db2.gz MJENWWNDBJSEOB-QWHCGFSZSA-N 1 0 379.448 2.593 20 0 GFADRO COC1CCN(CC[NH2+][C@@H](C)CC(=O)Nc2cccc(Br)c2)CC1 ZINC000163630388 551621298 /nfs/dbraw/zinc/62/12/98/551621298.db2.gz NPALAOJUOMDUOR-AWEZNQCLSA-N 1 0 398.345 2.867 20 0 GFADRO CNC(=O)[C@H](CC(C)C)[NH2+][C@H](C)CC(=O)Nc1ccc(Br)cc1 ZINC000163741048 551621922 /nfs/dbraw/zinc/62/19/22/551621922.db2.gz HSUGYBVSGPMJDV-DOMZBBRYSA-N 1 0 384.318 2.917 20 0 GFADRO O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000164930694 551627901 /nfs/dbraw/zinc/62/79/01/551627901.db2.gz HVGUNXKVKMUDJV-YVEFUNNKSA-N 1 0 387.307 2.644 20 0 GFADRO C[NH+](C)[C@@H]1CCN(C(=O)NC[C@@H]2CCN(c3ccc(Br)cc3)C2)C1 ZINC000170832857 551640971 /nfs/dbraw/zinc/64/09/71/551640971.db2.gz MOVADAFNMGFEKY-WMLDXEAASA-N 1 0 395.345 2.621 20 0 GFADRO C[NH+](C)[C@H]1CCN(C(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CCCC2)C1 ZINC000170867419 551641489 /nfs/dbraw/zinc/64/14/89/551641489.db2.gz CGADCZNDASLFKI-HNNXBMFYSA-N 1 0 384.929 2.589 20 0 GFADRO COc1cccc([C@H](CNC(=O)c2ccc(Br)cn2)[NH+](C)C)c1 ZINC000171129738 551648047 /nfs/dbraw/zinc/64/80/47/551648047.db2.gz JPNVMZGYCHVTKI-INIZCTEOSA-N 1 0 378.270 2.885 20 0 GFADRO CC(C)(O)C[NH+]1CCN(Cc2cc(Br)ccc2OC(F)F)CC1 ZINC000171148232 551648693 /nfs/dbraw/zinc/64/86/93/551648693.db2.gz RIGKUSOMSJDNCQ-UHFFFAOYSA-N 1 0 393.272 2.939 20 0 GFADRO C[NH+](C)CCN1CCN(C(=O)c2csc(-c3ccccc3Cl)n2)CC1 ZINC000171214847 551650393 /nfs/dbraw/zinc/65/03/93/551650393.db2.gz ZPTZJMYZZFXABI-UHFFFAOYSA-N 1 0 378.929 2.783 20 0 GFADRO CC[NH+]1CCN(CCC(=O)N[C@@H](C)c2ccc(OC)c(Br)c2)CC1 ZINC000171237439 551651093 /nfs/dbraw/zinc/65/10/93/551651093.db2.gz APVDGUPDQJOESR-AWEZNQCLSA-N 1 0 398.345 2.663 20 0 GFADRO C[C@@H]1C[NH+](CCCNC(=O)c2[nH]nc3ccc(Br)cc32)C[C@@H](C)O1 ZINC000171771782 551663454 /nfs/dbraw/zinc/66/34/54/551663454.db2.gz TXAAXSPIIWNLHF-VXGBXAGGSA-N 1 0 395.301 2.555 20 0 GFADRO O=S(=O)(C(F)F)N1CCC(C[NH2+]Cc2ccc(Br)cc2)CC1 ZINC000171842300 551665076 /nfs/dbraw/zinc/66/50/76/551665076.db2.gz FIAPYLZABPDJAZ-UHFFFAOYSA-N 1 0 397.285 2.803 20 0 GFADRO FC(F)(F)COCCC[NH+]1CCN(Cc2ccc(Br)cn2)CC1 ZINC000171959852 551667597 /nfs/dbraw/zinc/66/75/97/551667597.db2.gz MCDUVRFKNGVIRK-UHFFFAOYSA-N 1 0 396.251 2.931 20 0 GFADRO CCOc1cc(C[NH2+]C[C@@](C)(O)CCOC)cc(Br)c1OC ZINC000172072426 551670300 /nfs/dbraw/zinc/67/03/00/551670300.db2.gz NTIRXURCVIZGGE-INIZCTEOSA-N 1 0 376.291 2.734 20 0 GFADRO C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)C1 ZINC000172292134 551675576 /nfs/dbraw/zinc/67/55/76/551675576.db2.gz WESWTGFMWSXECN-JTQLQIEISA-N 1 0 377.794 2.707 20 0 GFADRO O=C(c1n[nH]c2ccc(Br)cc21)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000172588976 551682537 /nfs/dbraw/zinc/68/25/37/551682537.db2.gz OUNHWIKTXFKZPA-GFCCVEGCSA-N 1 0 377.286 2.883 20 0 GFADRO NC(=O)[C@H]1CCC[C@H]([NH2+]Cc2nc(-c3ccc(Br)cc3)c[nH]2)C1 ZINC000172634042 551683687 /nfs/dbraw/zinc/68/36/87/551683687.db2.gz FCXIYTCUTLOMTB-JSGCOSHPSA-N 1 0 377.286 2.973 20 0 GFADRO CN1CCC([NH+]2CCC(NC(=O)c3ccc(F)c(Br)c3)CC2)CC1 ZINC000172929630 551690366 /nfs/dbraw/zinc/69/03/66/551690366.db2.gz TZKGDTODZVICDN-UHFFFAOYSA-N 1 0 398.320 2.877 20 0 GFADRO C[C@@H]([NH3+])C1CCN(C(=O)C(=O)Nc2cc(Cl)cc(Br)c2)CC1 ZINC000415392747 563772041 /nfs/dbraw/zinc/77/20/41/563772041.db2.gz YHWMJELBDPFJLQ-SECBINFHSA-N 1 0 388.693 2.627 20 0 GFADRO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)Nc1ccc(Br)c(C(F)(F)F)c1 ZINC000415433626 563775459 /nfs/dbraw/zinc/77/54/59/563775459.db2.gz GZWWERRQJKQPEG-NSHDSACASA-N 1 0 396.207 2.506 20 0 GFADRO C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)Nc1cc(F)cc(F)c1Br ZINC000415553381 563784636 /nfs/dbraw/zinc/78/46/36/563784636.db2.gz FZLRQFODUBMVTJ-RDDDGLTNSA-N 1 0 378.217 2.962 20 0 GFADRO Cc1ccc(S(=O)(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)c(Br)c1 ZINC000173242912 552080633 /nfs/dbraw/zinc/08/06/33/552080633.db2.gz WSDLBWPDRNJWRE-GXTWGEPZSA-N 1 0 375.332 2.718 20 0 GFADRO CC[NH+]1CCC(CCNS(=O)(=O)c2cccc(Br)c2)CC1 ZINC000173515076 552087385 /nfs/dbraw/zinc/08/73/85/552087385.db2.gz RFJAFLCLZJXWKQ-UHFFFAOYSA-N 1 0 375.332 2.849 20 0 GFADRO CCC[N@H+](C)C[C@H]1CCN(S(=O)(=O)c2ccccc2OC(F)(F)F)C1 ZINC000173948160 552095783 /nfs/dbraw/zinc/09/57/83/552095783.db2.gz UBICGEXHRNMCBS-CYBMUJFWSA-N 1 0 380.432 2.938 20 0 GFADRO CC(C)OCC[NH+]1CCN(C[C@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000173960800 552095787 /nfs/dbraw/zinc/09/57/87/552095787.db2.gz HKUOOHXLSGSTRH-INIZCTEOSA-N 1 0 391.339 2.776 20 0 GFADRO CC(C)OCC[NH+]1CCN(CCC(=O)Nc2cccc(Br)c2)CC1 ZINC000173960482 552095908 /nfs/dbraw/zinc/09/59/08/552095908.db2.gz BAPCLNZVFFXLFB-UHFFFAOYSA-N 1 0 398.345 2.820 20 0 GFADRO CC[C@@H](CO)[NH+]1CCN(Cc2ncc(-c3ccccc3Br)o2)CC1 ZINC000174131039 552100219 /nfs/dbraw/zinc/10/02/19/552100219.db2.gz CCKZEIVWGXJNQA-AWEZNQCLSA-N 1 0 394.313 2.993 20 0 GFADRO O=C(/C=C/c1cc(Br)ccc1F)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000174162445 552100850 /nfs/dbraw/zinc/10/08/50/552100850.db2.gz KJDXRRGBRUFAAM-KHZFFFCDSA-N 1 0 397.288 2.782 20 0 GFADRO O=C(CSc1nc2ccccc2s1)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000174195362 552101712 /nfs/dbraw/zinc/10/17/12/552101712.db2.gz DGYKXCGSXVNWHG-AWEZNQCLSA-N 1 0 377.535 2.569 20 0 GFADRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2cc(Br)c3c(c2)OCCO3)C1 ZINC000174542532 552106291 /nfs/dbraw/zinc/10/62/91/552106291.db2.gz QUIFHTXQEIKEPF-GFCCVEGCSA-N 1 0 383.286 2.634 20 0 GFADRO C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000174698199 552108606 /nfs/dbraw/zinc/10/86/06/552108606.db2.gz MDUUMNWTBZKPSM-XQQFMLRXSA-N 1 0 384.307 2.807 20 0 GFADRO COC(=O)C[C@@H]1CSCC[N@@H+]1CCc1nc(-c2cccc(Cl)c2)no1 ZINC000174733811 552109174 /nfs/dbraw/zinc/10/91/74/552109174.db2.gz JIDVNOBJQNHKNJ-CQSZACIVSA-N 1 0 381.885 2.913 20 0 GFADRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)Nc1ccc(Br)c(F)c1 ZINC000174909272 552112667 /nfs/dbraw/zinc/11/26/67/552112667.db2.gz UCXMFFPUFQZLMU-GFCCVEGCSA-N 1 0 386.265 2.517 20 0 GFADRO Cc1cc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](CC(N)=O)C2)ccc1Br ZINC000175224516 552118572 /nfs/dbraw/zinc/11/85/72/552118572.db2.gz CGXGRQKVIADGSD-QWHCGFSZSA-N 1 0 382.302 2.672 20 0 GFADRO O[C@@H](COc1cc(Cl)ccc1Cl)CN1CC[NH+](C2CCOCC2)CC1 ZINC000175482902 552122997 /nfs/dbraw/zinc/12/29/97/552122997.db2.gz QHHXHVPJVSNZAM-MRXNPFEDSA-N 1 0 389.323 2.530 20 0 GFADRO C[NH+]1CCN([C@H]2CCCCN(C(=O)[C@@H]3SCCc4sccc43)C2)CC1 ZINC000175999704 552133863 /nfs/dbraw/zinc/13/38/63/552133863.db2.gz QELUXFLBGKPIKW-MAUKXSAKSA-N 1 0 379.595 2.707 20 0 GFADRO C[N@H+](CCNC(=O)C(=O)Nc1nc(-c2cccs2)cs1)C1CCCC1 ZINC000176042378 552134988 /nfs/dbraw/zinc/13/49/88/552134988.db2.gz RLWZLCWFTDQRCY-UHFFFAOYSA-N 1 0 378.523 2.801 20 0 GFADRO Cc1ccc(C(=O)N2CCC(C[NH+]3CCOCC3)CC2)cc1Br ZINC000176569758 552142055 /nfs/dbraw/zinc/14/20/55/552142055.db2.gz KTKJZTHELKWZBV-UHFFFAOYSA-N 1 0 381.314 2.942 20 0 GFADRO O=C(c1cc2c(cccc2Br)[nH]1)N1CC[NH+](C2CCOCC2)CC1 ZINC000176825693 552146943 /nfs/dbraw/zinc/14/69/43/552146943.db2.gz RJUCJIJPCIMCAV-UHFFFAOYSA-N 1 0 392.297 2.867 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)c2cc(=O)[nH]c3c(Br)cccc23)C1 ZINC000177725299 552157795 /nfs/dbraw/zinc/15/77/95/552157795.db2.gz KLLARYLIULZDKS-NWDGAFQWSA-N 1 0 392.297 2.893 20 0 GFADRO CC[C@@H](C)C[N@H+](CC)CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000177849710 552160088 /nfs/dbraw/zinc/16/00/88/552160088.db2.gz CBMKPXZJZFFWRG-CYBMUJFWSA-N 1 0 389.949 2.897 20 0 GFADRO C[C@@H]([NH2+]CC1CCN(S(=O)(=O)C(F)(F)F)CC1)c1cccnc1Cl ZINC000178107586 552164321 /nfs/dbraw/zinc/16/43/21/552164321.db2.gz XKWBFSSMEMZRID-SNVBAGLBSA-N 1 0 385.839 2.947 20 0 GFADRO CC(C)n1cc(Br)cc1C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000178103539 552164446 /nfs/dbraw/zinc/16/44/46/552164446.db2.gz ZSBFCRRZAPKFMJ-AWEZNQCLSA-N 1 0 384.318 2.626 20 0 GFADRO C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000178123362 552164549 /nfs/dbraw/zinc/16/45/49/552164549.db2.gz BOVISXRWAPDUSE-ZIAGYGMSSA-N 1 0 387.307 2.941 20 0 GFADRO COCC[NH2+]CC(=O)N[C@H](c1ccccc1)c1ccc(Br)cc1 ZINC000178456296 552170669 /nfs/dbraw/zinc/17/06/69/552170669.db2.gz GAMDVPFHRKMUSO-GOSISDBHSA-N 1 0 377.282 2.891 20 0 GFADRO CC[NH+]1CCC(CCNS(=O)(=O)c2cc(Cl)ccc2C(=O)OC)CC1 ZINC000178811500 552176065 /nfs/dbraw/zinc/17/60/65/552176065.db2.gz QDGMCOOZPHVICX-UHFFFAOYSA-N 1 0 388.917 2.527 20 0 GFADRO O=C(NC1CCN(Cc2ccc(Br)cc2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000178856264 552177202 /nfs/dbraw/zinc/17/72/02/552177202.db2.gz SWOUVSKGUTYGIO-OAHLLOKOSA-N 1 0 380.330 2.529 20 0 GFADRO CCCN(C(=O)c1nn(-c2ccc(F)cc2)cc1Br)[C@H]1CC[NH2+]C1 ZINC000178921476 552179342 /nfs/dbraw/zinc/17/93/42/552179342.db2.gz WVPMJHPRZZMPMC-AWEZNQCLSA-N 1 0 395.276 2.988 20 0 GFADRO O=C(Cc1cc(F)ccc1Br)N1CC[NH+](CC2CCOCC2)CC1 ZINC000178925800 552179739 /nfs/dbraw/zinc/17/97/39/552179739.db2.gz XFZPYLXCXDSRPQ-UHFFFAOYSA-N 1 0 399.304 2.702 20 0 GFADRO COc1ccc(Br)cc1S(=O)(=O)N[C@]1(C[NH3+])CCCC[C@@H]1C ZINC000178980429 552181134 /nfs/dbraw/zinc/18/11/34/552181134.db2.gz HDBTUCGAXZCUMO-NHYWBVRUSA-N 1 0 391.331 2.644 20 0 GFADRO CN(C(=O)c1ccc(NC(=O)CSc2cccs2)cc1)[C@H]1CC[NH2+]C1 ZINC000179063465 552183472 /nfs/dbraw/zinc/18/34/72/552183472.db2.gz UXBKRMUWLABAQD-HNNXBMFYSA-N 1 0 375.519 2.913 20 0 GFADRO Cc1ccc(OC(F)F)c(C[NH2+]CCNS(=O)(=O)c2cccs2)c1 ZINC000179087729 552183716 /nfs/dbraw/zinc/18/37/16/552183716.db2.gz LNWMVXYERHHEGE-UHFFFAOYSA-N 1 0 376.450 2.726 20 0 GFADRO O=C(NCc1ccc(Cl)s1)NC[C@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1 ZINC000179173604 552186272 /nfs/dbraw/zinc/18/62/72/552186272.db2.gz XVIVPQQQXTWFTD-HUUCEWRRSA-N 1 0 379.913 2.836 20 0 GFADRO NC(=O)[C@@H](c1cccc(Br)c1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000179334011 552189952 /nfs/dbraw/zinc/18/99/52/552189952.db2.gz JHBZXXJWBMEHPB-QGZVFWFLSA-N 1 0 380.330 2.926 20 0 GFADRO CC(C)c1nn(-c2ccc(Br)cc2)cc1C[NH2+]C[C@]1(O)CCOC1 ZINC000179328031 552189972 /nfs/dbraw/zinc/18/99/72/552189972.db2.gz SVWAQRTXFHIALC-GOSISDBHSA-N 1 0 394.313 2.999 20 0 GFADRO O=C(NCCC[NH+]1CCCCC1)c1ccc(Br)cc1-n1cncn1 ZINC000179353897 552190681 /nfs/dbraw/zinc/19/06/81/552190681.db2.gz ZVJMQNQDVJIEDQ-UHFFFAOYSA-N 1 0 392.301 2.636 20 0 GFADRO COc1cc(Br)c(C[N@H+](C)C[C@H]2CCN(C(C)=O)C2)cc1OC ZINC000179450893 552194007 /nfs/dbraw/zinc/19/40/07/552194007.db2.gz MBQMDBZDZNIJJT-CYBMUJFWSA-N 1 0 385.302 2.767 20 0 GFADRO CCC[N@H+](Cc1cn(C)c(=O)n(C)c1=O)[C@H](C)c1ccccc1Br ZINC000179457476 552194172 /nfs/dbraw/zinc/19/41/72/552194172.db2.gz GZYHZKVNVPBNBR-CYBMUJFWSA-N 1 0 394.313 2.820 20 0 GFADRO C[C@H]([NH2+]CCS(=O)(=O)c1cccc(Br)c1)C1CCOCC1 ZINC000179843656 552205166 /nfs/dbraw/zinc/20/51/66/552205166.db2.gz GVSRFEQVZMHOMD-LBPRGKRZSA-N 1 0 376.316 2.628 20 0 GFADRO CC[NH+](CC)C[C@@H]1CCN(S(=O)(=O)c2nc(C)c(Br)s2)C1 ZINC000180095264 552212721 /nfs/dbraw/zinc/21/27/21/552212721.db2.gz XRFSRSBFLQOAAT-NSHDSACASA-N 1 0 396.376 2.566 20 0 GFADRO COc1cc(/C=C/C(=O)N2CC[C@@H]3CC[C@H](C2)[N@@H+]3C)cc(Br)c1O ZINC000180104661 552213489 /nfs/dbraw/zinc/21/34/89/552213489.db2.gz VPCWSPGSUBZKAP-DZYGNGBISA-N 1 0 395.297 2.872 20 0 GFADRO O[C@]1(C[NH2+]C2CCN(Cc3ccccc3Br)CC2)CCSC1 ZINC000180268306 552219792 /nfs/dbraw/zinc/21/97/92/552219792.db2.gz ZOKHGXJJYUFEAZ-KRWDZBQOSA-N 1 0 385.371 2.871 20 0 GFADRO COc1nc(N2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)ncc1Br ZINC000180434252 552225538 /nfs/dbraw/zinc/22/55/38/552225538.db2.gz OGBMLSLUEQBAMZ-BETUJISGSA-N 1 0 399.333 2.573 20 0 GFADRO CS(=O)(=O)NCCC[NH2+]Cc1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000180899135 552239312 /nfs/dbraw/zinc/23/93/12/552239312.db2.gz OWYCAOBSDVWRDE-UHFFFAOYSA-N 1 0 376.400 2.994 20 0 GFADRO C[C@]1(C(=O)N2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)CCCC[NH2+]1 ZINC000180914886 552239880 /nfs/dbraw/zinc/23/98/80/552239880.db2.gz NRPJDSPBJWWEMZ-GOSISDBHSA-N 1 0 384.307 2.810 20 0 GFADRO C[C@@]1(C(=O)N2CCN(C(=O)c3cccc(Cl)c3Cl)CC2)CCCC[NH2+]1 ZINC000180919829 552239953 /nfs/dbraw/zinc/23/99/53/552239953.db2.gz MHZKFMXLASWDOZ-SFHVURJKSA-N 1 0 384.307 2.810 20 0 GFADRO Cc1nc(Br)ccc1NC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000181337488 552253289 /nfs/dbraw/zinc/25/32/89/552253289.db2.gz ADFWYTQMNHZKPD-ZDUSSCGKSA-N 1 0 397.317 2.775 20 0 GFADRO C[C@@H]1C[C@H](NCc2ccc(Br)cc2N2CCOCC2)CC[N@@H+]1C ZINC000181458939 552257220 /nfs/dbraw/zinc/25/72/20/552257220.db2.gz OSAXTBYUFPHKPT-RHSMWYFYSA-N 1 0 382.346 2.858 20 0 GFADRO CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]C[C@@H](O)CS(=O)(=O)c1cccs1 ZINC000181640135 552263488 /nfs/dbraw/zinc/26/34/88/552263488.db2.gz WNDVFQXNXUXBOD-SJORKVTESA-N 1 0 385.526 2.879 20 0 GFADRO CCc1nc2c(s1)[C@H]([NH2+]C[C@H](O)CS(=O)(=O)c1cccs1)CCC2 ZINC000181642412 552264223 /nfs/dbraw/zinc/26/42/23/552264223.db2.gz VTAOYVFTZPLRDN-NWDGAFQWSA-N 1 0 386.564 2.569 20 0 GFADRO CC1CC[NH+](CCCNS(=O)(=O)c2ccc(OCC(F)F)cc2)CC1 ZINC000181669747 552264754 /nfs/dbraw/zinc/26/47/54/552264754.db2.gz TVTVSNHJYCEHQQ-UHFFFAOYSA-N 1 0 376.469 2.731 20 0 GFADRO C[C@@H]([NH2+][C@@H](C)Cn1cc(Br)cn1)c1ccc(-n2ccnn2)cc1 ZINC000181747281 552266987 /nfs/dbraw/zinc/26/69/87/552266987.db2.gz CXJRTHUCNKXRHI-QWHCGFSZSA-N 1 0 375.274 2.966 20 0 GFADRO C[NH+](C)CC(C)(C)CNC(=O)C(=O)Nc1ccc(Cl)c(OC(F)F)c1 ZINC000181821516 552268085 /nfs/dbraw/zinc/26/80/85/552268085.db2.gz LCDMNGHTJZSHNH-UHFFFAOYSA-N 1 0 377.819 2.584 20 0 GFADRO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1ccc(Cl)c(OC(F)F)c1 ZINC000181825940 552268564 /nfs/dbraw/zinc/26/85/64/552268564.db2.gz OULBADLYLCWVEA-JTQLQIEISA-N 1 0 377.819 2.726 20 0 GFADRO CC[C@H]([NH2+]CC(=O)Nc1ccccc1I)[C@@H]1CCCO1 ZINC000182316769 552280815 /nfs/dbraw/zinc/28/08/15/552280815.db2.gz INBLBPMOAJLBHH-JSGCOSHPSA-N 1 0 388.249 2.777 20 0 GFADRO CC(C)[C@@H]([NH2+]CCCc1ccccc1Br)C(=O)N1CCOCC1 ZINC000182437441 552284218 /nfs/dbraw/zinc/28/42/18/552284218.db2.gz ZKHVDTGRRYICCP-QGZVFWFLSA-N 1 0 383.330 2.855 20 0 GFADRO C[C@@H](CC(=O)OC(C)(C)C)[NH2+]CCNC(=O)c1ccc(Br)cc1 ZINC000182567750 552287555 /nfs/dbraw/zinc/28/75/55/552287555.db2.gz BWDFFZNKVNVMJB-LBPRGKRZSA-N 1 0 385.302 2.889 20 0 GFADRO COC(=O)c1cc(NC(=O)N2CC[C@H]([NH+]3CCCC3)C2)ccc1Br ZINC000182625265 552288933 /nfs/dbraw/zinc/28/89/33/552288933.db2.gz FIHJNTJVSZHWJV-ZDUSSCGKSA-N 1 0 396.285 2.938 20 0 GFADRO CCC[NH+]1CCN(C(=O)Nc2ccc(Br)c(C(=O)OC)c2)CC1 ZINC000182633392 552289617 /nfs/dbraw/zinc/28/96/17/552289617.db2.gz UQYLMDUAYHIGIP-UHFFFAOYSA-N 1 0 384.274 2.795 20 0 GFADRO CN(CC[C@@H]1CCCC[N@@H+]1C)S(=O)(=O)c1ccc(OCC(F)F)cc1 ZINC000182708131 552291104 /nfs/dbraw/zinc/29/11/04/552291104.db2.gz WSGXKCZLXMARFX-AWEZNQCLSA-N 1 0 376.469 2.825 20 0 GFADRO CN(C)C(=O)N1CCC([NH2+][C@@H]2CCN(c3ccccc3Br)C2)CC1 ZINC000182955506 552296653 /nfs/dbraw/zinc/29/66/53/552296653.db2.gz HSXKNXQFBQCVFX-OAHLLOKOSA-N 1 0 395.345 2.763 20 0 GFADRO CCS(=O)(=O)C[C@H](C)[NH2+][C@@H]1CCCN(Cc2ccc(F)cc2Cl)C1 ZINC000182941347 552296768 /nfs/dbraw/zinc/29/67/68/552296768.db2.gz OHMMXGSUBLVRJS-XJKSGUPXSA-N 1 0 376.925 2.856 20 0 GFADRO C[S@@](=O)C[C@H]([NH2+]C[C@H](O)COCc1ccc(Cl)cc1)c1ccccc1 ZINC000183101919 552300543 /nfs/dbraw/zinc/30/05/43/552300543.db2.gz HVRZJWBRILYEOY-XHNVNVPESA-N 1 0 381.925 2.927 20 0 GFADRO COc1ccc(Br)cc1C[NH2+][C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000183198016 552302554 /nfs/dbraw/zinc/30/25/54/552302554.db2.gz DHRJROQVHSVEGN-UKRRQHHQSA-N 1 0 376.316 2.903 20 0 GFADRO O=C(Nc1ccc(Br)cn1)C1CC[NH+](CCCn2ccnc2)CC1 ZINC000183188161 552302602 /nfs/dbraw/zinc/30/26/02/552302602.db2.gz WKWWBDBOJZHVCF-UHFFFAOYSA-N 1 0 392.301 2.781 20 0 GFADRO Cc1[nH]cc(C(=O)N2CCC(C[NH+]3CCCC3)CC2)c(=O)c1Br ZINC000183215361 552303285 /nfs/dbraw/zinc/30/32/85/552303285.db2.gz RIDSQERDTGUMNI-UHFFFAOYSA-N 1 0 382.302 2.806 20 0 GFADRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)NCCOc2ncc(Cl)cc2Cl)C1 ZINC000183309556 552305708 /nfs/dbraw/zinc/30/57/08/552305708.db2.gz VNZNHUKOGDXBIP-DOMZBBRYSA-N 1 0 387.311 2.893 20 0 GFADRO Cc1oc(-c2ccc(Cl)c(Cl)c2)nc1C(=O)NC[C@](C)(O)C[NH+](C)C ZINC000183309861 552305795 /nfs/dbraw/zinc/30/57/95/552305795.db2.gz DZSGRMIZSXNCCV-KRWDZBQOSA-N 1 0 386.279 2.999 20 0 GFADRO C[NH+](C)C[C@@H]1CN(C(=O)Cc2cc(Cl)c(Br)cc2F)CCO1 ZINC000416168529 563807897 /nfs/dbraw/zinc/80/78/97/563807897.db2.gz YQBKMQWMESENQV-LLVKDONJSA-N 1 0 393.684 2.573 20 0 GFADRO C[NH+]1CCC(CNC(=O)c2ncc(Br)cc2Br)CC1 ZINC000183492089 552311353 /nfs/dbraw/zinc/31/13/53/552311353.db2.gz IKRCEQOVXKXSDH-UHFFFAOYSA-N 1 0 391.107 2.678 20 0 GFADRO CN(Cc1ccccc1Br)C(=O)C[NH2+][C@@H](CO)c1ccccc1 ZINC000183664880 552316379 /nfs/dbraw/zinc/31/63/79/552316379.db2.gz UEPUPPNWULPUJW-KRWDZBQOSA-N 1 0 377.282 2.731 20 0 GFADRO C[C@H](CS(C)(=O)=O)[NH2+]C1CCN(Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000184084188 552327651 /nfs/dbraw/zinc/32/76/51/552327651.db2.gz UTLPOCLHTKZYQH-GFCCVEGCSA-N 1 0 379.353 2.981 20 0 GFADRO CC(C)c1nn(-c2ccc(Br)cc2)cc1C[NH2+][C@@]1(CO)CCOC1 ZINC000184189521 552328942 /nfs/dbraw/zinc/32/89/42/552328942.db2.gz NZBKWCYRWREIJD-GOSISDBHSA-N 1 0 394.313 2.999 20 0 GFADRO CN1CC[NH+](CCC(C)(C)NC(=O)Cc2cccc(Br)c2)CC1 ZINC000184215601 552329940 /nfs/dbraw/zinc/32/99/40/552329940.db2.gz FBTBSWUVYUQILU-UHFFFAOYSA-N 1 0 382.346 2.524 20 0 GFADRO C[C@H](C(=O)N[C@@H](C)CC[NH+]1CCN(C)CC1)c1ccc(Br)s1 ZINC000184349969 552333169 /nfs/dbraw/zinc/33/31/69/552333169.db2.gz IZDWXAXBMHUCOZ-STQMWFEESA-N 1 0 388.375 2.756 20 0 GFADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)Nc1ccc(Cl)cc1OC(F)F ZINC000184378079 552333881 /nfs/dbraw/zinc/33/38/81/552333881.db2.gz IOMGOBZXTFZMDF-NSHDSACASA-N 1 0 376.835 2.699 20 0 GFADRO CCN(C(=O)C[NH2+][C@H](C)c1cc2ccccc2s1)[C@@H]1CCS(=O)(=O)C1 ZINC000184378109 552334253 /nfs/dbraw/zinc/33/42/53/552334253.db2.gz LGMVDWRVWMRXMS-UKRRQHHQSA-N 1 0 380.535 2.588 20 0 GFADRO CCN(CCO)CC[NH2+]Cc1cc(Br)cc(C)c1OC(F)F ZINC000184541158 552337999 /nfs/dbraw/zinc/33/79/99/552337999.db2.gz FXLQLYJQHNQQKX-UHFFFAOYSA-N 1 0 381.261 2.763 20 0 GFADRO Brc1cnc2c(c1)nccc2N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000184576036 552339251 /nfs/dbraw/zinc/33/92/51/552339251.db2.gz IZVPMUBXPOEPOZ-CYBMUJFWSA-N 1 0 377.286 2.551 20 0 GFADRO Cc1nn(C)cc1C[NH2+][C@H]1CCN(c2ccc(Br)c(C)c2)C1=O ZINC000185189291 552356962 /nfs/dbraw/zinc/35/69/62/552356962.db2.gz UCCFJPCYSZBWOI-INIZCTEOSA-N 1 0 377.286 2.695 20 0 GFADRO C[NH+]1CCN(CCC(C)(C)NS(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC000185436510 552363236 /nfs/dbraw/zinc/36/32/36/552363236.db2.gz WLOXMSAVGPICTN-UHFFFAOYSA-N 1 0 394.368 2.688 20 0 GFADRO CC[C@H]1[C@@H](C)CC[N@@H+]1CC(=O)NCC(=O)Nc1ccccc1Br ZINC000185585101 552366989 /nfs/dbraw/zinc/36/69/89/552366989.db2.gz GHVLSLXUPUTZJI-WFASDCNBSA-N 1 0 382.302 2.624 20 0 GFADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)NCCc1cc(Cl)cc(Cl)c1 ZINC000185624433 552367345 /nfs/dbraw/zinc/36/73/45/552367345.db2.gz LEWXMGXMDPWFCB-AWEZNQCLSA-N 1 0 387.355 2.861 20 0 GFADRO C/C=C/C[C@@H](CO)[NH2+]Cc1cc(I)c(OC)c(OC)c1 ZINC000185827465 552371279 /nfs/dbraw/zinc/37/12/79/552371279.db2.gz FXJZKIUCOYCRPY-ITKZLYELSA-N 1 0 391.249 2.725 20 0 GFADRO Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+]CCCNC(=O)c2cccs2)cc1 ZINC000186031886 552377535 /nfs/dbraw/zinc/37/75/35/552377535.db2.gz UOGLHXPEQOROHD-HNNXBMFYSA-N 1 0 380.535 2.628 20 0 GFADRO CC[NH+]1CCN(CCC(=O)NCc2cc3cc(Br)ccc3[nH]2)CC1 ZINC000186053380 552377705 /nfs/dbraw/zinc/37/77/05/552377705.db2.gz BGIZJLOJYVHWLJ-UHFFFAOYSA-N 1 0 393.329 2.574 20 0 GFADRO C[NH+](C)CCNC(=O)NCc1cc(Br)ccc1Br ZINC000186155443 552380739 /nfs/dbraw/zinc/38/07/39/552380739.db2.gz UOHMCYLIRRQUNX-UHFFFAOYSA-N 1 0 379.096 2.572 20 0 GFADRO CCOC(=O)c1nn(C)cc1C[NH2+]CCc1cc(Br)ccc1F ZINC000186327312 552385388 /nfs/dbraw/zinc/38/53/88/552385388.db2.gz IXRXXIOVKBWDOD-UHFFFAOYSA-N 1 0 384.249 2.831 20 0 GFADRO C[C@H](C[NH+]1CCCCCC1)NC(=O)C(=O)Nc1ccccc1Br ZINC000186653527 552393533 /nfs/dbraw/zinc/39/35/33/552393533.db2.gz IBNMFXWGEMUZKM-CYBMUJFWSA-N 1 0 382.302 2.768 20 0 GFADRO CN(CC[N@H+](C)C1CC1)C(=O)c1cnn(-c2ccc(Br)cc2)c1 ZINC000186750448 552396385 /nfs/dbraw/zinc/39/63/85/552396385.db2.gz MKPTWDVZLWOEIX-UHFFFAOYSA-N 1 0 377.286 2.801 20 0 GFADRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)COc1cc(Cl)ccc1Cl ZINC000186948434 552402529 /nfs/dbraw/zinc/40/25/29/552402529.db2.gz XLXWXPHGOJUPIH-LBPRGKRZSA-N 1 0 375.296 2.676 20 0 GFADRO O=C(NCCCOc1ccc(Cl)cc1Cl)NCC[N@@H+]1CCCOCC1 ZINC000187063384 552405848 /nfs/dbraw/zinc/40/58/48/552405848.db2.gz ONUAGYCWOKDUCX-UHFFFAOYSA-N 1 0 390.311 2.784 20 0 GFADRO CCC[N@@H+]1CC[C@H](CNC(=O)NCc2ccc(Br)cc2OC)C1 ZINC000187071577 552406099 /nfs/dbraw/zinc/40/60/99/552406099.db2.gz QURDTNJPGSNJIX-CYBMUJFWSA-N 1 0 384.318 2.989 20 0 GFADRO CSc1ccccc1S(=O)(=O)NCc1ccccc1OCC[NH+](C)C ZINC000187102951 552406679 /nfs/dbraw/zinc/40/66/79/552406679.db2.gz RQVDXPZOPAJUJT-UHFFFAOYSA-N 1 0 380.535 2.827 20 0 GFADRO CCOCCC[N@@H+]1CC[C@@H](NS(=O)(=O)c2ccccc2SC)[C@H](C)C1 ZINC000187228888 552409804 /nfs/dbraw/zinc/40/98/04/552409804.db2.gz GBJDQJQMJKKNSL-HZPDHXFCSA-N 1 0 386.583 2.824 20 0 GFADRO C[C@H](NC(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C)c1cccc(Br)c1 ZINC000187378812 552414032 /nfs/dbraw/zinc/41/40/32/552414032.db2.gz HBGVUKIQHTUOLJ-KGLIPLIRSA-N 1 0 398.345 2.997 20 0 GFADRO COC(=O)[C@H]1C[C@@H](O)CN1Cc1ccc(-c2cccc(Br)c2)o1 ZINC000187574551 552419348 /nfs/dbraw/zinc/41/93/48/552419348.db2.gz CZZXRHZFGCWMAS-UKRRQHHQSA-N 1 0 380.238 2.817 20 0 GFADRO Cc1ccc(Br)cc1CNC(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000187660758 552421307 /nfs/dbraw/zinc/42/13/07/552421307.db2.gz WEJUUIBYRDYMAC-UHFFFAOYSA-N 1 0 398.345 2.746 20 0 GFADRO Cc1ccc(Br)cc1CNC(=O)N[C@@H](C)CC[NH+]1CCN(C)CC1 ZINC000187734931 552423077 /nfs/dbraw/zinc/42/30/77/552423077.db2.gz BIBOPPQLRZMPKF-HNNXBMFYSA-N 1 0 397.361 2.583 20 0 GFADRO Cc1cc(Br)cc(NC(=O)C(=O)NCCC[NH+]2CCC(C)CC2)c1 ZINC000188052860 552433000 /nfs/dbraw/zinc/43/30/00/552433000.db2.gz ZDIAVWOGSGKPPO-UHFFFAOYSA-N 1 0 396.329 2.934 20 0 GFADRO Cc1cc(Br)cc(NC(=O)C(=O)NCC[NH+](C(C)C)C(C)C)c1 ZINC000188048475 552433026 /nfs/dbraw/zinc/43/30/26/552433026.db2.gz BUHKPJOOGXFMAV-UHFFFAOYSA-N 1 0 384.318 2.931 20 0 GFADRO CCS(=O)(=O)N(C)CCC[NH2+][C@@H](C)Cc1ccc(Br)cc1 ZINC000188124554 552436148 /nfs/dbraw/zinc/43/61/48/552436148.db2.gz KZYZGCHJAJOJPH-ZDUSSCGKSA-N 1 0 377.348 2.641 20 0 GFADRO COC(=O)c1ccc(Cl)cc1S(=O)(=O)N[C@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000188228620 552439875 /nfs/dbraw/zinc/43/98/75/552439875.db2.gz RAQSCYRTAGNKJM-QWHCGFSZSA-N 1 0 388.917 2.525 20 0 GFADRO CC(C)[C@@H]([NH2+][C@@H](C)Cc1ccc(Br)cc1)C(=O)N1CCOCC1 ZINC000188238862 552440126 /nfs/dbraw/zinc/44/01/26/552440126.db2.gz SVTKJPAZBLCUSX-WMLDXEAASA-N 1 0 383.330 2.853 20 0 GFADRO O=C(NCC[N@@H+]1CCCOCC1)Nc1ccc(Br)c(Cl)c1 ZINC000188505229 552446742 /nfs/dbraw/zinc/44/67/42/552446742.db2.gz WJUVWNFIRAQOSE-UHFFFAOYSA-N 1 0 376.682 2.946 20 0 GFADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)S(=O)(=O)c1ccco1 ZINC000188629753 552449990 /nfs/dbraw/zinc/44/99/90/552449990.db2.gz UYXALVFVKWMXIE-UHFFFAOYSA-N 1 0 387.299 2.795 20 0 GFADRO Cc1cc(C(=O)N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)c(C)cc1Br ZINC000188722556 552453294 /nfs/dbraw/zinc/45/32/94/552453294.db2.gz YXMRNFHGAAJZGQ-AWEZNQCLSA-N 1 0 383.330 2.983 20 0 GFADRO O[C@@H]1CCC[C@H](C[NH2+]Cc2ccc(Br)cc2N2CCOCC2)C1 ZINC000188744174 552453727 /nfs/dbraw/zinc/45/37/27/552453727.db2.gz AUNJEECSHIEYDC-WMLDXEAASA-N 1 0 383.330 2.926 20 0 GFADRO COc1sc(CN2CC[N@H+](CC(C)(C)O)C[C@H]2C)cc1Br ZINC000188745335 552454047 /nfs/dbraw/zinc/45/40/47/552454047.db2.gz ZJKQWSAHJXLKBY-LLVKDONJSA-N 1 0 377.348 2.796 20 0 GFADRO C[C@H]([NH2+]CCOCC(F)F)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000188755385 552454685 /nfs/dbraw/zinc/45/46/85/552454685.db2.gz IWWUROJLBCLJII-AWEZNQCLSA-N 1 0 376.469 2.794 20 0 GFADRO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)N1CC[NH+]2CCC1CC2 ZINC000188851221 552457032 /nfs/dbraw/zinc/45/70/32/552457032.db2.gz OVPPKBCUMBVFIK-UHFFFAOYSA-N 1 0 391.265 2.784 20 0 GFADRO COCC[N@H+](C)CCCNC(=O)Nc1cc(Br)c(F)cc1F ZINC000189066193 552461830 /nfs/dbraw/zinc/46/18/30/552461830.db2.gz XAVGVVRCHGUCSH-UHFFFAOYSA-N 1 0 380.233 2.817 20 0 GFADRO Fc1cc(Br)cc(OCCN2CC[NH+](C[C@@H]3CCOC3)CC2)c1 ZINC000189084539 552462306 /nfs/dbraw/zinc/46/23/06/552462306.db2.gz DJUCDKGPTFUBIW-AWEZNQCLSA-N 1 0 387.293 2.621 20 0 GFADRO CN(CC1([NH+](C)C)CCC1)S(=O)(=O)c1cc(F)c(Br)cc1F ZINC000189129001 552463955 /nfs/dbraw/zinc/46/39/55/552463955.db2.gz SIPDENPLVDZJFR-UHFFFAOYSA-N 1 0 397.285 2.832 20 0 GFADRO Cc1cc(Br)ccc1SCC(=O)NCCN1CCCOCC1 ZINC000189416288 552470898 /nfs/dbraw/zinc/47/08/98/552470898.db2.gz BQOJFBMAVBADBR-UHFFFAOYSA-N 1 0 387.343 2.688 20 0 GFADRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C[C@H](O)COc1c(Cl)cccc1Cl ZINC000189448885 552471933 /nfs/dbraw/zinc/47/19/33/552471933.db2.gz SMNIVEPCQFXYGZ-KBPBESRZSA-N 1 0 391.339 2.510 20 0 GFADRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C[C@H](O)COc1c(Cl)cccc1Cl ZINC000189448865 552472146 /nfs/dbraw/zinc/47/21/46/552472146.db2.gz SMNIVEPCQFXYGZ-KGLIPLIRSA-N 1 0 391.339 2.510 20 0 GFADRO OC[C@H](Cc1ccccc1)[NH2+]Cc1cc(Br)c2c(c1)OCCO2 ZINC000189518638 552473498 /nfs/dbraw/zinc/47/34/98/552473498.db2.gz MQCSEFWYBCMCIX-HNNXBMFYSA-N 1 0 378.266 2.914 20 0 GFADRO O=S(=O)(CC[NH+]1CCCC1)N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000189748025 552478924 /nfs/dbraw/zinc/47/89/24/552478924.db2.gz TXMPXORKFBSMSF-GFCCVEGCSA-N 1 0 397.488 2.767 20 0 GFADRO C[C@@H]1CN(C[C@H](O)COc2c(Cl)cccc2Cl)CC[N@@H+]1CC(C)(C)O ZINC000189921680 552482814 /nfs/dbraw/zinc/48/28/14/552482814.db2.gz XCLCWBSPBFMYQN-KGLIPLIRSA-N 1 0 391.339 2.510 20 0 GFADRO C[C@@H](C(=O)Nc1ccccc1Br)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000189933283 552483355 /nfs/dbraw/zinc/48/33/55/552483355.db2.gz TXKWWMZIXIRPSD-KGLIPLIRSA-N 1 0 398.345 2.553 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)C(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000190014850 552485431 /nfs/dbraw/zinc/48/54/31/552485431.db2.gz KPBOTBGJVDUGFC-OAHLLOKOSA-N 1 0 394.313 2.783 20 0 GFADRO C[C@H]1CN(C(=O)Nc2nnc(-c3ccsc3)s2)CC[N@@H+]1CC(C)(C)O ZINC000190146047 552488825 /nfs/dbraw/zinc/48/88/25/552488825.db2.gz HKDUYBMVGAPFSL-NSHDSACASA-N 1 0 381.527 2.576 20 0 GFADRO Cc1ccc(Br)cc1CNC(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000190218637 552490385 /nfs/dbraw/zinc/49/03/85/552490385.db2.gz YHEYNWLBQJQFNE-UHFFFAOYSA-N 1 0 380.290 2.837 20 0 GFADRO CCCOc1c(Cl)cc(C[NH2+]CC2CN(S(=O)(=O)CC)C2)cc1OC ZINC000190292389 552492010 /nfs/dbraw/zinc/49/20/10/552492010.db2.gz QPDIEIUAHWKRDM-UHFFFAOYSA-N 1 0 390.933 2.509 20 0 GFADRO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)NCCC[NH+]1CCCC1 ZINC000190467129 552497615 /nfs/dbraw/zinc/49/76/15/552497615.db2.gz GRMVXNCCLXCSLW-AWEZNQCLSA-N 1 0 390.933 2.518 20 0 GFADRO COc1cccc(CN(CC[NH+](C)C)S(=O)(=O)c2sc(C)nc2C)c1 ZINC000190497189 552498803 /nfs/dbraw/zinc/49/88/03/552498803.db2.gz ZYRSPTOSXYSDTD-UHFFFAOYSA-N 1 0 383.539 2.521 20 0 GFADRO C[C@H](CNC(=O)Nc1cc(F)cc(F)c1Br)CN1CCOCC1 ZINC000190616871 552503531 /nfs/dbraw/zinc/50/35/31/552503531.db2.gz GUXIKZFOPRLYMK-SNVBAGLBSA-N 1 0 392.244 2.817 20 0 GFADRO Cc1cc(NC(=O)C(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc(C)c1Br ZINC000190836551 552510710 /nfs/dbraw/zinc/51/07/10/552510710.db2.gz HDJUNTPKOLXVSI-HIFRSBDPSA-N 1 0 396.329 2.946 20 0 GFADRO Cc1ccc(Br)cc1CNC(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000190995301 552515648 /nfs/dbraw/zinc/51/56/48/552515648.db2.gz DVORUHITZFNTGT-UHFFFAOYSA-N 1 0 397.361 2.583 20 0 GFADRO CN(C)c1nc(N)nc(CN(Cc2cccc(Br)c2)CC2CC2)n1 ZINC000191466114 552529289 /nfs/dbraw/zinc/52/92/89/552529289.db2.gz ILLMGGLBICKQDD-UHFFFAOYSA-N 1 0 391.317 2.695 20 0 GFADRO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)Nc1cc(Br)c(F)cc1C ZINC000191925226 552542823 /nfs/dbraw/zinc/54/28/23/552542823.db2.gz BPUIMWZZNDHGNO-LLVKDONJSA-N 1 0 388.281 2.682 20 0 GFADRO Cc1cc(S(=O)(=O)N(CC[NH3+])Cc2ccccc2)sc1Br ZINC000191928185 552543212 /nfs/dbraw/zinc/54/32/12/552543212.db2.gz OJGLKTJFMIXXTP-UHFFFAOYSA-N 1 0 389.340 2.969 20 0 GFADRO Cc1sc(Br)cc1S(=O)(=O)N(CC[NH3+])Cc1ccccc1 ZINC000191928432 552543403 /nfs/dbraw/zinc/54/34/03/552543403.db2.gz WDBQOSIPSSQPFI-UHFFFAOYSA-N 1 0 389.340 2.969 20 0 GFADRO C[C@H](CNC(=O)C(=O)Nc1cccc(Cl)c1Br)[N@H+](C)C1CC1 ZINC000192033592 552546622 /nfs/dbraw/zinc/54/66/22/552546622.db2.gz LVPNZQATPAYHHW-SECBINFHSA-N 1 0 388.693 2.640 20 0 GFADRO CC[C@H](CO)[NH+]1CCN([C@H](C(=O)OC)c2ccc(Cl)c(Cl)c2)CC1 ZINC000192046186 552547233 /nfs/dbraw/zinc/54/72/33/552547233.db2.gz GHORKEQPRAEGQH-CJNGLKHVSA-N 1 0 375.296 2.596 20 0 GFADRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)c1cc(Br)nn1C ZINC000192071642 552548932 /nfs/dbraw/zinc/54/89/32/552548932.db2.gz ZSKYABDJMQHTDS-UHFFFAOYSA-N 1 0 379.302 2.953 20 0 GFADRO CCS(=O)(=O)N(C)C1CC[NH+](CCOc2ccc(Cl)c(F)c2)CC1 ZINC000192103447 552551354 /nfs/dbraw/zinc/55/13/54/552551354.db2.gz OWWPJULSFBCVIO-UHFFFAOYSA-N 1 0 378.897 2.604 20 0 GFADRO CCS(=O)(=O)CCCCC[NH2+][C@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1 ZINC000192155403 552553396 /nfs/dbraw/zinc/55/33/96/552553396.db2.gz ACFJJDNZTHURNK-FUHWJXTLSA-N 1 0 386.945 2.806 20 0 GFADRO O=S(=O)(NC[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(Cl)c(Br)c1 ZINC000192187384 552555088 /nfs/dbraw/zinc/55/50/88/552555088.db2.gz KWQUDVHVRDBDFZ-SNVBAGLBSA-N 1 0 393.734 2.865 20 0 GFADRO CC(C)[C@@H](CNC(=O)Nc1cc(Cl)c(N)c(Cl)c1)[NH+]1CCN(C)CC1 ZINC000192301524 552559059 /nfs/dbraw/zinc/55/90/59/552559059.db2.gz VOXUNPCETPEHIE-OAHLLOKOSA-N 1 0 388.343 2.969 20 0 GFADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)Nc1cnns1 ZINC000192341026 552560265 /nfs/dbraw/zinc/56/02/65/552560265.db2.gz RPXVTFWFDLKXJG-UHFFFAOYSA-N 1 0 384.303 2.896 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)c(Br)c2)C1 ZINC000192389648 552561539 /nfs/dbraw/zinc/56/15/39/552561539.db2.gz IMSUYMZUFSUOGE-ZJUUUORDSA-N 1 0 381.723 2.850 20 0 GFADRO C[N@H+]1C[C@H]2CN(C(=O)c3cc(Br)cc(Br)c3)C[C@H]2C1 ZINC000192499569 552565475 /nfs/dbraw/zinc/56/54/75/552565475.db2.gz ZCIRENABTMMPFC-PHIMTYICSA-N 1 0 388.103 2.845 20 0 GFADRO Fc1cccc(Br)c1C[NH2+]C[C@@]1(N2CCOCC2)CCSC1 ZINC000192497654 552565516 /nfs/dbraw/zinc/56/55/16/552565516.db2.gz RGBMGRPQJZMMNW-INIZCTEOSA-N 1 0 389.334 2.886 20 0 GFADRO Cc1c[nH+]ccc1N1CCN(CC(=O)Nc2ccc(Br)cc2)CC1 ZINC000192695410 552971655 /nfs/dbraw/zinc/97/16/55/552971655.db2.gz DPRRSDYRYNFKSF-UHFFFAOYSA-N 1 0 389.297 2.913 20 0 GFADRO C[C@@H](NC(=O)CCc1c[nH]cn1)c1cc2c(cc1Br)OCCO2 ZINC000192803835 552973901 /nfs/dbraw/zinc/97/39/01/552973901.db2.gz PEBUCIQNBFRSNF-SNVBAGLBSA-N 1 0 380.242 2.753 20 0 GFADRO CN(C)S(=O)(=O)c1ccc(C[NH2+]Cc2cnc(-c3ccco3)s2)cc1 ZINC000193008361 552980439 /nfs/dbraw/zinc/98/04/39/552980439.db2.gz BSAFSDNIRKOJEP-UHFFFAOYSA-N 1 0 377.491 2.943 20 0 GFADRO C[C@@H]1C[N@@H+](CCCNC(=O)COc2c(Cl)cccc2Cl)C[C@H](C)O1 ZINC000193122231 552984384 /nfs/dbraw/zinc/98/43/84/552984384.db2.gz VWBOHRFVOASZBB-BETUJISGSA-N 1 0 375.296 2.988 20 0 GFADRO CCC[NH+](CCC)CCCNC(=O)C(=O)Nc1ccc(Br)c(C)n1 ZINC000193186298 552985561 /nfs/dbraw/zinc/98/55/61/552985561.db2.gz LQEVPBYQXJNXTI-UHFFFAOYSA-N 1 0 399.333 2.719 20 0 GFADRO C[NH2+]C[C@@H]1CCCN(S(=O)(=O)c2cc(Br)c(F)cc2C)C1 ZINC000193227073 552986684 /nfs/dbraw/zinc/98/66/84/552986684.db2.gz RTFDJYJVJRFIKS-NSHDSACASA-N 1 0 379.295 2.517 20 0 GFADRO C[C@@H]([NH3+])CCC(=O)NCCSCCOc1cccc(Br)c1 ZINC000193248098 552987183 /nfs/dbraw/zinc/98/71/83/552987183.db2.gz MUZYCHQTLHFLCT-GFCCVEGCSA-N 1 0 375.332 2.805 20 0 GFADRO O=S(=O)(NC[C@@H]1CCC[NH2+]C1)c1cc(Cl)c(Br)cc1F ZINC000193243807 552987501 /nfs/dbraw/zinc/98/75/01/552987501.db2.gz OIUMMDPXWFLUIH-MRVPVSSYSA-N 1 0 385.686 2.520 20 0 GFADRO O=S(=O)(NC[C@H]1CCC[NH2+]1)c1cc(Br)c(Cl)cc1Cl ZINC000193258063 552987738 /nfs/dbraw/zinc/98/77/38/552987738.db2.gz QOBPLCMGRRMLKH-SSDOTTSWSA-N 1 0 388.114 2.786 20 0 GFADRO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@H](C)[C@H]1C[NH3+] ZINC000193286910 552989213 /nfs/dbraw/zinc/98/92/13/552989213.db2.gz HJURAQCUVFLCEJ-KCQAQPDRSA-N 1 0 390.933 2.502 20 0 GFADRO C[NH2+]C[C@@H]1CCCN1S(=O)(=O)c1ccc2cc(Br)ccc2c1 ZINC000193301574 552989613 /nfs/dbraw/zinc/98/96/13/552989613.db2.gz FTIGNQDWOCJJPO-HNNXBMFYSA-N 1 0 383.311 2.975 20 0 GFADRO COc1cc(Cl)c(S(=O)(=O)N[C@@]2(C[NH3+])CCCC[C@@H]2C)cc1OC ZINC000193319426 552990043 /nfs/dbraw/zinc/99/00/43/552990043.db2.gz JAVCSNACOLYSNU-MEDUHNTESA-N 1 0 376.906 2.543 20 0 GFADRO CC1(CNS(=O)(=O)c2ccc(Br)c(Cl)c2)CC[NH2+]CC1 ZINC000193376366 552991860 /nfs/dbraw/zinc/99/18/60/552991860.db2.gz RDEMXLBAWBMPGU-UHFFFAOYSA-N 1 0 381.723 2.771 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)N[C@H]1CCC[NH2+][C@@H]1C ZINC000193532475 552995482 /nfs/dbraw/zinc/99/54/82/552995482.db2.gz HGAMLMVXHKBBSK-KFWWJZLASA-N 1 0 384.567 2.608 20 0 GFADRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)[C@@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1 ZINC000193536915 552996025 /nfs/dbraw/zinc/99/60/25/552996025.db2.gz BTJHAVDAYIJSAX-UVBJJODRSA-N 1 0 384.307 2.855 20 0 GFADRO O=C(NCc1ccc(C[NH+]2CCC(O)CC2)cc1)c1ccoc1Br ZINC000193554594 552996414 /nfs/dbraw/zinc/99/64/14/552996414.db2.gz GYFNUWCYTNNUES-UHFFFAOYSA-N 1 0 393.281 2.929 20 0 GFADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1Cc2cc(Br)ccc2O1 ZINC000193584769 552997683 /nfs/dbraw/zinc/99/76/83/552997683.db2.gz DXDQTFAQBNAIQC-VYDXJSESSA-N 1 0 379.298 2.838 20 0 GFADRO O=S(=O)(NC1CC[NH+](CC2CC2)CC1)c1ccc(OC(F)(F)F)cc1 ZINC000193909826 553006382 /nfs/dbraw/zinc/00/63/82/553006382.db2.gz ILLDVVKQFKJFOT-UHFFFAOYSA-N 1 0 378.416 2.738 20 0 GFADRO Cn1cc(N2CC[C@@H]([NH2+][C@@H]3CCc4ccc(Br)cc43)C2=O)cn1 ZINC000193993343 553009328 /nfs/dbraw/zinc/00/93/28/553009328.db2.gz MRXMDBOKNTWBQD-HZPDHXFCSA-N 1 0 375.270 2.565 20 0 GFADRO C[C@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000194006718 553009364 /nfs/dbraw/zinc/00/93/64/553009364.db2.gz BUQWWPOJCHVQLQ-SWLSCSKDSA-N 1 0 387.933 2.697 20 0 GFADRO CN(C(=O)c1ccc(F)cc1I)C1CC[NH+](C)CC1 ZINC000194273464 553016589 /nfs/dbraw/zinc/01/65/89/553016589.db2.gz JNRGRISPMNIRIP-UHFFFAOYSA-N 1 0 376.213 2.597 20 0 GFADRO C[NH+](C)CCN1CCN(C(=O)Cc2csc(-c3ccc(Cl)s3)n2)CC1 ZINC000194325554 553017520 /nfs/dbraw/zinc/01/75/20/553017520.db2.gz RJEPFVLKAYYVCB-UHFFFAOYSA-N 1 0 398.985 2.773 20 0 GFADRO C[C@@H](c1ccccc1Br)N(C)CC(=O)NCCCN1CCCC1=O ZINC000194542003 553023601 /nfs/dbraw/zinc/02/36/01/553023601.db2.gz VAKJNAXDJGBJJL-AWEZNQCLSA-N 1 0 396.329 2.571 20 0 GFADRO C[C@H](c1ccccc1Br)N(C)CC(=O)NCCCN1CCCC1=O ZINC000194542015 553023799 /nfs/dbraw/zinc/02/37/99/553023799.db2.gz VAKJNAXDJGBJJL-CQSZACIVSA-N 1 0 396.329 2.571 20 0 GFADRO CSC[C@](C)(O)C[NH2+]Cc1ncc(Br)cc1Br ZINC000229603685 553064603 /nfs/dbraw/zinc/06/46/03/553064603.db2.gz MRJPXXUFEBNLHY-LLVKDONJSA-N 1 0 384.137 2.810 20 0 GFADRO CC[NH+](CC)CCN(Cc1cccs1)S(=O)(=O)c1ccc(OC)nc1 ZINC000195058812 553037048 /nfs/dbraw/zinc/03/70/48/553037048.db2.gz LYNCXHMZIMOGCJ-UHFFFAOYSA-N 1 0 383.539 2.684 20 0 GFADRO NC(=O)c1ccc(C(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)s1 ZINC000195199011 553040938 /nfs/dbraw/zinc/04/09/38/553040938.db2.gz BMRQMRCDIRLVQU-UHFFFAOYSA-N 1 0 375.519 2.691 20 0 GFADRO CS(=O)(=O)CCC[NH2+]Cc1ccc(OC(F)(F)F)c(Br)c1 ZINC000229686248 553064264 /nfs/dbraw/zinc/06/42/64/553064264.db2.gz MLZARQOXYJUZSF-UHFFFAOYSA-N 1 0 390.221 2.872 20 0 GFADRO [NH3+]C[C@H]1CCCN(C(=O)c2ccc(I)c(Cl)c2)C1 ZINC000226231741 553060901 /nfs/dbraw/zinc/06/09/01/553060901.db2.gz JUKIYQFQDDVNER-SECBINFHSA-N 1 0 378.641 2.756 20 0 GFADRO O=C(NCC[C@@H]1CCC[NH2+]C1)c1ccc(F)cc1I ZINC000226250607 553061714 /nfs/dbraw/zinc/06/17/14/553061714.db2.gz NWAONBUDTYFAES-JTQLQIEISA-N 1 0 376.213 2.550 20 0 GFADRO COCC(=O)N1CCC([NH2+]Cc2cc(Br)c(Cl)s2)CC1 ZINC000227806064 553063448 /nfs/dbraw/zinc/06/34/48/553063448.db2.gz JBAKNZPTOVBVJX-UHFFFAOYSA-N 1 0 381.723 2.891 20 0 GFADRO O=S(=O)(NCCC[NH+]1CCCCC1)c1ccc(Br)c(F)c1 ZINC000230590980 553065144 /nfs/dbraw/zinc/06/51/44/553065144.db2.gz XWFKUNLZGGXMPD-UHFFFAOYSA-N 1 0 379.295 2.743 20 0 GFADRO O=S(=O)(c1ccc(Cl)c(Br)c1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000236071223 553068452 /nfs/dbraw/zinc/06/84/52/553068452.db2.gz BQPMGWIRHYMFBU-ZJUUUORDSA-N 1 0 379.707 2.618 20 0 GFADRO CC(C)(C[NH3+])C(=O)Nc1cc(Cl)c(NC(=O)c2cnccn2)c(Cl)c1 ZINC000236624011 553069614 /nfs/dbraw/zinc/06/96/14/553069614.db2.gz OCUCHOIZGCVCGQ-UHFFFAOYSA-N 1 0 382.251 2.959 20 0 GFADRO O=C(CNC(=O)c1cccc(Br)c1)NCC[NH2+]C1CCCCCC1 ZINC000236629291 553069675 /nfs/dbraw/zinc/06/96/75/553069675.db2.gz DQFDAYBLXBELJS-UHFFFAOYSA-N 1 0 396.329 2.608 20 0 GFADRO CC(C)[C@](C)(C[NH3+])NC(=O)CCC[S@@](=O)c1ccc(Br)cc1 ZINC000236630661 553069878 /nfs/dbraw/zinc/06/98/78/553069878.db2.gz KEIXTWVADHLKNP-KSFYIVLOSA-N 1 0 389.359 2.827 20 0 GFADRO CC(C)[C@H]([NH3+])CCN(C)C(=O)c1cc(=O)c2cc(Br)ccc2[nH]1 ZINC000236625214 553069915 /nfs/dbraw/zinc/06/99/15/553069915.db2.gz WRKKYUGSPNXXPO-CYBMUJFWSA-N 1 0 380.286 2.736 20 0 GFADRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)c1c(F)cccc1I ZINC000236770803 553071171 /nfs/dbraw/zinc/07/11/71/553071171.db2.gz LKYAXYQGQLXZNU-LBPRGKRZSA-N 1 0 378.229 2.876 20 0 GFADRO CC(C)C[C@@H]([NH3+])C(=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000236702613 553071214 /nfs/dbraw/zinc/07/12/14/553071214.db2.gz ZDFPZYCONAUWCH-CYBMUJFWSA-N 1 0 378.826 2.776 20 0 GFADRO CCC[NH2+]CCNC(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000236807242 553071524 /nfs/dbraw/zinc/07/15/24/553071524.db2.gz QDFYRRRTEGEREK-AWEZNQCLSA-N 1 0 386.323 2.961 20 0 GFADRO CC[NH2+]CC1CCN(C(=O)[C@@H](C)N2C(=S)N=NC2c2cccs2)CC1 ZINC000236827524 553071622 /nfs/dbraw/zinc/07/16/22/553071622.db2.gz ADELRRITRONVMO-GFCCVEGCSA-N 1 0 379.555 2.704 20 0 GFADRO C[NH2+]C[C@H]1CCCN(C(=O)c2nc(C)n(-c3c(Cl)cccc3Cl)n2)C1 ZINC000237087104 553074061 /nfs/dbraw/zinc/07/40/61/553074061.db2.gz ZSEXSIIHINAXJY-GFCCVEGCSA-N 1 0 382.295 2.954 20 0 GFADRO CN(C(=O)c1ccc(Br)o1)c1ccccc1C(=O)NCC(C)(C)[NH3+] ZINC000237083608 553074232 /nfs/dbraw/zinc/07/42/32/553074232.db2.gz JNWRHNOFHDVCLF-UHFFFAOYSA-N 1 0 394.269 2.786 20 0 GFADRO C[NH2+]C1CCN(C(=O)CCC(=O)c2cc(Br)ccc2OC)CC1 ZINC000237061111 553074381 /nfs/dbraw/zinc/07/43/81/553074381.db2.gz AZKRRBOBZHMSIS-UHFFFAOYSA-N 1 0 383.286 2.631 20 0 GFADRO COc1ccc(Br)cc1C(=O)CCC(=O)N[C@@](C)(C[NH3+])C(C)C ZINC000237111400 553074917 /nfs/dbraw/zinc/07/49/17/553074917.db2.gz UPFXIIXXEHAYSH-KRWDZBQOSA-N 1 0 385.302 2.910 20 0 GFADRO C[C@](C[NH3+])(NC(=O)CCc1nc(-c2cc(Br)cs2)no1)C1CC1 ZINC000237591688 553079431 /nfs/dbraw/zinc/07/94/31/553079431.db2.gz QASQIVOEFREYCD-OAHLLOKOSA-N 1 0 399.314 2.737 20 0 GFADRO C[C@@]1(C(=O)NC[C@H]2CCN(c3cccc(Br)c3)C2)CCCC[NH2+]1 ZINC000237590336 553079459 /nfs/dbraw/zinc/07/94/59/553079459.db2.gz OHZIHXSPOWBUFL-KDOFPFPSSA-N 1 0 380.330 2.924 20 0 GFADRO C[C@H]1CCCN(C(=O)CCNC(=O)Nc2ccc(Br)cc2)[C@H]1C[NH3+] ZINC000237687732 553080615 /nfs/dbraw/zinc/08/06/15/553080615.db2.gz SEPYGQZJRXUIBS-WFASDCNBSA-N 1 0 397.317 2.547 20 0 GFADRO C[C@H]1CCCN(C(=O)c2cc(F)c(F)cc2I)[C@@H]1C[NH3+] ZINC000237712402 553081089 /nfs/dbraw/zinc/08/10/89/553081089.db2.gz LURIJGABPOXZAF-ISVAXAHUSA-N 1 0 394.203 2.769 20 0 GFADRO Cc1c(C(=O)N2CCC[C@@H](C[NH3+])C2)cnn1-c1cccc(Br)c1 ZINC000237747870 553081273 /nfs/dbraw/zinc/08/12/73/553081273.db2.gz AWOJHDOQLLQMQQ-ZDUSSCGKSA-N 1 0 377.286 2.754 20 0 GFADRO Cc1cc(S(=O)(=O)NCC[C@H]2CCC[NH2+]C2)c(C)cc1Br ZINC000237787883 553081770 /nfs/dbraw/zinc/08/17/70/553081770.db2.gz RRSMUORKUVMFPW-CYBMUJFWSA-N 1 0 375.332 2.734 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000237787217 553081922 /nfs/dbraw/zinc/08/19/22/553081922.db2.gz VLFMIRRNMSEINT-JSGCOSHPSA-N 1 0 382.302 2.720 20 0 GFADRO C[C@]1(C(=O)N2CCC(C(=O)Nc3ccccc3Br)CC2)CC[NH2+]C1 ZINC000237787789 553081927 /nfs/dbraw/zinc/08/19/27/553081927.db2.gz IYQQEUAUNOOSPN-SFHVURJKSA-N 1 0 394.313 2.626 20 0 GFADRO [NH3+]C1CCC(NC(=O)[C@H]2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000237804117 553082391 /nfs/dbraw/zinc/08/23/91/553082391.db2.gz MGSYWGIGNPMJBH-UYSNPLJNSA-N 1 0 384.307 2.984 20 0 GFADRO O=S(=O)(c1ccc(F)c(Br)c1)N1CCC([NH2+]CC2CC2)CC1 ZINC000237885945 553083487 /nfs/dbraw/zinc/08/34/87/553083487.db2.gz VUJIEBXUXCBDED-UHFFFAOYSA-N 1 0 391.306 2.741 20 0 GFADRO [NH3+]Cc1ccc(C(=O)N2CCN(Cc3ccc(Br)s3)CC2)o1 ZINC000237951930 553083815 /nfs/dbraw/zinc/08/38/15/553083815.db2.gz HHQGJUMHBMGWAU-UHFFFAOYSA-N 1 0 384.299 2.520 20 0 GFADRO [NH3+]C[C@H](NC(=O)c1cc(=O)[nH]c2c(Br)cccc12)C1CCCCC1 ZINC000237905251 553083902 /nfs/dbraw/zinc/08/39/02/553083902.db2.gz XURLSRAYVGLYSF-HNNXBMFYSA-N 1 0 392.297 2.928 20 0 GFADRO [NH3+]Cc1ccc(C(=O)NC[C@H]2CCN(c3cccc(Br)c3)C2)o1 ZINC000237972657 553084584 /nfs/dbraw/zinc/08/45/84/553084584.db2.gz RTNLNGFBIROQQQ-GFCCVEGCSA-N 1 0 378.270 2.757 20 0 GFADRO NCc1nc(C(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)cs1 ZINC000238032852 553085077 /nfs/dbraw/zinc/08/50/77/553085077.db2.gz YEYLKLXBLDZFLK-UHFFFAOYSA-N 1 0 378.929 2.897 20 0 GFADRO [NH3+]C[C@@H](C(=O)N[C@H]1CCN(c2ccc(Br)cc2)C1)c1ccccc1 ZINC000238036843 553085095 /nfs/dbraw/zinc/08/50/95/553085095.db2.gz FBTXTUHEPMXDGF-FUHWJXTLSA-N 1 0 388.309 2.887 20 0 GFADRO [NH3+]C[C@@H](NC(=O)Cc1csc(-c2cccc(Br)c2)n1)C1CC1 ZINC000238071290 553085718 /nfs/dbraw/zinc/08/57/18/553085718.db2.gz IGIXABRNOOUZEO-CQSZACIVSA-N 1 0 380.311 2.969 20 0 GFADRO O=C1CN(Cc2cnn(-c3ccc(Br)cc3)c2)[C@@H]2CCCC[C@H]2N1 ZINC000245562704 553092934 /nfs/dbraw/zinc/09/29/34/553092934.db2.gz PDKHMNVKVXPJAS-IAGOWNOFSA-N 1 0 389.297 2.878 20 0 GFADRO C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]CC(=O)NCC(=O)Nc1ccccc1Br ZINC000245859180 553098223 /nfs/dbraw/zinc/09/82/23/553098223.db2.gz ICHJKXBMTFWNMW-MCBXIFIFSA-N 1 0 396.329 2.918 20 0 GFADRO COc1ccc(Br)cc1CNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000246181692 553103853 /nfs/dbraw/zinc/10/38/53/553103853.db2.gz LVZYRBJPDVUWMX-CABCVRRESA-N 1 0 382.302 2.836 20 0 GFADRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Cc2ccccc2I)C1 ZINC000246309074 553106011 /nfs/dbraw/zinc/10/60/11/553106011.db2.gz QVMSWCPJVQSBRG-GOEBONIOSA-N 1 0 398.288 2.776 20 0 GFADRO Cc1nn(C)c(Cl)c1S(=O)(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000246372084 553107029 /nfs/dbraw/zinc/10/70/29/553107029.db2.gz LYIFONGDHVXYPG-UKRRQHHQSA-N 1 0 388.965 2.657 20 0 GFADRO CC(=O)N1CC[C@H](C[N@@H+](C)[C@@H](C)C(=O)Nc2ccc(Br)c(C)c2)C1 ZINC000246383785 553107117 /nfs/dbraw/zinc/10/71/17/553107117.db2.gz HHOSJPQUQGHDPB-DZGCQCFKSA-N 1 0 396.329 2.885 20 0 GFADRO CCc1cc(N2CCC[C@@H]([NH2+][C@H](C)Cn3cc(Br)cn3)C2)ncn1 ZINC000246378909 553107317 /nfs/dbraw/zinc/10/73/17/553107317.db2.gz JXUDGPXLLFIZSM-CZUORRHYSA-N 1 0 393.333 2.645 20 0 GFADRO Cc1cc(S(=O)(=O)N(C)[C@H]2CC[N@@H+](C)C[C@H]2C)sc1Br ZINC000246470143 553107937 /nfs/dbraw/zinc/10/79/37/553107937.db2.gz KFPVJYMGIGJKOL-MNOVXSKESA-N 1 0 381.361 2.780 20 0 GFADRO CSCC[C@@H]1NC(=S)N(C[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)C1=O ZINC000246505894 553109275 /nfs/dbraw/zinc/10/92/75/553109275.db2.gz YAOKKNMDYURHBQ-YDHLFZDLSA-N 1 0 383.608 2.969 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)N[C@H](CO)c2cccc(Br)c2)C1 ZINC000246572409 553109874 /nfs/dbraw/zinc/10/98/74/553109874.db2.gz BVGCNHBNHNJCLW-BZUAXINKSA-N 1 0 384.318 2.655 20 0 GFADRO CCN(C[C@@H](O)Cc1ccccc1C(F)(F)F)[C@H](C)CS(=O)(=O)CC ZINC000246620641 553110901 /nfs/dbraw/zinc/11/09/01/553110901.db2.gz IJWARVQEEWGNJA-HIFRSBDPSA-N 1 0 381.460 2.754 20 0 GFADRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C[C@@H]1Sc2ccc(Cl)cc2NC1=O ZINC000246771097 553112603 /nfs/dbraw/zinc/11/26/03/553112603.db2.gz LCOMIBFCXPCNJO-LRDDRELGSA-N 1 0 381.929 2.943 20 0 GFADRO C[C@H](NC(=O)CN1CCS[C@@H]2COCC[C@H]21)c1ccc(Br)cc1 ZINC000246747092 553112686 /nfs/dbraw/zinc/11/26/86/553112686.db2.gz HAJPHOYFRUXNAH-APHBMKBZSA-N 1 0 399.354 2.833 20 0 GFADRO O=C(N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO)c1coc(Br)c1 ZINC000246804784 553113382 /nfs/dbraw/zinc/11/33/82/553113382.db2.gz RSRCTXSIMHFARR-HOCLYGCPSA-N 1 0 393.281 2.655 20 0 GFADRO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CNC(=O)c1ccc(Cl)c(Cl)c1 ZINC000246829779 553113608 /nfs/dbraw/zinc/11/36/08/553113608.db2.gz AOVHEPGWQLKMMO-KBPBESRZSA-N 1 0 384.307 2.808 20 0 GFADRO NC(=O)[C@H](c1ccc(Br)cc1F)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246911527 553114942 /nfs/dbraw/zinc/11/49/42/553114942.db2.gz PTPJLWUDGQXKOZ-LRDDRELGSA-N 1 0 384.293 2.532 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)CNC(=O)c2ccc(Cl)c(Cl)c2)[C@@H](C)C1 ZINC000247539775 553123170 /nfs/dbraw/zinc/12/31/70/553123170.db2.gz XXQPTSVAYIYZAT-BLLLJJGKSA-N 1 0 386.323 2.912 20 0 GFADRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2S(=O)(=O)c2ccccc2OC(F)(F)F)C1 ZINC000247551104 553123838 /nfs/dbraw/zinc/12/38/38/553123838.db2.gz QXUZHEGEDHJWDG-QWHCGFSZSA-N 1 0 378.416 2.690 20 0 GFADRO COCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](Cc2ccc(OC)c(Br)c2)C1 ZINC000247821037 553125530 /nfs/dbraw/zinc/12/55/30/553125530.db2.gz DAOBGFSUUBDWHJ-DZGCQCFKSA-N 1 0 399.329 2.821 20 0 GFADRO C[N@@H+]1CCC[C@@H]2C[NH+](C[C@@H](O)COc3ccc(Br)cc3)CC[C@@H]21 ZINC000247883450 553126560 /nfs/dbraw/zinc/12/65/60/553126560.db2.gz CHOBRQITMZYPQT-KYJSFNMBSA-N 1 0 383.330 2.605 20 0 GFADRO C[N@H+](CCCO)C1CCN(C(=O)[C@@H]2C[C@H]2c2cccc(Br)c2)CC1 ZINC000248133071 553127781 /nfs/dbraw/zinc/12/77/81/553127781.db2.gz WVZQQZRDSRQFDF-ZWKOTPCHSA-N 1 0 395.341 2.858 20 0 GFADRO CCOC(=O)c1c(C)c(C)sc1NC(=O)C[C@H](C)[NH2+][C@H](C)C[S@@](C)=O ZINC000248496340 553130734 /nfs/dbraw/zinc/13/07/34/553130734.db2.gz QRXXTPYOIWXDRH-BTZQTZEISA-N 1 0 388.555 2.615 20 0 GFADRO CCN(C[C@@H](O)COc1cc(C)ccc1Cl)[C@H](C)CS(=O)(=O)CC ZINC000248614042 553131957 /nfs/dbraw/zinc/13/19/57/553131957.db2.gz YJOWZRCBWWQDFY-HUUCEWRRSA-N 1 0 377.934 2.533 20 0 GFADRO Cc1ccc(-n2nc(Br)cc2C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc1 ZINC000248701600 553133183 /nfs/dbraw/zinc/13/31/83/553133183.db2.gz ZSBHAVUKRZKBKS-AEGPPILISA-N 1 0 389.297 2.753 20 0 GFADRO C[C@@H]1CCCN1S(=O)(=O)NC[C@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000248708839 553133730 /nfs/dbraw/zinc/13/37/30/553133730.db2.gz MKBTVVQBGRDFPV-SUYBPPKGSA-N 1 0 389.924 2.791 20 0 GFADRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)[C@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1 ZINC000248831993 553135441 /nfs/dbraw/zinc/13/54/41/553135441.db2.gz BTJHAVDAYIJSAX-KNXALSJPSA-N 1 0 384.307 2.855 20 0 GFADRO C[C@@H](NC(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1)c1ccccc1Br ZINC000249097797 553139067 /nfs/dbraw/zinc/13/90/67/553139067.db2.gz ISSHMIAZKNGFMM-ZIAGYGMSSA-N 1 0 398.345 2.997 20 0 GFADRO Cc1cc(NC(=O)N2CC[N@@H+](C[C@H](C)O)[C@@H](C)C2)cc(C)c1Br ZINC000249144505 553140159 /nfs/dbraw/zinc/14/01/59/553140159.db2.gz ZTDBDRGIOFPHRR-KBPBESRZSA-N 1 0 384.318 2.985 20 0 GFADRO C[C@]1(c2ccccc2)CC[C@@H]([NH2+]C[C@@H](O)CS(=O)(=O)c2cccs2)C1 ZINC000249175315 553140475 /nfs/dbraw/zinc/14/04/75/553140475.db2.gz DZSPMKOVUBHYHZ-LMMKCTJWSA-N 1 0 379.547 2.983 20 0 GFADRO C[C@@H](NC(=O)CN1CCC[C@H]1C(=O)NC1CC1)c1ccc(Cl)cc1Cl ZINC000249747725 553145921 /nfs/dbraw/zinc/14/59/21/553145921.db2.gz OHLQFQOGQHMNAU-BZNIZROVSA-N 1 0 384.307 2.914 20 0 GFADRO O=S(=O)(c1sccc1Br)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000250188376 553147218 /nfs/dbraw/zinc/14/72/18/553147218.db2.gz UOIYOSYWKKEXRU-CMPLNLGQSA-N 1 0 379.345 2.663 20 0 GFADRO CC[N@@H+](Cc1cc(Br)ccc1F)C[C@H](O)COC[C@H]1CCCO1 ZINC000250209861 553147483 /nfs/dbraw/zinc/14/74/83/553147483.db2.gz NDWWAXITBUOAJS-JKSUJKDBSA-N 1 0 390.293 2.967 20 0 GFADRO Cc1cc(NC(=O)C(=O)N[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)ccc1Br ZINC000250641833 553147764 /nfs/dbraw/zinc/14/77/64/553147764.db2.gz UZJSCLVYVANYKH-OCCSQVGLSA-N 1 0 396.329 2.933 20 0 GFADRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)Nc1ccccc1Br ZINC000250586282 553147905 /nfs/dbraw/zinc/14/79/05/553147905.db2.gz QNOOTKZBMXMTOL-OLZOCXBDSA-N 1 0 382.302 2.624 20 0 GFADRO COc1ccc([C@H](C)[NH2+][C@H](C)C(=O)NC[C@H]2CCCO2)cc1Br ZINC000252465346 553149623 /nfs/dbraw/zinc/14/96/23/553149623.db2.gz PZGVZTOMHQONHM-OUCADQQQSA-N 1 0 385.302 2.792 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1csc(I)c1 ZINC000252667935 553150259 /nfs/dbraw/zinc/15/02/59/553150259.db2.gz QEQSUIHWCCICGN-MNOVXSKESA-N 1 0 376.263 2.709 20 0 GFADRO CCc1c(NC(=O)[C@@H]2CC[C@H](C[NH3+])O2)n[nH]c1-c1ccc(Br)cc1 ZINC000261615717 553154142 /nfs/dbraw/zinc/15/41/42/553154142.db2.gz BSOHSFQBNGKCEO-OCCSQVGLSA-N 1 0 393.285 2.846 20 0 GFADRO [NH3+][C@@H]1CN(C(=O)COc2cccc(Br)c2)C[C@H]1c1ccccc1 ZINC000261620064 553154547 /nfs/dbraw/zinc/15/45/47/553154547.db2.gz CWUSUQWYBWUZOJ-DLBZAZTESA-N 1 0 375.266 2.781 20 0 GFADRO C[C@]([NH3+])(C(=O)Nc1cc(C2CCOCC2)[nH]n1)c1ccc(Br)cc1 ZINC000261649723 553155052 /nfs/dbraw/zinc/15/50/52/553155052.db2.gz DMGBLHALMLNOSL-QGZVFWFLSA-N 1 0 393.285 2.879 20 0 GFADRO O=C(NC[C@@H]1CCCN(Cc2ccc(Br)c(F)c2)C1)[C@@H]1CCC[NH2+]1 ZINC000261647105 553155202 /nfs/dbraw/zinc/15/52/02/553155202.db2.gz JFEONVGHMKRNHH-YOEHRIQHSA-N 1 0 398.320 2.668 20 0 GFADRO C[C@@H]1CCN(C(=O)C2CCN(C(=O)c3ccc(Cl)s3)CC2)[C@H](C[NH3+])C1 ZINC000261724105 553157345 /nfs/dbraw/zinc/15/73/45/553157345.db2.gz HEDGOBUVKJGCEC-OCCSQVGLSA-N 1 0 383.945 2.840 20 0 GFADRO O=C(C1=Cc2cc(Br)ccc2OC1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000261742081 553157860 /nfs/dbraw/zinc/15/78/60/553157860.db2.gz IMOFOIRANDIOME-BETUJISGSA-N 1 0 377.282 2.683 20 0 GFADRO O=C(c1ccc(F)cc1I)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000261763680 553158726 /nfs/dbraw/zinc/15/87/26/553158726.db2.gz JXHXARQPNLDNDA-PHIMTYICSA-N 1 0 388.224 2.502 20 0 GFADRO CC(=O)N[C@H](Cc1nc(C2([NH3+])CCCC2)no1)c1ccc(Br)cc1 ZINC000261783480 553159403 /nfs/dbraw/zinc/15/94/03/553159403.db2.gz NYCCIEYFIKLKTD-CQSZACIVSA-N 1 0 393.285 2.980 20 0 GFADRO C[NH2+]CCC1CCN(S(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)CC1 ZINC000261790508 553159435 /nfs/dbraw/zinc/15/94/35/553159435.db2.gz YXTMNICFAWGKQQ-UHFFFAOYSA-N 1 0 382.860 2.952 20 0 GFADRO [NH3+][C@@H]1CCC[C@H]2CN(S(=O)(=O)c3ccc(OC(F)F)c(Cl)c3)C[C@@H]21 ZINC000261798520 553159900 /nfs/dbraw/zinc/15/99/00/553159900.db2.gz ZSYIXLSSQQELNL-XHVZSJERSA-N 1 0 380.844 2.689 20 0 GFADRO C[NH2+][C@H](C)CNC(=O)[C@H](CCSC)NC(=O)c1ccc(Cl)cc1Cl ZINC000261799063 553159935 /nfs/dbraw/zinc/15/99/35/553159935.db2.gz RQFBPZSTRCPWDQ-YGRLFVJLSA-N 1 0 392.352 2.569 20 0 GFADRO Cc1ccc(OCCC(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)c(Br)c1 ZINC000261811279 553159982 /nfs/dbraw/zinc/15/99/82/553159982.db2.gz NLBLCVSUHTXQNK-GASCZTMLSA-N 1 0 381.314 2.984 20 0 GFADRO O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1cc2cc(F)ccc2s1 ZINC000261804483 553160044 /nfs/dbraw/zinc/16/00/44/553160044.db2.gz HENKMZAZJZOXEE-AWEZNQCLSA-N 1 0 375.391 2.606 20 0 GFADRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)c1nn(-c2ccc(F)cc2)cc1Br ZINC000261818697 553160405 /nfs/dbraw/zinc/16/04/05/553160405.db2.gz NIGYFYMWVYJLSX-WDEREUQCSA-N 1 0 381.249 2.583 20 0 GFADRO O=C(c1cnn(-c2cccc(Br)c2)c1)N1CCC2(CC[NH2+]C2)CC1 ZINC000261911522 553162223 /nfs/dbraw/zinc/16/22/23/553162223.db2.gz XQXWVFSUEWOGAT-UHFFFAOYSA-N 1 0 389.297 2.851 20 0 GFADRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 ZINC000261895897 553162404 /nfs/dbraw/zinc/16/24/04/553162404.db2.gz VYANGFYTVBFDLK-WQGACYEGSA-N 1 0 384.307 2.794 20 0 GFADRO C[NH2+]C[C@H]1CCCN(Cc2ccc(Br)cc2N2CCOCC2)C1 ZINC000261941852 553162670 /nfs/dbraw/zinc/16/26/70/553162670.db2.gz MVVQREALCOHCFQ-OAHLLOKOSA-N 1 0 382.346 2.717 20 0 GFADRO CC1(C)CN(C(=O)[C@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)CC[C@@H]1[NH3+] ZINC000261938084 553162847 /nfs/dbraw/zinc/16/28/47/553162847.db2.gz XDKDRJVLNAQYFO-DOMZBBRYSA-N 1 0 384.307 2.932 20 0 GFADRO C[C@@H](NC(=O)C1(n2cccn2)CC[NH2+]CC1)c1ccccc1Br ZINC000261970196 553163508 /nfs/dbraw/zinc/16/35/08/553163508.db2.gz QKHPUXJHHRIZNJ-CYBMUJFWSA-N 1 0 377.286 2.602 20 0 GFADRO [NH3+]CCC(=O)NC[C@@H]1CCCCN1Cc1ccc(Br)cc1Cl ZINC000261995893 553163962 /nfs/dbraw/zinc/16/39/62/553163962.db2.gz KTYQAKGDSXGIHM-AWEZNQCLSA-N 1 0 388.737 2.922 20 0 GFADRO [NH3+]CCN(CCc1ccccc1)S(=O)(=O)c1ccccc1Br ZINC000262043299 553164615 /nfs/dbraw/zinc/16/46/15/553164615.db2.gz PKSDGFKEZPPQEX-UHFFFAOYSA-N 1 0 383.311 2.641 20 0 GFADRO C[C@@H](Sc1ccc(Cl)cc1)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000262043800 553164774 /nfs/dbraw/zinc/16/47/74/553164774.db2.gz QKXRQWMZYYWJHB-RISCZKNCSA-N 1 0 395.878 2.773 20 0 GFADRO CCOc1cc(Br)c(CC(=O)N2CC[C@@](C)(C[NH3+])C2)cc1OCC ZINC000262103323 553165908 /nfs/dbraw/zinc/16/59/08/553165908.db2.gz VEVNPAOBZVYCBS-SFHVURJKSA-N 1 0 399.329 2.986 20 0 GFADRO C[NH2+][C@@H](C(=O)N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1)c1cnn(C)c1 ZINC000262182513 553167032 /nfs/dbraw/zinc/16/70/32/553167032.db2.gz LEBORIGSRMUFKC-HZPDHXFCSA-N 1 0 383.279 2.588 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CN1CC[NH2+]C[C@H]1c1cccnc1 ZINC000262206720 553167510 /nfs/dbraw/zinc/16/75/10/553167510.db2.gz LCWISTAWKRABDT-KRWDZBQOSA-N 1 0 389.297 2.738 20 0 GFADRO O=S(=O)(c1ccc(Br)cc1F)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000262319765 553168949 /nfs/dbraw/zinc/16/89/49/553168949.db2.gz QWCMHXRDXCBZKE-CQSZACIVSA-N 1 0 391.306 2.741 20 0 GFADRO O=C(CCc1ncc(-c2ccccc2Br)o1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000262477088 553171474 /nfs/dbraw/zinc/17/14/74/553171474.db2.gz QIKSHNNNUOVWML-BETUJISGSA-N 1 0 390.281 2.715 20 0 GFADRO C[NH2+]CCC(=O)N[C@@H](c1ccc(Cl)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000262509559 553171754 /nfs/dbraw/zinc/17/17/54/553171754.db2.gz JLKVXZQAHOJANB-SFHVURJKSA-N 1 0 380.897 2.559 20 0 GFADRO C[NH2+]C[C@H]1CCN(C(=O)[C@@H](CCOC)Cc2cccc(Br)c2)C1 ZINC000262583929 553172995 /nfs/dbraw/zinc/17/29/95/553172995.db2.gz SDVIIYDBYKXTLN-CVEARBPZSA-N 1 0 383.330 2.712 20 0 GFADRO CCC[C@](C)([NH3+])C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(CC)CC)c1 ZINC000262609476 553173033 /nfs/dbraw/zinc/17/30/33/553173033.db2.gz CKOAMWNEJPAHLB-INIZCTEOSA-N 1 0 375.922 2.827 20 0 GFADRO O=C(c1ccn(-c2cccc(Br)c2)n1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262626876 553173494 /nfs/dbraw/zinc/17/34/94/553173494.db2.gz LDJTYMDEFKEUDQ-KGLIPLIRSA-N 1 0 375.270 2.601 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCCN(S(=O)(=O)c2cccc(Cl)c2Br)C1 ZINC000262754094 553174992 /nfs/dbraw/zinc/17/49/92/553174992.db2.gz HJDMFZFLVUXQNJ-UWVGGRQHSA-N 1 0 381.723 2.850 20 0 GFADRO O=S(=O)(NCC[C@@H]1CCC[NH2+]C1)c1cccc(Cl)c1Br ZINC000262765615 553175266 /nfs/dbraw/zinc/17/52/66/553175266.db2.gz KRUUZURGNXNBEP-JTQLQIEISA-N 1 0 381.723 2.771 20 0 GFADRO C[C@H]1C[C@H](NC(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CCCC2)CC[NH2+]1 ZINC000262788178 553175765 /nfs/dbraw/zinc/17/57/65/553175765.db2.gz CVYOSNMDINHGQW-DZGCQCFKSA-N 1 0 384.929 2.683 20 0 GFADRO [NH3+]Cc1cc(C(=O)NC[C@H]2CCN(c3cccc(Br)c3)C2)co1 ZINC000262788345 553175789 /nfs/dbraw/zinc/17/57/89/553175789.db2.gz NDCYVKVQIHBIFU-GFCCVEGCSA-N 1 0 378.270 2.757 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)[C@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)CC[NH2+]1 ZINC000262810136 553176213 /nfs/dbraw/zinc/17/62/13/553176213.db2.gz FUTJKHXAQRWDPB-AXAPSJFSSA-N 1 0 384.307 2.855 20 0 GFADRO O=C(NCc1ccc(Br)c(F)c1)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000262876356 553177886 /nfs/dbraw/zinc/17/78/86/553177886.db2.gz YIZKASRSGSIXNM-GFCCVEGCSA-N 1 0 381.249 2.639 20 0 GFADRO O=C(Cc1csc(COc2ccc(Cl)cc2)n1)NCC1=CC[NH2+]CC1 ZINC000263023149 553180616 /nfs/dbraw/zinc/18/06/16/553180616.db2.gz AXYMAGGLKKVYTP-UHFFFAOYSA-N 1 0 377.897 2.954 20 0 GFADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNCc1ccc(CSC(F)F)o1 ZINC000263653325 553190466 /nfs/dbraw/zinc/19/04/66/553190466.db2.gz DTHCVYBILCCBKN-HNNXBMFYSA-N 1 0 375.485 2.768 20 0 GFADRO C[NH2+]CCN(C)C(=O)NCCOc1ccc(Br)cc1C(F)(F)F ZINC000417944845 563892379 /nfs/dbraw/zinc/89/23/79/563892379.db2.gz CRVKHBOMLXWDPO-UHFFFAOYSA-N 1 0 398.223 2.708 20 0 GFADRO CCS(=O)(=O)N1CCC(C[NH2+][C@@H](C)c2ncc(Br)s2)CC1 ZINC000543628629 564355909 /nfs/dbraw/zinc/35/59/09/564355909.db2.gz UYODGHZYGMWDEQ-JTQLQIEISA-N 1 0 396.376 2.618 20 0 GFADRO C[C@H]1CC[N@H+](C)CCN1C(=O)NCc1cc(F)c(F)cc1Br ZINC000511358238 564369318 /nfs/dbraw/zinc/36/93/18/564369318.db2.gz GDBXNCLTLNLEGV-JTQLQIEISA-N 1 0 376.245 2.963 20 0 GFADRO CCc1sc(C(=O)NC[C@H]2CCC[N@@H+]2CCCO)cc1Br ZINC000452346002 564406835 /nfs/dbraw/zinc/40/68/35/564406835.db2.gz TUYDAEGABSOSSA-LLVKDONJSA-N 1 0 375.332 2.650 20 0 GFADRO C[C@H]([NH2+][C@H](CO)C1CCOCC1)c1ccc(F)c(I)c1 ZINC000453198009 564449361 /nfs/dbraw/zinc/44/93/61/564449361.db2.gz UNFUESUTUQDHPY-ZUZCIYMTSA-N 1 0 393.240 2.868 20 0 GFADRO C[C@@H]([NH2+]C[C@@H]1CCCN1CCCO)c1ccc(I)cc1 ZINC000453260781 564450885 /nfs/dbraw/zinc/45/08/85/564450885.db2.gz RLYUCAWMENDQFX-CJNGLKHVSA-N 1 0 388.293 2.789 20 0 GFADRO COc1cc(C)c(Br)cc1S(=O)(=O)NC1(C[NH+](C)C)CCC1 ZINC000546906192 564473627 /nfs/dbraw/zinc/47/36/27/564473627.db2.gz OSIJBJQJYJBSLX-UHFFFAOYSA-N 1 0 391.331 2.529 20 0 GFADRO CC(C)[N@H+](C)CC1CCN(S(=O)(=O)c2ccc(Br)o2)CC1 ZINC000546778474 564468137 /nfs/dbraw/zinc/46/81/37/564468137.db2.gz ZMVZCKVQQNZPCP-UHFFFAOYSA-N 1 0 379.320 2.783 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]CCCCCCO ZINC000295508758 563251093 /nfs/dbraw/zinc/25/10/93/563251093.db2.gz UQETYOOLOFDFLL-ZDUSSCGKSA-N 1 0 387.318 2.605 20 0 GFADRO C[C@H]1CCN(S(=O)(=O)c2cc(Br)sc2Cl)C[C@@H]1C[NH3+] ZINC000420484738 563265902 /nfs/dbraw/zinc/26/59/02/563265902.db2.gz YNJNZSKQWDGYMO-YUMQZZPRSA-N 1 0 387.752 2.769 20 0 GFADRO CC[C@H]([NH2+]C[C@@]1(O)CCS(=O)(=O)C1)c1ccc(Br)cc1Cl ZINC000296448741 563287742 /nfs/dbraw/zinc/28/77/42/563287742.db2.gz MQMHBYRHZBCZFR-KBPBESRZSA-N 1 0 396.734 2.693 20 0 GFADRO COc1c(Br)cc(Cl)cc1NC(=O)C1(OC)CC[NH2+]CC1 ZINC000313943688 563438407 /nfs/dbraw/zinc/43/84/07/563438407.db2.gz ITJCDRNMJRHWEJ-UHFFFAOYSA-N 1 0 377.666 2.818 20 0 GFADRO CC[N@H+](C)C[C@H]1CCN(c2c(Br)cccc2S(C)(=O)=O)C1 ZINC000283421292 563444510 /nfs/dbraw/zinc/44/45/10/563444510.db2.gz AUZRAAHWKIPZFV-GFCCVEGCSA-N 1 0 375.332 2.631 20 0 GFADRO O[C@@H](COc1cccc(Br)c1)C[NH+]1CCC(O)(C(F)(F)F)CC1 ZINC000330509644 563509018 /nfs/dbraw/zinc/50/90/18/563509018.db2.gz JFDWYSWMVQQULM-GFCCVEGCSA-N 1 0 398.219 2.578 20 0 GFADRO C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000429119370 563510140 /nfs/dbraw/zinc/51/01/40/563510140.db2.gz YPKJFWGMVXNCAT-MNOVXSKESA-N 1 0 375.694 2.986 20 0 GFADRO CC(C)OCCOC[C@H](O)C[N@H+](C)Cc1cccc(Br)c1F ZINC000294702132 563213168 /nfs/dbraw/zinc/21/31/68/563213168.db2.gz FEPATTFSBKTWOH-CQSZACIVSA-N 1 0 378.282 2.823 20 0 GFADRO [NH3+]C[C@H](NC(=O)NCc1nc2c(cccc2Br)[nH]1)C1CCCC1 ZINC000418263567 563214834 /nfs/dbraw/zinc/21/48/34/563214834.db2.gz JRHGXLRERGMONM-ZDUSSCGKSA-N 1 0 380.290 2.642 20 0 GFADRO CCCN(C(=O)NCc1nc2c(cccc2Br)[nH]1)[C@@H]1CC[NH2+]C1 ZINC000418270860 563215061 /nfs/dbraw/zinc/21/50/61/563215061.db2.gz SLQQACSJDXSPBR-LLVKDONJSA-N 1 0 380.290 2.609 20 0 GFADRO Cn1ncc(Br)c1C(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000294765552 563215923 /nfs/dbraw/zinc/21/59/23/563215923.db2.gz JONUTEGRMDJVRE-HNNXBMFYSA-N 1 0 377.286 2.750 20 0 GFADRO COc1ccc(S(=O)(=O)NC[C@H]2CC[N@H+](C)[C@@H]2c2cccs2)cc1F ZINC000369540328 563216370 /nfs/dbraw/zinc/21/63/70/563216370.db2.gz NGCCSJGRRLPGGN-PXAZEXFGSA-N 1 0 384.498 2.867 20 0 GFADRO [NH3+]C1CCC(NC(=O)N2CCO[C@H](c3cccc(Br)c3)C2)CC1 ZINC000418377426 563216662 /nfs/dbraw/zinc/21/66/62/563216662.db2.gz BQSKTKQWANGWEM-GPANFISMSA-N 1 0 382.302 2.802 20 0 GFADRO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)N(CCO)Cc1ccc(Br)s1 ZINC000418405814 563216954 /nfs/dbraw/zinc/21/69/54/563216954.db2.gz DRBPTXGUSDBREF-YPMHNXCESA-N 1 0 390.347 2.532 20 0 GFADRO C[NH2+]C[C@H](C)CNC(=O)N1CCC(Nc2cccc(Br)c2)CC1 ZINC000418401716 563217043 /nfs/dbraw/zinc/21/70/43/563217043.db2.gz YPOXXUYHOKYFMV-ZDUSSCGKSA-N 1 0 383.334 2.891 20 0 GFADRO CC(C)C[C@H](C[NH3+])NC(=O)N1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000418422323 563217271 /nfs/dbraw/zinc/21/72/71/563217271.db2.gz AMWNVKMUCGYENR-CVEARBPZSA-N 1 0 384.318 2.905 20 0 GFADRO CC[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)NC[C@H](C)C[NH3+])CC1 ZINC000418495313 563218806 /nfs/dbraw/zinc/21/88/06/563218806.db2.gz UEDGWTVZDUCWMM-PBHICJAKSA-N 1 0 397.361 2.822 20 0 GFADRO COCC[NH2+]CCNC(=O)N1CCC(C)(c2ccc(Br)cc2)CC1 ZINC000418505923 563218879 /nfs/dbraw/zinc/21/88/79/563218879.db2.gz GLTKMGGSYQDQEJ-UHFFFAOYSA-N 1 0 398.345 2.748 20 0 GFADRO C[C@H](CC[NH3+])NC(=O)N1CCN([C@H](C)c2ccc(Br)cc2)CC1 ZINC000418522105 563219614 /nfs/dbraw/zinc/21/96/14/563219614.db2.gz JACCVLJQPVJJEB-ZIAGYGMSSA-N 1 0 383.334 2.575 20 0 GFADRO O=C(NCC[C@H]1CCC[NH2+]1)N[C@@H](CO)c1ccc(Cl)cc1C(F)(F)F ZINC000418551489 563220092 /nfs/dbraw/zinc/22/00/92/563220092.db2.gz QDJVEHFYYFYPCP-RISCZKNCSA-N 1 0 379.810 2.834 20 0 GFADRO C[C@@]1(CNC(=O)N[C@@H](CCO)c2ccccc2Br)CCC[NH2+]C1 ZINC000418550925 563220320 /nfs/dbraw/zinc/22/03/20/563220320.db2.gz UFJGNCKJLVAYGI-DOTOQJQBSA-N 1 0 384.318 2.562 20 0 GFADRO COCCN(Cc1ccc(Br)s1)C(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000418567385 563220336 /nfs/dbraw/zinc/22/03/36/563220336.db2.gz GLAVNHIVCWZGRS-AAEUAGOBSA-N 1 0 390.347 2.667 20 0 GFADRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N(C)[C@@H]1CCOc2ccc(Br)cc21 ZINC000418587952 563220923 /nfs/dbraw/zinc/22/09/23/563220923.db2.gz HIMKAEDLHBEPBN-KCPJHIHWSA-N 1 0 382.302 2.912 20 0 GFADRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N(C)[C@H]1CCOc2ccc(Br)cc21 ZINC000418585277 563221024 /nfs/dbraw/zinc/22/10/24/563221024.db2.gz YHORQUABSRDABO-UGFHNGPFSA-N 1 0 382.302 2.912 20 0 GFADRO CC1(C)CCC[NH2+][C@H]1CNC(=O)N(CCO)Cc1cccc(Br)c1 ZINC000418635681 563221346 /nfs/dbraw/zinc/22/13/46/563221346.db2.gz HELIBSBMGAQATF-INIZCTEOSA-N 1 0 398.345 2.731 20 0 GFADRO O=S(=O)(Cc1ccccc1C(F)(F)F)NCC1CC[NH+](C2CC2)CC1 ZINC000277695163 563221411 /nfs/dbraw/zinc/22/14/11/563221411.db2.gz KJKWIELLCPDZLT-UHFFFAOYSA-N 1 0 376.444 2.999 20 0 GFADRO CC1(C)CCC[NH2+][C@H]1CNC(=O)N[C@H](CO)c1ccc(Br)cc1 ZINC000418610994 563221679 /nfs/dbraw/zinc/22/16/79/563221679.db2.gz HCIGPOIKFUDDFZ-CABCVRRESA-N 1 0 384.318 2.560 20 0 GFADRO COc1ccc(Br)c(C(=O)NCCC[NH2+][C@@H]2CSC[C@@H]2C)c1 ZINC000294916368 563221719 /nfs/dbraw/zinc/22/17/19/563221719.db2.gz CLJGUQGZAZSXNM-XHDPSFHLSA-N 1 0 387.343 2.919 20 0 GFADRO CC1(c2cccc(Br)c2)CCN(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000418675691 563221897 /nfs/dbraw/zinc/22/18/97/563221897.db2.gz RXVAWVAVEKNAOD-ZSHCYNCHSA-N 1 0 378.314 2.730 20 0 GFADRO O=C(N[C@@H]1C[C@H]1C1CC[NH2+]CC1)N1CCN(Cc2ccc(Cl)s2)CC1 ZINC000418654607 563222054 /nfs/dbraw/zinc/22/20/54/563222054.db2.gz AXVQLJSAXBMPDH-JKSUJKDBSA-N 1 0 382.961 2.617 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)N1CCC[C@@H]([C@H](O)C(F)(F)F)C1)c1cccs1 ZINC000277709163 563222241 /nfs/dbraw/zinc/22/22/41/563222241.db2.gz IUKRHSHIMPFINU-BZPMIXESSA-N 1 0 379.448 2.696 20 0 GFADRO C[C@H](C[NH2+]CC1CCN(S(=O)(=O)C(F)F)CC1)c1cc(F)cc(F)c1 ZINC000294941226 563223021 /nfs/dbraw/zinc/22/30/21/563223021.db2.gz DVBBNOYTWDWQPH-LLVKDONJSA-N 1 0 382.423 2.922 20 0 GFADRO COCCN(Cc1cc(Br)cs1)C(=O)N[C@@H](C)CCC[NH3+] ZINC000418693973 563223052 /nfs/dbraw/zinc/22/30/52/563223052.db2.gz VHRUMYKQCYRNOS-NSHDSACASA-N 1 0 378.336 2.796 20 0 GFADRO CC[NH+](CC)[C@@H](CNC(=O)C[S@](=O)CC)c1ccc(C(F)(F)F)cc1 ZINC000294952818 563223094 /nfs/dbraw/zinc/22/30/94/563223094.db2.gz WAQCRXPACQHWNZ-ODCWNRFASA-N 1 0 378.460 2.973 20 0 GFADRO [NH3+][C@H]1CCC[C@@H](CNC(=O)N2CCC(n3cc(Br)cn3)CC2)C1 ZINC000418739813 563223360 /nfs/dbraw/zinc/22/33/60/563223360.db2.gz NFHZCDPZLCWBPX-OCCSQVGLSA-N 1 0 384.322 2.510 20 0 GFADRO O=C(COc1ccc(Br)cc1F)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000369773713 563224420 /nfs/dbraw/zinc/22/44/20/563224420.db2.gz QJAHNAXLBPKINJ-DOMZBBRYSA-N 1 0 385.277 2.958 20 0 GFADRO O=C1CCCN1CC1CC[NH+](C[C@H](O)c2cccc(Br)c2)CC1 ZINC000369781628 563224989 /nfs/dbraw/zinc/22/49/89/563224989.db2.gz HWHZOOYFVLPVLK-KRWDZBQOSA-N 1 0 381.314 2.817 20 0 GFADRO COC(=O)c1cc(CN(C)[C@H](CO)c2cc(OC)ccc2Br)c[nH]1 ZINC000295014814 563225162 /nfs/dbraw/zinc/22/51/62/563225162.db2.gz MMZGTSNIPZPTQM-MRXNPFEDSA-N 1 0 397.269 2.738 20 0 GFADRO O=C(N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)N1CCc2cc(Br)ccc2C1 ZINC000418796851 563225773 /nfs/dbraw/zinc/22/57/73/563225773.db2.gz RNPSWYVFKWSYLC-YSVLISHTSA-N 1 0 378.314 2.905 20 0 GFADRO COCCN(Cc1sccc1Br)C(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000418804330 563225842 /nfs/dbraw/zinc/22/58/42/563225842.db2.gz ZDELERNMQXJKPY-NEPJUHHUSA-N 1 0 390.347 2.796 20 0 GFADRO O=C(N[C@H](CCO)c1ccccc1Br)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000418807083 563225848 /nfs/dbraw/zinc/22/58/48/563225848.db2.gz YYAVBEGAYFTCLK-VMUDFCTBSA-N 1 0 396.329 2.560 20 0 GFADRO Cn1cc([C@H]2[C@@H](CNC(=O)c3nc(Cl)ccc3Cl)CCC[N@@H+]2C)cn1 ZINC000369819464 563225852 /nfs/dbraw/zinc/22/58/52/563225852.db2.gz OCWVKGXUQQITEK-BDJLRTHQSA-N 1 0 382.295 2.935 20 0 GFADRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)N2CCO[C@@H](c3cccc(Br)c3)C2)C1 ZINC000418788289 563225956 /nfs/dbraw/zinc/22/59/56/563225956.db2.gz KSDGPCQHRBSORI-DAXOMENPSA-N 1 0 382.302 2.659 20 0 GFADRO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N[C@H](C)c1cc(F)c(Cl)cc1Cl ZINC000418848511 563227409 /nfs/dbraw/zinc/22/74/09/563227409.db2.gz LMNUTAOLOSVOHU-NXEZZACHSA-N 1 0 376.259 2.520 20 0 GFADRO C[C@H](NC(=O)C(=O)N[C@H]1CCCC[NH2+]C1)c1cc(F)c(Cl)cc1Cl ZINC000418856673 563228284 /nfs/dbraw/zinc/22/82/84/563228284.db2.gz XEJYJIHAEBKGBF-UWVGGRQHSA-N 1 0 376.259 2.568 20 0 GFADRO CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1([NH3+])C(=O)NC[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000369929871 563228673 /nfs/dbraw/zinc/22/86/73/563228673.db2.gz JMCQBCSSMSDGLL-OIPACUDHSA-N 1 0 387.307 2.676 20 0 GFADRO CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)NC[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000369929865 563228959 /nfs/dbraw/zinc/22/89/59/563228959.db2.gz JMCQBCSSMSDGLL-AFIMGQEJSA-N 1 0 387.307 2.676 20 0 GFADRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)c2cccnc2-n2cc(Br)cn2)C1 ZINC000295111410 563229346 /nfs/dbraw/zinc/22/93/46/563229346.db2.gz LIKGUVLJRGJIGE-KGLIPLIRSA-N 1 0 392.301 2.632 20 0 GFADRO C[C@@H]1CN(C(=O)C(=O)N[C@H]2C[C@H](c3ccc(Cl)c(Cl)c3)C2)C[C@@H](C)[NH2+]1 ZINC000418891915 563229468 /nfs/dbraw/zinc/22/94/68/563229468.db2.gz MQOOTKVNTKGAPW-HBJVGIJOSA-N 1 0 384.307 2.564 20 0 GFADRO CC[NH2+][C@H](C)CNC(=O)C(=O)N[C@@H](c1ccc(Br)cc1)C1CCC1 ZINC000418945254 563231137 /nfs/dbraw/zinc/23/11/37/563231137.db2.gz MOEVTIGLBTXHJB-MLGOLLRUSA-N 1 0 396.329 2.521 20 0 GFADRO CCCC[C@@H](C[NH3+])NC(=O)C(=O)N[C@@H](C)CCc1ccc(Br)cc1 ZINC000419026082 563232367 /nfs/dbraw/zinc/23/23/67/563232367.db2.gz UAPIYSFGHXFWPP-BBRMVZONSA-N 1 0 398.345 2.520 20 0 GFADRO CC[C@H](Cc1ccccc1Br)NC(=O)C(=O)NCC([NH3+])(CC)CC ZINC000419053152 563233034 /nfs/dbraw/zinc/23/30/34/563233034.db2.gz JFZRECDSBXJCLE-CQSZACIVSA-N 1 0 398.345 2.520 20 0 GFADRO Cc1ccc(Br)c(CNC(=O)C(=O)NCC2([NH3+])CCCCCC2)c1 ZINC000419072344 563233209 /nfs/dbraw/zinc/23/32/09/563233209.db2.gz QTFCKICXZGRZPF-UHFFFAOYSA-N 1 0 396.329 2.542 20 0 GFADRO CC[C@@H](NC(=O)C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1)c1ccc(Cl)s1 ZINC000419043811 563233340 /nfs/dbraw/zinc/23/33/40/563233340.db2.gz RWACKJRCPVMFLX-ZIAGYGMSSA-N 1 0 383.945 2.959 20 0 GFADRO C[NH2+]CCCN(C)C(=O)C(=O)NCC1(c2ccc(Cl)cc2Cl)CCC1 ZINC000419133743 563234890 /nfs/dbraw/zinc/23/48/90/563234890.db2.gz GHNIYTVGCJKVNN-UHFFFAOYSA-N 1 0 386.323 2.599 20 0 GFADRO C[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000419279018 563235957 /nfs/dbraw/zinc/23/59/57/563235957.db2.gz IHTHJLPOHZTZQE-BZNIZROVSA-N 1 0 386.323 2.674 20 0 GFADRO C[C@@H](NC(=O)C(=O)NC[C@H]1[NH2+]CCCC1(C)C)c1cccc(Br)c1 ZINC000419286070 563236219 /nfs/dbraw/zinc/23/62/19/563236219.db2.gz NSTKXCJIUVMKBB-IUODEOHRSA-N 1 0 396.329 2.521 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]CC1(O)CCCCC1 ZINC000295214010 563236336 /nfs/dbraw/zinc/23/63/36/563236336.db2.gz QHNDIHUNKFXAIV-ZDUSSCGKSA-N 1 0 399.329 2.747 20 0 GFADRO CCCN(C(=O)C(=O)N[C@H](C)Cc1ccc(Cl)cc1Cl)[C@H]1CC[NH2+]C1 ZINC000419288839 563236390 /nfs/dbraw/zinc/23/63/90/563236390.db2.gz TZOGGRLIMBOOKO-DOMZBBRYSA-N 1 0 386.323 2.641 20 0 GFADRO CC[C@H]([NH2+]CC(=O)NCC(=O)Nc1ccccc1Br)[C@H]1CC1(C)C ZINC000419314961 563237055 /nfs/dbraw/zinc/23/70/55/563237055.db2.gz IYHYVQIQZZENDP-OCCSQVGLSA-N 1 0 396.329 2.918 20 0 GFADRO COCCO[C@@H]1C[C@H](CO)C[N@H+](CCCc2ccccc2Br)C1 ZINC000278030591 563237574 /nfs/dbraw/zinc/23/75/74/563237574.db2.gz BHHUQTIYZKFXGG-DOTOQJQBSA-N 1 0 386.330 2.728 20 0 GFADRO C[NH2+]C1CCN(C(=O)C(=O)N[C@H](C)c2c(Cl)ccc(F)c2Cl)CC1 ZINC000419338622 563237656 /nfs/dbraw/zinc/23/76/56/563237656.db2.gz LPTHWBGTWGXGQM-SECBINFHSA-N 1 0 376.259 2.520 20 0 GFADRO COCCO[C@H]1C[C@H](CO)C[N@H+](CCCc2ccccc2Br)C1 ZINC000278030596 563237756 /nfs/dbraw/zinc/23/77/56/563237756.db2.gz BHHUQTIYZKFXGG-RDJZCZTQSA-N 1 0 386.330 2.728 20 0 GFADRO C[C@H](NC(=O)C(=O)NCC[C@H]1CCC[NH2+]C1)c1c(Cl)ccc(F)c1Cl ZINC000419347347 563238475 /nfs/dbraw/zinc/23/84/75/563238475.db2.gz WLCWLFSCIRRRTN-WDEREUQCSA-N 1 0 390.286 2.816 20 0 GFADRO C[C@@H]1CN(C(=O)N[C@H]2CCc3c2cccc3Br)[C@@H](C)C[N@@H+]1CCO ZINC000419438503 563240339 /nfs/dbraw/zinc/24/03/39/563240339.db2.gz HTYHEZGGULMTID-IGCXYCKISA-N 1 0 396.329 2.533 20 0 GFADRO C[C@H](CNC(=O)C(=O)N[C@H]1CCCC[C@@H]1C[NH3+])c1c(Cl)cccc1Cl ZINC000419521605 563241311 /nfs/dbraw/zinc/24/13/11/563241311.db2.gz RVRATDDQBOALSO-JMSVASOKSA-N 1 0 386.323 2.847 20 0 GFADRO C[C@H](C(=O)Nc1ccccc1Br)N1CC[NH+]([C@H]2CCSC2)CC1 ZINC000370414385 563243352 /nfs/dbraw/zinc/24/33/52/563243352.db2.gz KDICEBIIKQKZHI-KGLIPLIRSA-N 1 0 398.370 2.899 20 0 GFADRO [NH3+]C[C@@H](NC(=O)C(=O)NCc1cc(Cl)sc1Cl)C1CCCCC1 ZINC000419618334 563243792 /nfs/dbraw/zinc/24/37/92/563243792.db2.gz BRPHWDMVPJDOMV-LLVKDONJSA-N 1 0 378.325 2.695 20 0 GFADRO C[NH2+][C@@H](C)CNC(=O)C(=O)N[C@@H](C)c1ccc(-c2ccc(Cl)cc2)s1 ZINC000419616479 563244089 /nfs/dbraw/zinc/24/40/89/563244089.db2.gz STBGRXYRMXWTTQ-RYUDHWBXSA-N 1 0 379.913 2.970 20 0 GFADRO C[C@H](NC(=O)C(=O)NCC1C[NH2+]C1)c1ccc(-c2ccc(Cl)cc2)s1 ZINC000419615411 563244109 /nfs/dbraw/zinc/24/41/09/563244109.db2.gz PYOKLXODUKFSQH-NSHDSACASA-N 1 0 377.897 2.581 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]C[C@H]1CCO[C@H](C)C1 ZINC000295400004 563245394 /nfs/dbraw/zinc/24/53/94/563245394.db2.gz MBKNDWKOTNPHFR-RDBSUJKOSA-N 1 0 399.329 2.867 20 0 GFADRO CN(CC(C)(C)C[NH3+])C(=O)C(=O)NCC(C)(C)c1c(Cl)cccc1Cl ZINC000419692167 563246307 /nfs/dbraw/zinc/24/63/07/563246307.db2.gz GFGNIYRPWGGJEX-UHFFFAOYSA-N 1 0 388.339 2.831 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+]CCc2ccccc2OC(F)F)cc1Cl ZINC000419693461 563246351 /nfs/dbraw/zinc/24/63/51/563246351.db2.gz IQNLGJPILBZESU-UHFFFAOYSA-N 1 0 390.839 2.921 20 0 GFADRO C[N@@H+]1CC[C@@H]2CCN([C@@H]3CCN(c4cccc(Br)c4)C3=O)C[C@H]21 ZINC000370501327 563246535 /nfs/dbraw/zinc/24/65/35/563246535.db2.gz VZFCQCQOSJEPIY-KBRIMQKVSA-N 1 0 378.314 2.580 20 0 GFADRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)NCC(C)(C)c1c(Cl)cccc1Cl ZINC000419698795 563246805 /nfs/dbraw/zinc/24/68/05/563246805.db2.gz UGVAWGSBUNBIPZ-FZMZJTMJSA-N 1 0 386.323 2.501 20 0 GFADRO C[NH2+]C[C@H]1CCN(C(=O)C(=O)NCc2sc3ccc(Cl)cc3c2C)C1 ZINC000419713209 563247532 /nfs/dbraw/zinc/24/75/32/563247532.db2.gz RRMNILLMFIAJSN-GFCCVEGCSA-N 1 0 379.913 2.547 20 0 GFADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)COc1ccccc1Br ZINC000278278099 563247858 /nfs/dbraw/zinc/24/78/58/563247858.db2.gz ACDZNGWGZHCVCC-CQSZACIVSA-N 1 0 397.313 2.540 20 0 GFADRO CC[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)N1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000419745968 563249652 /nfs/dbraw/zinc/24/96/52/563249652.db2.gz BIIPNVMOFUBNFG-OSAQELSMSA-N 1 0 386.323 2.626 20 0 GFADRO C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000295482424 563249782 /nfs/dbraw/zinc/24/97/82/563249782.db2.gz YUFCFZLRMKSTIL-ZJUUUORDSA-N 1 0 385.251 2.876 20 0 GFADRO CC[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)N(C)C1CC[NH2+]CC1 ZINC000419768232 563250131 /nfs/dbraw/zinc/25/01/31/563250131.db2.gz KJFYKEMOGVXSTI-AWEZNQCLSA-N 1 0 386.323 2.641 20 0 GFADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)Cc1ccc(F)c(Br)c1 ZINC000278331494 563250203 /nfs/dbraw/zinc/25/02/03/563250203.db2.gz BHIXHZBZCXILMI-ZDUSSCGKSA-N 1 0 399.304 2.842 20 0 GFADRO CC[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000419762729 563250385 /nfs/dbraw/zinc/25/03/85/563250385.db2.gz DXGIZZHANIZABK-SWLSCSKDSA-N 1 0 386.323 2.547 20 0 GFADRO [NH3+]CCCCNC(=O)C(=O)N(Cc1ccccc1Br)C1CCCC1 ZINC000419835482 563251938 /nfs/dbraw/zinc/25/19/38/563251938.db2.gz VZDXWWCDRFKWIL-UHFFFAOYSA-N 1 0 396.329 2.575 20 0 GFADRO CC(C)N(Cc1ccc(Br)cc1)C(=O)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000419902105 563252262 /nfs/dbraw/zinc/25/22/62/563252262.db2.gz VJQAJKUKTCHISZ-HZPDHXFCSA-N 1 0 396.329 2.572 20 0 GFADRO C[C@@H]1c2c(Cl)cc(Cl)cc2CCN1C(=O)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000419879629 563252350 /nfs/dbraw/zinc/25/23/50/563252350.db2.gz GRPRNKLAMCDLQN-NEPJUHHUSA-N 1 0 384.307 2.555 20 0 GFADRO C[C@@H]1c2c(Cl)cc(Cl)cc2CCN1C(=O)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000419879636 563252392 /nfs/dbraw/zinc/25/23/92/563252392.db2.gz GRPRNKLAMCDLQN-VXGBXAGGSA-N 1 0 384.307 2.555 20 0 GFADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C[C@@H](O)c1ccc(Br)cc1 ZINC000278381722 563252958 /nfs/dbraw/zinc/25/29/58/563252958.db2.gz CXGBCNWMPGDKMF-RDTXWAMCSA-N 1 0 383.330 2.668 20 0 GFADRO O=C(NC[C@H]1CCC[C@H]1[NH+]1CCOCC1)c1cc(F)cc(Br)c1 ZINC000370777554 563254703 /nfs/dbraw/zinc/25/47/03/563254703.db2.gz ZFASFSXKUZKEOY-MLGOLLRUSA-N 1 0 385.277 2.819 20 0 GFADRO C[NH+]1CCC(C(=O)NCc2ccc(Cl)cc2I)CC1 ZINC000278439237 563255739 /nfs/dbraw/zinc/25/57/39/563255739.db2.gz VSYVVCUOYCNOJO-UHFFFAOYSA-N 1 0 392.668 2.903 20 0 GFADRO O=C(Cc1cn2ccccc2n1)N1CCC(n2cc(Br)cn2)CC1 ZINC000370800482 563255819 /nfs/dbraw/zinc/25/58/19/563255819.db2.gz GMWYMOCUNBWHQA-UHFFFAOYSA-N 1 0 388.269 2.700 20 0 GFADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+]CC1(C)CCOCC1 ZINC000295665841 563256833 /nfs/dbraw/zinc/25/68/33/563256833.db2.gz JRPLPVOOHVLQBV-CYBMUJFWSA-N 1 0 399.329 2.869 20 0 GFADRO O=S1(=O)CC[C@@]2(C1)C[C@@H]([NH2+]CCCc1c(F)cccc1Cl)CCO2 ZINC000278461546 563257231 /nfs/dbraw/zinc/25/72/31/563257231.db2.gz FBPQFROLZPQIMO-GUYCJALGSA-N 1 0 375.893 2.738 20 0 GFADRO CCCC[C@@H](C[NH3+])NC(=O)C(=O)N(Cc1cccc(Br)c1)C(C)C ZINC000420127098 563258785 /nfs/dbraw/zinc/25/87/85/563258785.db2.gz RIPWRPRNYHLILK-INIZCTEOSA-N 1 0 398.345 2.820 20 0 GFADRO Cc1nc(CN2CCC(C[NH2+]Cc3c(Br)cnn3C)CC2)oc1C ZINC000278494063 563258940 /nfs/dbraw/zinc/25/89/40/563258940.db2.gz MMQKVVRFVCNHNY-UHFFFAOYSA-N 1 0 396.333 2.789 20 0 GFADRO C[NH2+][C@@H](C)CNC(=O)C(=O)N1CCC(=Cc2cc(Cl)ccc2Cl)CC1 ZINC000420134977 563259095 /nfs/dbraw/zinc/25/90/95/563259095.db2.gz DPSGBIMEBTUFSE-LBPRGKRZSA-N 1 0 384.307 2.723 20 0 GFADRO CC(C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000420183698 563259825 /nfs/dbraw/zinc/25/98/25/563259825.db2.gz AATSOCLDKABYIJ-TZMCWYRMSA-N 1 0 386.323 2.974 20 0 GFADRO Cn1cc([C@H]2[C@H](CNC(=O)c3coc(Br)c3)CCC[N@@H+]2C)cn1 ZINC000370912322 563259837 /nfs/dbraw/zinc/25/98/37/563259837.db2.gz SRXNHILIGNPDLA-XHDPSFHLSA-N 1 0 381.274 2.589 20 0 GFADRO Cc1cc(Br)oc1C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1 ZINC000370911113 563259908 /nfs/dbraw/zinc/25/99/08/563259908.db2.gz LBTWEMCTLKUXRR-SWLSCSKDSA-N 1 0 395.301 2.897 20 0 GFADRO COC(=O)COC[C@H](C)[NH2+]C1CCN(Cc2ccc(Br)cc2)CC1 ZINC000295774317 563261440 /nfs/dbraw/zinc/26/14/40/563261440.db2.gz RAPVCUXGQSFDET-AWEZNQCLSA-N 1 0 399.329 2.581 20 0 GFADRO C[C@@H](NC(=O)c1ccc(I)cc1F)C1=CC[N@H+](C)CC1 ZINC000295759383 563261547 /nfs/dbraw/zinc/26/15/47/563261547.db2.gz OSLJPZVTFVJNQL-SNVBAGLBSA-N 1 0 388.224 2.811 20 0 GFADRO [NH3+]C[C@H](NCCS(=O)(=O)c1ccc(Br)cc1)C1CCCCC1 ZINC000420361225 563262828 /nfs/dbraw/zinc/26/28/28/563262828.db2.gz MXWFWWMJVHRBJQ-INIZCTEOSA-N 1 0 389.359 2.720 20 0 GFADRO Cc1ccc(C(=O)N2CCC(CC[NH+]3CCOCC3)CC2)c(Br)n1 ZINC000371052785 563263713 /nfs/dbraw/zinc/26/37/13/563263713.db2.gz GINFWCGQPSEAES-UHFFFAOYSA-N 1 0 396.329 2.727 20 0 GFADRO O=S(=O)(Cc1ccc(Br)cc1)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420467383 563264228 /nfs/dbraw/zinc/26/42/28/563264228.db2.gz SEUXMHNMGVQUBL-GDBMZVCRSA-N 1 0 387.343 2.743 20 0 GFADRO [NH3+][C@@H]1CN(S(=O)(=O)Cc2ccc(Cl)c(F)c2)C[C@H]1c1ccccc1F ZINC000420466787 563264639 /nfs/dbraw/zinc/26/46/39/563264639.db2.gz BRVYJQNSNHRQOF-SUMWQHHRSA-N 1 0 386.851 2.875 20 0 GFADRO C[N@H+](CCOCC(F)(F)F)[C@H]1CCCN(CCOCC(F)(F)F)CC1 ZINC000371096585 563265097 /nfs/dbraw/zinc/26/50/97/563265097.db2.gz AOVDQFKXRCCUMJ-ZDUSSCGKSA-N 1 0 380.373 2.931 20 0 GFADRO Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc1Br ZINC000420469928 563265202 /nfs/dbraw/zinc/26/52/02/563265202.db2.gz WEXPGLXVNVKPRQ-CZUORRHYSA-N 1 0 387.343 2.910 20 0 GFADRO Cc1cc(S(=O)(=O)N[C@@H]2CC[NH2+]CC2(C)C)c(C)cc1Br ZINC000420469083 563265254 /nfs/dbraw/zinc/26/52/54/563265254.db2.gz UXYJQQRPIKDQHK-CQSZACIVSA-N 1 0 375.332 2.732 20 0 GFADRO C[C@H](C(=O)Nc1cccc(Br)c1)N1CCC2(CCOC2=O)CC1 ZINC000371152329 563266752 /nfs/dbraw/zinc/26/67/52/563266752.db2.gz VXBLSULYMMBMPP-GFCCVEGCSA-N 1 0 381.270 2.805 20 0 GFADRO C[N@@H+]1CC[C@H](NC(=O)Cc2cc[nH]c(=O)c2Br)[C@@H]1c1ccccc1 ZINC000278690607 563267222 /nfs/dbraw/zinc/26/72/22/563267222.db2.gz PRUPUMIYDGKVGS-YOEHRIQHSA-N 1 0 390.281 2.654 20 0 GFADRO C[C@@H]1C[N@H+](CCCNC(=O)[C@@H]2COc3ccc(Br)cc32)CCCO1 ZINC000278703161 563267954 /nfs/dbraw/zinc/26/79/54/563267954.db2.gz VGZAROWBHQQTAL-CZUORRHYSA-N 1 0 397.313 2.542 20 0 GFADRO C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1NC(=O)Nc1cncc(Br)c1 ZINC000371195920 563268407 /nfs/dbraw/zinc/26/84/07/563268407.db2.gz AZASJSQIRIVFGB-KCXAZCMYSA-N 1 0 397.317 2.855 20 0 GFADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+]CCc1ccncc1 ZINC000295919011 563268578 /nfs/dbraw/zinc/26/85/78/563268578.db2.gz ZYJXKTXSBARPBI-CYBMUJFWSA-N 1 0 392.297 2.690 20 0 GFADRO O=C(CNC(=O)c1ccc(Cl)c(Cl)c1)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000371238944 563269733 /nfs/dbraw/zinc/26/97/33/563269733.db2.gz YGNKZEDSFIBZGG-CZUORRHYSA-N 1 0 384.307 2.714 20 0 GFADRO C[N@@H+]1CC[C@@H]2CCN(c3ncc(Cn4cc(Br)cn4)s3)[C@H]2C1 ZINC000278810438 563271599 /nfs/dbraw/zinc/27/15/99/563271599.db2.gz SCOUSRUWGZBJLN-RISCZKNCSA-N 1 0 382.331 2.681 20 0 GFADRO CC[N@H+](C)C[C@H]1CCN(S(=O)(=O)c2cc(Cl)ccc2OC(F)F)C1 ZINC000420667087 563271722 /nfs/dbraw/zinc/27/17/22/563271722.db2.gz IFLZMUOTAQRACJ-LLVKDONJSA-N 1 0 382.860 2.904 20 0 GFADRO CO[C@H](CC(C)C)CS(=O)(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000420670339 563272354 /nfs/dbraw/zinc/27/23/54/563272354.db2.gz UKDOPUQONNIPQT-QGZVFWFLSA-N 1 0 388.599 2.941 20 0 GFADRO C[C@@H](C[NH+]1CCC([C@@]2(C)NC(=O)NC2=O)CC1)c1cccc(Br)c1 ZINC000371331314 563272946 /nfs/dbraw/zinc/27/29/46/563272946.db2.gz GQCHHHVPFCGSDV-KPZWWZAWSA-N 1 0 394.313 2.863 20 0 GFADRO Cc1ccc(C(=O)Nc2cnc3c(c2)C[NH2+]CC3)cc1I ZINC000371454707 563277853 /nfs/dbraw/zinc/27/78/53/563277853.db2.gz IPQIIKVSOBSGIO-UHFFFAOYSA-N 1 0 393.228 2.893 20 0 GFADRO C[C@@H]1CN(C(=O)[C@H]2SCCc3sccc32)CCN1C1CC[NH+](C)CC1 ZINC000371459007 563278253 /nfs/dbraw/zinc/27/82/53/563278253.db2.gz MXUJGPNDJQBGDJ-KDOFPFPSSA-N 1 0 379.595 2.705 20 0 GFADRO Cc1ccc(S(=O)(=O)NC2CCC([NH+](C)C)CC2)cc1Br ZINC000420721178 563278678 /nfs/dbraw/zinc/27/86/78/563278678.db2.gz CSKCNDZZAHLHRA-UHFFFAOYSA-N 1 0 375.332 2.909 20 0 GFADRO COCc1c(Br)cccc1NC(=O)c1cc([C@H]2CC[NH2+]C2)[nH]n1 ZINC000278986333 563278975 /nfs/dbraw/zinc/27/89/75/563278975.db2.gz KNXXJLPIUSUJKY-JTQLQIEISA-N 1 0 379.258 2.648 20 0 GFADRO COC[C@@H]([NH2+]CC(=O)Nc1ccc(Br)cc1Cl)[C@@H]1CCCO1 ZINC000279086328 563282898 /nfs/dbraw/zinc/28/28/98/563282898.db2.gz ORNFLYGKZSATIC-KGLIPLIRSA-N 1 0 391.693 2.825 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c(Br)c1 ZINC000296334654 563283635 /nfs/dbraw/zinc/28/36/35/563283635.db2.gz YIQPEAZXOWLNRC-AGUYFDCRSA-N 1 0 394.313 2.746 20 0 GFADRO COc1cc(Br)c(C[NH2+][C@H]2CCN(c3ccn(C)n3)C2)cc1OC ZINC000371716547 563286017 /nfs/dbraw/zinc/28/60/17/563286017.db2.gz XXUIRVPCWGEPPK-ZDUSSCGKSA-N 1 0 395.301 2.568 20 0 GFADRO CSc1ccccc1NC(=O)[C@@H](C)N1CCC2(CC1)SCC(=O)N2C ZINC000371783561 563287382 /nfs/dbraw/zinc/28/73/82/563287382.db2.gz KGUDMGIBMANBMB-CYBMUJFWSA-N 1 0 379.551 2.733 20 0 GFADRO C[N@@H+]1CCC[C@@H](CNC(=O)CNCC(F)(F)F)[C@H]1c1cccc(Cl)c1 ZINC000371769803 563287490 /nfs/dbraw/zinc/28/74/90/563287490.db2.gz NBLNHRFHDFYDBX-XJKSGUPXSA-N 1 0 377.838 2.991 20 0 GFADRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)N[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000420846621 563288133 /nfs/dbraw/zinc/28/81/33/563288133.db2.gz VKIXOJKAYYZWTH-RDJZCZTQSA-N 1 0 395.345 2.763 20 0 GFADRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)N[C@@H]1COc2cc(F)c(Br)cc21 ZINC000420860914 563288745 /nfs/dbraw/zinc/28/87/45/563288745.db2.gz IYCLQHUTCRXTOL-QMTHXVAHSA-N 1 0 386.265 2.757 20 0 GFADRO Cc1c(Br)ccc(C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)c1F ZINC000279356758 563293902 /nfs/dbraw/zinc/29/39/02/563293902.db2.gz DIAZMBLNBSIYGF-ZDUSSCGKSA-N 1 0 385.277 2.691 20 0 GFADRO COC1([C@H](C)[NH2+]CCC(=O)Nc2ccccc2Br)CCOCC1 ZINC000421030925 563293990 /nfs/dbraw/zinc/29/39/90/563293990.db2.gz JYVMPMPNKOVNPJ-ZDUSSCGKSA-N 1 0 385.302 2.951 20 0 GFADRO CC[C@H](C)[NH+]1CCN(C(=O)c2ccc(Br)cc2-n2cncn2)CC1 ZINC000296894710 563306941 /nfs/dbraw/zinc/30/69/41/563306941.db2.gz JXDXKFQEVVRJIB-ZDUSSCGKSA-N 1 0 392.301 2.586 20 0 GFADRO O=C(Nc1ccnn1-c1ccc(Br)cn1)C1CC[NH+](C2CC2)CC1 ZINC000279715783 563307477 /nfs/dbraw/zinc/30/74/77/563307477.db2.gz YQDOYFXWYSUMLN-UHFFFAOYSA-N 1 0 390.285 2.843 20 0 GFADRO C[C@H]1C[C@H](CO)C[N@H+](Cc2ccc(Br)cc2N2CCOCC2)C1 ZINC000421362954 563308493 /nfs/dbraw/zinc/30/84/93/563308493.db2.gz OMAWCTGCHVRFSM-GJZGRUSLSA-N 1 0 383.330 2.736 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]CCCC1(O)CCC1 ZINC000421375133 563308698 /nfs/dbraw/zinc/30/86/98/563308698.db2.gz GCHFFDPLSWHDRV-ZDUSSCGKSA-N 1 0 399.329 2.747 20 0 GFADRO CCCN1C[C@H](C[NH2+]Cc2ccc(F)cc2I)CC1=O ZINC000421356642 563308974 /nfs/dbraw/zinc/30/89/74/563308974.db2.gz XUJVADNDEHAFPG-NSHDSACASA-N 1 0 390.240 2.778 20 0 GFADRO CC[NH+](CC)[C@H](CNC(=O)C(=O)N[C@@H](C)c1nccs1)c1ccsc1 ZINC000421509106 563313030 /nfs/dbraw/zinc/31/30/30/563313030.db2.gz BDKYRGKUWCATJD-GXTWGEPZSA-N 1 0 380.539 2.581 20 0 GFADRO CC[C@H](C)[NH+]1CCN(C(=O)C[C@](O)(c2nc(C)cs2)C(F)(F)F)CC1 ZINC000297053063 563314341 /nfs/dbraw/zinc/31/43/41/563314341.db2.gz UGODDTXUMDMPNJ-WFASDCNBSA-N 1 0 379.448 2.534 20 0 GFADRO COc1cc(Cl)c(S(=O)(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)cc1OC ZINC000279914404 563314529 /nfs/dbraw/zinc/31/45/29/563314529.db2.gz VWZODPCUKWKGAT-CYBMUJFWSA-N 1 0 388.917 2.606 20 0 GFADRO COc1ccc(CNC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1Br ZINC000297109053 563316066 /nfs/dbraw/zinc/31/60/66/563316066.db2.gz QTLVOBWNGZZFBI-AGUYFDCRSA-N 1 0 382.302 2.882 20 0 GFADRO O=C(CCSc1nc2ccccc2s1)N1CCN([C@H]2CCOC2)CC1 ZINC000372783594 563317455 /nfs/dbraw/zinc/31/74/55/563317455.db2.gz RGIGURNVLLZANV-AWEZNQCLSA-N 1 0 377.535 2.712 20 0 GFADRO CC(C)n1ncc2c1C[C@H]([NH2+][C@@H](C(N)=O)c1ccc(Br)cc1)CC2 ZINC000372790793 563318298 /nfs/dbraw/zinc/31/82/98/563318298.db2.gz PHUVFRAKKXFKHL-NVXWUHKLSA-N 1 0 391.313 2.900 20 0 GFADRO COC(=O)[C@H]1CC[C@@H]([NH2+][C@@H](C)c2cc(S(N)(=O)=O)c(Cl)cc2Cl)C1 ZINC000280009232 563318516 /nfs/dbraw/zinc/31/85/16/563318516.db2.gz GONWJSWLEUIXSN-LPEHRKFASA-N 1 0 395.308 2.633 20 0 GFADRO C[NH+]1CCC2(CCCN2C(=O)Cc2ccc(I)cc2)CC1 ZINC000372835174 563318852 /nfs/dbraw/zinc/31/88/52/563318852.db2.gz HNPUQKHIYWSANL-UHFFFAOYSA-N 1 0 398.288 2.921 20 0 GFADRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)c1cn(-c2ccc(Br)cc2)cn1 ZINC000421708792 563319340 /nfs/dbraw/zinc/31/93/40/563319340.db2.gz AWFHFUOKULWFEW-HNNXBMFYSA-N 1 0 377.286 2.801 20 0 GFADRO CN(C[C@@H](O)c1ccccc1Br)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000297224309 563320164 /nfs/dbraw/zinc/32/01/64/563320164.db2.gz XWAMVSUMUBWROV-SUMWQHHRSA-N 1 0 396.329 2.608 20 0 GFADRO CSc1ccc([C@@H](CNC(=O)NCC[S@@](=O)C(C)(C)C)N(C)C)cc1 ZINC000297284676 563322139 /nfs/dbraw/zinc/32/21/39/563322139.db2.gz PPNDZCCONLYTRE-PUAOIOHZSA-N 1 0 385.599 2.858 20 0 GFADRO CC[C@@H](NC(=O)NC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1)C(N)=O ZINC000297280825 563322505 /nfs/dbraw/zinc/32/25/05/563322505.db2.gz PKJUKOHHPGNQCK-OAHLLOKOSA-N 1 0 387.311 2.521 20 0 GFADRO CC[NH+]1CCN(CC(=O)N2CCC[C@@H]2Cc2ccccc2Br)CC1 ZINC000421920519 563324536 /nfs/dbraw/zinc/32/45/36/563324536.db2.gz NDCVORZDYYMHCD-QGZVFWFLSA-N 1 0 394.357 2.620 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)Nc1nnc(C2CCOCC2)s1)c1cccs1 ZINC000297423467 563326369 /nfs/dbraw/zinc/32/63/69/563326369.db2.gz OORLRNNHQLRBDP-LBPRGKRZSA-N 1 0 381.527 2.918 20 0 GFADRO C[C@@H](NC(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccc(Br)cc1 ZINC000373048468 563326798 /nfs/dbraw/zinc/32/67/98/563326798.db2.gz VXDFGAMXRXXDSO-KCXAZCMYSA-N 1 0 382.302 2.673 20 0 GFADRO O=C(c1cc(Cl)ccc1I)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000373052779 563327199 /nfs/dbraw/zinc/32/71/99/563327199.db2.gz CVNUQNKDSIMLSS-ZANVPECISA-N 1 0 390.652 2.769 20 0 GFADRO C[C@H]1C[C@@H](N(C)C(=O)NCCCCn2cc(Br)cn2)CC[N@@H+]1C ZINC000280206426 563327247 /nfs/dbraw/zinc/32/72/47/563327247.db2.gz FJAVXIBKLQLETR-ZFWWWQNUSA-N 1 0 386.338 2.550 20 0 GFADRO C[N@@H+]1CC[C@@H]2CCN(c3ncc(Cn4cc(Br)cn4)s3)C[C@H]21 ZINC000373061034 563327726 /nfs/dbraw/zinc/32/77/26/563327726.db2.gz YMJWPMSIEIKYBA-BXUZGUMPSA-N 1 0 382.331 2.681 20 0 GFADRO C[C@H](NC(=O)c1ccc(Br)cc1)C(=O)NC1CCC([NH+](C)C)CC1 ZINC000422011432 563327877 /nfs/dbraw/zinc/32/78/77/563327877.db2.gz ULIUTZCFQZAGQH-JQRITLKVSA-N 1 0 396.329 2.556 20 0 GFADRO CN1CCC2(CC[NH+](Cc3ccc(I)cc3)CC2)C1=O ZINC000373174514 563331194 /nfs/dbraw/zinc/33/11/94/563331194.db2.gz WTFPWZJGPGKNQT-UHFFFAOYSA-N 1 0 384.261 2.736 20 0 GFADRO C[C@H]1OCC[C@]12C[N@H+](CCC(=O)Nc1cccc(Br)c1)CCO2 ZINC000280375601 563334316 /nfs/dbraw/zinc/33/43/16/563334316.db2.gz JPPWITAUENFNHS-DYVFJYSZSA-N 1 0 383.286 2.658 20 0 GFADRO CCOc1cc(C[NH2+]C[C@@H](CO)[C@@H]2CCOC2)cc(Br)c1OC ZINC000280399194 563335642 /nfs/dbraw/zinc/33/56/42/563335642.db2.gz XPMLYAXXGANUOG-KGLIPLIRSA-N 1 0 388.302 2.591 20 0 GFADRO C[N@@H+]1CCC[C@H](CCNC(=O)C(=O)NCCc2c(Cl)cccc2Cl)C1 ZINC000422273230 563335803 /nfs/dbraw/zinc/33/58/03/563335803.db2.gz SJHLHGUULFVHTJ-CYBMUJFWSA-N 1 0 386.323 2.500 20 0 GFADRO CC[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)N[C@H]1CC[N@H+](CC)C1 ZINC000422302984 563337175 /nfs/dbraw/zinc/33/71/75/563337175.db2.gz SHBTYILWNVCUEG-CABCVRRESA-N 1 0 386.323 2.641 20 0 GFADRO C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1 ZINC000280478141 563339217 /nfs/dbraw/zinc/33/92/17/563339217.db2.gz GBZGDRJZSSIFFV-PVXIVEMSSA-N 1 0 385.277 2.529 20 0 GFADRO CS(=O)(=O)[C@@H]1CCC[C@@H]([NH2+][C@H](CO)c2ccccc2OC(F)(F)F)C1 ZINC000280514829 563341377 /nfs/dbraw/zinc/34/13/77/563341377.db2.gz NUIZTNBKVAQYIX-YRGRVCCFSA-N 1 0 381.416 2.564 20 0 GFADRO CC(C)(CC[NH3+])NS(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCCCO1 ZINC000422554123 563342893 /nfs/dbraw/zinc/34/28/93/563342893.db2.gz VZXIBRSXFKYOHZ-AWEZNQCLSA-N 1 0 390.933 2.694 20 0 GFADRO C[C@@H]1C[C@H](C)N(S(=O)(=O)c2cc(Br)ccc2F)C[C@H]1C[NH3+] ZINC000422558666 563343227 /nfs/dbraw/zinc/34/32/27/563343227.db2.gz ZGVHLWTXSGFRLY-OUAUKWLOSA-N 1 0 379.295 2.582 20 0 GFADRO COC(=O)c1cc(F)c(Br)cc1NC(=O)NC(C)(C)CC[NH3+] ZINC000422567453 563343276 /nfs/dbraw/zinc/34/32/76/563343276.db2.gz YAXDANUIZCXGJQ-UHFFFAOYSA-N 1 0 376.226 2.624 20 0 GFADRO COc1ccc(NC(=O)NC(C)(C)CC[NH3+])c(I)c1 ZINC000422566739 563343489 /nfs/dbraw/zinc/34/34/89/563343489.db2.gz TVQDLYQVWPHMII-UHFFFAOYSA-N 1 0 377.226 2.549 20 0 GFADRO CC(C)(CC[NH3+])NC(=O)Nc1cc(F)c(F)cc1I ZINC000422557318 563343496 /nfs/dbraw/zinc/34/34/96/563343496.db2.gz JRBMDPKQNSYYNV-UHFFFAOYSA-N 1 0 383.180 2.818 20 0 GFADRO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@H]1N2C(=O)c1c(Br)cnn1C ZINC000298098653 563344764 /nfs/dbraw/zinc/34/47/64/563344764.db2.gz NRZSTLVPQUSHDY-XJKSGUPXSA-N 1 0 389.297 2.939 20 0 GFADRO CCCN(C(=O)[C@H](C)[NH2+][C@H](C)c1cccc(Cl)c1)[C@H]1CCS(=O)(=O)C1 ZINC000298088053 563344917 /nfs/dbraw/zinc/34/49/17/563344917.db2.gz QLRLUBKQRMWQLM-KEYYUXOJSA-N 1 0 386.945 2.805 20 0 GFADRO CC[C@@H]([NH2+][C@@H]1CCc2c[nH]nc2C1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000373643616 563345341 /nfs/dbraw/zinc/34/53/41/563345341.db2.gz XOWWEEOZRJAFHW-UKRRQHHQSA-N 1 0 382.917 2.569 20 0 GFADRO COc1cc(Br)c(NC(=O)NCC[N@H+]2CC=CCC2)cc1OC ZINC000280605525 563345840 /nfs/dbraw/zinc/34/58/40/563345840.db2.gz RKQBAKJNOQHHIO-UHFFFAOYSA-N 1 0 384.274 2.850 20 0 GFADRO CCOc1cc(C[NH2+][C@H](CO)C[C@H](O)C(C)(C)C)cc(Br)c1O ZINC000298169336 563346873 /nfs/dbraw/zinc/34/68/73/563346873.db2.gz UCCPSFIUTCKAFD-WFASDCNBSA-N 1 0 390.318 2.801 20 0 GFADRO C[C@@H]([NH3+])[C@@H](Cc1ccccc1)NCCNC(=O)c1ccc(Br)cc1 ZINC000422731790 563348431 /nfs/dbraw/zinc/34/84/31/563348431.db2.gz MHLITCMFUORHAY-RDTXWAMCSA-N 1 0 390.325 2.727 20 0 GFADRO CC[C@H](NCc1ccc(Br)cc1N1CCOCC1)[C@@H]1CCC[NH2+]1 ZINC000422987036 563352409 /nfs/dbraw/zinc/35/24/09/563352409.db2.gz DYALVJVUGUWWHQ-IRXDYDNUSA-N 1 0 382.346 2.906 20 0 GFADRO O=S(=O)(c1cc(Cl)ccc1Br)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000373837953 563353148 /nfs/dbraw/zinc/35/31/48/563353148.db2.gz VKSPGHFWGQRFER-MNOVXSKESA-N 1 0 379.707 2.618 20 0 GFADRO C[C@]1(C[NH3+])CCN(C(=O)C(=O)N(Cc2cccs2)Cc2cccs2)C1 ZINC000423013415 563353238 /nfs/dbraw/zinc/35/32/38/563353238.db2.gz FYLHCYPBPVUDST-GOSISDBHSA-N 1 0 377.535 2.536 20 0 GFADRO CO[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000280773892 563353259 /nfs/dbraw/zinc/35/32/59/563353259.db2.gz RQXMMWXHXWOGFX-ZLKJLUDKSA-N 1 0 391.331 2.705 20 0 GFADRO CC[N@H+](C)C[C@H]1CCN(C(=O)C2(c3cccc(Br)c3)CC(=O)C2)C1 ZINC000280829438 563355788 /nfs/dbraw/zinc/35/57/88/563355788.db2.gz SSJVIKSMROCPMN-CQSZACIVSA-N 1 0 393.325 2.850 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)[C@@H]1C[C@H](C)CC[NH2+]1 ZINC000423114316 563356068 /nfs/dbraw/zinc/35/60/68/563356068.db2.gz VENSYUAIETUFAV-ABAIWWIYSA-N 1 0 382.302 2.590 20 0 GFADRO CCOC(=O)[C@H]1NCC[C@H]1[NH2+]CCc1ccc(Br)cc1Cl ZINC000423145595 563357036 /nfs/dbraw/zinc/35/70/36/563357036.db2.gz LNYLJJHSUDOVJB-KGLIPLIRSA-N 1 0 375.694 2.528 20 0 GFADRO Cc1cn2c(n1)CC[C@@H](NC(=O)[C@H](C)Oc1ccc(F)cc1Br)C2 ZINC000373992721 563357795 /nfs/dbraw/zinc/35/77/95/563357795.db2.gz OGGDSKDCPNSSHJ-WCQYABFASA-N 1 0 396.260 2.992 20 0 GFADRO Cc1c([C@H](C)NCC2(S(C)(=O)=O)CCC2)nnn1-c1ccc(Cl)cc1 ZINC000280865578 563358127 /nfs/dbraw/zinc/35/81/27/563358127.db2.gz CNAFXSIKIJWVQU-LBPRGKRZSA-N 1 0 382.917 2.847 20 0 GFADRO C[C@@H](NC(=O)N(C)C[C@@H](O)c1cccc(Br)c1)C1=CC[N@H+](C)CC1 ZINC000298531251 563358644 /nfs/dbraw/zinc/35/86/44/563358644.db2.gz CKQHAXBBGLSNAQ-CXAGYDPISA-N 1 0 396.329 2.774 20 0 GFADRO CC[C@@H]([NH2+][C@@H](C)Cc1cc(C)n[nH]1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000280930154 563360811 /nfs/dbraw/zinc/36/08/11/563360811.db2.gz RPPYZWLOCIYYFC-MEDUHNTESA-N 1 0 384.933 2.952 20 0 GFADRO COc1ccc2c(c1)[C@@H]([NH3+])CCN2S(=O)(=O)c1cc(Cl)ccc1OC ZINC000374087709 563361360 /nfs/dbraw/zinc/36/13/60/563361360.db2.gz FEFXURKPHWBDRB-AWEZNQCLSA-N 1 0 382.869 2.956 20 0 GFADRO [NH3+][C@@H]1C[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1cc(Cl)ccc1Br ZINC000374089226 563361459 /nfs/dbraw/zinc/36/14/59/563361459.db2.gz PPJKERFPZAFBDQ-RTCCRHLQSA-N 1 0 379.707 2.745 20 0 GFADRO C[C@@]1(C2CC[NH+](CCOc3cc(Cl)cc(Cl)c3)CC2)NC(=O)NC1=O ZINC000374104102 563361887 /nfs/dbraw/zinc/36/18/87/563361887.db2.gz CMLSLSFZSGDRPJ-KRWDZBQOSA-N 1 0 386.279 2.682 20 0 GFADRO C[C@H](c1ccccc1Br)N(C)C(=O)C(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000423564526 563362067 /nfs/dbraw/zinc/36/20/67/563362067.db2.gz OXNWLWGSHDFQFB-MJBXVCDLSA-N 1 0 396.329 2.554 20 0 GFADRO C[NH2+][C@H]1CCN(C(=O)C(=O)N2CCC(c3ccc(Cl)cc3Cl)CC2)C1 ZINC000423619001 563362885 /nfs/dbraw/zinc/36/28/85/563362885.db2.gz ZRGMFQXPSDVDQU-AWEZNQCLSA-N 1 0 384.307 2.520 20 0 GFADRO [NH3+][C@@H](C(=O)NCc1ccc(I)c(Cl)c1)C1CCC1 ZINC000423824658 563363293 /nfs/dbraw/zinc/36/32/93/563363293.db2.gz WBNYEKZMHKJPIY-GFCCVEGCSA-N 1 0 378.641 2.688 20 0 GFADRO Cc1csc(C(=O)N[C@H](CC[NH3+])C(F)(F)F)c1I ZINC000423748789 563363344 /nfs/dbraw/zinc/36/33/44/563363344.db2.gz RXQHAGUQHYYWNO-ZCFIWIBFSA-N 1 0 392.184 2.671 20 0 GFADRO Cc1csc(C(=O)N[C@@H](CC[NH3+])C(F)(F)F)c1I ZINC000423748743 563363440 /nfs/dbraw/zinc/36/34/40/563363440.db2.gz RXQHAGUQHYYWNO-LURJTMIESA-N 1 0 392.184 2.671 20 0 GFADRO COC[C@@]1(C(=O)N2CCC(c3cccc(Br)c3)CC2)CC[NH2+]C1 ZINC000423836100 563363617 /nfs/dbraw/zinc/36/36/17/563363617.db2.gz GIACJSZJQJQANM-GOSISDBHSA-N 1 0 381.314 2.781 20 0 GFADRO CCCN(C(=O)C(=O)N(C)Cc1cc(Cl)cc(Cl)c1)C1CC[NH2+]CC1 ZINC000423700461 563363649 /nfs/dbraw/zinc/36/36/49/563363649.db2.gz SQMTVORPFUTSDD-UHFFFAOYSA-N 1 0 386.323 2.942 20 0 GFADRO CCc1ccccc1[C@H]([NH3+])CNC(=O)c1cc(CS(C)(=O)=O)c(C)s1 ZINC000423939734 563364115 /nfs/dbraw/zinc/36/41/15/563364115.db2.gz MKHGMKDOZNPORV-MRXNPFEDSA-N 1 0 380.535 2.593 20 0 GFADRO [NH3+]C[C@H](NC(=O)c1cc(F)ccc1I)C1CCCC1 ZINC000423937920 563364255 /nfs/dbraw/zinc/36/42/55/563364255.db2.gz HDPMOKOUVJDDFX-ZDUSSCGKSA-N 1 0 376.213 2.678 20 0 GFADRO CN(Cc1ccc(F)cc1Br)C(=O)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000423918105 563364297 /nfs/dbraw/zinc/36/42/97/563364297.db2.gz QXSNZRHWDFFTOS-HNNXBMFYSA-N 1 0 395.276 2.981 20 0 GFADRO Cc1ccc(F)c(C(=O)NC2CCC(N3CC[NH2+]CC3)CC2)c1Br ZINC000423945982 563364826 /nfs/dbraw/zinc/36/48/26/563364826.db2.gz IBBUCKJVUBTOOY-UHFFFAOYSA-N 1 0 398.320 2.843 20 0 GFADRO CC(=O)N[C@@H](CC(=O)N[C@@H](C[NH3+])C(C)(C)C)c1ccc(Br)cc1 ZINC000423952920 563365837 /nfs/dbraw/zinc/36/58/37/563365837.db2.gz LNABNJINZHGXQG-GJZGRUSLSA-N 1 0 384.318 2.506 20 0 GFADRO C[C@H]1CN(C(=O)c2ccc(F)cc2Br)CCN1C1CC[NH+](C)CC1 ZINC000374256359 563366015 /nfs/dbraw/zinc/36/60/15/563366015.db2.gz VRNDVXRRMRGZAC-ZDUSSCGKSA-N 1 0 398.320 2.829 20 0 GFADRO CN(CC[NH3+])C(=O)c1nn(-c2ccc(Br)cc2)c2c1CCCC2 ZINC000424002267 563367325 /nfs/dbraw/zinc/36/73/25/563367325.db2.gz IWRIBHSQWNOFQP-UHFFFAOYSA-N 1 0 377.286 2.544 20 0 GFADRO C[S@](=O)C[C@H]([NH2+]CCC(=O)N1CCc2sccc2C1)c1ccccc1 ZINC000298831360 563368082 /nfs/dbraw/zinc/36/80/82/563368082.db2.gz HDTNCDGBLDEHCU-GKVSMKOHSA-N 1 0 376.547 2.732 20 0 GFADRO O=C(c1cc(F)c(F)cc1I)N1CCC2(CC[NH2+]2)CC1 ZINC000424058698 563368657 /nfs/dbraw/zinc/36/86/57/563368657.db2.gz VHTJJUULXIIHQE-UHFFFAOYSA-N 1 0 392.187 2.538 20 0 GFADRO C[C@@H]([NH2+][C@@H](C)c1ccc(S(N)(=O)=O)cc1)c1ccc(Br)cn1 ZINC000281232140 563370538 /nfs/dbraw/zinc/37/05/38/563370538.db2.gz UTVYJTSJIGRYHS-WDEREUQCSA-N 1 0 384.299 2.903 20 0 GFADRO CN(C)c1ncc(Br)cc1C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000374426795 563372010 /nfs/dbraw/zinc/37/20/10/563372010.db2.gz GBMKFEDBHXVLOJ-OAHLLOKOSA-N 1 0 381.318 2.514 20 0 GFADRO CC[NH+]1CCN(CCCNC(=O)CSc2nc3ccccc3s2)CC1 ZINC000298994116 563372252 /nfs/dbraw/zinc/37/22/52/563372252.db2.gz LLBQLJCENQUNPS-UHFFFAOYSA-N 1 0 378.567 2.532 20 0 GFADRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N(C)C[C@@H](O)c1cccc(Br)c1 ZINC000299067847 563374703 /nfs/dbraw/zinc/37/47/03/563374703.db2.gz VGWMPTBYTQVRBR-CSMYWGQOSA-N 1 0 396.329 2.607 20 0 GFADRO C[C@H]1CC2(CN1C(=O)COc1ccc(Br)cc1F)CC[NH2+]CC2 ZINC000424226615 563374858 /nfs/dbraw/zinc/37/48/58/563374858.db2.gz RXPBMFUPQJEDFQ-LBPRGKRZSA-N 1 0 385.277 2.958 20 0 GFADRO CC(=O)c1ccc(Cl)c(S(=O)(=O)N2C[C@H]3[C@H](C2)C[N@@H+]2CCCC[C@@H]32)c1 ZINC000374553864 563376208 /nfs/dbraw/zinc/37/62/08/563376208.db2.gz HGLHKQDELJXFLA-ZOBUZTSGSA-N 1 0 382.913 2.647 20 0 GFADRO Cc1sc2ncnc(SCC(=O)N3C[C@@H]4CCC[C@H]([NH3+])[C@H]4C3)c2c1C ZINC000374606155 563377051 /nfs/dbraw/zinc/37/70/51/563377051.db2.gz RKTJBSIPPZBLBG-IHRRRGAJSA-N 1 0 376.551 2.986 20 0 GFADRO C[C@@H](C[C@H]1COCCN1)[NH2+]Cc1cc(Cl)cc(I)c1 ZINC000424375547 563377224 /nfs/dbraw/zinc/37/72/24/563377224.db2.gz KJFPFWNHOPFMSC-HZMBPMFUSA-N 1 0 394.684 2.801 20 0 GFADRO C[C@H](C[C@H]1COCCN1)[NH2+]Cc1cc(Cl)cc(I)c1 ZINC000424375552 563377543 /nfs/dbraw/zinc/37/75/43/563377543.db2.gz KJFPFWNHOPFMSC-YGRLFVJLSA-N 1 0 394.684 2.801 20 0 GFADRO CN(C)c1noc([C@@H]2CCC[N@H+](C[C@H](O)c3cccc(Br)c3)C2)n1 ZINC000374621250 563378190 /nfs/dbraw/zinc/37/81/90/563378190.db2.gz VGQBWYPQMALBDP-HIFRSBDPSA-N 1 0 395.301 2.811 20 0 GFADRO Fc1ccc(Br)cc1CN1CC[NH+](CCC2OCCCO2)CC1 ZINC000281481915 563378624 /nfs/dbraw/zinc/37/86/24/563378624.db2.gz SMMFMDHCHPRMPC-UHFFFAOYSA-N 1 0 387.293 2.859 20 0 GFADRO Cc1cc(NC(=O)C(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cc(F)c1Br ZINC000299278920 563379757 /nfs/dbraw/zinc/37/97/57/563379757.db2.gz MXJLMSZCHSRJQE-ZYHUDNBSSA-N 1 0 398.276 2.577 20 0 GFADRO O=C(NC[C@H]1CCC[C@H]1[NH+]1CCOCC1)Nc1ncc(C(F)(F)F)s1 ZINC000374687761 563380301 /nfs/dbraw/zinc/38/03/01/563380301.db2.gz PNCZUQZDWJIWCM-GHMZBOCLSA-N 1 0 378.420 2.784 20 0 GFADRO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@@H](C)C(=O)N1CCCC1 ZINC000281603087 563380560 /nfs/dbraw/zinc/38/05/60/563380560.db2.gz MGAZBZYSQRXUSA-OLZOCXBDSA-N 1 0 382.302 2.767 20 0 GFADRO COc1c(Br)ccc(C)c1C(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000424569376 563382312 /nfs/dbraw/zinc/38/23/12/563382312.db2.gz UWMNUTGCZOOIEK-AWEZNQCLSA-N 1 0 399.329 2.853 20 0 GFADRO COc1ncc(C(=O)NCC[N@H+](C)Cc2ccccc2)cc1Br ZINC000424607638 563383794 /nfs/dbraw/zinc/38/37/94/563383794.db2.gz LKXWOIBWINJNRB-UHFFFAOYSA-N 1 0 378.270 2.715 20 0 GFADRO C[N@@H+]1CCCC12CCN(C(=O)Cc1cccc(I)c1)CC2 ZINC000374871202 563384727 /nfs/dbraw/zinc/38/47/27/563384727.db2.gz CIWSULDGANYZRQ-UHFFFAOYSA-N 1 0 398.288 2.921 20 0 GFADRO Cc1oc(Br)cc1C(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000424633195 563384828 /nfs/dbraw/zinc/38/48/28/563384828.db2.gz VYPWFZWMBDTSGG-OKILXGFUSA-N 1 0 398.345 2.981 20 0 GFADRO CC[NH+]1CCN([C@@H](C)CNC(=O)c2c(C)ccc(Br)c2OC)CC1 ZINC000424651108 563385607 /nfs/dbraw/zinc/38/56/07/563385607.db2.gz CPPFRRGSYRSSSF-AWEZNQCLSA-N 1 0 398.345 2.522 20 0 GFADRO CS(=O)(=O)N1CC[C@@H](C[N@@H+]2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)C1 ZINC000374913762 563385708 /nfs/dbraw/zinc/38/57/08/563385708.db2.gz OMEMZAAFUCUAPE-RYUDHWBXSA-N 1 0 397.488 2.623 20 0 GFADRO C[C@H](CC[NH+](C)C)NC(=O)[C@H]1CCCN1C(=O)c1ccc(Br)cc1 ZINC000299573279 563386622 /nfs/dbraw/zinc/38/66/22/563386622.db2.gz BAWATXFYZMZPFX-CZUORRHYSA-N 1 0 396.329 2.510 20 0 GFADRO C[C@@H](NC(=O)[C@@]1([NH+](C)C)CCCSC1)C1CCN(CC(F)(F)F)CC1 ZINC000374999457 563387372 /nfs/dbraw/zinc/38/73/72/563387372.db2.gz DBDTYQPOFSNSFE-CZUORRHYSA-N 1 0 381.508 2.593 20 0 GFADRO Cc1oc(Br)cc1C(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000424745940 563389992 /nfs/dbraw/zinc/38/99/92/563389992.db2.gz KODWZLUMHVHKGT-UHFFFAOYSA-N 1 0 382.258 2.616 20 0 GFADRO COc1c(Br)ccc(C)c1C(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000424756936 563390577 /nfs/dbraw/zinc/39/05/77/563390577.db2.gz SRNQBRPVLTWQNH-UHFFFAOYSA-N 1 0 399.329 2.685 20 0 GFADRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)c3c(C)ccc(Br)c3OC)[C@H]2C1 ZINC000424841456 563394160 /nfs/dbraw/zinc/39/41/60/563394160.db2.gz IATKGMOCJJYIEI-LSDHHAIUSA-N 1 0 397.313 2.701 20 0 GFADRO COc1ncc(C(=O)N2CC[N@@H+]([C@@H]3C[C@@H]3C)C[C@@H](C)C2)cc1Br ZINC000424849323 563394628 /nfs/dbraw/zinc/39/46/28/563394628.db2.gz OXBVFTSVFBIZLZ-TYNCELHUSA-N 1 0 382.302 2.655 20 0 GFADRO NS(=O)(=O)c1cnc(NCc2ccc(C[NH+]3CCCCCC3)cc2)s1 ZINC000301171360 563395115 /nfs/dbraw/zinc/39/51/15/563395115.db2.gz XIWKVWMWWBXJIS-UHFFFAOYSA-N 1 0 380.539 2.779 20 0 GFADRO Cn1nc(Br)c2c1ncnc2N1CC[NH+](CC2CCCCC2)CC1 ZINC000301171852 563395199 /nfs/dbraw/zinc/39/51/99/563395199.db2.gz UVBLJUFFFFAKTA-UHFFFAOYSA-N 1 0 393.333 2.828 20 0 GFADRO Cn1nc(Br)c2c1ncnc2NC[C@H](c1ccccc1)[NH+](C)C ZINC000301171855 563395202 /nfs/dbraw/zinc/39/52/02/563395202.db2.gz UVHUBOIYOVVUNB-GFCCVEGCSA-N 1 0 375.274 2.841 20 0 GFADRO C[C@@H]1CCC[N@H+](Cc2ccc(CNc3ncc(S(N)(=O)=O)s3)cc2)C1 ZINC000301173776 563395290 /nfs/dbraw/zinc/39/52/90/563395290.db2.gz XZCDOTSUGJPNCV-CYBMUJFWSA-N 1 0 380.539 2.635 20 0 GFADRO COC(=O)c1ccc(C[N@@H+]2CCC[C@@H](c3nnc[nH]3)C2)c(Br)c1 ZINC000375312539 563398988 /nfs/dbraw/zinc/39/89/88/563398988.db2.gz DVWXSSMMAYTOJQ-CYBMUJFWSA-N 1 0 379.258 2.733 20 0 GFADRO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[NH2+][C@H]1CCC(=O)N[C@@H]1C1CC1 ZINC000375332794 563399597 /nfs/dbraw/zinc/39/95/97/563399597.db2.gz DFNNGGYOEMBCOG-MAUKXSAKSA-N 1 0 384.307 2.599 20 0 GFADRO COCC(C)(C)[NH+]1CCN(C(=O)Cc2cc(Br)ccc2OC)CC1 ZINC000424999314 563400625 /nfs/dbraw/zinc/40/06/25/563400625.db2.gz LAUHZONEMJMBDQ-UHFFFAOYSA-N 1 0 399.329 2.569 20 0 GFADRO Cn1nnnc1N1CCC([NH2+][C@@H](c2ccc(Br)s2)C2CC2)CC1 ZINC000375353423 563401031 /nfs/dbraw/zinc/40/10/31/563401031.db2.gz PXDAQKCQYWZKMP-CQSZACIVSA-N 1 0 397.346 2.744 20 0 GFADRO Cc1nn(C)cc1C(=O)Nc1cc(Br)ccc1N(C)CC[NH+](C)C ZINC000425099267 563404720 /nfs/dbraw/zinc/40/47/20/563404720.db2.gz OPSWBKWCMZBLMB-UHFFFAOYSA-N 1 0 394.317 2.741 20 0 GFADRO C[NH+](C)C1CCN(CCNc2ncnc3ccc(Br)cc32)CC1 ZINC000301529272 563405695 /nfs/dbraw/zinc/40/56/95/563405695.db2.gz KKMSZZIDKKSGNE-UHFFFAOYSA-N 1 0 378.318 2.830 20 0 GFADRO NC(=O)[C@H](c1cccc(Br)c1)N1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000375465275 563405927 /nfs/dbraw/zinc/40/59/27/563405927.db2.gz MZJWOMVXRLKWOL-OCCSQVGLSA-N 1 0 391.269 2.725 20 0 GFADRO CC[NH+](CC)CCO[C@H]1CCN(S(=O)(=O)CCc2ccc(Cl)cc2)C1 ZINC000425173164 563407656 /nfs/dbraw/zinc/40/76/56/563407656.db2.gz APPJUHVUHUJWQM-SFHVURJKSA-N 1 0 388.961 2.645 20 0 GFADRO Ic1cnc(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)s1 ZINC000375759037 563417109 /nfs/dbraw/zinc/41/71/09/563417109.db2.gz PVCQTNIZAOTWFE-AXTRIDKLSA-N 1 0 376.263 2.795 20 0 GFADRO C[C@H](CNc1ccc(S(N)(=O)=O)cc1C(F)(F)F)C[NH+]1CCCCC1 ZINC000301996557 563418228 /nfs/dbraw/zinc/41/82/28/563418228.db2.gz TXFINBPEYPJTDU-GFCCVEGCSA-N 1 0 379.448 2.887 20 0 GFADRO NC(=O)[C@@H]1CCC[N@H+](CCCNc2cnc3cc(Cl)c(Cl)cc3n2)C1 ZINC000302091627 563420408 /nfs/dbraw/zinc/42/04/08/563420408.db2.gz MLNDYVDJPDIFTA-LLVKDONJSA-N 1 0 382.295 2.936 20 0 GFADRO C[C@@H](O)C[NH+]1CCC(CN(C)c2ccnc3cc(Br)cnc32)CC1 ZINC000302104170 563420592 /nfs/dbraw/zinc/42/05/92/563420592.db2.gz MRUGENFPTRSLAT-CYBMUJFWSA-N 1 0 393.329 2.921 20 0 GFADRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C2(c3cncc(Br)c3)CC2)C1 ZINC000282684085 563421047 /nfs/dbraw/zinc/42/10/47/563421047.db2.gz JLKYDHQRUISKER-AWEZNQCLSA-N 1 0 380.330 2.970 20 0 GFADRO COCC(C)(C)[NH+]1CCN(C[C@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000425500555 563425369 /nfs/dbraw/zinc/42/53/69/563425369.db2.gz CYUICPPPPUYKPC-HNNXBMFYSA-N 1 0 391.339 2.776 20 0 GFADRO COCC(C)(C)[NH+]1CCN(CCC(=O)Nc2ccccc2Br)CC1 ZINC000425500737 563425611 /nfs/dbraw/zinc/42/56/11/563425611.db2.gz CLFPCSBUZIKRDC-UHFFFAOYSA-N 1 0 398.345 2.820 20 0 GFADRO COCC(C)(C)[NH+]1CCN(CC(=O)Nc2ccc(Br)c(C)c2)CC1 ZINC000425503390 563425941 /nfs/dbraw/zinc/42/59/41/563425941.db2.gz IYVUJIAWVNCZHC-UHFFFAOYSA-N 1 0 398.345 2.739 20 0 GFADRO O=C(c1n[nH]c2ccc(Br)cc21)N1CCC[C@H]2C[NH2+]CCC[C@H]21 ZINC000376023388 563427138 /nfs/dbraw/zinc/42/71/38/563427138.db2.gz XRTPPTBQNTVSAC-XHDPSFHLSA-N 1 0 377.286 2.930 20 0 GFADRO Cc1cc(NC[C@@H](O)COc2ccc(I)cc2)cc[nH+]1 ZINC000302586972 563427115 /nfs/dbraw/zinc/42/71/15/563427115.db2.gz VAIMOQHUMBDGLT-CQSZACIVSA-N 1 0 384.217 2.846 20 0 GFADRO COc1cc(Br)c(C[NH+]2CCC3(CCN(C)C3=O)CC2)cc1OC ZINC000376033751 563427935 /nfs/dbraw/zinc/42/79/35/563427935.db2.gz GHUJLCKKXDPCSL-UHFFFAOYSA-N 1 0 397.313 2.911 20 0 GFADRO Cn1ncc(Br)c1C(=O)N1c2ccccc2CC[C@@H]1C[NH+](C)C ZINC000425614507 563428684 /nfs/dbraw/zinc/42/86/84/563428684.db2.gz XRBOLPQFZBVPRY-CYBMUJFWSA-N 1 0 377.286 2.706 20 0 GFADRO O=C1CCc2cc(Cl)c(S(=O)(=O)N3CCC([NH2+]CC4CC4)CC3)cc21 ZINC000376061261 563428726 /nfs/dbraw/zinc/42/87/26/563428726.db2.gz GFXGUCMADLPOLA-UHFFFAOYSA-N 1 0 382.913 2.622 20 0 GFADRO C[C@H](Oc1ccc(F)cc1Br)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000303046922 563432233 /nfs/dbraw/zinc/43/22/33/563432233.db2.gz UJVRTZJDYKOTFT-NSHDSACASA-N 1 0 399.264 2.752 20 0 GFADRO CC[NH+](CC)[C@@H](CNC(=O)c1ccc(C(N)=O)c(Cl)n1)c1ccsc1 ZINC000283052979 563433882 /nfs/dbraw/zinc/43/38/82/563433882.db2.gz OGPKIMYPAXNEPY-AWEZNQCLSA-N 1 0 380.901 2.708 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)N[C@H]2CCN(c3cccc(Br)c3)C2)CC[N@@H+]1C ZINC000426065584 563442801 /nfs/dbraw/zinc/44/28/01/563442801.db2.gz BTNCEWWUHLPTCZ-KBMXLJTQSA-N 1 0 395.345 2.810 20 0 GFADRO C[C@H](c1ncc(Br)cn1)N1CC[C@@H]2[C@@H](CCC(=O)N2C2CC2)C1 ZINC000376505349 563443973 /nfs/dbraw/zinc/44/39/73/563443973.db2.gz GLLUIICSVWEYRP-TYNCELHUSA-N 1 0 379.302 2.775 20 0 GFADRO CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)Nc2cc(C)c(Br)c(C)c2)C1 ZINC000426306918 563448795 /nfs/dbraw/zinc/44/87/95/563448795.db2.gz MPJGPTFPVFKULZ-HNNXBMFYSA-N 1 0 396.329 2.947 20 0 GFADRO CCC[C@H]([NH3+])c1cn(CC(=O)N[C@H](C)c2ccc(Br)cc2)nn1 ZINC000323588908 563450426 /nfs/dbraw/zinc/45/04/26/563450426.db2.gz BTXCRTPLXPCQDJ-RISCZKNCSA-N 1 0 380.290 2.718 20 0 GFADRO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)Nc1ncc(C(F)(F)F)s1 ZINC000283659449 563450579 /nfs/dbraw/zinc/45/05/79/563450579.db2.gz REQLRNGIOSCUNO-UHFFFAOYSA-N 1 0 379.452 2.652 20 0 GFADRO Brc1cnn(CCC[NH2+]C2CCN(Cc3cscn3)CC2)c1 ZINC000376731630 563452204 /nfs/dbraw/zinc/45/22/04/563452204.db2.gz BGVWSEKUMMGMLK-UHFFFAOYSA-N 1 0 384.347 2.746 20 0 GFADRO COc1cc(C[NH2+][C@@H]2CCCc3c2cnn3CCO)cc(Br)c1O ZINC000324233515 563452498 /nfs/dbraw/zinc/45/24/98/563452498.db2.gz SMUUFJPXBIWUHW-CQSZACIVSA-N 1 0 396.285 2.519 20 0 GFADRO O=C(c1ccc(C[NH+]2CCCC2)cc1)N1CCn2c(Br)cnc2C1 ZINC000283762273 563453221 /nfs/dbraw/zinc/45/32/21/563453221.db2.gz KHMJNFNFAXYMRA-UHFFFAOYSA-N 1 0 389.297 2.897 20 0 GFADRO CN(CC(C)(C)C[NH3+])C(=O)[C@@H]1CCCN(c2ccc(Br)cn2)C1 ZINC000376789791 563454186 /nfs/dbraw/zinc/45/41/86/563454186.db2.gz MGMBQRZVRDMPOZ-CYBMUJFWSA-N 1 0 383.334 2.504 20 0 GFADRO COc1cc(Br)c(C[NH2+][C@@H]2CCC(=O)N[C@@H]2C2CC2)cc1OC ZINC000376774908 563454308 /nfs/dbraw/zinc/45/43/08/563454308.db2.gz YTBCYDPXOWUWKM-CXAGYDPISA-N 1 0 383.286 2.613 20 0 GFADRO COCc1nc(C(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)cs1 ZINC000376971632 563459846 /nfs/dbraw/zinc/45/98/46/563459846.db2.gz LWWZUMVZFMNSCQ-UHFFFAOYSA-N 1 0 377.432 2.825 20 0 GFADRO O=C1CC[C@@H]([NH2+]Cc2cnn(-c3ccc(Br)cc3)c2)[C@@H](C2CC2)N1 ZINC000377112870 563463272 /nfs/dbraw/zinc/46/32/72/563463272.db2.gz LXVDCIGRNSYMJF-SJLPKXTDSA-N 1 0 389.297 2.782 20 0 GFADRO O=C(C[C@H]1CCC[NH2+]CC1)N[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000427282582 563464623 /nfs/dbraw/zinc/46/46/23/563464623.db2.gz USMVDCOPWNSMHG-HOCLYGCPSA-N 1 0 380.330 2.924 20 0 GFADRO COC(=O)c1ccc(C[NH2+]C2CCC(NC(C)=O)CC2)c(Br)c1 ZINC000284193766 563466932 /nfs/dbraw/zinc/46/69/32/563466932.db2.gz BHNGYCUMWFWKFF-UHFFFAOYSA-N 1 0 383.286 2.773 20 0 GFADRO COCc1nc(C(=O)N[C@@H]2CC[N@H+](Cc3cnc(C)s3)C[C@H]2C)cs1 ZINC000377233485 563467854 /nfs/dbraw/zinc/46/78/54/563467854.db2.gz SZBHNKDIFRGNNE-BXUZGUMPSA-N 1 0 380.539 2.695 20 0 GFADRO [NH3+]Cc1ccc2c(c1)CCCN2C(=O)CS(=O)(=O)c1ccc(Cl)cc1 ZINC000377240388 563467879 /nfs/dbraw/zinc/46/78/79/563467879.db2.gz OTKXENUMGWYAJW-UHFFFAOYSA-N 1 0 378.881 2.552 20 0 GFADRO C[C@@H]([NH2+][C@@H](c1cncc(Br)c1)C1CC1)C(=O)Nc1ncccn1 ZINC000284315150 563469964 /nfs/dbraw/zinc/46/99/64/563469964.db2.gz ASFNXYUJQJZDEN-QMTHXVAHSA-N 1 0 376.258 2.702 20 0 GFADRO Cn1nccc1C(=O)N(Cc1ccccc1Br)C1CC[NH+](C)CC1 ZINC000377308282 563470448 /nfs/dbraw/zinc/47/04/48/563470448.db2.gz XJVXSTHRBOXERX-UHFFFAOYSA-N 1 0 391.313 2.919 20 0 GFADRO C[C@@H]([NH2+]C1CCN(Cc2cccs2)CC1)c1ccc(S(N)(=O)=O)cc1 ZINC000377345845 563471607 /nfs/dbraw/zinc/47/16/07/563471607.db2.gz NEXRGCJKMHTIOE-CQSZACIVSA-N 1 0 379.551 2.711 20 0 GFADRO O=C(N1CCCC1)N1CCC[C@@H]([NH2+]Cc2cc(O)ccc2Br)C1 ZINC000329159754 563474180 /nfs/dbraw/zinc/47/41/80/563474180.db2.gz DXQXDVVTDRCPIJ-CQSZACIVSA-N 1 0 382.302 2.925 20 0 GFADRO CCn1cc(S(=O)(=O)NC[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)nc1C ZINC000329179910 563474722 /nfs/dbraw/zinc/47/47/22/563474722.db2.gz MWSWVRJOOQCGSE-RHSMWYFYSA-N 1 0 382.555 2.634 20 0 GFADRO O[C@@H]1CC[N@H+](Cc2cn(-c3ccccc3Br)nn2)C12CCCC2 ZINC000329191670 563475004 /nfs/dbraw/zinc/47/50/04/563475004.db2.gz RNOHOHMLUULHFG-MRXNPFEDSA-N 1 0 377.286 2.909 20 0 GFADRO CN(C(=O)c1cnc(Sc2nccn2C)c(Cl)c1)C1CC[NH+](C)CC1 ZINC000329192827 563475017 /nfs/dbraw/zinc/47/50/17/563475017.db2.gz RCHPALJPTXIOQM-UHFFFAOYSA-N 1 0 379.917 2.786 20 0 GFADRO C[N@@H+]1CC[C@H]2[C@H](CCCN2S(=O)(=O)c2cc(Br)ccc2F)C1 ZINC000427802665 563476011 /nfs/dbraw/zinc/47/60/11/563476011.db2.gz AFHJPSCOFCSKPR-RISCZKNCSA-N 1 0 391.306 2.693 20 0 GFADRO Cc1ccc(C[C@H](C)NC(=O)C(=O)NC[C@H](c2cccs2)[NH+](C)C)s1 ZINC000284506599 563477624 /nfs/dbraw/zinc/47/76/24/563477624.db2.gz SMFVETQUDNAEQH-SWLSCSKDSA-N 1 0 379.551 2.584 20 0 GFADRO O=S(=O)(c1ccc2cc(Br)ccc2c1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000427931250 563478996 /nfs/dbraw/zinc/47/89/96/563478996.db2.gz LJSLITKIEHPKFM-YOEHRIQHSA-N 1 0 395.322 2.975 20 0 GFADRO CN(C(=O)c1cc2c(cc1Br)NC(=O)CO2)[C@@H]1C[NH+]2CCC1CC2 ZINC000329348290 563479200 /nfs/dbraw/zinc/47/92/00/563479200.db2.gz VXORDKNICDIOCA-CQSZACIVSA-N 1 0 394.269 2.596 20 0 GFADRO CN(C(=O)c1sccc1Br)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000377637256 563481443 /nfs/dbraw/zinc/48/14/43/563481443.db2.gz PQDJWLMPUQVEEQ-ZDUSSCGKSA-N 1 0 386.359 2.751 20 0 GFADRO [NH3+]CC1CCN(C(=O)[C@@H](c2ccc(Cl)cc2Cl)N2CCOCC2)CC1 ZINC000428127202 563483113 /nfs/dbraw/zinc/48/31/13/563483113.db2.gz WENMDGVOZLHQSN-QGZVFWFLSA-N 1 0 386.323 2.564 20 0 GFADRO C[NH+]1CCC(CNC(=O)C2(c3cccc(Br)c3)CC(=O)C2)CC1 ZINC000377803529 563487242 /nfs/dbraw/zinc/48/72/42/563487242.db2.gz XLUVAGSSJMMXLE-UHFFFAOYSA-N 1 0 379.298 2.508 20 0 GFADRO CC(C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)NC1CC[NH+](C)CC1 ZINC000284757653 563489020 /nfs/dbraw/zinc/48/90/20/563489020.db2.gz ILRVYZJSJLZFQX-UHFFFAOYSA-N 1 0 386.323 2.941 20 0 GFADRO Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)c1ccc(S(N)(=O)=O)s1 ZINC000428388766 563489281 /nfs/dbraw/zinc/48/92/81/563489281.db2.gz NVNAPJLQALXGIR-UHFFFAOYSA-N 1 0 379.507 2.552 20 0 GFADRO CCN1CCN(Cc2cc3c(cc2Br)OCO3)C[C@@H]1c1ncc[nH]1 ZINC000329967661 563492281 /nfs/dbraw/zinc/49/22/81/563492281.db2.gz WIDKKSDXQFZZQH-CQSZACIVSA-N 1 0 393.285 2.780 20 0 GFADRO CC[NH+](CC)[C@H](CNC(=O)C(=O)Nc1cccc(Cl)n1)c1ccsc1 ZINC000284860141 563492807 /nfs/dbraw/zinc/49/28/07/563492807.db2.gz UMZBWBKXSXKZOJ-CYBMUJFWSA-N 1 0 380.901 2.934 20 0 GFADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@H]1CCO[C@]2(CCSC2)C1 ZINC000428465722 563493058 /nfs/dbraw/zinc/49/30/58/563493058.db2.gz XNXLJWMLHJGJRL-IVMMDQJWSA-N 1 0 387.343 2.644 20 0 GFADRO Cc1nc(-c2ccc(S(=O)(=O)N[C@@H]3CN(C4CC4)C[C@H]3C)s2)cs1 ZINC000330147005 563496819 /nfs/dbraw/zinc/49/68/19/563496819.db2.gz LPAABDKPQUNHBY-ZWNOBZJWSA-N 1 0 383.564 2.941 20 0 GFADRO C[C@@H]([NH2+][C@@H]1CC(=O)N(C)[C@H]1c1ccnn1C)c1ccc(Br)cc1 ZINC000284980085 563497553 /nfs/dbraw/zinc/49/75/53/563497553.db2.gz XVLXIIRDHALQSQ-JDSLSITLSA-N 1 0 377.286 2.805 20 0 GFADRO CS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCCc3cc(C[NH3+])ccc32)c1 ZINC000378191848 563498379 /nfs/dbraw/zinc/49/83/79/563498379.db2.gz VZJXIUMCMOECPW-UHFFFAOYSA-N 1 0 378.881 2.795 20 0 GFADRO O=C(CC[N@H+]1CCOC[C@@H]1[C@@H]1CCC[C@@H]1O)Nc1ccccc1Br ZINC000285037067 563500316 /nfs/dbraw/zinc/50/03/16/563500316.db2.gz ZZTWZSITZFJPJN-XKQJLSEDSA-N 1 0 397.313 2.640 20 0 GFADRO C[C@@H](NC(=O)c1cnc(Sc2nccn2C)c(Cl)c1)[C@@H]1CCC[NH2+]C1 ZINC000428951585 563504913 /nfs/dbraw/zinc/50/49/13/563504913.db2.gz JYQNWVWPKOOBTQ-VXGBXAGGSA-N 1 0 379.917 2.738 20 0 GFADRO C[NH+](C)Cc1cccc(NC(=O)C(=O)N2CC[C@@]3(C)[C@@H](C2)C3(Cl)Cl)c1 ZINC000285139600 563505143 /nfs/dbraw/zinc/50/51/43/563505143.db2.gz IYEYASJNEYCUCW-PBHICJAKSA-N 1 0 384.307 2.729 20 0 GFADRO Cc1nnc(COCC(=O)Nc2nc(CN3CCC[C@H](C)C3)cs2)s1 ZINC000285155290 563505590 /nfs/dbraw/zinc/50/55/90/563505590.db2.gz QJQSQUHBZFNBTO-NSHDSACASA-N 1 0 381.527 2.690 20 0 GFADRO COC(=O)c1ccc(Br)cc1CN1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000330433115 563505602 /nfs/dbraw/zinc/50/56/02/563505602.db2.gz KKZRPQJOFMIYFK-CYBMUJFWSA-N 1 0 399.329 2.513 20 0 GFADRO COc1cc(Br)cc(C)c1NC(=O)N1CC[C@@H]2OCCN(C)[C@@H]2C1 ZINC000285230829 563509573 /nfs/dbraw/zinc/50/95/73/563509573.db2.gz NGCAVDCQJGFJLW-KGLIPLIRSA-N 1 0 398.301 2.703 20 0 GFADRO CCC[N@H+](CCOc1c(Br)cccc1Br)CC(N)=O ZINC000429131258 563510854 /nfs/dbraw/zinc/51/08/54/563510854.db2.gz TUAMZCOXOYIMQU-UHFFFAOYSA-N 1 0 394.107 2.788 20 0 GFADRO Cc1cc(Br)c(F)cc1NC(=O)N1CC[N@@H+](C[C@@H](C)O)C[C@@H]1C ZINC000285265819 563511842 /nfs/dbraw/zinc/51/18/42/563511842.db2.gz SGDHEHLVOGAFDC-NWDGAFQWSA-N 1 0 388.281 2.815 20 0 GFADRO COCC(C)(C)[N@H+](C)CC(=O)Nc1ccc(I)cc1C ZINC000429241765 563512219 /nfs/dbraw/zinc/51/22/19/563512219.db2.gz YOIZPHSYCXRDDO-UHFFFAOYSA-N 1 0 390.265 2.895 20 0 GFADRO Oc1cccc2c1C[C@H]([NH2+]C[C@@H](O)COc1cccc(Br)c1)C2 ZINC000429229035 563512348 /nfs/dbraw/zinc/51/23/48/563512348.db2.gz VMJHANFHNHDIFP-HUUCEWRRSA-N 1 0 378.266 2.651 20 0 GFADRO Oc1cccc2c1C[C@H]([NH2+]C[C@H](O)COc1ccc(Br)cc1)C2 ZINC000429301890 563514247 /nfs/dbraw/zinc/51/42/47/563514247.db2.gz OZUPWYDUUXSCSS-CABCVRRESA-N 1 0 378.266 2.651 20 0 GFADRO CS(=O)(=O)N[C@H]1CCCC[C@@H]1[NH2+]CCCc1ccccc1Br ZINC000330618242 563514303 /nfs/dbraw/zinc/51/43/03/563514303.db2.gz YBVJUNGQIYEGOE-HOTGVXAUSA-N 1 0 389.359 2.832 20 0 GFADRO Cc1cc(COc2ccc(C(=O)N(C)[C@H](C)C[NH3+])cc2Br)no1 ZINC000429322190 563515025 /nfs/dbraw/zinc/51/50/25/563515025.db2.gz IUWRPRSLPJDLFM-SNVBAGLBSA-N 1 0 382.258 2.744 20 0 GFADRO CN(CC(C)(C)C[NH3+])C(=O)[C@H](c1ccc(Cl)cc1Cl)N1CCOCC1 ZINC000429489558 563517771 /nfs/dbraw/zinc/51/77/71/563517771.db2.gz BBENHDVCTNNRBK-INIZCTEOSA-N 1 0 388.339 2.810 20 0 GFADRO C[N@H+](CCCNC(=O)C1CCC1)C[C@H](O)COc1c(Cl)cccc1Cl ZINC000429550933 563518994 /nfs/dbraw/zinc/51/89/94/563518994.db2.gz WSQTXGQQZAFVCK-AWEZNQCLSA-N 1 0 389.323 2.971 20 0 GFADRO C[C@@H]1CC[C@H]([N@H+](C)CC(=O)Nc2ccc(Cl)c(S(=O)(=O)N(C)C)c2)C1 ZINC000429571401 563519023 /nfs/dbraw/zinc/51/90/23/563519023.db2.gz DCCDJUUGNRXRRZ-OCCSQVGLSA-N 1 0 387.933 2.649 20 0 GFADRO O=C(c1ccc(Cl)s1)N1CCC(C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000429661018 563520344 /nfs/dbraw/zinc/52/03/44/563520344.db2.gz OYVKIXJTMCZOJJ-KGLIPLIRSA-N 1 0 381.929 2.607 20 0 GFADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)c1cccc2cccc(Br)c21 ZINC000285491513 563523466 /nfs/dbraw/zinc/52/34/66/563523466.db2.gz PKGCJDNFBKMGSN-CQSZACIVSA-N 1 0 390.325 2.968 20 0 GFADRO [NH3+]C1CCN(S(=O)(=O)c2ccc(Br)c(C(F)(F)F)c2)CC1 ZINC000390822467 563523858 /nfs/dbraw/zinc/52/38/58/563523858.db2.gz ADTOKGMWELICSD-UHFFFAOYSA-N 1 0 387.221 2.580 20 0 GFADRO COC(=O)CC[N@H+](CCOc1ccc(Br)cc1)C[C@@H]1CCCO1 ZINC000391367082 563524196 /nfs/dbraw/zinc/52/41/96/563524196.db2.gz ZNIMDFHNAAJDQL-INIZCTEOSA-N 1 0 386.286 2.872 20 0 GFADRO O[C@H](COc1ccc(Br)cc1)C[N@@H+]1CCC[C@](O)(C(F)(F)F)C1 ZINC000330861772 563524808 /nfs/dbraw/zinc/52/48/08/563524808.db2.gz LRFCFQFJZODVSU-GXTWGEPZSA-N 1 0 398.219 2.578 20 0 GFADRO C[C@@H]([NH3+])[C@H](C)NS(=O)(=O)c1c(Cl)cc(Br)cc1Cl ZINC000394536976 563530396 /nfs/dbraw/zinc/53/03/96/563530396.db2.gz VCQVIFAGIUKBNW-RITPCOANSA-N 1 0 376.103 2.770 20 0 GFADRO CC(=O)N[C@H](CC(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(Br)cc1 ZINC000330917530 563527310 /nfs/dbraw/zinc/52/73/10/563527310.db2.gz WHZPKXJNMJIPGM-CSMYWGQOSA-N 1 0 396.329 2.615 20 0 GFADRO O[C@H](C[NH2+]Cc1cc(Br)cc2c1OCC2)COc1ccccc1 ZINC000393377286 563528417 /nfs/dbraw/zinc/52/84/17/563528417.db2.gz MVCSTVWIXNZAQH-MRXNPFEDSA-N 1 0 378.266 2.914 20 0 GFADRO Cc1cccc(NC(=O)C(=O)NCC2([NH+](C)C)CCCC2)c1Br ZINC000330947499 563528888 /nfs/dbraw/zinc/52/88/88/563528888.db2.gz IFNNXXXPCVFDKV-UHFFFAOYSA-N 1 0 382.302 2.687 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)C(=O)N1CCC[N@@H+](CC)CC1 ZINC000429922988 563529007 /nfs/dbraw/zinc/52/90/07/563529007.db2.gz IFLBXEMZZWKTTC-UHFFFAOYSA-N 1 0 382.302 2.504 20 0 GFADRO O=C(Nc1cc2ccc(Br)cn2n1)N1CC[NH+](C2CCCC2)CC1 ZINC000429967679 563530170 /nfs/dbraw/zinc/53/01/70/563530170.db2.gz XJWKCMMFZPKGBV-UHFFFAOYSA-N 1 0 392.301 3.189 20 0 GFADRO O=S1(=O)CCC[C@@H]([NH2+]Cc2cc(Br)cc(Br)c2)C1 ZINC000394580124 563530156 /nfs/dbraw/zinc/53/01/56/563530156.db2.gz TZORVPRMFRFAOH-GFCCVEGCSA-N 1 0 397.132 2.878 20 0 GFADRO OCC[C@@H]([NH2+]C[C@H](O)COC1CCOCC1)c1ccc(Cl)c(Cl)c1 ZINC000285636608 563530248 /nfs/dbraw/zinc/53/02/48/563530248.db2.gz RNSGPUXMEAZNID-SUMWQHHRSA-N 1 0 378.296 2.563 20 0 GFADRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1[C@@H](C(N)=O)c1ccc(Br)cc1F ZINC000285645694 563530430 /nfs/dbraw/zinc/53/04/30/563530430.db2.gz RZODQEVHSYMRMQ-AXAPSJFSSA-N 1 0 384.293 2.673 20 0 GFADRO C[NH+](C)CCCC(C)(C)NS(=O)(=O)c1ccc(Br)c(F)c1 ZINC000395765294 563530923 /nfs/dbraw/zinc/53/09/23/563530923.db2.gz XVQXSCZXROEEJS-UHFFFAOYSA-N 1 0 381.311 2.987 20 0 GFADRO C[C@H](NC(=O)c1ccc(F)cc1I)C1CC[NH+](C)CC1 ZINC000396508741 563531005 /nfs/dbraw/zinc/53/10/05/563531005.db2.gz ZDKZSGAOTGFENL-JTQLQIEISA-N 1 0 390.240 2.890 20 0 GFADRO Cc1ccc(S(=O)(=O)N2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)c(Br)c1 ZINC000397251691 563531456 /nfs/dbraw/zinc/53/14/56/563531456.db2.gz CTNVVOATMOGWNT-AGIUHOORSA-N 1 0 375.332 2.751 20 0 GFADRO CC(=O)Nc1ccc(S(=O)(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)cc1Cl ZINC000331074288 563533732 /nfs/dbraw/zinc/53/37/32/563533732.db2.gz GIAPWURAOHEROR-CYBMUJFWSA-N 1 0 387.933 2.697 20 0 GFADRO CC[NH+](CC)CCN(Cc1cccs1)C(=O)COCc1nnc(C)s1 ZINC000285753573 563535344 /nfs/dbraw/zinc/53/53/44/563535344.db2.gz SEABGPOOUOZFGU-UHFFFAOYSA-N 1 0 382.555 2.795 20 0 GFADRO C[C@H]1CCCN(CCS(=O)(=O)c2ccc(Br)cc2)[C@H]1CC[NH3+] ZINC000404353450 563537140 /nfs/dbraw/zinc/53/71/40/563537140.db2.gz KJADVHVGWLAKPC-BBRMVZONSA-N 1 0 389.359 2.672 20 0 GFADRO CCO[C@@H]1CN(CC(=O)Nc2c(Cl)cc(Cl)cc2Cl)C[C@H]1C[NH3+] ZINC000405382880 563539333 /nfs/dbraw/zinc/53/93/33/563539333.db2.gz OHYKRGADLXCTSZ-NOZJJQNGSA-N 1 0 380.703 2.881 20 0 GFADRO CCCCOCCN(C(=O)COC1C[NH2+]C1)c1ccc(Br)cc1 ZINC000430374467 563542221 /nfs/dbraw/zinc/54/22/21/563542221.db2.gz AAKMLQJCLILITG-UHFFFAOYSA-N 1 0 385.302 2.587 20 0 GFADRO C[C@@H]1C[C@@H](C)C[NH+](CCCNS(=O)(=O)c2cnccc2C(F)(F)F)C1 ZINC000331262456 563542650 /nfs/dbraw/zinc/54/26/50/563542650.db2.gz DLKMTEFNKRSMQK-CHWSQXEVSA-N 1 0 379.448 2.747 20 0 GFADRO [NH3+]CC[C@@H]1CCCCN1C(=O)c1cnn(-c2ccc(Br)cc2)c1 ZINC000285959046 563543919 /nfs/dbraw/zinc/54/39/19/563543919.db2.gz GTYDFVQALHZZOW-HNNXBMFYSA-N 1 0 377.286 2.978 20 0 GFADRO CC(C)(CN1C(=O)N[C@@H](Cc2c[nH]cn2)C1=O)c1ccc(Br)cc1 ZINC000285965979 563544036 /nfs/dbraw/zinc/54/40/36/563544036.db2.gz OMMZEIDMYVSQIJ-AWEZNQCLSA-N 1 0 391.269 2.613 20 0 GFADRO C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)c1cc(F)ccc1I ZINC000286000285 563545434 /nfs/dbraw/zinc/54/54/34/563545434.db2.gz ISZDSISTAGEMBG-JRKPZEMJSA-N 1 0 376.213 2.547 20 0 GFADRO C[C@@H]1CCCN(Cc2nc(Cc3cccc(Br)c3)no2)[C@@H]1C[NH3+] ZINC000430594573 563546184 /nfs/dbraw/zinc/54/61/84/563546184.db2.gz GNNDEPSGCGQWCW-IUODEOHRSA-N 1 0 379.302 2.982 20 0 GFADRO [NH3+]CC[C@H]1CCCCN1C(=O)c1ccc(I)c(F)c1 ZINC000286065357 563547973 /nfs/dbraw/zinc/54/79/73/563547973.db2.gz MAKWDFWCENEATC-LLVKDONJSA-N 1 0 376.213 2.774 20 0 GFADRO [NH3+]CC(=O)N1CCN(Cc2ccc(-c3cccc(Br)c3)s2)CC1 ZINC000430713223 563548250 /nfs/dbraw/zinc/54/82/50/563548250.db2.gz GJRUHJIFWUCLDG-UHFFFAOYSA-N 1 0 394.338 2.781 20 0 GFADRO CN1CC[NH+](CC2CCN(C(=O)Nc3cc(Cl)c(Cl)cn3)CC2)CC1 ZINC000408280880 563550128 /nfs/dbraw/zinc/55/01/28/563550128.db2.gz RDQMKSMWQCOVLZ-UHFFFAOYSA-N 1 0 386.327 2.880 20 0 GFADRO Cc1c(C(=O)N2CCCC[C@@H]2CC[NH3+])nnn1-c1cccc(Br)c1 ZINC000286166849 563550876 /nfs/dbraw/zinc/55/08/76/563550876.db2.gz QRHYKRQQDQETOV-CQSZACIVSA-N 1 0 392.301 2.682 20 0 GFADRO O=C(NCc1cn2cc(Br)ccc2n1)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000431056449 563552088 /nfs/dbraw/zinc/55/20/88/563552088.db2.gz CRSMBRMENJXGIS-GLQYFDAESA-N 1 0 377.286 2.634 20 0 GFADRO COc1cc(C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@H]2C)cc(Br)c1OC ZINC000331591381 563554521 /nfs/dbraw/zinc/55/45/21/563554521.db2.gz XVSXPVXTEJRVIU-YGRLFVJLSA-N 1 0 383.286 2.679 20 0 GFADRO C[C@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH2+]C[C@]1(O)CCOC1 ZINC000286331769 563556455 /nfs/dbraw/zinc/55/64/55/563556455.db2.gz DSEGAWGPKDFMFT-MEBBXXQBSA-N 1 0 380.794 2.817 20 0 GFADRO C[C@H](Sc1ccc(Br)cc1)C(=O)NC[C@@](C)(O)CC[NH+](C)C ZINC000431376040 563559819 /nfs/dbraw/zinc/55/98/19/563559819.db2.gz DDEFQXXTMCJFED-LRDDRELGSA-N 1 0 389.359 2.749 20 0 GFADRO Ic1cnc(C[NH2+][C@H]2CCO[C@@]3(CCSC3)C2)s1 ZINC000286480776 563561569 /nfs/dbraw/zinc/56/15/69/563561569.db2.gz LGZKIJNKMDIBIP-CABZTGNLSA-N 1 0 396.319 2.892 20 0 GFADRO COC(=O)c1ccc(S(=O)(=O)N2CCC[C@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)s1 ZINC000331837261 563563790 /nfs/dbraw/zinc/56/37/90/563563790.db2.gz OXEHICBRTUYRHH-MJBXVCDLSA-N 1 0 386.539 2.561 20 0 GFADRO CC[NH+](CC)[C@H]1CCN(C(=O)c2cnc3ccc(Br)cc3c2O)C1 ZINC000331966043 563569011 /nfs/dbraw/zinc/56/90/11/563569011.db2.gz KGKFACUOOLJAJN-ZDUSSCGKSA-N 1 0 392.297 2.847 20 0 GFADRO CC[NH+](CC)CCN(CCOC)C(=O)C1(c2cncc(Br)c2)CC1 ZINC000409801252 563571394 /nfs/dbraw/zinc/57/13/94/563571394.db2.gz NBFIUNAYHUQCIA-UHFFFAOYSA-N 1 0 398.345 2.693 20 0 GFADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)Nc1c(C)cc(C)cc1Br ZINC000431969552 563571913 /nfs/dbraw/zinc/57/19/13/563571913.db2.gz FOVYORGQZMSOKS-ZDUSSCGKSA-N 1 0 384.318 2.851 20 0 GFADRO CC1CC[NH+](CCNC(=O)c2cc(Br)c3c(c2)OCCO3)CC1 ZINC000332022674 563572259 /nfs/dbraw/zinc/57/22/59/563572259.db2.gz MHXGWFXGYQMTHM-UHFFFAOYSA-N 1 0 383.286 2.682 20 0 GFADRO Cc1cc(NC(=O)C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@@H]32)cc(C)c1Br ZINC000332043140 563572712 /nfs/dbraw/zinc/57/27/12/563572712.db2.gz LDLOXGLLNKNWHA-HIFRSBDPSA-N 1 0 394.313 2.557 20 0 GFADRO CN(C)S(=O)(=O)c1cccc(C[NH2+][C@H](CCO)c2ccc(Cl)cc2)c1 ZINC000286896941 563578891 /nfs/dbraw/zinc/57/88/91/563578891.db2.gz ISSIYBMLISYXAD-GOSISDBHSA-N 1 0 382.913 2.804 20 0 GFADRO Cc1oc(Br)cc1C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000332138510 563579286 /nfs/dbraw/zinc/57/92/86/563579286.db2.gz LQCXRBVDLQYQRD-CABCVRRESA-N 1 0 385.302 2.848 20 0 GFADRO CS(=O)(=O)N1CCC[C@@H]1C[NH2+]C1CC(c2cccc(Br)c2)C1 ZINC000432413323 563583346 /nfs/dbraw/zinc/58/33/46/563583346.db2.gz GDUXMAOPSYUCOP-AVVWSFFYSA-N 1 0 387.343 2.709 20 0 GFADRO CCS(=O)(=O)NCCC[NH2+]C1CC(c2cccc(Br)c2)C1 ZINC000432421859 563584270 /nfs/dbraw/zinc/58/42/70/563584270.db2.gz BLVLAHACYBPLND-UHFFFAOYSA-N 1 0 375.332 2.614 20 0 GFADRO C[C@@H]1CCN(C(=O)c2cc(=O)[nH]c3c(Br)cccc23)C[C@H]1C[NH3+] ZINC000332224275 563585193 /nfs/dbraw/zinc/58/51/93/563585193.db2.gz NMKBMSNQLKLIJA-GHMZBOCLSA-N 1 0 378.270 2.760 20 0 GFADRO [NH3+][C@H]1CCN(C(=O)C(=O)N2CCC(=Cc3cc(Cl)ccc3Cl)CC2)C1 ZINC000332294932 563590773 /nfs/dbraw/zinc/59/07/73/563590773.db2.gz OHTZZYGKKRQSOX-HNNXBMFYSA-N 1 0 382.291 2.559 20 0 GFADRO CC(C)[N@@H+]1CCCN(C(=O)C(=O)N(C)Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000410440779 563591128 /nfs/dbraw/zinc/59/11/28/563591128.db2.gz IWMILSFUOJNRII-UHFFFAOYSA-N 1 0 386.323 2.895 20 0 GFADRO CNC(=O)c1cccc(NC(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)c1Br ZINC000287249468 563593683 /nfs/dbraw/zinc/59/36/83/563593683.db2.gz CKSARROUPJSOFU-GFCCVEGCSA-N 1 0 397.317 2.614 20 0 GFADRO O=C([C@@H]1CC[N@@H+](C[C@H](O)COc2ccc(Cl)cc2Cl)C1)N1CCCC1 ZINC000287255977 563593690 /nfs/dbraw/zinc/59/36/90/563593690.db2.gz HCIVBJHWMYOEQR-HIFRSBDPSA-N 1 0 387.307 2.677 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000332373632 563595414 /nfs/dbraw/zinc/59/54/14/563595414.db2.gz SQDDPJURGLREPM-NWANDNLSSA-N 1 0 394.313 2.590 20 0 GFADRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2nn(C)cc2Br)C1 ZINC000432882159 563596149 /nfs/dbraw/zinc/59/61/49/563596149.db2.gz WQSBQEQLAKKISM-TZMCWYRMSA-N 1 0 377.286 2.748 20 0 GFADRO CCN(CCC[NH+](C)C)C(=O)C(=O)N(C)Cc1ccc(Br)cc1C ZINC000410809209 563596598 /nfs/dbraw/zinc/59/65/98/563596598.db2.gz MKDKCKDRJNUGPP-UHFFFAOYSA-N 1 0 398.345 2.516 20 0 GFADRO CNC(=O)c1cccc(NC(=O)N2CCC[C@@H]([NH+](C)C)CC2)c1Br ZINC000287334879 563596863 /nfs/dbraw/zinc/59/68/63/563596863.db2.gz IFYOOCIVUCTQJY-GFCCVEGCSA-N 1 0 397.317 2.757 20 0 GFADRO CNC(=O)c1cccc(NC(=O)NCC[N@@H+]2CCCC[C@H]2C)c1Br ZINC000287373223 563598700 /nfs/dbraw/zinc/59/87/00/563598700.db2.gz KUDYRPUQXWPBLD-GFCCVEGCSA-N 1 0 397.317 2.805 20 0 GFADRO CNC(=O)c1cccc(NC(=O)NCC[NH+]2CCC(C)CC2)c1Br ZINC000287440248 563601661 /nfs/dbraw/zinc/60/16/61/563601661.db2.gz PFSRQYMOJPTNPJ-UHFFFAOYSA-N 1 0 397.317 2.662 20 0 GFADRO C[NH+](C)CC1CCN(C(=O)c2cnc3ccc(Br)cc3c2O)CC1 ZINC000332491834 563601837 /nfs/dbraw/zinc/60/18/37/563601837.db2.gz ARSJKNUBLKVRLC-UHFFFAOYSA-N 1 0 392.297 2.704 20 0 GFADRO O=C(Nc1ccc(I)cc1)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000332578138 563604715 /nfs/dbraw/zinc/60/47/15/563604715.db2.gz ZHDMBGYTVAPBPF-JTNHKYCSSA-N 1 0 385.249 2.801 20 0 GFADRO Cc1cc(I)ccc1NC(=O)C[NH2+][C@H]1CCOC[C@@H]1C ZINC000433176988 563605093 /nfs/dbraw/zinc/60/50/93/563605093.db2.gz PISHZCXVKQQZAD-AAEUAGOBSA-N 1 0 388.249 2.553 20 0 GFADRO CCOC(=O)C[C@H](NC(=O)[C@H](C[NH3+])C(C)C)c1ccc(Br)cc1 ZINC000433150350 563605127 /nfs/dbraw/zinc/60/51/27/563605127.db2.gz GDGVHXGIZKASAN-CABCVRRESA-N 1 0 385.302 2.791 20 0 GFADRO CC1CC[NH+](C[C@@H](O)CNS(=O)(=O)Cc2ccc(Cl)cc2Cl)CC1 ZINC000332586258 563605822 /nfs/dbraw/zinc/60/58/22/563605822.db2.gz CANYFZCAASFGST-HNNXBMFYSA-N 1 0 395.352 2.506 20 0 GFADRO COC[C@@H]([NH2+]Cc1cc(Br)c2c(c1)OCCCO2)[C@@H]1CCCO1 ZINC000433198123 563606110 /nfs/dbraw/zinc/60/61/10/563606110.db2.gz DPKFUJYNTOXNHX-CABCVRRESA-N 1 0 386.286 2.894 20 0 GFADRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)Nc1ccc2nccnc2c1Br ZINC000332592585 563606442 /nfs/dbraw/zinc/60/64/42/563606442.db2.gz LANQRCSVIUAKCO-GHMZBOCLSA-N 1 0 378.274 2.949 20 0 GFADRO CCC[NH+]1CCC(NC(=O)c2cc(Br)c3c(c2)OCCO3)CC1 ZINC000332602464 563606600 /nfs/dbraw/zinc/60/66/00/563606600.db2.gz NONWHIGZTVIUEA-UHFFFAOYSA-N 1 0 383.286 2.825 20 0 GFADRO C[C@@H](C(=O)Nc1cccc(Br)c1)[N@@H+]1CC[C@H](C(=O)N2CCCC2)C1 ZINC000287571952 563608075 /nfs/dbraw/zinc/60/80/75/563608075.db2.gz XLMNTIGXZYRJDX-KBPBESRZSA-N 1 0 394.313 2.720 20 0 GFADRO CC(C)NC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@H](Cc2ccc(Br)cc2)C1 ZINC000433295560 563609129 /nfs/dbraw/zinc/60/91/29/563609129.db2.gz DOIMZRFXYVQDFD-ZFWWWQNUSA-N 1 0 396.329 2.936 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)N[C@H]2CCN(c3ccccc3Br)C2)C1 ZINC000332641144 563609321 /nfs/dbraw/zinc/60/93/21/563609321.db2.gz GEXIOVBSWVHAEO-KKUMJFAQSA-N 1 0 395.345 2.797 20 0 GFADRO O=C(NCC[NH2+]Cc1ccc(-c2cc[nH]n2)o1)c1ccc(Br)cc1 ZINC000433330476 563610099 /nfs/dbraw/zinc/61/00/99/563610099.db2.gz JORLKAUIIKJFBO-UHFFFAOYSA-N 1 0 389.253 2.952 20 0 GFADRO C[C@@H]1CN(C(=O)Nc2nnc(-c3cccc(Br)c3)s2)CC[C@H]1[NH3+] ZINC000332673799 563611147 /nfs/dbraw/zinc/61/11/47/563611147.db2.gz QAGMLSYCHXHPBY-BXKDBHETSA-N 1 0 396.314 3.169 20 0 GFADRO CCN1CCc2nc(NC(=O)C3CC[NH+]([C@H]4CCSC4)CC3)sc2C1 ZINC000411258320 563612311 /nfs/dbraw/zinc/61/23/11/563612311.db2.gz UXXGAVPEDVYWSM-AWEZNQCLSA-N 1 0 380.583 2.677 20 0 GFADRO C[NH+](C)C[C@H]1CN(Cc2c(F)c(F)c(Br)c(F)c2F)CCO1 ZINC000411247126 563612338 /nfs/dbraw/zinc/61/23/38/563612338.db2.gz PCEIFRDTBUDCGB-QMMMGPOBSA-N 1 0 385.199 2.768 20 0 GFADRO C[C@@H]1C[C@H](NS(=O)(=O)c2cc(Br)sc2Cl)CC[N@@H+]1C ZINC000433659122 563617567 /nfs/dbraw/zinc/61/75/67/563617567.db2.gz JJHQJTSRHRHFJM-HTQZYQBOSA-N 1 0 387.752 2.925 20 0 GFADRO COCCO[C@@H]1CCC[N@H+](CCC(=O)Nc2ccccc2Br)C1 ZINC000411408890 563618238 /nfs/dbraw/zinc/61/82/38/563618238.db2.gz ORJQMRQLMKCJKS-CQSZACIVSA-N 1 0 385.302 2.905 20 0 GFADRO O=C1Nc2cc(Cl)ccc2[C@@H]1C1CC[NH+](C[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000333031748 563618365 /nfs/dbraw/zinc/61/83/65/563618365.db2.gz MJBXETKJNLUMTB-SJCJKPOMSA-N 1 0 382.913 2.522 20 0 GFADRO O=C1Nc2cc(Cl)ccc2[C@H]1C1CC[NH+](C[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000333031750 563618403 /nfs/dbraw/zinc/61/84/03/563618403.db2.gz MJBXETKJNLUMTB-YVEFUNNKSA-N 1 0 382.913 2.522 20 0 GFADRO Cc1cc([C@@H](C)[NH2+]CCC(=O)Nc2cccc(S(N)(=O)=O)c2)c(C)s1 ZINC000411445767 563619418 /nfs/dbraw/zinc/61/94/18/563619418.db2.gz NHDZWUWFCDBSRO-GFCCVEGCSA-N 1 0 381.523 2.692 20 0 GFADRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)NCCc1nc(C(F)(F)F)cs1 ZINC000287819820 563619472 /nfs/dbraw/zinc/61/94/72/563619472.db2.gz CHOVJJAAVCYFRU-NWDGAFQWSA-N 1 0 376.448 2.973 20 0 GFADRO C[C@H](c1cccc(S(N)(=O)=O)c1)[N@H+](C)C[C@@H](O)Cc1cccc(Cl)c1 ZINC000287906026 563622596 /nfs/dbraw/zinc/62/25/96/563622596.db2.gz VEMMNNHXMXQYEQ-DYVFJYSZSA-N 1 0 382.913 2.584 20 0 GFADRO O=C(Nc1cc(Br)ccc1-n1cccn1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000333181667 563623481 /nfs/dbraw/zinc/62/34/81/563623481.db2.gz PXBZOGUVDKGHLW-QWHCGFSZSA-N 1 0 390.285 2.708 20 0 GFADRO CSc1cc(NC(=O)C(=O)N2CC[N@@H+](C3CC3)C[C@H](C)C2)ccc1Cl ZINC000411565322 563623865 /nfs/dbraw/zinc/62/38/65/563623865.db2.gz GRHBQSDMBJCZPI-LBPRGKRZSA-N 1 0 381.929 2.943 20 0 GFADRO C[C@@H]1CC2(CN1C(=O)c1cc(Br)c3c(c1)OCCO3)CC[NH2+]CC2 ZINC000333239645 563625554 /nfs/dbraw/zinc/62/55/54/563625554.db2.gz ARLFHCQVYZTGMO-GFCCVEGCSA-N 1 0 395.297 2.825 20 0 GFADRO CC[NH+]1CCC(NC(=O)CN[C@H](C)c2ccc(Br)cc2OC)CC1 ZINC000411624044 563626116 /nfs/dbraw/zinc/62/61/16/563626116.db2.gz XGNWNDQIBHOAGI-CYBMUJFWSA-N 1 0 398.345 2.709 20 0 GFADRO O=C(NCC1(C[NH+]2CCOCC2)CCCCC1)c1ccc(Br)cn1 ZINC000434156353 563626598 /nfs/dbraw/zinc/62/65/98/563626598.db2.gz AUWDAYSCNYJYJU-UHFFFAOYSA-N 1 0 396.329 2.857 20 0 GFADRO [NH3+][C@@H]1CCO[C@H](C2CCN(C(=O)c3cc(Br)ccc3F)CC2)C1 ZINC000333286162 563626907 /nfs/dbraw/zinc/62/69/07/563626907.db2.gz NIBOGDHDGBMTNX-CJNGLKHVSA-N 1 0 385.277 2.947 20 0 GFADRO C[C@@H]1CN(C(=O)Nc2ccc(-c3ccc(Br)s3)nn2)[C@@H](C)C[NH2+]1 ZINC000333306881 563627267 /nfs/dbraw/zinc/62/72/67/563627267.db2.gz LBZDRFRMHFDVJT-ZJUUUORDSA-N 1 0 396.314 3.182 20 0 GFADRO C[C@@H](NC(=O)C(=O)N(C)C[C@H]1CCC[N@H+](C)C1)c1cccc(Cl)c1Cl ZINC000288166205 563631977 /nfs/dbraw/zinc/63/19/77/563631977.db2.gz MIDMLDRLDNVOQJ-OLZOCXBDSA-N 1 0 386.323 2.971 20 0 GFADRO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(S(=O)(=O)c2ccc(C(F)(F)F)s2)CC1 ZINC000333499417 563634062 /nfs/dbraw/zinc/63/40/62/563634062.db2.gz FEWVFYCSOWMNDE-BXUZGUMPSA-N 1 0 398.472 2.674 20 0 GFADRO C[C@@H](C(=O)Nc1ccc(I)cc1)[N@H+](C)CCCCCO ZINC000434667788 563634357 /nfs/dbraw/zinc/63/43/57/563634357.db2.gz YVOHLWFJFRSSFP-LBPRGKRZSA-N 1 0 390.265 2.713 20 0 GFADRO C[C@@H]1CN(CC[N@H+](C)Cc2ccc(I)cc2)C[C@H](C)O1 ZINC000434694025 563635116 /nfs/dbraw/zinc/63/51/16/563635116.db2.gz PXTHXSFTQQIOGL-OKILXGFUSA-N 1 0 388.293 2.832 20 0 GFADRO C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)c1cc(I)ccc1Cl ZINC000434704432 563635410 /nfs/dbraw/zinc/63/54/10/563635410.db2.gz FBOIRNKIAOENJY-DTWKUNHWSA-N 1 0 378.641 2.767 20 0 GFADRO Cc1c(Br)ccc(NC(=O)C(=O)NCCC[N@@H+](C)C(C)C)c1F ZINC000434726899 563636091 /nfs/dbraw/zinc/63/60/91/563636091.db2.gz NCFITPYTSOENSL-UHFFFAOYSA-N 1 0 388.281 2.682 20 0 GFADRO CCc1csc(NC(=O)C(=O)NC[C@@H](c2ccsc2)[NH+](CC)CC)n1 ZINC000434723619 563636525 /nfs/dbraw/zinc/63/65/25/563636525.db2.gz CEJZWJYHQCZSJC-AWEZNQCLSA-N 1 0 380.539 2.905 20 0 GFADRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)N[C@H]3CCc4c3ccc(F)c4Br)C[C@@H]12 ZINC000333646785 563638160 /nfs/dbraw/zinc/63/81/60/563638160.db2.gz VEGKFBZOHQDJTQ-VHIFSBLJSA-N 1 0 382.277 2.954 20 0 GFADRO O=S(=O)(N(Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2)N1CCCCCC1 ZINC000333639759 563638172 /nfs/dbraw/zinc/63/81/72/563638172.db2.gz BZQPIOUJCMUQPJ-QGZVFWFLSA-N 1 0 383.583 2.813 20 0 GFADRO O=S(=O)(CCCCF)NC1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000288368572 563640126 /nfs/dbraw/zinc/64/01/26/563640126.db2.gz YWZKMZFAELLRSU-UHFFFAOYSA-N 1 0 392.924 2.852 20 0 GFADRO C[C@]1(CNC(=O)N[C@@H]2COc3cc(F)c(Br)cc32)CCC[NH2+]C1 ZINC000333744186 563640692 /nfs/dbraw/zinc/64/06/92/563640692.db2.gz JFNSJJAICXEDHK-CJNGLKHVSA-N 1 0 386.265 2.711 20 0 GFADRO O=S(=O)(Cc1cccc(Cl)c1)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000288402993 563641569 /nfs/dbraw/zinc/64/15/69/563641569.db2.gz QPKDOSJQLGIITM-UHFFFAOYSA-N 1 0 386.945 2.747 20 0 GFADRO O=C(NC[C@@H]1CCC[NH2+]1)N1CCO[C@H](c2cc(F)c(Cl)cc2Cl)C1 ZINC000333792107 563641820 /nfs/dbraw/zinc/64/18/20/563641820.db2.gz GINXBKLVNVGZHM-BONVTDFDSA-N 1 0 376.259 2.967 20 0 GFADRO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(C(=O)c2ccc(Br)c(F)c2)CC1 ZINC000333785213 563641925 /nfs/dbraw/zinc/64/19/25/563641925.db2.gz FIAPXKBRXORGJN-HZPDHXFCSA-N 1 0 385.277 2.947 20 0 GFADRO [NH3+][C@H]1CCCO[C@@H]1C1CCN(C(=O)c2cc(Br)ccc2F)CC1 ZINC000333844737 563643295 /nfs/dbraw/zinc/64/32/95/563643295.db2.gz OYGZLSYNLUJCIA-JKSUJKDBSA-N 1 0 385.277 2.947 20 0 GFADRO O=C(NC[C@H]1C[NH2+]CCCO1)N1CCC(c2cccc(Br)c2)CC1 ZINC000333861157 563643808 /nfs/dbraw/zinc/64/38/08/563643808.db2.gz SCPKNRNMXADTGU-QGZVFWFLSA-N 1 0 396.329 2.717 20 0 GFADRO COc1ccc([C@H](C)NC(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)cc1Br ZINC000333882474 563644604 /nfs/dbraw/zinc/64/46/04/563644604.db2.gz DXGLQCQBGQDDCF-IACUBPJLSA-N 1 0 382.302 2.770 20 0 GFADRO Cc1nc(S(=O)(=O)N(CC[NH+](C)C)Cc2ccc(F)c(F)c2)sc1C ZINC000435214098 563645129 /nfs/dbraw/zinc/64/51/29/563645129.db2.gz AREAAPXIZLVCEG-UHFFFAOYSA-N 1 0 389.493 2.791 20 0 GFADRO COC(=O)[C@@H]1CSCC[N@@H+]([C@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2)C1 ZINC000412074209 563646504 /nfs/dbraw/zinc/64/65/04/563646504.db2.gz LKGXOLJCBRPMAV-GUTXKFCHSA-N 1 0 384.929 2.744 20 0 GFADRO O=C(c1cc(=O)[nH]c2ccc(Br)cc21)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000435246831 563646579 /nfs/dbraw/zinc/64/65/79/563646579.db2.gz IVIINBILRVGSTR-GFCCVEGCSA-N 1 0 376.254 2.669 20 0 GFADRO C[C@@H]1[C@H](CO)CCC[N@@H+]1C[C@H](O)COc1ccc(Cl)cc1Br ZINC000412077189 563647054 /nfs/dbraw/zinc/64/70/54/563647054.db2.gz JSLWMTWSAZEBAR-DYEKYZERSA-N 1 0 392.721 2.935 20 0 GFADRO Cn1ccnc1CN(Cc1cncc(Br)c1)[C@H]1CC12CC[NH2+]CC2 ZINC000435423525 563649781 /nfs/dbraw/zinc/64/97/81/563649781.db2.gz URGWRDDBUNSCSX-INIZCTEOSA-N 1 0 390.329 2.722 20 0 GFADRO CNc1cc(I)ccc1C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000412177419 563649844 /nfs/dbraw/zinc/64/98/44/563649844.db2.gz BBCXKLNIVSSWCE-ZUZCIYMTSA-N 1 0 399.276 2.545 20 0 GFADRO O=C(CCn1cc(Cl)cn1)N(Cc1nccs1)[C@H]1CC12CC[NH2+]CC2 ZINC000435573136 563653812 /nfs/dbraw/zinc/65/38/12/563653812.db2.gz DZYBSNHUENSXKE-AWEZNQCLSA-N 1 0 379.917 2.554 20 0 GFADRO CN(C(=O)C1CCN(C(=O)c2ccc(Cl)s2)CC1)[C@H]1CCC[NH2+]CC1 ZINC000435749150 563657515 /nfs/dbraw/zinc/65/75/15/563657515.db2.gz IBMFDKDSPBOSRD-AWEZNQCLSA-N 1 0 383.945 2.854 20 0 GFADRO C[C@H](NC(=O)[C@@]12CCC[C@@H]1C[NH2+]C2)c1cc2c(cc1Br)OCCO2 ZINC000435890091 563660235 /nfs/dbraw/zinc/66/02/35/563660235.db2.gz XLUGVLLBDGHJQU-VNBZBWLYSA-N 1 0 395.297 2.787 20 0 GFADRO CC(C)(C)[C@@H]([NH2+]Cc1ccc(I)c(Cl)c1)C(N)=O ZINC000436107485 563664300 /nfs/dbraw/zinc/66/43/00/563664300.db2.gz RKEPDCKFFBTKAF-NSHDSACASA-N 1 0 380.657 2.934 20 0 GFADRO Cc1ccc(S(=O)(=O)NCC[NH2+]Cc2c[nH]nc2-c2ccsc2)cc1 ZINC000436244903 563668541 /nfs/dbraw/zinc/66/85/41/563668541.db2.gz SMIZRUBJUGHPMT-UHFFFAOYSA-N 1 0 376.507 2.515 20 0 GFADRO CC[C@H](Cc1ccccc1Br)C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000289175385 563670784 /nfs/dbraw/zinc/67/07/84/563670784.db2.gz HWJBMLYTJKFIER-NVXWUHKLSA-N 1 0 394.357 2.524 20 0 GFADRO CCOc1cc(C[N@H+](C)CCC(N)=O)cc(Br)c1OC(F)F ZINC000289207594 563671620 /nfs/dbraw/zinc/67/16/20/563671620.db2.gz BTUJECLDORCLBG-UHFFFAOYSA-N 1 0 381.217 2.756 20 0 GFADRO c1ccc(C[N@H+]2CC[C@H](Sc3nnc(NC[C@@H]4CCCO4)s3)C2)cc1 ZINC000412993408 563678884 /nfs/dbraw/zinc/67/88/84/563678884.db2.gz XWELNFLATMOERQ-HOTGVXAUSA-N 1 0 376.551 3.496 20 0 GFADRO Nc1ncccc1C[NH+]1CCC(C(=O)Nc2ccc(Br)cn2)CC1 ZINC000289584603 563679474 /nfs/dbraw/zinc/67/94/74/563679474.db2.gz HOXUVOUXPLNFFO-UHFFFAOYSA-N 1 0 390.285 2.672 20 0 GFADRO C[C@H](NC(=O)C(=O)N(C)Cc1ccc(Cl)c(Cl)c1)C1=CC[N@H+](C)CC1 ZINC000289611848 563680785 /nfs/dbraw/zinc/68/07/85/563680785.db2.gz LELBPPUXCAKTSF-LBPRGKRZSA-N 1 0 384.307 2.718 20 0 GFADRO O=C(CCOc1ccc(Cl)cc1Br)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000289668621 563682637 /nfs/dbraw/zinc/68/26/37/563682637.db2.gz JACHCIPRSSOTIT-RYUDHWBXSA-N 1 0 387.705 2.939 20 0 GFADRO CC[NH+](CC)CCCCNC(=O)c1cc(I)ccc1O ZINC000436944931 563685745 /nfs/dbraw/zinc/68/57/45/563685745.db2.gz CZLKADVWDTUIHD-UHFFFAOYSA-N 1 0 390.265 2.849 20 0 GFADRO COc1cc(C[NH2+]CC[S@](=O)C(C)(C)C)cc(OC)c1OCC(F)F ZINC000289795967 563687016 /nfs/dbraw/zinc/68/70/16/563687016.db2.gz QWYNUROBHZVAFY-VWLOTQADSA-N 1 0 379.469 2.985 20 0 GFADRO COc1ccc(C[C@](C)(O)C[NH2+]Cc2cncc(Br)c2)cc1OC ZINC000289823427 563687973 /nfs/dbraw/zinc/68/79/73/563687973.db2.gz NSHNWVXKEPXGAE-SFHVURJKSA-N 1 0 395.297 2.945 20 0 GFADRO C[N@@H+]1C[C@H](NC(=O)c2cc(Br)ccc2O)[C@@H](c2ccccc2)C1 ZINC000437001270 563688467 /nfs/dbraw/zinc/68/84/67/563688467.db2.gz CJKSERQHNCPHAE-CVEARBPZSA-N 1 0 375.266 2.982 20 0 GFADRO COc1ccc([C@H]([NH2+]CCCn2cc(CO)nn2)C(C)C)c(Br)c1 ZINC000289995607 563694589 /nfs/dbraw/zinc/69/45/89/563694589.db2.gz YTGVWPOKPZZQIF-QGZVFWFLSA-N 1 0 397.317 2.919 20 0 GFADRO COC(=O)[C@@H]1CN(C(=O)N[C@@H]2CCCc3sc(Cl)cc32)CC[N@H+](C)C1 ZINC000413557583 563697325 /nfs/dbraw/zinc/69/73/25/563697325.db2.gz SBNBXXXRASXXHR-WCQYABFASA-N 1 0 385.917 2.525 20 0 GFADRO NC(=O)c1ccccc1N1CC[C@H]([NH2+]Cc2cc(O)ccc2Br)C1 ZINC000361292202 563698409 /nfs/dbraw/zinc/69/84/09/563698409.db2.gz AAKWJGPALMDFAL-ZDUSSCGKSA-N 1 0 390.281 2.622 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)C(=O)NCC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000361351354 563698670 /nfs/dbraw/zinc/69/86/70/563698670.db2.gz FBAUMBRWWRHDQN-LQDVMPOASA-N 1 0 394.313 2.685 20 0 GFADRO Cc1cc(CS(=O)(=O)NC[C@@H]2CC[N@@H+](C)[C@H]2c2cccc(Cl)c2)no1 ZINC000361367540 563699410 /nfs/dbraw/zinc/69/94/10/563699410.db2.gz XGFOCZOBVHWIFM-YOEHRIQHSA-N 1 0 383.901 2.749 20 0 GFADRO CC[C@H]1[NH2+]CC[C@@H]1C(=O)NC1CCN(Cc2ccc(Br)cc2)CC1 ZINC000290142750 563699524 /nfs/dbraw/zinc/69/95/24/563699524.db2.gz MPDXNBKSFKDQSK-ZWKOTPCHSA-N 1 0 394.357 2.918 20 0 GFADRO C[C@H](NC(=O)CN1CCC[C@@H](C(=O)Nc2nccs2)C1)c1cccs1 ZINC000361538893 563699931 /nfs/dbraw/zinc/69/99/31/563699931.db2.gz PYWRQZQLLUOOQH-QWHCGFSZSA-N 1 0 378.523 2.733 20 0 GFADRO O=C(CCc1cc(Br)cs1)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000361701473 563701382 /nfs/dbraw/zinc/70/13/82/563701382.db2.gz PYTNYNDLNGERDQ-CABCVRRESA-N 1 0 387.343 2.501 20 0 GFADRO [NH3+][C@@H]1CC[C@H](C(=O)N2CCC[C@H]2C(=O)Nc2ccc(Br)cc2)C1 ZINC000361968715 563702337 /nfs/dbraw/zinc/70/23/37/563702337.db2.gz PAXCZOHJPCZGOO-LNSITVRQSA-N 1 0 380.286 2.506 20 0 GFADRO Cc1c(Br)cccc1C(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000362065378 563703344 /nfs/dbraw/zinc/70/33/44/563703344.db2.gz KOCDQKGVQHWFEY-RDTXWAMCSA-N 1 0 394.357 2.856 20 0 GFADRO CC(C)[N@H+](C)C[C@@H](C)NC(=O)C(=O)Nc1c(F)cc(Br)cc1F ZINC000290323938 563705409 /nfs/dbraw/zinc/70/54/09/563705409.db2.gz LHNNKJCOFRIXLF-SECBINFHSA-N 1 0 392.244 2.511 20 0 GFADRO O=C(N[C@@H](CO)C[NH+]1CCCCC1)c1cc2c(ccc(F)c2Br)[nH]1 ZINC000413795253 563705896 /nfs/dbraw/zinc/70/58/96/563705896.db2.gz DZGNHJQINABRTH-LLVKDONJSA-N 1 0 398.276 2.646 20 0 GFADRO O=C(N[C@H](CO)C[NH+]1CCCCC1)c1cc2c(Br)cccc2cn1 ZINC000413796314 563706026 /nfs/dbraw/zinc/70/60/26/563706026.db2.gz GOMHNAFTWHCKJS-AWEZNQCLSA-N 1 0 392.297 2.574 20 0 GFADRO Cn1ccnc1-c1cccc(CNC(=O)c2c[nH]c(=O)c(Br)c2)c1 ZINC000362468576 563706838 /nfs/dbraw/zinc/70/68/38/563706838.db2.gz ARWFOIIOUAGVKM-UHFFFAOYSA-N 1 0 387.237 2.880 20 0 GFADRO COc1cc(Br)c(C[NH2+][C@@H]2CCc3nc(C)ncc3C2)cc1O ZINC000362951247 563710980 /nfs/dbraw/zinc/71/09/80/563710980.db2.gz DSGTUHXQRDSHPF-CYBMUJFWSA-N 1 0 378.270 2.909 20 0 GFADRO CCC[N@@H+]1CC[C@H](CNC(=O)N2CCC(n3cc(Br)cn3)CC2)C1 ZINC000362989954 563712001 /nfs/dbraw/zinc/71/20/01/563712001.db2.gz QRAOCJKUEQDAHP-CQSZACIVSA-N 1 0 398.349 2.724 20 0 GFADRO C[NH+]1CCN(CCNC(=O)c2sc3ccccc3c2Br)CC1 ZINC000290586099 563714868 /nfs/dbraw/zinc/71/48/68/563714868.db2.gz AVUSPBSUHMZSPU-UHFFFAOYSA-N 1 0 382.327 2.641 20 0 GFADRO O=C(NC[C@]1(N2CCOCC2)CCSC1)[C@@H]1C[C@@H]1c1cccc(Cl)c1 ZINC000363136962 563715212 /nfs/dbraw/zinc/71/52/12/563715212.db2.gz QFIOLMNKAPRGGI-ZHALLVOQSA-N 1 0 380.941 2.768 20 0 GFADRO CC[NH+](CC)CC[C@H](CO)NC(=O)Nc1ccc(Br)cc1F ZINC000439025307 563716294 /nfs/dbraw/zinc/71/62/94/563716294.db2.gz HZADVTAHVRWPHE-GFCCVEGCSA-N 1 0 376.270 2.803 20 0 GFADRO C[C@@H]([NH2+][C@@H]1CCC(=O)N(C)[C@H]1c1ccnn1C)c1ccc(Br)nc1 ZINC000290659945 563717090 /nfs/dbraw/zinc/71/70/90/563717090.db2.gz KPDGKVFYYVGYHP-CJBNDPTMSA-N 1 0 392.301 2.590 20 0 GFADRO C[C@H]1C[C@H](NC(=O)Nc2ccc(F)cc2I)CC[NH2+]1 ZINC000415255052 563764328 /nfs/dbraw/zinc/76/43/28/563764328.db2.gz UNGCAMQDCIAHGI-WCBMZHEXSA-N 1 0 377.201 2.692 20 0 GFADRO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+][C@@H]1COc2ccc(F)cc2C1 ZINC000414133845 563720173 /nfs/dbraw/zinc/72/01/73/563720173.db2.gz DCHLHSMYWXZPOP-NHYWBVRUSA-N 1 0 381.245 2.732 20 0 GFADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@@H](C)c1ccc(NC(N)=O)cc1 ZINC000414127416 563720316 /nfs/dbraw/zinc/72/03/16/563720316.db2.gz SGIUIDZMGFPMBB-NEPJUHHUSA-N 1 0 393.285 2.841 20 0 GFADRO O=S(=O)(c1ccc(F)c(Br)c1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000439242037 563720862 /nfs/dbraw/zinc/72/08/62/563720862.db2.gz YMAHHLYLZIBEFN-GFCCVEGCSA-N 1 0 391.306 2.837 20 0 GFADRO C[N@H+](C[C@H](O)COc1cc(F)cc(Br)c1)[C@H]1CC[C@H](O)CC1 ZINC000439273164 563721679 /nfs/dbraw/zinc/72/16/79/563721679.db2.gz MTCKDTZPLPGMHC-KKUMJFAQSA-N 1 0 376.266 2.563 20 0 GFADRO CC[C@@]1(CO)CCC[N@@H+]1CC(=O)N(C)CCOc1ccc(Br)cc1 ZINC000439290831 563722071 /nfs/dbraw/zinc/72/20/71/563722071.db2.gz CKFPHWYTIJMXRJ-SFHVURJKSA-N 1 0 399.329 2.523 20 0 GFADRO CC1(C)CC[C@H]([NH2+]C[C@@H](O)Cn2ccnn2)c2cc(Br)ccc21 ZINC000414200037 563722433 /nfs/dbraw/zinc/72/24/33/563722433.db2.gz XFKBXDOWNAIKBQ-CJNGLKHVSA-N 1 0 379.302 2.804 20 0 GFADRO O=C(/C=C/c1ccc(Cl)s1)NC1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000363440509 563722586 /nfs/dbraw/zinc/72/25/86/563722586.db2.gz ZSMOAAQUVNCUOW-GQCTYLIASA-N 1 0 381.929 2.618 20 0 GFADRO Cc1ncc(S(=O)(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)s1 ZINC000363445907 563722873 /nfs/dbraw/zinc/72/28/73/563722873.db2.gz DEQOBPMZBYKCHP-RHSMWYFYSA-N 1 0 379.551 2.983 20 0 GFADRO C[C@H]([NH2+][C@@H]1CS[C@H](C)C1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000414224417 563723382 /nfs/dbraw/zinc/72/33/82/563723382.db2.gz HUCCCLPHHUAWMY-YWVKMMECSA-N 1 0 379.345 2.641 20 0 GFADRO COCC1CC[NH+](C[C@H](O)COc2cc(F)cc(Br)c2)CC1 ZINC000439429231 563723569 /nfs/dbraw/zinc/72/35/69/563723569.db2.gz HSXHECMWOIVCJE-HNNXBMFYSA-N 1 0 376.266 2.686 20 0 GFADRO O[C@H](COc1cc(F)cc(Br)c1)C[NH+]1CCC(c2c[nH]cn2)CC1 ZINC000439428431 563723783 /nfs/dbraw/zinc/72/37/83/563723783.db2.gz FZILYYFBLNNZEX-HNNXBMFYSA-N 1 0 398.276 2.931 20 0 GFADRO C[C@@H]([NH2+]C[C@H]1C[C@@H](C)O[C@@H]1C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000414261783 563723789 /nfs/dbraw/zinc/72/37/89/563723789.db2.gz OELQPMZISRPRAX-PRULPYPASA-N 1 0 391.331 2.561 20 0 GFADRO CC(C)C[C@H](CO)[N@H+](C)C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000439427776 563723967 /nfs/dbraw/zinc/72/39/67/563723967.db2.gz BECRNSBKLTWHJY-HUUCEWRRSA-N 1 0 378.282 2.667 20 0 GFADRO O[C@H](COc1cc(F)cc(Br)c1)C[N@@H+]1CCOCC2(CCC2)C1 ZINC000439434095 563724730 /nfs/dbraw/zinc/72/47/30/563724730.db2.gz AXGOZOLKVHUDAK-HNNXBMFYSA-N 1 0 388.277 2.830 20 0 GFADRO CC[C@]1(CO)CCC[N@H+](C[C@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000439437972 563724968 /nfs/dbraw/zinc/72/49/68/563724968.db2.gz CCBWHDDNSYMMAU-RDJZCZTQSA-N 1 0 390.293 2.812 20 0 GFADRO C[NH+]1CCN(Cc2cccc(NCc3ccc(S(C)(=O)=O)s3)c2)CC1 ZINC000414305438 563725435 /nfs/dbraw/zinc/72/54/35/563725435.db2.gz NIWBKCFXLQNJFI-UHFFFAOYSA-N 1 0 379.551 2.511 20 0 GFADRO COCC[N@H+](CC(C)C)C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000439443312 563725562 /nfs/dbraw/zinc/72/55/62/563725562.db2.gz AGVPOOFORNXWDL-OAHLLOKOSA-N 1 0 378.282 2.932 20 0 GFADRO CC[C@@H]1CO[C@@H](C)C[N@@H+]1C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000439460173 563726304 /nfs/dbraw/zinc/72/63/04/563726304.db2.gz WZRLTTODDUWFEW-GLQYFDAESA-N 1 0 376.266 2.827 20 0 GFADRO COc1ccc(O[C@@H](C)C[NH2+]Cc2ccc(S(N)(=O)=O)c(Cl)c2)cc1 ZINC000414356578 563728945 /nfs/dbraw/zinc/72/89/45/563728945.db2.gz FIGLTKOBMVKIRT-LBPRGKRZSA-N 1 0 384.885 2.553 20 0 GFADRO O=C(c1cc(Br)ccc1F)N1CCC[N@@H+](C2CCOCC2)CC1 ZINC000363656849 563729372 /nfs/dbraw/zinc/72/93/72/563729372.db2.gz QLIURURJPVHPNZ-UHFFFAOYSA-N 1 0 385.277 2.915 20 0 GFADRO Cc1cn2c(n1)CN(C(=O)Nc1cccc(I)c1)CC2 ZINC000363712207 563730873 /nfs/dbraw/zinc/73/08/73/563730873.db2.gz OCWNBTAQMUKQAM-UHFFFAOYSA-N 1 0 382.205 2.844 20 0 GFADRO O=C(N[C@@H]1CCCC[C@H]1N1CCOCC1)c1cc(F)c(Cl)nc1Cl ZINC000363761694 563732351 /nfs/dbraw/zinc/73/23/51/563732351.db2.gz FMMWEFCGAOGTAB-CHWSQXEVSA-N 1 0 376.259 2.901 20 0 GFADRO C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000363941252 563737482 /nfs/dbraw/zinc/73/74/82/563737482.db2.gz RAXUDTPOYZXZLL-RWMBFGLXSA-N 1 0 384.307 2.855 20 0 GFADRO CS(=O)(=O)c1ccc(C[NH2+]C[C@@H](CO)Cc2cc(F)c(F)c(F)c2)s1 ZINC000414439894 563737472 /nfs/dbraw/zinc/73/74/72/563737472.db2.gz UBSSEHKDFADESE-NSHDSACASA-N 1 0 393.452 2.510 20 0 GFADRO CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)c3c(F)cccc3Br)C2)CC1 ZINC000363936971 563737626 /nfs/dbraw/zinc/73/76/26/563737626.db2.gz MQYXCKYLWWMQOM-CQSZACIVSA-N 1 0 398.320 2.829 20 0 GFADRO COC(=O)c1cc(Br)cc(C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)c1 ZINC000291303409 563738198 /nfs/dbraw/zinc/73/81/98/563738198.db2.gz IJRMKTRNYHQQMH-MLGOLLRUSA-N 1 0 395.297 2.792 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N(C)CCC[NH+]2CCCC2)cc1Br ZINC000440287498 563739465 /nfs/dbraw/zinc/73/94/65/563739465.db2.gz ZMFBKWPLOOUXPO-UHFFFAOYSA-N 1 0 396.329 2.949 20 0 GFADRO C[N@@H+]1C[C@@H](NS(=O)(=O)Cc2ccc(F)c(Cl)c2)[C@@H](c2ccccc2)C1 ZINC000414454916 563740275 /nfs/dbraw/zinc/74/02/75/563740275.db2.gz BLXOJBULVIEHBZ-CRAIPNDOSA-N 1 0 382.888 2.996 20 0 GFADRO COCCCN(C(=O)COc1ccc(Br)cc1)C1CC[NH+](C)CC1 ZINC000291354485 563740363 /nfs/dbraw/zinc/74/03/63/563740363.db2.gz YCYOVHJYQXMITC-UHFFFAOYSA-N 1 0 399.329 2.787 20 0 GFADRO CCOc1cc(CN2CC[NH+](C[C@H]3CCOC3)CC2)cc(Br)c1O ZINC000291397190 563741744 /nfs/dbraw/zinc/74/17/44/563741744.db2.gz DJEUSNYWUIZEPF-CQSZACIVSA-N 1 0 399.329 2.708 20 0 GFADRO Cc1cc(Br)cc(C)c1S(=O)(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000440450728 563742146 /nfs/dbraw/zinc/74/21/46/563742146.db2.gz YXWAXNKCIFFWPJ-OLZOCXBDSA-N 1 0 375.332 2.814 20 0 GFADRO Cc1cccc(Cl)c1S(=O)(=O)N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000414468485 563742751 /nfs/dbraw/zinc/74/27/51/563742751.db2.gz YSTJGDGTSQOBFF-INIZCTEOSA-N 1 0 386.945 2.914 20 0 GFADRO CC(C)N(Cc1cccc(Br)c1)C(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC000364215601 563745815 /nfs/dbraw/zinc/74/58/15/563745815.db2.gz PLZKJQNZKCCHHN-UHFFFAOYSA-N 1 0 377.286 2.869 20 0 GFADRO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@@H](CO)[C@H]1CCCOC1 ZINC000414551165 563745955 /nfs/dbraw/zinc/74/59/55/563745955.db2.gz JRBPYEFPXLRCMB-WWGRRREGSA-N 1 0 385.302 2.543 20 0 GFADRO CCS(=O)(=O)CCC[NH2+]Cc1cc(Cl)ccc1OC[C@H]1CCCO1 ZINC000414538368 563746239 /nfs/dbraw/zinc/74/62/39/563746239.db2.gz BJMLWDUUVRJKIY-MRXNPFEDSA-N 1 0 375.918 2.812 20 0 GFADRO CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1([NH3+])C(=O)NC[C@H](O)c1ccc(Cl)cc1Cl ZINC000364221737 563746879 /nfs/dbraw/zinc/74/68/79/563746879.db2.gz PQUARVZWTLWDRA-CTNYNGJSSA-N 1 0 387.307 2.676 20 0 GFADRO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@H](CO)[C@@H]1CCCOC1 ZINC000414569765 563747044 /nfs/dbraw/zinc/74/70/44/563747044.db2.gz ZTHBWYYLQPSBQR-XJKCOSOUSA-N 1 0 385.302 2.543 20 0 GFADRO [NH3+][C@H]1CCC[C@@]12CCN(C(=O)c1cnn(-c3ccc(Br)cc3)c1)C2 ZINC000364257380 563747682 /nfs/dbraw/zinc/74/76/82/563747682.db2.gz MRGRLJQAJWQKKO-WMZOPIPTSA-N 1 0 389.297 2.978 20 0 GFADRO CC(C)[C@@H]([NH3+])CNS(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCCCO1 ZINC000440735676 563748703 /nfs/dbraw/zinc/74/87/03/563748703.db2.gz OQSHNZXWRFASJE-GJZGRUSLSA-N 1 0 390.933 2.550 20 0 GFADRO COCCCOc1ccc(Cl)cc1S(=O)(=O)NCC1([NH3+])CCCCC1 ZINC000440743716 563749690 /nfs/dbraw/zinc/74/96/90/563749690.db2.gz YQQOWDQJYVDSHH-UHFFFAOYSA-N 1 0 390.933 2.695 20 0 GFADRO CCC(CC)(C[NH3+])NS(=O)(=O)c1cc(Cl)ccc1O[C@@H](C)COC ZINC000440753539 563749741 /nfs/dbraw/zinc/74/97/41/563749741.db2.gz ZQGMHLVPWWUUQY-LBPRGKRZSA-N 1 0 378.922 2.550 20 0 GFADRO Cc1nc(-c2ccc(S(=O)(=O)N3CC[C@@]4(CC[N@@H+](C)C4)C3)s2)cs1 ZINC000291615521 563749949 /nfs/dbraw/zinc/74/99/49/563749949.db2.gz BRAOROAULOAELO-MRXNPFEDSA-N 1 0 383.564 2.896 20 0 GFADRO CCN(Cc1ccc(Cl)s1)C(=O)C(=O)Nc1ccc(OCC[NH3+])cc1 ZINC000414717586 563751119 /nfs/dbraw/zinc/75/11/19/563751119.db2.gz PVQICYXYJARCLW-UHFFFAOYSA-N 1 0 381.885 2.726 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H]2CN(S(=O)(=O)c3ccc(Cl)cc3Br)C[C@@H]21 ZINC000440838799 563751784 /nfs/dbraw/zinc/75/17/84/563751784.db2.gz VZJMKFPDOHOWRO-SUZMYJTESA-N 1 0 393.734 2.850 20 0 GFADRO C[NH2+]CCC1CCN(S(=O)(=O)c2cc(F)ccc2Br)CC1 ZINC000440848996 563752266 /nfs/dbraw/zinc/75/22/66/563752266.db2.gz QFJOHOCSFJMKTB-UHFFFAOYSA-N 1 0 379.295 2.598 20 0 GFADRO C[C@@H]1CN(C(=O)Nc2ccc(I)cc2Cl)C[C@H]1[NH3+] ZINC000414790449 563752614 /nfs/dbraw/zinc/75/26/14/563752614.db2.gz GPTCXTSYLAVCAP-GMSGAONNSA-N 1 0 379.629 2.756 20 0 GFADRO C[NH2+][C@@H]1CCN(C(=O)Nc2ccc(I)cc2Cl)C1 ZINC000414788344 563752709 /nfs/dbraw/zinc/75/27/09/563752709.db2.gz DKQTVXISUGNYFZ-SECBINFHSA-N 1 0 379.629 2.770 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000414877482 563753504 /nfs/dbraw/zinc/75/35/04/563753504.db2.gz FZGFHIGZJQEMBC-HNNXBMFYSA-N 1 0 381.318 2.577 20 0 GFADRO CCN(CC)C(=O)c1ccc(NC(=O)N[C@H](CC[NH3+])C(F)F)cc1Cl ZINC000414809929 563753688 /nfs/dbraw/zinc/75/36/88/563753688.db2.gz UWFGEIGQLWOPLG-CYBMUJFWSA-N 1 0 376.835 2.926 20 0 GFADRO CCOc1c(Br)cc(CNC[C@]2(COC)CCC[NH2+]2)cc1OC ZINC000414946837 563755326 /nfs/dbraw/zinc/75/53/26/563755326.db2.gz TYHXOPVELAOCQI-KRWDZBQOSA-N 1 0 387.318 2.715 20 0 GFADRO FC(F)(F)[C@H](CNCc1csc(-c2ccsc2)n1)N1CC[NH2+]CC1 ZINC000414983933 563756044 /nfs/dbraw/zinc/75/60/44/563756044.db2.gz LVCVRNHTXGOSLQ-ZDUSSCGKSA-N 1 0 376.473 2.797 20 0 GFADRO COc1cc(Br)c(NC(=O)N[C@H](CC[NH3+])C(F)F)cc1OC ZINC000414990344 563756173 /nfs/dbraw/zinc/75/61/73/563756173.db2.gz IOGZHUIBLLSOMJ-MRVPVSSYSA-N 1 0 382.205 2.570 20 0 GFADRO Cn1ncc(Br)c1CNC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000414992743 563756205 /nfs/dbraw/zinc/75/62/05/563756205.db2.gz CALHSQUVVKUTEF-DZGCQCFKSA-N 1 0 381.293 2.805 20 0 GFADRO COc1cc(CN[C@H]2CCCC[NH2+]C2)cc(I)c1OC ZINC000415067937 563758090 /nfs/dbraw/zinc/75/80/90/563758090.db2.gz LSBFSFWOPAWOOT-LBPRGKRZSA-N 1 0 390.265 2.540 20 0 GFADRO C[C@H](NC(=O)C(=O)Nc1ccc2c(c1)C[NH2+]C2)c1ccc(Br)s1 ZINC000415081225 563758495 /nfs/dbraw/zinc/75/84/95/563758495.db2.gz KCXNJKQLPJLABJ-VIFPVBQESA-N 1 0 394.294 2.930 20 0 GFADRO O=C(NC[C@H]1CCC[NH2+]C1)Nc1cc(F)c(I)c(F)c1 ZINC000415122148 563759496 /nfs/dbraw/zinc/75/94/96/563759496.db2.gz NMOWEBNNNIPKHF-QMMMGPOBSA-N 1 0 395.191 2.691 20 0 GFADRO O=C1N[C@@H]2CN(Cc3cc(Cl)ccc3Cl)CC[C@H]2N1C1CC[NH2+]CC1 ZINC000415135259 563760444 /nfs/dbraw/zinc/76/04/44/563760444.db2.gz FUPCVZGXAZESHX-IAGOWNOFSA-N 1 0 383.323 2.714 20 0 GFADRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)Nc1cc(F)c(I)c(F)c1 ZINC000415125143 563760515 /nfs/dbraw/zinc/76/05/15/563760515.db2.gz RWBGIZMANMINFV-SFYZADRCSA-N 1 0 395.191 2.770 20 0 GFADRO CC[C@@H]([NH3+])CNC(=O)Nc1cc(Br)cnc1OCC(F)(F)F ZINC000415167642 563761830 /nfs/dbraw/zinc/76/18/30/563761830.db2.gz GZFPLOFCAHCVIT-MRVPVSSYSA-N 1 0 385.184 2.644 20 0 GFADRO C[NH+](C)CC(=O)N1CCC[C@@H]1c1nc(-c2cccc(Br)c2)no1 ZINC000364728620 563762332 /nfs/dbraw/zinc/76/23/32/563762332.db2.gz KSNFKOOHTGRPIE-CYBMUJFWSA-N 1 0 379.258 2.724 20 0 GFADRO C[C@@]1(C[NH3+])CCN(C(=O)Nc2cc(F)c(F)cc2I)C1 ZINC000415243979 563763669 /nfs/dbraw/zinc/76/36/69/563763669.db2.gz WTTNOOJLIPQQET-ZDUSSCGKSA-N 1 0 395.191 2.772 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)Nc2ccc(F)cc2I)C1 ZINC000415248017 563763768 /nfs/dbraw/zinc/76/37/68/563763768.db2.gz FXHKUKPXGLMVGF-DTWKUNHWSA-N 1 0 377.201 2.631 20 0 GFADRO C[NH2+]C[C@@H]1CCN(C(=O)Nc2ccc(F)cc2I)C1 ZINC000415249511 563763783 /nfs/dbraw/zinc/76/37/83/563763783.db2.gz JMJCFWBFKOHUET-VIFPVBQESA-N 1 0 377.201 2.504 20 0 GFADRO Cn1cc(Br)cc(NC(=O)N(CCC[NH3+])Cc2ccccc2)c1=O ZINC000415251518 563763993 /nfs/dbraw/zinc/76/39/93/563763993.db2.gz IXLSTIPXXIOZAN-UHFFFAOYSA-N 1 0 393.285 2.531 20 0 GFADRO C[C@H]1CN(C(=O)Nc2ccc(F)cc2I)CC[C@@H]1[NH3+] ZINC000415252758 563764255 /nfs/dbraw/zinc/76/42/55/563764255.db2.gz OWSFMVMYAWPPOE-KWQFWETISA-N 1 0 377.201 2.631 20 0 GFADRO CCc1ccccc1[C@@H]([NH3+])CNC(=O)Nc1cc(Br)cn(C)c1=O ZINC000415265109 563764609 /nfs/dbraw/zinc/76/46/09/563764609.db2.gz PJYCDVQRKLJHQQ-AWEZNQCLSA-N 1 0 393.285 2.532 20 0 GFADRO Cc1csc(Sc2ccc(NC(=O)C(=O)NCCC[NH3+])cc2Cl)n1 ZINC000415289306 563765370 /nfs/dbraw/zinc/76/53/70/563765370.db2.gz BTHITINWOVZBHP-UHFFFAOYSA-N 1 0 384.914 2.660 20 0 GFADRO [NH3+]C[C@@H](NC(=O)Nc1ccc(Cl)cc1I)C1CC1 ZINC000415279488 563765556 /nfs/dbraw/zinc/76/55/56/563765556.db2.gz CZTSNYBPVZCNNC-LLVKDONJSA-N 1 0 379.629 2.803 20 0 GFADRO Cc1cc(F)c(Br)cc1NC(=O)C(=O)NCC1([NH3+])CCCCC1 ZINC000415280797 563765696 /nfs/dbraw/zinc/76/56/96/563765696.db2.gz MJTHUUKEOSDEFK-UHFFFAOYSA-N 1 0 386.265 2.613 20 0 GFADRO O=C(Nc1cc(Br)ccc1N1CCCC1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000415299517 563766197 /nfs/dbraw/zinc/76/61/97/563766197.db2.gz MWMJWVHZOWBYTG-WBMJQRKESA-N 1 0 379.302 2.875 20 0 GFADRO O=C(Nc1ccc(C(F)(F)F)cc1Cl)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000441972724 563766451 /nfs/dbraw/zinc/76/64/51/563766451.db2.gz OCZXCKZZRJKYFT-SNVBAGLBSA-N 1 0 375.778 2.650 20 0 GFADRO O=C(NCCNc1cccc(Br)c1)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000364846519 563766508 /nfs/dbraw/zinc/76/65/08/563766508.db2.gz IIDHJULMDLEKNR-CVEARBPZSA-N 1 0 381.318 2.787 20 0 GFADRO Cc1csc(Sc2ccc(NC(=O)C(=O)N[C@H]3CC[NH2+]C3)cc2Cl)n1 ZINC000415338741 563768009 /nfs/dbraw/zinc/76/80/09/563768009.db2.gz ZSSYJPUNQJTVOU-NSHDSACASA-N 1 0 396.925 2.673 20 0 GFADRO C[C@H](NC(=O)C(=O)Nc1cc(Cl)cc(C(F)(F)F)c1)[C@H]1CCC[NH2+]C1 ZINC000415344043 563768238 /nfs/dbraw/zinc/76/82/38/563768238.db2.gz CNNRCHJVPQMFFV-UWVGGRQHSA-N 1 0 377.794 2.802 20 0 GFADRO COC(=O)c1cc(Br)ccc1NC(=O)N[C@@H]1CC[NH2+]CC1(C)C ZINC000415338305 563768258 /nfs/dbraw/zinc/76/82/58/563768258.db2.gz WFOXKZFPVDTGNA-CYBMUJFWSA-N 1 0 384.274 2.745 20 0 GFADRO COC(=O)c1cc(Br)ccc1NC(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000415338891 563768288 /nfs/dbraw/zinc/76/82/88/563768288.db2.gz XIQCBPQQNQDORB-QLJPJBMISA-N 1 0 384.274 2.684 20 0 GFADRO CCOC(=O)c1cc(Br)ccc1NC(=O)N1CC[C@@H](C[NH2+]C)C1 ZINC000415344416 563768756 /nfs/dbraw/zinc/76/87/56/563768756.db2.gz DPDVHWVMTZISSF-NSHDSACASA-N 1 0 384.274 2.699 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N[C@H](C)[C@@H]2CCC[NH2+]C2)c(Br)c1 ZINC000415346035 563768834 /nfs/dbraw/zinc/76/88/34/563768834.db2.gz BFGGAYBVOYOLFI-CHWSQXEVSA-N 1 0 382.302 2.509 20 0 GFADRO CCOC(=O)c1c(NC(=O)N[C@@](C)(C[NH3+])C2CC2)sc2c1CCSC2 ZINC000415346256 563768877 /nfs/dbraw/zinc/76/88/77/563768877.db2.gz ZWMDWZDKISUCTN-KRWDZBQOSA-N 1 0 383.539 2.963 20 0 GFADRO C[C@H]1CN(C(=O)Nc2cnn(-c3ccccc3Br)c2)[C@@H](C)C[NH2+]1 ZINC000415351394 563769363 /nfs/dbraw/zinc/76/93/63/563769363.db2.gz HUSSEASNSFLMHH-RYUDHWBXSA-N 1 0 378.274 2.849 20 0 GFADRO NC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1CCC(=O)Nc1ccc(Br)cc1F ZINC000364951567 563769457 /nfs/dbraw/zinc/76/94/57/563769457.db2.gz HKGWMSNMMHURBR-IETSOEAISA-N 1 0 398.276 2.503 20 0 GFADRO CC1(NC(=O)Nc2cnn(-c3ccccc3Br)c2)CC[NH2+]CC1 ZINC000415353547 563769508 /nfs/dbraw/zinc/76/95/08/563769508.db2.gz MPYMXXUBBVWTRU-UHFFFAOYSA-N 1 0 378.274 2.898 20 0 GFADRO CCOC(=O)c1cc(Br)ccc1NC(=O)N1C[C@@H](C)[NH2+]C[C@H]1C ZINC000415353440 563769545 /nfs/dbraw/zinc/76/95/45/563769545.db2.gz QSODRPSZMXEOAZ-GHMZBOCLSA-N 1 0 384.274 2.840 20 0 GFADRO CCOC(=O)c1cc(Br)ccc1NC(=O)N1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000415357620 563770115 /nfs/dbraw/zinc/77/01/15/563770115.db2.gz WOHOQBXRWCPZSB-MNOVXSKESA-N 1 0 384.274 2.827 20 0 GFADRO O=C(Nc1cccc(F)c1I)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000415359469 563770577 /nfs/dbraw/zinc/77/05/77/563770577.db2.gz KPWKSBVVPQHLSS-NXEZZACHSA-N 1 0 389.212 2.504 20 0 GFADRO CN1C(=O)C[C@H](C(=O)NC[C@H]2CC[N@H+](C)C2)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000364992678 563771380 /nfs/dbraw/zinc/77/13/80/563771380.db2.gz IWDQJBXDXXZVBB-ZUCKAHLUSA-N 1 0 384.307 2.581 20 0 GFADRO Cc1cc(NC(=O)C(=O)N2CCC([C@@H](C)[NH3+])CC2)cc(C)c1Br ZINC000415382664 563771423 /nfs/dbraw/zinc/77/14/23/563771423.db2.gz KSOKKORSNPZVDB-GFCCVEGCSA-N 1 0 382.302 2.590 20 0 GFADRO CC[NH2+]CCNC(=O)C(=O)Nc1ccc(Sc2nc(C)cs2)cc1C ZINC000415368074 563771445 /nfs/dbraw/zinc/77/14/45/563771445.db2.gz MCBXXOLLDOTYDB-UHFFFAOYSA-N 1 0 378.523 2.575 20 0 GFADRO CCCN(C(=O)C(=O)Nc1nc(-c2ccc(C)s2)cs1)[C@H]1CC[NH2+]C1 ZINC000415388589 563772108 /nfs/dbraw/zinc/77/21/08/563772108.db2.gz FECGEGABMQGOCA-LBPRGKRZSA-N 1 0 378.523 2.719 20 0 GFADRO Cc1cc(F)c(NC(=O)N[C@H]2CCC[C@@H]2C[NH3+])c(I)c1 ZINC000415385489 563772125 /nfs/dbraw/zinc/77/21/25/563772125.db2.gz FCXYTURABCMOHP-SKDRFNHKSA-N 1 0 391.228 2.988 20 0 GFADRO Cc1nc2cc(Cl)c(NC(=O)C(=O)NCC[C@@H]3CCC[NH2+]C3)cc2s1 ZINC000415400144 563772499 /nfs/dbraw/zinc/77/24/99/563772499.db2.gz FKFKFCWUKJLYFB-NSHDSACASA-N 1 0 380.901 2.703 20 0 GFADRO Cc1cc(F)c(NC(=O)N2C[C@H](C[NH3+])C[C@H]2C)c(I)c1 ZINC000415396695 563772782 /nfs/dbraw/zinc/77/27/82/563772782.db2.gz UTFJYRDACDCMQP-ZJUUUORDSA-N 1 0 391.228 2.940 20 0 GFADRO COCCOc1c(Cl)cc(NC(=O)N2CCCO[C@@H](C[NH3+])C2)cc1Cl ZINC000415404597 563773073 /nfs/dbraw/zinc/77/30/73/563773073.db2.gz LSPFGRNEIMTANT-LBPRGKRZSA-N 1 0 392.283 2.600 20 0 GFADRO C[N@@H+]1CC[C@@]2(CCN(S(=O)(=O)c3c(Cl)cccc3Br)C2)C1 ZINC000292102961 563773663 /nfs/dbraw/zinc/77/36/63/563773663.db2.gz UODYJFKDZXPPPD-CQSZACIVSA-N 1 0 393.734 2.819 20 0 GFADRO COC(=O)c1cc(NC(=O)N2CCCC[C@H]2[C@@H](C)[NH3+])ccc1Br ZINC000415409413 563773664 /nfs/dbraw/zinc/77/36/64/563773664.db2.gz STLIYBBBPVFVSD-YGRLFVJLSA-N 1 0 384.274 2.969 20 0 GFADRO O=C(NCC[C@H]1CC[NH2+]C1)C(=O)Nc1cccc(Cl)c1SCC(F)F ZINC000415409607 563773700 /nfs/dbraw/zinc/77/37/00/563773700.db2.gz TZONBOWCVRQBDZ-SNVBAGLBSA-N 1 0 391.871 2.752 20 0 GFADRO C[NH2+]C[C@H]1CCN(C(=O)Nc2cc(C)n(-c3ccc(Cl)c(Cl)c3)n2)C1 ZINC000415426070 563774996 /nfs/dbraw/zinc/77/49/96/563774996.db2.gz LHYLVXYTKKHMNS-GFCCVEGCSA-N 1 0 382.295 3.561 20 0 GFADRO COCCOc1ccc(Br)cc1NC(=O)N1CCCC[C@H]1C[NH3+] ZINC000415425290 563775056 /nfs/dbraw/zinc/77/50/56/563775056.db2.gz KMILASMXSXOYKZ-ZDUSSCGKSA-N 1 0 386.290 2.819 20 0 GFADRO C[N@@H+]1CC[C@]2(CCN(C(=O)C[C@@H]3Sc4ccc(Cl)cc4NC3=O)C2)C1 ZINC000292132429 563775282 /nfs/dbraw/zinc/77/52/82/563775282.db2.gz HGBIUHJMFRRKAL-YJBOKZPZSA-N 1 0 379.913 2.697 20 0 GFADRO CC(=O)N[C@H](CC(=O)N1CCC[C@@H](CC[NH3+])C1)c1ccc(Br)cc1 ZINC000442607561 563775415 /nfs/dbraw/zinc/77/54/15/563775415.db2.gz SLOQQJIAXMLAMK-WMLDXEAASA-N 1 0 396.329 2.604 20 0 GFADRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2cc(Br)cc(C(=O)OC)c2)C1 ZINC000292150070 563775903 /nfs/dbraw/zinc/77/59/03/563775903.db2.gz PKLYFXWOJYNREA-GFCCVEGCSA-N 1 0 383.286 2.650 20 0 GFADRO C[C@H]1CCCN(C(=O)Nc2ccc(S(C)(=O)=O)c(C(F)F)c2)[C@@H]1C[NH3+] ZINC000415440886 563776211 /nfs/dbraw/zinc/77/62/11/563776211.db2.gz SBLIKYJDYMJPMZ-GXFFZTMASA-N 1 0 375.441 2.619 20 0 GFADRO CS(=O)(=O)Nc1ccc(C(F)(F)F)cc1NC(=O)CC[C@@H]1CCC[NH2+]1 ZINC000292166553 563776674 /nfs/dbraw/zinc/77/66/74/563776674.db2.gz VPKGOOBFHMIVJB-NSHDSACASA-N 1 0 379.404 2.548 20 0 GFADRO C[C@@H](CCCC[NH3+])NC(=O)CCC[S@](=O)c1ccc(Br)cc1 ZINC000292158869 563776740 /nfs/dbraw/zinc/77/67/40/563776740.db2.gz UXOVSMXZUPLXFV-XMHCIUCPSA-N 1 0 389.359 2.971 20 0 GFADRO COC(=O)c1cc(Br)c(F)cc1NC(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000415465765 563776925 /nfs/dbraw/zinc/77/69/25/563776925.db2.gz FTFJVSNMKQBFDJ-HNNXBMFYSA-N 1 0 388.237 2.577 20 0 GFADRO COC(=O)c1cc(Br)c(F)cc1NC(=O)N[C@H]1CC[NH2+]C1(C)C ZINC000415467712 563777648 /nfs/dbraw/zinc/77/76/48/563777648.db2.gz IVUGLGZZIYWHGB-LBPRGKRZSA-N 1 0 388.237 2.637 20 0 GFADRO O=C(NCCC[C@H]1CCC[NH2+]1)Nc1cc(Br)cnc1-n1cccn1 ZINC000415479675 563778156 /nfs/dbraw/zinc/77/81/56/563778156.db2.gz IIWGQGJONKQNTF-CYBMUJFWSA-N 1 0 393.289 2.684 20 0 GFADRO [NH3+][C@@H]1CCC[C@H](CNC(=O)Nc2cc(Br)cnc2-n2cccn2)C1 ZINC000415476311 563778329 /nfs/dbraw/zinc/77/83/29/563778329.db2.gz BNPUAJNARLMPCS-WCQYABFASA-N 1 0 393.289 2.669 20 0 GFADRO CC[NH2+]CC1CCN(C(=O)C(=O)Nc2cc(C)c(Br)c(C)c2)CC1 ZINC000415475840 563778338 /nfs/dbraw/zinc/77/83/38/563778338.db2.gz JKJJGVJLXDNVMS-UHFFFAOYSA-N 1 0 396.329 2.853 20 0 GFADRO COc1cc(C)c(Br)cc1NC(=O)N1CC[C@@H](OC)C[C@H]1C[NH3+] ZINC000415480102 563778457 /nfs/dbraw/zinc/77/84/57/563778457.db2.gz GRJWARCIPAOOTB-NWDGAFQWSA-N 1 0 386.290 2.736 20 0 GFADRO CCNc1ccc(S(=O)(=O)C(F)F)cc1NC(=O)CC[C@H]1CCC[NH2+]1 ZINC000292207004 563778867 /nfs/dbraw/zinc/77/88/67/563778867.db2.gz YQICECHWRORBGR-LLVKDONJSA-N 1 0 375.441 2.585 20 0 GFADRO CCCC[C@H](C[NH3+])NC(=O)C(=O)Nc1cc(Cl)ccc1OC(F)(F)F ZINC000415490342 563779000 /nfs/dbraw/zinc/77/90/00/563779000.db2.gz CFTYVJWRGCNRQL-SNVBAGLBSA-N 1 0 381.782 2.811 20 0 GFADRO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)Nc1cc(Cl)cc(C)c1Br ZINC000415495259 563779449 /nfs/dbraw/zinc/77/94/49/563779449.db2.gz NFSKHVRPSAXRTB-LLVKDONJSA-N 1 0 388.693 2.560 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)Nc3nnc(-c4cccc(Cl)c4)s3)C[C@@H]21 ZINC000415500409 563779647 /nfs/dbraw/zinc/77/96/47/563779647.db2.gz MUMBRPCBVAHCIO-KWCYVHTRSA-N 1 0 377.901 3.450 20 0 GFADRO CCCC[C@@H](C[NH3+])NC(=O)C(=O)Nc1cc(Cl)c(OCC)c(Cl)c1 ZINC000415503042 563779832 /nfs/dbraw/zinc/77/98/32/563779832.db2.gz UIHGGDCREJUVLQ-JTQLQIEISA-N 1 0 376.284 2.964 20 0 GFADRO CCC([NH3+])(CC)CNC(=O)C(=O)Nc1ccc(Br)c(Cl)c1 ZINC000415497351 563779853 /nfs/dbraw/zinc/77/98/53/563779853.db2.gz SMCSUWMMALFNTN-UHFFFAOYSA-N 1 0 376.682 2.675 20 0 GFADRO Cc1ccc(I)cc1NC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000415505695 563780479 /nfs/dbraw/zinc/78/04/79/563780479.db2.gz JNFFVVLAGWRQLN-VXGBXAGGSA-N 1 0 385.249 2.673 20 0 GFADRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000415509914 563780797 /nfs/dbraw/zinc/78/07/97/563780797.db2.gz XTXVYSOLQLDKRR-LBPRGKRZSA-N 1 0 377.819 2.712 20 0 GFADRO CCCN(C(=O)C(=O)Nc1cccc(Br)c1C)C1CC[NH2+]CC1 ZINC000415510476 563780906 /nfs/dbraw/zinc/78/09/06/563780906.db2.gz YUDDKNLDWROPNJ-UHFFFAOYSA-N 1 0 382.302 2.687 20 0 GFADRO CCC[NH2+]CCNC(=O)C(=O)Nc1cc(Br)cc(C(F)(F)F)c1 ZINC000415515304 563780925 /nfs/dbraw/zinc/78/09/25/563780925.db2.gz BPKMGMTWOBUVBF-UHFFFAOYSA-N 1 0 396.207 2.522 20 0 GFADRO C[C@@]1(C[NH3+])CCN(C(=O)Nc2ccnn2Cc2ccccc2Br)C1 ZINC000415522314 563781248 /nfs/dbraw/zinc/78/12/48/563781248.db2.gz NAGFAMMGACNJQC-KRWDZBQOSA-N 1 0 392.301 2.897 20 0 GFADRO COc1cc(C(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)cc(OC)c1Br ZINC000292285294 563781292 /nfs/dbraw/zinc/78/12/92/563781292.db2.gz LVVMVZPKAOAZMM-QGZVFWFLSA-N 1 0 383.286 2.634 20 0 GFADRO CCC[NH2+]CCNC(=O)C(=O)Nc1cccc(Cl)c1SCC(F)F ZINC000415519721 563781406 /nfs/dbraw/zinc/78/14/06/563781406.db2.gz PUQBCUIHVDGPLE-UHFFFAOYSA-N 1 0 379.860 2.752 20 0 GFADRO CCC[NH2+]CCNC(=O)Nc1ccnn1Cc1ccccc1Br ZINC000415525259 563781816 /nfs/dbraw/zinc/78/18/16/563781816.db2.gz WBJTZMIUCGRESX-UHFFFAOYSA-N 1 0 380.290 2.815 20 0 GFADRO COC[C@@H]([NH2+]CCNS(=O)(=O)c1ccc(Cl)cc1F)C1CCCC1 ZINC000442868432 563782101 /nfs/dbraw/zinc/78/21/01/563782101.db2.gz NUGXPWHMYRWOQQ-OAHLLOKOSA-N 1 0 378.897 2.552 20 0 GFADRO COc1cc(OC)c(NC(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)cc1Br ZINC000415532175 563783085 /nfs/dbraw/zinc/78/30/85/563783085.db2.gz XRRIIADILMWJCA-MNOVXSKESA-N 1 0 384.274 2.825 20 0 GFADRO C[C@H]([NH3+])[C@H](C)NC(=O)Nc1nc2ccc(I)cc2s1 ZINC000415532729 563783265 /nfs/dbraw/zinc/78/32/65/563783265.db2.gz ZZMKBQSBBWZEMK-BQBZGAKWSA-N 1 0 390.250 2.758 20 0 GFADRO Cc1cc(Cl)cc(NC(=O)C(=O)N2C[C@H](C[NH3+])C[C@@H]2C)c1Br ZINC000415538709 563784048 /nfs/dbraw/zinc/78/40/48/563784048.db2.gz ISVHLXKJRBGFED-UWVGGRQHSA-N 1 0 388.693 2.545 20 0 GFADRO C[N@@H+]1CC[C@]2(CCN(C(=O)c3ccc(F)c(I)c3)C2)C1 ZINC000292395743 563785107 /nfs/dbraw/zinc/78/51/07/563785107.db2.gz YKCWHQGRIMUNLK-HNNXBMFYSA-N 1 0 388.224 2.598 20 0 GFADRO COc1cc(NC(=O)N[C@@H](C)C[NH3+])c(Br)cc1Br ZINC000415583790 563785545 /nfs/dbraw/zinc/78/55/45/563785545.db2.gz JZUUFYUUBFFBSR-LURJTMIESA-N 1 0 381.068 2.689 20 0 GFADRO Cc1cc(Cl)cc(NC(=O)C(=O)N2CC[C@@H]([C@H](C)[NH3+])C2)c1Br ZINC000415581846 563785613 /nfs/dbraw/zinc/78/56/13/563785613.db2.gz SXZHJCRLBDAYJO-VHSXEESVSA-N 1 0 388.693 2.545 20 0 GFADRO Cc1csc(=O)n1CCC(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000365534996 563786174 /nfs/dbraw/zinc/78/61/74/563786174.db2.gz HFQICBGSUKMKTF-RHSMWYFYSA-N 1 0 379.551 2.869 20 0 GFADRO COC(=O)c1c(C)c(NC(=O)N[C@@H](CC[NH3+])C(F)F)ccc1Br ZINC000415595037 563786313 /nfs/dbraw/zinc/78/63/13/563786313.db2.gz HDZCNFCQINGSOU-JTQLQIEISA-N 1 0 394.216 2.648 20 0 GFADRO COc1cc(NC(=O)N(C)CC[NH3+])c(Br)cc1Br ZINC000415598444 563786409 /nfs/dbraw/zinc/78/64/09/563786409.db2.gz ZPIRNQKBNQYDHV-UHFFFAOYSA-N 1 0 381.068 2.643 20 0 GFADRO COc1ccc(NC(=O)NCC[C@H]2CCC[NH2+]2)c(I)c1 ZINC000415601270 563786996 /nfs/dbraw/zinc/78/69/96/563786996.db2.gz VTPYDKCIUFWPTF-SNVBAGLBSA-N 1 0 389.237 2.563 20 0 GFADRO COC(=O)c1cccc(NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1Br ZINC000415604031 563787554 /nfs/dbraw/zinc/78/75/54/563787554.db2.gz DYVUSBHOGGBWBM-FOSCPWQOSA-N 1 0 396.285 2.982 20 0 GFADRO COC(=O)c1cccc(NC(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)c1Br ZINC000415604576 563787562 /nfs/dbraw/zinc/78/75/62/563787562.db2.gz GDIRXLXOMVKWBC-PHIMTYICSA-N 1 0 382.258 2.594 20 0 GFADRO COC(=O)c1cc(NC(=O)N(C)CC(C)(C)C[NH3+])cc(Br)c1F ZINC000415605650 563787649 /nfs/dbraw/zinc/78/76/49/563787649.db2.gz HRUQYCXWHBTMAX-UHFFFAOYSA-N 1 0 390.253 2.823 20 0 GFADRO C[NH+](C)CC(C)(C)CN(C(=O)c1cncnc1)c1ccc(Br)cn1 ZINC000415605611 563787697 /nfs/dbraw/zinc/78/76/97/563787697.db2.gz HNRKKXOARGKJSX-UHFFFAOYSA-N 1 0 392.301 2.869 20 0 GFADRO CO[C@@H]1CCN(C(=O)Nc2cc3c(cc2Br)CCC3)[C@H](C[NH3+])C1 ZINC000415615480 563788296 /nfs/dbraw/zinc/78/82/96/563788296.db2.gz OKVODWIWPYLANW-UONOGXRCSA-N 1 0 382.302 2.908 20 0 GFADRO COC(=O)c1ccc(Cl)cc1S(=O)(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000443066896 563790437 /nfs/dbraw/zinc/79/04/37/563790437.db2.gz IQHRRSBNWSNROZ-BETUJISGSA-N 1 0 388.917 2.668 20 0 GFADRO COC(=O)c1cc(NC(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)c(C)cc1Br ZINC000415708507 563792562 /nfs/dbraw/zinc/79/25/62/563792562.db2.gz NWSBTWYBUYCPNO-RYUDHWBXSA-N 1 0 396.285 2.617 20 0 GFADRO COC(=O)c1cc(NC(=O)N2CC[C@]3(CC[NH2+]C3)C2)c(C)cc1Br ZINC000415710284 563792640 /nfs/dbraw/zinc/79/26/40/563792640.db2.gz QYDOPIWUUNOFHZ-KRWDZBQOSA-N 1 0 396.285 2.761 20 0 GFADRO O=S1(=O)CC[C@@H]([NH2+]C2CCN(Cc3ccc(Cl)cc3Cl)CC2)C1 ZINC000365781642 563793142 /nfs/dbraw/zinc/79/31/42/563793142.db2.gz QFDHHLPLWRPAQS-OAHLLOKOSA-N 1 0 377.337 2.735 20 0 GFADRO COC(=O)c1cc(NC(=O)N[C@@H]2CC[NH2+]C[C@H]2C)c(C)cc1Br ZINC000415715859 563793279 /nfs/dbraw/zinc/79/32/79/563793279.db2.gz ZJQXQDJKJCKERP-ZWNOBZJWSA-N 1 0 384.274 2.664 20 0 GFADRO COC(=O)c1cc(NC(=O)N[C@H]2CC[NH2+]C[C@@H]2C)c(C)cc1Br ZINC000415715854 563793373 /nfs/dbraw/zinc/79/33/73/563793373.db2.gz ZJQXQDJKJCKERP-GWCFXTLKSA-N 1 0 384.274 2.664 20 0 GFADRO C[NH2+][C@H]1CCCN(C(=O)Nc2cc(C(=O)OC)c(Br)cc2C)C1 ZINC000415713502 563793393 /nfs/dbraw/zinc/79/33/93/563793393.db2.gz WVZNXSOJGTYMMX-NSHDSACASA-N 1 0 384.274 2.760 20 0 GFADRO C[C@@H](CCCC[NH3+])NC(=O)C(=O)Nc1cccc2c(Br)ccnc12 ZINC000415748230 563793773 /nfs/dbraw/zinc/79/37/73/563793773.db2.gz YCHJVQXYZDVVLE-NSHDSACASA-N 1 0 393.285 2.570 20 0 GFADRO CC(C)[C@@](C)(C[NH3+])NC(=O)Nc1ccn(-c2ccc(Br)cc2)n1 ZINC000415756966 563794351 /nfs/dbraw/zinc/79/43/51/563794351.db2.gz MMBBIKDFQJXVHU-MRXNPFEDSA-N 1 0 380.290 3.130 20 0 GFADRO COCC[N@H+](C)CCCNC(=O)N[C@H](C)c1ccc(Br)s1 ZINC000443164084 563794591 /nfs/dbraw/zinc/79/45/91/563794591.db2.gz AIIDCYVHJNZIPX-LLVKDONJSA-N 1 0 378.336 2.839 20 0 GFADRO O=C(NCCCN1CC[NH2+]CC1)Nc1cc(Cl)ccc1OC(F)(F)F ZINC000415763935 563794944 /nfs/dbraw/zinc/79/49/44/563794944.db2.gz YKWDUZRCCWTIOE-UHFFFAOYSA-N 1 0 380.798 2.655 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)C(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000415798882 563797010 /nfs/dbraw/zinc/79/70/10/563797010.db2.gz BOIUPGMAESMJCK-BXUZGUMPSA-N 1 0 382.302 2.584 20 0 GFADRO CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)NCCc3ccc(Cl)s3)C2)CC1 ZINC000366054233 563797730 /nfs/dbraw/zinc/79/77/30/563797730.db2.gz UXXIMAIHKSHNLI-OAHLLOKOSA-N 1 0 384.977 2.754 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H](CNC(=O)C(=O)Nc2cc(Cl)ccc2C(F)(F)F)C1 ZINC000415807502 563797726 /nfs/dbraw/zinc/79/77/26/563797726.db2.gz LCOFAYLTNKEVPE-MWLCHTKSSA-N 1 0 377.794 2.931 20 0 GFADRO COC(=O)c1ccc(OCCN2CC[NH+]([C@@H]3CCSC3)CC2)c(Cl)c1 ZINC000366072339 563798133 /nfs/dbraw/zinc/79/81/33/563798133.db2.gz JHQMUBFTXKJJGD-OAHLLOKOSA-N 1 0 384.929 2.629 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)c(Br)c1 ZINC000415818633 563798114 /nfs/dbraw/zinc/79/81/14/563798114.db2.gz WRHQITCOQPMVNX-QWHCGFSZSA-N 1 0 382.302 2.638 20 0 GFADRO [NH3+]C[C@H](NC(=O)C(=O)Nc1ccc(Cl)cc1Br)C1CCCC1 ZINC000415829091 563798904 /nfs/dbraw/zinc/79/89/04/563798904.db2.gz CCUZWKCDBHNETH-ZDUSSCGKSA-N 1 0 388.693 2.675 20 0 GFADRO Cc1cc(NC(=O)C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc(C)c1Br ZINC000415863867 563799514 /nfs/dbraw/zinc/79/95/14/563799514.db2.gz BMWXYDRGBXINSH-MELADBBJSA-N 1 0 394.313 2.509 20 0 GFADRO [NH3+]CC[C@@H](NC(=O)C(=O)Nc1ccc(Cl)cc1C(F)(F)F)C(F)(F)F ZINC000415850091 563799532 /nfs/dbraw/zinc/79/95/32/563799532.db2.gz ZRBLTFUMXXHGNK-SECBINFHSA-N 1 0 391.699 2.693 20 0 GFADRO CSc1ccc(NC(=O)C(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1Cl ZINC000415855658 563799796 /nfs/dbraw/zinc/79/97/96/563799796.db2.gz OZYOOHCAZOTIJT-CHWSQXEVSA-N 1 0 381.929 2.849 20 0 GFADRO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(C(F)(F)F)cc2Cl)C[C@@]1(C)C[NH3+] ZINC000415861749 563799856 /nfs/dbraw/zinc/79/98/56/563799856.db2.gz JQOJPDYAJGSDCI-RFAUZJTJSA-N 1 0 377.794 2.741 20 0 GFADRO O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)c1cc2ccc(Br)cc2[nH]1 ZINC000366202958 563801013 /nfs/dbraw/zinc/80/10/13/563801013.db2.gz PVDZSPUEZZSCFU-OAHLLOKOSA-N 1 0 392.297 2.914 20 0 GFADRO O=C(NCCCCn1cc(Br)cn1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000366206204 563801134 /nfs/dbraw/zinc/80/11/34/563801134.db2.gz WQRYGVMMVPFGAK-MRXNPFEDSA-N 1 0 398.349 2.696 20 0 GFADRO CC[C@H](C)[C@@H](NC(=O)C[NH2+][C@H](C)c1ccc(Br)s1)C(=O)OC ZINC000443337647 563801873 /nfs/dbraw/zinc/80/18/73/563801873.db2.gz VLRKDEMIRUCKOI-IMSIIYSGSA-N 1 0 391.331 2.865 20 0 GFADRO Cn1cc(CCNC(=O)N[C@@H](CC[NH3+])C(F)(F)F)c2ccc(Cl)cc21 ZINC000416035190 563803167 /nfs/dbraw/zinc/80/31/67/563803167.db2.gz VBBNWKLDBQUIDS-AWEZNQCLSA-N 1 0 376.810 2.953 20 0 GFADRO CC[NH+](CC)Cc1ccc(CNC(=O)c2nn(C)cc2Br)cc1 ZINC000293250448 563805576 /nfs/dbraw/zinc/80/55/76/563805576.db2.gz WRQAHEIYOFKIER-UHFFFAOYSA-N 1 0 379.302 2.954 20 0 GFADRO CSCC[C@H]([NH3+])C(=O)N1CCC([C@@H]2c3ccc(Cl)cc3NC2=O)CC1 ZINC000366360059 563806219 /nfs/dbraw/zinc/80/62/19/563806219.db2.gz NAKHHDKQKWOHFY-GOEBONIOSA-N 1 0 381.929 2.695 20 0 GFADRO O=C(C[NH2+]C1(Cc2ccc(F)cc2Br)CCOCC1)N1CCCC1 ZINC000293490052 563814952 /nfs/dbraw/zinc/81/49/52/563814952.db2.gz GMLYIXKXZNURFQ-UHFFFAOYSA-N 1 0 399.304 2.892 20 0 GFADRO CN1C(=O)C[C@@H](C(=O)NCC2([NH+](C)C)CC2)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000416307816 563814987 /nfs/dbraw/zinc/81/49/87/563814987.db2.gz MUZBGZQQOVWPBG-WBMJQRKESA-N 1 0 384.307 2.723 20 0 GFADRO CN1C(=O)C[C@H](C(=O)NCC2([NH+](C)C)CC2)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000416307812 563815140 /nfs/dbraw/zinc/81/51/40/563815140.db2.gz MUZBGZQQOVWPBG-BLLLJJGKSA-N 1 0 384.307 2.723 20 0 GFADRO COc1cc(OC)c(S(=O)(=O)NC[C@H](C)[N@@H+]2CCCC[C@H]2C)cc1Cl ZINC000416365882 563818366 /nfs/dbraw/zinc/81/83/66/563818366.db2.gz BLEKFWZXIXZXNQ-OLZOCXBDSA-N 1 0 390.933 2.898 20 0 GFADRO COc1cc(OC)c(S(=O)(=O)NCC2([NH+](C)C)CCCC2)cc1Cl ZINC000416371266 563818934 /nfs/dbraw/zinc/81/89/34/563818934.db2.gz LJNIEVSNTVUROK-UHFFFAOYSA-N 1 0 376.906 2.510 20 0 GFADRO CSC[C@H](O)C[NH2+]C1(Cc2ccc(F)cc2Br)CCOCC1 ZINC000293576210 563818948 /nfs/dbraw/zinc/81/89/48/563818948.db2.gz NJALKUBZNFJOBJ-CQSZACIVSA-N 1 0 392.334 2.993 20 0 GFADRO COC(=O)c1c(Cl)cccc1S(=O)(=O)NC[C@@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000416373286 563819404 /nfs/dbraw/zinc/81/94/04/563819404.db2.gz ONZVKEJSVCTEBX-QWHCGFSZSA-N 1 0 388.917 2.668 20 0 GFADRO COc1ccc(CC[NH2+][C@H]2CCC[C@H](S(C)(=O)=O)C2)c(Cl)c1OC ZINC000293606339 563820052 /nfs/dbraw/zinc/82/00/52/563820052.db2.gz JPMSWCUSJVQGTK-KBPBESRZSA-N 1 0 375.918 2.845 20 0 GFADRO COc1nc(NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)ncc1Br ZINC000444088030 563821329 /nfs/dbraw/zinc/82/13/29/563821329.db2.gz UMCLGZDGMYVGNP-HNNXBMFYSA-N 1 0 391.313 3.224 20 0 GFADRO C[N@@H+]1CCC[C@@H]2CN(S(=O)(=O)c3ccc(C(F)(F)F)cc3F)CC[C@@H]21 ZINC000444089840 563821508 /nfs/dbraw/zinc/82/15/08/563821508.db2.gz LSFWQMHTMOCJET-RISCZKNCSA-N 1 0 380.407 2.949 20 0 GFADRO C[C@H](NC(=O)NC[C@H](O)C[NH+]1CCCCC1)c1ccc(Br)s1 ZINC000444105734 563821538 /nfs/dbraw/zinc/82/15/38/563821538.db2.gz PJWVXKWZKPORFD-RYUDHWBXSA-N 1 0 390.347 2.718 20 0 GFADRO CS[C@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2F)C[C@H]1[NH+](C)C ZINC000444213248 563824943 /nfs/dbraw/zinc/82/49/43/563824943.db2.gz NGOLNHRXVXTWFY-NEPJUHHUSA-N 1 0 386.436 2.511 20 0 GFADRO CS[C@@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2F)C[C@H]1[NH+](C)C ZINC000444213251 563825035 /nfs/dbraw/zinc/82/50/35/563825035.db2.gz NGOLNHRXVXTWFY-VXGBXAGGSA-N 1 0 386.436 2.511 20 0 GFADRO COC(=O)[C@@H](c1ccc(Cl)cc1Cl)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000444226457 563825567 /nfs/dbraw/zinc/82/55/67/563825567.db2.gz OVEZHUMNOPXYMA-SUMWQHHRSA-N 1 0 387.307 2.862 20 0 GFADRO C[C@@H](Oc1ccc(F)cc1Br)C(=O)Nc1ccnn1CC[NH+](C)C ZINC000293950371 563828715 /nfs/dbraw/zinc/82/87/15/563828715.db2.gz DJUUQUDJWGCYSB-LLVKDONJSA-N 1 0 399.264 2.752 20 0 GFADRO CCOc1cc(C[NH2+][C@H]2CCS(=O)(=O)[C@H]2C)ccc1OCC(F)(F)F ZINC000293999201 563829206 /nfs/dbraw/zinc/82/92/06/563829206.db2.gz SRSMSCICBPZWFY-AAEUAGOBSA-N 1 0 381.416 2.692 20 0 GFADRO COc1cccc([C@@H]2C[C@@H](O)CN2CC(=O)NCc2ccc(Cl)s2)c1 ZINC000367087493 563830216 /nfs/dbraw/zinc/83/02/16/563830216.db2.gz PZNDJUJOUOTLCG-CJNGLKHVSA-N 1 0 380.897 2.834 20 0 GFADRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2c(Cl)ccnc2Cl)C[C@H]1c1ccccc1 ZINC000367098709 563830639 /nfs/dbraw/zinc/83/06/39/563830639.db2.gz HGORNXHWSYPSDB-OLZOCXBDSA-N 1 0 386.304 2.751 20 0 GFADRO COc1cc(OC)c(S(=O)(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)cc1Cl ZINC000416462000 563832223 /nfs/dbraw/zinc/83/22/23/563832223.db2.gz ZTZNBEJJRKZFNR-GFCCVEGCSA-N 1 0 390.933 2.708 20 0 GFADRO O=C(c1ccncc1I)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000367168286 563833708 /nfs/dbraw/zinc/83/37/08/563833708.db2.gz PEPHTMBRMCVTFS-ZDUSSCGKSA-N 1 0 399.276 2.777 20 0 GFADRO CC[C@H]1CCCC[C@@H]1[N@H+](C)CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl ZINC000444666799 563834395 /nfs/dbraw/zinc/83/43/95/563834395.db2.gz SLWDEYWRSHNJIQ-LRDDRELGSA-N 1 0 387.933 2.827 20 0 GFADRO Cc1ccc(Br)c(NC(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c1 ZINC000367184612 563834606 /nfs/dbraw/zinc/83/46/06/563834606.db2.gz KGEJHDASPJBUSS-HZPDHXFCSA-N 1 0 382.302 2.820 20 0 GFADRO C[N@H+](Cc1ccc(Sc2ccccn2)o1)C1CCN(S(C)(=O)=O)CC1 ZINC000294291135 563837629 /nfs/dbraw/zinc/83/76/29/563837629.db2.gz PMLSKOUTWGILEB-UHFFFAOYSA-N 1 0 381.523 2.682 20 0 GFADRO C[NH+]1CCC(NC(=O)NCc2cnn(-c3ccc(Br)cc3)c2)CC1 ZINC000444886122 563838873 /nfs/dbraw/zinc/83/88/73/563838873.db2.gz DAMLTHYVERKQRJ-UHFFFAOYSA-N 1 0 392.301 2.528 20 0 GFADRO C[C@H](Oc1ccccc1Br)C(=O)Nc1cnc2c(c1)C[NH2+]CC2 ZINC000367366405 563842240 /nfs/dbraw/zinc/84/22/40/563842240.db2.gz ZIKQLBYBXHTWNX-NSHDSACASA-N 1 0 376.254 2.896 20 0 GFADRO C[C@H](Oc1cccc(Br)c1)C(=O)Nc1cnc2c(c1)C[NH2+]CC2 ZINC000367384781 563842818 /nfs/dbraw/zinc/84/28/18/563842818.db2.gz QWOKBADFEVIRBU-NSHDSACASA-N 1 0 376.254 2.896 20 0 GFADRO O=C(c1csc(I)c1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000367408411 563843483 /nfs/dbraw/zinc/84/34/83/563843483.db2.gz SXNPHHAMYCIXEL-CYBMUJFWSA-N 1 0 376.263 2.568 20 0 GFADRO Ic1cccc(C[NH2+]Cc2cccnc2-n2cncn2)c1 ZINC000367406218 563843493 /nfs/dbraw/zinc/84/34/93/563843493.db2.gz VUQVZCMYVHMLOF-UHFFFAOYSA-N 1 0 391.216 2.557 20 0 GFADRO CS(=O)(=O)CC1CCC([NH2+]C[C@@H](O)c2cccc(Br)c2)CC1 ZINC000294483676 563843658 /nfs/dbraw/zinc/84/36/58/563843658.db2.gz XLNUETIUPRZJLP-VDSRIPIWSA-N 1 0 390.343 2.676 20 0 GFADRO C[C@@H]1CN(c2nc(C(Cl)(Cl)Cl)ns2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000367435643 563844049 /nfs/dbraw/zinc/84/40/49/563844049.db2.gz ODILHSXJUJWPBL-GHMZBOCLSA-N 1 0 398.791 2.827 20 0 GFADRO CCOC(=O)c1cc(Cl)cc(S(=O)(=O)NCC[C@@H]2CCC[N@H+](C)C2)c1 ZINC000416563783 563849335 /nfs/dbraw/zinc/84/93/35/563849335.db2.gz YYUKXGOZBSLMFA-ZDUSSCGKSA-N 1 0 388.917 2.527 20 0 GFADRO CC[C@H](Cc1cccc(Br)c1)C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000367595967 563850154 /nfs/dbraw/zinc/85/01/54/563850154.db2.gz OLQQAEVRNXXWAR-SJLPKXTDSA-N 1 0 394.357 2.524 20 0 GFADRO CO[C@@H]1[C@H](C)[C@H]([NH2+]C[C@@H]2CCN(S(=O)(=O)c3cccs3)C2)C12CCC2 ZINC000367615460 563850576 /nfs/dbraw/zinc/85/05/76/563850576.db2.gz KSXCHKOBMJSIKR-YQFWSFKMSA-N 1 0 384.567 2.552 20 0 GFADRO Cc1ccncc1CCC[NH2+]C[C@@H]1CCN(S(=O)(=O)c2cccs2)C1 ZINC000367684085 563852317 /nfs/dbraw/zinc/85/23/17/563852317.db2.gz GYAQHZVFLZFTLR-INIZCTEOSA-N 1 0 379.551 2.685 20 0 GFADRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1Cc1ncc(I)s1 ZINC000367681293 563852396 /nfs/dbraw/zinc/85/23/96/563852396.db2.gz DDBAXTURQQNADU-MNOVXSKESA-N 1 0 377.295 2.806 20 0 GFADRO CCCOc1ccc(S(=O)(=O)N2C[C@@H](SC)[C@@H]([NH+]3CCCC3)C2)cc1 ZINC000445715774 563852591 /nfs/dbraw/zinc/85/25/91/563852591.db2.gz IQTNWNUHAAFXJK-ZWKOTPCHSA-N 1 0 384.567 2.676 20 0 GFADRO COc1c(C)cc(S(=O)(=O)N2C[C@@H]([NH+]3CCCC3)[C@@H](SC)C2)cc1C ZINC000445711542 563852637 /nfs/dbraw/zinc/85/26/37/563852637.db2.gz IPGRCBFYGXGSQM-SJORKVTESA-N 1 0 384.567 2.512 20 0 GFADRO CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC(Cn2cc(Br)cn2)CC1 ZINC000367810188 563855938 /nfs/dbraw/zinc/85/59/38/563855938.db2.gz NPWNXKSCKVGFHG-INIZCTEOSA-N 1 0 383.334 2.759 20 0 GFADRO C[C@@H]1COCCN1CCNC(=O)CCC(=O)c1cc(Cl)sc1Cl ZINC000446189777 563860269 /nfs/dbraw/zinc/86/02/69/563860269.db2.gz XAMLBJYOHVFZFE-SNVBAGLBSA-N 1 0 379.309 2.855 20 0 GFADRO C[C@@H](NC(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1)c1ccc(Cl)cc1Cl ZINC000416823375 563861705 /nfs/dbraw/zinc/86/17/05/563861705.db2.gz YGKYQBRAXSDQPT-NEPJUHHUSA-N 1 0 387.311 2.551 20 0 GFADRO C[C@@H](NC(=O)N1CCN([C@H]2CC[NH2+]C2)CC1)c1cc(F)c(Cl)cc1Cl ZINC000416828466 563861793 /nfs/dbraw/zinc/86/17/93/563861793.db2.gz DWQJDXXBGWLWID-NEPJUHHUSA-N 1 0 389.302 2.883 20 0 GFADRO C[NH+](C)CCN(Cc1ccco1)C(=O)C(=O)c1ccc(Br)cc1 ZINC000446438121 563863863 /nfs/dbraw/zinc/86/38/63/563863863.db2.gz GNQHUGSLZKYWDB-UHFFFAOYSA-N 1 0 379.254 2.815 20 0 GFADRO C[C@H](C(F)(F)F)S(=O)(=O)N1C[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000368098508 563863946 /nfs/dbraw/zinc/86/39/46/563863946.db2.gz JXDANPJHRJJGAI-FVQBIDKESA-N 1 0 376.444 2.721 20 0 GFADRO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)[C@H]1CCN(c2cc(Cl)ccc2Cl)C1=O ZINC000368115664 563864382 /nfs/dbraw/zinc/86/43/82/563864382.db2.gz PGPYDNBNUBOQCG-AVGNSLFASA-N 1 0 388.270 2.505 20 0 GFADRO Cc1ccc(S(=O)(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)c(Br)c1 ZINC000368127114 563864526 /nfs/dbraw/zinc/86/45/26/563864526.db2.gz VWHDXWAKOSGXIY-AWEZNQCLSA-N 1 0 387.343 2.768 20 0 GFADRO CN(C)S(=O)(=O)n1ccnc1C[NH2+][C@@H]1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000368226053 563866781 /nfs/dbraw/zinc/86/67/81/563866781.db2.gz JRXWIOXKRSXHKR-HZPDHXFCSA-N 1 0 382.917 2.617 20 0 GFADRO O=C(c1cc(=O)[nH]c2c(Br)cccc12)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000368387589 563870099 /nfs/dbraw/zinc/87/00/99/563870099.db2.gz KGDNAPWHKAQZOU-YGRLFVJLSA-N 1 0 376.254 2.527 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)[C@H]1CCCN(c2ccc(Br)cn2)C1 ZINC000368451533 563871113 /nfs/dbraw/zinc/87/11/13/563871113.db2.gz SJHYRUQJXTVEGW-OFQRWUPVSA-N 1 0 395.345 2.789 20 0 GFADRO CC[NH2+][C@H](C)CNC(=O)N[C@H](C)c1cc2c(cc1Br)OCCO2 ZINC000417188257 563871803 /nfs/dbraw/zinc/87/18/03/563871803.db2.gz XFYAKRFDHNEYCE-GHMZBOCLSA-N 1 0 386.290 2.579 20 0 GFADRO O=C1[C@@H](N2CC[NH+]([C@H]3CCSC3)CC2)CCN1c1ccc(F)c(Cl)c1 ZINC000368469479 563871862 /nfs/dbraw/zinc/87/18/62/563871862.db2.gz ZXIFZMRIFJQJNO-YOEHRIQHSA-N 1 0 383.920 2.708 20 0 GFADRO CC[C@H]1Cc2c(Br)cccc2CN1C(=O)CN1CC[NH+](CC)CC1 ZINC000447069458 563874007 /nfs/dbraw/zinc/87/40/07/563874007.db2.gz VVDNVKLHPRULQB-INIZCTEOSA-N 1 0 394.357 2.750 20 0 GFADRO COCC[C@@]1([NH2+]Cc2cnn(-c3ccc(Br)cc3)c2)CCOC1 ZINC000447081613 563874128 /nfs/dbraw/zinc/87/41/28/563874128.db2.gz HKCKHLQZICOXNK-QGZVFWFLSA-N 1 0 380.286 2.920 20 0 GFADRO [NH3+]C1(CNC(=O)NCCC(=O)Nc2ccc(Br)cc2)CCCCC1 ZINC000417227480 563874617 /nfs/dbraw/zinc/87/46/17/563874617.db2.gz PZPDGXNXRDIPPX-UHFFFAOYSA-N 1 0 397.317 2.739 20 0 GFADRO C[C@]1(C[NH3+])CCN(C(=O)NC[C@@H]2CCN(c3cccc(Br)c3)C2)C1 ZINC000417260907 563875193 /nfs/dbraw/zinc/87/51/93/563875193.db2.gz JWZWDNPYUXUFDJ-KBXCAEBGSA-N 1 0 395.345 2.656 20 0 GFADRO [NH3+]C[C@@H]1CC[C@H](NC(=O)NC[C@@H]2CCN(c3cccc(Br)c3)C2)C1 ZINC000417257810 563875233 /nfs/dbraw/zinc/87/52/33/563875233.db2.gz DFPYFONNFZEOLO-YCPHGPKFSA-N 1 0 395.345 2.702 20 0 GFADRO C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)NC[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000417265919 563875772 /nfs/dbraw/zinc/87/57/72/563875772.db2.gz VUECTBMBMPZJNQ-RRFJBIMHSA-N 1 0 395.345 2.667 20 0 GFADRO C[NH2+][C@@H]1CCCN(C(=O)NC[C@@H]2CCN(c3cccc(Br)c3)C2)C1 ZINC000417265078 563875776 /nfs/dbraw/zinc/87/57/76/563875776.db2.gz UAZBAUYMPSZYRS-GOEBONIOSA-N 1 0 395.345 2.669 20 0 GFADRO C[C@H](CC[NH+](C)C)NC(=O)Nc1nnc(COc2ccc(Cl)cc2)s1 ZINC000417278401 563876238 /nfs/dbraw/zinc/87/62/38/563876238.db2.gz IZZIMVBGXCAOPA-LLVKDONJSA-N 1 0 383.905 3.232 20 0 GFADRO Cn1nncc1CN(Cc1ccccc1Br)C1CC[NH+](C)CC1 ZINC000368667216 563876546 /nfs/dbraw/zinc/87/65/46/563876546.db2.gz QJRFKPQDCNWPDM-UHFFFAOYSA-N 1 0 378.318 2.674 20 0 GFADRO CO[C@@H]1CCN(C(=O)N[C@@H](C)Cc2cccc(Br)c2)[C@@H](C[NH3+])C1 ZINC000417288556 563876850 /nfs/dbraw/zinc/87/68/50/563876850.db2.gz RVQDPTSSVLJORZ-APHBMKBZSA-N 1 0 384.318 2.528 20 0 GFADRO [NH3+]C[C@H](NS(=O)(=O)c1cc(Br)sc1Cl)C1CCCC1 ZINC000447247006 563877965 /nfs/dbraw/zinc/87/79/65/563877965.db2.gz QRJMYYUGGWDKKO-QMMMGPOBSA-N 1 0 387.752 2.960 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H]2CN(S(=O)(=O)c3cc(Br)ccc3Cl)C[C@H]21 ZINC000447253219 563878445 /nfs/dbraw/zinc/87/84/45/563878445.db2.gz WXLPEIKDGLEBQZ-IRUJWGPZSA-N 1 0 393.734 2.850 20 0 GFADRO [NH3+]CCCOC1CCN(C(=O)NCCc2ccccc2Br)CC1 ZINC000417353225 563878525 /nfs/dbraw/zinc/87/85/25/563878525.db2.gz IGVAUVFGSCLASM-UHFFFAOYSA-N 1 0 384.318 2.531 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)N[C@H]1CC[NH2+][C@@H](C)C1 ZINC000417364597 563878804 /nfs/dbraw/zinc/87/88/04/563878804.db2.gz HQHOMFCJSKDFLE-JSGCOSHPSA-N 1 0 397.317 2.526 20 0 GFADRO Cc1ccc(NC(=O)CC[NH2+][C@@H](CO)c2cccc(Br)c2)nc1 ZINC000447293851 563879000 /nfs/dbraw/zinc/87/90/00/563879000.db2.gz CMPAZONZBNLXAV-HNNXBMFYSA-N 1 0 378.270 2.804 20 0 GFADRO [NH3+][C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)CCC[S@@](=O)c1ccc(Br)cc1 ZINC000368808879 563879561 /nfs/dbraw/zinc/87/95/61/563879561.db2.gz CSUJYLXDQRWCNE-RQHSMIJDSA-N 1 0 399.354 2.818 20 0 GFADRO [NH3+][C@@H]1CCCN(C(=O)NCc2cc(Br)ccc2OC(F)F)C1 ZINC000417414333 563879856 /nfs/dbraw/zinc/87/98/56/563879856.db2.gz WNGJHNCQUWIMFD-LLVKDONJSA-N 1 0 378.217 2.683 20 0 GFADRO O=C(N[C@@H]1CCN(c2ccc(Br)cc2)C1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000417485416 563881081 /nfs/dbraw/zinc/88/10/81/563881081.db2.gz WNBYGZYOBAKCPP-OWCLPIDISA-N 1 0 393.329 2.564 20 0 GFADRO C[C@@H](CNC(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1)c1c(Cl)cccc1Cl ZINC000417490973 563881167 /nfs/dbraw/zinc/88/11/67/563881167.db2.gz SGKSQIILVVPHFU-UONOGXRCSA-N 1 0 385.339 2.786 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)Cc1ccc(F)cc1Br ZINC000368886329 563881206 /nfs/dbraw/zinc/88/12/06/563881206.db2.gz BJNUWJPANZCHLN-OIISXLGYSA-N 1 0 399.304 2.841 20 0 GFADRO Cc1ncsc1CN(C[C@H]1CC[NH2+]C1)C(=O)c1ccc(Br)cn1 ZINC000447443839 563881480 /nfs/dbraw/zinc/88/14/80/563881480.db2.gz WWLARGUUQSKGGQ-LBPRGKRZSA-N 1 0 395.326 2.861 20 0 GFADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)NC1(c2c(Cl)cccc2Cl)CCC1 ZINC000447774561 563885966 /nfs/dbraw/zinc/88/59/66/563885966.db2.gz CDNICCXKJLUUID-CYBMUJFWSA-N 1 0 385.339 2.918 20 0 GFADRO O=C(N[C@@H]1CCN(c2ccccc2Br)C1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000417600831 563886112 /nfs/dbraw/zinc/88/61/12/563886112.db2.gz KGMBCBSDFZUSAS-QLFBSQMISA-N 1 0 393.329 2.564 20 0 GFADRO CCCN(C(=O)N[C@H]1CCN(c2ccccc2Br)C1)[C@@H]1CC[NH2+]C1 ZINC000417605923 563886228 /nfs/dbraw/zinc/88/62/28/563886228.db2.gz ZKIPABAWJLGAKU-LSDHHAIUSA-N 1 0 395.345 2.811 20 0 GFADRO O=C(NCC1(c2cccc(Br)c2)CC1)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000417653335 563886847 /nfs/dbraw/zinc/88/68/47/563886847.db2.gz AWBYXCPCOUUWKM-ZIAGYGMSSA-N 1 0 378.314 2.732 20 0 GFADRO Cc1nn(C)c(CNC[C@@H]2CCC[N@H+](Cc3cccnc3)C2)c1Br ZINC000369094021 563886955 /nfs/dbraw/zinc/88/69/55/563886955.db2.gz YUMUJFBGSULEFZ-INIZCTEOSA-N 1 0 392.345 2.888 20 0 GFADRO O=S(=O)(c1ccc(OC(F)F)c(F)c1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000447821500 563887124 /nfs/dbraw/zinc/88/71/24/563887124.db2.gz LUQXNWSXKDURFJ-GFCCVEGCSA-N 1 0 378.416 2.676 20 0 GFADRO O=C(N[C@H]1CCc2c1ccc(Cl)c2Cl)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000417712902 563887524 /nfs/dbraw/zinc/88/75/24/563887524.db2.gz XSXGXWFDBNKTMD-LRDDRELGSA-N 1 0 383.323 2.670 20 0 GFADRO CC[C@H](CNC(=O)NC[C@@H]1C[NH2+]CCCO1)Cc1cccc(Br)c1 ZINC000417714787 563887615 /nfs/dbraw/zinc/88/76/15/563887615.db2.gz CPOQPJGWAKOBLR-YOEHRIQHSA-N 1 0 398.345 2.696 20 0 GFADRO CC[C@@H](CNC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)Cc1cccc(Br)c1 ZINC000417728794 563887974 /nfs/dbraw/zinc/88/79/74/563887974.db2.gz SSTZUHSHQVMNMQ-BMFZPTHFSA-N 1 0 380.330 2.879 20 0 GFADRO CCCC[C@H](C[NH3+])NC(=O)NCCOc1ncc(C(F)(F)F)cc1Cl ZINC000417735697 563888019 /nfs/dbraw/zinc/88/80/19/563888019.db2.gz LUBDANLIPDYVNX-LLVKDONJSA-N 1 0 382.814 2.949 20 0 GFADRO C[C@@H](CNC(=O)N[C@H]1C[NH2+]CCC1(F)F)Oc1cccc(Br)c1 ZINC000417786947 563889201 /nfs/dbraw/zinc/88/92/01/563889201.db2.gz FGJIYCLFOYJMFH-GWCFXTLKSA-N 1 0 392.244 2.513 20 0 GFADRO C[C@H](CNC(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1)Oc1ccccc1Br ZINC000417824870 563889893 /nfs/dbraw/zinc/88/98/93/563889893.db2.gz MGTMRNHVOSISKV-MJBXVCDLSA-N 1 0 384.318 2.843 20 0 GFADRO CC(C)COC[C@H](O)C[NH2+]Cc1ccc(F)cc1I ZINC000417878202 563890321 /nfs/dbraw/zinc/89/03/21/563890321.db2.gz QMIFLPKOQJKVJJ-CYBMUJFWSA-N 1 0 381.229 2.553 20 0 GFADRO C[C@@H](NC(=O)N[C@@H](C)CC[NH3+])c1nc(-c2ccc(Br)cc2)no1 ZINC000417884305 563891083 /nfs/dbraw/zinc/89/10/83/563891083.db2.gz FVNFBLSPCLYURJ-VHSXEESVSA-N 1 0 382.262 2.597 20 0 GFADRO CN1CCC([N@@H+]2CC[C@H](NC(=O)COc3ccc(Cl)c(Cl)c3)C2)CC1 ZINC000369275441 563891319 /nfs/dbraw/zinc/89/13/19/563891319.db2.gz XPKFOVBZMNIOJY-ZDUSSCGKSA-N 1 0 386.323 2.657 20 0 GFADRO CN(C)c1ncc(Br)cc1C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000369292381 563891333 /nfs/dbraw/zinc/89/13/33/563891333.db2.gz GVTCSAAZFRFYNA-CQSZACIVSA-N 1 0 381.318 2.611 20 0 GFADRO CN(C)c1ncc(Br)cc1C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000369292379 563891378 /nfs/dbraw/zinc/89/13/78/563891378.db2.gz GVTCSAAZFRFYNA-AWEZNQCLSA-N 1 0 381.318 2.611 20 0 GFADRO O=C(NCCc1cc(Cl)ccc1Br)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000417907779 563891524 /nfs/dbraw/zinc/89/15/24/563891524.db2.gz FLNCGMVNOOMBPK-OLZOCXBDSA-N 1 0 386.721 2.896 20 0 GFADRO C[C@@H](Cc1cc(Br)ccc1F)NC(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000417919554 563891693 /nfs/dbraw/zinc/89/16/93/563891693.db2.gz CTOSAPCPUVNNAW-YVEFUNNKSA-N 1 0 384.293 2.914 20 0 GFADRO C[C@H](Cc1cc(Br)ccc1F)NC(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000417938874 563892055 /nfs/dbraw/zinc/89/20/55/563892055.db2.gz JEKNRCQOCXWQCN-RNCFNFMXSA-N 1 0 394.235 2.816 20 0 GFADRO CN(C(=O)NCCCOc1ncc(C(F)(F)F)cc1Cl)C1CC([NH3+])C1 ZINC000417963515 563892801 /nfs/dbraw/zinc/89/28/01/563892801.db2.gz PMFGPVNLVMRPIQ-UHFFFAOYSA-N 1 0 380.798 2.654 20 0 GFADRO NC(=O)C1CCN(C[C@H]([NH2+]C[C@H]2CCSC2)c2ccc(Cl)cc2)CC1 ZINC000448021022 563892950 /nfs/dbraw/zinc/89/29/50/563892950.db2.gz GHKPYOFXJNFUTK-KDOFPFPSSA-N 1 0 381.973 2.921 20 0 GFADRO CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000417977668 563893360 /nfs/dbraw/zinc/89/33/60/563893360.db2.gz GFAUSVVQACYOCS-APYUEPQZSA-N 1 0 384.318 2.822 20 0 GFADRO CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)N1C[C@@H](C[NH3+])C[C@@H]1C ZINC000417990365 563893419 /nfs/dbraw/zinc/89/34/19/563893419.db2.gz REONFUCQBCEZKC-JFILPPLUSA-N 1 0 384.318 2.904 20 0 GFADRO O=C(NCCSCc1ccc(Cl)cc1Cl)NC[C@@H]1C[NH2+]CCO1 ZINC000417993570 563894145 /nfs/dbraw/zinc/89/41/45/563894145.db2.gz XYEJGDQAXUYRBX-ZDUSSCGKSA-N 1 0 378.325 2.514 20 0 GFADRO O=C(N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000418011881 563894969 /nfs/dbraw/zinc/89/49/69/563894969.db2.gz VKZSPDOILAZJBI-HZSPNIEDSA-N 1 0 383.323 2.823 20 0 GFADRO CCCOC[C@H](Cc1cccc(Br)c1)NC(=O)N1CC[C@H]([NH3+])C1 ZINC000418022209 563895658 /nfs/dbraw/zinc/89/56/58/563895658.db2.gz AMRDIGQETFSKPT-HOTGVXAUSA-N 1 0 384.318 2.529 20 0 GFADRO Cc1cc(Br)cn2cc(CCNC(=O)N[C@H]3CCC[C@H]([NH3+])C3)nc12 ZINC000418021124 563895673 /nfs/dbraw/zinc/89/56/73/563895673.db2.gz OYHZTHLIIDMUGU-KBPBESRZSA-N 1 0 394.317 2.517 20 0 GFADRO CO[C@@H]1CCN(C(=O)NCc2cc3cc(Br)ccc3[nH]2)[C@H](C[NH3+])C1 ZINC000418023603 563895911 /nfs/dbraw/zinc/89/59/11/563895911.db2.gz CDIKERGZTCRSFE-LSDHHAIUSA-N 1 0 395.301 2.578 20 0 GFADRO CCCOC[C@@H](Cc1cccc(Br)c1)NC(=O)NC[C@@H]1CCC[NH2+]1 ZINC000418036526 563896359 /nfs/dbraw/zinc/89/63/59/563896359.db2.gz WHBPBXXDMWLAAZ-DLBZAZTESA-N 1 0 398.345 2.838 20 0 GFADRO CO[C@H]1CCN(C(=O)N[C@H](C)c2ccc(Br)s2)[C@@H](C[NH3+])C1 ZINC000418057744 563896787 /nfs/dbraw/zinc/89/67/87/563896787.db2.gz NJMIGSMUBWQBKN-MXWKQRLJSA-N 1 0 376.320 2.719 20 0 GFADRO O[C@H](CC[NH2+]Cc1ccc(F)cc1I)C(F)(F)F ZINC000418067630 563897528 /nfs/dbraw/zinc/89/75/28/563897528.db2.gz NBSMRNITOHJZPR-SNVBAGLBSA-N 1 0 377.119 2.833 20 0 GFADRO O=C(N[C@H]1CCCN(c2ccc(Cl)cc2Cl)C1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000418079268 563897728 /nfs/dbraw/zinc/89/77/28/563897728.db2.gz KSDMHCYUKUWSSQ-GUTXKFCHSA-N 1 0 383.323 2.823 20 0 GFADRO CO[C@@H]1COCC[C@H]1C[NH2+]Cc1ccc(F)cc1I ZINC000418074151 563897895 /nfs/dbraw/zinc/89/78/95/563897895.db2.gz NDNQNCPJVIAWCG-SMDDNHRTSA-N 1 0 379.213 2.571 20 0 GFADRO O=C(NCCC[NH2+]C1CC1)NCc1cnn(-c2ccc(Br)cc2)c1 ZINC000418088685 563898048 /nfs/dbraw/zinc/89/80/48/563898048.db2.gz KUKQSQZJVWWXTR-UHFFFAOYSA-N 1 0 392.301 2.576 20 0 GFADRO C[C@H](CCCC[NH3+])NC(=O)N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000418081715 563898111 /nfs/dbraw/zinc/89/81/11/563898111.db2.gz ORAJHRCSARDGFH-BXUZGUMPSA-N 1 0 387.311 2.915 20 0 GFADRO [NH3+]CC[C@@H](NC(=O)N[C@@H]1CSc2ccc(Br)cc21)C(F)F ZINC000418105996 563898899 /nfs/dbraw/zinc/89/88/99/563898899.db2.gz WOMGNECSFWWFFJ-NXEZZACHSA-N 1 0 380.258 2.878 20 0 GFADRO CC(C)(C[NH2+]Cc1cc2c(c(Br)c1)OCO2)C1(O)CCOCC1 ZINC000418133986 563900073 /nfs/dbraw/zinc/90/00/73/563900073.db2.gz OELRBMKGVMQPHP-UHFFFAOYSA-N 1 0 386.286 2.835 20 0 GFADRO O=C(NCCCC[NH+]1CCOCC1)c1cc2c(ccc(F)c2Br)[nH]1 ZINC000448715417 563900251 /nfs/dbraw/zinc/90/02/51/563900251.db2.gz SZJADBSKOHRLEU-UHFFFAOYSA-N 1 0 398.276 2.912 20 0 GFADRO COc1cc(Br)ccc1CNC(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000418153076 563900311 /nfs/dbraw/zinc/90/03/11/563900311.db2.gz UQRPDONVPJTBJJ-UHFFFAOYSA-N 1 0 382.302 2.743 20 0 GFADRO [NH3+]CC[C@@H](NC(=O)N[C@@H](c1cncc(Br)c1)C1CC1)C(F)F ZINC000418167981 563900314 /nfs/dbraw/zinc/90/03/14/563900314.db2.gz LPBXPCYDWHDAMC-VXGBXAGGSA-N 1 0 377.233 2.577 20 0 GFADRO CC1(CNC(=O)N[C@@H]2CCOc3c(Br)cccc32)CC[NH2+]CC1 ZINC000418166147 563900340 /nfs/dbraw/zinc/90/03/40/563900340.db2.gz TZZOMWQZYMHSLB-CQSZACIVSA-N 1 0 382.302 2.962 20 0 GFADRO C[C@@H](C[NH3+])NC(=O)NC[C@H](c1ccc(Cl)cc1)N(C)CCC(F)(F)F ZINC000418168896 563900517 /nfs/dbraw/zinc/90/05/17/563900517.db2.gz MMFYRZVJYKYMKQ-SMDDNHRTSA-N 1 0 380.842 2.912 20 0 GFADRO CC[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(I)cc2F)C1 ZINC000448821718 563901633 /nfs/dbraw/zinc/90/16/33/563901633.db2.gz HMBNNXIAHJZJRH-NSHDSACASA-N 1 0 390.240 2.892 20 0 GFADRO COCCN(CC[NH+](C)C)C(=O)c1cc(Cl)c(F)cc1Br ZINC000448908993 563903144 /nfs/dbraw/zinc/90/31/44/563903144.db2.gz HWUDRFPSVUPCRK-UHFFFAOYSA-N 1 0 381.673 2.892 20 0 GFADRO COCCN(CC[NH+](C)C)C(=O)c1cc(Cl)c(Br)cc1F ZINC000448913460 563903161 /nfs/dbraw/zinc/90/31/61/563903161.db2.gz SYSDFKXNAUEYPD-UHFFFAOYSA-N 1 0 381.673 2.892 20 0 GFADRO NS(=O)(=O)C[C@@H]1CCC[N@H+](Cc2cnc(-c3c(F)cccc3F)s2)C1 ZINC000449028411 563905386 /nfs/dbraw/zinc/90/53/86/563905386.db2.gz NZCWVRQBZSPLII-LLVKDONJSA-N 1 0 387.477 2.589 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[N@H+](C)CCSC ZINC000449029855 563905714 /nfs/dbraw/zinc/90/57/14/563905714.db2.gz QAQOORWBGHCFOF-NSHDSACASA-N 1 0 375.332 2.757 20 0 GFADRO CCn1nnc(C)c1C[NH2+]C[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000449096928 563906524 /nfs/dbraw/zinc/90/65/24/563906524.db2.gz KKGKARWRMQEKSW-AWEZNQCLSA-N 1 0 378.318 2.985 20 0 GFADRO CN(C)C(=O)CC[NH+]1CCC(NCc2cc(F)cc(Br)c2)CC1 ZINC000449127306 563906804 /nfs/dbraw/zinc/90/68/04/563906804.db2.gz WCLVYIJDQZHYLF-UHFFFAOYSA-N 1 0 386.309 2.621 20 0 GFADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1CNC[C@H](C)[N@H+](C)C1CC1 ZINC000449134862 563907446 /nfs/dbraw/zinc/90/74/46/563907446.db2.gz LVOCRDXXUIARHU-QWHCGFSZSA-N 1 0 398.345 2.535 20 0 GFADRO NC(=O)[C@@H]1CCC[N@H+](CCCN[C@H]2CCc3c2ccc(F)c3Br)C1 ZINC000449136666 563907525 /nfs/dbraw/zinc/90/75/25/563907525.db2.gz VTOLOEMQKOQPJO-WBMJQRKESA-N 1 0 398.320 2.753 20 0 GFADRO CCNC(=O)N1CC[C@H]([NH2+]Cc2ccnc3c(Br)cccc23)C1 ZINC000449181152 563907954 /nfs/dbraw/zinc/90/79/54/563907954.db2.gz FGBZCSXFJYUBAH-ZDUSSCGKSA-N 1 0 377.286 2.891 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[N@H+](C)[C@@H]1CCCC[C@H]1O ZINC000449261217 564177843 /nfs/dbraw/zinc/17/78/43/564177843.db2.gz ZESNTZDGSLKJNZ-APHBMKBZSA-N 1 0 399.329 2.698 20 0 GFADRO COC(=O)c1nn(-c2ccc(Cl)c(Cl)c2)cc1CN(C)CC[NH+](C)C ZINC000449318352 564180778 /nfs/dbraw/zinc/18/07/78/564180778.db2.gz GFPVGRSINRMCAH-UHFFFAOYSA-N 1 0 385.295 2.959 20 0 GFADRO C[N@H+](CC1CC1)C[C@H]1CCN([C@H](C(N)=O)c2ccc(Br)cc2)C1 ZINC000470958533 564180958 /nfs/dbraw/zinc/18/09/58/564180958.db2.gz KHGYFHKIOONWRE-PBHICJAKSA-N 1 0 380.330 2.639 20 0 GFADRO CN(C)C(=O)CCN1CCC([NH2+][C@H]2CCc3c2cccc3Br)CC1 ZINC000538101500 564182524 /nfs/dbraw/zinc/18/25/24/564182524.db2.gz SQPHXEOHGGRSEF-SFHVURJKSA-N 1 0 394.357 2.969 20 0 GFADRO CC(C)(C)NS(=O)(=O)CC[NH2+][C@H]1CCc2c1cccc2Br ZINC000538117797 564182607 /nfs/dbraw/zinc/18/26/07/564182607.db2.gz WQMAXUSLTHIJMK-AWEZNQCLSA-N 1 0 375.332 2.744 20 0 GFADRO CC(C)C[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)NCC[NH+]1CCC1 ZINC000505430724 564182755 /nfs/dbraw/zinc/18/27/55/564182755.db2.gz HIEAFXTYBCDGRN-MRXNPFEDSA-N 1 0 386.323 2.960 20 0 GFADRO CN(C)c1ncc(CN(C)Cc2cc3c(c(Br)c2)OCO3)cn1 ZINC000505478213 564183753 /nfs/dbraw/zinc/18/37/53/564183753.db2.gz AITYADMYKFHOGY-UHFFFAOYSA-N 1 0 379.258 2.666 20 0 GFADRO O=S1(=O)CC[C@](O)(C[NH2+][C@H]2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000449409686 564184882 /nfs/dbraw/zinc/18/48/82/564184882.db2.gz VFNLWYYQMJCJRM-KCXAZCMYSA-N 1 0 378.321 2.769 20 0 GFADRO C[NH+](C)CCN(C(=O)Cc1csc(NC(=O)c2cccs2)n1)C1CC1 ZINC000505635645 564186389 /nfs/dbraw/zinc/18/63/89/564186389.db2.gz OOZYRRHNVAZVOW-UHFFFAOYSA-N 1 0 378.523 2.552 20 0 GFADRO C[C@@H]([NH2+][C@@H](CCO)c1cccc(C(F)(F)F)c1)C1CCS(=O)(=O)CC1 ZINC000449435588 564186841 /nfs/dbraw/zinc/18/68/41/564186841.db2.gz CPSREIGFUGLMMB-WBMJQRKESA-N 1 0 379.444 2.932 20 0 GFADRO CCCOc1ccc(Br)cc1C[NH2+][C@H](CC)CNS(C)(=O)=O ZINC000449442593 564187075 /nfs/dbraw/zinc/18/70/75/564187075.db2.gz LGYRWZFQDAYPPE-CQSZACIVSA-N 1 0 393.347 2.655 20 0 GFADRO CC[C@H](CNS(C)(=O)=O)[NH2+]C1CC(c2ccc(Br)cc2)C1 ZINC000449441727 564187203 /nfs/dbraw/zinc/18/72/03/564187203.db2.gz HVDFRYQJFITIRT-HNFVBEJKSA-N 1 0 375.332 2.613 20 0 GFADRO CC[C@@H]([NH2+]C[C@@H](O)CN(C)CCOC)c1cc(F)cc(Br)c1 ZINC000563358128 564187347 /nfs/dbraw/zinc/18/73/47/564187347.db2.gz YRELYZVJJAPPNL-HZPDHXFCSA-N 1 0 377.298 2.568 20 0 GFADRO CC(C)C[NH+]1CCN(C(=O)Cc2cccc(I)c2)CC1 ZINC000471178200 564187964 /nfs/dbraw/zinc/18/79/64/564187964.db2.gz VBNIYMBVJJHGER-UHFFFAOYSA-N 1 0 386.277 2.634 20 0 GFADRO C[N@H+]1CC=C(CNC(=O)Nc2cccc(F)c2I)CC1 ZINC000538326191 564188118 /nfs/dbraw/zinc/18/81/18/564188118.db2.gz OBHUKCGOZLOKHX-UHFFFAOYSA-N 1 0 389.212 2.814 20 0 GFADRO COC(=O)C[C@](C)([NH2+]CCCC(=O)N(C)C)c1ccc(Br)cc1 ZINC000563364546 564188414 /nfs/dbraw/zinc/18/84/14/564188414.db2.gz PGSXNSMBQIRADZ-KRWDZBQOSA-N 1 0 385.302 2.685 20 0 GFADRO Cc1ccc(C[C@H](CO)C[NH2+]Cc2cccc(C(N)=O)c2)cc1Br ZINC000449598117 564191181 /nfs/dbraw/zinc/19/11/81/564191181.db2.gz HMQMGHSMJBOHQM-INIZCTEOSA-N 1 0 391.309 2.797 20 0 GFADRO Cc1ccc(C[C@@H](CO)C[NH2+]Cc2c[nH]c3nccnc23)cc1Br ZINC000449601018 564191947 /nfs/dbraw/zinc/19/19/47/564191947.db2.gz QIRXVNZPIOXXEH-CQSZACIVSA-N 1 0 389.297 2.921 20 0 GFADRO [NH3+]C[C@H]1CCCCN1C(=O)Nc1ccc(I)cc1F ZINC000563448861 564192403 /nfs/dbraw/zinc/19/24/03/564192403.db2.gz PXIUGQNUNRPMPU-SNVBAGLBSA-N 1 0 377.201 2.775 20 0 GFADRO Cc1cc(C(=O)N2C[C@@H](C)[NH2+]C[C@H]2C)nn1-c1ccc(Br)cc1 ZINC000505885688 564192657 /nfs/dbraw/zinc/19/26/57/564192657.db2.gz UMKNRNQQJAZCII-DGCLKSJQSA-N 1 0 377.286 2.766 20 0 GFADRO COc1cc(C[NH2+][C@H]2COCC2(C)C)cc(I)c1OC ZINC000449622122 564193364 /nfs/dbraw/zinc/19/33/64/564193364.db2.gz CIHHOMDONGMYGW-ZDUSSCGKSA-N 1 0 391.249 2.823 20 0 GFADRO COc1cc(C[NH2+][C@@H]2COCC2(C)C)cc(I)c1OC ZINC000449622121 564193395 /nfs/dbraw/zinc/19/33/95/564193395.db2.gz CIHHOMDONGMYGW-CYBMUJFWSA-N 1 0 391.249 2.823 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)Cn2cc(Br)cn2)C1 ZINC000505925666 564193644 /nfs/dbraw/zinc/19/36/44/564193644.db2.gz WCOFFADBHGYRFI-HUUCEWRRSA-N 1 0 383.334 2.759 20 0 GFADRO CN(C)C(=O)[C@@H]1CC[C@@H](C[NH2+][C@@H]2CCc3cccc(Br)c3C2)O1 ZINC000563501759 564194363 /nfs/dbraw/zinc/19/43/63/564194363.db2.gz DSQJWMMXVFBTHF-KEYYUXOJSA-N 1 0 381.314 2.532 20 0 GFADRO Cc1nn(C)c(C)c1C[NH2+]C[C@@H](CO)Cc1ccc(F)c(Br)c1 ZINC000449681833 564195258 /nfs/dbraw/zinc/19/52/58/564195258.db2.gz MOMYRSDFXUERJV-AWEZNQCLSA-N 1 0 384.293 2.879 20 0 GFADRO Cc1c(Br)cccc1C[C@H](CO)C[NH2+][C@H]1CN(C2CC2)C[C@@H]1C ZINC000449681210 564195297 /nfs/dbraw/zinc/19/52/97/564195297.db2.gz IMNHLRIRKFBWOL-RFUYNDQBSA-N 1 0 381.358 2.981 20 0 GFADRO Cc1c(Br)cccc1C[C@H](CO)C[NH2+][C@H]1CCC(=O)NC1(C)C ZINC000449679737 564195790 /nfs/dbraw/zinc/19/57/90/564195790.db2.gz FGVHFUPIWRMFRV-BBRMVZONSA-N 1 0 383.330 2.555 20 0 GFADRO CC(C)n1cc(C[NH2+]C[C@H](CO)Cc2ccc(F)c(Br)c2)nn1 ZINC000449682093 564196001 /nfs/dbraw/zinc/19/60/01/564196001.db2.gz KQLCRCVHHWXOPH-CYBMUJFWSA-N 1 0 385.281 2.701 20 0 GFADRO Cc1ccc(CN2CC[NH+]([C@@H]3CCNC(=O)CC3)CC2)c(Br)c1 ZINC000449698283 564196890 /nfs/dbraw/zinc/19/68/90/564196890.db2.gz NARCZLQNUVSGLC-INIZCTEOSA-N 1 0 380.330 2.544 20 0 GFADRO CC(=O)N[C@@H](CC(=O)N[C@@H]1CC[NH2+]CC1(C)C)c1ccc(Br)cc1 ZINC000449699950 564196895 /nfs/dbraw/zinc/19/68/95/564196895.db2.gz RUFQZXUMMDGXOA-JKSUJKDBSA-N 1 0 396.329 2.521 20 0 GFADRO CO[C@@H]1CCN(C(=O)NCc2ccc(-c3csc(C)n3)s2)[C@H](C[NH3+])C1 ZINC000563560725 564197482 /nfs/dbraw/zinc/19/74/82/564197482.db2.gz VXBYQWZWLOHIPT-QWHCGFSZSA-N 1 0 380.539 2.828 20 0 GFADRO O=C(CCCSc1ccc(Br)cc1)NC[C@H]1C[NH2+]CCCO1 ZINC000449711175 564197928 /nfs/dbraw/zinc/19/79/28/564197928.db2.gz NTXNGPIMNLEYEK-CQSZACIVSA-N 1 0 387.343 2.816 20 0 GFADRO CC1(C)C[NH2+]CC[C@@H]1NC(=O)C1CCN(C(=O)c2ccc(Cl)s2)CC1 ZINC000449701484 564198072 /nfs/dbraw/zinc/19/80/72/564198072.db2.gz WUXIYCBQOJRBOE-AWEZNQCLSA-N 1 0 383.945 2.758 20 0 GFADRO [NH3+]CC[C@H](NC(=O)[C@@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1)C(F)(F)F ZINC000449721595 564198578 /nfs/dbraw/zinc/19/85/78/564198578.db2.gz OSJHMHXIQYUNJH-PELKAZGASA-N 1 0 398.212 2.742 20 0 GFADRO Cc1c(C(=O)N[C@@H]2CC[C@H](C[NH3+])C2)cnn1-c1cccc(Br)c1 ZINC000449719705 564198818 /nfs/dbraw/zinc/19/88/18/564198818.db2.gz RJIAYSDSEYVOHK-GXTWGEPZSA-N 1 0 377.286 2.800 20 0 GFADRO [NH3+]C[C@@H]1CC[C@H](NC(=O)c2ccc(Cl)c(I)c2)C1 ZINC000449721606 564198845 /nfs/dbraw/zinc/19/88/45/564198845.db2.gz UHDVMXDVMRRWSF-SCZZXKLOSA-N 1 0 378.641 2.802 20 0 GFADRO [NH3+]CC[C@@H](NC(=O)[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)C(F)(F)F ZINC000449724273 564198889 /nfs/dbraw/zinc/19/88/89/564198889.db2.gz SWLGTXLMHVERCM-BXKDBHETSA-N 1 0 398.212 2.742 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)N[C@@H]1CC[NH2+]C1(C)C ZINC000449749882 564199602 /nfs/dbraw/zinc/19/96/02/564199602.db2.gz HAKPWIYDXRABKW-CZUORRHYSA-N 1 0 384.567 2.608 20 0 GFADRO COCC[N@@H+]1CC[C@@H](NC(=O)N(C)[C@H](C)c2ccccc2Br)C1 ZINC000506318113 564201001 /nfs/dbraw/zinc/20/10/01/564201001.db2.gz PKVRKWZWGPIGFB-ZIAGYGMSSA-N 1 0 384.318 2.872 20 0 GFADRO C[C@H](CN(C)C(=O)NCCOCC[NH+](C)C)Oc1ccc(Cl)c(Cl)c1 ZINC000471646887 564201786 /nfs/dbraw/zinc/20/17/86/564201786.db2.gz XYKZQEHRNYAPSC-CYBMUJFWSA-N 1 0 392.327 2.980 20 0 GFADRO CC[C@H]([NH2+]Cc1cc(Br)c(OC(F)F)c(OC)c1)C(=O)NC ZINC000449779264 564201916 /nfs/dbraw/zinc/20/19/16/564201916.db2.gz SXRCUBXMMWWFSH-JTQLQIEISA-N 1 0 381.217 2.673 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[N@@H+]1CC[C@@H](CCCO)C1 ZINC000449788192 564201952 /nfs/dbraw/zinc/20/19/52/564201952.db2.gz DBLUVAKFPDVXMP-UONOGXRCSA-N 1 0 399.329 2.557 20 0 GFADRO CC[C@H]([NH2+]Cc1c(C)nn(-c2ccc(Br)cc2)c1C)C(=O)NC ZINC000449776118 564202175 /nfs/dbraw/zinc/20/21/75/564202175.db2.gz OFZCLMIBUPVYPZ-INIZCTEOSA-N 1 0 379.302 2.866 20 0 GFADRO CCC[C@H]([NH2+]C(C)C)C(=O)N[C@H]1CCO[C@@H]1c1cncc(Br)c1 ZINC000506456460 564203388 /nfs/dbraw/zinc/20/33/88/564203388.db2.gz QEHLHVWAHZLJHL-HRCADAONSA-N 1 0 384.318 2.957 20 0 GFADRO Cc1ccc(Br)cc1CC(=O)NC[C@H](O)C[NH+]1CCC(C)CC1 ZINC000449853825 564205775 /nfs/dbraw/zinc/20/57/75/564205775.db2.gz WKPGXABDSLLUJT-KRWDZBQOSA-N 1 0 383.330 2.509 20 0 GFADRO CC[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCC(=O)Nc1ccccc1Br ZINC000538953224 564206785 /nfs/dbraw/zinc/20/67/85/564206785.db2.gz GIJYDIIYTGPSSY-QWHCGFSZSA-N 1 0 382.302 2.767 20 0 GFADRO CC[C@@H](CSC)[N@H+](C)CC(=O)N(C)CC(=O)Nc1ccccc1SC ZINC000539097480 564209398 /nfs/dbraw/zinc/20/93/98/564209398.db2.gz XTLYYLPURJGDKR-AWEZNQCLSA-N 1 0 383.583 2.879 20 0 GFADRO Cc1[nH]c(=O)c(Br)cc1C(=O)N[C@H](C)C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000506775121 564211892 /nfs/dbraw/zinc/21/18/92/564211892.db2.gz VWEUQRHXWRSTBY-SDDRHHMPSA-N 1 0 384.318 2.954 20 0 GFADRO Cc1cc(C(=O)NCC2CC[NH+](CCN(C)C)CC2)c(Br)s1 ZINC000472079010 564212040 /nfs/dbraw/zinc/21/20/40/564212040.db2.gz RHHILOJFSZPDJP-UHFFFAOYSA-N 1 0 388.375 2.822 20 0 GFADRO Cc1[nH]c(=O)c(Br)cc1C(=O)N[C@@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000506775125 564212104 /nfs/dbraw/zinc/21/21/04/564212104.db2.gz VWEUQRHXWRSTBY-TUAOUCFPSA-N 1 0 384.318 2.954 20 0 GFADRO Cc1nccn1CCCC[NH2+]C[C@H](O)COc1cccc(Br)c1 ZINC000563952461 564214469 /nfs/dbraw/zinc/21/44/69/564214469.db2.gz IKSJZOZMEMXXCN-INIZCTEOSA-N 1 0 382.302 2.764 20 0 GFADRO O=C(NCC[NH+]1CCCCC1)N[C@H]1COc2cc(F)c(Br)cc21 ZINC000507041252 564217061 /nfs/dbraw/zinc/21/70/61/564217061.db2.gz RTVHRNDNWDPZEO-AWEZNQCLSA-N 1 0 386.265 2.807 20 0 GFADRO COCCC[N@H+](C)CCNC(=O)N[C@H](C)c1ccc(Br)cc1F ZINC000564072691 564218771 /nfs/dbraw/zinc/21/87/71/564218771.db2.gz HIPKXPNORXRGKC-GFCCVEGCSA-N 1 0 390.297 2.917 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)Nc1ccncc1Br)c1ccc(F)cc1 ZINC000507164196 564220231 /nfs/dbraw/zinc/22/02/31/564220231.db2.gz XHBJQCGCYDINIV-HNNXBMFYSA-N 1 0 381.249 2.830 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CNC(=O)N[C@H]1COc2cc(F)c(Br)cc21 ZINC000507215850 564221519 /nfs/dbraw/zinc/22/15/19/564221519.db2.gz YRHYZLDZVKBXKQ-HZMBPMFUSA-N 1 0 386.265 2.805 20 0 GFADRO C[C@H]([NH2+][C@@H]1CSC[C@@H]1C)C(=O)Nc1ccc(I)cc1 ZINC000507210838 564222105 /nfs/dbraw/zinc/22/21/05/564222105.db2.gz KZTBTAQCBKXZEN-OUJBWJOFSA-N 1 0 390.290 2.959 20 0 GFADRO CSc1ccc([C@H](C)[NH2+]C[C@H]2CCCCN2S(=O)(=O)N(C)C)cc1F ZINC000564152227 564222234 /nfs/dbraw/zinc/22/22/34/564222234.db2.gz MFQZDKSWNGYWEF-DZGCQCFKSA-N 1 0 389.562 2.859 20 0 GFADRO Cc1cc2c(Br)ccnc2cc1N1CCN(C(=O)C[NH+](C)C)CC1 ZINC000450238454 564223040 /nfs/dbraw/zinc/22/30/40/564223040.db2.gz AKTLBWHTXSRTAE-UHFFFAOYSA-N 1 0 391.313 2.516 20 0 GFADRO O=C(Nc1ccncc1Br)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000507249147 564223237 /nfs/dbraw/zinc/22/32/37/564223237.db2.gz RBXWLEDLTILMEN-CQSZACIVSA-N 1 0 375.270 2.662 20 0 GFADRO O=C1[C@@H]([NH2+]Cc2cnn3ccccc23)CCN1c1cccc(Br)c1 ZINC000507242836 564223337 /nfs/dbraw/zinc/22/33/37/564223337.db2.gz HUMKJWJRUXOZIJ-INIZCTEOSA-N 1 0 385.265 2.992 20 0 GFADRO CC(=O)NCCC[NH+]1CCC(C(=O)Nc2cccc(Br)c2)CC1 ZINC000507276346 564224211 /nfs/dbraw/zinc/22/42/11/564224211.db2.gz GLPKZQRDWRUMQD-UHFFFAOYSA-N 1 0 382.302 2.626 20 0 GFADRO C[C@@H](CNc1cc(Br)cnc1C(N)=O)[N@@H+]1CCc2ccccc2C1 ZINC000472495422 564224397 /nfs/dbraw/zinc/22/43/97/564224397.db2.gz GSOYPGLIUAPIDB-LBPRGKRZSA-N 1 0 389.297 2.802 20 0 GFADRO CC[NH+](CC)[C@@H]1CCN(S(=O)(=O)c2ccc(Br)cc2C)C1 ZINC000472578249 564227164 /nfs/dbraw/zinc/22/71/64/564227164.db2.gz DRDPQMQQDHITIY-CQSZACIVSA-N 1 0 375.332 2.862 20 0 GFADRO CC[NH+](CC)[C@H]1CCN(S(=O)(=O)c2ccc(Br)cc2C)C1 ZINC000472578246 564227265 /nfs/dbraw/zinc/22/72/65/564227265.db2.gz DRDPQMQQDHITIY-AWEZNQCLSA-N 1 0 375.332 2.862 20 0 GFADRO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000564315894 564228366 /nfs/dbraw/zinc/22/83/66/564228366.db2.gz DHRICOKGWZUSNC-CYBMUJFWSA-N 1 0 388.343 2.949 20 0 GFADRO CN1CCC[C@H]([NH+]2CCC(C(=O)Nc3ccccc3Br)CC2)C1=O ZINC000539808915 564228911 /nfs/dbraw/zinc/22/89/11/564228911.db2.gz UEAMFNMQOGOGRW-INIZCTEOSA-N 1 0 394.313 2.720 20 0 GFADRO CN1CCC(CCO)([NH2+]Cc2ccc(OC(F)F)c(Br)c2)CC1 ZINC000472620182 564229719 /nfs/dbraw/zinc/22/97/19/564229719.db2.gz UZMAGCZVZQMHIM-UHFFFAOYSA-N 1 0 393.272 2.987 20 0 GFADRO COc1ccc(Br)c(C(=O)NCCC[NH2+][C@@H](C)[C@H]2CCCOC2)c1 ZINC000507481128 564229872 /nfs/dbraw/zinc/22/98/72/564229872.db2.gz CICZIRBXVCQISD-KBPBESRZSA-N 1 0 399.329 2.982 20 0 GFADRO CCc1cc(N2CCN(c3ncc(Br)c(OC)n3)CC2)cc[nH+]1 ZINC000450372345 564229957 /nfs/dbraw/zinc/22/99/57/564229957.db2.gz OILKXOCEKHILQT-UHFFFAOYSA-N 1 0 378.274 2.532 20 0 GFADRO C[C@H]1CN(c2ncnc3cc(Br)ccc32)CC[N@@H+]1CC(C)(C)O ZINC000450470303 564233830 /nfs/dbraw/zinc/23/38/30/564233830.db2.gz ITLMAHUSYVVOEZ-LBPRGKRZSA-N 1 0 379.302 2.674 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)c2ccc(-n3cc(Br)cn3)cc2)C1 ZINC000564568683 564239846 /nfs/dbraw/zinc/23/98/46/564239846.db2.gz VOHAACLNRXEVGA-GXTWGEPZSA-N 1 0 377.286 2.834 20 0 GFADRO CNS(=O)(=O)c1cccc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ccc(C)s2)c1 ZINC000540175629 564241074 /nfs/dbraw/zinc/24/10/74/564241074.db2.gz TXDZRGGCAQLCME-CHWSQXEVSA-N 1 0 381.523 2.642 20 0 GFADRO C[NH+](C)CC[C@](C)(O)CNC(=O)Cc1csc(-c2ccccc2Cl)n1 ZINC000473267756 564243020 /nfs/dbraw/zinc/24/30/20/564243020.db2.gz CAYVJBWCOZAXCQ-SFHVURJKSA-N 1 0 381.929 2.825 20 0 GFADRO C[C@@H]([NH2+]C[C@@H]1CCNC(=O)CC1)c1cc2c(cc1Br)OCCO2 ZINC000450675065 564243664 /nfs/dbraw/zinc/24/36/64/564243664.db2.gz NRCBPHDAJZDPTN-NEPJUHHUSA-N 1 0 383.286 2.787 20 0 GFADRO C[NH+](C)CCN(C(=O)c1ccn(-c2ccc(Br)cc2)n1)C1CC1 ZINC000450713850 564244823 /nfs/dbraw/zinc/24/48/23/564244823.db2.gz HECQSSFWSZPNAX-UHFFFAOYSA-N 1 0 377.286 2.801 20 0 GFADRO [NH3+]C[C@H]1CCCN(C(=O)Nc2ccnn2Cc2ccc(Br)cc2)C1 ZINC000564715593 564246232 /nfs/dbraw/zinc/24/62/32/564246232.db2.gz VHCAZURKSDODCB-CQSZACIVSA-N 1 0 392.301 2.897 20 0 GFADRO Cc1c(Br)cccc1S(=O)(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000564730368 564247190 /nfs/dbraw/zinc/24/71/90/564247190.db2.gz ZKMWTUYSTFBACL-CQSZACIVSA-N 1 0 387.343 2.768 20 0 GFADRO COCC[NH2+]C1CCN(C(=O)N[C@@H]2COc3c2ccc(Cl)c3Cl)CC1 ZINC000564801790 564249865 /nfs/dbraw/zinc/24/98/65/564249865.db2.gz HDKCQHHYLPBQNT-CQSZACIVSA-N 1 0 388.295 2.837 20 0 GFADRO CCOc1c(Br)cc(Cl)cc1NC(=O)CCOC1C[NH2+]C1 ZINC000564834551 564251417 /nfs/dbraw/zinc/25/14/17/564251417.db2.gz MJEUEBYXHMSTBP-UHFFFAOYSA-N 1 0 377.666 2.818 20 0 GFADRO Cc1cn2c(n1)[C@H](C[NH2+]C[C@H](O)COc1ccc(Br)cc1)CCC2 ZINC000564852584 564252885 /nfs/dbraw/zinc/25/28/85/564252885.db2.gz NGGSCQDPHNSLFL-HOCLYGCPSA-N 1 0 394.313 2.861 20 0 GFADRO O[C@@H](C[NH2+]CCc1c[nH]c2ccc(Br)cc12)COC1CCOCC1 ZINC000564873418 564253616 /nfs/dbraw/zinc/25/36/16/564253616.db2.gz NRIQJOUTCZSRBB-HNNXBMFYSA-N 1 0 397.313 2.619 20 0 GFADRO COc1ccc(Br)cc1CNC(=O)[C@@H]1C[NH2+]Cc2ccccc21 ZINC000564914434 564256541 /nfs/dbraw/zinc/25/65/41/564256541.db2.gz VZLHIUDJQJYFML-MRXNPFEDSA-N 1 0 375.266 2.961 20 0 GFADRO Cc1ccc(CC(=O)NC(C)(C)CC[NH+]2CCN(C)CC2)c(Br)c1 ZINC000450955179 564256749 /nfs/dbraw/zinc/25/67/49/564256749.db2.gz DONKZQYQIKNJCS-UHFFFAOYSA-N 1 0 396.373 2.832 20 0 GFADRO Brc1ccc(-n2cc(C[NH2+]CCn3cnnc3C3CC3)cn2)cc1 ZINC000540802530 564256835 /nfs/dbraw/zinc/25/68/35/564256835.db2.gz BVVAFNYOIVZSCZ-UHFFFAOYSA-N 1 0 387.285 2.894 20 0 GFADRO CN(C1(C[NH3+])CCC1)S(=O)(=O)c1cc(Cl)c(Br)cc1F ZINC000564967082 564259839 /nfs/dbraw/zinc/25/98/39/564259839.db2.gz RYDOTCTVMZBRLM-UHFFFAOYSA-N 1 0 385.686 2.744 20 0 GFADRO [NH3+]CC1(NS(=O)(=O)Cc2ccc(Cl)cc2Br)CCCC1 ZINC000564958598 564260371 /nfs/dbraw/zinc/26/03/71/564260371.db2.gz WFMIRAQEAIDMBB-UHFFFAOYSA-N 1 0 381.723 2.793 20 0 GFADRO Cc1cc(C)c(C(=O)N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)cc1Br ZINC000450986114 564260429 /nfs/dbraw/zinc/26/04/29/564260429.db2.gz GCRPLFJAEKKZDW-AWEZNQCLSA-N 1 0 383.330 2.983 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)[C@@H]1CCCCC[NH2+]1 ZINC000564985979 564260935 /nfs/dbraw/zinc/26/09/35/564260935.db2.gz YXWYHKQJHLQAGY-HNNXBMFYSA-N 1 0 382.302 2.735 20 0 GFADRO O[C@H](C[NH2+]C[C@@H](O)Cc1cccc(F)c1)COc1ccc(Br)cc1 ZINC000564974882 564261026 /nfs/dbraw/zinc/26/10/26/564261026.db2.gz DOSRDRPXNVAQID-DLBZAZTESA-N 1 0 398.272 2.521 20 0 GFADRO C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000508327373 564261187 /nfs/dbraw/zinc/26/11/87/564261187.db2.gz APPGHVOMERSQIJ-ZDUSSCGKSA-N 1 0 388.339 2.903 20 0 GFADRO O=C(Nc1cc(Br)c[nH]c1=O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000565035480 564263080 /nfs/dbraw/zinc/26/30/80/564263080.db2.gz OIZFNBDPKXIDGO-LBPRGKRZSA-N 1 0 386.315 2.706 20 0 GFADRO C[N@@H+]1CCCC[C@@H]1CCC(=O)NC[C@H](CO)Cc1ccc(Br)cc1 ZINC000508556378 564266304 /nfs/dbraw/zinc/26/63/04/564266304.db2.gz LLBCHPZPEFRKAJ-SJLPKXTDSA-N 1 0 397.357 2.981 20 0 GFADRO Cc1c(Br)cccc1S(=O)(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000474136883 564266713 /nfs/dbraw/zinc/26/67/13/564266713.db2.gz WBAZBYCREUJZND-YPMHNXCESA-N 1 0 375.332 2.861 20 0 GFADRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)c1cc(F)c(F)cc1Br ZINC000474218066 564270252 /nfs/dbraw/zinc/27/02/52/564270252.db2.gz YZNKKXXZILCBNA-JTQLQIEISA-N 1 0 391.256 2.645 20 0 GFADRO Cc1csc([C@@H]2COCCN2C(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)n1 ZINC000565194427 564271105 /nfs/dbraw/zinc/27/11/05/564271105.db2.gz HQYVXXQZXSFIGC-CVEARBPZSA-N 1 0 381.567 2.569 20 0 GFADRO O=C(NCCOc1ccc(Br)cc1)c1ccc2c(c1)CC[NH2+]CC2 ZINC000474295352 564273442 /nfs/dbraw/zinc/27/34/42/564273442.db2.gz RXKISMFRCQADAY-UHFFFAOYSA-N 1 0 389.293 2.946 20 0 GFADRO COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)NCCC[NH+]1CCCC1 ZINC000508952414 564277399 /nfs/dbraw/zinc/27/73/99/564277399.db2.gz UTMYZKLVHZDJNS-UHFFFAOYSA-N 1 0 395.308 2.544 20 0 GFADRO C[NH+](C)C1(CNS(=O)(=O)c2ccc(OCC(F)F)cc2)CCCCC1 ZINC000565384039 564277861 /nfs/dbraw/zinc/27/78/61/564277861.db2.gz FTYDDCKVPSUFDU-UHFFFAOYSA-N 1 0 376.469 2.873 20 0 GFADRO OC[C@H](C[NH2+]CC1=Cc2cc(Br)ccc2OC1)c1cccnc1 ZINC000565385769 564278520 /nfs/dbraw/zinc/27/85/20/564278520.db2.gz OKEKNVDIUMJDCD-INIZCTEOSA-N 1 0 375.266 2.986 20 0 GFADRO CC[NH2+]CCCNC(=O)C(=O)Nc1cc(Br)cc(C(F)(F)F)c1 ZINC000565410669 564279653 /nfs/dbraw/zinc/27/96/53/564279653.db2.gz RLAXUUFPGNIQTE-UHFFFAOYSA-N 1 0 396.207 2.522 20 0 GFADRO O=S(=O)(c1ccccc1OC(F)(F)F)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000565412687 564280197 /nfs/dbraw/zinc/28/01/97/564280197.db2.gz LDYXCOVOHFGBIZ-CHWSQXEVSA-N 1 0 378.416 2.738 20 0 GFADRO Cc1cc(Br)cn2c(C[NH2+]CCC(=O)Nc3ccccn3)cnc12 ZINC000541556872 564283050 /nfs/dbraw/zinc/28/30/50/564283050.db2.gz YLHBXLIMCXNXAO-UHFFFAOYSA-N 1 0 388.269 2.919 20 0 GFADRO CCC[C@@H]([NH2+]C(C)C)C(=O)N[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000509186616 564285350 /nfs/dbraw/zinc/28/53/50/564285350.db2.gz SBAMDOUDJDKAEA-CVEARBPZSA-N 1 0 396.329 2.837 20 0 GFADRO CCOC[C@@H](O)C[N@@H+]1CC[C@H](Cc2cccc(I)c2)C1 ZINC000451195728 564285603 /nfs/dbraw/zinc/28/56/03/564285603.db2.gz UZTKEXQKWZOIIC-ZBFHGGJFSA-N 1 0 389.277 2.553 20 0 GFADRO CCC[C@@H]1C[NH2+]CCN1C(=O)C[C@@H](NC(C)=O)c1ccc(Br)cc1 ZINC000565539712 564285689 /nfs/dbraw/zinc/28/56/89/564285689.db2.gz KOSSQVFTJCXFGI-IAGOWNOFSA-N 1 0 396.329 2.617 20 0 GFADRO NC(=O)C1CCC([NH2+]Cc2c(F)ccc(I)c2F)CC1 ZINC000474708498 564286745 /nfs/dbraw/zinc/28/67/45/564286745.db2.gz LRCXDMPLOJRSQL-UHFFFAOYSA-N 1 0 394.203 2.703 20 0 GFADRO COC[C@@](C)(CC(=O)OC)[NH2+]Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000541763659 564288035 /nfs/dbraw/zinc/28/80/35/564288035.db2.gz SAPNGHODJBFMHV-QGZVFWFLSA-N 1 0 396.285 2.693 20 0 GFADRO O[C@H](C[NH2+]CCc1ccc2c(c1)OCO2)COc1cccc(Br)c1 ZINC000565649972 564290133 /nfs/dbraw/zinc/29/01/33/564290133.db2.gz MPSVMVLHNADMLU-OAHLLOKOSA-N 1 0 394.265 2.750 20 0 GFADRO CCOC[C@@H](O)C[NH2+][C@@H](C)CCc1ccc(I)cc1 ZINC000474812037 564290415 /nfs/dbraw/zinc/29/04/15/564290415.db2.gz UGDRYJGSFOJREY-WFASDCNBSA-N 1 0 377.266 2.599 20 0 GFADRO C[C@H](CNC(=O)c1cc(I)ccc1F)[N@H+](C)C1CC1 ZINC000474853748 564290802 /nfs/dbraw/zinc/29/08/02/564290802.db2.gz QSFVCOIPRZWWHN-SECBINFHSA-N 1 0 376.213 2.643 20 0 GFADRO COCCC[N@H+](C)CCNS(=O)(=O)c1sc2ccccc2c1Cl ZINC000451246554 564291263 /nfs/dbraw/zinc/29/12/63/564291263.db2.gz RDGWWKBOFUTUHL-UHFFFAOYSA-N 1 0 376.931 2.801 20 0 GFADRO Cc1cc(Br)cn2cc(CNC(=O)N[C@H]3CC[N@H+](C)[C@H](C)C3)nc12 ZINC000541841677 564291580 /nfs/dbraw/zinc/29/15/80/564291580.db2.gz ANPHVMYAISTPBH-OCCSQVGLSA-N 1 0 394.317 2.687 20 0 GFADRO [NH3+]CC1(CC(=O)N(CCn2ccnc2)Cc2ccccc2Br)CC1 ZINC000565713961 564292740 /nfs/dbraw/zinc/29/27/40/564292740.db2.gz CKBPEZOWJHJRAH-UHFFFAOYSA-N 1 0 391.313 2.803 20 0 GFADRO C[NH+]1CCC(C)(CNC(=O)c2cc(=O)c3cc(Br)ccc3[nH]2)CC1 ZINC000541892522 564293407 /nfs/dbraw/zinc/29/34/07/564293407.db2.gz PGBXZLZDCRJROL-UHFFFAOYSA-N 1 0 392.297 2.752 20 0 GFADRO CC[NH+](CC)[C@@H]1CCN(C(=O)c2cc(I)ccc2F)C1 ZINC000474946429 564295109 /nfs/dbraw/zinc/29/51/09/564295109.db2.gz ZYHWJYQUXAVXFZ-GFCCVEGCSA-N 1 0 390.240 2.987 20 0 GFADRO C[N@H+](CCNC(=O)C(=O)NCCSc1ccc(Cl)cc1)C1CCCC1 ZINC000565787970 564295985 /nfs/dbraw/zinc/29/59/85/564295985.db2.gz NCSUNLLNADXCIP-UHFFFAOYSA-N 1 0 383.945 2.539 20 0 GFADRO OC[C@H]([NH2+]C[C@H](O)COc1cccc(Br)c1)c1cccc(F)c1 ZINC000541955721 564296313 /nfs/dbraw/zinc/29/63/13/564296313.db2.gz ZSOZFJODKLZJFR-RDJZCZTQSA-N 1 0 384.245 2.651 20 0 GFADRO C[NH+]1CCC(CCNC(=O)N[C@@H](CCO)c2ccccc2Br)CC1 ZINC000541966234 564296381 /nfs/dbraw/zinc/29/63/81/564296381.db2.gz VPQHRZIPYXFQHF-KRWDZBQOSA-N 1 0 398.345 2.904 20 0 GFADRO COCc1cccc(C[NH2+]CCNS(=O)(=O)c2ccc(F)cc2Cl)c1 ZINC000509400526 564297030 /nfs/dbraw/zinc/29/70/30/564297030.db2.gz DRTJVNKRAFDINL-UHFFFAOYSA-N 1 0 386.876 2.694 20 0 GFADRO C[C@H](Sc1nncn1C)C(=O)Nc1nc2c(s1)C[N@@H+](C(C)(C)C)CC2 ZINC000565829297 564297661 /nfs/dbraw/zinc/29/76/61/564297661.db2.gz GXKLWAFCBAVAKV-JTQLQIEISA-N 1 0 380.543 2.548 20 0 GFADRO NC(=O)[C@H]1CC[C@H](C[NH2+]C[C@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000565828608 564297824 /nfs/dbraw/zinc/29/78/24/564297824.db2.gz BKEHKPPHAQFBNE-OBJOEFQTSA-N 1 0 375.296 2.614 20 0 GFADRO [NH3+]C[C@@H]1c2ccccc2CCN1C(=O)COc1ccc(Br)cc1 ZINC000565834780 564298979 /nfs/dbraw/zinc/29/89/79/564298979.db2.gz GHYVNYPNBQDLFW-QGZVFWFLSA-N 1 0 375.266 2.913 20 0 GFADRO NC(=O)c1cccc(C[NH2+]CCOc2ccc(I)cc2)c1 ZINC000509439388 564299312 /nfs/dbraw/zinc/29/93/12/564299312.db2.gz OGSQBUUFMGDMQV-UHFFFAOYSA-N 1 0 396.228 2.559 20 0 GFADRO C[C@@H]1CN(C[C@@H](O)C[NH2+]Cc2ccc(Br)cc2Cl)C[C@@H](C)O1 ZINC000565887373 564300796 /nfs/dbraw/zinc/30/07/96/564300796.db2.gz MRQIHFDYBXYXDG-JMSVASOKSA-N 1 0 391.737 2.662 20 0 GFADRO COCCCOc1ccc(Cl)cc1S(=O)(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000565892516 564300932 /nfs/dbraw/zinc/30/09/32/564300932.db2.gz RKRVWDYCBYAVSB-HNNXBMFYSA-N 1 0 390.933 2.566 20 0 GFADRO COC[C@]1(C(=O)OC)CC[N@H+](Cc2nc3ccc(Br)cc3o2)C1 ZINC000451341530 564302700 /nfs/dbraw/zinc/30/27/00/564302700.db2.gz LZRIKRBFXIRCKP-INIZCTEOSA-N 1 0 383.242 2.602 20 0 GFADRO CCCC[N@H+](C)C[C@H](C)NC(=O)c1cncc(I)c1 ZINC000565976168 564304394 /nfs/dbraw/zinc/30/43/94/564304394.db2.gz TUYQNKIHPAAXPU-NSHDSACASA-N 1 0 375.254 2.536 20 0 GFADRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)CNC(=O)c1sc2ccccc2c1Cl ZINC000509606009 564306250 /nfs/dbraw/zinc/30/62/50/564306250.db2.gz AUVOCYIWMXWELA-NWDGAFQWSA-N 1 0 379.913 2.836 20 0 GFADRO CCC[N@H+](C)[C@@H](CNS(=O)(=O)c1cnn(CC)c1)c1ccc(Cl)cc1 ZINC000509637589 564307174 /nfs/dbraw/zinc/30/71/74/564307174.db2.gz VOPHFTUQMSFUBA-KRWDZBQOSA-N 1 0 384.933 2.918 20 0 GFADRO COC(=O)[C@@H]1CC[N@H+](C[C@H](O)COc2ccc(Cl)cc2Cl)C[C@@H]1C ZINC000475400966 564307340 /nfs/dbraw/zinc/30/73/40/564307340.db2.gz PSKYWRRVLALSLE-FPMFFAJLSA-N 1 0 376.280 2.864 20 0 GFADRO C[C@@H]1CC[NH2+][C@@H](C)[C@H]1NC(=O)c1ncc(Br)cc1Br ZINC000566102356 564309237 /nfs/dbraw/zinc/30/92/37/564309237.db2.gz JZVHJMHOHKASJO-FYBVGQRMSA-N 1 0 391.107 2.723 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H](CNC(=O)c2cc(F)c(F)cc2I)C1 ZINC000566102947 564309299 /nfs/dbraw/zinc/30/92/99/564309299.db2.gz GOKFIUVRXLMXDI-RKDXNWHRSA-N 1 0 394.203 2.817 20 0 GFADRO O[C@@H](C[NH2+]Cc1nnc2c(Cl)cc(C(F)(F)F)cn12)CC(F)(F)F ZINC000566107067 564309460 /nfs/dbraw/zinc/30/94/60/564309460.db2.gz DWBOAGIKKDVSSI-SSDOTTSWSA-N 1 0 376.688 2.804 20 0 GFADRO C[C@@H](c1ccccc1Br)N(C)C(=O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000566095304 564309552 /nfs/dbraw/zinc/30/95/52/564309552.db2.gz VYEICWCDDAPEMT-STQMWFEESA-N 1 0 392.301 2.798 20 0 GFADRO O=C(Cc1ccccc1Br)N1CC[C@@H](OCC[NH+]2CCCC2)C1 ZINC000475454691 564309864 /nfs/dbraw/zinc/30/98/64/564309864.db2.gz ZIVQIZCFNGIDBU-MRXNPFEDSA-N 1 0 381.314 2.705 20 0 GFADRO CS[C@H]1CN(S(=O)(=O)Cc2c(F)cccc2Cl)C[C@@H]1[NH+]1CCCC1 ZINC000451406763 564310082 /nfs/dbraw/zinc/31/00/82/564310082.db2.gz KQKFVIBPKCOWHT-HOTGVXAUSA-N 1 0 392.949 2.821 20 0 GFADRO Brc1ccc(C[NH2+]CCN2CC=CCC2)c(N2CCOCC2)c1 ZINC000475507602 564310773 /nfs/dbraw/zinc/31/07/73/564310773.db2.gz KJJVVNUPJJMEOO-UHFFFAOYSA-N 1 0 380.330 2.637 20 0 GFADRO Cn1cc2c(n1)CCC[C@H]2[NH2+]C[C@@H](O)COc1ccc(Br)cc1 ZINC000566129145 564311762 /nfs/dbraw/zinc/31/17/62/564311762.db2.gz YGGHCXFIHBCXDJ-CZUORRHYSA-N 1 0 380.286 2.590 20 0 GFADRO C[S@@](=O)Cc1ccc(C[NH2+]C[C@H](O)COCc2ccc(Cl)cc2)cc1 ZINC000566129467 564311941 /nfs/dbraw/zinc/31/19/41/564311941.db2.gz DRAFIUKUZIOKDB-UQBPGWFLSA-N 1 0 381.925 2.886 20 0 GFADRO C[C@H](Oc1ccc(Cl)cc1Br)C(=O)NCCOCC[NH+](C)C ZINC000542458065 564313127 /nfs/dbraw/zinc/31/31/27/564313127.db2.gz CTZUCWUAPWIALO-NSHDSACASA-N 1 0 393.709 2.564 20 0 GFADRO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCc1nc(-c2cccc(Br)c2)no1 ZINC000566194642 564316532 /nfs/dbraw/zinc/31/65/32/564316532.db2.gz DLHUKHWMZGGMDD-STQMWFEESA-N 1 0 379.258 2.503 20 0 GFADRO CO[C@@H](C(=O)Nc1ccc(CN2CC[NH+](C)CC2)c(Br)c1)C(C)C ZINC000475754326 564317992 /nfs/dbraw/zinc/31/79/92/564317992.db2.gz URNODQWRETVOPR-QGZVFWFLSA-N 1 0 398.345 2.806 20 0 GFADRO Cc1nc(-c2ccc(Br)cc2)sc1[C@H](C)[NH2+]CC(=O)NC(N)=O ZINC000542572669 564318289 /nfs/dbraw/zinc/31/82/89/564318289.db2.gz CCZSSPXRBBOINR-QMMMGPOBSA-N 1 0 397.298 2.727 20 0 GFADRO CC(C)(CN1CCOCC1)NC(=O)[C@H]1CCc2cc(Br)ccc21 ZINC000566262412 564319993 /nfs/dbraw/zinc/31/99/93/564319993.db2.gz RZFXRCPZUSHKFO-INIZCTEOSA-N 1 0 381.314 2.706 20 0 GFADRO CCS(=O)(=O)N1CCC(C[NH2+]Cc2cc(C(F)(F)F)ccc2F)CC1 ZINC000542710406 564322188 /nfs/dbraw/zinc/32/21/88/564322188.db2.gz MXQBVRRZAPUJLG-UHFFFAOYSA-N 1 0 382.423 2.996 20 0 GFADRO Cn1ccc([C@@H]([NH2+]CCC2CCS(=O)(=O)CC2)c2ccc(Cl)cc2)n1 ZINC000542704760 564322198 /nfs/dbraw/zinc/32/21/98/564322198.db2.gz PIXQCQIRYXJBIG-SFHVURJKSA-N 1 0 381.929 2.967 20 0 GFADRO COC(=O)C[C@H]1CSCC[N@@H+]1C[C@H](O)COc1ccc(Cl)cc1Cl ZINC000475878908 564323506 /nfs/dbraw/zinc/32/35/06/564323506.db2.gz GQJYMIIKQZLBNM-STQMWFEESA-N 1 0 394.320 2.714 20 0 GFADRO CCCOc1c(Cl)cc(C[NH2+][C@@H]2CCN(S(C)(=O)=O)C2)cc1OCC ZINC000566341212 564323881 /nfs/dbraw/zinc/32/38/81/564323881.db2.gz OYRBQJNZSWDRQD-CQSZACIVSA-N 1 0 390.933 2.651 20 0 GFADRO O[C@@H](COC1CCOCC1)C[N@@H+]1CC[C@H](c2cccc(Br)c2)C1 ZINC000451569921 564326675 /nfs/dbraw/zinc/32/66/75/564326675.db2.gz PBEABYISXFBPBS-DOTOQJQBSA-N 1 0 384.314 2.795 20 0 GFADRO Cn1cc(N2CC[C@H](N3CC[C@@H](c4cccc(Br)c4)C3)C2=O)cn1 ZINC000451575388 564327438 /nfs/dbraw/zinc/32/74/38/564327438.db2.gz XRXBZBXCFFZTJP-PBHICJAKSA-N 1 0 389.297 2.777 20 0 GFADRO Cc1cc(NC(=O)CN2CC[C@@H](c3cccc(Br)c3)C2)n(C)n1 ZINC000451574398 564327547 /nfs/dbraw/zinc/32/75/47/564327547.db2.gz VLANGDGWZZQLFL-CQSZACIVSA-N 1 0 377.286 2.919 20 0 GFADRO CC[NH+](CC)CCS(=O)(=O)NC1(c2ccc(OC(F)(F)F)cc2)CC1 ZINC000451626235 564333172 /nfs/dbraw/zinc/33/31/72/564333172.db2.gz RXHFMGWBQSQMSL-UHFFFAOYSA-N 1 0 380.432 2.836 20 0 GFADRO CCCS(=O)(=O)Nc1cc(NC(=O)[C@]2(C)CCCC[NH2+]2)c(F)cc1F ZINC000510451633 564333950 /nfs/dbraw/zinc/33/39/50/564333950.db2.gz MKEVTMGLRYKPBB-INIZCTEOSA-N 1 0 375.441 2.587 20 0 GFADRO C[C@@H]1C[C@H](C[NH2+]C[C@H](O)COc2cc(F)cc(Br)c2)[C@H](C)O1 ZINC000566616000 564334474 /nfs/dbraw/zinc/33/44/74/564334474.db2.gz WAXNMRYYZRICKX-ZAZJYDDPSA-N 1 0 376.266 2.731 20 0 GFADRO CS[C@H]1CN(C(=O)c2cn(C)nc2-c2ccc(Cl)s2)C[C@H]1[NH+](C)C ZINC000476332964 564335075 /nfs/dbraw/zinc/33/50/75/564335075.db2.gz LFPKBIABTQELTG-YPMHNXCESA-N 1 0 384.958 2.920 20 0 GFADRO C[C@@H](NS(=O)(=O)c1ccc(Br)cc1F)C(C)(C)C[NH+](C)C ZINC000476338478 564335778 /nfs/dbraw/zinc/33/57/78/564335778.db2.gz RSPZTIBJLMFLEY-SNVBAGLBSA-N 1 0 381.311 2.843 20 0 GFADRO C[C@@H]1CN(Cc2ncc(-c3cccc(Br)c3)o2)C[C@H](C)[N@H+]1CCO ZINC000451655313 564336417 /nfs/dbraw/zinc/33/64/17/564336417.db2.gz RTTMVVNOSQZPMU-OKILXGFUSA-N 1 0 394.313 2.991 20 0 GFADRO C[C@H](C[NH+]1CCCCCC1)NC(=O)c1cc(Br)cnc1N(C)C ZINC000476390597 564336791 /nfs/dbraw/zinc/33/67/91/564336791.db2.gz OEOCHCBGVAJETC-CYBMUJFWSA-N 1 0 383.334 2.904 20 0 GFADRO CN(Cc1ccccc1Br)C(=O)C[N@@H+]1CC[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC000451701956 564341304 /nfs/dbraw/zinc/34/13/04/564341304.db2.gz HXHOXUIISSUCOZ-BFYDXBDKSA-N 1 0 395.341 2.890 20 0 GFADRO COC[C@@]1(CNC(=O)N[C@H]2C[C@H](c3ccc(Br)cc3)C2)CCC[NH2+]1 ZINC000566787116 564343157 /nfs/dbraw/zinc/34/31/57/564343157.db2.gz SNNWULIMCFDMCL-ZVZYQTTQSA-N 1 0 396.329 2.763 20 0 GFADRO Cc1ccsc1[C@H](CO)[NH2+]C[C@H](O)COc1cccc(Br)c1 ZINC000566773654 564343246 /nfs/dbraw/zinc/34/32/46/564343246.db2.gz QOZPRLBSLULMJK-ZFWWWQNUSA-N 1 0 386.311 2.882 20 0 GFADRO C[C@]1([NH2+]Cc2cc(=O)n3cc(Br)ccc3n2)CCO[C@H]1C1CC1 ZINC000543238354 564343854 /nfs/dbraw/zinc/34/38/54/564343854.db2.gz AOMPZZLFJUGQCI-IRXDYDNUSA-N 1 0 378.270 2.504 20 0 GFADRO C[NH+]1CCC(CCO)(NC(=O)c2cc(F)c(Br)cc2Cl)CC1 ZINC000476536319 564344194 /nfs/dbraw/zinc/34/41/94/564344194.db2.gz AONHHJMKDGXWRS-UHFFFAOYSA-N 1 0 393.684 2.818 20 0 GFADRO CN(CC1CC[NH+](C)CC1)S(=O)(=O)c1cccc(Br)c1F ZINC000543249573 564344536 /nfs/dbraw/zinc/34/45/36/564344536.db2.gz KBOPAJTWOSYESY-UHFFFAOYSA-N 1 0 379.295 2.551 20 0 GFADRO CC[C@H]1C[N@H+](CC)CCN1C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000451734529 564345698 /nfs/dbraw/zinc/34/56/98/564345698.db2.gz BWRVIUHNUZTNIR-HOTGVXAUSA-N 1 0 389.309 2.744 20 0 GFADRO O=C(CC[NH2+][C@H](CO)Cc1ccc(O)cc1)Nc1cccc(Br)c1 ZINC000566856149 564346715 /nfs/dbraw/zinc/34/67/15/564346715.db2.gz VJUSJHOEMSUUDJ-INIZCTEOSA-N 1 0 393.281 2.677 20 0 GFADRO COC(=O)c1ccc(C[N@@H+]2CCC[C@H](CNC(=O)CC(F)(F)F)C2)s1 ZINC000510919241 564349612 /nfs/dbraw/zinc/34/96/12/564349612.db2.gz HSTAVTALPPDFQE-LLVKDONJSA-N 1 0 378.416 2.815 20 0 GFADRO OC[C@@H]1CC[C@H]([NH2+]C[C@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000566915975 564349757 /nfs/dbraw/zinc/34/97/57/564349757.db2.gz RFFMOQBBQOPNPM-WXHSDQCUSA-N 1 0 378.694 2.593 20 0 GFADRO CCN(CCC[N@H+](C)[C@H](C)c1cccc(S(N)(=O)=O)c1)CC(F)(F)F ZINC000543444885 564351458 /nfs/dbraw/zinc/35/14/58/564351458.db2.gz DPNAHZFPTVRGQR-CYBMUJFWSA-N 1 0 381.464 2.601 20 0 GFADRO CCOC(=O)[C@@H]1CCC[C@@H]1[NH2+]CC(=O)N(C)Cc1ccccc1Br ZINC000451786188 564351506 /nfs/dbraw/zinc/35/15/06/564351506.db2.gz HDVRQDGWBJUQSS-ZBFHGGJFSA-N 1 0 397.313 2.729 20 0 GFADRO CN(C[C@H]1CCC[N@H+](CCn2ccc3cc(Cl)ccc32)C1)S(C)(=O)=O ZINC000567002246 564353484 /nfs/dbraw/zinc/35/34/84/564353484.db2.gz GRLRNONTBFEDMF-OAHLLOKOSA-N 1 0 383.945 2.898 20 0 GFADRO C[C@H](O)C[N@@H+]1CCN(C(=O)CCOc2ccc(Cl)c(Cl)c2)[C@@H](C)C1 ZINC000476823281 564354679 /nfs/dbraw/zinc/35/46/79/564354679.db2.gz GNWMQPGMPLWUOG-STQMWFEESA-N 1 0 375.296 2.676 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)C(=O)N1CCC[C@@H]1c1ccsc1)c1cccs1 ZINC000567065712 564355325 /nfs/dbraw/zinc/35/53/25/564355325.db2.gz IVXAGTDBTUXFRS-HUUCEWRRSA-N 1 0 377.535 2.892 20 0 GFADRO C[C@H]1[N@H+](Cc2cc(=O)n3cc(Br)ccc3n2)CCC12CCOCC2 ZINC000543574347 564355491 /nfs/dbraw/zinc/35/54/91/564355491.db2.gz RNITZJAFMORJDF-CYBMUJFWSA-N 1 0 392.297 2.848 20 0 GFADRO Cc1nc2cc(Cl)c(NC(=O)C(=O)N3CCC(CC[NH3+])CC3)cc2s1 ZINC000567055240 564355605 /nfs/dbraw/zinc/35/56/05/564355605.db2.gz SYPVGJBWYAXCOV-UHFFFAOYSA-N 1 0 380.901 2.784 20 0 GFADRO CCS(=O)(=O)N1CCC(C[NH2+]Cc2cc(C)c(Br)s2)CC1 ZINC000543638140 564357157 /nfs/dbraw/zinc/35/71/57/564357157.db2.gz RNRCWFPKEMWWDC-UHFFFAOYSA-N 1 0 395.388 2.970 20 0 GFADRO COc1ccc(CC(=O)NCC2(SC)CC[NH+](C)CC2)c(Cl)c1OC ZINC000451845158 564358472 /nfs/dbraw/zinc/35/84/72/564358472.db2.gz ICYQYUMLDUICIG-UHFFFAOYSA-N 1 0 386.945 2.843 20 0 GFADRO O[C@@H]1C[C@@H]([C@@H]2CCCOC2)[N@H+](Cc2cc3c(cc2Br)OCO3)C1 ZINC000567190008 564361109 /nfs/dbraw/zinc/36/11/09/564361109.db2.gz WYRFQDWAFOARCQ-KYOSRNDESA-N 1 0 384.270 2.540 20 0 GFADRO C[NH+](C)CCCC(C)(C)NS(=O)(=O)c1ccc(F)c(Br)c1 ZINC000451881942 564362470 /nfs/dbraw/zinc/36/24/70/564362470.db2.gz BXZSRNAARSPTDC-UHFFFAOYSA-N 1 0 381.311 2.987 20 0 GFADRO O=C(CC[NH2+]C1CC1)NCc1cc(Cl)cc(I)c1 ZINC000567248585 564363105 /nfs/dbraw/zinc/36/31/05/564363105.db2.gz HOWJOLZTPUJABS-UHFFFAOYSA-N 1 0 378.641 2.703 20 0 GFADRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N[C@H](CCO)c1ccccc1Br ZINC000543824720 564365180 /nfs/dbraw/zinc/36/51/80/564365180.db2.gz ODZPWLQNHFPSDU-CSMYWGQOSA-N 1 0 396.329 2.655 20 0 GFADRO CCC[N@H+](C)[C@@H](CNS(=O)(=O)C[C@H](C)COC)c1ccc(Cl)cc1 ZINC000567312840 564365955 /nfs/dbraw/zinc/36/59/55/564365955.db2.gz GHEZVXPHCIVNKY-PBHICJAKSA-N 1 0 376.950 2.925 20 0 GFADRO CS[C@@H]1CN(S(=O)(=O)c2ccc(F)cc2Cl)C[C@@H]1[NH+]1CCCC1 ZINC000477129169 564366472 /nfs/dbraw/zinc/36/64/72/564366472.db2.gz URMIVCRRLIBPBO-UONOGXRCSA-N 1 0 378.922 2.679 20 0 GFADRO CCCN(CC[NH+]1CCCC1)S(=O)(=O)c1ccc(C(=O)OC)c(Cl)c1 ZINC000511312906 564366569 /nfs/dbraw/zinc/36/65/69/564366569.db2.gz FLMMEZIBLSVREJ-UHFFFAOYSA-N 1 0 388.917 2.623 20 0 GFADRO Cn1[nH]c([C@H]2CCCN2CCC(=O)Nc2c(Cl)cccc2Cl)nc1=N ZINC000567331169 564366999 /nfs/dbraw/zinc/36/69/99/564366999.db2.gz YEFIQIZUEFWRLK-GFCCVEGCSA-N 1 0 383.283 2.700 20 0 GFADRO C[C@H]([NH2+]CCn1cc(Br)ccc1=O)c1ccc2c(c1)CCC(=O)N2 ZINC000567341512 564367383 /nfs/dbraw/zinc/36/73/83/564367383.db2.gz YNGRWDBZUZTZPC-LBPRGKRZSA-N 1 0 390.281 2.846 20 0 GFADRO COc1cc(Br)ccc1CCC(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000543878982 564367843 /nfs/dbraw/zinc/36/78/43/564367843.db2.gz DUPIWONNMNOVSE-ZDUSSCGKSA-N 1 0 381.314 2.991 20 0 GFADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNS(=O)(=O)c2ccc(C(F)(F)F)nc2)C1 ZINC000543897588 564367861 /nfs/dbraw/zinc/36/78/61/564367861.db2.gz NPBNCRBRGPSMEK-BETUJISGSA-N 1 0 379.448 2.747 20 0 GFADRO C[C@@H](CNS(=O)(=O)c1cc(C(F)(F)F)ccc1Br)[NH+](C)C ZINC000451927138 564368355 /nfs/dbraw/zinc/36/83/55/564368355.db2.gz IUZFTHYGISZSJV-QMMMGPOBSA-N 1 0 389.237 2.696 20 0 GFADRO O=C(NCC[C@@H]1CCC[NH2+]C1)N[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000567362581 564368949 /nfs/dbraw/zinc/36/89/49/564368949.db2.gz JJUXPMGYYIQDKA-HOCLYGCPSA-N 1 0 395.345 2.717 20 0 GFADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)NCc3cc(F)c(F)cc3Br)[C@@H]2C1 ZINC000511358739 564368989 /nfs/dbraw/zinc/36/89/89/564368989.db2.gz HBWRKEWOPNGKNJ-MEBBXXQBSA-N 1 0 388.256 2.963 20 0 GFADRO COc1cc(Br)ccc1CCC(=O)N1CC[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000543940901 564370019 /nfs/dbraw/zinc/37/00/19/564370019.db2.gz BCBHYCNVFDJJNB-XJKSGUPXSA-N 1 0 381.314 2.943 20 0 GFADRO CCOC(=O)COc1c(Br)cc(C)cc1C[NH2+][C@@H](C)C[C@H](C)O ZINC000544031478 564371313 /nfs/dbraw/zinc/37/13/13/564371313.db2.gz IVYNGDZTWIWMPZ-STQMWFEESA-N 1 0 388.302 2.948 20 0 GFADRO C[C@@H]1C[C@@H](C)CN(C(=O)C[NH2+][C@@](C)(CO)c2ccc(Br)cc2)C1 ZINC000511547725 564375337 /nfs/dbraw/zinc/37/53/37/564375337.db2.gz VKCQDEQRSAIUSQ-LBTNJELSSA-N 1 0 383.330 2.751 20 0 GFADRO CNC(=O)c1cccc(C[NH2+][C@@](C)(CO)c2ccc(Br)cc2)c1 ZINC000511588770 564376546 /nfs/dbraw/zinc/37/65/46/564376546.db2.gz QYUKUVANEHZQCA-SFHVURJKSA-N 1 0 377.282 2.806 20 0 GFADRO CN(C)S(=O)(=O)n1ccnc1C[NH2+][C@@H]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000567557914 564376934 /nfs/dbraw/zinc/37/69/34/564376934.db2.gz RORMEEVOLCKAMZ-GDBMZVCRSA-N 1 0 382.917 2.617 20 0 GFADRO C[NH+](C)CCN(Cc1cccs1)C(=O)C(=O)NCc1ccc(Cl)cc1 ZINC000567570364 564377434 /nfs/dbraw/zinc/37/74/34/564377434.db2.gz QGUXGERUMLSEPS-UHFFFAOYSA-N 1 0 379.913 2.608 20 0 GFADRO C[N@H+](C[C@@H](O)COc1ccc(Cl)cc1Br)[C@@H]1CCC[C@H]1O ZINC000511609005 564377618 /nfs/dbraw/zinc/37/76/18/564377618.db2.gz FNCSPPCMORSMLE-MRVWCRGKSA-N 1 0 378.694 2.687 20 0 GFADRO O=S(=O)(c1cccc(Br)c1F)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000544169059 564377974 /nfs/dbraw/zinc/37/79/74/564377974.db2.gz MUGGKHGNAQGHRT-GFCCVEGCSA-N 1 0 391.306 2.695 20 0 GFADRO C[NH+](C)CC(C)(C)CNC(=O)[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000511759560 564380978 /nfs/dbraw/zinc/38/09/78/564380978.db2.gz UTWCUGXDISWHAC-OAHLLOKOSA-N 1 0 396.329 2.506 20 0 GFADRO Cn1cc([C@@H]2CN(C(=O)Nc3ccc(Br)c(Cl)c3)C[C@H]2[NH3+])cn1 ZINC000567675739 564382343 /nfs/dbraw/zinc/38/23/43/564382343.db2.gz BVLATTAVVLYDOT-SMDDNHRTSA-N 1 0 398.692 2.795 20 0 GFADRO COCCN1CC[C@@H]([NH2+][C@@H](C)c2cc3c(cc2Br)OCCO3)C1 ZINC000544350408 564383337 /nfs/dbraw/zinc/38/33/37/564383337.db2.gz BILHZKMBNJGBFI-QWHCGFSZSA-N 1 0 385.302 2.592 20 0 GFADRO CCOCC[C@H](O)C[NH2+][C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000567684539 564383501 /nfs/dbraw/zinc/38/35/01/564383501.db2.gz LHICHFBQGCVUIL-STQMWFEESA-N 1 0 381.826 2.710 20 0 GFADRO NC(=O)c1ncc(Br)cc1NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000544354102 564384233 /nfs/dbraw/zinc/38/42/33/564384233.db2.gz SMYZVTHXPTYLMU-ZDUSSCGKSA-N 1 0 379.258 2.785 20 0 GFADRO CCCOc1ccc(Br)cc1Cn1cnc2c(c1=O)CC[NH2+]CC2 ZINC000567731447 564386283 /nfs/dbraw/zinc/38/62/83/564386283.db2.gz XEHJFMRCHKPSHR-UHFFFAOYSA-N 1 0 392.297 2.531 20 0 GFADRO C[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCC(C(=O)Nc2cccc(Br)c2)CC1 ZINC000567765116 564387092 /nfs/dbraw/zinc/38/70/92/564387092.db2.gz IJGROXRFCMWKME-BLLLJJGKSA-N 1 0 394.313 2.624 20 0 GFADRO CC[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2c(F)cccc2OC(F)(F)F)C1 ZINC000567772827 564387181 /nfs/dbraw/zinc/38/71/81/564387181.db2.gz XJZQAWMLESSNCR-NSHDSACASA-N 1 0 384.395 2.735 20 0 GFADRO C[C@@H](COCC(F)(F)F)NC(=O)c1ccc(C[NH+]2CCSCC2)cc1 ZINC000511976949 564387601 /nfs/dbraw/zinc/38/76/01/564387601.db2.gz KRZORJSBCRHFEL-ZDUSSCGKSA-N 1 0 376.444 2.933 20 0 GFADRO O=C(CCNC(=O)[C@H]1CCC[NH2+]1)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000567785792 564388576 /nfs/dbraw/zinc/38/85/76/564388576.db2.gz RBWHWDXCDPJDOE-HZPDHXFCSA-N 1 0 384.307 2.915 20 0 GFADRO O=S(=O)(CC[NH2+][C@@H]1CCCc2c(Cl)cccc21)NC[C@@H]1CCCCO1 ZINC000544575941 564389028 /nfs/dbraw/zinc/38/90/28/564389028.db2.gz JBLGCKVPJPXMPY-KBXCAEBGSA-N 1 0 386.945 2.796 20 0 GFADRO CC[C@H](NC(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1ccc(Cl)s1 ZINC000512024990 564389390 /nfs/dbraw/zinc/38/93/90/564389390.db2.gz GLDGKUDITLFFFX-OLZOCXBDSA-N 1 0 386.949 2.739 20 0 GFADRO C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)Nc1cccc(F)c1I ZINC000544607992 564389508 /nfs/dbraw/zinc/38/95/08/564389508.db2.gz JKXXLXVVAYKSTC-UWVGGRQHSA-N 1 0 391.228 2.987 20 0 GFADRO CC(=O)Nc1cc(F)c(S(=O)(=O)NCC[N@@H+]2CCCC2(C)C)cc1Cl ZINC000452088227 564389686 /nfs/dbraw/zinc/38/96/86/564389686.db2.gz NRJIAWIROHKZJD-UHFFFAOYSA-N 1 0 391.896 2.590 20 0 GFADRO CCS(=O)(=O)N1CCC(C[NH2+]Cc2ncc(-c3ccccc3)s2)CC1 ZINC000544623883 564390753 /nfs/dbraw/zinc/39/07/53/564390753.db2.gz HSFPLXMDXGGMOF-UHFFFAOYSA-N 1 0 379.551 2.961 20 0 GFADRO C[C@@H]([NH2+][C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1)C1CC1 ZINC000477914793 564391101 /nfs/dbraw/zinc/39/11/01/564391101.db2.gz AEHVGRVWESMILF-IUODEOHRSA-N 1 0 387.343 2.990 20 0 GFADRO O=C(NC1CC([NH+]2CCCCC2)C1)[C@H]1Cc2cc(Br)ccc2O1 ZINC000477954596 564391309 /nfs/dbraw/zinc/39/13/09/564391309.db2.gz JRJCFGNZBKULOX-VMBOVVBDSA-N 1 0 379.298 2.886 20 0 GFADRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)CCNC(=O)Nc1ccc(Br)cc1 ZINC000512112656 564392584 /nfs/dbraw/zinc/39/25/84/564392584.db2.gz AGTZQTORFKVLIU-QWHCGFSZSA-N 1 0 397.317 2.512 20 0 GFADRO CC(C)C[C@@H](CNC(=O)C(C)(C)S(=O)(=O)c1ccc(Cl)cc1)[NH+](C)C ZINC000512156341 564393502 /nfs/dbraw/zinc/39/35/02/564393502.db2.gz YZUFRQXXRAEHBO-HNNXBMFYSA-N 1 0 388.961 2.985 20 0 GFADRO COC(=O)c1c(NC(=O)C[NH2+][C@@H]2CSC[C@H]2C)sc2c1CC[C@@H](C)C2 ZINC000512209452 564394688 /nfs/dbraw/zinc/39/46/88/564394688.db2.gz BJCWQNZPSGGBHO-NQBHXWOUSA-N 1 0 382.551 2.939 20 0 GFADRO OCCC[C@@H]1CC[N@H+](C[C@@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000452131768 564395117 /nfs/dbraw/zinc/39/51/17/564395117.db2.gz PNLXDKMUWYOEMJ-TZMCWYRMSA-N 1 0 392.721 2.937 20 0 GFADRO CC[NH+]1CCN([C@@H](C)CNC(=O)[C@@H]2CCc3cc(Br)ccc32)CC1 ZINC000567938946 564396776 /nfs/dbraw/zinc/39/67/76/564396776.db2.gz MLOSEVVNHJHKBE-KBXCAEBGSA-N 1 0 394.357 2.621 20 0 GFADRO C[N@@H+]1CCCC[C@@H]1CCC(=O)NCCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000452169127 564397802 /nfs/dbraw/zinc/39/78/02/564397802.db2.gz NPCGMRWMGRDZBB-MRXNPFEDSA-N 1 0 386.945 2.885 20 0 GFADRO C[C@H]1CN(C(=O)c2ccc(I)cc2)CC[N@@H+](C2CC2)C1 ZINC000452168041 564397870 /nfs/dbraw/zinc/39/78/70/564397870.db2.gz CVMRDWUIVIDADR-GFCCVEGCSA-N 1 0 384.261 2.848 20 0 GFADRO COc1nc(C)c(Br)cc1C(=O)N1CC[N@@H+](C2CC2)C[C@H](C)C1 ZINC000452170765 564398152 /nfs/dbraw/zinc/39/81/52/564398152.db2.gz IVVYSPBJCGIRQL-NSHDSACASA-N 1 0 382.302 2.717 20 0 GFADRO C[C@@H](Sc1ccccc1C(=O)NC[C@H](c1ccsc1)[NH+](C)C)C(N)=O ZINC000512346799 564399002 /nfs/dbraw/zinc/39/90/02/564399002.db2.gz IIMYKHZKXREJGJ-IUODEOHRSA-N 1 0 377.535 2.747 20 0 GFADRO CCC[C@H]1C[NH2+]CCN1C(=O)c1ccc(-n2cc(Br)cn2)cc1 ZINC000568086412 564403999 /nfs/dbraw/zinc/40/39/99/564403999.db2.gz UMTIXVOODGSDDP-INIZCTEOSA-N 1 0 377.286 2.849 20 0 GFADRO COc1c[nH+]ccc1N1CCN(C(=O)c2ccc(Br)c(O)c2)CC1 ZINC000478469647 564404108 /nfs/dbraw/zinc/40/41/08/564404108.db2.gz BHCIXTXERJIIQT-UHFFFAOYSA-N 1 0 392.253 2.521 20 0 GFADRO CC(C)OC(=O)CCC[NH2+]CCS(=O)(=O)c1cccc(Br)c1 ZINC000568079434 564404602 /nfs/dbraw/zinc/40/46/02/564404602.db2.gz XXPIOOBGOAFMJS-UHFFFAOYSA-N 1 0 392.315 2.544 20 0 GFADRO [NH3+]CC12CCC(CC1)CN2C(=O)Cc1cccc(I)c1 ZINC000568150456 564406272 /nfs/dbraw/zinc/40/62/72/564406272.db2.gz IEYPGNYXGZWWMN-UHFFFAOYSA-N 1 0 384.261 2.564 20 0 GFADRO Cc1nn(C)cc1[C@H](C)[NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000568165140 564406966 /nfs/dbraw/zinc/40/69/66/564406966.db2.gz PHMJJITVYJTYDP-IINYFYTJSA-N 1 0 386.265 2.721 20 0 GFADRO CC(=O)c1cc(Br)ccc1OCC(=O)N(C)[C@H]1CN2CCC1CC2 ZINC000512671929 564407423 /nfs/dbraw/zinc/40/74/23/564407423.db2.gz DTXRUAFIQUNBDT-INIZCTEOSA-N 1 0 395.297 2.583 20 0 GFADRO COC(=O)[C@H](Sc1nnnn1CC[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000478558994 564407461 /nfs/dbraw/zinc/40/74/61/564407461.db2.gz UVSQJVSRTXRCSC-GFCCVEGCSA-N 1 0 390.296 2.548 20 0 GFADRO O=C(NC[C@@H]1CCC[N@H+]1CCCO)c1cc2cc(Br)ccc2[nH]1 ZINC000452356203 564408377 /nfs/dbraw/zinc/40/83/77/564408377.db2.gz ZVLWBSIRRYMKQZ-AWEZNQCLSA-N 1 0 380.286 2.507 20 0 GFADRO O=C(CCCc1ccccc1Br)NC[C@H]1CCC[N@H+]1CCCO ZINC000452361716 564408868 /nfs/dbraw/zinc/40/88/68/564408868.db2.gz KBRPLSKXSRKUTD-MRXNPFEDSA-N 1 0 383.330 2.735 20 0 GFADRO Cc1cc(Br)c(C(=O)NC[C@@H]2CCCC[N@@H+]2CCO)cc1Cl ZINC000452368887 564408926 /nfs/dbraw/zinc/40/89/26/564408926.db2.gz DNZYOVKKTQAPBR-LBPRGKRZSA-N 1 0 389.721 2.988 20 0 GFADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](Cc2cccc(I)c2)C1 ZINC000452370118 564408967 /nfs/dbraw/zinc/40/89/67/564408967.db2.gz OLKDOBZJMHONLL-GOEBONIOSA-N 1 0 398.288 2.776 20 0 GFADRO CN(Cc1ccc([S@](C)=O)cc1)C(=O)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000568197517 564409421 /nfs/dbraw/zinc/40/94/21/564409421.db2.gz ALAWFKRZJFUJEU-NSYGIPOTSA-N 1 0 380.579 2.600 20 0 GFADRO O=C(N[C@H]1CCC[N@@H+](CCCO)C1)c1cc2ccc(Br)cc2[nH]1 ZINC000452376205 564409960 /nfs/dbraw/zinc/40/99/60/564409960.db2.gz NWDOJAQOYNYWJF-AWEZNQCLSA-N 1 0 380.286 2.507 20 0 GFADRO O=C(NC[C@H]1CCC[N@H+]1CCCO)c1cc(F)c(Br)c(Cl)c1 ZINC000452376804 564410094 /nfs/dbraw/zinc/41/00/94/564410094.db2.gz ZHKRSZFVHXFYST-LLVKDONJSA-N 1 0 393.684 2.818 20 0 GFADRO O=C(N[C@H]1CCC[N@@H+](CCCO)C1)c1ccc(Br)c(Cl)c1F ZINC000452381568 564411810 /nfs/dbraw/zinc/41/18/10/564411810.db2.gz JVRVJKHEWPNSAX-JTQLQIEISA-N 1 0 393.684 2.818 20 0 GFADRO C[N@H+]1C[C@H]2CN(C(=O)c3ccc(Br)c(OC(F)(F)F)c3)C[C@H]2C1 ZINC000512795253 564411814 /nfs/dbraw/zinc/41/18/14/564411814.db2.gz PSYKIJKAVLGRPX-PHIMTYICSA-N 1 0 393.203 2.981 20 0 GFADRO O=C(NC[C@@H]1CCCC[N@H+]1CCO)c1cc2c(cccc2Br)[nH]1 ZINC000452397043 564412652 /nfs/dbraw/zinc/41/26/52/564412652.db2.gz ZBDFNTBLUMHWCR-LBPRGKRZSA-N 1 0 380.286 2.507 20 0 GFADRO C[C@@H]([NH2+]C[C@H]1CCCCN1S(C)(=O)=O)c1ccc(Br)s1 ZINC000512989375 564417191 /nfs/dbraw/zinc/41/71/91/564417191.db2.gz SWHYZTWBELDOJN-GHMZBOCLSA-N 1 0 381.361 2.975 20 0 GFADRO Cc1cc(Cl)ccc1S(=O)(=O)NCC[NH2+]Cc1c[nH]nc1C(C)(C)C ZINC000513013384 564417911 /nfs/dbraw/zinc/41/79/11/564417911.db2.gz YWWUJVPYNXMUBB-UHFFFAOYSA-N 1 0 384.933 2.737 20 0 GFADRO COCC[N@H+](C)CCCNC(=O)N(C)Cc1ccc(F)cc1Br ZINC000478926309 564418984 /nfs/dbraw/zinc/41/89/84/564418984.db2.gz CKANBYGKVUGJIM-UHFFFAOYSA-N 1 0 390.297 2.698 20 0 GFADRO O=S(=O)(C1CC1)N1CCC[C@@H]([NH2+]Cc2ccc(F)cc2Br)C1 ZINC000513093928 564419659 /nfs/dbraw/zinc/41/96/59/564419659.db2.gz FHYCEYJMLZYILV-CYBMUJFWSA-N 1 0 391.306 2.634 20 0 GFADRO O=S(=O)(C1CC1)N1CCC[C@@H]([NH2+]Cc2ccc(Br)cc2F)C1 ZINC000513096102 564419753 /nfs/dbraw/zinc/41/97/53/564419753.db2.gz RWUUUWGIMHIIIY-CYBMUJFWSA-N 1 0 391.306 2.634 20 0 GFADRO CCc1ccc(-c2csc(NC(=O)C(=O)NCC(C)(C)[NH+](C)C)n2)s1 ZINC000568468910 564420099 /nfs/dbraw/zinc/42/00/99/564420099.db2.gz AUGXKMDVIVXWOS-UHFFFAOYSA-N 1 0 380.539 2.829 20 0 GFADRO CNC(=O)COc1cccc(C[NH2+]Cc2cc(Br)c(OC)s2)c1 ZINC000513089141 564420230 /nfs/dbraw/zinc/42/02/30/564420230.db2.gz LXYASQCFDYZVCU-UHFFFAOYSA-N 1 0 399.310 2.934 20 0 GFADRO Cc1c(S(=O)(=O)NCC(C)(C)C[NH+](C)C)cnn1-c1ccc(Cl)cc1 ZINC000545387454 564420415 /nfs/dbraw/zinc/42/04/15/564420415.db2.gz VCCCFNCLXLITQO-UHFFFAOYSA-N 1 0 384.933 2.700 20 0 GFADRO CCN(C)C(=O)CC[NH2+][C@](C)(CC(=O)OC)c1ccc(Br)cc1 ZINC000513134387 564422111 /nfs/dbraw/zinc/42/21/11/564422111.db2.gz XPTJHFPDKZALDQ-QGZVFWFLSA-N 1 0 385.302 2.685 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)C(=O)NCC[N@@H+](CC)C(C)C ZINC000479028629 564422139 /nfs/dbraw/zinc/42/21/39/564422139.db2.gz WRVCHWPEMXUJFU-UHFFFAOYSA-N 1 0 384.318 2.797 20 0 GFADRO COc1cc(Br)cc(S(=O)(=O)NCC[NH+](C(C)C)C(C)C)c1 ZINC000545468032 564424501 /nfs/dbraw/zinc/42/45/01/564424501.db2.gz JOIJESURJGZECX-UHFFFAOYSA-N 1 0 393.347 2.855 20 0 GFADRO [NH3+]C1(C(=O)NCCCCSc2ccccc2Br)CCOCC1 ZINC000513229723 564424735 /nfs/dbraw/zinc/42/47/35/564424735.db2.gz DIHZBRGTXLSJRG-UHFFFAOYSA-N 1 0 387.343 2.946 20 0 GFADRO O=C(CCOc1cccc(Cl)c1Cl)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000452793148 564431645 /nfs/dbraw/zinc/43/16/45/564431645.db2.gz CXKSWJBYJZCUNZ-ZDUSSCGKSA-N 1 0 375.296 2.725 20 0 GFADRO CC(C)[C@H](CNC(=O)N[C@H](C)c1ncc(Br)cn1)[NH+]1CCCC1 ZINC000568727267 564431759 /nfs/dbraw/zinc/43/17/59/564431759.db2.gz ZCTKSISAOPXLJN-OCCSQVGLSA-N 1 0 384.322 2.720 20 0 GFADRO CCOc1cc(Br)ccc1NC(=O)NCCN1CCOC[C@H]1C ZINC000479314735 564435464 /nfs/dbraw/zinc/43/54/64/564435464.db2.gz HYSNAILLAYKZPT-GFCCVEGCSA-N 1 0 386.290 2.690 20 0 GFADRO O=C(COc1ccsc1Cl)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000513717174 564436625 /nfs/dbraw/zinc/43/66/25/564436625.db2.gz MFGOBRXBSQWYNH-SFHVURJKSA-N 1 0 380.897 2.534 20 0 GFADRO O=C1CCCCN1CCC[NH2+]C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000568857426 564438308 /nfs/dbraw/zinc/43/83/08/564438308.db2.gz CUVKUOFHFHIRES-CYBMUJFWSA-N 1 0 375.296 2.725 20 0 GFADRO CCOCCCN1CC[C@H]([NH2+]Cc2ccc(S(=O)(=O)CC)s2)[C@@H](C)C1 ZINC000479446071 564440783 /nfs/dbraw/zinc/44/07/83/564440783.db2.gz NKDUXRKQKOGYCX-RDJZCZTQSA-N 1 0 388.599 2.768 20 0 GFADRO COc1ccc(NC(=O)c2cnn([C@H]3CCC[NH2+]C3)c2)cc1Br ZINC000568987920 564443405 /nfs/dbraw/zinc/44/34/05/564443405.db2.gz UZFQQWYFEAOOBW-ZDUSSCGKSA-N 1 0 379.258 2.831 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCN(c4cc(Cl)ccc4Cl)C3=O)C[C@@H]21 ZINC000453034333 564444139 /nfs/dbraw/zinc/44/41/39/564444139.db2.gz KUTTYXFPMFYKLO-KFNAQCHYSA-N 1 0 382.291 2.509 20 0 GFADRO Cc1ccc(C[NH2+]CCC(=O)Nc2cccc(Br)c2)c(=O)n1C ZINC000568991282 564444320 /nfs/dbraw/zinc/44/43/20/564444320.db2.gz LXELIQFXLFVOTM-UHFFFAOYSA-N 1 0 378.270 2.575 20 0 GFADRO C[C@H]1CC[N@H+](CC(=O)NC[C@@H]2CCN(c3ccc(Br)cc3)C2)C1 ZINC000568997873 564444749 /nfs/dbraw/zinc/44/47/49/564444749.db2.gz OWLNOFNBQPLKRP-GJZGRUSLSA-N 1 0 380.330 2.733 20 0 GFADRO CCC[N@@H+]1CCC[C@@H]1C(=O)NCCc1cn2cc(Br)cc(C)c2n1 ZINC000546122133 564445466 /nfs/dbraw/zinc/44/54/66/564445466.db2.gz VKWNIVBKNWHMTQ-MRXNPFEDSA-N 1 0 393.329 2.938 20 0 GFADRO CN1CCN(C(=O)CC[N@@H+]2CC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)CC1 ZINC000514119034 564445575 /nfs/dbraw/zinc/44/55/75/564445575.db2.gz QEZKTELDWAMLTQ-HNNXBMFYSA-N 1 0 386.323 2.611 20 0 GFADRO COC(=O)c1ccc(Br)cc1C[N@H+](C)C[C@@H]1CCN(C(C)=O)C1 ZINC000514083991 564445807 /nfs/dbraw/zinc/44/58/07/564445807.db2.gz PEDQOEPRNWDHOP-ZDUSSCGKSA-N 1 0 383.286 2.536 20 0 GFADRO CCS(=O)(=O)N(C)CCC[NH2+]Cc1c(Cl)cc(Cl)cc1N(C)C ZINC000569037882 564446415 /nfs/dbraw/zinc/44/64/15/564446415.db2.gz MSNNBYPSUULRQO-UHFFFAOYSA-N 1 0 382.357 2.821 20 0 GFADRO CCN(CC)S(=O)(=O)CC[NH2+][C@@H](Cc1ccccc1Cl)[C@H]1CCCO1 ZINC000453100518 564446957 /nfs/dbraw/zinc/44/69/57/564446957.db2.gz MHPKBZGZHAJFIA-ZWKOTPCHSA-N 1 0 388.961 2.691 20 0 GFADRO O=C(Nc1ccc(Br)cc1)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000479680868 564447511 /nfs/dbraw/zinc/44/75/11/564447511.db2.gz YPDMRGWYDLEEMP-HZPDHXFCSA-N 1 0 382.302 2.948 20 0 GFADRO C[C@@H]([NH2+]C[C@@]1(CCO)CCOC1)c1ccc(F)c(I)c1 ZINC000453129860 564447858 /nfs/dbraw/zinc/44/78/58/564447858.db2.gz BJUPHXHGPXXGSU-IAQYHMDHSA-N 1 0 393.240 2.870 20 0 GFADRO CC(C)c1cc(Br)ccc1NC(=O)C(=O)N1CCC[C@H](C[NH3+])C1 ZINC000514588649 564449509 /nfs/dbraw/zinc/44/95/09/564449509.db2.gz QHYPCZMQEGDESO-GFCCVEGCSA-N 1 0 382.302 2.708 20 0 GFADRO COC1([C@H](C)[NH2+]C[C@H](CO)Cc2cccc(Br)c2)CCOCC1 ZINC000453201684 564449889 /nfs/dbraw/zinc/44/98/89/564449889.db2.gz CGDYAWBPRSDXIT-GOEBONIOSA-N 1 0 386.330 2.774 20 0 GFADRO COc1cc(Br)c(C(=O)N2[C@@H]3CC[C@H]2CC[N@@H+](C)C3)cc1OC ZINC000569117497 564450161 /nfs/dbraw/zinc/45/01/61/564450161.db2.gz LQKYRLQNVJXSAA-NWDGAFQWSA-N 1 0 383.286 2.775 20 0 GFADRO O=S1(=O)CCC(O)(C[NH2+][C@H](c2c(Cl)cccc2Cl)C2CC2)CC1 ZINC000569158551 564452103 /nfs/dbraw/zinc/45/21/03/564452103.db2.gz WWATVSCLSIEZTM-HNNXBMFYSA-N 1 0 378.321 2.974 20 0 GFADRO C[C@H](NCc1nn(C)cc1Br)c1cccc(OCC[NH+](C)C)c1 ZINC000453313828 564453272 /nfs/dbraw/zinc/45/32/72/564453272.db2.gz XEFFYWGWAJAJLV-ZDUSSCGKSA-N 1 0 381.318 2.974 20 0 GFADRO COc1ccc(C[C@H](CO)C[NH2+][C@H](C)c2nccn2C)cc1Br ZINC000453340353 564454105 /nfs/dbraw/zinc/45/41/05/564454105.db2.gz BQWBTCKMXDCCMW-OCCSQVGLSA-N 1 0 382.302 2.693 20 0 GFADRO C[N@@H+](Cc1ccc(Br)c(F)c1)C[C@H](O)COC[C@@H]1CCCO1 ZINC000514703651 564454683 /nfs/dbraw/zinc/45/46/83/564454683.db2.gz NMCZRDRPWGFMCD-KBPBESRZSA-N 1 0 376.266 2.577 20 0 GFADRO C[C@@H]([NH2+]C[C@@H](CO)Cc1cc(Br)ccc1F)C(C)(C)n1cncn1 ZINC000453367327 564455023 /nfs/dbraw/zinc/45/50/23/564455023.db2.gz MCDAVDDRIHPCTQ-OLZOCXBDSA-N 1 0 399.308 2.744 20 0 GFADRO COc1ccc(Br)cc1C[C@@H](CO)C[NH2+][C@@H](C)Cc1cnccn1 ZINC000453369821 564455061 /nfs/dbraw/zinc/45/50/61/564455061.db2.gz NHYQFGCGWRYAHE-UONOGXRCSA-N 1 0 394.313 2.620 20 0 GFADRO C[C@H](Cc1cnccn1)[NH2+]C[C@@H](CO)Cc1ccc(F)c(Br)c1 ZINC000453369018 564455158 /nfs/dbraw/zinc/45/51/58/564455158.db2.gz NEONOBGAPBHPAY-OCCSQVGLSA-N 1 0 382.277 2.750 20 0 GFADRO C[C@@H]([NH2+]CCn1cc(Br)cn1)[C@H](c1ccccc1)N1CCOCC1 ZINC000514744587 564455487 /nfs/dbraw/zinc/45/54/87/564455487.db2.gz FNVQDKQKROWQAB-CRAIPNDOSA-N 1 0 393.329 2.697 20 0 GFADRO O=S(=O)(C[C@@H](O)C[NH2+]CCc1ccc(F)cc1Cl)c1cccs1 ZINC000569281156 564457022 /nfs/dbraw/zinc/45/70/22/564457022.db2.gz NQAXVUQIRWNDMU-ZDUSSCGKSA-N 1 0 377.890 2.508 20 0 GFADRO C[C@@H]1C[C@@H]1[N@@H+]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C)C[C@@H](C)C1 ZINC000453442143 564457250 /nfs/dbraw/zinc/45/72/50/564457250.db2.gz FOCXXJODACDNKD-ZOWXZIJZSA-N 1 0 393.333 2.739 20 0 GFADRO C[C@@H](C(=O)N1CCC[C@H](n2cc(C[NH3+])nn2)C1)c1ccc(Br)s1 ZINC000514787655 564457419 /nfs/dbraw/zinc/45/74/19/564457419.db2.gz ATOABZWCCWGMOF-PWSUYJOCSA-N 1 0 398.330 2.528 20 0 GFADRO CC[NH+](CC)CC[C@H](CO)NC(=O)c1c(F)cc(Br)cc1F ZINC000514796027 564458271 /nfs/dbraw/zinc/45/82/71/564458271.db2.gz AKEKVNAISSVARO-LLVKDONJSA-N 1 0 379.245 2.550 20 0 GFADRO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000569325732 564458825 /nfs/dbraw/zinc/45/88/25/564458825.db2.gz NWOOYXPGMIBSSD-INIZCTEOSA-N 1 0 384.307 2.649 20 0 GFADRO COC(=O)CC[N@H+](CCCC(=O)N(C)C)Cc1cccc(Br)c1 ZINC000569351520 564459970 /nfs/dbraw/zinc/45/99/70/564459970.db2.gz GLSJCWUQGSFZFE-UHFFFAOYSA-N 1 0 385.302 2.683 20 0 GFADRO CC[NH+](CC)[C@@H](C)CNC(=O)C(=O)Nc1cc(Cl)cc(Br)c1 ZINC000453615998 564459929 /nfs/dbraw/zinc/45/99/29/564459929.db2.gz WVBRWDQHUMXIQL-JTQLQIEISA-N 1 0 390.709 2.888 20 0 GFADRO Cc1cc(Cl)cc(NC(=O)C(=O)NCC[NH+]2CCCC2)c1Br ZINC000453651185 564461774 /nfs/dbraw/zinc/46/17/74/564461774.db2.gz XYUXBNMDIXILGK-UHFFFAOYSA-N 1 0 388.693 2.561 20 0 GFADRO CCCN(CC)CC[NH2+][C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000480165361 564462062 /nfs/dbraw/zinc/46/20/62/564462062.db2.gz PXAYNLBSXUSHCH-OAHLLOKOSA-N 1 0 389.359 2.989 20 0 GFADRO COc1ccc(S(=O)(=O)N2CCC([NH2+][C@H](C)CC(F)(F)F)CC2)cc1 ZINC000546649478 564464206 /nfs/dbraw/zinc/46/42/06/564464206.db2.gz SEDTZXSGFPVGSO-GFCCVEGCSA-N 1 0 380.432 2.779 20 0 GFADRO CN(C(=O)NCC[C@@H]1CC[NH2+]C1)[C@H]1CCOc2ccc(Br)cc21 ZINC000569458753 564464670 /nfs/dbraw/zinc/46/46/70/564464670.db2.gz AGQKREFUSYDNNJ-WFASDCNBSA-N 1 0 382.302 2.914 20 0 GFADRO Cn1cc(CCC[NH2+][C@@H]2CCS(=O)(=O)c3ccc(Br)cc32)cn1 ZINC000480251820 564465648 /nfs/dbraw/zinc/46/56/48/564465648.db2.gz ICHVFWSMALDUEX-OAHLLOKOSA-N 1 0 398.326 2.624 20 0 GFADRO C[C@H](CC[NH+]1CCN(C)CC1)Nc1ncnc2cc(F)c(Br)cc21 ZINC000546732173 564465867 /nfs/dbraw/zinc/46/58/67/564465867.db2.gz QDSZKSDUMHXLED-GFCCVEGCSA-N 1 0 396.308 2.969 20 0 GFADRO CCC[C@@](C)(O)C[NH2+][C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000480264612 564466901 /nfs/dbraw/zinc/46/69/01/564466901.db2.gz WDGJIDXDYRNDES-UKRRQHHQSA-N 1 0 376.316 2.808 20 0 GFADRO CN(C)C(C)(C)C[NH2+][C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000480339532 564469301 /nfs/dbraw/zinc/46/93/01/564469301.db2.gz WGNYNMXHZQMUNT-CYBMUJFWSA-N 1 0 375.332 2.597 20 0 GFADRO COC[C@@H](C)OC[C@@H](O)C[NH2+]CCc1cc(Cl)ccc1Br ZINC000569569089 564469557 /nfs/dbraw/zinc/46/95/57/564469557.db2.gz VJPMHMGOEMFFNV-RISCZKNCSA-N 1 0 380.710 2.647 20 0 GFADRO Cc1cccc(NC(=O)C(=O)N2CC[N@@H+](C3CC3)C[C@H](C)C2)c1Br ZINC000453764999 564470433 /nfs/dbraw/zinc/47/04/33/564470433.db2.gz DRNSALGPPKNPPQ-LBPRGKRZSA-N 1 0 394.313 2.639 20 0 GFADRO O=S(=O)(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(Br)o1 ZINC000480410589 564471859 /nfs/dbraw/zinc/47/18/59/564471859.db2.gz NQUDEHDWCUIZSN-AWEZNQCLSA-N 1 0 399.310 2.843 20 0 GFADRO CN1CCO[C@H](CSCc2csc(CC(=O)Nc3ccccc3)n2)C1 ZINC000569693140 564474154 /nfs/dbraw/zinc/47/41/54/564474154.db2.gz VYHPMGZLJWMTGX-INIZCTEOSA-N 1 0 377.535 2.888 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccccc1-n1cc(Br)cn1 ZINC000515365559 564476721 /nfs/dbraw/zinc/47/67/21/564476721.db2.gz AJADDUMLJKQRJE-WBVHZDCISA-N 1 0 389.297 2.991 20 0 GFADRO CC[NH+]1CCN(c2ccc(CNCc3ccc(Br)o3)cn2)CC1 ZINC000480635210 564479994 /nfs/dbraw/zinc/47/99/94/564479994.db2.gz KEOHMSXJUQQKKG-UHFFFAOYSA-N 1 0 379.302 2.869 20 0 GFADRO Cc1ncc2c(n1)CC[N@@H+](CCC(=O)Nc1ccc(Br)cc1)C2 ZINC000515546117 564482232 /nfs/dbraw/zinc/48/22/32/564482232.db2.gz IUVUCQIYEZODQH-UHFFFAOYSA-N 1 0 375.270 2.934 20 0 GFADRO Cc1cc(F)c(Br)cc1S(=O)(=O)N1CCC[C@H]1C[NH+](C)C ZINC000480701153 564483243 /nfs/dbraw/zinc/48/32/43/564483243.db2.gz FCGLDBFNPDYLFK-NSHDSACASA-N 1 0 379.295 2.611 20 0 GFADRO [NH3+][C@H]1CCCO[C@H]1C1CCN(S(=O)(=O)Cc2cc(Cl)ccc2F)CC1 ZINC000515622796 564483608 /nfs/dbraw/zinc/48/36/08/564483608.db2.gz GDCHDADMGCPLBA-IRXDYDNUSA-N 1 0 390.908 2.527 20 0 GFADRO Ic1cccc2ncnc(N3CC[C@H]([NH+]4CC=CC4)C3)c12 ZINC000547290303 564483805 /nfs/dbraw/zinc/48/38/05/564483805.db2.gz MFNZADLAEJPLGV-LBPRGKRZSA-N 1 0 392.244 2.685 20 0 GFADRO C[C@H](CN(C)C(=O)NC[C@@H]1C[NH2+]CCCO1)Oc1ccc(Cl)c(Cl)c1 ZINC000569912446 564484209 /nfs/dbraw/zinc/48/42/09/564484209.db2.gz USHHNIYWOZEMBD-OCCSQVGLSA-N 1 0 390.311 2.781 20 0 GFADRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)NCc2cc(Br)cc3c2OCC3)C1 ZINC000547315144 564484541 /nfs/dbraw/zinc/48/45/41/564484541.db2.gz QPKUECPHEFCXKX-ZDUSSCGKSA-N 1 0 396.329 2.914 20 0 GFADRO C[C@@H](C(=O)Nc1ccccc1Br)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000515650016 564484616 /nfs/dbraw/zinc/48/46/16/564484616.db2.gz ZWUBQBTZNZSEKG-MJEQTWJJSA-N 1 0 396.329 2.604 20 0 GFADRO C[C@@H]([NH3+])C[C@H](C)NC(=O)N(CCn1ccnc1)Cc1ccc(Br)o1 ZINC000515644692 564484752 /nfs/dbraw/zinc/48/47/52/564484752.db2.gz HBRNUPSZLSAUPK-OLZOCXBDSA-N 1 0 398.305 2.576 20 0 GFADRO CCN(C)C(=O)C[NH2+][C@H]1CCCOc2ccc(I)cc21 ZINC000480726083 564485079 /nfs/dbraw/zinc/48/50/79/564485079.db2.gz LBQOIDMAKPNJKS-ZDUSSCGKSA-N 1 0 388.249 2.573 20 0 GFADRO C[NH+](C)CC1(NC(=O)c2ccc(S(=O)(=O)c3ccccc3)s2)CCC1 ZINC000547373454 564486296 /nfs/dbraw/zinc/48/62/96/564486296.db2.gz JOTAJFRUAKFCSY-UHFFFAOYSA-N 1 0 378.519 2.795 20 0 GFADRO CC(C)(CNS(=O)(=O)c1cc2c(cc1Cl)OCCO2)C[NH+]1CCCC1 ZINC000480757825 564486610 /nfs/dbraw/zinc/48/66/10/564486610.db2.gz MLZPWKRAXQVRMK-UHFFFAOYSA-N 1 0 388.917 2.512 20 0 GFADRO C[C@H]1CN(C(=O)CNC(=O)c2ccc(Cl)c(Cl)c2)CC[N@@H+](C2CC2)C1 ZINC000570017562 564487868 /nfs/dbraw/zinc/48/78/68/564487868.db2.gz LDINXLPTTZWPBL-GFCCVEGCSA-N 1 0 384.307 2.666 20 0 GFADRO C[C@@H](NC(=O)C[NH2+]C(C)(C)c1cnn(C)c1)c1ccc(Br)cc1 ZINC000547414297 564487958 /nfs/dbraw/zinc/48/79/58/564487958.db2.gz RBUYFZJZGCWZTC-GFCCVEGCSA-N 1 0 379.302 2.885 20 0 GFADRO CN(Cc1cc(Br)cs1)C(=O)C[NH2+]C(C)(C)c1cnn(C)c1 ZINC000547413325 564488031 /nfs/dbraw/zinc/48/80/31/564488031.db2.gz LCWPMACDIIHFFY-UHFFFAOYSA-N 1 0 385.331 2.727 20 0 GFADRO C[NH+](C)CCn1ccc(C(=O)N2CCCc3cc(Br)ccc32)n1 ZINC000516191842 564496254 /nfs/dbraw/zinc/49/62/54/564496254.db2.gz LODYGIIVFYPSSA-UHFFFAOYSA-N 1 0 377.286 2.800 20 0 GFADRO C[N@H+](CCCCNC(=O)C(=O)Nc1cc(Br)ccc1F)C1CC1 ZINC000454116210 564498487 /nfs/dbraw/zinc/49/84/87/564498487.db2.gz XBQSVDWHBYJSGQ-UHFFFAOYSA-N 1 0 386.265 2.517 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C(C)C)C2)cc1Br ZINC000454112549 564499011 /nfs/dbraw/zinc/49/90/11/564499011.db2.gz VOLLWJAQYSHWMO-AWEZNQCLSA-N 1 0 396.329 2.946 20 0 GFADRO COCCOc1ccc(Br)cc1NC(=O)NC1CC[NH+](C)CC1 ZINC000480997112 564499720 /nfs/dbraw/zinc/49/97/20/564499720.db2.gz HPGVKCVJCZTWMM-UHFFFAOYSA-N 1 0 386.290 2.690 20 0 GFADRO C[C@H]([NH2+]C[C@@H]1CC(=O)N(C2CC2)C1)c1ccc(I)cc1 ZINC000570285955 564500125 /nfs/dbraw/zinc/50/01/25/564500125.db2.gz KBCCOGFUURGIQO-RYUDHWBXSA-N 1 0 384.261 2.953 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)c1cc(-c2ccc(Br)cc2)n[nH]1)C1CC1 ZINC000516402761 564501753 /nfs/dbraw/zinc/50/17/53/564501753.db2.gz SMJASXGLDRVTKD-MRXNPFEDSA-N 1 0 377.286 2.909 20 0 GFADRO Cn1cc(Br)c(CNC(=O)NCC2([NH+](C)C)CCCCCC2)n1 ZINC000454213923 564502903 /nfs/dbraw/zinc/50/29/03/564502903.db2.gz GKSUQFVAWZDYSR-UHFFFAOYSA-N 1 0 386.338 2.636 20 0 GFADRO Cc1cc(F)c(Br)cc1NC[C@H](O)C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000570390842 564503559 /nfs/dbraw/zinc/50/35/59/564503559.db2.gz QJJPYTHFPIKQHF-AVGNSLFASA-N 1 0 375.282 2.779 20 0 GFADRO CC(C)COC[C@@H](O)C[NH2+][C@H](C)c1ccccc1I ZINC000481169934 564504821 /nfs/dbraw/zinc/50/48/21/564504821.db2.gz CNSXIRPUEJMACV-OLZOCXBDSA-N 1 0 377.266 2.975 20 0 GFADRO COC(=O)c1cccc(NC(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)c1Br ZINC000570424838 564505358 /nfs/dbraw/zinc/50/53/58/564505358.db2.gz DBJQXTBQIIJPGO-KRWDZBQOSA-N 1 0 396.285 2.843 20 0 GFADRO C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+]1CCC[C@@H](CO)CC1 ZINC000570424504 564505425 /nfs/dbraw/zinc/50/54/25/564505425.db2.gz YDVVBFQGVOQBJH-GOEBONIOSA-N 1 0 383.330 2.890 20 0 GFADRO C[C@H]1OCC[C@H]1[N@H+](CCO)Cc1ccnc(-c2ccc(Br)cc2)n1 ZINC000570505635 564509373 /nfs/dbraw/zinc/50/93/73/564509373.db2.gz SRMGAWLDZUUKSM-CXAGYDPISA-N 1 0 392.297 2.878 20 0 GFADRO C[C@@H]([NH2+]C[C@@H]1CCN(CC(F)(F)F)C1)c1cccc(NS(C)(=O)=O)c1 ZINC000481321670 564510208 /nfs/dbraw/zinc/51/02/08/564510208.db2.gz LBWGVJVYTHUKPU-OLZOCXBDSA-N 1 0 379.448 2.593 20 0 GFADRO O=C1NC2(CCCC2)C(=O)N1CC[NH2+][C@H]1CCc2c1cccc2Br ZINC000547830781 564512463 /nfs/dbraw/zinc/51/24/63/564512463.db2.gz ZQMZNHBJHDGSQN-HNNXBMFYSA-N 1 0 392.297 2.891 20 0 GFADRO Cc1nnc([C@@H]2CC[N@H+](CCC(=O)Nc3ccccc3Br)C2)[nH]1 ZINC000570612460 564514762 /nfs/dbraw/zinc/51/47/62/564514762.db2.gz RKNDOQOKEPAGHP-GFCCVEGCSA-N 1 0 378.274 2.694 20 0 GFADRO C[N@@H+]1CCC[C@]2(CCN(S(=O)(=O)c3ccc(F)c(Br)c3)C2)C1 ZINC000570651125 564515150 /nfs/dbraw/zinc/51/51/50/564515150.db2.gz QEJNCKGNYOJYIF-HNNXBMFYSA-N 1 0 391.306 2.695 20 0 GFADRO C[NH+](C)[C@@]1(CNC(=O)N2CC(C)(C)O[C@](C)(C(F)(F)F)C2)CCSC1 ZINC000454591975 564515371 /nfs/dbraw/zinc/51/53/71/564515371.db2.gz ARRTURKPTUNFHJ-LSDHHAIUSA-N 1 0 383.480 2.565 20 0 GFADRO C[NH+](C)[C@@]1(CNC(=O)N2CCO[C@H](c3ccc(Cl)cc3)C2)CCSC1 ZINC000454605513 564515748 /nfs/dbraw/zinc/51/57/48/564515748.db2.gz MZONSQOWUSONDC-FUHWJXTLSA-N 1 0 383.945 2.860 20 0 GFADRO C[C@H](C[C@@H]1CCCO1)[NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000570675950 564516312 /nfs/dbraw/zinc/51/63/12/564516312.db2.gz VXUPUIXIWCZLJU-DFBGVHRSSA-N 1 0 376.266 2.875 20 0 GFADRO Cc1nn(C)c(C)c1CCC[NH2+]C[C@@H](O)COc1cccc(Br)c1 ZINC000516922682 564517219 /nfs/dbraw/zinc/51/72/19/564517219.db2.gz MENMYXLBZFKOSD-MRXNPFEDSA-N 1 0 396.329 2.762 20 0 GFADRO Cc1nc(CNC(=O)N[C@@H]2C[N@H+](C(C)C)C[C@H]2C)sc1Br ZINC000454662709 564517692 /nfs/dbraw/zinc/51/76/92/564517692.db2.gz HWSJSCGMBVEPAU-MWLCHTKSSA-N 1 0 375.336 2.742 20 0 GFADRO CC[NH+]1CCC(CNC(=O)NCC(=O)Nc2cc(Cl)ccc2Cl)CC1 ZINC000570828678 564523669 /nfs/dbraw/zinc/52/36/69/564523669.db2.gz XNNOKIGEJRIJDH-UHFFFAOYSA-N 1 0 387.311 2.963 20 0 GFADRO C[N@@H+]1CCC[C@@H]1CNC(=O)Nc1cc(F)c(I)c(F)c1 ZINC000517103548 564524175 /nfs/dbraw/zinc/52/41/75/564524175.db2.gz HIXMDQQNQHZCFM-SECBINFHSA-N 1 0 395.191 2.785 20 0 GFADRO C[NH+](C)[C@]1(CNC(=O)N2CCO[C@@H](c3ccccc3Cl)C2)CCSC1 ZINC000481788961 564524220 /nfs/dbraw/zinc/52/42/20/564524220.db2.gz PCJHAHUHPMMNQD-AEFFLSMTSA-N 1 0 383.945 2.860 20 0 GFADRO CC[C@H](Cc1ccccc1Br)[N@H+](C)CCNS(=O)(=O)CC ZINC000481843165 564524976 /nfs/dbraw/zinc/52/49/76/564524976.db2.gz TVCUDTHLGPDYLT-CQSZACIVSA-N 1 0 377.348 2.641 20 0 GFADRO C[C@@H](CNC(=O)NCc1ccc(I)cc1Cl)[NH+](C)C ZINC000454884996 564525704 /nfs/dbraw/zinc/52/57/04/564525704.db2.gz CIJCIGYIBQOODB-VIFPVBQESA-N 1 0 395.672 2.694 20 0 GFADRO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@H]1CCn2ccnc2C1 ZINC000547979824 564526583 /nfs/dbraw/zinc/52/65/83/564526583.db2.gz QBVMGGIEYZVVAV-DOMZBBRYSA-N 1 0 377.286 2.967 20 0 GFADRO CN1CC[NH+](CCCCNC(=O)c2c[nH]nc2-c2ccc(Cl)s2)CC1 ZINC000547990421 564527484 /nfs/dbraw/zinc/52/74/84/564527484.db2.gz MQZAGDBXGQLTFV-UHFFFAOYSA-N 1 0 381.933 2.549 20 0 GFADRO C[C@H](Cc1ccccc1C(F)(F)F)[NH2+]CCS(=O)(=O)N1CCSCC1 ZINC000481930037 564527690 /nfs/dbraw/zinc/52/76/90/564527690.db2.gz YQCUHNKMEHKIOW-CYBMUJFWSA-N 1 0 396.500 2.605 20 0 GFADRO COc1cc2[nH+]ccc(N[C@@H]3C[C@H]4CCCCN4C3=O)c2cc1Br ZINC000570922885 564528159 /nfs/dbraw/zinc/52/81/59/564528159.db2.gz RZAANEZMJKRGBV-BDJLRTHQSA-N 1 0 390.281 2.993 20 0 GFADRO O=C(Nc1nnc(C2CCOCC2)s1)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000570940751 564528614 /nfs/dbraw/zinc/52/86/14/564528614.db2.gz IBVFJESAHNYVPF-CQSZACIVSA-N 1 0 382.555 2.588 20 0 GFADRO O=S(=O)(Cc1cc(Cl)ccc1Br)NCC[C@@H]1CC[NH2+]C1 ZINC000517369605 564531945 /nfs/dbraw/zinc/53/19/45/564531945.db2.gz AJQWJRVSAWQGMV-JTQLQIEISA-N 1 0 381.723 2.522 20 0 GFADRO Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)NC(=O)C[N@H+](C)[C@@H]1CCSC1 ZINC000482055856 564532442 /nfs/dbraw/zinc/53/24/42/564532442.db2.gz ZUHXPMSVHXDHBS-GXFFZTMASA-N 1 0 378.464 2.677 20 0 GFADRO O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)N1CCc2sc(Cl)cc2C1 ZINC000571041550 564533437 /nfs/dbraw/zinc/53/34/37/564533437.db2.gz VYEPXNAUXKYBEA-ZDUSSCGKSA-N 1 0 383.945 2.970 20 0 GFADRO C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CC(=O)N(c3cc(Cl)cc(Cl)c3)C2)C1 ZINC000517457157 564534894 /nfs/dbraw/zinc/53/48/94/564534894.db2.gz YNXFCJPTTMWNLZ-OLZOCXBDSA-N 1 0 384.307 2.804 20 0 GFADRO O=C(Cn1cc(Br)cn1)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000517450336 564534905 /nfs/dbraw/zinc/53/49/05/564534905.db2.gz IHIMJTSDDXREOK-UHFFFAOYSA-N 1 0 395.276 2.566 20 0 GFADRO CC(C)NC(=O)NCC[NH+]1CCC(Oc2cccc(Br)c2)CC1 ZINC000517561590 564536337 /nfs/dbraw/zinc/53/63/37/564536337.db2.gz FCHCFWLBCYCHBF-UHFFFAOYSA-N 1 0 384.318 3.000 20 0 GFADRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)NCCC(=O)Nc1ccc(Br)cc1 ZINC000517552507 564536828 /nfs/dbraw/zinc/53/68/28/564536828.db2.gz PGUSNVCKXRQLNM-OAHLLOKOSA-N 1 0 397.317 2.513 20 0 GFADRO CCc1nocc1C[NH2+]CCc1ccc(S(=O)(=O)N2CCCCC2)s1 ZINC000517593556 564537411 /nfs/dbraw/zinc/53/74/11/564537411.db2.gz HCNODTYIOSRGCO-UHFFFAOYSA-N 1 0 383.539 2.805 20 0 GFADRO CC(C)[NH+](CCNC(=O)C(=O)NCCc1c(Cl)cccc1Cl)C(C)C ZINC000517761809 564542381 /nfs/dbraw/zinc/54/23/81/564542381.db2.gz VKMVYLDTRGCWOQ-UHFFFAOYSA-N 1 0 388.339 2.887 20 0 GFADRO O=C(NC[C@H]1CCN(c2cccc(Br)c2)C1)NC[C@@H]1CCC[NH2+]C1 ZINC000517899520 564543233 /nfs/dbraw/zinc/54/32/33/564543233.db2.gz UKYZGDNSYICHDE-HUUCEWRRSA-N 1 0 395.345 2.574 20 0 GFADRO COCC[NH+](CCOC)C1CCN(C(=O)Nc2ccsc2Cl)CC1 ZINC000482499503 564543640 /nfs/dbraw/zinc/54/36/40/564543640.db2.gz JLECBTUJWCAVRV-UHFFFAOYSA-N 1 0 375.922 2.993 20 0 GFADRO CC[N@@H+]1C[C@@H](C)N(C(=O)NCc2nc(C)c(Br)s2)C[C@H]1C ZINC000455227620 564544187 /nfs/dbraw/zinc/54/41/87/564544187.db2.gz IMDMXQDMPULGIK-NXEZZACHSA-N 1 0 375.336 2.838 20 0 GFADRO O[C@H](C[NH2+]CCCCn1ccnc1)COc1cc(F)cc(Br)c1 ZINC000571315485 564545818 /nfs/dbraw/zinc/54/58/18/564545818.db2.gz IMSXYVRQFVLHGD-OAHLLOKOSA-N 1 0 386.265 2.594 20 0 GFADRO CC[NH2+]CCCNC(=O)NCc1cc(Br)ccc1OC(F)F ZINC000518139621 564546832 /nfs/dbraw/zinc/54/68/32/564546832.db2.gz NDHYRGATUKJMNQ-UHFFFAOYSA-N 1 0 380.233 2.849 20 0 GFADRO O=C(NC[C@H]1CCC[N@H+]1CCCO)Nc1cc(F)cc(Br)c1F ZINC000455290719 564547689 /nfs/dbraw/zinc/54/76/89/564547689.db2.gz ARQHMTJVULEHNA-LLVKDONJSA-N 1 0 392.244 2.696 20 0 GFADRO CC(C)(CCC[NH3+])NC(=O)CCNC(=O)Nc1ccc(Br)cc1 ZINC000518167737 564547934 /nfs/dbraw/zinc/54/79/34/564547934.db2.gz BXUHVZOVVNQFNY-UHFFFAOYSA-N 1 0 385.306 2.594 20 0 GFADRO COc1ccc(Br)c(C[N@@H+]2CC[C@H](C(=O)NCC(F)(F)F)C2)c1 ZINC000548312886 564548045 /nfs/dbraw/zinc/54/80/45/564548045.db2.gz CHUKVJIXPFUQFQ-JTQLQIEISA-N 1 0 395.219 2.958 20 0 GFADRO CN(C(=O)CCC[S@@](=O)c1ccc(Br)cc1)[C@H](C[NH3+])C1CC1 ZINC000571395288 564549043 /nfs/dbraw/zinc/54/90/43/564549043.db2.gz XRZJQBCZJOGTHI-IVZQSRNASA-N 1 0 387.343 2.533 20 0 GFADRO [NH3+][C@H](CNC(=O)NCc1cc(Br)cc2c1OCC2)c1ccccc1 ZINC000571420015 564550732 /nfs/dbraw/zinc/55/07/32/564550732.db2.gz OKBMGLHOCIORIQ-MRXNPFEDSA-N 1 0 390.281 2.883 20 0 GFADRO C[NH+](C)CC1(CNS(=O)(=O)Cc2ccccc2Br)CCCC1 ZINC000571426702 564550867 /nfs/dbraw/zinc/55/08/67/564550867.db2.gz ZKZIDLJKFSLJFC-UHFFFAOYSA-N 1 0 389.359 2.991 20 0 GFADRO CS[C@@H](C[NH2+]C1CCN(S(=O)(=O)c2c(C)n[nH]c2C)CC1)C(C)(C)C ZINC000548504595 564554819 /nfs/dbraw/zinc/55/48/19/564554819.db2.gz SYGBNTRAAZHAKL-HNNXBMFYSA-N 1 0 388.603 2.547 20 0 GFADRO O=C([C@H]1C[N@@H+]2CCN1CCC2)N1CCC[C@H]1c1ccc(Br)cc1 ZINC000482998564 564555858 /nfs/dbraw/zinc/55/58/58/564555858.db2.gz WRBDCSLOPTVXSA-DLBZAZTESA-N 1 0 378.314 2.503 20 0 GFADRO C[C@H]1CC[C@H](C)[NH+]1CC(=O)N(CCO)Cc1ccc(Br)s1 ZINC000483003508 564555954 /nfs/dbraw/zinc/55/59/54/564555954.db2.gz HAZCMMDGJIZEHG-RYUDHWBXSA-N 1 0 375.332 2.704 20 0 GFADRO CC(C)C[C@@](C)([NH2+]C[C@@H](O)CN1CCOCC1)c1cccc(Br)c1 ZINC000483055928 564557164 /nfs/dbraw/zinc/55/71/64/564557164.db2.gz URHBFMRYZHYFLE-RTBURBONSA-N 1 0 399.373 2.993 20 0 GFADRO C[C@@H](NC(=O)Cc1ccc(NC(=O)c2ccc(Br)o2)cc1)[C@H](C)[NH3+] ZINC000571561458 564557331 /nfs/dbraw/zinc/55/73/31/564557331.db2.gz YPQIRRGWWGCBHN-WDEREUQCSA-N 1 0 394.269 2.689 20 0 GFADRO CN(CCCN1CC[NH+](C)CC1)C(=O)[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000455585080 564558669 /nfs/dbraw/zinc/55/86/69/564558669.db2.gz CEGFYUKUASSFEW-ZWKOTPCHSA-N 1 0 394.357 2.649 20 0 GFADRO COc1ccc(CN(CC[NH+](C)C)C[C@@H]2CCCO2)c(Br)c1O ZINC000518746318 564560417 /nfs/dbraw/zinc/56/04/17/564560417.db2.gz RFEXLANHLUDSHL-AWEZNQCLSA-N 1 0 387.318 2.706 20 0 GFADRO CCOC(=O)c1c(NC(=O)N2CCC[C@@H](C[NH3+])C2)sc2c1CCSC2 ZINC000518728540 564560975 /nfs/dbraw/zinc/56/09/75/564560975.db2.gz YCVGDCLFFRHOPR-NSHDSACASA-N 1 0 383.539 2.917 20 0 GFADRO O=C(CNC(=O)c1ccc(-c2cc(Cl)cc(Cl)c2)s1)N1CC[NH2+]CC1 ZINC000518756553 564561353 /nfs/dbraw/zinc/56/13/53/564561353.db2.gz QAQXRRCJWDQLDX-UHFFFAOYSA-N 1 0 398.315 2.884 20 0 GFADRO C[NH+](C)CCOC1CCN(C(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)CC1 ZINC000483276895 564562560 /nfs/dbraw/zinc/56/25/60/564562560.db2.gz PPTRRIXOFAVGMT-UHFFFAOYSA-N 1 0 388.295 2.501 20 0 GFADRO CS[C@@H]1CN(C(=O)Cc2csc(-c3ccoc3)n2)C[C@@H]1[NH+]1CCCC1 ZINC000483395130 564566646 /nfs/dbraw/zinc/56/66/46/564566646.db2.gz OOCKSOPEYAPJMN-JKSUJKDBSA-N 1 0 377.535 2.984 20 0 GFADRO CS[C@@H]1CN(C(=O)Cc2cc(Cl)cc3c2OCC3)C[C@H]1[NH+]1CCCC1 ZINC000483399126 564566683 /nfs/dbraw/zinc/56/66/83/564566683.db2.gz YXHMKULMGOPXAQ-IAGOWNOFSA-N 1 0 380.941 2.856 20 0 GFADRO CS[C@@H]1CN(C(=O)[C@@H](c2cccc(Cl)c2)N(C)C)C[C@H]1[NH+]1CCCC1 ZINC000483407850 564567030 /nfs/dbraw/zinc/56/70/30/564567030.db2.gz RYYXWFMPMNYMGJ-KZNAEPCWSA-N 1 0 381.973 2.981 20 0 GFADRO CCCC[N@H+](C)C[C@H](C)NC(=O)C(=O)Nc1ccc(Br)cc1F ZINC000519029060 564568646 /nfs/dbraw/zinc/56/86/46/564568646.db2.gz UQCRGPLWFXHHJF-NSHDSACASA-N 1 0 388.281 2.763 20 0 GFADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(CCOc2ccc(Cl)cc2Cl)CC1 ZINC000483506021 564569565 /nfs/dbraw/zinc/56/95/65/564569565.db2.gz FRDOGBAFKPVXAC-INIZCTEOSA-N 1 0 386.323 2.611 20 0 GFADRO NC(=O)[C@@H]([NH2+]CCNc1ccc([N+](=O)[O-])cc1)c1ccc(Br)cc1 ZINC000519228426 564572103 /nfs/dbraw/zinc/57/21/03/564572103.db2.gz QMAHZXLKUOVISA-HNNXBMFYSA-N 1 0 393.241 2.585 20 0 GFADRO CC[NH2+]CCCNS(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCCCO1 ZINC000519399273 564576828 /nfs/dbraw/zinc/57/68/28/564576828.db2.gz DYAFXTDQOZZFOA-OAHLLOKOSA-N 1 0 390.933 2.566 20 0 GFADRO COC(=O)c1cc(Br)c(F)cc1NC(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000519400873 564577134 /nfs/dbraw/zinc/57/71/34/564577134.db2.gz UGWSTGVJCVHHQT-HTQZYQBOSA-N 1 0 376.226 2.622 20 0 GFADRO CO[C@@H]1CCN(CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)[C@H](C[NH3+])C1 ZINC000572038799 564579310 /nfs/dbraw/zinc/57/93/10/564579310.db2.gz JLGWBINOKQLOSH-NWDGAFQWSA-N 1 0 379.810 2.735 20 0 GFADRO O=C(Nc1ccc(I)cc1F)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000519552266 564580636 /nfs/dbraw/zinc/58/06/36/564580636.db2.gz RKLBQBSPPSVITR-UWVGGRQHSA-N 1 0 389.212 2.504 20 0 GFADRO O=C(NCc1ccsc1Br)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000548913713 564581201 /nfs/dbraw/zinc/58/12/01/564581201.db2.gz ZRPKMCSXHVBJRT-KRWDZBQOSA-N 1 0 395.322 2.764 20 0 GFADRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)CSc2nnc(-c3cccs3)n2C)C1 ZINC000572116404 564581685 /nfs/dbraw/zinc/58/16/85/564581685.db2.gz ORABAVIVPLEDFM-CYBMUJFWSA-N 1 0 379.555 2.577 20 0 GFADRO C[NH+](C)C[C@H]1CN(C(=O)Nc2cc(Cl)cc(Br)c2)CCO1 ZINC000455968049 564582051 /nfs/dbraw/zinc/58/20/51/564582051.db2.gz JAJSCSNFQBUFOL-ZDUSSCGKSA-N 1 0 376.682 2.897 20 0 GFADRO O=C1NCC[C@H]1CC[N@H+]1CCC[C@@H]1c1ccccc1I ZINC000572131524 564582600 /nfs/dbraw/zinc/58/26/00/564582600.db2.gz FWSJGCLOLALEKS-SWLSCSKDSA-N 1 0 384.261 2.954 20 0 GFADRO O=C(N[C@@H](c1ccsc1)c1ccc(Cl)cc1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000484106997 564582839 /nfs/dbraw/zinc/58/28/39/564582839.db2.gz YMCOCWWSEVDBED-QZTJIDSGSA-N 1 0 375.925 2.997 20 0 GFADRO CCc1nc(C(=O)N2CC[C@H]([C@@H](C)[NH3+])C2)nn1-c1c(Cl)cccc1Cl ZINC000484201333 564583151 /nfs/dbraw/zinc/58/31/51/564583151.db2.gz MKGZGHMQAACXBT-MNOVXSKESA-N 1 0 382.295 2.946 20 0 GFADRO CC[NH+](CC)CCN(C(=O)c1cncn1C)c1ccc(Br)cn1 ZINC000572165102 564583666 /nfs/dbraw/zinc/58/36/66/564583666.db2.gz LCNBCYZAVSKPKU-UHFFFAOYSA-N 1 0 380.290 2.566 20 0 GFADRO C[C@@H]([NH2+]CCc1nnnn1-c1ccccc1)c1ncc(Br)cc1F ZINC000549038686 564584482 /nfs/dbraw/zinc/58/44/82/564584482.db2.gz TZLJBEZXLPHBJM-LLVKDONJSA-N 1 0 391.248 2.852 20 0 GFADRO COCC[NH2+]C1CCN(C(=O)[C@H](C)c2ccc(Br)s2)CC1 ZINC000519652859 564585227 /nfs/dbraw/zinc/58/52/27/564585227.db2.gz NAUYIJRCTVTOMB-LLVKDONJSA-N 1 0 375.332 2.841 20 0 GFADRO Fc1cccnc1N1CC[C@@H]([NH2+]Cc2cn3ccc(Br)cc3n2)C1 ZINC000519672859 564586313 /nfs/dbraw/zinc/58/63/13/564586313.db2.gz NVJONLHWUVBFNI-CYBMUJFWSA-N 1 0 390.260 2.999 20 0 GFADRO COCCN(C)C[C@@H](O)C[NH2+][C@](C)(c1ccc(Br)cc1)C(C)C ZINC000519703853 564587950 /nfs/dbraw/zinc/58/79/50/564587950.db2.gz LCJZPQJUVHIRJZ-ROUUACIJSA-N 1 0 387.362 2.849 20 0 GFADRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N1CCOc2ccc(Br)cc2C1 ZINC000549224963 564588738 /nfs/dbraw/zinc/58/87/38/564588738.db2.gz VEOUQFPURPRAIX-WBMJQRKESA-N 1 0 394.313 2.836 20 0 GFADRO [NH3+]Cc1cn([C@@H]2CCCN(C(=O)NCc3ccc(Cl)cc3Cl)C2)nn1 ZINC000519753106 564589731 /nfs/dbraw/zinc/58/97/31/564589731.db2.gz PPJBCGYITWDBQX-CQSZACIVSA-N 1 0 383.283 2.590 20 0 GFADRO CC(C)(C)[C@H](C[NH3+])NC(=O)Nc1ccc(I)cc1F ZINC000519780511 564590093 /nfs/dbraw/zinc/59/00/93/564590093.db2.gz RXLJGOVXSNUKJS-NSHDSACASA-N 1 0 379.217 2.925 20 0 GFADRO COC(=O)CN(C)C(=O)CC[N@H+](C)Cc1ccc(Br)cc1Cl ZINC000484566607 564591160 /nfs/dbraw/zinc/59/11/60/564591160.db2.gz FFQMJYVISBVYIP-UHFFFAOYSA-N 1 0 391.693 2.556 20 0 GFADRO CC[C@@H]([NH3+])CNC(=O)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000572362294 564591309 /nfs/dbraw/zinc/59/13/09/564591309.db2.gz BVWKCAPPYUIQPO-GFCCVEGCSA-N 1 0 378.826 2.824 20 0 GFADRO CS[C@@H]1CN(CC(=O)NCCc2ccc(Cl)cc2)C[C@H]1[NH+]1CCCC1 ZINC000484643058 564593733 /nfs/dbraw/zinc/59/37/33/564593733.db2.gz KSUZDLXDPKHVQJ-QZTJIDSGSA-N 1 0 381.973 2.510 20 0 GFADRO C[C@H](Cc1ccc(Br)cc1)C(=O)N(C)CCC[N@H+](C)CCN(C)C ZINC000572441285 564594070 /nfs/dbraw/zinc/59/40/70/564594070.db2.gz CIHNQVHDCMPITE-MRXNPFEDSA-N 1 0 398.389 2.970 20 0 GFADRO CCO[C@H]1COCC[C@H]1[NH2+]Cc1cc2c(cc1Br)OCCCO2 ZINC000484658798 564594471 /nfs/dbraw/zinc/59/44/71/564594471.db2.gz XEHNNEBTHZTNGA-PBHICJAKSA-N 1 0 386.286 2.894 20 0 GFADRO CCO[C@H]1COCC[C@H]1[NH2+]CC(=O)N(C)Cc1ccc(Cl)c(Cl)c1 ZINC000484658971 564594535 /nfs/dbraw/zinc/59/45/35/564594535.db2.gz WTLAXZPJTODDNE-CVEARBPZSA-N 1 0 375.296 2.735 20 0 GFADRO C[C@@H]1CN(C(=O)c2c(Br)cnn2C)CC[N@H+](Cc2ccccc2)C1 ZINC000456303608 564599940 /nfs/dbraw/zinc/59/99/40/564599940.db2.gz JPLFUADRDOVKPQ-AWEZNQCLSA-N 1 0 391.313 2.777 20 0 GFADRO C[NH+](C)C[C@@H](NC(=O)Cn1cc(Br)cn1)c1ccc(Cl)cc1 ZINC000549618223 564600641 /nfs/dbraw/zinc/60/06/41/564600641.db2.gz ZEWAOOWSCBZBNH-CQSZACIVSA-N 1 0 385.693 2.718 20 0 GFADRO CC[C@@H]1C[N@H+](CC)CCN1C(=O)c1csc(I)c1 ZINC000456340335 564601219 /nfs/dbraw/zinc/60/12/19/564601219.db2.gz DHPYRFMLDSZGFO-LLVKDONJSA-N 1 0 378.279 2.909 20 0 GFADRO COC1(C(=O)NCCc2cc(Cl)ccc2Br)CC[NH2+]CC1 ZINC000572603433 564601538 /nfs/dbraw/zinc/60/15/38/564601538.db2.gz CRNODRUSCZMBRO-UHFFFAOYSA-N 1 0 375.694 2.530 20 0 GFADRO CCCN(C(=O)Cc1ccc(I)cc1)C1CC[NH2+]CC1 ZINC000572600465 564601610 /nfs/dbraw/zinc/60/16/10/564601610.db2.gz XEKBGGUZPLGLIW-UHFFFAOYSA-N 1 0 386.277 2.824 20 0 GFADRO CC[C@H]1C[N@H+](CC)CCN1C(=O)c1cc(Br)c2c(c1)OCCO2 ZINC000456351319 564601839 /nfs/dbraw/zinc/60/18/39/564601839.db2.gz MKHOMBQQNCMSCR-ZDUSSCGKSA-N 1 0 383.286 2.777 20 0 GFADRO C[C@H]1C[N@H+](C)CCN1c1ccc(Br)cc1NC(=O)[C@@H]1CCCOC1 ZINC000456363793 564602247 /nfs/dbraw/zinc/60/22/47/564602247.db2.gz FZHWUAWDJBYGAE-UONOGXRCSA-N 1 0 396.329 2.955 20 0 GFADRO C[C@@H]1C[N@H+](C)CCN1c1ccc(Br)cc1NC(=O)C1=CCOCC1 ZINC000456363777 564602712 /nfs/dbraw/zinc/60/27/12/564602712.db2.gz FYERKXICDCFXKU-CYBMUJFWSA-N 1 0 394.313 2.875 20 0 GFADRO C[C@@H]1C[N@H+](C)CCN1c1ccc(Br)cc1NC(=O)C1CC(C)(O)C1 ZINC000456379851 564604939 /nfs/dbraw/zinc/60/49/39/564604939.db2.gz VTCLWLZLMMMYQY-WHENESEISA-N 1 0 396.329 2.689 20 0 GFADRO C[N@@H+]1CCC[C@]2(CCN(S(=O)(=O)c3ccc(F)c(C(F)(F)F)c3)C2)C1 ZINC000549898282 564607852 /nfs/dbraw/zinc/60/78/52/564607852.db2.gz BRPLUAJXBIKKKM-HNNXBMFYSA-N 1 0 380.407 2.951 20 0 GFADRO CC[C@H]1Cc2c(Br)cccc2CN1C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000572739891 564607924 /nfs/dbraw/zinc/60/79/24/564607924.db2.gz MSFXWJWUSJKLAZ-GJZGRUSLSA-N 1 0 396.329 2.674 20 0 GFADRO COc1ccc(SC)c(OC)c1C(=O)Nc1nc2c(s1)C[C@@H]([NH3+])CC2 ZINC000520585508 564607978 /nfs/dbraw/zinc/60/79/78/564607978.db2.gz RUSCJCQGNSBBFU-VIFPVBQESA-N 1 0 379.507 2.951 20 0 GFADRO C[NH+](C)CCCCC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 ZINC000572749751 564608221 /nfs/dbraw/zinc/60/82/21/564608221.db2.gz LDWVBSNHDRHRRW-UHFFFAOYSA-N 1 0 387.933 2.795 20 0 GFADRO C[C@@H]([NH2+]C[C@@H](O)COC[C@H]1CCCO1)c1ccc(Br)cc1F ZINC000520649963 564609058 /nfs/dbraw/zinc/60/90/58/564609058.db2.gz DFMPGDFXFQJWFH-MRVWCRGKSA-N 1 0 376.266 2.795 20 0 GFADRO CC(C)[NH+](CCNC(=O)C(=O)NCCc1cc(Cl)cc(Cl)c1)C(C)C ZINC000549970549 564611594 /nfs/dbraw/zinc/61/15/94/564611594.db2.gz HFICBYMRNHBZIN-UHFFFAOYSA-N 1 0 388.339 2.887 20 0 GFADRO COc1cc(Br)c(NC(=O)NCCC2=CC[NH2+]CC2)cc1OC ZINC000520761972 564611860 /nfs/dbraw/zinc/61/18/60/564611860.db2.gz UPQBFYGHCNTPJA-UHFFFAOYSA-N 1 0 384.274 2.898 20 0 GFADRO Cc1sc(NC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)nc1-c1cccc(Cl)c1 ZINC000572843043 564612887 /nfs/dbraw/zinc/61/28/87/564612887.db2.gz HZSIVNSYVRAEMX-ZDUSSCGKSA-N 1 0 378.885 2.579 20 0 GFADRO COCCN(CC[NH+](C)C)C(=O)N[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000520781583 564613148 /nfs/dbraw/zinc/61/31/48/564613148.db2.gz SYANRCSDRSKTPK-JKSUJKDBSA-N 1 0 384.318 2.525 20 0 GFADRO [NH3+]CC[C@@H](NC(=O)CCNc1ncc(C(F)(F)F)cc1Cl)C(F)(F)F ZINC000520810403 564613601 /nfs/dbraw/zinc/61/36/01/564613601.db2.gz QQAGOYQJAHHPKH-SECBINFHSA-N 1 0 392.731 2.952 20 0 GFADRO COc1nc(C)c(Br)cc1C(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000485474880 564616129 /nfs/dbraw/zinc/61/61/29/564616129.db2.gz DTDSVNBZTCLJAH-CQSZACIVSA-N 1 0 396.329 2.965 20 0 GFADRO CC[C@@H](C)[NH+]1CCN(C(=O)[C@@H]2CC(=O)Nc3ccc(Br)cc32)CC1 ZINC000456529976 564616237 /nfs/dbraw/zinc/61/62/37/564616237.db2.gz MIPMMNVVDUDHLQ-IUODEOHRSA-N 1 0 394.313 2.818 20 0 GFADRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NCc1ccc(Cl)cc1Cl ZINC000550295297 564619790 /nfs/dbraw/zinc/61/97/90/564619790.db2.gz QIKNFVAKBOXARH-OLZOCXBDSA-N 1 0 386.323 2.846 20 0 GFADRO C[C@@H](NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(Br)cc1 ZINC000550348890 564621409 /nfs/dbraw/zinc/62/14/09/564621409.db2.gz LDBJXJZOMCFJNH-ZENOOKHLSA-N 1 0 396.329 2.567 20 0 GFADRO CC(C)C[C@H](C[NH3+])NC(=O)[C@H]1CCCN1C(=O)c1ccc(Br)cc1 ZINC000573083367 564622341 /nfs/dbraw/zinc/62/23/41/564622341.db2.gz JUXTUEDBPRQACX-HZPDHXFCSA-N 1 0 396.329 2.543 20 0 GFADRO CC(C)[N@@H+]1CC[C@H](CNC(=O)Cc2ccc(I)cc2)C1 ZINC000521243014 564622511 /nfs/dbraw/zinc/62/25/11/564622511.db2.gz QJJJPPPZABTNBI-CQSZACIVSA-N 1 0 386.277 2.680 20 0 GFADRO COC(=O)C1CC[NH+](CCCNC(=O)c2c(C)cccc2Br)CC1 ZINC000485702501 564623687 /nfs/dbraw/zinc/62/36/87/564623687.db2.gz CALBFDNLCLGUPN-UHFFFAOYSA-N 1 0 397.313 2.762 20 0 GFADRO CS(=O)(=O)N1CCC[C@@H]([NH2+]Cc2cc3cc(Br)ccc3o2)C1 ZINC000521273020 564623879 /nfs/dbraw/zinc/62/38/79/564623879.db2.gz JHJKQCNUPPWEJH-CYBMUJFWSA-N 1 0 387.299 2.709 20 0 GFADRO O=C(NCc1cccc(Cl)c1Cl)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000550420209 564624125 /nfs/dbraw/zinc/62/41/25/564624125.db2.gz WEHWRBQNYSGYCS-CYBMUJFWSA-N 1 0 384.307 2.554 20 0 GFADRO CC(C)[C@H]1CN([C@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2=O)CC[N@@H+]1C ZINC000485729829 564624867 /nfs/dbraw/zinc/62/48/67/564624867.db2.gz HWAKJGLSQAJURI-LSDHHAIUSA-N 1 0 384.307 2.897 20 0 GFADRO COc1cc(C(=O)NC[C@H]2CC[N@@H+](C(C)C)C2)cc(Br)c1OC ZINC000550589505 564626603 /nfs/dbraw/zinc/62/66/03/564626603.db2.gz VOYDRNRMOPJKAK-GFCCVEGCSA-N 1 0 385.302 2.926 20 0 GFADRO COCCN(Cc1cc(Br)cs1)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC000521459425 564627251 /nfs/dbraw/zinc/62/72/51/564627251.db2.gz WLODPMIGUMYMBI-LBPRGKRZSA-N 1 0 375.332 2.827 20 0 GFADRO CC[NH+](CC)[C@H](CNC(=O)C(=O)NC[C@@H]1CCCCS1)c1ccsc1 ZINC000550636870 564628027 /nfs/dbraw/zinc/62/80/27/564628027.db2.gz PQEIVEZGVMWWBF-JKSUJKDBSA-N 1 0 383.583 2.649 20 0 GFADRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(=O)NCc1c(Cl)cccc1Cl ZINC000550722953 564629702 /nfs/dbraw/zinc/62/97/02/564629702.db2.gz JVLSWXBHXRHDLO-ZDUSSCGKSA-N 1 0 386.323 2.942 20 0 GFADRO C[NH+](C)CC1CCC(NC(=O)C(=O)NCc2c(Cl)cccc2Cl)CC1 ZINC000550723116 564629860 /nfs/dbraw/zinc/62/98/60/564629860.db2.gz LGSWKYTUZZSAKY-UHFFFAOYSA-N 1 0 386.323 2.846 20 0 GFADRO C[C@@H]([NH2+]C[C@H]1CCCCN1S(=O)(=O)N(C)C)c1cc2c(s1)CCCC2 ZINC000573284409 564631316 /nfs/dbraw/zinc/63/13/16/564631316.db2.gz YQQBUMIMCYRHQU-GDBMZVCRSA-N 1 0 385.599 2.938 20 0 GFADRO CO[C@@H]1CCN(C(=O)N[C@H]2C[C@H](c3ccc(Br)cc3)C2)[C@@H](C[NH3+])C1 ZINC000573309212 564633126 /nfs/dbraw/zinc/63/31/26/564633126.db2.gz UMRBOMDRZOUBKS-MWQQHZPXSA-N 1 0 396.329 2.843 20 0 GFADRO O=S(=O)(c1cccc(OC(F)(F)F)c1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000521690495 564634363 /nfs/dbraw/zinc/63/43/63/564634363.db2.gz LXVIKEFFEZAAIU-CYBMUJFWSA-N 1 0 378.416 2.834 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)[C@H]1CCN(c2cc(Cl)ccc2Cl)C1=O ZINC000521661240 564634540 /nfs/dbraw/zinc/63/45/40/564634540.db2.gz MHWKJAAUDCJNAW-TZMCWYRMSA-N 1 0 382.291 2.699 20 0 GFADRO CC[NH+]1CCN(CC(C)(C)NC(=O)c2cc(C)cc(Br)c2)CC1 ZINC000456877649 564636556 /nfs/dbraw/zinc/63/65/56/564636556.db2.gz IMYMQNXAWDHKDZ-UHFFFAOYSA-N 1 0 382.346 2.903 20 0 GFADRO Fc1cc(Br)cc2c1CC[C@@H]2NCc1nnc(C2CC[NH2+]CC2)[nH]1 ZINC000573438006 564637243 /nfs/dbraw/zinc/63/72/43/564637243.db2.gz VAWKUOWSXWRXOT-HNNXBMFYSA-N 1 0 394.292 2.950 20 0 GFADRO O=S(=O)(Cc1cc(Cl)ccc1Br)NCC[C@H]1CCC[NH2+]C1 ZINC000521873805 564637774 /nfs/dbraw/zinc/63/77/74/564637774.db2.gz OVHGDJAUBYGYGX-LLVKDONJSA-N 1 0 395.750 2.912 20 0 GFADRO CC[NH+]1CCN(CC(C)(C)NC(=O)c2cccc(Br)c2C)CC1 ZINC000456909538 564638229 /nfs/dbraw/zinc/63/82/29/564638229.db2.gz ZFKVAYWCTOSHRK-UHFFFAOYSA-N 1 0 382.346 2.903 20 0 GFADRO O=S(=O)(NC1CC[NH+](CC2CC2)CC1)c1csc(-c2ccccc2)n1 ZINC000521916488 564638325 /nfs/dbraw/zinc/63/83/25/564638325.db2.gz XJKCTTYOCHEIBF-UHFFFAOYSA-N 1 0 377.535 2.963 20 0 GFADRO O=C(N[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)N[C@@H]1C[NH2+]CCC1(F)F ZINC000573465036 564639196 /nfs/dbraw/zinc/63/91/96/564639196.db2.gz ODZRDMLWBYUHKC-MCIONIFRSA-N 1 0 377.794 2.606 20 0 GFADRO O=c1[nH]cc(Br)cc1Cc1noc(C2CC[NH+](C3CC3)CC2)n1 ZINC000573482837 564640032 /nfs/dbraw/zinc/64/00/32/564640032.db2.gz CTYSKHGGZLCCPZ-UHFFFAOYSA-N 1 0 379.258 2.865 20 0 GFADRO CC[C@@H]1C[N@H+](C)CCCN1S(=O)(=O)c1cccc(Br)c1F ZINC000522035801 564642608 /nfs/dbraw/zinc/64/26/08/564642608.db2.gz FJVUGDXTNVMDFW-LLVKDONJSA-N 1 0 379.295 2.693 20 0 GFADRO CC[C@@H](NC(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1)c1ccc(Cl)s1 ZINC000551219299 564643093 /nfs/dbraw/zinc/64/30/93/564643093.db2.gz UPJCDFLMSAZSLE-BZNIZROVSA-N 1 0 389.974 2.522 20 0 GFADRO CO[C@@H]1CCN(C(=O)NCCOc2cccc(Cl)c2Cl)[C@@H](C[NH3+])C1 ZINC000573582693 564645085 /nfs/dbraw/zinc/64/50/85/564645085.db2.gz JUUWSZHXVZPZGE-VXGBXAGGSA-N 1 0 376.284 2.520 20 0 GFADRO C[C@@H]([NH2+]CC(=O)Nc1ccc(I)cc1)[C@@]1(C)CCCO1 ZINC000551306361 564645474 /nfs/dbraw/zinc/64/54/74/564645474.db2.gz LZQKHJSIBGDJEU-IAQYHMDHSA-N 1 0 388.249 2.777 20 0 GFADRO O=C(N[C@H]1CCOc2c(Br)cccc21)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000573582671 564645480 /nfs/dbraw/zinc/64/54/80/564645480.db2.gz JRKAXQBYVLPBMN-ZOWXZIJZSA-N 1 0 380.286 2.809 20 0 GFADRO O=S(=O)(c1ccc(OC(F)F)c(Cl)c1)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000573608417 564646014 /nfs/dbraw/zinc/64/60/14/564646014.db2.gz PVOFNLIMRKINIK-NWDGAFQWSA-N 1 0 394.871 2.952 20 0 GFADRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)Cc2cccc(I)c2)C1 ZINC000457093806 564646815 /nfs/dbraw/zinc/64/68/15/564646815.db2.gz OKMBAXXGDNNMEF-HNNXBMFYSA-N 1 0 386.277 2.775 20 0 GFADRO Cc1ccc(CC[NH2+][C@H](C)c2ccc(Br)c(S(N)(=O)=O)c2)cn1 ZINC000573661750 564648827 /nfs/dbraw/zinc/64/88/27/564648827.db2.gz HMYKAOQXEPGASF-GFCCVEGCSA-N 1 0 398.326 2.693 20 0 GFADRO C[C@H]([NH2+]CCC(=O)Nc1cccc(C(F)(F)F)c1)C1(S(C)(=O)=O)CC1 ZINC000573678090 564649045 /nfs/dbraw/zinc/64/90/45/564649045.db2.gz LTOWMEBDZNUCDM-NSHDSACASA-N 1 0 378.416 2.589 20 0 GFADRO COCC[NH2+]C1CCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000573688522 564649812 /nfs/dbraw/zinc/64/98/12/564649812.db2.gz HEOABQZAJUBKDM-UHFFFAOYSA-N 1 0 381.325 2.524 20 0 GFADRO CC(C)c1ccc(Cl)c(S(=O)(=O)NCCC[N@H+](C)CCN(C)C)c1 ZINC000573720559 564650390 /nfs/dbraw/zinc/65/03/90/564650390.db2.gz XXTXRWVWIAFTOR-UHFFFAOYSA-N 1 0 375.966 2.625 20 0 GFADRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)c1ccc(I)c(F)c1 ZINC000522383811 564651181 /nfs/dbraw/zinc/65/11/81/564651181.db2.gz QWUVQUGQHAKQRM-LLVKDONJSA-N 1 0 390.240 2.844 20 0 GFADRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)c1csc(I)c1 ZINC000522380645 564651279 /nfs/dbraw/zinc/65/12/79/564651279.db2.gz HTDAXUDUBVPUHZ-SNVBAGLBSA-N 1 0 378.279 2.767 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)NC(C)(C)C[NH+](C)C ZINC000457213889 564652494 /nfs/dbraw/zinc/65/24/94/564652494.db2.gz VQABQAZYHUXOJS-AWEZNQCLSA-N 1 0 386.583 2.807 20 0 GFADRO C[C@H](CNC(=O)C(=O)N(C)Cc1cc(Cl)cc(Cl)c1)C[NH+]1CCCC1 ZINC000551504812 564652841 /nfs/dbraw/zinc/65/28/41/564652841.db2.gz HLJQXHCGESBLCA-CYBMUJFWSA-N 1 0 386.323 2.800 20 0 GFADRO CN(C1CC([NH3+])C1)S(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000573801910 564655360 /nfs/dbraw/zinc/65/53/60/564655360.db2.gz RTJSTSLXACKYRU-UHFFFAOYSA-N 1 0 376.322 2.834 20 0 GFADRO COc1cc(F)c(Br)cc1S(=O)(=O)N[C@@](C)(C[NH3+])CC(C)C ZINC000573817448 564655366 /nfs/dbraw/zinc/65/53/66/564655366.db2.gz MLWKVJJMYWOXAM-CQSZACIVSA-N 1 0 397.310 2.639 20 0 GFADRO CCCc1ccc(Cl)c(S(=O)(=O)N[C@@H](C)CCN2CC[NH+](C)CC2)c1 ZINC000551563430 564655408 /nfs/dbraw/zinc/65/54/08/564655408.db2.gz JOCZAWVLUYIUKP-HNNXBMFYSA-N 1 0 387.977 2.597 20 0 GFADRO O=C(NCCCC[NH+]1CCN(CCO)CC1)Nc1cccc(Cl)c1Cl ZINC000522846104 564657374 /nfs/dbraw/zinc/65/73/74/564657374.db2.gz NEKZSBPLLZBXBT-UHFFFAOYSA-N 1 0 389.327 2.505 20 0 GFADRO C[C@@H](CNC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1)c1c(Cl)cccc1Cl ZINC000522851267 564657388 /nfs/dbraw/zinc/65/73/88/564657388.db2.gz SKRJQEBJDXUJIK-QWHCGFSZSA-N 1 0 386.323 2.623 20 0 GFADRO CC[NH+](CC)CCCNC(=O)NCc1nc2c(cccc2Br)[nH]1 ZINC000457439957 564661562 /nfs/dbraw/zinc/66/15/62/564661562.db2.gz RXTDMUSRBHOVOU-UHFFFAOYSA-N 1 0 382.306 2.857 20 0 GFADRO COc1c(Cl)cc(NC(=O)C(=O)NCC[N@@H+]2CCC[C@@H](C)C2)cc1Cl ZINC000523210259 564662950 /nfs/dbraw/zinc/66/29/50/564662950.db2.gz RWNDMGWSZVQWGN-LLVKDONJSA-N 1 0 388.295 2.789 20 0 GFADRO COc1ncc([C@H](C)[NH2+]CCN(C)S(=O)(=O)c2cccs2)cc1Cl ZINC000551791051 564663175 /nfs/dbraw/zinc/66/31/75/564663175.db2.gz LKMBLEUWTKPQPR-NSHDSACASA-N 1 0 389.930 2.776 20 0 GFADRO CC[NH+]1CCC(CCNC(=O)C(=O)NCc2c(Cl)cccc2Cl)CC1 ZINC000573985655 564663632 /nfs/dbraw/zinc/66/36/32/564663632.db2.gz BSECGERKWDFAQR-UHFFFAOYSA-N 1 0 386.323 2.848 20 0 GFADRO CS(=O)(=O)NCC[NH+]1CCC(CCc2cccc(C(F)(F)F)c2)CC1 ZINC000523320197 564664060 /nfs/dbraw/zinc/66/40/60/564664060.db2.gz HRCYLJGGIXGSHW-UHFFFAOYSA-N 1 0 378.460 2.899 20 0 GFADRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)c2cc(Br)co2)CC1 ZINC000457519330 564664593 /nfs/dbraw/zinc/66/45/93/564664593.db2.gz YPFVRWWDFTWIJV-OKILXGFUSA-N 1 0 384.318 2.673 20 0 GFADRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)NCc2n[nH]cc2Br)C1 ZINC000523384036 564665647 /nfs/dbraw/zinc/66/56/47/564665647.db2.gz IQNMKANPIMCUNA-TXEJJXNPSA-N 1 0 386.338 2.728 20 0 GFADRO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCCCOc1ncc(C(F)(F)F)cc1Cl ZINC000486794046 564666572 /nfs/dbraw/zinc/66/65/72/564666572.db2.gz LDBYZTVMVAEDAY-JQWIXIFHSA-N 1 0 379.810 2.837 20 0 GFADRO Cc1cc(Br)c(C(=O)N(C)CC2CC[NH+](C[C@H](C)O)CC2)s1 ZINC000457620120 564667447 /nfs/dbraw/zinc/66/74/47/564667447.db2.gz RPAXPZZKVQMNKK-NSHDSACASA-N 1 0 389.359 2.984 20 0 GFADRO C[C@@H]1CN(C(=O)c2cn(Cc3ccc(Cl)cc3Cl)nn2)C[C@@H]1[NH+](C)C ZINC000457610708 564667615 /nfs/dbraw/zinc/66/76/15/564667615.db2.gz KEFKIGIDRKRAEY-BZNIZROVSA-N 1 0 382.295 2.655 20 0 GFADRO C[C@H]1CCC[N@H+](CCNC(=O)NCc2nc3c(cccc3Br)[nH]2)C1 ZINC000457690171 564669374 /nfs/dbraw/zinc/66/93/74/564669374.db2.gz LCVRJLTUXVOWJL-LBPRGKRZSA-N 1 0 394.317 2.857 20 0 GFADRO O=C(N[C@@H](c1cncc(Br)c1)C1CC1)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000574142211 564670012 /nfs/dbraw/zinc/67/00/12/564670012.db2.gz PBPFDNAMCPIKHX-DLTLXFJOSA-N 1 0 393.329 2.983 20 0 GFADRO O=C(N[C@H](c1cncc(Br)c1)C1CC1)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000574142213 564670032 /nfs/dbraw/zinc/67/00/32/564670032.db2.gz PBPFDNAMCPIKHX-KFZJALRRSA-N 1 0 393.329 2.983 20 0 GFADRO CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1([NH3+])C(=O)N1CCc2cc(Br)ccc2C1 ZINC000574398100 564672617 /nfs/dbraw/zinc/67/26/17/564672617.db2.gz NVRVFBPPJZXAGI-FRQCXROJSA-N 1 0 393.325 2.866 20 0 GFADRO C[C@H]1CCC[C@@](CNC(=O)c2cc(I)c[nH]2)([NH+](C)C)C1 ZINC000523744146 564672935 /nfs/dbraw/zinc/67/29/35/564672935.db2.gz MNGBQHVDNNVOAS-XHDPSFHLSA-N 1 0 389.281 2.860 20 0 GFADRO C[C@H]([NH2+][C@H](CO)C1CCOCC1)c1ccccc1I ZINC000574428747 564673215 /nfs/dbraw/zinc/67/32/15/564673215.db2.gz CWQJFUJUNQXGML-XHDPSFHLSA-N 1 0 375.250 2.729 20 0 GFADRO CN(Cc1cc(=O)n2cc(Br)ccc2n1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000552022401 564673604 /nfs/dbraw/zinc/67/36/04/564673604.db2.gz PTSXTPGBZSLVKM-XYPWUTKMSA-N 1 0 391.313 2.514 20 0 GFADRO CS[C@H]1CN(C(=O)CSc2nccn2C(C)(C)C)C[C@H]1[NH+]1CCCC1 ZINC000487080795 564674114 /nfs/dbraw/zinc/67/41/14/564674114.db2.gz UPXLKXCZQUGXJR-CABCVRRESA-N 1 0 382.599 2.768 20 0 GFADRO C[NH+](C)C[C@H](CNC(=O)c1csc(NC2CC2)n1)c1ccc(Cl)cc1 ZINC000552026821 564674860 /nfs/dbraw/zinc/67/48/60/564674860.db2.gz FJTMBBNTEKWALN-ZDUSSCGKSA-N 1 0 378.929 3.446 20 0 GFADRO C[C@@H](Cc1ccc(Br)cc1)NC(=O)NC[C@H]1CCC[N@@H+]1CCCO ZINC000457873945 564677541 /nfs/dbraw/zinc/67/75/41/564677541.db2.gz LUIZXKGALNRRRR-WMLDXEAASA-N 1 0 398.345 2.526 20 0 GFADRO OC[C@@H](C[NH2+]C[C@H](O)COc1cc(Cl)ccc1Cl)Cc1cccnc1 ZINC000574519348 564677529 /nfs/dbraw/zinc/67/75/29/564677529.db2.gz OQKWSPQRNWRHGZ-ZBFHGGJFSA-N 1 0 385.291 2.569 20 0 GFADRO C[C@H](NC(=O)CCCS(=O)(=O)c1ccc(Cl)cc1)C1=CC[N@H+](C)CC1 ZINC000552153747 564680353 /nfs/dbraw/zinc/68/03/53/564680353.db2.gz FDORPNFVXVQRQE-AWEZNQCLSA-N 1 0 384.929 2.661 20 0 GFADRO NC(=O)c1c[nH+]ccc1N1CCC(Oc2cccc(Br)c2)CC1 ZINC000574612977 564680599 /nfs/dbraw/zinc/68/05/99/564680599.db2.gz DGHNLXHCUNOEKW-UHFFFAOYSA-N 1 0 376.254 2.991 20 0 GFADRO COc1cc(C)c(Br)cc1C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000552191114 564680730 /nfs/dbraw/zinc/68/07/30/564680730.db2.gz SUMDAKJTVKJGGQ-CQSZACIVSA-N 1 0 399.329 2.997 20 0 GFADRO COc1cccc(N2CCC[C@@H]([NH2+]Cc3c(Br)cnn3C)C2)c1 ZINC000487295314 564681561 /nfs/dbraw/zinc/68/15/61/564681561.db2.gz CYSUUNJWWPRHTC-CYBMUJFWSA-N 1 0 379.302 2.950 20 0 GFADRO CCN(CC)S(=O)(=O)c1ccc(CN[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)s1 ZINC000552227511 564682962 /nfs/dbraw/zinc/68/29/62/564682962.db2.gz AVIKOPBNZJQLKL-BRWVUGGUSA-N 1 0 385.599 2.741 20 0 GFADRO C[C@]1(C[NH2+]C[C@@H](O)COc2ccc(Br)cc2)CCO[C@H]1C1CC1 ZINC000574686393 564684426 /nfs/dbraw/zinc/68/44/26/564684426.db2.gz RSRZZMHNEIPRKG-BPQIPLTHSA-N 1 0 384.314 2.984 20 0 GFADRO C[C@@H]1CC[N@H+](CCNC(=O)COc2ccc(Br)cc2Cl)C1 ZINC000524719528 564686116 /nfs/dbraw/zinc/68/61/16/564686116.db2.gz ZALNUNCRVFSMAH-LLVKDONJSA-N 1 0 375.694 2.939 20 0 GFADRO CC[NH+](CC)CCS(=O)(=O)NCC1(c2cccc(C(F)(F)F)c2)CC1 ZINC000574728717 564686506 /nfs/dbraw/zinc/68/65/06/564686506.db2.gz JHVLGHMGCCHRGK-UHFFFAOYSA-N 1 0 378.460 2.998 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)N(CCO)Cc2cccc(Br)c2)C[N@@H+]1C1CC1 ZINC000487440297 564687968 /nfs/dbraw/zinc/68/79/68/564687968.db2.gz MEBZRKCODKKUKK-CJNGLKHVSA-N 1 0 396.329 2.578 20 0 GFADRO CC[C@H](C)[N@H+](C)CCNC(=O)N(CCO)Cc1cccc(Br)c1 ZINC000487458002 564688568 /nfs/dbraw/zinc/68/85/68/564688568.db2.gz AUCOLUCNXPQGTQ-AWEZNQCLSA-N 1 0 386.334 2.683 20 0 GFADRO C[C@H](NC(=O)N1C[C@H]([NH+]2CCCC2)C[C@@H]1C)c1ncc(Br)cn1 ZINC000575241342 564695746 /nfs/dbraw/zinc/69/57/46/564695746.db2.gz PZMLNROZLLNALY-SGMGOOAPSA-N 1 0 382.306 2.568 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)N1CCC[C@H]1c1ccc(Br)cn1 ZINC000458416265 564700595 /nfs/dbraw/zinc/70/05/95/564700595.db2.gz OYNRLNQCNRFOBZ-CJNGLKHVSA-N 1 0 379.302 2.927 20 0 GFADRO CCOC(=O)[C@H](Cc1cc(Cl)cc(Cl)c1)NC(=O)CC[NH2+]C(C)C ZINC000575748776 564702936 /nfs/dbraw/zinc/70/29/36/564702936.db2.gz YFGHGAIETVMRAE-HNNXBMFYSA-N 1 0 375.296 2.972 20 0 GFADRO CC(C)C[C@@H](CCO)C[NH2+]CCS(=O)(=O)c1cccc(Br)c1 ZINC000575743580 564703187 /nfs/dbraw/zinc/70/31/87/564703187.db2.gz XEUHQYMYKQYUGH-CQSZACIVSA-N 1 0 392.359 2.857 20 0 GFADRO C[C@H]1CC[N@H+](CC(=O)N2CCO[C@@H](c3ccc(F)c(Br)c3)C2)C1 ZINC000576052039 564705667 /nfs/dbraw/zinc/70/56/67/564705667.db2.gz ZIKBFIYHNUBPBH-BLLLJJGKSA-N 1 0 385.277 2.830 20 0 GFADRO C[C@@H](NC(=O)NCC[C@H](C)[NH+]1CCCCC1)c1ncc(Br)cn1 ZINC000576205295 564707332 /nfs/dbraw/zinc/70/73/32/564707332.db2.gz ILLJCMMWBKUSCM-QWHCGFSZSA-N 1 0 384.322 2.864 20 0 GFADRO [NH3+][C@@H](Cc1ccccc1)[C@@H](O)CN1CCc2cc(Br)ccc2C1 ZINC000576227726 564708343 /nfs/dbraw/zinc/70/83/43/564708343.db2.gz CEJXUAXOZQFRLZ-OALUTQOASA-N 1 0 375.310 2.738 20 0 GFADRO CCOCC[C@@H](O)C[NH2+]CC1(c2ccc(Br)cc2)CCOCC1 ZINC000576220639 564708460 /nfs/dbraw/zinc/70/84/60/564708460.db2.gz YUIUAWXKWUFDHD-QGZVFWFLSA-N 1 0 386.330 2.874 20 0 GFADRO C[C@@H]1C[N@H+](C)CCN1c1ccc(Br)cc1NC(=O)[C@@H]1CCC(=O)C1 ZINC000576230044 564709283 /nfs/dbraw/zinc/70/92/83/564709283.db2.gz NDVLPJWIYHMEGF-CHWSQXEVSA-N 1 0 394.313 2.897 20 0 GFADRO Cc1nccc(NC(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)c1Br ZINC000525847227 564710117 /nfs/dbraw/zinc/71/01/17/564710117.db2.gz OTZKJDOLXIEICA-HNNXBMFYSA-N 1 0 391.313 2.869 20 0 GFADRO C[NH+](C)CCn1nccc1NC(=O)CCc1cc(Br)ccc1F ZINC000576304520 564711827 /nfs/dbraw/zinc/71/18/27/564711827.db2.gz ZKPHHPLYGHEDMV-UHFFFAOYSA-N 1 0 383.265 2.918 20 0 GFADRO CC(=O)Nc1ccc(OC[C@@H](O)C[NH2+]Cc2ccc(Br)s2)cc1 ZINC000553199501 564712102 /nfs/dbraw/zinc/71/21/02/564712102.db2.gz FXFNHVCQVLHIRN-ZDUSSCGKSA-N 1 0 399.310 2.999 20 0 GFADRO C[C@H]1CCCC[N@@H+]1CCNC(=O)Cc1ccc(I)cc1 ZINC000488504015 564712667 /nfs/dbraw/zinc/71/26/67/564712667.db2.gz WHQDJHBJEHUUQA-ZDUSSCGKSA-N 1 0 386.277 2.824 20 0 GFADRO CC[NH+](CC)CC[C@H](CO)NC(=O)c1cc(Br)c(F)cc1F ZINC000576359192 564712737 /nfs/dbraw/zinc/71/27/37/564712737.db2.gz HBYVEXHYHBVUOE-SNVBAGLBSA-N 1 0 379.245 2.550 20 0 GFADRO CC(C)n1c(-c2cc(Br)c[nH]2)nnc1N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000576351698 564713070 /nfs/dbraw/zinc/71/30/70/564713070.db2.gz LAHDBYUEJNANRE-CYBMUJFWSA-N 1 0 379.306 2.901 20 0 GFADRO O=C(NCC[N@@H+]1CCCOCC1)N1CCSC[C@@H]1c1ccc(Cl)cc1 ZINC000458835964 564719481 /nfs/dbraw/zinc/71/94/81/564719481.db2.gz FLZJBJYTXAVPBD-QGZVFWFLSA-N 1 0 383.945 2.862 20 0 GFADRO C[N@H+](CC(=O)N1CCN(Cc2ccc(Br)s2)CC1)C(C)(C)C ZINC000576819555 564720298 /nfs/dbraw/zinc/72/02/98/564720298.db2.gz JNGRLZHVLSLGIP-UHFFFAOYSA-N 1 0 388.375 2.885 20 0 GFADRO C[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccco1)c1ncc(Br)cn1 ZINC000458853665 564720851 /nfs/dbraw/zinc/72/08/51/564720851.db2.gz WXYSSSKYRLFWIF-GFCCVEGCSA-N 1 0 396.289 2.667 20 0 GFADRO C[NH+](C)C1(CNC(=O)c2ccc(S(=O)(=O)c3ccccc3)s2)CCC1 ZINC000526120718 564721641 /nfs/dbraw/zinc/72/16/41/564721641.db2.gz LDQFRHBHXWRIGT-UHFFFAOYSA-N 1 0 378.519 2.795 20 0 GFADRO CCCC[N@H+](C)CCNC(=O)[C@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000488919548 564723266 /nfs/dbraw/zinc/72/32/66/564723266.db2.gz UHQIYNIQQXVYAR-AWEZNQCLSA-N 1 0 396.329 2.650 20 0 GFADRO C[C@H](CNS(=O)(=O)c1cc(Br)c(F)cc1F)C[NH+]1CCCC1 ZINC000488885108 564723459 /nfs/dbraw/zinc/72/34/59/564723459.db2.gz LJEVDOYMLDYDQP-SNVBAGLBSA-N 1 0 397.285 2.738 20 0 GFADRO Cc1nc(CNC(=O)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)sc1Br ZINC000458923433 564723882 /nfs/dbraw/zinc/72/38/82/564723882.db2.gz JAAIAXVAUQGKCZ-HNNXBMFYSA-N 1 0 387.347 2.841 20 0 GFADRO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)Cc1ccc(I)cc1 ZINC000488960337 564725418 /nfs/dbraw/zinc/72/54/18/564725418.db2.gz KAZXRBWYCWKFNY-HNNXBMFYSA-N 1 0 386.277 2.632 20 0 GFADRO COCCSCCC[N@H+](C)[C@H](C)c1cccc(N2CCCS2(=O)=O)c1 ZINC000488989672 564726063 /nfs/dbraw/zinc/72/60/63/564726063.db2.gz WVHRTJISXLVQTA-MRXNPFEDSA-N 1 0 386.583 2.989 20 0 GFADRO Cc1sc2ncnc(SCCC(=O)NCC[NH+]3CCSCC3)c2c1C ZINC000489010418 564726339 /nfs/dbraw/zinc/72/63/39/564726339.db2.gz DBEZDJQQDYNIGG-UHFFFAOYSA-N 1 0 396.607 2.955 20 0 GFADRO CC[C@H](Cc1ccccc1Br)[NH2+]C1CCC2(CC1)NC(=O)NC2=O ZINC000553564189 564726705 /nfs/dbraw/zinc/72/67/05/564726705.db2.gz QQNBBGHMDVBJNQ-WRSVWVKZSA-N 1 0 394.313 2.881 20 0 GFADRO O=C(NC/C=C/c1ccc(Br)cc1)NC[C@@H]1CCCC[N@H+]1CCO ZINC000458962849 564726729 /nfs/dbraw/zinc/72/67/29/564726729.db2.gz DRBOLUMLAWIUBJ-IDOMTICXSA-N 1 0 396.329 2.608 20 0 GFADRO C[C@@H]1CC[S@](=O)CCN1C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000577170193 564727572 /nfs/dbraw/zinc/72/75/72/564727572.db2.gz WLTJONPJCCRRFH-BPCAQTKCSA-N 1 0 383.583 2.684 20 0 GFADRO O=C(c1cn(C[C@@H]2CCC[NH2+]2)nn1)N1CCc2cc(Cl)cc(Cl)c2C1 ZINC000577176383 564727884 /nfs/dbraw/zinc/72/78/84/564727884.db2.gz TXHJXNAGCIRZTF-ZDUSSCGKSA-N 1 0 380.279 2.535 20 0 GFADRO COCC1(C(=O)NCCCc2ccc(Br)cc2OC)CC[NH2+]CC1 ZINC000577219636 564730047 /nfs/dbraw/zinc/73/00/47/564730047.db2.gz QYUOPQCMKXCBNY-UHFFFAOYSA-N 1 0 399.329 2.523 20 0 GFADRO O=C(N[C@H](c1ccc(Br)cc1)C1CCC1)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000489155763 564731294 /nfs/dbraw/zinc/73/12/94/564731294.db2.gz KMHTTYTXURIPSH-ROUUACIJSA-N 1 0 392.341 2.796 20 0 GFADRO O=C(Cc1ccc(I)cc1)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000489141648 564731310 /nfs/dbraw/zinc/73/13/10/564731310.db2.gz PALKGGLTECUUST-HUUCEWRRSA-N 1 0 384.261 2.577 20 0 GFADRO O=C(N[C@@H](c1ccc(Br)cc1)C1CCC1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000489155762 564731663 /nfs/dbraw/zinc/73/16/63/564731663.db2.gz KMHTTYTXURIPSH-QZTJIDSGSA-N 1 0 392.341 2.796 20 0 GFADRO O=C(NC[C@H](O)C(F)F)NC[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC000489241566 564733416 /nfs/dbraw/zinc/73/34/16/564733416.db2.gz WAZRUZGUQYFDEM-GJZGRUSLSA-N 1 0 375.847 2.620 20 0 GFADRO CC[NH+](CC)CCN(CCOC)S(=O)(=O)c1ccc2nc(C)sc2c1 ZINC000489282052 564734078 /nfs/dbraw/zinc/73/40/78/564734078.db2.gz XEGDSWRDKINOGU-UHFFFAOYSA-N 1 0 385.555 2.584 20 0 GFADRO CCCC[N@H+](C)C[C@@H](C)NC(=O)C(=O)Nc1ccc(F)cc1Br ZINC000577329284 564734475 /nfs/dbraw/zinc/73/44/75/564734475.db2.gz ORELQOZHCFMHJY-LLVKDONJSA-N 1 0 388.281 2.763 20 0 GFADRO CC(C)N(CC[NH+]1CCCCCC1)C(=O)Cn1cc(Br)ccc1=O ZINC000553730618 564734409 /nfs/dbraw/zinc/73/44/09/564734409.db2.gz XZZRZKFNHRBCSA-UHFFFAOYSA-N 1 0 398.345 2.724 20 0 GFADRO CC1=CC[N@H+](CCNC(=O)NCC(=O)Nc2cc(Cl)ccc2Cl)CC1 ZINC000527230872 564734599 /nfs/dbraw/zinc/73/45/99/564734599.db2.gz ZLBDWNNQUDZQMG-UHFFFAOYSA-N 1 0 385.295 2.883 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)C[N@@H+]1C[C@H](O)C[C@@H]1[C@@H]1CCCOC1 ZINC000577340892 564735098 /nfs/dbraw/zinc/73/50/98/564735098.db2.gz HXWDGMHFZUZOMB-FRFSOERESA-N 1 0 397.313 2.558 20 0 GFADRO Cc1cc(C)c(C(=O)NC[C@H]2CCC[N@@H+](C)C2)cc1I ZINC000527245427 564735600 /nfs/dbraw/zinc/73/56/00/564735600.db2.gz BTUINQIELCNFTM-CYBMUJFWSA-N 1 0 386.277 2.980 20 0 GFADRO CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(S(C)(=O)=O)s2)c2ccccc2C1 ZINC000527292608 564737527 /nfs/dbraw/zinc/73/75/27/564737527.db2.gz QEYIWFKCGHQLQC-QGZVFWFLSA-N 1 0 378.519 2.735 20 0 GFADRO [NH3+]C[C@@H]1c2ccccc2CCN1S(=O)(=O)c1cc(F)ccc1Br ZINC000577869320 564738224 /nfs/dbraw/zinc/73/82/24/564738224.db2.gz FBZDCNQIWUQQPH-OAHLLOKOSA-N 1 0 399.285 2.835 20 0 GFADRO O[C@@H](COc1ccc(Cl)cc1Br)C[NH+]1CC2(C1)CCCOC2 ZINC000489419468 564739117 /nfs/dbraw/zinc/73/91/17/564739117.db2.gz WDSWWBLCRSYATJ-CYBMUJFWSA-N 1 0 390.705 2.955 20 0 GFADRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)NCCOc2ccc(Br)cc2)C1 ZINC000489416890 564739138 /nfs/dbraw/zinc/73/91/38/564739138.db2.gz XDNLYKBREVMRKU-CABCVRRESA-N 1 0 384.318 3.000 20 0 GFADRO CN([C@H]1CCC[N@H+](C)C1)S(=O)(=O)c1cc(Br)cc2cccnc21 ZINC000553840399 564739460 /nfs/dbraw/zinc/73/94/60/564739460.db2.gz UWIYSTPPMLBVIF-AWEZNQCLSA-N 1 0 398.326 2.712 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)Cc2ccccc2Br)[C@@H](C)C1 ZINC000553842126 564739762 /nfs/dbraw/zinc/73/97/62/564739762.db2.gz RAZVGUAGBNGAFB-BBRMVZONSA-N 1 0 389.359 2.941 20 0 GFADRO C[N@@H+]1CC[C@H](CNC(=O)[C@@H](N)c2cscn2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000578063089 564739988 /nfs/dbraw/zinc/73/99/88/564739988.db2.gz ZHLHOWXDMBCDBP-XFBWCDHKSA-N 1 0 382.892 2.745 20 0 GFADRO C[N@@H+]1CC[C@H](CNC(=O)[C@@H](N)c2cscn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000578063088 564740055 /nfs/dbraw/zinc/74/00/55/564740055.db2.gz ZHLHOWXDMBCDBP-RLCCDNCMSA-N 1 0 382.892 2.745 20 0 GFADRO Cc1cc(S(=O)(=O)N2CCCC[C@@H]2[C@H](C)[NH3+])c(F)cc1Br ZINC000578357107 564743343 /nfs/dbraw/zinc/74/33/43/564743343.db2.gz VSEAGCSOBAWSPY-GXFFZTMASA-N 1 0 379.295 2.787 20 0 GFADRO C[C@H](c1ccc(N2CCCS2(=O)=O)cc1)[N@H+](C)CCn1cc(Cl)cn1 ZINC000459419898 564743498 /nfs/dbraw/zinc/74/34/98/564743498.db2.gz BUUUFWUHUOGPLN-CQSZACIVSA-N 1 0 382.917 2.769 20 0 GFADRO C[C@H]1NC(=O)N(CC[NH2+][C@@H](CC2CC2)c2cc(F)cc(Br)c2)C1=O ZINC000459425491 564743621 /nfs/dbraw/zinc/74/36/21/564743621.db2.gz KQLYPZMVHRBKJL-BMIGLBTASA-N 1 0 398.276 2.959 20 0 GFADRO COc1c(Cl)cc(NC(=O)C(=O)NCC[N@H+]2CC=C(C)CC2)cc1Cl ZINC000578826406 564744091 /nfs/dbraw/zinc/74/40/91/564744091.db2.gz WCRHUTQZOIJNRE-UHFFFAOYSA-N 1 0 386.279 2.709 20 0 GFADRO CC(C)[C@@](C)([NH2+]CCN1C(=O)N[C@@H](C)C1=O)c1ccc(Br)cc1 ZINC000459426076 564744179 /nfs/dbraw/zinc/74/41/79/564744179.db2.gz IARMXOGEUASNPJ-YVEFUNNKSA-N 1 0 382.302 2.850 20 0 GFADRO C[C@H]1NC(=O)N(CC[NH+]2CCC(C)(c3ccc(Br)cc3)CC2)C1=O ZINC000459430618 564745013 /nfs/dbraw/zinc/74/50/13/564745013.db2.gz JCJZQMUYDHLLSK-CYBMUJFWSA-N 1 0 394.313 2.743 20 0 GFADRO COCCN(Cc1ccc(Br)s1)C(=O)NCC1CC[NH2+]CC1 ZINC000579211708 564745104 /nfs/dbraw/zinc/74/51/04/564745104.db2.gz HWJVTXLRVIJKQU-UHFFFAOYSA-N 1 0 390.347 2.668 20 0 GFADRO CCOc1cc(C[NH2+]Cc2ccnc3ccnn32)cc(Br)c1O ZINC000459474718 564746313 /nfs/dbraw/zinc/74/63/13/564746313.db2.gz ZLMZYRHKBWSDIR-UHFFFAOYSA-N 1 0 377.242 2.886 20 0 GFADRO CC(C)(C[NH2+]CCC(=O)Nc1cccc(Br)c1)C1(O)CCOCC1 ZINC000579344690 564747206 /nfs/dbraw/zinc/74/72/06/564747206.db2.gz LPPBKUSXGHMKCK-UHFFFAOYSA-N 1 0 399.329 2.935 20 0 GFADRO CS(=O)(=O)c1cc(C[NH2+]C[C@@H](O)CC(F)(F)F)cc(C(F)(F)F)c1 ZINC000579465691 564747973 /nfs/dbraw/zinc/74/79/73/564747973.db2.gz BXUKKDAQNNALFE-JTQLQIEISA-N 1 0 379.322 2.512 20 0 GFADRO OCc1cn([C@@H]2CCCC[C@@H]2[NH2+]Cc2cccc(O)c2Br)nn1 ZINC000459501030 564748099 /nfs/dbraw/zinc/74/80/99/564748099.db2.gz YTCKWFVTCNPZHP-UONOGXRCSA-N 1 0 381.274 2.512 20 0 GFADRO C[NH2+]CCC1CCN(S(=O)(=O)c2cc(OC)cc(C(F)(F)F)c2)CC1 ZINC000579473264 564748243 /nfs/dbraw/zinc/74/82/43/564748243.db2.gz NNUHIMMIROBFQS-UHFFFAOYSA-N 1 0 380.432 2.724 20 0 GFADRO C[C@@H]([NH2+][C@@H]1CCCN(S(=O)(=O)N(C)C)C1)c1cc(Cl)ccc1Cl ZINC000554096127 564750520 /nfs/dbraw/zinc/75/05/20/564750520.db2.gz XRYJICWPYNQZDU-DGCLKSJQSA-N 1 0 380.341 2.915 20 0 GFADRO CN(CC[N@H+](C)CCc1cccc(Cl)c1)c1ccc(S(N)(=O)=O)cc1 ZINC000459569212 564751454 /nfs/dbraw/zinc/75/14/54/564751454.db2.gz LXPFMTDYFKDMJQ-UHFFFAOYSA-N 1 0 381.929 2.598 20 0 GFADRO CC(C)[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000554142752 564752073 /nfs/dbraw/zinc/75/20/73/564752073.db2.gz MLUZLGIJXSWMDF-CRAIPNDOSA-N 1 0 383.945 2.710 20 0 GFADRO C[C@@H](Cc1ccc(F)cc1Br)[NH2+]C1CCN(S(C)(=O)=O)CC1 ZINC000579876929 564752798 /nfs/dbraw/zinc/75/27/98/564752798.db2.gz ZLOBXSZDVCALCF-NSHDSACASA-N 1 0 393.322 2.533 20 0 GFADRO C[C@@H]1CN(CC[NH2+]Cc2c[nH]nc2-c2ccc(Br)s2)CCO1 ZINC000527652493 564753242 /nfs/dbraw/zinc/75/32/42/564753242.db2.gz DXZLIDNPDRHMLS-LLVKDONJSA-N 1 0 385.331 2.711 20 0 GFADRO COCCC(=O)N1CCC([NH2+]Cc2ccc(Br)c(F)c2F)CC1 ZINC000527676552 564754184 /nfs/dbraw/zinc/75/41/84/564754184.db2.gz TZDUBDQNVMZJFK-UHFFFAOYSA-N 1 0 391.256 2.844 20 0 GFADRO O[C@H](C[NH2+]CCC1(O)CCC1)COc1ccc(Cl)cc1Br ZINC000580306186 564755293 /nfs/dbraw/zinc/75/52/93/564755293.db2.gz CHCDEJAVNAXCEB-GFCCVEGCSA-N 1 0 378.694 2.737 20 0 GFADRO Fc1c(Br)ccc(C[NH2+]C[C@@H]2COC3(CCOCC3)O2)c1F ZINC000527691551 564755414 /nfs/dbraw/zinc/75/54/14/564755414.db2.gz OIYGBALLSAYGLE-LLVKDONJSA-N 1 0 378.213 2.739 20 0 GFADRO C[NH+](C)CCOc1cc(CNCc2ncc(Br)cc2F)ccn1 ZINC000527689387 564755517 /nfs/dbraw/zinc/75/55/17/564755517.db2.gz YMMFAXCMPZKNFR-UHFFFAOYSA-N 1 0 383.265 2.608 20 0 GFADRO CCOC(=O)c1cc(Cl)cc(S(=O)(=O)N[C@@H](C)C[N@H+](C)C(C)C)c1 ZINC000489870975 564756386 /nfs/dbraw/zinc/75/63/86/564756386.db2.gz FWPKDCRBZSZDAL-LBPRGKRZSA-N 1 0 376.906 2.524 20 0 GFADRO [NH3+]CC[C@H]1CCCCN1CC(=O)Nc1c(F)cc(F)cc1Br ZINC000489911321 564757437 /nfs/dbraw/zinc/75/74/37/564757437.db2.gz RQPKCXBEQOEDRC-LLVKDONJSA-N 1 0 376.245 2.869 20 0 GFADRO C[C@@H](CCc1ccc(I)cc1)[NH2+][C@H](CO)c1ccnn1C ZINC000459725785 564758751 /nfs/dbraw/zinc/75/87/51/564758751.db2.gz XJUKZXUISYBNLD-SWLSCSKDSA-N 1 0 399.276 2.669 20 0 GFADRO CN(CCCNC(=O)[C@@H]1C[NH2+]C[C@H]1c1ccc(Cl)cc1)CC(F)(F)F ZINC000580461043 564759516 /nfs/dbraw/zinc/75/95/16/564759516.db2.gz OGCDBBCCTLEGCG-LSDHHAIUSA-N 1 0 377.838 2.643 20 0 GFADRO CO[C@@H]1COC[C@@H]1[NH2+][C@H](C)CCc1ccc(I)cc1 ZINC000459751283 564759788 /nfs/dbraw/zinc/75/97/88/564759788.db2.gz IFORDUIJNXCLHH-BYCMXARLSA-N 1 0 375.250 2.616 20 0 GFADRO Cc1cc(Br)cc(C[NH2+]C[C@H](O)[C@@H]2CCCO2)c1OC(F)F ZINC000527757196 564759865 /nfs/dbraw/zinc/75/98/65/564759865.db2.gz IOPFKACKYULROW-STQMWFEESA-N 1 0 380.229 2.988 20 0 GFADRO C[N@@H+]1CCC[C@@H](CNC(=O)NCc2cc(F)c(Br)cc2F)C1 ZINC000527800499 564761363 /nfs/dbraw/zinc/76/13/63/564761363.db2.gz NYIWIZLFTOPKFY-JTQLQIEISA-N 1 0 376.245 2.868 20 0 GFADRO C[C@]1(n2cc(C[NH2+]C[C@H]3CCCCC(F)(F)C3)cn2)CCS(=O)(=O)C1 ZINC000580511477 564761518 /nfs/dbraw/zinc/76/15/18/564761518.db2.gz WQSNFQAUENASOJ-HOCLYGCPSA-N 1 0 375.485 2.722 20 0 GFADRO COCC[N@H+](CCC(=O)Nc1ccc(Br)cc1F)[C@@H]1CCOC1 ZINC000490064764 564762220 /nfs/dbraw/zinc/76/22/20/564762220.db2.gz URMFXFLRKUBLDC-CYBMUJFWSA-N 1 0 389.265 2.654 20 0 GFADRO CC[C@H](Cc1ccccc1Br)[NH2+]C[C@H](O)CN1C[C@H](C)O[C@@H](C)C1 ZINC000580543680 564762997 /nfs/dbraw/zinc/76/29/97/564762997.db2.gz NOXAYLWJBVWCKV-ONIAQPFYSA-N 1 0 399.373 2.830 20 0 GFADRO O=C(NC[C@H]1CCC[NH2+]1)N1CCC[C@H](Nc2cccc(Br)c2)C1 ZINC000580533087 564763095 /nfs/dbraw/zinc/76/30/95/564763095.db2.gz BZXQTMDDQZRAJQ-CVEARBPZSA-N 1 0 381.318 2.787 20 0 GFADRO C[C@H](CNC(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)Oc1cccc(Br)c1 ZINC000580532261 564763285 /nfs/dbraw/zinc/76/32/85/564763285.db2.gz CXMUKRBGAWNZTN-HGTKMLMNSA-N 1 0 396.329 2.904 20 0 GFADRO Cc1ccc(I)cc1C(=O)N1CC[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000490238377 564766116 /nfs/dbraw/zinc/76/61/16/564766116.db2.gz DEOHZLONXFURDR-IUODEOHRSA-N 1 0 384.261 2.766 20 0 GFADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)C3=Cc4cc(Br)ccc4OC3)[C@H]2C1 ZINC000490226436 564766353 /nfs/dbraw/zinc/76/63/53/564766353.db2.gz BDQFKVOJICRBOQ-WBMJQRKESA-N 1 0 377.282 2.778 20 0 GFADRO CN(Cc1c(Cl)cccc1Cl)C(=O)C(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000459961884 564766287 /nfs/dbraw/zinc/76/62/87/564766287.db2.gz OGYRQNQSQWKFMN-UHFFFAOYSA-N 1 0 386.323 2.895 20 0 GFADRO C[C@H](CC(=O)NCCc1ccccc1)[NH2+]CCCn1cc(Br)cn1 ZINC000490364981 564769325 /nfs/dbraw/zinc/76/93/25/564769325.db2.gz IYVJRUMVJIHAIJ-OAHLLOKOSA-N 1 0 393.329 2.763 20 0 GFADRO O=C(N[C@@H](CO)C[NH+]1CCCCC1)c1cc2ccc(Br)cc2[nH]1 ZINC000554682333 564770038 /nfs/dbraw/zinc/77/00/38/564770038.db2.gz XYIXCHCPDLOBGR-CQSZACIVSA-N 1 0 380.286 2.507 20 0 GFADRO CS[C@@H]1CN(CC(=O)Nc2ccccc2Br)C[C@H]1[NH+]1CCCC1 ZINC000460353176 564774024 /nfs/dbraw/zinc/77/40/24/564774024.db2.gz PKAQOJNJJCTHAC-HZPDHXFCSA-N 1 0 398.370 2.899 20 0 GFADRO COCC[N@H+](C)CCNC(=O)NC(C)(C)c1ccc(Br)c(C)c1 ZINC000460346245 564774349 /nfs/dbraw/zinc/77/43/49/564774349.db2.gz AOUGUXDWQDUNAM-UHFFFAOYSA-N 1 0 386.334 2.870 20 0 GFADRO CSC1(CNC(=O)c2ccc(C[NH+]3CCSCC3)cc2)CCOCC1 ZINC000460644619 564777880 /nfs/dbraw/zinc/77/78/80/564777880.db2.gz CAGGXWORDXVVFH-UHFFFAOYSA-N 1 0 380.579 2.877 20 0 GFADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)Nc1cccc(Br)c1Cl ZINC000580965367 564781313 /nfs/dbraw/zinc/78/13/13/564781313.db2.gz MVTZPQAHSHXGTG-JTQLQIEISA-N 1 0 390.709 2.888 20 0 GFADRO CC(C)(CNC(=O)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O)c1ccccc1Br ZINC000581010271 564783724 /nfs/dbraw/zinc/78/37/24/564783724.db2.gz HRPCXZKWTSWLCG-AGUYFDCRSA-N 1 0 393.325 2.658 20 0 GFADRO O[C@@H](C[NH+]1CCC(Oc2cccc(Br)c2)CC1)CC1(O)CCC1 ZINC000528452262 564785753 /nfs/dbraw/zinc/78/57/53/564785753.db2.gz VPKIVODNBOWFDZ-OAHLLOKOSA-N 1 0 384.314 2.958 20 0 GFADRO O=C(Nc1ccc(CCn2cc(Br)cn2)cc1)[C@]12C[C@H]1CC[NH2+]2 ZINC000581067241 564786095 /nfs/dbraw/zinc/78/60/95/564786095.db2.gz DYPQHIGTSCXDHL-DYVFJYSZSA-N 1 0 375.270 2.579 20 0 GFADRO C[C@@H]([NH2+]CCCN1CCCC1=O)c1ccc(Br)cc1OCCCO ZINC000581105650 564787979 /nfs/dbraw/zinc/78/79/79/564787979.db2.gz NMNXFQZNKNOUJL-CQSZACIVSA-N 1 0 399.329 2.873 20 0 GFADRO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCN(c2ccccc2Br)C1=O ZINC000461035513 564788374 /nfs/dbraw/zinc/78/83/74/564788374.db2.gz ACKKDVZHHWAWNF-KGLIPLIRSA-N 1 0 396.329 2.647 20 0 GFADRO C[C@H](OC[C@H](O)C[NH2+][C@H]1CCC[C@H](S(C)(=O)=O)C1)c1ccc(Cl)cc1 ZINC000581127676 564788675 /nfs/dbraw/zinc/78/86/75/564788675.db2.gz ZMKIAXTUCOABRB-RUGDWHBFSA-N 1 0 389.945 2.724 20 0 GFADRO C[C@]1(Br)C[C@@H]1C(=O)Nc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000528543512 564792140 /nfs/dbraw/zinc/79/21/40/564792140.db2.gz ZVKMFZLQOYLJGF-QAPCUYQASA-N 1 0 394.313 2.624 20 0 GFADRO COCCC[N@H+](C)CCNS(=O)(=O)c1cc(Cl)cc(C(F)(F)F)c1 ZINC000491562769 564792826 /nfs/dbraw/zinc/79/28/26/564792826.db2.gz YCPGCHQUQOIHPA-UHFFFAOYSA-N 1 0 388.839 2.605 20 0 GFADRO CCCC[N@H+](C)C[C@H](C)NS(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1F ZINC000581213421 564793009 /nfs/dbraw/zinc/79/30/09/564793009.db2.gz HDMHAJCIBGWXLY-NSHDSACASA-N 1 0 393.912 2.836 20 0 GFADRO COC[C@H](C)OC[C@@H](O)C[NH2+][C@H]1CSc2ccc(Br)cc21 ZINC000581247242 564794339 /nfs/dbraw/zinc/79/43/39/564794339.db2.gz RKRMKOULFXUFIY-JKOKRWQUSA-N 1 0 376.316 2.598 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)CCC[N@@H+](C)[C@@]1(CO)CCOC1 ZINC000461373208 564795138 /nfs/dbraw/zinc/79/51/38/564795138.db2.gz OLKAHXLDOBASGL-GOSISDBHSA-N 1 0 399.329 2.868 20 0 GFADRO CC(C)[N@H+](C)CC(=O)N1CCN([C@@H](C)c2ccc(Br)cc2)CC1 ZINC000461425129 564796676 /nfs/dbraw/zinc/79/66/76/564796676.db2.gz MJLYSMSYJXLSKM-HNNXBMFYSA-N 1 0 382.346 2.995 20 0 GFADRO CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+]Cc2c(Cl)cccc2N2CCOCC2)C1 ZINC000555552173 564797740 /nfs/dbraw/zinc/79/77/40/564797740.db2.gz JHJDLQWQADZXSI-LSDHHAIUSA-N 1 0 386.945 2.622 20 0 GFADRO O=C(NC[C@H]1COCC[NH2+]1)Nc1ccc(Br)cc1C(F)(F)F ZINC000528675710 564800042 /nfs/dbraw/zinc/80/00/42/564800042.db2.gz RBEPJBUCMGJSPX-VIFPVBQESA-N 1 0 382.180 2.578 20 0 GFADRO C[C@@]1(C[C@H]2CCC[N@@H+]2Cc2cc(F)cc(Br)c2)NC(=O)NC1=O ZINC000581436589 564802329 /nfs/dbraw/zinc/80/23/29/564802329.db2.gz VQUNJAXHJHWBBC-CJNGLKHVSA-N 1 0 384.249 2.541 20 0 GFADRO CN(C)CC[N@H+](C)CCCN(C)C(=O)c1c(F)cc(Br)cc1F ZINC000581454088 564802997 /nfs/dbraw/zinc/80/29/97/564802997.db2.gz OKAAZNIHYNRCPD-UHFFFAOYSA-N 1 0 392.288 2.683 20 0 GFADRO C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[NH2+]CCS(=O)(=O)c1cccc(Br)c1 ZINC000528755758 564803798 /nfs/dbraw/zinc/80/37/98/564803798.db2.gz HYJGQURRXSJOQJ-UUIJZJDISA-N 1 0 376.316 2.624 20 0 GFADRO OC[C@H]1CCC[N@H+](C[C@H](O)COc2ccc(Cl)cc2Br)CC1 ZINC000555751966 564803989 /nfs/dbraw/zinc/80/39/89/564803989.db2.gz TYARGGWVTRZPJU-JSGCOSHPSA-N 1 0 392.721 2.937 20 0 GFADRO O=C(CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[S@@]2=O)Nc1ccccc1Br ZINC000528787337 564805722 /nfs/dbraw/zinc/80/57/22/564805722.db2.gz ZNNLNPCLXOZTAZ-GPAUDHNESA-N 1 0 385.327 2.763 20 0 GFADRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1cc(O)cc(Br)c1 ZINC000528850646 564808394 /nfs/dbraw/zinc/80/83/94/564808394.db2.gz LTHKTOYPQGRKKV-IAGOWNOFSA-N 1 0 397.313 2.652 20 0 GFADRO CC[N@H+](CCNC(=O)C(=O)Nc1ccc(Br)c(C2CC2)n1)C(C)C ZINC000555940733 564808781 /nfs/dbraw/zinc/80/87/81/564808781.db2.gz XPUFZSXNXMRLAW-UHFFFAOYSA-N 1 0 397.317 2.507 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCC[C@]1(C)CO)C(=O)N(C)Cc1ccc(Br)cc1 ZINC000493657979 564809561 /nfs/dbraw/zinc/80/95/61/564809561.db2.gz NPWYWPCFOCWQET-FDQGKXFDSA-N 1 0 383.330 2.937 20 0 GFADRO [NH3+]C[C@H]1CCCC[C@@]12NC(=O)N(CCOc1cc(Cl)ccc1Cl)C2=O ZINC000581605895 564809765 /nfs/dbraw/zinc/80/97/65/564809765.db2.gz FSWBXYSZFDYQKM-PIGZYNQJSA-N 1 0 386.279 2.812 20 0 GFADRO C[C@]1(Br)C[C@H]1C(=O)NCCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000528962328 564811751 /nfs/dbraw/zinc/81/17/51/564811751.db2.gz DFJQCGQSNGACAM-HKUYNNGSSA-N 1 0 395.341 2.993 20 0 GFADRO CS(=O)(=O)CC1CCC([NH2+]C[C@H](CO)Cc2c(F)cccc2Cl)CC1 ZINC000556092730 564812377 /nfs/dbraw/zinc/81/23/77/564812377.db2.gz CVADQYDJUNQSAT-SHARSMKWSA-N 1 0 391.936 2.823 20 0 GFADRO C[C@@H]1CC[C@@H]([N@H+](CCO)CC(=O)N(C)Cc2cc(Br)cs2)C1 ZINC000556072692 564812638 /nfs/dbraw/zinc/81/26/38/564812638.db2.gz OVBWZXDQMUXWSP-TZMCWYRMSA-N 1 0 389.359 2.952 20 0 GFADRO COc1cc(C[NH2+][C@@H]2CCO[C@H](c3nccn3C)C2)c(Br)cc1O ZINC000556156259 564814143 /nfs/dbraw/zinc/81/41/43/564814143.db2.gz UDXRHDIWYHXHRV-WBMJQRKESA-N 1 0 396.285 2.907 20 0 GFADRO CC[NH+]1CCN([C@H]2CCN(C(=O)N[C@@H]3CCc4sc(Cl)cc43)C2)CC1 ZINC000462059107 564814479 /nfs/dbraw/zinc/81/44/79/564814479.db2.gz IMBSNRQTMJQHJE-DZGCQCFKSA-N 1 0 382.961 2.810 20 0 GFADRO CC[C@@H]1C[N@H+](C)CCCN1S(=O)(=O)CCc1ccccc1Br ZINC000462071204 564815862 /nfs/dbraw/zinc/81/58/62/564815862.db2.gz CNBGJKLFRLDSNE-OAHLLOKOSA-N 1 0 389.359 2.738 20 0 GFADRO CC(=O)NCCN(Cc1ccc(Br)s1)Cc1ncccc1O ZINC000581753131 564816972 /nfs/dbraw/zinc/81/69/72/564816972.db2.gz KGKSIHUMYQSSMI-UHFFFAOYSA-N 1 0 384.299 2.750 20 0 GFADRO CC1CCN(CC[NH2+]CCS(=O)(=O)c2cccc(Br)c2)CC1 ZINC000581809246 564818611 /nfs/dbraw/zinc/81/86/11/564818611.db2.gz IAUUELFNSLRTKM-UHFFFAOYSA-N 1 0 389.359 2.544 20 0 GFADRO C[C@H]1C[N@H+](C[C@H](O)COc2cc(F)cc(Br)c2)CC2(CCC2)O1 ZINC000581942016 564824036 /nfs/dbraw/zinc/82/40/36/564824036.db2.gz QGXNMELZDDADAV-WFASDCNBSA-N 1 0 388.277 2.971 20 0 GFADRO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)NCc2cc(Br)cc3c2OCC3)C1 ZINC000462199029 564826364 /nfs/dbraw/zinc/82/63/64/564826364.db2.gz KQPSCKKXRGCBPJ-BLLLJJGKSA-N 1 0 396.329 2.912 20 0 GFADRO O=C(N[C@@H]1CC[NH2+]C12CCC2)N[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000529300317 564828616 /nfs/dbraw/zinc/82/86/16/564828616.db2.gz BVBWAFYDEJXNMQ-GOEBONIOSA-N 1 0 393.329 2.612 20 0 GFADRO C[C@H]([NH2+][C@@H](c1cncc(Br)c1)C1CC1)C(=O)NC[C@@H]1CCCO1 ZINC000556515076 564828957 /nfs/dbraw/zinc/82/89/57/564828957.db2.gz NXTVZEIBBOAYOS-KNXALSJPSA-N 1 0 382.302 2.569 20 0 GFADRO O=C(NCc1ccc(Br)cc1)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000529306222 564829515 /nfs/dbraw/zinc/82/95/15/564829515.db2.gz KFYLJOSETNPVRF-KRWDZBQOSA-N 1 0 396.329 2.749 20 0 GFADRO CNC(=O)c1cccc(NC(=O)N2CC[N@H+](C)C[C@@H]2C(C)C)c1Br ZINC000494473192 564831666 /nfs/dbraw/zinc/83/16/66/564831666.db2.gz MLNRYNCTZLUYTB-CQSZACIVSA-N 1 0 397.317 2.613 20 0 GFADRO COC(=O)c1cn(CC[NH2+][C@@H]2CCCOc3c(Cl)c(Cl)ccc32)nn1 ZINC000556605835 564831913 /nfs/dbraw/zinc/83/19/13/564831913.db2.gz KDZKWTKNQKPFEX-GFCCVEGCSA-N 1 0 385.251 2.875 20 0 GFADRO COC(=O)c1cn(CC[NH2+][C@H]2CCc3c2cc(Br)cc3Cl)nn1 ZINC000556608044 564832294 /nfs/dbraw/zinc/83/22/94/564832294.db2.gz DLZWJORNBHALRP-ZDUSSCGKSA-N 1 0 399.676 2.758 20 0 GFADRO Cc1cc([C@H]2CCCN2C(=O)NC[C@@H]2COCC[NH2+]2)ccc1Br ZINC000529377427 564832254 /nfs/dbraw/zinc/83/22/54/564832254.db2.gz NXBXCODCFXJMFH-GDBMZVCRSA-N 1 0 382.302 2.592 20 0 GFADRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)NCc3cc(F)c(Br)cc3F)C[C@@H]21 ZINC000529370552 564832263 /nfs/dbraw/zinc/83/22/63/564832263.db2.gz QEZJCUKUNMUOIW-CCUNJIBTSA-N 1 0 388.256 2.996 20 0 GFADRO C[C@@H](NC(=O)CC[C@H]1CCC[NH2+]1)c1cc2c(cc1Br)OCCO2 ZINC000494527098 564832421 /nfs/dbraw/zinc/83/24/21/564832421.db2.gz JHAVQSLGZSRWMQ-VXGBXAGGSA-N 1 0 383.286 2.930 20 0 GFADRO Cc1ccsc1[C@H](CO)[NH2+]C[C@@H](O)COc1ccc(Br)cc1 ZINC000494651181 564836209 /nfs/dbraw/zinc/83/62/09/564836209.db2.gz AQQHUYSLVLNMGD-HIFRSBDPSA-N 1 0 386.311 2.882 20 0 GFADRO O=C(CC[C@H]1CCC[NH2+]1)N1CCN(C(=O)c2cc3sccc3s2)CC1 ZINC000494651382 564836328 /nfs/dbraw/zinc/83/63/28/564836328.db2.gz VJFGQVQVHUENSI-CYBMUJFWSA-N 1 0 377.535 2.779 20 0 GFADRO O=C(Nc1ccc(Br)c(C(F)(F)F)c1)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000556710983 564836703 /nfs/dbraw/zinc/83/67/03/564836703.db2.gz USHJVXQBCRQJDU-ZDUSSCGKSA-N 1 0 392.219 2.796 20 0 GFADRO CC[NH+](CC)CCN(CC(C)C)S(=O)(=O)c1csc(C(=O)OC)c1 ZINC000462435610 564839540 /nfs/dbraw/zinc/83/95/40/564839540.db2.gz HLZIJUZPICUMCI-UHFFFAOYSA-N 1 0 376.544 2.523 20 0 GFADRO CC(C)(O)C[NH+]1CCN(Cc2c[nH]nc2-c2ccc(Br)s2)CC1 ZINC000529527165 564840161 /nfs/dbraw/zinc/84/01/61/564840161.db2.gz DCMTVFNPUUECAQ-UHFFFAOYSA-N 1 0 399.358 2.789 20 0 GFADRO COCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(Br)c(C(F)(F)F)c2)C1 ZINC000494833028 564842185 /nfs/dbraw/zinc/84/21/85/564842185.db2.gz GEYCHSQDVDMTDD-LLVKDONJSA-N 1 0 395.219 2.918 20 0 GFADRO [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)c1cnn(-c2ccc(Br)cc2)c1 ZINC000582359612 564842981 /nfs/dbraw/zinc/84/29/81/564842981.db2.gz WYWIQYOMSQYKQQ-QFPCPSKISA-N 1 0 389.297 2.881 20 0 GFADRO C[N@H+](Cc1c[nH]nc1-c1ccc(Br)s1)[C@H]1CCN2CCO[C@H]1C2 ZINC000529582330 564843044 /nfs/dbraw/zinc/84/30/44/564843044.db2.gz PPESKZKDJFAOMT-STQMWFEESA-N 1 0 397.342 2.806 20 0 GFADRO O=C(CCCc1cc(Cl)sc1Cl)NC[C@@]1(O)C[NH+]2CCC1CC2 ZINC000556850029 564843669 /nfs/dbraw/zinc/84/36/69/564843669.db2.gz GKLRYILSAJNERV-MRXNPFEDSA-N 1 0 377.337 2.951 20 0 GFADRO Cc1cc(S(=O)(=O)N(C)[C@@H]2CCC[N@H+](C)C2)c(C)cc1Br ZINC000462497524 564844272 /nfs/dbraw/zinc/84/42/72/564844272.db2.gz YGXVCGQADAFVPP-CYBMUJFWSA-N 1 0 375.332 2.781 20 0 GFADRO C[C@@H](CNS(=O)(=O)c1ccc(Br)c(F)c1)[NH+]1CCC(C)CC1 ZINC000462510427 564844412 /nfs/dbraw/zinc/84/44/12/564844412.db2.gz LNCTXSSQAHEKJX-LBPRGKRZSA-N 1 0 393.322 2.987 20 0 GFADRO O=C(COc1ccc(Br)cc1)N1CC[NH+](C[C@H]2CCSC2)CC1 ZINC000494951166 564845043 /nfs/dbraw/zinc/84/50/43/564845043.db2.gz AYGYDWZSAPRENR-CQSZACIVSA-N 1 0 399.354 2.725 20 0 GFADRO C[C@@H](NC(=O)C1(c2ccc(Cl)c(Cl)c2)CCC1)C(=O)NCC[NH+](C)C ZINC000556903313 564845445 /nfs/dbraw/zinc/84/54/45/564845445.db2.gz KDJKFMUHQOYGQX-GFCCVEGCSA-N 1 0 386.323 2.598 20 0 GFADRO Cc1cc(Br)c(S(=O)(=O)NC[C@@H](C)C[NH+]2CCCC2)s1 ZINC000462539599 564846380 /nfs/dbraw/zinc/84/63/80/564846380.db2.gz XBKQKPNZCOIJKN-SNVBAGLBSA-N 1 0 381.361 2.829 20 0 GFADRO COC(=O)c1cccc(NC(=O)N[C@H]2CCC[N@H+](C)[C@H]2C)c1Br ZINC000495031398 564846620 /nfs/dbraw/zinc/84/66/20/564846620.db2.gz RNVDLSAEPWAOOM-JQWIXIFHSA-N 1 0 384.274 2.840 20 0 GFADRO C[C@@H]([NH2+]C[C@@H](N1CCOCC1)C(F)(F)F)c1ccc(Br)cn1 ZINC000556924750 564846607 /nfs/dbraw/zinc/84/66/07/564846607.db2.gz VTUBUGMJJLYNHE-ZWNOBZJWSA-N 1 0 382.224 2.758 20 0 GFADRO O=C(Nc1cnc2c(Br)cccn12)c1cc(-n2ccnc2)ccn1 ZINC000582436185 564846797 /nfs/dbraw/zinc/84/67/97/564846797.db2.gz BFZIPNAMQNKYPF-UHFFFAOYSA-N 1 0 383.209 2.930 20 0 GFADRO C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+][C@@H](C)C1(S(C)(=O)=O)CC1 ZINC000556922904 564846871 /nfs/dbraw/zinc/84/68/71/564846871.db2.gz YDAGRTOFSCPYIP-KBPBESRZSA-N 1 0 386.945 2.632 20 0 GFADRO C[C@H](CCCC[NH3+])NC(=O)CCNC(=O)Nc1ccc(Br)cc1 ZINC000495124659 564849820 /nfs/dbraw/zinc/84/98/20/564849820.db2.gz WYSPJUHGSFUWTH-GFCCVEGCSA-N 1 0 385.306 2.594 20 0 GFADRO CCCN(CCC[NH+](C)C)C(=O)C(=O)NCCc1cc(Cl)cc(Cl)c1 ZINC000557017654 564850630 /nfs/dbraw/zinc/85/06/30/564850630.db2.gz AYLSIZIGCOMCPQ-UHFFFAOYSA-N 1 0 388.339 2.842 20 0 GFADRO CCC[NH2+]CCNC(=O)C(=O)Nc1ccc(C(F)(F)F)c(Br)c1 ZINC000557002127 564850943 /nfs/dbraw/zinc/85/09/43/564850943.db2.gz CPNOUXXDRZCQQY-UHFFFAOYSA-N 1 0 396.207 2.522 20 0 GFADRO CC[C@@H]1C[N@H+](C)CCCN1S(=O)(=O)c1ccc(OC)cc1Br ZINC000582574071 564853061 /nfs/dbraw/zinc/85/30/61/564853061.db2.gz BTMOOJDXSRGHCI-GFCCVEGCSA-N 1 0 391.331 2.563 20 0 GFADRO [NH3+][C@@H]1CCC[C@H](CNS(=O)(=O)c2c(Cl)cccc2Br)C1 ZINC000582606738 564853532 /nfs/dbraw/zinc/85/35/32/564853532.db2.gz XLRZJXDIBGHXIX-VHSXEESVSA-N 1 0 381.723 2.898 20 0 GFADRO C[C@@H]1[C@@H](NC(=O)NCc2cc(Br)cc3c2OCC3)CCC[N@@H+]1C ZINC000462713929 564857386 /nfs/dbraw/zinc/85/73/86/564857386.db2.gz JIKWHSDHCHPQOX-ABAIWWIYSA-N 1 0 382.302 2.666 20 0 GFADRO C[C@@H]1CC[N@H+](C)CCN1c1ncnc2ccc(I)cc21 ZINC000462839799 564859709 /nfs/dbraw/zinc/85/97/09/564859709.db2.gz KWJDZZAEAKWQHS-LLVKDONJSA-N 1 0 382.249 2.765 20 0 GFADRO CCN1C[C@H]([NH2+][C@H]2CCN(c3ccc(Br)c(C)c3)C2=O)[C@@H](C)C1 ZINC000462842403 564859862 /nfs/dbraw/zinc/85/98/62/564859862.db2.gz QVLQGIMMYIHIOV-JQFCIGGWSA-N 1 0 380.330 2.793 20 0 GFADRO CCC(=O)N1CC[C@H](C(=O)N[C@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)C1 ZINC000530031807 564860702 /nfs/dbraw/zinc/86/07/02/564860702.db2.gz NDTDUFQZGUGRHF-XJKSGUPXSA-N 1 0 386.323 2.971 20 0 GFADRO CCCN(CC(=O)Nc1ccc(Cl)cc1)C(=O)C[N@H+](C)[C@H]1CCSC1 ZINC000496864053 564861144 /nfs/dbraw/zinc/86/11/44/564861144.db2.gz KBQYEPFOKDOJEU-INIZCTEOSA-N 1 0 383.945 2.954 20 0 GFADRO C[C@H](Oc1ccc(F)cc1Br)C(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000462879090 564861172 /nfs/dbraw/zinc/86/11/72/564861172.db2.gz PPVDLKXXQQOQEB-VZJVUDMVSA-N 1 0 385.277 2.860 20 0 GFADRO O=C(N[C@@H]1C[C@H]1C1CC[NH2+]CC1)c1cnn(-c2cccc(Br)c2)c1 ZINC000462892855 564862064 /nfs/dbraw/zinc/86/20/64/564862064.db2.gz CHAZOMXWWAMRKB-DLBZAZTESA-N 1 0 389.297 2.753 20 0 GFADRO Cc1ccc(C[N@H+]2CC[C@H](CN(C)C(=O)c3cc(C(N)=O)cs3)C2)s1 ZINC000582812425 564863241 /nfs/dbraw/zinc/86/32/41/564863241.db2.gz FVGDPUZPDSNLSY-CYBMUJFWSA-N 1 0 377.535 2.811 20 0 GFADRO C[C@H](CNC(=O)C(=O)N1CC[N@H+](C)CC[C@@H]1C)c1c(Cl)cccc1Cl ZINC000557456826 564864612 /nfs/dbraw/zinc/86/46/12/564864612.db2.gz VOAFMLUHTDWEJQ-OLZOCXBDSA-N 1 0 386.323 2.766 20 0 GFADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)NCCc3cc(Br)ccc3F)[C@H]2C1 ZINC000497480661 564868459 /nfs/dbraw/zinc/86/84/59/564868459.db2.gz DWGINFTXSKMIRD-WBMJQRKESA-N 1 0 384.293 2.866 20 0 GFADRO COCCN(CC[NH+](C)C)C(=O)Nc1cc(C)c(Br)cc1F ZINC000497453394 564868487 /nfs/dbraw/zinc/86/84/87/564868487.db2.gz QFISBLMRIVAAOR-UHFFFAOYSA-N 1 0 376.270 2.939 20 0 GFADRO O=C(NC[C@@H]1CC[N@@H+]1C1CCCC1)c1nc(C2CC2)ncc1Br ZINC000530192615 564871246 /nfs/dbraw/zinc/87/12/46/564871246.db2.gz GIYBHNGWJXGRCE-ZDUSSCGKSA-N 1 0 379.302 2.863 20 0 GFADRO C[C@@H](COc1ccc2cc(Br)ccc2c1)[NH2+]C[C@@H]1COCCN1 ZINC000530219581 564872692 /nfs/dbraw/zinc/87/26/92/564872692.db2.gz GWGOZBRORIXNRG-SUMWQHHRSA-N 1 0 379.298 2.948 20 0 GFADRO COc1ccc(CN2CCC(CO[C@H]3CC[NH2+]C3)CC2)c(Br)c1O ZINC000530248304 564873152 /nfs/dbraw/zinc/87/31/52/564873152.db2.gz IMZUJLHGGAYQED-HNNXBMFYSA-N 1 0 399.329 2.754 20 0 GFADRO [NH3+]C[C@H]1CN(Cc2ccc(Br)c(F)c2F)CC12CCOCC2 ZINC000530220066 564873170 /nfs/dbraw/zinc/87/31/70/564873170.db2.gz IGJAAGPHRAAUOG-LBPRGKRZSA-N 1 0 375.257 2.915 20 0 GFADRO CC(C)C[NH+]1CCN(C(=O)NCc2cc(Br)cc3c2OCC3)CC1 ZINC000463253923 564873612 /nfs/dbraw/zinc/87/36/12/564873612.db2.gz HLQULQYGSYBVHT-UHFFFAOYSA-N 1 0 396.329 2.867 20 0 GFADRO Cc1cc(NC(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)c(F)cc1Br ZINC000497750526 564874657 /nfs/dbraw/zinc/87/46/57/564874657.db2.gz OHJCFGPYWIAJFB-RYUDHWBXSA-N 1 0 398.276 2.578 20 0 GFADRO CC(=O)N[C@H](CC(=O)NCCC[N@@H+](C)C(C)C)c1ccc(Br)cc1 ZINC000497756164 564875672 /nfs/dbraw/zinc/87/56/72/564875672.db2.gz FFGBNPORBIJBKC-QGZVFWFLSA-N 1 0 398.345 2.863 20 0 GFADRO O=S(=O)(Cc1ccccc1Br)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000557812183 564877926 /nfs/dbraw/zinc/87/79/26/564877926.db2.gz PZHIMNIKOIWONF-OAHLLOKOSA-N 1 0 387.343 2.839 20 0 GFADRO COc1cc(C[NH2+]C[C@@H]2CS(=O)(=O)c3ccccc3O2)ccc1SC ZINC000583144270 564878807 /nfs/dbraw/zinc/87/88/07/564878807.db2.gz YWEUXPVYHVQYNA-CQSZACIVSA-N 1 0 379.503 2.742 20 0 GFADRO COC(=O)c1cccc(Cc2cnc(NC(=O)[C@@H]([NH3+])CCSC)s2)c1 ZINC000497940959 564880052 /nfs/dbraw/zinc/88/00/52/564880052.db2.gz ZMQHBAOTFHKUGV-AWEZNQCLSA-N 1 0 379.507 2.539 20 0 GFADRO C[C@H](NC(=O)NCC[N@H+](C)C1CCCCC1)c1ncc(Br)cn1 ZINC000583188610 564880081 /nfs/dbraw/zinc/88/00/81/564880081.db2.gz NJXIDFWQRYCADF-LBPRGKRZSA-N 1 0 384.322 2.864 20 0 GFADRO Cc1cc(S(=O)(=O)NCC[NH2+][C@@H]2CCCC[C@H]2[C@@H]2CCOC2)c(C)s1 ZINC000530439880 564882976 /nfs/dbraw/zinc/88/29/76/564882976.db2.gz ZANDVIFMUPSBFP-IXDOHACOSA-N 1 0 386.583 2.828 20 0 GFADRO CN1CC[NH2+]C[C@H]1CNC(=O)Nc1ccc(Br)c2ccccc12 ZINC000583310130 564886407 /nfs/dbraw/zinc/88/64/07/564886407.db2.gz OKQBRYPCZAGALZ-LBPRGKRZSA-N 1 0 377.286 2.627 20 0 GFADRO COc1nc(C)c(Br)cc1C(=O)N1CC[N@@H+]([C@@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000558020472 564888783 /nfs/dbraw/zinc/88/87/83/564888783.db2.gz AZFRJMYAFMCSMX-MQIPJXDCSA-N 1 0 396.329 2.963 20 0 GFADRO Cc1sc2nc(CS[C@@H](C)C(=O)N[C@@H](C)C[NH+](C)C)[nH]c(=O)c2c1C ZINC000558032571 564889110 /nfs/dbraw/zinc/88/91/10/564889110.db2.gz UMNXPKBEMVJOQX-CABZTGNLSA-N 1 0 382.555 2.702 20 0 GFADRO C[N@H+](C[C@H](O)COc1ccc(Cl)cc1Br)C1CCOCC1 ZINC000530627384 564889565 /nfs/dbraw/zinc/88/95/65/564889565.db2.gz WUZYFOMBVCHPEP-ZDUSSCGKSA-N 1 0 378.694 2.953 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)N1CC[C@@](O)(C(F)(F)F)C1)c1ccc(Cl)cc1 ZINC000530638427 564889853 /nfs/dbraw/zinc/88/98/53/564889853.db2.gz DBKBGCRMZFKIOV-HIFRSBDPSA-N 1 0 379.810 2.651 20 0 GFADRO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)CNC(=O)c1sc2ccccc2c1Cl ZINC000583439611 564890807 /nfs/dbraw/zinc/89/08/07/564890807.db2.gz BGLYXCMTCQOJLJ-YPMHNXCESA-N 1 0 379.913 2.918 20 0 GFADRO O=C(CC[NH2+]Cc1ccc(OCCO)cc1)Nc1ccc(Br)cc1 ZINC000583441080 564890984 /nfs/dbraw/zinc/89/09/84/564890984.db2.gz LQDKIKAOAYZGQP-UHFFFAOYSA-N 1 0 393.281 2.939 20 0 GFADRO [NH3+]C[C@H]1CCCC[C@H]1NC(=O)CNC(=O)c1sc2ccccc2c1Cl ZINC000583439609 564891076 /nfs/dbraw/zinc/89/10/76/564891076.db2.gz BGLYXCMTCQOJLJ-DGCLKSJQSA-N 1 0 379.913 2.918 20 0 GFADRO O=C([C@H](c1ccc(Br)cc1)N1CCCC1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000583439629 564891343 /nfs/dbraw/zinc/89/13/43/564891343.db2.gz DCFLHVPCILNQOD-SQNIBIBYSA-N 1 0 392.341 2.939 20 0 GFADRO Cc1nc(C)c(S(=O)(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)s1 ZINC000530716893 564892450 /nfs/dbraw/zinc/89/24/50/564892450.db2.gz IYKGCNUFDYDDNZ-SUMWQHHRSA-N 1 0 379.551 2.949 20 0 GFADRO C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)[C@@H]([NH3+])CC(F)F)CC1 ZINC000498217308 564892919 /nfs/dbraw/zinc/89/29/19/564892919.db2.gz RVHWFCAXVCUVCR-RISCZKNCSA-N 1 0 390.272 2.637 20 0 GFADRO C[C@@H]1C[NH+]([C@@H]2CC(=O)N(c3ccc(I)cc3)C2=O)C[C@H]1C ZINC000530728389 564893414 /nfs/dbraw/zinc/89/34/14/564893414.db2.gz UMNWPIOIWFTSQV-JTNHKYCSSA-N 1 0 398.244 2.511 20 0 GFADRO CCOc1cc(C[NH2+][C@H]2CCC[C@@H]2C(=O)NC)cc(Br)c1OC ZINC000498364761 564896802 /nfs/dbraw/zinc/89/68/02/564896802.db2.gz QTNQSBPAORUWRE-JSGCOSHPSA-N 1 0 385.302 2.861 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCCN(S(=O)(=O)N(C)C)C1)c1ccccc1C(F)(F)F ZINC000558260297 564897210 /nfs/dbraw/zinc/89/72/10/564897210.db2.gz ZMOKKDQLUOHJNF-QWHCGFSZSA-N 1 0 379.448 2.627 20 0 GFADRO C[C@@H]1c2cc(Cl)c(Cl)cc2CCN1C(=O)C(=O)N1CCC[C@H](C[NH3+])C1 ZINC000583625206 564899623 /nfs/dbraw/zinc/89/96/23/564899623.db2.gz TVDUBRKZYDYRTE-VXGBXAGGSA-N 1 0 384.307 2.636 20 0 GFADRO CC[N@@H+]1C[C@H](C)N(C(=O)c2cc(Br)c3c(c2)OCCO3)C[C@@H]1C ZINC000498572360 564902660 /nfs/dbraw/zinc/90/26/60/564902660.db2.gz OWNQLLNDQFGEDR-RYUDHWBXSA-N 1 0 383.286 2.775 20 0 GFADRO O[C@H](C[NH2+]CCN1CCc2c(Cl)cccc2C1)COCc1cccs1 ZINC000583689260 564903086 /nfs/dbraw/zinc/90/30/86/564903086.db2.gz CBFPIGOSLZKFQY-MRXNPFEDSA-N 1 0 380.941 2.927 20 0 GFADRO CC(C)C[C@@H](C[NH3+])NC(=O)c1ncc(Br)cc1Br ZINC000583687999 564903538 /nfs/dbraw/zinc/90/35/38/564903538.db2.gz AKHAWCOUSXSBPL-VIFPVBQESA-N 1 0 379.096 2.710 20 0 GFADRO CC[NH+](CC)C[C@@H](C)NC(=O)NCC(=O)Nc1ccc(Br)c(C)c1 ZINC000531246553 564904773 /nfs/dbraw/zinc/90/47/73/564904773.db2.gz WBAALVVQIZYOFQ-CYBMUJFWSA-N 1 0 399.333 2.726 20 0 GFADRO CC(C)[C@H](NC(=O)c1ccccc1Br)C(=O)N[C@H](C)CC[NH+](C)C ZINC000498651513 564904967 /nfs/dbraw/zinc/90/49/67/564904967.db2.gz JODWONCKJIDFFG-CJNGLKHVSA-N 1 0 398.345 2.660 20 0 GFADRO [NH3+]C[C@H]1CC[C@H](CNC(=O)Cc2cccc(I)c2)CC1 ZINC000583751520 564905924 /nfs/dbraw/zinc/90/59/24/564905924.db2.gz BUQDRIVUQQHQBC-JOCQHMNTSA-N 1 0 386.277 2.715 20 0 GFADRO OC[C@H](C[NH2+]Cc1c[nH]c2nccnc12)Cc1ccc(Br)cc1 ZINC000558575888 564906904 /nfs/dbraw/zinc/90/69/04/564906904.db2.gz ZXYPQRUNBQTSDR-ZDUSSCGKSA-N 1 0 375.270 2.613 20 0 GFADRO CC[N@H+](C)CCNC(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000498741332 564907313 /nfs/dbraw/zinc/90/73/13/564907313.db2.gz UPZRFIPTZOSNGN-CQSZACIVSA-N 1 0 386.323 2.914 20 0 GFADRO O=C(CC[N@@H+]1CCCC[C@@H]1[C@@H]1CNC(=O)C1)Nc1ccccc1Br ZINC000583798596 564908035 /nfs/dbraw/zinc/90/80/35/564908035.db2.gz RVBQFWOEQHPFSU-XJKSGUPXSA-N 1 0 394.313 2.768 20 0 GFADRO COC(=O)C[C@@]1([NH2+]Cc2cccc(Br)c2OC(F)F)CCOC1 ZINC000464601893 564912524 /nfs/dbraw/zinc/91/25/24/564912524.db2.gz NIOJFISABMGSPU-HNNXBMFYSA-N 1 0 394.212 2.862 20 0 GFADRO O=S(=O)(c1cc(F)ccc1Br)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000583934737 564913175 /nfs/dbraw/zinc/91/31/75/564913175.db2.gz SUQUXKIKXHMYPX-NEPJUHHUSA-N 1 0 391.306 2.598 20 0 GFADRO CS(=O)(=O)NCCC[NH2+][C@H]1CCCCc2cc(Br)ccc21 ZINC000558919605 564917621 /nfs/dbraw/zinc/91/76/21/564917621.db2.gz LYABNWKCYWSBOX-HNNXBMFYSA-N 1 0 375.332 2.746 20 0 GFADRO C[NH+]1CCC(CCO)(NC(=O)c2cc(Br)ccc2Cl)CC1 ZINC000499120616 564918527 /nfs/dbraw/zinc/91/85/27/564918527.db2.gz ZBHIAQRABIUVKM-UHFFFAOYSA-N 1 0 375.694 2.679 20 0 GFADRO COc1ccc(Br)cc1CNC(=O)N1CC[N@H+](C)C[C@H]1C(C)C ZINC000531771637 564920188 /nfs/dbraw/zinc/92/01/88/564920188.db2.gz KREUWEKUXRFDHH-HNNXBMFYSA-N 1 0 384.318 2.939 20 0 GFADRO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N[C@@H](c1ccc(Br)cc1)C1CCC1 ZINC000584232239 564926554 /nfs/dbraw/zinc/92/65/54/564926554.db2.gz LIFBNYNFRGGMSJ-MQIPJXDCSA-N 1 0 396.329 2.649 20 0 GFADRO CC(C)[C@@H](O)C1(C[NH2+]C[C@@H](O)COc2cc(F)cc(Br)c2)CC1 ZINC000584292124 564929353 /nfs/dbraw/zinc/92/93/53/564929353.db2.gz VGDOMPMRCNVNKB-GDBMZVCRSA-N 1 0 390.293 2.715 20 0 GFADRO CC(=O)N[C@H](CC(=O)NCCC[NH2+]C(C)C)c1ccc(Br)cc1 ZINC000584291892 564929582 /nfs/dbraw/zinc/92/95/82/564929582.db2.gz LZSCAFNRLIEBTM-MRXNPFEDSA-N 1 0 384.318 2.521 20 0 GFADRO CC[C@H](CSC)N(C)C(=O)C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000559400811 564932034 /nfs/dbraw/zinc/93/20/34/564932034.db2.gz RRQWGFRWMJRHAO-HUUCEWRRSA-N 1 0 383.583 2.601 20 0 GFADRO CC(=O)NCCC[NH2+][C@H](C)c1nnn(-c2cccc(Br)c2)c1C ZINC000532198948 564932492 /nfs/dbraw/zinc/93/24/92/564932492.db2.gz ZRIIPQXPGRESIW-LLVKDONJSA-N 1 0 380.290 2.515 20 0 GFADRO O[C@H](CN1CCOCC1)C[N@@H+]1CCCC[C@@H]1Cc1ccccc1Br ZINC000559479851 564933851 /nfs/dbraw/zinc/93/38/51/564933851.db2.gz UVABZQNAFVPSIC-QZTJIDSGSA-N 1 0 397.357 2.539 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@H](C)Oc1cccc(Br)c1 ZINC000466008681 564934672 /nfs/dbraw/zinc/93/46/72/564934672.db2.gz MDOKOLMTHNEJBJ-DZGCQCFKSA-N 1 0 384.318 3.000 20 0 GFADRO C[C@H](CNC(=O)N1CCC[C@@H]([NH+](C)C)C1)Oc1cccc(Br)c1 ZINC000466295223 564936712 /nfs/dbraw/zinc/93/67/12/564936712.db2.gz CSQGBRUVRJOACI-UKRRQHHQSA-N 1 0 384.318 2.952 20 0 GFADRO CC[NH+](CC)CCS(=O)(=O)N(C)CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000559639437 564938446 /nfs/dbraw/zinc/93/84/46/564938446.db2.gz BRQXSPHQUBSOCZ-UHFFFAOYSA-N 1 0 396.340 2.535 20 0 GFADRO C[C@@H](CNC(=O)N1CCC[C@@H]([NH+](C)C)C1)Oc1ccc(Br)cc1 ZINC000466366705 564939171 /nfs/dbraw/zinc/93/91/71/564939171.db2.gz KUHGXDJRNKVJQK-DZGCQCFKSA-N 1 0 384.318 2.952 20 0 GFADRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)COc1cc(Cl)ccc1Cl ZINC000499897242 564939543 /nfs/dbraw/zinc/93/95/43/564939543.db2.gz QCWMLQSKISKMBC-CQSZACIVSA-N 1 0 375.296 2.941 20 0 GFADRO C[C@H](CNC(=O)N1CC[N@H+](C)CC[C@H]1C)Oc1ccc(Br)cc1 ZINC000466380736 564939673 /nfs/dbraw/zinc/93/96/73/564939673.db2.gz OZEMCBXXQUIDAA-ZIAGYGMSSA-N 1 0 384.318 2.952 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)C[N@@H+]1C[C@@H](C)C[C@H]1C ZINC000532574200 564940650 /nfs/dbraw/zinc/94/06/50/564940650.db2.gz PYWLGPBNSACHDT-GXTWGEPZSA-N 1 0 396.329 2.885 20 0 GFADRO C[NH+](C)C[C@H]1CCCCN1C(=O)c1cccc(F)c1I ZINC000532754476 564944203 /nfs/dbraw/zinc/94/42/03/564944203.db2.gz VMSZASWJYWRNGS-LLVKDONJSA-N 1 0 390.240 2.987 20 0 GFADRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NS(=O)(=O)c1cncc(Cl)c1 ZINC000533175807 564956676 /nfs/dbraw/zinc/95/66/76/564956676.db2.gz SVTGSGLJFZOKLA-RDTXWAMCSA-N 1 0 379.913 2.924 20 0 GFADRO CN(CCOc1ccc(Br)cc1)C(=O)C[N@H+](C)CC[C@H]1CCCO1 ZINC000467140403 564956833 /nfs/dbraw/zinc/95/68/33/564956833.db2.gz DQTADMDJLRXGDG-MRXNPFEDSA-N 1 0 399.329 2.787 20 0 GFADRO O=S(=O)(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1cncc(Cl)c1 ZINC000533174166 564957121 /nfs/dbraw/zinc/95/71/21/564957121.db2.gz OAGCIRFNZTZYDQ-INIZCTEOSA-N 1 0 379.913 2.578 20 0 GFADRO Cc1cc(S(=O)(=O)NCC[NH2+]Cc2cnc3ccc(Cl)cn23)c(C)s1 ZINC000533252790 564958655 /nfs/dbraw/zinc/95/86/55/564958655.db2.gz GJXUVDYDXXLADE-UHFFFAOYSA-N 1 0 398.941 2.734 20 0 GFADRO COc1ccc(C(=O)N2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)c(Br)c1 ZINC000533478428 564963354 /nfs/dbraw/zinc/96/33/54/564963354.db2.gz XKMWYGUWTLHRBS-CSMYWGQOSA-N 1 0 397.313 2.781 20 0 GFADRO CC(=O)c1cc(Br)ccc1OCC(=O)NC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000560455180 564963489 /nfs/dbraw/zinc/96/34/89/564963489.db2.gz MAUVCXBLYYIZPK-CQSZACIVSA-N 1 0 397.313 2.877 20 0 GFADRO C[NH+](C)CCN(Cc1ccccn1)C(=O)COc1ccc(Br)cc1 ZINC000500869267 564964541 /nfs/dbraw/zinc/96/45/41/564964541.db2.gz CPRWZKFTHFADHP-UHFFFAOYSA-N 1 0 392.297 2.813 20 0 GFADRO C[NH+](C)C[C@@](C)(O)CNCc1cnc(-c2ccc(Br)cc2)s1 ZINC000533563539 564965736 /nfs/dbraw/zinc/96/57/36/564965736.db2.gz PTKZVMACHOVIGL-INIZCTEOSA-N 1 0 384.343 2.975 20 0 GFADRO C[C@H](C[NH2+]Cc1ccc(Br)c(Br)c1)S(C)(=O)=O ZINC000533587390 564967641 /nfs/dbraw/zinc/96/76/41/564967641.db2.gz LQWUCORLDMJRKW-MRVPVSSYSA-N 1 0 385.121 2.734 20 0 GFADRO CCOc1c(Cl)cc(NC(=O)C(=O)N[C@@H](C)CC[NH+](C)C)cc1Cl ZINC000467613089 564968124 /nfs/dbraw/zinc/96/81/24/564968124.db2.gz KOMUUYMVUCRWCI-JTQLQIEISA-N 1 0 376.284 2.787 20 0 GFADRO Cc1nn(C)cc1[C@@H](C)[NH2+]CCNS(=O)(=O)c1cccc(Cl)c1Cl ZINC000560574337 564968241 /nfs/dbraw/zinc/96/82/41/564968241.db2.gz PGQYIIQXXBYJJF-SNVBAGLBSA-N 1 0 391.324 2.664 20 0 GFADRO C[C@@H]1COCC[C@H]1C[NH2+][C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000560582853 564969083 /nfs/dbraw/zinc/96/90/83/564969083.db2.gz KCONQTBTWRTREP-XUJVJEKNSA-N 1 0 388.327 2.930 20 0 GFADRO O=C(NC[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1)c1cscc1Br ZINC000560615000 564969806 /nfs/dbraw/zinc/96/98/06/564969806.db2.gz KLWPRLPAGYTQDB-UONOGXRCSA-N 1 0 395.322 2.876 20 0 GFADRO C[C@@H](NC1CC[NH+](CCC(=O)N(C)C)CC1)c1nc(C(F)(F)F)cs1 ZINC000467743429 564971254 /nfs/dbraw/zinc/97/12/54/564971254.db2.gz PJGCDLIICSMBGQ-LLVKDONJSA-N 1 0 378.464 2.755 20 0 GFADRO O=C(Nc1cccc(C[N@H+]2CC[C@H](O)C2)c1)c1cncc(Br)c1 ZINC000560676959 564971761 /nfs/dbraw/zinc/97/17/61/564971761.db2.gz STBCIOZTSSYNSU-INIZCTEOSA-N 1 0 376.254 2.663 20 0 GFADRO C[C@H](CNC(=O)[C@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1)C[NH+](C)C ZINC000560707284 564973380 /nfs/dbraw/zinc/97/33/80/564973380.db2.gz QBAIEHWBOURTLZ-MLGOLLRUSA-N 1 0 386.323 2.912 20 0 GFADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(Br)cc2cccnc21 ZINC000533895208 564975870 /nfs/dbraw/zinc/97/58/70/564975870.db2.gz FGGZLCHAYJBPKX-OAHLLOKOSA-N 1 0 392.297 2.838 20 0 GFADRO C[N@H+](CC(=O)N[C@H](c1cncc(Br)c1)C1CC1)[C@H]1CCSC1 ZINC000501305430 564976779 /nfs/dbraw/zinc/97/67/79/564976779.db2.gz HEQQBBSQYWNOJI-HOCLYGCPSA-N 1 0 384.343 2.849 20 0 GFADRO O=C(NC[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1)NCC(F)(F)CO ZINC000468060421 564977710 /nfs/dbraw/zinc/97/77/10/564977710.db2.gz PTJFKZUFRLCHEA-OAHLLOKOSA-N 1 0 375.847 2.621 20 0 GFADRO CN(CC[NH+]1CCCC1)C(=O)C(=O)N[C@H]1CCSc2ccc(Cl)cc21 ZINC000560847426 564978483 /nfs/dbraw/zinc/97/84/83/564978483.db2.gz GNOQZMVBZIMUBH-HNNXBMFYSA-N 1 0 381.929 2.547 20 0 GFADRO COCC[N@@H+]1CC[C@@H](NC(=O)CSCc2ccc(Br)cc2)C1 ZINC000561060737 564982426 /nfs/dbraw/zinc/98/24/26/564982426.db2.gz RBUCFLZLPFOOHA-OAHLLOKOSA-N 1 0 387.343 2.519 20 0 GFADRO CN(Cc1ccc(Cl)s1)C(=O)C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000501624773 564983345 /nfs/dbraw/zinc/98/33/45/564983345.db2.gz OTMRDMDTLARWDS-AWEZNQCLSA-N 1 0 383.945 2.741 20 0 GFADRO C[C@@H](NC(=O)NCC[C@H]1CCC[NH2+]1)c1cc2c(cc1Br)OCCO2 ZINC000561137473 564984944 /nfs/dbraw/zinc/98/49/44/564984944.db2.gz IZVRXPFDHTVPBK-VXGBXAGGSA-N 1 0 398.301 2.723 20 0 GFADRO O=C(Nc1nc2c(s1)CSCC2)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000561137629 564985367 /nfs/dbraw/zinc/98/53/67/564985367.db2.gz MPOZNQCAEGSSIZ-SFHVURJKSA-N 1 0 375.519 2.508 20 0 GFADRO C[C@@H](O)C[N@@H+]1CCN(Cc2cc(Br)ccc2OC(F)F)[C@H](C)C1 ZINC000501947428 564988573 /nfs/dbraw/zinc/98/85/73/564988573.db2.gz LDXVWCGJSVGQAL-VXGBXAGGSA-N 1 0 393.272 2.937 20 0 GFADRO OC[C@@]1([C@H]([NH2+]Cc2cnc3ccc(Br)cn23)C2CC2)CCCO1 ZINC000561320217 564990561 /nfs/dbraw/zinc/99/05/61/564990561.db2.gz DKSXTFRCQYCNOD-IAGOWNOFSA-N 1 0 380.286 2.507 20 0 GFADRO O=C(NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)N[C@H](CO)CC(F)(F)F ZINC000534552620 564991672 /nfs/dbraw/zinc/99/16/72/564991672.db2.gz BHSFQYCOKBMYIG-STQMWFEESA-N 1 0 379.448 2.573 20 0 GFADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@@H](C)c2cccc(Cl)c2Cl)C1 ZINC000502289267 564995558 /nfs/dbraw/zinc/99/55/58/564995558.db2.gz KUAZZTOQNAXEJF-STQMWFEESA-N 1 0 386.323 2.971 20 0 GFADRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1S(=O)(=O)Cc1ccccc1Br ZINC000561543676 565000538 /nfs/dbraw/zinc/00/05/38/565000538.db2.gz NSAOLDCLVLSGIR-DZGCQCFKSA-N 1 0 387.343 2.838 20 0 GFADRO COc1ccc(Br)c(C[NH2+]CCC2CCS(=O)(=O)CC2)c1 ZINC000535072088 565003980 /nfs/dbraw/zinc/00/39/80/565003980.db2.gz XICRHOCQDFQDEN-UHFFFAOYSA-N 1 0 376.316 2.762 20 0 GFADRO C[C@H]1C[C@@H]1[N@@H+]1CCN(C(=O)Cc2ccc(Br)cc2O)C[C@@H](C)C1 ZINC000561762375 565008140 /nfs/dbraw/zinc/00/81/40/565008140.db2.gz SRTHEBJFXSAQKX-XEZPLFJOSA-N 1 0 381.314 2.886 20 0 GFADRO C[C@@H](C[NH2+]Cc1cc(Br)cc(Br)c1)S(C)(=O)=O ZINC000561744989 565008203 /nfs/dbraw/zinc/00/82/03/565008203.db2.gz FHFNAQWMHLGFRO-QMMMGPOBSA-N 1 0 385.121 2.734 20 0 GFADRO CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)C[N@H+](C)[C@H]1CCSC1 ZINC000535317973 565010807 /nfs/dbraw/zinc/01/08/07/565010807.db2.gz IJILOMANOHZXTH-LBPRGKRZSA-N 1 0 390.336 2.828 20 0 GFADRO COc1cc(Cl)c(S(=O)(=O)N2C[C@H](SC)[C@@H]([NH+](C)C)C2)cc1Cl ZINC000503223603 565014505 /nfs/dbraw/zinc/01/45/05/565014505.db2.gz OAHLJUHYNYLZPW-AAEUAGOBSA-N 1 0 399.365 2.668 20 0 GFADRO C[NH+](C)CCCNC(=O)c1cnc2c(Cl)cc(Br)cc2c1O ZINC000503232344 565015139 /nfs/dbraw/zinc/01/51/39/565015139.db2.gz AVOYZAVEXBQTHZ-UHFFFAOYSA-N 1 0 386.677 2.626 20 0 GFADRO C[C@@H](CNC(=O)c1cc[nH]c(=O)c1Br)[N@H+](C)Cc1ccccc1 ZINC000469380261 565015576 /nfs/dbraw/zinc/01/55/76/565015576.db2.gz AISMRGSLXXEKGE-LBPRGKRZSA-N 1 0 378.270 2.800 20 0 GFADRO COC(=O)[C@@H](c1ccc(Cl)c(Cl)c1)N(C)C[C@H](O)C[N@H+](C)C1CC1 ZINC000562035914 565016470 /nfs/dbraw/zinc/01/64/70/565016470.db2.gz BYGGFPMASDKSST-CZUORRHYSA-N 1 0 375.296 2.594 20 0 GFADRO CN(C)c1cc(Cl)cc(Cl)c1C[NH2+]C[C@H]1CCC[C@H]1NS(C)(=O)=O ZINC000562071766 565017249 /nfs/dbraw/zinc/01/72/49/565017249.db2.gz QLKSGJMHYKAMNR-IAQYHMDHSA-N 1 0 394.368 2.867 20 0 GFADRO CSC[C@H](CCO)NC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000562171676 565019355 /nfs/dbraw/zinc/01/93/55/565019355.db2.gz QAFYMDFNGQEYJJ-YOEHRIQHSA-N 1 0 385.961 2.890 20 0 GFADRO CCN(CC[NH+]1CCCCCC1)C(=O)Nc1cc(Br)cn(C)c1=O ZINC000562230377 565021082 /nfs/dbraw/zinc/02/10/82/565021082.db2.gz BVSXCMQUMSEUCO-UHFFFAOYSA-N 1 0 399.333 2.878 20 0 GFADRO C[C@@H]1[C@H](C)N(C(=O)C2(c3ccc(I)cc3)CC2)CC[N@H+]1C ZINC000503516741 565021968 /nfs/dbraw/zinc/02/19/68/565021968.db2.gz BQYAGUGJQHZYHW-OLZOCXBDSA-N 1 0 398.288 2.874 20 0 GFADRO C[N@@H+]1CCC[C@H]1CNC(=O)C1(c2ccc(I)cc2)CC1 ZINC000503588585 565024139 /nfs/dbraw/zinc/02/41/39/565024139.db2.gz KESZTHAHGCXJEJ-AWEZNQCLSA-N 1 0 384.261 2.533 20 0 GFADRO C[C@@H]1CC[N@H+](C)CCN1C(=O)C1(c2ccc(I)cc2)CC1 ZINC000503611081 565024957 /nfs/dbraw/zinc/02/49/57/565024957.db2.gz CEZYOBUIENJIND-CYBMUJFWSA-N 1 0 398.288 2.875 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)C(=O)Nc1ccc(Cl)cn1)c1ccc(Cl)cc1 ZINC000562486108 565030652 /nfs/dbraw/zinc/03/06/52/565030652.db2.gz PDCIBEPOZGCIAW-CQSZACIVSA-N 1 0 381.263 2.746 20 0 GFADRO CS(=O)(=O)NC[C@@H]1CCC[C@H]1[NH2+]Cc1c(F)cccc1OC(F)(F)F ZINC000562509830 565031064 /nfs/dbraw/zinc/03/10/64/565031064.db2.gz NMKNKIQBPSZUES-GXFFZTMASA-N 1 0 384.395 2.532 20 0 GFADRO C[C@H]1C[N@H+](C)CCN1Cc1cc(Br)cc(Br)c1N ZINC000469912829 565031664 /nfs/dbraw/zinc/03/16/64/565031664.db2.gz BAVYUSZLCJGGJF-VIFPVBQESA-N 1 0 377.124 2.930 20 0 GFADRO COCC[NH+]1CCN(Cc2ccc(I)cc2Cl)CC1 ZINC000503944524 565032117 /nfs/dbraw/zinc/03/21/17/565032117.db2.gz DCTOABRYEUPKKZ-UHFFFAOYSA-N 1 0 394.684 2.709 20 0 GFADRO CS(=O)(=O)c1cc(NC(=O)NCC2CC[NH+](C3CC3)CC2)ccc1Cl ZINC000562569876 565033848 /nfs/dbraw/zinc/03/38/48/565033848.db2.gz QYVKKHFUJSYMAE-UHFFFAOYSA-N 1 0 385.917 2.739 20 0 GFADRO CC[NH+]1CCC(CNC(=O)[C@H]2CC(=O)Nc3ccc(Br)cc32)CC1 ZINC000562580793 565034616 /nfs/dbraw/zinc/03/46/16/565034616.db2.gz KVCGQOIEOCQDOS-HNNXBMFYSA-N 1 0 394.313 2.723 20 0 GFADRO C[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CC(=O)Nc3ccc(Br)cc32)CC1 ZINC000469994305 565034612 /nfs/dbraw/zinc/03/46/12/565034612.db2.gz SRGNDJYYLSLDHB-HIFRSBDPSA-N 1 0 394.313 2.818 20 0 GFADRO C[C@H](CNC(=O)N[C@H](CO)c1ccc(Br)cc1)C[NH+]1CCCCC1 ZINC000504089731 565034729 /nfs/dbraw/zinc/03/47/29/565034729.db2.gz XEORGNXXRZRVCG-RHSMWYFYSA-N 1 0 398.345 2.904 20 0 GFADRO C[C@@H](C[NH+]1CCCCC1)NC(=O)N[C@H](CO)c1ccc(Br)cc1 ZINC000504081425 565034843 /nfs/dbraw/zinc/03/48/43/565034843.db2.gz ZGXQJTGCFKQUES-XJKSGUPXSA-N 1 0 384.318 2.656 20 0 GFADRO CS[C@@H]1CN(C(=O)c2cnc(Cc3ccc(F)cc3)s2)C[C@@H]1[NH+](C)C ZINC000536336773 565035003 /nfs/dbraw/zinc/03/50/03/565035003.db2.gz NZJHQYTZFHXLAZ-GOEBONIOSA-N 1 0 379.526 2.991 20 0 GFADRO C[C@@H](O)C[N@@H+]1CCN(C(=O)N[C@@H]2C[C@H]2c2ccc(Cl)cc2Cl)[C@@H](C)C1 ZINC000504107783 565035761 /nfs/dbraw/zinc/03/57/61/565035761.db2.gz JTCCSBGVTUXGJP-IUPKNAOTSA-N 1 0 386.323 2.946 20 0 GFADRO C[C@@H](Oc1ccc(Br)cc1)C(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000470105033 565037987 /nfs/dbraw/zinc/03/79/87/565037987.db2.gz ULWCJQUVEJWKFF-LSDHHAIUSA-N 1 0 399.329 2.834 20 0 GFADRO C[NH+](C)C1(CNC(=O)c2ccn(-c3ccc(Br)cc3)n2)CCC1 ZINC000504514994 565041183 /nfs/dbraw/zinc/04/11/83/565041183.db2.gz WGGDPDLYOLQMNG-UHFFFAOYSA-N 1 0 377.286 2.849 20 0 GFADRO O=C1NC(=O)C2(CCC([NH2+]CCOCc3ccc(Cl)cc3Cl)CC2)N1 ZINC000562741787 565041248 /nfs/dbraw/zinc/04/12/48/565041248.db2.gz HHYWIQMQZLAQGR-UHFFFAOYSA-N 1 0 386.279 2.620 20 0 GFADRO CN1CCN(C(=O)N[C@@H](c2ccc(Br)cc2)C2CCC2)[C@H](C[NH3+])C1 ZINC000562790982 565042943 /nfs/dbraw/zinc/04/29/43/565042943.db2.gz CCRGCMBNXJHVIL-IAGOWNOFSA-N 1 0 395.345 2.575 20 0 GFADRO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@H]1C[C@H]2CCCCN2C1=O ZINC000562784414 565043228 /nfs/dbraw/zinc/04/32/28/565043228.db2.gz OKBHCIUFAIQFKP-WQVCFCJDSA-N 1 0 394.313 2.909 20 0 GFADRO [NH3+]C[C@H]1CCCN(C(=O)NCCOc2ncc(C(F)(F)F)cc2Cl)C1 ZINC000562803768 565043861 /nfs/dbraw/zinc/04/38/61/565043861.db2.gz IUOBLOHIVHECOU-SNVBAGLBSA-N 1 0 380.798 2.513 20 0 GFADRO COc1ccc(C(=O)N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)cc1Br ZINC000470488292 565047814 /nfs/dbraw/zinc/04/78/14/565047814.db2.gz YAKZCCGOTLMFOI-ZDUSSCGKSA-N 1 0 397.313 2.783 20 0 GFADRO O=C(CNC(=O)c1cccc(Cl)c1)Nc1nc(C2CC[NH2+]CC2)cs1 ZINC000562963814 565049146 /nfs/dbraw/zinc/04/91/46/565049146.db2.gz KCDXXEZOAJGSCN-UHFFFAOYSA-N 1 0 378.885 2.632 20 0 GFADRO O=C(CSCc1ccc(Br)cc1F)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000562971146 565050142 /nfs/dbraw/zinc/05/01/42/565050142.db2.gz AUOHRGAZSLDAEN-DGCLKSJQSA-N 1 0 387.318 2.889 20 0 GFADRO [NH3+][C@@H]1CCC[C@H](CNC(=O)c2cc(F)ccc2I)C1 ZINC000562979999 565050447 /nfs/dbraw/zinc/05/04/47/565050447.db2.gz ZZTICQKIKSKWRP-GXSJLCMTSA-N 1 0 376.213 2.678 20 0 GFADRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NCc1nc2c(cccc2Br)[nH]1 ZINC000563036976 565052703 /nfs/dbraw/zinc/05/27/03/565052703.db2.gz ZCPVMJRSWPOQBB-HZMBPMFUSA-N 1 0 392.301 2.607 20 0 GFADRO CC[NH+](CC)[C@@H](CNS(=O)(=O)c1nc(C)c(C)s1)Cc1ccccc1 ZINC000470768554 565055336 /nfs/dbraw/zinc/05/53/36/565055336.db2.gz BARGXUZRFHBPPE-QGZVFWFLSA-N 1 0 381.567 2.991 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)Nc2ccc(S(C)(=O)=O)c(C(F)F)c2)CC[N@@H+]1C ZINC000537228962 565055838 /nfs/dbraw/zinc/05/58/38/565055838.db2.gz FZFDIANHYNNUNR-ZYHUDNBSSA-N 1 0 375.441 2.632 20 0 GFADRO CCn1cc(C(=O)N[C@@H](CC[NH3+])C(F)(F)F)c(=O)c2cc(Cl)ccc21 ZINC000563116539 565055954 /nfs/dbraw/zinc/05/59/54/565055954.db2.gz KKBIDAXNZJITNK-ZDUSSCGKSA-N 1 0 375.778 2.684 20 0 GFADRO COC[C@@]1(CNC(=O)Cc2csc(-c3ccc(Cl)s3)n2)CCC[NH2+]1 ZINC000563107247 565055993 /nfs/dbraw/zinc/05/59/93/565055993.db2.gz FPVPVQQTRHTYQU-INIZCTEOSA-N 1 0 385.942 2.952 20 0 GFADRO Cc1cc(Cl)ccc1S(=O)(=O)NCC[NH2+]Cc1ccc2c(n1)CCC2 ZINC000563117924 565056304 /nfs/dbraw/zinc/05/63/04/565056304.db2.gz VBKJJBYYWILHQN-UHFFFAOYSA-N 1 0 379.913 2.600 20 0 GFADRO COC(=O)[C@H](c1cccc(Br)c1)N1C[C@@H](SC)[C@@H]([NH+](C)C)C1 ZINC000537272388 565056405 /nfs/dbraw/zinc/05/64/05/565056405.db2.gz FHTJSNDXVHTEPO-ZNMIVQPWSA-N 1 0 387.343 2.641 20 0 GFADRO C[C@H]([NH3+])[C@H](C)NC(=O)c1cccn1-c1cccc(I)c1 ZINC000563119058 565056559 /nfs/dbraw/zinc/05/65/59/565056559.db2.gz MRXSWBRHSCOIEZ-QWRGUYRKSA-N 1 0 383.233 2.547 20 0 GFADRO O=C(NCCc1ccc(I)s1)[C@H]1CCCCC[NH2+]1 ZINC000563158041 565057349 /nfs/dbraw/zinc/05/73/49/565057349.db2.gz WMDQPLVXLISZQO-LLVKDONJSA-N 1 0 378.279 2.544 20 0 GFADRO O=C(NCCc1ccc(I)s1)[C@@H]1CCCCC[NH2+]1 ZINC000563158042 565057408 /nfs/dbraw/zinc/05/74/08/565057408.db2.gz WMDQPLVXLISZQO-NSHDSACASA-N 1 0 378.279 2.544 20 0 GFADRO C[NH+](C)[C@]1(CNC(=O)N[C@H]2CCN(c3ccc(Cl)cc3)C2)CCSC1 ZINC000537371595 565057875 /nfs/dbraw/zinc/05/78/75/565057875.db2.gz KCFKDZWWBBOTIM-YJBOKZPZSA-N 1 0 382.961 2.655 20 0 GFADRO CC(C)C[C@H](N[C@@H](C)c1ncc(Br)s1)C(=O)NCC[NH+](C)C ZINC000537443793 565058517 /nfs/dbraw/zinc/05/85/17/565058517.db2.gz DDGOUMKCIOYUHF-RYUDHWBXSA-N 1 0 391.379 2.649 20 0 GFADRO CC[NH+](CC)CC[C@H](CO)NC(=O)c1sc(C)c(Br)c1OC ZINC000537717807 565062179 /nfs/dbraw/zinc/06/21/79/565062179.db2.gz DBCINYSWLRWAKE-LLVKDONJSA-N 1 0 393.347 2.650 20 0 GFADRO C[C@@H]1C[N@H+](C[C@H](O)COc2ccc(Cl)c(Cl)c2)C[C@@]2(CCOC2)O1 ZINC000684626622 565076812 /nfs/dbraw/zinc/07/68/12/565076812.db2.gz LDYDDTOGHVTYSX-IIYDPXPESA-N 1 0 376.280 2.613 20 0 GFADRO C[N@@H+]1CCCC[C@H]1C(=O)NCc1c(Br)cncc1Br ZINC000635976849 565084385 /nfs/dbraw/zinc/08/43/85/565084385.db2.gz OODACTAHDDFYGW-LBPRGKRZSA-N 1 0 391.107 2.707 20 0 GFADRO C[N@@H+]1CCC[C@H]1[C@@H]1COCCN1C(=O)c1cc(F)c(Cl)c(N)c1Cl ZINC000635960923 565084931 /nfs/dbraw/zinc/08/49/31/565084931.db2.gz ZBUWNLNDZUOSGU-RYUDHWBXSA-N 1 0 376.259 2.650 20 0 GFADRO CC[C@H]1C[N@H+](C)CCCN1C(=O)Cc1cc2c(cc1Br)OCCO2 ZINC000684862650 565086445 /nfs/dbraw/zinc/08/64/45/565086445.db2.gz GDAKWTFHQGMYRI-AWEZNQCLSA-N 1 0 397.313 2.706 20 0 GFADRO COc1cc(C(=O)N[C@H]2C[C@@H]([NH+]3CCCC3)C2)cc(OC)c1Br ZINC000636093581 565089840 /nfs/dbraw/zinc/08/98/40/565089840.db2.gz ZOBDZLJYTUQTPY-BETUJISGSA-N 1 0 383.286 2.823 20 0 GFADRO C[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCN(c3cc(Cl)ccc3Cl)C1=O)C2 ZINC000614039190 565091249 /nfs/dbraw/zinc/09/12/49/565091249.db2.gz QITVWXYAPSFXFE-ZDUSSCGKSA-N 1 0 382.291 2.510 20 0 GFADRO CSc1cc(Br)ccc1C(=O)N1CCC[C@](O)(C[NH+](C)C)C1 ZINC000614070959 565094340 /nfs/dbraw/zinc/09/43/40/565094340.db2.gz MTVJTZCXLHSFHI-INIZCTEOSA-N 1 0 387.343 2.700 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(-n2cc(Br)cn2)cc1 ZINC000614128586 565096672 /nfs/dbraw/zinc/09/66/72/565096672.db2.gz JDGSNMFXHMZQJF-NVXWUHKLSA-N 1 0 389.297 2.991 20 0 GFADRO COc1ccc(CNC(=O)C[NH2+]Cc2cncc(Br)c2C)cc1 ZINC000657330846 565098318 /nfs/dbraw/zinc/09/83/18/565098318.db2.gz CRMSNLKXHUTVGQ-UHFFFAOYSA-N 1 0 378.270 2.567 20 0 GFADRO Brc1ccccc1-n1cc(C[N@@H+]2CC[C@@H]([C@@H]3CCOC3)C2)nn1 ZINC000584821366 565100734 /nfs/dbraw/zinc/10/07/34/565100734.db2.gz CWJFUUGDBLKRIZ-ZIAGYGMSSA-N 1 0 377.286 2.888 20 0 GFADRO Cc1cc(N2CCC[C@H]([NH2+]Cc3cncc(Br)c3C)C2)n(C)n1 ZINC000657450653 565101603 /nfs/dbraw/zinc/10/16/03/565101603.db2.gz XURWFJQOPCFTBZ-HNNXBMFYSA-N 1 0 378.318 2.953 20 0 GFADRO CS(=O)(=O)N[C@H]1CCCC[C@@H]1C[NH2+]Cc1cc(F)ccc1OC(F)F ZINC000657464909 565103376 /nfs/dbraw/zinc/10/33/76/565103376.db2.gz SZTLSKUDDAFHBJ-RISCZKNCSA-N 1 0 380.432 2.625 20 0 GFADRO Cc1c(Br)cccc1C[C@H](CO)C[NH2+]Cc1cnn2c1CCC2 ZINC000657484614 565103405 /nfs/dbraw/zinc/10/34/05/565103405.db2.gz GEYHKTVQUWSTEE-AWEZNQCLSA-N 1 0 378.314 2.841 20 0 GFADRO Cc1ccc(Br)c(S(=O)(=O)NCC[NH2+]Cc2ccc(O)cc2)c1 ZINC000685448072 565106209 /nfs/dbraw/zinc/10/62/09/565106209.db2.gz CNDXRHNLPRETAB-UHFFFAOYSA-N 1 0 399.310 2.531 20 0 GFADRO Brc1cc(CN2CC[NH+](C[C@H]3CCCO3)CC2)cc2c1OCCO2 ZINC000614326560 565108251 /nfs/dbraw/zinc/10/82/51/565108251.db2.gz XRHWPKSCTDOMMM-OAHLLOKOSA-N 1 0 397.313 2.517 20 0 GFADRO CO[C@@H]1CCC[C@H]([C@@H](CO)[NH2+]Cc2cn3ccc(Br)cc3n2)C1 ZINC000657577893 565110016 /nfs/dbraw/zinc/11/00/16/565110016.db2.gz RWWPWFCZZGTCEC-APHBMKBZSA-N 1 0 382.302 2.753 20 0 GFADRO OCCO[C@@]1(C[NH2+]Cc2cc(C(F)(F)F)ccc2Br)CCOC1 ZINC000657597966 565111555 /nfs/dbraw/zinc/11/15/55/565111555.db2.gz DYNOAHSJSVUIHK-CQSZACIVSA-N 1 0 398.219 2.726 20 0 GFADRO O=C(Cc1cc(Br)ccc1F)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000614438425 565111742 /nfs/dbraw/zinc/11/17/42/565111742.db2.gz RDJNTNXDLFAGRK-INIZCTEOSA-N 1 0 399.304 2.844 20 0 GFADRO O=C(Cc1cscc1Br)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000614444844 565113912 /nfs/dbraw/zinc/11/39/12/565113912.db2.gz CAGUZXNBTSAFRK-CQSZACIVSA-N 1 0 387.343 2.766 20 0 GFADRO CC[NH+](CC)CCS(=O)(=O)N[C@@H](C)Cc1cc(Br)ccc1F ZINC000685594989 565114248 /nfs/dbraw/zinc/11/42/48/565114248.db2.gz OPTHTXWYOAEAQF-LBPRGKRZSA-N 1 0 395.338 2.780 20 0 GFADRO CC[NH+](CC)CCS(=O)(=O)N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1 ZINC000685597592 565114695 /nfs/dbraw/zinc/11/46/95/565114695.db2.gz COXWLFKYMCLOTC-CQSZACIVSA-N 1 0 394.368 2.833 20 0 GFADRO C[C@H]1CC[C@H]([NH2+]Cc2cnn(-c3ccc(Br)cc3)c2)CS1(=O)=O ZINC000657639403 565115541 /nfs/dbraw/zinc/11/55/41/565115541.db2.gz SCEQUDGHFKAJED-WFASDCNBSA-N 1 0 398.326 2.690 20 0 GFADRO C[C@@H]1CC[C@@H]([NH2+]CC2=Cc3cc(Br)ccc3OC2)CS1(=O)=O ZINC000657637117 565115849 /nfs/dbraw/zinc/11/58/49/565115849.db2.gz JFMGCDFKXRINKR-IAQYHMDHSA-N 1 0 386.311 2.780 20 0 GFADRO COC(=O)C[C@](C)([NH2+]CCn1ccccc1=O)c1ccc(Br)cc1 ZINC000586782455 565117193 /nfs/dbraw/zinc/11/71/93/565117193.db2.gz YACJZFYOMOGYSQ-SFHVURJKSA-N 1 0 393.281 2.679 20 0 GFADRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)Cc1cccc(I)c1 ZINC000586827673 565118123 /nfs/dbraw/zinc/11/81/23/565118123.db2.gz VCTIAWMUXRVBJQ-BBRMVZONSA-N 1 0 398.288 2.919 20 0 GFADRO COCC[N@@H+]1CCCN(C(=O)C(C)(C)c2cccc(Br)c2)CC1 ZINC000588091717 565125407 /nfs/dbraw/zinc/12/54/07/565125407.db2.gz QICISMBNOIWRAQ-UHFFFAOYSA-N 1 0 383.330 2.907 20 0 GFADRO C[C@@H](O)C[NH+]1CCN(Cc2cc(C(F)(F)F)ccc2Br)CC1 ZINC000685835953 565125972 /nfs/dbraw/zinc/12/59/72/565125972.db2.gz DJWTXTQGFLKVND-LLVKDONJSA-N 1 0 381.236 2.966 20 0 GFADRO CS[C@H]1CN(S(=O)(=O)c2c(Cl)ccc(F)c2F)C[C@@H]1[NH+]1CCCC1 ZINC000588130589 565127488 /nfs/dbraw/zinc/12/74/88/565127488.db2.gz ZJSNRAZKEMZSAO-STQMWFEESA-N 1 0 396.912 2.819 20 0 GFADRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1ccccc1I ZINC000588185490 565129998 /nfs/dbraw/zinc/12/99/98/565129998.db2.gz JMQVGWHOGFEYMZ-WFASDCNBSA-N 1 0 384.261 2.990 20 0 GFADRO COCC[NH+]1CCC(NC(=O)N[C@H]2C[C@H]2c2cccc(Br)c2)CC1 ZINC000588287974 565132786 /nfs/dbraw/zinc/13/27/86/565132786.db2.gz ATBHVRWDTIMJEY-IRXDYDNUSA-N 1 0 396.329 2.715 20 0 GFADRO C[C@H](NC(=O)NCc1c(Br)cnn1C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000637033817 565134414 /nfs/dbraw/zinc/13/44/14/565134414.db2.gz MHUGJOVKQMLAKL-STQMWFEESA-N 1 0 398.349 2.635 20 0 GFADRO C[C@H]([NH2+]CCC(=O)N1CCN(C)CC1)c1ccc(Br)c(Cl)c1 ZINC000657871245 565135232 /nfs/dbraw/zinc/13/52/32/565135232.db2.gz SXIAUSHXOXCUBM-LBPRGKRZSA-N 1 0 388.737 2.917 20 0 GFADRO Cn1ccc(CCNC(=O)N[C@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)n1 ZINC000637047148 565136190 /nfs/dbraw/zinc/13/61/90/565136190.db2.gz QPYWHWZUEXVYJP-MRXNPFEDSA-N 1 0 384.311 2.872 20 0 GFADRO CCCC[N@H+](C)C[C@H](C)NC(=O)c1cc(Br)cc2[nH]c(=O)[nH]c21 ZINC000614961823 565140214 /nfs/dbraw/zinc/14/02/14/565140214.db2.gz ZXGBFVPSAQYJME-JTQLQIEISA-N 1 0 383.290 2.881 20 0 GFADRO C[C@H](NC(=O)NCc1c(Br)cnn1C)[C@@H](c1ccccc1)[NH+](C)C ZINC000637137713 565141341 /nfs/dbraw/zinc/14/13/41/565141341.db2.gz SKTSSFOGTKBZPW-LRDDRELGSA-N 1 0 394.317 2.673 20 0 GFADRO CN(C(=O)NCC1CC[NH2+]CC1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000637173500 565142529 /nfs/dbraw/zinc/14/25/29/565142529.db2.gz CIFYHWXUIDKYSQ-OAHLLOKOSA-N 1 0 382.302 2.914 20 0 GFADRO O=C1[C@@H]([NH2+][C@@H]2CCCn3nccc32)CCN1c1cccc(Br)c1 ZINC000657993338 565143788 /nfs/dbraw/zinc/14/37/88/565143788.db2.gz BNWGMNCIHOQMEJ-CABCVRRESA-N 1 0 375.270 2.876 20 0 GFADRO O=C(NC[C@H]1CCC[NH2+]C1)N1CCO[C@@H](c2cccc(Br)c2)C1 ZINC000637227167 565145607 /nfs/dbraw/zinc/14/56/07/565145607.db2.gz PDBXHMHEIWCKJK-XJKSGUPXSA-N 1 0 382.302 2.532 20 0 GFADRO C[C@@H](Cn1cncn1)[NH2+][C@@H](C)c1ccc(Br)cc1OCCCO ZINC000658018278 565145993 /nfs/dbraw/zinc/14/59/93/565145993.db2.gz PYQOTNFFSZCFKD-STQMWFEESA-N 1 0 383.290 2.541 20 0 GFADRO C[C@@H](NC(=O)NCC(C)(C)N1CC[NH+](C)CC1)c1ccc(Br)cc1 ZINC000589029398 565148199 /nfs/dbraw/zinc/14/81/99/565148199.db2.gz ODWBCUBWHYQVIF-CQSZACIVSA-N 1 0 397.361 2.835 20 0 GFADRO CO[C@H](C[NH2+][C@H](C)CC(=O)Nc1ccc(Br)cc1)[C@@H]1CCOC1 ZINC000658074255 565148875 /nfs/dbraw/zinc/14/88/75/565148875.db2.gz SBDZGMSAIXGLDX-XJKCOSOUSA-N 1 0 385.302 2.807 20 0 GFADRO Cc1ccc(NC(=O)C(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)cc1Br ZINC000658122372 565151374 /nfs/dbraw/zinc/15/13/74/565151374.db2.gz FJQRNLGGJYZNAI-ZDUSSCGKSA-N 1 0 382.302 2.685 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)C(=O)Nc1ccc(F)cc1Br ZINC000658123137 565151591 /nfs/dbraw/zinc/15/15/91/565151591.db2.gz IDMXGLJWCZTFAP-LLVKDONJSA-N 1 0 386.265 2.516 20 0 GFADRO Cc1ccc(Br)c(NC(=O)C(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)c1 ZINC000658123849 565152224 /nfs/dbraw/zinc/15/22/24/565152224.db2.gz BDIXMHDMSNJOHZ-GFCCVEGCSA-N 1 0 382.302 2.685 20 0 GFADRO OCCO[C@]1(C[NH2+][C@H]2CCSc3ccc(Br)cc32)CCOC1 ZINC000658149561 565153581 /nfs/dbraw/zinc/15/35/81/565153581.db2.gz UASZNTAUFQYGLB-HOCLYGCPSA-N 1 0 388.327 2.744 20 0 GFADRO Cc1ccc(CC(=O)N2CCOC[C@@H]2[C@H]2CCC[N@H+]2C)c(Br)c1 ZINC000615277348 565155186 /nfs/dbraw/zinc/15/51/86/565155186.db2.gz VKRFTRGTDROBBT-IAGOWNOFSA-N 1 0 381.314 2.622 20 0 GFADRO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)C1(c2cccc(Br)c2)CC(=O)C1 ZINC000615306190 565156304 /nfs/dbraw/zinc/15/63/04/565156304.db2.gz ZUULVZRYIDROTG-MLGOLLRUSA-N 1 0 379.298 2.601 20 0 GFADRO C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1cc(=O)[nH]c2ccc(Br)cc21 ZINC000615309366 565157227 /nfs/dbraw/zinc/15/72/27/565157227.db2.gz SVENBGHIIBGDLN-BONVTDFDSA-N 1 0 378.270 2.868 20 0 GFADRO CN(C[C@@H]1COCCO1)C(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000637472673 565158472 /nfs/dbraw/zinc/15/84/72/565158472.db2.gz GXPCZAIHCBNORO-CZUORRHYSA-N 1 0 390.311 2.653 20 0 GFADRO CC(=O)N[C@@H]1CCN(C(=O)N[C@@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)C1 ZINC000637471631 565158550 /nfs/dbraw/zinc/15/85/50/565158550.db2.gz AQPCDVQSCIUDAN-CJNGLKHVSA-N 1 0 387.311 2.516 20 0 GFADRO C[NH+]1CCC2(CC1)CN(C(=O)NCc1csc(C(F)(F)F)c1)CCO2 ZINC000637525369 565160020 /nfs/dbraw/zinc/16/00/20/565160020.db2.gz BMQVDVXDPHPIHP-UHFFFAOYSA-N 1 0 377.432 2.773 20 0 GFADRO O=S(=O)(NCC[NH2+]C1CC1)c1cc(Cl)c(Cl)cc1Br ZINC000658365270 565161365 /nfs/dbraw/zinc/16/13/65/565161365.db2.gz MOLCLFZHWVOHPF-UHFFFAOYSA-N 1 0 388.114 2.786 20 0 GFADRO CCN(C(=O)C(=O)Nc1cc(Cl)ccc1Br)[C@@H]1CC[N@H+](C)C1 ZINC000658361184 565161880 /nfs/dbraw/zinc/16/18/80/565161880.db2.gz KZTIDRVMOMPFSA-LLVKDONJSA-N 1 0 388.693 2.594 20 0 GFADRO CCCOc1ccc(Br)cc1S(=O)(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000658378185 565164623 /nfs/dbraw/zinc/16/46/23/565164623.db2.gz NSXOGZWDAIJEBU-DGCLKSJQSA-N 1 0 391.331 2.514 20 0 GFADRO [NH3+]CCC1CCN(S(=O)(=O)c2cc(Cl)ccc2OC(F)(F)F)CC1 ZINC000658383202 565165894 /nfs/dbraw/zinc/16/58/94/565165894.db2.gz COJTWDYVFMHVJX-UHFFFAOYSA-N 1 0 386.823 2.988 20 0 GFADRO C[C@@H]1CCCN(S(=O)(=O)c2ccc(OC(F)F)c(F)c2)[C@@H]1CCC[NH3+] ZINC000658400421 565168205 /nfs/dbraw/zinc/16/82/05/565168205.db2.gz XTAQLMVHEXPRKO-BXUZGUMPSA-N 1 0 380.432 2.955 20 0 GFADRO CS(=O)(=O)Nc1cccc(C[NH2+]CC2(N3CCSCC3)CCCC2)c1 ZINC000589641486 565168509 /nfs/dbraw/zinc/16/85/09/565168509.db2.gz PQMHSAJRGDSCEE-UHFFFAOYSA-N 1 0 383.583 2.509 20 0 GFADRO NC(=O)Cc1ccc(C[NH2+]CCC(=O)Nc2ccc(Br)cc2)cc1 ZINC000589648715 565168701 /nfs/dbraw/zinc/16/87/01/565168701.db2.gz LVTICDWLETZWKB-UHFFFAOYSA-N 1 0 390.281 2.595 20 0 GFADRO CCN(C(=O)C(=O)Nc1cccc(Br)c1C)[C@@H]1CC[N@H+](CC)C1 ZINC000658467577 565171548 /nfs/dbraw/zinc/17/15/48/565171548.db2.gz PQURZFVBDWYWCC-CYBMUJFWSA-N 1 0 382.302 2.639 20 0 GFADRO COc1ccc(C[N@H+](C)Cc2ccc(S(N)(=O)=O)c(Br)c2)cc1 ZINC000637843421 565174587 /nfs/dbraw/zinc/17/45/87/565174587.db2.gz XZAVREHPURBLTC-UHFFFAOYSA-N 1 0 399.310 2.737 20 0 GFADRO CO[C@@H]1C[NH2+][C@](C)(C(=O)Nc2nnc(SCc3ccc(F)cc3)s2)C1 ZINC000637874643 565175731 /nfs/dbraw/zinc/17/57/31/565175731.db2.gz DELSPFAUSUPFET-LRDDRELGSA-N 1 0 382.486 2.675 20 0 GFADRO C[N@@H+](Cc1ccccc1)C[C@H](N)C(=O)NCc1csc(Br)c1 ZINC000637934586 565177819 /nfs/dbraw/zinc/17/78/19/565177819.db2.gz JVKTVZZNBUGFGV-AWEZNQCLSA-N 1 0 382.327 2.586 20 0 GFADRO C[NH+](C)CCCC(C)(C)NC(=O)c1cc(Br)cc2[nH]c(=O)[nH]c21 ZINC000615856108 565178052 /nfs/dbraw/zinc/17/80/52/565178052.db2.gz CXJHYWMTRYXIFY-UHFFFAOYSA-N 1 0 383.290 2.881 20 0 GFADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)Cc1sc(C)nc1-c1cccs1 ZINC000590122631 565178363 /nfs/dbraw/zinc/17/83/63/565178363.db2.gz ZIIRPFYZYZRPEX-AWEZNQCLSA-N 1 0 379.551 2.950 20 0 GFADRO C[N@H+](CC1CC1)C[C@H]1CCN(Cc2cnn3cc(Br)cnc23)C1 ZINC000638134956 565186550 /nfs/dbraw/zinc/18/65/50/565186550.db2.gz QRVYOUYXYXZATG-CQSZACIVSA-N 1 0 378.318 2.656 20 0 GFADRO CCN(C(=O)C(=O)NCCCc1c(Cl)cccc1Cl)[C@@H]1CC[N@H+](C)C1 ZINC000658803255 565187974 /nfs/dbraw/zinc/18/79/74/565187974.db2.gz OZFHKSXGVXHFSE-CYBMUJFWSA-N 1 0 386.323 2.595 20 0 GFADRO O=C(c1cc2cc(Br)ccc2s1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000638231055 565189040 /nfs/dbraw/zinc/18/90/40/565189040.db2.gz ZCSQNEYSWPGCOC-AWEZNQCLSA-N 1 0 394.338 2.784 20 0 GFADRO COc1nsc(CNc2ccc(N3CC[NH+](C)CC3)nc2)c1Br ZINC000638274502 565189938 /nfs/dbraw/zinc/18/99/38/565189938.db2.gz QPAVAYXRPGVLER-UHFFFAOYSA-N 1 0 398.330 2.673 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+]C[C@@H](c2cccc(Cl)c2)N2CCCC2)o1 ZINC000638360451 565194296 /nfs/dbraw/zinc/19/42/96/565194296.db2.gz GWAFZHGWHRVVRQ-INIZCTEOSA-N 1 0 383.901 2.507 20 0 GFADRO C[N@@H+]1CCC[C@H](CCNC(=O)c2cc(Br)cc3c2OCCO3)C1 ZINC000616234556 565194678 /nfs/dbraw/zinc/19/46/78/565194678.db2.gz XQLPRRNETKZOIE-GFCCVEGCSA-N 1 0 383.286 2.682 20 0 GFADRO CO[C@H](C[NH2+]C[C@H]1CCN(c2ccc(Br)cc2)C1)[C@@H]1CCOC1 ZINC000638407834 565194618 /nfs/dbraw/zinc/19/46/18/565194618.db2.gz XWAXLIKYWJIHRE-IIDMSEBBSA-N 1 0 383.330 2.917 20 0 GFADRO C[C@H](COc1ccccc1C(F)(F)F)[NH2+]Cc1ccc(S(N)(=O)=O)s1 ZINC000638412324 565195385 /nfs/dbraw/zinc/19/53/85/565195385.db2.gz XNPDHBZUXBHGFT-SNVBAGLBSA-N 1 0 394.440 2.971 20 0 GFADRO C[C@@H](CCc1ccc(Br)cc1)[NH2+]Cc1ccc(S(N)(=O)=O)o1 ZINC000638407525 565195483 /nfs/dbraw/zinc/19/54/83/565195483.db2.gz QRSIONLNRYBPKS-NSHDSACASA-N 1 0 387.299 2.800 20 0 GFADRO C[C@H](C[C@H]1CCCC(=O)N1)[NH2+]C[C@H](O)COc1cccc(Cl)c1Cl ZINC000638424500 565195558 /nfs/dbraw/zinc/19/55/58/565195558.db2.gz AOXBWCKZRDPMQI-UPJWGTAASA-N 1 0 375.296 2.770 20 0 GFADRO CC[C@H]1C[C@H]([NH2+]CC(=O)Nc2ccc(I)cc2)CCO1 ZINC000590653589 565195588 /nfs/dbraw/zinc/19/55/88/565195588.db2.gz WZONSAHNCBNSAM-KGLIPLIRSA-N 1 0 388.249 2.777 20 0 GFADRO [NH3+][C@@H]1CN(C(=O)c2cc(Br)ccc2Br)CC[C@H]1F ZINC000638431349 565196866 /nfs/dbraw/zinc/19/68/66/565196866.db2.gz RDOJCGCAWOCZAT-GHMZBOCLSA-N 1 0 380.055 2.723 20 0 GFADRO CO[C@@H](C[NH2+]Cc1cc(Br)c2c(c1)OCCO2)C1CCOCC1 ZINC000638439905 565197079 /nfs/dbraw/zinc/19/70/79/565197079.db2.gz KRQMXAPLCIXEBU-INIZCTEOSA-N 1 0 386.286 2.752 20 0 GFADRO C[NH+](C)C1(CNC(=O)Cc2ccc(Br)c(Br)c2)CC1 ZINC000616340757 565197929 /nfs/dbraw/zinc/19/79/29/565197929.db2.gz HYALLBLDGZVQTR-UHFFFAOYSA-N 1 0 390.119 2.965 20 0 GFADRO [NH3+][C@@H]1CN(C(=O)Nc2cc(Br)ccc2N2CCCC2)CC[C@H]1F ZINC000659004275 565198469 /nfs/dbraw/zinc/19/84/69/565198469.db2.gz JWXDRWWZBHVYRB-CHWSQXEVSA-N 1 0 385.281 2.952 20 0 GFADRO C[NH2+]C[C@@H](C)NC(=O)Nc1cc(Br)cnc1OCC(F)(F)F ZINC000658994720 565198504 /nfs/dbraw/zinc/19/85/04/565198504.db2.gz QNAPGDYWNKCPIG-SSDOTTSWSA-N 1 0 385.184 2.515 20 0 GFADRO O=C(NCc1cc(Br)ccn1)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000659040374 565198963 /nfs/dbraw/zinc/19/89/63/565198963.db2.gz DMOFHCFRDGFFAL-INIZCTEOSA-N 1 0 391.269 2.827 20 0 GFADRO C[C@@H](C[C@@H]1CCCC(=O)N1)[NH2+]CCC(=O)Nc1ccc(Br)cc1 ZINC000638492746 565199098 /nfs/dbraw/zinc/19/90/98/565199098.db2.gz ZYQUZRQZVGDGJX-WFASDCNBSA-N 1 0 382.302 2.815 20 0 GFADRO Cc1cc(Br)c(Cl)cc1NC(=O)C(=O)N1C[C@H](C)[NH2+]C[C@@H]1C ZINC000659082412 565200220 /nfs/dbraw/zinc/20/02/20/565200220.db2.gz OCCLYIFOZMWLJZ-UWVGGRQHSA-N 1 0 388.693 2.558 20 0 GFADRO COc1ccc(Br)c(C(=O)NCCC[NH2+]C[C@@H](OC)C2CC2)c1 ZINC000638523876 565200070 /nfs/dbraw/zinc/20/00/70/565200070.db2.gz JMQXKJHJYSQOSN-MRXNPFEDSA-N 1 0 385.302 2.592 20 0 GFADRO COC(=O)[C@@H]1CCC[C@@H]1[NH2+]CCS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000590751350 565201168 /nfs/dbraw/zinc/20/11/68/565201168.db2.gz RWEODKYRDIQDHS-YPMHNXCESA-N 1 0 380.293 2.698 20 0 GFADRO COc1ccc(Cl)cc1NCC(=O)N1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000638556232 565201399 /nfs/dbraw/zinc/20/13/99/565201399.db2.gz JQRLYZUTXUHEHX-JQWIXIFHSA-N 1 0 379.810 2.746 20 0 GFADRO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)Nc1cccnc1-c1ccc(Cl)s1 ZINC000659105999 565201515 /nfs/dbraw/zinc/20/15/15/565201515.db2.gz DKEXFYOYTHFHGD-LLVKDONJSA-N 1 0 380.901 2.892 20 0 GFADRO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)Nc1ccc(Cl)c(Br)c1 ZINC000659107396 565201747 /nfs/dbraw/zinc/20/17/47/565201747.db2.gz ZVCJMCMTWRAOSP-GFCCVEGCSA-N 1 0 376.682 2.531 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)[C@H]2COc3ccc(Cl)cc3C2)CC[C@@H]1C(F)(F)F ZINC000638554525 565201945 /nfs/dbraw/zinc/20/19/45/565201945.db2.gz XQFCRCPCHXJZST-BZPMIXESSA-N 1 0 376.806 2.877 20 0 GFADRO COCCSc1ccc([C@@H](C)[NH2+]Cc2ccc(S(N)(=O)=O)cc2)cc1 ZINC000638539032 565202049 /nfs/dbraw/zinc/20/20/49/565202049.db2.gz YJODEERNVKCMIX-CQSZACIVSA-N 1 0 380.535 2.923 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+]CCCc2ccc(Br)cc2F)o1 ZINC000638610171 565203915 /nfs/dbraw/zinc/20/39/15/565203915.db2.gz OTDBVSXVBRJSDC-UHFFFAOYSA-N 1 0 391.262 2.551 20 0 GFADRO [NH3+]C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC000638594986 565204181 /nfs/dbraw/zinc/20/41/81/565204181.db2.gz CXRZALKHUKOPMZ-KCXAZCMYSA-N 1 0 392.297 2.788 20 0 GFADRO C[NH2+]CCOCCN(C)C(=O)c1ccc(Sc2ccccc2Cl)nn1 ZINC000638590848 565204435 /nfs/dbraw/zinc/20/44/35/565204435.db2.gz SMUBETGPAIZJDP-UHFFFAOYSA-N 1 0 380.901 2.589 20 0 GFADRO C[C@H]([NH2+][C@@H](C)[C@H]1CN(C)CCO1)c1ccc(F)c(I)c1 ZINC000590778301 565204559 /nfs/dbraw/zinc/20/45/59/565204559.db2.gz SUVWMYHSENQOTH-ZIBATOQPSA-N 1 0 392.256 2.800 20 0 GFADRO C[C@H](c1ccccc1)[C@@H](CO)[NH2+]Cc1cnn2cc(Br)cnc12 ZINC000638609904 565204706 /nfs/dbraw/zinc/20/47/06/565204706.db2.gz HMUOFJJUQLIKKO-MLGOLLRUSA-N 1 0 375.270 2.746 20 0 GFADRO CN1CC[C@H]([NH2+]C[C@@H](O)C2CCOCC2)C[C@@H]1c1ccc(Br)cc1 ZINC000638628968 565205020 /nfs/dbraw/zinc/20/50/20/565205020.db2.gz DHXDLYOZFLMENL-IPMKNSEASA-N 1 0 397.357 2.962 20 0 GFADRO Nc1ncc(C[NH2+]CCCCSc2ccccc2Br)c(N)n1 ZINC000638611964 565205630 /nfs/dbraw/zinc/20/56/30/565205630.db2.gz LBMWDJNMYXIAJN-UHFFFAOYSA-N 1 0 382.331 2.726 20 0 GFADRO C[C@H]1C[C@H](c2ccc(Br)cc2)CN1C(=O)COC1CC[NH2+]CC1 ZINC000638701241 565208116 /nfs/dbraw/zinc/20/81/16/565208116.db2.gz ZLQDENTYOAQJCV-ZFWWWQNUSA-N 1 0 381.314 2.922 20 0 GFADRO C[C@@H](Cc1ccccc1Br)[NH2+]Cc1ccc(S(N)(=O)=O)cc1 ZINC000638760235 565209736 /nfs/dbraw/zinc/20/97/36/565209736.db2.gz QMWMJDDRPLGLPR-LBPRGKRZSA-N 1 0 383.311 2.817 20 0 GFADRO CC(C)O[C@@H](C[NH2+]C[C@H](O)CS(=O)(=O)c1cccs1)c1ccccc1 ZINC000638774017 565210533 /nfs/dbraw/zinc/21/05/33/565210533.db2.gz VXDDGCKPPOIIJP-IRXDYDNUSA-N 1 0 383.535 2.639 20 0 GFADRO CN1CC[C@H]([NH2+]Cc2ccc(S(N)(=O)=O)cc2)[C@@H]1c1ccc(Cl)cc1 ZINC000638803016 565211829 /nfs/dbraw/zinc/21/18/29/565211829.db2.gz YTTSDXFYJBNERO-ROUUACIJSA-N 1 0 379.913 2.522 20 0 GFADRO COc1ccc(CCC(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c(Br)c1 ZINC000659304970 565211831 /nfs/dbraw/zinc/21/18/31/565211831.db2.gz XLTVKNJVMODLJK-QRTARXTBSA-N 1 0 381.314 2.976 20 0 GFADRO Cc1cc(C(=O)N2CCC(CO[C@H]3CC[NH2+]C3)CC2)ccc1Br ZINC000638782825 565212169 /nfs/dbraw/zinc/21/21/69/565212169.db2.gz CIWRWDWKYKDIAT-INIZCTEOSA-N 1 0 381.314 2.988 20 0 GFADRO [NH3+][C@@H]1CCCCCN(C(=O)C2CCN(C(=O)c3ccc(Cl)s3)CC2)C1 ZINC000638820789 565213521 /nfs/dbraw/zinc/21/35/21/565213521.db2.gz GFGKWRPOZBHJIN-CQSZACIVSA-N 1 0 383.945 2.984 20 0 GFADRO C[C@@H](CC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)n1cc(Br)cn1 ZINC000659349487 565214003 /nfs/dbraw/zinc/21/40/03/565214003.db2.gz HKVZEYVBGBKWNR-IAOVAPTHSA-N 1 0 391.313 2.859 20 0 GFADRO O=C(N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1)c1ncccc1Br ZINC000659355912 565214121 /nfs/dbraw/zinc/21/41/21/565214121.db2.gz YIVYUHWCBMKCEK-ZFWWWQNUSA-N 1 0 378.245 2.859 20 0 GFADRO C[C@@H]1CN(C(=O)[C@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)C[C@H]1C[NH3+] ZINC000638889144 565215272 /nfs/dbraw/zinc/21/52/72/565215272.db2.gz JPLIRIRERKEFQX-XHBSWPGZSA-N 1 0 384.307 2.651 20 0 GFADRO Cn1ncc(Br)c1CNC(=O)[C@H]([NH3+])c1ccc(C(F)(F)F)cc1 ZINC000638883670 565215618 /nfs/dbraw/zinc/21/56/18/565215618.db2.gz OXKSHCZRGZTVAU-GFCCVEGCSA-N 1 0 391.191 2.518 20 0 GFADRO Cc1cc(Br)cn2cc(CCNC(=O)NCC3([NH3+])CCCC3)nc12 ZINC000659482419 565217653 /nfs/dbraw/zinc/21/76/53/565217653.db2.gz RFHIXVFUZDXOSV-UHFFFAOYSA-N 1 0 394.317 2.518 20 0 GFADRO [NH3+]C1(CNC(=O)N[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)CCCC1 ZINC000659479102 565217857 /nfs/dbraw/zinc/21/78/57/565217857.db2.gz FADMVDIYUYDNBR-AWEZNQCLSA-N 1 0 385.295 2.669 20 0 GFADRO C[C@@H](CNC(=O)NCc1nc(C[NH3+])cc(=O)[nH]1)c1c(Cl)cccc1Cl ZINC000659448149 565218396 /nfs/dbraw/zinc/21/83/96/565218396.db2.gz MDQPQEAYICKEPM-VIFPVBQESA-N 1 0 384.267 2.551 20 0 GFADRO O=C(NC[C@H]1CCC[NH2+]C1)N1CCOC[C@@H]1c1ccc(Br)cc1 ZINC000659509162 565218871 /nfs/dbraw/zinc/21/88/71/565218871.db2.gz DWBUMPRHSPACRW-XJKSGUPXSA-N 1 0 382.302 2.532 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)Cc1cc2c(cc1Br)OCCO2 ZINC000617020453 565218859 /nfs/dbraw/zinc/21/88/59/565218859.db2.gz BSRFWNCOBYMUPJ-CYBMUJFWSA-N 1 0 397.313 2.752 20 0 GFADRO O=C(Nc1cc(N2CC[NH2+]CC2)ccn1)c1c(F)cccc1Br ZINC000638988079 565219912 /nfs/dbraw/zinc/21/99/12/565219912.db2.gz RTVDWFGCDDVCFU-UHFFFAOYSA-N 1 0 379.233 2.645 20 0 GFADRO Cn1nc2c(c1NC(=O)[C@](C)([NH3+])c1ccc(Br)cc1)CCCC2 ZINC000638988125 565219984 /nfs/dbraw/zinc/21/99/84/565219984.db2.gz BZPYPZTYVNQSDN-QGZVFWFLSA-N 1 0 377.286 2.874 20 0 GFADRO [NH3+]C1(CNC(=O)N[C@H](CO)c2ccc(Cl)cc2C(F)(F)F)CCCC1 ZINC000659575058 565220023 /nfs/dbraw/zinc/22/00/23/565220023.db2.gz SWWLHPFZVSZNSB-CYBMUJFWSA-N 1 0 379.810 2.963 20 0 GFADRO O=C(NCCC1CC[NH2+]CC1)N1CCOC[C@H]1c1ccc(Br)cc1 ZINC000659560874 565220180 /nfs/dbraw/zinc/22/01/80/565220180.db2.gz CMCJTHHZHFKGDV-KRWDZBQOSA-N 1 0 396.329 2.922 20 0 GFADRO [NH3+]C[C@H](NC(=O)N1CCOc2cc(Br)ccc2C1)C1CCCC1 ZINC000659544310 565220418 /nfs/dbraw/zinc/22/04/18/565220418.db2.gz VJOFRMORLQGWBH-HNNXBMFYSA-N 1 0 382.302 2.871 20 0 GFADRO COc1ccc(Br)cc1C(=O)CCC(=O)N[C@H]1CC[C@H]([NH3+])CC1 ZINC000639024653 565221067 /nfs/dbraw/zinc/22/10/67/565221067.db2.gz UXNDSEBIPLGWTR-JOCQHMNTSA-N 1 0 383.286 2.807 20 0 GFADRO CCn1cc(Br)cc1C(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000617112774 565221486 /nfs/dbraw/zinc/22/14/86/565221486.db2.gz JJHSGLPHFRLOSU-UHFFFAOYSA-N 1 0 398.345 2.891 20 0 GFADRO Cc1oc(Br)cc1C(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000617109751 565221721 /nfs/dbraw/zinc/22/17/21/565221721.db2.gz XCTCFMWZADEXCF-UHFFFAOYSA-N 1 0 385.302 2.971 20 0 GFADRO CC[C@H](C[NH+]1CCCC1)NC(=O)Cc1ccc(I)cc1 ZINC000617107701 565221803 /nfs/dbraw/zinc/22/18/03/565221803.db2.gz ZGNXMXZCBDBGJL-OAHLLOKOSA-N 1 0 386.277 2.824 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C(=O)N[C@H]1CC[C@H]([NH3+])CC1 ZINC000639032423 565221949 /nfs/dbraw/zinc/22/19/49/565221949.db2.gz XAHUKYKFCZADSK-HDJSIYSDSA-N 1 0 377.286 2.943 20 0 GFADRO Cc1ccc(CNC(=O)[C@]2([NH3+])[C@@H]3CCCO[C@@H]3C2(C)C)cc1Br ZINC000639035280 565222012 /nfs/dbraw/zinc/22/20/12/565222012.db2.gz BEGAKXIIBLBYPF-QIIPPGSGSA-N 1 0 381.314 2.906 20 0 GFADRO C[C@@]([NH3+])(C(=O)NCc1noc2c1CCCC2)c1ccc(Br)cc1 ZINC000639034023 565222023 /nfs/dbraw/zinc/22/20/23/565222023.db2.gz XLKRTQZWYQKCJX-KRWDZBQOSA-N 1 0 378.270 2.806 20 0 GFADRO CCOC(=O)c1cc(Br)ccc1NC(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000591292930 565222721 /nfs/dbraw/zinc/22/27/21/565222721.db2.gz SXBNRYKVLOKWIY-IAQYHMDHSA-N 1 0 396.285 2.842 20 0 GFADRO COCCN(CC[NH+](C)C)C(=O)c1cc2c([nH]1)c(Br)ccc2OC ZINC000591301480 565223036 /nfs/dbraw/zinc/22/30/36/565223036.db2.gz SMXCYCIUSUNWHK-UHFFFAOYSA-N 1 0 398.301 2.589 20 0 GFADRO CC(C)CNC(=O)CCC[N@H+](C)CC(=O)Nc1ccccc1Br ZINC000659831103 565225427 /nfs/dbraw/zinc/22/54/27/565225427.db2.gz CZSVLCGTDQQWMV-UHFFFAOYSA-N 1 0 384.318 2.872 20 0 GFADRO COc1nsc(CN2CC[N@@H+](C3CCOCC3)C[C@@H]2C)c1Br ZINC000639113663 565226037 /nfs/dbraw/zinc/22/60/37/565226037.db2.gz QUEFWRZYMWSKEP-NSHDSACASA-N 1 0 390.347 2.599 20 0 GFADRO C[C@H](C[C@@H]1CCCC(=O)N1)[NH2+][C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000639110038 565226484 /nfs/dbraw/zinc/22/64/84/565226484.db2.gz KGTHSAKYZUBWRO-INWMFGNUSA-N 1 0 394.313 2.591 20 0 GFADRO C[NH+](C)CCn1cc(NCc2ccc(F)cc2I)cn1 ZINC000591355887 565227589 /nfs/dbraw/zinc/22/75/89/565227589.db2.gz ZAYUEIQGMFRVPR-UHFFFAOYSA-N 1 0 388.228 2.801 20 0 GFADRO C[NH+](C)CCCCNS(=O)(=O)c1cccc(NCC2CCSCC2)c1 ZINC000639156889 565230816 /nfs/dbraw/zinc/23/08/16/565230816.db2.gz IUCNNYLWEVSKOD-UHFFFAOYSA-N 1 0 385.599 2.862 20 0 GFADRO CSc1ccc([C@@H](C[NH2+]Cc2ccc(S(N)(=O)=O)s2)N(C)C)cc1 ZINC000639213712 565233262 /nfs/dbraw/zinc/23/32/62/565233262.db2.gz OXJOCEGZNVVICN-OAHLLOKOSA-N 1 0 385.580 2.510 20 0 GFADRO Cn1cc(Br)cc1C(=O)NCCc1ccc(OCC[NH+](C)C)cc1 ZINC000591648568 565235260 /nfs/dbraw/zinc/23/52/60/565235260.db2.gz KXYLJEBSFSAIGW-UHFFFAOYSA-N 1 0 394.313 2.701 20 0 GFADRO Cc1ccc(NC(=O)[C@@H]2C[NH2+]CCC2(F)F)cc1I ZINC000591675087 565235482 /nfs/dbraw/zinc/23/54/82/565235482.db2.gz REFQCBVTCKAEML-JTQLQIEISA-N 1 0 380.176 2.783 20 0 GFADRO COc1ccc(C[C@H](CO)C[NH2+]Cc2ccc(CO)cc2)cc1Br ZINC000639248884 565236342 /nfs/dbraw/zinc/23/63/42/565236342.db2.gz FNEYMSJLZBOLRB-KRWDZBQOSA-N 1 0 394.309 2.891 20 0 GFADRO CN1CC[C@H]([NH2+]CC[C@]2(O)CCOC2)C[C@@H]1c1ccc(Br)cc1 ZINC000639296962 565238108 /nfs/dbraw/zinc/23/81/08/565238108.db2.gz SNTKNQUDLSEPHH-KSZLIROESA-N 1 0 383.330 2.716 20 0 GFADRO CCC[N@@H+]1CC[C@H](NS(=O)(=O)c2cc(Cl)ccc2OCCCOC)C1 ZINC000660026674 565240940 /nfs/dbraw/zinc/24/09/40/565240940.db2.gz IRYFXOJDIJAUTI-HNNXBMFYSA-N 1 0 390.933 2.518 20 0 GFADRO FC(F)(F)[C@H](C[NH2+]Cc1cnn2cc(Br)cnc12)n1cccn1 ZINC000639345973 565241144 /nfs/dbraw/zinc/24/11/44/565241144.db2.gz NCJZOHIQGKIIJS-NSHDSACASA-N 1 0 389.179 2.582 20 0 GFADRO CC(C)[N@H+](C)C[C@H](O)CNC1(c2ccc(Br)cc2)CCOCC1 ZINC000660035310 565242223 /nfs/dbraw/zinc/24/22/23/565242223.db2.gz VWHCMCHIUSOLHG-QGZVFWFLSA-N 1 0 385.346 2.746 20 0 GFADRO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)C1(c2ccc(Br)cc2)CC1 ZINC000617504189 565242581 /nfs/dbraw/zinc/24/25/81/565242581.db2.gz JXYNCBUCIKRLMQ-HNNXBMFYSA-N 1 0 396.373 2.869 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+][C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)cc1 ZINC000639359034 565242870 /nfs/dbraw/zinc/24/28/70/565242870.db2.gz XUGHGLRFGSCFSG-SJORKVTESA-N 1 0 384.860 2.746 20 0 GFADRO CCN(C(=O)Cc1csc(NC(=O)c2cccs2)n1)[C@H]1CC[N@H+](C)C1 ZINC000617559007 565247348 /nfs/dbraw/zinc/24/73/48/565247348.db2.gz QAPXOTXFYMFETB-ZDUSSCGKSA-N 1 0 378.523 2.552 20 0 GFADRO Cc1ncc(CNC(=O)CC[NH2+][C@@H](CO)c2cccc(Br)c2)s1 ZINC000639596246 565251260 /nfs/dbraw/zinc/25/12/60/565251260.db2.gz JTHNTLMWUYCKGG-HNNXBMFYSA-N 1 0 398.326 2.544 20 0 GFADRO Cc1oc(Br)cc1C(=O)NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000617696874 565252115 /nfs/dbraw/zinc/25/21/15/565252115.db2.gz QCDVUGSXWBCVLZ-HNNXBMFYSA-N 1 0 393.281 2.847 20 0 GFADRO CC(=O)NCC[N@H+](Cc1ccc(Br)s1)C[C@@H]1CCO[C@H]1C ZINC000639629410 565252508 /nfs/dbraw/zinc/25/25/08/565252508.db2.gz VKDGZDYVMOWOFT-AAEUAGOBSA-N 1 0 375.332 2.874 20 0 GFADRO COCC[N@@H+]1CCC[C@@H](NC(=O)CCOc2ccc(C)cc2Br)C1 ZINC000592094742 565255100 /nfs/dbraw/zinc/25/51/00/565255100.db2.gz GZJDYCNCAQYGBW-OAHLLOKOSA-N 1 0 399.329 2.753 20 0 GFADRO COCC[N@@H+]1CCC[C@@H](NC(=O)Cc2sc(C)nc2-c2cccs2)C1 ZINC000592095122 565255670 /nfs/dbraw/zinc/25/56/70/565255670.db2.gz IRKMOEQWCMSQAU-CQSZACIVSA-N 1 0 379.551 2.950 20 0 GFADRO C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NCCN(C)CCC[NH+](C)C ZINC000617763520 565257430 /nfs/dbraw/zinc/25/74/30/565257430.db2.gz SZXGHCZWHVRHGK-ZDUSSCGKSA-N 1 0 376.328 2.760 20 0 GFADRO Nc1nnc(C2CC[NH+](CCC(=O)Nc3cc(Cl)ccc3Cl)CC2)o1 ZINC000639740221 565258227 /nfs/dbraw/zinc/25/82/27/565258227.db2.gz WBHGSOWMZRUKCB-UHFFFAOYSA-N 1 0 384.267 3.167 20 0 GFADRO C[C@H](CC(=O)NCCN(C)CCC[NH+](C)C)c1ccc(Br)cc1 ZINC000617765561 565258464 /nfs/dbraw/zinc/25/84/64/565258464.db2.gz GQFCHAWHWKFPCE-OAHLLOKOSA-N 1 0 384.362 2.942 20 0 GFADRO CN(CCC[NH+](C)C)CCNC(=O)c1ccc(Cl)cc1Br ZINC000617765951 565258579 /nfs/dbraw/zinc/25/85/79/565258579.db2.gz XFKIONPTXNFPGX-UHFFFAOYSA-N 1 0 376.726 2.716 20 0 GFADRO CN(CCC[NH+](C)C)CCNC(=O)CCc1nc2cc(Cl)ccc2s1 ZINC000617766803 565258601 /nfs/dbraw/zinc/25/86/01/565258601.db2.gz VOHNANQGRISLBK-UHFFFAOYSA-N 1 0 382.961 2.882 20 0 GFADRO Nc1nnc([C@@H]2CCC[N@H+](CCOc3cc(F)cc(Br)c3)C2)o1 ZINC000639822605 565263010 /nfs/dbraw/zinc/26/30/10/565263010.db2.gz QQHOSQBFWRJPAV-SNVBAGLBSA-N 1 0 385.237 2.812 20 0 GFADRO O=S(=O)(NC[C@H]1CCC[N@H+](CC2CC2)C1)c1ccccc1Br ZINC000660178423 565264229 /nfs/dbraw/zinc/26/42/29/565264229.db2.gz JBDOATPHWWGGJH-CQSZACIVSA-N 1 0 387.343 2.849 20 0 GFADRO O=C(C[C@@H]1CC[NH2+]C1)NCc1cc(Cl)cc(I)c1 ZINC000592255586 565264508 /nfs/dbraw/zinc/26/45/08/565264508.db2.gz TYCSFNXKGFKUDX-VIFPVBQESA-N 1 0 378.641 2.560 20 0 GFADRO CC(C)[C@@H]1CN(S(=O)(=O)c2cc(Br)sc2Cl)CC[NH2+]1 ZINC000660187190 565265201 /nfs/dbraw/zinc/26/52/01/565265201.db2.gz BGQJRWPHVJYVCP-QMMMGPOBSA-N 1 0 387.752 2.783 20 0 GFADRO CNS(=O)(=O)c1ccc(C[NH2+][C@H](CCO)c2ccc(Cl)c(F)c2)cc1 ZINC000639917472 565267687 /nfs/dbraw/zinc/26/76/87/565267687.db2.gz GFTQGFFHOCQDFU-QGZVFWFLSA-N 1 0 386.876 2.601 20 0 GFADRO CCN(C(=O)c1cc(Br)c2c(c1)OCCO2)[C@H]1CC[N@H+](CC)C1 ZINC000617929528 565268106 /nfs/dbraw/zinc/26/81/06/565268106.db2.gz LJBOCYARTOKLPE-ZDUSSCGKSA-N 1 0 383.286 2.777 20 0 GFADRO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)c1ccc(I)c(Cl)c1 ZINC000592334898 565269892 /nfs/dbraw/zinc/26/98/92/565269892.db2.gz IAYJPEPSOQXNQO-UWVGGRQHSA-N 1 0 396.631 2.717 20 0 GFADRO Cn1cc(Br)cc1C(=O)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000617978718 565269948 /nfs/dbraw/zinc/26/99/48/565269948.db2.gz OKRSNOQBFVKOKB-UHFFFAOYSA-N 1 0 391.313 2.825 20 0 GFADRO CSCC[C@@H](NC(=O)c1ccccc1Cl)C(=O)N1CCC(C)([NH3+])CC1 ZINC000592331466 565270228 /nfs/dbraw/zinc/27/02/28/565270228.db2.gz POYBUCISUYNVHI-OAHLLOKOSA-N 1 0 383.945 2.531 20 0 GFADRO CC1([NH+]2CCCC2)CCN([C@@H](C(N)=O)c2cccc(Br)c2)CC1 ZINC000639983611 565272242 /nfs/dbraw/zinc/27/22/42/565272242.db2.gz KOTMNNZKUZLDIQ-MRXNPFEDSA-N 1 0 380.330 2.926 20 0 GFADRO COc1ncc(Br)cc1C[NH2+][C@@H]1CCCC[C@H]1N1CCOCC1 ZINC000660386839 565274092 /nfs/dbraw/zinc/27/40/92/565274092.db2.gz DOQOIMHUJAKOTL-HZPDHXFCSA-N 1 0 384.318 2.586 20 0 GFADRO O=C(CCc1ccc(Br)cc1F)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000592405143 565274241 /nfs/dbraw/zinc/27/42/41/565274241.db2.gz BCOFRVADAMFMMM-SJORKVTESA-N 1 0 399.304 2.578 20 0 GFADRO Cc1nc(-c2cccs2)c(CC(=O)N2CC[NH+](CC(C)(C)O)CC2)s1 ZINC000592407508 565275194 /nfs/dbraw/zinc/27/51/94/565275194.db2.gz LMTALTMDTZORTR-UHFFFAOYSA-N 1 0 379.551 2.638 20 0 GFADRO O=C(N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)C1(c2cccc(Br)c2)CC1 ZINC000592407210 565275362 /nfs/dbraw/zinc/27/53/62/565275362.db2.gz CADYQTWBWPBWLO-SJORKVTESA-N 1 0 393.325 2.538 20 0 GFADRO COC(=O)c1cc(F)c(Br)cc1NC(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000592425575 565275566 /nfs/dbraw/zinc/27/55/66/565275566.db2.gz DWCQHVQLLXQKKU-SFYZADRCSA-N 1 0 376.226 2.622 20 0 GFADRO O=C([C@@H]1CCC[N@@H+]1C1CC1)N1CCN(c2ccc(Br)cc2)CC1 ZINC000618180614 565277523 /nfs/dbraw/zinc/27/75/23/565277523.db2.gz GXYKRUCTRQLHGU-KRWDZBQOSA-N 1 0 378.314 2.725 20 0 GFADRO C[NH2+]CCCNC(=O)C[C@H](C)CCc1ccc(I)cc1 ZINC000592460504 565277868 /nfs/dbraw/zinc/27/78/68/565277868.db2.gz MMANHJPQXOWHKD-CYBMUJFWSA-N 1 0 388.293 2.976 20 0 GFADRO CN(Cc1cc(Br)cs1)C(=O)c1cnn2c1[C@@H](C[NH3+])CCC2 ZINC000592495896 565278739 /nfs/dbraw/zinc/27/87/39/565278739.db2.gz WHKPSXWGMGGNRD-SNVBAGLBSA-N 1 0 383.315 2.815 20 0 GFADRO CCOc1cc(Br)c(CC(=O)N(C)CC2C[NH+](C)C2)cc1OCC ZINC000618196581 565279147 /nfs/dbraw/zinc/27/91/47/565279147.db2.gz CNBKYXZTKTXGHM-UHFFFAOYSA-N 1 0 399.329 2.809 20 0 GFADRO CN(Cc1cc(Br)ccc1F)C(=O)c1cnn2c1[C@H](C[NH3+])CCC2 ZINC000592518494 565280050 /nfs/dbraw/zinc/28/00/50/565280050.db2.gz UMOQGYANWUSDIW-NSHDSACASA-N 1 0 395.276 2.893 20 0 GFADRO Cc1nn(C)c(NC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1Br ZINC000640165081 565282766 /nfs/dbraw/zinc/28/27/66/565282766.db2.gz HIGNBMBOSOAGNK-JSGCOSHPSA-N 1 0 396.333 2.972 20 0 GFADRO Cc1nn(C)c(NC(=O)Nc2cnn(C3CC[NH+](C)CC3)c2)c1Br ZINC000640168875 565284390 /nfs/dbraw/zinc/28/43/90/565284390.db2.gz IKAISFQKFQZMLC-UHFFFAOYSA-N 1 0 396.293 2.598 20 0 GFADRO C[N@@H+]1CC[C@]2(C1)CCCN(CC(=O)Nc1ccc(Br)cc1F)C2 ZINC000660658409 565288218 /nfs/dbraw/zinc/28/82/18/565288218.db2.gz ZGQGHFVDYWIBRX-KRWDZBQOSA-N 1 0 384.293 2.944 20 0 GFADRO CN(Cc1cc(Br)cs1)C(=O)C[NH2+][C@H]1CCCn2nccc21 ZINC000640220462 565288986 /nfs/dbraw/zinc/28/89/86/565288986.db2.gz ZTFRULBXXSFKMQ-ZDUSSCGKSA-N 1 0 383.315 2.790 20 0 GFADRO CN(C)[C@H](CNC(=O)Nc1nn(CC(F)(F)F)cc1Cl)c1ccco1 ZINC000640289401 565293544 /nfs/dbraw/zinc/29/35/44/565293544.db2.gz BBPHVPXYCNBWFL-SNVBAGLBSA-N 1 0 379.770 3.116 20 0 GFADRO CC[NH+]1CCC(CCNC(=O)Nc2nn(CC(F)(F)F)cc2Cl)CC1 ZINC000640293181 565294360 /nfs/dbraw/zinc/29/43/60/565294360.db2.gz RQPVYDDHIPVUDD-UHFFFAOYSA-N 1 0 381.830 3.342 20 0 GFADRO C[NH+](C)[C@@]1(CNC(=O)N[C@@H](CO)c2cccc(Cl)c2Cl)CCSC1 ZINC000660826126 565295591 /nfs/dbraw/zinc/29/55/91/565295591.db2.gz ZKBHFANCOCVPEI-XJKSGUPXSA-N 1 0 392.352 2.763 20 0 GFADRO CC1CC[NH+](C[C@H]2CCCN(C(=O)Nc3nn(C)cc3Br)C2)CC1 ZINC000640324251 565302162 /nfs/dbraw/zinc/30/21/62/565302162.db2.gz CXRSTPTUHWXGPG-CQSZACIVSA-N 1 0 398.349 3.158 20 0 GFADRO C[N@H+](C[C@@H](O)COc1ccc(Br)cc1)[C@H](CO)Cc1ccccc1 ZINC000661096543 565306984 /nfs/dbraw/zinc/30/69/84/565306984.db2.gz FLRPYKMIFKCIQP-ZWKOTPCHSA-N 1 0 394.309 2.724 20 0 GFADRO COC[C@H]([NH2+]CCS(=O)(=O)c1cc(Cl)ccc1Cl)C1CCOCC1 ZINC000661159454 565311811 /nfs/dbraw/zinc/31/18/11/565311811.db2.gz FPCHNTWVNBIONH-HNNXBMFYSA-N 1 0 396.336 2.798 20 0 GFADRO CO[C@@H]1CCC[C@H]([C@H](CO)[NH2+]CCC(=O)Nc2ccccc2Br)C1 ZINC000661214846 565313869 /nfs/dbraw/zinc/31/38/69/565313869.db2.gz AWVSAICKTTYCBW-VBQJREDUSA-N 1 0 399.329 2.933 20 0 GFADRO COC(=O)[C@@H]1C[N@H+](C[C@H](O)COc2ccc(Cl)c(Cl)c2)C[C@H]1C1CC1 ZINC000593127510 565314811 /nfs/dbraw/zinc/31/48/11/565314811.db2.gz XSFNLACNIKDJFL-AEGPPILISA-N 1 0 388.291 2.864 20 0 GFADRO COCC[N@@H+]1CCC[C@@H](NC(=O)CCc2cc(Br)cs2)C1 ZINC000593215301 565320627 /nfs/dbraw/zinc/32/06/27/565320627.db2.gz CEFKBFGJPSIWIR-CYBMUJFWSA-N 1 0 375.332 2.670 20 0 GFADRO C[C@@H]1CCC[N@H+](C[C@@H](O)COc2cc(F)cc(Br)c2)[C@H]1CCO ZINC000661490615 565325851 /nfs/dbraw/zinc/32/58/51/565325851.db2.gz FEIMNEBZCJLQPB-VMGRFDJRSA-N 1 0 390.293 2.811 20 0 GFADRO C[C@H]1CCC[N@H+](CC(=O)N(C)Cc2ccccc2Br)[C@H]1CCO ZINC000661484458 565326173 /nfs/dbraw/zinc/32/61/73/565326173.db2.gz HFQWKPKKDLIJEO-YOEHRIQHSA-N 1 0 383.330 2.890 20 0 GFADRO C[C@@H](NC(=O)Cn1cc(C[C@@H]2CC[NH2+]C2)nn1)c1ccc(Cl)c(Cl)c1 ZINC000640848071 565331298 /nfs/dbraw/zinc/33/12/98/565331298.db2.gz NDDMQCGLACCBOB-NEPJUHHUSA-N 1 0 382.295 2.614 20 0 GFADRO CC(C)(C)[C@@H]([NH3+])c1cn(Cc2cc3c(cc2Br)OCCO3)nn1 ZINC000640850793 565331418 /nfs/dbraw/zinc/33/14/18/565331418.db2.gz CPFPVDGZACFMQD-HNNXBMFYSA-N 1 0 381.274 2.906 20 0 GFADRO O=C1[C@H]([N@@H+]2CCC[C@@](O)(C3CC3)C2)CCN1c1cccc(Br)c1 ZINC000661632107 565331948 /nfs/dbraw/zinc/33/19/48/565331948.db2.gz NLJFSOZYKQMLCT-AEFFLSMTSA-N 1 0 379.298 2.791 20 0 GFADRO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)N[C@@H](CO)c1ccc(Br)cc1 ZINC000661897980 565342374 /nfs/dbraw/zinc/34/23/74/565342374.db2.gz MQEWNCVYOIIREV-PBHICJAKSA-N 1 0 398.345 2.902 20 0 GFADRO O=C(N[C@@H](CO)c1ccc(Cl)cc1C(F)(F)F)N[C@H]1CCC[NH2+]CC1 ZINC000641041466 565342512 /nfs/dbraw/zinc/34/25/12/565342512.db2.gz CKUHWBBKWWZWNN-FZMZJTMJSA-N 1 0 379.810 2.834 20 0 GFADRO CC[C@](C)([NH3+])c1cn(Cc2nc(-c3ccc(Br)s3)no2)nn1 ZINC000641048285 565343380 /nfs/dbraw/zinc/34/33/80/565343380.db2.gz DOFDGEPBVQYKIY-ZDUSSCGKSA-N 1 0 383.275 2.784 20 0 GFADRO COCc1nc(Cn2cc([C@H]([NH3+])c3ccc(Br)cc3)nn2)cs1 ZINC000641093134 565344833 /nfs/dbraw/zinc/34/48/33/565344833.db2.gz DWYXXMGFUARIDG-OAHLLOKOSA-N 1 0 394.298 2.740 20 0 GFADRO CN(C)C(=O)N(C)[C@H]1CC[N@H+](CCOc2cc(F)cc(Br)c2)C1 ZINC000662010616 565344800 /nfs/dbraw/zinc/34/48/00/565344800.db2.gz GOKYHXKYSCGOBM-AWEZNQCLSA-N 1 0 388.281 2.655 20 0 GFADRO CC[C@](C)([NH3+])c1cn([C@@H]2CCN(c3cccc(Br)c3)C2=O)nn1 ZINC000641105051 565346022 /nfs/dbraw/zinc/34/60/22/565346022.db2.gz OHNAXQROMIJEQH-CJNGLKHVSA-N 1 0 378.274 2.603 20 0 GFADRO CC[C@H]([NH2+]C[C@@H](CO)[C@@H]1CCOC1)c1ccc(I)cc1 ZINC000619508780 565346060 /nfs/dbraw/zinc/34/60/60/565346060.db2.gz HAJMLKUXJMDTDM-YCPHGPKFSA-N 1 0 389.277 2.977 20 0 GFADRO CC[C@@H]1C[N@H+](C)CCCN1C(=O)c1ccc(I)c(F)c1 ZINC000619578262 565349443 /nfs/dbraw/zinc/34/94/43/565349443.db2.gz FIAOPUKSUGORIG-GFCCVEGCSA-N 1 0 390.240 2.987 20 0 GFADRO C[C@@H](C(=O)Nc1ccc(Cl)c(Cl)c1)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000662153017 565351009 /nfs/dbraw/zinc/35/10/09/565351009.db2.gz LZQOQADCDQYZAF-WFASDCNBSA-N 1 0 386.323 2.851 20 0 GFADRO C[C@@H]1C[N@H+](C[C@@H](O)COc2ccc(Cl)cc2Br)C[C@@]1(C)CO ZINC000662136943 565351345 /nfs/dbraw/zinc/35/13/45/565351345.db2.gz WCXGDSBHYZFRMF-KFNAQCHYSA-N 1 0 392.721 2.793 20 0 GFADRO O=C1C[C@H](C[N@@H+]2CCc3cc(Br)c(Br)cc3C2)CN1 ZINC000662112561 565351977 /nfs/dbraw/zinc/35/19/77/565351977.db2.gz ZAVFIHJXGGPRES-VIFPVBQESA-N 1 0 388.103 2.706 20 0 GFADRO C[C@@H](C(=O)Nc1cccc(Cl)c1Cl)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000662154206 565352673 /nfs/dbraw/zinc/35/26/73/565352673.db2.gz FKRLTQGDJNEZGA-GXTWGEPZSA-N 1 0 386.323 2.851 20 0 GFADRO CCC[N@H+](C)CC(C)(C)NCc1nnnn1-c1ccccc1Br ZINC000662174532 565353045 /nfs/dbraw/zinc/35/30/45/565353045.db2.gz IYMUZUAAXRKNHL-UHFFFAOYSA-N 1 0 381.322 2.635 20 0 GFADRO CC[C@@H]([NH3+])c1cn(C[C@H](O)COc2ccc(Cl)cc2Br)nn1 ZINC000641213916 565354533 /nfs/dbraw/zinc/35/45/33/565354533.db2.gz OUFARRQCYLNPLH-CMPLNLGQSA-N 1 0 389.681 2.544 20 0 GFADRO COc1ncc(Br)cc1CN1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000662281231 565357828 /nfs/dbraw/zinc/35/78/28/565357828.db2.gz KPJWJEBJOUIQOS-HZPDHXFCSA-N 1 0 384.318 2.571 20 0 GFADRO C[C@@H](c1ccc(Br)cc1)N1CCN(C[C@@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662264055 565358249 /nfs/dbraw/zinc/35/82/49/565358249.db2.gz POCYCGGUNJLRKR-YJBOKZPZSA-N 1 0 394.357 2.649 20 0 GFADRO NC(=O)c1cccc2c1CC[N@H+](CCOc1cccc(Br)c1)C2 ZINC000662300809 565359608 /nfs/dbraw/zinc/35/96/08/565359608.db2.gz KCMKZJBUVRSEPV-UHFFFAOYSA-N 1 0 375.266 2.985 20 0 GFADRO CN(CC(=O)Nc1nc(-c2ccc(F)cc2)cs1)[C@@H](C[NH3+])C(F)(F)F ZINC000662333030 565361403 /nfs/dbraw/zinc/36/14/03/565361403.db2.gz SETOJCIBYJUELH-LBPRGKRZSA-N 1 0 376.379 2.709 20 0 GFADRO CCC[N@@H+]1CC[C@H](NC(=O)[C@]23CCC(=O)N2c2cc(Cl)ccc2S3)C1 ZINC000619895526 565361637 /nfs/dbraw/zinc/36/16/37/565361637.db2.gz UNOHEPDBQIWNFN-SCLBCKFNSA-N 1 0 379.913 2.869 20 0 GFADRO CCC[N@@H+]1CC[C@@H](NC(=O)C[C@@H](NC(C)=O)c2ccc(Br)cc2)C1 ZINC000619893353 565361826 /nfs/dbraw/zinc/36/18/26/565361826.db2.gz GVAZBHXRXOCHQW-IAGOWNOFSA-N 1 0 396.329 2.617 20 0 GFADRO CN[C@H](C(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1cccc(Cl)c1Cl ZINC000662367775 565363250 /nfs/dbraw/zinc/36/32/50/565363250.db2.gz GLKFNYFDMYMUJC-AHIWAGSCSA-N 1 0 388.339 2.869 20 0 GFADRO CN[C@@H](C(=O)N1CCN(c2cc[nH+]cc2)CC1)c1cccc(Cl)c1Cl ZINC000662357230 565363441 /nfs/dbraw/zinc/36/34/41/565363441.db2.gz UIAITRJFAIIXQF-QGZVFWFLSA-N 1 0 379.291 2.998 20 0 GFADRO CCC[N@@H+]1CC[C@H](NC(=O)COc2ccc(Br)cc2C(C)=O)C1 ZINC000619904588 565363792 /nfs/dbraw/zinc/36/37/92/565363792.db2.gz OARJGLMKGUSAPO-AWEZNQCLSA-N 1 0 383.286 2.631 20 0 GFADRO O=C(NCCOc1cccc(Br)c1)c1cc(C2CC[NH2+]CC2)no1 ZINC000662400403 565366778 /nfs/dbraw/zinc/36/67/78/565366778.db2.gz VWUGMNMWLLURPK-UHFFFAOYSA-N 1 0 394.269 2.713 20 0 GFADRO O=C(NCc1ccc(Br)cc1Cl)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC000662417572 565366802 /nfs/dbraw/zinc/36/68/02/565366802.db2.gz SNSVLJTVNYWRQW-SNVBAGLBSA-N 1 0 383.677 2.833 20 0 GFADRO O=C(c1sc2c(c1Br)CNC2)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000662451517 565369150 /nfs/dbraw/zinc/36/91/50/565369150.db2.gz DKPNXNRRUNTJRI-LLVKDONJSA-N 1 0 384.343 2.814 20 0 GFADRO CC[NH+](CC)CCCC1CCN(S(=O)(=O)Cc2cc(OC)ns2)CC1 ZINC000641418602 565371626 /nfs/dbraw/zinc/37/16/26/565371626.db2.gz OWXQCJUBCPMLPS-UHFFFAOYSA-N 1 0 389.587 2.816 20 0 GFADRO CN(Cc1cccc(Br)c1)C(=O)c1cn([C@@H]2CCC[NH2+]CC2)nn1 ZINC000662480875 565371712 /nfs/dbraw/zinc/37/17/12/565371712.db2.gz XTQBTOKDRBVCPC-OAHLLOKOSA-N 1 0 392.301 2.627 20 0 GFADRO O=C(c1cc(-c2cccc(Br)c2)no1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000662519151 565374020 /nfs/dbraw/zinc/37/40/20/565374020.db2.gz NLCZZVSCXUBGRE-XHDPSFHLSA-N 1 0 376.254 2.928 20 0 GFADRO [NH3+]C[C@H]1OCC[C@H]1C(=O)N1CCC(COc2cc(Cl)cc(Cl)c2)CC1 ZINC000662623939 565379515 /nfs/dbraw/zinc/37/95/15/565379515.db2.gz HHJZRTCXJWJUER-IAGOWNOFSA-N 1 0 387.307 2.975 20 0 GFADRO C[C@H](CNC(=O)c1cc(C(C)(C)[NH3+])no1)Oc1cccc(Br)c1 ZINC000662633383 565379867 /nfs/dbraw/zinc/37/98/67/565379867.db2.gz ZZFVJATZUZSEKT-SNVBAGLBSA-N 1 0 382.258 2.828 20 0 GFADRO C[C@H](CNC(=O)[C@@]1(C(F)(F)F)CC[NH2+]C1)Oc1ccccc1Br ZINC000662633017 565379969 /nfs/dbraw/zinc/37/99/69/565379969.db2.gz XGJLCPMCQNUVLI-QMTHXVAHSA-N 1 0 395.219 2.875 20 0 GFADRO Cn1cc([C@H]2N(C(=O)[C@](C)([NH3+])c3ccc(Br)cc3)CC2(C)C)cn1 ZINC000662755142 565384391 /nfs/dbraw/zinc/38/43/91/565384391.db2.gz DISSSNNJALWCNZ-CRAIPNDOSA-N 1 0 391.313 2.966 20 0 GFADRO Cc1ccc(S(=O)(=O)N2CCC3(C2)CC[NH+](C)CC3)c(Br)c1 ZINC000641589498 565384664 /nfs/dbraw/zinc/38/46/64/565384664.db2.gz KLMHXWKYSNTCHE-UHFFFAOYSA-N 1 0 387.343 2.864 20 0 GFADRO CC(C)(C(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1)c1ccccc1Br ZINC000620478430 565384901 /nfs/dbraw/zinc/38/49/01/565384901.db2.gz XMUDNQUFGMHSFY-OAHLLOKOSA-N 1 0 395.341 2.784 20 0 GFADRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)[C@@H]3CCO[C@H]3c3cncc(Br)c3)C[C@H]21 ZINC000662765425 565384941 /nfs/dbraw/zinc/38/49/41/565384941.db2.gz GECPEOUPDMWOKJ-JCGSOOFXSA-N 1 0 394.313 2.508 20 0 GFADRO O=C(N1CCO[C@H](c2ccc(F)cc2Cl)C1)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662802171 565385902 /nfs/dbraw/zinc/38/59/02/565385902.db2.gz GKEPTACYRAKDPP-DZGCQCFKSA-N 1 0 380.769 2.921 20 0 GFADRO CC(C)(C)n1cc(Br)c(C(=O)N2C[C@@H]([NH3+])Cc3ccccc32)n1 ZINC000662815416 565386320 /nfs/dbraw/zinc/38/63/20/565386320.db2.gz DNSYFSMGNMDNKU-LBPRGKRZSA-N 1 0 377.286 2.931 20 0 GFADRO C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000620486410 565386349 /nfs/dbraw/zinc/38/63/49/565386349.db2.gz GDKUXYLKJAQNPK-JSGCOSHPSA-N 1 0 387.307 2.818 20 0 GFADRO O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1sc2c(c1Br)CNC2 ZINC000662835625 565386864 /nfs/dbraw/zinc/38/68/64/565386864.db2.gz QLFNONQSHSMZPN-NEPJUHHUSA-N 1 0 384.343 2.861 20 0 GFADRO Cc1c(C[NH3+])c(NC(=O)c2cc(Br)cc(OC(C)C)c2)nn1C ZINC000662836622 565386895 /nfs/dbraw/zinc/38/68/95/565386895.db2.gz BUTKTFXIZBDOBU-UHFFFAOYSA-N 1 0 381.274 2.989 20 0 GFADRO [NH3+]C[C@@H]1OCC[C@H]1C(=O)N1CCN(c2cc(Cl)c(Cl)c(Cl)c2)CC1 ZINC000662834113 565387089 /nfs/dbraw/zinc/38/70/89/565387089.db2.gz YNACHAZKJYDWCI-RISCZKNCSA-N 1 0 392.714 2.659 20 0 GFADRO CN(C)c1ncc(Br)cc1C(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662845215 565387437 /nfs/dbraw/zinc/38/74/37/565387437.db2.gz FRHFZVSQMUINLS-AWEZNQCLSA-N 1 0 395.345 2.762 20 0 GFADRO Cc1c(Br)cncc1C(=O)N1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000662832752 565387587 /nfs/dbraw/zinc/38/75/87/565387587.db2.gz YCTXFTXWMQQMKV-DAXOMENPSA-N 1 0 382.302 2.654 20 0 GFADRO O=C(NCC[NH+]1CCCCC1)NCc1cc(Br)c2c(c1)OCCO2 ZINC000620545730 565387767 /nfs/dbraw/zinc/38/77/67/565387767.db2.gz GXNRDXXIYCNIJQ-UHFFFAOYSA-N 1 0 398.301 2.505 20 0 GFADRO O=C(N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)C(=O)c1ccc(Br)cc1 ZINC000662866930 565388046 /nfs/dbraw/zinc/38/80/46/565388046.db2.gz HGMSBISKRLGURX-IAGOWNOFSA-N 1 0 387.277 2.894 20 0 GFADRO C[C@H](C[NH+](C)C)[C@@H]1CCCCN1S(=O)(=O)c1cnccc1C(F)(F)F ZINC000641625814 565388411 /nfs/dbraw/zinc/38/84/11/565388411.db2.gz XNQNNCXTCRXKLW-OCCSQVGLSA-N 1 0 379.448 2.841 20 0 GFADRO C[C@]([NH3+])(C(=O)N[C@H]1COc2cc(F)ccc2C1)c1ccc(Br)cc1 ZINC000662874207 565388470 /nfs/dbraw/zinc/38/84/70/565388470.db2.gz GOCBFZYSYZNXGI-CRAIPNDOSA-N 1 0 393.256 2.882 20 0 GFADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)c1F ZINC000594462372 565389149 /nfs/dbraw/zinc/38/91/49/565389149.db2.gz CGLWNYUSUZSYNR-JTQLQIEISA-N 1 0 394.896 2.520 20 0 GFADRO CCC[N@H+](C)CC(C)(C)NC(=O)c1cc(Br)cc2[nH]c(=O)[nH]c21 ZINC000620621829 565389377 /nfs/dbraw/zinc/38/93/77/565389377.db2.gz XILVYLDNBAGTKI-UHFFFAOYSA-N 1 0 383.290 2.881 20 0 GFADRO Cc1c(Cl)cccc1-n1ccnc1SCC(=O)NCC12CC(C1)C[NH2+]2 ZINC000662923781 565389775 /nfs/dbraw/zinc/38/97/75/565389775.db2.gz RIBISAZLJMOVSM-UHFFFAOYSA-N 1 0 376.913 2.794 20 0 GFADRO Cc1cc(COc2ccc(C(=O)N[C@@]3(C)CC[NH2+]C3)cc2Br)no1 ZINC000663012325 565393785 /nfs/dbraw/zinc/39/37/85/565393785.db2.gz VYPFDEFZRANWLI-KRWDZBQOSA-N 1 0 394.269 2.806 20 0 GFADRO OC1CCN(CC[NH2+]Cc2cc(Br)sc2Br)CC1 ZINC000641758246 565397662 /nfs/dbraw/zinc/39/76/62/565397662.db2.gz LJJVSMMYOHONIR-UHFFFAOYSA-N 1 0 398.164 2.819 20 0 GFADRO CN(CCCC[NH+]1CCCCC1)C(=O)NCc1c(Br)cnn1C ZINC000641837383 565399411 /nfs/dbraw/zinc/39/94/11/565399411.db2.gz AFMXGMDLCSHDHZ-UHFFFAOYSA-N 1 0 386.338 2.590 20 0 GFADRO O=C(C1CC1)N1CCC([NH2+]C[C@H](O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000641858035 565400621 /nfs/dbraw/zinc/40/06/21/565400621.db2.gz FAFJQJSCVXXJHJ-AWEZNQCLSA-N 1 0 387.307 2.724 20 0 GFADRO [NH3+]C/C=C\CNC(=O)N1CCN(c2ccc(C(F)(F)F)cc2Cl)CC1 ZINC000641862778 565400668 /nfs/dbraw/zinc/40/06/68/565400668.db2.gz ROUJMPNTZAMNKQ-UPHRSURJSA-N 1 0 376.810 2.705 20 0 GFADRO CC[C@@H]1CN(C(=O)C[C@@H](NC(C)=O)c2ccc(Br)cc2)C[C@H](C)[NH2+]1 ZINC000620906564 565400999 /nfs/dbraw/zinc/40/09/99/565400999.db2.gz IEBZPHKUSKFZGH-JCURWCKSSA-N 1 0 396.329 2.615 20 0 GFADRO C[NH+](C)C[C@@H]1COC2(CCCC2)CN1C(=O)c1ccc(Br)c(O)c1 ZINC000620909378 565401119 /nfs/dbraw/zinc/40/11/19/565401119.db2.gz HTKJYKODGFAUQC-CQSZACIVSA-N 1 0 397.313 2.870 20 0 GFADRO CN(C)[C@@H](C[NH2+]C[C@H](O)COc1cccc(Br)c1)c1ccco1 ZINC000641938091 565401937 /nfs/dbraw/zinc/40/19/37/565401937.db2.gz KMFUIIQGWBDKNL-HOCLYGCPSA-N 1 0 383.286 2.674 20 0 GFADRO [NH3+]Cc1cn([C@H]2CCCN(c3ncc(Br)c4ccsc43)C2)nn1 ZINC000663241625 565402994 /nfs/dbraw/zinc/40/29/94/565402994.db2.gz JRCHVQZJINWQRF-NSHDSACASA-N 1 0 393.314 2.951 20 0 GFADRO C[C@H](NC(=O)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1)c1cc(F)c(Cl)cc1Cl ZINC000642096210 565405100 /nfs/dbraw/zinc/40/51/00/565405100.db2.gz QTMXCGUEFLMFDU-FEUHOPSXSA-N 1 0 388.270 2.520 20 0 GFADRO CC(C)[C@@H]1CN(C(=O)c2cn(Cc3ccc(Cl)cc3Cl)nn2)CC[NH2+]1 ZINC000621160250 565408584 /nfs/dbraw/zinc/40/85/84/565408584.db2.gz ATMKGYUFBKNUHW-HNNXBMFYSA-N 1 0 382.295 2.703 20 0 GFADRO O=C(c1ccc(-c2ccc(Br)cc2)s1)N1CCOC2(C[NH2+]C2)C1 ZINC000663486685 565422561 /nfs/dbraw/zinc/42/25/61/565422561.db2.gz PBNJKMCHKUHRJP-UHFFFAOYSA-N 1 0 393.306 2.992 20 0 GFADRO C[C@@]1(NC(=O)C(=O)Nc2cccc(Cl)c2SCC(F)F)CC[NH2+]C1 ZINC000663613065 565428861 /nfs/dbraw/zinc/42/88/61/565428861.db2.gz OKJHIUVZPFJXCN-OAHLLOKOSA-N 1 0 377.844 2.504 20 0 GFADRO O=C(N[C@@H]1CCc2cc(Br)ccc21)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000643484800 565433829 /nfs/dbraw/zinc/43/38/29/565433829.db2.gz URZATVPLEJNACF-DOTOQJQBSA-N 1 0 389.297 2.987 20 0 GFADRO C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000643486299 565434028 /nfs/dbraw/zinc/43/40/28/565434028.db2.gz MZWNLRZTVDBJGM-BFQNTYOBSA-N 1 0 384.307 2.723 20 0 GFADRO CCc1ccc([C@H]2C[NH2+]CCN2C(=O)c2cc(Br)c[nH]c2=O)cc1 ZINC000621656859 565434663 /nfs/dbraw/zinc/43/46/63/565434663.db2.gz YHYUFAWPCXHQPP-MRXNPFEDSA-N 1 0 390.281 2.899 20 0 GFADRO COC(=O)[C@@H]1C[C@H]1[C@@H](C)[NH2+]CCC(=O)N(C)Cc1ccccc1Br ZINC000594924389 565435947 /nfs/dbraw/zinc/43/59/47/565435947.db2.gz NKIUNXTZNNROPY-VHDGCEQUSA-N 1 0 397.313 2.585 20 0 GFADRO O=C1CCC[C@H](C[NH2+]Cc2cc(Cl)ccc2I)N1 ZINC000594937402 565435973 /nfs/dbraw/zinc/43/59/73/565435973.db2.gz IRHUMWRUOABPNR-LLVKDONJSA-N 1 0 378.641 2.703 20 0 GFADRO O=C(NCC(F)(F)c1ccc(Br)cc1)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000621671177 565436379 /nfs/dbraw/zinc/43/63/79/565436379.db2.gz JZOVRGMMYTUSOC-JTQLQIEISA-N 1 0 399.239 2.771 20 0 GFADRO [NH3+][C@]12CCC[C@H]1CN(C(=O)c1ccc(-n3cc(Br)cn3)cc1)C2 ZINC000621694794 565436906 /nfs/dbraw/zinc/43/69/06/565436906.db2.gz MEFZQXOESFREJB-GUYCJALGSA-N 1 0 375.270 2.588 20 0 GFADRO [NH3+][C@@]12CCC[C@H]1CN(C(=O)c1ccc(-n3cc(Br)cn3)cc1)C2 ZINC000621694795 565437431 /nfs/dbraw/zinc/43/74/31/565437431.db2.gz MEFZQXOESFREJB-SUMWQHHRSA-N 1 0 375.270 2.588 20 0 GFADRO COc1cc(C[NH2+][C@@H]2COC(C)(C)C2)cc(I)c1OC ZINC000594965162 565438713 /nfs/dbraw/zinc/43/87/13/565438713.db2.gz QTKSLGJUIGXEEV-NSHDSACASA-N 1 0 391.249 2.966 20 0 GFADRO C[C@H](CC[NH+](C)C)NC(=O)N1CCOC[C@H]1c1ccc(Br)cc1 ZINC000663850040 565439489 /nfs/dbraw/zinc/43/94/89/565439489.db2.gz QKZKJAOZCFBECV-CJNGLKHVSA-N 1 0 384.318 2.872 20 0 GFADRO C[C@H](CN[C@@H](c1ccc(Br)cc1)C(F)F)N1CC[NH+](C)CC1 ZINC000621752084 565440016 /nfs/dbraw/zinc/44/00/16/565440016.db2.gz UGBNOJJUTSOKDM-DOMZBBRYSA-N 1 0 376.289 2.981 20 0 GFADRO C[NH+](C)CCC[C@@H]1CN(C(=O)NCc2sccc2Br)CCO1 ZINC000663865582 565440556 /nfs/dbraw/zinc/44/05/56/565440556.db2.gz FYLBWGRIZMLUFH-GFCCVEGCSA-N 1 0 390.347 2.763 20 0 GFADRO [NH3+][C@@H]1CN(C(=O)Nc2ccc(Cl)cc2I)CC[C@H]1F ZINC000595234809 565456880 /nfs/dbraw/zinc/45/68/80/565456880.db2.gz FNRFDTVYTXAMCO-PSASIEDQSA-N 1 0 397.619 2.848 20 0 GFADRO C[C@@H]1COCCN1CC[NH2+][C@@H]1CCc2ccc(I)cc21 ZINC000595010273 565442607 /nfs/dbraw/zinc/44/26/07/565442607.db2.gz FZGLWQDRRAAFPD-MLGOLLRUSA-N 1 0 386.277 2.589 20 0 GFADRO OC[C@@H]([NH2+][C@@H]1CCc2ccc(I)cc21)C1CCOCC1 ZINC000595031808 565444975 /nfs/dbraw/zinc/44/49/75/565444975.db2.gz FNUYJLGLGYDUMK-HZPDHXFCSA-N 1 0 387.261 2.656 20 0 GFADRO O=C(C[NH2+][C@H]1CCCn2nccc21)Nc1ccc(I)cc1 ZINC000595037800 565444999 /nfs/dbraw/zinc/44/49/99/565444999.db2.gz CHZWCHMMEGCHEQ-ZDUSSCGKSA-N 1 0 396.232 2.551 20 0 GFADRO C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)c2cc(Br)c[nH]c2=O)C1 ZINC000621887798 565447496 /nfs/dbraw/zinc/44/74/96/565447496.db2.gz OLURNKOQDSSGOO-HNNXBMFYSA-N 1 0 390.281 2.896 20 0 GFADRO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)c2cc3c(cc2Br)OCO3)C1 ZINC000621896251 565447512 /nfs/dbraw/zinc/44/75/12/565447512.db2.gz RPSRBCAFPLIMGH-CYBMUJFWSA-N 1 0 395.297 2.982 20 0 GFADRO C[C@H]1CN(C(=O)c2cscc2C(F)(F)F)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000621936435 565449620 /nfs/dbraw/zinc/44/96/20/565449620.db2.gz FDJZCHFNAGEQOQ-WFASDCNBSA-N 1 0 375.460 2.865 20 0 GFADRO Cn1cc([C@@H]2CN(Cc3ccc(Br)c4cccnc34)C[C@H]2[NH3+])cn1 ZINC000643895533 565451114 /nfs/dbraw/zinc/45/11/14/565451114.db2.gz FDISIJLFSGJECV-DOTOQJQBSA-N 1 0 386.297 2.658 20 0 GFADRO C[C@@H](NC(=O)c1cc(Br)c[nH]c1=O)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000621948596 565451056 /nfs/dbraw/zinc/45/10/56/565451056.db2.gz DVEMNKUZEIFKKV-VXGBXAGGSA-N 1 0 382.302 2.933 20 0 GFADRO Brc1cnnc(N2CCO[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000664065576 565451455 /nfs/dbraw/zinc/45/14/55/565451455.db2.gz KKCQESPLUFOYEX-IAGOWNOFSA-N 1 0 389.297 2.719 20 0 GFADRO C[NH+](C)CC[C@](C)(O)CNC(=O)c1cc(-c2cccc(Br)c2)no1 ZINC000621959918 565451708 /nfs/dbraw/zinc/45/17/08/565451708.db2.gz IHODOECKBRBWQN-KRWDZBQOSA-N 1 0 396.285 2.537 20 0 GFADRO Brc1cccc(N2CC[C@@H](C[NH2+]C[C@H]3CNc4ccnn4C3)C2)c1 ZINC000595155447 565452387 /nfs/dbraw/zinc/45/23/87/565452387.db2.gz ZQRZYSHSECWZHJ-GJZGRUSLSA-N 1 0 390.329 2.803 20 0 GFADRO Brc1cnc(C2CC2)nc1N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000664080605 565452593 /nfs/dbraw/zinc/45/25/93/565452593.db2.gz YETXYISLLHYGBY-AWEZNQCLSA-N 1 0 381.318 2.808 20 0 GFADRO COCC[C@H](Cc1cccc(Br)c1)C(=O)NC1CC([NH+](C)C)C1 ZINC000622009664 565453995 /nfs/dbraw/zinc/45/39/95/565453995.db2.gz FUHXRGGLQQXBKL-ODIFPOPNSA-N 1 0 383.330 2.853 20 0 GFADRO C[C@@]1(C(=O)N2CCC(C(=O)Nc3ccc(Br)cc3)CC2)CCC[NH2+]1 ZINC000643985723 565454076 /nfs/dbraw/zinc/45/40/76/565454076.db2.gz SBLGRWIPIZSRPF-SFHVURJKSA-N 1 0 394.313 2.768 20 0 GFADRO O=C(C[NH2+]C[C@@H]1CCCO1)Nc1nnc(SCc2ccc(F)cc2)s1 ZINC000644017200 565455224 /nfs/dbraw/zinc/45/52/24/565455224.db2.gz KWBFBHNRAUOKJG-ZDUSSCGKSA-N 1 0 382.486 2.677 20 0 GFADRO [NH3+][C@]12CCC[C@@H]1CN(S(=O)(=O)c1cc(Cl)cc(Br)c1)C2 ZINC000622014557 565455384 /nfs/dbraw/zinc/45/53/84/565455384.db2.gz HLUUBOSETVCLKN-RNCFNFMXSA-N 1 0 379.707 2.604 20 0 GFADRO C[C@H]1CCCN(C(=O)c2ccc(-n3cc(Br)cn3)cc2)[C@@H]1C[NH3+] ZINC000644063695 565456559 /nfs/dbraw/zinc/45/65/59/565456559.db2.gz TZRFWWDEIAUDJZ-BLLLJJGKSA-N 1 0 377.286 2.834 20 0 GFADRO Cn1cc([C@@H]2CN(C(=O)Nc3ccc(Br)cc3Cl)C[C@H]2[NH3+])cn1 ZINC000644183081 565462286 /nfs/dbraw/zinc/46/22/86/565462286.db2.gz ATGWSKDZYRNYKP-WCQYABFASA-N 1 0 398.692 2.795 20 0 GFADRO C[C@H](C[NH+]1CCC(C)CC1)Nc1ccc(S(N)(=O)=O)cc1C(F)(F)F ZINC000664457039 565463466 /nfs/dbraw/zinc/46/34/66/565463466.db2.gz OMFWNAZAROCYQZ-GFCCVEGCSA-N 1 0 379.448 2.885 20 0 GFADRO O=C(NC[C@@H]1CCC[N@H+](CC2CC2)C1)C(=O)Nc1cccc(Br)c1 ZINC000664675289 565472857 /nfs/dbraw/zinc/47/28/57/565472857.db2.gz RFRYZQKXOUVVSE-AWEZNQCLSA-N 1 0 394.313 2.626 20 0 GFADRO O=C(COc1cc(Cl)c(Cl)cc1Cl)NC[C@@H]1CCCC[N@H+]1CCO ZINC000622629789 565473379 /nfs/dbraw/zinc/47/33/79/565473379.db2.gz BOTMOPHVZBGNKP-NSHDSACASA-N 1 0 395.714 2.989 20 0 GFADRO NC(=O)c1cccc(CC[NH2+]C[C@H](O)COc2ccc(Cl)c(Cl)c2)c1 ZINC000644539484 565480585 /nfs/dbraw/zinc/48/05/85/565480585.db2.gz QMRDPHCWIOHGEL-AWEZNQCLSA-N 1 0 383.275 2.664 20 0 GFADRO O[C@@H](C[NH2+][C@@H]1CCN(c2ccccn2)C1)COc1cc(Cl)ccc1Cl ZINC000644608478 565484292 /nfs/dbraw/zinc/48/42/92/565484292.db2.gz PZEGZZOVOGFCHT-CABCVRRESA-N 1 0 382.291 2.997 20 0 GFADRO CN(CC1C[NH+](C)C1)C(=O)NCCc1c[nH]c2cccc(Br)c12 ZINC000664919892 565484579 /nfs/dbraw/zinc/48/45/79/565484579.db2.gz KEGPYQIGIGWUEI-UHFFFAOYSA-N 1 0 379.302 2.676 20 0 GFADRO CC(C)(C)c1ccc(S(=O)(=O)CC[NH2+]CCC(C)(C)S(C)(=O)=O)cc1 ZINC000644670061 565488978 /nfs/dbraw/zinc/48/89/78/565488978.db2.gz LIYRNYFLYLUPDY-UHFFFAOYSA-N 1 0 389.583 2.561 20 0 GFADRO COc1c(Br)ccc(C)c1C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000644675735 565489167 /nfs/dbraw/zinc/48/91/67/565489167.db2.gz JITXXMRLUSSODG-CQSZACIVSA-N 1 0 397.313 2.749 20 0 GFADRO O=C(Nc1cccc(C[N@H+]2CC[C@@H](O)C2)c1)c1ccc(Br)c([O-])c1 ZINC000644693710 565489437 /nfs/dbraw/zinc/48/94/37/565489437.db2.gz FVJHBORYAKSAQY-OAHLLOKOSA-N 1 0 391.265 2.974 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)CCC[N@@H+]1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000644715113 565491165 /nfs/dbraw/zinc/49/11/65/565491165.db2.gz LCXXCUDYWIOMIA-ZSHCYNCHSA-N 1 0 381.314 2.955 20 0 GFADRO CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)c2nc(C3CC3)ncc2Br)CC1 ZINC000623070262 565492620 /nfs/dbraw/zinc/49/26/20/565492620.db2.gz DARLBGIJLMZTPF-OAHLLOKOSA-N 1 0 393.329 2.967 20 0 GFADRO CC(C)[C@H]([NH3+])CCN[C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000665281520 565494433 /nfs/dbraw/zinc/49/44/33/565494433.db2.gz FSDLEWKXMHMCNT-KGLIPLIRSA-N 1 0 375.332 2.631 20 0 GFADRO C[N@@H+]1C[C@H]2CCN(Cc3ncc(Br)cc3Br)[C@@H]2C1 ZINC000644841144 565497320 /nfs/dbraw/zinc/49/73/20/565497320.db2.gz NNCSEFIQYHQGBX-NOZJJQNGSA-N 1 0 375.108 2.743 20 0 GFADRO Cc1ccc(NC(=O)c2cn[nH]c2[C@H]2CC[NH2+]C2)cc1I ZINC000595917891 565498477 /nfs/dbraw/zinc/49/84/77/565498477.db2.gz PGBZIEQPCKVSBY-JTQLQIEISA-N 1 0 396.232 2.652 20 0 GFADRO CCOC(=O)c1sc([C@@H](C)NC(=O)c2cc3c(s2)CC[NH2+]C3)nc1C ZINC000595930080 565498827 /nfs/dbraw/zinc/49/88/27/565498827.db2.gz NSZMXVIASLSAMH-SNVBAGLBSA-N 1 0 379.507 2.826 20 0 GFADRO Cc1ccc(I)cc1NC(=O)c1cn[nH]c1[C@H]1CC[NH2+]C1 ZINC000595955486 565502709 /nfs/dbraw/zinc/50/27/09/565502709.db2.gz AGLFGZAKRDOMAA-JTQLQIEISA-N 1 0 396.232 2.652 20 0 GFADRO CC(C)[NH+]1CCC(NC(=O)c2cc(Br)cc3c2OCCO3)CC1 ZINC000665509013 565502801 /nfs/dbraw/zinc/50/28/01/565502801.db2.gz UFGMMUYZIRWRGO-UHFFFAOYSA-N 1 0 383.286 2.823 20 0 GFADRO O=C(Nc1ccc(F)cc1Br)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000665598472 565504875 /nfs/dbraw/zinc/50/48/75/565504875.db2.gz GGHRZWVMCLJSSB-CYBMUJFWSA-N 1 0 386.265 2.651 20 0 GFADRO Clc1cc(Cl)c(OCCN2CCOCC2)c(C[NH2+]C[C@@H]2CCOC2)c1 ZINC000623356390 565505952 /nfs/dbraw/zinc/50/59/52/565505952.db2.gz MMXLUNFILKGEOD-AWEZNQCLSA-N 1 0 389.323 2.831 20 0 GFADRO NC(=O)c1ccccc1N1CC[C@@H]([NH2+]Cc2ccsc2Br)C1 ZINC000623415550 565509903 /nfs/dbraw/zinc/50/99/03/565509903.db2.gz OXXAHMREQVWYMW-GFCCVEGCSA-N 1 0 380.311 2.978 20 0 GFADRO COc1ccc(Br)c(NC(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)c1 ZINC000665920155 565515142 /nfs/dbraw/zinc/51/51/42/565515142.db2.gz BUYKNKKZSOLDAC-CYBMUJFWSA-N 1 0 398.301 2.521 20 0 GFADRO C[C@H]([NH2+]C[C@@H](O)COC[C@@H]1CCCO1)c1ccc(F)c(Br)c1 ZINC000645194079 565516335 /nfs/dbraw/zinc/51/63/35/565516335.db2.gz GBKMKNJGLICPEA-YUTCNCBUSA-N 1 0 376.266 2.795 20 0 GFADRO C[C@@H](C[NH+](C)C)NCc1cc(Cl)cc(Cl)c1OCCN1CCOCC1 ZINC000623524787 565516843 /nfs/dbraw/zinc/51/68/43/565516843.db2.gz ISCNGAOGCRLIRB-AWEZNQCLSA-N 1 0 390.355 2.744 20 0 GFADRO C[C@@]([NH3+])(C(=O)NCCc1ccc2c(c1)OCO2)c1ccc(Br)cc1 ZINC000645219828 565517964 /nfs/dbraw/zinc/51/79/64/565517964.db2.gz WMGDTNLZDJFEGV-SFHVURJKSA-N 1 0 391.265 2.711 20 0 GFADRO CCCC[N@H+](C)CCNC(=O)NCc1cc(OC)c(O)cc1Br ZINC000645284770 565520405 /nfs/dbraw/zinc/52/04/05/565520405.db2.gz BODHPMJJGGNBFF-UHFFFAOYSA-N 1 0 388.306 2.694 20 0 GFADRO Cc1ccc(Br)c(C)c1C(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000645325809 565521647 /nfs/dbraw/zinc/52/16/47/565521647.db2.gz IBNLQMOZJIUQMC-HZPDHXFCSA-N 1 0 381.314 2.737 20 0 GFADRO COc1cc(C(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)ccc1Br ZINC000623638376 565522037 /nfs/dbraw/zinc/52/20/37/565522037.db2.gz CGNLOBMODRMMLA-STQMWFEESA-N 1 0 385.302 2.687 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH2+]C[C@@H]1COCCN1C ZINC000623710524 565526495 /nfs/dbraw/zinc/52/64/95/565526495.db2.gz FWFJZQBSJJCQAT-QGZVFWFLSA-N 1 0 393.329 2.672 20 0 GFADRO NS(=O)(=O)c1ccsc1C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000666301376 565530091 /nfs/dbraw/zinc/53/00/91/565530091.db2.gz NMKLOHGDWOZRDR-UHFFFAOYSA-N 1 0 379.507 2.634 20 0 GFADRO Fc1c(Br)cccc1C[NH2+]C[C@H]1CN(Cc2ccncc2)CCO1 ZINC000623782549 565530730 /nfs/dbraw/zinc/53/07/30/565530730.db2.gz WDPACWJVTWOPOX-INIZCTEOSA-N 1 0 394.288 2.974 20 0 GFADRO Brc1cccc(C[NH2+]C[C@H]2CN(Cc3ccncc3)CCO2)c1 ZINC000623780819 565530864 /nfs/dbraw/zinc/53/08/64/565530864.db2.gz YIGICMJKGZSLMH-SFHVURJKSA-N 1 0 376.298 2.835 20 0 GFADRO CCS(=O)(=O)NCCC[NH2+][C@H](C)c1cc(F)c(Br)cc1F ZINC000623881695 565534237 /nfs/dbraw/zinc/53/42/37/565534237.db2.gz XFCIFFFYUVLOGZ-SECBINFHSA-N 1 0 385.274 2.707 20 0 GFADRO O=S(=O)(c1ncccc1C(F)(F)F)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000645553377 565537220 /nfs/dbraw/zinc/53/72/20/565537220.db2.gz AGDNAAUYFSWTQP-ZDUSSCGKSA-N 1 0 377.432 2.739 20 0 GFADRO C[C@H]1CCCC[N@@H+]1CCNC(=O)[C@@H]1CCO[C@H]1c1cncc(Br)c1 ZINC000666428223 565538147 /nfs/dbraw/zinc/53/81/47/565538147.db2.gz LAKVRMCVIRHOGV-XKQJLSEDSA-N 1 0 396.329 2.912 20 0 GFADRO CC[C@@H](CO)[NH+]1CCN(c2nccc(-c3ccc(Br)cc3)n2)CC1 ZINC000624004572 565538885 /nfs/dbraw/zinc/53/88/85/565538885.db2.gz LHZGNRWFRMTBQG-INIZCTEOSA-N 1 0 391.313 2.799 20 0 GFADRO C[C@@H]([NH2+]C[C@@]1(OCCO)CCOC1)c1cc(F)c(Br)cc1F ZINC000624012033 565538960 /nfs/dbraw/zinc/53/89/60/565538960.db2.gz PZCAIAPQDSXMKC-BMIGLBTASA-N 1 0 380.229 2.546 20 0 GFADRO CC(C)CC[C@H](CO)[NH2+][C@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000624111132 565542744 /nfs/dbraw/zinc/54/27/44/565542744.db2.gz OCPDMBFPGGKPNT-DGCLKSJQSA-N 1 0 393.347 2.544 20 0 GFADRO COc1ncc(Br)cc1CNC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000624134450 565543525 /nfs/dbraw/zinc/54/35/25/565543525.db2.gz VGXALYKRIBYENA-INIZCTEOSA-N 1 0 384.318 2.586 20 0 GFADRO CCOC(=O)C[C@@H](NC(=O)NC[C@@H](c1cccs1)[NH+](C)C)C(F)(F)F ZINC000597007937 565545022 /nfs/dbraw/zinc/54/50/22/565545022.db2.gz BLFPXZOJVHCMBK-CMPLNLGQSA-N 1 0 381.420 2.534 20 0 GFADRO CC(C)[NH+]1CCN(C(=O)Nc2ccc(I)cc2F)CC1 ZINC000597019302 565546425 /nfs/dbraw/zinc/54/64/25/565546425.db2.gz XTVARRDNBYPCOH-UHFFFAOYSA-N 1 0 391.228 2.988 20 0 GFADRO O=C(Nc1nc(-c2ccsc2)ns1)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000666683356 565547652 /nfs/dbraw/zinc/54/76/52/565547652.db2.gz VABHSJMLJGKNHY-CYBMUJFWSA-N 1 0 379.511 2.641 20 0 GFADRO C[C@H]([NH3+])[C@H]1CN(C(=O)Nc2ncc(Cc3ccccc3Cl)s2)CCO1 ZINC000666684403 565548150 /nfs/dbraw/zinc/54/81/50/565548150.db2.gz KJFQVKYKMOFTOR-XHDPSFHLSA-N 1 0 380.901 2.967 20 0 GFADRO C[C@H](CCNC(=O)Nc1ccc(I)cc1F)[NH+](C)C ZINC000597023394 565548200 /nfs/dbraw/zinc/54/82/00/565548200.db2.gz UPGFVVKCOOYONF-SECBINFHSA-N 1 0 379.217 2.892 20 0 GFADRO C[N@@H+]1CC[C@@H](CNC(=O)Cc2ccc(Br)c(Br)c2)C1 ZINC000666911447 565562162 /nfs/dbraw/zinc/56/21/62/565562162.db2.gz VHVPTUZGAZSINK-NSHDSACASA-N 1 0 390.119 2.822 20 0 GFADRO C[C@H](CCNC(=O)Nc1cn(C)cc(Br)c1=O)[NH+]1CCCCC1 ZINC000666695166 565550886 /nfs/dbraw/zinc/55/08/86/565550886.db2.gz QJMSVKZNPAIOGT-GFCCVEGCSA-N 1 0 385.306 2.534 20 0 GFADRO Cc1cc(Br)c(F)cc1S(=O)(=O)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000624376776 565553728 /nfs/dbraw/zinc/55/37/28/565553728.db2.gz ZTJAUIZWYRLNNO-LLVKDONJSA-N 1 0 391.306 2.850 20 0 GFADRO CC[C@@H]1[NH2+]CC[C@H]1NS(=O)(=O)Cc1ccc(Br)cc1Cl ZINC000624394965 565555857 /nfs/dbraw/zinc/55/58/57/565555857.db2.gz ZNHIBJLUJSCOLS-QWHCGFSZSA-N 1 0 381.723 2.662 20 0 GFADRO CN(CCC[NH+](C)C)CCNC(=O)Nc1cc(Br)c(F)cc1F ZINC000666843287 565560152 /nfs/dbraw/zinc/56/01/52/565560152.db2.gz CLYZJJINTNVCIJ-UHFFFAOYSA-N 1 0 393.276 2.732 20 0 GFADRO CCC[N@@H+]1CC[C@@H](NC(=O)NC(C)(C)COc2ncccc2Br)C1 ZINC000666923704 565563900 /nfs/dbraw/zinc/56/39/00/565563900.db2.gz QCPSTKQYLZGTMG-CYBMUJFWSA-N 1 0 399.333 2.785 20 0 GFADRO COc1ncc(Br)cc1CNC(=O)NCC[NH+](C(C)C)C(C)C ZINC000624633098 565568915 /nfs/dbraw/zinc/56/89/15/565568915.db2.gz AGLDAQGTASYADW-UHFFFAOYSA-N 1 0 387.322 2.771 20 0 GFADRO O=C(Nc1cc(Br)ccc1-n1cccn1)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000667088232 565569310 /nfs/dbraw/zinc/56/93/10/565569310.db2.gz YMPIPQMMJJCRNV-DOMZBBRYSA-N 1 0 390.285 2.851 20 0 GFADRO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)Nc1cc(Br)ccc1-n1cccn1 ZINC000667088171 565569598 /nfs/dbraw/zinc/56/95/98/565569598.db2.gz GQWBHLSOBRKGBU-STQMWFEESA-N 1 0 396.264 2.799 20 0 GFADRO COC[C@@H](OC)C(=O)N(CCC[NH+](C)C)Cc1ccc(Cl)c(Cl)c1 ZINC000667155811 565573844 /nfs/dbraw/zinc/57/38/44/565573844.db2.gz UNQJPXHDQURYEU-MRXNPFEDSA-N 1 0 377.312 2.935 20 0 GFADRO Cc1nnc(CC(=O)N(CCC[NH+](C)C)Cc2ccc(Cl)c(Cl)c2)[nH]1 ZINC000667155575 565573912 /nfs/dbraw/zinc/57/39/12/565573912.db2.gz MJVPGURXLYMRPB-UHFFFAOYSA-N 1 0 384.311 2.943 20 0 GFADRO Cc1cc(Br)c(F)cc1S(=O)(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000624854413 565579354 /nfs/dbraw/zinc/57/93/54/565579354.db2.gz YSQMSQCQWIIMLB-NSHDSACASA-N 1 0 391.306 2.659 20 0 GFADRO CCN(C(=O)c1scc(C)c1I)[C@H]1CC[N@H+](C)C1 ZINC000597944507 565583507 /nfs/dbraw/zinc/58/35/07/565583507.db2.gz DMOQHLBMQVNMHS-JTQLQIEISA-N 1 0 378.279 2.827 20 0 GFADRO CN(Cc1ccccc1)C(=O)C[NH+]1CCC(n2cc(Br)cn2)CC1 ZINC000597995803 565587016 /nfs/dbraw/zinc/58/70/16/565587016.db2.gz TUBDABXDOCLZTB-UHFFFAOYSA-N 1 0 391.313 2.941 20 0 GFADRO CCN(C(=O)Cc1ccccc1I)[C@H]1CC[N@H+](CC)C1 ZINC000598040286 565589949 /nfs/dbraw/zinc/58/99/49/565589949.db2.gz OISCOEXKYQGDQW-AWEZNQCLSA-N 1 0 386.277 2.776 20 0 GFADRO Cc1c(F)c(Br)ccc1NC(=O)NC[C@H]1CCCC[N@@H+]1CCO ZINC000667504437 565590949 /nfs/dbraw/zinc/59/09/49/565590949.db2.gz SHHFSWAMOCTXOU-GFCCVEGCSA-N 1 0 388.281 2.865 20 0 GFADRO CS(=O)(=O)N[C@H]1CCCN(Cc2cc3cc(Br)ccc3o2)C1 ZINC000667504431 565591533 /nfs/dbraw/zinc/59/15/33/565591533.db2.gz RUFUATJHPGMTKB-ZDUSSCGKSA-N 1 0 387.299 2.709 20 0 GFADRO CC[C@@H]1CN(C(=O)Nc2ccnn2-c2ccc(Br)cn2)CC[C@H]1[NH3+] ZINC000667517600 565592228 /nfs/dbraw/zinc/59/22/28/565592228.db2.gz WNXQUYSWTSNJJN-DGCLKSJQSA-N 1 0 393.289 2.621 20 0 GFADRO O=C(NCCOCc1ccc(Cl)cc1Cl)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000646293730 565594614 /nfs/dbraw/zinc/59/46/14/565594614.db2.gz CHAROMWKBGLMBK-NSHDSACASA-N 1 0 383.279 2.740 20 0 GFADRO CC[C@H]1CN(C(=O)C(=O)Nc2cccc(Br)c2Cl)CC[C@@H]1[NH3+] ZINC000667548305 565594714 /nfs/dbraw/zinc/59/47/14/565594714.db2.gz LFKVWJLGMCGIQY-ONGXEEELSA-N 1 0 388.693 2.627 20 0 GFADRO CC[C@H]1CN(C(=O)C(=O)Nc2c(C)cc(Br)cc2C)CC[C@@H]1[NH3+] ZINC000667548513 565594746 /nfs/dbraw/zinc/59/47/46/565594746.db2.gz OSJQIRREQPFWLL-JSGCOSHPSA-N 1 0 382.302 2.590 20 0 GFADRO Cc1sc2nc(C)nc(SCC(=O)N3CC[C@H]4CC[NH2+][C@@H]4C3)c2c1C ZINC000646345240 565599017 /nfs/dbraw/zinc/59/90/17/565599017.db2.gz OQWWXANRHLZTFK-ZIAGYGMSSA-N 1 0 376.551 2.919 20 0 GFADRO COC(=O)[C@@H](NC(=O)CC1CC[NH+](C)CC1)c1ccccc1Br ZINC000598187873 565599925 /nfs/dbraw/zinc/59/99/25/565599925.db2.gz XUAMWXFNGGQBIM-INIZCTEOSA-N 1 0 383.286 2.511 20 0 GFADRO CC[NH+](CC)CCN(C(=O)[C@H](COC)OC)c1cccc(Br)c1 ZINC000667688540 565601980 /nfs/dbraw/zinc/60/19/80/565601980.db2.gz WIQHEFBDYQIYBM-INIZCTEOSA-N 1 0 387.318 2.785 20 0 GFADRO C[N@@H+]1CCC[C@H]1[C@H]1COCCN1C(=O)CCc1cc(Br)cs1 ZINC000646444414 565603284 /nfs/dbraw/zinc/60/32/84/565603284.db2.gz MESBDUPRUNLNPR-LSDHHAIUSA-N 1 0 387.343 2.765 20 0 GFADRO C[C@H](Cc1ccc(Br)cc1)C(=O)N1CCOC[C@@H]1[C@@H]1CCC[N@@H+]1C ZINC000646454215 565603639 /nfs/dbraw/zinc/60/36/39/565603639.db2.gz BGURPLSRAOIPQY-FHLIZLRMSA-N 1 0 395.341 2.949 20 0 GFADRO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)c1ccc(I)cn1 ZINC000598261489 565605868 /nfs/dbraw/zinc/60/58/68/565605868.db2.gz FUTVLYGZDKFTSJ-LBPRGKRZSA-N 1 0 387.265 2.536 20 0 GFADRO O=C(NC[C@@H]1CCCC[NH2+]1)[C@@H](c1ccc(Cl)cc1Cl)N1CCOCC1 ZINC000646649372 565612109 /nfs/dbraw/zinc/61/21/09/565612109.db2.gz BUYUFFSYRZCTRF-WMLDXEAASA-N 1 0 386.323 2.625 20 0 GFADRO C[NH+](C)CCN1CCC(NC(=O)Nc2cccc(Br)c2F)CC1 ZINC000667925366 565615237 /nfs/dbraw/zinc/61/52/37/565615237.db2.gz ULNNRXCMOQAOPM-UHFFFAOYSA-N 1 0 387.297 2.736 20 0 GFADRO CC(C)[C@H](C(=O)Nc1nc2cc(I)ccc2[nH]1)[NH+](C)C ZINC000598426127 565616093 /nfs/dbraw/zinc/61/60/93/565616093.db2.gz YCAPGYOWYLTUSB-GFCCVEGCSA-N 1 0 386.237 2.692 20 0 GFADRO COc1cc(Br)c(CNC(=O)[C@H]2CCc3nc[nH]c3C2)cc1OC ZINC000668001467 565617386 /nfs/dbraw/zinc/61/73/86/565617386.db2.gz QUNLCZQBGSNGMK-JTQLQIEISA-N 1 0 394.269 2.611 20 0 GFADRO O=C(CNC(=O)c1ccc(Br)cc1)NCC[NH2+]C1CCCCCC1 ZINC000646785260 565619473 /nfs/dbraw/zinc/61/94/73/565619473.db2.gz WQJFHELBRBSJSB-UHFFFAOYSA-N 1 0 396.329 2.608 20 0 GFADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc(Br)cc2[nH]c(=O)[nH]c21 ZINC000646899615 565625183 /nfs/dbraw/zinc/62/51/83/565625183.db2.gz KHROZCGJECLBSV-NEPJUHHUSA-N 1 0 393.285 2.730 20 0 GFADRO Cc1c(Br)c2ccccc2n1CC(=O)N1CC[C@@H]2C[N@@H+](C)C[C@@H]21 ZINC000646917889 565625453 /nfs/dbraw/zinc/62/54/53/565625453.db2.gz JLNYGBROTIEWGW-CJNGLKHVSA-N 1 0 376.298 2.875 20 0 GFADRO COc1cc(CN2C[C@@H](SC)[C@H]([NH+]3CCCC3)C2)c(Br)cn1 ZINC000598602999 565628884 /nfs/dbraw/zinc/62/88/84/565628884.db2.gz DVMXGCSLMHRUGO-HUUCEWRRSA-N 1 0 386.359 2.864 20 0 GFADRO Cc1c(C(=O)N2CCC(C)([NH3+])CC2)cnn1-c1cccc(Br)c1 ZINC000646991707 565630866 /nfs/dbraw/zinc/63/08/66/565630866.db2.gz KWOWYVSPZTYSMV-UHFFFAOYSA-N 1 0 377.286 2.897 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C(=O)N1CCC(C)([NH3+])CC1 ZINC000646990791 565631102 /nfs/dbraw/zinc/63/11/02/565631102.db2.gz BGKROOVINNJQTH-UHFFFAOYSA-N 1 0 377.286 2.897 20 0 GFADRO O=C(CC[C@H]1CCC[NH2+]C1)NCCc1ccc(I)s1 ZINC000598665147 565632989 /nfs/dbraw/zinc/63/29/89/565632989.db2.gz SPIRRDYWSCWPLY-LLVKDONJSA-N 1 0 392.306 2.791 20 0 GFADRO COc1ccc(Br)cc1C[C@H](CO)C[NH2+][C@H]1CO[C@@H](C2CC2)C1 ZINC000668225386 565634009 /nfs/dbraw/zinc/63/40/09/565634009.db2.gz LJYDBQFEPHMRLD-BJOOFOGMSA-N 1 0 384.314 2.766 20 0 GFADRO COCCN(CCOC)C(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000625535936 565636283 /nfs/dbraw/zinc/63/62/83/565636283.db2.gz XQWAYDXEWNDYKB-MRXNPFEDSA-N 1 0 392.327 2.901 20 0 GFADRO CCN1CC[NH+](CCCCNC(=O)Cc2cccc(C)c2Br)CC1 ZINC000625555529 565639031 /nfs/dbraw/zinc/63/90/31/565639031.db2.gz UMCNJMLPTVTRHJ-UHFFFAOYSA-N 1 0 396.373 2.834 20 0 GFADRO O=C1[C@H](c2nc([C@H]3CCC[NH2+]3)no2)CCN1c1cccc(Br)c1 ZINC000647152391 565641874 /nfs/dbraw/zinc/64/18/74/565641874.db2.gz DDZYVMIEMXRSPM-QWHCGFSZSA-N 1 0 377.242 2.777 20 0 GFADRO C[NH2+]C[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Br)cc2Cl)C1 ZINC000647182132 565643964 /nfs/dbraw/zinc/64/39/64/565643964.db2.gz JSXUGHOTIRDIMA-NSHDSACASA-N 1 0 395.750 2.864 20 0 GFADRO COc1ccccc1[C@H]([NH3+])CNS(=O)(=O)c1cccc(Br)c1C ZINC000647187449 565644014 /nfs/dbraw/zinc/64/40/14/565644014.db2.gz NUKPPOLAHREELJ-CQSZACIVSA-N 1 0 399.310 2.744 20 0 GFADRO C[C@H]([NH3+])C1CCN(S(=O)(=O)Cc2cc(Cl)ccc2Br)CC1 ZINC000647211173 565645403 /nfs/dbraw/zinc/64/54/03/565645403.db2.gz YCBHAPRGOOIRHB-JTQLQIEISA-N 1 0 395.750 2.992 20 0 GFADRO O=S1(=O)CCC[C@H](C[NH2+]Cc2cc(OC(F)F)ccc2Br)C1 ZINC000647211110 565646337 /nfs/dbraw/zinc/64/63/37/565646337.db2.gz TVLNXYMCODVYNS-SNVBAGLBSA-N 1 0 398.269 2.965 20 0 GFADRO CC1(C)C[NH2+]CCN1S(=O)(=O)c1ccc2ccccc2c1Br ZINC000647228681 565647382 /nfs/dbraw/zinc/64/73/82/565647382.db2.gz LQZGEOVYIAKXGM-UHFFFAOYSA-N 1 0 383.311 2.975 20 0 GFADRO O=S(=O)(Cc1ccc(Br)cc1Cl)NCC[C@@H]1CC[NH2+]C1 ZINC000647214713 565647465 /nfs/dbraw/zinc/64/74/65/565647465.db2.gz NVCDTKUUNLJTBB-JTQLQIEISA-N 1 0 381.723 2.522 20 0 GFADRO O=S(=O)(Cc1ccc(Br)cc1)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647237553 565648067 /nfs/dbraw/zinc/64/80/67/565648067.db2.gz DSPMRUNKABDALK-GOEBONIOSA-N 1 0 387.343 2.743 20 0 GFADRO O=S(=O)(c1ccc(C(F)(F)F)c(F)c1)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647238893 565648658 /nfs/dbraw/zinc/64/86/58/565648658.db2.gz XRYVTHNLVCJALX-NHYWBVRUSA-N 1 0 380.407 2.997 20 0 GFADRO [NH3+][C@@H]1CCC[C@H]2CN(S(=O)(=O)c3cc(Cl)ccc3OC(F)F)C[C@H]21 ZINC000647267296 565650773 /nfs/dbraw/zinc/65/07/73/565650773.db2.gz WRVZUDPCTWAJAI-MVWJERBFSA-N 1 0 380.844 2.689 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H]2CN(S(=O)(=O)c3cc(Cl)ccc3OC(F)F)C[C@@H]21 ZINC000647267295 565651029 /nfs/dbraw/zinc/65/10/29/565651029.db2.gz WRVZUDPCTWAJAI-ADEWGFFLSA-N 1 0 380.844 2.689 20 0 GFADRO COC(=O)c1cn(CC[NH2+]Cc2cc(Cl)c(OC(C)C)cc2Cl)nn1 ZINC000598979153 565651926 /nfs/dbraw/zinc/65/19/26/565651926.db2.gz KLDVZXXDXOCGLR-UHFFFAOYSA-N 1 0 387.267 2.949 20 0 GFADRO CC[C@@H]1CN(S(=O)(=O)c2cc(Br)c(C)cc2OC)CC[C@@H]1[NH3+] ZINC000647269711 565651951 /nfs/dbraw/zinc/65/19/51/565651951.db2.gz YKZDBSLUMQIYTF-YPMHNXCESA-N 1 0 391.331 2.514 20 0 GFADRO CO[C@@H](CS(=O)(=O)Nc1ccc(C[NH+]2CCSCC2)cc1C)C(C)C ZINC000647271315 565652606 /nfs/dbraw/zinc/65/26/06/565652606.db2.gz XOFRUCHECQWORF-SFHVURJKSA-N 1 0 386.583 2.957 20 0 GFADRO COc1cc(C[N@H+](C)C[C@@H]2COCCO2)cc(Br)c1OC(F)F ZINC000668541330 565654051 /nfs/dbraw/zinc/65/40/51/565654051.db2.gz FAGJGBOVGNQNRQ-LLVKDONJSA-N 1 0 396.228 2.906 20 0 GFADRO O=S(=O)(Cc1ccc(Cl)cc1Br)NCC[C@H]1CCC[NH2+]1 ZINC000647285229 565654647 /nfs/dbraw/zinc/65/46/47/565654647.db2.gz SJMAQGWOXIIGSC-GFCCVEGCSA-N 1 0 381.723 2.664 20 0 GFADRO CN(C)S(=O)(=O)CC[N@@H+]1CC[C@@H](Sc2ccc(Br)cc2)C1 ZINC000625702010 565655305 /nfs/dbraw/zinc/65/53/05/565655305.db2.gz RQCUMTCUGFCYMC-CQSZACIVSA-N 1 0 393.372 2.507 20 0 GFADRO COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+][C@@H]1CC[C@H](C)S(=O)(=O)C1 ZINC000668561729 565655313 /nfs/dbraw/zinc/65/53/13/565655313.db2.gz REDLPWRURYVURL-SGMGOOAPSA-N 1 0 388.917 2.621 20 0 GFADRO Cc1cc(Br)ccc1S(=O)(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000647300377 565655495 /nfs/dbraw/zinc/65/54/95/565655495.db2.gz LMFHAELBODWYLB-CQSZACIVSA-N 1 0 387.343 2.768 20 0 GFADRO C[C@@H]1NC(=O)N(CC[N@@H+]2CC[C@H](Sc3ccc(Br)cc3)C2)C1=O ZINC000625701143 565655445 /nfs/dbraw/zinc/65/54/45/565655445.db2.gz NMJISGPAJVETHO-FZMZJTMJSA-N 1 0 398.326 2.556 20 0 GFADRO COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+][C@H]1CC[C@H](C)S(=O)(=O)C1 ZINC000668561726 565655908 /nfs/dbraw/zinc/65/59/08/565655908.db2.gz REDLPWRURYVURL-OBJOEFQTSA-N 1 0 388.917 2.621 20 0 GFADRO C[C@@H]([NH2+]C[C@@H](C)CC(F)F)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000647318173 565656249 /nfs/dbraw/zinc/65/62/49/565656249.db2.gz HXYBDMAWEGMWFQ-UONOGXRCSA-N 1 0 376.469 2.649 20 0 GFADRO C[C@@H](CCC[NH3+])NS(=O)(=O)c1cc(Br)cc(C(F)(F)F)c1 ZINC000647311723 565656447 /nfs/dbraw/zinc/65/64/47/565656447.db2.gz ICCFNVOECFELGN-QMMMGPOBSA-N 1 0 389.237 2.874 20 0 GFADRO CCOc1ccc(Br)cc1S(=O)(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000647321397 565656595 /nfs/dbraw/zinc/65/65/95/565656595.db2.gz NGDAYQTWCDTQEP-ZDUSSCGKSA-N 1 0 391.331 2.658 20 0 GFADRO Cc1cc(Br)cc(C(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)c1C ZINC000668639637 565658583 /nfs/dbraw/zinc/65/85/83/565658583.db2.gz KARLTMZRRZASIX-MRXNPFEDSA-N 1 0 394.357 2.964 20 0 GFADRO CCC(C)(C)NC(=O)C[NH2+][C@]1(CO)CCc2cc(Br)ccc2C1 ZINC000625794309 565658859 /nfs/dbraw/zinc/65/88/59/565658859.db2.gz GKQSBAJPJIEWQQ-GOSISDBHSA-N 1 0 383.330 2.563 20 0 GFADRO C[C@@H]1CCCN(C(=O)C[NH2+][C@]2(CO)CCc3cc(Br)ccc3C2)C1 ZINC000625794432 565659425 /nfs/dbraw/zinc/65/94/25/565659425.db2.gz JGQPQKCNEGSWOP-AUUYWEPGSA-N 1 0 395.341 2.517 20 0 GFADRO O=C(CC[NH2+][C@@]1(CO)CCc2cc(Br)ccc2C1)NC1CCCC1 ZINC000625793971 565659617 /nfs/dbraw/zinc/65/96/17/565659617.db2.gz AQQCQZKYNMGHGE-IBGZPJMESA-N 1 0 395.341 2.707 20 0 GFADRO CCc1nnc(C[NH2+][C@@]2(CO)CCc3cc(Br)ccc3C2)s1 ZINC000625797783 565660598 /nfs/dbraw/zinc/66/05/98/565660598.db2.gz ZLGFVMOUBCJESL-INIZCTEOSA-N 1 0 382.327 2.873 20 0 GFADRO CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@H]2CCSc3ccc(Cl)cc32)C1 ZINC000668706963 565662425 /nfs/dbraw/zinc/66/24/25/565662425.db2.gz AAVXXQHDEIVWIS-ZFWWWQNUSA-N 1 0 381.929 2.594 20 0 GFADRO C[C@@H]1CC[C@@H](NC(=O)Nc2cc(Br)ccc2N2CCOCC2)C[NH2+]1 ZINC000625848871 565662448 /nfs/dbraw/zinc/66/24/48/565662448.db2.gz LZQRWGKAYPZEJI-TZMCWYRMSA-N 1 0 397.317 2.548 20 0 GFADRO CCN(C(=O)C(=O)N[C@@H]1CCSc2ccc(Cl)cc21)[C@@H]1CC[N@H+](C)C1 ZINC000668708145 565662500 /nfs/dbraw/zinc/66/25/00/565662500.db2.gz TWOOKOITZWXDGX-UKRRQHHQSA-N 1 0 381.929 2.546 20 0 GFADRO COc1cc(NC(=O)CC[NH2+][C@@H](C)[C@@H](O)C(F)(F)F)c(OC)cc1Cl ZINC000647515013 565662647 /nfs/dbraw/zinc/66/26/47/565662647.db2.gz LMSQEDBTEPTFBG-RMLUDKJBSA-N 1 0 384.782 2.587 20 0 GFADRO C[C@H]1CC[C@H](NC(=O)Nc2cc(Br)ccc2N2CCOCC2)C[NH2+]1 ZINC000625848869 565662783 /nfs/dbraw/zinc/66/27/83/565662783.db2.gz LZQRWGKAYPZEJI-JSGCOSHPSA-N 1 0 397.317 2.548 20 0 GFADRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)Nc1cnn(-c2ccccc2Br)c1 ZINC000625872439 565663355 /nfs/dbraw/zinc/66/33/55/565663355.db2.gz AQPWHTWAFURSCG-UONOGXRCSA-N 1 0 378.274 2.897 20 0 GFADRO C[C@H]1CC[C@H](NC(=O)Nc2ccnn2Cc2cccc(Br)c2)C[NH2+]1 ZINC000625880862 565664741 /nfs/dbraw/zinc/66/47/41/565664741.db2.gz RVFVJXKDYZXYKF-WFASDCNBSA-N 1 0 392.301 2.956 20 0 GFADRO COc1ncc(Br)cc1CNC(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000625894942 565666033 /nfs/dbraw/zinc/66/60/33/565666033.db2.gz JBZYGNJRWAVZIP-UHFFFAOYSA-N 1 0 391.269 2.820 20 0 GFADRO CC1CC[NH+](C[C@H](O)CNC(=O)C2(c3cccc(Br)c3)CC2)CC1 ZINC000599275631 565667150 /nfs/dbraw/zinc/66/71/50/565667150.db2.gz WYXBKZOPYHINIL-QGZVFWFLSA-N 1 0 395.341 2.690 20 0 GFADRO Cc1cc(C(=O)N2CC[C@H]([N@@H+]3CC[C@@H](O)C3)C2)cc(Cl)c1Br ZINC000647707653 565671639 /nfs/dbraw/zinc/67/16/39/565671639.db2.gz BEJNTVRLWQWXPL-QWHCGFSZSA-N 1 0 387.705 2.692 20 0 GFADRO CC(C)Oc1cc(Br)cc(C(=O)N2CC[C@@H]([N@@H+]3CC[C@@H](O)C3)C2)c1 ZINC000647706828 565671675 /nfs/dbraw/zinc/67/16/75/565671675.db2.gz RCHZDPNECFEDGY-HZPDHXFCSA-N 1 0 397.313 2.517 20 0 GFADRO C[C@@H]1C[C@H](c2ccc(Br)cc2)C[N@@H+]1CC(=O)NC1CCOCC1 ZINC000626039883 565672630 /nfs/dbraw/zinc/67/26/30/565672630.db2.gz RGVDJTCDBRLITK-HIFRSBDPSA-N 1 0 381.314 2.922 20 0 GFADRO Cc1cc(C(=O)N[C@H](CO)C[NH+]2CCCC2)cc(Cl)c1Br ZINC000647711686 565673725 /nfs/dbraw/zinc/67/37/25/565673725.db2.gz AJNLPPKKUKXPDC-LBPRGKRZSA-N 1 0 375.694 2.597 20 0 GFADRO O=C(C[NH2+][C@H](CCO)c1cc(Cl)cc(Cl)c1)N1CCOC[C@H]1C1CC1 ZINC000626101382 565675070 /nfs/dbraw/zinc/67/50/70/565675070.db2.gz QNGZPVJQHUMAGF-SJORKVTESA-N 1 0 387.307 2.644 20 0 GFADRO C[N@@H+]1CCC[C@H]1[C@H]1COCCN1C(=O)CCOc1ccccc1Br ZINC000647822952 565678427 /nfs/dbraw/zinc/67/84/27/565678427.db2.gz ASGYCUNMBXKOHR-JKSUJKDBSA-N 1 0 397.313 2.540 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CN(CC(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)CCO1 ZINC000647863499 565681315 /nfs/dbraw/zinc/68/13/15/565681315.db2.gz CRUWGQGBKIMQRT-ZLIFDBKOSA-N 1 0 386.323 2.705 20 0 GFADRO C[C@H]([NH3+])[C@H]1CN(C(=O)C2(c3ccc(Br)cc3)CCCC2)CCO1 ZINC000647875695 565681398 /nfs/dbraw/zinc/68/13/98/565681398.db2.gz HWZNFAIHQNEDSS-XJKSGUPXSA-N 1 0 381.314 2.836 20 0 GFADRO CNS(=O)(=O)C[C@H]1CCC[N@@H+]([C@@H](C)c2ccc(OC(F)(F)F)cc2)C1 ZINC000626168776 565681861 /nfs/dbraw/zinc/68/18/61/565681861.db2.gz ZHVRLEQRJXEWEJ-STQMWFEESA-N 1 0 380.432 2.907 20 0 GFADRO [NH3+]CCC(=O)NC[C@H]1CCCCN1Cc1cc(Cl)ccc1OC(F)F ZINC000647942353 565685000 /nfs/dbraw/zinc/68/50/00/565685000.db2.gz BJMLDTXYODDDNP-CQSZACIVSA-N 1 0 375.847 2.761 20 0 GFADRO O=C([C@@H]1C[NH2+]CCC1(F)F)N1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000648016883 565687051 /nfs/dbraw/zinc/68/70/51/565687051.db2.gz KXSAMVOCZGCISY-UONOGXRCSA-N 1 0 389.240 2.594 20 0 GFADRO C[NH2+]C[C@@H]1CCCN1C(=O)NCCNc1ncc(C(F)(F)F)cc1Cl ZINC000669386301 565687271 /nfs/dbraw/zinc/68/72/71/565687271.db2.gz ALVCRCKWWMMFTE-NSHDSACASA-N 1 0 379.814 2.559 20 0 GFADRO CC1([NH3+])CCN(C(=O)NC[C@H]2CCN(c3cccc(Br)c3)C2)CC1 ZINC000669410976 565688374 /nfs/dbraw/zinc/68/83/74/565688374.db2.gz AIMALDCRDPEUGT-CQSZACIVSA-N 1 0 395.345 2.798 20 0 GFADRO COC(=O)C(C)(C)CC[NH2+][C@]1(CO)CCc2cc(Br)ccc2C1 ZINC000599573824 565690387 /nfs/dbraw/zinc/69/03/87/565690387.db2.gz ZIYQRQUTOJTMPT-GOSISDBHSA-N 1 0 384.314 2.848 20 0 GFADRO C[NH+]1CCC2(CC1)CN(Cc1cc(Br)c3c(c1)OCCO3)CCO2 ZINC000648071854 565690434 /nfs/dbraw/zinc/69/04/34/565690434.db2.gz XJRISBXUWKDSLZ-UHFFFAOYSA-N 1 0 397.313 2.517 20 0 GFADRO CCCSc1nsc(NC(=O)N2CCC(C)([NH+]3CCOCC3)CC2)n1 ZINC000626441299 565692258 /nfs/dbraw/zinc/69/22/58/565692258.db2.gz LKTOHSKBBRLSGS-UHFFFAOYSA-N 1 0 385.559 2.759 20 0 GFADRO CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000669551728 565692824 /nfs/dbraw/zinc/69/28/24/565692824.db2.gz IACXTGWFATVKOZ-PYTWLRIVSA-N 1 0 396.329 2.919 20 0 GFADRO CC1(C)C[NH2+][C@H]1C1CCN(C(=O)C(=O)c2ccc(Br)cc2)CC1 ZINC000648178431 565693104 /nfs/dbraw/zinc/69/31/04/565693104.db2.gz CWRMKCNJLHYLIH-INIZCTEOSA-N 1 0 379.298 2.868 20 0 GFADRO Cc1cc(Br)cc(C)c1N1CCC[C@@H](NC(=O)NC/C=C/C[NH3+])C1 ZINC000669584755 565694348 /nfs/dbraw/zinc/69/43/48/565694348.db2.gz WNBOFDZVQRIWAY-QDLOVBKTSA-N 1 0 395.345 2.849 20 0 GFADRO C[C@H]1C[C@@H](c2ccc(Br)cc2)C[N@@H+]1CC(=O)NC(=O)NC1CC1 ZINC000599653910 565694750 /nfs/dbraw/zinc/69/47/50/565694750.db2.gz XEOREQLTFVXSRW-WCQYABFASA-N 1 0 380.286 2.615 20 0 GFADRO COC(=O)CN(C)C(=O)CC[N@@H+]1C[C@H](c2ccc(Br)cc2)C[C@@H]1C ZINC000599653875 565695446 /nfs/dbraw/zinc/69/54/46/565695446.db2.gz WIIAWFOHDHAWRH-DZGCQCFKSA-N 1 0 397.313 2.648 20 0 GFADRO COc1cccc(C[NH2+]CCCNS(=O)(=O)c2ccccc2Cl)c1F ZINC000669685141 565699269 /nfs/dbraw/zinc/69/92/69/565699269.db2.gz RGFHNOLJOKWPLW-UHFFFAOYSA-N 1 0 386.876 2.946 20 0 GFADRO COc1cc(Br)c(C(=O)N[C@H](C)C2CC[NH+](C)CC2)cc1OC ZINC000648323125 565702425 /nfs/dbraw/zinc/70/24/25/565702425.db2.gz KGAGPRQFBZJLSC-LLVKDONJSA-N 1 0 385.302 2.926 20 0 GFADRO Cc1ccc(Br)cc1CC(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000648316181 565702695 /nfs/dbraw/zinc/70/26/95/565702695.db2.gz MKFSPGCLILLOEC-KRWDZBQOSA-N 1 0 394.357 2.585 20 0 GFADRO CSc1ccc(NC(=O)C(=O)NC(C)(C)CCC[NH3+])cc1Br ZINC000626837965 565712327 /nfs/dbraw/zinc/71/23/27/565712327.db2.gz NEOUVPSIWCYVJB-UHFFFAOYSA-N 1 0 388.331 2.743 20 0 GFADRO CCn1c(-c2cc(Br)cn2C)nnc1N1CC[N@H+](C)[C@@H](C(C)C)C1 ZINC000670062523 565713951 /nfs/dbraw/zinc/71/39/51/565713951.db2.gz JAICKLFXBBUZTO-OAHLLOKOSA-N 1 0 395.349 2.842 20 0 GFADRO Cc1cc(Br)c(Cl)cc1NC(=O)C(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000626893000 565714170 /nfs/dbraw/zinc/71/41/70/565714170.db2.gz JTDOFJNAKPYMEH-VHSXEESVSA-N 1 0 388.693 2.606 20 0 GFADRO CN(CCOCC[NH3+])C(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 ZINC000626938530 565715973 /nfs/dbraw/zinc/71/59/73/565715973.db2.gz TUDSKDIPHRFDSJ-NXEZZACHSA-N 1 0 379.345 2.513 20 0 GFADRO CC(C)(CNC(=O)NCC1([NH3+])CCOCC1)c1ccc(Br)cc1 ZINC000626940675 565716298 /nfs/dbraw/zinc/71/62/98/565716298.db2.gz AXRIRRAKRQRMQE-UHFFFAOYSA-N 1 0 384.318 2.534 20 0 GFADRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)NCc1cc(Br)ccc1OC(F)F ZINC000626962196 565716814 /nfs/dbraw/zinc/71/68/14/565716814.db2.gz PZBOKNZSMCMPJH-GZMMTYOYSA-N 1 0 378.217 2.600 20 0 GFADRO CO[C@H](C)c1nc(CNC(=O)N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)cs1 ZINC000626996177 565718292 /nfs/dbraw/zinc/71/82/92/565718292.db2.gz KFVUESXHQOWUJA-FOGDFJRCSA-N 1 0 380.436 2.519 20 0 GFADRO C[C@@H]1CC[C@H](NC(=O)N[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C[NH2+]1 ZINC000627011192 565718646 /nfs/dbraw/zinc/71/86/46/565718646.db2.gz YCIAWVFDQFZHCH-JRPNMDOOSA-N 1 0 385.295 2.538 20 0 GFADRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@H](C)[C@H](OC)c1ccc(Br)cc1 ZINC000627010241 565719006 /nfs/dbraw/zinc/71/90/06/565719006.db2.gz XQDKAQLTZCJCGY-CAPXZKIUSA-N 1 0 384.318 2.965 20 0 GFADRO COC(=O)CN1CCC([NH2+][C@H](CCO)c2cc(Cl)cc(Cl)c2)CC1 ZINC000600215627 565719114 /nfs/dbraw/zinc/71/91/14/565719114.db2.gz PVSJILSXFHQQEF-MRXNPFEDSA-N 1 0 375.296 2.644 20 0 GFADRO CC1(C)Cc2c(cccc2Br)[C@H]1NC(=O)NCCOCCC[NH3+] ZINC000627043860 565720777 /nfs/dbraw/zinc/72/07/77/565720777.db2.gz YOOINRJQYLKEGA-OAHLLOKOSA-N 1 0 384.318 2.737 20 0 GFADRO C[C@@H]1C[C@H](c2ccc(Br)cc2)CN1C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000627103637 565721512 /nfs/dbraw/zinc/72/15/12/565721512.db2.gz VYBXCRKQSLFIJM-UKPHBRMFSA-N 1 0 396.329 2.715 20 0 GFADRO O=C(N[C@@H]1CC[NH2+]C12CCC2)N1CCOC[C@H]1c1ccc(Br)cc1 ZINC000627127072 565722214 /nfs/dbraw/zinc/72/22/14/565722214.db2.gz RUBPWXUYMLZGGY-JKSUJKDBSA-N 1 0 394.313 2.817 20 0 GFADRO COC(=O)c1cc(Br)cc(C(=O)NC[C@H]2CCCC[N@H+](C)C2)c1 ZINC000600316252 565723737 /nfs/dbraw/zinc/72/37/37/565723737.db2.gz YMHROBXLRHPCCH-GFCCVEGCSA-N 1 0 383.286 2.697 20 0 GFADRO O=C(CCCOc1ccc(Cl)cc1Cl)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000670447203 565724506 /nfs/dbraw/zinc/72/45/06/565724506.db2.gz NHIZEZSPCXCGPF-HNNXBMFYSA-N 1 0 386.323 2.659 20 0 GFADRO CC(C)[C@@H]1C[NH2+]CCN1C(=O)NCc1cc(F)c(Br)cc1F ZINC000627180851 565725267 /nfs/dbraw/zinc/72/52/67/565725267.db2.gz IVVXISDDYCGZPF-AWEZNQCLSA-N 1 0 376.245 2.867 20 0 GFADRO C[C@@H]1CC[C@@H](NC(=O)N[C@@H](CO)c2ccc(Cl)cc2C(F)(F)F)C[NH2+]1 ZINC000627201805 565726246 /nfs/dbraw/zinc/72/62/46/565726246.db2.gz DOBHSSICKVFNLN-UDZFHETQSA-N 1 0 379.810 2.832 20 0 GFADRO Cn1nc2cc(Br)ccc2c1C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000648744024 565726443 /nfs/dbraw/zinc/72/64/43/565726443.db2.gz GSWJZLUKXYHTKU-NSHDSACASA-N 1 0 377.286 2.550 20 0 GFADRO C[C@@H](NC(=O)c1cc2c(cncc2Br)s1)[C@@H](C)N1CCOCC1 ZINC000648771049 565727478 /nfs/dbraw/zinc/72/74/78/565727478.db2.gz AUODUBZLJWSJQR-GHMZBOCLSA-N 1 0 398.326 2.898 20 0 GFADRO O=C(CCc1cc(Cl)ccc1Br)NC[C@@H]1C[NH2+]CCCO1 ZINC000648827819 565732238 /nfs/dbraw/zinc/73/22/38/565732238.db2.gz QQSIWLXVRKETNE-ZDUSSCGKSA-N 1 0 375.694 2.530 20 0 GFADRO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)c2cc(Br)ccc2OC(F)F)C1 ZINC000648911466 565738490 /nfs/dbraw/zinc/73/84/90/565738490.db2.gz NBVVHBMSTKTBIL-CABZTGNLSA-N 1 0 375.213 2.827 20 0 GFADRO C[N@H+](CCn1cc(Br)cn1)Cc1ccc(C(=O)NC2CC2)cc1 ZINC000600627925 565739516 /nfs/dbraw/zinc/73/95/16/565739516.db2.gz VNJBVIIHXXYGHS-UHFFFAOYSA-N 1 0 377.286 2.670 20 0 GFADRO C[C@H]1C[C@H]([NH3+])CN1C(=O)Nc1ccc(Cl)cc1I ZINC000601557462 565791509 /nfs/dbraw/zinc/79/15/09/565791509.db2.gz BEAMISZUYCMWSD-CBAPKCEASA-N 1 0 379.629 2.898 20 0 GFADRO C[C@H](NC(=O)C(=O)N1CC[C@H]2CC[N@H+](C)C[C@@H]21)c1cc(Cl)ccc1Cl ZINC000670927316 565745608 /nfs/dbraw/zinc/74/56/08/565745608.db2.gz ZSIGWQPDJBXYKK-OZVIIMIRSA-N 1 0 384.307 2.723 20 0 GFADRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)[C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 ZINC000649074342 565746152 /nfs/dbraw/zinc/74/61/52/565746152.db2.gz GMQLFGALOYMTAS-XFBWCDHKSA-N 1 0 384.307 2.675 20 0 GFADRO C[C@@H](CC(=O)N1CN(CC[NH+](C)C)C(=O)[C@H]1C)c1ccc(Br)cc1 ZINC000649073153 565746457 /nfs/dbraw/zinc/74/64/57/565746457.db2.gz PPWAGMRAVSLKCR-UONOGXRCSA-N 1 0 396.329 2.521 20 0 GFADRO O=S(=O)(Cc1ccc(OC(F)(F)F)cc1)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000600751238 565747921 /nfs/dbraw/zinc/74/79/21/565747921.db2.gz CHPMFXHGBMYJTE-HUUCEWRRSA-N 1 0 378.416 2.631 20 0 GFADRO COc1ccc(Br)cc1C(=O)N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000627739874 565749018 /nfs/dbraw/zinc/74/90/18/565749018.db2.gz USDHMXMMPIABDC-UHFFFAOYSA-N 1 0 397.313 2.785 20 0 GFADRO C[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1CCc3cc(Br)ccc31)CCO2 ZINC000649129092 565749115 /nfs/dbraw/zinc/74/91/15/565749115.db2.gz LDKHJEMKRUQQRH-QGZVFWFLSA-N 1 0 393.325 2.802 20 0 GFADRO C[C@H](Oc1ccc(Br)cc1)C(=O)N1CCOC2(CC[NH+](C)CC2)C1 ZINC000649130003 565749440 /nfs/dbraw/zinc/74/94/40/565749440.db2.gz SUGZKODTECPBJI-AWEZNQCLSA-N 1 0 397.313 2.540 20 0 GFADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)NCC(C)(C)c1ccc(Cl)c(Cl)c1 ZINC000600864001 565753138 /nfs/dbraw/zinc/75/31/38/565753138.db2.gz IROZDZWLYNVLGH-AWEZNQCLSA-N 1 0 387.355 2.816 20 0 GFADRO CC(C)([NH3+])CCC(=O)N1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000649299436 565758290 /nfs/dbraw/zinc/75/82/90/565758290.db2.gz VMXLKWZBHKAJOX-LBPRGKRZSA-N 1 0 397.317 2.539 20 0 GFADRO O=C(NC[C@H]1CC[N@@H+]1C1CCCC1)C(=O)Nc1ccc(F)c(Br)c1 ZINC000627907175 565761207 /nfs/dbraw/zinc/76/12/07/565761207.db2.gz PVVMZPUVEMOBPF-CYBMUJFWSA-N 1 0 398.276 2.660 20 0 GFADRO C[C@@H](Cc1ccc(Br)cc1)C(=O)N1CCC([NH+]2CCOCC2)CC1 ZINC000628124528 565775286 /nfs/dbraw/zinc/77/52/86/565775286.db2.gz KSLGCUHORBADGM-HNNXBMFYSA-N 1 0 395.341 2.951 20 0 GFADRO CC[N@H+](C[C@H](O)COc1cc(F)cc(Br)c1)[C@H]1CCCOC1 ZINC000649755869 565776457 /nfs/dbraw/zinc/77/64/57/565776457.db2.gz ZVNCIXUNVPARTM-GJZGRUSLSA-N 1 0 376.266 2.829 20 0 GFADRO Cc1ncsc1CCS(=O)(=O)N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC000649810835 565779388 /nfs/dbraw/zinc/77/93/88/565779388.db2.gz HDBHWGZJARRDCM-QGZVFWFLSA-N 1 0 379.551 2.530 20 0 GFADRO CN(C)C(=O)NCC[N@H+](C)Cc1c[nH]nc1-c1ccc(Br)s1 ZINC000628232750 565779959 /nfs/dbraw/zinc/77/99/59/565779959.db2.gz MGECDYGOXDWVLB-UHFFFAOYSA-N 1 0 386.319 2.604 20 0 GFADRO O[C@H](COc1ccc(Cl)c(Cl)c1)CN1CCO[C@@]2(CCCOC2)C1 ZINC000671696364 565781275 /nfs/dbraw/zinc/78/12/75/565781275.db2.gz PADBQGLFQMMEEV-GUYCJALGSA-N 1 0 376.280 2.615 20 0 GFADRO COCC[N@@H+]1CCN(C[C@H](O)COc2c(Cl)cccc2Cl)C(C)(C)C1 ZINC000649848085 565781477 /nfs/dbraw/zinc/78/14/77/565781477.db2.gz CBQUIUKIXNOXRF-AWEZNQCLSA-N 1 0 391.339 2.776 20 0 GFADRO CCCOc1c(Br)cc(C[N@H+](C)[C@]2(CO)CCOC2)cc1OC ZINC000628366260 565786404 /nfs/dbraw/zinc/78/64/04/565786404.db2.gz GZPAKJAKPUBAGN-KRWDZBQOSA-N 1 0 388.302 2.830 20 0 GFADRO CCC1([NH+](C)C)CCN(S(=O)(=O)c2ccc(Cl)cc2C(=O)OC)CC1 ZINC000601503281 565788145 /nfs/dbraw/zinc/78/81/45/565788145.db2.gz DSRMMMOGLOWEJY-UHFFFAOYSA-N 1 0 388.917 2.622 20 0 GFADRO CCO[C@H]1CC[N@H+](Cc2cc(=O)n3cc(Br)ccc3n2)C[C@H]1C ZINC000649990713 565791021 /nfs/dbraw/zinc/79/10/21/565791021.db2.gz KSWRFIVYQGUYCV-DOMZBBRYSA-N 1 0 380.286 2.704 20 0 GFADRO Cc1ccc(I)c(C(=O)N2CCC[C@@H]3C[NH2+]CC[C@H]32)c1 ZINC000601557387 565791174 /nfs/dbraw/zinc/79/11/74/565791174.db2.gz ONRLTPVBHGKHJL-IUODEOHRSA-N 1 0 384.261 2.814 20 0 GFADRO COC(=O)c1c(C)c(NC(=O)N2C[C@@H](C[NH3+])[C@H](C)C2)ccc1Br ZINC000601556878 565791337 /nfs/dbraw/zinc/79/13/37/565791337.db2.gz IFVWUPVTSWCMKN-MWLCHTKSSA-N 1 0 384.274 2.603 20 0 GFADRO O=C(c1ccc(F)cc1I)N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000601559567 565792120 /nfs/dbraw/zinc/79/21/20/565792120.db2.gz UVTNSYKJAVTHHY-QMTHXVAHSA-N 1 0 388.224 2.644 20 0 GFADRO CNS(=O)(=O)C[C@@H]1CCC[N@H+](C[C@H](C)c2cccc(Br)c2)C1 ZINC000628496111 565792567 /nfs/dbraw/zinc/79/25/67/565792567.db2.gz IUYMAEQGFCWQBZ-UONOGXRCSA-N 1 0 389.359 2.814 20 0 GFADRO C[C@@H]1[C@H](C)N(C(=O)c2cnc3ncc(Br)cc3c2)[C@@H](C)C[N@@H+]1C ZINC000650155300 565800129 /nfs/dbraw/zinc/80/01/29/565800129.db2.gz YBZYGGSCLZNXIN-TUAOUCFPSA-N 1 0 377.286 2.945 20 0 GFADRO Cc1csc(C(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)c1I ZINC000601970771 565810761 /nfs/dbraw/zinc/81/07/61/565810761.db2.gz PNRWTWNMPKALMG-OKILXGFUSA-N 1 0 390.290 2.733 20 0 GFADRO O=C(NCCCCc1ccc(Cl)s1)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000673064458 565825940 /nfs/dbraw/zinc/82/59/40/565825940.db2.gz GCVIHBIUGWUNDR-HZPDHXFCSA-N 1 0 385.961 2.965 20 0 GFADRO C[C@@H](NC(=O)C(C)(C)S(=O)(=O)c1ccc(Cl)cc1)C1CC[NH+](C)CC1 ZINC000673186576 565829227 /nfs/dbraw/zinc/82/92/27/565829227.db2.gz XZTFXYUVEVLLQP-CYBMUJFWSA-N 1 0 386.945 2.739 20 0 GFADRO O=C(Nc1ccc(SCC[NH+]2CCCC2)cc1)C1CCS(=O)(=O)CC1 ZINC000650680443 565830884 /nfs/dbraw/zinc/83/08/84/565830884.db2.gz DHUQHCANHFNQEA-UHFFFAOYSA-N 1 0 382.551 2.638 20 0 GFADRO Cc1cc(Br)ccc1SCC(=O)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000673515303 565838448 /nfs/dbraw/zinc/83/84/48/565838448.db2.gz QUQBSGIGMZOAAH-HUUCEWRRSA-N 1 0 399.354 2.517 20 0 GFADRO O=C(c1csc(-c2ccc(Cl)s2)n1)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000673518270 565838858 /nfs/dbraw/zinc/83/88/58/565838858.db2.gz UUHOYJCWCRZVSJ-MNOVXSKESA-N 1 0 383.926 2.806 20 0 GFADRO CC(C)c1nc(S(=O)(=O)NC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)c[nH]1 ZINC000673823067 565848982 /nfs/dbraw/zinc/84/89/82/565848982.db2.gz UOFKYKCDQGPEAD-CJNGLKHVSA-N 1 0 382.555 2.956 20 0 GFADRO CCC1([NH+]2CCOCC2)CCN(C(=O)c2ccc(Br)cc2O)CC1 ZINC000629418692 565851162 /nfs/dbraw/zinc/85/11/62/565851162.db2.gz SAVFWVAEFKXFPV-UHFFFAOYSA-N 1 0 397.313 2.872 20 0 GFADRO Ic1ccc(CN2CC[NH+](C[C@H]3CCOC3)CC2)s1 ZINC000602480691 565851180 /nfs/dbraw/zinc/85/11/80/565851180.db2.gz IRPMIUDEQKFLNS-GFCCVEGCSA-N 1 0 392.306 2.507 20 0 GFADRO CCOC(=O)c1cc(CN(C)[C@@H](CO)c2cccc(Br)c2)on1 ZINC000602482630 565851552 /nfs/dbraw/zinc/85/15/52/565851552.db2.gz ORNSCYOLIOHKAU-HNNXBMFYSA-N 1 0 383.242 2.779 20 0 GFADRO C[C@@H](CNc1ncc(Br)c2ccc(F)cc21)N1CC[NH+](C)CC1 ZINC000651305107 565855377 /nfs/dbraw/zinc/85/53/77/565855377.db2.gz HEQKMBXYPUDRSD-LBPRGKRZSA-N 1 0 381.293 3.184 20 0 GFADRO COc1ncc(Br)cc1C[NH2+]C[C@@H](O)COc1ccccc1F ZINC000629593485 565862054 /nfs/dbraw/zinc/86/20/54/565862054.db2.gz OAALEABSGSKXGL-CYBMUJFWSA-N 1 0 385.233 2.521 20 0 GFADRO C[NH+](C)[C@@]1(CNC(=O)c2cnc(-c3ccccc3Cl)nc2)CCSC1 ZINC000651434658 565863217 /nfs/dbraw/zinc/86/32/17/565863217.db2.gz DZMBGFPXDOHYGL-GOSISDBHSA-N 1 0 376.913 2.964 20 0 GFADRO COC1CC[NH+](CCNC(=O)[C@H]2CCOc3ccc(Br)cc32)CC1 ZINC000651461109 565864286 /nfs/dbraw/zinc/86/42/86/565864286.db2.gz KFCNNEVEQAWOBD-HNNXBMFYSA-N 1 0 397.313 2.542 20 0 GFADRO CCO[C@H](CC[NH+](C)C)CNC(=O)[C@H]1CCOc2ccc(Br)cc21 ZINC000651466517 565864751 /nfs/dbraw/zinc/86/47/51/565864751.db2.gz CRPSFQKPDIXDMX-CABCVRRESA-N 1 0 399.329 2.788 20 0 GFADRO CCC[NH+]1CCC(NS(=O)(=O)c2sc(Br)cc2C)CC1 ZINC000651503671 565867112 /nfs/dbraw/zinc/86/71/12/565867112.db2.gz JCPVOEQUVPLTFP-UHFFFAOYSA-N 1 0 381.361 2.972 20 0 GFADRO COC1CC[NH+](CCNC(=O)N[C@H](C)Cc2cccc(Br)c2)CC1 ZINC000674327715 565868473 /nfs/dbraw/zinc/86/84/73/565868473.db2.gz MXUWTOYETXEMBS-CQSZACIVSA-N 1 0 398.345 2.790 20 0 GFADRO CC[C@H](C[NH+]1CCCC1)NS(=O)(=O)c1ccc(F)c(Br)c1 ZINC000674345612 565869939 /nfs/dbraw/zinc/86/99/39/565869939.db2.gz XQRXVRYNCDNUTH-LLVKDONJSA-N 1 0 379.295 2.741 20 0 GFADRO C[N@H+](CC(=O)N1CCN(C(=O)c2c(Cl)cccc2Cl)CC1)C1CCC1 ZINC000629951551 565876681 /nfs/dbraw/zinc/87/66/81/565876681.db2.gz XLMNXSBGDZSIHH-UHFFFAOYSA-N 1 0 384.307 2.762 20 0 GFADRO O=[S@](CC[NH+]1CCC(CCO)(CCO)CC1)c1cc(Cl)ccc1Cl ZINC000602966319 565877121 /nfs/dbraw/zinc/87/71/21/565877121.db2.gz AOPMNUCAHZJGQS-XMMPIXPASA-N 1 0 394.364 2.948 20 0 GFADRO Cc1cc(Cl)cc(NC(=O)C(=O)N[C@H]2CCC[N@@H+](C)C2)c1Br ZINC000651610533 565878605 /nfs/dbraw/zinc/87/86/05/565878605.db2.gz KMURETRGPYLGJJ-NSHDSACASA-N 1 0 388.693 2.560 20 0 GFADRO O[C@H](C[N@@H+]1CCC[C@H]1c1ccc(Br)cc1)CC1(O)CCOCC1 ZINC000630041692 565880835 /nfs/dbraw/zinc/88/08/35/565880835.db2.gz RVIZYGCYAVNVMX-IRXDYDNUSA-N 1 0 384.314 2.879 20 0 GFADRO Cc1cc(Br)sc1S(=O)(=O)N(C)[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000651734514 565888592 /nfs/dbraw/zinc/88/85/92/565888592.db2.gz MDJGJOYDCWRYJJ-LLVKDONJSA-N 1 0 381.361 2.922 20 0 GFADRO COC(=O)c1sc2cccc(F)c2c1Cn1cc(CSCC[NH3+])nn1 ZINC000603196311 565890202 /nfs/dbraw/zinc/89/02/02/565890202.db2.gz LIXLQCUVUFKODT-UHFFFAOYSA-N 1 0 380.470 2.659 20 0 GFADRO [NH3+]CCSCc1cn(Cc2ncc(-c3ccc(Br)cc3)o2)nn1 ZINC000603225657 565891678 /nfs/dbraw/zinc/89/16/78/565891678.db2.gz FAJOJRXRUPGVRY-UHFFFAOYSA-N 1 0 394.298 2.936 20 0 GFADRO C[NH2+][C@@H](C)c1cn(Cc2ccc(I)cc2Cl)nn1 ZINC000603247088 565892659 /nfs/dbraw/zinc/89/26/59/565892659.db2.gz KEIIFTSBLJAPIB-QMMMGPOBSA-N 1 0 376.629 2.865 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)N1CCc2c(F)cc(Br)cc2C1 ZINC000675245877 565895534 /nfs/dbraw/zinc/89/55/34/565895534.db2.gz HZWWUXJXALKBIU-CYBMUJFWSA-N 1 0 382.277 2.893 20 0 GFADRO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)C(=O)Nc2cc(Cl)c(Cl)c(Cl)c2)C1 ZINC000651818259 565896538 /nfs/dbraw/zinc/89/65/38/565896538.db2.gz OKOVOSMSENLSFY-UFBFGSQYSA-N 1 0 376.671 2.748 20 0 GFADRO CCOC(=O)c1nc(N2CCc3[nH+]ccc(N)c3C2)ccc1Br ZINC000603402092 565902445 /nfs/dbraw/zinc/90/24/45/565902445.db2.gz DFLPZOCHSYOSTI-UHFFFAOYSA-N 1 0 377.242 2.561 20 0 GFADRO C[C@@H](CNC(=O)CCCc1cccc(Br)c1)C[NH+]1CCN(C)CC1 ZINC000675462540 565903251 /nfs/dbraw/zinc/90/32/51/565903251.db2.gz DRNKSHVASJPNHA-INIZCTEOSA-N 1 0 396.373 2.772 20 0 GFADRO C[C@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH2+][C@H]1C[C@@H](C(N)=O)C1 ZINC000651939456 565906269 /nfs/dbraw/zinc/90/62/69/565906269.db2.gz GKEHDIQPFSTYMI-KKZNHRDASA-N 1 0 377.794 2.929 20 0 GFADRO O=C(CCCc1cccc(Br)c1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000675485063 565906337 /nfs/dbraw/zinc/90/63/37/565906337.db2.gz FZSXBXFEDYKYTE-KRWDZBQOSA-N 1 0 395.341 2.953 20 0 GFADRO O=c1c(Cl)c(NC[C@@H]2COCC[NH2+]2)cnn1-c1ccc(Cl)c(Cl)c1 ZINC000630531880 565907960 /nfs/dbraw/zinc/90/79/60/565907960.db2.gz DCZOKXLMQFDFFV-SECBINFHSA-N 1 0 389.670 2.593 20 0 GFADRO Cc1cc(Br)cc(CN2CC([N@@H+]3CC[C@@H](O)C3)C2)c1OC(F)F ZINC000651978049 565908635 /nfs/dbraw/zinc/90/86/35/565908635.db2.gz PMCAWXIGOAHDEG-CQSZACIVSA-N 1 0 391.256 2.610 20 0 GFADRO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CC[C@@]1(O)CCCOC1 ZINC000652046150 565913008 /nfs/dbraw/zinc/91/30/08/565913008.db2.gz NRQDFVOKBGOWQP-DYVFJYSZSA-N 1 0 385.302 2.687 20 0 GFADRO COCCC[C@@H]([NH2+]C[C@@H]1CCS(=O)(=O)C1)c1ccc(Br)cc1 ZINC000675735621 565913817 /nfs/dbraw/zinc/91/38/17/565913817.db2.gz CGVNSYLJVZDLDA-XJKSGUPXSA-N 1 0 390.343 2.941 20 0 GFADRO O=C(Cc1ccc(Br)s1)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000603863195 565916986 /nfs/dbraw/zinc/91/69/86/565916986.db2.gz YRUAXAQAWAUMIL-CYBMUJFWSA-N 1 0 387.343 2.766 20 0 GFADRO COCCN(Cc1cc(Br)cs1)C(=O)NCCC1(C[NH3+])CC1 ZINC000652236183 565919791 /nfs/dbraw/zinc/91/97/91/565919791.db2.gz GKENUMQCVOBCKH-UHFFFAOYSA-N 1 0 390.347 2.798 20 0 GFADRO Clc1cccc2c1SCC[C@@H]2[NH2+][C@@H]1CCN(CCN2CCOCC2)C1 ZINC000675886946 565920118 /nfs/dbraw/zinc/92/01/18/565920118.db2.gz PYLJYENOPBYASQ-QAPCUYQASA-N 1 0 381.973 2.873 20 0 GFADRO CCOC(=O)CCCNC(=O)C[NH2+]C(C)(C)c1ccc(Br)cc1 ZINC000604124839 565924569 /nfs/dbraw/zinc/92/45/69/565924569.db2.gz MCINAWIOUKNTKC-UHFFFAOYSA-N 1 0 385.302 2.733 20 0 GFADRO Cc1cc(Br)sc1S(=O)(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000652370172 565924929 /nfs/dbraw/zinc/92/49/29/565924929.db2.gz UITRBJQLUFWJSU-XYPYZODXSA-N 1 0 381.361 2.862 20 0 GFADRO C[C@H]1CCCN(S(=O)(=O)c2cc(Br)ccc2F)[C@H]1CC[NH3+] ZINC000652378150 565926404 /nfs/dbraw/zinc/92/64/04/565926404.db2.gz ZUGKXGSHEURQLS-GWCFXTLKSA-N 1 0 379.295 2.726 20 0 GFADRO C[C@@H]1CCCN(S(=O)(=O)c2ccc(OCC(F)(F)F)cc2)[C@H]1CC[NH3+] ZINC000652378319 565926761 /nfs/dbraw/zinc/92/67/61/565926761.db2.gz GEGBNBFQGMAHGB-DOMZBBRYSA-N 1 0 380.432 2.766 20 0 GFADRO O=S(=O)(NCCC1CC[NH2+]CC1)c1c(Cl)cccc1Br ZINC000652384745 565927621 /nfs/dbraw/zinc/92/76/21/565927621.db2.gz LZHFRWXXMLGPRY-UHFFFAOYSA-N 1 0 381.723 2.771 20 0 GFADRO C[NH2+]Cc1ccccc1CNS(=O)(=O)c1cc(Cl)c(OC)cc1OC ZINC000652382186 565927649 /nfs/dbraw/zinc/92/76/49/565927649.db2.gz IEJCPGDBVKNAMJ-UHFFFAOYSA-N 1 0 384.885 2.555 20 0 GFADRO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCCN2S(=O)(=O)c2ccc(F)c(Cl)c2)C1 ZINC000652384832 565927789 /nfs/dbraw/zinc/92/77/89/565927789.db2.gz PMFMARPFYLQMAL-HFBAOOFYSA-N 1 0 376.881 2.529 20 0 GFADRO Cc1ccc(Br)cc1S(=O)(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000604408002 565929335 /nfs/dbraw/zinc/92/93/35/565929335.db2.gz UPQXPVDVSZWJCX-ZDUSSCGKSA-N 1 0 375.332 2.720 20 0 GFADRO Cc1cc(S(=O)(=O)N(C)C[C@H]2CCC[N@H+](C)C2)ccc1Br ZINC000604408048 565929676 /nfs/dbraw/zinc/92/96/76/565929676.db2.gz ZKJLMYYGBBBBLY-ZDUSSCGKSA-N 1 0 375.332 2.720 20 0 GFADRO Fc1ccc(CC[NH2+]Cc2cn(C[C@@H]3CCOC3)nn2)cc1Br ZINC000631053617 565936980 /nfs/dbraw/zinc/93/69/80/565936980.db2.gz MGPKLADYEMRERZ-ZDUSSCGKSA-N 1 0 383.265 2.549 20 0 GFADRO COc1cccc(OCCC[NH2+]Cc2ccc(Cl)c(S(N)(=O)=O)c2)c1 ZINC000631075692 565938721 /nfs/dbraw/zinc/93/87/21/565938721.db2.gz FPLWEKOQYCKULN-UHFFFAOYSA-N 1 0 384.885 2.555 20 0 GFADRO COc1ccc(C[C@H](CO)C[NH2+]Cc2ncnn2C(C)C)cc1Br ZINC000631152591 565945622 /nfs/dbraw/zinc/94/56/22/565945622.db2.gz KBWLCTNYRDWVSK-AWEZNQCLSA-N 1 0 397.317 2.571 20 0 GFADRO COc1ccc(C[C@@H](CO)C[NH2+]Cc2ncnn2C(C)C)cc1Br ZINC000631152595 565945721 /nfs/dbraw/zinc/94/57/21/565945721.db2.gz KBWLCTNYRDWVSK-CQSZACIVSA-N 1 0 397.317 2.571 20 0 GFADRO Cc1ccc(C[C@@H](CO)C[NH2+]Cc2ncnn2C(C)C)cc1Br ZINC000631152032 565945803 /nfs/dbraw/zinc/94/58/03/565945803.db2.gz FHNZWEUYWMQTID-OAHLLOKOSA-N 1 0 381.318 2.871 20 0 GFADRO Cc1cc(Br)ccc1C(=O)N1CCC([NH2+][C@H]2C[C@@H](CO)C2)CC1 ZINC000631197146 565947384 /nfs/dbraw/zinc/94/73/84/565947384.db2.gz GCYBEUCUBHGBIU-AKAXFMLLSA-N 1 0 381.314 2.723 20 0 GFADRO CCC[C@H](CCO)[NH2+]Cc1cc(Br)ccc1O[C@@H](C)C(=O)NC ZINC000631200975 565948650 /nfs/dbraw/zinc/94/86/50/565948650.db2.gz YTMWLDCUKZGAJM-SWLSCSKDSA-N 1 0 387.318 2.603 20 0 GFADRO CN(C(=O)[C@@H]1[C@@H]2Cc3cc(Br)ccc3[C@@H]21)[C@@H]1C[NH+]2CCC1CC2 ZINC000631233102 565949801 /nfs/dbraw/zinc/94/98/01/565949801.db2.gz HIZZLRDPBWJTAJ-ZJPYXAASSA-N 1 0 375.310 2.887 20 0 GFADRO C[C@@H](NC(=O)[C@H]1CCC[NH2+]CC1)c1cc2c(cc1Br)OCCO2 ZINC000653074585 565952900 /nfs/dbraw/zinc/95/29/00/565952900.db2.gz NYEZGHVKVDNARJ-NEPJUHHUSA-N 1 0 383.286 2.787 20 0 GFADRO C[NH+](C)CC[C@H](N)C(=O)Nc1nc(-c2cc(Br)cs2)cs1 ZINC000653090514 565955114 /nfs/dbraw/zinc/95/51/14/565955114.db2.gz RNQJUMLKHBONQK-VIFPVBQESA-N 1 0 389.344 2.852 20 0 GFADRO COCC[NH2+]C1CCN(C(=O)CCc2ccc(OC)c(Br)c2)CC1 ZINC000653180480 565957332 /nfs/dbraw/zinc/95/73/32/565957332.db2.gz BPQBFPBJHYFODY-UHFFFAOYSA-N 1 0 399.329 2.617 20 0 GFADRO O=C(NCc1nc(-c2cccc(Br)c2)no1)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653160859 565957695 /nfs/dbraw/zinc/95/76/95/565957695.db2.gz YUYMZCMODWACNO-KGLIPLIRSA-N 1 0 391.269 2.646 20 0 GFADRO [NH3+]C[C@]12CCC[C@H]1CN(C(=O)c1ccc(-n3cc(Br)cn3)cc1)C2 ZINC000653196320 565958490 /nfs/dbraw/zinc/95/84/90/565958490.db2.gz FUBIAIGTAKKFAV-KSSFIOAISA-N 1 0 389.297 2.836 20 0 GFADRO [NH3+]C[C@]12CCC[C@H]1CN(C(=O)c1cnn(-c3ccc(Br)cc3)c1)C2 ZINC000653196624 565958573 /nfs/dbraw/zinc/95/85/73/565958573.db2.gz WWAKFIQNXFOLDQ-KSSFIOAISA-N 1 0 389.297 2.836 20 0 GFADRO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCCN2C(=O)C(=O)c2ccc(Br)cc2)C1 ZINC000653262627 565960656 /nfs/dbraw/zinc/96/06/56/565960656.db2.gz GSPWGFQVMRARMQ-OWCLPIDISA-N 1 0 395.297 2.519 20 0 GFADRO CC[N@@H+]1CCN(Cc2nc(Cc3cccc(Br)c3)no2)C[C@@H]1C ZINC000677194180 565963343 /nfs/dbraw/zinc/96/33/43/565963343.db2.gz FWMLRAQORAHCGP-ZDUSSCGKSA-N 1 0 379.302 2.949 20 0 GFADRO CC[N@@H+]1CCN(C(=O)[C@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)C[C@@H]1C ZINC000677184979 565964064 /nfs/dbraw/zinc/96/40/64/565964064.db2.gz VXUPLOPXOHVGHU-GXTWGEPZSA-N 1 0 384.307 2.899 20 0 GFADRO CN(CC[NH+]1CCCCC1)C(=O)C(=O)NCCc1ccc(Cl)cc1Cl ZINC000653351626 565964492 /nfs/dbraw/zinc/96/44/92/565964492.db2.gz FMJDPIDQKXHFTE-UHFFFAOYSA-N 1 0 386.323 2.596 20 0 GFADRO O=C(NCC[NH2+][C@@H]1CCCc2ncccc21)c1ccc(Br)cn1 ZINC000631644633 565964558 /nfs/dbraw/zinc/96/45/58/565964558.db2.gz HOJWOCFGVVNCBP-OAHLLOKOSA-N 1 0 375.270 2.636 20 0 GFADRO O=C(NCCCn1ccnc1)N1CCOc2cccc(Br)c2C1 ZINC000653479969 565966796 /nfs/dbraw/zinc/96/67/96/565966796.db2.gz KZYVMBQGZFNDJS-UHFFFAOYSA-N 1 0 379.258 2.640 20 0 GFADRO COC1CC[NH+](CCNCc2cn(-c3cccc(Cl)c3Cl)nn2)CC1 ZINC000677245854 565966936 /nfs/dbraw/zinc/96/69/36/565966936.db2.gz UJFMUJBWYVGWPA-UHFFFAOYSA-N 1 0 384.311 2.775 20 0 GFADRO C[C@@H](NC(=O)NCc1cc2c(c(Br)c1)OCO2)C1CC[NH+](C)CC1 ZINC000606658319 565968622 /nfs/dbraw/zinc/96/86/22/565968622.db2.gz AFUZXWSAKOROHN-LLVKDONJSA-N 1 0 398.301 2.707 20 0 GFADRO CCCC[N@H+](C)CC1CCN(C(=O)NCc2n[nH]cc2Br)CC1 ZINC000606695203 565969927 /nfs/dbraw/zinc/96/99/27/565969927.db2.gz JSMBPBZQZYKNQM-UHFFFAOYSA-N 1 0 386.338 2.826 20 0 GFADRO CN(CCCC[NH+](C)C)C(=O)CSc1nncn1-c1cccc(Cl)c1 ZINC000607036246 565976522 /nfs/dbraw/zinc/97/65/22/565976522.db2.gz BVCDZIKGSCNSFK-UHFFFAOYSA-N 1 0 381.933 2.813 20 0 GFADRO C[N@@H+]1CC[C@@H](NC(=O)CCn2cc(Br)cn2)[C@H]1c1ccccc1 ZINC000677618819 565979484 /nfs/dbraw/zinc/97/94/84/565979484.db2.gz VHFCIIIULYCNSE-NVXWUHKLSA-N 1 0 377.286 2.597 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)N(C)Cc2c(F)cccc2Cl)C[C@@H]1C ZINC000607161332 565979891 /nfs/dbraw/zinc/97/98/91/565979891.db2.gz QFWSYJMMUGEIMJ-UONOGXRCSA-N 1 0 391.940 2.960 20 0 GFADRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3ccc4cncc(Br)c4n3)CC[C@@H]21 ZINC000631882075 565979905 /nfs/dbraw/zinc/97/99/05/565979905.db2.gz QEUFDQZEFYBHBA-BBRMVZONSA-N 1 0 389.297 2.949 20 0 GFADRO CC(C)[NH2+]C1(CO)CCN(C[C@H](O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000653729190 565980756 /nfs/dbraw/zinc/98/07/56/565980756.db2.gz ZOGXNXYMLJXNGM-AWEZNQCLSA-N 1 0 391.339 2.558 20 0 GFADRO OC[C@@H]1CCCCC[N@@H+]1C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000653783999 565981257 /nfs/dbraw/zinc/98/12/57/565981257.db2.gz AYDOCXXXRPGPOJ-LSDHHAIUSA-N 1 0 376.266 2.565 20 0 GFADRO [NH3+]C[C@@H]1CCN(S(=O)(=O)c2csnc2-c2cccc(C(F)(F)F)c2)C1 ZINC000631902578 565982215 /nfs/dbraw/zinc/98/22/15/565982215.db2.gz LTPJHIUBGPDEFI-JTQLQIEISA-N 1 0 391.440 2.798 20 0 GFADRO COCCSc1ccc([C@@H](C)NS(=O)(=O)CCC[NH+]2CCCC2)cc1 ZINC000631899270 565982242 /nfs/dbraw/zinc/98/22/42/565982242.db2.gz JTVSQSRYQFSHFF-MRXNPFEDSA-N 1 0 386.583 2.891 20 0 GFADRO COCC[C@H](Cc1cccc(Br)c1)C(=O)N1CCC[N@H+](C)CC1 ZINC000607331443 565982395 /nfs/dbraw/zinc/98/23/95/565982395.db2.gz AYCJDRCYODTHCD-MRXNPFEDSA-N 1 0 383.330 2.808 20 0 GFADRO Cc1cc(Cl)c(C)c(S(=O)(=O)NC[C@@H](C)N2CC[NH+](C)CC2)c1Cl ZINC000607362542 565983911 /nfs/dbraw/zinc/98/39/11/565983911.db2.gz USRKIFNYPAVDKT-GFCCVEGCSA-N 1 0 394.368 2.524 20 0 GFADRO O=C(COc1ccccc1Br)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000677859602 565985403 /nfs/dbraw/zinc/98/54/03/565985403.db2.gz BZIDKSKINITJPZ-OAHLLOKOSA-N 1 0 397.313 2.541 20 0 GFADRO O=S(=O)(N[C@H]1CC[NH2+]C12CCC2)c1ccc(C(F)(F)C(F)(F)F)cc1 ZINC000631954779 565985575 /nfs/dbraw/zinc/98/55/75/565985575.db2.gz WOEVYZBCOGFUGK-LBPRGKRZSA-N 1 0 384.370 2.904 20 0 GFADRO CC[C@@H]([NH2+]Cc1cc(=O)n2cc(Br)ccc2n1)[C@H]1CCCCO1 ZINC000653876179 565986148 /nfs/dbraw/zinc/98/61/48/565986148.db2.gz CDNCJLZWJGNTLU-HUUCEWRRSA-N 1 0 380.286 2.894 20 0 GFADRO COc1ccc(Br)cc1C(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000607649363 565987144 /nfs/dbraw/zinc/98/71/44/565987144.db2.gz BHKHRMOYNKCKAQ-UHFFFAOYSA-N 1 0 385.302 2.641 20 0 GFADRO C[C@@H]1CN(C(=O)Cc2ccc(Br)c(Cl)c2)C[C@H](C)[N@H+]1CCO ZINC000653886938 565987435 /nfs/dbraw/zinc/98/74/35/565987435.db2.gz DBWYWKWRNVKKNU-TXEJJXNPSA-N 1 0 389.721 2.559 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)c2cc(=O)[nH]c3ccc(Br)cc32)CC[N@@H+]1C ZINC000607689118 565987539 /nfs/dbraw/zinc/98/75/39/565987539.db2.gz KPBJACLKQXPJOK-ZYHUDNBSSA-N 1 0 378.270 2.915 20 0 GFADRO COc1ccc(Br)c(S(=O)(=O)N[C@H]2CC[NH2+]CC(C)(C)C2)c1 ZINC000631979507 565988230 /nfs/dbraw/zinc/98/82/30/565988230.db2.gz UEUBJBHVSMSKEX-NSHDSACASA-N 1 0 391.331 2.514 20 0 GFADRO C[N@@H+]1CCC[C@@H](CNS(=O)(=O)CCC[NH+]2CCCC2)[C@@H]1c1cccs1 ZINC000632027792 565992362 /nfs/dbraw/zinc/99/23/62/565992362.db2.gz NQYXZBYFWIYHJY-FUHWJXTLSA-N 1 0 385.599 2.536 20 0 GFADRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)[C@H]2CC(=O)N(c3cc(Cl)cc(Cl)c3)C2)C1 ZINC000654067796 565995076 /nfs/dbraw/zinc/99/50/76/565995076.db2.gz BYKFNAJKSJCJGR-SLEUVZQESA-N 1 0 384.307 2.803 20 0 GFADRO CC[NH+]1CCC(CNC(=O)N[C@@H](CO)c2ccc(Br)cc2)CC1 ZINC000678111142 566000250 /nfs/dbraw/zinc/00/02/50/566000250.db2.gz WUVLXRGWLAPBMN-INIZCTEOSA-N 1 0 384.318 2.514 20 0 GFADRO C[NH+](C)CCC1CCN(S(=O)(=O)c2cscc2Br)CC1 ZINC000632185048 566008161 /nfs/dbraw/zinc/00/81/61/566008161.db2.gz QVGFNGRMGVZTLJ-UHFFFAOYSA-N 1 0 381.361 2.863 20 0 GFADRO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)N1CCOc2cccc(Br)c2C1 ZINC000654451852 566009477 /nfs/dbraw/zinc/00/94/77/566009477.db2.gz JHGZEZZJDLSAER-CQSZACIVSA-N 1 0 394.313 2.837 20 0 GFADRO Cn1ccc(N2CCC[C@@H]([NH2+][C@@H]3CCc4cc(Br)ccc43)C2=O)n1 ZINC000608372773 566011782 /nfs/dbraw/zinc/01/17/82/566011782.db2.gz UEKPNHQLJNKKKO-HZPDHXFCSA-N 1 0 389.297 2.955 20 0 GFADRO C[NH+](C)CCn1ccc(C(=O)NC(C)(C)c2ccc(Br)cc2)n1 ZINC000654506785 566012841 /nfs/dbraw/zinc/01/28/41/566012841.db2.gz GHUITGHRIOSXHM-UHFFFAOYSA-N 1 0 379.302 2.872 20 0 GFADRO CNC(=O)c1cc(NC(=O)C2CC[NH+]([C@H]3CCSC3)CC2)ccc1Cl ZINC000654548029 566013541 /nfs/dbraw/zinc/01/35/41/566013541.db2.gz OSSMVYKYVVHOFS-AWEZNQCLSA-N 1 0 381.929 2.856 20 0 GFADRO CCn1cnnc1CC[NH2+][C@H](C)CC(=O)Nc1ccc(Br)cc1 ZINC000678586752 566013834 /nfs/dbraw/zinc/01/38/34/566013834.db2.gz CYVBHBKSJLSOKJ-GFCCVEGCSA-N 1 0 380.290 2.610 20 0 GFADRO CCC(CC)[C@H](CNS(=O)(=O)Cc1ncsc1Br)[NH+](C)C ZINC000632253725 566014630 /nfs/dbraw/zinc/01/46/30/566014630.db2.gz ADHWQBCEXIVRNW-LBPRGKRZSA-N 1 0 398.392 2.691 20 0 GFADRO O=C(NCCCCn1cc(Br)cn1)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000654550062 566015097 /nfs/dbraw/zinc/01/50/97/566015097.db2.gz GCOYOMHAAYCQMO-HZPDHXFCSA-N 1 0 398.349 2.742 20 0 GFADRO C[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(Br)c3ccccc23)C1 ZINC000678667033 566016026 /nfs/dbraw/zinc/01/60/26/566016026.db2.gz BXBMJRATJQTWOB-GFCCVEGCSA-N 1 0 390.281 2.751 20 0 GFADRO C[C@@H]([NH2+]C[C@@H](O)COC[C@@H]1CCCO1)c1ccc(F)c(Br)c1 ZINC000678768197 566019464 /nfs/dbraw/zinc/01/94/64/566019464.db2.gz GBKMKNJGLICPEA-BNOWGMLFSA-N 1 0 376.266 2.795 20 0 GFADRO C[C@@H]([NH2+]C[C@@H](O)COC[C@H]1CCCO1)c1ccc(F)c(Br)c1 ZINC000678768199 566019651 /nfs/dbraw/zinc/01/96/51/566019651.db2.gz GBKMKNJGLICPEA-MRVWCRGKSA-N 1 0 376.266 2.795 20 0 GFADRO C[C@H](C[NH2+][C@H]1CCN(C2CCOCC2)C1=O)c1cccc(Br)c1 ZINC000678936611 566025221 /nfs/dbraw/zinc/02/52/21/566025221.db2.gz SNNDFIAORHOOOX-DYVFJYSZSA-N 1 0 381.314 2.922 20 0 GFADRO CC(C)CS(=O)(=O)N1CCC([NH2+]Cc2ncccc2C(F)(F)F)CC1 ZINC000679027491 566027762 /nfs/dbraw/zinc/02/77/62/566027762.db2.gz DKUMTBVATOYVEI-UHFFFAOYSA-N 1 0 379.448 2.640 20 0 GFADRO Cc1ccc(NC(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)c(Br)c1 ZINC000654945739 566031196 /nfs/dbraw/zinc/03/11/96/566031196.db2.gz GCSHDTNKHFOMOK-CVEARBPZSA-N 1 0 394.313 2.829 20 0 GFADRO C[C@@H](CNC(=O)c1ccc(I)c(F)c1)[NH+]1CCCC1 ZINC000609188113 566032794 /nfs/dbraw/zinc/03/27/94/566032794.db2.gz QQLRFYJJMBUJOD-JTQLQIEISA-N 1 0 376.213 2.644 20 0 GFADRO C[C@@H](NC(=O)c1ccc(I)c(F)c1)C1CC[NH+](C)CC1 ZINC000609213898 566033475 /nfs/dbraw/zinc/03/34/75/566033475.db2.gz LHFCNYXTSHNEOZ-SNVBAGLBSA-N 1 0 390.240 2.890 20 0 GFADRO NC(=O)c1ccc(C[NH2+][C@H](c2ccc(Br)cc2)[C@@H]2CCCO2)cn1 ZINC000679347734 566037935 /nfs/dbraw/zinc/03/79/35/566037935.db2.gz PZCUBUHAUZRFCO-DLBZAZTESA-N 1 0 390.281 2.953 20 0 GFADRO Cc1ccc(C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)cc1I ZINC000609382731 566038311 /nfs/dbraw/zinc/03/83/11/566038311.db2.gz DEFVSJCWAFSLBN-AWEZNQCLSA-N 1 0 384.261 2.814 20 0 GFADRO CN1CCN(S(=O)(=O)c2cnccc2C(F)(F)F)CC12CCCCC2 ZINC000632534318 566043334 /nfs/dbraw/zinc/04/33/34/566043334.db2.gz SVDHQNLRWUUBJD-UHFFFAOYSA-N 1 0 377.432 2.739 20 0 GFADRO COc1ccsc1S(=O)(=O)NC[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000632616662 566051334 /nfs/dbraw/zinc/05/13/34/566051334.db2.gz HDKLGSHLXLNPSV-ZBFHGGJFSA-N 1 0 380.535 2.803 20 0 GFADRO O=C(N[C@H](CCO)c1ccccc1Br)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000679782272 566053755 /nfs/dbraw/zinc/05/37/55/566053755.db2.gz WVAYDUBUEGXJKI-WMLDXEAASA-N 1 0 396.329 2.656 20 0 GFADRO Cc1c(Br)cccc1CS(=O)(=O)NC1CC[NH+](C2CC2)CC1 ZINC000655469527 566058587 /nfs/dbraw/zinc/05/85/87/566058587.db2.gz ORDTYXKOTXQSDR-UHFFFAOYSA-N 1 0 387.343 2.804 20 0 GFADRO O=C(N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000655472756 566058721 /nfs/dbraw/zinc/05/87/21/566058721.db2.gz ZYRCKMSWYFUEEE-DWQUBVKVSA-N 1 0 382.291 2.605 20 0 GFADRO Cc1c(Br)cccc1CS(=O)(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000655477533 566058887 /nfs/dbraw/zinc/05/88/87/566058887.db2.gz POXFJUATTZCNRM-JKSUJKDBSA-N 1 0 387.343 2.804 20 0 GFADRO [NH3+]C[C@H](NC(=O)CCOc1ccc(Cl)cc1Br)C(F)(F)F ZINC000655510001 566062337 /nfs/dbraw/zinc/06/23/37/566062337.db2.gz KJMWJYITFJARKN-JTQLQIEISA-N 1 0 389.599 2.877 20 0 GFADRO CC(C)c1nc(C(=O)N[C@@H](C[NH3+])C(F)(F)F)nn1-c1ccccc1Cl ZINC000655511791 566063009 /nfs/dbraw/zinc/06/30/09/566063009.db2.gz LFLMOQVPJHONIN-NSHDSACASA-N 1 0 375.782 2.664 20 0 GFADRO Cc1cc(S(=O)(=O)N2CCC(OCC[NH+]3CCCC3)CC2)ccc1Cl ZINC000655528735 566063984 /nfs/dbraw/zinc/06/39/84/566063984.db2.gz KXMLSLQDUIYBPU-UHFFFAOYSA-N 1 0 386.945 2.914 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)CC1CC[NH+](C)CC1 ZINC000680354995 566067098 /nfs/dbraw/zinc/06/70/98/566067098.db2.gz XOKROEQQPFKUMT-UHFFFAOYSA-N 1 0 396.329 2.886 20 0 GFADRO O=C(c1cnn(-c2cccc(Br)c2)c1)N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000632860780 566071331 /nfs/dbraw/zinc/07/13/31/566071331.db2.gz MSSQFOPTQPAORJ-DYVFJYSZSA-N 1 0 389.297 2.849 20 0 GFADRO COCC[N@H+](C)CCCNC(=O)Nc1nc(-c2cccc(Cl)c2)ns1 ZINC000680487214 566072052 /nfs/dbraw/zinc/07/20/52/566072052.db2.gz VNRVUUQOVNLJNH-UHFFFAOYSA-N 1 0 383.905 2.948 20 0 GFADRO O=C(c1cnn(-c2ccc(Br)cc2)c1)N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000632861516 566072356 /nfs/dbraw/zinc/07/23/56/566072356.db2.gz SFNGUFJHNICVMR-DYVFJYSZSA-N 1 0 389.297 2.849 20 0 GFADRO C[N@@H+]1CCC[C@@H](NC(=O)NC(C)(C)COc2ncc(Cl)cc2Cl)C1 ZINC000680498942 566073192 /nfs/dbraw/zinc/07/31/92/566073192.db2.gz CUXZFMPJCSIGAG-GFCCVEGCSA-N 1 0 375.300 2.939 20 0 GFADRO C[NH+](C)[C@H]1C[C@@H](CNS(=O)(=O)Cc2cc(Cl)ccc2Br)C1 ZINC000655632283 566074596 /nfs/dbraw/zinc/07/45/96/566074596.db2.gz IJJWIDCPRTVJLL-GSJFWJNXSA-N 1 0 395.750 2.862 20 0 GFADRO O=C(Nc1cnn(-c2ccccc2Br)c1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000632946318 566076190 /nfs/dbraw/zinc/07/61/90/566076190.db2.gz MMYDJQVSRUHXOL-TXEJJXNPSA-N 1 0 376.258 2.603 20 0 GFADRO O=C(Nc1ccc(Cl)cc1OCC(F)F)N1CCC([NH2+]CCO)CC1 ZINC000632946669 566076275 /nfs/dbraw/zinc/07/62/75/566076275.db2.gz PTPMJQSDBSTKAL-UHFFFAOYSA-N 1 0 377.819 2.562 20 0 GFADRO Cc1ccc(-c2csc(NC(=O)C(=O)N[C@H]3CC[C@H](C[NH3+])CC3)n2)s1 ZINC000633036608 566080531 /nfs/dbraw/zinc/08/05/31/566080531.db2.gz MBLWEZWBMSVUNJ-HAQNSBGRSA-N 1 0 378.523 2.752 20 0 GFADRO C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)Nc1cccc(Cl)c1SCC(F)F ZINC000633040363 566080684 /nfs/dbraw/zinc/08/06/84/566080684.db2.gz XBBRNGZHDXAVAN-BDAKNGLRSA-N 1 0 377.844 2.584 20 0 GFADRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1cc(Br)c2nccn2c1 ZINC000633065774 566083017 /nfs/dbraw/zinc/08/30/17/566083017.db2.gz RDJDHHWQRLVICJ-SWLSCSKDSA-N 1 0 377.286 2.796 20 0 GFADRO O=C(CNC1CC[NH+](C[C@H]2CCCO2)CC1)Nc1ccc(Br)cc1 ZINC000655701041 566083132 /nfs/dbraw/zinc/08/31/32/566083132.db2.gz PLKTZLAEEQSQTR-QGZVFWFLSA-N 1 0 396.329 2.621 20 0 GFADRO Cc1nn(-c2cccc(Br)c2)cc1C[NH2+][C@@H]1CCCS(=O)(=O)C1 ZINC000655738693 566086001 /nfs/dbraw/zinc/08/60/01/566086001.db2.gz PQHJHQXGNPONLP-OAHLLOKOSA-N 1 0 398.326 2.610 20 0 GFADRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1cn(-c2cccc(Br)c2)nc1C ZINC000655754995 566086894 /nfs/dbraw/zinc/08/68/94/566086894.db2.gz ZWQIPTPCFIEPLR-SJORKVTESA-N 1 0 391.313 2.948 20 0 GFADRO OC[C@@H](C[NH2+]Cc1cc2n(n1)CCCC2)Cc1ccccc1Br ZINC000655766117 566087246 /nfs/dbraw/zinc/08/72/46/566087246.db2.gz MRSLDNUXHORLNR-CQSZACIVSA-N 1 0 378.314 2.923 20 0 GFADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)CCn1cc(Br)cn1 ZINC000680910284 566087837 /nfs/dbraw/zinc/08/78/37/566087837.db2.gz PUKSUNBVEKCALE-PBHICJAKSA-N 1 0 391.313 2.672 20 0 GFADRO Cc1nn(-c2cccc(Br)c2)cc1C[NH2+]C[C@@H](CO)[C@@H]1CCOC1 ZINC000655768306 566088257 /nfs/dbraw/zinc/08/82/57/566088257.db2.gz UUOXUBSGZKUASX-ZBFHGGJFSA-N 1 0 394.313 2.678 20 0 GFADRO [NH3+]C[C@H](NC(=O)NCC1(c2ccc(Cl)cc2)CCOCC1)C(F)(F)F ZINC000655915645 566094778 /nfs/dbraw/zinc/09/47/78/566094778.db2.gz WXWHLDUNBTWWMC-ZDUSSCGKSA-N 1 0 379.810 2.577 20 0 GFADRO [NH3+]C[C@H](NC(=O)NCC1(c2ccccc2Cl)CCOCC1)C(F)(F)F ZINC000655915621 566095672 /nfs/dbraw/zinc/09/56/72/566095672.db2.gz OPUVCBFCMYWJPP-ZDUSSCGKSA-N 1 0 379.810 2.577 20 0 GFADRO Cc1cc(Br)c2c(c1)CN(C(=O)N[C@@H](C[NH3+])C(F)(F)F)CC2 ZINC000655924601 566096272 /nfs/dbraw/zinc/09/62/72/566096272.db2.gz MOYKEEXKUPHFPQ-LBPRGKRZSA-N 1 0 380.208 2.715 20 0 GFADRO [NH3+]C[C@@H](NC(=O)NC[C@H](OCC1CC1)c1ccc(Cl)cc1)C(F)(F)F ZINC000655926544 566097073 /nfs/dbraw/zinc/09/70/73/566097073.db2.gz FBCYYSQZSXEOGH-UONOGXRCSA-N 1 0 379.810 2.997 20 0 GFADRO C[C@@H](NC(=O)c1c(F)cccc1I)C1CC[NH+](C)CC1 ZINC000610758624 566097334 /nfs/dbraw/zinc/09/73/34/566097334.db2.gz XPNZYLFXONVRCF-SNVBAGLBSA-N 1 0 390.240 2.890 20 0 GFADRO CC(C)c1cc(Br)ccc1NC(=O)C(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000655958964 566098666 /nfs/dbraw/zinc/09/86/66/566098666.db2.gz QYDIPDPFTNQSBS-LLVKDONJSA-N 1 0 396.207 2.517 20 0 GFADRO Cc1c(Br)cccc1CS(=O)(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000655950910 566099285 /nfs/dbraw/zinc/09/92/85/566099285.db2.gz BFZQRKLILXIXJW-ZDUSSCGKSA-N 1 0 375.332 2.648 20 0 GFADRO Cc1c(Br)cccc1CS(=O)(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000655950770 566099493 /nfs/dbraw/zinc/09/94/93/566099493.db2.gz PZMWNIRQYBGDQN-LBPRGKRZSA-N 1 0 375.332 2.647 20 0 GFADRO CC[C@@H]([NH2+]C[C@H]1CN(C)CCN1C)c1ccc(I)cc1 ZINC000610815021 566101188 /nfs/dbraw/zinc/10/11/88/566101188.db2.gz IXKNGSDYQYDGEU-JKSUJKDBSA-N 1 0 387.309 2.578 20 0 GFADRO C[C@H](NC(=O)C(=O)NCCCc1c(Cl)cccc1Cl)[C@@H]1CCC[NH2+]C1 ZINC000656019773 566101443 /nfs/dbraw/zinc/10/14/43/566101443.db2.gz JGAJTVKIHSGJIX-QWHCGFSZSA-N 1 0 386.323 2.547 20 0 GFADRO [NH3+]CC[C@H]1CCCN(C(=O)C(=O)NCCCc2c(Cl)cccc2Cl)C1 ZINC000656030492 566102093 /nfs/dbraw/zinc/10/20/93/566102093.db2.gz UKXKNXXVMOODTK-CYBMUJFWSA-N 1 0 386.323 2.630 20 0 GFADRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)Nc3ccc(Br)cc3)CC2)C1 ZINC000681371183 566104084 /nfs/dbraw/zinc/10/40/84/566104084.db2.gz IKTGKSZRJXKEID-MRXNPFEDSA-N 1 0 381.318 2.693 20 0 GFADRO O=C(Cc1cscc1Br)N1CCc2[nH]cnc2C12CCOCC2 ZINC000633528121 566108164 /nfs/dbraw/zinc/10/81/64/566108164.db2.gz PABWLNQGUVGYFL-UHFFFAOYSA-N 1 0 396.310 2.867 20 0 GFADRO CNC(=O)C1CC[NH+](Cc2cn(-c3cccc(Br)c3)nc2C)CC1 ZINC000656247656 566115340 /nfs/dbraw/zinc/11/53/40/566115340.db2.gz ALQIVFFTQWKEAP-UHFFFAOYSA-N 1 0 391.313 2.901 20 0 GFADRO Cc1nn(-c2ccccc2Br)cc1C[NH2+]C1(CC(N)=O)CCC1 ZINC000656256573 566119131 /nfs/dbraw/zinc/11/91/31/566119131.db2.gz VVJPQJFVIWGBLO-UHFFFAOYSA-N 1 0 377.286 2.831 20 0 GFADRO Cc1nn(-c2cccc(Br)c2)cc1C[N@@H+](CCO)[C@H]1CCO[C@@H]1C ZINC000656261425 566120437 /nfs/dbraw/zinc/12/04/37/566120437.db2.gz AQPLNIXDTYCCNE-KDOFPFPSSA-N 1 0 394.313 2.915 20 0 GFADRO O[C@@H]1C[C@H]2CN(Cc3ccc(OC(F)(F)F)c(Br)c3)CC[N@@H+]2C1 ZINC000656273311 566122601 /nfs/dbraw/zinc/12/26/01/566122601.db2.gz CCGHSQSLBSLPPE-NWDGAFQWSA-N 1 0 395.219 2.599 20 0 GFADRO CC[N@H+](C[C@@H](O)COc1ccc(Cl)c(Cl)c1)C[C@H](O)C(F)(F)F ZINC000681699311 566123579 /nfs/dbraw/zinc/12/35/79/566123579.db2.gz VSSPSULLFDNUDB-RNCFNFMXSA-N 1 0 376.202 2.978 20 0 GFADRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)c1nn(C)cc1Br ZINC000633802861 566125725 /nfs/dbraw/zinc/12/57/25/566125725.db2.gz KXIJUPDFRPPWNU-DZGCQCFKSA-N 1 0 391.313 2.681 20 0 GFADRO CCOc1cc(CN2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)cc(Br)c1O ZINC000656432625 566126253 /nfs/dbraw/zinc/12/62/53/566126253.db2.gz YKRGXFRHZUWYJF-CVEARBPZSA-N 1 0 399.329 2.584 20 0 GFADRO C[NH+](C)C[C@@H]1CCCCN1C(=O)c1cnc2ncc(Br)cc2c1 ZINC000681986773 566136044 /nfs/dbraw/zinc/13/60/44/566136044.db2.gz CZCPWFZESBCGEH-HNNXBMFYSA-N 1 0 377.286 2.949 20 0 GFADRO CC1(C)CN(C(=O)CCCc2ccccc2Br)CC[N@@H+]1CCO ZINC000682006532 566139337 /nfs/dbraw/zinc/13/93/37/566139337.db2.gz MIDAOIKVZSPXQB-UHFFFAOYSA-N 1 0 383.330 2.687 20 0 GFADRO CC[NH+]1CCN(CC(=O)Nc2ccc(Br)c(OC(C)C)c2)CC1 ZINC000634057698 566141708 /nfs/dbraw/zinc/14/17/08/566141708.db2.gz WSARNBQTROOXOW-UHFFFAOYSA-N 1 0 384.318 2.812 20 0 GFADRO CC[C@@H]([NH2+]CC(=O)N1CCN(C)CC1)c1ccc(Br)cc1Cl ZINC000682133002 566145517 /nfs/dbraw/zinc/14/55/17/566145517.db2.gz QCJCPNRPKQNUSQ-OAHLLOKOSA-N 1 0 388.737 2.917 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)C(=O)N[C@H](C)C1CC[NH+](C)CC1 ZINC000682193307 566147154 /nfs/dbraw/zinc/14/71/54/566147154.db2.gz RNLYTQDAUBPUNE-GFCCVEGCSA-N 1 0 382.302 2.543 20 0 GFADRO Cc1oc(Br)cc1C(=O)Nc1cc(N2CC[NH+](C)CC2)ccn1 ZINC000634193736 566148877 /nfs/dbraw/zinc/14/88/77/566148877.db2.gz GUKGHOUVGIOPCK-UHFFFAOYSA-N 1 0 379.258 2.750 20 0 GFADRO CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)Nc1cc(C)cc(Br)c1 ZINC000682273689 566148940 /nfs/dbraw/zinc/14/89/40/566148940.db2.gz NGSOXPOVHMBRTJ-CQSZACIVSA-N 1 0 382.302 2.687 20 0 GFADRO CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)Nc2ccc(F)cc2Br)C1 ZINC000682352211 566149877 /nfs/dbraw/zinc/14/98/77/566149877.db2.gz MMLKRPQSPOEJEC-GFCCVEGCSA-N 1 0 386.265 2.516 20 0 GFADRO COc1ccc(CCC(=O)NCC[NH+]2CCC(OC)CC2)c(Br)c1 ZINC000612055901 566150252 /nfs/dbraw/zinc/15/02/52/566150252.db2.gz DSZYBDUZPFQVQD-UHFFFAOYSA-N 1 0 399.329 2.617 20 0 GFADRO Cc1cccc(C[N@@H+]2CC[C@@H](NC(=O)c3cc[nH]c(=O)c3Br)C2)c1 ZINC000634278068 566151522 /nfs/dbraw/zinc/15/15/22/566151522.db2.gz SVUZUCAHDCYTPD-CQSZACIVSA-N 1 0 390.281 2.862 20 0 GFADRO Cc1cccc(C[N@@H+]2CC[C@@H](NC(=O)c3c[nH]c(=O)c(Br)c3)C2)c1 ZINC000634272847 566151846 /nfs/dbraw/zinc/15/18/46/566151846.db2.gz IADIEEFVWNZZDP-OAHLLOKOSA-N 1 0 390.281 2.862 20 0 GFADRO COCC1(C2CCC2)C[NH+](C[C@@H](O)COc2cccc(Br)c2)C1 ZINC000656705953 566156162 /nfs/dbraw/zinc/15/61/62/566156162.db2.gz MFMCHRJHIKHACB-MRXNPFEDSA-N 1 0 384.314 2.937 20 0 GFADRO CC(C)[N@@H+](Cc1ccc(Br)cc1)C[C@H](O)CC1(O)CCOCC1 ZINC000634643911 566163119 /nfs/dbraw/zinc/16/31/19/566163119.db2.gz KVUAOGKGDKQUHW-QGZVFWFLSA-N 1 0 386.330 2.952 20 0 GFADRO CC(=O)NCC1CC[NH+](C[C@@H](O)COc2cc(Cl)cc(Cl)c2)CC1 ZINC000634643544 566163558 /nfs/dbraw/zinc/16/35/58/566163558.db2.gz DNHDYAVDYNROSZ-MRXNPFEDSA-N 1 0 375.296 2.581 20 0 GFADRO Brc1c[nH+]c(NCc2cn(C3CCC3)nn2)cc1N1CCOCC1 ZINC000656776673 566165122 /nfs/dbraw/zinc/16/51/22/566165122.db2.gz OMUGPVVDYXWDDU-UHFFFAOYSA-N 1 0 393.289 2.609 20 0 GFADRO Brc1c[nH+]c(NCc2ccnn2CC2CC2)cc1N1CCOCC1 ZINC000656776640 566165196 /nfs/dbraw/zinc/16/51/96/566165196.db2.gz MMPGNOKXPQGCSW-UHFFFAOYSA-N 1 0 392.301 2.899 20 0 GFADRO CC(C)[C@H](C[NH2+][C@H](C(N)=O)c1cccc(Br)c1)c1ccnn1C ZINC000682612502 566165543 /nfs/dbraw/zinc/16/55/43/566165543.db2.gz CMANSNGSAULHRR-HOCLYGCPSA-N 1 0 379.302 2.738 20 0 GFADRO COc1ccccc1N(C1CC[NH+](C)CC1)S(=O)(=O)c1cc(C)ns1 ZINC000634657572 566166082 /nfs/dbraw/zinc/16/60/82/566166082.db2.gz RAQISBKMTUOYKF-UHFFFAOYSA-N 1 0 381.523 2.750 20 0 GFADRO CC(C)(Oc1ccc(Br)cc1)C(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000612659257 566170252 /nfs/dbraw/zinc/17/02/52/566170252.db2.gz NOKMANLTIUPATO-HNNXBMFYSA-N 1 0 399.329 2.570 20 0 GFADRO O[C@@H](C[NH2+]CCOc1c(Cl)cc(Cl)cc1Cl)CC1(O)CCOCC1 ZINC000634708027 566170756 /nfs/dbraw/zinc/17/07/56/566170756.db2.gz PFZJXARUOWJJPK-GFCCVEGCSA-N 1 0 398.714 2.908 20 0 GFADRO COCC[C@H]([NH2+]C[C@@H](O)CC1(O)CCOCC1)c1ccc(Cl)c(Cl)c1 ZINC000634714032 566172404 /nfs/dbraw/zinc/17/24/04/566172404.db2.gz FFUKUSBJJQVDPL-YOEHRIQHSA-N 1 0 392.323 2.953 20 0 GFADRO Cc1ccc(C(=O)NCCCC[NH+]2CCN(C)CC2)c(C)c1Br ZINC000682862134 566172736 /nfs/dbraw/zinc/17/27/36/566172736.db2.gz NTRLGFKWQVZVEX-UHFFFAOYSA-N 1 0 382.346 2.823 20 0 GFADRO Cc1noc([C@@H]2OCC[C@@H]2[NH2+]C[C@H](O)COc2cc(Cl)cc(Cl)c2)n1 ZINC000634722849 566173222 /nfs/dbraw/zinc/17/32/22/566173222.db2.gz VVKHZTIIVSVOSS-AEGPPILISA-N 1 0 388.251 2.544 20 0 GFADRO Cc1ccc(C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)c(C)c1Br ZINC000682915683 566177033 /nfs/dbraw/zinc/17/70/33/566177033.db2.gz VLXOPARYAVNNJT-OAHLLOKOSA-N 1 0 381.314 2.860 20 0 GFADRO O=C(N[C@@H]1CC12CC[NH2+]CC2)N1CCOC[C@H]1c1ccc(Br)cc1 ZINC000612996155 566182463 /nfs/dbraw/zinc/18/24/63/566182463.db2.gz OIHNWJQKOBXSIX-JKSUJKDBSA-N 1 0 394.313 2.674 20 0 GFADRO C[C@@H](C[NH2+][C@H]1CCCS(=O)(=O)CC1)Oc1ccccc1Br ZINC000634967421 566185772 /nfs/dbraw/zinc/18/57/72/566185772.db2.gz OAMASWTWVOYLNK-STQMWFEESA-N 1 0 376.316 2.773 20 0 GFADRO Cc1nn(C)c(N2CCOCC2)c1C[NH2+]Cc1ccc(C)c(Br)c1 ZINC000634990716 566188204 /nfs/dbraw/zinc/18/82/04/566188204.db2.gz ZJZRBRLAAGBOLL-UHFFFAOYSA-N 1 0 393.329 2.926 20 0 GFADRO C[NH+](C)C[C@H]1CN(C(=O)c2ncc(Br)s2)c2ccccc2O1 ZINC000683410896 566199067 /nfs/dbraw/zinc/19/90/67/566199067.db2.gz CBODCSMTUJFTBK-JTQLQIEISA-N 1 0 382.283 2.875 20 0 GFADRO C[N@@H+]1CC[C@H](CC(=O)N2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)C1 ZINC000635279167 566203388 /nfs/dbraw/zinc/20/33/88/566203388.db2.gz MSZRZVLZMVVMOC-CYBMUJFWSA-N 1 0 384.307 2.620 20 0 GFADRO Cc1cc(Cl)ccc1S(=O)(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000657040032 566211623 /nfs/dbraw/zinc/21/16/23/566211623.db2.gz LDHKDQYRNHURKD-UHFFFAOYSA-N 1 0 386.945 2.818 20 0 GFADRO O=S(=O)(NCC1CC[NH+](C2CCOCC2)CC1)c1ccc(F)cc1Cl ZINC000657041273 566211832 /nfs/dbraw/zinc/21/18/32/566211832.db2.gz VPGMJDIOMSBXRT-UHFFFAOYSA-N 1 0 390.908 2.648 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CNC(=O)[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000635462269 566214874 /nfs/dbraw/zinc/21/48/74/566214874.db2.gz OOGFNAUDJGKGHC-INIZCTEOSA-N 1 0 394.313 2.829 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@@H](NS(=O)(=O)c2ccc(F)cc2Br)C1 ZINC000657061817 566215545 /nfs/dbraw/zinc/21/55/45/566215545.db2.gz PHOCMGABMJFRFW-LLVKDONJSA-N 1 0 379.295 2.739 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@H](NS(=O)(=O)Cc2cccc(Br)c2)C1 ZINC000657062122 566216100 /nfs/dbraw/zinc/21/61/00/566216100.db2.gz PTKVXEDNRJBPHW-AWEZNQCLSA-N 1 0 375.332 2.741 20 0 GFADRO COc1cc(C(F)(F)F)cc(S(=O)(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)c1 ZINC000657062858 566216160 /nfs/dbraw/zinc/21/61/60/566216160.db2.gz URZCAMHMIZIRLD-LBPRGKRZSA-N 1 0 380.432 2.865 20 0 GFADRO C[C@@H](CN(C)CCC[NH+](C)C)NS(=O)(=O)Cc1cc(Cl)cc(Cl)c1 ZINC000657071593 566218121 /nfs/dbraw/zinc/21/81/21/566218121.db2.gz RVHYAAPFQZVFAP-ZDUSSCGKSA-N 1 0 396.384 2.685 20 0 GFADRO Cc1c(Br)c2ccccc2n1CC(=O)N1CCC2(C[NH+](C)C2)C1 ZINC000683907626 566218601 /nfs/dbraw/zinc/21/86/01/566218601.db2.gz NAXXVDZRXSTWKK-UHFFFAOYSA-N 1 0 376.298 2.876 20 0 GFADRO CC(C)(C[NH+]1CCOCC1)C(=O)N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000635633658 566220626 /nfs/dbraw/zinc/22/06/26/566220626.db2.gz YUAZOIRIDYPZOF-GHMZBOCLSA-N 1 0 376.341 2.544 20 0 GFADRO CCCOc1ccc(Br)cc1S(=O)(=O)NCC[C@H](C)[NH+](C)C ZINC000657092372 566222277 /nfs/dbraw/zinc/22/22/77/566222277.db2.gz URFQFCFQSFNSLI-LBPRGKRZSA-N 1 0 393.347 2.856 20 0 GFADRO C[N@H+](CCN1CCCS1(=O)=O)[C@@H](c1ccc(Cl)cc1)C1CCOCC1 ZINC000684005974 566222476 /nfs/dbraw/zinc/22/24/76/566222476.db2.gz FLWVEUSICMUYOX-SFHVURJKSA-N 1 0 386.945 2.775 20 0 GFADRO Cc1c(Br)ccc(C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)c1F ZINC000684048748 566223535 /nfs/dbraw/zinc/22/35/35/566223535.db2.gz DDKWEYUOJOEZBN-ZDUSSCGKSA-N 1 0 398.320 2.795 20 0 GFADRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)N1CCOc2c(Br)cccc2C1 ZINC000684253513 566231045 /nfs/dbraw/zinc/23/10/45/566231045.db2.gz AUIQPNAOUKSMCW-HOTGVXAUSA-N 1 0 394.313 2.980 20 0 GFADRO Brc1cnn(CCCC[NH2+]Cc2ccccc2-n2cncn2)c1 ZINC000684408585 566235752 /nfs/dbraw/zinc/23/57/52/566235752.db2.gz AFAJUBMNZOKNJJ-UHFFFAOYSA-N 1 0 375.274 2.796 20 0 GFADRO O=C(CC[N@@H+]1CCC[C@H](Oc2ccccc2)C1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000737842958 598833953 /nfs/dbraw/zinc/83/39/53/598833953.db2.gz GAOFIYLIPDTPAV-IBGZPJMESA-N 1 0 392.463 2.739 20 0 GFADRO Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)n1C[N@@H+]1CC2C[C@@H]3CC1C[C@H](C2)C3 ZINC000737524529 598851772 /nfs/dbraw/zinc/85/17/72/598851772.db2.gz MSPOXIIOKDVHNS-JOUKPKRSSA-N 1 0 390.495 2.902 20 0 GFADRO C[C@@H](CC[NH+](C)C)NC(=O)NCc1cccc(-c2ccc(-c3nn[nH]n3)s2)c1 ZINC000735986961 598905975 /nfs/dbraw/zinc/90/59/75/598905975.db2.gz UVAHBPJGCXYWAI-ZDUSSCGKSA-N 1 0 399.524 2.735 20 0 GFADRO FC(F)(F)c1ccc(C[N@@H+]2CC[C@@H](Nc3ncccc3-c3nn[nH]n3)C2)cc1 ZINC000737635902 598915065 /nfs/dbraw/zinc/91/50/65/598915065.db2.gz PKBBFRNYATYFSW-CQSZACIVSA-N 1 0 389.385 2.967 20 0 GFADRO c1ccc2cc(CC[NH+]3CCN(c4ccc(-c5nn[nH]n5)cn4)CC3)ccc2c1 ZINC000738443038 598916244 /nfs/dbraw/zinc/91/62/44/598916244.db2.gz UKJIFSUVCXNASU-UHFFFAOYSA-N 1 0 385.475 2.780 20 0 GFADRO CCC[NH+]1CCC(N(C)C(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)CC1 ZINC000736481587 598932579 /nfs/dbraw/zinc/93/25/79/598932579.db2.gz WQDSLUKVDYAYIU-UHFFFAOYSA-N 1 0 377.880 2.858 20 0 GFADRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)c(C)c1 ZINC000737318358 598961146 /nfs/dbraw/zinc/96/11/46/598961146.db2.gz AGBNUOUVFMFCOH-HNAYVOBHSA-N 1 0 376.464 2.940 20 0 GFADRO Cc1ccc(-c2nn[nH]n2)cc1NC(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000737294457 598967140 /nfs/dbraw/zinc/96/71/40/598967140.db2.gz PATVNSQHVVSFNE-GOSISDBHSA-N 1 0 391.479 2.961 20 0 GFADRO Clc1ccc(CCC[NH+]2CCN(c3ncccc3-c3nn[nH]n3)CC2)cc1 ZINC000737576269 598981639 /nfs/dbraw/zinc/98/16/39/598981639.db2.gz OSUJZBMHUHZKAR-UHFFFAOYSA-N 1 0 383.887 2.670 20 0 GFADRO COc1ccc(OC)c([C@H](C)[NH2+]CCOc2ccc(-c3nn[nH]n3)cc2OC)c1 ZINC000737109757 598982109 /nfs/dbraw/zinc/98/21/09/598982109.db2.gz UERTXVDCUCKYTH-ZDUSSCGKSA-N 1 0 399.451 2.622 20 0 GFADRO CCCO[C@H]1CCC[N@H+](CCOc2ccc(-c3nn[nH]n3)cc2OC)CC1 ZINC000736488592 598985615 /nfs/dbraw/zinc/98/56/15/598985615.db2.gz PQRAATJHISPYJC-INIZCTEOSA-N 1 0 375.473 2.535 20 0 GFADRO COc1cc(-c2nn[nH]n2)ccc1OCC[N@H+](CCc1ccccc1)C1CC1 ZINC000737033845 598985622 /nfs/dbraw/zinc/98/56/22/598985622.db2.gz ZUGUNGAJHCYYSF-UHFFFAOYSA-N 1 0 379.464 2.961 20 0 GFADRO COc1cc(-c2nn[nH]n2)ccc1OCC[N@@H+]1CCC[C@@H](Oc2ccccc2)C1 ZINC000737032448 598987731 /nfs/dbraw/zinc/98/77/31/598987731.db2.gz KYZDVKVCTUIDBR-GOSISDBHSA-N 1 0 395.463 2.798 20 0 GFADRO CCO[C@H]1C[C@@H]([N@H+](C)CCC(=O)Nc2ccccc2-c2nn[nH]n2)C12CCCC2 ZINC000736608748 598994367 /nfs/dbraw/zinc/99/43/67/598994367.db2.gz DDXCMFIKPPARBT-MSOLQXFVSA-N 1 0 398.511 2.865 20 0 GFADRO CCCCN(C(=O)c1ccc(-c2nn[nH]n2)nc1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000736452399 599029382 /nfs/dbraw/zinc/02/93/82/599029382.db2.gz WJERQSKGRQERBT-UHFFFAOYSA-N 1 0 385.516 2.813 20 0 GFADRO CC1CCC([NH+]2CCN(CCCOc3ccc(-c4nn[nH]n4)cc3)CC2)CC1 ZINC000736238985 599082006 /nfs/dbraw/zinc/08/20/06/599082006.db2.gz FOHTWHGJYPOPMO-UHFFFAOYSA-N 1 0 384.528 2.832 20 0 GFADRO CC[N@H+](C)C[C@H]1CCN(c2cc(C)c(-c3nn[nH]n3)c3nc4ccccc4n32)C1 ZINC000821164545 599100298 /nfs/dbraw/zinc/10/02/98/599100298.db2.gz GXOYFFSDVFKZPB-OAHLLOKOSA-N 1 0 390.495 2.754 20 0 GFADRO CC[C@H](Cc1ccccc1)[N@H+](C)C[C@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000736352041 599145571 /nfs/dbraw/zinc/14/55/71/599145571.db2.gz RSLSFVHULAESDQ-MOPGFXCFSA-N 1 0 381.480 2.560 20 0 GFADRO C[NH+](C)CC[C@H](NC(=O)CSCc1ccc(-c2nn[nH]n2)cc1)C(C)(C)C ZINC000736758957 599164911 /nfs/dbraw/zinc/16/49/11/599164911.db2.gz LFZIXKFLTVDUBT-INIZCTEOSA-N 1 0 390.557 2.583 20 0 GFADRO C[C@H](CCSc1ccccc1)[NH+]1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1 ZINC000820248682 607264315 /nfs/dbraw/zinc/26/43/15/607264315.db2.gz MGUKVORFRZHFRI-MRXNPFEDSA-N 1 0 395.536 2.955 20 0 GFADRO CCOC(=O)CCCCC[NH+]1CCC(Oc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000736592477 599270535 /nfs/dbraw/zinc/27/05/35/599270535.db2.gz RFTHOCXYLYYRGP-UHFFFAOYSA-N 1 0 387.484 2.833 20 0 GFADRO CC(C)c1nc(CN(C)[C@@H]2CC[N@@H+]([C@H](C)c3ccc(-c4nn[nH]n4)cc3)C2)no1 ZINC000735940521 599287941 /nfs/dbraw/zinc/28/79/41/599287941.db2.gz PSOIFLKPUIYTNW-RHSMWYFYSA-N 1 0 396.499 2.640 20 0 GFADRO CCc1ccccc1C(=O)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000821491915 607321777 /nfs/dbraw/zinc/32/17/77/607321777.db2.gz CFLWWLGXLAQTJU-UHFFFAOYSA-N 1 0 390.491 2.777 20 0 GFADRO Fc1cc(-c2nn[nH]n2)ccc1NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000737641231 598238156 /nfs/dbraw/zinc/23/81/56/598238156.db2.gz VKZURVRKIHGVSU-UHFFFAOYSA-N 1 0 381.459 2.630 20 0 GFADRO O[C@H](C[NH2+][C@@H](c1ccc(F)cc1)C1CCC1)COc1ccc(-c2nn[nH]n2)cc1 ZINC000738382331 598248227 /nfs/dbraw/zinc/24/82/27/598248227.db2.gz OTGAUVYLUOQOGO-UYAOXDASSA-N 1 0 397.454 2.877 20 0 GFADRO C[C@H](CNC(=S)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)[NH+]1CCC(C)CC1 ZINC000736277306 598323751 /nfs/dbraw/zinc/32/37/51/598323751.db2.gz MCFOAYFBEBCGKR-GFCCVEGCSA-N 1 0 393.948 2.927 20 0 GFADRO O=C(CNc1ccc(-c2nn[nH]n2)cc1)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000737895351 598383298 /nfs/dbraw/zinc/38/32/98/598383298.db2.gz OVSGUFFTMZDFHZ-UHFFFAOYSA-N 1 0 391.479 2.556 20 0 GFADRO O[C@@H](c1ccc(F)cc1)C1CC[NH+](CCOc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000738385994 598507734 /nfs/dbraw/zinc/50/77/34/598507734.db2.gz KRFHQGPVJZQWJU-FQEVSTJZSA-N 1 0 397.454 2.830 20 0 GFADRO C[C@H]([NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1ccc(C(C)(C)C)cc1 ZINC000736134586 598523011 /nfs/dbraw/zinc/52/30/11/598523011.db2.gz KQNPYVCVJMQSAF-UONOGXRCSA-N 1 0 380.500 2.753 20 0 GFADRO CCC(CC)[C@@H]([NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1ccccc1 ZINC000736338612 598524450 /nfs/dbraw/zinc/52/44/50/598524450.db2.gz YYORELRRMQUASA-KBXCAEBGSA-N 1 0 380.500 2.872 20 0 GFADRO CC(C)Sc1ccc([C@@H](C)[NH2+]C[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)cc1 ZINC000735921335 598528877 /nfs/dbraw/zinc/52/88/77/598528877.db2.gz PHSZVULRUAIGPP-KGLIPLIRSA-N 1 0 398.540 2.956 20 0 GFADRO CCC[NH+](CCC)CCCNC(=O)c1c(C)oc(-n2cccc2)c1-c1nn[nH]n1 ZINC000736473845 598549727 /nfs/dbraw/zinc/54/97/27/598549727.db2.gz SWBNJUHANAWSJF-UHFFFAOYSA-N 1 0 399.499 2.801 20 0 GFADRO FC(F)(F)c1cc(N2CCN(c3cc[nH+]cc3)CC2)ccc1-c1nn[nH]n1 ZINC000737634108 598572112 /nfs/dbraw/zinc/57/21/12/598572112.db2.gz YFAFRMSVXXIHRO-UHFFFAOYSA-N 1 0 375.358 2.607 20 0 GFADRO Clc1ccc(NCC2([NH+]3CCSCC3)CCCC2)nc1-c1nn[nH]n1 ZINC000737574243 598575217 /nfs/dbraw/zinc/57/52/17/598575217.db2.gz NCKHDOWSDDMBEW-UHFFFAOYSA-N 1 0 379.921 2.689 20 0 GFADRO CC(C)(C)C[N@H+](CCCO)CCC(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000735605578 598616806 /nfs/dbraw/zinc/61/68/06/598616806.db2.gz YDPWHNOAJXTERT-UHFFFAOYSA-N 1 0 394.907 2.579 20 0 GFADRO C[NH+](C)[C@H]1CCN(C(=O)Nc2ccc(Oc3ccc(-c4nn[nH]n4)cc3)cc2)C1 ZINC000736756798 598623059 /nfs/dbraw/zinc/62/30/59/598623059.db2.gz LZWOPBNEYZYAHH-INIZCTEOSA-N 1 0 393.451 2.827 20 0 GFADRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)Nc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC000736225712 598625502 /nfs/dbraw/zinc/62/55/02/598625502.db2.gz RQSHRMLJUNQEMY-CHWSQXEVSA-N 1 0 389.479 2.884 20 0 GFADRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)Nc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC000736205673 598625682 /nfs/dbraw/zinc/62/56/82/598625682.db2.gz XNZNPUIFZQNHRC-BBRMVZONSA-N 1 0 395.442 2.963 20 0 GFADRO COc1ccc2c(c1)CCC[N@@H+](CCC(=O)Nc1cccc(-c3nn[nH]n3)c1)C2 ZINC000737119345 598685335 /nfs/dbraw/zinc/68/53/35/598685335.db2.gz PCJJZARRFBOLNZ-UHFFFAOYSA-N 1 0 392.463 2.652 20 0 GFADRO Cc1ccc(-c2nn[nH]n2)cc1NC(=O)NC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000737294884 598730074 /nfs/dbraw/zinc/73/00/74/598730074.db2.gz RZVMCTSTABUPNR-HNNXBMFYSA-N 1 0 379.468 2.817 20 0 GFADRO C[C@@H](NC(=O)NC[C@H](c1ccco1)[NH+]1CCCC1)c1cccc(-c2nn[nH]n2)c1 ZINC000820358389 599299242 /nfs/dbraw/zinc/29/92/42/599299242.db2.gz NEUUPJRAZMMIQG-RHSMWYFYSA-N 1 0 395.467 2.657 20 0 GFADRO Fc1cccc(N2CC[NH+](CCOC3CCCCCC3)CC2)c1-c1nn[nH]n1 ZINC000737661862 599363604 /nfs/dbraw/zinc/36/36/04/599363604.db2.gz QSVSBWFQEOXERO-UHFFFAOYSA-N 1 0 388.491 2.867 20 0 GFADRO C[C@@H]([NH2+]Cc1cccc(NC(=O)[C@@H]2CCCO2)c1)c1ccc(-c2nn[nH]n2)cc1 ZINC000820431837 599371801 /nfs/dbraw/zinc/37/18/01/599371801.db2.gz IPGORFUXHSYTDZ-KUHUBIRLSA-N 1 0 392.463 2.835 20 0 GFADRO Brc1ccc2ncc(C[NH2+]Cc3ccc(-c4nn[nH]n4)cc3)n2c1 ZINC000819689227 599405848 /nfs/dbraw/zinc/40/58/48/599405848.db2.gz YEQVZIUTVZSWCO-UHFFFAOYSA-N 1 0 384.241 2.567 20 0 GFADRO COc1ccccc1[C@H](CNc1cccc(-c2nn[nH]n2)n1)[NH+]1CCCCC1 ZINC000737141158 599415118 /nfs/dbraw/zinc/41/51/18/599415118.db2.gz HNSJLQPRHRQRGX-KRWDZBQOSA-N 1 0 379.468 2.909 20 0 GFADRO c1cc(-c2nn[nH]n2)oc1C[NH2+]C1CCN(c2nc3ccccc3s2)CC1 ZINC000823802705 599419051 /nfs/dbraw/zinc/41/90/51/599419051.db2.gz YYXJPCXUCWIBNP-UHFFFAOYSA-N 1 0 381.465 2.828 20 0 GFADRO C[C@H](NC(=O)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1)c1cccc(-c2nn[nH]n2)c1 ZINC000820650171 599422068 /nfs/dbraw/zinc/42/20/68/599422068.db2.gz RHMSMBRHBWYNMN-XHSDSOJGSA-N 1 0 399.543 2.983 20 0 GFADRO COc1ccc(C[NH2+]C[C@H]2CCCN(Cc3cccs3)C2)cc1-c1nn[nH]n1 ZINC000821809280 599422079 /nfs/dbraw/zinc/42/20/79/599422079.db2.gz NBKYNZFYWUNJLS-MRXNPFEDSA-N 1 0 398.536 2.939 20 0 GFADRO Clc1cccc(N2CC[NH+](CCCNc3cccc(-c4nn[nH]n4)n3)CC2)c1 ZINC000737576069 599432969 /nfs/dbraw/zinc/43/29/69/599432969.db2.gz STUNYOMBUYCSHP-UHFFFAOYSA-N 1 0 398.902 2.539 20 0 GFADRO COc1cccc(N2CCC[C@H]([NH2+]Cc3ccc(OC)c(-c4nn[nH]n4)c3)C2)c1 ZINC000821871866 599442484 /nfs/dbraw/zinc/44/24/84/599442484.db2.gz HISCOIZALNKWDI-INIZCTEOSA-N 1 0 394.479 2.643 20 0 GFADRO C[C@H](NC(=O)N1CC[NH+](C2CCC(C)CC2)CC1)c1cccc(-c2nn[nH]n2)c1 ZINC000820691775 599481234 /nfs/dbraw/zinc/48/12/34/599481234.db2.gz ZFYUAVRULUXNEX-WUJZJPHMSA-N 1 0 397.527 2.834 20 0 GFADRO Fc1ccc(SCCC[NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)cc1 ZINC000737657543 599483066 /nfs/dbraw/zinc/48/30/66/599483066.db2.gz WUSSHOOCFZPCAA-UHFFFAOYSA-N 1 0 383.456 2.926 20 0 GFADRO CN(CCCC[NH2+]Cc1cnc2ccc(-c3nn[nH]n3)cn12)c1ccccc1 ZINC000736791694 599486681 /nfs/dbraw/zinc/48/66/81/599486681.db2.gz GNVGMGJYXKNXBA-UHFFFAOYSA-N 1 0 376.468 2.521 20 0 GFADRO C[C@@H]1C[C@@H](N(C)C(=O)c2cccc(-c3nn[nH]n3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000736226591 599554604 /nfs/dbraw/zinc/55/46/04/599554604.db2.gz HUIIDPJVFUHNGJ-UZLBHIALSA-N 1 0 390.491 2.992 20 0 GFADRO Cc1ccccc1[C@@H]1C[C@@H](C)[N@@H+](CC(=O)NCc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000737423509 599584839 /nfs/dbraw/zinc/58/48/39/599584839.db2.gz VHLWDABVVXEIKZ-VQIMIIECSA-N 1 0 390.491 2.669 20 0 GFADRO O[C@@H](C[C@@H]1CCC[N@@H+]1CCOc1ccc(-c2nn[nH]n2)cc1)c1ccccc1 ZINC000823672651 599593399 /nfs/dbraw/zinc/59/33/99/599593399.db2.gz FTMWTIPLJRIIMH-ICSRJNTNSA-N 1 0 379.464 2.834 20 0 GFADRO C[C@H]1CCN(CC[NH2+]Cc2cccc(OCc3cccc(-c4nn[nH]n4)c3)c2)C1 ZINC000820721724 599647154 /nfs/dbraw/zinc/64/71/54/599647154.db2.gz ACKFEZLKFZUVDJ-KRWDZBQOSA-N 1 0 392.507 2.877 20 0 GFADRO C[C@H](NC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1)c1cccc(-c2nn[nH]n2)c1 ZINC000820353331 599680973 /nfs/dbraw/zinc/68/09/73/599680973.db2.gz YGNKILLBGMWYRC-YJBOKZPZSA-N 1 0 383.500 2.588 20 0 GFADRO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[NH+]2C3CCC2CC3)c1-c1nn[nH]n1 ZINC000822015796 599690672 /nfs/dbraw/zinc/69/06/72/599690672.db2.gz OSTAOQLGBGGOSA-UHFFFAOYSA-N 1 0 391.479 2.840 20 0 GFADRO O=C(NC1(c2cccc(-c3nn[nH]n3)c2)CC1)c1cccc(C[NH+]2CCCC2)c1 ZINC000826428281 607415609 /nfs/dbraw/zinc/41/56/09/607415609.db2.gz VWXCNSALNQRUKW-UHFFFAOYSA-N 1 0 388.475 2.882 20 0 GFADRO Cc1cccc(NC[C@@H]2CC[N@H+](CC(=O)NCc3ccc(NC(=O)[O-])cc3)C2)[nH+]1 ZINC000738735322 600094439 /nfs/dbraw/zinc/09/44/39/600094439.db2.gz AHHLXVJYHZPXSD-KRWDZBQOSA-N 1 0 397.479 2.530 20 0 GFADRO CC(C)Oc1ccc(NC(=O)NC[C@@H]2CC[N@@H+](C(C)C)C2)cc1-c1nn[nH]n1 ZINC000820169980 607429477 /nfs/dbraw/zinc/42/94/77/607429477.db2.gz NLLMBIJCDJEIHK-AWEZNQCLSA-N 1 0 387.488 2.506 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1cc(C(=O)[O-])c(F)cc1F ZINC000737117121 600684561 /nfs/dbraw/zinc/68/45/61/600684561.db2.gz WTVZXTPFFVMGSJ-ZDUSSCGKSA-N 1 0 398.454 2.543 20 0 GFADRO Fc1ccc(C2(C[NH2+]Cc3ccc(-c4nn[nH]n4)cc3F)CCOCC2)cc1 ZINC000822766471 607476620 /nfs/dbraw/zinc/47/66/20/607476620.db2.gz KAVCVNABILXEKB-UHFFFAOYSA-N 1 0 385.418 2.983 20 0 GFADRO CCN(Cc1ccnc(-c2nn[nH]n2)c1)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000825439715 607492825 /nfs/dbraw/zinc/49/28/25/607492825.db2.gz LTEUXQJJQOBYBI-LPHOPBHVSA-N 1 0 377.496 2.919 20 0 GFADRO COc1ccc(CN2CC[N@H+](Cc3ccccc3)CC[C@@H]2C)cc1-c1nn[nH]n1 ZINC000826195109 607512042 /nfs/dbraw/zinc/51/20/42/607512042.db2.gz ILIPUJTXROLVDN-KRWDZBQOSA-N 1 0 392.507 2.972 20 0 GFADRO C[C@@H]1C[C@@H](N(C)Cc2ccnc(-c3nn[nH]n3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000824886390 607512685 /nfs/dbraw/zinc/51/26/85/607512685.db2.gz YDIDVDJOXMGNKF-APWZRJJASA-N 1 0 377.496 2.747 20 0 GFADRO CC[NH+](CC)[C@H](CNC(=O)c1ccc(-c2nn[nH]n2)cc1C)Cc1ccccc1 ZINC000825406049 607661319 /nfs/dbraw/zinc/66/13/19/607661319.db2.gz HLACZUWEZOOXJE-IBGZPJMESA-N 1 0 392.507 2.858 20 0 GFADRO COc1ccc(C[NH2+]C2CCN([C@@H](C)c3ccncc3)CC2)cc1-c1nn[nH]n1 ZINC000826202680 607707324 /nfs/dbraw/zinc/70/73/24/607707324.db2.gz ILIJKRAHEYUYBU-HNNXBMFYSA-N 1 0 393.495 2.586 20 0 GFADRO CC(C)(C)OC(=O)N1CCCC[C@@H]1C[NH2+]C1CC[NH+](CCCC(=O)[O-])CC1 ZINC000833438535 605221544 /nfs/dbraw/zinc/22/15/44/605221544.db2.gz DMBJBWXYUSFRGR-QGZVFWFLSA-N 1 0 383.533 2.695 20 0 GFADRO Cc1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3F)C2)nc1 ZINC000822242407 606070375 /nfs/dbraw/zinc/07/03/75/606070375.db2.gz KHLRTQWZQFOYRE-INIZCTEOSA-N 1 0 395.442 2.560 20 0 GFADRO Cc1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3cc(-c4nn[nH]n4)ccc3F)C2)nc1 ZINC000822242345 606071144 /nfs/dbraw/zinc/07/11/44/606071144.db2.gz IVIUKUZQDXJTLA-HNNXBMFYSA-N 1 0 395.442 2.560 20 0 GFADRO CN(Cc1ccc(-c2nn[nH]n2)cc1F)C1CC[NH+](CCc2ccccn2)CC1 ZINC000821609667 606077653 /nfs/dbraw/zinc/07/76/53/606077653.db2.gz HAINMHHQUSVAEP-UHFFFAOYSA-N 1 0 395.486 2.540 20 0 GFADRO C[NH+](C)C1(CNc2nc3ccccc3cc2-c2nn[nH]n2)Cc2ccccc2C1 ZINC000821581734 606093282 /nfs/dbraw/zinc/09/32/82/606093282.db2.gz UGOULKHWYHKYNQ-UHFFFAOYSA-N 1 0 385.475 2.926 20 0 GFADRO C[C@H](CCNC(=O)C=Cc1ccccc1-c1nn[nH]n1)[N@H+](C)Cc1ccccc1 ZINC000820241635 606103440 /nfs/dbraw/zinc/10/34/40/606103440.db2.gz IMEKHEBGWUHBTA-MUSGIIIZSA-N 1 0 390.491 2.907 20 0 GFADRO c1ccc(C[N@@H+]2CCC[C@@]3(CCN(c4ncccc4-c4nn[nH]n4)C3)C2)cc1 ZINC000823780367 606141592 /nfs/dbraw/zinc/14/15/92/606141592.db2.gz RVIHOWMWVHHGEW-OAQYLSRUSA-N 1 0 375.480 2.754 20 0 GFADRO Clc1ncc(CN2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)s1 ZINC000822590153 606154105 /nfs/dbraw/zinc/15/41/05/606154105.db2.gz JHRRMNPDTPSFRR-UHFFFAOYSA-N 1 0 389.916 2.685 20 0 GFADRO C[N@H+](Cc1cc(-c2nn[nH]n2)ccc1F)CC(C)(C)CNC(=O)OC(C)(C)C ZINC000821607596 606160114 /nfs/dbraw/zinc/16/01/14/606160114.db2.gz VSOWQDQXAHJBKC-UHFFFAOYSA-N 1 0 392.479 2.989 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCN(c2ccc(-c3nn[nH]n3)cc2)C1=O)[C@@H](C)c1ccccc1 ZINC000820413730 606173498 /nfs/dbraw/zinc/17/34/98/606173498.db2.gz UZRCHDLOBJHQPR-ZRGWGRIASA-N 1 0 376.464 2.754 20 0 GFADRO C[NH+](C)Cc1ccc(-c2noc(COc3cccc(-c4nn[nH]n4)c3)n2)cc1 ZINC000821587462 606182337 /nfs/dbraw/zinc/18/23/37/606182337.db2.gz YLWHWSBALGHNQE-UHFFFAOYSA-N 1 0 377.408 2.557 20 0 GFADRO CCC[N@H+](CCS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)CC1CCCCC1 ZINC000821099661 606185633 /nfs/dbraw/zinc/18/56/33/606185633.db2.gz NBWCGDRZFMFUMH-UHFFFAOYSA-N 1 0 391.541 2.933 20 0 GFADRO O[C@H](C[C@H]1CCC[N@@H+]1CCOc1ccccc1-c1nn[nH]n1)c1cccs1 ZINC000823672446 606186748 /nfs/dbraw/zinc/18/67/48/606186748.db2.gz DUQYNKAGLOVABU-GDBMZVCRSA-N 1 0 385.493 2.895 20 0 GFADRO CC(C)(C)OC(=O)N1CCCC[C@@H]([NH2+]Cc2cc(-c3nn[nH]n3)cs2)C1 ZINC000819933654 606217680 /nfs/dbraw/zinc/21/76/80/606217680.db2.gz YRAHCJCVQGRRER-CYBMUJFWSA-N 1 0 378.502 2.807 20 0 GFADRO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)c1cc(-c2nn[nH]n2)cn1C ZINC000820704339 606227487 /nfs/dbraw/zinc/22/74/87/606227487.db2.gz NTZZTLFYKNESEN-HNNXBMFYSA-N 1 0 393.495 2.510 20 0 GFADRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)c3cc(-c4nn[nH]n4)c[nH]3)cc2)C1 ZINC000820650889 606258501 /nfs/dbraw/zinc/25/85/01/606258501.db2.gz YBXICUWSRDHNTP-HUUCEWRRSA-N 1 0 393.495 2.603 20 0 GFADRO O=C(Nc1ccc(F)cc1-c1nn[nH]n1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000823344006 606267631 /nfs/dbraw/zinc/26/76/31/606267631.db2.gz NRVRDKGEDCKBLE-HNNXBMFYSA-N 1 0 380.427 2.857 20 0 GFADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCCCOc1cccc(-c2nn[nH]n2)c1 ZINC000821254928 606276830 /nfs/dbraw/zinc/27/68/30/606276830.db2.gz QGBOXYQUGRRAMM-MSOLQXFVSA-N 1 0 398.511 2.501 20 0 GFADRO O=C(Nc1cc(-c2nn[nH]n2)ccc1O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000823294636 606297091 /nfs/dbraw/zinc/29/70/91/606297091.db2.gz LJRNQDKGLNQHIF-UHFFFAOYSA-N 1 0 378.436 2.811 20 0 GFADRO COC(=O)[C@H](c1ccc(-c2nn[nH]n2)cc1)[N@@H+]1CC[C@@H](c2ccccc2)[C@H]1C ZINC000821649975 606336382 /nfs/dbraw/zinc/33/63/82/606336382.db2.gz HLRLFRWOIVTIEU-ZMYBRWDISA-N 1 0 377.448 2.959 20 0 GFADRO O=C(Nc1ccc(F)cc1-c1nn[nH]n1)N1CC[NH+](CC2CCCCC2)CC1 ZINC000823344111 606358053 /nfs/dbraw/zinc/35/80/53/606358053.db2.gz QUWDWJZAAUCXPE-UHFFFAOYSA-N 1 0 387.463 2.736 20 0 GFADRO CCCCO[C@@H]1C[C@H]([NH2+][C@H](C)C(=O)Nc2ccccc2-c2nn[nH]n2)C1(C)C ZINC000821071571 606372103 /nfs/dbraw/zinc/37/21/03/606372103.db2.gz IYEVHISCXVAXBL-XOKHGSTOSA-N 1 0 386.500 2.767 20 0 GFADRO C[NH+](C)CCCOC1CCN(c2ccc(-c3nn[nH]n3)cc2C(F)(F)F)CC1 ZINC000821584431 606402955 /nfs/dbraw/zinc/40/29/55/606402955.db2.gz CYGJMZPIWPISDV-UHFFFAOYSA-N 1 0 398.433 2.823 20 0 GFADRO Cc1cc([C@H](C)[NH2+][C@H]2CCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)ccc1F ZINC000822191727 606416638 /nfs/dbraw/zinc/41/66/38/606416638.db2.gz PHTVFXJNFOQUCX-UGSOOPFHSA-N 1 0 380.427 2.770 20 0 GFADRO COc1ccc(Cl)cc1N1CC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC000821827882 606417381 /nfs/dbraw/zinc/41/73/81/606417381.db2.gz LKBHQVUCMFWQMW-LBPRGKRZSA-N 1 0 390.900 2.959 20 0 GFADRO O[C@@H]([C@@H](Cc1ccccc1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1)C(F)(F)F ZINC000823673753 606421100 /nfs/dbraw/zinc/42/11/00/606421100.db2.gz NKLJIQRTUXMVCG-OCCSQVGLSA-N 1 0 383.399 2.552 20 0 GFADRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1-c1nn[nH]n1)[C@H]1Oc2ccccc2[C@@H]1C ZINC000820402712 606472248 /nfs/dbraw/zinc/47/22/48/606472248.db2.gz FKOXNVLNRYEKEG-LJPSSGMGSA-N 1 0 392.463 2.737 20 0 GFADRO COc1cc(-c2nn[nH]n2)ccc1OCC[N@@H+]1CCS[C@@H]2CCCC[C@H]21 ZINC000821702517 606525615 /nfs/dbraw/zinc/52/56/15/606525615.db2.gz WBOYGDLJTBVNCK-RHSMWYFYSA-N 1 0 375.498 2.614 20 0 GFADRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000821621956 606554195 /nfs/dbraw/zinc/55/41/95/606554195.db2.gz MRMAQZXMIWNUMS-UHFFFAOYSA-N 1 0 390.491 2.532 20 0 GFADRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000820759812 606584213 /nfs/dbraw/zinc/58/42/13/606584213.db2.gz NWLOUTUCNBFKMH-KXBFYZLASA-N 1 0 376.464 2.507 20 0 GFADRO c1nc(-c2ccncc2)sc1C[NH2+]CCOc1ccc(-c2nn[nH]n2)cc1 ZINC000823737759 606612078 /nfs/dbraw/zinc/61/20/78/606612078.db2.gz JVOCHHFJYKJIEM-UHFFFAOYSA-N 1 0 379.449 2.554 20 0 GFADRO CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)C(=O)Nc2ccccc2-c2nn[nH]n2)C1(CC)CC ZINC000821362094 606621295 /nfs/dbraw/zinc/62/12/95/606621295.db2.gz YIUCZERHQSFXCF-IAOVAPTHSA-N 1 0 386.500 2.767 20 0 GFADRO OCC1CC[NH+](Cc2ccccc2NCc2cc(-c3nn[nH]n3)cs2)CC1 ZINC000823715255 606657653 /nfs/dbraw/zinc/65/76/53/606657653.db2.gz SIDRPKXKBWKBAB-UHFFFAOYSA-N 1 0 384.509 2.745 20 0 GFADRO C[C@@H](c1ccccc1)N1CC[C@@H]([NH2+]CCOc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000820571035 606722765 /nfs/dbraw/zinc/72/27/65/606722765.db2.gz UWIBTVRQWIOKQV-QFBILLFUSA-N 1 0 378.480 2.671 20 0 GFADRO CC(C)[N@H+]1C[C@H](NC(=S)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)[C@@H](C)C1 ZINC000820753134 606764900 /nfs/dbraw/zinc/76/49/00/606764900.db2.gz WSBVXEWHUNVDBN-HZMBPMFUSA-N 1 0 379.921 2.535 20 0 GFADRO COc1cc(OC)cc(N2CC[C@@H](C[NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)c1 ZINC000821723739 606771644 /nfs/dbraw/zinc/77/16/44/606771644.db2.gz IUNWXULIJZKVHV-INIZCTEOSA-N 1 0 394.479 2.500 20 0 GFADRO Cc1cccc(C)c1C(=O)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000822293572 606775778 /nfs/dbraw/zinc/77/57/78/606775778.db2.gz CKVOSTIFMMXDPT-UHFFFAOYSA-N 1 0 390.491 2.832 20 0 GFADRO c1ccc2[nH]c(C3C[NH+](CCCOc4ccc(-c5nn[nH]n5)cc4)C3)nc2c1 ZINC000823791280 606847454 /nfs/dbraw/zinc/84/74/54/606847454.db2.gz AKYWFIHHIWGMOB-UHFFFAOYSA-N 1 0 375.436 2.611 20 0 GFADRO O[C@@H](C[NH2+]Cc1ccc(OCC(F)(F)F)cc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823690058 606849985 /nfs/dbraw/zinc/84/99/85/606849985.db2.gz KYTAHURGODUPPO-INIZCTEOSA-N 1 0 393.369 2.631 20 0 GFADRO CCc1csc([C@H]2CCC[N@H+](C[C@H](O)c3ccc(-c4nn[nH]n4)cc3)C2)n1 ZINC000821499726 606859230 /nfs/dbraw/zinc/85/92/30/606859230.db2.gz PMSCNPWCBAVNEF-RDJZCZTQSA-N 1 0 384.509 2.799 20 0 GFADRO O=C(c1ccc(F)cc1)[C@@H]1CCC[N@@H+](C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000823487692 606862408 /nfs/dbraw/zinc/86/24/08/606862408.db2.gz GFYGTQIUVSEHSW-MJGOQNOKSA-N 1 0 395.438 2.634 20 0 GFADRO COc1ccc([C@H]2CCC[N@@H+]2C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)cc1OC ZINC000821787777 606884317 /nfs/dbraw/zinc/88/43/17/606884317.db2.gz ZVYILOOFUZLYAS-QZTJIDSGSA-N 1 0 395.463 2.754 20 0 GFADRO COc1cccc(C2CC[NH+](C[C@@H](O)c3ccc(-c4nn[nH]n4)cc3)CC2)c1 ZINC000821864187 606892494 /nfs/dbraw/zinc/89/24/94/606892494.db2.gz URVLCTDWWJAHJW-HXUWFJFHSA-N 1 0 379.464 2.788 20 0 GFADRO Cc1cc(C)n([C@H]2CCC[N@H+](CCCOc3cccc(-c4nn[nH]n4)c3)C2)n1 ZINC000822197419 606895823 /nfs/dbraw/zinc/89/58/23/606895823.db2.gz APGIEQYCKWTIRC-SFHVURJKSA-N 1 0 381.484 2.786 20 0 GFADRO COc1ccc(C[C@@H]2CCC[N@H+](C[C@H](O)c3ccc(-c4nn[nH]n4)cc3)C2)cc1 ZINC000821790521 606903602 /nfs/dbraw/zinc/90/36/02/606903602.db2.gz PRVIOZAKIWPXBO-UWJYYQICSA-N 1 0 393.491 2.863 20 0 GFADRO Cc1ccc(C)c([C@@H]2C[N@H+](C[C@H](O)c3ccc(-c4nn[nH]n4)cc3)[C@H](C)CO2)c1 ZINC000822231905 606903813 /nfs/dbraw/zinc/90/38/13/606903813.db2.gz MCRJOGZLXJSCEE-CZAAIQMYSA-N 1 0 393.491 2.979 20 0 GFADRO Cc1ccccc1[C@@H]1C[N@H+](C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)[C@H](C)CO1 ZINC000822351753 606904138 /nfs/dbraw/zinc/90/41/38/606904138.db2.gz PWMNTOFYQLSXGY-XPGWFJOJSA-N 1 0 379.464 2.671 20 0 GFADRO C[C@H]1C[C@@H](NC(=O)Nc2ccc(F)cc2-c2nn[nH]n2)C[N@@H+]1Cc1ccccc1 ZINC000820656596 606907226 /nfs/dbraw/zinc/90/72/26/606907226.db2.gz GRZYQPFUNHISDM-XJKSGUPXSA-N 1 0 395.442 2.790 20 0 GFADRO CC(C)[C@H]1c2ccccc2CC[N@H+]1CC(=O)NCc1cccc(-c2nn[nH]n2)c1 ZINC000820051918 606916521 /nfs/dbraw/zinc/91/65/21/606916521.db2.gz XUYYSJVDCALOQZ-NRFANRHFSA-N 1 0 390.491 2.738 20 0 GFADRO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000820703946 606936386 /nfs/dbraw/zinc/93/63/86/606936386.db2.gz KPUKIPKGWUAURK-KRWDZBQOSA-N 1 0 396.539 2.912 20 0 GFADRO Cc1cc(C(=O)NC2CC[NH+](Cc3ccc(F)c(-c4nn[nH]n4)c3)CC2)c(C)o1 ZINC000822169007 606968156 /nfs/dbraw/zinc/96/81/56/606968156.db2.gz WIYMABWXHZNLKV-UHFFFAOYSA-N 1 0 398.442 2.610 20 0 GFADRO O=C(NC[C@@H]1CCCC[N@H+]1Cc1ccc(F)c(-c2nn[nH]n2)c1)c1ccccc1 ZINC000823176303 606979587 /nfs/dbraw/zinc/97/95/87/606979587.db2.gz RGIQEPGFECAVNY-KRWDZBQOSA-N 1 0 394.454 2.790 20 0 GFADRO Cn1cc(Br)cc1C[N@H+](C)Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC000821611055 606984970 /nfs/dbraw/zinc/98/49/70/606984970.db2.gz OZCIJEAVOMWHLF-UHFFFAOYSA-N 1 0 379.237 2.739 20 0 GFADRO O=C(c1ccccc1Cl)N1CCC([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000823493016 606996093 /nfs/dbraw/zinc/99/60/93/606996093.db2.gz DMCFLHGQOVONAM-UHFFFAOYSA-N 1 0 396.882 2.915 20 0 GFADRO Fc1ccc(CCN2CCC([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)CC2)cc1 ZINC000822766618 606999502 /nfs/dbraw/zinc/99/95/02/606999502.db2.gz LDBAABZPPMBIAX-UHFFFAOYSA-N 1 0 380.471 2.803 20 0 GFADRO Cc1cc(C)c2ncc(-c3nn[nH]n3)c(N3CC[C@@H]4[C@H](CCC[N@H+]4C)C3)c2c1 ZINC000822195643 607030876 /nfs/dbraw/zinc/03/08/76/607030876.db2.gz ZDKOPALDKYNNPH-CRAIPNDOSA-N 1 0 377.496 2.952 20 0 GFADRO C[C@H](Nc1c(-c2nn[nH]n2)cnc2c(F)ccc(F)c21)C(C)(C)C[NH+](C)C ZINC000820449947 607044401 /nfs/dbraw/zinc/04/44/01/607044401.db2.gz FBQBGIXEICNPGN-JTQLQIEISA-N 1 0 375.427 2.503 20 0 GFADRO CCOc1cccc([C@H](C)[NH2+]C2CCN(c3ccc(-c4nn[nH]n4)cn3)CC2)c1 ZINC000821426750 607047166 /nfs/dbraw/zinc/04/71/66/607047166.db2.gz IPNQQOKEHWHKSQ-HNNXBMFYSA-N 1 0 393.495 2.980 20 0 GFADRO C[C@H]([NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)c1cccc(N2CCOCC2)c1 ZINC000820426662 607058993 /nfs/dbraw/zinc/05/89/93/607058993.db2.gz MDMVAMKVTBLJMU-AWEZNQCLSA-N 1 0 382.443 2.693 20 0 GFADRO CN(C[C@H]1CCC[N@@H+]1Cc1cc(F)ccc1-c1nn[nH]n1)C(=O)OC(C)(C)C ZINC000821596122 607070055 /nfs/dbraw/zinc/07/00/55/607070055.db2.gz AEGSBLHQXSENPS-OAHLLOKOSA-N 1 0 390.463 2.837 20 0 GFADRO O=C(Nc1ccc(OCC[NH+]2CCCCC2)cc1)c1cccc(-c2nn[nH]n2)c1 ZINC000823350700 607165807 /nfs/dbraw/zinc/16/58/07/607165807.db2.gz XVORDHBYFGIIHH-UHFFFAOYSA-N 1 0 392.463 2.984 20 0 GFADRO C[C@@H]1C[N@@H+](CCCCNc2nc3ccccc3cc2-c2nn[nH]n2)C[C@H](C)O1 ZINC000820758712 607173836 /nfs/dbraw/zinc/17/38/36/607173836.db2.gz BVOKXAIQIMDYKW-GASCZTMLSA-N 1 0 381.484 2.716 20 0 GFADRO C[C@@H](CNC(=O)Nc1ccc(-c2nn[nH]n2)cc1Cl)[NH+]1CCC(C)CC1 ZINC000820721743 607199616 /nfs/dbraw/zinc/19/96/16/607199616.db2.gz AHXDVLJLYIVMRS-LBPRGKRZSA-N 1 0 377.880 2.762 20 0 GFADRO Cc1nnc(NCC[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)c(-c2nn[nH]n2)c1C ZINC000826336058 607810512 /nfs/dbraw/zinc/81/05/12/607810512.db2.gz LMRHUFJZDMHSSO-KSSFIOAISA-N 1 0 392.511 2.986 20 0 GFADRO C[C@@H]([NH2+]CCS(=O)(=O)c1cccc(-c2nn[nH]n2)c1)c1ccc(Cl)cc1 ZINC000824598563 607814430 /nfs/dbraw/zinc/81/44/30/607814430.db2.gz GOERRYHFDKUQMT-GFCCVEGCSA-N 1 0 391.884 2.645 20 0 GFADRO CC(C)CC[C@@H]1CCC[N@@H+]1CCS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000824243766 607829313 /nfs/dbraw/zinc/82/93/13/607829313.db2.gz NVRBZRDFFIGPEE-INIZCTEOSA-N 1 0 377.514 2.541 20 0 GFADRO CC[N@@H+](Cc1cccc(C(=O)OC)c1-c1nn[nH]n1)C[C@@H](O)c1ccc(C)cc1 ZINC000825435315 607923750 /nfs/dbraw/zinc/92/37/50/607923750.db2.gz UALWVEKALWYPGN-GOSISDBHSA-N 1 0 395.463 2.517 20 0 GFADRO COc1ccc(C[N@@H+]2CCc3ccc(C(C)=O)cc3CC2)cc1-c1nn[nH]n1 ZINC000826195423 607926665 /nfs/dbraw/zinc/92/66/65/607926665.db2.gz TZDMGNKBJPFYCA-UHFFFAOYSA-N 1 0 377.448 2.679 20 0 GFADRO O[C@@H]1C[C@H](c2ccc(F)cc2)[N@H+](CCCOc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000826506443 607942717 /nfs/dbraw/zinc/94/27/17/607942717.db2.gz UUPRNXZKDOZWJM-IEBWSBKVSA-N 1 0 383.427 2.583 20 0 GFADRO O[C@H]1C[C@@H](c2ccc(F)cc2)[N@H+](Cc2cn3ccccc3c2-c2nn[nH]n2)C1 ZINC000826506356 607943816 /nfs/dbraw/zinc/94/38/16/607943816.db2.gz SPBWKYWLKTYSMU-WMZOPIPTSA-N 1 0 378.411 2.566 20 0 GFADRO C[NH+](C)CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)C1CCC(F)(F)CC1 ZINC000825866170 607979321 /nfs/dbraw/zinc/97/93/21/607979321.db2.gz RXGNFWZNJJZBHP-UHFFFAOYSA-N 1 0 392.454 2.582 20 0 GFADRO C[C@@H]([NH2+][C@H]1CCCN(Cc2ccccc2)C1=O)c1cccc(-c2nn[nH]n2)c1 ZINC000824545604 608015384 /nfs/dbraw/zinc/01/53/84/608015384.db2.gz DJHOGPOBHCSDES-BEFAXECRSA-N 1 0 376.464 2.709 20 0 GFADRO C[C@@H]([NH2+][C@@H]1CCCN(Cc2ccccc2)C1=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000824547443 608015408 /nfs/dbraw/zinc/01/54/08/608015408.db2.gz OINRGKGUJCHZNN-DNVCBOLYSA-N 1 0 376.464 2.709 20 0 GFADRO C[N@@H+]1CCC[C@@H]1[C@H]1CCCN1c1ccc(-c2nn[nH]n2)cc1Br ZINC000826033923 608049275 /nfs/dbraw/zinc/04/92/75/608049275.db2.gz KVPGFKRMRLYCOI-HUUCEWRRSA-N 1 0 377.290 2.692 20 0 GFADRO COc1ccc([C@](C)(O)[C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2-c2nn[nH]n2)cc1 ZINC000826188472 608064322 /nfs/dbraw/zinc/06/43/22/608064322.db2.gz XZRDUVZVYDHEMC-FPOVZHCZSA-N 1 0 397.454 2.887 20 0 GFADRO CC[N@H+](Cc1ccccc1C)[C@@H]1CCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000825439430 608122222 /nfs/dbraw/zinc/12/22/22/608122222.db2.gz BZJMRECHUFTQMK-LJQANCHMSA-N 1 0 376.464 2.803 20 0 GFADRO Cc1ccc([C@@H]2CC[N@H+](CCC(=O)Nc3ccc(-c4nn[nH]n4)cc3)C2)cc1 ZINC000826285510 608126506 /nfs/dbraw/zinc/12/65/06/608126506.db2.gz BNGJUGDNCHJLBB-GOSISDBHSA-N 1 0 376.464 2.993 20 0 GFADRO CC(C)C[C@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)[NH2+][C@@H](C)c1ccccc1 ZINC000824236424 608153798 /nfs/dbraw/zinc/15/37/98/608153798.db2.gz NRIJYCRJFGDYAA-GOEBONIOSA-N 1 0 381.484 2.690 20 0 GFADRO CC[N@H+](C[C@@H](O)c1ccc(C)cc1)[C@H](C)C(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000825398877 608157486 /nfs/dbraw/zinc/15/74/86/608157486.db2.gz ACSWQUWPSGIJAM-DNVCBOLYSA-N 1 0 394.479 2.558 20 0 GFADRO O=C([C@H]1CC12CC[NH+](Cc1cc(-c3nn[nH]n3)ccc1F)CC2)N1CCCCC1 ZINC000826398202 608212835 /nfs/dbraw/zinc/21/28/35/608212835.db2.gz RSKYHEICNKRRNZ-QGZVFWFLSA-N 1 0 398.486 2.620 20 0 GFADRO C[C@H]([NH2+]CCOc1ccc(-c2nn[nH]n2)cc1)c1ccc(-n2cccn2)cc1 ZINC000824599719 608281196 /nfs/dbraw/zinc/28/11/96/608281196.db2.gz RGTPXNRQLJTTPX-HNNXBMFYSA-N 1 0 375.436 2.782 20 0 GFADRO C[C@H]([NH2+]CCOc1ccc(-c2nn[nH]n2)cc1)c1cccc(N2CCOC2=O)c1 ZINC000824599525 608282285 /nfs/dbraw/zinc/28/22/85/608282285.db2.gz QLLGCIFNSRHYFB-AWEZNQCLSA-N 1 0 394.435 2.553 20 0 GFADRO Cc1nn(-c2ccccc2)c(C[N@@H+](C[C@@H](C)O)C2CCCCC2)c1-c1nn[nH]n1 ZINC000826332069 608312236 /nfs/dbraw/zinc/31/22/36/608312236.db2.gz ITQJFAWDKNRMDY-OAHLLOKOSA-N 1 0 395.511 2.876 20 0 GFADRO COc1cc(-c2nn[nH]n2)ccc1C[NH+]1CCC([C@@H](O)c2ccc(F)cc2)CC1 ZINC000826168332 608361648 /nfs/dbraw/zinc/36/16/48/608361648.db2.gz JXZKGYOLZYHXPU-FQEVSTJZSA-N 1 0 397.454 2.960 20 0 GFADRO COc1cc(-c2nn[nH]n2)ccc1C[NH+]1CCC(N(C)c2ccccc2)CC1 ZINC000826168489 608366652 /nfs/dbraw/zinc/36/66/52/608366652.db2.gz OYCGPLRHFZRTCW-UHFFFAOYSA-N 1 0 378.480 2.976 20 0 GFADRO COc1ccc([C@@H](C)[NH2+]Cc2ccnc(-c3nn[nH]n3)c2)cc1Br ZINC000826189526 608429412 /nfs/dbraw/zinc/42/94/12/608429412.db2.gz XOCYLBQZYJSALA-SNVBAGLBSA-N 1 0 389.257 2.884 20 0 GFADRO OC[C@H]([NH2+]Cc1ccc(-c2nn[nH]n2)s1)c1ccc(Br)cc1 ZINC000826508609 608452219 /nfs/dbraw/zinc/45/22/19/608452219.db2.gz VWPAONZQNYQNHZ-LBPRGKRZSA-N 1 0 380.271 2.514 20 0 GFADRO C[C@H]([NH2+]CCCS(=O)(=O)c1ccc(F)cc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824594294 608467511 /nfs/dbraw/zinc/46/75/11/608467511.db2.gz ZTOOUYOKPMVANB-ZDUSSCGKSA-N 1 0 389.456 2.520 20 0 GFADRO CCc1ccc([C@H](C)NC(=O)C[NH2+][C@H](C)c2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000825704649 608467806 /nfs/dbraw/zinc/46/78/06/608467806.db2.gz LXIWRADOEAPYFU-CABCVRRESA-N 1 0 378.480 2.957 20 0 GFADRO C[C@H]([NH2+][C@@H](C)c1cccc(O)c1)C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000824533118 608475948 /nfs/dbraw/zinc/47/59/48/608475948.db2.gz ZBMKDDPDNKYOPV-QWRGUYRKSA-N 1 0 386.843 2.904 20 0 GFADRO C[C@@H]([NH2+]Cc1ccc(F)cc1-c1nn[nH]n1)c1cccc(N2CCCC2=O)c1 ZINC000824619675 608476034 /nfs/dbraw/zinc/47/60/34/608476034.db2.gz YPBRIIFYHZHTFB-CYBMUJFWSA-N 1 0 380.427 2.983 20 0 GFADRO C[C@@H]([NH2+]CC(=O)Nc1ccc(N2CCCC2)cc1)c1cccc(-c2nn[nH]n2)c1 ZINC000824562644 608481950 /nfs/dbraw/zinc/48/19/50/608481950.db2.gz HUNBNYLEAGNCEE-OAHLLOKOSA-N 1 0 391.479 2.756 20 0 GFADRO C[C@H]([NH2+]CC(=O)Nc1ccc(N2CCCC2)cc1)c1cccc(-c2nn[nH]n2)c1 ZINC000824562643 608481972 /nfs/dbraw/zinc/48/19/72/608481972.db2.gz HUNBNYLEAGNCEE-HNNXBMFYSA-N 1 0 391.479 2.756 20 0 GFADRO C[C@H]([NH2+]CCCOc1cccc(-c2nn[nH]n2)c1)c1ccc2c(c1)CC(=O)N2C ZINC000824593341 608494667 /nfs/dbraw/zinc/49/46/67/608494667.db2.gz RAQBNELNRROQHM-AWEZNQCLSA-N 1 0 392.463 2.505 20 0 GFADRO CCOC(=O)N[C@@H](C[NH2+][C@H]1CCCc2cc(-c3nn[nH]n3)ccc21)CC(C)C ZINC000825523454 608498503 /nfs/dbraw/zinc/49/85/03/608498503.db2.gz QHUHYVVQSQMBTF-AEFFLSMTSA-N 1 0 386.500 2.995 20 0 GFADRO c1cc2c(cc1-c1nn[nH]n1)CCC[C@H]2[NH2+]CCCc1nnc2n1CCCCC2 ZINC000826518269 608508279 /nfs/dbraw/zinc/50/82/79/608508279.db2.gz IDIBBYJJAWUTIX-GOSISDBHSA-N 1 0 392.511 2.784 20 0 GFADRO CN(C)C(=O)c1cccc(CC[NH2+][C@H]2CCCc3cc(-c4nn[nH]n4)ccc32)c1 ZINC000825845064 608514650 /nfs/dbraw/zinc/51/46/50/608514650.db2.gz AIJZVSAMHVYYTD-FQEVSTJZSA-N 1 0 390.491 2.778 20 0 GFADRO Cc1ccc(C)c(OC[C@@H](O)C[NH2+]C2(c3cccc(-c4nn[nH]n4)c3)CC2)c1C ZINC000826284668 608528161 /nfs/dbraw/zinc/52/81/61/608528161.db2.gz AVDBTMRUAPVLRH-IBGZPJMESA-N 1 0 393.491 2.811 20 0 GFADRO O=C(c1ccc(C[NH2+]C2(c3cccc(-c4nn[nH]n4)c3)CC2)cc1)N1CCCC1 ZINC000826472841 608533314 /nfs/dbraw/zinc/53/33/14/608533314.db2.gz YKCVZEVPCVHPKI-UHFFFAOYSA-N 1 0 388.475 2.882 20 0 GFADRO CCOc1cccc(C[NH2+]C2CCC(Oc3ccc(-c4nn[nH]n4)cn3)CC2)n1 ZINC000825648754 608569812 /nfs/dbraw/zinc/56/98/12/608569812.db2.gz AOAKDDFWTDEATL-UHFFFAOYSA-N 1 0 395.467 2.535 20 0 GFADRO C[C@@H]([NH2+]CC(=O)Nc1c(-c2nn[nH]n2)cnn1-c1ccccc1)C1CCCCC1 ZINC000824565157 608577931 /nfs/dbraw/zinc/57/79/31/608577931.db2.gz ZYXUPAHJKPKUBS-CQSZACIVSA-N 1 0 394.483 2.549 20 0 GFADRO CCC[C@@H]1CN(c2nnc(C)c(C)c2-c2nn[nH]n2)CC[N@@H+]1Cc1ccccc1 ZINC000825258869 608587235 /nfs/dbraw/zinc/58/72/35/608587235.db2.gz GKRWYSGVJMBPDC-GOSISDBHSA-N 1 0 392.511 2.764 20 0 GFADRO COc1ccc(C[NH+]2CCN(c3cccc(F)c3-c3nn[nH]n3)CC2)cc1C ZINC000826195405 608594942 /nfs/dbraw/zinc/59/49/42/608594942.db2.gz SKTMAYZBPGRNEK-UHFFFAOYSA-N 1 0 382.443 2.645 20 0 GFADRO CC(C)(C)OC(=O)NC[C@H]1CCCC[N@@H+]1Cc1cc(-c2nn[nH]n2)cs1 ZINC000824107993 608638939 /nfs/dbraw/zinc/63/89/39/608638939.db2.gz ANNVZKDDIWDGPU-CYBMUJFWSA-N 1 0 378.502 2.807 20 0 GFADRO Fc1cc(-c2nn[nH]n2)ccc1N1CC[NH+](Cc2cccc3cc[nH]c32)CC1 ZINC000826372480 608641114 /nfs/dbraw/zinc/64/11/14/608641114.db2.gz YLAFWQFCQIERKV-UHFFFAOYSA-N 1 0 377.427 2.809 20 0 GFADRO CC(C)(C)OC(=O)NCC1CC[NH+](Cc2cccc(-c3nn[nH]n3)c2F)CC1 ZINC000824108441 608649897 /nfs/dbraw/zinc/64/98/97/608649897.db2.gz FYZDLFPZIMIZOB-UHFFFAOYSA-N 1 0 390.463 2.743 20 0 GFADRO C[N@H+](Cc1cccc(-c2nn[nH]n2)c1F)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000825976753 608651491 /nfs/dbraw/zinc/65/14/91/608651491.db2.gz OZQGSTGATRYFIL-UHFFFAOYSA-N 1 0 390.463 2.837 20 0 GFADRO Cc1cc(C[NH+]2CCN(c3c(-c4nn[nH]n4)cnc4ccccc43)CC2)c(C)o1 ZINC000826266085 608653500 /nfs/dbraw/zinc/65/35/00/608653500.db2.gz BEZDRFIHLKAGOV-UHFFFAOYSA-N 1 0 389.463 2.947 20 0 GFADRO c1nc2ccc(-c3nn[nH]n3)cn2c1CN1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000826518821 608680104 /nfs/dbraw/zinc/68/01/04/608680104.db2.gz YVVHJNYMOPHTRD-KRWDZBQOSA-N 1 0 394.527 2.602 20 0 GFADRO C[C@@H]([NH2+]C1(CNc2cnccc2-c2nn[nH]n2)CCOCC1)c1ccccc1 ZINC000824538115 608783372 /nfs/dbraw/zinc/78/33/72/608783372.db2.gz HMFFFXSBTPMZFZ-OAHLLOKOSA-N 1 0 379.468 2.574 20 0 GFADRO C[C@H]([NH2+]C[C@@H](NC(=O)OC(C)(C)C)C1CC1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824569170 609154338 /nfs/dbraw/zinc/15/43/38/609154338.db2.gz GHUMGNQWFXVCEJ-MEDUHNTESA-N 1 0 390.463 2.960 20 0 GFADRO C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC000824876123 609197970 /nfs/dbraw/zinc/19/79/70/609197970.db2.gz QHIRCMKLMSJIAE-GJZGRUSLSA-N 1 0 393.495 2.603 20 0 GFADRO Cc1cc(N2CCC[C@@H]([NH2+][C@H](C)c3ccc(-c4nn[nH]n4)c(F)c3)C2)nc(C)n1 ZINC000826269522 609233057 /nfs/dbraw/zinc/23/30/57/609233057.db2.gz ORGWPOWEPHISPF-CZUORRHYSA-N 1 0 396.474 2.732 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)c1ccc(Cl)c(-c2nn[nH]n2)c1)c1cccc(F)c1 ZINC000825848433 609286684 /nfs/dbraw/zinc/28/66/84/609286684.db2.gz CRHBTNAKCKLRQS-MRXNPFEDSA-N 1 0 388.834 2.692 20 0 GFADRO CC[NH+](CC)[C@@H](CNC(=O)c1ccc(Cl)c(-c2nn[nH]n2)c1)c1ccco1 ZINC000825405501 609289874 /nfs/dbraw/zinc/28/98/74/609289874.db2.gz CAMWTWLYXLFQMV-HNNXBMFYSA-N 1 0 388.859 2.926 20 0 GFADRO C[C@H](NC(=O)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)c1cccc(-c2nn[nH]n2)c1 ZINC000824490438 609303467 /nfs/dbraw/zinc/30/34/67/609303467.db2.gz PKEFNWIJSZSNIW-MPGHIAIKSA-N 1 0 397.527 2.880 20 0 GFADRO C[C@@H]([NH2+]Cc1cccc(CN2CCOCC2)c1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824616876 609327457 /nfs/dbraw/zinc/32/74/57/609327457.db2.gz AGLMHCUIVNATDE-OAHLLOKOSA-N 1 0 396.470 2.689 20 0 GFADRO Cc1cccc(C)c1OC[C@H](O)C[NH2+][C@H](C)c1ccc(-c2nn[nH]n2)cc1F ZINC000826296772 609329666 /nfs/dbraw/zinc/32/96/66/609329666.db2.gz IRRUKTGBHZVLPQ-GDBMZVCRSA-N 1 0 385.443 2.713 20 0 GFADRO Cc1cccc(C)c1OC[C@@H](O)C[NH2+][C@H](C)c1ccc(-c2nn[nH]n2)cc1F ZINC000826296775 609329740 /nfs/dbraw/zinc/32/97/40/609329740.db2.gz IRRUKTGBHZVLPQ-ZBFHGGJFSA-N 1 0 385.443 2.713 20 0 GFADRO COc1cc(OC)cc(OCC[NH2+][C@H](C)c2ccc(-c3nn[nH]n3)cc2F)c1 ZINC000826181149 609344337 /nfs/dbraw/zinc/34/43/37/609344337.db2.gz MRAPYCHNXZCVNQ-GFCCVEGCSA-N 1 0 387.415 2.753 20 0 GFADRO C[C@@H]([NH2+][C@@H](C)c1ccc(-c2nn[nH]n2)cc1F)c1ccc(-n2ccnn2)cc1 ZINC000824531676 609344727 /nfs/dbraw/zinc/34/47/27/609344727.db2.gz QBLWTKBIUXFPJC-OLZOCXBDSA-N 1 0 378.415 2.998 20 0 GFADRO Cc1c(NC(=O)N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cccc1-c1nn[nH]n1 ZINC000826242046 609353324 /nfs/dbraw/zinc/35/33/24/609353324.db2.gz XUSYDFVPAYSQII-CABCVRRESA-N 1 0 383.500 2.950 20 0 GFADRO C[C@@H]1CC[N@H+](CCC(=O)Nc2sc3c(c2-c2nn[nH]n2)CCCC3)C[C@@H]1F ZINC000824954444 609373581 /nfs/dbraw/zinc/37/35/81/609373581.db2.gz JZJDBAKLMYCGHX-YPMHNXCESA-N 1 0 392.504 2.816 20 0 GFADRO C[NH+](C)C[C@H]1CCN(C(=O)c2ccccc2Oc2ccccc2-c2nn[nH]n2)C1 ZINC000825859092 609383761 /nfs/dbraw/zinc/38/37/61/609383761.db2.gz CMNDHQKBOADGOD-OAHLLOKOSA-N 1 0 392.463 2.683 20 0 GFADRO C[C@H]1CC[N@H+](CCNC(=O)c2ccccc2Oc2ccccc2-c2nn[nH]n2)C1 ZINC000824957328 609385720 /nfs/dbraw/zinc/38/57/20/609385720.db2.gz XGLDCWKXQJIZKX-HNNXBMFYSA-N 1 0 392.463 2.731 20 0 GFADRO Cc1cc(C)cc(CC[NH2+][C@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)c1 ZINC000826264603 609417824 /nfs/dbraw/zinc/41/78/24/609417824.db2.gz UBRWQXPMZPUIJP-FQEVSTJZSA-N 1 0 390.491 2.811 20 0 GFADRO CC(C)[N@@H+]1CC[C@H](Nc2ccc(-c3nn[nH]n3)nn2)[C@@H]1c1ccc(F)c(F)c1 ZINC000824297800 609434431 /nfs/dbraw/zinc/43/44/31/609434431.db2.gz ZXUXQVBCKFDVBN-YOEHRIQHSA-N 1 0 386.410 2.571 20 0 GFADRO COc1cccc([C@@H](CNc2ncc(Cl)c(C)c2-c2nn[nH]n2)[NH+](C)C)c1 ZINC000826214499 609520420 /nfs/dbraw/zinc/52/04/20/609520420.db2.gz NNPYYIWAUJNFFQ-OAHLLOKOSA-N 1 0 387.875 2.947 20 0 GFADRO C[C@@H]1CC(C(=O)N(CC[NH+](C)C)Cc2ccc(-c3nn[nH]n3)cc2)C[C@@H](C)C1 ZINC000824877564 609529740 /nfs/dbraw/zinc/52/97/40/609529740.db2.gz YMWAWGSOTYKFLV-HOTGVXAUSA-N 1 0 384.528 2.829 20 0 GFADRO Cc1cccc(NC[C@H]2CCN(c3ncc(Cl)c(C)c3-c3nn[nH]n3)C2)[nH+]1 ZINC000826299439 609544725 /nfs/dbraw/zinc/54/47/25/609544725.db2.gz FLFIROLXWPIOBL-CYBMUJFWSA-N 1 0 384.875 2.865 20 0 GFADRO O=C1[C@H]([NH2+]Cc2cnc3ccccc3c2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476810 609600786 /nfs/dbraw/zinc/60/07/86/609600786.db2.gz PPQYMLRAORDNFX-HXUWFJFHSA-N 1 0 399.458 2.700 20 0 GFADRO Cc1ccc(C[NH2+][C@@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)cc1C ZINC000826288409 609601483 /nfs/dbraw/zinc/60/14/83/609601483.db2.gz FXXSYEPINBVLDI-LJQANCHMSA-N 1 0 376.464 2.769 20 0 GFADRO Cc1cccc(C(=O)Nc2ccn(CC[NH+](C)C)n2)c1I ZINC000522269749 650624599 /nfs/dbraw/zinc/62/45/99/650624599.db2.gz QJASKDROVVTSAD-UHFFFAOYSA-N 1 0 398.248 2.610 20 0 GFADRO C[NH+](C)CCn1ccc(NC(=O)N[C@H]2C[C@@H]2c2cccc(Br)c2)n1 ZINC000525228725 650652120 /nfs/dbraw/zinc/65/21/20/650652120.db2.gz VGQQJSLBVHOLGG-CABCVRRESA-N 1 0 392.301 2.885 20 0 GFADRO C[C@@H]1C[C@H](C)[N@H+](CCCCS(C)(=O)=O)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000817294586 660189245 /nfs/dbraw/zinc/18/92/45/660189245.db2.gz WWODMGKDQOETLW-PMPSAXMXSA-N 1 0 376.563 2.682 20 0 GFADRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)c1nc(Br)ccc1Br ZINC000817493513 660198379 /nfs/dbraw/zinc/19/83/79/660198379.db2.gz FNFKHGZPGPTABS-SECBINFHSA-N 1 0 391.107 2.773 20 0 GFADRO COc1cc([C@H](C)NC[C@]2(C)CCC[NH2+]C2)ccc1S(=O)(=O)C(F)F ZINC000817966568 660212759 /nfs/dbraw/zinc/21/27/59/660212759.db2.gz QCMPYPFADBQQGO-YVEFUNNKSA-N 1 0 376.469 2.732 20 0 GFADRO [NH3+][C@@H]1CCO[C@@H](C2CCN(C(=O)/C=C/c3ccc(Br)o3)CC2)C1 ZINC000818014790 660213692 /nfs/dbraw/zinc/21/36/92/660213692.db2.gz NRZHDBYBPSNFNC-GBSFPIBMSA-N 1 0 383.286 2.800 20 0 GFADRO O=C(c1cc(=O)[nH]c2c(Br)cccc12)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000818019344 660213930 /nfs/dbraw/zinc/21/39/30/660213930.db2.gz XNPKHULDZVUQSY-QGZVFWFLSA-N 1 0 376.254 2.671 20 0 GFADRO O=C([C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000818016755 660213946 /nfs/dbraw/zinc/21/39/46/660213946.db2.gz OSZPFGDFXKUSDJ-UGSOOPFHSA-N 1 0 382.291 2.701 20 0 GFADRO CN(C(=O)c1cn(-c2ccc(Br)cc2)cn1)C1CCC([NH3+])CC1 ZINC000818529105 660228296 /nfs/dbraw/zinc/22/82/96/660228296.db2.gz DZFKHSUASRZINV-UHFFFAOYSA-N 1 0 377.286 2.977 20 0 GFADRO Cc1ccc(-n2nc(Br)cc2C(=O)N[C@@](C)(C[NH3+])C2CC2)cc1 ZINC000818554926 660228588 /nfs/dbraw/zinc/22/85/88/660228588.db2.gz QOJPGUJHZQDOJU-KRWDZBQOSA-N 1 0 377.286 2.800 20 0 GFADRO CN(C[C@@H](O)C[NH2+]CCc1ccc(Br)s1)C(=O)OC(C)(C)C ZINC000818945412 660236269 /nfs/dbraw/zinc/23/62/69/660236269.db2.gz FOOCECNGAABMBN-NSHDSACASA-N 1 0 393.347 2.871 20 0 GFADRO Cc1ccc(C(=O)NCC[NH2+]C[C@@H](O)c2cccc(Br)c2)cc1F ZINC000818948289 660237102 /nfs/dbraw/zinc/23/71/02/660237102.db2.gz OQWJXPHQXKRCNG-QGZVFWFLSA-N 1 0 395.272 2.950 20 0 GFADRO CNS(=O)(=O)c1cccc(C[NH2+]C[C@H](O)c2ccc(Cl)cc2Cl)c1 ZINC000818953852 660237589 /nfs/dbraw/zinc/23/75/89/660237589.db2.gz NTBWRZGDRIYDIQ-INIZCTEOSA-N 1 0 389.304 2.725 20 0 GFADRO O=C1[C@@H]([NH2+]C[C@H](O)c2ccc(Br)cc2)CCN1Cc1ccccc1 ZINC000818984084 660241263 /nfs/dbraw/zinc/24/12/63/660241263.db2.gz WBOHEBWBUYMLSL-ROUUACIJSA-N 1 0 389.293 2.873 20 0 GFADRO Cc1cc(Br)ccc1C[NH2+]C[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC000819046148 660244364 /nfs/dbraw/zinc/24/43/64/660244364.db2.gz IXWBNQUFLAKNCQ-QGZVFWFLSA-N 1 0 398.322 2.984 20 0 GFADRO CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+]C[C@@H](O)c2ccc(F)c(Br)c2)C1 ZINC000819093986 660246197 /nfs/dbraw/zinc/24/61/97/660246197.db2.gz DPTKRWZNIITQDK-YWPYICTPSA-N 1 0 394.306 2.567 20 0 GFADRO C[C@@H](C[NH2+]C[C@H](O)COc1cccc(Br)c1)CC1(C)OCCO1 ZINC000819095207 660246383 /nfs/dbraw/zinc/24/63/83/660246383.db2.gz BPIJMJDWWRAKSD-HIFRSBDPSA-N 1 0 388.302 2.568 20 0 GFADRO CC(C)CS(=O)(=O)N1CCC([NH2+]C[C@H](O)c2ccc(Cl)c(F)c2)CC1 ZINC000819211504 660250354 /nfs/dbraw/zinc/25/03/54/660250354.db2.gz CGCUFDBXHMMOOH-KRWDZBQOSA-N 1 0 392.924 2.552 20 0 GFADRO CN(C)S(=O)(=O)c1cccc(C[NH2+]C[C@H](O)c2ccc(F)cc2Cl)c1 ZINC000819219318 660250491 /nfs/dbraw/zinc/25/04/91/660250491.db2.gz OYQFDAOTYIECTC-KRWDZBQOSA-N 1 0 386.876 2.553 20 0 GFADRO CCN(C)C(=O)[C@@H](C)[NH2+]C[C@](C)(O)c1ccc(Br)cc1Cl ZINC000819258484 660252386 /nfs/dbraw/zinc/25/23/86/660252386.db2.gz NVGZLPUBJHCHEZ-BMIGLBTASA-N 1 0 377.710 2.766 20 0 GFADRO C[S@@](=O)C1(C[NH2+]C[C@@](C)(O)c2ccc(Br)cc2F)CCC1 ZINC000819285551 660253583 /nfs/dbraw/zinc/25/35/83/660253583.db2.gz ILWZINFCIRGHTP-SPLOXXLWSA-N 1 0 378.307 2.687 20 0 GFADRO C[C@H](CCNS(=O)(=O)c1ccccc1)[NH2+]C[C@H](O)c1ccccc1Cl ZINC000819297593 660253987 /nfs/dbraw/zinc/25/39/87/660253987.db2.gz FVHTXDROQCJMIX-KDOFPFPSSA-N 1 0 382.913 2.720 20 0 GFADRO CC(C)(C)OC(=O)NC[C@](C)(O)C[NH2+]CCOc1ccc(F)c(Cl)c1 ZINC000819341437 660255773 /nfs/dbraw/zinc/25/57/73/660255773.db2.gz OTHCIMNMWKYWCU-QGZVFWFLSA-N 1 0 376.856 2.723 20 0 GFADRO CC(=O)Nc1ccc(OC[C@@H](O)C[NH2+]CC[C@]2(C)CC2(Cl)Cl)cc1 ZINC000819350809 660256427 /nfs/dbraw/zinc/25/64/27/660256427.db2.gz RULVDYZFAXNQKK-GOEBONIOSA-N 1 0 375.296 2.948 20 0 GFADRO CCOC(=O)N1CC[C@H]([NH2+]C[C@@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000819238460 660251402 /nfs/dbraw/zinc/25/14/02/660251402.db2.gz GLVVFYOZYWBVJB-NWDGAFQWSA-N 1 0 377.268 2.554 20 0 GFADRO O=c1ccn(C[N@@H+]2CCC[C@H](n3ccnn3)C2)c2c(Br)cccc12 ZINC000819898705 660273104 /nfs/dbraw/zinc/27/31/04/660273104.db2.gz YLPDDXYVIGLWIO-ZDUSSCGKSA-N 1 0 388.269 2.650 20 0 GFADRO Cc1cc(C(=O)N2CC[C@@H]3C[N@@H+](C)C[C@H]32)nn1-c1ccccc1Br ZINC000820273055 660287193 /nfs/dbraw/zinc/28/71/93/660287193.db2.gz PHWNTRLMCAHAOD-CXAGYDPISA-N 1 0 389.297 2.719 20 0 GFADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C1(Br)CC1 ZINC000820453596 660293970 /nfs/dbraw/zinc/29/39/70/660293970.db2.gz WFKXBAWFTIJIBV-UHFFFAOYSA-N 1 0 382.302 2.703 20 0 GFADRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)c3cc(Br)c4nccnc4c3)C2)C1 ZINC000820608396 660298950 /nfs/dbraw/zinc/29/89/50/660298950.db2.gz IDBZFEOSYJNYTB-GOSISDBHSA-N 1 0 389.297 2.950 20 0 GFADRO O=C(C/C=C\c1ccc(Br)cc1)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000821056932 660314236 /nfs/dbraw/zinc/31/42/36/660314236.db2.gz GKAUQLZAACOUQH-DIIYHRTISA-N 1 0 381.314 2.815 20 0 GFADRO CC1(C)C(=O)N[C@@H]1C1CC[NH+](C[C@H](O)c2cccc(Br)c2)CC1 ZINC000821337372 660322073 /nfs/dbraw/zinc/32/20/73/660322073.db2.gz UNIMKFQWRDZCFM-JKSUJKDBSA-N 1 0 381.314 2.719 20 0 GFADRO O[C@H](CN1CCC[C@H]([NH+]2CCOCC2)CC1)c1cccc(Br)c1 ZINC000821257799 660319431 /nfs/dbraw/zinc/31/94/31/660319431.db2.gz CCJOLAJRTRFQNE-ZWKOTPCHSA-N 1 0 383.330 2.669 20 0 GFADRO CO[C@H]1CC[C@H]([N@@H+]2CCCN(S(=O)(=O)c3ccc(Cl)s3)CC2)C1 ZINC000821362419 660323227 /nfs/dbraw/zinc/32/32/27/660323227.db2.gz HJBXFSUQKKOLLW-STQMWFEESA-N 1 0 378.947 2.665 20 0 GFADRO Cn1nc(Br)cc1NC(=O)N(CC[NH+](C)C)Cc1ccccc1 ZINC000821467365 660326810 /nfs/dbraw/zinc/32/68/10/660326810.db2.gz WYRXYKPNSJSKQM-UHFFFAOYSA-N 1 0 380.290 2.778 20 0 GFADRO CN(C)c1nc(Cl)c(C(=O)Nc2ccccc2N2CC[NH+](C)CC2)s1 ZINC000822338069 660343170 /nfs/dbraw/zinc/34/31/70/660343170.db2.gz YCAFXTZFIWXEPK-UHFFFAOYSA-N 1 0 379.917 2.867 20 0 GFADRO Cc1nc(Br)ccc1NC(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000822338058 660343193 /nfs/dbraw/zinc/34/31/93/660343193.db2.gz VLFZGXARJMCBJC-CYBMUJFWSA-N 1 0 383.290 2.527 20 0 GFADRO CC[NH+](CC)CCOc1ccc(CNC(=O)c2cc(Br)n[nH]2)cc1 ZINC000822059795 660339807 /nfs/dbraw/zinc/33/98/07/660339807.db2.gz VIILVOPSIISGKT-UHFFFAOYSA-N 1 0 395.301 2.823 20 0 GFADRO CC[N@@H+]1CCCN(C(=O)C[C@H]2C(=O)Nc3c2cccc3Br)[C@H](C)C1 ZINC000822569976 660348089 /nfs/dbraw/zinc/34/80/89/660348089.db2.gz ZSLQJISQBXBAHO-TZMCWYRMSA-N 1 0 394.313 2.818 20 0 GFADRO CN(C)c1nc(Cl)c(C(=O)NC2CC[NH+](Cc3ccncc3)CC2)s1 ZINC000822600525 660349412 /nfs/dbraw/zinc/34/94/12/660349412.db2.gz UNHGJNNTJIPLFZ-UHFFFAOYSA-N 1 0 379.917 2.652 20 0 GFADRO O=c1[nH]c(Cc2noc([C@@H]3CCC[NH2+]C3)n2)nc2ccc(Br)cc12 ZINC000822920509 660358092 /nfs/dbraw/zinc/35/80/92/660358092.db2.gz YEYRDCXPLHDLLV-SECBINFHSA-N 1 0 390.241 2.539 20 0 GFADRO C[C@@H](c1nc(Cc2nc3ccc(Br)cc3c(=O)[nH]2)no1)[C@H](C)[NH3+] ZINC000822919396 660358098 /nfs/dbraw/zinc/35/80/98/660358098.db2.gz HAWWIGNAGKUQHV-SFYZADRCSA-N 1 0 378.230 2.522 20 0 GFADRO Brc1cc2c(cc1Cc1noc([C@@H]3C[C@]34CC[NH2+]C4)n1)OCO2 ZINC000822947096 660358726 /nfs/dbraw/zinc/35/87/26/660358726.db2.gz NEUNPZGCJLVXNK-QFYYESIMSA-N 1 0 378.226 2.619 20 0 GFADRO C[NH+](C)C1CCC(NC(=O)[C@@](C)(O)c2ccc(F)c(Br)c2)CC1 ZINC000823119038 660362344 /nfs/dbraw/zinc/36/23/44/660362344.db2.gz BQTPQJJZXZWRRN-FVKWTLKZSA-N 1 0 387.293 2.785 20 0 GFADRO CC(C)[C@H](C[NH+](C)C)NC(=O)c1ccc(I)cc1F ZINC000823306780 660368130 /nfs/dbraw/zinc/36/81/30/660368130.db2.gz ZHXNOJSAFJGSCR-ZDUSSCGKSA-N 1 0 378.229 2.746 20 0 GFADRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)c1cc(Br)cnc1Br ZINC000823133261 660362767 /nfs/dbraw/zinc/36/27/67/660362767.db2.gz LLGJITRWNHYGJQ-JTQLQIEISA-N 1 0 391.107 2.773 20 0 GFADRO [NH3+]CCCn1cc(-c2nc(C3(c4cccc(Br)c4)CC3)no2)nn1 ZINC000823172377 660363921 /nfs/dbraw/zinc/36/39/21/660363921.db2.gz OYGGZTNIXOIZEH-UHFFFAOYSA-N 1 0 389.257 2.519 20 0 GFADRO CC[C@H]1[NH2+]CC[C@@H]1c1nc(CNC(=O)c2ccc(Br)cc2)no1 ZINC000823199811 660364785 /nfs/dbraw/zinc/36/47/85/660364785.db2.gz GVZVUWMQRCSJPV-QWHCGFSZSA-N 1 0 379.258 2.618 20 0 GFADRO O=C(N[C@H]1C[C@@H]([NH+]2CCCC2)C1)c1cc2ccc(Br)cc2c(=O)o1 ZINC000823646901 660377368 /nfs/dbraw/zinc/37/73/68/660377368.db2.gz HKLDMVIUUDGTKV-OKILXGFUSA-N 1 0 391.265 2.912 20 0 GFADRO O=S(=O)(N1CCC([NH2+]Cc2cc3cc(Cl)cnc3o2)CC1)C(F)(F)F ZINC000824018149 660383855 /nfs/dbraw/zinc/38/38/55/660383855.db2.gz OBSACZLMXKHPNW-UHFFFAOYSA-N 1 0 397.806 2.885 20 0 GFADRO CC(C)[C@@H](CNC(=O)OC(C)(C)C)C[N@@H+]1CCC[C@@H](S(C)(=O)=O)CC1 ZINC000824339654 660390249 /nfs/dbraw/zinc/39/02/49/660390249.db2.gz YYLVPMPTHHIKFQ-JKSUJKDBSA-N 1 0 376.563 2.682 20 0 GFADRO Cn1c(Cl)cnc1-c1csc(NC(=O)N2CC[C@H]([NH+]3CC=CC3)C2)n1 ZINC000824508658 660395070 /nfs/dbraw/zinc/39/50/70/660395070.db2.gz SCQRBPDBPPHIKV-NSHDSACASA-N 1 0 378.889 2.675 20 0 GFADRO OCCCN1CCC[C@H]1C[NH2+]Cc1nc2ccc(Br)cc2s1 ZINC000824564683 660397291 /nfs/dbraw/zinc/39/72/91/660397291.db2.gz MKRVLRLIHKCGGH-ZDUSSCGKSA-N 1 0 384.343 2.995 20 0 GFADRO C[N@@H+](Cc1ccc(Br)c(F)c1)C[C@H](O)CNC(=O)OC(C)(C)C ZINC000824565218 660397309 /nfs/dbraw/zinc/39/73/09/660397309.db2.gz QRSIYCMKSWBTFY-GFCCVEGCSA-N 1 0 391.281 2.906 20 0 GFADRO COC(=O)c1ccc(C[NH2+]CCS(=O)(=O)Cc2ccccc2)cc1Cl ZINC000825168176 660412876 /nfs/dbraw/zinc/41/28/76/660412876.db2.gz VDLFQOXKCDTOIK-UHFFFAOYSA-N 1 0 381.881 2.831 20 0 GFADRO CCC1([NH+]2CCCC2)CCN(C(=O)c2cc(N)nc(Br)c2)CC1 ZINC000825227614 660416630 /nfs/dbraw/zinc/41/66/30/660416630.db2.gz ZTUXFGWAVAJQMV-UHFFFAOYSA-N 1 0 381.318 2.907 20 0 GFADRO COC(=O)c1cc(C[NH2+]C[C@@H](O)c2ccccc2Br)n(C)c1C ZINC000825343207 660421868 /nfs/dbraw/zinc/42/18/68/660421868.db2.gz JRSSXTJMYUAZIK-MRXNPFEDSA-N 1 0 381.270 2.706 20 0 GFADRO Cc1cccc(CN(CC[NH+](C)C)C(=O)c2cc(Br)n(C)n2)c1 ZINC000825694065 660437791 /nfs/dbraw/zinc/43/77/91/660437791.db2.gz PZSIPAYUUUZDFO-UHFFFAOYSA-N 1 0 379.302 2.695 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)c2cc(Br)n(C)n2)C1 ZINC000825831295 660443324 /nfs/dbraw/zinc/44/33/24/660443324.db2.gz VKHFWGXUKJBUQU-KGLIPLIRSA-N 1 0 383.334 2.909 20 0 GFADRO C[NH+](C)CCNC(=O)c1ccc(CNC(=O)CC[C@@H]2CC2(Cl)Cl)cc1 ZINC000826667543 660460694 /nfs/dbraw/zinc/46/06/94/660460694.db2.gz PUVHDNFLANCBRY-OAHLLOKOSA-N 1 0 386.323 2.568 20 0 GFADRO CCCC[NH+]1CCC(NC(=O)c2csc(I)n2)CC1 ZINC000827011816 660475521 /nfs/dbraw/zinc/47/55/21/660475521.db2.gz PEIOFPIARXBDNT-UHFFFAOYSA-N 1 0 393.294 2.742 20 0 GFADRO CCC[NH2+][C@H](C)C(=O)N1CC[C@@]2(C)[C@@H](C1)C2(Br)Br ZINC000852901707 661876921 /nfs/dbraw/zinc/87/69/21/661876921.db2.gz OUCLLIPBUPZGAO-FOGDFJRCSA-N 1 0 382.140 2.729 20 0 GFADRO CC[C@@H]1[NH2+]CC[C@H]1C(=O)N1CC[C@@]2(C)[C@@H](C1)C2(Br)Br ZINC000852901717 661876932 /nfs/dbraw/zinc/87/69/32/661876932.db2.gz PCJPDLFHFUOQDW-XZUYRWCXSA-N 1 0 394.151 2.729 20 0 GFADRO C[N@@H+]1CCCC[C@@H](CNC(=O)c2cc(Br)c3nccnc3c2)C1 ZINC000827202130 660484007 /nfs/dbraw/zinc/48/40/07/660484007.db2.gz RDKMBNFJJLUOEK-LBPRGKRZSA-N 1 0 377.286 2.854 20 0 GFADRO C[N@@H+]1CC[C@H]2CN(C(=O)c3csc(I)c3)CC[C@@H]21 ZINC000827319359 660489049 /nfs/dbraw/zinc/48/90/49/660489049.db2.gz NCQGMEMAWBSJKM-ONGXEEELSA-N 1 0 376.263 2.519 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(C(=O)C[C@@H]3Sc4ccc(Cl)cc4NC3=O)CC[C@H]21 ZINC000827356226 660490984 /nfs/dbraw/zinc/49/09/84/660490984.db2.gz MPDUUWHTSORRAT-XFJVYGCCSA-N 1 0 379.913 2.696 20 0 GFADRO Cn1nc2cc(Br)ccc2c1C(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000827233987 660485706 /nfs/dbraw/zinc/48/57/06/660485706.db2.gz VHBXJZCINUKXDU-ABAIWWIYSA-N 1 0 377.286 2.502 20 0 GFADRO CSC1(C[NH+]2CCC(n3nncc3I)CC2)CCC1 ZINC000827282832 660487559 /nfs/dbraw/zinc/48/75/59/660487559.db2.gz NOKVQDZLGRHMPI-UHFFFAOYSA-N 1 0 392.310 2.805 20 0 GFADRO C[N@@H+]1CC[C@@H](NC(=O)c2c(Br)nc3n2CCC3)[C@@H]1c1ccccc1 ZINC000827451582 660496307 /nfs/dbraw/zinc/49/63/07/660496307.db2.gz ITDXYTIRGNWSNE-HIFRSBDPSA-N 1 0 389.297 2.767 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2C(=O)[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC000827501539 660499712 /nfs/dbraw/zinc/49/97/12/660499712.db2.gz VSVAYIOMBZFFRU-YYQUZTFQSA-N 1 0 387.307 2.737 20 0 GFADRO CC(C)(C[NH2+]Cc1nc2ccccn2c1Br)[C@@]1(O)CCCOC1 ZINC000827594287 660504019 /nfs/dbraw/zinc/50/40/19/660504019.db2.gz FOHGFBYONGXKEM-QGZVFWFLSA-N 1 0 382.302 2.754 20 0 GFADRO O=C(c1cc(=O)[nH]cc1Br)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccccc1 ZINC000828205181 660539788 /nfs/dbraw/zinc/53/97/88/660539788.db2.gz XSYJVQLKYJYVSL-KBPBESRZSA-N 1 0 388.265 2.649 20 0 GFADRO C[N@@H+]1CC[C@H]2CN(C(=O)c3cnnn3-c3cccc(Cl)c3Cl)CC[C@@H]21 ZINC000828512593 660553555 /nfs/dbraw/zinc/55/35/55/660553555.db2.gz WODKWVRILVVRCX-AAEUAGOBSA-N 1 0 380.279 2.740 20 0 GFADRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2ccc(C(F)(F)Br)nc2)C1 ZINC000829209841 660585517 /nfs/dbraw/zinc/58/55/17/660585517.db2.gz XWVAGMAXMALKML-LLVKDONJSA-N 1 0 376.245 2.940 20 0 GFADRO C[N@H+]1CC=C(CNC(=O)c2cc(Br)ncc2Br)CC1 ZINC000867228392 662533568 /nfs/dbraw/zinc/53/35/68/662533568.db2.gz RAQZXYPEEUQBJU-UHFFFAOYSA-N 1 0 389.091 2.598 20 0 GFADRO O=C(N1CCC[C@H]1c1ccccc1I)[C@@]1(F)CC[NH2+]C1 ZINC000829598141 660602479 /nfs/dbraw/zinc/60/24/79/660602479.db2.gz FUVUKCAFIGRGKA-DZGCQCFKSA-N 1 0 388.224 2.656 20 0 GFADRO CC(C)c1ncc(Br)c(C(=O)NCc2cc(N(C)C)cc[nH+]2)n1 ZINC000829965476 660626983 /nfs/dbraw/zinc/62/69/83/660626983.db2.gz UWCFPJABYCBKHA-UHFFFAOYSA-N 1 0 378.274 2.754 20 0 GFADRO C[C@@H]1C[C@@H](N(C)S(=O)(=O)c2c[nH]nc2Cl)CC[N@@H+]1Cc1ccccc1 ZINC000830589867 660666274 /nfs/dbraw/zinc/66/62/74/660666274.db2.gz SBBBXBXVYDWZOT-HIFRSBDPSA-N 1 0 382.917 2.737 20 0 GFADRO C[C@H](NC(=O)[C@](C)([NH3+])c1ccc(Br)cc1)C(=O)OC1CCCC1 ZINC000831013003 660690344 /nfs/dbraw/zinc/69/03/44/660690344.db2.gz WMHCROFYDCFZOQ-APPDUMDISA-N 1 0 383.286 2.614 20 0 GFADRO CC(C)[N@@H+]1CCC[C@@H](NS(=O)(=O)c2cnc(Cl)c(Br)c2)C1 ZINC000831125722 660697483 /nfs/dbraw/zinc/69/74/83/660697483.db2.gz IWNFKJDTKFUIMN-SNVBAGLBSA-N 1 0 396.738 2.649 20 0 GFADRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NS(=O)(=O)c1c[nH]nc1Cl ZINC000831404915 660709697 /nfs/dbraw/zinc/70/96/97/660709697.db2.gz YAALWQGATPRZLP-HNNXBMFYSA-N 1 0 382.917 2.642 20 0 GFADRO Cc1cc([C@H]([NH3+])CC(=O)N2CCN(CC(F)(F)F)[C@@H](C)C2)cc(Cl)n1 ZINC000831480308 660711239 /nfs/dbraw/zinc/71/12/39/660711239.db2.gz CRLHDYGCHXZMPM-WCQYABFASA-N 1 0 378.826 2.528 20 0 GFADRO COc1ccc([C@H](C[NH+](C)C)NC(=O)c2sc(N(C)C)nc2Cl)cc1 ZINC000831572322 660713253 /nfs/dbraw/zinc/71/32/53/660713253.db2.gz UOOHCFCWNMHSEW-ZDUSSCGKSA-N 1 0 382.917 2.904 20 0 GFADRO C[N@H+](Cc1ccccc1)C1(CNC(=O)[C@@H]2C[C@]2(C)Br)CCOCC1 ZINC000831586674 660713638 /nfs/dbraw/zinc/71/36/38/660713638.db2.gz PQYAMRMOBQBURO-WMZOPIPTSA-N 1 0 395.341 2.957 20 0 GFADRO C[NH+]1CCC2(CC1)CN(C(=O)Nc1nc(CC(F)(F)F)cs1)CCO2 ZINC000831839656 660731079 /nfs/dbraw/zinc/73/10/79/660731079.db2.gz GEXYBZQNGFLWAU-UHFFFAOYSA-N 1 0 378.420 2.576 20 0 GFADRO [NH3+][C@@H](CC(=O)NCc1cc(Cl)cc(I)c1)C1CC1 ZINC000831748637 660724306 /nfs/dbraw/zinc/72/43/06/660724306.db2.gz IKOVQQLUYMKYTP-LBPRGKRZSA-N 1 0 378.641 2.688 20 0 GFADRO CC(C)[N@@H+]1CCC[C@H](NC(=O)[C@@]2(C)CC2(Br)Br)C1 ZINC000832295698 660771872 /nfs/dbraw/zinc/77/18/72/660771872.db2.gz FSBGKCFKKGGHKR-CMPLNLGQSA-N 1 0 382.140 2.872 20 0 GFADRO C[C@H]1CN(C(=O)c2c(Cl)nc3cc(Cl)ccn32)CC[N@@H+]1CC(C)(C)O ZINC000832677171 660794164 /nfs/dbraw/zinc/79/41/64/660794164.db2.gz FJFSOYFZRSTDIC-NSHDSACASA-N 1 0 385.295 2.558 20 0 GFADRO COC(=O)C1=C(C)O[C@@H](C[N@H+](C)C[C@H](O)c2ccccc2Br)C1 ZINC000832680849 660794945 /nfs/dbraw/zinc/79/49/45/660794945.db2.gz XOLZHIMTHUMVKN-WBMJQRKESA-N 1 0 384.270 2.650 20 0 GFADRO C[C@H]([NH3+])[C@H]1CN(C(=O)COc2ccc(C3SCCCS3)cc2)CCO1 ZINC000834323261 660814256 /nfs/dbraw/zinc/81/42/56/660814256.db2.gz XZOUBBQEKJEPTD-XJKSGUPXSA-N 1 0 382.551 2.509 20 0 GFADRO CC(=O)N1CCC([NH2+]C[C@@](C)(O)c2ccc(Br)cc2Cl)CC1 ZINC000834353040 660815676 /nfs/dbraw/zinc/81/56/76/660815676.db2.gz BBTBXEWYKNASMJ-MRXNPFEDSA-N 1 0 389.721 2.911 20 0 GFADRO CC(C)[C@H](C[NH2+][C@H](C)c1nc(Br)cs1)N1CCN(C)CC1 ZINC000834502817 660822733 /nfs/dbraw/zinc/82/27/33/660822733.db2.gz UJCBJXUJZNCEQK-OLZOCXBDSA-N 1 0 375.380 2.828 20 0 GFADRO C[NH+](C)C[C@@]1(O)CCCN(C(=O)Cc2ccc(Cl)cc2Br)C1 ZINC000834569264 660825286 /nfs/dbraw/zinc/82/52/86/660825286.db2.gz LNICHIKDAAVUHU-INIZCTEOSA-N 1 0 389.721 2.560 20 0 GFADRO C[NH+](C)C[C@]1(O)CCCN(C(=O)c2cc3c(ccc(F)c3Br)[nH]2)C1 ZINC000834569505 660825314 /nfs/dbraw/zinc/82/53/14/660825314.db2.gz QMTLJMYQZWVORO-QGZVFWFLSA-N 1 0 398.276 2.598 20 0 GFADRO Cc1ccc(/C=C/C(=O)N2CCC[C@@](O)(C[NH+](C)C)C2)c(Br)c1 ZINC000834569664 660825457 /nfs/dbraw/zinc/82/54/57/660825457.db2.gz SKKMZLPIVLVDBF-LKGOPFMKSA-N 1 0 381.314 2.686 20 0 GFADRO CC1([NH+]2CCC2)CCC(NC(=O)c2cncc(I)c2)CC1 ZINC000834786330 660833110 /nfs/dbraw/zinc/83/31/10/660833110.db2.gz OPCTUIJUEFIIGM-UHFFFAOYSA-N 1 0 399.276 2.823 20 0 GFADRO C[C@@H]([NH2+]CCS(=O)(=O)C1CCOCC1)c1ccc(Br)c(F)c1 ZINC000834890359 660837119 /nfs/dbraw/zinc/83/71/19/660837119.db2.gz NDGYMVRNHQYEFR-LLVKDONJSA-N 1 0 394.306 2.833 20 0 GFADRO CSc1nc2ccc(NC(=O)N3C[C@@H](C)N(CCO)[C@@H](C)C3)cc2s1 ZINC000836207755 660895306 /nfs/dbraw/zinc/89/53/06/660895306.db2.gz HLQOPGVBQMXKQP-TXEJJXNPSA-N 1 0 380.539 2.937 20 0 GFADRO O=C(NC[C@@H](O)c1ccccc1Br)NCC1CC[NH+](C2CC2)CC1 ZINC000836428346 660905163 /nfs/dbraw/zinc/90/51/63/660905163.db2.gz KGFMKODOCPEZLH-QGZVFWFLSA-N 1 0 396.329 2.656 20 0 GFADRO CC[NH+]1CCN(CC(C)(C)NC(=O)Nc2cc(Br)ncc2C)CC1 ZINC000836541480 660915117 /nfs/dbraw/zinc/91/51/17/660915117.db2.gz XOKOENRLECYWER-UHFFFAOYSA-N 1 0 398.349 2.690 20 0 GFADRO C[C@]1(CNC(=O)N2CCC(CC[NH+]3CCOCC3)CC2)CC1(Cl)Cl ZINC000836594864 660919182 /nfs/dbraw/zinc/91/91/82/660919182.db2.gz WNMPKNIVROMLFI-MRXNPFEDSA-N 1 0 378.344 2.714 20 0 GFADRO C[C@]1(CCNC(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)CC1(Cl)Cl ZINC000836624647 660922446 /nfs/dbraw/zinc/92/24/46/660922446.db2.gz SCUONIUGOHBOEQ-ZBFHGGJFSA-N 1 0 378.344 2.714 20 0 GFADRO Cc1c(Br)nccc1NC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000836677655 660925870 /nfs/dbraw/zinc/92/58/70/660925870.db2.gz JUCBLZCMYZMUTH-ZDUSSCGKSA-N 1 0 397.317 2.775 20 0 GFADRO O=C(COc1ccc(F)cc1Br)N1CCN(c2cc[nH+]cc2)CC1 ZINC000008122059 654479347 /nfs/dbraw/zinc/47/93/47/654479347.db2.gz URAOYAYPLQOBPJ-UHFFFAOYSA-N 1 0 394.244 2.711 20 0 GFADRO C[C@@H]1CN(C(=O)c2cc(Br)nn2C)CC[N@H+](Cc2ccccc2)C1 ZINC000836920776 660957267 /nfs/dbraw/zinc/95/72/67/660957267.db2.gz VMVSOEIUOXGJHD-AWEZNQCLSA-N 1 0 391.313 2.777 20 0 GFADRO C[C@@H]([NH2+][C@@H](C)c1ccc(Br)cc1)C(=O)NC(=O)NCC(F)(F)F ZINC000025237885 654547399 /nfs/dbraw/zinc/54/73/99/654547399.db2.gz FMVWPRSXZQJMAA-DTWKUNHWSA-N 1 0 396.207 2.876 20 0 GFADRO COCCNC(=S)C(C(=O)c1ccc(OC)c(Cl)c1)[n+]1ccccc1 ZINC000027306703 654563846 /nfs/dbraw/zinc/56/38/46/654563846.db2.gz DHXDEHJBTNYVKG-UHFFFAOYSA-O 1 0 379.889 2.811 20 0 GFADRO C[C@H](C[NH+]1CCCCC1)NC(=O)[C@@H](C)NC(=O)c1ccc(Br)cc1 ZINC000027743455 654565469 /nfs/dbraw/zinc/56/54/69/654565469.db2.gz UONVKOJGSUZXKA-ZIAGYGMSSA-N 1 0 396.329 2.558 20 0 GFADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)Cc2csc(-c3cccs3)n2)C1 ZINC000028015310 654568345 /nfs/dbraw/zinc/56/83/45/654568345.db2.gz NQHCEQFAPSGRKM-HNNXBMFYSA-N 1 0 379.551 2.887 20 0 GFADRO CSCC[C@@H]1NC(=S)N(CC(C)(C)[N@@H+]2CCc3ccccc3C2)C1=O ZINC000028961915 654573719 /nfs/dbraw/zinc/57/37/19/654573719.db2.gz XYVKPYXCPAMQQR-INIZCTEOSA-N 1 0 377.579 2.662 20 0 GFADRO CC[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(Cl)c(S(=O)(=O)N(C)C)c2)C1 ZINC000030142076 654582818 /nfs/dbraw/zinc/58/28/18/654582818.db2.gz BTFAWPGPLYHFFL-CYBMUJFWSA-N 1 0 387.933 2.651 20 0 GFADRO O=C(c1ccccc1I)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000037916837 654616079 /nfs/dbraw/zinc/61/60/79/654616079.db2.gz RPJUMOILAMUPCD-SWLSCSKDSA-N 1 0 384.261 2.895 20 0 GFADRO CC[NH+]1CCN(CCCNC(=O)C2(c3ccc(Br)cc3)CC2)CC1 ZINC000041442139 654626758 /nfs/dbraw/zinc/62/67/58/654626758.db2.gz CRCLXQNFFPMRNY-UHFFFAOYSA-N 1 0 394.357 2.625 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)Nc1ccc(Br)cc1F ZINC000041663961 654629344 /nfs/dbraw/zinc/62/93/44/654629344.db2.gz GZKARIQNYFWKHB-LLVKDONJSA-N 1 0 386.265 2.517 20 0 GFADRO C[NH+](C)CC(C)(C)NC(=O)c1nc(Br)ccc1Br ZINC000837239060 660980053 /nfs/dbraw/zinc/98/00/53/660980053.db2.gz GSPGDIRYVALCIY-UHFFFAOYSA-N 1 0 379.096 2.677 20 0 GFADRO C[NH+]1CCN(c2cc(CNC(=S)Nc3cccc(Cl)c3)ccn2)CC1 ZINC000044153785 654654520 /nfs/dbraw/zinc/65/45/20/654654520.db2.gz AGSDQELOUSKCCZ-UHFFFAOYSA-N 1 0 375.929 2.973 20 0 GFADRO Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC000044863098 654664240 /nfs/dbraw/zinc/66/42/40/654664240.db2.gz KNMSZMYRGXJLMC-CQSZACIVSA-N 1 0 385.892 2.557 20 0 GFADRO Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC000044863104 654664250 /nfs/dbraw/zinc/66/42/50/654664250.db2.gz ANAMXUIKEXFQOT-INIZCTEOSA-N 1 0 381.929 2.726 20 0 GFADRO O=C(c1cc(F)ccc1Br)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000046046675 654674365 /nfs/dbraw/zinc/67/43/65/654674365.db2.gz ZXZHGXOSUVOYDH-AWEZNQCLSA-N 1 0 385.277 2.915 20 0 GFADRO CC[N@H+](CC(=O)N1CCN(Cc2ccc(Br)s2)CC1)C1CC1 ZINC000046058977 654674432 /nfs/dbraw/zinc/67/44/32/654674432.db2.gz UVNCKRFFRCPZNI-UHFFFAOYSA-N 1 0 386.359 2.639 20 0 GFADRO O=S(=O)(N[C@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc(OC(F)F)c(Cl)c1 ZINC000046036513 654674478 /nfs/dbraw/zinc/67/44/78/654674478.db2.gz GEBHEOVIJUNCDB-QWHCGFSZSA-N 1 0 380.844 2.847 20 0 GFADRO C[C@H]1CCCC[N@@H+]1CCNC(=O)CCNC(=O)c1ccc(Br)cc1 ZINC000047145209 654690835 /nfs/dbraw/zinc/69/08/35/654690835.db2.gz HRLFFRMVKNIMCW-AWEZNQCLSA-N 1 0 396.329 2.560 20 0 GFADRO CCOC(=O)N[C@H]1CCC[N@H+](C[C@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000047796582 654700895 /nfs/dbraw/zinc/70/08/95/654700895.db2.gz WMTJZHGPBWYIHD-KBPBESRZSA-N 1 0 391.295 2.944 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000048773059 654712984 /nfs/dbraw/zinc/71/29/84/654712984.db2.gz CXMBWWNTWPQOTJ-UHFFFAOYSA-N 1 0 396.329 2.993 20 0 GFADRO CCN1CC[NH+](C[C@H](C)CNC(=O)c2cc(F)ccc2Br)CC1 ZINC000122176657 654730471 /nfs/dbraw/zinc/73/04/71/654730471.db2.gz MJILKUCLHKFQGG-CYBMUJFWSA-N 1 0 386.309 2.592 20 0 GFADRO COc1ccc(C[NH2+]CCNS(=O)(=O)c2cccs2)c2ccccc12 ZINC000122174789 654730599 /nfs/dbraw/zinc/73/05/99/654730599.db2.gz HDXOYYUHJLINJU-UHFFFAOYSA-N 1 0 376.503 2.978 20 0 GFADRO C[C@@H]1Cc2cc(S(=O)(=O)N3CC[C@@H]4[C@H](CCC[N@@H+]4C)C3)cc(Cl)c2O1 ZINC000122346001 654735046 /nfs/dbraw/zinc/73/50/46/654735046.db2.gz XFJMWEPAIUKVTR-PBFPGSCMSA-N 1 0 384.929 2.768 20 0 GFADRO CC[NH+]1CCC(CNS(=O)(=O)c2cc(Br)sc2C)CC1 ZINC000122429130 654736441 /nfs/dbraw/zinc/73/64/41/654736441.db2.gz IHDQNWMEFMXSTA-UHFFFAOYSA-N 1 0 381.361 2.829 20 0 GFADRO C[NH+](C)Cc1ccccc1NC(=O)CNC(=O)c1ccc(Br)s1 ZINC000052666527 654737813 /nfs/dbraw/zinc/73/78/13/654737813.db2.gz CSELPIJDFYTGMX-UHFFFAOYSA-N 1 0 396.310 2.941 20 0 GFADRO CC[NH2+]Cc1cccc(NC(=O)CN(C)C(=O)c2ccc(Br)o2)c1 ZINC000122935050 654747477 /nfs/dbraw/zinc/74/74/77/654747477.db2.gz CKVCGLPSIFBHFE-UHFFFAOYSA-N 1 0 394.269 2.862 20 0 GFADRO CCCS(=O)(=O)N1CCC([NH2+]Cc2ccc(F)c(Br)c2)CC1 ZINC000122941722 654747715 /nfs/dbraw/zinc/74/77/15/654747715.db2.gz MPIGVKSIQBWMKV-UHFFFAOYSA-N 1 0 393.322 2.882 20 0 GFADRO Cc1ccc(NC(=O)C(=O)NC2CC[NH+](CC(C)C)CC2)cc1Br ZINC000123213572 654753549 /nfs/dbraw/zinc/75/35/49/654753549.db2.gz PVDNOCOHEOWZCL-UHFFFAOYSA-N 1 0 396.329 2.933 20 0 GFADRO Cc1cccc(OCC[NH+]2CCC(NS(=O)(=O)c3cccs3)CC2)c1 ZINC000054146345 654757375 /nfs/dbraw/zinc/75/73/75/654757375.db2.gz ABQJLXFFLWFXRY-UHFFFAOYSA-N 1 0 380.535 2.878 20 0 GFADRO C[C@H]1C[NH+](CCCNC(=O)Cc2ccc(F)c(Br)c2)C[C@H](C)O1 ZINC000054174030 654758153 /nfs/dbraw/zinc/75/81/53/654758153.db2.gz WZTVKIDXXBMIJV-STQMWFEESA-N 1 0 387.293 2.746 20 0 GFADRO C[NH+]1CCC([C@H]2CCN(C(=O)c3c(Br)nc4n3CCCC4)C2)CC1 ZINC000837497133 661001798 /nfs/dbraw/zinc/00/17/98/661001798.db2.gz ZZVKGJKZJCQOMG-AWEZNQCLSA-N 1 0 395.345 2.786 20 0 GFADRO CCOC(=O)N[C@H]1CCC[N@H+](CCC(=O)Nc2cccc(Br)c2)C1 ZINC000123943302 654766589 /nfs/dbraw/zinc/76/65/89/654766589.db2.gz BGZVFYGUFINLHG-HNNXBMFYSA-N 1 0 398.301 2.988 20 0 GFADRO C[C@H](Sc1cc(Cl)ccc1Cl)C(=O)NCCN1CC[NH+](C)CC1 ZINC000055095482 654768681 /nfs/dbraw/zinc/76/86/81/654768681.db2.gz VCMNJQAKLINSBR-LBPRGKRZSA-N 1 0 376.353 2.838 20 0 GFADRO O=C(Nc1cc(Br)ccc1F)C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000124601675 654779111 /nfs/dbraw/zinc/77/91/11/654779111.db2.gz JNPZUGUKCJINSS-GFCCVEGCSA-N 1 0 398.276 2.660 20 0 GFADRO COC(=O)c1cc(S(=O)(=O)N(C)C2CCC([NH3+])CC2)c(Cl)cc1Cl ZINC000124878897 654783301 /nfs/dbraw/zinc/78/33/01/654783301.db2.gz KJHFILXOPATTGZ-UHFFFAOYSA-N 1 0 395.308 2.670 20 0 GFADRO C[N@@H+]1CCC[C@@H]1CCSc1nnc(-c2cccc(Br)c2)n1N ZINC000125163105 654788986 /nfs/dbraw/zinc/78/89/86/654788986.db2.gz KAYCREDEMVZXEF-CYBMUJFWSA-N 1 0 382.331 2.998 20 0 GFADRO C[C@@H]1C[NH2+]CCN1C(=O)CCCCc1ccc(I)cc1 ZINC000125318328 654791040 /nfs/dbraw/zinc/79/10/40/654791040.db2.gz LODNHEINRNULAG-CYBMUJFWSA-N 1 0 386.277 2.824 20 0 GFADRO CC(C)[N@@H+]1CCCC[C@H]1COC(=O)c1cnn2cc(Br)cnc12 ZINC000837613941 661008175 /nfs/dbraw/zinc/00/81/75/661008175.db2.gz VKEXTEXHQDMJGL-ZDUSSCGKSA-N 1 0 381.274 2.912 20 0 GFADRO COc1cc(CNC(=O)c2ccc(Br)o2)ccc1OCC[NH+](C)C ZINC000125473467 654795704 /nfs/dbraw/zinc/79/57/04/654795704.db2.gz DICIGWZQEAKZOQ-UHFFFAOYSA-N 1 0 397.269 2.921 20 0 GFADRO CN1CC[NH+](CC2CCN(C(=O)c3ccc(Br)cc3)CC2)CC1 ZINC000057065496 654799305 /nfs/dbraw/zinc/79/93/05/654799305.db2.gz GVVGHJQZYBKCHX-UHFFFAOYSA-N 1 0 380.330 2.549 20 0 GFADRO C[N@H+](C[C@@H](O)COCc1ccco1)[C@@H](CO)c1cccc(Br)c1 ZINC000125807361 654802550 /nfs/dbraw/zinc/80/25/50/654802550.db2.gz DDUBSQYBLZKVMW-WBVHZDCISA-N 1 0 384.270 2.585 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)CS(=O)(=O)c1ccc(Cl)cc1)C1CCCCC1 ZINC000057374943 654806295 /nfs/dbraw/zinc/80/62/95/654806295.db2.gz YDZSTYVQXMIUCK-QGZVFWFLSA-N 1 0 386.945 2.740 20 0 GFADRO COCC[NH+]1CCC(NC(=O)[C@H](C)Cc2ccc(Br)cc2)CC1 ZINC000127361592 654827386 /nfs/dbraw/zinc/82/73/86/654827386.db2.gz HGCNXSRHRXVKGV-CQSZACIVSA-N 1 0 383.330 2.855 20 0 GFADRO COC1CC[NH+](CCNC(=O)c2c(F)cc(Br)cc2F)CC1 ZINC000127379646 654828162 /nfs/dbraw/zinc/82/81/62/654828162.db2.gz MZDWTGUMUGTAQI-UHFFFAOYSA-N 1 0 377.229 2.568 20 0 GFADRO O=C(CSc1nnc(-c2ccc(Cl)cc2)o1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000060470401 654830263 /nfs/dbraw/zinc/83/02/63/654830263.db2.gz NKUYFAWRGIOMTI-ZDUSSCGKSA-N 1 0 378.885 2.835 20 0 GFADRO O=C(c1ccccc1I)N1CCC([NH2+]CC2CC2)CC1 ZINC000127516006 654830932 /nfs/dbraw/zinc/83/09/32/654830932.db2.gz FZBNGCWVJJPWSV-UHFFFAOYSA-N 1 0 384.261 2.895 20 0 GFADRO COc1cc([C@@H](C)[NH2+]CCN2CCCCC2)ccc1S(=O)(=O)C(F)F ZINC000128254645 654843404 /nfs/dbraw/zinc/84/34/04/654843404.db2.gz YBKDKPROYYNCFT-CYBMUJFWSA-N 1 0 376.469 2.828 20 0 GFADRO Cc1ccc(NC(=O)C(=O)NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)c(Br)c1 ZINC000062121029 654843854 /nfs/dbraw/zinc/84/38/54/654843854.db2.gz NDJZQDQESKPIIR-ZIAGYGMSSA-N 1 0 396.329 2.933 20 0 GFADRO CCC[NH+]1CCC(CNC(=O)C(=O)Nc2ccc(Br)cc2)CC1 ZINC000128609191 654848588 /nfs/dbraw/zinc/84/85/88/654848588.db2.gz AZDMDVCDVLGHGA-UHFFFAOYSA-N 1 0 382.302 2.626 20 0 GFADRO C[C@H](CNS(=O)(=O)c1cccc(OC(F)(F)F)c1)[NH+]1CCC(C)CC1 ZINC000063518959 654853866 /nfs/dbraw/zinc/85/38/66/654853866.db2.gz PGTOBKUNEBOJTN-CYBMUJFWSA-N 1 0 380.432 2.984 20 0 GFADRO Cc1ccc(Br)c(NC(=O)NC[C@H](O)C[NH+]2CCC(C)CC2)c1 ZINC000129133503 654857861 /nfs/dbraw/zinc/85/78/61/654857861.db2.gz IMGTVVPXBGWUJS-AWEZNQCLSA-N 1 0 384.318 2.972 20 0 GFADRO COCCn1cc(C[NH2+]CCOc2ncc(C(F)(F)F)cc2Cl)cn1 ZINC000266128408 654858441 /nfs/dbraw/zinc/85/84/41/654858441.db2.gz CFQKSVKLWBZHEW-UHFFFAOYSA-N 1 0 378.782 2.765 20 0 GFADRO CCC(O)(CC)C[NH2+]Cc1cc(I)c(OC)c(OC)c1 ZINC000063917942 654859706 /nfs/dbraw/zinc/85/97/06/654859706.db2.gz USKLTCJTJLUOID-UHFFFAOYSA-N 1 0 393.265 2.949 20 0 GFADRO OCC1CC[NH+](CCCOc2cccc(I)c2)CC1 ZINC000064141696 654863082 /nfs/dbraw/zinc/86/30/82/654863082.db2.gz PMIBYRQVWJYOIC-UHFFFAOYSA-N 1 0 375.250 2.764 20 0 GFADRO Cc1ccc(Br)c(NC(=O)NC2CCN(CC[NH+](C)C)CC2)c1 ZINC000129965375 654879070 /nfs/dbraw/zinc/87/90/70/654879070.db2.gz BPEKTOSOBXOBMS-UHFFFAOYSA-N 1 0 383.334 2.905 20 0 GFADRO C[C@@H](CNC(=O)C(=O)Nc1cccc(Br)c1)[NH+]1CCC(C)CC1 ZINC000065601988 654881775 /nfs/dbraw/zinc/88/17/75/654881775.db2.gz BLIBBEGOZXTHHW-ZDUSSCGKSA-N 1 0 382.302 2.624 20 0 GFADRO CC[C@@H](C)[N@H+](C)CCNC(=O)c1nnn(-c2cccc(Br)c2)c1C ZINC000066124879 654895468 /nfs/dbraw/zinc/89/54/68/654895468.db2.gz OHPZXEVWGRPDGB-GFCCVEGCSA-N 1 0 394.317 2.798 20 0 GFADRO COc1cc([C@H](C)[NH2+]C[C@@H](C)N(C)C2CC2)ccc1S(=O)(=O)C(F)F ZINC000131006680 654895667 /nfs/dbraw/zinc/89/56/67/654895667.db2.gz CKJGUTUOUDNXEK-NEPJUHHUSA-N 1 0 376.469 2.825 20 0 GFADRO O=C(CCOc1cccc(Br)c1)N1CC[NH+](C2CCOCC2)CC1 ZINC000266957279 654900899 /nfs/dbraw/zinc/90/08/99/654900899.db2.gz BAOVGYQYJRIPTB-UHFFFAOYSA-N 1 0 397.313 2.541 20 0 GFADRO CC[NH+]1CCC(CNC(=O)C[C@@H]2Sc3ccc(Cl)cc3NC2=O)CC1 ZINC000066454251 654902405 /nfs/dbraw/zinc/90/24/05/654902405.db2.gz VUVAJEHLTQLGTA-INIZCTEOSA-N 1 0 381.929 2.991 20 0 GFADRO C[C@@H](Oc1cccc(Br)c1)C(=O)NCCCC[N@@H+]1CCC[C@@H]1CO ZINC000131345182 654902966 /nfs/dbraw/zinc/90/29/66/654902966.db2.gz DUSFNKPELYHSER-GDBMZVCRSA-N 1 0 399.329 2.570 20 0 GFADRO O=C1c2cc(Cl)c(Cl)cc2C(=O)N1CN1CC[C@H](C[NH+]2CCCC2)C1 ZINC000131356676 654903245 /nfs/dbraw/zinc/90/32/45/654903245.db2.gz WMOKAMWXHQHYED-GFCCVEGCSA-N 1 0 382.291 2.965 20 0 GFADRO O=C(COc1ccc(Cl)cc1Cl)NCCCC[N@H+]1CCC[C@H]1CO ZINC000131456291 654907911 /nfs/dbraw/zinc/90/79/11/654907911.db2.gz XRLJSNFMUBXUOS-AWEZNQCLSA-N 1 0 375.296 2.725 20 0 GFADRO C[NH+]1CCC(O)(CNC(=O)CCSc2ccc(Br)cc2)CC1 ZINC000267107251 654911353 /nfs/dbraw/zinc/91/13/53/654911353.db2.gz MLMYKZSIYUDZKK-UHFFFAOYSA-N 1 0 387.343 2.504 20 0 GFADRO COCCN(CC[NH+](C)C)C(=O)NCCCc1cccc(Br)c1 ZINC000066716773 654912962 /nfs/dbraw/zinc/91/29/62/654912962.db2.gz VHSAKGLYKJNJAK-UHFFFAOYSA-N 1 0 386.334 2.601 20 0 GFADRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)c1cc(F)c(F)cc1Br ZINC000131944190 654922627 /nfs/dbraw/zinc/92/26/27/654922627.db2.gz OFHIUTJNVGQLFZ-NSHDSACASA-N 1 0 391.256 2.910 20 0 GFADRO CCOc1cc(Br)c(CC(=O)NCC[N@H+](C)CC)cc1OCC ZINC000066949297 654923250 /nfs/dbraw/zinc/92/32/50/654923250.db2.gz NVUQYAIWMITJBG-UHFFFAOYSA-N 1 0 387.318 2.857 20 0 GFADRO COCC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000067118719 654930251 /nfs/dbraw/zinc/93/02/51/654930251.db2.gz NCVOQBRININYOV-CYBMUJFWSA-N 1 0 381.325 2.524 20 0 GFADRO Cc1ccc(NC(=O)NC[C@H](O)C[NH+]2CCC(C)CC2)cc1Br ZINC000067539399 654940714 /nfs/dbraw/zinc/94/07/14/654940714.db2.gz YIBVMWJMQOPTOI-HNNXBMFYSA-N 1 0 384.318 2.972 20 0 GFADRO C[NH+]1CCC(NC(=O)N2CCO[C@H](c3ccc(Br)cc3)C2)CC1 ZINC000067589951 654941657 /nfs/dbraw/zinc/94/16/57/654941657.db2.gz CNLNTPCRBKHBME-INIZCTEOSA-N 1 0 382.302 2.626 20 0 GFADRO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)CSc1cccc[n+]1[O-] ZINC000267820329 654947580 /nfs/dbraw/zinc/94/75/80/654947580.db2.gz HSWBQBRDCHCJKK-UHFFFAOYSA-N 1 0 379.448 2.535 20 0 GFADRO CC[NH+]1CCC(NC(=O)NC[C@@H](O)COc2cccc(Cl)c2Cl)CC1 ZINC000067921274 654948106 /nfs/dbraw/zinc/94/81/06/654948106.db2.gz VWQKJYZKQLRXPZ-CYBMUJFWSA-N 1 0 390.311 2.517 20 0 GFADRO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)NCC[N@@H+](C)C1CC1 ZINC000267963900 654954394 /nfs/dbraw/zinc/95/43/94/654954394.db2.gz MYAYDWHCGMAAHW-UHFFFAOYSA-N 1 0 379.254 2.688 20 0 GFADRO C[NH+](C)CCCOc1ccc(CNC(=O)NC[C@H]2CSCCS2)cc1 ZINC000268046809 654957035 /nfs/dbraw/zinc/95/70/35/654957035.db2.gz PDSFQAYJULSCRR-KRWDZBQOSA-N 1 0 383.583 2.665 20 0 GFADRO CCN1C(=S)N=NC1C1CCN(C(=O)c2sccc2C[NH+](C)C)CC1 ZINC000268057461 654957525 /nfs/dbraw/zinc/95/75/25/654957525.db2.gz YWPNBFKSYIUWQS-UHFFFAOYSA-N 1 0 379.555 2.730 20 0 GFADRO Cc1ccc(NC(=O)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)c(Br)c1 ZINC000133305389 654959989 /nfs/dbraw/zinc/95/99/89/654959989.db2.gz KMZYVQZXLISMJB-GFCCVEGCSA-N 1 0 384.318 2.789 20 0 GFADRO O=C(CCOc1cccc(Br)c1)NCCCC[N@H+]1CCC[C@@H]1CO ZINC000133841152 654974925 /nfs/dbraw/zinc/97/49/25/654974925.db2.gz CIUMRDHMFUCICA-MRXNPFEDSA-N 1 0 399.329 2.571 20 0 GFADRO COCCN1CCC[C@@H]1C[NH2+]CC1=Cc2cc(Br)ccc2OC1 ZINC000069171761 654975786 /nfs/dbraw/zinc/97/57/86/654975786.db2.gz GCICRCLGUBAIBX-QGZVFWFLSA-N 1 0 381.314 2.925 20 0 GFADRO CC(C)[NH+]1CCC(O)(CNC(=O)NCc2sccc2Br)CC1 ZINC000268521280 654976348 /nfs/dbraw/zinc/97/63/48/654976348.db2.gz YMGFKTPZWGIHNI-UHFFFAOYSA-N 1 0 390.347 2.545 20 0 GFADRO CC[C@H](Cc1ccccc1Br)NC(=O)CCN1CC[NH+](CC)CC1 ZINC000268571805 654978434 /nfs/dbraw/zinc/97/84/34/654978434.db2.gz XZEMLLFVAOXARB-QGZVFWFLSA-N 1 0 396.373 2.914 20 0 GFADRO CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H](C)NC(=O)c2cccc(Cl)c2Cl)C1 ZINC000069472607 654981922 /nfs/dbraw/zinc/98/19/22/654981922.db2.gz OOZSXHJAFQHJJW-OLZOCXBDSA-N 1 0 386.323 2.960 20 0 GFADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(Br)ccc1Cl ZINC000069527286 654983029 /nfs/dbraw/zinc/98/30/29/654983029.db2.gz NCCAQNGRZJYICZ-LBPRGKRZSA-N 1 0 375.694 2.943 20 0 GFADRO C[C@H]([NH2+]CCCOC[C@H]1CCCO1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000268738869 654985272 /nfs/dbraw/zinc/98/52/72/654985272.db2.gz OVSGVCGZLSCOTH-DZGCQCFKSA-N 1 0 377.453 2.919 20 0 GFADRO O=C(COc1ccc(Cl)c(Cl)c1)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000069711951 654985810 /nfs/dbraw/zinc/98/58/10/654985810.db2.gz BWSWHNJHBKOKKI-AWEZNQCLSA-N 1 0 387.307 2.943 20 0 GFADRO O=C(COc1cc(Cl)ccc1Cl)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000069746451 654986040 /nfs/dbraw/zinc/98/60/40/654986040.db2.gz ACWPSNWACUIEGX-CQSZACIVSA-N 1 0 387.307 2.943 20 0 GFADRO C[C@@H]1CN(CCO)CCN1C(=O)N[C@H]1CCOc2c(Cl)c(Cl)ccc21 ZINC000838564332 661049954 /nfs/dbraw/zinc/04/99/54/661049954.db2.gz BXHJFSREBHATJW-RISCZKNCSA-N 1 0 388.295 2.525 20 0 GFADRO CCC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@H](O)c1ccccc1Br ZINC000838590446 661050364 /nfs/dbraw/zinc/05/03/64/661050364.db2.gz HPTIKNZLSSAFEO-BBRMVZONSA-N 1 0 384.318 2.656 20 0 GFADRO CC(C)[N@H+](C)C[C@H](C)NC(=O)N(C)C[C@@H](O)c1ccccc1Br ZINC000838594850 661050391 /nfs/dbraw/zinc/05/03/91/661050391.db2.gz LJRUGCRALMYJPP-XJKSGUPXSA-N 1 0 386.334 2.853 20 0 GFADRO CCOc1cc(C[NH2+]C[C@](C)(O)COC)cc(Br)c1OC(F)F ZINC000069912439 654989210 /nfs/dbraw/zinc/98/92/10/654989210.db2.gz INQQNFQOYFLJMH-HNNXBMFYSA-N 1 0 398.244 2.936 20 0 GFADRO Cc1c(Br)cccc1NC(=O)C(=O)N1CCC[N@@H+](C(C)C)CC1 ZINC000069988467 654991307 /nfs/dbraw/zinc/99/13/07/654991307.db2.gz ARVRMCRYAHNIAW-UHFFFAOYSA-N 1 0 382.302 2.639 20 0 GFADRO O=C(Nc1ccccc1Br)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000269112913 654998120 /nfs/dbraw/zinc/99/81/20/654998120.db2.gz BHYBYEKDNIWSAI-HOTGVXAUSA-N 1 0 382.302 2.948 20 0 GFADRO CCOCCOc1ccc(Br)cc1/C=C/C(=O)NC1CC[NH2+]CC1 ZINC000269110824 654998253 /nfs/dbraw/zinc/99/82/53/654998253.db2.gz PDNYOKCLDIOCSZ-ZZXKWVIFSA-N 1 0 397.313 2.746 20 0 GFADRO C[C@H]1CN(C(=O)c2ccc(I)cc2Cl)CC[C@@H]1[NH3+] ZINC000269178242 655000723 /nfs/dbraw/zinc/00/07/23/655000723.db2.gz CIFXMDLFFWYZGD-UFBFGSQYSA-N 1 0 378.641 2.754 20 0 GFADRO C[C@H](NC(=O)c1c(F)cccc1I)[C@@H]1CCC[NH2+]C1 ZINC000269177731 655000726 /nfs/dbraw/zinc/00/07/26/655000726.db2.gz HIGQMBGPLGZFSZ-VHSXEESVSA-N 1 0 376.213 2.548 20 0 GFADRO C[C@@H]1CN(C(=O)[C@H](c2ccc(Cl)cc2Cl)N2CCOCC2)CC[C@@H]1[NH3+] ZINC000269188796 655001188 /nfs/dbraw/zinc/00/11/88/655001188.db2.gz GTRPHEWACPLUTQ-DQYPLSBCSA-N 1 0 386.323 2.562 20 0 GFADRO CCOc1ccc(Br)cc1CN(C(=O)C[C@@H]1C[NH2+]CCO1)C1CC1 ZINC000269223560 655002135 /nfs/dbraw/zinc/00/21/35/655002135.db2.gz MDSADKLDSXKWGX-MRXNPFEDSA-N 1 0 397.313 2.717 20 0 GFADRO C[C@@H]1CCC[N@@H+]1C1CCN(CC(=O)Nc2ccc(Br)cn2)CC1 ZINC000134763435 655003018 /nfs/dbraw/zinc/00/30/18/655003018.db2.gz FQUXEQZEOBXZPZ-CYBMUJFWSA-N 1 0 381.318 2.731 20 0 GFADRO Cn1cc(Br)cc1C(=O)Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)cn1 ZINC000269397422 655008436 /nfs/dbraw/zinc/00/84/36/655008436.db2.gz BZQHZKHCQHWPFB-CQSZACIVSA-N 1 0 392.301 2.575 20 0 GFADRO C[NH+](C)[C@@H]1CCN(c2ccc(NC(=O)c3cncc(Br)c3)nc2)C1 ZINC000269429822 655009275 /nfs/dbraw/zinc/00/92/75/655009275.db2.gz NUWNWFMNFVPBHV-OAHLLOKOSA-N 1 0 390.285 2.632 20 0 GFADRO CC[NH+](CC)C[C@@H]1CCN(S(=O)(=O)c2ccc3nc(Cl)cnc3c2)C1 ZINC000269504349 655011799 /nfs/dbraw/zinc/01/17/99/655011799.db2.gz MSBWVCUOFUTFCL-ZDUSSCGKSA-N 1 0 382.917 2.636 20 0 GFADRO COc1ccc(CC[NH2+]Cc2cccc(Cl)c2Cl)cc1S(N)(=O)=O ZINC000094013910 655025933 /nfs/dbraw/zinc/02/59/33/655025933.db2.gz NENKKJHLPWXTHT-UHFFFAOYSA-N 1 0 389.304 2.982 20 0 GFADRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)S(=O)(=O)c1cnc(C)s1 ZINC000269939686 655028301 /nfs/dbraw/zinc/02/83/01/655028301.db2.gz FHEZVRQOQBJEOH-QGZVFWFLSA-N 1 0 379.551 2.984 20 0 GFADRO O=C(c1cnccn1)N1CCC([NH2+]Cc2ccc(F)cc2Br)CC1 ZINC000136183414 655028559 /nfs/dbraw/zinc/02/85/59/655028559.db2.gz KAPDDVFMDPXUKF-UHFFFAOYSA-N 1 0 393.260 2.773 20 0 GFADRO O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)c1cc(F)cc(Br)c1 ZINC000136884615 655036548 /nfs/dbraw/zinc/03/65/48/655036548.db2.gz IPZCOUXANKBOGT-GFCCVEGCSA-N 1 0 385.277 2.819 20 0 GFADRO C[NH+](C)CCn1cc(NC(=O)CSCc2cccc(Cl)c2)ccc1=O ZINC000270276834 655039793 /nfs/dbraw/zinc/03/97/93/655039793.db2.gz UTQOGVYREGLTHN-UHFFFAOYSA-N 1 0 379.913 2.935 20 0 GFADRO CC(=O)N[C@H]1CCCN(C(=O)C[NH2+]C(C)(C)c2ccc(Cl)c(Cl)c2)C1 ZINC000101549833 655043287 /nfs/dbraw/zinc/04/32/87/655043287.db2.gz VSRYUCHJTPTACF-AWEZNQCLSA-N 1 0 386.323 2.945 20 0 GFADRO CC(C)OC[C@H](O)C[NH+]1CCC(C(=O)Nc2ccccc2Br)CC1 ZINC000101929405 655048775 /nfs/dbraw/zinc/04/87/75/655048775.db2.gz KNGMFIVMBGXZNN-OAHLLOKOSA-N 1 0 399.329 2.886 20 0 GFADRO CC[N@H+](CCNC(=O)C[C@H](NC(C)=O)c1ccc(Br)cc1)C(C)C ZINC000102496042 655055561 /nfs/dbraw/zinc/05/55/61/655055561.db2.gz UWKGCJCTTMYONL-KRWDZBQOSA-N 1 0 398.345 2.863 20 0 GFADRO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000152753722 655061559 /nfs/dbraw/zinc/06/15/59/655061559.db2.gz UCYFTZWDTUMWDK-LBPRGKRZSA-N 1 0 393.281 2.983 20 0 GFADRO C[NH+](C)CCCOC1CCN(C(=O)[C@H](O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000271063226 655065489 /nfs/dbraw/zinc/06/54/89/655065489.db2.gz WLBYJEYFMDKJGH-QGZVFWFLSA-N 1 0 389.323 2.986 20 0 GFADRO CN(CC[NH+]1CCCC1)C(=O)[C@@H]1CCN(c2cc(Cl)ccc2Cl)C1=O ZINC000103116261 655066995 /nfs/dbraw/zinc/06/69/95/655066995.db2.gz ZJGCCYSUWVRQAE-AWEZNQCLSA-N 1 0 384.307 2.901 20 0 GFADRO CN(CC[NH+]1CCCC1)C(=O)Cc1csc(NC(=O)c2cccs2)n1 ZINC000103119055 655067081 /nfs/dbraw/zinc/06/70/81/655067081.db2.gz OBMXJCKRCSUCTF-UHFFFAOYSA-N 1 0 378.523 2.554 20 0 GFADRO CSCC[C@@H]1NC(=S)N(C[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)C1=O ZINC000153504122 655067667 /nfs/dbraw/zinc/06/76/67/655067667.db2.gz GNOSZOKBWCYUES-QFBILLFUSA-N 1 0 377.579 2.880 20 0 GFADRO COc1cc(C[NH2+][C@@H]2CCO[C@@H](C)C2)cc(I)c1OC ZINC000271211618 655070725 /nfs/dbraw/zinc/07/07/25/655070725.db2.gz DGGUXUDTZUEMJQ-CMPLNLGQSA-N 1 0 391.249 2.966 20 0 GFADRO C[NH+]1CCC([C@@H]2CCN(S(=O)(=O)c3c[nH]c4nccc(Cl)c34)C2)CC1 ZINC000271237981 655072193 /nfs/dbraw/zinc/07/21/93/655072193.db2.gz XIIDCVUBVTXZRY-CYBMUJFWSA-N 1 0 382.917 2.569 20 0 GFADRO COc1cc([C@H](C)[NH2+]C2CCN(S(=O)(=O)C(F)(F)F)CC2)ccc1F ZINC000154211402 655074074 /nfs/dbraw/zinc/07/40/74/655074074.db2.gz ZEVNJFHSMHOHPS-JTQLQIEISA-N 1 0 384.395 2.799 20 0 GFADRO Cc1nn(C)c2ncc(C[NH2+][C@H](CO)c3ccc(Br)cc3)cc12 ZINC000271359921 655077658 /nfs/dbraw/zinc/07/76/58/655077658.db2.gz ZWURQNGPMZOKFO-MRXNPFEDSA-N 1 0 375.270 2.862 20 0 GFADRO CCOCCCNC(=[NH2+])NC[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000104177169 655079145 /nfs/dbraw/zinc/07/91/45/655079145.db2.gz IKIWKSHXCDORQY-AWEZNQCLSA-N 1 0 383.334 2.606 20 0 GFADRO C[C@@H]([NH2+]CC1(CO)CCOCC1)c1ccccc1I ZINC000271500662 655083439 /nfs/dbraw/zinc/08/34/39/655083439.db2.gz LVXPJSPDAGNNNS-GFCCVEGCSA-N 1 0 375.250 2.731 20 0 GFADRO CCCS(=O)(=O)N1CCC([NH2+]Cc2ccc(Br)c(F)c2)CC1 ZINC000155866935 655087940 /nfs/dbraw/zinc/08/79/40/655087940.db2.gz SWSSQFKCOCKREH-UHFFFAOYSA-N 1 0 393.322 2.882 20 0 GFADRO C[C@H](CNC(=O)N[C@H]1CCN(c2ccc(Br)cc2)C1)[N@H+](C)C1CC1 ZINC000105243461 655089773 /nfs/dbraw/zinc/08/97/73/655089773.db2.gz PZFDCBUSWBPCMF-HIFRSBDPSA-N 1 0 395.345 2.810 20 0 GFADRO COCCN(CC[NH+](C)C)C(=O)N[C@@H]1C[C@H]1c1ccccc1Br ZINC000105296806 655090214 /nfs/dbraw/zinc/09/02/14/655090214.db2.gz BBYAEBMBSOJSBB-GOEBONIOSA-N 1 0 384.318 2.525 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000105354547 655091021 /nfs/dbraw/zinc/09/10/21/655091021.db2.gz DXGBBXSCILITPE-UHFFFAOYSA-N 1 0 384.318 2.986 20 0 GFADRO C[C@H](C[NH2+]C1CCN(C(=O)N(C)C)CC1)Oc1cccc(Br)c1 ZINC000271699799 655091685 /nfs/dbraw/zinc/09/16/85/655091685.db2.gz SHTJJOSOVHDQFT-CYBMUJFWSA-N 1 0 384.318 2.952 20 0 GFADRO COc1cccc2c1OC[C@@H]([NH2+][C@@H](C(N)=O)c1ccc(Br)cc1)C2 ZINC000105402496 655092889 /nfs/dbraw/zinc/09/28/89/655092889.db2.gz GCECMPKJYJTWJG-GOEBONIOSA-N 1 0 391.265 2.577 20 0 GFADRO Cc1cc(C[NH2+][C@H]2CCO[C@]3(CCS(=O)(=O)C3)C2)ccc1Br ZINC000272103639 655102866 /nfs/dbraw/zinc/10/28/66/655102866.db2.gz WEASLNFGAFCNMN-GOEBONIOSA-N 1 0 388.327 2.583 20 0 GFADRO Cc1c(C(=O)NC2CC[NH+](C)CC2)cnn1-c1cccc(Br)c1 ZINC000106282970 655105578 /nfs/dbraw/zinc/10/55/78/655105578.db2.gz XSMUHLOBOAFXDS-UHFFFAOYSA-N 1 0 377.286 2.767 20 0 GFADRO C[N@@H+]1CC[C@H]2CCN(C(=O)c3ccc(I)c(F)c3)[C@H]2C1 ZINC000272517969 655115333 /nfs/dbraw/zinc/11/53/33/655115333.db2.gz POKXWTYYIQNJRS-HZMBPMFUSA-N 1 0 388.224 2.597 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000106962577 655115771 /nfs/dbraw/zinc/11/57/71/655115771.db2.gz IVLHNUZDIXQINX-AWEZNQCLSA-N 1 0 394.313 2.829 20 0 GFADRO CCCOc1c(Br)cc(C[NH2+]C[C@@H](COC)OC)cc1OC ZINC000272671514 655118612 /nfs/dbraw/zinc/11/86/12/655118612.db2.gz KNKZTTSVXLKHHC-ZDUSSCGKSA-N 1 0 376.291 2.998 20 0 GFADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)CCc1cc(Br)cs1 ZINC000107352667 655120092 /nfs/dbraw/zinc/12/00/92/655120092.db2.gz MCYBYOGVGAICNG-ZDUSSCGKSA-N 1 0 375.332 2.670 20 0 GFADRO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)Nc1ccc(Br)nc1 ZINC000160410902 655121458 /nfs/dbraw/zinc/12/14/58/655121458.db2.gz HBYKELACMBJBAA-AWEZNQCLSA-N 1 0 397.317 2.553 20 0 GFADRO OC[C@@H]([NH2+]C[C@@H](O)COc1ccc(F)cc1)c1ccc(Br)cc1 ZINC000272971878 655126934 /nfs/dbraw/zinc/12/69/34/655126934.db2.gz CHFPDFHJDYJINZ-NVXWUHKLSA-N 1 0 384.245 2.651 20 0 GFADRO C[C@]1(CNC(=O)c2cc(F)c(F)cc2I)CCC[NH2+]C1 ZINC000273018225 655127785 /nfs/dbraw/zinc/12/77/85/655127785.db2.gz PZAOFKSEVUXQIH-AWEZNQCLSA-N 1 0 394.203 2.689 20 0 GFADRO C[C@]1(CNC(=O)Cc2csc(NC(=O)c3cccs3)n2)CCC[NH2+]C1 ZINC000273055549 655128859 /nfs/dbraw/zinc/12/88/59/655128859.db2.gz XXFJCPAZVUAOQW-KRWDZBQOSA-N 1 0 378.523 2.505 20 0 GFADRO O=C(Cc1csc(-c2cccc(Br)c2)n1)NC[C@@H]1CC[NH2+]C1 ZINC000273086088 655129805 /nfs/dbraw/zinc/12/98/05/655129805.db2.gz YWWQPGGCMMGGCW-LLVKDONJSA-N 1 0 380.311 2.841 20 0 GFADRO C[N@@H+]1CCC[C@@H](CNC(=O)c2ccn(-c3cccc(Br)c3)n2)C1 ZINC000108344463 655131624 /nfs/dbraw/zinc/13/16/24/655131624.db2.gz AJSMTVDJGVQUQY-ZDUSSCGKSA-N 1 0 377.286 2.706 20 0 GFADRO C[C@@H](C1CC1)N(C(=O)C[NH2+][C@H](CO)c1ccc(Br)cc1)C1CC1 ZINC000273149467 655132417 /nfs/dbraw/zinc/13/24/17/655132417.db2.gz WPVZAJKCYUTDOO-YVEFUNNKSA-N 1 0 381.314 2.862 20 0 GFADRO Cn1ncc(C(=O)Nc2cccc(C[NH+]3CCSCC3)c2)c1Br ZINC000273192162 655134427 /nfs/dbraw/zinc/13/44/27/655134427.db2.gz IFTDPQSWWXKQHR-UHFFFAOYSA-N 1 0 395.326 2.984 20 0 GFADRO COC(=O)C[C@H](NC(=O)CC1CC[NH+](C)CC1)c1ccc(Br)cc1 ZINC000273217194 655135351 /nfs/dbraw/zinc/13/53/51/655135351.db2.gz MINNXFGIPFFZMI-INIZCTEOSA-N 1 0 397.313 2.901 20 0 GFADRO C[NH+]1CCC(CC(=O)NCCOc2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000273240328 655136338 /nfs/dbraw/zinc/13/63/38/655136338.db2.gz QCIVTKBTMJUORP-UHFFFAOYSA-N 1 0 379.810 2.981 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)CC1CC[NH+](C)CC1 ZINC000273267997 655137186 /nfs/dbraw/zinc/13/71/86/655137186.db2.gz UUCHYXLNLDWAAO-UHFFFAOYSA-N 1 0 396.329 2.934 20 0 GFADRO C[C@@H]([NH2+][C@@H](C)c1cnn(C)c1)C(=O)Nc1ccc(I)cc1 ZINC000273273765 655137567 /nfs/dbraw/zinc/13/75/67/655137567.db2.gz GXNAKLJPHGZDQS-WDEREUQCSA-N 1 0 398.248 2.703 20 0 GFADRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)c1cnn(C)c1Br ZINC000273298493 655138680 /nfs/dbraw/zinc/13/86/80/655138680.db2.gz ZEZMRGAGOSRCSI-UHFFFAOYSA-N 1 0 379.302 2.953 20 0 GFADRO COc1cc([C@H](C)[NH2+]C[C@H](C2CC2)N(C)C)ccc1S(=O)(=O)C(F)F ZINC000166277837 655141516 /nfs/dbraw/zinc/14/15/16/655141516.db2.gz VKMKZYUONBKFRY-SMDDNHRTSA-N 1 0 376.469 2.682 20 0 GFADRO COC(=O)c1ccc(C[NH2+]CCc2cn3cc(Br)cc(C)c3n2)[nH]1 ZINC000273460559 655144159 /nfs/dbraw/zinc/14/41/59/655144159.db2.gz HMAASPPTRTUMDK-UHFFFAOYSA-N 1 0 391.269 2.852 20 0 GFADRO C[NH+](C)C(C)(C)CNC(=O)c1ncc(Br)cc1Br ZINC000273548193 655147626 /nfs/dbraw/zinc/14/76/26/655147626.db2.gz KXUZRDKOULNMQZ-UHFFFAOYSA-N 1 0 379.096 2.677 20 0 GFADRO C[C@@H](CC[NH+](C)C)NC(=O)c1ncc(Br)cc1Br ZINC000273578459 655149044 /nfs/dbraw/zinc/14/90/44/655149044.db2.gz HCEZXEVZKUKSQO-QMMMGPOBSA-N 1 0 379.096 2.677 20 0 GFADRO O[C@H](COc1ccc(Cl)cc1Cl)C[NH+]1CCC(C2OCCO2)CC1 ZINC000171236831 655149988 /nfs/dbraw/zinc/14/99/88/655149988.db2.gz CUJQDFYQIQGJBM-AWEZNQCLSA-N 1 0 376.280 2.818 20 0 GFADRO C[C@@H](NC(=O)c1cnn(C)c1Br)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000273604926 655150363 /nfs/dbraw/zinc/15/03/63/655150363.db2.gz KHXJZYFFVPGXCW-HIFRSBDPSA-N 1 0 391.313 2.823 20 0 GFADRO C[C@@H]([NH3+])C1CCN(S(=O)(=O)c2ccc(Br)cc2Cl)CC1 ZINC000110648017 655158043 /nfs/dbraw/zinc/15/80/43/655158043.db2.gz XEFCMFRCTRVVNA-SECBINFHSA-N 1 0 381.723 2.850 20 0 GFADRO COc1ccc(CN2CC[NH+](CC3CCOCC3)CC2)c(Br)c1O ZINC000273805543 655158941 /nfs/dbraw/zinc/15/89/41/655158941.db2.gz XVONVBTXHXEEEV-UHFFFAOYSA-N 1 0 399.329 2.708 20 0 GFADRO CC(C)[C@@H](C(=O)NCCC(=O)N(C)Cc1ccccc1Br)[NH+](C)C ZINC000110976875 655162930 /nfs/dbraw/zinc/16/29/30/655162930.db2.gz FVYMBBAWQMSWJL-KRWDZBQOSA-N 1 0 398.345 2.500 20 0 GFADRO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)c1cc(Br)n(C)n1 ZINC000839233184 661076610 /nfs/dbraw/zinc/07/66/10/661076610.db2.gz SEZOUWMQNOLMSA-BBRMVZONSA-N 1 0 389.297 2.939 20 0 GFADRO CS[C@@H]1CN(C[C@H](O)c2ccccc2Br)C[C@@H]1[NH+]1CCCC1 ZINC000273920200 655164443 /nfs/dbraw/zinc/16/44/43/655164443.db2.gz BGBNTBSQHQGNGZ-YESZJQIVSA-N 1 0 385.371 2.994 20 0 GFADRO CC(C)[NH+]1CCC(NC(=O)Nc2ccncc2I)CC1 ZINC000273941201 655165223 /nfs/dbraw/zinc/16/52/23/655165223.db2.gz XFKSWDUNRYETHJ-UHFFFAOYSA-N 1 0 388.253 2.681 20 0 GFADRO Cc1ccc(S(=O)(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c(Br)c1 ZINC000173271613 655166226 /nfs/dbraw/zinc/16/62/26/655166226.db2.gz WAYDVMFUWULMNA-CHWSQXEVSA-N 1 0 375.332 2.861 20 0 GFADRO C[C@@H]1C[C@@H](N(C)S(=O)(=O)c2cc(Br)c(F)cc2F)CC[N@@H+]1C ZINC000173279051 655167106 /nfs/dbraw/zinc/16/71/06/655167106.db2.gz PIXICEBBDPNWQA-ZJUUUORDSA-N 1 0 397.285 2.831 20 0 GFADRO O=C(NCCc1nc(C(F)(F)F)cs1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000173551940 655174649 /nfs/dbraw/zinc/17/46/49/655174649.db2.gz IDNLBHHBUYLMOU-GFCCVEGCSA-N 1 0 376.448 2.974 20 0 GFADRO O=C(CC[N@@H+]1CCC[C@H]1CN1CCOCC1)Nc1cccc(Br)c1 ZINC000173690027 655176221 /nfs/dbraw/zinc/17/62/21/655176221.db2.gz PYETYAATQVQLTK-KRWDZBQOSA-N 1 0 396.329 2.574 20 0 GFADRO COc1ccc(Br)c(NC(=O)NCCCC[NH+]2CCN(C)CC2)c1 ZINC000111746166 655176942 /nfs/dbraw/zinc/17/69/42/655176942.db2.gz QFAIOWJACVBPEE-UHFFFAOYSA-N 1 0 399.333 2.607 20 0 GFADRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(Cc2csc(CS(C)(=O)=O)n2)C1 ZINC000173748178 655179466 /nfs/dbraw/zinc/17/94/66/655179466.db2.gz DWUIMLHMSJSYLC-JKSUJKDBSA-N 1 0 385.599 2.774 20 0 GFADRO O[C@@H](COc1ccc(Br)cc1)CN1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000173872545 655183412 /nfs/dbraw/zinc/18/34/12/655183412.db2.gz AXLMYTBBNAJMHW-SJLPKXTDSA-N 1 0 397.357 2.997 20 0 GFADRO CSc1ccsc1C(=O)Nc1cccc(S(=O)(=O)NCC[NH+](C)C)c1 ZINC000274296698 655184126 /nfs/dbraw/zinc/18/41/26/655184126.db2.gz RJFLSWLGNWRNSI-UHFFFAOYSA-N 1 0 399.563 2.562 20 0 GFADRO CC[N@H+](C)C[C@H]1CCN(CC(=O)N[C@@H](C)c2ccc(Br)cc2)C1 ZINC000173921121 655185615 /nfs/dbraw/zinc/18/56/15/655185615.db2.gz ZENFCBRHLGVAND-LSDHHAIUSA-N 1 0 382.346 2.900 20 0 GFADRO C[N@H+](C[C@@H](O)COCc1ccco1)C[C@H](O)c1cccc(Br)c1 ZINC000839634279 661097062 /nfs/dbraw/zinc/09/70/62/661097062.db2.gz BLXKPGHBGXXVAZ-WBVHZDCISA-N 1 0 384.270 2.585 20 0 GFADRO Cc1cc(Br)cn2c(C[NH2+]CCCCCS(C)(=O)=O)cnc12 ZINC000274721373 655198519 /nfs/dbraw/zinc/19/85/19/655198519.db2.gz DYGKEJGYZHVDOR-UHFFFAOYSA-N 1 0 388.331 2.710 20 0 GFADRO CC[NH+]1CCN([C@@H](C)CNC(=O)CSc2nc3ccccc3s2)CC1 ZINC000112917608 655199719 /nfs/dbraw/zinc/19/97/19/655199719.db2.gz XDGIEICPQGRXJH-AWEZNQCLSA-N 1 0 378.567 2.531 20 0 GFADRO O=C1CCCN1[C@H]1CCC[N@@H+](C[C@H](O)c2ccccc2Br)CC1 ZINC000839665559 661099137 /nfs/dbraw/zinc/09/91/37/661099137.db2.gz JCOMVUSXQGOYHP-YOEHRIQHSA-N 1 0 381.314 2.959 20 0 GFADRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)NCc1cccc(Br)c1 ZINC000174427218 655202580 /nfs/dbraw/zinc/20/25/80/655202580.db2.gz HXLNQQAFOIYNEK-INIZCTEOSA-N 1 0 384.318 2.701 20 0 GFADRO COC(=O)c1ccc(C[N@H+](C)C[C@H](O)c2ccc(Br)cc2)nc1 ZINC000839681779 661099737 /nfs/dbraw/zinc/09/97/37/661099737.db2.gz VEFGKFXEIXWTSE-INIZCTEOSA-N 1 0 379.254 2.796 20 0 GFADRO C[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CC(=O)N(c3cc(Cl)cc(Cl)c3)C2)C1 ZINC000113454815 655210520 /nfs/dbraw/zinc/21/05/20/655210520.db2.gz YPELXBHIFHWRCY-QWHCGFSZSA-N 1 0 384.307 2.756 20 0 GFADRO COc1ccc(Br)cc1C(=O)CCC(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000113458766 655210915 /nfs/dbraw/zinc/21/09/15/655210915.db2.gz FKUJROFYDUOUQX-CYBMUJFWSA-N 1 0 397.313 2.831 20 0 GFADRO CNC(=O)CC1CC[NH+](CCC(=O)Nc2ccc(Br)cc2)CC1 ZINC000174998089 655211904 /nfs/dbraw/zinc/21/19/04/655211904.db2.gz SPHDBODSWRPWGI-UHFFFAOYSA-N 1 0 382.302 2.626 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@@H](NS(=O)(=O)c2cc(Br)cnc2Cl)C1 ZINC000175085398 655213734 /nfs/dbraw/zinc/21/37/34/655213734.db2.gz SFRLJHPZMFKEOP-GHMZBOCLSA-N 1 0 396.738 2.649 20 0 GFADRO CS[C@H]1CN(C(=O)c2[nH]nc(C3CC3)c2Br)C[C@H]1[NH+]1CCCC1 ZINC000275081988 655215689 /nfs/dbraw/zinc/21/56/89/655215689.db2.gz FPKPKMRPZSANMJ-NEPJUHHUSA-N 1 0 399.358 2.701 20 0 GFADRO CC[C@H]1CN(C(=O)Nc2ccc(Br)cc2F)CC[N@@H+]1C[C@@H](C)O ZINC000175288244 655218055 /nfs/dbraw/zinc/21/80/55/655218055.db2.gz OZXQYPFCDBWEBZ-YPMHNXCESA-N 1 0 388.281 2.897 20 0 GFADRO C[C@@H]1C[N@@H+](CCCNC(=O)Cc2ccc(Br)s2)C[C@H](C)O1 ZINC000114315893 655221265 /nfs/dbraw/zinc/22/12/65/655221265.db2.gz TYFOWUBNZZJFKR-TXEJJXNPSA-N 1 0 375.332 2.669 20 0 GFADRO C[C@@H]1C[NH+](CCCNC(=O)Cc2ccc(Br)s2)C[C@@H](C)O1 ZINC000114315896 655221332 /nfs/dbraw/zinc/22/13/32/655221332.db2.gz TYFOWUBNZZJFKR-VXGBXAGGSA-N 1 0 375.332 2.669 20 0 GFADRO C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)Nc1nc(-c2cccs2)cs1 ZINC000175841487 655228216 /nfs/dbraw/zinc/22/82/16/655228216.db2.gz XCQALWSXCOIEHF-GFCCVEGCSA-N 1 0 378.523 2.801 20 0 GFADRO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)c1cc(I)c[nH]1 ZINC000115318087 655234718 /nfs/dbraw/zinc/23/47/18/655234718.db2.gz AUXVVTPAEMHAQN-ZDUSSCGKSA-N 1 0 399.232 2.779 20 0 GFADRO O[C@@H](C[NH+]1CCC([C@H](O)c2ncc[nH]2)CC1)c1ccc(Br)cc1 ZINC000839577959 661093150 /nfs/dbraw/zinc/09/31/50/661093150.db2.gz OUEFBWCOSWBKFW-HOTGVXAUSA-N 1 0 380.286 2.651 20 0 GFADRO CCn1ccnc1[C@H]1OCC[C@@H]1[NH2+]Cc1cc(Br)c(O)c(OC)c1 ZINC000275467921 655237392 /nfs/dbraw/zinc/23/73/92/655237392.db2.gz HNUIIEPHJUMEIU-BBRMVZONSA-N 1 0 396.285 3.000 20 0 GFADRO C[C@@H]1CCSCC[N@@H+]1CCC(=O)Nc1sc2c(c1C(N)=O)CCCC2 ZINC000839577100 661093273 /nfs/dbraw/zinc/09/32/73/661093273.db2.gz AOGLXGMZTMUEQZ-GFCCVEGCSA-N 1 0 381.567 2.882 20 0 GFADRO COc1cc(Br)c(C[NH2+][C@H]2CCO[C@@H]2c2nccn2C)cc1OC ZINC000275560729 655241890 /nfs/dbraw/zinc/24/18/90/655241890.db2.gz NVGCDWHPINOEIU-BBRMVZONSA-N 1 0 396.285 2.820 20 0 GFADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)Nc2nnc(C(F)F)s2)[C@H](C)C1 ZINC000115763057 655241918 /nfs/dbraw/zinc/24/19/18/655241918.db2.gz NLTHGHVCUCWQDS-MNOVXSKESA-N 1 0 377.461 2.734 20 0 GFADRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)NCCOc1cccc(Br)c1 ZINC000115806653 655242586 /nfs/dbraw/zinc/24/25/86/655242586.db2.gz XOHXEKURCOIWLB-AWEZNQCLSA-N 1 0 384.318 2.811 20 0 GFADRO CCO[C@@H]1C[C@]([NH3+])(C(=O)NC[C@H](C)Oc2ccc(Br)cc2)C1(C)C ZINC000275690727 655247329 /nfs/dbraw/zinc/24/73/29/655247329.db2.gz DKCAVRZLJTULHL-PNPHSEOMSA-N 1 0 399.329 2.865 20 0 GFADRO CC1CC[NH+](C[C@H](O)CNC(=O)c2cc3cc(Br)ccc3[nH]2)CC1 ZINC000116449348 655247890 /nfs/dbraw/zinc/24/78/90/655247890.db2.gz GDHHQFLEMXSVFZ-OAHLLOKOSA-N 1 0 394.313 2.753 20 0 GFADRO Cc1cc(NC(=O)C(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)ccc1Br ZINC000275752718 655249520 /nfs/dbraw/zinc/24/95/20/655249520.db2.gz BMSQIDHPRNGXHZ-ZDUSSCGKSA-N 1 0 396.329 2.885 20 0 GFADRO CSc1nc2ccc(NC(=O)C(=O)NCC3([NH+](C)C)CCC3)cc2s1 ZINC000275845896 655253043 /nfs/dbraw/zinc/25/30/43/655253043.db2.gz NEJGCXOHCYZBNK-UHFFFAOYSA-N 1 0 378.523 2.557 20 0 GFADRO COc1ccc2c(c1)[C@H]([NH2+]C[C@H](O)CS(=O)(=O)c1cccs1)CCS2 ZINC000276112938 655262775 /nfs/dbraw/zinc/26/27/75/655262775.db2.gz IDOXYBWKAYATIZ-SWLSCSKDSA-N 1 0 399.559 2.718 20 0 GFADRO CCOc1cc(C[N@H+](C)CCOCCOCCOC)cc(Cl)c1OC ZINC000276157453 655265197 /nfs/dbraw/zinc/26/51/97/655265197.db2.gz HFSBHVGGECUZRB-UHFFFAOYSA-N 1 0 375.893 2.859 20 0 GFADRO C[N@@H+]1CCC[C@H](CNC(=O)c2nn(-c3ccc(F)cc3)cc2Br)C1 ZINC000117796661 655267975 /nfs/dbraw/zinc/26/79/75/655267975.db2.gz AQLVYWWSCZCMTD-GFCCVEGCSA-N 1 0 395.276 2.846 20 0 GFADRO CN(CC[NH+]1CCCC1)C(=O)c1nn(-c2ccc(F)cc2)cc1Br ZINC000117788330 655268006 /nfs/dbraw/zinc/26/80/06/655268006.db2.gz TVZAPNUKYIIQNX-UHFFFAOYSA-N 1 0 395.276 2.942 20 0 GFADRO COCCNS(=O)(=O)c1cccc(C[NH2+]Cc2ccc(Cl)c(F)c2)c1 ZINC000117950975 655270702 /nfs/dbraw/zinc/27/07/02/655270702.db2.gz YQXYGQWZNVNGJZ-UHFFFAOYSA-N 1 0 386.876 2.694 20 0 GFADRO CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)Nc1ccc(Br)cc1C ZINC000118126588 655272121 /nfs/dbraw/zinc/27/21/21/655272121.db2.gz QMUFSBRGZAGVCJ-AWEZNQCLSA-N 1 0 382.302 2.687 20 0 GFADRO C[C@@H](CNC(=O)C(=O)Nc1ccc(Cl)cc1C(F)(F)F)[N@H+](C)C1CC1 ZINC000118129405 655272379 /nfs/dbraw/zinc/27/23/79/655272379.db2.gz VORXJSHUIMQTNR-VIFPVBQESA-N 1 0 377.794 2.896 20 0 GFADRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)Nc1cccc(Br)c1C ZINC000118126886 655272406 /nfs/dbraw/zinc/27/24/06/655272406.db2.gz WWVDVYLSZVDZTO-CYBMUJFWSA-N 1 0 382.302 2.687 20 0 GFADRO C[NH+](C)CCc1ccc(CNC(=O)c2c[nH]c(=O)c(Br)c2)cc1 ZINC000276471065 655276389 /nfs/dbraw/zinc/27/63/89/655276389.db2.gz XMGCMIAIMHIIHM-UHFFFAOYSA-N 1 0 378.270 2.584 20 0 GFADRO CN(C[C@@H]1CCC[N@@H+]1C)S(=O)(=O)c1ccc(Br)cc1Cl ZINC000118670204 655280524 /nfs/dbraw/zinc/28/05/24/655280524.db2.gz CWHZTYHKDDMVGZ-NSHDSACASA-N 1 0 381.723 2.817 20 0 GFADRO CCN1CC[NH+](C[C@H](C)CNC(=O)Nc2ccccc2Br)CC1 ZINC000118786577 655282314 /nfs/dbraw/zinc/28/23/14/655282314.db2.gz MEFSRBKMDZDAHX-CQSZACIVSA-N 1 0 383.334 2.844 20 0 GFADRO COc1cc(OCC[NH+](C)C)ccc1NC(=O)Cc1sc(=S)[nH]c1C ZINC000839824046 661110798 /nfs/dbraw/zinc/11/07/98/661110798.db2.gz BRZFQALUJZQDBN-UHFFFAOYSA-N 1 0 381.523 2.870 20 0 GFADRO O=S(=O)(CC[NH2+][C@H]1CSCCc2ccccc21)NCc1ccccc1 ZINC000177772275 655288414 /nfs/dbraw/zinc/28/84/14/655288414.db2.gz GIFVYZXZMJPJLF-IBGZPJMESA-N 1 0 376.547 2.726 20 0 GFADRO CC[NH+]1CCC(NC(=O)C(=O)Nc2cccc(Cl)c2Br)CC1 ZINC000276840347 655289752 /nfs/dbraw/zinc/28/97/52/655289752.db2.gz SIEBSAFIGXWPCF-UHFFFAOYSA-N 1 0 388.693 2.642 20 0 GFADRO CC(C)(C)S(=O)(=O)N1CCC([NH2+]Cc2ccc(OC(F)F)cc2)CC1 ZINC000276886617 655291952 /nfs/dbraw/zinc/29/19/52/655291952.db2.gz FKFXQBUUAWHFDS-UHFFFAOYSA-N 1 0 376.469 2.970 20 0 GFADRO CN1C(=O)C[C@H]([NH2+][C@@H]2CCC[C@H](S(C)(=O)=O)C2)[C@H]1c1ccc(Cl)cc1 ZINC000276963296 655295464 /nfs/dbraw/zinc/29/54/64/655295464.db2.gz QHOQMNMLHLWDDZ-MUQADHOPSA-N 1 0 384.929 2.557 20 0 GFADRO CS[C@H](CO)[C@H](C)NC(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000119269179 655296239 /nfs/dbraw/zinc/29/62/39/655296239.db2.gz HVQHYSDQNYORKE-RRQGHBQHSA-N 1 0 385.961 2.889 20 0 GFADRO CC(C)(C)n1cc(C[NH2+]C[C@H](CO)Cc2ccccc2Br)nn1 ZINC000277085052 655302447 /nfs/dbraw/zinc/30/24/47/655302447.db2.gz UQPXTZPTARVVOL-CYBMUJFWSA-N 1 0 381.318 2.736 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000119450873 655304145 /nfs/dbraw/zinc/30/41/45/655304145.db2.gz MEFIBLYKSDOQRB-DZGCQCFKSA-N 1 0 396.329 2.803 20 0 GFADRO [NH3+][C@@H]1CC[C@H](C(=O)N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)C1 ZINC000178657283 655307199 /nfs/dbraw/zinc/30/71/99/655307199.db2.gz CEBVNFMFJLEDQQ-CMPLNLGQSA-N 1 0 376.810 2.530 20 0 GFADRO O=C(NCCC[NH+]1CCCC1)C(=O)Nc1ccc(Br)c(Cl)c1 ZINC000178763986 655309631 /nfs/dbraw/zinc/30/96/31/655309631.db2.gz PMXABNLDEMRPDZ-UHFFFAOYSA-N 1 0 388.693 2.643 20 0 GFADRO C[C@H]([NH3+])C1CCN(C(=O)c2cc(=O)[nH]c3ccc(Br)cc32)CC1 ZINC000178837704 655310060 /nfs/dbraw/zinc/31/00/60/655310060.db2.gz SGROTXWBCMQKIM-JTQLQIEISA-N 1 0 378.270 2.902 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2cc(C)ccc2Br)[C@H](C)C1 ZINC000119727689 655312748 /nfs/dbraw/zinc/31/27/48/655312748.db2.gz NYLOGPDYBYNALB-CJNGLKHVSA-N 1 0 396.329 2.885 20 0 GFADRO C[C@@H]([NH2+]C1CCN(S(=O)(=O)C(F)(F)F)CC1)c1nc2c(s1)CCCC2 ZINC000179447489 655313631 /nfs/dbraw/zinc/31/36/31/655313631.db2.gz QDSOKLUTOQFXCL-SNVBAGLBSA-N 1 0 397.488 2.987 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2cccc(C)c2Br)[C@H](C)C1 ZINC000119773308 655314546 /nfs/dbraw/zinc/31/45/46/655314546.db2.gz JCRFGLKZFKKLCG-HIFRSBDPSA-N 1 0 396.329 2.885 20 0 GFADRO Cc1c(Br)cc(C(=O)N2CCC([NH+]3CCCCC3)CC2)c(=O)n1C ZINC000277425614 655318699 /nfs/dbraw/zinc/31/86/99/655318699.db2.gz MAEILABKANGTQP-UHFFFAOYSA-N 1 0 396.329 2.547 20 0 GFADRO O=S1(=O)CC[C@H]([NH2+]Cc2ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc2)C1 ZINC000119887542 655319662 /nfs/dbraw/zinc/31/96/62/655319662.db2.gz YPWOCEUJUMNEQD-CMPLNLGQSA-N 1 0 391.333 2.835 20 0 GFADRO Cc1cc(C(=O)N(CC[NH+](C)C)Cc2ccc(Br)cc2)ncn1 ZINC000119911956 655320884 /nfs/dbraw/zinc/32/08/84/655320884.db2.gz JDJPYLHZJNKDFU-UHFFFAOYSA-N 1 0 377.286 2.752 20 0 GFADRO C[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)Nc1cc(Br)ccc1F ZINC000120052110 655326063 /nfs/dbraw/zinc/32/60/63/655326063.db2.gz JBMSDJJQXVXKEN-NSHDSACASA-N 1 0 386.265 2.517 20 0 GFADRO O=C1C[C@@]2(CC[N@@H+](Cc3ccnc(-c4ccc(Br)cc4)n3)C2)CN1 ZINC000278905407 655326649 /nfs/dbraw/zinc/32/66/49/655326649.db2.gz PVIQATMYXYCSGL-SFHVURJKSA-N 1 0 387.281 2.618 20 0 GFADRO CCc1nc2c(s1)[C@@H]([NH2+]CC1CCN(S(=O)(=O)C(F)F)CC1)CCC2 ZINC000180802613 655330220 /nfs/dbraw/zinc/33/02/20/655330220.db2.gz UYLMCOMUBTWDKL-LBPRGKRZSA-N 1 0 393.525 2.937 20 0 GFADRO C[C@@H]([NH2+]CC1CCN(S(=O)(=O)C(F)F)CC1)c1nc2c(s1)CCCC2 ZINC000180794067 655330225 /nfs/dbraw/zinc/33/02/25/655330225.db2.gz BBBLTEJQUZRWIS-LLVKDONJSA-N 1 0 393.525 2.937 20 0 GFADRO CC[C@@H]([NH2+][C@H](C)C(=O)NC(C)(C)C)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000280765120 655330827 /nfs/dbraw/zinc/33/08/27/655330827.db2.gz FSXUFZAOBRBDDU-BXUZGUMPSA-N 1 0 389.949 2.592 20 0 GFADRO CNC(=O)C[C@H](C)[NH2+][C@H](CO)c1ccc(Br)cc1C(F)(F)F ZINC000280981262 655331490 /nfs/dbraw/zinc/33/14/90/655331490.db2.gz MAWGQWUUIGGQQV-QPUJVOFHSA-N 1 0 383.208 2.616 20 0 GFADRO CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+]CC2([S@](C)=O)CCC2)cc1 ZINC000281137240 655332761 /nfs/dbraw/zinc/33/27/61/655332761.db2.gz UFNDEYZFLKBZRA-OWJWWREXSA-N 1 0 386.583 2.669 20 0 GFADRO C[N@H+](CCCO)C1CCN(C(=O)Nc2cc(Br)ccc2F)CC1 ZINC000120553503 655338874 /nfs/dbraw/zinc/33/88/74/655338874.db2.gz VTUCHLCUYCOIMI-UHFFFAOYSA-N 1 0 388.281 2.899 20 0 GFADRO S=c1n2cc(Br)ccc2nn1CN1CC[C@@H]([NH+]2CCCC2)C1 ZINC000839987556 661122114 /nfs/dbraw/zinc/12/21/14/661122114.db2.gz QWNCHTYSUKQFHF-CYBMUJFWSA-N 1 0 382.331 2.755 20 0 GFADRO Cc1ccc(NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c(Br)c1 ZINC000120580964 655339707 /nfs/dbraw/zinc/33/97/07/655339707.db2.gz AWCYMGRFKCWTOR-CHWSQXEVSA-N 1 0 382.302 2.637 20 0 GFADRO C[C@H](Cn1cc(Br)cn1)[NH2+]C[C@H](c1ccccc1)N1CCOCC1 ZINC000120642835 655341240 /nfs/dbraw/zinc/34/12/40/655341240.db2.gz XTUZPAWEYVGJHS-CRAIPNDOSA-N 1 0 393.329 2.697 20 0 GFADRO CCC[N@H+](C)[C@@H](CNC(=O)CSc1nncn1C)c1ccc(Cl)cc1 ZINC000286104494 655343673 /nfs/dbraw/zinc/34/36/73/655343673.db2.gz WZKJBKVRALGUHA-HNNXBMFYSA-N 1 0 381.933 2.760 20 0 GFADRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)NCc1ccc(O)c(Br)c1 ZINC000289237063 655344734 /nfs/dbraw/zinc/34/47/34/655344734.db2.gz OZXGDDSUJVZMHX-TZMCWYRMSA-N 1 0 382.302 2.923 20 0 GFADRO C#CC[NH+]1CCC(C(=O)Nc2cc(OC)c(Br)c(OC)c2)CC1 ZINC000182513653 655344872 /nfs/dbraw/zinc/34/48/72/655344872.db2.gz WPNBHFVRKQBZEF-UHFFFAOYSA-N 1 0 381.270 2.750 20 0 GFADRO CC[NH+]1CCN([C@H]2CCN(Cc3ccc(OC)cc3Br)C2)CC1 ZINC000289246998 655344920 /nfs/dbraw/zinc/34/49/20/655344920.db2.gz CDJOPASMPDYDJG-INIZCTEOSA-N 1 0 382.346 2.670 20 0 GFADRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CCN(C)c3cc[nH+]cc32)c1 ZINC000182539665 655345241 /nfs/dbraw/zinc/34/52/41/655345241.db2.gz FLCZUEKQVGABCK-UHFFFAOYSA-N 1 0 382.829 2.597 20 0 GFADRO CCOC(CC[NH2+]Cc1cn(-c2ccccc2Br)nn1)OCC ZINC000289441483 655349375 /nfs/dbraw/zinc/34/93/75/655349375.db2.gz FYCHYVUXEYCXJX-UHFFFAOYSA-N 1 0 383.290 2.909 20 0 GFADRO C[C@H]1C[C@@H](C(=O)N[C@H]2CCN(c3cccc(Br)c3)C2)CC[N@@H+]1C ZINC000290555836 655349846 /nfs/dbraw/zinc/34/98/46/655349846.db2.gz XDSBBRVXTAYWTI-DZKIICNBSA-N 1 0 380.330 2.874 20 0 GFADRO OCC[N@H+](CCOCC(F)(F)F)C[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000291078779 655350559 /nfs/dbraw/zinc/35/05/59/655350559.db2.gz GIGVPSYCXURKBQ-ZDUSSCGKSA-N 1 0 375.309 2.612 20 0 GFADRO COc1cc(/C=C/C(=O)N2CC[NH+](CC3CC3)CC2)cc(Br)c1O ZINC000183440617 655351433 /nfs/dbraw/zinc/35/14/33/655351433.db2.gz KBKPMXBIQUSMOC-SNAWJCMRSA-N 1 0 395.297 2.731 20 0 GFADRO CC[NH+]1CCN(CCCNC(=O)[C@@H](C)c2cccc(Br)c2)CC1 ZINC000292533130 655352319 /nfs/dbraw/zinc/35/23/19/655352319.db2.gz HVGJIVKWKLSCLM-HNNXBMFYSA-N 1 0 382.346 2.696 20 0 GFADRO O=C(c1ccc(I)cc1Cl)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000292847278 655355280 /nfs/dbraw/zinc/35/52/80/655355280.db2.gz CSABHBGGZIEDNP-ZANVPECISA-N 1 0 390.652 2.769 20 0 GFADRO Cn1cc(Br)c(C(=O)Nc2ccccc2NC2CC[NH+](C)CC2)n1 ZINC000293045461 655358684 /nfs/dbraw/zinc/35/86/84/655358684.db2.gz HJVCDZHWWMCMAU-UHFFFAOYSA-N 1 0 392.301 2.941 20 0 GFADRO COCCn1nnc2c1CC[N@H+](C[C@@H](C)c1cccc(Br)c1)C2 ZINC000293780153 655361916 /nfs/dbraw/zinc/36/19/16/655361916.db2.gz ZFGLFTUBNWPDCY-CYBMUJFWSA-N 1 0 379.302 2.849 20 0 GFADRO Cc1ccc(S(=O)(=O)NCCC[N@@H+]2CCc3ccccc3C2)c(Cl)n1 ZINC000185470991 655364593 /nfs/dbraw/zinc/36/45/93/655364593.db2.gz HPTCTNHPWGFETC-UHFFFAOYSA-N 1 0 379.913 2.770 20 0 GFADRO O=C(CCC[N@@H+]1CC[C@@H]2COC(=O)N[C@H]2C1)c1ccc(Br)cc1 ZINC000295434275 655366101 /nfs/dbraw/zinc/36/61/01/655366101.db2.gz VBVMYHLUDAGVMT-HIFRSBDPSA-N 1 0 381.270 2.842 20 0 GFADRO C[C@H]([NH2+][C@H]1CCN(CC(F)(F)F)C1=O)c1cc(Br)ccc1O ZINC000186021351 655367266 /nfs/dbraw/zinc/36/72/66/655367266.db2.gz SOPBOEQFEWLSFR-KWQFWETISA-N 1 0 381.192 2.969 20 0 GFADRO CC[C@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000296297827 655368416 /nfs/dbraw/zinc/36/84/16/655368416.db2.gz FTYGJWWDJPZPRY-BTFYYFJDSA-N 1 0 385.961 2.914 20 0 GFADRO COCCNC(=O)[C@H](CC(C)C)[NH2+][C@H](C)c1cc(Br)ccc1O ZINC000186356069 655368933 /nfs/dbraw/zinc/36/89/33/655368933.db2.gz HJWZCBYGZHRWQF-DOMZBBRYSA-N 1 0 387.318 2.983 20 0 GFADRO C[C@H]1CCN(C(=O)c2ncc(Br)cc2Br)[C@@H](C)[C@H]1[NH3+] ZINC000297321115 655369977 /nfs/dbraw/zinc/36/99/77/655369977.db2.gz GUGUYHGLDVOGIB-LAEOZQHASA-N 1 0 391.107 2.804 20 0 GFADRO O=C1[C@H](NC2CC[NH+](C3CC3)CC2)CCN1c1cccc(Br)c1 ZINC000298117696 655372390 /nfs/dbraw/zinc/37/23/90/655372390.db2.gz OVGDMXJBNZNXNV-QGZVFWFLSA-N 1 0 378.314 2.771 20 0 GFADRO C[N@@H+]1CCC[C@]2(CCN(Cn3nnn(-c4ccc(Cl)cc4)c3=S)C2)C1 ZINC000840085829 661130640 /nfs/dbraw/zinc/13/06/40/661130640.db2.gz HXCCDVUJQBFBMH-KRWDZBQOSA-N 1 0 378.933 2.827 20 0 GFADRO CC(C)(C[NH+]1CCCC1)NS(=O)(=O)c1cc(Br)cnc1Cl ZINC000308682195 655378921 /nfs/dbraw/zinc/37/89/21/655378921.db2.gz NRTDMBHICZZMMV-UHFFFAOYSA-N 1 0 396.738 2.650 20 0 GFADRO O=C(C[NH2+]Cc1cccc(I)c1)NCc1ccccc1 ZINC000310000520 655379033 /nfs/dbraw/zinc/37/90/33/655379033.db2.gz PSPIRQFQDZAWMF-UHFFFAOYSA-N 1 0 380.229 2.697 20 0 GFADRO CN(CC1([NH+](C)C)CCC1)c1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] ZINC000188518324 655380332 /nfs/dbraw/zinc/38/03/32/655380332.db2.gz JZOSAXVIYCZSKO-UHFFFAOYSA-N 1 0 377.413 2.512 20 0 GFADRO COC(=O)c1c2cnn(CN3C[C@@H](C)[N@@H+](C)[C@@H](C)C3)c2ccc1Br ZINC000840089261 661130909 /nfs/dbraw/zinc/13/09/09/661130909.db2.gz BWCXUPBDVAWBRQ-TXEJJXNPSA-N 1 0 395.301 2.567 20 0 GFADRO CCC(CC)[C@@H](CNS(=O)(=O)c1c(Cl)nc2sccn21)[NH+](C)C ZINC000320316153 655382074 /nfs/dbraw/zinc/38/20/74/655382074.db2.gz DMDGZLGVCDSSQE-LLVKDONJSA-N 1 0 378.951 2.694 20 0 GFADRO O=c1c(Br)c(NCC[NH+]2CCCCCC2)cnn1CC(F)(F)F ZINC000322571755 655383280 /nfs/dbraw/zinc/38/32/80/655383280.db2.gz HBGYWPMIPJAIAN-UHFFFAOYSA-N 1 0 397.239 2.856 20 0 GFADRO O=C1N[C@H](c2ccc(Br)cc2)C(=O)N1CCC[NH+]1CCCCC1 ZINC000349190326 655388478 /nfs/dbraw/zinc/38/84/78/655388478.db2.gz OETMJOZNVWRXPR-OAHLLOKOSA-N 1 0 380.286 2.918 20 0 GFADRO Cc1c(Br)cccc1CC(=O)NC[C@H]1CCC[C@@H]1[NH+]1CCOCC1 ZINC000365160262 655391923 /nfs/dbraw/zinc/39/19/23/655391923.db2.gz XKKIMUAQUIXGGX-AEFFLSMTSA-N 1 0 395.341 2.917 20 0 GFADRO CN(C)C(=O)[C@H]1CC[C@H](C[NH2+]C2CC(c3cccc(Br)c3)C2)O1 ZINC000365314712 655393173 /nfs/dbraw/zinc/39/31/73/655393173.db2.gz CNIMGVKGKFVSQT-OKEQZYBDSA-N 1 0 381.314 2.921 20 0 GFADRO CCOC(=O)C1(C[NH2+][C@H](C(N)=O)c2ccc(Br)cc2)CCCC1 ZINC000190831940 655395237 /nfs/dbraw/zinc/39/52/37/655395237.db2.gz DKEVFUPYXXNZRS-AWEZNQCLSA-N 1 0 383.286 2.689 20 0 GFADRO CCOC(=O)C1(C[NH2+][C@@H](C(N)=O)c2ccc(Br)cc2)CCCC1 ZINC000190831956 655395281 /nfs/dbraw/zinc/39/52/81/655395281.db2.gz DKEVFUPYXXNZRS-CQSZACIVSA-N 1 0 383.286 2.689 20 0 GFADRO C[N@@H+]1CCC[C@@H](CNC(=O)c2nc(Br)ccc2Br)C1 ZINC000191483667 655398951 /nfs/dbraw/zinc/39/89/51/655398951.db2.gz VUGMVJLXXLHSAS-VIFPVBQESA-N 1 0 391.107 2.678 20 0 GFADRO O=C(CSc1nc2ccccc2s1)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000366192270 655399523 /nfs/dbraw/zinc/39/95/23/655399523.db2.gz NEPRZCXPEXKWQJ-AWEZNQCLSA-N 1 0 377.535 2.758 20 0 GFADRO CCCOc1c(Br)cc(C(=O)N2CC[C@H]3C[NH2+]C[C@H]32)cc1OC ZINC000366592516 655400265 /nfs/dbraw/zinc/40/02/65/655400265.db2.gz JDPDMSJQEQFBSE-SMDDNHRTSA-N 1 0 383.286 2.680 20 0 GFADRO Cc1nc(CN2CCC[C@@H]([NH2+][C@H](C)c3ncc(Br)s3)C2)no1 ZINC000369519555 655401482 /nfs/dbraw/zinc/40/14/82/655401482.db2.gz MPXRPXRKXAOJKF-MWLCHTKSSA-N 1 0 386.319 2.912 20 0 GFADRO O=C(NC1CC[NH+](CC2CC2)CC1)c1cccc([N+](=O)[O-])c1Br ZINC000192336183 655404632 /nfs/dbraw/zinc/40/46/32/655404632.db2.gz ULYYUZFJDKKYJJ-UHFFFAOYSA-N 1 0 382.258 2.962 20 0 GFADRO O=S(=O)(c1cc(Cl)c(Br)cc1F)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000420476873 655407533 /nfs/dbraw/zinc/40/75/33/655407533.db2.gz RKMDJOPOAASRJL-ZDUSSCGKSA-N 1 0 397.697 2.758 20 0 GFADRO COCC[C@@H](Cc1cccc(Br)c1)C(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000424026588 655407890 /nfs/dbraw/zinc/40/78/90/655407890.db2.gz KVSAREZEONZPCJ-QFBILLFUSA-N 1 0 395.341 2.999 20 0 GFADRO C[N@H+](CCN1CCOC(C)(C)C1)C[C@@H](O)COc1cc(Cl)ccc1Cl ZINC000434701448 655408968 /nfs/dbraw/zinc/40/89/68/655408968.db2.gz FDHCGEPEGUNDCV-OAHLLOKOSA-N 1 0 391.339 2.776 20 0 GFADRO COc1ccc(Br)cc1C[C@@H](CO)C[NH2+][C@@H]1CCCc2n[nH]cc21 ZINC000453386417 655411612 /nfs/dbraw/zinc/41/16/12/655411612.db2.gz VBJKHVXWLCNSPY-MLGOLLRUSA-N 1 0 394.313 2.999 20 0 GFADRO COc1ccc(Br)c(C(=O)NCCC[NH2+]C[C@@H]2CCC=CO2)c1 ZINC000194378527 655415388 /nfs/dbraw/zinc/41/53/88/655415388.db2.gz ZXWSTDQVSHXQJO-AWEZNQCLSA-N 1 0 383.286 2.860 20 0 GFADRO CCOc1ccc(S(=O)(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)cc1Br ZINC000517935181 655419420 /nfs/dbraw/zinc/41/94/20/655419420.db2.gz MZSCWDXRRCBRGN-NEPJUHHUSA-N 1 0 391.331 2.644 20 0 GFADRO CC[NH+]1CCC(N(C)C(=O)c2ccc(I)c(F)c2)CC1 ZINC000517938884 655419513 /nfs/dbraw/zinc/41/95/13/655419513.db2.gz DASZAWRFVPLVAM-UHFFFAOYSA-N 1 0 390.240 2.987 20 0 GFADRO CCOC[C@H]1C(=O)N([C@@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)C(=O)N1C ZINC000530209074 655420206 /nfs/dbraw/zinc/42/02/06/655420206.db2.gz CPGSJXGOTUESJN-GJZGRUSLSA-N 1 0 388.295 2.895 20 0 GFADRO C[C@H](CNC(=O)c1cnc(Sc2nccn2C)c(Cl)c1)[NH+]1CCCC1 ZINC000560656604 655423604 /nfs/dbraw/zinc/42/36/04/655423604.db2.gz BBTFXZKXNAXLLJ-GFCCVEGCSA-N 1 0 379.917 2.834 20 0 GFADRO [NH3+]C[C@H]1CCCN(C(=O)NCCc2c[nH]c3cccc(Br)c23)C1 ZINC000566058320 655424395 /nfs/dbraw/zinc/42/43/95/655424395.db2.gz VZTNNNJCNAIWIR-GFCCVEGCSA-N 1 0 379.302 2.853 20 0 GFADRO CC(=O)N[C@H](CC(=O)N[C@](C)(C[NH3+])CC(C)C)c1ccc(Br)cc1 ZINC000236671732 655424754 /nfs/dbraw/zinc/42/47/54/655424754.db2.gz PPJJMTCZGKVRSS-AEFFLSMTSA-N 1 0 398.345 2.896 20 0 GFADRO CCCC[C@H](C[NH3+])NS(=O)(=O)c1ccc(OCC)c(Br)c1 ZINC000236748655 655424916 /nfs/dbraw/zinc/42/49/16/655424916.db2.gz DZWMMBZIWLYLHS-LLVKDONJSA-N 1 0 379.320 2.644 20 0 GFADRO CCN(CC)S(=O)(=O)c1cc(C(=O)NC(CC)(CC)C[NH3+])ccc1Cl ZINC000236957744 655425271 /nfs/dbraw/zinc/42/52/71/655425271.db2.gz KPRLTFGOJNMZME-UHFFFAOYSA-N 1 0 389.949 2.618 20 0 GFADRO CCS(=O)(=O)NCC[NH2+]Cc1ccc(-c2cccc(Br)c2)o1 ZINC000237054297 655425506 /nfs/dbraw/zinc/42/55/06/655425506.db2.gz XCBJPHUGFSSKLX-UHFFFAOYSA-N 1 0 387.299 2.738 20 0 GFADRO [NH3+]C1CCC(NC(=O)c2nn(-c3ccc(F)cc3)cc2Br)CC1 ZINC000237821489 655426509 /nfs/dbraw/zinc/42/65/09/655426509.db2.gz ANUGXUGQVJAYBG-UHFFFAOYSA-N 1 0 381.249 2.774 20 0 GFADRO [NH3+]C[C@@H](NC(=O)c1cc(I)cc(C(F)(F)F)c1)C1CC1 ZINC000238089610 655427037 /nfs/dbraw/zinc/42/70/37/655427037.db2.gz SZCIQHXKOQWULF-LLVKDONJSA-N 1 0 398.166 2.777 20 0 GFADRO C[C@@]([NH3+])(C(=O)NCCCOCC(F)(F)F)c1ccc(Br)cc1 ZINC000574273752 655427752 /nfs/dbraw/zinc/42/77/52/655427752.db2.gz QSZJJSVTESBIOM-ZDUSSCGKSA-N 1 0 383.208 2.708 20 0 GFADRO CN(C(=O)[C@H]1CC1(Cl)Cl)[C@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000245716910 655428319 /nfs/dbraw/zinc/42/83/19/655428319.db2.gz OTDIBGHBRUBQHJ-OAGGEKHMSA-N 1 0 376.372 2.976 20 0 GFADRO O[C@@H](COc1ccc(Cl)cc1Cl)C[N@@H+]1CCC[C@@H](C2OCCO2)C1 ZINC000246101254 655429028 /nfs/dbraw/zinc/42/90/28/655429028.db2.gz JQYHTKXBGTYIIU-TZMCWYRMSA-N 1 0 376.280 2.818 20 0 GFADRO O=c1ccn(C[N@@H+]2CCO[C@H]([C@H]3CCCO3)C2)c2c(Br)cccc12 ZINC000246212509 655429546 /nfs/dbraw/zinc/42/95/46/655429546.db2.gz KLOLSLANQIXTNE-SJORKVTESA-N 1 0 393.281 2.601 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCC(=O)N(C)[C@H]1c1ccnn1C)c1cncc(Br)c1 ZINC000574771761 655430329 /nfs/dbraw/zinc/43/03/29/655430329.db2.gz YJNDJPYGTUEEJH-FABXCBLPSA-N 1 0 392.301 2.590 20 0 GFADRO O=C(N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO)c1cc(Cl)c(Cl)[nH]1 ZINC000246702103 655430417 /nfs/dbraw/zinc/43/04/17/655430417.db2.gz NJFPUQVEXUUBOU-CJNGLKHVSA-N 1 0 382.291 2.934 20 0 GFADRO CC(C)CN(Cc1ccccc1Br)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000574787230 655430621 /nfs/dbraw/zinc/43/06/21/655430621.db2.gz RKBFJSLUTQHDQN-INIZCTEOSA-N 1 0 398.345 2.995 20 0 GFADRO CC(C)[N@@H+]1CC[C@H](CNC(=O)[C@](N)(c2cccc(Cl)c2)C(F)(F)F)C1 ZINC000574791507 655430783 /nfs/dbraw/zinc/43/07/83/655430783.db2.gz MZFCVOBRDINXTG-MLGOLLRUSA-N 1 0 377.838 2.903 20 0 GFADRO CC(=O)N(c1nn(CN2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c(=S)s1)C1CC1 ZINC000246985462 655430906 /nfs/dbraw/zinc/43/09/06/655430906.db2.gz JZGZSEDPMHYGBH-DZGCQCFKSA-N 1 0 381.571 2.563 20 0 GFADRO C[C@@H](CNC(=O)c1ccn(-c2ccc(Br)cc2)n1)[NH+]1CCCC1 ZINC000574828008 655431635 /nfs/dbraw/zinc/43/16/35/655431635.db2.gz YLWJICRRYDHLGD-ZDUSSCGKSA-N 1 0 377.286 2.849 20 0 GFADRO COCCNc1nn(CN2CC[N@H+](C)C[C@@H]2c2ccccc2)c(=S)s1 ZINC000249701903 655434579 /nfs/dbraw/zinc/43/45/79/655434579.db2.gz IKRCCKSZHYQAOJ-OAHLLOKOSA-N 1 0 379.555 2.679 20 0 GFADRO Cc1cc(Br)cc([C@H](C)[NH2+]C[C@H]2CC[C@@H](C(=O)N(C)C)O2)c1O ZINC000250134610 655434811 /nfs/dbraw/zinc/43/48/11/655434811.db2.gz XUMICNMEHQIKLG-LNSITVRQSA-N 1 0 385.302 2.750 20 0 GFADRO CCC[C@H]1C[NH2+]CCN1Cc1nc(Cc2cccc(Br)c2)no1 ZINC000575181581 655436943 /nfs/dbraw/zinc/43/69/43/655436943.db2.gz NYBBHKDOMVFECM-HNNXBMFYSA-N 1 0 379.302 2.997 20 0 GFADRO O=C(C[NH2+]C[C@@H]1CCCO1)N1CCC(c2ccc(Br)cc2)CC1 ZINC000575861100 655438570 /nfs/dbraw/zinc/43/85/70/655438570.db2.gz BQJRPMCJKABEFL-KRWDZBQOSA-N 1 0 381.314 2.924 20 0 GFADRO COC(=O)c1cc(C[NH2+]C[C@@H](O)COc2cccc(Br)c2)oc1C ZINC000575916396 655439834 /nfs/dbraw/zinc/43/98/34/655439834.db2.gz GILDZZVPXFEODS-CYBMUJFWSA-N 1 0 398.253 2.667 20 0 GFADRO CC(C)[C@@H](C(=O)NC[C@@H]1CCN(c2ccc(Br)cc2)C1)[NH+](C)C ZINC000575975828 655441204 /nfs/dbraw/zinc/44/12/04/655441204.db2.gz FAESZFBCXLAQIM-YOEHRIQHSA-N 1 0 382.346 2.978 20 0 GFADRO O=C(NCC1C[NH2+]C1)c1cc(Br)ccc1OCc1ccccc1 ZINC000261932406 655442982 /nfs/dbraw/zinc/44/29/82/655442982.db2.gz DHULSDDEAUHPOH-UHFFFAOYSA-N 1 0 375.266 2.977 20 0 GFADRO O=C(NC[C@@H]1CCCN(Cc2c(F)cccc2Br)C1)[C@@H]1CCC[NH2+]1 ZINC000261931938 655443005 /nfs/dbraw/zinc/44/30/05/655443005.db2.gz LQAMIZNTLOSLKX-GUYCJALGSA-N 1 0 398.320 2.668 20 0 GFADRO CC(C)[N@@H+]1CC[C@@H](N(C)CN2C(=O)N[C@](C)(c3ccc(Cl)s3)C2=O)C1 ZINC000840153406 661141459 /nfs/dbraw/zinc/14/14/59/661141459.db2.gz QOVNYNSNFVUOCY-SJKOYZFVSA-N 1 0 384.933 2.541 20 0 GFADRO O=C(NCC[C@@H]1CCC[NH2+]C1)N[C@@H]1COc2cc(F)c(Br)cc21 ZINC000576373574 655446178 /nfs/dbraw/zinc/44/61/78/655446178.db2.gz BNRCOARJBBLFJP-IINYFYTJSA-N 1 0 386.265 2.711 20 0 GFADRO Cc1cc(Br)cc(S(=O)(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000576399710 655446798 /nfs/dbraw/zinc/44/67/98/655446798.db2.gz RTCHLYHEZYPSHN-KGLIPLIRSA-N 1 0 387.343 2.768 20 0 GFADRO C[C@@H]([NH3+])[C@H](C)NS(=O)(=O)c1cc(Br)c(Cl)cc1Cl ZINC000576465232 655447847 /nfs/dbraw/zinc/44/78/47/655447847.db2.gz YZYPPEFQHMOWGX-RITPCOANSA-N 1 0 376.103 2.770 20 0 GFADRO O=C(NCCOc1ncc(Cl)cc1Cl)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000576569679 655449037 /nfs/dbraw/zinc/44/90/37/655449037.db2.gz VZQGSNVUEDEPKS-CYBMUJFWSA-N 1 0 387.311 2.798 20 0 GFADRO CCOc1c(Br)cc(C(=O)N[C@H]2[C@@H](C)[NH2+]CC[C@@H]2C)cc1OC ZINC000576696386 655450947 /nfs/dbraw/zinc/45/09/47/655450947.db2.gz KNAAQRCMBBBOMT-FIXISWKDSA-N 1 0 385.302 2.973 20 0 GFADRO O=C(N[C@@H]1CCc2c1ccc(Cl)c2Cl)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000576695693 655450969 /nfs/dbraw/zinc/45/09/69/655450969.db2.gz YQZRMEJSECGXIG-QMTHXVAHSA-N 1 0 380.279 2.927 20 0 GFADRO CCOc1c(Br)cc(C(=O)N[C@@H]2[C@H](C)CC[NH2+][C@@H]2C)cc1OC ZINC000576696390 655451021 /nfs/dbraw/zinc/45/10/21/655451021.db2.gz KNAAQRCMBBBOMT-UEKVPHQBSA-N 1 0 385.302 2.973 20 0 GFADRO CS(=O)(=O)C1(C(=O)Nc2ccc(SCC[NH+]3CCCCC3)cc2)CC1 ZINC000577401038 655458691 /nfs/dbraw/zinc/45/86/91/655458691.db2.gz VIBFNZKPZBMPLS-UHFFFAOYSA-N 1 0 382.551 2.780 20 0 GFADRO CSCC[C@@H]([NH3+])C(=O)NCc1cc(Br)ccc1Br ZINC000577472074 655460433 /nfs/dbraw/zinc/46/04/33/655460433.db2.gz ONPFFMKLCZZLOI-LLVKDONJSA-N 1 0 396.148 2.908 20 0 GFADRO O=C(CN1CCSC1=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000264394901 655462675 /nfs/dbraw/zinc/46/26/75/655462675.db2.gz GLUVDPZPCTXUAQ-UHFFFAOYSA-N 1 0 381.929 2.837 20 0 GFADRO [NH3+][C@@H]1CCO[C@@H](C2CCN(CC(=O)Nc3ccccc3Br)CC2)C1 ZINC000577714995 655465527 /nfs/dbraw/zinc/46/55/27/655465527.db2.gz UKHIKFOLAPGSIC-RHSMWYFYSA-N 1 0 396.329 2.606 20 0 GFADRO [NH3+][C@@H]1CCCC[C@@H]1CC(=O)NCCCNC(=O)c1cccc(Br)c1 ZINC000577746094 655466253 /nfs/dbraw/zinc/46/62/53/655466253.db2.gz FQKUUOBHVICFOE-CZUORRHYSA-N 1 0 396.329 2.593 20 0 GFADRO O=C(C[C@H]1C[NH2+]CCO1)N1CCCC[C@H]1Cc1cccc(Br)c1 ZINC000577749803 655466402 /nfs/dbraw/zinc/46/64/02/655466402.db2.gz UMOYHLLKCSOVTP-IRXDYDNUSA-N 1 0 381.314 2.751 20 0 GFADRO CN(CCCN1CC[NH+](C)CC1)C(=O)CCOc1ccc(Cl)cc1Cl ZINC000264693781 655468639 /nfs/dbraw/zinc/46/86/39/655468639.db2.gz ASIKJFONVBEACV-UHFFFAOYSA-N 1 0 388.339 2.858 20 0 GFADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)N(Cc1ccc(Cl)c(Cl)c1)C1CC1 ZINC000264772672 655470167 /nfs/dbraw/zinc/47/01/67/655470167.db2.gz NWSSQONKROUCFF-HNNXBMFYSA-N 1 0 385.339 2.913 20 0 GFADRO C[C@H](Oc1cccc(Cl)c1Cl)C(=O)NCC1([NH+](C)C)CCOCC1 ZINC000264968370 655475169 /nfs/dbraw/zinc/47/51/69/655475169.db2.gz AGUARGIWKQJIEU-LBPRGKRZSA-N 1 0 375.296 2.988 20 0 GFADRO [NH3+]CC[C@H](NC(=O)C1(c2ccc(Br)cc2)CCOCC1)C(F)F ZINC000578750641 655486349 /nfs/dbraw/zinc/48/63/49/655486349.db2.gz VCNHQOIKNVYSES-ZDUSSCGKSA-N 1 0 391.256 2.596 20 0 GFADRO CC(C)[C@@H](C(=O)N1CCN(Cc2ccc(Br)s2)CC1)[C@H](C)[NH3+] ZINC000578864140 655488245 /nfs/dbraw/zinc/48/82/45/655488245.db2.gz ZOTNNZGKPMQVGP-SWLSCSKDSA-N 1 0 388.375 2.774 20 0 GFADRO C[N@@H+]1CCCC[C@@H]1CCOC(=O)Cc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000840236347 661149154 /nfs/dbraw/zinc/14/91/54/661149154.db2.gz UQKUZTCZVQFEOG-CQSZACIVSA-N 1 0 375.437 2.643 20 0 GFADRO Cc1ccccc1[C@H]([NH3+])C(=O)NC[C@H](O)COc1cccc(Cl)c1Cl ZINC000579000979 655491382 /nfs/dbraw/zinc/49/13/82/655491382.db2.gz CPRUSOLJTCWCBZ-SJCJKPOMSA-N 1 0 383.275 2.858 20 0 GFADRO Cc1cc(Br)cc(NC(=O)C(=O)N[C@H](C)C[NH+]2CCC(C)CC2)c1 ZINC000579025797 655492052 /nfs/dbraw/zinc/49/20/52/655492052.db2.gz LMZRYQYQVKJIDB-CQSZACIVSA-N 1 0 396.329 2.933 20 0 GFADRO C[N@@H+]1CCCC[C@H]1CCOC(=O)Cc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000840236346 661149265 /nfs/dbraw/zinc/14/92/65/661149265.db2.gz UQKUZTCZVQFEOG-AWEZNQCLSA-N 1 0 375.437 2.643 20 0 GFADRO [NH3+][C@H]1CCc2ncc(NC(=O)c3cccc(I)c3)cc2C1 ZINC000579110359 655494126 /nfs/dbraw/zinc/49/41/26/655494126.db2.gz GUTZFDLVQWBXCT-ZDUSSCGKSA-N 1 0 393.228 2.755 20 0 GFADRO CC[C@@H]1C[N@H+](C)CCN1CC(=O)Nc1c(Cl)cc(Cl)cc1C(=O)OC ZINC000579230042 655496116 /nfs/dbraw/zinc/49/61/16/655496116.db2.gz VZYFAFJCCSBCQZ-GFCCVEGCSA-N 1 0 388.295 2.745 20 0 GFADRO O=C(NCc1cc(Br)ccc1Br)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000579235351 655496357 /nfs/dbraw/zinc/49/63/57/655496357.db2.gz HFUCIAKOEOVFKD-FZMZJTMJSA-N 1 0 388.103 2.827 20 0 GFADRO CC(C)(C)CC(C)(C)[NH+]1CCC(NCCS(=O)(=O)NC(C)(C)C)CC1 ZINC000579314702 655497707 /nfs/dbraw/zinc/49/77/07/655497707.db2.gz HNTFAZPALYCXOQ-UHFFFAOYSA-N 1 0 375.623 2.973 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1CN1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000579592453 655501878 /nfs/dbraw/zinc/50/18/78/655501878.db2.gz UKZFTAQOLSGHJV-LSDHHAIUSA-N 1 0 375.314 2.985 20 0 GFADRO CC1(C)CC[N@H+](CC(=O)NCc2noc(-c3cccc(Br)c3)n2)C1 ZINC000579731726 655503198 /nfs/dbraw/zinc/50/31/98/655503198.db2.gz VZXIITKSPMUDKF-UHFFFAOYSA-N 1 0 393.285 2.847 20 0 GFADRO Cc1cccc(S(=O)(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1Br ZINC000580073584 655507947 /nfs/dbraw/zinc/50/79/47/655507947.db2.gz PJYKDFYCUXZYIX-KBPBESRZSA-N 1 0 387.343 2.768 20 0 GFADRO [NH3+]CC[C@@H](NC(=O)c1ccc(Cl)c(I)c1)C(F)F ZINC000580190795 655509729 /nfs/dbraw/zinc/50/97/29/655509729.db2.gz PYGNJLWXWNZXTP-SECBINFHSA-N 1 0 388.583 2.657 20 0 GFADRO C[C@H]([NH2+][C@H]1C[C@H](S(C)(=O)=O)C1)c1ccc(I)cc1 ZINC000714252262 655522829 /nfs/dbraw/zinc/52/28/29/655522829.db2.gz AKHDSDQTVGJLNA-XDTLVQLUSA-N 1 0 379.263 2.517 20 0 GFADRO C[C@@H](CCCNC(=O)OC(C)(C)C)[NH2+]Cc1cn(C)nc1Br ZINC000720656236 655524636 /nfs/dbraw/zinc/52/46/36/655524636.db2.gz KWSWKCWATUAURA-NSHDSACASA-N 1 0 375.311 2.966 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)c2ccccc2I)C[C@H]1C(F)(F)F ZINC000720818555 655524818 /nfs/dbraw/zinc/52/48/18/655524818.db2.gz VZZACZGBKRGQTM-WCBMZHEXSA-N 1 0 398.166 2.500 20 0 GFADRO C[N@@H+]1CCC[C@H](NC(=O)N2CCO[C@@H](c3ccccc3Br)C2)C1 ZINC000726235663 655532360 /nfs/dbraw/zinc/53/23/60/655532360.db2.gz HWRMQYDXFJFVON-XJKSGUPXSA-N 1 0 382.302 2.626 20 0 GFADRO C[C@@H](NC(=S)NCc1ccc(N2CC[NH+](C)CC2)nc1)c1cccs1 ZINC000726453397 655534670 /nfs/dbraw/zinc/53/46/70/655534670.db2.gz DKAGKMFQUGCNOK-CQSZACIVSA-N 1 0 375.567 2.620 20 0 GFADRO C[NH+](C)CCNC(=S)N1CCC([C@@H]2C(=O)Nc3cc(Cl)ccc32)CC1 ZINC000727289986 655544136 /nfs/dbraw/zinc/54/41/36/655544136.db2.gz XBNHMRHZZIXTTI-INIZCTEOSA-N 1 0 380.945 2.524 20 0 GFADRO C[C@@H]1CCc2c(sc(=O)n2CN2CC[NH+](CCc3cccs3)CC2)C1 ZINC000728045430 655551863 /nfs/dbraw/zinc/55/18/63/655551863.db2.gz SCZGGJYYBDKFQE-OAHLLOKOSA-N 1 0 377.579 2.914 20 0 GFADRO C[N@H+](CCNS(=O)(=O)c1c(Cl)nc2sccn21)C1CCCCC1 ZINC000728586045 655557438 /nfs/dbraw/zinc/55/74/38/655557438.db2.gz GSQMHNAXYWTXPU-UHFFFAOYSA-N 1 0 376.935 2.592 20 0 GFADRO CC(C)CNC(=O)C1CC[NH+](C[C@@H](O)c2ccc(Br)cc2)CC1 ZINC000728911812 655559809 /nfs/dbraw/zinc/55/98/09/655559809.db2.gz JXRVSTOJWYMXCJ-QGZVFWFLSA-N 1 0 383.330 2.967 20 0 GFADRO CC[NH+]1CCC(N(C)C(=O)c2cn(-c3ccccc3Br)nn2)CC1 ZINC000729844651 655569057 /nfs/dbraw/zinc/56/90/57/655569057.db2.gz VHEIFWAVHFUNRZ-UHFFFAOYSA-N 1 0 392.301 2.586 20 0 GFADRO CC(C)[C@@H](C[NH+](C)C)NC(=O)c1cnn(-c2cccc(Br)c2)c1 ZINC000730289949 655573305 /nfs/dbraw/zinc/57/33/05/655573305.db2.gz LEGDEBNFYHEOGV-MRXNPFEDSA-N 1 0 379.302 2.951 20 0 GFADRO COCC[N@@H+]1CC[C@H](NC(=S)NCCc2ccc(Cl)cc2Cl)C1 ZINC000730733275 655577489 /nfs/dbraw/zinc/57/74/89/655577489.db2.gz JKLHKFMIMXREME-AWEZNQCLSA-N 1 0 376.353 2.721 20 0 GFADRO C[NH+](C)[C@H]1Cc2ccccc2N(C(=O)CCn2cc(Br)cn2)C1 ZINC000731465689 655583808 /nfs/dbraw/zinc/58/38/08/655583808.db2.gz LUJNDQXGTXOGPF-HNNXBMFYSA-N 1 0 377.286 2.555 20 0 GFADRO C[NH+](C)CCCNC(=S)N[C@@H]1CCCN(Cc2ccc(F)cc2Cl)C1 ZINC000731943691 655590065 /nfs/dbraw/zinc/59/00/65/655590065.db2.gz NBSNHOBLKQZAFC-MRXNPFEDSA-N 1 0 386.968 2.859 20 0 GFADRO O=C([C@@H]1CCC[N@@H+](C[C@@H](O)c2ccc(Br)cc2)C1)N1CCCC1 ZINC000732412342 655596392 /nfs/dbraw/zinc/59/63/92/655596392.db2.gz JKVJLJRPXKJHBH-NVXWUHKLSA-N 1 0 381.314 2.817 20 0 GFADRO CC(C)[C@H](C[NH+](C)C)NC(=O)[C@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000733169107 655608702 /nfs/dbraw/zinc/60/87/02/655608702.db2.gz ZORWLLYKJPFFBX-BBRMVZONSA-N 1 0 396.329 2.504 20 0 GFADRO CC(C)[C@H](C[NH+](C)C)NC(=O)c1ccn(-c2cccc(Br)c2)n1 ZINC000733168230 655608741 /nfs/dbraw/zinc/60/87/41/655608741.db2.gz RMDZDMUGLCKPSC-INIZCTEOSA-N 1 0 379.302 2.951 20 0 GFADRO COCCN(CC[NH+](C)C)C(=O)Cc1ccc(Cl)cc1Br ZINC000733260207 655610883 /nfs/dbraw/zinc/61/08/83/655610883.db2.gz YZBLWQIOAIVMOI-UHFFFAOYSA-N 1 0 377.710 2.682 20 0 GFADRO CC[C@@H](NC(=S)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)c1cccs1 ZINC000734375333 655630081 /nfs/dbraw/zinc/63/00/81/655630081.db2.gz CLJCYKSFVAAFMB-CABCVRRESA-N 1 0 382.599 2.606 20 0 GFADRO COCCNc1nn(CN2CC[NH+](C3CCC(C)CC3)CC2)c(=S)s1 ZINC000734480418 655631403 /nfs/dbraw/zinc/63/14/03/655631403.db2.gz FWSVBOMZDAPGRF-UHFFFAOYSA-N 1 0 385.603 2.886 20 0 GFADRO CC[S@](=O)CC[NH2+]Cc1sc(N2CCOCC2)nc1-c1ccccc1 ZINC000735084630 655639015 /nfs/dbraw/zinc/63/90/15/655639015.db2.gz MNWSZEQSWQSKNU-VWLOTQADSA-N 1 0 379.551 2.505 20 0 GFADRO CC[N@H+](CCNC(=O)C(=O)Nc1cccc(C2SCCS2)c1)C(C)C ZINC000735589440 655649258 /nfs/dbraw/zinc/64/92/58/655649258.db2.gz YHIYSAZPPVWZAU-UHFFFAOYSA-N 1 0 381.567 2.950 20 0 GFADRO CC(C)[NH+]1CCC(NC(=O)COC(=O)c2ccccc2Br)CC1 ZINC000735962613 655656216 /nfs/dbraw/zinc/65/62/16/655656216.db2.gz MXJKBYLVYAPBSR-UHFFFAOYSA-N 1 0 383.286 2.595 20 0 GFADRO C[C@H]1C[C@H](N(C)C(=S)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)CC[N@@H+]1C ZINC000736229420 655660366 /nfs/dbraw/zinc/66/03/66/655660366.db2.gz QKNSJLUTEROFJY-CMPLNLGQSA-N 1 0 379.921 2.631 20 0 GFADRO O=S(=O)(/C=C\c1ccccc1Cl)N1CC[NH+](CC2CCOCC2)CC1 ZINC000736345267 655662464 /nfs/dbraw/zinc/66/24/64/655662464.db2.gz WXWZWZWPFMZPCJ-AUWJEWJLSA-N 1 0 384.929 2.685 20 0 GFADRO CC(C)Oc1nn(CN2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)c(=S)s1 ZINC000738170156 655686451 /nfs/dbraw/zinc/68/64/51/655686451.db2.gz NCXNWODCDUEGLY-OAHLLOKOSA-N 1 0 385.603 2.521 20 0 GFADRO C[C@H]1C[C@@H](N(C)C(=O)c2cn(-c3ccccc3Br)nn2)CC[N@@H+]1C ZINC000741590218 655706896 /nfs/dbraw/zinc/70/68/96/655706896.db2.gz DEVXORQTMXTKOP-STQMWFEESA-N 1 0 392.301 2.585 20 0 GFADRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)c1sccc1S(=O)(=O)C(F)F ZINC000742138481 655710436 /nfs/dbraw/zinc/71/04/36/655710436.db2.gz RKCMQNSTSHKKGH-NSHDSACASA-N 1 0 380.482 2.691 20 0 GFADRO O=C(C[NH2+]Cc1cnc2ccc(Br)cn12)N1CCc2ccccc21 ZINC000742370532 655717250 /nfs/dbraw/zinc/71/72/50/655717250.db2.gz ZMLZXJOTLQLPSO-UHFFFAOYSA-N 1 0 385.265 2.776 20 0 GFADRO O=C(NC1CC[NH+](C[C@H]2CCCO2)CC1)c1ccc(F)c(Br)c1 ZINC000742669652 655720055 /nfs/dbraw/zinc/72/00/55/655720055.db2.gz MWJUCQRWOCHDTM-CQSZACIVSA-N 1 0 385.277 2.961 20 0 GFADRO CC[NH+](CC)C[C@H]1CCN(C(=O)COc2ccc(C=O)cc2Br)C1 ZINC000742867315 655722960 /nfs/dbraw/zinc/72/29/60/655722960.db2.gz KKCVAUKWZBKNMP-OAHLLOKOSA-N 1 0 397.313 2.831 20 0 GFADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)Nc1c(F)cc(Br)cc1F ZINC000743214283 655726977 /nfs/dbraw/zinc/72/69/77/655726977.db2.gz GMCIHUALMITQJT-GHMZBOCLSA-N 1 0 390.228 2.712 20 0 GFADRO CC[NH+](CC)C[C@@H]1CCN(CN2c3cccc(Br)c3C(=O)C2=O)C1 ZINC000743388316 655728547 /nfs/dbraw/zinc/72/85/47/655728547.db2.gz SOVDCUUMWWSJMU-ZDUSSCGKSA-N 1 0 394.313 2.600 20 0 GFADRO COC(=O)c1nn(CN2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)c(C)c1Br ZINC000744440269 655740032 /nfs/dbraw/zinc/74/00/32/655740032.db2.gz JOOFAXZQIVZAPQ-KGLIPLIRSA-N 1 0 399.333 2.645 20 0 GFADRO FC(F)(F)Cn1cnn(CN2CC[NH+](CCc3cccs3)CC2)c1=S ZINC000748063355 655786976 /nfs/dbraw/zinc/78/69/76/655786976.db2.gz DWRAVUYDGUXTRN-UHFFFAOYSA-N 1 0 391.488 2.856 20 0 GFADRO C[NH+](C)[C@]1(CNC(=O)NC[C@@H](O)c2ccc(Cl)cc2Cl)CCSC1 ZINC000748648401 655793320 /nfs/dbraw/zinc/79/33/20/655793320.db2.gz VBZBLAVOOYCDPL-ZBFHGGJFSA-N 1 0 392.352 2.763 20 0 GFADRO CCc1c(Cl)nc(CS(C)(=O)=O)nc1NCC[NH+](C(C)C)C(C)C ZINC000749092464 655799823 /nfs/dbraw/zinc/79/98/23/655799823.db2.gz QMOGKMMQGQUYTE-UHFFFAOYSA-N 1 0 376.954 2.768 20 0 GFADRO C[NH+](C)CCNC(=S)NCc1cc(Br)ccc1OC(F)F ZINC000749782903 655807411 /nfs/dbraw/zinc/80/74/11/655807411.db2.gz DCOJSBKWFRLAHB-UHFFFAOYSA-N 1 0 382.274 2.576 20 0 GFADRO O=c1oc2ccc(Br)cc2n1CN1CC[C@H]([NH+]2CCCCC2)C1 ZINC000749952401 655809420 /nfs/dbraw/zinc/80/94/20/655809420.db2.gz GIWTZEYTNAKKSO-AWEZNQCLSA-N 1 0 380.286 2.875 20 0 GFADRO CN(C(=O)CCCC[NH+]1CCCC1)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000750447230 655814370 /nfs/dbraw/zinc/81/43/70/655814370.db2.gz VRYMSSSRPHRKNS-MRXNPFEDSA-N 1 0 384.929 2.893 20 0 GFADRO O=C(Nc1ccc([S@@](=O)C(F)(F)F)cc1)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000750623842 655815730 /nfs/dbraw/zinc/81/57/30/655815730.db2.gz FOKPBKMAZGZXPK-ZJWNCGCPSA-N 1 0 375.416 2.920 20 0 GFADRO COC1CC[NH+](CCNC(=S)Nc2ccc(OC(F)(F)F)cc2)CC1 ZINC000751037531 655820726 /nfs/dbraw/zinc/82/07/26/655820726.db2.gz DPVVJCBDPFEOLU-UHFFFAOYSA-N 1 0 377.432 2.982 20 0 GFADRO O=C(NCC1(C[NH+]2CCOCC2)CCCCC1)c1ccc(Br)nc1 ZINC000751350635 655825574 /nfs/dbraw/zinc/82/55/74/655825574.db2.gz RJAKWUCZROIFQB-UHFFFAOYSA-N 1 0 396.329 2.857 20 0 GFADRO NC(=O)CC[N@@H+](Cc1ccccc1)C[C@@H](O)c1ccccc1Br ZINC000751570761 655831108 /nfs/dbraw/zinc/83/11/08/655831108.db2.gz VBRKLTZPAXFNQZ-QGZVFWFLSA-N 1 0 377.282 2.860 20 0 GFADRO CC(C)(C)[N@@H+]1CCCN(Cn2nc(Br)nc2Br)CC1 ZINC000751588309 655831374 /nfs/dbraw/zinc/83/13/74/655831374.db2.gz KGPOLRUASNDTHS-UHFFFAOYSA-N 1 0 395.143 2.567 20 0 GFADRO O=C(NC[C@H]1CC1(Cl)Cl)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000751604894 655831622 /nfs/dbraw/zinc/83/16/22/655831622.db2.gz BMLKYROLJOEURG-CQSZACIVSA-N 1 0 378.344 2.762 20 0 GFADRO CC[C@@H](CNC(=O)NC[C@@H]1CSCCS1)[N@@H+]1CCc2ccccc2C1 ZINC000752868495 655847507 /nfs/dbraw/zinc/84/75/07/655847507.db2.gz RUDKKZRHIOSWGK-ZWKOTPCHSA-N 1 0 379.595 2.971 20 0 GFADRO Cn1ncc(C(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)c1Br ZINC000753801767 655858890 /nfs/dbraw/zinc/85/88/90/655858890.db2.gz UFUDLOVDKPVRFP-UHFFFAOYSA-N 1 0 395.276 2.716 20 0 GFADRO O=C1NC(=O)C2(CCC([NH2+][C@H]3CCOc4c(Cl)c(Cl)ccc43)CC2)N1 ZINC000754156870 655864477 /nfs/dbraw/zinc/86/44/77/655864477.db2.gz WQUHCULQJVNRHL-SONWAFBRSA-N 1 0 384.263 2.927 20 0 GFADRO CCOC(=O)c1sc(NC(=O)C[NH2+][C@@H](CCO)c2cccs2)cc1C ZINC000754389470 655867199 /nfs/dbraw/zinc/86/71/99/655867199.db2.gz RIUMEOSVRYXINP-LBPRGKRZSA-N 1 0 382.507 2.947 20 0 GFADRO CC[N@@H+]1CCN(C(=O)Nc2cc3c(cc2Br)OCCO3)C[C@H]1C ZINC000754396235 655867354 /nfs/dbraw/zinc/86/73/54/655867354.db2.gz WPWSPHPZVZZZAM-LLVKDONJSA-N 1 0 384.274 2.778 20 0 GFADRO C[C@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1[NH2+]CCC(C)(C)S(C)(=O)=O ZINC000840875793 661197495 /nfs/dbraw/zinc/19/74/95/661197495.db2.gz HVGNISQYNGIIJP-LSDHHAIUSA-N 1 0 376.563 2.825 20 0 GFADRO COC(=O)c1cc(S(=O)(=O)NCC(C)(C)[NH+]2CCCCC2)ccc1Cl ZINC000757486847 655912213 /nfs/dbraw/zinc/91/22/13/655912213.db2.gz NENQCVBTBPEZIS-UHFFFAOYSA-N 1 0 388.917 2.669 20 0 GFADRO COC(=O)c1cc(S(=O)(=O)NCC[NH+]2[C@H](C)CCC[C@H]2C)ccc1Cl ZINC000757489989 655912414 /nfs/dbraw/zinc/91/24/14/655912414.db2.gz DLHHTLKCDFLYHA-CHWSQXEVSA-N 1 0 388.917 2.668 20 0 GFADRO C[NH+](C)[C@]1(CNC(=O)NC[C@@H](O)c2cc3ccccc3s2)CCSC1 ZINC000757722457 655915582 /nfs/dbraw/zinc/91/55/82/655915582.db2.gz LXZJYIWBPOMFPH-KDOFPFPSSA-N 1 0 379.551 2.671 20 0 GFADRO C[NH+](C)CC1CCC(NC(=O)c2cccnc2I)CC1 ZINC000758382586 655930764 /nfs/dbraw/zinc/93/07/64/655930764.db2.gz PGHFYKJSACQLIA-UHFFFAOYSA-N 1 0 387.265 2.536 20 0 GFADRO C[C@@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)C[C@@H](O)c1ccc(Cl)c(F)c1 ZINC000759844296 655965093 /nfs/dbraw/zinc/96/50/93/655965093.db2.gz MBCPMFNEMIXUNB-APPDUMDISA-N 1 0 386.876 2.853 20 0 GFADRO OC[C@@H](C[NH2+]C1CCC2(CC1)OCCO2)Cc1ccc(Br)cc1 ZINC000760030471 655967774 /nfs/dbraw/zinc/96/77/74/655967774.db2.gz CEPQMNVWJJZEST-OAHLLOKOSA-N 1 0 384.314 2.875 20 0 GFADRO C[C@H]1C[C@@H](NC(=O)c2cnn(-c3ccccc3)c2Br)CC[N@@H+]1C ZINC000760314827 655975599 /nfs/dbraw/zinc/97/55/99/655975599.db2.gz LUCWUZMNRAMTCY-STQMWFEESA-N 1 0 377.286 2.847 20 0 GFADRO C[NH+]1CCC(CNC(=S)NCc2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000760493770 655982520 /nfs/dbraw/zinc/98/25/20/655982520.db2.gz PPYBCYKPRXYOMU-UHFFFAOYSA-N 1 0 379.917 2.696 20 0 GFADRO C[C@@H]1C[C@@H](NS(=O)(=O)/C=C\c2ccccc2Br)C[N@@H+]1C1CC1 ZINC000760593880 655987000 /nfs/dbraw/zinc/98/70/00/655987000.db2.gz FBLZZWVQOQQWOL-RXHJEXLESA-N 1 0 385.327 2.964 20 0 GFADRO O=C1N[C@]2(CCSC2)C(=O)N1C[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000760945315 655995040 /nfs/dbraw/zinc/99/50/40/655995040.db2.gz XIDLGPBLWROIEY-YJBOKZPZSA-N 1 0 379.913 2.904 20 0 GFADRO C[C@@H]1C[C@H](N2C(=O)N[C@@](C)(c3cccc(Br)c3)C2=O)CC[N@@H+]1C ZINC000761286085 656007942 /nfs/dbraw/zinc/00/79/42/656007942.db2.gz ZBSXQDMAWORSIW-ZLENFMNRSA-N 1 0 380.286 2.699 20 0 GFADRO C[N@@H+]1CCC[C@@H](CN2C(=O)NC3(CCSCC3)C2=O)[C@@H]1c1cccs1 ZINC000761442006 656015968 /nfs/dbraw/zinc/01/59/68/656015968.db2.gz FJHSLOGQCNCFFQ-DZGCQCFKSA-N 1 0 379.551 2.949 20 0 GFADRO Cc1c(I)cccc1C(=O)N1CCC12CC[NH+](C)CC2 ZINC000761568928 656018324 /nfs/dbraw/zinc/01/83/24/656018324.db2.gz KGNACALMMXAGGB-UHFFFAOYSA-N 1 0 384.261 2.910 20 0 GFADRO Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1CNC[C@]1(O)CC[N@@H+](C)C1 ZINC000762556437 656049040 /nfs/dbraw/zinc/04/90/40/656049040.db2.gz SBTIDWRDTVNOBW-GOSISDBHSA-N 1 0 383.323 2.703 20 0 GFADRO COC1CC[NH+](C(C)(C)CNC(=O)N[C@@H]2CC[C@H]3SCCS[C@H]23)CC1 ZINC000762573050 656049577 /nfs/dbraw/zinc/04/95/77/656049577.db2.gz NISUDOXJJUWMPB-BZUAXINKSA-N 1 0 387.615 2.555 20 0 GFADRO O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)N[C@@H]1CC[C@H]2SCCS[C@H]12 ZINC000762635719 656053749 /nfs/dbraw/zinc/05/37/49/656053749.db2.gz ZTSRHFRYDIMVLP-BRSBDYLESA-N 1 0 377.579 2.940 20 0 GFADRO COC(=O)/C=C1\SCC(=O)N1CCC[N@H+](C)Cc1ccc(Cl)c(F)c1 ZINC000762927369 656064313 /nfs/dbraw/zinc/06/43/13/656064313.db2.gz GLCLTTYSYOUUBM-SXGWCWSVSA-N 1 0 386.876 2.891 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)N[C@@H]1CC[C@H]2SCCS[C@H]12)Cc1ccccc1 ZINC000762988192 656067729 /nfs/dbraw/zinc/06/77/29/656067729.db2.gz MHHBRVBSBPXZNS-BSDSXHPESA-N 1 0 379.595 2.838 20 0 GFADRO Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[NH2+]CCS(=O)(=O)C1CC1 ZINC000840965083 661221733 /nfs/dbraw/zinc/22/17/33/661221733.db2.gz XFRPFCFPABKXEE-UHFFFAOYSA-N 1 0 381.929 2.868 20 0 GFADRO CCCN(CC[NH+](CC)CC)S(=O)(=O)c1cc(C(=O)OC)ccc1Cl ZINC000763618895 656088459 /nfs/dbraw/zinc/08/84/59/656088459.db2.gz HTLPYBVJWPZMSW-UHFFFAOYSA-N 1 0 390.933 2.869 20 0 GFADRO C[NH+]1CCC2(CCN2C(=O)c2ccc(F)c(I)c2)CC1 ZINC000764324254 656108741 /nfs/dbraw/zinc/10/87/41/656108741.db2.gz MEYRWOVWNUNPAR-UHFFFAOYSA-N 1 0 388.224 2.741 20 0 GFADRO C[NH+](C)C1(CNC(=O)c2nc(Br)sc2C2CC2)CCOCC1 ZINC000764522292 656112533 /nfs/dbraw/zinc/11/25/33/656112533.db2.gz KYHBVZPLHLHBSQ-UHFFFAOYSA-N 1 0 388.331 2.624 20 0 GFADRO CSc1nc2ccc(NC(=O)N3CC[C@H](N4CC[NH2+]CC4)C3)cc2s1 ZINC000841010930 661226388 /nfs/dbraw/zinc/22/63/88/661226388.db2.gz WHSFRCQHMJBQFN-ZDUSSCGKSA-N 1 0 377.539 2.530 20 0 GFADRO Cc1cc(S(=O)(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)cnc1Cl ZINC000765174968 656135454 /nfs/dbraw/zinc/13/54/54/656135454.db2.gz JXCNOSXOGQBCGP-RHSMWYFYSA-N 1 0 379.913 2.842 20 0 GFADRO CS[C@@H]1CC[C@H](NC(=O)C(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)C1 ZINC000841051871 661229987 /nfs/dbraw/zinc/22/99/87/661229987.db2.gz ZOKCRSCOVZZKBF-WCQYABFASA-N 1 0 375.416 2.503 20 0 GFADRO C[NH+]1CCN(C(C)(C)CNC(=O)N2Cc3ccc(Br)cc3C2)CC1 ZINC000765873127 656154139 /nfs/dbraw/zinc/15/41/39/656154139.db2.gz BFRYGWMQXZBIPG-UHFFFAOYSA-N 1 0 395.345 2.500 20 0 GFADRO Cc1nn(Cc2c(Cl)cccc2Cl)c(Cl)c1CN(C)C[C@H](O)C[NH3+] ZINC000841092257 661232006 /nfs/dbraw/zinc/23/20/06/661232006.db2.gz LVTATLZOPVEPDT-LLVKDONJSA-N 1 0 391.730 2.951 20 0 GFADRO COCC[N@H+](C)CCCC1CCN(C(=O)NC[C@H]2CSCCS2)CC1 ZINC000766812620 656184675 /nfs/dbraw/zinc/18/46/75/656184675.db2.gz JMQKAAWIJLFANW-KRWDZBQOSA-N 1 0 389.631 2.615 20 0 GFADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)c1ccc(Cl)nc1C(F)(F)F ZINC000766895267 656187593 /nfs/dbraw/zinc/18/75/93/656187593.db2.gz QSCBHXMLIKWNJR-LLVKDONJSA-N 1 0 378.826 2.510 20 0 GFADRO CC[NH2+]Cc1cccc(NC(=O)C(=O)N2CCC(C)=C(Br)C2)c1 ZINC000841121942 661234931 /nfs/dbraw/zinc/23/49/31/661234931.db2.gz AICYIUMWGFKGOU-UHFFFAOYSA-N 1 0 380.286 2.636 20 0 GFADRO C[C@@H](C[NH+]1CCOCC1)C(=O)Nc1ccc(N2CCSCC2)c(Cl)c1 ZINC000767183711 656195854 /nfs/dbraw/zinc/19/58/54/656195854.db2.gz FOLGEHBLIBESIV-AWEZNQCLSA-N 1 0 383.945 2.800 20 0 GFADRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)c2sc(Br)nc2C)C1 ZINC000841136188 661236224 /nfs/dbraw/zinc/23/62/24/661236224.db2.gz RXACDVJRQLHGBD-LBPRGKRZSA-N 1 0 390.347 2.787 20 0 GFADRO COc1cc(S(=O)(=O)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)cnc1Cl ZINC000767703318 656215559 /nfs/dbraw/zinc/21/55/59/656215559.db2.gz BQJCOXLCTKQMQC-OKILXGFUSA-N 1 0 389.949 2.780 20 0 GFADRO O=S(=O)(/C=C/c1cccc(Cl)c1)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000768826589 656253290 /nfs/dbraw/zinc/25/32/90/656253290.db2.gz GBRBEMKZNXYAJU-UTGRISEESA-N 1 0 384.929 2.827 20 0 GFADRO [NH3+]C[C@@H](NC(=O)C(=O)Nc1ccccc1SC(F)(F)F)C1CCCC1 ZINC000841271077 661250520 /nfs/dbraw/zinc/25/05/20/661250520.db2.gz NQKITUMVQQNQCX-GFCCVEGCSA-N 1 0 375.416 2.871 20 0 GFADRO COc1c[nH+]ccc1N1CCN(C(=O)c2sc(Br)nc2C)CC1 ZINC000841212660 661244757 /nfs/dbraw/zinc/24/47/57/661244757.db2.gz FFJISWBIRRSRCO-UHFFFAOYSA-N 1 0 397.298 2.580 20 0 GFADRO C[C@H]1C[C@@H](NC(=O)C(=O)Nc2ccc3cc(Br)ccc3c2)CC[NH2+]1 ZINC000841230243 661246364 /nfs/dbraw/zinc/24/63/64/661246364.db2.gz NJNOKUWNWQOHAR-ZBEGNZNMSA-N 1 0 390.281 2.798 20 0 GFADRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)c1cccnc1I ZINC000770491155 656321093 /nfs/dbraw/zinc/32/10/93/656321093.db2.gz VQOYZBKMTMFOOU-GFCCVEGCSA-N 1 0 387.265 2.681 20 0 GFADRO COC(=O)C[C@]1([NH2+]CC(=O)Nc2ccc(Cl)cc2Cl)CCCOC1 ZINC000770701718 656327314 /nfs/dbraw/zinc/32/73/14/656327314.db2.gz RXRJNXVMPZKPML-MRXNPFEDSA-N 1 0 375.252 2.634 20 0 GFADRO CC[N@H+](CCC1CCN(S(=O)(=O)c2cnc(Cl)n2C)CC1)CC1CC1 ZINC000770721267 656328476 /nfs/dbraw/zinc/32/84/76/656328476.db2.gz XITVSVWSFRRRDB-UHFFFAOYSA-N 1 0 388.965 2.596 20 0 GFADRO [NH3+]CC[C@H](NC(=O)N1CCC(O)(c2ccccc2Cl)CC1)C(F)(F)F ZINC000841334013 661252501 /nfs/dbraw/zinc/25/25/01/661252501.db2.gz WGOSNLXOUXWIKY-ZDUSSCGKSA-N 1 0 379.810 2.613 20 0 GFADRO CNC(=O)c1cc(Br)ccc1NC(=O)C1CC[NH+](C(C)C)CC1 ZINC000771787350 656362042 /nfs/dbraw/zinc/36/20/42/656362042.db2.gz RQDVZBLZTBNTKZ-UHFFFAOYSA-N 1 0 382.302 2.868 20 0 GFADRO CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H]1Cc1ccc(Br)cc1 ZINC000771795766 656362591 /nfs/dbraw/zinc/36/25/91/656362591.db2.gz JKYWFAQKXWDVJS-IUODEOHRSA-N 1 0 382.302 2.690 20 0 GFADRO OCC[C@@H]([NH2+]Cc1nnnn1-c1ccc(Cl)cc1C(F)(F)F)C1CC1 ZINC000771806491 656362940 /nfs/dbraw/zinc/36/29/40/656362940.db2.gz XCEJEDCCFVBWEL-GFCCVEGCSA-N 1 0 375.782 2.585 20 0 GFADRO CC(C)[C@@H](C[NH+](C)C)NC(=O)c1cc(I)c(F)cc1F ZINC000772050239 656371323 /nfs/dbraw/zinc/37/13/23/656371323.db2.gz KKILGWOLIWHTHX-CYBMUJFWSA-N 1 0 396.219 2.885 20 0 GFADRO C[N@@H+]1CCC[C@H](CNC(=O)c2cc(=O)c3cc(Br)ccc3o2)C1 ZINC000841392184 661258588 /nfs/dbraw/zinc/25/85/88/661258588.db2.gz SZZHQLIJDZIKLY-LLVKDONJSA-N 1 0 379.254 2.627 20 0 GFADRO C[C@H]([NH2+][C@@H]1CC[C@H]2SCCS[C@@H]12)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000773131458 656400660 /nfs/dbraw/zinc/40/06/60/656400660.db2.gz AAKHLYFGDYJYJB-DXEWXGHRSA-N 1 0 386.608 2.967 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCC(C)(C)C1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000773145816 656401205 /nfs/dbraw/zinc/40/12/05/656401205.db2.gz NADVJWMPFIFKSF-DZGCQCFKSA-N 1 0 388.555 2.642 20 0 GFADRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2Cn2c(=O)oc3cc(Br)c(F)cc32)C1 ZINC000773316186 656411273 /nfs/dbraw/zinc/41/12/73/656411273.db2.gz YSVBXRXUDURUGF-SMDDNHRTSA-N 1 0 398.276 2.870 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc(=O)c4cc(Br)ccc4o3)C[C@@H]2C1 ZINC000841438258 661265755 /nfs/dbraw/zinc/26/57/55/661265755.db2.gz LVMQPVMVAXJUPF-NEPJUHHUSA-N 1 0 391.265 2.579 20 0 GFADRO Cc1ccc(-n2nc(Br)cc2C(=O)NCC2([NH+](C)C)CC2)cc1 ZINC000841454593 661267008 /nfs/dbraw/zinc/26/70/08/661267008.db2.gz DYJUGLKHZSWUQQ-UHFFFAOYSA-N 1 0 377.286 2.767 20 0 GFADRO C[NH+](C)[C@@H](CNS(=O)(=O)c1cccc2scnc21)Cc1ccccc1 ZINC000841475136 661268840 /nfs/dbraw/zinc/26/88/40/661268840.db2.gz ZUOQZWHMRXWHBU-OAHLLOKOSA-N 1 0 375.519 2.748 20 0 GFADRO Cc1cc(N2CC[C@H]([NH2+]Cc3cc(C)cc(Br)c3)C2=O)n(C)n1 ZINC000775004350 656584217 /nfs/dbraw/zinc/58/42/17/656584217.db2.gz BVERVHUUZSNEBB-HNNXBMFYSA-N 1 0 377.286 2.695 20 0 GFADRO Fc1ccc(N2CCN(CC[NH2+][C@@H]3CC[C@@H]4SCCS[C@@H]34)CC2)cc1 ZINC000775361886 656632385 /nfs/dbraw/zinc/63/23/85/656632385.db2.gz DJDFMANHALVCPQ-QYZOEREBSA-N 1 0 381.586 2.917 20 0 GFADRO CNC(=O)[C@H](Cc1c[nH]c2ccccc12)[NH2+][C@@H]1CC[C@@H]2SCCS[C@@H]12 ZINC000775395600 656637222 /nfs/dbraw/zinc/63/72/22/656637222.db2.gz WHSPLNGGLUOLIT-OWSLCNJRSA-N 1 0 375.563 2.794 20 0 GFADRO C[C@H]1CCCN1CC[NH2+][C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000775507992 656645011 /nfs/dbraw/zinc/64/50/11/656645011.db2.gz GMBZCUKJQKECMP-WFASDCNBSA-N 1 0 387.343 2.742 20 0 GFADRO COC(=O)[C@H]1CCCC[C@@]1(C)[NH2+]Cc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000775993705 656701135 /nfs/dbraw/zinc/70/11/35/656701135.db2.gz WPBOLOLEHURWPN-RHSMWYFYSA-N 1 0 375.437 2.894 20 0 GFADRO Cc1cnc(Br)cc1NC(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000776052180 656708872 /nfs/dbraw/zinc/70/88/72/656708872.db2.gz GDYYPXTUCTZEKX-CABCVRRESA-N 1 0 397.317 2.652 20 0 GFADRO CC(C)[C@@H](C(=O)Nc1cn2cc(Br)ncc2n1)[NH+]1CCCCC1 ZINC000776531979 656752173 /nfs/dbraw/zinc/75/21/73/656752173.db2.gz WCLHSMMCJXRFGI-HNNXBMFYSA-N 1 0 380.290 2.941 20 0 GFADRO CO[C@@H](c1ccccc1Cl)[C@@H](C)[NH2+]CCc1ccc(S(N)(=O)=O)cc1 ZINC000778245331 656871075 /nfs/dbraw/zinc/87/10/75/656871075.db2.gz OZCQFRWSAXQKSV-FZKQIMNGSA-N 1 0 382.913 2.896 20 0 GFADRO CC(C)(CO)[NH+]1CCN(C(=O)Cc2ccc(Cl)cc2Br)CC1 ZINC000778943826 656896353 /nfs/dbraw/zinc/89/63/53/656896353.db2.gz CSESWQVDJGTXQL-UHFFFAOYSA-N 1 0 389.721 2.560 20 0 GFADRO CC(C)N1CCO[C@@H](C(=[NH2+])NOCC(=O)Nc2ccc(Cl)c(Cl)c2)C1 ZINC000779649047 656935981 /nfs/dbraw/zinc/93/59/81/656935981.db2.gz GYDPCJWMRUZPGR-CQSZACIVSA-N 1 0 389.283 2.540 20 0 GFADRO C[C@H]1CN(Cn2nc(C(F)(F)F)sc2=S)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000780436773 657005850 /nfs/dbraw/zinc/00/58/50/657005850.db2.gz ICPPFJKLNHDOET-RYUDHWBXSA-N 1 0 395.520 2.608 20 0 GFADRO O=S(=O)(N1CCC([NH2+]Cc2c[nH]nc2-c2ccsc2)CC1)C(F)(F)F ZINC000780536727 657012070 /nfs/dbraw/zinc/01/20/70/657012070.db2.gz VNWNPXNWJSPGMP-UHFFFAOYSA-N 1 0 394.444 2.542 20 0 GFADRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3cn(C(C)(C)C)nc3Br)CC[C@@H]21 ZINC000780649782 657020987 /nfs/dbraw/zinc/02/09/87/657020987.db2.gz NYNAUGGNYSANQG-JSGCOSHPSA-N 1 0 383.334 2.957 20 0 GFADRO C[C@H](CNS(=O)(=O)c1ccc(F)c(Br)c1)[NH+]1CCCCC1 ZINC000780715344 657024963 /nfs/dbraw/zinc/02/49/63/657024963.db2.gz JKHDDPOHOIQOEG-LLVKDONJSA-N 1 0 379.295 2.741 20 0 GFADRO Cc1ccc(/C=C\C(=O)N2CC[N@H+](CCO)C(C)(C)C2)c(Br)c1 ZINC000781678043 657071931 /nfs/dbraw/zinc/07/19/31/657071931.db2.gz YJNPOVIRTTUPGF-SREVYHEPSA-N 1 0 381.314 2.686 20 0 GFADRO COc1ccc(C(=O)N[C@H](C)C[NH+]2C[C@H](C)C[C@@H](C)C2)nc1Br ZINC000781951662 657092229 /nfs/dbraw/zinc/09/22/29/657092229.db2.gz ZWINWRRQEPFGGQ-JHJVBQTASA-N 1 0 384.318 2.949 20 0 GFADRO COc1ccc(OC)c([C@@H](O)C[NH2+][C@H](CO)c2cccc(Br)c2)c1 ZINC000782081513 657101837 /nfs/dbraw/zinc/10/18/37/657101837.db2.gz ACCKEVOESFEGPP-SJORKVTESA-N 1 0 396.281 2.823 20 0 GFADRO CC[N@H+](CCNC(=O)c1cnn(-c2ccccc2)c1Br)C1CC1 ZINC000782169519 657109107 /nfs/dbraw/zinc/10/91/07/657109107.db2.gz LYWVILRNQWHKKA-UHFFFAOYSA-N 1 0 377.286 2.849 20 0 GFADRO O=C(Cn1cc(Br)cn1)O[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000783444278 657231184 /nfs/dbraw/zinc/23/11/84/657231184.db2.gz SAJSNBCBKGCFLO-MRXNPFEDSA-N 1 0 378.270 2.853 20 0 GFADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1S(=O)(=O)/C=C/c1ccccc1Cl ZINC000785314989 657354745 /nfs/dbraw/zinc/35/47/45/657354745.db2.gz QRVMMVJDVGTRCS-NRUITVPNSA-N 1 0 384.929 2.826 20 0 GFADRO COc1ccc(CC[NH2+]Cc2cc(Br)nn2C)c(OC)c1OC ZINC000785448506 657365435 /nfs/dbraw/zinc/36/54/35/657365435.db2.gz YAJJGPDMDIZPSE-UHFFFAOYSA-N 1 0 384.274 2.541 20 0 GFADRO COC[C@H](c1ccc(Cl)cc1)[N@H+](C)CCc1ccc(S(N)(=O)=O)cc1 ZINC000786178899 657413028 /nfs/dbraw/zinc/41/30/28/657413028.db2.gz SJYGYZRMNJLZKV-GOSISDBHSA-N 1 0 382.913 2.849 20 0 GFADRO COC(=O)N1CC([NH2+][C@@H](c2cccc(Br)c2)C2CCOCC2)C1 ZINC000786580843 657440977 /nfs/dbraw/zinc/44/09/77/657440977.db2.gz QBRVIUFDECDVOR-MRXNPFEDSA-N 1 0 383.286 2.957 20 0 GFADRO CNS(=O)(=O)c1cccc([C@H](C)[NH2+]C[C@@H](O)c2cc(F)cc(Cl)c2)c1 ZINC000787040036 657507985 /nfs/dbraw/zinc/50/79/85/657507985.db2.gz YPYRWVCSYHPKFM-APPDUMDISA-N 1 0 386.876 2.771 20 0 GFADRO COC(=O)[C@H]1CC[N@H+](Cn2ccc(=O)c3cccc(Br)c32)[C@@H]1C ZINC000787244076 657531647 /nfs/dbraw/zinc/53/16/47/657531647.db2.gz MDAVBDYDXKQYQL-NEPJUHHUSA-N 1 0 379.254 2.605 20 0 GFADRO CCO[C@@H]1C[C@H]([NH2+]Cc2cc(Br)nn2C)[C@@H]1Oc1ccccc1 ZINC000787276145 657537609 /nfs/dbraw/zinc/53/76/09/657537609.db2.gz PXAACWVIQCLUDO-UXLLHSPISA-N 1 0 380.286 2.897 20 0 GFADRO O=C(NC[C@](O)(c1ccc(Cl)cc1)C(F)(F)F)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000787413149 657553582 /nfs/dbraw/zinc/55/35/82/657553582.db2.gz GHNXBDOQDXSMIK-HOCLYGCPSA-N 1 0 376.806 2.833 20 0 GFADRO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@H]1COC2(CCCCC2)O1 ZINC000787757066 657595245 /nfs/dbraw/zinc/59/52/45/657595245.db2.gz BKATVDKXMFTJPD-ZFWWWQNUSA-N 1 0 385.302 2.665 20 0 GFADRO Cc1csc(C(=O)N2CCC23CC[NH+](C)CC3)c1I ZINC000788001271 657632706 /nfs/dbraw/zinc/63/27/06/657632706.db2.gz KGXOSUPKROBTPW-UHFFFAOYSA-N 1 0 390.290 2.971 20 0 GFADRO Cn1ccnc1[C@](O)(CC[NH2+]Cc1ncc(C(F)(F)F)s1)C(F)(F)F ZINC000788507428 657732826 /nfs/dbraw/zinc/73/28/26/657732826.db2.gz MNFQIRLHUFWHAP-LLVKDONJSA-N 1 0 388.337 2.825 20 0 GFADRO CCN(CCC[NH+]1CCCC1)C(=O)COc1ccc(C=O)cc1Br ZINC000788550906 657743507 /nfs/dbraw/zinc/74/35/07/657743507.db2.gz MDRWBXFBDAVXBG-UHFFFAOYSA-N 1 0 397.313 2.975 20 0 GFADRO COC(=O)c1sc(S(=O)(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)c(C)c1Cl ZINC000788648485 657760936 /nfs/dbraw/zinc/76/09/36/657760936.db2.gz ZPHFYTQVSKOWLV-GHMZBOCLSA-N 1 0 394.946 2.648 20 0 GFADRO CCN(CCC[NH+]1CCCC1)S(=O)(=O)c1ccc2nc(Cl)cnc2c1 ZINC000788917229 657797730 /nfs/dbraw/zinc/79/77/30/657797730.db2.gz UGIAPQSZEBSSIH-UHFFFAOYSA-N 1 0 382.917 2.780 20 0 GFADRO Cn1ncc(C(=O)Nc2cccc3c2OCC[C@@H]3[NH+](C)C)c1Br ZINC000790244674 657940771 /nfs/dbraw/zinc/94/07/71/657940771.db2.gz XTFKFVOCMOLPFE-ZDUSSCGKSA-N 1 0 379.258 2.820 20 0 GFADRO C[C@]12CCN(C(=O)NCC3([NH+]4CCCC4)CCOCC3)C[C@H]1C2(Cl)Cl ZINC000790733518 658016221 /nfs/dbraw/zinc/01/62/21/658016221.db2.gz YKDWOCSEHPYRHK-ZBFHGGJFSA-N 1 0 390.355 2.857 20 0 GFADRO Nc1nc(N2CCC[C@@H](OC(=O)c3sccc3Br)C2)cc[nH+]1 ZINC000791105275 658060237 /nfs/dbraw/zinc/06/02/37/658060237.db2.gz BTCOIFCNKCOPLC-SECBINFHSA-N 1 0 383.271 2.709 20 0 GFADRO C[NH+]1CCC(n2ccc(NC(=O)c3nc(Br)ccc3F)n2)CC1 ZINC000791747749 658170718 /nfs/dbraw/zinc/17/07/18/658170718.db2.gz LRJRFAUMBUOVRD-UHFFFAOYSA-N 1 0 382.237 2.699 20 0 GFADRO CC(C)[NH+]1CCN(CCCOC(=O)c2ccc(N)c(Br)c2)CC1 ZINC000791964171 658211752 /nfs/dbraw/zinc/21/17/52/658211752.db2.gz NYJYCQJZYJDBPW-UHFFFAOYSA-N 1 0 384.318 2.604 20 0 GFADRO CCn1c(CNC(=O)C2([NH+](C)C)CCC2)nc2cc(Br)ccc21 ZINC000791961188 658211806 /nfs/dbraw/zinc/21/18/06/658211806.db2.gz UJZVBPCGCTXARB-UHFFFAOYSA-N 1 0 379.302 2.919 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)c1nc(Br)ccc1F)Cc1ccccc1 ZINC000792026975 658223267 /nfs/dbraw/zinc/22/32/67/658223267.db2.gz CJYQKXWPGIRDSI-CYBMUJFWSA-N 1 0 380.261 2.886 20 0 GFADRO CCN1CC[NH+](C[C@@H](C)CNC(=S)Nc2cc(Cl)ccc2OC)CC1 ZINC000792679201 658309416 /nfs/dbraw/zinc/30/94/16/658309416.db2.gz GDRFSDGKGXFAGT-AWEZNQCLSA-N 1 0 384.977 2.909 20 0 GFADRO CCS(=O)(=O)c1ccc(C[NH2+]CC(C)(C)NC(=O)OC(C)(C)C)s1 ZINC000793205652 658371224 /nfs/dbraw/zinc/37/12/24/658371224.db2.gz SJKUCYPXKDJVFX-UHFFFAOYSA-N 1 0 376.544 2.935 20 0 GFADRO Cc1cc([C@@H](C)[NH2+][C@@H]2CCN(c3cccc(Br)c3)C2=O)n(C)n1 ZINC000793563538 658407902 /nfs/dbraw/zinc/40/79/02/658407902.db2.gz CVFVRYUBRWZWJE-IUODEOHRSA-N 1 0 377.286 2.947 20 0 GFADRO Cc1nc(SC(F)F)sc1CC(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000793965510 658465895 /nfs/dbraw/zinc/46/58/95/658465895.db2.gz GXHPSXSBSBUOEL-NSHDSACASA-N 1 0 393.525 2.926 20 0 GFADRO O=C(Nc1cccc(C[N@H+]2CC[C@H](O)C2)c1)c1nc(Br)ccc1F ZINC000794565488 658562092 /nfs/dbraw/zinc/56/20/92/658562092.db2.gz KDOPJJVKAAWCML-ZDUSSCGKSA-N 1 0 394.244 2.802 20 0 GFADRO O=C(Nc1cccc(C[N@H+]2CC[C@H](O)C2)c1)c1scnc1Br ZINC000794565973 658562531 /nfs/dbraw/zinc/56/25/31/658562531.db2.gz CCUICDNDWZIMPB-LBPRGKRZSA-N 1 0 382.283 2.725 20 0 GFADRO O=C(Nc1cccc(C[N@H+]2CC[C@@H](O)C2)c1)c1cccnc1Br ZINC000794592426 658571959 /nfs/dbraw/zinc/57/19/59/658571959.db2.gz KOTZAFBWYXYUNT-CQSZACIVSA-N 1 0 376.254 2.663 20 0 GFADRO Brc1ccc(C[N@H+](CCC2OCCCO2)CCn2ccnc2)o1 ZINC000796191696 658899740 /nfs/dbraw/zinc/89/97/40/658899740.db2.gz PJSRXDQZIAILBM-UHFFFAOYSA-N 1 0 384.274 2.894 20 0 GFADRO CCC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1sc(C(=O)OC)c(Cl)c1C ZINC000796201291 658901194 /nfs/dbraw/zinc/90/11/94/658901194.db2.gz HJYFBJXOTDPRAN-NSHDSACASA-N 1 0 394.946 2.649 20 0 GFADRO CC1=C(Br)CN(C(=O)C(=O)Nc2ccccc2CC[NH+](C)C)CC1 ZINC000797544378 659034218 /nfs/dbraw/zinc/03/42/18/659034218.db2.gz IGROIVMDAJDAKL-UHFFFAOYSA-N 1 0 394.313 2.630 20 0 GFADRO CC(C)[N@@H+]1CCC[C@@H](NS(=O)(=O)c2cc(Br)cnc2Cl)C1 ZINC000797832253 659058128 /nfs/dbraw/zinc/05/81/28/659058128.db2.gz SFTKRVBDDPKAGY-LLVKDONJSA-N 1 0 396.738 2.649 20 0 GFADRO CC[NH+](CC)CC[C@H](CO)Nc1ccc(F)cc1S(=O)(=O)C(F)(F)F ZINC000798215858 659082460 /nfs/dbraw/zinc/08/24/60/659082460.db2.gz QYBXIHNVBFMECJ-GFCCVEGCSA-N 1 0 386.411 2.624 20 0 GFADRO C[NH+]1CCC2(CCCN(S(=O)(=O)c3c(Cl)nc4sccn43)C2)CC1 ZINC000798466161 659109570 /nfs/dbraw/zinc/10/95/70/659109570.db2.gz JRZPAAMDWPMLON-UHFFFAOYSA-N 1 0 388.946 2.546 20 0 GFADRO CON(C)C(=O)CC[NH+]1CCN([C@H](C)c2ccc(Br)cc2)CC1 ZINC000799124028 659166871 /nfs/dbraw/zinc/16/68/71/659166871.db2.gz JVIWFKXVEOGJKX-CQSZACIVSA-N 1 0 384.318 2.538 20 0 GFADRO O=C(CN1CCC=C(Br)C1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000799327284 659181585 /nfs/dbraw/zinc/18/15/85/659181585.db2.gz OBOKGBACMLPFJX-UHFFFAOYSA-N 1 0 392.341 2.883 20 0 GFADRO O=S(=O)(CC[NH2+][C@@]1(CO)CCCc2ccccc21)c1ccc(Cl)cc1 ZINC000799335745 659183522 /nfs/dbraw/zinc/18/35/22/659183522.db2.gz JUSOCDKMCWWXGI-LJQANCHMSA-N 1 0 379.909 2.927 20 0 GFADRO NS(=O)(=O)c1cc(Cl)c(Cl)c(C(=O)OCCC[NH+]2CCCCC2)c1 ZINC000800168886 659283633 /nfs/dbraw/zinc/28/36/33/659283633.db2.gz NQAUAVWXHUSUSV-UHFFFAOYSA-N 1 0 395.308 2.674 20 0 GFADRO C[C@@H]1CN(CCOC(=O)Cc2c[nH]c3cc(Br)ccc23)CCO1 ZINC000800185950 659287561 /nfs/dbraw/zinc/28/75/61/659287561.db2.gz QQLMJZYSBHXXQL-GFCCVEGCSA-N 1 0 381.270 2.737 20 0 GFADRO CC[NH+](CC)CCCOC(=O)c1cc2c(cc1Br)NC(=O)CO2 ZINC000800197059 659289725 /nfs/dbraw/zinc/28/97/25/659289725.db2.gz FPIHKGXOPWQGBC-UHFFFAOYSA-N 1 0 385.258 2.669 20 0 GFADRO CN(CCC(=O)NC[C@H](O)c1cccc(Br)c1)c1cc[nH+]cc1 ZINC000800584298 659319045 /nfs/dbraw/zinc/31/90/45/659319045.db2.gz MOFCAJHUXOCRFP-INIZCTEOSA-N 1 0 378.270 2.520 20 0 GFADRO C[C@@H](C1CC[NH+](C)CC1)N(C)S(=O)(=O)c1cc2c(cc1Cl)CCC2=O ZINC000800929260 659351493 /nfs/dbraw/zinc/35/14/93/659351493.db2.gz AWAOCTFFSGBFTK-LBPRGKRZSA-N 1 0 384.929 2.820 20 0 GFADRO Nc1nccc([C@@H]2CCC[N@H+](C[C@H](O)c3ccc(Br)cc3)C2)n1 ZINC000801551778 659403400 /nfs/dbraw/zinc/40/34/00/659403400.db2.gz SROPZDBNCRTCKF-CJNGLKHVSA-N 1 0 377.286 2.734 20 0 GFADRO C[C@H](CNC(=O)NC[C@@H](O)c1cccc(Br)c1)C[NH+]1CCCC1 ZINC000801755084 659423884 /nfs/dbraw/zinc/42/38/84/659423884.db2.gz MYUFIEQYMHIQNN-CZUORRHYSA-N 1 0 384.318 2.514 20 0 GFADRO O=C(COC(=O)C1CC[NH+](C2CC2)CC1)Cc1cccc(Br)c1 ZINC000801874186 659431941 /nfs/dbraw/zinc/43/19/41/659431941.db2.gz LUSASLDCPNGJCL-UHFFFAOYSA-N 1 0 380.282 2.978 20 0 GFADRO C[Si](C)(C)c1ccc(C[NH+]2CCC(S(=O)(=O)N3CCCC3)CC2)cc1 ZINC000801954415 659436657 /nfs/dbraw/zinc/43/66/57/659436657.db2.gz HHFCBKGNCALDSV-UHFFFAOYSA-N 1 0 380.630 2.622 20 0 GFADRO CC(C)[N@@H+]1CCO[C@@H](COC(=O)c2ccc(I)cc2)C1 ZINC000802136336 659448086 /nfs/dbraw/zinc/44/80/86/659448086.db2.gz XLDUQUFSTBULAI-CQSZACIVSA-N 1 0 389.233 2.557 20 0 GFADRO C[NH+](C)C[C@H](NC(=O)C(=O)Nc1ccc(Cl)nc1)c1ccc(Cl)cc1 ZINC000802633346 659490977 /nfs/dbraw/zinc/49/09/77/659490977.db2.gz GCKZLQIAJIZYNM-AWEZNQCLSA-N 1 0 381.263 2.746 20 0 GFADRO C[C@H](CCNS(=O)(=O)c1ccccc1)[NH2+][C@@H]1CC[C@H]2SCCS[C@@H]12 ZINC000802660272 659493636 /nfs/dbraw/zinc/49/36/36/659493636.db2.gz GXCLUWNZDBLXNG-DZUCGIPZSA-N 1 0 386.608 2.713 20 0 GFADRO C[N@@H+]1CC[C@H]2[C@H](CCCN2CN2Cc3c(cccc3Br)C2=O)C1 ZINC000802734943 659501304 /nfs/dbraw/zinc/50/13/04/659501304.db2.gz WIQXKTCRHGFSNB-DYVFJYSZSA-N 1 0 378.314 2.779 20 0 GFADRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)[C@H]1Cc2cc(Br)ccc2O1 ZINC000804527441 659653064 /nfs/dbraw/zinc/65/30/64/659653064.db2.gz PPFXKMBEZDBQKA-ISTRZQFTSA-N 1 0 379.298 2.838 20 0 GFADRO COc1cc(C(=O)N2CCC23CC[NH+](C)CC3)cc(Br)c1OC ZINC000806924406 659844689 /nfs/dbraw/zinc/84/46/89/659844689.db2.gz HYVIZFLJKDDBFX-UHFFFAOYSA-N 1 0 383.286 2.777 20 0 GFADRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1CN1Cc2ccc(Br)cc2C1=O ZINC000808194663 659881534 /nfs/dbraw/zinc/88/15/34/659881534.db2.gz YVGBCQHQCRKMLW-SUMWQHHRSA-N 1 0 378.314 2.921 20 0 GFADRO C[NH+](C)CCOc1ccc(C=CC(=O)Nc2ccncc2Br)cc1 ZINC000808646043 659901111 /nfs/dbraw/zinc/90/11/11/659901111.db2.gz CDSRIQJOXSCZPN-VMPITWQZSA-N 1 0 390.281 2.858 20 0 GFADRO CCS(=O)(=O)N1CCC([C@H](C)[N@H+](C)C[C@H](O)c2ccccc2Cl)CC1 ZINC000808775693 659905445 /nfs/dbraw/zinc/90/54/45/659905445.db2.gz HPOAYXHXKTWYPO-KSSFIOAISA-N 1 0 388.961 2.755 20 0 GFADRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]C[C@H](O)c3ccccc3Br)[C@H]2C1 ZINC000808783627 659906127 /nfs/dbraw/zinc/90/61/27/659906127.db2.gz SSMPXMZVDAXWHE-IKICRFKJSA-N 1 0 381.314 2.719 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+]C[C@@H]2COC3(CCCCCC3)O2)cc1Cl ZINC000809425393 659927612 /nfs/dbraw/zinc/92/76/12/659927612.db2.gz KVULNAVEYSYHLO-CQSZACIVSA-N 1 0 388.917 2.543 20 0 GFADRO CCN(C[C@H]1CC[N@H+](Cc2cnc(C3OCCO3)s2)C1)CC(F)(F)F ZINC000809588125 659933242 /nfs/dbraw/zinc/93/32/42/659933242.db2.gz VZMPRPASKGVZDH-GFCCVEGCSA-N 1 0 379.448 2.895 20 0 GFADRO O=C([C@@H]1CC[N@@H+](Cc2ccccc2I)C1)N1CCCC1 ZINC000809772453 659938856 /nfs/dbraw/zinc/93/88/56/659938856.db2.gz XTPCIUNFBOCOAQ-CQSZACIVSA-N 1 0 384.261 2.736 20 0 GFADRO CC[NH+](CC)CCS(=O)(=O)N[C@H](C)[C@@H](O)c1c(Cl)cccc1Cl ZINC000810055291 659958237 /nfs/dbraw/zinc/95/82/37/659958237.db2.gz JVHRDRZPNMXYHM-IAQYHMDHSA-N 1 0 383.341 2.677 20 0 GFADRO COC(=O)c1cc(S(=O)(=O)N[C@H](C)C[N@H+](C)C(C)C)c(Cl)cc1Cl ZINC000810090968 659960739 /nfs/dbraw/zinc/96/07/39/659960739.db2.gz CLCHJUPHYXILGE-SNVBAGLBSA-N 1 0 397.324 2.787 20 0 GFADRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)c2c(Br)nnn2C)CC1 ZINC000810413857 659972316 /nfs/dbraw/zinc/97/23/16/659972316.db2.gz YJRHDOOXINMGSQ-GFCCVEGCSA-N 1 0 392.301 2.533 20 0 GFADRO CC[NH+](CC)CCCC1CCN(C(=O)c2c(Br)nnn2C)CC1 ZINC000810994821 659993370 /nfs/dbraw/zinc/99/33/70/659993370.db2.gz UMKKDIHNYQTMGY-UHFFFAOYSA-N 1 0 386.338 2.552 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)NC[C@@H](O)c2cccc(Br)c2)C1 ZINC000811505975 660010929 /nfs/dbraw/zinc/01/09/29/660010929.db2.gz VCCGCDXXDPUMBB-RHSMWYFYSA-N 1 0 387.293 2.811 20 0 GFADRO CN(C)CC[N@H+](C)CCCN(C)C(=O)c1cccnc1SC(F)(F)F ZINC000811542625 660011683 /nfs/dbraw/zinc/01/16/83/660011683.db2.gz DJIHPGCUPXJVJG-UHFFFAOYSA-N 1 0 378.464 2.649 20 0 GFADRO Cc1ccc(C(=O)N2C[C@@H]3C[N@H+](C)CC[C@@H]3C2)cc1I ZINC000812324344 660023767 /nfs/dbraw/zinc/02/37/67/660023767.db2.gz OLKUAMAAVRLYDZ-KGLIPLIRSA-N 1 0 384.261 2.623 20 0 GFADRO COC(=O)/C(C)=C\C[NH2+][C@@H](C)c1ccc(Br)cc1OCCCO ZINC000812885137 660036089 /nfs/dbraw/zinc/03/60/89/660036089.db2.gz LEBBTOHLDPCDLP-OTAKNEKHSA-N 1 0 386.286 2.980 20 0 GFADRO C[N@@H+]1CC[C@@]2(CCN(S(=O)(=O)/C=C/c3cccc(Br)c3)C2)C1 ZINC000813760239 660063371 /nfs/dbraw/zinc/06/33/71/660063371.db2.gz PNYAQCZAANJPBH-ZWIJEDICSA-N 1 0 385.327 2.777 20 0 GFADRO COCC1(C[NH2+]Cc2ccccc2I)CCOCC1 ZINC000813780761 660064540 /nfs/dbraw/zinc/06/45/40/660064540.db2.gz HUSKJZKLSZJFEL-UHFFFAOYSA-N 1 0 375.250 2.824 20 0 GFADRO COc1cc(C(=O)N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)cnc1Br ZINC000814160996 660073637 /nfs/dbraw/zinc/07/36/37/660073637.db2.gz JMBRVXWTXWQIGJ-GFCCVEGCSA-N 1 0 382.302 2.799 20 0 GFADRO O=S(=O)(c1ccc(Cl)c2nonc21)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000814382103 660078602 /nfs/dbraw/zinc/07/86/02/660078602.db2.gz LERAJCUSYBCFCE-LBPRGKRZSA-N 1 0 384.889 2.515 20 0 GFADRO C[C@](O)(C[NH+]1CCC(OCCO)CC1)c1ccc(Br)cc1Cl ZINC000815076030 660109718 /nfs/dbraw/zinc/10/97/18/660109718.db2.gz UYNSQFUIOZKQIY-INIZCTEOSA-N 1 0 392.721 2.783 20 0 GFADRO Cc1cc(Br)cc(C)c1N1CCC[C@H]([NH2+]Cc2cnn(C)n2)C1 ZINC000815139875 660114049 /nfs/dbraw/zinc/11/40/49/660114049.db2.gz HZXVMWQQDRCZRC-HNNXBMFYSA-N 1 0 378.318 2.953 20 0 GFADRO CC(C)S(=O)(=O)CC[NH2+]C1(Cc2ccc(F)cc2Cl)CCOCC1 ZINC000815220484 660117172 /nfs/dbraw/zinc/11/71/72/660117172.db2.gz KOKSWSKFJISOAD-UHFFFAOYSA-N 1 0 377.909 2.984 20 0 GFADRO C[C@@H]([NH2+]CCS(=O)(=O)N1CCOCC1)c1ccccc1SC(C)(C)C ZINC000815591438 660126005 /nfs/dbraw/zinc/12/60/05/660126005.db2.gz HMASRLLYKILYAN-OAHLLOKOSA-N 1 0 386.583 2.890 20 0 GFADRO Cn1c(=O)oc2cc(C[NH2+]C[C@H](O)c3cccc(Br)c3)ccc21 ZINC000816600156 660162222 /nfs/dbraw/zinc/16/22/22/660162222.db2.gz MVLYPECSKPKEGJ-HNNXBMFYSA-N 1 0 377.238 2.717 20 0 GFADRO CC(C)(C[NH2+]Cc1nc2ccccn2c1Br)C1(O)CCOCC1 ZINC000841890303 661317553 /nfs/dbraw/zinc/31/75/53/661317553.db2.gz MPUWJUABAHSTLK-UHFFFAOYSA-N 1 0 382.302 2.754 20 0 GFADRO CCC[C@H]([NH2+]Cc1ccc(S(N)(=O)=O)c(Cl)c1)[C@@H](O)c1ccccc1 ZINC000842207659 661327872 /nfs/dbraw/zinc/32/78/72/661327872.db2.gz PDKKYFAENAOAPP-WMZOPIPTSA-N 1 0 382.913 2.979 20 0 GFADRO O=C1[C@H](c2cccc(Br)c2)CCN1C[N@@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000842627264 661346542 /nfs/dbraw/zinc/34/65/42/661346542.db2.gz UZFDDOTTWHIAFL-PVAVHDDUSA-N 1 0 379.298 2.833 20 0 GFADRO CC(=O)c1cc(S(=O)(=O)N2CCCC[C@H]2[C@H](C)[NH3+])ccc1Br ZINC000842690665 661349504 /nfs/dbraw/zinc/34/95/04/661349504.db2.gz XOBSQGJVMWPMRT-BONVTDFDSA-N 1 0 389.315 2.542 20 0 GFADRO O=S1(=O)CCC(CC[NH2+]Cc2cc(Br)cnc2Cl)CC1 ZINC000842694844 661349778 /nfs/dbraw/zinc/34/97/78/661349778.db2.gz ZAZFXXFRIHLZBF-UHFFFAOYSA-N 1 0 381.723 2.802 20 0 GFADRO C[C@H]([NH3+])c1ccc(CNS(=O)(=O)c2cc3c(cc2Cl)CCC3=O)cc1 ZINC000842734100 661351622 /nfs/dbraw/zinc/35/16/22/661351622.db2.gz FYBPQTHZVZIMHL-NSHDSACASA-N 1 0 378.881 2.967 20 0 GFADRO [NH3+]C1C[C@H]2CCC[C@@H](C1)N2S(=O)(=O)c1cc(F)ccc1Br ZINC000842742012 661352130 /nfs/dbraw/zinc/35/21/30/661352130.db2.gz OTCXRRYDPUCQCZ-YOGCLGLASA-N 1 0 377.279 2.621 20 0 GFADRO [NH3+]C1CC2(C1)CC(NS(=O)(=O)c1cc(Cl)c(Br)cc1F)C2 ZINC000842798311 661355222 /nfs/dbraw/zinc/35/52/22/661355222.db2.gz SVYVJJKOHPJSEO-UHFFFAOYSA-N 1 0 397.697 2.790 20 0 GFADRO O=S(=O)(c1cnc(Cl)c(Cl)c1)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000842873041 661358303 /nfs/dbraw/zinc/35/83/03/661358303.db2.gz GUSFLLGOZIPBKR-RYUDHWBXSA-N 1 0 378.325 2.789 20 0 GFADRO CC(C)(C)OC(=O)NC[C@](C)(O)C[NH2+]C[C@@H](O)c1ccc(Cl)cc1Cl ZINC000843075777 661366756 /nfs/dbraw/zinc/36/67/56/661366756.db2.gz OZXQABHOGDGGCQ-RHSMWYFYSA-N 1 0 393.311 2.892 20 0 GFADRO O[C@H](C[NH2+]CC[C@@H](O)c1ccc(Cl)c(Cl)c1)COC1CCOCC1 ZINC000843100781 661367867 /nfs/dbraw/zinc/36/78/67/661367867.db2.gz ZRVFUQUIZQVOMR-CXAGYDPISA-N 1 0 378.296 2.563 20 0 GFADRO C[C@H](C[C@H](O)c1ccco1)[NH2+]C[C@H](O)COc1ccc(Br)cc1 ZINC000843098624 661367972 /nfs/dbraw/zinc/36/79/72/661367972.db2.gz ABGPZNVEKFAWNH-INWMFGNUSA-N 1 0 384.270 2.884 20 0 GFADRO C[C@](O)(C[NH2+]Cc1cccc(CO)n1)c1ccc(Br)cc1Cl ZINC000843111620 661368716 /nfs/dbraw/zinc/36/87/16/661368716.db2.gz HOJAHUWAOSCJCL-INIZCTEOSA-N 1 0 385.689 2.987 20 0 GFADRO OC[C@H](C[NH2+]C[C@H](O)c1ccccc1Br)Cc1ccncc1Cl ZINC000843113068 661368874 /nfs/dbraw/zinc/36/88/74/661368874.db2.gz KWGKIYFIVQMVJK-SJCJKPOMSA-N 1 0 399.716 2.972 20 0 GFADRO O=C1C[C@H](c2nc(C3CC[NH2+]CC3)no2)CN1c1ccccc1Br ZINC000843138252 661370567 /nfs/dbraw/zinc/37/05/67/661370567.db2.gz QTIPTPIFXWZPPY-LBPRGKRZSA-N 1 0 391.269 2.820 20 0 GFADRO Brc1cc2c(cc1Cc1nc(CC3CC[NH2+]CC3)no1)OCCO2 ZINC000843135619 661370571 /nfs/dbraw/zinc/37/05/71/661370571.db2.gz MZUUDGMZGQAFOU-UHFFFAOYSA-N 1 0 394.269 2.736 20 0 GFADRO CC(C)[C@H]([NH3+])c1noc(-c2ccc(S(=O)(=O)N3CCC(C)CC3)s2)n1 ZINC000843154180 661371226 /nfs/dbraw/zinc/37/12/26/661371226.db2.gz YOFYGPXMPAOPMI-AWEZNQCLSA-N 1 0 384.527 2.875 20 0 GFADRO COc1cc(Cc2noc(CC[NH3+])n2)c(Br)cc1OC(F)F ZINC000843202243 661372005 /nfs/dbraw/zinc/37/20/05/661372005.db2.gz CAYUSWKFVNBNQA-UHFFFAOYSA-N 1 0 378.173 2.534 20 0 GFADRO C[C@@]1(c2nc(Cc3cc(Br)c4c(c3)OCCCO4)no2)CC[NH2+]C1 ZINC000843202525 661372212 /nfs/dbraw/zinc/37/22/12/661372212.db2.gz HANQVVSKTZZXDR-QGZVFWFLSA-N 1 0 394.269 2.835 20 0 GFADRO CC(C)([NH3+])Cc1nc(Cc2cccc(F)c2I)no1 ZINC000843209739 661372834 /nfs/dbraw/zinc/37/28/34/661372834.db2.gz RALJAPTUQFPDPW-UHFFFAOYSA-N 1 0 375.185 2.684 20 0 GFADRO [NH3+]CCCCCCNC(=O)C(=O)N1CCC[C@H]1c1cccc(Br)c1 ZINC000843259933 661374728 /nfs/dbraw/zinc/37/47/28/661374728.db2.gz BAMWWNSLWUJEQI-INIZCTEOSA-N 1 0 396.329 2.748 20 0 GFADRO CN(CCN1CC[NH2+]CC1)C(=O)/C=C\c1cc(C(F)(F)F)ccc1Cl ZINC000843337483 661378199 /nfs/dbraw/zinc/37/81/99/661378199.db2.gz CQHOMUAJCSKEBU-DJWKRKHSSA-N 1 0 375.822 2.736 20 0 GFADRO O=C(CN1CCC2(C1)CC[NH2+]CC2)Nc1c(F)cc(F)cc1Br ZINC000843364066 661378806 /nfs/dbraw/zinc/37/88/06/661378806.db2.gz NLNJDCYKUIJNSX-UHFFFAOYSA-N 1 0 388.256 2.741 20 0 GFADRO OC[C@]1([C@H]([NH2+]Cc2cc(Br)cnc2Cl)C2CC2)CCCO1 ZINC000843412977 661380616 /nfs/dbraw/zinc/38/06/16/661380616.db2.gz XZKZJNPQLOMKFP-HIFRSBDPSA-N 1 0 375.694 2.907 20 0 GFADRO O=C(Cc1cc(F)ccc1Br)Nc1cnn(C2CC[NH2+]CC2)c1 ZINC000843456820 661382116 /nfs/dbraw/zinc/38/21/16/661382116.db2.gz LEYGYWQSUBFCNW-UHFFFAOYSA-N 1 0 381.249 2.890 20 0 GFADRO [NH3+]CCCCCCNC(=O)[C@H]1CCCN1C(=O)c1ccc(Br)cc1 ZINC000843510767 661383661 /nfs/dbraw/zinc/38/36/61/661383661.db2.gz VZYAXICSRAJYBD-MRXNPFEDSA-N 1 0 396.329 2.689 20 0 GFADRO CCCN(C(=O)/C=C\c1ccc(I)o1)[C@H]1CC[N@H+](C)C1 ZINC000843993465 661399835 /nfs/dbraw/zinc/39/98/35/661399835.db2.gz NGSMNMQRZYGOSE-HWPRWLFBSA-N 1 0 388.249 2.840 20 0 GFADRO CC(C)(COc1ncccc1Br)[NH2+]C[C@H]1CN(C2CC2)C(=O)O1 ZINC000844318118 661414368 /nfs/dbraw/zinc/41/43/68/661414368.db2.gz SNVWDHNHOMAAPM-LBPRGKRZSA-N 1 0 384.274 2.574 20 0 GFADRO C[N@H+](C[C@@H]1CCCOC1)CN1CC(c2ccc(Br)cc2)=CC1=O ZINC000844693016 661433981 /nfs/dbraw/zinc/43/39/81/661433981.db2.gz QJGHKTLEEVCRLC-AWEZNQCLSA-N 1 0 379.298 2.991 20 0 GFADRO Cc1nn(CN2CCO[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]32)c(=S)s1 ZINC000844730698 661437319 /nfs/dbraw/zinc/43/73/19/661437319.db2.gz QRKOZVCLVVTDFV-DLBZAZTESA-N 1 0 376.551 2.915 20 0 GFADRO C[C@H](CC(=O)O[C@@H]1CCN(c2cccc(Br)c2)C1=O)n1ccnc1 ZINC000845286986 661464186 /nfs/dbraw/zinc/46/41/86/661464186.db2.gz YMKVIFAKDBONCP-IUODEOHRSA-N 1 0 392.253 2.945 20 0 GFADRO [NH3+]CCCCCCN1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000846218532 661538847 /nfs/dbraw/zinc/53/88/47/661538847.db2.gz XLZOZFZVGAPQNG-UHFFFAOYSA-N 1 0 394.368 2.819 20 0 GFADRO Cc1cnc(Br)cc1NC(=O)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000846317282 661544836 /nfs/dbraw/zinc/54/48/36/661544836.db2.gz RNIPPKWGGDSCOR-GUTXKFCHSA-N 1 0 397.317 2.903 20 0 GFADRO Cc1cc(I)cc(C(=O)NOC2CC[NH+](C)CC2)c1C ZINC000846647833 661560606 /nfs/dbraw/zinc/56/06/06/661560606.db2.gz QPVRSLGZAJCSGX-UHFFFAOYSA-N 1 0 388.249 2.664 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(C(=O)[C@@H](O)c3cc(Cl)cc(Cl)c3)C2)C1 ZINC000846686542 661561596 /nfs/dbraw/zinc/56/15/96/661561596.db2.gz HLRVOJCXCDOYKH-FKSAFCJBSA-N 1 0 387.307 2.772 20 0 GFADRO O=C([C@@H]1CCOc2ccc(Br)cc21)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000846682134 661561645 /nfs/dbraw/zinc/56/16/45/661561645.db2.gz YHKILGLPTRROMI-RDTXWAMCSA-N 1 0 379.298 2.917 20 0 GFADRO C[C@@H]1COCCN1C1CC[NH+](C[C@H](O)c2ccc(Br)cc2)CC1 ZINC000846910066 661570248 /nfs/dbraw/zinc/57/02/48/661570248.db2.gz BCCGIKJIYWTZOY-KDOFPFPSSA-N 1 0 383.330 2.668 20 0 GFADRO CC[NH+](CC)[C@H]1CCN(C(=O)c2ccccc2S(=O)(=O)C(F)(F)F)C1 ZINC000847536286 661596134 /nfs/dbraw/zinc/59/61/34/661596134.db2.gz YWUPIKSIUCXVDZ-LBPRGKRZSA-N 1 0 378.416 2.536 20 0 GFADRO CC[N@H+](CCNC(=O)c1cnc(F)c(Br)c1)CCC(F)(F)F ZINC000847902109 661615883 /nfs/dbraw/zinc/61/58/83/661615883.db2.gz HMRPSXHLZVAUGU-UHFFFAOYSA-N 1 0 386.187 2.987 20 0 GFADRO [NH3+]C[C@H](NC(=O)COc1ccc(C2SCCCS2)cc1)C(F)(F)F ZINC000848438918 661648289 /nfs/dbraw/zinc/64/82/89/661648289.db2.gz JUWAWTAVVXJKAX-LBPRGKRZSA-N 1 0 380.457 2.940 20 0 GFADRO Cn1c(Cl)ncc1C[NH2+]C[C@H](CO)Cc1cc(Br)ccc1F ZINC000848555981 661664661 /nfs/dbraw/zinc/66/46/61/661664661.db2.gz ZLJGHAVLEZBSMY-SNVBAGLBSA-N 1 0 390.684 2.916 20 0 GFADRO O=S(=O)(Cc1noc(CC[NH2+]C2CC2)n1)c1cc(Cl)ccc1Cl ZINC000848625479 661668220 /nfs/dbraw/zinc/66/82/20/661668220.db2.gz UYVHTRBEAQZPGM-UHFFFAOYSA-N 1 0 376.265 2.645 20 0 GFADRO COC(=O)Cc1ccccc1C[NH2+]C[C@H](O)c1cccc(Br)c1 ZINC000848678036 661672177 /nfs/dbraw/zinc/67/21/77/661672177.db2.gz HSGGQKCOKPLVRF-KRWDZBQOSA-N 1 0 378.266 2.988 20 0 GFADRO [NH2+]=C(NCCNC(=O)c1ccc(Br)cc1)NCCc1cccs1 ZINC000849066245 661690965 /nfs/dbraw/zinc/69/09/65/661690965.db2.gz KSXSFCQRABNJCW-UHFFFAOYSA-N 1 0 395.326 2.597 20 0 GFADRO CC(C)(C)OC(=O)NCCNC(=[NH2+])NCc1ccsc1Br ZINC000849113743 661692950 /nfs/dbraw/zinc/69/29/50/661692950.db2.gz HXBDQWFAYVFECG-UHFFFAOYSA-N 1 0 377.308 2.649 20 0 GFADRO CC(C)(C)OC(=O)NCCNC(=[NH2+])N[C@@H]1C[C@H]1c1ccccc1Br ZINC000849112585 661692952 /nfs/dbraw/zinc/69/29/52/661692952.db2.gz WMLJPWCRNQAKBT-GXTWGEPZSA-N 1 0 397.317 2.944 20 0 GFADRO CC(C)(C)OC(=O)CS(=O)(=O)CC[NH2+]Cc1ccc(Cl)c(Cl)c1 ZINC000849330500 661706155 /nfs/dbraw/zinc/70/61/55/661706155.db2.gz SWFZSACBQRDQLX-UHFFFAOYSA-N 1 0 382.309 2.840 20 0 GFADRO C[C@H](C1=CC[N@H+](C)CC1)N1C(=O)N[C@H](c2ccccc2Br)C1=O ZINC000849354836 661708994 /nfs/dbraw/zinc/70/89/94/661708994.db2.gz WZLCOBSWHANASV-IAQYHMDHSA-N 1 0 378.270 2.692 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@H](CNS(=O)(=O)c2cc3c(cc2Cl)CCC3=O)C1 ZINC000849411848 661718654 /nfs/dbraw/zinc/71/86/54/661718654.db2.gz VZNLFFILPRZCDX-GFCCVEGCSA-N 1 0 384.929 2.868 20 0 GFADRO Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)NCc2sccc2Br)cn1 ZINC000849513925 661734252 /nfs/dbraw/zinc/73/42/52/661734252.db2.gz WZDMJJGFQDQZOM-QWHCGFSZSA-N 1 0 397.342 2.596 20 0 GFADRO CC(C)[N@@H+]1CC[C@H](C(=O)N2CCC=C(Br)C2)[C@H](c2cnn(C)c2)C1 ZINC000849585296 661734776 /nfs/dbraw/zinc/73/47/76/661734776.db2.gz BEHSQTITJFONLW-IRXDYDNUSA-N 1 0 395.345 2.745 20 0 GFADRO CCNS(=O)(=O)CC[NH2+][C@@H](c1cc(F)cc(Br)c1)C(C)C ZINC000850443767 661776400 /nfs/dbraw/zinc/77/64/00/661776400.db2.gz SUSXGXZMTAVVNA-CQSZACIVSA-N 1 0 381.311 2.814 20 0 GFADRO CCOC(=O)C(F)(F)[C@@H]1CCC[C@H]([NH2+]CC[S@](=O)CC(F)(F)F)C1 ZINC000850490367 661778305 /nfs/dbraw/zinc/77/83/05/661778305.db2.gz AKOUWRDZBGDUHH-VLBDKCSNSA-N 1 0 379.391 2.644 20 0 GFADRO CCOC(=O)C(F)(F)[C@@H]1CCC[C@@H]([NH2+]CCC2(CS(C)(=O)=O)CC2)C1 ZINC000850486024 661778405 /nfs/dbraw/zinc/77/84/05/661778405.db2.gz QKWPDXQINDMHCM-ZIAGYGMSSA-N 1 0 381.485 2.548 20 0 GFADRO O=S(=O)(CC[NH2+][C@H]1CCCOc2cc3c(cc21)CCC3)CC(F)(F)F ZINC000850517990 661780250 /nfs/dbraw/zinc/78/02/50/661780250.db2.gz BBEUVLIDUZKVHP-HNNXBMFYSA-N 1 0 377.428 2.956 20 0 GFADRO CN1CCN(Cc2ccccc2)[C@H](C[NH2+][C@@H]2CC[C@H]3SCCS[C@@H]23)C1 ZINC000850576086 661781787 /nfs/dbraw/zinc/78/17/87/661781787.db2.gz HGLULEZOXGMSNC-WTGUMLROSA-N 1 0 377.623 2.772 20 0 GFADRO O=S(=O)(c1ccc(C(F)(F)F)cn1)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000850588575 661782457 /nfs/dbraw/zinc/78/24/57/661782457.db2.gz APICCHSDYXMKAC-ZDUSSCGKSA-N 1 0 377.432 2.501 20 0 GFADRO COc1c(Br)cc(Cl)cc1S(=O)(=O)NCC1([NH3+])CCCC1 ZINC000850590670 661782792 /nfs/dbraw/zinc/78/27/92/661782792.db2.gz TUZOVTLTVJUQIB-UHFFFAOYSA-N 1 0 397.722 2.661 20 0 GFADRO CCOP(=O)(OCC)[C@H](O)C[N@H+](C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000851794100 661832400 /nfs/dbraw/zinc/83/24/00/661832400.db2.gz DHPUTRMMKAFQCU-KGLIPLIRSA-N 1 0 380.422 2.512 20 0 GFADRO CCOP(=O)(OCC)[C@H](O)C[NH+]1CCN(c2cc(F)ccc2F)CC1 ZINC000851804167 661833234 /nfs/dbraw/zinc/83/32/34/661833234.db2.gz YYTVIVRCFDIUEN-INIZCTEOSA-N 1 0 378.356 2.671 20 0 GFADRO CCC[N@@H+]1CC[C@H](NS(=O)(=O)c2cc(C(=O)OC)c(Cl)cc2Cl)C1 ZINC000851821454 661835029 /nfs/dbraw/zinc/83/50/29/661835029.db2.gz SIQMSVKYKWWYRJ-JTQLQIEISA-N 1 0 395.308 2.543 20 0 GFADRO CCOP(=O)(OCC)[C@H](O)C[NH+]1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000851823044 661835230 /nfs/dbraw/zinc/83/52/30/661835230.db2.gz DFZVIROCGMRITC-AWEZNQCLSA-N 1 0 380.422 2.560 20 0 GFADRO CC1(C)OC[C@@H](C[N@@H+]2CCC[C@H](C(=O)Nc3ccc(Br)cn3)C2)O1 ZINC000851825729 661835379 /nfs/dbraw/zinc/83/53/79/661835379.db2.gz QCKHGDDRNHZTJK-GXTWGEPZSA-N 1 0 398.301 2.646 20 0 GFADRO Cc1nccn1-c1ccc([C@@H](C)[NH2+]CCn2cnc(Br)n2)cc1 ZINC000851904397 661845571 /nfs/dbraw/zinc/84/55/71/661845571.db2.gz VWBOWPWEQNELRI-GFCCVEGCSA-N 1 0 375.274 2.886 20 0 GFADRO COC(=O)CC[N@@H+](Cc1cccc(Br)c1)C[C@@H](O)c1ccccn1 ZINC000851979639 661847794 /nfs/dbraw/zinc/84/77/94/661847794.db2.gz ZZBVKOHRGCMAMT-QGZVFWFLSA-N 1 0 393.281 2.943 20 0 GFADRO Cc1ccc(C[N@H+]2CC[C@H](CN(C)CCn3cnc(Br)n3)C2)s1 ZINC000852022932 661849538 /nfs/dbraw/zinc/84/95/38/661849538.db2.gz OOVJXYDSNPQFKS-CQSZACIVSA-N 1 0 398.374 2.864 20 0 GFADRO COC[C@@H]([NH2+]C[C@](C)(O)c1ccc(Br)cc1F)C1CCOCC1 ZINC000852321173 661860398 /nfs/dbraw/zinc/86/03/98/661860398.db2.gz JKXBIPUGKMFHBB-SJORKVTESA-N 1 0 390.293 2.827 20 0 GFADRO C[C@@]1(CCNC(=O)NCC2CC[NH+](C3CCOCC3)CC2)C[C@]1(F)Cl ZINC000852395583 661863170 /nfs/dbraw/zinc/86/31/70/661863170.db2.gz JKJXNPTVKLPWAX-QZTJIDSGSA-N 1 0 375.916 2.881 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)NC[C@H](O)c2ccccc2Br)C1 ZINC000852468820 661865364 /nfs/dbraw/zinc/86/53/64/661865364.db2.gz QWLAOHLUXCMHGQ-DOMZBBRYSA-N 1 0 384.318 2.655 20 0 GFADRO O=C(NCCC1SCCS1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000852676251 661870670 /nfs/dbraw/zinc/87/06/70/661870670.db2.gz IRVIDHRKHAENFJ-CALCHBBNSA-N 1 0 377.579 2.956 20 0 GFADRO O=C(NCCC1SCCS1)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000852677200 661870826 /nfs/dbraw/zinc/87/08/26/661870826.db2.gz IHYCBEJWYXMRQT-UHFFFAOYSA-N 1 0 387.615 2.765 20 0 GFADRO CC(C)NC(=O)[C@@H]1CCC[N@H+](C[C@H](O)c2ccc(F)c(Br)c2)C1 ZINC000852698705 661871471 /nfs/dbraw/zinc/87/14/71/661871471.db2.gz NQGYAFWKBZSCAD-CJNGLKHVSA-N 1 0 387.293 2.858 20 0 GFADRO O=C1OCCN1C1CC[NH+](C[C@H](O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000852724057 661871799 /nfs/dbraw/zinc/87/17/99/661871799.db2.gz PMWXFUCVYWACOK-ZDUSSCGKSA-N 1 0 389.279 2.650 20 0 GFADRO CNC(=O)Cc1nc(C[NH2+][C@H](C(C)C)[C@H](O)c2ccc(Cl)cc2)cs1 ZINC000852731275 661872423 /nfs/dbraw/zinc/87/24/23/661872423.db2.gz ITAUDLLTDJNMOE-QZTJIDSGSA-N 1 0 381.929 2.933 20 0 GFADRO COC(=O)NC1CC[NH+](CCOc2cc(F)cc(Br)c2)CC1 ZINC000852764698 661873781 /nfs/dbraw/zinc/87/37/81/661873781.db2.gz LCIOXAAKJNIEBP-UHFFFAOYSA-N 1 0 375.238 2.787 20 0 GFADRO C[C@H](NC(=O)c1cnn(-c2ccccc2)c1Br)[C@@H]1CCC[NH2+]C1 ZINC000852794133 661874516 /nfs/dbraw/zinc/87/45/16/661874516.db2.gz MAQGUZATRPJRSY-QWHCGFSZSA-N 1 0 377.286 2.753 20 0 GFADRO C[C@]([NH3+])(C(=O)N[C@@H]1C[C@H](O)c2ccccc21)c1ccc(Br)cc1 ZINC000852855583 661875919 /nfs/dbraw/zinc/87/59/19/661875919.db2.gz GBJLBGAIZSNQIU-SOLBZPMBSA-N 1 0 375.266 2.918 20 0 GFADRO C[C@]1(C(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)CC1(Br)Br ZINC000852873851 661876042 /nfs/dbraw/zinc/87/60/42/661876042.db2.gz FXIOHRGYVQNVTM-GMXVVIOVSA-N 1 0 394.151 2.873 20 0 GFADRO Cc1cc(Br)cn2cc(CC[NH2+]C[C@H](O)c3ccccn3)nc12 ZINC000853104889 661882558 /nfs/dbraw/zinc/88/25/58/661882558.db2.gz LKUHGHRYEFRYTQ-INIZCTEOSA-N 1 0 375.270 2.666 20 0 GFADRO O[C@H](C[NH2+][C@@H]1C[C@@H](N2CCOCC2)C12CCC2)c1ccccc1Br ZINC000853113668 661882706 /nfs/dbraw/zinc/88/27/06/661882706.db2.gz DFEKEXVMPUHPDT-KZNAEPCWSA-N 1 0 395.341 2.716 20 0 GFADRO CC(C)(C)OC(=O)NCC[C@@H](O)C[NH2+]C[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC000853117529 661882830 /nfs/dbraw/zinc/88/28/30/661882830.db2.gz WHRGLXXITSBTHP-DOMZBBRYSA-N 1 0 393.311 2.892 20 0 GFADRO CN(CC1C[NH+](C)C1)Cn1nc(COc2ccc(Cl)cc2)n(C)c1=S ZINC000853554981 661892203 /nfs/dbraw/zinc/89/22/03/661892203.db2.gz FTYHRVPYRBQWHE-UHFFFAOYSA-N 1 0 381.933 2.634 20 0 GFADRO CCC[NH+]1CCC(NC(=O)N2CC(O)(c3ccc(Br)cc3)C2)CC1 ZINC000853786065 661900967 /nfs/dbraw/zinc/90/09/67/661900967.db2.gz AXHGLJRZENJVMD-UHFFFAOYSA-N 1 0 396.329 2.536 20 0 GFADRO CC(C)Oc1ccc2[nH+]ccc(NCCS(=O)(=O)CC(F)(F)F)c2c1 ZINC000853817341 661902638 /nfs/dbraw/zinc/90/26/38/661902638.db2.gz TWWNFJZDZSJKES-UHFFFAOYSA-N 1 0 376.400 2.833 20 0 GFADRO C[C@@]1(CCNC(=O)N2CCC[C@H]([NH+]3CCOCC3)CC2)CC1(Cl)Cl ZINC000854113906 661915010 /nfs/dbraw/zinc/91/50/10/661915010.db2.gz UFZZWQUTFHICTK-GOEBONIOSA-N 1 0 378.344 2.857 20 0 GFADRO CC[C@@H]([NH2+]C)c1nc(-c2ccc3ncc(I)n3c2)no1 ZINC000854153676 661916742 /nfs/dbraw/zinc/91/67/42/661916742.db2.gz VSRFRSJMLGJOMT-SECBINFHSA-N 1 0 383.193 2.659 20 0 GFADRO Brc1cc(-c2nc(N3CC[NH2+]CC3)no2)cc(N2CCCC2)c1 ZINC000854163353 661917346 /nfs/dbraw/zinc/91/73/46/661917346.db2.gz RNMKWAKGSORVAL-UHFFFAOYSA-N 1 0 378.274 2.509 20 0 GFADRO C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)COc1ccc(C=O)cc1Br)C2 ZINC000854738439 661952268 /nfs/dbraw/zinc/95/22/68/661952268.db2.gz LOQKGMDRZVAOOZ-SFHVURJKSA-N 1 0 395.297 2.585 20 0 GFADRO CC[N@H+](C)[C@@H](C(=O)N1CCn2ncc(Br)c2C1)c1ccccc1 ZINC000856010479 662015284 /nfs/dbraw/zinc/01/52/84/662015284.db2.gz IUJCGBBTKAECEI-MRXNPFEDSA-N 1 0 377.286 2.681 20 0 GFADRO C[NH+](C)CCC[C@H]1CN(C(=O)c2c(Cl)nc3cc(Cl)ccn32)CCO1 ZINC000856432306 662033566 /nfs/dbraw/zinc/03/35/66/662033566.db2.gz XOTYJRSTMMCQGB-ZDUSSCGKSA-N 1 0 385.295 2.824 20 0 GFADRO COc1cc(/C=C/C(=O)N2CC[NH2+][C@H](C(C)C)C2)cc(Br)c1O ZINC000856485173 662035905 /nfs/dbraw/zinc/03/59/05/662035905.db2.gz LVECSLOBUZFPOU-NNTXTVRGSA-N 1 0 383.286 2.633 20 0 GFADRO CC[N@H+](C)Cc1cc(O[C@@H]2CCN(C(=O)c3nc(Cl)cs3)C2)ccn1 ZINC000856627959 662037776 /nfs/dbraw/zinc/03/77/76/662037776.db2.gz RYFGWVVGRQJRQM-CQSZACIVSA-N 1 0 380.901 2.937 20 0 GFADRO Cn1cc(C[NH2+]CCOc2ccc(S(=O)(=O)C(F)(F)F)cc2)c(Cl)n1 ZINC000856776046 662043729 /nfs/dbraw/zinc/04/37/29/662043729.db2.gz NDHZSGBSSXZKIJ-UHFFFAOYSA-N 1 0 397.806 2.536 20 0 GFADRO C[N@@H+]1CCC[C@@H](c2cccc(C(=O)NCC[S@](=O)CC(F)(F)F)c2)C1 ZINC000857302430 662072424 /nfs/dbraw/zinc/07/24/24/662072424.db2.gz QWZKRVFFZXEEFQ-BZQUYTCOSA-N 1 0 376.444 2.537 20 0 GFADRO O=C(NCCC[NH2+][C@@H]1CCCc2cn[nH]c21)c1ccc(Br)cc1 ZINC000857852794 662092268 /nfs/dbraw/zinc/09/22/68/662092268.db2.gz WVJZNAJTNKAZKZ-OAHLLOKOSA-N 1 0 377.286 2.959 20 0 GFADRO COc1ccc(Br)cc1C[C@@H](CO)C[NH2+][C@H]1CCCc2cn[nH]c21 ZINC000857869366 662092727 /nfs/dbraw/zinc/09/27/27/662092727.db2.gz NPBPATRZEQONSX-WBMJQRKESA-N 1 0 394.313 2.999 20 0 GFADRO COCO[C@@H](C)c1cc(F)c(C[NH2+]CCCNC(C)=O)cc1Br ZINC000858090221 662098325 /nfs/dbraw/zinc/09/83/25/662098325.db2.gz DWTOZFZCXQHYJT-NSHDSACASA-N 1 0 391.281 2.886 20 0 GFADRO COCO[C@@H](C)c1cc(F)c(C[NH2+]C[C@@H]2CCC(=O)N2)cc1Br ZINC000858192950 662104044 /nfs/dbraw/zinc/10/40/44/662104044.db2.gz RVSFQSDORBHCBN-JQWIXIFHSA-N 1 0 389.265 2.638 20 0 GFADRO C[C@@H]1C[NH+](CCCNC(=O)c2ccc(SC(F)(F)F)nc2)C[C@@H](C)O1 ZINC000858239054 662105756 /nfs/dbraw/zinc/10/57/56/662105756.db2.gz OLXNBRVVBXSSAU-VXGBXAGGSA-N 1 0 377.432 2.923 20 0 GFADRO COc1ccc(C[C@@H](CO)CNc2cc[nH+]c(CO)c2)cc1Br ZINC000858563444 662114975 /nfs/dbraw/zinc/11/49/75/662114975.db2.gz TZGJADQFZBAUMI-CYBMUJFWSA-N 1 0 381.270 2.608 20 0 GFADRO C[C@@H]([NH2+]C[C@H]1CN(Cc2ccncc2)CCO1)c1ccc(Br)nc1 ZINC000858564081 662115043 /nfs/dbraw/zinc/11/50/43/662115043.db2.gz DVDKNPZQPZJCNU-PBHICJAKSA-N 1 0 391.313 2.791 20 0 GFADRO COC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](C)[C@@H]2CC[NH3+])cc1Cl ZINC000858616309 662116612 /nfs/dbraw/zinc/11/66/12/662116612.db2.gz RYKDQSOCRNUXFV-ABAIWWIYSA-N 1 0 389.905 2.656 20 0 GFADRO [NH3+]C[C@H]1CN(S(=O)(=O)c2ccc(Cl)nc2Cl)CC[C@H]1C(F)(F)F ZINC000858622850 662116805 /nfs/dbraw/zinc/11/68/05/662116805.db2.gz AVZPIBAEIRNMLM-JGVFFNPUSA-N 1 0 392.230 2.536 20 0 GFADRO C[C@]12C[NH2+]C[C@@]1(C)CN(S(=O)(=O)/C=C\c1ccccc1Br)C2 ZINC000858636508 662117569 /nfs/dbraw/zinc/11/75/69/662117569.db2.gz OAVYFAAJLLLXRL-CMKSSICZSA-N 1 0 385.327 2.681 20 0 GFADRO O=C(NC[C@@H](O)c1cccc(Br)c1)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000858872196 662125306 /nfs/dbraw/zinc/12/53/06/662125306.db2.gz RBCBSKKFAOPVPB-IAGOWNOFSA-N 1 0 396.329 2.799 20 0 GFADRO CC(C)(CNS(=O)(=O)c1ccc(Br)nc1F)[NH+]1CCCCC1 ZINC000858896943 662126621 /nfs/dbraw/zinc/12/66/21/662126621.db2.gz VCXMLGIRHPBPPQ-UHFFFAOYSA-N 1 0 394.310 2.526 20 0 GFADRO CC(C)[C@H](CNC(=O)OCc1ccc(Br)cc1)[NH+]1CCN(C)CC1 ZINC000859026034 662132406 /nfs/dbraw/zinc/13/24/06/662132406.db2.gz ZXIKHWRYIMRBLK-KRWDZBQOSA-N 1 0 398.345 2.947 20 0 GFADRO CC[NH+](CC)CCN(CCOC)C(=O)c1cc(Br)cc(C=O)c1 ZINC000859226618 662146312 /nfs/dbraw/zinc/14/63/12/662146312.db2.gz SFTQJNCDPYNTSL-UHFFFAOYSA-N 1 0 385.302 2.692 20 0 GFADRO CC1(C)OC[C@H](CC[NH2+][C@]2(CO)CCc3cc(Br)ccc3C2)O1 ZINC000859573719 662168279 /nfs/dbraw/zinc/16/82/79/662168279.db2.gz BIIRQEHOSLCLBS-FUHWJXTLSA-N 1 0 384.314 2.800 20 0 GFADRO O=C(c1ccc(SC(F)(F)F)nc1)N1CC[NH+](C2CCOCC2)CC1 ZINC000859830247 662176133 /nfs/dbraw/zinc/17/61/33/662176133.db2.gz PUKGVLFMPQAJDZ-UHFFFAOYSA-N 1 0 375.416 2.630 20 0 GFADRO O=c1ccc([C@@H]2OCC[C@H]2[NH2+]C[C@@H](O)c2ccc(Br)cc2)c[nH]1 ZINC000859878491 662177386 /nfs/dbraw/zinc/17/73/86/662177386.db2.gz HNGNUKXOPVDIGJ-INMHGKMJSA-N 1 0 379.254 2.703 20 0 GFADRO Cc1ccc(NC(=O)N2CCC(C)([NH+]3CCOCC3)CC2)c(Br)n1 ZINC000860802498 662216221 /nfs/dbraw/zinc/21/62/21/662216221.db2.gz CKKSOYXVWZZINJ-UHFFFAOYSA-N 1 0 397.317 2.871 20 0 GFADRO CO[C@H](C(=O)OC[C@@]1(C)C[C@H](OC)C[N@@H+]1C)c1ccccc1Br ZINC000861356367 662242307 /nfs/dbraw/zinc/24/23/07/662242307.db2.gz KBDAWCNZCPGABI-YLQAJVPDSA-N 1 0 386.286 2.789 20 0 GFADRO CO[C@@H]1C[N@H+](C)[C@](C)(COC(=O)[C@H]2CCOc3ccc(Br)cc32)C1 ZINC000861356697 662242602 /nfs/dbraw/zinc/24/26/02/662242602.db2.gz NWZYZZDUHBCKCH-DEYYWGMASA-N 1 0 398.297 2.968 20 0 GFADRO CCc1cc(Cl)cnc1NC(=O)C(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000861671507 662254434 /nfs/dbraw/zinc/25/44/34/662254434.db2.gz NFXCFAXNYDIQIV-CYBMUJFWSA-N 1 0 380.901 2.717 20 0 GFADRO C[NH+](C)C1CCN(C(=O)C(=O)Nc2cccc(SC(F)(F)F)c2)CC1 ZINC000861701366 662255656 /nfs/dbraw/zinc/25/56/56/662255656.db2.gz SCIOPVBANJKSMT-UHFFFAOYSA-N 1 0 375.416 2.790 20 0 GFADRO C[NH+](C)C1(CNC(=O)C(=O)Nc2cccc(SC(F)(F)F)c2)CCC1 ZINC000861813375 662259583 /nfs/dbraw/zinc/25/95/83/662259583.db2.gz NWTVHKFMLXLAAX-UHFFFAOYSA-N 1 0 375.416 2.838 20 0 GFADRO CNC(=O)CC[N@H+](C)Cc1cc(Br)c([C@@H](C)OCOC)cc1F ZINC000862238899 662275636 /nfs/dbraw/zinc/27/56/36/662275636.db2.gz NZRDCFWUONJDJH-LLVKDONJSA-N 1 0 391.281 2.838 20 0 GFADRO C[C@H]([NH2+]C1CCN(S(C)(=O)=O)CC1)c1ccc(C(F)(F)F)nc1Cl ZINC000862378308 662283732 /nfs/dbraw/zinc/28/37/32/662283732.db2.gz CHJQYQIDVQLWQG-VIFPVBQESA-N 1 0 385.839 2.828 20 0 GFADRO CC(C)(C)OC(=O)N1CC(F)(F)C[C@@H]1C[NH2+]CC[S@@](=O)CC(F)(F)F ZINC000862409048 662286042 /nfs/dbraw/zinc/28/60/42/662286042.db2.gz NIINTSHNEPJGPZ-REFGNXHDSA-N 1 0 394.406 2.532 20 0 GFADRO O=C(CCCC[NH+]1CCCC1)NN1Cc2ccc(Br)cc2C1=O ZINC000862644566 662295940 /nfs/dbraw/zinc/29/59/40/662295940.db2.gz RGSJQZHHLXBFTF-UHFFFAOYSA-N 1 0 380.286 2.702 20 0 GFADRO C[N@@H+]1CCCC[C@H](CNC(=O)/C=C\c2ccc(I)o2)C1 ZINC000862790712 662301758 /nfs/dbraw/zinc/30/17/58/662301758.db2.gz UTPBLHXBGMSUKR-XYLWRLHESA-N 1 0 388.249 2.746 20 0 GFADRO C[N@@H+]1CCCC[C@H](CNC(=O)[C@@]2(C)CC2(Br)Br)C1 ZINC000862796561 662301813 /nfs/dbraw/zinc/30/18/13/662301813.db2.gz RPAUIQDIDWPMNB-ZYHUDNBSSA-N 1 0 382.140 2.731 20 0 GFADRO CC(C)NC(=O)CNC(=S)N[C@@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000863230662 662316309 /nfs/dbraw/zinc/31/63/09/662316309.db2.gz MSHHRBQEMQTLHD-AWEZNQCLSA-N 1 0 391.368 2.585 20 0 GFADRO COc1nsc(C[NH2+]C[C@H]2CC3(CO2)CCOCC3)c1Br ZINC000864053682 662352873 /nfs/dbraw/zinc/35/28/73/662352873.db2.gz MLBOFSUTJABESI-SNVBAGLBSA-N 1 0 377.304 2.590 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)c2cc(Br)cnc2F)CC[C@H]1C(F)(F)F ZINC000864086947 662354090 /nfs/dbraw/zinc/35/40/90/662354090.db2.gz LVSRLSDLPVKMIR-GMSGAONNSA-N 1 0 384.171 2.583 20 0 GFADRO CC1(C)[C@H](NC(=O)c2cc3c(cc2Br)OCO3)[C@@H]2CCC[NH2+][C@H]21 ZINC000864088548 662354385 /nfs/dbraw/zinc/35/43/85/662354385.db2.gz DUKFHORDAQKELZ-DFKRKDTASA-N 1 0 381.270 2.684 20 0 GFADRO C[C@]1(C(=O)N[C@@H]2[C@H]3CCC[NH2+][C@H]3C2(C)C)CC1(Br)Br ZINC000864089911 662354439 /nfs/dbraw/zinc/35/44/39/662354439.db2.gz VKCYKRNJBQBLES-DCJFZGGZSA-N 1 0 394.151 2.775 20 0 GFADRO CC[C@H](C)[N@H+](C)CCNC(=O)c1cnn(C(C)C)c1I ZINC000865125920 662400211 /nfs/dbraw/zinc/40/02/11/662400211.db2.gz LTJSNMYGNNWMGC-NSHDSACASA-N 1 0 392.285 2.529 20 0 GFADRO CSCC[C@@H]1NC(=S)N(C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)C1=O ZINC000865212024 662404420 /nfs/dbraw/zinc/40/44/20/662404420.db2.gz FJAJCZZEWJBNRI-OIISXLGYSA-N 1 0 377.579 2.593 20 0 GFADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=S)Nc1c(F)cc(Cl)cc1Cl ZINC000865240222 662407216 /nfs/dbraw/zinc/40/72/16/662407216.db2.gz PXLBWRZOWSXLPO-LBPRGKRZSA-N 1 0 393.315 2.759 20 0 GFADRO CN1C(=O)N([C@@H]2CC[N@H+](CC3CC3)C2)C(=O)[C@@H]1c1ccc(Br)s1 ZINC000865302553 662411336 /nfs/dbraw/zinc/41/13/36/662411336.db2.gz SIRUASCPDNFVFQ-RISCZKNCSA-N 1 0 398.326 2.930 20 0 GFADRO Cc1ccnc(CNCc2ccnc(N3CC[NH+](C)CC3)c2)c1Br ZINC000865414670 662419645 /nfs/dbraw/zinc/41/96/45/662419645.db2.gz BXHQTOLAZAKNPJ-UHFFFAOYSA-N 1 0 390.329 2.589 20 0 GFADRO Cc1ccnc(CNCc2cccnc2N2CC[NH+](C)CC2)c1Br ZINC000865431582 662421150 /nfs/dbraw/zinc/42/11/50/662421150.db2.gz NSOGGLSSTFKZRL-UHFFFAOYSA-N 1 0 390.329 2.589 20 0 GFADRO CCOc1cc(F)cc(C[NH2+]C2CCN(S(=O)(=O)C(F)(F)F)CC2)c1 ZINC000865488437 662424376 /nfs/dbraw/zinc/42/43/76/662424376.db2.gz CSPNTDPQHFFGDQ-UHFFFAOYSA-N 1 0 384.395 2.628 20 0 GFADRO CCC[NH+]1CCC(CNc2ccc(Br)cc2S(N)(=O)=O)CC1 ZINC000865486929 662424464 /nfs/dbraw/zinc/42/44/64/662424464.db2.gz GWDHWWIZABQFKH-UHFFFAOYSA-N 1 0 390.347 2.630 20 0 GFADRO Cc1ccc(C[NH2+]C[C@@H]2CCC[C@]23NC(=O)N(C)C3=O)c(C)c1Br ZINC000865481867 662424687 /nfs/dbraw/zinc/42/46/87/662424687.db2.gz XABJBHUXVUMJPP-KSSFIOAISA-N 1 0 394.313 2.876 20 0 GFADRO C[NH+](C)CCNC(=O)c1cccc(CNc2cccc(Br)n2)c1 ZINC000865501536 662425301 /nfs/dbraw/zinc/42/53/01/662425301.db2.gz FMXVYXUDXFBPCJ-UHFFFAOYSA-N 1 0 377.286 2.748 20 0 GFADRO C[C@H](C[C@@H](O)c1ccc(F)cc1)[NH2+]Cc1ccc(Cl)c(S(N)(=O)=O)c1 ZINC000865513990 662425880 /nfs/dbraw/zinc/42/58/80/662425880.db2.gz BDILJGXPTFNALC-BDJLRTHQSA-N 1 0 386.876 2.728 20 0 GFADRO Brc1ccc(C[NH2+][C@H]2[C@@H]3OC[C@H]4C[C@H]2C[C@H]34)c(N2CCOCC2)c1 ZINC000865697133 662437264 /nfs/dbraw/zinc/43/72/64/662437264.db2.gz VQDCWNHQCSTJJS-WMRANVBESA-N 1 0 393.325 2.799 20 0 GFADRO CC(C)(C)OC(=O)CN1CCC([NH2+]Cc2ccc(Br)cn2)CC1 ZINC000865776426 662442727 /nfs/dbraw/zinc/44/27/27/662442727.db2.gz VMGFGQYJOOOSFF-UHFFFAOYSA-N 1 0 384.318 2.740 20 0 GFADRO CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]C[C@@H]1CC2(CO1)CCOCC2 ZINC000865779239 662443154 /nfs/dbraw/zinc/44/31/54/662443154.db2.gz FJPFFPDRIYJQCO-HNNXBMFYSA-N 1 0 387.929 2.809 20 0 GFADRO CC[NH+](CC)CCCCNC(=O)[C@@H](NC(C)=O)c1cccc(Br)c1 ZINC000865793615 662444099 /nfs/dbraw/zinc/44/40/99/662444099.db2.gz TVBDXHAOLRJLHQ-KRWDZBQOSA-N 1 0 398.345 2.865 20 0 GFADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000865803036 662444378 /nfs/dbraw/zinc/44/43/78/662444378.db2.gz ZCZNPGVRHPHLDI-ZDUSSCGKSA-N 1 0 386.323 2.566 20 0 GFADRO O=C1NCCN1Cc1ccc(C[NH2+]Cc2ccc(Br)cn2)cc1 ZINC000865816030 662445213 /nfs/dbraw/zinc/44/52/13/662445213.db2.gz WOXWNXXYFYQIIZ-UHFFFAOYSA-N 1 0 375.270 2.659 20 0 GFADRO CC[C@H](C[C@H](C)O)[NH2+]Cc1cc(Br)ccc1O[C@@H](C)C(=O)NC ZINC000865874170 662448963 /nfs/dbraw/zinc/44/89/63/662448963.db2.gz TZYHAYJSBFNEMQ-SLEUVZQESA-N 1 0 387.318 2.602 20 0 GFADRO C/C(=C/c1ccc(Br)o1)C(=O)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000866092178 662460259 /nfs/dbraw/zinc/46/02/59/662460259.db2.gz GHGQLMBKEQHANS-QLKUMGTLSA-N 1 0 383.286 2.626 20 0 GFADRO C[C@H]([NH2+]CC[C@H]1CCSC1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000866404207 662470475 /nfs/dbraw/zinc/47/04/75/662470475.db2.gz YSNPKLXUXJQCFW-HOTGVXAUSA-N 1 0 384.567 2.501 20 0 GFADRO CNS(=O)(=O)c1ccc(CC[NH2+][C@H](C)c2cnc(OC)c(Cl)c2)cc1 ZINC000866579979 662481573 /nfs/dbraw/zinc/48/15/73/662481573.db2.gz WCPSDEBFRAFMLH-GFCCVEGCSA-N 1 0 383.901 2.545 20 0 GFADRO CCCCN(C1CC(C)(C)[NH2+]C(C)(C)C1)S(=O)(=O)N=[S@@](C)(=O)CC ZINC000866601031 662483382 /nfs/dbraw/zinc/48/33/82/662483382.db2.gz NXOLWIUACPRMNH-QHCPKHFHSA-N 1 0 381.608 2.760 20 0 GFADRO CC(C)[NH+]1CCC(O)(CNC(=O)c2nc(Br)sc2Cl)CC1 ZINC000866614992 662483970 /nfs/dbraw/zinc/48/39/70/662483970.db2.gz RXGGIVGTILMCPE-UHFFFAOYSA-N 1 0 396.738 2.524 20 0 GFADRO CC(C)(C)[C@@]1(C[NH3+])CCN([C@@H](C(N)=O)c2ccc(Br)cc2F)C1 ZINC000866708177 662490865 /nfs/dbraw/zinc/49/08/65/662490865.db2.gz YAFJAKKTBZQDSD-RHSMWYFYSA-N 1 0 386.309 2.812 20 0 GFADRO C[NH2+]CC1CCN(S(=O)(=O)Cc2cc(C)ccc2Br)CC1 ZINC000866740254 662493440 /nfs/dbraw/zinc/49/34/40/662493440.db2.gz LZIVNRJOYPNIMT-UHFFFAOYSA-N 1 0 375.332 2.519 20 0 GFADRO COC1CC[NH+](C(C)(C)CNS(=O)(=O)Cc2ccc(F)cc2Cl)CC1 ZINC000866751900 662494601 /nfs/dbraw/zinc/49/46/01/662494601.db2.gz AXMFMGCIIMUBHF-UHFFFAOYSA-N 1 0 392.924 2.788 20 0 GFADRO Cc1ccc(Br)c(CS(=O)(=O)NC[C@H]2CCC[N@@H+](C)C2)c1 ZINC000866753960 662494853 /nfs/dbraw/zinc/49/48/53/662494853.db2.gz JOINUSCZIDBBDR-CYBMUJFWSA-N 1 0 375.332 2.519 20 0 GFADRO COC(=O)c1c(Cl)cccc1S(=O)(=O)N1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866813937 662501415 /nfs/dbraw/zinc/50/14/15/662501415.db2.gz GUBLIVNGIRLAPQ-QGZVFWFLSA-N 1 0 388.917 2.512 20 0 GFADRO CC(C)(C)[C@]1(C[NH3+])CCN(S(=O)(=O)c2ccc(F)cc2Br)C1 ZINC000866815812 662501505 /nfs/dbraw/zinc/50/15/05/662501505.db2.gz HLFHIQXWMTVHMI-HNNXBMFYSA-N 1 0 393.322 2.974 20 0 GFADRO COCCC1(NS(=O)(=O)c2c(Cl)cc(F)cc2Cl)CC[NH2+]CC1 ZINC000866821811 662501827 /nfs/dbraw/zinc/50/18/27/662501827.db2.gz SKMUFJIHLBLTAS-UHFFFAOYSA-N 1 0 385.288 2.570 20 0 GFADRO O=S(=O)(c1ccc(Br)cc1Cl)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000866829927 662502568 /nfs/dbraw/zinc/50/25/68/662502568.db2.gz AHKSQPJBNMMFRB-NWDGAFQWSA-N 1 0 379.707 2.618 20 0 GFADRO C[C@]1(CS(=O)(=O)N2CCCN(c3cc[nH+]cc3)CC2)CC1(Cl)Cl ZINC000867706497 662568406 /nfs/dbraw/zinc/56/84/06/662568406.db2.gz YFACRWBSZSLCMQ-CQSZACIVSA-N 1 0 378.325 2.507 20 0 GFADRO CC(C)CN(CC1CC[NH+](C)CC1)S(=O)(=O)c1ccc(Cl)nc1F ZINC000867864060 662584002 /nfs/dbraw/zinc/58/40/02/662584002.db2.gz MLTZEYCAFGMDLB-UHFFFAOYSA-N 1 0 377.913 2.863 20 0 GFADRO [NH3+][C@@H](C(=O)NC[C@H]1COc2ccccc2C1)c1cccc(Br)c1 ZINC000867945199 662588572 /nfs/dbraw/zinc/58/85/72/662588572.db2.gz AHJMSQXOHLQNIL-YVEFUNNKSA-N 1 0 375.266 2.816 20 0 GFADRO COc1ccc(CCNC(=O)[C@H]([NH3+])c2cccc(Br)c2)c(OC)c1 ZINC000867953135 662589041 /nfs/dbraw/zinc/58/90/41/662589041.db2.gz NSSIDBWJOMYHRJ-QGZVFWFLSA-N 1 0 393.281 2.825 20 0 GFADRO C[C@H](NC(=O)c1ccn(-c2cccc(Br)c2)n1)C1CC[NH2+]CC1 ZINC000868009690 662591262 /nfs/dbraw/zinc/59/12/62/662591262.db2.gz IHMKSDOCMDLOTD-LBPRGKRZSA-N 1 0 377.286 2.753 20 0 GFADRO CC(C)n1ncc(C(=O)N2CCC[C@H]([NH+]3CCOCC3)CC2)c1Br ZINC000868047555 662592537 /nfs/dbraw/zinc/59/25/37/662592537.db2.gz RHPLOTRONKWDKG-AWEZNQCLSA-N 1 0 399.333 2.553 20 0 GFADRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1cc(Br)cn2ccnc12 ZINC000868335665 662602189 /nfs/dbraw/zinc/60/21/89/662602189.db2.gz MPDRDQLJLBBTNC-DOMZBBRYSA-N 1 0 377.286 2.796 20 0 GFADRO COc1cc(Br)ccc1CNC(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000868518645 662607919 /nfs/dbraw/zinc/60/79/19/662607919.db2.gz RPVSLMOQJDAOEC-HIFRSBDPSA-N 1 0 382.302 2.693 20 0 GFADRO CC(=O)N[C@@H](C(=O)N(C)[C@@H]1CC[N@@H+](C(C)C)C1)c1cccc(Br)c1 ZINC000868809277 662620315 /nfs/dbraw/zinc/62/03/15/662620315.db2.gz IGSQSMHFUMGVTP-IAGOWNOFSA-N 1 0 396.329 2.567 20 0 GFADRO C[NH+](C)C1(C)CCC(NC(=O)NCc2ncc(Br)s2)CC1 ZINC000869010465 662627052 /nfs/dbraw/zinc/62/70/52/662627052.db2.gz AYVMEJNRPPFNLE-UHFFFAOYSA-N 1 0 375.336 2.968 20 0 GFADRO CCC1([NH+](C)C)CCN(C(=O)NCc2ncc(Br)s2)CC1 ZINC000869196976 662634804 /nfs/dbraw/zinc/63/48/04/662634804.db2.gz VOYSLYULTHQSTB-UHFFFAOYSA-N 1 0 375.336 2.921 20 0 GFADRO C/C(=C\c1ccc(Br)o1)C(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000869299297 662640602 /nfs/dbraw/zinc/64/06/02/662640602.db2.gz PHBLMRPHQMZKRX-IEZBTEQYSA-N 1 0 383.286 2.503 20 0 GFADRO CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)Cc2c(Cl)cccc2Br)C1 ZINC000869776381 662661346 /nfs/dbraw/zinc/66/13/46/662661346.db2.gz FVKQEMGLSUANNY-NSHDSACASA-N 1 0 389.721 2.606 20 0 GFADRO CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)c2ccc(Br)c(Cl)c2F)C1 ZINC000869777230 662661412 /nfs/dbraw/zinc/66/14/12/662661412.db2.gz KREQCRDWMYNTHI-VIFPVBQESA-N 1 0 393.684 2.817 20 0 GFADRO CC(=O)N[C@H](C(=O)OCCCCC[NH+](C)C)c1cccc(Br)c1 ZINC000870216975 662678618 /nfs/dbraw/zinc/67/86/18/662678618.db2.gz AJOUUFMPELRTCB-INIZCTEOSA-N 1 0 385.302 2.901 20 0 GFADRO CCCC(=O)NC[C@H]1CCCN(C(=O)[C@@H]([NH3+])c2cccc(Br)c2)C1 ZINC000870878508 662704355 /nfs/dbraw/zinc/70/43/55/662704355.db2.gz MELQVYMWEOEZFG-DYVFJYSZSA-N 1 0 396.329 2.604 20 0 GFADRO C[C@@H]1CC[N@H+](CC(=O)Nc2ccc(N3CC[C@@H](CO)C3)c(Br)c2)C1 ZINC000870888504 662705473 /nfs/dbraw/zinc/70/54/73/662705473.db2.gz NLRZUWBLZSKGRQ-ZIAGYGMSSA-N 1 0 396.329 2.548 20 0 GFADRO [NH3+][C@H]1CC[C@H](C(=O)N2CCN(Cc3cc(Br)ccc3F)CC2)CC1 ZINC000870931317 662708790 /nfs/dbraw/zinc/70/87/90/662708790.db2.gz CVVJPVZABJQDJV-SAZUREKKSA-N 1 0 398.320 2.750 20 0 GFADRO O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(F)cc1I ZINC000870976042 662712152 /nfs/dbraw/zinc/71/21/52/662712152.db2.gz NFVGFKPNIWIRIS-YHPBZONMSA-N 1 0 388.224 2.691 20 0 GFADRO C[C@H](NC(=O)[C@H]1CCN(c2cc(Cl)ccc2Cl)C1=O)C1CC[NH2+]CC1 ZINC000870986778 662712165 /nfs/dbraw/zinc/71/21/65/662712165.db2.gz PFKHPWGAFWYRBD-SMDDNHRTSA-N 1 0 384.307 2.851 20 0 GFADRO Cn1nc2cc(Br)ccc2c1C(=O)N1CC[N@H+](C)C(C)(C)CC1 ZINC000871157077 662716789 /nfs/dbraw/zinc/71/67/89/662716789.db2.gz GFUYBJMJSGJGTH-UHFFFAOYSA-N 1 0 379.302 2.892 20 0 GFADRO CC(=O)N[C@H](c1nc([C@H]2CCC[NH2+]C2)no1)c1cccc(Br)c1 ZINC000871789987 662734106 /nfs/dbraw/zinc/73/41/06/662734106.db2.gz WGGWHRHNCHZGML-JSGCOSHPSA-N 1 0 379.258 2.525 20 0 GFADRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2csnc2-c2ccccc2)C[C@@H]1C(F)(F)F ZINC000871812843 662735073 /nfs/dbraw/zinc/73/50/73/662735073.db2.gz LPQPZBIMYKXABJ-NEPJUHHUSA-N 1 0 391.440 2.568 20 0 GFADRO CCC(=O)c1ccc(Cl)c(S(=O)(=O)N2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1 ZINC000871813425 662735234 /nfs/dbraw/zinc/73/52/34/662735234.db2.gz ILFMOYNVYOLRMY-QWRGUYRKSA-N 1 0 398.834 2.690 20 0 GFADRO CCC(=O)c1ccc(Cl)c(S(=O)(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)c1 ZINC000871813424 662735339 /nfs/dbraw/zinc/73/53/39/662735339.db2.gz ILFMOYNVYOLRMY-MNOVXSKESA-N 1 0 398.834 2.690 20 0 GFADRO [NH3+]C[C@H]1CN(S(=O)(=O)Cc2c(Cl)cccc2Cl)C[C@H]1C(F)(F)F ZINC000871814662 662735503 /nfs/dbraw/zinc/73/55/03/662735503.db2.gz WDPDISIOKBKJRW-WCBMZHEXSA-N 1 0 391.242 2.892 20 0 GFADRO [NH3+]C[C@H]1CN(S(=O)(=O)c2ccc(Cl)c(F)c2Cl)C[C@@H]1C(F)(F)F ZINC000871814083 662735541 /nfs/dbraw/zinc/73/55/41/662735541.db2.gz PCRFFVYGZOIAAD-BQBZGAKWSA-N 1 0 395.205 2.890 20 0 GFADRO C[NH+](C)[C@@H](CN1C(=O)N[C@@H](Cc2cncs2)C1=O)c1ccc(Cl)cc1 ZINC000871896668 662740364 /nfs/dbraw/zinc/74/03/64/662740364.db2.gz AVHNGSRWMRGXNB-GJZGRUSLSA-N 1 0 378.885 2.562 20 0 GFADRO C[N@@H+]1CCn2nc(N[C@@H]3CCN(c4ccc(Cl)cc4Cl)C3=O)cc2C1 ZINC000871927083 662742900 /nfs/dbraw/zinc/74/29/00/662742900.db2.gz PIVGCQQMIYVPHH-CQSZACIVSA-N 1 0 380.279 2.853 20 0 GFADRO O[C@@]1(Cn2ccc(C(F)(F)Br)n2)CC[N@H+](Cc2ccccc2)C1 ZINC000871986131 662749416 /nfs/dbraw/zinc/74/94/16/662749416.db2.gz CNJSLAMRIPYBAU-HNNXBMFYSA-N 1 0 386.240 2.964 20 0 GFADRO C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000872150757 662756839 /nfs/dbraw/zinc/75/68/39/662756839.db2.gz RPRFHXSBRGEWBR-XJFOESAGSA-N 1 0 375.460 2.869 20 0 GFADRO CC(C)[C@@H]([NH3+])c1noc(-c2cnn(C(C)C)c2I)n1 ZINC000872171300 662757426 /nfs/dbraw/zinc/75/74/26/662757426.db2.gz PNZXRQPRIORRGF-SECBINFHSA-N 1 0 375.214 2.774 20 0 GFADRO CC(C)(C)OC(=O)COCC[NH2+]C[C@H](O)c1ccc(F)c(Br)c1 ZINC000872220663 662758173 /nfs/dbraw/zinc/75/81/73/662758173.db2.gz RCDDTGWPESWSKY-AWEZNQCLSA-N 1 0 392.265 2.570 20 0 GFADRO O[C@H](C[NH2+]C[C@H]1CC2(CO1)CCOCC2)COc1cc(Cl)ccc1Cl ZINC000872229891 662758467 /nfs/dbraw/zinc/75/84/67/662758467.db2.gz CDWIHYJYQXMRMP-HUUCEWRRSA-N 1 0 390.307 2.908 20 0 GFADRO CC1([NH+]2CCCCC2)CCN(S(=O)(=O)c2cnc(Cl)c(F)c2)CC1 ZINC000872529957 662775390 /nfs/dbraw/zinc/77/53/90/662775390.db2.gz ONSGBOHOZFIGSI-UHFFFAOYSA-N 1 0 375.897 2.903 20 0 GFADRO COCC[NH+](CCOC)C1CCN(c2nc(SC)nc(Cl)c2F)CC1 ZINC000872545544 662776419 /nfs/dbraw/zinc/77/64/19/662776419.db2.gz IIARQYXJQJLDTO-UHFFFAOYSA-N 1 0 392.928 2.555 20 0 GFADRO CN1CC[NH+](C2CCN(Cn3nc(-c4cccs4)oc3=S)CC2)CC1 ZINC000872731933 662787055 /nfs/dbraw/zinc/78/70/55/662787055.db2.gz KJSSRNSAHXIKSL-UHFFFAOYSA-N 1 0 379.555 2.603 20 0 GFADRO Cc1cc(N2CC[C@H]([NH2+]Cc3cc(Br)c(C)s3)C2=O)n(C)n1 ZINC000873063587 662798092 /nfs/dbraw/zinc/79/80/92/662798092.db2.gz AGDUMEPNBVSJCB-ZDUSSCGKSA-N 1 0 383.315 2.756 20 0 GFADRO Cc1sc(C[NH2+][C@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)cc1Br ZINC000873066502 662798218 /nfs/dbraw/zinc/79/82/18/662798218.db2.gz VTJSNOXSBQFPDN-XPTSAGLGSA-N 1 0 383.315 2.836 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)Nc2cc(Cl)ccc2Cl)C[C@H]1C(F)(F)F ZINC000873104390 662799820 /nfs/dbraw/zinc/79/98/20/662799820.db2.gz MNADZWBHCOKFMD-VXNVDRBHSA-N 1 0 384.185 2.528 20 0 GFADRO Cn1c2ccccc2c(Br)c1C[NH2+]C[C@@H]1CCCCS1(=O)=O ZINC000873104503 662800027 /nfs/dbraw/zinc/80/00/27/662800027.db2.gz NMTBVXHVKJDRJO-LBPRGKRZSA-N 1 0 385.327 2.998 20 0 GFADRO CN(CCCCCC[NH3+])C(=O)C(=O)Nc1ccc(Br)c(C2CC2)n1 ZINC000873112701 662800352 /nfs/dbraw/zinc/80/03/52/662800352.db2.gz ZLMUPXNNHMMYMW-UHFFFAOYSA-N 1 0 397.317 2.638 20 0 GFADRO O=C1OCC[C@H]1CCC[NH2+]Cc1ccc(F)cc1I ZINC000873161018 662802096 /nfs/dbraw/zinc/80/20/96/662802096.db2.gz YFSTWDJGAMGUMG-SNVBAGLBSA-N 1 0 377.197 2.863 20 0 GFADRO [NH3+]C[C@H]1CN(Cc2cnc3ccc(Br)cn23)C[C@@H]1C(F)(F)F ZINC000873227743 662804144 /nfs/dbraw/zinc/80/41/44/662804144.db2.gz LRYXLWKDMYPKOP-CABZTGNLSA-N 1 0 377.208 2.666 20 0 GFADRO O=C(Nc1cc2c(cc1Br)OCCO2)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000873300597 662804962 /nfs/dbraw/zinc/80/49/62/662804962.db2.gz XZFSODJVJQEOFZ-GOEBONIOSA-N 1 0 382.258 2.626 20 0 GFADRO COC(=O)c1ccc(NC(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)cc1Cl ZINC000873309964 662805162 /nfs/dbraw/zinc/80/51/62/662805162.db2.gz ROMQMULAJWFHIG-KCJUWKMLSA-N 1 0 379.766 2.728 20 0 GFADRO COCCOc1ccc(Br)cc1NC(=O)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000873317738 662805304 /nfs/dbraw/zinc/80/53/04/662805304.db2.gz SEUVWFPGXABWAJ-DOTOQJQBSA-N 1 0 398.301 2.880 20 0 GFADRO Cc1cc(NC(=O)N2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cnc1Br ZINC000873317238 662805316 /nfs/dbraw/zinc/80/53/16/662805316.db2.gz IVPZKKABRGGPIP-WPRPVWTQSA-N 1 0 381.196 2.753 20 0 GFADRO Cc1cnc(Br)cc1NC(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000873319592 662805394 /nfs/dbraw/zinc/80/53/94/662805394.db2.gz LMUMNZKNGLXBNO-DTWKUNHWSA-N 1 0 381.196 2.753 20 0 GFADRO CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2cc(Cl)cc(Cl)c2F)C1 ZINC000873687572 662811894 /nfs/dbraw/zinc/81/18/94/662811894.db2.gz AAIXHEJRLXIQDW-JTQLQIEISA-N 1 0 376.259 2.919 20 0 GFADRO CCc1ccc(Br)c(NC(=O)C(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000873732138 662812791 /nfs/dbraw/zinc/81/27/91/662812791.db2.gz JPCFHANZEPNLLO-AAEUAGOBSA-N 1 0 382.302 2.549 20 0 GFADRO CCn1ncc(C(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)c1Br ZINC000873843500 662816023 /nfs/dbraw/zinc/81/60/23/662816023.db2.gz MYYWUKATFRYGSI-CQSZACIVSA-N 1 0 383.265 2.837 20 0 GFADRO O=C(NC1CC[NH+](Cc2ccccn2)CC1)c1csc(Br)n1 ZINC000874077017 662821807 /nfs/dbraw/zinc/82/18/07/662821807.db2.gz NEGSQCLLDNUWAJ-UHFFFAOYSA-N 1 0 381.299 2.695 20 0 GFADRO Cc1nc(NC(=O)C2(C[NH+](C)C)CC2)sc1C1N=NC(=S)N1C1CC1 ZINC000874089677 662822503 /nfs/dbraw/zinc/82/25/03/662822503.db2.gz IQYWFJUYKZHEHZ-UHFFFAOYSA-N 1 0 378.527 2.614 20 0 GFADRO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)c1cn(-c2ccc(Br)cc2)cn1 ZINC000874835207 662837917 /nfs/dbraw/zinc/83/79/17/662837917.db2.gz XKNAYNJSLZMGLR-IRXDYDNUSA-N 1 0 389.297 2.944 20 0 GFADRO Cc1ccc(C(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3C)cc1I ZINC000874837644 662837958 /nfs/dbraw/zinc/83/79/58/662837958.db2.gz IUMNBLKRKCHOMW-HUUCEWRRSA-N 1 0 384.261 2.908 20 0 GFADRO C[N@@H+]1CCC[C@H]2[C@H]1CCN2C(=O)c1c(F)cccc1I ZINC000874840056 662838096 /nfs/dbraw/zinc/83/80/96/662838096.db2.gz ZUGKWAXWURIBKN-OLZOCXBDSA-N 1 0 388.224 2.739 20 0 GFADRO Cc1ccc(NC(=O)[C@H]2CC[N@@H+](C)C[C@@H]2c2cnn(C)c2)c(Br)n1 ZINC000875474104 662846583 /nfs/dbraw/zinc/84/65/83/662846583.db2.gz NKFSCYFHRAHQFZ-UONOGXRCSA-N 1 0 392.301 2.560 20 0 GFADRO CSC1(CNC(=O)N2CC[C@H](C(F)(F)F)O[C@@H](C)C2)CC[NH+](C)CC1 ZINC000875597436 662848628 /nfs/dbraw/zinc/84/86/28/662848628.db2.gz JMOZEMXGZJBDRZ-QWHCGFSZSA-N 1 0 383.480 2.565 20 0 GFADRO COC[C@]1(C(=O)Nc2ccc(Sc3nc(C)cs3)cc2)C[NH2+]CCO1 ZINC000876599471 662863192 /nfs/dbraw/zinc/86/31/92/662863192.db2.gz BPHZNLNLQULHLJ-KRWDZBQOSA-N 1 0 379.507 2.546 20 0 GFADRO COC(=O)C[C@H](NC(=O)[C@]12CCC[C@H]1[NH2+]CC2)c1ccc(Br)cc1 ZINC000876595740 662863233 /nfs/dbraw/zinc/86/32/33/662863233.db2.gz JSJYWRLMQIRWDL-DAYGRLMNSA-N 1 0 395.297 2.702 20 0 GFADRO O=C(NCC1(c2cccc(Br)c2)CCOCC1)[C@H](F)[C@@H]1CC[NH2+]C1 ZINC000876606810 662863297 /nfs/dbraw/zinc/86/32/97/662863297.db2.gz LECOYZVBOGGGLZ-CZUORRHYSA-N 1 0 399.304 2.561 20 0 GFADRO COc1ccc(I)c(NC(=O)[C@]23CCC[C@H]2[NH2+]CC3)c1 ZINC000876626843 662863641 /nfs/dbraw/zinc/86/36/41/662863641.db2.gz JYSAYCMUISMFPP-HIFRSBDPSA-N 1 0 386.233 2.771 20 0 GFADRO C[C@H](CNC(=O)c1c(C[NH3+])cnn1C)Sc1ccc(Br)cc1 ZINC000876658424 662864501 /nfs/dbraw/zinc/86/45/01/662864501.db2.gz VWGNPMMXOHRSJO-SNVBAGLBSA-N 1 0 383.315 2.552 20 0 GFADRO COc1cccc(C[C@H]([NH3+])C(=O)NC[C@H](O)c2cc(Cl)cc(Cl)c2)c1 ZINC000876670346 662864527 /nfs/dbraw/zinc/86/45/27/662864527.db2.gz BTRKRMDJYSGFMQ-IRXDYDNUSA-N 1 0 383.275 2.722 20 0 GFADRO COc1cccc(C[C@@H]([NH3+])C(=O)NC[C@@H](O)c2c(Cl)cccc2Cl)c1 ZINC000876677837 662864670 /nfs/dbraw/zinc/86/46/70/662864670.db2.gz WCBYFFXHQLXDAY-HZPDHXFCSA-N 1 0 383.275 2.722 20 0 GFADRO C[C@H]([C@@H](C)S(C)(=O)=O)[N@H+](C)C[C@H]1CCCCN(C(=O)OC(C)(C)C)C1 ZINC000876738683 662865754 /nfs/dbraw/zinc/86/57/54/662865754.db2.gz JWFVUGANOCTAGC-BZUAXINKSA-N 1 0 376.563 2.777 20 0 GFADRO CCC(CC)(CNC(=O)OC(C)(C)C)C[N@H+](C)C[C@H]1CCS(=O)(=O)C1 ZINC000876757129 662865844 /nfs/dbraw/zinc/86/58/44/662865844.db2.gz CUYGUOCCGCJHBS-OAHLLOKOSA-N 1 0 376.563 2.684 20 0 GFADRO CCC(CC)(CNC(=O)OC(C)(C)C)C[NH+]1CCC(S(C)(=O)=O)CC1 ZINC000876765445 662866003 /nfs/dbraw/zinc/86/60/03/662866003.db2.gz WUTIDLNAPWYYGW-UHFFFAOYSA-N 1 0 376.563 2.827 20 0 GFADRO COC(=O)[C@H]1C[NH2+]CCCN1C(=O)c1ccc2ccc(Br)cc2c1 ZINC000876847335 662867341 /nfs/dbraw/zinc/86/73/41/662867341.db2.gz IHMQCJZFKMMUAE-MRXNPFEDSA-N 1 0 391.265 2.579 20 0 GFADRO [NH3+][C@@H]1CCO[C@@H](C2CCN(C(=O)C(=O)c3cc(Cl)cc(Cl)c3)CC2)C1 ZINC000876921246 662868097 /nfs/dbraw/zinc/86/80/97/662868097.db2.gz MYWYHHNLBMBIJT-HZPDHXFCSA-N 1 0 385.291 2.921 20 0 GFADRO O=C([C@@H]1C[NH2+]C[C@H]1c1ccc(Cl)cc1)N1CCSC2(CCOCC2)C1 ZINC000876942991 662868466 /nfs/dbraw/zinc/86/84/66/662868466.db2.gz LKHQNXOKXVFJRH-DLBZAZTESA-N 1 0 380.941 2.768 20 0 GFADRO [NH3+][C@H](C(=O)N1CCSC2(CCOCC2)C1)c1cccc(Br)c1 ZINC000876942779 662868492 /nfs/dbraw/zinc/86/84/92/662868492.db2.gz FFZRHXNWDNHXRY-AWEZNQCLSA-N 1 0 385.327 2.574 20 0 GFADRO C[C@]12CCN(C(=O)[C@H]3CC[C@H]([NH3+])CC3)C[C@H]1C2(Br)Br ZINC000876959254 662868644 /nfs/dbraw/zinc/86/86/44/662868644.db2.gz QXKFZTVOBAYXQN-UZWSLXQKSA-N 1 0 394.151 2.858 20 0 GFADRO [NH3+][C@H](C(=O)N1CCO[C@H](CC(F)(F)F)C1)c1cccc(Br)c1 ZINC000876978247 662868988 /nfs/dbraw/zinc/86/89/88/662868988.db2.gz HTWPYEAGPXEUSL-NEPJUHHUSA-N 1 0 381.192 2.629 20 0 GFADRO CCO[P@@](C)(=O)CC[C@@H](C)[NH2+]CCNS(=O)(=O)c1ccc(C)cc1 ZINC000876980155 662869113 /nfs/dbraw/zinc/86/91/13/662869113.db2.gz YKLHGALNLWZYHL-IQMFZBJNSA-N 1 0 376.459 2.586 20 0 GFADRO Cc1cc([C@H]([NH3+])CC(=O)NC[C@@H](n2cccn2)C(F)(F)F)cc(Cl)n1 ZINC000876991104 662869359 /nfs/dbraw/zinc/86/93/59/662869359.db2.gz HFVMGHPOVLLALW-VXGBXAGGSA-N 1 0 375.782 2.550 20 0 GFADRO O=C(N[C@@H]1C[NH2+]C[C@H]1c1ccccc1)c1sc(N2CCCC2)nc1Cl ZINC000877009214 662869567 /nfs/dbraw/zinc/86/95/67/662869567.db2.gz IYGZBOXRLYONMV-UONOGXRCSA-N 1 0 376.913 2.882 20 0 GFADRO CCN1CC[NH+](C[C@@H](C)CNCc2nc(Cl)ccc2Br)CC1 ZINC000877015756 662869689 /nfs/dbraw/zinc/86/96/89/662869689.db2.gz BIQKGERBKAIZGX-ZDUSSCGKSA-N 1 0 389.769 2.861 20 0 GFADRO C[NH2+]CCOCCN(C)C(=O)c1ccc(OC(F)(F)F)cc1Br ZINC000877029420 662869982 /nfs/dbraw/zinc/86/99/82/662869982.db2.gz BRJWXYDNAATSHJ-UHFFFAOYSA-N 1 0 399.207 2.656 20 0 GFADRO CC(=O)N(c1nc(CNCCC[S@@](C)=O)cs1)c1ccc(F)cc1F ZINC000877051101 662870227 /nfs/dbraw/zinc/87/02/27/662870227.db2.gz HGMWDRDRIYTZDX-RUZDIDTESA-N 1 0 387.477 2.964 20 0 GFADRO O[C@H]1CCC[C@@H]1[NH+]1CCC(NCc2nc(Cl)ccc2Br)CC1 ZINC000877089590 662870953 /nfs/dbraw/zinc/87/09/53/662870953.db2.gz OKQRHYSCSPWNGR-GJZGRUSLSA-N 1 0 388.737 2.965 20 0 GFADRO Cc1cc(COc2ccc(C(=O)N(C)C[C@H](C)[NH3+])cc2Br)no1 ZINC000877098780 662870985 /nfs/dbraw/zinc/87/09/85/662870985.db2.gz FWTCFKOIISUUQI-JTQLQIEISA-N 1 0 382.258 2.744 20 0 GFADRO Cc1ccc(S(=O)(=O)NCC[NH2+]Cc2cc3c(ccnc3Cl)o2)s1 ZINC000877116918 662871311 /nfs/dbraw/zinc/87/13/11/662871311.db2.gz ZDNVFFOOAHVUDZ-UHFFFAOYSA-N 1 0 385.898 2.919 20 0 GFADRO Brc1cnc2c(C[NH2+]C[C@@H]3COC4(CCCCC4)O3)cnn2c1 ZINC000877136888 662871523 /nfs/dbraw/zinc/87/15/23/662871523.db2.gz OKSAOINFPHZDGZ-CQSZACIVSA-N 1 0 381.274 2.657 20 0 GFADRO O=C(c1ccc(-n2cc(Br)cn2)cc1)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000877285571 662873245 /nfs/dbraw/zinc/87/32/45/662873245.db2.gz VKZJIELTHREZBM-CVEARBPZSA-N 1 0 375.270 2.601 20 0 GFADRO Cc1ccc(-n2nc(Br)cc2C(=O)N[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC000877292619 662873304 /nfs/dbraw/zinc/87/33/04/662873304.db2.gz QZZVQDCOJIJTLV-JOCQHMNTSA-N 1 0 377.286 2.943 20 0 GFADRO O=C(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)[C@H]1CCc2cc(Br)ccc21 ZINC000877328380 662873609 /nfs/dbraw/zinc/87/36/09/662873609.db2.gz FVZDWUJVJJVTQZ-RDJZCZTQSA-N 1 0 393.325 2.754 20 0 GFADRO O=C(NC[C@H]1CC2(CO1)CC[NH2+]CC2)c1c(Cl)cccc1Br ZINC000877328136 662873615 /nfs/dbraw/zinc/87/36/15/662873615.db2.gz HLBFRGHBWXVOJW-LLVKDONJSA-N 1 0 387.705 2.991 20 0 GFADRO O=C(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)c1ccc(SC(F)(F)F)nc1 ZINC000877327493 662873619 /nfs/dbraw/zinc/87/36/19/662873619.db2.gz ULSWVJYZWIXYPQ-LBPRGKRZSA-N 1 0 375.416 2.582 20 0 GFADRO CC(C)(C)n1cc(Br)c(C(=O)NC[C@H]2Cc3ccccc3C[NH2+]2)n1 ZINC000877341031 662873926 /nfs/dbraw/zinc/87/39/26/662873926.db2.gz SZSWZAXNMNEBOB-CQSZACIVSA-N 1 0 391.313 2.845 20 0 GFADRO COc1ccc(Cl)cc1NCCC(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000877361303 662874561 /nfs/dbraw/zinc/87/45/61/662874561.db2.gz RKNXGPRWBFFYNT-JQWIXIFHSA-N 1 0 379.810 2.746 20 0 GFADRO C[C@H](Oc1cccc(Br)c1)C(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000877363413 662874607 /nfs/dbraw/zinc/87/46/07/662874607.db2.gz DMDPZGVAIPSPSV-OPQQBVKSSA-N 1 0 395.219 2.812 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)CCc2ccccc2Br)C[C@H]1C(F)(F)F ZINC000877365923 662874755 /nfs/dbraw/zinc/87/47/55/662874755.db2.gz HAGROOKQVRTZTG-VXGBXAGGSA-N 1 0 379.220 2.977 20 0 GFADRO CC(C)n1ncc(C(=O)N(C)CCCCCC[NH3+])c1I ZINC000877435370 662876053 /nfs/dbraw/zinc/87/60/53/662876053.db2.gz RCAFXWHDPFTOPO-UHFFFAOYSA-N 1 0 392.285 2.660 20 0 GFADRO CCO[P@](C)(=O)CC[C@@H](C)[NH2+]C1CCN(S(=O)(=O)C(C)(C)C)CC1 ZINC000877475183 662876596 /nfs/dbraw/zinc/87/65/96/662876596.db2.gz DHVPVWVAZJPQRT-FATZIPQQSA-N 1 0 382.507 2.892 20 0 GFADRO C[NH+](C)CCCCNS(=O)(=O)c1cccc(NC[C@H]2CC2(Cl)Cl)c1 ZINC000877513547 662877647 /nfs/dbraw/zinc/87/76/47/662877647.db2.gz YHVDVCMYCZJIBS-CYBMUJFWSA-N 1 0 394.368 2.912 20 0 GFADRO Cc1sc(C[N@@H+]2CCC[C@H]2C[C@]2(C)NC(=O)NC2=O)cc1Br ZINC000877519746 662877973 /nfs/dbraw/zinc/87/79/73/662877973.db2.gz YWQIORVZZBTGSJ-BONVTDFDSA-N 1 0 386.315 2.772 20 0 GFADRO Cn1cc(Br)c(CNCC(C)(C)CNC(=O)OC(C)(C)C)n1 ZINC000877564531 662878920 /nfs/dbraw/zinc/87/89/20/662878920.db2.gz DOUXPCMHRBKARC-UHFFFAOYSA-N 1 0 375.311 2.823 20 0 GFADRO COC(=O)c1ccc(C[N@H+](C[C@@H]2CCC(=O)N2)C(C)C)cc1Br ZINC000877591534 662879608 /nfs/dbraw/zinc/87/96/08/662879608.db2.gz FFOHSZYZCGWPMX-ZDUSSCGKSA-N 1 0 383.286 2.725 20 0 GFADRO CCN(OC)C(=O)C[NH2+][C@H]1CCN(C)[C@H](c2ccc(Br)cc2)C1 ZINC000877607997 662879834 /nfs/dbraw/zinc/87/98/34/662879834.db2.gz OISZGVBIHBUMPK-HOTGVXAUSA-N 1 0 384.318 2.584 20 0 GFADRO COC(=O)c1ccc(C[NH2+]C[C@@H]2CC(=O)N(C(C)(C)C)C2)cc1Br ZINC000877635663 662880469 /nfs/dbraw/zinc/88/04/69/662880469.db2.gz ASQQPCUXRNTLDG-ZDUSSCGKSA-N 1 0 397.313 2.972 20 0 GFADRO O=S(=O)(N[C@@H]1CCCC[C@H]1[NH2+]Cc1cc2c(ccnc2Cl)o1)C1CC1 ZINC000877701667 662882267 /nfs/dbraw/zinc/88/22/67/662882267.db2.gz TYBXAKLRFZEQTF-HUUCEWRRSA-N 1 0 383.901 2.964 20 0 GFADRO C[N@@H+]1CC[C@H]2CN(C(=O)Nc3cc4c(cc3Br)OCCO4)CC[C@@H]21 ZINC000878007384 662887979 /nfs/dbraw/zinc/88/79/79/662887979.db2.gz DJHBEHBPNXKOFI-FZMZJTMJSA-N 1 0 396.285 2.778 20 0 GFADRO COC(=O)[C@H](C)C[N@@H+](Cc1ccccc1)C[C@@H](O)c1cc(Br)no1 ZINC000878035796 662888652 /nfs/dbraw/zinc/88/86/52/662888652.db2.gz DTKCMLAMMXVNNB-TZMCWYRMSA-N 1 0 397.269 2.782 20 0 GFADRO C[NH+]1CCC(NC(=O)CN2CCC[C@H]2c2ccccc2Br)CC1 ZINC000878184436 662891357 /nfs/dbraw/zinc/89/13/57/662891357.db2.gz WCCIMIUYRRUZMR-KRWDZBQOSA-N 1 0 380.330 2.796 20 0 GFADRO Cc1nc(CN(C)[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)sc1Br ZINC000878314748 662893748 /nfs/dbraw/zinc/89/37/48/662893748.db2.gz UBNABEWKWLGKBB-CQSZACIVSA-N 1 0 387.391 2.814 20 0 GFADRO C[N@H+](C[C@H](O)CC1(CO)CCCC1)[C@@H](CO)c1cccc(Br)c1 ZINC000878328476 662893958 /nfs/dbraw/zinc/89/39/58/662893958.db2.gz JCIRBHXCIWGOBK-SJORKVTESA-N 1 0 386.330 2.718 20 0 GFADRO COC(=O)CC[N@@H+]1CCN(C[C@@H](O)c2ccc(Cl)c(Cl)c2)[C@H](C)C1 ZINC000878374719 662894756 /nfs/dbraw/zinc/89/47/56/662894756.db2.gz UPVYISKLGPCGDT-MLGOLLRUSA-N 1 0 375.296 2.596 20 0 GFADRO Cc1noc(C[C@H]([NH2+]C[C@H](O)c2cc(Br)no2)c2ccccc2)n1 ZINC000878511858 662897931 /nfs/dbraw/zinc/89/79/31/662897931.db2.gz HWQYRZBIRBTLGU-STQMWFEESA-N 1 0 393.241 2.736 20 0 GFADRO CN(CC[N@H+](C)CC[C@H]1CCCC1(F)F)c1ccc(S(N)(=O)=O)cc1 ZINC000878665507 662902045 /nfs/dbraw/zinc/90/20/45/662902045.db2.gz ITALLAVSEUPGLQ-CQSZACIVSA-N 1 0 375.485 2.528 20 0 GFADRO C[N@H+](C[C@H](O)C[C@H](O)c1ccccc1)C[C@H](O)c1ccccc1Br ZINC000878692042 662902671 /nfs/dbraw/zinc/90/26/71/662902671.db2.gz VCCUZZOSKLRDRA-MNEFBYGVSA-N 1 0 394.309 2.899 20 0 GFADRO CCO[C@@H]1C[C@@H]([NH2+][C@H](C)C(=O)Nc2c(C)csc2C(=O)OC)[C@@H]1SC ZINC000878765433 662904677 /nfs/dbraw/zinc/90/46/77/662904677.db2.gz NKZLFBBGRJNRRR-BYNQJWBRSA-N 1 0 386.539 2.669 20 0 GFADRO OC[C@@H]([NH2+]C[C@H](O)c1cc(Br)no1)c1cccc(C(F)(F)F)c1 ZINC000879114139 662917566 /nfs/dbraw/zinc/91/75/66/662917566.db2.gz HITIOXVTCQMBTC-MNOVXSKESA-N 1 0 395.175 2.813 20 0 GFADRO COc1cc(NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)ncc1Br ZINC000879169059 662919032 /nfs/dbraw/zinc/91/90/32/662919032.db2.gz GZTQHNCFVAZDDW-FOSCPWQOSA-N 1 0 383.290 2.942 20 0 GFADRO COc1cc(NC(=O)N2CCC(C)([NH+]3CCC3)CC2)ncc1Br ZINC000879170910 662919140 /nfs/dbraw/zinc/91/91/40/662919140.db2.gz YTMRAVVTXACVLY-UHFFFAOYSA-N 1 0 383.290 2.945 20 0 GFADRO NC(=O)Cc1cccc2c1CC[N@H+](C[C@@H](O)c1ccc(Br)cc1)C2 ZINC000879231309 662921356 /nfs/dbraw/zinc/92/13/56/662921356.db2.gz VJXIJPKBUDOTAV-GOSISDBHSA-N 1 0 389.293 2.569 20 0 GFADRO O=c1cc(C[N@@H+]2CC[C@@H]3CSC[C@H]3C2)nc2ccc(Br)cn12 ZINC000879561832 662929537 /nfs/dbraw/zinc/92/95/37/662929537.db2.gz VOHOHAVOFPOKQP-VXGBXAGGSA-N 1 0 380.311 2.642 20 0 GFADRO Cn1nc(Br)cc1NC(=O)N1CC[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC000879643687 662933047 /nfs/dbraw/zinc/93/30/47/662933047.db2.gz VBYCKMXEJUFHMV-AWEZNQCLSA-N 1 0 392.301 2.921 20 0 GFADRO C[C@@]1(Cc2ccc(F)c(Cl)c2)CCC[N@@H+]1CC1(O)CCS(=O)(=O)CC1 ZINC000879645569 662933758 /nfs/dbraw/zinc/93/37/58/662933758.db2.gz XOMVSGBOTQCKNA-KRWDZBQOSA-N 1 0 389.920 2.816 20 0 GFADRO CCS(=O)(=O)CC[N@@H+]1CC[C@](CNC(=O)OC(C)(C)C)(C(C)(C)C)C1 ZINC000879653726 662934195 /nfs/dbraw/zinc/93/41/95/662934195.db2.gz USYKUDCDNFOFTP-GOSISDBHSA-N 1 0 376.563 2.684 20 0 GFADRO OCC1(C[C@@H](O)C[NH2+][C@@]2(c3ccc(Br)cc3)C[C@@H](O)C2)CCCC1 ZINC000880221309 662955377 /nfs/dbraw/zinc/95/53/77/662955377.db2.gz DFVVVWGDQSBWEZ-LMMKCTJWSA-N 1 0 398.341 2.692 20 0 GFADRO NC(=O)C1([NH+]2CCCCC2)CCN(Cc2cccc(Br)c2)CC1 ZINC000880251669 662956636 /nfs/dbraw/zinc/95/66/36/662956636.db2.gz QHBCBFOPQWNAOI-UHFFFAOYSA-N 1 0 380.330 2.755 20 0 GFADRO C[NH+](C)[C@H](CNc1ccc2nnc(Br)n2n1)c1cccc(F)c1 ZINC000881755676 663001773 /nfs/dbraw/zinc/00/17/73/663001773.db2.gz FXAOLRLVUPRSEV-GFCCVEGCSA-N 1 0 379.237 2.741 20 0 GFADRO CN(c1ccc(OCC[NH+](C)C)cc1)S(=O)(=O)CC[C@H]1CC1(Cl)Cl ZINC000881878633 663007652 /nfs/dbraw/zinc/00/76/52/663007652.db2.gz JMZCGOWDVHLHLM-ZDUSSCGKSA-N 1 0 395.352 2.977 20 0 GFADRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)S(=O)(=O)c1cnc(Cl)cc1C(F)(F)F ZINC000881933244 663010361 /nfs/dbraw/zinc/01/03/61/663010361.db2.gz PUIUHSRSZMCEDX-KOLCDFICSA-N 1 0 385.839 2.715 20 0 GFADRO CC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2cnc(Cl)cc2C(F)(F)F)C1 ZINC000881954048 663010816 /nfs/dbraw/zinc/01/08/16/663010816.db2.gz PMTPYWABOAPPJP-JTQLQIEISA-N 1 0 385.839 2.716 20 0 GFADRO COCC[N@H+](C)CCCNC(=O)N(C)Cc1cscc1Br ZINC000883139578 663050352 /nfs/dbraw/zinc/05/03/52/663050352.db2.gz RJEVQCQQRHNWLR-UHFFFAOYSA-N 1 0 378.336 2.620 20 0 GFADRO COc1cc(Br)c(C[NH2+]CC[C@H]2CCCS2(=O)=O)cc1OC ZINC000883301147 663053132 /nfs/dbraw/zinc/05/31/32/663053132.db2.gz REXQWEIIXJYDOI-GFCCVEGCSA-N 1 0 392.315 2.523 20 0 GFADRO CC(C)(C)OC(=O)N1CCC(C[NH2+]C[C@@H](O)C(F)(F)C(F)(F)F)CC1 ZINC000883367528 663054069 /nfs/dbraw/zinc/05/40/69/663054069.db2.gz RHKQYDJZIOGYMT-LLVKDONJSA-N 1 0 376.366 2.782 20 0 GFADRO C[C@@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+][C@H]1C[C@H](S(C)(=O)=O)C1 ZINC000883373162 663054075 /nfs/dbraw/zinc/05/40/75/663054075.db2.gz CNIJVQPSHDCPNV-BPNCWPANSA-N 1 0 378.416 2.588 20 0 GFADRO CCC(=O)N1CCC([NH2+][C@H]2CCc3cc(Br)ccc3NC2=O)CC1 ZINC000883377160 663054230 /nfs/dbraw/zinc/05/42/30/663054230.db2.gz AKFDLSFGSAFRGV-INIZCTEOSA-N 1 0 394.313 2.693 20 0 GFADRO CS(=O)(=O)[C@H]1C[C@H]([NH2+][C@H](c2ccc(Br)cc2)[C@H]2CCCO2)C1 ZINC000883375024 663054274 /nfs/dbraw/zinc/05/42/74/663054274.db2.gz ZSRMXSSCNBHXHV-KLHDSHLOSA-N 1 0 388.327 2.834 20 0 GFADRO CC[C@H](C)Oc1cccc(S(=O)(=O)N2CCc3sc(C[NH3+])nc3C2)c1 ZINC000883480988 663055959 /nfs/dbraw/zinc/05/59/59/663055959.db2.gz UCIQPOGMMJOQFA-LBPRGKRZSA-N 1 0 381.523 2.526 20 0 GFADRO CCC1([NH3+])CCN(C(=O)Nc2cc3c(cc2Br)OCCO3)CC1 ZINC000883523913 663056711 /nfs/dbraw/zinc/05/67/11/663056711.db2.gz IJPBNLKBJTZQEO-UHFFFAOYSA-N 1 0 384.274 2.956 20 0 GFADRO Cc1c(Cl)cc(NC(=O)C(=O)N2CCc3sc(C[NH3+])nc3C2)cc1Cl ZINC000883621981 663058137 /nfs/dbraw/zinc/05/81/37/663058137.db2.gz DSBUFOHYKDYMPY-UHFFFAOYSA-N 1 0 399.303 2.740 20 0 GFADRO CCC1([NH3+])CCN(C(=O)C(=O)Nc2ccccc2SC(F)(F)F)CC1 ZINC000883629280 663058358 /nfs/dbraw/zinc/05/83/58/663058358.db2.gz PGYQBGFJUPWFLQ-UHFFFAOYSA-N 1 0 375.416 2.967 20 0 GFADRO O=C(NCCSCCC(F)(F)F)N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000883803455 663061078 /nfs/dbraw/zinc/06/10/78/663061078.db2.gz GBDOAOUOTSUEDJ-AWEZNQCLSA-N 1 0 383.480 2.615 20 0 GFADRO [NH3+][C@@H](C(=O)NC[C@@H]1COc2ccccc2C1)c1ccc(Br)cc1 ZINC000884060130 663064360 /nfs/dbraw/zinc/06/43/60/663064360.db2.gz PIVUNRFGHLGJNG-SJKOYZFVSA-N 1 0 375.266 2.816 20 0 GFADRO CCCCNC(=O)C1CCN(C(=O)[C@H]([NH3+])c2ccc(Br)cc2)CC1 ZINC000884082378 663064642 /nfs/dbraw/zinc/06/46/42/663064642.db2.gz DVGBFXQXYOJDMW-MRXNPFEDSA-N 1 0 396.329 2.604 20 0 GFADRO COCCOc1ccccc1CNC(=O)[C@@H]([NH3+])c1ccc(Br)cc1 ZINC000884099827 663065076 /nfs/dbraw/zinc/06/50/76/663065076.db2.gz ZWUNGNJIHGXKKA-KRWDZBQOSA-N 1 0 393.281 2.791 20 0 GFADRO C[NH+]1CCN(c2ncccc2CNC(=O)NCc2cscc2Cl)CC1 ZINC000884098344 663065085 /nfs/dbraw/zinc/06/50/85/663065085.db2.gz HWGCCLJOSDWLRY-UHFFFAOYSA-N 1 0 379.917 2.548 20 0 GFADRO COc1ccc(Br)c(NC(=O)c2ccnc(N3CC[NH2+]CC3)c2)c1 ZINC000884105369 663065174 /nfs/dbraw/zinc/06/51/74/663065174.db2.gz MKTZIVWGKDFQKH-UHFFFAOYSA-N 1 0 391.269 2.515 20 0 GFADRO [NH3+][C@H](C(=O)N1CCC(OC[C@@H]2CCCO2)CC1)c1ccc(Br)cc1 ZINC000884111068 663065380 /nfs/dbraw/zinc/06/53/80/663065380.db2.gz AVVPJEAQHWKRCR-IRXDYDNUSA-N 1 0 397.313 2.636 20 0 GFADRO CCN(CC)C(=O)C1CCN(C(=O)[C@@H]([NH3+])c2ccc(Br)cc2)CC1 ZINC000884109519 663065402 /nfs/dbraw/zinc/06/54/02/663065402.db2.gz JBBAYNFZADLQAW-INIZCTEOSA-N 1 0 396.329 2.556 20 0 GFADRO COCC[C@H]([NH3+])C(=O)Nc1nc(-c2cc(Br)cs2)cs1 ZINC000884137458 663065903 /nfs/dbraw/zinc/06/59/03/663065903.db2.gz NAJUYPWOMUTYCP-QMMMGPOBSA-N 1 0 376.301 2.936 20 0 GFADRO Cc1csc(N2CCN(C(=O)[C@@H]([NH3+])c3ccc(Br)cc3)CC2)n1 ZINC000884189941 663066883 /nfs/dbraw/zinc/06/68/83/663066883.db2.gz QDIQDBVFKWDZBA-AWEZNQCLSA-N 1 0 395.326 2.563 20 0 GFADRO O=C(COCCc1ccc(Br)cc1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000884287668 663068245 /nfs/dbraw/zinc/06/82/45/663068245.db2.gz IPJPJUXKOJTXFM-SFHVURJKSA-N 1 0 381.314 2.610 20 0 GFADRO O=C(c1ccc(OC(F)F)c(Br)c1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000884293363 663068291 /nfs/dbraw/zinc/06/82/91/663068291.db2.gz BICAQRBPUMZTQH-CMPLNLGQSA-N 1 0 375.213 2.875 20 0 GFADRO [NH3+][C@H](C(=O)NCc1cccc2c1OCCCO2)c1ccc(Br)cc1 ZINC000884308106 663068603 /nfs/dbraw/zinc/06/86/03/663068603.db2.gz FOJUMQXKAMAHPG-INIZCTEOSA-N 1 0 391.265 2.927 20 0 GFADRO CC1(C)[C@H]([NH3+])C[C@@H]1NC(=O)CCC[S@@](=O)c1ccc(Br)cc1 ZINC000884355962 663069588 /nfs/dbraw/zinc/06/95/88/663069588.db2.gz VEUVVWYEITZDCX-ALLJEULLSA-N 1 0 387.343 2.579 20 0 GFADRO C[C@H]1C[C@@H]([NH3+])CCN1C(=O)c1cc(Br)nn1-c1ncccc1Cl ZINC000884390508 663070076 /nfs/dbraw/zinc/07/00/76/663070076.db2.gz XVICNLLAVAMGEY-UWVGGRQHSA-N 1 0 398.692 2.635 20 0 GFADRO O=S(=O)(/C=C/c1ccccc1Br)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000884950186 663079246 /nfs/dbraw/zinc/07/92/46/663079246.db2.gz LXZPFPPKUBGJPV-LMSYVIICSA-N 1 0 385.327 2.966 20 0 GFADRO O=S(=O)(/C=C/c1cccc(Br)c1)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000884951050 663079339 /nfs/dbraw/zinc/07/93/39/663079339.db2.gz WXKQTKNSKSKROJ-XKQHDHNFSA-N 1 0 385.327 2.966 20 0 GFADRO O=S(=O)(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1cc2ccc(Cl)nc2cc1F ZINC000884952482 663079443 /nfs/dbraw/zinc/07/94/43/663079443.db2.gz OBVRWHYWCIRNBV-STQMWFEESA-N 1 0 383.876 2.932 20 0 GFADRO C[C@H](Cc1ccc(Br)cc1)C(=O)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000885875046 663099845 /nfs/dbraw/zinc/09/98/45/663099845.db2.gz DSWYZQFXHZOXHJ-KDOFPFPSSA-N 1 0 395.341 2.997 20 0 GFADRO Cc1cc(Br)ccc1CC(=O)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000885880676 663100169 /nfs/dbraw/zinc/10/01/69/663100169.db2.gz WKPYGXLFGGRCEG-KRWDZBQOSA-N 1 0 381.314 2.670 20 0 GFADRO Cc1ccc(CC(=O)NC[C@@H]2CC[N@@H+]2C2CCOCC2)cc1Br ZINC000885880528 663100245 /nfs/dbraw/zinc/10/02/45/663100245.db2.gz SNUNDYISUWVCIM-INIZCTEOSA-N 1 0 381.314 2.670 20 0 GFADRO Cc1c(F)c(Br)ccc1C(=O)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000885892007 663100704 /nfs/dbraw/zinc/10/07/04/663100704.db2.gz ZFYFCNOUYUOYOA-CYBMUJFWSA-N 1 0 385.277 2.880 20 0 GFADRO Cc1cccc(CC(=O)NC[C@@H]2CC[N@@H+]2C2CCOCC2)c1Br ZINC000885892871 663100753 /nfs/dbraw/zinc/10/07/53/663100753.db2.gz FIZDFTWTGQEGHA-INIZCTEOSA-N 1 0 381.314 2.670 20 0 GFADRO C[C@@H]([NH2+]C[C@@](C)(O)C(F)F)c1ccc(Br)cc1OCCCO ZINC000886213514 663104931 /nfs/dbraw/zinc/10/49/31/663104931.db2.gz UYYWYFINTBNAAJ-MEBBXXQBSA-N 1 0 382.245 2.877 20 0 GFADRO OC[C@H](C[C@@H]1CCCO1)[NH2+]Cc1c(F)ccc(I)c1F ZINC000886223042 663105177 /nfs/dbraw/zinc/10/51/77/663105177.db2.gz FMSIMLOGDLTIFD-UWVGGRQHSA-N 1 0 397.203 2.589 20 0 GFADRO OC[C@@H](C[C@H]1CCCO1)[NH2+]Cc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000886228552 663105360 /nfs/dbraw/zinc/10/53/60/663105360.db2.gz AXYJDQXKGUUGEA-HUUCEWRRSA-N 1 0 380.286 2.859 20 0 GFADRO COc1nsc(C[NH2+]C[C@@H]2CC[C@]3(CO[C@H](C)[C@H]3C)O2)c1Br ZINC000886335991 663108514 /nfs/dbraw/zinc/10/85/14/663108514.db2.gz LAGDXJKVORHDPO-YYHMBLRTSA-N 1 0 391.331 2.976 20 0 GFADRO COC[C@H]([NH2+]Cc1ccccc1I)[C@@H]1CCCOC1 ZINC000886359572 663108969 /nfs/dbraw/zinc/10/89/69/663108969.db2.gz FRBVVKMHWIMUHN-HIFRSBDPSA-N 1 0 375.250 2.822 20 0 GFADRO Cc1csc(C[C@@H]2CCC[N@H+](CCc3ccc(S(N)(=O)=O)cc3)C2)n1 ZINC000886691984 663115610 /nfs/dbraw/zinc/11/56/10/663115610.db2.gz QEIROVHWQWZJSM-INIZCTEOSA-N 1 0 379.551 2.596 20 0 GFADRO C[C@H]([NH2+]CC1(S(=O)(=O)N(C)C)CC1)c1ccc(OCC(F)(F)F)cc1 ZINC000886734818 663116416 /nfs/dbraw/zinc/11/64/16/663116416.db2.gz QESNPCBRGZXFON-LBPRGKRZSA-N 1 0 380.432 2.702 20 0 GFADRO OC[C@@]1(C(F)(F)F)CC[N@H+](C[C@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000886793832 663118968 /nfs/dbraw/zinc/11/89/68/663118968.db2.gz UXDDEOHPMUDMKO-SMDDNHRTSA-N 1 0 388.213 2.980 20 0 GFADRO C[NH2+]C[C@H]1CCCN(S(=O)(=O)Cc2ccc(Br)cc2C)C1 ZINC000886882433 663123316 /nfs/dbraw/zinc/12/33/16/663123316.db2.gz REGFXDCRPRIJEA-CYBMUJFWSA-N 1 0 375.332 2.519 20 0 GFADRO Cc1cc(Br)ccc1CS(=O)(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000886886751 663123471 /nfs/dbraw/zinc/12/34/71/663123471.db2.gz RIGAWOYAUVENNV-UHFFFAOYSA-N 1 0 387.343 2.663 20 0 GFADRO Cc1nc(S(=O)(=O)NC[C@H]2C[NH2+]CCC2(F)F)c(-c2ccccc2)s1 ZINC000886899371 663124209 /nfs/dbraw/zinc/12/42/09/663124209.db2.gz IWBGGRYTTYMMKG-CYBMUJFWSA-N 1 0 387.477 2.642 20 0 GFADRO O=C1CCc2cc(Cl)c(S(=O)(=O)N3CCCC[C@]4(CC[NH2+]C4)C3)cc21 ZINC000886901374 663124214 /nfs/dbraw/zinc/12/42/14/663124214.db2.gz YBFKPITXJHVQHE-GOSISDBHSA-N 1 0 382.913 2.623 20 0 GFADRO CCN(C(=O)C(=O)Nc1ccc(Br)c2ccccc12)[C@H]1CC[NH2+]C1 ZINC000887003776 663128474 /nfs/dbraw/zinc/12/84/74/663128474.db2.gz BMHQRCYVVQYLAO-LBPRGKRZSA-N 1 0 390.281 2.751 20 0 GFADRO O=C1C[C@H]([N@@H+]2CC[C@@H]([C@@H]3CCCO3)C2)C(=O)N1c1ccc(Br)cc1 ZINC000887306721 663141260 /nfs/dbraw/zinc/14/12/60/663141260.db2.gz ZWUDMYKKJABKOZ-KCXAZCMYSA-N 1 0 393.281 2.582 20 0 GFADRO Cc1sc(C[C@H](C)n2cc(Cl)cn2)nc1-c1cn([C@H]2CC[NH2+]C2)nn1 ZINC000887446720 663146806 /nfs/dbraw/zinc/14/68/06/663146806.db2.gz IWBREEQCNDSFQY-GWCFXTLKSA-N 1 0 377.905 2.898 20 0 GFADRO C[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCOc4ccc(Br)cc43)C[C@]2(C)C1 ZINC000887924340 663170247 /nfs/dbraw/zinc/17/02/47/663170247.db2.gz HJFAESPCUUVVHJ-IAISJRAMSA-N 1 0 379.298 2.725 20 0 GFADRO Cc1sc2ncnc(SCC(=O)N3C[C@H]4C[N@@H+](C)C[C@@]4(C)C3)c2c1C ZINC000887938865 663170894 /nfs/dbraw/zinc/17/08/94/663170894.db2.gz CSWHJILZPCPHAC-ACJLOTCBSA-N 1 0 376.551 2.810 20 0 GFADRO C[NH+](C)CCn1cc(C(=O)Nc2ccnn2Cc2ccc(Cl)s2)cn1 ZINC000888256025 663184363 /nfs/dbraw/zinc/18/43/63/663184363.db2.gz NBZMNRDXJPWDSC-UHFFFAOYSA-N 1 0 378.889 2.657 20 0 GFADRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2cn(C)nc2Br)C1 ZINC000888370274 663191644 /nfs/dbraw/zinc/19/16/44/663191644.db2.gz CSWZDOVBNYZXAU-TZMCWYRMSA-N 1 0 377.286 2.748 20 0 GFADRO C[C@H]1C[C@H](N(C)C(=O)COCCc2ccc(Br)cc2)CC[N@@H+]1C ZINC000889163526 663233821 /nfs/dbraw/zinc/23/38/21/663233821.db2.gz NCAAYAZKWYINDY-WMLDXEAASA-N 1 0 383.330 2.949 20 0 GFADRO Cn1nc(C(F)(F)F)c(NC(=O)NC[C@@]2([NH+](C)C)CCSC2)c1Cl ZINC000889196833 663235305 /nfs/dbraw/zinc/23/53/05/663235305.db2.gz VEWNCVARWRKJIJ-LBPRGKRZSA-N 1 0 385.843 2.651 20 0 GFADRO C[NH+]1CCC2(CCN2C(=O)C[C@H]2C(=O)Nc3c2cccc3Br)CC1 ZINC000889217838 663237681 /nfs/dbraw/zinc/23/76/81/663237681.db2.gz JAMCHLHYORBLRH-CYBMUJFWSA-N 1 0 392.297 2.572 20 0 GFADRO CSc1cc(Br)ccc1C(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000889748466 663262885 /nfs/dbraw/zinc/26/28/85/663262885.db2.gz FVZALGWTFDEPKU-LSDHHAIUSA-N 1 0 399.354 2.842 20 0 GFADRO O=C(c1c(Cl)cccc1Br)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000889750957 663262983 /nfs/dbraw/zinc/26/29/83/663262983.db2.gz RCIKRFOIMYMPIX-KGLIPLIRSA-N 1 0 387.705 2.774 20 0 GFADRO O=C([C@@H]1CCc2cc(Br)ccc21)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000889751155 663263261 /nfs/dbraw/zinc/26/32/61/663263261.db2.gz RUQWWRQMGDPEOW-SQNIBIBYSA-N 1 0 393.325 2.537 20 0 GFADRO CC(C)(C(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO)c1cccc(Br)c1 ZINC000889770069 663265328 /nfs/dbraw/zinc/26/53/28/663265328.db2.gz PFPZISAETLZJMN-SJORKVTESA-N 1 0 395.341 2.784 20 0 GFADRO O=C(c1ccc(Br)cc1Cl)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000889773841 663265792 /nfs/dbraw/zinc/26/57/92/663265792.db2.gz LBGAIWBOISRELY-CABCVRRESA-N 1 0 387.705 2.774 20 0 GFADRO Cc1ccc(F)c(Br)c1C(=O)N[C@@H](C)CC[NH+]1CCN(C)CC1 ZINC000890009960 663280608 /nfs/dbraw/zinc/28/06/08/663280608.db2.gz UZGNGMZDNQKYHC-ZDUSSCGKSA-N 1 0 386.309 2.652 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)NCCc2ccccc2Br)C[C@H]1C(F)(F)F ZINC000891461364 663340289 /nfs/dbraw/zinc/34/02/89/663340289.db2.gz VTFHKIRGWNDECU-NWDGAFQWSA-N 1 0 394.235 2.770 20 0 GFADRO O=C(NC[C@@H]1C[NH2+]CCC1(F)F)N[C@H]1CCc2c1cccc2Br ZINC000891501320 663341628 /nfs/dbraw/zinc/34/16/28/663341628.db2.gz BPMPMSZHPOKPJT-HZMBPMFUSA-N 1 0 388.256 2.980 20 0 GFADRO C[C@@H](Cc1ccc(F)c(Br)c1)NC(=O)NCc1cc(N)cc[nH+]1 ZINC000891688649 663347454 /nfs/dbraw/zinc/34/74/54/663347454.db2.gz GVJCQYOFJFXFEW-JTQLQIEISA-N 1 0 381.249 2.996 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)NCCSCc2ccnc(Cl)c2)C[C@@H]1C(F)(F)F ZINC000891778663 663350073 /nfs/dbraw/zinc/35/00/73/663350073.db2.gz JHEJOFNOEUJORT-RYUDHWBXSA-N 1 0 396.866 2.747 20 0 GFADRO CO[C@H](c1ccccc1Cl)[C@@H](C)NC(=O)NC[C@H]1C[NH2+]CCC1(F)F ZINC000891812903 663351575 /nfs/dbraw/zinc/35/15/75/663351575.db2.gz GQARCUBYHOFXHB-JMSVASOKSA-N 1 0 375.847 2.960 20 0 GFADRO CN(Cc1nc(Br)c[nH]1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000891840464 663352440 /nfs/dbraw/zinc/35/24/40/663352440.db2.gz USWZGSSHEMLNEM-UHFFFAOYSA-N 1 0 378.318 2.706 20 0 GFADRO CCN(C(=O)NCc1cnn(-c2ccc(Br)cc2)c1)[C@H]1CC[NH2+]C1 ZINC000891858034 663353090 /nfs/dbraw/zinc/35/30/90/663353090.db2.gz KCCZZAXPLFYYGZ-INIZCTEOSA-N 1 0 392.301 2.528 20 0 GFADRO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)NCc2ncc(Br)cn2)C1 ZINC000892259797 663367489 /nfs/dbraw/zinc/36/74/89/663367489.db2.gz CXJYGYJSLXQNME-STQMWFEESA-N 1 0 398.349 2.795 20 0 GFADRO COC[C@@H](NC(=O)N[C@H]1CC12CC[NH2+]CC2)c1cccc(Br)c1 ZINC000892267343 663367986 /nfs/dbraw/zinc/36/79/86/663367986.db2.gz MKXXMTAIOTWAHL-CABCVRRESA-N 1 0 382.302 2.578 20 0 GFADRO CC[C@@H]1CN(C(=O)N[C@@H]2[C@@H]3Cc4c(cccc4Br)[C@@H]32)CC[C@H]1[NH3+] ZINC000892322924 663369384 /nfs/dbraw/zinc/36/93/84/663369384.db2.gz QSWSGTRHPJJEOZ-YZTAHQKSSA-N 1 0 378.314 2.856 20 0 GFADRO CCOc1ccc(C[C@H](C[NH2+]Cc2nc(Br)c[nH]2)C(=O)OC)cc1 ZINC000892402745 663372339 /nfs/dbraw/zinc/37/23/39/663372339.db2.gz YWLGHXYCHCPGPL-CYBMUJFWSA-N 1 0 396.285 2.692 20 0 GFADRO [NH3+][C@@H](CCNC(=O)N1CCSC[C@H]1c1nccs1)Cc1ccccc1 ZINC000892406452 663372363 /nfs/dbraw/zinc/37/23/63/663372363.db2.gz ZNOVJIAPBQEPGF-HOTGVXAUSA-N 1 0 376.551 2.903 20 0 GFADRO CC(=O)Nc1cc(Br)ccc1C[NH2+]C[C@H]1CN(CC(C)C)CCO1 ZINC000892409243 663372591 /nfs/dbraw/zinc/37/25/91/663372591.db2.gz ZFBDCWJJIPUDLJ-KRWDZBQOSA-N 1 0 398.345 2.854 20 0 GFADRO COC[C@@H](NC(=O)N[C@H]1CC[C@H](C[NH3+])CC1)c1cccc(Br)c1 ZINC000892431089 663373495 /nfs/dbraw/zinc/37/34/95/663373495.db2.gz TWSJWZQGYGMMLC-DAXOMENPSA-N 1 0 384.318 2.953 20 0 GFADRO CN(C)C(=O)CC[NH+]1CCC(Nc2nc3cc(Br)ccc3o2)CC1 ZINC000892433840 663373619 /nfs/dbraw/zinc/37/36/19/663373619.db2.gz CTISKMUAEGDGCU-UHFFFAOYSA-N 1 0 395.301 2.945 20 0 GFADRO [NH3+]CC12CCC(CC1)N2C(=O)N[C@H](CCO)c1ccccc1Br ZINC000892463426 663374641 /nfs/dbraw/zinc/37/46/41/663374641.db2.gz FNRPWAOWTXAILO-YAJUMTOWSA-N 1 0 382.302 2.538 20 0 GFADRO Cc1ccc([C@@H](C[NH2+]Cc2ncc(Br)cc2O)N2CCOCC2)o1 ZINC000892470853 663374883 /nfs/dbraw/zinc/37/48/83/663374883.db2.gz OYRBYDNMTQMBKO-OAHLLOKOSA-N 1 0 396.285 2.614 20 0 GFADRO CC1(C)C[NH2+]CC[C@H](NC(=O)NC[C@H](O)c2ccccc2Br)C1 ZINC000892482617 663375092 /nfs/dbraw/zinc/37/50/92/663375092.db2.gz ZFXQCTFLGKLEQR-WFASDCNBSA-N 1 0 384.318 2.560 20 0 GFADRO CC(=O)Nc1cc(Br)ccc1C[NH2+]CCNC(=O)c1ccco1 ZINC000892503053 663375816 /nfs/dbraw/zinc/37/58/16/663375816.db2.gz VESLNWRMXJWWNE-UHFFFAOYSA-N 1 0 380.242 2.520 20 0 GFADRO [NH3+][C@H]1C[C@@H](CNC(=O)N2CCC[C@@H]2c2ccc(I)cc2)C1 ZINC000892560134 663377278 /nfs/dbraw/zinc/37/72/78/663377278.db2.gz PTLHTTQNPWWRMM-BYCMXARLSA-N 1 0 399.276 2.875 20 0 GFADRO CN(C)S(=O)(=O)c1ccc(C[NH2+]Cc2cnc(CC(F)(F)F)s2)cc1 ZINC000892595906 663378316 /nfs/dbraw/zinc/37/83/16/663378316.db2.gz AAGALXGGZODEKH-UHFFFAOYSA-N 1 0 393.456 2.788 20 0 GFADRO CCN(CCC[NH2+]Cc1sccc1NC(=O)OC(C)(C)C)S(C)(=O)=O ZINC000892648642 663379797 /nfs/dbraw/zinc/37/97/97/663379797.db2.gz KBJVIOYAEMMDKI-UHFFFAOYSA-N 1 0 391.559 2.856 20 0 GFADRO C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)NCc1cc(C(F)(F)F)cc(Cl)n1)C2 ZINC000892712146 663382986 /nfs/dbraw/zinc/38/29/86/663382986.db2.gz RFZWIXWIAUGBJJ-GASCZTMLSA-N 1 0 376.810 2.895 20 0 GFADRO CCOC(=O)c1ncc(Br)c(N2CC[C@H](C[NH+](CC)CC)C2)n1 ZINC000892722316 663383254 /nfs/dbraw/zinc/38/32/54/663383254.db2.gz IEVPAGTZNKDUOF-GFCCVEGCSA-N 1 0 385.306 2.584 20 0 GFADRO C[C@]1(NC(=O)c2cc(=O)[nH]c3c(Br)cccc23)C[NH+]2CCC1CC2 ZINC000892780422 663384390 /nfs/dbraw/zinc/38/43/90/663384390.db2.gz SFXYLBDOAPDIPA-SFHVURJKSA-N 1 0 390.281 2.917 20 0 GFADRO C[NH+](C)C1CCN(CCNc2ncc(Br)c3cccnc32)CC1 ZINC000892816118 663385576 /nfs/dbraw/zinc/38/55/76/663385576.db2.gz OYOGHTJOOUZTPH-UHFFFAOYSA-N 1 0 378.318 2.830 20 0 GFADRO Cc1cc(Br)cc(N2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)n1 ZINC000892986763 663392028 /nfs/dbraw/zinc/39/20/28/663392028.db2.gz YYSNLIYRQWHTTD-SJPCQFCGSA-N 1 0 379.346 2.900 20 0 GFADRO COC(=O)c1sccc1C[NH2+]C[C@@H](O)c1cc(Cl)c2c(c1)OCCO2 ZINC000892992024 663392502 /nfs/dbraw/zinc/39/25/02/663392502.db2.gz LSCBUYRMMARQTQ-CYBMUJFWSA-N 1 0 383.853 2.783 20 0 GFADRO C[C@H](C[NH2+][C@H](C)[C@H]1CCS(=O)(=O)C1)Oc1ccc(Br)cc1 ZINC000893076735 663395975 /nfs/dbraw/zinc/39/59/75/663395975.db2.gz FKCTXMYQHLMEHJ-UPJWGTAASA-N 1 0 376.316 2.629 20 0 GFADRO C[C@H](C[NH2+][C@@H](C)[C@H]1CCS(=O)(=O)C1)Oc1ccc(Br)cc1 ZINC000893076731 663395980 /nfs/dbraw/zinc/39/59/80/663395980.db2.gz FKCTXMYQHLMEHJ-AGIUHOORSA-N 1 0 376.316 2.629 20 0 GFADRO CO[C@H](c1ccc(Br)cc1)[C@H](C)[NH2+][C@H](C)[C@@H]1CCS(=O)(=O)C1 ZINC000893297472 663405867 /nfs/dbraw/zinc/40/58/67/663405867.db2.gz MOWZEUDSCLDDNQ-FIRUKDTASA-N 1 0 390.343 2.938 20 0 GFADRO CC(C)([NH2+]Cc1cnc2n1CCOC2)[C@H](O)c1ccc(Br)cc1 ZINC000893603172 663416922 /nfs/dbraw/zinc/41/69/22/663416922.db2.gz TXNXTJJKWPUYNK-MRXNPFEDSA-N 1 0 380.286 2.778 20 0 GFADRO CSC1(CNc2ccc(S(=O)(=O)N3CCCC3)cc2)CC[NH+](C)CC1 ZINC000893911050 663431322 /nfs/dbraw/zinc/43/13/22/663431322.db2.gz MOWNOYNWKLEEPK-UHFFFAOYSA-N 1 0 383.583 2.710 20 0 GFADRO C[N@H+](CC1CC1)C[C@H]1CCN(Cc2sc(N3CCOCC3)nc2Cl)C1 ZINC000894086400 663441903 /nfs/dbraw/zinc/44/19/03/663441903.db2.gz FKGBBEIGNOVPCR-OAHLLOKOSA-N 1 0 384.977 2.797 20 0 GFADRO CC[C@@H](CNCc1nc(Br)nn1C)[N@@H+]1CCc2ccccc2C1 ZINC000894166512 663446622 /nfs/dbraw/zinc/44/66/22/663446622.db2.gz YCJNWHLKAVEZPE-HNNXBMFYSA-N 1 0 378.318 2.504 20 0 GFADRO C[C@@H]([NH2+]Cc1sc(N2CCOCC2)nc1Cl)[C@H](O)c1ccc(F)cc1 ZINC000894259589 663451288 /nfs/dbraw/zinc/45/12/88/663451288.db2.gz XVBPYVNFFJJMNT-ABAIWWIYSA-N 1 0 385.892 2.984 20 0 GFADRO C[C@H]([NH2+]Cc1sc(N2CCOCC2)nc1Cl)[C@@H](O)c1ccc(F)cc1 ZINC000894259592 663451506 /nfs/dbraw/zinc/45/15/06/663451506.db2.gz XVBPYVNFFJJMNT-XHDPSFHLSA-N 1 0 385.892 2.984 20 0 GFADRO Clc1nc(N2CCOCC2)sc1C[NH2+]CCOc1ncccc1Cl ZINC000894330745 663455151 /nfs/dbraw/zinc/45/51/51/663455151.db2.gz SDBRJBLPMASNSQ-UHFFFAOYSA-N 1 0 389.308 2.850 20 0 GFADRO C[C@@](O)(C[NH2+]Cc1sc(N2CCOCC2)nc1Cl)c1ccc(F)cc1 ZINC000894366866 663457946 /nfs/dbraw/zinc/45/79/46/663457946.db2.gz HTQOYRXVKMVMAQ-QGZVFWFLSA-N 1 0 385.892 2.770 20 0 GFADRO CCc1nnc(NC(=O)[C@H](C)[C@H](C)[NH2+]C[C@H]2C[C@@]2(C)Br)s1 ZINC000894440540 663461735 /nfs/dbraw/zinc/46/17/35/663461735.db2.gz ZLZMXOSXNVMKRU-QOBXEIRBSA-N 1 0 375.336 2.827 20 0 GFADRO C[C@@]1(Br)C[C@H]1C[N@H+](CCCN1CCOCC1)Cc1ccncc1 ZINC000894448800 663462118 /nfs/dbraw/zinc/46/21/18/663462118.db2.gz PSSYIDYAJLQBKJ-ZWKOTPCHSA-N 1 0 382.346 2.779 20 0 GFADRO C[NH+](C)CCN(Cc1cnc2n1CCOC2)Cc1ccc(Br)cc1 ZINC000894457556 663462910 /nfs/dbraw/zinc/46/29/10/663462910.db2.gz CZHQPKXHJHINEL-UHFFFAOYSA-N 1 0 393.329 2.740 20 0 GFADRO CC(C)(C)OC(=O)N1CC(C[NH2+]CCCCn2cc(Br)cn2)C1 ZINC000894596599 663470421 /nfs/dbraw/zinc/47/04/21/663470421.db2.gz BPWDGHJTZABMSR-UHFFFAOYSA-N 1 0 387.322 2.882 20 0 GFADRO Cc1ccc([C@@H](O)[C@@H](C)[NH2+]Cc2c(I)cnn2C)cc1 ZINC000894746985 663478700 /nfs/dbraw/zinc/47/87/00/663478700.db2.gz ABDABXPBBQJHFK-ABAIWWIYSA-N 1 0 385.249 2.545 20 0 GFADRO COc1ccc(C[NH2+]C[C@@H](CO)Cc2cc(Br)ccc2F)nc1 ZINC000894749669 663479456 /nfs/dbraw/zinc/47/94/56/663479456.db2.gz BQBWIQRAVKYWSG-LBPRGKRZSA-N 1 0 383.261 2.933 20 0 GFADRO Cn1ncc(I)c1C[NH2+]CC1(c2ccccn2)CCC1 ZINC000894756131 663479858 /nfs/dbraw/zinc/47/98/58/663479858.db2.gz HLNHQYFOYZHBAY-UHFFFAOYSA-N 1 0 382.249 2.631 20 0 GFADRO CCn1cc(C[NH2+]C2CCN(Cc3cccc(Br)c3)CC2)nn1 ZINC000894947228 663491049 /nfs/dbraw/zinc/49/10/49/663491049.db2.gz DDSCSBMVFQVAFO-UHFFFAOYSA-N 1 0 378.318 2.815 20 0 GFADRO CC(C)(C)OC(=O)NCC1(O)CC[NH+](C[C@@H]2C[C@@]2(C)Br)CC1 ZINC000894957239 663491560 /nfs/dbraw/zinc/49/15/60/663491560.db2.gz DWTZTNOHJNHAFF-SWLSCSKDSA-N 1 0 377.323 2.512 20 0 GFADRO CC(=O)N1CSC[C@H]1C(=O)Nc1ccc(C[NH+](C)C)c(C(F)(F)F)c1 ZINC000894983522 663493331 /nfs/dbraw/zinc/49/33/31/663493331.db2.gz SUHIWKMOUCLFMO-AWEZNQCLSA-N 1 0 375.416 2.627 20 0 GFADRO COc1nsc(C[N@@H+]2C[C@H](C(N)=O)[C@@H](c3ccccc3)C2)c1Br ZINC000895004564 663494532 /nfs/dbraw/zinc/49/45/32/663494532.db2.gz CHUDFGACHIJISK-NEPJUHHUSA-N 1 0 396.310 2.615 20 0 GFADRO CCC(CC)(C[NH2+]Cc1nc(Br)nn1C)C(=O)OC(C)(C)C ZINC000895051426 663497209 /nfs/dbraw/zinc/49/72/09/663497209.db2.gz GWAAKZOXUPAOKF-UHFFFAOYSA-N 1 0 375.311 2.815 20 0 GFADRO CC[C@H]([NH2+]Cc1ncc(Br)cc1O)C(=O)NCc1cccs1 ZINC000895109117 663499650 /nfs/dbraw/zinc/49/96/50/663499650.db2.gz PRAYTTJYOXSCTN-LBPRGKRZSA-N 1 0 384.299 2.796 20 0 GFADRO Cc1cnc(OC2CCN(Cc3ncc(Br)cc3[O-])CC2)nc1 ZINC000895212180 663503377 /nfs/dbraw/zinc/50/33/77/663503377.db2.gz TWBWROSZJFNLOT-UHFFFAOYSA-N 1 0 379.258 2.692 20 0 GFADRO CCOC(=O)[C@]1(C)CCC[C@@H]1[NH2+]Cc1sc(N2CCOCC2)nc1Cl ZINC000895339934 663509207 /nfs/dbraw/zinc/50/92/07/663509207.db2.gz DAYOJHSZZQCNKZ-SUMWQHHRSA-N 1 0 387.933 2.845 20 0 GFADRO CC(C)(C)OC(=O)N1CC2(C1)C[C@H]([NH2+]C[C@@H]1C[C@]1(C)Br)CO2 ZINC000895356350 663509773 /nfs/dbraw/zinc/50/97/73/663509773.db2.gz VUXJLXZPUACCDC-HUBLWGQQSA-N 1 0 375.307 2.528 20 0 GFADRO CC(C)(C)OC(=O)NCCC1CC([NH2+]C[C@@H](O)C(F)(F)C(F)(F)F)C1 ZINC000895677226 663522662 /nfs/dbraw/zinc/52/26/62/663522662.db2.gz IRXNVGFBUGGSKG-VQXHTEKXSA-N 1 0 376.366 2.828 20 0 GFADRO CC[NH+](CC)[C@H](CNC(=O)c1cn(C)nc1Br)Cc1ccccc1 ZINC000895676915 663522745 /nfs/dbraw/zinc/52/27/45/663522745.db2.gz FCGNHTFNHSVCFC-HNNXBMFYSA-N 1 0 393.329 2.866 20 0 GFADRO C[C@H](C[C@H]1CCCC(=O)N1)[NH2+][C@H]1CCc2cc(Br)ccc2NC1=O ZINC000895693741 663523490 /nfs/dbraw/zinc/52/34/90/663523490.db2.gz BLCRMGLHGZXIFI-XFJVYGCCSA-N 1 0 394.313 2.739 20 0 GFADRO CNC(=O)C1([NH2+]Cc2ccc(Br)cc2C(F)(F)F)CCOCC1 ZINC000895884270 663532098 /nfs/dbraw/zinc/53/20/98/663532098.db2.gz IZNIFMXNLGUXDG-UHFFFAOYSA-N 1 0 395.219 2.853 20 0 GFADRO C[NH+]1CCC2(CCN2C(=O)N[C@@H]2[C@H]3Cc4cc(Br)ccc4[C@@H]23)CC1 ZINC000896103154 663541040 /nfs/dbraw/zinc/54/10/40/663541040.db2.gz KTZOIBNNBNTPDN-GVDBMIGSSA-N 1 0 390.325 2.967 20 0 GFADRO COc1ccc([C@H]([NH2+]C(C)C)C(=O)NCc2n[nH]cc2Br)cc1 ZINC000896177155 663543553 /nfs/dbraw/zinc/54/35/53/663543553.db2.gz ZNIDSDJRXQOSAB-HNNXBMFYSA-N 1 0 381.274 2.536 20 0 GFADRO FC(F)(F)[C@H]1CC[C@@H](C[NH2+]Cc2cnn3cc(Br)cnc23)O1 ZINC000896280781 663548916 /nfs/dbraw/zinc/54/89/16/663548916.db2.gz SDYAMWPUMXQMDV-WDEREUQCSA-N 1 0 379.180 2.691 20 0 GFADRO Cn1cc(C[NH2+]CC(C)(C)CNC(=O)OC(C)(C)C)c(Br)n1 ZINC000896283047 663549033 /nfs/dbraw/zinc/54/90/33/663549033.db2.gz ZTNKYBKXZFUBDS-UHFFFAOYSA-N 1 0 375.311 2.823 20 0 GFADRO COC(=O)c1ccc(CNCc2cc(N(C)C)cc[nH+]2)c(Br)c1 ZINC000896297680 663549605 /nfs/dbraw/zinc/54/96/05/663549605.db2.gz CICPDUYSRSSSFX-UHFFFAOYSA-N 1 0 378.270 2.987 20 0 GFADRO Brc1c(C[NH2+][C@H]2CCCN3CCSC[C@H]23)nc2ccccn21 ZINC000896432915 663557225 /nfs/dbraw/zinc/55/72/25/663557225.db2.gz SSMMMGRPCUPXSA-GXTWGEPZSA-N 1 0 381.343 2.766 20 0 GFADRO C[C@@H](NC(=O)c1oc2ccccc2c1Br)[C@@H]1C[N@H+](C)CCN1C ZINC000896528816 663560746 /nfs/dbraw/zinc/56/07/46/663560746.db2.gz VPAYEDWTCDJBLQ-YPMHNXCESA-N 1 0 380.286 2.559 20 0 GFADRO Cc1cc(C)c(CC(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCN2C)c(C)c1Br ZINC000896531304 663561676 /nfs/dbraw/zinc/56/16/76/663561676.db2.gz ZJCULEFDBZWSNQ-RDJZCZTQSA-N 1 0 396.373 2.667 20 0 GFADRO C[C@H](Sc1nc2ccccc2s1)C(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCN1C ZINC000896551533 663563686 /nfs/dbraw/zinc/56/36/86/663563686.db2.gz DUAXXMGMQCVKMD-YDHLFZDLSA-N 1 0 378.567 2.527 20 0 GFADRO C[C@H](NC(=O)CCc1nc2cc(Cl)ccc2s1)[C@H]1C[N@H+](C)CCN1C ZINC000896560176 663563972 /nfs/dbraw/zinc/56/39/72/663563972.db2.gz MOXAJNNBLRTEKX-SWLSCSKDSA-N 1 0 380.945 2.633 20 0 GFADRO C[C@@H](NC(=O)CCc1nc2cc(Cl)ccc2s1)[C@@H]1C[N@H+](C)CCN1C ZINC000896560174 663564448 /nfs/dbraw/zinc/56/44/48/663564448.db2.gz MOXAJNNBLRTEKX-DOMZBBRYSA-N 1 0 380.945 2.633 20 0 GFADRO C[N@@H+]1C[C@@H]2CCN(C(=O)N[C@H]3CCOc4ccc(Br)cc43)[C@@H]2C1 ZINC000896613101 663568186 /nfs/dbraw/zinc/56/81/86/663568186.db2.gz SKBBAFHKSQLPRW-TUKIKUTGSA-N 1 0 380.286 2.618 20 0 GFADRO C[C@H]1C[C@@H](C[NH2+]CC(C)(C)CS(C)(=O)=O)CCN1C(=O)OC(C)(C)C ZINC000896870855 663580117 /nfs/dbraw/zinc/58/01/17/663580117.db2.gz SJOWQWFVHKSJEE-GJZGRUSLSA-N 1 0 376.563 2.682 20 0 GFADRO CCc1noc([C@@H]2CC[C@@H]([NH2+]Cc3cnn4cc(Br)cnc34)C2)n1 ZINC000897046460 663588405 /nfs/dbraw/zinc/58/84/05/663588405.db2.gz ZLPXENWZYWNTKU-ZWNOBZJWSA-N 1 0 391.273 2.863 20 0 GFADRO NS(=O)(=O)C[C@H]1CC[N@H+](Cc2ccc(-c3nc4ccccc4s3)o2)C1 ZINC000897057506 663588719 /nfs/dbraw/zinc/58/87/19/663588719.db2.gz DOCUBJYZFBEPTP-LBPRGKRZSA-N 1 0 377.491 2.667 20 0 GFADRO Cn1cc(C(=O)N2CCC(CCC[NH+]3CCCC3)CC2)c(Br)n1 ZINC000897169844 663593930 /nfs/dbraw/zinc/59/39/30/663593930.db2.gz HBOXGHPMINKFKA-UHFFFAOYSA-N 1 0 383.334 2.911 20 0 GFADRO O=C(C1C[NH+]([C@@H]2CCOC2)C1)N1CCC[C@@H]1c1ccc(Br)s1 ZINC000897373104 663603171 /nfs/dbraw/zinc/60/31/71/663603171.db2.gz KUPCZXMXJQZBIA-CHWSQXEVSA-N 1 0 385.327 2.895 20 0 GFADRO O=C(C1C[NH+](C2CCOCC2)C1)N1CCc2c(Br)ccc(F)c2C1 ZINC000897382022 663603760 /nfs/dbraw/zinc/60/37/60/663603760.db2.gz CBRYBWXDQVDRKM-UHFFFAOYSA-N 1 0 397.288 2.584 20 0 GFADRO C[C@@H]1CCC[N@@H+]1CCNC(=O)N1CCCC[C@H]1c1ncc(Br)cn1 ZINC000897519241 663608349 /nfs/dbraw/zinc/60/83/49/663608349.db2.gz PLDBRVWTXLZAKQ-HIFRSBDPSA-N 1 0 396.333 2.960 20 0 GFADRO C[N@@H+]1CCCC[C@@H](CNC(=O)NC2(c3ncc(Br)cn3)CCC2)C1 ZINC000897567984 663611621 /nfs/dbraw/zinc/61/16/21/663611621.db2.gz OEYODQSKCQTPHL-ZDUSSCGKSA-N 1 0 396.333 2.649 20 0 GFADRO CCO[P@@](C)(=O)CC[C@H](C)[NH2+][C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1OC ZINC000897651639 663614678 /nfs/dbraw/zinc/61/46/78/663614678.db2.gz HZLVRJUYVMOONV-AUIDAWSYSA-N 1 0 378.450 2.933 20 0 GFADRO CC1(C)C[C@@H]([NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)CCS1 ZINC000897788591 663620530 /nfs/dbraw/zinc/62/05/30/663620530.db2.gz GZUHMNWCXJCUOR-NSHDSACASA-N 1 0 393.372 2.860 20 0 GFADRO C[C@@H](NC(=O)C1C[NH+]([C@H]2CCOC2)C1)c1ccc(C(F)(F)F)nc1Cl ZINC000897844307 663622185 /nfs/dbraw/zinc/62/21/85/663622185.db2.gz IIFBRPFRJLQRIR-KOLCDFICSA-N 1 0 377.794 2.652 20 0 GFADRO O=C(C1C[NH+](C2CCOCC2)C1)N1CCC[C@@H]1c1ccc(Br)cn1 ZINC000897946686 663626719 /nfs/dbraw/zinc/62/67/19/663626719.db2.gz UUHDOCWIGPJQIC-QGZVFWFLSA-N 1 0 394.313 2.618 20 0 GFADRO O=C(C1C[NH+](C2CCOCC2)C1)N1CCC[C@H]1c1ccc(Br)cn1 ZINC000897946685 663626727 /nfs/dbraw/zinc/62/67/27/663626727.db2.gz UUHDOCWIGPJQIC-KRWDZBQOSA-N 1 0 394.313 2.618 20 0 GFADRO COc1ccc2c(c1)CC[C@H]2[NH2+][C@@H]1Cc2cc(Br)cnc2NC1=O ZINC000897977334 663627733 /nfs/dbraw/zinc/62/77/33/663627733.db2.gz DDDYUOSFMHTOSG-HZPDHXFCSA-N 1 0 388.265 2.993 20 0 GFADRO C[C@H](Cc1ccc(O)cc1)[NH2+][C@@H]1Cc2cc(Br)cnc2NC1=O ZINC000897977627 663628046 /nfs/dbraw/zinc/62/80/46/663628046.db2.gz GHOOAYIYLYQFPV-MEBBXXQBSA-N 1 0 376.254 2.634 20 0 GFADRO COCc1cccc(C[NH2+][C@@H]2Cc3cc(Br)cnc3NC2=O)c1 ZINC000897979209 663628624 /nfs/dbraw/zinc/62/86/24/663628624.db2.gz YBCOMUMARUWZFG-OAHLLOKOSA-N 1 0 376.254 2.644 20 0 GFADRO Cn1cc([C@@]2(C[NH2+]Cc3cccc(I)c3)CCCO2)cn1 ZINC000898053969 663631517 /nfs/dbraw/zinc/63/15/17/663631517.db2.gz NADBERPOLJUHDT-INIZCTEOSA-N 1 0 397.260 2.820 20 0 GFADRO Cn1ncc(Br)c1C[NH2+][C@@H]1C[C@H]2CC[C@@H]1N2C(=O)OC(C)(C)C ZINC000898074370 663632403 /nfs/dbraw/zinc/63/24/03/663632403.db2.gz RGACORLMBALHHS-RTXFEEFZSA-N 1 0 385.306 2.813 20 0 GFADRO O=c1cc(N2CC[C@@H]([NH2+]Cc3ccc(Br)c(F)c3F)C2)nc[nH]1 ZINC000898150205 663635596 /nfs/dbraw/zinc/63/55/96/663635596.db2.gz QORDRDZBMFKQBQ-SNVBAGLBSA-N 1 0 385.212 2.591 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3[C@@H]4c5cc(Br)ccc5C[C@H]34)C[C@@H]2C1 ZINC000898171881 663637329 /nfs/dbraw/zinc/63/73/29/663637329.db2.gz MMKCYYOXKIGTDU-LTCQIXDTSA-N 1 0 375.310 2.745 20 0 GFADRO O=c1ccn(CCC[NH2+]Cc2oc3ccccc3c2Br)c(=O)[nH]1 ZINC000898328558 663643717 /nfs/dbraw/zinc/64/37/17/663643717.db2.gz CGCWFBDEDZSROU-UHFFFAOYSA-N 1 0 378.226 2.638 20 0 GFADRO O=c1[nH]ncc(N2CC[C@@H]([NH2+]Cc3ccccc3Br)C2)c1Cl ZINC000898362306 663644265 /nfs/dbraw/zinc/64/42/65/663644265.db2.gz AHRYDHVJBUUTOI-LLVKDONJSA-N 1 0 383.677 2.967 20 0 GFADRO CCN(CC)c1ncc(C[NH+]2CCC(CN=[S@](C)(=O)N(C)C)CC2)s1 ZINC000898398128 663648120 /nfs/dbraw/zinc/64/81/20/663648120.db2.gz CHSFWORUGWNMEM-VWLOTQADSA-N 1 0 387.619 2.776 20 0 GFADRO C[NH+](C)CCN(Cc1ccccc1)C(=O)NCc1ncc(Br)cn1 ZINC000898400031 663648650 /nfs/dbraw/zinc/64/86/50/663648650.db2.gz WNKGUMIWDLTOMI-UHFFFAOYSA-N 1 0 392.301 2.513 20 0 GFADRO C[C@H](CCn1cccn1)[NH2+][C@@H](CO)c1ccccc1I ZINC000898511973 663653962 /nfs/dbraw/zinc/65/39/62/663653962.db2.gz GMKYHKYIOMTMJB-DOMZBBRYSA-N 1 0 385.249 2.590 20 0 GFADRO COc1ccc(Br)cc1C(=O)NC1CC[NH+](C2CCOCC2)CC1 ZINC000898632874 663658678 /nfs/dbraw/zinc/65/86/78/663658678.db2.gz SHXDZEVDBIEKDU-UHFFFAOYSA-N 1 0 397.313 2.831 20 0 GFADRO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCc2ncc(Br)n2C1 ZINC000898723936 663661114 /nfs/dbraw/zinc/66/11/14/663661114.db2.gz KLJSHMPQSCMDKA-FRRDWIJNSA-N 1 0 399.333 2.996 20 0 GFADRO Brc1cnc2n1C[C@H]([NH2+]Cc1ccc(Br)cn1)CC2 ZINC000898725453 663661529 /nfs/dbraw/zinc/66/15/29/663661529.db2.gz UFTDLSYBJGFAEN-LLVKDONJSA-N 1 0 386.091 2.908 20 0 GFADRO COc1cc(C[NH2+][C@H]2CCc3ncc(Br)n3C2)cc(OC)c1OC ZINC000898727422 663661880 /nfs/dbraw/zinc/66/18/80/663661880.db2.gz WQUXWNCHMKGFIL-LBPRGKRZSA-N 1 0 396.285 2.776 20 0 GFADRO Cc1cccc(CN2C(=O)N[C@@]3(CCCC[C@@H]3C[NH3+])C2=O)c1Br ZINC000899633045 663696677 /nfs/dbraw/zinc/69/66/77/663696677.db2.gz LORNKGROHNBZED-CXAGYDPISA-N 1 0 380.286 2.697 20 0 GFADRO C[C@](O)(c1cn(C[C@H]2CCCC[NH2+]C2)nn1)c1ccccc1Br ZINC000899741291 663700015 /nfs/dbraw/zinc/70/00/15/663700015.db2.gz OQRBSOKDNLQIMS-SUMWQHHRSA-N 1 0 379.302 2.686 20 0 GFADRO CC(C)n1cc(Br)c(C(=O)N2CCC[C@H]([NH2+]C3CCOCC3)C2)n1 ZINC000899926370 663702761 /nfs/dbraw/zinc/70/27/61/663702761.db2.gz LCZLKTMMQFKAES-AWEZNQCLSA-N 1 0 399.333 2.600 20 0 GFADRO C[NH+](C)Cc1ccccc1CNC(=O)[C@H](O)c1cccc(Br)c1 ZINC000899989806 663706262 /nfs/dbraw/zinc/70/62/62/663706262.db2.gz CMZJHKDBRJXZDL-QGZVFWFLSA-N 1 0 377.282 2.861 20 0 GFADRO [NH3+]C1(c2noc(C[C@H]3C(=O)Nc4ccc(Br)cc43)n2)CCCC1 ZINC000900005385 663706325 /nfs/dbraw/zinc/70/63/25/663706325.db2.gz HLDVADHDKVCUNO-LLVKDONJSA-N 1 0 377.242 2.839 20 0 GFADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)C(C)(C)Cc1ccc(Br)cc1 ZINC000900613449 663718195 /nfs/dbraw/zinc/71/81/95/663718195.db2.gz KHWAJTVCPSIEGI-OAHLLOKOSA-N 1 0 396.373 2.770 20 0 GFADRO CC[NH+]1CCN([C@H](C)CNC(=O)c2c(C)ccc(F)c2Br)CC1 ZINC000900688142 663719723 /nfs/dbraw/zinc/71/97/23/663719723.db2.gz ZFCBWHSOOAWIFS-CYBMUJFWSA-N 1 0 386.309 2.652 20 0 GFADRO C[N@@H+]1CCC[C@@H](CNC(=O)CN2CSCCSC2)[C@H]1c1cccs1 ZINC000900826775 663722352 /nfs/dbraw/zinc/72/23/52/663722352.db2.gz NVOMYTQXXIGVII-YOEHRIQHSA-N 1 0 385.624 2.944 20 0 GFADRO CC(C)[NH+]1CCN(CCC(=O)Nc2nc3cc(Br)ccc3[nH]2)CC1 ZINC000900880874 663723230 /nfs/dbraw/zinc/72/32/30/663723230.db2.gz FPERHYKNVPSCIR-UHFFFAOYSA-N 1 0 394.317 2.680 20 0 GFADRO CC[C@@H](NC(=O)c1ccnn1CC[NH+](C)C)c1nc(C(F)(F)F)cs1 ZINC000900909599 663723667 /nfs/dbraw/zinc/72/36/67/663723667.db2.gz JZMKMIJROVUNKW-SNVBAGLBSA-N 1 0 375.420 2.801 20 0 GFADRO CC(C)[NH+]1CCN(CCC(=O)N[C@H](C)Cc2ccccc2Br)CC1 ZINC000901048949 663729390 /nfs/dbraw/zinc/72/93/90/663729390.db2.gz UEZISANNAOZMIF-MRXNPFEDSA-N 1 0 396.373 2.912 20 0 GFADRO Cc1ccc(F)c(Br)c1C(=O)NCCCC[N@@H+]1CCC[C@H]1CO ZINC000901140633 663730991 /nfs/dbraw/zinc/73/09/91/663730991.db2.gz UKEHKYOGQCPOMQ-ZDUSSCGKSA-N 1 0 387.293 2.863 20 0 GFADRO C[C@@H]1Cc2ccc(Br)cc2CN1C(=O)C[C@]1(O)CCC[N@H+](C)C1 ZINC000901280470 663733631 /nfs/dbraw/zinc/73/36/31/663733631.db2.gz ZSOJAQRGEJGMQA-FZKQIMNGSA-N 1 0 381.314 2.569 20 0 GFADRO C[NH+]1CCC(CCO)(NC(=O)CCCc2ccc(Br)cc2)CC1 ZINC000901347197 663734401 /nfs/dbraw/zinc/73/44/01/663734401.db2.gz VTFNBHSESWPRGZ-UHFFFAOYSA-N 1 0 383.330 2.735 20 0 GFADRO C[C@H](NC(=O)CN1CSCCSC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000901359355 663734595 /nfs/dbraw/zinc/73/45/95/663734595.db2.gz DWOXUFSZWGZDCI-WMZOPIPTSA-N 1 0 379.595 2.710 20 0 GFADRO C[C@@H](Sc1nc(CO)cs1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000901689036 663742194 /nfs/dbraw/zinc/74/21/94/663742194.db2.gz YNBYSXVGAAEZBM-UKRRQHHQSA-N 1 0 377.535 2.507 20 0 GFADRO Cc1ccc(CNC(=O)[C@H](C)[NH2+][C@@H]2CCc3ncc(Br)n3C2)cc1 ZINC000901728392 663743808 /nfs/dbraw/zinc/74/38/08/663743808.db2.gz MJZPADQYFBRPJA-DZGCQCFKSA-N 1 0 391.313 2.563 20 0 GFADRO CCN(C(=O)[C@H](C)[NH2+][C@H]1CCc2ncc(Br)n2C1)c1ccccc1 ZINC000901731256 663744104 /nfs/dbraw/zinc/74/41/04/663744104.db2.gz ZQEHOFDYYIBOIW-KBPBESRZSA-N 1 0 391.313 2.992 20 0 GFADRO C[C@@H]([NH2+][C@@H]1CCc2ncc(Br)n2C1)C(=O)NCCC1=CCCCC1 ZINC000901730900 663744121 /nfs/dbraw/zinc/74/41/21/663744121.db2.gz YLHCPIQCVVLKME-UKRRQHHQSA-N 1 0 395.345 2.945 20 0 GFADRO O=C([O-])C[NH+]1CCC([NH2+]CC2(Cc3ccc(Br)cc3)CC2)CC1 ZINC000902477971 663761863 /nfs/dbraw/zinc/76/18/63/663761863.db2.gz VCYDCVZKVYEMKB-UHFFFAOYSA-N 1 0 381.314 2.910 20 0 GFADRO CC[NH+]1CCC(NC(=O)Cn2cc(-c3ccc(Br)cc3)cn2)CC1 ZINC000902489628 663761983 /nfs/dbraw/zinc/76/19/83/663761983.db2.gz DDJFMQADFVFKHL-UHFFFAOYSA-N 1 0 391.313 2.913 20 0 GFADRO C[N@@H+]1C[C@@H]2CN(CN3CC[C@@H](c4cccc(Br)c4)C3=O)C[C@]2(C)C1 ZINC000902616817 663764546 /nfs/dbraw/zinc/76/45/46/663764546.db2.gz IQSUIERFAUYEAI-AYBZRNKSSA-N 1 0 392.341 2.606 20 0 GFADRO C[C@@H]([NH2+]C1CCN(Cc2cccc(Br)c2)CC1)c1cn(C)nn1 ZINC000903026228 663771350 /nfs/dbraw/zinc/77/13/50/663771350.db2.gz XDIWGSXVXVPQRE-CYBMUJFWSA-N 1 0 378.318 2.893 20 0 GFADRO CCC(=O)N1CC[C@H]([NH2+][C@H](C)c2cccc(S(=O)(=O)C(F)(F)F)c2)C1 ZINC000903112905 663774180 /nfs/dbraw/zinc/77/41/80/663774180.db2.gz KLJYRWIPBDHXQV-YPMHNXCESA-N 1 0 378.416 2.642 20 0 GFADRO C[C@@H](CC(=O)Nc1cccnc1Cl)[NH2+]CC1CCC(S(C)(=O)=O)CC1 ZINC000903156435 663776360 /nfs/dbraw/zinc/77/63/60/663776360.db2.gz TXAVTQBBUIIFBA-HSBZDZAISA-N 1 0 387.933 2.645 20 0 GFADRO C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CC[C@@H]1CC(=O)N(C)C1 ZINC000903218226 663778766 /nfs/dbraw/zinc/77/87/66/663778766.db2.gz KDCDYGQNQWBCFM-QWHCGFSZSA-N 1 0 382.302 2.624 20 0 GFADRO CS(C)(=O)=NS(=O)(=O)CC[NH2+][C@@H]1CCC[C@@H]1Cc1ccc(Cl)cc1 ZINC000903227551 663779211 /nfs/dbraw/zinc/77/92/11/663779211.db2.gz UCBHCUNNZKVBTN-GDBMZVCRSA-N 1 0 392.974 2.698 20 0 GFADRO C[C@H]([NH2+]C[C@H]1CCCC[C@@H]1NS(C)(=O)=O)c1ccc(C(F)(F)F)cn1 ZINC000903232334 663779861 /nfs/dbraw/zinc/77/98/61/663779861.db2.gz WACKTHABKBEONJ-ZOWXZIJZSA-N 1 0 379.448 2.859 20 0 GFADRO CO[C@@]1(C[NH2+][C@H](c2ccc(Br)s2)C2CC2)CCS(=O)(=O)C1 ZINC000903362090 663782543 /nfs/dbraw/zinc/78/25/43/663782543.db2.gz CPXTZGALENDKGN-UONOGXRCSA-N 1 0 394.356 2.755 20 0 GFADRO CO[C@@]1(C[NH2+][C@H](C)c2cc(Br)ccc2C)CCS(=O)(=O)C1 ZINC000903363214 663782670 /nfs/dbraw/zinc/78/26/70/663782670.db2.gz MPIOEVSSTVMJRY-IUODEOHRSA-N 1 0 376.316 2.612 20 0 GFADRO CO[C@@]1(C[NH2+][C@H](c2ccc(Br)cc2)C2CC2)CCS(=O)(=O)C1 ZINC000903367095 663783256 /nfs/dbraw/zinc/78/32/56/663783256.db2.gz XGKSTUVZEADHTR-JKSUJKDBSA-N 1 0 388.327 2.694 20 0 GFADRO O=c1ccn(CCC[NH2+][C@H](Cc2ccccc2Br)C2CC2)c(=O)[nH]1 ZINC000903430719 663784424 /nfs/dbraw/zinc/78/44/24/663784424.db2.gz ZMUYOLQDPBKQTD-MRXNPFEDSA-N 1 0 392.297 2.712 20 0 GFADRO COC(=O)C1CC2(C1)C[C@H]([NH2+][C@@H](C)c1ccc(Cl)s1)CCS2(=O)=O ZINC000903451869 663784995 /nfs/dbraw/zinc/78/49/95/663784995.db2.gz IRZOUYIURIQDQB-BYHRKAOISA-N 1 0 391.942 2.951 20 0 GFADRO C[C@H]([NH2+][C@H]1CCc2ncc(Br)n2C1)C1(NC(=O)OC(C)(C)C)CC1 ZINC000903480111 663785520 /nfs/dbraw/zinc/78/55/20/663785520.db2.gz NZHPENWISAHEBC-RYUDHWBXSA-N 1 0 399.333 2.996 20 0 GFADRO O=S(=O)(Cc1cccc(Cl)c1Br)NCCC1CC[NH2+]CC1 ZINC000903521902 663787022 /nfs/dbraw/zinc/78/70/22/663787022.db2.gz HMELIBIXHQGZJH-UHFFFAOYSA-N 1 0 395.750 2.912 20 0 GFADRO O=S(=O)(N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)c1ccc2ccccc2c1Br ZINC000903563245 663788895 /nfs/dbraw/zinc/78/88/95/663788895.db2.gz VPRMLBVUOSGCSK-KWCYVHTRSA-N 1 0 381.295 2.774 20 0 GFADRO [NH3+][C@@H]1CN(S(=O)(=O)/C=C\c2ccccc2Br)C[C@H]1C(F)(F)F ZINC000903570405 663788989 /nfs/dbraw/zinc/78/89/89/663788989.db2.gz GMKSEQNFBJWQDG-FNSKHJIESA-N 1 0 399.232 2.571 20 0 GFADRO O=S(=O)(N[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc(Cl)cc1 ZINC000903573141 663789464 /nfs/dbraw/zinc/78/94/64/663789464.db2.gz GEERZEWZVSKQME-FUHWJXTLSA-N 1 0 378.881 2.874 20 0 GFADRO [NH3+][C@@H]1CN(S(=O)(=O)c2ccc(F)c(C(F)F)c2)CC[C@@H]1C(F)(F)F ZINC000903581627 663790471 /nfs/dbraw/zinc/79/04/71/663790471.db2.gz ORSALSMIQMHHKR-GXSJLCMTSA-N 1 0 376.322 2.664 20 0 GFADRO [NH3+]C[C@@]12CC[C@@H]1CCN2S(=O)(=O)c1oc2ccccc2c1Br ZINC000903587296 663790687 /nfs/dbraw/zinc/79/06/87/663790687.db2.gz ZCJWFWVHRZLDAX-BMIGLBTASA-N 1 0 385.283 2.697 20 0 GFADRO O=S(=O)(c1ccc(Br)cc1Cl)N1CCC[C@]12CC[NH2+]C2 ZINC000903596035 663791417 /nfs/dbraw/zinc/79/14/17/663791417.db2.gz OEKNXPSACPKVEM-CYBMUJFWSA-N 1 0 379.707 2.619 20 0 GFADRO Brc1cc2c(cc1CN1CC[NH2+]CCC13CCOCC3)OCO2 ZINC000903816297 663807573 /nfs/dbraw/zinc/80/75/73/663807573.db2.gz WGNOCCCCLYPCQP-UHFFFAOYSA-N 1 0 383.286 2.522 20 0 GFADRO COCC[C@H]1C[NH2+]CCN1CC(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000903831678 663807862 /nfs/dbraw/zinc/80/78/62/663807862.db2.gz WBYBFBCBMVZRAX-LBPRGKRZSA-N 1 0 379.810 2.608 20 0 GFADRO [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1nc(Cc3cccc(Br)c3)no1)C2 ZINC000903843359 663808617 /nfs/dbraw/zinc/80/86/17/663808617.db2.gz JILAJNYJJBYEAX-QEJZJMRPSA-N 1 0 377.286 2.735 20 0 GFADRO Cc1c(C[C@@H](C[NH3+])CN2CCC[C@@H]2c2ccc(Br)cn2)cnn1C ZINC000903930220 663812271 /nfs/dbraw/zinc/81/22/71/663812271.db2.gz VECGDKYCCYZCEV-KBXCAEBGSA-N 1 0 392.345 2.841 20 0 GFADRO [NH3+][C@H]1CN(Cc2nc3ccccn3c2Br)CC[C@@H]1C(F)(F)F ZINC000903984117 663815276 /nfs/dbraw/zinc/81/52/76/663815276.db2.gz PHMJDFUQPDVZIE-UWVGGRQHSA-N 1 0 377.208 2.808 20 0 GFADRO [NH3+]C[C@H]1C[C@H](NC(=O)Nc2ccc(I)cc2Cl)C1 ZINC000904287266 663830138 /nfs/dbraw/zinc/83/01/38/663830138.db2.gz RWPPHHJXKUEPQM-XWEPSHTISA-N 1 0 379.629 2.803 20 0 GFADRO [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)Nc1ccc(F)cc1I)C2 ZINC000904365137 663831744 /nfs/dbraw/zinc/83/17/44/663831744.db2.gz WZIGRGSCJIWBGB-LSJOCFKGSA-N 1 0 389.212 2.774 20 0 GFADRO COC(=O)c1cc(Br)ccc1NC(=O)N1CC[C@@H]2CC[C@]21C[NH3+] ZINC000904389078 663832057 /nfs/dbraw/zinc/83/20/57/663832057.db2.gz GRJMOYPSBVQLAN-QFYYESIMSA-N 1 0 382.258 2.581 20 0 GFADRO COC(=O)c1cccc(NC(=O)N2CCC[C@@]23CC[NH2+]C3)c1Br ZINC000904448594 663834789 /nfs/dbraw/zinc/83/47/89/663834789.db2.gz CBHFTRISIYRMIW-INIZCTEOSA-N 1 0 382.258 2.596 20 0 GFADRO COCC[C@H]1C[NH2+]CCN1C(=O)Nc1cc2c(cc1Br)CCC2 ZINC000904449792 663835055 /nfs/dbraw/zinc/83/50/55/663835055.db2.gz NPVJYIRKLJYSBD-AWEZNQCLSA-N 1 0 382.302 2.780 20 0 GFADRO COCC[C@@H]1C[NH2+]CCN1C(=O)Nc1cc2c(cc1Br)CCC2 ZINC000904449793 663835098 /nfs/dbraw/zinc/83/50/98/663835098.db2.gz NPVJYIRKLJYSBD-CQSZACIVSA-N 1 0 382.302 2.780 20 0 GFADRO COC(=O)c1cc(NC(=O)N[C@@H]2C[NH2+]CC2(C)C)c(C)cc1Br ZINC000904482788 663835664 /nfs/dbraw/zinc/83/56/64/663835664.db2.gz FUUOVEQCZOVHQD-CYBMUJFWSA-N 1 0 384.274 2.664 20 0 GFADRO COCCOc1ccc(NC(=O)N[C@@]23CCC[C@@H]2[NH2+]CC3)cc1Br ZINC000904547134 663837241 /nfs/dbraw/zinc/83/72/41/663837241.db2.gz CAPZRHDDZUSTND-DOTOQJQBSA-N 1 0 398.301 2.880 20 0 GFADRO COCCOc1ccc(NC(=O)N(C)C2CC[NH2+]CC2)cc1Br ZINC000904550129 663837501 /nfs/dbraw/zinc/83/75/01/663837501.db2.gz BHHPCBTXNAIRRY-UHFFFAOYSA-N 1 0 386.290 2.690 20 0 GFADRO Cc1cc(-c2noc([C@@H]3CCCN(CC[NH3+])C3=O)n2)cc(C)c1Br ZINC000904693274 663841194 /nfs/dbraw/zinc/84/11/94/663841194.db2.gz WXWQSUHHZFNDNJ-ZDUSSCGKSA-N 1 0 393.285 2.781 20 0 GFADRO Ic1ccc(OCc2noc(C34CCC(CC3)[NH2+]4)n2)cc1 ZINC000904707613 663841651 /nfs/dbraw/zinc/84/16/51/663841651.db2.gz ITJYPJMYXAZAQZ-UHFFFAOYSA-N 1 0 397.216 2.994 20 0 GFADRO CON1CC[C@H]([NH2+][C@H](Cc2ccccn2)c2ccc(Br)cc2)C1=O ZINC000905004477 663849230 /nfs/dbraw/zinc/84/92/30/663849230.db2.gz MGZXIFBLYBZVID-DLBZAZTESA-N 1 0 390.281 2.880 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)C[NH2+]C[C@H](O)CC1(O)CCCCC1 ZINC000905028188 663849970 /nfs/dbraw/zinc/84/99/70/663849970.db2.gz YDKXPCAIKWTSOB-OAHLLOKOSA-N 1 0 399.329 2.732 20 0 GFADRO O[C@H](CCC1(O)CCC1)C[NH2+]CCc1ccc(I)s1 ZINC000905084806 663851903 /nfs/dbraw/zinc/85/19/03/663851903.db2.gz UOBOKEXOEPXKNM-LLVKDONJSA-N 1 0 395.306 2.541 20 0 GFADRO OCC1(C[C@@H](O)C[NH2+][C@H]2CCN(c3ccc(Br)cc3)C2)CCCC1 ZINC000905095888 663852832 /nfs/dbraw/zinc/85/28/32/663852832.db2.gz HFLWULPJSDLDMD-FUHWJXTLSA-N 1 0 397.357 2.921 20 0 GFADRO CC(C)(C)NS(=O)(=O)C1([C@H](O)C[NH2+]CC(C)(C)c2cccs2)CCC1 ZINC000905116795 663853834 /nfs/dbraw/zinc/85/38/34/663853834.db2.gz JAIMWLFKNSOYIB-CQSZACIVSA-N 1 0 388.599 2.617 20 0 GFADRO C[C@H]1C[C@@H]([NH2+]C[C@@H](O)c2ccc(Cl)c(Cl)c2)C(=O)N1c1cnn(C)c1 ZINC000905144449 663855208 /nfs/dbraw/zinc/85/52/08/663855208.db2.gz JFKWGVYASWZELO-AMKSKSKJSA-N 1 0 383.279 2.544 20 0 GFADRO O[C@H](C[NH2+]CCOc1c(Cl)cc(Cl)cc1Cl)C[C@]1(O)CCOC1 ZINC000905151420 663855574 /nfs/dbraw/zinc/85/55/74/663855574.db2.gz ASKSOBKCNRWNQP-XHDPSFHLSA-N 1 0 384.687 2.518 20 0 GFADRO CC(C)(C)NS(=O)(=O)C1([C@@H](O)C[NH2+][C@H]2CCCc3sccc32)CCC1 ZINC000905216696 663859749 /nfs/dbraw/zinc/85/97/49/663859749.db2.gz TYCOROAHROFLSN-HOCLYGCPSA-N 1 0 386.583 2.717 20 0 GFADRO Cn1nccc1[C@H]1C[C@H]([NH2+]C[C@H](O)c2ccc(Br)cc2)CCO1 ZINC000905281422 663863768 /nfs/dbraw/zinc/86/37/68/663863768.db2.gz UWIAFZVHUPHRKX-HYVNUMGLSA-N 1 0 380.286 2.726 20 0 GFADRO C[C@@H]1Cc2ccc(Br)cc2CN1S(=O)(=O)CC1CC[NH2+]CC1 ZINC000905342699 663866490 /nfs/dbraw/zinc/86/64/90/663866490.db2.gz KJEQOTJTRYWVLS-GFCCVEGCSA-N 1 0 387.343 2.525 20 0 GFADRO COc1ncc(Br)cc1C[NH2+]C[C@@H](O)CC[C@H](O)c1ccccc1 ZINC000905386530 663868928 /nfs/dbraw/zinc/86/89/28/663868928.db2.gz UHRSCPCAZCNOCW-IRXDYDNUSA-N 1 0 395.297 2.817 20 0 GFADRO O[C@H](C[NH2+]CCc1cc(Cl)cc(Br)c1)CC1(O)CCOCC1 ZINC000905417469 663870591 /nfs/dbraw/zinc/87/05/91/663870591.db2.gz HNZLPKXJQTYZAV-HNNXBMFYSA-N 1 0 392.721 2.527 20 0 GFADRO O=C1NCCN1c1ccc(C[NH2+]C[C@@H](O)c2cccc(Br)c2)cc1 ZINC000905421732 663870835 /nfs/dbraw/zinc/87/08/35/663870835.db2.gz ZMVKQBINHQGGHU-QGZVFWFLSA-N 1 0 390.281 2.802 20 0 GFADRO CO[C@]1(C[NH2+]C[C@@](C)(O)c2ccc(Br)cc2F)CCSC1 ZINC000905546128 663877692 /nfs/dbraw/zinc/87/76/92/663877692.db2.gz IIFVLBUYEMPXEF-CABCVRRESA-N 1 0 378.307 2.907 20 0 GFADRO CN(Cc1ccc(Cl)s1)C(=O)COc1cccc(N2CC[NH2+]CC2)c1 ZINC000905613837 663881300 /nfs/dbraw/zinc/88/13/00/663881300.db2.gz LVWKDPZUBXOZDL-UHFFFAOYSA-N 1 0 379.913 2.849 20 0 GFADRO O=C(C[C@@H](O)C(Cl)(Cl)Cl)NCc1ccccc1Cn1ccnc1 ZINC000905701813 663887515 /nfs/dbraw/zinc/88/75/15/663887515.db2.gz RUOIOWRVGFVFEI-CYBMUJFWSA-N 1 0 376.671 2.669 20 0 GFADRO CC(C)[NH2+]Cc1cn(Cc2nc(-c3ccc(Br)s3)no2)nn1 ZINC000905802668 663892924 /nfs/dbraw/zinc/89/29/24/663892924.db2.gz AEXODGVTIVUYJO-UHFFFAOYSA-N 1 0 383.275 2.698 20 0 GFADRO CC[C@](O)(Cn1cc([C@@H]([NH3+])c2ccc(Br)cc2)nn1)C(F)(F)F ZINC000905827779 663894119 /nfs/dbraw/zinc/89/41/19/663894119.db2.gz KKWNRPMKDIXFOH-STQMWFEESA-N 1 0 393.207 2.792 20 0 GFADRO O=C(NC1CC[NH+](CC2CC2)CC1)c1cccn2ncc(Br)c12 ZINC000906325103 663938177 /nfs/dbraw/zinc/93/81/77/663938177.db2.gz BKNCEPLFCCZCJV-UHFFFAOYSA-N 1 0 377.286 2.701 20 0 GFADRO C[C@H](CNC(=O)c1nscc1I)C[NH+]1CCCCC1 ZINC000906344348 663939025 /nfs/dbraw/zinc/93/90/25/663939025.db2.gz OYVHKMQUVHPDJK-SNVBAGLBSA-N 1 0 393.294 2.600 20 0 GFADRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1cc(Br)cn(C2CC2)c1=O ZINC000906388237 663944448 /nfs/dbraw/zinc/94/44/48/663944448.db2.gz BMTOFEGMLYZKDG-OLZOCXBDSA-N 1 0 396.329 2.796 20 0 GFADRO CC[N@@H+]1CCC[C@H](CNC(=O)C(F)(F)c2ncccc2Br)C1 ZINC000906448008 663948817 /nfs/dbraw/zinc/94/88/17/663948817.db2.gz JYUCQLDYPZDNES-LLVKDONJSA-N 1 0 376.245 2.784 20 0 GFADRO C[NH+](C)C[C@@H]1CCCN1C(=O)c1ccc(Cn2cc(Br)cn2)s1 ZINC000906523411 663955710 /nfs/dbraw/zinc/95/57/10/663955710.db2.gz HUXFUUCBBKIAKE-ZDUSSCGKSA-N 1 0 397.342 2.922 20 0 GFADRO C[N@@H+]1CCC[C@@H](NC(=O)c2ccc(Cn3cc(Br)cn3)s2)C1 ZINC000906585013 663959986 /nfs/dbraw/zinc/95/99/86/663959986.db2.gz NZOXQPVGBQYUCU-GFCCVEGCSA-N 1 0 383.315 2.579 20 0 GFADRO CO[C@H](C(=O)N(C)C[C@H]1CCC[N@H+](C)C1)c1ccc(Br)s1 ZINC000906710588 663966165 /nfs/dbraw/zinc/96/61/65/663966165.db2.gz OJZSNHJBTRPGTC-FZMZJTMJSA-N 1 0 375.332 2.998 20 0 GFADRO [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C2 ZINC000906756256 663968729 /nfs/dbraw/zinc/96/87/29/663968729.db2.gz UFYJGVADRLYSMC-NGZCFLSTSA-N 1 0 375.778 2.636 20 0 GFADRO O=C(Nc1ccc(Cl)cc1C(F)(F)F)C(=O)N1CCC[C@]12CC[NH2+]C2 ZINC000906764636 663969164 /nfs/dbraw/zinc/96/91/64/663969164.db2.gz FRCVSEUJEALWKA-OAHLLOKOSA-N 1 0 375.778 2.652 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc(Br)cn(C3CC3)c2=O)C[C@H]1C ZINC000906783261 663970634 /nfs/dbraw/zinc/97/06/34/663970634.db2.gz YHYWZFVYDGUVLO-DOMZBBRYSA-N 1 0 396.329 2.891 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2nscc2I)[C@H](C)C1 ZINC000906789061 663970854 /nfs/dbraw/zinc/97/08/54/663970854.db2.gz FLISQJAZPIOADM-KOLCDFICSA-N 1 0 393.294 2.550 20 0 GFADRO CC[NH+](CC)C[C@@H]1CCN(C(=O)c2nscc2I)C1 ZINC000906839857 663975515 /nfs/dbraw/zinc/97/55/15/663975515.db2.gz FBMQTEUQSWXQOK-JTQLQIEISA-N 1 0 393.294 2.552 20 0 GFADRO O=S(=O)(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1c[nH]c2c1cccc2Br ZINC000906846119 663976298 /nfs/dbraw/zinc/97/62/98/663976298.db2.gz OMTMRNQFVPNFCE-NEPJUHHUSA-N 1 0 398.326 2.836 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)c2cc(Br)cn(C3CC3)c2=O)C1 ZINC000906916590 663981999 /nfs/dbraw/zinc/98/19/99/663981999.db2.gz RHLONHWIPBWFEV-TZMCWYRMSA-N 1 0 382.302 2.548 20 0 GFADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc(Br)cn(C2CC2)c1=O ZINC000906929304 663983028 /nfs/dbraw/zinc/98/30/28/663983028.db2.gz XYJQAZBRBNNITN-CABCVRRESA-N 1 0 394.313 2.645 20 0 GFADRO C[NH+]1CCC([C@@H]2CCN(S(=O)(=O)c3c[nH]c4ncc(Cl)cc34)C2)CC1 ZINC000907074189 663999821 /nfs/dbraw/zinc/99/98/21/663999821.db2.gz PLFYVEWCFJCKLU-CYBMUJFWSA-N 1 0 382.917 2.569 20 0 GFADRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)C[C@@H](O)C(Cl)(Cl)Cl)CC1 ZINC000907102108 664002020 /nfs/dbraw/zinc/00/20/20/664002020.db2.gz SEMSNZAOBXGZOK-BXUZGUMPSA-N 1 0 394.730 2.844 20 0 GFADRO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)S(=O)(=O)CC[C@@H]3CCCO3)C2)s1 ZINC000907344177 664025827 /nfs/dbraw/zinc/02/58/27/664025827.db2.gz CQHCEBRLEDEQEH-IRXDYDNUSA-N 1 0 386.583 2.709 20 0 GFADRO Cc1ccc(C[N@H+]2CC[C@H](CN(C)S(=O)(=O)c3cccnc3F)C2)s1 ZINC000907346999 664026378 /nfs/dbraw/zinc/02/63/78/664026378.db2.gz QZASTPGZHFSLQC-CQSZACIVSA-N 1 0 383.514 2.733 20 0 GFADRO CS(=O)(=O)c1ccc(CNC(=O)c2ccc(NC3=[NH+]CCC3)cc2)s1 ZINC000907652157 664050423 /nfs/dbraw/zinc/05/04/23/664050423.db2.gz UONVUNVBEMVTNR-UHFFFAOYSA-N 1 0 377.491 2.686 20 0 GFADRO O=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)c1cc(Br)cn(C2CC2)c1=O ZINC000907762233 664059978 /nfs/dbraw/zinc/05/99/78/664059978.db2.gz IZCOLONMCWSGLV-HNNXBMFYSA-N 1 0 394.313 2.692 20 0 GFADRO O=C(Nc1cc(Br)cc(C(=O)N2CCCC2)c1)C12CC[NH+](CC1)C2 ZINC000907861746 664066941 /nfs/dbraw/zinc/06/69/41/664066941.db2.gz XZYPCLFIFULCFZ-UHFFFAOYSA-N 1 0 392.297 2.719 20 0 GFADRO CC(C)[NH+]1CCN(CCCC(=O)N[C@@H](C)c2ccc(Br)cn2)CC1 ZINC000907893786 664069203 /nfs/dbraw/zinc/06/92/03/664069203.db2.gz KKFXGNLPXAJGSI-HNNXBMFYSA-N 1 0 397.361 2.828 20 0 GFADRO C[C@@H]1[C@H](NC(=O)Cc2c(Br)cnn2C)CC[N@@H+]1Cc1ccccc1 ZINC000908229565 664093239 /nfs/dbraw/zinc/09/32/39/664093239.db2.gz IMJGOTIBOHXACL-CZUORRHYSA-N 1 0 391.313 2.504 20 0 GFADRO O=C(N[C@@H](c1nccs1)C(F)(F)F)C1CCC([NH+]2CCOCC2)CC1 ZINC000908429240 664105923 /nfs/dbraw/zinc/10/59/23/664105923.db2.gz YKQAVPPOSPXSRK-BPCQOVAHSA-N 1 0 377.432 2.754 20 0 GFADRO O=S(=O)(N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1)c1ccns1 ZINC000908496367 664110647 /nfs/dbraw/zinc/11/06/47/664110647.db2.gz GELSLTQLOJFHJD-IXDOHACOSA-N 1 0 377.535 2.722 20 0 GFADRO C[NH+](C)CCn1nccc1C(=O)N1CCC[C@@H]1c1ccc(Br)cn1 ZINC000909571183 664163541 /nfs/dbraw/zinc/16/35/41/664163541.db2.gz LEMWOWMSCQLXLX-OAHLLOKOSA-N 1 0 392.301 2.580 20 0 GFADRO Cc1cc(C[NH+](C)C)ccc1NC(=O)c1nn(C)cc1I ZINC000909592077 664164450 /nfs/dbraw/zinc/16/44/50/664164450.db2.gz OISLALVURSFESJ-UHFFFAOYSA-N 1 0 398.248 2.647 20 0 GFADRO CC[N@@H+]1CCCN(C(=O)[C@]2(C)CC2(Br)Br)[C@@H](C)C1 ZINC000910268013 664204080 /nfs/dbraw/zinc/20/40/80/664204080.db2.gz VPFYHHMEIBBYDM-JQWIXIFHSA-N 1 0 382.140 2.825 20 0 GFADRO CC[N@@H+]1CCCN(C(=O)c2ccc(Br)cc2-n2cncn2)[C@H](C)C1 ZINC000910279850 664204308 /nfs/dbraw/zinc/20/43/08/664204308.db2.gz DDPWMLPCOKBAMY-CYBMUJFWSA-N 1 0 392.301 2.586 20 0 GFADRO CC(C)(CNC(=O)C(=O)N1CC[C@H](CC[NH3+])C1)c1ccc(Cl)c(Cl)c1 ZINC000911155807 664236806 /nfs/dbraw/zinc/23/68/06/664236806.db2.gz LYQNKPTXDNBGST-LBPRGKRZSA-N 1 0 386.323 2.585 20 0 GFADRO C[NH+](C)C1CCC(NC(=O)c2cc(Br)cn(C3CC3)c2=O)CC1 ZINC000911193155 664238228 /nfs/dbraw/zinc/23/82/28/664238228.db2.gz JXGDJSLBLYTNQE-UHFFFAOYSA-N 1 0 382.302 2.548 20 0 GFADRO CCCN(C(=O)C(F)(F)c1ncccc1Br)[C@@H]1CC[N@H+](C)C1 ZINC000911512169 664247400 /nfs/dbraw/zinc/24/74/00/664247400.db2.gz OGSQITPIKPINOZ-LLVKDONJSA-N 1 0 376.245 2.879 20 0 GFADRO O=C(NCC[C@@H]1CC[NH2+]C1)c1c(Cl)ccc(I)c1F ZINC000911766074 664256105 /nfs/dbraw/zinc/25/61/05/664256105.db2.gz FNKDOSSVQUGSGK-QMMMGPOBSA-N 1 0 396.631 2.813 20 0 GFADRO [NH3+]CC1(NC(=O)c2cc(Br)cnc2Br)CCCC1 ZINC000911800530 664256599 /nfs/dbraw/zinc/25/65/99/664256599.db2.gz RSHJPEOQCANLEJ-UHFFFAOYSA-N 1 0 377.080 2.608 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)c2cc(Br)cnc2Br)C1 ZINC000911824389 664257537 /nfs/dbraw/zinc/25/75/37/664257537.db2.gz NSOFNHTUXFIUKN-BDAKNGLRSA-N 1 0 391.107 2.806 20 0 GFADRO C[C@@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(I)cc1 ZINC000911857611 664259322 /nfs/dbraw/zinc/25/93/22/664259322.db2.gz ZUKCTRRYKRKHDY-DFBGVHRSSA-N 1 0 384.261 2.748 20 0 GFADRO C[C@@H](CC[NH+]1CCN(C)CC1)Nc1ccc(-c2nnc(Br)o2)cc1 ZINC000912055930 664268676 /nfs/dbraw/zinc/26/86/76/664268676.db2.gz IOOIOBSZMSUFCW-ZDUSSCGKSA-N 1 0 394.317 2.937 20 0 GFADRO O=C(N[C@H]1CCC[N@@H+]2CCCC[C@H]12)c1cc(Br)cn(C2CC2)c1=O ZINC000912065960 664269254 /nfs/dbraw/zinc/26/92/54/664269254.db2.gz PALQKQZXANJBNE-JKSUJKDBSA-N 1 0 394.313 2.692 20 0 GFADRO [NH3+]CCN1CCC[C@@H](C(=O)N(Cc2cccs2)Cc2cccs2)C1=O ZINC000912084592 664269776 /nfs/dbraw/zinc/26/97/76/664269776.db2.gz XIIBGBPCXKDEJQ-MRXNPFEDSA-N 1 0 377.535 2.536 20 0 GFADRO COc1ccc(-c2csc(NC(=O)C[C@@]3(O)CCC[NH2+]C3)n2)cc1Cl ZINC000912091617 664270147 /nfs/dbraw/zinc/27/01/47/664270147.db2.gz SMBZGZONDKPAIM-KRWDZBQOSA-N 1 0 381.885 2.915 20 0 GFADRO [NH3+][C@H](CC(=O)NC[C@H](O)c1ccccc1F)Cc1ccc(Br)cc1 ZINC000912367776 664283873 /nfs/dbraw/zinc/28/38/73/664283873.db2.gz GFYUOTFYRIADLN-YOEHRIQHSA-N 1 0 395.272 2.698 20 0 GFADRO C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N[C@@]1(C)C[NH+]2CCC1CC2 ZINC000912376928 664284160 /nfs/dbraw/zinc/28/41/60/664284160.db2.gz AZEHKUZELRMLIA-VOJFVSQTSA-N 1 0 384.307 2.712 20 0 GFADRO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)c1nscc1I ZINC000912521664 664291832 /nfs/dbraw/zinc/29/18/32/664291832.db2.gz DTLCCYMTTDTVLU-SNVBAGLBSA-N 1 0 393.294 2.598 20 0 GFADRO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)c1nscc1I ZINC000912521663 664291849 /nfs/dbraw/zinc/29/18/49/664291849.db2.gz DTLCCYMTTDTVLU-JTQLQIEISA-N 1 0 393.294 2.598 20 0 GFADRO Cc1ccc(Br)cc1CC(=O)N1CCC(CO)([NH2+]CC(C)C)CC1 ZINC000912585662 664293852 /nfs/dbraw/zinc/29/38/52/664293852.db2.gz DKEZABWJEHFJAM-UHFFFAOYSA-N 1 0 397.357 2.899 20 0 GFADRO C[NH+](C)[C@H]1C[C@@H](NC(=O)c2cc(Br)cn(C3CC3)c2=O)C12CCC2 ZINC000912603612 664294411 /nfs/dbraw/zinc/29/44/11/664294411.db2.gz VQYIIDXAYZPKSY-CABCVRRESA-N 1 0 394.313 2.548 20 0 GFADRO C[C@@H]1CCC[C@H](CC[NH+](C)C)N1C(=O)c1c(Br)nc2n1CCC2 ZINC000912647956 664295883 /nfs/dbraw/zinc/29/58/83/664295883.db2.gz CALSENMSTZMJLG-CHWSQXEVSA-N 1 0 383.334 2.927 20 0 GFADRO CC(C)[N@H+](C)CC(=O)N[C@H](c1nccn1C)c1ccc(Br)cc1 ZINC000912679241 664297708 /nfs/dbraw/zinc/29/77/08/664297708.db2.gz UHRWNQHCINBUKD-INIZCTEOSA-N 1 0 379.302 2.728 20 0 GFADRO O=C(Cc1cccc(I)c1)N1CCC([NH+]2CCC2)CC1 ZINC000912877240 664307124 /nfs/dbraw/zinc/30/71/24/664307124.db2.gz WQBGBCUZLVASDH-UHFFFAOYSA-N 1 0 384.261 2.530 20 0 GFADRO CC(C)CNC(=O)C1CC[NH+](C[C@H](O)c2cccc(Br)c2)CC1 ZINC000913145361 664326055 /nfs/dbraw/zinc/32/60/55/664326055.db2.gz WAVXQRZAEHZUHB-KRWDZBQOSA-N 1 0 383.330 2.967 20 0 GFADRO C[NH+](C)C[C@@H](NC(=O)CC1(O)CCOCC1)c1ccc(Cl)c(Cl)c1 ZINC000913159819 664326749 /nfs/dbraw/zinc/32/67/49/664326749.db2.gz RFJYKLSMQCQLHF-OAHLLOKOSA-N 1 0 375.296 2.644 20 0 GFADRO C[NH+]1C[C@@]2(C)CN(C(=O)c3cc(Br)c4nccn4c3)C[C@]2(C)C1 ZINC000913270428 664330639 /nfs/dbraw/zinc/33/06/39/664330639.db2.gz YBHNKRDNZZIIAP-IRXDYDNUSA-N 1 0 377.286 2.511 20 0 GFADRO C[NH+]1C[C@@]2(C)CN(C(=O)c3nc(Br)sc3Cl)C[C@]2(C)C1 ZINC000913274394 664330736 /nfs/dbraw/zinc/33/07/36/664330736.db2.gz LQJZXBJDCJLVRB-STQMWFEESA-N 1 0 378.723 2.973 20 0 GFADRO C[NH+]1C[C@]2(C)CN(C(=O)c3cnc4ncc(Br)cc4c3)C[C@@]2(C)C1 ZINC000913281932 664331413 /nfs/dbraw/zinc/33/14/13/664331413.db2.gz VCBWNFPDZBSEBM-QZTJIDSGSA-N 1 0 389.297 2.806 20 0 GFADRO CN1C[C@H]2CC[C@@H](C1)N2C(=O)c1nc(Br)ccc1Br ZINC000913534936 664342622 /nfs/dbraw/zinc/34/26/22/664342622.db2.gz QGBCPEVFAPJIST-DTORHVGOSA-N 1 0 389.091 2.525 20 0 GFADRO O=C(Cc1ccc(Br)c(Br)c1)NC12CC[NH+](CC1)C2 ZINC000913636355 664347136 /nfs/dbraw/zinc/34/71/36/664347136.db2.gz CKWSYUAYSQZFRI-UHFFFAOYSA-N 1 0 388.103 2.719 20 0 GFADRO O=S(=O)(C[C@@]12CC[N@H+](C1)CCC2)NCCc1nc2cc(Cl)ccc2s1 ZINC000913875364 664362722 /nfs/dbraw/zinc/36/27/22/664362722.db2.gz TUWBZEJYPRBMAF-KRWDZBQOSA-N 1 0 399.969 2.898 20 0 GFADRO C[C@H](Cn1ccnc1)NS(=O)(=O)Cc1cccc(Cl)c1Br ZINC000913927242 664366010 /nfs/dbraw/zinc/36/60/10/664366010.db2.gz YONJJUPBONSUNQ-SNVBAGLBSA-N 1 0 392.706 2.807 20 0 GFADRO C[N@H+](CCCNC(=O)NCc1cnc(Br)cn1)Cc1ccccc1 ZINC000913939654 664367450 /nfs/dbraw/zinc/36/74/50/664367450.db2.gz XQCVRYPCDSJDBX-UHFFFAOYSA-N 1 0 392.301 2.560 20 0 GFADRO CC[N@@H+]1CCC[C@H](CNS(=O)(=O)Cc2cccc(F)c2Br)C1 ZINC000914026206 664372585 /nfs/dbraw/zinc/37/25/85/664372585.db2.gz SMOGAEXKCBKCOH-GFCCVEGCSA-N 1 0 393.322 2.740 20 0 GFADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)NCc2cnc(Br)cn2)C1 ZINC000914102689 664376836 /nfs/dbraw/zinc/37/68/36/664376836.db2.gz ZBXFZFXCDFRXQR-OKILXGFUSA-N 1 0 398.349 2.796 20 0 GFADRO C[C@@H](CNC(=O)NCc1nc2c(s1)CCC2)N1CCc2sccc2C1 ZINC000914193337 664384286 /nfs/dbraw/zinc/38/42/86/664384286.db2.gz WSCJNKUGDYOAIZ-LBPRGKRZSA-N 1 0 376.551 2.939 20 0 GFADRO C[C@@H]1C[C@H](NS(=O)(=O)Cc2ccsc2Br)C[N@@H+]1C1CC1 ZINC000914237312 664389031 /nfs/dbraw/zinc/38/90/31/664389031.db2.gz SMMJEQMPLAIIFY-KOLCDFICSA-N 1 0 379.345 2.555 20 0 GFADRO Cc1sc(C)c(S(=O)(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)c1C ZINC000914262854 664392186 /nfs/dbraw/zinc/39/21/86/664392186.db2.gz CHQFSCGDXSERCE-DLBZAZTESA-N 1 0 386.583 2.720 20 0 GFADRO C[C@H]1CCC[C@](CNC(=O)NCc2cnc(Br)cn2)([NH+](C)C)C1 ZINC000914313902 664398053 /nfs/dbraw/zinc/39/80/53/664398053.db2.gz IIQZDGMVMJEHCG-LRDDRELGSA-N 1 0 384.322 2.549 20 0 GFADRO CC[N@@H+]1CCC[C@H](NC(=O)N2CCC[C@H]2c2ncc(Br)cn2)C1 ZINC000914316077 664398324 /nfs/dbraw/zinc/39/83/24/664398324.db2.gz IMGGLPOANYLMOI-KBPBESRZSA-N 1 0 382.306 2.570 20 0 GFADRO Cn1cc(CNC(=O)NC2CC[NH+](CC3CCCC3)CC2)c(Br)n1 ZINC000915225848 664424532 /nfs/dbraw/zinc/42/45/32/664424532.db2.gz RDWPBXRFSNKSRZ-UHFFFAOYSA-N 1 0 398.349 2.636 20 0 GFADRO CC(C)[C@H](CNS(=O)(=O)/C=C\c1ccc(Cl)cc1)N1CC[NH+](C)CC1 ZINC000915354553 664428896 /nfs/dbraw/zinc/42/88/96/664428896.db2.gz ILUYJNLPDBFSAG-ZHJQRIIBSA-N 1 0 385.961 2.502 20 0 GFADRO C[C@@H]1CN(S(=O)(=O)c2occc2Br)CC[N@@H+](C2CCC2)C1 ZINC000915842056 664442324 /nfs/dbraw/zinc/44/23/24/664442324.db2.gz FFMPCRBEJBTGDJ-NSHDSACASA-N 1 0 377.304 2.537 20 0 GFADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)N1CCC[C@@]1(C)Cc1ccc(Cl)s1 ZINC000917973387 664493774 /nfs/dbraw/zinc/49/37/74/664493774.db2.gz XVUKBRXWEGVFAW-KSSFIOAISA-N 1 0 384.977 2.754 20 0 GFADRO CC(C)[C@H](C[NH+](C)C)NC(=O)c1cnn(-c2ccc(Br)cc2)c1 ZINC000918693303 664502708 /nfs/dbraw/zinc/50/27/08/664502708.db2.gz GKAPGZNTEQUPRA-INIZCTEOSA-N 1 0 379.302 2.951 20 0 GFADRO Cc1sc(Br)cc1S(=O)(=O)N1CCc2[nH+]ccc(N)c2C1 ZINC000918899451 664506243 /nfs/dbraw/zinc/50/62/43/664506243.db2.gz GIILXIIFCDHTPT-UHFFFAOYSA-N 1 0 388.312 2.543 20 0 GFADRO O=C(Nc1ccc(Br)cn1)[C@H]1CCCN(CC[NH+]2CCCC2)C1 ZINC000919880337 664519044 /nfs/dbraw/zinc/51/90/44/664519044.db2.gz DOQVVMXUJITISC-AWEZNQCLSA-N 1 0 381.318 2.590 20 0 GFADRO CC[NH+]1CCC(NC(=O)CSc2nnc(NCc3cccs3)s2)CC1 ZINC000920208424 664523437 /nfs/dbraw/zinc/52/34/37/664523437.db2.gz IKHWXVKNXCYCAH-UHFFFAOYSA-N 1 0 397.595 2.904 20 0 GFADRO Cn1cc(CNC(=O)NC2CC[NH+](C3CCCCC3)CC2)c(Br)n1 ZINC000921219649 664539083 /nfs/dbraw/zinc/53/90/83/664539083.db2.gz FRVPKVOFOLIRAX-UHFFFAOYSA-N 1 0 398.349 2.779 20 0 GFADRO C[NH+](C)CC[C@@H](NS(=O)(=O)CCc1ccc(Cl)cc1)c1cccnc1 ZINC000921480108 664550191 /nfs/dbraw/zinc/55/01/91/664550191.db2.gz ZGXORQMLZAGLDG-GOSISDBHSA-N 1 0 381.929 2.890 20 0 GFADRO Cn1ccnc1[C@@](O)(CC[NH2+]Cc1c(Cl)n[nH]c1C1CC1)C(F)(F)F ZINC000921579961 664555063 /nfs/dbraw/zinc/55/50/63/664555063.db2.gz ALKYAYGOPVLEAO-AWEZNQCLSA-N 1 0 377.798 2.604 20 0 GFADRO CSCc1ccc(C[NH2+]C2CCN(S(=O)(=O)C(F)(F)F)CC2)cc1 ZINC000921832088 664571234 /nfs/dbraw/zinc/57/12/34/664571234.db2.gz YQJLDZUPKSUZHL-UHFFFAOYSA-N 1 0 382.473 2.953 20 0 GFADRO O=S(=O)(NC[C@H]1CC[N@@H+]1C1CCOCC1)c1ccc(Cl)c(Cl)c1 ZINC000921909498 664575632 /nfs/dbraw/zinc/57/56/32/664575632.db2.gz XLFCUIGQLSOBKZ-GFCCVEGCSA-N 1 0 379.309 2.525 20 0 GFADRO FC(F)(F)c1cn2c(n1)CC[C@@H](C[NH2+]Cc1nc(Br)c[nH]1)C2 ZINC000922023308 664581606 /nfs/dbraw/zinc/58/16/06/664581606.db2.gz CDBMADHJNYFIME-QMMMGPOBSA-N 1 0 378.196 2.740 20 0 GFADRO CCOC(=O)c1csc(CC[NH2+]Cc2csc(-c3ccn(C)n3)n2)n1 ZINC000922040624 664582616 /nfs/dbraw/zinc/58/26/16/664582616.db2.gz DGSBHXZZWRTYBX-UHFFFAOYSA-N 1 0 377.495 2.509 20 0 GFADRO CCn1c(C[NH2+][C@H]2CCOC[C@H]2C)nc(Br)c1Br ZINC000922064451 664583641 /nfs/dbraw/zinc/58/36/41/664583641.db2.gz PEGNPCXECTZFTN-BDAKNGLRSA-N 1 0 381.112 2.943 20 0 GFADRO CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H]([NH2+]C[C@H](O)C(F)(F)C(F)(F)F)C1 ZINC000922336647 664595361 /nfs/dbraw/zinc/59/53/61/664595361.db2.gz BBDQQYHNAHVQIK-MXWKQRLJSA-N 1 0 376.366 2.828 20 0 GFADRO Cn1nccc1[C@@H]1[C@@H]([NH2+]Cc2ccc(Br)c(F)c2)CCC(=O)N1C ZINC000922405972 664600043 /nfs/dbraw/zinc/60/00/43/664600043.db2.gz ZAFAXTQISUCQJH-YOEHRIQHSA-N 1 0 395.276 2.773 20 0 GFADRO CN1C[C@@H](CC[NH2+]Cc2cnn(-c3ccc(Br)cc3)c2)CC1=O ZINC000922490229 664603688 /nfs/dbraw/zinc/60/36/88/664603688.db2.gz WBPBTXTWIJTKPT-ZDUSSCGKSA-N 1 0 377.286 2.593 20 0 GFADRO COc1cc(C[NH2+][C@H]2CCCN3CCSC[C@H]23)cc(Br)c1O ZINC000922525499 664605778 /nfs/dbraw/zinc/60/57/78/664605778.db2.gz RITWGSDLYFHSMC-UONOGXRCSA-N 1 0 387.343 2.833 20 0 GFADRO CC(C)(C)OC(=O)N[C@H](C[NH2+][C@@H]1CCCN2CCSC[C@H]12)CC(F)F ZINC000922527519 664605798 /nfs/dbraw/zinc/60/57/98/664605798.db2.gz WRTBTIPOWFICCT-BFHYXJOUSA-N 1 0 379.517 2.704 20 0 GFADRO CCn1c(Br)c(Br)nc1CN[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000922557139 664606805 /nfs/dbraw/zinc/60/68/05/664606805.db2.gz ZNWPPGZQCVCCNG-RKDXNWHRSA-N 1 0 380.128 2.610 20 0 GFADRO O=C1C[C@H](CC[NH2+]Cc2ccc(Br)c(Br)c2)CN1 ZINC000922780322 664614257 /nfs/dbraw/zinc/61/42/57/664614257.db2.gz HYEMGRCMMXSNDB-JTQLQIEISA-N 1 0 376.092 2.827 20 0 GFADRO COc1ccc(C(=O)N2CCC([NH2+]C3CCOCC3)CC2)c(Br)c1 ZINC000922863248 664616872 /nfs/dbraw/zinc/61/68/72/664616872.db2.gz ARFGLFIBQPGKFP-UHFFFAOYSA-N 1 0 397.313 2.831 20 0 GFADRO Cc1cc(Br)cn2c(C[NH2+]C[C@H]3CCN3C3CCOCC3)cnc12 ZINC000922951850 664619851 /nfs/dbraw/zinc/61/98/51/664619851.db2.gz BFRZXAYQXDQHDF-MRXNPFEDSA-N 1 0 393.329 2.748 20 0 GFADRO Cn1nnc2c1C[C@H]([NH2+]Cc1cc(OC(F)F)ccc1Br)CC2 ZINC000922991639 664620531 /nfs/dbraw/zinc/62/05/31/664620531.db2.gz QMHVVICPUBDLJB-SNVBAGLBSA-N 1 0 387.228 2.826 20 0 GFADRO C[C@@H]1[C@H](C)[NH2+]C[C@H](C)N1CC(=O)Nc1c(F)cc(F)cc1Br ZINC000923446201 664630685 /nfs/dbraw/zinc/63/06/85/664630685.db2.gz XNUPFQXAPSZLGX-LPEHRKFASA-N 1 0 376.245 2.737 20 0 GFADRO C[C@@H](NC(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1)c1cn(C)nn1 ZINC000923448982 664630739 /nfs/dbraw/zinc/63/07/39/664630739.db2.gz JEBNGNGRJBTVQC-MEBBXXQBSA-N 1 0 385.299 2.785 20 0 GFADRO CCN(CCC(N)=O)C(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000923449018 664630742 /nfs/dbraw/zinc/63/07/42/664630742.db2.gz JPNJWYCHNXROMN-AWEZNQCLSA-N 1 0 375.300 2.503 20 0 GFADRO C[C@H](C(=O)Nc1ccccc1Br)N1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923451747 664630774 /nfs/dbraw/zinc/63/07/74/664630774.db2.gz CLXVYRBWWAWMAO-ZIAGYGMSSA-N 1 0 396.329 2.606 20 0 GFADRO C[C@H]1CN(Cc2csc(-c3ccc(S(C)(=O)=O)cc3)n2)CC[C@@H]1C[NH3+] ZINC000923501648 664631505 /nfs/dbraw/zinc/63/15/05/664631505.db2.gz RTSYAXUYXZVWML-DZGCQCFKSA-N 1 0 379.551 2.630 20 0 GFADRO O=S(=O)(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)[C@@H]1CCC[NH2+]C1 ZINC000923587722 664634282 /nfs/dbraw/zinc/63/42/82/664634282.db2.gz DBMYLELKXIISSA-FXPVBKGRSA-N 1 0 382.370 2.567 20 0 GFADRO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(S(=O)(=O)c2cscc2C(F)F)CC1 ZINC000923646723 664635003 /nfs/dbraw/zinc/63/50/03/664635003.db2.gz LAEAVSDCIQHYKT-TZMCWYRMSA-N 1 0 380.482 2.593 20 0 GFADRO [NH3+]C[C@H]1CC2(CO1)CCN(S(=O)(=O)c1cc(Cl)sc1Cl)CC2 ZINC000923686583 664635746 /nfs/dbraw/zinc/63/57/46/664635746.db2.gz MXGSBDCASIZAND-SECBINFHSA-N 1 0 385.338 2.573 20 0 GFADRO [NH3+]CC[C@H]1CCN(S(=O)(=O)Cc2ccc(Br)cc2Cl)C1 ZINC000923697721 664636230 /nfs/dbraw/zinc/63/62/30/664636230.db2.gz AIKRKFGTLOMACZ-JTQLQIEISA-N 1 0 381.723 2.603 20 0 GFADRO Cn1cc(Br)c(C(=O)OCC[N@H+](C)Cc2ccc(F)cc2)cc1=O ZINC000923949450 664641144 /nfs/dbraw/zinc/64/11/44/664641144.db2.gz ZLSHKQGLJWSFEY-UHFFFAOYSA-N 1 0 397.244 2.576 20 0 GFADRO C[C@H]([NH2+]Cc1ccccc1OC(F)(F)F)C1CCN(S(C)(=O)=O)CC1 ZINC000924590293 664658672 /nfs/dbraw/zinc/65/86/72/664658672.db2.gz PCVZCOMIKZUMPS-LBPRGKRZSA-N 1 0 380.432 2.735 20 0 GFADRO O=C(NCC[NH2+][C@H](C1CC1)[C@H]1CCCOC1)c1ccc(Br)cc1 ZINC000924731861 664660438 /nfs/dbraw/zinc/66/04/38/664660438.db2.gz LALABPHDRBKSGJ-DOTOQJQBSA-N 1 0 381.314 2.974 20 0 GFADRO O[C@H](CN[C@@H](c1ccc(Br)cc1)c1cccnc1)C[NH+]1CCCC1 ZINC000924758027 664661126 /nfs/dbraw/zinc/66/11/26/664661126.db2.gz SFGZYTWAODMWOB-MOPGFXCFSA-N 1 0 390.325 2.980 20 0 GFADRO CN1C(=O)N([C@H]2CC[N@@H+](C3CC3)C2)C(=O)[C@H]1c1cccc(Br)c1 ZINC000924884102 664663635 /nfs/dbraw/zinc/66/36/35/664663635.db2.gz BEZGQJBCAOTCKU-LSDHHAIUSA-N 1 0 378.270 2.621 20 0 GFADRO CN1C(=O)N([C@@H]2CC[N@@H+](C3CC3)C2)C(=O)[C@H]1c1cccc(Br)c1 ZINC000924884100 664663658 /nfs/dbraw/zinc/66/36/58/664663658.db2.gz BEZGQJBCAOTCKU-HUUCEWRRSA-N 1 0 378.270 2.621 20 0 GFADRO O=C1N[C@H](c2ccc(Br)c(Cl)c2)C(=O)N1[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000924887073 664663671 /nfs/dbraw/zinc/66/36/71/664663671.db2.gz QSACIOSMWWTZCN-BXUZGUMPSA-N 1 0 398.688 2.932 20 0 GFADRO COc1ccc(Br)c(C(=O)NCCC[NH2+][C@@H]2CO[C@H](C)[C@@H]2C)c1 ZINC000925015678 664665160 /nfs/dbraw/zinc/66/51/60/664665160.db2.gz LLSALMYEQWHQEX-HWWQOWPSSA-N 1 0 385.302 2.591 20 0 GFADRO C[C@H]([NH2+]CC1(O)CCS(=O)(=O)CC1)c1ccccc1SC(F)(F)F ZINC000925127946 664667096 /nfs/dbraw/zinc/66/70/96/664667096.db2.gz XGDYRLZELDNXHK-NSHDSACASA-N 1 0 383.457 2.889 20 0 GFADRO Cc1csc([C@@H]2CCCN(C(=O)N[C@H]3CCC[N@@H+]4CCSC[C@H]34)C2)n1 ZINC000925151571 664667400 /nfs/dbraw/zinc/66/74/00/664667400.db2.gz KEWYLBFLEQNBND-OWCLPIDISA-N 1 0 380.583 2.920 20 0 GFADRO CN(Cc1nc(C(F)(F)F)cs1)C(=O)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000925153161 664667498 /nfs/dbraw/zinc/66/74/98/664667498.db2.gz KFCRCVDKSHNSSV-QWRGUYRKSA-N 1 0 394.488 2.883 20 0 GFADRO CC(=O)Nc1ccc(Cl)c(NC(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@@H]23)c1 ZINC000925146027 664667514 /nfs/dbraw/zinc/66/75/14/664667514.db2.gz CLVGEWGZXOBRBS-ZBFHGGJFSA-N 1 0 382.917 3.000 20 0 GFADRO O=C(N[C@H](CCO)c1ccc(Cl)cc1)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000925164719 664667680 /nfs/dbraw/zinc/66/76/80/664667680.db2.gz PWBBDBCXLVLBPP-ZACQAIPSSA-N 1 0 383.945 2.643 20 0 GFADRO C[C@H]([NH2+]CCc1ccc(S(=O)(=O)N2CCCCC2)s1)c1cn(C)cn1 ZINC000925165692 664667707 /nfs/dbraw/zinc/66/77/07/664667707.db2.gz KTGMSNCHEZYWOQ-AWEZNQCLSA-N 1 0 382.555 2.550 20 0 GFADRO C[C@]12CCN(C(=O)N[C@@H]3CCC[N@@H+]4CCSC[C@@H]34)C[C@H]1C2(Cl)Cl ZINC000925160724 664667711 /nfs/dbraw/zinc/66/77/11/664667711.db2.gz MRIKNBMVLCEQCW-COMQUAJESA-N 1 0 378.369 2.792 20 0 GFADRO O=C(N[C@H]1CCC[N@@H+]2CCSC[C@H]12)N1C[C@@H]2CCC[C@]2(C(F)(F)F)C1 ZINC000925170933 664667802 /nfs/dbraw/zinc/66/78/02/664667802.db2.gz OMGWEYKIZWYHCR-AYDFFVQHSA-N 1 0 377.476 2.940 20 0 GFADRO COc1ccnc([C@@H](C)[NH2+]C[C@H](O)COc2ccccc2Br)c1 ZINC000925545052 664672935 /nfs/dbraw/zinc/67/29/35/664672935.db2.gz WLWOXRSICHJKQW-OLZOCXBDSA-N 1 0 381.270 2.943 20 0 GFADRO Cc1cc(OCCC[C@@H](C)[NH2+]CC[C@@H]2CNCCS2(=O)=O)ccc1Cl ZINC000925789167 664674768 /nfs/dbraw/zinc/67/47/68/664674768.db2.gz PVGKRVAAJQPZBN-NVXWUHKLSA-N 1 0 388.961 2.562 20 0 GFADRO CC[C@@H]1CN(S(=O)(=O)C(C)C)CC[C@H]1[NH2+][C@@H](C)C1(Br)CC1 ZINC000925885090 664676668 /nfs/dbraw/zinc/67/66/68/664676668.db2.gz RIZLXCLACACFIJ-BFHYXJOUSA-N 1 0 381.380 2.731 20 0 GFADRO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(C(=O)Nc1cc(Cl)ccc1SC)C2 ZINC000925983641 664678676 /nfs/dbraw/zinc/67/86/76/664678676.db2.gz PXCFTROIPQZDGL-BFCNOCSMSA-N 1 0 383.901 2.806 20 0 GFADRO CC1(C)CN(C(=O)Nc2cc(Br)ccc2-n2cccn2)C[C@@H]1[NH3+] ZINC000926025709 664679219 /nfs/dbraw/zinc/67/92/19/664679219.db2.gz QTGYUBDFTNPTEH-AWEZNQCLSA-N 1 0 378.274 2.836 20 0 GFADRO [NH3+][C@]1(CO)CCCN(C(=O)Nc2cc(Br)cc(C(F)(F)F)c2)C1 ZINC000926049625 664680032 /nfs/dbraw/zinc/68/00/32/664680032.db2.gz PYVCXUBPNHCYQZ-CYBMUJFWSA-N 1 0 396.207 2.785 20 0 GFADRO CCOC(=O)c1c(NC(=O)N2C[C@H]([NH3+])C(C)(C)C2)sc2c1CCSC2 ZINC000926078776 664680983 /nfs/dbraw/zinc/68/09/83/664680983.db2.gz BPBGFORQMZQFMW-LBPRGKRZSA-N 1 0 383.539 2.915 20 0 GFADRO COc1cc(NC(=O)N2CC[C@H](C[NH3+])[C@@H](C)C2)cc(OC)c1Br ZINC000926084916 664681266 /nfs/dbraw/zinc/68/12/66/664681266.db2.gz ONSBSAQZKJVQGL-WDEREUQCSA-N 1 0 386.290 2.915 20 0 GFADRO COc1cc(Br)cc(NC(=O)N[C@H]2C[NH2+]CC3(CCOCC3)C2)c1 ZINC000926086348 664681405 /nfs/dbraw/zinc/68/14/05/664681405.db2.gz XSKSCVJWTYAQNR-CQSZACIVSA-N 1 0 398.301 2.738 20 0 GFADRO Cc1cc(Br)cc(NC(=O)NC[C@H]2CC3(CC[NH2+]CC3)C(=O)O2)c1 ZINC000926096184 664681596 /nfs/dbraw/zinc/68/15/96/664681596.db2.gz ARIWLUVKFJAMHW-CQSZACIVSA-N 1 0 396.285 2.564 20 0 GFADRO COc1cc(OC)c(NC(=O)N2CC[C@@H](C[NH3+])[C@H](C)C2)cc1Br ZINC000926100801 664681706 /nfs/dbraw/zinc/68/17/06/664681706.db2.gz MUQDHSWTXFXIOC-MNOVXSKESA-N 1 0 386.290 2.915 20 0 GFADRO COC(=O)c1cc(NC(=O)N2CC[C@@H](C[NH3+])[C@@H](C)C2)c(C)cc1Br ZINC000926114628 664682107 /nfs/dbraw/zinc/68/21/07/664682107.db2.gz FKJSRTHHYMKDCG-RYUDHWBXSA-N 1 0 398.301 2.993 20 0 GFADRO Cc1ncc(Br)cc1NC(=O)N1CC[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000926131776 664682519 /nfs/dbraw/zinc/68/25/19/664682519.db2.gz CSCGGRXCUQAGRZ-NXEZZACHSA-N 1 0 381.196 2.896 20 0 GFADRO CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NC(=O)c1nc(Cl)sc1Cl)C2 ZINC000926146328 664682980 /nfs/dbraw/zinc/68/29/80/664682980.db2.gz FXQOKJKQCCTBGP-LIEMUPCESA-N 1 0 378.325 2.659 20 0 GFADRO O=C(NCC1(n2cc(Br)cn2)CC1)Nc1ccc2c(c1)C[NH2+]C2 ZINC000926165289 664683456 /nfs/dbraw/zinc/68/34/56/664683456.db2.gz QEZRUPVESXALAB-UHFFFAOYSA-N 1 0 376.258 2.560 20 0 GFADRO COc1cc(Br)cc(CNC(=O)Nc2cnc3c(c2)C[NH2+]CC3)c1 ZINC000926160174 664683479 /nfs/dbraw/zinc/68/34/79/664683479.db2.gz HABOWUKTNOUCLY-UHFFFAOYSA-N 1 0 391.269 2.820 20 0 GFADRO Cc1ccc(C(=O)N[C@@H]2C[C@]3(C[N@@H+](C)[C@@H]3C(C)C)C[C@H]2O)cc1Br ZINC000926166164 664683589 /nfs/dbraw/zinc/68/35/89/664683589.db2.gz HVGGNLZDVOKLTN-YWTNHNAXSA-N 1 0 395.341 2.967 20 0 GFADRO CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NC(=O)c1cc(F)cc(Br)c1)C2 ZINC000926179546 664684158 /nfs/dbraw/zinc/68/41/58/664684158.db2.gz FWELNGAGJXLUCD-XLMAVXFVSA-N 1 0 399.304 2.798 20 0 GFADRO CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NC(=O)c1sccc1Br)C2 ZINC000926182942 664684276 /nfs/dbraw/zinc/68/42/76/664684276.db2.gz LDOMXFOABJNAFJ-ZNEHSRBWSA-N 1 0 387.343 2.720 20 0 GFADRO CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)c1ccc(Br)s1)C2 ZINC000926190048 664684441 /nfs/dbraw/zinc/68/44/41/664684441.db2.gz QPUNVAYGBIEXQU-JDOCFBBISA-N 1 0 387.343 2.720 20 0 GFADRO COCCO[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CCCc2ncc(Br)cc21 ZINC000926217273 664684860 /nfs/dbraw/zinc/68/48/60/664684860.db2.gz RHTXBGLELCZXDQ-IXDOHACOSA-N 1 0 385.302 2.632 20 0 GFADRO O=S1(=O)CC(CC[NH2+][C@@H](c2ccc(Br)cc2)c2cccnc2)C1 ZINC000926246450 664685327 /nfs/dbraw/zinc/68/53/27/664685327.db2.gz IELRAZZAHVKGLK-KRWDZBQOSA-N 1 0 395.322 2.958 20 0 GFADRO C[C@H](CCCC(F)(F)F)[NH2+][C@@H](C)c1ccc(S(=O)(=O)CC(N)=O)cc1 ZINC000926279549 664685904 /nfs/dbraw/zinc/68/59/04/664685904.db2.gz OOWYJTODTIBCFN-NEPJUHHUSA-N 1 0 380.432 2.717 20 0 GFADRO [NH3+]CC[C@H]1CCN(C(=O)C(=O)N(Cc2ccc(Cl)c(Cl)c2)C2CC2)C1 ZINC000926315761 664687667 /nfs/dbraw/zinc/68/76/67/664687667.db2.gz QUZNXXDRVXLXFD-LBPRGKRZSA-N 1 0 384.307 2.682 20 0 GFADRO CCON1CCC([NH2+]Cc2cc(C(F)(F)F)cc(S(C)(=O)=O)c2)CC1 ZINC000926376050 664688967 /nfs/dbraw/zinc/68/89/67/664688967.db2.gz BQPCCIWDENQNHR-UHFFFAOYSA-N 1 0 380.432 2.614 20 0 GFADRO CC(=O)N[C@@H](c1ccccc1F)[C@H](C)[NH2+]CCn1cc(Br)cn1 ZINC000926415423 664689750 /nfs/dbraw/zinc/68/97/50/664689750.db2.gz SNXBULAFMOJGID-MEDUHNTESA-N 1 0 383.265 2.640 20 0 GFADRO O=C1NCC2(CCOCC2)[C@H]1[NH2+]CC1(c2ccccc2Br)CCC1 ZINC000926469086 664690342 /nfs/dbraw/zinc/69/03/42/664690342.db2.gz CFWRSPWVOBMEPJ-INIZCTEOSA-N 1 0 393.325 2.756 20 0 GFADRO COc1ccc(C[C@@H](CO)C[NH2+][C@H](C)c2nonc2C)cc1Br ZINC000926536717 664691759 /nfs/dbraw/zinc/69/17/59/664691759.db2.gz BCFTUBKCXIBDJZ-ZWNOBZJWSA-N 1 0 384.274 2.651 20 0 GFADRO COc1ccc(Br)cc1C[C@@H](CO)C[NH2+][C@@H]1[C@@H](C)COC[C@H]1C ZINC000926544326 664692150 /nfs/dbraw/zinc/69/21/50/664692150.db2.gz YWPMTXRAJQLPLF-NPSOMJIGSA-N 1 0 386.330 2.869 20 0 GFADRO C[C@H]([NH2+]CC1(NC(=O)OC(C)(C)C)CCOCC1)C1(Br)CC1 ZINC000926754122 664696362 /nfs/dbraw/zinc/69/63/62/664696362.db2.gz LYWROYWDDFTJRY-LBPRGKRZSA-N 1 0 377.323 2.966 20 0 GFADRO CN(C)[C@H](CCNC(=O)N(CC[NH+](C)C)Cc1cccs1)C(F)(F)F ZINC000926816544 664697058 /nfs/dbraw/zinc/69/70/58/664697058.db2.gz OAJHDWWXBRSWAL-CQSZACIVSA-N 1 0 380.480 2.704 20 0 GFADRO O=C1NCCN1CC[NH2+][C@@H](Cc1ccccc1Br)c1ccoc1 ZINC000926874473 664698307 /nfs/dbraw/zinc/69/83/07/664698307.db2.gz SQGKIROTYZSVKU-INIZCTEOSA-N 1 0 378.270 2.941 20 0 GFADRO COc1cc(Br)cc(C[NH2+][C@@H](C)C2CCS(=O)(=O)CC2)c1 ZINC000926903260 664698866 /nfs/dbraw/zinc/69/88/66/664698866.db2.gz IHOZSFNSVHNOFW-NSHDSACASA-N 1 0 376.316 2.761 20 0 GFADRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+]C[C@H]2CCC[C@H](C(F)(F)F)O2)cc1 ZINC000926917746 664699173 /nfs/dbraw/zinc/69/91/73/664699173.db2.gz XEOFVELUXWXNOX-NJZAAPMLSA-N 1 0 380.432 2.745 20 0 GFADRO CN(Cc1ncc(Br)cn1)C(=O)CC[N@@H+]1CCc2ccccc2C1 ZINC000926974806 664700365 /nfs/dbraw/zinc/70/03/65/664700365.db2.gz VLJZRARJTVBVAL-UHFFFAOYSA-N 1 0 389.297 2.646 20 0 GFADRO CC[N@H+](C)[C@H](C(=O)N(C)Cc1ncc(Br)cn1)c1ccccc1 ZINC000926981539 664701151 /nfs/dbraw/zinc/70/11/51/664701151.db2.gz INGPTFYXFBUKKZ-INIZCTEOSA-N 1 0 377.286 2.891 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCS[C@H](C)C1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000927030346 664702658 /nfs/dbraw/zinc/70/26/58/664702658.db2.gz HVRFVMUKNYCLDL-HLLBOEOZSA-N 1 0 384.567 2.642 20 0 GFADRO CC(C)C[C@@H]([NH2+]C[C@H](O)CS(C)(=O)=O)c1cccc(Br)c1 ZINC000927028257 664702682 /nfs/dbraw/zinc/70/26/82/664702682.db2.gz WTXXDLKYNJRPOR-LSDHHAIUSA-N 1 0 378.332 2.531 20 0 GFADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)NCC2(n3cc(Br)cn3)CC2)C1 ZINC000927104860 664703977 /nfs/dbraw/zinc/70/39/77/664703977.db2.gz PBUSCCSWAIYIJF-AWEZNQCLSA-N 1 0 398.349 2.508 20 0 GFADRO O=C1N[C@H](C[NH+]2CCCCC2)C(=O)N1c1cc(-c2ccc(Cl)s2)on1 ZINC000927231887 664705988 /nfs/dbraw/zinc/70/59/88/664705988.db2.gz RMHSLDBWNHBIAD-SNVBAGLBSA-N 1 0 380.857 2.967 20 0 GFADRO CN(Cc1ccccc1Br)C(=O)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000927643729 664713386 /nfs/dbraw/zinc/71/33/86/664713386.db2.gz AABQNSVDQSVLNN-MRXNPFEDSA-N 1 0 396.329 2.844 20 0 GFADRO O=C(NC[C@H]1CCCC[NH2+]1)c1ccc(Cn2cc(Br)cn2)s1 ZINC000927772942 664715785 /nfs/dbraw/zinc/71/57/85/664715785.db2.gz DVHHWIQUFMVQBV-GFCCVEGCSA-N 1 0 383.315 2.627 20 0 GFADRO Cc1c(NC(=O)C(=O)N(C)C[C@H](C)[NH3+])cc(Br)cc1C(F)(F)F ZINC000927808330 664716152 /nfs/dbraw/zinc/71/61/52/664716152.db2.gz SYGCNTXZZRVEJW-ZETCQYMHSA-N 1 0 396.207 2.520 20 0 GFADRO Cc1ccc(-c2csc(NC(=O)C(=O)N3CC[C@@H](C[NH3+])[C@@H](C)C3)n2)s1 ZINC000927889149 664717370 /nfs/dbraw/zinc/71/73/70/664717370.db2.gz BQKCSSUMUAGTJT-JQWIXIFHSA-N 1 0 378.523 2.562 20 0 GFADRO O=C(Cc1sccc1Br)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000928079624 664721902 /nfs/dbraw/zinc/72/19/02/664721902.db2.gz JIPIXCVOKSUUOA-NEPJUHHUSA-N 1 0 375.357 2.749 20 0 GFADRO Cc1oc(-c2ccsc2)nc1CC(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000928089953 664722452 /nfs/dbraw/zinc/72/24/52/664722452.db2.gz GRDNDEMKVNNMNR-ZBFHGGJFSA-N 1 0 377.535 2.950 20 0 GFADRO Cc1ccc(-n2cnnc2SCC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2C)cc1Cl ZINC000928454596 664732760 /nfs/dbraw/zinc/73/27/60/664732760.db2.gz RMEBVTSMLAZGNE-IUODEOHRSA-N 1 0 379.917 2.530 20 0 GFADRO C[C@@H]1[C@@H](NC(=O)CCC[S@@](=O)c2ccc(Br)cc2)CC[N@@H+]1C ZINC000928449093 664732808 /nfs/dbraw/zinc/73/28/08/664732808.db2.gz PQFKJXCTWGVOQO-XTCJLCLGSA-N 1 0 387.343 2.546 20 0 GFADRO CC[NH+](CC)CCCNC(=O)C[C@H]1C(=O)Nc2ccc(Br)cc21 ZINC000929218390 664748440 /nfs/dbraw/zinc/74/84/40/664748440.db2.gz IQMQLZNUTIANLU-CQSZACIVSA-N 1 0 382.302 2.723 20 0 GFADRO COc1ccc(Br)cc1CN(C)C(=O)COC1CC[NH+](C)CC1 ZINC000929313395 664749975 /nfs/dbraw/zinc/74/99/75/664749975.db2.gz WXKGOKFYQUYTDJ-UHFFFAOYSA-N 1 0 385.302 2.527 20 0 GFADRO CC[NH+]1CCN(c2ccc(NC(=O)c3c(C)[nH]nc3Br)cc2)CC1 ZINC000929395824 664751657 /nfs/dbraw/zinc/75/16/57/664751657.db2.gz JPDHSGZFUNTRNQ-UHFFFAOYSA-N 1 0 392.301 2.875 20 0 GFADRO CC[N@H+](C[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C1)[C@@H](C)CS(=O)(=O)CC ZINC000929640035 664755452 /nfs/dbraw/zinc/75/54/52/664755452.db2.gz FYLGFIKYVSVKAF-XHSDSOJGSA-N 1 0 376.563 2.825 20 0 GFADRO Brc1cccc(C2([NH2+]C[C@@H]3C[C@@H]4COC[C@@H]4O3)CCOCC2)c1 ZINC000929895698 664759307 /nfs/dbraw/zinc/75/93/07/664759307.db2.gz SXULCZPNLOBWMZ-COXVUDFISA-N 1 0 382.298 2.848 20 0 GFADRO COc1cc(Br)c(NC(=O)N2CC[C@@H]3C[N@H+](C)C[C@@H]32)cc1OC ZINC000929915387 664759762 /nfs/dbraw/zinc/75/97/62/664759762.db2.gz GYYMVVFBMVHNRR-MFKMUULPSA-N 1 0 384.274 2.634 20 0 GFADRO COc1cc(Br)c(NC(=O)NCC[N@@H+]2CC[C@@H](C)C2)cc1OC ZINC000929915581 664759765 /nfs/dbraw/zinc/75/97/65/664759765.db2.gz JTZNFALODNCLGQ-LLVKDONJSA-N 1 0 386.290 2.930 20 0 GFADRO COC(=O)c1ccc(Br)c(C[N@@H+]2CC[C@H](c3nccn3C)C2)c1 ZINC000930093133 664762715 /nfs/dbraw/zinc/76/27/15/664762715.db2.gz KESLKVBBSUKHII-ZDUSSCGKSA-N 1 0 378.270 2.959 20 0 GFADRO COc1ccc(NC(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)c(Br)c1 ZINC000930140777 664763190 /nfs/dbraw/zinc/76/31/90/664763190.db2.gz FXKGLPYWTSUTBZ-CVEARBPZSA-N 1 0 398.301 2.521 20 0 GFADRO COC(=O)C1(O)CC[NH+](CCCCOc2ccc(Br)cc2)CC1 ZINC000930166057 664763768 /nfs/dbraw/zinc/76/37/68/664763768.db2.gz JNTQTHFJVZQRCA-UHFFFAOYSA-N 1 0 386.286 2.608 20 0 GFADRO C[C@H]1[C@@H](NC(=O)Nc2cc(F)c(F)cc2I)CC[N@@H+]1C ZINC000930256538 664765513 /nfs/dbraw/zinc/76/55/13/664765513.db2.gz PQOVZTNWSXTWBG-CPCISQLKSA-N 1 0 395.191 2.784 20 0 GFADRO C[C@@H](C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(I)cc1 ZINC000930368768 664768342 /nfs/dbraw/zinc/76/83/42/664768342.db2.gz VGXYHIKGZLUIHS-OLZOCXBDSA-N 1 0 398.288 2.995 20 0 GFADRO Cn1c(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)cc2cc(Br)cnc21 ZINC000930367848 664768403 /nfs/dbraw/zinc/76/84/03/664768403.db2.gz GWHNMCDZIVSNLG-LLVKDONJSA-N 1 0 377.286 2.550 20 0 GFADRO COc1ccc(Br)c([C@H](CO)[N@H+](C)CCCCCNC(C)=O)c1 ZINC000930625912 664774778 /nfs/dbraw/zinc/77/47/78/664774778.db2.gz ZNDDNXOQOIWHIA-KRWDZBQOSA-N 1 0 387.318 2.729 20 0 GFADRO Cc1cc(NC(=O)NC[C@H]2CC[N@@H+]2C2CCOCC2)cnc1Br ZINC000930779930 664778043 /nfs/dbraw/zinc/77/80/43/664778043.db2.gz RZRABVPULUWFFL-CQSZACIVSA-N 1 0 383.290 2.527 20 0 GFADRO Cc1cc(C(=O)N2CCC(CC[NH+]3CCOCC3)CC2)cnc1Br ZINC000931182927 664787850 /nfs/dbraw/zinc/78/78/50/664787850.db2.gz XATISSKUYWKMOT-UHFFFAOYSA-N 1 0 396.329 2.727 20 0 GFADRO Cc1cc(C(=O)N2CCC(CC[NH+]3CCOCC3)CC2)oc1Br ZINC000931183306 664787854 /nfs/dbraw/zinc/78/78/54/664787854.db2.gz NUGGWNKOLPJVEC-UHFFFAOYSA-N 1 0 385.302 2.925 20 0 GFADRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cc(=O)n(C)cc1Br ZINC000931294160 664790837 /nfs/dbraw/zinc/79/08/37/664790837.db2.gz FVJOPEXTMYRTAI-CYBMUJFWSA-N 1 0 384.318 2.532 20 0 GFADRO COC(=O)c1cc(NC(=O)N[C@H]2CC[N@H+](C)[C@H]2C)c(C)cc1Br ZINC000931408195 664794337 /nfs/dbraw/zinc/79/43/37/664794337.db2.gz ZCBADKODUCAADO-GWCFXTLKSA-N 1 0 384.274 2.758 20 0 GFADRO C[C@H](C(=O)Nc1cccc(Br)c1)N1CCc2[nH+]ccc(N)c2C1 ZINC000931508928 664796755 /nfs/dbraw/zinc/79/67/55/664796755.db2.gz LIDSPOHZGBECEL-LLVKDONJSA-N 1 0 375.270 2.812 20 0 GFADRO Cc1csc([C@H](NC(=O)N[C@H]2CCC[N@@H+]3CCSC[C@H]23)C(F)(F)F)n1 ZINC000931581135 664799737 /nfs/dbraw/zinc/79/97/37/664799737.db2.gz RYANOHQMXYMTPP-TUAOUCFPSA-N 1 0 394.488 2.934 20 0 GFADRO COCCC[NH+]1CCC(NC(=O)c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000931628426 664801029 /nfs/dbraw/zinc/80/10/29/664801029.db2.gz OZBYLGZAVAKFOF-UHFFFAOYSA-N 1 0 379.810 2.985 20 0 GFADRO C[C@@H](CNC(=O)c1cnn(Cc2ccccc2)c1Br)[N@H+](C)C1CC1 ZINC000931778366 664804739 /nfs/dbraw/zinc/80/47/39/664804739.db2.gz ARTDMLHKCLFFGJ-ZDUSSCGKSA-N 1 0 391.313 2.906 20 0 GFADRO Cn1c(C(=O)N2CCCC[C@@H]2C[NH+](C)C)cc2cc(Br)cnc21 ZINC000931905748 664807165 /nfs/dbraw/zinc/80/71/65/664807165.db2.gz KGEYCEUDTBRSFC-CQSZACIVSA-N 1 0 379.302 2.892 20 0 GFADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(Br)cnc1C1CC1 ZINC000931988629 664808330 /nfs/dbraw/zinc/80/83/30/664808330.db2.gz MGWAMTISJONKFR-AWEZNQCLSA-N 1 0 382.302 2.562 20 0 GFADRO C[C@]1([C@H]2CCC[N@H+](C[C@@H](O)c3ccc(Br)cc3)C2)COC(=O)N1 ZINC000932016666 664808966 /nfs/dbraw/zinc/80/89/66/664808966.db2.gz OEIHJLMDMWSYTC-YSVLISHTSA-N 1 0 383.286 2.693 20 0 GFADRO COc1cc(CN2CCC([C@]3(C)COC(=O)N3)CC2)c(Br)cn1 ZINC000932098119 664810125 /nfs/dbraw/zinc/81/01/25/664810125.db2.gz DEVQSBKTPXOTIE-INIZCTEOSA-N 1 0 384.274 2.563 20 0 GFADRO COC(=O)C[C@@H]1CN(CC(=O)Nc2ccc(Br)cc2C)C[C@H]1C ZINC000932108090 664810231 /nfs/dbraw/zinc/81/02/31/664810231.db2.gz YVXKYIQTBFQSSB-CHWSQXEVSA-N 1 0 383.286 2.827 20 0 GFADRO C[NH+](C)CCN(Cc1cccs1)C(=O)NC1(C(F)(F)F)CCOCC1 ZINC000932291609 664818409 /nfs/dbraw/zinc/81/84/09/664818409.db2.gz FRPSTTSKAOVLLB-UHFFFAOYSA-N 1 0 379.448 2.933 20 0 GFADRO C[N@@H+]1CCC[C@H](CNC(=O)c2cc(Br)cnc2Br)C1 ZINC000932312328 664819421 /nfs/dbraw/zinc/81/94/21/664819421.db2.gz VFVBVFYGAPLWIL-SECBINFHSA-N 1 0 391.107 2.678 20 0 GFADRO Cc1cc(I)ccc1NC(=O)CN1CCO[C@H](C)CC1 ZINC000932346953 664820153 /nfs/dbraw/zinc/82/01/53/664820153.db2.gz SOPSRZGEVTYSTM-GFCCVEGCSA-N 1 0 388.249 2.649 20 0 GFADRO O=C(CC[NH+]1CCC([C@@H]2COC(=O)N2)CC1)Nc1cccc(Br)c1 ZINC000932774062 664836739 /nfs/dbraw/zinc/83/67/39/664836739.db2.gz HDNUFXGMZJAVQT-HNNXBMFYSA-N 1 0 396.285 2.598 20 0 GFADRO O=C(C[N@@H+]1CCC[C@@H](C2CCOCC2)C1)Nc1ccc(Br)cn1 ZINC000933082561 664849413 /nfs/dbraw/zinc/84/94/13/664849413.db2.gz XAWZIRJBZWTLIY-CQSZACIVSA-N 1 0 382.302 2.921 20 0 GFADRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1cc(Br)c2nccnc2c1 ZINC000933433286 664863613 /nfs/dbraw/zinc/86/36/13/664863613.db2.gz CYMVVTARYKTTPV-ABAIWWIYSA-N 1 0 377.286 2.805 20 0 GFADRO CCCn1c(C)nnc1C[NH2+][C@@](C)(CO)Cc1ccc(Br)cc1 ZINC000933439126 664864277 /nfs/dbraw/zinc/86/42/77/664864277.db2.gz IRCCRWWEDWCTRV-QGZVFWFLSA-N 1 0 381.318 2.842 20 0 GFADRO C[C@](CO)(Cc1ccc(Br)cc1)[NH2+]Cc1noc2c1COCC2 ZINC000933440781 664864648 /nfs/dbraw/zinc/86/46/48/664864648.db2.gz NTPNIMNBXAUZQV-QGZVFWFLSA-N 1 0 381.270 2.593 20 0 GFADRO C[C@H]1C[C@@H](NC(=O)c2cc3ccc(Br)cc3c(=O)o2)CC[N@@H+]1C ZINC000933492296 664866926 /nfs/dbraw/zinc/86/69/26/664866926.db2.gz SUQFFTNMWVWSRO-GWCFXTLKSA-N 1 0 379.254 2.768 20 0 GFADRO O=C(CC[N@@H+]1CCOC[C@@H]1C[C@H]1CCOC1)Nc1cccc(Br)c1 ZINC000933675560 664872223 /nfs/dbraw/zinc/87/22/23/664872223.db2.gz PNAZMYJROIHCKP-PBHICJAKSA-N 1 0 397.313 2.905 20 0 GFADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)C[C@@H]2C(=O)Nc3c2cccc3Br)C1 ZINC000933797415 664878379 /nfs/dbraw/zinc/87/83/79/664878379.db2.gz FYAWNRBDPZHUOJ-JSGCOSHPSA-N 1 0 394.313 2.675 20 0 GFADRO CCOC(=O)[C@@H]1[C@H](C)C[C@H](C)[N@H+](C[C@@H](O)P(=O)(OCC)OCC)[C@@H]1C ZINC000934166217 664891340 /nfs/dbraw/zinc/89/13/40/664891340.db2.gz NCQQIUFPWSYKBW-DGADGQDISA-N 1 0 379.434 2.869 20 0 GFADRO Cc1c(Br)cc(F)cc1C(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000934165051 664891344 /nfs/dbraw/zinc/89/13/44/664891344.db2.gz PIWBKKBJWFGOHQ-UHFFFAOYSA-N 1 0 386.309 2.652 20 0 GFADRO O=C(Nc1c(Br)cnn1C1CC1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000934377873 664904499 /nfs/dbraw/zinc/90/44/99/664904499.db2.gz OSSCLEWBWMBKQU-UHFFFAOYSA-N 1 0 391.273 2.730 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)C[C@H]2C(=O)Nc3ccc(Br)cc32)C[N@@H+]1C1CC1 ZINC000934396296 664905140 /nfs/dbraw/zinc/90/51/40/664905140.db2.gz PBRNBNOJKGMMFO-IFUGULHKSA-N 1 0 392.297 2.616 20 0 GFADRO Cc1c(Br)ccc(F)c1C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000934723266 664915519 /nfs/dbraw/zinc/91/55/19/664915519.db2.gz ATYGKDHLOYETOX-CYBMUJFWSA-N 1 0 385.277 2.880 20 0 GFADRO C[C@@H]1C[C@H]([NH2+][C@H](CO)c2ccccc2I)C[C@H](C)O1 ZINC000934827777 664925319 /nfs/dbraw/zinc/92/53/19/664925319.db2.gz JCGSBKXRVAPQAY-OXJKWZBOSA-N 1 0 375.250 2.870 20 0 GFADRO Cc1ncsc1CC[NH2+][C@@H](CO)c1ccccc1I ZINC000934828938 664926132 /nfs/dbraw/zinc/92/61/32/664926132.db2.gz VOPUOMCDRZTCFD-ZDUSSCGKSA-N 1 0 388.274 2.922 20 0 GFADRO Cc1cc(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)oc1Br ZINC000934915212 664929901 /nfs/dbraw/zinc/92/99/01/664929901.db2.gz WPDPTZSVSYSBLM-KGLIPLIRSA-N 1 0 385.302 2.848 20 0 GFADRO O=C(N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)C1(n2cc(Br)cn2)CC1 ZINC000935012566 664933892 /nfs/dbraw/zinc/93/38/92/664933892.db2.gz OAMKAFWJEMFZEQ-BBRMVZONSA-N 1 0 393.329 2.610 20 0 GFADRO Cc1cc(C(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)oc1Br ZINC000935090582 664939227 /nfs/dbraw/zinc/93/92/27/664939227.db2.gz KCLQCLQDJPMVFS-YIONKMFJSA-N 1 0 396.329 2.734 20 0 GFADRO CN(C(=O)COC1CC[NH+](C)CC1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000935477374 664964074 /nfs/dbraw/zinc/96/40/74/664964074.db2.gz KSOJCKBWTYSHTL-FUHWJXTLSA-N 1 0 387.307 2.521 20 0 GFADRO CCN(CCC[NH+](CC)CC)C(=O)c1cc(Br)cn2ncnc12 ZINC000935593400 664972462 /nfs/dbraw/zinc/97/24/62/664972462.db2.gz XGWWJVHCERQKTC-UHFFFAOYSA-N 1 0 382.306 2.686 20 0 GFADRO O=C(NCC1CC[NH+](C2CC2)CC1)c1ccc2c(Br)cnn2c1 ZINC000935680974 664980845 /nfs/dbraw/zinc/98/08/45/664980845.db2.gz PVTHSTACLDFQMG-UHFFFAOYSA-N 1 0 377.286 2.701 20 0 GFADRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1cnn2cccc(Br)c12 ZINC000935941746 665000492 /nfs/dbraw/zinc/00/04/92/665000492.db2.gz SOXPLYVWZCWVSE-STQMWFEESA-N 1 0 377.286 2.796 20 0 GFADRO Cc1ccc(Br)c2cc(C(=O)N3CC[C@H]([N@@H+]4CC[C@@H](O)C4)C3)[nH]c21 ZINC000935981322 665002410 /nfs/dbraw/zinc/00/24/10/665002410.db2.gz QAYYKRDPZQJOLS-QWHCGFSZSA-N 1 0 392.297 2.520 20 0 GFADRO Cc1ccc2[nH]c(C(=O)N3CC[C@H]([N@@H+]4CC[C@@H](O)C4)C3)cc2c1Br ZINC000935981854 665002450 /nfs/dbraw/zinc/00/24/50/665002450.db2.gz TVIPEEALRWPULF-QWHCGFSZSA-N 1 0 392.297 2.520 20 0 GFADRO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(C(=O)c3ccsc3Cl)C[C@H]2C)CC[N@@H+]1C ZINC000949003951 665009800 /nfs/dbraw/zinc/00/98/00/665009800.db2.gz FBWRXJOFDNTPGK-AYRXBEOTSA-N 1 0 383.945 2.709 20 0 GFADRO C[N@@H+]1CCCC[C@@H]1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1csc(Cl)c1)C2 ZINC000996386560 665030697 /nfs/dbraw/zinc/03/06/97/665030697.db2.gz YJKVDSZFILKCSE-CBBWQLFWSA-N 1 0 381.929 2.748 20 0 GFADRO Cc1csc(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C3)c1Cl ZINC001001698856 665052330 /nfs/dbraw/zinc/05/23/30/665052330.db2.gz LBDDEJNVWZJIFQ-YIYPIFLZSA-N 1 0 381.929 2.666 20 0 GFADRO C[C@@H]1CC[N@H+](CC(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ccc(Cl)s2)C3)C1 ZINC001006404419 665070355 /nfs/dbraw/zinc/07/03/55/665070355.db2.gz NXLQDRHIHSBFLK-SYQHCUMBSA-N 1 0 381.929 2.605 20 0 GFADRO O=C(NC1CCC([NH2+]Cc2csc(Cl)n2)CC1)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001026530632 665074846 /nfs/dbraw/zinc/07/48/46/665074846.db2.gz XRWRFCKHEMNYTQ-SFEHRALVSA-N 1 0 381.929 2.737 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000120727577 677397795 /nfs/dbraw/zinc/39/77/95/677397795.db2.gz LDWHLVHETYQAEM-UKRRQHHQSA-N 1 0 396.329 2.946 20 0 GFADRO Cc1csc(C[NH2+]CCOc2ccc(S(=O)(=O)C(F)(F)F)cc2)n1 ZINC000121655980 677400209 /nfs/dbraw/zinc/40/02/09/677400209.db2.gz LFKPOBFLHMBPQE-UHFFFAOYSA-N 1 0 380.413 2.914 20 0 GFADRO CCOC(=O)N1CCC([NH2+]C[C@@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000392232387 677409410 /nfs/dbraw/zinc/40/94/10/677409410.db2.gz BGHCQTWWSQRMBZ-CQSZACIVSA-N 1 0 391.295 2.944 20 0 GFADRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NC[C@H](C)[NH+]1CCCCC1 ZINC000391797422 677409489 /nfs/dbraw/zinc/40/94/89/677409489.db2.gz MJZPYXPCKDDJAO-LBPRGKRZSA-N 1 0 375.878 2.709 20 0 GFADRO Cn1ncc(Br)c1CNc1cccc2c1CC[N@H+](CC(C)(C)O)C2 ZINC000487568821 677673230 /nfs/dbraw/zinc/67/32/30/677673230.db2.gz GZZZAKKBUOJXPG-UHFFFAOYSA-N 1 0 393.329 2.924 20 0 GFADRO O=C(Nc1ccc(Br)cn1)[C@@H]1CCC[N@@H+](Cc2ncccc2O)C1 ZINC000580258990 677674010 /nfs/dbraw/zinc/67/40/10/677674010.db2.gz RWGHDFRLDJMGTR-GFCCVEGCSA-N 1 0 391.269 2.795 20 0 GFADRO Cc1cc(F)c(NC(=O)N2CCC[C@H](C[NH3+])C2)c(I)c1 ZINC000580290391 677674092 /nfs/dbraw/zinc/67/40/92/677674092.db2.gz VSFDEHZGHFALMG-SNVBAGLBSA-N 1 0 391.228 2.941 20 0 GFADRO Cc1cc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3ccsc3)C2)c(C)s1 ZINC001077228151 677676074 /nfs/dbraw/zinc/67/60/74/677676074.db2.gz WDJWVYNFFCGMJZ-BSDSXHPESA-N 1 0 376.547 2.891 20 0 GFADRO O=C(N[C@@H]1C[N@@H+](CC2CC(F)(F)C2)C[C@H]1O)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC001077567882 677676127 /nfs/dbraw/zinc/67/61/27/677676127.db2.gz NJMJHARLDFUIQN-FDYHWXHSSA-N 1 0 390.883 2.712 20 0 GFADRO FC(F)(c1nc(Cl)c2cc(Cl)ccc2n1)N1CCN2CC[NH2+]C[C@@H]2C1 ZINC001164392579 718830929 /nfs/dbraw/zinc/83/09/29/718830929.db2.gz QBNMIOCDRMVJJZ-LLVKDONJSA-N 1 0 388.249 2.575 20 0 GFADRO c1csc(-c2nc(-c3ccccc3)cc(N3CCN4CC[NH2+]C[C@@H]4C3)n2)c1 ZINC001164406625 718841165 /nfs/dbraw/zinc/84/11/65/718841165.db2.gz RWYDAPFRJUQHMO-QGZVFWFLSA-N 1 0 377.517 2.966 20 0 GFADRO Cc1ccc(-c2cc(C(F)(F)N3C[C@H]4C[NH2+]C[C@]4(CO)C3)c(Cl)nn2)cc1 ZINC001164403157 718854728 /nfs/dbraw/zinc/85/47/28/718854728.db2.gz HQTLHCFHGOOOGV-RDTXWAMCSA-N 1 0 394.853 2.668 20 0 GFADRO COc1ccccc1-c1cc(C(F)(F)N2CCOCC23C[NH2+]C3)c(Cl)nn1 ZINC001164402681 718861171 /nfs/dbraw/zinc/86/11/71/718861171.db2.gz LCAOVIICZNBNOS-UHFFFAOYSA-N 1 0 396.825 2.529 20 0 GFADRO FC(F)(c1cc(-c2ccco2)nnc1Cl)N1CCO[C@@H]2C[NH2+]CC[C@@H]2C1 ZINC001164408639 718864179 /nfs/dbraw/zinc/86/41/79/718864179.db2.gz MXFVVDGZVCCSHN-IAQYHMDHSA-N 1 0 384.814 2.750 20 0 GFADRO CCC[N@@H+]1CCCC[C@H]1c1ccc(N2CCn3nc(C(=O)OCC)nc3C2)nc1 ZINC001164616238 719006130 /nfs/dbraw/zinc/00/61/30/719006130.db2.gz MHCLDZXKNQXAQV-KRWDZBQOSA-N 1 0 398.511 2.807 20 0 GFADRO CN1CCc2nc(Cl)nc(N3CC[C@@]4(C[NH2+]C[C@@H]4c4ccccc4)C3)c2C1 ZINC001164618827 719048857 /nfs/dbraw/zinc/04/88/57/719048857.db2.gz BYUPTUHHPXVTNE-DYESRHJHSA-N 1 0 383.927 2.701 20 0 GFADRO O=c1ccccn1-c1nccc(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)n1 ZINC001164628613 719100941 /nfs/dbraw/zinc/10/09/41/719100941.db2.gz NUCXIJRCLRRRAT-VQTJNVASSA-N 1 0 387.487 2.728 20 0 GFADRO [NH3+]C1([C@@H]2CN(C(F)(F)Cc3nc4c(ncnc4Cl)s3)C[C@@H]2CF)CC1 ZINC001164621170 719126874 /nfs/dbraw/zinc/12/68/74/719126874.db2.gz LNIUJSNGVXHONY-DTWKUNHWSA-N 1 0 391.850 2.884 20 0 GFADRO COc1ccc(-c2ccc(N3CC[NH+](CC(C)C)CC3)nn2)c(OC)c1OC ZINC001164657673 719339202 /nfs/dbraw/zinc/33/92/02/719339202.db2.gz YAALIGYEYOVEDP-UHFFFAOYSA-N 1 0 386.496 2.947 20 0 GFADRO C[N@@H+]1CCO[C@@H]2CN(c3ccc(-c4ccc(C5OCCCO5)cc4)cn3)C[C@H]21 ZINC001164673849 719421544 /nfs/dbraw/zinc/42/15/44/719421544.db2.gz UYIUGCXVQUWBQY-WOJBJXKFSA-N 1 0 381.476 2.703 20 0 GFADRO C[N@@H+]1CCO[C@H]2CN(c3ncnc4cc(OCc5ccccc5)ccc43)C[C@@H]21 ZINC001164669454 719479108 /nfs/dbraw/zinc/47/91/08/719479108.db2.gz UYVWOXMBDPCASQ-SFTDATJTSA-N 1 0 376.460 2.728 20 0 GFADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1cc(-c3cccc(Cl)c3)ncn1)CC2 ZINC001164690029 719744211 /nfs/dbraw/zinc/74/42/11/719744211.db2.gz PVJQCCIVCMQEQB-UHFFFAOYSA-N 1 0 399.926 2.978 20 0 GFADRO CC[C@H](C)c1nc2[nH]ccc2c(N2CCC3(CCC[N@@H+]3CC(=O)NC)CC2)n1 ZINC001164690485 719757623 /nfs/dbraw/zinc/75/76/23/719757623.db2.gz CMMSFFAVVONKAS-HNNXBMFYSA-N 1 0 384.528 2.652 20 0 GFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1nccc(Cl)n1)C2 ZINC001164811691 720080920 /nfs/dbraw/zinc/08/09/20/720080920.db2.gz PGFBBKSMTHEECO-YOEHRIQHSA-N 1 0 386.874 2.860 20 0 GFADRO CCOC(=O)c1cc(F)cnc1N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COC ZINC001164807423 720083703 /nfs/dbraw/zinc/08/37/03/720083703.db2.gz FKORMFUKLZATGV-IIBYNOLFSA-N 1 0 391.487 2.582 20 0 GFADRO CCOC(=O)c1cnc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COC)c(C)c1 ZINC001164814844 720095043 /nfs/dbraw/zinc/09/50/43/720095043.db2.gz XGJRAJHISOMOFX-UGKGYDQZSA-N 1 0 387.524 2.751 20 0 GFADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncnc3c1CCC3)CC2 ZINC001164710047 720099404 /nfs/dbraw/zinc/09/94/04/720099404.db2.gz GEXFSHPEDSUIRL-IBGZPJMESA-N 1 0 393.535 2.868 20 0 GFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(Cl)nc3c1SCC3)C2 ZINC001164815358 720100543 /nfs/dbraw/zinc/10/05/43/720100543.db2.gz YPCXSKUHDIPGRA-IFXJQAMLSA-N 1 0 394.972 2.963 20 0 GFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ncc(C)cc1/C=C/C(=O)OC)C2 ZINC001164818753 720150671 /nfs/dbraw/zinc/15/06/71/720150671.db2.gz UMPJKUYMDGVIBF-RMHGUEDNSA-N 1 0 399.535 2.761 20 0 GFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ncccc1-c1nc(C)no1)C2 ZINC001164817733 720171668 /nfs/dbraw/zinc/17/16/68/720171668.db2.gz PYRYMSAIIYEROZ-UTKZUKDTSA-N 1 0 383.496 2.625 20 0 GFADRO Cc1csc2ncnc(N3CCCn4c(=O)cc(C[N@@H+](C)C(C)C)nc4C3)c12 ZINC001164811438 720208354 /nfs/dbraw/zinc/20/83/54/720208354.db2.gz HSKWFSYPXLNEBL-UHFFFAOYSA-N 1 0 398.536 2.807 20 0 GFADRO Cc1cc(N2CCCn3c(=O)cc(C[N@@H+](C)C(C)C)nc3C2)nc2[nH]ccc21 ZINC001164813383 720228675 /nfs/dbraw/zinc/22/86/75/720228675.db2.gz NQVHSBGMESLDGL-UHFFFAOYSA-N 1 0 380.496 2.679 20 0 GFADRO CSCc1ccnc(N2CCCn3c(=O)cc(C[N@H+](C)C(C)C)nc3C2)c1 ZINC001164817158 720243431 /nfs/dbraw/zinc/24/34/31/720243431.db2.gz PNCSXIHPBOMXSV-UHFFFAOYSA-N 1 0 387.553 2.752 20 0 GFADRO COc1cc(Cl)nc(N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c1 ZINC001164823843 720314454 /nfs/dbraw/zinc/31/44/54/720314454.db2.gz QGRCSAICBSGNKA-IAGOWNOFSA-N 1 0 392.931 2.655 20 0 GFADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2nc(Cl)cnc2Cl)CC1 ZINC001164820000 720314928 /nfs/dbraw/zinc/31/49/28/720314928.db2.gz GDXAKXXACAXBOP-KBPBESRZSA-N 1 0 398.338 2.695 20 0 GFADRO COc1cc(Cl)cc(N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164823168 720315867 /nfs/dbraw/zinc/31/58/67/720315867.db2.gz PCCFFZKNAWQLNY-IRXDYDNUSA-N 1 0 392.931 2.655 20 0 GFADRO Cc1cc(N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc(C(C)C)n1 ZINC001164823585 720337649 /nfs/dbraw/zinc/33/76/49/720337649.db2.gz HEHLLGXOBJEJEZ-MOPGFXCFSA-N 1 0 385.556 2.820 20 0 GFADRO CC(C)Cc1cc(N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)ncn1 ZINC001164827884 720342077 /nfs/dbraw/zinc/34/20/77/720342077.db2.gz NAAWTBFMJQWUFG-WOJBJXKFSA-N 1 0 385.556 2.587 20 0 GFADRO CCOC(=O)c1cnc(N2CC[C@@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)cc1OCC ZINC001164731454 720380844 /nfs/dbraw/zinc/38/08/44/720380844.db2.gz ZUYHBKXGSMHNFW-RTBURBONSA-N 1 0 396.491 2.905 20 0 GFADRO CC(C)(C)NC(=O)c1ccc(N2CC[C@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)nc1 ZINC001164728987 720384742 /nfs/dbraw/zinc/38/47/42/720384742.db2.gz UOYPYXOHWYZRGN-RBUKOAKNSA-N 1 0 379.508 2.858 20 0 GFADRO Fc1ncccc1-c1ccnc(N2CC[C@@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)n1 ZINC001164732492 720412376 /nfs/dbraw/zinc/41/23/76/720412376.db2.gz NTQKPBGYMFDUHL-MOPGFXCFSA-N 1 0 376.439 2.926 20 0 GFADRO CC1CCN(c2ccc(N3CC[C@@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)nn2)CC1 ZINC001164728730 720443715 /nfs/dbraw/zinc/44/37/15/720443715.db2.gz GGGUSLVQDUWVCE-WOJBJXKFSA-N 1 0 378.524 2.961 20 0 GFADRO COc1cc(OC)c2ncnc(N3CC[C@@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)c2c1 ZINC001164731905 720480471 /nfs/dbraw/zinc/48/04/71/720480471.db2.gz XZPBBHFIHSKVHP-RTBURBONSA-N 1 0 391.475 2.895 20 0 GFADRO COc1ccc2nc(Cl)nc(N3Cc4nccn4C[C@@H](C[NH+](C)C)C3)c2c1 ZINC001164727081 720505105 /nfs/dbraw/zinc/50/51/05/720505105.db2.gz ATKHMTNCMNSRDS-CYBMUJFWSA-N 1 0 386.887 2.686 20 0 GFADRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(c2nc(Cl)nc(-c3ccccc3)n2)C1 ZINC001164727230 720511929 /nfs/dbraw/zinc/51/19/29/720511929.db2.gz BTUIDJNNBOJNBR-CQSZACIVSA-N 1 0 383.887 2.587 20 0 GFADRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(c2ccc(NC(=O)OC(C)(C)C)cn2)C1 ZINC001164735136 720522659 /nfs/dbraw/zinc/52/26/59/720522659.db2.gz USOGLOHAQOATKN-OAHLLOKOSA-N 1 0 386.500 2.823 20 0 GFADRO COC(=O)c1cnc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c(C)c1 ZINC001164835318 720524657 /nfs/dbraw/zinc/52/46/57/720524657.db2.gz JWSVWDLWKLFZCH-XUVXKRRUSA-N 1 0 397.523 2.751 20 0 GFADRO Cc1nc(C)c(-c2ccc(N3Cc4nccn4C[C@@H](C[NH+](C)C)C3)nn2)s1 ZINC001164734246 720530678 /nfs/dbraw/zinc/53/06/78/720530678.db2.gz OZAWWKRKWKUAKX-OAHLLOKOSA-N 1 0 383.525 2.611 20 0 GFADRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(c2ncnc3[nH]c4cc(F)ccc4c32)C1 ZINC001164734483 720534520 /nfs/dbraw/zinc/53/45/20/720534520.db2.gz JAMXPYODSHWZEI-CYBMUJFWSA-N 1 0 379.443 2.645 20 0 GFADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3c(F)nc(F)nc3Cl)CC[C@@H]21 ZINC001164841497 720594044 /nfs/dbraw/zinc/59/40/44/720594044.db2.gz SIQLQIHZMLGTIW-RDBSUJKOSA-N 1 0 396.873 2.983 20 0 GFADRO Cc1cc(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)nc(-c2ccsc2)n1 ZINC001164737916 720779395 /nfs/dbraw/zinc/77/93/95/720779395.db2.gz DLNGVNLWVPHSSS-IAGOWNOFSA-N 1 0 394.504 2.645 20 0 GFADRO Cc1nc2ccoc2c(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164752586 720809238 /nfs/dbraw/zinc/80/92/38/720809238.db2.gz ZGEURAAWCBVLSK-ZIFCJYIRSA-N 1 0 393.495 2.502 20 0 GFADRO Fc1cnc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c(Cl)c1 ZINC001164739187 720823528 /nfs/dbraw/zinc/82/35/28/720823528.db2.gz HOXDDMZOTVYJIB-QILLFSRXSA-N 1 0 390.894 2.845 20 0 GFADRO Fc1cnc(Cl)cc1N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164739568 720826220 /nfs/dbraw/zinc/82/62/20/720826220.db2.gz HYFAWHYVZDNJBO-BFYDXBDKSA-N 1 0 390.894 2.845 20 0 GFADRO CC(C)(C)c1ccc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nn1 ZINC001164744566 720848223 /nfs/dbraw/zinc/84/82/23/720848223.db2.gz KQTNWBQLOZWJII-CEXWTWQISA-N 1 0 395.555 2.745 20 0 GFADRO Cc1cc(C(C)C)nc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164746905 720858110 /nfs/dbraw/zinc/85/81/10/720858110.db2.gz HEXAHFGUTFRADP-IRFCIJBXSA-N 1 0 395.555 2.879 20 0 GFADRO CCc1cc(CC)nc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164748673 720859212 /nfs/dbraw/zinc/85/92/12/720859212.db2.gz LNUMQKZLWJFGPW-IOMROCGXSA-N 1 0 395.555 2.572 20 0 GFADRO COCC[N@@H+]1CCO[C@H]2CN(c3nc(Cl)cc(C(C)(C)C)n3)CC[C@H]2C1 ZINC001164859019 720870028 /nfs/dbraw/zinc/87/00/28/720870028.db2.gz UBMKBPYOUPQMAU-GJZGRUSLSA-N 1 0 382.936 2.601 20 0 GFADRO CCc1ccc(-c2ccc(N3CC[C@H]4C[N@H+](CCOC)CCO[C@H]4C3)nn2)cc1 ZINC001164865301 720881154 /nfs/dbraw/zinc/88/11/54/720881154.db2.gz ZWTKCGIBEWODLW-UNMCSNQZSA-N 1 0 396.535 2.880 20 0 GFADRO COCC[N@@H+]1CCO[C@@H]2CN(c3cc(C)nc(-c4cccs4)n3)CC[C@@H]2C1 ZINC001164858598 720881472 /nfs/dbraw/zinc/88/14/72/720881472.db2.gz LHXXNHJDEKEMFE-IAGOWNOFSA-N 1 0 388.537 2.687 20 0 GFADRO C[N@H+](Cc1ccc(N2Cc3cncn3C[C@H](COCC3CC3)C2)nc1)C1CC1 ZINC001164757754 720981054 /nfs/dbraw/zinc/98/10/54/720981054.db2.gz QJENDHYTBMFJMZ-LJQANCHMSA-N 1 0 381.524 2.935 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4nccc(Oc5ccccc5)n4)C[C@@H]3C2)cn1 ZINC001164767634 721097869 /nfs/dbraw/zinc/09/78/69/721097869.db2.gz MOMRRTWSEYFZNE-OALUTQOASA-N 1 0 390.491 2.961 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4nnc(Cl)c5c4CCCC5)C[C@H]3C2)cn1 ZINC001164762148 721118629 /nfs/dbraw/zinc/11/86/29/721118629.db2.gz CDCCLSLZWIAAGZ-JKSUJKDBSA-N 1 0 386.931 2.701 20 0 GFADRO COC(OC)c1cc(C)cnc1N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164879506 721123391 /nfs/dbraw/zinc/12/33/91/721123391.db2.gz SVBUHUPPTOBCSI-RTBURBONSA-N 1 0 398.507 2.556 20 0 GFADRO CCc1cc2c(ncnc2N2C[C@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)s1 ZINC001164763377 721124242 /nfs/dbraw/zinc/12/42/42/721124242.db2.gz FIMHJDSKPGOHGK-HZPDHXFCSA-N 1 0 382.537 2.946 20 0 GFADRO CSc1ncc(Cl)nc1N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164871563 721132486 /nfs/dbraw/zinc/13/24/86/721132486.db2.gz FIMOCSUNVIYCSE-HUUCEWRRSA-N 1 0 391.928 2.727 20 0 GFADRO Cc1cc(N2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@H]3C2)nc(-c2ccccn2)n1 ZINC001164766691 721192253 /nfs/dbraw/zinc/19/22/53/721192253.db2.gz JCBCMABYUBWOST-OALUTQOASA-N 1 0 389.507 2.539 20 0 GFADRO Cc1cc(C(F)(F)N2C[C@@H]3C[N@H+](Cc4cnn(C)c4)CC[C@@H]3C2)c(Cl)nn1 ZINC001164769161 721206570 /nfs/dbraw/zinc/20/65/70/721206570.db2.gz LVCNKFHXRANJQJ-CABCVRRESA-N 1 0 396.873 2.675 20 0 GFADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3[C@H](C2)OCCN3c2cnccn2)nc1 ZINC001164763740 721266239 /nfs/dbraw/zinc/26/62/39/721266239.db2.gz FWUPNDVQDZYMAA-AQNXPRMDSA-N 1 0 394.523 2.513 20 0 GFADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4ncc(F)cc4Cl)C3)O2)CC1 ZINC001164885767 721402870 /nfs/dbraw/zinc/40/28/70/721402870.db2.gz HHBIXSBMOWDKIE-QFBILLFUSA-N 1 0 382.911 2.640 20 0 GFADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4cc(Cl)ncc4F)C3)O2)CC1 ZINC001164884607 721408038 /nfs/dbraw/zinc/40/80/38/721408038.db2.gz FEWGKWOVLMCHKR-BEFAXECRSA-N 1 0 382.911 2.640 20 0 GFADRO CC(C)Oc1cccc(N2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)n1 ZINC001164885185 721418373 /nfs/dbraw/zinc/41/83/73/721418373.db2.gz GEKRQIUJLSMDDH-DENIHFKCSA-N 1 0 388.556 2.634 20 0 GFADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncc(C)cc1N)CC2 ZINC001164789847 721464010 /nfs/dbraw/zinc/46/40/10/721464010.db2.gz XRIFBVRNMIMNQD-LJQANCHMSA-N 1 0 388.556 2.706 20 0 GFADRO Cn1cnc2cnc(N3CCC4(CC([N@H+](C)Cc5ccncc5)C4)CC3)nc21 ZINC001164792451 721494855 /nfs/dbraw/zinc/49/48/55/721494855.db2.gz PBFQBMZYBFCAFK-UHFFFAOYSA-N 1 0 377.496 2.639 20 0 GFADRO COCc1nc(OC)cc(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)n1 ZINC001164796317 721503925 /nfs/dbraw/zinc/50/39/25/721503925.db2.gz RNEJHVCDFXYSBA-UHFFFAOYSA-N 1 0 397.523 2.908 20 0 GFADRO CN(C)c1nc(Cl)cc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)n1 ZINC001164897765 721509380 /nfs/dbraw/zinc/50/93/80/721509380.db2.gz GNHQDIXIISPSBI-GDBMZVCRSA-N 1 0 391.878 2.677 20 0 GFADRO CCOC(=O)Cc1cccnc1N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164900148 721517682 /nfs/dbraw/zinc/51/76/82/721517682.db2.gz OPEBOQTUCFXRKL-AZUAARDMSA-N 1 0 399.466 2.668 20 0 GFADRO COC(=O)c1cnc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)c(C)c1 ZINC001164899115 721524664 /nfs/dbraw/zinc/52/46/64/721524664.db2.gz KDXUIUJTRLFVQT-IEBWSBKVSA-N 1 0 385.439 2.658 20 0 GFADRO Fc1cccc(O[C@@H]2C[C@@H]3CN(c4nccc(N5CCCCC5)n4)CC[N@@H+]3C2)c1 ZINC001164903390 721543319 /nfs/dbraw/zinc/54/33/19/721543319.db2.gz CHVNIUHJLSPLOI-UYAOXDASSA-N 1 0 397.498 2.948 20 0 GFADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncnc3c2CCCC3)[C@H]2CCCO[C@@H]12 ZINC001164800777 721548637 /nfs/dbraw/zinc/54/86/37/721548637.db2.gz DMWDTDHLJHDSCI-PWRODBHTSA-N 1 0 379.508 2.619 20 0 GFADRO CC(C)n1cnc2cnc(N3CC[N@@H+]4C[C@@H](Oc5cccc(F)c5)C[C@H]4C3)nc21 ZINC001164907190 721554588 /nfs/dbraw/zinc/55/45/88/721554588.db2.gz MNOUQHXBOXSUKI-WMZOPIPTSA-N 1 0 396.470 2.888 20 0 GFADRO CN(C)c1ccc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)nn1 ZINC001164908252 721585639 /nfs/dbraw/zinc/58/56/39/721585639.db2.gz YESKOSWQVUXBQP-IBGZPJMESA-N 1 0 388.466 2.675 20 0 GFADRO COc1cncc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)n1 ZINC001164904244 721691704 /nfs/dbraw/zinc/69/17/04/721691704.db2.gz DYOVNJHACYQLEF-GOSISDBHSA-N 1 0 375.423 2.618 20 0 GFADRO CC(C)N(C)Cc1nnc2n1CCCN(c1ccc(C[N@H+](C)C3CC3)cn1)C2 ZINC001165008583 721715002 /nfs/dbraw/zinc/71/50/02/721715002.db2.gz HMUCHKHGHHZJKG-UHFFFAOYSA-N 1 0 383.544 2.518 20 0 GFADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2ncc3ccc(Cl)cc3n2)CC1 ZINC001165011909 721740207 /nfs/dbraw/zinc/74/02/07/721740207.db2.gz XCEFLYUYCJXLOU-UHFFFAOYSA-N 1 0 387.915 2.806 20 0 GFADRO CCOC(=O)c1ccc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)nn1 ZINC001165022250 721804643 /nfs/dbraw/zinc/80/46/43/721804643.db2.gz IJAXAUFJQVLTON-XKGZKEIXSA-N 1 0 395.507 2.785 20 0 GFADRO CCNC(=O)c1ccc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)nc1 ZINC001165027079 721822956 /nfs/dbraw/zinc/82/29/56/721822956.db2.gz RTKKJOQFXORNDH-TYPHKJRUSA-N 1 0 393.535 2.963 20 0 GFADRO CSc1nc(Cl)cc(C(F)(F)N2CC[C@@H]3[C@@H]2CCN3CC[NH+](C)C)n1 ZINC001164932756 721850857 /nfs/dbraw/zinc/85/08/57/721850857.db2.gz ZZXNDBIVLVBDNQ-NEPJUHHUSA-N 1 0 391.919 2.611 20 0 GFADRO C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2c1cc(Cl)nc(Cc2ccccc2)n1 ZINC001164924530 721859504 /nfs/dbraw/zinc/85/95/04/721859504.db2.gz CIGKQWGRNIUILC-ROUUACIJSA-N 1 0 385.943 2.935 20 0 GFADRO COc1ccc2nc(N3CC[C@@H]4[C@@H]3CCN4CC[NH+](C)C)c(Cl)nc2c1 ZINC001164926237 721859718 /nfs/dbraw/zinc/85/97/18/721859718.db2.gz IAOAEEVALFODOL-SJORKVTESA-N 1 0 375.904 2.506 20 0 GFADRO C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2C(F)(F)Cc1nc(Cl)cc(Cl)n1 ZINC001164926319 721875239 /nfs/dbraw/zinc/87/52/39/721875239.db2.gz RIXCYYIATCQJIV-NEPJUHHUSA-N 1 0 394.297 2.629 20 0 GFADRO CCc1nc2sc3c(c2c(N2CC[C@H]4[C@H]2CC[N@@H+]4CCN(C)C)n1)CCC3 ZINC001164931931 721877920 /nfs/dbraw/zinc/87/79/20/721877920.db2.gz GUAKEHCMMNEVSJ-JKSUJKDBSA-N 1 0 385.581 2.957 20 0 GFADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4cc(C(N)=O)cc(C)n4)CC3)C2)cc1 ZINC001164939708 721933123 /nfs/dbraw/zinc/93/31/23/721933123.db2.gz AFVZZZOOPPKHHK-UHFFFAOYSA-N 1 0 394.519 2.669 20 0 GFADRO C[NH+](C)CC1CCN(c2ccc(N3CCN(c4ccccc4)CC3)nn2)CC1 ZINC001165044509 721949485 /nfs/dbraw/zinc/94/94/85/721949485.db2.gz CQCYLKPWNSZZSH-UHFFFAOYSA-N 1 0 380.540 2.581 20 0 GFADRO COc1ccccc1-c1ccnc(N2CC[NH+](CCc3ccccn3)CC2)n1 ZINC001165056080 722018337 /nfs/dbraw/zinc/01/83/37/722018337.db2.gz VKXVJLYVTLAEEN-UHFFFAOYSA-N 1 0 375.476 2.912 20 0 GFADRO CC(C)(C)OC(=O)c1cnc(Cl)cc1N1C[C@@H]2C[N@@H+](CC3CC3)C[C@H](C1)O2 ZINC001164967554 722073230 /nfs/dbraw/zinc/07/32/30/722073230.db2.gz PKYACJOTGLEVRE-GASCZTMLSA-N 1 0 393.915 2.990 20 0 GFADRO Fc1cnc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c2[nH]ccc21 ZINC001164985495 722134498 /nfs/dbraw/zinc/13/44/98/722134498.db2.gz ZQCZXJUQRRZHRH-QFBILLFUSA-N 1 0 381.455 2.824 20 0 GFADRO C[NH+](C)CCOCc1ncn2c1CN(c1cc(-c3ccccc3)ncn1)CCC2 ZINC001165004419 722256052 /nfs/dbraw/zinc/25/60/52/722256052.db2.gz RNRLSGFQRWBSCI-UHFFFAOYSA-N 1 0 392.507 2.829 20 0 GFADRO COc1ccc(Br)c(CNc2cc(-n3cccn3)nc(N)[nH+]2)c1 ZINC000540078348 532735396 /nfs/dbraw/zinc/73/53/96/532735396.db2.gz UBAUKAZXPDHUEJ-UHFFFAOYSA-N 1 0 375.230 2.628 20 0 GFADRO CC(=O)N1CCc2ccccc2[C@H]1CC(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000097151168 209242242 /nfs/dbraw/zinc/24/22/42/209242242.db2.gz BYFHPBZFWYPMJM-HSZRJFAPSA-N 1 0 391.515 2.697 20 0 GFADRO Cc1nn(C)c(Cl)c1[C@@H]1CCCN1C(=O)c1ccnc(OCC[NH+](C)C)c1 ZINC000359907836 209201179 /nfs/dbraw/zinc/20/11/79/209201179.db2.gz ZMRQYIJNOBBFEA-HNNXBMFYSA-N 1 0 391.903 2.695 20 0 GFADRO CC(C)(C)Oc1cccc(CCC(=O)NC[C@@H]2CCC[C@@H]2[NH+]2CCOCC2)n1 ZINC000359877002 209197636 /nfs/dbraw/zinc/19/76/36/209197636.db2.gz VKQOGTUTGMMHMR-HKUYNNGSSA-N 1 0 389.540 2.809 20 0 GFADRO COc1ccc2c(c1)OCCC[C@H]2[NH2+]C1CCN(S(=O)(=O)C(C)C)CC1 ZINC000359955371 209205186 /nfs/dbraw/zinc/20/51/86/209205186.db2.gz BNYCWGJFSBZQSF-GOSISDBHSA-N 1 0 382.526 2.701 20 0 GFADRO COc1ccc(CCC(=O)N(C)C2CC[NH+](C(C)C)CC2)c(OC)c1OC ZINC000055117325 212059798 /nfs/dbraw/zinc/05/97/98/212059798.db2.gz LPAPPOWMAGDNRV-UHFFFAOYSA-N 1 0 378.513 2.976 20 0 GFADRO CCc1ncc(C[NH2+]CCOc2ccc(I)cc2)cn1 ZINC000414460805 563741008 /nfs/dbraw/zinc/74/10/08/563741008.db2.gz YLRNBRXIXWGSKY-UHFFFAOYSA-N 1 0 383.233 2.812 20 0 GFADRO C[C@@H](CNS(=O)(=O)c1ccccc1Br)C[NH+]1CCCCC1 ZINC000040446435 551135009 /nfs/dbraw/zinc/13/50/09/551135009.db2.gz TVGQIZNFNXOHKN-ZDUSSCGKSA-N 1 0 375.332 2.849 20 0 GFADRO C[C@@H]1C[NH+](CCCNC(=O)COc2ccc(Cl)cc2Cl)C[C@@H](C)O1 ZINC000042120068 551138137 /nfs/dbraw/zinc/13/81/37/551138137.db2.gz RYQQZDXSERVGFN-CHWSQXEVSA-N 1 0 375.296 2.988 20 0 GFADRO CC1CC[NH+](CCCNC(=O)C(=O)Nc2ccc(Br)cc2)CC1 ZINC000049298537 551158692 /nfs/dbraw/zinc/15/86/92/551158692.db2.gz LMIRVHYDQVYLDM-UHFFFAOYSA-N 1 0 382.302 2.626 20 0 GFADRO CC[NH+](CC)[C@H](CNC(=O)CSc1nncs1)c1cccc(OC)c1 ZINC000051209915 551162819 /nfs/dbraw/zinc/16/28/19/551162819.db2.gz WAYSCOZZEDCWEL-OAHLLOKOSA-N 1 0 380.539 2.838 20 0 GFADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)c2cc3sc(N(C)C)nc3s2)C1 ZINC000053761893 551167709 /nfs/dbraw/zinc/16/77/09/551167709.db2.gz HMXIQUQYWFPGTG-GFCCVEGCSA-N 1 0 382.555 2.510 20 0 GFADRO C[NH+](C)C1(CNS(=O)(=O)c2ccc(F)cc2Br)CCCC1 ZINC000055239762 551171694 /nfs/dbraw/zinc/17/16/94/551171694.db2.gz CDYHGPOJTDMSLC-UHFFFAOYSA-N 1 0 379.295 2.741 20 0 GFADRO C[C@@H](CNS(=O)(=O)c1ccc(F)cc1Br)C[NH+]1CCCCC1 ZINC000055281181 551172787 /nfs/dbraw/zinc/17/27/87/551172787.db2.gz RVYOPJTWKAAXHL-LBPRGKRZSA-N 1 0 393.322 2.989 20 0 GFADRO COc1cc(C[NH2+]CCS(=O)(=O)NCc2ccccc2)ccc1SC ZINC000063916658 551184636 /nfs/dbraw/zinc/18/46/36/551184636.db2.gz NOHXQZUZPVKQHA-UHFFFAOYSA-N 1 0 380.535 2.626 20 0 GFADRO CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2cc(Br)ccc2C)C1 ZINC000067393470 551188063 /nfs/dbraw/zinc/18/80/63/551188063.db2.gz HLIHEPFSCHTRIP-CYBMUJFWSA-N 1 0 382.302 2.544 20 0 GFADRO C[N@H+](CCNC(=O)C(=O)Nc1ccc(Br)cc1)Cc1ccccc1 ZINC000067380243 551188258 /nfs/dbraw/zinc/18/82/58/551188258.db2.gz MJXVUWDSYCXADT-UHFFFAOYSA-N 1 0 390.281 2.636 20 0 GFADRO CC[N@@H+]1CCCN(Cc2nc(Cc3cccc(Br)c3)no2)CC1 ZINC000067485913 551189314 /nfs/dbraw/zinc/18/93/14/551189314.db2.gz NLXICIRKAHBHES-UHFFFAOYSA-N 1 0 379.302 2.951 20 0 GFADRO O[C@H](C[NH2+]Cc1cc(Br)cs1)COc1ccc2c(c1)OCO2 ZINC000067975958 551191046 /nfs/dbraw/zinc/19/10/46/551191046.db2.gz INJFOPSKYHIWJH-LLVKDONJSA-N 1 0 386.267 2.769 20 0 GFADRO C[C@H](CC[NH+](C)C)NC(=O)C(=O)Nc1ccccc1SCC(F)(F)F ZINC000068644943 551193151 /nfs/dbraw/zinc/19/31/51/551193151.db2.gz QSTVZEWAEOJZHF-LLVKDONJSA-N 1 0 377.432 2.736 20 0 GFADRO Brc1ccc2ncc(CN3CCC[N@@H+](C4CCOCC4)CC3)n2c1 ZINC000093513012 551195107 /nfs/dbraw/zinc/19/51/07/551195107.db2.gz QGSFFHNLZFDABB-UHFFFAOYSA-N 1 0 393.329 2.784 20 0 GFADRO COc1cc[nH+]c(N2CCN(C(=O)c3cc(Br)ccc3O)CC2)c1 ZINC000104920432 551199220 /nfs/dbraw/zinc/19/92/20/551199220.db2.gz BTLZDDJCDTUGGM-UHFFFAOYSA-N 1 0 392.253 2.521 20 0 GFADRO O=C(NCc1ccc(Br)cc1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000106578110 551200580 /nfs/dbraw/zinc/20/05/80/551200580.db2.gz HRCCILBQPJZWBT-UHFFFAOYSA-N 1 0 375.270 2.876 20 0 GFADRO Brc1cc2c(cc1CN1CCC[C@H](C[NH+]3CCOCC3)C1)OCO2 ZINC000112201287 551204928 /nfs/dbraw/zinc/20/49/28/551204928.db2.gz JIVGSUPRFOTPGV-CQSZACIVSA-N 1 0 397.313 2.722 20 0 GFADRO CC(=O)Nc1nc(C(=O)NCC2([NH+]3CCSCC3)CCCCC2)cs1 ZINC000112199100 551205023 /nfs/dbraw/zinc/20/50/23/551205023.db2.gz SUDMCEDDMOMTGU-UHFFFAOYSA-N 1 0 382.555 2.583 20 0 GFADRO CCC[N@@H+]1CCC[C@@H]1C(=O)NCC(=O)Nc1ccc(Br)cc1C ZINC000115848491 551210100 /nfs/dbraw/zinc/21/01/00/551210100.db2.gz CWCAXSLUQGYCJN-OAHLLOKOSA-N 1 0 382.302 2.687 20 0 GFADRO CN(C)C(=O)C1CC[NH+](CC(=O)N(C)Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000119680038 551218554 /nfs/dbraw/zinc/21/85/54/551218554.db2.gz RZLYTHXXIWYSOS-UHFFFAOYSA-N 1 0 386.323 2.752 20 0 GFADRO Cc1cccc(NC(=O)C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)c1Br ZINC000121062919 551226338 /nfs/dbraw/zinc/22/63/38/551226338.db2.gz FBVZCIQGTBXNMW-CQSZACIVSA-N 1 0 394.313 2.640 20 0 GFADRO CCC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)Cc2ccc(Br)cc2)C1 ZINC000121083454 551226615 /nfs/dbraw/zinc/22/66/15/551226615.db2.gz DJZBKVDLUMNJNG-HNNXBMFYSA-N 1 0 389.359 2.943 20 0 GFADRO O=C(CC[N@@H+]1CCCN(C(=O)C2CC2)CC1)Nc1ccc(Br)cc1 ZINC000121314661 551231612 /nfs/dbraw/zinc/23/16/12/551231612.db2.gz ROWZPHVHNNTYFI-UHFFFAOYSA-N 1 0 394.313 2.722 20 0 GFADRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)c1cn(-c2ccc(Br)cc2)cn1 ZINC000121705569 551240205 /nfs/dbraw/zinc/24/02/05/551240205.db2.gz HEHKSAYOPDFJBI-ZDUSSCGKSA-N 1 0 389.297 2.849 20 0 GFADRO CCS(=O)(=O)c1ccccc1C(=O)NCc1cn2cc(Cl)ccc2n1 ZINC000121852162 551243843 /nfs/dbraw/zinc/24/38/43/551243843.db2.gz FCEQKMRRUIBKPD-UHFFFAOYSA-N 1 0 377.853 2.711 20 0 GFADRO C[C@H](CNC(=O)c1ccc(Cl)cc1Br)C[NH+]1CCN(C)CC1 ZINC000121883032 551244684 /nfs/dbraw/zinc/24/46/84/551244684.db2.gz GLXWBHIQTLGCFM-GFCCVEGCSA-N 1 0 388.737 2.716 20 0 GFADRO COCC[N@H+](C)CCCNC(=O)Nc1cc(F)c(Br)cc1F ZINC000121946979 551293285 /nfs/dbraw/zinc/29/32/85/551293285.db2.gz NCKDNBPANMQWSW-UHFFFAOYSA-N 1 0 380.233 2.817 20 0 GFADRO CCN1CC[NH+](C[C@H](C)CNC(=O)COc2ccc(Cl)cc2Cl)CC1 ZINC000122475803 551298282 /nfs/dbraw/zinc/29/82/82/551298282.db2.gz SIPPFZPFWHWCQV-CQSZACIVSA-N 1 0 388.339 2.762 20 0 GFADRO Cc1ccc(Br)c(NC(=O)C(=O)NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)c1 ZINC000123343257 551305697 /nfs/dbraw/zinc/30/56/97/551305697.db2.gz WGUOYAJDAFDDCK-KBPBESRZSA-N 1 0 396.329 2.933 20 0 GFADRO C[C@@H]1C[NH+](CCCCNC(=O)COc2cccc(Br)c2)C[C@@H](C)O1 ZINC000123590818 551307169 /nfs/dbraw/zinc/30/71/69/551307169.db2.gz ZVFOKMBNCGJOJU-HUUCEWRRSA-N 1 0 399.329 2.834 20 0 GFADRO C[NH+](C)CCOc1cc(CNC(=O)Cc2ccc(Br)cc2)ccn1 ZINC000124282543 551312851 /nfs/dbraw/zinc/31/28/51/551312851.db2.gz YYQZVFFYVXZRFK-UHFFFAOYSA-N 1 0 392.297 2.643 20 0 GFADRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)c2ccc(Cl)c(S(C)(=O)=O)c2)C1 ZINC000124400079 551314140 /nfs/dbraw/zinc/31/41/40/551314140.db2.gz SLMQEEDMMLMUJO-CQSZACIVSA-N 1 0 386.945 2.841 20 0 GFADRO O=C(c1ccc(Br)c(O)c1)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000126389532 551329130 /nfs/dbraw/zinc/32/91/30/551329130.db2.gz TVMLZHSKKVBWMI-UHFFFAOYSA-N 1 0 397.313 2.872 20 0 GFADRO CN(CC(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1)[C@H]1CCSC1 ZINC000126516585 551330815 /nfs/dbraw/zinc/33/08/15/551330815.db2.gz BOIXIRUHOXPINF-SFHVURJKSA-N 1 0 379.595 2.654 20 0 GFADRO C[C@H]1C[C@@H](NC(=O)NCc2cc3c(c(Br)c2)OCO3)C[N@@H+]1C1CC1 ZINC000127453484 551340877 /nfs/dbraw/zinc/34/08/77/551340877.db2.gz KEVVYKVIBONMCK-CMPLNLGQSA-N 1 0 396.285 2.602 20 0 GFADRO C[C@@H](CCS(C)(=O)=O)[NH2+][C@@H](C)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000127457122 551341071 /nfs/dbraw/zinc/34/10/71/551341071.db2.gz GEUUIFOODIKHGJ-GJZGRUSLSA-N 1 0 387.567 2.877 20 0 GFADRO Cc1ccc(Br)c(S(=O)(=O)N(C)C[C@H]2CCC[N@H+](C)C2)c1 ZINC000127499314 551341471 /nfs/dbraw/zinc/34/14/71/551341471.db2.gz MCGHMBRPGYAZNU-ZDUSSCGKSA-N 1 0 375.332 2.720 20 0 GFADRO COCC[NH+]1CCC(NC(=O)c2cc(Cl)cc(Br)c2)CC1 ZINC000127733249 551344104 /nfs/dbraw/zinc/34/41/04/551344104.db2.gz PHWJJNBEHANXTF-UHFFFAOYSA-N 1 0 375.694 2.943 20 0 GFADRO CC(C)C[C@H](NC(=O)c1cc(F)c(Cl)cc1Cl)C(=O)NCC[NH+](C)C ZINC000127773062 551344706 /nfs/dbraw/zinc/34/47/06/551344706.db2.gz UBQACPKZHVHSDJ-HNNXBMFYSA-N 1 0 392.302 2.955 20 0 GFADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)[C@H](C)Sc1nc2ccccc2s1 ZINC000130488351 551365494 /nfs/dbraw/zinc/36/54/94/551365494.db2.gz KNSDGEFCXGGPNL-KBPBESRZSA-N 1 0 378.567 2.529 20 0 GFADRO C[C@@H](NC(=O)Nc1ccc(NS(C)(=O)=O)c(Cl)c1)C(C)(C)C[NH+](C)C ZINC000130753763 551368743 /nfs/dbraw/zinc/36/87/43/551368743.db2.gz GWYVZVNZLZNZCZ-LLVKDONJSA-N 1 0 390.937 2.809 20 0 GFADRO C[NH+](C)CCNC(=O)c1ccccc1Sc1ccc(S(C)(=O)=O)cc1 ZINC000131282610 551373690 /nfs/dbraw/zinc/37/36/90/551373690.db2.gz IHIDPGLPGZGINO-UHFFFAOYSA-N 1 0 378.519 2.533 20 0 GFADRO C[C@H](NC(=O)C(=O)Nc1ccc(F)c(Br)c1)C(C)(C)C[NH+](C)C ZINC000133166468 551382468 /nfs/dbraw/zinc/38/24/68/551382468.db2.gz BTQZEMNDAKOSQJ-JTQLQIEISA-N 1 0 388.281 2.619 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000133426779 551382902 /nfs/dbraw/zinc/38/29/02/551382902.db2.gz BKAOTMXRGTVXJO-GFCCVEGCSA-N 1 0 384.318 2.789 20 0 GFADRO C[N@H+](CC(=O)N(CCO)Cc1ccc(Cl)c(Cl)c1)[C@H]1CCSC1 ZINC000133480661 551383477 /nfs/dbraw/zinc/38/34/77/551383477.db2.gz FDKVPHBYASGBCB-ZDUSSCGKSA-N 1 0 377.337 2.752 20 0 GFADRO C[NH+](C)C1CN(C(=O)c2ccc(NC(=O)c3ccc(Br)o3)cc2)C1 ZINC000134971364 551386637 /nfs/dbraw/zinc/38/66/37/551386637.db2.gz ODPAFXLHUUXKKK-UHFFFAOYSA-N 1 0 392.253 2.680 20 0 GFADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)NCCOc3cccc(Br)c3)CC[C@@H]21 ZINC000137192310 551390950 /nfs/dbraw/zinc/39/09/50/551390950.db2.gz ZNEINDOOMNRMRC-PBHICJAKSA-N 1 0 396.329 2.954 20 0 GFADRO O=C(C[C@@H]1Sc2ccc(Cl)cc2NC1=O)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000141903020 551394898 /nfs/dbraw/zinc/39/48/98/551394898.db2.gz CYICKUYTFWUJSF-CJNGLKHVSA-N 1 0 379.913 2.840 20 0 GFADRO CC[NH+]1CCN(CCCNC(=O)[C@@H](C)Oc2cccc(Cl)c2Cl)CC1 ZINC000147623246 551398490 /nfs/dbraw/zinc/39/84/90/551398490.db2.gz AEEOEEGAVKWQAF-CQSZACIVSA-N 1 0 388.339 2.905 20 0 GFADRO CS[C@H](C)C(=O)NCc1cc(C(F)(F)F)ccc1N1CC[NH+](C)CC1 ZINC000150875764 551403150 /nfs/dbraw/zinc/40/31/50/551403150.db2.gz HZVSZXNAGWWPAS-GFCCVEGCSA-N 1 0 375.460 2.825 20 0 GFADRO C[NH2+][C@@H]1CCCN(C(=O)c2ccc(I)c(Cl)c2)C1 ZINC000150989117 551405294 /nfs/dbraw/zinc/40/52/94/551405294.db2.gz RDBRHYOUMFCOGS-SNVBAGLBSA-N 1 0 378.641 2.769 20 0 GFADRO O=S(=O)(C1CC1)N1CCC([NH2+]Cc2nc(-c3ccccc3)cs2)CC1 ZINC000151272514 551410322 /nfs/dbraw/zinc/41/03/22/551410322.db2.gz OBRQBPJCNRWBQE-UHFFFAOYSA-N 1 0 377.535 2.856 20 0 GFADRO COC(=O)CS(=O)(=O)Cc1ccc(C[NH2+]Cc2ccc(Cl)cc2)cc1 ZINC000151287572 551410716 /nfs/dbraw/zinc/41/07/16/551410716.db2.gz ZFPJTYDYZDNGLH-UHFFFAOYSA-N 1 0 381.881 2.718 20 0 GFADRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(S(=O)(=O)N3CCOCC3)s2)cc1 ZINC000152151076 551427358 /nfs/dbraw/zinc/42/73/58/551427358.db2.gz FBVAUIFRTBDVDG-OAHLLOKOSA-N 1 0 380.535 2.928 20 0 GFADRO O=C(NCCCC[N@H+]1CCC[C@@H]1CO)[C@H]1C[C@H]1c1cccc(Br)c1 ZINC000152151558 551427447 /nfs/dbraw/zinc/42/74/47/551427447.db2.gz LMMSOUULVACPGY-SQNIBIBYSA-N 1 0 395.341 2.906 20 0 GFADRO COCC[NH2+]CCNC(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1 ZINC000152365621 551431769 /nfs/dbraw/zinc/43/17/69/551431769.db2.gz LTOGAXBNDKJSOA-UHFFFAOYSA-N 1 0 381.885 2.620 20 0 GFADRO COCCCNC(=O)[C@@H](C)[N@H+](C)CC1(c2ccc(Br)cc2)CC1 ZINC000152605193 551436611 /nfs/dbraw/zinc/43/66/11/551436611.db2.gz XFTPJMMTCFAUCZ-CQSZACIVSA-N 1 0 383.330 2.954 20 0 GFADRO CC[C@H](CCO)C[NH2+]Cc1cc(I)c(OC)c(OC)c1 ZINC000152623986 551436884 /nfs/dbraw/zinc/43/68/84/551436884.db2.gz DPDMSPINBLMROB-LLVKDONJSA-N 1 0 393.265 2.807 20 0 GFADRO O=C(NCC[C@H]1CCC[NH2+]C1)c1cnn(-c2cccc(Br)c2)c1 ZINC000152651594 551437459 /nfs/dbraw/zinc/43/74/59/551437459.db2.gz GHFBCYBIVWXJRK-CYBMUJFWSA-N 1 0 377.286 2.754 20 0 GFADRO C[C@@H]1CCC[N@@H+]1C1CCN(C(=O)c2cc(I)c[nH]2)CC1 ZINC000152884183 551441849 /nfs/dbraw/zinc/44/18/49/551441849.db2.gz YGJKVJHWXWIUOB-LLVKDONJSA-N 1 0 387.265 2.708 20 0 GFADRO CN(Cc1cc(Br)cs1)C(=O)C[N@@H+]1CC[C@H]2OCCC[C@@H]2C1 ZINC000153074278 551446315 /nfs/dbraw/zinc/44/63/15/551446315.db2.gz ACMNSSZQOZPMMD-IUODEOHRSA-N 1 0 387.343 2.970 20 0 GFADRO Cc1nc(CSc2ccccc2C(=O)NC[C@@](C)(O)C[NH+](C)C)cs1 ZINC000153167696 551447299 /nfs/dbraw/zinc/44/72/99/551447299.db2.gz NWNMYUYTDNQCOF-GOSISDBHSA-N 1 0 379.551 2.786 20 0 GFADRO Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)NC[C@](C)(O)C[NH+](C)C ZINC000153255464 551449092 /nfs/dbraw/zinc/44/90/92/551449092.db2.gz XNXPUNPZHNZMDZ-KRWDZBQOSA-N 1 0 386.279 2.999 20 0 GFADRO C[C@@H]1CN(C(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CCCC2)C[C@@H](C)[NH2+]1 ZINC000153337490 551450690 /nfs/dbraw/zinc/45/06/90/551450690.db2.gz JXTSZLANMAWSPI-ZIAGYGMSSA-N 1 0 384.929 2.635 20 0 GFADRO CCN(C)C(=O)CC[NH+]1CCC(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000153349195 551450964 /nfs/dbraw/zinc/45/09/64/551450964.db2.gz HALQESPBKAAGQT-UHFFFAOYSA-N 1 0 396.329 2.968 20 0 GFADRO CSC[C@H](CCO)NC(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000153450852 551453375 /nfs/dbraw/zinc/45/33/75/551453375.db2.gz BZIHXMLPGRWLJG-IRXDYDNUSA-N 1 0 385.961 2.890 20 0 GFADRO Cc1ccc(NC(=O)c2cc(S(C)(=O)=O)cs2)c(OCC[NH+](C)C)c1 ZINC000153501909 551454416 /nfs/dbraw/zinc/45/44/16/551454416.db2.gz FIQQGIDNVWXQMT-UHFFFAOYSA-N 1 0 382.507 2.653 20 0 GFADRO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)c1cc(Br)c2c(c1)OCCO2 ZINC000153766000 551459945 /nfs/dbraw/zinc/45/99/45/551459945.db2.gz RRVWZILQAXMGPY-CQSZACIVSA-N 1 0 383.286 2.633 20 0 GFADRO CN(CC[NH+]1CCCC1)Cc1nc(Cc2cccc(Br)c2)no1 ZINC000153769067 551460161 /nfs/dbraw/zinc/46/01/61/551460161.db2.gz CPIDQWBHQNAOJL-UHFFFAOYSA-N 1 0 379.302 2.951 20 0 GFADRO C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+]CCS(=O)(=O)c1ccccc1 ZINC000154110570 551467918 /nfs/dbraw/zinc/46/79/18/551467918.db2.gz LWPNNCTWJUHYBT-CYBMUJFWSA-N 1 0 381.885 2.516 20 0 GFADRO CNC(=O)[C@H]1CCC[N@H+](Cc2ccnc(-c3ccc(Br)cc3)n2)C1 ZINC000154219111 551469692 /nfs/dbraw/zinc/46/96/92/551469692.db2.gz AVXJFDLDEXCZOA-AWEZNQCLSA-N 1 0 389.297 2.864 20 0 GFADRO C[C@@H](NC[C@@H](O)C[NH+](C)C)c1ccc(Br)cc1Br ZINC000154299593 551471768 /nfs/dbraw/zinc/47/17/68/551471768.db2.gz NQNYNUJFPJFPKV-MWLCHTKSSA-N 1 0 380.124 2.785 20 0 GFADRO Cc1c(C(=O)NC2(C[NH3+])CCCC2)cnn1-c1ccc(Br)cc1 ZINC000154339092 551472382 /nfs/dbraw/zinc/47/23/82/551472382.db2.gz PBYLTGWFAKUVSH-UHFFFAOYSA-N 1 0 377.286 2.945 20 0 GFADRO [NH3+]CC1(NC(=O)CCC[S@](=O)c2ccc(Br)cc2)CCCC1 ZINC000154389920 551474177 /nfs/dbraw/zinc/47/41/77/551474177.db2.gz GQBMQMWMBMJWLX-JOCHJYFZSA-N 1 0 387.343 2.725 20 0 GFADRO C[NH+](C)CCCC1CCN(C(=O)C(=O)Nc2ccc(Br)cc2)CC1 ZINC000154572735 551478419 /nfs/dbraw/zinc/47/84/19/551478419.db2.gz PPZGZRVGRNIVAN-UHFFFAOYSA-N 1 0 396.329 2.968 20 0 GFADRO C[C@H](CNC(=O)[C@H](C)Cc1ccc(Br)cc1)C[NH+]1CCN(C)CC1 ZINC000154726891 551481673 /nfs/dbraw/zinc/48/16/73/551481673.db2.gz YXGSGOFQBNETAW-HZPDHXFCSA-N 1 0 396.373 2.627 20 0 GFADRO C[NH+](C)CC[C@@H](NC(=O)CNC(=O)c1ccc(Br)cc1)C(C)(C)C ZINC000154953314 551486615 /nfs/dbraw/zinc/48/66/15/551486615.db2.gz LXXJVAUMBVDZOR-OAHLLOKOSA-N 1 0 398.345 2.662 20 0 GFADRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CNC(=O)c2ccc(Cl)cc2Cl)C1 ZINC000155393151 551499009 /nfs/dbraw/zinc/49/90/09/551499009.db2.gz WKUKNNWHSRKUDO-MLGOLLRUSA-N 1 0 384.307 2.666 20 0 GFADRO O=C(NC[C@H](O)c1cc(Cl)cc(Cl)c1)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC000155431450 551499428 /nfs/dbraw/zinc/49/94/28/551499428.db2.gz MOESOFZDWNQCMW-SJORKVTESA-N 1 0 387.307 2.786 20 0 GFADRO CC[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2cccc(C)c2Br)C1 ZINC000155785874 551507712 /nfs/dbraw/zinc/50/77/12/551507712.db2.gz CHMOSXRMARWTQG-ZDUSSCGKSA-N 1 0 375.332 2.768 20 0 GFADRO COC(=O)Cn1cc(CC[N@H+](Cc2ccc(Cl)c(Cl)c2)C2CC2)nn1 ZINC000156249016 551518302 /nfs/dbraw/zinc/51/83/02/551518302.db2.gz GTUFCFXTKJJXLR-UHFFFAOYSA-N 1 0 383.279 2.965 20 0 GFADRO CS(=O)(=O)Nc1ccc(C(F)(F)F)cc1NC(=O)CCCCCC[NH3+] ZINC000156234710 551518407 /nfs/dbraw/zinc/51/84/07/551518407.db2.gz SKBIMPBFKHSOLX-UHFFFAOYSA-N 1 0 381.420 2.925 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000156436322 551522912 /nfs/dbraw/zinc/52/29/12/551522912.db2.gz USNJNGBLZYBJJO-ZDUSSCGKSA-N 1 0 377.286 2.641 20 0 GFADRO CC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2cc(F)ccc2Br)C1 ZINC000156470375 551523629 /nfs/dbraw/zinc/52/36/29/551523629.db2.gz CGHKDDFIJUUMQU-NSHDSACASA-N 1 0 379.295 2.551 20 0 GFADRO Cc1cc(C[NH+](C)C)cc(NC(=O)CNC(=O)c2ccc(Br)o2)c1 ZINC000156765592 551527929 /nfs/dbraw/zinc/52/79/29/551527929.db2.gz VEGBDCNCGIFBNS-UHFFFAOYSA-N 1 0 394.269 2.781 20 0 GFADRO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)CCc1nc(-c2cc(Br)cs2)no1 ZINC000157590555 551539782 /nfs/dbraw/zinc/53/97/82/551539782.db2.gz XQVXXQNGTWVZJW-GXSJLCMTSA-N 1 0 399.314 2.737 20 0 GFADRO CC[C@@H]([NH2+]CCNS(=O)(=O)c1cccnc1)c1ccc(Br)cc1 ZINC000158464915 551552234 /nfs/dbraw/zinc/55/22/34/551552234.db2.gz LWABWTDZNKUMDY-MRXNPFEDSA-N 1 0 398.326 2.863 20 0 GFADRO [NH3+][C@@H]1CCCN(C(=O)c2nn(-c3cccc(Br)c3)c3c2CCC3)C1 ZINC000158599282 551554507 /nfs/dbraw/zinc/55/45/07/551554507.db2.gz RNXIYVXEWXUFRK-CYBMUJFWSA-N 1 0 389.297 2.687 20 0 GFADRO CCCC[NH+]1CCC(NS(=O)(=O)c2ccc(Cl)cc2C(=O)OC)CC1 ZINC000158759271 551556326 /nfs/dbraw/zinc/55/63/26/551556326.db2.gz ZAXHIQWRAGLEII-UHFFFAOYSA-N 1 0 388.917 2.669 20 0 GFADRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 ZINC000158832373 551557383 /nfs/dbraw/zinc/55/73/83/551557383.db2.gz BXZXYORXJYVRTH-IYBDPMFKSA-N 1 0 385.961 2.519 20 0 GFADRO O=C(c1cc(Cl)ccc1I)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000159002261 551559922 /nfs/dbraw/zinc/55/99/22/551559922.db2.gz MUSNSTMYEDGQNO-CQSZACIVSA-N 1 0 390.652 2.770 20 0 GFADRO CCC[NH+]1CCC(NC(=O)Cc2cccc(I)c2)CC1 ZINC000159042775 551560423 /nfs/dbraw/zinc/56/04/23/551560423.db2.gz COQOAXLARURKOU-UHFFFAOYSA-N 1 0 386.277 2.824 20 0 GFADRO C[N@@H+]1CCCN(C(=O)c2cc(Br)ccc2Br)CC1 ZINC000160055611 551574773 /nfs/dbraw/zinc/57/47/73/551574773.db2.gz RWATUVSGYIVDSW-UHFFFAOYSA-N 1 0 376.092 2.989 20 0 GFADRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)c2cncc(I)c2)C1 ZINC000161567895 551596099 /nfs/dbraw/zinc/59/60/99/551596099.db2.gz GZMSQSGOWUCXKM-LBPRGKRZSA-N 1 0 387.265 2.536 20 0 GFADRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)c2cccc(I)c2)C1 ZINC000161754601 551598238 /nfs/dbraw/zinc/59/82/38/551598238.db2.gz SAPWIBXMJHAECB-CYBMUJFWSA-N 1 0 386.277 2.999 20 0 GFADRO CC(C)c1cc(Br)ccc1NC(=O)C(=O)N1CCC[N@H+](C)CC1 ZINC000162048952 551602345 /nfs/dbraw/zinc/60/23/45/551602345.db2.gz BIKVWWOAPXGGOG-UHFFFAOYSA-N 1 0 382.302 2.675 20 0 GFADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H](C)c3ccc(Br)cc3)C2)CC1 ZINC000162183614 551604675 /nfs/dbraw/zinc/60/46/75/551604675.db2.gz LPULERVFQBKVEM-MAUKXSAKSA-N 1 0 394.357 2.791 20 0 GFADRO C[NH+](C)CCCOc1cccc(NC(=O)c2csc(S(C)(=O)=O)c2)c1 ZINC000162552156 551609714 /nfs/dbraw/zinc/60/97/14/551609714.db2.gz VFUYGEVIAYHYFR-UHFFFAOYSA-N 1 0 382.507 2.734 20 0 GFADRO Cc1ccc(C[NH+]2CCC(C(=O)N3CCOCC3)CC2)cc1Br ZINC000162670144 551611474 /nfs/dbraw/zinc/61/14/74/551611474.db2.gz PQQDDQLOVQGFIX-UHFFFAOYSA-N 1 0 381.314 2.828 20 0 GFADRO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)C[NH2+][C@@H](C)[C@@H]1CCOC1 ZINC000162808458 551613168 /nfs/dbraw/zinc/61/31/68/551613168.db2.gz IOQWYKBUWXTFDG-VHSXEESVSA-N 1 0 375.252 2.733 20 0 GFADRO Cc1ccc(N2CCC([NH2+][C@H](C)Cn3cc(Br)cn3)CC2)nc1 ZINC000163493863 551620002 /nfs/dbraw/zinc/62/00/02/551620002.db2.gz DRUMPAMIJACYCB-CQSZACIVSA-N 1 0 378.318 2.996 20 0 GFADRO CC[NH2+]CC1CCN(S(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)CC1 ZINC000163513365 551620060 /nfs/dbraw/zinc/62/00/60/551620060.db2.gz FIJXTDHXICEUBQ-UHFFFAOYSA-N 1 0 382.860 2.952 20 0 GFADRO Cc1[nH]c(=O)c(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)cc1Br ZINC000164260761 551624448 /nfs/dbraw/zinc/62/44/48/551624448.db2.gz ZJVOOSPKSYJVSG-OLZOCXBDSA-N 1 0 382.302 2.945 20 0 GFADRO C[NH2+][C@H]1CCCN(C(=O)Nc2ccc(F)cc2I)C1 ZINC000415256554 563763962 /nfs/dbraw/zinc/76/39/62/563763962.db2.gz XHNBGOHZMBNMKT-JTQLQIEISA-N 1 0 377.201 2.646 20 0 GFADRO CO[C@@H]1CCC[N@H+](C[C@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000170817617 551640100 /nfs/dbraw/zinc/64/01/00/551640100.db2.gz PDRZZJGWHRBMKL-QWHCGFSZSA-N 1 0 378.694 2.953 20 0 GFADRO Cc1n[nH]c(C)c1CC(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000170880234 551642348 /nfs/dbraw/zinc/64/23/48/551642348.db2.gz DPAXJTSPHSOSSR-UHFFFAOYSA-N 1 0 393.329 2.922 20 0 GFADRO C[C@H](NC(=O)CN1CC[NH+](CC(C)(C)O)CC1)c1ccc(Cl)cc1Cl ZINC000171155132 551648654 /nfs/dbraw/zinc/64/86/54/551648654.db2.gz DOMRXOCYMHDJHQ-ZDUSSCGKSA-N 1 0 388.339 2.559 20 0 GFADRO C[C@H]1C[NH+](CC2CCN(C(=O)c3cc(Br)cn3C)CC2)C[C@H](C)O1 ZINC000171283390 551652025 /nfs/dbraw/zinc/65/20/25/551652025.db2.gz NGZUOFXAFXQMDA-KBPBESRZSA-N 1 0 398.345 2.749 20 0 GFADRO COCC[NH+]1CCC(NC(=O)[C@@H](C)Oc2cc(Cl)cc(Cl)c2)CC1 ZINC000171398266 551654378 /nfs/dbraw/zinc/65/43/78/551654378.db2.gz ITMRVQAYOKPEDJ-GFCCVEGCSA-N 1 0 375.296 2.988 20 0 GFADRO COCC[C@](C)(O)C[NH2+]Cc1cc(Br)c(OC(F)F)c(OC)c1 ZINC000172071577 551670091 /nfs/dbraw/zinc/67/00/91/551670091.db2.gz OEPXZTYKAFCWIQ-HNNXBMFYSA-N 1 0 398.244 2.936 20 0 GFADRO C[NH+](C)C[C@@H]1CCN(C(=O)c2cnn(-c3cccc(Br)c3)c2)C1 ZINC000172171335 551671904 /nfs/dbraw/zinc/67/19/04/551671904.db2.gz HEXZNSUTUUJELH-ZDUSSCGKSA-N 1 0 377.286 2.659 20 0 GFADRO CC[NH+]1CCN([C@H]2CCN(C(=O)COc3cc(Cl)cc(Cl)c3)C2)CC1 ZINC000173109679 552078024 /nfs/dbraw/zinc/07/80/24/552078024.db2.gz UYHSCUSLEAGRLM-INIZCTEOSA-N 1 0 386.323 2.611 20 0 GFADRO Cc1c(Br)cccc1C(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000173123549 552078069 /nfs/dbraw/zinc/07/80/69/552078069.db2.gz QTWLOBXZSCKYOT-INIZCTEOSA-N 1 0 394.357 3.000 20 0 GFADRO CC[NH+]1CCN([C@H](C)CNC(=O)c2cc(Br)cn2C(C)C)CC1 ZINC000173395111 552085051 /nfs/dbraw/zinc/08/50/51/552085051.db2.gz PESKDCBIKIZXML-CQSZACIVSA-N 1 0 385.350 2.587 20 0 GFADRO O=C(Nc1cccc(Br)c1)C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000173566961 552088458 /nfs/dbraw/zinc/08/84/58/552088458.db2.gz DOGXTNZAJPNWGW-MRXNPFEDSA-N 1 0 394.313 2.768 20 0 GFADRO CCC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2ccc(F)cc2Br)C1 ZINC000173950117 552095671 /nfs/dbraw/zinc/09/56/71/552095671.db2.gz DCCFSGPFRXMZEF-LBPRGKRZSA-N 1 0 393.322 2.941 20 0 GFADRO C[C@H](CNC(=O)Nc1c(F)cc(Br)cc1F)CN1CCOCC1 ZINC000174084290 552098388 /nfs/dbraw/zinc/09/83/88/552098388.db2.gz PUCHAQJNRQGBCX-SNVBAGLBSA-N 1 0 392.244 2.817 20 0 GFADRO CC[NH+](CC)[C@H]1CCN(C(=O)CCNC(=O)c2ccc(Br)cc2)C1 ZINC000174172511 552101155 /nfs/dbraw/zinc/10/11/55/552101155.db2.gz PFQCDIBHNZOYLI-INIZCTEOSA-N 1 0 396.329 2.512 20 0 GFADRO O=C(NCCc1ccc(F)c(Br)c1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000174182818 552101749 /nfs/dbraw/zinc/10/17/49/552101749.db2.gz YNOCIQAALKAXNH-AWEZNQCLSA-N 1 0 382.277 2.786 20 0 GFADRO Cc1nc(SCC(=O)Nc2cc(C[NH+]3CCSCC3)ccc2C)n[nH]1 ZINC000174430751 552104180 /nfs/dbraw/zinc/10/41/80/552104180.db2.gz UZJBALRLQHKPRR-UHFFFAOYSA-N 1 0 377.539 2.701 20 0 GFADRO Cc1nc(SCC(=O)Nc2cccc(C[NH+]3CCSCC3)c2C)n[nH]1 ZINC000174675590 552108272 /nfs/dbraw/zinc/10/82/72/552108272.db2.gz SGGIUJIUCVHTPV-UHFFFAOYSA-N 1 0 377.539 2.701 20 0 GFADRO Cc1ccc(S(=O)(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)c(Br)c1 ZINC000175075894 552115485 /nfs/dbraw/zinc/11/54/85/552115485.db2.gz HLAZSKKMGRXZDW-OLZOCXBDSA-N 1 0 375.332 2.909 20 0 GFADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)NCCCc1ccc(Cl)cc1Cl ZINC000175480728 552123013 /nfs/dbraw/zinc/12/30/13/552123013.db2.gz CBUNAUVUCPUPGF-AWEZNQCLSA-N 1 0 387.355 2.861 20 0 GFADRO CC[C@H](O)C[NH+]1CCC(Oc2ccccc2I)CC1 ZINC000175792637 552129178 /nfs/dbraw/zinc/12/91/78/552129178.db2.gz HUBRXKIYAOOOCM-LBPRGKRZSA-N 1 0 375.250 2.905 20 0 GFADRO O=C([C@@H]1C[C@@H]1c1cccc(Br)c1)N1CC[NH+](C2CCOCC2)CC1 ZINC000175863234 552130259 /nfs/dbraw/zinc/13/02/59/552130259.db2.gz RZZJCJPWOABDNR-QZTJIDSGSA-N 1 0 393.325 2.876 20 0 GFADRO CC[NH+](CC)[C@@H](CNC(=O)N1CC[C@](O)(C(F)(F)F)C1)c1ccsc1 ZINC000175940171 552132523 /nfs/dbraw/zinc/13/25/23/552132523.db2.gz XBWZUKYSCHOHRD-DZGCQCFKSA-N 1 0 379.448 2.840 20 0 GFADRO CSc1ccc(NC(=O)C(=O)N(CC[NH+](C)C)Cc2cccs2)cc1 ZINC000176112746 552135846 /nfs/dbraw/zinc/13/58/46/552135846.db2.gz XGDXDOXOJTYZEG-UHFFFAOYSA-N 1 0 377.535 2.999 20 0 GFADRO O=C(NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)NC[C@@]1(O)CCSC1 ZINC000176205480 552136710 /nfs/dbraw/zinc/13/67/10/552136710.db2.gz VRUQDOFRDZJBKR-AEFFLSMTSA-N 1 0 383.945 2.644 20 0 GFADRO O=C(CCc1ccc(Br)cc1)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000176368365 552139522 /nfs/dbraw/zinc/13/95/22/552139522.db2.gz GSVDCHSEMACQJB-QGZVFWFLSA-N 1 0 395.341 2.953 20 0 GFADRO Cc1ccc(-n2nc(Br)cc2C(=O)N2CC[C@H](C[NH+](C)C)C2)cc1 ZINC000176382264 552139997 /nfs/dbraw/zinc/13/99/97/552139997.db2.gz HNCAUBWNXDXFQR-CQSZACIVSA-N 1 0 391.313 2.967 20 0 GFADRO O=C(CCc1ccc(Br)cc1)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000176431572 552140480 /nfs/dbraw/zinc/14/04/80/552140480.db2.gz IDGDWTIUEURRGQ-MRXNPFEDSA-N 1 0 395.341 2.999 20 0 GFADRO CC(C)OCC[NH+]1CCC(NC(=O)COc2cccc(Br)c2)CC1 ZINC000176683732 552144107 /nfs/dbraw/zinc/14/41/07/552144107.db2.gz LOWCZKFSFNPQMY-UHFFFAOYSA-N 1 0 399.329 2.834 20 0 GFADRO C[NH+](C)C1CCN(CCNC(=O)CCOc2ccc(Cl)cc2Cl)CC1 ZINC000177150627 552150714 /nfs/dbraw/zinc/15/07/14/552150714.db2.gz BQMUICDBLQQMCM-UHFFFAOYSA-N 1 0 388.339 2.905 20 0 GFADRO C[N@H+](CCSc1cc(Cl)ccc1Cl)C[C@@H](O)CN1CCOCC1 ZINC000177357677 552153998 /nfs/dbraw/zinc/15/39/98/552153998.db2.gz WEVWQJWHOKDPDW-CQSZACIVSA-N 1 0 379.353 2.710 20 0 GFADRO C[C@H]([NH2+]CC1CCN(S(C)(=O)=O)CC1)c1cccc(OC(F)(F)F)c1 ZINC000178266581 552167837 /nfs/dbraw/zinc/16/78/37/552167837.db2.gz YNWOOEJDGIDMIT-LBPRGKRZSA-N 1 0 380.432 2.907 20 0 GFADRO COc1cc(OC)cc(S(=O)(=O)N(CC[NH+](C)C)Cc2cccs2)c1 ZINC000178425777 552170117 /nfs/dbraw/zinc/17/01/17/552170117.db2.gz ZLFIUNSGCPDGMN-UHFFFAOYSA-N 1 0 384.523 2.518 20 0 GFADRO O=C(N[C@H](c1ccccc1)c1ccc(Br)cc1F)[C@@H]1C[NH2+]CCO1 ZINC000178436817 552170361 /nfs/dbraw/zinc/17/03/61/552170361.db2.gz XFAWVEGLRCQGKL-DLBZAZTESA-N 1 0 393.256 2.782 20 0 GFADRO COc1ccc(CC[NH2+][C@@H](C)Cn2cc(Br)cn2)c(OC)c1OC ZINC000178556184 552172504 /nfs/dbraw/zinc/17/25/04/552172504.db2.gz RHXLFPVIPZZDET-LBPRGKRZSA-N 1 0 398.301 2.892 20 0 GFADRO Cc1nn(-c2ccc(C(=O)N(C)[C@@H]3CC[NH2+]C3)cc2)c(C)c1Br ZINC000179111615 552184170 /nfs/dbraw/zinc/18/41/70/552184170.db2.gz GUZZHODAEFDMEG-OAHLLOKOSA-N 1 0 377.286 2.686 20 0 GFADRO COc1cc(C(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)sc1Br ZINC000179363912 552191030 /nfs/dbraw/zinc/19/10/30/552191030.db2.gz CDMJERAEKUICBB-NSHDSACASA-N 1 0 391.331 2.606 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C[N@@H+]1CCC[C@H](OCCO)C1 ZINC000179571020 552196469 /nfs/dbraw/zinc/19/64/69/552196469.db2.gz GIXOWVUIYKSXLV-SFHVURJKSA-N 1 0 394.313 2.917 20 0 GFADRO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)c1cccc(Br)n1 ZINC000179559229 552196819 /nfs/dbraw/zinc/19/68/19/552196819.db2.gz DUDDTLYHCBOZDH-UHFFFAOYSA-N 1 0 375.270 2.886 20 0 GFADRO CNC(=O)CN1CCC([NH2+][C@H](c2ccc(Br)cc2)C2CC2)CC1 ZINC000180011193 552209644 /nfs/dbraw/zinc/20/96/44/552209644.db2.gz LAFZNQDYNIQADA-SFHVURJKSA-N 1 0 380.330 2.700 20 0 GFADRO Cc1cc(Br)cc(CNC[C@](C)(O)C[NH+](C)C)c1OC(F)F ZINC000180340388 552223111 /nfs/dbraw/zinc/22/31/11/552223111.db2.gz KFNOGIHPPYONCX-HNNXBMFYSA-N 1 0 381.261 2.761 20 0 GFADRO C[N@H+](Cc1c[nH]nc1-c1cccc(Cl)c1)C1CCN(S(C)(=O)=O)CC1 ZINC000180629475 552231853 /nfs/dbraw/zinc/23/18/53/552231853.db2.gz OHIGBMCIDOVYQX-UHFFFAOYSA-N 1 0 382.917 2.586 20 0 GFADRO COc1c(Cl)cc(Cl)cc1C[N@H+](C)C1CCN(S(C)(=O)=O)CC1 ZINC000180629026 552231891 /nfs/dbraw/zinc/23/18/91/552231891.db2.gz YHHUMEAGZDZLPZ-UHFFFAOYSA-N 1 0 381.325 2.858 20 0 GFADRO CC[C@@H]([NH2+]CCS(=O)(=O)NC[C@H]1CCCCO1)c1ccc(Cl)s1 ZINC000180745183 552234339 /nfs/dbraw/zinc/23/43/39/552234339.db2.gz FRFCLYJOXDWACK-CHWSQXEVSA-N 1 0 380.963 2.931 20 0 GFADRO C[C@@H](Cn1cc(Br)cn1)[NH2+]CCCC(=O)N1CCc2ccccc21 ZINC000180759472 552234946 /nfs/dbraw/zinc/23/49/46/552234946.db2.gz MGGHUHMOBQTTFB-AWEZNQCLSA-N 1 0 391.313 2.993 20 0 GFADRO Cc1nccn1CCCC[N@@H+](C)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000181060708 552244883 /nfs/dbraw/zinc/24/48/83/552244883.db2.gz PPLJDOFKQVFIJN-INIZCTEOSA-N 1 0 379.302 2.893 20 0 GFADRO C[C@H]1C[C@H]([NH2+]CCOCCS(C)(=O)=O)c2cccc(Br)c21 ZINC000181145714 552248301 /nfs/dbraw/zinc/24/83/01/552248301.db2.gz VAACZWDXSQIXNH-FZMZJTMJSA-N 1 0 376.316 2.648 20 0 GFADRO COCc1nc2n(n1)C[C@H]([NH2+][C@H](C)c1cc(Br)ccc1F)CC2 ZINC000181296175 552252561 /nfs/dbraw/zinc/25/25/61/552252561.db2.gz LWRNQNVGXNPBEC-ZYHUDNBSSA-N 1 0 383.265 2.992 20 0 GFADRO COCc1nc2n(n1)C[C@@H]([NH2+][C@@H]1CCc3c1c(Br)ccc3F)CC2 ZINC000181297746 552252842 /nfs/dbraw/zinc/25/28/42/552252842.db2.gz OFSSVUGBBUWKPT-IINYFYTJSA-N 1 0 395.276 2.918 20 0 GFADRO COCc1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1ccc(F)cc1Br)CC2 ZINC000181299512 552252985 /nfs/dbraw/zinc/25/29/85/552252985.db2.gz MYTDZQGJLVLMFA-CMPLNLGQSA-N 1 0 383.265 2.992 20 0 GFADRO C[C@H]([NH2+]CCOc1ncccc1Cl)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000181321065 552253048 /nfs/dbraw/zinc/25/30/48/552253048.db2.gz COYLSBBDJMCDMP-ZDUSSCGKSA-N 1 0 383.901 2.715 20 0 GFADRO CCNC(=O)N1CC[C@H]([NH2+][C@@H](C)CC(=O)Nc2cccc(Br)c2)C1 ZINC000181332370 552253466 /nfs/dbraw/zinc/25/34/66/552253466.db2.gz BMGKSQNQFJBRCB-WFASDCNBSA-N 1 0 397.317 2.560 20 0 GFADRO COc1ccc(C(=O)N(CC[NH+](C)C)Cc2ccc(C)o2)nc1Br ZINC000181371930 552254948 /nfs/dbraw/zinc/25/49/48/552254948.db2.gz TUGQIVKSSIYPQO-UHFFFAOYSA-N 1 0 396.285 2.958 20 0 GFADRO COc1ccc([C@H](C)[NH2+]C2CCN(S(C)(=O)=O)CC2)c(Br)c1 ZINC000181453423 552257014 /nfs/dbraw/zinc/25/70/14/552257014.db2.gz WDEBEFMQDWOJIC-NSHDSACASA-N 1 0 391.331 2.532 20 0 GFADRO Cc1ccc(S(=O)(=O)NCC[NH2+][C@H]2CSCCc3ccccc32)s1 ZINC000181512294 552258666 /nfs/dbraw/zinc/25/86/66/552258666.db2.gz LWKYOIWOTNBXSL-INIZCTEOSA-N 1 0 382.576 2.955 20 0 GFADRO COc1ccc(C[C@H](C)[NH2+]CCNS(=O)(=O)c2ccc(Cl)s2)cc1 ZINC000181618972 552262610 /nfs/dbraw/zinc/26/26/10/552262610.db2.gz XUHYGYRQMGETNN-LBPRGKRZSA-N 1 0 388.942 2.909 20 0 GFADRO CC[C@@H]([NH2+]C[C@@H](O)CS(=O)(=O)c1cccs1)c1ccc2c(c1)CCO2 ZINC000181634258 552262938 /nfs/dbraw/zinc/26/29/38/552262938.db2.gz WJEUJCSIPMONJV-HZPDHXFCSA-N 1 0 381.519 2.559 20 0 GFADRO Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H](O)CS(=O)(=O)c1cccs1)CCCO2 ZINC000181640343 552263366 /nfs/dbraw/zinc/26/33/66/552263366.db2.gz BOLGIRVWCZFKSR-GDBMZVCRSA-N 1 0 381.519 2.695 20 0 GFADRO C[C@@H]([NH2+]C[C@@H](O)CS(=O)(=O)c1cccs1)c1cnc2ccsc2c1 ZINC000181636373 552263543 /nfs/dbraw/zinc/26/35/43/552263543.db2.gz ULSPCGMNQWSMHF-DGCLKSJQSA-N 1 0 382.532 2.843 20 0 GFADRO O=S(=O)(C[C@@H](O)C[NH2+][C@H]1CCSc2ccc(F)cc21)c1cccs1 ZINC000181641783 552263736 /nfs/dbraw/zinc/26/37/36/552263736.db2.gz CELLTRQFYSNRMS-JSGCOSHPSA-N 1 0 387.523 2.849 20 0 GFADRO COCc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1ccc(OC)cc1Br)CC2 ZINC000182012449 552272695 /nfs/dbraw/zinc/27/26/95/552272695.db2.gz BUEZZZOXBJIMFK-RYUDHWBXSA-N 1 0 395.301 2.861 20 0 GFADRO COc1ccc([C@@H](C)[NH2+]Cc2cc(=O)n3nccc3[nH]2)cc1Br ZINC000182063719 552274525 /nfs/dbraw/zinc/27/45/25/552274525.db2.gz STXPPKUZLXPZNB-SNVBAGLBSA-N 1 0 377.242 2.645 20 0 GFADRO CC(C)[N@H+]1[C@@H]2CC[C@H]1CCN(S(=O)(=O)c1ccc(C(F)(F)F)nc1)C2 ZINC000182090887 552274948 /nfs/dbraw/zinc/27/49/48/552274948.db2.gz HKSLOIXOEGOJDI-QWHCGFSZSA-N 1 0 377.432 2.736 20 0 GFADRO CC(C)Sc1ccc([C@H](C)[NH2+]CCNS(=O)(=O)c2cnn(C)c2)cc1 ZINC000182102839 552275247 /nfs/dbraw/zinc/27/52/47/552275247.db2.gz XPVPYPCUYRHROI-AWEZNQCLSA-N 1 0 382.555 2.550 20 0 GFADRO CC(C)C[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2ccc(C(F)(F)F)nc2)C1 ZINC000182143558 552276558 /nfs/dbraw/zinc/27/65/58/552276558.db2.gz OLVURARJQRVXIR-ZDUSSCGKSA-N 1 0 379.448 2.747 20 0 GFADRO CC[C@H]([NH2+]CC(=O)Nc1cccc(I)c1)[C@H]1CCCO1 ZINC000182298230 552280821 /nfs/dbraw/zinc/28/08/21/552280821.db2.gz FLOVFOQPQPAFRP-UONOGXRCSA-N 1 0 388.249 2.777 20 0 GFADRO COCC[NH+]1CCC(N[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)CC1 ZINC000182452392 552284284 /nfs/dbraw/zinc/28/42/84/552284284.db2.gz PNHFSEGDKWCRAQ-KRWDZBQOSA-N 1 0 386.323 2.799 20 0 GFADRO C[C@@H](CNS(=O)(=O)c1ccc(OCC(F)F)cc1)C[NH+]1CCCCC1 ZINC000182476479 552284795 /nfs/dbraw/zinc/28/47/95/552284795.db2.gz XKKTXWIRWUWANS-AWEZNQCLSA-N 1 0 376.469 2.731 20 0 GFADRO CC(C)(C)[NH+]1CCC(NS(=O)(=O)c2ccc(OCC(F)F)cc2)CC1 ZINC000182476158 552284987 /nfs/dbraw/zinc/28/49/87/552284987.db2.gz BBSLCZNNIYCLDY-UHFFFAOYSA-N 1 0 376.469 2.872 20 0 GFADRO Cc1cc(NC(=O)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)cnc1Br ZINC000182761460 552292958 /nfs/dbraw/zinc/29/29/58/552292958.db2.gz RRSCRLAPFZYITB-CYBMUJFWSA-N 1 0 399.333 2.574 20 0 GFADRO C[C@H](CS(C)(=O)=O)[NH2+]C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000182966373 552297515 /nfs/dbraw/zinc/29/75/15/552297515.db2.gz AYPQUKZQWSTSQV-GFCCVEGCSA-N 1 0 379.353 2.981 20 0 GFADRO CC(C)[NH+](CCNC(=O)c1cc2c(cc1Br)NC(=O)CO2)C(C)C ZINC000182990093 552298018 /nfs/dbraw/zinc/29/80/18/552298018.db2.gz QEIHKKLKWKYICV-UHFFFAOYSA-N 1 0 398.301 2.629 20 0 GFADRO Cc1[nH]cc(C(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)c(=O)c1Br ZINC000183213215 552303043 /nfs/dbraw/zinc/30/30/43/552303043.db2.gz ZHIJXIOQDDQINL-ZDUSSCGKSA-N 1 0 382.302 2.949 20 0 GFADRO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)Nc1ccc(Cl)cc1OC(F)F ZINC000183452710 552309692 /nfs/dbraw/zinc/30/96/92/552309692.db2.gz GAUDEOBPTJRIOD-SNVBAGLBSA-N 1 0 377.819 2.726 20 0 GFADRO Cc1csc([C@H]([NH2+]C[C@](C)(O)c2ccc(S(C)(=O)=O)cc2)C2CC2)n1 ZINC000183497216 552311357 /nfs/dbraw/zinc/31/13/57/552311357.db2.gz XRFFJVLQNOFKDY-AEFFLSMTSA-N 1 0 380.535 2.803 20 0 GFADRO O=C(CC[NH+]1CCC(Oc2cccc(Br)c2)CC1)N1CCOCC1 ZINC000183822246 552320601 /nfs/dbraw/zinc/32/06/01/552320601.db2.gz SBWFCOBCFOUYSP-UHFFFAOYSA-N 1 0 397.313 2.541 20 0 GFADRO OC[C@H]([NH2+]C[C@@H](O)COCc1ccccc1)c1cccc(Br)c1 ZINC000183914232 552322641 /nfs/dbraw/zinc/32/26/41/552322641.db2.gz CGQZFWDLUUCULZ-MSOLQXFVSA-N 1 0 380.282 2.650 20 0 GFADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)Nc1ccc(Br)cc1F ZINC000183914977 552322924 /nfs/dbraw/zinc/32/29/24/552322924.db2.gz XIFLOEXJRQBMGN-GFCCVEGCSA-N 1 0 387.297 2.736 20 0 GFADRO C[C@@H]1C[C@H](N(C)S(=O)(=O)c2ccc(Br)cc2F)CC[N@@H+]1C ZINC000184916122 552347546 /nfs/dbraw/zinc/34/75/46/552347546.db2.gz RKDPMXZDOFXQPE-ZYHUDNBSSA-N 1 0 379.295 2.691 20 0 GFADRO Cc1cc(Br)ccc1S(=O)(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000184913586 552347669 /nfs/dbraw/zinc/34/76/69/552347669.db2.gz MFVUAKPFUNLRRJ-UHFFFAOYSA-N 1 0 387.343 2.910 20 0 GFADRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)c3ccc(Cl)c(I)c3)C[C@@H]12 ZINC000185033923 552351914 /nfs/dbraw/zinc/35/19/14/552351914.db2.gz ABAQXLWOGOTVJM-GIPNMCIBSA-N 1 0 390.652 2.754 20 0 GFADRO Cc1c(Br)scc1C(=O)NCCCC[N@@H+]1CCC[C@@H]1CO ZINC000185115205 552354797 /nfs/dbraw/zinc/35/47/97/552354797.db2.gz GEQQHSAWTKZDBL-GFCCVEGCSA-N 1 0 375.332 2.786 20 0 GFADRO CC[N@H+](CCO)CCNC(=O)Nc1ccc(Br)cc1C(F)(F)F ZINC000185386711 552362288 /nfs/dbraw/zinc/36/22/88/552362288.db2.gz CUKYRIGHVWHIGZ-UHFFFAOYSA-N 1 0 398.223 2.904 20 0 GFADRO Cc1nc(NC(=O)NC(C)(C)CC[NH+]2CCN(C)CC2)ccc1Br ZINC000185581526 552366141 /nfs/dbraw/zinc/36/61/41/552366141.db2.gz MHDHWUYDOCRTHP-UHFFFAOYSA-N 1 0 398.349 2.690 20 0 GFADRO Nc1c(Br)cc(Br)cc1C[NH2+][C@H]1CCCCNC1=O ZINC000185774023 552370303 /nfs/dbraw/zinc/37/03/03/552370303.db2.gz OQIUVRLUHBCSCB-NSHDSACASA-N 1 0 391.107 2.552 20 0 GFADRO C[NH+](C)CCN(Cc1cccs1)S(=O)(=O)Cc1noc2ccccc21 ZINC000185927164 552374366 /nfs/dbraw/zinc/37/43/66/552374366.db2.gz YUMPOKFGHHPLMA-UHFFFAOYSA-N 1 0 379.507 2.783 20 0 GFADRO CC[C@H](Cc1ccccc1Br)[N@H+](C)CCCN1C(=O)CNC1=O ZINC000185931005 552374505 /nfs/dbraw/zinc/37/45/05/552374505.db2.gz GVUXBKKUGWJBAI-CQSZACIVSA-N 1 0 382.302 2.644 20 0 GFADRO CC[C@@H](Cc1ccccc1Br)[N@H+](C)CCC(=O)N1CCOCC1 ZINC000185929887 552374578 /nfs/dbraw/zinc/37/45/78/552374578.db2.gz WEBCAOSBEOEDAG-INIZCTEOSA-N 1 0 383.330 2.951 20 0 GFADRO O=C(NCC1=CC[NH2+]CC1)[C@@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1 ZINC000186386077 552386527 /nfs/dbraw/zinc/38/65/27/552386527.db2.gz LGEROUIPANJYFC-INIZCTEOSA-N 1 0 382.291 2.634 20 0 GFADRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)CCc1nc(-c2cc(Br)cs2)no1 ZINC000186789463 552398259 /nfs/dbraw/zinc/39/82/59/552398259.db2.gz UFVZSPZWBSZVJM-MWLCHTKSSA-N 1 0 399.314 2.607 20 0 GFADRO CCCOc1c(Br)cc(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)cc1OC ZINC000186834319 552399185 /nfs/dbraw/zinc/39/91/85/552399185.db2.gz ZGZHXXPYSBAZPE-SMDDNHRTSA-N 1 0 385.302 2.974 20 0 GFADRO C[C@@H](Oc1ccc(Br)cc1)C(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C ZINC000186877495 552400260 /nfs/dbraw/zinc/40/02/60/552400260.db2.gz UWLVZGCQUWYDAN-ZIAGYGMSSA-N 1 0 399.329 2.520 20 0 GFADRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)CCc1cccc(Br)c1 ZINC000186962677 552402419 /nfs/dbraw/zinc/40/24/19/552402419.db2.gz BBZDMRXTEYBSCP-CQSZACIVSA-N 1 0 383.330 2.685 20 0 GFADRO CC1(CO)CC[NH+](C[C@H](O)COc2ccc(Cl)cc2Br)CC1 ZINC000186971491 552403236 /nfs/dbraw/zinc/40/32/36/552403236.db2.gz XJABCGJFIJLKOD-ZDUSSCGKSA-N 1 0 392.721 2.937 20 0 GFADRO CC[NH+](CC)CCCNC(=O)C(=O)Nc1cc(F)c(Br)cc1C ZINC000187072418 552405823 /nfs/dbraw/zinc/40/58/23/552405823.db2.gz FVMNWQPLQKCZOB-UHFFFAOYSA-N 1 0 388.281 2.683 20 0 GFADRO COc1cnccc1[C@H](C)[NH2+]C[C@H](O)COc1cccc(Br)c1 ZINC000187079411 552405826 /nfs/dbraw/zinc/40/58/26/552405826.db2.gz HUTIPZRMAPKSAM-JSGCOSHPSA-N 1 0 381.270 2.943 20 0 GFADRO Cc1cc(Br)c(F)cc1NC(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000187144697 552407859 /nfs/dbraw/zinc/40/78/59/552407859.db2.gz BTIBJUOKHRSGPV-LBPRGKRZSA-N 1 0 398.276 2.532 20 0 GFADRO O=C(NCCC[NH+]1CCCC1)C(=O)Nc1cc(Cl)cc(C(F)(F)F)c1 ZINC000187214197 552409422 /nfs/dbraw/zinc/40/94/22/552409422.db2.gz HAIGOQRPLLSXSR-UHFFFAOYSA-N 1 0 377.794 2.899 20 0 GFADRO COC(=O)C[C@H](NC(=O)c1coc(C[NH3+])c1)c1ccc(Br)cc1 ZINC000187396280 552414391 /nfs/dbraw/zinc/41/43/91/552414391.db2.gz KDUOSXYMSXANJN-AWEZNQCLSA-N 1 0 381.226 2.535 20 0 GFADRO C[C@H](C[C@H]1COCCN1C(=O)OC(C)(C)C)[NH2+]CC[S@@](=O)C(C)(C)C ZINC000187400113 552414797 /nfs/dbraw/zinc/41/47/97/552414797.db2.gz BWPOSOSFTUOTER-OKXMYEFYSA-N 1 0 376.563 2.538 20 0 GFADRO [NH3+]Cc1cc(C(=O)NC2(c3ccc(Br)cc3)CCOCC2)co1 ZINC000187475098 552416558 /nfs/dbraw/zinc/41/65/58/552416558.db2.gz PIHWKILBHHGXMP-UHFFFAOYSA-N 1 0 379.254 2.937 20 0 GFADRO CCO[C@@H]1C[C@]([NH3+])(C(=O)NCCc2cc(Br)ccc2F)C1(C)C ZINC000187486934 552417142 /nfs/dbraw/zinc/41/71/42/552417142.db2.gz PWSFDFADWHXJRT-PBHICJAKSA-N 1 0 387.293 2.779 20 0 GFADRO COC(=O)c1cc(NC(=O)N2CC[C@@H](C[NH+](C)C)C2)ccc1Br ZINC000187752557 552423410 /nfs/dbraw/zinc/42/34/10/552423410.db2.gz CTPZJWXSXQDMMF-NSHDSACASA-N 1 0 384.274 2.651 20 0 GFADRO CO[C@@H]1C[NH2+][C@@H](C(=O)NCC2(c3ccc(Br)cc3)CCCC2)C1 ZINC000187840481 552425850 /nfs/dbraw/zinc/42/58/50/552425850.db2.gz WNGFYODJQGNEMV-JKSUJKDBSA-N 1 0 381.314 2.754 20 0 GFADRO COc1cc([C@@H](C)[NH2+][C@@H]2CCC[C@@H]2CCO)ccc1S(=O)(=O)C(F)F ZINC000187997660 552430560 /nfs/dbraw/zinc/43/05/60/552430560.db2.gz GLJHPEXVZDSEPY-YRGRVCCFSA-N 1 0 377.453 2.893 20 0 GFADRO O=S(=O)(NCCCC[N@H+]1CCC[C@H]1CO)c1ccc(Cl)c(F)c1Cl ZINC000188036880 552432250 /nfs/dbraw/zinc/43/22/50/552432250.db2.gz WGDMFGSURBNLHQ-NSHDSACASA-N 1 0 399.315 2.648 20 0 GFADRO C[NH+](C)C[C@H]1CCN(C(=O)C(=O)Nc2cc(Cl)cc(C(F)(F)F)c2)C1 ZINC000188093985 552434713 /nfs/dbraw/zinc/43/47/13/552434713.db2.gz CQIAQOWGLWKOSY-SNVBAGLBSA-N 1 0 377.794 2.707 20 0 GFADRO CC1(C)CN(CCNS(=O)(=O)Cc2ccc(Cl)c(Cl)c2)CCO1 ZINC000188091432 552434720 /nfs/dbraw/zinc/43/47/20/552434720.db2.gz YKDJSOHBBXLRAR-UHFFFAOYSA-N 1 0 381.325 2.524 20 0 GFADRO Cc1cc(S(=O)(=O)NCc2ccnc(OCC[NH+](C)C)c2)sc1Cl ZINC000188141316 552436395 /nfs/dbraw/zinc/43/63/95/552436395.db2.gz CNPSQCMOCSJYTN-UHFFFAOYSA-N 1 0 389.930 2.524 20 0 GFADRO CCO[C@H](CC[NH+](C)C)CNC(=O)Cc1ccc(F)cc1Br ZINC000188189864 552438595 /nfs/dbraw/zinc/43/85/95/552438595.db2.gz OOYBUNOBBJBSMI-CQSZACIVSA-N 1 0 375.282 2.604 20 0 GFADRO O=C(c1[nH]nc2c1C[NH2+]CC2)N1CCC[C@@H]1c1cccc(Br)c1 ZINC000188376689 552444051 /nfs/dbraw/zinc/44/40/51/552444051.db2.gz UVNMGUZPOXNPNY-OAHLLOKOSA-N 1 0 375.270 2.795 20 0 GFADRO C[C@@H]1CN(C(=O)c2cc3cc(Br)ccc3[nH]2)CC[N@@H+]1CC(C)(C)O ZINC000188650104 552450576 /nfs/dbraw/zinc/45/05/76/552450576.db2.gz HNWHSFIGCLRUQM-GFCCVEGCSA-N 1 0 394.313 2.848 20 0 GFADRO COc1cc(C(=O)NCc2ccc3c(c2)C[NH2+]C3)cc(OC)c1Br ZINC000188762766 552454775 /nfs/dbraw/zinc/45/47/75/552454775.db2.gz SJNOZYPREIWPFM-UHFFFAOYSA-N 1 0 391.265 3.000 20 0 GFADRO C[C@H]1C[NH+](CCCCNC(=O)c2ncc(Br)s2)C[C@H](C)O1 ZINC000189234601 552466527 /nfs/dbraw/zinc/46/65/27/552466527.db2.gz YWDLWANNURNPMB-QWRGUYRKSA-N 1 0 376.320 2.525 20 0 GFADRO CCCN(CCC[NH+](C)C)C(=O)c1cc2c(cc1Br)NC(=O)CO2 ZINC000189263060 552467191 /nfs/dbraw/zinc/46/71/91/552467191.db2.gz ISGONUBXLLUZEV-UHFFFAOYSA-N 1 0 398.301 2.584 20 0 GFADRO Cc1ccc2cc(C[NH2+]C[C@H](O)CS(=O)(=O)c3cccs3)ccc2n1 ZINC000189405257 552470721 /nfs/dbraw/zinc/47/07/21/552470721.db2.gz DZCPAXWHGAVTPM-INIZCTEOSA-N 1 0 376.503 2.529 20 0 GFADRO C[C@H]([NH2+]CCOCC(F)(F)C(F)F)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000189852044 552481302 /nfs/dbraw/zinc/48/13/02/552481302.db2.gz CMBHIVUODDLEBN-VIFPVBQESA-N 1 0 375.359 2.797 20 0 GFADRO Cc1cc(F)c(Br)cc1S(=O)(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000189937550 552483511 /nfs/dbraw/zinc/48/35/11/552483511.db2.gz LLMRZMORDZQLRP-GFCCVEGCSA-N 1 0 391.306 2.755 20 0 GFADRO CNS(=O)(=O)CC[NH2+]Cc1ccc(Br)cc1SC(C)C ZINC000190311410 552492210 /nfs/dbraw/zinc/49/22/10/552492210.db2.gz CCSRGWUETMIWOW-UHFFFAOYSA-N 1 0 381.361 2.588 20 0 GFADRO CCN1CCN(C(=O)[C@@H](C)[NH2+][C@H](C)c2ccc(Br)cc2OC)CC1 ZINC000190446206 552496650 /nfs/dbraw/zinc/49/66/50/552496650.db2.gz HQZHGNBJRZYHOX-ZIAGYGMSSA-N 1 0 398.345 2.661 20 0 GFADRO Cc1csc(C(=O)NCC2CC[NH+](C)CC2)c1I ZINC000190796973 552508952 /nfs/dbraw/zinc/50/89/52/552508952.db2.gz TTYFTXPNBZRPBB-UHFFFAOYSA-N 1 0 378.279 2.733 20 0 GFADRO CC[C@H](CO)[NH+]1CCN(C(=O)Nc2cc(Br)c(F)cc2C)CC1 ZINC000190895019 552512950 /nfs/dbraw/zinc/51/29/50/552512950.db2.gz FDYKGXLMTAAZSQ-GFCCVEGCSA-N 1 0 388.281 2.817 20 0 GFADRO C[NH+](C)C[C@@H]1CCCCN1C(=O)Cc1ccc(I)cc1 ZINC000190955756 552514599 /nfs/dbraw/zinc/51/45/99/552514599.db2.gz JLBXQEUNZCPBOZ-HNNXBMFYSA-N 1 0 386.277 2.776 20 0 GFADRO C[NH+]1CCN(Cc2ccc(NC(=O)Cc3ccoc3)cc2Br)CC1 ZINC000191087359 552518459 /nfs/dbraw/zinc/51/84/59/552518459.db2.gz HDGUSWGVTSWQRX-UHFFFAOYSA-N 1 0 392.297 2.971 20 0 GFADRO CS(=O)(=O)N1CC[C@@H](C[NH2+]CCCCc2cccc(C(F)(F)F)c2)C1 ZINC000191110666 552519054 /nfs/dbraw/zinc/51/90/54/552519054.db2.gz YKWDTTZLBYRLAM-HNNXBMFYSA-N 1 0 378.460 2.899 20 0 GFADRO Cc1c(Br)cccc1CC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000191307574 552524090 /nfs/dbraw/zinc/52/40/90/552524090.db2.gz AUMJMESPBWLTFD-MRXNPFEDSA-N 1 0 383.330 2.773 20 0 GFADRO COCCN(C)c1ccc(C[NH2+][C@@H](CO)c2cccc(Br)c2)cn1 ZINC000191354433 552526067 /nfs/dbraw/zinc/52/60/67/552526067.db2.gz DNRAYEYPUSZPLS-KRWDZBQOSA-N 1 0 394.313 2.750 20 0 GFADRO COc1cc(NC(=O)NCC[NH+](C)C)c(Br)cc1Br ZINC000191498976 552530489 /nfs/dbraw/zinc/53/04/89/552530489.db2.gz GDDZBJZWQYYPER-UHFFFAOYSA-N 1 0 395.095 2.903 20 0 GFADRO CCOC(=O)c1csc(CC[NH2+]C2CCN(CCC(F)(F)F)CC2)n1 ZINC000191552175 552531486 /nfs/dbraw/zinc/53/14/86/552531486.db2.gz AIWLWIGIOYJTOD-UHFFFAOYSA-N 1 0 379.448 2.869 20 0 GFADRO CC1(CO)CC[NH+](Cc2ccc(Br)cc2N2CCOCC2)CC1 ZINC000191826325 552539423 /nfs/dbraw/zinc/53/94/23/552539423.db2.gz NGHBTEVBAQSLLY-UHFFFAOYSA-N 1 0 383.330 2.880 20 0 GFADRO COC(=O)[C@H]1CC[N@H+](CCC(=O)Nc2ccccc2Br)C[C@@H]1C ZINC000191866845 552540437 /nfs/dbraw/zinc/54/04/37/552540437.db2.gz BYMIURWYGOAJGD-STQMWFEESA-N 1 0 383.286 2.909 20 0 GFADRO COC(=O)[C@@H](c1ccc(Cl)c(Cl)c1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000192059876 552548280 /nfs/dbraw/zinc/54/82/80/552548280.db2.gz UJZFUHNNBZPTCJ-CXAGYDPISA-N 1 0 387.307 2.862 20 0 GFADRO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)c2cccc(Br)c2F)CC1 ZINC000192075218 552549507 /nfs/dbraw/zinc/54/95/07/552549507.db2.gz HTNUFFCVSFYRRK-AWEZNQCLSA-N 1 0 398.320 2.830 20 0 GFADRO COc1cc(Cl)c(Br)cc1C(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000192121945 552551863 /nfs/dbraw/zinc/55/18/63/552551863.db2.gz MOJBRKAZFQZAKK-JTQLQIEISA-N 1 0 391.693 2.514 20 0 GFADRO CCO[C@@H](CC[NH+](C)C)CNC(=O)c1cc(Br)c(F)cc1F ZINC000192158140 552554237 /nfs/dbraw/zinc/55/42/37/552554237.db2.gz LSVOFBLWVOTWGB-JTQLQIEISA-N 1 0 379.245 2.814 20 0 GFADRO CN(C)C(=O)[C@@H]1CC[C@H](C[NH2+]Cc2ccc(Br)c(Cl)c2)O1 ZINC000192206332 552555588 /nfs/dbraw/zinc/55/55/88/552555588.db2.gz SUGWGVWVAYMOBJ-RISCZKNCSA-N 1 0 375.694 2.828 20 0 GFADRO COc1cc(NC(=O)C(=O)NC[C@@H](c2cccs2)[NH+](C)C)ccc1Cl ZINC000192500093 552565688 /nfs/dbraw/zinc/56/56/88/552565688.db2.gz CSANMRXMEIRARX-ZDUSSCGKSA-N 1 0 381.885 2.768 20 0 GFADRO COc1cc(Br)ccc1CCCN1CC[N@H+](C[C@@H](C)O)C[C@H]1C ZINC000192819343 552974494 /nfs/dbraw/zinc/97/44/94/552974494.db2.gz QWKUAVFEZCHHPZ-HUUCEWRRSA-N 1 0 385.346 2.777 20 0 GFADRO COc1cc(Cl)c(S(=O)(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)cc1OC ZINC000192822480 552975320 /nfs/dbraw/zinc/97/53/20/552975320.db2.gz GHLIBDURJYINLA-NSHDSACASA-N 1 0 378.922 2.612 20 0 GFADRO C[C@@H]1CCCC[C@@]1(C[NH3+])NS(=O)(=O)c1cc(F)ccc1Br ZINC000193038775 552981384 /nfs/dbraw/zinc/98/13/84/552981384.db2.gz HLLZMNZHZITBOK-YGRLFVJLSA-N 1 0 379.295 2.774 20 0 GFADRO C[C@@H]1C[N@@H+](CC2CCN(C(=O)c3ncccc3Br)CC2)C[C@H](C)O1 ZINC000193082056 552982693 /nfs/dbraw/zinc/98/26/93/552982693.db2.gz QHFFICGSGGQDLT-OKILXGFUSA-N 1 0 396.329 2.806 20 0 GFADRO O=S(=O)(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cc(Cl)c(Br)cc1F ZINC000193241964 552987210 /nfs/dbraw/zinc/98/72/10/552987210.db2.gz MJKOWWGPBOBMPQ-JVHMLUBASA-N 1 0 397.697 2.803 20 0 GFADRO O=S(=O)(NCC[C@H]1CCC[NH2+]C1)c1cc(Cl)c(Br)cc1F ZINC000193271912 552988503 /nfs/dbraw/zinc/98/85/03/552988503.db2.gz PHLBOKZJOYQTRY-SECBINFHSA-N 1 0 399.713 2.910 20 0 GFADRO O=S(=O)(NCC1=CC[NH2+]CC1)c1ccc(Br)c(C(F)(F)F)c1 ZINC000193388655 552991515 /nfs/dbraw/zinc/99/15/15/552991515.db2.gz YYDOAYVIKITAFM-UHFFFAOYSA-N 1 0 399.232 2.666 20 0 GFADRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)c1ccc(Cl)c(I)c1 ZINC000193631028 552998499 /nfs/dbraw/zinc/99/84/99/552998499.db2.gz WXOWGEXAFYORET-UFBFGSQYSA-N 1 0 378.641 2.815 20 0 GFADRO O=C(NCc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1ccoc1Br ZINC000193897396 553005884 /nfs/dbraw/zinc/00/58/84/553005884.db2.gz BCTIXVZVOBUGKU-OAHLLOKOSA-N 1 0 393.281 2.929 20 0 GFADRO O=C(NCC[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCC2)c1ccc(Br)cc1 ZINC000193986563 553008752 /nfs/dbraw/zinc/00/87/52/553008752.db2.gz UVSWHFCKALFZRF-OWCLPIDISA-N 1 0 379.298 2.726 20 0 GFADRO CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2c(C)cc(Br)cc2C)C1 ZINC000194154032 553013467 /nfs/dbraw/zinc/01/34/67/553013467.db2.gz SQOIKNKHVAOIML-AWEZNQCLSA-N 1 0 382.302 2.605 20 0 GFADRO CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2Cc3cc(Br)ccc3O2)C1 ZINC000194363499 553018550 /nfs/dbraw/zinc/01/85/50/553018550.db2.gz ONDHWVORMDVLRM-DYVFJYSZSA-N 1 0 381.314 2.943 20 0 GFADRO C[C@@H](C[NH+]1CCCCC1)NC(=O)NCC(=O)Nc1ccc(Br)cc1 ZINC000194457490 553021516 /nfs/dbraw/zinc/02/15/16/553021516.db2.gz HUNRQYDRHCSPJL-ZDUSSCGKSA-N 1 0 397.317 2.561 20 0 GFADRO COCC[NH+]1CCC(NC(=O)NC2(c3ccc(Br)cc3)CC2)CC1 ZINC000194545324 553023613 /nfs/dbraw/zinc/02/36/13/553023613.db2.gz CVXNSBUURAIARK-UHFFFAOYSA-N 1 0 396.329 2.848 20 0 GFADRO C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1 ZINC000194704279 553027278 /nfs/dbraw/zinc/02/72/78/553027278.db2.gz VVXTVGJPZQGWKF-CJNGLKHVSA-N 1 0 384.307 2.808 20 0 GFADRO C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 ZINC000194704465 553027355 /nfs/dbraw/zinc/02/73/55/553027355.db2.gz KYGUHXWIQPBHJO-HOTGVXAUSA-N 1 0 384.307 2.808 20 0 GFADRO C[N@H+]1C[C@H]2CN(C(=O)C(=O)Nc3cc(Cl)c(Cl)cc3Cl)C[C@H]2C1 ZINC000194916130 553033490 /nfs/dbraw/zinc/03/34/90/553033490.db2.gz LRJISZQCZPFMAN-DTORHVGOSA-N 1 0 376.671 2.605 20 0 GFADRO CN(Cc1c(F)cccc1Cl)S(=O)(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000194934232 553034144 /nfs/dbraw/zinc/03/41/44/553034144.db2.gz RFZNHAHNBFJMSZ-CQSZACIVSA-N 1 0 389.924 2.716 20 0 GFADRO COCC[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2c2ccc(Br)cc2)CC1 ZINC000195356460 553046141 /nfs/dbraw/zinc/04/61/41/553046141.db2.gz QZXVKTQBUQLGGP-DLBZAZTESA-N 1 0 381.314 2.780 20 0 GFADRO CCOC1CC(C[NH2+]Cc2cccc(Br)c2)(N2CCOCC2)C1 ZINC000195460572 553049174 /nfs/dbraw/zinc/04/91/74/553049174.db2.gz CQOBTBMVGFBPRH-UHFFFAOYSA-N 1 0 383.330 2.809 20 0 GFADRO C[C@H]1C[C@@H](NC(=O)c2cc(Cl)ccc2I)CC[NH2+]1 ZINC000219250800 553054324 /nfs/dbraw/zinc/05/43/24/553054324.db2.gz TWIVHBVBJLUHQG-WPRPVWTQSA-N 1 0 378.641 2.815 20 0 GFADRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)c1ccc(F)cc1I ZINC000226292386 553061672 /nfs/dbraw/zinc/06/16/72/553061672.db2.gz HSRDIVFODTYCSD-ZDUSSCGKSA-N 1 0 378.229 2.876 20 0 GFADRO [NH3+]C[C@@H]1c2ccccc2CCN1S(=O)(=O)c1sccc1Br ZINC000227722102 553063242 /nfs/dbraw/zinc/06/32/42/553063242.db2.gz FPSKAVNOPYDMEZ-CYBMUJFWSA-N 1 0 387.324 2.757 20 0 GFADRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)c3ccc(F)cc3I)C[C@@H]21 ZINC000230069156 553064585 /nfs/dbraw/zinc/06/45/85/553064585.db2.gz RKZNSLWONUIJNK-DUFXMDAXSA-N 1 0 388.224 2.630 20 0 GFADRO O=C(NCc1ccc(Br)cc1Oc1ccccc1)[C@@H]1C[NH2+]CCO1 ZINC000236688038 553070596 /nfs/dbraw/zinc/07/05/96/553070596.db2.gz DWJGYDJKEKFTFZ-KRWDZBQOSA-N 1 0 391.265 2.846 20 0 GFADRO CC(C)C[C@@](C)(C[NH3+])NS(=O)(=O)c1cc(N(C)C)ccc1Br ZINC000236722669 553070812 /nfs/dbraw/zinc/07/08/12/553070812.db2.gz JEBOAYLGHGYIJB-HNNXBMFYSA-N 1 0 392.363 2.557 20 0 GFADRO CCC(CC)(C[NH3+])NC(=O)CCC[S@@](=O)c1ccc(Br)cc1 ZINC000236736354 553071146 /nfs/dbraw/zinc/07/11/46/553071146.db2.gz OIQWYOGXNAOEBE-JOCHJYFZSA-N 1 0 389.359 2.971 20 0 GFADRO CC(C)([NH3+])CC(=O)N1CCC(C(=O)Nc2ccccc2Br)CC1 ZINC000236826794 553071687 /nfs/dbraw/zinc/07/16/87/553071687.db2.gz PKSGMHODBXOVOP-UHFFFAOYSA-N 1 0 382.302 2.754 20 0 GFADRO CCCN(C1CC[NH2+]CC1)S(=O)(=O)c1cccc(Br)c1C ZINC000236878021 553072444 /nfs/dbraw/zinc/07/24/44/553072444.db2.gz QASTYOFTPKYTSY-UHFFFAOYSA-N 1 0 375.332 2.910 20 0 GFADRO CC[C@@H](C)[C@@H]([NH3+])C(=O)N1CCC(C(=O)Nc2ccccc2Br)CC1 ZINC000236945740 553073088 /nfs/dbraw/zinc/07/30/88/553073088.db2.gz XKGPDSCOFXSIBQ-MLGOLLRUSA-N 1 0 396.329 3.000 20 0 GFADRO CCc1nc(C(=O)N2C[C@H](C)[NH2+]C[C@@H]2C)nn1-c1c(Cl)cccc1Cl ZINC000237025066 553073504 /nfs/dbraw/zinc/07/35/04/553073504.db2.gz POPNEIJUXAZBJV-QWRGUYRKSA-N 1 0 382.295 2.959 20 0 GFADRO C[NH2+]CCNC(=O)c1cc2cc(Br)cc(Br)c2o1 ZINC000237111454 553074787 /nfs/dbraw/zinc/07/47/87/553074787.db2.gz OTRXOUNYNJZXMF-UHFFFAOYSA-N 1 0 376.048 2.907 20 0 GFADRO COc1c(C[NH2+][C@H]2CCN(c3ccc(Br)cc3)C2)c(C)nn1C ZINC000237209864 553075830 /nfs/dbraw/zinc/07/58/30/553075830.db2.gz OOQCYIADIDHHSV-AWEZNQCLSA-N 1 0 379.302 2.868 20 0 GFADRO C[NH2+]C[C@@H]1CCCN(C(=O)c2c(C)c3cc(Br)ccc3oc2=O)C1 ZINC000237250234 553075901 /nfs/dbraw/zinc/07/59/01/553075901.db2.gz JYXPAHRUKORIOP-LBPRGKRZSA-N 1 0 393.281 2.936 20 0 GFADRO COc1ccc(S(=O)(=O)C(F)(F)F)cc1NC(=O)CCCCCC[NH3+] ZINC000237234646 553076123 /nfs/dbraw/zinc/07/61/23/553076123.db2.gz IXADDLRHQOTCKB-UHFFFAOYSA-N 1 0 382.404 2.836 20 0 GFADRO C[NH2+]C[C@H]1CCCN(C(=O)/C=C/c2cc(Br)c3c(c2)OCCO3)C1 ZINC000237343625 553076918 /nfs/dbraw/zinc/07/69/18/553076918.db2.gz PQTQGJVSXWSEJJ-ISZGNANSSA-N 1 0 395.297 2.692 20 0 GFADRO C[C@@H](CC(=O)NCC(=O)Nc1ccc(Br)cc1)[C@H]1CCC[NH2+]C1 ZINC000237404419 553077747 /nfs/dbraw/zinc/07/77/47/553077747.db2.gz IKGPFYXZDQXPDC-STQMWFEESA-N 1 0 382.302 2.530 20 0 GFADRO C[C@@]1(C(=O)Nc2ncn(Cc3cccc(Br)c3)n2)CCCC[NH2+]1 ZINC000237640770 553079807 /nfs/dbraw/zinc/07/98/07/553079807.db2.gz NFTIGYDSZHNOOM-INIZCTEOSA-N 1 0 378.274 2.560 20 0 GFADRO Cc1c(C(=O)N2CCC[C@H](C)[C@H]2C[NH3+])nnn1-c1cccc(Br)c1 ZINC000237664479 553080376 /nfs/dbraw/zinc/08/03/76/553080376.db2.gz NBIYMEKWLYVYGF-XHDPSFHLSA-N 1 0 392.301 2.538 20 0 GFADRO O=C(NCC[C@@H]1CCC[NH2+]C1)[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000237733499 553081150 /nfs/dbraw/zinc/08/11/50/553081150.db2.gz IBBUEFSWYYWSQU-GXTWGEPZSA-N 1 0 384.307 2.852 20 0 GFADRO O=C(C[C@@H]1CSCC[NH2+]1)N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000237802333 553082468 /nfs/dbraw/zinc/08/24/68/553082468.db2.gz XPFYKMLYKZLALO-IUODEOHRSA-N 1 0 375.321 2.988 20 0 GFADRO O=C(NC[C@H]1CCCN(C(=O)c2cc(Cl)cc(Cl)c2)C1)[C@H]1CCC[NH2+]1 ZINC000237833786 553082778 /nfs/dbraw/zinc/08/27/78/553082778.db2.gz JVKUXVFNPYVIDW-MLGOLLRUSA-N 1 0 384.307 2.714 20 0 GFADRO O=C(NC[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2Cl)C1)[C@@H]1CCC[NH2+]1 ZINC000237861607 553083376 /nfs/dbraw/zinc/08/33/76/553083376.db2.gz OKPKYKLGSAZCTA-LRDDRELGSA-N 1 0 384.307 2.714 20 0 GFADRO [NH3+]C[C@H]1CCCN(C(=O)C2(c3ccc(Br)cc3)CCOCC2)C1 ZINC000237863974 553083386 /nfs/dbraw/zinc/08/33/86/553083386.db2.gz CFLUUSAOEAOBDO-CQSZACIVSA-N 1 0 381.314 2.695 20 0 GFADRO O=C(C[NH2+]C[C@@H]1CCCO1)Nc1ccnn1Cc1cccc(Cl)c1Cl ZINC000237860849 553083470 /nfs/dbraw/zinc/08/34/70/553083470.db2.gz AFLAMHKWCUQRMP-ZDUSSCGKSA-N 1 0 383.279 2.945 20 0 GFADRO O=S(=O)(c1ccc(F)c(C(F)(F)F)c1)N1CCC([NH2+]CC2CC2)CC1 ZINC000237886031 553083591 /nfs/dbraw/zinc/08/35/91/553083591.db2.gz VRXDTHFQZLCZIJ-UHFFFAOYSA-N 1 0 380.407 2.997 20 0 GFADRO O=C(C[NH2+]C[C@H]1CCCO1)Nc1ccnn1Cc1cccc(Cl)c1Cl ZINC000237860880 553083625 /nfs/dbraw/zinc/08/36/25/553083625.db2.gz AFLAMHKWCUQRMP-CYBMUJFWSA-N 1 0 383.279 2.945 20 0 GFADRO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)c1ccn(-c2cccc(Br)c2)n1 ZINC000237929732 553083857 /nfs/dbraw/zinc/08/38/57/553083857.db2.gz IMUIFYYUYFBASV-SWLSCSKDSA-N 1 0 377.286 2.882 20 0 GFADRO O=C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1 ZINC000237909449 553083864 /nfs/dbraw/zinc/08/38/64/553083864.db2.gz LSDPLWHMTFEFRD-FMVWZJFZSA-N 1 0 382.291 2.746 20 0 GFADRO [NH3+][C@@H]1CCC[C@H]1C(=O)N1CCC(C(=O)Nc2ccccc2Br)CC1 ZINC000237937446 553084122 /nfs/dbraw/zinc/08/41/22/553084122.db2.gz GWFNYOLKERLUHT-UKRRQHHQSA-N 1 0 394.313 2.754 20 0 GFADRO [NH3+]Cc1ccc(C(=O)NC2CCN(Cc3ccc(Br)cc3)CC2)o1 ZINC000237961356 553084866 /nfs/dbraw/zinc/08/48/66/553084866.db2.gz SEGNLZYAIJXMRF-UHFFFAOYSA-N 1 0 392.297 2.895 20 0 GFADRO [NH3+]CC1(NC(=O)c2cc(F)c(F)cc2I)CCCC1 ZINC000238019484 553085258 /nfs/dbraw/zinc/08/52/58/553085258.db2.gz WLFBHBREXJUQTK-UHFFFAOYSA-N 1 0 380.176 2.571 20 0 GFADRO [NH3+]CC1CCN(C(=O)c2ccc(Cl)c(I)c2)CC1 ZINC000238034511 553085285 /nfs/dbraw/zinc/08/52/85/553085285.db2.gz XPJYOKPLXPCBPD-UHFFFAOYSA-N 1 0 378.641 2.756 20 0 GFADRO [NH3+]C[C@@H](NC(=O)CCc1ncc(-c2ccccc2Br)o1)C1CC1 ZINC000238061832 553085730 /nfs/dbraw/zinc/08/57/30/553085730.db2.gz OEOZMWIVPJQRGM-CQSZACIVSA-N 1 0 378.270 2.890 20 0 GFADRO C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000245395766 553089416 /nfs/dbraw/zinc/08/94/16/553089416.db2.gz IWTXDHWUIOBBQT-MAUKXSAKSA-N 1 0 394.357 2.966 20 0 GFADRO O=C(N[C@@H]1CCN(c2ccccc2Br)C1)[C@H]1CCCn2ccnc21 ZINC000245415326 553090155 /nfs/dbraw/zinc/09/01/55/553090155.db2.gz FWPRIJLLJJKFQD-KGLIPLIRSA-N 1 0 389.297 2.918 20 0 GFADRO NC(=O)CC[C@@H]1CCC[N@H+](C[C@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000245400864 553090204 /nfs/dbraw/zinc/09/02/04/553090204.db2.gz YYECPIDHPHGYJI-STQMWFEESA-N 1 0 375.296 2.711 20 0 GFADRO NC(=O)[C@H](c1cccc(Br)c1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000245785458 553096781 /nfs/dbraw/zinc/09/67/81/553096781.db2.gz MSUSRTQCUBVASS-SJORKVTESA-N 1 0 380.330 2.926 20 0 GFADRO COCCO[C@@H]1CCC[N@H+](C[C@@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000246004789 553100885 /nfs/dbraw/zinc/10/08/85/553100885.db2.gz YQRSHSOTHVGCFE-HUUCEWRRSA-N 1 0 378.296 2.861 20 0 GFADRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2cc3c(c(Br)c2)OCO3)C1 ZINC000246415248 553107922 /nfs/dbraw/zinc/10/79/22/553107922.db2.gz AENCAMBOTLLDTH-FZMZJTMJSA-N 1 0 381.270 2.734 20 0 GFADRO CCO[C@@H]1C[C@H](O)C12CC[NH+](C[C@@H](O)c1cccc(Br)c1)CC2 ZINC000246707676 553112185 /nfs/dbraw/zinc/11/21/85/553112185.db2.gz CKBSQJQJUAKXME-IXDOHACOSA-N 1 0 384.314 2.734 20 0 GFADRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N[C@H](CO)c1cccc(Br)c1 ZINC000246730661 553112236 /nfs/dbraw/zinc/11/22/36/553112236.db2.gz GGAYCRCIJBDFGR-CKEIUWERSA-N 1 0 398.345 2.902 20 0 GFADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2cncc(Br)c2)[C@@H](C)C1 ZINC000246778908 553112999 /nfs/dbraw/zinc/11/29/99/553112999.db2.gz LSHVTEWDXHWOTK-BBRMVZONSA-N 1 0 384.318 2.711 20 0 GFADRO C[C@H](C(=O)Nc1ccc(Br)cc1)[N@@H+]1CCC[C@@H](Cn2ccnn2)C1 ZINC000246938813 553115720 /nfs/dbraw/zinc/11/57/20/553115720.db2.gz ZDVJMOWCBNSXNB-ZIAGYGMSSA-N 1 0 392.301 2.780 20 0 GFADRO Cc1cc(=O)n2nc(C[N@@H+]3CCC[C@@H]3C[C@@H](O)c3cccs3)sc2n1 ZINC000246989147 553116399 /nfs/dbraw/zinc/11/63/99/553116399.db2.gz KCCZYHDYGDSDKV-CHWSQXEVSA-N 1 0 376.507 2.609 20 0 GFADRO Cc1cc(S(=O)(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)ccc1Br ZINC000248039144 553127153 /nfs/dbraw/zinc/12/71/53/553127153.db2.gz SFXKDSPQFLDLGZ-BBRMVZONSA-N 1 0 387.343 2.862 20 0 GFADRO Cc1ccc(Cl)c(OC[C@@H](O)CN2CCN(CC(F)(F)F)[C@@H](C)C2)c1 ZINC000248616488 553131770 /nfs/dbraw/zinc/13/17/70/553131770.db2.gz ZCIYGOHFAXIPIT-KBPBESRZSA-N 1 0 380.838 2.957 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2Cc3cc(Br)ccc3O2)[C@H](C)C1 ZINC000248713374 553133871 /nfs/dbraw/zinc/13/38/71/553133871.db2.gz DGYZAFZKFPCYJU-ISTRZQFTSA-N 1 0 381.314 2.941 20 0 GFADRO Cc1cc(Br)cc(S(=O)(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000249098658 553138862 /nfs/dbraw/zinc/13/88/62/553138862.db2.gz ZINAYUDXGDHQDQ-GXTWGEPZSA-N 1 0 375.332 2.861 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(Br)cc2C)[C@@H](C)C1 ZINC000249113815 553139626 /nfs/dbraw/zinc/13/96/26/553139626.db2.gz AYSVNOVEZBARQN-XJKSGUPXSA-N 1 0 396.329 2.885 20 0 GFADRO O=C1[C@H](N2CC[C@@H](C[NH+]3CCCC3)C2)CCN1c1cccc(Br)c1 ZINC000249254597 553141002 /nfs/dbraw/zinc/14/10/02/553141002.db2.gz HKFKYNMBMLPPSV-MAUKXSAKSA-N 1 0 392.341 2.972 20 0 GFADRO C[C@H](O)C[N@@H+]1CCN(Cc2ncc(-c3ccccc3Br)o2)[C@H](C)C1 ZINC000249270936 553141602 /nfs/dbraw/zinc/14/16/02/553141602.db2.gz JKESFFYJXGDROB-KGLIPLIRSA-N 1 0 394.313 2.991 20 0 GFADRO C[C@@H](C(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1)c1ccc(Br)cc1 ZINC000249347209 553142407 /nfs/dbraw/zinc/14/24/07/553142407.db2.gz JXARLJCQPPJFFT-ZIAGYGMSSA-N 1 0 383.330 2.856 20 0 GFADRO O[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@@H+]2Cc1cc(Br)c2c(c1)OCCCO2 ZINC000249653186 553145039 /nfs/dbraw/zinc/14/50/39/553145039.db2.gz YULJWOPGBNIIBT-CMSWKTDVSA-N 1 0 380.282 2.812 20 0 GFADRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)[C@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 ZINC000250093964 553147574 /nfs/dbraw/zinc/14/75/74/553147574.db2.gz QMTXPEMNNXVAHX-HFBAOOFYSA-N 1 0 384.307 2.712 20 0 GFADRO CS(=O)(=O)N1CCC[N@H+](CC/C=C\c2ccc(Br)cc2)CC1 ZINC000255282086 553152149 /nfs/dbraw/zinc/15/21/49/553152149.db2.gz HILUTMGYUDZTNH-DJWKRKHSSA-N 1 0 387.343 2.820 20 0 GFADRO COc1ccc(Br)c(C(=O)Nc2ccc(N3CC[NH2+]CC3)cn2)c1 ZINC000261615415 553154131 /nfs/dbraw/zinc/15/41/31/553154131.db2.gz FGYFFKGSXSPAQU-UHFFFAOYSA-N 1 0 391.269 2.515 20 0 GFADRO O=C(c1cc(Cl)ccc1I)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261627449 553154558 /nfs/dbraw/zinc/15/45/58/553154558.db2.gz VLGLSGVPUWISSL-VHSXEESVSA-N 1 0 390.652 2.626 20 0 GFADRO CO[C@@H]1CCN(S(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)[C@H](C[NH3+])C1 ZINC000261641352 553155120 /nfs/dbraw/zinc/15/51/20/553155120.db2.gz ACPQUZOGCCTHRL-VHSXEESVSA-N 1 0 387.716 2.774 20 0 GFADRO [NH3+][C@@H]1CCC[C@H]1CC(=O)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000261652017 553155263 /nfs/dbraw/zinc/15/52/63/553155263.db2.gz DQYCUQMNOYKZMK-BLLLJJGKSA-N 1 0 384.307 2.795 20 0 GFADRO COc1ccc(Br)cc1S(=O)(=O)N1C[C@H]([NH3+])Cc2ccccc21 ZINC000261658485 553155419 /nfs/dbraw/zinc/15/54/19/553155419.db2.gz GAMFZERTWOAKFY-CYBMUJFWSA-N 1 0 397.294 2.536 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)N1C[C@H](C[NH3+])C[C@@H]1C ZINC000261684374 553156537 /nfs/dbraw/zinc/15/65/37/553156537.db2.gz HZZDZJJNLWXZHJ-ZNMIVQPWSA-N 1 0 384.567 2.547 20 0 GFADRO C[C@@]([NH3+])(C(=O)NC[C@H]1CSCCS1)c1ccc(Br)cc1 ZINC000261752763 553157906 /nfs/dbraw/zinc/15/79/06/553157906.db2.gz MVERSUPRPBHEGH-JSGCOSHPSA-N 1 0 375.357 2.588 20 0 GFADRO C[C@H](NC(=O)[C@@](C)([NH3+])c1ccc(Br)cc1)C(=O)N1CCCC[C@@H]1C ZINC000261750965 553158082 /nfs/dbraw/zinc/15/80/82/553158082.db2.gz MSNTYXWAGLIOAF-LXIYXOSZSA-N 1 0 396.329 2.529 20 0 GFADRO O=C(CN1CC[C@@H](N2CC[NH2+]CC2)C1)Nc1c(Cl)cc(Cl)cc1Cl ZINC000261746525 553158232 /nfs/dbraw/zinc/15/82/32/553158232.db2.gz UHHURULYMCMJHK-GFCCVEGCSA-N 1 0 391.730 2.565 20 0 GFADRO Ic1ccc(CN2CC[NH2+]C[C@@H]2c2cccnc2)cc1 ZINC000261766286 553158559 /nfs/dbraw/zinc/15/85/59/553158559.db2.gz OKZBPWPENMGXDF-MRXNPFEDSA-N 1 0 379.245 2.833 20 0 GFADRO O=C(Nc1ccc(N2CC[NH2+]CC2)cn1)c1c(F)cc(Br)cc1F ZINC000261770541 553158733 /nfs/dbraw/zinc/15/87/33/553158733.db2.gz WUVZQYIIMGZXIQ-UHFFFAOYSA-N 1 0 397.223 2.784 20 0 GFADRO O=C(CC[C@@H]1CC[NH2+]C1)N1CCN(Cc2ccc(Br)s2)CC1 ZINC000261790220 553159412 /nfs/dbraw/zinc/15/94/12/553159412.db2.gz CKUCWERSBQQRKR-CYBMUJFWSA-N 1 0 386.359 2.545 20 0 GFADRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)c1nn(-c2ccc(F)cc2)cc1Br ZINC000261818694 553159804 /nfs/dbraw/zinc/15/98/04/553159804.db2.gz NIGYFYMWVYJLSX-GHMZBOCLSA-N 1 0 381.249 2.583 20 0 GFADRO C[NH2+][C@H](C)CNC(=O)c1ccc(NC(=O)c2ccc(Br)o2)cc1 ZINC000261869872 553161843 /nfs/dbraw/zinc/16/18/43/553161843.db2.gz ZPBZKFXUFWJCRB-SNVBAGLBSA-N 1 0 380.242 2.632 20 0 GFADRO [NH3+][C@@H]1CCC[C@H]1CC(=O)Nc1cc(Br)ccc1N1CCOCC1 ZINC000261887388 553162266 /nfs/dbraw/zinc/16/22/66/553162266.db2.gz ZWEXJSVZMLGZMM-GXTWGEPZSA-N 1 0 382.302 2.742 20 0 GFADRO CC(C)[C@H]([NH3+])C(=O)NCC(=O)Nc1cccc(Cl)c1SCC(F)F ZINC000261973537 553163513 /nfs/dbraw/zinc/16/35/13/553163513.db2.gz BNNLLCSDTKFUBL-ZDUSSCGKSA-N 1 0 379.860 2.735 20 0 GFADRO Cc1cc(Br)cn2c(CN3CC[NH2+]C[C@H]3c3ccncc3)cnc12 ZINC000261945572 553163589 /nfs/dbraw/zinc/16/35/89/553163589.db2.gz FHRIONJYPZSGSN-KRWDZBQOSA-N 1 0 386.297 2.947 20 0 GFADRO CCCN([C@H]1CC[NH2+]C1)S(=O)(=O)c1cccc(Br)c1Cl ZINC000261998878 553164238 /nfs/dbraw/zinc/16/42/38/553164238.db2.gz FYYVXOOOJUFLCQ-JTQLQIEISA-N 1 0 381.723 2.865 20 0 GFADRO CCc1nc(C(=O)N2CC[C@@](C)(C[NH3+])C2)nn1-c1c(Cl)cccc1Cl ZINC000262039168 553164593 /nfs/dbraw/zinc/16/45/93/553164593.db2.gz QBTGQIMQIBONMG-KRWDZBQOSA-N 1 0 382.295 2.947 20 0 GFADRO O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1cc(F)c(Cl)cc1Cl ZINC000262036420 553164826 /nfs/dbraw/zinc/16/48/26/553164826.db2.gz PUZXAQGLXKPFKT-GFCCVEGCSA-N 1 0 388.192 2.698 20 0 GFADRO O=C(NCc1ccc(F)cc1Br)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000262024031 553164851 /nfs/dbraw/zinc/16/48/51/553164851.db2.gz ARWAWQWJGPXANV-ZDUSSCGKSA-N 1 0 381.249 2.639 20 0 GFADRO Cc1sc2nc(CS[C@H](C)C(=O)NC3CC[NH2+]CC3)[nH]c(=O)c2c1C ZINC000262111480 553165905 /nfs/dbraw/zinc/16/59/05/553165905.db2.gz DZINMHNYNIHOFE-LLVKDONJSA-N 1 0 380.539 2.504 20 0 GFADRO COCC1(C(=O)NCCCc2ccc(Br)cc2F)CC[NH2+]CC1 ZINC000262447066 553170792 /nfs/dbraw/zinc/17/07/92/553170792.db2.gz YYVRLJNYPPXJPI-UHFFFAOYSA-N 1 0 387.293 2.653 20 0 GFADRO [NH3+]C1(C(=O)N2CCN(C(=O)c3cc4sccc4s3)CC2)CCCCC1 ZINC000262492797 553171376 /nfs/dbraw/zinc/17/13/76/553171376.db2.gz XVEQBAWQIAIDPU-UHFFFAOYSA-N 1 0 377.535 2.909 20 0 GFADRO CC(C)(C[NH3+])NC(=O)c1nn(-c2ccc(Br)cc2)c2c1CCCC2 ZINC000262549381 553172468 /nfs/dbraw/zinc/17/24/68/553172468.db2.gz PJKOHIZFHBSJAL-UHFFFAOYSA-N 1 0 391.313 2.981 20 0 GFADRO CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1([NH3+])C(=O)NCCc1ccc(Br)s1 ZINC000262551209 553172559 /nfs/dbraw/zinc/17/25/59/553172559.db2.gz SKRRMPXXIQZBQB-NORZTCDRSA-N 1 0 387.343 2.702 20 0 GFADRO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)Cc1csc(NC(=O)c2cccs2)n1 ZINC000262627261 553173423 /nfs/dbraw/zinc/17/34/23/553173423.db2.gz LXAXTPUOBDNBFU-WCQYABFASA-N 1 0 378.523 2.633 20 0 GFADRO Cc1c(C(=O)N[C@H]2CC[NH2+]C[C@@H]2C)cnn1-c1cccc(Br)c1 ZINC000262726611 553174681 /nfs/dbraw/zinc/17/46/81/553174681.db2.gz HKUFPDFLXWMNIT-ZBEGNZNMSA-N 1 0 377.286 2.671 20 0 GFADRO CC(=O)N[C@H](CC(=O)N1CCCC[C@@H]1[C@@H](C)[NH3+])c1ccc(Br)cc1 ZINC000262760911 553174964 /nfs/dbraw/zinc/17/49/64/553174964.db2.gz QSCNNYVXZYAMKI-CSMYWGQOSA-N 1 0 396.329 2.745 20 0 GFADRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1 ZINC000262759529 553174985 /nfs/dbraw/zinc/17/49/85/553174985.db2.gz KOAIBOIUEHHQEN-CZUORRHYSA-N 1 0 384.929 2.541 20 0 GFADRO C[C@H]1C[C@H](NS(=O)(=O)c2cc(Cl)c(Br)cc2F)CC[NH2+]1 ZINC000262811751 553176419 /nfs/dbraw/zinc/17/64/19/553176419.db2.gz YGMGPCMWWFMGHM-JGVFFNPUSA-N 1 0 385.686 2.660 20 0 GFADRO Cc1c(C(=O)N2CC[NH2+][C@H](C)[C@H]2C)cnn1-c1cccc(Br)c1 ZINC000262804210 553176430 /nfs/dbraw/zinc/17/64/30/553176430.db2.gz PQBPBDBOXGUMJD-VXGBXAGGSA-N 1 0 377.286 2.766 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)CCC[S@@](=O)c2ccc(Br)cc2)CC[NH2+]1 ZINC000262859898 553177348 /nfs/dbraw/zinc/17/73/48/553177348.db2.gz LCUKTAGPWHAHKS-UZRORNOBSA-N 1 0 387.343 2.594 20 0 GFADRO CCOc1cc(Br)c(CC(=O)N[C@H]2CC[NH2+]C[C@@H]2C)cc1OCC ZINC000262910624 553178560 /nfs/dbraw/zinc/17/85/60/553178560.db2.gz YMYJGBCWDJROEH-WFASDCNBSA-N 1 0 399.329 2.903 20 0 GFADRO C[C@@H](NC(=O)N[C@@H]1C[NH2+]CCC1(F)F)c1ccc(Br)cc1F ZINC000418182754 563900726 /nfs/dbraw/zinc/90/07/26/563900726.db2.gz KGUNRXYIOKPFAH-PRHODGIISA-N 1 0 380.208 2.946 20 0 GFADRO C[C@H]1C[C@@H](C[NH3+])CN1S(=O)(=O)Cc1cc(Cl)ccc1Br ZINC000564968209 564259940 /nfs/dbraw/zinc/25/99/40/564259940.db2.gz ULPPTWKEBRREHO-UWVGGRQHSA-N 1 0 381.723 2.601 20 0 GFADRO C[C@H](CNS(=O)(=O)c1ccc(Cl)cc1Br)[NH+]1CCCC1 ZINC000541247956 564271022 /nfs/dbraw/zinc/27/10/22/564271022.db2.gz YHMZUYKJGGZNJH-SNVBAGLBSA-N 1 0 381.723 2.865 20 0 GFADRO C[C@@H]1C[C@@H]([NH2+]C[C@H](O)COc2cc(F)cc(Br)c2)C[C@H](C)O1 ZINC000567685773 564383705 /nfs/dbraw/zinc/38/37/05/564383705.db2.gz MCNBFUYIVAYEEF-JLUCKKNBSA-N 1 0 376.266 2.874 20 0 GFADRO C[C@@H]1[C@H](NC(=O)C(=O)Nc2cc(Cl)cc(Br)c2)CCC[N@@H+]1C ZINC000453702583 564467232 /nfs/dbraw/zinc/46/72/32/564467232.db2.gz QCRLLNRXNSIRKY-NOZJJQNGSA-N 1 0 388.693 2.640 20 0 GFADRO C[N@@H+]1CC[C@H](C(=O)N2CC[C@@H](Cc3cccc(I)c3)C2)C1 ZINC000570402489 564504540 /nfs/dbraw/zinc/50/45/40/564504540.db2.gz AANYJNKPJYIJCF-GJZGRUSLSA-N 1 0 398.288 2.634 20 0 GFADRO CC[N@H+](Cc1cc(I)c(OC)c(OC)c1)[C@H]1CCOC1 ZINC000463034693 564867573 /nfs/dbraw/zinc/86/75/73/564867573.db2.gz NCDXKDZJKRJGID-LBPRGKRZSA-N 1 0 391.249 2.919 20 0 GFADRO COCCN(Cc1cc(Br)cs1)C(=O)N[C@H]1CC[NH2+][C@@H](C)C1 ZINC000418595240 563220964 /nfs/dbraw/zinc/22/09/64/563220964.db2.gz GFEKGFHQLLVGLV-AAEUAGOBSA-N 1 0 390.347 2.809 20 0 GFADRO C[NH2+]CCN(C)CCOc1cc(Br)c(OC)cc1Br ZINC000420334800 563262228 /nfs/dbraw/zinc/26/22/28/563262228.db2.gz HVNKMHIQIQMQFM-UHFFFAOYSA-N 1 0 396.123 2.750 20 0 GFADRO CN1CCN(C)[C@H](C[NH2+]Cc2ccc(OC(F)(F)F)c(Br)c2)C1 ZINC000280856251 563357947 /nfs/dbraw/zinc/35/79/47/563357947.db2.gz LQTMJJPZJHLNTJ-GFCCVEGCSA-N 1 0 396.251 2.683 20 0 GFADRO Cc1cccc(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1I ZINC000300403108 563391248 /nfs/dbraw/zinc/39/12/48/563391248.db2.gz UASLNGNJYVESAD-OLZOCXBDSA-N 1 0 384.261 2.956 20 0 GFADRO C[C@H]1CN(C(=O)NCCc2c[nH]c3cccc(Br)c23)[C@@H](C)C[NH2+]1 ZINC000418193643 563213322 /nfs/dbraw/zinc/21/33/22/563213322.db2.gz CKNOANJVTRKEDP-RYUDHWBXSA-N 1 0 379.302 2.865 20 0 GFADRO O=C(NCCc1c[nH]c2cccc(Br)c12)NC[C@@H]1CCC[NH2+]C1 ZINC000418198603 563213472 /nfs/dbraw/zinc/21/34/72/563213472.db2.gz LYIWQRPTSIEOOZ-GFCCVEGCSA-N 1 0 379.302 2.772 20 0 GFADRO C[C@@H](NC(=O)N(CC[NH3+])CCc1ccccc1)c1ncc(Br)cn1 ZINC000418207958 563213513 /nfs/dbraw/zinc/21/35/13/563213513.db2.gz CMWNDUMMAQPWBV-CYBMUJFWSA-N 1 0 392.301 2.513 20 0 GFADRO COCC1(CNC(=O)NCCOc2ccc(Cl)c(Cl)c2)CC[NH2+]CC1 ZINC000418233461 563213779 /nfs/dbraw/zinc/21/37/79/563213779.db2.gz GSTFBSPDPDFMJK-UHFFFAOYSA-N 1 0 390.311 2.688 20 0 GFADRO O=C(CCNC(=O)N[C@@H]1C[NH2+]CCC1(F)F)Nc1cc(Cl)cc(Cl)c1 ZINC000418211562 563213946 /nfs/dbraw/zinc/21/39/46/563213946.db2.gz FBSDYANUIUVOMN-GFCCVEGCSA-N 1 0 395.237 2.618 20 0 GFADRO O=C(NCc1nc2c(cccc2Br)[nH]1)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000418267165 563215087 /nfs/dbraw/zinc/21/50/87/563215087.db2.gz NXQKOVTXVFZZQW-SMDDNHRTSA-N 1 0 392.301 2.513 20 0 GFADRO COc1ccc(Br)c(CN(C)C(=O)N[C@H](C)[C@@H]2CCC[NH2+]C2)c1 ZINC000418357803 563216481 /nfs/dbraw/zinc/21/64/81/563216481.db2.gz YOOUBCVBRBNNDE-CHWSQXEVSA-N 1 0 384.318 2.987 20 0 GFADRO CC(C)C[C@H](C[NH3+])NC(=O)NC(C)(C)COc1ncccc1Br ZINC000418425177 563216967 /nfs/dbraw/zinc/21/69/67/563216967.db2.gz IWFRXKNMNXOGNK-GFCCVEGCSA-N 1 0 387.322 2.674 20 0 GFADRO CC(C)([NH3+])CNC(=O)N1CCC[C@H]1c1ccccc1I ZINC000418413873 563217050 /nfs/dbraw/zinc/21/70/50/563217050.db2.gz KKBZBKGFEMDMEF-ZDUSSCGKSA-N 1 0 387.265 2.875 20 0 GFADRO C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)NCC(C)(C)[NH3+])CC1 ZINC000418417794 563217336 /nfs/dbraw/zinc/21/73/36/563217336.db2.gz VLENWTOUPQHERQ-CYBMUJFWSA-N 1 0 383.334 2.575 20 0 GFADRO [NH3+][C@H](CNC(=O)N[C@@H](CCO)c1ccccc1Br)c1ccccc1 ZINC000418432595 563217669 /nfs/dbraw/zinc/21/76/69/563217669.db2.gz SOAACAWLVMLEBU-SJORKVTESA-N 1 0 392.297 2.872 20 0 GFADRO C[NH+](C)CCNC(=O)C1CCN(C(=O)c2cc(Cl)c(F)cc2Cl)CC1 ZINC000294839792 563218421 /nfs/dbraw/zinc/21/84/21/563218421.db2.gz RTEQVZQSWAERLS-UHFFFAOYSA-N 1 0 390.286 2.663 20 0 GFADRO COCCN(Cc1cc(Br)cs1)C(=O)NCC1([NH3+])CCC1 ZINC000418508027 563218550 /nfs/dbraw/zinc/21/85/50/563218550.db2.gz JZCZSCSUXLYRMC-UHFFFAOYSA-N 1 0 376.320 2.550 20 0 GFADRO CCC[NH2+]CCNC(=O)N1CCO[C@@H](c2ccc(F)c(Br)c2)C1 ZINC000418480484 563218753 /nfs/dbraw/zinc/21/87/53/563218753.db2.gz QUBMCHHHAJRLEE-OAHLLOKOSA-N 1 0 388.281 2.671 20 0 GFADRO C[C@H](CC[NH3+])NC(=O)N(CCc1ccc(Cl)cc1)C[C@H](O)C(F)(F)F ZINC000418533188 563219558 /nfs/dbraw/zinc/21/95/58/563219558.db2.gz UZTCZMUYUHGYOD-RISCZKNCSA-N 1 0 381.826 2.555 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H](NC(=O)N2CCO[C@H](c3ccc(Br)cc3)C2)C1 ZINC000418572099 563219893 /nfs/dbraw/zinc/21/98/93/563219893.db2.gz DYXHHFVFQLVREW-OAGGEKHMSA-N 1 0 382.302 2.802 20 0 GFADRO C[C@]1(CNC(=O)N[C@H](CCO)c2ccccc2Br)CCC[NH2+]C1 ZINC000418550928 563220128 /nfs/dbraw/zinc/22/01/28/563220128.db2.gz UFJGNCKJLVAYGI-WBVHZDCISA-N 1 0 384.318 2.562 20 0 GFADRO COCCN(Cc1ccc(Br)s1)C(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000418596232 563220689 /nfs/dbraw/zinc/22/06/89/563220689.db2.gz HCHGEPGHVCUBII-VXGBXAGGSA-N 1 0 390.347 2.809 20 0 GFADRO CC[NH2+][C@H](C)CNC(=O)N1CCO[C@H](c2ccc(Br)cc2)[C@H]1C ZINC000418595857 563220709 /nfs/dbraw/zinc/22/07/09/563220709.db2.gz XIIUSTDTSHRGFT-IOASZLSFSA-N 1 0 384.318 2.919 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)N2CCO[C@@H](c3cccc(Br)c3)C2)CC[NH2+]1 ZINC000418609689 563221315 /nfs/dbraw/zinc/22/13/15/563221315.db2.gz SOAYQLYQVFTXMJ-DAXOMENPSA-N 1 0 382.302 2.673 20 0 GFADRO O[C@H]([C@H]1CCC[N@@H+](C[C@H](O)COCc2ccccc2Cl)C1)C(F)(F)F ZINC000277706147 563221892 /nfs/dbraw/zinc/22/18/92/563221892.db2.gz IARKWWIATMTFFF-DUVNUKRYSA-N 1 0 381.822 2.853 20 0 GFADRO C[C@@H](CCC[NH3+])NC(=O)N1CCN(C(=O)c2cc3sccc3s2)CC1 ZINC000418687489 563221926 /nfs/dbraw/zinc/22/19/26/563221926.db2.gz MCQMQYRUWRTTIB-LBPRGKRZSA-N 1 0 380.539 2.558 20 0 GFADRO Cc1nccnc1CC[NH2+][C@@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000294926625 563222388 /nfs/dbraw/zinc/22/23/88/563222388.db2.gz HEAHBYOFZLXUEA-VIFPVBQESA-N 1 0 389.308 2.633 20 0 GFADRO CC[C@H]([NH3+])CNC(=O)N1CCC[C@@H]1c1ccc(I)cc1 ZINC000418712127 563222612 /nfs/dbraw/zinc/22/26/12/563222612.db2.gz WWVNQJKMEQXEGL-UONOGXRCSA-N 1 0 387.265 2.875 20 0 GFADRO COc1cc(Br)c(C[NH2+]C2CCN(c3cccnn3)CC2)cc1O ZINC000277725444 563222752 /nfs/dbraw/zinc/22/27/52/563222752.db2.gz SRIWRUJQLCIXSG-UHFFFAOYSA-N 1 0 393.285 2.712 20 0 GFADRO C[C@@H](CCC[NH3+])NC(=O)N1CCO[C@H](c2ccc(F)c(Br)c2)C1 ZINC000418695443 563222891 /nfs/dbraw/zinc/22/28/91/563222891.db2.gz XXTYGDQOBBJTFB-NHYWBVRUSA-N 1 0 388.281 2.799 20 0 GFADRO Cc1cc(Br)ccc1C(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000369765178 563223976 /nfs/dbraw/zinc/22/39/76/563223976.db2.gz FCAXBNDHMWJHQF-CRAIPNDOSA-N 1 0 394.357 2.856 20 0 GFADRO CCCN(C(=O)NC[C@H]1C[NH2+]CCO1)[C@H](C)c1ccccc1Br ZINC000418764643 563225195 /nfs/dbraw/zinc/22/51/95/563225195.db2.gz KZLZCGPETXOEFL-ZIAGYGMSSA-N 1 0 384.318 2.920 20 0 GFADRO O=S(=O)(NCC1CC[NH+](C2CC2)CC1)c1cc(F)ccc1Br ZINC000277767116 563225479 /nfs/dbraw/zinc/22/54/79/563225479.db2.gz RWRCMQSRGMDIML-UHFFFAOYSA-N 1 0 391.306 2.741 20 0 GFADRO O=C(NCCC[C@@H]1CCC[NH2+]1)NC[C@H](O)COc1cccc(Cl)c1Cl ZINC000418776184 563225818 /nfs/dbraw/zinc/22/58/18/563225818.db2.gz UCNHJUVEDABSMO-STQMWFEESA-N 1 0 390.311 2.565 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)N[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000418819484 563226672 /nfs/dbraw/zinc/22/66/72/563226672.db2.gz QLEIWKHMSZTUJO-RKOGSIPDSA-N 1 0 384.307 2.551 20 0 GFADRO O=C1N[C@@H](CC(F)(F)F)C(=O)N1C[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000277817027 563227570 /nfs/dbraw/zinc/22/75/70/563227570.db2.gz MKGIKANOBFRTGZ-AAEUAGOBSA-N 1 0 375.416 2.833 20 0 GFADRO O=S1(=O)CC[C@@H]([NH2+]C2CCN(Cc3c(Cl)cccc3Cl)CC2)C1 ZINC000369903873 563227799 /nfs/dbraw/zinc/22/77/99/563227799.db2.gz DAVIYQHEZSBWTJ-CYBMUJFWSA-N 1 0 377.337 2.735 20 0 GFADRO O=S(=O)(c1cccc2c(Cl)ccnc21)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000295066080 563228147 /nfs/dbraw/zinc/22/81/47/563228147.db2.gz ACLSKHJYQIBPFE-AWEZNQCLSA-N 1 0 379.913 2.995 20 0 GFADRO C[C@H]1CN(C(=O)C(=O)N[C@H]2C[C@H](c3ccc(Cl)c(Cl)c3)C2)CC[C@@H]1[NH3+] ZINC000418894515 563229246 /nfs/dbraw/zinc/22/92/46/563229246.db2.gz RJAAIKPKYPSUCV-SDPXSBNPSA-N 1 0 384.307 2.551 20 0 GFADRO Cc1ccc(NC(=O)c2c(Br)cnn2C)c(OCC[NH+](C)C)c1 ZINC000295123814 563230258 /nfs/dbraw/zinc/23/02/58/563230258.db2.gz ZVPNQFDHATXMHQ-UHFFFAOYSA-N 1 0 381.274 2.684 20 0 GFADRO CC[C@H](NC(=O)C(=O)NCc1ccc2c(c1)C[NH2+]C2)c1ccc(Cl)s1 ZINC000419038151 563232624 /nfs/dbraw/zinc/23/26/24/563232624.db2.gz IYBFIOMPUBYIRK-AWEZNQCLSA-N 1 0 377.897 2.888 20 0 GFADRO CC[C@@H](Cc1ccccc1Br)NC(=O)C(=O)NCC([NH3+])(CC)CC ZINC000419053149 563233252 /nfs/dbraw/zinc/23/32/52/563233252.db2.gz JFZRECDSBXJCLE-AWEZNQCLSA-N 1 0 398.345 2.520 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N[C@@H]1CCc2c1ccc(Cl)c2Cl ZINC000419100309 563233923 /nfs/dbraw/zinc/23/39/23/563233923.db2.gz PTOKEKMMELFCQP-COLVAYQJSA-N 1 0 384.307 2.825 20 0 GFADRO CC(C)[C@H]([NH3+])CNC(=O)C(=O)NCC1(c2c(Cl)cccc2Cl)CCC1 ZINC000419168339 563234443 /nfs/dbraw/zinc/23/44/43/563234443.db2.gz FBYYAYUDYXKADJ-CQSZACIVSA-N 1 0 386.323 2.631 20 0 GFADRO C[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000419281495 563235931 /nfs/dbraw/zinc/23/59/31/563235931.db2.gz LFNMVMBYPNDRKO-MBNYWOFBSA-N 1 0 386.323 2.545 20 0 GFADRO C[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)N1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000419277463 563236455 /nfs/dbraw/zinc/23/64/55/563236455.db2.gz GNZBKONVEYYELL-BFQNTYOBSA-N 1 0 386.323 2.769 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]CCCCCOC ZINC000295243543 563237893 /nfs/dbraw/zinc/23/78/93/563237893.db2.gz SVSWJOAOYOJOTO-ZDUSSCGKSA-N 1 0 387.318 2.869 20 0 GFADRO COc1ccc(Br)c(C(=O)NCCC[NH2+][C@@H]2C[C@H](C)O[C@H]2C)c1 ZINC000295248492 563238178 /nfs/dbraw/zinc/23/81/78/563238178.db2.gz UAXZXJLIDZVKCW-MQIPJXDCSA-N 1 0 385.302 2.733 20 0 GFADRO CSCC[C@@H]1NC(=S)N(C[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)C1=O ZINC000370310074 563240080 /nfs/dbraw/zinc/24/00/80/563240080.db2.gz XANQOEWAQSCNRN-LPHOPBHVSA-N 1 0 377.579 2.737 20 0 GFADRO C[C@@H](NC(=O)N1C[C@@H](C)[N@H+](CCO)C[C@@H]1C)c1ccc(Br)cc1 ZINC000419517339 563241333 /nfs/dbraw/zinc/24/13/33/563241333.db2.gz IPSLUTBVTVSEFO-HZSPNIEDSA-N 1 0 384.318 2.607 20 0 GFADRO C[C@@H](Cc1c(Cl)cccc1Cl)NC(=O)C(=O)N(C)[C@@H]1CCC[NH2+]CC1 ZINC000419554677 563241591 /nfs/dbraw/zinc/24/15/91/563241591.db2.gz HOKIRZPQORHNIN-QWHCGFSZSA-N 1 0 386.323 2.641 20 0 GFADRO C[NH2+]C[C@H]1CCCN(C(=O)C(=O)NC[C@H](C)c2c(Cl)cccc2Cl)C1 ZINC000419521978 563241670 /nfs/dbraw/zinc/24/16/70/563241670.db2.gz SUFOANGGCSIMTE-QWHCGFSZSA-N 1 0 386.323 2.671 20 0 GFADRO CC(C)c1nn(-c2ccc(Br)cc2)cc1C[N@@H+]1C[C@H](O)C[C@@H]1CO ZINC000370388100 563241834 /nfs/dbraw/zinc/24/18/34/563241834.db2.gz MQBOEJPDJDZWCR-IAGOWNOFSA-N 1 0 394.313 2.686 20 0 GFADRO C[C@@H](Cc1c(Cl)cccc1Cl)NC(=O)C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000419570278 563242601 /nfs/dbraw/zinc/24/26/01/563242601.db2.gz NERATSRNGWQAOM-QWHCGFSZSA-N 1 0 386.323 2.628 20 0 GFADRO C[C@H](C(=O)N1CCC[C@H]1c1cccs1)N1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000370408222 563242627 /nfs/dbraw/zinc/24/26/27/563242627.db2.gz YRSZXPPIFZORCO-ZACQAIPSSA-N 1 0 379.595 2.923 20 0 GFADRO C[C@H](Cc1c(Cl)cccc1Cl)NC(=O)C(=O)N1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000419592963 563242969 /nfs/dbraw/zinc/24/29/69/563242969.db2.gz MOZAKIIPNQCBBN-BFQNTYOBSA-N 1 0 386.323 2.769 20 0 GFADRO Cc1nc(NC(=O)N2CCC[C@H]2C[N@@H+]2CCC[C@H]2CO)ccc1Br ZINC000370419246 563243129 /nfs/dbraw/zinc/24/31/29/563243129.db2.gz UETJKRWFXNBGHN-KBPBESRZSA-N 1 0 397.317 2.606 20 0 GFADRO CS(=O)(=O)c1ccc(C[NH2+]C2CCN(Cc3cscn3)CC2)cc1Cl ZINC000370448742 563244048 /nfs/dbraw/zinc/24/40/48/563244048.db2.gz VFRBTQVSBWAMIG-UHFFFAOYSA-N 1 0 399.969 2.954 20 0 GFADRO C[C@@H](C(=O)N[C@@H]1CCC[N@H+](CCCO)C1)c1ccc(Br)s1 ZINC000295392769 563245540 /nfs/dbraw/zinc/24/55/40/563245540.db2.gz HSXUAIGSBLQELL-VXGBXAGGSA-N 1 0 375.332 2.577 20 0 GFADRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N[C@@H](C)c1ccc(Br)s1 ZINC000419700869 563246989 /nfs/dbraw/zinc/24/69/89/563246989.db2.gz CQYMZFAKSGUWTB-QWRGUYRKSA-N 1 0 390.347 2.520 20 0 GFADRO O=S1(=O)CC[C@@H]([NH2+]C2CCN(CCCc3c(F)cccc3Cl)CC2)C1 ZINC000370517418 563247306 /nfs/dbraw/zinc/24/73/06/563247306.db2.gz FWFDVURHNRFBNB-OAHLLOKOSA-N 1 0 388.936 2.653 20 0 GFADRO COC[C@@H](C)OC[C@H](O)C[N@@H+]1CCc2sc(-c3csc(C)n3)cc2C1 ZINC000278258667 563247356 /nfs/dbraw/zinc/24/73/56/563247356.db2.gz GTQWUEXPYAQCFO-IUODEOHRSA-N 1 0 382.551 2.951 20 0 GFADRO Cc1c(CNC(=O)C(=O)N2CC[C@@H]([C@@H](C)[NH3+])C2)sc2ccc(Cl)cc12 ZINC000419712628 563247375 /nfs/dbraw/zinc/24/73/75/563247375.db2.gz RFCVVTVMGXASAA-VXGBXAGGSA-N 1 0 379.913 2.675 20 0 GFADRO Cc1ccc(Br)c(C(=O)N2CCC[C@H](C[NH+]3CCN(C)CC3)C2)c1 ZINC000370574876 563248604 /nfs/dbraw/zinc/24/86/04/563248604.db2.gz YMACGSWXNHZDQO-MRXNPFEDSA-N 1 0 394.357 2.857 20 0 GFADRO C[NH2+]CCCNC(=O)C(=O)N1CCC(=Cc2cc(Cl)ccc2Cl)CC1 ZINC000419852398 563252486 /nfs/dbraw/zinc/25/24/86/563252486.db2.gz QPCCEVSDVSFGNT-UHFFFAOYSA-N 1 0 384.307 2.725 20 0 GFADRO CSc1ccc([C@@H](CN2C(=O)NC3(CCSCC3)C2=O)[NH+](C)C)cc1 ZINC000419966102 563254321 /nfs/dbraw/zinc/25/43/21/563254321.db2.gz KTPBNYKADCXSFY-OAHLLOKOSA-N 1 0 379.551 2.829 20 0 GFADRO NC(=O)C1(N2CCN(C(=O)c3cc(Cl)sc3Cl)CC2)CCCC1 ZINC000370797207 563255349 /nfs/dbraw/zinc/25/53/49/563255349.db2.gz ZHAVABPEWNMWCF-UHFFFAOYSA-N 1 0 376.309 2.611 20 0 GFADRO [NH3+]C[C@@H]1CC[C@H](NC(=O)C(=O)N(Cc2cccs2)Cc2cccs2)C1 ZINC000420190753 563259561 /nfs/dbraw/zinc/25/95/61/563259561.db2.gz HGIYSOWGDFZBPM-KGLIPLIRSA-N 1 0 377.535 2.582 20 0 GFADRO C[C@@H](COc1ccc(Cl)c(Cl)c1)[NH2+]C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000295732814 563260312 /nfs/dbraw/zinc/26/03/12/563260312.db2.gz OINAWFVAEHZAGA-NWDGAFQWSA-N 1 0 381.325 2.632 20 0 GFADRO CN(Cc1c(Br)cnn1C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000278529741 563260348 /nfs/dbraw/zinc/26/03/48/563260348.db2.gz ZNSGBTXDQYWPOR-UHFFFAOYSA-N 1 0 392.345 2.717 20 0 GFADRO NC(=O)[C@H](c1ccc(Br)cc1F)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000420337613 563261645 /nfs/dbraw/zinc/26/16/45/563261645.db2.gz ODJKOVVLEAFMAJ-HOTGVXAUSA-N 1 0 384.293 2.579 20 0 GFADRO Cc1ccc(Br)c(S(=O)(=O)N2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000420450936 563263466 /nfs/dbraw/zinc/26/34/66/563263466.db2.gz BCBLUVSYFCKJDL-HIFRSBDPSA-N 1 0 387.343 2.910 20 0 GFADRO [NH3+]C[C@@H]1CC[C@@H](NS(=O)(=O)Cc2ccc(Cl)cc2Br)C1 ZINC000420452922 563263913 /nfs/dbraw/zinc/26/39/13/563263913.db2.gz JLHLRRGGQXMGJE-BXKDBHETSA-N 1 0 381.723 2.649 20 0 GFADRO [NH3+]C[C@@H]1CC[C@H](NS(=O)(=O)c2cc(Cl)c(Br)cc2F)C1 ZINC000420463893 563264511 /nfs/dbraw/zinc/26/45/11/563264511.db2.gz WWSPTXWFLOVHLR-SFYZADRCSA-N 1 0 385.686 2.647 20 0 GFADRO COc1cc(Br)c(S(=O)(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)cc1Cl ZINC000420461851 563264615 /nfs/dbraw/zinc/26/46/15/563264615.db2.gz UZHYPUQRLVTUMY-RKDXNWHRSA-N 1 0 397.722 2.517 20 0 GFADRO O=S(=O)(Cc1ccc(Br)cc1)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420467387 563264910 /nfs/dbraw/zinc/26/49/10/563264910.db2.gz SEUXMHNMGVQUBL-ZBFHGGJFSA-N 1 0 387.343 2.743 20 0 GFADRO C[NH2+]CCCN(C)S(=O)(=O)c1ccc(Br)c(C(F)(F)F)c1 ZINC000420468611 563264974 /nfs/dbraw/zinc/26/49/74/563264974.db2.gz GNTIGSMFPXLZBM-UHFFFAOYSA-N 1 0 389.237 2.698 20 0 GFADRO O=S(=O)(c1ccc(Br)c(F)c1)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420468268 563265148 /nfs/dbraw/zinc/26/51/48/563265148.db2.gz UCQJIPXTCIEONN-IAQYHMDHSA-N 1 0 391.306 2.741 20 0 GFADRO C[C@@H]1CCN(S(=O)(=O)c2cc(Br)sc2Cl)C[C@H]1C[NH3+] ZINC000420484732 563265829 /nfs/dbraw/zinc/26/58/29/563265829.db2.gz YNJNZSKQWDGYMO-HTQZYQBOSA-N 1 0 387.752 2.769 20 0 GFADRO C[NH+](C)CCN(Cc1ccsc1)C(=O)C(=O)NCc1ccc(Cl)cc1 ZINC000420601241 563268209 /nfs/dbraw/zinc/26/82/09/563268209.db2.gz NINOVCABTGNACB-UHFFFAOYSA-N 1 0 379.913 2.608 20 0 GFADRO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)C[N@H+](C)CCCCCO ZINC000278772545 563269912 /nfs/dbraw/zinc/26/99/12/563269912.db2.gz CNZTZDXQFUKYJG-UHFFFAOYSA-N 1 0 377.268 2.813 20 0 GFADRO O=S(=O)(N[C@H]1CC[N@@H+]2CCCC[C@H]12)c1cc(Cl)ccc1OC(F)F ZINC000420649896 563270079 /nfs/dbraw/zinc/27/00/79/563270079.db2.gz DUFNFAGOGIMOTP-NWDGAFQWSA-N 1 0 380.844 2.847 20 0 GFADRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1ccc(I)cc1F ZINC000296026260 563271391 /nfs/dbraw/zinc/27/13/91/563271391.db2.gz ZMFBQVWWPXOIMK-IINYFYTJSA-N 1 0 390.240 2.843 20 0 GFADRO COc1ccc(CN2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)cc1Br ZINC000371305736 563271462 /nfs/dbraw/zinc/27/14/62/563271462.db2.gz ZXQCVZORFYEGPP-CRAIPNDOSA-N 1 0 396.373 2.916 20 0 GFADRO O=CN1CCC([NH2+]CC2(c3cccc(Br)c3)CCOCC2)CC1 ZINC000278822600 563272366 /nfs/dbraw/zinc/27/23/66/563272366.db2.gz SOLSPRWTRUBOPH-UHFFFAOYSA-N 1 0 381.314 2.708 20 0 GFADRO C[C@]1(C2CC[NH+](Cc3cnc(-c4cccs4)s3)CC2)NC(=O)NC1=O ZINC000371328005 563272654 /nfs/dbraw/zinc/27/26/54/563272654.db2.gz QYHAKFDINYQVRZ-QGZVFWFLSA-N 1 0 376.507 2.682 20 0 GFADRO Brc1cc(CN2CCC[C@H](c3nnc[nH]3)C2)cc2c1OCCO2 ZINC000371334383 563273450 /nfs/dbraw/zinc/27/34/50/563273450.db2.gz GRDCBBNGLPHOPX-LBPRGKRZSA-N 1 0 379.258 2.718 20 0 GFADRO O=C(NC1CC[NH+](CCc2ccncc2)CC1)c1cccc(Br)n1 ZINC000371467475 563278319 /nfs/dbraw/zinc/27/83/19/563278319.db2.gz ZQUNZNDMDVKSBW-UHFFFAOYSA-N 1 0 389.297 2.676 20 0 GFADRO C[C@@H]1CN(C(=O)[C@@H]2SCCc3sccc32)CCN1C1CC[NH+](C)CC1 ZINC000371459012 563278621 /nfs/dbraw/zinc/27/86/21/563278621.db2.gz MXUJGPNDJQBGDJ-RDTXWAMCSA-N 1 0 379.595 2.705 20 0 GFADRO CC[NH+]1CCN([C@H]2CCN(C(=O)c3nc4cc(Cl)ccc4s3)C2)CC1 ZINC000296207914 563278974 /nfs/dbraw/zinc/27/89/74/563278974.db2.gz NVLMJMHIRBKQHN-AWEZNQCLSA-N 1 0 378.929 2.802 20 0 GFADRO O=S1(=O)CC[C@](O)(CN[C@H](c2ccc(F)cc2)c2ccccc2Cl)C1 ZINC000296239325 563280028 /nfs/dbraw/zinc/28/00/28/563280028.db2.gz CLTSVFOLGIJSOU-MSOLQXFVSA-N 1 0 383.872 2.708 20 0 GFADRO CC[NH+](CC)CCCNC(=O)N1CCC(n2cc(Br)cn2)CC1 ZINC000371577141 563282193 /nfs/dbraw/zinc/28/21/93/563282193.db2.gz MFBRWMHRXFJRCB-UHFFFAOYSA-N 1 0 386.338 2.724 20 0 GFADRO Cc1ccc([C@H](C[NH2+]Cc2c(Br)c(C)nn2C)N2CCOCC2)o1 ZINC000279090166 563283967 /nfs/dbraw/zinc/28/39/67/563283967.db2.gz IEUXCUDYVUJVBQ-AWEZNQCLSA-N 1 0 397.317 2.556 20 0 GFADRO C[NH+](C)[C@@]1(CNC(=O)c2c(F)ccc(Br)c2F)CCSC1 ZINC000279197503 563287146 /nfs/dbraw/zinc/28/71/46/563287146.db2.gz NQQCPQFXWPMVNA-CQSZACIVSA-N 1 0 379.270 2.894 20 0 GFADRO COC(=O)[C@@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(Br)cc1 ZINC000279286888 563290401 /nfs/dbraw/zinc/29/04/01/563290401.db2.gz XPPNSKSKDXNNSF-WHOFXGATSA-N 1 0 383.286 2.510 20 0 GFADRO CNC(=O)[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000420979436 563292241 /nfs/dbraw/zinc/29/22/41/563292241.db2.gz STFUZZLVQFHIHB-VHSXEESVSA-N 1 0 377.794 2.754 20 0 GFADRO CN(C)S(=O)(=O)N1CCC[N@H+](Cc2ccc(Cl)c3ccccc23)CC1 ZINC000420964107 563292250 /nfs/dbraw/zinc/29/22/50/563292250.db2.gz NKCYPZJTTLAGFA-UHFFFAOYSA-N 1 0 381.929 2.807 20 0 GFADRO COc1cc(C(F)(F)F)cc(S(=O)(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)c1 ZINC000296567441 563292692 /nfs/dbraw/zinc/29/26/92/563292692.db2.gz CYOCLUHZHSFPMO-GFCCVEGCSA-N 1 0 380.432 2.676 20 0 GFADRO CC[NH+]1CCC(N2CCCN([C@@H](C)c3ncc(Br)cn3)CC2)CC1 ZINC000420983313 563293097 /nfs/dbraw/zinc/29/30/97/563293097.db2.gz QLKYZQFWTDDDHN-HNNXBMFYSA-N 1 0 396.377 2.792 20 0 GFADRO CN(Cc1csc(-c2ccc(S(C)(=O)=O)cc2)n1)C[C@H]1CCC[N@@H+]1C ZINC000420996897 563293139 /nfs/dbraw/zinc/29/31/39/563293139.db2.gz GJPIUSRWRGWNNI-MRXNPFEDSA-N 1 0 379.551 2.740 20 0 GFADRO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)CN(C)C[C@@H]1CCC[N@@H+]1C ZINC000420999706 563293647 /nfs/dbraw/zinc/29/36/47/563293647.db2.gz JPAZEZTTWHBGQS-LBPRGKRZSA-N 1 0 388.295 2.745 20 0 GFADRO COC[C@]1(C)CC[N@H+](CC(=O)Nc2ccc(I)cc2)C1 ZINC000296588756 563293688 /nfs/dbraw/zinc/29/36/88/563293688.db2.gz FHSLETUBWDWXPY-OAHLLOKOSA-N 1 0 388.249 2.588 20 0 GFADRO C[C@H](Cn1cc(Br)cn1)[NH2+][C@@H]1CCN(C[C@H]2CCCO2)C[C@H]1C ZINC000372047932 563294142 /nfs/dbraw/zinc/29/41/42/563294142.db2.gz VSDDAZISFBYRGD-MUIFIZLQSA-N 1 0 385.350 2.513 20 0 GFADRO C[C@H]1NC(=O)N(CC[N@@H+]2CCCC[C@@H]2Cc2cccc(Br)c2)C1=O ZINC000421035916 563294217 /nfs/dbraw/zinc/29/42/17/563294217.db2.gz IOEALHVIPJUZNF-CZUORRHYSA-N 1 0 394.313 2.786 20 0 GFADRO COCCOC[C@H](O)C[N@@H+]1CCCC[C@H]1Cc1cccc(Br)c1 ZINC000421029417 563294554 /nfs/dbraw/zinc/29/45/54/563294554.db2.gz AUYXCHQQPSARQX-ZWKOTPCHSA-N 1 0 386.330 2.870 20 0 GFADRO O=C(Cc1cc(F)ccc1Br)NC[C@H]1CCC[C@H]1[NH+]1CCOCC1 ZINC000372111313 563295650 /nfs/dbraw/zinc/29/56/50/563295650.db2.gz QRUCTIMPTBTCTP-CXAGYDPISA-N 1 0 399.304 2.748 20 0 GFADRO O=C(Cc1cc(F)ccc1Br)NC[C@@H]1CCC[C@@H]1[NH+]1CCOCC1 ZINC000372111315 563296682 /nfs/dbraw/zinc/29/66/82/563296682.db2.gz QRUCTIMPTBTCTP-GUYCJALGSA-N 1 0 399.304 2.748 20 0 GFADRO [NH3+][C@H]1CN(S(=O)(=O)c2cnc(Cl)c(Cl)c2)C[C@@H]1c1ccc(F)cc1 ZINC000372179811 563297559 /nfs/dbraw/zinc/29/75/59/563297559.db2.gz ORICBIXGLLIVOJ-OCCSQVGLSA-N 1 0 390.267 2.643 20 0 GFADRO CCOC(=O)c1cc(C[NH2+]Cc2ccc(S(C)(=O)=O)c(Cl)c2)[nH]c1C ZINC000296698189 563297723 /nfs/dbraw/zinc/29/77/23/563297723.db2.gz HZPCEIOMDOWZAZ-UHFFFAOYSA-N 1 0 384.885 2.847 20 0 GFADRO COc1ccc(Br)c([C@H](CO)N(C)C(=O)CC2CC[NH+](C)CC2)c1 ZINC000296725820 563299023 /nfs/dbraw/zinc/29/90/23/563299023.db2.gz AORYAAJKFCXGEH-KRWDZBQOSA-N 1 0 399.329 2.681 20 0 GFADRO CC[C@H](Cc1cccc(Br)c1)C(=O)NCC[NH+]1CCC(O)CC1 ZINC000296753397 563300519 /nfs/dbraw/zinc/30/05/19/563300519.db2.gz BHAGZRNZPZDXMX-OAHLLOKOSA-N 1 0 383.330 2.591 20 0 GFADRO C[C@@H]1CN(C(=O)NCCc2ccc(Cl)s2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000372332153 563302519 /nfs/dbraw/zinc/30/25/19/563302519.db2.gz KIZXYODGFWDAQL-ZBFHGGJFSA-N 1 0 384.977 2.611 20 0 GFADRO CC[NH+]1CCN(CCCNC(=O)c2c(F)ccc(C)c2Br)CC1 ZINC000279631862 563304235 /nfs/dbraw/zinc/30/42/35/563304235.db2.gz ZCVQHGMAXUIING-UHFFFAOYSA-N 1 0 386.309 2.654 20 0 GFADRO CN(C(=O)[C@@H]1CCCN1c1ncc(C(F)(F)F)cc1Cl)[C@H]1CC[NH2+]C1 ZINC000372399282 563304545 /nfs/dbraw/zinc/30/45/45/563304545.db2.gz GSGHUYIFIPWLCH-AAEUAGOBSA-N 1 0 376.810 2.543 20 0 GFADRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)Nc1ccc(Br)c(Cl)c1 ZINC000421292132 563305794 /nfs/dbraw/zinc/30/57/94/563305794.db2.gz AHNFFTXRKVEZHZ-NSHDSACASA-N 1 0 388.693 2.594 20 0 GFADRO O=S1(=O)CCCN1[C@H]1CCCN(Cc2cccc(Br)c2F)C1 ZINC000296874050 563306425 /nfs/dbraw/zinc/30/64/25/563306425.db2.gz PPEDEDQCOQIOGX-ZDUSSCGKSA-N 1 0 391.306 2.588 20 0 GFADRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)Nc1ccc(Br)cc1Cl ZINC000421306872 563306617 /nfs/dbraw/zinc/30/66/17/563306617.db2.gz WSVLTKOWDCHPGQ-LLVKDONJSA-N 1 0 388.693 2.594 20 0 GFADRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)Nc1ccc(Cl)c(Br)c1 ZINC000421303287 563306680 /nfs/dbraw/zinc/30/66/80/563306680.db2.gz RTQHELZTMIEWEW-LLVKDONJSA-N 1 0 388.693 2.594 20 0 GFADRO C[NH+](C)[C@H]1CCCN(C(=O)c2ccc(I)cc2F)CC1 ZINC000296911816 563307544 /nfs/dbraw/zinc/30/75/44/563307544.db2.gz WGRKELHSFPTELL-LBPRGKRZSA-N 1 0 390.240 2.987 20 0 GFADRO CO[C@H](c1ccccc1)[C@@H](C)[NH2+]CC1CCN(S(=O)(=O)C(F)F)CC1 ZINC000279722486 563307541 /nfs/dbraw/zinc/30/75/41/563307541.db2.gz MMNAJIBQMJACMC-CJNGLKHVSA-N 1 0 376.469 2.617 20 0 GFADRO CC(C)[N@@H+](Cc1ccc(OC(F)(F)F)c(Br)c1)C[C@H](O)CO ZINC000421413774 563309335 /nfs/dbraw/zinc/30/93/35/563309335.db2.gz XXCOSRQFVTVSNK-NSHDSACASA-N 1 0 386.208 2.911 20 0 GFADRO CC(=O)N1CCC[C@H](C[NH2+]Cc2cn(-c3ccc(Cl)c(Cl)c3)nn2)C1 ZINC000279839174 563312280 /nfs/dbraw/zinc/31/22/80/563312280.db2.gz QXXWJDAFSJZFPT-CYBMUJFWSA-N 1 0 382.295 2.922 20 0 GFADRO C[N@@H+]1CCC[C@H](CNS(=O)(=O)Cc2ccon2)[C@@H]1c1cccc(Cl)c1 ZINC000372625618 563312405 /nfs/dbraw/zinc/31/24/05/563312405.db2.gz OBDMRWCTZLVCMK-PBHICJAKSA-N 1 0 383.901 2.831 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[N@H+](C)CCCCCO ZINC000297050226 563314161 /nfs/dbraw/zinc/31/41/61/563314161.db2.gz YJZBBSHXBGYHDQ-ZDUSSCGKSA-N 1 0 387.318 2.557 20 0 GFADRO CN(Cc1cc(Br)cs1)C(=O)C[N@@H+]1CCC[C@@](C)(O)CC1 ZINC000279926303 563315287 /nfs/dbraw/zinc/31/52/87/563315287.db2.gz FRBCLMNAOXCPEF-OAHLLOKOSA-N 1 0 375.332 2.706 20 0 GFADRO C[C@@H]([NH2+][C@H]1CCN(CCN2CCOCC2)C1)c1ccc(Br)s1 ZINC000372787269 563317361 /nfs/dbraw/zinc/31/73/61/563317361.db2.gz XGBHJTXHAKCAJC-KGLIPLIRSA-N 1 0 388.375 2.568 20 0 GFADRO Cc1c(Br)cccc1CC(=O)N1CCC[N@H+](CC(C)(C)O)CC1 ZINC000372788197 563317956 /nfs/dbraw/zinc/31/79/56/563317956.db2.gz UODQFNIKXRFKBX-UHFFFAOYSA-N 1 0 383.330 2.605 20 0 GFADRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)c1ccn(-c2cccc(Br)c2)n1 ZINC000421702059 563319646 /nfs/dbraw/zinc/31/96/46/563319646.db2.gz JCCDQPMUCVJTTD-OAHLLOKOSA-N 1 0 377.286 2.801 20 0 GFADRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)c1ccc(I)c(F)c1 ZINC000421702968 563319704 /nfs/dbraw/zinc/31/97/04/563319704.db2.gz LEIXHEIRVKHIJR-LLVKDONJSA-N 1 0 376.213 2.597 20 0 GFADRO Cn1ccc(N2CC[C@H]([NH2+]C3CC(c4cccc(Br)c4)C3)C2=O)n1 ZINC000372868090 563320211 /nfs/dbraw/zinc/32/02/11/563320211.db2.gz IZXKLYXIMHKJLB-BCLQGDPASA-N 1 0 389.297 2.824 20 0 GFADRO C[C@H](N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000280046098 563320533 /nfs/dbraw/zinc/32/05/33/563320533.db2.gz JGKSYIDRJVRUEG-VQISRLSMSA-N 1 0 392.352 2.918 20 0 GFADRO CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1([NH3+])C(=O)N1CCc2ccc(Br)cc21 ZINC000372897356 563322075 /nfs/dbraw/zinc/32/20/75/563322075.db2.gz LTGLUBZBIAHPSM-JCKWVBRZSA-N 1 0 379.298 2.871 20 0 GFADRO CC[NH+](CC)[C@H]1CCN(C(=O)c2c(C)nc3ccc(Br)cn32)C1 ZINC000280108186 563322420 /nfs/dbraw/zinc/32/24/20/563322420.db2.gz LCZQCHASNAHGDI-AWEZNQCLSA-N 1 0 379.302 2.962 20 0 GFADRO C[C@@H](CO[C@@H]1CCOC1)NC(=O)C1CC[NH+](Cc2ccc(Cl)s2)CC1 ZINC000372972580 563324249 /nfs/dbraw/zinc/32/42/49/563324249.db2.gz CNTJTRUMSAOSRQ-DZGCQCFKSA-N 1 0 386.945 2.924 20 0 GFADRO C[C@H](Cn1cccn1)[NH2+][C@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000280140282 563324397 /nfs/dbraw/zinc/32/43/97/563324397.db2.gz PQNQPVWZOLJVAQ-NXEZZACHSA-N 1 0 377.297 2.577 20 0 GFADRO C[NH+](C)CCn1nccc1NC(=O)NCc1cc(F)cc(Br)c1 ZINC000297355353 563324415 /nfs/dbraw/zinc/32/44/15/563324415.db2.gz KJTYWPKSLQHWOU-UHFFFAOYSA-N 1 0 384.253 2.668 20 0 GFADRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)Nc1nc2cc(Br)ccn2n1 ZINC000297379745 563325695 /nfs/dbraw/zinc/32/56/95/563325695.db2.gz VOCWAFIOEOCMFQ-DGCLKSJQSA-N 1 0 393.289 2.582 20 0 GFADRO CC[NH+]1CCC(N(C(=O)c2cc(Br)c(C)n(C)c2=O)C2CC2)CC1 ZINC000373015785 563325847 /nfs/dbraw/zinc/32/58/47/563325847.db2.gz STAZPCPKRAANTK-UHFFFAOYSA-N 1 0 396.329 2.545 20 0 GFADRO CC[NH+]1CCC(N2CCCN(C(=O)c3oc(Br)cc3C)CC2)CC1 ZINC000422003469 563327449 /nfs/dbraw/zinc/32/74/49/563327449.db2.gz DCAWMFIVFCSLGZ-UHFFFAOYSA-N 1 0 398.345 2.983 20 0 GFADRO [NH3+]C[C@@H](NC(=O)[C@H]1CCCN1c1ncc(C(F)(F)F)cc1Cl)C1CC1 ZINC000373089248 563328434 /nfs/dbraw/zinc/32/84/34/563328434.db2.gz VJEFIDPNMXSZFU-CHWSQXEVSA-N 1 0 376.810 2.576 20 0 GFADRO C[C@H]1OCC[C@@]12C[N@H+](CCC(=O)Nc1ccccc1Br)CCO2 ZINC000280248537 563329033 /nfs/dbraw/zinc/32/90/33/563329033.db2.gz BVIJTCCVJVLVBI-CXAGYDPISA-N 1 0 383.286 2.658 20 0 GFADRO CN1CCC2(CC[NH+](C[C@H](O)COc3cc(Cl)ccc3Cl)CC2)C1=O ZINC000373171926 563330699 /nfs/dbraw/zinc/33/06/99/563330699.db2.gz DRWMKXHXQWRCMU-AWEZNQCLSA-N 1 0 387.307 2.677 20 0 GFADRO COC(=O)c1cc(Br)ccc1NC(=O)N1CC[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000373181340 563331419 /nfs/dbraw/zinc/33/14/19/563331419.db2.gz ZVQDBKOTIQVXPM-XHDPSFHLSA-N 1 0 396.285 2.794 20 0 GFADRO C[NH+]1CCC(n2ccc(NC(=O)Nc3ccccc3Br)n2)CC1 ZINC000373306698 563334718 /nfs/dbraw/zinc/33/47/18/563334718.db2.gz SSTGTZTUSGEZJO-UHFFFAOYSA-N 1 0 378.274 3.556 20 0 GFADRO C[C@H](Cc1ccccc1C(F)(F)F)[NH2+]CC1CCN(S(C)(=O)=O)CC1 ZINC000280445778 563337910 /nfs/dbraw/zinc/33/79/10/563337910.db2.gz DBLQZFYYKKSKRW-CYBMUJFWSA-N 1 0 378.460 2.898 20 0 GFADRO Cc1nn(C)c(Cl)c1C(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000373481306 563339440 /nfs/dbraw/zinc/33/94/40/563339440.db2.gz PLICADDCUDUILV-UHFFFAOYSA-N 1 0 378.826 2.917 20 0 GFADRO CCS(=O)(=O)c1ccc(CNC(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)s1 ZINC000280494172 563339855 /nfs/dbraw/zinc/33/98/55/563339855.db2.gz VXFFNPZINYWEDP-CQSZACIVSA-N 1 0 387.571 2.558 20 0 GFADRO C[C@H](N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000373560065 563342474 /nfs/dbraw/zinc/34/24/74/563342474.db2.gz HNVPJBLVVMEWDZ-TUAOUCFPSA-N 1 0 392.352 2.918 20 0 GFADRO C[C@@H]1C[C@@H](C)N(S(=O)(=O)c2cc(Cl)ccc2OC(F)F)C[C@@H]1C[NH3+] ZINC000422555419 563342662 /nfs/dbraw/zinc/34/26/62/563342662.db2.gz PSDLTNQFWUVTMW-MXWKQRLJSA-N 1 0 382.860 2.935 20 0 GFADRO Cc1sc(Br)nc1C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000298037924 563342995 /nfs/dbraw/zinc/34/29/95/563342995.db2.gz FHALWBXCJOWSBD-UHFFFAOYSA-N 1 0 388.331 2.589 20 0 GFADRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)N(C)Cc1ccc(Cl)c(Cl)c1 ZINC000298062870 563343506 /nfs/dbraw/zinc/34/35/06/563343506.db2.gz RPARGHBZKSICDK-LRDDRELGSA-N 1 0 386.323 2.750 20 0 GFADRO C[C@H](Cc1ccc(Br)cc1)[NH2+]C[C@@H]1CCC[C@@]12NC(=O)N(C)C2=O ZINC000373615411 563343877 /nfs/dbraw/zinc/34/38/77/563343877.db2.gz JFVWGYCZBZWSCF-UVBSCNOISA-N 1 0 394.313 2.690 20 0 GFADRO CC(C)(CC[NH3+])NC(=O)NCc1c(Br)cncc1Br ZINC000422615684 563344679 /nfs/dbraw/zinc/34/46/79/563344679.db2.gz HCLWFSYSAPBMGF-UHFFFAOYSA-N 1 0 394.111 2.533 20 0 GFADRO COCC[NH2+]CCNC(=O)N1CCCC[C@@H]1Cc1cccc(Br)c1 ZINC000422606394 563344699 /nfs/dbraw/zinc/34/46/99/563344699.db2.gz IOGKSMCJYMLXCT-QGZVFWFLSA-N 1 0 398.345 2.792 20 0 GFADRO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)[C@@H]1CCN(CC(F)(F)F)C1 ZINC000280589063 563345193 /nfs/dbraw/zinc/34/51/93/563345193.db2.gz DTCNILKQNIPZQK-ZIAGYGMSSA-N 1 0 375.460 2.885 20 0 GFADRO Cc1onc(-c2cccc(Cl)c2Cl)c1C(=O)NC[C@](C)(O)C[NH+](C)C ZINC000280659539 563348351 /nfs/dbraw/zinc/34/83/51/563348351.db2.gz FKZAALLIMSTHAW-KRWDZBQOSA-N 1 0 386.279 2.999 20 0 GFADRO C[C@@H]([NH2+]CCCNC(=O)c1ccc(Br)cc1)c1cnccc1N ZINC000422879194 563349624 /nfs/dbraw/zinc/34/96/24/563349624.db2.gz LQZMHGYIBLWDRI-GFCCVEGCSA-N 1 0 377.286 2.727 20 0 GFADRO C[C@H](C[C@H]1COCCN1)[NH2+]C[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000422895753 563349761 /nfs/dbraw/zinc/34/97/61/563349761.db2.gz GMSUMHWZDHJILP-INMHGKMJSA-N 1 0 382.346 2.632 20 0 GFADRO CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)CC1(C[NH3+])CC1 ZINC000422926483 563350686 /nfs/dbraw/zinc/35/06/86/563350686.db2.gz DFOCQAZGZBOICD-UHFFFAOYSA-N 1 0 377.794 2.885 20 0 GFADRO C[C@@H](NCc1ccc(Br)cc1N1CCOCC1)[C@H]1CCCC[NH2+]1 ZINC000422994021 563352250 /nfs/dbraw/zinc/35/22/50/563352250.db2.gz UOCVBPVLOSULLY-RHSMWYFYSA-N 1 0 382.346 2.906 20 0 GFADRO CN(Cc1cccc(Br)c1)C(=O)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000423002322 563352268 /nfs/dbraw/zinc/35/22/68/563352268.db2.gz FTPOPQBXPCMSFO-MRXNPFEDSA-N 1 0 377.286 2.842 20 0 GFADRO C[C@H](NCc1ccc(Br)cc1N1CCOCC1)[C@H]1CCCC[NH2+]1 ZINC000422994022 563352720 /nfs/dbraw/zinc/35/27/20/563352720.db2.gz UOCVBPVLOSULLY-WMLDXEAASA-N 1 0 382.346 2.906 20 0 GFADRO COc1ccc(Br)c(CNC(=O)c2cnn([C@H]3CCC[NH2+]C3)c2)c1 ZINC000423040487 563353154 /nfs/dbraw/zinc/35/31/54/563353154.db2.gz UHKXEORIQYEIPY-AWEZNQCLSA-N 1 0 393.285 2.509 20 0 GFADRO CCS(=O)(=O)CCCCC[NH2+][C@H](c1ccc(C)cc1)[C@@H](C)S(C)(=O)=O ZINC000280781598 563353984 /nfs/dbraw/zinc/35/39/84/563353984.db2.gz IJLDFTXWUQBVBX-AEFFLSMTSA-N 1 0 389.583 2.664 20 0 GFADRO [NH3+]CCCCn1cc(C(=O)NC2(c3ccc(Br)cc3)CCC2)nn1 ZINC000423050153 563354099 /nfs/dbraw/zinc/35/40/99/563354099.db2.gz KZGRFYQECYUBEX-UHFFFAOYSA-N 1 0 392.301 2.589 20 0 GFADRO Cc1cc(Cl)ccc1S(=O)(=O)NCCN[C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000423099417 563355263 /nfs/dbraw/zinc/35/52/63/563355263.db2.gz AIUNPHUJYXJVMG-IRXDYDNUSA-N 1 0 379.913 2.661 20 0 GFADRO COc1ccc([C@H](NCCn2cc(Br)cn2)[C@H]2CCC[NH2+]2)cc1 ZINC000423104168 563355513 /nfs/dbraw/zinc/35/55/13/563355513.db2.gz GUKOXDWELPELSX-SJORKVTESA-N 1 0 379.302 2.737 20 0 GFADRO COc1cc(Br)c(CNC(=O)[C@@H]2[NH2+]CCCC2(C)C)cc1OC ZINC000423151141 563357148 /nfs/dbraw/zinc/35/71/48/563357148.db2.gz ZZJAALDDLIEACW-HNNXBMFYSA-N 1 0 385.302 2.861 20 0 GFADRO CCOC(=O)[C@H]1NCC[C@H]1[NH2+]CC1(c2ccccc2Br)CCC1 ZINC000423138323 563357229 /nfs/dbraw/zinc/35/72/29/563357229.db2.gz XTBHJUKZYPXMLB-CVEARBPZSA-N 1 0 381.314 2.754 20 0 GFADRO COc1ccc(Br)cc1C[C@H](CO)C[NH2+][C@@H](C)c1cnccc1N ZINC000423163417 563357581 /nfs/dbraw/zinc/35/75/81/563357581.db2.gz RDDSFOQHFQRKGR-STQMWFEESA-N 1 0 394.313 2.767 20 0 GFADRO C[C@H](C(=O)NCc1ccccc1)[NH+]1CCC(n2cc(Br)cn2)CC1 ZINC000374011317 563358372 /nfs/dbraw/zinc/35/83/72/563358372.db2.gz HUFLJYVKSIDDEX-CQSZACIVSA-N 1 0 391.313 2.987 20 0 GFADRO CC1CC[NH+](CCN2CCC(O)(c3scnc3Br)CC2)CC1 ZINC000374043550 563359050 /nfs/dbraw/zinc/35/90/50/563359050.db2.gz YPCJJVLKDQWIJA-UHFFFAOYSA-N 1 0 388.375 2.921 20 0 GFADRO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)CN1CCCC[C@@H](CO)C1 ZINC000374039228 563359190 /nfs/dbraw/zinc/35/91/90/563359190.db2.gz PSMAYCGDRWFHIO-LLVKDONJSA-N 1 0 389.279 2.813 20 0 GFADRO CC(C)[C@H](C(=O)N1CCN(C(=O)c2cc3sccc3s2)CC1)[C@@H](C)[NH3+] ZINC000423292488 563359383 /nfs/dbraw/zinc/35/93/83/563359383.db2.gz NEPUYPACYGKCQU-WBMJQRKESA-N 1 0 379.551 2.867 20 0 GFADRO CC[C@H](NC[C@H]([NH3+])c1ccccc1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000423246781 563359565 /nfs/dbraw/zinc/35/95/65/563359565.db2.gz PZOGBLNUOOEONI-IRXDYDNUSA-N 1 0 381.929 2.989 20 0 GFADRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)C1(c2cccc(Br)c2)CC(=O)C1 ZINC000280906857 563360428 /nfs/dbraw/zinc/36/04/28/563360428.db2.gz IDJKNZNEGHEGTL-ZDUSSCGKSA-N 1 0 391.309 2.650 20 0 GFADRO NC(=O)c1cnn2c1C[C@@H](C[NH2+][C@@H]1CCc3cc(Br)ccc31)CC2 ZINC000280913854 563361130 /nfs/dbraw/zinc/36/11/30/563361130.db2.gz GSNYEQALFMYIFE-MEDUHNTESA-N 1 0 389.297 2.584 20 0 GFADRO C[C@H](NC[C@H]1C[NH2+]CCN1C)c1ccc(Br)cc1Br ZINC000423482242 563361171 /nfs/dbraw/zinc/36/11/71/563361171.db2.gz RHJVCLSDZLUMTC-CMPLNLGQSA-N 1 0 391.151 2.766 20 0 GFADRO [NH3+][C@H]1C[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1ccc(Cl)cc1Br ZINC000374088266 563361299 /nfs/dbraw/zinc/36/12/99/563361299.db2.gz IGAYSEAEFAGRRA-JGPRNRPPSA-N 1 0 379.707 2.745 20 0 GFADRO C[NH+]1CCN(c2ccc(CNC(=O)c3sccc3Br)cn2)CC1 ZINC000298582414 563361450 /nfs/dbraw/zinc/36/14/50/563361450.db2.gz PLQNQAQRWVQLIE-UHFFFAOYSA-N 1 0 395.326 2.587 20 0 GFADRO CCc1ccccc1[C@@H](N)C[NH2+][C@H](C)Cn1cc(Br)ccc1=O ZINC000423508408 563361507 /nfs/dbraw/zinc/36/15/07/563361507.db2.gz QRKKCESQMXLJPE-DYVFJYSZSA-N 1 0 378.314 2.851 20 0 GFADRO CCc1ccccc1[C@H](N)C[NH2+][C@H](C)Cn1cc(Br)ccc1=O ZINC000423508389 563361533 /nfs/dbraw/zinc/36/15/33/563361533.db2.gz QRKKCESQMXLJPE-CXAGYDPISA-N 1 0 378.314 2.851 20 0 GFADRO C[NH2+]C[C@H]1CCN(C(=O)C(=O)N2CCc3cc(Cl)c(Cl)cc3[C@H]2C)C1 ZINC000423569634 563362063 /nfs/dbraw/zinc/36/20/63/563362063.db2.gz YKDNPWCQQSHRPW-VXGBXAGGSA-N 1 0 384.307 2.507 20 0 GFADRO O=C(Nc1ccc(Cl)cc1C(F)(F)F)C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000423573043 563362163 /nfs/dbraw/zinc/36/21/63/563362163.db2.gz YGIZMQJQUQHAQV-UHFFFAOYSA-N 1 0 375.778 2.652 20 0 GFADRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)c1ccsc1NC(=O)c1ccc(Cl)cc1[O-] ZINC000423691411 563362911 /nfs/dbraw/zinc/36/29/11/563362911.db2.gz ZHINWKYRONYDCW-ZANVPECISA-N 1 0 379.869 2.921 20 0 GFADRO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)c1cccn1-c1ccc(I)cc1 ZINC000423684078 563362938 /nfs/dbraw/zinc/36/29/38/563362938.db2.gz ULNMMJBZIRVCLB-RISCZKNCSA-N 1 0 395.244 2.644 20 0 GFADRO Cc1cccc(I)c1C(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000423739032 563363402 /nfs/dbraw/zinc/36/34/02/563363402.db2.gz HQIZKGHWZWCHEX-VIFPVBQESA-N 1 0 386.155 2.609 20 0 GFADRO CC1(C)CN(C(=O)C2(c3ccc(Br)cc3)CCOCC2)CC[NH2+]1 ZINC000423708632 563363510 /nfs/dbraw/zinc/36/35/10/563363510.db2.gz MXAJTOVXLWIWGN-UHFFFAOYSA-N 1 0 381.314 2.708 20 0 GFADRO CN(Cc1ccc(Cl)s1)C(=O)C(=O)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1 ZINC000423728369 563363529 /nfs/dbraw/zinc/36/35/29/563363529.db2.gz LVHALTBIHRFROQ-DZGCQCFKSA-N 1 0 383.945 2.741 20 0 GFADRO C[C@H](CN(C)C(=O)COC1CC[NH2+]CC1)Oc1ccc(Cl)c(Cl)c1 ZINC000423808775 563363542 /nfs/dbraw/zinc/36/35/42/563363542.db2.gz IYGYUPKQKKKZDU-GFCCVEGCSA-N 1 0 375.296 2.988 20 0 GFADRO C[C@@H]1CN(C(=O)C(=O)N2CCC(c3ccc(Cl)cc3Cl)CC2)C[C@@H]1[NH3+] ZINC000423733149 563363579 /nfs/dbraw/zinc/36/35/79/563363579.db2.gz BJPZEQUOUVZGTR-BZNIZROVSA-N 1 0 384.307 2.505 20 0 GFADRO Cc1sc(Br)nc1C(=O)N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC000298701690 563364176 /nfs/dbraw/zinc/36/41/76/563364176.db2.gz ACCURTNLLOMPPG-SNVBAGLBSA-N 1 0 388.331 2.539 20 0 GFADRO C[C@@H]1CN(C(=O)C2CCN(C(=O)c3ccc(Cl)s3)CC2)C[C@@]1(C)C[NH3+] ZINC000423982441 563366162 /nfs/dbraw/zinc/36/61/62/563366162.db2.gz JCIOFTYFHODBAV-KZULUSFZSA-N 1 0 383.945 2.697 20 0 GFADRO C[C@@H]1CN(C(=O)C2(c3ccc(Br)cc3)CCOCC2)C[C@@]1(C)C[NH3+] ZINC000423985641 563366228 /nfs/dbraw/zinc/36/62/28/563366228.db2.gz RSFRINOXZBKLFP-RDTXWAMCSA-N 1 0 395.341 2.941 20 0 GFADRO O=C([C@@H]1COc2ccc(Br)cc21)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000423981481 563366642 /nfs/dbraw/zinc/36/66/42/563366642.db2.gz TVDBCCDDAZLRLI-APHBMKBZSA-N 1 0 379.298 2.916 20 0 GFADRO C[C@H]1CN(C(=O)Cc2ccc(Br)cc2)CCN1C1CC[NH+](C)CC1 ZINC000374266884 563366784 /nfs/dbraw/zinc/36/67/84/563366784.db2.gz AMMKVFIYGQTHTP-HNNXBMFYSA-N 1 0 394.357 2.619 20 0 GFADRO Cc1csc(C(=O)N2CC[C@@H](C)[C@@H](C[NH3+])C2)c1I ZINC000423999996 563367133 /nfs/dbraw/zinc/36/71/33/563367133.db2.gz NRVCNVFINSGRBY-SCZZXKLOSA-N 1 0 378.279 2.718 20 0 GFADRO CCOc1c(Br)cc(C(=O)N2CC[C@@H](C)[C@H](C[NH3+])C2)cc1OC ZINC000424016022 563367237 /nfs/dbraw/zinc/36/72/37/563367237.db2.gz NMHXOFJFYDCPBE-DGCLKSJQSA-N 1 0 385.302 2.913 20 0 GFADRO C[C@H]1CCN(C(=O)c2nn(-c3ccc(F)cc3)cc2Br)C[C@H]1C[NH3+] ZINC000424012851 563367240 /nfs/dbraw/zinc/36/72/40/563367240.db2.gz KBBUBZKVIXEQEV-NWDGAFQWSA-N 1 0 395.276 2.831 20 0 GFADRO Cc1cc(C(=O)N2CCC[C@H](n3cc(C[NH3+])nn3)C2)c(C)cc1Br ZINC000424008825 563367320 /nfs/dbraw/zinc/36/73/20/563367320.db2.gz XCKFMQOMETZWTC-AWEZNQCLSA-N 1 0 392.301 2.593 20 0 GFADRO CS[C@H]1CN(C(=O)c2nc(Br)sc2C)C[C@H]1[NH+]1CCCC1 ZINC000298829773 563367342 /nfs/dbraw/zinc/36/73/42/563367342.db2.gz CFJMRVILNSAUCW-MNOVXSKESA-N 1 0 390.372 2.866 20 0 GFADRO Nc1c(Cl)cc(NC(=O)C(=O)NCCCCC[NH+]2CCCC2)cc1Cl ZINC000298815652 563367435 /nfs/dbraw/zinc/36/74/35/563367435.db2.gz AZYUDMBSNMHNTA-UHFFFAOYSA-N 1 0 387.311 2.896 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)COc2ccc3cc(Br)ccc3c2)CCCO1 ZINC000424028351 563367783 /nfs/dbraw/zinc/36/77/83/563367783.db2.gz WYVYERNPMIPLKQ-QGZVFWFLSA-N 1 0 393.281 2.557 20 0 GFADRO C[C@@H]1C[C@@H](C)N(C(=O)Cc2cccc(I)c2)C[C@H]1C[NH3+] ZINC000424055226 563368604 /nfs/dbraw/zinc/36/86/04/563368604.db2.gz RAIHOJXXRZOBNE-YRGRVCCFSA-N 1 0 386.277 2.666 20 0 GFADRO C[C@@H]([NH2+]C[C@H]1CCn2ncc(C(N)=O)c2C1)c1ccc(F)c(Br)c1 ZINC000281205853 563369821 /nfs/dbraw/zinc/36/98/21/563369821.db2.gz SIDYVVPCMMOSIP-MNOVXSKESA-N 1 0 395.276 2.797 20 0 GFADRO C[N@H+]1CC=C(CNC(=O)N[C@@H]2CCOc3c(Br)cccc32)CC1 ZINC000374395104 563371338 /nfs/dbraw/zinc/37/13/38/563371338.db2.gz KRICKGXKVZTNMR-OAHLLOKOSA-N 1 0 380.286 2.834 20 0 GFADRO Cc1cc(NC(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)cc(C)c1Br ZINC000424171985 563372722 /nfs/dbraw/zinc/37/27/22/563372722.db2.gz MQWSSNLSDQQFLE-CYBMUJFWSA-N 1 0 378.274 2.834 20 0 GFADRO C[NH+]1CCC(C)(CNC(=O)C(=O)Nc2cc(Cl)c(Cl)cc2F)CC1 ZINC000281317525 563373378 /nfs/dbraw/zinc/37/33/78/563373378.db2.gz AQIYBEXOYABHOB-UHFFFAOYSA-N 1 0 376.259 2.919 20 0 GFADRO C[C@@H](CNC(=O)c1ccc(SC(F)(F)F)cc1)C[NH+]1CCN(C)CC1 ZINC000299041045 563373594 /nfs/dbraw/zinc/37/35/94/563373594.db2.gz QWLJOVNSBDWLHI-ZDUSSCGKSA-N 1 0 375.460 2.912 20 0 GFADRO O=C1OCC[C@H]1CC[NH+]1CCN(Cc2cc(Br)ccc2F)CC1 ZINC000281334573 563373749 /nfs/dbraw/zinc/37/37/49/563373749.db2.gz JQHYVMLSRXWPKU-CYBMUJFWSA-N 1 0 385.277 2.659 20 0 GFADRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2S(=O)(=O)c2cc3c(cc2Cl)CCC3=O)C1 ZINC000374578741 563376395 /nfs/dbraw/zinc/37/63/95/563376395.db2.gz JWDGIXRSPRZMPQ-CZUORRHYSA-N 1 0 382.913 2.574 20 0 GFADRO Cc1cc(S(=O)(=O)N2CC3(C[C@H]2C)CC[NH2+]CC3)sc1Br ZINC000424390298 563378120 /nfs/dbraw/zinc/37/81/20/563378120.db2.gz JYXBMYILCRMWOQ-LLVKDONJSA-N 1 0 393.372 2.972 20 0 GFADRO Cc1cc(Br)cn2c(C[NH2+][C@H]3CCO[C@]4(CCOC4)C3)cnc12 ZINC000374626608 563378133 /nfs/dbraw/zinc/37/81/33/563378133.db2.gz AUKVGWYAJVTGPT-WMLDXEAASA-N 1 0 380.286 2.833 20 0 GFADRO Cc1cc(Br)c(S(=O)(=O)N2CC3(C[C@H]2C)CC[NH2+]CC3)s1 ZINC000424389354 563378240 /nfs/dbraw/zinc/37/82/40/563378240.db2.gz HYTAYWDXZZJVHI-SNVBAGLBSA-N 1 0 393.372 2.972 20 0 GFADRO C[C@@H](C(=O)Nc1nccs1)N1CCC(Cn2cc(Br)cn2)CC1 ZINC000374643830 563378664 /nfs/dbraw/zinc/37/86/64/563378664.db2.gz GEROOTSWWARLHP-NSHDSACASA-N 1 0 398.330 2.841 20 0 GFADRO [NH3+][C@@H]1CCCC[C@H]1NC(=O)Nc1ccc(F)cc1I ZINC000424420104 563379012 /nfs/dbraw/zinc/37/90/12/563379012.db2.gz UOAMHOIDBWKIOV-ZYHUDNBSSA-N 1 0 377.201 2.822 20 0 GFADRO CN(C(=O)NCc1cc(Cl)cc(I)c1)C1CC([NH3+])C1 ZINC000424463976 563379281 /nfs/dbraw/zinc/37/92/81/563379281.db2.gz HHOCIRJFIUIKSF-UHFFFAOYSA-N 1 0 393.656 2.576 20 0 GFADRO O=C(Nc1ncc(C(F)(F)F)s1)N1CCCC[C@@H]1CN1CCOCC1 ZINC000374670800 563379296 /nfs/dbraw/zinc/37/92/96/563379296.db2.gz KHPMCJVGABEMAC-LLVKDONJSA-N 1 0 378.420 2.881 20 0 GFADRO Cc1cc(C[NH3+])cc(NC(=O)C(=O)N(C)Cc2csc(Br)c2)c1 ZINC000424451310 563379556 /nfs/dbraw/zinc/37/95/56/563379556.db2.gz HCUFAFHDYJBEBP-UHFFFAOYSA-N 1 0 396.310 2.875 20 0 GFADRO C[C@@H]1C[N@@H+](C2CCN(C(=O)Nc3ncc(C(F)(F)F)s3)CC2)CCO1 ZINC000374686124 563380161 /nfs/dbraw/zinc/38/01/61/563380161.db2.gz LOJVAKSLBAUPFP-SNVBAGLBSA-N 1 0 378.420 2.879 20 0 GFADRO CCN1CC[C@@H]([NH2+]CC(=O)NCC(F)(F)F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000374826197 563383435 /nfs/dbraw/zinc/38/34/35/563383435.db2.gz FHOLVDGLMUAJJD-HIFRSBDPSA-N 1 0 381.801 2.883 20 0 GFADRO Cc1nc(-c2cccs2)sc1C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000281703525 563384579 /nfs/dbraw/zinc/38/45/79/563384579.db2.gz HBMGODWPOMFFNE-UHFFFAOYSA-N 1 0 378.567 2.936 20 0 GFADRO C[N@@H+]1CCN(CCNC(=O)c2[nH]c3ccccc3c2Br)CC1(C)C ZINC000281724951 563385299 /nfs/dbraw/zinc/38/52/99/563385299.db2.gz IUOYVFOLTCABMJ-UHFFFAOYSA-N 1 0 393.329 2.686 20 0 GFADRO Cc1csc([C@](O)(CC(=O)N(C)CCC[NH+]2CCCC2)C(F)(F)F)n1 ZINC000281729711 563385928 /nfs/dbraw/zinc/38/59/28/563385928.db2.gz NXUPMCOCHMIKOG-OAHLLOKOSA-N 1 0 379.448 2.536 20 0 GFADRO CN(C(=O)Cc1noc2ccc(Br)cc21)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000424658361 563385933 /nfs/dbraw/zinc/38/59/33/563385933.db2.gz DXQLZMXRYSMRSW-ZDUSSCGKSA-N 1 0 378.270 2.828 20 0 GFADRO O=S(=O)(NCc1cnc2n1CCCC2)c1ccc(Br)cc1F ZINC000375105794 563390439 /nfs/dbraw/zinc/39/04/39/563390439.db2.gz OFOLCIZZEWGBSG-UHFFFAOYSA-N 1 0 388.262 2.600 20 0 GFADRO CC[C@@H]1C[N@H+](C)CCCN1S(=O)(=O)c1ccc(C)cc1Br ZINC000300526710 563391889 /nfs/dbraw/zinc/39/18/89/563391889.db2.gz AHRCUUNMGNKAPG-CYBMUJFWSA-N 1 0 375.332 2.862 20 0 GFADRO O=C(N[C@@H]1CCOc2c(Br)cccc21)N1CC[NH+]2CCC1CC2 ZINC000375164193 563392889 /nfs/dbraw/zinc/39/28/89/563392889.db2.gz DJBUUKCXEGSPSV-OAHLLOKOSA-N 1 0 380.286 2.762 20 0 GFADRO CC[N@@H+]1CC[C@H](CNC(=O)C2(c3ccc(I)cc3)CC2)C1 ZINC000282018288 563394530 /nfs/dbraw/zinc/39/45/30/563394530.db2.gz KDGNYIMSIFZLKI-CYBMUJFWSA-N 1 0 398.288 2.781 20 0 GFADRO Cn1nc(Br)c2c1ncnc2Nc1ccc(CC[NH+](C)C)cc1 ZINC000301210303 563396618 /nfs/dbraw/zinc/39/66/18/563396618.db2.gz WCSLGAYSGPVXND-UHFFFAOYSA-N 1 0 375.274 2.974 20 0 GFADRO [NH3+][C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1 ZINC000375253775 563397716 /nfs/dbraw/zinc/39/77/16/563397716.db2.gz VMGCMAKMVVWLIU-HPEDKQMDSA-N 1 0 382.291 2.827 20 0 GFADRO CN(C(=O)Nc1ccsc1Cl)C1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000375345970 563400553 /nfs/dbraw/zinc/40/05/53/563400553.db2.gz UDYOHPARPHYVEY-UHFFFAOYSA-N 1 0 384.933 2.952 20 0 GFADRO COCC(C)(C)[NH+]1CCN(C(=O)CCc2cccc(Br)c2)CC1 ZINC000424996425 563400854 /nfs/dbraw/zinc/40/08/54/563400854.db2.gz DIUFYEWAYAXQGU-UHFFFAOYSA-N 1 0 383.330 2.951 20 0 GFADRO Cc1[nH+]c2ccc(Br)cc2c(N2CCN(S(C)(=O)=O)CC2)c1C ZINC000301371086 563401680 /nfs/dbraw/zinc/40/16/80/563401680.db2.gz SPAOXBWTWDSCHD-UHFFFAOYSA-N 1 0 398.326 2.696 20 0 GFADRO Cc1cccc(C(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)c1I ZINC000425048309 563402613 /nfs/dbraw/zinc/40/26/13/563402613.db2.gz BJXPTADFCODFGM-GXTWGEPZSA-N 1 0 384.261 2.766 20 0 GFADRO Cc1ccc(I)c(C(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)c1 ZINC000425060180 563402883 /nfs/dbraw/zinc/40/28/83/563402883.db2.gz UVCZIECJDNKHNM-SWLSCSKDSA-N 1 0 384.261 2.766 20 0 GFADRO CN(C)C(=O)N1CCC([NH2+][C@H]2COc3cc(F)c(Br)cc32)CC1 ZINC000282246670 563404027 /nfs/dbraw/zinc/40/40/27/563404027.db2.gz AXBAOPUZTMZTMX-AWEZNQCLSA-N 1 0 386.265 2.757 20 0 GFADRO C[C@]1(O)CCOC[C@H]1[C@@H]1CCC[N@@H+]1Cc1cnc2ccc(Br)cn12 ZINC000375413819 563404073 /nfs/dbraw/zinc/40/40/73/563404073.db2.gz XOAVLTGMMWODRQ-BQFCYCMXSA-N 1 0 394.313 2.849 20 0 GFADRO Cc1n[nH]cc1C(=O)Nc1cc(Br)ccc1N(C)CC[NH+](C)C ZINC000425100695 563404793 /nfs/dbraw/zinc/40/47/93/563404793.db2.gz VVTIYJPCKXFOCZ-UHFFFAOYSA-N 1 0 380.290 2.731 20 0 GFADRO Brc1cccc(-c2noc([C@H]3CCCN3CCn3cncn3)n2)c1 ZINC000375466902 563406326 /nfs/dbraw/zinc/40/63/26/563406326.db2.gz GXPBKIIAXFASAS-CQSZACIVSA-N 1 0 389.257 2.928 20 0 GFADRO COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@@H](C)[N@@H+]2C[C@@H](O)c2ccc(Br)cc2)O1 ZINC000282419709 563410531 /nfs/dbraw/zinc/41/05/31/563410531.db2.gz JGIDSQFGQRYSPT-IDAWXYBZSA-N 1 0 398.297 2.666 20 0 GFADRO Cn1nc(Br)c2c1ncnc2N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000301848575 563413838 /nfs/dbraw/zinc/41/38/38/563413838.db2.gz VNBFPAHDILOEQS-JSGCOSHPSA-N 1 0 387.285 2.983 20 0 GFADRO CCOc1ccc(C[NH2+]C[C@H]2CCN(S(=O)(=O)c3cccs3)C2)cc1 ZINC000375747081 563416838 /nfs/dbraw/zinc/41/68/38/563416838.db2.gz UBOIEPFTUHXODW-MRXNPFEDSA-N 1 0 380.535 2.947 20 0 GFADRO Cc1nc(NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)ccc1Br ZINC000301981422 563417623 /nfs/dbraw/zinc/41/76/23/563417623.db2.gz HDTVFQYWAKLARA-MRXNPFEDSA-N 1 0 376.298 2.984 20 0 GFADRO C[C@@H](CNc1ccc(S(N)(=O)=O)c(C(F)(F)F)c1)C[NH+]1CCCCC1 ZINC000301974193 563417694 /nfs/dbraw/zinc/41/76/94/563417694.db2.gz BMNWKJRPUCLLME-LBPRGKRZSA-N 1 0 379.448 2.887 20 0 GFADRO COc1cc(Br)ccc1CCCN1C[C@@H]2CCS(=O)(=O)[C@@H]2C1 ZINC000375785003 563418211 /nfs/dbraw/zinc/41/82/11/563418211.db2.gz AFRFAAFKIYFQFI-XJKSGUPXSA-N 1 0 388.327 2.509 20 0 GFADRO COc1ccc(C[NH2+][C@H]2CCN(C3CC[NH+](C)CC3)C2)c(Br)c1 ZINC000375783374 563418661 /nfs/dbraw/zinc/41/86/61/563418661.db2.gz CYMQBFRLMCUEEI-HNNXBMFYSA-N 1 0 382.346 2.716 20 0 GFADRO C[NH+](C)[C@@H]1CCCN(S(=O)(=O)c2cc(Br)cnc2Cl)CC1 ZINC000375946689 563424780 /nfs/dbraw/zinc/42/47/80/563424780.db2.gz JXCBYEMKZWGITF-LLVKDONJSA-N 1 0 396.738 2.602 20 0 GFADRO OCCOC1(C[NH2+][C@H]2CCCc3ccc(Br)cc32)CCOCC1 ZINC000282838216 563426441 /nfs/dbraw/zinc/42/64/41/563426441.db2.gz SQBIQCAQXFFTPD-KRWDZBQOSA-N 1 0 384.314 2.974 20 0 GFADRO O=S(=O)(c1ccc(OC(F)F)c(F)c1)N1CCCC2(CC[NH2+]CC2)C1 ZINC000376065850 563428599 /nfs/dbraw/zinc/42/85/99/563428599.db2.gz ICPOHGRMVLIVSE-UHFFFAOYSA-N 1 0 378.416 2.581 20 0 GFADRO O=S(=O)(CCCC(F)(F)F)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000376153995 563432243 /nfs/dbraw/zinc/43/22/43/563432243.db2.gz BGZOCVAZXSZPMY-FZMZJTMJSA-N 1 0 386.386 2.672 20 0 GFADRO O=C(NC[C@@H]1CCC[N@H+]1CCCO)Nc1cc(Cl)ccc1OC(F)F ZINC000425712743 563432581 /nfs/dbraw/zinc/43/25/81/563432581.db2.gz MKCKTCPIOVNGSX-LBPRGKRZSA-N 1 0 377.819 2.910 20 0 GFADRO COc1cc(Br)c(C[NH2+]C(C)(C)CN2CCOCC2)cc1OC ZINC000308639784 563435075 /nfs/dbraw/zinc/43/50/75/563435075.db2.gz LYFPRSOPUZEGOY-UHFFFAOYSA-N 1 0 387.318 2.667 20 0 GFADRO COc1c(Br)cccc1CN1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000376326292 563438094 /nfs/dbraw/zinc/43/80/94/563438094.db2.gz YKQNDOWIJMIMDK-QAPCUYQASA-N 1 0 396.373 2.916 20 0 GFADRO C[NH+]1CCC(O)(CNC(=O)Nc2cccc(Br)c2Cl)CC1 ZINC000283177104 563438290 /nfs/dbraw/zinc/43/82/90/563438290.db2.gz PRNUWMRMILZCQN-UHFFFAOYSA-N 1 0 376.682 2.681 20 0 GFADRO CC(C)NS(=O)(=O)CC[NH2+][C@@H](Cc1cccnc1)c1cccc(Cl)c1 ZINC000426018691 563442245 /nfs/dbraw/zinc/44/22/45/563442245.db2.gz PZDADXFHDRCTMI-SFHVURJKSA-N 1 0 381.929 2.936 20 0 GFADRO CCN(CC[NH2+][C@@H](C)c1cccc(S(=O)(=O)NC)c1)CCC(F)(F)F ZINC000426056639 563442894 /nfs/dbraw/zinc/44/28/94/563442894.db2.gz ZZRKPXJPDHKDSD-ZDUSSCGKSA-N 1 0 381.464 2.520 20 0 GFADRO C[NH+](C)CC1(C(=O)N[C@H](C(N)=O)c2cccc(Br)c2)CCCCC1 ZINC000426094415 563443311 /nfs/dbraw/zinc/44/33/11/563443311.db2.gz RYFONKIXAKGUPZ-HNNXBMFYSA-N 1 0 396.329 2.604 20 0 GFADRO Cn1cnc(CC[NH2+]Cc2ccc(OC(F)(F)F)c(Br)c2)n1 ZINC000319099767 563444936 /nfs/dbraw/zinc/44/49/36/563444936.db2.gz WNHRWZRYTNQCCG-UHFFFAOYSA-N 1 0 379.180 2.809 20 0 GFADRO FC(F)(F)Oc1ccc(C[NH2+]CCN2CCOCC2)cc1Br ZINC000319120907 563445106 /nfs/dbraw/zinc/44/51/06/563445106.db2.gz GAVGJYIWYVYTNA-UHFFFAOYSA-N 1 0 383.208 2.770 20 0 GFADRO Cc1cc(NC(=O)C(=O)NCC2([NH+](C)C)CCC2)cc(C)c1Br ZINC000426181282 563445634 /nfs/dbraw/zinc/44/56/34/563445634.db2.gz YWBOSMIQKLYQRU-UHFFFAOYSA-N 1 0 382.302 2.605 20 0 GFADRO C[C@@H]1CC[N@H+](C)CCN1C(=O)c1cc(=O)[nH]c2c(Br)cccc12 ZINC000426224142 563447283 /nfs/dbraw/zinc/44/72/83/563447283.db2.gz GKNVXVMSWJLSBN-LLVKDONJSA-N 1 0 378.270 2.869 20 0 GFADRO O=C(Nc1nc2c(s1)CSCC2)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000376644780 563449608 /nfs/dbraw/zinc/44/96/08/563449608.db2.gz UOHFAPUJVQRILP-CYBMUJFWSA-N 1 0 382.555 2.509 20 0 GFADRO Cc1ccc(C)c(OC[C@@H](O)C[NH2+]CCCn2cc(Br)cn2)c1 ZINC000323592565 563451439 /nfs/dbraw/zinc/45/14/39/563451439.db2.gz FBRUYYAFLQLSAT-INIZCTEOSA-N 1 0 382.302 2.682 20 0 GFADRO O=C(Nc1ncc(C(F)(F)F)s1)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000283707993 563451863 /nfs/dbraw/zinc/45/18/63/563451863.db2.gz YHGXWZPQRNJZAS-MNOVXSKESA-N 1 0 378.420 2.661 20 0 GFADRO OCCn1ncc2c1CCC[C@H]2[NH2+]Cc1cc2c(c(Br)c1)OCO2 ZINC000324416299 563452491 /nfs/dbraw/zinc/45/24/91/563452491.db2.gz XGINXGVOBDTVOM-CQSZACIVSA-N 1 0 394.269 2.534 20 0 GFADRO Cn1nc(C(F)(F)F)c(C[NH2+]C[C@H]2CCC3(CCOCC3)[C@@H]2O)c1Cl ZINC000376750837 563452917 /nfs/dbraw/zinc/45/29/17/563452917.db2.gz MMJVOFHCDFDRBE-ZWNOBZJWSA-N 1 0 381.826 2.750 20 0 GFADRO C[C@@H](CCSc1ccccc1)N1CCC([NH2+][C@@H]2CCS(=O)(=O)C2)CC1 ZINC000376798348 563454734 /nfs/dbraw/zinc/45/47/34/563454734.db2.gz GIRHPBYCVSLSFG-FUHWJXTLSA-N 1 0 382.595 2.798 20 0 GFADRO O=S(=O)(c1ccccc1OC(F)(F)F)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000326601004 563455027 /nfs/dbraw/zinc/45/50/27/563455027.db2.gz AHGGSXLFSUIAKE-OLZOCXBDSA-N 1 0 378.416 2.738 20 0 GFADRO Cc1c(Br)cc(C[NH2+]CCS(C)(=O)=O)cc1Br ZINC000283808175 563455163 /nfs/dbraw/zinc/45/51/63/563455163.db2.gz CNMJTLVSSJHUNN-UHFFFAOYSA-N 1 0 385.121 2.654 20 0 GFADRO C[C@@H](CO)[N@@H+]1CCCN(C(=O)Nc2c(F)cc(Br)cc2F)CC1 ZINC000376959221 563459483 /nfs/dbraw/zinc/45/94/83/563459483.db2.gz XKEAZLJAXUMCCY-JTQLQIEISA-N 1 0 392.244 2.648 20 0 GFADRO Fc1ccc(I)c(F)c1CN1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000427098728 563460202 /nfs/dbraw/zinc/46/02/02/563460202.db2.gz CCUMPOYDMMUCDF-ZANVPECISA-N 1 0 378.204 2.753 20 0 GFADRO COC[C@H](C)OC[C@H](O)C[N@@H+]1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000377080218 563462629 /nfs/dbraw/zinc/46/26/29/563462629.db2.gz FJJMDUXFXSRPIB-RWMBFGLXSA-N 1 0 382.448 2.754 20 0 GFADRO CC[N@H+](CCNC(=O)[C@@H]1CCCN(CC(F)(F)F)C1)CCC(F)(F)F ZINC000427230656 563462823 /nfs/dbraw/zinc/46/28/23/563462823.db2.gz QUEUONFYAPKVID-GFCCVEGCSA-N 1 0 377.373 2.651 20 0 GFADRO Cc1nc(S(=O)(=O)N2CCC[C@@H]2c2nc3c(n2C)CCCC3)sc1C ZINC000328767608 563465003 /nfs/dbraw/zinc/46/50/03/563465003.db2.gz FTCRLPWWFONYME-OAHLLOKOSA-N 1 0 380.539 2.898 20 0 GFADRO COc1ccc(Br)cc1CC(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000377231034 563467993 /nfs/dbraw/zinc/46/79/93/563467993.db2.gz HVWMYUDSGMHFSV-MRXNPFEDSA-N 1 0 381.314 2.991 20 0 GFADRO NS(=O)(=O)C[C@H]1CCC[N@H+](Cc2cnc(-c3ccc(Cl)cc3)s2)C1 ZINC000284241450 563468844 /nfs/dbraw/zinc/46/88/44/563468844.db2.gz FDDGLOUWKCIRKB-LBPRGKRZSA-N 1 0 385.942 2.964 20 0 GFADRO C[C@H](c1ccc(Br)cc1)[NH+]1CCC(n2cnc(C(N)=O)c2N)CC1 ZINC000284357088 563471398 /nfs/dbraw/zinc/47/13/98/563471398.db2.gz SMAJSCAMBOMSTK-LLVKDONJSA-N 1 0 392.301 2.725 20 0 GFADRO C[C@@H](NS(=O)(=O)c1ccsc1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000329094766 563472465 /nfs/dbraw/zinc/47/24/65/563472465.db2.gz XPYNYLGAGOALJP-CYBMUJFWSA-N 1 0 383.514 2.679 20 0 GFADRO CN(C1CC[NH+](C2CCOCC2)CC1)S(=O)(=O)Cc1cccc(Cl)c1 ZINC000377379275 563472680 /nfs/dbraw/zinc/47/26/80/563472680.db2.gz OOGWNAHLHZZXJF-UHFFFAOYSA-N 1 0 386.945 2.745 20 0 GFADRO Cn1cc(C[NH2+]CCCn2cc(Br)cn2)c(-c2ccncc2)n1 ZINC000377399902 563473854 /nfs/dbraw/zinc/47/38/54/563473854.db2.gz OORCUSPARSWCAM-UHFFFAOYSA-N 1 0 375.274 2.621 20 0 GFADRO CNC(=O)CC1CCN(Cc2ccc(C(=O)OC)cc2Br)CC1 ZINC000284461020 563476036 /nfs/dbraw/zinc/47/60/36/563476036.db2.gz VBWAJYJDMGTIHK-UHFFFAOYSA-N 1 0 383.286 2.584 20 0 GFADRO Brc1cnn(Cc2cnc(N3CCC[N@@H+]4CCC[C@@H]4C3)s2)c1 ZINC000377468421 563476136 /nfs/dbraw/zinc/47/61/36/563476136.db2.gz NQZYJEAUXBGMPM-CYBMUJFWSA-N 1 0 382.331 2.825 20 0 GFADRO O=S1(=O)CC[C@@]2(C1)C[C@H]([NH2+]Cc1cnc(-c3ccsc3)s1)CCO2 ZINC000329297153 563478439 /nfs/dbraw/zinc/47/84/39/563478439.db2.gz TVLGNACGJICJFL-CJNGLKHVSA-N 1 0 384.548 2.698 20 0 GFADRO CS(=O)(=O)N1CC(C[NH2+][C@H]2CCC[C@H]2c2ccc(C(F)(F)F)cc2)C1 ZINC000427978604 563479751 /nfs/dbraw/zinc/47/97/51/563479751.db2.gz DIDLZHDYBPEOQX-HOTGVXAUSA-N 1 0 376.444 2.823 20 0 GFADRO CN(C(=O)CC[C@@H]1CCCC[N@@H+]1C)[C@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000329523299 563482428 /nfs/dbraw/zinc/48/24/28/563482428.db2.gz GKBPUPFLRYGCKV-HOCLYGCPSA-N 1 0 384.929 2.891 20 0 GFADRO CN1CC[C@H]([NH2+][C@@H]2CCN(CC(F)(F)F)C2=O)[C@H]1c1ccc(Cl)cc1 ZINC000377658656 563482724 /nfs/dbraw/zinc/48/27/24/563482724.db2.gz XTYRWCYICPAFBY-RRFJBIMHSA-N 1 0 375.822 2.838 20 0 GFADRO Cc1nn(C)c(CN(C)C2CCN(c3cc[nH+]cc3)CC2)c1Br ZINC000377703865 563483256 /nfs/dbraw/zinc/48/32/56/563483256.db2.gz QAAFLCRRJQZEHE-UHFFFAOYSA-N 1 0 378.318 2.987 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)[C@@H]1CCCc2nc[nH]c21 ZINC000377763007 563485788 /nfs/dbraw/zinc/48/57/88/563485788.db2.gz QEHURSAJPPBYQB-GFCCVEGCSA-N 1 0 391.269 2.655 20 0 GFADRO Cc1ncc(C[N@@H+]2CC[C@H](NC(=O)Cc3c(C)noc3Cl)[C@H](C)C2)s1 ZINC000377770688 563486612 /nfs/dbraw/zinc/48/66/12/563486612.db2.gz AOKNEYKYUGWWRB-BMIGLBTASA-N 1 0 382.917 2.971 20 0 GFADRO CC(C)(C)C(=O)N1CCC([NH2+]Cc2ccc(S(C)(=O)=O)c(Cl)c2)CC1 ZINC000428539806 563495266 /nfs/dbraw/zinc/49/52/66/563495266.db2.gz BROHCZHACMTQGG-UHFFFAOYSA-N 1 0 386.945 2.870 20 0 GFADRO O=C(CC[N@H+]1CCOC[C@@H]1[C@H]1CCC[C@@H]1O)Nc1ccccc1Br ZINC000285037070 563500020 /nfs/dbraw/zinc/50/00/20/563500020.db2.gz ZZTWZSITZFJPJN-XYPHTWIQSA-N 1 0 397.313 2.640 20 0 GFADRO C[C@H]([NH2+][C@H](CO)c1ccc(Br)cc1)C(=O)NCCc1ccccc1 ZINC000428778092 563501598 /nfs/dbraw/zinc/50/15/98/563501598.db2.gz ICYAXQPMPNWETO-KBXCAEBGSA-N 1 0 391.309 2.820 20 0 GFADRO C[C@H](c1ccccc1)[C@H]([NH2+]CC(=O)N(C)Cc1ccc(Cl)s1)C(N)=O ZINC000428847717 563503302 /nfs/dbraw/zinc/50/33/02/563503302.db2.gz VTXDPGKKJFWMNE-PXAZEXFGSA-N 1 0 379.913 2.607 20 0 GFADRO C[C@@H]([NH3+])C1CCN(C(=O)c2cnc(Sc3nccn3C)c(Cl)c2)CC1 ZINC000428908498 563504390 /nfs/dbraw/zinc/50/43/90/563504390.db2.gz REHSNDOMFOWFIX-LLVKDONJSA-N 1 0 379.917 2.819 20 0 GFADRO Cn1cc([C@@H](O)C[C@@H]2CCC[N@@H+]2Cc2cc(O)ccc2Br)cn1 ZINC000378382547 563505172 /nfs/dbraw/zinc/50/51/72/563505172.db2.gz ZHURHUITWUEPAX-YOEHRIQHSA-N 1 0 380.286 2.976 20 0 GFADRO O=C(NCCC[NH2+][C@@H]1CCS(=O)(=O)c2ccc(F)cc21)c1cccs1 ZINC000378439358 563506532 /nfs/dbraw/zinc/50/65/32/563506532.db2.gz OXEHMIOTCBPETD-CQSZACIVSA-N 1 0 382.482 2.515 20 0 GFADRO C[C@H]([NH2+]C[C@@H]1CCC[C@]12NC(=O)N(C)C2=O)c1cc(Br)ccc1F ZINC000378470035 563507421 /nfs/dbraw/zinc/50/74/21/563507421.db2.gz AJCLAGWCZBXBLD-DINDLPBHSA-N 1 0 398.276 2.959 20 0 GFADRO O=S(=O)(CCC(F)(F)F)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000285193752 563507864 /nfs/dbraw/zinc/50/78/64/563507864.db2.gz CMPNQIKWBBLSKN-MRXNPFEDSA-N 1 0 376.444 2.867 20 0 GFADRO CC(C)[C@H]([NH3+])CNC(=O)C(=O)Nc1ccc(Br)cc1C(F)(F)F ZINC000429127777 563510015 /nfs/dbraw/zinc/51/00/15/563510015.db2.gz DDFYXIQAMYZZFI-SNVBAGLBSA-N 1 0 396.207 2.506 20 0 GFADRO CCCN(C(=O)c1cnc(Sc2nccn2C)c(Cl)c1)[C@H]1CC[NH2+]C1 ZINC000429096442 563510285 /nfs/dbraw/zinc/51/02/85/563510285.db2.gz DILZEEODJYYVCO-ZDUSSCGKSA-N 1 0 379.917 2.834 20 0 GFADRO [NH3+]C[C@H]1CCC[C@@H]1NC(=O)c1cc(I)ccc1Cl ZINC000429144061 563510925 /nfs/dbraw/zinc/51/09/25/563510925.db2.gz SZDGPSOEGRKDNZ-PELKAZGASA-N 1 0 378.641 2.802 20 0 GFADRO C[C@H](C(=O)Nc1cccc(Br)c1)N1CCO[C@]2(CCCOC2)C1 ZINC000285284942 563512674 /nfs/dbraw/zinc/51/26/74/563512674.db2.gz JSHXAHRAXYDGHE-CXAGYDPISA-N 1 0 383.286 2.658 20 0 GFADRO COC(=O)Cn1cc(CC[N@@H+]2CCC[C@@H]2c2ccc(Br)s2)nn1 ZINC000378646913 563513767 /nfs/dbraw/zinc/51/37/67/563513767.db2.gz HZRAEOUSDPPURP-GFCCVEGCSA-N 1 0 399.314 2.655 20 0 GFADRO CN(C)S(=O)(=O)CC[NH2+][C@@H]1c2cc(Br)ccc2CC1(C)C ZINC000429313042 563513836 /nfs/dbraw/zinc/51/38/36/563513836.db2.gz XCVJNMBMPGMURC-CQSZACIVSA-N 1 0 375.332 2.554 20 0 GFADRO CCNC(=O)NC(=O)[C@H](C)[NH2+][C@H]1c2cc(Br)ccc2CC1(C)C ZINC000429298451 563514237 /nfs/dbraw/zinc/51/42/37/563514237.db2.gz XDNDTRIMGJCYHD-HZMBPMFUSA-N 1 0 382.302 2.896 20 0 GFADRO CCS(=O)(=O)NCC[NH2+][C@H]1c2cccc(Br)c2CC1(C)C ZINC000429366409 563515628 /nfs/dbraw/zinc/51/56/28/563515628.db2.gz YPYPGNHJIOIMPD-AWEZNQCLSA-N 1 0 375.332 2.601 20 0 GFADRO CC1(C)Cc2c(cccc2Br)[C@@H]1[NH2+]CCC(=O)N1CCOCC1 ZINC000429366797 563515724 /nfs/dbraw/zinc/51/57/24/563515724.db2.gz UBNYOIQTZYGIGN-KRWDZBQOSA-N 1 0 381.314 2.911 20 0 GFADRO COC[C@@H]([NH2+]C[C@@H](CO)Cc1cccc(Br)c1)C1CCOCC1 ZINC000429423183 563516087 /nfs/dbraw/zinc/51/60/87/563516087.db2.gz AYHSSICMVDPJOX-MAUKXSAKSA-N 1 0 386.330 2.631 20 0 GFADRO COc1c(Br)cc(C[NH2+]C2COCCOC2)cc1Br ZINC000382040297 563516248 /nfs/dbraw/zinc/51/62/48/563516248.db2.gz UHZQJOWDQKRKMI-UHFFFAOYSA-N 1 0 395.091 2.725 20 0 GFADRO CNC(=O)c1ccc(C[NH2+][C@@](C)(CO)c2ccc(Br)cc2)cc1 ZINC000285350393 563516189 /nfs/dbraw/zinc/51/61/89/563516189.db2.gz DOIJFBGHUKPMST-SFHVURJKSA-N 1 0 377.282 2.806 20 0 GFADRO [NH3+]CCC1CCN(S(=O)(=O)c2c(Cl)cccc2Br)CC1 ZINC000381914249 563516533 /nfs/dbraw/zinc/51/65/33/563516533.db2.gz HNMKVFBIXJJQTK-UHFFFAOYSA-N 1 0 381.723 2.852 20 0 GFADRO C[NH2+]CC1CCN(C(=O)c2cnc(Sc3nccn3C)c(Cl)c2)CC1 ZINC000429465475 563516754 /nfs/dbraw/zinc/51/67/54/563516754.db2.gz XLZRRQOWYUXZIA-UHFFFAOYSA-N 1 0 379.917 2.691 20 0 GFADRO C[C@@H]1CC[N@H+](C[C@H](O)COc2ccc(Cl)cc2Br)C[C@H]1O ZINC000330668326 563516934 /nfs/dbraw/zinc/51/69/34/563516934.db2.gz XWTPWFDBCGRKAM-SCDSUCTJSA-N 1 0 378.694 2.545 20 0 GFADRO CCN(CC)C(=O)C[C@H](C)[NH2+]C[C@@H](CO)Cc1cccc(Br)c1 ZINC000429434769 563517029 /nfs/dbraw/zinc/51/70/29/563517029.db2.gz RRXQLKXTCUMJHD-HOCLYGCPSA-N 1 0 385.346 2.837 20 0 GFADRO CC(C)NS(=O)(=O)NCC[NH2+][C@H]1CCCOc2c(Cl)c(Cl)ccc21 ZINC000429436197 563517119 /nfs/dbraw/zinc/51/71/19/563517119.db2.gz VPJLGZTUEYMDFP-ZDUSSCGKSA-N 1 0 396.340 2.629 20 0 GFADRO [NH3+]CC[C@H](NC(=O)c1ccc(Br)cc1Br)C(F)F ZINC000383465878 563517198 /nfs/dbraw/zinc/51/71/98/563517198.db2.gz QCTFPHLRCDABDH-VIFPVBQESA-N 1 0 386.034 2.924 20 0 GFADRO C[C@@H](CNC(=O)NCCCCc1ccc(Cl)s1)C[NH+]1CCN(C)CC1 ZINC000285372949 563517266 /nfs/dbraw/zinc/51/72/66/563517266.db2.gz KTPGCCMCKIZLCL-HNNXBMFYSA-N 1 0 386.993 2.907 20 0 GFADRO OC1(CC[NH2+]Cc2c(F)ccc(I)c2F)CCOCC1 ZINC000285384269 563518255 /nfs/dbraw/zinc/51/82/55/563518255.db2.gz DBFDPYHBOOJOBO-UHFFFAOYSA-N 1 0 397.203 2.591 20 0 GFADRO O=S(=O)(c1ccc(F)cc1Br)N1CCC2(CC[NH2+]CC2)CC1 ZINC000389171988 563521850 /nfs/dbraw/zinc/52/18/50/563521850.db2.gz VZDDDMRIJIUTCL-UHFFFAOYSA-N 1 0 391.306 2.743 20 0 GFADRO Cc1cc(C)n(CCC[NH2+]Cc2ncc(I)s2)n1 ZINC000285465738 563522271 /nfs/dbraw/zinc/52/22/71/563522271.db2.gz NJTGFEBNRGFYHU-UHFFFAOYSA-N 1 0 376.267 2.741 20 0 GFADRO CC[NH+](CC)CC1CCN(S(=O)(=O)c2ccc(Br)o2)CC1 ZINC000330841552 563523093 /nfs/dbraw/zinc/52/30/93/563523093.db2.gz ZQNOXAUHFSATAT-UHFFFAOYSA-N 1 0 379.320 2.785 20 0 GFADRO CCOc1c(Br)cc(C[NH2+]C(C)(C)CS(C)(=O)=O)cc1OC ZINC000391404140 563524717 /nfs/dbraw/zinc/52/47/17/563524717.db2.gz UNTBTOXLGMJCSJ-UHFFFAOYSA-N 1 0 394.331 2.769 20 0 GFADRO CC[N@H+](CCNS(=O)(=O)c1cc(Cl)ccc1Br)C1CC1 ZINC000429837949 563525057 /nfs/dbraw/zinc/52/50/57/563525057.db2.gz GZCHSADOUPCWRY-UHFFFAOYSA-N 1 0 381.723 2.865 20 0 GFADRO Cc1ccc(S(=O)(=O)N(C[C@@H](O)CC(C)(C)C)C2CC[NH+](C)CC2)s1 ZINC000330885557 563525262 /nfs/dbraw/zinc/52/52/62/563525262.db2.gz LVPQYSYITDJVAD-INIZCTEOSA-N 1 0 388.599 2.939 20 0 GFADRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)CCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000285575998 563527317 /nfs/dbraw/zinc/52/73/17/563527317.db2.gz HYSGQFKOPQIIIG-YOEHRIQHSA-N 1 0 386.945 2.693 20 0 GFADRO CN1CCO[C@H]2CCN(C(=O)Nc3ccc(Cl)c(OC(F)F)c3)C[C@@H]21 ZINC000285633234 563530290 /nfs/dbraw/zinc/53/02/90/563530290.db2.gz ZZCRPGSNGBGCDC-STQMWFEESA-N 1 0 375.803 2.878 20 0 GFADRO Cc1cc(Br)ccc1C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000395161353 563531012 /nfs/dbraw/zinc/53/10/12/563531012.db2.gz UGXXHCXKQISJBT-CRAIPNDOSA-N 1 0 394.357 2.838 20 0 GFADRO COc1cc(Cl)c(C[NH2+][C@H]2CCCC[C@@H]2NS(C)(=O)=O)cc1Cl ZINC000331030243 563532527 /nfs/dbraw/zinc/53/25/27/563532527.db2.gz YUXDLOXEFAGZIV-KBPBESRZSA-N 1 0 381.325 2.952 20 0 GFADRO O=C(NCC1(O)CC[NH+](Cc2ccccc2)CC1)c1cc(Br)c[nH]1 ZINC000397555089 563532614 /nfs/dbraw/zinc/53/26/14/563532614.db2.gz KEAWLKGIKKYEFB-UHFFFAOYSA-N 1 0 392.297 2.534 20 0 GFADRO CC(=O)c1cc(Br)ccc1OCC(=O)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000285714265 563534222 /nfs/dbraw/zinc/53/42/22/563534222.db2.gz PSIAFFUZYFYPCL-ZBEGNZNMSA-N 1 0 395.297 2.629 20 0 GFADRO Brc1cnn(CC[NH2+]C2CCN(CCc3ccccc3)CC2)c1 ZINC000285734075 563534480 /nfs/dbraw/zinc/53/44/80/563534480.db2.gz QYFVAKZQXGTMRP-UHFFFAOYSA-N 1 0 377.330 2.942 20 0 GFADRO C[C@@H](C(=O)NC[C@H](CO)Cc1cccc(Br)c1)[NH+]1CCCCCC1 ZINC000430136080 563535167 /nfs/dbraw/zinc/53/51/67/563535167.db2.gz RTFIDKAROPNBTK-DOTOQJQBSA-N 1 0 397.357 2.981 20 0 GFADRO C[NH+]1CCN(CCC(C)(C)NS(=O)(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000331158709 563537858 /nfs/dbraw/zinc/53/78/58/563537858.db2.gz FJLFGTUFKSXAOK-UHFFFAOYSA-N 1 0 394.368 2.688 20 0 GFADRO CC1CC[NH+](C[C@H](O)CNS(=O)(=O)c2c(Cl)cc(F)cc2Cl)CC1 ZINC000331227535 563541484 /nfs/dbraw/zinc/54/14/84/563541484.db2.gz NYRTZPYDWFSMCE-GFCCVEGCSA-N 1 0 399.315 2.504 20 0 GFADRO C[C@H](NC(=O)COC1C[NH2+]C1)c1nc(-c2ccc(Br)cc2)cs1 ZINC000430432054 563543778 /nfs/dbraw/zinc/54/37/78/563543778.db2.gz ZBQJAJAEISTLSE-JTQLQIEISA-N 1 0 396.310 2.738 20 0 GFADRO CC[NH+](CC)CC1CCN(S(=O)(=O)c2cnccc2C(F)(F)F)CC1 ZINC000331292319 563544255 /nfs/dbraw/zinc/54/42/55/563544255.db2.gz WWKWSDKWNRVERY-UHFFFAOYSA-N 1 0 379.448 2.843 20 0 GFADRO CC(=O)Nc1ccc(S(=O)(=O)NCC[N@@H+]2CCCC(C)(C)C2)cc1Cl ZINC000331303689 563544954 /nfs/dbraw/zinc/54/49/54/563544954.db2.gz WBZTZEMDBKFKMS-UHFFFAOYSA-N 1 0 387.933 2.699 20 0 GFADRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)Cc1cc[nH]c(=O)c1Br ZINC000331333983 563546479 /nfs/dbraw/zinc/54/64/79/563546479.db2.gz WKELIXVJBQYTHZ-XQQFMLRXSA-N 1 0 384.318 2.575 20 0 GFADRO O=S(=O)(c1ccc(Br)o1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000408214649 563547955 /nfs/dbraw/zinc/54/79/55/563547955.db2.gz ODZRWHNJSIZLSD-GFCCVEGCSA-N 1 0 377.304 2.539 20 0 GFADRO C[C@H]([NH2+]CCc1ccccc1O)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430723172 563548328 /nfs/dbraw/zinc/54/83/28/563548328.db2.gz OFNLHBSKTTXHPF-NSHDSACASA-N 1 0 399.310 2.695 20 0 GFADRO CCN(CCOc1ccc(Br)cc1)Cc1nc(C(C)(C)[NH3+])no1 ZINC000431089025 563552805 /nfs/dbraw/zinc/55/28/05/563552805.db2.gz UINOXOXWVFYIDM-UHFFFAOYSA-N 1 0 383.290 2.927 20 0 GFADRO [NH3+]CC[C@@H]1CCCCN1C(=O)CN1C(=S)N=NC1c1ccc(Cl)cc1 ZINC000286308085 563555497 /nfs/dbraw/zinc/55/54/97/563555497.db2.gz XVWYNOVWADFPHU-AWEZNQCLSA-N 1 0 379.917 2.617 20 0 GFADRO [NH3+]C1CCN(C(=O)Nc2cc(Br)cc(C(=O)N3CCCC3)c2)CC1 ZINC000331697302 563558323 /nfs/dbraw/zinc/55/83/23/563558323.db2.gz VTPGGQGFTBXMIA-UHFFFAOYSA-N 1 0 395.301 2.640 20 0 GFADRO C[C@@H]1CN(C(=O)[C@H]2CCCN(C(=O)c3ccc(Cl)c(Cl)c3)C2)C[C@H]1[NH3+] ZINC000331727285 563559628 /nfs/dbraw/zinc/55/96/28/563559628.db2.gz NDLJKTNXTNMDQR-PVXIVEMSSA-N 1 0 384.307 2.651 20 0 GFADRO CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)NCCc2cc(Cl)cc(Cl)c2)C1 ZINC000286464310 563560860 /nfs/dbraw/zinc/56/08/60/563560860.db2.gz KEDCVHKPNJMDAZ-CQSZACIVSA-N 1 0 386.323 2.500 20 0 GFADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)c2c(Cl)cc(F)cc2Cl)CC1 ZINC000431617687 563564661 /nfs/dbraw/zinc/56/46/61/563564661.db2.gz CUBHYVIKWMYMQY-UHFFFAOYSA-N 1 0 390.286 2.759 20 0 GFADRO CC[N@@H+]1CCN(Cc2csc(-c3ccc(S(C)(=O)=O)cc3)n2)[C@H](C)C1 ZINC000286570810 563565764 /nfs/dbraw/zinc/56/57/64/563565764.db2.gz PPUPPRIXQQTPBY-CQSZACIVSA-N 1 0 379.551 2.740 20 0 GFADRO C[NH+](C)[C@@H]1CCN(C(=O)c2cnc3c(Cl)cc(Br)cc3c2O)C1 ZINC000331913421 563566792 /nfs/dbraw/zinc/56/67/92/563566792.db2.gz BGKWRFDGDJKYOH-SNVBAGLBSA-N 1 0 398.688 2.720 20 0 GFADRO Nc1nc(-n2cccn2)cc(N[C@@H]2CCOc3c(Br)cccc32)[nH+]1 ZINC000409654450 563567361 /nfs/dbraw/zinc/56/73/61/563567361.db2.gz XBLBEHPDNQFANM-GFCCVEGCSA-N 1 0 387.241 2.943 20 0 GFADRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1S(=O)(=O)c1sccc1Br ZINC000286618762 563567925 /nfs/dbraw/zinc/56/79/25/563567925.db2.gz HWOKYWCFJUQJHY-ZYHUDNBSSA-N 1 0 379.345 2.758 20 0 GFADRO C[C@@H]1[C@H](NC(=O)N[C@@H]2COc3cc(F)c(Br)cc32)CCC[N@@H+]1C ZINC000409750086 563570065 /nfs/dbraw/zinc/57/00/65/563570065.db2.gz JNBGMIVKFFYULB-OWYVNGRQSA-N 1 0 386.265 2.804 20 0 GFADRO CC[NH+](CC)C[C@@H]1CCCC[C@H]1NS(=O)(=O)c1cc(C(=O)OC)cs1 ZINC000431895713 563570658 /nfs/dbraw/zinc/57/06/58/563570658.db2.gz GHDVSLZANLCVEI-DZGCQCFKSA-N 1 0 388.555 2.714 20 0 GFADRO C[C@H](CNC(=O)C(C)(C)c1ccccc1Br)C[NH+]1CCN(C)CC1 ZINC000409755068 563570846 /nfs/dbraw/zinc/57/08/46/563570846.db2.gz WVDGXGKNVZWBFB-OAHLLOKOSA-N 1 0 396.373 2.726 20 0 GFADRO COC(=O)c1cc(NC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)ccc1Br ZINC000332063427 563573497 /nfs/dbraw/zinc/57/34/97/563573497.db2.gz QSBYZENQBQEOGK-HUUCEWRRSA-N 1 0 396.285 2.984 20 0 GFADRO C[NH+]1CCN(c2ccc(NC(=O)Cc3cscc3Br)cn2)CC1 ZINC000432052442 563573768 /nfs/dbraw/zinc/57/37/68/563573768.db2.gz LASXEJZQCAAZHU-UHFFFAOYSA-N 1 0 395.326 2.839 20 0 GFADRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)c1ccn(-c2ccc(Br)cc2)n1 ZINC000432022320 563573832 /nfs/dbraw/zinc/57/38/32/563573832.db2.gz YGQJUDDSVCPSQA-DOTOQJQBSA-N 1 0 389.297 2.991 20 0 GFADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)c2cc(Br)cc(N(C)C)c2)C1 ZINC000432063629 563574495 /nfs/dbraw/zinc/57/44/95/563574495.db2.gz OLPYYNZLWTWVPZ-QGZVFWFLSA-N 1 0 398.345 2.602 20 0 GFADRO O=C(CC[N@H+]1CCC[C@@](F)(CO)C1)Nc1ccc(Br)cc1F ZINC000286802406 563575661 /nfs/dbraw/zinc/57/56/61/563575661.db2.gz IZGBYWMBMWEKJA-HNNXBMFYSA-N 1 0 377.229 2.713 20 0 GFADRO C[NH+]1CCN(c2ccc(Br)cc2NC(=O)c2ccc(F)cn2)CC1 ZINC000409991033 563577227 /nfs/dbraw/zinc/57/72/27/563577227.db2.gz FGUZPNVNPKNTHM-UHFFFAOYSA-N 1 0 393.260 2.987 20 0 GFADRO CSc1cc2c(cc1NC(=O)N1C[C@@H](SC)[C@H]([NH+](C)C)C1)OCCO2 ZINC000332141539 563578922 /nfs/dbraw/zinc/57/89/22/563578922.db2.gz JJIDSSJXOSXLCH-MLGOLLRUSA-N 1 0 383.539 2.689 20 0 GFADRO C[C@H]([NH2+]C[C@H]1CCCS(=O)(=O)C1)c1ccccc1I ZINC000286916704 563579821 /nfs/dbraw/zinc/57/98/21/563579821.db2.gz FJPFCOVDJRTGHR-NWDGAFQWSA-N 1 0 393.290 2.767 20 0 GFADRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1cn2ccc(Br)cc2n1 ZINC000286980192 563582473 /nfs/dbraw/zinc/58/24/73/563582473.db2.gz GQENYRQHVVBQNF-WFASDCNBSA-N 1 0 377.286 2.796 20 0 GFADRO CN(Cc1ccc(Cl)s1)C(=O)NCC(=O)NCC[NH+]1CCCCCC1 ZINC000432428312 563584275 /nfs/dbraw/zinc/58/42/75/563584275.db2.gz JZOCLQRRCRTIQF-UHFFFAOYSA-N 1 0 386.949 2.535 20 0 GFADRO C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)c1c(O)cnc2c(Br)cccc21 ZINC000332234312 563585831 /nfs/dbraw/zinc/58/58/31/563585831.db2.gz RQVFRKDYPYLPNA-QWRGUYRKSA-N 1 0 378.270 2.868 20 0 GFADRO C[N@H+](CC(=O)N[C@@H]1CCOc2c(Br)cccc21)[C@H]1CCSC1 ZINC000410270663 563586273 /nfs/dbraw/zinc/58/62/73/563586273.db2.gz GVNXSRYIRSXLSS-SMDDNHRTSA-N 1 0 385.327 2.826 20 0 GFADRO COc1ccc(Br)cc1C(=O)CCC(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000432533445 563586660 /nfs/dbraw/zinc/58/66/60/563586660.db2.gz CLQFYPPMLDMOQW-FZMZJTMJSA-N 1 0 383.286 2.535 20 0 GFADRO COc1ccc(Br)cc1C(=O)CCC(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000432533447 563587047 /nfs/dbraw/zinc/58/70/47/563587047.db2.gz CLQFYPPMLDMOQW-SMDDNHRTSA-N 1 0 383.286 2.535 20 0 GFADRO CN1CC[C@@H]([NH+]2CCC(NC(=O)c3cc(F)c(Cl)cc3Cl)CC2)C1=O ZINC000332297168 563590799 /nfs/dbraw/zinc/59/07/99/563590799.db2.gz KTSVMJOWILBCAM-OAHLLOKOSA-N 1 0 388.270 2.557 20 0 GFADRO COC(=O)c1csc([C@H](C)[NH2+]CCS(=O)(=O)CCc2ccccc2)c1 ZINC000287300528 563595575 /nfs/dbraw/zinc/59/55/75/563595575.db2.gz DOCARBLHVKOZKH-AWEZNQCLSA-N 1 0 381.519 2.843 20 0 GFADRO CNC(=O)c1cccc(NC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c1Br ZINC000287369295 563598649 /nfs/dbraw/zinc/59/86/49/563598649.db2.gz KNCNUYXDNPTLAH-VXGBXAGGSA-N 1 0 397.317 2.755 20 0 GFADRO CN(Cc1cc(Br)cs1)C(=O)C[N@@H+]1CC[C@H](O)C12CCCC2 ZINC000433033528 563601253 /nfs/dbraw/zinc/60/12/53/563601253.db2.gz PXQDZCLJMCREEQ-AWEZNQCLSA-N 1 0 387.343 2.848 20 0 GFADRO O=C(NCCC[NH+]1CCCC1)C(=O)Nc1cc(Cl)ccc1C(F)(F)F ZINC000287442138 563602153 /nfs/dbraw/zinc/60/21/53/563602153.db2.gz MTYLGFYZFPAMRM-UHFFFAOYSA-N 1 0 377.794 2.899 20 0 GFADRO C[NH+](C)C1(CNC(=O)NCC(F)(F)c2ccc(Cl)cc2)CCOCC1 ZINC000287464821 563602321 /nfs/dbraw/zinc/60/23/21/563602321.db2.gz PEVOXKWDPYAGEU-UHFFFAOYSA-N 1 0 375.847 2.842 20 0 GFADRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N(C)Cc2c(Cl)cccc2Cl)C1 ZINC000411034856 563602735 /nfs/dbraw/zinc/60/27/35/563602735.db2.gz YGAQKEWMWYGDRL-ZDUSSCGKSA-N 1 0 386.323 2.893 20 0 GFADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2cccc(C(=O)NC)c2Br)C1 ZINC000287476389 563603315 /nfs/dbraw/zinc/60/33/15/563603315.db2.gz RRDCBNBGSYRPOB-LBPRGKRZSA-N 1 0 397.317 2.614 20 0 GFADRO CC(C)[C@@H](C[NH3+])C(=O)NCC1(c2ccc(Br)cc2)CCOCC1 ZINC000433122461 563604049 /nfs/dbraw/zinc/60/40/49/563604049.db2.gz VYZBTYDWOGNORP-MRXNPFEDSA-N 1 0 383.330 2.844 20 0 GFADRO O=C(Nc1ccccc1I)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000332553475 563604339 /nfs/dbraw/zinc/60/43/39/563604339.db2.gz LHPRUWHRGIOUIU-GRYCIOLGSA-N 1 0 385.249 2.801 20 0 GFADRO Cc1ccc(-c2csc(NC(=O)C(=O)NCCC[N@@H+](C)C(C)C)n2)s1 ZINC000287507876 563604438 /nfs/dbraw/zinc/60/44/38/563604438.db2.gz RFHHDEDJIJIABF-UHFFFAOYSA-N 1 0 380.539 2.965 20 0 GFADRO Cc1cc(I)ccc1NC(=O)C[NH2+][C@@H]1CCOC[C@@H]1C ZINC000433176991 563604624 /nfs/dbraw/zinc/60/46/24/563604624.db2.gz PISHZCXVKQQZAD-WCQYABFASA-N 1 0 388.249 2.553 20 0 GFADRO CC[NH+]1CCN(CC(C)(C)NC(=O)c2ccc(Br)cc2OC)CC1 ZINC000411070348 563604647 /nfs/dbraw/zinc/60/46/47/563604647.db2.gz HHLBPYDXEAYDHB-UHFFFAOYSA-N 1 0 398.345 2.604 20 0 GFADRO CCOC(=O)C[C@H](NC(=O)[C@@H](C[NH3+])C(C)C)c1ccc(Br)cc1 ZINC000433150352 563604678 /nfs/dbraw/zinc/60/46/78/563604678.db2.gz GDGVHXGIZKASAN-GJZGRUSLSA-N 1 0 385.302 2.791 20 0 GFADRO CC1CC[NH+](C[C@H](O)CNS(=O)(=O)Cc2ccc(Cl)cc2Cl)CC1 ZINC000332586259 563605950 /nfs/dbraw/zinc/60/59/50/563605950.db2.gz CANYFZCAASFGST-OAHLLOKOSA-N 1 0 395.352 2.506 20 0 GFADRO C[C@H](CNC(=O)C(=O)Nc1ccccc1Br)[N@@H+]1CCCC[C@H]1C ZINC000332591492 563606658 /nfs/dbraw/zinc/60/66/58/563606658.db2.gz GAVHQIYUHXINCI-CHWSQXEVSA-N 1 0 382.302 2.767 20 0 GFADRO C[NH+](C)[C@H]1CCCN([C@@H]2CCN(c3cccc(Br)c3)C2=O)CC1 ZINC000433256621 563608129 /nfs/dbraw/zinc/60/81/29/563608129.db2.gz AYRCBVJPERLJSL-DOTOQJQBSA-N 1 0 380.330 2.971 20 0 GFADRO C[NH2+]C1CCN(C(=O)C(=O)N2CCc3c(Cl)cc(Cl)cc3[C@@H]2C)CC1 ZINC000332628270 563608231 /nfs/dbraw/zinc/60/82/31/563608231.db2.gz UIAJDKLHIYDPPU-NSHDSACASA-N 1 0 384.307 2.650 20 0 GFADRO C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](Cc3ccc(Br)cc3)C2)C[C@H](C)O1 ZINC000433319347 563609248 /nfs/dbraw/zinc/60/92/48/563609248.db2.gz ODLNDDMOYSZHEZ-HLLBOEOZSA-N 1 0 395.341 2.949 20 0 GFADRO CS(=O)(=O)N1CCC[C@@H]([NH2+]CC2=Cc3cc(Cl)cc(Cl)c3OC2)C1 ZINC000332642027 563609764 /nfs/dbraw/zinc/60/97/64/563609764.db2.gz XCUNYKBDDFQOCH-CQSZACIVSA-N 1 0 391.320 2.783 20 0 GFADRO CNc1cc(I)ccc1C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000411239030 563611552 /nfs/dbraw/zinc/61/15/52/563611552.db2.gz MPDULZDDQQNXCA-UHFFFAOYSA-N 1 0 399.276 2.690 20 0 GFADRO CC(C)CNC(=O)NC(=O)[C@H](C)[NH2+][C@H]1CCOc2c(Br)cccc21 ZINC000332706383 563612558 /nfs/dbraw/zinc/61/25/58/563612558.db2.gz KGSSOQCJMIZTAD-FZMZJTMJSA-N 1 0 398.301 2.733 20 0 GFADRO O=C(N[C@H](c1cncc(Br)c1)C1CC1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000287752869 563616507 /nfs/dbraw/zinc/61/65/07/563616507.db2.gz INXSDKIMDGTNLI-IRXDYDNUSA-N 1 0 391.313 2.951 20 0 GFADRO Cc1cc(S(=O)(=O)NC[C@@]2([NH+](C)C)CCSC2)sc1Br ZINC000433657414 563617637 /nfs/dbraw/zinc/61/76/37/563617637.db2.gz BHWUGQZQANHWHG-LBPRGKRZSA-N 1 0 399.401 2.535 20 0 GFADRO C[C@H](CC[NH+](C)C)NS(=O)(=O)c1cc(Br)sc1Cl ZINC000433657798 563617908 /nfs/dbraw/zinc/61/79/08/563617908.db2.gz CXWMFQIFOJJBJG-SSDOTTSWSA-N 1 0 375.741 2.783 20 0 GFADRO O=C(Nc1ccc2nccnc2c1Br)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000287812930 563618535 /nfs/dbraw/zinc/61/85/35/563618535.db2.gz UZVMVBLSEVLIBY-GFCCVEGCSA-N 1 0 388.269 2.870 20 0 GFADRO CC[NH+]1CCC(NC(=O)CNC(C)(C)c2ccccc2Br)CC1 ZINC000411471646 563620302 /nfs/dbraw/zinc/62/03/02/563620302.db2.gz FTZLXEGVUIYKSX-UHFFFAOYSA-N 1 0 382.346 2.874 20 0 GFADRO Cc1c(Br)cc(C(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)c(=O)n1C ZINC000433818906 563620643 /nfs/dbraw/zinc/62/06/43/563620643.db2.gz OAJTUZNNQZYOSI-INIZCTEOSA-N 1 0 398.345 2.697 20 0 GFADRO NC(=O)C[C@H]([NH2+]Cc1cc(Cl)cc(Br)c1)C1CCOCC1 ZINC000411514155 563621664 /nfs/dbraw/zinc/62/16/64/563621664.db2.gz FRAXHIXZBXJLDO-AWEZNQCLSA-N 1 0 375.694 2.863 20 0 GFADRO Cc1nn(C)c(NC(=O)N2CC[NH2+][C@@H](C)C2)c1-c1ccc(Br)cc1 ZINC000333153826 563622045 /nfs/dbraw/zinc/62/20/45/563622045.db2.gz MSIMDWCFXYCLMR-NSHDSACASA-N 1 0 392.301 2.984 20 0 GFADRO C[C@H]1[NH2+]CCC[C@H]1NC(=O)Nc1cc(Br)ccc1N1CCOCC1 ZINC000333174821 563623384 /nfs/dbraw/zinc/62/33/84/563623384.db2.gz QQKVROJFDGKGCR-TZMCWYRMSA-N 1 0 397.317 2.548 20 0 GFADRO CNC(=O)NC(=O)CC[NH2+][C@@H](CC1CC1)c1cc(F)cc(Br)c1 ZINC000411576395 563624493 /nfs/dbraw/zinc/62/44/93/563624493.db2.gz YXVHMLDDLPKWDH-AWEZNQCLSA-N 1 0 386.265 2.865 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000287985561 563624950 /nfs/dbraw/zinc/62/49/50/563624950.db2.gz GAELYCIEYOTPLK-YIONKMFJSA-N 1 0 394.313 2.780 20 0 GFADRO CCO[C@@H]1C[C@](CO)([NH2+]CCC(=O)Nc2ccccc2Br)C1(C)C ZINC000411611926 563626138 /nfs/dbraw/zinc/62/61/38/563626138.db2.gz OEJXGHNHRPFWMQ-CRAIPNDOSA-N 1 0 399.329 2.933 20 0 GFADRO C[C@H](NC(=O)C(=O)N[C@@H](C)C1=CC[N@H+](C)CC1)c1cccc(Cl)c1Cl ZINC000288066696 563627621 /nfs/dbraw/zinc/62/76/21/563627621.db2.gz GKFAOXOBXQUQCY-RYUDHWBXSA-N 1 0 384.307 2.937 20 0 GFADRO [NH3+][C@@H]1CCO[C@H](C2CCN(C(=O)c3ccc(F)c(Br)c3)CC2)C1 ZINC000333312344 563628083 /nfs/dbraw/zinc/62/80/83/563628083.db2.gz RZUBYRMPHAWKBL-CJNGLKHVSA-N 1 0 385.277 2.947 20 0 GFADRO O=C(CC[N@@H+](CCO)[C@H]1CCCSC1)Nc1ccccc1Br ZINC000411672138 563629151 /nfs/dbraw/zinc/62/91/51/563629151.db2.gz URTRCEFURJLUGJ-ZDUSSCGKSA-N 1 0 387.343 2.968 20 0 GFADRO CSc1cccc(NC(=O)C(=O)N(CC[NH+](C)C)Cc2ccsc2)c1 ZINC000411695683 563630439 /nfs/dbraw/zinc/63/04/39/563630439.db2.gz PRRSBJLBXKKAJH-UHFFFAOYSA-N 1 0 377.535 2.999 20 0 GFADRO COC(=O)C[C@](C)([NH2+]Cc1ccnc(N)c1)c1ccc(Br)cc1 ZINC000411728716 563631634 /nfs/dbraw/zinc/63/16/34/563631634.db2.gz SXNHZXQSVBPGNE-KRWDZBQOSA-N 1 0 378.270 2.994 20 0 GFADRO CC(C)Oc1ccc([C@H](CNC(=O)CSc2nncs2)[NH+](C)C)cc1 ZINC000288178936 563632744 /nfs/dbraw/zinc/63/27/44/563632744.db2.gz HBUNUWYUCUAGIV-HNNXBMFYSA-N 1 0 380.539 2.837 20 0 GFADRO Cc1cc(Br)c(F)cc1NC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000333465170 563633544 /nfs/dbraw/zinc/63/35/44/563633544.db2.gz HGVIDDWFPSXSMB-SMDDNHRTSA-N 1 0 396.264 2.589 20 0 GFADRO [NH3+][C@@H]1CCO[C@H](C2CCN(S(=O)(=O)c3cc(Cl)sc3Cl)CC2)C1 ZINC000333478973 563633832 /nfs/dbraw/zinc/63/38/32/563633832.db2.gz BWWQMQJAPDOPNR-MNOVXSKESA-N 1 0 399.365 2.962 20 0 GFADRO C[C@H]1[NH2+]CCC[C@H]1NC(=O)c1cc(I)ccc1Cl ZINC000434705608 563635511 /nfs/dbraw/zinc/63/55/11/563635511.db2.gz GWSKZFAOYXSVJF-PRHODGIISA-N 1 0 378.641 2.815 20 0 GFADRO C[C@@H]1NC(=O)N(CC[N@@H+]2CCC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)C1=O ZINC000333598650 563636820 /nfs/dbraw/zinc/63/68/20/563636820.db2.gz MDPLBFIJWYIWAU-AAEUAGOBSA-N 1 0 386.279 2.777 20 0 GFADRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)N[C@H]3CCN(c4ccc(Cl)cc4Cl)C3)C[C@@H]12 ZINC000333628426 563637222 /nfs/dbraw/zinc/63/72/22/563637222.db2.gz SLMKQEHGKLSSKJ-UZMCECQYSA-N 1 0 383.323 2.951 20 0 GFADRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)NCC3(c4ccccc4Br)CC3)C[C@H]12 ZINC000333685390 563639181 /nfs/dbraw/zinc/63/91/81/563639181.db2.gz ZZQLCIMCZWPKLZ-DVOMOZLQSA-N 1 0 378.314 2.859 20 0 GFADRO Brc1cccc2c1OCCC[C@H]2[NH2+][C@H]1CCc2nnnn2CC1 ZINC000333711977 563639866 /nfs/dbraw/zinc/63/98/66/563639866.db2.gz IMSLLUAWDPEPSJ-SMDDNHRTSA-N 1 0 378.274 2.644 20 0 GFADRO C[C@H]1CN(C(=O)Nc2cc(N(C)C)c(Br)cn2)C[C@H](C2CC2)O1 ZINC000333735308 563640358 /nfs/dbraw/zinc/64/03/58/563640358.db2.gz XETVSXJIDYXQRP-IINYFYTJSA-N 1 0 383.290 2.941 20 0 GFADRO CN(C)c1cc(NC(=O)N2CC(C)(C)[C@@H]3COC[C@@H]32)ncc1Br ZINC000333746215 563641294 /nfs/dbraw/zinc/64/12/94/563641294.db2.gz YUXXTRXMHMMBRF-MFKMUULPSA-N 1 0 383.290 2.799 20 0 GFADRO COC(=O)[C@H]1CSCC[N@H+](C[C@@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000412062841 563646645 /nfs/dbraw/zinc/64/66/45/563646645.db2.gz BSRUAMLEWMTDMT-DGCLKSJQSA-N 1 0 394.320 2.571 20 0 GFADRO CC(C)[N@@H+](CC(=O)N[C@@H](C)c1ccc(Br)cc1)C[C@H]1CCC(=O)N1 ZINC000412096914 563648306 /nfs/dbraw/zinc/64/83/06/563648306.db2.gz YSIHYYJLFUPPTM-XJKSGUPXSA-N 1 0 396.329 2.615 20 0 GFADRO C[NH+](C)CCCOc1cnccc1CNC(=O)c1ccc(Br)o1 ZINC000288634570 563650844 /nfs/dbraw/zinc/65/08/44/563650844.db2.gz BSDRCDVWFBQDKO-UHFFFAOYSA-N 1 0 382.258 2.698 20 0 GFADRO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1cc[nH]c(=O)c1Br ZINC000435579569 563653359 /nfs/dbraw/zinc/65/33/59/563653359.db2.gz PMQGHNNYORHIDU-UHFFFAOYSA-N 1 0 390.281 2.944 20 0 GFADRO CN(CC(=O)Nc1c(F)cc(F)cc1Br)[C@H]1CCC[NH2+]CC1 ZINC000435630273 563655796 /nfs/dbraw/zinc/65/57/96/563655796.db2.gz ZZRCOSVMXSBIBR-NSHDSACASA-N 1 0 376.245 2.740 20 0 GFADRO C[NH+](C)Cc1ccc(NC(=O)Cc2cc[nH]c(=O)c2Br)c(F)c1 ZINC000412555347 563661348 /nfs/dbraw/zinc/66/13/48/563661348.db2.gz BSSPBHNMQFMYPR-UHFFFAOYSA-N 1 0 382.233 2.932 20 0 GFADRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)NCCCn1cc(Br)cn1 ZINC000288913587 563661457 /nfs/dbraw/zinc/66/14/57/563661457.db2.gz WIPDZZBRBNAOHE-HNNXBMFYSA-N 1 0 386.338 2.552 20 0 GFADRO COc1cc[nH+]c(N2CCN(C(=O)c3ccc(Br)cc3O)CC2)c1 ZINC000436568754 563674212 /nfs/dbraw/zinc/67/42/12/563674212.db2.gz WIDPOFNBLYDIJN-UHFFFAOYSA-N 1 0 392.253 2.521 20 0 GFADRO C[C@@]1(C[C@H]2CCC[N@@H+]2Cc2csc(-c3cccs3)n2)NC(=O)NC1=O ZINC000289575489 563679481 /nfs/dbraw/zinc/67/94/81/563679481.db2.gz JRMANFGYALIYKL-PXAZEXFGSA-N 1 0 376.507 2.824 20 0 GFADRO O[C@@H]1[C@@H](C[NH2+]Cc2nc3ccccn3c2Br)CCC12CCOCC2 ZINC000289662420 563682200 /nfs/dbraw/zinc/68/22/00/563682200.db2.gz LZHGKPBLZLRBMF-CZUORRHYSA-N 1 0 394.313 2.754 20 0 GFADRO Cc1ccc(S(=O)(=O)NCC[NH2+][C@@H](C)c2ccc(Br)nc2)cc1 ZINC000289693911 563683471 /nfs/dbraw/zinc/68/34/71/563683471.db2.gz KCWFEWXZWGGBDD-ZDUSSCGKSA-N 1 0 398.326 2.782 20 0 GFADRO C[C@@]1(C[C@@H]2CCC[N@@H+]2Cc2cc(F)ccc2Br)NC(=O)NC1=O ZINC000289716031 563684388 /nfs/dbraw/zinc/68/43/88/563684388.db2.gz PCUMIXYUYPHMBO-LRDDRELGSA-N 1 0 384.249 2.541 20 0 GFADRO COc1ccc(C[C@@](C)(O)C[NH2+]Cc2cncc(Br)c2)cc1OC ZINC000289823423 563688135 /nfs/dbraw/zinc/68/81/35/563688135.db2.gz NSHNWVXKEPXGAE-GOSISDBHSA-N 1 0 395.297 2.945 20 0 GFADRO COc1cc(C[NH2+]C[C@H]2CCCN2c2cccnn2)c(Br)cc1O ZINC000360091180 563691376 /nfs/dbraw/zinc/69/13/76/563691376.db2.gz AUJAKHDVYOZWIJ-CYBMUJFWSA-N 1 0 393.285 2.712 20 0 GFADRO COCCC[N@@H+]1CCCN(C(=O)CCc2cccc(Br)c2)CC1 ZINC000360174734 563691473 /nfs/dbraw/zinc/69/14/73/563691473.db2.gz YWPUNPOUDYNXHA-UHFFFAOYSA-N 1 0 383.330 2.953 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)[C@H]1CC[NH2+][C@@H]1C(C)C ZINC000289949705 563692207 /nfs/dbraw/zinc/69/22/07/563692207.db2.gz MCQKGOIOTXFBOM-WMLDXEAASA-N 1 0 396.329 2.836 20 0 GFADRO C[NH+](C)CCN(Cc1cccs1)S(=O)(=O)N1CC[C@H]2CCCC[C@H]2C1 ZINC000437291045 563692518 /nfs/dbraw/zinc/69/25/18/563692518.db2.gz VRHIXSGNYUMKJA-SJORKVTESA-N 1 0 385.599 2.869 20 0 GFADRO O=C(CC[C@H]1CC[NH2+]C1)N1CCC[C@H]1C(=O)Nc1ccc(Br)cc1 ZINC000361224740 563697816 /nfs/dbraw/zinc/69/78/16/563697816.db2.gz WQBJZRCWZMPMIC-BBRMVZONSA-N 1 0 394.313 2.768 20 0 GFADRO Nc1ncccc1C[N@@H+]1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000290094086 563698266 /nfs/dbraw/zinc/69/82/66/563698266.db2.gz RMRRBJNMHYAFLZ-ZDUSSCGKSA-N 1 0 390.285 2.672 20 0 GFADRO O=C(CC[N@@H+]1CCSC[C@H]1c1cccs1)NC(=O)NCC(F)(F)F ZINC000361377934 563699062 /nfs/dbraw/zinc/69/90/62/563699062.db2.gz LLZADMQVLGSAIQ-JTQLQIEISA-N 1 0 381.445 2.616 20 0 GFADRO Cc1ccc(Br)c(CNC(=O)NC[C@@H](O)C[NH+]2CCC(C)CC2)c1 ZINC000413744696 563704430 /nfs/dbraw/zinc/70/44/30/563704430.db2.gz QHJQWQVWMZGGEF-MRXNPFEDSA-N 1 0 398.345 2.650 20 0 GFADRO O=C(c1cc(Br)cc(Br)c1)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000290340178 563705495 /nfs/dbraw/zinc/70/54/95/563705495.db2.gz HZRXLJLLTRYKOJ-MWLCHTKSSA-N 1 0 388.103 2.893 20 0 GFADRO Cc1cc(C(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)c(C)cc1Br ZINC000362378884 563706131 /nfs/dbraw/zinc/70/61/31/563706131.db2.gz DBDPQZVQSMPFKM-HNNXBMFYSA-N 1 0 394.357 2.964 20 0 GFADRO Brc1ccc2ncc(CN3CC[NH+]([C@H]4CCSC4)CC3)n2c1 ZINC000362334682 563706256 /nfs/dbraw/zinc/70/62/56/563706256.db2.gz IHLBCTUBTUWJTI-AWEZNQCLSA-N 1 0 381.343 2.720 20 0 GFADRO COCCN(C[C@@H](C)c1cccc(Br)c1)[C@H]1CCS(=O)(=O)C1 ZINC000290358242 563706418 /nfs/dbraw/zinc/70/64/18/563706418.db2.gz GQLFSRIKSSMKCY-CJNGLKHVSA-N 1 0 390.343 2.688 20 0 GFADRO CC[C@H]1CC[N@H+](CC(=O)N(C)CC(=O)Nc2ccc(Br)cc2C)C1 ZINC000438501727 563706643 /nfs/dbraw/zinc/70/66/43/563706643.db2.gz MEBGIOQGFLRJHS-AWEZNQCLSA-N 1 0 396.329 2.886 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2C(=O)c1ccc(Br)c(F)c1 ZINC000362796809 563709578 /nfs/dbraw/zinc/70/95/78/563709578.db2.gz KKKIOIXACGSZBZ-DAXOMENPSA-N 1 0 385.277 2.912 20 0 GFADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000362993082 563711576 /nfs/dbraw/zinc/71/15/76/563711576.db2.gz CQCZPSGPXHCLQL-WCXIOVBPSA-N 1 0 379.298 2.532 20 0 GFADRO COc1ccc(Br)c(CNC(=O)[C@H]([NH2+]C2CCOCC2)C(C)C)c1 ZINC000439032773 563716094 /nfs/dbraw/zinc/71/60/94/563716094.db2.gz HSIWZUUQFOHKGZ-QGZVFWFLSA-N 1 0 399.329 2.867 20 0 GFADRO CC[NH+](CC)CC[C@@H](CO)NC(=O)Nc1cc(OC)ccc1Br ZINC000439028242 563716255 /nfs/dbraw/zinc/71/62/55/563716255.db2.gz NKYFUULTWMBGKK-LBPRGKRZSA-N 1 0 388.306 2.672 20 0 GFADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)NC1(c2cccc(Br)c2)CC1 ZINC000363181288 563716745 /nfs/dbraw/zinc/71/67/45/563716745.db2.gz VULIVBBOUGGKIH-JKSUJKDBSA-N 1 0 394.313 2.601 20 0 GFADRO Cc1ccc(Br)cc1CNC(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000439070508 563716974 /nfs/dbraw/zinc/71/69/74/563716974.db2.gz NAVXIFUUCBNPDD-MRXNPFEDSA-N 1 0 386.359 2.994 20 0 GFADRO Cc1ccc(Br)cc1CNC(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000439070505 563716985 /nfs/dbraw/zinc/71/69/85/563716985.db2.gz NAVXIFUUCBNPDD-INIZCTEOSA-N 1 0 386.359 2.994 20 0 GFADRO COc1ccc(Cl)cc1NC(=O)CCN1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000363363868 563720207 /nfs/dbraw/zinc/72/02/07/563720207.db2.gz GPYFGRAVNYSWPC-OAHLLOKOSA-N 1 0 383.945 2.800 20 0 GFADRO C[C@@H](Cc1cnccn1)[NH2+]C[C@@H](CO)Cc1cc(F)cc(Br)c1 ZINC000414172345 563722057 /nfs/dbraw/zinc/72/20/57/563722057.db2.gz DXJUFQACKBOYGP-JSGCOSHPSA-N 1 0 382.277 2.750 20 0 GFADRO C[NH+](C)CC(C)(C)CN(C(=O)[C@@H]1CCOC1)c1ccc(Br)cn1 ZINC000439290910 563722349 /nfs/dbraw/zinc/72/23/49/563722349.db2.gz ATDXVSSKFSLDQR-CYBMUJFWSA-N 1 0 384.318 2.801 20 0 GFADRO CC[C@]1(CO)CCC[N@@H+]1C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000439291504 563722403 /nfs/dbraw/zinc/72/24/03/563722403.db2.gz DGDDAKFYNUOMKY-GOEBONIOSA-N 1 0 376.266 2.565 20 0 GFADRO C[C@H]1CC[N@H+](C)CCN1C(=O)C(=O)Nc1ccc(Cl)cc1Br ZINC000439359489 563723087 /nfs/dbraw/zinc/72/30/87/563723087.db2.gz OTYFFCGPQZDYBJ-JTQLQIEISA-N 1 0 388.693 2.594 20 0 GFADRO C[C@H]1C[N@@H+](C2CCN(C(=O)Cc3ccc(F)c(Br)c3)CC2)CCO1 ZINC000363431957 563723075 /nfs/dbraw/zinc/72/30/75/563723075.db2.gz BTXVWVCAYSCMIX-ZDUSSCGKSA-N 1 0 399.304 2.842 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+][C@@H]2CCCc3occc32)cc1Br ZINC000414267068 563724069 /nfs/dbraw/zinc/72/40/69/563724069.db2.gz IOOHFISZASQWPP-CYBMUJFWSA-N 1 0 385.283 2.857 20 0 GFADRO OCC[C@H]([NH2+]C[C@H](O)COc1cc(F)cc(Br)c1)c1ccco1 ZINC000439440025 563724503 /nfs/dbraw/zinc/72/45/03/563724503.db2.gz PHBHDMZRPMXCOS-ZFWWWQNUSA-N 1 0 388.233 2.634 20 0 GFADRO CC(C)(CC[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1)S(C)(=O)=O ZINC000414273033 563724783 /nfs/dbraw/zinc/72/47/83/563724783.db2.gz XZIGLSQTASVRNU-UHFFFAOYSA-N 1 0 386.945 2.748 20 0 GFADRO Cc1ccc(OCC[NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)cc1 ZINC000414272474 563724822 /nfs/dbraw/zinc/72/48/22/563724822.db2.gz XFADELVIQUQPAG-UHFFFAOYSA-N 1 0 399.310 2.574 20 0 GFADRO Cn1cncc1CNC(=O)NCc1cc(Br)ccc1OC(F)F ZINC000290891325 563724938 /nfs/dbraw/zinc/72/49/38/563724938.db2.gz UBYYKVFQQFCPRO-UHFFFAOYSA-N 1 0 389.200 2.783 20 0 GFADRO COCCC[N@H+](C)CCNCc1c(Br)cncc1Br ZINC000290908138 563725596 /nfs/dbraw/zinc/72/55/96/563725596.db2.gz OXLFFKDPTQSUIP-UHFFFAOYSA-N 1 0 395.139 2.665 20 0 GFADRO C[N@H+](CCc1ccncc1)C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000439442859 563725774 /nfs/dbraw/zinc/72/57/74/563725774.db2.gz VSHFMLVYDIRSBO-MRXNPFEDSA-N 1 0 383.261 2.897 20 0 GFADRO NC(=O)c1ccsc1NC(=O)CC[N@@H+]1CCS[C@H](c2ccccc2)C1 ZINC000363546886 563725875 /nfs/dbraw/zinc/72/58/75/563725875.db2.gz UZUHSZSZKADVSX-HNNXBMFYSA-N 1 0 375.519 2.966 20 0 GFADRO CC[C@H]1C[N@H+](CC(=O)N(C)CCOc2ccc(Br)cc2)CCCO1 ZINC000439474205 563726816 /nfs/dbraw/zinc/72/68/16/563726816.db2.gz XETSLTIORDDCDC-INIZCTEOSA-N 1 0 399.329 2.787 20 0 GFADRO CSC[C@@](C)(O)C[NH2+]Cc1c(Br)cncc1Br ZINC000290945445 563727172 /nfs/dbraw/zinc/72/71/72/563727172.db2.gz UKRUAWYUWQIERV-NSHDSACASA-N 1 0 384.137 2.810 20 0 GFADRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNCc2ccc(S(N)(=O)=O)c(Cl)c2)C1 ZINC000414329097 563727174 /nfs/dbraw/zinc/72/71/74/563727174.db2.gz ZIVFKCKPNXQWCT-ZIAGYGMSSA-N 1 0 387.977 2.834 20 0 GFADRO C[C@H](CC[S@](C)=O)[NH2+]Cc1c(Br)cncc1Br ZINC000290953381 563727342 /nfs/dbraw/zinc/72/73/42/563727342.db2.gz VIVQUQVNCJALMI-RBHXEPJQSA-N 1 0 384.137 2.853 20 0 GFADRO COc1cccc(O[C@@H](C)C[NH2+]Cc2ccc(S(N)(=O)=O)c(Cl)c2)c1 ZINC000414361326 563728978 /nfs/dbraw/zinc/72/89/78/563728978.db2.gz SIVNQLJJMRHBDV-LBPRGKRZSA-N 1 0 384.885 2.553 20 0 GFADRO CC[C@@H]([NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1)c1ccncc1 ZINC000414358603 563729042 /nfs/dbraw/zinc/72/90/42/563729042.db2.gz MFIFWKYBGVUKFF-CQSZACIVSA-N 1 0 384.299 2.732 20 0 GFADRO Cc1cc(N2CC[C@H]([NH2+]Cc3cc(F)cc(Br)c3)C2=O)n(C)n1 ZINC000439565987 563729181 /nfs/dbraw/zinc/72/91/81/563729181.db2.gz SQGREOOXEKIYQE-AWEZNQCLSA-N 1 0 381.249 2.525 20 0 GFADRO O=C(c1cc2c(cc(Br)cc2F)[nH]1)N1CCN([C@H]2CCOC2)CC1 ZINC000363709058 563730805 /nfs/dbraw/zinc/73/08/05/563730805.db2.gz KZNTUQCBDMFIOZ-LBPRGKRZSA-N 1 0 396.260 2.616 20 0 GFADRO Cc1cc(S(=O)(=O)N2CCN(C)c3cc[nH+]cc32)ccc1Br ZINC000439874234 563732562 /nfs/dbraw/zinc/73/25/62/563732562.db2.gz BKUQRJDRNCBRAI-UHFFFAOYSA-N 1 0 382.283 2.798 20 0 GFADRO C[N@H+](CCc1cccc(Br)c1)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000291145341 563732947 /nfs/dbraw/zinc/73/29/47/563732947.db2.gz DEOAFVUQOZLSKC-HNNXBMFYSA-N 1 0 389.359 2.595 20 0 GFADRO CC[C@H](C)[N@H+](C)CC(=O)N1CCN(Cc2ccc(Br)s2)CC1 ZINC000439951137 563733203 /nfs/dbraw/zinc/73/32/03/563733203.db2.gz QGRVMIJSNFCARQ-ZDUSSCGKSA-N 1 0 388.375 2.885 20 0 GFADRO CC(C)[NH+]1CCN([C@H]2CCN(C(=O)c3cc(F)cc(Br)c3)C2)CC1 ZINC000363940881 563737691 /nfs/dbraw/zinc/73/76/91/563737691.db2.gz QHSRRSPKJVCSQT-KRWDZBQOSA-N 1 0 398.320 2.829 20 0 GFADRO C[N@@H+]1CCC[C@H](CNS(=O)(=O)[C@H]2CCCOC2)[C@@H]1c1cccc(Cl)c1 ZINC000363973464 563738176 /nfs/dbraw/zinc/73/81/76/563738176.db2.gz OVZCNOGERYUYNJ-NJAFHUGGSA-N 1 0 386.945 2.821 20 0 GFADRO C[NH+](C)C/C=C/C(=O)N[C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000363972768 563738411 /nfs/dbraw/zinc/73/84/11/563738411.db2.gz XFYUWRQUBUUZFQ-PCAWENJQSA-N 1 0 376.810 2.567 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)N(C)CCC[NH+]1CCCC1 ZINC000440273991 563738599 /nfs/dbraw/zinc/73/85/99/563738599.db2.gz SRJLKGNBYYRGHF-UHFFFAOYSA-N 1 0 396.329 2.949 20 0 GFADRO Cc1cc(Br)cc(C)c1S(=O)(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000440356557 563739849 /nfs/dbraw/zinc/73/98/49/563739849.db2.gz OYGFFDZIIVQNOE-LBPRGKRZSA-N 1 0 375.332 2.814 20 0 GFADRO Cc1c(S(=O)(=O)N(CC[NH+](C)C)C2CC2)cnn1-c1ccc(Cl)cc1 ZINC000414458981 563739932 /nfs/dbraw/zinc/73/99/32/563739932.db2.gz IFPYKMNJQLITBG-UHFFFAOYSA-N 1 0 382.917 2.549 20 0 GFADRO CN(Cc1nc(Cl)ccc1Cl)C1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000364057077 563741757 /nfs/dbraw/zinc/74/17/57/563741757.db2.gz OVNVLAVTQDAMRG-UHFFFAOYSA-N 1 0 385.339 2.907 20 0 GFADRO O=S(=O)(c1cc(Br)ccc1Cl)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000440446552 563742269 /nfs/dbraw/zinc/74/22/69/563742269.db2.gz RDFNVFHIOWXVAR-LLVKDONJSA-N 1 0 379.707 2.618 20 0 GFADRO CC1(c2ccc(Br)cc2)CC[NH+](CCCN2C(=O)CNC2=O)CC1 ZINC000440490270 563743025 /nfs/dbraw/zinc/74/30/25/563743025.db2.gz GOSVNXQACBKFPO-UHFFFAOYSA-N 1 0 394.313 2.745 20 0 GFADRO COC[C@@](C)(CC(=O)OC)[NH2+]CC(=O)N(C)Cc1ccc(Cl)c(Cl)c1 ZINC000440556441 563744815 /nfs/dbraw/zinc/74/48/15/563744815.db2.gz LXPBUWMTEJNNGH-QGZVFWFLSA-N 1 0 391.295 2.510 20 0 GFADRO CC(C)(CC[NH2+]Cc1cc(Br)c2c(c1)OCCO2)S(C)(=O)=O ZINC000414513500 563745031 /nfs/dbraw/zinc/74/50/31/563745031.db2.gz GFYXNIQXOJACQJ-UHFFFAOYSA-N 1 0 392.315 2.523 20 0 GFADRO O=C(N1CCC[C@@H]1c1csc([C@H]2C[N@@H+]3CCC[C@H]3CO2)n1)C(F)(F)F ZINC000364287892 563748378 /nfs/dbraw/zinc/74/83/78/563748378.db2.gz GGCOLEQHZCZZIP-CYZMBNFOSA-N 1 0 375.416 2.905 20 0 GFADRO C[C@H]1CN(S(=O)(=O)c2cc(Cl)c(Br)cc2F)CC[C@@H]1[NH3+] ZINC000440758813 563749436 /nfs/dbraw/zinc/74/94/36/563749436.db2.gz WHHBLVPMHWGMJG-CPCISQLKSA-N 1 0 385.686 2.599 20 0 GFADRO Cc1cc(I)ccc1NC(=O)N[C@@H](CC[NH3+])C(F)F ZINC000414680330 563750034 /nfs/dbraw/zinc/75/00/34/563750034.db2.gz MUCUNVPHPOBHBU-JTQLQIEISA-N 1 0 383.180 2.704 20 0 GFADRO O=C(Nc1ccc(I)cc1)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000414685136 563750062 /nfs/dbraw/zinc/75/00/62/563750062.db2.gz YCVMZHVVANGCDH-UONOGXRCSA-N 1 0 385.249 2.801 20 0 GFADRO O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)Nc1cc(Cl)cc(Cl)c1 ZINC000414681410 563750128 /nfs/dbraw/zinc/75/01/28/563750128.db2.gz OZZJEINCIYKBQK-GFCCVEGCSA-N 1 0 385.217 2.951 20 0 GFADRO [NH3+]CC[C@H]1CCCN(S(=O)(=O)c2cc(Br)ccc2Cl)C1 ZINC000440810789 563750909 /nfs/dbraw/zinc/75/09/09/563750909.db2.gz WDYNZDOSBGEOMS-SNVBAGLBSA-N 1 0 381.723 2.852 20 0 GFADRO Cc1c(S(=O)(=O)NCC2(C)CC[NH2+]CC2)cnn1-c1ccc(Cl)cc1 ZINC000440837143 563751593 /nfs/dbraw/zinc/75/15/93/563751593.db2.gz ITBZMJBHOHSATD-UHFFFAOYSA-N 1 0 382.917 2.502 20 0 GFADRO CSCC[C@@H](C)N(C)C(=O)C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000414879632 563753886 /nfs/dbraw/zinc/75/38/86/563753886.db2.gz PKBLSKCZSICZJM-SNVBAGLBSA-N 1 0 377.432 2.703 20 0 GFADRO CC(C)[C@](C)(C[NH3+])NC(=O)Nc1cc(Br)ccc1N1CCOCC1 ZINC000414925680 563754214 /nfs/dbraw/zinc/75/42/14/563754214.db2.gz JATBNVQAHRPFPY-KRWDZBQOSA-N 1 0 399.333 2.781 20 0 GFADRO CCOC(=O)COc1c(Br)cc(C)cc1CN[C@@H]1CCC[NH2+][C@@H]1C ZINC000414951968 563755381 /nfs/dbraw/zinc/75/53/81/563755381.db2.gz JYXUHBGDLYUMTB-CZUORRHYSA-N 1 0 399.329 2.930 20 0 GFADRO O=C1NCCCN1C1CC[NH+](CCOc2ccc(Br)cc2)CC1 ZINC000441192744 563756243 /nfs/dbraw/zinc/75/62/43/563756243.db2.gz YAEXHWDRJFTGBP-UHFFFAOYSA-N 1 0 382.302 2.708 20 0 GFADRO O=C(CC[N@@H+]1CCC(F)(F)[C@@H](CO)C1)Nc1ccc(Br)cc1F ZINC000291743578 563756632 /nfs/dbraw/zinc/75/66/32/563756632.db2.gz KDCSSNXWYYJRSM-SNVBAGLBSA-N 1 0 395.219 2.866 20 0 GFADRO C[C@@H]1CN(Cc2ccc(Br)cc2N2CCOCC2)C[C@@]1(C)C[NH3+] ZINC000415055585 563757717 /nfs/dbraw/zinc/75/77/17/563757717.db2.gz NJGMRCZAAQPTGU-RDTXWAMCSA-N 1 0 382.346 2.702 20 0 GFADRO O=C(Nc1ccnn1Cc1cccc(Br)c1)[C@H]1C[C@]12CC[NH2+]C2 ZINC000364559378 563757725 /nfs/dbraw/zinc/75/77/25/563757725.db2.gz GQWJTHHJMWVEFW-PBHICJAKSA-N 1 0 375.270 2.632 20 0 GFADRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)S(=O)(=O)CCc1ccccc1Br ZINC000291774577 563757867 /nfs/dbraw/zinc/75/78/67/563757867.db2.gz WDVISUFXJRZSJC-CJNGLKHVSA-N 1 0 389.359 2.593 20 0 GFADRO COc1ccc(I)c(NC(=O)NC(C)(C)CCC[NH3+])c1 ZINC000415075717 563758465 /nfs/dbraw/zinc/75/84/65/563758465.db2.gz REFPSJBOJSERFE-UHFFFAOYSA-N 1 0 391.253 2.939 20 0 GFADRO COc1ccc(I)c(NC(=O)N2C[C@H](C)[NH2+]C[C@@H]2C)c1 ZINC000415075108 563758685 /nfs/dbraw/zinc/75/86/85/563758685.db2.gz QBRNWHKKHLADMJ-UWVGGRQHSA-N 1 0 389.237 2.514 20 0 GFADRO CSCCCCCNC(=O)C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000415111409 563759726 /nfs/dbraw/zinc/75/97/26/563759726.db2.gz BUTFSKJVGWGZEW-UHFFFAOYSA-N 1 0 377.432 2.752 20 0 GFADRO CC[N@@H+]1CCC[C@@H](CN(C)C(=O)[C@@H]2CSCCS2)[C@@H]1c1cnn(C)c1 ZINC000364656589 563760706 /nfs/dbraw/zinc/76/07/06/563760706.db2.gz AMPZTXBPSVEJBY-BHYGNILZSA-N 1 0 382.599 2.500 20 0 GFADRO O=C1N[C@@H]2CN(Cc3ccc(Cl)c(Cl)c3)CC[C@H]2N1C1CC[NH2+]CC1 ZINC000415146151 563761045 /nfs/dbraw/zinc/76/10/45/563761045.db2.gz YJICJYWXUODLLN-IAGOWNOFSA-N 1 0 383.323 2.714 20 0 GFADRO CC[C@H](CSC)N(C)C(=O)C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000415154981 563761096 /nfs/dbraw/zinc/76/10/96/563761096.db2.gz KRAYRNDOUCNDFY-CYBMUJFWSA-N 1 0 377.432 2.703 20 0 GFADRO O=C1N[C@H]2CN(Cc3cccc(Cl)c3Cl)CC[C@@H]2N1C1CC[NH2+]CC1 ZINC000415142374 563761346 /nfs/dbraw/zinc/76/13/46/563761346.db2.gz RHODCARICUSXPC-HOTGVXAUSA-N 1 0 383.323 2.714 20 0 GFADRO Cc1[nH]c(=S)sc1CC(=O)N(C)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000364705891 563761795 /nfs/dbraw/zinc/76/17/95/563761795.db2.gz MXVFGTYYPPSRIG-YOEHRIQHSA-N 1 0 376.551 2.829 20 0 GFADRO CN(C(=O)Nc1cc(F)c(F)cc1I)[C@@H](C[NH3+])C1CC1 ZINC000415240779 563763764 /nfs/dbraw/zinc/76/37/64/563763764.db2.gz QWLKWWMHINRUBC-LBPRGKRZSA-N 1 0 395.191 2.770 20 0 GFADRO [NH3+]CC1(NC(=O)Nc2ccc(F)cc2I)CCCC1 ZINC000415250544 563764393 /nfs/dbraw/zinc/76/43/93/563764393.db2.gz LWBHAALXICOZPF-UHFFFAOYSA-N 1 0 377.201 2.823 20 0 GFADRO COc1cc(NC(=O)N2C[C@@H](C[NH3+])C3(C2)CCOCC3)ccc1Br ZINC000415263472 563764781 /nfs/dbraw/zinc/76/47/81/563764781.db2.gz JVAALKIQVPTHOQ-GFCCVEGCSA-N 1 0 398.301 2.677 20 0 GFADRO C[NH2+]C[C@H](C)CNC(=O)Nc1ccc(Cl)cc1I ZINC000415281503 563765341 /nfs/dbraw/zinc/76/53/41/563765341.db2.gz IVMSIRKSWAHBOV-QMMMGPOBSA-N 1 0 381.645 2.922 20 0 GFADRO Cc1ccc(-c2csc(NC(=O)C(=O)NCC3([NH3+])CCCCC3)n2)s1 ZINC000415290707 563765568 /nfs/dbraw/zinc/76/55/68/563765568.db2.gz HRXKZERGZYCGMS-UHFFFAOYSA-N 1 0 378.523 2.896 20 0 GFADRO O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000441967417 563766062 /nfs/dbraw/zinc/76/60/62/563766062.db2.gz GGSLXZDYEBCNMF-SNVBAGLBSA-N 1 0 375.778 2.650 20 0 GFADRO Cc1ccc(NC(=O)C(=O)NCC2([NH3+])CCCCCC2)cc1Br ZINC000415317272 563766929 /nfs/dbraw/zinc/76/69/29/563766929.db2.gz PNQXRFLDXFFZFY-UHFFFAOYSA-N 1 0 382.302 2.864 20 0 GFADRO O=C(NC[C@@H]1CCC[NH2+]C1)C(=O)Nc1ccc(Br)c2ccccc12 ZINC000415333239 563767401 /nfs/dbraw/zinc/76/74/01/563767401.db2.gz OITPWKQMHNMQOM-GFCCVEGCSA-N 1 0 390.281 2.657 20 0 GFADRO COC(=O)c1cc(Br)ccc1NC(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000415325480 563767431 /nfs/dbraw/zinc/76/74/31/563767431.db2.gz GCWGHLKUFKLVCM-LLVKDONJSA-N 1 0 384.274 2.747 20 0 GFADRO COC(=O)C[C@@H](NC(=O)CC[C@H]1CCC[NH2+]1)c1cccc(Br)c1 ZINC000291998073 563768130 /nfs/dbraw/zinc/76/81/30/563768130.db2.gz BWQUKBCPGYXNCE-HUUCEWRRSA-N 1 0 383.286 2.702 20 0 GFADRO CCOC(=O)c1cc(Br)ccc1NC(=O)N1C[C@H](C)[NH2+]C[C@H]1C ZINC000415353443 563769276 /nfs/dbraw/zinc/76/92/76/563769276.db2.gz QSODRPSZMXEOAZ-WDEREUQCSA-N 1 0 384.274 2.840 20 0 GFADRO C[NH2+]C[C@H]1CCCN1C(=O)Nc1cccc(F)c1I ZINC000415353727 563769371 /nfs/dbraw/zinc/76/93/71/563769371.db2.gz CXVHIUATFGLQBS-SECBINFHSA-N 1 0 377.201 2.646 20 0 GFADRO C[C@H](NC(=O)C(=O)Nc1ccc(Cl)cc1C(F)(F)F)[C@H]1CCC[NH2+]C1 ZINC000415350006 563769497 /nfs/dbraw/zinc/76/94/97/563769497.db2.gz HPCWVWDFXPWLHT-UWVGGRQHSA-N 1 0 377.794 2.802 20 0 GFADRO C[C@@]1(C[NH3+])CCN(C(=O)Nc2cnn(-c3ccccc3Br)c2)C1 ZINC000415354616 563769894 /nfs/dbraw/zinc/76/98/94/563769894.db2.gz NSIXCJHEMFLFFR-INIZCTEOSA-N 1 0 378.274 2.837 20 0 GFADRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)Nc1cnn(-c2ccccc2Br)c1 ZINC000415355942 563770103 /nfs/dbraw/zinc/77/01/03/563770103.db2.gz PSRUTBYICXRPCX-BXUZGUMPSA-N 1 0 378.274 2.754 20 0 GFADRO C[NH2+]CCN(C)C(=O)Nc1c(C)c(C)nn1-c1ccc(Br)cc1 ZINC000415362836 563770690 /nfs/dbraw/zinc/77/06/90/563770690.db2.gz QPKIQNDCPVZMCO-UHFFFAOYSA-N 1 0 380.290 2.935 20 0 GFADRO Cc1cc(Br)cc(Cl)c1NC(=O)C(=O)NC1CCC([NH3+])CC1 ZINC000415361686 563770749 /nfs/dbraw/zinc/77/07/49/563770749.db2.gz UQQQRASHWXNZJJ-UHFFFAOYSA-N 1 0 388.693 2.736 20 0 GFADRO Cc1nn(C)c(NC(=O)NC[C@@H](C)C[NH3+])c1-c1ccc(Br)cc1 ZINC000415360359 563770753 /nfs/dbraw/zinc/77/07/53/563770753.db2.gz LWAVIGVKZZTANG-JTQLQIEISA-N 1 0 380.290 2.874 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)Nc2ccc(OC(F)(F)F)cc2Br)CCO1 ZINC000415366880 563771360 /nfs/dbraw/zinc/77/13/60/563771360.db2.gz XEQXEMAACIILOP-VIFPVBQESA-N 1 0 398.179 2.539 20 0 GFADRO [NH3+][C@@H]1CN(C(=O)Nc2ccncc2Br)CC[C@H]1c1ccc(F)cc1 ZINC000415386404 563772110 /nfs/dbraw/zinc/77/21/10/563772110.db2.gz PCJKRYLUVUZEFE-DZGCQCFKSA-N 1 0 393.260 2.754 20 0 GFADRO C[C@H]([NH3+])C1CCN(C(=O)C(=O)Nc2ccc(Cl)cc2Br)CC1 ZINC000415404417 563773017 /nfs/dbraw/zinc/77/30/17/563773017.db2.gz XXOMIVLDOHBAOA-VIFPVBQESA-N 1 0 388.693 2.627 20 0 GFADRO O=C(NCC[C@H]1CCC[NH2+]C1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000415406065 563773128 /nfs/dbraw/zinc/77/31/28/563773128.db2.gz DFKXKOFBZVMBMD-SNVBAGLBSA-N 1 0 377.794 2.803 20 0 GFADRO COCCOc1c(Cl)cc(NC(=O)NC[C@@H]2C[NH2+]CCCO2)cc1Cl ZINC000415408932 563773600 /nfs/dbraw/zinc/77/36/00/563773600.db2.gz RQJCCVFYKOZMSP-LBPRGKRZSA-N 1 0 392.283 2.519 20 0 GFADRO O=C(NCC[C@H]1CCC[NH2+]C1)C(=O)Nc1cc(Cl)ccc1C(F)(F)F ZINC000415408736 563773705 /nfs/dbraw/zinc/77/37/05/563773705.db2.gz HMBVQNOIRQAIKI-SNVBAGLBSA-N 1 0 377.794 2.803 20 0 GFADRO C[NH2+]C[C@H]1CCCN1C(=O)Nc1cc(Br)ccc1OCCOC ZINC000415424184 563774332 /nfs/dbraw/zinc/77/43/32/563774332.db2.gz IDOSHJLYPOGVML-CYBMUJFWSA-N 1 0 386.290 2.690 20 0 GFADRO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)Nc1cccc(Cl)c1Br ZINC000415424362 563774423 /nfs/dbraw/zinc/77/44/23/563774423.db2.gz ILXQUFUBKPQTGR-VIFPVBQESA-N 1 0 376.682 2.531 20 0 GFADRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)Nc1ccc(S(C)(=O)=O)c(C(F)F)c1 ZINC000415425600 563774941 /nfs/dbraw/zinc/77/49/41/563774941.db2.gz CTDIWRIZPCBTGX-ZDUSSCGKSA-N 1 0 377.457 2.865 20 0 GFADRO COCCOc1ccc(Br)cc1NC(=O)N1C[C@@H](C[NH3+])C[C@H]1C ZINC000415435620 563775690 /nfs/dbraw/zinc/77/56/90/563775690.db2.gz ZOZQFXGISZIREL-VXGBXAGGSA-N 1 0 386.290 2.675 20 0 GFADRO [NH3+]C[C@H](NC(=O)C(=O)Nc1ccc(F)cc1Br)C1CCCCC1 ZINC000415435776 563775760 /nfs/dbraw/zinc/77/57/60/563775760.db2.gz ZXIKQZUVJACJNY-AWEZNQCLSA-N 1 0 386.265 2.551 20 0 GFADRO Cc1ccc(-c2csc(NC(=O)C(=O)N3CCC[C@H]([C@H](C)[NH3+])C3)n2)s1 ZINC000415450665 563776188 /nfs/dbraw/zinc/77/61/88/563776188.db2.gz RXQLCJYKBCWXJF-RYUDHWBXSA-N 1 0 378.523 2.704 20 0 GFADRO CCOCCOc1ccc(Br)cc1NC(=O)N1CC[C@@H](C[NH3+])C1 ZINC000415440007 563776500 /nfs/dbraw/zinc/77/65/00/563776500.db2.gz FBJBIJVGSFQSPC-LBPRGKRZSA-N 1 0 386.290 2.677 20 0 GFADRO COC(=O)c1cc(Br)c(F)cc1NC(=O)N(C)CC(C)(C)C[NH3+] ZINC000415464953 563776846 /nfs/dbraw/zinc/77/68/46/563776846.db2.gz DQSOVINQKWWTQL-UHFFFAOYSA-N 1 0 390.253 2.823 20 0 GFADRO C[NH2+][C@H]1CCCN(C(=O)Nc2cc(F)c(Br)cc2C(=O)OC)C1 ZINC000415464961 563776977 /nfs/dbraw/zinc/77/69/77/563776977.db2.gz DRJFYXKRNCQFDW-VIFPVBQESA-N 1 0 388.237 2.591 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(C(F)(F)F)cc2Cl)C1 ZINC000415458638 563777107 /nfs/dbraw/zinc/77/71/07/563777107.db2.gz YQSPGWBXCRAIPN-VHSXEESVSA-N 1 0 377.794 2.883 20 0 GFADRO COC(=O)c1cc(Br)c(F)cc1NC(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000415472913 563777604 /nfs/dbraw/zinc/77/76/04/563777604.db2.gz ZTFQBCXVIWMQLG-QPUJVOFHSA-N 1 0 388.237 2.576 20 0 GFADRO CCC(CC)(C[NH3+])NC(=O)Nc1cc(Br)cnc1-n1cccn1 ZINC000415476301 563778404 /nfs/dbraw/zinc/77/84/04/563778404.db2.gz BMQXDCFIBMYWPL-UHFFFAOYSA-N 1 0 381.278 2.669 20 0 GFADRO Cc1nc2cc(Cl)c(NC(=O)C(=O)N3CC[C@H]4CC[C@@H](C3)[NH2+]4)cc2s1 ZINC000415490164 563778933 /nfs/dbraw/zinc/77/89/33/563778933.db2.gz VMXCTFPQKCAFLL-MNOVXSKESA-N 1 0 378.885 2.550 20 0 GFADRO CN(C(=O)Nc1nnc(-c2cccc(Br)c2)s1)[C@@H](C[NH3+])C1CC1 ZINC000415493947 563779006 /nfs/dbraw/zinc/77/90/06/563779006.db2.gz CMYNIJKDXCIUBQ-LBPRGKRZSA-N 1 0 396.314 3.169 20 0 GFADRO Cc1cc(NC(=O)C(=O)N(C)CC[C@@H]([NH3+])C(C)C)c(F)cc1Br ZINC000415494930 563779050 /nfs/dbraw/zinc/77/90/50/563779050.db2.gz WJMAKXQALKPLOY-CYBMUJFWSA-N 1 0 388.281 2.667 20 0 GFADRO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)Nc1c(C)cc(Br)cc1Cl ZINC000415490365 563779067 /nfs/dbraw/zinc/77/90/67/563779067.db2.gz YEDPHIPTBBUFAM-LLVKDONJSA-N 1 0 388.693 2.560 20 0 GFADRO CCOc1c(Cl)cc(NC(=O)C(=O)NCC([NH3+])(CC)CC)cc1Cl ZINC000415496019 563779419 /nfs/dbraw/zinc/77/94/19/563779419.db2.gz RTWCGXVROIRUAG-UHFFFAOYSA-N 1 0 376.284 2.964 20 0 GFADRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)Nc1nnc(-c2cccc(Br)c2)s1 ZINC000415498582 563779523 /nfs/dbraw/zinc/77/95/23/563779523.db2.gz JWBTZNIDTUQNLL-NXEZZACHSA-N 1 0 396.314 3.169 20 0 GFADRO Cc1c(I)cccc1C(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000292253164 563780075 /nfs/dbraw/zinc/78/00/75/563780075.db2.gz OZZCJPDUDUFRNK-MRXNPFEDSA-N 1 0 384.261 2.767 20 0 GFADRO Cc1ccc(I)cc1NC(=O)N[C@H](CC[NH3+])C(F)F ZINC000415504691 563780111 /nfs/dbraw/zinc/78/01/11/563780111.db2.gz HCETXQWIMJDQMJ-SECBINFHSA-N 1 0 383.180 2.704 20 0 GFADRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)Nc2nnc(-c3cccc(Br)c3)s2)C1 ZINC000415508388 563780413 /nfs/dbraw/zinc/78/04/13/563780413.db2.gz XVOQQZRHVMYZTH-BXKDBHETSA-N 1 0 396.314 3.217 20 0 GFADRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)Nc1nnc(-c2cccc(Br)c2)s1 ZINC000415503746 563780451 /nfs/dbraw/zinc/78/04/51/563780451.db2.gz SBHCWXIALHTOGA-CABZTGNLSA-N 1 0 396.314 3.087 20 0 GFADRO COCCSCCC[N@@H+]1CCCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000365363683 563780672 /nfs/dbraw/zinc/78/06/72/563780672.db2.gz PMMBWKVLQFTZAD-UHFFFAOYSA-N 1 0 384.493 2.839 20 0 GFADRO C[C@H](C[NH3+])CNC(=O)C(=O)Nc1cc(Cl)ccc1SCC(F)(F)F ZINC000415514548 563780825 /nfs/dbraw/zinc/78/08/25/563780825.db2.gz ZVVYSVDFMPLPRJ-MRVPVSSYSA-N 1 0 383.823 2.644 20 0 GFADRO Cc1cc(Br)cc(NC(=O)N2C[C@H](C[NH3+])C3(C2)CCOCC3)c1 ZINC000415522417 563781375 /nfs/dbraw/zinc/78/13/75/563781375.db2.gz DMQYRSCWASLRGP-ZDUSSCGKSA-N 1 0 382.302 2.977 20 0 GFADRO Cc1cc(NC(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)ccc1Br ZINC000415522091 563781517 /nfs/dbraw/zinc/78/15/17/563781517.db2.gz PYZMUBJHVKSTRY-INIZCTEOSA-N 1 0 394.313 2.687 20 0 GFADRO CS(=O)(=O)N1CC(C[NH2+][C@H]2CC[C@H](c3ccc(C(F)(F)F)cc3)C2)C1 ZINC000442850525 563782149 /nfs/dbraw/zinc/78/21/49/563782149.db2.gz IIFSHALJZFKOJS-HOCLYGCPSA-N 1 0 376.444 2.823 20 0 GFADRO [NH3+]C[C@H]1CCN(C(=O)Nc2ccnn2Cc2cccc(Br)c2)C1 ZINC000415526693 563782537 /nfs/dbraw/zinc/78/25/37/563782537.db2.gz JMJGOCSYZRTSCP-CYBMUJFWSA-N 1 0 378.274 2.506 20 0 GFADRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)Nc1ccnn1Cc1ccc(Br)cc1 ZINC000415526632 563782634 /nfs/dbraw/zinc/78/26/34/563782634.db2.gz JYCXBZGMBGJAGW-IUODEOHRSA-N 1 0 392.301 2.813 20 0 GFADRO CC[NH2+]CCNC(=O)Nc1nc2ccc(I)cc2s1 ZINC000415530790 563783377 /nfs/dbraw/zinc/78/33/77/563783377.db2.gz UABJSSFYEVXNIU-UHFFFAOYSA-N 1 0 390.250 2.632 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1Br ZINC000415545013 563783928 /nfs/dbraw/zinc/78/39/28/563783928.db2.gz VJPAJRYATFEMTA-PBWFPOADSA-N 1 0 394.313 2.746 20 0 GFADRO C[NH2+]CCC1CCN(C(=O)C(=O)Nc2cccc(Br)c2C)CC1 ZINC000415550210 563784417 /nfs/dbraw/zinc/78/44/17/563784417.db2.gz MAMFWKYALBQKFH-UHFFFAOYSA-N 1 0 382.302 2.544 20 0 GFADRO COC[C@@H](C)Oc1ccc(Cl)cc1NC(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000415563577 563784572 /nfs/dbraw/zinc/78/45/72/563784572.db2.gz PLONQYCWNWFNKT-YGRLFVJLSA-N 1 0 377.819 2.872 20 0 GFADRO COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000415588127 563785491 /nfs/dbraw/zinc/78/54/91/563785491.db2.gz XFXITWBAODPSPE-CWSCBRNRSA-N 1 0 386.279 2.526 20 0 GFADRO Cc1cc(Cl)cc(NC(=O)C(=O)N2CC[C@@H]([C@@H](C)[NH3+])C2)c1Br ZINC000415581844 563785552 /nfs/dbraw/zinc/78/55/52/563785552.db2.gz SXZHJCRLBDAYJO-NXEZZACHSA-N 1 0 388.693 2.545 20 0 GFADRO COC(=O)c1cc(NC(=O)N2CC[C@@](C)(C[NH3+])C2)cc(Br)c1F ZINC000415595076 563786290 /nfs/dbraw/zinc/78/62/90/563786290.db2.gz AIZRNDDXBKAOSR-HNNXBMFYSA-N 1 0 388.237 2.577 20 0 GFADRO COC(=O)c1c(Br)ccc(NC(=O)N[C@H]2CC[NH2+][C@H](C)C2)c1C ZINC000415597337 563786337 /nfs/dbraw/zinc/78/63/37/563786337.db2.gz JGVAAQYOBNVSCJ-KOLCDFICSA-N 1 0 384.274 2.806 20 0 GFADRO O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000415594447 563786458 /nfs/dbraw/zinc/78/64/58/563786458.db2.gz KROHREIMXPMPRR-HNNXBMFYSA-N 1 0 375.778 2.509 20 0 GFADRO COC(=O)c1cccc(NC(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c1Br ZINC000415595187 563786498 /nfs/dbraw/zinc/78/64/98/563786498.db2.gz ANNNMDMDLRLVLH-QJPTWQEYSA-N 1 0 396.285 2.745 20 0 GFADRO COc1ccc(NC(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)c(I)c1 ZINC000415602854 563787033 /nfs/dbraw/zinc/78/70/33/563787033.db2.gz YUPKINJRHDJRKN-NXEZZACHSA-N 1 0 389.237 2.549 20 0 GFADRO COC(=O)c1c(Br)ccc(NC(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1C ZINC000415604229 563787428 /nfs/dbraw/zinc/78/74/28/563787428.db2.gz VHCFDBPZSRTRAH-RISCZKNCSA-N 1 0 396.285 2.760 20 0 GFADRO COC(=O)c1cccc(NC(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)c1Br ZINC000415607988 563787546 /nfs/dbraw/zinc/78/75/46/563787546.db2.gz LCWWRMURCIIGLH-GHMZBOCLSA-N 1 0 384.274 2.827 20 0 GFADRO CO[C@@H]1CCN(C(=O)Nc2cc3c(cc2Br)CCC3)[C@@H](C[NH3+])C1 ZINC000415615482 563787982 /nfs/dbraw/zinc/78/79/82/563787982.db2.gz OKVODWIWPYLANW-ZIAGYGMSSA-N 1 0 382.302 2.908 20 0 GFADRO COC(=O)c1cccc(NC(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)c1Br ZINC000415614597 563788180 /nfs/dbraw/zinc/78/81/80/563788180.db2.gz PKZCNIBDSVZRAM-LLVKDONJSA-N 1 0 382.258 2.594 20 0 GFADRO COC(=O)c1ccc(Cl)cc1S(=O)(=O)NCC[N@H+](C)C1CCCCC1 ZINC000443028073 563788542 /nfs/dbraw/zinc/78/85/42/563788542.db2.gz DONDHFROKVYLKE-UHFFFAOYSA-N 1 0 388.917 2.669 20 0 GFADRO COC(=O)c1cc(F)c(Br)cc1NC(=O)NCCC[NH2+]C1CC1 ZINC000415632215 563789292 /nfs/dbraw/zinc/78/92/92/563789292.db2.gz SKXJFUXQQFASIQ-UHFFFAOYSA-N 1 0 388.237 2.638 20 0 GFADRO COC(=O)c1cc(F)c(Br)cc1NC(=O)N[C@@](C)(C[NH3+])C(C)C ZINC000415632224 563789356 /nfs/dbraw/zinc/78/93/56/563789356.db2.gz SMSLLVATLPOUMR-HNNXBMFYSA-N 1 0 390.253 2.870 20 0 GFADRO COC(=O)c1cc(F)c(Br)cc1NC(=O)N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000415632770 563789388 /nfs/dbraw/zinc/78/93/88/563789388.db2.gz WZPJLOOIBVQDJX-DTWKUNHWSA-N 1 0 388.237 2.576 20 0 GFADRO CCC([NH3+])(CC)CNC(=O)Nc1ccnn1-c1ccc(Br)cn1 ZINC000415636820 563789440 /nfs/dbraw/zinc/78/94/40/563789440.db2.gz LPQYOBTUYQTNNF-UHFFFAOYSA-N 1 0 381.278 2.669 20 0 GFADRO Cc1cc(Cl)cc(NC(=O)C(=O)N[C@H]2CCC[C@H]([NH3+])C2)c1Br ZINC000415642669 563790056 /nfs/dbraw/zinc/79/00/56/563790056.db2.gz IDMCFLAAMZPJMY-QWRGUYRKSA-N 1 0 388.693 2.736 20 0 GFADRO Cc1c(Br)cccc1NC(=O)C(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000415669038 563790742 /nfs/dbraw/zinc/79/07/42/563790742.db2.gz AXPFBNLLPDCNOC-AWEZNQCLSA-N 1 0 382.302 2.590 20 0 GFADRO Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000292605720 563791569 /nfs/dbraw/zinc/79/15/69/563791569.db2.gz UAUMGGNMZSGUMN-NEPJUHHUSA-N 1 0 378.826 2.806 20 0 GFADRO COC(=O)c1ccc(Cl)cc1S(=O)(=O)NC[C@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000443103226 563791916 /nfs/dbraw/zinc/79/19/16/563791916.db2.gz KIPPNCXEWSQIHT-STQMWFEESA-N 1 0 388.917 2.668 20 0 GFADRO COC(=O)c1ccc(Cl)cc1S(=O)(=O)NC[C@@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000443103225 563791995 /nfs/dbraw/zinc/79/19/95/563791995.db2.gz KIPPNCXEWSQIHT-QWHCGFSZSA-N 1 0 388.917 2.668 20 0 GFADRO Cc1cc(I)cc(NC(=O)N2CC[C@]3(CC[NH2+]C3)C2)c1 ZINC000415707804 563792587 /nfs/dbraw/zinc/79/25/87/563792587.db2.gz KKAMGVAXAYAXQU-HNNXBMFYSA-N 1 0 385.249 2.817 20 0 GFADRO O=S1(=O)CC[C@@H]([NH2+]C2CCN(Cc3csc(-c4ccsc4)n3)CC2)C1 ZINC000365777135 563792905 /nfs/dbraw/zinc/79/29/05/563792905.db2.gz LSANAAPWYAXSDA-OAHLLOKOSA-N 1 0 397.591 2.613 20 0 GFADRO C[N@@H+]1CC[C@@]2(CCN(C(=O)c3ccc(F)cc3I)C2)C1 ZINC000292658036 563793114 /nfs/dbraw/zinc/79/31/14/563793114.db2.gz YHAQDZVJNKIAMX-OAHLLOKOSA-N 1 0 388.224 2.598 20 0 GFADRO CO[C@@H]1CCN(C(=O)Nc2ccc(Cl)cc2OCC(F)F)[C@H](C[NH3+])C1 ZINC000415731281 563793167 /nfs/dbraw/zinc/79/31/67/563793167.db2.gz VAXAXVROZVFYMD-NWDGAFQWSA-N 1 0 377.819 2.954 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)cc1Br ZINC000415726725 563793192 /nfs/dbraw/zinc/79/31/92/563793192.db2.gz OTJBXQOEBCCLTK-HDJSIYSDSA-N 1 0 396.329 2.886 20 0 GFADRO CC[C@@H](NC(=O)CCNC(=O)Nc1ccc(Br)cc1)c1ncc[nH]1 ZINC000443135639 563793264 /nfs/dbraw/zinc/79/32/64/563793264.db2.gz QRUXXNMASMLRRB-CYBMUJFWSA-N 1 0 394.273 2.951 20 0 GFADRO COC(=O)c1cc(NC(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)c(C)cc1Br ZINC000415715856 563793430 /nfs/dbraw/zinc/79/34/30/563793430.db2.gz ZJQXQDJKJCKERP-GXFFZTMASA-N 1 0 384.274 2.664 20 0 GFADRO COc1c(Cl)cc(NC(=O)C(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)cc1Cl ZINC000415744839 563793708 /nfs/dbraw/zinc/79/37/08/563793708.db2.gz PSXYXKWGDIYZJO-XYPYZODXSA-N 1 0 388.295 2.822 20 0 GFADRO C[C@H](CCCC[NH3+])NC(=O)C(=O)Nc1ccc(Cl)cc1Br ZINC000415749088 563793998 /nfs/dbraw/zinc/79/39/98/563793998.db2.gz ZWYZKWGTUPIYAZ-SECBINFHSA-N 1 0 376.682 2.675 20 0 GFADRO C[C@H]1CCCN(C(=O)Nc2ccn(-c3ccc(Br)cc3)n2)[C@@H]1C[NH3+] ZINC000415752656 563794641 /nfs/dbraw/zinc/79/46/41/563794641.db2.gz FCEOYRKPHZMIQD-SWLSCSKDSA-N 1 0 392.301 3.226 20 0 GFADRO CCSc1cccc(Br)c1NC(=O)NCC[NH2+]CCOC ZINC000415764100 563794977 /nfs/dbraw/zinc/79/49/77/563794977.db2.gz PDHGAWVQDYNJEM-UHFFFAOYSA-N 1 0 376.320 2.919 20 0 GFADRO COc1cc(I)ccc1NC(=O)N[C@@H]1CC[NH2+]C1(C)C ZINC000415772849 563795677 /nfs/dbraw/zinc/79/56/77/563795677.db2.gz LBBGLDTWWIJTOO-GFCCVEGCSA-N 1 0 389.237 2.562 20 0 GFADRO COc1cc(I)ccc1NC(=O)NC1(C[NH3+])CCCC1 ZINC000415776692 563796414 /nfs/dbraw/zinc/79/64/14/563796414.db2.gz XNXWKFRKDZSUDY-UHFFFAOYSA-N 1 0 389.237 2.693 20 0 GFADRO Cn1cc(Br)c(C(=O)NCC2CC[NH+](Cc3cccs3)CC2)n1 ZINC000292830689 563796522 /nfs/dbraw/zinc/79/65/22/563796522.db2.gz YUBLVTBJRBBZAH-UHFFFAOYSA-N 1 0 397.342 2.886 20 0 GFADRO O=C(NCCC[C@@H]1CCC[NH2+]1)C(=O)Nc1cc(Cl)cc(Br)c1 ZINC000415803929 563797007 /nfs/dbraw/zinc/79/70/07/563797007.db2.gz KOEDOAWKRQKSEA-LBPRGKRZSA-N 1 0 388.693 2.689 20 0 GFADRO CN(Cc1ccccc1Br)C(=O)CN1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000292950665 563797203 /nfs/dbraw/zinc/79/72/03/563797203.db2.gz KOPIPIBQVYZZOD-IBGZPJMESA-N 1 0 394.357 2.825 20 0 GFADRO Cc1ccc(-c2csc(NC(=O)C(=O)NCCC[C@@H]3CCC[NH2+]3)n2)s1 ZINC000415811237 563797412 /nfs/dbraw/zinc/79/74/12/563797412.db2.gz YHGDZZGQCPUXHY-LBPRGKRZSA-N 1 0 378.523 2.767 20 0 GFADRO O=C(NCCC[C@H]1CCC[NH2+]1)C(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000415809178 563797466 /nfs/dbraw/zinc/79/74/66/563797466.db2.gz URDNGROIWOGDBA-LLVKDONJSA-N 1 0 377.794 2.946 20 0 GFADRO Cc1cc(NC(=O)C(=O)NCCC[C@@H]2CCC[NH2+]2)cc(C)c1Br ZINC000415806499 563797610 /nfs/dbraw/zinc/79/76/10/563797610.db2.gz OYPUGNSUHNLNJS-ZDUSSCGKSA-N 1 0 382.302 2.653 20 0 GFADRO O=C(NCCC[C@@H]1CCC[NH2+]1)C(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000415810943 563797763 /nfs/dbraw/zinc/79/77/63/563797763.db2.gz YDNMOUGSBPWQNB-JTQLQIEISA-N 1 0 375.803 2.528 20 0 GFADRO Cc1cc(NC(=O)C(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)cc(C)c1Br ZINC000415814159 563797789 /nfs/dbraw/zinc/79/77/89/563797789.db2.gz QZQZGQCEKLQCBM-OLZOCXBDSA-N 1 0 382.302 2.638 20 0 GFADRO Cc1ccc(NC(=O)C(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c(Br)c1 ZINC000415816433 563798345 /nfs/dbraw/zinc/79/83/45/563798345.db2.gz HAAYIJYMSBFZJZ-UONOGXRCSA-N 1 0 394.313 2.544 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000415820393 563798441 /nfs/dbraw/zinc/79/84/41/563798441.db2.gz ZTVZFEMPWWNRBN-TZMCWYRMSA-N 1 0 382.302 2.638 20 0 GFADRO Cc1nc2cc(Cl)c(NC(=O)C(=O)NC[C@@H]3CCC[C@@H]([NH3+])C3)cc2s1 ZINC000415818800 563798476 /nfs/dbraw/zinc/79/84/76/563798476.db2.gz XBJWPPQSMBBTPX-GHMZBOCLSA-N 1 0 380.901 2.830 20 0 GFADRO Cc1ccc(-c2csc(NC(=O)C(=O)N3CC[C@@H](C)[C@H](C[NH3+])C3)n2)s1 ZINC000415833978 563798791 /nfs/dbraw/zinc/79/87/91/563798791.db2.gz AIDUUDTWSWBKEW-ZYHUDNBSSA-N 1 0 378.523 2.562 20 0 GFADRO O[C@H](COc1ccc(Cl)cc1Cl)CN1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000366096846 563798893 /nfs/dbraw/zinc/79/88/93/563798893.db2.gz NYNKPWVRPSIEJH-CABCVRRESA-N 1 0 391.364 2.856 20 0 GFADRO OC[C@H]([NH2+]C[C@H](O)COCC(F)(F)F)c1ccc(Cl)cc1C(F)(F)F ZINC000293036648 563799068 /nfs/dbraw/zinc/79/90/68/563799068.db2.gz WSVMVDMOOAIQQP-CABZTGNLSA-N 1 0 395.727 2.922 20 0 GFADRO Cc1ccc(-c2csc(NC(=O)C(=O)N3CC[C@@H](C)[C@@H](C[NH3+])C3)n2)s1 ZINC000415833975 563799140 /nfs/dbraw/zinc/79/91/40/563799140.db2.gz AIDUUDTWSWBKEW-PWSUYJOCSA-N 1 0 378.523 2.562 20 0 GFADRO C[C@H]1CCN(C(=O)C(=O)Nc2cc(Cl)cc(C(F)(F)F)c2)C[C@@H]1C[NH3+] ZINC000415836170 563799144 /nfs/dbraw/zinc/79/91/44/563799144.db2.gz BWKCXHABZHKNSW-UWVGGRQHSA-N 1 0 377.794 2.741 20 0 GFADRO [NH3+]C[C@H]1CC[C@H](NC(=O)C(=O)Nc2ccc(-c3ccc(Cl)s3)nc2)C1 ZINC000415850079 563799517 /nfs/dbraw/zinc/79/95/17/563799517.db2.gz ZOVQXHBHBUYRSW-QWRGUYRKSA-N 1 0 378.885 2.646 20 0 GFADRO Cc1ccc(-c2csc(NC(=O)C(=O)N[C@H](CC[NH3+])C(F)(F)F)n2)s1 ZINC000415849684 563799616 /nfs/dbraw/zinc/79/96/16/563799616.db2.gz ZAONDVUFZKEFHC-SNVBAGLBSA-N 1 0 392.428 2.514 20 0 GFADRO C[C@H]1CCN(C(=O)C(=O)Nc2ccc(C(F)(F)F)cc2Cl)C[C@@H]1C[NH3+] ZINC000415855773 563799648 /nfs/dbraw/zinc/79/96/48/563799648.db2.gz YZVXZAXPADDQEV-UWVGGRQHSA-N 1 0 377.794 2.741 20 0 GFADRO O=C(Nc1ccc2c(c1)C[NH2+]CC2)N[C@@H](CO)c1ccc(Br)cc1 ZINC000415890362 563800262 /nfs/dbraw/zinc/80/02/62/563800262.db2.gz DKDCGIYGTNBINW-KRWDZBQOSA-N 1 0 390.281 2.950 20 0 GFADRO Cn1ncc(CCC[NH2+]Cc2nc(-c3cccc(Br)c3)c[nH]2)n1 ZINC000293121734 563801530 /nfs/dbraw/zinc/80/15/30/563801530.db2.gz ZEZWJEPJLJNULA-UHFFFAOYSA-N 1 0 375.274 2.690 20 0 GFADRO [NH3+]CC[C@H](NC(=O)N1CCO[C@H](c2ccc(F)c(Cl)c2)C1)C(F)(F)F ZINC000416003025 563801549 /nfs/dbraw/zinc/80/15/49/563801549.db2.gz GFHQBGWIWDPQAM-STQMWFEESA-N 1 0 383.773 2.842 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(F)c(I)c1 ZINC000366220628 563801765 /nfs/dbraw/zinc/80/17/65/563801765.db2.gz FQSXRFUBKVYYOD-NEPJUHHUSA-N 1 0 388.224 2.787 20 0 GFADRO CN(Cc1cc(Br)cs1)C(=O)C[NH2+][C@@H](C1CC1)C(C)(C)CO ZINC000293121313 563801773 /nfs/dbraw/zinc/80/17/73/563801773.db2.gz RNNKXPWPMHHBHB-HNNXBMFYSA-N 1 0 389.359 2.856 20 0 GFADRO COc1cc(Br)ccc1CNC(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000416029594 563803239 /nfs/dbraw/zinc/80/32/39/563803239.db2.gz LOPBMJYUXWRJJO-LLVKDONJSA-N 1 0 384.196 2.537 20 0 GFADRO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)Nc1nnc(CC(F)(F)F)s1 ZINC000443591485 563808945 /nfs/dbraw/zinc/80/89/45/563808945.db2.gz JKMVVGNYWPHXIQ-NSHDSACASA-N 1 0 379.452 3.275 20 0 GFADRO CCn1cc(Br)cc1C(=O)N1CC[C@@H](OCC[NH+]2CCCC2)C1 ZINC000443806127 563812589 /nfs/dbraw/zinc/81/25/89/563812589.db2.gz UKIKZDBHCBSVGG-OAHLLOKOSA-N 1 0 384.318 2.597 20 0 GFADRO C[NH+](C)C1(CNC(=O)[C@@H]2CCCN2C(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000416300887 563813930 /nfs/dbraw/zinc/81/39/30/563813930.db2.gz JJHWTAYGMRSHFC-HNNXBMFYSA-N 1 0 384.307 2.808 20 0 GFADRO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)CCCc1ccc(Br)s1 ZINC000416287152 563813939 /nfs/dbraw/zinc/81/39/39/563813939.db2.gz BTPXLDPQOKLDFV-STQMWFEESA-N 1 0 389.359 2.747 20 0 GFADRO C[N@@H+]1CC[C@]2(CCN(C(=O)Nc3ccc([S@](=O)C(F)(F)F)cc3)C2)C1 ZINC000366603047 563815158 /nfs/dbraw/zinc/81/51/58/563815158.db2.gz PBLPFMYQIMWLAG-MQNRADLISA-N 1 0 375.416 2.874 20 0 GFADRO CC1=C(Br)CN(C(=O)c2cnn(CC[NH+]3CCCCC3)c2)CC1 ZINC000366611702 563815496 /nfs/dbraw/zinc/81/54/96/563815496.db2.gz WPXKHLDLCFWZHY-UHFFFAOYSA-N 1 0 381.318 2.884 20 0 GFADRO C[C@H](CC(=O)N1C[C@H](C)[N@H+](CCO)C[C@@H]1C)c1ccc(Br)cc1 ZINC000416320039 563816322 /nfs/dbraw/zinc/81/63/22/563816322.db2.gz ZCULJFFHVANOFG-ILXRZTDVSA-N 1 0 383.330 2.856 20 0 GFADRO Cc1cc(S(=O)(=O)N(C)C2CC[NH+](C)CC2)c(F)cc1Br ZINC000416356242 563817427 /nfs/dbraw/zinc/81/74/27/563817427.db2.gz AXYJLBUVAKOKEQ-UHFFFAOYSA-N 1 0 379.295 2.611 20 0 GFADRO CNS(=O)(=O)[C@@H]1CCN([C@H](C)c2nc(C)c(-c3ccc(Cl)cc3)o2)C1 ZINC000366719049 563817720 /nfs/dbraw/zinc/81/77/20/563817720.db2.gz LQDFDPGBNSYUFZ-IUODEOHRSA-N 1 0 383.901 2.988 20 0 GFADRO CCOC1CC(O)(C[NH2+]Cc2nc(-c3cccc(Br)c3)c[nH]2)C1 ZINC000444015539 563818761 /nfs/dbraw/zinc/81/87/61/563818761.db2.gz UPICMSKLYHGVJZ-UHFFFAOYSA-N 1 0 380.286 2.859 20 0 GFADRO C[C@H](NC(=O)c1nn(C)cc1Br)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000293603508 563820393 /nfs/dbraw/zinc/82/03/93/563820393.db2.gz YCVNPLAMHLLGOG-ZFWWWQNUSA-N 1 0 391.313 2.823 20 0 GFADRO C[NH+](C)[C@]1(CNS(=O)(=O)c2ccc(C(F)(F)F)cc2F)CCSC1 ZINC000444081864 563820528 /nfs/dbraw/zinc/82/05/28/563820528.db2.gz UYVAXFWIPVUPLP-ZDUSSCGKSA-N 1 0 386.436 2.560 20 0 GFADRO Cc1cc(Br)cc(S(=O)(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)c1 ZINC000444079424 563820633 /nfs/dbraw/zinc/82/06/33/563820633.db2.gz VYGRJSNXTQZINK-ZIAGYGMSSA-N 1 0 375.332 2.909 20 0 GFADRO C[C@H](NC(=O)NC[C@@H](O)C[NH+]1CCCCC1)c1ccc(Br)s1 ZINC000444105732 563821389 /nfs/dbraw/zinc/82/13/89/563821389.db2.gz PJWVXKWZKPORFD-NWDGAFQWSA-N 1 0 390.347 2.718 20 0 GFADRO COc1nc(NCc2cccc(C[NH+]3CCCC3)c2)ncc1Br ZINC000444106376 563822119 /nfs/dbraw/zinc/82/21/19/563822119.db2.gz OSWCEXXSEKHGQV-UHFFFAOYSA-N 1 0 377.286 3.456 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)c1coc(C[NH3+])c1 ZINC000444155997 563822520 /nfs/dbraw/zinc/82/25/20/563822520.db2.gz NHXWRAAFGCFTDN-UHFFFAOYSA-N 1 0 380.242 2.568 20 0 GFADRO O=C(Nc1cc(F)c(I)c(F)c1)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000444164660 563823597 /nfs/dbraw/zinc/82/35/97/563823597.db2.gz ZWQUWGUACDZPRY-ISVAXAHUSA-N 1 0 378.160 2.508 20 0 GFADRO CS(=O)(=O)N1CC[C@H](C[N@@H+]2CCC[C@H]2c2ccccc2Br)C1 ZINC000366887115 563823758 /nfs/dbraw/zinc/82/37/58/563823758.db2.gz UXVKZGDQUQHQIW-CJNGLKHVSA-N 1 0 387.343 2.868 20 0 GFADRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)c3n[nH]c4ccc(Br)cc43)C2)C1 ZINC000293810422 563824651 /nfs/dbraw/zinc/82/46/51/563824651.db2.gz AQNAHODVEUOQJC-QGZVFWFLSA-N 1 0 377.286 2.883 20 0 GFADRO O=C(NCC[C@H]1CCC[NH2+]1)c1cc(I)ccc1Cl ZINC000444260158 563825761 /nfs/dbraw/zinc/82/57/61/563825761.db2.gz QFJVGRHQSYLYFK-SNVBAGLBSA-N 1 0 378.641 2.817 20 0 GFADRO CC[N@@H+](Cc1cccc(Br)c1)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000444241058 563825845 /nfs/dbraw/zinc/82/58/45/563825845.db2.gz QQZSBJPOKUZLEX-HNNXBMFYSA-N 1 0 389.359 2.943 20 0 GFADRO COc1cc(OC)c(S(=O)(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)cc1Cl ZINC000416419188 563826498 /nfs/dbraw/zinc/82/64/98/563826498.db2.gz UEQZYHLKIYJSJB-VXGBXAGGSA-N 1 0 376.906 2.508 20 0 GFADRO Cc1cc(S(=O)(=O)N2CCC[C@@H]2C[NH+](C)C)c(F)cc1Br ZINC000416424921 563827429 /nfs/dbraw/zinc/82/74/29/563827429.db2.gz BKSSHZVCLFMJRU-LLVKDONJSA-N 1 0 379.295 2.611 20 0 GFADRO COc1cc(S(=O)(=O)N2C[C@@H]([NH3+])Cc3ccccc32)ccc1Br ZINC000416428680 563828035 /nfs/dbraw/zinc/82/80/35/563828035.db2.gz VVSIUWSTXNPREQ-LBPRGKRZSA-N 1 0 397.294 2.536 20 0 GFADRO COC[C@H]([NH2+]C[C@](C)(O)c1ccc(Br)cc1F)[C@H]1CCCO1 ZINC000294013025 563829836 /nfs/dbraw/zinc/82/98/36/563829836.db2.gz GVADJMDZWOLTIY-XHSDSOJGSA-N 1 0 376.266 2.579 20 0 GFADRO C[N@@H+]1CC[C@]2(CCN(C(=O)c3c(O)cnc4c(Br)cccc43)C2)C1 ZINC000294027379 563830042 /nfs/dbraw/zinc/83/00/42/563830042.db2.gz ZMLSZDHZDKJJPR-SFHVURJKSA-N 1 0 390.281 2.871 20 0 GFADRO C[C@H]1CN(C(=O)Nc2cccc(Br)c2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000367097022 563830729 /nfs/dbraw/zinc/83/07/29/563830729.db2.gz VQEZAQDZZLBZBO-WMLDXEAASA-N 1 0 395.345 2.939 20 0 GFADRO COC(=O)c1c(Cl)cccc1S(=O)(=O)N[C@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000416469283 563833960 /nfs/dbraw/zinc/83/39/60/563833960.db2.gz DCELDPVZDFPVQY-CHWSQXEVSA-N 1 0 388.917 2.525 20 0 GFADRO O=C1[C@@H](N2CC[NH+]([C@H]3CCSC3)CC2)CCN1c1ccc(Cl)c(F)c1 ZINC000367199570 563835528 /nfs/dbraw/zinc/83/55/28/563835528.db2.gz CQFVMCHPCDCUSY-YOEHRIQHSA-N 1 0 383.920 2.708 20 0 GFADRO O=C(C[N@@H+](CCO)C1CCOCC1)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000444768964 563836622 /nfs/dbraw/zinc/83/66/22/563836622.db2.gz GSYYNAXKUUUKRE-UHFFFAOYSA-N 1 0 380.794 2.771 20 0 GFADRO OC[C@@H]1CCC[N@@H+]1C[C@H]1CCCN1CCOc1ccccc1Br ZINC000367225883 563836943 /nfs/dbraw/zinc/83/69/43/563836943.db2.gz GTDCJLYRNRXITN-CVEARBPZSA-N 1 0 383.330 2.749 20 0 GFADRO COc1cc(OC)c(S(=O)(=O)N2CC[C@H]([NH+]3CCCC3)[C@@H]2C)cc1Cl ZINC000416486046 563837091 /nfs/dbraw/zinc/83/70/91/563837091.db2.gz HJVKPPFRCZJNAF-JSGCOSHPSA-N 1 0 388.917 2.605 20 0 GFADRO COC(=O)[C@@H](c1cc(Cl)cc(Cl)c1)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000444800978 563837734 /nfs/dbraw/zinc/83/77/34/563837734.db2.gz LUAOCCQHRWIDSN-MLGOLLRUSA-N 1 0 389.323 2.985 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)N1CCOc2ccc(Br)cc2C1 ZINC000367271593 563838616 /nfs/dbraw/zinc/83/86/16/563838616.db2.gz PNRBCEIOPHVDAK-HZPDHXFCSA-N 1 0 394.313 2.980 20 0 GFADRO COc1cc(Br)c(S(=O)(=O)NC(C)(C)C[NH+](C)C)cc1Cl ZINC000416511694 563841368 /nfs/dbraw/zinc/84/13/68/563841368.db2.gz YONYTYZFRYWLSF-UHFFFAOYSA-N 1 0 399.738 2.730 20 0 GFADRO CCc1sc(C(=O)NCC2([NH+](C)C)CCOCC2)cc1Br ZINC000294428230 563842584 /nfs/dbraw/zinc/84/25/84/563842584.db2.gz UPOROCHVPKYUIC-UHFFFAOYSA-N 1 0 375.332 2.914 20 0 GFADRO O=C1C[C@@H]([C@H]2CCCC[N@H+]2Cc2cccc(I)c2)CN1 ZINC000367434986 563844119 /nfs/dbraw/zinc/84/41/19/563844119.db2.gz ANLPOXBQUUFTHB-UKRRQHHQSA-N 1 0 384.261 2.782 20 0 GFADRO C[NH+]1CCN(CCCNC(=O)COc2c(Cl)cc(Cl)cc2Cl)CC1 ZINC000294489055 563844247 /nfs/dbraw/zinc/84/42/47/563844247.db2.gz RJBUCXDBQNQLBB-UHFFFAOYSA-N 1 0 394.730 2.779 20 0 GFADRO CCS(=O)(=O)c1ccc([C@H](C)[NH2+]C2CCC(CS(C)(=O)=O)CC2)cc1 ZINC000294512956 563845291 /nfs/dbraw/zinc/84/52/91/563845291.db2.gz YVBXFGDHUYICPQ-UQPPLGOBSA-N 1 0 387.567 2.734 20 0 GFADRO COc1cc(Br)c(C(=O)NCCC2CC[NH+](C)CC2)cc1OC ZINC000294519048 563845370 /nfs/dbraw/zinc/84/53/70/563845370.db2.gz KPEIBPVBMFWIEJ-UHFFFAOYSA-N 1 0 385.302 2.928 20 0 GFADRO C[N@@H+]1CCC[C@H](CC[N-]S(=O)(=O)c2cc(F)c(Br)cc2F)C1 ZINC000416549247 563846800 /nfs/dbraw/zinc/84/68/00/563846800.db2.gz CSXSPGKBZAOZSY-SNVBAGLBSA-N 1 0 397.285 2.738 20 0 GFADRO COc1cc(Br)c(C(=O)NC[C@@H](C)C[NH+]2CCCC2)cc1OC ZINC000294616537 563848822 /nfs/dbraw/zinc/84/88/22/563848822.db2.gz XNXGAOVZIIFAJJ-GFCCVEGCSA-N 1 0 385.302 2.928 20 0 GFADRO C[N@@H+]1CCC[C@@H](CCNS(=O)(=O)c2c(F)cccc2OC(F)(F)F)C1 ZINC000416563756 563848887 /nfs/dbraw/zinc/84/88/87/563848887.db2.gz YTTJPHMKYJOMJF-NSHDSACASA-N 1 0 384.395 2.735 20 0 GFADRO CC[C@H]([NH2+]C1CCC(CS(C)(=O)=O)CC1)[C@H](O)c1c(F)cccc1F ZINC000294638080 563849070 /nfs/dbraw/zinc/84/90/70/563849070.db2.gz GCMZCJZNJWPDDY-WIDPDILFSA-N 1 0 375.481 2.970 20 0 GFADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)Nc3ccc([S@](=O)C(F)(F)F)cc3)C[C@@H]21 ZINC000367583069 563849155 /nfs/dbraw/zinc/84/91/55/563849155.db2.gz QLNSMRPLEAXBPE-XPZKFQLMSA-N 1 0 375.416 2.872 20 0 GFADRO C[C@H]([NH2+]C1CCN(S(=O)(=O)c2cccs2)CC1)c1c(F)cncc1F ZINC000367690869 563852301 /nfs/dbraw/zinc/85/23/01/563852301.db2.gz SWJOLCNBIJKXOU-NSHDSACASA-N 1 0 387.477 2.925 20 0 GFADRO CS[C@H]1CN(S(=O)(=O)c2c(F)cccc2Cl)C[C@@H]1[NH+]1CCCC1 ZINC000445736400 563853329 /nfs/dbraw/zinc/85/33/29/563853329.db2.gz ROLQQQPSHUWUMU-KBPBESRZSA-N 1 0 378.922 2.679 20 0 GFADRO O=S(=O)(N[C@@H]1CC12CC[NH2+]CC2)c1cc(Br)ccc1Cl ZINC000367834005 563857453 /nfs/dbraw/zinc/85/74/53/563857453.db2.gz UHLSCCXPGWZZQX-GFCCVEGCSA-N 1 0 379.707 2.523 20 0 GFADRO C[NH+](C)C1(CNC(=O)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)CCC1 ZINC000446168097 563859456 /nfs/dbraw/zinc/85/94/56/563859456.db2.gz OAIAWEOGYWURBX-UHFFFAOYSA-N 1 0 377.794 2.898 20 0 GFADRO COC(=O)[C@H]1CN(C(=O)Nc2cc(Cl)c(OC)c(Cl)c2)CC[N@H+](C)C1 ZINC000416787654 563861255 /nfs/dbraw/zinc/86/12/55/563861255.db2.gz OUMOJQFXRKOCRP-SNVBAGLBSA-N 1 0 390.267 2.571 20 0 GFADRO COc1ccc(Br)c(CNC(=O)[C@]2([NH3+])[C@@H]3CCCO[C@H]3C2(C)C)c1 ZINC000446386808 563863209 /nfs/dbraw/zinc/86/32/09/563863209.db2.gz RWPXQDOVGIVSTB-DDUZABMNSA-N 1 0 397.313 2.606 20 0 GFADRO CC(C)[C@@]1(CO)CC[N@H+](CC(=O)N(C)Cc2ccccc2Br)C1 ZINC000368067710 563863386 /nfs/dbraw/zinc/86/33/86/563863386.db2.gz ABXRUDAOYBOMLB-SFHVURJKSA-N 1 0 383.330 2.748 20 0 GFADRO O=C(Nc1ccc(=O)n(Cc2ccc(Cl)c(Cl)c2)c1)[C@H]1C[C@H](F)C[NH2+]1 ZINC000446378075 563863413 /nfs/dbraw/zinc/86/34/13/563863413.db2.gz YLCWLYHXUQVTDS-XHDPSFHLSA-N 1 0 384.238 2.842 20 0 GFADRO CCOc1c(Br)cc(C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1OC ZINC000368097174 563864089 /nfs/dbraw/zinc/86/40/89/563864089.db2.gz WSHFITFZNURSSH-DGCLKSJQSA-N 1 0 383.286 2.538 20 0 GFADRO CC(C)[N@H+](C)CCCNC(=O)C(=O)Nc1cc2c(cc1Br)CCC2 ZINC000446478392 563864443 /nfs/dbraw/zinc/86/44/43/563864443.db2.gz UUKVMOJOYVNVQO-UHFFFAOYSA-N 1 0 396.329 2.723 20 0 GFADRO O=C(N1CC[C@@H]2[NH2+]CC[C@@H]2C1)C1(c2ccc(Br)cc2)CCOCC1 ZINC000368168235 563865520 /nfs/dbraw/zinc/86/55/20/563865520.db2.gz SFFDHGWKUWEGKL-PBHICJAKSA-N 1 0 393.325 2.708 20 0 GFADRO Cc1cc(F)c(Br)cc1NC(=O)N1C[C@@H](C)[N@@H+](CCO)C[C@@H]1C ZINC000417038901 563865718 /nfs/dbraw/zinc/86/57/18/563865718.db2.gz JTIMCBYPGNEPBQ-NEPJUHHUSA-N 1 0 388.281 2.815 20 0 GFADRO C[C@@H](Cc1ccc(Br)cc1)NC(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000417110624 563868279 /nfs/dbraw/zinc/86/82/79/563868279.db2.gz YZZAEOOGNIGQDG-GXFFZTMASA-N 1 0 376.245 2.677 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)C(=O)Nc2ccc(Br)c(Cl)c2)CC[N@@H+]1C ZINC000446741192 563868066 /nfs/dbraw/zinc/86/80/66/563868066.db2.gz KSWBBFDRGNQNKD-MWLCHTKSSA-N 1 0 388.693 2.640 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2S(=O)(=O)c1c(Cl)cccc1Cl ZINC000446928560 563870385 /nfs/dbraw/zinc/87/03/85/563870385.db2.gz GTCUVCAMVIAWCO-KCPJHIHWSA-N 1 0 393.336 2.866 20 0 GFADRO C[C@H](CC[NH3+])NC(=O)NCC1(c2cccc(Br)c2)CCOCC1 ZINC000417178864 563871055 /nfs/dbraw/zinc/87/10/55/563871055.db2.gz NFWVNGXXKPRTCE-CYBMUJFWSA-N 1 0 384.318 2.534 20 0 GFADRO [NH3+]C[C@H]1CC[C@H](CNC(=O)NCc2cn3cc(Br)ccc3n2)CC1 ZINC000417210762 563873173 /nfs/dbraw/zinc/87/31/73/563873173.db2.gz DLELJBPZGPZLCZ-JOCQHMNTSA-N 1 0 394.317 2.661 20 0 GFADRO COc1ccc(Br)c(C[NH2+][C@H]2CCCN(c3ccnn3C)C2)c1 ZINC000447070929 563874444 /nfs/dbraw/zinc/87/44/44/563874444.db2.gz YRYKORGLJDYIPE-AWEZNQCLSA-N 1 0 379.302 2.950 20 0 GFADRO C[N@@H+]1CC[C@H]2CCN(C(=O)c3cc(=O)[nH]c4ccc(Br)cc43)C[C@H]21 ZINC000368592420 563874621 /nfs/dbraw/zinc/87/46/21/563874621.db2.gz NXEWUFLRLOXTAP-MEDUHNTESA-N 1 0 390.281 2.869 20 0 GFADRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)NC[C@@H]2CCN(c3cccc(Br)c3)C2)C1 ZINC000417257808 563875133 /nfs/dbraw/zinc/87/51/33/563875133.db2.gz DFPYFONNFZEOLO-IJEWVQPXSA-N 1 0 395.345 2.702 20 0 GFADRO Cc1c(I)cccc1C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000368613303 563875229 /nfs/dbraw/zinc/87/52/29/563875229.db2.gz MVCKWMRXZWNSSM-CORIIIEPSA-N 1 0 384.261 2.799 20 0 GFADRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)NC[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000417268615 563875777 /nfs/dbraw/zinc/87/57/77/563875777.db2.gz ZQMICGPGRZBHHQ-KFWWJZLASA-N 1 0 395.345 2.654 20 0 GFADRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)c3ccc(I)c(F)c3)C[C@@H]21 ZINC000368615015 563876030 /nfs/dbraw/zinc/87/60/30/563876030.db2.gz SQUFQRQEIHRQIF-COPLHBTASA-N 1 0 388.224 2.630 20 0 GFADRO [NH3+]CCN(CCO)C(=O)N[C@@H](c1ccccc1)c1ccc(Br)cc1 ZINC000417302498 563877781 /nfs/dbraw/zinc/87/77/81/563877781.db2.gz WKSQXZRQGRDJDK-KRWDZBQOSA-N 1 0 392.297 2.501 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H]2CN(S(=O)(=O)c3ccc(Br)c(Cl)c3)C[C@H]21 ZINC000447243102 563877918 /nfs/dbraw/zinc/87/79/18/563877918.db2.gz ANZVOHQVVDNKQH-GLXFQSAKSA-N 1 0 393.734 2.850 20 0 GFADRO COc1cc(CNC(=O)NCCC2=CC[NH2+]CC2)cc(Br)c1OC ZINC000417374492 563878587 /nfs/dbraw/zinc/87/85/87/563878587.db2.gz KMXRFOGBULFEJH-UHFFFAOYSA-N 1 0 398.301 2.575 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000417361218 563878764 /nfs/dbraw/zinc/87/87/64/563878764.db2.gz BZTNMXJRIDPGAB-KGLIPLIRSA-N 1 0 397.317 2.655 20 0 GFADRO [NH3+]CC1CCN(C(=O)NCc2cc(Br)ccc2OC(F)F)CC1 ZINC000417404501 563879290 /nfs/dbraw/zinc/87/92/90/563879290.db2.gz HJCNIKXSOQBGBC-UHFFFAOYSA-N 1 0 392.244 2.931 20 0 GFADRO CN(CC(=O)NC1CC[NH+](Cc2cccs2)CC1)C(=O)c1cccs1 ZINC000368806735 563879341 /nfs/dbraw/zinc/87/93/41/563879341.db2.gz SVBGWEXIYUWIFV-UHFFFAOYSA-N 1 0 377.535 2.662 20 0 GFADRO Cn1c(Cl)c(Cl)cc1C(=O)N1CCC(CC[NH+]2CCN(C)CC2)CC1 ZINC000368845827 563879905 /nfs/dbraw/zinc/87/99/05/563879905.db2.gz ROBDWAWNEIJEEX-UHFFFAOYSA-N 1 0 387.355 2.822 20 0 GFADRO CN1CC[NH+](CCC2CCN(C(=O)c3cccc(Br)c3)CC2)CC1 ZINC000368845486 563879943 /nfs/dbraw/zinc/87/99/43/563879943.db2.gz QLVMCWLUPYKBHO-UHFFFAOYSA-N 1 0 394.357 2.939 20 0 GFADRO CO[C@@H]1CCN(C(=O)NCC(C)(C)c2cccc(Br)c2)[C@H](C[NH3+])C1 ZINC000417429085 563880026 /nfs/dbraw/zinc/88/00/26/563880026.db2.gz MRKOIBMSWOQJEI-JKSUJKDBSA-N 1 0 398.345 2.874 20 0 GFADRO CC(C)[C@@H]([NH3+])CNC(=O)NCC1(c2ccc(Br)cc2)CCOCC1 ZINC000417430079 563880221 /nfs/dbraw/zinc/88/02/21/563880221.db2.gz OKNANFJAKJXKSI-INIZCTEOSA-N 1 0 398.345 2.780 20 0 GFADRO O=C(NCCC[C@H]1CCC[NH2+]1)N[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000417480009 563880991 /nfs/dbraw/zinc/88/09/91/563880991.db2.gz LHCFLTXXIYTOPR-HZPDHXFCSA-N 1 0 395.345 2.859 20 0 GFADRO O=C(CCSc1nc2ccccc2s1)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000368883492 563881058 /nfs/dbraw/zinc/88/10/58/563881058.db2.gz BLFBYIFTUJFUAA-KBPBESRZSA-N 1 0 377.535 2.758 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000417485656 563881129 /nfs/dbraw/zinc/88/11/29/563881129.db2.gz LQSDVENZJYNFSU-KBPBESRZSA-N 1 0 397.317 2.655 20 0 GFADRO [NH3+]CC[C@H]1CCCN(C(=O)N[C@@H]2CCN(c3ccc(Br)cc3)C2)C1 ZINC000417485669 563881143 /nfs/dbraw/zinc/88/11/43/563881143.db2.gz WYANWTXPOJIYMA-GDBMZVCRSA-N 1 0 395.345 2.798 20 0 GFADRO C[C@H](CCCC[NH3+])NC(=O)N[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000417482428 563881156 /nfs/dbraw/zinc/88/11/56/563881156.db2.gz PKMRBHFERBWYSM-UKRRQHHQSA-N 1 0 383.334 2.845 20 0 GFADRO CC(C)C[C@H](C[NH3+])NC(=O)N[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000417480869 563881204 /nfs/dbraw/zinc/88/12/04/563881204.db2.gz MYHYTHOFYUVYAG-HUUCEWRRSA-N 1 0 383.334 2.700 20 0 GFADRO [NH3+]C[C@H](NC(=O)NC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1)C1CC1 ZINC000417574798 563883809 /nfs/dbraw/zinc/88/38/09/563883809.db2.gz RXPAXWIAENFBLM-KRWDZBQOSA-N 1 0 385.339 2.994 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000369037533 563884872 /nfs/dbraw/zinc/88/48/72/563884872.db2.gz YJFBVNKMABDDCC-HOTGVXAUSA-N 1 0 382.302 2.820 20 0 GFADRO CN(Cc1ccc(Br)s1)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000369029869 563884878 /nfs/dbraw/zinc/88/48/78/563884878.db2.gz ZIXXPYNIMCKROG-NWDGAFQWSA-N 1 0 388.331 2.515 20 0 GFADRO CN(Cc1csc(Br)c1)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000369029493 563885048 /nfs/dbraw/zinc/88/50/48/563885048.db2.gz XQVCSFJNGLIVNO-OLZOCXBDSA-N 1 0 388.331 2.515 20 0 GFADRO C[C@H](C[NH3+])N(C)C(=O)NCCSCCOc1cccc(Br)c1 ZINC000417591356 563885674 /nfs/dbraw/zinc/88/56/74/563885674.db2.gz IHPZKMNNQSORJC-GFCCVEGCSA-N 1 0 390.347 2.550 20 0 GFADRO CCCC[C@@H](C[NH3+])NC(=O)N[C@H]1CCN(c2ccccc2Br)C1 ZINC000417604982 563885993 /nfs/dbraw/zinc/88/59/93/563885993.db2.gz WNEBTZVCMOCRGP-KBPBESRZSA-N 1 0 383.334 2.845 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)NCC2(c3ccc(Br)cc3)CCCC2)CCO1 ZINC000417730557 563888037 /nfs/dbraw/zinc/88/80/37/563888037.db2.gz QZTRXRIDUIZYRT-INIZCTEOSA-N 1 0 396.329 2.630 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)N1CCC(n2cc(Br)cn2)CC1 ZINC000369149873 563888142 /nfs/dbraw/zinc/88/81/42/563888142.db2.gz RBANWUVZPVNXMK-GDBMZVCRSA-N 1 0 396.333 2.619 20 0 GFADRO C[C@H](CNC(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1)Oc1ccc(Br)cc1 ZINC000417769412 563888577 /nfs/dbraw/zinc/88/85/77/563888577.db2.gz DOOIXMRFDHZOQV-OSRSDYAFSA-N 1 0 396.329 2.985 20 0 GFADRO C[C@H](CNC(=O)N1CCC[C@@H](CC[NH3+])C1)Oc1ccc(Br)cc1 ZINC000417772978 563888725 /nfs/dbraw/zinc/88/87/25/563888725.db2.gz IKUVNNAHRKNSKB-KGLIPLIRSA-N 1 0 384.318 2.987 20 0 GFADRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NS(=O)(=O)c1ccc(OC(F)F)c(F)c1 ZINC000447869920 563889075 /nfs/dbraw/zinc/88/90/75/563889075.db2.gz WAMGVIQIJRHBLI-NWDGAFQWSA-N 1 0 380.432 2.826 20 0 GFADRO C[C@H](CNC(=O)N[C@@H]1C[NH2+]CCC1(F)F)Oc1ccc(Br)cc1 ZINC000417775761 563889197 /nfs/dbraw/zinc/88/91/97/563889197.db2.gz OFMRRRJARZKWKE-ZWNOBZJWSA-N 1 0 392.244 2.513 20 0 GFADRO CO[C@@H]1CCN(C(=O)NCc2cc(Cl)ccc2OC(F)F)[C@@H](C[NH3+])C1 ZINC000417776940 563889299 /nfs/dbraw/zinc/88/92/99/563889299.db2.gz BSIQVSRAPYSVSF-CHWSQXEVSA-N 1 0 377.819 2.589 20 0 GFADRO C[C@H](CNC(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1)Oc1ccccc1Br ZINC000417824868 563889723 /nfs/dbraw/zinc/88/97/23/563889723.db2.gz MGTMRNHVOSISKV-MCIONIFRSA-N 1 0 384.318 2.843 20 0 GFADRO C[C@H]1CCC[N@@H+]1C1CCN(S(=O)(=O)c2c(F)c(F)cc(F)c2F)CC1 ZINC000369224288 563890197 /nfs/dbraw/zinc/89/01/97/563890197.db2.gz JKZBTRSBZRWYJH-JTQLQIEISA-N 1 0 380.407 2.880 20 0 GFADRO CC[C@H](Cc1ccccc1Br)NC(=O)NC[C@@]1(COC)CCC[NH2+]1 ZINC000417882299 563890308 /nfs/dbraw/zinc/89/03/08/563890308.db2.gz GZQZWCJIUNGHDU-CRAIPNDOSA-N 1 0 398.345 2.838 20 0 GFADRO CC(C)COC[C@@H](O)C[NH2+]Cc1ccc(F)cc1I ZINC000417878203 563890505 /nfs/dbraw/zinc/89/05/05/563890505.db2.gz QMIFLPKOQJKVJJ-ZDUSSCGKSA-N 1 0 381.229 2.553 20 0 GFADRO C[NH2+][C@@H]1CCN(C(=O)NCc2ccc(Br)cc2C(F)(F)F)C1 ZINC000417949281 563892423 /nfs/dbraw/zinc/89/24/23/563892423.db2.gz IVNKDALWBNEZFX-LLVKDONJSA-N 1 0 380.208 2.971 20 0 GFADRO [NH3+][C@H]1C[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1c(Cl)cc(F)cc1Br ZINC000369327482 563892534 /nfs/dbraw/zinc/89/25/34/563892534.db2.gz SGKARAGBTMMVNQ-ILWJIGKKSA-N 1 0 397.697 2.884 20 0 GFADRO CC(C)[C@@H]([NH3+])CNC(=O)NCCCOc1ncc(C(F)(F)F)cc1Cl ZINC000417962986 563892773 /nfs/dbraw/zinc/89/27/73/563892773.db2.gz OQFYNLGQZTYMHE-LBPRGKRZSA-N 1 0 382.814 2.805 20 0 GFADRO C[C@@H]([NH3+])[C@H](C)NC(=O)NCCOc1ccc(Br)cc1C(F)(F)F ZINC000417957945 563893089 /nfs/dbraw/zinc/89/30/89/563893089.db2.gz UZRXSLIUGPQSBU-BDAKNGLRSA-N 1 0 398.223 2.882 20 0 GFADRO Cc1cc(Br)ccc1C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000369352809 563893314 /nfs/dbraw/zinc/89/33/14/563893314.db2.gz GIYHSXMDWZUBIU-INIZCTEOSA-N 1 0 380.330 2.610 20 0 GFADRO CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)N1CC[NH2+][C@H](C)[C@@H]1C ZINC000417976145 563893509 /nfs/dbraw/zinc/89/35/09/563893509.db2.gz FNDRTMUFORVVFB-DVZHBHJUSA-N 1 0 384.318 2.917 20 0 GFADRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)NCCc1c[nH]c2ccc(Br)cc12 ZINC000417995219 563894180 /nfs/dbraw/zinc/89/41/80/563894180.db2.gz CUZGJOJOBCOUID-NWDGAFQWSA-N 1 0 379.302 2.865 20 0 GFADRO O=C(N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000418003799 563894624 /nfs/dbraw/zinc/89/46/24/563894624.db2.gz MZTIQZOEIFLLDX-FZKQIMNGSA-N 1 0 383.323 2.967 20 0 GFADRO O=C(N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000418000943 563894668 /nfs/dbraw/zinc/89/46/68/563894668.db2.gz KNTBGLXXZOVCQQ-MELADBBJSA-N 1 0 383.323 2.823 20 0 GFADRO [NH3+]CC[C@H]1CCCN(C(=O)NCc2cc(Br)cc3c2OCC3)C1 ZINC000418005814 563895236 /nfs/dbraw/zinc/89/52/36/563895236.db2.gz DWCZDUOGGHGSPY-GFCCVEGCSA-N 1 0 382.302 2.654 20 0 GFADRO C[NH2+]CCC1CCN(C(=O)NCc2cc(Br)cc3c2OCC3)CC1 ZINC000418014092 563895373 /nfs/dbraw/zinc/89/53/73/563895373.db2.gz NVTOMAPRZNOYAR-UHFFFAOYSA-N 1 0 396.329 2.915 20 0 GFADRO COCCO[C@@H]1CCN(Cc2ccc(F)cc2I)C1 ZINC000418021218 563895401 /nfs/dbraw/zinc/89/54/01/563895401.db2.gz IPWVAIGDXLUALP-CYBMUJFWSA-N 1 0 379.213 2.668 20 0 GFADRO O=C(NCc1cc2cc(Br)ccc2[nH]1)N[C@H]1C[NH2+]CCC1(F)F ZINC000418023033 563895880 /nfs/dbraw/zinc/89/58/80/563895880.db2.gz BKBXYDXIZVGIHN-ZDUSSCGKSA-N 1 0 387.228 2.727 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)C(=O)NC[C@H]1[N@H+](C)CCCC1(C)C ZINC000448316984 563896002 /nfs/dbraw/zinc/89/60/02/563896002.db2.gz CCSDIHNHPIDKPT-OAHLLOKOSA-N 1 0 396.329 2.933 20 0 GFADRO Cc1cc(Br)cn2cc(CCNC(=O)N[C@H](C[NH3+])CC(C)C)nc12 ZINC000418024777 563896017 /nfs/dbraw/zinc/89/60/17/563896017.db2.gz UIEDRGZHCXPQFC-HNNXBMFYSA-N 1 0 396.333 2.620 20 0 GFADRO Cc1ccc(NC(=O)C(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)cc1Br ZINC000448326463 563896130 /nfs/dbraw/zinc/89/61/30/563896130.db2.gz ZYVMNVMLOJNLCX-OAHLLOKOSA-N 1 0 396.329 2.933 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)C(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC000448316983 563896199 /nfs/dbraw/zinc/89/61/99/563896199.db2.gz CCSDIHNHPIDKPT-HNNXBMFYSA-N 1 0 396.329 2.933 20 0 GFADRO CC1CC[NH+](CC(=O)NC(C)(C)COc2ncccc2Br)CC1 ZINC000448462965 563897254 /nfs/dbraw/zinc/89/72/54/563897254.db2.gz YCXAZVIOSKDHEU-UHFFFAOYSA-N 1 0 384.318 2.850 20 0 GFADRO [NH3+]CCCNC(=O)N[C@H](Cc1ccccn1)c1ccc(Br)cc1 ZINC000418065708 563897330 /nfs/dbraw/zinc/89/73/30/563897330.db2.gz MDQPXRLUSNDEJQ-MRXNPFEDSA-N 1 0 377.286 2.776 20 0 GFADRO CCn1c(CNC(=O)N2CC[C@@H]([C@@H](C)[NH3+])C2)nc2cc(Br)ccc21 ZINC000418063836 563897490 /nfs/dbraw/zinc/89/74/90/563897490.db2.gz INUWPNQZZBKCSF-VXGBXAGGSA-N 1 0 394.317 2.697 20 0 GFADRO CN(CC(C)(C)C[NH3+])C(=O)N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000418079933 563897745 /nfs/dbraw/zinc/89/77/45/563897745.db2.gz LRKJJMSJIDWETG-CYBMUJFWSA-N 1 0 387.311 2.725 20 0 GFADRO CCC[NH2+]CCNC(=O)N[C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O ZINC000418085004 563898242 /nfs/dbraw/zinc/89/82/42/563898242.db2.gz WNWCHSPNHMOYPA-CQSZACIVSA-N 1 0 387.311 2.788 20 0 GFADRO COCC1(CNC(=O)N[C@H](C)c2nc(C(F)(F)F)cs2)CC[NH2+]CC1 ZINC000418096495 563898479 /nfs/dbraw/zinc/89/84/79/563898479.db2.gz MPEDLEMFPJNKFR-SNVBAGLBSA-N 1 0 380.436 2.538 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccccc1-n1cc(Br)cn1 ZINC000448601228 563898841 /nfs/dbraw/zinc/89/88/41/563898841.db2.gz QWVCGSPDCWBJKK-AWEZNQCLSA-N 1 0 377.286 2.849 20 0 GFADRO O=C(N[C@H]1CCN(c2cccc(Br)c2)C1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000418103514 563898917 /nfs/dbraw/zinc/89/89/17/563898917.db2.gz TUHDXFNNYOWMMT-PMPSAXMXSA-N 1 0 393.329 2.564 20 0 GFADRO O=C(N[C@@H]1C[C@H]1c1ccccc1Br)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000418127918 563899564 /nfs/dbraw/zinc/89/95/64/563899564.db2.gz RWKCMOBAUHYRRE-UICACZKSSA-N 1 0 378.314 2.946 20 0 GFADRO COC(=O)c1nn(-c2ccc(Cl)c(Cl)c2)cc1C[NH2+][C@H]1C[C@@](C)(O)C1 ZINC000418113161 563899581 /nfs/dbraw/zinc/89/95/81/563899581.db2.gz ZQUFUEPWXZKDFC-OYHSWFHJSA-N 1 0 384.263 2.969 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)CNC(=O)Nc1cccc(Cl)c1)c1ccsc1 ZINC000448671101 563899738 /nfs/dbraw/zinc/89/97/38/563899738.db2.gz NHYFMJDHBSDDDC-OAHLLOKOSA-N 1 0 380.901 2.942 20 0 GFADRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)NCc1ccc(I)c(Cl)c1 ZINC000418170173 563900322 /nfs/dbraw/zinc/90/03/22/563900322.db2.gz YSEIBUJEEDTMJH-UFBFGSQYSA-N 1 0 393.656 2.576 20 0 GFADRO O=C(NCC[NH+]1CCCCC1)c1ccc(I)cc1F ZINC000448706788 563900241 /nfs/dbraw/zinc/90/02/41/563900241.db2.gz HMWHYXCKRQYSFP-UHFFFAOYSA-N 1 0 376.213 2.646 20 0 GFADRO COC[C@]1(CNC(=O)N[C@@H](C)c2ccc(Br)cc2F)CCC[NH2+]1 ZINC000418185680 563900648 /nfs/dbraw/zinc/90/06/48/563900648.db2.gz PFVDHYRMRUGMKH-MEDUHNTESA-N 1 0 388.281 2.717 20 0 GFADRO CC[N@H+](CCNC(=O)c1ccc(I)cc1F)C(C)C ZINC000448980475 563904382 /nfs/dbraw/zinc/90/43/82/563904382.db2.gz POKDNTWOXBXSGT-UHFFFAOYSA-N 1 0 378.229 2.890 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]CCc1ccco1 ZINC000449061670 563906394 /nfs/dbraw/zinc/90/63/94/563906394.db2.gz JAUHIKQFBTVLPV-LBPRGKRZSA-N 1 0 381.270 2.888 20 0 GFADRO O=S1(=O)CC[C@@H](C[NH2+]C2CC(c3ccc(Br)cc3F)C2)C1 ZINC000449077304 563906586 /nfs/dbraw/zinc/90/65/86/563906586.db2.gz YTBPTVQXLQTFND-ZBOXLXRLSA-N 1 0 376.291 2.859 20 0 GFADRO CCOCCOC[C@@H](O)C[NH2+][C@@H]1CCc2c1ccc(F)c2Br ZINC000449288285 564179420 /nfs/dbraw/zinc/17/94/20/564179420.db2.gz ZCXIVIJUDSAVRN-XHDPSFHLSA-N 1 0 376.266 2.579 20 0 GFADRO C[C@H]([NH2+]C[C@H](O)C1CCOCC1)c1ccc(I)cc1 ZINC000537980593 564179545 /nfs/dbraw/zinc/17/95/45/564179545.db2.gz DSRCAGKZLJITDL-NHYWBVRUSA-N 1 0 375.250 2.729 20 0 GFADRO C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1NCc1csc(-c2ccc(S(C)(=O)=O)cc2)n1 ZINC000563215561 564180162 /nfs/dbraw/zinc/18/01/62/564180162.db2.gz QYPHTJIXWAVPOE-IIYDPXPESA-N 1 0 379.551 2.690 20 0 GFADRO CN(CCC[N@H+](C)Cc1ccco1)Cc1cc(Cl)cc(S(N)(=O)=O)c1 ZINC000563217937 564180321 /nfs/dbraw/zinc/18/03/21/564180321.db2.gz QYWOBNFGXIRFAE-UHFFFAOYSA-N 1 0 385.917 2.534 20 0 GFADRO C[C@H](C[N@@H+]1CCC[C@H](CNS(C)(=O)=O)C1)c1cccc(Br)c1 ZINC000505302788 564180396 /nfs/dbraw/zinc/18/03/96/564180396.db2.gz ZICNUARMYAFCIC-ZIAGYGMSSA-N 1 0 389.359 2.814 20 0 GFADRO CS(=O)(=O)N[C@H]1CCCC[C@H]1C[NH2+]Cc1cccc(Br)c1F ZINC000449321172 564180495 /nfs/dbraw/zinc/18/04/95/564180495.db2.gz KZUBKXSDJSDEDF-FZMZJTMJSA-N 1 0 393.322 2.786 20 0 GFADRO C[C@H](CN1CCC[C@@](O)(C(F)(F)F)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000449322807 564180609 /nfs/dbraw/zinc/18/06/09/564180609.db2.gz QOBQPJWVBFKWCZ-CJNGLKHVSA-N 1 0 379.444 2.973 20 0 GFADRO COc1ccc(-n2cc(CN(C)CCn3cc(Br)cn3)cn2)cc1 ZINC000449330730 564180910 /nfs/dbraw/zinc/18/09/10/564180910.db2.gz VEWKVVZHLQISRN-UHFFFAOYSA-N 1 0 390.285 2.972 20 0 GFADRO CS(=O)(=O)C[C@H]1CCN(Cc2ccnc3c(Br)cccc23)C1 ZINC000449335170 564180952 /nfs/dbraw/zinc/18/09/52/564180952.db2.gz HOSBQPZYKYBQPF-LBPRGKRZSA-N 1 0 383.311 2.864 20 0 GFADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)Cc2c(Cl)cccc2Cl)CC1 ZINC000505368536 564181025 /nfs/dbraw/zinc/18/10/25/564181025.db2.gz LNBWBHDQHUSMNB-UHFFFAOYSA-N 1 0 386.323 2.549 20 0 GFADRO O=C(CNCc1cccc(F)c1Br)NCC[NH+]1CCCCCC1 ZINC000449340288 564181923 /nfs/dbraw/zinc/18/19/23/564181923.db2.gz NTDVVORMQIEZKT-UHFFFAOYSA-N 1 0 386.309 2.670 20 0 GFADRO C[C@H]1C[C@@H]([NH2+]CCn2cc(Br)ccc2=O)CN1Cc1ccccc1 ZINC000449373729 564182461 /nfs/dbraw/zinc/18/24/61/564182461.db2.gz CLJPFQOSSZSWIA-MAUKXSAKSA-N 1 0 390.325 2.863 20 0 GFADRO Cc1nc(-c2ccccc2F)sc1[C@@H](C)[NH2+][C@H]1CCN(S(C)(=O)=O)C1 ZINC000563263446 564183286 /nfs/dbraw/zinc/18/32/86/564183286.db2.gz GIZWOZKOQZACAB-YPMHNXCESA-N 1 0 383.514 2.942 20 0 GFADRO COCC[NH2+]C1CCN(C(=O)N[C@@H]2C[C@H]2c2ccc(Br)cc2)CC1 ZINC000563271599 564183502 /nfs/dbraw/zinc/18/35/02/564183502.db2.gz UACSFDIMBBUMQU-DLBZAZTESA-N 1 0 396.329 2.715 20 0 GFADRO C[NH+]1CCC([C@H]2CCN(C(=O)[C@@H]3Cc4cc(Br)ccc4O3)C2)CC1 ZINC000471054555 564183725 /nfs/dbraw/zinc/18/37/25/564183725.db2.gz YOMTWPUSWZACGO-KSSFIOAISA-N 1 0 393.325 2.943 20 0 GFADRO CN(C)C(=O)[C@@H]1CC[C@@H](C[NH2+][C@@H]2CCc3c2cc(Br)cc3F)O1 ZINC000538194757 564184783 /nfs/dbraw/zinc/18/47/83/564184783.db2.gz LFWCKYRXYYSCFV-XZJROXQQSA-N 1 0 385.277 2.801 20 0 GFADRO CCS(=O)(=O)C[C@H](C)[NH2+][C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1 ZINC000538218614 564185185 /nfs/dbraw/zinc/18/51/85/564185185.db2.gz XRQQEZSSVRCOON-QWHCGFSZSA-N 1 0 380.432 2.577 20 0 GFADRO COc1sc(C[N@@H+]2C[C@H](O)C[C@H]2[C@H]2CCCOC2)cc1Br ZINC000449432320 564186060 /nfs/dbraw/zinc/18/60/60/564186060.db2.gz GTSZPJIBQNXYTG-WDMOLILDSA-N 1 0 376.316 2.881 20 0 GFADRO CC[C@@H](CNS(C)(=O)=O)[NH2+]Cc1c(C)nn(-c2ccc(Cl)cc2)c1C ZINC000449443538 564187230 /nfs/dbraw/zinc/18/72/30/564187230.db2.gz STHVIGJHGYMQGO-HNNXBMFYSA-N 1 0 384.933 2.560 20 0 GFADRO CO[C@H]1COCC[C@@H]1C[NH2+]Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000449464809 564187849 /nfs/dbraw/zinc/18/78/49/564187849.db2.gz ZNRDUWZRSPSKTL-PBHICJAKSA-N 1 0 380.286 2.776 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(Cc3cc(Br)cc(Br)c3N)C[C@@H]21 ZINC000449520631 564190355 /nfs/dbraw/zinc/19/03/55/564190355.db2.gz GOJPZPKMJRMKFY-RNCFNFMXSA-N 1 0 389.135 2.930 20 0 GFADRO CN(C)c1ccncc1C[NH2+]C[C@@H](CO)Cc1cc(Br)ccc1F ZINC000449600584 564190661 /nfs/dbraw/zinc/19/06/61/564190661.db2.gz ONHOTBBHVPBLMZ-ZDUSSCGKSA-N 1 0 396.304 2.990 20 0 GFADRO COc1ccc(C[C@H](CO)C[NH2+]Cc2c(C)n[nH]c2C)cc1Br ZINC000449598027 564191087 /nfs/dbraw/zinc/19/10/87/564191087.db2.gz GYAIQPMMCAGSGZ-AWEZNQCLSA-N 1 0 382.302 2.738 20 0 GFADRO Cn1cc(I)c(C[NH2+][C@@H]2CCCC[C@H]2[C@H]2CCOC2)n1 ZINC000449603550 564191958 /nfs/dbraw/zinc/19/19/58/564191958.db2.gz GYLOOCSXJSWWOI-SGMGOOAPSA-N 1 0 389.281 2.710 20 0 GFADRO O=C(Nc1ccc(I)cc1F)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000563449680 564192151 /nfs/dbraw/zinc/19/21/51/564192151.db2.gz ZXRCBHLJEHNXOH-VHSXEESVSA-N 1 0 389.212 2.504 20 0 GFADRO CC[C@H](O)[C@H](CC)[NH2+]Cc1cc(I)c(OC)c(OC)c1 ZINC000449639291 564193131 /nfs/dbraw/zinc/19/31/31/564193131.db2.gz OJELTDFVSITCGV-STQMWFEESA-N 1 0 393.265 2.948 20 0 GFADRO CN(C)C(=O)[C@@H]1CC[C@H](C[NH2+][C@H]2CCc3cccc(Br)c3C2)O1 ZINC000563501760 564194256 /nfs/dbraw/zinc/19/42/56/564194256.db2.gz DSQJWMMXVFBTHF-VBQJREDUSA-N 1 0 381.314 2.532 20 0 GFADRO COc1cc(Br)ccc1CCCNC(=O)[C@@H]([NH3+])CCSC ZINC000563512555 564194565 /nfs/dbraw/zinc/19/45/65/564194565.db2.gz LIJSNVZFFRKXTK-ZDUSSCGKSA-N 1 0 375.332 2.587 20 0 GFADRO C[NH+](C)C1(CNC(=O)[C@@H]2C[C@@H]2c2cccc(Br)c2)CCOCC1 ZINC000506023500 564195034 /nfs/dbraw/zinc/19/50/34/564195034.db2.gz YXHIRUFEVWQOCY-HZPDHXFCSA-N 1 0 381.314 2.780 20 0 GFADRO Cc1c(Br)cccc1C[C@@H](CO)C[NH2+]Cc1cccc(C(N)=O)c1 ZINC000449680100 564195613 /nfs/dbraw/zinc/19/56/13/564195613.db2.gz FWGWSRBGSZWSJY-OAHLLOKOSA-N 1 0 391.309 2.797 20 0 GFADRO CCOc1c(Br)cc(C[N@H+](CCO)[C@@H]2CCO[C@H]2C)cc1OC ZINC000449678833 564195750 /nfs/dbraw/zinc/19/57/50/564195750.db2.gz QOLCZAHKQYFBAX-SWLSCSKDSA-N 1 0 388.302 2.828 20 0 GFADRO COc1ccc(Br)cc1C[C@@H](CO)C[NH2+]Cc1cncc(F)c1 ZINC000449678190 564195882 /nfs/dbraw/zinc/19/58/82/564195882.db2.gz DVPAYOYRZOORGI-CYBMUJFWSA-N 1 0 383.261 2.933 20 0 GFADRO COc1cccc(C[NH2+]C[C@@H](CO)Cc2cc(Br)ccc2OC)n1 ZINC000449678048 564196075 /nfs/dbraw/zinc/19/60/75/564196075.db2.gz DPAMPGITHRPJMK-ZDUSSCGKSA-N 1 0 395.297 2.802 20 0 GFADRO COc1ccc(Br)cc1C[C@H](CO)C[NH2+][C@@H]1CN(C2CC2)C[C@H]1C ZINC000449681888 564196134 /nfs/dbraw/zinc/19/61/34/564196134.db2.gz MSTVQVVYSSUKSF-QWQRMKEZSA-N 1 0 397.357 2.681 20 0 GFADRO CC1(C)C[NH2+]CC[C@@H]1NC(=O)COc1ccc(Br)cc1Cl ZINC000449696393 564197053 /nfs/dbraw/zinc/19/70/53/564197053.db2.gz KFPABOJRXMLHBZ-ZDUSSCGKSA-N 1 0 375.694 2.986 20 0 GFADRO O=C1CC[C@H]([NH+]2CCN(Cc3cnc(-c4cccs4)s3)CC2)CCN1 ZINC000449704025 564197858 /nfs/dbraw/zinc/19/78/58/564197858.db2.gz VBJMJLWAAYSARO-AWEZNQCLSA-N 1 0 376.551 2.658 20 0 GFADRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)C1 ZINC000449712045 564198216 /nfs/dbraw/zinc/19/82/16/564198216.db2.gz GCNWRYKQHWIKPQ-LYRGGWFBSA-N 1 0 384.307 2.842 20 0 GFADRO O=C(N[C@@H]1CCOc2c(Br)cccc21)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000563592402 564198455 /nfs/dbraw/zinc/19/84/55/564198455.db2.gz HTWACUINIAIWON-LALPHHSUSA-N 1 0 380.286 2.524 20 0 GFADRO [NH3+]CC[C@@H](NC(=O)[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)C(F)(F)F ZINC000449724277 564198899 /nfs/dbraw/zinc/19/88/99/564198899.db2.gz SWLGTXLMHVERCM-JOYOIKCWSA-N 1 0 398.212 2.742 20 0 GFADRO Cc1cc(CC(C)(C)NC(=O)NC[C@@H]2C[NH2+]CCCO2)ccc1Br ZINC000563609702 564199130 /nfs/dbraw/zinc/19/91/30/564199130.db2.gz KLYFAMKVGISBFU-HNNXBMFYSA-N 1 0 398.345 2.756 20 0 GFADRO [NH3+]CC[C@@H](NC(=O)c1[nH]nc(-c2ccccc2)c1Br)C(F)(F)F ZINC000449725867 564199251 /nfs/dbraw/zinc/19/92/51/564199251.db2.gz VXXSFYPKGOKTDB-SECBINFHSA-N 1 0 391.191 2.849 20 0 GFADRO COc1cc(C[NH2+]C[C@@H](O)C2CCC2)cc(I)c1OC ZINC000449742375 564199556 /nfs/dbraw/zinc/19/95/56/564199556.db2.gz ZKSGZRNCDXLLDU-CYBMUJFWSA-N 1 0 391.249 2.559 20 0 GFADRO Fc1cccc(F)c1CNc1cc(N2CCOCC2)c(Br)c[nH+]1 ZINC000449772057 564201582 /nfs/dbraw/zinc/20/15/82/564201582.db2.gz ZZRBLTSHQIWVRN-UHFFFAOYSA-N 1 0 384.224 3.571 20 0 GFADRO O=C(NCC[NH+]1CCC1)NCc1cc(Br)ccc1OC(F)F ZINC000506455294 564203170 /nfs/dbraw/zinc/20/31/70/564203170.db2.gz RIQLGLMOFIZPDO-UHFFFAOYSA-N 1 0 378.217 2.555 20 0 GFADRO C[NH+]1CCN(c2cccc(Cl)c2CNCc2n[nH]cc2Br)CC1 ZINC000538854544 564203174 /nfs/dbraw/zinc/20/31/74/564203174.db2.gz KZMHCKTZJNIMIN-UHFFFAOYSA-N 1 0 398.736 2.867 20 0 GFADRO Cc1sc(C(=O)N2CCC([NH+]3CCCCC3)CC2)cc1CS(C)(=O)=O ZINC000471812679 564204870 /nfs/dbraw/zinc/20/48/70/564204870.db2.gz WOIGBHOAKBKBDB-UHFFFAOYSA-N 1 0 384.567 2.692 20 0 GFADRO CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)CC[NH2+]C1CC1 ZINC000563732550 564205143 /nfs/dbraw/zinc/20/51/43/564205143.db2.gz MIPBGTBXMJHEJZ-UHFFFAOYSA-N 1 0 377.794 2.898 20 0 GFADRO CSCC[C@@H](CO)[NH2+][C@@H](C)CC(=O)Nc1ccc(Br)cc1 ZINC000539065410 564208390 /nfs/dbraw/zinc/20/83/90/564208390.db2.gz ISGLNMPNIRYLRD-FZMZJTMJSA-N 1 0 375.332 2.870 20 0 GFADRO NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNCc3ncc(Cl)s3)c2)C1 ZINC000472048409 564210872 /nfs/dbraw/zinc/21/08/72/564210872.db2.gz QCWDEHWFNUTSAG-HNNXBMFYSA-N 1 0 378.929 2.784 20 0 GFADRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)c1c(F)cccc1I ZINC000472050711 564211081 /nfs/dbraw/zinc/21/10/81/564211081.db2.gz BERWCCNPFKVVNV-NSHDSACASA-N 1 0 390.240 2.844 20 0 GFADRO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]C[C@@H]2CSc3ccccc3O2)c1 ZINC000563886349 564211451 /nfs/dbraw/zinc/21/14/51/564211451.db2.gz JFMVXOQBNRUUDN-UKRRQHHQSA-N 1 0 378.519 2.799 20 0 GFADRO CC(C)[C@H](CNc1ncc2scc(Br)c2n1)[NH+]1CCN(C)CC1 ZINC000563898249 564211943 /nfs/dbraw/zinc/21/19/43/564211943.db2.gz GQPAIGRCOAUJRR-ZDUSSCGKSA-N 1 0 398.374 3.138 20 0 GFADRO Cc1ccc2[nH]c(C[NH2+]C[C@H](O)CS(=O)(=O)c3cccs3)cc2c1C ZINC000472075858 564212163 /nfs/dbraw/zinc/21/21/63/564212163.db2.gz QZDKUGQWXIYARX-HNNXBMFYSA-N 1 0 378.519 2.771 20 0 GFADRO O=C([C@H]1Cc2cc(Br)ccc2O1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000472094865 564212597 /nfs/dbraw/zinc/21/25/97/564212597.db2.gz GFHYZCZSDUWVOH-NVXWUHKLSA-N 1 0 379.298 2.839 20 0 GFADRO O=C([C@@H]1Cc2cc(Br)ccc2O1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000472094866 564212983 /nfs/dbraw/zinc/21/29/83/564212983.db2.gz GFHYZCZSDUWVOH-RDJZCZTQSA-N 1 0 379.298 2.839 20 0 GFADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)CCOc1cccc(Cl)c1Cl ZINC000472095878 564213108 /nfs/dbraw/zinc/21/31/08/564213108.db2.gz QRIVSTMSAFRPKS-CQSZACIVSA-N 1 0 388.339 2.905 20 0 GFADRO C[NH+](C)[C@]1(CNC(=O)N[C@H]2CCO[C@@H]2c2ccc(Cl)cc2)CCSC1 ZINC000539227655 564214052 /nfs/dbraw/zinc/21/40/52/564214052.db2.gz RIKGWLRYKANEJK-JZXOWHBKSA-N 1 0 383.945 2.907 20 0 GFADRO C[C@@H](C[C@H]1CCCO1)[NH2+]CCS(=O)(=O)c1cccc(Br)c1 ZINC000563952664 564214984 /nfs/dbraw/zinc/21/49/84/564214984.db2.gz PCQJHAZDHHMADT-GXTWGEPZSA-N 1 0 376.316 2.770 20 0 GFADRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1ccc(I)cc1F ZINC000450106160 564217107 /nfs/dbraw/zinc/21/71/07/564217107.db2.gz NFOWJGIKFJZOBK-OTYXRUKQSA-N 1 0 388.224 2.643 20 0 GFADRO COCCCS(=O)(=O)NCC[N@@H+]1CCCCC[C@H]1/C=C\c1cccs1 ZINC000564047512 564217655 /nfs/dbraw/zinc/21/76/55/564217655.db2.gz NPOCQVAPEDZEMO-IBSYWUHOSA-N 1 0 386.583 2.962 20 0 GFADRO CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3cc4c(cc3Br)OCO4)[C@H]2C1 ZINC000564121161 564220741 /nfs/dbraw/zinc/22/07/41/564220741.db2.gz YOBBDTADENRKHE-DUVNUKRYSA-N 1 0 395.297 2.914 20 0 GFADRO CS[C@@H]1CN([C@H](C)C(=O)N(C)Cc2c(F)cccc2Cl)C[C@H]1[NH+](C)C ZINC000539483805 564221123 /nfs/dbraw/zinc/22/11/23/564221123.db2.gz QISIXSUCRYHASA-CSMYWGQOSA-N 1 0 387.952 2.803 20 0 GFADRO CC(C)[NH+]1CCC(O)(CNC(=O)[C@@H](C)Oc2cccc(Br)c2)CC1 ZINC000472438193 564223663 /nfs/dbraw/zinc/22/36/63/564223663.db2.gz FWSWXKGCUIXGLY-CQSZACIVSA-N 1 0 399.329 2.568 20 0 GFADRO CC(C)CS(=O)(=O)N1CCC([NH2+]Cc2cnc([C@@H]3CCCO3)s2)CC1 ZINC000539634698 564224342 /nfs/dbraw/zinc/22/43/42/564224342.db2.gz UFHFJTOPHCXZPQ-INIZCTEOSA-N 1 0 387.571 2.534 20 0 GFADRO C[NH+](C)CCOc1cnccc1CNC(=O)c1ccc(F)cc1Br ZINC000564200502 564224912 /nfs/dbraw/zinc/22/49/12/564224912.db2.gz FXCIDINXDWCAPZ-UHFFFAOYSA-N 1 0 396.260 2.854 20 0 GFADRO O=C(NC[C@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1)c1ccsc1Br ZINC000450289411 564225729 /nfs/dbraw/zinc/22/57/29/564225729.db2.gz VBXDEMBKGRTMCI-ZIAGYGMSSA-N 1 0 395.322 2.876 20 0 GFADRO Cc1cc(C[N@H+]2CCC[C@H](S(=O)(=O)N(C)C)C2)cc(C)c1OC(F)F ZINC000564312151 564228568 /nfs/dbraw/zinc/22/85/68/564228568.db2.gz COSYCPVUAQMCMT-HNNXBMFYSA-N 1 0 376.469 2.761 20 0 GFADRO CCN1CCN(C(=O)C(=O)Nc2cccc(Cl)c2Br)[C@@H](C)C1 ZINC000507489114 564229887 /nfs/dbraw/zinc/22/98/87/564229887.db2.gz ZCFAGIRHFGKTBC-JTQLQIEISA-N 1 0 388.693 2.594 20 0 GFADRO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1cnn2cc(Br)cnc12 ZINC000539874644 564230503 /nfs/dbraw/zinc/23/05/03/564230503.db2.gz NSUWGPGULKDGFJ-CQSZACIVSA-N 1 0 394.317 2.732 20 0 GFADRO CCC[N@H+](CC)C[C@@H](C)NS(=O)(=O)c1cc(OC)c(OC)cc1Cl ZINC000564402772 564232476 /nfs/dbraw/zinc/23/24/76/564232476.db2.gz DUGPWCFHJPUAHO-GFCCVEGCSA-N 1 0 378.922 2.756 20 0 GFADRO Cc1cccc(NC(=O)C(=O)N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)c1Br ZINC000507634544 564236024 /nfs/dbraw/zinc/23/60/24/564236024.db2.gz TXYCHTRRKKGJOO-KGLIPLIRSA-N 1 0 394.313 2.781 20 0 GFADRO Cc1ccc(NC(=O)C(=O)N2C[C@H]([NH+]3CCCC3)C[C@H]2C)cc1Br ZINC000507637184 564236417 /nfs/dbraw/zinc/23/64/17/564236417.db2.gz AZUZJWCUOZJUGC-UKRRQHHQSA-N 1 0 394.313 2.781 20 0 GFADRO C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+]C[C@H](O)C1CCOCC1 ZINC000540181319 564241084 /nfs/dbraw/zinc/24/10/84/564241084.db2.gz FVLQLERNBFJGID-LRDDRELGSA-N 1 0 385.302 2.543 20 0 GFADRO COCCCOc1ccc(Cl)cc1S(=O)(=O)N1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000507729154 564241366 /nfs/dbraw/zinc/24/13/66/564241366.db2.gz ZIVANWICPZDXDQ-UKRRQHHQSA-N 1 0 390.933 2.646 20 0 GFADRO CC(C)(CO)[C@@H]([NH2+]CCOc1ccc(S(C)(=O)=O)cc1)c1cccs1 ZINC000564615043 564241437 /nfs/dbraw/zinc/24/14/37/564241437.db2.gz QDNHRUROXKASTR-KRWDZBQOSA-N 1 0 383.535 2.880 20 0 GFADRO COCC[NH+]1CCC(N[C@@H](C)c2cc3c(cc2Br)OCCO3)CC1 ZINC000540191698 564241712 /nfs/dbraw/zinc/24/17/12/564241712.db2.gz QUVIVJJOXJPAJX-ZDUSSCGKSA-N 1 0 399.329 2.982 20 0 GFADRO OCC1(C[NH2+]C[C@H](O)COc2ccc(Cl)cc2Br)CCCC1 ZINC000564728051 564246242 /nfs/dbraw/zinc/24/62/42/564246242.db2.gz CDOFUWMIPIVRGF-ZDUSSCGKSA-N 1 0 392.721 2.985 20 0 GFADRO COC(=O)c1cc(N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)c2cc(Br)ccc2n1 ZINC000450777157 564247423 /nfs/dbraw/zinc/24/74/23/564247423.db2.gz IXQIEDMZOHNCAB-APPDUMDISA-N 1 0 390.281 2.924 20 0 GFADRO Cc1cc(Br)cc2c(C(=O)N3CCN(CC[NH+](C)C)CC3)coc21 ZINC000473495940 564247734 /nfs/dbraw/zinc/24/77/34/564247734.db2.gz FPQDRUNKBVYJLQ-UHFFFAOYSA-N 1 0 394.313 2.823 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)c2cc3ccc(Br)cc3[nH]2)CC12CCOCC2 ZINC000564806844 564249650 /nfs/dbraw/zinc/24/96/50/564249650.db2.gz FNUGEUAVDIJILP-CYBMUJFWSA-N 1 0 392.297 2.758 20 0 GFADRO Cc1csc(C(=O)N[C@@H](C)[C@@H]2CCC[NH2+]C2)c1I ZINC000564837583 564251360 /nfs/dbraw/zinc/25/13/60/564251360.db2.gz VSVPTRBPPYIQDZ-VHSXEESVSA-N 1 0 378.279 2.779 20 0 GFADRO O=C(NCCC[NH2+]C[C@@H](O)Cc1ccccc1)c1ccc(Br)cc1 ZINC000564847476 564252522 /nfs/dbraw/zinc/25/25/22/564252522.db2.gz NOVKFPNXORJIRF-SFHVURJKSA-N 1 0 391.309 2.762 20 0 GFADRO C[C@@H]1C[C@@H]([NH2+]C[C@H](O)COc2cc(F)cc(Br)c2)c2nccn21 ZINC000564858393 564252529 /nfs/dbraw/zinc/25/25/29/564252529.db2.gz CEEWIIPYMFEBSO-RIEGTJTDSA-N 1 0 384.249 2.820 20 0 GFADRO CO[C@@H](CC[NH2+]C[C@@H](O)COc1cccc(Br)c1)C(F)(F)F ZINC000564863002 564253821 /nfs/dbraw/zinc/25/38/21/564253821.db2.gz DYPKPSVWMATLQU-YPMHNXCESA-N 1 0 386.208 2.746 20 0 GFADRO O=C1N[C@@]2(CCC[NH2+]C2)C(=O)N1CC/C=C/c1ccc(Br)cc1 ZINC000564925721 564257887 /nfs/dbraw/zinc/25/78/87/564257887.db2.gz GFSNKIZIDRVOFN-NZURWCHMSA-N 1 0 378.270 2.526 20 0 GFADRO Cc1c(C(=O)NCc2cccc(C)c2Br)nnn1C1CC[NH2+]CC1 ZINC000564940318 564258487 /nfs/dbraw/zinc/25/84/87/564258487.db2.gz PNLDSOJSASUCLP-UHFFFAOYSA-N 1 0 392.301 2.512 20 0 GFADRO C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)N[C@H](CC[NH3+])C(F)F ZINC000564957314 564259041 /nfs/dbraw/zinc/25/90/41/564259041.db2.gz ATCYQZRQFZPZKD-GMSGAONNSA-N 1 0 385.636 2.969 20 0 GFADRO C[C@@]1(C[NH3+])CCN(C(=O)[C@@H](c2ccc(Br)cc2)N2CCCC2)C1 ZINC000564949463 564259256 /nfs/dbraw/zinc/25/92/56/564259256.db2.gz MUMJOSVNNGWHOQ-AEFFLSMTSA-N 1 0 380.330 2.783 20 0 GFADRO Cc1cc(Br)cc(S(=O)(=O)N[C@@H](C)C[NH+]2CCCCC2)c1 ZINC000473952015 564259747 /nfs/dbraw/zinc/25/97/47/564259747.db2.gz VCLFTXFBGZLXKQ-ZDUSSCGKSA-N 1 0 375.332 2.910 20 0 GFADRO CCC[C@H]1C[NH2+]CCN1CC(=O)Nc1c(F)cc(F)cc1Br ZINC000564987903 564260863 /nfs/dbraw/zinc/26/08/63/564260863.db2.gz UCGHERTZQBLBNV-NSHDSACASA-N 1 0 376.245 2.740 20 0 GFADRO CC(C)[C@@H]([NH2+]CCNS(=O)(=O)Cc1ccon1)c1ccc(Cl)cc1F ZINC000540987420 564262271 /nfs/dbraw/zinc/26/22/71/564262271.db2.gz PTXYUKVWVYSLNJ-MRXNPFEDSA-N 1 0 389.880 2.873 20 0 GFADRO C[C@H]1C[N@H+](C)C[C@H]1C(=O)Nc1c(-c2ccc(Br)cc2)ncn1C ZINC000508396684 564262677 /nfs/dbraw/zinc/26/26/77/564262677.db2.gz ILRRMCHAJYAQGP-SMDDNHRTSA-N 1 0 377.286 2.986 20 0 GFADRO Cc1c(Br)cccc1S(=O)(=O)NCC1([NH+](C)C)CCCC1 ZINC000474065979 564263432 /nfs/dbraw/zinc/26/34/32/564263432.db2.gz NDGQFHSQYBVZBM-UHFFFAOYSA-N 1 0 375.332 2.910 20 0 GFADRO CC[NH+](CC)CCN(C(=O)[C@H](OC)C1CC1)c1ccc(Br)cn1 ZINC000565048669 564263809 /nfs/dbraw/zinc/26/38/09/564263809.db2.gz QIEKYXVPMQFSOE-MRXNPFEDSA-N 1 0 384.318 2.944 20 0 GFADRO C[C@](CO)(NCc1cc2c(c(Br)c1)OCO2)c1cccc(O)c1 ZINC000451031831 564264811 /nfs/dbraw/zinc/26/48/11/564264811.db2.gz NPACHQDHPJJWAR-QGZVFWFLSA-N 1 0 380.238 2.881 20 0 GFADRO CC[C@@H](C)[N@H+](C)CCNS(=O)(=O)c1cc(Br)c(C)cc1OC ZINC000474101132 564264917 /nfs/dbraw/zinc/26/49/17/564264917.db2.gz VGSIARMXSCZNQG-GFCCVEGCSA-N 1 0 393.347 2.775 20 0 GFADRO C[C@@](CO)([NH2+]C[C@H](O)COc1ccc(Cl)cc1Cl)c1cccc(O)c1 ZINC000451042546 564267209 /nfs/dbraw/zinc/26/72/09/564267209.db2.gz VYHGKZPJDGEOGL-YJBOKZPZSA-N 1 0 386.275 2.936 20 0 GFADRO C[C@@H]1CCc2ccc(Br)cc2[C@H]([NH2+]C[C@H](O)Cn2ccnn2)C1 ZINC000565141196 564267766 /nfs/dbraw/zinc/26/77/66/564267766.db2.gz DINIVIZIEAEXCN-ISTRZQFTSA-N 1 0 379.302 2.705 20 0 GFADRO CCC[N@H+](CC(=O)N(C)Cc1cc(Br)cs1)CC(C)(C)O ZINC000474174863 564268439 /nfs/dbraw/zinc/26/84/39/564268439.db2.gz VQHRSYKCWLSKEP-UHFFFAOYSA-N 1 0 377.348 2.952 20 0 GFADRO COCCN(C)C[C@@H](O)C[NH+]1CCC(c2cccc(Br)c2)CC1 ZINC000565164225 564268711 /nfs/dbraw/zinc/26/87/11/564268711.db2.gz MJOASMUNQBGMLF-GOSISDBHSA-N 1 0 385.346 2.568 20 0 GFADRO COc1cc(C(F)(F)F)cc(S(=O)(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)c1 ZINC000451060495 564269128 /nfs/dbraw/zinc/26/91/28/564269128.db2.gz YGRYGKQQFJOGHE-LSDHHAIUSA-N 1 0 378.416 2.619 20 0 GFADRO C[C@@H](CNS(=O)(=O)Cc1ccc(Br)c(F)c1)C[NH+]1CCCC1 ZINC000451093336 564272972 /nfs/dbraw/zinc/27/29/72/564272972.db2.gz YDNPQXBBNMPZEO-LBPRGKRZSA-N 1 0 393.322 2.740 20 0 GFADRO C[C@@H](CNS(=O)(=O)c1ccc(OCC(F)F)cc1)[N@@H+]1CCC[C@H](C)C1 ZINC000541326368 564275110 /nfs/dbraw/zinc/27/51/10/564275110.db2.gz CYHDKAGSGAOIJO-KBPBESRZSA-N 1 0 376.469 2.729 20 0 GFADRO C[C@H](CC[NH2+]Cc1ccc(Br)cc1N1CCOCC1)[S@](C)=O ZINC000474356645 564276106 /nfs/dbraw/zinc/27/61/06/564276106.db2.gz RHXAOQLSKFVYFL-DMZKTXOQSA-N 1 0 389.359 2.532 20 0 GFADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2cn3cc(Cl)cc(Cl)c3n2)C1 ZINC000509047726 564279534 /nfs/dbraw/zinc/27/95/34/564279534.db2.gz CBJYGPXVIRHFQV-ZDUSSCGKSA-N 1 0 385.295 2.728 20 0 GFADRO O=S1(=O)CC[C@H](C[NH2+]Cc2ccc(Br)cc2C(F)(F)F)C1 ZINC000474458138 564280015 /nfs/dbraw/zinc/28/00/15/564280015.db2.gz HYUGEHJGWULTPL-SECBINFHSA-N 1 0 386.233 2.992 20 0 GFADRO CC1(c2cccc(Br)c2)CC[NH+](CC(=O)NC(=O)NC2CC2)CC1 ZINC000509077987 564281031 /nfs/dbraw/zinc/28/10/31/564281031.db2.gz MHDUIIYPUOWMMB-UHFFFAOYSA-N 1 0 394.313 2.791 20 0 GFADRO CN(CC[N@H+](C)C1CC1)C(=O)[C@@]12CCC(=O)N1c1cc(Cl)ccc1S2 ZINC000474566270 564281230 /nfs/dbraw/zinc/28/12/30/564281230.db2.gz INTIFDNOUMAMDX-SFHVURJKSA-N 1 0 379.913 2.821 20 0 GFADRO CC[C@H]([NH2+][C@H](C)Cc1ccc(F)cc1Br)C(=O)N1CCOCC1 ZINC000565472524 564282753 /nfs/dbraw/zinc/28/27/53/564282753.db2.gz DJLHNAQIVGCZBI-WBMJQRKESA-N 1 0 387.293 2.746 20 0 GFADRO COC(=O)C[C@@H]1CC[C@H]([NH2+]CCNC(=O)c2ccc(Br)cc2)[C@H]1C ZINC000474626325 564283610 /nfs/dbraw/zinc/28/36/10/564283610.db2.gz DTLPWGLTBZAWNM-NOLJZWGESA-N 1 0 397.313 2.746 20 0 GFADRO CN(C)C(=O)CC[N@@H+]1CC[C@@H](Cc2cccc(I)c2)C1 ZINC000451185575 564284110 /nfs/dbraw/zinc/28/41/10/564284110.db2.gz CWLCIRITRPHJBQ-AWEZNQCLSA-N 1 0 386.277 2.634 20 0 GFADRO CSC[C@@H](O)C[N@@H+]1CC[C@H](Cc2cccc(I)c2)C1 ZINC000451196165 564285217 /nfs/dbraw/zinc/28/52/17/564285217.db2.gz VUGNOAVCKFUHKX-HIFRSBDPSA-N 1 0 391.318 2.880 20 0 GFADRO CSC[C@H](O)C[N@@H+]1CC[C@H](Cc2cccc(I)c2)C1 ZINC000451196167 564285672 /nfs/dbraw/zinc/28/56/72/564285672.db2.gz VUGNOAVCKFUHKX-UKRRQHHQSA-N 1 0 391.318 2.880 20 0 GFADRO OCCCSCC[NH2+]Cc1c(F)ccc(I)c1F ZINC000474721123 564286594 /nfs/dbraw/zinc/28/65/94/564286594.db2.gz SDIIMGWVURORTQ-UHFFFAOYSA-N 1 0 387.233 2.775 20 0 GFADRO C[C@@H]([NH2+]CCS(=O)(=O)N1CCSCC1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000474708092 564286939 /nfs/dbraw/zinc/28/69/39/564286939.db2.gz BOKZMPNXRDWQOI-FRRDWIJNSA-N 1 0 395.015 2.862 20 0 GFADRO C[C@@H](CCc1ccc(I)cc1)[NH2+]CC1(O)CCOCC1 ZINC000474723394 564286953 /nfs/dbraw/zinc/28/69/53/564286953.db2.gz PMOANYUMMIVETF-ZDUSSCGKSA-N 1 0 389.277 2.743 20 0 GFADRO C[C@@H]([NH2+][C@H]1CCOC1(C)C)C(=O)Nc1cccc(I)c1 ZINC000451235575 564289963 /nfs/dbraw/zinc/28/99/63/564289963.db2.gz KBAFSBCXDQSPAK-MFKMUULPSA-N 1 0 388.249 2.775 20 0 GFADRO CC1(C)OCC[C@@H]1[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000451235093 564290417 /nfs/dbraw/zinc/29/04/17/564290417.db2.gz HKNCCHMJKKKXQJ-RISCZKNCSA-N 1 0 378.694 2.999 20 0 GFADRO CC(C)(C)C[C@H](CO)[NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000565658416 564290493 /nfs/dbraw/zinc/29/04/93/564290493.db2.gz NETMGOFDRNPIIK-ZIAGYGMSSA-N 1 0 378.282 2.715 20 0 GFADRO CC(C)OCC[NH+]1CCC(NC(=O)C(=O)c2ccc(Br)cc2)CC1 ZINC000474877571 564292018 /nfs/dbraw/zinc/29/20/18/564292018.db2.gz MEPJIWDFZNOKEP-UHFFFAOYSA-N 1 0 397.313 2.637 20 0 GFADRO C[C@H](CC[NH2+]Cc1c(F)ccc(I)c1F)[S@@](C)=O ZINC000474882884 564292052 /nfs/dbraw/zinc/29/20/52/564292052.db2.gz MSGSDZOGSUYIDO-NTCNTBNZSA-N 1 0 387.233 2.816 20 0 GFADRO C[C@H]1CC[N@H+](CCNC(=O)c2ccc(I)cc2F)C1 ZINC000565698233 564292247 /nfs/dbraw/zinc/29/22/47/564292247.db2.gz PSHMCDQMDXODLD-JTQLQIEISA-N 1 0 376.213 2.502 20 0 GFADRO C[C@@H](CC[NH2+]Cc1c(F)ccc(I)c1F)[S@@](C)=O ZINC000474882883 564292338 /nfs/dbraw/zinc/29/23/38/564292338.db2.gz MSGSDZOGSUYIDO-DCXZOGHSSA-N 1 0 387.233 2.816 20 0 GFADRO CC[C@@H]1[C@H](CO)CC[N@@H+]1C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000451249232 564292408 /nfs/dbraw/zinc/29/24/08/564292408.db2.gz BNNSPWTUQBSJEF-NJZAAPMLSA-N 1 0 392.721 2.935 20 0 GFADRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NCCNc1cccc(Br)c1 ZINC000541848831 564292860 /nfs/dbraw/zinc/29/28/60/564292860.db2.gz CWBNOTNNQXJHJK-LRDDRELGSA-N 1 0 381.318 2.643 20 0 GFADRO Cc1nc2ccc(Br)cn2c1C(=O)NCC[N@H+]1CCC[C@H](C)C1 ZINC000474908872 564293089 /nfs/dbraw/zinc/29/30/89/564293089.db2.gz PGCVKSUWZCKQEB-LBPRGKRZSA-N 1 0 379.302 2.867 20 0 GFADRO CN(CC[N@H+](C)C[C@H]1CCCC(F)(F)C1)c1ccc(S(N)(=O)=O)cc1 ZINC000451274084 564293863 /nfs/dbraw/zinc/29/38/63/564293863.db2.gz FKGRDYAYXWWDIT-AWEZNQCLSA-N 1 0 375.485 2.528 20 0 GFADRO C[C@H](CCc1ccc(I)cc1)[NH2+]CCCn1ccnn1 ZINC000474928206 564294065 /nfs/dbraw/zinc/29/40/65/564294065.db2.gz SNYLCQINAVLGNJ-CYBMUJFWSA-N 1 0 384.265 2.884 20 0 GFADRO Cc1n[nH]c(CC[NH2+][C@@H](C)CCc2ccc(I)cc2)n1 ZINC000474943814 564294874 /nfs/dbraw/zinc/29/48/74/564294874.db2.gz NZPOQMMRMLKBFO-NSHDSACASA-N 1 0 384.265 2.871 20 0 GFADRO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1c1cc(C(F)(F)F)c(Br)cn1 ZINC000565830160 564297511 /nfs/dbraw/zinc/29/75/11/564297511.db2.gz FZXKVHPMBIKSSI-UWVGGRQHSA-N 1 0 382.224 2.754 20 0 GFADRO COc1ccccc1[C@H](CO)[NH2+]C[C@@H](O)COc1ccc(Br)cc1 ZINC000541985492 564297605 /nfs/dbraw/zinc/29/76/05/564297605.db2.gz YZSBVENUTNZZEQ-PBHICJAKSA-N 1 0 396.281 2.521 20 0 GFADRO CN(Cc1cc(Br)cs1)C(=O)C[NH2+][C@H](CO)C1CCCCC1 ZINC000541981145 564297633 /nfs/dbraw/zinc/29/76/33/564297633.db2.gz RFVDMKFFHZQHIZ-OAHLLOKOSA-N 1 0 389.359 3.000 20 0 GFADRO COC(=O)c1cccc(OCC[NH2+][C@H](CO)c2ccc(Br)cc2)c1 ZINC000541981562 564297799 /nfs/dbraw/zinc/29/77/99/564297799.db2.gz RPPLXBMFGBXSJZ-QGZVFWFLSA-N 1 0 394.265 2.938 20 0 GFADRO O[C@H](COc1c(Cl)cccc1Cl)C[N@@H+]1C[C@H](O)C[C@H]1[C@@H]1CCCOC1 ZINC000451294650 564297996 /nfs/dbraw/zinc/29/79/96/564297996.db2.gz CNFMFIXILLUPCC-WVZRYYJFSA-N 1 0 390.307 2.595 20 0 GFADRO CCN(C)C(=O)[C@@H]([NH2+]CC(=O)N[C@H](C)c1ccc(Br)cc1)C(C)C ZINC000451319251 564300110 /nfs/dbraw/zinc/30/01/10/564300110.db2.gz ZNVNCMVKIIKXAU-DYVFJYSZSA-N 1 0 398.345 2.719 20 0 GFADRO COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000509461854 564300481 /nfs/dbraw/zinc/30/04/81/564300481.db2.gz FNQAGTQUMSDEIE-KOLCDFICSA-N 1 0 395.308 2.541 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NCc1cn2cc(Br)ccc2n1 ZINC000475116830 564300624 /nfs/dbraw/zinc/30/06/24/564300624.db2.gz GMBSXKOHMUNMKX-HNNXBMFYSA-N 1 0 394.317 2.723 20 0 GFADRO C[C@@H]1CN(C[C@H](O)C[NH2+]Cc2ccc(Br)cc2Cl)C[C@H](C)O1 ZINC000565887375 564300859 /nfs/dbraw/zinc/30/08/59/564300859.db2.gz MRQIHFDYBXYXDG-TYNCELHUSA-N 1 0 391.737 2.662 20 0 GFADRO O=C(NCC1([NH+]2CCSCC2)CCCC1)[C@H](O)Cc1ccccc1Cl ZINC000542102716 564301173 /nfs/dbraw/zinc/30/11/73/564301173.db2.gz BBZCZPJQRQFIHX-QGZVFWFLSA-N 1 0 382.957 2.721 20 0 GFADRO COc1ccc(Br)c(CN(C)C(=O)NC[C@H]2CCC[N@H+](C)C2)c1 ZINC000565928488 564302456 /nfs/dbraw/zinc/30/24/56/564302456.db2.gz AHCTYDZZXUZZNN-CYBMUJFWSA-N 1 0 384.318 2.941 20 0 GFADRO Cc1ccc(C[N@H+](CCO)C[C@@H](O)COc2cccc(Br)c2)cc1 ZINC000542135737 564302537 /nfs/dbraw/zinc/30/25/37/564302537.db2.gz XGTNNFOJFQSVAF-GOSISDBHSA-N 1 0 394.309 2.992 20 0 GFADRO O=S(=O)(c1cscn1)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000565948087 564303506 /nfs/dbraw/zinc/30/35/06/564303506.db2.gz KGEMFSSJLVNTJU-UHFFFAOYSA-N 1 0 377.535 2.820 20 0 GFADRO O=C(NCC[C@@H]1CC[NH2+]C1)N1CCO[C@@H](c2cccc(Br)c2)C1 ZINC000565941272 564303659 /nfs/dbraw/zinc/30/36/59/564303659.db2.gz XMXNXZAJJHSZFB-XJKSGUPXSA-N 1 0 382.302 2.532 20 0 GFADRO C[N@@H+]1CCC[C@H](CNC(=O)NCC[C@@H](O)C(F)(F)F)[C@H]1c1cccs1 ZINC000542186515 564304136 /nfs/dbraw/zinc/30/41/36/564304136.db2.gz VMGCJDNAHFQOBL-BNOWGMLFSA-N 1 0 379.448 2.744 20 0 GFADRO CC[C@@H](C)[NH2+][C@@H](CNC(=O)NCCn1cc(Br)cn1)c1ccco1 ZINC000509596822 564305180 /nfs/dbraw/zinc/30/51/80/564305180.db2.gz UYXHHXMOFIQBAB-OCCSQVGLSA-N 1 0 398.305 2.667 20 0 GFADRO CC(C)CN(CC[NH+](C)C)C(=O)NCCOc1ncc(Cl)cc1Cl ZINC000475372058 564306900 /nfs/dbraw/zinc/30/69/00/564306900.db2.gz WHHMPAWXXGNVNE-UHFFFAOYSA-N 1 0 377.316 2.996 20 0 GFADRO CC[N@@H+]1CCC[C@H](CNC(=O)c2c(C)nc3ccc(Br)cn32)C1 ZINC000475380921 564307016 /nfs/dbraw/zinc/30/70/16/564307016.db2.gz KFMHSCFJIZJDEJ-CYBMUJFWSA-N 1 0 379.302 2.867 20 0 GFADRO C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)c1cc(=O)[nH]c2c(Br)cccc12 ZINC000509670207 564309271 /nfs/dbraw/zinc/30/92/71/564309271.db2.gz ZJOVTFBFUFIYEQ-GHMZBOCLSA-N 1 0 378.270 2.868 20 0 GFADRO C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]C[C@@H]1CCCCS1(=O)=O ZINC000542483915 564315144 /nfs/dbraw/zinc/31/51/44/564315144.db2.gz UYVXERFTCXCKDB-ZBFHGGJFSA-N 1 0 386.945 2.634 20 0 GFADRO C[C@H](CCC(F)(F)F)[NH2+]Cc1ccc(S(=O)(=O)N2CCOCC2)s1 ZINC000542481743 564315216 /nfs/dbraw/zinc/31/52/16/564315216.db2.gz BXKIMRYBPHKCEY-LLVKDONJSA-N 1 0 386.461 2.590 20 0 GFADRO Cc1c([C@@H](C)[NH2+]CCCn2ccnn2)nnn1-c1cccc(Br)c1 ZINC000542489453 564316373 /nfs/dbraw/zinc/31/63/73/564316373.db2.gz JDJAKGGJCZUQSZ-GFCCVEGCSA-N 1 0 390.289 2.671 20 0 GFADRO C[C@@H](C(N)=O)[N@H+](CCOc1cccc(Br)c1)C[C@@H]1CCCS1 ZINC000475689192 564316423 /nfs/dbraw/zinc/31/64/23/564316423.db2.gz QCCQWNYFWYLATL-WFASDCNBSA-N 1 0 387.343 2.899 20 0 GFADRO [NH3+][C@@H]1CCC[C@H](CNC(=O)[C@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)C1 ZINC000566212555 564317145 /nfs/dbraw/zinc/31/71/45/564317145.db2.gz UICPHGYMAQQHSS-IACUBPJLSA-N 1 0 384.307 2.980 20 0 GFADRO CN1CCN(C)[C@H](c2noc([C@@H]3CCc4cc(Br)ccc43)n2)C1 ZINC000566217667 564317194 /nfs/dbraw/zinc/31/71/94/564317194.db2.gz VMJQHAWNAAAPAC-CABCVRRESA-N 1 0 377.286 2.829 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]1C1CCN(S(=O)(=O)c2ccc(Cl)c(F)c2Cl)CC1 ZINC000566224244 564317214 /nfs/dbraw/zinc/31/72/14/564317214.db2.gz VVBVTPUSAHMLRV-ABAIWWIYSA-N 1 0 397.299 2.649 20 0 GFADRO CCCC[C@@H]([NH2+]CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl)C1CCC1 ZINC000542521016 564317586 /nfs/dbraw/zinc/31/75/86/564317586.db2.gz IPYWMUMSFBGVRU-OAHLLOKOSA-N 1 0 387.933 2.874 20 0 GFADRO CCC[N@H+](C)CC(=O)NC1CCN(Cc2ccc(Br)cc2)CC1 ZINC000475718981 564317611 /nfs/dbraw/zinc/31/76/11/564317611.db2.gz DVOSVEJXSHRNHV-UHFFFAOYSA-N 1 0 382.346 2.872 20 0 GFADRO Cc1ccc(C[C@@H](CO)[NH2+]C[C@H](O)COc2cccc(Br)c2)cc1 ZINC000566232093 564317896 /nfs/dbraw/zinc/31/78/96/564317896.db2.gz YNHMLPAGWZNFFX-ROUUACIJSA-N 1 0 394.309 2.690 20 0 GFADRO C[C@H]1OCC[C@@H]1C(=O)Nc1ccc(CN2CC[NH+](C)CC2)c(Br)c1 ZINC000475747904 564318319 /nfs/dbraw/zinc/31/83/19/564318319.db2.gz FYJNMWGHVNDOLD-CJNGLKHVSA-N 1 0 396.329 2.560 20 0 GFADRO Cc1nc(-c2ccc(S(=O)(=O)N3CC[C@@]4(C3)CCC[NH2+]C4)s2)cs1 ZINC000566228295 564318436 /nfs/dbraw/zinc/31/84/36/564318436.db2.gz FYMJMTFIVLTFSA-INIZCTEOSA-N 1 0 383.564 2.944 20 0 GFADRO CO[C@@H]1C[C@@H]([NH2+]CC(=O)Nc2ccccc2I)C1(C)C ZINC000451487842 564318703 /nfs/dbraw/zinc/31/87/03/564318703.db2.gz FYKMCNLHJMSIRL-CHWSQXEVSA-N 1 0 388.249 2.633 20 0 GFADRO O[C@H](C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2)COc1ccc(Br)cc1 ZINC000451503503 564319907 /nfs/dbraw/zinc/31/99/07/564319907.db2.gz QNINMCOTCDYRJF-MWQQHZPXSA-N 1 0 382.298 2.736 20 0 GFADRO CC[NH+](CC)C[C@@H](C)NS(=O)(=O)c1c(Cl)cc(Cl)cc1C(=O)OC ZINC000509967581 564320303 /nfs/dbraw/zinc/32/03/03/564320303.db2.gz JZOUSRNSCYCHIP-SNVBAGLBSA-N 1 0 397.324 2.789 20 0 GFADRO CN(Cc1ccccc1Br)C(=O)C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000451499149 564320318 /nfs/dbraw/zinc/32/03/18/564320318.db2.gz MHHBSGGGOKRZMO-QGTPRVQTSA-N 1 0 393.325 2.955 20 0 GFADRO CS(=O)(=O)N1CC[C@@H](C[NH+]2CCC(F)(Cc3ccc(Cl)cc3)CC2)C1 ZINC000451526567 564322656 /nfs/dbraw/zinc/32/26/56/564322656.db2.gz HXPABOUWRPLPOB-INIZCTEOSA-N 1 0 388.936 2.968 20 0 GFADRO C[C@@H](C[NH2+][C@@H](Cc1ccccc1)C(N)=O)Oc1ccccc1Br ZINC000542730437 564323222 /nfs/dbraw/zinc/32/32/22/564323222.db2.gz XMZAPLIMFOWXNN-BBRMVZONSA-N 1 0 377.282 2.903 20 0 GFADRO Cc1nc2ccc(Br)cn2c1C(=O)N(C)[C@H]1C[NH+]2CCC1CC2 ZINC000475929368 564324631 /nfs/dbraw/zinc/32/46/31/564324631.db2.gz GMSDNWWLZUSDRP-AWEZNQCLSA-N 1 0 377.286 2.571 20 0 GFADRO COCC[NH2+]C1CCN(C(=O)N[C@H](C)Cc2cccc(Br)c2)CC1 ZINC000566352251 564325003 /nfs/dbraw/zinc/32/50/03/564325003.db2.gz DSZFQSIXIFZCNN-CQSZACIVSA-N 1 0 398.345 2.790 20 0 GFADRO C[C@H](c1nc(N)nc(N(C)C)n1)N1CC[C@@H](c2cccc(Br)c2)C1 ZINC000451573187 564327649 /nfs/dbraw/zinc/32/76/49/564327649.db2.gz TWGBMFBANTYXEQ-DGCLKSJQSA-N 1 0 391.317 2.833 20 0 GFADRO CSC[C@H]([NH2+]C[C@H]1CCN(S(C)(=O)=O)C1)c1ccc(C(F)(F)F)cc1 ZINC000542850539 564328983 /nfs/dbraw/zinc/32/89/83/564328983.db2.gz YVVQQMLKTZESFW-DOMZBBRYSA-N 1 0 396.500 2.981 20 0 GFADRO C[C@H]1C[C@@H](NC(=O)Nc2ccc(I)cc2F)CC[NH2+]1 ZINC000566504106 564330311 /nfs/dbraw/zinc/33/03/11/564330311.db2.gz ANJUFALCQPZFSR-WPRPVWTQSA-N 1 0 377.201 2.692 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+]C[C@H]2CSc3ccccc3O2)cc1Cl ZINC000566561425 564332122 /nfs/dbraw/zinc/33/21/22/564332122.db2.gz OYTHCTDZLNLAAY-LBPRGKRZSA-N 1 0 384.910 2.630 20 0 GFADRO Cc1ccc(Br)c(S(=O)(=O)N[C@H](c2nccn2C)C2CC2)c1 ZINC000510440785 564333087 /nfs/dbraw/zinc/33/30/87/564333087.db2.gz DMMQZYNUXNZXHA-AWEZNQCLSA-N 1 0 384.299 2.921 20 0 GFADRO CO[C@@H]1CCC[C@H]1[NH2+]CC(=O)Nc1ccc(I)cc1C ZINC000451625474 564333250 /nfs/dbraw/zinc/33/32/50/564333250.db2.gz WDFDIXTXBPWHSR-ZIAGYGMSSA-N 1 0 388.249 2.695 20 0 GFADRO CCN(CC[NH+]1CCCCCC1)S(=O)(=O)c1c(C)csc1C(=O)OC ZINC000566578800 564333614 /nfs/dbraw/zinc/33/36/14/564333614.db2.gz BENWNNSFYYVLSM-UHFFFAOYSA-N 1 0 388.555 2.730 20 0 GFADRO CC[NH2+]CCCNC(=O)Nc1ccnn1Cc1cccc(Br)c1 ZINC000566608635 564334091 /nfs/dbraw/zinc/33/40/91/564334091.db2.gz ASWAWGQWIXGKJT-UHFFFAOYSA-N 1 0 380.290 2.815 20 0 GFADRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1S(=O)(=O)c1ccc(OC(F)F)c(F)c1 ZINC000510517205 564336747 /nfs/dbraw/zinc/33/67/47/564336747.db2.gz HAAVSXVPOWWBLM-NEPJUHHUSA-N 1 0 378.416 2.674 20 0 GFADRO Cc1cc(C(=O)NCCOCC[NH+](C)C)c2cc(Br)ccc2n1 ZINC000476350438 564336815 /nfs/dbraw/zinc/33/68/15/564336815.db2.gz NGWQNTBIJRPNBD-UHFFFAOYSA-N 1 0 380.286 2.614 20 0 GFADRO CS(=O)(=O)N1CC[C@H](C[NH2+][C@@H]2CCCc3c(Br)cccc32)C1 ZINC000543113806 564338340 /nfs/dbraw/zinc/33/83/40/564338340.db2.gz FGMPHKMJPUDNGR-MLGOLLRUSA-N 1 0 387.343 2.698 20 0 GFADRO Cn1nccc1N1CCC[C@H]([NH2+]Cc2cc3c(cc2Br)OCO3)C1 ZINC000566732163 564340025 /nfs/dbraw/zinc/34/00/25/564340025.db2.gz WSPXNISLOHHDKB-ZDUSSCGKSA-N 1 0 393.285 2.670 20 0 GFADRO CC[C@@H]1C[N@H+](CC)CCN1CC(=O)N(C)Cc1cc(Br)cs1 ZINC000451732275 564344676 /nfs/dbraw/zinc/34/46/76/564344676.db2.gz SLWCOUXOXVERJL-CQSZACIVSA-N 1 0 388.375 2.885 20 0 GFADRO O=C([C@H]1C[N@@H+]2CCN1CCC2)N(Cc1cccc(Br)c1)CC1CC1 ZINC000476561124 564344831 /nfs/dbraw/zinc/34/48/31/564344831.db2.gz AUHMUYQVNZIMBQ-GOSISDBHSA-N 1 0 392.341 2.578 20 0 GFADRO C[C@@H](CNS(=O)(=O)c1ccc(Cl)cc1Br)[N@H+](C)C1CC1 ZINC000543247141 564345101 /nfs/dbraw/zinc/34/51/01/564345101.db2.gz ULRIXLSOEOSXCD-VIFPVBQESA-N 1 0 381.723 2.864 20 0 GFADRO COC(=O)c1cc(S(=O)(=O)NC(C)(C)CC[NH+]2CCCCCC2)cs1 ZINC000476584202 564346469 /nfs/dbraw/zinc/34/64/69/564346469.db2.gz XYMDGVBBOUVUPE-UHFFFAOYSA-N 1 0 388.555 2.858 20 0 GFADRO C[C@H](C[NH+]1CCCCCC1)NS(=O)(=O)c1ccc(OCC(F)F)cc1 ZINC000476611399 564347694 /nfs/dbraw/zinc/34/76/94/564347694.db2.gz NSXPOFQEZZXJFZ-CQSZACIVSA-N 1 0 376.469 2.873 20 0 GFADRO C[NH+](C)[C@H]1CCCN(c2ncnc3cccc(I)c32)C1 ZINC000543413397 564349551 /nfs/dbraw/zinc/34/95/51/564349551.db2.gz KFCKLPREEQSEIT-NSHDSACASA-N 1 0 382.249 2.765 20 0 GFADRO COCCN1CC[C@H]([NH2+]CCCOc2ncc(C(F)(F)F)cc2Cl)C1 ZINC000543415506 564350319 /nfs/dbraw/zinc/35/03/19/564350319.db2.gz ZYUSQOTUWGGQPF-ZDUSSCGKSA-N 1 0 381.826 2.833 20 0 GFADRO Cc1cc(N2CCC[C@@H]([N@H+](CCO)CC3CC3)C2=O)ccc1Br ZINC000510947039 564351058 /nfs/dbraw/zinc/35/10/58/564351058.db2.gz MECCJXSVTHUHEB-QGZVFWFLSA-N 1 0 381.314 2.957 20 0 GFADRO CN(C)CC[N@H+](C)CCCNC(=O)c1cc2c(Br)cccc2cn1 ZINC000451792227 564352262 /nfs/dbraw/zinc/35/22/62/564352262.db2.gz AIYXRIRPZNSPES-UHFFFAOYSA-N 1 0 393.329 2.611 20 0 GFADRO Cc1nccn1CCC[NH2+][C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000510990646 564352709 /nfs/dbraw/zinc/35/27/09/564352709.db2.gz DCQQNKRVAJUOTD-OAHLLOKOSA-N 1 0 398.326 2.852 20 0 GFADRO CCO[C@@H]1C[C@@H]([NH2+]CCNS(=O)(=O)c2ccc(F)cc2Cl)C1(C)C ZINC000511021160 564354065 /nfs/dbraw/zinc/35/40/65/564354065.db2.gz YLHGQLIATKTJCI-HUUCEWRRSA-N 1 0 378.897 2.551 20 0 GFADRO CC1(C)COC[C@@H]1[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000451813761 564354105 /nfs/dbraw/zinc/35/41/05/564354105.db2.gz VYFOJWJHFKKROX-RISCZKNCSA-N 1 0 378.694 2.857 20 0 GFADRO C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1 ZINC000476854656 564355687 /nfs/dbraw/zinc/35/56/87/564355687.db2.gz KCIFTGOXHYCSQC-DZGCQCFKSA-N 1 0 386.323 2.657 20 0 GFADRO C[C@@H](O)C[N@@H+]1CCN(C(=O)CCOc2cccc(Cl)c2Cl)[C@@H](C)C1 ZINC000476847626 564355781 /nfs/dbraw/zinc/35/57/81/564355781.db2.gz KZGOICGCFYFKJU-QWHCGFSZSA-N 1 0 375.296 2.676 20 0 GFADRO C[C@@H]1CSc2ccc(Br)cc2[C@@H]1[NH2+]CCNC(=O)c1ccn[nH]1 ZINC000543740285 564361712 /nfs/dbraw/zinc/36/17/12/564361712.db2.gz RGUGOQFVPWODMD-MEBBXXQBSA-N 1 0 395.326 2.975 20 0 GFADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N[C@H](C)Cc1ccc(Cl)cc1Cl ZINC000477027202 564362056 /nfs/dbraw/zinc/36/20/56/564362056.db2.gz JWRPZLXUCMKKJW-OLZOCXBDSA-N 1 0 388.339 2.887 20 0 GFADRO C[S@@](=O)CCC[NH2+]C1CCC(NC(=O)COc2ccc(Cl)cc2)CC1 ZINC000511207932 564362195 /nfs/dbraw/zinc/36/21/95/564362195.db2.gz VLQJJOPWLWVXIZ-ZLWIMJCWSA-N 1 0 386.945 2.504 20 0 GFADRO C[C@H]1C[C@@H](N2CCOCC2)CN1S(=O)(=O)Cc1c(Cl)cccc1Cl ZINC000511226262 564363349 /nfs/dbraw/zinc/36/33/49/564363349.db2.gz YAZSXCFVZZCKDM-QWHCGFSZSA-N 1 0 393.336 2.618 20 0 GFADRO Cc1cc(S(=O)(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)ccc1Br ZINC000567352228 564367987 /nfs/dbraw/zinc/36/79/87/564367987.db2.gz VMYRXFWGNZWBHF-AWEZNQCLSA-N 1 0 387.343 2.768 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H](CNC(=O)c2ccc(I)c(F)c2)C1 ZINC000567377189 564368869 /nfs/dbraw/zinc/36/88/69/564368869.db2.gz ZVNYYTXBRMVAHJ-MWLCHTKSSA-N 1 0 376.213 2.678 20 0 GFADRO Cc1ccc(I)cc1C(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000477225959 564370079 /nfs/dbraw/zinc/37/00/79/564370079.db2.gz GSAYLRWKAMRCFB-CQSZACIVSA-N 1 0 384.261 2.908 20 0 GFADRO COc1ccc(C(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1I ZINC000477287986 564372485 /nfs/dbraw/zinc/37/24/85/564372485.db2.gz YJBMGVKNGPDJAP-CMPLNLGQSA-N 1 0 388.249 2.512 20 0 GFADRO O=S1(=O)CCCN1CC[NH2+][C@H](c1cccc(OC(F)(F)F)c1)C1CC1 ZINC000511579263 564376111 /nfs/dbraw/zinc/37/61/11/564376111.db2.gz UKXCBEAOMKNJDZ-HNNXBMFYSA-N 1 0 378.416 2.661 20 0 GFADRO O[C@@H](C[NH2+]CCc1cn2ccccc2n1)COc1ccc(Br)cc1 ZINC000567581582 564379052 /nfs/dbraw/zinc/37/90/52/564379052.db2.gz IFHGQNJKEPINGS-INIZCTEOSA-N 1 0 390.281 2.669 20 0 GFADRO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3C[N@@H+]2CC(=O)N(C)Cc1ccccc1Br ZINC000511663730 564379742 /nfs/dbraw/zinc/37/97/42/564379742.db2.gz MLBXMDLJENZGQX-ZZGLYJMHSA-N 1 0 393.325 2.763 20 0 GFADRO C[C@@H](NC(=O)N1CCc2ccccc2[C@H]1C[NH3+])c1ncc(Br)cn1 ZINC000567610764 564379897 /nfs/dbraw/zinc/37/98/97/564379897.db2.gz ZRHCKRNRDZDHOW-IAQYHMDHSA-N 1 0 390.285 2.568 20 0 GFADRO [NH3+]C1(C(=O)NCc2nc(-c3cccc(Br)c3)no2)CCCCC1 ZINC000567670840 564382294 /nfs/dbraw/zinc/38/22/94/564382294.db2.gz LFWJKVFVRBVSCC-UHFFFAOYSA-N 1 0 379.258 2.777 20 0 GFADRO CN(C)[C@@]1(C[NH2+]C[C@@H](O)COc2cc(Cl)ccc2Cl)CCSC1 ZINC000567683883 564383428 /nfs/dbraw/zinc/38/34/28/564383428.db2.gz ZRFXFDZQQZQNBL-CZUORRHYSA-N 1 0 379.353 2.760 20 0 GFADRO O=S(=O)(CC[NH2+][C@H]1CCO[C@H](C2CC2)C1)c1cccc(Br)c1 ZINC000567710119 564384238 /nfs/dbraw/zinc/38/42/38/564384238.db2.gz GCFKVLVVBOYTET-HOCLYGCPSA-N 1 0 388.327 2.770 20 0 GFADRO CC[NH+](CC)CC[C@H](CO)NC(=O)c1cc(Cl)cc(Br)c1 ZINC000567751114 564387668 /nfs/dbraw/zinc/38/76/68/564387668.db2.gz RNSVZRZIYASYJF-CQSZACIVSA-N 1 0 377.710 2.925 20 0 GFADRO O=S(=O)(c1nc2ccccc2s1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000567783051 564388427 /nfs/dbraw/zinc/38/84/27/564388427.db2.gz KQUADQUKOGPKAJ-XJKSGUPXSA-N 1 0 377.535 2.934 20 0 GFADRO COc1cc(C[N@@H+](C)C[C@@H](C)OC)cc(I)c1OC ZINC000567793205 564389119 /nfs/dbraw/zinc/38/91/19/564389119.db2.gz FQTPUJSHIRYAGW-SNVBAGLBSA-N 1 0 379.238 2.775 20 0 GFADRO O=C1NCCc2ccc(C[NH2+]Cc3cc4c(c(Br)c3)OCO4)cc21 ZINC000544595672 564389279 /nfs/dbraw/zinc/38/92/79/564389279.db2.gz GOANPGURWUTCNY-UHFFFAOYSA-N 1 0 389.249 2.754 20 0 GFADRO CC(C)(C[NH+]1CCCC1)NS(=O)(=O)Cc1cccc(Br)c1 ZINC000452096070 564391852 /nfs/dbraw/zinc/39/18/52/564391852.db2.gz ZRTZPXJEEYORIJ-UHFFFAOYSA-N 1 0 375.332 2.743 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)c2cccc(Br)c2Cl)CC12CCOCC2 ZINC000567847009 564392066 /nfs/dbraw/zinc/39/20/66/564392066.db2.gz ZLZNPGAHFSHXKB-NSHDSACASA-N 1 0 387.705 2.930 20 0 GFADRO Cc1cc([C@@H](C)[NH2+][C@H]2CCCN(S(C)(=O)=O)C2)sc1Br ZINC000512117492 564392987 /nfs/dbraw/zinc/39/29/87/564392987.db2.gz WLMVUSBUPJDLBB-MNOVXSKESA-N 1 0 381.361 2.894 20 0 GFADRO C[C@H]1CN(C(=O)NCCOc2ccc3cc(Br)ccc3c2)C[C@@H]1[NH3+] ZINC000567871268 564394009 /nfs/dbraw/zinc/39/40/09/564394009.db2.gz FTJODFFBOAFZMY-SJCJKPOMSA-N 1 0 392.297 2.970 20 0 GFADRO OCCC1(C[NH2+]C[C@H](O)COc2ccc(Cl)cc2Br)CCC1 ZINC000567873108 564394045 /nfs/dbraw/zinc/39/40/45/564394045.db2.gz NFZWQVTVUOGMSO-ZDUSSCGKSA-N 1 0 392.721 2.985 20 0 GFADRO Cc1cc(I)ccc1NC(=O)C[NH2+][C@H]1CSC[C@@H]1C ZINC000512210998 564394321 /nfs/dbraw/zinc/39/43/21/564394321.db2.gz HWXKWGDRUWLWND-GWCFXTLKSA-N 1 0 390.290 2.879 20 0 GFADRO C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1NC(=O)CNC(=O)c1sc2ccccc2c1Cl ZINC000567912481 564395660 /nfs/dbraw/zinc/39/56/60/564395660.db2.gz PQDRTEUMTBODNO-OHUAYANFSA-N 1 0 379.913 2.787 20 0 GFADRO C[C@@H]1CC[NH2+][C@@H](C)[C@H]1NC(=O)CNC(=O)c1sc2ccccc2c1Cl ZINC000567912479 564395912 /nfs/dbraw/zinc/39/59/12/564395912.db2.gz PQDRTEUMTBODNO-GDLVEWKHSA-N 1 0 379.913 2.787 20 0 GFADRO CN1CC[C@H]([NH2+]Cc2cc(Cl)cc(S(N)(=O)=O)c2)[C@H]1c1ccccc1 ZINC000567902533 564396073 /nfs/dbraw/zinc/39/60/73/564396073.db2.gz OPHYHBKGWXBSHY-ZWKOTPCHSA-N 1 0 379.913 2.522 20 0 GFADRO COc1nc(C)c(Br)cc1C(=O)N1CC[N@@H+](C2CC2)C[C@@H](C)C1 ZINC000452170764 564398177 /nfs/dbraw/zinc/39/81/77/564398177.db2.gz IVVYSPBJCGIRQL-LLVKDONJSA-N 1 0 382.302 2.717 20 0 GFADRO C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)N[C@@H](CO)C[NH+]1CCCCC1 ZINC000512389526 564399726 /nfs/dbraw/zinc/39/97/26/564399726.db2.gz NGUMFVIWRMHHKX-QWHCGFSZSA-N 1 0 375.296 2.724 20 0 GFADRO CCCN(CC[NH+](C)C)C(=O)[C@@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000478365945 564400050 /nfs/dbraw/zinc/40/00/50/564400050.db2.gz BXMBQICLDCPEBK-CQSZACIVSA-N 1 0 396.329 2.602 20 0 GFADRO CS(=O)(=O)N1CC[C@H]([NH2+][C@@H]2CCSc3ccc(Br)cc32)C1 ZINC000568043470 564402403 /nfs/dbraw/zinc/40/24/03/564402403.db2.gz KCBQOLWKHZRELR-WCQYABFASA-N 1 0 391.356 2.610 20 0 GFADRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)Nc1nnc(-c2ccc(Cl)cc2F)s1 ZINC000568071852 564402877 /nfs/dbraw/zinc/40/28/77/564402877.db2.gz UPRFYJCGPKRRIJ-LLVKDONJSA-N 1 0 383.880 3.556 20 0 GFADRO CC(C)[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)N1CC2CCC1(C[NH3+])CC2 ZINC000568150408 564406373 /nfs/dbraw/zinc/40/63/73/564406373.db2.gz GJYMNFCSUWYKFW-HBSPSFQMSA-N 1 0 383.945 2.886 20 0 GFADRO C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NC[C@@H]1CCC[N@@H+]1CCCO ZINC000452344577 564407083 /nfs/dbraw/zinc/40/70/83/564407083.db2.gz CRSCGZRLKOUQTL-JSGCOSHPSA-N 1 0 375.296 2.724 20 0 GFADRO O=C(NC[C@H]1CCC[N@H+]1CCCO)c1cc(Br)cc2cccnc21 ZINC000452359909 564408891 /nfs/dbraw/zinc/40/88/91/564408891.db2.gz HXGRAMRJJZBKRM-OAHLLOKOSA-N 1 0 392.297 2.574 20 0 GFADRO O=C(CSc1cccc(Br)c1)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000452386571 564411397 /nfs/dbraw/zinc/41/13/97/564411397.db2.gz XREVPBCZZAFGIY-AWEZNQCLSA-N 1 0 387.343 2.504 20 0 GFADRO CC(C)(C(=O)N[C@@H]1CCC[N@H+](CCCO)C1)c1cccc(Br)c1 ZINC000452386524 564411862 /nfs/dbraw/zinc/41/18/62/564411862.db2.gz XGZCVYRHNHXTRS-MRXNPFEDSA-N 1 0 383.330 2.690 20 0 GFADRO C[C@H](Oc1cccc(Cl)c1Cl)C(=O)NC[C@H]1CCCC[N@@H+]1CCO ZINC000452389830 564412856 /nfs/dbraw/zinc/41/28/56/564412856.db2.gz MWXKOMWAKKFCPP-QWHCGFSZSA-N 1 0 375.296 2.724 20 0 GFADRO CCCn1cc(C[NH2+]CCNS(=O)(=O)c2cccc(Cl)c2Cl)cn1 ZINC000512855646 564413896 /nfs/dbraw/zinc/41/38/96/564413896.db2.gz IQZVVYGWMBKYRU-UHFFFAOYSA-N 1 0 391.324 2.668 20 0 GFADRO Cc1ccc(C[NH2+]C[C@@H]2CCCC[C@@H]2NS(C)(=O)=O)c(Br)c1 ZINC000512850832 564414034 /nfs/dbraw/zinc/41/40/34/564414034.db2.gz LFLJCJKUFTWMTG-HOCLYGCPSA-N 1 0 389.359 2.955 20 0 GFADRO CC(C)[N@H+](C)C[C@H](C)NC(=O)C(=O)Nc1cc(Cl)ccc1Br ZINC000568334685 564414603 /nfs/dbraw/zinc/41/46/03/564414603.db2.gz FCWNXUYDSTWIOZ-JTQLQIEISA-N 1 0 390.709 2.886 20 0 GFADRO Cc1ccc(C[NH2+]C[C@@H]2CCCC[C@H]2NS(C)(=O)=O)cc1Br ZINC000512860589 564414753 /nfs/dbraw/zinc/41/47/53/564414753.db2.gz JOVTYNUUVDDFEN-GOEBONIOSA-N 1 0 389.359 2.955 20 0 GFADRO Cc1nc(S(=O)(=O)NC[C@H](C2CC2)[N@H+](C)Cc2ccccc2)sc1C ZINC000478782156 564415401 /nfs/dbraw/zinc/41/54/01/564415401.db2.gz HAHSCWGDNFZRMJ-QGZVFWFLSA-N 1 0 379.551 2.949 20 0 GFADRO C[C@H]([NH2+]C[C@H]1CCCCN1S(C)(=O)=O)c1ccc(Br)s1 ZINC000512989378 564416889 /nfs/dbraw/zinc/41/68/89/564416889.db2.gz SWHYZTWBELDOJN-WDEREUQCSA-N 1 0 381.361 2.975 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000478970396 564420749 /nfs/dbraw/zinc/42/07/49/564420749.db2.gz XMJLXTRAIVZECZ-STQMWFEESA-N 1 0 382.302 2.590 20 0 GFADRO C/C(=C\c1ccc(Cl)cc1)C[NH2+]C[C@H]1CCCCN1S(=O)(=O)N(C)C ZINC000568555335 564423832 /nfs/dbraw/zinc/42/38/32/564423832.db2.gz BFLQNOJSSOOXGN-NKAIQICCSA-N 1 0 385.961 2.994 20 0 GFADRO CNC(=O)CC[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(Br)cc1 ZINC000513185392 564424020 /nfs/dbraw/zinc/42/40/20/564424020.db2.gz ZJMYTSFJNGQLNY-OAHLLOKOSA-N 1 0 382.302 2.768 20 0 GFADRO CNC(=O)CC[C@H]1CCCC[N@@H+]1C[C@@H](O)COc1ccc(Br)cc1 ZINC000513211335 564424657 /nfs/dbraw/zinc/42/46/57/564424657.db2.gz WLYRUTVNDFGQNT-HZPDHXFCSA-N 1 0 399.329 2.570 20 0 GFADRO C[C@H](C[NH2+]Cc1cn(-c2ccccc2Br)nn1)Cn1cccn1 ZINC000568568957 564424847 /nfs/dbraw/zinc/42/48/47/564424847.db2.gz VNCKAENTGPXWEL-CYBMUJFWSA-N 1 0 375.274 2.652 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)C(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000479096954 564424808 /nfs/dbraw/zinc/42/48/08/564424808.db2.gz GHPZWMMAJOHGSA-ZDUSSCGKSA-N 1 0 396.329 2.798 20 0 GFADRO CO[C@H](C)C[N@H+](C)[C@H](C)C(=O)Nc1cccc(I)c1 ZINC000513247043 564425853 /nfs/dbraw/zinc/42/58/53/564425853.db2.gz IQOHPJJZWHTMFL-GHMZBOCLSA-N 1 0 376.238 2.585 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)C(=O)N1CCC([NH+](C)C)CC1 ZINC000479110108 564425964 /nfs/dbraw/zinc/42/59/64/564425964.db2.gz ZYYOMXYIQWREEZ-UHFFFAOYSA-N 1 0 382.302 2.503 20 0 GFADRO CC(C)CC[C@H](O)C[NH2+]CCc1ccc(S(=O)(=O)N2CCCCC2)s1 ZINC000568619460 564427215 /nfs/dbraw/zinc/42/72/15/564427215.db2.gz CFHVVAWIWJREKR-INIZCTEOSA-N 1 0 388.599 2.852 20 0 GFADRO CS(=O)(=O)[C@H]1CCC[C@@H]([NH2+]C2CC(N3CCC(C(F)(F)F)CC3)C2)C1 ZINC000513347228 564427739 /nfs/dbraw/zinc/42/77/39/564427739.db2.gz GPLCBJNGFPGLHR-LMPOIIKSSA-N 1 0 382.492 2.737 20 0 GFADRO CC[NH+](CC)CCCNC(=O)[C@@H]1CSCN1C(=O)c1ccc(Cl)cc1 ZINC000513393583 564428766 /nfs/dbraw/zinc/42/87/66/564428766.db2.gz CSVWITOVJTYDQQ-INIZCTEOSA-N 1 0 383.945 2.703 20 0 GFADRO CC[NH+](CC)Cc1ccc(C(=O)NCc2nn(C)cc2Br)cc1 ZINC000452756998 564429867 /nfs/dbraw/zinc/42/98/67/564429867.db2.gz QTDHPCYZBLAZRO-UHFFFAOYSA-N 1 0 379.302 2.954 20 0 GFADRO O=C1[C@H]([NH2+]C2CCN(CCC(F)(F)F)CC2)CCCN1CC(F)(F)F ZINC000513464219 564430244 /nfs/dbraw/zinc/43/02/44/564430244.db2.gz VWNBRQNYEDQEDB-GFCCVEGCSA-N 1 0 375.357 2.546 20 0 GFADRO C[N@H+](CC1=Cc2cc(Br)ccc2OC1)C1CCN(CCO)CC1 ZINC000513542631 564432361 /nfs/dbraw/zinc/43/23/61/564432361.db2.gz HCCHMNDEJGLUKM-UHFFFAOYSA-N 1 0 381.314 2.613 20 0 GFADRO Ic1cccc2ncnc(N3CC[NH+](C4CCC4)CC3)c12 ZINC000545866611 564434591 /nfs/dbraw/zinc/43/45/91/564434591.db2.gz FCDMJUCBKMGDCZ-UHFFFAOYSA-N 1 0 394.260 2.909 20 0 GFADRO COc1ccc(S(=O)(=O)N[C@H](C)C[NH+]2CCCCC2)c(Br)c1 ZINC000479318127 564435368 /nfs/dbraw/zinc/43/53/68/564435368.db2.gz LAFLERULNHTKOR-GFCCVEGCSA-N 1 0 391.331 2.610 20 0 GFADRO O=C(CC[N@H+]1CC=C(c2cccc(Br)c2)CC1)N1CCOCC1 ZINC000545878997 564435796 /nfs/dbraw/zinc/43/57/96/564435796.db2.gz DDUQIEFBTDUIHU-UHFFFAOYSA-N 1 0 379.298 2.787 20 0 GFADRO COCC[N@H+](C[C@H](O)COc1ccc(Cl)cc1Br)C1CC1 ZINC000513713197 564436798 /nfs/dbraw/zinc/43/67/98/564436798.db2.gz LYMKRFYUMJNKPF-ZDUSSCGKSA-N 1 0 378.694 2.953 20 0 GFADRO C[C@@H]([NH2+]CCC(=O)NC(C)(C)C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000479398161 564439098 /nfs/dbraw/zinc/43/90/98/564439098.db2.gz YCHKKSVDCRCBRP-SECBINFHSA-N 1 0 396.340 2.596 20 0 GFADRO Cc1c(Br)cccc1CNC(=O)N1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000568901430 564439777 /nfs/dbraw/zinc/43/97/77/564439777.db2.gz WMLZPWYGAWMNAE-OAHLLOKOSA-N 1 0 396.329 2.654 20 0 GFADRO CCOCCCN1CC[C@H]([NH2+]Cc2ccc(S(=O)(=O)CC)s2)[C@H](C)C1 ZINC000479446073 564440870 /nfs/dbraw/zinc/44/08/70/564440870.db2.gz NKDUXRKQKOGYCX-WBVHZDCISA-N 1 0 388.599 2.768 20 0 GFADRO CCO[C@H]1COCC[C@H]1[NH2+]Cc1cc(Br)c2c(c1)OCCCO2 ZINC000546054290 564441853 /nfs/dbraw/zinc/44/18/53/564441853.db2.gz GTPNWXRFBWFEJE-ZBFHGGJFSA-N 1 0 386.286 2.894 20 0 GFADRO CN(C)c1cc[nH+]cc1C(=O)N(C)CC(=O)Nc1ccccc1Br ZINC000546068306 564442693 /nfs/dbraw/zinc/44/26/93/564442693.db2.gz ROPYOOMVIZUEET-UHFFFAOYSA-N 1 0 391.269 2.621 20 0 GFADRO C[NH2+]C[C@@H]1CCN(C(=O)c2cn(-c3ccc(Br)cc3)nc2C)C1 ZINC000568982520 564443291 /nfs/dbraw/zinc/44/32/91/564443291.db2.gz FCZIQGHFTBYSND-ZDUSSCGKSA-N 1 0 377.286 2.625 20 0 GFADRO CC[N@H+](C)Cc1cccc(CNS(=O)(=O)c2ccc(Br)o2)c1 ZINC000546092242 564444095 /nfs/dbraw/zinc/44/40/95/564444095.db2.gz OHFOASWDVROUIK-UHFFFAOYSA-N 1 0 387.299 2.972 20 0 GFADRO [NH3+]CC[C@H]1CCCCN1S(=O)(=O)c1cc(F)c(Br)cc1F ZINC000569004171 564444311 /nfs/dbraw/zinc/44/43/11/564444311.db2.gz XZTHKEDOUUXADA-SECBINFHSA-N 1 0 383.258 2.619 20 0 GFADRO COCCN(CC[NH+](C)C)C(=O)c1ccc(Br)cc1OC(C)C ZINC000569015189 564445281 /nfs/dbraw/zinc/44/52/81/564445281.db2.gz GURMXVQKXQTRNS-UHFFFAOYSA-N 1 0 387.318 2.887 20 0 GFADRO CO[C@@H]1C[C@@H]([NH2+]CCS(=O)(=O)c2ccc(Br)cc2)C12CCC2 ZINC000453113249 564446766 /nfs/dbraw/zinc/44/67/66/564446766.db2.gz RASXHIWLYBHBDH-HUUCEWRRSA-N 1 0 388.327 2.770 20 0 GFADRO Cn1cc(Br)c(CNC(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)n1 ZINC000569079391 564448328 /nfs/dbraw/zinc/44/83/28/564448328.db2.gz UAMUNKATGQHZTG-CQSZACIVSA-N 1 0 398.349 2.779 20 0 GFADRO CC[NH+](CC)[C@@H](CNC(=O)C(=O)NCc1cscc1C)c1ccsc1 ZINC000569096399 564448480 /nfs/dbraw/zinc/44/84/80/564448480.db2.gz YNWQUVQQZOOYKI-INIZCTEOSA-N 1 0 379.551 2.934 20 0 GFADRO C[C@H]([NH2+]CC1([S@](C)=O)CC1)c1ccc(F)c(I)c1 ZINC000453215583 564449803 /nfs/dbraw/zinc/44/98/03/564449803.db2.gz NYXWGXHKAGMCML-YYSFKGJASA-N 1 0 381.254 2.992 20 0 GFADRO C[C@@H]([NH2+]C[C@H]1CC[C@@H](CO)O1)c1ccc(F)c(I)c1 ZINC000453232180 564450080 /nfs/dbraw/zinc/45/00/80/564450080.db2.gz HDZNVBVODNYDSI-JLLWLGSASA-N 1 0 379.213 2.621 20 0 GFADRO Brc1ccccc1C[C@H]([NH2+]Cc1nnnn1CC1CC1)C1CC1 ZINC000453190908 564450210 /nfs/dbraw/zinc/45/02/10/564450210.db2.gz DLKOOMJJYBDCNF-INIZCTEOSA-N 1 0 376.302 2.957 20 0 GFADRO C[C@@]1(CNC(=O)N[C@@H](c2cncc(Br)c2)C2CC2)CCC[NH2+]C1 ZINC000514590746 564451042 /nfs/dbraw/zinc/45/10/42/564451042.db2.gz DEDFAMDNIFLSHZ-NVXWUHKLSA-N 1 0 381.318 2.984 20 0 GFADRO CC[C@@H](CNS(C)(=O)=O)[NH2+][C@@H]1CCCc2ccc(Br)cc21 ZINC000453281300 564452264 /nfs/dbraw/zinc/45/22/64/564452264.db2.gz KSYDOSOEKUUJJJ-DZGCQCFKSA-N 1 0 375.332 2.744 20 0 GFADRO NC(=O)[C@H]([NH2+]CC[C@H]1COc2ccccc2O1)c1ccc(Br)cc1 ZINC000479885526 564452436 /nfs/dbraw/zinc/45/24/36/564452436.db2.gz ORFPMUQZEXWOOB-WMLDXEAASA-N 1 0 391.265 2.795 20 0 GFADRO CC[C@H](CNS(C)(=O)=O)[NH2+][C@H](c1ccc(Br)s1)C1CC1 ZINC000453291481 564452840 /nfs/dbraw/zinc/45/28/40/564452840.db2.gz UOUWJPRWFDTGAH-MFKMUULPSA-N 1 0 381.361 2.879 20 0 GFADRO CC[C@H](CNS(C)(=O)=O)[NH2+][C@@H](c1ccc(Br)s1)C1CC1 ZINC000453291483 564452991 /nfs/dbraw/zinc/45/29/91/564452991.db2.gz UOUWJPRWFDTGAH-ZWNOBZJWSA-N 1 0 381.361 2.879 20 0 GFADRO Cc1c(Br)cccc1C[C@@H](CO)C[NH2+][C@H](C)Cc1cnccn1 ZINC000453371013 564455224 /nfs/dbraw/zinc/45/52/24/564455224.db2.gz NPERPKHRKHOBKV-UKRRQHHQSA-N 1 0 378.314 2.919 20 0 GFADRO COc1ccc(C[C@@H](CO)C[NH2+][C@H](C)c2ccncn2)cc1Br ZINC000453392102 564455978 /nfs/dbraw/zinc/45/59/78/564455978.db2.gz ZCGLBCJDVKYWFG-TZMCWYRMSA-N 1 0 380.286 2.750 20 0 GFADRO CC[NH+](CC)CCS(=O)(=O)N(C[C@@H](C)O)[C@@H](C)Cc1ccc(Cl)cc1 ZINC000569276537 564456204 /nfs/dbraw/zinc/45/62/04/564456204.db2.gz FEZVXXXJWITTBM-JKSUJKDBSA-N 1 0 390.977 2.625 20 0 GFADRO Cc1ccc(C[C@@H](CO)C[NH2+][C@@H](C)Cc2cnccn2)cc1Br ZINC000453379659 564456420 /nfs/dbraw/zinc/45/64/20/564456420.db2.gz QPVAFMWTBCCGBL-GOEBONIOSA-N 1 0 378.314 2.919 20 0 GFADRO CC[NH+](CC)CCOCCNC(=O)NCc1cc(Br)ccc1F ZINC000569292657 564457460 /nfs/dbraw/zinc/45/74/60/564457460.db2.gz VXFAKVRXIXOBPT-UHFFFAOYSA-N 1 0 390.297 2.746 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)NCc2cc3c(c(Br)c2)OCO3)c2nccn21 ZINC000569311545 564458533 /nfs/dbraw/zinc/45/85/33/564458533.db2.gz OFQCLYPGEIMWQB-SKDRFNHKSA-N 1 0 393.241 2.880 20 0 GFADRO CCCNC(=O)CN1CCC([NH2+]Cc2sc(C)cc2Br)CC1 ZINC000453567460 564458598 /nfs/dbraw/zinc/45/85/98/564458598.db2.gz HMPFEPXNPPMVFL-UHFFFAOYSA-N 1 0 388.375 2.899 20 0 GFADRO CCOCCOc1ccc(Br)cc1C[NH2+]C[C@@]1(C)CCC(=O)N1 ZINC000453588693 564459294 /nfs/dbraw/zinc/45/92/94/564459294.db2.gz LORQISKKAFTWEU-QGZVFWFLSA-N 1 0 385.302 2.623 20 0 GFADRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1c1ncnc2cccc(I)c21 ZINC000546582402 564460271 /nfs/dbraw/zinc/46/02/71/564460271.db2.gz ZAEBIOAEPUXXRL-WDEREUQCSA-N 1 0 382.249 2.763 20 0 GFADRO CCCC[N@H+](C)CCNC(=O)C(=O)Nc1cc(Cl)cc(Br)c1 ZINC000453651741 564462087 /nfs/dbraw/zinc/46/20/87/564462087.db2.gz YLEPXKANUMUTCE-UHFFFAOYSA-N 1 0 390.709 2.889 20 0 GFADRO CCCC[N@H+](C)CCNC(=O)C(=O)Nc1c(C)ccc(F)c1Br ZINC000453644273 564462172 /nfs/dbraw/zinc/46/21/72/564462172.db2.gz MGHADDUELYREQQ-UHFFFAOYSA-N 1 0 388.281 2.683 20 0 GFADRO CC[N@H+](CCNC(=O)C(=O)Nc1c(C)ccc(F)c1Br)C(C)C ZINC000453643914 564462276 /nfs/dbraw/zinc/46/22/76/564462276.db2.gz LRTPHKJTZIMQNH-UHFFFAOYSA-N 1 0 388.281 2.682 20 0 GFADRO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCS(=O)(=O)c3ccc(Br)cc32)CCN1C ZINC000480178365 564462415 /nfs/dbraw/zinc/46/24/15/564462415.db2.gz IBRXOCAGOKLWCI-OSAQELSMSA-N 1 0 387.343 2.740 20 0 GFADRO Cn1cc([C@@H]2CN(C(=O)c3csc(-c4ccc(Cl)s4)n3)C[C@H]2[NH3+])cn1 ZINC000514938741 564462575 /nfs/dbraw/zinc/46/25/75/564462575.db2.gz YZNHYNPNDCSOPN-WDEREUQCSA-N 1 0 393.925 2.825 20 0 GFADRO COC(=O)[C@@H](NC(=O)C[NH2+]C1(c2ccc(Br)cc2)CCC1)C(C)C ZINC000569493558 564465544 /nfs/dbraw/zinc/46/55/44/564465544.db2.gz VBFCBLYZXILICG-INIZCTEOSA-N 1 0 397.313 2.732 20 0 GFADRO CC(C)[C@@](C)(O)C[NH2+][C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000480240117 564466029 /nfs/dbraw/zinc/46/60/29/564466029.db2.gz JLFCCYZMCUAWTD-ZFWWWQNUSA-N 1 0 376.316 2.664 20 0 GFADRO O[C@H](C[NH2+]C[C@H](O)C1CCCCC1)COc1cc(F)cc(Br)c1 ZINC000515061402 564467794 /nfs/dbraw/zinc/46/77/94/564467794.db2.gz VPDPIWTZINEMFC-WBVHZDCISA-N 1 0 390.293 2.859 20 0 GFADRO CC(C)(C)[N@@H+]1C[C@@H](C(=O)N2CCS[C@@H]3COCC[C@H]32)[C@H](C(F)(F)F)C1 ZINC000480373685 564470065 /nfs/dbraw/zinc/47/00/65/564470065.db2.gz FEGUDYLGUAPCFX-AAVRWANBSA-N 1 0 380.476 2.628 20 0 GFADRO C[NH+](C)[C@]1(CNC(=O)c2cnn(Cc3ccccc3Cl)c2)CCSC1 ZINC000480397385 564471139 /nfs/dbraw/zinc/47/11/39/564471139.db2.gz UASNJOGQPFQGHS-SFHVURJKSA-N 1 0 378.929 2.752 20 0 GFADRO O=S(=O)(N[C@@H]1C[C@H]1C1CC[NH2+]CC1)c1cc(Cl)ccc1OC(F)F ZINC000515176161 564471125 /nfs/dbraw/zinc/47/11/25/564471125.db2.gz AKJSOMPQINAGDK-NWDGAFQWSA-N 1 0 380.844 2.608 20 0 GFADRO C[C@]1(C[NH2+]C[C@H](O)COc2cc(F)cc(Br)c2)CCCC[C@@H]1O ZINC000569605539 564471239 /nfs/dbraw/zinc/47/12/39/564471239.db2.gz MMPIBPWEBUFRFY-BHYGNILZSA-N 1 0 390.293 2.859 20 0 GFADRO COc1ccc(C(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)c(Br)c1 ZINC000515265872 564474453 /nfs/dbraw/zinc/47/44/53/564474453.db2.gz QWDIFULKOYVZEI-CYBMUJFWSA-N 1 0 385.302 2.688 20 0 GFADRO CNS(=O)(=O)[C@@H]1CCCN(Cc2c(Cl)cc(Cl)cc2N(C)C)C1 ZINC000569774395 564477860 /nfs/dbraw/zinc/47/78/60/564477860.db2.gz HIZSPDADSAHIBE-GFCCVEGCSA-N 1 0 380.341 2.573 20 0 GFADRO CCOc1ccc(S(=O)(=O)N[C@H](C)C[N@H+](C)C(C)C)cc1Br ZINC000569891561 564481912 /nfs/dbraw/zinc/48/19/12/564481912.db2.gz NTBVJEGOBWVPMZ-GFCCVEGCSA-N 1 0 393.347 2.855 20 0 GFADRO C[N@@H+]1CC[C@](O)(CNC(=O)N[C@@H](c2ccsc2)c2ccc(Cl)cc2)C1 ZINC000547298310 564483329 /nfs/dbraw/zinc/48/33/29/564483329.db2.gz MJGDLJOOURCKBD-AEFFLSMTSA-N 1 0 379.913 2.857 20 0 GFADRO Brc1cc2c(c(C[NH2+]C3CCN(c4cnccn4)CC3)c1)OCC2 ZINC000547321541 564484583 /nfs/dbraw/zinc/48/45/83/564484583.db2.gz PBVLTTJGKFOGRB-UHFFFAOYSA-N 1 0 389.297 2.933 20 0 GFADRO O=C(NC[C@@H]1C[NH2+]CCO1)N1CCCC[C@@H]1Cc1cccc(Br)c1 ZINC000569957106 564485752 /nfs/dbraw/zinc/48/57/52/564485752.db2.gz HKTPDLICILGJSZ-SJORKVTESA-N 1 0 396.329 2.544 20 0 GFADRO COC(=O)C[C@@](C)([NH2+]CCCN1CCCC1=O)c1ccc(Br)cc1 ZINC000569994761 564486849 /nfs/dbraw/zinc/48/68/49/564486849.db2.gz MBTHAGMUXVUMES-GOSISDBHSA-N 1 0 397.313 2.830 20 0 GFADRO O=C(Nc1ccccc1Br)C(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000454000357 564489853 /nfs/dbraw/zinc/48/98/53/564489853.db2.gz AJMLCJANMXAJPX-UHFFFAOYSA-N 1 0 380.286 2.521 20 0 GFADRO Cc1cc(Br)c(S(=O)(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)s1 ZINC000480851927 564491554 /nfs/dbraw/zinc/49/15/54/564491554.db2.gz GWNROMUGBFVHBO-WCQYABFASA-N 1 0 393.372 2.924 20 0 GFADRO CC(C)(C)[N@@H+]1C[C@@H](C(=O)N2CCO[C@@]3(CCSC3)C2)[C@H](C(F)(F)F)C1 ZINC000570164929 564494315 /nfs/dbraw/zinc/49/43/15/564494315.db2.gz YYPNEAGOQHNIAF-IOASZLSFSA-N 1 0 380.476 2.630 20 0 GFADRO Cc1cc(NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C(C)C)C2)cc(C)c1Br ZINC000454082171 564495993 /nfs/dbraw/zinc/49/59/93/564495993.db2.gz CNCYIDLOOVJXAZ-HNNXBMFYSA-N 1 0 396.329 2.946 20 0 GFADRO O=C(Nc1nc(SCc2ccccc2)ns1)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000570262274 564497768 /nfs/dbraw/zinc/49/77/68/564497768.db2.gz DNVMNKFDZNPULM-ZIAGYGMSSA-N 1 0 375.523 2.904 20 0 GFADRO O=C(NCC1CC[NH2+]CC1)Nc1cnn(-c2ccccc2Br)c1 ZINC000570262718 564498003 /nfs/dbraw/zinc/49/80/03/564498003.db2.gz JFVLEJRKOYCWBB-UHFFFAOYSA-N 1 0 378.274 2.756 20 0 GFADRO CC(C)[NH2+]CCCNC(=O)NCc1cnn(-c2ccc(Br)cc2)c1 ZINC000570265339 564499277 /nfs/dbraw/zinc/49/92/77/564499277.db2.gz XGJFXSHJOIHDPT-UHFFFAOYSA-N 1 0 394.317 2.822 20 0 GFADRO C[NH+](C)CCN(Cc1cccs1)S(=O)(=O)c1ccc(C(F)(F)F)cn1 ZINC000481002054 564500003 /nfs/dbraw/zinc/50/00/03/564500003.db2.gz HSCQIBPXUJNMBY-UHFFFAOYSA-N 1 0 393.456 2.914 20 0 GFADRO CC[N@H+](CCNS(=O)(=O)c1cc(Br)c(F)cc1C)C1CC1 ZINC000481015459 564500366 /nfs/dbraw/zinc/50/03/66/564500366.db2.gz ICFJXWFYCCRBOH-UHFFFAOYSA-N 1 0 379.295 2.659 20 0 GFADRO C[NH+](C)[C@]1(CNC(=O)CCOc2cccc(Br)c2)CCSC1 ZINC000481205114 564504851 /nfs/dbraw/zinc/50/48/51/564504851.db2.gz QMVGQJBHPVBJCM-INIZCTEOSA-N 1 0 387.343 2.772 20 0 GFADRO COc1ccc(C[NH2+][C@@H](C)Cn2cc(Br)ccc2=O)c(OC)c1 ZINC000516556744 564504954 /nfs/dbraw/zinc/50/49/54/564504954.db2.gz QXBBTBKVTTXLEO-LBPRGKRZSA-N 1 0 381.270 2.806 20 0 GFADRO CC(=O)N[C@@H](C)C1CC[NH+](C[C@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000481157695 564505161 /nfs/dbraw/zinc/50/51/61/564505161.db2.gz WEKOICJLVUZXDH-LRDDRELGSA-N 1 0 389.323 2.970 20 0 GFADRO O=C(C(=O)N1CCC[NH2+]CC1)N1CCC(c2c(Cl)cccc2Cl)CC1 ZINC000516643559 564508199 /nfs/dbraw/zinc/50/81/99/564508199.db2.gz NOXRHUDWHANEKH-UHFFFAOYSA-N 1 0 384.307 2.521 20 0 GFADRO Cc1ccc(C(F)(F)F)cc1S(=O)(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000481344813 564509789 /nfs/dbraw/zinc/50/97/89/564509789.db2.gz UOXNZWFPLGJBLP-AWEZNQCLSA-N 1 0 382.473 2.729 20 0 GFADRO CC[C@H](C)[N@H+](C)CCNC(=O)NCCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000454465409 564511163 /nfs/dbraw/zinc/51/11/63/564511163.db2.gz KUWHZRMXYQDMSP-AWEZNQCLSA-N 1 0 389.949 2.533 20 0 GFADRO COCC[N@H+](C)C[C@H](O)CN1CCC[C@@H]1c1ccc(Br)s1 ZINC000570525227 564511120 /nfs/dbraw/zinc/51/11/20/564511120.db2.gz FYMTYLHEHARDGP-QWHCGFSZSA-N 1 0 377.348 2.587 20 0 GFADRO Cc1ccc(-c2csc(NC(=O)C(=O)N[C@@H](C)C[N@H+](C)C(C)C)n2)s1 ZINC000570558152 564512057 /nfs/dbraw/zinc/51/20/57/564512057.db2.gz IUXPPTILCMDKGQ-NSHDSACASA-N 1 0 380.539 2.963 20 0 GFADRO CN(C)c1cc(Cl)cc(Cl)c1C[NH2+]C[C@H]1CCCCN1S(C)(=O)=O ZINC000570554881 564512077 /nfs/dbraw/zinc/51/20/77/564512077.db2.gz FMSJRSDRPCHNBH-CYBMUJFWSA-N 1 0 394.368 2.963 20 0 GFADRO C[NH+](C)CC(C)(C)NC(=O)Nc1cc(Br)ccc1N1CCOCC1 ZINC000454512464 564512476 /nfs/dbraw/zinc/51/24/76/564512476.db2.gz GXNWJUQDVICRJA-UHFFFAOYSA-N 1 0 399.333 2.747 20 0 GFADRO COC(=O)c1cn(CC[NH2+][C@@H](C)[C@@H](C)Oc2ccc(Cl)cc2Cl)nn1 ZINC000516794242 564512814 /nfs/dbraw/zinc/51/28/14/564512814.db2.gz YTZARKLEIVMGPU-WDEREUQCSA-N 1 0 387.267 2.817 20 0 GFADRO CCC[C@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl ZINC000547833099 564512741 /nfs/dbraw/zinc/51/27/41/564512741.db2.gz WLVKKGNTGYWOTH-SWLSCSKDSA-N 1 0 387.933 2.874 20 0 GFADRO CN(C)CC[N@H+](C)CCCNC(=O)c1ccc(Br)c(Cl)c1F ZINC000516823175 564512913 /nfs/dbraw/zinc/51/29/13/564512913.db2.gz SPVYFTUKVFSWBH-UHFFFAOYSA-N 1 0 394.716 2.855 20 0 GFADRO CC[NH+](CC)CCCNC(=O)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000516832597 564513395 /nfs/dbraw/zinc/51/33/95/564513395.db2.gz KQHNVXLKMSJMNJ-CQSZACIVSA-N 1 0 396.329 2.650 20 0 GFADRO C[C@H](Oc1ccc(F)cc1Br)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000570625317 564514703 /nfs/dbraw/zinc/51/47/03/564514703.db2.gz NKLDOQJYAUETOZ-UHXUCMFUSA-N 1 0 385.277 2.941 20 0 GFADRO Cc1ccc(-c2nc3c(s2)[C@H]([NH2+]CCS(=O)(=O)N(C)C)CCC3)cc1 ZINC000516939777 564517716 /nfs/dbraw/zinc/51/77/16/564517716.db2.gz FXJYWUCVKXJONX-OAHLLOKOSA-N 1 0 379.551 2.977 20 0 GFADRO CC(C)(CNC(=O)CCS(=O)(=O)c1ccc(Cl)cc1)C[NH+]1CCCC1 ZINC000481609205 564518038 /nfs/dbraw/zinc/51/80/38/564518038.db2.gz XTIDVZCUGHHODQ-UHFFFAOYSA-N 1 0 386.945 2.742 20 0 GFADRO [NH3+][C@H]1C[C@H]2CN(C(=O)c3sc4cc(Cl)ccc4c3Cl)CCN2C1=O ZINC000516981916 564519379 /nfs/dbraw/zinc/51/93/79/564519379.db2.gz PPONDTBJVJNTAH-ONGXEEELSA-N 1 0 384.288 2.592 20 0 GFADRO CC(C)[C@@H](C(=O)N(C)Cc1cn(-c2cccc(Br)c2)nn1)[NH+](C)C ZINC000481740802 564521684 /nfs/dbraw/zinc/52/16/84/564521684.db2.gz IIZUQOCGTXWOFV-INIZCTEOSA-N 1 0 394.317 2.574 20 0 GFADRO C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)NCc1nn(C)cc1Br ZINC000454774029 564521692 /nfs/dbraw/zinc/52/16/92/564521692.db2.gz WUOUZAZXGGXDCZ-ZDUSSCGKSA-N 1 0 394.317 2.502 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[N@H+](C)CC(C)(C)OC ZINC000570786838 564521773 /nfs/dbraw/zinc/52/17/73/564521773.db2.gz DHGVTBKKDOCOHH-LBPRGKRZSA-N 1 0 387.318 2.819 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N[C@@H](C)C[N@@H+](C)C(C)C)c(Br)c1 ZINC000517060607 564523624 /nfs/dbraw/zinc/52/36/24/564523624.db2.gz PTNISDRSUGVLOF-ZDUSSCGKSA-N 1 0 384.318 2.849 20 0 GFADRO OC[C@@H](C[NH2+]Cc1cccc(Br)c1OC(F)F)[C@@H]1CCOC1 ZINC000481816838 564525037 /nfs/dbraw/zinc/52/50/37/564525037.db2.gz RAFVHNTTYGODBJ-VXGBXAGGSA-N 1 0 380.229 2.785 20 0 GFADRO OC[C@@H](C[NH2+]Cc1cccc(Br)c1OC(F)F)[C@H]1CCOC1 ZINC000481816835 564525261 /nfs/dbraw/zinc/52/52/61/564525261.db2.gz RAFVHNTTYGODBJ-NWDGAFQWSA-N 1 0 380.229 2.785 20 0 GFADRO CC[NH+](CC)CC[C@H](CO)NC(=O)C1(c2ccccc2Br)CC1 ZINC000570860503 564525432 /nfs/dbraw/zinc/52/54/32/564525432.db2.gz HZZIRADUTCKGKW-CQSZACIVSA-N 1 0 383.330 2.690 20 0 GFADRO CC[NH+](CC)CC1CCN(C(=O)C(=O)Nc2ccccc2Br)CC1 ZINC000517119649 564525339 /nfs/dbraw/zinc/52/53/39/564525339.db2.gz SLRQGGJZHBTYCM-UHFFFAOYSA-N 1 0 396.329 2.968 20 0 GFADRO C[C@H]([NH2+]CCC1CCS(=O)(=O)CC1)c1ncc(Br)cc1F ZINC000547977938 564526181 /nfs/dbraw/zinc/52/61/81/564526181.db2.gz WONODTQNFHANHI-JTQLQIEISA-N 1 0 379.295 2.849 20 0 GFADRO CN(CCC[NH+]1CCCC1)S(=O)(=O)Cc1ccc(Br)cc1 ZINC000517203696 564526910 /nfs/dbraw/zinc/52/69/10/564526910.db2.gz AIJHINYRRDUGBW-UHFFFAOYSA-N 1 0 375.332 2.697 20 0 GFADRO COc1ccc(C[NH2+]Cc2cccc(I)c2)c(OC)n1 ZINC000517265216 564529769 /nfs/dbraw/zinc/52/97/69/564529769.db2.gz SENCXPYYFSLZNG-UHFFFAOYSA-N 1 0 384.217 2.993 20 0 GFADRO O=C(Nc1ncn(Cc2cccc(Br)c2)n1)[C@@H]1CCCCC[NH2+]1 ZINC000570964566 564529827 /nfs/dbraw/zinc/52/98/27/564529827.db2.gz WUFAGWSEKVYACE-AWEZNQCLSA-N 1 0 378.274 2.560 20 0 GFADRO C[C@H](Cn1cccn1)[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000517321480 564531056 /nfs/dbraw/zinc/53/10/56/564531056.db2.gz AACCSOFHNXJNNS-DGCLKSJQSA-N 1 0 388.693 2.717 20 0 GFADRO COCCNC(=O)[C@H]1CC[C@H](C)[N@H+](Cc2cccc(Br)c2OC)C1 ZINC000481997585 564531691 /nfs/dbraw/zinc/53/16/91/564531691.db2.gz IQVGDGLRMQLELU-ZFWWWQNUSA-N 1 0 399.329 2.821 20 0 GFADRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1ccc(I)cn1 ZINC000455007309 564531951 /nfs/dbraw/zinc/53/19/51/564531951.db2.gz YIXWCNSLUSWPIS-NWDGAFQWSA-N 1 0 387.265 2.536 20 0 GFADRO COC(=O)CCC(C)(C)[NH2+]Cc1cn(-c2ccccc2Br)nn1 ZINC000517446455 564534845 /nfs/dbraw/zinc/53/48/45/564534845.db2.gz FHWJRABPMLFNGI-UHFFFAOYSA-N 1 0 381.274 2.851 20 0 GFADRO Cc1cc(Br)c(NC(=O)N2CCN(C)C[C@H]2C[NH3+])cc1Cl ZINC000517535911 564535355 /nfs/dbraw/zinc/53/53/55/564535355.db2.gz MXKUXBCEXZJUKJ-SNVBAGLBSA-N 1 0 375.698 2.518 20 0 GFADRO O=S(=O)(NCC1([NH+]2CCSCC2)CCCCC1)c1cccc(F)c1F ZINC000482162200 564536765 /nfs/dbraw/zinc/53/67/65/564536765.db2.gz YYUWHCKMIBBDGN-UHFFFAOYSA-N 1 0 390.521 2.995 20 0 GFADRO C[C@@H]1C[C@@H](C)CN(S(=O)(=O)NCC2([NH+]3CCSCC3)CCCCC2)C1 ZINC000482160312 564536851 /nfs/dbraw/zinc/53/68/51/564536851.db2.gz STTWZYRTTGRKDN-IAGOWNOFSA-N 1 0 389.631 2.550 20 0 GFADRO Cc1ccc(S(=O)(=O)NCC[N@H+]2CCCC[C@H]2C)c(Br)c1 ZINC000517582780 564537576 /nfs/dbraw/zinc/53/75/76/564537576.db2.gz KCGOKSUWTQTISJ-CYBMUJFWSA-N 1 0 375.332 2.910 20 0 GFADRO CCOCCOc1ccc(Br)cc1NC(=O)NC[C@H](C)[NH+](C)C ZINC000455117018 564537709 /nfs/dbraw/zinc/53/77/09/564537709.db2.gz VKCLYLANGIMODR-LBPRGKRZSA-N 1 0 388.306 2.936 20 0 GFADRO O=C(Nc1ccc(Cl)c(OC(F)F)c1)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000455119099 564537741 /nfs/dbraw/zinc/53/77/41/564537741.db2.gz ZBGUBBATNPGAAX-LBPRGKRZSA-N 1 0 377.819 2.910 20 0 GFADRO COCCN(CCNC(=O)NC(C)C)Cc1cc(Br)cs1 ZINC000571161573 564538055 /nfs/dbraw/zinc/53/80/55/564538055.db2.gz NUSWMFCIBYNURM-UHFFFAOYSA-N 1 0 378.336 2.667 20 0 GFADRO Cc1cccc(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC3)C2)c1I ZINC000517649934 564539008 /nfs/dbraw/zinc/53/90/08/564539008.db2.gz SJCJVHMJQZPMBW-CYBMUJFWSA-N 1 0 384.261 2.908 20 0 GFADRO C[C@H](NS(=O)(=O)c1c(F)cccc1OC(F)(F)F)C(C)(C)C[NH+](C)C ZINC000571187928 564540105 /nfs/dbraw/zinc/54/01/05/564540105.db2.gz BJWNVWMGKJABDD-JTQLQIEISA-N 1 0 386.411 2.979 20 0 GFADRO CCCC1CCC(C[NH2+]CCNS(=O)(=O)c2sc(=O)[nH]c2C)CC1 ZINC000482500012 564543379 /nfs/dbraw/zinc/54/33/79/564543379.db2.gz HLFIEFUKGJAZLN-UHFFFAOYSA-N 1 0 375.560 2.632 20 0 GFADRO Cc1[nH]c(=O)sc1S(=O)(=O)NCC[NH2+]Cc1ccc(Cl)c(Cl)c1 ZINC000482523093 564544838 /nfs/dbraw/zinc/54/48/38/564544838.db2.gz CBDBZWHLCYLDST-UHFFFAOYSA-N 1 0 396.321 2.532 20 0 GFADRO CC(C)N(CC[NH+](C)C)C(=O)C(=O)NCCCc1ccc(Cl)cc1Cl ZINC000571317997 564545362 /nfs/dbraw/zinc/54/53/62/564545362.db2.gz DQYBOMOIUINZIA-UHFFFAOYSA-N 1 0 388.339 2.841 20 0 GFADRO O=C(NC[C@H]1CCC[N@H+]1CCCO)Nc1cc(F)cc(F)c1Br ZINC000455258010 564546036 /nfs/dbraw/zinc/54/60/36/564546036.db2.gz QAYTXCWXCYBIRJ-LLVKDONJSA-N 1 0 392.244 2.696 20 0 GFADRO CS(=O)(=O)N1CC[C@@H](C[NH2+]Cc2cnc(-c3ccc(Cl)cc3)s2)C1 ZINC000571350521 564547110 /nfs/dbraw/zinc/54/71/10/564547110.db2.gz VUBBRIHMVLOUOA-LBPRGKRZSA-N 1 0 385.942 2.835 20 0 GFADRO O=C1[C@H]([NH2+]CC2(c3cccc(Br)c3)CCOCC2)CCN1C1CC1 ZINC000482649015 564547206 /nfs/dbraw/zinc/54/72/06/564547206.db2.gz PAPGBTSGEBBYRB-QGZVFWFLSA-N 1 0 393.325 2.850 20 0 GFADRO C[C@@H]([NH2+]C1CCC2(CC1)NC(=O)NC2=O)c1ccc(Br)cc1F ZINC000571391582 564549579 /nfs/dbraw/zinc/54/95/79/564549579.db2.gz GLGDEIJFAABOPJ-GRBIUAATSA-N 1 0 384.249 2.760 20 0 GFADRO CCOC(=O)CSc1nnc(NC(=O)CC[N@H+](C)C2CCCCC2)s1 ZINC000548388595 564551249 /nfs/dbraw/zinc/55/12/49/564551249.db2.gz CEXCRDCOCAEPLC-UHFFFAOYSA-N 1 0 386.543 2.786 20 0 GFADRO C[C@@H]([NH2+]CCC(=O)NCC(=O)c1ccccc1)c1ccc(Br)cn1 ZINC000482954139 564553799 /nfs/dbraw/zinc/55/37/99/564553799.db2.gz DJAXRAYBZFLXBE-CYBMUJFWSA-N 1 0 390.281 2.884 20 0 GFADRO CC(C)C[C@@](C)([NH2+]CCCS(N)(=O)=O)c1cccc(Br)c1 ZINC000483055868 564557061 /nfs/dbraw/zinc/55/70/61/564557061.db2.gz CHNFZHIABFVWLU-OAHLLOKOSA-N 1 0 377.348 2.979 20 0 GFADRO CN(C)CC[N@H+](C)CCCN(C)C(=O)COc1ccc(Cl)cc1Cl ZINC000571561905 564557460 /nfs/dbraw/zinc/55/74/60/564557460.db2.gz XKDGDNKCKJJBNW-UHFFFAOYSA-N 1 0 376.328 2.714 20 0 GFADRO CN(C)[C@]1(C[NH2+]C[C@H](O)COc2c(Cl)cccc2Cl)CCSC1 ZINC000571634144 564559662 /nfs/dbraw/zinc/55/96/62/564559662.db2.gz JMKHTLFXBQABTE-LRDDRELGSA-N 1 0 379.353 2.760 20 0 GFADRO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)c1ccc(-n2cc(Br)cn2)cc1 ZINC000571634893 564559694 /nfs/dbraw/zinc/55/96/94/564559694.db2.gz ONIDVWZQXCWQPO-XJKSGUPXSA-N 1 0 377.286 2.882 20 0 GFADRO C[C@@H]1[C@@H](NC(=O)Nc2ccn(-c3ccc(Br)cc3)n2)CCC[N@@H+]1C ZINC000455605307 564559801 /nfs/dbraw/zinc/55/98/01/564559801.db2.gz ALPURYZGWGLQBO-DOMZBBRYSA-N 1 0 392.301 3.239 20 0 GFADRO CC1(C)CN(Cc2cc(=O)n3cc(Br)ccc3n2)[C@@H]1[C@@H]1CCCO1 ZINC000571725772 564563461 /nfs/dbraw/zinc/56/34/61/564563461.db2.gz VFVSYZDBLQUCJK-WMLDXEAASA-N 1 0 392.297 2.846 20 0 GFADRO CC(C)(CNC(=O)Cn1cc(Br)cn1)[N@@H+]1CCc2ccccc2C1 ZINC000518958225 564565528 /nfs/dbraw/zinc/56/55/28/564565528.db2.gz SIVNJWHHEQDVRS-UHFFFAOYSA-N 1 0 391.313 2.599 20 0 GFADRO COCc1c(Br)cccc1NC(=O)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000571789072 564566442 /nfs/dbraw/zinc/56/64/42/564566442.db2.gz HFDUEIATSZCVGM-CYBMUJFWSA-N 1 0 393.285 2.969 20 0 GFADRO O=C(CC[NH2+]C[C@@H]1CCCCS1(=O)=O)Nc1cccc(C(F)(F)F)c1 ZINC000571791501 564567141 /nfs/dbraw/zinc/56/71/41/564567141.db2.gz WUOFSPBHASOBLC-AWEZNQCLSA-N 1 0 378.416 2.591 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C(=O)N1C[C@H](C)[NH2+][C@@H](C)C1 ZINC000571796603 564567215 /nfs/dbraw/zinc/56/72/15/564567215.db2.gz FVDNYKLPPZBOLD-RYUDHWBXSA-N 1 0 377.286 2.766 20 0 GFADRO COc1cc(I)ccc1NC(=O)NC(C)(C)C[NH+](C)C ZINC000455737637 564568062 /nfs/dbraw/zinc/56/80/62/564568062.db2.gz QBDISCIYGUZCDJ-UHFFFAOYSA-N 1 0 391.253 2.762 20 0 GFADRO COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)NCC[N@@H+]1CCCC[C@@H]1C ZINC000483464737 564568106 /nfs/dbraw/zinc/56/81/06/564568106.db2.gz SGTJWOXMDOQDMI-NSHDSACASA-N 1 0 388.295 2.931 20 0 GFADRO Cn1c(=O)sc2cc(C[NH2+]CCCn3cc(Br)cn3)ccc21 ZINC000519025130 564568537 /nfs/dbraw/zinc/56/85/37/564568537.db2.gz IAWPLHQUSXDQJS-UHFFFAOYSA-N 1 0 381.299 2.739 20 0 GFADRO Fc1cc(Br)cc(CN2CC[NH+](C[C@@H]3CCOC3)CC2)c1F ZINC000519161949 564571029 /nfs/dbraw/zinc/57/10/29/564571029.db2.gz UNJBURUIIQPPJS-LBPRGKRZSA-N 1 0 375.257 2.881 20 0 GFADRO COCC[N@@H+]1CC[C@@H](N[C@H](C)c2nc(-c3ccc(Br)cc3)no2)C1 ZINC000483654621 564572122 /nfs/dbraw/zinc/57/21/22/564572122.db2.gz OGKICUDLSHTOQJ-IUODEOHRSA-N 1 0 395.301 2.870 20 0 GFADRO C[C@H]1C[C@H](C)CN(S(=O)(=O)N(CC[NH+](C)C)Cc2cccc(Cl)c2)C1 ZINC000519412467 564577093 /nfs/dbraw/zinc/57/70/93/564577093.db2.gz SQKOAACSJWRNFP-HOTGVXAUSA-N 1 0 387.977 2.926 20 0 GFADRO COc1cc(S(=O)(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)ccc1Br ZINC000572037700 564578827 /nfs/dbraw/zinc/57/88/27/564578827.db2.gz CGTRDNLDRPVSOY-HAQNSBGRSA-N 1 0 391.331 2.501 20 0 GFADRO C[C@@H](CNC(=O)N1CC[NH+](CC2CC2)CC1)Oc1ccccc1Br ZINC000484009600 564579793 /nfs/dbraw/zinc/57/97/93/564579793.db2.gz PWWCULXXKKZPDS-AWEZNQCLSA-N 1 0 396.329 2.954 20 0 GFADRO CC1(C)[C@@H]2OCCC[C@H]2[C@@]1([NH3+])C(=O)NCCNc1cccc(Br)c1 ZINC000519541475 564580725 /nfs/dbraw/zinc/58/07/25/564580725.db2.gz FJDAEQIWUFGQOT-IIDMSEBBSA-N 1 0 396.329 2.510 20 0 GFADRO O=C(Nc1ccc(I)cc1F)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000519552250 564580805 /nfs/dbraw/zinc/58/08/05/564580805.db2.gz RKLBQBSPPSVITR-NXEZZACHSA-N 1 0 389.212 2.504 20 0 GFADRO O=C1C[C@@H](NCc2cn(-c3cccc(Cl)c3Cl)nn2)[C@@H]2CCCCN12 ZINC000548976075 564581795 /nfs/dbraw/zinc/58/17/95/564581795.db2.gz JQDXFFIIRSGEPH-KGLIPLIRSA-N 1 0 380.279 2.817 20 0 GFADRO CC(C)[NH+](CCN(C)C(=O)c1ccc(I)cn1)C(C)C ZINC000456008556 564583578 /nfs/dbraw/zinc/58/35/78/564583578.db2.gz OWNROAIWVPYAIS-UHFFFAOYSA-N 1 0 389.281 2.877 20 0 GFADRO CC[NH+](CC)CC[C@@H](CO)NC(=O)[C@H](C)Cc1ccc(Br)cc1 ZINC000572185787 564584263 /nfs/dbraw/zinc/58/42/63/564584263.db2.gz NILWOWWXTYCIRU-PBHICJAKSA-N 1 0 385.346 2.837 20 0 GFADRO CC(C)(C)[NH+]1CCC(NC(=O)NCCCn2cc(Br)cn2)CC1 ZINC000484297712 564585653 /nfs/dbraw/zinc/58/56/53/564585653.db2.gz RHYQFJUXBYIFTQ-UHFFFAOYSA-N 1 0 386.338 2.598 20 0 GFADRO NC(=O)c1ccc(C[NH2+][C@@H]2CCCOc3cc(Br)ccc32)cn1 ZINC000484296537 564585672 /nfs/dbraw/zinc/58/56/72/564585672.db2.gz QNDSYRGNGVHEBW-CQSZACIVSA-N 1 0 376.254 2.947 20 0 GFADRO CC(C)(CO)CC[NH2+]C[C@H](O)COc1ccc(Cl)cc1Br ZINC000572242958 564586333 /nfs/dbraw/zinc/58/63/33/564586333.db2.gz FEZPZQKMLWISCB-LBPRGKRZSA-N 1 0 380.710 2.840 20 0 GFADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000456061709 564586645 /nfs/dbraw/zinc/58/66/45/564586645.db2.gz HUIFDPZCYMSXFK-JCGIZDLHSA-N 1 0 394.357 2.695 20 0 GFADRO [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)N1CCN(Cc2ccc(Cl)s2)CC1 ZINC000572264002 564586669 /nfs/dbraw/zinc/58/66/69/564586669.db2.gz MQLUKJDOIOUMBH-HFZWIWRYSA-N 1 0 382.961 2.745 20 0 GFADRO CCN(C)C(=O)CC[N@H+](CCC(=O)OC)Cc1cccc(Br)c1 ZINC000484332563 564586888 /nfs/dbraw/zinc/58/68/88/564586888.db2.gz ZHADHSUXPRHERP-UHFFFAOYSA-N 1 0 385.302 2.683 20 0 GFADRO Cc1nc2cc(Cl)c(NC(=O)C(=O)N(C)CC[N@H+](C)C3CC3)cc2s1 ZINC000484360682 564587443 /nfs/dbraw/zinc/58/74/43/564587443.db2.gz NKDLURYDIVTUHD-UHFFFAOYSA-N 1 0 380.901 2.749 20 0 GFADRO Cc1nccn1C[C@H](C)C[NH2+]C[C@H](O)COc1ccc(Br)cc1 ZINC000572274733 564588020 /nfs/dbraw/zinc/58/80/20/564588020.db2.gz LYNOJJDUEZNLJX-CJNGLKHVSA-N 1 0 382.302 2.620 20 0 GFADRO C[NH+](C)C[C@@H](NC(=O)[C@@H]1CCN(CC(F)(F)F)C1)c1ccc(Cl)cc1 ZINC000549233467 564588877 /nfs/dbraw/zinc/58/88/77/564588877.db2.gz ZJNREUOUTCCGGU-UKRRQHHQSA-N 1 0 377.838 2.943 20 0 GFADRO CC[NH+]1CCN(CC(=O)NCC2(c3ccccc3Br)CCC2)CC1 ZINC000572311047 564589923 /nfs/dbraw/zinc/58/99/23/564589923.db2.gz CBBZWGUDNCEWMP-UHFFFAOYSA-N 1 0 394.357 2.625 20 0 GFADRO CN(C)CC[N@H+](C)CCCNC(=O)CSc1cccc(Br)c1 ZINC000519786408 564590309 /nfs/dbraw/zinc/59/03/09/564590309.db2.gz WNVZOVFIOCJLAV-UHFFFAOYSA-N 1 0 388.375 2.541 20 0 GFADRO C[C@@H]1CN(S(=O)(=O)Cc2cc(Cl)ccc2Br)CC[C@@H]1[NH3+] ZINC000572363316 564591622 /nfs/dbraw/zinc/59/16/22/564591622.db2.gz UWRSFVSALQDGHT-RNCFNFMXSA-N 1 0 381.723 2.601 20 0 GFADRO CS[C@H]1CN(CC(=O)N(CC(C)C)CC(F)(F)F)C[C@@H]1[NH+]1CCCC1 ZINC000484621535 564592636 /nfs/dbraw/zinc/59/26/36/564592636.db2.gz OXJYNXZUEAUVGI-GJZGRUSLSA-N 1 0 381.508 2.545 20 0 GFADRO COC(=O)CC[N@H+](CCc1ccnn1C)Cc1cccc(Br)c1 ZINC000549346833 564592794 /nfs/dbraw/zinc/59/27/94/564592794.db2.gz BNKJVJOQGIYJBT-UHFFFAOYSA-N 1 0 380.286 2.790 20 0 GFADRO Cn1cnnc1C[NH2+]C1(Cc2ccc(F)cc2Br)CCOCC1 ZINC000520201096 564599097 /nfs/dbraw/zinc/59/90/97/564599097.db2.gz WSJHAPPXHJUNII-UHFFFAOYSA-N 1 0 383.265 2.598 20 0 GFADRO Cc1cccc(C(=O)N2CC3CCC2(C[NH3+])CC3)c1I ZINC000520245696 564600089 /nfs/dbraw/zinc/60/00/89/564600089.db2.gz AXPCCSBMYSKMDA-UHFFFAOYSA-N 1 0 384.261 2.943 20 0 GFADRO CC(=O)N1CCC(C[NH2+]C[C@@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000520396920 564603822 /nfs/dbraw/zinc/60/38/22/564603822.db2.gz UOJBWGOPQQSNML-CQSZACIVSA-N 1 0 375.296 2.581 20 0 GFADRO CC[C@@H]1C[N@H+](CC)CCN1C(=O)c1cc(I)ccc1O ZINC000456391525 564604740 /nfs/dbraw/zinc/60/47/40/564604740.db2.gz WKXLMTVLIATAGM-GFCCVEGCSA-N 1 0 388.249 2.553 20 0 GFADRO Cc1cc(NC(=O)C[N@@H+]2C[C@H](O)C[C@@H]2[C@@H]2CCCOC2)ccc1Br ZINC000520508080 564606100 /nfs/dbraw/zinc/60/61/00/564606100.db2.gz JRLYJZNQIVGJFV-FRFSOERESA-N 1 0 397.313 2.558 20 0 GFADRO CSCc1cnc(C[NH2+][C@@H](C)CCNS(=O)(=O)c2ccccc2)s1 ZINC000549821164 564606586 /nfs/dbraw/zinc/60/65/86/564606586.db2.gz OZIFBSJEMLSMEG-ZDUSSCGKSA-N 1 0 385.580 2.853 20 0 GFADRO O=C(CC[N@@H+](CCO)Cc1ccc(Br)s1)Nc1cccnc1 ZINC000485125340 564607273 /nfs/dbraw/zinc/60/72/73/564607273.db2.gz PIALSGKJJXNEFY-UHFFFAOYSA-N 1 0 384.299 2.729 20 0 GFADRO O=S(=O)(c1cc(F)ccc1Br)N1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000520552038 564607603 /nfs/dbraw/zinc/60/76/03/564607603.db2.gz PLXORCIHKOBOKP-KBPBESRZSA-N 1 0 391.306 2.883 20 0 GFADRO Cc1ccc(C[C@H](CO)CNC(=O)[C@H](C(C)C)[NH+](C)C)cc1Br ZINC000456480985 564609578 /nfs/dbraw/zinc/60/95/78/564609578.db2.gz DSIMTBJBYVEFKL-RDJZCZTQSA-N 1 0 385.346 2.611 20 0 GFADRO CCOc1cc(C[N@H+](C)C[C@H]2CCN(C(C)=O)C2)cc(Br)c1O ZINC000485205353 564609733 /nfs/dbraw/zinc/60/97/33/564609733.db2.gz IQOKLTYXOBLNHI-CYBMUJFWSA-N 1 0 385.302 2.854 20 0 GFADRO C[C@@H]1CN(C[C@@H](O)C[N@H+](Cc2cccc(Br)c2)C2CC2)C[C@H](C)O1 ZINC000520694987 564610295 /nfs/dbraw/zinc/61/02/95/564610295.db2.gz JESVHOCDSIBIOG-ZRGWGRIASA-N 1 0 397.357 2.884 20 0 GFADRO Cn1cc(-c2ccc(C[NH2+]CCn3cc(Br)ccc3=O)s2)cn1 ZINC000572810915 564611205 /nfs/dbraw/zinc/61/12/05/564611205.db2.gz RMZNIJHYYRPYGK-UHFFFAOYSA-N 1 0 393.310 2.863 20 0 GFADRO CN(Cc1c(F)cccc1Cl)S(=O)(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000520740651 564611940 /nfs/dbraw/zinc/61/19/40/564611940.db2.gz ZHGCFJNQEZLHNI-CYBMUJFWSA-N 1 0 389.924 2.762 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)c2cn(-c3ccc(Br)cc3)cn2)C1 ZINC000572839877 564613022 /nfs/dbraw/zinc/61/30/22/564613022.db2.gz ABXXGBPTSNCJJB-CHWSQXEVSA-N 1 0 377.286 2.834 20 0 GFADRO CCC[NH+]1CCC(NC(=O)C(=O)NCCc2cc(Cl)cc(Cl)c2)CC1 ZINC000550128622 564615520 /nfs/dbraw/zinc/61/55/20/564615520.db2.gz JDATUQFKGDBCSU-UHFFFAOYSA-N 1 0 386.323 2.643 20 0 GFADRO CC[C@@H]([NH2+]C[C@@H]1CCCCN1S(=O)(=O)N(C)C)c1ccc(F)cc1F ZINC000572948005 564616158 /nfs/dbraw/zinc/61/61/58/564616158.db2.gz IPTUARHAXJVBKX-WMLDXEAASA-N 1 0 375.485 2.666 20 0 GFADRO CC[C@H](C)[NH+]1CCN(C(=O)Cc2ccccc2I)CC1 ZINC000456539661 564616616 /nfs/dbraw/zinc/61/66/16/564616616.db2.gz YMIUMLXARPOBFA-ZDUSSCGKSA-N 1 0 386.277 2.776 20 0 GFADRO CN1C[C@@H]([NH2+]Cc2cc(Br)ccc2OCc2ccccn2)CC1=O ZINC000520974275 564616826 /nfs/dbraw/zinc/61/68/26/564616826.db2.gz ZMVMNNCEESGXAS-INIZCTEOSA-N 1 0 390.281 2.743 20 0 GFADRO CC[C@@H](C)[NH+]1CCN(C(=O)c2cc(Br)c3c(c2)OCCO3)CC1 ZINC000456562474 564617245 /nfs/dbraw/zinc/61/72/45/564617245.db2.gz VOYRTWCYTWXXBO-GFCCVEGCSA-N 1 0 383.286 2.777 20 0 GFADRO C[N@@H+]1CCC[C@]2(CCN([C@@H]3CCN(c4cccc(Br)c4)C3=O)C2)C1 ZINC000550238107 564617765 /nfs/dbraw/zinc/61/77/65/564617765.db2.gz RSCJHNMLJKYJGI-MJGOQNOKSA-N 1 0 392.341 2.972 20 0 GFADRO COC[C@@H](C)OC[C@@H](O)C[NH2+]CCc1ccc(Br)cc1Cl ZINC000572992833 564617921 /nfs/dbraw/zinc/61/79/21/564617921.db2.gz BHIYJUGMRCPPTQ-RISCZKNCSA-N 1 0 380.710 2.647 20 0 GFADRO O=C(NCc1ccc(Cl)cc1Cl)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000550292402 564618822 /nfs/dbraw/zinc/61/88/22/564618822.db2.gz WMHXXIQTEAYVEJ-OAHLLOKOSA-N 1 0 384.307 2.696 20 0 GFADRO CN(c1nnc(-c2cccc(Br)c2)n1C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000573019764 564619846 /nfs/dbraw/zinc/61/98/46/564619846.db2.gz KKHBRPSQMJZPFM-HNNXBMFYSA-N 1 0 376.302 2.918 20 0 GFADRO C[C@@H](NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(Br)cc1 ZINC000550348888 564621804 /nfs/dbraw/zinc/62/18/04/564621804.db2.gz LDBJXJZOMCFJNH-WOSRLPQWSA-N 1 0 396.329 2.567 20 0 GFADRO CC[C@H](NC(=O)[C@@H]1C[N@@H+]2CCN1CCC2)c1cc(F)cc(Br)c1 ZINC000485667498 564622626 /nfs/dbraw/zinc/62/26/26/564622626.db2.gz GLBFVJCYINIAJX-HOTGVXAUSA-N 1 0 384.293 2.545 20 0 GFADRO Cc1cc(CNC(=O)C(=O)NC[C@@H](c2cccs2)[NH+](C)C)ccc1Cl ZINC000550379010 564622535 /nfs/dbraw/zinc/62/25/35/564622535.db2.gz YAWVNUBEMRYSGF-HNNXBMFYSA-N 1 0 379.913 2.745 20 0 GFADRO COCCNS(=O)(=O)c1ccc(C[NH2+]Cc2cc(F)cc(Cl)c2)cc1 ZINC000485684491 564622765 /nfs/dbraw/zinc/62/27/65/564622765.db2.gz MJHSNQRNGBFJFM-UHFFFAOYSA-N 1 0 386.876 2.694 20 0 GFADRO COc1cc([C@H](C)[NH2+][C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)ccn1 ZINC000573137744 564624141 /nfs/dbraw/zinc/62/41/41/564624141.db2.gz XHLZMHPEVRRGDT-DZGCQCFKSA-N 1 0 381.523 2.656 20 0 GFADRO Cn1c(SCC(=O)N2CCCC[C@H]2C[NH+](C)C)nnc1-c1cccs1 ZINC000521518883 564629261 /nfs/dbraw/zinc/62/92/61/564629261.db2.gz STHBHDKNMPVODQ-ZDUSSCGKSA-N 1 0 379.555 2.578 20 0 GFADRO COc1cc(Cl)c(S(=O)(=O)N2CC3(C[C@@H]2C)CC[NH2+]CC3)cc1OC ZINC000573235511 564629438 /nfs/dbraw/zinc/62/94/38/564629438.db2.gz VNCCTJQUTCWNSS-LBPRGKRZSA-N 1 0 388.917 2.510 20 0 GFADRO C[N@@H+]1CC[C@@](O)(CNC(=O)NCC2(c3c(Cl)cccc3Cl)CCC2)C1 ZINC000521535027 564629710 /nfs/dbraw/zinc/62/97/10/564629710.db2.gz BDCJZCRPQMLPIC-GOSISDBHSA-N 1 0 386.323 2.781 20 0 GFADRO C[C@H](NC(=O)[C@H]1C[N@H+](C)C[C@@H]1C)c1cc2c(cc1Br)OCCO2 ZINC000485974323 564633635 /nfs/dbraw/zinc/63/36/35/564633635.db2.gz CTLSGKFUWIFPTP-GVXVVHGQSA-N 1 0 383.286 2.595 20 0 GFADRO Cc1ccc(C(=O)N2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)cc1Br ZINC000486017201 564636288 /nfs/dbraw/zinc/63/62/88/564636288.db2.gz ORSWYFLGXFMQAI-YJBOKZPZSA-N 1 0 394.357 2.856 20 0 GFADRO [NH3+][C@@H]1CCO[C@H](C2CCN(CC(=O)Nc3ccc(Br)cc3)CC2)C1 ZINC000573467743 564639338 /nfs/dbraw/zinc/63/93/38/564639338.db2.gz VRUFAQQAUGEWPG-WBVHZDCISA-N 1 0 396.329 2.606 20 0 GFADRO Cc1cc(Br)cc(NCC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)c1 ZINC000486112665 564639686 /nfs/dbraw/zinc/63/96/86/564639686.db2.gz AVOSSEMBEYCPDC-QGZVFWFLSA-N 1 0 398.345 2.642 20 0 GFADRO CCC[C@H]1C[NH2+]CCN1C(=O)NCc1cc(Br)cc2c1OCC2 ZINC000573465082 564639693 /nfs/dbraw/zinc/63/96/93/564639693.db2.gz VAIVPNRNJAIFFM-HNNXBMFYSA-N 1 0 382.302 2.668 20 0 GFADRO Cc1ccc(Br)cc1NCC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000486148088 564641056 /nfs/dbraw/zinc/64/10/56/564641056.db2.gz JXDZXQJXJLDOMH-MRXNPFEDSA-N 1 0 398.345 2.642 20 0 GFADRO C[C@H]1CN(C(=O)c2ccc(F)c(Br)c2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000486145395 564641178 /nfs/dbraw/zinc/64/11/78/564641178.db2.gz BXONZZLCUNZNMC-GUYCJALGSA-N 1 0 398.320 2.686 20 0 GFADRO C[C@@H]1CC[N@H+](C)CCN1C(=O)c1c(O)cnc2c(Br)cccc21 ZINC000486245974 564645168 /nfs/dbraw/zinc/64/51/68/564645168.db2.gz SPIZNNNBOYSAJY-LLVKDONJSA-N 1 0 378.270 2.869 20 0 GFADRO Cc1cc(NC(=O)CC[NH2+][C@@H](C)Cc2ccc(F)c(Br)c2)no1 ZINC000573595714 564645331 /nfs/dbraw/zinc/64/53/31/564645331.db2.gz HZKHGAHUYYBATF-JTQLQIEISA-N 1 0 384.249 3.434 20 0 GFADRO O=S(=O)(c1ccc(OC(F)F)c(Cl)c1)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000573608416 564645911 /nfs/dbraw/zinc/64/59/11/564645911.db2.gz PVOFNLIMRKINIK-NEPJUHHUSA-N 1 0 394.871 2.952 20 0 GFADRO Cn1c(SCC(=O)NCC[N@@H+]2CCCC2(C)C)nnc1-c1cccs1 ZINC000457082253 564646091 /nfs/dbraw/zinc/64/60/91/564646091.db2.gz WMXFTIMYPFOVTB-UHFFFAOYSA-N 1 0 379.555 2.626 20 0 GFADRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(I)c(O)c2)C1 ZINC000457094663 564646590 /nfs/dbraw/zinc/64/65/90/564646590.db2.gz PBOWFLJSTIYRGK-GFCCVEGCSA-N 1 0 388.249 2.552 20 0 GFADRO C[N@H+](CC(=O)N1CCO[C@@H](c2cccc(Br)c2)C1)[C@H]1CCSC1 ZINC000486290145 564647014 /nfs/dbraw/zinc/64/70/14/564647014.db2.gz GKGGJFJLAVUFFD-JKSUJKDBSA-N 1 0 399.354 2.786 20 0 GFADRO Cn1cc(Br)cc1-c1nnc(N2CC[NH+](C3CC3)CC2)n1C1CC1 ZINC000573692779 564649936 /nfs/dbraw/zinc/64/99/36/564649936.db2.gz PUIKPXCRYRERRK-UHFFFAOYSA-N 1 0 391.317 2.665 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)cc1Br ZINC000486384867 564650662 /nfs/dbraw/zinc/65/06/62/564650662.db2.gz YUCQCAOKMQNORL-GOEBONIOSA-N 1 0 394.313 2.747 20 0 GFADRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)c1cc(F)ccc1I ZINC000522383531 564651155 /nfs/dbraw/zinc/65/11/55/564651155.db2.gz AMRYQNJNTZLFJG-LLVKDONJSA-N 1 0 390.240 2.844 20 0 GFADRO CC(C)c1ccc(Cl)c(S(=O)(=O)N2CCN(CC(C)(C)O)[C@H](C)C2)c1 ZINC000551516085 564652640 /nfs/dbraw/zinc/65/26/40/564652640.db2.gz WHOGIOHXNHKSLC-CQSZACIVSA-N 1 0 388.961 2.929 20 0 GFADRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)COc2ccsc2Cl)CC1 ZINC000551519246 564653232 /nfs/dbraw/zinc/65/32/32/564653232.db2.gz BTQUHOMBSKSPMC-HUUCEWRRSA-N 1 0 385.961 2.797 20 0 GFADRO CC(C)NS(=O)(=O)NCC[NH2+][C@H](C)c1ccc(OC(C)C)c(Cl)c1 ZINC000551517345 564653335 /nfs/dbraw/zinc/65/33/35/564653335.db2.gz KPWSAKMMFCZKBH-CYBMUJFWSA-N 1 0 377.938 2.610 20 0 GFADRO C[C@H]1CN(C(=O)NCCNc2ncc(Cl)cc2Cl)CC[N@@H+](C2CC2)C1 ZINC000573803242 564655236 /nfs/dbraw/zinc/65/52/36/564655236.db2.gz HALWOYXBZNNIFU-GFCCVEGCSA-N 1 0 386.327 2.926 20 0 GFADRO C[NH+](C)CCN(CC(=O)OC(C)(C)C)C(=O)COc1ccsc1Cl ZINC000573823665 564656211 /nfs/dbraw/zinc/65/62/11/564656211.db2.gz SMZSAUSWVGOEAL-UHFFFAOYSA-N 1 0 376.906 2.512 20 0 GFADRO [NH3+]CC[C@H]1CCCN(C(=O)c2ccc(-n3cc(Br)cn3)cc2)C1 ZINC000573844134 564656268 /nfs/dbraw/zinc/65/62/68/564656268.db2.gz PCZMQVFOKIKKLO-CYBMUJFWSA-N 1 0 377.286 2.836 20 0 GFADRO CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)c3cccc(F)c3Br)C2)CC1 ZINC000551591406 564656428 /nfs/dbraw/zinc/65/64/28/564656428.db2.gz KTEQGFKNKIGVPU-CQSZACIVSA-N 1 0 398.320 2.829 20 0 GFADRO CC(=O)N[C@@H](CC(=O)N1CC[C@H](C)[C@H]([NH3+])[C@@H]1C)c1ccc(Br)cc1 ZINC000457375631 564658773 /nfs/dbraw/zinc/65/87/73/564658773.db2.gz YEMGZYCZWPBJCD-YHRPIOBOSA-N 1 0 396.329 2.601 20 0 GFADRO CCNS(=O)(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000522967763 564660074 /nfs/dbraw/zinc/66/00/74/564660074.db2.gz KBPWYPFKTGWIMQ-ZFWWWQNUSA-N 1 0 379.448 2.532 20 0 GFADRO CC[NH+](CC)CCCNC(=O)N[C@@H]1CCO[C@H]1c1cncc(Br)c1 ZINC000457430503 564660234 /nfs/dbraw/zinc/66/02/34/564660234.db2.gz JQHHHRLDXGSIKV-CVEARBPZSA-N 1 0 399.333 2.705 20 0 GFADRO CCNS(=O)(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000522967762 564660463 /nfs/dbraw/zinc/66/04/63/564660463.db2.gz KBPWYPFKTGWIMQ-UKRRQHHQSA-N 1 0 379.448 2.532 20 0 GFADRO CCNC(=O)NC(=O)[C@H](C)[NH2+][C@H](CCOC)c1ccc(Cl)c(Cl)c1 ZINC000551723845 564661808 /nfs/dbraw/zinc/66/18/08/564661808.db2.gz SNQVOECEKMLTPX-IINYFYTJSA-N 1 0 376.284 2.895 20 0 GFADRO C[C@@H](NC(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1)c1ccccc1Br ZINC000457472662 564662416 /nfs/dbraw/zinc/66/24/16/564662416.db2.gz XNIRGBWBCXSTEX-HZSPNIEDSA-N 1 0 384.318 2.607 20 0 GFADRO CC[NH+]1CCN(c2ccc(CNC(=O)c3cc(Br)co3)cn2)CC1 ZINC000457465027 564662435 /nfs/dbraw/zinc/66/24/35/564662435.db2.gz RKJRMVYZTQCITI-UHFFFAOYSA-N 1 0 393.285 2.509 20 0 GFADRO CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)NCC[N@H+](C)C(C)C ZINC000523205155 564663105 /nfs/dbraw/zinc/66/31/05/564663105.db2.gz OKSKAWAJYSTZCC-INIZCTEOSA-N 1 0 385.961 2.648 20 0 GFADRO C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+][C@@H](C)C1(S(C)(=O)=O)CC1 ZINC000573988022 564663592 /nfs/dbraw/zinc/66/35/92/564663592.db2.gz UJPKNCPWLDSRQT-KGLIPLIRSA-N 1 0 386.945 2.632 20 0 GFADRO C[NH+](C)C[C@H]1CCCN1C(=O)c1cn(Cc2ccc(Cl)cc2Cl)nn1 ZINC000457541377 564665338 /nfs/dbraw/zinc/66/53/38/564665338.db2.gz QBMBUBZKNJUNRM-CQSZACIVSA-N 1 0 382.295 2.799 20 0 GFADRO C[C@@H]([NH3+])C1CCN(c2ncnc3cccc(I)c32)CC1 ZINC000574025409 564665403 /nfs/dbraw/zinc/66/54/03/564665403.db2.gz JLRBJDCMXYWKPW-SNVBAGLBSA-N 1 0 382.249 2.798 20 0 GFADRO C[N@@H+]1C[C@H](NS(=O)(=O)Cc2ccc(Cl)c(F)c2)[C@H](c2ccccc2)C1 ZINC000574052495 564666460 /nfs/dbraw/zinc/66/64/60/564666460.db2.gz MOMPDBGUKXFFCO-YJBOKZPZSA-N 1 0 382.888 2.996 20 0 GFADRO CN(C)S(=O)(=O)N1CCC[C@@H]([NH2+][C@H]2CCc3c2cc(Cl)cc3Cl)C1 ZINC000574109237 564668608 /nfs/dbraw/zinc/66/86/08/564668608.db2.gz AMKFNPFMDSYIMU-WBMJQRKESA-N 1 0 392.352 2.841 20 0 GFADRO CCNC(=O)C1(C[NH2+]Cc2cn(-c3ccc(Cl)c(Cl)c3)nn2)CCC1 ZINC000486885986 564670187 /nfs/dbraw/zinc/67/01/87/564670187.db2.gz LNNYJAPDPKXKMM-UHFFFAOYSA-N 1 0 382.295 2.970 20 0 GFADRO CC[NH+](CC)[C@H](C)CNC(=O)N[C@@H]1CCO[C@H]1c1cncc(Br)c1 ZINC000457712646 564670348 /nfs/dbraw/zinc/67/03/48/564670348.db2.gz PYGGFIITNYYASB-WQVCFCJDSA-N 1 0 399.333 2.704 20 0 GFADRO CC[NH+](CC)C[C@H](C)NC(=O)c1ccc(I)c(F)c1 ZINC000523660018 564670359 /nfs/dbraw/zinc/67/03/59/564670359.db2.gz BUQLVGBESFODEW-JTQLQIEISA-N 1 0 378.229 2.890 20 0 GFADRO CC[C@H](NC(=O)NC[C@](C)(O)C[NH+](C)C)c1cc(F)cc(Br)c1 ZINC000487068681 564674270 /nfs/dbraw/zinc/67/42/70/564674270.db2.gz QYQIPLHYFUIELW-HOCLYGCPSA-N 1 0 390.297 2.651 20 0 GFADRO O=C(NC[C@]1(O)C[NH+]2CCC1CC2)C1(c2ccc(Cl)c(Cl)c2)CCC1 ZINC000552027486 564674681 /nfs/dbraw/zinc/67/46/81/564674681.db2.gz MZBAOVCGAOTIBP-IBGZPJMESA-N 1 0 383.319 2.988 20 0 GFADRO CC[C@@H](C(=O)N[C@@H]1CCO[C@H]1c1cncc(Br)c1)[NH+](CC)CC ZINC000457835921 564675635 /nfs/dbraw/zinc/67/56/35/564675635.db2.gz VUQIYVVTYDXHBC-PMPSAXMXSA-N 1 0 384.318 2.911 20 0 GFADRO C[C@@H]([NH2+]CCCNS(=O)(=O)c1ccccc1Br)c1ccccn1 ZINC000552091802 564676524 /nfs/dbraw/zinc/67/65/24/564676524.db2.gz YNTRDGLQUCJWNS-CYBMUJFWSA-N 1 0 398.326 2.863 20 0 GFADRO CCS(=O)(=O)N1CCC(C[NH2+][C@@H](C)c2cncc(Br)c2)CC1 ZINC000574532934 564678098 /nfs/dbraw/zinc/67/80/98/564678098.db2.gz WQJBKGCEOZTJAE-LBPRGKRZSA-N 1 0 390.347 2.556 20 0 GFADRO CC[C@H]1CN(CC[NH2+]Cc2cn(-c3cccc(Cl)c3Cl)nn2)CCO1 ZINC000487210849 564679223 /nfs/dbraw/zinc/67/92/23/564679223.db2.gz OLQGWTIIKXZDPG-AWEZNQCLSA-N 1 0 384.311 2.775 20 0 GFADRO C[C@@H](C(=O)N1CC[C@H](C(F)(F)F)C2(CCOCC2)C1)N1CCSCC1 ZINC000457924574 564679821 /nfs/dbraw/zinc/67/98/21/564679821.db2.gz KVXOJSIYYQLOKJ-KBPBESRZSA-N 1 0 380.476 2.631 20 0 GFADRO C[NH+](C)C1(CNC(=O)N[C@H]2C[C@@H]2c2cccc(Br)c2)CCOCC1 ZINC000524359090 564680820 /nfs/dbraw/zinc/68/08/20/564680820.db2.gz VEIDMTVCHXGSKT-CVEARBPZSA-N 1 0 396.329 2.715 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H](CNC(=O)c2ccc(S(=O)(=O)c3ccccc3)s2)C1 ZINC000574630685 564681960 /nfs/dbraw/zinc/68/19/60/564681960.db2.gz NCZJVFUDCKLOFP-ZIAGYGMSSA-N 1 0 378.519 2.828 20 0 GFADRO CCc1nn(C)c(OC)c1C[NH2+]C[C@H](O)COc1c(Cl)cccc1Cl ZINC000574631133 564682324 /nfs/dbraw/zinc/68/23/24/564682324.db2.gz BQPXDJCMUKQFQR-NSHDSACASA-N 1 0 388.295 2.827 20 0 GFADRO O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cc(I)c[nH]1 ZINC000524521037 564682403 /nfs/dbraw/zinc/68/24/03/564682403.db2.gz PGKSITACQUFSLY-CQSZACIVSA-N 1 0 395.244 2.624 20 0 GFADRO O=S(=O)(NCC[NH2+][C@H]1CCc2cccnc2CC1)c1cccc(Cl)c1 ZINC000574680929 564684745 /nfs/dbraw/zinc/68/47/45/564684745.db2.gz GQCYENUAQHYXOS-INIZCTEOSA-N 1 0 379.913 2.551 20 0 GFADRO C[C@H]([NH2+]Cc1ccc(C[S@@](C)=O)cc1)c1cccc(NS(C)(=O)=O)c1 ZINC000552298138 564685437 /nfs/dbraw/zinc/68/54/37/564685437.db2.gz SHRIUJRDGLYEHR-LFPIHBKWSA-N 1 0 380.535 2.787 20 0 GFADRO C[C@H](NC(=O)c1ccc(Br)cc1)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000487409535 564686849 /nfs/dbraw/zinc/68/68/49/564686849.db2.gz DZXVOPKRTKXVFR-RCBQFDQVSA-N 1 0 396.329 2.556 20 0 GFADRO CC(C)C[C@H]([NH3+])C(=O)N1CCN(Cc2cc(Br)ccc2F)CC1 ZINC000574754818 564688063 /nfs/dbraw/zinc/68/80/63/564688063.db2.gz MAKSBLLDWZWQRX-INIZCTEOSA-N 1 0 386.309 2.606 20 0 GFADRO C[NH+]1CCC(CCNC(=O)N(CCO)Cc2cccc(Br)c2)CC1 ZINC000487492967 564689872 /nfs/dbraw/zinc/68/98/72/564689872.db2.gz RNRHIHQWRLYSFJ-UHFFFAOYSA-N 1 0 398.345 2.685 20 0 GFADRO CCC[C@H](C(=O)NC[C@H](CO)Cc1cc(F)cc(Br)c1)[NH+](C)C ZINC000458149485 564691252 /nfs/dbraw/zinc/69/12/52/564691252.db2.gz PGWMSWANUNYRDT-CZUORRHYSA-N 1 0 389.309 2.586 20 0 GFADRO COc1cc(C)c(Br)cc1NC(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC000575125059 564692660 /nfs/dbraw/zinc/69/26/60/564692660.db2.gz ULMBLYAIZRXTKV-UHFFFAOYSA-N 1 0 394.273 2.534 20 0 GFADRO CN(CC[NH+]1CCCC1)C(=O)[C@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1 ZINC000487617823 564693037 /nfs/dbraw/zinc/69/30/37/564693037.db2.gz CVVOUOQWTDCDKD-ZDUSSCGKSA-N 1 0 384.307 2.901 20 0 GFADRO COC(=O)c1cc(Br)cc(C(=O)NCC[C@H]2CCC[N@H+](C)C2)c1 ZINC000458207402 564693715 /nfs/dbraw/zinc/69/37/15/564693715.db2.gz NCVFSKOYGRZWAM-GFCCVEGCSA-N 1 0 383.286 2.697 20 0 GFADRO O=C(NCc1ccc(Br)cc1)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000525178001 564693784 /nfs/dbraw/zinc/69/37/84/564693784.db2.gz FJMYROFXTGWETJ-LJQANCHMSA-N 1 0 389.293 2.702 20 0 GFADRO CC[NH+](CC)CCCNC(=O)C(=O)N[C@@H](C)Cc1ccc(Cl)cc1Cl ZINC000552523512 564693968 /nfs/dbraw/zinc/69/39/68/564693968.db2.gz JVBBIGLVMTZUKF-ZDUSSCGKSA-N 1 0 388.339 2.889 20 0 GFADRO COCCN(Cc1sccc1Br)C(=O)[C@H]1C[N@H+](C)C[C@@H]1C ZINC000487706866 564695155 /nfs/dbraw/zinc/69/51/55/564695155.db2.gz ICGYUPHLIPBECL-RYUDHWBXSA-N 1 0 375.332 2.683 20 0 GFADRO C[C@@H](CNC(=O)NC[C@@H]1CCC[N@H+](C)C1)Oc1cccc(Br)c1 ZINC000525305442 564698578 /nfs/dbraw/zinc/69/85/78/564698578.db2.gz BDTUBIVKBLMTPU-KBPBESRZSA-N 1 0 384.318 2.857 20 0 GFADRO Ic1ccccc1[C@@H]1CCC[N@@H+]1CCN1CCOCC1 ZINC000525409108 564700590 /nfs/dbraw/zinc/70/05/90/564700590.db2.gz SFGXHXYDNSRFQN-INIZCTEOSA-N 1 0 386.277 2.760 20 0 GFADRO C[NH+](C)CCOC1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000525601106 564703759 /nfs/dbraw/zinc/70/37/59/564703759.db2.gz MSFXJKXBZGAGDB-UHFFFAOYSA-N 1 0 381.325 2.725 20 0 GFADRO C[C@H](CNC(=O)CSc1nnc(-c2cccs2)n1C1CC1)C[NH+](C)C ZINC000552886534 564704155 /nfs/dbraw/zinc/70/41/55/564704155.db2.gz QCPJNFBZBPATQC-GFCCVEGCSA-N 1 0 379.555 2.748 20 0 GFADRO OCC[N@@H+](Cc1cccc(Br)c1)C[C@H](O)COCc1ccccc1 ZINC000488173665 564705131 /nfs/dbraw/zinc/70/51/31/564705131.db2.gz FBWCAINJZCASAF-IBGZPJMESA-N 1 0 394.309 2.821 20 0 GFADRO COc1ccc(S(=O)(=O)N2CC[C@H]([NH+]3CCCC3)C2)c(Cl)c1Cl ZINC000525689092 564705755 /nfs/dbraw/zinc/70/57/55/564705755.db2.gz OCXOFZNEMWSGCU-NSHDSACASA-N 1 0 379.309 2.861 20 0 GFADRO CN1CCO[C@@H]([C@@H](NC(=O)N2C[C@@H]3C[C@H]2CS3)c2ccc(Cl)cc2)C1 ZINC000458594300 564706934 /nfs/dbraw/zinc/70/69/34/564706934.db2.gz BHKDLXFGSYBUDJ-NXOAAHMSSA-N 1 0 381.929 2.611 20 0 GFADRO CC[C@H](NC(=O)N[C@@H]1CCN(C)[C@H]1c1ccc(Cl)cc1)[C@@H](O)C(F)F ZINC000458595457 564707030 /nfs/dbraw/zinc/70/70/30/564707030.db2.gz RMLNWPYUIIEPFD-LJISPDSOSA-N 1 0 375.847 2.789 20 0 GFADRO Cc1cccc(I)c1C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000576219741 564708374 /nfs/dbraw/zinc/70/83/74/564708374.db2.gz IMKHILVSOSSCCT-SCRDCRAPSA-N 1 0 384.261 2.799 20 0 GFADRO CCCN(C(=O)c1cn(-c2ccc(Br)cc2)cn1)[C@H]1CC[NH2+]C1 ZINC000576458333 564713422 /nfs/dbraw/zinc/71/34/22/564713422.db2.gz SYJLCXAJZAPCFX-HNNXBMFYSA-N 1 0 377.286 2.849 20 0 GFADRO COc1cccc(OC(F)(F)F)c1CNC(=O)C[N@H+](C)[C@@H]1CCSC1 ZINC000553241795 564713911 /nfs/dbraw/zinc/71/39/11/564713911.db2.gz UHGLLFFLSIEMED-LLVKDONJSA-N 1 0 378.416 2.647 20 0 GFADRO COC[C@](C)(O)C[NH2+][C@@H](C)CCc1ccc(I)cc1 ZINC000525985967 564715326 /nfs/dbraw/zinc/71/53/26/564715326.db2.gz SHWUHTOVHZDJLS-SWLSCSKDSA-N 1 0 377.266 2.599 20 0 GFADRO O=C(NCC(F)(F)c1ccc(Cl)cc1)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000458742222 564716154 /nfs/dbraw/zinc/71/61/54/564716154.db2.gz AWEXQCDONUZJQN-OAHLLOKOSA-N 1 0 375.847 2.578 20 0 GFADRO CCc1nnc(CNC(=O)NC[C@@H](c2ccc(SC)cc2)[NH+](C)C)s1 ZINC000458793627 564718614 /nfs/dbraw/zinc/71/86/14/564718614.db2.gz VDCILAUGHRDGOP-AWEZNQCLSA-N 1 0 379.555 2.925 20 0 GFADRO C[C@@H]1CN(c2cc(Br)cc(F)c2C(N)=O)CC[N@@H+](C2CCC2)C1 ZINC000488730224 564719350 /nfs/dbraw/zinc/71/93/50/564719350.db2.gz KCKIRUPBZVAUFD-NSHDSACASA-N 1 0 384.293 2.998 20 0 GFADRO Cc1nccc(NC(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)c1Br ZINC000526097888 564720047 /nfs/dbraw/zinc/72/00/47/564720047.db2.gz YHCLPACEVBPSLT-CQSZACIVSA-N 1 0 381.318 2.770 20 0 GFADRO CO[C@H](CNC(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1)C1CC1 ZINC000458851590 564720557 /nfs/dbraw/zinc/72/05/57/564720557.db2.gz KCSMJVZLLWSUMS-QGZVFWFLSA-N 1 0 398.345 2.947 20 0 GFADRO C[C@@H](C[N@@H+]1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1)c1cccc(Cl)c1 ZINC000526113118 564720981 /nfs/dbraw/zinc/72/09/81/564720981.db2.gz KIZDKZUXFGRKGD-MAUKXSAKSA-N 1 0 386.945 2.570 20 0 GFADRO C[N@@H+]1CC[C@@H](C(=O)N2CCN(c3ccc(C(F)(F)F)cc3Cl)CC2)C1 ZINC000553543848 564726205 /nfs/dbraw/zinc/72/62/05/564726205.db2.gz GUIBFCODBRRVSX-GFCCVEGCSA-N 1 0 375.822 2.959 20 0 GFADRO CCCC[N@H+](C)CCNC(=O)N[C@H](CO)c1ccc(Br)c(F)c1 ZINC000488988679 564726573 /nfs/dbraw/zinc/72/65/73/564726573.db2.gz VKHKFRIMNGGEQM-OAHLLOKOSA-N 1 0 390.297 2.653 20 0 GFADRO O=C(NCCCCC[NH+]1CCCCC1)NCCn1cc(Br)cn1 ZINC000553560251 564726917 /nfs/dbraw/zinc/72/69/17/564726917.db2.gz WZXNTDHHWURJAR-UHFFFAOYSA-N 1 0 386.338 2.601 20 0 GFADRO C[NH+](C)CCCNS(=O)(=O)c1cc(Br)cc(C(F)(F)F)c1 ZINC000489015518 564727115 /nfs/dbraw/zinc/72/71/15/564727115.db2.gz SMONJFHNRHGQQS-UHFFFAOYSA-N 1 0 389.237 2.698 20 0 GFADRO CC(C)CN(CC[NH+](C)C)C(=O)Cc1ccc(I)cc1 ZINC000489041110 564727389 /nfs/dbraw/zinc/72/73/89/564727389.db2.gz NTDUYVKGTOVVJZ-UHFFFAOYSA-N 1 0 388.293 2.880 20 0 GFADRO C[C@H](O)C[N@@H+]1CCN(C(=O)NC/C=C/c2ccc(Br)cc2)C[C@@H]1C ZINC000458984574 564727608 /nfs/dbraw/zinc/72/76/08/564727608.db2.gz VMFFPJSIFYEPDG-WCYDHSITSA-N 1 0 396.329 2.559 20 0 GFADRO C[NH+](C)CCCNS(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCCCO1 ZINC000489057831 564728465 /nfs/dbraw/zinc/72/84/65/564728465.db2.gz KIZHGYSBCKTILB-HNNXBMFYSA-N 1 0 390.933 2.518 20 0 GFADRO CCCNS(=O)(=O)NC[C@H](c1ccccc1)N1CCc2sccc2C1 ZINC000489112318 564729600 /nfs/dbraw/zinc/72/96/00/564729600.db2.gz BWWSKTHDOLTJFJ-QGZVFWFLSA-N 1 0 379.551 2.682 20 0 GFADRO CCOC(=O)c1cc(Cl)cc(S(=O)(=O)NC[C@@H]2CCC[N@H+](CC)C2)c1 ZINC000489214633 564732181 /nfs/dbraw/zinc/73/21/81/564732181.db2.gz DQKGQICEPFQXEU-ZDUSSCGKSA-N 1 0 388.917 2.527 20 0 GFADRO C[C@H]1[C@H](NC(=O)NCc2n[nH]cc2Br)CC[N@@H+]1Cc1ccccc1 ZINC000577312245 564733830 /nfs/dbraw/zinc/73/38/30/564733830.db2.gz OLCIZCMHSCOFLZ-SWLSCSKDSA-N 1 0 392.301 2.634 20 0 GFADRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NCC(=O)Nc1cc(Cl)ccc1Cl ZINC000527224816 564734259 /nfs/dbraw/zinc/73/42/59/564734259.db2.gz UZPNNYNBVIDDBD-BMIGLBTASA-N 1 0 385.295 2.714 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)NCc2cn3cc(Br)ccc3n2)C1 ZINC000489314242 564735294 /nfs/dbraw/zinc/73/52/94/564735294.db2.gz AWKAYWYAUNHORW-DZGCQCFKSA-N 1 0 394.317 2.769 20 0 GFADRO CC(C)[C@H]1CN(C(=O)c2ccc(F)cc2I)CC[N@@H+]1C ZINC000489329388 564735769 /nfs/dbraw/zinc/73/57/69/564735769.db2.gz MNFDCQIWMLKHNL-CQSZACIVSA-N 1 0 390.240 2.843 20 0 GFADRO CC1CC[NH+](CCNS(=O)(=O)Cc2ccccc2Br)CC1 ZINC000553785719 564735796 /nfs/dbraw/zinc/73/57/96/564735796.db2.gz CNDBNMMGYKGILH-UHFFFAOYSA-N 1 0 375.332 2.600 20 0 GFADRO CC(C)[NH+]1CCC(C(=O)N[C@H](CO)c2ccc(Br)c(F)c2)CC1 ZINC000553796529 564736900 /nfs/dbraw/zinc/73/69/00/564736900.db2.gz SBVBUUWZQJSMLM-MRXNPFEDSA-N 1 0 387.293 2.858 20 0 GFADRO C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000553796351 564736964 /nfs/dbraw/zinc/73/69/64/564736964.db2.gz NSYLLWQXSLYILX-SGTLLEGYSA-N 1 0 384.307 2.666 20 0 GFADRO O[C@H](C[NH2+]CCc1ccc(Br)cc1Cl)COC1CCOCC1 ZINC000577602567 564737388 /nfs/dbraw/zinc/73/73/88/564737388.db2.gz FSDHFDNENATESZ-CQSZACIVSA-N 1 0 392.721 2.791 20 0 GFADRO COCC[N@H+](C[C@H](O)COc1c(Cl)cccc1Cl)[C@@H]1CCO[C@@H]1C ZINC000489403273 564738763 /nfs/dbraw/zinc/73/87/63/564738763.db2.gz KWBVZRHUQRYHBC-DVOMOZLQSA-N 1 0 378.296 2.859 20 0 GFADRO Cn1cc(N2CC[C@@H]([NH2+][C@@H]3CCCc4cc(Br)ccc43)C2=O)cn1 ZINC000527316261 564739173 /nfs/dbraw/zinc/73/91/73/564739173.db2.gz DDDVDINPLINFPA-IAGOWNOFSA-N 1 0 389.297 2.955 20 0 GFADRO CCC(CC)(C[NH2+]Cc1cn(CC(N)=O)nn1)c1ccc(Cl)c(Cl)c1 ZINC000459401198 564742742 /nfs/dbraw/zinc/74/27/42/564742742.db2.gz INBMEBDNFDMIRX-UHFFFAOYSA-N 1 0 384.311 2.918 20 0 GFADRO C[C@@H](C[NH+](C)C)NS(=O)(=O)c1ccc(Br)cc1C(F)(F)F ZINC000553885391 564743331 /nfs/dbraw/zinc/74/33/31/564743331.db2.gz BPRRCYZPFDPGEK-QMMMGPOBSA-N 1 0 389.237 2.696 20 0 GFADRO CC[C@H](Cc1ccccc1Br)[N@H+](C)CCN1C(=O)N[C@H](C)C1=O ZINC000459411587 564743580 /nfs/dbraw/zinc/74/35/80/564743580.db2.gz QFKWZEUNWYQUJN-TZMCWYRMSA-N 1 0 382.302 2.642 20 0 GFADRO CCS(=O)(=O)N1CCC(C[NH2+]Cc2c(F)cccc2Br)CC1 ZINC000527526108 564744795 /nfs/dbraw/zinc/74/47/95/564744795.db2.gz FYGXIXXNGDVAIW-UHFFFAOYSA-N 1 0 393.322 2.740 20 0 GFADRO CCOc1cc(C[NH2+][C@@H](C)CCN2CCOCC2)cc(Br)c1O ZINC000459478293 564745759 /nfs/dbraw/zinc/74/57/59/564745759.db2.gz MYBVSBLYWIKZKV-ZDUSSCGKSA-N 1 0 387.318 2.754 20 0 GFADRO CCOc1cc(C[NH2+]CCNS(=O)(=O)c2cc(C)sc2C)ccc1O ZINC000459455960 564745882 /nfs/dbraw/zinc/74/58/82/564745882.db2.gz WKJHDMASBWBDKJ-UHFFFAOYSA-N 1 0 384.523 2.537 20 0 GFADRO Oc1cccc(CNC[C@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)c1Br ZINC000459463974 564745944 /nfs/dbraw/zinc/74/59/44/564745944.db2.gz WIGDTPBAZNTEQV-SJORKVTESA-N 1 0 391.309 2.880 20 0 GFADRO CC(=O)NCC[C@@H]1CCC[N@H+](C[C@@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000553960771 564746151 /nfs/dbraw/zinc/74/61/51/564746151.db2.gz KOLYMSNUXHWPER-GOEBONIOSA-N 1 0 389.323 2.971 20 0 GFADRO C[N@@H+]1CCC[C@H](CNC(=O)N2CCSC[C@@H]2CCO)[C@H]1c1cccs1 ZINC000579626408 564749312 /nfs/dbraw/zinc/74/93/12/564749312.db2.gz WWCYAYNMBRLSJE-VYDXJSESSA-N 1 0 383.583 2.640 20 0 GFADRO COCc1cc(C[NH2+]C[C@H](CO)Cc2ccc(F)c(Br)c2)no1 ZINC000459562892 564750610 /nfs/dbraw/zinc/75/06/10/564750610.db2.gz DFOZDCKJKOCBIJ-GFCCVEGCSA-N 1 0 387.249 2.663 20 0 GFADRO CN(C)S(=O)(=O)NCC[NH2+][C@H]1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000459543194 564750654 /nfs/dbraw/zinc/75/06/54/564750654.db2.gz XKQVXELJEWRGFC-DOMZBBRYSA-N 1 0 380.341 2.615 20 0 GFADRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1cc2c(c(Br)c1)OCO2 ZINC000554112761 564750912 /nfs/dbraw/zinc/75/09/12/564750912.db2.gz SQINGNNYQYYSHN-FZMZJTMJSA-N 1 0 381.270 2.877 20 0 GFADRO COc1ccc(C[C@@H](CO)C[NH2+]C2CCN(C3CC3)CC2)cc1Br ZINC000459565086 564751725 /nfs/dbraw/zinc/75/17/25/564751725.db2.gz FUOCFDQWHSSPFT-OAHLLOKOSA-N 1 0 397.357 2.825 20 0 GFADRO CN(C)[C@H](C(=O)N1CCc2ccc(F)c(Br)c2C1)c1cncn1C ZINC000527628797 564752077 /nfs/dbraw/zinc/75/20/77/564752077.db2.gz RSBKFHHLHGFSBT-INIZCTEOSA-N 1 0 395.276 2.509 20 0 GFADRO O=C(CCCCN1CCOCC1)N1CCc2ccc(F)c(Br)c2C1 ZINC000527628762 564752366 /nfs/dbraw/zinc/75/23/66/564752366.db2.gz UPEYXHQAGOKARF-UHFFFAOYSA-N 1 0 399.304 2.975 20 0 GFADRO Cn1ncc(CCC[NH2+]Cc2c[nH]nc2-c2ccc(Br)s2)n1 ZINC000527714326 564757473 /nfs/dbraw/zinc/75/74/73/564757473.db2.gz YRJSYYSEVNDAGC-UHFFFAOYSA-N 1 0 381.303 2.752 20 0 GFADRO CCN(CCOc1ccc(Br)cc1)C(=O)NCC1CC[NH2+]CC1 ZINC000580412991 564757503 /nfs/dbraw/zinc/75/75/03/564757503.db2.gz NIDOJGOVUOLHTC-UHFFFAOYSA-N 1 0 384.318 2.859 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)c(C)c1C[N@@H+]1CCC[C@](O)(CO)C1 ZINC000459697429 564757571 /nfs/dbraw/zinc/75/75/71/564757571.db2.gz DSQKYRLHDJQVKA-GOSISDBHSA-N 1 0 394.313 2.571 20 0 GFADRO O[C@@H](C[NH2+]Cc1ccc(-c2cccc(Br)c2)s1)Cn1ccnn1 ZINC000459709547 564757816 /nfs/dbraw/zinc/75/78/16/564757816.db2.gz XYKNYDKMRZRAHZ-AWEZNQCLSA-N 1 0 393.310 2.920 20 0 GFADRO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCN(Cc2ccc(Br)s2)CC1 ZINC000580439041 564758075 /nfs/dbraw/zinc/75/80/75/564758075.db2.gz OHSCLRSOTLZLLI-KBPBESRZSA-N 1 0 386.359 2.543 20 0 GFADRO Cc1cc(Br)cc(C)c1S(=O)(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000489989726 564759607 /nfs/dbraw/zinc/75/96/07/564759607.db2.gz PJMNPUOGKRQLMO-INIZCTEOSA-N 1 0 387.343 2.830 20 0 GFADRO C[C@@H]1C[NH+](CCCCNc2ncccc2I)C[C@@H](C)O1 ZINC000490139402 564764668 /nfs/dbraw/zinc/76/46/68/564764668.db2.gz KMANFAIIJXWTSU-CHWSQXEVSA-N 1 0 389.281 2.988 20 0 GFADRO C[C@@H]1[C@H](C)[NH2+]CCN1S(=O)(=O)Cc1cc(Cl)ccc1Br ZINC000580564068 564764916 /nfs/dbraw/zinc/76/49/16/564764916.db2.gz KSJBCDNKPFHGFL-VHSXEESVSA-N 1 0 381.723 2.615 20 0 GFADRO C[C@H]([NH2+]C[C@@]1(CO)COCC2(CCC2)N1C)c1ccccc1Br ZINC000527953712 564765356 /nfs/dbraw/zinc/76/53/56/564765356.db2.gz XZPFBFIFEMRLNM-KBXCAEBGSA-N 1 0 383.330 2.716 20 0 GFADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]Cc1ccc2cn(C)nc2c1 ZINC000527963205 564766512 /nfs/dbraw/zinc/76/65/12/564766512.db2.gz QKDAATNFJGYVAW-GFCCVEGCSA-N 1 0 375.270 2.676 20 0 GFADRO CCCCN(C)C(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000460057659 564768771 /nfs/dbraw/zinc/76/87/71/564768771.db2.gz QAEGIUUBORJLEY-UHFFFAOYSA-N 1 0 398.345 2.598 20 0 GFADRO C[C@]1(CNC(=O)N[C@H]2CCN(c3ccccc3Br)C2)CCC[NH2+]C1 ZINC000580703951 564770317 /nfs/dbraw/zinc/77/03/17/564770317.db2.gz WLBWUEKYRREZET-KSSFIOAISA-N 1 0 395.345 2.717 20 0 GFADRO C[C@H]1CN(S(=O)(=O)c2ccccc2Br)CC[N@@H+](C2CCC2)C1 ZINC000490446565 564771763 /nfs/dbraw/zinc/77/17/63/564771763.db2.gz QGKQRDUIUWXKPJ-CYBMUJFWSA-N 1 0 387.343 2.944 20 0 GFADRO CCn1c(-c2cc(Br)cn2C)nnc1N1C[C@@H](C)[N@H+](CC)C[C@@H]1C ZINC000460241560 564772302 /nfs/dbraw/zinc/77/23/02/564772302.db2.gz ZIEZBQSHHIDJRZ-OLZOCXBDSA-N 1 0 395.349 2.985 20 0 GFADRO CCn1c(-c2cc(Br)cn2C)nnc1N1C[C@H](C)[N@H+](CC)C[C@@H]1C ZINC000460241562 564772365 /nfs/dbraw/zinc/77/23/65/564772365.db2.gz ZIEZBQSHHIDJRZ-STQMWFEESA-N 1 0 395.349 2.985 20 0 GFADRO [NH3+]CC[C@@H]1CCCCN1C(=O)[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000580775424 564773499 /nfs/dbraw/zinc/77/34/99/564773499.db2.gz VMPKDTDWNPMOKL-GOEBONIOSA-N 1 0 394.313 2.532 20 0 GFADRO CS[C@@H]1CN([C@H]2CCN(c3cccc(Cl)c3)C2=O)C[C@H]1[NH+]1CCCC1 ZINC000460350000 564773879 /nfs/dbraw/zinc/77/38/79/564773879.db2.gz JIDPSFNZBHZMAT-RCCFBDPRSA-N 1 0 379.957 2.957 20 0 GFADRO CS[C@@H]1CN([C@@H]2CCN(c3cccc(Cl)c3)C2=O)C[C@H]1[NH+]1CCCC1 ZINC000460349998 564774105 /nfs/dbraw/zinc/77/41/05/564774105.db2.gz JIDPSFNZBHZMAT-KZNAEPCWSA-N 1 0 379.957 2.957 20 0 GFADRO C[C@H](NS(=O)(=O)c1ccc(C[NH+](C)C)cc1)[C@@H]1OCCc2sccc21 ZINC000490502513 564774147 /nfs/dbraw/zinc/77/41/47/564774147.db2.gz YWWRRBCHFAGXHH-UGSOOPFHSA-N 1 0 380.535 2.791 20 0 GFADRO CC1(C)NC(=O)CC[C@@H]1[NH2+]Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000554936371 564778391 /nfs/dbraw/zinc/77/83/91/564778391.db2.gz PIYNXUFHVHIWGQ-HNNXBMFYSA-N 1 0 377.286 2.782 20 0 GFADRO CC(=O)Nc1ccc(C[NH2+]C[C@H](O)COc2c(Cl)cccc2Cl)cn1 ZINC000580888350 564778539 /nfs/dbraw/zinc/77/85/39/564778539.db2.gz KKNBBGLVSXQTNZ-ZDUSSCGKSA-N 1 0 384.263 2.876 20 0 GFADRO COCCC[NH+]1CCC(NC(=O)Cc2cccc(C)c2Br)CC1 ZINC000528366773 564780208 /nfs/dbraw/zinc/78/02/08/564780208.db2.gz IVWSVSVGCVRKQS-UHFFFAOYSA-N 1 0 383.330 2.917 20 0 GFADRO CS(=O)(=O)[C@H]1CCC[C@H]([NH2+]Cc2cn3ccc(Br)cc3n2)C1 ZINC000554972286 564780413 /nfs/dbraw/zinc/78/04/13/564780413.db2.gz IWJGEUYSTDLVHI-JSGCOSHPSA-N 1 0 386.315 2.542 20 0 GFADRO C[C@H]1CCc2ccc(Br)cc2[C@H]([NH2+]CCS(=O)(=O)N(C)C)C1 ZINC000555005346 564780805 /nfs/dbraw/zinc/78/08/05/564780805.db2.gz MEJVERLQJPOMID-BLLLJJGKSA-N 1 0 389.359 2.944 20 0 GFADRO CCn1c(-c2cc(Br)cn2C)nnc1N1CC[NH+](CC(C)C)CC1 ZINC000555016404 564780813 /nfs/dbraw/zinc/78/08/13/564780813.db2.gz ZNEDIQMVBAEIGK-UHFFFAOYSA-N 1 0 395.349 2.844 20 0 GFADRO COC(=O)[C@@H]1C[N@H+](Cc2snnc2C)C[C@H]1c1ccc(Br)cc1 ZINC000580957466 564781167 /nfs/dbraw/zinc/78/11/67/564781167.db2.gz OJQHDXPZEXQNLZ-UONOGXRCSA-N 1 0 396.310 2.998 20 0 GFADRO C[N@H+](C[C@@H](O)CNCc1cc(Br)ccc1Br)C1CC1 ZINC000580948146 564781340 /nfs/dbraw/zinc/78/13/40/564781340.db2.gz CQPBKIZTMFMUEH-ZDUSSCGKSA-N 1 0 392.135 2.756 20 0 GFADRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)Nc1ccn(-c2ccc(Br)cc2)n1 ZINC000581005214 564784214 /nfs/dbraw/zinc/78/42/14/564784214.db2.gz SYSLEMKMLZMYGN-OAHLLOKOSA-N 1 0 392.301 2.615 20 0 GFADRO CCOC(=O)[C@](C)(O)CNc1c(C)c(C)[nH+]c2ccc(Br)cc21 ZINC000555135000 564784477 /nfs/dbraw/zinc/78/44/77/564784477.db2.gz DIRBVGSRSXAPNS-QGZVFWFLSA-N 1 0 381.270 2.762 20 0 GFADRO C[NH+](C)CCOc1cnccc1CNC(=O)c1ccc(Br)s1 ZINC000581036385 564785070 /nfs/dbraw/zinc/78/50/70/564785070.db2.gz HOFXYYCAMBAIPK-UHFFFAOYSA-N 1 0 384.299 2.776 20 0 GFADRO CSC1(CNC(=O)C(=O)c2ccc(Br)cc2)CC[NH+](C)CC1 ZINC000460980032 564786545 /nfs/dbraw/zinc/78/65/45/564786545.db2.gz NHAIKABDNMEXLI-UHFFFAOYSA-N 1 0 385.327 2.575 20 0 GFADRO [NH3+]CC[C@H](NC(=O)[C@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1)C(F)F ZINC000581071186 564787072 /nfs/dbraw/zinc/78/70/72/564787072.db2.gz IODKNBLZKYBMPL-QWHCGFSZSA-N 1 0 394.249 2.697 20 0 GFADRO C[C@H]1C[C@H](C[N@@H+]2CCCN(S(=O)(=O)c3ccc(Cl)s3)CC2)CCO1 ZINC000491115072 564787302 /nfs/dbraw/zinc/78/73/02/564787302.db2.gz XQINACXIKPKQGQ-UONOGXRCSA-N 1 0 392.974 2.913 20 0 GFADRO O=S(=O)(NC[C@H]1CC[N@@H+]1C1CCCCC1)c1c[nH]c2nccc(Cl)c12 ZINC000528470574 564788159 /nfs/dbraw/zinc/78/81/59/564788159.db2.gz APKSEFCVQZVFSS-CYBMUJFWSA-N 1 0 382.917 2.902 20 0 GFADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000528502602 564789253 /nfs/dbraw/zinc/78/92/53/564789253.db2.gz CERCIDGPLNDALT-UHFFFAOYSA-N 1 0 386.323 2.595 20 0 GFADRO COC[C@]1(CNC(=O)Nc2cc3c(cc2Br)CCC3)CCC[NH2+]1 ZINC000581179097 564791614 /nfs/dbraw/zinc/79/16/14/564791614.db2.gz HMGJBWVNRBMFOS-QGZVFWFLSA-N 1 0 382.302 2.828 20 0 GFADRO COCC[NH2+]C1CCN(C(=O)Nc2cc(OC)ccc2Br)CC1 ZINC000581196794 564792253 /nfs/dbraw/zinc/79/22/53/564792253.db2.gz QLFWXZWLGQRTBM-UHFFFAOYSA-N 1 0 386.290 2.690 20 0 GFADRO COc1cc([C@@H](C)[NH2+]C[C@H](O)COc2ccccc2Br)ccn1 ZINC000581200657 564792585 /nfs/dbraw/zinc/79/25/85/564792585.db2.gz QWLUSOOXYBVAQG-OCCSQVGLSA-N 1 0 381.270 2.943 20 0 GFADRO CC[NH+](CC)CCS(=O)(=O)NCCc1ccc(Br)cc1Cl ZINC000555454803 564794310 /nfs/dbraw/zinc/79/43/10/564794310.db2.gz KTTYRWFZUQWEEP-UHFFFAOYSA-N 1 0 397.766 2.906 20 0 GFADRO C[NH+](C)C1(CNS(=O)(=O)c2ccc(OCC(F)(F)F)cc2)CCCC1 ZINC000491876924 564796375 /nfs/dbraw/zinc/79/63/75/564796375.db2.gz XSQQGVBISWXDKK-UHFFFAOYSA-N 1 0 380.432 2.780 20 0 GFADRO CC[NH+]1CCC(NC(=O)CN2CC3(CC3)c3ccc(Br)cc32)CC1 ZINC000528648946 564798931 /nfs/dbraw/zinc/79/89/31/564798931.db2.gz FBKKSYFTNBTIAK-UHFFFAOYSA-N 1 0 392.341 2.901 20 0 GFADRO CC(C)Oc1cc(Br)cc(NC(=O)NC2(C[NH3+])CCOCC2)c1 ZINC000528681728 564799377 /nfs/dbraw/zinc/79/93/77/564799377.db2.gz KDHLTXULIKMQLS-UHFFFAOYSA-N 1 0 386.290 2.866 20 0 GFADRO CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1conc1C(C)(C)[NH3+] ZINC000581380184 564800097 /nfs/dbraw/zinc/80/00/97/564800097.db2.gz KYRQOHHQKKBOEA-UHFFFAOYSA-N 1 0 385.251 2.886 20 0 GFADRO O=C(NC[C@H]1COCC[NH2+]1)Nc1ccc(C(F)(F)F)cc1Br ZINC000528686319 564800471 /nfs/dbraw/zinc/80/04/71/564800471.db2.gz MPZAENJMAJFTPB-VIFPVBQESA-N 1 0 382.180 2.578 20 0 GFADRO COCCCOc1ccc(Cl)cc1S(=O)(=O)NC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000581428821 564802573 /nfs/dbraw/zinc/80/25/73/564802573.db2.gz GOWARRWHRSZUMN-DZGCQCFKSA-N 1 0 390.933 2.551 20 0 GFADRO CN(Cc1c(Cl)cccc1Cl)C(=O)C(=O)NCCC[NH+]1CCCCC1 ZINC000555754562 564804325 /nfs/dbraw/zinc/80/43/25/564804325.db2.gz FBFDHHNDGHMYER-UHFFFAOYSA-N 1 0 386.323 2.944 20 0 GFADRO COC(=O)C[C@@H](NC(=O)C[N@H+](C)[C@H]1CCSC1)c1ccc(Cl)c(F)c1 ZINC000492851918 564804492 /nfs/dbraw/zinc/80/44/92/564804492.db2.gz VGUPUKIOQULRJH-SWLSCSKDSA-N 1 0 388.892 2.637 20 0 GFADRO C[C@H](c1ccccc1Br)N(C)C(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000581546794 564807232 /nfs/dbraw/zinc/80/72/32/564807232.db2.gz ICYSEZWDSMUQII-CHWSQXEVSA-N 1 0 392.301 2.626 20 0 GFADRO C[C@H](c1ccccc1Br)N(C)C(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000581546795 564807363 /nfs/dbraw/zinc/80/73/63/564807363.db2.gz ICYSEZWDSMUQII-OLZOCXBDSA-N 1 0 392.301 2.626 20 0 GFADRO COC(=O)c1cc(Br)cc(C(=O)N[C@@H](C)C[NH+]2CCCCC2)c1 ZINC000461896239 564807527 /nfs/dbraw/zinc/80/75/27/564807527.db2.gz UIIVZEBWAKYINP-LBPRGKRZSA-N 1 0 383.286 2.840 20 0 GFADRO O=C(CC[NH2+]C[C@@H](CO)Cc1ccc(Br)cc1)Nc1cccnc1 ZINC000581607452 564809650 /nfs/dbraw/zinc/80/96/50/564809650.db2.gz DCZDLBPPQHYWKM-HNNXBMFYSA-N 1 0 392.297 2.614 20 0 GFADRO COC[C@]1(CNC(=O)CCC(=O)c2cc(Cl)sc2Cl)CCC[NH2+]1 ZINC000581606835 564809907 /nfs/dbraw/zinc/80/99/07/564809907.db2.gz MBHJYGWMLLITFN-OAHLLOKOSA-N 1 0 379.309 2.903 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCC[C@@]1(C)CO)C(=O)N(C)Cc1ccc(Br)cc1 ZINC000493657987 564810036 /nfs/dbraw/zinc/81/00/36/564810036.db2.gz NPWYWPCFOCWQET-XCRHUMRWSA-N 1 0 383.330 2.937 20 0 GFADRO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCCCNC(=O)c1cccc(Br)c1 ZINC000461971151 564810302 /nfs/dbraw/zinc/81/03/02/564810302.db2.gz LKVSIHHXMPHTPJ-ZIAGYGMSSA-N 1 0 396.329 2.558 20 0 GFADRO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)Nc1ncn(Cc2cccc(Br)c2)n1 ZINC000461977625 564810346 /nfs/dbraw/zinc/81/03/46/564810346.db2.gz CEMVDCAYKPGUPG-BETUJISGSA-N 1 0 392.301 2.900 20 0 GFADRO O=C(NCc1cc(Br)ccc1Br)[C@H]1CCCC[NH2+]1 ZINC000581727314 564816223 /nfs/dbraw/zinc/81/62/23/564816223.db2.gz ZKIBKTMWUNLGJF-GFCCVEGCSA-N 1 0 376.092 2.970 20 0 GFADRO C[C@@H](NS(=O)(=O)CCc1ccccc1Br)C(C)(C)C[NH+](C)C ZINC000462097259 564818605 /nfs/dbraw/zinc/81/86/05/564818605.db2.gz JNNACLHPOLHYQZ-CYBMUJFWSA-N 1 0 391.375 2.887 20 0 GFADRO Cc1cccc(CC(=O)N2CC[N@@H+](CC(C)(C)O)C[C@H]2C)c1Br ZINC000529116686 564821178 /nfs/dbraw/zinc/82/11/78/564821178.db2.gz JWGROIMDEHRIOQ-CQSZACIVSA-N 1 0 383.330 2.604 20 0 GFADRO C[C@@H]1CCCN1C(=O)CC[N@H+](CCO)Cc1cc(Br)cs1 ZINC000494277058 564821323 /nfs/dbraw/zinc/82/13/23/564821323.db2.gz NVESZWAKNXXLPP-GFCCVEGCSA-N 1 0 375.332 2.706 20 0 GFADRO Cc1csc(C(=O)N[C@H]2CCCC[C@@H]2C[NH3+])c1I ZINC000581879238 564821930 /nfs/dbraw/zinc/82/19/30/564821930.db2.gz YZEIQQSCESDYPN-ZJUUUORDSA-N 1 0 378.279 2.908 20 0 GFADRO CC[N@@H+]1CCCC[C@@H]1CNS(=O)(=O)c1ccc(C)c(Br)c1 ZINC000462132624 564822154 /nfs/dbraw/zinc/82/21/54/564822154.db2.gz RCEVWRPEWLFUGY-CYBMUJFWSA-N 1 0 375.332 2.910 20 0 GFADRO O=C(NCCOc1cccc(Br)c1)[C@]1(c2ccccc2)CC[NH2+]C1 ZINC000581983733 564825409 /nfs/dbraw/zinc/82/54/09/564825409.db2.gz LYYXLOIWXHSVJS-LJQANCHMSA-N 1 0 389.293 2.875 20 0 GFADRO C[C@@H](C[NH+]1CCOCC1)C(=O)NCc1cc(Cl)ccc1Br ZINC000582004814 564826640 /nfs/dbraw/zinc/82/66/40/564826640.db2.gz FHFPGRHLGXUUGN-NSHDSACASA-N 1 0 375.694 2.687 20 0 GFADRO [NH3+][C@H]1CCO[C@H](C2CCN(C(=O)COc3cccc(Br)c3)CC2)C1 ZINC000581997405 564826933 /nfs/dbraw/zinc/82/69/33/564826933.db2.gz IHVPWOSABUBWMY-RDJZCZTQSA-N 1 0 397.313 2.573 20 0 GFADRO CC[NH+]1CCC(NC(=O)N2CCN(c3cccc(Br)c3)CC2)CC1 ZINC000556455368 564827245 /nfs/dbraw/zinc/82/72/45/564827245.db2.gz XVDMKHXKDOGXIM-UHFFFAOYSA-N 1 0 395.345 2.765 20 0 GFADRO COC(=O)c1ccc(CNC[C@@H]2C[N@H+](CC(C)C)CCO2)c(Br)c1 ZINC000556595188 564830979 /nfs/dbraw/zinc/83/09/79/564830979.db2.gz CQJCIQWDJRRZMS-MRXNPFEDSA-N 1 0 399.329 2.682 20 0 GFADRO O=C(NC[C@@H]1COCC[NH2+]1)N1CCC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000529374235 564832330 /nfs/dbraw/zinc/83/23/30/564832330.db2.gz JCCJIDFUQSFMTH-OCCSQVGLSA-N 1 0 388.295 2.535 20 0 GFADRO Cc1cc(S(=O)(=O)NCC[NH2+][C@H]2CCc3ccccc3OC2)c(C)s1 ZINC000494633902 564836605 /nfs/dbraw/zinc/83/66/05/564836605.db2.gz GZOFSNMUQGGWRJ-INIZCTEOSA-N 1 0 380.535 2.627 20 0 GFADRO COc1cc(NC(=O)C[NH2+][C@@H](CO)c2sccc2C)c(OC)cc1Cl ZINC000494673327 564837346 /nfs/dbraw/zinc/83/73/46/564837346.db2.gz KVOLWDJMWNPOIA-ZDUSSCGKSA-N 1 0 384.885 2.989 20 0 GFADRO CC[C@H]1CN(Cc2ncc(Cl)cc2Br)CC[N@@H+]1C[C@@H](C)O ZINC000529528040 564839431 /nfs/dbraw/zinc/83/94/31/564839431.db2.gz FOGQYTRBFOHWQQ-YPMHNXCESA-N 1 0 376.726 2.775 20 0 GFADRO COCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](Cc2ccsc2Br)C1 ZINC000529526254 564839556 /nfs/dbraw/zinc/83/95/56/564839556.db2.gz KJPKWOMPVODASM-YPMHNXCESA-N 1 0 375.332 2.874 20 0 GFADRO O[C@@H](C[NH2+]C1CCN(C2CC2)CC1)COc1cc(F)cc(Br)c1 ZINC000582296601 564839541 /nfs/dbraw/zinc/83/95/41/564839541.db2.gz OVHIVDDCSAPCQX-INIZCTEOSA-N 1 0 387.293 2.544 20 0 GFADRO Cc1nccn1C[C@H](C)C[NH2+]C[C@@H](O)COc1cccc(Br)c1 ZINC000582355365 564842991 /nfs/dbraw/zinc/84/29/91/564842991.db2.gz IASHRHYMRSIXAC-CZUORRHYSA-N 1 0 382.302 2.620 20 0 GFADRO CC[N@H+](CCNC(=O)N[C@H]1CCN(c2cccc(Br)c2)C1)C1CC1 ZINC000494917565 564843492 /nfs/dbraw/zinc/84/34/92/564843492.db2.gz MOSIMJSZPVNOBT-HNNXBMFYSA-N 1 0 395.345 2.811 20 0 GFADRO CCOC(=O)c1cc2cc(S(=O)(=O)N3CC[C@@H]([NH3+])C[C@@H]3C)ccc2s1 ZINC000582367791 564844012 /nfs/dbraw/zinc/84/40/12/564844012.db2.gz DSBKIFCHWLDVSB-WCQYABFASA-N 1 0 382.507 2.578 20 0 GFADRO C[C@@]1(c2ccc(C[NH2+]Cc3sccc3Br)cc2)NC(=O)NC1=O ZINC000462527943 564845457 /nfs/dbraw/zinc/84/54/57/564845457.db2.gz VSRHVWNXFJUBGV-INIZCTEOSA-N 1 0 394.294 2.855 20 0 GFADRO CSC1(CNC(=O)N2CCSC[C@@H]2c2nccs2)CC[NH+](C)CC1 ZINC000462514535 564845501 /nfs/dbraw/zinc/84/55/01/564845501.db2.gz PZEWJKLAXKVYKM-CYBMUJFWSA-N 1 0 386.612 2.770 20 0 GFADRO COC(=O)c1cccc(NC(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)c1Br ZINC000495035667 564847072 /nfs/dbraw/zinc/84/70/72/564847072.db2.gz JSGQPNULJDYHGV-RYUDHWBXSA-N 1 0 396.285 2.984 20 0 GFADRO COC[C@@H](C)[C@@H](C)C(=O)NCCc1cn2cc(Br)cc(C)c2n1 ZINC000462553661 564847058 /nfs/dbraw/zinc/84/70/58/564847058.db2.gz PZWZDVPUIKZEKJ-CHWSQXEVSA-N 1 0 382.302 2.983 20 0 GFADRO CC[NH+](CC)CCS(=O)(=O)NCC1(c2cccc(Br)c2)CC1 ZINC000582455171 564847412 /nfs/dbraw/zinc/84/74/12/564847412.db2.gz HCUAKEIAHQDNLF-UHFFFAOYSA-N 1 0 389.359 2.742 20 0 GFADRO C[C@H](CC[NH+](C)C)NC(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000495154471 564849678 /nfs/dbraw/zinc/84/96/78/564849678.db2.gz CJXFJRRELVOUAI-UKRRQHHQSA-N 1 0 383.334 2.667 20 0 GFADRO C[C@H](CC[NH+](C)C)NC(=O)N[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000495154470 564849765 /nfs/dbraw/zinc/84/97/65/564849765.db2.gz CJXFJRRELVOUAI-HIFRSBDPSA-N 1 0 383.334 2.667 20 0 GFADRO O=C1N[C@H](CC(F)(F)F)C(=O)N1CC1([NH+]2CCSCC2)CCCCC1 ZINC000582523643 564850283 /nfs/dbraw/zinc/85/02/83/564850283.db2.gz NALLEMIOYOELJK-GFCCVEGCSA-N 1 0 379.448 2.611 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000495251878 564851483 /nfs/dbraw/zinc/85/14/83/564851483.db2.gz XAJPPUSZZZKZTO-DOTOQJQBSA-N 1 0 395.345 2.811 20 0 GFADRO CC(C)(C)[C@@H](CCO)[NH2+]CCS(=O)(=O)c1ccc(Br)cc1 ZINC000495428106 564853733 /nfs/dbraw/zinc/85/37/33/564853733.db2.gz VOLOWIMOMFEERO-CQSZACIVSA-N 1 0 378.332 2.610 20 0 GFADRO C[NH+](C)[C@H]1CN(C(=O)[C@H]2CCCO[C@H]2c2ccc(Cl)cc2Cl)C[C@@H]1O ZINC000582618264 564854644 /nfs/dbraw/zinc/85/46/44/564854644.db2.gz ZCLPDOVELVCMKD-HJWJTTGWSA-N 1 0 387.307 2.594 20 0 GFADRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1cccc(I)c1 ZINC000557117869 564855086 /nfs/dbraw/zinc/85/50/86/564855086.db2.gz KXWPAAPXYLNESH-DOMZBBRYSA-N 1 0 384.261 2.990 20 0 GFADRO O=C(NCCNc1ncc(C(F)(F)F)cc1Cl)NCC[C@H]1CCC[NH2+]1 ZINC000557131286 564855219 /nfs/dbraw/zinc/85/52/19/564855219.db2.gz MECHZSFICAGJOW-LLVKDONJSA-N 1 0 379.814 2.607 20 0 GFADRO CS[C@@H]1CN(C(=O)c2cc(F)c(F)cc2Br)C[C@@H]1[NH+](C)C ZINC000495683121 564855729 /nfs/dbraw/zinc/85/57/29/564855729.db2.gz WIAZILCYMMHQOF-QWHCGFSZSA-N 1 0 379.270 2.845 20 0 GFADRO CCS(=O)(=O)c1ccc(C[NH2+]CCC(=O)Nc2cc(F)cc(F)c2)s1 ZINC000582661071 564856534 /nfs/dbraw/zinc/85/65/34/564856534.db2.gz OQAUGJCCEZKZSK-UHFFFAOYSA-N 1 0 388.461 2.938 20 0 GFADRO C[C@H](CNC(=O)[C@@H](C)NC(=O)c1cccc(Cl)c1Cl)C[NH+]1CCCC1 ZINC000495775630 564856776 /nfs/dbraw/zinc/85/67/76/564856776.db2.gz UBAGWLJFTYCJKN-CHWSQXEVSA-N 1 0 386.323 2.960 20 0 GFADRO O=C(NC[C@H]1C[NH2+]CCCO1)N1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000557241161 564858381 /nfs/dbraw/zinc/85/83/81/564858381.db2.gz SUHCABSCLKQNHC-UONOGXRCSA-N 1 0 388.295 2.535 20 0 GFADRO C[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)N(C)CC[N@H+](C)C1CC1 ZINC000557241074 564858479 /nfs/dbraw/zinc/85/84/79/564858479.db2.gz TTXNBPUMPVVHSU-GFCCVEGCSA-N 1 0 386.323 2.593 20 0 GFADRO CC(C)OCC[NH+]1CCN(Cc2cc(Br)cc3c2OCC3)CC1 ZINC000462796305 564859173 /nfs/dbraw/zinc/85/91/73/564859173.db2.gz MTBWDNIOTUEJNR-UHFFFAOYSA-N 1 0 383.330 2.927 20 0 GFADRO O=C(NCc1cc(Br)cc2c1OCC2)[C@H](C1CC1)[NH+]1CCCC1 ZINC000462836198 564859810 /nfs/dbraw/zinc/85/98/10/564859810.db2.gz DEJRZFWUZGURMS-INIZCTEOSA-N 1 0 379.298 2.875 20 0 GFADRO O=C(NC[C@@H]1CC[N@@H+]1C1CCCC1)c1cc2c(c(Br)c1)OCO2 ZINC000530023859 564860299 /nfs/dbraw/zinc/86/02/99/564860299.db2.gz IQQZHCARWVTNGV-ZDUSSCGKSA-N 1 0 381.270 2.925 20 0 GFADRO CC[C@@H](CO)[N@H+](Cc1ccccc1)Cc1cc(Cl)cc(S(N)(=O)=O)c1 ZINC000582787982 564862498 /nfs/dbraw/zinc/86/24/98/564862498.db2.gz BHFPORHUDNYDLR-KRWDZBQOSA-N 1 0 382.913 2.761 20 0 GFADRO C[C@@H]([NH3+])C[C@H](C)NC(=O)NCc1ccc(I)c(Cl)c1 ZINC000582844240 564864217 /nfs/dbraw/zinc/86/42/17/564864217.db2.gz ZEBNWKBRTKYTTK-BDAKNGLRSA-N 1 0 395.672 2.870 20 0 GFADRO C[C@@H](CNc1c(Br)cccc1S(C)(=O)=O)C[NH+]1CCCC1 ZINC000557509826 564865078 /nfs/dbraw/zinc/86/50/78/564865078.db2.gz BTVCPOAMHCVJCJ-LBPRGKRZSA-N 1 0 375.332 2.996 20 0 GFADRO C[C@@H](NS(=O)(=O)c1ccc(Br)c(Cl)c1)[C@H]1CCC[NH2+]C1 ZINC000497355579 564865582 /nfs/dbraw/zinc/86/55/82/564865582.db2.gz YVOFHZBXJFTNAZ-ZJUUUORDSA-N 1 0 381.723 2.769 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CCCCN1S(=O)(=O)c1ccc(Br)c(Cl)c1 ZINC000497350333 564865750 /nfs/dbraw/zinc/86/57/50/564865750.db2.gz PRYVKMUYMLKYOS-NOZJJQNGSA-N 1 0 381.723 2.993 20 0 GFADRO CN(CC1CC[NH+](C)CC1)C(=O)NCc1cc(Br)cc2c1OCC2 ZINC000463015223 564867081 /nfs/dbraw/zinc/86/70/81/564867081.db2.gz RRLVSQXQAXYOFB-UHFFFAOYSA-N 1 0 396.329 2.867 20 0 GFADRO CC[C@H]([NH3+])CNC(=O)[C@H](CCSC)NC(=O)c1ccc(Cl)cc1Cl ZINC000582904324 564867381 /nfs/dbraw/zinc/86/73/81/564867381.db2.gz MQDGSKHYEIMNLA-FZMZJTMJSA-N 1 0 392.352 2.698 20 0 GFADRO Cc1cc(NC(=O)CNC(=O)C[N@@H+]2CCC(C)(C)C2)ccc1Br ZINC000557583179 564868224 /nfs/dbraw/zinc/86/82/24/564868224.db2.gz LBJZJUODHPQJGX-UHFFFAOYSA-N 1 0 382.302 2.544 20 0 GFADRO COCCOC[C@@H](O)C[NH2+]CC1(c2ccc(Br)s2)CCC1 ZINC000582960260 564869758 /nfs/dbraw/zinc/86/97/58/564869758.db2.gz JEMOTGVDHSVOFA-LBPRGKRZSA-N 1 0 378.332 2.546 20 0 GFADRO CS(=O)(=O)c1ccc(-c2nc(CN3C[C@H]4CCC[C@@H](C3)[NH2+]4)cs2)cc1 ZINC000582968191 564870037 /nfs/dbraw/zinc/87/00/37/564870037.db2.gz OIKXSYLZDQIVIK-GASCZTMLSA-N 1 0 377.535 2.540 20 0 GFADRO COc1cc(Br)c(CN2CCC(CO[C@H]3CC[NH2+]C3)CC2)cc1O ZINC000530248122 564872705 /nfs/dbraw/zinc/87/27/05/564872705.db2.gz GNAGVFPLFHHOII-HNNXBMFYSA-N 1 0 399.329 2.754 20 0 GFADRO C[C@H](O)C[N@@H+]1CCN(C(=O)CCc2nc3cc(Cl)ccc3s2)[C@H](C)C1 ZINC000530290623 564875119 /nfs/dbraw/zinc/87/51/19/564875119.db2.gz DBABAPAADQLODL-OLZOCXBDSA-N 1 0 381.929 2.796 20 0 GFADRO CC(C)(C)OC(=O)[C@](C)(O)C[NH2+]Cc1cc(Br)cc2c1OCC2 ZINC000463283626 564875399 /nfs/dbraw/zinc/87/53/99/564875399.db2.gz NQFKPQUKNYDKTR-QGZVFWFLSA-N 1 0 386.286 2.566 20 0 GFADRO CS[C@@H]1CN(C(=O)CCOc2cccc(Br)c2)C[C@H]1[NH+](C)C ZINC000497801712 564877364 /nfs/dbraw/zinc/87/73/64/564877364.db2.gz AEWARIJOCBPHCK-HUUCEWRRSA-N 1 0 387.343 2.722 20 0 GFADRO CC[NH+]1CCC(N(C)C(=O)c2cc(F)ccc2I)CC1 ZINC000497875043 564878043 /nfs/dbraw/zinc/87/80/43/564878043.db2.gz OWUKKKYYPDRBNE-UHFFFAOYSA-N 1 0 390.240 2.987 20 0 GFADRO C[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)N1CC[N@H+](C)CC[C@@H]1C ZINC000583159932 564878498 /nfs/dbraw/zinc/87/84/98/564878498.db2.gz ICARURGKZQEJQP-OLZOCXBDSA-N 1 0 386.323 2.593 20 0 GFADRO Cc1nn(-c2ccc(C(=O)N[C@@H](C)C[NH+](C)C)cc2)c(C)c1Br ZINC000583160998 564878886 /nfs/dbraw/zinc/87/88/86/564878886.db2.gz ALTJNYBCMBQYGY-NSHDSACASA-N 1 0 379.302 2.932 20 0 GFADRO C[C@@H](C[NH+]1CCCCC1)NS(=O)(=O)Cc1ccccc1Br ZINC000557832722 564879857 /nfs/dbraw/zinc/87/98/57/564879857.db2.gz CEGJHJUNLPLZGD-ZDUSSCGKSA-N 1 0 375.332 2.743 20 0 GFADRO C[NH+](C)C[C@H]1CCCN1S(=O)(=O)c1cc(Br)cc2cccnc21 ZINC000557841917 564880917 /nfs/dbraw/zinc/88/09/17/564880917.db2.gz BDUGFDKFGKERBK-CQSZACIVSA-N 1 0 398.326 2.712 20 0 GFADRO COC(=O)c1ccc(C[N@@H+]2CCC[C@@H](CCNC(C)=O)C2)c(Br)c1 ZINC000583230910 564881859 /nfs/dbraw/zinc/88/18/59/564881859.db2.gz FKSNHXMIXAQQGS-AWEZNQCLSA-N 1 0 397.313 2.974 20 0 GFADRO CCC[N@@H+]1CCC[C@H]1CNS(=O)(=O)Cc1ccccc1Br ZINC000557844157 564881820 /nfs/dbraw/zinc/88/18/20/564881820.db2.gz NWTRTDUDPOXKQA-AWEZNQCLSA-N 1 0 375.332 2.743 20 0 GFADRO Cc1cc(N2CCC[C@@H]([N@@H+]3CCC[C@@H](CO)C3)C2=O)ccc1Br ZINC000463477709 564882285 /nfs/dbraw/zinc/88/22/85/564882285.db2.gz JMSDHCPRUPGKRY-RHSMWYFYSA-N 1 0 381.314 2.957 20 0 GFADRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1S(=O)(=O)c1cc(Br)ccc1F ZINC000557854682 564882690 /nfs/dbraw/zinc/88/26/90/564882690.db2.gz ZLUPIORXTJOYQX-FZMZJTMJSA-N 1 0 391.306 2.836 20 0 GFADRO C[C@H]1CC[N@H+](CCNCc2ccc(Br)cc2N2CCOCC2)C1 ZINC000530441359 564883038 /nfs/dbraw/zinc/88/30/38/564883038.db2.gz UEGIVHQKDZXQJG-HNNXBMFYSA-N 1 0 382.346 2.717 20 0 GFADRO COc1ccc(-c2noc(=O)n2CC[NH+]2CCCCC2)cc1Br ZINC000463561471 564884641 /nfs/dbraw/zinc/88/46/41/564884641.db2.gz GFHVFQVZMWPJKH-UHFFFAOYSA-N 1 0 382.258 2.760 20 0 GFADRO C[C@]1(C[NH2+]C[C@H](O)COc2cccc(Br)c2)CCO[C@@H]1C1CC1 ZINC000583317867 564886100 /nfs/dbraw/zinc/88/61/00/564886100.db2.gz CXRXVBHWQSLMCN-CGTJXYLNSA-N 1 0 384.314 2.984 20 0 GFADRO O[C@H](C[NH2+][C@H]1CCN(c2ncccc2Cl)C1)COc1ccc(Cl)cc1 ZINC000583376605 564888290 /nfs/dbraw/zinc/88/82/90/564888290.db2.gz WGUYPPIEORPHMI-LSDHHAIUSA-N 1 0 382.291 2.997 20 0 GFADRO CC[NH+](CC)CCSCC(=O)Nc1ccc(NS(C)(=O)=O)c(Cl)c1 ZINC000530574343 564888515 /nfs/dbraw/zinc/88/85/15/564888515.db2.gz NKRFZDKEPVUHBC-UHFFFAOYSA-N 1 0 393.962 2.725 20 0 GFADRO C[C@H]1CC[N@H+](CCNC(=O)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)C1 ZINC000530567351 564888544 /nfs/dbraw/zinc/88/85/44/564888544.db2.gz VJLJDZYTAZSDTK-JTQLQIEISA-N 1 0 377.794 2.755 20 0 GFADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)Nc1cc(C)c(Br)cc1F ZINC000498114799 564889080 /nfs/dbraw/zinc/88/90/80/564889080.db2.gz QNYHGQJUCJCWQI-NSHDSACASA-N 1 0 388.281 2.682 20 0 GFADRO C[C@H]1CCC[N@H+](CCNC(=O)NCCNc2cccc(Br)c2)C1 ZINC000498165073 564889659 /nfs/dbraw/zinc/88/96/59/564889659.db2.gz GHBMSDIVZPGEOC-AWEZNQCLSA-N 1 0 383.334 2.892 20 0 GFADRO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)C(=O)[C@@H](C)N3CCSCC3)C2)s1 ZINC000558038105 564890323 /nfs/dbraw/zinc/89/03/23/564890323.db2.gz QINAIEQUWWMSTC-SJORKVTESA-N 1 0 381.611 2.774 20 0 GFADRO C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)[C@H]([NH3+])CC(F)F)CC1 ZINC000498217306 564891781 /nfs/dbraw/zinc/89/17/81/564891781.db2.gz RVHWFCAXVCUVCR-BXUZGUMPSA-N 1 0 390.272 2.637 20 0 GFADRO CN(C)S(=O)(=O)N1CCCC[C@H]1C[NH2+]Cc1cnc(C2CCCC2)s1 ZINC000558129650 564892565 /nfs/dbraw/zinc/89/25/65/564892565.db2.gz UDKPCRKOZCIMHL-HNNXBMFYSA-N 1 0 386.587 2.551 20 0 GFADRO O=C(c1cn([C@@H]2CCC[NH2+]C2)nn1)N1CCc2c(ccc(Cl)c2Cl)C1 ZINC000583494170 564894036 /nfs/dbraw/zinc/89/40/36/564894036.db2.gz UFUZCWWZJMFYLN-GFCCVEGCSA-N 1 0 380.279 2.708 20 0 GFADRO C[N@@H+](CCC(=O)Nc1cc(F)cc(F)c1)CCn1cc(Br)cn1 ZINC000558181939 564895649 /nfs/dbraw/zinc/89/56/49/564895649.db2.gz GJJIIANKHFUABW-UHFFFAOYSA-N 1 0 387.228 2.884 20 0 GFADRO C[C@H](CNC(=O)c1ccc(Cl)c(NS(C)(=O)=O)c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000498352325 564896929 /nfs/dbraw/zinc/89/69/29/564896929.db2.gz HMPIRMXPLAPDLI-CHWSQXEVSA-N 1 0 387.933 2.562 20 0 GFADRO CNC(=O)[C@H]1CCC[C@@H]1[NH2+]Cc1cc(Br)c2c(c1)OCCCO2 ZINC000498371448 564898077 /nfs/dbraw/zinc/89/80/77/564898077.db2.gz DATMQMMCPPEHJC-JSGCOSHPSA-N 1 0 383.286 2.615 20 0 GFADRO O=S1(=O)C[C@H](C[NH2+]Cc2cc(Cl)c3c(c2)OCCO3)c2ccccc21 ZINC000583605238 564899500 /nfs/dbraw/zinc/89/95/00/564899500.db2.gz HKRRQIGWMFYGTN-ZDUSSCGKSA-N 1 0 379.865 2.772 20 0 GFADRO O=C(NC[C@@H]1C[NH2+]CCO1)c1ccc(-c2ccc(Br)s2)s1 ZINC000583625413 564899581 /nfs/dbraw/zinc/89/95/81/564899581.db2.gz PVKNWOSPKVWGES-VIFPVBQESA-N 1 0 387.324 2.957 20 0 GFADRO CCC(=O)N[C@H](CCSC)C(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000531066955 564901084 /nfs/dbraw/zinc/90/10/84/564901084.db2.gz QBLZGJWRAYRRRF-CVEARBPZSA-N 1 0 385.961 2.707 20 0 GFADRO CC[N@@H+]1C[C@H](C)N(C(=O)Cc2ccccc2I)C[C@@H]1C ZINC000498552830 564901839 /nfs/dbraw/zinc/90/18/39/564901839.db2.gz CKUSOOQOPKUFLZ-STQMWFEESA-N 1 0 386.277 2.775 20 0 GFADRO Cc1csc(C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)c1I ZINC000583688016 564903304 /nfs/dbraw/zinc/90/33/04/564903304.db2.gz BLCLERQQAALDTA-ZJUUUORDSA-N 1 0 376.263 2.628 20 0 GFADRO CSc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCCN(S(=O)(=O)N(C)C)C1)CCC2 ZINC000583693449 564903419 /nfs/dbraw/zinc/90/34/19/564903419.db2.gz QPMIPFLIUZKNRA-CRAIPNDOSA-N 1 0 383.583 2.646 20 0 GFADRO COCC[N@H+](C)CCNC(=O)N1CCC[C@H]1c1ccc(Br)cc1 ZINC000531205613 564903912 /nfs/dbraw/zinc/90/39/12/564903912.db2.gz ZQAWSGZVJXAZGN-INIZCTEOSA-N 1 0 384.318 2.874 20 0 GFADRO CCC[N@H+](CC)C[C@@H](C)NC(=O)C(=O)Nc1cccc(Br)c1C ZINC000558543417 564905161 /nfs/dbraw/zinc/90/51/61/564905161.db2.gz IDCQGQBOZOALFU-GFCCVEGCSA-N 1 0 384.318 2.933 20 0 GFADRO Cc1cc(N2CCC[C@H]([N@@H+]3C[C@@H]4CC[C@@H](O)[C@@H]4C3)C2=O)ccc1Br ZINC000464495351 564908132 /nfs/dbraw/zinc/90/81/32/564908132.db2.gz JRXQKSGDUSCWOY-UNQWWWNPSA-N 1 0 393.325 2.956 20 0 GFADRO [NH3+]CC12CCC(CC1)CN2S(=O)(=O)c1ccc(Cl)cc1Br ZINC000583822874 564908906 /nfs/dbraw/zinc/90/89/06/564908906.db2.gz ANLNIGFKYDZRSF-UHFFFAOYSA-N 1 0 393.734 2.995 20 0 GFADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCc2cc(Br)ccc21 ZINC000583813801 564909241 /nfs/dbraw/zinc/90/92/41/564909241.db2.gz HNBSVTRUHBDKIA-NVXWUHKLSA-N 1 0 381.314 2.706 20 0 GFADRO CO[C@]1(C)CCC[N@H+](Cc2cc(=O)n3cc(Br)ccc3n2)CC1 ZINC000583907005 564912265 /nfs/dbraw/zinc/91/22/65/564912265.db2.gz ZVMLVWBUUGEMKC-QGZVFWFLSA-N 1 0 380.286 2.848 20 0 GFADRO C[C@@H](CCNS(=O)(=O)c1ccccc1)[NH2+]Cc1ccc(Br)o1 ZINC000558792281 564915058 /nfs/dbraw/zinc/91/50/58/564915058.db2.gz ZPYMTBRMTVXDLP-LBPRGKRZSA-N 1 0 387.299 2.889 20 0 GFADRO Cc1cc(C)c(NC(=O)NCCN(C)S(=O)(=O)c2cccs2)c(C)n1 ZINC000583977653 564915283 /nfs/dbraw/zinc/91/52/83/564915283.db2.gz OGJSGXWMSUOVIK-UHFFFAOYSA-N 1 0 382.511 2.511 20 0 GFADRO CC[NH2+]CCCNC(=O)C(=O)Nc1ccc(Br)c(C(F)(F)F)c1 ZINC000584041120 564918023 /nfs/dbraw/zinc/91/80/23/564918023.db2.gz VKJAHNWQHMQSGH-UHFFFAOYSA-N 1 0 396.207 2.522 20 0 GFADRO C[C@@H](CNC(=O)c1cc(Br)cnc1N(C)C)C[NH+]1CCCCC1 ZINC000499091871 564918437 /nfs/dbraw/zinc/91/84/37/564918437.db2.gz DSTKIMHWVPLEME-ZDUSSCGKSA-N 1 0 383.334 2.762 20 0 GFADRO O=S1(=O)C[C@@H](C[NH2+]Cc2ccc(Br)s2)Oc2ccccc21 ZINC000584052815 564919185 /nfs/dbraw/zinc/91/91/85/564919185.db2.gz HPYBXPINPIVGQD-SNVBAGLBSA-N 1 0 388.308 2.835 20 0 GFADRO CC(C)[N@H+](C)CCNC(=O)C(=O)Nc1ccc(-c2ccc(Cl)s2)nc1 ZINC000559014417 564920413 /nfs/dbraw/zinc/92/04/13/564920413.db2.gz HEQALWPDWIQIGS-UHFFFAOYSA-N 1 0 380.901 2.858 20 0 GFADRO CC[N@@H+]1CC[C@H]2OCCN(S(=O)(=O)Cc3ccc(Cl)cc3Cl)[C@H]2C1 ZINC000559113615 564922715 /nfs/dbraw/zinc/92/27/15/564922715.db2.gz HEDZBDHGFTVAMY-JKSUJKDBSA-N 1 0 393.336 2.618 20 0 GFADRO CCN(CC[NH2+]C[C@H](O)COc1ccc(Cl)cc1Br)C1CC1 ZINC000584167617 564923393 /nfs/dbraw/zinc/92/33/93/564923393.db2.gz AUBDJAYOTAUASV-AWEZNQCLSA-N 1 0 391.737 2.916 20 0 GFADRO CC(C)(C)OC(=O)CC[NH2+]C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000584168273 564923449 /nfs/dbraw/zinc/92/34/49/564923449.db2.gz ZNIKYSYEFHMGCV-ZDUSSCGKSA-N 1 0 392.265 2.649 20 0 GFADRO Cc1cc(Br)cn2cc(CC[NH2+]Cc3c[nH]c4nccnc34)nc12 ZINC000584204724 564925171 /nfs/dbraw/zinc/92/51/71/564925171.db2.gz YKTCELKISZXMOW-UHFFFAOYSA-N 1 0 385.269 2.960 20 0 GFADRO Cn1ncc2ccc(C[NH2+]C[C@H](O)COc3ccc(Br)cc3)cc21 ZINC000584287690 564928776 /nfs/dbraw/zinc/92/87/76/564928776.db2.gz YDCBXCBYNDRNPX-INIZCTEOSA-N 1 0 390.281 2.865 20 0 GFADRO CCOCCCNC(=O)[C@H](C)[NH2+][C@H](c1cncc(Br)c1)C1CC1 ZINC000584306650 564929670 /nfs/dbraw/zinc/92/96/70/564929670.db2.gz RIKKHNMVTZZFOG-LRDDRELGSA-N 1 0 384.318 2.816 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000532179351 564931596 /nfs/dbraw/zinc/93/15/96/564931596.db2.gz RZRJJJGBUPPLPR-OAHLLOKOSA-N 1 0 394.313 2.647 20 0 GFADRO CCO[C@H](CC[NH+](C)C)CNC(=O)Nc1ccc(OC)c(Br)c1 ZINC000532293159 564933975 /nfs/dbraw/zinc/93/39/75/564933975.db2.gz NUGNDSAQNPQGSG-CYBMUJFWSA-N 1 0 388.306 2.936 20 0 GFADRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NCc1c(Cl)cccc1Cl ZINC000559800166 564940526 /nfs/dbraw/zinc/94/05/26/564940526.db2.gz DMIANVNNMSJOGQ-OLZOCXBDSA-N 1 0 386.323 2.846 20 0 GFADRO CCC[NH+]1CCC(N(C)C(=O)C(=O)NCc2c(Cl)cccc2Cl)CC1 ZINC000559802321 564940541 /nfs/dbraw/zinc/94/05/41/564940541.db2.gz QDSSLLPFJIGBGI-UHFFFAOYSA-N 1 0 386.323 2.942 20 0 GFADRO Cc1ccc(C[NH2+][C@H]2CCC[C@H](S(C)(=O)=O)C2)c(-n2cc(Cl)cn2)n1 ZINC000559903816 564941165 /nfs/dbraw/zinc/94/11/65/564941165.db2.gz NBDFCNALFCSNQN-HOTGVXAUSA-N 1 0 382.917 2.675 20 0 GFADRO COc1cc(Br)ccc1CCC[NH2+][C@@H](CS(C)(=O)=O)C1CC1 ZINC000559836659 564941466 /nfs/dbraw/zinc/94/14/66/564941466.db2.gz FFJACMJMNDFVFA-HNNXBMFYSA-N 1 0 390.343 2.803 20 0 GFADRO CS(=O)(=O)C[C@@H]([NH2+]Cc1cnn(-c2ccc(Br)cc2)c1)C1CC1 ZINC000559902052 564941473 /nfs/dbraw/zinc/94/14/73/564941473.db2.gz QBEGWWSCWWNKQU-MRXNPFEDSA-N 1 0 398.326 2.548 20 0 GFADRO Cc1ccc(C[NH2+][C@@H]2CCC[C@H](S(C)(=O)=O)C2)c(-n2cc(Cl)cn2)n1 ZINC000559903810 564941597 /nfs/dbraw/zinc/94/15/97/564941597.db2.gz NBDFCNALFCSNQN-CVEARBPZSA-N 1 0 382.917 2.675 20 0 GFADRO CC[C@H](Cn1cncn1)[NH2+][C@@H]1CCN(c2ccc(Br)c(C)c2)C1=O ZINC000559901001 564941649 /nfs/dbraw/zinc/94/16/49/564941649.db2.gz AAAJYUWUZZDOFQ-CZUORRHYSA-N 1 0 392.301 2.523 20 0 GFADRO COc1ccc(Br)cc1CNC(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000532638172 564941668 /nfs/dbraw/zinc/94/16/68/564941668.db2.gz COVDRFIQVUQWLD-GJZGRUSLSA-N 1 0 382.302 2.884 20 0 GFADRO Cc1ccc(-c2csc(NC(=O)C(=O)N3CC[N@@H+](C)CC[C@@H]3C)n2)s1 ZINC000500030957 564942977 /nfs/dbraw/zinc/94/29/77/564942977.db2.gz FJJDQTUPCDZNQU-NSHDSACASA-N 1 0 378.523 2.671 20 0 GFADRO CC(C)(Cc1ccc(Br)cc1)[NH2+]CCn1nc2ccccn2c1=O ZINC000532714660 564943536 /nfs/dbraw/zinc/94/35/36/564943536.db2.gz WAADJDOSNMPWFG-UHFFFAOYSA-N 1 0 389.297 2.869 20 0 GFADRO C[N@@H+]1CC[C@@H]2CCN(S(=O)(=O)c3cccc(Br)c3Cl)[C@@H]2C1 ZINC000560034055 564945453 /nfs/dbraw/zinc/94/54/53/564945453.db2.gz HBNZORIHEYIYOR-ZYHUDNBSSA-N 1 0 393.734 2.817 20 0 GFADRO CC(=O)N1CCC([NH2+][C@@H](C)CC(=O)Nc2ccc(Br)cc2)CC1 ZINC000500116530 564946215 /nfs/dbraw/zinc/94/62/15/564946215.db2.gz CEDPUAOTMMLEDQ-LBPRGKRZSA-N 1 0 382.302 2.767 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)c1cc(=O)c2cc(Br)ccc2[nH]1 ZINC000560056244 564947327 /nfs/dbraw/zinc/94/73/27/564947327.db2.gz GHIYTVJEELLYOQ-MEBBXXQBSA-N 1 0 378.270 2.633 20 0 GFADRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N(C)CCOc1ccc(Br)cc1 ZINC000466796205 564947805 /nfs/dbraw/zinc/94/78/05/564947805.db2.gz RLXHJVRUVNCWIY-SUMWQHHRSA-N 1 0 396.329 2.952 20 0 GFADRO C[NH+](C)C1(CNC(=O)N2CCc3ccc(Br)cc3C2)CCOCC1 ZINC000560118144 564950984 /nfs/dbraw/zinc/95/09/84/564950984.db2.gz XWFWWGLMHUZSKR-UHFFFAOYSA-N 1 0 396.329 2.628 20 0 GFADRO C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000467019818 564952345 /nfs/dbraw/zinc/95/23/45/564952345.db2.gz DEQXAFQVWLVEPD-ZETOZRRWSA-N 1 0 384.307 2.711 20 0 GFADRO CS(=O)(=O)NC[C@@H]1CCC[C@H]1[NH2+]Cc1csc(-c2ccc(F)cc2)n1 ZINC000500473380 564955112 /nfs/dbraw/zinc/95/51/12/564955112.db2.gz AZLYGXRQRAMDCV-XJKSGUPXSA-N 1 0 383.514 2.757 20 0 GFADRO C[C@H](C[NH2+][C@@H]1CCC[C@H]1CNS(C)(=O)=O)c1cccc(Br)c1 ZINC000500497439 564955527 /nfs/dbraw/zinc/95/55/27/564955527.db2.gz KINKHXVXERSMKQ-IVMMDQJWSA-N 1 0 389.359 2.860 20 0 GFADRO COc1c(Cl)cc(Cl)cc1C[NH2+][C@@H]1CCC[C@H]1CNS(C)(=O)=O ZINC000500534754 564955796 /nfs/dbraw/zinc/95/57/96/564955796.db2.gz PECBXMUTICPMMG-IINYFYTJSA-N 1 0 381.325 2.810 20 0 GFADRO CS(=O)(=O)NC[C@H]1CCC[C@@H]1[NH2+]Cc1cc(Cl)ccc1OC(F)F ZINC000500527087 564955856 /nfs/dbraw/zinc/95/58/56/564955856.db2.gz CYVUMRJDYRGABT-MFKMUULPSA-N 1 0 382.860 2.749 20 0 GFADRO C[NH+](C)C1(CNS(=O)(=O)c2cc(Br)ccc2F)CCCC1 ZINC000500659499 564959727 /nfs/dbraw/zinc/95/97/27/564959727.db2.gz WQDKHBQBOVUZDA-UHFFFAOYSA-N 1 0 379.295 2.741 20 0 GFADRO O[C@@H](Cn1cccn1)C[N@H+](Cc1cccc(Br)c1)C1CCOCC1 ZINC000467301180 564959856 /nfs/dbraw/zinc/95/98/56/564959856.db2.gz YJXYBPXCSQNAOP-GOSISDBHSA-N 1 0 394.313 2.688 20 0 GFADRO COC(C)(C)C[N@H+](C)[C@@H](C)C(=O)Nc1cccc(I)c1 ZINC000533342289 564961319 /nfs/dbraw/zinc/96/13/19/564961319.db2.gz YPSUXSGFJFLIQQ-NSHDSACASA-N 1 0 390.265 2.975 20 0 GFADRO COc1cc2c(cc1F)CC[C@H]2[NH2+]CCN(C)S(=O)(=O)c1cccs1 ZINC000467372448 564961546 /nfs/dbraw/zinc/96/15/46/564961546.db2.gz BGLWJOLFBYGVBJ-OAHLLOKOSA-N 1 0 384.498 2.793 20 0 GFADRO C[NH+](C)CCN(Cc1ccccn1)C(=O)Cc1ccccc1Br ZINC000500779051 564962515 /nfs/dbraw/zinc/96/25/15/564962515.db2.gz LCYMECASDBHZIE-UHFFFAOYSA-N 1 0 376.298 2.977 20 0 GFADRO Brc1cc(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)cnc1N1CCOCC1 ZINC000467442855 564963595 /nfs/dbraw/zinc/96/35/95/564963595.db2.gz IHUPNDUTWRVPQG-ZFWWWQNUSA-N 1 0 381.318 2.719 20 0 GFADRO C[C@H](C(=O)NC[C@H](C[NH+](C)C)c1ccc(Cl)cc1)N(C)CC(F)(F)F ZINC000560505959 564965577 /nfs/dbraw/zinc/96/55/77/564965577.db2.gz WUIMTTVCSRMYLK-TZMCWYRMSA-N 1 0 379.854 2.984 20 0 GFADRO CC[C@@H]([NH2+]CCNS(=O)(=O)c1cccc(Cl)c1Cl)[C@H]1CCOC1 ZINC000560575021 564968227 /nfs/dbraw/zinc/96/82/27/564968227.db2.gz KNRPWVLZLDBLCE-WCQYABFASA-N 1 0 381.325 2.676 20 0 GFADRO CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)c3cscc3Br)C2)CC1 ZINC000560594360 564969166 /nfs/dbraw/zinc/96/91/66/564969166.db2.gz ZMWSSGLVKGBCIE-CYBMUJFWSA-N 1 0 386.359 2.751 20 0 GFADRO COc1coc(C[NH2+]C(C)(C)COc2ncccc2Br)cc1=O ZINC000501069031 564969550 /nfs/dbraw/zinc/96/95/50/564969550.db2.gz NYVQCJLQJXKEOD-UHFFFAOYSA-N 1 0 383.242 2.753 20 0 GFADRO C[NH+]1CCC([C@H]2CCN(C(=O)C(=O)c3ccc(Br)cc3)C2)CC1 ZINC000533695548 564970085 /nfs/dbraw/zinc/97/00/85/564970085.db2.gz UXNZHACZWWIOGO-HNNXBMFYSA-N 1 0 379.298 2.822 20 0 GFADRO O=C(Nc1cccc2c1CC[NH2+]C2)C(=O)N[C@H]1CCc2sc(Cl)cc21 ZINC000560990793 564981103 /nfs/dbraw/zinc/98/11/03/564981103.db2.gz RLVBMJVYPBRBRB-AWEZNQCLSA-N 1 0 375.881 2.789 20 0 GFADRO C[NH+](C)CCOC1CCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)CC1 ZINC000501504724 564981298 /nfs/dbraw/zinc/98/12/98/564981298.db2.gz HCMKGACXRZECAF-UHFFFAOYSA-N 1 0 395.352 2.866 20 0 GFADRO Cc1nc(-c2ccc(CCNC(=O)N3CC[C@H]4C[NH2+]C[C@@H]4C3)s2)cs1 ZINC000561146540 564985585 /nfs/dbraw/zinc/98/55/85/564985585.db2.gz HASDWFSHHCDFSN-UONOGXRCSA-N 1 0 376.551 2.973 20 0 GFADRO [NH3+]C[C@H]1CC[C@@H](NC(=O)NCCNc2ncc(C(F)(F)F)cc2Cl)C1 ZINC000561143174 564985650 /nfs/dbraw/zinc/98/56/50/564985650.db2.gz PGDFFAQZNVNTKU-GXSJLCMTSA-N 1 0 379.814 2.592 20 0 GFADRO O=C(N[C@@H]1COc2cc(F)c(Br)cc21)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000561198035 564986779 /nfs/dbraw/zinc/98/67/79/564986779.db2.gz PRRNKNGEUCZHFW-PBHICJAKSA-N 1 0 398.276 2.807 20 0 GFADRO C[C@@H]([NH2+]Cc1cn(-c2cccc(Cl)c2Cl)nn1)[C@H](C)N1CCOCC1 ZINC000534355548 564986832 /nfs/dbraw/zinc/98/68/32/564986832.db2.gz XZSACOIWQFPZGQ-OLZOCXBDSA-N 1 0 384.311 2.773 20 0 GFADRO O=C(NCc1cc2cc(Br)ccc2[nH]1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000561187846 564986981 /nfs/dbraw/zinc/98/69/81/564986981.db2.gz CHPWBPPJMJPTEY-OKILXGFUSA-N 1 0 377.286 2.966 20 0 GFADRO C[C@H](Cc1cccc(Br)c1)NC(=O)NCCNc1cc[nH+]cc1 ZINC000534525205 564990821 /nfs/dbraw/zinc/99/08/21/564990821.db2.gz URLRJEXNHBATGL-CYBMUJFWSA-N 1 0 377.286 2.608 20 0 GFADRO C[C@@H](C[NH+]1CCOCC1)C(=O)NCC1(c2ccccc2Br)CC1 ZINC000502056674 564991101 /nfs/dbraw/zinc/99/11/01/564991101.db2.gz XVOPKEJHVPIOSU-AWEZNQCLSA-N 1 0 381.314 2.565 20 0 GFADRO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)c1cncc(I)c1 ZINC000534560810 564991540 /nfs/dbraw/zinc/99/15/40/564991540.db2.gz KEWAMAISOSNCDL-RYUDHWBXSA-N 1 0 387.265 2.679 20 0 GFADRO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N[C@H](C)Cc1ccc(Cl)cc1Cl ZINC000561329157 564991605 /nfs/dbraw/zinc/99/16/05/564991605.db2.gz YPVVMMRVLMDWLP-CHWSQXEVSA-N 1 0 388.339 2.887 20 0 GFADRO CC[NH+](CC)CCN(CC(C)C)S(=O)(=O)c1cc(C(=O)OC)cs1 ZINC000502205100 564994251 /nfs/dbraw/zinc/99/42/51/564994251.db2.gz IYZPWGPUKNTBNW-UHFFFAOYSA-N 1 0 376.544 2.523 20 0 GFADRO CC1CC[NH+](CCCNS(=O)(=O)Cc2cccc(Br)c2)CC1 ZINC000561476830 564996441 /nfs/dbraw/zinc/99/64/41/564996441.db2.gz GDOAWGNLQCXEDU-UHFFFAOYSA-N 1 0 389.359 2.991 20 0 GFADRO CO[C@@H](CC[NH2+][C@@H](C)c1cccc(N2CCCS2(=O)=O)c1)C(F)(F)F ZINC000468873998 564997564 /nfs/dbraw/zinc/99/75/64/564997564.db2.gz FIDXOMFUPNAONR-WFASDCNBSA-N 1 0 380.432 2.845 20 0 GFADRO COc1c(Br)c(C)sc1C(=O)N1C[C@@H](SC)[C@@H]([NH+](C)C)C1 ZINC000534828578 564997996 /nfs/dbraw/zinc/99/79/96/564997996.db2.gz JGWQTMUCYIOLIA-VHSXEESVSA-N 1 0 393.372 2.945 20 0 GFADRO O=C1NC(=O)C2(CCC([NH2+]C3(c4cccc(Br)c4)CC3)CC2)N1 ZINC000561523061 564998496 /nfs/dbraw/zinc/99/84/96/564998496.db2.gz QGDWPRMWQPAUTK-UHFFFAOYSA-N 1 0 378.270 2.549 20 0 GFADRO CC[NH+]1CCN(CC(=O)N[C@H]2c3cccc(Br)c3CC2(C)C)CC1 ZINC000561522899 564998731 /nfs/dbraw/zinc/99/87/31/564998731.db2.gz MVPMLLIIVUQHJH-SFHVURJKSA-N 1 0 394.357 2.826 20 0 GFADRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)Cc3ccc(Br)cc3C)[C@H]2C1 ZINC000502677421 565003553 /nfs/dbraw/zinc/00/35/53/565003553.db2.gz FWIGXPJVAUKXPG-DLBZAZTESA-N 1 0 381.314 2.622 20 0 GFADRO COc1ccc(Br)cc1CNC(=O)N1CC[NH+](C2CCC2)CC1 ZINC000502811860 565006339 /nfs/dbraw/zinc/00/63/39/565006339.db2.gz PQCAJDSEZVDBTK-UHFFFAOYSA-N 1 0 382.302 2.837 20 0 GFADRO CSc1ccccc1NC(=O)CN(C)C(=O)C[N@@H+]1CCSCC[C@H]1C ZINC000502845522 565006718 /nfs/dbraw/zinc/00/67/18/565006718.db2.gz VRPFMZFSFVSHLO-CQSZACIVSA-N 1 0 381.567 2.633 20 0 GFADRO C[NH+]1CCC(CCO)(NCc2nc(-c3ccc(Br)cc3)c[nH]2)CC1 ZINC000469242574 565009708 /nfs/dbraw/zinc/00/97/08/565009708.db2.gz KZCWAFLNWYYGIE-UHFFFAOYSA-N 1 0 393.329 2.776 20 0 GFADRO C[NH+](C)[C@]1(CNC(=O)Cc2c(F)ccc(Br)c2F)CCSC1 ZINC000503000588 565009980 /nfs/dbraw/zinc/00/99/80/565009980.db2.gz SANBTAWXIDCZIG-HNNXBMFYSA-N 1 0 393.297 2.823 20 0 GFADRO CCc1n[nH]c(C(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)c1Br ZINC000469234434 565010197 /nfs/dbraw/zinc/01/01/97/565010197.db2.gz JDTAXGITSNHZPJ-WFASDCNBSA-N 1 0 391.313 2.985 20 0 GFADRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(S(C)(=O)=O)s2)[C@@H]1Oc1ccccc1 ZINC000469303516 565013254 /nfs/dbraw/zinc/01/32/54/565013254.db2.gz XUCHPJPHMUYICW-NUJGCVRESA-N 1 0 381.519 2.866 20 0 GFADRO CC(=O)NCC[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(Br)c(C)c2)C1 ZINC000561930875 565013643 /nfs/dbraw/zinc/01/36/43/565013643.db2.gz IMJJVBLWAHTKJJ-HNNXBMFYSA-N 1 0 396.329 2.934 20 0 GFADRO NS(=O)(=O)c1ccc(Cl)c(NC(=O)C[N@@H+]2CCCC23CCCCC3)c1 ZINC000535443360 565013980 /nfs/dbraw/zinc/01/39/80/565013980.db2.gz URXQMSGITMLUHO-UHFFFAOYSA-N 1 0 385.917 2.725 20 0 GFADRO COCC[N@@H+]1CC[C@H](NC(=O)c2cc(Br)c(Cl)cc2OC)C1 ZINC000469374011 565015275 /nfs/dbraw/zinc/01/52/75/565015275.db2.gz WALSAAMZWADANU-JTQLQIEISA-N 1 0 391.693 2.562 20 0 GFADRO Cc1csc(C(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)c1I ZINC000469377874 565015679 /nfs/dbraw/zinc/01/56/79/565015679.db2.gz XEVZAWBMNQPVHF-ZJUUUORDSA-N 1 0 378.279 2.874 20 0 GFADRO CC[C@H](C(=O)NCc1nnc(-c2ccc(Br)cc2)[nH]1)[NH+](CC)CC ZINC000469399179 565016201 /nfs/dbraw/zinc/01/62/01/565016201.db2.gz DTDQYJOQUGETFW-CQSZACIVSA-N 1 0 394.317 2.971 20 0 GFADRO C[NH+](C)C[C@H]1CCCN1S(=O)(=O)c1c(Cl)cc(F)cc1Br ZINC000503243526 565016255 /nfs/dbraw/zinc/01/62/55/565016255.db2.gz PJLGCHANICOFNC-SNVBAGLBSA-N 1 0 399.713 2.956 20 0 GFADRO CS[C@H]1CN(S(=O)(=O)c2cc(Cl)sc2Cl)C[C@@H]1[NH+](C)C ZINC000503244941 565016507 /nfs/dbraw/zinc/01/65/07/565016507.db2.gz SKMRIJOHEYLQDL-YUMQZZPRSA-N 1 0 375.368 2.721 20 0 GFADRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]Cc3cn4ccc(Br)cc4n3)[C@H]2C1 ZINC000562078637 565017467 /nfs/dbraw/zinc/01/74/67/565017467.db2.gz QHKGKKXOJCBNJW-JQFCIGGWSA-N 1 0 391.313 2.833 20 0 GFADRO CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC(c2ccc(Br)cc2)CC1 ZINC000503438571 565019412 /nfs/dbraw/zinc/01/94/12/565019412.db2.gz ZBHOLAOYXJCTSP-LBPRGKRZSA-N 1 0 382.302 2.863 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)[C@H]2CC(=O)Nc3ccc(Br)cc32)C[N@@H+]1C1CC1 ZINC000469551067 565020271 /nfs/dbraw/zinc/02/02/71/565020271.db2.gz BVHPFGGXNSJBCV-HCKVZZMMSA-N 1 0 392.297 2.616 20 0 GFADRO C[C@@H](O)C[N@@H+]1CCN(C(=O)N[C@H](C)c2ccc(Br)cc2)[C@@H](C)C1 ZINC000503551431 565023520 /nfs/dbraw/zinc/02/35/20/565023520.db2.gz MOCFEFMHYDSZRM-BFHYXJOUSA-N 1 0 384.318 2.607 20 0 GFADRO COc1cc(Br)ccc1[C@H](C)[NH2+]CC1CCS(=O)(=O)CC1 ZINC000469740174 565025674 /nfs/dbraw/zinc/02/56/74/565025674.db2.gz VETLCBIIVSYGEJ-NSHDSACASA-N 1 0 376.316 2.933 20 0 GFADRO C[C@H]1OCC[C@H]1C(=O)Nc1cc(Br)ccc1N1CC[NH+](C)CC1 ZINC000536143544 565030620 /nfs/dbraw/zinc/03/06/20/565030620.db2.gz HELNDSWSESYCFT-TZMCWYRMSA-N 1 0 382.302 2.564 20 0 GFADRO C[NH+](C)C1(CNC(=O)N[C@H](CO)c2ccc(Br)cc2)CCCC1 ZINC000504066163 565034207 /nfs/dbraw/zinc/03/42/07/565034207.db2.gz DIHQTIGBMUYVRC-OAHLLOKOSA-N 1 0 384.318 2.656 20 0 GFADRO C[C@@H]1C[N@H+](C)CCN1c1ccc(Br)cc1NC(=O)CC1(O)CCC1 ZINC000562629463 565036090 /nfs/dbraw/zinc/03/60/90/565036090.db2.gz QJWITKZYSMQCFB-CYBMUJFWSA-N 1 0 396.329 2.833 20 0 GFADRO Cc1c(Br)cccc1CC(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000470083896 565037974 /nfs/dbraw/zinc/03/79/74/565037974.db2.gz XQRDBYSZKOQIHV-CQSZACIVSA-N 1 0 383.330 2.917 20 0 GFADRO O=C(NCC1CC[NH+](C2CC2)CC1)c1ccc(I)cc1 ZINC000470316535 565043098 /nfs/dbraw/zinc/04/30/98/565043098.db2.gz FQSSTKZGTULBPX-UHFFFAOYSA-N 1 0 384.261 2.895 20 0 GFADRO O=C(NCCc1c[nH]c2ccc(Br)cc12)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000562805924 565043889 /nfs/dbraw/zinc/04/38/89/565043889.db2.gz WUGYFRMVQVYTOB-SFHVURJKSA-N 1 0 391.313 2.868 20 0 GFADRO COc1ccc(Br)cc1CN(C)C(=O)NCCC1=CC[NH2+]CC1 ZINC000562816545 565044092 /nfs/dbraw/zinc/04/40/92/565044092.db2.gz VSYODUCSVMGKKU-UHFFFAOYSA-N 1 0 382.302 2.909 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)N1CCC[N@@H+]([C@@H](C)CO)CC1 ZINC000470397824 565044540 /nfs/dbraw/zinc/04/45/40/565044540.db2.gz NDKNKNOIEIMPBO-ZDUSSCGKSA-N 1 0 384.318 2.932 20 0 GFADRO C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1cccc(Br)c1[O-] ZINC000536689947 565045173 /nfs/dbraw/zinc/04/51/73/565045173.db2.gz ILZAQINXULOWRF-UHFFFAOYSA-N 1 0 386.334 2.500 20 0 GFADRO C[C@@H]([NH2+][C@H]1CCN(c2cnn(C)c2)C1=O)c1ccc(Br)c(F)c1 ZINC000536857378 565048487 /nfs/dbraw/zinc/04/84/87/565048487.db2.gz KPQBXYSZYVBLGR-BMIGLBTASA-N 1 0 381.249 2.778 20 0 GFADRO CO[C@H]1CCN(C(=O)CCc2cc(Cl)ccc2Br)[C@H](C[NH3+])C1 ZINC000562972142 565049911 /nfs/dbraw/zinc/04/99/11/565049911.db2.gz GHUCJYOIHXIGFC-KBPBESRZSA-N 1 0 389.721 3.000 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H](CNC(=O)c2cc(F)ccc2I)C1 ZINC000562980001 565050757 /nfs/dbraw/zinc/05/07/57/565050757.db2.gz ZZTICQKIKSKWRP-MWLCHTKSSA-N 1 0 376.213 2.678 20 0 GFADRO CC[NH+](CC)CCN(Cc1cccs1)C(=O)CS(=O)(=O)C1CCCC1 ZINC000470626928 565050979 /nfs/dbraw/zinc/05/09/79/565050979.db2.gz QQRYNBKGIDGWPL-UHFFFAOYSA-N 1 0 386.583 2.776 20 0 GFADRO O[C@@H](C[NH2+]CCOc1cccc(Br)c1)COCc1ccccc1 ZINC000562989219 565051540 /nfs/dbraw/zinc/05/15/40/565051540.db2.gz ZNLZYUWUDUJYGG-KRWDZBQOSA-N 1 0 380.282 2.995 20 0 GFADRO CS(=O)(=O)c1ccc(CNC(=O)c2cccc(C[NH+]3CCCC3)c2)s1 ZINC000470724789 565054423 /nfs/dbraw/zinc/05/44/23/565054423.db2.gz YUAYJXDSMKBCDM-UHFFFAOYSA-N 1 0 378.519 2.677 20 0 GFADRO C[NH2+][C@@H](C(=O)N1CCC(c2ccc(Br)cc2)CC1)c1cnn(C)c1 ZINC000563097934 565055394 /nfs/dbraw/zinc/05/53/94/565055394.db2.gz JDUARMYEVWEJBD-QGZVFWFLSA-N 1 0 391.313 2.849 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)CCc2cccc(Br)c2)CC12CCOCC2 ZINC000563115729 565055829 /nfs/dbraw/zinc/05/58/29/565055829.db2.gz KNKNMGAZLBEZCS-OAHLLOKOSA-N 1 0 381.314 2.596 20 0 GFADRO O=C(N[C@@H]1C[NH2+]CCC1(F)F)c1cc(-c2ccc(Br)cc2)n[nH]1 ZINC000563116825 565056025 /nfs/dbraw/zinc/05/60/25/565056025.db2.gz NVWPLJDYPISTNB-CYBMUJFWSA-N 1 0 385.212 2.566 20 0 GFADRO CS[C@@H]1CN(C[C@H](O)COc2ccc(Cl)cc2Cl)C[C@H]1[NH+](C)C ZINC000537291105 565056804 /nfs/dbraw/zinc/05/68/04/565056804.db2.gz TVPZGLIJNJCRHV-JGGQBBKZSA-N 1 0 379.353 2.711 20 0 GFADRO Cc1ccc(S(=O)(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c(Br)c1 ZINC000563129629 565056912 /nfs/dbraw/zinc/05/69/12/565056912.db2.gz GJNWJULVGHXGOI-ZIAGYGMSSA-N 1 0 387.343 2.768 20 0 GFADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)NCc3cc(Cl)sc3Cl)C2)CC1 ZINC000537809009 565063677 /nfs/dbraw/zinc/06/36/77/565063677.db2.gz MZKFTQVOLQSEEQ-CYBMUJFWSA-N 1 0 391.368 2.976 20 0 GFADRO C[C@H](NC[C@H](O)C[N@H+](C)Cc1ccccc1)c1ccc(Br)cn1 ZINC000684622355 565077051 /nfs/dbraw/zinc/07/70/51/565077051.db2.gz PYQVSSMHJUQJSG-YOEHRIQHSA-N 1 0 378.314 2.988 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)c1ccc(-n2cc(Br)cn2)cc1 ZINC000613658886 565077065 /nfs/dbraw/zinc/07/70/65/565077065.db2.gz BPPLKQHDZIADRR-HZPDHXFCSA-N 1 0 377.286 2.847 20 0 GFADRO C[C@H]1C[N@H+](CCCNC(=O)c2cc(F)c(Cl)c(N)c2Cl)CCCO1 ZINC000635857597 565078364 /nfs/dbraw/zinc/07/83/64/565078364.db2.gz HGKGUMSKFFULOI-JTQLQIEISA-N 1 0 378.275 2.945 20 0 GFADRO O=S(=O)(Cc1cc(Cl)ccc1Br)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000584412789 565079051 /nfs/dbraw/zinc/07/90/51/565079051.db2.gz ZSBHVDQFSZXDHX-IINYFYTJSA-N 1 0 393.734 2.616 20 0 GFADRO O[C@@H](C[NH2+]C[C@@H]1COc2ccccc21)COc1ccc(Br)cc1 ZINC000584406647 565079296 /nfs/dbraw/zinc/07/92/96/565079296.db2.gz WVLPPZQVGMZUAA-HIFRSBDPSA-N 1 0 378.266 2.955 20 0 GFADRO O=C1NC(=O)[C@@]2(CCC[N@@H+](CC/C=C\c3ccc(Br)cc3)C2)N1 ZINC000584507473 565084366 /nfs/dbraw/zinc/08/43/66/565084366.db2.gz CIYQAOKTCJGFBM-DVZSUYKVSA-N 1 0 378.270 2.526 20 0 GFADRO O=S(=O)(N[C@H]1CC[N@H+](CC2CC2)C1)c1ccc(Cl)cc1Br ZINC000684908036 565088051 /nfs/dbraw/zinc/08/80/51/565088051.db2.gz ULAYZRBBNDWZDJ-LBPRGKRZSA-N 1 0 393.734 2.865 20 0 GFADRO CSc1cc(Br)ccc1C(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000636048203 565089025 /nfs/dbraw/zinc/08/90/25/565089025.db2.gz QGOQOZXQGJYBID-ZDUSSCGKSA-N 1 0 387.343 2.748 20 0 GFADRO C[C@H](C[NH3+])N(C)CC(=O)Nc1ccc(Oc2ccc(Br)cc2)nc1 ZINC000584604165 565090182 /nfs/dbraw/zinc/09/01/82/565090182.db2.gz BIAGMDHXINLXIW-GFCCVEGCSA-N 1 0 393.285 2.854 20 0 GFADRO C[NH+](C)C[C@@]1(O)CCCN(C(=O)CSc2cccc(C(F)(F)F)c2)C1 ZINC000614069750 565093866 /nfs/dbraw/zinc/09/38/66/565093866.db2.gz CVONEBGWIYQUTK-INIZCTEOSA-N 1 0 376.444 2.713 20 0 GFADRO O[C@@H](COc1ccc(Cl)cc1Br)C[N@@H+]1CCC[C@@H]2COC[C@@H]21 ZINC000657305336 565095638 /nfs/dbraw/zinc/09/56/38/565095638.db2.gz YQHYCGMIOXHRIU-KYOSRNDESA-N 1 0 390.705 2.953 20 0 GFADRO O=C(NCCC[NH2+]Cc1ccnn1CC1CC1)c1cccc(Br)c1 ZINC000657341574 565098486 /nfs/dbraw/zinc/09/84/86/565098486.db2.gz DRHMINQAYMDHOS-UHFFFAOYSA-N 1 0 391.313 2.965 20 0 GFADRO CCOC1(C)CC[NH+](Cc2cc(=O)n3cc(Br)ccc3n2)CC1 ZINC000584816208 565100751 /nfs/dbraw/zinc/10/07/51/565100751.db2.gz KBFZFWOBDXEQFD-UHFFFAOYSA-N 1 0 380.286 2.848 20 0 GFADRO O=C(NCC12CCC[NH+]1CCC2)C1(c2cccc(Br)c2)CC(=O)C1 ZINC000614225760 565102608 /nfs/dbraw/zinc/10/26/08/565102608.db2.gz SKGIEMVBNNABCN-UHFFFAOYSA-N 1 0 391.309 2.794 20 0 GFADRO O=C(NCC12CCC[NH+]1CCC2)c1ccn(-c2ccc(Br)cc2)n1 ZINC000614224628 565102885 /nfs/dbraw/zinc/10/28/85/565102885.db2.gz YCCJVYKJBAKTRH-UHFFFAOYSA-N 1 0 389.297 2.993 20 0 GFADRO CN(C)S(=O)(=O)N1CCC[C@@H]([NH2+]Cc2ccc(-c3cccs3)cc2)C1 ZINC000657465193 565103519 /nfs/dbraw/zinc/10/35/19/565103519.db2.gz IBOHXNXSQLCYDO-QGZVFWFLSA-N 1 0 379.551 2.776 20 0 GFADRO OC[C@H](C[NH2+]Cc1cc2n(n1)CCC2)Cc1ccc(F)c(Br)c1 ZINC000657485904 565104518 /nfs/dbraw/zinc/10/45/18/565104518.db2.gz UZWWTFMVZGZRHZ-ZDUSSCGKSA-N 1 0 382.277 2.672 20 0 GFADRO COC(C)(C)[C@@H](C)[NH2+]CC(=O)Nc1ccc(I)cc1 ZINC000585726605 565106257 /nfs/dbraw/zinc/10/62/57/565106257.db2.gz YDWVHBZJLBEAGH-SNVBAGLBSA-N 1 0 376.238 2.633 20 0 GFADRO COC1CC[NH+](CCNC(=O)c2nc3ccccc3cc2Br)CC1 ZINC000685446127 565107040 /nfs/dbraw/zinc/10/70/40/565107040.db2.gz VGUYHIIVHFKETR-UHFFFAOYSA-N 1 0 392.297 2.838 20 0 GFADRO COc1cc(Br)ccc1C[NH2+]CCC1(CS(C)(=O)=O)CC1 ZINC000657548221 565107249 /nfs/dbraw/zinc/10/72/49/565107249.db2.gz SSPAYJWWQPCDGD-UHFFFAOYSA-N 1 0 376.316 2.762 20 0 GFADRO C[N@@H+]1CCC[C@H](N2CCN(Cc3cccc(I)c3)CC2)C1 ZINC000585766174 565111013 /nfs/dbraw/zinc/11/10/13/565111013.db2.gz ITZRCQAPZWPVPH-KRWDZBQOSA-N 1 0 399.320 2.503 20 0 GFADRO CC[NH+](CC)CCS(=O)(=O)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 ZINC000685590213 565113527 /nfs/dbraw/zinc/11/35/27/565113527.db2.gz IQBGDALDRAQIKF-GHMZBOCLSA-N 1 0 384.386 2.721 20 0 GFADRO CCO[C@H]1C[C@](CO)([NH2+]Cc2cn3ccc(Br)cc3n2)C1(C)C ZINC000685621444 565117216 /nfs/dbraw/zinc/11/72/16/565117216.db2.gz VBPHMIPIEGUNCP-WMLDXEAASA-N 1 0 382.302 2.753 20 0 GFADRO CN(C)C(=O)CCCNC(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000636637189 565118214 /nfs/dbraw/zinc/11/82/14/565118214.db2.gz OGBFQOYBDDDYKI-OAHLLOKOSA-N 1 0 389.327 2.764 20 0 GFADRO COc1cc(Br)c(CNC2CC[NH+]([C@H]3CCOC3)CC2)c(OC)c1 ZINC000657750134 565125753 /nfs/dbraw/zinc/12/57/53/565125753.db2.gz AYCKVWWDANIMOJ-AWEZNQCLSA-N 1 0 399.329 2.809 20 0 GFADRO CC(C)(C)N1C[C@@H](C[NH2+]Cc2cc3c(cc2Br)OCO3)CC1=O ZINC000657753545 565125807 /nfs/dbraw/zinc/12/58/07/565125807.db2.gz DBKXPKQYJSBZGI-LLVKDONJSA-N 1 0 383.286 2.914 20 0 GFADRO Brc1cc2c(cc1CNC1CC[NH+]([C@H]3CCOC3)CC1)OCO2 ZINC000657751360 565126092 /nfs/dbraw/zinc/12/60/92/565126092.db2.gz RBFGEOUAUFPGEL-AWEZNQCLSA-N 1 0 383.286 2.521 20 0 GFADRO CCS(=O)(=O)C1(C[NH2+]C2CCN(C(=O)c3ccccc3Cl)CC2)CC1 ZINC000657758882 565127879 /nfs/dbraw/zinc/12/78/79/565127879.db2.gz OJAOTNBFFVQFDN-UHFFFAOYSA-N 1 0 384.929 2.502 20 0 GFADRO O=C(NC[C@H]1CCCC[NH2+]1)N1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000636874128 565129002 /nfs/dbraw/zinc/12/90/02/565129002.db2.gz QPAQHTBCNFSTEA-CVEARBPZSA-N 1 0 382.302 2.674 20 0 GFADRO O=C(NCCC[NH2+][C@@H]1CCCn2nccc21)c1cccc(Br)c1 ZINC000657865378 565134518 /nfs/dbraw/zinc/13/45/18/565134518.db2.gz TWZUGLHKWVOULB-OAHLLOKOSA-N 1 0 377.286 2.890 20 0 GFADRO C[C@@H](NC(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1)c1ncn(C)n1 ZINC000637072907 565136925 /nfs/dbraw/zinc/13/69/25/565136925.db2.gz HVCRYIORTBUNCD-YGRLFVJLSA-N 1 0 385.299 2.785 20 0 GFADRO O=C(Nc1cccc(Br)c1F)C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000657917248 565137496 /nfs/dbraw/zinc/13/74/96/565137496.db2.gz APZXAXBBVLZATO-UHFFFAOYSA-N 1 0 398.276 2.660 20 0 GFADRO CC[NH+]1CCC(N(C)C(=O)CSc2nnc(-c3cccs3)n2C)CC1 ZINC000588706067 565137771 /nfs/dbraw/zinc/13/77/71/565137771.db2.gz CCPCUOVHAYTZSI-UHFFFAOYSA-N 1 0 379.555 2.578 20 0 GFADRO CC[C@H](Cc1ccc(Br)cc1)[NH2+]C[C@H]1CC[C@@H](C(=O)N(C)C)O1 ZINC000657939268 565137822 /nfs/dbraw/zinc/13/78/22/565137822.db2.gz WYFFDXXIAINWHV-ZACQAIPSSA-N 1 0 383.330 2.996 20 0 GFADRO CCC[NH+]1CCC(NC(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CC2)CC1 ZINC000588836027 565141110 /nfs/dbraw/zinc/14/11/10/565141110.db2.gz VQCGBNLDPOHZCU-UHFFFAOYSA-N 1 0 384.929 2.637 20 0 GFADRO C[C@H](Cn1cncn1)[NH2+][C@H](CO)c1ccc(Br)cc1C(F)(F)F ZINC000657999465 565143914 /nfs/dbraw/zinc/14/39/14/565143914.db2.gz INJISBADRJGROU-NOZJJQNGSA-N 1 0 393.207 2.771 20 0 GFADRO C[NH+](C)C[C@@H](NC(=O)NC[C@@]1(C)CCC(=O)N1)c1ccc(Cl)c(Cl)c1 ZINC000637205126 565144689 /nfs/dbraw/zinc/14/46/89/565144689.db2.gz ALISYBKETPCPEA-RHSMWYFYSA-N 1 0 387.311 2.564 20 0 GFADRO CON1CCC(NC(=O)N[C@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)CC1 ZINC000637232292 565147133 /nfs/dbraw/zinc/14/71/33/565147133.db2.gz BRKZNRNNUCXZPO-MRXNPFEDSA-N 1 0 389.327 2.921 20 0 GFADRO C[C@H](Cc1ccc(Cl)c(C(F)(F)F)c1)[NH2+][C@@H]1CCN(S(C)(=O)=O)C1 ZINC000658047061 565147661 /nfs/dbraw/zinc/14/76/61/565147661.db2.gz ORMOIOMIFUSCHO-ZYHUDNBSSA-N 1 0 384.851 2.913 20 0 GFADRO Cc1nc(C)c([C@H](C)[NH2+]CCNC(=O)c2ccc(Br)cn2)s1 ZINC000658091665 565149039 /nfs/dbraw/zinc/14/90/39/565149039.db2.gz HJNLREFGWWKBEV-VIFPVBQESA-N 1 0 383.315 2.998 20 0 GFADRO C[C@@H]([NH2+]CCNC(=O)c1ccc(Br)cn1)c1ccc2c(c1)OCO2 ZINC000658093074 565150210 /nfs/dbraw/zinc/15/02/10/565150210.db2.gz SHOZWHHJPQLTIT-LLVKDONJSA-N 1 0 392.253 2.653 20 0 GFADRO Cc1ccc([C@@H](C)[NH2+]CCNC(=O)c2ccc(Br)cn2)c(C)n1 ZINC000658092751 565150237 /nfs/dbraw/zinc/15/02/37/565150237.db2.gz QPAAUNQCOPTSBM-GFCCVEGCSA-N 1 0 377.286 2.937 20 0 GFADRO Cc1cc(NC(=O)C(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)ccc1Br ZINC000658120115 565150369 /nfs/dbraw/zinc/15/03/69/565150369.db2.gz IVJDLMLLPIIEJX-ZDUSSCGKSA-N 1 0 382.302 2.685 20 0 GFADRO CC[NH+](CC)CCOc1ccc(C(=O)Nc2nn(C)cc2Br)cc1 ZINC000637376404 565153517 /nfs/dbraw/zinc/15/35/17/565153517.db2.gz BXUFARUYCWRHKE-UHFFFAOYSA-N 1 0 395.301 3.156 20 0 GFADRO COc1ncc(Br)cc1CNC(=O)N1CCC([NH2+]C(C)C)CC1 ZINC000637407036 565154275 /nfs/dbraw/zinc/15/42/75/565154275.db2.gz PTHJPOVNTKFIJN-UHFFFAOYSA-N 1 0 385.306 2.525 20 0 GFADRO C[N@@H+]1CCC[C@@H]1[C@H]1COCCN1C(=O)CCc1ccc(Br)cc1F ZINC000615266416 565154897 /nfs/dbraw/zinc/15/48/97/565154897.db2.gz SVSIBDZQUCCQDM-IAGOWNOFSA-N 1 0 399.304 2.842 20 0 GFADRO CC[C@H](C)[N@H+](C)CCNC(=O)[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000589181414 565155190 /nfs/dbraw/zinc/15/51/90/565155190.db2.gz SMJHAUOBAZFHSV-XJKSGUPXSA-N 1 0 396.329 2.649 20 0 GFADRO Cc1ccc(Br)cc1CC(=O)N1CCOC[C@@H]1[C@@H]1CCC[N@H+]1C ZINC000615275683 565155255 /nfs/dbraw/zinc/15/52/55/565155255.db2.gz NKCCRKWCELTAIM-DLBZAZTESA-N 1 0 381.314 2.622 20 0 GFADRO C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)c1ccn(-c2ccc(Br)cc2)n1 ZINC000615302805 565156250 /nfs/dbraw/zinc/15/62/50/565156250.db2.gz OQDMNQIELPCGTP-BLLLJJGKSA-N 1 0 377.286 2.799 20 0 GFADRO COC(=O)[C@H](C)Oc1ccc(C[N@H+](C)CCn2cc(Br)cn2)cc1 ZINC000589210460 565156571 /nfs/dbraw/zinc/15/65/71/565156571.db2.gz DYWXQWAZIFIJPG-ZDUSSCGKSA-N 1 0 396.285 2.718 20 0 GFADRO Cc1c(Br)cccc1NC(=O)C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000658261445 565156951 /nfs/dbraw/zinc/15/69/51/565156951.db2.gz JKKDWDQLQDTLHK-LBPRGKRZSA-N 1 0 382.302 2.685 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccc(Br)c(F)c2)C1 ZINC000658260409 565157469 /nfs/dbraw/zinc/15/74/69/565157469.db2.gz CPXCMXUIMYRTTE-LLVKDONJSA-N 1 0 386.265 2.516 20 0 GFADRO COc1ccc(Br)cc1C(=O)CCC(=O)N1CC[C@@H]([NH+](C)C)[C@H]1C ZINC000615311220 565157986 /nfs/dbraw/zinc/15/79/86/565157986.db2.gz HLZDYZROWVKIRL-IUODEOHRSA-N 1 0 397.313 2.972 20 0 GFADRO C[NH+](C)C[C@H](NC(=O)N1CC[C@H](CC(N)=O)C1)c1ccc(Cl)c(Cl)c1 ZINC000637475736 565159235 /nfs/dbraw/zinc/15/92/35/565159235.db2.gz WNAKPFVLQCFAIS-ABAIWWIYSA-N 1 0 387.311 2.503 20 0 GFADRO CC(=O)N[C@H]1CCN(C(=O)N[C@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)C1 ZINC000637471633 565159348 /nfs/dbraw/zinc/15/93/48/565159348.db2.gz AQPCDVQSCIUDAN-XJKSGUPXSA-N 1 0 387.311 2.516 20 0 GFADRO CN(CCCN1CC[NH+](C)CC1)C(=O)NCc1csc(C(F)(F)F)c1 ZINC000637524921 565159828 /nfs/dbraw/zinc/15/98/28/565159828.db2.gz JHXHUURWIRBKHI-UHFFFAOYSA-N 1 0 378.464 2.546 20 0 GFADRO O=C(NCc1csc(C(F)(F)F)c1)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000637524158 565160116 /nfs/dbraw/zinc/16/01/16/565160116.db2.gz LTBHTHKTGGSEPT-CHWSQXEVSA-N 1 0 377.432 2.508 20 0 GFADRO O=S(=O)(NC[C@H]1CCC[NH2+]1)c1cc(Cl)c(Cl)cc1Br ZINC000658365467 565161126 /nfs/dbraw/zinc/16/11/26/565161126.db2.gz PRFAZESNWACRIV-SSDOTTSWSA-N 1 0 388.114 2.786 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CCCCN1S(=O)(=O)c1cc(Cl)cc(Br)c1 ZINC000658362939 565161895 /nfs/dbraw/zinc/16/18/95/565161895.db2.gz IQVCDXDDUYOSNG-RNCFNFMXSA-N 1 0 381.723 2.993 20 0 GFADRO CCCOc1ccc(Br)cc1S(=O)(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000658369342 565162542 /nfs/dbraw/zinc/16/25/42/565162542.db2.gz WOWMRETZSKACNQ-WCQYABFASA-N 1 0 391.331 2.596 20 0 GFADRO CCCOc1ccc(Br)cc1S(=O)(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000658370180 565162679 /nfs/dbraw/zinc/16/26/79/565162679.db2.gz CVOMKUZKNHHCAA-QWHCGFSZSA-N 1 0 391.331 2.786 20 0 GFADRO CCc1nc(C(=O)N2CC(C[NH+](C)C)C2)nn1-c1c(Cl)cccc1Cl ZINC000615513137 565163863 /nfs/dbraw/zinc/16/38/63/565163863.db2.gz PUDNHIOKJYSJLH-UHFFFAOYSA-N 1 0 382.295 2.770 20 0 GFADRO C[C@H]([NH3+])CNS(=O)(=O)c1ccc(OCc2ccccc2)c(Br)c1 ZINC000658375260 565163995 /nfs/dbraw/zinc/16/39/95/565163995.db2.gz CYXOYUZOJOPTNT-LBPRGKRZSA-N 1 0 399.310 2.654 20 0 GFADRO C[NH+](C)CC1CN(C(=O)CCc2nc(-c3cc(Br)cs3)no2)C1 ZINC000615513154 565164150 /nfs/dbraw/zinc/16/41/50/565164150.db2.gz QBJQESBLJOPXEL-UHFFFAOYSA-N 1 0 399.314 2.513 20 0 GFADRO CCCOc1ccc(Br)cc1S(=O)(=O)N[C@H](C[NH3+])C(C)(C)C ZINC000658381287 565164574 /nfs/dbraw/zinc/16/45/74/565164574.db2.gz FZRSDSAICYJTIC-CQSZACIVSA-N 1 0 393.347 2.890 20 0 GFADRO C[C@H]([NH3+])[C@H](C)NS(=O)(=O)c1cc(Cl)c(Cl)cc1Br ZINC000658380205 565164755 /nfs/dbraw/zinc/16/47/55/565164755.db2.gz IUQHGPHTXHBKHO-WDSKDSINSA-N 1 0 376.103 2.770 20 0 GFADRO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCN(S(=O)(=O)Cc3cc(F)ccc3Cl)C2)C1 ZINC000658383491 565165714 /nfs/dbraw/zinc/16/57/14/565165714.db2.gz IRGJDQXRBAOJQR-XGWLTEMNSA-N 1 0 390.908 2.527 20 0 GFADRO O=S(=O)(NCCC1CC[NH2+]CC1)c1cc(Cl)ccc1OC(F)(F)F ZINC000658385123 565165832 /nfs/dbraw/zinc/16/58/32/565165832.db2.gz WJLMPCSZCKLXQF-UHFFFAOYSA-N 1 0 386.823 2.907 20 0 GFADRO CC1(C)C[NH2+]CC[C@@H]1NS(=O)(=O)c1cc(Cl)cc(Br)c1 ZINC000658381699 565165879 /nfs/dbraw/zinc/16/58/79/565165879.db2.gz ZSGZHIPPSYUIBZ-LBPRGKRZSA-N 1 0 381.723 2.769 20 0 GFADRO CCCOc1ccc(Br)cc1S(=O)(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000658382961 565165897 /nfs/dbraw/zinc/16/58/97/565165897.db2.gz JZOKUJIIZCDKPV-CHWSQXEVSA-N 1 0 391.331 2.786 20 0 GFADRO O=S(=O)(c1c(F)c(F)cc(F)c1F)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000658385956 565165936 /nfs/dbraw/zinc/16/59/36/565165936.db2.gz XBZJCPHMNDUGDV-LLVKDONJSA-N 1 0 380.407 2.643 20 0 GFADRO CCCOc1ccc(Br)cc1S(=O)(=O)N1CC[C@H]([NH3+])C[C@@H]1C ZINC000658384818 565165965 /nfs/dbraw/zinc/16/59/65/565165965.db2.gz LUKUUZNTNQZSAS-AAEUAGOBSA-N 1 0 391.331 2.738 20 0 GFADRO CCCOc1ccc(Br)cc1S(=O)(=O)NCC1([NH3+])CCCC1 ZINC000658390219 565167035 /nfs/dbraw/zinc/16/70/35/565167035.db2.gz DIVFUGAGQBZZHB-UHFFFAOYSA-N 1 0 391.331 2.788 20 0 GFADRO O=S(=O)(c1ncccc1C(F)(F)F)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000658386783 565167255 /nfs/dbraw/zinc/16/72/55/565167255.db2.gz VWPOVGCSZZYFMZ-CYBMUJFWSA-N 1 0 377.432 2.501 20 0 GFADRO O=S(=O)(N[C@@H]1CC[NH2+]C2(CCC2)C1)c1cc(Cl)ccc1OC(F)F ZINC000658402985 565168436 /nfs/dbraw/zinc/16/84/36/565168436.db2.gz WSNQRBYSSXBQBA-LLVKDONJSA-N 1 0 380.844 2.894 20 0 GFADRO C[C@H](CCNC(=O)C(=O)Nc1cc(Br)c(F)cc1Cl)[NH+](C)C ZINC000658424131 565168848 /nfs/dbraw/zinc/16/88/48/565168848.db2.gz LZBDGPYSPKEOKI-MRVPVSSYSA-N 1 0 394.672 2.637 20 0 GFADRO CCOc1c(Cl)cc(NC(=O)C(=O)NCC[C@@H](C)[NH+](C)C)cc1Cl ZINC000658425789 565169125 /nfs/dbraw/zinc/16/91/25/565169125.db2.gz HALKSMQQBMPQET-SNVBAGLBSA-N 1 0 376.284 2.787 20 0 GFADRO C[C@@H](CCNC(=O)C(=O)Nc1ccc(-c2ccc(Cl)s2)nc1)[NH+](C)C ZINC000658425383 565169756 /nfs/dbraw/zinc/16/97/56/565169756.db2.gz DGJNCYZPTLTHMM-NSHDSACASA-N 1 0 380.901 2.858 20 0 GFADRO CSC1(CNC(=O)NC[C@H](CO)c2ccc(Cl)cc2)CC[NH+](C)CC1 ZINC000589714482 565170133 /nfs/dbraw/zinc/17/01/33/565170133.db2.gz NEHTWSFRGPCUOD-OAHLLOKOSA-N 1 0 385.961 2.543 20 0 GFADRO O=C(NCC[NH2+]Cc1cnc2ccccc2n1)c1ccc(Br)cc1 ZINC000589838069 565171664 /nfs/dbraw/zinc/17/16/64/565171664.db2.gz LYXYKWYJMYMVFQ-UHFFFAOYSA-N 1 0 385.265 2.912 20 0 GFADRO C[NH2+]C[C@@H]1CCN(C(=O)c2scc(Br)c2Br)C1 ZINC000637836673 565174394 /nfs/dbraw/zinc/17/43/94/565174394.db2.gz WVOLWNKNUUNNQX-ZETCQYMHSA-N 1 0 382.121 2.955 20 0 GFADRO O=C(c1ccc2cncc(Br)c2n1)N1CCC([NH2+]CC2CC2)CC1 ZINC000637856125 565174550 /nfs/dbraw/zinc/17/45/50/565174550.db2.gz IJAZQWOLVDXZMT-UHFFFAOYSA-N 1 0 389.297 2.997 20 0 GFADRO O=C(Nc1cccc(Br)c1)c1nnn([C@H]2CC[NH2+]C2)c1C(F)F ZINC000637869905 565175131 /nfs/dbraw/zinc/17/51/31/565175131.db2.gz TUKUFDYGZBWOAZ-JTQLQIEISA-N 1 0 386.200 2.765 20 0 GFADRO CC(C)CC[C@@H]([NH3+])C(=O)NCc1nnc2c(Cl)cc(C(F)(F)F)cn12 ZINC000637896101 565175530 /nfs/dbraw/zinc/17/55/30/565175530.db2.gz QIOYPCBYRQQMMB-LLVKDONJSA-N 1 0 377.798 2.781 20 0 GFADRO COc1nsc(CN2CCC[N@H+](C[C@@H]3CCCO3)CC2)c1Br ZINC000637895208 565176005 /nfs/dbraw/zinc/17/60/05/565176005.db2.gz CXBDYRAGYVRCCL-LBPRGKRZSA-N 1 0 390.347 2.601 20 0 GFADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(C)(C)c1ccc(Br)cc1 ZINC000590122580 565178831 /nfs/dbraw/zinc/17/88/31/565178831.db2.gz PRRLRAYBNJSSKO-MRXNPFEDSA-N 1 0 383.330 2.954 20 0 GFADRO COC(=O)[C@@H](NC(=O)C[NH2+][C@@H](C)c1ccc(F)c(Br)c1)C(C)C ZINC000590192824 565180181 /nfs/dbraw/zinc/18/01/81/565180181.db2.gz HEZSZXQDUKVWCH-BONVTDFDSA-N 1 0 389.265 2.553 20 0 GFADRO O=C(N[C@@H]1CCC[NH2+]C1)N1CCc2[nH]c3c(cccc3Br)c2C1 ZINC000637994389 565180615 /nfs/dbraw/zinc/18/06/15/565180615.db2.gz AQFXDQCYBBIMTA-LLVKDONJSA-N 1 0 377.286 2.750 20 0 GFADRO CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N(C)Cc2cc(Cl)cc(Cl)c2)C1 ZINC000658692332 565182966 /nfs/dbraw/zinc/18/29/66/565182966.db2.gz IQQWFABZUFXFFN-MRXNPFEDSA-N 1 0 386.323 2.941 20 0 GFADRO C[NH+](C)CCOc1cccc(CNS(=O)(=O)Cc2ccccc2Cl)c1 ZINC000590297562 565183079 /nfs/dbraw/zinc/18/30/79/565183079.db2.gz LTUJXOOENLSJDX-UHFFFAOYSA-N 1 0 382.913 2.900 20 0 GFADRO [NH3+]C[C@@]1(C(=O)N2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)CCCOC1 ZINC000638293284 565190051 /nfs/dbraw/zinc/19/00/51/565190051.db2.gz LYXIGFOSZQUKMO-NHYWBVRUSA-N 1 0 377.432 2.623 20 0 GFADRO COc1ccc(CC[NH2+]Cc2cnn3cc(Br)cnc23)cc1OC ZINC000638300784 565191094 /nfs/dbraw/zinc/19/10/94/565191094.db2.gz WHJFABIQSJZMQT-UHFFFAOYSA-N 1 0 391.269 2.841 20 0 GFADRO O=C1C[C@@H]([NH2+]CC2(c3cccc(Br)c3)CCOCC2)CCCN1 ZINC000638391072 565193460 /nfs/dbraw/zinc/19/34/60/565193460.db2.gz ONRXISWUMFRASR-INIZCTEOSA-N 1 0 381.314 2.756 20 0 GFADRO COCC1(C(=O)NCC/C=C\c2ccc(Br)cc2)CC[NH2+]CC1 ZINC000638462570 565196700 /nfs/dbraw/zinc/19/67/00/565196700.db2.gz ORMJNCATWDXQKL-RQOWECAXSA-N 1 0 381.314 2.985 20 0 GFADRO O=C(NCC/C=C/c1ccc(Br)cc1)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O ZINC000638463792 565197942 /nfs/dbraw/zinc/19/79/42/565197942.db2.gz XOAYFBWGIQVMPE-PEIZRGNZSA-N 1 0 391.309 2.783 20 0 GFADRO CC(C)(C[NH2+]Cc1ccc(S(N)(=O)=O)o1)c1cccc(Br)c1 ZINC000638480765 565198200 /nfs/dbraw/zinc/19/82/00/565198200.db2.gz ZCIXGDCSYYSSLY-UHFFFAOYSA-N 1 0 387.299 2.757 20 0 GFADRO CSc1ccc(NC(=O)c2cn([C@H]3CCC[NH2+]C3)nn2)cc1Br ZINC000638468536 565198211 /nfs/dbraw/zinc/19/82/11/565198211.db2.gz RSJQJLSTNCKWDZ-NSHDSACASA-N 1 0 396.314 2.939 20 0 GFADRO Cc1ccc(Cl)cc1N1CC[C@@H](C[NH2+]Cc2ccc(S(N)(=O)=O)o2)C1 ZINC000638493523 565199279 /nfs/dbraw/zinc/19/92/79/565199279.db2.gz WTFUJXVWLJJHKR-ZDUSSCGKSA-N 1 0 383.901 2.505 20 0 GFADRO [NH3+]CC12CC(C1)CN2C(=O)Nc1ccn(-c2ccc(Br)cc2)n1 ZINC000659015435 565199356 /nfs/dbraw/zinc/19/93/56/565199356.db2.gz QJHIVCKYYAXDBP-UHFFFAOYSA-N 1 0 376.258 2.590 20 0 GFADRO CC[C@H](Cc1ccc(Br)cc1)NC(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000659026205 565199530 /nfs/dbraw/zinc/19/95/30/565199530.db2.gz ZKUCYEBLMHNCAQ-NEPJUHHUSA-N 1 0 382.224 2.959 20 0 GFADRO COc1cc(Br)ccc1[C@@H]1CCCN1C(=O)c1cnc(C[NH3+])nc1 ZINC000638530481 565200441 /nfs/dbraw/zinc/20/04/41/565200441.db2.gz ULBKHQFNRPIHTO-AWEZNQCLSA-N 1 0 391.269 2.684 20 0 GFADRO Cc1cc(Br)c(Cl)cc1NC(=O)C(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000659088780 565201440 /nfs/dbraw/zinc/20/14/40/565201440.db2.gz PJRNDOAPUHIJTP-RKDXNWHRSA-N 1 0 376.682 2.591 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)COc2cccc(Br)c2)CC[C@H]1C(F)(F)F ZINC000638551274 565201557 /nfs/dbraw/zinc/20/15/57/565201557.db2.gz VJIYOOQNVGFFPQ-ZWNOBZJWSA-N 1 0 395.219 2.814 20 0 GFADRO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)Nc1ccccc1SCC(F)(F)F ZINC000659108172 565201670 /nfs/dbraw/zinc/20/16/70/565201670.db2.gz MJLLKNZYKYXXEE-LLVKDONJSA-N 1 0 377.432 2.769 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)c2[nH]nc(C3CC3)c2Br)CC[C@H]1C(F)(F)F ZINC000638546598 565201717 /nfs/dbraw/zinc/20/17/17/565201717.db2.gz CFBVHPIKNPHQIZ-DTWKUNHWSA-N 1 0 395.223 2.649 20 0 GFADRO Clc1cc(Cl)cc(-c2nnc3ccc(N4C[C@@H]5C[NH2+]C[C@H]5C4)nn32)c1 ZINC000590770005 565202889 /nfs/dbraw/zinc/20/28/89/565202889.db2.gz PWAOPNZXTDYUAA-RYUDHWBXSA-N 1 0 375.263 2.754 20 0 GFADRO C[NH+](C)CC[C@H](N)C(=O)N[C@@H]1CCCSc2ccc(Br)cc21 ZINC000638586344 565203130 /nfs/dbraw/zinc/20/31/30/565203130.db2.gz QKTAYTCAQJWEIU-UONOGXRCSA-N 1 0 386.359 2.771 20 0 GFADRO C[NH2+]CCOCCN(C)C(=O)c1ccc(Br)c(OC(F)(F)F)c1 ZINC000638593107 565204280 /nfs/dbraw/zinc/20/42/80/565204280.db2.gz HUBSMFQHXOTMSA-UHFFFAOYSA-N 1 0 399.207 2.656 20 0 GFADRO C[C@H]([NH2+][C@@H](C)[C@@H]1CN(C)CCO1)c1ccc(F)c(I)c1 ZINC000590778299 565204588 /nfs/dbraw/zinc/20/45/88/565204588.db2.gz SUVWMYHSENQOTH-PGUXBMHVSA-N 1 0 392.256 2.800 20 0 GFADRO O=C(Cc1csc(-c2ccc(Cl)cc2Cl)n1)NC[C@@H]1COCC[NH2+]1 ZINC000638618038 565205293 /nfs/dbraw/zinc/20/52/93/565205293.db2.gz LCURSUCCDCOYNS-GFCCVEGCSA-N 1 0 386.304 2.764 20 0 GFADRO COC(=O)[C@H](c1ccc(Cl)c(Cl)c1)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000616752321 565207808 /nfs/dbraw/zinc/20/78/08/565207808.db2.gz ZMRWVIQSFUXYGK-BBWFWOEESA-N 1 0 387.307 2.739 20 0 GFADRO Cc1nn(C)c(C)c1C[C@@H](C)[NH2+]Cc1cnn2cc(Br)cnc12 ZINC000638696462 565207990 /nfs/dbraw/zinc/20/79/90/565207990.db2.gz CDUQTUQLIRNOJE-SNVBAGLBSA-N 1 0 377.290 2.563 20 0 GFADRO COC(=O)CC[N@@H+](Cc1cccc(Br)c1)Cc1ccn(C)c(=O)c1 ZINC000616794172 565209352 /nfs/dbraw/zinc/20/93/52/565209352.db2.gz WQSUFZQDITZTNL-UHFFFAOYSA-N 1 0 393.281 2.713 20 0 GFADRO O=C(CCc1ccccc1Br)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000638778914 565210324 /nfs/dbraw/zinc/21/03/24/565210324.db2.gz OPMXHKILUWZNRD-QGZVFWFLSA-N 1 0 395.341 2.999 20 0 GFADRO O=C(COc1ccc(Cl)c(Cl)c1)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000638776776 565210797 /nfs/dbraw/zinc/21/07/97/565210797.db2.gz AGSLJUNQHVHJBQ-OAHLLOKOSA-N 1 0 387.307 2.989 20 0 GFADRO [NH3+][C@@H]1CCc2ncc(NC(=O)Cc3ccc(Br)cc3F)cc2C1 ZINC000659301062 565211473 /nfs/dbraw/zinc/21/14/73/565211473.db2.gz DCMQSKUJVKFVGE-CYBMUJFWSA-N 1 0 378.245 2.980 20 0 GFADRO [NH3+]C[C@@H](NC(=O)c1cc(Br)cc2c1OCCO2)C1CCCCC1 ZINC000659298224 565211558 /nfs/dbraw/zinc/21/15/58/565211558.db2.gz XZGXEXFOPXYVKW-CQSZACIVSA-N 1 0 383.286 2.858 20 0 GFADRO COC[C@@]1(CNC(=O)c2cc(-c3ccc(Br)cc3)no2)CCC[NH2+]1 ZINC000659307484 565211735 /nfs/dbraw/zinc/21/17/35/565211735.db2.gz NVRKKAHKLHVIIQ-KRWDZBQOSA-N 1 0 394.269 2.603 20 0 GFADRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)Cc1ccc(Br)c(Br)c1 ZINC000659302228 565211933 /nfs/dbraw/zinc/21/19/33/565211933.db2.gz NSFFWKBXVDYYCL-ONGXEEELSA-N 1 0 390.119 2.950 20 0 GFADRO CN(Cc1ccc(Br)cc1F)C(=O)C1(n2cccn2)CC[NH2+]CC1 ZINC000638829520 565213249 /nfs/dbraw/zinc/21/32/49/565213249.db2.gz UOVKZDPICZAEDH-UHFFFAOYSA-N 1 0 395.276 2.522 20 0 GFADRO COC(=O)C[C@H](NC(=O)C1CC[NH+]([C@H]2CCSC2)CC1)c1cccs1 ZINC000591013946 565213400 /nfs/dbraw/zinc/21/34/00/565213400.db2.gz USFPJKGJGKVBSK-GJZGRUSLSA-N 1 0 382.551 2.686 20 0 GFADRO O=C(C1CC[NH2+]CC1)N1CC2(CCOCC2)c2ccc(Br)cc21 ZINC000638842334 565214191 /nfs/dbraw/zinc/21/41/91/565214191.db2.gz PJEOHDRUNDPGEF-UHFFFAOYSA-N 1 0 379.298 2.844 20 0 GFADRO O=C(N[C@H]1C[NH2+]CC[C@H]1c1cccc(F)c1)c1cncc(Br)c1 ZINC000659350409 565214682 /nfs/dbraw/zinc/21/46/82/565214682.db2.gz WFZZCCBVJUGSAD-HOTGVXAUSA-N 1 0 378.245 2.859 20 0 GFADRO C[C@H](C[C@H]1CCCC(=O)N1)[NH2+]Cc1nnc(-c2ccc(Br)cc2)[nH]1 ZINC000638886221 565215226 /nfs/dbraw/zinc/21/52/26/565215226.db2.gz KCZAHOOCDDHSBW-BXUZGUMPSA-N 1 0 392.301 2.771 20 0 GFADRO [NH3+]CCCn1cc(C(=O)N[C@@H]2CCCCc3cc(Br)ccc32)nn1 ZINC000659382789 565216075 /nfs/dbraw/zinc/21/60/75/565216075.db2.gz ATFJLAUAPVWEQI-OAHLLOKOSA-N 1 0 392.301 2.587 20 0 GFADRO C[C@H]1C[C@H]([NH3+])CN1C(=O)c1cccc(NC(=O)c2ccc(Br)o2)c1 ZINC000638938842 565218004 /nfs/dbraw/zinc/21/80/04/565218004.db2.gz KWZGWKJTCAYPDV-JQWIXIFHSA-N 1 0 392.253 2.856 20 0 GFADRO C[C@@H]1C[C@H]([NH3+])CN1C(=O)Cc1ccc(Br)c(Br)c1 ZINC000638931101 565218076 /nfs/dbraw/zinc/21/80/76/565218076.db2.gz NTQJYFHKHLNMJW-SCZZXKLOSA-N 1 0 376.092 2.702 20 0 GFADRO O=C(N[C@@H]1CCC[NH2+]CC1)N1CCOC[C@@H]1c1ccc(Br)cc1 ZINC000659537544 565220224 /nfs/dbraw/zinc/22/02/24/565220224.db2.gz SJKWLODBTLZWHC-HZPDHXFCSA-N 1 0 382.302 2.674 20 0 GFADRO CC[C@H](Cc1ccc(Br)cc1)NC(=O)NC[C@]1(COC)CCC[NH2+]1 ZINC000659542387 565220336 /nfs/dbraw/zinc/22/03/36/565220336.db2.gz NSVJXFQFNRZSQV-AEFFLSMTSA-N 1 0 398.345 2.838 20 0 GFADRO [NH3+][C@H]1CC[C@H](NC(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000639026797 565220855 /nfs/dbraw/zinc/22/08/55/565220855.db2.gz MGSYWGIGNPMJBH-JYJNAYRXSA-N 1 0 384.307 2.984 20 0 GFADRO COC(=O)c1cc(NC(=O)N[C@@H]2CC[NH2+][C@@H](C)C2)c(Br)cc1F ZINC000591287327 565221850 /nfs/dbraw/zinc/22/18/50/565221850.db2.gz OABADYCTQFTAIT-DTWKUNHWSA-N 1 0 388.237 2.637 20 0 GFADRO COC(=O)c1cc(NC(=O)NC2(C[NH3+])CCCC2)c(Br)cc1F ZINC000591287455 565221914 /nfs/dbraw/zinc/22/19/14/565221914.db2.gz ZCVVUZHJBPJDPP-UHFFFAOYSA-N 1 0 388.237 2.768 20 0 GFADRO CC[C@@H]1CN(C(=O)Nc2ccc(Br)c(C(=O)OC)c2)CC[C@@H]1[NH3+] ZINC000591295373 565222613 /nfs/dbraw/zinc/22/26/13/565222613.db2.gz OPNGWGQVLDWLIP-YGRLFVJLSA-N 1 0 384.274 2.827 20 0 GFADRO O=C1Nc2ccccc2[C@]12CC[N@@H+](Cc1cnn3cc(Br)cnc13)C2 ZINC000639069398 565222627 /nfs/dbraw/zinc/22/26/27/565222627.db2.gz SWRAVXJYKUEADS-GOSISDBHSA-N 1 0 398.264 2.588 20 0 GFADRO COCCN(CC[NH+](C)C)C(=O)[C@@H](C)Oc1ccc(C)cc1Br ZINC000591302161 565222737 /nfs/dbraw/zinc/22/27/37/565222737.db2.gz MSVMZEOMTBZXRK-CQSZACIVSA-N 1 0 387.318 2.561 20 0 GFADRO O=C1C[C@H]([NH2+]Cc2cnn3cc(Br)cnc23)CN1C1CCCCC1 ZINC000639059442 565223205 /nfs/dbraw/zinc/22/32/05/565223205.db2.gz KSTJURIZKLRJGR-AWEZNQCLSA-N 1 0 392.301 2.515 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+]CC2(CCOCc3ccccc3)CC2)s1 ZINC000639055562 565223439 /nfs/dbraw/zinc/22/34/39/565223439.db2.gz YBVPFPROQRKTLK-UHFFFAOYSA-N 1 0 380.535 2.872 20 0 GFADRO CNS(=O)(=O)c1ccc(C[N@@H+](Cc2cccs2)C[C@H]2CCCO2)cc1 ZINC000659830242 565225303 /nfs/dbraw/zinc/22/53/03/565225303.db2.gz FWZOHBRZVIDBIA-MRXNPFEDSA-N 1 0 380.535 2.837 20 0 GFADRO CO[C@@H](C[NH+]1CCN(Cc2ccc(Br)s2)CC1)[C@@H]1CCOC1 ZINC000659832528 565225536 /nfs/dbraw/zinc/22/55/36/565225536.db2.gz UTADDEVTNGOGNA-HIFRSBDPSA-N 1 0 389.359 2.680 20 0 GFADRO Cc1cc(CNC(=O)N[C@@H]2CCC[NH2+]CC2)ccc1I ZINC000591357824 565227386 /nfs/dbraw/zinc/22/73/86/565227386.db2.gz DIXHJQCGKRGZFI-CYBMUJFWSA-N 1 0 387.265 2.541 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+][C@]2(Cc3ccc(Cl)cc3)CCOC2)s1 ZINC000639140282 565228668 /nfs/dbraw/zinc/22/86/68/565228668.db2.gz URKADNKSHDNAQB-INIZCTEOSA-N 1 0 386.926 2.540 20 0 GFADRO COCCc1ncc(C[N@@H+]2CCC[C@H](CNC(=O)CC(F)(F)F)C2)s1 ZINC000639157527 565229922 /nfs/dbraw/zinc/22/99/22/565229922.db2.gz PBDFHPRWLFKNFG-GFCCVEGCSA-N 1 0 379.448 2.613 20 0 GFADRO C[N@@H+]1CC[C@@H](C(=O)N2CCC(C(=O)Nc3ccccc3Br)CC2)C1 ZINC000591453043 565230819 /nfs/dbraw/zinc/23/08/19/565230819.db2.gz SCCJWETUCICLCD-CQSZACIVSA-N 1 0 394.313 2.578 20 0 GFADRO CCn1ccnc1[C@H](NC[C@H](C)[NH3+])c1ccc(I)cc1 ZINC000591581397 565233604 /nfs/dbraw/zinc/23/36/04/565233604.db2.gz UMXKAXSAJHDWAN-SMDDNHRTSA-N 1 0 384.265 2.534 20 0 GFADRO CC[NH+](CC)[C@H]1CCN(CC(=O)c2c[nH]c3ncc(Br)cc23)C1 ZINC000659968609 565236536 /nfs/dbraw/zinc/23/65/36/565236536.db2.gz IPKJYCNTXDNLCD-ZDUSSCGKSA-N 1 0 379.302 2.924 20 0 GFADRO C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)C1 ZINC000617414797 565236687 /nfs/dbraw/zinc/23/66/87/565236687.db2.gz QQPRZDZUNRPKEV-HOTGVXAUSA-N 1 0 384.307 2.808 20 0 GFADRO NS(=O)(=O)c1ccc(C[N@@H+]2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)s1 ZINC000639256494 565236670 /nfs/dbraw/zinc/23/66/70/565236670.db2.gz IRVKJDGOZUIKIU-LBPRGKRZSA-N 1 0 398.472 2.577 20 0 GFADRO C[NH+](C)C1CCC2(CC1)CCN(S(=O)(=O)c1cc(Cl)cnc1N)CC2 ZINC000660007458 565237360 /nfs/dbraw/zinc/23/73/60/565237360.db2.gz KQLLXJMXPYSVFF-UHFFFAOYSA-N 1 0 386.949 2.592 20 0 GFADRO Cc1cc(Br)c(S(=O)(=O)N2CCCC[C@@H]2C[NH+](C)C)s1 ZINC000660008605 565237393 /nfs/dbraw/zinc/23/73/93/565237393.db2.gz DFJFKDWPPJXOMJ-LLVKDONJSA-N 1 0 381.361 2.924 20 0 GFADRO C[NH+](C)C[C@H]1CCCCN1S(=O)(=O)Cc1ccc(Br)c(F)c1 ZINC000660008409 565237625 /nfs/dbraw/zinc/23/76/25/565237625.db2.gz AWNINBPBOMEVBB-CYBMUJFWSA-N 1 0 393.322 2.834 20 0 GFADRO C[NH+](C)C[C@@H]1CCCCN1S(=O)(=O)Cc1ccccc1Br ZINC000660009754 565237643 /nfs/dbraw/zinc/23/76/43/565237643.db2.gz ZYEIHJGPZAAWFL-AWEZNQCLSA-N 1 0 375.332 2.695 20 0 GFADRO CSC[C@H](O)C[NH2+][C@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O ZINC000591758677 565238510 /nfs/dbraw/zinc/23/85/10/565238510.db2.gz IGSJNUJHEFALCB-CABCVRRESA-N 1 0 376.444 2.510 20 0 GFADRO COc1nsc(C[NH2+]C[C@@H]2CC(=O)N(C(C)(C)C)C2)c1Br ZINC000639329245 565239064 /nfs/dbraw/zinc/23/90/64/565239064.db2.gz WLCWZGPEHXATPB-VIFPVBQESA-N 1 0 376.320 2.651 20 0 GFADRO Cn1cc(C[C@H]2CCC[C@@H]2[NH2+]Cc2cnn3cc(Br)cnc23)cn1 ZINC000639314933 565239474 /nfs/dbraw/zinc/23/94/74/565239474.db2.gz AZJNPAVOQSRAFK-CJNGLKHVSA-N 1 0 389.301 2.726 20 0 GFADRO O=C(Nc1ccc(Br)cn1)[C@H]1CCC[N@@H+]([C@@H]2CCCC[C@H]2O)C1 ZINC000660032807 565240978 /nfs/dbraw/zinc/24/09/78/565240978.db2.gz AAFLOZZNWMIWNS-NWANDNLSSA-N 1 0 382.302 2.798 20 0 GFADRO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)Cc1ccc(F)c(Br)c1 ZINC000617504789 565242805 /nfs/dbraw/zinc/24/28/05/565242805.db2.gz KLZZQHHCOKLCCH-ZDUSSCGKSA-N 1 0 388.325 2.519 20 0 GFADRO C[C@H]1OCC[C@@H]1C[NH+]1CCC(C(=O)Nc2ccc(Br)cn2)CC1 ZINC000639523057 565249895 /nfs/dbraw/zinc/24/98/95/565249895.db2.gz TZDHOLCGBPTLCM-TZMCWYRMSA-N 1 0 382.302 2.920 20 0 GFADRO Cc1ncc(CNC(=O)CC[NH2+][C@H](CO)c2cccc(Br)c2)s1 ZINC000639596247 565250998 /nfs/dbraw/zinc/25/09/98/565250998.db2.gz JTHNTLMWUYCKGG-OAHLLOKOSA-N 1 0 398.326 2.544 20 0 GFADRO O=C(NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1ccc(Br)o1 ZINC000617696043 565251807 /nfs/dbraw/zinc/25/18/07/565251807.db2.gz ASYJIHNNCMEPJI-CQSZACIVSA-N 1 0 379.254 2.539 20 0 GFADRO CCC[N@H+](C)CC(C)(C)NS(=O)(=O)c1cc(OC)c(OC)cc1Cl ZINC000660108294 565253873 /nfs/dbraw/zinc/25/38/73/565253873.db2.gz UHJCHJFGNKDTQZ-UHFFFAOYSA-N 1 0 378.922 2.756 20 0 GFADRO COCC[N@@H+]1CCC[C@@H](NC(=O)CCOc2ccc(Cl)cc2Cl)C1 ZINC000592096079 565256237 /nfs/dbraw/zinc/25/62/37/565256237.db2.gz MLNDAUBJZRPZJU-CQSZACIVSA-N 1 0 375.296 2.989 20 0 GFADRO Cc1ccc(-n2cnnc2SCC(=O)NCC[C@@H](C)[NH+](C)C)cc1Cl ZINC000617748357 565257560 /nfs/dbraw/zinc/25/75/60/565257560.db2.gz QZDFITJTYSXCFC-CYBMUJFWSA-N 1 0 381.933 2.778 20 0 GFADRO CN(CCC[NH+](C)C)CCNC(=O)c1cc(Cl)cc(Br)c1 ZINC000617765757 565258493 /nfs/dbraw/zinc/25/84/93/565258493.db2.gz PAQMLZIPJPDBDR-UHFFFAOYSA-N 1 0 376.726 2.716 20 0 GFADRO CN(CCC[NH+](C)C)CCNC(=O)c1cc2cc(Br)ccc2o1 ZINC000617767738 565258782 /nfs/dbraw/zinc/25/87/82/565258782.db2.gz AMUDPUIOISOZFF-UHFFFAOYSA-N 1 0 382.302 2.809 20 0 GFADRO COC(=O)[C@@H]1C[N@H+](CCC(=O)Nc2ccc(Br)cc2F)C[C@H]1C ZINC000592129865 565259662 /nfs/dbraw/zinc/25/96/62/565259662.db2.gz HBUHPUUPIBBPFW-ZYHUDNBSSA-N 1 0 387.249 2.658 20 0 GFADRO C[C@H]1CCCN1C(=O)CC[N@@H+]1CC[C@H](Oc2cncc(Br)c2)C1 ZINC000639771186 565259640 /nfs/dbraw/zinc/25/96/40/565259640.db2.gz BNNPJTMXIHCUGV-ZFWWWQNUSA-N 1 0 382.302 2.698 20 0 GFADRO C[C@H]1[NH2+]CC[C@@H]1C(=O)NCCSCCOc1cccc(Br)c1 ZINC000592140770 565260850 /nfs/dbraw/zinc/26/08/50/565260850.db2.gz XKORFXQVJMTZFO-DOMZBBRYSA-N 1 0 387.343 2.675 20 0 GFADRO C[NH+](C)CCC[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2Cl)CCO1 ZINC000660158151 565261566 /nfs/dbraw/zinc/26/15/66/565261566.db2.gz UFWLCKDJTFAQJC-CYBMUJFWSA-N 1 0 381.325 2.725 20 0 GFADRO Cn1cc(C2=CCC[N@H+](C[C@H](O)COc3ccc(Br)cc3)C2)cn1 ZINC000639793514 565261779 /nfs/dbraw/zinc/26/17/79/565261779.db2.gz MFUSWRXXOKKNPN-KRWDZBQOSA-N 1 0 392.297 2.712 20 0 GFADRO CCO[C@@H]1C[C@@H]([NH2+]CC(=O)Nc2cc(OC)c(Cl)cc2OC)[C@@H]1SC ZINC000592173935 565262112 /nfs/dbraw/zinc/26/21/12/565262112.db2.gz BCQZSNHDEPEWSN-VMGRFDJRSA-N 1 0 388.917 2.794 20 0 GFADRO O=S(=O)(NC[C@H]1CCC[N@H+](CC2CC2)C1)c1ccc(Br)cc1 ZINC000660177900 565263725 /nfs/dbraw/zinc/26/37/25/565263725.db2.gz FQNLERRQZQJTNT-CQSZACIVSA-N 1 0 387.343 2.849 20 0 GFADRO O=S(=O)(NC[C@H]1CCC[N@H+](CC2CC2)C1)c1cnccc1C(F)(F)F ZINC000660177839 565264267 /nfs/dbraw/zinc/26/42/67/565264267.db2.gz BGXHCDJXUMXEDR-CYBMUJFWSA-N 1 0 377.432 2.501 20 0 GFADRO O=C(C[N@@H+]1CCC[C@@H](n2ccnn2)CC1)Nc1ccc(Br)cc1 ZINC000639841930 565265160 /nfs/dbraw/zinc/26/51/60/565265160.db2.gz KPDHZOARZSJVFE-OAHLLOKOSA-N 1 0 378.274 2.706 20 0 GFADRO COc1cc(NC(=O)N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)ncc1Br ZINC000639965285 565271056 /nfs/dbraw/zinc/27/10/56/565271056.db2.gz OQLSMHFFYFLHKK-NEPJUHHUSA-N 1 0 383.290 2.943 20 0 GFADRO CC1([NH+]2CCCC2)CCN([C@H](C(N)=O)c2cccc(Br)c2)CC1 ZINC000639983610 565271826 /nfs/dbraw/zinc/27/18/26/565271826.db2.gz KOTMNNZKUZLDIQ-INIZCTEOSA-N 1 0 380.330 2.926 20 0 GFADRO CCC1([NH+](C)C)CCN(Cc2nnnn2-c2ccccc2Br)CC1 ZINC000640017674 565274343 /nfs/dbraw/zinc/27/43/43/565274343.db2.gz IJMFFXVMUHOABN-UHFFFAOYSA-N 1 0 393.333 2.731 20 0 GFADRO O=C(CCOc1ccc(Cl)cc1Cl)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000592412482 565275240 /nfs/dbraw/zinc/27/52/40/565275240.db2.gz PMEMWYJFECWJSR-JKSUJKDBSA-N 1 0 387.307 2.820 20 0 GFADRO COc1ncc(Br)cc1CN1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC000660429748 565275293 /nfs/dbraw/zinc/27/52/93/565275293.db2.gz OORINQBFZVLSBC-CYBMUJFWSA-N 1 0 384.318 2.538 20 0 GFADRO O=C(NCc1cc(Br)cs1)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000660422130 565275314 /nfs/dbraw/zinc/27/53/14/565275314.db2.gz CLZJDTIEKDPJHM-CYBMUJFWSA-N 1 0 388.331 2.563 20 0 GFADRO CN1CC(=O)N(CC[NH+]2CCC(c3cccc(Br)c3)CC2)C1=O ZINC000660470254 565277857 /nfs/dbraw/zinc/27/78/57/565277857.db2.gz SXEMJNPOQYOIPF-UHFFFAOYSA-N 1 0 380.286 2.523 20 0 GFADRO C[C@@H](NC(=O)c1cnn2c1[C@H](C[NH3+])CCC2)c1cccc(Br)c1 ZINC000592486143 565278862 /nfs/dbraw/zinc/27/88/62/565278862.db2.gz SMIJEYFHFGCDKX-YPMHNXCESA-N 1 0 377.286 2.973 20 0 GFADRO Cc1ccc(SCCNC(=O)C[NH2+][C@@H](C(C)C)[C@H](O)C(F)(F)F)cc1 ZINC000660528155 565281027 /nfs/dbraw/zinc/28/10/27/565281027.db2.gz KBRVZVIYYYEEDR-HOTGVXAUSA-N 1 0 378.460 2.741 20 0 GFADRO [NH3+]C[C@H]1CCCn2ncc(C(=O)NC3(c4cccc(Br)c4)CC3)c21 ZINC000592535562 565281233 /nfs/dbraw/zinc/28/12/33/565281233.db2.gz UWJDPBKBPCGRQG-GFCCVEGCSA-N 1 0 389.297 2.901 20 0 GFADRO O=C(C[N@H+]1CC[C@H](O)C12CCCC2)c1c[nH]c2ncc(Br)cc12 ZINC000660628863 565285625 /nfs/dbraw/zinc/28/56/25/565285625.db2.gz PEKXPGUQYMMIOH-HNNXBMFYSA-N 1 0 378.270 2.888 20 0 GFADRO Cc1cc(Br)ccc1CNC(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000660635543 565286821 /nfs/dbraw/zinc/28/68/21/565286821.db2.gz IKADUKGAMXRRMF-KRWDZBQOSA-N 1 0 396.329 2.810 20 0 GFADRO COCC[N@@H+]1CC[C@@H](NC(=O)N2CC[C@H]2c2ccc(Br)cc2)C1 ZINC000660705591 565289114 /nfs/dbraw/zinc/28/91/14/565289114.db2.gz HMNFWTDLASHZGU-CVEARBPZSA-N 1 0 382.302 2.626 20 0 GFADRO C[NH+](C)CCCNC(=O)NCc1ccc(Cl)cc1I ZINC000618338458 565290900 /nfs/dbraw/zinc/29/09/00/565290900.db2.gz BGXWPZSUZSQRKO-UHFFFAOYSA-N 1 0 395.672 2.696 20 0 GFADRO C[C@@H](CCNC(=O)Nc1cc(N2CCOCC2)ccc1Br)[NH+](C)C ZINC000640237794 565291777 /nfs/dbraw/zinc/29/17/77/565291777.db2.gz RYEBOODCGFJLIZ-ZDUSSCGKSA-N 1 0 399.333 2.747 20 0 GFADRO COc1c(Br)ccc(F)c1C(=O)N1C[C@@H]([NH+](C)C)[C@@H](SC)C1 ZINC000592780990 565294750 /nfs/dbraw/zinc/29/47/50/565294750.db2.gz UMVAISJASFOZAQ-NEPJUHHUSA-N 1 0 391.306 2.714 20 0 GFADRO C[NH+](C)[C@@]1(CNC(=O)NC[C@H](OC2CCCC2)C(F)(F)F)CCSC1 ZINC000660823723 565294859 /nfs/dbraw/zinc/29/48/59/565294859.db2.gz HYRBHLOAZXBRSY-DZGCQCFKSA-N 1 0 383.480 2.613 20 0 GFADRO [NH3+][C@@H](CNC(=O)N1CCc2[nH]c3c(cccc3Br)c2C1)C1CC1 ZINC000640293838 565295232 /nfs/dbraw/zinc/29/52/32/565295232.db2.gz BLMYGHDTQJMOBG-AWEZNQCLSA-N 1 0 377.286 2.735 20 0 GFADRO O=C(C[N@H+]1C[C@@H]2CC[C@H](O)C[C@H]2C1)c1c[nH]c2ncc(Br)cc12 ZINC000660810180 565295727 /nfs/dbraw/zinc/29/57/27/565295727.db2.gz ZTALGPDPVAPBOM-GVXVVHGQSA-N 1 0 378.270 2.601 20 0 GFADRO C[NH+](C)[C@@]1(CNC(=O)NCc2cc(F)ccc2OC(F)F)CCSC1 ZINC000660824406 565295872 /nfs/dbraw/zinc/29/58/72/565295872.db2.gz NHRGXRBEUQHHSZ-MRXNPFEDSA-N 1 0 377.432 2.664 20 0 GFADRO C[N@@H+]1CC[C@H](CNC(=O)NCCOCCF)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000660966138 565300366 /nfs/dbraw/zinc/30/03/66/565300366.db2.gz NCCDASJUVAJUSB-CJNGLKHVSA-N 1 0 375.847 2.757 20 0 GFADRO OCC1([C@H]([NH2+]CCOc2ccccc2Br)C2CC2)CCOCC1 ZINC000661078866 565305689 /nfs/dbraw/zinc/30/56/89/565305689.db2.gz BRJFAYCTIRVSAP-QGZVFWFLSA-N 1 0 384.314 2.985 20 0 GFADRO Brc1cccc(-c2noc(CN3CC[C@H](Cn4ccnn4)C3)n2)c1 ZINC000661148037 565309446 /nfs/dbraw/zinc/30/94/46/565309446.db2.gz WYFWYECQNOOIMM-LBPRGKRZSA-N 1 0 389.257 2.613 20 0 GFADRO Ic1ccc(CN2CCC[C@@H]2C[NH2+]C2CSC2)cc1 ZINC000619434407 565341317 /nfs/dbraw/zinc/34/13/17/565341317.db2.gz XJAXAEMDERDWCS-OAHLLOKOSA-N 1 0 388.318 2.961 20 0 GFADRO COC(=O)[C@@H]1C[N@H+](CC(=O)Nc2ccc(Br)cc2C)C[C@H]1C1CC1 ZINC000593131524 565314952 /nfs/dbraw/zinc/31/49/52/565314952.db2.gz NKEMUYBQEKJFHL-LSDHHAIUSA-N 1 0 395.297 2.827 20 0 GFADRO CO[C@@H]1CCC[C@H]([C@H](CO)[NH2+]C[C@@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000661217358 565315104 /nfs/dbraw/zinc/31/51/04/565315104.db2.gz IDNKWKCPKNOKKA-CFAJVAMVSA-N 1 0 392.323 2.889 20 0 GFADRO CC(=O)N[C@@H](CC(=O)N[C@H](C)C[N@@H+](C)C(C)C)c1ccc(Br)cc1 ZINC000640704203 565321374 /nfs/dbraw/zinc/32/13/74/565321374.db2.gz MXMMJFUXSKWXAJ-DYVFJYSZSA-N 1 0 398.345 2.861 20 0 GFADRO O=C(NCC1=CC[NH2+]CC1)N1CCc2[nH]c3ccc(Br)cc3c2C1 ZINC000640746793 565323449 /nfs/dbraw/zinc/32/34/49/565323449.db2.gz FIBBOMCVIMHWBC-UHFFFAOYSA-N 1 0 389.297 2.918 20 0 GFADRO C[C@@]12COC[C@]1(C)C[N@@H+](C[C@@H](O)COc1cc(F)cc(Br)c1)C2 ZINC000661490965 565326068 /nfs/dbraw/zinc/32/60/68/565326068.db2.gz MCARTYMCXJPBOD-OIISXLGYSA-N 1 0 388.277 2.686 20 0 GFADRO Cc1ccc(NC(=O)Cn2cc(C[C@@H]3CCC[NH2+]C3)nn2)c(Br)c1 ZINC000640772299 565326942 /nfs/dbraw/zinc/32/69/42/565326942.db2.gz WBUQCTJFAZUFDD-ZDUSSCGKSA-N 1 0 392.301 2.530 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)N2CCC(n3cc(Br)cn3)CC2)C1 ZINC000661505866 565327314 /nfs/dbraw/zinc/32/73/14/565327314.db2.gz MNSJDEDDNXWMHW-AWEZNQCLSA-N 1 0 398.349 2.865 20 0 GFADRO [NH3+][C@H](c1cn(CCOc2cccc(Br)c2)nn1)C1CCOCC1 ZINC000640796729 565328211 /nfs/dbraw/zinc/32/82/11/565328211.db2.gz LHUKEZYOVNQMIF-INIZCTEOSA-N 1 0 381.274 2.546 20 0 GFADRO C[C@H](NC(=O)C[N@@H+]1CC[C@H]2NC(=O)CC[C@H]2C1)c1ccc(Cl)c(Cl)c1 ZINC000661601705 565330658 /nfs/dbraw/zinc/33/06/58/565330658.db2.gz DWTXCWJSKKTVPS-DETPVDSQSA-N 1 0 384.307 2.771 20 0 GFADRO C[C@@H](NC(=O)Cn1cc([C@@H]2CCC[NH2+]C2)nn1)c1ccc(Cl)c(Cl)c1 ZINC000640848525 565331121 /nfs/dbraw/zinc/33/11/21/565331121.db2.gz QOYNTAYVAKOFJY-DGCLKSJQSA-N 1 0 382.295 2.929 20 0 GFADRO C[C@@]1(Cc2ccc(OC(F)(F)F)cc2)CCC[N@@H+]1CCCS(N)(=O)=O ZINC000661616420 565331986 /nfs/dbraw/zinc/33/19/86/565331986.db2.gz SCZKTAFWPAOBFC-HNNXBMFYSA-N 1 0 380.432 2.661 20 0 GFADRO COc1ccc(Br)cc1Cn1cc([C@@H]([NH3+])C2CCOCC2)nn1 ZINC000640876088 565333859 /nfs/dbraw/zinc/33/38/59/565333859.db2.gz BRSMVSVYPNOGGI-INIZCTEOSA-N 1 0 381.274 2.524 20 0 GFADRO Cn1cc(C[C@@H]2CCC[C@@H]2[NH2+][C@@H](C(N)=O)c2cccc(Br)c2)cn1 ZINC000661776539 565338188 /nfs/dbraw/zinc/33/81/88/565338188.db2.gz AEMLEOSVQLXSBD-RRQGHBQHSA-N 1 0 391.313 2.710 20 0 GFADRO CC[NH2+]Cc1ccn(Cc2cn(Cc3csc(Br)c3)nn2)n1 ZINC000640959884 565340304 /nfs/dbraw/zinc/34/03/04/565340304.db2.gz JRFMKOAIJGPJRV-UHFFFAOYSA-N 1 0 381.303 2.505 20 0 GFADRO O=C(CC[N@@H+]1CC[C@H](CN2CCCC2=O)C1)Nc1ccc(Br)cc1 ZINC000662051665 565347878 /nfs/dbraw/zinc/34/78/78/565347878.db2.gz CWHUWWYKNBADTL-AWEZNQCLSA-N 1 0 394.313 2.722 20 0 GFADRO [NH3+][C@H](c1cn(Cc2ccc(Br)c(F)c2F)nn1)C1CCOCC1 ZINC000641170376 565352465 /nfs/dbraw/zinc/35/24/65/565352465.db2.gz ZQFBULSQFUKHIA-HNNXBMFYSA-N 1 0 387.228 2.794 20 0 GFADRO C[C@H](C(=O)Nc1cccc(Cl)c1Cl)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000662154209 565353140 /nfs/dbraw/zinc/35/31/40/565353140.db2.gz FKRLTQGDJNEZGA-TZMCWYRMSA-N 1 0 386.323 2.851 20 0 GFADRO O[C@@H](COc1cc(Cl)cc(Cl)c1)Cn1cc(C[C@@H]2CCC[NH2+]C2)nn1 ZINC000641220331 565354186 /nfs/dbraw/zinc/35/41/86/565354186.db2.gz NJLSYGYFGDLZFS-BLLLJJGKSA-N 1 0 385.295 2.567 20 0 GFADRO O[C@]1(CC[NH2+]Cc2c(F)ccc(I)c2F)CCCOC1 ZINC000593687540 565355790 /nfs/dbraw/zinc/35/57/90/565355790.db2.gz IAOUMEIDDXDKMI-AWEZNQCLSA-N 1 0 397.203 2.591 20 0 GFADRO CC[C@@H]([NH2+][C@@H](C)C(=O)NCCF)c1ccc(I)cc1 ZINC000619724522 565356634 /nfs/dbraw/zinc/35/66/34/565356634.db2.gz DPAYPPGZOCQSTR-GXFFZTMASA-N 1 0 378.229 2.806 20 0 GFADRO C[NH+](C)CCCNC(=O)NCc1ccc(I)c(Cl)c1 ZINC000619733228 565357696 /nfs/dbraw/zinc/35/76/96/565357696.db2.gz PJKCRVIGAAUNNH-UHFFFAOYSA-N 1 0 395.672 2.696 20 0 GFADRO [NH3+]CC1(O)CCN(Cc2cccc(OCC(F)(F)F)c2Br)CC1 ZINC000662283356 565359047 /nfs/dbraw/zinc/35/90/47/565359047.db2.gz MPPUDPSUWARMRQ-UHFFFAOYSA-N 1 0 397.235 2.676 20 0 GFADRO [NH3+][C@@H]1CCc2ccccc2N(Cc2nnnn2-c2ccccc2Br)C1 ZINC000662301500 565359072 /nfs/dbraw/zinc/35/90/72/565359072.db2.gz GFCHMIYEHAPKHC-CQSZACIVSA-N 1 0 399.296 2.705 20 0 GFADRO O=C(NCCC1CC[NH2+]CC1)Nc1ccc(F)cc1I ZINC000593759078 565359573 /nfs/dbraw/zinc/35/95/73/565359573.db2.gz HHTPNJOCJHHZAL-UHFFFAOYSA-N 1 0 391.228 2.942 20 0 GFADRO [NH3+][C@@H]1CN(CC(=O)Nc2ccc(Br)c(C(F)(F)F)c2)CC[C@H]1F ZINC000662322063 565360119 /nfs/dbraw/zinc/36/01/19/565360119.db2.gz QJSIRHDZTJSFEZ-VXGBXAGGSA-N 1 0 398.198 2.778 20 0 GFADRO CCC[N@@H+]1CC[C@H](NC(=O)C[C@H](NC(C)=O)c2ccc(Br)cc2)C1 ZINC000619893355 565361969 /nfs/dbraw/zinc/36/19/69/565361969.db2.gz GVAZBHXRXOCHQW-IRXDYDNUSA-N 1 0 396.329 2.617 20 0 GFADRO CN[C@H](C(=O)N1CCN(c2cc[nH+]cc2)CC1)c1cccc(Cl)c1Cl ZINC000662357229 565362975 /nfs/dbraw/zinc/36/29/75/565362975.db2.gz UIAITRJFAIIXQF-KRWDZBQOSA-N 1 0 379.291 2.998 20 0 GFADRO CN(CC[NH+]1CCCCC1)C(=O)c1ccc(I)cc1F ZINC000593882655 565365955 /nfs/dbraw/zinc/36/59/55/565365955.db2.gz JLOFIOLVUXYXHQ-UHFFFAOYSA-N 1 0 390.240 2.988 20 0 GFADRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1sc2c(c1Br)CNC2 ZINC000662403448 565366219 /nfs/dbraw/zinc/36/62/19/565366219.db2.gz MCRSTTYAEQQYAO-QWRGUYRKSA-N 1 0 386.359 2.964 20 0 GFADRO COC(=O)C[C@H](NC(=O)[C@@H]1CCC[NH2+]CC1)c1ccc(Br)cc1 ZINC000593901970 565366452 /nfs/dbraw/zinc/36/64/52/565366452.db2.gz LZRKNRLWKMTGOM-HIFRSBDPSA-N 1 0 383.286 2.559 20 0 GFADRO C[C@H]1CN(C(=O)Cc2ccc(Br)c(Br)c2)CC[NH2+]1 ZINC000662419262 565366575 /nfs/dbraw/zinc/36/65/75/565366575.db2.gz XLCZLXAWNJLNEE-VIFPVBQESA-N 1 0 376.092 2.574 20 0 GFADRO O=C(c1sc2c(c1Br)CNC2)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000662451518 565368579 /nfs/dbraw/zinc/36/85/79/565368579.db2.gz DKPNXNRRUNTJRI-NSHDSACASA-N 1 0 384.343 2.814 20 0 GFADRO [NH3+]C[C@@H]1OCC[C@@H]1C(=O)Nc1ncc(Cc2ccc(Br)cc2)s1 ZINC000662457652 565369835 /nfs/dbraw/zinc/36/98/35/565369835.db2.gz CNKNNFXPFSBSTK-KBPBESRZSA-N 1 0 396.310 2.799 20 0 GFADRO O=C(Nc1cc(Br)ccc1F)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC000662467619 565370284 /nfs/dbraw/zinc/37/02/84/565370284.db2.gz JNJNOSVFDUMGPW-NSHDSACASA-N 1 0 382.237 2.747 20 0 GFADRO COC(=O)[C@@H]1C[N@H+](CCCC(=O)N(C)C)C[C@H]1c1ccc(Br)cc1 ZINC000594014025 565371873 /nfs/dbraw/zinc/37/18/73/565371873.db2.gz FLEVMTVHMBEDIF-JKSUJKDBSA-N 1 0 397.313 2.506 20 0 GFADRO N[C@@H](C(=O)N1CC[NH+](C2CCCCC2)CC1)c1ccccc1Br ZINC000662504120 565372699 /nfs/dbraw/zinc/37/26/99/565372699.db2.gz QGWFYFDERXWAGV-QGZVFWFLSA-N 1 0 380.330 2.926 20 0 GFADRO COc1cc(CS(=O)(=O)N[C@@H](C)[C@@H](c2ccccc2C)[NH+](C)C)sn1 ZINC000641451488 565373872 /nfs/dbraw/zinc/37/38/72/565373872.db2.gz KGVZJSWDAGVCTO-GUYCJALGSA-N 1 0 383.539 2.571 20 0 GFADRO O=C(NCCc1ccc(F)c(Br)c1)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662521814 565374829 /nfs/dbraw/zinc/37/48/29/565374829.db2.gz IRSTXDCYCCRJQJ-CYBMUJFWSA-N 1 0 383.183 2.789 20 0 GFADRO COc1cc(Br)c(NC(=O)c2cc(C(C)(C)[NH3+])no2)cc1OC ZINC000662523430 565375073 /nfs/dbraw/zinc/37/50/73/565375073.db2.gz CMOSVKPDWDKSAG-UHFFFAOYSA-N 1 0 384.230 2.900 20 0 GFADRO CN[C@H](C(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1)c1cccc(Cl)c1Cl ZINC000662568653 565377128 /nfs/dbraw/zinc/37/71/28/565377128.db2.gz IJBPEOSWDRLXPR-PVAVHDDUSA-N 1 0 386.323 2.609 20 0 GFADRO O=C(NCCCc1c(Cl)cccc1Cl)c1cnnn1C1CC[NH2+]CC1 ZINC000662584659 565378538 /nfs/dbraw/zinc/37/85/38/565378538.db2.gz OSTAPARZZVRJKR-UHFFFAOYSA-N 1 0 382.295 2.872 20 0 GFADRO O=C(N1CCc2cccc(Br)c2C1)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662612569 565379963 /nfs/dbraw/zinc/37/99/63/565379963.db2.gz UUHOSHXJZQQHSO-AWEZNQCLSA-N 1 0 377.204 2.876 20 0 GFADRO COc1cccc(OC)c1CNC(=O)[C@@](C)([NH3+])c1ccc(Br)cc1 ZINC000662626429 565379975 /nfs/dbraw/zinc/37/99/75/565379975.db2.gz HCAQPIUSWLSSJA-SFHVURJKSA-N 1 0 393.281 2.957 20 0 GFADRO C[C@@H]1CCCN(Cc2csc(NC(=O)[C@@]3(C(F)(F)F)CC[NH2+]C3)n2)C1 ZINC000662663535 565380480 /nfs/dbraw/zinc/38/04/80/565380480.db2.gz NUAAYSFLLJUONO-IAQYHMDHSA-N 1 0 376.448 2.856 20 0 GFADRO [NH3+]C1(CNC(=O)[C@H]2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)CCCC1 ZINC000662651972 565381256 /nfs/dbraw/zinc/38/12/56/565381256.db2.gz IQGGMPRFNDLDRS-OAHLLOKOSA-N 1 0 384.307 2.986 20 0 GFADRO C[NH+](C)C[C@H](CNS(=O)(=O)C[C@@]1(C)CC1(F)F)c1ccc(Cl)cc1 ZINC000641553056 565381542 /nfs/dbraw/zinc/38/15/42/565381542.db2.gz ARYZDRZRZPVXDA-DZGCQCFKSA-N 1 0 380.888 2.950 20 0 GFADRO CO[C@H](C(=O)N1C[C@@H](SC)[C@H]([NH+](C)C)C1)c1ccccc1Br ZINC000594333107 565382085 /nfs/dbraw/zinc/38/20/85/565382085.db2.gz TUXNDYWMNYAHSO-KFWWJZLASA-N 1 0 387.343 2.641 20 0 GFADRO COc1ccc(Br)cc1C(=O)CCC(=O)NCC[C@@H]([NH3+])C(C)C ZINC000662730799 565383055 /nfs/dbraw/zinc/38/30/55/565383055.db2.gz PPPXACGPEWIDJM-CQSZACIVSA-N 1 0 385.302 2.910 20 0 GFADRO CC(C)[C@H]([NH3+])CCNC(=O)[C@H]1CCCN1C(=O)c1ccc(Br)cc1 ZINC000662727382 565383450 /nfs/dbraw/zinc/38/34/50/565383450.db2.gz WOBMCRIBHNKACL-HZPDHXFCSA-N 1 0 396.329 2.543 20 0 GFADRO C[NH+]1CCC2(CCN(S(=O)(=O)c3ccc(CC(F)(F)F)cc3)C2)CC1 ZINC000641587072 565384643 /nfs/dbraw/zinc/38/46/43/565384643.db2.gz SBQPLIHNVDQYAR-UHFFFAOYSA-N 1 0 376.444 2.898 20 0 GFADRO O=C([C@@H]1C[C@H]1c1ccc(Br)cc1)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000620476038 565384701 /nfs/dbraw/zinc/38/47/01/565384701.db2.gz ZWTMDGCNFZHOOE-FGTMMUONSA-N 1 0 393.325 2.610 20 0 GFADRO Cn1cc([C@@H]2N(C(=O)[C@](C)([NH3+])c3ccc(Br)cc3)CC2(C)C)cn1 ZINC000662755150 565384813 /nfs/dbraw/zinc/38/48/13/565384813.db2.gz DISSSNNJALWCNZ-MAUKXSAKSA-N 1 0 391.313 2.966 20 0 GFADRO Cc1cc(C(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)c(C)cc1Br ZINC000620480925 565386268 /nfs/dbraw/zinc/38/62/68/565386268.db2.gz MOZNUZBGDCYFOG-HNNXBMFYSA-N 1 0 381.314 2.737 20 0 GFADRO C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000620486409 565386316 /nfs/dbraw/zinc/38/63/16/565386316.db2.gz GDKUXYLKJAQNPK-GXTWGEPZSA-N 1 0 387.307 2.818 20 0 GFADRO C[C@@H](C(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1)c1ccc(Br)s1 ZINC000620482529 565386326 /nfs/dbraw/zinc/38/63/26/565386326.db2.gz QBNJBSNHIAIHNF-YPMHNXCESA-N 1 0 387.343 2.672 20 0 GFADRO O=C(CCOc1ccc(Cl)cc1Cl)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000620486768 565386353 /nfs/dbraw/zinc/38/63/53/565386353.db2.gz NAWJONJSADBGNP-OAHLLOKOSA-N 1 0 387.307 2.820 20 0 GFADRO C[C@@H](C(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1)c1ccc(Br)s1 ZINC000620482527 565386458 /nfs/dbraw/zinc/38/64/58/565386458.db2.gz QBNJBSNHIAIHNF-DGCLKSJQSA-N 1 0 387.343 2.672 20 0 GFADRO O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1sc2c(c1Br)CNC2 ZINC000662835628 565387286 /nfs/dbraw/zinc/38/72/86/565387286.db2.gz QLFNONQSHSMZPN-VXGBXAGGSA-N 1 0 384.343 2.861 20 0 GFADRO CN[C@H](C(=O)N1CCO[C@H](CCC[NH+](C)C)C1)c1cccc(Cl)c1Cl ZINC000662972051 565390833 /nfs/dbraw/zinc/39/08/33/565390833.db2.gz HNJFURWDNSLDKY-DYVFJYSZSA-N 1 0 388.339 2.823 20 0 GFADRO C[C@@H]1COCC[N@@H+]1C1CCN(c2nc(C3CC3)ncc2Br)CC1 ZINC000641654979 565391535 /nfs/dbraw/zinc/39/15/35/565391535.db2.gz VPYYDKJIBYCVOP-GFCCVEGCSA-N 1 0 381.318 2.806 20 0 GFADRO OC[C@H](CC(F)(F)F)[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000641745705 565397274 /nfs/dbraw/zinc/39/72/74/565397274.db2.gz ZUOLEBFOVCIQEM-ZDUSSCGKSA-N 1 0 397.235 2.689 20 0 GFADRO C[C@@H]([NH2+][C@H]1CCCN(CCN2CCOCC2)C1)c1cccc(Br)c1 ZINC000641788605 565399676 /nfs/dbraw/zinc/39/96/76/565399676.db2.gz TUFHGCNTFHEEPK-APWZRJJASA-N 1 0 396.373 2.896 20 0 GFADRO [NH3+]C[C@@H](NCc1c(F)ccc(I)c1F)C(F)(F)F ZINC000594581117 565400590 /nfs/dbraw/zinc/40/05/90/565400590.db2.gz ROTQCBRRUZJMQO-MRVPVSSYSA-N 1 0 380.098 2.549 20 0 GFADRO CC[C@H](c1ccc(Br)cc1)N1CCN(C(=O)NC/C=C/C[NH3+])CC1 ZINC000641862043 565401170 /nfs/dbraw/zinc/40/11/70/565401170.db2.gz IHHBDHIELIJAMH-REMYHPOOSA-N 1 0 395.345 2.742 20 0 GFADRO Cc1cc(OC[C@H](O)C[NH2+]C[C@H]2CCS(=O)(=O)C2)c(C(C)C)cc1Cl ZINC000641966705 565403094 /nfs/dbraw/zinc/40/30/94/565403094.db2.gz FBQZVFAYZNMSJE-HUUCEWRRSA-N 1 0 389.945 2.536 20 0 GFADRO C[C@@H](NC(=O)C(=O)N[C@@H]1CCC[NH2+]CC1)c1cc(F)c(Cl)cc1Cl ZINC000642096174 565405391 /nfs/dbraw/zinc/40/53/91/565405391.db2.gz LECRRVPNNPOIIS-NXEZZACHSA-N 1 0 376.259 2.568 20 0 GFADRO C[NH+](C)CCn1cc(Nc2nc(C(F)(F)F)c(Br)s2)cn1 ZINC000642109891 565406228 /nfs/dbraw/zinc/40/62/28/565406228.db2.gz WYMCIKLOXYUXQD-UHFFFAOYSA-N 1 0 384.225 3.426 20 0 GFADRO CN(C)c1ncc(Br)cc1C(=O)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000621105446 565406534 /nfs/dbraw/zinc/40/65/34/565406534.db2.gz RSWJKJPJFXEURR-CQSZACIVSA-N 1 0 395.345 2.762 20 0 GFADRO CN1CC[NH+](CCCCN=c2[nH]c3c(cccc3Br)s2)CC1 ZINC000621252654 565411451 /nfs/dbraw/zinc/41/14/51/565411451.db2.gz YJTMQAZAIPOPKJ-UHFFFAOYSA-N 1 0 383.359 2.920 20 0 GFADRO COc1cc(CN2C[C@H]3C[C@@H](C2)Cn2c(=O)cccc23)c(Br)cn1 ZINC000621298614 565417275 /nfs/dbraw/zinc/41/72/75/565417275.db2.gz CWAGEBJEMKJZMT-GXTWGEPZSA-N 1 0 390.281 2.634 20 0 GFADRO CC(C)(CNC(=O)C(=O)N1CCC(C)([NH3+])CC1)c1ccc(Cl)c(Cl)c1 ZINC000642724866 565417419 /nfs/dbraw/zinc/41/74/19/565417419.db2.gz SLONKDRMDIGRHG-UHFFFAOYSA-N 1 0 386.323 2.727 20 0 GFADRO CS[C@@H]1CN(S(=O)(=O)Cc2cc(F)ccc2Cl)C[C@@H]1[NH+]1CCCC1 ZINC000594767140 565418266 /nfs/dbraw/zinc/41/82/66/565418266.db2.gz LYRMCSGWWCGUPD-JKSUJKDBSA-N 1 0 392.949 2.821 20 0 GFADRO C[C@H](NC(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1)c1ccc(Br)cc1 ZINC000663443017 565421064 /nfs/dbraw/zinc/42/10/64/565421064.db2.gz NRIXAUMPOFZDMC-SUMWQHHRSA-N 1 0 396.329 2.751 20 0 GFADRO CN(c1cc(Br)cnn1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000663486973 565422346 /nfs/dbraw/zinc/42/23/46/565422346.db2.gz XIKGEANBHHERMN-UHFFFAOYSA-N 1 0 376.302 2.777 20 0 GFADRO C[C@H](NC(=O)N(CC[NH+](C)C)CC(=O)N(C)C)c1ccc(Cl)c(Cl)c1 ZINC000663449995 565422359 /nfs/dbraw/zinc/42/23/59/565422359.db2.gz XLPFBKGTRZGIQC-LBPRGKRZSA-N 1 0 389.327 2.716 20 0 GFADRO C[C@]1(NC(=O)C(=O)Nc2cc(Cl)ccc2SCC(F)(F)F)CC[NH2+]C1 ZINC000663612103 565429397 /nfs/dbraw/zinc/42/93/97/565429397.db2.gz FWGODYVKSUATGQ-AWEZNQCLSA-N 1 0 395.834 2.801 20 0 GFADRO Cc1c([C@@H](C)NC[C@@H]2C[C@H](F)C[NH2+]2)nnn1-c1cccc(Br)c1 ZINC000643537277 565435031 /nfs/dbraw/zinc/43/50/31/565435031.db2.gz CKSJABHFPFJKJQ-SWHYSGLUSA-N 1 0 382.281 2.689 20 0 GFADRO COC(=O)[C@@H]1C[C@H]1[C@@H](C)[NH2+]Cc1nnc(-c2ccc(Br)cc2)[nH]1 ZINC000594930914 565435746 /nfs/dbraw/zinc/43/57/46/565435746.db2.gz BTTFVSWQUZXUJQ-JIMOISOXSA-N 1 0 379.258 2.521 20 0 GFADRO CCN(Cc1cccc(Br)c1)C(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000643637254 565436147 /nfs/dbraw/zinc/43/61/47/565436147.db2.gz BOCSZPLSTYSXKE-OAHLLOKOSA-N 1 0 392.301 2.627 20 0 GFADRO [NH3+][C@]12CCC[C@H]1CN(C(=O)[C@H]1CCN(c3cc(Cl)ccc3Cl)C1=O)C2 ZINC000621688295 565436865 /nfs/dbraw/zinc/43/68/65/565436865.db2.gz SHGCTNQMTYZRDL-SRBZOADZSA-N 1 0 382.291 2.686 20 0 GFADRO [NH3+][C@@]12CCC[C@@H]1CN(C(=O)CCNc1ncc(C(F)(F)F)cc1Cl)C2 ZINC000621689963 565437043 /nfs/dbraw/zinc/43/70/43/565437043.db2.gz OFXHTCBAVNUDBF-MEBBXXQBSA-N 1 0 376.810 2.896 20 0 GFADRO C[C@@]1(C[NH2+]Cc2cc(Cl)ccc2I)CCC(=O)N1 ZINC000594947162 565437123 /nfs/dbraw/zinc/43/71/23/565437123.db2.gz WSYNGYGCLZVWRS-ZDUSSCGKSA-N 1 0 378.641 2.703 20 0 GFADRO CO[C@H](C[NH2+]Cc1c(F)ccc(I)c1F)[C@@H]1CCOC1 ZINC000594948966 565437392 /nfs/dbraw/zinc/43/73/92/565437392.db2.gz CXBQHYBGMPSABF-NOZJJQNGSA-N 1 0 397.203 2.711 20 0 GFADRO [NH3+][C@@]12CCC[C@@H]1CN(C(=O)c1[nH]nc(-c3ccccc3)c1Br)C2 ZINC000621682666 565437460 /nfs/dbraw/zinc/43/74/60/565437460.db2.gz JPZXJGSGWRMAPR-SJKOYZFVSA-N 1 0 375.270 2.793 20 0 GFADRO CN1CC[NH+](CCCN[C@H](c2ccc(Br)cc2)C(F)F)CC1 ZINC000621749175 565439682 /nfs/dbraw/zinc/43/96/82/565439682.db2.gz UARSUAGSVKZIRJ-OAHLLOKOSA-N 1 0 376.289 2.982 20 0 GFADRO C[C@@H](Cn1cncn1)[NH2+]CCSCCOc1cccc(Br)c1 ZINC000595020979 565443542 /nfs/dbraw/zinc/44/35/42/565443542.db2.gz WDFHFVCQUNZMIB-ZDUSSCGKSA-N 1 0 385.331 2.831 20 0 GFADRO C[NH2+]C[C@@H]1CCCN1C(=O)NCC(F)(F)c1ccc(Br)cc1 ZINC000621850991 565444588 /nfs/dbraw/zinc/44/45/88/565444588.db2.gz JBFNAIFWOFWYBY-ZDUSSCGKSA-N 1 0 376.245 2.934 20 0 GFADRO C[C@H](CSCCF)[NH2+]CC(=O)Nc1ccc(I)cc1 ZINC000595037909 565444941 /nfs/dbraw/zinc/44/49/41/565444941.db2.gz FIYUFOHTZYLZRE-SNVBAGLBSA-N 1 0 396.269 2.911 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)NCC(F)(F)c2ccc(Br)cc2)CC[NH2+]1 ZINC000621848480 565445116 /nfs/dbraw/zinc/44/51/16/565445116.db2.gz YWUHSLBRWZWFAL-ZWNOBZJWSA-N 1 0 376.245 2.981 20 0 GFADRO CC[NH+](CC)C[C@H]1CCN(C(=O)c2cc3c(cc2Br)OCO3)C1 ZINC000621890894 565446659 /nfs/dbraw/zinc/44/66/59/565446659.db2.gz NPMYUZBJJQRTPI-GFCCVEGCSA-N 1 0 383.286 2.982 20 0 GFADRO CCN(C(=O)N[C@@H]1CCN(c2ccc(Br)cc2)C1)[C@H]1CC[N@H+](C)C1 ZINC000663974700 565447132 /nfs/dbraw/zinc/44/71/32/565447132.db2.gz LNXZNHFJRCOYIR-WBVHZDCISA-N 1 0 395.345 2.763 20 0 GFADRO C[C@H](CCNC(=O)N[C@H]1CCN(c2ccc(Br)cc2)C1)[NH+](C)C ZINC000663976570 565448090 /nfs/dbraw/zinc/44/80/90/565448090.db2.gz WNRXHTNWGDCWQG-HIFRSBDPSA-N 1 0 383.334 2.667 20 0 GFADRO C[NH+](C)CCN(Cc1ccco1)C(=O)c1cc2c(cc1Br)OCO2 ZINC000621908572 565448250 /nfs/dbraw/zinc/44/82/50/565448250.db2.gz CCJDJAADHYJFHM-UHFFFAOYSA-N 1 0 395.253 2.975 20 0 GFADRO OC1(CNc2cc(Br)cnn2)CC[NH+](Cc2ccccc2)CC1 ZINC000664016856 565449383 /nfs/dbraw/zinc/44/93/83/565449383.db2.gz SPXDYBTZDNTGAT-UHFFFAOYSA-N 1 0 377.286 2.678 20 0 GFADRO C[C@@H](CNC(=O)[C@H]1C[NH2+]CCC1(F)F)Oc1ccc(Br)cc1 ZINC000643984131 565454081 /nfs/dbraw/zinc/45/40/81/565454081.db2.gz XSCNFAOGPPGOLJ-GXFFZTMASA-N 1 0 377.229 2.577 20 0 GFADRO C[C@@H](CNC(=O)[C@H]1C[NH2+]CCC1(F)F)Oc1ccccc1Br ZINC000643983989 565454363 /nfs/dbraw/zinc/45/43/63/565454363.db2.gz DSLYPSAWQPMLJI-WDEREUQCSA-N 1 0 377.229 2.577 20 0 GFADRO [NH3+][C@]12CCC[C@@H]1CN(S(=O)(=O)c1cc(Br)sc1Cl)C2 ZINC000622013197 565455210 /nfs/dbraw/zinc/45/52/10/565455210.db2.gz MCNORAYRZWNDHJ-HQJQHLMTSA-N 1 0 385.736 2.666 20 0 GFADRO [NH3+][C@@]12CCC[C@@H]1CN(S(=O)(=O)c1ccc(Cl)cc1Br)C2 ZINC000622015064 565455225 /nfs/dbraw/zinc/45/52/25/565455225.db2.gz PSZAXSCAWKFLAY-NOZJJQNGSA-N 1 0 379.707 2.604 20 0 GFADRO CN(Cc1cc(Br)cs1)C(=O)CN(CC[NH3+])Cc1ccccc1 ZINC000644049308 565455964 /nfs/dbraw/zinc/45/59/64/565455964.db2.gz SYUOLWWPQTUCHV-UHFFFAOYSA-N 1 0 396.354 2.930 20 0 GFADRO COc1ccc([C@H](C[NH+](C)C)NC(=O)c2cc(Br)c[nH]c2=O)cc1 ZINC000622033625 565456218 /nfs/dbraw/zinc/45/62/18/565456218.db2.gz AGVJXDFADXXMRB-HNNXBMFYSA-N 1 0 394.269 2.591 20 0 GFADRO Cc1[nH+]c2ccc(Br)cc2c(NC[C@@]2(OCCO)CCOC2)c1C ZINC000664239027 565456186 /nfs/dbraw/zinc/45/61/86/565456186.db2.gz NOVINYFHUYVXBJ-SFHVURJKSA-N 1 0 395.297 2.616 20 0 GFADRO O=C(C[NH2+]C[C@@H]1CCCO1)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000644046620 565456529 /nfs/dbraw/zinc/45/65/29/565456529.db2.gz SRZSUKGVLJFJPX-NHCYSSNCSA-N 1 0 376.341 2.781 20 0 GFADRO O=C(NCC12CC(C1)C[NH2+]2)Nc1cc(Cl)ccc1I ZINC000595232448 565456956 /nfs/dbraw/zinc/45/69/56/565456956.db2.gz CJPLLYVKADUPPI-UHFFFAOYSA-N 1 0 391.640 2.818 20 0 GFADRO Cc1ccc(CCC(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)cc1Cl ZINC000644130878 565459859 /nfs/dbraw/zinc/45/98/59/565459859.db2.gz XGEOUKIEDLREFR-OAHLLOKOSA-N 1 0 377.838 2.533 20 0 GFADRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)NCc1cc(Cl)ccc1I ZINC000595274516 565460267 /nfs/dbraw/zinc/46/02/67/565460267.db2.gz RWXFBBALZNBFEE-RKDXNWHRSA-N 1 0 395.672 2.870 20 0 GFADRO O=C(COc1ccc2cc(Br)ccc2c1)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000644142749 565460190 /nfs/dbraw/zinc/46/01/90/565460190.db2.gz FAKQBIBRKCXWAI-GJZGRUSLSA-N 1 0 381.245 2.797 20 0 GFADRO [NH3+][C@@H]1CCC[C@H](CNC(=O)[C@H]2CC(=O)N(c3cc(Cl)cc(Cl)c3)C2)C1 ZINC000644136683 565460281 /nfs/dbraw/zinc/46/02/81/565460281.db2.gz IRMZVSAOUMKQFW-SLEUVZQESA-N 1 0 384.307 2.980 20 0 GFADRO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)Nc1ccc(OC(F)(F)F)cc1Cl ZINC000664589457 565468468 /nfs/dbraw/zinc/46/84/68/565468468.db2.gz JIHAKWOJSVFPGI-VIFPVBQESA-N 1 0 381.782 2.634 20 0 GFADRO Cc1ncc2c(n1)CC[C@H]([NH2+]C[C@@H](O)COc1ccc(Cl)c(Cl)c1)C2 ZINC000644518258 565479479 /nfs/dbraw/zinc/47/94/79/565479479.db2.gz QWAKGPZVQRWECC-UONOGXRCSA-N 1 0 382.291 2.979 20 0 GFADRO Cc1cc(OC[C@H](O)C[NH2+]CC(C)(C)S(C)(=O)=O)c(C(C)C)cc1Cl ZINC000644584015 565483965 /nfs/dbraw/zinc/48/39/65/565483965.db2.gz JQLALTPTESIAIJ-CQSZACIVSA-N 1 0 391.961 2.924 20 0 GFADRO C[C@@H](Cc1cc(Br)ccc1F)[NH2+]C[C@@H](O)COC1CCOCC1 ZINC000644609296 565484172 /nfs/dbraw/zinc/48/41/72/565484172.db2.gz ZNGWOSNLHIMANK-SWLSCSKDSA-N 1 0 390.293 2.665 20 0 GFADRO O[C@H](C[NH2+][C@H]1CCN(c2ccccn2)C1)COc1cc(Cl)ccc1Cl ZINC000644608481 565484203 /nfs/dbraw/zinc/48/42/03/565484203.db2.gz PZEGZZOVOGFCHT-LSDHHAIUSA-N 1 0 382.291 2.997 20 0 GFADRO CCOc1ccc(Br)cc1S(=O)(=O)N1CCCN(CC)CC1 ZINC000595604247 565485184 /nfs/dbraw/zinc/48/51/84/565485184.db2.gz DWZQXJFBRCTHIZ-UHFFFAOYSA-N 1 0 391.331 2.564 20 0 GFADRO O[C@H](CNC1CC([NH+]2CCCCC2)C1)COc1cccc(Br)c1 ZINC000644636816 565486751 /nfs/dbraw/zinc/48/67/51/565486751.db2.gz XWBCBNCBIAGZKX-OFLPRAFFSA-N 1 0 383.330 2.795 20 0 GFADRO O=S(=O)(CC[NH2+]CCc1cc(C(F)(F)F)ccn1)c1ccc(F)cc1 ZINC000644654175 565487953 /nfs/dbraw/zinc/48/79/53/565487953.db2.gz PGKSDCYVEJOMBY-UHFFFAOYSA-N 1 0 376.375 2.846 20 0 GFADRO CC[NH+]1CCN(CCC(=O)NCCCc2cccc(Br)c2)CC1 ZINC000595704543 565488495 /nfs/dbraw/zinc/48/84/95/565488495.db2.gz FVBHTZFAJRKYIB-UHFFFAOYSA-N 1 0 382.346 2.526 20 0 GFADRO C[NH+](C)CCC[C@H]1CN(C(=O)NCCc2cccc(Br)c2)CCO1 ZINC000665108217 565489843 /nfs/dbraw/zinc/48/98/43/565489843.db2.gz DYSVGINSPJGSEW-KRWDZBQOSA-N 1 0 398.345 2.744 20 0 GFADRO O=C(c1nc(C2CC2)ncc1Br)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000623066279 565492979 /nfs/dbraw/zinc/49/29/79/565492979.db2.gz CYEKDSJNYBAYMY-AWEZNQCLSA-N 1 0 393.329 2.968 20 0 GFADRO COc1ccc([C@H](NCc2nc(C[NH3+])cc(=O)[nH]2)C(C)C)c(Br)c1 ZINC000665293225 565496462 /nfs/dbraw/zinc/49/64/62/565496462.db2.gz VXTLJJNJIRGXOH-QGZVFWFLSA-N 1 0 395.301 2.899 20 0 GFADRO COC(=O)[C@H](c1cccc(Br)c1)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000595907816 565497637 /nfs/dbraw/zinc/49/76/37/565497637.db2.gz YQGJALZURSXSGH-SJORKVTESA-N 1 0 399.329 2.706 20 0 GFADRO CC[C@H]([NH2+]C)C(=O)NCCSCCOc1cccc(Br)c1 ZINC000595923156 565498936 /nfs/dbraw/zinc/49/89/36/565498936.db2.gz RDURWPMFOHRSIU-AWEZNQCLSA-N 1 0 375.332 2.675 20 0 GFADRO CN(CC(C)(C)[NH3+])C(=O)c1cccn1-c1cccc(I)c1 ZINC000595949678 565501374 /nfs/dbraw/zinc/50/13/74/565501374.db2.gz ZPQFLLIWUZCDFB-UHFFFAOYSA-N 1 0 397.260 2.891 20 0 GFADRO CN(C)S(=O)(=O)c1ccc(CN2CCCO[C@H](c3ccccc3)C2)s1 ZINC000644921964 565501597 /nfs/dbraw/zinc/50/15/97/565501597.db2.gz YYWKOEWOCWYQRE-KRWDZBQOSA-N 1 0 380.535 2.962 20 0 GFADRO CCOC(=O)[C@]1(C)CCC[C@H]1NC(=O)[C@](C)([NH3+])c1ccc(Br)cc1 ZINC000595950255 565502334 /nfs/dbraw/zinc/50/23/34/565502334.db2.gz RWCNLXCXJPBGGR-ZTFGCOKTSA-N 1 0 397.313 2.861 20 0 GFADRO CC(C)(C)[C@H]([NH3+])C(=O)NCc1cc(Cl)ccc1I ZINC000595963229 565502413 /nfs/dbraw/zinc/50/24/13/565502413.db2.gz OTLTYNTYMXTRSS-LLVKDONJSA-N 1 0 380.657 2.934 20 0 GFADRO [NH3+]C1(C(=O)NCc2cc(Cl)ccc2I)CCCC1 ZINC000595963467 565502478 /nfs/dbraw/zinc/50/24/78/565502478.db2.gz SSDVFQXMJJFWTF-UHFFFAOYSA-N 1 0 378.641 2.832 20 0 GFADRO O=C(Nc1nc2cc(I)ccc2[nH]1)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000595950297 565502574 /nfs/dbraw/zinc/50/25/74/565502574.db2.gz SRYCYMOMOIQEJG-PWSUYJOCSA-N 1 0 396.232 2.637 20 0 GFADRO C[NH2+]C[C@@H](C)NC(=O)[C@H](CCSC)NC(=O)c1ccc(Cl)cc1Cl ZINC000595981825 565503565 /nfs/dbraw/zinc/50/35/65/565503565.db2.gz FMTRBLCHKLAJTD-YGRLFVJLSA-N 1 0 392.352 2.569 20 0 GFADRO COC(=O)[C@H](NC(=O)C[C@@H](C)[C@H]1CCC[NH2+]C1)c1ccccc1Br ZINC000595971113 565503597 /nfs/dbraw/zinc/50/35/97/565503597.db2.gz PPEVBTMJQDBTPE-IIYDPXPESA-N 1 0 397.313 2.805 20 0 GFADRO COC(=O)c1sc2c(c1Br)CN(C(=O)CCC(C)(C)[NH3+])C2 ZINC000595994547 565504822 /nfs/dbraw/zinc/50/48/22/565504822.db2.gz HPMOEGBEJJJSSQ-UHFFFAOYSA-N 1 0 375.288 2.657 20 0 GFADRO CSc1ccc([C@@H](CNc2ncnc3c2NC(=O)CS3)[NH+](C)C)cc1 ZINC000645065941 565511164 /nfs/dbraw/zinc/51/11/64/565511164.db2.gz YJHWRURNCWFTOO-CYBMUJFWSA-N 1 0 375.523 2.958 20 0 GFADRO C[C@H]([NH2+]C[C@H](O)COC1CCOCC1)c1ccc(F)c(Br)c1 ZINC000645194508 565516952 /nfs/dbraw/zinc/51/69/52/565516952.db2.gz IKDKBEYWGOIGKP-AAEUAGOBSA-N 1 0 376.266 2.795 20 0 GFADRO OC[C@]1([C@H]([NH2+]C[C@@H](O)COc2ccc(Cl)c(Cl)c2)C2CC2)CCCO1 ZINC000645264175 565518660 /nfs/dbraw/zinc/51/86/60/565518660.db2.gz ZDSMMTJODLBWOZ-XWIAVFTESA-N 1 0 390.307 2.643 20 0 GFADRO Cc1cccc(CC(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)c1Br ZINC000623638737 565521895 /nfs/dbraw/zinc/52/18/95/565521895.db2.gz QKJHHHNOIWALBD-HUUCEWRRSA-N 1 0 383.330 2.916 20 0 GFADRO OCCOC1(C[NH2+]C2CCN(c3nccs3)CC2)CCC(F)(F)CC1 ZINC000623637838 565522248 /nfs/dbraw/zinc/52/22/48/565522248.db2.gz MQLGDYNZPJYGOC-UHFFFAOYSA-N 1 0 375.485 2.659 20 0 GFADRO NC(=O)c1cccc(C[NH2+][C@@]2(CO)CCc3cc(Br)ccc3C2)c1 ZINC000623643859 565522283 /nfs/dbraw/zinc/52/22/83/565522283.db2.gz FCTZLMZSWFOBRB-IBGZPJMESA-N 1 0 389.293 2.558 20 0 GFADRO CCc1ncc(C[NH2+][C@@]2(CO)CCc3cc(Br)ccc3C2)cn1 ZINC000623644992 565523223 /nfs/dbraw/zinc/52/32/23/565523223.db2.gz JBJMHOQPYWHQND-SFHVURJKSA-N 1 0 376.298 2.811 20 0 GFADRO CN(C)c1ncc(C[NH2+][C@@]2(CO)CCc3cc(Br)ccc3C2)s1 ZINC000623644475 565523423 /nfs/dbraw/zinc/52/34/23/565523423.db2.gz YYTLROPNMOYOLT-KRWDZBQOSA-N 1 0 396.354 2.981 20 0 GFADRO CC(C)n1cc(C[NH2+][C@@]2(CO)CCc3cc(Br)ccc3C2)nn1 ZINC000623645166 565523641 /nfs/dbraw/zinc/52/36/41/565523641.db2.gz QFQMMXDJXGZZIF-KRWDZBQOSA-N 1 0 379.302 2.631 20 0 GFADRO CN1CCOC[C@H]1C[NH2+]Cc1cc(Br)cc(Br)c1 ZINC000623712949 565526960 /nfs/dbraw/zinc/52/69/60/565526960.db2.gz OZKVEUUMZAZZHY-CYBMUJFWSA-N 1 0 378.108 2.632 20 0 GFADRO Cc1ccc(Br)cc1[C@@H](C)[NH2+]C1CCN(CC(=O)N(C)C)CC1 ZINC000623891035 565533755 /nfs/dbraw/zinc/53/37/55/565533755.db2.gz BCKFGCPXAUYARL-CQSZACIVSA-N 1 0 382.346 2.961 20 0 GFADRO O=S(=O)(c1ncccc1C(F)(F)F)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000645515656 565534029 /nfs/dbraw/zinc/53/40/29/565534029.db2.gz MMQNNVGIEGNQCA-ZDUSSCGKSA-N 1 0 377.432 2.739 20 0 GFADRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(c2ncc(Br)cc2F)CC1 ZINC000623913554 565534849 /nfs/dbraw/zinc/53/48/49/565534849.db2.gz UAWQSZVMIJPCAW-OKILXGFUSA-N 1 0 385.325 2.978 20 0 GFADRO Cc1cccc2cc(S(=O)(=O)NCCCC[N@@H+]3CCC[C@H]3CO)sc21 ZINC000645558116 565538495 /nfs/dbraw/zinc/53/84/95/565538495.db2.gz NSFVBCIYDIPXBM-INIZCTEOSA-N 1 0 382.551 2.725 20 0 GFADRO C[C@H]([NH2+]C[C@@]1(OCCO)CCOC1)c1cc(F)c(Br)cc1F ZINC000624012034 565538724 /nfs/dbraw/zinc/53/87/24/565538724.db2.gz PZCAIAPQDSXMKC-BONVTDFDSA-N 1 0 380.229 2.546 20 0 GFADRO Cc1cccc2cc(S(=O)(=O)N3CCC(OCC[NH+](C)C)CC3)sc21 ZINC000645562728 565539207 /nfs/dbraw/zinc/53/92/07/565539207.db2.gz NNFIWNUGFGBADE-UHFFFAOYSA-N 1 0 382.551 2.941 20 0 GFADRO COc1cc(Br)cc(NC(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)c1 ZINC000666479763 565539334 /nfs/dbraw/zinc/53/93/34/565539334.db2.gz YGZXIZZZBLKZQB-HNNXBMFYSA-N 1 0 398.301 2.521 20 0 GFADRO COc1cccc([C@H](C[NH2+][C@H](C)Cn2cc(Br)ccc2=O)OC)c1 ZINC000624032680 565540034 /nfs/dbraw/zinc/54/00/34/565540034.db2.gz VNXBGDFGWCZSOD-DYVFJYSZSA-N 1 0 395.297 2.985 20 0 GFADRO C[NH+](C)C1(CNC(=O)c2cc(Br)cc3c2OCCO3)CCCC1 ZINC000666527845 565540324 /nfs/dbraw/zinc/54/03/24/565540324.db2.gz DTUGHJVXFFXWCS-UHFFFAOYSA-N 1 0 383.286 2.825 20 0 GFADRO C[C@H]([NH2+]Cc1c(C(F)(F)F)cnn1C)c1cccc(NS(C)(=O)=O)c1 ZINC000624052561 565541160 /nfs/dbraw/zinc/54/11/60/565541160.db2.gz IRZXUBKCAUBVJH-JTQLQIEISA-N 1 0 376.404 2.661 20 0 GFADRO Cc1c(Br)cncc1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cn1 ZINC000666560616 565543394 /nfs/dbraw/zinc/54/33/94/565543394.db2.gz MIGJVBJTRAPXQD-UHFFFAOYSA-N 1 0 390.285 2.552 20 0 GFADRO Brc1ccc2c(c1)CC[C@H]2[NH2+][C@@H]1CCN(c2ccc3nncn3n2)C1 ZINC000624113258 565543979 /nfs/dbraw/zinc/54/39/79/565543979.db2.gz AOSFFNHIIRKAOY-GDBMZVCRSA-N 1 0 399.296 2.743 20 0 GFADRO C[C@@H](CC(=O)Nc1cccc(Cl)c1)[NH2+][C@@H]1CCCC[C@H]1NS(C)(=O)=O ZINC000624136516 565545327 /nfs/dbraw/zinc/54/53/27/565545327.db2.gz MNJSMHQEFZXJON-APHBMKBZSA-N 1 0 387.933 2.507 20 0 GFADRO O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@@H]1CCO[C@H]1c1cncc(Br)c1 ZINC000666608161 565545767 /nfs/dbraw/zinc/54/57/67/565545767.db2.gz IAAQQZAXMHJEMK-HZMVEIRTSA-N 1 0 394.313 2.665 20 0 GFADRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)Nc1ccc(I)cc1F ZINC000597022281 565547383 /nfs/dbraw/zinc/54/73/83/565547383.db2.gz OBIOGWHEWSBCEW-LLVKDONJSA-N 1 0 391.228 2.988 20 0 GFADRO O=C(NCC[N@H+]1CC=CCC1)Nc1ccc(I)cc1F ZINC000597024345 565548124 /nfs/dbraw/zinc/54/81/24/565548124.db2.gz HKJIPAKVSYBEJO-UHFFFAOYSA-N 1 0 389.212 2.814 20 0 GFADRO CCN(C(=O)Nc1cc(Br)cnc1-n1cccn1)[C@H]1CC[N@H+](C)C1 ZINC000666682366 565548166 /nfs/dbraw/zinc/54/81/66/565548166.db2.gz LRBQHIPTHFOPGU-ZDUSSCGKSA-N 1 0 393.289 2.588 20 0 GFADRO Cc1nc(NC(=O)N[C@@H](C)CN(C)CCC[NH+](C)C)ccc1Br ZINC000666722131 565553629 /nfs/dbraw/zinc/55/36/29/565553629.db2.gz LSGQYVLLCXCWTP-LBPRGKRZSA-N 1 0 386.338 2.546 20 0 GFADRO Cc1cc(Br)c(F)cc1S(=O)(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000624364698 565553561 /nfs/dbraw/zinc/55/35/61/565553561.db2.gz YANNOIBWFRUVKW-NSHDSACASA-N 1 0 379.295 2.646 20 0 GFADRO CCN(CC[NH3+])S(=O)(=O)c1csc(-c2cccc(Br)c2)n1 ZINC000624381214 565554745 /nfs/dbraw/zinc/55/47/45/565554745.db2.gz HIFFHCKAHFWGAN-UHFFFAOYSA-N 1 0 390.328 2.542 20 0 GFADRO C[NH+](C)C1(C(=O)NCc2ccc(I)c(Cl)c2)CC1 ZINC000597623835 565568629 /nfs/dbraw/zinc/56/86/29/565568629.db2.gz NVMBULWJKSVFOR-UHFFFAOYSA-N 1 0 378.641 2.655 20 0 GFADRO Fc1cc2ncnc(N3CCC([NH+]4CCOCC4)CC3)c2cc1Br ZINC000624404098 565555816 /nfs/dbraw/zinc/55/58/16/565555816.db2.gz HSYYXVSXSQXISR-UHFFFAOYSA-N 1 0 395.276 2.832 20 0 GFADRO CCCOc1ccc(Br)cc1S(=O)(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000624404351 565556053 /nfs/dbraw/zinc/55/60/53/565556053.db2.gz NRSKVZSXLSDPRP-YPMHNXCESA-N 1 0 391.331 2.657 20 0 GFADRO C[C@]12C[NH2+]C[C@@]1(C)CN(S(=O)(=O)c1cccc(Br)c1Cl)C2 ZINC000624412157 565556938 /nfs/dbraw/zinc/55/69/38/565556938.db2.gz LBHQYVBCLMZTRE-OKILXGFUSA-N 1 0 393.734 2.723 20 0 GFADRO C[C@]([NH3+])(C(=O)N1CCC[C@@H](c2cc[nH]n2)C1)c1ccc(Br)cc1 ZINC000645774799 565560627 /nfs/dbraw/zinc/56/06/27/565560627.db2.gz HQCILDXEJXIUIB-SJKOYZFVSA-N 1 0 377.286 2.752 20 0 GFADRO CS[C@H]1CN(C(=O)c2nn(C(C)(C)C)cc2Br)C[C@@H]1[NH+](C)C ZINC000597446741 565561096 /nfs/dbraw/zinc/56/10/96/565561096.db2.gz QXLNAGQRQXHYNZ-RYUDHWBXSA-N 1 0 389.363 2.518 20 0 GFADRO Cn1ncc(C(F)(F)F)c1CNC(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000624510138 565561583 /nfs/dbraw/zinc/56/15/83/565561583.db2.gz OLNSLSXSDIPURU-LBPRGKRZSA-N 1 0 375.420 2.603 20 0 GFADRO CC[C@H]1C[N@H+](C)CCCN1C(=O)c1cccc(F)c1I ZINC000597603570 565567844 /nfs/dbraw/zinc/56/78/44/565567844.db2.gz DNGGXWJOVAWPOR-NSHDSACASA-N 1 0 390.240 2.987 20 0 GFADRO C[C@@H]1C[C@@H](c2ccc(Br)cc2)CN1C(=O)NC[C@H]1COCCN1C ZINC000624733620 565573266 /nfs/dbraw/zinc/57/32/66/565573266.db2.gz TTYUHBMRGMNIKP-UNEWFSDZSA-N 1 0 396.329 2.667 20 0 GFADRO Cc1c(Br)ccnc1NC(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000667168114 565574602 /nfs/dbraw/zinc/57/46/02/565574602.db2.gz WOBSHKUKUPWTNT-ZDUSSCGKSA-N 1 0 383.290 2.527 20 0 GFADRO O=C(NCCCc1cccc(Br)c1)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000645955709 565578240 /nfs/dbraw/zinc/57/82/40/565578240.db2.gz ORYJVXLHVSZARS-CYBMUJFWSA-N 1 0 377.286 2.612 20 0 GFADRO CCN(C(=O)c1cc(F)c(F)cc1I)[C@@H]1CC[N@H+](C)C1 ZINC000597944081 565583458 /nfs/dbraw/zinc/58/34/58/565583458.db2.gz CCGYFEFIMXSTRL-SECBINFHSA-N 1 0 394.203 2.736 20 0 GFADRO CCC([NH3+])(CC)CNC(=O)C(=O)Nc1ccccc1SCC(F)(F)F ZINC000667379763 565584555 /nfs/dbraw/zinc/58/45/55/565584555.db2.gz BAYMLXMGNMVVQZ-UHFFFAOYSA-N 1 0 377.432 2.913 20 0 GFADRO CNC(=O)[C@@]1(C(F)(F)F)CC[N@H+](CCOc2ccc(Br)cc2)C1 ZINC000646108835 565586708 /nfs/dbraw/zinc/58/67/08/565586708.db2.gz YSXHPUSNUOXTBZ-CQSZACIVSA-N 1 0 395.219 2.828 20 0 GFADRO CNC(=O)[C@]1(C(F)(F)F)CC[N@H+](CCOc2cccc(Br)c2)C1 ZINC000646109701 565586774 /nfs/dbraw/zinc/58/67/74/565586774.db2.gz WYZYQVQNCULGTF-AWEZNQCLSA-N 1 0 395.219 2.828 20 0 GFADRO CSc1ccc(Cl)c(NC(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000667469913 565588759 /nfs/dbraw/zinc/58/87/59/565588759.db2.gz IVVPVEUHUJEJHW-LBPRGKRZSA-N 1 0 384.933 2.771 20 0 GFADRO COCCC[N@H+](C)CCNC(=O)Nc1ccc(Br)c(F)c1C ZINC000667501061 565590182 /nfs/dbraw/zinc/59/01/82/565590182.db2.gz LSBBBQZKIYTQMW-UHFFFAOYSA-N 1 0 376.270 2.986 20 0 GFADRO CCN(C(=O)c1cccc(F)c1I)[C@@H]1CC[N@H+](CC)C1 ZINC000598042031 565590536 /nfs/dbraw/zinc/59/05/36/565590536.db2.gz VBUKEZAXLNHBPD-LLVKDONJSA-N 1 0 390.240 2.987 20 0 GFADRO CCN(C(=O)c1cc(I)ccc1F)[C@H]1CC[N@H+](CC)C1 ZINC000598042008 565590797 /nfs/dbraw/zinc/59/07/97/565590797.db2.gz UWUMQZSRWVBWDQ-LBPRGKRZSA-N 1 0 390.240 2.987 20 0 GFADRO O=C(Nc1ccc(-c2ccc(Cl)s2)nc1)C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000667505917 565592215 /nfs/dbraw/zinc/59/22/15/565592215.db2.gz GXKJZLRYIDMPQM-NSHDSACASA-N 1 0 378.885 2.660 20 0 GFADRO CC[C@H](C)Sc1ccc(NC(=O)C(=O)NC[C@@H](C)[NH3+])c(C(F)(F)F)c1 ZINC000667559892 565594703 /nfs/dbraw/zinc/59/47/03/565594703.db2.gz VZXGNEFGWSHCAV-ZJUUUORDSA-N 1 0 377.432 2.998 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CN(C(=O)Nc2cc(F)c(Br)c(Cl)c2)CCO1 ZINC000667594235 565595203 /nfs/dbraw/zinc/59/52/03/565595203.db2.gz SRYVANHHXKQRHX-HQJQHLMTSA-N 1 0 380.645 2.822 20 0 GFADRO C[C@H]1COCC[N@@H+]1C1CCN(C(=O)Cc2ccc(Br)cc2)CC1 ZINC000646315595 565596248 /nfs/dbraw/zinc/59/62/48/565596248.db2.gz MJWDARLQZPLLCV-AWEZNQCLSA-N 1 0 381.314 2.703 20 0 GFADRO C[C@@H]1COCC[N@@H+]1C1CCN(C(=O)Cc2ccccc2Br)CC1 ZINC000646322769 565596343 /nfs/dbraw/zinc/59/63/43/565596343.db2.gz YCJHMSPCVMOIAL-CQSZACIVSA-N 1 0 381.314 2.703 20 0 GFADRO COc1ccc(CCC(=O)Nc2ccn(CC[NH+](C)C)n2)c(Br)c1 ZINC000667618291 565597752 /nfs/dbraw/zinc/59/77/52/565597752.db2.gz SIRVRTIRPXIYEJ-UHFFFAOYSA-N 1 0 395.301 2.787 20 0 GFADRO O=C(Nc1cccc(Br)c1)C(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000667637696 565598558 /nfs/dbraw/zinc/59/85/58/565598558.db2.gz BARYPBJRVFSDBU-ZIAGYGMSSA-N 1 0 394.313 2.626 20 0 GFADRO CC(=O)NCC1CC[NH+]([C@@H]2CCc3cc(Br)ccc3NC2=O)CC1 ZINC000625104830 565598823 /nfs/dbraw/zinc/59/88/23/565598823.db2.gz ULKLMYFQAFLCLA-QGZVFWFLSA-N 1 0 394.313 2.551 20 0 GFADRO CCO[C@H](CN1CCCN(S(=O)(=O)c2ccc(Cl)s2)CC1)C1CC1 ZINC000625118632 565599869 /nfs/dbraw/zinc/59/98/69/565599869.db2.gz JRDPMADDZWDFTK-CQSZACIVSA-N 1 0 392.974 2.913 20 0 GFADRO Cc1cc(Br)c(Cl)cc1NC(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000667690173 565601467 /nfs/dbraw/zinc/60/14/67/565601467.db2.gz RCEXPANWWMCRQY-LLVKDONJSA-N 1 0 389.725 2.778 20 0 GFADRO O=C(C[C@H]1CC[NH2+]C1)NCc1cc(Br)ccc1Br ZINC000646436558 565603865 /nfs/dbraw/zinc/60/38/65/565603865.db2.gz CQLPSLGRILQTIV-SECBINFHSA-N 1 0 376.092 2.827 20 0 GFADRO CCO[C@@H]1C[C@@]([NH3+])(C(=O)N2CCc3cc(Br)ccc3C2)C1(C)C ZINC000646513081 565605100 /nfs/dbraw/zinc/60/51/00/565605100.db2.gz KIJINWGEURLHSP-CRAIPNDOSA-N 1 0 381.314 2.866 20 0 GFADRO C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)c1cnn(-c2ccc(Br)cc2)c1 ZINC000646474656 565605459 /nfs/dbraw/zinc/60/54/59/565605459.db2.gz YYFZGCQTJVKILK-BLLLJJGKSA-N 1 0 377.286 2.799 20 0 GFADRO C[NH+]1CCC(CCNC(=O)[C@@H]2CCO[C@H]2c2cncc(Br)c2)CC1 ZINC000667772070 565605439 /nfs/dbraw/zinc/60/54/39/565605439.db2.gz VGZNIWMVHUMYLX-SJORKVTESA-N 1 0 396.329 2.770 20 0 GFADRO O=C(NCCc1ccccc1Br)Nc1cnc2c(c1)C[NH2+]CC2 ZINC000667795805 565606433 /nfs/dbraw/zinc/60/64/33/565606433.db2.gz QGINUCQYQXNQNM-UHFFFAOYSA-N 1 0 375.270 2.854 20 0 GFADRO O=S(=O)(c1ccc(CC[NH2+][C@@H]2CO[C@@H](C3CC3)C2)s1)N1CCCCC1 ZINC000667883825 565611004 /nfs/dbraw/zinc/61/10/04/565611004.db2.gz CSHVLDNGHRPBGQ-DOTOQJQBSA-N 1 0 384.567 2.622 20 0 GFADRO C[C@H]1C[C@@H](C(=O)Nc2nc3cc(I)ccc3[nH]2)CC[N@@H+]1C ZINC000598428362 565617129 /nfs/dbraw/zinc/61/71/29/565617129.db2.gz OEYFDZXYHDKEIS-UWVGGRQHSA-N 1 0 398.248 2.836 20 0 GFADRO CCCN(C(=O)C(=O)Nc1cc(Br)c(C)cc1C)[C@@H]1CC[N@H+](C)C1 ZINC000646763817 565618181 /nfs/dbraw/zinc/61/81/81/565618181.db2.gz JDKQNZUKEDDODD-CQSZACIVSA-N 1 0 396.329 2.947 20 0 GFADRO O=C(c1cc(Br)cc2c1OCCO2)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000668009014 565618430 /nfs/dbraw/zinc/61/84/30/565618430.db2.gz KOQDEZVAGHLKNH-ZDUSSCGKSA-N 1 0 381.270 2.531 20 0 GFADRO CC[C@@H]1CN(C(=O)c2ccc(F)cc2I)C[C@H](C)[NH2+]1 ZINC000598535860 565623139 /nfs/dbraw/zinc/62/31/39/565623139.db2.gz KBZPUCGYHFXYOD-GXSJLCMTSA-N 1 0 376.213 2.643 20 0 GFADRO COC(=O)c1sc2c(c1Br)CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2 ZINC000598542121 565624712 /nfs/dbraw/zinc/62/47/12/565624712.db2.gz BIEUXOUHZUMGTO-GFCCVEGCSA-N 1 0 389.315 2.726 20 0 GFADRO COc1cc(CN2C[C@@H]([NH+]3CCCC3)[C@@H](SC)C2)c(Br)cn1 ZINC000598602997 565628767 /nfs/dbraw/zinc/62/87/67/565628767.db2.gz DVMXGCSLMHRUGO-CABCVRRESA-N 1 0 386.359 2.864 20 0 GFADRO Cc1cc(Br)sc1S(=O)(=O)NC[C@@H]1CCCC[N@@H+](C)C1 ZINC000625424420 565629102 /nfs/dbraw/zinc/62/91/02/565629102.db2.gz JQUVFPLZKWRZDG-NSHDSACASA-N 1 0 381.361 2.829 20 0 GFADRO Cc1ccc(Br)c(S(=O)(=O)NC[C@@H]2CCCC[N@@H+](C)C2)c1 ZINC000625423741 565629422 /nfs/dbraw/zinc/62/94/22/565629422.db2.gz YMKAHZDUXIZXSB-ZDUSSCGKSA-N 1 0 375.332 2.768 20 0 GFADRO CC1(C)COCCN1CCNC(=O)Cc1c(Cl)cccc1Br ZINC000668168936 565631525 /nfs/dbraw/zinc/63/15/25/565631525.db2.gz DJPZHDWJQRSFMA-UHFFFAOYSA-N 1 0 389.721 2.872 20 0 GFADRO CC[C@@H]1CN(C(=O)CNC(=O)c2sc3ccccc3c2Cl)CC[C@@H]1[NH3+] ZINC000647006543 565632332 /nfs/dbraw/zinc/63/23/32/565632332.db2.gz RSFRBPCZOXSYDN-YPMHNXCESA-N 1 0 379.913 2.870 20 0 GFADRO CC[C@@H]1CN(C(=O)[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)CC[C@H]1[NH3+] ZINC000647008993 565632354 /nfs/dbraw/zinc/63/23/54/565632354.db2.gz XFIDBWOQDCJVNW-AXAPSJFSSA-N 1 0 384.307 2.932 20 0 GFADRO [NH3+][C@]12CCC[C@@H]1CN(C(=O)c1cc(F)c(F)cc1I)C2 ZINC000598668457 565632961 /nfs/dbraw/zinc/63/29/61/565632961.db2.gz TVIDJAKLIPYJTQ-CLAHSXSESA-N 1 0 392.187 2.523 20 0 GFADRO COc1ccc(Br)cc1C[C@H](CO)C[NH2+][C@H]1CO[C@H](C2CC2)C1 ZINC000668225389 565633582 /nfs/dbraw/zinc/63/35/82/565633582.db2.gz LJYDBQFEPHMRLD-XZOAIXRZSA-N 1 0 384.314 2.766 20 0 GFADRO CN(CC1CC[NH+](C)CC1)C(=O)c1cc(Br)cc2c1OCCO2 ZINC000668234181 565634965 /nfs/dbraw/zinc/63/49/65/565634965.db2.gz BNRCHMMYLJRQND-UHFFFAOYSA-N 1 0 383.286 2.634 20 0 GFADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)Cc1c(Cl)cccc1Br ZINC000668262215 565636320 /nfs/dbraw/zinc/63/63/20/565636320.db2.gz JZNLJHSFDAKXQU-LBPRGKRZSA-N 1 0 389.721 2.872 20 0 GFADRO O=C1Nc2ccc(Br)cc2CC[C@@H]1[N@H+]1C[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC000625530630 565636574 /nfs/dbraw/zinc/63/65/74/565636574.db2.gz QTNNAZQEBXEZAA-CXUGXGMPSA-N 1 0 379.298 2.795 20 0 GFADRO CCN(C(=O)C(=O)N[C@H](C)c1ccc(Br)cc1)[C@@H]1CC[N@H+](CC)C1 ZINC000668365201 565643628 /nfs/dbraw/zinc/64/36/28/565643628.db2.gz FEYRNAWXBPZKGI-CZUORRHYSA-N 1 0 396.329 2.569 20 0 GFADRO COc1ccccc1[C@@H]([NH3+])CNS(=O)(=O)c1cc(C)cc(Br)c1 ZINC000647187121 565644270 /nfs/dbraw/zinc/64/42/70/565644270.db2.gz DIZXDTPFWNYPGD-HNNXBMFYSA-N 1 0 399.310 2.744 20 0 GFADRO Cc1cc(Cl)ccc1S(=O)(=O)NCC[NH2+]Cc1ccnn1CC(C)C ZINC000647210968 565645924 /nfs/dbraw/zinc/64/59/24/565645924.db2.gz KCMFJDRNBXJUIE-UHFFFAOYSA-N 1 0 384.933 2.569 20 0 GFADRO CCOc1c(Br)cc(C[NH2+]CCCc2ncn(C)n2)cc1OC ZINC000647230824 565646728 /nfs/dbraw/zinc/64/67/28/565646728.db2.gz RFVUFARKTQSAEQ-UHFFFAOYSA-N 1 0 383.290 2.707 20 0 GFADRO Brc1ccc(-n2cc(C[N@@H+]3CC[C@H](Cn4ccnn4)C3)cn2)cc1 ZINC000668451769 565647546 /nfs/dbraw/zinc/64/75/46/565647546.db2.gz MKPZBZXVENIMRS-AWEZNQCLSA-N 1 0 387.285 2.748 20 0 GFADRO O=S(=O)(Cc1ccc(Br)cc1Cl)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000647249970 565649044 /nfs/dbraw/zinc/64/90/44/565649044.db2.gz XJYPNUYKDWFQRZ-CQSZACIVSA-N 1 0 393.734 2.618 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+][C@H]1CCS[C@@H]1C ZINC000647259250 565649756 /nfs/dbraw/zinc/64/97/56/565649756.db2.gz XKWMVVSGNBKYNG-WDMOLILDSA-N 1 0 387.343 2.946 20 0 GFADRO CO[C@H](CS(=O)(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1)C(C)C ZINC000647266953 565650746 /nfs/dbraw/zinc/65/07/46/565650746.db2.gz LWAYXJKRODIERP-GOSISDBHSA-N 1 0 386.583 2.691 20 0 GFADRO CO[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+][C@H]1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000668506264 565650834 /nfs/dbraw/zinc/65/08/34/565650834.db2.gz IMIIQGRDJRTLAB-QCEMKRCNSA-N 1 0 377.428 2.743 20 0 GFADRO COc1cc(OC)c(S(=O)(=O)N(CC[NH3+])Cc2ccccc2)cc1Cl ZINC000647267526 565650968 /nfs/dbraw/zinc/65/09/68/565650968.db2.gz KLDOJGAYUJCHQG-UHFFFAOYSA-N 1 0 384.885 2.507 20 0 GFADRO O=S(=O)(c1cc(Cl)c(Br)cc1F)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000647263898 565651007 /nfs/dbraw/zinc/65/10/07/565651007.db2.gz HTJBUJPRHSVUKJ-QPUJVOFHSA-N 1 0 397.697 2.614 20 0 GFADRO CC(C)(C)OC(=O)c1ccc(C[NH2+][C@H]2CCN(CC(F)(F)F)C2=O)s1 ZINC000598964141 565651434 /nfs/dbraw/zinc/65/14/34/565651434.db2.gz KUMPIRFIFGMHMB-NSHDSACASA-N 1 0 378.416 2.956 20 0 GFADRO CC[C@@H]1CN(S(=O)(=O)Cc2cc(Cl)ccc2Br)CC[C@@H]1[NH3+] ZINC000647270208 565651505 /nfs/dbraw/zinc/65/15/05/565651505.db2.gz RWJUMNAGHWMXMG-YGRLFVJLSA-N 1 0 395.750 2.992 20 0 GFADRO [NH3+]CC[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Br)cc2Cl)C1 ZINC000647287438 565653791 /nfs/dbraw/zinc/65/37/91/565653791.db2.gz FRBZCPGNOCTBEL-NSHDSACASA-N 1 0 395.750 2.993 20 0 GFADRO O=S(=O)(Cc1cccc(Br)c1)NCc1ccc2c(c1)C[NH2+]C2 ZINC000647286620 565654499 /nfs/dbraw/zinc/65/44/99/565654499.db2.gz HAFYOWQXOCHRQY-UHFFFAOYSA-N 1 0 381.295 2.672 20 0 GFADRO O=S(=O)(c1ccc(Br)s1)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647306993 565655212 /nfs/dbraw/zinc/65/52/12/565655212.db2.gz ONPFVUJXOIGHRK-NWDGAFQWSA-N 1 0 393.372 2.911 20 0 GFADRO O=S(=O)(Cc1ccc(Br)cc1Cl)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000647304749 565655680 /nfs/dbraw/zinc/65/56/80/565655680.db2.gz CXKPZDNOXOHXIW-IINYFYTJSA-N 1 0 393.734 2.616 20 0 GFADRO CC[C@@H]([NH2+][C@@H](C)c1ccc(S(C)(=O)=O)cc1)C(=O)NCc1cccs1 ZINC000647333070 565658277 /nfs/dbraw/zinc/65/82/77/565658277.db2.gz KXHIJCXIDBIKRU-SUMWQHHRSA-N 1 0 380.535 2.897 20 0 GFADRO O=S(=O)(Cc1ccc(Br)cc1Cl)NCCC[NH2+]C1CC1 ZINC000647324418 565658356 /nfs/dbraw/zinc/65/83/56/565658356.db2.gz VWOQKYYWTCENGC-UHFFFAOYSA-N 1 0 381.723 2.664 20 0 GFADRO COc1ccnc(C[NH2+][C@]2(CO)CCc3cc(Br)ccc3C2)c1 ZINC000625794861 565659272 /nfs/dbraw/zinc/65/92/72/565659272.db2.gz ONKDIRCNKHNTQE-GOSISDBHSA-N 1 0 377.282 2.862 20 0 GFADRO O=C(C[NH2+][C@@]1(CO)CCc2cc(Br)ccc2C1)NC1CCCCC1 ZINC000625795422 565660829 /nfs/dbraw/zinc/66/08/29/565660829.db2.gz VLWNEPSYNNZGJK-IBGZPJMESA-N 1 0 395.341 2.707 20 0 GFADRO CN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)CC[NH+](C2CC2)C2CC2)c1 ZINC000625836962 565662437 /nfs/dbraw/zinc/66/24/37/565662437.db2.gz JCGDCDMIVNZSFI-UHFFFAOYSA-N 1 0 385.917 2.546 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)Nc2cncc(Br)c2)CC[C@@H]1C(F)(F)F ZINC000625872466 565663315 /nfs/dbraw/zinc/66/33/15/565663315.db2.gz DMVLQRNAEVRBCM-KWQFWETISA-N 1 0 381.196 2.835 20 0 GFADRO COCCOc1ccc(Br)cc1NC(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000625875975 565663840 /nfs/dbraw/zinc/66/38/40/565663840.db2.gz QUYHQRGZHXYRRZ-AAEUAGOBSA-N 1 0 386.290 2.736 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)Cc1csc(NC(=O)c2cccs2)n1 ZINC000647616977 565666644 /nfs/dbraw/zinc/66/66/44/565666644.db2.gz DQBPBOFFEGMSGP-CHWSQXEVSA-N 1 0 378.523 2.598 20 0 GFADRO CCC(F)(F)C(C)(C)CS(=O)(=O)N1C[C@H](SC)[C@@H]([NH+]2CCCC2)C1 ZINC000599278434 565667635 /nfs/dbraw/zinc/66/76/35/565667635.db2.gz CZCXFVUKAJQZBK-KBPBESRZSA-N 1 0 384.558 2.899 20 0 GFADRO COC(=O)[C@@]1(C)CC[N@@H+]([C@@H]2CCc3cc(Br)ccc3NC2=O)C1 ZINC000599312839 565669004 /nfs/dbraw/zinc/66/90/04/565669004.db2.gz USYUGWLYHBMPBA-PBHICJAKSA-N 1 0 381.270 2.587 20 0 GFADRO O=C(Cc1cscn1)NC1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000668909898 565670263 /nfs/dbraw/zinc/67/02/63/565670263.db2.gz AUYAWLNPHNLCEF-UHFFFAOYSA-N 1 0 379.913 2.999 20 0 GFADRO COC1CC[NH+](CCNC(=O)[C@@H]2[C@@H]3Cc4c(cccc4Br)[C@@H]32)CC1 ZINC000626023606 565671249 /nfs/dbraw/zinc/67/12/49/565671249.db2.gz MDMGSXXHSINSMU-BPQIPLTHSA-N 1 0 393.325 2.562 20 0 GFADRO C[C@@H]1C[C@@H](c2ccc(Br)cc2)C[N@@H+]1CCN1C(=O)NC(C)(C)C1=O ZINC000626040077 565672052 /nfs/dbraw/zinc/67/20/52/565672052.db2.gz WMSNRVDGFKJRAN-TZMCWYRMSA-N 1 0 394.313 2.957 20 0 GFADRO C[N@H+](C[C@H](O)COc1ccc(Cl)cc1Br)C[C@H]1C[C@@H](O)C1 ZINC000626044120 565672083 /nfs/dbraw/zinc/67/20/83/565672083.db2.gz QFMLCEFXGLOHSR-UHTWSYAYSA-N 1 0 378.694 2.545 20 0 GFADRO CN(Cc1nnnn1-c1ccc(Cl)cc1C(F)(F)F)C[C@H]1C[C@@H](O)C1 ZINC000626043718 565673016 /nfs/dbraw/zinc/67/30/16/565673016.db2.gz ADCPJEDIFKULCI-JGZJWPJOSA-N 1 0 375.782 2.537 20 0 GFADRO OCC[C@@H]([NH2+]C[C@@H](O)COC1CCOCC1)c1cc(Cl)cc(Cl)c1 ZINC000626101466 565675483 /nfs/dbraw/zinc/67/54/83/565675483.db2.gz TWURSNXCKNUIRW-NVXWUHKLSA-N 1 0 378.296 2.563 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc(Br)cc3[nH]c(=O)[nH]c32)C[C@H]1C ZINC000669064257 565676309 /nfs/dbraw/zinc/67/63/09/565676309.db2.gz ILACRZDTLDQSAV-PWSUYJOCSA-N 1 0 395.301 2.976 20 0 GFADRO C[N@@H+]1CCC[C@H]1[C@H]1COCCN1C(=O)CCc1cccc(Br)c1 ZINC000647824022 565678446 /nfs/dbraw/zinc/67/84/46/565678446.db2.gz RIQZHDZIJWHCRX-DLBZAZTESA-N 1 0 381.314 2.703 20 0 GFADRO CN1CC[NH+](CC2CN(C(=O)CSc3cc(Cl)ccc3Cl)C2)CC1 ZINC000647824866 565679246 /nfs/dbraw/zinc/67/92/46/565679246.db2.gz BNSJZEGJXOATSG-UHFFFAOYSA-N 1 0 388.364 2.791 20 0 GFADRO C[C@H](NC(=O)c1cc(Br)cc2[nH]c(=O)[nH]c21)C(C)(C)C[NH+](C)C ZINC000669154077 565680159 /nfs/dbraw/zinc/68/01/59/565680159.db2.gz CEECPEAPIADPHA-VIFPVBQESA-N 1 0 383.290 2.737 20 0 GFADRO C[C@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)N1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000647860601 565681346 /nfs/dbraw/zinc/68/13/46/565681346.db2.gz OFRBAZBTPGXROC-RBZYPMLTSA-N 1 0 379.810 2.734 20 0 GFADRO COC[C@]1(C)C[N@H+](CCC(=O)Nc2ccc(Br)cc2F)CCO1 ZINC000626173341 565681668 /nfs/dbraw/zinc/68/16/68/565681668.db2.gz SATFNALPWPCHKN-INIZCTEOSA-N 1 0 389.265 2.654 20 0 GFADRO COCCC[N@H+](C)CCNC(=O)c1cc(-c2ccc(Br)cc2)no1 ZINC000669187759 565681712 /nfs/dbraw/zinc/68/17/12/565681712.db2.gz PXRMWWUKIGHQEM-UHFFFAOYSA-N 1 0 396.285 2.802 20 0 GFADRO CC1(OCC(=O)Nc2nc(-c3cccc(Br)c3)cs2)C[NH2+]C1 ZINC000647893638 565682324 /nfs/dbraw/zinc/68/23/24/565682324.db2.gz VMAHAFMODBBXKN-UHFFFAOYSA-N 1 0 382.283 2.890 20 0 GFADRO CC[NH2+]CCCNC(=O)N[C@H](C)c1cc2c(cc1Br)OCCO2 ZINC000669399060 565686746 /nfs/dbraw/zinc/68/67/46/565686746.db2.gz IBPOCSUZEJWXQO-LLVKDONJSA-N 1 0 386.290 2.580 20 0 GFADRO C[C@@H](NC(=O)NC[C@H]1CCCC[NH2+]1)c1cc2c(cc1Br)OCCO2 ZINC000669399044 565687343 /nfs/dbraw/zinc/68/73/43/565687343.db2.gz ATMSICCERNVNPR-VXGBXAGGSA-N 1 0 398.301 2.723 20 0 GFADRO COc1ccc(Br)cc1C1([NH2+]C[C@@H]2CNc3ccnn3C2)CC1 ZINC000648052084 565688811 /nfs/dbraw/zinc/68/88/11/565688811.db2.gz JLWVSPRGAWJZGX-LBPRGKRZSA-N 1 0 377.286 2.975 20 0 GFADRO C[C@@H](NC(=O)NCC[NH2+]C1CC1)c1nc(-c2ccc(Br)cc2)no1 ZINC000669532671 565691296 /nfs/dbraw/zinc/69/12/96/565691296.db2.gz JLEZMJVKBAMWTF-SNVBAGLBSA-N 1 0 394.273 2.611 20 0 GFADRO CC(=O)N[C@H](CC(=O)N[C@@H]1[C@H](C)CC[NH2+][C@@H]1C)c1ccc(Br)cc1 ZINC000648136495 565691453 /nfs/dbraw/zinc/69/14/53/565691453.db2.gz MMWGVOCWRIBKFV-INWDNEFGSA-N 1 0 396.329 2.519 20 0 GFADRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)Nc1cc(I)ccc1Cl ZINC000599601285 565692389 /nfs/dbraw/zinc/69/23/89/565692389.db2.gz NZQTYQCDPUXUAE-OIBJUYFYSA-N 1 0 379.629 2.817 20 0 GFADRO CC1([NH3+])CCN(C(=O)N[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)CC1 ZINC000669553886 565692407 /nfs/dbraw/zinc/69/24/07/565692407.db2.gz LGNINOZVNDBRDQ-CQSZACIVSA-N 1 0 385.295 2.622 20 0 GFADRO C[C@H](CC(=O)N1CC[NH2+]C[C@H]1c1ccccc1)n1cc(Br)cn1 ZINC000648177546 565692516 /nfs/dbraw/zinc/69/25/16/565692516.db2.gz GSXZJRAEXPAHJF-CJNGLKHVSA-N 1 0 377.286 2.770 20 0 GFADRO COc1cc(Br)ccc1CCCNC(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000669557540 565692628 /nfs/dbraw/zinc/69/26/28/565692628.db2.gz UOHXXYVMBXHFQI-OAHLLOKOSA-N 1 0 384.318 2.832 20 0 GFADRO COc1cc(I)ccc1NC(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000599604516 565692909 /nfs/dbraw/zinc/69/29/09/565692909.db2.gz AXFVVYIXIMQKCN-KOLCDFICSA-N 1 0 389.237 2.562 20 0 GFADRO O=C(NCC1C[NH2+]C1)N[C@H](Cc1ccccn1)c1ccc(Br)cc1 ZINC000669568738 565693330 /nfs/dbraw/zinc/69/33/30/565693330.db2.gz QWYPBPUZDHPVLY-QGZVFWFLSA-N 1 0 389.297 2.647 20 0 GFADRO O=C(NCCc1c[nH]c2cccc(Br)c12)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000669588513 565694226 /nfs/dbraw/zinc/69/42/26/565694226.db2.gz WZAOCRIJQPKZRY-BLLLJJGKSA-N 1 0 391.313 2.866 20 0 GFADRO COC(=O)CN(C)C(=O)CC[N@@H+]1C[C@@H](c2ccc(Br)cc2)C[C@H]1C ZINC000599653876 565694633 /nfs/dbraw/zinc/69/46/33/565694633.db2.gz WIIAWFOHDHAWRH-HIFRSBDPSA-N 1 0 397.313 2.648 20 0 GFADRO O=C(N[C@H]1CCOc2c(Br)cccc21)[C@@H]1CCc2nccn2C1 ZINC000669727268 565699957 /nfs/dbraw/zinc/69/99/57/565699957.db2.gz FKYTUOGYBSDMHL-RISCZKNCSA-N 1 0 376.254 2.848 20 0 GFADRO C[C@@H]([NH2+][C@@H](C)c1ccsc1)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC000669828065 565703014 /nfs/dbraw/zinc/70/30/14/565703014.db2.gz BAZIDQZSWDTCGP-QWHCGFSZSA-N 1 0 381.523 2.676 20 0 GFADRO CC[N@H+](CCO)CCNC(=O)Nc1cc(Cl)c(Br)cc1F ZINC000626666247 565707218 /nfs/dbraw/zinc/70/72/18/565707218.db2.gz WXRFWDHSGJVASI-UHFFFAOYSA-N 1 0 382.661 2.677 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)C(=O)Nc2ccc(Cl)cc2Cl)CC[C@H]1C(F)(F)F ZINC000626861172 565713517 /nfs/dbraw/zinc/71/35/17/565713517.db2.gz LMHNLXKPMABIAZ-WCBMZHEXSA-N 1 0 398.212 2.918 20 0 GFADRO CC(C)c1cc(Br)ccc1NC(=O)C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000626890959 565714343 /nfs/dbraw/zinc/71/43/43/565714343.db2.gz RNLRDKLOXNDPHO-YPMHNXCESA-N 1 0 382.302 2.768 20 0 GFADRO C[C@H]1CC[C@@H](NC(=O)C(=O)Nc2ccccc2SCC(F)(F)F)C[NH2+]1 ZINC000626887204 565714404 /nfs/dbraw/zinc/71/44/04/565714404.db2.gz RKRLVFANRXWWOL-WDEREUQCSA-N 1 0 375.416 2.536 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)NCCOc2cccc(Cl)c2)CC[C@H]1C(F)(F)F ZINC000626941191 565715929 /nfs/dbraw/zinc/71/59/29/565715929.db2.gz YWKGATUJGXQTIT-BXUZGUMPSA-N 1 0 379.810 2.888 20 0 GFADRO C[NH2+]CCOCCN(C)C(=O)N[C@@H](C)CCc1ccc(Br)cc1 ZINC000626945261 565716036 /nfs/dbraw/zinc/71/60/36/565716036.db2.gz AIXGQULAHSMOMQ-AWEZNQCLSA-N 1 0 386.334 2.648 20 0 GFADRO CN(CCOCC[NH3+])C(=O)N[C@H](c1ccc(Br)cc1)C1CCC1 ZINC000626944967 565716119 /nfs/dbraw/zinc/71/61/19/565716119.db2.gz PMVFFTSZOXAGKD-INIZCTEOSA-N 1 0 384.318 2.907 20 0 GFADRO O=C1CCCN1C[C@H](O)C[NH2+][C@@H]1CCCCc2cc(Br)ccc21 ZINC000670155061 565716237 /nfs/dbraw/zinc/71/62/37/565716237.db2.gz HKMBRTQDZYOZJY-NVXWUHKLSA-N 1 0 381.314 2.790 20 0 GFADRO [NH3+]CCCOCCNC(=O)NCC1(c2ccc(Br)cc2)CCCC1 ZINC000626983477 565717690 /nfs/dbraw/zinc/71/76/90/565717690.db2.gz MTVVPVCMQJQZOU-UHFFFAOYSA-N 1 0 398.345 2.926 20 0 GFADRO COc1cc(C[N@H+](C)CC2(C)COC2)cc(I)c1OC ZINC000600188294 565717839 /nfs/dbraw/zinc/71/78/39/565717839.db2.gz BZPCGNOFIPISBN-UHFFFAOYSA-N 1 0 391.249 2.777 20 0 GFADRO O=C(NCC[NH+]1CCCC1)C(=O)Nc1ccc(-c2ccc(Cl)s2)nc1 ZINC000670201030 565717891 /nfs/dbraw/zinc/71/78/91/565717891.db2.gz MSMYNHGKDLUJGY-UHFFFAOYSA-N 1 0 378.885 2.614 20 0 GFADRO C[C@@H]1CC[C@@H](NC(=O)NCCOc2ncc(C(F)(F)F)cc2Cl)C[NH2+]1 ZINC000626985147 565718155 /nfs/dbraw/zinc/71/81/55/565718155.db2.gz PWISGRBZGKBRDW-MWLCHTKSSA-N 1 0 380.798 2.572 20 0 GFADRO CCN1CCN(C(=O)C(=O)Nc2cccc(Br)c2Cl)C[C@H]1C ZINC000670206821 565718558 /nfs/dbraw/zinc/71/85/58/565718558.db2.gz WVLDJYVTDFIRBW-SNVBAGLBSA-N 1 0 388.693 2.594 20 0 GFADRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NCc1nc2cc(Br)ccc2n1CC ZINC000627019654 565719708 /nfs/dbraw/zinc/71/97/08/565719708.db2.gz KTAWUQGXKULREZ-QWHCGFSZSA-N 1 0 394.317 2.758 20 0 GFADRO [NH3+]C1(CNC(=O)NCc2cnc(-c3ccc(Cl)cc3)s2)CCOCC1 ZINC000627033080 565720630 /nfs/dbraw/zinc/72/06/30/565720630.db2.gz YRIWYBXBAILEOY-UHFFFAOYSA-N 1 0 380.901 2.771 20 0 GFADRO COc1ncc(Br)cc1CNC(=O)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000627080692 565721058 /nfs/dbraw/zinc/72/10/58/565721058.db2.gz RXIDHFJHYOUPAQ-LLVKDONJSA-N 1 0 393.285 2.872 20 0 GFADRO O=C(c1cc(F)ccc1Br)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000670392978 565721401 /nfs/dbraw/zinc/72/14/01/565721401.db2.gz MSJYVLZMPADPTI-CQSZACIVSA-N 1 0 385.277 2.915 20 0 GFADRO O=C(Cc1ccc(F)c(Br)c1)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000670390651 565721896 /nfs/dbraw/zinc/72/18/96/565721896.db2.gz LZQFLBIDCQSKBY-HNNXBMFYSA-N 1 0 399.304 2.844 20 0 GFADRO O=C(COc1ccc(Br)cc1)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000670392738 565721969 /nfs/dbraw/zinc/72/19/69/565721969.db2.gz HHKPOOOLGXZQOF-MRXNPFEDSA-N 1 0 397.313 2.541 20 0 GFADRO [NH3+]C1(CNC(=O)N2CCC[C@H]2c2ccc(Br)cc2)CCOCC1 ZINC000627152608 565723940 /nfs/dbraw/zinc/72/39/40/565723940.db2.gz ZKCNCHURDAVJSZ-HNNXBMFYSA-N 1 0 382.302 2.804 20 0 GFADRO O=C(NCc1ccc(Cl)cc1Cl)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000670491284 565725403 /nfs/dbraw/zinc/72/54/03/565725403.db2.gz SPKAMAKJMRCDSV-HNNXBMFYSA-N 1 0 384.307 2.696 20 0 GFADRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)c2c3ccc(Br)cc3nn2C)C1 ZINC000648753457 565725798 /nfs/dbraw/zinc/72/57/98/565725798.db2.gz VLKXQUOZSIDEEN-LBPRGKRZSA-N 1 0 379.302 2.796 20 0 GFADRO CC1(c2ccc(Br)cc2)CCN(C(=O)NCCOCCC[NH3+])CC1 ZINC000627217264 565727524 /nfs/dbraw/zinc/72/75/24/565727524.db2.gz KOIFEFJYNIKLJS-UHFFFAOYSA-N 1 0 398.345 2.878 20 0 GFADRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCC(Nc2cccc(Br)c2)CC1 ZINC000627244845 565727891 /nfs/dbraw/zinc/72/78/91/565727891.db2.gz RTHOSDUROHCHET-BLLLJJGKSA-N 1 0 381.318 2.785 20 0 GFADRO Cc1ccc(CN(C[C@H]2CCCO2)C(=O)N[C@@H]2CC[NH2+]C2)c(Br)c1 ZINC000627250845 565728475 /nfs/dbraw/zinc/72/84/75/565728475.db2.gz JFUHLYSZVPGWSC-HZPDHXFCSA-N 1 0 396.329 2.810 20 0 GFADRO O=C(COc1cc(Cl)c(Cl)cc1Cl)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000627252201 565728872 /nfs/dbraw/zinc/72/88/72/565728872.db2.gz NYYGICLAGPJVKE-WDEREUQCSA-N 1 0 393.698 2.693 20 0 GFADRO Cc1cc(Br)cc2c(C(=O)N3CC[C@H]([N@@H+]4CC[C@H](O)C4)C3)coc21 ZINC000627261574 565728932 /nfs/dbraw/zinc/72/89/32/565728932.db2.gz ACIQTVVVZLCMRC-KBPBESRZSA-N 1 0 393.281 2.785 20 0 GFADRO O=C(c1cc(Cl)cc(Br)c1F)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000627264030 565729665 /nfs/dbraw/zinc/72/96/65/565729665.db2.gz MXJROGXBQUJYKJ-WDEREUQCSA-N 1 0 391.668 2.523 20 0 GFADRO CCC(=O)N1CCC([NH2+]C[C@H](CO)Cc2ccc(C)c(Br)c2)CC1 ZINC000648787011 565729858 /nfs/dbraw/zinc/72/98/58/565729858.db2.gz ADROTEDAEYXTHT-MRXNPFEDSA-N 1 0 397.357 2.899 20 0 GFADRO O=C(c1cc(F)c(Br)c(Cl)c1)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000627268086 565730094 /nfs/dbraw/zinc/73/00/94/565730094.db2.gz XGWKLMIDZSKIQJ-WDEREUQCSA-N 1 0 391.668 2.523 20 0 GFADRO O=C(c1ccc(OC(F)(F)F)c(Cl)c1)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000627272322 565731518 /nfs/dbraw/zinc/73/15/18/565731518.db2.gz MDTWDXCFDSPHLA-VXGBXAGGSA-N 1 0 378.778 2.520 20 0 GFADRO CCO[C@@H](CC[NH+](C)C)CNC(=O)c1c(F)ccc(Br)c1OC ZINC000648816162 565732076 /nfs/dbraw/zinc/73/20/76/565732076.db2.gz GSDLTPMXROKHOL-NSHDSACASA-N 1 0 391.281 2.683 20 0 GFADRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N(Cc1cccs1)Cc1cccs1 ZINC000627458123 565737348 /nfs/dbraw/zinc/73/73/48/565737348.db2.gz VHVAHAGLUHQRCH-JKSUJKDBSA-N 1 0 377.535 2.595 20 0 GFADRO O=C(NC[C@@H]1CCCC[N@H+]1CCO)c1cc2c(cncc2Br)s1 ZINC000648917818 565739597 /nfs/dbraw/zinc/73/95/97/565739597.db2.gz AARYSCMSLKRTAV-NSHDSACASA-N 1 0 398.326 2.635 20 0 GFADRO Cc1cc(C)c(C(=O)NC[C@H]2CCCC[N@@H+]2CCO)c(C)c1Br ZINC000627574722 565741922 /nfs/dbraw/zinc/74/19/22/565741922.db2.gz ORLZUHSDKMECJH-OAHLLOKOSA-N 1 0 383.330 2.951 20 0 GFADRO CCCN(C(=O)c1cc(Br)c2c(c1)OCCO2)[C@H]1CC[N@H+](C)C1 ZINC000649001574 565743986 /nfs/dbraw/zinc/74/39/86/565743986.db2.gz OULRBBUHNWDODN-ZDUSSCGKSA-N 1 0 383.286 2.777 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)NC[C@H]2CCCC[N@@H+](C)C2)cc1Br ZINC000627827050 565754596 /nfs/dbraw/zinc/75/45/96/565754596.db2.gz PEEJNONWHHWYFH-CQSZACIVSA-N 1 0 396.329 2.853 20 0 GFADRO Cc1cccc(NC(=O)C(=O)NC[C@@H]2CCCC[N@@H+](C)C2)c1Br ZINC000627827322 565754749 /nfs/dbraw/zinc/75/47/49/565754749.db2.gz VZSHLPLMQISLAY-ZDUSSCGKSA-N 1 0 382.302 2.544 20 0 GFADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)N1CCC[C@@H]1c1cccc(Br)c1 ZINC000600905206 565756637 /nfs/dbraw/zinc/75/66/37/565756637.db2.gz FMDSFGUOTUXEAN-IAGOWNOFSA-N 1 0 395.345 2.541 20 0 GFADRO CN(C)c1ncc(Br)cc1C(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000649363604 565759330 /nfs/dbraw/zinc/75/93/30/565759330.db2.gz IFFZYUSCHWKGPK-ZIAGYGMSSA-N 1 0 395.345 2.762 20 0 GFADRO O[C@@H](COc1cc(F)cc(Br)c1)C[N@@H+]1CC[C@@]2(C1)CCCOC2 ZINC000671255051 565759474 /nfs/dbraw/zinc/75/94/74/565759474.db2.gz YHJQWKQODCJQIX-NVXWUHKLSA-N 1 0 388.277 2.830 20 0 GFADRO Cc1ccc(NC(=O)c2cnn(CC[NH+](C)C)c2)cc1I ZINC000600941434 565760205 /nfs/dbraw/zinc/76/02/05/565760205.db2.gz XMVGGZAJXIXVDW-UHFFFAOYSA-N 1 0 398.248 2.610 20 0 GFADRO O=C(NC[C@H]1CC[N@@H+]1C1CCCC1)C(=O)Nc1cc(Br)ccc1F ZINC000627907417 565761344 /nfs/dbraw/zinc/76/13/44/565761344.db2.gz WRKOTVBXZHVXLJ-CYBMUJFWSA-N 1 0 398.276 2.660 20 0 GFADRO CN1CC[NH+]([C@H]2CC[C@@H](NC(=O)c3ccsc3Br)CC2)CC1 ZINC000649507707 565763010 /nfs/dbraw/zinc/76/30/10/565763010.db2.gz VNXJFOPNJGYWBA-BETUJISGSA-N 1 0 386.359 2.799 20 0 GFADRO Cc1cccc(CC(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)c1Br ZINC000628159229 565777483 /nfs/dbraw/zinc/77/74/83/565777483.db2.gz KOIKPBOQORFJDE-INIZCTEOSA-N 1 0 383.330 2.869 20 0 GFADRO CS[C@@H]1CN(C(=O)c2ccc3cncc(Br)c3n2)C[C@H]1[NH+](C)C ZINC000601379926 565779261 /nfs/dbraw/zinc/77/92/61/565779261.db2.gz PPGVFLGKLDNZFA-ZIAGYGMSSA-N 1 0 395.326 2.510 20 0 GFADRO Cc1cc(CN2CCC(C[NH+]3CCN(C)CC3)CC2)ncc1Br ZINC000628278410 565782106 /nfs/dbraw/zinc/78/21/06/565782106.db2.gz PJIYKQNGIVMBIZ-UHFFFAOYSA-N 1 0 381.362 2.612 20 0 GFADRO C[C@H](C[NH+]1CCOCC1)C(=O)NCC/C=C\c1ccc(Br)cc1 ZINC000628335338 565784437 /nfs/dbraw/zinc/78/44/37/565784437.db2.gz JOHDUXNRCUIOKN-NSRYLSIASA-N 1 0 381.314 2.937 20 0 GFADRO COCCC[C@@H](C[NH2+]C1CCN(S(C)(=O)=O)CC1)c1ccc(Cl)cc1 ZINC000671764458 565785502 /nfs/dbraw/zinc/78/55/02/565785502.db2.gz KWOTZVYBRURBHK-INIZCTEOSA-N 1 0 388.961 2.864 20 0 GFADRO C[N@H+](Cc1ccc(Br)c(Br)c1)[C@@]1(CO)CCOC1 ZINC000628367076 565785901 /nfs/dbraw/zinc/78/59/01/565785901.db2.gz LFAMRFXQRIILMR-CYBMUJFWSA-N 1 0 379.092 2.795 20 0 GFADRO CC(C)C[C@H](NC(=O)c1ccc(C(F)(F)F)s1)C(=O)NCC[NH+](C)C ZINC000671785544 565786458 /nfs/dbraw/zinc/78/64/58/565786458.db2.gz RHYJRPAVGGCXKB-NSHDSACASA-N 1 0 379.448 2.589 20 0 GFADRO C[C@H]1CN(C(=O)c2ccc(C(F)(F)F)s2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000671786629 565786691 /nfs/dbraw/zinc/78/66/91/565786691.db2.gz DPJAJOGGUJABTE-STQMWFEESA-N 1 0 375.460 2.865 20 0 GFADRO Cc1nn(-c2ccccc2Br)cc1C[N@@H+](C)[C@@H]1CCC(=O)N(C)C1 ZINC000628368876 565787661 /nfs/dbraw/zinc/78/76/61/565787661.db2.gz CVIYXGYMMJWCOT-OAHLLOKOSA-N 1 0 391.313 2.996 20 0 GFADRO COC(=O)c1cc(NC(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)c(C)cc1Br ZINC000601556812 565791223 /nfs/dbraw/zinc/79/12/23/565791223.db2.gz GXVABGSDVKNKRC-PHIMTYICSA-N 1 0 382.258 2.512 20 0 GFADRO CNS(=O)(=O)C[C@@H]1CCC[N@H+](C[C@@H](C)c2cccc(Br)c2)C1 ZINC000628496112 565792592 /nfs/dbraw/zinc/79/25/92/565792592.db2.gz IUYMAEQGFCWQBZ-ZIAGYGMSSA-N 1 0 389.359 2.814 20 0 GFADRO CNS(=O)(=O)C[C@H]1CCC[N@H+](Cc2cnc(-c3ccccc3F)s2)C1 ZINC000628495942 565792794 /nfs/dbraw/zinc/79/27/94/565792794.db2.gz DQGHOOPTTSSHJB-ZDUSSCGKSA-N 1 0 383.514 2.710 20 0 GFADRO C[C@@H](NC(=O)C(=O)N(C)Cc1cc(Cl)cc(Cl)c1)C1CC[NH+](C)CC1 ZINC000672011246 565794252 /nfs/dbraw/zinc/79/42/52/565794252.db2.gz RGBTVBSWWZNYIR-GFCCVEGCSA-N 1 0 386.323 2.798 20 0 GFADRO Cc1nc2ccc(Br)cn2c1C(=O)N1[C@H](C)C[N@H+](C)[C@H](C)[C@H]1C ZINC000650154859 565800408 /nfs/dbraw/zinc/80/04/08/565800408.db2.gz RDOWPJOFHYOGIQ-RAIGVLPGSA-N 1 0 379.302 2.958 20 0 GFADRO C[C@@H]1[C@@H](C)[N@@H+](C)C[C@H](C)N1C(=O)CSc1nnc(-c2cccs2)n1C ZINC000650150587 565801060 /nfs/dbraw/zinc/80/10/60/565801060.db2.gz XJWMWQWGWPTAAI-YNEHKIRRSA-N 1 0 379.555 2.575 20 0 GFADRO C[NH+](C)C[C@H](NC(=O)COC[C@@H]1CCCO1)c1ccc(Cl)c(Cl)c1 ZINC000628968165 565817551 /nfs/dbraw/zinc/81/75/51/565817551.db2.gz FMWQXDIUEIOGSP-BBRMVZONSA-N 1 0 375.296 2.908 20 0 GFADRO CO[C@H](C(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1)[C@@H]1CCOC1 ZINC000628969020 565817707 /nfs/dbraw/zinc/81/77/07/565817707.db2.gz JESIQZLWZBSYTP-WQVCFCJDSA-N 1 0 375.296 2.764 20 0 GFADRO CC[N@@H+]1C[C@H](C)N(C(=O)c2cnc3ncc(Br)cc3c2)C[C@@H]1C ZINC000672918470 565821539 /nfs/dbraw/zinc/82/15/39/565821539.db2.gz YTDGVGCWGLRWQI-RYUDHWBXSA-N 1 0 377.286 2.947 20 0 GFADRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2cnc3ncc(Br)cc3c2)C1 ZINC000672896253 565821698 /nfs/dbraw/zinc/82/16/98/565821698.db2.gz VGXOVONBPUPEAG-WBMJQRKESA-N 1 0 389.297 2.949 20 0 GFADRO CC[NH+]1CCN([C@H]2CCN(C(=O)c3cc(F)c(Cl)c(N)c3Cl)C2)CC1 ZINC000602099732 565823428 /nfs/dbraw/zinc/82/34/28/565823428.db2.gz YJKKDGYXQKUWLK-NSHDSACASA-N 1 0 389.302 2.567 20 0 GFADRO Cc1onc(-c2ccc(Cl)c(Cl)c2)c1C(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000629166748 565826518 /nfs/dbraw/zinc/82/65/18/565826518.db2.gz CNJAMADVZJTKJD-GFCCVEGCSA-N 1 0 384.263 2.753 20 0 GFADRO O=C(N[C@H]1C[C@@H]([NH+]2CCCC2)C1)c1csc(I)c1 ZINC000602168164 565827576 /nfs/dbraw/zinc/82/75/76/565827576.db2.gz VCCPNKTWUFXHMQ-PHIMTYICSA-N 1 0 376.263 2.709 20 0 GFADRO COC(=O)c1cc(Br)cc(C(=O)N[C@H]2C[C@@H]([NH+]3CCCC3)C2)c1 ZINC000602168608 565827648 /nfs/dbraw/zinc/82/76/48/565827648.db2.gz XPPMZSZPIJZZPY-GASCZTMLSA-N 1 0 381.270 2.592 20 0 GFADRO C[C@@H]1C[C@H](c2ccc(Br)cc2)CN1C(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000629248435 565831496 /nfs/dbraw/zinc/83/14/96/565831496.db2.gz VAHNBIBEVKFRSV-HFTRVMKXSA-N 1 0 392.341 2.543 20 0 GFADRO [NH3+]C[C@]12CCC[C@H]1CN(Cc1ccc(Br)cc1N1CCOCC1)C2 ZINC000650709664 565833133 /nfs/dbraw/zinc/83/31/33/565833133.db2.gz KZMBKIURNREJLL-LPHOPBHVSA-N 1 0 394.357 2.847 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2Cc2cnc3ccc(Br)cn23)C1 ZINC000650723197 565833978 /nfs/dbraw/zinc/83/39/78/565833978.db2.gz ITLUKOGBVDFJRX-OIISXLGYSA-N 1 0 393.329 2.958 20 0 GFADRO CSc1cc(C(=O)N2CC[C@H]([N@@H+]3CC[C@@H](O)C3)C2)c(Cl)cc1Cl ZINC000673513985 565839124 /nfs/dbraw/zinc/83/91/24/565839124.db2.gz DTDMSAHLWSUNLK-WDEREUQCSA-N 1 0 375.321 2.996 20 0 GFADRO COCC[N@@H+]1CC[C@@H](NC(=O)NC2(c3ccccc3Br)CCC2)C1 ZINC000650896265 565839731 /nfs/dbraw/zinc/83/97/31/565839731.db2.gz VCVMVUGGNKCOSH-CQSZACIVSA-N 1 0 396.329 2.848 20 0 GFADRO CC(C)OCC[NH+]1CCN(C[C@H](O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000673697076 565844798 /nfs/dbraw/zinc/84/47/98/565844798.db2.gz NSISGCMSVZGBAJ-HNNXBMFYSA-N 1 0 391.339 2.776 20 0 GFADRO C[S@](=O)C1(C(=O)Nc2ncc(Cc3cccc(Cl)c3)s2)CC[NH2+]CC1 ZINC000602440907 565848865 /nfs/dbraw/zinc/84/88/65/565848865.db2.gz MRCMYNMQJQLCIG-VWLOTQADSA-N 1 0 397.953 2.827 20 0 GFADRO C[C@H](CNC(=O)C1([S@](C)=O)CC[NH2+]CC1)c1c(Cl)cccc1Cl ZINC000602454506 565848949 /nfs/dbraw/zinc/84/89/49/565848949.db2.gz MWGLUYJKDOHMSJ-BGJPBQGDSA-N 1 0 377.337 2.714 20 0 GFADRO C[S@@](=O)C1(C(=O)Nc2nc(-c3cccc(Cl)c3)cs2)CC[NH2+]CC1 ZINC000602440124 565849002 /nfs/dbraw/zinc/84/90/02/565849002.db2.gz NWJDNMOXEFMTOF-XMMPIXPASA-N 1 0 383.926 2.903 20 0 GFADRO CC(C)c1nc(S(=O)(=O)NC[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)c[nH]1 ZINC000673823068 565849568 /nfs/dbraw/zinc/84/95/68/565849568.db2.gz UOFKYKCDQGPEAD-CZUORRHYSA-N 1 0 382.555 2.956 20 0 GFADRO C[NH+](C)CCn1cc(NC(=O)NCc2ccc(F)cc2Br)cn1 ZINC000673864606 565850217 /nfs/dbraw/zinc/85/02/17/565850217.db2.gz CEFZSYNHWOEBRM-UHFFFAOYSA-N 1 0 384.253 2.668 20 0 GFADRO O=C1[C@H]([NH2+][C@H]2CCc3cc(Br)ccc32)CCN1C1CCOCC1 ZINC000673893652 565852535 /nfs/dbraw/zinc/85/25/35/565852535.db2.gz LFLPYZKDTFILQF-DLBZAZTESA-N 1 0 379.298 2.806 20 0 GFADRO CSc1ccc(NC(=O)C2([S@](C)=O)CC[NH2+]CC2)cc1Br ZINC000602534104 565854163 /nfs/dbraw/zinc/85/41/63/565854163.db2.gz OAXUCMKSLKRSPE-NRFANRHFSA-N 1 0 391.356 2.610 20 0 GFADRO CCN(CC[NH3+])C(=O)[C@H](CCSC)NC(=O)c1ccc(Cl)cc1Cl ZINC000602533711 565854253 /nfs/dbraw/zinc/85/42/53/565854253.db2.gz AGZASEUHVQAFRT-AWEZNQCLSA-N 1 0 392.352 2.652 20 0 GFADRO COC(=O)CC[C@@H]([NH3+])C(=O)N1CCC[C@@H]1c1ccc(Br)cc1C ZINC000602555374 565855363 /nfs/dbraw/zinc/85/53/63/565855363.db2.gz MAJLKCQCRNXPPO-HUUCEWRRSA-N 1 0 383.286 2.702 20 0 GFADRO COC(=O)C(C)(C)[C@@H]1CCC[N@H+](Cc2cnn3cc(Br)cnc23)C1 ZINC000602595333 565856738 /nfs/dbraw/zinc/85/67/38/565856738.db2.gz HVHHNCCDYSDUIU-CYBMUJFWSA-N 1 0 395.301 2.903 20 0 GFADRO [NH3+][C@H]1CC[C@H](NC(=O)c2ccc(I)cc2Cl)CC1 ZINC000602604979 565857452 /nfs/dbraw/zinc/85/74/52/565857452.db2.gz UDEJMVIOEYXCJP-MGCOHNPYSA-N 1 0 378.641 2.944 20 0 GFADRO COc1ccc(Cl)cc1NC(=O)CN1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629567196 565859212 /nfs/dbraw/zinc/85/92/12/565859212.db2.gz PAQSTGXUWNPXOS-ZYHUDNBSSA-N 1 0 379.810 2.746 20 0 GFADRO CSCC[C@H]([NH2+]Cc1ccc(I)s1)C(=O)N(C)C ZINC000602662409 565860957 /nfs/dbraw/zinc/86/09/57/565860957.db2.gz DTRAFWUMRBCPDN-JTQLQIEISA-N 1 0 398.335 2.652 20 0 GFADRO O[C@@H](C[NH2+]C[C@H]1CCN1C1CCCC1)COc1ccc(Br)cc1 ZINC000629604193 565863758 /nfs/dbraw/zinc/86/37/58/565863758.db2.gz STKRNJOBMQPIJB-SJORKVTESA-N 1 0 383.330 2.795 20 0 GFADRO CCOC(=O)CC1([NH2+]Cc2snc(OC)c2Br)CCOCC1 ZINC000602720328 565865295 /nfs/dbraw/zinc/86/52/95/565865295.db2.gz BUYLZMXEWILMTJ-UHFFFAOYSA-N 1 0 393.303 2.506 20 0 GFADRO Ic1ccc(C[NH2+]C2CCN([C@@H]3CCOC3)CC2)s1 ZINC000602719176 565865413 /nfs/dbraw/zinc/86/54/13/565865413.db2.gz USPHVHOCPQQNLQ-GFCCVEGCSA-N 1 0 392.306 2.696 20 0 GFADRO COC1CC[NH+](CCNC(=O)CCc2cc(Br)cs2)CC1 ZINC000674309621 565867671 /nfs/dbraw/zinc/86/76/71/565867671.db2.gz DKYNJXOEKHLNGO-UHFFFAOYSA-N 1 0 375.332 2.670 20 0 GFADRO COC1CC[NH+](CCNC(=O)N[C@@H]2C[C@H]2c2cccc(Br)c2)CC1 ZINC000674328466 565869285 /nfs/dbraw/zinc/86/92/85/565869285.db2.gz PSGYFEMEEVMBJK-DLBZAZTESA-N 1 0 396.329 2.715 20 0 GFADRO Cc1cc(Br)sc1S(=O)(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000651554026 565871489 /nfs/dbraw/zinc/87/14/89/565871489.db2.gz QZQIXCQBJMAFDR-NSHDSACASA-N 1 0 379.345 2.582 20 0 GFADRO Cc1cc(Br)sc1S(=O)(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000651607272 565879119 /nfs/dbraw/zinc/87/91/19/565879119.db2.gz JCIBIWVPFMGPTB-NWDGAFQWSA-N 1 0 393.372 2.924 20 0 GFADRO C[NH+](C)[C@]1(CNC(=O)N2C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C2)CCSC1 ZINC000674639792 565879315 /nfs/dbraw/zinc/87/93/15/565879315.db2.gz YMSKWSAVAAZXBY-UMNHJUIQSA-N 1 0 393.397 2.806 20 0 GFADRO Cc1ccc(C[C@@H](CO)CNC(=O)C[N@@H+](C)C2CCC2)cc1Br ZINC000630004948 565879665 /nfs/dbraw/zinc/87/96/65/565879665.db2.gz MZMCEMYSROCATJ-OAHLLOKOSA-N 1 0 383.330 2.509 20 0 GFADRO C[C@@H](C(=O)OC(C)(C)C)n1cc([C@H]([NH3+])c2ccc(Br)cc2)nn1 ZINC000603201159 565889730 /nfs/dbraw/zinc/88/97/30/565889730.db2.gz FZRKQHUOSRKTNV-IINYFYTJSA-N 1 0 381.274 2.991 20 0 GFADRO Cc1cc(Br)sc1S(=O)(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000651738711 565889741 /nfs/dbraw/zinc/88/97/41/565889741.db2.gz VZSYIVKTMDVLBB-LLVKDONJSA-N 1 0 381.361 2.829 20 0 GFADRO CCOC(=O)c1nc(N2C[C@@H]([NH+](C)C)[C@@H](SC)C2)ccc1Br ZINC000603330270 565898272 /nfs/dbraw/zinc/89/82/72/565898272.db2.gz OQDZKWBAUKKTNA-NEPJUHHUSA-N 1 0 388.331 2.503 20 0 GFADRO C[C@H](CNC(=O)CCCc1cccc(Br)c1)C[NH+]1CCN(C)CC1 ZINC000675462541 565904020 /nfs/dbraw/zinc/90/40/20/565904020.db2.gz DRNKSHVASJPNHA-MRXNPFEDSA-N 1 0 396.373 2.772 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+]CC[C@]1(O)CCOC1 ZINC000651943389 565906141 /nfs/dbraw/zinc/90/61/41/565906141.db2.gz QGHSVAQAHYYNGO-KRWDZBQOSA-N 1 0 380.286 2.574 20 0 GFADRO OCCC1([NH2+]Cc2cc(Br)c3c(c2)OCCCO3)CCOCC1 ZINC000675554330 565909344 /nfs/dbraw/zinc/90/93/44/565909344.db2.gz WRRRBMYYHMNVBK-UHFFFAOYSA-N 1 0 386.286 2.632 20 0 GFADRO CC(C)c1nc(Cn2cc([C@H]([NH3+])c3ccc(Br)cc3)nn2)no1 ZINC000630601206 565911339 /nfs/dbraw/zinc/91/13/39/565911339.db2.gz HFGNZHPNVKEFHR-CQSZACIVSA-N 1 0 377.246 2.643 20 0 GFADRO Cc1ccc([C@H](C[NH2+]Cc2ccc(Br)cn2)N2CCOCC2)o1 ZINC000603720493 565914289 /nfs/dbraw/zinc/91/42/89/565914289.db2.gz LEYPCSMYIZJDBJ-INIZCTEOSA-N 1 0 380.286 2.909 20 0 GFADRO CS(=O)(=O)Nc1cccc(C[NH2+][C@H](CO)c2cccc(Br)c2)c1 ZINC000675765583 565914515 /nfs/dbraw/zinc/91/45/15/565914515.db2.gz LXYVOZZNCZFNHI-MRXNPFEDSA-N 1 0 399.310 2.644 20 0 GFADRO C[C@@H]([NH2+]CCn1nc2ccccn2c1=O)c1ccc(F)c(Br)c1 ZINC000675781164 565915170 /nfs/dbraw/zinc/91/51/70/565915170.db2.gz XAUFQJISAIWEIN-LLVKDONJSA-N 1 0 379.233 2.748 20 0 GFADRO CS(=O)(=O)N1CCC(C[NH2+][C@@H]2CCc3cc(Br)ccc32)CC1 ZINC000675794358 565916227 /nfs/dbraw/zinc/91/62/27/565916227.db2.gz HIDTWNMIGHCYSW-MRXNPFEDSA-N 1 0 387.343 2.698 20 0 GFADRO C[C@@H](CNC(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1)Oc1cccc(Br)c1 ZINC000652160980 565917718 /nfs/dbraw/zinc/91/77/18/565917718.db2.gz CCDCANJPTUIQFW-DEYYWGMASA-N 1 0 396.329 2.987 20 0 GFADRO O=C(NCCC1CC[NH2+]CC1)N[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000652146248 565917766 /nfs/dbraw/zinc/91/77/66/565917766.db2.gz NNFOWHQUNHUQBD-INIZCTEOSA-N 1 0 395.345 2.717 20 0 GFADRO CC[NH+]1CCN(CCCNC(=O)c2ccc(-c3csc(C)n3)s2)CC1 ZINC000630734180 565917849 /nfs/dbraw/zinc/91/78/49/565917849.db2.gz SMIMUEKCQIBZDZ-UHFFFAOYSA-N 1 0 378.567 2.937 20 0 GFADRO O=C(NCCC1CC[NH2+]CC1)N[C@@H](c1cncc(Br)c1)C1CC1 ZINC000652190475 565918531 /nfs/dbraw/zinc/91/85/31/565918531.db2.gz PECPNQPXVMEHIX-MRXNPFEDSA-N 1 0 381.318 2.984 20 0 GFADRO O=S1(=O)CC[C@H]([NH2+]CCC2(CO)CCC2)c2cc(Br)ccc21 ZINC000652312745 565921571 /nfs/dbraw/zinc/92/15/71/565921571.db2.gz ZEGWQCWKXXHNGY-AWEZNQCLSA-N 1 0 388.327 2.810 20 0 GFADRO Cc1cc(Br)sc1S(=O)(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652375974 565925411 /nfs/dbraw/zinc/92/54/11/565925411.db2.gz MRCVHYNGUYJYEG-GWCFXTLKSA-N 1 0 379.345 2.569 20 0 GFADRO O=C(N[C@H]1CC[N@@H+](C2CC2)C1)N1CCO[C@@H](c2cccc(Br)c2)C1 ZINC000604205689 565925908 /nfs/dbraw/zinc/92/59/08/565925908.db2.gz PTPCWPNOSYUGNH-DOTOQJQBSA-N 1 0 394.313 2.769 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(S(=O)(=O)c3cc(Cl)ccc3Cl)C2)C1 ZINC000652375124 565925987 /nfs/dbraw/zinc/92/59/87/565925987.db2.gz JGTQWIWMVUIYCT-KYOSRNDESA-N 1 0 393.336 2.900 20 0 GFADRO O=C(c1ccc2cncc(Br)c2n1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000630899188 565926226 /nfs/dbraw/zinc/92/62/26/565926226.db2.gz IIYBEBTWTGLWFA-ZDUSSCGKSA-N 1 0 375.270 2.703 20 0 GFADRO C[C@H]1CCCN(S(=O)(=O)c2ccc(F)c(Br)c2)[C@@H]1CC[NH3+] ZINC000652377908 565926467 /nfs/dbraw/zinc/92/64/67/565926467.db2.gz SBZVIDINXKVNKU-IINYFYTJSA-N 1 0 379.295 2.726 20 0 GFADRO C[C@@H]1CCCN(S(=O)(=O)c2ccc(F)c(Br)c2)[C@@H]1CC[NH3+] ZINC000652377909 565926588 /nfs/dbraw/zinc/92/65/88/565926588.db2.gz SBZVIDINXKVNKU-QMTHXVAHSA-N 1 0 379.295 2.726 20 0 GFADRO COC(=O)C[C@H]1CCCC[N@@H+]1C[C@H](O)COc1ccc(Br)cc1 ZINC000604306497 565927051 /nfs/dbraw/zinc/92/70/51/565927051.db2.gz VUSJYAYNLHWVLH-CABCVRRESA-N 1 0 386.286 2.606 20 0 GFADRO C[NH2+]Cc1ccccc1CNS(=O)(=O)Cc1cccc(Br)c1 ZINC000652382222 565927568 /nfs/dbraw/zinc/92/75/68/565927568.db2.gz LFHQLCCXLDYOGO-UHFFFAOYSA-N 1 0 383.311 2.788 20 0 GFADRO COCC[NH2+]C1CCN(C(=O)Nc2ccc(OC)c(Br)c2)CC1 ZINC000652578723 565933523 /nfs/dbraw/zinc/93/35/23/565933523.db2.gz YSAJZZMWCFSQJY-UHFFFAOYSA-N 1 0 386.290 2.690 20 0 GFADRO CN1CCN([C@@H](C[NH2+]Cc2ccncc2Br)c2cccs2)CC1 ZINC000631030035 565933682 /nfs/dbraw/zinc/93/36/82/565933682.db2.gz ILWSKCKAKXLTGO-INIZCTEOSA-N 1 0 395.370 2.984 20 0 GFADRO O=C(Nc1ccc(Cl)cc1Cl)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604667934 565934257 /nfs/dbraw/zinc/93/42/57/565934257.db2.gz OEJGBAKRYNDUKR-AWEZNQCLSA-N 1 0 387.311 2.521 20 0 GFADRO NS(=O)(=O)c1c(NCCC[NH+]2CCCCC2)cccc1OC(F)(F)F ZINC000631046943 565934552 /nfs/dbraw/zinc/93/45/52/565934552.db2.gz LALLOPKGZWFHTC-UHFFFAOYSA-N 1 0 381.420 2.521 20 0 GFADRO C[NH+](C)CC[C@@H](NC(=O)CS(=O)(=O)Cc1ccc(Cl)s1)C(C)(C)C ZINC000604726870 565934814 /nfs/dbraw/zinc/93/48/14/565934814.db2.gz XWXDKWIZTHXYHI-CYBMUJFWSA-N 1 0 394.990 2.799 20 0 GFADRO CC[C@@H](C[NH+]1CCCC1)NS(=O)(=O)c1cc(F)ccc1Br ZINC000676416719 565936128 /nfs/dbraw/zinc/93/61/28/565936128.db2.gz ZPJMFNSURUYVKU-LBPRGKRZSA-N 1 0 379.295 2.741 20 0 GFADRO C[C@H](COc1ccc(F)cc1F)[NH2+]Cc1ccc(Cl)c(S(N)(=O)=O)c1 ZINC000631050957 565936609 /nfs/dbraw/zinc/93/66/09/565936609.db2.gz NDFANKYRNVGSDB-SNVBAGLBSA-N 1 0 390.839 2.823 20 0 GFADRO C[C@H](Cc1ccc(F)c(Br)c1)[NH2+]Cc1cn(C[C@H]2CCOC2)nn1 ZINC000631088923 565939717 /nfs/dbraw/zinc/93/97/17/565939717.db2.gz IQVJEMXJFKFBIK-TZMCWYRMSA-N 1 0 397.292 2.937 20 0 GFADRO C[C@H](Cc1cc(Br)ccc1F)[NH2+]Cc1cn(C[C@H]2CCOC2)nn1 ZINC000631104436 565941252 /nfs/dbraw/zinc/94/12/52/565941252.db2.gz DACOKHQDUJLNBC-CHWSQXEVSA-N 1 0 397.292 2.937 20 0 GFADRO O=S(=O)(C[C@@H](O)C[NH2+]Cc1ccc(CC(F)(F)F)cc1)c1cccs1 ZINC000631099299 565941406 /nfs/dbraw/zinc/94/14/06/565941406.db2.gz IDAOWFVIGKFZDP-AWEZNQCLSA-N 1 0 393.452 2.777 20 0 GFADRO CO[C@@H](c1ccc(F)cc1)[C@@H](C)[NH2+]Cc1ccc(Cl)c(S(N)(=O)=O)c1 ZINC000631106371 565941542 /nfs/dbraw/zinc/94/15/42/565941542.db2.gz SDFLJVWPGHOYHX-PIGZYNQJSA-N 1 0 386.876 2.992 20 0 GFADRO COc1cc(C[NH2+][C@H](CO)C[C@@H](O)C(C)(C)C)c(F)cc1Br ZINC000631131194 565942265 /nfs/dbraw/zinc/94/22/65/565942265.db2.gz KPYKOQMSQLRCDD-XHDPSFHLSA-N 1 0 378.282 2.844 20 0 GFADRO COc1ccc(C[NH2+]C[C@@H](n2cncn2)C(F)(F)F)cc1Br ZINC000631211573 565948543 /nfs/dbraw/zinc/94/85/43/565948543.db2.gz DWLTUYJGMUSWIP-GFCCVEGCSA-N 1 0 379.180 2.942 20 0 GFADRO FC(F)(F)[C@@H](C[NH2+]Cc1cnc2ccc(Br)cn12)n1cncn1 ZINC000631212435 565948551 /nfs/dbraw/zinc/94/85/51/565948551.db2.gz XHTJFPMSJKRSOF-LLVKDONJSA-N 1 0 389.179 2.582 20 0 GFADRO Brc1ccc2c(c1)C[C@@H]1[C@H]2[C@H]1[NH2+]Cc1cn(Cc2cccnc2)nn1 ZINC000631222595 565950209 /nfs/dbraw/zinc/95/02/09/565950209.db2.gz SIHNUOBWXQBCHQ-QYZOEREBSA-N 1 0 396.292 2.912 20 0 GFADRO CN(CC[NH+]1CCCCC1)C(=O)c1cnc2ncc(Br)cc2c1 ZINC000652991541 565950967 /nfs/dbraw/zinc/95/09/67/565950967.db2.gz GWCQMZGBTFRYJV-UHFFFAOYSA-N 1 0 377.286 2.950 20 0 GFADRO CCOc1c(Br)cc(C[NH2+]CCc2nncn2CC)cc1OC ZINC000605439705 565952670 /nfs/dbraw/zinc/95/26/70/565952670.db2.gz RXJWEEAGEXYTMG-UHFFFAOYSA-N 1 0 383.290 2.800 20 0 GFADRO C[NH+](C)CC[C@@H](N)C(=O)N1CCCC[C@@H]1Cc1cccc(Br)c1 ZINC000653166006 565957168 /nfs/dbraw/zinc/95/71/68/565957168.db2.gz QDYLJQURWPICFT-IAGOWNOFSA-N 1 0 382.346 2.652 20 0 GFADRO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCN(C(=O)Cc3cc(F)ccc3Br)C2)C1 ZINC000653183268 565957231 /nfs/dbraw/zinc/95/72/31/565957231.db2.gz BROPNHXHCPVPFM-XGWLTEMNSA-N 1 0 399.304 2.876 20 0 GFADRO COCC[N@@H+]1CC[C@H](NC(=O)N[C@@H](C)CCc2ccc(Br)cc2)C1 ZINC000605880282 565958425 /nfs/dbraw/zinc/95/84/25/565958425.db2.gz LKCFPOZOTSAPKA-YOEHRIQHSA-N 1 0 398.345 2.790 20 0 GFADRO [NH3+]C[C@]12CCC[C@H]1CN(C(=O)c1cn(-c3ccc(Br)cc3)cn1)C2 ZINC000653194018 565958538 /nfs/dbraw/zinc/95/85/38/565958538.db2.gz RHNRRNKXWURPDX-UGSOOPFHSA-N 1 0 389.297 2.836 20 0 GFADRO C[NH2+]Cc1ccccc1CNC(=O)[C@@H]1COc2ccc(Br)cc21 ZINC000653214900 565959699 /nfs/dbraw/zinc/95/96/99/565959699.db2.gz GXTXWVGAEMYDPG-MRXNPFEDSA-N 1 0 375.266 2.961 20 0 GFADRO CC[NH+](CC)C[C@H]1CCN(C(=O)c2cc(Br)c3nccn3c2)C1 ZINC000631550734 565962745 /nfs/dbraw/zinc/96/27/45/565962745.db2.gz RNJLNNDOORNOJB-CYBMUJFWSA-N 1 0 379.302 2.901 20 0 GFADRO C[C@@H](Cc1ccc(Br)c(F)c1)[NH2+]CCCN1CCCS1(=O)=O ZINC000631656610 565965805 /nfs/dbraw/zinc/96/58/05/565965805.db2.gz UQDOBCTZMNWPFF-LBPRGKRZSA-N 1 0 393.322 2.534 20 0 GFADRO Cc1ccc(C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)c(Br)c1 ZINC000677248491 565966362 /nfs/dbraw/zinc/96/63/62/565966362.db2.gz XQLMEGLKDZWWIH-AWEZNQCLSA-N 1 0 380.330 2.656 20 0 GFADRO COc1cccc(NC(=O)C[C@H](C)[NH2+]Cc2c(Br)cnn2C)c1 ZINC000631684918 565967716 /nfs/dbraw/zinc/96/77/16/565967716.db2.gz OPZSBFXXORNZBM-NSHDSACASA-N 1 0 381.274 2.698 20 0 GFADRO CC(C)[C@H]([NH2+][C@H](C)c1cccc(S(=O)(=O)N(C)C)c1)[C@H](O)C(F)(F)F ZINC000631715148 565969779 /nfs/dbraw/zinc/96/97/79/565969779.db2.gz OUFIUESOSBPOGL-UGFHNGPFSA-N 1 0 382.448 2.535 20 0 GFADRO O=S(=O)(CCC[NH+]1CCCC1)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000631785860 565974765 /nfs/dbraw/zinc/97/47/65/565974765.db2.gz STDQNDQWXUENNB-RYUDHWBXSA-N 1 0 396.397 2.865 20 0 GFADRO O=S(=O)(N[C@H]1CCN(C2CC2)C1)c1ccc(C(F)(F)C(F)(F)F)cc1 ZINC000631798636 565975566 /nfs/dbraw/zinc/97/55/66/565975566.db2.gz WQUDYBFEMITXOH-NSHDSACASA-N 1 0 384.370 2.856 20 0 GFADRO C[C@H](NC(=O)CN1CCC[C@@H]2C[NH2+]CC[C@H]21)c1ccc(Br)cc1 ZINC000631885926 565981397 /nfs/dbraw/zinc/98/13/97/565981397.db2.gz FEDLCQYCTDUYSC-YSVLISHTSA-N 1 0 380.330 2.700 20 0 GFADRO CCC[N@@H+]1CC[C@H](CNC(=O)Nc2ccc(NS(C)(=O)=O)c(Cl)c2)C1 ZINC000607215898 565981929 /nfs/dbraw/zinc/98/19/29/565981929.db2.gz ZIGOQGQWCXNWKR-GFCCVEGCSA-N 1 0 388.921 2.565 20 0 GFADRO Cc1cc(Cl)c(Br)cc1S(=O)(=O)N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000631905387 565982077 /nfs/dbraw/zinc/98/20/77/565982077.db2.gz LPVWIWAHBUIVPY-SKDRFNHKSA-N 1 0 381.723 2.769 20 0 GFADRO O[C@@H]1C[C@H]2CN(Cc3csc(COc4ccc(Cl)cc4)n3)CC[N@@H+]2C1 ZINC000653825989 565984150 /nfs/dbraw/zinc/98/41/50/565984150.db2.gz PJVCMDBLBMTNNI-JKSUJKDBSA-N 1 0 379.913 2.626 20 0 GFADRO C[C@H]1CC2(CN1S(=O)(=O)c1csnc1-c1ccccc1)CC[NH2+]CC2 ZINC000631946540 565985790 /nfs/dbraw/zinc/98/57/90/565985790.db2.gz CZCXKTWXVRIEES-AWEZNQCLSA-N 1 0 377.535 2.963 20 0 GFADRO C[C@@H](O)C[N@H+](C[C@H](O)COc1ccc(Cl)cc1Br)C1CC1 ZINC000653898962 565987683 /nfs/dbraw/zinc/98/76/83/565987683.db2.gz UQBPWTJPUGHBQA-MFKMUULPSA-N 1 0 378.694 2.687 20 0 GFADRO O=c1[nH]c2ccc(S(=O)(=O)N3CCC[C@@H]([NH+]4CCCC4)CC3)cc2s1 ZINC000631996698 565989797 /nfs/dbraw/zinc/98/97/97/565989797.db2.gz JDXYLDUMFAMJBG-CYBMUJFWSA-N 1 0 381.523 2.641 20 0 GFADRO CC[C@H]1C[N@H+](CC)CCN1C(=O)c1cnc2ncc(Br)cc2c1 ZINC000654008942 565990767 /nfs/dbraw/zinc/99/07/67/565990767.db2.gz FOPPWMZGYUHNEW-HNNXBMFYSA-N 1 0 377.286 2.949 20 0 GFADRO Cc1cc(Br)c(NC(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)cc1Cl ZINC000654038298 565991932 /nfs/dbraw/zinc/99/19/32/565991932.db2.gz DYEKKCMALXGETD-WDEREUQCSA-N 1 0 388.693 2.694 20 0 GFADRO Cc1ccc(Br)cc1C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000607906633 565992570 /nfs/dbraw/zinc/99/25/70/565992570.db2.gz MJPTZGVULUZJCS-OAHLLOKOSA-N 1 0 380.330 2.656 20 0 GFADRO CC(C)C[N@@H+]1CCC[C@H](CNS(=O)(=O)c2ccc3[nH]c(=O)sc3c2)C1 ZINC000632126816 566001430 /nfs/dbraw/zinc/00/14/30/566001430.db2.gz DGTMBKNYNVRSRG-CYBMUJFWSA-N 1 0 383.539 2.648 20 0 GFADRO C[N@@H+]1CCC[C@H](NC(=O)[C@@H](c2ccc(Cl)cc2Cl)N2CCOCC2)C1 ZINC000608127272 566004325 /nfs/dbraw/zinc/00/43/25/566004325.db2.gz WYXLKXKNGJNPML-WMLDXEAASA-N 1 0 386.323 2.577 20 0 GFADRO CO[C@H](C(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1)c1ccccc1Br ZINC000654406723 566008967 /nfs/dbraw/zinc/00/89/67/566008967.db2.gz DYKTUQDQHWNBPR-PBHICJAKSA-N 1 0 399.329 2.610 20 0 GFADRO O=C(Nc1ccc(Br)c(F)c1)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000608328551 566011290 /nfs/dbraw/zinc/01/12/90/566011290.db2.gz BKUMRAWHJXNRDF-CABCVRRESA-N 1 0 386.265 2.651 20 0 GFADRO O=C(CNC(=O)c1ccc(Cl)cc1Cl)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000608383317 566013237 /nfs/dbraw/zinc/01/32/37/566013237.db2.gz WPRCHLJBJGPZJN-ZDUSSCGKSA-N 1 0 384.307 2.668 20 0 GFADRO C[C@H](Cc1ccc(Br)cc1F)[NH2+][C@H]1CCN(C2CCOCC2)C1=O ZINC000678593896 566013477 /nfs/dbraw/zinc/01/34/77/566013477.db2.gz AXYLRSHFDWAJER-PXAZEXFGSA-N 1 0 399.304 2.889 20 0 GFADRO CC[C@@H](Cc1ccccc1Br)[NH2+]C1CCN(S(C)(=O)=O)CC1 ZINC000678598903 566013605 /nfs/dbraw/zinc/01/36/05/566013605.db2.gz VHELHCXENGZUKW-AWEZNQCLSA-N 1 0 389.359 2.784 20 0 GFADRO CO[C@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000678632257 566016101 /nfs/dbraw/zinc/01/61/01/566016101.db2.gz LJRBQAMERJSIIG-WQVCFCJDSA-N 1 0 384.318 2.919 20 0 GFADRO COCCOC[C@@H]1CC[N@H+](C[C@H](O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000608504901 566016081 /nfs/dbraw/zinc/01/60/81/566016081.db2.gz JBBJMPWKJYFIJO-KGLIPLIRSA-N 1 0 378.296 2.718 20 0 GFADRO C[N@@H+]1CCC[C@H](NC(=O)NCCOc2ncc(C(F)(F)F)cc2Cl)C1 ZINC000608648154 566019548 /nfs/dbraw/zinc/01/95/48/566019548.db2.gz OETCGUJJWRNGGY-NSHDSACASA-N 1 0 380.798 2.526 20 0 GFADRO COc1ccc([C@@H](C)[NH2+]CCCN2CCCS2(=O)=O)c(Br)c1 ZINC000678926247 566025491 /nfs/dbraw/zinc/02/54/91/566025491.db2.gz IRBBWKRGEGUWOO-GFCCVEGCSA-N 1 0 391.331 2.534 20 0 GFADRO CCN(C1CC[NH+](C)CC1)S(=O)(=O)Cc1ccccc1Br ZINC000632408672 566029743 /nfs/dbraw/zinc/02/97/43/566029743.db2.gz QGTFLLMJTSMDMO-UHFFFAOYSA-N 1 0 375.332 2.695 20 0 GFADRO O=C(N[C@H]1CC[N@H+](CC2CC2)C1)c1ccc(I)c(F)c1 ZINC000609383266 566037683 /nfs/dbraw/zinc/03/76/83/566037683.db2.gz KVGFUTVNUBKUPK-LBPRGKRZSA-N 1 0 388.224 2.644 20 0 GFADRO CS(=O)(=O)CCC[NH2+][C@H](c1ccc(Br)cc1)[C@@H]1CCCO1 ZINC000679339415 566038462 /nfs/dbraw/zinc/03/84/62/566038462.db2.gz JMMGTUBJPNSPGN-LSDHHAIUSA-N 1 0 376.316 2.694 20 0 GFADRO CSc1cc(Br)ccc1C(=O)N[C@H](CO)C[NH+]1CCCCC1 ZINC000655069913 566038922 /nfs/dbraw/zinc/03/89/22/566038922.db2.gz GHYSWRQJCUNNRT-ZDUSSCGKSA-N 1 0 387.343 2.748 20 0 GFADRO C[NH+](C)CCn1ccc(C(=O)NC2(Cc3ccccc3Br)CC2)n1 ZINC000655106495 566040021 /nfs/dbraw/zinc/04/00/21/566040021.db2.gz AFPOUUWXZLTYPO-UHFFFAOYSA-N 1 0 391.313 2.712 20 0 GFADRO CSc1cc(Br)ccc1C(=O)NC[C@@H]1CCCC[N@@H+]1CCO ZINC000655121900 566041527 /nfs/dbraw/zinc/04/15/27/566041527.db2.gz VOTAFNYWXXIYHX-ZDUSSCGKSA-N 1 0 387.343 2.748 20 0 GFADRO C[NH+](C)CCCS(=O)(=O)N[C@H]1CSCc2ccc(Br)cc21 ZINC000632556587 566045832 /nfs/dbraw/zinc/04/58/32/566045832.db2.gz OJDFQASFARDDNX-AWEZNQCLSA-N 1 0 393.372 2.608 20 0 GFADRO CN(C)c1cc[nH+]cc1C(=O)N1CCOc2cccc(Br)c2C1 ZINC000655319177 566051818 /nfs/dbraw/zinc/05/18/18/566051818.db2.gz BHAHZZAFKJSJPA-UHFFFAOYSA-N 1 0 376.254 2.945 20 0 GFADRO CC1([NH+]2CCCC2)CCN(S(=O)(=O)c2cnccc2C(F)(F)F)CC1 ZINC000632640042 566053161 /nfs/dbraw/zinc/05/31/61/566053161.db2.gz QZOQBXGPJXIJBA-UHFFFAOYSA-N 1 0 377.432 2.739 20 0 GFADRO O=C(NC1(c2cccc(Br)c2)CCOCC1)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000655429901 566056196 /nfs/dbraw/zinc/05/61/96/566056196.db2.gz PZZZNLCPRFDGNB-AEFFLSMTSA-N 1 0 393.325 2.961 20 0 GFADRO O=C(Nc1cc(Br)ccc1N1CCOCC1)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC000655442861 566057507 /nfs/dbraw/zinc/05/75/07/566057507.db2.gz DKQFMVORTGBDLV-RDTXWAMCSA-N 1 0 394.313 2.614 20 0 GFADRO Cc1c(Br)cccc1CS(=O)(=O)NCCC[NH+]1CCCC1 ZINC000655467632 566058321 /nfs/dbraw/zinc/05/83/21/566058321.db2.gz BUJXPSQDZFTWMO-UHFFFAOYSA-N 1 0 375.332 2.663 20 0 GFADRO CSC[C@](C)(O)CNC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000610022323 566061227 /nfs/dbraw/zinc/06/12/27/566061227.db2.gz LNBPQYQITAGAJT-SJLPKXTDSA-N 1 0 385.961 2.890 20 0 GFADRO COCC[C@H](Cc1cccc(Br)c1)C(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000655513018 566063051 /nfs/dbraw/zinc/06/30/51/566063051.db2.gz NVFZDPZVAUWTBT-DGCLKSJQSA-N 1 0 397.235 2.650 20 0 GFADRO Cc1csc(-c2ccc(S(=O)(=O)NC[C@@]3([NH+](C)C)CCSC3)cc2)n1 ZINC000655530415 566064821 /nfs/dbraw/zinc/06/48/21/566064821.db2.gz GQDRQJLHTAKODL-KRWDZBQOSA-N 1 0 397.591 2.834 20 0 GFADRO Cc1c(Br)cccc1CS(=O)(=O)NCC1([NH+](C)C)CCC1 ZINC000655564033 566068613 /nfs/dbraw/zinc/06/86/13/566068613.db2.gz CHFISRLDHKJJPY-UHFFFAOYSA-N 1 0 375.332 2.661 20 0 GFADRO Cc1nc(CNC(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)sc1Br ZINC000632918902 566074325 /nfs/dbraw/zinc/07/43/25/566074325.db2.gz GIYZVPTXQJUFRP-GFCCVEGCSA-N 1 0 387.347 2.888 20 0 GFADRO O=C(Nc1cc(F)c(Br)c(Cl)c1)N1CCC([NH2+]CCO)CC1 ZINC000632946017 566076321 /nfs/dbraw/zinc/07/63/21/566076321.db2.gz KMWZHLZMBLNCBG-UHFFFAOYSA-N 1 0 394.672 2.820 20 0 GFADRO O=S(=O)(N[C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccc(OC(F)F)c(F)c1 ZINC000655668893 566079819 /nfs/dbraw/zinc/07/98/19/566079819.db2.gz UYSVYCBMURUTQY-KBPBESRZSA-N 1 0 378.416 2.722 20 0 GFADRO O=S(=O)(Cc1ccc(Br)cc1)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000655670422 566081316 /nfs/dbraw/zinc/08/13/16/566081316.db2.gz ZTSCUFSEVOEIOM-CVEARBPZSA-N 1 0 387.343 2.885 20 0 GFADRO Fc1cc2ncnc(N3CC[NH+](C[C@@H]4CCCO4)CC3)c2cc1Br ZINC000680827026 566083039 /nfs/dbraw/zinc/08/30/39/566083039.db2.gz AUTKKMQCEZMEIY-LBPRGKRZSA-N 1 0 395.276 2.832 20 0 GFADRO Cc1nn(-c2ccccc2Br)cc1C[NH2+]CC1(O)CCOCC1 ZINC000655731674 566085931 /nfs/dbraw/zinc/08/59/31/566085931.db2.gz ZNYWVCJAMCNOMM-UHFFFAOYSA-N 1 0 380.286 2.574 20 0 GFADRO Cc1nn(-c2ccccc2Br)cc1C[NH2+][C@H](C)[C@@H]1CN(C)CCO1 ZINC000655747789 566085958 /nfs/dbraw/zinc/08/59/58/566085958.db2.gz XISJVMURWDPJFT-KDOFPFPSSA-N 1 0 393.329 2.752 20 0 GFADRO CS(=O)(=O)N1CC[C@H](C[NH2+]Cc2oc3ccccc3c2Br)C1 ZINC000655752343 566087578 /nfs/dbraw/zinc/08/75/78/566087578.db2.gz KRTSMMJXXZUNMB-LLVKDONJSA-N 1 0 387.299 2.566 20 0 GFADRO Cc1nn(-c2ccccc2Br)cc1C[NH2+]CC(C)(C)OCCO ZINC000655775283 566088264 /nfs/dbraw/zinc/08/82/64/566088264.db2.gz VJCBVCNVVUJJDV-UHFFFAOYSA-N 1 0 382.302 2.820 20 0 GFADRO CCC[C@H](O)[C@@H](CO)[NH2+]Cc1cn(-c2ccccc2Br)nc1C ZINC000655780538 566088899 /nfs/dbraw/zinc/08/88/99/566088899.db2.gz SQAFBULAWUHASV-WBVHZDCISA-N 1 0 382.302 2.555 20 0 GFADRO CCC1([NH+](C)C)CCN(C(=O)N[C@@H](C)c2ncc(Br)cn2)CC1 ZINC000633261820 566091497 /nfs/dbraw/zinc/09/14/97/566091497.db2.gz CNZJZWVWNUINED-LBPRGKRZSA-N 1 0 384.322 2.816 20 0 GFADRO Cn1nnc2c1CC[C@@H]([NH2+]Cc1ccc(OC(F)F)c(Br)c1)C2 ZINC000655841383 566091895 /nfs/dbraw/zinc/09/18/95/566091895.db2.gz BWLZJLSTUAQTRT-SNVBAGLBSA-N 1 0 387.228 2.826 20 0 GFADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)CCCc1cccc(Br)c1 ZINC000681152238 566094929 /nfs/dbraw/zinc/09/49/29/566094929.db2.gz PRRXOCWIIBBBLC-INIZCTEOSA-N 1 0 396.373 2.914 20 0 GFADRO O=C(N[C@H]1CCC[N@@H+]2CCCC[C@H]12)c1nc(C2CC2)ncc1Br ZINC000655913921 566095187 /nfs/dbraw/zinc/09/51/87/566095187.db2.gz CUFJUMYDTUPELH-UONOGXRCSA-N 1 0 379.302 2.863 20 0 GFADRO [NH3+]C[C@H](NC(=O)N1CCC(c2nc(C(F)(F)F)cs2)CC1)C(F)(F)F ZINC000655925539 566096708 /nfs/dbraw/zinc/09/67/08/566096708.db2.gz CVDMHWKMYLJCFB-QMMMGPOBSA-N 1 0 390.353 2.941 20 0 GFADRO CCOc1cc(Br)c(F)cc1NC(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000655928119 566097050 /nfs/dbraw/zinc/09/70/50/566097050.db2.gz QUHKVWFYFBLINS-SNVBAGLBSA-N 1 0 388.159 2.998 20 0 GFADRO CN(CCCC[NH+](C)C)C(=O)c1c(F)cccc1I ZINC000610759453 566097396 /nfs/dbraw/zinc/09/73/96/566097396.db2.gz UQFQJTOMKJSNPI-UHFFFAOYSA-N 1 0 378.229 2.844 20 0 GFADRO Cc1c(Br)cccc1CS(=O)(=O)N(C)CC[C@H]([NH3+])C(C)C ZINC000655949908 566097883 /nfs/dbraw/zinc/09/78/83/566097883.db2.gz GDDBAGALCNYCOH-HNNXBMFYSA-N 1 0 377.348 2.893 20 0 GFADRO Cc1c(Br)cccc1CS(=O)(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000655953181 566098677 /nfs/dbraw/zinc/09/86/77/566098677.db2.gz WBOVLYOHHXVDNY-UHFFFAOYSA-N 1 0 395.322 2.980 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)NCCCc2c(Cl)cccc2Cl)C1 ZINC000656029605 566100984 /nfs/dbraw/zinc/10/09/84/566100984.db2.gz ARRFJJGOQBWPET-OLZOCXBDSA-N 1 0 386.323 2.628 20 0 GFADRO CC[C@@H]1CN(C(=O)C(=O)NCCCc2c(Cl)cccc2Cl)CC[C@@H]1[NH3+] ZINC000656030009 566101346 /nfs/dbraw/zinc/10/13/46/566101346.db2.gz NMZOUFKEPWMJBA-WBMJQRKESA-N 1 0 386.323 2.628 20 0 GFADRO C[NH2+]C[C@H]1CCCN(C(=O)C(=O)NCCCc2c(Cl)cccc2Cl)C1 ZINC000656030471 566102593 /nfs/dbraw/zinc/10/25/93/566102593.db2.gz TWVSZRRLYZQXEN-CYBMUJFWSA-N 1 0 386.323 2.500 20 0 GFADRO O=S1(=O)CC[C@H]([NH2+][C@H]2CC[C@@H](CO)CC2)c2cc(Br)ccc21 ZINC000681391284 566104360 /nfs/dbraw/zinc/10/43/60/566104360.db2.gz AEGSPCHVRJHVEJ-LNSITVRQSA-N 1 0 388.327 2.808 20 0 GFADRO C[NH+](C)CCCNC(=O)N1CCO[C@@H](c2ccc(F)c(Br)c2)C1 ZINC000681505686 566109685 /nfs/dbraw/zinc/10/96/85/566109685.db2.gz AARIVTMFZWJKFT-OAHLLOKOSA-N 1 0 388.281 2.623 20 0 GFADRO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)c1cccc(F)c1I ZINC000611002642 566110179 /nfs/dbraw/zinc/11/01/79/566110179.db2.gz PPQJLMGFLGBGGO-LLVKDONJSA-N 1 0 388.224 2.644 20 0 GFADRO Cc1nc(-c2ccc(C(=O)N3CCC([N@@H+]4CC[C@@H](O)C4)CC3)s2)cs1 ZINC000633651261 566112421 /nfs/dbraw/zinc/11/24/21/566112421.db2.gz YMTDQAUTMYUBNP-CQSZACIVSA-N 1 0 377.535 2.851 20 0 GFADRO CCOCCOc1ccc(Br)cc1CN[C@H](C[NH3+])C(F)(F)F ZINC000656195890 566113534 /nfs/dbraw/zinc/11/35/34/566113534.db2.gz HSFFYXBQYKWYOB-CYBMUJFWSA-N 1 0 385.224 2.844 20 0 GFADRO CNC(=O)C1CC[NH+](Cc2cn(-c3ccccc3Br)nc2C)CC1 ZINC000656248467 566116264 /nfs/dbraw/zinc/11/62/64/566116264.db2.gz SKAGRZBAZLZUPX-UHFFFAOYSA-N 1 0 391.313 2.901 20 0 GFADRO Cc1cc(NC(=O)CNC2CC[NH+]([C@@H]3CCOC3)CC2)ccc1Br ZINC000656264746 566120549 /nfs/dbraw/zinc/12/05/49/566120549.db2.gz QSNMLTJYBXYQLK-MRXNPFEDSA-N 1 0 396.329 2.539 20 0 GFADRO O[C@@H]1C[C@H]2CN(Cc3cc(Br)cc(C(F)(F)F)c3)CC[N@@H+]2C1 ZINC000656273594 566122535 /nfs/dbraw/zinc/12/25/35/566122535.db2.gz KIBNKAKDZCWSFS-UONOGXRCSA-N 1 0 379.220 2.719 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)c1ccn(-c2cccc(Br)c2)n1 ZINC000681789807 566126217 /nfs/dbraw/zinc/12/62/17/566126217.db2.gz VIEYBQPEFHRZPX-GDBMZVCRSA-N 1 0 377.286 2.847 20 0 GFADRO C[C@H]1C[C@H](n2cc(C[NH2+]C3CCCCC3)nn2)c2ccsc2S1(=O)=O ZINC000656463517 566127792 /nfs/dbraw/zinc/12/77/92/566127792.db2.gz MVXIDZZQVSCPGO-LRDDRELGSA-N 1 0 380.539 2.917 20 0 GFADRO Cc1[nH]c(=O)c(C(=O)N2CCC(C)([NH+]3CCCC3)CC2)cc1Br ZINC000633960805 566132291 /nfs/dbraw/zinc/13/22/91/566132291.db2.gz AIUIMSPZZYRVIF-UHFFFAOYSA-N 1 0 382.302 2.949 20 0 GFADRO C[C@H](NC(=O)c1cnc2ncc(Br)cc2c1)C1CC[NH+](C)CC1 ZINC000681994514 566137577 /nfs/dbraw/zinc/13/75/77/566137577.db2.gz IIYZTUPSIIWFJQ-NSHDSACASA-N 1 0 377.286 2.852 20 0 GFADRO Cc1ccc(CC(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)cc1Br ZINC000682160870 566145978 /nfs/dbraw/zinc/14/59/78/566145978.db2.gz XMUMLPDAUXKBIN-KRWDZBQOSA-N 1 0 394.357 2.538 20 0 GFADRO O=C(c1c(Cl)cccc1Br)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000612014882 566148667 /nfs/dbraw/zinc/14/86/67/566148667.db2.gz QNAIZOYYBDMFIU-GFCCVEGCSA-N 1 0 387.705 2.897 20 0 GFADRO C[NH+]1CCN(c2ccnc(NC(=O)c3ccccc3Br)c2)CC1 ZINC000634198686 566148960 /nfs/dbraw/zinc/14/89/60/566148960.db2.gz QXVWQBPSEBBLHJ-UHFFFAOYSA-N 1 0 375.270 2.848 20 0 GFADRO C[NH+]1CCN(c2ccnc(NC(=O)c3ccc(F)cc3Br)c2)CC1 ZINC000634197505 566149242 /nfs/dbraw/zinc/14/92/42/566149242.db2.gz IZPOHYZZNXOAKG-UHFFFAOYSA-N 1 0 393.260 2.987 20 0 GFADRO C[C@@H]1CCC[C@@H](C[NH2+]C[C@@H](O)COc2cc(F)cc(Br)c2)O1 ZINC000656709659 566156038 /nfs/dbraw/zinc/15/60/38/566156038.db2.gz CSWHZVUJZGTGJR-DFBGVHRSSA-N 1 0 376.266 2.875 20 0 GFADRO CS(=O)(=O)CC1(CC[NH2+]C[C@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000656703818 566156080 /nfs/dbraw/zinc/15/60/80/566156080.db2.gz DJUVFZPRKGWSIR-ZDUSSCGKSA-N 1 0 396.336 2.538 20 0 GFADRO C[C@@H]1CCC[C@H](C[NH2+]CCS(=O)(=O)c2cccc(Br)c2)O1 ZINC000656710919 566156123 /nfs/dbraw/zinc/15/61/23/566156123.db2.gz NYWWCOMRRFVVPI-TZMCWYRMSA-N 1 0 376.316 2.770 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)NCC(C)(C)N1CC[NH+](C)CC1 ZINC000612332169 566157595 /nfs/dbraw/zinc/15/75/95/566157595.db2.gz LGJMKAOHAZSWJE-UHFFFAOYSA-N 1 0 383.334 2.905 20 0 GFADRO CC(C)(O)C[NH+]1CCN(C(=O)Cc2ccc(Br)c(Cl)c2)CC1 ZINC000682495027 566158271 /nfs/dbraw/zinc/15/82/71/566158271.db2.gz NIGMJYPINRQXKA-UHFFFAOYSA-N 1 0 389.721 2.560 20 0 GFADRO Cc1cccc(CNC(=O)Nc2cnn(CC[NH+](C)C)c2)c1Br ZINC000682555592 566162722 /nfs/dbraw/zinc/16/27/22/566162722.db2.gz HIQNTFWVTQYQAC-UHFFFAOYSA-N 1 0 380.290 2.837 20 0 GFADRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3nn(C(C)(C)C)cc3Br)CC[C@H]21 ZINC000612517272 566166008 /nfs/dbraw/zinc/16/60/08/566166008.db2.gz KABBXEAHYJPMJR-GXTWGEPZSA-N 1 0 383.334 2.957 20 0 GFADRO C[C@H]([NH2+]CCn1ccc(C(F)(F)F)n1)c1ccc(NS(C)(=O)=O)cc1 ZINC000634687578 566170174 /nfs/dbraw/zinc/17/01/74/566170174.db2.gz QIKGNELTFIRTEW-NSHDSACASA-N 1 0 376.404 2.624 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CC[NH2+]C[C@H](O)C[C@](C)(O)C1CC1 ZINC000634700813 566171086 /nfs/dbraw/zinc/17/10/86/566171086.db2.gz FWSODWXACLZNAH-QAPCUYQASA-N 1 0 399.329 2.588 20 0 GFADRO CC[C@H](Cc1ccccc1Br)[NH2+]C[C@@H](O)CC1(O)CCOCC1 ZINC000634707143 566171284 /nfs/dbraw/zinc/17/12/84/566171284.db2.gz ALVGCHGWZLGQCO-CVEARBPZSA-N 1 0 386.330 2.652 20 0 GFADRO Cn1ncc(Br)c1C[NH2+]C[C@H](O)COCc1ccc(Cl)cc1 ZINC000634726740 566173296 /nfs/dbraw/zinc/17/32/96/566173296.db2.gz ZPBHCEFZGDOOIB-ZDUSSCGKSA-N 1 0 388.693 2.503 20 0 GFADRO CSc1ccc(OC[C@@H](O)C[NH2+]CCn2ccc(C(F)(F)F)n2)cc1 ZINC000634731127 566173551 /nfs/dbraw/zinc/17/35/51/566173551.db2.gz GUIWFTIUECSQLP-LBPRGKRZSA-N 1 0 375.416 2.653 20 0 GFADRO CC1(C)C[NH2+]CC[C@H](NC(=O)c2cc(=O)c3cc(Br)ccc3[nH]2)C1 ZINC000634759272 566174920 /nfs/dbraw/zinc/17/49/20/566174920.db2.gz GBCUYZIUQHVGKI-LBPRGKRZSA-N 1 0 392.297 2.799 20 0 GFADRO C[C@@]1(NC(=O)N[C@H]2CCCN(c3ccc(Cl)cc3Cl)C2=O)CC[NH2+]C1 ZINC000612905636 566179417 /nfs/dbraw/zinc/17/94/17/566179417.db2.gz WQGITLJJDLOXRT-SUMWQHHRSA-N 1 0 385.295 2.540 20 0 GFADRO C[C@@H](CNC(=O)N[C@H]1CC12CC[NH2+]CC2)Oc1ccccc1Br ZINC000612977719 566180156 /nfs/dbraw/zinc/18/01/56/566180156.db2.gz RJWQVIDTFGQWMK-WFASDCNBSA-N 1 0 382.302 2.658 20 0 GFADRO COc1ccc([C@@H](C)NC(=O)N[C@@H]2CC23CC[NH2+]CC3)cc1Br ZINC000612964778 566180160 /nfs/dbraw/zinc/18/01/60/566180160.db2.gz TWTRYGFPZASCBN-IAQYHMDHSA-N 1 0 382.302 2.960 20 0 GFADRO CC[NH+](CC)[C@H]1CCN(S(=O)(=O)Cc2cc(F)ccc2Br)C1 ZINC000656923365 566184392 /nfs/dbraw/zinc/18/43/92/566184392.db2.gz RWEYOSYKELWJOG-AWEZNQCLSA-N 1 0 393.322 2.834 20 0 GFADRO O=S1(=O)CCC[C@H]([NH2+][C@@H]2CCN(c3cccc(Br)c3)C2)CC1 ZINC000634978687 566187328 /nfs/dbraw/zinc/18/73/28/566187328.db2.gz JMBUNFLIPDOBBR-LSDHHAIUSA-N 1 0 387.343 2.585 20 0 GFADRO O=S1(=O)CCC[C@@H]([NH2+][C@@H]2COc3cc(F)c(Br)cc32)CC1 ZINC000634979515 566187332 /nfs/dbraw/zinc/18/73/32/566187332.db2.gz GVKCRVGXDQDGNI-NOZJJQNGSA-N 1 0 378.263 2.579 20 0 GFADRO CCC(=O)N1CCC([NH2+]C[C@@H](CO)Cc2ccccc2Br)CC1 ZINC000683206093 566189027 /nfs/dbraw/zinc/18/90/27/566189027.db2.gz MEXIKVYWEFZNLX-AWEZNQCLSA-N 1 0 383.330 2.591 20 0 GFADRO C[C@H](CC(F)(F)F)CS(=O)(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000656951041 566192168 /nfs/dbraw/zinc/19/21/68/566192168.db2.gz PFHKCMKYCKASAM-CYBMUJFWSA-N 1 0 379.448 2.806 20 0 GFADRO CCN(CC)S(=O)(=O)c1cc(NC(=O)C[C@@H]2CC[N@H+](C)C2)ccc1Cl ZINC000635124207 566195496 /nfs/dbraw/zinc/19/54/96/566195496.db2.gz PTDNMVIMBOCLMI-ZDUSSCGKSA-N 1 0 387.933 2.651 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@H](CNS(=O)(=O)c2ccc(Br)cc2F)C1 ZINC000657032820 566209244 /nfs/dbraw/zinc/20/92/44/566209244.db2.gz GICBESHTKVNIEI-LLVKDONJSA-N 1 0 393.322 2.987 20 0 GFADRO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NCc1c(Br)cnn1C ZINC000683771270 566213380 /nfs/dbraw/zinc/21/33/80/566213380.db2.gz DMHFCQIRFUYCRX-BBRMVZONSA-N 1 0 378.318 2.578 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@@H](NS(=O)(=O)Cc2ccc(Br)cc2)C1 ZINC000657061355 566216131 /nfs/dbraw/zinc/21/61/31/566216131.db2.gz MYGZDTFTCORISS-CQSZACIVSA-N 1 0 375.332 2.741 20 0 GFADRO Cc1ccc(F)c(C(=O)NCCCN2CCC[N@@H+](C)CC2)c1Br ZINC000683850820 566216419 /nfs/dbraw/zinc/21/64/19/566216419.db2.gz LJMVADZHNNYHIM-UHFFFAOYSA-N 1 0 386.309 2.654 20 0 GFADRO COCCOCC[N@H+](C)CCC(=O)N[C@@H]1CCc2c1cccc2Br ZINC000635492328 566216810 /nfs/dbraw/zinc/21/68/10/566216810.db2.gz XYDJUCBRXQZYJS-QGZVFWFLSA-N 1 0 399.329 2.538 20 0 GFADRO C[C@@H](CN(C)CCC[NH+](C)C)NS(=O)(=O)c1cc(Cl)sc1Cl ZINC000657072385 566217470 /nfs/dbraw/zinc/21/74/70/566217470.db2.gz WSFVXUBELPNLIJ-JTQLQIEISA-N 1 0 388.386 2.605 20 0 GFADRO C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)N1CCC[C@](O)(C[NH+](C)C)C1 ZINC000683913935 566218742 /nfs/dbraw/zinc/21/87/42/566218742.db2.gz PARZHZPJDZENSL-SJCJKPOMSA-N 1 0 375.296 2.676 20 0 GFADRO C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC000635611871 566220711 /nfs/dbraw/zinc/22/07/11/566220711.db2.gz BXOLKZPPOMEOTB-HZPDHXFCSA-N 1 0 394.357 2.996 20 0 GFADRO C[C@@H](CCNS(=O)(=O)Cc1ccc(Cl)cc1Br)[NH+](C)C ZINC000657089770 566221455 /nfs/dbraw/zinc/22/14/55/566221455.db2.gz BTEBRFHYHNGVOC-JTQLQIEISA-N 1 0 383.739 2.862 20 0 GFADRO CC[C@H](C[NH+]1CCCC1)NS(=O)(=O)c1cc(OC)c(OC)cc1Cl ZINC000684105193 566227402 /nfs/dbraw/zinc/22/74/02/566227402.db2.gz ZKHRUAMSPATHJB-GFCCVEGCSA-N 1 0 376.906 2.510 20 0 GFADRO Brc1ccc(CN2CC[NH+](C[C@H]3CNc4ccnn4C3)CC2)cc1 ZINC000684197495 566230478 /nfs/dbraw/zinc/23/04/78/566230478.db2.gz WQVNJYMYCWWBAF-MRXNPFEDSA-N 1 0 390.329 2.505 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)N2CCOc3c(Br)cccc3C2)CC[N@@H+]1C ZINC000684269173 566232045 /nfs/dbraw/zinc/23/20/45/566232045.db2.gz ZJWUANAJKWUIQE-OCCSQVGLSA-N 1 0 382.302 2.836 20 0 GFADRO CCn1ccnc1CN(C(=O)c1cccc2[nH]ncc21)[C@@H]1CC12CC[NH2+]CC2 ZINC000261913491 570573439 /nfs/dbraw/zinc/57/34/39/570573439.db2.gz XXNHNVWIGRQLJN-GOSISDBHSA-N 1 0 378.480 2.564 20 0 GFADRO CCn1ccnc1CN(C(=O)c1n[nH]c2ccccc21)[C@H]1CC12CC[NH2+]CC2 ZINC000262094919 570615952 /nfs/dbraw/zinc/61/59/52/570615952.db2.gz HRXXTICNHSDPRP-KRWDZBQOSA-N 1 0 378.480 2.564 20 0 GFADRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(c2nc3c(cc2-c2nn[nH]n2)CCC3)C1 ZINC000736267270 598869639 /nfs/dbraw/zinc/86/96/39/598869639.db2.gz MOKKPCOXOHBJFV-JKSUJKDBSA-N 1 0 381.528 2.841 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(CCOc2ccccc2-c2nn[nH]n2)C1 ZINC000736265453 598870273 /nfs/dbraw/zinc/87/02/73/598870273.db2.gz AZNSURGMIVRIMY-QZTJIDSGSA-N 1 0 384.528 2.832 20 0 GFADRO CNC(=O)c1cccc(C[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC(C)C)c1 ZINC000736882531 598871864 /nfs/dbraw/zinc/87/18/64/598871864.db2.gz QKQSIAIZWMAUJR-UHFFFAOYSA-N 1 0 378.480 2.885 20 0 GFADRO OCC[N@H+](CCCOc1ccc(-c2nn[nH]n2)cc1)[C@@H]1CCc2ccccc21 ZINC000738394972 598917983 /nfs/dbraw/zinc/91/79/83/598917983.db2.gz ZWJXERWCDHWVLJ-HXUWFJFHSA-N 1 0 379.464 2.617 20 0 GFADRO c1coc([C@H](CNc2c3ccccc3nnc2-c2nn[nH]n2)[NH+]2CCCC2)c1 ZINC000738447005 598935614 /nfs/dbraw/zinc/93/56/14/598935614.db2.gz ADBRJHQEJQPAHS-HNNXBMFYSA-N 1 0 376.424 2.652 20 0 GFADRO C[NH+](C)Cc1cc(CNC(=S)Nc2ccccc2-c2nn[nH]n2)ccc1F ZINC000736771418 598977861 /nfs/dbraw/zinc/97/78/61/598977861.db2.gz KSFNVUWRPBKVSF-UHFFFAOYSA-N 1 0 385.472 2.554 20 0 GFADRO Cc1ccc(C[N@H+](CC(=O)NCc2cccc(-c3nn[nH]n3)c2)C2CC2)cc1C ZINC000737342752 598992351 /nfs/dbraw/zinc/99/23/51/598992351.db2.gz UGYQOCWIKSDWAT-UHFFFAOYSA-N 1 0 390.491 2.764 20 0 GFADRO FC(F)(F)c1ccc(-c2nn[nH]n2)c(NCC[N@@H+]2CCc3sccc3C2)n1 ZINC000737635500 599048006 /nfs/dbraw/zinc/04/80/06/599048006.db2.gz IEHVCJOWMMNQHI-UHFFFAOYSA-N 1 0 395.414 2.812 20 0 GFADRO C[N@H+](CC12CC3CC(CC(C3)C1)C2)[C@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000736795685 599066922 /nfs/dbraw/zinc/06/69/22/599066922.db2.gz XJLDVSYRPABWQG-TYUXRXASSA-N 1 0 380.496 2.541 20 0 GFADRO NC(=O)[C@@H](c1ccc(-c2nn[nH]n2)cc1)[NH+]1CCC(CCc2ccccc2)CC1 ZINC000737745394 599068712 /nfs/dbraw/zinc/06/87/12/599068712.db2.gz YBEXEXUFWSQWNY-HXUWFJFHSA-N 1 0 390.491 2.738 20 0 GFADRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(c2c3ccccc3nnc2-c2nn[nH]n2)C1 ZINC000821614595 599081120 /nfs/dbraw/zinc/08/11/20/599081120.db2.gz MMBCTSDOLNVKBS-MRXNPFEDSA-N 1 0 386.463 2.521 20 0 GFADRO C[C@H](C(=O)Nc1cccc(-c2nn[nH]n2)c1)[N@@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC000735560392 599137206 /nfs/dbraw/zinc/13/72/06/599137206.db2.gz RNXJHZARHTYCHT-WBVHZDCISA-N 1 0 376.464 2.758 20 0 GFADRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736205782 599162525 /nfs/dbraw/zinc/16/25/25/599162525.db2.gz ZCVZQDDJAVWREZ-HNNXBMFYSA-N 1 0 376.464 2.822 20 0 GFADRO CC[NH+](CC)Cc1ccc(C(=O)NCCOc2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000736531412 599220924 /nfs/dbraw/zinc/22/09/24/599220924.db2.gz VVVJLHWQXKDOND-UHFFFAOYSA-N 1 0 394.479 2.517 20 0 GFADRO C[N@H+](CCC(=O)Nc1sccc1-c1nn[nH]n1)Cc1nc2ccccc2o1 ZINC000821597783 607264881 /nfs/dbraw/zinc/26/48/81/607264881.db2.gz HCYSYRXOFDXSMW-UHFFFAOYSA-N 1 0 383.437 2.530 20 0 GFADRO CC(C)[C@@H]1CCCC[N@@H+]1CC(=O)Nc1c(-c2nn[nH]n2)cnn1-c1ccccc1 ZINC000735749520 599234542 /nfs/dbraw/zinc/23/45/42/599234542.db2.gz NCYBDHZGCHGWJU-KRWDZBQOSA-N 1 0 394.483 2.501 20 0 GFADRO Cc1oc(-n2cccc2)c(-c2nn[nH]n2)c1C(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000737548222 599251929 /nfs/dbraw/zinc/25/19/29/599251929.db2.gz OPMDLGGHNZEDPU-HNNXBMFYSA-N 1 0 397.483 2.505 20 0 GFADRO C[NH+](C)CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)/C=C\C1CCCCC1 ZINC000736766570 599259677 /nfs/dbraw/zinc/25/96/77/599259677.db2.gz CEHORMFRMYKMGT-QXMHVHEDSA-N 1 0 382.512 2.893 20 0 GFADRO CCc1ccc([C@@H]2CCC[N@@H+]2C[C@H](O)COc2ccc(-c3nn[nH]n3)cc2)o1 ZINC000736689414 599272232 /nfs/dbraw/zinc/27/22/32/599272232.db2.gz WOIFPOFGBYQRAZ-YJBOKZPZSA-N 1 0 383.452 2.599 20 0 GFADRO C[NH+](C)CCCCC(=O)Nc1ncc(Cc2ccc(-c3nn[nH]n3)cc2)s1 ZINC000736759118 598257712 /nfs/dbraw/zinc/25/77/12/598257712.db2.gz NERDVGIDGLWWRA-UHFFFAOYSA-N 1 0 385.497 2.584 20 0 GFADRO C[C@@H](CNC(=O)Nc1cc(-c2nn[nH]n2)cn1C(C)(C)C)[N@@H+]1CCCC[C@@H]1C ZINC000736269919 598277953 /nfs/dbraw/zinc/27/79/53/598277953.db2.gz ZESCDUWNWZFOTA-KBPBESRZSA-N 1 0 388.520 2.808 20 0 GFADRO C[NH+](C)CCC1CCN(C(=S)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)CC1 ZINC000736758095 598322528 /nfs/dbraw/zinc/32/25/28/598322528.db2.gz CXQHMZNZHVSCEQ-UHFFFAOYSA-N 1 0 393.948 2.881 20 0 GFADRO CC[N@H+](CCC(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2)Cc1ccoc1 ZINC000736535025 598354539 /nfs/dbraw/zinc/35/45/39/598354539.db2.gz PPNOCJANBPUMQN-UHFFFAOYSA-N 1 0 386.481 2.861 20 0 GFADRO Cc1csc(N2CC[N@@H+](CCCOc3ccc(-c4nn[nH]n4)cc3)C[C@H]2C)n1 ZINC000737453286 598365078 /nfs/dbraw/zinc/36/50/78/598365078.db2.gz UIGIDTLVAMPETP-OAHLLOKOSA-N 1 0 399.524 2.611 20 0 GFADRO O[C@H](c1ccccc1)[C@@H]1CCCC[N@@H+]1CCOc1cccc(-c2nn[nH]n2)c1 ZINC000738383254 598396673 /nfs/dbraw/zinc/39/66/73/598396673.db2.gz ABELIIDAVXGARV-VQTJNVASSA-N 1 0 379.464 2.834 20 0 GFADRO c1csc(C[N@H+](CCOc2ccc(-c3nn[nH]n3)cc2)C[C@H]2CCCO2)c1 ZINC000738453018 598407088 /nfs/dbraw/zinc/40/70/88/598407088.db2.gz SRJDTMNWZZANNC-QGZVFWFLSA-N 1 0 385.493 2.988 20 0 GFADRO Clc1cccc(N2CC[NH+](CCCNc3ccc(-c4nn[nH]n4)cn3)CC2)c1 ZINC000737574494 598425968 /nfs/dbraw/zinc/42/59/68/598425968.db2.gz KWECRMQDXRLYHE-UHFFFAOYSA-N 1 0 398.902 2.539 20 0 GFADRO CCN(C(=O)c1ccc(-c2nn[nH]n2)cn1)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000736505486 598460392 /nfs/dbraw/zinc/46/03/92/598460392.db2.gz KBSCUZXPVMYDBH-CRAIPNDOSA-N 1 0 391.479 2.559 20 0 GFADRO c1cc(OCC[N@@H+]2CCC[C@H]2c2cccc3c2OCCO3)cc(-c2nn[nH]n2)c1 ZINC000738417748 598463315 /nfs/dbraw/zinc/46/33/15/598463315.db2.gz AFRBDHRJNHKSGI-SFHVURJKSA-N 1 0 393.447 2.854 20 0 GFADRO COc1ccccc1/C=C/C[NH2+]C1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1 ZINC000737149161 598466479 /nfs/dbraw/zinc/46/64/79/598466479.db2.gz WZIDYEJAPJGOPI-GQCTYLIASA-N 1 0 391.479 2.542 20 0 GFADRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000736557841 598470032 /nfs/dbraw/zinc/47/00/32/598470032.db2.gz BSNYWDKIZRMNNU-UHFFFAOYSA-N 1 0 393.495 2.660 20 0 GFADRO CC(C)C[C@@H](C[NH+](C)C)NC(=O)N(Cc1ccc(-c2nn[nH]n2)cc1)C1CC1 ZINC000735761990 598477839 /nfs/dbraw/zinc/47/78/39/598477839.db2.gz SKGICUMXLKFFST-KRWDZBQOSA-N 1 0 385.516 2.517 20 0 GFADRO C[C@H]([NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1ccc(Cl)c(Cl)c1 ZINC000736134161 598516903 /nfs/dbraw/zinc/51/69/03/598516903.db2.gz JTPYXUULWXOCCY-VHSXEESVSA-N 1 0 393.282 2.763 20 0 GFADRO CC[N@H+](CC(=O)Nc1ccc(-c2nn[nH]n2)cc1)[C@H](C)Cc1ccc(OC)cc1 ZINC000736510644 598557550 /nfs/dbraw/zinc/55/75/50/598557550.db2.gz DPQJEIHTTZCADB-OAHLLOKOSA-N 1 0 394.479 2.767 20 0 GFADRO C[NH+](C)[C@H]1CCN(C(=O)Nc2ccc(Oc3cccc(-c4nn[nH]n4)c3)cc2)C1 ZINC000736756075 598565282 /nfs/dbraw/zinc/56/52/82/598565282.db2.gz IFXBGATXOQPWPY-INIZCTEOSA-N 1 0 393.451 2.827 20 0 GFADRO Cc1cnn(CC[NH2+]Cc2cccc(OCc3cccc(-c4nn[nH]n4)c3)c2)c1 ZINC000737449382 598568565 /nfs/dbraw/zinc/56/85/65/598568565.db2.gz XABSQHQMCGJLSE-UHFFFAOYSA-N 1 0 389.463 2.740 20 0 GFADRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+]2CCCC2(C)C)c1-c1nn[nH]n1 ZINC000737201288 598614327 /nfs/dbraw/zinc/61/43/27/598614327.db2.gz BXQYNPXKHGBNPD-UHFFFAOYSA-N 1 0 397.483 2.739 20 0 GFADRO C[C@@H](CNC(=O)c1cccc(Oc2ccc(-c3nn[nH]n3)cc2)c1)[N@H+](C)C1CC1 ZINC000736025706 598668044 /nfs/dbraw/zinc/66/80/44/598668044.db2.gz JELFHQATYMLBQF-AWEZNQCLSA-N 1 0 392.463 2.872 20 0 GFADRO C[NH+](C)[C@@H]1CCCN(c2c(-c3nn[nH]n3)cnc3ccc(OC(F)F)cc32)C1 ZINC000736757900 598670728 /nfs/dbraw/zinc/67/07/28/598670728.db2.gz ZDUUOHMLHBJOIL-LLVKDONJSA-N 1 0 389.410 2.547 20 0 GFADRO CN(C(=O)c1ccccc1-c1ccccc1-c1nn[nH]n1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000736742120 598697105 /nfs/dbraw/zinc/69/71/05/598697105.db2.gz XULREYRZIAXOMZ-INIZCTEOSA-N 1 0 388.475 2.842 20 0 GFADRO CC[N@H+](CC(=O)NCc1cccc(C)c1)[C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000736511540 598699880 /nfs/dbraw/zinc/69/98/80/598699880.db2.gz SFONFGRVZGVXNO-INIZCTEOSA-N 1 0 378.480 2.874 20 0 GFADRO c1cc(C[NH+]2CCC(Oc3ccc(-c4nn[nH]n4)cc3)CC2)cc2c1OCC2 ZINC000738420240 598702383 /nfs/dbraw/zinc/70/23/83/598702383.db2.gz AANWEECRLLCCEF-UHFFFAOYSA-N 1 0 377.448 2.845 20 0 GFADRO CC[NH+](CC)C[C@@H](C)Nc1c(-c2nn[nH]n2)cnc2c(F)ccc(Cl)c21 ZINC000736534447 598746072 /nfs/dbraw/zinc/74/60/72/598746072.db2.gz OIKVZPIBMGRWPI-SNVBAGLBSA-N 1 0 377.855 2.772 20 0 GFADRO CCS[C@H]1CCCC[N@@H+]([C@@H]2CCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)C1 ZINC000736666372 598749050 /nfs/dbraw/zinc/74/90/50/598749050.db2.gz RRJFVYBLMNBJCM-DLBZAZTESA-N 1 0 386.525 2.580 20 0 GFADRO CN(CC1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)C(=O)OC(C)(C)C ZINC000736792613 598768104 /nfs/dbraw/zinc/76/81/04/598768104.db2.gz SQYYWZGBGITKRL-UHFFFAOYSA-N 1 0 386.500 2.946 20 0 GFADRO Cc1cccnc1[C@@H]([NH2+]CCC(=O)Nc1ccc(-c2nn[nH]n2)cc1)C(C)C ZINC000737435426 599355563 /nfs/dbraw/zinc/35/55/63/599355563.db2.gz NPOYEGGLVXEAHH-SFHVURJKSA-N 1 0 379.468 2.886 20 0 GFADRO C[C@@H]([NH2+]Cc1ccccc1CN1CCCC1=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000820438479 599365056 /nfs/dbraw/zinc/36/50/56/599365056.db2.gz QIKKXNABUCQJAW-OAHLLOKOSA-N 1 0 376.464 2.840 20 0 GFADRO O=C(OCc1ccccc1-c1nn[nH]n1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000738234755 599367065 /nfs/dbraw/zinc/36/70/65/599367065.db2.gz LWZAWAHXOXXRNG-QGZVFWFLSA-N 1 0 377.448 2.822 20 0 GFADRO C[C@H]([NH2+]Cc1ccc(Cn2ccccc2=O)cc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000820431583 599371938 /nfs/dbraw/zinc/37/19/38/599371938.db2.gz GTXRCIOLJUYCIB-INIZCTEOSA-N 1 0 386.459 2.928 20 0 GFADRO C[C@@H](CNC(=O)[C@H](C)[NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1)c1ccccc1 ZINC000820411853 599386011 /nfs/dbraw/zinc/38/60/11/599386011.db2.gz JYMXKLHOJIGIEM-JYJNAYRXSA-N 1 0 378.480 2.826 20 0 GFADRO COc1ccc(C)cc1NC(=O)[C@@H](C)[NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1 ZINC000821782697 599387537 /nfs/dbraw/zinc/38/75/37/599387537.db2.gz KZMOGJKDHYWVCS-UONOGXRCSA-N 1 0 380.452 2.862 20 0 GFADRO C[C@@H]([NH2+][C@@H](C)C(=O)N1c2ccccc2C[C@H]1C)c1cccc(-c2nn[nH]n2)c1 ZINC000820414530 599388527 /nfs/dbraw/zinc/38/85/27/599388527.db2.gz YWTYGKKSNPKBIK-KFWWJZLASA-N 1 0 376.464 2.884 20 0 GFADRO COc1ccc(C[NH2+][C@@H](C)c2cccc(N3CCCC3=O)c2)cc1-c1nn[nH]n1 ZINC000821803302 599416127 /nfs/dbraw/zinc/41/61/27/599416127.db2.gz FFJFBYPOBHNLGJ-AWEZNQCLSA-N 1 0 392.463 2.853 20 0 GFADRO C[C@H](NC(=O)NCCCC[N@@H+]1CCC[C@H](C)C1)c1cccc(-c2nn[nH]n2)c1 ZINC000820709301 599417249 /nfs/dbraw/zinc/41/72/49/599417249.db2.gz GYBJJLHCRWXLBV-HOTGVXAUSA-N 1 0 385.516 2.739 20 0 GFADRO COc1ccc(C[NH2+][C@@H](C)c2ccc(N3CCCC3=O)cc2)cc1-c1nn[nH]n1 ZINC000821805576 599417441 /nfs/dbraw/zinc/41/74/41/599417441.db2.gz VHBYAIMQRGLIDE-AWEZNQCLSA-N 1 0 392.463 2.853 20 0 GFADRO Cc1ccc([C@H](CNC(=O)N[C@H](C)c2cccc(-c3nn[nH]n3)c2)[NH+](C)C)cc1 ZINC000822230515 599436970 /nfs/dbraw/zinc/43/69/70/599436970.db2.gz JBRYDWRKFZVZIP-BEFAXECRSA-N 1 0 393.495 2.838 20 0 GFADRO COc1cc(C[NH2+]CCOc2ccc(-c3nn[nH]n3)cc2)cc(Cl)c1OC ZINC000821717232 599450920 /nfs/dbraw/zinc/45/09/20/599450920.db2.gz MFSCSYVZPFRSJW-UHFFFAOYSA-N 1 0 389.843 2.706 20 0 GFADRO COc1ccc(C[NH2+]CCc2ccn(-c3ccc(F)cc3)n2)cc1-c1nn[nH]n1 ZINC000821813980 599454820 /nfs/dbraw/zinc/45/48/20/599454820.db2.gz QWPKTWTYRKIKPS-UHFFFAOYSA-N 1 0 393.426 2.532 20 0 GFADRO O=C(C[N@H+]1CC[C@H](Cc2ccc(F)cc2)C1)Nc1sccc1-c1nn[nH]n1 ZINC000737875806 599478337 /nfs/dbraw/zinc/47/83/37/599478337.db2.gz MWGOKTVTDMSIAV-CYBMUJFWSA-N 1 0 386.456 2.570 20 0 GFADRO CCN(CC)[C@@H](C[NH2+]Cc1cnc2ccc(-c3nn[nH]n3)cn12)c1ccccc1 ZINC000736533708 599482800 /nfs/dbraw/zinc/48/28/00/599482800.db2.gz IYVCSBOINXPXML-IBGZPJMESA-N 1 0 390.495 2.687 20 0 GFADRO C[C@@H](NC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)c1cccc(-c2nn[nH]n2)c1 ZINC000820356598 599482989 /nfs/dbraw/zinc/48/29/89/599482989.db2.gz AFMGHVZDAMHXEE-KDOFPFPSSA-N 1 0 379.468 2.530 20 0 GFADRO Clc1ccc2ncc(-c3nn[nH]n3)c(NCC[NH+]3Cc4ccccc4C3)c2c1 ZINC000822582827 599501691 /nfs/dbraw/zinc/50/16/91/599501691.db2.gz XUCAAIYTOKFQIA-UHFFFAOYSA-N 1 0 391.866 2.918 20 0 GFADRO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1cc(-c2nn[nH]n2)cn1C(C)(C)C ZINC000820995738 599555003 /nfs/dbraw/zinc/55/50/03/599555003.db2.gz WRSJQNNJYKCSPL-LSDHHAIUSA-N 1 0 386.504 2.514 20 0 GFADRO C[N@@H+]1CCC[C@@H](CNC(=O)c2cccc(Nc3ccc(-c4nn[nH]n4)cc3)c2)C1 ZINC000736858164 599569928 /nfs/dbraw/zinc/56/99/28/599569928.db2.gz QMCGSPGRHWNXNP-HNNXBMFYSA-N 1 0 391.479 2.682 20 0 GFADRO c1cc(-c2nnc(C[N@@H+](C[C@H]3CCCO3)C3CCCC3)o2)ccc1-c1nn[nH]n1 ZINC000823737428 599581247 /nfs/dbraw/zinc/58/12/47/599581247.db2.gz DNLXKWGVXBNOES-QGZVFWFLSA-N 1 0 395.467 2.840 20 0 GFADRO Cc1cccc2c1ncc(-c1nn[nH]n1)c2NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000822334362 599583028 /nfs/dbraw/zinc/58/30/28/599583028.db2.gz CELSYEHMGGSNCJ-UHFFFAOYSA-N 1 0 399.502 2.656 20 0 GFADRO Cc1ccccc1[C@@H]1C[C@@H](C)[N@@H+]([C@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000737424951 599585577 /nfs/dbraw/zinc/58/55/77/599585577.db2.gz ZUPGQJDOQCTLRZ-BJZITVGISA-N 1 0 376.464 2.580 20 0 GFADRO Cc1cc(C[NH2+]Cc2cccc(OCc3ccccc3-c3nn[nH]n3)c2)[nH]n1 ZINC000737265751 599598575 /nfs/dbraw/zinc/59/85/75/599598575.db2.gz ZBQNCISPXBYIMU-UHFFFAOYSA-N 1 0 375.436 2.767 20 0 GFADRO Cc1ccc(C(C)(C)C[N@@H+](C)[C@@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000822227417 599641673 /nfs/dbraw/zinc/64/16/73/599641673.db2.gz HRBUCDZNVBHFEX-GOSISDBHSA-N 1 0 378.480 2.611 20 0 GFADRO C[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(-c2nn[nH]n2)cc1)C1CCCCC1 ZINC000820339246 599675629 /nfs/dbraw/zinc/67/56/29/599675629.db2.gz AKDZWUZRDMAJMX-INIZCTEOSA-N 1 0 399.543 2.909 20 0 GFADRO CN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000821612206 599696713 /nfs/dbraw/zinc/69/67/13/599696713.db2.gz MQROKQGKUUHTHN-HXUWFJFHSA-N 1 0 390.491 2.880 20 0 GFADRO CC(C)Oc1ccc(NC(=O)N2CCC[N@@H+](C(C)C)CC2)cc1-c1nn[nH]n1 ZINC000820165945 607432666 /nfs/dbraw/zinc/43/26/66/607432666.db2.gz SJKLCKMMVLNKPM-UHFFFAOYSA-N 1 0 387.488 2.602 20 0 GFADRO COc1cc(-c2nn[nH]n2)ccc1OCC[N@H+](C)[C@H](C)[C@@H]1Cc2ccccc2O1 ZINC000826175429 607473981 /nfs/dbraw/zinc/47/39/81/607473981.db2.gz DYEKWVQPQLJALC-KUHUBIRLSA-N 1 0 395.463 2.578 20 0 GFADRO CC[NH+]1CCN(c2ccc(NCc3ccc(-c4nn[nH]n4)cc3F)cc2)CC1 ZINC000821277734 607475038 /nfs/dbraw/zinc/47/50/38/607475038.db2.gz WNDGDLPDTMAOGP-UHFFFAOYSA-N 1 0 381.459 2.760 20 0 GFADRO c1cc(OCCC[N@@H+]2CC[C@H]3[C@@H](CCCN3C3CC3)C2)cc(-c2nn[nH]n2)c1 ZINC000826517966 607479536 /nfs/dbraw/zinc/47/95/36/607479536.db2.gz WWNPEDYTIXGFQU-PXNSSMCTSA-N 1 0 382.512 2.584 20 0 GFADRO C[N@H+](Cc1ccnc(-c2nn[nH]n2)c1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000825986337 607488665 /nfs/dbraw/zinc/48/86/65/607488665.db2.gz ZDVXWFJGMAMCRA-JKSUJKDBSA-N 1 0 391.262 2.659 20 0 GFADRO c1ccc(-c2noc(C3CC[NH+](Cc4ccnc(-c5nn[nH]n5)c4)CC3)n2)cc1 ZINC000826520034 607496021 /nfs/dbraw/zinc/49/60/21/607496021.db2.gz YNKZCHLGXBBZBQ-UHFFFAOYSA-N 1 0 388.435 2.691 20 0 GFADRO COc1ccc(C[N@H+](C)C2CCN(Cc3ccccc3)CC2)cc1-c1nn[nH]n1 ZINC000826192289 607521846 /nfs/dbraw/zinc/52/18/46/607521846.db2.gz HRLAWKSRSAKOJQ-UHFFFAOYSA-N 1 0 392.507 2.972 20 0 GFADRO COC(=O)[C@@H](C)C[N@H+](Cc1ccccc1)Cc1cc(-c2nn[nH]n2)ccc1OC ZINC000826104576 607524236 /nfs/dbraw/zinc/52/42/36/607524236.db2.gz ZJVSCACVCCEOBR-HNNXBMFYSA-N 1 0 395.463 2.687 20 0 GFADRO C[NH+]1CCC(C[NH2+]Cc2cccc3c2N(C(=O)[O-])CC3)(N2CCCCC2)CC1 ZINC000828466320 603864514 /nfs/dbraw/zinc/86/45/14/603864514.db2.gz NJKLORSTGCWZCY-UHFFFAOYSA-N 1 0 386.540 2.767 20 0 GFADRO Cc1cc(-c2nn[nH]n2)ccc1C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000826247362 607663909 /nfs/dbraw/zinc/66/39/09/607663909.db2.gz AHKTXIDVCBHLKI-UHFFFAOYSA-N 1 0 390.491 2.612 20 0 GFADRO Cc1cc(-c2nn[nH]n2)ccc1C(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000826250719 607677265 /nfs/dbraw/zinc/67/72/65/607677265.db2.gz OUPMJWNHPUCFBB-UHFFFAOYSA-N 1 0 394.504 2.976 20 0 GFADRO Cc1cc(-c2nn[nH]n2)ccc1C(=O)NC[C@@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000826248470 607688375 /nfs/dbraw/zinc/68/83/75/607688375.db2.gz KPBXKKZIZIQCII-SFHVURJKSA-N 1 0 382.512 2.950 20 0 GFADRO CC1=C(C(=O)[O-])C[C@@H](C[N@@H+](C)CC2CC[NH+](C[C@@H](O)c3ccccc3)CC2)O1 ZINC000833577048 605115175 /nfs/dbraw/zinc/11/51/75/605115175.db2.gz ODNMRLARTJBRLC-PZJWPPBQSA-N 1 0 388.508 2.511 20 0 GFADRO CC(C)(C)OC(=O)N1CCC[C@H](C[NH2+]C2CC[NH+](CCCC(=O)[O-])CC2)C1 ZINC000833436656 605221456 /nfs/dbraw/zinc/22/14/56/605221456.db2.gz KGEVYDOBLOIIBS-MRXNPFEDSA-N 1 0 383.533 2.552 20 0 GFADRO CCCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000825318222 607763571 /nfs/dbraw/zinc/76/35/71/607763571.db2.gz JWQWTACLKHJSPR-LJQANCHMSA-N 1 0 399.543 2.909 20 0 GFADRO CC[N@H+](C)Cc1cccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCCN2C(=O)[O-])c1 ZINC000833856239 605826735 /nfs/dbraw/zinc/82/67/35/605826735.db2.gz BYWOZXSWWZWMHD-XUVXKRRUSA-N 1 0 375.513 2.775 20 0 GFADRO C[C@@H]1CC(C)(C)C[C@](CO)([NH2+]Cc2nnc(-c3cccc(-c4nn[nH]n4)c3)o2)C1 ZINC000820650246 606068103 /nfs/dbraw/zinc/06/81/03/606068103.db2.gz SNKIGVYENHDKFX-ZUOKHONESA-N 1 0 397.483 2.584 20 0 GFADRO CN(Cc1ccccc1)[C@H]1CC[N@H+](CCCOc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000821614835 606113427 /nfs/dbraw/zinc/11/34/27/606113427.db2.gz WSHIBFIPZKYBJK-FQEVSTJZSA-N 1 0 392.507 2.842 20 0 GFADRO O=C(Nc1ccc(F)c(-c2nn[nH]n2)c1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000823337887 606121385 /nfs/dbraw/zinc/12/13/85/606121385.db2.gz VDFCJIXIDRXNJW-UHFFFAOYSA-N 1 0 387.463 2.924 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CN(C)C(=S)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000821268144 606167443 /nfs/dbraw/zinc/16/74/43/606167443.db2.gz ULJUHADNZWFENQ-GFCCVEGCSA-N 1 0 379.921 2.633 20 0 GFADRO C[NH+](C)Cc1ccc(-c2noc(COc3ccc(-c4nn[nH]n4)cc3)n2)cc1 ZINC000821587331 606182467 /nfs/dbraw/zinc/18/24/67/606182467.db2.gz RYHDLMMWPFWPJA-UHFFFAOYSA-N 1 0 377.408 2.557 20 0 GFADRO O[C@H](C[C@@H]1CCC[N@@H+]1CCOc1ccccc1-c1nn[nH]n1)c1cccs1 ZINC000823672448 606186569 /nfs/dbraw/zinc/18/65/69/606186569.db2.gz DUQYNKAGLOVABU-GOEBONIOSA-N 1 0 385.493 2.895 20 0 GFADRO CSc1nnc(CCC[NH2+]Cc2cc(-c3nn[nH]n3)cs2)n1CC(C)C ZINC000821989369 606219896 /nfs/dbraw/zinc/21/98/96/606219896.db2.gz KHPOOKBFRMUSCY-UHFFFAOYSA-N 1 0 392.558 2.620 20 0 GFADRO O[C@@H]([C@@H](Cc1ccccc1)[NH2+]Cc1cc(-c2nn[nH]n2)cs1)C(F)(F)F ZINC000823675388 606220519 /nfs/dbraw/zinc/22/05/19/606220519.db2.gz WNBXWMYTTFQYCB-KGLIPLIRSA-N 1 0 383.399 2.552 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)c1cc(-c2nn[nH]n2)cn1C ZINC000820704343 606227342 /nfs/dbraw/zinc/22/73/42/606227342.db2.gz NTZZTLFYKNESEN-OAHLLOKOSA-N 1 0 393.495 2.510 20 0 GFADRO C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)c2cc(-c3nn[nH]n3)cn2C)cc1 ZINC000820705670 606231138 /nfs/dbraw/zinc/23/11/38/606231138.db2.gz WFGDHINVHNJOMR-AWEZNQCLSA-N 1 0 379.468 2.832 20 0 GFADRO C[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(Sc2ccccc2-c2nn[nH]n2)cc1 ZINC000821625625 606263595 /nfs/dbraw/zinc/26/35/95/606263595.db2.gz SGLVCSJOLBCIBR-HNNXBMFYSA-N 1 0 394.504 2.842 20 0 GFADRO CC[NH+](CC)CCn1ccc2cc(NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)ccc21 ZINC000821197293 606265142 /nfs/dbraw/zinc/26/51/42/606265142.db2.gz IICHDZCVPFGYLG-UHFFFAOYSA-N 1 0 392.467 2.744 20 0 GFADRO CC(C)C[C@@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)[NH2+][C@H](C)c1ccccc1 ZINC000820057360 606272032 /nfs/dbraw/zinc/27/20/32/606272032.db2.gz ZCKDGVZMCYSQJD-PBHICJAKSA-N 1 0 381.484 2.690 20 0 GFADRO CC(C)C[C@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)[NH2+][C@H](C)c1ccccc1 ZINC000820057361 606272097 /nfs/dbraw/zinc/27/20/97/606272097.db2.gz ZCKDGVZMCYSQJD-RHSMWYFYSA-N 1 0 381.484 2.690 20 0 GFADRO CC(C)[C@@](C)(CNC(=O)OC(C)(C)C)[NH2+]Cc1cc(-c2nn[nH]n2)cs1 ZINC000820017424 606307210 /nfs/dbraw/zinc/30/72/10/606307210.db2.gz WXYPDROZJRMPFL-QGZVFWFLSA-N 1 0 380.518 2.957 20 0 GFADRO O=S(=O)(CC[NH2+]Cc1cc2ccccc2s1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823563012 606310267 /nfs/dbraw/zinc/31/02/67/606310267.db2.gz YRSJVLAFXARIDY-UHFFFAOYSA-N 1 0 399.501 2.645 20 0 GFADRO CC(C)C[N@@H+]1CCO[C@@H](CNc2ccc(-c3nn[nH]n3)c(C(F)(F)F)c2)C1 ZINC000820092091 606440976 /nfs/dbraw/zinc/44/09/76/606440976.db2.gz HKYGZVMTIAPSNX-ZDUSSCGKSA-N 1 0 384.406 2.654 20 0 GFADRO O[C@H](COc1ccc(-c2nn[nH]n2)cc1)C[N@@H+]1CCCC[C@H]1c1ccc(F)cc1 ZINC000823696737 606455820 /nfs/dbraw/zinc/45/58/20/606455820.db2.gz GYSUIPFJGHPKJB-ICSRJNTNSA-N 1 0 397.454 2.973 20 0 GFADRO O[C@@H](COc1ccc(-c2nn[nH]n2)cc1)C[NH+]1CCC(c2ccc(F)cc2)CC1 ZINC000823690136 606456123 /nfs/dbraw/zinc/45/61/23/606456123.db2.gz LODNBGNAXLHOJI-LJQANCHMSA-N 1 0 397.454 2.625 20 0 GFADRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000820760508 606483888 /nfs/dbraw/zinc/48/38/88/606483888.db2.gz RDUYTSFGRCQBJV-DNVCBOLYSA-N 1 0 391.479 2.899 20 0 GFADRO FC(F)Oc1cc(-c2nn[nH]n2)ccc1CN1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000822731439 606489271 /nfs/dbraw/zinc/48/92/71/606489271.db2.gz DCARWPDURVZXNL-OAHLLOKOSA-N 1 0 378.427 2.528 20 0 GFADRO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2C(=O)Cc1cccc(-c2nn[nH]n2)c1 ZINC000822274984 606499153 /nfs/dbraw/zinc/49/91/53/606499153.db2.gz MKPNSQGAXXQIEP-ICSRJNTNSA-N 1 0 388.475 2.552 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)Cc2ccc(-c3nn[nH]n3)cc2OC(F)F)C[C@H]1C ZINC000821253196 606500228 /nfs/dbraw/zinc/50/02/28/606500228.db2.gz DVFGEWLENVSZJE-DOMZBBRYSA-N 1 0 380.443 2.773 20 0 GFADRO C[C@H](O)C[N@H+](Cc1ccccc1)Cc1ccc(-c2nn[nH]n2)cc1OC(F)F ZINC000820479799 606500614 /nfs/dbraw/zinc/50/06/14/606500614.db2.gz CEEYKTGANYXBOY-ZDUSSCGKSA-N 1 0 389.406 2.851 20 0 GFADRO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@H+]2CCC[C@@H]2C)c1-c1nn[nH]n1 ZINC000822016327 606504584 /nfs/dbraw/zinc/50/45/84/606504584.db2.gz XKIAVFAMJAFTCQ-LBPRGKRZSA-N 1 0 397.458 2.836 20 0 GFADRO O=C(CC[N@@H+](CCC(F)(F)F)CC1CC1)Nc1sccc1-c1nn[nH]n1 ZINC000822964124 606526268 /nfs/dbraw/zinc/52/62/68/606526268.db2.gz DKGCGTNWZMVZJY-UHFFFAOYSA-N 1 0 388.419 2.921 20 0 GFADRO CC[NH+](CC)[C@@H](CNC(=O)c1cc(-c2nn[nH]n2)cs1)Cc1ccccc1 ZINC000821181639 606535287 /nfs/dbraw/zinc/53/52/87/606535287.db2.gz NTFVZVRVGPBKPK-MRXNPFEDSA-N 1 0 384.509 2.611 20 0 GFADRO O=C(NC[C@H]1CCC[N@H+](Cc2cccs2)C1)c1cc(-c2nn[nH]n2)cs1 ZINC000823175239 606539085 /nfs/dbraw/zinc/53/90/85/606539085.db2.gz CNLGLQWPYYLFTK-GFCCVEGCSA-N 1 0 388.522 2.632 20 0 GFADRO CC(C)CN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000820087272 606603140 /nfs/dbraw/zinc/60/31/40/606603140.db2.gz OTCHESCQBVRANZ-RTBURBONSA-N 1 0 399.543 2.907 20 0 GFADRO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)C(=O)Nc2ccccc2-c2nn[nH]n2)C1(CC)CC ZINC000821362096 606621600 /nfs/dbraw/zinc/62/16/00/606621600.db2.gz YIUCZERHQSFXCF-RRQGHBQHSA-N 1 0 386.500 2.767 20 0 GFADRO CC(C)[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)C[C@H](O)COCc1ccccc1 ZINC000820120789 606635669 /nfs/dbraw/zinc/63/56/69/606635669.db2.gz JITPCHQIZYXPTN-FQEVSTJZSA-N 1 0 381.480 2.655 20 0 GFADRO CC(C)Oc1ccc(-c2nn[nH]n2)cc1NC(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000820151880 606640884 /nfs/dbraw/zinc/64/08/84/606640884.db2.gz PVVLQKWDTSRUHG-CYBMUJFWSA-N 1 0 389.504 2.752 20 0 GFADRO CC[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2cccc(Oc3ccc(-c4nn[nH]n4)cc3)c2)C1 ZINC000821242849 606691998 /nfs/dbraw/zinc/69/19/98/606691998.db2.gz XASRVIVBWNWQEF-KUHUBIRLSA-N 1 0 392.463 2.729 20 0 GFADRO C[N@H+](CCCc1[nH]nc(N)c1-c1nn[nH]n1)Cc1ccc(Cl)c(Cl)c1 ZINC000821601553 606701107 /nfs/dbraw/zinc/70/11/07/606701107.db2.gz NMDGTQAMMBSOIF-UHFFFAOYSA-N 1 0 381.271 2.543 20 0 GFADRO C[C@H](C(=O)Nc1ccccc1-c1nn[nH]n1)[N@@H+]1CC[C@H](c2ccc(F)cc2)C1 ZINC000819877369 606713786 /nfs/dbraw/zinc/71/37/86/606713786.db2.gz UTNHQZNLLSZKBE-HIFRSBDPSA-N 1 0 380.427 2.822 20 0 GFADRO CC[C@H](CCO)C[NH2+]Cc1cccc(OCc2ccccc2-c2nn[nH]n2)c1 ZINC000820902854 606725669 /nfs/dbraw/zinc/72/56/69/606725669.db2.gz OVOMMVFFUOQFMQ-MRXNPFEDSA-N 1 0 381.480 2.944 20 0 GFADRO Cc1ccc(C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)c(OC[C@@H]2CCOC2)c1 ZINC000822238537 606728313 /nfs/dbraw/zinc/72/83/13/606728313.db2.gz LPPBSFCITNCZFF-CQSZACIVSA-N 1 0 385.493 2.942 20 0 GFADRO Cc1cc(-c2nn[nH]n2)ccc1Oc1ccc(C(=O)N2CC[C@@H]([NH+](C)C)C2)cc1 ZINC000822136334 606791262 /nfs/dbraw/zinc/79/12/62/606791262.db2.gz LOZLOOUYBSXGCM-QGZVFWFLSA-N 1 0 392.463 2.744 20 0 GFADRO CC[C@@H]1CCC[C@@H]1NC(=O)N(CC[NH+](C)C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000820973392 606837506 /nfs/dbraw/zinc/83/75/06/606837506.db2.gz WTNIPOWLOSRZOJ-AEFFLSMTSA-N 1 0 385.516 2.519 20 0 GFADRO O[C@H](C[NH2+]CCOc1ccc2ccccc2c1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823681534 606848215 /nfs/dbraw/zinc/84/82/15/606848215.db2.gz GECZRXFSMICQHS-HXUWFJFHSA-N 1 0 375.432 2.722 20 0 GFADRO Cc1cc(N2CCC[C@H]2C[NH+](C)C)n2c3ccccc3nc2c1-c1nn[nH]n1 ZINC000822206883 606858756 /nfs/dbraw/zinc/85/87/56/606858756.db2.gz BXHHECNMTOIGFE-AWEZNQCLSA-N 1 0 376.468 2.506 20 0 GFADRO Cc1ccc(N2CC[N@H+](C[C@H](O)c3ccc(-c4nn[nH]n4)cc3)[C@@H](C)C2)cc1C ZINC000822242682 606862805 /nfs/dbraw/zinc/86/28/05/606862805.db2.gz UKBCBJGZNLYEQI-UWJYYQICSA-N 1 0 392.507 2.728 20 0 GFADRO O[C@H](COc1ccc(-c2nn[nH]n2)cc1)C[N@H+]1CC=C(c2ccc(F)cc2)CC1 ZINC000823690037 606867269 /nfs/dbraw/zinc/86/72/69/606867269.db2.gz KTSOADHJTGJYMB-IBGZPJMESA-N 1 0 395.438 2.535 20 0 GFADRO c1csc(CC[NH+]2CCN(CCCOc3cccc(-c4nn[nH]n4)c3)CC2)c1 ZINC000823762364 606888625 /nfs/dbraw/zinc/88/86/25/606888625.db2.gz MVZQPJIJLVRMAG-UHFFFAOYSA-N 1 0 398.536 2.557 20 0 GFADRO C[N@H+](CCCOc1cccc(-c2nn[nH]n2)c1)C[C@H]1OCCc2ccccc21 ZINC000821600497 606891819 /nfs/dbraw/zinc/89/18/19/606891819.db2.gz OWZWNCXHIWSWRV-HXUWFJFHSA-N 1 0 379.464 2.881 20 0 GFADRO Cc1ccc(OC2CC[NH+](C[C@H](O)c3ccc(-c4nn[nH]n4)cc3)CC2)cc1 ZINC000822262995 606899702 /nfs/dbraw/zinc/89/97/02/606899702.db2.gz HMANEULWTYTRHG-FQEVSTJZSA-N 1 0 379.464 2.752 20 0 GFADRO Cc1ccc([C@H]2CSCC[N@@H+]2C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000822233896 606899880 /nfs/dbraw/zinc/89/98/80/606899880.db2.gz XLDMCZCHBPAOQE-RTBURBONSA-N 1 0 381.505 2.999 20 0 GFADRO CCc1nnc(NC2CC[NH+](Cc3ccccc3)CC2)c(-c2nn[nH]n2)c1CC ZINC000821528821 606909240 /nfs/dbraw/zinc/90/92/40/606909240.db2.gz RHSBBYYXDYWNLA-UHFFFAOYSA-N 1 0 392.511 2.858 20 0 GFADRO CCc1nnc(N2CCC[C@H]([NH+]3[C@@H](C)CC[C@@H]3C)C2)c(-c2nn[nH]n2)c1CC ZINC000821523009 606922041 /nfs/dbraw/zinc/92/20/41/606922041.db2.gz QDDOQDUIDIVJST-KKUMJFAQSA-N 1 0 384.532 2.623 20 0 GFADRO O[C@H](C[NH2+]C1(c2ccc(Cl)cc2)CCOCC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823681264 606925681 /nfs/dbraw/zinc/92/56/81/606925681.db2.gz COPJOEHBBSKGHN-GOSISDBHSA-N 1 0 399.882 2.849 20 0 GFADRO Cc1cccc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccc(F)c(-c4nn[nH]n4)c3)C2)n1 ZINC000822323267 606964697 /nfs/dbraw/zinc/96/46/97/606964697.db2.gz BVJGYAZDXBKKDU-OAHLLOKOSA-N 1 0 395.442 2.560 20 0 GFADRO C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+][C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000820225789 607012058 /nfs/dbraw/zinc/01/20/58/607012058.db2.gz PJBZIUDZFCRHOB-VXGBXAGGSA-N 1 0 385.859 2.983 20 0 GFADRO CCOc1ccccc1[C@H](C)[NH2+]C1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1 ZINC000821431046 607048241 /nfs/dbraw/zinc/04/82/41/607048241.db2.gz KLTXDIVJDNIZKE-HNNXBMFYSA-N 1 0 393.495 2.980 20 0 GFADRO COc1ccc(NC(=O)C[C@@H](C)[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)cc1 ZINC000821831904 607059439 /nfs/dbraw/zinc/05/94/39/607059439.db2.gz RORHPHYHSCQCEX-GFCCVEGCSA-N 1 0 384.415 2.521 20 0 GFADRO CC[N@H+](Cc1cc(F)ccc1-c1nn[nH]n1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000821220647 607065094 /nfs/dbraw/zinc/06/50/94/607065094.db2.gz DBBQDJLMCGSMFR-GOSISDBHSA-N 1 0 380.427 2.633 20 0 GFADRO O[C@@]12CCCC[C@@H]1C[N@H+](Cc1ccc(-c3nn[nH]n3)cc1OC(F)F)CC2 ZINC000823699607 607075271 /nfs/dbraw/zinc/07/52/71/607075271.db2.gz WGBYAXDRYWWMSN-RDTXWAMCSA-N 1 0 379.411 2.595 20 0 GFADRO c1ccc2[nH]c(C3C[NH+](CCCOc4cccc(-c5nn[nH]n5)c4)C3)nc2c1 ZINC000823762674 607103848 /nfs/dbraw/zinc/10/38/48/607103848.db2.gz SFNWJQGADJUBQM-UHFFFAOYSA-N 1 0 375.436 2.611 20 0 GFADRO Cc1cccc([C@@H]2CCC[N@@H+]2CCC(=O)Nc2ccc(-c3nn[nH]n3)cc2)n1 ZINC000822299756 607105338 /nfs/dbraw/zinc/10/53/38/607105338.db2.gz UFNIWDMHWSOYEP-SFHVURJKSA-N 1 0 377.452 2.736 20 0 GFADRO CCC1(CC)[C@H](OC)C[C@@H]1[N@H+](C)Cc1nnc(-c2ccc(-c3nn[nH]n3)cc2)o1 ZINC000820958119 607106100 /nfs/dbraw/zinc/10/61/00/607106100.db2.gz RNAXXXGWIWLFJZ-JKSUJKDBSA-N 1 0 397.483 2.942 20 0 GFADRO CCC[C@H](C)[C@@H]1CCC[N@@H+]1CCS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821016722 607147041 /nfs/dbraw/zinc/14/70/41/607147041.db2.gz YWLXVQVADCJNJB-YOEHRIQHSA-N 1 0 377.514 2.541 20 0 GFADRO C[C@H](CNC(=O)Nc1ccc(-c2nn[nH]n2)cc1Cl)[N@@H+]1CCCC[C@H]1C ZINC000820706005 607199686 /nfs/dbraw/zinc/19/96/86/607199686.db2.gz XJVLNLHFEFCJNQ-VXGBXAGGSA-N 1 0 377.880 2.905 20 0 GFADRO O=C(Nc1ccc(-c2nn[nH]n2)cc1Cl)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000823318334 607201088 /nfs/dbraw/zinc/20/10/88/607201088.db2.gz CFJUHRSGPMWQGI-OAHLLOKOSA-N 1 0 397.870 2.916 20 0 GFADRO OC[C@@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)Cc1ccc(C(F)(F)F)cc1 ZINC000823706692 607230017 /nfs/dbraw/zinc/23/00/17/607230017.db2.gz NURHOKBEGFAZRF-OAHLLOKOSA-N 1 0 391.397 2.826 20 0 GFADRO CCC[N@H+](Cc1cccc(C(=O)OC)c1-c1nn[nH]n1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000825323346 607923659 /nfs/dbraw/zinc/92/36/59/607923659.db2.gz UCPDHYATUGUXSC-NXHRZFHOSA-N 1 0 399.495 2.679 20 0 GFADRO FC(F)(F)c1cc(-c2nn[nH]n2)ccc1NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000826368610 608016270 /nfs/dbraw/zinc/01/62/70/608016270.db2.gz WBQRIEBPPSXONI-ZDUSSCGKSA-N 1 0 382.390 2.551 20 0 GFADRO C[C@H](c1ccc(F)c(Cl)c1)[N@H+](C)CCCc1[nH]nc(N)c1-c1nn[nH]n1 ZINC000824761946 608036058 /nfs/dbraw/zinc/03/60/58/608036058.db2.gz DGKANKDFPYKNQW-SECBINFHSA-N 1 0 378.843 2.590 20 0 GFADRO C[C@@H]([NH2+][C@@H]1CCCN(c2ccccc2F)C1=O)c1cccc(-c2nn[nH]n2)c1 ZINC000824547852 608110909 /nfs/dbraw/zinc/11/09/09/608110909.db2.gz SZMUJSNNSMPWNH-CXAGYDPISA-N 1 0 380.427 2.852 20 0 GFADRO CN1CC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)[C@H]1c1ccc(F)c(F)c1 ZINC000826028945 608113692 /nfs/dbraw/zinc/11/36/92/608113692.db2.gz KZFSUCWJHRPNTI-GOEBONIOSA-N 1 0 376.436 2.741 20 0 GFADRO Cc1cccc([C@@H]2CC[N@@H+]([C@@H](C)C(=O)Nc3cccc(-c4nn[nH]n4)c3)C2)c1 ZINC000826297428 608127617 /nfs/dbraw/zinc/12/76/17/608127617.db2.gz HNMUQLYBRKKKEL-MAUKXSAKSA-N 1 0 376.464 2.992 20 0 GFADRO Cn1cc(C[NH2+]CCOc2ccc(-c3nn[nH]n3)cc2)c(C2CCCCC2)n1 ZINC000826361798 608131766 /nfs/dbraw/zinc/13/17/66/608131766.db2.gz PLNRPPBZPLTWDH-UHFFFAOYSA-N 1 0 381.484 2.817 20 0 GFADRO CC(C)(O)C[N@@H+]1CCc2c(cccc2NCc2ccc(-c3nn[nH]n3)s2)C1 ZINC000824172669 608134250 /nfs/dbraw/zinc/13/42/50/608134250.db2.gz NSEMZQABMYPRJF-UHFFFAOYSA-N 1 0 384.509 2.669 20 0 GFADRO C[C@H]1C[C@H](CC[NH2+]Cc2cn(C)nc2-c2ccc(-c3nn[nH]n3)cc2)CCO1 ZINC000824883709 608135616 /nfs/dbraw/zinc/13/56/16/608135616.db2.gz IUVYUVGUDYXIAD-LSDHHAIUSA-N 1 0 381.484 2.562 20 0 GFADRO OCC1(C[NH2+]Cc2cccc(OCc3ccccc3-c3nn[nH]n3)c2)CCC1 ZINC000826508406 608136840 /nfs/dbraw/zinc/13/68/40/608136840.db2.gz OOHQUKMMILBIFF-UHFFFAOYSA-N 1 0 379.464 2.698 20 0 GFADRO CC(C)C[C@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)[NH2+][C@H](C)c1ccccc1 ZINC000824236423 608153765 /nfs/dbraw/zinc/15/37/65/608153765.db2.gz NRIJYCRJFGDYAA-GDBMZVCRSA-N 1 0 381.484 2.690 20 0 GFADRO CCC[C@@H](C(=O)NCc1cccc(-c2ccc(-c3nn[nH]n3)s2)c1)[NH+](C)C ZINC000825224952 608164860 /nfs/dbraw/zinc/16/48/60/608164860.db2.gz HXJDJGGKSKNCMD-HNNXBMFYSA-N 1 0 384.509 2.942 20 0 GFADRO CCOC(=O)C(F)(F)[C@H]1CCC[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC000825492080 608208173 /nfs/dbraw/zinc/20/81/73/608208173.db2.gz CYJIPVPWACKTLF-GJZGRUSLSA-N 1 0 379.411 2.714 20 0 GFADRO CN1CCO[C@H]([C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)c2ccc(Cl)cc2)C1 ZINC000826044879 608242865 /nfs/dbraw/zinc/24/28/65/608242865.db2.gz LPWIYGGQJIPYJP-OALUTQOASA-N 1 0 398.898 2.682 20 0 GFADRO O=C(C=Cc1ccccc1-c1nn[nH]n1)OC[C@@H]1CCC[N@@H+]1Cc1ccco1 ZINC000826402536 608249137 /nfs/dbraw/zinc/24/91/37/608249137.db2.gz WNLRCMVKHXYKPU-SCOAYWHSSA-N 1 0 379.420 2.681 20 0 GFADRO COc1ccc([C@H](OC)[C@H](C)[NH2+]Cc2ccc(OC)c(-c3nn[nH]n3)c2)cc1 ZINC000826188987 608252055 /nfs/dbraw/zinc/25/20/55/608252055.db2.gz KXDKVWJESKBIDZ-ORAYPTAESA-N 1 0 383.452 2.750 20 0 GFADRO COc1ccc([C@H](OC)[C@@H](C)[NH2+]Cc2ccc(OC)c(-c3nn[nH]n3)c2)cc1 ZINC000826188985 608252222 /nfs/dbraw/zinc/25/22/22/608252222.db2.gz KXDKVWJESKBIDZ-BFUOFWGJSA-N 1 0 383.452 2.750 20 0 GFADRO c1cc(-c2nn[nH]n2)ccc1OCCC[N@@H+]1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000826514201 608256489 /nfs/dbraw/zinc/25/64/89/608256489.db2.gz KBWBGWPPMVGUOW-INIZCTEOSA-N 1 0 394.483 2.511 20 0 GFADRO C[C@@H](CCO)[N@H+](CCCOc1ccc(-c2nn[nH]n2)cc1)Cc1ccccc1 ZINC000824406641 608267895 /nfs/dbraw/zinc/26/78/95/608267895.db2.gz OUAVFMKKCFMGJC-KRWDZBQOSA-N 1 0 381.480 2.909 20 0 GFADRO COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+]CCOc1ccc(-c2nn[nH]n2)cc1 ZINC000826180679 608283126 /nfs/dbraw/zinc/28/31/26/608283126.db2.gz RZZARQVNBSVFGA-ZDUSSCGKSA-N 1 0 396.451 2.563 20 0 GFADRO CC[N@@H+]1C[C@H](C)N(C(=O)Nc2ccc(OC(C)C)c(-c3nn[nH]n3)c2)C[C@H]1C ZINC000825444791 608307307 /nfs/dbraw/zinc/30/73/07/608307307.db2.gz QWXVKNIJPOYIQY-KGLIPLIRSA-N 1 0 387.488 2.600 20 0 GFADRO C[C@@H]1CN(C(=O)Cc2ccc(-c3nn[nH]n3)cc2)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC000824966432 608311293 /nfs/dbraw/zinc/31/12/93/608311293.db2.gz BAWHPOVOCWQKFU-SJORKVTESA-N 1 0 390.491 2.531 20 0 GFADRO CCC[N@H+](C)C[C@H]1CCN(Cc2c(-c3nn[nH]n3)c(C)nn2-c2ccccc2)C1 ZINC000825302092 608314074 /nfs/dbraw/zinc/31/40/74/608314074.db2.gz WGWCQGCIARHYPT-QGZVFWFLSA-N 1 0 394.527 2.525 20 0 GFADRO COc1cc(-c2nn[nH]n2)ccc1C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000826169472 608358190 /nfs/dbraw/zinc/35/81/90/608358190.db2.gz TZUADQYWAWYPBW-INIZCTEOSA-N 1 0 379.420 2.941 20 0 GFADRO COc1cc(-c2nn[nH]n2)ccc1CN1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000826168985 608362950 /nfs/dbraw/zinc/36/29/50/608362950.db2.gz DTFSHHADSURGBI-SJORKVTESA-N 1 0 384.528 2.962 20 0 GFADRO CCN(C[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2OC)C1)CC(F)(F)F ZINC000825417014 608366268 /nfs/dbraw/zinc/36/62/68/608366268.db2.gz OAUIJXQEFGMHSG-ZDUSSCGKSA-N 1 0 398.433 2.581 20 0 GFADRO COc1cc(-c2nn[nH]n2)ccc1CN(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000826167692 608366941 /nfs/dbraw/zinc/36/69/41/608366941.db2.gz NPJJFIDVHFGDDU-HXUWFJFHSA-N 1 0 392.507 2.972 20 0 GFADRO COc1ccc([C@H](C)[NH2+]Cc2ccnc(-c3nn[nH]n3)c2)cc1Br ZINC000826189525 608429363 /nfs/dbraw/zinc/42/93/63/608429363.db2.gz XOCYLBQZYJSALA-JTQLQIEISA-N 1 0 389.257 2.884 20 0 GFADRO COc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2oc(C)c(C)c2-c2nn[nH]n2)cc1 ZINC000826188241 608431887 /nfs/dbraw/zinc/43/18/87/608431887.db2.gz RDUBCTDHVUKTQZ-RYUDHWBXSA-N 1 0 384.440 2.763 20 0 GFADRO COc1cc(-c2nn[nH]n2)ccc1OCC[NH2+][C@H](C)c1c(F)cccc1F ZINC000826176616 608433846 /nfs/dbraw/zinc/43/38/46/608433846.db2.gz WPAIMABUSZKSPK-LLVKDONJSA-N 1 0 375.379 2.883 20 0 GFADRO c1ccc([C@@H]2C[C@H]2C[NH2+]C2CCN(c3ccc(-c4nn[nH]n4)cn3)CC2)cc1 ZINC000826520829 608448848 /nfs/dbraw/zinc/44/88/48/608448848.db2.gz SIOWGXXBLDFFPY-HKUYNNGSSA-N 1 0 375.480 2.624 20 0 GFADRO CC(C)Oc1ccccc1[C@@H](C)[NH2+]CC(=O)NCc1cccc(-c2nn[nH]n2)c1 ZINC000824332933 608452418 /nfs/dbraw/zinc/45/24/18/608452418.db2.gz AZDOTKJQIAEOFO-OAHLLOKOSA-N 1 0 394.479 2.621 20 0 GFADRO C[C@@H]([NH2+]CC(=O)NCCCSc1ccccc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824562324 608460974 /nfs/dbraw/zinc/46/09/74/608460974.db2.gz FMBZXZZGWYMJCN-OAHLLOKOSA-N 1 0 396.520 2.816 20 0 GFADRO COc1ccc(NC(=O)C[NH2+][C@@H](C)c2ccc(-c3nn[nH]n3)cc2)cc1Cl ZINC000826209837 608461364 /nfs/dbraw/zinc/46/13/64/608461364.db2.gz SSKLNPFFWVZRCD-NSHDSACASA-N 1 0 386.843 2.818 20 0 GFADRO CCN(Cc1ccccc1)C(=O)[C@H](C)[NH2+][C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000825435173 608461701 /nfs/dbraw/zinc/46/17/01/608461701.db2.gz OIBVHDJLMKMGNR-CVEARBPZSA-N 1 0 378.480 2.955 20 0 GFADRO CC[C@@H]([NH2+][C@H](C)c1ccc(-c2nn[nH]n2)cc1)C(=O)Nc1ccc(OC)cc1 ZINC000825139986 608464007 /nfs/dbraw/zinc/46/40/07/608464007.db2.gz IETQRGTWPURVRG-FZKQIMNGSA-N 1 0 380.452 2.943 20 0 GFADRO CCOc1cccc([C@@H](C)[NH2+]CCC(=O)Nc2cccc(-c3nn[nH]n3)c2)c1 ZINC000825649021 608471847 /nfs/dbraw/zinc/47/18/47/608471847.db2.gz JMDFQRQVDPQTNP-CQSZACIVSA-N 1 0 380.452 2.945 20 0 GFADRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2)c1cccc(O)c1 ZINC000824529114 608475449 /nfs/dbraw/zinc/47/54/49/608475449.db2.gz DVPKHHZLPYUCON-MNOVXSKESA-N 1 0 398.492 2.800 20 0 GFADRO CCN(Cc1ccccc1)C(=O)[C@H](C)[NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1 ZINC000825439850 608482327 /nfs/dbraw/zinc/48/23/27/608482327.db2.gz QNTFOTJPJIGWTO-HOTGVXAUSA-N 1 0 378.480 2.955 20 0 GFADRO C[C@H]([NH2+]CC(=O)Nc1ccc(OC(F)F)cc1)c1cccc(-c2nn[nH]n2)c1 ZINC000824563698 608489469 /nfs/dbraw/zinc/48/94/69/608489469.db2.gz POHPDYWNLYMTRL-NSHDSACASA-N 1 0 388.378 2.757 20 0 GFADRO c1ncn(Cc2ccc(C[NH2+][C@H]3CCCc4cc(-c5nn[nH]n5)ccc43)cc2)n1 ZINC000826526545 608500187 /nfs/dbraw/zinc/50/01/87/608500187.db2.gz CSABUEHRDNITTK-FQEVSTJZSA-N 1 0 386.463 2.674 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCCc2cc(-c3nn[nH]n3)ccc21)c1ccc(S(C)(=O)=O)cc1 ZINC000824548582 608505100 /nfs/dbraw/zinc/50/51/00/608505100.db2.gz XYADHWGMYITKMK-ORAYPTAESA-N 1 0 397.504 2.998 20 0 GFADRO CCc1ncc(CN2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)s1 ZINC000825750556 608506500 /nfs/dbraw/zinc/50/65/00/608506500.db2.gz SDSGNGXZVGOZAX-UHFFFAOYSA-N 1 0 383.525 2.594 20 0 GFADRO Cc1cc2cc(C[NH+]3CCN(c4ncccc4-c4nn[nH]n4)CC3)oc2cc1C ZINC000826273122 608508953 /nfs/dbraw/zinc/50/89/53/608508953.db2.gz QGVKDGZLZLRGLH-UHFFFAOYSA-N 1 0 389.463 2.947 20 0 GFADRO c1ccc(-c2cccc(C[NH+]3CCN(c4ncccc4-c4nn[nH]n4)CC3)c2)nc1 ZINC000826519348 608509586 /nfs/dbraw/zinc/50/95/86/608509586.db2.gz VHRUNBPADQHSNV-UHFFFAOYSA-N 1 0 398.474 2.646 20 0 GFADRO CC[C@](C)([NH2+]CCS(=O)(=O)c1cccc(-c2nn[nH]n2)c1)c1ccccc1 ZINC000825044653 608510934 /nfs/dbraw/zinc/51/09/34/608510934.db2.gz RGLLEHWJCQETDK-IBGZPJMESA-N 1 0 385.493 2.555 20 0 GFADRO OCC1CC[NH+](Cc2cccc(OCc3cccc(-c4nn[nH]n4)c3)c2)CC1 ZINC000826509546 608516066 /nfs/dbraw/zinc/51/60/66/608516066.db2.gz YMHCQRCLVPBBPB-UHFFFAOYSA-N 1 0 379.464 2.650 20 0 GFADRO COc1cc(-c2nn[nH]n2)ccc1C[NH2+][C@@H](C)c1ccccc1-n1cccn1 ZINC000826169698 608517952 /nfs/dbraw/zinc/51/79/52/608517952.db2.gz BESVZVADGHMCOE-AWEZNQCLSA-N 1 0 375.436 2.912 20 0 GFADRO Cc1ccoc1C(=O)NCCC[NH2+][C@@H]1CCCc2cc(-c3nn[nH]n3)ccc21 ZINC000826315618 608521219 /nfs/dbraw/zinc/52/12/19/608521219.db2.gz OCSNJPDWLWAQPU-QGZVFWFLSA-N 1 0 380.452 2.555 20 0 GFADRO COc1ccc(C2([NH2+]CC(=O)Nc3sc(C)c(C)c3-c3nn[nH]n3)CC2)cc1 ZINC000826189717 608521289 /nfs/dbraw/zinc/52/12/89/608521289.db2.gz CGOAJCVTJTXVOD-UHFFFAOYSA-N 1 0 398.492 2.771 20 0 GFADRO CCc1ccc([C@H](C)NC(=O)C[NH2+]C2(c3cccc(-c4nn[nH]n4)c3)CC2)cc1 ZINC000825703953 608533236 /nfs/dbraw/zinc/53/32/36/608533236.db2.gz ALEUHLUVLYUBLK-HNNXBMFYSA-N 1 0 390.491 2.885 20 0 GFADRO CC(C)([NH2+]C[C@H](O)COc1ccc(-c2nn[nH]n2)cc1)c1cccc(Cl)c1 ZINC000824166260 608535002 /nfs/dbraw/zinc/53/50/02/608535002.db2.gz GLESJZWHLRYLQX-INIZCTEOSA-N 1 0 387.871 2.785 20 0 GFADRO COC[C@@H]([NH2+]Cc1ccnc(-c2nn[nH]n2)c1)c1cccc(C(F)(F)F)c1 ZINC000826150431 608535237 /nfs/dbraw/zinc/53/52/37/608535237.db2.gz DQTMYKMNIRLREY-OAHLLOKOSA-N 1 0 378.358 2.758 20 0 GFADRO CN(C)c1ccccc1C[NH2+]C1CCC(Oc2ccc(-c3nn[nH]n3)cn2)CC1 ZINC000825883869 608569823 /nfs/dbraw/zinc/56/98/23/608569823.db2.gz OHWDVZFEYBPFEC-UHFFFAOYSA-N 1 0 393.495 2.808 20 0 GFADRO COC(=O)[C@@H](C)C[N@H+](C)Cc1cccc(OCc2ccccc2-c2nn[nH]n2)c1 ZINC000826098661 608600647 /nfs/dbraw/zinc/60/06/47/608600647.db2.gz LCFWDFSQFVNJOJ-HNNXBMFYSA-N 1 0 395.463 2.687 20 0 GFADRO C[N@H+](Cc1ccc(-c2nn[nH]n2)s1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000825961710 608659919 /nfs/dbraw/zinc/65/99/19/608659919.db2.gz LQAOQHNGYSSQOC-UHFFFAOYSA-N 1 0 382.493 2.665 20 0 GFADRO O=C(NC[C@H]1CCC[N@H+](Cc2cc(-c3nn[nH]n3)cs2)C1)c1ccccc1 ZINC000826435841 608661470 /nfs/dbraw/zinc/66/14/70/608661470.db2.gz YWWMXXSMUKGNAY-CQSZACIVSA-N 1 0 382.493 2.570 20 0 GFADRO C[NH+](C)[C@H]1CCCN(Cc2cccc(OCc3cccc(-c4nn[nH]n4)c3)c2)C1 ZINC000825856122 608670703 /nfs/dbraw/zinc/67/07/03/608670703.db2.gz OMMSGVZEWPDXRO-FQEVSTJZSA-N 1 0 392.507 2.972 20 0 GFADRO CCc1nn(C)c(CC)c1C[NH+]1CCC(Oc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000825755376 608681127 /nfs/dbraw/zinc/68/11/27/608681127.db2.gz WJTGLBGFQRIAAV-UHFFFAOYSA-N 1 0 395.511 2.768 20 0 GFADRO c1ccc(C[N@@H+]2CCC[C@H]3CN(c4cnccc4-c4nn[nH]n4)CC[C@@H]32)cc1 ZINC000826521436 608795045 /nfs/dbraw/zinc/79/50/45/608795045.db2.gz MFMQFHHRRDBRRW-HKUYNNGSSA-N 1 0 375.480 2.753 20 0 GFADRO CCCNC(=O)c1cccc(C[NH2+][C@H](C)c2ccc(-c3nn[nH]n3)c(F)c2)c1 ZINC000825332395 609133483 /nfs/dbraw/zinc/13/34/83/609133483.db2.gz HJROYIMTDYJJMX-CYBMUJFWSA-N 1 0 382.443 2.996 20 0 GFADRO C[C@@H](Cc1cccs1)[NH2+][C@@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000824457415 609168916 /nfs/dbraw/zinc/16/89/16/609168916.db2.gz LQEWQYUFQHTSFP-SUMWQHHRSA-N 1 0 382.493 2.644 20 0 GFADRO COc1ccc(NC(=O)C[C@@H](C)[NH2+]C2(c3cccc(-c4nn[nH]n4)c3)CC2)cc1 ZINC000826209556 609251858 /nfs/dbraw/zinc/25/18/58/609251858.db2.gz HREKFZLCLRRUPQ-CQSZACIVSA-N 1 0 392.463 2.871 20 0 GFADRO C[C@@H]([NH2+]C[C@@H](c1ccccc1)N1CCOCC1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824573500 609324483 /nfs/dbraw/zinc/32/44/83/609324483.db2.gz ZOUPUTDPWXTXBO-QRWLVFNGSA-N 1 0 396.470 2.730 20 0 GFADRO C[C@H]([NH2+]CC(C)(C)N1C[C@@H](C)O[C@@H](C)C1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824977581 609324923 /nfs/dbraw/zinc/32/49/23/609324923.db2.gz RDFMACHIXDWPNJ-MJBXVCDLSA-N 1 0 376.480 2.544 20 0 GFADRO C[C@H]([NH2+]CC(C)(C)N1C[C@@H](C)O[C@H](C)C1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824977579 609325229 /nfs/dbraw/zinc/32/52/29/609325229.db2.gz RDFMACHIXDWPNJ-MCIONIFRSA-N 1 0 376.480 2.544 20 0 GFADRO Cn1cc(C[NH2+]Cc2ccc(Cl)nc2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826361812 609337705 /nfs/dbraw/zinc/33/77/05/609337705.db2.gz QEQGMFYKYBWYKL-UHFFFAOYSA-N 1 0 380.843 2.605 20 0 GFADRO C[C@@H]([NH2+]CC(C)(C)NC(=O)OC(C)(C)C)c1ccc(-c2nn[nH]n2)cc1F ZINC000824570650 609338597 /nfs/dbraw/zinc/33/85/97/609338597.db2.gz OFDHDECSBVHVNR-LLVKDONJSA-N 1 0 378.452 2.960 20 0 GFADRO Cn1cc(C[NH2+]C[C@H]2[C@@H]3c4ccccc4C[C@H]23)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826360997 609343471 /nfs/dbraw/zinc/34/34/71/609343471.db2.gz GHJZLEUWVMCKCZ-NJDAHSKKSA-N 1 0 397.486 2.943 20 0 GFADRO Brc1cc(-c2nn[nH]n2)ccc1C[N@@H+]1CCC[C@@H]2COCC[C@@H]21 ZINC000823821770 609363269 /nfs/dbraw/zinc/36/32/69/609363269.db2.gz ZSIVIMVFBVTEPD-HIFRSBDPSA-N 1 0 378.274 2.630 20 0 GFADRO CCC[N@H+](C)C[C@@H]1CCN(Cc2ccc(-c3nn[nH]n3)cc2Br)C1 ZINC000825301892 609364149 /nfs/dbraw/zinc/36/41/49/609364149.db2.gz RXTLARJHXFOGJF-ZDUSSCGKSA-N 1 0 393.333 2.793 20 0 GFADRO O=C1[C@H]([NH2+][C@H]2CCc3ccccc3C2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476296 609413349 /nfs/dbraw/zinc/41/33/49/609413349.db2.gz FARAUPGHTUBHBS-AZUAARDMSA-N 1 0 388.475 2.509 20 0 GFADRO O=C1[C@H]([NH2+]Cc2ccc(Cl)s2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826477012 609413522 /nfs/dbraw/zinc/41/35/22/609413522.db2.gz UFGMCTCDEKLGRK-CQSZACIVSA-N 1 0 388.884 2.867 20 0 GFADRO O=C(c1ccc(C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)cc1)N1CCCCC1 ZINC000826472281 609419419 /nfs/dbraw/zinc/41/94/19/609419419.db2.gz FQQYTJCXVAGWGW-UHFFFAOYSA-N 1 0 376.464 2.783 20 0 GFADRO C[C@@H](NC(=O)Nc1cccc(-c2nn[nH]n2)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000824505521 609447540 /nfs/dbraw/zinc/44/75/40/609447540.db2.gz FKQBSXZZHCTYMA-QAPCUYQASA-N 1 0 391.479 2.899 20 0 GFADRO c1ccc(C[NH+]2CCC(CNc3nc4ccccn4c3-c3nn[nH]n3)CC2)cc1 ZINC000826521371 609465914 /nfs/dbraw/zinc/46/59/14/609465914.db2.gz JUMBGVNPQRTCAF-UHFFFAOYSA-N 1 0 388.479 2.839 20 0 GFADRO O=C([C@H]1CC12CC[NH+](Cc1ccc(-c3nn[nH]n3)s1)CC2)N1CCCCC1 ZINC000826398300 609495620 /nfs/dbraw/zinc/49/56/20/609495620.db2.gz UGJFCPKJGDENIR-OAHLLOKOSA-N 1 0 386.525 2.543 20 0 GFADRO COc1ccc(NC(=O)Nc2ccn(CC[NH+](C)C)n2)c(Br)c1 ZINC000470349021 650513437 /nfs/dbraw/zinc/51/34/37/650513437.db2.gz CVDYMGGGCYKMEI-UHFFFAOYSA-N 1 0 382.262 2.860 20 0 GFADRO C[NH+](C)CCn1ccc(NC(=O)[C@H]2C[C@@H]2c2ccc(Br)cc2)n1 ZINC000523071050 650631622 /nfs/dbraw/zinc/63/16/22/650631622.db2.gz KOCINLSLPDJTSA-CABCVRRESA-N 1 0 377.286 2.949 20 0 GFADRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)Nc1cc2c(cc1Br)OCCO2 ZINC000817299443 660189570 /nfs/dbraw/zinc/18/95/70/660189570.db2.gz YFHBQPRLWQQLJJ-LLVKDONJSA-N 1 0 384.274 2.778 20 0 GFADRO CN(C[C@@H](O)c1ccccc1Br)C(=O)NC1CCC([NH+](C)C)CC1 ZINC000817792227 660208719 /nfs/dbraw/zinc/20/87/19/660208719.db2.gz PWJAAUXHQBEQPD-MQBCKMQZSA-N 1 0 398.345 2.997 20 0 GFADRO CS(=O)(=O)c1cc(C(=O)Nc2nc(C3CC[NH2+]CC3)cs2)ccc1Cl ZINC000818006841 660213411 /nfs/dbraw/zinc/21/34/11/660213411.db2.gz NKNPRBVAMGMQPP-UHFFFAOYSA-N 1 0 399.925 2.919 20 0 GFADRO O=C([C@H]1CCN(c2cc(Cl)ccc2Cl)C1=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000818016876 660213943 /nfs/dbraw/zinc/21/39/43/660213943.db2.gz QKPKLLIPBCJMCU-ACJLOTCBSA-N 1 0 382.291 2.701 20 0 GFADRO C[C@@H]1C[C@H](C)N(C(=O)/C=C\c2ccc(I)o2)C[C@@H]1C[NH3+] ZINC000818021647 660214228 /nfs/dbraw/zinc/21/42/28/660214228.db2.gz DAKLFSLBPGCMEG-WEBIGPLISA-N 1 0 388.249 2.729 20 0 GFADRO CCN(CC)S(=O)(=O)c1cc(C(=O)NC(C)(C)CCC[NH3+])ccc1Cl ZINC000818601221 660229715 /nfs/dbraw/zinc/22/97/15/660229715.db2.gz QPLCCFBQVUPVIC-UHFFFAOYSA-N 1 0 389.949 2.618 20 0 GFADRO O=C(NCCCCC[NH+]1CCCC1)c1sccc1S(=O)(=O)C(F)F ZINC000818343300 660223891 /nfs/dbraw/zinc/22/38/91/660223891.db2.gz PTFQEXQKYRRCJL-UHFFFAOYSA-N 1 0 380.482 2.740 20 0 GFADRO O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1cc2cccc(Cl)c2o1 ZINC000818594044 660229420 /nfs/dbraw/zinc/22/94/20/660229420.db2.gz AINMUZQJBHQIHN-CYBMUJFWSA-N 1 0 375.778 2.652 20 0 GFADRO O=C(NCC[NH2+]C[C@H](O)c1ccc(F)c(Br)c1)c1cccs1 ZINC000818962923 660238819 /nfs/dbraw/zinc/23/88/19/660238819.db2.gz AXPRDFRGKWTGPM-ZDUSSCGKSA-N 1 0 387.274 2.703 20 0 GFADRO O[C@@H](C[NH2+]Cc1cccnc1N1CCOCC1)c1ccccc1Br ZINC000818949141 660236982 /nfs/dbraw/zinc/23/69/82/660236982.db2.gz JORPETSZFZLJQB-KRWDZBQOSA-N 1 0 392.297 2.504 20 0 GFADRO O[C@@H](C[NH2+]C[C@@H]1CCN(CC(F)(F)F)C1)c1ccc(Br)cc1 ZINC000818972929 660239916 /nfs/dbraw/zinc/23/99/16/660239916.db2.gz OYZIJBOQHDAMDW-FZMZJTMJSA-N 1 0 381.236 2.956 20 0 GFADRO CC(C)(C)OC(=O)NCC[NH2+]C[C@@](C)(O)c1ccc(Br)cc1F ZINC000818982245 660241292 /nfs/dbraw/zinc/24/12/92/660241292.db2.gz JAJWAWFQDAWPLC-MRXNPFEDSA-N 1 0 391.281 2.910 20 0 GFADRO CN(C[C@H](O)C[NH2+]CCc1ccccc1Br)C(=O)OC(C)(C)C ZINC000818987493 660241856 /nfs/dbraw/zinc/24/18/56/660241856.db2.gz YJVASSLVAHERSO-CQSZACIVSA-N 1 0 387.318 2.809 20 0 GFADRO CN1CCC[C@H](C[NH2+]CCS(C)(=O)=O)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000819082906 660245818 /nfs/dbraw/zinc/24/58/18/660245818.db2.gz XOUVGBUYGQPWKW-GDBMZVCRSA-N 1 0 378.460 2.723 20 0 GFADRO C[C@@](O)(C[NH2+]CCOC[C@H]1CCOC1)c1ccc(Br)cc1Cl ZINC000819046248 660244374 /nfs/dbraw/zinc/24/43/74/660244374.db2.gz ONVXKOYEEOTZCT-BLLLJJGKSA-N 1 0 392.721 2.953 20 0 GFADRO CCS(=O)(=O)N1CCC(C[NH2+]C[C@@H](O)c2ccc(Cl)cc2Cl)CC1 ZINC000819225371 660251055 /nfs/dbraw/zinc/25/10/55/660251055.db2.gz BDYNHBOKLUOVKK-MRXNPFEDSA-N 1 0 395.352 2.678 20 0 GFADRO CCn1cccc(C[NH2+]C[C@](C)(O)c2ccc(Br)cc2F)c1=O ZINC000819272368 660253123 /nfs/dbraw/zinc/25/31/23/660253123.db2.gz SXTQGBUPORBKMZ-KRWDZBQOSA-N 1 0 383.261 2.767 20 0 GFADRO O[C@@H](C[NH2+]CCn1cc(Br)cn1)c1ccccc1C(F)(F)F ZINC000819307594 660254374 /nfs/dbraw/zinc/25/43/74/660254374.db2.gz AWLPKZJRTQGJNL-ZDUSSCGKSA-N 1 0 378.192 2.988 20 0 GFADRO CCO[C@@H]1C[C@H]([NH2+]C[C@@H](O)c2cccc(Br)c2)[C@H]1n1cccn1 ZINC000819332363 660255298 /nfs/dbraw/zinc/25/52/98/660255298.db2.gz BTRLJZWTNJHYFT-YLFCFFPRSA-N 1 0 380.286 2.687 20 0 GFADRO O=S1(=O)C[C@@H](C[NH2+]C[C@@H](O)c2cccc(Br)c2)c2ccccc21 ZINC000819336301 660255518 /nfs/dbraw/zinc/25/55/18/660255518.db2.gz FFRZEYSEHFKRDS-CZUORRHYSA-N 1 0 396.306 2.643 20 0 GFADRO O=c1ccc(Br)cn1CC[NH2+]C[C@@H](O)c1ccc(Cl)c(F)c1 ZINC000819339679 660255785 /nfs/dbraw/zinc/25/57/85/660255785.db2.gz SBUFJIZONYWSEY-CQSZACIVSA-N 1 0 389.652 2.727 20 0 GFADRO CCOC(=O)N1CC[C@H]([NH2+]C[C@@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000819238471 660251486 /nfs/dbraw/zinc/25/14/86/660251486.db2.gz GNEOZKZOKLCANI-QWHCGFSZSA-N 1 0 377.268 2.554 20 0 GFADRO CCOC(=O)N1CC[C@@H]([NH2+]CCC(=O)Nc2ccc(Br)cc2)C1 ZINC000819238326 660251493 /nfs/dbraw/zinc/25/14/93/660251493.db2.gz DBZBZFVRRWKMRM-CQSZACIVSA-N 1 0 384.274 2.598 20 0 GFADRO CON(C)C(=O)CC[NH2+]Cc1cc(Br)ccc1Br ZINC000819242851 660251733 /nfs/dbraw/zinc/25/17/33/660251733.db2.gz SAHZHTNEVKKRMT-UHFFFAOYSA-N 1 0 380.080 2.711 20 0 GFADRO CCOC(=O)c1csc(CC[NH2+]C[C@H](O)c2cccc(Br)c2)n1 ZINC000819256691 660252153 /nfs/dbraw/zinc/25/21/53/660252153.db2.gz OLGPDYPXWOFWJE-AWEZNQCLSA-N 1 0 399.310 2.948 20 0 GFADRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2csc(Br)n2)[C@H](C)C1 ZINC000820035384 660279110 /nfs/dbraw/zinc/27/91/10/660279110.db2.gz LLTAGIPGTKEGHF-VXGBXAGGSA-N 1 0 390.347 2.772 20 0 GFADRO C[C@@H]1C[N@@H+](CCCNC(=O)c2cc(Cl)nc(C(F)(F)F)c2)C[C@H](C)O1 ZINC000820217519 660285471 /nfs/dbraw/zinc/28/54/71/660285471.db2.gz NGRKRDULEVCOJE-PHIMTYICSA-N 1 0 379.810 2.983 20 0 GFADRO C[NH+]1CCC(OCC(=O)NC2(Cc3ccccc3Br)CC2)CC1 ZINC000820343468 660290075 /nfs/dbraw/zinc/29/00/75/660290075.db2.gz WQPGKKSZLGBDAI-UHFFFAOYSA-N 1 0 381.314 2.751 20 0 GFADRO CC(C)[NH+]1CCC(N(C)C(=O)c2csc(I)n2)CC1 ZINC000820546643 660296920 /nfs/dbraw/zinc/29/69/20/660296920.db2.gz KVQRVJFOQSMZAT-UHFFFAOYSA-N 1 0 393.294 2.693 20 0 GFADRO Cn1cc(Br)c(C(=O)NC2CCC3(CC2)CC[NH+](C)CC3)cc1=O ZINC000820857072 660308687 /nfs/dbraw/zinc/30/86/87/660308687.db2.gz WFSUAWSPEQCKIP-UHFFFAOYSA-N 1 0 396.329 2.532 20 0 GFADRO Brc1ncn(CC[NH2+][C@H](c2ccc3c(c2)OCCO3)C2CC2)n1 ZINC000821402043 660324646 /nfs/dbraw/zinc/32/46/46/660324646.db2.gz LKZLNZJLABHPSI-HNNXBMFYSA-N 1 0 379.258 2.553 20 0 GFADRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)Nc1cc(Br)nn1C ZINC000821467422 660326821 /nfs/dbraw/zinc/32/68/21/660326821.db2.gz YQMKOCGMXDLCCW-JSGCOSHPSA-N 1 0 392.301 2.825 20 0 GFADRO C[C@@H](NC(=O)c1cc(N)nc(Br)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000821811243 660334389 /nfs/dbraw/zinc/33/43/89/660334389.db2.gz HGXOFQRKSUNKQD-NEPJUHHUSA-N 1 0 381.318 2.809 20 0 GFADRO CCn1ncc(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)c1Br ZINC000821969559 660337480 /nfs/dbraw/zinc/33/74/80/660337480.db2.gz ZVTIHIDYZPZAHN-XJKSGUPXSA-N 1 0 391.313 2.916 20 0 GFADRO C[C@]1(C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1(Br)Br ZINC000822432997 660345444 /nfs/dbraw/zinc/34/54/44/660345444.db2.gz IUXRRIICPSBNFM-HOSYDEDBSA-N 1 0 380.124 2.626 20 0 GFADRO C[N@@H+]1CCCN(c2ccc(NC(=O)c3cc(Br)[nH]n3)cc2)CC1 ZINC000822512466 660347080 /nfs/dbraw/zinc/34/70/80/660347080.db2.gz FCTDMLXYPJLCLQ-UHFFFAOYSA-N 1 0 378.274 2.566 20 0 GFADRO CO[C@H](C)c1noc(CN2CCC[N@H+](CC[C@H]3CC3(Cl)Cl)CC2)n1 ZINC000822667992 660351455 /nfs/dbraw/zinc/35/14/55/660351455.db2.gz DSFZBXNVKPCATD-OLZOCXBDSA-N 1 0 377.316 2.869 20 0 GFADRO CS(=O)(=O)C1(c2nc(-c3cc(Cl)cc(Cl)c3)no2)CC[NH2+]CC1 ZINC000822696132 660351916 /nfs/dbraw/zinc/35/19/16/660351916.db2.gz KSJYQUMACSFESK-UHFFFAOYSA-N 1 0 376.265 2.667 20 0 GFADRO C[C@]1(C(=O)NC2CC[NH+](CC3CC3)CC2)CC1(Br)Br ZINC000822712822 660352503 /nfs/dbraw/zinc/35/25/03/660352503.db2.gz HTZRZMJVALVPSL-CYBMUJFWSA-N 1 0 394.151 2.873 20 0 GFADRO C[NH+](C)CCNC(=O)c1cccc(CNC(=O)C[C@]2(C)CC2(Cl)Cl)c1 ZINC000823033961 660360210 /nfs/dbraw/zinc/36/02/10/660360210.db2.gz XUZCTNCOIYWYFR-QGZVFWFLSA-N 1 0 386.323 2.568 20 0 GFADRO Cc1ccc(-c2noc(-c3cn([C@H]4CCC[NH2+]C4)nn3)n2)c(Br)c1 ZINC000822808377 660355001 /nfs/dbraw/zinc/35/50/01/660355001.db2.gz SHAVGMNLBYCENZ-NSHDSACASA-N 1 0 389.257 2.991 20 0 GFADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1cc(Cl)c(Br)cc1F ZINC000822879750 660356520 /nfs/dbraw/zinc/35/65/20/660356520.db2.gz WEDWYPSCRKJJCI-NXEZZACHSA-N 1 0 391.668 2.835 20 0 GFADRO CN(CCC[N@H+](C)Cc1ccco1)C(=O)c1cc(N)nc(Br)c1 ZINC000822908044 660357572 /nfs/dbraw/zinc/35/75/72/660357572.db2.gz JIRGBJGDGKFJKC-UHFFFAOYSA-N 1 0 381.274 2.613 20 0 GFADRO Brc1cc(Cc2noc([C@H]3C[C@@]34CC[NH2+]C4)n2)cc2c1OCCO2 ZINC000822946996 660358747 /nfs/dbraw/zinc/35/87/47/660358747.db2.gz MJYCMXOXHRUIGN-PIGZYNQJSA-N 1 0 392.253 2.661 20 0 GFADRO C[C@@H](c1noc(-c2cn(CCCC[NH3+])nn2)n1)c1ccc(Br)cc1 ZINC000822990574 660359492 /nfs/dbraw/zinc/35/94/92/660359492.db2.gz GVMWZRZYUFAROU-LLVKDONJSA-N 1 0 391.273 2.981 20 0 GFADRO Cn1c(C(=O)NC2CCC([NH+](C)C)CC2)cc2cc(Br)cnc21 ZINC000823119373 660362361 /nfs/dbraw/zinc/36/23/61/660362361.db2.gz PYIZCUPNHHPJSH-UHFFFAOYSA-N 1 0 379.302 2.938 20 0 GFADRO COCCN(CC[NH+](C)C)C(=O)C(F)(F)c1ccccc1Br ZINC000823129566 660362762 /nfs/dbraw/zinc/36/27/62/660362762.db2.gz QAAPGZLNCHYBQG-UHFFFAOYSA-N 1 0 379.245 2.578 20 0 GFADRO COCC1(c2nc(-c3c(Cl)nc4cc(Cl)ccn43)no2)CC[NH2+]CC1 ZINC000823221368 660365574 /nfs/dbraw/zinc/36/55/74/660365574.db2.gz MQYXPKVLNHJZCJ-UHFFFAOYSA-N 1 0 382.251 2.959 20 0 GFADRO O=S(=O)(c1ccc(OCC[NH2+]Cc2ccncc2F)cc1)C(F)(F)F ZINC000824032471 660384304 /nfs/dbraw/zinc/38/43/04/660384304.db2.gz QVKJWGYDKLBPER-UHFFFAOYSA-N 1 0 378.347 2.683 20 0 GFADRO COC(=O)c1nn(-c2ccc(Cl)c(Cl)c2)cc1CN[C@H]1CC[N@H+](C)C1 ZINC000823811861 660380552 /nfs/dbraw/zinc/38/05/52/660380552.db2.gz BTKNTDSDWWOZSY-LBPRGKRZSA-N 1 0 383.279 2.759 20 0 GFADRO C[NH+](C)C1(CNC(=O)c2c(Br)nc3n2CCC3)CCCCCC1 ZINC000823872067 660382151 /nfs/dbraw/zinc/38/21/51/660382151.db2.gz XCHOJAOTUVZQNT-UHFFFAOYSA-N 1 0 383.334 2.976 20 0 GFADRO CN(CC[NH+]1CCCCC1)C(=O)c1cc2cc(Br)cnc2n1C ZINC000824109224 660385646 /nfs/dbraw/zinc/38/56/46/660385646.db2.gz RQHURAHNGGLYCJ-UHFFFAOYSA-N 1 0 379.302 2.894 20 0 GFADRO O=C(NC[C@@H]1CSCCS1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000824421254 660391537 /nfs/dbraw/zinc/39/15/37/660391537.db2.gz LELSYVJKUIEEMM-RCCFBDPRSA-N 1 0 377.579 2.751 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)C[C@@H]1C(=O)Nc2c1cccc2Br ZINC000824659159 660399029 /nfs/dbraw/zinc/39/90/29/660399029.db2.gz ZJHDAKVPPHMQJJ-AAEUAGOBSA-N 1 0 394.313 2.864 20 0 GFADRO O=C(Cc1c(Cl)cccc1Br)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000824733637 660400187 /nfs/dbraw/zinc/40/01/87/660400187.db2.gz RGNZQKQJKXMQKK-NWDGAFQWSA-N 1 0 387.705 2.624 20 0 GFADRO CCNC(=O)COc1ccc(C[NH2+]C[C@@]2(C)CC2(Cl)Cl)cc1OC ZINC000824758487 660401045 /nfs/dbraw/zinc/40/10/45/660401045.db2.gz WVGBZVVUGMNACP-MRXNPFEDSA-N 1 0 375.296 2.884 20 0 GFADRO COc1cc(Br)cc(C(=O)NC2CC[NH+](C3CCOCC3)CC2)c1 ZINC000824879954 660404026 /nfs/dbraw/zinc/40/40/26/660404026.db2.gz SQKWZVZSFZFSIW-UHFFFAOYSA-N 1 0 397.313 2.831 20 0 GFADRO COc1ccc(Br)cc1C[C@H](CO)C[NH2+]Cc1ccc(F)nc1 ZINC000825133483 660412151 /nfs/dbraw/zinc/41/21/51/660412151.db2.gz HHKAQCFYFQEDRL-ZDUSSCGKSA-N 1 0 383.261 2.933 20 0 GFADRO Cn1nccc1[C@@H]1C[C@@H]([NH2+]Cc2nc3ccccn3c2Br)CCO1 ZINC000825045224 660408434 /nfs/dbraw/zinc/40/84/34/660408434.db2.gz CMNQLBITUBNVOW-WFASDCNBSA-N 1 0 390.285 2.840 20 0 GFADRO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000825196529 660414558 /nfs/dbraw/zinc/41/45/58/660414558.db2.gz IERTZJYRJDNBKC-CMPLNLGQSA-N 1 0 379.254 2.721 20 0 GFADRO Cc1ccc(-n2nc(Br)cc2C(=O)N[C@@H]2CC[NH2+]C2(C)C)cc1 ZINC000825263332 660417886 /nfs/dbraw/zinc/41/78/86/660417886.db2.gz PZTGHVJQJJITDW-CQSZACIVSA-N 1 0 377.286 2.814 20 0 GFADRO COC(=O)[C@H](c1ccc(Br)s1)N(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC000825381288 660423798 /nfs/dbraw/zinc/42/37/98/660423798.db2.gz MCIQQLKPCBPESE-YGRLFVJLSA-N 1 0 389.315 2.525 20 0 GFADRO O=C(NCCCCC[NH+]1CCCCC1)c1c(Br)nc2n1CCC2 ZINC000825802087 660442399 /nfs/dbraw/zinc/44/23/99/660442399.db2.gz XEKMIXRNSUTPNY-UHFFFAOYSA-N 1 0 383.334 2.978 20 0 GFADRO O=C(Nc1cccc(C2SCCS2)c1)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000825973675 660446916 /nfs/dbraw/zinc/44/69/16/660446916.db2.gz NWKAZOAINGUUTG-AWEZNQCLSA-N 1 0 375.523 2.761 20 0 GFADRO C[C@@]([NH3+])(C(=O)NC[C@@H]1COc2ccccc2C1)c1ccc(Br)cc1 ZINC000825993636 660447218 /nfs/dbraw/zinc/44/72/18/660447218.db2.gz ARBBLTWABXXFCZ-YJYMSZOUSA-N 1 0 389.293 2.991 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)c2cc(Br)n(C)n2)CC[N@@H+]1Cc1ccccc1 ZINC000826721444 660462161 /nfs/dbraw/zinc/46/21/61/660462161.db2.gz GHDTXCZNXUCXLS-UKRRQHHQSA-N 1 0 391.313 2.966 20 0 GFADRO COC1CC[NH+](CCNC(=O)C(F)(F)c2ccccc2Br)CC1 ZINC000826734529 660462681 /nfs/dbraw/zinc/46/26/81/660462681.db2.gz RENUHMUHHFRJBW-UHFFFAOYSA-N 1 0 391.256 2.768 20 0 GFADRO CC(C)(C)OC(=O)N1CC2(C1)C[C@H]([NH2+]Cc1cncc(Br)c1)CO2 ZINC000827062079 660477147 /nfs/dbraw/zinc/47/71/47/660477147.db2.gz VKXKSCRSGGUHLU-AWEZNQCLSA-N 1 0 398.301 2.712 20 0 GFADRO C[N@@H+]1CCCC[C@@H](CNC(=O)[C@@](C)(O)c2ccc(F)c(Br)c2)C1 ZINC000827193538 660483108 /nfs/dbraw/zinc/48/31/08/660483108.db2.gz XPEMDJCHOHMUFN-SJCJKPOMSA-N 1 0 387.293 2.644 20 0 GFADRO C[N@@H+]1CCCC[C@H](CNC(=O)C[C@@H]2C(=O)Nc3c2cccc3Br)C1 ZINC000827193559 660483143 /nfs/dbraw/zinc/48/31/43/660483143.db2.gz XZWALDSLMVVYBJ-OCCSQVGLSA-N 1 0 394.313 2.723 20 0 GFADRO C[N@@H+]1CC[C@H]2CN(C(=O)c3ccc4cncc(Br)c4n3)CC[C@@H]21 ZINC000827219392 660485047 /nfs/dbraw/zinc/48/50/47/660485047.db2.gz NXHSFOOVHFVZDV-WFASDCNBSA-N 1 0 375.270 2.559 20 0 GFADRO CC[NH+](CC)[C@@H](CNC(=O)c1cc(S(C)(=O)=O)ncc1Cl)CC(C)C ZINC000827487960 660499413 /nfs/dbraw/zinc/49/94/13/660499413.db2.gz APSWJNMNYKEQOA-CYBMUJFWSA-N 1 0 389.949 2.625 20 0 GFADRO C[C@]1(CC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)CC1(Cl)Cl ZINC000827919220 660523028 /nfs/dbraw/zinc/52/30/28/660523028.db2.gz HFICBRPQRXQXTJ-JZXOWHBKSA-N 1 0 385.335 2.960 20 0 GFADRO C[S@@](=O)CC[NH+]1CCC(Oc2ccccc2I)CC1 ZINC000828006388 660526074 /nfs/dbraw/zinc/52/60/74/660526074.db2.gz OJYDPDDJRCZVGS-LJQANCHMSA-N 1 0 393.290 2.513 20 0 GFADRO Cc1[nH]nc(Br)c1C(=O)N[C@@H]1CC[N@H+](Cc2cccc(C)c2)C1 ZINC000828216246 660540089 /nfs/dbraw/zinc/54/00/89/660540089.db2.gz ODHPNBQULRQZCU-CQSZACIVSA-N 1 0 377.286 2.793 20 0 GFADRO C[C@H]1CCC[N@@H+]1CCNC(=O)c1ccn(-c2ccc(Br)cc2)n1 ZINC000828833457 660572465 /nfs/dbraw/zinc/57/24/65/660572465.db2.gz GNERBJIFVFGKSO-ZDUSSCGKSA-N 1 0 377.286 2.849 20 0 GFADRO Cc1cc(Br)cc(C(=O)N(C)CC[NH+]2CC3(C2)CCOCC3)c1 ZINC000829247825 660586500 /nfs/dbraw/zinc/58/65/00/660586500.db2.gz TZAAEBGRXIETHX-UHFFFAOYSA-N 1 0 381.314 2.942 20 0 GFADRO C[C@]1(CN2C(=O)N[C@]3(CC[N@H+](Cc4ccccc4)C3)C2=O)CC1(Cl)Cl ZINC000829449027 660592808 /nfs/dbraw/zinc/59/28/08/660592808.db2.gz JGLHVDIFMQCEDR-SJORKVTESA-N 1 0 382.291 2.767 20 0 GFADRO O=C(NCc1ncc(Br)s1)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000829529000 660596012 /nfs/dbraw/zinc/59/60/12/660596012.db2.gz WXCBBGJJGNRNPT-NSHDSACASA-N 1 0 390.372 2.739 20 0 GFADRO CC(C)[N@@H+]1CCC[C@H]1C(=O)Nc1cc(Br)cc2c1NC(=O)CO2 ZINC000829552666 660600637 /nfs/dbraw/zinc/60/06/37/660600637.db2.gz KRZILCRMNKSVRJ-LBPRGKRZSA-N 1 0 382.258 2.591 20 0 GFADRO CC(C)n1ncc(C(=O)O[C@@H](C)C[NH+]2CCCC2)c1I ZINC000870448626 662690418 /nfs/dbraw/zinc/69/04/18/662690418.db2.gz WIYQHAJWRKCDLZ-NSHDSACASA-N 1 0 391.253 2.710 20 0 GFADRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)[C@]2(C)CC2(Br)Br)C1 ZINC000829999792 660629061 /nfs/dbraw/zinc/62/90/61/660629061.db2.gz POILMEIUHYLWRM-AAEUAGOBSA-N 1 0 396.167 2.977 20 0 GFADRO CC[N@H+](CCNC(=O)c1c(Br)nc2n1CCC2)CCC(F)(F)F ZINC000830404662 660652647 /nfs/dbraw/zinc/65/26/47/660652647.db2.gz LPRZIGFLMVJJEP-UHFFFAOYSA-N 1 0 397.239 2.596 20 0 GFADRO COC(=O)c1ccc(CNC(=O)NCCCCCC[NH3+])c(Br)c1 ZINC000831280697 660707384 /nfs/dbraw/zinc/70/73/84/660707384.db2.gz KJMKUIMFOFWABT-UHFFFAOYSA-N 1 0 386.290 2.554 20 0 GFADRO C[N@H+](Cc1ccccc1)C1(CNC(=O)[C@H]2C[C@]2(C)Br)CCOCC1 ZINC000831586664 660713586 /nfs/dbraw/zinc/71/35/86/660713586.db2.gz PQYAMRMOBQBURO-AEFFLSMTSA-N 1 0 395.341 2.957 20 0 GFADRO O=C(N1C[C@@H]2CC[N@@H+](C[C@H](O)c3ccccc3Cl)C[C@@H]2C1)C(F)(F)F ZINC000831576441 660713620 /nfs/dbraw/zinc/71/36/20/660713620.db2.gz GTQCRJAGJYJVKI-ZOWXZIJZSA-N 1 0 376.806 2.716 20 0 GFADRO [NH3+][C@H](CC(=O)NCc1cc(Br)ccc1Br)C1CC1 ZINC000831922232 660737563 /nfs/dbraw/zinc/73/75/63/660737563.db2.gz ZNOFNIBPPMFMDM-GFCCVEGCSA-N 1 0 376.092 2.955 20 0 GFADRO C[NH+](C)C[C@@H](NC(=O)c1c(Br)nc2n1CCC2)c1ccc(F)cc1 ZINC000832027166 660747357 /nfs/dbraw/zinc/74/73/57/660747357.db2.gz ZNINHCVIXLZBDG-CYBMUJFWSA-N 1 0 395.276 2.764 20 0 GFADRO CN1CC[NH+](CC2(C)CCN(C(=O)CC[C@@H]3CC3(Cl)Cl)CC2)CC1 ZINC000832136585 660757145 /nfs/dbraw/zinc/75/71/45/660757145.db2.gz AGZKTCGGEKGHOJ-OAHLLOKOSA-N 1 0 376.372 2.837 20 0 GFADRO CC1([NH+]2CCCCC2)CCN(C(=O)Cc2cc[nH]c(=O)c2Br)CC1 ZINC000832225275 660764833 /nfs/dbraw/zinc/76/48/33/660764833.db2.gz PSPLITWCEFFEOG-UHFFFAOYSA-N 1 0 396.329 2.959 20 0 GFADRO C[C@H]1CC(CC[NH2+]Cc2c(I)cnn2C)C[C@H](C)O1 ZINC000894684629 663475957 /nfs/dbraw/zinc/47/59/57/663475957.db2.gz NPHMUCPJRMLMTD-QWRGUYRKSA-N 1 0 377.270 2.708 20 0 GFADRO CN(CC1([NH+](C)C)CCC1)C(=O)[C@@]1(C)CC1(Br)Br ZINC000832716804 660796665 /nfs/dbraw/zinc/79/66/65/660796665.db2.gz UJSQQXDLIKZMPB-LLVKDONJSA-N 1 0 382.140 2.825 20 0 GFADRO CC(C)(C[NH+]1CCCC1)NS(=O)(=O)c1cnc(Cl)c(Br)c1 ZINC000832756198 660798538 /nfs/dbraw/zinc/79/85/38/660798538.db2.gz LEFAUMRFEHHLDD-UHFFFAOYSA-N 1 0 396.738 2.650 20 0 GFADRO CSC1(CNC(=O)[C@@H](O)c2ccc(Cl)c(Cl)c2)CC[NH+](C)CC1 ZINC000832898508 660803495 /nfs/dbraw/zinc/80/34/95/660803495.db2.gz JUQLBAQAJARBBV-AWEZNQCLSA-N 1 0 377.337 2.970 20 0 GFADRO Cn1nc2cc(Br)ccc2c1C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000834439204 660820105 /nfs/dbraw/zinc/82/01/05/660820105.db2.gz XEBFBJYIBZKUAK-UHFFFAOYSA-N 1 0 377.286 2.552 20 0 GFADRO C[C@H](NCc1ccnc(N2CC[NH+](C)CC2)c1)c1nc(Br)cs1 ZINC000834512923 660822892 /nfs/dbraw/zinc/82/28/92/660822892.db2.gz BVPFMCZDWDLLKQ-LBPRGKRZSA-N 1 0 396.358 2.903 20 0 GFADRO C[C@H](CCCC[NH3+])NC(=O)Cc1csc(NC(=O)Cc2cccs2)n1 ZINC000834791301 660833144 /nfs/dbraw/zinc/83/31/44/660833144.db2.gz GTUWHIQSWQIDNP-GFCCVEGCSA-N 1 0 380.539 2.562 20 0 GFADRO Cc1ccc(-n2nc(Br)cc2C(=O)N[C@H]2C[NH2+]CCC2(F)F)cc1 ZINC000834846209 660834994 /nfs/dbraw/zinc/83/49/94/660834994.db2.gz PFPURCBCZCSEMD-ZDUSSCGKSA-N 1 0 399.239 2.670 20 0 GFADRO C[C@@H]([NH2+]CCS(=O)(=O)C1CCOCC1)c1cccc(OC(F)(F)F)c1 ZINC000834886022 660836925 /nfs/dbraw/zinc/83/69/25/660836925.db2.gz HEGHBIWDJACGOY-GFCCVEGCSA-N 1 0 381.416 2.830 20 0 GFADRO C[C@@H]([NH2+]CCS(=O)(=O)C1CCOCC1)c1ccc(Br)s1 ZINC000834887580 660837055 /nfs/dbraw/zinc/83/70/55/660837055.db2.gz UUTFXERVBKHXDH-SNVBAGLBSA-N 1 0 382.345 2.755 20 0 GFADRO CC[C@@H]([NH2+]CCS(=O)(=O)C(C)(C)C)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000834646072 660828654 /nfs/dbraw/zinc/82/86/54/660828654.db2.gz WDEKFIVGLGNLDK-HUUCEWRRSA-N 1 0 376.563 2.967 20 0 GFADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)NCC[C@@]2(C)CC2(Cl)Cl)CC1 ZINC000836343406 660900474 /nfs/dbraw/zinc/90/04/74/660900474.db2.gz HSBMJBMDRCHCBK-HOCLYGCPSA-N 1 0 379.376 2.533 20 0 GFADRO C[NH+]1CCC(CCNC(=O)NC[C@H](O)c2ccccc2Br)CC1 ZINC000836350875 660900964 /nfs/dbraw/zinc/90/09/64/660900964.db2.gz XQMWXYOFASGNEA-INIZCTEOSA-N 1 0 384.318 2.514 20 0 GFADRO CCN1CC[NH+](CCCCNC(=O)Nc2ccnc(Br)c2C)CC1 ZINC000836678183 660925884 /nfs/dbraw/zinc/92/58/84/660925884.db2.gz XYKWJXOMWUIGBO-UHFFFAOYSA-N 1 0 398.349 2.692 20 0 GFADRO O=C(Nc1ccnc(Br)c1)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000836696512 660932648 /nfs/dbraw/zinc/93/26/48/660932648.db2.gz HAUZBZPDHVAKMU-CABCVRRESA-N 1 0 397.317 2.734 20 0 GFADRO Cc1cc(Br)nc(NC(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000836759606 660938961 /nfs/dbraw/zinc/93/89/61/660938961.db2.gz VVXOFUMJOOPKKC-CHWSQXEVSA-N 1 0 385.306 2.773 20 0 GFADRO CCC[N@H+](CCC(=O)Nc1ccc(Cl)cc1F)[C@@H]1CCS(=O)(=O)C1 ZINC000026661625 654558429 /nfs/dbraw/zinc/55/84/29/654558429.db2.gz KFVRIROMBYVFMT-CYBMUJFWSA-N 1 0 376.881 2.707 20 0 GFADRO CNC(=O)c1ccc(C[N@H+](C)C[C@H](O)c2cccc(Br)c2)cc1 ZINC000029932997 654580816 /nfs/dbraw/zinc/58/08/16/654580816.db2.gz HVVGFWAXZDFYBB-KRWDZBQOSA-N 1 0 377.282 2.974 20 0 GFADRO CCN(CCC[NH2+][C@@H]1CCc2cc(Br)ccc21)S(C)(=O)=O ZINC000040227648 654621416 /nfs/dbraw/zinc/62/14/16/654621416.db2.gz QGXSCWWWVCXUPS-OAHLLOKOSA-N 1 0 375.332 2.698 20 0 GFADRO CC(C)(C[NH+]1CCCC1)NC(=O)/C=C\c1ccc(I)o1 ZINC000837173798 660975703 /nfs/dbraw/zinc/97/57/03/660975703.db2.gz QGNYXSCQXQCJDL-VURMDHGXSA-N 1 0 388.249 2.888 20 0 GFADRO C[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)Nc1ccc(F)cc1Br ZINC000041664679 654629384 /nfs/dbraw/zinc/62/93/84/654629384.db2.gz ZAGZTBHBSCSTBO-NSHDSACASA-N 1 0 386.265 2.517 20 0 GFADRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)C(=O)Nc2ccc(Br)cc2)C1 ZINC000041728941 654630111 /nfs/dbraw/zinc/63/01/11/654630111.db2.gz GFTPVGIMOKPEGV-KBPBESRZSA-N 1 0 396.329 2.872 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)C(=O)NCC[N@H+]1CCC[C@H](C)C1 ZINC000041711889 654630118 /nfs/dbraw/zinc/63/01/18/654630118.db2.gz XVWFOOTZPISMRT-LBPRGKRZSA-N 1 0 382.302 2.544 20 0 GFADRO CC[NH+](CC)CCSCC(=O)NC[C@H](O)c1ccccc1Br ZINC000837198154 660977454 /nfs/dbraw/zinc/97/74/54/660977454.db2.gz PIJUBFJPDGZQKP-HNNXBMFYSA-N 1 0 389.359 2.674 20 0 GFADRO C[N@H+](CCCCNC(=O)/C=C\c1ccc(I)o1)C1CC1 ZINC000837225011 660979825 /nfs/dbraw/zinc/97/98/25/660979825.db2.gz JHIAIOCOULIZTQ-CLFYSBASSA-N 1 0 388.249 2.888 20 0 GFADRO O=C(COC(=O)Cc1c(Cl)cccc1Cl)NC1CC[NH+](C2CC2)CC1 ZINC000042935264 654647122 /nfs/dbraw/zinc/64/71/22/654647122.db2.gz LUQJCLUTNYKBGD-UHFFFAOYSA-N 1 0 385.291 2.822 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)NNC(=O)Cc1ccc(Cl)cc1)c1ccsc1 ZINC000046347486 654679420 /nfs/dbraw/zinc/67/94/20/654679420.db2.gz ZNFLXSQHSBXCCF-OAHLLOKOSA-N 1 0 380.901 2.577 20 0 GFADRO C[C@H]1CCC[N@H+](CCNC(=O)Cc2cc3c(cc2Br)OCCO3)C1 ZINC000046880564 654687122 /nfs/dbraw/zinc/68/71/22/654687122.db2.gz WXWMUIQSAHNLQD-ZDUSSCGKSA-N 1 0 397.313 2.611 20 0 GFADRO C[C@@]1(CNC(=O)NCC2([NH+]3CCOCC3)CCCCC2)CC1(Cl)Cl ZINC000837343372 660987689 /nfs/dbraw/zinc/98/76/89/660987689.db2.gz KYSNWSJQBSFIPX-HNNXBMFYSA-N 1 0 378.344 2.905 20 0 GFADRO COc1ccc(C(=O)NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1Br ZINC000047433765 654694764 /nfs/dbraw/zinc/69/47/64/654694764.db2.gz JAJATINZMADOLF-BETUJISGSA-N 1 0 385.302 2.687 20 0 GFADRO O=C(CSc1nncn1-c1cccc(Cl)c1)NCCC[NH+]1CCCC1 ZINC000047615409 654697781 /nfs/dbraw/zinc/69/77/81/654697781.db2.gz HTJGKIFAPSBMCV-UHFFFAOYSA-N 1 0 379.917 2.615 20 0 GFADRO CC(=O)NCC1CC[NH+](CC(=O)N(C)Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000047771893 654700473 /nfs/dbraw/zinc/70/04/73/654700473.db2.gz PQHIPRWIFWMCOF-UHFFFAOYSA-N 1 0 386.323 2.800 20 0 GFADRO C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)NCC[N@@H+]1CCC[C@H](C)C1 ZINC000048221253 654703803 /nfs/dbraw/zinc/70/38/03/654703803.db2.gz TVLOLVUESQIQSV-QWHCGFSZSA-N 1 0 386.323 2.960 20 0 GFADRO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)c1ccc(F)cc1Br ZINC000048402007 654706179 /nfs/dbraw/zinc/70/61/79/654706179.db2.gz IFGLJQAMQJAQPP-UHFFFAOYSA-N 1 0 386.309 2.686 20 0 GFADRO CC[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000048418988 654706768 /nfs/dbraw/zinc/70/67/68/654706768.db2.gz WJZRCWOUEXXKJA-CQSZACIVSA-N 1 0 387.933 2.793 20 0 GFADRO CC(C)(C[NH2+]Cc1cnn(-c2ccc(Br)cc2)c1)N1CCOCC1 ZINC000048682326 654711296 /nfs/dbraw/zinc/71/12/96/654711296.db2.gz DUSYRWAAMSUJPB-UHFFFAOYSA-N 1 0 393.329 2.835 20 0 GFADRO Cc1cc(NC(=O)C(=O)NCC[NH+](C(C)C)C(C)C)ccc1Br ZINC000048693229 654711460 /nfs/dbraw/zinc/71/14/60/654711460.db2.gz JLTNSWZIGYYOQZ-UHFFFAOYSA-N 1 0 384.318 2.931 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)C(=O)Nc1cccc(Br)c1)c1cccs1 ZINC000048742173 654712434 /nfs/dbraw/zinc/71/24/34/654712434.db2.gz ZPWDXGNWWWWHLX-CYBMUJFWSA-N 1 0 396.310 2.868 20 0 GFADRO O=C(NC[C@@H](O)C(F)(F)F)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000048740911 654712583 /nfs/dbraw/zinc/71/25/83/654712583.db2.gz HRVWPOONQJGMDN-ZIAGYGMSSA-N 1 0 379.810 2.699 20 0 GFADRO Cc1cc(NC(=O)C(=O)NCC2([NH+](C)C)CCCC2)ccc1Br ZINC000048744441 654712736 /nfs/dbraw/zinc/71/27/36/654712736.db2.gz CDJSJGNRXSOBBD-UHFFFAOYSA-N 1 0 382.302 2.687 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000121963438 654725974 /nfs/dbraw/zinc/72/59/74/654725974.db2.gz NMBJXELDZKZXOP-XJKSGUPXSA-N 1 0 394.313 2.639 20 0 GFADRO O=C(NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1ccccc1Br ZINC000122296312 654732839 /nfs/dbraw/zinc/73/28/39/654732839.db2.gz LLHWMAYNUMTMNG-DLBZAZTESA-N 1 0 381.314 2.947 20 0 GFADRO Cc1sc(Br)cc1S(=O)(=O)N1C[C@H]([NH3+])Cc2ccccc21 ZINC000122304884 654733053 /nfs/dbraw/zinc/73/30/53/654733053.db2.gz UFGUUSBLADYOJR-LLVKDONJSA-N 1 0 387.324 2.898 20 0 GFADRO Cc1noc([C@H]2CCC[N@H+](C[C@H](O)COc3ccc(Br)cc3)C2)n1 ZINC000052862234 654740950 /nfs/dbraw/zinc/74/09/50/654740950.db2.gz FBYIBHIKUUGPBU-ZFWWWQNUSA-N 1 0 396.285 2.760 20 0 GFADRO CC[NH+](CC)[C@@H](CNC(=O)c1sccc1-n1cnnn1)c1ccsc1 ZINC000053501827 654747759 /nfs/dbraw/zinc/74/77/59/654747759.db2.gz AYMJQXBDYTUHIV-AWEZNQCLSA-N 1 0 376.511 2.598 20 0 GFADRO C[NH+](C)Cc1ccc(CNC(=O)c2cncc(I)c2)cc1 ZINC000122971280 654748497 /nfs/dbraw/zinc/74/84/97/654748497.db2.gz KUSTZNCGXANDRG-UHFFFAOYSA-N 1 0 395.244 2.678 20 0 GFADRO CC[NH+]1CCN(Cc2ccc(CNC(=O)c3scnc3Cl)cc2)CC1 ZINC000053809876 654750741 /nfs/dbraw/zinc/75/07/41/654750741.db2.gz UNMDRYSQGXZBLY-UHFFFAOYSA-N 1 0 378.929 2.864 20 0 GFADRO C[N@H+](CCC(=O)Nc1ccccc1Br)CC(C)(C)S(C)(=O)=O ZINC000124051282 654769922 /nfs/dbraw/zinc/76/99/22/654769922.db2.gz BFXSICUGTZWOCM-UHFFFAOYSA-N 1 0 391.331 2.533 20 0 GFADRO CCC[C@@](C)(CO)[NH2+]Cc1cc(I)c(OC)c(OC)c1 ZINC000124072484 654770480 /nfs/dbraw/zinc/77/04/80/654770480.db2.gz GROGNRRSFAFZKN-HNNXBMFYSA-N 1 0 393.265 2.949 20 0 GFADRO C[C@@H]1C[C@H](N(C)C(=O)/C=C/c2ccc(I)o2)CC[N@@H+]1C ZINC000124274439 654773400 /nfs/dbraw/zinc/77/34/00/654773400.db2.gz PWZNJGXGUZELEA-ONYUAGEFSA-N 1 0 388.249 2.839 20 0 GFADRO Cc1cc(Br)ccc1C[N@@H+]1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000124513859 654777175 /nfs/dbraw/zinc/77/71/75/654777175.db2.gz OUFQVECQSCZPCI-INIZCTEOSA-N 1 0 381.314 2.828 20 0 GFADRO C[NH+](C)CCn1ccc(NC(=O)N2CCc3cc(Br)sc3C2)n1 ZINC000124776233 654781180 /nfs/dbraw/zinc/78/11/80/654781180.db2.gz ZTHGBCZDZNSORB-UHFFFAOYSA-N 1 0 398.330 2.859 20 0 GFADRO C[C@H]1CN(C(=O)c2c(Br)nc3n2CCCC3)CC[N@@H+](C2CC2)C1 ZINC000837671674 661010681 /nfs/dbraw/zinc/01/06/81/661010681.db2.gz BUKIPYIKNPDVPX-GFCCVEGCSA-N 1 0 381.318 2.538 20 0 GFADRO O[C@@H](COc1cc(Cl)ccc1Cl)CN1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000057941860 654812717 /nfs/dbraw/zinc/81/27/17/654812717.db2.gz FNHUXDVUHOSNOW-HZPDHXFCSA-N 1 0 389.323 2.530 20 0 GFADRO O=S(=O)(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1ccc(Cl)cc1F ZINC000127516484 654831179 /nfs/dbraw/zinc/83/11/79/654831179.db2.gz AYKNBWYUCBJQPL-CVEARBPZSA-N 1 0 390.908 2.525 20 0 GFADRO O=S(=O)(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1cc(F)ccc1Cl ZINC000127527055 654831424 /nfs/dbraw/zinc/83/14/24/654831424.db2.gz JFMQIGPCOFJMAA-HZPDHXFCSA-N 1 0 390.908 2.525 20 0 GFADRO C[C@H](CNC(=O)Cc1cccc(I)c1)C[NH+]1CCCC1 ZINC000127583913 654832196 /nfs/dbraw/zinc/83/21/96/654832196.db2.gz PLHJVJWBTCNEKE-CYBMUJFWSA-N 1 0 386.277 2.682 20 0 GFADRO O=C(c1cccc(I)c1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000127919667 654837376 /nfs/dbraw/zinc/83/73/76/654837376.db2.gz CVHMORGNKPMRRC-CYBMUJFWSA-N 1 0 384.261 2.849 20 0 GFADRO C[NH+](C)CCn1cc(NC(=O)CCc2ccc(Br)cc2F)cn1 ZINC000061634750 654841228 /nfs/dbraw/zinc/84/12/28/654841228.db2.gz NSMAFZTXRUSAPC-UHFFFAOYSA-N 1 0 383.265 2.918 20 0 GFADRO O=C(C[NH+]1CCCCC1)N1CCN(Cc2ccc(Br)s2)CC1 ZINC000061744595 654842358 /nfs/dbraw/zinc/84/23/58/654842358.db2.gz JEXOVMGEVZSZCZ-UHFFFAOYSA-N 1 0 386.359 2.641 20 0 GFADRO O[C@H](COc1ccc(Br)cc1)C[NH+]1CCC(O)(C(F)(F)F)CC1 ZINC000128240100 654842938 /nfs/dbraw/zinc/84/29/38/654842938.db2.gz SZPDELTWUAVDOY-LBPRGKRZSA-N 1 0 398.219 2.578 20 0 GFADRO O=C(NCC[NH+]1CCCCC1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000061981997 654843265 /nfs/dbraw/zinc/84/32/65/654843265.db2.gz CWYNEFUDIFXFPI-UHFFFAOYSA-N 1 0 377.794 2.899 20 0 GFADRO CC[NH+](CC)[C@@H]1CCN(S(=O)(=O)c2ccc(C)cc2Br)C1 ZINC000062983939 654848386 /nfs/dbraw/zinc/84/83/86/654848386.db2.gz KKWTZLHOLGBDCU-CYBMUJFWSA-N 1 0 375.332 2.862 20 0 GFADRO CC(C)(C)CC[NH+]1CCN(Cn2nc(N3CCOCC3)sc2=S)CC1 ZINC000063124604 654849267 /nfs/dbraw/zinc/84/92/67/654849267.db2.gz GJSJZQSXVOFUIG-UHFFFAOYSA-N 1 0 385.603 2.522 20 0 GFADRO COc1ccc(Br)cc1CN(C)C(=S)NC1CC[NH+](C)CC1 ZINC000063143880 654849769 /nfs/dbraw/zinc/84/97/69/654849769.db2.gz LTHOWVCUGVOCNS-UHFFFAOYSA-N 1 0 386.359 2.858 20 0 GFADRO C[NH+]1CCC(NC(=S)NCC2(c3ccc(Cl)cc3)CCOCC2)CC1 ZINC000063172940 654849782 /nfs/dbraw/zinc/84/97/82/654849782.db2.gz RAQGXEXZIUMRRA-UHFFFAOYSA-N 1 0 381.973 2.947 20 0 GFADRO C[NH+]1CCC(CNC(=O)CSc2nnc(-c3ccc(Cl)cc3)o2)CC1 ZINC000129030391 654854583 /nfs/dbraw/zinc/85/45/83/654854583.db2.gz AIWOBHTVLIEGBW-UHFFFAOYSA-N 1 0 380.901 2.940 20 0 GFADRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)c2ccc(F)cc2I)C1 ZINC000063706417 654856519 /nfs/dbraw/zinc/85/65/19/654856519.db2.gz CBKIRFLMXNXSHN-NSHDSACASA-N 1 0 390.240 2.890 20 0 GFADRO CC[NH+]1CCC(NC(=O)CN(C)Cc2cc(Br)ccc2F)CC1 ZINC000063742300 654857071 /nfs/dbraw/zinc/85/70/71/654857071.db2.gz BWBJGOVBSKBEIA-UHFFFAOYSA-N 1 0 386.309 2.621 20 0 GFADRO Cc1cc(S(=O)(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)sc1Br ZINC000129175606 654859132 /nfs/dbraw/zinc/85/91/32/654859132.db2.gz DKDMRDSWNUGRAV-VXGBXAGGSA-N 1 0 393.372 2.924 20 0 GFADRO Cc1sc(Br)cc1S(=O)(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000129176783 654859174 /nfs/dbraw/zinc/85/91/74/654859174.db2.gz YDGDZJSSRFRXNJ-NEPJUHHUSA-N 1 0 393.372 2.924 20 0 GFADRO COc1ccc(S(=O)(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)c(Cl)c1Cl ZINC000266213537 654863682 /nfs/dbraw/zinc/86/36/82/654863682.db2.gz VNACFBRUNDBLJV-LLVKDONJSA-N 1 0 381.325 2.964 20 0 GFADRO COCC[N@H+]1[C@H](C)CN(C[C@H](O)COc2ccc(Cl)cc2Cl)C[C@@H]1C ZINC000129638942 654869527 /nfs/dbraw/zinc/86/95/27/654869527.db2.gz BWDWYIRYYPLKPE-LZWOXQAQSA-N 1 0 391.339 2.774 20 0 GFADRO CC[NH+](CC)CCSCC(=O)N(C)[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000266324890 654872237 /nfs/dbraw/zinc/87/22/37/654872237.db2.gz UUMDSLORGKJMAG-HNNXBMFYSA-N 1 0 386.583 2.685 20 0 GFADRO CC[NH+]1CCN([C@H]2CCN(C(=O)Nc3ccc(Br)c(F)c3)C2)CC1 ZINC000266412210 654877787 /nfs/dbraw/zinc/87/77/87/654877787.db2.gz PCJODPSWIQZVPX-AWEZNQCLSA-N 1 0 399.308 2.832 20 0 GFADRO O=C(NCCC[NH+]1CCCC1)[C@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1 ZINC000065624777 654882492 /nfs/dbraw/zinc/88/24/92/654882492.db2.gz LLSSXDGZQCLCOM-ZDUSSCGKSA-N 1 0 384.307 2.948 20 0 GFADRO Cc1ccc(OC(F)F)c([C@@H](C)[NH2+]CC2CCN(S(C)(=O)=O)CC2)c1 ZINC000130210116 654883953 /nfs/dbraw/zinc/88/39/53/654883953.db2.gz SHXSMLCHIGRAML-CYBMUJFWSA-N 1 0 376.469 2.919 20 0 GFADRO CCCN(CC[NH+](CC)CC)C(=O)c1cc(I)c[nH]1 ZINC000130249732 654886032 /nfs/dbraw/zinc/88/60/32/654886032.db2.gz PDPQSHPZAZQHIB-UHFFFAOYSA-N 1 0 377.270 2.813 20 0 GFADRO Cc1n[nH]c(C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)c1Br ZINC000065930309 654890681 /nfs/dbraw/zinc/89/06/81/654890681.db2.gz LTFFICHBFYNNFM-UHFFFAOYSA-N 1 0 390.285 2.556 20 0 GFADRO CC[C@H](C)[N@H+](C)CCNC(=O)[C@@H]1CCN(c2ccccc2Br)C1=O ZINC000066125088 654895282 /nfs/dbraw/zinc/89/52/82/654895282.db2.gz ASFFSHLBJMGCMQ-KBPBESRZSA-N 1 0 396.329 2.649 20 0 GFADRO C[C@@H]([NH2+]C[C@H](O)c1ccccc1Cl)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000266813230 654895448 /nfs/dbraw/zinc/89/54/48/654895448.db2.gz WTJIVUHXUMQVFW-ACJLOTCBSA-N 1 0 382.913 2.975 20 0 GFADRO O=C(Nc1cc2c(cc1Br)OCCO2)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000066158285 654896256 /nfs/dbraw/zinc/89/62/56/654896256.db2.gz JMZJPMCRFSXUSO-GFCCVEGCSA-N 1 0 396.285 2.922 20 0 GFADRO CC[NH+](CC)CCOC(=O)c1c(F)ccc(S(=O)(=O)CC2CC2)c1F ZINC000838187753 661032191 /nfs/dbraw/zinc/03/21/91/661032191.db2.gz MAWFOEHVDYWSLJ-UHFFFAOYSA-N 1 0 375.437 2.647 20 0 GFADRO CN(Cc1ccccc1Br)C(=O)CN1CCC[C@@H]1C[NH+]1CCCC1 ZINC000066536427 654905459 /nfs/dbraw/zinc/90/54/59/654905459.db2.gz WMMWONFNKABEFL-QGZVFWFLSA-N 1 0 394.357 2.968 20 0 GFADRO C[C@@H]([NH2+]CC1(c2ccc(Br)cc2)CCOCC1)C(=O)NC1CC1 ZINC000267061211 654907809 /nfs/dbraw/zinc/90/78/09/654907809.db2.gz QWEJVNIJNSQYFN-CYBMUJFWSA-N 1 0 381.314 2.754 20 0 GFADRO O=C(NCCCC[NH+]1CCOCC1)NCCCc1cccc(Br)c1 ZINC000066597617 654908712 /nfs/dbraw/zinc/90/87/12/654908712.db2.gz UIXPEMNORKRJAS-UHFFFAOYSA-N 1 0 398.345 2.793 20 0 GFADRO CCCC(=O)N1CSC[C@@H]1C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000066602464 654909097 /nfs/dbraw/zinc/90/90/97/654909097.db2.gz HRXXWRVCXIJAIP-HUUCEWRRSA-N 1 0 381.567 2.703 20 0 GFADRO O=S(=O)(NC1CC[NH+](C2CCCC2)CC1)c1ccc(Br)cn1 ZINC000267166253 654914615 /nfs/dbraw/zinc/91/46/15/654914615.db2.gz GWJTUOLDSXAQNN-UHFFFAOYSA-N 1 0 388.331 2.529 20 0 GFADRO CN(Cc1nc(C(F)(F)F)cs1)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000267207794 654917590 /nfs/dbraw/zinc/91/75/90/654917590.db2.gz ROFSKLOQZUQTJQ-CYBMUJFWSA-N 1 0 382.477 2.741 20 0 GFADRO CC(=O)Nc1ccc(S(=O)(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)cc1Cl ZINC000267214407 654917724 /nfs/dbraw/zinc/91/77/24/654917724.db2.gz PBACCMVMDAQUJJ-AWEZNQCLSA-N 1 0 387.933 2.793 20 0 GFADRO O=C(Nc1ccc(Br)cc1)C1CC[NH+](CCn2ccnc2)CC1 ZINC000131863234 654919559 /nfs/dbraw/zinc/91/95/59/654919559.db2.gz KISJGSXWBSQPPC-UHFFFAOYSA-N 1 0 377.286 2.996 20 0 GFADRO O=C(c1ccccc1I)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000066945582 654923291 /nfs/dbraw/zinc/92/32/91/654923291.db2.gz XQIONEZZUVJEMO-CYBMUJFWSA-N 1 0 384.261 2.992 20 0 GFADRO C[NH+]1CCN(c2ccc(Br)cc2NC(=O)CC[C@@H]2CCOC2)CC1 ZINC000267518901 654932625 /nfs/dbraw/zinc/93/26/25/654932625.db2.gz WMFNPSOPDZDMPD-CQSZACIVSA-N 1 0 396.329 2.956 20 0 GFADRO CC(=O)NC[C@@H]1CCC[N@H+](CCC(=O)Nc2ccccc2Br)C1 ZINC000067413306 654938732 /nfs/dbraw/zinc/93/87/32/654938732.db2.gz OKPRGAIYSHVQAX-AWEZNQCLSA-N 1 0 382.302 2.626 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)C(=O)NC[C@@H](C)[NH+]1CCC(C)CC1 ZINC000067764012 654944994 /nfs/dbraw/zinc/94/49/94/654944994.db2.gz OQVJPZIAFNWCMX-CQSZACIVSA-N 1 0 396.329 2.933 20 0 GFADRO Cn1ncc(I)c1C[NH2+]C[C@H]1CC(C)(C)OC1(C)C ZINC000922949467 664619629 /nfs/dbraw/zinc/61/96/29/664619629.db2.gz ZGVJSNLYZCQDAZ-SNVBAGLBSA-N 1 0 377.270 2.708 20 0 GFADRO CCC[NH+]1CCC(CNC(=O)CNC(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000133281921 654959041 /nfs/dbraw/zinc/95/90/41/654959041.db2.gz QXHKOJRECZRPFG-UHFFFAOYSA-N 1 0 386.323 2.961 20 0 GFADRO O[C@H](CN1CC[NH+](CCCOCC(F)(F)F)CC1)c1ccc(Cl)cc1 ZINC000068301390 654959543 /nfs/dbraw/zinc/95/95/43/654959543.db2.gz XWVMAEHEGXRJIL-MRXNPFEDSA-N 1 0 380.838 2.960 20 0 GFADRO COc1cc(C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@H]2C)cc(OC)c1Br ZINC000268175281 654961809 /nfs/dbraw/zinc/96/18/09/654961809.db2.gz FOPGGIJHQNMETP-MFKMUULPSA-N 1 0 383.286 2.679 20 0 GFADRO COc1cc(Br)ccc1C(=O)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000133388776 654962897 /nfs/dbraw/zinc/96/28/97/654962897.db2.gz QTEWUWJZXAEDIW-UHFFFAOYSA-N 1 0 398.345 2.556 20 0 GFADRO O=C(Cn1cncn1)N(CC[NH+]1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC000068476696 654963923 /nfs/dbraw/zinc/96/39/23/654963923.db2.gz ZGPRRCKEGHDDSR-UHFFFAOYSA-N 1 0 382.295 2.710 20 0 GFADRO CCS(=O)(=O)NCCC[N@@H+]1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000133715846 654971548 /nfs/dbraw/zinc/97/15/48/654971548.db2.gz MSSBGMQYWMDNKH-CYBMUJFWSA-N 1 0 381.325 2.776 20 0 GFADRO CC[NH+](CC)CCCNC(=O)c1c(F)cccc1I ZINC000268457771 654972662 /nfs/dbraw/zinc/97/26/62/654972662.db2.gz SMJBTEWCXFEPFL-UHFFFAOYSA-N 1 0 378.229 2.892 20 0 GFADRO C[NH+](C)[C@@H](CNS(=O)(=O)c1ccc(Br)cc1)Cc1ccccc1 ZINC000069090012 654972769 /nfs/dbraw/zinc/97/27/69/654972769.db2.gz YKNZZPVSBUCHEJ-MRXNPFEDSA-N 1 0 397.338 2.900 20 0 GFADRO Cn1cc(Br)c(CNC(=O)NC2CCC([NH+]3CCCCC3)CC2)n1 ZINC000838508804 661047751 /nfs/dbraw/zinc/04/77/51/661047751.db2.gz VHCLPUPXXKRIBS-UHFFFAOYSA-N 1 0 398.349 2.779 20 0 GFADRO C[C@@H]1CN(C(=O)NC[C@H]2CSCCS2)CC[N@H+](Cc2ccccc2)C1 ZINC000838511615 661048347 /nfs/dbraw/zinc/04/83/47/661048347.db2.gz UGDDOANPCVIFSN-WMZOPIPTSA-N 1 0 379.595 2.999 20 0 GFADRO C[C@H]1CCCC[C@@]1(C[NH3+])NS(=O)(=O)c1ccc(F)cc1Br ZINC000134037177 654981272 /nfs/dbraw/zinc/98/12/72/654981272.db2.gz UIHWXIWETIWAQN-HZMBPMFUSA-N 1 0 379.295 2.774 20 0 GFADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H](C)Oc1ccc(C)cc1Br ZINC000069503640 654982144 /nfs/dbraw/zinc/98/21/44/654982144.db2.gz GPPVSERPKQDBIV-GJZGRUSLSA-N 1 0 399.329 2.752 20 0 GFADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)CCCOc1cccc(Br)c1 ZINC000069529161 654983174 /nfs/dbraw/zinc/98/31/74/654983174.db2.gz YWOLHQWZLHOFKI-MRXNPFEDSA-N 1 0 399.329 2.835 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000134153531 654984919 /nfs/dbraw/zinc/98/49/19/654984919.db2.gz GHOZOACDXOKZNU-CQSZACIVSA-N 1 0 396.329 2.805 20 0 GFADRO O=C(NCCCC[N@H+]1CCC[C@H]1CO)c1c(F)cc(Br)cc1F ZINC000134186828 654985767 /nfs/dbraw/zinc/98/57/67/654985767.db2.gz FOZURJBBHSPNSU-LBPRGKRZSA-N 1 0 391.256 2.694 20 0 GFADRO Cc1c([C@H](C)[NH2+]CCCC(=O)N(C)C)nnn1-c1cccc(Br)c1 ZINC000268839528 654988637 /nfs/dbraw/zinc/98/86/37/654988637.db2.gz QJVKMJVBHRAKSH-LBPRGKRZSA-N 1 0 394.317 2.857 20 0 GFADRO CCN(CCC[NH2+][C@H]1CCc2c1c(Br)ccc2F)S(C)(=O)=O ZINC000134331999 654990949 /nfs/dbraw/zinc/99/09/49/654990949.db2.gz HGINSCVVJHHVLI-AWEZNQCLSA-N 1 0 393.322 2.837 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)C(=O)N1CCC[N@@H+](C(C)C)CC1 ZINC000069989216 654991349 /nfs/dbraw/zinc/99/13/49/654991349.db2.gz MIFZBERIQKQJOJ-UHFFFAOYSA-N 1 0 382.302 2.639 20 0 GFADRO CC[NH+](CC)CCN(Cc1cccs1)S(=O)(=O)c1c(C)nn(C)c1C ZINC000070828238 654995731 /nfs/dbraw/zinc/99/57/31/654995731.db2.gz GJARZQHCXNWLOU-UHFFFAOYSA-N 1 0 384.571 2.631 20 0 GFADRO C[C@H]([NH2+][C@H]1CCCN(S(C)(=O)=O)C1)c1ccc(OCC(F)(F)F)cc1 ZINC000269033231 654995866 /nfs/dbraw/zinc/99/58/66/654995866.db2.gz SCZPBSARPBTSBZ-JSGCOSHPSA-N 1 0 380.432 2.702 20 0 GFADRO CN([C@@H]1CC[NH2+]C1)S(=O)(=O)c1c(Cl)cc(Br)cc1Cl ZINC000071310271 654999684 /nfs/dbraw/zinc/99/96/84/654999684.db2.gz OPTIZBVZLMHIIF-MRVPVSSYSA-N 1 0 388.114 2.738 20 0 GFADRO C[C@H](NC(=O)c1cc(F)c(F)cc1I)[C@H]1CCC[NH2+]C1 ZINC000269213803 655001933 /nfs/dbraw/zinc/00/19/33/655001933.db2.gz QAXUZRRLLLAJDJ-IUCAKERBSA-N 1 0 394.203 2.687 20 0 GFADRO CC[C@@H](C)[C@@H](NC(=O)C[N@H+](C)CCc1ccc(Br)cc1)C(=O)OC ZINC000078611017 655004864 /nfs/dbraw/zinc/00/48/64/655004864.db2.gz AFLBNBJVAAIBLQ-CXAGYDPISA-N 1 0 399.329 2.627 20 0 GFADRO CC(C)OCCOC[C@H](O)C[N@H+](C)Cc1ccc(Br)cc1F ZINC000078874072 655005578 /nfs/dbraw/zinc/00/55/78/655005578.db2.gz BIVZNUKHIUYSBK-OAHLLOKOSA-N 1 0 378.282 2.823 20 0 GFADRO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)NCC[C@@]2(C)CC2(Cl)Cl)CC1 ZINC000838680260 661053576 /nfs/dbraw/zinc/05/35/76/661053576.db2.gz AZPRJSOXCXNWOI-WBVHZDCISA-N 1 0 391.387 2.772 20 0 GFADRO CN1CC[NH+](CCC(C)(C)NC(=O)NCC[C@]2(C)CC2(Cl)Cl)CC1 ZINC000838682552 661054129 /nfs/dbraw/zinc/05/41/29/661054129.db2.gz RPTXAQKMEFFNCL-MRXNPFEDSA-N 1 0 379.376 2.676 20 0 GFADRO C[C@@H]([NH2+]CC1(c2cccc(Br)c2)CCCC1)C(=O)N1CCNC1=O ZINC000135125352 655010283 /nfs/dbraw/zinc/01/02/83/655010283.db2.gz RRCLGIVXSSCODE-CYBMUJFWSA-N 1 0 394.313 2.791 20 0 GFADRO O=C(c1ccncc1I)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000135144676 655010416 /nfs/dbraw/zinc/01/04/16/655010416.db2.gz LYKFTSQZLUXFSG-ZDUSSCGKSA-N 1 0 399.276 2.777 20 0 GFADRO CC[NH+]1CCC(n2nccc2NC(=O)c2ccnc(Br)c2)CC1 ZINC000135301784 655013665 /nfs/dbraw/zinc/01/36/65/655013665.db2.gz ZGYSERCYTCTOEB-UHFFFAOYSA-N 1 0 378.274 2.950 20 0 GFADRO CCOC(=O)C1(NC(=O)c2cccc(Br)c2C)CC[NH+](C)CC1 ZINC000135459442 655017324 /nfs/dbraw/zinc/01/73/24/655017324.db2.gz XMFBDPXPLQPZPL-UHFFFAOYSA-N 1 0 383.286 2.515 20 0 GFADRO CC(C)OCC[NH+]1CCN(Cc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000093586449 655020269 /nfs/dbraw/zinc/02/02/69/655020269.db2.gz LJICMYXJNODPSV-UHFFFAOYSA-N 1 0 386.290 2.900 20 0 GFADRO O=C(c1cnn2cc(Br)cnc12)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000094125085 655027769 /nfs/dbraw/zinc/02/77/69/655027769.db2.gz WFAVPQYVVUMQIM-AWEZNQCLSA-N 1 0 392.301 2.582 20 0 GFADRO C[NH+](C)CCn1cc(NC(=O)c2cc(Br)ccc2F)ccc1=O ZINC000270049981 655032678 /nfs/dbraw/zinc/03/26/78/655032678.db2.gz CFIJWUQFUHNGRZ-UHFFFAOYSA-N 1 0 382.233 2.564 20 0 GFADRO C[NH+](C)CCn1cc(NC(=O)c2ccc(F)c(Br)c2)ccc1=O ZINC000270096774 655033992 /nfs/dbraw/zinc/03/39/92/655033992.db2.gz KVYDOLRXYJPXJB-UHFFFAOYSA-N 1 0 382.233 2.564 20 0 GFADRO O=S(=O)(c1cc(F)cc(Cl)c1)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000270154853 655035491 /nfs/dbraw/zinc/03/54/91/655035491.db2.gz IJIBQSFKEYLUKQ-UHFFFAOYSA-N 1 0 390.908 2.745 20 0 GFADRO CN(CC1([NH+](C)C)CCC1)S(=O)(=O)c1ccc(F)cc1Br ZINC000097935698 655038358 /nfs/dbraw/zinc/03/83/58/655038358.db2.gz WZKJQGYIIFEXEM-UHFFFAOYSA-N 1 0 379.295 2.693 20 0 GFADRO Cc1cccc(C(=O)N(C)CC[N@H+](C)C2CCN(C)CC2)c1Br ZINC000270252944 655038853 /nfs/dbraw/zinc/03/88/53/655038853.db2.gz UUDQONNNEJSCTM-UHFFFAOYSA-N 1 0 382.346 2.856 20 0 GFADRO COc1cc(Cl)c(Cl)cc1C(=O)Nc1ccc(=O)n(CC[NH+](C)C)c1 ZINC000270295246 655040381 /nfs/dbraw/zinc/04/03/81/655040381.db2.gz XPVUNSYTKGZOKI-UHFFFAOYSA-N 1 0 384.263 2.978 20 0 GFADRO C[N@@H+]1CC[C@@H](CNC(=O)CN2CCSC2=O)[C@H]1c1ccc(Cl)c(F)c1 ZINC000270603658 655050459 /nfs/dbraw/zinc/05/04/59/655050459.db2.gz HDSBWYWIIFCHKV-BLLLJJGKSA-N 1 0 385.892 2.757 20 0 GFADRO O=C(COc1c(Cl)cccc1Cl)NCCCC[N@H+]1CCC[C@@H]1CO ZINC000270607502 655050558 /nfs/dbraw/zinc/05/05/58/655050558.db2.gz FPPVKZDYMBTREM-CYBMUJFWSA-N 1 0 375.296 2.725 20 0 GFADRO COC(=O)c1nn(CN2CCC(C[NH+]3CCCC3)CC2)c(C)c1Br ZINC000151813649 655054687 /nfs/dbraw/zinc/05/46/87/655054687.db2.gz AWQDCYMIQJYGLK-UHFFFAOYSA-N 1 0 399.333 2.506 20 0 GFADRO O=C(NCC[NH2+]CC1=Cc2cc(Br)ccc2OC1)c1ccco1 ZINC000102420530 655055182 /nfs/dbraw/zinc/05/51/82/655055182.db2.gz LOYDXEKJUVIXTP-UHFFFAOYSA-N 1 0 377.238 2.838 20 0 GFADRO CCOc1cc(CNC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)cc(Br)c1O ZINC000838938370 661064015 /nfs/dbraw/zinc/06/40/15/661064015.db2.gz FHPYBEFUNXEMHP-UONOGXRCSA-N 1 0 385.302 2.506 20 0 GFADRO CCOC(=O)c1ncn(C2CC[NH+](C[C@]3(C)CC3(Cl)Cl)CC2)c1N ZINC000838970432 661066247 /nfs/dbraw/zinc/06/62/47/661066247.db2.gz VMMZAVQGHUOEMG-HNNXBMFYSA-N 1 0 375.300 2.863 20 0 GFADRO Cc1ccc(O)c(C[NH2+]CCCNC(=O)c2cccc(Br)c2)n1 ZINC000103344717 655071555 /nfs/dbraw/zinc/07/15/55/655071555.db2.gz LFMDNYRTSSXARA-UHFFFAOYSA-N 1 0 378.270 2.768 20 0 GFADRO OC[C@H]([NH2+]Cc1cnc(N2CCOCC2)s1)c1ccc(Br)cc1 ZINC000271312538 655075780 /nfs/dbraw/zinc/07/57/80/655075780.db2.gz RJPPSCXUBIHCOY-HNNXBMFYSA-N 1 0 398.326 2.565 20 0 GFADRO Cc1nn(C)c2ncc(C[NH2+][C@@H](CO)c3ccc(Br)cc3)cc12 ZINC000271359918 655077562 /nfs/dbraw/zinc/07/75/62/655077562.db2.gz ZWURQNGPMZOKFO-INIZCTEOSA-N 1 0 375.270 2.862 20 0 GFADRO C[N@@H+]1CC[C@@H](CNC(=O)c2ccc(I)cc2Cl)C1 ZINC000104184325 655079213 /nfs/dbraw/zinc/07/92/13/655079213.db2.gz MSJZDHJQWMBQFH-VIFPVBQESA-N 1 0 378.641 2.626 20 0 GFADRO CCCOc1c(Br)cc(C(=O)NC[C@H]2CC[N@H+](C)C2)cc1OC ZINC000104189841 655079484 /nfs/dbraw/zinc/07/94/84/655079484.db2.gz JMCOYPDNROUINK-GFCCVEGCSA-N 1 0 385.302 2.928 20 0 GFADRO C[C@@H]([NH2+]C[C@@H](O)C1CCOCC1)c1ccccc1I ZINC000271425907 655080770 /nfs/dbraw/zinc/08/07/70/655080770.db2.gz BFTFOGLCGHCTTQ-IAQYHMDHSA-N 1 0 375.250 2.729 20 0 GFADRO C[C@H](CC[S@@](C)=O)[NH2+][C@@H](C)CC(=O)Nc1cccc(Br)c1 ZINC000271446014 655081510 /nfs/dbraw/zinc/08/15/10/655081510.db2.gz FBRVYZAYEXDKNU-SMDDFHAHSA-N 1 0 375.332 2.913 20 0 GFADRO CN(C)C(=O)CN1CCC([NH2+][C@@H]2CCc3c2cccc3Br)CC1 ZINC000271452176 655081689 /nfs/dbraw/zinc/08/16/89/655081689.db2.gz IIGXHFGPNBAOJF-QGZVFWFLSA-N 1 0 380.330 2.579 20 0 GFADRO Cc1ncc([C@@H](C)[NH2+]CCNC(=O)c2cccc(Br)c2)c(C)n1 ZINC000271548937 655085089 /nfs/dbraw/zinc/08/50/89/655085089.db2.gz ZSXIWBLPUGROQX-LLVKDONJSA-N 1 0 377.286 2.937 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(I)c(F)c1 ZINC000104832011 655087216 /nfs/dbraw/zinc/08/72/16/655087216.db2.gz ZGPNUIOWRZMSHS-LLVKDONJSA-N 1 0 376.213 2.644 20 0 GFADRO C[C@@H]1C[N@@H+](CCCNC(=O)[C@H](O)c2cc(Cl)cc(Cl)c2)C[C@H](C)O1 ZINC000155764637 655087459 /nfs/dbraw/zinc/08/74/59/655087459.db2.gz FTBNRGZNZCRYGO-BFQNTYOBSA-N 1 0 375.296 2.642 20 0 GFADRO COCCN(CC[NH+](C)C)C(=O)N[C@@H](C)Cc1ccc(Br)cc1 ZINC000105156257 655089241 /nfs/dbraw/zinc/08/92/41/655089241.db2.gz GLPXVJUMKHVKJN-AWEZNQCLSA-N 1 0 386.334 2.600 20 0 GFADRO COC1(C)CC[NH+](CC(=O)N(C)Cc2cc(Br)cs2)CC1 ZINC000271711120 655092316 /nfs/dbraw/zinc/09/23/16/655092316.db2.gz JACVJXWQCLJVEK-UHFFFAOYSA-N 1 0 375.332 2.970 20 0 GFADRO NC(=O)[C@@H]([NH2+]CCc1cnn(-c2ccccc2)c1)c1ccc(Br)cc1 ZINC000105400734 655092268 /nfs/dbraw/zinc/09/22/68/655092268.db2.gz WZAQSDXJUPQKEV-SFHVURJKSA-N 1 0 399.292 2.994 20 0 GFADRO C[N@@H+]1CC[C@@H](CNC(=O)c2ccc(Cl)c(I)c2)C1 ZINC000105566472 655094954 /nfs/dbraw/zinc/09/49/54/655094954.db2.gz HQQUCEVAUXKEEM-VIFPVBQESA-N 1 0 378.641 2.626 20 0 GFADRO C[N@H+]1CC=C(CNC(=O)C2(c3ccc(Br)cc3)CCOCC2)CC1 ZINC000271785533 655094757 /nfs/dbraw/zinc/09/47/57/655094757.db2.gz BSUIGIPWRWMOCN-UHFFFAOYSA-N 1 0 393.325 2.875 20 0 GFADRO CC(=O)NC[C@H]1CCC[N@H+](Cn2ccc(=O)c3cccc(Br)c32)C1 ZINC000105604511 655095762 /nfs/dbraw/zinc/09/57/62/655095762.db2.gz ISFGIQFRYVGWRN-CQSZACIVSA-N 1 0 392.297 2.570 20 0 GFADRO CN(C)CC(C)(C)[NH2+]C[C@H](O)COc1ccc(Cl)cc1Br ZINC000839092512 661071759 /nfs/dbraw/zinc/07/17/59/661071759.db2.gz PFVFPLZSCCWEMR-LBPRGKRZSA-N 1 0 379.726 2.772 20 0 GFADRO Cc1cc(Br)ccc1C[NH2+][C@@H]1CCO[C@]2(CCS(=O)(=O)C2)C1 ZINC000271959652 655099577 /nfs/dbraw/zinc/09/95/77/655099577.db2.gz FPSKDYGATYPTJO-HZPDHXFCSA-N 1 0 388.327 2.583 20 0 GFADRO Cc1cc(C[NH2+][C@@H]2CCO[C@]3(CCS(=O)(=O)C3)C2)ccc1Br ZINC000272103638 655102801 /nfs/dbraw/zinc/10/28/01/655102801.db2.gz WEASLNFGAFCNMN-GDBMZVCRSA-N 1 0 388.327 2.583 20 0 GFADRO Cc1cc(C[NH2+][C@@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)ccc1Br ZINC000272103641 655102826 /nfs/dbraw/zinc/10/28/26/655102826.db2.gz WEASLNFGAFCNMN-ZBFHGGJFSA-N 1 0 388.327 2.583 20 0 GFADRO Cc1cc(Br)ccc1CC(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000272285834 655108046 /nfs/dbraw/zinc/10/80/46/655108046.db2.gz GBZSEGREMGJOHG-UHFFFAOYSA-N 1 0 383.330 2.605 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)CCC[S@](=O)c2ccc(Br)cc2)C1 ZINC000272314997 655108775 /nfs/dbraw/zinc/10/87/75/655108775.db2.gz SJGIZMACVZSTPH-SASJJMKUSA-N 1 0 387.343 2.533 20 0 GFADRO CC[C@@H](C)[N@H+](C)CCNC(=O)Nc1ccncc1I ZINC000272382359 655110811 /nfs/dbraw/zinc/11/08/11/655110811.db2.gz UNNKVJXTVXOSTG-SNVBAGLBSA-N 1 0 376.242 2.538 20 0 GFADRO O=S(=O)(N[C@H]1CC[N@@H+](C2CCCC2)C1)c1ccc(F)cc1Br ZINC000106891286 655113092 /nfs/dbraw/zinc/11/30/92/655113092.db2.gz QAJQKOFYDDUZOK-LBPRGKRZSA-N 1 0 391.306 2.883 20 0 GFADRO O=C([C@@H](O)c1cc(Cl)cc(Cl)c1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000159777962 655116785 /nfs/dbraw/zinc/11/67/85/655116785.db2.gz ADEZUWLSIVOZGO-KRWDZBQOSA-N 1 0 387.307 2.598 20 0 GFADRO CS(=O)(=O)CCN1CCC([NH2+][C@@H]2CCSc3c(Cl)cccc32)CC1 ZINC000159999795 655118556 /nfs/dbraw/zinc/11/85/56/655118556.db2.gz NLTSMFAJZICEKV-MRXNPFEDSA-N 1 0 388.986 2.976 20 0 GFADRO Cn1nc(Br)cc1NC(=O)/C=C\c1ccc(OCC[NH+](C)C)cc1 ZINC000839362835 661081021 /nfs/dbraw/zinc/08/10/21/661081021.db2.gz LRIBJHNZALMWHC-TWGQIWQCSA-N 1 0 393.285 2.775 20 0 GFADRO C[C@H]1CCC[N@H+](CCNC(=O)c2csc(I)c2)C1 ZINC000107555396 655122283 /nfs/dbraw/zinc/12/22/83/655122283.db2.gz UBPMMZBYIWXHET-JTQLQIEISA-N 1 0 378.279 2.814 20 0 GFADRO C[C@H](NC(=O)c1ccc(F)cc1I)C1=CC[N@H+](C)CC1 ZINC000272828214 655122589 /nfs/dbraw/zinc/12/25/89/655122589.db2.gz YAGJXJHTJQHFAB-JTQLQIEISA-N 1 0 388.224 2.811 20 0 GFADRO C[N@@H+](CC(=O)Nc1ccc(I)cc1)C[C@H]1CCCOC1 ZINC000107691887 655123540 /nfs/dbraw/zinc/12/35/40/655123540.db2.gz PQJHWOJYMIYJSA-GFCCVEGCSA-N 1 0 388.249 2.588 20 0 GFADRO COCCN1CC[C@H]([NH2+]C2CCN(Cc3ccc(Br)cc3)CC2)C1 ZINC000273075642 655129570 /nfs/dbraw/zinc/12/95/70/655129570.db2.gz KBTBIMKUVRFECI-IBGZPJMESA-N 1 0 396.373 2.724 20 0 GFADRO COCC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1ccc(SC(F)(F)F)cc1 ZINC000108400122 655131926 /nfs/dbraw/zinc/13/19/26/655131926.db2.gz YAWQJTXMVPSBEP-LBPRGKRZSA-N 1 0 398.472 2.688 20 0 GFADRO C[N@@H+]1CCC[C@H](CNS(=O)(=O)c2cc(Br)ccc2Cl)C1 ZINC000108406326 655132350 /nfs/dbraw/zinc/13/23/50/655132350.db2.gz OGVJZDGBOGZZFC-SNVBAGLBSA-N 1 0 381.723 2.723 20 0 GFADRO Cn1ncc(C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2ccccc2)c1Br ZINC000273192117 655134544 /nfs/dbraw/zinc/13/45/44/655134544.db2.gz IFCLXYDBYXUTAM-HNNXBMFYSA-N 1 0 391.313 2.967 20 0 GFADRO COc1cc(Br)c(NC(=O)NC[C@@H]2CCC[N@H+](C)C2)cc1OC ZINC000108507803 655134696 /nfs/dbraw/zinc/13/46/96/655134696.db2.gz CKVUDEVCGCHHTH-NSHDSACASA-N 1 0 386.290 2.930 20 0 GFADRO C[N@@H+]1CCC[C@@H](CNC(=O)N2CCO[C@H](c3cccc(Br)c3)C2)C1 ZINC000108590467 655135255 /nfs/dbraw/zinc/13/52/55/655135255.db2.gz JZDKZCMEABRMGH-YOEHRIQHSA-N 1 0 396.329 2.874 20 0 GFADRO CCOC(=O)c1cnn(C)c1NC(=O)C[NH2+][C@@H](CC)c1ccc(Cl)s1 ZINC000273218898 655135539 /nfs/dbraw/zinc/13/55/39/655135539.db2.gz ADPNYJSTOAEBSL-NSHDSACASA-N 1 0 384.889 2.991 20 0 GFADRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1cnn(C)c1Br ZINC000273228874 655135746 /nfs/dbraw/zinc/13/57/46/655135746.db2.gz OFXKJQVYGABKRZ-XJKSGUPXSA-N 1 0 391.313 2.823 20 0 GFADRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1cnn(C)c1Br ZINC000273228872 655135844 /nfs/dbraw/zinc/13/58/44/655135844.db2.gz OFXKJQVYGABKRZ-CZUORRHYSA-N 1 0 391.313 2.823 20 0 GFADRO C[C@@H](CNC(=O)C(=O)Nc1ccc(Br)c(Cl)c1Cl)[NH+](C)C ZINC000273264409 655136873 /nfs/dbraw/zinc/13/68/73/655136873.db2.gz COVNORZZRYZLMQ-ZETCQYMHSA-N 1 0 397.100 2.761 20 0 GFADRO S=c1n(Cc2cccs2)nnn1CN1CC[NH+](C2CCCCC2)CC1 ZINC000165237994 655139765 /nfs/dbraw/zinc/13/97/65/655139765.db2.gz CPNPOKWLWCZKIX-UHFFFAOYSA-N 1 0 378.571 2.827 20 0 GFADRO C[C@@H]([NH2+]C[C@@H](O)COc1ccc(Cl)cc1Br)c1cnn(C)c1 ZINC000273382543 655141538 /nfs/dbraw/zinc/14/15/38/655141538.db2.gz NAGQSURTIBHGMF-ZWNOBZJWSA-N 1 0 388.693 2.927 20 0 GFADRO C[NH+](C)CCCN(C(=O)c1cc(Cl)sc1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000273403047 655142307 /nfs/dbraw/zinc/14/23/07/655142307.db2.gz BHWXTDYHJZQDSV-JTQLQIEISA-N 1 0 399.365 2.636 20 0 GFADRO O=c1ccn(C[NH+]2CCC3(CC2)OCCO3)c2c(Br)cccc12 ZINC000170686097 655145260 /nfs/dbraw/zinc/14/52/60/655145260.db2.gz TXICVLRJHRPUKA-UHFFFAOYSA-N 1 0 379.254 2.560 20 0 GFADRO CS(=O)(=O)c1cccc(Cl)c1C[NH2+]C[C@@H](CO)Cc1ccc(F)cc1 ZINC000273499151 655145458 /nfs/dbraw/zinc/14/54/58/655145458.db2.gz YEERIJRKNGSIHZ-AWEZNQCLSA-N 1 0 385.888 2.823 20 0 GFADRO C[C@H](CNC(=O)C(=O)Nc1cc(Cl)c(N)c(Cl)c1)C[NH+]1CCCCC1 ZINC000839470046 661085564 /nfs/dbraw/zinc/08/55/64/661085564.db2.gz PSUXYCHSLBIFFF-LLVKDONJSA-N 1 0 387.311 2.752 20 0 GFADRO C[N@@H+]1CCCC[C@H]1CN1CCN(C[C@H](O)c2cccc(Br)c2)CC1 ZINC000109753784 655151299 /nfs/dbraw/zinc/15/12/99/655151299.db2.gz OCYZNGVDMJYMOH-OALUTQOASA-N 1 0 396.373 2.584 20 0 GFADRO C[C@@H]1CCC[N@H+](CCNS(=O)(=O)c2cc(Br)ccc2F)C1 ZINC000109817739 655152644 /nfs/dbraw/zinc/15/26/44/655152644.db2.gz XTLUABHPKBVWAW-LLVKDONJSA-N 1 0 379.295 2.598 20 0 GFADRO C[C@H]1C[C@H](N(C)C(=O)Nc2ccncc2I)CC[N@@H+]1C ZINC000273865274 655161487 /nfs/dbraw/zinc/16/14/87/655161487.db2.gz OSJWGFWATABIKB-WDEREUQCSA-N 1 0 388.253 2.633 20 0 GFADRO C[NH+]1CCN([C@@H]2CCCCN(C(=O)c3ccc(F)cc3Br)C2)CC1 ZINC000173276916 655166848 /nfs/dbraw/zinc/16/68/48/655166848.db2.gz RUDNKFZPMYQQRK-OAHLLOKOSA-N 1 0 398.320 2.830 20 0 GFADRO O=C(NCC1([NH+]2CCSCC2)CCCC1)c1ccc(Br)nc1 ZINC000173304118 655167798 /nfs/dbraw/zinc/16/77/98/655167798.db2.gz TVLDYYWYODJPHI-UHFFFAOYSA-N 1 0 384.343 2.936 20 0 GFADRO CC[N@@H+]1CCCC[C@H]1CNS(=O)(=O)c1cc(Br)ccc1OC ZINC000111353175 655170545 /nfs/dbraw/zinc/17/05/45/655170545.db2.gz DPBUQSMPQXGBCX-ZDUSSCGKSA-N 1 0 391.331 2.610 20 0 GFADRO CC(C)COC[C@@H](O)C[NH2+]Cc1nc(-c2cccc(Br)c2)c[nH]1 ZINC000111383601 655172196 /nfs/dbraw/zinc/17/21/96/655172196.db2.gz SFFTYKIETBKFKG-HNNXBMFYSA-N 1 0 382.302 2.962 20 0 GFADRO COCCOC[C@H]1CC[N@H+](CC(=O)Nc2ccc(Br)c(C)c2)C1 ZINC000173726098 655177800 /nfs/dbraw/zinc/17/78/00/655177800.db2.gz ZKVIDWPFEKCLJH-AWEZNQCLSA-N 1 0 385.302 2.681 20 0 GFADRO C[N@H+]1CC=C(CNC(=O)NCc2cc3cc(Br)ccc3[nH]2)CC1 ZINC000274328094 655185172 /nfs/dbraw/zinc/18/51/72/655185172.db2.gz FDCJQFNVBGLEKP-UHFFFAOYSA-N 1 0 377.286 2.992 20 0 GFADRO OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1cncc(Br)c1 ZINC000274340729 655185493 /nfs/dbraw/zinc/18/54/93/655185493.db2.gz PQXQLPBWBIHDQF-HKUYNNGSSA-N 1 0 390.325 2.817 20 0 GFADRO CC[C@H](C)[C@@H](O)C[NH2+]Cc1cc(I)c(OC)c(OC)c1 ZINC000112380764 655190478 /nfs/dbraw/zinc/19/04/78/655190478.db2.gz CKNIPIFPOWUWSK-GWCFXTLKSA-N 1 0 393.265 2.805 20 0 GFADRO O[C@H](C[NH2+]Cc1nc(-c2ccc(Br)cc2)c[nH]1)COCC1CC1 ZINC000112373269 655190560 /nfs/dbraw/zinc/19/05/60/655190560.db2.gz GCAXUJUDZXKJJA-OAHLLOKOSA-N 1 0 380.286 2.716 20 0 GFADRO O=C(CC[N@H+](CCO)CCOCC(F)(F)F)Nc1ccc(Cl)cc1F ZINC000112412600 655191039 /nfs/dbraw/zinc/19/10/39/655191039.db2.gz RXFZUFOBNRPAFD-UHFFFAOYSA-N 1 0 386.773 2.681 20 0 GFADRO C[N@H+](C[C@@H](O)COc1ccccc1F)C[C@@H](O)c1cccc(Br)c1 ZINC000839635755 661097362 /nfs/dbraw/zinc/09/73/62/661097362.db2.gz KCQNZCHTEJKTFT-NVXWUHKLSA-N 1 0 398.272 2.993 20 0 GFADRO COc1c(Br)cccc1CNC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000274734975 655199478 /nfs/dbraw/zinc/19/94/78/655199478.db2.gz BNDYBSMLVMUECE-SJORKVTESA-N 1 0 383.330 2.925 20 0 GFADRO CC[N@H+](C)CCNC(=O)c1nnn(-c2ccc(Br)cc2)c1C1CC1 ZINC000112926199 655200066 /nfs/dbraw/zinc/20/00/66/655200066.db2.gz PIPSWALFZJRVPI-UHFFFAOYSA-N 1 0 392.301 2.589 20 0 GFADRO Cc1cccc(NC(=O)N[C@H](C)CC[NH+]2CCN(C)CC2)c1Br ZINC000274798816 655202438 /nfs/dbraw/zinc/20/24/38/655202438.db2.gz JQEQXYCJQNMOJH-CQSZACIVSA-N 1 0 383.334 2.905 20 0 GFADRO C[C@@H]1C[C@H](N(C)C(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)CC[N@@H+]1C ZINC000174582136 655204139 /nfs/dbraw/zinc/20/41/39/655204139.db2.gz LWRKIWLBJBZZGY-DGCLKSJQSA-N 1 0 375.441 2.629 20 0 GFADRO CC[C@@H]1CN(C(=O)c2cc3cc(Br)ccc3[nH]2)CC[N@@H+]1C[C@@H](C)O ZINC000174593129 655204683 /nfs/dbraw/zinc/20/46/83/655204683.db2.gz HEZRGXSQEMPSQI-IUODEOHRSA-N 1 0 394.313 2.848 20 0 GFADRO Cc1nc(NC(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)ccc1Br ZINC000274952944 655208604 /nfs/dbraw/zinc/20/86/04/655208604.db2.gz HGJCGBRTCVUSBV-GJZGRUSLSA-N 1 0 397.317 2.652 20 0 GFADRO Cc1cc(Br)cc(NC(=O)N[C@H](C)CC[NH+]2CCN(C)CC2)c1 ZINC000274958296 655208943 /nfs/dbraw/zinc/20/89/43/655208943.db2.gz GGWJQXHMOFATSN-CQSZACIVSA-N 1 0 383.334 2.905 20 0 GFADRO CC[N@H+](CCNS(=O)(=O)c1cc(C(=O)OC)c(Cl)cc1Cl)C1CC1 ZINC000175259976 655216699 /nfs/dbraw/zinc/21/66/99/655216699.db2.gz UZFKDTLFECHMEU-UHFFFAOYSA-N 1 0 395.308 2.543 20 0 GFADRO COc1cc(C)c(Br)cc1S(=O)(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000175265634 655217059 /nfs/dbraw/zinc/21/70/59/655217059.db2.gz BSCXSRUXMWWCQR-NSHDSACASA-N 1 0 391.331 2.527 20 0 GFADRO CN(Cc1ccc(Cl)s1)C(=O)C[N@H+](CCC(N)=O)Cc1ccccc1 ZINC000175514897 655221821 /nfs/dbraw/zinc/22/18/21/655221821.db2.gz JMROXFFFSFZEBN-UHFFFAOYSA-N 1 0 379.913 2.738 20 0 GFADRO C[C@@H]([NH2+][C@@H](c1nccn1C)c1ccc(Cl)cc1)C1CCS(=O)(=O)CC1 ZINC000275302708 655228244 /nfs/dbraw/zinc/22/82/44/655228244.db2.gz IHKZDWRSTBERNM-CXAGYDPISA-N 1 0 381.929 2.966 20 0 GFADRO C[C@H](CNC(=O)N1CC[C@H](C[NH+](C)C)C1)Oc1cccc(Br)c1 ZINC000275364365 655232083 /nfs/dbraw/zinc/23/20/83/655232083.db2.gz XVBMBSLGNWZDJB-ZIAGYGMSSA-N 1 0 384.318 2.810 20 0 GFADRO CSc1nnc(CNC(=O)N[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)s1 ZINC000275379650 655232863 /nfs/dbraw/zinc/23/28/63/655232863.db2.gz CXJFSBHGPQQANE-GXTWGEPZSA-N 1 0 377.539 2.722 20 0 GFADRO CC[NH+](CC)[C@@H](CNC(=O)NC[C@]1(O)CCSC1)c1ccccc1Cl ZINC000176150628 655237416 /nfs/dbraw/zinc/23/74/16/655237416.db2.gz CTHVYRQLSYZJTB-FUHWJXTLSA-N 1 0 385.961 2.890 20 0 GFADRO CS[C@@H]1CN(S(=O)(=O)c2ccc(Cl)nc2Cl)C[C@@H]1[NH+]1CCCC1 ZINC000275505654 655239276 /nfs/dbraw/zinc/23/92/76/655239276.db2.gz RTGBMIGMRDMMGZ-WDEREUQCSA-N 1 0 396.365 2.589 20 0 GFADRO Cc1cc(S(=O)(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)sc1Br ZINC000176936298 655262633 /nfs/dbraw/zinc/26/26/33/655262633.db2.gz XRDCRZYKPHCRGW-GHMZBOCLSA-N 1 0 381.361 2.922 20 0 GFADRO Cc1cc(S(=O)(=O)NC[C@H]2CCC[N@@H+](C)C2)c(C)cc1Br ZINC000116898164 655255837 /nfs/dbraw/zinc/25/58/37/655255837.db2.gz WACNFRWLXONKJV-CYBMUJFWSA-N 1 0 375.332 2.686 20 0 GFADRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)c2csc(I)c2)C1 ZINC000177545519 655280579 /nfs/dbraw/zinc/28/05/79/655280579.db2.gz MYGCXYRTOYAOHM-QWRGUYRKSA-N 1 0 378.279 2.955 20 0 GFADRO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)c1cc(=O)[nH]c2c(Br)cccc12 ZINC000176895482 655259430 /nfs/dbraw/zinc/25/94/30/655259430.db2.gz ZFFXIEFBYXTKGX-HNNXBMFYSA-N 1 0 392.297 2.703 20 0 GFADRO Cc1cc(C(=O)N(CC[NH+](C)C)Cc2ccc(Br)cc2)cnn1 ZINC000276080596 655261458 /nfs/dbraw/zinc/26/14/58/655261458.db2.gz OABGOXGROOZGGT-UHFFFAOYSA-N 1 0 377.286 2.752 20 0 GFADRO C[NH+](C)Cc1ccnc(NC(=O)c2cc3c(c(Br)c2)OCO3)c1 ZINC000176927522 655261825 /nfs/dbraw/zinc/26/18/25/655261825.db2.gz SJTJXQXZYQVYND-UHFFFAOYSA-N 1 0 378.226 2.887 20 0 GFADRO C[NH+](C)[C@@H]1CCCN(C(=O)c2nn(-c3ccc(F)cc3)cc2Br)C1 ZINC000117783639 655267731 /nfs/dbraw/zinc/26/77/31/655267731.db2.gz QEGAKCFEEZCKRZ-CQSZACIVSA-N 1 0 395.276 2.940 20 0 GFADRO O=S(=O)(CC[NH2+]Cc1ccc(N2CCCC2)nc1)c1ccc(Cl)cc1 ZINC000177106666 655268763 /nfs/dbraw/zinc/26/87/63/655268763.db2.gz IQGWDBAGFMDNCO-UHFFFAOYSA-N 1 0 379.913 2.899 20 0 GFADRO Brc1cccc2c1cnn2CN1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000117864074 655268923 /nfs/dbraw/zinc/26/89/23/655268923.db2.gz WYTDLUXLOKBTPB-OAHLLOKOSA-N 1 0 393.329 2.801 20 0 GFADRO COC[C@@H](O)C[NH2+]Cc1cc(Br)ccc1OCc1ccccn1 ZINC000117946438 655270728 /nfs/dbraw/zinc/27/07/28/655270728.db2.gz GFADGCSELJNGNY-INIZCTEOSA-N 1 0 381.270 2.520 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C1CC1 ZINC000118103307 655271843 /nfs/dbraw/zinc/27/18/43/655271843.db2.gz XRYQQQYYLDUNLO-ZDUSSCGKSA-N 1 0 377.794 2.754 20 0 GFADRO C[C@@H](O)C[N@@H+]1CCN(C(=O)Nc2ccc(OC(F)F)c(Cl)c2)C[C@H]1C ZINC000177509338 655278355 /nfs/dbraw/zinc/27/83/55/655278355.db2.gz CJPMBVMRIRGHBY-GHMZBOCLSA-N 1 0 377.819 2.860 20 0 GFADRO C[C@H]([NH2+]C1CCN(Cc2ccccc2Br)CC1)c1ncnn1C ZINC000276611708 655280991 /nfs/dbraw/zinc/28/09/91/655280991.db2.gz LJIRZOIUXUESAT-ZDUSSCGKSA-N 1 0 378.318 2.893 20 0 GFADRO COc1ccc(Br)cc1CC(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000118972760 655285194 /nfs/dbraw/zinc/28/51/94/655285194.db2.gz UUXHXNAIFBSBJZ-CZUORRHYSA-N 1 0 381.314 2.943 20 0 GFADRO COc1ccc(Br)cc1CC(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000118972852 655285218 /nfs/dbraw/zinc/28/52/18/655285218.db2.gz UUXHXNAIFBSBJZ-CJNGLKHVSA-N 1 0 381.314 2.943 20 0 GFADRO C[C@@H](C(=O)Nc1ccc(Br)cc1)N1CC[NH+](C2CCOCC2)CC1 ZINC000177755884 655287506 /nfs/dbraw/zinc/28/75/06/655287506.db2.gz YJAPGYGRSYSKCU-AWEZNQCLSA-N 1 0 396.329 2.573 20 0 GFADRO CC1CC[NH+](CCNC(=O)N[C@H](CO)c2cccc(Br)c2)CC1 ZINC000177932600 655292249 /nfs/dbraw/zinc/29/22/49/655292249.db2.gz HJCWOHXVXMKSTR-MRXNPFEDSA-N 1 0 384.318 2.514 20 0 GFADRO CC1CC[NH+](CCNC(=O)N[C@@H](CO)c2cccc(Br)c2)CC1 ZINC000177932584 655292281 /nfs/dbraw/zinc/29/22/81/655292281.db2.gz HJCWOHXVXMKSTR-INIZCTEOSA-N 1 0 384.318 2.514 20 0 GFADRO C[C@H](C[NH+]1CCC(C(=O)Nc2ccc(F)c(Cl)c2)CC1)CS(C)(=O)=O ZINC000119188919 655292322 /nfs/dbraw/zinc/29/23/22/655292322.db2.gz WYFZVUPQJANSCP-GFCCVEGCSA-N 1 0 390.908 2.810 20 0 GFADRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)C(=O)Nc2cc(Br)ccc2F)C1 ZINC000178009904 655295372 /nfs/dbraw/zinc/29/53/72/655295372.db2.gz AFRSFFXPCMODFJ-NEPJUHHUSA-N 1 0 386.265 2.516 20 0 GFADRO CN1C(=O)C[C@H]([NH2+][C@@H]2CCC[C@@H](S(C)(=O)=O)C2)[C@H]1c1ccc(Cl)cc1 ZINC000276963298 655295438 /nfs/dbraw/zinc/29/54/38/655295438.db2.gz QHOQMNMLHLWDDZ-XLMAVXFVSA-N 1 0 384.929 2.557 20 0 GFADRO NC(=O)[C@H](c1cccc(Br)c1)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000119367761 655301034 /nfs/dbraw/zinc/30/10/34/655301034.db2.gz PIEFEKCTAJUFGP-OLMNPRSZSA-N 1 0 392.341 2.924 20 0 GFADRO Cc1csc(=O)n1CC[NH2+][C@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000277128201 655304693 /nfs/dbraw/zinc/30/46/93/655304693.db2.gz YHUGTGVQPDTAPW-HOCLYGCPSA-N 1 0 383.876 2.572 20 0 GFADRO CN(Cc1cc(Br)cs1)C(=O)CN1CCC[C@H]([NH+](C)C)CC1 ZINC000277138198 655304993 /nfs/dbraw/zinc/30/49/93/655304993.db2.gz IWMYTAWMXXCKQX-AWEZNQCLSA-N 1 0 388.375 2.885 20 0 GFADRO Cc1ccc(NC(=O)C(=O)N2CCC[C@@H]([NH+](C)C)CC2)cc1Br ZINC000277141474 655305172 /nfs/dbraw/zinc/30/51/72/655305172.db2.gz PSIFOZFBYRFCJO-CQSZACIVSA-N 1 0 382.302 2.639 20 0 GFADRO Cc1nn(Cc2cccc(Br)c2)c(C)c1C(=O)NCC[C@H](C)[NH3+] ZINC000178657575 655307179 /nfs/dbraw/zinc/30/71/79/655307179.db2.gz WBAIBUJUDHSPGC-NSHDSACASA-N 1 0 379.302 2.778 20 0 GFADRO C[C@H]([NH3+])CCNC(=O)c1nn(-c2cccc(Br)c2)c2c1CCCC2 ZINC000178665228 655307604 /nfs/dbraw/zinc/30/76/04/655307604.db2.gz HSVUNILPFPGQJO-LBPRGKRZSA-N 1 0 391.313 2.981 20 0 GFADRO C[C@@H]([NH2+]CCC(=O)N1CCN(C)CC1)[C@@H](C)Oc1ccc(Cl)cc1Cl ZINC000178671423 655307769 /nfs/dbraw/zinc/30/77/69/655307769.db2.gz BCZJCOYREYHBAJ-ZIAGYGMSSA-N 1 0 388.339 2.903 20 0 GFADRO CC(C)[N@H+](CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1)C1CCC1 ZINC000119750848 655313629 /nfs/dbraw/zinc/31/36/29/655313629.db2.gz WDQPYMXILBZNLR-UHFFFAOYSA-N 1 0 387.933 2.792 20 0 GFADRO C[C@@H](CS(=O)(=O)c1ccccc1)[NH2+]CC1(N2CCSCC2)CCCC1 ZINC000119952394 655322679 /nfs/dbraw/zinc/32/26/79/655322679.db2.gz YWEACCNMKNOHNT-KRWDZBQOSA-N 1 0 382.595 2.800 20 0 GFADRO CN(CC[C@@H]1CCCC[N@@H+]1C)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F ZINC000180350363 655325818 /nfs/dbraw/zinc/32/58/18/655325818.db2.gz DZLOVNMWEGGJDX-VIFPVBQESA-N 1 0 386.386 2.877 20 0 GFADRO CCC[C@@H](CC)[NH2+][C@@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000180452108 655326879 /nfs/dbraw/zinc/32/68/79/655326879.db2.gz MFPMAAUREQOMRR-DZGCQCFKSA-N 1 0 376.544 2.642 20 0 GFADRO CC(C)[C@@H](CSc1ccccc1)[NH2+]C1CCN(CCS(C)(=O)=O)CC1 ZINC000180512162 655327677 /nfs/dbraw/zinc/32/76/77/655327677.db2.gz STFKGTNPKGUGHI-LJQANCHMSA-N 1 0 384.611 2.902 20 0 GFADRO Cc1cc(N2C[C@@H](C(=O)NNc3cc[nH+]cc3)CC2=O)ccc1Br ZINC000180531800 655327875 /nfs/dbraw/zinc/32/78/75/655327875.db2.gz HKWMVMVPPOXDBO-LBPRGKRZSA-N 1 0 389.253 2.649 20 0 GFADRO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)N[C@H]1COc2cc(F)c(Br)cc21 ZINC000281798543 655337761 /nfs/dbraw/zinc/33/77/61/655337761.db2.gz FYTLRQOFZOIVMW-BMIGLBTASA-N 1 0 398.276 2.805 20 0 GFADRO O=C(Cc1cc(F)ccc1Br)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000120554093 655338965 /nfs/dbraw/zinc/33/89/65/655338965.db2.gz MAEWFHMJIIPFMA-UHFFFAOYSA-N 1 0 399.304 2.702 20 0 GFADRO O=C1[C@H](c2cccc(Br)c2)CCN1CN1CC[C@H]([NH+]2CCCC2)C1 ZINC000839988114 661122481 /nfs/dbraw/zinc/12/24/81/661122481.db2.gz UBLKOAVBPZZOOL-ROUUACIJSA-N 1 0 392.341 2.893 20 0 GFADRO COCC[N@H+]1[C@H](C)CN(C(=O)Nc2cnc(Br)c(C)c2)C[C@@H]1C ZINC000182412379 655343817 /nfs/dbraw/zinc/34/38/17/655343817.db2.gz WLLFQHLRBQZLQG-BETUJISGSA-N 1 0 385.306 2.725 20 0 GFADRO O=c1nc([C@@H]2CCC[N@@H+](Cc3ccc(Br)c4cccnc34)C2)[nH][nH]1 ZINC000289421707 655348749 /nfs/dbraw/zinc/34/87/49/655348749.db2.gz MVCGOIXOCMATOB-GFCCVEGCSA-N 1 0 388.269 2.788 20 0 GFADRO CC[N@H+](C)C[C@H]1CCN(CN2CC[C@H](c3cccc(Br)c3)C2=O)C1 ZINC000840017645 661124623 /nfs/dbraw/zinc/12/46/23/661124623.db2.gz ZHMWMACJVLYKPJ-CRAIPNDOSA-N 1 0 394.357 2.996 20 0 GFADRO CCC[N@@H+]1CC[C@H](CNc2cnn(-c3ccccn3)c(=O)c2Br)C1 ZINC000292751918 655354141 /nfs/dbraw/zinc/35/41/41/655354141.db2.gz KJCUORUALKMJDP-CYBMUJFWSA-N 1 0 392.301 2.534 20 0 GFADRO CCOc1cc(C[NH2+][C@H]2CCS(=O)(=O)[C@H]2C)cc(Br)c1OC ZINC000293774744 655361777 /nfs/dbraw/zinc/36/17/77/655361777.db2.gz BJPCKMUFPYTGGX-GWCFXTLKSA-N 1 0 392.315 2.522 20 0 GFADRO Cc1nccn1C[C@@H](C)CNC(=O)[C@@](C)([NH3+])c1ccc(Br)cc1 ZINC000293978586 655363682 /nfs/dbraw/zinc/36/36/82/655363682.db2.gz BNDYUKSJDCWEHX-SJCJKPOMSA-N 1 0 379.302 2.580 20 0 GFADRO C[C@@](O)(C[N@@H+]1CC[C@](C)(C(N)=O)C1)c1ccc(Br)cc1Cl ZINC000293992753 655364143 /nfs/dbraw/zinc/36/41/43/655364143.db2.gz FNGINLCPMDPPHB-LSDHHAIUSA-N 1 0 375.694 2.507 20 0 GFADRO C[C@@H]([NH2+]Cc1cccc(OCC(N)=O)c1)c1cc(Br)ccc1O ZINC000185577801 655365075 /nfs/dbraw/zinc/36/50/75/655365075.db2.gz PYYRCBGMMFGUEO-LLVKDONJSA-N 1 0 379.254 2.870 20 0 GFADRO CON(C)C(=O)[C@H](CCSC)[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000186118431 655367892 /nfs/dbraw/zinc/36/78/92/655367892.db2.gz QYLGHMXPRPZCTC-GWCFXTLKSA-N 1 0 391.331 2.947 20 0 GFADRO Cc1ccc(Br)nc1C(=O)N[C@@H](C)C1(N2CCOCC2)CCCC1 ZINC000187845507 655376835 /nfs/dbraw/zinc/37/68/35/655376835.db2.gz CDENENQTQRMQHO-AWEZNQCLSA-N 1 0 396.329 2.916 20 0 GFADRO O=[N+]([O-])c1ccc(C[NH2+]CC2CCN(S(=O)(=O)C(F)F)CC2)cc1Cl ZINC000187940297 655377331 /nfs/dbraw/zinc/37/73/31/655377331.db2.gz NSZXEKXYPXCIKB-UHFFFAOYSA-N 1 0 397.831 2.602 20 0 GFADRO C[C@@H](C[C@H]1CCCCCN1C(=O)OC(C)(C)C)[NH2+]CCCS(C)(=O)=O ZINC000301518686 655377803 /nfs/dbraw/zinc/37/78/03/655377803.db2.gz ZZUFTXWJBPJXQY-JKSUJKDBSA-N 1 0 376.563 2.969 20 0 GFADRO C[N@@H+]1CCC[C@@]2(CCN(Cn3c(=O)oc4cc(F)c(Br)cc43)C2)C1 ZINC000840086623 661130428 /nfs/dbraw/zinc/13/04/28/661130428.db2.gz NCVUBLRRFPSHFJ-QGZVFWFLSA-N 1 0 398.276 2.871 20 0 GFADRO Cc1nc(Cc2nn(CN3CC[C@]4(C3)CCC[N@@H+](C)C4)c(=S)o2)cs1 ZINC000840085122 661130517 /nfs/dbraw/zinc/13/05/17/661130517.db2.gz AHQNYDVKCIOGBV-QGZVFWFLSA-N 1 0 379.555 2.937 20 0 GFADRO Cn1ncc(Br)c1C[NH2+][C@](C)(CNC(=O)OC(C)(C)C)C1CC1 ZINC000309980284 655379029 /nfs/dbraw/zinc/37/90/29/655379029.db2.gz UOZVTYDSBXOQJS-MRXNPFEDSA-N 1 0 387.322 2.966 20 0 GFADRO CC(C)(C)OC(=O)NC[C@H]1CCC[C@@H]1[NH2+]CCn1cc(Br)cn1 ZINC000309891065 655379093 /nfs/dbraw/zinc/37/90/93/655379093.db2.gz MJGCUUDXMAZRTE-OCCSQVGLSA-N 1 0 387.322 2.929 20 0 GFADRO Cc1ccc(Br)nc1C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000188435296 655379793 /nfs/dbraw/zinc/37/97/93/655379793.db2.gz MQZRWNFTBFWYTJ-HUUCEWRRSA-N 1 0 396.329 2.650 20 0 GFADRO Cc1ccc(/C=C/C(=O)N2CC[NH+](CC(C)(C)O)CC2)c(Br)c1 ZINC000321960261 655382848 /nfs/dbraw/zinc/38/28/48/655382848.db2.gz FQTAQGPDQBKPDG-VOTSOKGWSA-N 1 0 381.314 2.686 20 0 GFADRO COc1cc(Br)ccc1C(=O)Nc1cnn(C2CC[NH2+]CC2)c1 ZINC000322730578 655383294 /nfs/dbraw/zinc/38/32/94/655383294.db2.gz UDJNUVZMICVIEX-UHFFFAOYSA-N 1 0 379.258 2.831 20 0 GFADRO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ncc1Br)C[NH+]1CCCCC1 ZINC000323544198 655383675 /nfs/dbraw/zinc/38/36/75/655383675.db2.gz QPJKSCIKMYLKGQ-NSHDSACASA-N 1 0 385.262 2.604 20 0 GFADRO CN1C(=O)N(C[C@H]2CC[N@@H+](C3CC3)C2)C(=O)[C@H]1c1cccc(Br)c1 ZINC000349215636 655388507 /nfs/dbraw/zinc/38/85/07/655388507.db2.gz GLGZWJDFMCKPCI-BLLLJJGKSA-N 1 0 392.297 2.869 20 0 GFADRO C[C@H](c1cccc(Br)c1)N1CC(=O)N(CC[N@H+](C)C2CC2)C1=O ZINC000349314451 655389290 /nfs/dbraw/zinc/38/92/90/655389290.db2.gz DPUMTFWAXQKDTM-GFCCVEGCSA-N 1 0 380.286 2.869 20 0 GFADRO C[C@@H](CN1C(=O)N[C@H](c2ccc(Br)cc2)C1=O)C[NH+]1CCCC1 ZINC000349362892 655389458 /nfs/dbraw/zinc/38/94/58/655389458.db2.gz KVOLZYZLWGWVQB-IUODEOHRSA-N 1 0 380.286 2.774 20 0 GFADRO CC[C@@H](C)[N@H+](C)CCN1C(=O)N[C@H](c2ccc(OC)c(Br)c2)C1=O ZINC000349409153 655390251 /nfs/dbraw/zinc/39/02/51/655390251.db2.gz XSWOURPOCLGTHT-IAQYHMDHSA-N 1 0 398.301 2.781 20 0 GFADRO O=C(C[NH2+][C@H]1c2ccccc2CC[C@@H]1CO)Nc1ccc(Br)cn1 ZINC000365226618 655392399 /nfs/dbraw/zinc/39/23/99/655392399.db2.gz XKCPEJMACUTPAC-FZKQIMNGSA-N 1 0 390.281 2.668 20 0 GFADRO CCN(CCC[NH+](CC)CC)S(=O)(=O)c1cc(C)c(F)c([N+](=O)[O-])c1 ZINC000190564254 655393266 /nfs/dbraw/zinc/39/32/66/655393266.db2.gz QYEBGIZZMDWSQT-UHFFFAOYSA-N 1 0 375.466 2.785 20 0 GFADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)Nc1cc(F)cc(F)c1Br ZINC000190647270 655393938 /nfs/dbraw/zinc/39/39/38/655393938.db2.gz IVNAXIGBQRFTIP-NSHDSACASA-N 1 0 392.244 2.960 20 0 GFADRO C[C@H](NCC(=O)N(C)Cc1ccc(Cl)c(Cl)c1)c1nnnn1C1CC1 ZINC000191500935 655399012 /nfs/dbraw/zinc/39/90/12/655399012.db2.gz BTDKEAYMOLCYRD-JTQLQIEISA-N 1 0 383.283 2.624 20 0 GFADRO Cn1nc(Br)cc1C(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000192188479 655403505 /nfs/dbraw/zinc/40/35/05/655403505.db2.gz HIBGASYSPPNKNC-UHFFFAOYSA-N 1 0 383.334 2.911 20 0 GFADRO C[C@H](NC(=O)NC(C)(C)COc1ncccc1Br)[C@@H]1CCC[NH2+]C1 ZINC000418338770 655405639 /nfs/dbraw/zinc/40/56/39/655405639.db2.gz JYXKDGOPFDYSMJ-QWHCGFSZSA-N 1 0 399.333 2.689 20 0 GFADRO C[C@@H](NC(=O)N1C[C@H](C)[N@H+](CCO)C[C@H]1C)c1ccc(Br)s1 ZINC000419496025 655406909 /nfs/dbraw/zinc/40/69/09/655406909.db2.gz SWSCJIRVQWSGLB-QJPTWQEYSA-N 1 0 390.347 2.668 20 0 GFADRO O=C(NCC[C@H]1CCC[NH2+]1)C(=O)N(Cc1cccs1)Cc1cccs1 ZINC000419937732 655407283 /nfs/dbraw/zinc/40/72/83/655407283.db2.gz OBLRSKJGUWZXFL-CQSZACIVSA-N 1 0 377.535 2.597 20 0 GFADRO C[N@H+](CCN1CCOC(C)(C)C1)C[C@H](O)COc1cc(Cl)ccc1Cl ZINC000434701447 655408949 /nfs/dbraw/zinc/40/89/49/655408949.db2.gz FDHCGEPEGUNDCV-HNNXBMFYSA-N 1 0 391.339 2.776 20 0 GFADRO [NH3+]C[C@H]1CCN(S(=O)(=O)c2ccc(Br)c(Cl)c2Cl)C1 ZINC000193252700 655409047 /nfs/dbraw/zinc/40/90/47/655409047.db2.gz DVZLXRMDBVXPLM-SSDOTTSWSA-N 1 0 388.114 2.725 20 0 GFADRO CCNC(=O)C(C)(C)[NH2+]Cc1cn(-c2ccc(Br)cc2)nc1C ZINC000453599820 655411808 /nfs/dbraw/zinc/41/18/08/655411808.db2.gz CPQBWONVLJQUTB-UHFFFAOYSA-N 1 0 379.302 2.948 20 0 GFADRO COc1ccc(Br)c(C(=O)NCCC[NH2+]C[C@H]2CCC=CO2)c1 ZINC000194378538 655415455 /nfs/dbraw/zinc/41/54/55/655415455.db2.gz ZXWSTDQVSHXQJO-CQSZACIVSA-N 1 0 383.286 2.860 20 0 GFADRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)c3ccc(-n4cc(Br)cn4)cc3)C[C@@H]21 ZINC000517922070 655419201 /nfs/dbraw/zinc/41/92/01/655419201.db2.gz DTJKZWAFDWPTBZ-RRQGHBQHSA-N 1 0 389.297 2.834 20 0 GFADRO C[C@H](CS(C)(=O)=O)[NH2+]Cc1cc(Br)c(Br)s1 ZINC000227835835 655422939 /nfs/dbraw/zinc/42/29/39/655422939.db2.gz KFJSUZANERMQLX-ZCFIWIBFSA-N 1 0 391.150 2.796 20 0 GFADRO O=C(Nc1cccc(C(=O)OC[C@@H]2CCC[NH2+]2)c1)c1cc(Br)c[nH]1 ZINC000236644445 655424774 /nfs/dbraw/zinc/42/47/74/655424774.db2.gz FPVBRXJHVWKYEB-AWEZNQCLSA-N 1 0 392.253 2.938 20 0 GFADRO CC(C)C[C@@](C)(C[NH3+])NC(=O)[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000236685671 655424803 /nfs/dbraw/zinc/42/48/03/655424803.db2.gz MJOAEHGTKADVSR-YJBOKZPZSA-N 1 0 396.329 2.682 20 0 GFADRO C[C@H](C[N@@H+]1CCC[C@H](CS(N)(=O)=O)C1)c1cccc(Br)c1 ZINC000574183178 655425996 /nfs/dbraw/zinc/42/59/96/655425996.db2.gz RJMCUFJAIFTBIR-OLZOCXBDSA-N 1 0 375.332 2.553 20 0 GFADRO [NH3+]CCCCCC(=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000237957790 655426850 /nfs/dbraw/zinc/42/68/50/655426850.db2.gz UDPGSVPHCKIYTP-UHFFFAOYSA-N 1 0 378.826 2.922 20 0 GFADRO C[C@@]1(n2cc(C[NH2+][C@@H]3CCc4sc(Cl)cc43)cn2)CCS(=O)(=O)C1 ZINC000574242217 655427004 /nfs/dbraw/zinc/42/70/04/655427004.db2.gz AVYMJRKXFMNOTF-CZUORRHYSA-N 1 0 385.942 2.909 20 0 GFADRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2Cn2nc(Br)c(=O)c3ccccc32)C1 ZINC000245746071 655428500 /nfs/dbraw/zinc/42/85/00/655428500.db2.gz WLABRAFIFFDADZ-DZGCQCFKSA-N 1 0 391.313 2.533 20 0 GFADRO COC(=O)CC[N@@H+]1CCN(C[C@@H](O)c2ccc(Cl)cc2Cl)[C@@H](C)C1 ZINC000245845842 655428550 /nfs/dbraw/zinc/42/85/50/655428550.db2.gz DSWPEHKTULCHGR-BLLLJJGKSA-N 1 0 375.296 2.596 20 0 GFADRO CO[C@@H]1CCCN(CN2C(=O)C[C@@](C)(c3ccc(Br)cc3)C2=O)C1 ZINC000246122219 655429176 /nfs/dbraw/zinc/42/91/76/655429176.db2.gz NQLCQSAFOBRIRQ-QAPCUYQASA-N 1 0 395.297 2.534 20 0 GFADRO O=C(N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO)c1cc(Cl)c(Cl)[nH]1 ZINC000246702090 655430407 /nfs/dbraw/zinc/43/04/07/655430407.db2.gz NJFPUQVEXUUBOU-BBRMVZONSA-N 1 0 382.291 2.934 20 0 GFADRO O[C@@H](C[N@@H+]1CCCC[C@H]1CN1CCOCC1)c1ccccc1Br ZINC000246949367 655430870 /nfs/dbraw/zinc/43/08/70/655430870.db2.gz ZPFSUJBLDJAACM-YJBOKZPZSA-N 1 0 383.330 2.669 20 0 GFADRO C[N@@H+]1C[C@@H]2CCCN(C(=O)C[C@H]3Sc4ccc(Cl)cc4NC3=O)[C@@H]2C1 ZINC000574806310 655431013 /nfs/dbraw/zinc/43/10/13/655431013.db2.gz YXKDKQNKXPZPHJ-SGIREYDYSA-N 1 0 379.913 2.696 20 0 GFADRO CC(C)Oc1cc(Br)cc(C(=O)N[C@@H](CO)C[NH+]2CCCCC2)c1 ZINC000574844530 655431967 /nfs/dbraw/zinc/43/19/67/655431967.db2.gz LWMXEQWZPXFDIA-MRXNPFEDSA-N 1 0 399.329 2.813 20 0 GFADRO COC(=O)CC[N@H+](CCCN1CCCC1=O)Cc1cccc(Br)c1 ZINC000574857958 655432142 /nfs/dbraw/zinc/43/21/42/655432142.db2.gz RSRLTIJYEMHSOF-UHFFFAOYSA-N 1 0 397.313 2.827 20 0 GFADRO C[C@H]([NH2+]C[C@@H](O)CN1C[C@@H](C)O[C@@H](C)C1)c1ccc(Br)s1 ZINC000574896371 655433038 /nfs/dbraw/zinc/43/30/38/655433038.db2.gz NTWWTBXGKLOYFY-QNWHQSFQSA-N 1 0 377.348 2.631 20 0 GFADRO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000249453787 655434207 /nfs/dbraw/zinc/43/42/07/655434207.db2.gz GDWMZLKKYYFDFZ-KCQAQPDRSA-N 1 0 390.933 2.550 20 0 GFADRO CCN(C)C[C@H](O)C[N@H+](Cc1cccc(Br)c1)C1CCOCC1 ZINC000575812556 655437820 /nfs/dbraw/zinc/43/78/20/655437820.db2.gz NJFQHYNEGWYQAQ-SFHVURJKSA-N 1 0 385.346 2.743 20 0 GFADRO O=C(/C=C\c1ccc(Cl)s1)N1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000255265625 655437908 /nfs/dbraw/zinc/43/79/08/655437908.db2.gz FPVZVEIWZSSKRB-HAANDJBQSA-N 1 0 381.929 2.522 20 0 GFADRO COCCN(CC[NH+](C)C)Cc1c(F)ccc(I)c1F ZINC000575837745 655438212 /nfs/dbraw/zinc/43/82/12/655438212.db2.gz MQOQQTLQEXHCDK-UHFFFAOYSA-N 1 0 398.235 2.579 20 0 GFADRO COC[C@H](C)OC[C@H](O)C[NH2+][C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1 ZINC000575862520 655438704 /nfs/dbraw/zinc/43/87/04/655438704.db2.gz AQQSJKARMHMMIQ-KCQAQPDRSA-N 1 0 377.312 2.574 20 0 GFADRO C[NH2+][C@H](CC(C)(C)C)C(=O)NCCC(=O)Nc1ccc(Br)cc1 ZINC000575864261 655438761 /nfs/dbraw/zinc/43/87/61/655438761.db2.gz DUKOYHCARXJMDT-CQSZACIVSA-N 1 0 384.318 2.918 20 0 GFADRO CCCN(CCC[NH+](C)C)C(=O)C(=O)NCc1cccc(Br)c1C ZINC000575935086 655440412 /nfs/dbraw/zinc/44/04/12/655440412.db2.gz DWPHCKIGGCUYGO-UHFFFAOYSA-N 1 0 398.345 2.564 20 0 GFADRO C[C@@H]1c2cc(Cl)cc(Cl)c2CCN1C(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000575985923 655441499 /nfs/dbraw/zinc/44/14/99/655441499.db2.gz FTTJLSQBTGRDCM-BZNIZROVSA-N 1 0 384.307 2.697 20 0 GFADRO [NH3+]C[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1c(Cl)cccc1Br ZINC000261672264 655441753 /nfs/dbraw/zinc/44/17/53/655441753.db2.gz FXRWIJJTWKBHGA-CABZTGNLSA-N 1 0 381.723 2.898 20 0 GFADRO C[C@@]([NH3+])(C(=O)N[C@@H]1COc2ccccc2C1)c1ccc(Br)cc1 ZINC000261801583 655442508 /nfs/dbraw/zinc/44/25/08/655442508.db2.gz RADZQKVOUWYPGM-YJBOKZPZSA-N 1 0 375.266 2.743 20 0 GFADRO [NH3+]CCN(CCc1ccccc1)C(=O)c1cc2c(c(Br)c1)OCO2 ZINC000261839844 655442664 /nfs/dbraw/zinc/44/26/64/655442664.db2.gz ZZGFLEFSBVDWOF-UHFFFAOYSA-N 1 0 391.265 2.821 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(Cc3nnc(C(=O)Nc4ccc(Cl)cc4)s3)C[C@@H]21 ZINC000576078408 655442743 /nfs/dbraw/zinc/44/27/43/655442743.db2.gz UDNBIENMUHLMSA-RISCZKNCSA-N 1 0 377.901 2.580 20 0 GFADRO CCC[N@H+](CC)C[C@H](C)NS(=O)(=O)c1cc2c(cc1Cl)CCC(=O)N2 ZINC000576097367 655443165 /nfs/dbraw/zinc/44/31/65/655443165.db2.gz QJXMHLCVPSJJDJ-LBPRGKRZSA-N 1 0 387.933 2.623 20 0 GFADRO [NH3+]CCC(=O)NC[C@@H]1CCCCN1Cc1ccc(Cl)cc1Br ZINC000261964595 655443204 /nfs/dbraw/zinc/44/32/04/655443204.db2.gz HQSUIZKIMUJPGB-AWEZNQCLSA-N 1 0 388.737 2.922 20 0 GFADRO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000261987910 655443413 /nfs/dbraw/zinc/44/34/13/655443413.db2.gz MPGGOKNCVJKIQW-QGZVFWFLSA-N 1 0 379.254 2.675 20 0 GFADRO COCC1(CNS(=O)(=O)c2ccc(SC(F)(F)F)cc2)CC[NH2+]CC1 ZINC000262048319 655443683 /nfs/dbraw/zinc/44/36/83/655443683.db2.gz PYGSCBAQKUNWJP-UHFFFAOYSA-N 1 0 398.472 2.593 20 0 GFADRO O=C(NCC1CC[NH2+]CC1)C(=O)Nc1ccc(Br)c2ccccc12 ZINC000576328412 655445641 /nfs/dbraw/zinc/44/56/41/655445641.db2.gz NEILZDNDNRSJOW-UHFFFAOYSA-N 1 0 390.281 2.657 20 0 GFADRO Cc1ccc([C@H]([NH3+])C(=O)NC[C@H](O)COc2cccc(Cl)c2Cl)cc1 ZINC000262626362 655446381 /nfs/dbraw/zinc/44/63/81/655446381.db2.gz GAIYKZONKNBNFA-GUYCJALGSA-N 1 0 383.275 2.858 20 0 GFADRO C[C@@H](NS(=O)(=O)c1cc(Br)c(Cl)cc1Cl)[C@H](C)[NH3+] ZINC000576465228 655447902 /nfs/dbraw/zinc/44/79/02/655447902.db2.gz YZYPPEFQHMOWGX-NTSWFWBYSA-N 1 0 376.103 2.770 20 0 GFADRO O=S(=O)(c1cc(Cl)cc(C(F)(F)F)c1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000576583819 655449435 /nfs/dbraw/zinc/44/94/35/655449435.db2.gz HRAJAOPUEUZZHR-PHIMTYICSA-N 1 0 382.835 2.979 20 0 GFADRO C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CCSc3ccc(Cl)cc32)C1 ZINC000576894477 655454074 /nfs/dbraw/zinc/45/40/74/655454074.db2.gz NKUNVKTXVICCDT-UKRRQHHQSA-N 1 0 381.929 2.546 20 0 GFADRO COc1cc(NC(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)cc(OC)c1Br ZINC000576925385 655454779 /nfs/dbraw/zinc/45/47/79/655454779.db2.gz TZYHCMOPXMQQKL-MNOVXSKESA-N 1 0 384.274 2.540 20 0 GFADRO O=C(NCC1(c2ccc(Cl)cc2Cl)CCOCC1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000576927325 655454953 /nfs/dbraw/zinc/45/49/53/655454953.db2.gz SEYXLEVWCFXJSR-VIKVFOODSA-N 1 0 384.307 2.559 20 0 GFADRO Cc1ccccc1OC[C@H](O)C[NH2+]CCCCn1cc(Br)cn1 ZINC000576979358 655455801 /nfs/dbraw/zinc/45/58/01/655455801.db2.gz FRZNGSFOFYPRAL-MRXNPFEDSA-N 1 0 382.302 2.764 20 0 GFADRO [NH3+]C[C@@H]1CC[C@@H](NS(=O)(=O)Cc2cc(Cl)ccc2Br)C1 ZINC000577373421 655458027 /nfs/dbraw/zinc/45/80/27/655458027.db2.gz QRGCFOAVDRFKKY-BXKDBHETSA-N 1 0 381.723 2.649 20 0 GFADRO O=C(NCC1CC1)[C@@H]1CCC[N@@H+](C[C@@H](O)c2ccc(Br)cc2)C1 ZINC000264231313 655459457 /nfs/dbraw/zinc/45/94/57/655459457.db2.gz RNPHJQJLTHFBNO-NVXWUHKLSA-N 1 0 381.314 2.721 20 0 GFADRO O=C(Cc1ccccc1Br)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000264270542 655460072 /nfs/dbraw/zinc/46/00/72/655460072.db2.gz RROYWHVFUGHAPH-UHFFFAOYSA-N 1 0 381.314 2.562 20 0 GFADRO O=C(NCCOc1ccc(Br)cc1)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000577475138 655460486 /nfs/dbraw/zinc/46/04/86/655460486.db2.gz YKSPHUWTCNRYCP-JKSUJKDBSA-N 1 0 382.302 2.515 20 0 GFADRO C[NH+](C)[C@H](CNc1ccc(S(N)(=O)=O)cc1C(F)(F)F)c1ccco1 ZINC000264357868 655461763 /nfs/dbraw/zinc/46/17/63/655461763.db2.gz RJVYCXVEXCAFNG-CYBMUJFWSA-N 1 0 377.388 2.661 20 0 GFADRO CS(=O)(=O)c1cc(NC(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)ccc1Cl ZINC000577590659 655462738 /nfs/dbraw/zinc/46/27/38/655462738.db2.gz QOSOSNZDUHBUSL-STQMWFEESA-N 1 0 385.917 2.597 20 0 GFADRO CC1(C)CN(C(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)CC[NH2+]1 ZINC000577620694 655463103 /nfs/dbraw/zinc/46/31/03/655463103.db2.gz HQZDQNVASBPVJZ-HNNXBMFYSA-N 1 0 384.307 2.808 20 0 GFADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)c1csc(-c2ccccc2Cl)n1 ZINC000264444935 655463815 /nfs/dbraw/zinc/46/38/15/655463815.db2.gz OOLYFZQLFMJFSU-CYBMUJFWSA-N 1 0 378.929 2.829 20 0 GFADRO CC[C@H](C(=O)N(CCc1ccc(Cl)cc1)C[C@@H](O)C(F)(F)F)[NH+](C)C ZINC000577670040 655464326 /nfs/dbraw/zinc/46/43/26/655464326.db2.gz XBOKIHSXHWQOHJ-HUUCEWRRSA-N 1 0 380.838 2.975 20 0 GFADRO O=C(C[C@@H]1C[NH2+]CCO1)N1CCCC[C@H]1Cc1cccc(Br)c1 ZINC000577749801 655466416 /nfs/dbraw/zinc/46/64/16/655466416.db2.gz UMOYHLLKCSOVTP-DLBZAZTESA-N 1 0 381.314 2.751 20 0 GFADRO CC(C)C[C@H](C[NH3+])NS(=O)(=O)Cc1ccc(Cl)cc1Br ZINC000577849089 655468524 /nfs/dbraw/zinc/46/85/24/655468524.db2.gz WIZDUIHBICMIFL-GFCCVEGCSA-N 1 0 383.739 2.895 20 0 GFADRO C[N@H+](CCN1CCOCC1)Cc1cc(Br)cc(Br)c1 ZINC000577849423 655468556 /nfs/dbraw/zinc/46/85/56/655468556.db2.gz NVTZYEUAMUSTOS-UHFFFAOYSA-N 1 0 392.135 2.976 20 0 GFADRO Cc1nnc(CCNC(=O)NC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)s1 ZINC000577925911 655469482 /nfs/dbraw/zinc/46/94/82/655469482.db2.gz LRYOIGYEIVWYBE-CZUORRHYSA-N 1 0 379.555 2.833 20 0 GFADRO CCc1ccccc1[C@H]([NH3+])CNC(=O)Nc1ccnc(C)c1Br ZINC000577940788 655469831 /nfs/dbraw/zinc/46/98/31/655469831.db2.gz WTNAPJLIYOIUTB-CQSZACIVSA-N 1 0 377.286 2.958 20 0 GFADRO C[C@@H]1CC[N@H+](CC(=O)NC2(c3cccc(Br)c3)CCOCC2)C1 ZINC000577960988 655470376 /nfs/dbraw/zinc/47/03/76/655470376.db2.gz GHJZDOOESWAJAQ-CQSZACIVSA-N 1 0 381.314 2.913 20 0 GFADRO OC[C@@H](C[NH2+]C[C@@H](O)COc1cccc(Br)c1)c1ccc(F)cc1 ZINC000578013116 655471231 /nfs/dbraw/zinc/47/12/31/655471231.db2.gz CVLPCCQWEXWJTR-RHSMWYFYSA-N 1 0 398.272 2.694 20 0 GFADRO Cc1ccc(S(=O)(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)c(Br)c1 ZINC000578120256 655472930 /nfs/dbraw/zinc/47/29/30/655472930.db2.gz BUSQYVHNAOBSAS-MRXNPFEDSA-N 1 0 387.343 2.864 20 0 GFADRO O=C(NCCC[C@@H]1CCC[NH2+]1)[C@H]1CSCN1C(=O)c1ccc(Cl)cc1 ZINC000578126960 655473047 /nfs/dbraw/zinc/47/30/47/655473047.db2.gz JTOSGBNQYYPBKP-JKSUJKDBSA-N 1 0 381.929 2.504 20 0 GFADRO OC[C@@H](C[NH2+]C[C@H](O)Cc1ccccc1)Cc1cccc(Br)c1 ZINC000578358887 655477184 /nfs/dbraw/zinc/47/71/84/655477184.db2.gz MHEWOWLPSHRRAH-IEBWSBKVSA-N 1 0 378.310 2.793 20 0 GFADRO CCOCCC[N@@H+]1CC[C@@H](NS(=O)(=O)Cc2ccccc2Cl)[C@@H](C)C1 ZINC000265251216 655479701 /nfs/dbraw/zinc/47/97/01/655479701.db2.gz WHPGJOOVVWWMBO-MAUKXSAKSA-N 1 0 388.961 2.896 20 0 GFADRO COC(=O)c1c(Cl)cccc1S(=O)(=O)N(CCC[NH3+])CC1CCCC1 ZINC000578506540 655480737 /nfs/dbraw/zinc/48/07/37/655480737.db2.gz NZXHQHRBVCVKGE-UHFFFAOYSA-N 1 0 388.917 2.656 20 0 GFADRO C[NH2+][C@@H](C)C(=O)N1CCC[C@@H]1c1nc(Cc2ccc(Br)cc2)no1 ZINC000578549252 655481591 /nfs/dbraw/zinc/48/15/91/655481591.db2.gz FZFROZDITJVHBM-SMDDNHRTSA-N 1 0 393.285 2.694 20 0 GFADRO O=C(NCC[C@H]1CCC[NH2+]C1)Nc1cc(Br)cnc1-n1cccn1 ZINC000578606934 655482698 /nfs/dbraw/zinc/48/26/98/655482698.db2.gz OSWQGHGBHIWFLS-GFCCVEGCSA-N 1 0 393.289 2.541 20 0 GFADRO CC[N@H+](CCNC(=O)C(=O)Nc1cccc(C2SCCS2)c1)C1CC1 ZINC000265398245 655482845 /nfs/dbraw/zinc/48/28/45/655482845.db2.gz RQMRWLNWCNHXQW-UHFFFAOYSA-N 1 0 379.551 2.704 20 0 GFADRO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1cccc(C2SCCS2)c1 ZINC000265411538 655483021 /nfs/dbraw/zinc/48/30/21/655483021.db2.gz XKOARHSRGGZRNA-CYBMUJFWSA-N 1 0 381.567 2.950 20 0 GFADRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)N(C)Cc1cc(Cl)cc(Cl)c1 ZINC000578678017 655484536 /nfs/dbraw/zinc/48/45/36/655484536.db2.gz YKGGYVQZRCCVDM-MEDUHNTESA-N 1 0 384.307 2.551 20 0 GFADRO O=C(CCOC1C[NH2+]C1)N1CCCC[C@H]1Cc1cccc(Br)c1 ZINC000578740423 655486048 /nfs/dbraw/zinc/48/60/48/655486048.db2.gz GMYOREAMJZYWFQ-INIZCTEOSA-N 1 0 381.314 2.751 20 0 GFADRO C[C@@H](CC[NH+](C)C)NC(=O)c1nn(-c2ccc(F)cc2)cc1Br ZINC000265611413 655487155 /nfs/dbraw/zinc/48/71/55/655487155.db2.gz XEFMBRKKETZIBW-NSHDSACASA-N 1 0 383.265 2.844 20 0 GFADRO CCC[N@@H+]1CC[C@@H](CNC(=O)NCc2nc3c(cccc3Br)[nH]2)C1 ZINC000578958078 655490062 /nfs/dbraw/zinc/49/00/62/655490062.db2.gz OWJIFJJXGMKUIS-LBPRGKRZSA-N 1 0 394.317 2.857 20 0 GFADRO Cc1ccccc1[C@H]([NH3+])C(=O)NC[C@@H](O)COc1cccc(Cl)c1Cl ZINC000579000970 655491367 /nfs/dbraw/zinc/49/13/67/655491367.db2.gz CPRUSOLJTCWCBZ-PXAZEXFGSA-N 1 0 383.275 2.858 20 0 GFADRO C[NH+]1CCC(O)(CNC(=O)Nc2ccc(Br)cc2Cl)CC1 ZINC000265974194 655494296 /nfs/dbraw/zinc/49/42/96/655494296.db2.gz XRCZQPPUBLHCFT-UHFFFAOYSA-N 1 0 376.682 2.681 20 0 GFADRO O=C(NC[C@@H]1CCN(c2ccc(Br)cc2)C1)[C@H]1CCCCC[NH2+]1 ZINC000579714362 655502894 /nfs/dbraw/zinc/50/28/94/655502894.db2.gz SAKPDGJHWPZEPH-WMLDXEAASA-N 1 0 380.330 2.924 20 0 GFADRO C[C@H](NC(=O)C(=O)N1CC[C@]2(C1)CCC[NH2+]C2)c1cccc(Cl)c1Cl ZINC000579935863 655505777 /nfs/dbraw/zinc/50/57/77/655505777.db2.gz OFGPVCGZAGEUPR-KPZWWZAWSA-N 1 0 384.307 2.773 20 0 GFADRO C[C@]1(NC(=O)Nc2cc(Cl)ccc2I)CC[NH2+]C1 ZINC000596125321 655513974 /nfs/dbraw/zinc/51/39/74/655513974.db2.gz NVLPKSWMBUCDIX-LBPRGKRZSA-N 1 0 379.629 2.818 20 0 GFADRO O=C(c1ccc(F)cc1I)N1CCC([NH+]2CCC2)CC1 ZINC000700420144 655521495 /nfs/dbraw/zinc/52/14/95/655521495.db2.gz UNHNRPROXUNUQY-UHFFFAOYSA-N 1 0 388.224 2.741 20 0 GFADRO CN(CCOCC[NH2+]Cc1cncc(Br)c1)C(=O)OC(C)(C)C ZINC000705943413 655522142 /nfs/dbraw/zinc/52/21/42/655522142.db2.gz BTPHZUUJWVGKMI-UHFFFAOYSA-N 1 0 388.306 2.817 20 0 GFADRO Cn1cc(CNC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)c(Br)n1 ZINC000712476709 655522693 /nfs/dbraw/zinc/52/26/93/655522693.db2.gz WMEJMVHVNBKBGT-QGZVFWFLSA-N 1 0 393.329 2.563 20 0 GFADRO [NH3+][C@H]1C[C@H](CNS(=O)(=O)c2c(Cl)cc(Br)cc2Cl)C1 ZINC000715131425 655522913 /nfs/dbraw/zinc/52/29/13/655522913.db2.gz FZVRKYAIWOFMOI-FKQCQYRASA-N 1 0 388.114 2.772 20 0 GFADRO O=C(c1cccc(F)c1I)N1CCC([NH+]2CCC2)CC1 ZINC000721698224 655525109 /nfs/dbraw/zinc/52/51/09/655525109.db2.gz KERGDBHMYLUEIP-UHFFFAOYSA-N 1 0 388.224 2.741 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)[C@H]1CSCN1C(=O)OC(C)(C)C)c1cccs1 ZINC000727116331 655542184 /nfs/dbraw/zinc/54/21/84/655542184.db2.gz UXNWDRDXWFHLIV-CHWSQXEVSA-N 1 0 385.555 2.777 20 0 GFADRO FC(F)(F)COCCC[NH+]1CCN(C(=S)NCCc2cccs2)CC1 ZINC000727699300 655548829 /nfs/dbraw/zinc/54/88/29/655548829.db2.gz PTPPODMHEBTNBB-UHFFFAOYSA-N 1 0 395.516 2.752 20 0 GFADRO CC1CC[NH+](CCCCNS(=O)(=O)c2c(Cl)nc3sccn32)CC1 ZINC000728580938 655556870 /nfs/dbraw/zinc/55/68/70/655556870.db2.gz BNOHMPGKNFKOFN-UHFFFAOYSA-N 1 0 390.962 2.840 20 0 GFADRO O=C(NCc1nc2cc(Cl)ccc2s1)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000729498882 655565509 /nfs/dbraw/zinc/56/55/09/655565509.db2.gz ZJWWRQCGNKRALU-OLZOCXBDSA-N 1 0 380.901 2.612 20 0 GFADRO CN(Cc1cc(Br)cs1)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000729503379 655565525 /nfs/dbraw/zinc/56/55/25/655565525.db2.gz DSJGDDQQLGVXBV-CHWSQXEVSA-N 1 0 388.331 2.515 20 0 GFADRO CC[NH+](CC)CCN(CCOC)C(=O)c1sc(N2CCCC2)nc1Cl ZINC000729660231 655566437 /nfs/dbraw/zinc/56/64/37/655566437.db2.gz UYQQWEMDHHPCLS-UHFFFAOYSA-N 1 0 388.965 2.827 20 0 GFADRO COCC[N@@H+]1CCC[C@H](NC(=O)c2cc3c(cccc3Br)[nH]2)C1 ZINC000729979738 655570643 /nfs/dbraw/zinc/57/06/43/655570643.db2.gz IADFUYRKCCHWQC-LBPRGKRZSA-N 1 0 380.286 2.771 20 0 GFADRO CCCCCC[N@H+](C)CC(=O)N(C)CC(=O)Nc1ccc(Br)cn1 ZINC000732283882 655594499 /nfs/dbraw/zinc/59/44/99/655594499.db2.gz FKLFEBGGNAFVKX-UHFFFAOYSA-N 1 0 399.333 2.753 20 0 GFADRO CC(C)[C@@H](C[NH+](C)C)NC(=O)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000733169109 655608690 /nfs/dbraw/zinc/60/86/90/655608690.db2.gz ZORWLLYKJPFFBX-CZUORRHYSA-N 1 0 396.329 2.504 20 0 GFADRO O=C(Cc1ccc(Cl)cc1Br)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000733256072 655610862 /nfs/dbraw/zinc/61/08/62/655610862.db2.gz BBGQEPFWJXRRSE-UONOGXRCSA-N 1 0 387.705 2.624 20 0 GFADRO O=C(Nc1cc2c(cc1Br)OCCO2)N1CC[NH+](C2CCC2)CC1 ZINC000733617179 655618600 /nfs/dbraw/zinc/61/86/00/655618600.db2.gz UXERWCLBIVEKRW-UHFFFAOYSA-N 1 0 396.285 2.922 20 0 GFADRO O=C(Cc1ccc(Br)s1)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000733975079 655624824 /nfs/dbraw/zinc/62/48/24/655624824.db2.gz HHQIUHGBWSDRRA-CYBMUJFWSA-N 1 0 387.343 2.813 20 0 GFADRO O=S(=O)(NC1CC[NH+](C[C@@H]2CCCO2)CC1)c1cc(Cl)sc1Cl ZINC000734243470 655628534 /nfs/dbraw/zinc/62/85/34/655628534.db2.gz JTQWSBNRDREJIQ-NSHDSACASA-N 1 0 399.365 2.977 20 0 GFADRO COC[C@H](NC(=S)NC1CC[NH+](C)CC1)c1cccc(C(F)(F)F)c1 ZINC000735627641 655650242 /nfs/dbraw/zinc/65/02/42/655650242.db2.gz XXKBOVJSBKECDE-HNNXBMFYSA-N 1 0 375.460 2.951 20 0 GFADRO O=c1oc2cc(Br)ccc2n1CN1CCC[C@H]1C[NH+]1CCCC1 ZINC000738103167 655685503 /nfs/dbraw/zinc/68/55/03/655685503.db2.gz BNKOLLVVXKDMII-AWEZNQCLSA-N 1 0 380.286 2.875 20 0 GFADRO C[NH+](C)CCCOc1ccc(CNS(=O)(=O)c2cccnc2Cl)cc1 ZINC000738375298 655690422 /nfs/dbraw/zinc/69/04/22/655690422.db2.gz YPSIHGZVICTMOG-UHFFFAOYSA-N 1 0 383.901 2.544 20 0 GFADRO CN(CCCC[NH+](C)C)C(=O)/C=C\c1ccc(I)o1 ZINC000742178358 655711097 /nfs/dbraw/zinc/71/10/97/655711097.db2.gz HVZBYPOIFQGVTM-CLFYSBASSA-N 1 0 376.238 2.698 20 0 GFADRO C[C@@H]1CCC[N@@H+]1CCNC(=O)c1ccn(-c2cccc(Br)c2)n1 ZINC000742238695 655712876 /nfs/dbraw/zinc/71/28/76/655712876.db2.gz AAXMSCSTKQCFGQ-CYBMUJFWSA-N 1 0 377.286 2.849 20 0 GFADRO CCS(=O)(=O)CC[NH2+]C[C@@H](c1ccccc1)N1CCc2sccc2C1 ZINC000743260784 655727504 /nfs/dbraw/zinc/72/75/04/655727504.db2.gz JEVIJQQCXGNOCW-SFHVURJKSA-N 1 0 378.563 2.872 20 0 GFADRO C[C@H](CNC(=O)C(=O)Nc1ccc(Br)c(F)c1)[NH+]1CCCCC1 ZINC000743894878 655732599 /nfs/dbraw/zinc/73/25/99/655732599.db2.gz CIPUFSNSACKDIF-LLVKDONJSA-N 1 0 386.265 2.517 20 0 GFADRO C[C@H]1CCC[N@@H+]1CCNC(=O)C(=O)Nc1ccc(C(F)(F)F)cc1Cl ZINC000743980338 655733367 /nfs/dbraw/zinc/73/33/67/655733367.db2.gz YZZQKJYLWVKROJ-JTQLQIEISA-N 1 0 377.794 2.898 20 0 GFADRO C[N@H+](CC1CC1)C[C@@H]1CCN(S(=O)(=O)c2cnc(Cl)c(Cl)c2)C1 ZINC000746053422 655757947 /nfs/dbraw/zinc/75/79/47/655757947.db2.gz KJRZINHIRBVOPS-LBPRGKRZSA-N 1 0 378.325 2.741 20 0 GFADRO CC[NH+](CC)CCO[C@@H]1CCN(C[C@@H](O)c2cccc(Br)c2)C1 ZINC000746676411 655766409 /nfs/dbraw/zinc/76/64/09/655766409.db2.gz UVRLHZMAYXVRSY-QZTJIDSGSA-N 1 0 385.346 2.915 20 0 GFADRO O[C@@H](CN1CCc2[nH]c3ccc(Br)cc3c2C1)C[NH+]1CCCC1 ZINC000749283889 655802439 /nfs/dbraw/zinc/80/24/39/655802439.db2.gz ITSAKBOZOBEMLJ-CQSZACIVSA-N 1 0 378.314 2.745 20 0 GFADRO CC[NH+](CC)C[C@@H]1CCN(Cn2c3cc(Br)ccc3oc2=O)C1 ZINC000749961151 655809643 /nfs/dbraw/zinc/80/96/43/655809643.db2.gz PYQGZKGKKFZHAF-ZDUSSCGKSA-N 1 0 382.302 2.978 20 0 GFADRO C[C@H]([NH2+]CC(C)(C)[C@H]1COCC12OCCO2)c1ccc(Br)cn1 ZINC000840798471 661188980 /nfs/dbraw/zinc/18/89/80/661188980.db2.gz OQAHMTKLYQIPRK-SWLSCSKDSA-N 1 0 385.302 2.910 20 0 GFADRO C[C@@H]([NH2+]CC(C)(C)[C@@H]1COCC12OCCO2)c1ccc(Br)cn1 ZINC000840798466 661189032 /nfs/dbraw/zinc/18/90/32/661189032.db2.gz OQAHMTKLYQIPRK-DOMZBBRYSA-N 1 0 385.302 2.910 20 0 GFADRO O=S(=O)(NC[C@@H]1CC[N@@H+](C2CC2)C1)c1cc2ccc(Cl)nc2cc1F ZINC000750155868 655811900 /nfs/dbraw/zinc/81/19/00/655811900.db2.gz UEPPMPWYTZRCCL-NSHDSACASA-N 1 0 383.876 2.790 20 0 GFADRO CC(C)[C@H](C[NH+](C)C)NC(=O)c1cc(F)ccc1I ZINC000750729240 655816580 /nfs/dbraw/zinc/81/65/80/655816580.db2.gz YLCFRBPSXJACCF-ZDUSSCGKSA-N 1 0 378.229 2.746 20 0 GFADRO Cc1cc(NC(=O)c2ccc(Br)nc2)n(C2CC[NH+](C)CC2)n1 ZINC000750885100 655818543 /nfs/dbraw/zinc/81/85/43/655818543.db2.gz CPUZUQVWNOJLEF-UHFFFAOYSA-N 1 0 378.274 2.868 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CNC(=S)NCc1ccc(OC)c(Br)c1 ZINC000751034885 655820722 /nfs/dbraw/zinc/82/07/22/655820722.db2.gz IMWLASSKHUGLCH-ZDUSSCGKSA-N 1 0 386.359 2.906 20 0 GFADRO CC[C@H](C[NH+]1CCCC1)NS(=O)(=O)c1cc(Br)cnc1Cl ZINC000751254423 655824034 /nfs/dbraw/zinc/82/40/34/655824034.db2.gz RQHQQZRBFJXVCK-LLVKDONJSA-N 1 0 396.738 2.650 20 0 GFADRO COc1ccc(OC)c([C@H](O)C[NH2+]C[C@@H](O)c2ccccc2Br)c1 ZINC000751570358 655831129 /nfs/dbraw/zinc/83/11/29/655831129.db2.gz OLYHXPVBEJCBBC-IAGOWNOFSA-N 1 0 396.281 2.823 20 0 GFADRO O[C@H](C[NH2+]CCOc1ccc2c(c1)OCO2)c1ccccc1Br ZINC000751577131 655831227 /nfs/dbraw/zinc/83/12/27/655831227.db2.gz UUZNUFNDCQQUBU-OAHLLOKOSA-N 1 0 380.238 2.880 20 0 GFADRO OCC[C@@H]([NH2+]C[C@@H](O)COc1cccc(Br)c1)c1cccs1 ZINC000754389332 655867159 /nfs/dbraw/zinc/86/71/59/655867159.db2.gz RSUPIOXZNFKWEH-UKRRQHHQSA-N 1 0 386.311 2.964 20 0 GFADRO O=C(C[NH2+][C@@H](CCO)c1cccs1)N(Cc1ccco1)CC(F)(F)F ZINC000754392911 655867320 /nfs/dbraw/zinc/86/73/20/655867320.db2.gz DRDDVWOVFQSFRJ-ZDUSSCGKSA-N 1 0 376.400 2.945 20 0 GFADRO CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@@H]1[NH2+]CCC(C)(C)S(C)(=O)=O ZINC000840876118 661197492 /nfs/dbraw/zinc/19/74/92/661197492.db2.gz LBFCNFOCBWFOKF-GJZGRUSLSA-N 1 0 376.563 2.873 20 0 GFADRO CC(C)(C)OC(=O)NCC1CCC([NH2+]CCC(C)(C)S(C)(=O)=O)CC1 ZINC000840876414 661197992 /nfs/dbraw/zinc/19/79/92/661197992.db2.gz MLMIKQYOGIYMRM-UHFFFAOYSA-N 1 0 376.563 2.873 20 0 GFADRO C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]CCS(=O)(=O)C1CC1 ZINC000840880574 661198123 /nfs/dbraw/zinc/19/81/23/661198123.db2.gz DPCXOVIWBJWQDF-LLVKDONJSA-N 1 0 378.416 2.589 20 0 GFADRO CC[N@H+](CCNc1ncnc2c1c(Br)nn2C)CCC(F)(F)F ZINC000755040182 655878821 /nfs/dbraw/zinc/87/88/21/655878821.db2.gz JPOSPTFDIYPDTC-UHFFFAOYSA-N 1 0 395.227 2.812 20 0 GFADRO O=c1c(Br)nn(CN2CCC[C@H]2C[NH+]2CCCC2)c2ccccc12 ZINC000755742461 655888299 /nfs/dbraw/zinc/88/82/99/655888299.db2.gz BQMDXVXSXXMYTB-AWEZNQCLSA-N 1 0 391.313 2.677 20 0 GFADRO Clc1ccc(-n2cc(C[NH2+]CCCNc3ncccn3)nn2)c(Cl)c1 ZINC000756045381 655893756 /nfs/dbraw/zinc/89/37/56/655893756.db2.gz WQSIRBNFKAYSAF-UHFFFAOYSA-N 1 0 378.267 2.956 20 0 GFADRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)Nc1cccc(I)c1 ZINC000757798394 655916758 /nfs/dbraw/zinc/91/67/58/655916758.db2.gz WOBWPJKONJAHRL-QMTHXVAHSA-N 1 0 385.249 2.895 20 0 GFADRO Cc1cc(NC(=O)c2ccnc(Br)c2)n(C2CC[NH+](C)CC2)n1 ZINC000758280395 655928469 /nfs/dbraw/zinc/92/84/69/655928469.db2.gz UHWQDIBRUGNNDY-UHFFFAOYSA-N 1 0 378.274 2.868 20 0 GFADRO O=C(NC1CC[NH+](C2CCCC2)CC1)c1cccnc1I ZINC000758326501 655929438 /nfs/dbraw/zinc/92/94/38/655929438.db2.gz RHCYJRRCHALSFV-UHFFFAOYSA-N 1 0 399.276 2.823 20 0 GFADRO O=C(c1cccnc1I)N1CC[NH+](C2CCCCC2)CC1 ZINC000758372915 655930443 /nfs/dbraw/zinc/93/04/43/655930443.db2.gz XVXBSZQIQVERFG-UHFFFAOYSA-N 1 0 399.276 2.777 20 0 GFADRO C[C@@H](C1CC[NH+](C)CC1)N(C)S(=O)(=O)c1ccc2nc(Cl)cnc2c1 ZINC000758537620 655935107 /nfs/dbraw/zinc/93/51/07/655935107.db2.gz FMDPSWNJCJSGCP-LBPRGKRZSA-N 1 0 382.917 2.634 20 0 GFADRO Ic1ccccc1C[NH2+]C1CCN(c2cccnn2)CC1 ZINC000758559286 655935724 /nfs/dbraw/zinc/93/57/24/655935724.db2.gz RWRDKLOXSMDFCD-UHFFFAOYSA-N 1 0 394.260 2.840 20 0 GFADRO COCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](C[C@H](O)c2ccc(Cl)cc2Cl)C1 ZINC000759127675 655948514 /nfs/dbraw/zinc/94/85/14/655948514.db2.gz CSOQNYVWBXWIKJ-XNJGSVPQSA-N 1 0 389.323 2.890 20 0 GFADRO C[NH+](C)CC(C)(C)CNC(=S)NCCOc1ccc(C(F)(F)F)cn1 ZINC000760279048 655974260 /nfs/dbraw/zinc/97/42/60/655974260.db2.gz GSQTWGHDDBEWDC-UHFFFAOYSA-N 1 0 378.464 2.531 20 0 GFADRO C[NH+]1CCC(CNC(=S)NCCc2ccc(Br)s2)CC1 ZINC000760467374 655981743 /nfs/dbraw/zinc/98/17/43/655981743.db2.gz SLOYTCROTBPFFM-UHFFFAOYSA-N 1 0 376.389 2.859 20 0 GFADRO CN1CC[C@H](NC(=S)NCC2CC[NH+](C)CC2)[C@@H]1c1ccc(Cl)cc1 ZINC000760500089 655982774 /nfs/dbraw/zinc/98/27/74/655982774.db2.gz QGBGZULXFZFGRG-ROUUACIJSA-N 1 0 380.989 2.891 20 0 GFADRO CC(C)S(=O)(=O)CC[NH2+]C1(c2ccc(Br)cc2)CCOCC1 ZINC000760851613 655993463 /nfs/dbraw/zinc/99/34/63/655993463.db2.gz OMQXINJNIBFYJF-UHFFFAOYSA-N 1 0 390.343 2.868 20 0 GFADRO Brc1cc2c(cc1C[NH2+][C@@H]1CCCC[C@H]1N1CCOCC1)OCO2 ZINC000760919797 655994812 /nfs/dbraw/zinc/99/48/12/655994812.db2.gz KQFKELJGZYAXAD-HZPDHXFCSA-N 1 0 397.313 2.911 20 0 GFADRO CC(C)(C)OC(=O)N1CC=C(C[NH2+]Cc2ccc(S(C)(=O)=O)s2)CC1 ZINC000840938341 661213613 /nfs/dbraw/zinc/21/36/13/661213613.db2.gz NPCTZIQBFGTWRY-UHFFFAOYSA-N 1 0 386.539 2.808 20 0 GFADRO CCCN(C(=O)[C@H](C)SCC[NH+](C(C)C)C(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000762199003 656035974 /nfs/dbraw/zinc/03/59/74/656035974.db2.gz KLDYIVPZWUGSNO-DLBZAZTESA-N 1 0 392.631 2.653 20 0 GFADRO O=C(NCC[N@@H+]1CCc2ccccc2C1)N[C@@H]1CC[C@H]2SCCS[C@@H]12 ZINC000762532514 656047163 /nfs/dbraw/zinc/04/71/63/656047163.db2.gz FIPWCHYUUOIFKS-KURKYZTESA-N 1 0 377.579 2.724 20 0 GFADRO Cc1n[nH]c(C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1Br ZINC000762547849 656047975 /nfs/dbraw/zinc/04/79/75/656047975.db2.gz MVYKYLBNAYKONM-CQSZACIVSA-N 1 0 377.286 2.827 20 0 GFADRO NC(=O)NC(=O)OCCC[N@H+]1CC=C(c2cccc(Br)c2)CC1 ZINC000762626532 656052474 /nfs/dbraw/zinc/05/24/74/656052474.db2.gz ZPANIJOGVOKVGD-UHFFFAOYSA-N 1 0 382.258 2.733 20 0 GFADRO Cc1sc(Cl)nc1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000762902031 656063214 /nfs/dbraw/zinc/06/32/14/656063214.db2.gz UPJBNLILTJVRDZ-LSDHHAIUSA-N 1 0 379.913 2.718 20 0 GFADRO C[NH+](C)CCN(Cc1ccccn1)C(=O)N[C@@H]1CC[C@H]2SCCS[C@@H]12 ZINC000763059935 656070050 /nfs/dbraw/zinc/07/00/50/656070050.db2.gz FYTUMIJDJYSNOR-ZACQAIPSSA-N 1 0 380.583 2.534 20 0 GFADRO O=C(COc1ccccc1Br)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000763996258 656098733 /nfs/dbraw/zinc/09/87/33/656098733.db2.gz OBHPJCMQCVHGPA-OAHLLOKOSA-N 1 0 397.313 2.588 20 0 GFADRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000764996666 656125464 /nfs/dbraw/zinc/12/54/64/656125464.db2.gz MTJUPUXPFLFSBY-HZPDHXFCSA-N 1 0 375.296 2.596 20 0 GFADRO O=C(NC1CC[NH+](C[C@H]2CCCO2)CC1)[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000765044262 656127362 /nfs/dbraw/zinc/12/73/62/656127362.db2.gz VEVQDVJGAPTXPH-IAGOWNOFSA-N 1 0 387.307 2.786 20 0 GFADRO C[N@@H+]1CCC[C@H]2CN(Cn3c4ccc(Br)cc4oc3=O)CC[C@H]21 ZINC000765106910 656132056 /nfs/dbraw/zinc/13/20/56/656132056.db2.gz PURAWBOZPYGYEU-GXTWGEPZSA-N 1 0 380.286 2.731 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)Nc2cc3c(cc2Br)OCCO3)C1 ZINC000841015879 661227910 /nfs/dbraw/zinc/22/79/10/661227910.db2.gz PKRYCPCWUGPVTN-QWRGUYRKSA-N 1 0 384.274 2.811 20 0 GFADRO C[NH+](C)C1(CNC(=O)N2Cc3ccc(Br)cc3C2)CCOCC1 ZINC000765270528 656139004 /nfs/dbraw/zinc/13/90/04/656139004.db2.gz MADWNSAAWDWQGD-UHFFFAOYSA-N 1 0 382.302 2.585 20 0 GFADRO C[NH+](C)CCOCCNC(=O)Nc1ccc(N2CCSCC2)c(Cl)c1 ZINC000765959062 656156450 /nfs/dbraw/zinc/15/64/50/656156450.db2.gz MDHUCJTVGUITJB-UHFFFAOYSA-N 1 0 386.949 2.593 20 0 GFADRO Cn1cc([C@H](O)C[C@H]2CCC[N@@H+]2C[C@@H](O)c2ccc(Br)cc2)cn1 ZINC000766949370 656189240 /nfs/dbraw/zinc/18/92/40/656189240.db2.gz JKXBWDWWEYGIPE-KZNAEPCWSA-N 1 0 394.313 2.804 20 0 GFADRO O[C@H]1CCC[C@@H]1[NH+]1CCC(NC(=S)NCCSc2ccccc2)CC1 ZINC000767690407 656214163 /nfs/dbraw/zinc/21/41/63/656214163.db2.gz QTRGKVRVOIBEMA-ROUUACIJSA-N 1 0 379.595 2.621 20 0 GFADRO [NH3+]CC1CCN(C(=O)Nc2cnc(Br)c(Br)c2)CC1 ZINC000841143294 661237808 /nfs/dbraw/zinc/23/78/08/661237808.db2.gz XEVIHVUTSKGBLB-UHFFFAOYSA-N 1 0 392.095 2.809 20 0 GFADRO O[C@H](C[NH2+]C1CC(C(F)F)C1)COc1ccc(I)cc1 ZINC000768684726 656248844 /nfs/dbraw/zinc/24/88/44/656248844.db2.gz GUERPGJUFOYPGJ-QEWOUOOISA-N 1 0 397.203 2.664 20 0 GFADRO C[NH+](C)[C@@H](CNC(=S)NC1CCOCC1)c1cccc(C(F)(F)F)c1 ZINC000768787366 656251529 /nfs/dbraw/zinc/25/15/29/656251529.db2.gz ZVPIYROYFPYQGW-HNNXBMFYSA-N 1 0 375.460 2.951 20 0 GFADRO O=C(Nc1cccc(Cl)c1SC(F)F)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000841187190 661242612 /nfs/dbraw/zinc/24/26/12/661242612.db2.gz OVAVUYJHJPTNES-ZJUUUORDSA-N 1 0 389.855 2.946 20 0 GFADRO C[C@@H](NC(=O)C(=O)Nc1ccccc1SC[C@H]1CC1(Cl)Cl)[C@H](C)[NH3+] ZINC000841258625 661250359 /nfs/dbraw/zinc/25/03/59/661250359.db2.gz YTWVPNSPVQEHPR-HBNTYKKESA-N 1 0 390.336 2.763 20 0 GFADRO Cc1cnc(Br)cc1NC(=O)NCCC[NH2+]Cc1cccnc1 ZINC000841197344 661243511 /nfs/dbraw/zinc/24/35/11/661243511.db2.gz RUWBZNAJNSIKPA-UHFFFAOYSA-N 1 0 378.274 2.849 20 0 GFADRO C[N@@H+]1CCC[C@H](N2CCN(Cc3ccccc3I)CC2)C1 ZINC000769380427 656272774 /nfs/dbraw/zinc/27/27/74/656272774.db2.gz IWXJTBXNWDUOPS-INIZCTEOSA-N 1 0 399.320 2.503 20 0 GFADRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1nccn2c(Br)cnc12 ZINC000769719644 656287557 /nfs/dbraw/zinc/28/75/57/656287557.db2.gz KHROMNGOSBYYGN-FRRDWIJNSA-N 1 0 394.317 2.588 20 0 GFADRO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2nccn3c(Br)cnc23)C1 ZINC000769723405 656287990 /nfs/dbraw/zinc/28/79/90/656287990.db2.gz YLJBIVOXNRHFJJ-LBPRGKRZSA-N 1 0 394.317 2.732 20 0 GFADRO O=C(NCCO)C1CC[NH+]([C@H]2CCCc3ccc(Br)cc32)CC1 ZINC000769908159 656299840 /nfs/dbraw/zinc/29/98/40/656299840.db2.gz LTQZSKYBUFOGGY-KRWDZBQOSA-N 1 0 381.314 2.647 20 0 GFADRO C[C@H]1CCN(C(=O)C(=O)Nc2ccccc2SC(F)(F)F)C[C@@H]1C[NH3+] ZINC000841276241 661250991 /nfs/dbraw/zinc/25/09/91/661250991.db2.gz OSFSIWDPLRKUAU-QWRGUYRKSA-N 1 0 375.416 2.680 20 0 GFADRO O=C(NCC1CC[NH2+]CC1)Nc1cc(C(F)(F)F)cc(Br)n1 ZINC000841241314 661247798 /nfs/dbraw/zinc/24/77/98/661247798.db2.gz JVIWZTYWZSKOQF-UHFFFAOYSA-N 1 0 381.196 2.984 20 0 GFADRO CCc1c(Cl)nc(CS(C)(=O)=O)nc1NCC1CC[NH+](C2CC2)CC1 ZINC000770177843 656310283 /nfs/dbraw/zinc/31/02/83/656310283.db2.gz IJQXNPIFQYQFLU-UHFFFAOYSA-N 1 0 386.949 2.523 20 0 GFADRO C[C@@H](CCC[NH3+])NC(=O)C(=O)Nc1ccc2cc(Br)ccc2c1 ZINC000841250771 661248934 /nfs/dbraw/zinc/24/89/34/661248934.db2.gz LGAMBAIUTOTYSR-NSHDSACASA-N 1 0 378.270 2.784 20 0 GFADRO C[C@H](CC(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccc(Br)cc1 ZINC000770274657 656314288 /nfs/dbraw/zinc/31/42/88/656314288.db2.gz KTZGHQZZNXGSMA-XOKHGSTOSA-N 1 0 381.314 2.922 20 0 GFADRO C[NH+]1CCN(CCC(C)(C)NS(=O)(=O)/C=C/c2ccccc2Cl)CC1 ZINC000770297371 656315644 /nfs/dbraw/zinc/31/56/44/656315644.db2.gz BDHSTTLQOSJFTI-OVCLIPMQSA-N 1 0 385.961 2.646 20 0 GFADRO O=C1C[C@H]([C@@H]2CCCC[N@H+]2Cc2ccccc2I)CN1 ZINC000770378368 656317665 /nfs/dbraw/zinc/31/76/65/656317665.db2.gz DTPXGMXYDAXUBP-ZFWWWQNUSA-N 1 0 384.261 2.782 20 0 GFADRO C[C@@H](NC(=O)C(=O)Nc1ccccc1SC[C@@H]1CC1(Cl)Cl)[C@H](C)[NH3+] ZINC000841258622 661249939 /nfs/dbraw/zinc/24/99/39/661249939.db2.gz YTWVPNSPVQEHPR-AXFHLTTASA-N 1 0 390.336 2.763 20 0 GFADRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)c1cc(=O)c2cc(Br)ccc2o1 ZINC000841395583 661259678 /nfs/dbraw/zinc/25/96/78/661259678.db2.gz WWAIJYQUSDKEME-GFCCVEGCSA-N 1 0 393.281 2.969 20 0 GFADRO COCCc1nc(C)c([C@H](C)[NH2+]CCS(=O)(=O)Cc2ccccc2)s1 ZINC000771375779 656347428 /nfs/dbraw/zinc/34/74/28/656347428.db2.gz VNIPFUNNIPFMLJ-AWEZNQCLSA-N 1 0 382.551 2.906 20 0 GFADRO CC(C)(C)[NH+]1CCC(NS(=O)(=O)c2ccc3nc(Cl)cnc3c2)CC1 ZINC000772922159 656393882 /nfs/dbraw/zinc/39/38/82/656393882.db2.gz XTQOZNMCASMEGW-UHFFFAOYSA-N 1 0 382.917 2.824 20 0 GFADRO CN(C(=O)c1cnn(-c2ccccc2)c1Br)[C@@H]1C[NH+]2CCC1CC2 ZINC000772966117 656395762 /nfs/dbraw/zinc/39/57/62/656395762.db2.gz JFDVAAOZWVZSGJ-MRXNPFEDSA-N 1 0 389.297 2.801 20 0 GFADRO C[C@@H]([NH2+]CCS(=O)(=O)CC1CC1)c1ccc(I)cc1 ZINC000773063805 656398235 /nfs/dbraw/zinc/39/82/35/656398235.db2.gz DDSHNIJEGIJZBI-LLVKDONJSA-N 1 0 393.290 2.767 20 0 GFADRO C[C@H]1CC[N@H+](CCNC(=O)c2cnn(-c3ccccc3)c2Br)C1 ZINC000773224123 656404760 /nfs/dbraw/zinc/40/47/60/656404760.db2.gz NRLHOTCGXQESIU-ZDUSSCGKSA-N 1 0 377.286 2.706 20 0 GFADRO CS[C@H]1CN(S(=O)(=O)C2=Cc3ccccc3CC2)C[C@@H]1[NH+]1CCCC1 ZINC000773304977 656409431 /nfs/dbraw/zinc/40/94/31/656409431.db2.gz FRIGHOHRMLMOPY-OALUTQOASA-N 1 0 378.563 2.815 20 0 GFADRO CC(C)(C)SCCNC(=O)C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000774958879 656575246 /nfs/dbraw/zinc/57/52/46/656575246.db2.gz YNCNEGOOQAZYBF-CQSZACIVSA-N 1 0 383.583 2.649 20 0 GFADRO CC(C)(C)SCCNC(=O)C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000774958876 656575819 /nfs/dbraw/zinc/57/58/19/656575819.db2.gz YNCNEGOOQAZYBF-AWEZNQCLSA-N 1 0 383.583 2.649 20 0 GFADRO CCCNC(=O)CN1CCC([NH2+]Cc2cc(C)cc(Br)c2)CC1 ZINC000774965302 656576263 /nfs/dbraw/zinc/57/62/63/656576263.db2.gz YOTFKDJMNROUIV-UHFFFAOYSA-N 1 0 382.346 2.838 20 0 GFADRO Cc1cc(Br)cc(C[NH2+]CCCN2CCC[C@@H]2C(=O)N(C)C)c1 ZINC000774983527 656580574 /nfs/dbraw/zinc/58/05/74/656580574.db2.gz OGIKDUGTSLHSMY-QGZVFWFLSA-N 1 0 382.346 2.790 20 0 GFADRO O=C1c2ccccc2C(=O)N1CC[NH2+]C[C@@H](O)c1c(Cl)cccc1Cl ZINC000775026962 656588509 /nfs/dbraw/zinc/58/85/09/656588509.db2.gz CKCSDFRAGVMHBB-OAHLLOKOSA-N 1 0 379.243 2.913 20 0 GFADRO CC(C)[C@H]([NH2+]C[C@H](O)COc1cc(Cl)ccc1Cl)C(=O)N1CCCC1 ZINC000775424556 656638658 /nfs/dbraw/zinc/63/86/58/656638658.db2.gz SIVAQBRRMHBLDS-YOEHRIQHSA-N 1 0 389.323 2.970 20 0 GFADRO C[C@@H]([NH2+]CCCCCS(C)(=O)=O)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000775584807 656650890 /nfs/dbraw/zinc/65/08/90/656650890.db2.gz ASEYWDHCRZQVRR-OAHLLOKOSA-N 1 0 376.563 2.827 20 0 GFADRO CS[C@H]1CN(CC(=O)Nc2ccc(SC(F)F)cc2)C[C@H]1[NH+](C)C ZINC000776002025 656702153 /nfs/dbraw/zinc/70/21/53/656702153.db2.gz RDOWASJFPPYQNZ-KGLIPLIRSA-N 1 0 375.510 2.917 20 0 GFADRO Cc1cnc(Br)cc1NC(=O)NC[C@@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000776048725 656707167 /nfs/dbraw/zinc/70/71/67/656707167.db2.gz OPVCTKIGRJZCPH-HNNXBMFYSA-N 1 0 398.349 2.546 20 0 GFADRO CS[C@@H]1CN(C(=O)c2cc(F)cc3[nH]c(=S)[nH]c32)C[C@@H]1[NH+]1CCCC1 ZINC000776211227 656720653 /nfs/dbraw/zinc/72/06/53/656720653.db2.gz LMAPNWMVHMJVHC-UONOGXRCSA-N 1 0 380.514 2.643 20 0 GFADRO CS[C@@H]1CN(C(=O)c2cc(F)cc3[nH]c(=S)[nH]c32)C[C@H]1[NH+]1CCCC1 ZINC000776211229 656720879 /nfs/dbraw/zinc/72/08/79/656720879.db2.gz LMAPNWMVHMJVHC-ZIAGYGMSSA-N 1 0 380.514 2.643 20 0 GFADRO O=c1oc2cc(I)ccc2n1C[N@@H+]1CC[C@H](C2CC2)C1 ZINC000777956905 656846475 /nfs/dbraw/zinc/84/64/75/656846475.db2.gz BSKOQKZBHVYWGB-NSHDSACASA-N 1 0 384.217 2.889 20 0 GFADRO O=c1oc2cc(I)ccc2n1C[N@@H+]1CC[C@@H](C2CC2)C1 ZINC000777956904 656846683 /nfs/dbraw/zinc/84/66/83/656846683.db2.gz BSKOQKZBHVYWGB-LLVKDONJSA-N 1 0 384.217 2.889 20 0 GFADRO Cc1ccc(C[N@@H+]2CCCN(C(=O)Cn3ccc(Br)n3)CC2)cc1 ZINC000778556870 656884198 /nfs/dbraw/zinc/88/41/98/656884198.db2.gz AYVCMNYHDHKZOZ-UHFFFAOYSA-N 1 0 391.313 2.689 20 0 GFADRO COc1ccc(S(=O)(=O)N2CCC([NH2+][C@@H]3CC[C@H](SC)C3)CC2)cc1 ZINC000779074007 656898548 /nfs/dbraw/zinc/89/85/48/656898548.db2.gz WYJDPNXUXLHLAK-WBVHZDCISA-N 1 0 384.567 2.722 20 0 GFADRO S=C(NCCc1cccs1)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000779719940 656937648 /nfs/dbraw/zinc/93/76/48/656937648.db2.gz GCHNSRJDKWEASH-UHFFFAOYSA-N 1 0 381.611 2.990 20 0 GFADRO C[NH+](C)CCNC(=O)c1ccc(NC(=O)c2cc(Cl)ncc2Cl)cc1 ZINC000780349478 656999628 /nfs/dbraw/zinc/99/96/28/656999628.db2.gz MLHCCDZMLOPPJH-UHFFFAOYSA-N 1 0 381.263 2.932 20 0 GFADRO C[C@@H]1CCC[N@@H+]1CCNS(=O)(=O)c1cc(Br)ccc1Cl ZINC000780865235 657033756 /nfs/dbraw/zinc/03/37/56/657033756.db2.gz FDWUFMNFMSMVKC-SNVBAGLBSA-N 1 0 381.723 2.865 20 0 GFADRO C[C@H]1CCC[N@@H+]1CCNS(=O)(=O)c1ccc(Br)c(Cl)c1 ZINC000780864723 657033782 /nfs/dbraw/zinc/03/37/82/657033782.db2.gz ANGOXUBIHKJWTQ-JTQLQIEISA-N 1 0 381.723 2.865 20 0 GFADRO CN1CC[NH+](CC2(C)CCN(C(=O)c3cc(Cl)ncc3Cl)CC2)CC1 ZINC000781021072 657040488 /nfs/dbraw/zinc/04/04/88/657040488.db2.gz ZGMWXACWEINOTK-UHFFFAOYSA-N 1 0 385.339 2.878 20 0 GFADRO COC(=O)[C@@H]1CC(=O)N(C[NH2+]C2(c3ccc(Br)cc3)CCCC2)C1 ZINC000782271021 657123712 /nfs/dbraw/zinc/12/37/12/657123712.db2.gz WKCKBEWIWYYQAK-CYBMUJFWSA-N 1 0 395.297 2.787 20 0 GFADRO CS[C@H]1CN(S(=O)(=O)c2cccc(C(F)F)c2)C[C@H]1[NH+]1CCCC1 ZINC000782481386 657149339 /nfs/dbraw/zinc/14/93/39/657149339.db2.gz FRAYVQSTKLSBPC-CABCVRRESA-N 1 0 376.494 2.825 20 0 GFADRO S=C(Nc1ccc(Br)cc1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000783746637 657258130 /nfs/dbraw/zinc/25/81/30/657258130.db2.gz ZWKWTNKEMHGLHM-CYBMUJFWSA-N 1 0 384.343 2.800 20 0 GFADRO Cc1ccc([C@H](O)C[NH2+]C[C@@H](O)COc2cc(F)cc(Br)c2)cc1 ZINC000783962625 657277904 /nfs/dbraw/zinc/27/79/04/657277904.db2.gz YDALAXSJUKFURF-SJLPKXTDSA-N 1 0 398.272 2.960 20 0 GFADRO O=c1c(Br)nn(C[NH+]2CCC([C@H]3CCOC3)CC2)c2ccccc12 ZINC000784009683 657281955 /nfs/dbraw/zinc/28/19/55/657281955.db2.gz WKAYVWPATHWEKM-AWEZNQCLSA-N 1 0 392.297 2.865 20 0 GFADRO COC(=O)c1ccc(Cl)c(S(=O)(=O)N[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000784722055 657323874 /nfs/dbraw/zinc/32/38/74/657323874.db2.gz VZMOCXHSXBYRMP-OLZOCXBDSA-N 1 0 388.917 2.525 20 0 GFADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1S(=O)(=O)/C=C/c1ccccc1Cl ZINC000785311376 657354011 /nfs/dbraw/zinc/35/40/11/657354011.db2.gz QRVMMVJDVGTRCS-XETPBLJFSA-N 1 0 384.929 2.826 20 0 GFADRO Cn1nc(Br)cc1CNc1cccc(C[NH+]2CCC(CO)CC2)c1 ZINC000785484171 657367930 /nfs/dbraw/zinc/36/79/30/657367930.db2.gz HYSRHVKDFZQNIQ-UHFFFAOYSA-N 1 0 393.329 2.999 20 0 GFADRO COC(=O)c1ccc(CNC(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)c(Br)c1 ZINC000785581756 657376977 /nfs/dbraw/zinc/37/69/77/657376977.db2.gz UYJUFVCGVTWNFM-FZMZJTMJSA-N 1 0 398.301 2.518 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)OCCC(Cl)(Cl)Cl)CC1=O ZINC000785654872 657380486 /nfs/dbraw/zinc/38/04/86/657380486.db2.gz UAMFHZYBLFSKSH-RYUDHWBXSA-N 1 0 385.719 2.623 20 0 GFADRO Cc1nn(Cc2c(Cl)cccc2Cl)c(Cl)c1C[NH2+]C[C@H](O)CO ZINC000785981214 657398972 /nfs/dbraw/zinc/39/89/72/657398972.db2.gz PVQOJFWKFMIBBB-JTQLQIEISA-N 1 0 378.687 2.643 20 0 GFADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2ccc(OC(F)(F)Cl)cc2)C1 ZINC000786753406 657460716 /nfs/dbraw/zinc/46/07/16/657460716.db2.gz MWIJXBOIAUVAJR-HNNXBMFYSA-N 1 0 376.831 2.941 20 0 GFADRO O=C(Nc1cc(I)ccc1O)C1CC[NH+](C2CC2)CC1 ZINC000787473573 657557939 /nfs/dbraw/zinc/55/79/39/657557939.db2.gz HZPCIHBGUOAFEJ-UHFFFAOYSA-N 1 0 386.233 2.810 20 0 GFADRO COc1cc(C(=O)NC[C@H]2CCC[N@H+](CC(C)C)C2)cnc1Br ZINC000788231620 657679440 /nfs/dbraw/zinc/67/94/40/657679440.db2.gz GYYDXPAPCHSKDD-CYBMUJFWSA-N 1 0 384.318 2.951 20 0 GFADRO COC(=O)c1sc(S(=O)(=O)NC[C@H](C)C[NH+]2CCCC2)c(C)c1Cl ZINC000788595991 657749075 /nfs/dbraw/zinc/74/90/75/657749075.db2.gz ODBJAAOXRMFWQK-JTQLQIEISA-N 1 0 394.946 2.507 20 0 GFADRO C[C@H]1OC(=O)N[C@@H]1C(=O)N(CCC[NH+](C)C)Cc1ccc(Cl)c(Cl)c1 ZINC000788650840 657761756 /nfs/dbraw/zinc/76/17/56/657761756.db2.gz PUCCZAQTKYXWIU-ABAIWWIYSA-N 1 0 388.295 2.771 20 0 GFADRO C[N@H+](C[C@H](O)c1ccc(Br)cc1)C1CCN(c2cnccn2)CC1 ZINC000789367518 657842432 /nfs/dbraw/zinc/84/24/32/657842432.db2.gz URFOLCSXWTTXAJ-KRWDZBQOSA-N 1 0 391.313 2.873 20 0 GFADRO COc1nc(Br)ccc1NC(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000789383456 657846070 /nfs/dbraw/zinc/84/60/70/657846070.db2.gz SAFQHTYOPAVOSH-GFCCVEGCSA-N 1 0 383.290 2.945 20 0 GFADRO COC(=O)c1c2cnn(C[N@@H+]3CCC[C@@H]3C[C@H](C)O)c2ccc1Br ZINC000790442776 657979112 /nfs/dbraw/zinc/97/91/12/657979112.db2.gz PTXXQOPKILZDHG-NWDGAFQWSA-N 1 0 396.285 2.778 20 0 GFADRO OC[C@H](C[C@H](O)c1ccccc1)[NH2+]Cc1cccc(I)c1 ZINC000790567171 657999009 /nfs/dbraw/zinc/99/90/09/657999009.db2.gz FFLHFBPZNBAAKQ-IRXDYDNUSA-N 1 0 397.256 2.865 20 0 GFADRO Nc1nc(N2CCC[C@H](OC(=O)c3sccc3Br)C2)cc[nH+]1 ZINC000791105278 658060183 /nfs/dbraw/zinc/06/01/83/658060183.db2.gz BTCOIFCNKCOPLC-VIFPVBQESA-N 1 0 383.271 2.709 20 0 GFADRO C[NH+]1CCC(Nc2ccccc2NC(=O)c2cc(Br)[nH]n2)CC1 ZINC000791344550 658084106 /nfs/dbraw/zinc/08/41/06/658084106.db2.gz NPPMQSRIJRBRCY-UHFFFAOYSA-N 1 0 378.274 2.931 20 0 GFADRO Cc1c(Br)ccc(N)c1C(=O)OCCCN1CC[NH+](C(C)C)CC1 ZINC000792149739 658241532 /nfs/dbraw/zinc/24/15/32/658241532.db2.gz FVZSEXMOOQQXGB-UHFFFAOYSA-N 1 0 398.345 2.913 20 0 GFADRO O=c1oc2cc(F)c(Br)cc2n1CN1CC[NH+](C2CCC2)CC1 ZINC000792707286 658314356 /nfs/dbraw/zinc/31/43/56/658314356.db2.gz PUHMHYKLADBFTO-UHFFFAOYSA-N 1 0 384.249 2.624 20 0 GFADRO CC(C)(C)OC(=O)NCC[C@H](O)C[NH2+]Cc1csc(Br)c1 ZINC000792960535 658336213 /nfs/dbraw/zinc/33/62/13/658336213.db2.gz VAVLEKJWIUAEEF-NSHDSACASA-N 1 0 379.320 2.876 20 0 GFADRO CC1(CC[NH2+]Cc2c(F)ccc(I)c2F)OCCO1 ZINC000793073951 658356301 /nfs/dbraw/zinc/35/63/01/658356301.db2.gz DNTJJBMOGZRSOD-UHFFFAOYSA-N 1 0 383.176 2.812 20 0 GFADRO Cc1ccc(NC(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)nc1Br ZINC000794358208 658526275 /nfs/dbraw/zinc/52/62/75/658526275.db2.gz AEUAZURLACXNQZ-CYBMUJFWSA-N 1 0 385.306 2.727 20 0 GFADRO O=C(Cc1cccnc1Br)Nc1cccc(C[N@H+]2CC[C@H](O)C2)c1 ZINC000794565552 658561675 /nfs/dbraw/zinc/56/16/75/658561675.db2.gz ABVUQMXTCUKFLO-INIZCTEOSA-N 1 0 390.281 2.592 20 0 GFADRO O=CN1CCC([NH2+]Cc2ccc(I)cc2Cl)CC1 ZINC000794839433 658621425 /nfs/dbraw/zinc/62/14/25/658621425.db2.gz CPJWXEPFAGAXPC-UHFFFAOYSA-N 1 0 378.641 2.655 20 0 GFADRO O=c1ccn(C[N@@H+]2CCO[C@]3(CCCOC3)C2)c2c(Br)cccc12 ZINC000795639383 658838448 /nfs/dbraw/zinc/83/84/48/658838448.db2.gz RQSDPQUTOBBCPX-GOSISDBHSA-N 1 0 393.281 2.603 20 0 GFADRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1Cn1c2cc(Br)ccc2oc1=O ZINC000795702322 658842822 /nfs/dbraw/zinc/84/28/22/658842822.db2.gz DWYIXNFOQDWTFK-JSGCOSHPSA-N 1 0 380.286 2.873 20 0 GFADRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1Cn1c2ccc(Br)cc2oc1=O ZINC000795707639 658843588 /nfs/dbraw/zinc/84/35/88/658843588.db2.gz OHVRPAYJZKABFY-GXTWGEPZSA-N 1 0 380.286 2.873 20 0 GFADRO CC(=O)N(c1nn(CN2C[C@H]([NH+]3CCCC3)C[C@H]2C)c(=S)s1)C1CC1 ZINC000795707132 658843595 /nfs/dbraw/zinc/84/35/95/658843595.db2.gz XYJVTHCGMRDAID-IUODEOHRSA-N 1 0 381.571 2.705 20 0 GFADRO CC[C@@H](C)[NH2+][C@@H](CNS(=O)(=O)c1cnc(Cl)c(OC)c1)c1ccco1 ZINC000796049935 658884927 /nfs/dbraw/zinc/88/49/27/658884927.db2.gz YZEUZIZECBIAJX-YPMHNXCESA-N 1 0 387.889 2.744 20 0 GFADRO NS(=O)(=O)c1ccc(CC[NH2+]Cc2c(Cl)nc3cc(Cl)ccn32)cc1 ZINC000796263675 658909493 /nfs/dbraw/zinc/90/94/93/658909493.db2.gz CJEPQESXENWXHM-UHFFFAOYSA-N 1 0 399.303 2.621 20 0 GFADRO COC(=O)C[C@@](C)([NH2+]CC[C@H]1CCOC1=O)c1ccc(Br)cc1 ZINC000796498815 658920791 /nfs/dbraw/zinc/92/07/91/658920791.db2.gz YDTBRCNCNVCAAN-YVEFUNNKSA-N 1 0 384.270 2.770 20 0 GFADRO Cc1c(C[NH2+]C[C@@H]2CCCCN2S(C)(=O)=O)sc2nc(C)nc(C)c12 ZINC000796513452 658921149 /nfs/dbraw/zinc/92/11/49/658921149.db2.gz MTIWBJFPKHIPPV-AWEZNQCLSA-N 1 0 382.555 2.520 20 0 GFADRO C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1[NH2+]CCn1cc(Br)cn1 ZINC000797101856 658980180 /nfs/dbraw/zinc/98/01/80/658980180.db2.gz WLHIQEIBFKODJN-GXTWGEPZSA-N 1 0 387.322 2.881 20 0 GFADRO C[C@@H]1C[NH+](CCCNC(=O)c2cc(C(F)(F)F)cc(Cl)n2)C[C@@H](C)O1 ZINC000798155429 659076559 /nfs/dbraw/zinc/07/65/59/659076559.db2.gz MNVGWADTWJCEQZ-GHMZBOCLSA-N 1 0 379.810 2.983 20 0 GFADRO Cc1nc(C)c(S(=O)(=O)NC[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)s1 ZINC000798458807 659108184 /nfs/dbraw/zinc/10/81/84/659108184.db2.gz UCGZOQZMGPWRSQ-GOSISDBHSA-N 1 0 379.551 2.950 20 0 GFADRO O=S(=O)(CC[NH2+][C@@H](c1ccc(Cl)cc1)C1CCCC1)N1CCOCC1 ZINC000798930620 659157534 /nfs/dbraw/zinc/15/75/34/659157534.db2.gz VOJNZINYQJKNMM-GOSISDBHSA-N 1 0 386.945 2.823 20 0 GFADRO C[NH+](C)CC1(NC(=O)Nc2cc3c(cc2Br)OCCO3)CCC1 ZINC000799203499 659172497 /nfs/dbraw/zinc/17/24/97/659172497.db2.gz PKBFABHPHCNVFQ-UHFFFAOYSA-N 1 0 384.274 2.826 20 0 GFADRO C[N@@H+]1CCN(CCNC(=O)/C=C/c2cc(Br)ccc2F)CC1(C)C ZINC000799745166 659220945 /nfs/dbraw/zinc/22/09/45/659220945.db2.gz JERIKSADLXTYBC-QPJJXVBHSA-N 1 0 398.320 2.744 20 0 GFADRO CC[NH+](CC)CCCOC(=O)c1cc(S(C)(=O)=O)ccc1Br ZINC000800162424 659283142 /nfs/dbraw/zinc/28/31/42/659283142.db2.gz HIBLDFLSBIRUOR-UHFFFAOYSA-N 1 0 392.315 2.741 20 0 GFADRO CC[NH+](CC)CCCOC(=O)c1c(N)cccc1I ZINC000800196107 659290426 /nfs/dbraw/zinc/29/04/26/659290426.db2.gz AOZMTFKHIQVEPX-UHFFFAOYSA-N 1 0 376.238 2.762 20 0 GFADRO Fc1ccc(Br)c(F)c1C[NH2+]C[C@@H]1COC2(CCOCC2)O1 ZINC000800259209 659296707 /nfs/dbraw/zinc/29/67/07/659296707.db2.gz LOCJRQNLVFYIOK-SNVBAGLBSA-N 1 0 378.213 2.739 20 0 GFADRO Cc1nn(C)c(Br)c1C(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000801088055 659366791 /nfs/dbraw/zinc/36/67/91/659366791.db2.gz CKXYFIOEMWXYKN-ZDUSSCGKSA-N 1 0 383.265 2.663 20 0 GFADRO C[NH+](C)CC1(CNC(=O)NC[C@@H](O)c2cccc(Br)c2)CCCC1 ZINC000801765266 659425401 /nfs/dbraw/zinc/42/54/01/659425401.db2.gz KSTPFVWMWHHGPF-MRXNPFEDSA-N 1 0 398.345 2.904 20 0 GFADRO COc1ccc(S(=O)(=O)N2CCC[N@H+](CCSC(C)(C)C)CC2)cc1 ZINC000801928400 659433232 /nfs/dbraw/zinc/43/32/32/659433232.db2.gz AADGZRIOARJSEG-UHFFFAOYSA-N 1 0 386.583 2.923 20 0 GFADRO CN(CCC(=O)NC[C@@H](O)c1cccc(Br)c1)c1cc[nH+]cc1 ZINC000802311686 659472950 /nfs/dbraw/zinc/47/29/50/659472950.db2.gz MOFCAJHUXOCRFP-MRXNPFEDSA-N 1 0 378.270 2.520 20 0 GFADRO O=C1c2cc(Br)ccc2CN1CN1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000802729233 659498527 /nfs/dbraw/zinc/49/85/27/659498527.db2.gz JFOOSZTXIVZHEH-MRXNPFEDSA-N 1 0 378.314 2.923 20 0 GFADRO C[C@H](CNS(=O)(=O)Cc1cccc(Br)c1)[NH+]1CCCCC1 ZINC000804961136 659703886 /nfs/dbraw/zinc/70/38/86/659703886.db2.gz JHVMGMVWIQRMTL-CYBMUJFWSA-N 1 0 375.332 2.743 20 0 GFADRO CC[C@H](C)[NH2+][C@H](CNS(=O)(=O)c1cnc(Cl)c(F)c1)c1ccco1 ZINC000805099810 659738873 /nfs/dbraw/zinc/73/88/73/659738873.db2.gz MQGPTSZRYUZTCG-GXFFZTMASA-N 1 0 375.853 2.875 20 0 GFADRO Cc1ccc(-c2csc(NC(=O)C(=O)NCC[N@H+]3CCC[C@@H]3C)n2)s1 ZINC000806918531 659844342 /nfs/dbraw/zinc/84/43/42/659844342.db2.gz BQRBIRTYPUMKRF-NSHDSACASA-N 1 0 378.523 2.719 20 0 GFADRO O[C@@H]1c2ccccc2OC[C@H]1[NH2+]Cc1cccc(I)c1 ZINC000808454757 659894893 /nfs/dbraw/zinc/89/48/93/659894893.db2.gz SPULJWRRLMYJSP-GDBMZVCRSA-N 1 0 381.213 2.875 20 0 GFADRO CCS(=O)(=O)N1CCC([C@@H](C)[N@H+](C)C[C@H](O)c2cccc(Cl)c2)CC1 ZINC000808775695 659905178 /nfs/dbraw/zinc/90/51/78/659905178.db2.gz HQXALBFOJQHQJT-KDOFPFPSSA-N 1 0 388.961 2.755 20 0 GFADRO CCS(=O)(=O)N1CCC([C@H](C)[N@H+](C)Cc2cccc3nsnc32)CC1 ZINC000808776583 659905523 /nfs/dbraw/zinc/90/55/23/659905523.db2.gz XQFDHJOQUKNTER-ZDUSSCGKSA-N 1 0 382.555 2.573 20 0 GFADRO COc1cc(C[NH2+]C[C@H](O)c2cccc(Br)c2)cc(OC)c1O ZINC000809661317 659935786 /nfs/dbraw/zinc/93/57/86/659935786.db2.gz AGWPQNLMYQKTOP-AWEZNQCLSA-N 1 0 382.254 2.995 20 0 GFADRO C[C@H]([NH2+]CCOc1ccc(S(C)(=O)=O)cc1)c1ccc(Br)nc1 ZINC000810216723 659966903 /nfs/dbraw/zinc/96/69/03/659966903.db2.gz MYZGPBGSAAEJDG-LBPRGKRZSA-N 1 0 399.310 2.977 20 0 GFADRO COc1ccc(C[C@](C)(O)C[NH2+][C@@H]2CC[C@@H]3SCCS[C@H]23)cc1OC ZINC000810255719 659968091 /nfs/dbraw/zinc/96/80/91/659968091.db2.gz OJKYXOHAFBBAPM-FDPIWHGQSA-N 1 0 383.579 2.967 20 0 GFADRO Cn1nnc(Br)c1-c1nc(-c2cccc(C[NH+]3CCCC3)c2)no1 ZINC000810283025 659968596 /nfs/dbraw/zinc/96/85/96/659968596.db2.gz MWILUGGWXBMVAM-UHFFFAOYSA-N 1 0 389.257 2.890 20 0 GFADRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)c1cc(Cl)ncc1Br ZINC000810433210 659973099 /nfs/dbraw/zinc/97/30/99/659973099.db2.gz ARBNSYFDEVLZFB-LLVKDONJSA-N 1 0 390.709 2.680 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)N[C@H](CO)c2ccc(Br)cc2)C1 ZINC000810935468 659990647 /nfs/dbraw/zinc/99/06/47/659990647.db2.gz LRZXSJHFOJUQCM-PBHICJAKSA-N 1 0 387.293 2.811 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)N1CC(O)(c2ccc(Cl)cc2)C1)c1cccs1 ZINC000811659387 660014022 /nfs/dbraw/zinc/01/40/22/660014022.db2.gz WOOOYGOOJTZULI-HNNXBMFYSA-N 1 0 379.913 2.917 20 0 GFADRO Cn1cncc1CNC(=O)N1CCc2[nH]c3ccc(Br)cc3c2C1 ZINC000811924673 660017790 /nfs/dbraw/zinc/01/77/90/660017790.db2.gz DOBSGBBJJVTCBJ-UHFFFAOYSA-N 1 0 388.269 2.932 20 0 GFADRO CCN(C[C@@H](C)OC)CN1C(=O)N[C@@](C)(c2ccc(Br)cc2)C1=O ZINC000812303335 660023186 /nfs/dbraw/zinc/02/31/86/660023186.db2.gz OTUSAAHMNOXSPJ-PXAZEXFGSA-N 1 0 398.301 2.530 20 0 GFADRO CCC[N@H+](CC)C[C@@H](C)NC(=O)CCN1C(=S)N=NC1c1cccs1 ZINC000812385545 660026050 /nfs/dbraw/zinc/02/60/50/660026050.db2.gz CQBQOTVIRYXNOS-CYBMUJFWSA-N 1 0 381.571 2.922 20 0 GFADRO CCC[N@H+](CC)C[C@@H](C)NC(=O)c1cccnc1I ZINC000812385444 660026123 /nfs/dbraw/zinc/02/61/23/660026123.db2.gz AVUFVRRWHMOAJI-LLVKDONJSA-N 1 0 375.254 2.536 20 0 GFADRO C[C@@H]([NH2+]Cc1cc(Br)nn1C)c1ccc(N2CCCNC2=O)cc1 ZINC000812800356 660034860 /nfs/dbraw/zinc/03/48/60/660034860.db2.gz RGUBODSVDRPZTH-GFCCVEGCSA-N 1 0 392.301 2.953 20 0 GFADRO C[N@@H+]1CC[C@@]2(CCN(S(=O)(=O)c3cc4ccc(Cl)nc4cc3F)C2)C1 ZINC000813759355 660063455 /nfs/dbraw/zinc/06/34/55/660063455.db2.gz BWYXKPCVXCIJIW-QGZVFWFLSA-N 1 0 383.876 2.744 20 0 GFADRO CN(C)CC[N@H+](C)CCCN(C)C(=O)C[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000813854479 660066086 /nfs/dbraw/zinc/06/60/86/660066086.db2.gz CYXUFTCCNRZTQK-QGZVFWFLSA-N 1 0 390.355 2.759 20 0 GFADRO Cc1cc2cc(S(=O)(=O)NC[C@@]3([NH+](C)C)CCSC3)ccc2nc1Cl ZINC000815020611 660102479 /nfs/dbraw/zinc/10/24/79/660102479.db2.gz BSKJNVBUPMBVTI-KRWDZBQOSA-N 1 0 399.969 2.912 20 0 GFADRO C[N@@H+]1CCC[C@H](CCNS(=O)(=O)c2cnc(Cl)c(Br)c2)C1 ZINC000841546504 661295797 /nfs/dbraw/zinc/29/57/97/661295797.db2.gz QISWEISYLGJOSR-SNVBAGLBSA-N 1 0 396.738 2.508 20 0 GFADRO CN(C[C@@H](O)c1ccccc1Br)C(=O)NCC1([NH3+])CCCCC1 ZINC000841922788 661317824 /nfs/dbraw/zinc/31/78/24/661317824.db2.gz RRXGXOYXAQDPGZ-OAHLLOKOSA-N 1 0 384.318 2.786 20 0 GFADRO O=C(N[C@@H]1CCC[NH2+]CC1)N1CCO[C@@H](c2ccccc2Br)C1 ZINC000841977055 661318785 /nfs/dbraw/zinc/31/87/85/661318785.db2.gz GLVKRZFIJQMNGB-CZUORRHYSA-N 1 0 382.302 2.674 20 0 GFADRO CN(C[C@@H](O)c1ccccc1Br)C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000841989516 661319250 /nfs/dbraw/zinc/31/92/50/661319250.db2.gz YSLPVEXVGWHPFC-JKSUJKDBSA-N 1 0 384.318 2.641 20 0 GFADRO [NH3+]C[C@H]1CC[C@H](CNC(=O)NC[C@H](O)c2cccc(Br)c2)CC1 ZINC000841994746 661319289 /nfs/dbraw/zinc/31/92/89/661319289.db2.gz IQOXYWVWHYIBPE-XEZPLFJOSA-N 1 0 384.318 2.547 20 0 GFADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)Nc1cnc(Cl)c(C(F)(F)F)c1 ZINC000842203023 661326872 /nfs/dbraw/zinc/32/68/72/661326872.db2.gz QLTLTKFODICDNB-VIFPVBQESA-N 1 0 380.798 2.539 20 0 GFADRO [NH3+]CCC[C@@H](NS(=O)(=O)c1ccc(Cl)c2nonc21)c1ccccc1 ZINC000842482950 661341630 /nfs/dbraw/zinc/34/16/30/661341630.db2.gz XPHYBHFRCFUGFS-CYBMUJFWSA-N 1 0 380.857 2.635 20 0 GFADRO O=C([C@H](c1ccc(Br)cc1)N1CCCC1)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000842511437 661342828 /nfs/dbraw/zinc/34/28/28/661342828.db2.gz ASFXMPNSLHCTES-HKUYNNGSSA-N 1 0 392.341 2.941 20 0 GFADRO C[NH2+]C[C@@H](C)c1noc(C[C@@H](NC(C)=O)c2ccc(Br)cc2)n1 ZINC000842576902 661344021 /nfs/dbraw/zinc/34/40/21/661344021.db2.gz LKHWKSRJMSATHF-QMTHXVAHSA-N 1 0 381.274 2.575 20 0 GFADRO C[NH2+]C[C@H](C)c1noc([C@@H]2CCN(c3ccccc3Br)C2=O)n1 ZINC000842578763 661344143 /nfs/dbraw/zinc/34/41/43/661344143.db2.gz GZSWSFOQYKKBBH-QWRGUYRKSA-N 1 0 379.258 2.676 20 0 GFADRO CC(C)[C@H](C[NH2+]Cc1cc(Br)cnc1Cl)N1CCOCC1 ZINC000842665094 661347937 /nfs/dbraw/zinc/34/79/37/661347937.db2.gz NHMMDSDUHVGJRN-AWEZNQCLSA-N 1 0 376.726 2.944 20 0 GFADRO O=S(=O)(/C=C\c1cccc(Br)c1)N(C1CC1)C1CC[NH2+]CC1 ZINC000842687721 661349349 /nfs/dbraw/zinc/34/93/49/661349349.db2.gz AKSCMSMVHFTJBB-FLIBITNWSA-N 1 0 385.327 2.966 20 0 GFADRO COC(=O)CC1([NH2+]Cc2cc(Br)cnc2Cl)CCOCC1 ZINC000842689081 661349414 /nfs/dbraw/zinc/34/94/14/661349414.db2.gz ZXSOHMFHEOVNPI-UHFFFAOYSA-N 1 0 377.666 2.699 20 0 GFADRO O=S(=O)(c1c(F)c(F)c(F)c(F)c1F)N1CCC2(CC[NH2+]CC2)CC1 ZINC000842781279 661353717 /nfs/dbraw/zinc/35/37/17/661353717.db2.gz BOHCQFQRLIJAED-UHFFFAOYSA-N 1 0 384.370 2.536 20 0 GFADRO [NH3+]C1CC2(C1)CC(NS(=O)(=O)c1ccc(Cl)cc1Br)C2 ZINC000842798751 661355271 /nfs/dbraw/zinc/35/52/71/661355271.db2.gz UUIRPZYADJUDAC-UHFFFAOYSA-N 1 0 379.707 2.651 20 0 GFADRO O=S(=O)(/C=C/c1ccc(Br)cc1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000842861117 661357742 /nfs/dbraw/zinc/35/77/42/661357742.db2.gz RORCFISWWYTTRS-HKUPYCBJSA-N 1 0 385.327 2.825 20 0 GFADRO O=S(=O)(/C=C/c1cccc(Br)c1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000842861233 661357780 /nfs/dbraw/zinc/35/77/80/661357780.db2.gz UWHWVONVWORIPO-YKXBDCQTSA-N 1 0 385.327 2.825 20 0 GFADRO O=S(=O)(/C=C\c1cccc(Br)c1)N1CCC2(CC[NH2+]C2)CC1 ZINC000842871080 661358126 /nfs/dbraw/zinc/35/81/26/661358126.db2.gz KVJGTSBOVDGZEE-WCIBSUBMSA-N 1 0 385.327 2.825 20 0 GFADRO O=S(=O)(/C=C/c1ccc(Br)cc1)N1CCC2(CC[NH2+]C2)CC1 ZINC000842871885 661358141 /nfs/dbraw/zinc/35/81/41/661358141.db2.gz TWXKHQJCLLLRKP-LFYBBSHMSA-N 1 0 385.327 2.825 20 0 GFADRO Cn1cc(Br)c2ccc(S(=O)(=O)NCCCCCC[NH3+])cc21 ZINC000842914881 661360244 /nfs/dbraw/zinc/36/02/44/661360244.db2.gz IOXWWDMHWJDANL-UHFFFAOYSA-N 1 0 388.331 2.738 20 0 GFADRO [NH3+]CCCCCCNC(=O)Nc1cc(Br)cnc1-n1cccn1 ZINC000843042343 661365357 /nfs/dbraw/zinc/36/53/57/661365357.db2.gz RFWARWJWMZYARQ-UHFFFAOYSA-N 1 0 381.278 2.670 20 0 GFADRO O[C@H](C[NH2+]C[C@H](O)c1ccccc1Br)COCc1ccccc1 ZINC000843061855 661365629 /nfs/dbraw/zinc/36/56/29/661365629.db2.gz JILNXXGGKNQTBH-QAPCUYQASA-N 1 0 380.282 2.650 20 0 GFADRO COc1cc(OC)cc([C@@H](O)C[NH2+]C[C@H](O)c2ccccc2Br)c1 ZINC000843067699 661366011 /nfs/dbraw/zinc/36/60/11/661366011.db2.gz HGBHQXAYBITJEO-ROUUACIJSA-N 1 0 396.281 2.823 20 0 GFADRO Cc1cccc(OC[C@H](O)C[NH2+]C[C@H](O)c2cccc(Br)c2)c1 ZINC000843068427 661366121 /nfs/dbraw/zinc/36/61/21/661366121.db2.gz JKXODFIZOQOMQQ-AEFFLSMTSA-N 1 0 380.282 2.820 20 0 GFADRO Cc1ccccc1[C@@H](O)C[NH2+]C[C@H](O)COc1ccc(Br)cc1 ZINC000843073349 661366521 /nfs/dbraw/zinc/36/65/21/661366521.db2.gz HCZJTIDTQBIEQO-YJBOKZPZSA-N 1 0 380.282 2.820 20 0 GFADRO Cc1cccc([C@@H](O)C[NH2+]C[C@H](O)COc2cc(F)cc(Br)c2)c1 ZINC000843089486 661367141 /nfs/dbraw/zinc/36/71/41/661367141.db2.gz SJELRNZNZSXDSM-WMZOPIPTSA-N 1 0 398.272 2.960 20 0 GFADRO O[C@H](CC[NH2+]C[C@H](O)COC1CCOCC1)c1ccc(Cl)c(Cl)c1 ZINC000843100784 661367966 /nfs/dbraw/zinc/36/79/66/661367966.db2.gz ZRVFUQUIZQVOMR-SUMWQHHRSA-N 1 0 378.296 2.563 20 0 GFADRO O[C@H](C[NH2+]C[C@@H](O)c1ccc(F)cc1)COc1ccccc1Br ZINC000843098415 661367991 /nfs/dbraw/zinc/36/79/91/661367991.db2.gz WSWJVMGCBHHDCC-GDBMZVCRSA-N 1 0 384.245 2.651 20 0 GFADRO O[C@@H](C[NH2+]C[C@H](O)COc1ccc(Br)cc1)c1ccc(F)cc1 ZINC000843108772 661368386 /nfs/dbraw/zinc/36/83/86/661368386.db2.gz SMKURBWOLKHISK-RDJZCZTQSA-N 1 0 384.245 2.651 20 0 GFADRO O[C@H](C[NH2+]C[C@H]1CCC2(CCOCC2)[C@H]1O)c1ccc(Br)cc1 ZINC000843112093 661368729 /nfs/dbraw/zinc/36/87/29/661368729.db2.gz DGPQKDBKRVYUAH-OIISXLGYSA-N 1 0 384.314 2.640 20 0 GFADRO O[C@H](C[NH2+][C@H]1COc2ccccc2[C@H]1O)COc1ccc(Cl)c(Cl)c1 ZINC000843117735 661369746 /nfs/dbraw/zinc/36/97/46/661369746.db2.gz SRGKDNNNYIBVMU-DPZKZMLUSA-N 1 0 384.259 2.817 20 0 GFADRO Cn1ccnc1[C@@H]([NH2+]C[C@@H](O)c1ccccc1Br)C(C)(C)CO ZINC000843119495 661370103 /nfs/dbraw/zinc/37/01/03/661370103.db2.gz UUKVCKIHOKRRGM-HUUCEWRRSA-N 1 0 382.302 2.565 20 0 GFADRO CC(C)[C@@H]([NH3+])c1noc(CCNC(=O)c2cc(F)ccc2Br)n1 ZINC000843153259 661371039 /nfs/dbraw/zinc/37/10/39/661371039.db2.gz NOZWQZZHUCAJMC-CYBMUJFWSA-N 1 0 385.237 2.600 20 0 GFADRO C[C@H](Cc1nc(CS(=O)(=O)c2ccc(Cl)cc2)no1)[C@H]1CCC[NH2+]C1 ZINC000843196666 661371635 /nfs/dbraw/zinc/37/16/35/661371635.db2.gz IVTIYAAAXIJTKC-OLZOCXBDSA-N 1 0 383.901 2.875 20 0 GFADRO Ic1cc(-c2noc(CC3CC[NH2+]CC3)n2)cs1 ZINC000843213188 661373074 /nfs/dbraw/zinc/37/30/74/661373074.db2.gz REJTZZUEHMSXTB-UHFFFAOYSA-N 1 0 375.235 2.945 20 0 GFADRO [NH3+]CCCc1nc(CC(=O)Nc2nc(-c3ccccc3Cl)cs2)no1 ZINC000843215465 661373353 /nfs/dbraw/zinc/37/33/53/661373353.db2.gz IMPUQLAUVANKIO-UHFFFAOYSA-N 1 0 377.857 2.919 20 0 GFADRO C[C@H](NC(=O)Cc1noc([C@]2(F)CC[NH2+]C2)n1)c1ccc(Cl)cc1Cl ZINC000843226245 661373854 /nfs/dbraw/zinc/37/38/54/661373854.db2.gz VTHMFAAXBQQFQK-FVMDXXJSSA-N 1 0 387.242 2.954 20 0 GFADRO CN(CCN1CC[NH2+]CC1)C(=O)/C=C(\c1ccc(Cl)cc1)C(F)(F)F ZINC000843338542 661378160 /nfs/dbraw/zinc/37/81/60/661378160.db2.gz PAXKPJOTVAMIAA-NTCAYCPXSA-N 1 0 375.822 2.649 20 0 GFADRO CC(C)([NH3+])c1noc(CN2CCO[C@H](c3ccccc3Br)C2)n1 ZINC000843358504 661378589 /nfs/dbraw/zinc/37/85/89/661378589.db2.gz CFUIWGZSGKVBKQ-ZDUSSCGKSA-N 1 0 381.274 2.599 20 0 GFADRO O=S(=O)(CCN1CC[NH2+]C[C@@H]1c1cccc(F)c1)c1ccc(Cl)cc1 ZINC000843378599 661378834 /nfs/dbraw/zinc/37/88/34/661378834.db2.gz GXBMWDAVJDNKEO-GOSISDBHSA-N 1 0 382.888 2.899 20 0 GFADRO Cc1cc(NC(=O)CO[C@@H]2CCC[NH2+]C2)n(-c2cccc(Br)c2)n1 ZINC000843389185 661379099 /nfs/dbraw/zinc/37/90/99/661379099.db2.gz LSDXJFQCABHGTO-OAHLLOKOSA-N 1 0 393.285 2.650 20 0 GFADRO COCC[N@H+]1[C@H](C)CN(Cc2cc(O)c(OC)cc2Br)C[C@@H]1C ZINC000843426351 661381059 /nfs/dbraw/zinc/38/10/59/661381059.db2.gz UGNCWEUPHHNDMK-BETUJISGSA-N 1 0 387.318 2.704 20 0 GFADRO [NH3+]C1(C(=O)NCCc2ccc(Br)cc2F)Cc2ccccc2C1 ZINC000843434787 661381560 /nfs/dbraw/zinc/38/15/60/661381560.db2.gz OSWHNVYWIOUCPX-UHFFFAOYSA-N 1 0 377.257 2.743 20 0 GFADRO C[C@@H](CC[NH3+])NC(=O)c1ccccc1N(C)C(=O)c1ccc(Br)o1 ZINC000843454589 661382102 /nfs/dbraw/zinc/38/21/02/661382102.db2.gz CWQIMKVZGVYYEB-NSHDSACASA-N 1 0 394.269 2.786 20 0 GFADRO C[C@H]([NH3+])[C@H](C)NC(=O)c1ccccc1N(C)C(=O)c1ccc(Br)o1 ZINC000843487461 661383152 /nfs/dbraw/zinc/38/31/52/661383152.db2.gz PZYJIVWOXMACSX-QWRGUYRKSA-N 1 0 394.269 2.784 20 0 GFADRO O=C(CO[C@H]1CCC[NH2+]C1)N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000843494313 661383363 /nfs/dbraw/zinc/38/33/63/661383363.db2.gz ASAMRDXNBPERKH-RYUDHWBXSA-N 1 0 377.432 2.637 20 0 GFADRO CC1(C)C[NH2+][C@H]1C1CCN(C(=O)c2sccc2S(=O)(=O)C(F)F)CC1 ZINC000843502318 661383583 /nfs/dbraw/zinc/38/35/83/661383583.db2.gz XYNGTSAJAHPIOZ-ZDUSSCGKSA-N 1 0 392.493 2.595 20 0 GFADRO O=C(/C=C\c1ccc(I)o1)N[C@@H]1CC[NH2+]C12CCCC2 ZINC000843513286 661383998 /nfs/dbraw/zinc/38/39/98/661383998.db2.gz AIHHDTAUJKBKCX-TXNVCOODSA-N 1 0 386.233 2.688 20 0 GFADRO CC[N@H+](C)C[C@H]1CCN(CN2CC(c3ccc(Br)cc3)=CC2=O)C1 ZINC000844693610 661434277 /nfs/dbraw/zinc/43/42/77/661434277.db2.gz FLJWYLHRYPDENQ-OAHLLOKOSA-N 1 0 392.341 2.906 20 0 GFADRO C[N@@H+]1CCC[C@@H]2CN(Cn3nc(-c4ccc(Cl)s4)ccc3=O)CC[C@H]21 ZINC000844697528 661435114 /nfs/dbraw/zinc/43/51/14/661435114.db2.gz JKUXWZYCJQCERN-UKRRQHHQSA-N 1 0 378.929 2.999 20 0 GFADRO CC(C)N1CCO[C@H](C(=[NH2+])NOCc2cc(Br)cc(F)c2F)C1 ZINC000844765766 661438627 /nfs/dbraw/zinc/43/86/27/661438627.db2.gz DKKNKIPNTKVRBI-ZDUSSCGKSA-N 1 0 392.244 2.835 20 0 GFADRO Brc1ccc(C2(c3noc([C@]45C[NH2+]C[C@H]4COC5)n3)CCC2)s1 ZINC000844919828 661449258 /nfs/dbraw/zinc/44/92/58/661449258.db2.gz NKSOFZKPOUNDKX-QFYYESIMSA-N 1 0 396.310 2.851 20 0 GFADRO C[C@@H]1CN(C(=O)NCCC[C@H]2CC2(Cl)Cl)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000845673510 661488234 /nfs/dbraw/zinc/48/82/34/661488234.db2.gz VRDUABZDSTUGPJ-PMPSAXMXSA-N 1 0 391.387 2.628 20 0 GFADRO CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)OC[C@H]2CC[N@@H+]2C(C)(C)C)c1 ZINC000845737352 661494914 /nfs/dbraw/zinc/49/49/14/661494914.db2.gz GEZTWWNSYCGZTJ-GFCCVEGCSA-N 1 0 388.917 2.620 20 0 GFADRO C[C@@H]1[C@H](COC(=O)COc2ccc(I)cc2)CC[N@@H+]1C ZINC000845814632 661498352 /nfs/dbraw/zinc/49/83/52/661498352.db2.gz UGEGWTWWGVNMMM-NEPJUHHUSA-N 1 0 389.233 2.553 20 0 GFADRO C[NH+](C)CCc1ccc(NC(=O)C(=O)NCCC[C@H]2CC2(Cl)Cl)cc1 ZINC000846180445 661536183 /nfs/dbraw/zinc/53/61/83/661536183.db2.gz RVINGIQXCXYKSO-AWEZNQCLSA-N 1 0 386.323 2.819 20 0 GFADRO C[NH+](C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@]1(C)CC1(Cl)Cl ZINC000846242501 661540370 /nfs/dbraw/zinc/54/03/70/661540370.db2.gz SMMIKPRVJQPFRZ-NHYWBVRUSA-N 1 0 382.332 2.532 20 0 GFADRO C[NH+]1CCC(ONC(=O)c2[nH]nc(-c3ccccc3)c2Br)CC1 ZINC000846648865 661560734 /nfs/dbraw/zinc/56/07/34/661560734.db2.gz YZOBWQUEUGWJBP-UHFFFAOYSA-N 1 0 379.258 2.595 20 0 GFADRO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)NCCC1CC[NH2+]CC1 ZINC000846700727 661562192 /nfs/dbraw/zinc/56/21/92/661562192.db2.gz GVASRJWGHQEODB-UHFFFAOYSA-N 1 0 393.281 2.983 20 0 GFADRO CC1(C)C(=O)N[C@@H]1C1CC[NH+](C[C@H](O)c2ccccc2Br)CC1 ZINC000846930945 661571240 /nfs/dbraw/zinc/57/12/40/661571240.db2.gz WDOGXTAWZSNYLG-JKSUJKDBSA-N 1 0 381.314 2.719 20 0 GFADRO C[NH+](C)CCN(Cc1ccccn1)C[C@@H](O)c1ccccc1Br ZINC000846939596 661571607 /nfs/dbraw/zinc/57/16/07/661571607.db2.gz GGYLJIAPEXGLKO-GOSISDBHSA-N 1 0 378.314 2.941 20 0 GFADRO O=C(NC[C@@H](O)c1cccc(Br)c1)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000847446906 661592767 /nfs/dbraw/zinc/59/27/67/661592767.db2.gz KWACPYSKUWQPNW-BRWVUGGUSA-N 1 0 396.329 2.799 20 0 GFADRO C[NH+](C)CCOc1cc(CNC(=O)c2nc(Cl)sc2Cl)ccn1 ZINC000847628266 661602356 /nfs/dbraw/zinc/60/23/56/661602356.db2.gz FHHJPZFCZIUKJY-UHFFFAOYSA-N 1 0 375.281 2.715 20 0 GFADRO C[N@@H+]1CC[C@H](CCOC(=O)[C@@H]2CCN(c3ccccc3Br)C2=O)C1 ZINC000847825835 661612221 /nfs/dbraw/zinc/61/22/21/661612221.db2.gz RQOHZQGNWUUYCW-ZIAGYGMSSA-N 1 0 395.297 2.687 20 0 GFADRO O=C([C@H]1CC[N@H+](Cc2ccccc2)C1)N1CCn2c(Br)cnc2C1 ZINC000847912058 661616177 /nfs/dbraw/zinc/61/61/77/661616177.db2.gz ZQWYACIIWUWTTA-HNNXBMFYSA-N 1 0 389.297 2.510 20 0 GFADRO COc1ccc(NC(=[NH2+])NCc2ccc3c(c2)CCS3(=O)=O)cc1Cl ZINC000849087728 661691146 /nfs/dbraw/zinc/69/11/46/661691146.db2.gz LDBYNFGZXCHUET-UHFFFAOYSA-N 1 0 379.869 2.815 20 0 GFADRO COc1ccc(Br)cc1C[C@@H](CO)CNC(=[NH2+])N1CCC[C@H](C)C1 ZINC000849116249 661693164 /nfs/dbraw/zinc/69/31/64/661693164.db2.gz IGCBENUSZXPRPU-UONOGXRCSA-N 1 0 398.345 2.865 20 0 GFADRO CN(CCC[NH+](C)C)CCNC(=S)Nc1ccc(OC(F)(F)F)cc1 ZINC000849280571 661702359 /nfs/dbraw/zinc/70/23/59/661702359.db2.gz XBHYTLFBNPLDPU-UHFFFAOYSA-N 1 0 378.464 2.755 20 0 GFADRO CN(C)C(=O)CN(CC[NH+](C)C)C(=S)Nc1ccc(Cl)cc1Cl ZINC000849292955 661704151 /nfs/dbraw/zinc/70/41/51/661704151.db2.gz LJEJFJCMSSNKDS-UHFFFAOYSA-N 1 0 377.341 2.642 20 0 GFADRO CO[C@H](C[NH2+]C[C@](C)(O)c1ccc(Br)cc1Cl)[C@H]1CCOC1 ZINC000849326378 661705778 /nfs/dbraw/zinc/70/57/78/661705778.db2.gz ABRNQBRXCUCFMY-XZJROXQQSA-N 1 0 392.721 2.951 20 0 GFADRO CC(=O)NCc1ccc(C[NH2+]C[C@H](O)c2cccc(Br)c2)cc1 ZINC000849326962 661706145 /nfs/dbraw/zinc/70/61/45/661706145.db2.gz HBMDBKPREVIQQX-SFHVURJKSA-N 1 0 377.282 2.908 20 0 GFADRO C[C@@H]1CCC[N@H+](CCN2C(=O)N[C@H](c3ccccc3Br)C2=O)C1 ZINC000849351606 661708470 /nfs/dbraw/zinc/70/84/70/661708470.db2.gz JILVOTGVYKUSNL-IUODEOHRSA-N 1 0 380.286 2.774 20 0 GFADRO COC(=O)c1cc(S(=O)(=O)NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)ccc1Cl ZINC000849411673 661718447 /nfs/dbraw/zinc/71/84/47/661718447.db2.gz RIUDBOFZGYGCMW-LBPRGKRZSA-N 1 0 388.917 2.525 20 0 GFADRO CC(C)[N@@H+]1CC[C@H](C(=O)NCc2cnc(Cl)s2)[C@@H](c2cnn(C)c2)C1 ZINC000849585388 661734762 /nfs/dbraw/zinc/73/47/62/661734762.db2.gz LNQWMYROKDSQHA-LSDHHAIUSA-N 1 0 381.933 2.660 20 0 GFADRO Cc1c(Br)cncc1C[NH2+]Cc1cccc(NS(C)(=O)=O)c1 ZINC000850017842 661762120 /nfs/dbraw/zinc/76/21/20/661762120.db2.gz PWPXRJMNLUMWCV-UHFFFAOYSA-N 1 0 384.299 2.814 20 0 GFADRO CSCC1(CC[NH2+]Cc2c(C)nn([C@H]3CCS(=O)(=O)C3)c2Cl)CC1 ZINC000850356034 661771920 /nfs/dbraw/zinc/77/19/20/661771920.db2.gz NWYOYMIUOZVVRN-ZDUSSCGKSA-N 1 0 391.990 2.827 20 0 GFADRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)C(=O)Nc2cccc(Br)c2F)C1 ZINC000850391249 661773851 /nfs/dbraw/zinc/77/38/51/661773851.db2.gz JWEUKMVTHSSGRS-MNOVXSKESA-N 1 0 386.265 2.516 20 0 GFADRO C[C@H](CC[S@](C)=O)[NH2+][C@@H]1CCN(C(=O)C(F)(F)F)Cc2ccccc21 ZINC000850445243 661776420 /nfs/dbraw/zinc/77/64/20/661776420.db2.gz QNQTZVHHHWPJKB-VNFRKBOCSA-N 1 0 376.444 2.769 20 0 GFADRO C[C@H](CC[S@](C)=O)[NH2+][C@H]1CCN(C(=O)C(F)(F)F)Cc2ccccc21 ZINC000850445245 661776514 /nfs/dbraw/zinc/77/65/14/661776514.db2.gz QNQTZVHHHWPJKB-ZIBDJOFNSA-N 1 0 376.444 2.769 20 0 GFADRO O=S(=O)(c1ccc(OCC[NH2+][C@@H]2COC3(CCC3)C2)cc1)C(F)(F)F ZINC000850446741 661776818 /nfs/dbraw/zinc/77/68/18/661776818.db2.gz ARJLNDMJGKTFGK-LBPRGKRZSA-N 1 0 379.400 2.660 20 0 GFADRO C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1[NH2+]CC[S@](=O)CC(F)(F)F ZINC000850491956 661778940 /nfs/dbraw/zinc/77/89/40/661778940.db2.gz BJKIPJKVHBNAQL-DSGZJRDPSA-N 1 0 386.480 2.923 20 0 GFADRO CN1CCO[C@H]([C@@H]([NH2+]CC[S@](=O)CC(F)(F)F)c2ccc(Cl)cc2)C1 ZINC000850497430 661779453 /nfs/dbraw/zinc/77/94/53/661779453.db2.gz USKVPFKNJVIUDH-XHQUFGICSA-N 1 0 398.878 2.612 20 0 GFADRO CN(C1CCC([NH3+])CC1)S(=O)(=O)c1cc(Cl)cc(Br)c1 ZINC000850585040 661782071 /nfs/dbraw/zinc/78/20/71/661782071.db2.gz UTBHPOZULJZVPN-UHFFFAOYSA-N 1 0 381.723 2.993 20 0 GFADRO COc1c(Br)cc(Cl)cc1S(=O)(=O)NCC[C@@H]([NH3+])C(C)C ZINC000850593413 661783038 /nfs/dbraw/zinc/78/30/38/661783038.db2.gz PWQMFOHQYLQOKK-LLVKDONJSA-N 1 0 399.738 2.763 20 0 GFADRO CCC[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2cccc(C3SCCS3)c2)C1 ZINC000850681161 661785405 /nfs/dbraw/zinc/78/54/05/661785405.db2.gz BCOIKCJSQUPXMI-HNNXBMFYSA-N 1 0 379.551 2.704 20 0 GFADRO CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccc3nc(SC)sc3c2)C1 ZINC000850682063 661785681 /nfs/dbraw/zinc/78/56/81/661785681.db2.gz MIDMMCZKNMGRBX-GFCCVEGCSA-N 1 0 378.523 2.557 20 0 GFADRO O=C(Nc1ccc([C@@H]2C[NH2+]CCO2)cc1)N[C@@H]1CC[C@H]2SCCS[C@H]12 ZINC000850764904 661790759 /nfs/dbraw/zinc/79/07/59/661790759.db2.gz HKNAGOHUZLJNDB-YYIAUSFCSA-N 1 0 379.551 2.849 20 0 GFADRO [NH3+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)c1cc(Br)cc2c1OCCO2 ZINC000851628175 661826699 /nfs/dbraw/zinc/82/66/99/661826699.db2.gz LKDCUDAJBDHMTJ-YHWZYXNKSA-N 1 0 381.270 2.705 20 0 GFADRO [NH3+]C[C@@H](NC(=O)c1cccc(S(=O)(=O)C(F)(F)F)c1)C1CCCCC1 ZINC000851633608 661827026 /nfs/dbraw/zinc/82/70/26/661827026.db2.gz ORGYDGSLFXAIFE-CQSZACIVSA-N 1 0 378.416 2.618 20 0 GFADRO O=C(CC[C@@H]1CC1(Cl)Cl)Nc1ccccc1OCCN1CC[NH2+]CC1 ZINC000851638764 661827433 /nfs/dbraw/zinc/82/74/33/661827433.db2.gz KVYOMHZJEXNWTA-CQSZACIVSA-N 1 0 386.323 2.883 20 0 GFADRO CCOP(=O)(OCC)[C@@H](O)C[N@H+](C)[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000851711062 661828838 /nfs/dbraw/zinc/82/88/38/661828838.db2.gz VGKXDOUKWKOARR-XJKSGUPXSA-N 1 0 393.442 2.667 20 0 GFADRO CC[N@H+](Cc1cc(Br)ccc1F)C[C@@](O)(C(N)=O)c1ccccc1 ZINC000851738821 661830071 /nfs/dbraw/zinc/83/00/71/661830071.db2.gz UCOSZAWXARLTJY-SFHVURJKSA-N 1 0 395.272 2.783 20 0 GFADRO C[C@H](c1ccccc1Br)[N@H+](C)C[C@](O)(C(N)=O)c1ccccc1 ZINC000851738602 661830081 /nfs/dbraw/zinc/83/00/81/661830081.db2.gz MCPFATXQRYXMGA-FZKQIMNGSA-N 1 0 377.282 2.815 20 0 GFADRO CCC[N@@H+]1CC[C@H](NS(=O)(=O)c2c(OC)ccc3nc(Cl)ccc32)C1 ZINC000851821696 661835051 /nfs/dbraw/zinc/83/50/51/661835051.db2.gz XZAKMUWPITUWDM-LBPRGKRZSA-N 1 0 383.901 2.659 20 0 GFADRO O=S(=O)(NC[C@H]1CCC[N@H+](CC2CC2)C1)c1c(Cl)ccnc1Cl ZINC000851894949 661844080 /nfs/dbraw/zinc/84/40/80/661844080.db2.gz QVSWKXBFFSSHSX-GFCCVEGCSA-N 1 0 378.325 2.789 20 0 GFADRO CCOP(=O)(OCC)[C@H](O)C[NH2+][C@@H](CO)c1ccc(Br)cc1 ZINC000851917443 661845985 /nfs/dbraw/zinc/84/59/85/661845985.db2.gz DNJZFNJLZWFWEJ-KBPBESRZSA-N 1 0 396.218 2.657 20 0 GFADRO CCOP(=O)(OCC)[C@@H](O)C[N@@H+]1CCC[C@H](Oc2ncccc2F)C1 ZINC000851992361 661848183 /nfs/dbraw/zinc/84/81/83/661848183.db2.gz FDKZDGSQNHZLKO-DZGCQCFKSA-N 1 0 376.365 2.648 20 0 GFADRO O=C(CC[N@@H+]1CCC2=C(CCC(=O)N2)C1)Nc1ccccc1Br ZINC000852297142 661859624 /nfs/dbraw/zinc/85/96/24/661859624.db2.gz DZMJLBABMUVZHG-UHFFFAOYSA-N 1 0 378.270 2.648 20 0 GFADRO C[C@]12CC[N@H+](CCCN3CCOC3=O)C[C@H]1C2(Br)Br ZINC000852335989 661861225 /nfs/dbraw/zinc/86/12/25/661861225.db2.gz RSWKNCVHDLHMKB-PWSUYJOCSA-N 1 0 396.123 2.657 20 0 GFADRO CO[C@@]1(CO)CCC[N@H+](C[C@@](C)(O)c2ccc(Br)cc2Cl)C1 ZINC000852409372 661863467 /nfs/dbraw/zinc/86/34/67/661863467.db2.gz ORZNTARLBNJHNU-CVEARBPZSA-N 1 0 392.721 2.783 20 0 GFADRO C[N@H+](C[C@H]1COCCO1)C[C@](C)(O)c1ccc(Br)cc1Cl ZINC000852498715 661865914 /nfs/dbraw/zinc/86/59/14/661865914.db2.gz PCHPYDGPAZDVJV-WFASDCNBSA-N 1 0 378.694 2.657 20 0 GFADRO Cn1cc(C[C@H]2CCC[C@@H]2[NH2+]CCS(=O)(=O)c2ccc(Cl)cc2)cn1 ZINC000852562885 661867135 /nfs/dbraw/zinc/86/71/35/661867135.db2.gz LOZVVLQGKYNMPA-QAPCUYQASA-N 1 0 381.929 2.848 20 0 GFADRO CCC[N@@H+]1CC[C@@H](NC(=O)NCc2ccc(C(=O)OC)cc2Br)C1 ZINC000852628343 661869161 /nfs/dbraw/zinc/86/91/61/661869161.db2.gz DXSHEBNOXKWTER-CQSZACIVSA-N 1 0 398.301 2.519 20 0 GFADRO CC(C)(CNC(=O)[C@@H]1CCO[C@H]1C[NH3+])Sc1ccc(Br)cc1 ZINC000852848653 661875728 /nfs/dbraw/zinc/87/57/28/661875728.db2.gz ORUWTJGKSMBAGA-KGLIPLIRSA-N 1 0 387.343 2.800 20 0 GFADRO C[NH2+]CCCC(=O)N1CCC(NC(=O)Cc2cc(Cl)ccc2Cl)CC1 ZINC000852869536 661876019 /nfs/dbraw/zinc/87/60/19/661876019.db2.gz CIGRQXVLMJWYQG-UHFFFAOYSA-N 1 0 386.323 2.643 20 0 GFADRO C[C@H]1CCN(C(=O)c2cnn(-c3ccccc3)c2Br)C[C@@H]1C[NH3+] ZINC000852891544 661876654 /nfs/dbraw/zinc/87/66/54/661876654.db2.gz SSCYJAUDUGZFHP-STQMWFEESA-N 1 0 377.286 2.692 20 0 GFADRO Cc1cc(N2CC[C@@H]([NH2+]C[C@H](O)c3ccccn3)C2=O)ccc1Br ZINC000853105774 661882468 /nfs/dbraw/zinc/88/24/68/661882468.db2.gz WQIYXBKSUGISMG-SJORKVTESA-N 1 0 390.281 2.581 20 0 GFADRO O=S(=O)(CC[NH2+]CC1SCCS1)c1cccc(Br)c1 ZINC000853119514 661882800 /nfs/dbraw/zinc/88/28/00/661882800.db2.gz IZGSXVKYYZUILN-UHFFFAOYSA-N 1 0 382.370 2.619 20 0 GFADRO Brc1ccc2nnc(NC3CC[NH+](C[C@H]4CCCO4)CC3)n2c1 ZINC000853161364 661884231 /nfs/dbraw/zinc/88/42/31/661884231.db2.gz XOWJRTYNZHJNFN-CQSZACIVSA-N 1 0 380.290 2.547 20 0 GFADRO CCc1c(Cl)nc(CS(C)(=O)=O)nc1N[C@H](C)C[NH+]1CCC(C)CC1 ZINC000853867707 661905290 /nfs/dbraw/zinc/90/52/90/661905290.db2.gz OYPILZQQVOPAJN-CYBMUJFWSA-N 1 0 388.965 2.769 20 0 GFADRO C[NH+]1CCN(c2ccc(-c3noc(-c4coc(Br)c4)n3)nc2)CC1 ZINC000854086943 661914115 /nfs/dbraw/zinc/91/41/15/661914115.db2.gz VXAFVVSDYPSROC-UHFFFAOYSA-N 1 0 390.241 2.906 20 0 GFADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)c2cc(Cl)nc(C(F)(F)F)c2)C1 ZINC000854306289 661923102 /nfs/dbraw/zinc/92/31/02/661923102.db2.gz FMHAACGPIUZLPH-GFCCVEGCSA-N 1 0 379.810 2.840 20 0 GFADRO CN(C[C@@H](O)c1cccc(Br)c1)C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000854312892 661924090 /nfs/dbraw/zinc/92/40/90/661924090.db2.gz HGBMBZMIFINYSI-JKSUJKDBSA-N 1 0 398.345 2.997 20 0 GFADRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)[C@@]1(C)CC1(Br)Br ZINC000854430839 661932743 /nfs/dbraw/zinc/93/27/43/661932743.db2.gz MEMNTRBUIFWVCV-NTZNESFSSA-N 1 0 394.151 2.968 20 0 GFADRO C[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@]3(C)CC3(Br)Br)C2)C1 ZINC000854659618 661946075 /nfs/dbraw/zinc/94/60/75/661946075.db2.gz OSJXPFYLEYEEEV-OLZOCXBDSA-N 1 0 394.151 2.827 20 0 GFADRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@]3(C)CC3(Br)Br)C2)C1 ZINC000854659617 661946181 /nfs/dbraw/zinc/94/61/81/661946181.db2.gz OSJXPFYLEYEEEV-CHWSQXEVSA-N 1 0 394.151 2.827 20 0 GFADRO COc1cc(C(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)cnc1Br ZINC000855809985 662009070 /nfs/dbraw/zinc/00/90/70/662009070.db2.gz QGPPMJZIIINIDP-ZDUSSCGKSA-N 1 0 382.302 2.990 20 0 GFADRO O=C([C@H]1CC[N@H+](Cc2ccccc2)C1)N1CCn2ncc(Br)c2C1 ZINC000856013569 662016641 /nfs/dbraw/zinc/01/66/41/662016641.db2.gz VUKRFPZINSAATO-HNNXBMFYSA-N 1 0 389.297 2.510 20 0 GFADRO C[NH+](C)CCC[C@@H]1CN(C(=O)c2cc(C(F)(F)F)cnc2Cl)CCO1 ZINC000856428712 662033387 /nfs/dbraw/zinc/03/33/87/662033387.db2.gz DAYSBRFJLZHNMD-GFCCVEGCSA-N 1 0 379.810 2.937 20 0 GFADRO C[NH+](C)CCC[C@@H]1CN(C(=O)c2cc(Br)cnc2Cl)CCO1 ZINC000856428726 662033439 /nfs/dbraw/zinc/03/34/39/662033439.db2.gz DGDXSIVYEGKXQV-GFCCVEGCSA-N 1 0 390.709 2.680 20 0 GFADRO Cn1cc(CNc2cc(N3CCOCC3)c(Br)c[nH+]2)c(Cl)n1 ZINC000856790183 662044399 /nfs/dbraw/zinc/04/43/99/662044399.db2.gz TWLRUCQMONJBDP-UHFFFAOYSA-N 1 0 386.681 2.680 20 0 GFADRO C[C@H](NC(=O)N1CC(O)(c2cccc(Br)c2)C1)C(C)(C)C[NH+](C)C ZINC000856877010 662048896 /nfs/dbraw/zinc/04/88/96/662048896.db2.gz MIBUNKDXTMDNCE-ZDUSSCGKSA-N 1 0 398.345 2.638 20 0 GFADRO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000857009253 662057954 /nfs/dbraw/zinc/05/79/54/662057954.db2.gz XKCSHVBAOVYDGT-ZMZPIMSZSA-N 1 0 391.265 2.817 20 0 GFADRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1c(Br)nc2n1CCOC2 ZINC000857090796 662063285 /nfs/dbraw/zinc/06/32/85/662063285.db2.gz AMFNOJIUCGWMBX-CYBMUJFWSA-N 1 0 399.333 2.560 20 0 GFADRO O=C(NCc1noc(CC[C@H]2CCC[NH2+]C2)n1)c1ccc(Br)cc1 ZINC000857252154 662070525 /nfs/dbraw/zinc/07/05/25/662070525.db2.gz BIZVCWAVFQYYEF-GFCCVEGCSA-N 1 0 393.285 2.694 20 0 GFADRO [NH3+]CCc1ccc(CNC(=O)c2nc(C3CC3)ncc2Br)cc1 ZINC000857764255 662090207 /nfs/dbraw/zinc/09/02/07/662090207.db2.gz NIWRJBGHTXPFMR-UHFFFAOYSA-N 1 0 375.270 2.548 20 0 GFADRO CCOCCOCC(=O)N1C[C@@H]([NH+](C)C)CCc2cc(Br)ccc21 ZINC000857883383 662093820 /nfs/dbraw/zinc/09/38/20/662093820.db2.gz RWXFKJSXCLLGMX-INIZCTEOSA-N 1 0 399.329 2.712 20 0 GFADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NCc1cn(C)nc1Br ZINC000858101825 662098840 /nfs/dbraw/zinc/09/88/40/662098840.db2.gz HCLVFBWUXMKQKU-UHFFFAOYSA-N 1 0 378.318 2.855 20 0 GFADRO Cn1cc(C[NH2+]C[C@H](O)c2ccc(OC(F)(F)F)cc2)c(Br)n1 ZINC000858116216 662099364 /nfs/dbraw/zinc/09/93/64/662099364.db2.gz JMVXMEXWVZBNLB-LBPRGKRZSA-N 1 0 394.191 2.904 20 0 GFADRO Brc1ccc(-c2n[nH]cc2CNC[C@H]2C[N@@H+]3CCC[C@H]3CO2)s1 ZINC000858127374 662100109 /nfs/dbraw/zinc/10/01/09/662100109.db2.gz ZBAGJPVQDMYHGU-STQMWFEESA-N 1 0 397.342 2.854 20 0 GFADRO CC(C)Oc1cc(Cl)c(C[NH2+]CCOCCS(C)(=O)=O)cc1Cl ZINC000858145917 662100952 /nfs/dbraw/zinc/10/09/52/662100952.db2.gz JJWCUFPMTYJBPF-UHFFFAOYSA-N 1 0 384.325 2.931 20 0 GFADRO Cn1cc(C[NH2+]C[C@@H](O)c2ccccc2Br)c(Br)n1 ZINC000858175255 662103330 /nfs/dbraw/zinc/10/33/30/662103330.db2.gz KQSUMRYQUMXYFU-GFCCVEGCSA-N 1 0 389.091 2.768 20 0 GFADRO COCO[C@H](C)c1cc(F)c(C[NH2+]C[C@@H]2CCC(=O)N2)cc1Br ZINC000858192952 662104142 /nfs/dbraw/zinc/10/41/42/662104142.db2.gz RVSFQSDORBHCBN-PWSUYJOCSA-N 1 0 389.265 2.638 20 0 GFADRO Cn1c(Cl)cnc1C[NH2+][C@@]1(CO)CCc2cc(Br)ccc2C1 ZINC000858240232 662105839 /nfs/dbraw/zinc/10/58/39/662105839.db2.gz FJWFRNFWWVDZNR-INIZCTEOSA-N 1 0 384.705 2.846 20 0 GFADRO COc1ncc(Br)cc1CNC(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000858311013 662107801 /nfs/dbraw/zinc/10/78/01/662107801.db2.gz DHMFFRFOIVCJNZ-KGLIPLIRSA-N 1 0 385.306 2.525 20 0 GFADRO COc1ccc2nc(Cl)ccc2c1S(=O)(=O)N1CC[NH2+]C[C@@H]1C(C)C ZINC000858615225 662116381 /nfs/dbraw/zinc/11/63/81/662116381.db2.gz GCBBKPLTSYYNQO-CQSZACIVSA-N 1 0 383.901 2.515 20 0 GFADRO CC[C@@H]1[NH2+]CC[C@H]1NS(=O)(=O)c1cc(Cl)cc(Br)c1OC ZINC000858624684 662117095 /nfs/dbraw/zinc/11/70/95/662117095.db2.gz KDSZTTZCTNUJJR-WDEREUQCSA-N 1 0 397.722 2.530 20 0 GFADRO C[C@H]([NH3+])CN(C)S(=O)(=O)c1cc(Br)c(Cl)cc1Cl ZINC000858640505 662117585 /nfs/dbraw/zinc/11/75/85/662117585.db2.gz OIEDPXNAUMEXSL-LURJTMIESA-N 1 0 376.103 2.724 20 0 GFADRO C[N@@H+]1CCCC[C@@H](CNC(=O)N[C@H](CO)c2ccc(Br)cc2)C1 ZINC000858767017 662122353 /nfs/dbraw/zinc/12/23/53/662122353.db2.gz YXSZPPVQBILMBQ-XJKSGUPXSA-N 1 0 384.318 2.514 20 0 GFADRO COC(=O)Nc1ccc(S(=O)(=O)NC[C@@H](C)C[NH+]2CCCC2)cc1Cl ZINC000858909542 662127234 /nfs/dbraw/zinc/12/72/34/662127234.db2.gz DVDAVEYTKQQPHD-GFCCVEGCSA-N 1 0 389.905 2.529 20 0 GFADRO COC(=O)Nc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C[NH+](C)C)cc1Cl ZINC000859121126 662138816 /nfs/dbraw/zinc/13/88/16/662138816.db2.gz TXMLEEOZKKWYKH-LBPRGKRZSA-N 1 0 391.921 2.773 20 0 GFADRO COC(=O)Nc1ccc(S(=O)(=O)NC(C)(C)CCC[NH+](C)C)cc1Cl ZINC000859178164 662142997 /nfs/dbraw/zinc/14/29/97/662142997.db2.gz CBNKKJGZECKWSV-UHFFFAOYSA-N 1 0 391.921 2.917 20 0 GFADRO C[C@@H](CNC(=O)/C=C/c1csc(C(F)(F)F)c1)C[NH+]1CCN(C)CC1 ZINC000859361946 662156527 /nfs/dbraw/zinc/15/65/27/662156527.db2.gz UHRLRHXYUDYMFB-OOPCZODUSA-N 1 0 375.460 2.780 20 0 GFADRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2c(Cl)nn(C)c2Cl)[C@H](C)C1 ZINC000859417369 662161277 /nfs/dbraw/zinc/16/12/77/662161277.db2.gz RGZRAXJBDJRVIS-VXGBXAGGSA-N 1 0 377.316 2.594 20 0 GFADRO C[C@@H]([NH3+])CN(C)C(=O)Nc1cc(Br)cnc1OCC(F)(F)F ZINC000859650841 662171209 /nfs/dbraw/zinc/17/12/09/662171209.db2.gz YXAJBSTYMPXFRF-SSDOTTSWSA-N 1 0 385.184 2.596 20 0 GFADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)[C@H]1C[C@]1(C)Br ZINC000859750291 662174406 /nfs/dbraw/zinc/17/44/06/662174406.db2.gz TXBYNNRRIABBHE-KDOFPFPSSA-N 1 0 396.329 2.949 20 0 GFADRO O=C(NCCCC[N@H+]1CCC[C@H]1CO)c1ccc(SC(F)(F)F)nc1 ZINC000860254330 662194234 /nfs/dbraw/zinc/19/42/34/662194234.db2.gz MFZFPMFWSMCISY-ZDUSSCGKSA-N 1 0 377.432 2.660 20 0 GFADRO CO[C@@H]1C[N@H+](C)[C@@](C)(COC(=O)c2cccc(I)c2)C1 ZINC000861339820 662241481 /nfs/dbraw/zinc/24/14/81/662241481.db2.gz WWUHMNPXMVADMJ-DZGCQCFKSA-N 1 0 389.233 2.557 20 0 GFADRO [NH3+]CCCCCCNC(=O)C(=O)Nc1cc(Cl)c(Br)cc1F ZINC000861505329 662248467 /nfs/dbraw/zinc/24/84/67/662248467.db2.gz COSKCTUVZAWUQD-UHFFFAOYSA-N 1 0 394.672 2.815 20 0 GFADRO Cc1cccc(NC(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)c1Cl ZINC000861515928 662248681 /nfs/dbraw/zinc/24/86/81/662248681.db2.gz SLZSGOFNXUCZOA-GHMZBOCLSA-N 1 0 377.794 2.573 20 0 GFADRO C[C@H]([NH3+])CN(C)C(=O)N[C@@H](C)c1nc(-c2ccc(Br)cc2)no1 ZINC000861611259 662250595 /nfs/dbraw/zinc/25/05/95/662250595.db2.gz LOHDRYRPGRKYDU-UWVGGRQHSA-N 1 0 382.262 2.549 20 0 GFADRO C[C@@H]([NH3+])CN(C)C(=O)N[C@@H](C)CCc1ccc(I)cc1 ZINC000861629827 662252454 /nfs/dbraw/zinc/25/24/54/662252454.db2.gz ZGFGULDOVXHBFA-NEPJUHHUSA-N 1 0 389.281 2.601 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1cccc(SC(F)(F)F)c1 ZINC000861750056 662257377 /nfs/dbraw/zinc/25/73/77/662257377.db2.gz DHXMOYFXCHSYPF-GFCCVEGCSA-N 1 0 375.416 2.838 20 0 GFADRO CC[C@H](C(=O)N1CN(CC[NH+](C)C)C(=O)[C@H]1C)c1ccc(Br)cc1 ZINC000862100411 662268903 /nfs/dbraw/zinc/26/89/03/662268903.db2.gz GZABJVZZBJSZHC-CJNGLKHVSA-N 1 0 396.329 2.521 20 0 GFADRO CC(C)(C)OC(=O)N1CC(F)(F)C[C@@H]1C[N@@H+]1CCS[C@@H]2COCC[C@H]21 ZINC000862251663 662277438 /nfs/dbraw/zinc/27/74/38/662277438.db2.gz KPFUUBBLFHKCST-MGPQQGTHSA-N 1 0 378.485 2.837 20 0 GFADRO O=C1N[C@H]2CC[N@@H+](Cc3c[nH]nc3-c3ccc(Br)s3)C[C@@H]2CO1 ZINC000862352952 662281969 /nfs/dbraw/zinc/28/19/69/662281969.db2.gz PQOHWKZSQWZYBN-MNOVXSKESA-N 1 0 397.298 2.831 20 0 GFADRO COc1cccc(CN(CC[NH+](C)C)Cc2cn(C)nc2Br)c1 ZINC000862367617 662283139 /nfs/dbraw/zinc/28/31/39/662283139.db2.gz PIINJVYPKORXJM-UHFFFAOYSA-N 1 0 381.318 2.755 20 0 GFADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=S)Nc1ccc(Cl)c(Cl)c1 ZINC000863212395 662315097 /nfs/dbraw/zinc/31/50/97/662315097.db2.gz XSJMOUOYSWANBF-ZDUSSCGKSA-N 1 0 375.325 2.620 20 0 GFADRO C[NH+]1CCC(CNC(=S)N[C@@H]2CCN(c3ccc(Cl)cc3F)C2)CC1 ZINC000863235555 662316542 /nfs/dbraw/zinc/31/65/42/662316542.db2.gz AZAFFXUZECZFRA-OAHLLOKOSA-N 1 0 384.952 2.864 20 0 GFADRO CC[NH2+][C@H](C)c1nc(-c2cccn3c(I)cnc23)no1 ZINC000863672168 662343616 /nfs/dbraw/zinc/34/36/16/662343616.db2.gz FQXVLBPFZBVQCW-MRVPVSSYSA-N 1 0 383.193 2.659 20 0 GFADRO CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)c2nc(C3CC3)ncc2Br)C1 ZINC000864618535 662381761 /nfs/dbraw/zinc/38/17/61/662381761.db2.gz JUPJVGIEOMJSMW-KRWDZBQOSA-N 1 0 381.318 2.954 20 0 GFADRO C[C@H](CNC(=O)c1c(F)ccc(I)c1Cl)[NH+](C)C ZINC000864829397 662387792 /nfs/dbraw/zinc/38/77/92/662387792.db2.gz ZKGJSHDITMBOJQ-SSDOTTSWSA-N 1 0 384.620 2.764 20 0 GFADRO CC(=O)NCC1CCC([NH2+]CC(=O)Nc2ccc(Br)cc2)CC1 ZINC000865418419 662420186 /nfs/dbraw/zinc/42/01/86/662420186.db2.gz KIBUFDDLPXCCBM-UHFFFAOYSA-N 1 0 382.302 2.672 20 0 GFADRO COc1ncc(Br)cc1C[NH2+]CC1CCN(CC(F)F)CC1 ZINC000865637660 662433315 /nfs/dbraw/zinc/43/33/15/662433315.db2.gz FSKXTWIWUYKDTE-UHFFFAOYSA-N 1 0 378.261 2.919 20 0 GFADRO C[C@@](CO)(Cc1ccc(Br)cc1)[NH2+]Cc1cnn(CC(F)F)c1 ZINC000865714946 662438392 /nfs/dbraw/zinc/43/83/92/662438392.db2.gz GOUJPRLQTNQVLE-INIZCTEOSA-N 1 0 388.256 2.994 20 0 GFADRO C[C@@](CO)(Cc1ccc(Br)cc1)[NH2+]Cc1cnc2cnccn12 ZINC000865715391 662438578 /nfs/dbraw/zinc/43/85/78/662438578.db2.gz RCXMVQXGEXMSNN-KRWDZBQOSA-N 1 0 375.270 2.575 20 0 GFADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]CC[C@@H]1CCCS1 ZINC000865725635 662439315 /nfs/dbraw/zinc/43/93/15/662439315.db2.gz ATGAGRDUORFWHD-OLZOCXBDSA-N 1 0 377.963 2.580 20 0 GFADRO C/C(=C/c1ccc(Br)o1)C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000865750864 662441263 /nfs/dbraw/zinc/44/12/63/662441263.db2.gz TZRRJXCJYJNALB-FZDNWWAKSA-N 1 0 396.329 2.730 20 0 GFADRO CSc1cc(Br)ccc1C[NH2+]CC(C)(C)CS(N)(=O)=O ZINC000865813270 662445013 /nfs/dbraw/zinc/44/50/13/662445013.db2.gz MJHRDXVLWGHFBQ-UHFFFAOYSA-N 1 0 381.361 2.575 20 0 GFADRO OCc1ccc(NCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)nc1Br ZINC000865936387 662452357 /nfs/dbraw/zinc/45/23/57/662452357.db2.gz KFJTZXLEJGEWIY-MRXNPFEDSA-N 1 0 392.297 2.515 20 0 GFADRO CSc1cc(C(=O)NCCC[NH+]2CCC(O)CC2)ccc1Br ZINC000865951928 662453331 /nfs/dbraw/zinc/45/33/31/662453331.db2.gz LHKJSJMYGXGHCM-UHFFFAOYSA-N 1 0 387.343 2.748 20 0 GFADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc(Br)cn2ccnc12 ZINC000866423558 662472241 /nfs/dbraw/zinc/47/22/41/662472241.db2.gz VWDNAFMUGVGHDA-KGLIPLIRSA-N 1 0 377.286 2.796 20 0 GFADRO O=C1OC[C@]2(C[NH2+][C@@H](c3ccc(Br)s3)C3CC3)COCCN12 ZINC000866522461 662478717 /nfs/dbraw/zinc/47/87/17/662478717.db2.gz WGBSTEBXHXBWOR-HIFRSBDPSA-N 1 0 387.299 2.773 20 0 GFADRO COc1ccccc1C[C@H](C)[NH2+]Cc1c(I)cnn1C ZINC000866629204 662485077 /nfs/dbraw/zinc/48/50/77/662485077.db2.gz DIOCLYWCTPFCHA-NSHDSACASA-N 1 0 385.249 2.754 20 0 GFADRO O=S(=O)(/C=C/c1cccc(Br)c1)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000866809457 662500531 /nfs/dbraw/zinc/50/05/31/662500531.db2.gz KPNAUAGUCLUDBE-DTYWCROJSA-N 1 0 385.327 2.870 20 0 GFADRO CC(=O)Nc1ccc(S(=O)(=O)N2CC[C@](C[NH3+])(C(C)(C)C)C2)cc1Cl ZINC000866816130 662501484 /nfs/dbraw/zinc/50/14/84/662501484.db2.gz WWSPPIISGIBNPU-QGZVFWFLSA-N 1 0 387.933 2.684 20 0 GFADRO O=S(=O)(c1ccc(Br)c(Cl)c1)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000866827415 662502423 /nfs/dbraw/zinc/50/24/23/662502423.db2.gz MLUHLDSXDJWFOD-OLZOCXBDSA-N 1 0 379.707 2.618 20 0 GFADRO CC(C)n1ncc(C(=O)N2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)c1Br ZINC000866864936 662504810 /nfs/dbraw/zinc/50/48/10/662504810.db2.gz DWFUDWPIFZEVSU-AEGPPILISA-N 1 0 399.333 2.550 20 0 GFADRO CC[NH+](CC)CCO[C@H]1CCN(S(=O)(=O)c2cc(Cl)cnc2Cl)C1 ZINC000866905111 662507719 /nfs/dbraw/zinc/50/77/19/662507719.db2.gz MTLMPDCXJYTXJT-ZDUSSCGKSA-N 1 0 396.340 2.510 20 0 GFADRO CN(CCC[NH+](C)C)C(=O)c1cc(Br)ncc1Br ZINC000867222958 662533053 /nfs/dbraw/zinc/53/30/53/662533053.db2.gz QKRVELYOVCKGTM-UHFFFAOYSA-N 1 0 379.096 2.630 20 0 GFADRO CN(CCC[N@H+](C)Cc1ccco1)S(=O)(=O)c1ccc(Cl)nc1F ZINC000867267726 662537209 /nfs/dbraw/zinc/53/72/09/662537209.db2.gz ZHFJINMWLAPUNU-UHFFFAOYSA-N 1 0 375.853 2.610 20 0 GFADRO C[N@@H+]1CCC[C@@]2(CCN(S(=O)(=O)c3ccc4ccnc(Cl)c4c3)C2)C1 ZINC000867308560 662541064 /nfs/dbraw/zinc/54/10/64/662541064.db2.gz KBFBWSWBLAKSQL-GOSISDBHSA-N 1 0 379.913 2.995 20 0 GFADRO Cc1sc(Br)cc1S(=O)(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000867811333 662579010 /nfs/dbraw/zinc/57/90/10/662579010.db2.gz BGGRGVWLODPVIC-GHMZBOCLSA-N 1 0 379.345 2.534 20 0 GFADRO COc1cccc(CCNC(=O)[C@H]([NH3+])c2cccc(Br)c2)c1OC ZINC000867944527 662588580 /nfs/dbraw/zinc/58/85/80/662588580.db2.gz WVTRQAQSIIUZEU-MRXNPFEDSA-N 1 0 393.281 2.825 20 0 GFADRO C[NH2+][C@H]1CCN(C(=O)c2c(F)ccc(I)c2Cl)C1 ZINC000867965472 662589764 /nfs/dbraw/zinc/58/97/64/662589764.db2.gz CFUUBIFBBVCRBT-ZETCQYMHSA-N 1 0 382.604 2.518 20 0 GFADRO O=C([C@@H]1[C@@H]2Cc3ccc(Br)cc3[C@@H]21)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000867970624 662589880 /nfs/dbraw/zinc/58/98/80/662589880.db2.gz GHTWMKWXHRCQAT-NTDBWNAOSA-N 1 0 375.310 2.937 20 0 GFADRO O=C(NCC[N@@H+]1CCc2ccccc2C1)NCc1ccc(Br)cn1 ZINC000868003665 662591070 /nfs/dbraw/zinc/59/10/70/662591070.db2.gz CITHYWXKCZIJOH-UHFFFAOYSA-N 1 0 389.297 2.702 20 0 GFADRO O=C(NC1CC[NH+](C2CC2)CC1)N[C@H]1COc2cccc(Br)c2C1 ZINC000868008606 662591293 /nfs/dbraw/zinc/59/12/93/662591293.db2.gz HGGAKJSOJRLLFA-CYBMUJFWSA-N 1 0 394.313 2.679 20 0 GFADRO COC[C@@H](NC(=O)[C@@H]([NH3+])Cc1ccccc1)c1cccc(Br)c1 ZINC000868025317 662591876 /nfs/dbraw/zinc/59/18/76/662591876.db2.gz XDFREZMZCSDUNZ-DLBZAZTESA-N 1 0 377.282 2.823 20 0 GFADRO COC[C@H](NC(=O)[C@@H]([NH3+])Cc1ccccc1)c1cccc(Br)c1 ZINC000868025319 662591887 /nfs/dbraw/zinc/59/18/87/662591887.db2.gz XDFREZMZCSDUNZ-IRXDYDNUSA-N 1 0 377.282 2.823 20 0 GFADRO COc1cc(OC)c(NC(=O)N2CCC[C@@H]3[NH2+]CC[C@H]32)cc1Br ZINC000868151814 662596595 /nfs/dbraw/zinc/59/65/95/662596595.db2.gz YTZMLCMNVFDUQI-WCQYABFASA-N 1 0 384.274 2.825 20 0 GFADRO O=C(Nc1ccc2nccnc2c1Br)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000868157669 662597000 /nfs/dbraw/zinc/59/70/00/662597000.db2.gz GTYDSEDKUNKMQH-MFKMUULPSA-N 1 0 376.258 2.751 20 0 GFADRO [NH3+][C@@H]1C[C@H]1c1ccc(NC(=O)NCCCn2cc(Br)cn2)cc1 ZINC000868176649 662597778 /nfs/dbraw/zinc/59/77/78/662597778.db2.gz IUXOPAINVRYHQU-LSDHHAIUSA-N 1 0 378.274 2.672 20 0 GFADRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)NCc1ncc(Br)s1 ZINC000868365568 662603207 /nfs/dbraw/zinc/60/32/07/662603207.db2.gz OGLJCVVXXXLBIE-WDEREUQCSA-N 1 0 375.336 2.825 20 0 GFADRO C[N@@H+]1CC[C@H]2CN(C(=O)NCc3cc(F)c(Br)cc3F)CC[C@@H]21 ZINC000868809728 662620428 /nfs/dbraw/zinc/62/04/28/662620428.db2.gz MAAKYFZRYRBCFB-BONVTDFDSA-N 1 0 388.256 2.963 20 0 GFADRO C/C(=C/c1ccc(Br)o1)C(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000869299296 662640555 /nfs/dbraw/zinc/64/05/55/662640555.db2.gz PHBLMRPHQMZKRX-HCYCVZQXSA-N 1 0 383.286 2.503 20 0 GFADRO O=C(c1c[nH]c(=O)c(Br)c1)N1CC2(C1)C[NH+](Cc1ccccc1)C2 ZINC000869815571 662663131 /nfs/dbraw/zinc/66/31/31/662663131.db2.gz QIJXIBBLERBQMY-UHFFFAOYSA-N 1 0 388.265 2.508 20 0 GFADRO CC(C)[C@@H](C[NH+](C)C)OC(=O)c1sccc1S(=O)(=O)N1CCCCC1 ZINC000870571711 662694866 /nfs/dbraw/zinc/69/48/66/662694866.db2.gz RXZUZRKDUOXEEW-CQSZACIVSA-N 1 0 388.555 2.666 20 0 GFADRO Cc1sc(Br)nc1C(=O)Nc1cc(N2CC[NH+](C)CC2)ccn1 ZINC000870667002 662698226 /nfs/dbraw/zinc/69/82/26/662698226.db2.gz PGWPHBLMYYAHTG-UHFFFAOYSA-N 1 0 396.314 2.613 20 0 GFADRO [NH3+][C@H]1CC[C@H](C(=O)N2CCN(Cc3ccc(Br)s3)CC2)CC1 ZINC000870855456 662703618 /nfs/dbraw/zinc/70/36/18/662703618.db2.gz SEVCEUPIMNKHQK-JOCQHMNTSA-N 1 0 386.359 2.672 20 0 GFADRO [NH3+][C@H](C(=O)NC1CCN(CC(F)(F)F)CC1)c1cccc(Br)c1 ZINC000870878004 662704303 /nfs/dbraw/zinc/70/43/03/662704303.db2.gz XUCPJKHRGADXBR-ZDUSSCGKSA-N 1 0 394.235 2.592 20 0 GFADRO [NH3+][C@H]1CC[C@H](C(=O)NCCc2ccc(I)s2)CC1 ZINC000870878364 662704326 /nfs/dbraw/zinc/70/43/26/662704326.db2.gz BJIKFOUQJRFFCO-MGCOHNPYSA-N 1 0 378.279 2.529 20 0 GFADRO CC(C)[C@H](C(=O)Nc1ccc(N2CC[C@@H](CO)C2)c(Br)c1)[NH+](C)C ZINC000870889589 662706124 /nfs/dbraw/zinc/70/61/24/662706124.db2.gz MPEZIJYKKNPFDC-CXAGYDPISA-N 1 0 398.345 2.792 20 0 GFADRO COC(=O)C(C)(C)[C@@H]1CCCN(C(=O)[C@H]([NH3+])c2cccc(Br)c2)C1 ZINC000870911929 662707873 /nfs/dbraw/zinc/70/78/73/662707873.db2.gz UBASJNMYMKDFPW-UKRRQHHQSA-N 1 0 397.313 2.887 20 0 GFADRO Cc1cnc(N2CCN(C(=O)[C@@H]([NH3+])c3cccc(Br)c3)CC2)s1 ZINC000870925559 662708369 /nfs/dbraw/zinc/70/83/69/662708369.db2.gz KSMLVBGCFMLYOV-AWEZNQCLSA-N 1 0 395.326 2.563 20 0 GFADRO [NH3+][C@@H](C(=O)N1CC[C@@H](OCc2ccncc2)C1)c1cccc(Br)c1 ZINC000870930337 662708692 /nfs/dbraw/zinc/70/86/92/662708692.db2.gz NEOQYMYSBVLFDW-IAGOWNOFSA-N 1 0 390.281 2.662 20 0 GFADRO O=C(c1cc(Br)cn2ccnc12)N1CCC([NH2+]CC2CC2)CC1 ZINC000870936893 662709135 /nfs/dbraw/zinc/70/91/35/662709135.db2.gz FSTYKZBKGVIKFU-UHFFFAOYSA-N 1 0 377.286 2.701 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)c2c(F)ccc(I)c2Cl)CC[NH2+]1 ZINC000870942282 662709673 /nfs/dbraw/zinc/70/96/73/662709673.db2.gz KFVWNPORYAXBCF-HTQZYQBOSA-N 1 0 396.631 2.954 20 0 GFADRO CC(=O)N[C@H](C(=O)NC[C@H]1CC[C@H](C[NH3+])CC1)c1cccc(Br)c1 ZINC000870942844 662709709 /nfs/dbraw/zinc/70/97/09/662709709.db2.gz BBIRXCVPWRCTKP-ZQIUZPCESA-N 1 0 396.329 2.508 20 0 GFADRO C[C@@H](CCC[NH3+])NC(=O)c1c(F)ccc(I)c1Cl ZINC000870947871 662711057 /nfs/dbraw/zinc/71/10/57/662711057.db2.gz UJLZWVMDLFBDSN-ZETCQYMHSA-N 1 0 384.620 2.941 20 0 GFADRO CC(C)[NH+]1CCC(CCNC(=O)c2c(Cl)cccc2S(C)(=O)=O)CC1 ZINC000870956553 662711399 /nfs/dbraw/zinc/71/13/99/662711399.db2.gz XNXGUAFCIJJTAB-UHFFFAOYSA-N 1 0 386.945 2.984 20 0 GFADRO Cn1ncc2c1CC(C)(C)CN(C(=O)[C@@H]([NH3+])c1cccc(Br)c1)C2 ZINC000870958233 662711443 /nfs/dbraw/zinc/71/14/43/662711443.db2.gz NGMUZKMBBHQCCB-INIZCTEOSA-N 1 0 391.313 2.794 20 0 GFADRO CC(C)[NH+]1CCN(c2nnc(COc3ccccc3Br)n2C)CC1 ZINC000871025239 662713143 /nfs/dbraw/zinc/71/31/43/662713143.db2.gz HIFCBCCQCJNDAF-UHFFFAOYSA-N 1 0 394.317 2.687 20 0 GFADRO O=C(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)Nc1ccc(Br)cc1F ZINC000871672869 662730749 /nfs/dbraw/zinc/73/07/49/662730749.db2.gz ARWMRTPZMHUOLL-LBPRGKRZSA-N 1 0 386.265 2.868 20 0 GFADRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2c(Cl)cccc2Cl)C[C@H]1C(F)(F)F ZINC000871812094 662735162 /nfs/dbraw/zinc/73/51/62/662735162.db2.gz VQAVVYJEHJYIPG-HTQZYQBOSA-N 1 0 377.215 2.751 20 0 GFADRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2ccc3nc(Cl)sc3c2)C[C@H]1C(F)(F)F ZINC000871814950 662735639 /nfs/dbraw/zinc/73/56/39/662735639.db2.gz XROUPNYYTGZLKU-VXNVDRBHSA-N 1 0 399.847 2.707 20 0 GFADRO O=S(=O)(N[C@@]12CCC[C@@H]1[NH2+]CC2)c1ccc(C(F)(F)C(F)(F)F)cc1 ZINC000871817960 662735765 /nfs/dbraw/zinc/73/57/65/662735765.db2.gz HVKFPZOXGOBWRF-QWHCGFSZSA-N 1 0 384.370 2.904 20 0 GFADRO O=C1OCCN1CCC[NH2+][C@@H](c1cccc(Br)c1)[C@H]1CCOC1 ZINC000872032397 662754380 /nfs/dbraw/zinc/75/43/80/662754380.db2.gz SGULHFOPWQCDNG-HOCLYGCPSA-N 1 0 383.286 2.959 20 0 GFADRO Cn1ncc(CCC[NH2+][C@@H](c2cccc(Br)c2)[C@H]2CCOC2)n1 ZINC000872072275 662755262 /nfs/dbraw/zinc/75/52/62/662755262.db2.gz GAVLFPJMHIPSCA-YOEHRIQHSA-N 1 0 379.302 2.878 20 0 GFADRO CC(C)S(=O)(=O)CC[NH2+][C@@H](c1cccc(Br)c1)[C@@H]1CCOC1 ZINC000872072800 662755290 /nfs/dbraw/zinc/75/52/90/662755290.db2.gz KAQQWLRCWDZUDK-ZBFHGGJFSA-N 1 0 390.343 2.940 20 0 GFADRO OCCCN1CCC[C@H]([NH2+][C@@H](c2cccc(Br)c2)[C@H]2CCOC2)C1 ZINC000872074418 662755302 /nfs/dbraw/zinc/75/53/02/662755302.db2.gz DPMQNXZRMCLDHD-WDSOQIARSA-N 1 0 397.357 2.963 20 0 GFADRO OC1CCN(CC[NH2+][C@@H](c2cccc(Br)c2)[C@H]2CCOC2)CC1 ZINC000872077209 662755371 /nfs/dbraw/zinc/75/53/71/662755371.db2.gz COEBGIDZJCPJKV-YJBOKZPZSA-N 1 0 383.330 2.573 20 0 GFADRO Cn1nccc1[C@H](CO)[NH2+][C@H](c1cccc(Br)c1)[C@H]1CCOC1 ZINC000872089104 662755572 /nfs/dbraw/zinc/75/55/72/662755572.db2.gz ZBUDVHJORLQRMZ-JLJPHGGASA-N 1 0 380.286 2.583 20 0 GFADRO Brc1cccc([C@H]([NH2+]C2CN(c3ccncn3)C2)[C@H]2CCOC2)c1 ZINC000872091238 662755701 /nfs/dbraw/zinc/75/57/01/662755701.db2.gz HHVFUZFXNMEHOP-KSSFIOAISA-N 1 0 389.297 2.795 20 0 GFADRO C[C@H]([NH2+]CCOC(F)(F)C(F)(F)F)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000872110714 662755981 /nfs/dbraw/zinc/75/59/81/662755981.db2.gz ODDKXTCLMUFWOR-JTQLQIEISA-N 1 0 390.374 2.759 20 0 GFADRO COc1ccc(Cl)cc1NC(=O)CCN1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000872147753 662756671 /nfs/dbraw/zinc/75/66/71/662756671.db2.gz DKMDWAVNIBSONG-CMPLNLGQSA-N 1 0 379.810 2.746 20 0 GFADRO O=C(NCc1noc(/C=C\[C@@H]2CCC[NH2+]C2)n1)c1ccc(Br)cc1 ZINC000872181925 662757566 /nfs/dbraw/zinc/75/75/66/662757566.db2.gz RYUVWVJAUWYUSH-KJPDOOANSA-N 1 0 391.269 2.775 20 0 GFADRO CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]C[C@@H](O)c3ccc(Br)cc3)[C@H]2C1 ZINC000872208979 662757993 /nfs/dbraw/zinc/75/79/93/662757993.db2.gz WDBDMLISFFBRJR-DZJNRPSUSA-N 1 0 381.314 2.719 20 0 GFADRO CC(C)(C)[S@@](C)(=O)=NS(=O)(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000872432509 662765828 /nfs/dbraw/zinc/76/58/28/662765828.db2.gz UNNZJZGGFBPQDC-XMMPIXPASA-N 1 0 387.571 2.513 20 0 GFADRO CN1CC[C@@H]2C[N@H+](Cn3ccc(=O)c4cccc(Br)c43)CC[C@@H]21 ZINC000872726520 662786750 /nfs/dbraw/zinc/78/67/50/662786750.db2.gz RPKKKAUWHDGOLN-CJNGLKHVSA-N 1 0 376.298 2.748 20 0 GFADRO CN(C)C(=O)CN1CCC([NH2+]Cc2cccc(Cl)c2Br)CC1 ZINC000873048827 662797646 /nfs/dbraw/zinc/79/76/46/662797646.db2.gz OCBYRITZSFWCQQ-UHFFFAOYSA-N 1 0 388.737 2.745 20 0 GFADRO Cn1c2ccccc2c(Br)c1C[NH2+]C[C@H]1COC2(CCOCC2)O1 ZINC000873102151 662799862 /nfs/dbraw/zinc/79/98/62/662799862.db2.gz ICHUHDZKGDXGIR-ZDUSSCGKSA-N 1 0 395.297 2.953 20 0 GFADRO COc1ccc(C[NH2+]CC2C[C@H]3CC[C@@H](C2)S3(=O)=O)cc1OC(F)F ZINC000873171972 662802762 /nfs/dbraw/zinc/80/27/62/662802762.db2.gz GYCOORXYKOYNAX-AGUYFDCRSA-N 1 0 375.437 2.742 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)Nc2cc3c(cc2Cl)OCCO3)C[C@H]1C(F)(F)F ZINC000873305065 662805074 /nfs/dbraw/zinc/80/50/74/662805074.db2.gz UFNSMSBEVLDDEI-DTWKUNHWSA-N 1 0 379.766 2.712 20 0 GFADRO CCOC(=O)c1sc(NC(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)cc1C ZINC000873307205 662805080 /nfs/dbraw/zinc/80/50/80/662805080.db2.gz KBNVZYTXNWNPIK-ZJUUUORDSA-N 1 0 379.404 2.834 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)Nc2cc3c(cc2Cl)OCCO3)C[C@H]1C(F)(F)F ZINC000873305067 662805085 /nfs/dbraw/zinc/80/50/85/662805085.db2.gz UFNSMSBEVLDDEI-RKDXNWHRSA-N 1 0 379.766 2.712 20 0 GFADRO COc1ccc(NC(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)c(Br)c1 ZINC000873307107 662805097 /nfs/dbraw/zinc/80/50/97/662805097.db2.gz ILORFAIWCUOBJA-CYBMUJFWSA-N 1 0 398.301 2.738 20 0 GFADRO O=C(NC[C@H]1CC2(CO1)CC[NH2+]CC2)Nc1ccc(F)c(Br)c1 ZINC000873311328 662805116 /nfs/dbraw/zinc/80/51/16/662805116.db2.gz QTMAXWPMBNGUIQ-GFCCVEGCSA-N 1 0 386.265 2.868 20 0 GFADRO O=C(Nc1ccc2nccnc2c1Br)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000873324280 662805474 /nfs/dbraw/zinc/80/54/74/662805474.db2.gz LFQFDNDSJWOJCF-LRDDRELGSA-N 1 0 376.258 2.798 20 0 GFADRO COc1ccc(C[NH+](C)C)cc1NC(=O)c1cc(N)nc(Br)c1 ZINC000873991706 662820680 /nfs/dbraw/zinc/82/06/80/662820680.db2.gz RGLBRWBLGFAZQS-UHFFFAOYSA-N 1 0 379.258 2.749 20 0 GFADRO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)C(=O)Nc1nc(-c2cccs2)cs1 ZINC000874370372 662830397 /nfs/dbraw/zinc/83/03/97/662830397.db2.gz XOKZGVBNWZDFIA-STQMWFEESA-N 1 0 376.507 2.505 20 0 GFADRO CNc1cc(I)ccc1C(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2C ZINC000874825577 662837439 /nfs/dbraw/zinc/83/74/39/662837439.db2.gz QHLHTHIAPFLMDG-GJZGRUSLSA-N 1 0 399.276 2.642 20 0 GFADRO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)c1cn(-c2ccc(Br)cc2)cn1 ZINC000874835205 662838002 /nfs/dbraw/zinc/83/80/02/662838002.db2.gz XKNAYNJSLZMGLR-DLBZAZTESA-N 1 0 389.297 2.944 20 0 GFADRO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)c1c(F)cccc1I ZINC000874840058 662838113 /nfs/dbraw/zinc/83/81/13/662838113.db2.gz ZUGKWAXWURIBKN-STQMWFEESA-N 1 0 388.224 2.739 20 0 GFADRO Cc1c(I)cccc1C(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2C ZINC000874839530 662838195 /nfs/dbraw/zinc/83/81/95/662838195.db2.gz WOUCIPVGXCSBKM-HUUCEWRRSA-N 1 0 384.261 2.908 20 0 GFADRO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)c1cnn(-c2ccc(Br)cc2)c1 ZINC000874843602 662838275 /nfs/dbraw/zinc/83/82/75/662838275.db2.gz NZCRBTKZAIUILR-IRXDYDNUSA-N 1 0 389.297 2.944 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)N[C@@H]1COc2cccc(Br)c2C1 ZINC000875093126 662841822 /nfs/dbraw/zinc/84/18/22/662841822.db2.gz JHPYKJBERSQIAH-HZSPNIEDSA-N 1 0 394.313 2.679 20 0 GFADRO C[NH+]1CCC(CNC(=O)N[C@@H]2[C@@H]3Cc4ccc(Br)cc4[C@@H]32)CC1 ZINC000875238627 662843731 /nfs/dbraw/zinc/84/37/31/662843731.db2.gz QMONFVIBEKJYBK-IXDOHACOSA-N 1 0 378.314 2.728 20 0 GFADRO Cn1cc([C@H]2C[N@H+](C)CC[C@H]2C(=O)Oc2cc(Br)ccc2F)cn1 ZINC000875529947 662847435 /nfs/dbraw/zinc/84/74/35/662847435.db2.gz DHIANZJQMHVHRB-ZIAGYGMSSA-N 1 0 396.260 2.963 20 0 GFADRO Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)Nc2cccc(Br)c2F)cn1 ZINC000875828214 662852656 /nfs/dbraw/zinc/85/26/56/662852656.db2.gz RDPJQUJIYAAQPI-QWHCGFSZSA-N 1 0 395.276 2.996 20 0 GFADRO O=C(NCCSCCC(F)(F)F)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000876173903 662856215 /nfs/dbraw/zinc/85/62/15/662856215.db2.gz JXRWGOJHMCCZJK-CQSZACIVSA-N 1 0 383.480 2.568 20 0 GFADRO CC(C)[NH+]1CCC(O)(CNC(=O)NCc2ccc(C(F)(F)F)s2)CC1 ZINC000876342204 662860067 /nfs/dbraw/zinc/86/00/67/662860067.db2.gz ISKCTKHNEKIKQA-UHFFFAOYSA-N 1 0 379.448 2.801 20 0 GFADRO C[C@@]1(Br)C[C@@H]1C(=O)Nc1ccccc1C(=O)OC1CC[NH2+]CC1 ZINC000876520112 662862400 /nfs/dbraw/zinc/86/24/00/662862400.db2.gz GHVHJPWTYCASAY-CXAGYDPISA-N 1 0 381.270 2.707 20 0 GFADRO [NH3+][C@H]1CC[C@@H](C(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)CC1 ZINC000876554623 662862701 /nfs/dbraw/zinc/86/27/01/662862701.db2.gz QFTCEIFKZAKQCV-BETUJISGSA-N 1 0 385.917 2.581 20 0 GFADRO O=C(Nc1ccnn1Cc1ccc(Br)cc1)[C@H](F)[C@@H]1CC[NH2+]C1 ZINC000876563493 662862812 /nfs/dbraw/zinc/86/28/12/662862812.db2.gz JEOSOINPPRXEGN-IUODEOHRSA-N 1 0 381.249 2.580 20 0 GFADRO CC[N@H+](CCc1ccccn1)Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000876635339 662863904 /nfs/dbraw/zinc/86/39/04/662863904.db2.gz UZKMIJGYOWKFCK-UHFFFAOYSA-N 1 0 398.326 2.556 20 0 GFADRO O=C([C@H](F)[C@@H]1CC[NH2+]C1)N1CCO[C@@H](c2cc(F)c(Cl)cc2Cl)C1 ZINC000876649368 662864281 /nfs/dbraw/zinc/86/42/81/662864281.db2.gz UFZVBTQYBCURCA-DFKRKDTASA-N 1 0 379.234 2.980 20 0 GFADRO O=C(/C=C\[C@@H]1CCC[NH2+]C1)N1CCN(Cc2ccc(Br)s2)CC1 ZINC000876710755 662865229 /nfs/dbraw/zinc/86/52/29/662865229.db2.gz MPNYQUASLONROB-XSHSDMCLSA-N 1 0 398.370 2.711 20 0 GFADRO [NH3+][C@H]1CC[C@H](C(=O)Nc2cc(Br)ccc2N2CCOCC2)CC1 ZINC000876712249 662865244 /nfs/dbraw/zinc/86/52/44/662865244.db2.gz CVTNBVMODFNQPP-MQMHXKEQSA-N 1 0 382.302 2.742 20 0 GFADRO O=C(/C=C/[C@@H]1CCC[NH2+]C1)N[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000876754937 662865877 /nfs/dbraw/zinc/86/58/77/662865877.db2.gz VCUFLDAVFXUZET-OSWFYRBGSA-N 1 0 378.314 2.700 20 0 GFADRO NS(=O)(=O)c1ccc(C[N@@H+]2CCCCC[C@H]2C[C@H](O)c2cccs2)o1 ZINC000876804447 662866620 /nfs/dbraw/zinc/86/66/20/662866620.db2.gz QJZBMUQSDYXLAT-ZFWWWQNUSA-N 1 0 384.523 2.857 20 0 GFADRO [NH3+]C[C@@H]1[C@H](C(=O)NC2CCN(Cc3cc(Cl)cc(Cl)c3)CC2)C1(F)F ZINC000876888507 662867641 /nfs/dbraw/zinc/86/76/41/662867641.db2.gz CRQDTQJRVYCOOL-HUUCEWRRSA-N 1 0 392.277 2.914 20 0 GFADRO O=C(/C=C/[C@@H]1CCC[NH2+]C1)N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000876894131 662867794 /nfs/dbraw/zinc/86/77/94/662867794.db2.gz LVCDPFRAKKKCCM-OLHYZRIUSA-N 1 0 382.291 2.771 20 0 GFADRO NS(=O)(=O)c1cccc(C[NH2+]C2(c3ccc(Br)cc3)CC2)c1 ZINC000876897860 662867925 /nfs/dbraw/zinc/86/79/25/662867925.db2.gz HHGOCRDUFFLBKJ-UHFFFAOYSA-N 1 0 381.295 2.875 20 0 GFADRO CCOC(=O)N1CCC([NH2+]Cc2ccc(C(=O)OC)c(Br)c2)CC1 ZINC000876917407 662868023 /nfs/dbraw/zinc/86/80/23/662868023.db2.gz CLLXHHRBRJOWGH-UHFFFAOYSA-N 1 0 399.285 2.946 20 0 GFADRO C[C@]1(Br)C[C@@H]1C(=O)N1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000876926560 662868263 /nfs/dbraw/zinc/86/82/63/662868263.db2.gz ZCIMMSOTOUFKAP-KDOFPFPSSA-N 1 0 395.345 2.756 20 0 GFADRO CC(C)n1ncc(C(=O)N2CCc3ccccc3[C@H]2C[NH3+])c1Br ZINC000876935956 662868376 /nfs/dbraw/zinc/86/83/76/662868376.db2.gz FFPBDXRAVDKERG-OAHLLOKOSA-N 1 0 377.286 2.925 20 0 GFADRO O=C(N1CCOC[C@@H]1c1cccc(Br)c1)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000876970274 662868834 /nfs/dbraw/zinc/86/88/34/662868834.db2.gz NGLYXTNQXZMQPJ-NUJGCVRESA-N 1 0 379.298 2.881 20 0 GFADRO COC(=O)c1sc2c(c1Br)CN(C(=O)/C=C/[C@@H]1CCC[NH2+]C1)C2 ZINC000876982085 662869231 /nfs/dbraw/zinc/86/92/31/662869231.db2.gz VDAIGKKKWVSSDA-YEZKRMTDSA-N 1 0 399.310 2.695 20 0 GFADRO CC[C@H](Nc1cccnc1Cl)C(=O)N1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000877018325 662869688 /nfs/dbraw/zinc/86/96/88/662869688.db2.gz MMFSGUBEZGLPHX-UTUOFQBUSA-N 1 0 378.826 2.911 20 0 GFADRO Cn1c(C(=O)NCC2([NH3+])CCOCC2)ccc1-c1ccc(Br)cc1 ZINC000877013937 662869717 /nfs/dbraw/zinc/86/97/17/662869717.db2.gz JQBCTPSJOPOAFP-UHFFFAOYSA-N 1 0 392.297 2.692 20 0 GFADRO [NH3+]CC1(NC(=O)c2cnc(-c3ccccc3Br)s2)CCOCC1 ZINC000877043238 662870010 /nfs/dbraw/zinc/87/00/10/662870010.db2.gz CZVWKRFDOBNWCI-UHFFFAOYSA-N 1 0 396.310 2.810 20 0 GFADRO Cc1cc([C@](C)(O)C[NH2+]Cc2cnn3cc(Br)cnc23)c(C)o1 ZINC000877060872 662870338 /nfs/dbraw/zinc/87/03/38/662870338.db2.gz SFYOJHUNWAPBRO-MRXNPFEDSA-N 1 0 379.258 2.699 20 0 GFADRO CC(C)(C)OC(=O)N1CC(c2cc(C[NH2+]C[C@@H]3CSCCS3)on2)C1 ZINC000877085243 662870887 /nfs/dbraw/zinc/87/08/87/662870887.db2.gz JTHUNAKQKSERMW-CQSZACIVSA-N 1 0 385.555 2.947 20 0 GFADRO CCn1nc(C)c(CN(C)C(=O)[C@H]([NH3+])c2cccc(Br)c2)c1C ZINC000877131013 662871541 /nfs/dbraw/zinc/87/15/41/662871541.db2.gz RDAGMMORSACHLC-MRXNPFEDSA-N 1 0 379.302 2.941 20 0 GFADRO O=C(Nc1cc(N2CC[NH2+]CC2)ccn1)c1cc(F)c(Br)cc1F ZINC000877199555 662872151 /nfs/dbraw/zinc/87/21/51/662872151.db2.gz VVLKWCJTSXBDOX-UHFFFAOYSA-N 1 0 397.223 2.784 20 0 GFADRO CCO[C@H]1C[C@]([NH3+])(C(=O)NCc2cc(C(F)(F)F)cc(Cl)n2)C1(C)C ZINC000877313288 662873406 /nfs/dbraw/zinc/87/34/06/662873406.db2.gz QBFZIXWDISXPBS-NHYWBVRUSA-N 1 0 379.810 2.903 20 0 GFADRO Cc1ccc(F)c(C(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)c1Br ZINC000877330196 662873767 /nfs/dbraw/zinc/87/37/67/662873767.db2.gz YRJQAZWLSYCAGL-LBPRGKRZSA-N 1 0 385.277 2.785 20 0 GFADRO O=C(NC[C@H]1CC2(CO1)CC[NH2+]CC2)c1cc(F)c(F)cc1Br ZINC000877330537 662873785 /nfs/dbraw/zinc/87/37/85/662873785.db2.gz CTUKDDRZFFWBGG-SNVBAGLBSA-N 1 0 389.240 2.616 20 0 GFADRO Cc1c(Br)cccc1CC(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000877329201 662873798 /nfs/dbraw/zinc/87/37/98/662873798.db2.gz OXAIAOWAJZEABF-HNNXBMFYSA-N 1 0 381.314 2.575 20 0 GFADRO Cc1ccc(CC(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)cc1Br ZINC000877356628 662874292 /nfs/dbraw/zinc/87/42/92/662874292.db2.gz HESFKMLPQORHNG-VXGBXAGGSA-N 1 0 379.220 2.896 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)c2c(Cl)nc3cc(Cl)ccn32)C[C@@H]1C(F)(F)F ZINC000877357356 662874327 /nfs/dbraw/zinc/87/43/27/662874327.db2.gz SALNEYMMMAHLTN-CBAPKCEASA-N 1 0 381.185 2.850 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)Cc2ccc(Br)cc2F)C[C@H]1C(F)(F)F ZINC000877358332 662874418 /nfs/dbraw/zinc/87/44/18/662874418.db2.gz WLMGSYODWJSAMV-MWLCHTKSSA-N 1 0 383.183 2.726 20 0 GFADRO Cc1cc(Br)ccc1CC(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000877358275 662874443 /nfs/dbraw/zinc/87/44/43/662874443.db2.gz PIQMCVYDNJQXQM-AAEUAGOBSA-N 1 0 379.220 2.896 20 0 GFADRO COc1ccc(C(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)cc1Br ZINC000877368140 662874853 /nfs/dbraw/zinc/87/48/53/662874853.db2.gz HGVPPNDGMPLFJG-ZJUUUORDSA-N 1 0 381.192 2.667 20 0 GFADRO Cc1sc2nc(C)nc(SCC(=O)N3C[C@@H]4C[NH2+]C[C@]4(C)C3)c2c1C ZINC000877378338 662875061 /nfs/dbraw/zinc/87/50/61/662875061.db2.gz SUZAMXWJOGKTDR-SCLBCKFNSA-N 1 0 376.551 2.777 20 0 GFADRO O=C(CNC(=O)c1sc2ccccc2c1Cl)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000877388612 662875294 /nfs/dbraw/zinc/87/52/94/662875294.db2.gz CIUIBHANKOUDPB-FZKQIMNGSA-N 1 0 377.897 2.685 20 0 GFADRO O=C(N[C@]12CCC[C@H]1[NH2+]CC2)c1cc(F)c(F)cc1I ZINC000877394824 662875393 /nfs/dbraw/zinc/87/53/93/662875393.db2.gz URXNYXVXNNQRDD-OCCSQVGLSA-N 1 0 392.187 2.584 20 0 GFADRO COC(=O)c1ccc(C[NH2+]CCc2cn3c(n2)SCC3)cc1Br ZINC000877393301 662875403 /nfs/dbraw/zinc/87/54/03/662875403.db2.gz LUAWOVHXIJYTAZ-UHFFFAOYSA-N 1 0 396.310 2.870 20 0 GFADRO COc1ccccc1[C@H]1CSCCCN1C(=O)c1csc(CC[NH3+])n1 ZINC000877453779 662876089 /nfs/dbraw/zinc/87/60/89/662876089.db2.gz HMMRPJJKCFLMDP-OAHLLOKOSA-N 1 0 377.535 2.973 20 0 GFADRO Cc1ccc(C[NH+]2CCC3(CC2)NC(=O)N(C)C3=O)c(C)c1Br ZINC000877527464 662878027 /nfs/dbraw/zinc/87/80/27/662878027.db2.gz NRSXNZJLUNOYBK-UHFFFAOYSA-N 1 0 380.286 2.582 20 0 GFADRO CCO[P@](C)(=O)CC[C@H](C)[NH2+]CCn1cc(Br)ccc1=O ZINC000877556301 662878789 /nfs/dbraw/zinc/87/87/89/662878789.db2.gz OTYUQFKCKMYDOP-QKVFXAPYSA-N 1 0 379.235 2.923 20 0 GFADRO CCO[P@](C)(=O)CC[C@H](C)[NH2+]C[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000877577202 662879311 /nfs/dbraw/zinc/87/93/11/662879311.db2.gz BUVAEQMCNOSJQJ-XHQUFGICSA-N 1 0 378.450 2.935 20 0 GFADRO C[N@H+](Cc1cnn2cc(Br)cnc12)C[C@](C)(O)c1ccccc1 ZINC000877599049 662879603 /nfs/dbraw/zinc/87/96/03/662879603.db2.gz OUYGRRHDBLLVBL-KRWDZBQOSA-N 1 0 375.270 2.831 20 0 GFADRO Cc1ccc(C[NH+]2CCC(n3cc(C(N)=O)nn3)CC2)c(C)c1Br ZINC000877654066 662880935 /nfs/dbraw/zinc/88/09/35/662880935.db2.gz VCKIGMIWLHYGML-UHFFFAOYSA-N 1 0 392.301 2.593 20 0 GFADRO CN1CC[NH+](C2CCN(Cc3ccc(Br)c(F)c3F)CC2)CC1 ZINC000877746898 662882731 /nfs/dbraw/zinc/88/27/31/662882731.db2.gz MAUIKSMMAMSPSR-UHFFFAOYSA-N 1 0 388.300 2.939 20 0 GFADRO CN1CC[NH+](C2CCN(Cc3ccccc3I)CC2)CC1 ZINC000877747335 662882771 /nfs/dbraw/zinc/88/27/71/662882771.db2.gz GZAGAZKGHHEGBO-UHFFFAOYSA-N 1 0 399.320 2.503 20 0 GFADRO Brc1cnc2c(CN3Cc4cccnc4N4CCC[C@H]4C3)cnn2c1 ZINC000877762523 662883169 /nfs/dbraw/zinc/88/31/69/662883169.db2.gz KQUWTDOMBPHBFZ-INIZCTEOSA-N 1 0 399.296 2.871 20 0 GFADRO Cn1nnnc1C1CC[NH+](CC2=Cc3cc(Br)ccc3OC2)CC1 ZINC000877782027 662883493 /nfs/dbraw/zinc/88/34/93/662883493.db2.gz VDAGNQOMBABYMP-UHFFFAOYSA-N 1 0 390.285 2.628 20 0 GFADRO CCOc1c(Br)cc(C[NH+]2CCC3(CCNC3=O)CC2)cc1OC ZINC000877783185 662883671 /nfs/dbraw/zinc/88/36/71/662883671.db2.gz IMKUTMXTOCVXLG-UHFFFAOYSA-N 1 0 397.313 2.959 20 0 GFADRO Cc1nc(CN2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)sc1Br ZINC000878323947 662893844 /nfs/dbraw/zinc/89/38/44/662893844.db2.gz FLUDVKPESMOYKN-JSGCOSHPSA-N 1 0 387.391 2.672 20 0 GFADRO COC(=O)C[C@](C)([NH2+]C[C@H](O)c1ccc(Br)cc1)c1ccccn1 ZINC000878457453 662896959 /nfs/dbraw/zinc/89/69/59/662896959.db2.gz VFEPNWPQCDHJNN-YJBOKZPZSA-N 1 0 393.281 2.946 20 0 GFADRO CN1CC[NH+](C2CCN(C(=O)Nc3ccc(Br)c(F)c3)CC2)CC1 ZINC000878815878 662906282 /nfs/dbraw/zinc/90/62/82/662906282.db2.gz KSJRKUPXNJHDOV-UHFFFAOYSA-N 1 0 399.308 2.832 20 0 GFADRO CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)Nc2c(F)cc(Br)cc2F)C1 ZINC000878820768 662906701 /nfs/dbraw/zinc/90/67/01/662906701.db2.gz VMTBCVGKGFVIRD-JTQLQIEISA-N 1 0 392.244 2.694 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)Cc2c(Br)cnn2C)C1 ZINC000878846383 662907175 /nfs/dbraw/zinc/90/71/75/662907175.db2.gz UWDGNTMPIQAGAO-CABCVRRESA-N 1 0 397.361 2.838 20 0 GFADRO C[C@@H](CNC(=O)c1cc(Br)ccc1C1CC1)C[NH+]1CCN(C)CC1 ZINC000879004834 662912859 /nfs/dbraw/zinc/91/28/59/662912859.db2.gz OHLGZAMMJLJRMN-AWEZNQCLSA-N 1 0 394.357 2.940 20 0 GFADRO COCCN(CC(=O)Nc1ccccc1Br)CC1CC[NH+](C)CC1 ZINC000879124743 662917895 /nfs/dbraw/zinc/91/78/95/662917895.db2.gz BPSCFQLTPBTXPM-UHFFFAOYSA-N 1 0 398.345 2.678 20 0 GFADRO CNC(=O)NC[C@H]1CCCC[N@@H+]1CCC(=O)Nc1ccccc1Br ZINC000879335193 662923503 /nfs/dbraw/zinc/92/35/03/662923503.db2.gz IWUCDQGUPUZMPD-CYBMUJFWSA-N 1 0 397.317 2.561 20 0 GFADRO CN1CC[NH+](C2CCN(CC(=O)Nc3cccc(Cl)c3Cl)CC2)CC1 ZINC000879592949 662930197 /nfs/dbraw/zinc/93/01/97/662930197.db2.gz RJVPQQPIFSITCS-UHFFFAOYSA-N 1 0 385.339 2.644 20 0 GFADRO C[C@H](C[N@@H+]1CC[C@@](CNC(=O)OC(C)(C)C)(C(C)(C)C)C1)S(C)(=O)=O ZINC000879652668 662934076 /nfs/dbraw/zinc/93/40/76/662934076.db2.gz CCGIZRKFOXNCPM-KDOFPFPSSA-N 1 0 376.563 2.682 20 0 GFADRO COC[C@@H]([NH2+]CCc1nnn(C(C)(C)C)n1)c1cccc(Br)c1 ZINC000879663604 662935061 /nfs/dbraw/zinc/93/50/61/662935061.db2.gz MRWVVTQOIQSJKF-CQSZACIVSA-N 1 0 382.306 2.710 20 0 GFADRO Cc1nn(C)c(NC(=O)N2CCC3(CC2)CC[NH+](C)CC3)c1Br ZINC000879704100 662937278 /nfs/dbraw/zinc/93/72/78/662937278.db2.gz KWGYBVQFWSBVTQ-UHFFFAOYSA-N 1 0 384.322 2.831 20 0 GFADRO CC[C@@H](C)[NH2+][C@H](CNC(=O)Cc1c(Br)cnn1C)c1ccco1 ZINC000879927070 662942515 /nfs/dbraw/zinc/94/25/15/662942515.db2.gz LPQDHFNWBJEJCV-DGCLKSJQSA-N 1 0 383.290 2.564 20 0 GFADRO CC(C)(C)OC(=O)NC[C@@H]1C[N@H+](CCOCC(F)F)C[C@H]1C(F)(F)F ZINC000880026084 662945662 /nfs/dbraw/zinc/94/56/62/662945662.db2.gz DUMBASARZXUHLH-GHMZBOCLSA-N 1 0 376.366 2.903 20 0 GFADRO Cn1cc(NC(=O)N[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)c(Br)n1 ZINC000880064321 662949576 /nfs/dbraw/zinc/94/95/76/662949576.db2.gz MPNAYKIAULUMBR-KRWDZBQOSA-N 1 0 392.301 2.969 20 0 GFADRO O=C(CN1C[C@@H]2CCC[N@H+]2C[C@@H]1CO)Nc1c(Cl)cc(Cl)cc1Cl ZINC000880071687 662950266 /nfs/dbraw/zinc/95/02/66/662950266.db2.gz HCJBSGLGZOJZBL-NWDGAFQWSA-N 1 0 392.714 2.726 20 0 GFADRO CN(Cc1cc(Br)cs1)C(=O)CN1CC[C@@H]2[C@@H]1CCC[N@@H+]2C ZINC000880131999 662952172 /nfs/dbraw/zinc/95/21/72/662952172.db2.gz DECRFEBUXRIAGP-CABCVRRESA-N 1 0 386.359 2.638 20 0 GFADRO Brc1cc2c(cc1CN1CCC[C@H]([NH2+]C3CCOCC3)C1)OCO2 ZINC000880210445 662954560 /nfs/dbraw/zinc/95/45/60/662954560.db2.gz BHBKCAMUNJXZQT-HNNXBMFYSA-N 1 0 397.313 2.911 20 0 GFADRO C[C@@H](c1ccccc1)[NH+]1CCN(C[C@H](O)c2cc(Br)no2)CC1 ZINC000880251204 662956588 /nfs/dbraw/zinc/95/65/88/662956588.db2.gz JWZQFFMASZARJZ-ZFWWWQNUSA-N 1 0 380.286 2.849 20 0 GFADRO CC[C@@H]([NH2+]Cc1cc(=O)n2cc(Br)ccc2n1)[C@H]1CCCOC1 ZINC000880470390 662960482 /nfs/dbraw/zinc/96/04/82/662960482.db2.gz ZRUBOEZATFUJQU-SWLSCSKDSA-N 1 0 380.286 2.752 20 0 GFADRO O[C@@H](C[N@H+]1Cc2ccccc2N2CCC[C@H]2C1)c1cc(Br)no1 ZINC000880555403 662962398 /nfs/dbraw/zinc/96/23/98/662962398.db2.gz JAXSNGFTQLPYER-ZFWWWQNUSA-N 1 0 378.270 2.955 20 0 GFADRO CC[N@H+]1[C@H](C)CN(C(=O)C[C@](O)(c2nc(C)cs2)C(F)(F)F)C[C@@H]1C ZINC000880608394 662964120 /nfs/dbraw/zinc/96/41/20/662964120.db2.gz AAMGHYWBYMBYOX-ZOWXZIJZSA-N 1 0 379.448 2.533 20 0 GFADRO CC(C)N(CC[NH+](C)C)C(=O)Nc1cc(Br)cc2c1NC(=O)CO2 ZINC000881271726 662987429 /nfs/dbraw/zinc/98/74/29/662987429.db2.gz UAARKGPRXROCJR-UHFFFAOYSA-N 1 0 399.289 2.584 20 0 GFADRO CCC1([NH+](C)C)CCN(C(=O)c2cccnc2I)CC1 ZINC000881284777 662988809 /nfs/dbraw/zinc/98/88/09/662988809.db2.gz RRNBCXQAMJQYGV-UHFFFAOYSA-N 1 0 387.265 2.633 20 0 GFADRO [NH3+][C@@H](c1cn(Cc2nccn2CC(F)F)nn1)c1ccc(Br)cc1 ZINC000881363651 662991431 /nfs/dbraw/zinc/99/14/31/662991431.db2.gz RTEIDGBTBUWHRA-OAHLLOKOSA-N 1 0 397.227 2.599 20 0 GFADRO C[C@](O)(Cn1cc(C[NH2+]C2CC2)nn1)c1ccc(Br)cc1Cl ZINC000881425110 662993789 /nfs/dbraw/zinc/99/37/89/662993789.db2.gz SEMBEDYKAUPYAJ-HNNXBMFYSA-N 1 0 385.693 2.854 20 0 GFADRO O=C(c1cc(Br)ccc1O)N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000881468615 662995188 /nfs/dbraw/zinc/99/51/88/662995188.db2.gz FHHPHJPIGYWJKT-AWEZNQCLSA-N 1 0 383.286 2.528 20 0 GFADRO Cc1sc(Br)nc1C(=O)N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000881476290 662995522 /nfs/dbraw/zinc/99/55/22/662995522.db2.gz NHJVOJDIEGOBED-GFCCVEGCSA-N 1 0 388.331 2.587 20 0 GFADRO CCC[NH+]1CCC(NS(=O)(=O)c2cnc(Cl)cc2C(F)(F)F)CC1 ZINC000881760759 663002086 /nfs/dbraw/zinc/00/20/86/663002086.db2.gz KGXVBTUIGDUNRX-UHFFFAOYSA-N 1 0 385.839 2.907 20 0 GFADRO C[C@@H](C[NH+](C)C)[C@H]1CCCCN1S(=O)(=O)c1cncc(Br)c1 ZINC000882431017 663027541 /nfs/dbraw/zinc/02/75/41/663027541.db2.gz HSSZLFPXYRSMIE-SWLSCSKDSA-N 1 0 390.347 2.585 20 0 GFADRO CN(CCCC[NH+]1CCCCC1)S(=O)(=O)N=[S@@](C)(=O)c1ccccc1 ZINC000882798170 663042354 /nfs/dbraw/zinc/04/23/54/663042354.db2.gz VZXQMVBLXKWIFJ-DEOSSOPVSA-N 1 0 387.571 2.586 20 0 GFADRO CCS(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2c3c(nn2C)CCSC3)cc1 ZINC000883113903 663049767 /nfs/dbraw/zinc/04/97/67/663049767.db2.gz GSHVBINJGQJYJU-ZDUSSCGKSA-N 1 0 379.551 2.854 20 0 GFADRO O=C(NCc1ccccc1Br)N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000883232750 663051746 /nfs/dbraw/zinc/05/17/46/663051746.db2.gz QZLRSLFYOHTFAC-MRXNPFEDSA-N 1 0 396.329 2.892 20 0 GFADRO O=S1(=O)CCC[C@@H]1CC[NH2+]Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000883300199 663053003 /nfs/dbraw/zinc/05/30/03/663053003.db2.gz QFWSKLHAPDNWBC-MRXNPFEDSA-N 1 0 398.326 2.692 20 0 GFADRO C[NH2+]C[C@H]1CCCCN1S(=O)(=O)c1cc(C(=O)OC)c(Cl)cc1Cl ZINC000883474399 663055789 /nfs/dbraw/zinc/05/57/89/663055789.db2.gz NUEKBYWXDOVFLV-SNVBAGLBSA-N 1 0 395.308 2.543 20 0 GFADRO CC(C)(C)c1ccc(S(=O)(=O)N2CCc3sc(C[NH3+])nc3C2)cc1F ZINC000883480375 663055954 /nfs/dbraw/zinc/05/59/54/663055954.db2.gz AOJJUVWZJKBXHW-UHFFFAOYSA-N 1 0 383.514 2.785 20 0 GFADRO COc1cc(NC(=O)N2CCc3sc(C[NH3+])nc3C2)ccc1Br ZINC000883543965 663056895 /nfs/dbraw/zinc/05/68/95/663056895.db2.gz AZQCXLLBUOVITP-UHFFFAOYSA-N 1 0 397.298 2.963 20 0 GFADRO C[NH2+]C[C@H]1CCCCN1C(=O)Nc1cc(Br)cnc1-n1cccn1 ZINC000883555070 663057019 /nfs/dbraw/zinc/05/70/19/663057019.db2.gz NXSKAGNMJIWFML-CYBMUJFWSA-N 1 0 393.289 2.636 20 0 GFADRO CCC1([NH3+])CCN(C(=O)C(=O)Nc2c(C)ccc(F)c2Br)CC1 ZINC000883627096 663058231 /nfs/dbraw/zinc/05/82/31/663058231.db2.gz QVMFJANNPFBJBR-UHFFFAOYSA-N 1 0 386.265 2.565 20 0 GFADRO CCC1([NH3+])CCN(C(=O)C(=O)Nc2c(C)cc(Br)cc2C)CC1 ZINC000883629498 663058340 /nfs/dbraw/zinc/05/83/40/663058340.db2.gz WVYSLVYRRUGWBA-UHFFFAOYSA-N 1 0 382.302 2.734 20 0 GFADRO CC(C)(C)C(=O)N1CCC(NC(=O)[C@H]([NH3+])c2ccc(Br)cc2)CC1 ZINC000884070460 663064508 /nfs/dbraw/zinc/06/45/08/663064508.db2.gz MLYIBFFLWGJQLL-OAHLLOKOSA-N 1 0 396.329 2.602 20 0 GFADRO C[C@@H](c1cccs1)N(Cc1ccccc1)C(=O)[C@@H]([NH3+])CCS(C)(=O)=O ZINC000884088475 663064842 /nfs/dbraw/zinc/06/48/42/663064842.db2.gz KRNMIYJMJKUBDP-HOCLYGCPSA-N 1 0 380.535 2.600 20 0 GFADRO C[NH2+][C@@H](CC(C)C)C(=O)Nc1cc(S(=O)(=O)C(F)(F)F)ccc1OC ZINC000884118180 663065512 /nfs/dbraw/zinc/06/55/12/663065512.db2.gz WSJSRUDLWMCWST-LBPRGKRZSA-N 1 0 382.404 2.561 20 0 GFADRO COCC[C@H]([NH3+])C(=O)Nc1cc(-c2cc(Br)ccc2Cl)[nH]n1 ZINC000884116814 663065546 /nfs/dbraw/zinc/06/55/46/663065546.db2.gz GTPSHNHPNZZFGR-NSHDSACASA-N 1 0 387.665 2.795 20 0 GFADRO [NH3+][C@@H](C(=O)NCCc1ccc2c(c1)CCO2)c1ccc(Br)cc1 ZINC000884136314 663065758 /nfs/dbraw/zinc/06/57/58/663065758.db2.gz JDJDMWIYWLVNRN-QGZVFWFLSA-N 1 0 375.266 2.743 20 0 GFADRO [NH3+][C@H](C(=O)NC[C@H](CCO)c1ccccc1)c1ccc(Br)cc1 ZINC000884139748 663065830 /nfs/dbraw/zinc/06/58/30/663065830.db2.gz AMVJQKWAWBPTLJ-RDJZCZTQSA-N 1 0 377.282 2.731 20 0 GFADRO C[C@@H]1CN(C(=O)c2cc(Br)nn2-c2ncccc2Cl)[C@@H](C)C[NH2+]1 ZINC000884245517 663067559 /nfs/dbraw/zinc/06/75/59/663067559.db2.gz XHCZUDIAUDXLRR-ZJUUUORDSA-N 1 0 398.692 2.506 20 0 GFADRO O=C(COCCc1ccc(Br)cc1)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000884470333 663071168 /nfs/dbraw/zinc/07/11/68/663071168.db2.gz LKODBHRFKZKWNL-ACHSLPGTSA-N 1 0 381.314 2.655 20 0 GFADRO C[C@@H](NC(=O)C(=O)NC[C@H]1C[NH2+]CCC1(F)F)c1cccc(Cl)c1Cl ZINC000884532019 663072212 /nfs/dbraw/zinc/07/22/12/663072212.db2.gz AGSFTIJVSDQKSB-NXEZZACHSA-N 1 0 394.249 2.532 20 0 GFADRO O=S(=O)(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(OCC(F)(F)F)cc1 ZINC000884949938 663079273 /nfs/dbraw/zinc/07/92/73/663079273.db2.gz ITMWPKWKZPDRIZ-STQMWFEESA-N 1 0 378.416 2.533 20 0 GFADRO O=S(=O)(/C=C\c1ccccc1Br)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000884950185 663079290 /nfs/dbraw/zinc/07/92/90/663079290.db2.gz LXZPFPPKUBGJPV-DLTMEVEPSA-N 1 0 385.327 2.966 20 0 GFADRO Cc1cc(Br)ccc1CS(=O)(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000885031579 663083354 /nfs/dbraw/zinc/08/33/54/663083354.db2.gz MFFJNZNCQNZPSO-CZUORRHYSA-N 1 0 389.359 2.859 20 0 GFADRO C[C@H]1CN(c2cc[nH+]cc2)CCN1S(=O)(=O)CC[C@H]1CC1(Cl)Cl ZINC000885848134 663099126 /nfs/dbraw/zinc/09/91/26/663099126.db2.gz PBKFGRKDXAMMDH-STQMWFEESA-N 1 0 378.325 2.506 20 0 GFADRO O=C(NC[C@@H]1CC[N@@H+]1C1CCOCC1)c1cnc(CCC(F)(F)F)s1 ZINC000885855612 663099231 /nfs/dbraw/zinc/09/92/31/663099231.db2.gz VZXAXLFMDIEUNS-LBPRGKRZSA-N 1 0 377.432 2.621 20 0 GFADRO O=C(CSc1nc2ccccc2s1)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000885858812 663099412 /nfs/dbraw/zinc/09/94/12/663099412.db2.gz RCKQEUJAXSYVJW-CQSZACIVSA-N 1 0 377.535 2.758 20 0 GFADRO O=C(c1ccc(Br)cc1)N1CC[NH+](C[C@@H]2C[C@@]23CCOC3)CC1 ZINC000885980349 663102242 /nfs/dbraw/zinc/10/22/42/663102242.db2.gz ZHUMIQQNTFGVOG-MAUKXSAKSA-N 1 0 379.298 2.634 20 0 GFADRO O=S(=O)(C(F)F)N1CCC(C[NH2+][C@H]2CCOC3(CCCCC3)C2)CC1 ZINC000885981427 663102404 /nfs/dbraw/zinc/10/24/04/663102404.db2.gz FOWVHLUOGCXTPO-HNNXBMFYSA-N 1 0 380.501 2.722 20 0 GFADRO O=C1NC(=O)C2(CC[NH+](Cc3cc(Br)c4ccccc4c3)CC2)N1 ZINC000886090186 663103062 /nfs/dbraw/zinc/10/30/62/663103062.db2.gz ROVRNVHJRVLRRP-UHFFFAOYSA-N 1 0 388.265 2.776 20 0 GFADRO O=S(=O)(CCC[NH2+][C@H]1CCOC2(CCOCC2)C1)c1ccc(Cl)cc1 ZINC000886127278 663103713 /nfs/dbraw/zinc/10/37/13/663103713.db2.gz GRCZOEUPYNQNTQ-INIZCTEOSA-N 1 0 387.929 2.822 20 0 GFADRO OC[C@@H](C[C@@H]1CCCO1)[NH2+]Cc1c(F)ccc(I)c1F ZINC000886223044 663105153 /nfs/dbraw/zinc/10/51/53/663105153.db2.gz FMSIMLOGDLTIFD-ZJUUUORDSA-N 1 0 397.203 2.589 20 0 GFADRO Cc1nn(-c2ccccc2Br)cc1C[NH2+][C@@H](CO)C[C@H]1CCCO1 ZINC000886219926 663105193 /nfs/dbraw/zinc/10/51/93/663105193.db2.gz AFLGBCVMMDRPRD-HZPDHXFCSA-N 1 0 394.313 2.963 20 0 GFADRO C[NH+]1CCC(OCC(=O)N2CCc3cc(F)c(Br)cc3C2)CC1 ZINC000886286169 663107128 /nfs/dbraw/zinc/10/71/28/663107128.db2.gz FRIQVICEWOFHJG-UHFFFAOYSA-N 1 0 385.277 2.584 20 0 GFADRO CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]C[C@@H]1CC[C@@]2(CO[C@@H](C)C2)O1 ZINC000886332228 663108425 /nfs/dbraw/zinc/10/84/25/663108425.db2.gz QKUIRMNIRHJDKG-DHSIGJKJSA-N 1 0 387.929 2.950 20 0 GFADRO COc1ccc(C[NH2+]C[C@@H]2CC[C@@]3(CO[C@@H](C)C3)O2)c(Br)c1O ZINC000886332637 663108582 /nfs/dbraw/zinc/10/85/82/663108582.db2.gz XCHXFFWOODETFX-PLQHRBFRSA-N 1 0 386.286 2.980 20 0 GFADRO COC[C@@H]([NH2+]Cc1cccc(I)c1)[C@H]1CCCOC1 ZINC000886357179 663108819 /nfs/dbraw/zinc/10/88/19/663108819.db2.gz CFQJESVYWLXSJV-DZGCQCFKSA-N 1 0 375.250 2.822 20 0 GFADRO CN(Cc1cc(Br)cs1)C(=O)C[N@@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000886561895 663113866 /nfs/dbraw/zinc/11/38/66/663113866.db2.gz LUZYXHNVBVVLHN-PHIMTYICSA-N 1 0 375.357 2.764 20 0 GFADRO C[C@H]([NH2+][C@@H](CO)C[C@H]1CCCO1)c1ccccc1I ZINC000886666714 663115498 /nfs/dbraw/zinc/11/54/98/663115498.db2.gz YPRUITOJFJBOCM-YNEHKIRRSA-N 1 0 375.250 2.872 20 0 GFADRO COC[C@H]([NH2+][C@@H]1CCN(c2cccc(Br)c2)C1=O)[C@H]1CCCOC1 ZINC000886915776 663124897 /nfs/dbraw/zinc/12/48/97/663124897.db2.gz JSOSBKVCUDKGSL-XKQJLSEDSA-N 1 0 397.313 2.586 20 0 GFADRO O=C(NC[C@@H]1C[NH2+]CCC1(F)F)Nc1cccc(I)c1 ZINC000886926353 663125097 /nfs/dbraw/zinc/12/50/97/663125097.db2.gz KELLRTVNOYCQPA-VIFPVBQESA-N 1 0 395.191 2.658 20 0 GFADRO CCOC(=O)c1cc(CC)sc1NC(=O)NC[C@H]1C[NH2+]CCC1(F)F ZINC000886936924 663125317 /nfs/dbraw/zinc/12/53/17/663125317.db2.gz OUJRMWPSRJTYLP-SNVBAGLBSA-N 1 0 375.441 2.854 20 0 GFADRO [NH3+]C[C@@H]1CC[C@H](NC(=O)C(=O)Nc2cc(Br)c3ccccc3c2)C1 ZINC000886983584 663127345 /nfs/dbraw/zinc/12/73/45/663127345.db2.gz CGWNMYXRYLCTNL-YPMHNXCESA-N 1 0 390.281 2.784 20 0 GFADRO [NH3+][C@@H]1CCCN(Cc2cn(Cc3oc4ccccc4c3Br)nn2)C1 ZINC000887449553 663147151 /nfs/dbraw/zinc/14/71/51/663147151.db2.gz ZORNLTBUCNCEST-GFCCVEGCSA-N 1 0 390.285 2.758 20 0 GFADRO CC[C@@](O)(CCC(F)(F)F)CNC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000887510450 663150239 /nfs/dbraw/zinc/15/02/39/663150239.db2.gz HUDXRXTWFHRXPG-GDBMZVCRSA-N 1 0 382.492 2.804 20 0 GFADRO C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3[C@@H]4Cc5c(cccc5Br)[C@@H]43)C[C@]2(C)C1 ZINC000887921760 663169948 /nfs/dbraw/zinc/16/99/48/663169948.db2.gz QVWWLANDPTUDSC-GPRNFGOXSA-N 1 0 375.310 2.745 20 0 GFADRO C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)Nc1cc(Br)ccn1 ZINC000888029983 663176072 /nfs/dbraw/zinc/17/60/72/663176072.db2.gz RITVUQMPOZLBQM-GFCCVEGCSA-N 1 0 376.258 2.982 20 0 GFADRO C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000889745681 663262506 /nfs/dbraw/zinc/26/25/06/663262506.db2.gz YBNMMDNRBIJXFA-RCBQFDQVSA-N 1 0 387.307 2.818 20 0 GFADRO Cc1ccc(CCC(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)c(Br)c1 ZINC000889754876 663263347 /nfs/dbraw/zinc/26/33/47/663263347.db2.gz CCRYMXONTRMVAQ-ZWKOTPCHSA-N 1 0 395.341 2.748 20 0 GFADRO O=C(c1ccc(Br)c(Cl)c1)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000889760527 663264144 /nfs/dbraw/zinc/26/41/44/663264144.db2.gz AKHZLIOARHHWAV-CABCVRRESA-N 1 0 387.705 2.774 20 0 GFADRO O=C(CCCc1ccccc1Br)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000889761530 663264586 /nfs/dbraw/zinc/26/45/86/663264586.db2.gz GSKJXVSMZYWEGC-QZTJIDSGSA-N 1 0 395.341 2.829 20 0 GFADRO CC(C)n1cc(Br)cc1C(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000889770380 663265347 /nfs/dbraw/zinc/26/53/47/663265347.db2.gz ZXGGIMPKJGMXRI-HUUCEWRRSA-N 1 0 384.318 2.503 20 0 GFADRO O=C(c1c(Br)nc2n1CCCC2)N1CCC([NH2+]C2CCC2)CC1 ZINC000889823924 663270546 /nfs/dbraw/zinc/27/05/46/663270546.db2.gz PWQQOAHNJSIYOP-UHFFFAOYSA-N 1 0 381.318 2.729 20 0 GFADRO CC(C)CN(C(=O)c1nn2c(c1Br)CCC2)C1CC[NH+](C)CC1 ZINC000890986584 663320062 /nfs/dbraw/zinc/32/00/62/663320062.db2.gz KODLTUKJPVVNQL-UHFFFAOYSA-N 1 0 383.334 2.784 20 0 GFADRO CCN(C(=O)N[C@@H](C)c1cc2c(cc1Br)OCCO2)[C@@H]1CC[NH2+]C1 ZINC000891393550 663338047 /nfs/dbraw/zinc/33/80/47/663338047.db2.gz AANJAMPIZYKTIA-NWDGAFQWSA-N 1 0 398.301 2.675 20 0 GFADRO C[C@H]1C[C@H]([NH3+])CN1C(=O)NCC1(c2cccc(Br)c2)CCOCC1 ZINC000891395771 663338262 /nfs/dbraw/zinc/33/82/62/663338262.db2.gz XEIUATBJGZLZQE-BBRMVZONSA-N 1 0 396.329 2.628 20 0 GFADRO Cc1cc(Cl)ccc1OCCCNC(=O)NC[C@H]1C[NH2+]CCC1(F)F ZINC000891424956 663339366 /nfs/dbraw/zinc/33/93/66/663339366.db2.gz UNTFETHTNIZCQD-CYBMUJFWSA-N 1 0 375.847 2.961 20 0 GFADRO COCCC1(NC(=O)NCc2nc3cc(Cl)ccc3s2)CC[NH2+]CC1 ZINC000891437050 663339552 /nfs/dbraw/zinc/33/95/52/663339552.db2.gz DKWSLBLNIATNDD-UHFFFAOYSA-N 1 0 382.917 2.908 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)NCCC(C)(C)[NH3+] ZINC000891465186 663340230 /nfs/dbraw/zinc/34/02/30/663340230.db2.gz QFTDBLCNUZSEFK-UHFFFAOYSA-N 1 0 385.306 2.513 20 0 GFADRO Cn1nc(CNC(=O)NC[C@@H](c2cccs2)[NH+](C)C)cc1C(F)(F)F ZINC000891509162 663341847 /nfs/dbraw/zinc/34/18/47/663341847.db2.gz PFXAFGICXAGPPB-NSHDSACASA-N 1 0 375.420 2.603 20 0 GFADRO Nc1cc[nH+]c(CNC(=O)NCC2(c3cccc(Br)c3)CC2)c1 ZINC000891561047 663343847 /nfs/dbraw/zinc/34/38/47/663343847.db2.gz TYWKTHLIENVALK-UHFFFAOYSA-N 1 0 375.270 2.957 20 0 GFADRO CCN(C(=O)NCCOc1ncc(C(F)(F)F)cc1Cl)[C@H]1CC[NH2+]C1 ZINC000891597135 663345068 /nfs/dbraw/zinc/34/50/68/663345068.db2.gz KJBLYBAWOZATAB-NSHDSACASA-N 1 0 380.798 2.526 20 0 GFADRO CO[C@H](CNC(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1)c1cccc(Cl)c1 ZINC000891617527 663345463 /nfs/dbraw/zinc/34/54/63/663345463.db2.gz URUKNBGNPGVRQP-MRVWCRGKSA-N 1 0 379.810 2.806 20 0 GFADRO Cc1cccc(CNC(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)c1Br ZINC000891840353 663352479 /nfs/dbraw/zinc/35/24/79/663352479.db2.gz XUMNHPFJCFKHBG-HNNXBMFYSA-N 1 0 396.329 2.715 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)NCCOc2ccc(Cl)c(F)c2)C[C@@H]1C(F)(F)F ZINC000891936414 663356116 /nfs/dbraw/zinc/35/61/16/663356116.db2.gz RMILJORFSHXRLP-ONGXEEELSA-N 1 0 383.773 2.637 20 0 GFADRO CCC1([NH+]2CCC2)CCN(C(=O)C(=O)Nc2ccccc2Br)CC1 ZINC000891962644 663356510 /nfs/dbraw/zinc/35/65/10/663356510.db2.gz NFELPSGGSYMPFD-UHFFFAOYSA-N 1 0 394.313 2.865 20 0 GFADRO COC[C@H](NC(=O)NC[C@@]1(C)CCC[NH2+]C1)c1cccc(Br)c1 ZINC000892057203 663360693 /nfs/dbraw/zinc/36/06/93/663360693.db2.gz MBEKBCHWNGMMBV-RDJZCZTQSA-N 1 0 384.318 2.826 20 0 GFADRO COc1ccc(Br)c(CNC(=O)N2CCC23CC[NH+](C)CC3)c1 ZINC000892138112 663363099 /nfs/dbraw/zinc/36/30/99/663363099.db2.gz APCGEBBQHMBXJY-UHFFFAOYSA-N 1 0 382.302 2.837 20 0 GFADRO C[C@H](CCC[NH3+])NC(=O)NCc1ccn(-c2ccc(Br)cc2)n1 ZINC000892143140 663363322 /nfs/dbraw/zinc/36/33/22/663363322.db2.gz XHZMEBUVFXSMTG-GFCCVEGCSA-N 1 0 380.290 2.561 20 0 GFADRO O=C(N[C@H]1[C@@H]2Cc3cc(Br)ccc3[C@@H]21)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000892191722 663365576 /nfs/dbraw/zinc/36/55/76/663365576.db2.gz QIWQNAOMNIKWPD-PZVLKZJISA-N 1 0 390.325 2.775 20 0 GFADRO O=C(Cc1cccc(F)c1)NCC[NH2+]Cc1cnc(CC(F)(F)F)s1 ZINC000892396563 663372090 /nfs/dbraw/zinc/37/20/90/663372090.db2.gz CUKIAQLDNBWVKS-UHFFFAOYSA-N 1 0 375.391 2.836 20 0 GFADRO O=C(N[C@H]1[C@@H]2Cc3cc(Br)ccc3[C@@H]21)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000892425416 663373193 /nfs/dbraw/zinc/37/31/93/663373193.db2.gz BDUSIHLFBYTRGI-XAJHFOFHSA-N 1 0 376.298 2.623 20 0 GFADRO CC(=O)Nc1cc(Br)ccc1C[NH2+]CC(C)(C)N1CCOCC1 ZINC000892440595 663373735 /nfs/dbraw/zinc/37/37/35/663373735.db2.gz UHQOZMHMZVCAJO-UHFFFAOYSA-N 1 0 384.318 2.608 20 0 GFADRO CCS(=O)(=O)N1CCC([NH2+]CCc2cccc(OC(F)(F)F)c2)CC1 ZINC000892540694 663376746 /nfs/dbraw/zinc/37/67/46/663376746.db2.gz PRWWTXHBKJZYAA-UHFFFAOYSA-N 1 0 380.432 2.531 20 0 GFADRO Cc1ncc(I)c(N2CCC[C@H]([NH+]3CCCC3)CC2)n1 ZINC000892618810 663378884 /nfs/dbraw/zinc/37/88/84/663378884.db2.gz NOOKHCDBWFEYRX-ZDUSSCGKSA-N 1 0 386.281 2.844 20 0 GFADRO COc1cc([C@@H](C)[NH2+]Cc2ncc(Br)cc2O)ccc1OCCO ZINC000892672872 663380855 /nfs/dbraw/zinc/38/08/55/663380855.db2.gz YGVXNGXPDHUDSY-LLVKDONJSA-N 1 0 397.269 2.780 20 0 GFADRO C[C@H]([NH2+]C[C@@H]1C[C@]1(C)Br)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000892858007 663387033 /nfs/dbraw/zinc/38/70/33/663387033.db2.gz MWVULEQZXZGNHM-WHOFXGATSA-N 1 0 375.332 2.761 20 0 GFADRO CS(=O)(=O)c1ccc(OCC[NH2+]Cc2cnc(CC(F)(F)F)s2)cc1 ZINC000892880734 663388135 /nfs/dbraw/zinc/38/81/35/663388135.db2.gz HRJKGPPLNYRFCV-UHFFFAOYSA-N 1 0 394.440 2.820 20 0 GFADRO CCc1nnc(C[NH2+]CCc2ccc(S(=O)(=O)N(CC)CC)s2)s1 ZINC000892903019 663388911 /nfs/dbraw/zinc/38/89/11/663388911.db2.gz NACLBWLQVPKGHF-UHFFFAOYSA-N 1 0 388.584 2.525 20 0 GFADRO CCN(CC)S(=O)(=O)c1ccc(CC[NH2+]Cc2ccc(OC)cn2)s1 ZINC000892903907 663389182 /nfs/dbraw/zinc/38/91/82/663389182.db2.gz ZLOWOFKKQCHCIR-UHFFFAOYSA-N 1 0 383.539 2.515 20 0 GFADRO CC(C)NS(=O)(=O)Cc1ccccc1C[NH2+]C[C@H]1C[C@]1(C)Br ZINC000892923584 663389877 /nfs/dbraw/zinc/38/98/77/663389877.db2.gz ZTXOOAVKJNXNJD-CVEARBPZSA-N 1 0 389.359 2.778 20 0 GFADRO C[C@H]([NH2+]CCOc1ncc(C(F)(F)F)cc1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000893020364 663393442 /nfs/dbraw/zinc/39/34/42/663393442.db2.gz IEECRJLCPUDQPV-UWVGGRQHSA-N 1 0 386.823 2.545 20 0 GFADRO CC(=O)Nc1cc(Br)ccc1C[NH2+]CCCOC[C@@H]1CCOC1 ZINC000893036880 663394080 /nfs/dbraw/zinc/39/40/80/663394080.db2.gz FKCJSSWCOZXVTP-AWEZNQCLSA-N 1 0 385.302 2.940 20 0 GFADRO CCOC(=O)c1ncc(C[NH2+]CCOc2ncccc2C(F)(F)F)s1 ZINC000893206966 663401663 /nfs/dbraw/zinc/40/16/63/663401663.db2.gz WXMLKTUTABPSBQ-UHFFFAOYSA-N 1 0 375.372 2.902 20 0 GFADRO COC1CCN(CC[NH2+]Cc2ccc(Br)cc2NC(C)=O)CC1 ZINC000893361267 663408263 /nfs/dbraw/zinc/40/82/63/663408263.db2.gz JWUSZASMFMIHIG-UHFFFAOYSA-N 1 0 384.318 2.608 20 0 GFADRO NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)/C=C/c2ccc(Cl)s2)CC1 ZINC000893424019 663410589 /nfs/dbraw/zinc/41/05/89/663410589.db2.gz AKHRLPUVGNKMDU-FNORWQNLSA-N 1 0 381.929 2.747 20 0 GFADRO COc1cc(Br)ccc1CCC[NH2+][C@H](C)[C@@H]1CCS(=O)(=O)C1 ZINC000893528434 663414201 /nfs/dbraw/zinc/41/42/01/663414201.db2.gz XHTHUANEJGUPJN-TZMCWYRMSA-N 1 0 390.343 2.803 20 0 GFADRO CCNC(=O)C1(C[NH2+]Cc2ccc(Br)cc2NC(C)=O)CCC1 ZINC000894007288 663436713 /nfs/dbraw/zinc/43/67/13/663436713.db2.gz ISXCTWKYFUWFHH-UHFFFAOYSA-N 1 0 382.302 2.804 20 0 GFADRO Cn1nc(Br)nc1CNc1cccc(C[NH+]2CCSCC2)c1 ZINC000894121709 663444035 /nfs/dbraw/zinc/44/40/35/663444035.db2.gz FSAHSVSUEUCWHN-UHFFFAOYSA-N 1 0 382.331 2.739 20 0 GFADRO C[C@H]([NH2+][C@@H](CO)c1ccc(Cl)cc1C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 ZINC000894181873 663447247 /nfs/dbraw/zinc/44/72/47/663447247.db2.gz AMDVFMQJFZNKDN-RBZYPMLTSA-N 1 0 385.835 2.805 20 0 GFADRO Cn1nc(Br)nc1C[NH2+]CC1(c2ccc(F)cc2)CCOCC1 ZINC000894200602 663448174 /nfs/dbraw/zinc/44/81/74/663448174.db2.gz NWZILNGHQCWRJL-UHFFFAOYSA-N 1 0 383.265 2.555 20 0 GFADRO Cc1ccccc1C1(C[NH2+]Cc2nc(Br)nn2C)CCOCC1 ZINC000894203370 663448405 /nfs/dbraw/zinc/44/84/05/663448405.db2.gz RAAWOWSZZOFJPV-UHFFFAOYSA-N 1 0 379.302 2.724 20 0 GFADRO Cn1ncc(I)c1C[NH2+]CCc1cc(F)cc(F)c1 ZINC000894220204 663449353 /nfs/dbraw/zinc/44/93/53/663449353.db2.gz PIPUZARXPYNRFH-UHFFFAOYSA-N 1 0 377.176 2.635 20 0 GFADRO O=S(=O)(c1ccccc1)C1CC([NH2+]C2CCN(c3nccs3)CC2)C1 ZINC000894240953 663450266 /nfs/dbraw/zinc/45/02/66/663450266.db2.gz UWKQXWMZFAOZEZ-UHFFFAOYSA-N 1 0 377.535 2.706 20 0 GFADRO COC(=O)[C@H]1[C@H](C[NH2+]Cc2cc(Br)c(OC)c(OC)c2)C1(F)F ZINC000894244262 663450667 /nfs/dbraw/zinc/45/06/67/663450667.db2.gz WJLIRNRJKOSKJN-JOYOIKCWSA-N 1 0 394.212 2.610 20 0 GFADRO O=S(=O)(C1CC1)N1CCC([NH2+]Cc2cc3ccnc(Cl)c3s2)CC1 ZINC000894339156 663455702 /nfs/dbraw/zinc/45/57/02/663455702.db2.gz RDAYDUSDANPXDJ-UHFFFAOYSA-N 1 0 385.942 2.996 20 0 GFADRO Cn1cc(C[NH2+][C@@H]2CCO[C@@H](C(C)(C)C)C2)c(I)n1 ZINC000894367026 663458469 /nfs/dbraw/zinc/45/84/69/663458469.db2.gz QOSZYGLRAKSCGQ-VXGBXAGGSA-N 1 0 377.270 2.708 20 0 GFADRO CC(C)C[C@H]1OCCC[C@@H]1[NH2+]Cc1c(I)cnn1C ZINC000894491769 663464905 /nfs/dbraw/zinc/46/49/05/663464905.db2.gz SYHCOKWFXBSTBR-GXTWGEPZSA-N 1 0 377.270 2.708 20 0 GFADRO CC(C)C[C@H]1OCCC[C@H]1[NH2+]Cc1c(I)cnn1C ZINC000894491772 663465058 /nfs/dbraw/zinc/46/50/58/663465058.db2.gz SYHCOKWFXBSTBR-TZMCWYRMSA-N 1 0 377.270 2.708 20 0 GFADRO C[C@H](NC(=O)NCc1ncc(Br)cn1)[C@H](c1ccccc1)[NH+](C)C ZINC000894749658 663479436 /nfs/dbraw/zinc/47/94/36/663479436.db2.gz BFDAXRHJPYNTAG-BLLLJJGKSA-N 1 0 392.301 2.730 20 0 GFADRO C[NH+](C)C[C@]1(O)CCN(c2nn3cc(-c4ccc(Cl)cc4)nc3s2)C1 ZINC000895010679 663494910 /nfs/dbraw/zinc/49/49/10/663494910.db2.gz VLPNPILTPAHPNZ-QGZVFWFLSA-N 1 0 377.901 2.614 20 0 GFADRO Cc1[nH+]ccc(NCc2ccc(CN3CCNC3=O)cc2)c1Br ZINC000895021353 663495484 /nfs/dbraw/zinc/49/54/84/663495484.db2.gz MUKUOCGPDRVMDZ-UHFFFAOYSA-N 1 0 375.270 2.712 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCN(C)[C@H](c2ccc(Br)cc2)C1)C1N=NC(=O)N1C ZINC000895171463 663501646 /nfs/dbraw/zinc/50/16/46/663501646.db2.gz OADMMODIWKFGCD-GLQYFDAESA-N 1 0 394.317 2.769 20 0 GFADRO Cn1cc(C[NH2+]C[C@@H]2C[C@H](c3ccccc3)CO2)c(I)n1 ZINC000895271692 663506122 /nfs/dbraw/zinc/50/61/22/663506122.db2.gz QBTILAWTSYYOCK-ZFWWWQNUSA-N 1 0 397.260 2.687 20 0 GFADRO OC1(C[NH2+]Cc2sc(N3CCOCC3)nc2Cl)CCC(F)(F)CC1 ZINC000895336930 663508808 /nfs/dbraw/zinc/50/88/08/663508808.db2.gz YOOYAHFSNJVKMN-UHFFFAOYSA-N 1 0 381.876 2.663 20 0 GFADRO O=C1N(CC[NH2+]Cc2cc(Br)cnc2Cl)C[C@@H]2CCCCN12 ZINC000895341466 663509258 /nfs/dbraw/zinc/50/92/58/663509258.db2.gz BHOUHPKEKQNCQT-ZDUSSCGKSA-N 1 0 387.709 2.877 20 0 GFADRO Cc1[nH]nc(I)c1C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000895692845 663523338 /nfs/dbraw/zinc/52/33/38/663523338.db2.gz XGVFZKDRZBXOBT-UHFFFAOYSA-N 1 0 384.221 2.637 20 0 GFADRO CCO/C=C\[C@@](O)(C[NH2+]C1CCN(CCC(F)(F)F)CC1)C(F)(F)F ZINC000895710854 663524647 /nfs/dbraw/zinc/52/46/47/663524647.db2.gz OBPDLPLHIIXDRZ-AGEOTTOMSA-N 1 0 378.357 2.836 20 0 GFADRO Nc1nc(N2CCC[C@@H]2c2ncc(Br)cn2)c2c([nH+]1)CCCC2 ZINC000895711979 663524731 /nfs/dbraw/zinc/52/47/31/663524731.db2.gz WVQFUMLAFBVVPX-CYBMUJFWSA-N 1 0 375.274 2.832 20 0 GFADRO Cn1cc(C(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)c(Br)n1 ZINC000895786974 663527586 /nfs/dbraw/zinc/52/75/86/663527586.db2.gz HSFCKPBIVKRXFX-UHFFFAOYSA-N 1 0 395.276 2.716 20 0 GFADRO O=C(NC[C@H]1CCN(c2ccc(Br)cc2)C1)[C@@]12CC[N@H+](C1)CCC2 ZINC000895812648 663528651 /nfs/dbraw/zinc/52/86/51/663528651.db2.gz VAQQMSJPMCKHKL-BEFAXECRSA-N 1 0 392.341 2.878 20 0 GFADRO CC[NH+](CC)[C@@H](CNC(=O)c1nn2c(c1Br)CCC2)c1ccco1 ZINC000895935501 663534118 /nfs/dbraw/zinc/53/41/18/663534118.db2.gz HGQPYGWMSUBKQB-ZDUSSCGKSA-N 1 0 395.301 2.998 20 0 GFADRO CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)c1nn2c(c1Br)CCC2 ZINC000896037445 663538368 /nfs/dbraw/zinc/53/83/68/663538368.db2.gz WMRQLZVSTKMEOV-UHFFFAOYSA-N 1 0 391.313 2.926 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)c2cn(C)nc2Br)C1 ZINC000896351436 663552474 /nfs/dbraw/zinc/55/24/74/663552474.db2.gz MLYANFPWCPDXSJ-KGLIPLIRSA-N 1 0 383.334 2.909 20 0 GFADRO Fc1cccc(C[N@@H+]2CC[C@@H](C3OCCO3)C2)c1I ZINC000896379345 663554135 /nfs/dbraw/zinc/55/41/35/663554135.db2.gz XRHNMZWECBARBT-LLVKDONJSA-N 1 0 377.197 2.625 20 0 GFADRO Brc1ccc(-n2cc(C[N@@H+]3CC[C@@H](C4OCCO4)C3)cn2)cc1 ZINC000896383777 663554408 /nfs/dbraw/zinc/55/44/08/663554408.db2.gz DWHSDNRQGHVMNR-CQSZACIVSA-N 1 0 378.270 2.830 20 0 GFADRO CC[C@H](C(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCN1C)c1ccc(Br)cc1 ZINC000896529519 663560943 /nfs/dbraw/zinc/56/09/43/663560943.db2.gz BUOSMLIWMXUTHF-JQFCIGGWSA-N 1 0 382.346 2.693 20 0 GFADRO C[C@@H](NC(=O)C1(Cc2ccccc2Br)CC1)[C@H]1C[N@H+](C)CCN1C ZINC000896539582 663562187 /nfs/dbraw/zinc/56/21/87/663562187.db2.gz RGVQXLDSFJIIME-RHSMWYFYSA-N 1 0 394.357 2.522 20 0 GFADRO C[C@H](NC(=O)c1cc(Cl)cc(Br)c1F)[C@@H]1C[N@H+](C)CCN1C ZINC000896546873 663563143 /nfs/dbraw/zinc/56/31/43/663563143.db2.gz ZJMONRWRZNSGHM-ZANVPECISA-N 1 0 392.700 2.606 20 0 GFADRO C[C@H](Cc1ccccc1Br)NC(=O)C1C[NH+](C2CCOCC2)C1 ZINC000896974521 663583652 /nfs/dbraw/zinc/58/36/52/663583652.db2.gz CMEIDVPGEVDSKU-CYBMUJFWSA-N 1 0 381.314 2.607 20 0 GFADRO COc1cc2nccc(N3CCN(C)CC[N@H+](C)CC3)c2cc1Br ZINC000897093542 663591649 /nfs/dbraw/zinc/59/16/49/663591649.db2.gz HFVPNHSFSDNLKB-UHFFFAOYSA-N 1 0 393.329 2.690 20 0 GFADRO C[N@@H+]1CC[C@@H](NC(=O)c2nn3c(c2Br)CCC3)[C@@H]1c1ccccc1 ZINC000897241412 663596820 /nfs/dbraw/zinc/59/68/20/663596820.db2.gz YZXFLNIAKHXLMG-DYVFJYSZSA-N 1 0 389.297 2.767 20 0 GFADRO O=C(C1C[NH+]([C@H]2CCOC2)C1)N1CCC[C@@H]1c1ccc(Br)s1 ZINC000897373106 663603283 /nfs/dbraw/zinc/60/32/83/663603283.db2.gz KUPCZXMXJQZBIA-QWHCGFSZSA-N 1 0 385.327 2.895 20 0 GFADRO C[C@@]1(Br)C[C@@H]1C[NH+]1CCC(c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000897572153 663611820 /nfs/dbraw/zinc/61/18/20/663611820.db2.gz LUVPFALZQSXDSR-GDBMZVCRSA-N 1 0 387.343 2.687 20 0 GFADRO COc1ccc([C@@H]([NH2+]C(C)C)C(=O)NCc2cnc(Br)cn2)cc1 ZINC000897674524 663615296 /nfs/dbraw/zinc/61/52/96/663615296.db2.gz YQZWNDVBSBHPSQ-MRXNPFEDSA-N 1 0 393.285 2.603 20 0 GFADRO Cn1cc(C(=O)NC[C@H](C[NH+](C)C)c2ccc(Cl)cc2)c(Br)n1 ZINC000897744614 663618220 /nfs/dbraw/zinc/61/82/20/663618220.db2.gz PQYWDQGCGSYHEX-GFCCVEGCSA-N 1 0 399.720 2.911 20 0 GFADRO CCOC(=O)C1([C@@H](C)[NH2+]Cc2cc(O)ccc2Br)CCOCC1 ZINC000897745551 663618237 /nfs/dbraw/zinc/61/82/37/663618237.db2.gz KALORPUWEPIKDJ-GFCCVEGCSA-N 1 0 386.286 2.993 20 0 GFADRO Cc1ccncc1CCC[NH2+][C@H]1Cc2cc(Br)cnc2NC1=O ZINC000897978099 663628253 /nfs/dbraw/zinc/62/82/53/663628253.db2.gz LZVLQCZBTJOAHX-HNNXBMFYSA-N 1 0 375.270 2.633 20 0 GFADRO C[C@H]1CCC[N@@H+]1CCNC(=O)c1cc(Br)cnc1Br ZINC000898037911 663630938 /nfs/dbraw/zinc/63/09/38/663630938.db2.gz YSDFPSNAFFUBOZ-VIFPVBQESA-N 1 0 391.107 2.821 20 0 GFADRO O=C(COc1cc(Cl)cc(Cl)c1)N1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000898117559 663634582 /nfs/dbraw/zinc/63/45/82/663634582.db2.gz GRQWARRUJQIGMQ-UHFFFAOYSA-N 1 0 387.307 2.725 20 0 GFADRO O=c1[nH]ncc(N2CC[C@H]([NH2+]Cc3cnc([C@H]4CCCO4)s3)C2)c1Cl ZINC000898364068 663644579 /nfs/dbraw/zinc/64/45/79/663644579.db2.gz HLIKSFWLBQDJCL-GXFFZTMASA-N 1 0 381.889 2.512 20 0 GFADRO CCCC[N@H+](C)CC1CCN(C(=O)NCc2ncc(Br)cn2)CC1 ZINC000898398472 663648089 /nfs/dbraw/zinc/64/80/89/663648089.db2.gz JGZITGRNGUHGNB-UHFFFAOYSA-N 1 0 398.349 2.893 20 0 GFADRO COC(=O)C1CC2(C1)C[C@@H]([NH2+][C@@H](C)CCCC(F)(F)F)CCS2(=O)=O ZINC000898488442 663652245 /nfs/dbraw/zinc/65/22/45/663652245.db2.gz STTCOALPHQWTMY-SDFYHXNISA-N 1 0 385.448 2.596 20 0 GFADRO C[C@H]([NH2+][C@H](CO)c1ccccc1I)[C@@H]1CCCCO1 ZINC000898511847 663653613 /nfs/dbraw/zinc/65/36/13/663653613.db2.gz GHOOMYAULJGZFK-GLQYFDAESA-N 1 0 375.250 2.872 20 0 GFADRO COc1cc(F)c(C[NH2+][C@H]2CCc3ncc(Br)n3C2)cc1OC ZINC000898721807 663660508 /nfs/dbraw/zinc/66/05/08/663660508.db2.gz VRBJJFWWLAPNIB-NSHDSACASA-N 1 0 384.249 2.907 20 0 GFADRO CC[C@H](C)[NH2+][C@H](CNC(=O)c1cc(=O)n(C)cc1Br)c1ccco1 ZINC000899078706 663674399 /nfs/dbraw/zinc/67/43/99/663674399.db2.gz JNQNHCDHJYQONE-SMDDNHRTSA-N 1 0 396.285 2.600 20 0 GFADRO O=C(NCc1cc2cc(Br)ccc2o1)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000899211022 663679914 /nfs/dbraw/zinc/67/99/14/663679914.db2.gz KZFFSMDMWDCLOB-CQSZACIVSA-N 1 0 379.254 2.532 20 0 GFADRO C[N@H+](Cc1ccccc1)C1(CNC(=S)NCC(F)(F)F)CCOCC1 ZINC000899564848 663693932 /nfs/dbraw/zinc/69/39/32/663693932.db2.gz QPACFPGXVXBXBA-UHFFFAOYSA-N 1 0 375.460 2.694 20 0 GFADRO C[NH2+][C@@H](C)Cc1noc(-c2cc(Br)cnc2Br)n1 ZINC000900008700 663706398 /nfs/dbraw/zinc/70/63/98/663706398.db2.gz PJIWVRLKARRDTJ-LURJTMIESA-N 1 0 376.052 2.807 20 0 GFADRO CN(Cc1cc(Br)ccc1F)C(=O)c1ccnn1CC[NH+](C)C ZINC000900128084 663708806 /nfs/dbraw/zinc/70/88/06/663708806.db2.gz ODRHEHWQZDIGCX-UHFFFAOYSA-N 1 0 383.265 2.619 20 0 GFADRO O=C(Nc1cc(Cl)ccc1N1CCSCC1)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000900466709 663715066 /nfs/dbraw/zinc/71/50/66/663715066.db2.gz IYUFUSGZSSPGHD-OAHLLOKOSA-N 1 0 381.929 2.552 20 0 GFADRO O=C(NCc1cc(Br)ccc1OC(F)F)C12CC[NH+](CC1)C2 ZINC000900475810 663715196 /nfs/dbraw/zinc/71/51/96/663715196.db2.gz JSSIBLRASUHOTE-UHFFFAOYSA-N 1 0 375.213 2.763 20 0 GFADRO O=C(N[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ncc(Br)s1 ZINC000900486297 663715473 /nfs/dbraw/zinc/71/54/73/663715473.db2.gz RKZCHGFGJDRCPR-ZBEGNZNMSA-N 1 0 394.294 2.891 20 0 GFADRO [NH3+][C@H]1CCCN(Cc2cc(C(=O)Nc3ccccc3Br)no2)C1 ZINC000901390688 663735049 /nfs/dbraw/zinc/73/50/49/663735049.db2.gz UBZDKTMINBGYJE-NSHDSACASA-N 1 0 379.258 2.613 20 0 GFADRO NC(=O)[C@@H]([NH2+]C[C@@H]1CCCN1CC(F)(F)F)c1ccc(Br)cc1 ZINC000901573876 663738017 /nfs/dbraw/zinc/73/80/17/663738017.db2.gz UKDSGJSKGGKSHM-STQMWFEESA-N 1 0 394.235 2.592 20 0 GFADRO CCc1noc([C@@H]2CC[C@H]([NH2+][C@H](C(N)=O)c3cccc(Br)c3)C2)n1 ZINC000901618335 663739727 /nfs/dbraw/zinc/73/97/27/663739727.db2.gz GLRCYLUGQMMZFZ-ZLDLUXBVSA-N 1 0 393.285 2.847 20 0 GFADRO CCCn1cc([C@@H](C)[NH2+]CCCNC(=O)c2ccc(Br)cc2)nn1 ZINC000902786320 663767505 /nfs/dbraw/zinc/76/75/05/663767505.db2.gz MDOQWXOPIYVZCS-CYBMUJFWSA-N 1 0 394.317 2.921 20 0 GFADRO Clc1cc(C[NH2+][C@@H]2CCO[C@]23CCOC3)ccc1I ZINC000903167688 663776730 /nfs/dbraw/zinc/77/67/30/663776730.db2.gz OLMRPMRXROMOMD-KGLIPLIRSA-N 1 0 393.652 2.982 20 0 GFADRO C[C@H]([NH2+]C[C@H]1CC[C@@H](C(F)(F)F)O1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000903180991 663777310 /nfs/dbraw/zinc/77/73/10/663777310.db2.gz LQBRDTSKMMIZQW-LNSITVRQSA-N 1 0 380.432 2.697 20 0 GFADRO Clc1ccc(I)c(C[NH2+][C@@H]2CCO[C@@]23CCOC3)c1 ZINC000903198746 663778193 /nfs/dbraw/zinc/77/81/93/663778193.db2.gz FJESYWXUBPVOPT-ZIAGYGMSSA-N 1 0 393.652 2.982 20 0 GFADRO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CC[C@H]1CC(=O)N(C)C1 ZINC000903218225 663778826 /nfs/dbraw/zinc/77/88/26/663778826.db2.gz KDCDYGQNQWBCFM-OLZOCXBDSA-N 1 0 382.302 2.624 20 0 GFADRO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CC[C@@H]1CC(=O)N(C)C1 ZINC000903218223 663778847 /nfs/dbraw/zinc/77/88/47/663778847.db2.gz KDCDYGQNQWBCFM-CHWSQXEVSA-N 1 0 382.302 2.624 20 0 GFADRO CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+][C@H]2CCCN3CCSC[C@@H]23)cc1 ZINC000903271749 663780909 /nfs/dbraw/zinc/78/09/09/663780909.db2.gz NFTPKVKWERWPNL-WBAXXEDZSA-N 1 0 383.583 2.679 20 0 GFADRO OC1(C[NH2+][C@@H]2CCc3cccc(Br)c3C2)CCC2(CC1)OCCO2 ZINC000903371506 663783422 /nfs/dbraw/zinc/78/34/22/663783422.db2.gz CFPYOKDTKGXKQT-OAHLLOKOSA-N 1 0 396.325 2.944 20 0 GFADRO COc1cc([C@H](C)[NH2+][C@H]2COC[C@H]2C2CC2)ccc1S(=O)(=O)C(F)F ZINC000903438906 663784861 /nfs/dbraw/zinc/78/48/61/663784861.db2.gz YTFHFKHDGNFNPX-BPNCWPANSA-N 1 0 375.437 2.767 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCCN(S(=O)(=O)c2c[nH]c3cc(Br)ccc32)C1 ZINC000903487136 663785625 /nfs/dbraw/zinc/78/56/25/663785625.db2.gz QTXBWBCRJTXABY-QWRGUYRKSA-N 1 0 386.315 2.678 20 0 GFADRO O=S(=O)(Cc1cccc(F)c1Br)NCCC[C@@H]1CCC[NH2+]1 ZINC000903522868 663787110 /nfs/dbraw/zinc/78/71/10/663787110.db2.gz WRBKTADQYIYWHN-LBPRGKRZSA-N 1 0 379.295 2.540 20 0 GFADRO [NH3+]CC1([C@H]2CCCCN2S(=O)(=O)c2cncc(Br)c2)CCC1 ZINC000903545727 663788052 /nfs/dbraw/zinc/78/80/52/663788052.db2.gz BRBMSHWGYZWRDW-CQSZACIVSA-N 1 0 388.331 2.516 20 0 GFADRO [NH3+]CC1([C@@H]2CCCCN2S(=O)(=O)c2ccc(Br)cn2)CCC1 ZINC000903546486 663788257 /nfs/dbraw/zinc/78/82/57/663788257.db2.gz KWWCWRICVUVLBY-ZDUSSCGKSA-N 1 0 388.331 2.516 20 0 GFADRO Cc1ccc(S(=O)(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)cc1C(F)(F)F ZINC000903570510 663789076 /nfs/dbraw/zinc/78/90/76/663789076.db2.gz MVLPNHQVPKQGOL-GHMZBOCLSA-N 1 0 376.322 2.524 20 0 GFADRO [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(S(=O)(=O)c1cc(Cl)cc(Br)c1)C2 ZINC000903579616 663790100 /nfs/dbraw/zinc/79/01/00/663790100.db2.gz NWGFLDGUHAAFHU-UWJYBYFXSA-N 1 0 379.707 2.603 20 0 GFADRO [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(S(=O)(=O)c1cc(Cl)c(Br)cc1F)C2 ZINC000903579630 663790132 /nfs/dbraw/zinc/79/01/32/663790132.db2.gz OEQZACSBYQDYRZ-YIZRAAEISA-N 1 0 397.697 2.742 20 0 GFADRO Brc1ccccc1[C@H]1CN(C[C@H]2CC3(CO2)CC[NH2+]CC3)CCO1 ZINC000903726511 663805061 /nfs/dbraw/zinc/80/50/61/663805061.db2.gz MJFNXNQONHOSTJ-CRAIPNDOSA-N 1 0 395.341 2.981 20 0 GFADRO Brc1ccccc1[C@@H]1CN(C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)CCO1 ZINC000903727107 663805081 /nfs/dbraw/zinc/80/50/81/663805081.db2.gz QJIXOFHMVBFGDH-FHLIZLRMSA-N 1 0 381.314 2.591 20 0 GFADRO Brc1cnc([C@H]2CCCN2C[C@H]2CC3(CO2)CC[NH2+]CC3)nc1 ZINC000903786506 663806732 /nfs/dbraw/zinc/80/67/32/663806732.db2.gz KPTZOEHVFCTRQR-HUUCEWRRSA-N 1 0 381.318 2.535 20 0 GFADRO FC1(F)CC[NH2+]C[C@@H]1CNCc1cn(-c2ccc(Cl)c(Cl)c2)nn1 ZINC000903955913 663813707 /nfs/dbraw/zinc/81/37/07/663813707.db2.gz CAIAVSASYPKXNP-SNVBAGLBSA-N 1 0 376.238 2.909 20 0 GFADRO [NH3+][C@H]1CN(Cc2cnc3ccc(Br)cn23)CC[C@@H]1C(F)(F)F ZINC000903983793 663815233 /nfs/dbraw/zinc/81/52/33/663815233.db2.gz LWBHFFNSAHLQDS-RYUDHWBXSA-N 1 0 377.208 2.808 20 0 GFADRO O=S(=O)(Cc1noc([C@H]2[C@@H]3CC[NH2+]C[C@@H]32)n1)c1cc(Cl)ccc1Cl ZINC000904100299 663824019 /nfs/dbraw/zinc/82/40/19/663824019.db2.gz AGOYIKGJFQCIRS-BFVZDQMLSA-N 1 0 388.276 2.673 20 0 GFADRO Cn1cc(NC(=O)N2CCCC[C@@H]2C2(C[NH3+])CCC2)cc(Br)c1=O ZINC000904373866 663831802 /nfs/dbraw/zinc/83/18/02/663831802.db2.gz KZIXYCCDVUJUGR-CQSZACIVSA-N 1 0 397.317 2.663 20 0 GFADRO CSc1nsc(NC(=O)N[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)n1 ZINC000904368133 663831848 /nfs/dbraw/zinc/83/18/48/663831848.db2.gz IIFMTMUEJIFABV-ZBEGNZNMSA-N 1 0 377.495 2.637 20 0 GFADRO COC(=O)c1cc(NC(=O)N2CC[C@H]3CC[C@]32C[NH3+])ccc1Br ZINC000904407348 663833058 /nfs/dbraw/zinc/83/30/58/663833058.db2.gz UIYHICQOCTWREW-HWPZZCPQSA-N 1 0 382.258 2.581 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)c(C)c1CN1CCC[C@]([NH3+])(CO)C1 ZINC000904406324 663833113 /nfs/dbraw/zinc/83/31/13/663833113.db2.gz FYGFXTKZQKSJAA-GOSISDBHSA-N 1 0 393.329 2.537 20 0 GFADRO COCC[C@H]1C[NH2+]CCN1C(=O)Nc1nc(-c2cccc(Cl)c2)ns1 ZINC000904418003 663833264 /nfs/dbraw/zinc/83/32/64/663833264.db2.gz SEFMCYWTFKQNDL-ZDUSSCGKSA-N 1 0 381.889 2.701 20 0 GFADRO COCCOc1ccc(Br)cc1NC(=O)N1CCC[C@]12CC[NH2+]C2 ZINC000904412026 663833412 /nfs/dbraw/zinc/83/34/12/663833412.db2.gz ZTTVISNPNYVEGP-QGZVFWFLSA-N 1 0 398.301 2.834 20 0 GFADRO CN(C(=O)Nc1cc(F)cc(F)c1Br)C1(C[NH3+])CCOCC1 ZINC000904429839 663833830 /nfs/dbraw/zinc/83/38/30/663833830.db2.gz ADSNMAKERNVYEU-UHFFFAOYSA-N 1 0 378.217 2.699 20 0 GFADRO [NH3+]C[C@]12CC[C@H]1CCN2C(=O)Nc1ccc(I)cc1F ZINC000904521279 663836653 /nfs/dbraw/zinc/83/66/53/663836653.db2.gz MMRCAVOQANXHOF-LKFCYVNXSA-N 1 0 389.212 2.775 20 0 GFADRO COCCOc1ccc(NC(=O)N2CC[NH2+]C(C)(C)C2)cc1Br ZINC000904552279 663838132 /nfs/dbraw/zinc/83/81/32/663838132.db2.gz RYZKRRFCQVBHIL-UHFFFAOYSA-N 1 0 386.290 2.690 20 0 GFADRO COCCOc1ccc(NC(=O)N2C[C@@H](C)[NH2+]C[C@H]2C)cc1Br ZINC000904552268 663838225 /nfs/dbraw/zinc/83/82/25/663838225.db2.gz ROMWDGVKQSHQAF-VXGBXAGGSA-N 1 0 386.290 2.688 20 0 GFADRO [NH3+]CCn1cc(Br)cc(-c2nc([C@@H]3CCCCS3)no2)c1=O ZINC000904638476 663839203 /nfs/dbraw/zinc/83/92/03/663839203.db2.gz FQKQPWBRBIVFAG-NSHDSACASA-N 1 0 385.287 2.578 20 0 GFADRO CC(C)C[C@H]([NH3+])Cc1nc(CNC(=O)c2ccc(Br)cc2)no1 ZINC000904714319 663842144 /nfs/dbraw/zinc/84/21/44/663842144.db2.gz VEJKAGREOKEMPQ-ZDUSSCGKSA-N 1 0 381.274 2.678 20 0 GFADRO C[C@H]1CN(C(=O)COC2CC[NH+](C)CC2)c2cc(Br)ccc2O1 ZINC000904909830 663847262 /nfs/dbraw/zinc/84/72/62/663847262.db2.gz VNSFPSJAJAYTJT-LBPRGKRZSA-N 1 0 383.286 2.674 20 0 GFADRO CN(C)C(=O)[C@@H]1CCCN1CCC[NH2+]C[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC000905091023 663852230 /nfs/dbraw/zinc/85/22/30/663852230.db2.gz XDADFGCNXXWGGQ-IRXDYDNUSA-N 1 0 388.339 2.559 20 0 GFADRO CSC[C@H](C)[NH2+]C[C@@H](O)c1ccc2c(c1)CN(C(=O)C(F)(F)F)CC2 ZINC000905128609 663854365 /nfs/dbraw/zinc/85/43/65/663854365.db2.gz SPHYIOPBPRBVNP-XHDPSFHLSA-N 1 0 376.444 2.508 20 0 GFADRO C[C@@H](CCCC(F)(F)F)[NH2+]C[C@H](O)C1(S(=O)(=O)NC(C)(C)C)CCC1 ZINC000905230612 663860745 /nfs/dbraw/zinc/86/07/45/663860745.db2.gz GKKPFPSZIMKLOJ-STQMWFEESA-N 1 0 388.496 2.699 20 0 GFADRO O[C@@H](C[NH2+]CCCn1cc(Br)cn1)COc1ccc2cc[nH]c2c1 ZINC000905263407 663863115 /nfs/dbraw/zinc/86/31/15/663863115.db2.gz VRGUQQIFHYZESL-HNNXBMFYSA-N 1 0 393.285 2.547 20 0 GFADRO CC1CC[NH+](CCCNC(=O)c2cc(Br)cn(C3CC3)c2=O)CC1 ZINC000905343463 663866450 /nfs/dbraw/zinc/86/64/50/663866450.db2.gz ICQFZAUSQZQDJE-UHFFFAOYSA-N 1 0 396.329 2.798 20 0 GFADRO O[C@@H](C[NH2+]C[C@@H](O)CC[C@H](O)c1ccccc1)c1cccc(Br)c1 ZINC000905370491 663867930 /nfs/dbraw/zinc/86/79/30/663867930.db2.gz FAZLGUQWMRDRKX-FHWLQOOXSA-N 1 0 394.309 2.947 20 0 GFADRO O=S(=O)(CC[NH2+]C1CCC2(COC2)CC1)c1cccc(Br)c1 ZINC000905450297 663872049 /nfs/dbraw/zinc/87/20/49/663872049.db2.gz BKJWIWSFCIUPFE-UHFFFAOYSA-N 1 0 388.327 2.772 20 0 GFADRO CC(C)O[C@@]1(C[NH2+]C[C@H](O)COc2c(Cl)cccc2Cl)CCOC1 ZINC000905556904 663878257 /nfs/dbraw/zinc/87/82/57/663878257.db2.gz KPBZOKXWTKKRDJ-SUMWQHHRSA-N 1 0 378.296 2.907 20 0 GFADRO Oc1cncc(C[NH2+]C[C@@H](O)COc2ccc(Cl)cc2Br)c1 ZINC000905631677 663882679 /nfs/dbraw/zinc/88/26/79/663882679.db2.gz PEWKFBXJWITZIL-CYBMUJFWSA-N 1 0 387.661 2.733 20 0 GFADRO S=C(Nc1ccc2c(c1)OCCCO2)N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000905633035 663882951 /nfs/dbraw/zinc/88/29/51/663882951.db2.gz JEIDRNXUFZDZFX-LSDHHAIUSA-N 1 0 379.551 2.714 20 0 GFADRO Cn1cc([C@]2(C[NH2+]C[C@@H](O)c3cccc(Br)c3)CCCO2)cn1 ZINC000905688041 663886350 /nfs/dbraw/zinc/88/63/50/663886350.db2.gz SKWFJCRGXPWQHP-IAGOWNOFSA-N 1 0 380.286 2.512 20 0 GFADRO OCCc1ccc(C[NH2+]C[C@@H](O)COc2cccc(Br)c2)cc1 ZINC000905692607 663886589 /nfs/dbraw/zinc/88/65/89/663886589.db2.gz WLZIUTSXRUZCSV-QGZVFWFLSA-N 1 0 380.282 2.513 20 0 GFADRO OCCc1ccc(C[NH2+]C[C@@H](O)COc2ccc(Br)cc2)cc1 ZINC000905692126 663886639 /nfs/dbraw/zinc/88/66/39/663886639.db2.gz QWOWEHNDUGNFPD-QGZVFWFLSA-N 1 0 380.282 2.513 20 0 GFADRO COC(=O)C[C@@H]1C[N@H+](Cn2ccc(=O)c3cccc(Br)c32)C[C@H]1C ZINC000905712560 663888117 /nfs/dbraw/zinc/88/81/17/663888117.db2.gz VLRSBSDJKLEAFM-CHWSQXEVSA-N 1 0 393.281 2.853 20 0 GFADRO [NH3+]C1CCN(Cc2cn(Cc3ccc(Br)cc3Cl)nn2)CC1 ZINC000905800342 663892903 /nfs/dbraw/zinc/89/29/03/663892903.db2.gz VYFHQJNLWVHNJR-UHFFFAOYSA-N 1 0 384.709 2.665 20 0 GFADRO C[N@H+](Cc1cn(C[C@@H](O)COc2ccc(Br)cc2)nn1)C(C)(C)C ZINC000905812353 663893254 /nfs/dbraw/zinc/89/32/54/663893254.db2.gz GCQOZGUJAXQJDZ-OAHLLOKOSA-N 1 0 397.317 2.711 20 0 GFADRO C[N@H+](Cc1cn(C[C@H](O)COc2ccc(Br)cc2)nn1)C(C)(C)C ZINC000905812352 663893386 /nfs/dbraw/zinc/89/33/86/663893386.db2.gz GCQOZGUJAXQJDZ-HNNXBMFYSA-N 1 0 397.317 2.711 20 0 GFADRO [NH3+]C1CCN(CCc2cn(Cc3cccc(Cl)c3Br)nn2)CC1 ZINC000905834949 663895177 /nfs/dbraw/zinc/89/51/77/663895177.db2.gz XVGJNQPZJXLLKJ-UHFFFAOYSA-N 1 0 398.736 2.708 20 0 GFADRO NC(=O)[C@H]([NH2+]C[C@H]1CC[C@H](C(F)(F)F)O1)c1ccc(Br)cc1 ZINC000905850507 663896577 /nfs/dbraw/zinc/89/65/77/663896577.db2.gz IRNMGLZNGYIVCA-IJLUTSLNSA-N 1 0 381.192 2.675 20 0 GFADRO C[C@H]([NH2+][C@H]1CCCN2CCSC[C@H]12)C(=O)Nc1ccccc1Br ZINC000905851970 663896796 /nfs/dbraw/zinc/89/67/96/663896796.db2.gz AYQUYDHIUBNWTQ-VBNZEHGJSA-N 1 0 398.370 2.946 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCCN2CCSC[C@H]12)C(=O)Nc1ccccc1Br ZINC000905851962 663896847 /nfs/dbraw/zinc/89/68/47/663896847.db2.gz AYQUYDHIUBNWTQ-APHBMKBZSA-N 1 0 398.370 2.946 20 0 GFADRO C[C@@H]1CCC[N@H+](Cc2ccc(NS(=O)(=O)N=S3(=O)CCCC3)cc2)C1 ZINC000906061768 663917432 /nfs/dbraw/zinc/91/74/32/663917432.db2.gz LKXYMWUSNTVESG-OAHLLOKOSA-N 1 0 385.555 2.837 20 0 GFADRO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1nscc1I ZINC000906357964 663941445 /nfs/dbraw/zinc/94/14/45/663941445.db2.gz FBCVMCLIUQCFIR-SNVBAGLBSA-N 1 0 395.310 2.988 20 0 GFADRO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)c1cnnn1-c1cc(Cl)ccc1Cl ZINC000906360930 663941680 /nfs/dbraw/zinc/94/16/80/663941680.db2.gz AHYAUXVYOUUSND-LLVKDONJSA-N 1 0 380.279 2.788 20 0 GFADRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)C(F)(F)c2ncccc2Br)C1 ZINC000906433764 663947587 /nfs/dbraw/zinc/94/75/87/663947587.db2.gz JREVWCYMVSKJEK-NSHDSACASA-N 1 0 376.245 2.782 20 0 GFADRO CC[NH+]1CCC(N(C)C(=O)C(F)(F)c2ncccc2Br)CC1 ZINC000906521099 663955339 /nfs/dbraw/zinc/95/53/39/663955339.db2.gz OCSYAKGHHXDYSE-UHFFFAOYSA-N 1 0 376.245 2.879 20 0 GFADRO O=C(C[C@@H](O)C(Cl)(Cl)Cl)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000906566682 663958733 /nfs/dbraw/zinc/95/87/33/663958733.db2.gz MQGSALRJLCTXOP-HUUCEWRRSA-N 1 0 393.742 2.788 20 0 GFADRO C[N@@H+]1CCC[C@H](NC(=O)c2c(Cl)ccc(I)c2F)C1 ZINC000906584475 663959978 /nfs/dbraw/zinc/95/99/78/663959978.db2.gz JSTMOJOVYWKTBO-QMMMGPOBSA-N 1 0 396.631 2.908 20 0 GFADRO Cc1cc(C(=O)N2CCC[C@@H]([NH3+])[C@H]2C)nn1-c1ccccc1Br ZINC000906633892 663961720 /nfs/dbraw/zinc/96/17/20/663961720.db2.gz LGXVUXLZGPRBRN-TZMCWYRMSA-N 1 0 377.286 2.895 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(Br)cn(C3CC3)c2=O)C[C@H]1C ZINC000906783262 663970547 /nfs/dbraw/zinc/97/05/47/663970547.db2.gz YHYWZFVYDGUVLO-IUODEOHRSA-N 1 0 396.329 2.891 20 0 GFADRO CN(C(=O)c1ccc(Cn2cc(Br)cn2)s1)[C@@H]1CCC[N@H+](C)C1 ZINC000906800016 663972131 /nfs/dbraw/zinc/97/21/31/663972131.db2.gz YNCZSYDGYFVUQW-CYBMUJFWSA-N 1 0 397.342 2.922 20 0 GFADRO O=C(C[C@@H](O)C(Cl)(Cl)Cl)Nc1cccc(C[NH+]2CCC(O)CC2)c1 ZINC000906915945 663981744 /nfs/dbraw/zinc/98/17/44/663981744.db2.gz UNZNFRLSARDXHE-CQSZACIVSA-N 1 0 395.714 2.703 20 0 GFADRO CC[NH+](CC)CC1CCN(S(=O)(=O)c2c[nH]c3ncc(Cl)cc23)CC1 ZINC000906981017 663988314 /nfs/dbraw/zinc/98/83/14/663988314.db2.gz KRZIHQQXLLSNNX-UHFFFAOYSA-N 1 0 384.933 2.959 20 0 GFADRO Cc1cc(Br)c(CC(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)s1 ZINC000906997360 663990599 /nfs/dbraw/zinc/99/05/99/663990599.db2.gz JOPGCHZCAIREDG-CYBMUJFWSA-N 1 0 387.343 2.731 20 0 GFADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3cccn4ncc(Br)c34)CC[C@H]21 ZINC000907038090 663995232 /nfs/dbraw/zinc/99/52/32/663995232.db2.gz QQVJDNKUNKSMPF-IUODEOHRSA-N 1 0 377.286 2.653 20 0 GFADRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2cc(Br)cn(C3CC3)c2=O)C1 ZINC000907066073 663998847 /nfs/dbraw/zinc/99/88/47/663998847.db2.gz TWUGKKYPZGQQIN-BLLLJJGKSA-N 1 0 394.313 2.502 20 0 GFADRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2cc(Br)cn(C3CC3)c2=O)C1 ZINC000907066245 663999261 /nfs/dbraw/zinc/99/92/61/663999261.db2.gz TWUGKKYPZGQQIN-LRDDRELGSA-N 1 0 394.313 2.502 20 0 GFADRO C[NH+](C)CC1CCC(NC(=O)c2cc(Br)cn(C3CC3)c2=O)CC1 ZINC000907099720 664001768 /nfs/dbraw/zinc/00/17/68/664001768.db2.gz GFCQJBQHDXWLJP-UHFFFAOYSA-N 1 0 396.329 2.796 20 0 GFADRO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)S(=O)(=O)c3cnccc3C)C2)s1 ZINC000907346885 664026446 /nfs/dbraw/zinc/02/64/46/664026446.db2.gz PDCRBVYMMVGURR-INIZCTEOSA-N 1 0 379.551 2.903 20 0 GFADRO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)S(=O)(=O)c3cncc(F)c3)C2)s1 ZINC000907347595 664026892 /nfs/dbraw/zinc/02/68/92/664026892.db2.gz TWNDANGTIXUMTR-AWEZNQCLSA-N 1 0 383.514 2.733 20 0 GFADRO CC(C)n1cc(Br)c(C(=O)N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)n1 ZINC000907804928 664063330 /nfs/dbraw/zinc/06/33/30/664063330.db2.gz FKXNRMANYQYXJX-ZDUSSCGKSA-N 1 0 399.333 2.552 20 0 GFADRO O=C(Nc1cccc(O)c1Br)c1cccn1CCN1CCOCC1 ZINC000908707091 664122337 /nfs/dbraw/zinc/12/23/37/664122337.db2.gz HGNKHCPNXLKRJB-UHFFFAOYSA-N 1 0 394.269 2.541 20 0 GFADRO O=C(NC1CC[NH+](C2CCC2)CC1)c1cc(Br)cn(C2CC2)c1=O ZINC000909284640 664151053 /nfs/dbraw/zinc/15/10/53/664151053.db2.gz GCSSPITYHBUNCX-UHFFFAOYSA-N 1 0 394.313 2.692 20 0 GFADRO CC1(C)CCC[N@@H+]1CCNC(=O)c1cc(Br)cn(C2CC2)c1=O ZINC000909428821 664158068 /nfs/dbraw/zinc/15/80/68/664158068.db2.gz FJDZLKRYUFCHPE-UHFFFAOYSA-N 1 0 382.302 2.550 20 0 GFADRO C[N@@H+]1CCC[C@H](CCNC(=O)C(F)(F)c2ncccc2Br)C1 ZINC000909913386 664183290 /nfs/dbraw/zinc/18/32/90/664183290.db2.gz DELBCCXHALJLIB-LLVKDONJSA-N 1 0 376.245 2.784 20 0 GFADRO CCn1c(Br)ncc1C(=O)N(CC[NH+](C)C)Cc1ccsc1 ZINC000909917569 664183925 /nfs/dbraw/zinc/18/39/25/664183925.db2.gz KAOHHMZAKINZEQ-UHFFFAOYSA-N 1 0 385.331 2.931 20 0 GFADRO CC[N@@H+]1CCCN(C(=O)c2cc(Br)cn(C3CC3)c2=O)[C@H](C)C1 ZINC000910270722 664204010 /nfs/dbraw/zinc/20/40/10/664204010.db2.gz QUSSSCNYSYRCSX-GFCCVEGCSA-N 1 0 382.302 2.502 20 0 GFADRO CC(C)[N@H+](CCO)CC1CCN(C(=O)c2cc(Br)ccc2O)CC1 ZINC000910857084 664230230 /nfs/dbraw/zinc/23/02/30/664230230.db2.gz KMQJIHPLXMNXNM-UHFFFAOYSA-N 1 0 399.329 2.710 20 0 GFADRO C[C@@H](CNC(=O)C(=O)N1C[C@@H](C)[C@H](CC[NH3+])C1)c1c(Cl)cccc1Cl ZINC000911187173 664238070 /nfs/dbraw/zinc/23/80/70/664238070.db2.gz NCLIDIQMKWAFHQ-YNEHKIRRSA-N 1 0 386.323 2.656 20 0 GFADRO C[N@@H+]1CC[C@H](C(=O)N2CCc3[nH]cnc3[C@@H]2c2ccc(Br)cc2)C1 ZINC000911253687 664240962 /nfs/dbraw/zinc/24/09/62/664240962.db2.gz HVZMIPMTDPNSIB-GUYCJALGSA-N 1 0 389.297 2.598 20 0 GFADRO COc1ccc(Br)cc1-c1nc(C(=O)N2CC[C@@H]([NH3+])C2)cs1 ZINC000911652554 664251524 /nfs/dbraw/zinc/25/15/24/664251524.db2.gz VVKITJSJWDJPQC-SNVBAGLBSA-N 1 0 382.283 2.754 20 0 GFADRO [NH3+]CC1CCN(C(=O)c2cnn(Cc3ccccc3)c2Br)CC1 ZINC000911673603 664252492 /nfs/dbraw/zinc/25/24/92/664252492.db2.gz MUMPDVYRQKMDQG-UHFFFAOYSA-N 1 0 377.286 2.505 20 0 GFADRO CC[NH2+]Cc1cccc(NC(=O)c2cc(Br)c(C)n(C)c2=O)c1 ZINC000911683490 664252778 /nfs/dbraw/zinc/25/27/78/664252778.db2.gz XSGBOYQHNPQFBQ-UHFFFAOYSA-N 1 0 378.270 2.818 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C[C@@H]1c2cc(Br)ccc2NC1=O ZINC000911682715 664252824 /nfs/dbraw/zinc/25/28/24/664252824.db2.gz CJSKTQQYRFZEHL-ZBINZKHDSA-N 1 0 380.286 2.603 20 0 GFADRO COc1ccc(Br)cc1-c1ncc(C(=O)N[C@@H]2CC[NH2+]C2)s1 ZINC000911697812 664253685 /nfs/dbraw/zinc/25/36/85/664253685.db2.gz DUTSKVFRDHWCTF-SNVBAGLBSA-N 1 0 382.283 2.673 20 0 GFADRO [NH3+]C[C@@H]1CCCN(C(=O)c2cnn(Cc3ccccc3)c2Br)C1 ZINC000911714001 664253951 /nfs/dbraw/zinc/25/39/51/664253951.db2.gz NGEQYCNJDBHROJ-AWEZNQCLSA-N 1 0 377.286 2.505 20 0 GFADRO C[NH2+]CC1CCN(C(=O)c2cnn(Cc3ccccc3)c2Br)CC1 ZINC000911778122 664256416 /nfs/dbraw/zinc/25/64/16/664256416.db2.gz HHBUTABESIGCOR-UHFFFAOYSA-N 1 0 391.313 2.766 20 0 GFADRO O=C(c1cc(Br)cn(C2CC2)c1=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000911840253 664258322 /nfs/dbraw/zinc/25/83/22/664258322.db2.gz IQFPWOXXBWLYJV-UHFFFAOYSA-N 1 0 394.313 2.550 20 0 GFADRO C[NH+]1CCC(N(CCO)C(=O)c2csc(-c3ccc(Cl)cc3)n2)CC1 ZINC000911936117 664262551 /nfs/dbraw/zinc/26/25/51/664262551.db2.gz WNXOAIOLVKCYBT-UHFFFAOYSA-N 1 0 379.913 2.992 20 0 GFADRO C[NH+]1CCC(N(CCO)C(=O)c2cc(Br)cc3cccnc32)CC1 ZINC000911940751 664262883 /nfs/dbraw/zinc/26/28/83/664262883.db2.gz VETSJIOSTWKVFS-UHFFFAOYSA-N 1 0 392.297 2.526 20 0 GFADRO C[C@H](NC(=O)[C@@H]1CCCN(CC[NH3+])C1=O)c1cc(F)c(Cl)cc1Cl ZINC000912055698 664268617 /nfs/dbraw/zinc/26/86/17/664268617.db2.gz DXIXRGRMFZXBQZ-UWVGGRQHSA-N 1 0 376.259 2.507 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)C(F)(F)c1ncccc1Br ZINC000912283649 664279402 /nfs/dbraw/zinc/27/94/02/664279402.db2.gz KEHNKOQEFCOZNH-SNVBAGLBSA-N 1 0 376.245 2.925 20 0 GFADRO Cc1ccc(F)c(Br)c1C(=O)N[C@@H](C)CN(C)CCC[NH+](C)C ZINC000912303148 664281442 /nfs/dbraw/zinc/28/14/42/664281442.db2.gz ILYSAVMCNPBVMF-ZDUSSCGKSA-N 1 0 388.325 2.898 20 0 GFADRO [NH3+][C@H](CC(=O)NC[C@@H](O)c1ccccc1F)Cc1ccc(Br)cc1 ZINC000912367775 664283788 /nfs/dbraw/zinc/28/37/88/664283788.db2.gz GFYUOTFYRIADLN-WMLDXEAASA-N 1 0 395.272 2.698 20 0 GFADRO O=C(COC(=O)CSc1ccccc1Cl)NC1CC[NH+](C2CC2)CC1 ZINC000912776268 664301131 /nfs/dbraw/zinc/30/11/31/664301131.db2.gz YDVLZJMWCYBOKC-UHFFFAOYSA-N 1 0 382.913 2.718 20 0 GFADRO C[C@H](C[NH+](C)C)[C@@H]1CCCCN1C(=O)c1cc2ncc(Br)cn2n1 ZINC000912801251 664303107 /nfs/dbraw/zinc/30/31/07/664303107.db2.gz JIPOTRNFRNWLEN-DOMZBBRYSA-N 1 0 394.317 2.684 20 0 GFADRO O=C(c1cc(Br)cnc1OCC1CC1)N1CC[C@H]([NH+]2CCC2)C1 ZINC000912906236 664309397 /nfs/dbraw/zinc/30/93/97/664309397.db2.gz BPPLOILXIQMNQM-AWEZNQCLSA-N 1 0 380.286 2.553 20 0 GFADRO O=C(c1ccn(-c2ccc(Br)cc2)n1)N1CC[C@H]([NH+]2CCC2)C1 ZINC000912908080 664309511 /nfs/dbraw/zinc/30/95/11/664309511.db2.gz RIEJDCGYNAVHTH-HNNXBMFYSA-N 1 0 375.270 2.555 20 0 GFADRO C[NH+](C)C1(C)CCN(C(=O)Cc2ccccc2I)CC1 ZINC000913394639 664334991 /nfs/dbraw/zinc/33/49/91/664334991.db2.gz KOFVJVSQVUFMOF-UHFFFAOYSA-N 1 0 386.277 2.776 20 0 GFADRO CCC[NH+]1CCC(NS(=O)(=O)Cc2cccc(F)c2Br)CC1 ZINC000913862982 664362130 /nfs/dbraw/zinc/36/21/30/664362130.db2.gz JYTBLUPSLKFUAS-UHFFFAOYSA-N 1 0 393.322 2.882 20 0 GFADRO O=S(=O)(Cc1cccc(F)c1Br)NC1CC[NH+](C2CC2)CC1 ZINC000913879704 664363102 /nfs/dbraw/zinc/36/31/02/664363102.db2.gz CRXIEHCPALIEMI-UHFFFAOYSA-N 1 0 391.306 2.634 20 0 GFADRO CN(Cc1ncc(Br)cn1)C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000914141319 664379394 /nfs/dbraw/zinc/37/93/94/664379394.db2.gz FBYVEOUHGKXGPO-UHFFFAOYSA-N 1 0 392.301 2.642 20 0 GFADRO COCC[N@H+](C)CCCNC(=O)N1CCC[C@H]1c1cncc(Br)c1 ZINC000914176435 664382882 /nfs/dbraw/zinc/38/28/82/664382882.db2.gz HQCMHABJPVBJIN-INIZCTEOSA-N 1 0 399.333 2.659 20 0 GFADRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)S(=O)(=O)Cc1ccc(F)cc1Br ZINC000914178299 664383368 /nfs/dbraw/zinc/38/33/68/664383368.db2.gz IIFMHRLKQHHLFH-ABAIWWIYSA-N 1 0 393.322 2.690 20 0 GFADRO CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NC(=O)NCCc1ccc(Cl)s1)C2 ZINC000914231328 664388537 /nfs/dbraw/zinc/38/85/37/664388537.db2.gz GYRPFSQKJIUWOY-AHEZYBDSSA-N 1 0 385.961 2.723 20 0 GFADRO C[C@H]1C[C@@H](NS(=O)(=O)Cc2ccsc2Br)C[N@@H+]1C1CC1 ZINC000914237311 664388999 /nfs/dbraw/zinc/38/89/99/664388999.db2.gz SMMJEQMPLAIIFY-GXSJLCMTSA-N 1 0 379.345 2.555 20 0 GFADRO C[N@@H+]1CCC[C@H]2CN(S(=O)(=O)c3cnc(-c4ccccc4)s3)CC[C@H]21 ZINC000914259396 664391680 /nfs/dbraw/zinc/39/16/80/664391680.db2.gz RKGLFCMYQVGWTR-JKSUJKDBSA-N 1 0 377.535 2.915 20 0 GFADRO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)NCc2cnc(Br)cn2)C1 ZINC000914330959 664400239 /nfs/dbraw/zinc/40/02/39/664400239.db2.gz GWAUZCBKDGLKSA-STQMWFEESA-N 1 0 398.349 2.795 20 0 GFADRO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N(C)Cc2ncc(Br)cn2)C1 ZINC000914335002 664400472 /nfs/dbraw/zinc/40/04/72/664400472.db2.gz ILBMNQQTLOAIRX-ZDUSSCGKSA-N 1 0 398.349 2.891 20 0 GFADRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N(C)Cc1ncc(Br)cn1 ZINC000914356620 664402755 /nfs/dbraw/zinc/40/27/55/664402755.db2.gz LQJKZNOYXPCKQS-HZSPNIEDSA-N 1 0 398.349 2.747 20 0 GFADRO O=S(=O)(C[C@@]12CC[N@H+](C1)CCC2)NC[C@H](c1ccccc1)C(F)(F)F ZINC000914396577 664406799 /nfs/dbraw/zinc/40/67/99/664406799.db2.gz UMOWIZUZPVMPDM-CVEARBPZSA-N 1 0 376.444 2.738 20 0 GFADRO COc1ccccc1[C@@H](O)C[NH2+]C[C@H](O)COc1ccc(Br)cc1 ZINC000915226654 664424514 /nfs/dbraw/zinc/42/45/14/664424514.db2.gz OJTKYMHMVIHEIP-YOEHRIQHSA-N 1 0 396.281 2.521 20 0 GFADRO COc1ccc([C@H](O)C[NH2+]C[C@@H](O)COc2ccc(Br)cc2)cc1 ZINC000915226351 664424523 /nfs/dbraw/zinc/42/45/23/664424523.db2.gz KIMALPFUSWNNON-CRAIPNDOSA-N 1 0 396.281 2.521 20 0 GFADRO CO[C@]1(CNC(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)CCSC1 ZINC000915458859 664431471 /nfs/dbraw/zinc/43/14/71/664431471.db2.gz OJEKQKHKNYLPRE-YJBOKZPZSA-N 1 0 383.583 2.781 20 0 GFADRO CC[NH+]1CCN([C@@H](C)CNC(=O)/C=C/c2ccc(C)cc2Br)CC1 ZINC000915630472 664436340 /nfs/dbraw/zinc/43/63/40/664436340.db2.gz PSABLGXAWIBIJN-WAVCKPEOSA-N 1 0 394.357 2.913 20 0 GFADRO O=C(NC[C@@H]1CC1(Cl)Cl)C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000915728746 664439120 /nfs/dbraw/zinc/43/91/20/664439120.db2.gz ZRWYHBGMRDMNGF-AWEZNQCLSA-N 1 0 384.307 2.921 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(S(=O)(=O)c3c(Cl)cccc3C(F)(F)F)C[C@@H]2C1 ZINC000916663448 664468685 /nfs/dbraw/zinc/46/86/85/664468685.db2.gz GRJLFPRRFLOEAC-MNOVXSKESA-N 1 0 382.835 2.931 20 0 GFADRO O[C@@H](CN1CCC[N@H+](C[C@H]2CCCO2)CC1)c1cccc(Br)c1 ZINC000917052707 664475503 /nfs/dbraw/zinc/47/55/03/664475503.db2.gz LEBFCXCGCAYNRV-MSOLQXFVSA-N 1 0 383.330 2.669 20 0 GFADRO Cc1cc(Br)c(CNS(=O)(=O)C[C@@]23CC[N@H+](C2)CCC3)s1 ZINC000917394762 664482266 /nfs/dbraw/zinc/48/22/66/664482266.db2.gz BIFDYNZLZHEPLS-AWEZNQCLSA-N 1 0 393.372 2.724 20 0 GFADRO C[N@@H+]1CCCC[C@H](CNS(=O)(=O)Cc2ccsc2Br)C1 ZINC000918009480 664494162 /nfs/dbraw/zinc/49/41/62/664494162.db2.gz FRUSFJRJEZUCBH-LLVKDONJSA-N 1 0 381.361 2.662 20 0 GFADRO CC[NH+]1CCC(N(C)C(=O)/C=C/c2ccc(I)o2)CC1 ZINC000918691424 664502699 /nfs/dbraw/zinc/50/26/99/664502699.db2.gz VKSFBDFNUUOFCB-FNORWQNLSA-N 1 0 388.249 2.840 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)N1CCCC[C@@H]1c1ncc(Br)cn1 ZINC000918893009 664506072 /nfs/dbraw/zinc/50/60/72/664506072.db2.gz NQJOCCQRBOBJQA-UKRRQHHQSA-N 1 0 394.317 2.712 20 0 GFADRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N(C)Cc1ncc(Br)cn1 ZINC000919528835 664513990 /nfs/dbraw/zinc/51/39/90/664513990.db2.gz QBHFDLWTZFZZOI-CQSZACIVSA-N 1 0 384.322 2.645 20 0 GFADRO O=C(Nc1ccc(Br)cn1)[C@@H]1CCCN(CC[NH+]2CCCC2)C1 ZINC000919880338 664519006 /nfs/dbraw/zinc/51/90/06/664519006.db2.gz DOQVVMXUJITISC-CQSZACIVSA-N 1 0 381.318 2.590 20 0 GFADRO O=C(NCc1nc(C(F)(F)F)cs1)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000919896348 664519360 /nfs/dbraw/zinc/51/93/60/664519360.db2.gz QJQGAFOQAXESNN-NXEZZACHSA-N 1 0 380.461 2.541 20 0 GFADRO O=C(NCc1nc(C(F)(F)F)cs1)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000919896351 664519375 /nfs/dbraw/zinc/51/93/75/664519375.db2.gz QJQGAFOQAXESNN-ZJUUUORDSA-N 1 0 380.461 2.541 20 0 GFADRO CC[NH+]1CCC(CNC(=O)/C=C\c2ccc(I)o2)CC1 ZINC000919927267 664519646 /nfs/dbraw/zinc/51/96/46/664519646.db2.gz YRJPLUFIOQNKGH-XQRVVYSFSA-N 1 0 388.249 2.746 20 0 GFADRO O=C(NC[C@@H]1CC1(Cl)Cl)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000920185098 664523242 /nfs/dbraw/zinc/52/32/42/664523242.db2.gz LJWQPFIUPVTRFO-AWEZNQCLSA-N 1 0 384.307 2.573 20 0 GFADRO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NS(=O)(=O)c3ccc(Cl)s3)C2)[C@@H]1C(C)C ZINC000920296691 664524603 /nfs/dbraw/zinc/52/46/03/664524603.db2.gz VTLCAQXKTGOZGF-MPTQWLOMSA-N 1 0 392.974 2.550 20 0 GFADRO O=C(CN1CCC[C@H]1Cc1ccc(Br)cc1)Nc1nncs1 ZINC000920761870 664530641 /nfs/dbraw/zinc/53/06/41/664530641.db2.gz REOBXWCENQECAJ-ZDUSSCGKSA-N 1 0 381.299 2.946 20 0 GFADRO CC[C@H](C[NH+]1CCCC1)NC(=O)NC1(c2ncc(Br)cn2)CCC1 ZINC000921439369 664548609 /nfs/dbraw/zinc/54/86/09/664548609.db2.gz ZBAUKSYOEIPSDM-CQSZACIVSA-N 1 0 396.333 2.792 20 0 GFADRO C[NH+](C)Cc1ccc(S(=O)(=O)NC[C@H]2CCC[C@H](C(F)(F)F)O2)cc1 ZINC000921586446 664555967 /nfs/dbraw/zinc/55/59/67/664555967.db2.gz LVJQPJOETBKTAP-UKRRQHHQSA-N 1 0 380.432 2.527 20 0 GFADRO O=C(NCCC[NH2+]Cc1cnn(CCF)c1)c1ccc(Br)cc1 ZINC000921656795 664559570 /nfs/dbraw/zinc/55/95/70/664559570.db2.gz XRRYIKQGBGZWLX-UHFFFAOYSA-N 1 0 383.265 2.525 20 0 GFADRO CC1([NH+]2CCC2)CCC(NS(=O)(=O)c2ncccc2Br)CC1 ZINC000921716675 664563742 /nfs/dbraw/zinc/56/37/42/664563742.db2.gz OFOYNTAOQWNDNE-UHFFFAOYSA-N 1 0 388.331 2.529 20 0 GFADRO CC1([NH+]2CCC2)CCC(NS(=O)(=O)N=[S@@](C)(=O)C2CCCCC2)CC1 ZINC000921718102 664563843 /nfs/dbraw/zinc/56/38/43/664563843.db2.gz VUXUNOQWMFQNPU-NZPMRTKLSA-N 1 0 391.603 2.658 20 0 GFADRO CCn1c(C[NH2+]C2(CO)CCCC2)nc(Br)c1Br ZINC000921820401 664570760 /nfs/dbraw/zinc/57/07/60/664570760.db2.gz HSGNXAVZNVMRSG-UHFFFAOYSA-N 1 0 381.112 2.823 20 0 GFADRO COC(=O)CS(=O)(=O)Cc1ccc(C[NH2+][C@H]2CCC[C@@H](SC)C2)cc1 ZINC000921839570 664571577 /nfs/dbraw/zinc/57/15/77/664571577.db2.gz LLCDVUHGJLXDHH-DLBZAZTESA-N 1 0 385.551 2.538 20 0 GFADRO O=S(=O)(Cc1c(Cl)cccc1Cl)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000921912483 664575956 /nfs/dbraw/zinc/57/59/56/664575956.db2.gz OQBCBCVLPVYAGG-CYBMUJFWSA-N 1 0 393.336 2.666 20 0 GFADRO CCn1c(C[NH2+][C@@H](CO)CC2CC2)nc(Br)c1Br ZINC000921932835 664577166 /nfs/dbraw/zinc/57/71/66/664577166.db2.gz IYHAJYKJXQXPFA-SECBINFHSA-N 1 0 381.112 2.679 20 0 GFADRO OC[C@@H](C[NH2+]Cc1cnn(CCF)c1)Cc1ccc(F)c(Br)c1 ZINC000922167999 664588640 /nfs/dbraw/zinc/58/86/40/664588640.db2.gz GIRGQINKEMRIRT-CYBMUJFWSA-N 1 0 388.256 2.695 20 0 GFADRO Cc1cccc(C[NH2+]C[C@@H]2OCCN(C)[C@H]2c2cnn(C)c2)c1Br ZINC000922249302 664591806 /nfs/dbraw/zinc/59/18/06/664591806.db2.gz ITDMUJUFSWKUDE-WMZOPIPTSA-N 1 0 393.329 2.653 20 0 GFADRO Cc1cc(C[NH2+][C@@H]2CC[C@@H](O)[C@@H](O)CC2)c(C)cc1I ZINC000922340129 664595269 /nfs/dbraw/zinc/59/52/69/664595269.db2.gz CNVCYYOVZDMMOU-MKZZRHPPSA-N 1 0 389.277 2.662 20 0 GFADRO Cn1nccc1[C@@H]1[C@@H]([NH2+]Cc2ccsc2Br)CCC(=O)N1C ZINC000922405221 664599824 /nfs/dbraw/zinc/59/98/24/664599824.db2.gz HBUVDMFTCHRRCT-FZMZJTMJSA-N 1 0 383.315 2.696 20 0 GFADRO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C[NH2+]Cc1ccc(S(C)(=O)=O)s1 ZINC000922413481 664600562 /nfs/dbraw/zinc/60/05/62/664600562.db2.gz LDRQGXQXXBTTEU-CHWSQXEVSA-N 1 0 388.555 2.744 20 0 GFADRO Brc1ccc(-n2cc(C[NH2+]C[C@H]3C[C@@H]4COC[C@@H]4O3)cn2)cc1 ZINC000922730762 664612446 /nfs/dbraw/zinc/61/24/46/664612446.db2.gz VNDXFNWQWIOLIE-XYPHTWIQSA-N 1 0 378.270 2.528 20 0 GFADRO Cn1ccc(-c2nc(C[NH2+]CC3(n4cc(Br)cn4)CC3)cs2)n1 ZINC000922812220 664615332 /nfs/dbraw/zinc/61/53/32/664615332.db2.gz NPYXDJOHJAUDNV-UHFFFAOYSA-N 1 0 393.314 2.782 20 0 GFADRO CC(C)n1ncc2cc(C[NH2+]C3C[C@H]4CC[C@@H](C3)S4(=O)=O)c(Cl)nc21 ZINC000922851682 664616462 /nfs/dbraw/zinc/61/64/62/664616462.db2.gz IQYMJIXXKLZZIZ-GOOCMWNKSA-N 1 0 382.917 2.863 20 0 GFADRO COc1cc(C[NH2+]CCO[C@H]2CCOC2)cc(Br)c1OC(F)F ZINC000922938409 664619348 /nfs/dbraw/zinc/61/93/48/664619348.db2.gz CXBLSRPXBYSBQL-NSHDSACASA-N 1 0 396.228 2.954 20 0 GFADRO COc1cc(Br)c(CNC[C@H]2CC[N@@H+]2C2CCOCC2)cc1OC ZINC000922951696 664619814 /nfs/dbraw/zinc/61/98/14/664619814.db2.gz QMETZIOPWLUIJR-OAHLLOKOSA-N 1 0 399.329 2.809 20 0 GFADRO Cn1nnc2c1C[C@@H]([NH2+]Cc1nc3ccc(Br)cc3s1)CC2 ZINC000922993780 664620612 /nfs/dbraw/zinc/62/06/12/664620612.db2.gz LMIHHOVIYWFCNO-JTQLQIEISA-N 1 0 378.299 2.834 20 0 GFADRO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)Nc1cc(Br)cc2c1NC(=O)CO2 ZINC000923017299 664621258 /nfs/dbraw/zinc/62/12/58/664621258.db2.gz BELMTQFUEXRQBK-AOOOYVTPSA-N 1 0 382.258 2.591 20 0 GFADRO COc1cc(C(=O)N2[C@@H]3CC[C@H]2C[N@H+](C)CC3)cc(OC)c1Br ZINC000923309295 664627982 /nfs/dbraw/zinc/62/79/82/664627982.db2.gz UBCRWLJRXCZHFU-OLZOCXBDSA-N 1 0 383.286 2.775 20 0 GFADRO O[C@@H](COc1c(Cl)cccc1Cl)CN1CC[NH2+]C[C@H]1c1cccnc1 ZINC000923347985 664628808 /nfs/dbraw/zinc/62/88/08/664628808.db2.gz AQSGFMPGHIBCET-PBHICJAKSA-N 1 0 382.291 2.775 20 0 GFADRO [NH3+][C@@H]1CN(C[C@@H](O)COc2c(Cl)cccc2Cl)CC[C@H]1C(F)(F)F ZINC000923431707 664630488 /nfs/dbraw/zinc/63/04/88/664630488.db2.gz WLSKAVNPBCSLEO-GIPNMCIBSA-N 1 0 387.229 2.945 20 0 GFADRO C[C@@H](C(=O)Nc1ccccc1Br)N1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923451746 664630802 /nfs/dbraw/zinc/63/08/02/664630802.db2.gz CLXVYRBWWAWMAO-UONOGXRCSA-N 1 0 396.329 2.606 20 0 GFADRO COc1cc(Br)c(C[NH+]2CCC3(CO[C@@H](C[NH3+])C3)CC2)cc1OC ZINC000923454187 664630894 /nfs/dbraw/zinc/63/08/94/664630894.db2.gz FPCAYLGDGOHGHV-CQSZACIVSA-N 1 0 399.329 2.796 20 0 GFADRO C[C@@H]1CN(Cc2nc(Cc3cccc(Br)c3)no2)CC[C@H]1C[NH3+] ZINC000923496921 664631369 /nfs/dbraw/zinc/63/13/69/664631369.db2.gz KHQVWGGENKUMBL-OCCSQVGLSA-N 1 0 379.302 2.840 20 0 GFADRO [NH3+]CC[C@@H]1CCN(S(=O)(=O)c2cc(Cl)c(Br)cc2F)C1 ZINC000923696317 664636255 /nfs/dbraw/zinc/63/62/55/664636255.db2.gz ACXJDRGINQDAJZ-MRVPVSSYSA-N 1 0 385.686 2.601 20 0 GFADRO Cc1cc(Br)ccc1CS(=O)(=O)N1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923704192 664636589 /nfs/dbraw/zinc/63/65/89/664636589.db2.gz SXQFCULLIHBACV-OLZOCXBDSA-N 1 0 375.332 2.504 20 0 GFADRO C[N@@H+]1C[C@@H](O)C[C@@]1(C)C(=O)NCc1cc(C(F)(F)F)ccc1Br ZINC000923960569 664641768 /nfs/dbraw/zinc/64/17/68/664641768.db2.gz KPNSOIWGGDMCCJ-FZMZJTMJSA-N 1 0 395.219 2.539 20 0 GFADRO COc1cc(-c2noc([C@@H]3C[N@@H+]4CCC[C@H]4CO3)n2)cc(Br)c1O ZINC000924009426 664644370 /nfs/dbraw/zinc/64/43/70/664644370.db2.gz XICMTLRPVWBOFB-GWCFXTLKSA-N 1 0 396.241 2.749 20 0 GFADRO Cc1ccc(Br)c(C(=O)OCCCN2CC[NH+](C(C)C)CC2)n1 ZINC000924028529 664644820 /nfs/dbraw/zinc/64/48/20/664644820.db2.gz ADQBYKDJHVGSBL-UHFFFAOYSA-N 1 0 384.318 2.725 20 0 GFADRO C[NH+]1CCC(CC(=O)NCc2ccn(-c3ccc(Br)cc3)n2)CC1 ZINC000924192720 664650411 /nfs/dbraw/zinc/65/04/11/664650411.db2.gz WSNXICRCVKEWHW-UHFFFAOYSA-N 1 0 391.313 2.983 20 0 GFADRO O=S1(=O)CC[C@H](C[NH2+][C@H](c2ccc(Br)cc2)c2cccnc2)C1 ZINC000924599951 664658786 /nfs/dbraw/zinc/65/87/86/664658786.db2.gz PGBNWIMBZLKEMQ-CXAGYDPISA-N 1 0 395.322 2.958 20 0 GFADRO CC(C)NS(=O)(=O)c1cccc(C[NH2+][C@@H](C)C2(Br)CC2)c1 ZINC000924739637 664660547 /nfs/dbraw/zinc/66/05/47/664660547.db2.gz XVDBDUYUYUNITP-LBPRGKRZSA-N 1 0 375.332 2.779 20 0 GFADRO CCN(CC)S(=O)(=O)c1ccc(CC[NH2+][C@@H]2CCOC[C@@H]2C(C)C)s1 ZINC000924948128 664664325 /nfs/dbraw/zinc/66/43/25/664664325.db2.gz UTCNIUSWXJRTOF-IAGOWNOFSA-N 1 0 388.599 2.972 20 0 GFADRO CCSc1ccccc1C[C@H](C)[NH2+]C1CCN(CCS(C)(=O)=O)CC1 ZINC000925016761 664665258 /nfs/dbraw/zinc/66/52/58/664665258.db2.gz ABDRXNULKQIMBD-INIZCTEOSA-N 1 0 384.611 2.828 20 0 GFADRO COc1ccc(Br)c(C(=O)NCCC[NH2+][C@@H](C)c2ncco2)c1 ZINC000925017331 664665309 /nfs/dbraw/zinc/66/53/09/664665309.db2.gz TXNOZYPUEPBWDF-NSHDSACASA-N 1 0 382.258 2.916 20 0 GFADRO O=C(N[C@H]1CCC[N@@H+]2CCSC[C@@H]12)N1C[C@@H]2CCC[C@]2(C(F)(F)F)C1 ZINC000925170939 664667811 /nfs/dbraw/zinc/66/78/11/664667811.db2.gz OMGWEYKIZWYHCR-YXWQFLTLSA-N 1 0 377.476 2.940 20 0 GFADRO CN(C[C@@H]1OCCc2sccc21)C(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000925169858 664667841 /nfs/dbraw/zinc/66/78/41/664667841.db2.gz LQPIPTPCUCWHMU-OAGGEKHMSA-N 1 0 381.567 2.583 20 0 GFADRO C[C@H]([NH2+]C[C@H](c1ccc(Cl)cc1)N(C)C)C1CCN(S(C)(=O)=O)CC1 ZINC000925201152 664668667 /nfs/dbraw/zinc/66/86/67/664668667.db2.gz BEVJHECFSDYWKS-KBXCAEBGSA-N 1 0 387.977 2.592 20 0 GFADRO C[C@@H]([NH2+][C@@H]1CCN(c2cccc(Cl)c2)C1)C1CCN(S(C)(=O)=O)CC1 ZINC000925228024 664669090 /nfs/dbraw/zinc/66/90/90/664669090.db2.gz FPYLTYSYEWUTQF-RHSMWYFYSA-N 1 0 385.961 2.568 20 0 GFADRO C[C@@H](c1cccc(Br)c1)N1CC(=O)N(C[C@H]2CCC[N@@H+]2C)C1=O ZINC000925288792 664669868 /nfs/dbraw/zinc/66/98/68/664669868.db2.gz NAYYPQUZFOHNIA-SWLSCSKDSA-N 1 0 380.286 2.869 20 0 GFADRO CCC[N@@H+]1CC[C@@H](N2C(=O)[C@@H](c3ccc(Br)s3)N(C)C2=O)C1 ZINC000925357951 664670884 /nfs/dbraw/zinc/67/08/84/664670884.db2.gz HZMZIVNJBZFDRU-ZWNOBZJWSA-N 1 0 386.315 2.930 20 0 GFADRO CCN(CC)S(=O)(=O)c1ccc(CN[C@@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)s1 ZINC000925585643 664673372 /nfs/dbraw/zinc/67/33/72/664673372.db2.gz IUGZPEPOANAIHA-HYVNUMGLSA-N 1 0 385.599 2.645 20 0 GFADRO [NH3+][C@H]1C[C@H](NCc2c(Br)cncc2Br)C12CCC2 ZINC000925679599 664673963 /nfs/dbraw/zinc/67/39/63/664673963.db2.gz KOFRTVAWYVPMQW-RYUDHWBXSA-N 1 0 375.108 2.966 20 0 GFADRO Cn1cc(I)c(CN[C@H](CCC[NH3+])c2ccccc2)n1 ZINC000925687223 664673968 /nfs/dbraw/zinc/67/39/68/664673968.db2.gz GKTLHYOOFFTPOT-CQSZACIVSA-N 1 0 384.265 2.595 20 0 GFADRO Brc1cncc(Br)c1CN[C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000925677901 664673971 /nfs/dbraw/zinc/67/39/71/664673971.db2.gz AMPRZPLXULEGCR-UHZXRMQZSA-N 1 0 387.119 2.693 20 0 GFADRO Cc1ccsc1[C@@H](Cc1ccccc1)[NH2+]CC[C@@H]1CNCCS1(=O)=O ZINC000925790732 664674736 /nfs/dbraw/zinc/67/47/36/664674736.db2.gz CMZFYPCBRQGGFT-QZTJIDSGSA-N 1 0 378.563 2.707 20 0 GFADRO C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)Nc1cc2c(cc1Br)OCCO2 ZINC000925909990 664677296 /nfs/dbraw/zinc/67/72/96/664677296.db2.gz OOZPCWCWKLEKIN-GHMZBOCLSA-N 1 0 384.274 2.587 20 0 GFADRO [NH3+]CC[C@H]1CCN(C(=O)Nc2cc(Br)ccc2-n2cccn2)C1 ZINC000926027311 664679377 /nfs/dbraw/zinc/67/93/77/664679377.db2.gz YBBMQQUODCUDES-LBPRGKRZSA-N 1 0 378.274 2.837 20 0 GFADRO O=C(Nc1cc(Br)ccc1F)N[C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000926027007 664679421 /nfs/dbraw/zinc/67/94/21/664679421.db2.gz OMJKSQYYNMDZIR-GFCCVEGCSA-N 1 0 386.265 2.868 20 0 GFADRO COc1ccc(NC(=O)N[C@H]2C[NH2+]CC3(CCOCC3)C2)cc1Br ZINC000926039124 664679613 /nfs/dbraw/zinc/67/96/13/664679613.db2.gz YIBGLTFQDPNBSY-CYBMUJFWSA-N 1 0 398.301 2.738 20 0 GFADRO COC(=O)c1cc(NC(=O)N2C[C@H]([NH3+])C(C)(C)C2)c(Br)cc1F ZINC000926046669 664679933 /nfs/dbraw/zinc/67/99/33/664679933.db2.gz SAHBBRBCPUIVEP-LBPRGKRZSA-N 1 0 388.237 2.576 20 0 GFADRO [NH3+]C1CCN(CCNC(=O)Nc2ccc(Cl)cc2Br)CC1 ZINC000926071662 664680861 /nfs/dbraw/zinc/68/08/61/664680861.db2.gz OEQVTIYQTPTDHV-UHFFFAOYSA-N 1 0 375.698 2.647 20 0 GFADRO Cc1nc(Br)ccc1NC(=O)N1CC[C@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000926082205 664681243 /nfs/dbraw/zinc/68/12/43/664681243.db2.gz FSEPKXVZAHLJJD-IUCAKERBSA-N 1 0 381.196 2.896 20 0 GFADRO Cc1nc(Br)ccc1NC(=O)N1CC[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000926082206 664681256 /nfs/dbraw/zinc/68/12/56/664681256.db2.gz FSEPKXVZAHLJJD-RKDXNWHRSA-N 1 0 381.196 2.896 20 0 GFADRO C[NH2+]C[C@@H]1CCCCN1C(=O)Nc1cc(Br)cnc1-n1cccn1 ZINC000926091627 664681416 /nfs/dbraw/zinc/68/14/16/664681416.db2.gz NXSKAGNMJIWFML-ZDUSSCGKSA-N 1 0 393.289 2.636 20 0 GFADRO CCOCCOc1ccc(Br)cc1NC(=O)N[C@@H]1C[NH2+]C[C@H]1C ZINC000926087721 664681450 /nfs/dbraw/zinc/68/14/50/664681450.db2.gz QSQAKLJFASLBGW-BXUZGUMPSA-N 1 0 386.290 2.594 20 0 GFADRO Cc1cc(Br)c(NC(=O)N2CCC[C@@]([NH3+])(CO)C2)cc1Cl ZINC000926092825 664681603 /nfs/dbraw/zinc/68/16/03/664681603.db2.gz IXGSGIBPVOPXCJ-AWEZNQCLSA-N 1 0 376.682 2.728 20 0 GFADRO CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)Cc1cccc(Br)c1)C2 ZINC000926177073 664684143 /nfs/dbraw/zinc/68/41/43/664684143.db2.gz DNYZOOMYQZVPQH-FPAYPSAMSA-N 1 0 395.341 2.588 20 0 GFADRO Cc1c(I)ccc(NC(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)c1C ZINC000926204441 664684776 /nfs/dbraw/zinc/68/47/76/664684776.db2.gz VRMRKAOFUOCTPT-QWHCGFSZSA-N 1 0 399.276 2.981 20 0 GFADRO [NH3+]CCN(Cc1cccc(Cl)c1)C(=O)N[C@@H]([C@H]1CCOC1)C(F)(F)F ZINC000926209373 664684785 /nfs/dbraw/zinc/68/47/85/664684785.db2.gz MXVHUGFJQMUUIW-JSGCOSHPSA-N 1 0 379.810 2.778 20 0 GFADRO CCON1CCC([NH2+]Cc2ccc(S(C)(=O)=O)c(C(F)(F)F)c2)CC1 ZINC000926299490 664687237 /nfs/dbraw/zinc/68/72/37/664687237.db2.gz MRZRACUSIVGBLI-UHFFFAOYSA-N 1 0 380.432 2.614 20 0 GFADRO C[C@@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)C(=O)N1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000926301861 664687425 /nfs/dbraw/zinc/68/74/25/664687425.db2.gz BGFODZVOAJCFEO-DYEKYZERSA-N 1 0 386.323 2.956 20 0 GFADRO C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)C(=O)N1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000926306373 664687549 /nfs/dbraw/zinc/68/75/49/664687549.db2.gz GJBRMKVXAFZUGI-FRRDWIJNSA-N 1 0 386.323 2.956 20 0 GFADRO COc1ccc(CN2CC[C@@H]([NH2+][C@H](C)C3(Br)CC3)C2=O)c(OC)c1 ZINC000926422196 664689902 /nfs/dbraw/zinc/68/99/02/664689902.db2.gz DCRVGWDIJQYSIC-IUODEOHRSA-N 1 0 397.313 2.710 20 0 GFADRO COCCOC1(C[NH2+][C@H](C)c2nc(Br)ccc2F)CCOCC1 ZINC000926502584 664690808 /nfs/dbraw/zinc/69/08/08/664690808.db2.gz UKCMYKAXVIPHKQ-GFCCVEGCSA-N 1 0 391.281 2.846 20 0 GFADRO CSCC1CCC([NH2+][C@@H](C)c2ccc(S(=O)(=O)CC(N)=O)cc2)CC1 ZINC000926511375 664691217 /nfs/dbraw/zinc/69/12/17/664691217.db2.gz WKYRKJCEQLIKSA-HLIUYOAVSA-N 1 0 384.567 2.518 20 0 GFADRO COC[C@@H](C[NH2+][C@@H](C)C1CCN(S(C)(=O)=O)CC1)c1ccc(Cl)cc1 ZINC000926520559 664691329 /nfs/dbraw/zinc/69/13/29/664691329.db2.gz RJDFWYKVHKIILU-WMLDXEAASA-N 1 0 388.961 2.720 20 0 GFADRO OC1CCN(CC[NH2+][C@H](c2ccc(Br)cc2)c2cccnc2)CC1 ZINC000926542906 664691962 /nfs/dbraw/zinc/69/19/62/664691962.db2.gz YQIVWSZUAVRFFL-LJQANCHMSA-N 1 0 390.325 2.980 20 0 GFADRO COc1ccc(Br)cc1C[C@H](CO)C[NH2+]C1[C@H](C)COC[C@H]1C ZINC000926544324 664692163 /nfs/dbraw/zinc/69/21/63/664692163.db2.gz YWPMTXRAJQLPLF-MCIONIFRSA-N 1 0 386.330 2.869 20 0 GFADRO COc1ccc(Br)cc1C[C@H](CO)C[NH2+][C@H](C)c1nonc1C ZINC000926543525 664692194 /nfs/dbraw/zinc/69/21/94/664692194.db2.gz RIMJSUGVWIKSMZ-PWSUYJOCSA-N 1 0 384.274 2.651 20 0 GFADRO O=S1(=O)C[C@H](C[NH2+][C@H]2CCCc3c(Cl)ccnc32)Oc2ccccc21 ZINC000926626070 664694175 /nfs/dbraw/zinc/69/41/75/664694175.db2.gz GOGGMTDVTWUNLW-WFASDCNBSA-N 1 0 378.881 2.937 20 0 GFADRO C[C@H]([NH2+][C@@H](CCO)c1ccc(Cl)c(F)c1)C1CCN(S(C)(=O)=O)CC1 ZINC000926779709 664696562 /nfs/dbraw/zinc/69/65/62/664696562.db2.gz ILQFWWXMNYJNEH-SJCJKPOMSA-N 1 0 392.924 2.552 20 0 GFADRO C[C@@H]([NH2+][C@H](CCO)c1ccc(Cl)c(F)c1)C1CCN(S(C)(=O)=O)CC1 ZINC000926779710 664696566 /nfs/dbraw/zinc/69/65/66/664696566.db2.gz ILQFWWXMNYJNEH-SJKOYZFVSA-N 1 0 392.924 2.552 20 0 GFADRO CCO[C@H](CNC(=O)N(C)Cc1ccc(Br)cc1F)C[NH+](C)C ZINC000926853528 664697981 /nfs/dbraw/zinc/69/79/81/664697981.db2.gz GGTPNEZAXCUHNV-CQSZACIVSA-N 1 0 390.297 2.696 20 0 GFADRO O=C1NCCN1CC[NH2+][C@H](c1ccc(Br)cc1)c1cccnc1 ZINC000926874567 664698302 /nfs/dbraw/zinc/69/83/02/664698302.db2.gz VITDLQPHUBSSSO-MRXNPFEDSA-N 1 0 375.270 2.548 20 0 GFADRO CN(Cc1ncc(Br)cn1)C(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000926975660 664700677 /nfs/dbraw/zinc/70/06/77/664700677.db2.gz DDMLRJGHCXFXBH-OAHLLOKOSA-N 1 0 377.286 2.891 20 0 GFADRO Cc1c([C@@H](C)[NH2+]CC[C@@H]2CNC(=O)C2)nnn1-c1cccc(Br)c1 ZINC000926990136 664701781 /nfs/dbraw/zinc/70/17/81/664701781.db2.gz ZVNPDEZGGUHKBN-YPMHNXCESA-N 1 0 392.301 2.515 20 0 GFADRO CCC[C@@H](O)CC[NH2+][C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000927016315 664702154 /nfs/dbraw/zinc/70/21/54/664702154.db2.gz ILCYHDRZDIQQEZ-OCCSQVGLSA-N 1 0 376.316 2.808 20 0 GFADRO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@@H]1C[C@H](O)C12CCOCC2 ZINC000927162447 664705405 /nfs/dbraw/zinc/70/54/05/664705405.db2.gz MGPMKJGCPLCXQO-WQVCFCJDSA-N 1 0 397.313 2.686 20 0 GFADRO Cc1cc(N2C(=O)N[C@H](C[NH+]3CCCCC3)C2=O)cc(F)c1Br ZINC000927251885 664706291 /nfs/dbraw/zinc/70/62/91/664706291.db2.gz KYCJWOYDXWYRAM-CYBMUJFWSA-N 1 0 384.249 2.807 20 0 GFADRO Cn1cc(CNC(=O)c2cccc([C@@H]3CCC[N@H+](C)C3)c2)c(Br)n1 ZINC000927622339 664712040 /nfs/dbraw/zinc/71/20/40/664712040.db2.gz RITCZOJSRWPAPD-OAHLLOKOSA-N 1 0 391.313 2.922 20 0 GFADRO Cn1cc(CNC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c(Br)n1 ZINC000927629353 664712485 /nfs/dbraw/zinc/71/24/85/664712485.db2.gz IHLIGOUBIPDAAB-OAHLLOKOSA-N 1 0 391.313 2.711 20 0 GFADRO O=C(NC[C@H]1CC[N@@H+]1C1CCOCC1)N1CCc2c1cccc2Br ZINC000927637350 664713115 /nfs/dbraw/zinc/71/31/15/664713115.db2.gz SPOSADGDLTXORN-CQSZACIVSA-N 1 0 394.313 2.775 20 0 GFADRO CN(C)c1cc[nH+]c(CNC(=O)c2nn(C(C)(C)C)cc2Br)c1 ZINC000927695497 664714197 /nfs/dbraw/zinc/71/41/97/664714197.db2.gz NGAJRRGUAPUGGQ-UHFFFAOYSA-N 1 0 380.290 2.792 20 0 GFADRO O=C(N[C@H]1CCC[N@@H+]2CCSC[C@@H]12)C1=C(c2ccccc2)SCCO1 ZINC000928081341 664722118 /nfs/dbraw/zinc/72/21/18/664722118.db2.gz SCCWVAUTUONGDY-HOTGVXAUSA-N 1 0 376.547 2.815 20 0 GFADRO O=C(Cc1csc(CCC(F)(F)F)n1)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000928099561 664723287 /nfs/dbraw/zinc/72/32/87/664723287.db2.gz DLRKXNNATARNFF-CHWSQXEVSA-N 1 0 393.500 2.877 20 0 GFADRO C[C@H]1[C@H](NC(=O)c2cnc3c(Cl)cc(Br)cc3c2O)CC[N@@H+]1C ZINC000928441816 664732517 /nfs/dbraw/zinc/73/25/17/664732517.db2.gz PJWMGSIKPLWFQJ-ISVAXAHUSA-N 1 0 398.688 2.766 20 0 GFADRO C[C@H]1[C@@H](NC(=O)CCc2nc(-c3cc(Br)cs3)no2)CC[N@@H+]1C ZINC000928443848 664732614 /nfs/dbraw/zinc/73/26/14/664732614.db2.gz HEWUVTJTQPRNLK-ONGXEEELSA-N 1 0 399.314 2.702 20 0 GFADRO Cc1cc(COc2ccc(C(=O)NC[C@H]3CC[N@H+]3C)cc2Br)on1 ZINC000928563186 664735107 /nfs/dbraw/zinc/73/51/07/664735107.db2.gz OMCPRYWHKYFHPX-CYBMUJFWSA-N 1 0 394.269 2.758 20 0 GFADRO O=C1CN(Cc2ccc(Cl)cc2)C(=O)N1[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000929012003 664745231 /nfs/dbraw/zinc/74/52/31/664745231.db2.gz KPNVCKXQUMREPM-HOTGVXAUSA-N 1 0 379.913 2.684 20 0 GFADRO C[C@H]1CCCN(C(=O)C2CCN(Cc3ccc(Br)nc3N)CC2)C1 ZINC000929282104 664749365 /nfs/dbraw/zinc/74/93/65/664749365.db2.gz RZUOIVGAXQDIOB-ZDUSSCGKSA-N 1 0 395.345 2.897 20 0 GFADRO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)CC(=O)Nc1ccccc1Br ZINC000929325278 664750286 /nfs/dbraw/zinc/75/02/86/664750286.db2.gz ICWLNUKPRBQNBD-OAHLLOKOSA-N 1 0 382.302 2.719 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)C1(n2cc(Br)cn2)CC1)c1cccs1 ZINC000929336430 664750496 /nfs/dbraw/zinc/75/04/96/664750496.db2.gz QFEASASHKVCKBU-LBPRGKRZSA-N 1 0 383.315 2.615 20 0 GFADRO O=C(Nc1ccc(F)cc1Br)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000929737748 664756858 /nfs/dbraw/zinc/75/68/58/664756858.db2.gz KYJHMJMMVLVGSE-GJZGRUSLSA-N 1 0 386.265 2.651 20 0 GFADRO C[C@H]1C[N@H+](CCOC2CCSCC2)CCN1CCOC1CCSCC1 ZINC000929875893 664759040 /nfs/dbraw/zinc/75/90/40/664759040.db2.gz OBEGYVCVBBDPKT-KRWDZBQOSA-N 1 0 388.643 2.817 20 0 GFADRO O=C(Nc1cc(C(F)(F)F)c[nH]c1=O)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000929902071 664759434 /nfs/dbraw/zinc/75/94/34/664759434.db2.gz QKSAPQSXCFDAAH-JQWIXIFHSA-N 1 0 376.404 2.507 20 0 GFADRO O=C(NCCC[N@@H+]1CCc2ccccc2C1)c1cc(=O)[nH]cc1Br ZINC000930074929 664762141 /nfs/dbraw/zinc/76/21/41/664762141.db2.gz MESQFNZKTUIFFZ-UHFFFAOYSA-N 1 0 390.281 2.728 20 0 GFADRO CC1(c2cccc(Br)c2)CC[NH+](C[C@@H](O)C[C@@]2(O)CCOC2)CC1 ZINC000930160601 664763614 /nfs/dbraw/zinc/76/36/14/664763614.db2.gz SGZWRCMSUSXWAE-HKUYNNGSSA-N 1 0 398.341 2.705 20 0 GFADRO CC(C)(COc1ncccc1Br)[NH2+]C[C@H](O)CCC1(O)CCC1 ZINC000930167904 664763810 /nfs/dbraw/zinc/76/38/10/664763810.db2.gz NTIIIHKJBVJGLF-CYBMUJFWSA-N 1 0 387.318 2.647 20 0 GFADRO O=C(NC[C@@H]1CC[N@@H+]1C1CCOCC1)Nc1ccc(F)c(Br)c1 ZINC000930254251 664765400 /nfs/dbraw/zinc/76/54/00/664765400.db2.gz OLPPXLCBEFFFEO-ZDUSSCGKSA-N 1 0 386.265 2.963 20 0 GFADRO Cc1cc(C(=O)NC[C@H]2CC[N@@H+](C)C2)nn1-c1ccccc1Br ZINC000930362208 664768035 /nfs/dbraw/zinc/76/80/35/664768035.db2.gz FPIUWCHIPYMSGR-CYBMUJFWSA-N 1 0 377.286 2.625 20 0 GFADRO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)c1cnnn1-c1cccc(Cl)c1Cl ZINC000930368669 664768411 /nfs/dbraw/zinc/76/84/11/664768411.db2.gz NAGJFFAUOJAAJC-LLVKDONJSA-N 1 0 380.279 2.788 20 0 GFADRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)c1cnnn1-c1cccc(Cl)c1Cl ZINC000930368670 664768436 /nfs/dbraw/zinc/76/84/36/664768436.db2.gz NAGJFFAUOJAAJC-NSHDSACASA-N 1 0 380.279 2.788 20 0 GFADRO COCC[C@H]([NH2+]C[C@H](O)C[C@]1(O)CCOC1)c1ccc(Cl)c(Cl)c1 ZINC000930370654 664768583 /nfs/dbraw/zinc/76/85/83/664768583.db2.gz PBFQJZTXOKGEGQ-XOKHGSTOSA-N 1 0 378.296 2.563 20 0 GFADRO CC[NH+](CC)CCNC(=O)c1cc(NC(=O)NC2CSC2)ccc1Cl ZINC000930530570 664772413 /nfs/dbraw/zinc/77/24/13/664772413.db2.gz UZURDTLCEPYHCY-UHFFFAOYSA-N 1 0 384.933 2.649 20 0 GFADRO O=C(N1CCC([NH+]2CCCCC2)CC1)C1(n2cc(Br)cn2)CC1 ZINC000930634078 664775092 /nfs/dbraw/zinc/77/50/92/664775092.db2.gz HJHSRSZBCOQJHK-UHFFFAOYSA-N 1 0 381.318 2.612 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)C[N@@H+]1[C@H](C)CC[C@H](C(N)=O)[C@H]1C ZINC000930914604 664780784 /nfs/dbraw/zinc/78/07/84/664780784.db2.gz ISLJTKBWHLBBER-BZPMIXESSA-N 1 0 382.302 2.670 20 0 GFADRO C[C@@H]1[C@@H]([NH+](C)C)CCN1Cc1noc(Cc2ccc(Br)cc2)n1 ZINC000931041933 664783799 /nfs/dbraw/zinc/78/37/99/664783799.db2.gz JCTTXGSYULJJRD-DOMZBBRYSA-N 1 0 379.302 2.947 20 0 GFADRO C[C@H]1[C@H]([NH+](C)C)CCN1Cc1csc(-c2ccc(S(C)(=O)=O)cc2)n1 ZINC000931042562 664783916 /nfs/dbraw/zinc/78/39/16/664783916.db2.gz NDYJTDBVDDQCFI-SUMWQHHRSA-N 1 0 379.551 2.738 20 0 GFADRO C[C@H]1[C@H]([NH+](C)C)CCN1Cc1nc(Cc2cccc(Br)c2)no1 ZINC000931043212 664783997 /nfs/dbraw/zinc/78/39/97/664783997.db2.gz PQIAYMOWUWCMDW-SWLSCSKDSA-N 1 0 379.302 2.947 20 0 GFADRO C[NH+](C)C[C@@H]1COC2(CCCC2)CN1Cc1ccc(Br)nc1N ZINC000931089065 664785296 /nfs/dbraw/zinc/78/52/96/664785296.db2.gz QLUQEVCRXQZZSM-CQSZACIVSA-N 1 0 383.334 2.502 20 0 GFADRO CC[NH+](CC)CC1CCN(C(=O)c2cc(Br)cn3ncnc23)CC1 ZINC000931108977 664786003 /nfs/dbraw/zinc/78/60/03/664786003.db2.gz GSUUNUNXOOCYQK-UHFFFAOYSA-N 1 0 394.317 2.686 20 0 GFADRO Cc1ccc(NC(=O)NC[C@H]2CC[N@@H+]2C2CCOCC2)nc1Br ZINC000931323998 664791721 /nfs/dbraw/zinc/79/17/21/664791721.db2.gz VCTKYVHAUODNIJ-CYBMUJFWSA-N 1 0 383.290 2.527 20 0 GFADRO CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)c1ccc(Br)[nH]c1=O ZINC000931345980 664792353 /nfs/dbraw/zinc/79/23/53/664792353.db2.gz CICDAIVJKOBPBT-UHFFFAOYSA-N 1 0 378.270 2.884 20 0 GFADRO COc1ccc([C@@H]2CN(Cc3ccc(Br)nc3N)CC[NH2+]2)cc1 ZINC000931548583 664798049 /nfs/dbraw/zinc/79/80/49/664798049.db2.gz SZOCYIKYJSECPQ-HNNXBMFYSA-N 1 0 377.286 2.581 20 0 GFADRO CCOC(=O)c1nc(NC(=O)NC[C@H]2CC[N@@H+]2CC)sc1C(F)(F)F ZINC000931599868 664800639 /nfs/dbraw/zinc/80/06/39/664800639.db2.gz WIWNDTAQMFIZEB-MRVPVSSYSA-N 1 0 380.392 2.554 20 0 GFADRO COC1(OC)CCOC[C@H]1[NH2+]CCC(=O)Nc1cc(Cl)ccc1Cl ZINC000931671559 664802207 /nfs/dbraw/zinc/80/22/07/664802207.db2.gz IYQUSCOSSUMHDZ-CQSZACIVSA-N 1 0 377.268 2.690 20 0 GFADRO CC[NH+]1CCC(n2nccc2NC(=O)c2c(C)[nH]nc2Br)CC1 ZINC000931676879 664802464 /nfs/dbraw/zinc/80/24/64/664802464.db2.gz KYUMWPKRRMWYEO-UHFFFAOYSA-N 1 0 381.278 2.586 20 0 GFADRO CC(C)[N@@H+]1CCCN(C(=O)C[C@H]2C(=O)Nc3c2cccc3Br)CC1 ZINC000931795193 664805097 /nfs/dbraw/zinc/80/50/97/664805097.db2.gz UBISYJTWZVHVLO-CQSZACIVSA-N 1 0 394.313 2.818 20 0 GFADRO O=C(C[N@@H+]1CC[C@H](C2OCCO2)C1)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000932011982 664808814 /nfs/dbraw/zinc/80/88/14/664808814.db2.gz LHDUFWQQVRMKEN-JTQLQIEISA-N 1 0 376.787 2.575 20 0 GFADRO C[C@@H](CNC(=O)c1cc(Br)cnc1Br)[NH+]1CCCC1 ZINC000932028897 664809209 /nfs/dbraw/zinc/80/92/09/664809209.db2.gz JXPJVYKRNATDKP-VIFPVBQESA-N 1 0 391.107 2.821 20 0 GFADRO C[C@]1([C@H]2CCC[N@H+](Cc3cn4cc(Br)ccc4n3)C2)COC(=O)N1 ZINC000932027518 664809241 /nfs/dbraw/zinc/80/92/41/664809241.db2.gz QJGDHBSQIZJNOH-YVEFUNNKSA-N 1 0 393.285 2.807 20 0 GFADRO C[C@@]1(C2CC[NH+](C[C@H](O)c3ccc(Br)cc3)CC2)COC(=O)N1 ZINC000932090944 664810026 /nfs/dbraw/zinc/81/00/26/664810026.db2.gz CSWFWKJONXUKBI-RDJZCZTQSA-N 1 0 383.286 2.693 20 0 GFADRO CC1(C)NC(=O)N(CCC[NH2+][C@H]2CCOc3ccc(Br)cc32)C1=O ZINC000932208506 664813670 /nfs/dbraw/zinc/81/36/70/664813670.db2.gz JYPHLCNNVOABRY-ZDUSSCGKSA-N 1 0 396.285 2.583 20 0 GFADRO C[NH+](C)CCOC1CCN(C(=O)c2cc(Br)cnc2C2CC2)CC1 ZINC000932678822 664831688 /nfs/dbraw/zinc/83/16/88/664831688.db2.gz LVOAANAHKQCDLD-UHFFFAOYSA-N 1 0 396.329 2.904 20 0 GFADRO C[NH+](C)CCC1CCN(C(=O)c2ccc3c(Br)cnn3c2)CC1 ZINC000932720226 664833111 /nfs/dbraw/zinc/83/31/11/664833111.db2.gz VGPOMKHVIFUBRG-UHFFFAOYSA-N 1 0 379.302 2.901 20 0 GFADRO Cc1ncc(NC(=O)NC[C@H]2CC[N@@H+]2C2CCOCC2)c(C)c1Br ZINC000932764848 664835631 /nfs/dbraw/zinc/83/56/31/664835631.db2.gz PXRHRICAEYGHPA-CQSZACIVSA-N 1 0 397.317 2.836 20 0 GFADRO O=C1NCCC2(CC[NH+](C[C@H](O)COc3ccc(Cl)cc3Cl)CC2)O1 ZINC000932767161 664835801 /nfs/dbraw/zinc/83/58/01/664835801.db2.gz LLCLJWNHRCQTGJ-ZDUSSCGKSA-N 1 0 389.279 2.698 20 0 GFADRO O=C1N[C@@H](C2CC[NH+](C[C@@H](O)COc3cc(Cl)cc(Cl)c3)CC2)CO1 ZINC000932773408 664836823 /nfs/dbraw/zinc/83/68/23/664836823.db2.gz UIMNHLJYRBJDJY-GDBMZVCRSA-N 1 0 389.279 2.554 20 0 GFADRO Cc1ncc(NC(=O)NCCCC[N@@H+]2CCC[C@@H]2CO)c(C)c1Br ZINC000932782505 664838111 /nfs/dbraw/zinc/83/81/11/664838111.db2.gz GLCZDZFVFYKXGF-CQSZACIVSA-N 1 0 399.333 2.819 20 0 GFADRO O[C@]1(c2ccc(Br)cc2)CCC[N@H+](C[C@@H]2C[C@H]3COC[C@@H]3O2)C1 ZINC000932813651 664839658 /nfs/dbraw/zinc/83/96/58/664839658.db2.gz BNZLBAMHODFNQK-XDKFSHSGSA-N 1 0 382.298 2.536 20 0 GFADRO O[C@@H](COc1cc(Cl)cc(Cl)c1)C[NH+]1CCC2(CC1)C[C@H](O)CCO2 ZINC000933057741 664848489 /nfs/dbraw/zinc/84/84/89/664848489.db2.gz YLYDZTMHGKGRBN-HZPDHXFCSA-N 1 0 390.307 2.739 20 0 GFADRO O=C(CC[NH+]1CCC2(CC1)C[C@H](O)CCO2)Nc1cccc(Br)c1 ZINC000933060468 664848700 /nfs/dbraw/zinc/84/87/00/664848700.db2.gz UUEVJFRRMCSZIG-MRXNPFEDSA-N 1 0 397.313 2.784 20 0 GFADRO O[C@H](COc1cc(Cl)ccc1Cl)C[NH+]1CCC2(CC1)C[C@H](O)CCO2 ZINC000933066200 664849068 /nfs/dbraw/zinc/84/90/68/664849068.db2.gz MSVYZIDBXFHOGS-CABCVRRESA-N 1 0 390.307 2.739 20 0 GFADRO COCCC[N@H+](C)CCNC(=O)Nc1c(F)ccc(Br)c1F ZINC000933291172 664855027 /nfs/dbraw/zinc/85/50/27/664855027.db2.gz UDBQKKDWBJHEHD-UHFFFAOYSA-N 1 0 380.233 2.817 20 0 GFADRO O[C@H](CNC1(c2ncccn2)CCOCC1)c1ccc(Br)cc1 ZINC000933335394 664859703 /nfs/dbraw/zinc/85/97/03/664859703.db2.gz BHVNPSWVYCCZIT-OAHLLOKOSA-N 1 0 378.270 2.568 20 0 GFADRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1cnnn1-c1cccc(Cl)c1Cl ZINC000933433254 664863594 /nfs/dbraw/zinc/86/35/94/664863594.db2.gz CSJHWIJNISYGPR-DGCLKSJQSA-N 1 0 382.295 2.986 20 0 GFADRO C[C@](CO)(Cc1ccc(Br)cc1)[NH2+]C[C@H](O)COCc1ccco1 ZINC000933437891 664863960 /nfs/dbraw/zinc/86/39/60/664863960.db2.gz QXSPFQTUBYTNTF-FUHWJXTLSA-N 1 0 398.297 2.503 20 0 GFADRO C[C@H]1CCCN1C(=O)CC[NH2+][C@@](C)(CO)Cc1ccc(Br)cc1 ZINC000933438758 664864258 /nfs/dbraw/zinc/86/42/58/664864258.db2.gz ZRDGMSRZBVIGNA-KBXCAEBGSA-N 1 0 383.330 2.733 20 0 GFADRO CCCn1c(C)nnc1C[NH2+][C@](C)(CO)Cc1ccc(Br)cc1 ZINC000933439125 664864287 /nfs/dbraw/zinc/86/42/87/664864287.db2.gz IRCCRWWEDWCTRV-KRWDZBQOSA-N 1 0 381.318 2.842 20 0 GFADRO C[C@@H]1C[C@H](N(C)C(=O)[C@](C)(O)c2ccc(F)c(Br)c2)CC[N@@H+]1C ZINC000933440419 664864488 /nfs/dbraw/zinc/86/44/88/664864488.db2.gz DQDPBAKUNUPJCU-CJBNDPTMSA-N 1 0 387.293 2.737 20 0 GFADRO C[C@H](C[NH+]1CCC(C(C)(C)CNC(=O)OC(C)(C)C)CC1)S(C)(=O)=O ZINC000933481664 664866274 /nfs/dbraw/zinc/86/62/74/664866274.db2.gz KKVRWSLQGQSYMG-CQSZACIVSA-N 1 0 376.563 2.682 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)c2cc(Br)cnc2Br)CC[N@@H+]1C ZINC000933490605 664866692 /nfs/dbraw/zinc/86/66/92/664866692.db2.gz BJWMADBYMNLQGP-SCZZXKLOSA-N 1 0 391.107 2.819 20 0 GFADRO CCOc1ccc(Br)c(C(=O)NCC[N@H+](C)CCCOC)c1F ZINC000933490940 664866938 /nfs/dbraw/zinc/86/69/38/664866938.db2.gz BXQQRYUQNDVQSP-UHFFFAOYSA-N 1 0 391.281 2.685 20 0 GFADRO C[N@@H+]1C[C@@H]2CN(CCS(=O)(=O)c3cc(Cl)ccc3Cl)C[C@]2(C)C1 ZINC000933748031 664876913 /nfs/dbraw/zinc/87/69/13/664876913.db2.gz HXLMKWYYOSHCGO-WBMJQRKESA-N 1 0 377.337 2.651 20 0 GFADRO Cn1cc([C@H]2CSCCCN2CC(=O)N2CCc3sccc3C2)cn1 ZINC000933986778 664884977 /nfs/dbraw/zinc/88/49/77/664884977.db2.gz JEJLWQVLIYHTKG-MRXNPFEDSA-N 1 0 376.551 2.547 20 0 GFADRO CN1CCN(Cc2coc(-c3ccc(Br)cc3)n2)CC[N@H+](C)CC1 ZINC000933996634 664886350 /nfs/dbraw/zinc/88/63/50/664886350.db2.gz QNNLNPSRVRZVLT-UHFFFAOYSA-N 1 0 393.329 2.783 20 0 GFADRO CO[C@@H]1CCOC[C@H]1[NH2+][C@H](C)C(=O)N[C@H](C)c1ccc(Cl)cc1Cl ZINC000934042493 664888468 /nfs/dbraw/zinc/88/84/68/664888468.db2.gz UMANUNJNWWATRZ-HOJOPBEUSA-N 1 0 375.296 2.953 20 0 GFADRO Cc1c(Br)ccc(F)c1C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000934043537 664888735 /nfs/dbraw/zinc/88/87/35/664888735.db2.gz LLWXEGXMNDGLAB-UHFFFAOYSA-N 1 0 385.277 2.833 20 0 GFADRO C[C@](Cn1cccn1)([NH2+]CC/C=C\c1ccc(Br)cc1)C(N)=O ZINC000934228262 664892955 /nfs/dbraw/zinc/89/29/55/664892955.db2.gz ZEBLIDPKEKDYLQ-OMUXJLDVSA-N 1 0 377.286 2.583 20 0 GFADRO C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000934258631 664894825 /nfs/dbraw/zinc/89/48/25/664894825.db2.gz CGJYCNFDBNHREG-JLZZUVOBSA-N 1 0 386.323 2.851 20 0 GFADRO O=[S@](CCN1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO)c1cc(Cl)ccc1Cl ZINC000934260177 664895062 /nfs/dbraw/zinc/89/50/62/664895062.db2.gz MTIYOYHPGKITGZ-VMPBMTGNSA-N 1 0 391.364 2.632 20 0 GFADRO Cc1c(Br)cncc1NC(=O)N[C@@H](C)CN(C)CCC[NH+](C)C ZINC000934273455 664897021 /nfs/dbraw/zinc/89/70/21/664897021.db2.gz NIFSONVMHYKHKQ-LBPRGKRZSA-N 1 0 386.338 2.546 20 0 GFADRO Cc1c(Br)cncc1NC(=O)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000934273680 664897138 /nfs/dbraw/zinc/89/71/38/664897138.db2.gz IBBGHQXDUGIXKB-JSGCOSHPSA-N 1 0 385.331 2.854 20 0 GFADRO Cn1cc(Br)c(C(=O)NC2CCC([NH+]3CCCCC3)CC2)cc1=O ZINC000934296597 664898067 /nfs/dbraw/zinc/89/80/67/664898067.db2.gz LKAUNYKWNZONDO-UHFFFAOYSA-N 1 0 396.329 2.675 20 0 GFADRO C[C@@](CO)([NH2+]C[C@H](O)CC1(O)CCCCC1)c1cccc(Br)c1 ZINC000934492321 664908269 /nfs/dbraw/zinc/90/82/69/664908269.db2.gz BRGXNCUHWKDGQF-SJORKVTESA-N 1 0 386.330 2.692 20 0 GFADRO Cn1nnc2cc(C[NH2+][C@](C)(CO)c3cccc(Br)c3)ccc21 ZINC000934497197 664909101 /nfs/dbraw/zinc/90/91/01/664909101.db2.gz HHTQHXNZVPKYKF-QGZVFWFLSA-N 1 0 375.270 2.728 20 0 GFADRO Cn1nnc2cc(C[NH2+][C@@](C)(CO)c3cccc(Br)c3)ccc21 ZINC000934497196 664909164 /nfs/dbraw/zinc/90/91/64/664909164.db2.gz HHTQHXNZVPKYKF-KRWDZBQOSA-N 1 0 375.270 2.728 20 0 GFADRO CC(C)[NH+]1CCC(O)(CNC(=O)c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000934734738 664916198 /nfs/dbraw/zinc/91/61/98/664916198.db2.gz GZYVOZMBZWTIOT-UHFFFAOYSA-N 1 0 379.810 2.719 20 0 GFADRO COC(=O)C(C)(C)CC[NH2+][C@H](CO)c1ccccc1I ZINC000934828363 664925680 /nfs/dbraw/zinc/92/56/80/664925680.db2.gz PNPANQVGQZIJBI-CYBMUJFWSA-N 1 0 391.249 2.504 20 0 GFADRO C[C@H](NC(=O)COC1CC[NH+](C)CC1)[C@H](O)c1c(Cl)cccc1Cl ZINC000934957210 664931840 /nfs/dbraw/zinc/93/18/40/664931840.db2.gz KDSNCIAFCDPROK-GTNSWQLSSA-N 1 0 375.296 2.642 20 0 GFADRO C[C@@H](NC(=O)COC1CC[NH+](C)CC1)[C@H](O)c1c(Cl)cccc1Cl ZINC000934957208 664931935 /nfs/dbraw/zinc/93/19/35/664931935.db2.gz KDSNCIAFCDPROK-DIFFPNOSSA-N 1 0 375.296 2.642 20 0 GFADRO C[C@H](NC(=O)c1cc2cc(Br)cnc2n1C)C1=CC[N@H+](C)CC1 ZINC000935314008 664952854 /nfs/dbraw/zinc/95/28/54/664952854.db2.gz SAVIXUZVLUCNDV-NSHDSACASA-N 1 0 377.286 2.716 20 0 GFADRO CS[C@@H]1CN(C(=O)c2cnc(Br)c(C)c2)C[C@@H]1[NH+]1CCCC1 ZINC000935367623 664957119 /nfs/dbraw/zinc/95/71/19/664957119.db2.gz MZCDXOUJVGLXDR-UONOGXRCSA-N 1 0 384.343 2.804 20 0 GFADRO Cc1[nH]nc(Br)c1C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000935408411 664959664 /nfs/dbraw/zinc/95/96/64/664959664.db2.gz CETJSVAVEUVXTN-BXUZGUMPSA-N 1 0 377.286 2.731 20 0 GFADRO C[C@H](NC(=O)c1cc(=O)n(C)cc1Br)[C@H](c1ccccc1)[NH+](C)C ZINC000935437060 664961609 /nfs/dbraw/zinc/96/16/09/664961609.db2.gz GINJTKGBJVQIGI-YVEFUNNKSA-N 1 0 392.297 2.569 20 0 GFADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)C/C=C\c1ccc(Br)cc1 ZINC000935447234 664962460 /nfs/dbraw/zinc/96/24/60/664962460.db2.gz YJZNNCBTTKGMQM-QGZUEGPWSA-N 1 0 394.357 2.995 20 0 GFADRO CC[C@@H]1C[N@H+](C)CCCN1C(=O)C[C@@H]1C(=O)Nc2c1cccc2Br ZINC000935774422 664987877 /nfs/dbraw/zinc/98/78/77/664987877.db2.gz HCLAXPNYZCVOQB-OCCSQVGLSA-N 1 0 394.313 2.818 20 0 GFADRO C[C@@H]1C[C@H](N2CCOCC2)CN1C(=O)c1cc(Br)cnc1C1CC1 ZINC000935930624 664999196 /nfs/dbraw/zinc/99/91/96/664999196.db2.gz AYQXLADWGTVBFW-DOMZBBRYSA-N 1 0 394.313 2.657 20 0 GFADRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1nc(Br)c2ccccn21 ZINC000935940676 665000254 /nfs/dbraw/zinc/00/02/54/665000254.db2.gz OYIOADOUCFBCKK-CHWSQXEVSA-N 1 0 377.286 2.796 20 0 GFADRO O=C([C@@H]1OC[C@@H]2CCC[C@@H]21)N1CCC[N@@H+](CC[C@@H]2CC2(Cl)Cl)CC1 ZINC000981639805 665018160 /nfs/dbraw/zinc/01/81/60/665018160.db2.gz ZIJGJCINKIJILS-XUWVNRHRSA-N 1 0 375.340 2.920 20 0 GFADRO C[N@@H+]1CC[C@@H](CC(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2csc(Cl)c2)C3)C1 ZINC000996387090 665030645 /nfs/dbraw/zinc/03/06/45/665030645.db2.gz COGORWHFXMKTNG-ATGSNQNLSA-N 1 0 381.929 2.605 20 0 GFADRO C[NH+]1CCC(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2sccc2Cl)C3)CC1 ZINC000997298209 665034987 /nfs/dbraw/zinc/03/49/87/665034987.db2.gz CQKRLAUKBVLOON-SNPRPXQTSA-N 1 0 381.929 2.605 20 0 GFADRO C[N@@H+]1CC[C@H](CC(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2sccc2Cl)C3)C1 ZINC000997297446 665034999 /nfs/dbraw/zinc/03/49/99/665034999.db2.gz AORDZZIBZWEWSW-UXOAXIEHSA-N 1 0 381.929 2.605 20 0 GFADRO C[N@@H+]1CCCC[C@@H]1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1sccc1Cl)C2 ZINC000997303054 665035581 /nfs/dbraw/zinc/03/55/81/665035581.db2.gz VPIPUBGTBKCYIJ-UQOMUDLDSA-N 1 0 381.929 2.748 20 0 GFADRO C[N@@H+]1CCCC[C@@H]1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cscc1Cl)C2 ZINC000997468323 665036443 /nfs/dbraw/zinc/03/64/43/665036443.db2.gz UCAFQLKSZHGGGN-IPOQPSJVSA-N 1 0 381.929 2.748 20 0 GFADRO O=C([C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)N1CCC(C[NH2+]Cc2csc(Cl)n2)CC1 ZINC000997919023 665038095 /nfs/dbraw/zinc/03/80/95/665038095.db2.gz LLYRIWOPVGBLDS-LEOABGAYSA-N 1 0 381.929 2.548 20 0 GFADRO C[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1sccc1Cl ZINC000998069805 665038676 /nfs/dbraw/zinc/03/86/76/665038676.db2.gz CZZWWVXMOVUPQN-UNQGMJICSA-N 1 0 381.929 2.748 20 0 GFADRO C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccc(Cl)s1 ZINC001003868125 665062356 /nfs/dbraw/zinc/06/23/56/665062356.db2.gz UVBILAJFBRCKCU-YIYPIFLZSA-N 1 0 381.929 2.748 20 0 GFADRO C[C@H]1CC[N@H+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2csc(Cl)c2)C1 ZINC001006289612 665069912 /nfs/dbraw/zinc/06/99/12/665069912.db2.gz RNLAMCCFXTXOTE-MYPMTAMASA-N 1 0 381.929 2.605 20 0 GFADRO C[C@H]1CC[N@H+](CC(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ccc(Cl)s2)C3)C1 ZINC001006404416 665070258 /nfs/dbraw/zinc/07/02/58/665070258.db2.gz NXLQDRHIHSBFLK-DGAVXFQQSA-N 1 0 381.929 2.605 20 0 GFADRO C[NH+](C)[C@@H](C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(Cl)s1)C2)C1CC1 ZINC001006404736 665070376 /nfs/dbraw/zinc/07/03/76/665070376.db2.gz PDVKLHMMKXPFCV-NFFDBFGFSA-N 1 0 381.929 2.603 20 0 GFADRO O=C(NC[C@@H](O)c1ccsc1)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000120409588 677396243 /nfs/dbraw/zinc/39/62/43/677396243.db2.gz VZCSABCYCYWZIJ-MRXNPFEDSA-N 1 0 383.583 2.832 20 0 GFADRO C[C@@H](Cn1cc(Br)cn1)[NH2+]CCc1cc(F)cc2c1OCOC2 ZINC000120704404 677397635 /nfs/dbraw/zinc/39/76/35/677397635.db2.gz YLBDASUSBPMGCX-NSHDSACASA-N 1 0 384.249 2.872 20 0 GFADRO Brc1cnc(NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)cn1 ZINC000391139245 677409070 /nfs/dbraw/zinc/40/90/70/677409070.db2.gz OQVVJZPMCPKZND-OAHLLOKOSA-N 1 0 377.286 2.942 20 0 GFADRO C[C@H](C[NH+]1CCCCC1)Nc1cnn(CC(F)(F)F)c(=O)c1Br ZINC000391491936 677409196 /nfs/dbraw/zinc/40/91/96/677409196.db2.gz BHELUILWZLVMTE-SNVBAGLBSA-N 1 0 397.239 2.854 20 0 GFADRO C[NH+](C)CCN(Cc1cccs1)S(=O)(=O)CC1Cc2ccccc2C1 ZINC000578919555 677673331 /nfs/dbraw/zinc/67/33/31/677673331.db2.gz PRPVBBFXMCSZHA-UHFFFAOYSA-N 1 0 378.563 2.857 20 0 GFADRO CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccc(Cl)s2)C[C@H]1c1cn(C)cn1 ZINC001070526257 677675933 /nfs/dbraw/zinc/67/59/33/677675933.db2.gz ZMFZTCJKRSPNLB-GUIRCDHDSA-N 1 0 378.929 2.843 20 0 GFADRO [NH3+]CC1(F)CCN(c2nc(Cl)nc3c2CN(Cc2ccccc2)CC3)CC1 ZINC001164393087 718812564 /nfs/dbraw/zinc/81/25/64/718812564.db2.gz QEVUKXIBWWQUHA-UHFFFAOYSA-N 1 0 389.906 2.956 20 0 GFADRO Fc1ccc2nc(C(F)(F)N3CCO[C@H]4C[NH2+]CC[C@@H]4C3)nc(Cl)c2c1 ZINC001164403411 718862507 /nfs/dbraw/zinc/86/25/07/718862507.db2.gz NNCNCYSFCGEVRT-YGRLFVJLSA-N 1 0 386.805 2.782 20 0 GFADRO FC(F)(Oc1ccc2c(Cl)ncnc2c1)N1CCO[C@@H]2C[NH2+]CC[C@@H]2C1 ZINC001164410420 718863551 /nfs/dbraw/zinc/86/35/51/718863551.db2.gz ZZTGIVRUQXFFEE-IAQYHMDHSA-N 1 0 384.814 2.523 20 0 GFADRO FC(F)(c1ccc(Cl)c(Cl)n1)N1CCCO[C@@]2(C[NH2+]CCOC2)C1 ZINC001164423851 718914246 /nfs/dbraw/zinc/91/42/46/718914246.db2.gz KDVIWQCANCHNIA-AWEZNQCLSA-N 1 0 382.238 2.519 20 0 GFADRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@@H]2N1C(F)(F)c1ccc(Cl)nc1Cl ZINC001164620289 719012350 /nfs/dbraw/zinc/01/23/50/719012350.db2.gz YEHOVKNWPDQLLN-LSJOCFKGSA-N 1 0 380.222 2.663 20 0 GFADRO COC(=O)CSc1cncc(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC001164627403 719103446 /nfs/dbraw/zinc/10/34/46/719103446.db2.gz KDFSBHUBPULGJP-ROUUACIJSA-N 1 0 398.532 2.843 20 0 GFADRO CCOC(=O)c1ccc(C(F)(F)N2C[C@@H](CF)[C@H](C3([NH3+])CC3)C2)c(Cl)n1 ZINC001164625310 719121385 /nfs/dbraw/zinc/12/13/85/719121385.db2.gz WSGMVLPTHAKKJR-ZYHUDNBSSA-N 1 0 391.821 2.970 20 0 GFADRO [NH3+]C1([C@@H]2CN(C(F)(F)COC(=O)Nc3ccc(Cl)nc3)C[C@@H]2CF)CC1 ZINC001164624741 719125397 /nfs/dbraw/zinc/12/53/97/719125397.db2.gz VYHMSAOTBNUSFD-CMPLNLGQSA-N 1 0 392.809 2.885 20 0 GFADRO C[C@H]1C[N@H+](C)[C@@H](C)CN1c1ncc2cc(C(=O)N(C)C)n(C3CCCC3)c2n1 ZINC001164637357 719200370 /nfs/dbraw/zinc/20/03/70/719200370.db2.gz OCMODMUXKAVNCG-GJZGRUSLSA-N 1 0 384.528 2.777 20 0 GFADRO CC(C)N(C)Cc1nn(-c2cc(-c3ccc(F)cc3)ncn2)c2c1CC[NH2+]C2 ZINC001164680170 719643653 /nfs/dbraw/zinc/64/36/53/719643653.db2.gz QXWIVLHGHYPQMC-UHFFFAOYSA-N 1 0 380.471 2.954 20 0 GFADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1nc(SC)nc3sccc31)CC2 ZINC001164683521 719703597 /nfs/dbraw/zinc/70/35/97/719703597.db2.gz KQMUFLSPPURCCJ-UHFFFAOYSA-N 1 0 391.566 2.594 20 0 GFADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1ncc(Cl)nc1-c1ccccc1)CC2 ZINC001164690272 719744755 /nfs/dbraw/zinc/74/47/55/719744755.db2.gz XWSSSZMKSXDWQF-UHFFFAOYSA-N 1 0 399.926 2.978 20 0 GFADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2ccc4c(n2)OCC(=O)N4)CC3)cs1 ZINC001164693834 719808549 /nfs/dbraw/zinc/80/85/49/719808549.db2.gz RMKRUQHHXGLGJH-UHFFFAOYSA-N 1 0 399.520 2.812 20 0 GFADRO CC(C)(c1ccnc(Cl)c1)[N@@H+]1C[C@@H]2COC[C@H](C(=O)N3CCCCO3)[C@@H]2C1 ZINC001164703065 719924041 /nfs/dbraw/zinc/92/40/41/719924041.db2.gz ILTODZIOZREVKO-OIISXLGYSA-N 1 0 393.915 2.719 20 0 GFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ncccc1C(=O)N1CCCC1)C2 ZINC001164813095 720069581 /nfs/dbraw/zinc/06/95/81/720069581.db2.gz SKTWTZNDVSOUJJ-WMZHIEFXSA-N 1 0 398.551 2.502 20 0 GFADRO COCc1nn(-c2nc(CN3CCCC3)nc3sc(C)c(C)c32)c2c1C[NH2+]C2 ZINC001164713971 720078749 /nfs/dbraw/zinc/07/87/49/720078749.db2.gz VHLMAFMRAAWLJV-UHFFFAOYSA-N 1 0 398.536 2.839 20 0 GFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1cnnc(Cl)c1)C2 ZINC001164811601 720117660 /nfs/dbraw/zinc/11/76/60/720117660.db2.gz MUDJDACWBQMYIE-DOTOQJQBSA-N 1 0 386.874 2.860 20 0 GFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1cncc(Cl)n1)C2 ZINC001164818867 720149415 /nfs/dbraw/zinc/14/94/15/720149415.db2.gz VBWOYUGUICZTIB-YOEHRIQHSA-N 1 0 386.874 2.860 20 0 GFADRO Cc1nc2sccc2c(N2CCCn3c(=O)cc(C[N@@H+](C)C(C)C)nc3C2)n1 ZINC001164812678 720209368 /nfs/dbraw/zinc/20/93/68/720209368.db2.gz LUKHIIJJWCSUMZ-UHFFFAOYSA-N 1 0 398.536 2.807 20 0 GFADRO Cc1nc2ccsc2c(N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164820606 720287067 /nfs/dbraw/zinc/28/70/67/720287067.db2.gz WOPDKAYVWNIDRU-ROUUACIJSA-N 1 0 399.564 2.911 20 0 GFADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2ncnc3c(F)cccc32)CC1 ZINC001164824593 720313285 /nfs/dbraw/zinc/31/32/85/720313285.db2.gz SAERYMCJSPSDBO-OALUTQOASA-N 1 0 397.498 2.680 20 0 GFADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2nccc3ncsc32)CC1 ZINC001164825426 720331135 /nfs/dbraw/zinc/33/11/35/720331135.db2.gz DVASBLXVRCCTRN-IAGOWNOFSA-N 1 0 385.537 2.603 20 0 GFADRO COC(=O)c1ccc2ncnc(N3CC[C@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)c2c1 ZINC001164725168 720346660 /nfs/dbraw/zinc/34/66/60/720346660.db2.gz MBHGNKFZGSLGMA-VQTJNVASSA-N 1 0 389.459 2.665 20 0 GFADRO CCOC(=O)c1cc2ccnc(N3CC[C@@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)c2[nH]1 ZINC001164725393 720371225 /nfs/dbraw/zinc/37/12/25/720371225.db2.gz NEIGSMUMSWSMHR-RTBURBONSA-N 1 0 391.475 2.988 20 0 GFADRO CCOC(=O)c1nnc(Cl)cc1N1CC[C@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164725057 720374733 /nfs/dbraw/zinc/37/47/33/720374733.db2.gz LLHTXUNYTORSJO-LSDHHAIUSA-N 1 0 387.871 2.555 20 0 GFADRO O=c1ccccn1Cc1ccc(N2CC[C@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)nc1 ZINC001164732418 720448718 /nfs/dbraw/zinc/44/87/18/720448718.db2.gz NFXIYBYBGBUQBM-SFTDATJTSA-N 1 0 387.487 2.540 20 0 GFADRO COc1cc2ccc(N3Cc4nccn4C[C@@H](C[NH+](C)C)C3)nc2cc1OC ZINC001164727423 720518243 /nfs/dbraw/zinc/51/82/43/720518243.db2.gz FYSGYJGNQLRCKA-OAHLLOKOSA-N 1 0 381.480 2.647 20 0 GFADRO C[NH+](C)C[C@H]1Cn2ccnc2CN(c2nc3ccccc3nc2N2CCCC2)C1 ZINC001164731862 720522979 /nfs/dbraw/zinc/52/29/79/720522979.db2.gz BDSBFZWCNGEBJF-KRWDZBQOSA-N 1 0 391.523 2.625 20 0 GFADRO COC(=O)c1cnc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c(C)c1 ZINC001164835312 720524640 /nfs/dbraw/zinc/52/46/40/720524640.db2.gz JWSVWDLWKLFZCH-HSALFYBXSA-N 1 0 397.523 2.751 20 0 GFADRO CC(C)[N@H+]1[C@@H]2CCN(c3cncc(N4CCCC4)n3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164840872 720575234 /nfs/dbraw/zinc/57/52/34/720575234.db2.gz UJIBIFOBRZJYGC-SLFFLAALSA-N 1 0 395.555 2.651 20 0 GFADRO COc1ncc(Cl)c(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)n1 ZINC001164841093 720633633 /nfs/dbraw/zinc/63/36/33/720633633.db2.gz RARDWMOUHJQZNS-ZMSDIMECSA-N 1 0 390.919 2.713 20 0 GFADRO Cn1cnc2ncnc(N3CCC4(C[C@H]([N@H+](C)Cc5ccccc5)CO4)CC3)c21 ZINC001164843206 720673439 /nfs/dbraw/zinc/67/34/39/720673439.db2.gz VGABCAAJODYAJP-SFHVURJKSA-N 1 0 392.507 2.623 20 0 GFADRO Cc1nc2cc(Cl)ccc2c(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)n1 ZINC001164743724 720702583 /nfs/dbraw/zinc/70/25/83/720702583.db2.gz XWSRMZFTEVZBOE-HZPDHXFCSA-N 1 0 396.882 2.724 20 0 GFADRO CC(C)(C)c1cc(Cl)nc(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)n1 ZINC001164740362 720744669 /nfs/dbraw/zinc/74/46/69/720744669.db2.gz KHGNTPLKLPWMCH-KBPBESRZSA-N 1 0 388.903 2.559 20 0 GFADRO CC[C@H](C)c1nc2[nH]ccc2c(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)n1 ZINC001164747471 720807226 /nfs/dbraw/zinc/80/72/26/720807226.db2.gz ODHDHSOMBFSWTI-HRCADAONSA-N 1 0 393.495 2.603 20 0 GFADRO c1cc2c(ncnc2N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)s1 ZINC001164744930 720809379 /nfs/dbraw/zinc/80/93/79/720809379.db2.gz JVNIJLMSTMNUOV-JFIYKMOQSA-N 1 0 395.536 2.662 20 0 GFADRO Cc1nc(C(C)C)cc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164744230 720812719 /nfs/dbraw/zinc/81/27/19/720812719.db2.gz IELXGJYVZFLTDW-IRFCIJBXSA-N 1 0 395.555 2.879 20 0 GFADRO c1ncn(C[C@@H]2C[C@@H]3CN(c4cnc5ccccc5n4)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164751292 720813251 /nfs/dbraw/zinc/81/32/51/720813251.db2.gz YCCRNHWVVKNIEO-LVCYWYKZSA-N 1 0 389.507 2.601 20 0 GFADRO Cc1c[nH]c2nc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)ccc12 ZINC001164741262 720821017 /nfs/dbraw/zinc/82/10/17/720821017.db2.gz MTFCSZLSLUNGBV-QWFCFKBJSA-N 1 0 391.523 2.842 20 0 GFADRO CC(C)c1cc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)ncn1 ZINC001164740798 720823191 /nfs/dbraw/zinc/82/31/91/720823191.db2.gz LGQKQTNLWQYSFO-CMKODMSKSA-N 1 0 381.528 2.571 20 0 GFADRO c1ncn(C[C@H]2C[C@H]3CN(c4ccc5ncccc5n4)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164739817 720825055 /nfs/dbraw/zinc/82/50/55/720825055.db2.gz IWMSGYJHVMAUTA-WAOWUJCRSA-N 1 0 389.507 2.601 20 0 GFADRO c1ncn(C[C@@H]2C[C@@H]3CN(c4cc(C5CCC5)ncn4)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164750197 720854687 /nfs/dbraw/zinc/85/46/87/720854687.db2.gz OOHHYBLSSFDLPN-SVFBPWRDSA-N 1 0 393.539 2.715 20 0 GFADRO Nc1cccnc1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164749971 720880011 /nfs/dbraw/zinc/88/00/11/720880011.db2.gz IEVBPFMBSIOIIZ-REWPJTCUSA-N 1 0 393.535 2.814 20 0 GFADRO COC(=O)c1cnc(Cl)nc1N1CCn2c(C[N@H+](C)C(C)C)cnc2[C@H]1C ZINC001164860740 720925531 /nfs/dbraw/zinc/92/55/31/720925531.db2.gz SOLIIDAQOKAUFE-GFCCVEGCSA-N 1 0 392.891 2.535 20 0 GFADRO C[NH+](C)CCNC(=O)c1noc2c1CN(c1ccc3cc(Cl)ccc3n1)CC2 ZINC001164749508 720947789 /nfs/dbraw/zinc/94/77/89/720947789.db2.gz HDMSEXISTASDHL-UHFFFAOYSA-N 1 0 399.882 2.730 20 0 GFADRO C[NH+](C)CCNC(=O)c1noc2c1CN(c1ccc3cccc(Cl)c3n1)CC2 ZINC001164752220 720952277 /nfs/dbraw/zinc/95/22/77/720952277.db2.gz WRUVWWCLNNZGEN-UHFFFAOYSA-N 1 0 399.882 2.730 20 0 GFADRO COCCn1ccc2c1ncnc2N1CCn2c(C[N@H+](C)C(C)C)cnc2[C@H]1C ZINC001164864198 720969246 /nfs/dbraw/zinc/96/92/46/720969246.db2.gz ZIZRSMJNIHBGHS-MRXNPFEDSA-N 1 0 397.527 2.696 20 0 GFADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1nc(C(N)=O)cc3ccccc31)[C@H]2C ZINC001164864598 721008768 /nfs/dbraw/zinc/00/87/68/721008768.db2.gz YIYCZMVIGDKWAA-HNNXBMFYSA-N 1 0 392.507 2.952 20 0 GFADRO COc1nc(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@@H]2C)nc2c1ccn2C ZINC001164856727 721019454 /nfs/dbraw/zinc/01/94/54/721019454.db2.gz BMXRYKJVVGBLRH-AWEZNQCLSA-N 1 0 383.500 2.595 20 0 GFADRO C[NH+](C)Cc1ccnc(N2CCC[C@@]3(C[C@@H](OCc4ccccn4)CO3)C2)c1 ZINC001164764607 721031910 /nfs/dbraw/zinc/03/19/10/721031910.db2.gz MWLLYRFANKHMRX-IFMALSPDSA-N 1 0 382.508 2.883 20 0 GFADRO C[NH+](C)Cc1ccnc(N2CCC[C@]3(C[C@H](OCc4ccccn4)CO3)C2)c1 ZINC001164764617 721032065 /nfs/dbraw/zinc/03/20/65/721032065.db2.gz MWLLYRFANKHMRX-UNMCSNQZSA-N 1 0 382.508 2.883 20 0 GFADRO Fc1ccc2ncnc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)c2c1 ZINC001164867842 721055400 /nfs/dbraw/zinc/05/54/00/721055400.db2.gz KWVWKMKKICHSCN-ROUUACIJSA-N 1 0 379.439 2.644 20 0 GFADRO Fc1ccc2c(c1)ncnc2N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164871424 721055825 /nfs/dbraw/zinc/05/58/25/721055825.db2.gz YSLBCHRWQRLBKK-MSOLQXFVSA-N 1 0 379.439 2.644 20 0 GFADRO Cc1cccc(CN2C(=O)C[C@H]3[C@H]2CCN3c2ncccc2C[NH+]2CCCC2)n1 ZINC001164774031 721056254 /nfs/dbraw/zinc/05/62/54/721056254.db2.gz UFKPBAKAMDYSOI-RTWAWAEBSA-N 1 0 391.519 2.761 20 0 GFADRO COc1nc2ccccc2nc1N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164866825 721064454 /nfs/dbraw/zinc/06/44/54/721064454.db2.gz FZCRHWQNDCSBEN-ZWKOTPCHSA-N 1 0 391.475 2.513 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4cc(C(=O)OC(C)(C)C)ccn4)C[C@H]3C2)cn1 ZINC001164773199 721087460 /nfs/dbraw/zinc/08/74/60/721087460.db2.gz XBANDIZZFQVTND-RTBURBONSA-N 1 0 397.523 2.729 20 0 GFADRO COc1cccc2ccc(N3C[C@H]4CC[N@H+](Cc5cnn(C)c5)C[C@@H]4C3)nc21 ZINC001164773206 721095861 /nfs/dbraw/zinc/09/58/61/721095861.db2.gz XCIJZPUCEHFNAL-RTBURBONSA-N 1 0 377.492 2.935 20 0 GFADRO Fc1ccc2cnnc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)c2c1 ZINC001164865318 721097061 /nfs/dbraw/zinc/09/70/61/721097061.db2.gz KAARKSNJLVBSFY-MOPGFXCFSA-N 1 0 379.439 2.644 20 0 GFADRO Fc1cccc2ncnc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)c12 ZINC001164865578 721098198 /nfs/dbraw/zinc/09/81/98/721098198.db2.gz NDQKLAYGSMGMRG-DLBZAZTESA-N 1 0 379.439 2.644 20 0 GFADRO Cc1nc2cc(F)ccc2c(N2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)n1 ZINC001164766643 721098868 /nfs/dbraw/zinc/09/88/68/721098868.db2.gz LBOMJDSUHWTONZ-DLBZAZTESA-N 1 0 380.471 2.769 20 0 GFADRO FC(F)(c1cncc(Cl)n1)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164865644 721122573 /nfs/dbraw/zinc/12/25/73/721122573.db2.gz NURXEWVOSGVMGH-HUUCEWRRSA-N 1 0 395.841 2.550 20 0 GFADRO FC(F)(c1cncc(Cl)n1)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164865645 721123455 /nfs/dbraw/zinc/12/34/55/721123455.db2.gz NURXEWVOSGVMGH-LSDHHAIUSA-N 1 0 395.841 2.550 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4cc(-c5cccs5)ncn4)C[C@@H]3C2)cn1 ZINC001164771807 721209733 /nfs/dbraw/zinc/20/97/33/721209733.db2.gz QTUXXMIWQGEEOR-IRXDYDNUSA-N 1 0 380.521 2.897 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4ccc(-c5cccc(F)c5)nn4)C[C@@H]3C2)cn1 ZINC001164761201 721215294 /nfs/dbraw/zinc/21/52/94/721215294.db2.gz ADYLYNFPOFZKAW-OALUTQOASA-N 1 0 392.482 2.975 20 0 GFADRO Cc1ccc(Cl)c(N2CC[C@@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)n1 ZINC001164887157 721393835 /nfs/dbraw/zinc/39/38/35/721393835.db2.gz HFMHJGPWAIHPMD-FXAWDEMLSA-N 1 0 378.948 2.809 20 0 GFADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4nccc(C(C)(C)C)n4)C3)O2)CC1 ZINC001164892604 721404070 /nfs/dbraw/zinc/40/40/70/721404070.db2.gz YYWKJKARRNJKPR-XMSQKQJNSA-N 1 0 387.572 2.540 20 0 GFADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4cnc5ccc(F)cc5n4)C3)O2)CC1 ZINC001164886507 721405135 /nfs/dbraw/zinc/40/51/35/721405135.db2.gz JHGDMAYQXOBRTE-PGRDOPGGSA-N 1 0 399.514 2.534 20 0 GFADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4cc(Cl)ncc4F)C3)O2)CC1 ZINC001164884615 721407695 /nfs/dbraw/zinc/40/76/95/721407695.db2.gz FEWGKWOVLMCHKR-DNVCBOLYSA-N 1 0 382.911 2.640 20 0 GFADRO COc1ccc(Cl)c(N2CC[C@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)n1 ZINC001164890434 721413000 /nfs/dbraw/zinc/41/30/00/721413000.db2.gz SPJRVIUYSOHOMM-UZLBHIALSA-N 1 0 394.947 2.509 20 0 GFADRO CSc1cccnc1N1CC[C@]2(C1)CCC[C@@H](C[NH+]1CCN(C)CC1)O2 ZINC001164892953 721418219 /nfs/dbraw/zinc/41/82/19/721418219.db2.gz ZKDURNCQUVFWFX-PXNSSMCTSA-N 1 0 376.570 2.569 20 0 GFADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4ncc5cc(F)ccc5n4)C3)O2)CC1 ZINC001164893791 721426140 /nfs/dbraw/zinc/42/61/40/721426140.db2.gz KLETXTOVGBCCQR-UGKGYDQZSA-N 1 0 399.514 2.534 20 0 GFADRO CSCc1ccnc(N2CC[C@@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)c1 ZINC001164899530 721445108 /nfs/dbraw/zinc/44/51/08/721445108.db2.gz YXSFCEOAHXLTLX-PZJWPPBQSA-N 1 0 390.597 2.710 20 0 GFADRO CC(C)C(=O)N1CC[C@@H]2CN(c3cccc(OCC[NH+]4CCCC4)n3)CC[C@H]21 ZINC001164891673 721464916 /nfs/dbraw/zinc/46/49/16/721464916.db2.gz NGPZBLHJTVJFFI-RTBURBONSA-N 1 0 386.540 2.639 20 0 GFADRO CCOC(=O)c1ccc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)nc1 ZINC001164898185 721510875 /nfs/dbraw/zinc/51/08/75/721510875.db2.gz IEVYCDJWSHXYEL-HKUYNNGSSA-N 1 0 385.439 2.739 20 0 GFADRO Cc1nc2nc(N3CCC(F)(F)[C@@]4(CC[N@H+](Cc5ccccn5)C4)C3)ncc2[nH]1 ZINC001164906643 721716529 /nfs/dbraw/zinc/71/65/29/721716529.db2.gz NMUVIZHULOBARA-LJQANCHMSA-N 1 0 399.449 2.746 20 0 GFADRO CCc1c(Cl)nnc(N2CCCC23CC[NH+](CC(=O)N(C)C)CC3)c1CC ZINC001165011923 721738589 /nfs/dbraw/zinc/73/85/89/721738589.db2.gz XSDLUZYSCNKNHU-UHFFFAOYSA-N 1 0 393.963 2.778 20 0 GFADRO c1cncc(O[C@@H]2CO[C@@]3(CCN(c4ccc(C[NH+]5CCCC5)cn4)C3)C2)c1 ZINC001164917702 721806960 /nfs/dbraw/zinc/80/69/60/721806960.db2.gz XHQMJXFWDHXFAH-UNMCSNQZSA-N 1 0 380.492 2.889 20 0 GFADRO COCc1nc(OC)cc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)n1 ZINC001165021532 721830590 /nfs/dbraw/zinc/83/05/90/721830590.db2.gz FYPJLEQSRSTXPS-QXAKKESOSA-N 1 0 397.523 2.764 20 0 GFADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2ccc(F)c[n+]2[O-])CC1 ZINC001165019252 721839491 /nfs/dbraw/zinc/83/94/91/721839491.db2.gz BNPBHBUVXUABNC-UHFFFAOYSA-N 1 0 375.444 2.577 20 0 GFADRO C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2c1nc(Cl)ccc1CN1CCCC1 ZINC001164924304 721867619 /nfs/dbraw/zinc/86/76/19/721867619.db2.gz KSJZEPGZKUPEBQ-QZTJIDSGSA-N 1 0 377.964 2.545 20 0 GFADRO C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2c1nccc(SCc2ccccc2)n1 ZINC001164934357 721886266 /nfs/dbraw/zinc/88/62/66/721886266.db2.gz QRTMAOUBCXWFMQ-MOPGFXCFSA-N 1 0 383.565 2.984 20 0 GFADRO COc1ccc(Oc2cc(N3CC[C@@H]4[C@@H]3CCN4CC[NH+](C)C)nc(C)n2)cc1 ZINC001164935470 721886720 /nfs/dbraw/zinc/88/67/20/721886720.db2.gz WXNYPGKSIUUTNJ-UXHICEINSA-N 1 0 397.523 2.801 20 0 GFADRO O=C(C[C@@H]1OC[C@@H]2CN(c3ccc(C[NH+]4CCCC4)cn3)CC[C@@H]12)NC1CCC1 ZINC001164936057 721897074 /nfs/dbraw/zinc/89/70/74/721897074.db2.gz XPZBMULELLKRMA-TYPHKJRUSA-N 1 0 398.551 2.578 20 0 GFADRO COc1cc(N2CCC3(CC2)C[N@H+](Cc2ccc(C)cc2)CCO3)nc(C)n1 ZINC001164939361 721926109 /nfs/dbraw/zinc/92/61/09/721926109.db2.gz JZIYXAZWAIQVFY-UHFFFAOYSA-N 1 0 382.508 2.973 20 0 GFADRO Cc1nc2nc(N3CCC4(CC3)C[N@H+](Cc3ccc(C)cc3)CCO4)ncc2[nH]1 ZINC001164938694 721928757 /nfs/dbraw/zinc/92/87/57/721928757.db2.gz DSTBLWZNHSEGDH-UHFFFAOYSA-N 1 0 392.507 2.793 20 0 GFADRO Fc1c[nH]c2nc(Cl)nc(N3CC[NH+](CCOc4ccccc4)CC3)c12 ZINC001165041840 721952191 /nfs/dbraw/zinc/95/21/91/721952191.db2.gz AAMXRNLWPNUTRL-UHFFFAOYSA-N 1 0 375.835 2.951 20 0 GFADRO CC(C)c1nc(N(C)C)nc(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)n1 ZINC001164956042 722019448 /nfs/dbraw/zinc/01/94/48/722019448.db2.gz UXSODACUAIMLBI-UHFFFAOYSA-N 1 0 395.555 2.949 20 0 GFADRO c1cc(C[N@@H+]2CCOCC3(CCN(c4ncc(C5CC5)cn4)CC3)C2)ccn1 ZINC001164964201 722056361 /nfs/dbraw/zinc/05/63/61/722056361.db2.gz SZHVRKDIFHFOSS-UHFFFAOYSA-N 1 0 379.508 2.868 20 0 GFADRO O=C(c1cscn1)N1CC[C@H]2[C@H]1CCN2c1ccc(C[NH+]2CCCC2)cn1 ZINC001164966031 722065142 /nfs/dbraw/zinc/06/51/42/722065142.db2.gz NNWBPQIUXBAQDR-ZWKOTPCHSA-N 1 0 383.521 2.627 20 0 GFADRO COc1ccc(Cl)c(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164983736 722119661 /nfs/dbraw/zinc/11/96/61/722119661.db2.gz ZPDRPHRPRVCGCA-FUHWJXTLSA-N 1 0 388.899 2.866 20 0 GFADRO Cc1nc(Cl)c(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)nc1C ZINC001164981980 722120062 /nfs/dbraw/zinc/12/00/62/722120062.db2.gz VLGYLOHFMVKJQE-MSOLQXFVSA-N 1 0 387.915 2.869 20 0 GFADRO Fc1cnc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c2[nH]ccc21 ZINC001164985496 722134237 /nfs/dbraw/zinc/13/42/37/722134237.db2.gz ZQCZXJUQRRZHRH-VQIMIIECSA-N 1 0 381.455 2.824 20 0 GFADRO Fc1cnc2ccc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)nc2c1 ZINC001164977994 722135898 /nfs/dbraw/zinc/13/58/98/722135898.db2.gz JBYFIFZFXWOKQM-UWJYYQICSA-N 1 0 393.466 2.891 20 0 GFADRO COc1ccnc(Cl)c1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164982079 722151406 /nfs/dbraw/zinc/15/14/06/722151406.db2.gz QXOVAIGSUNHWHA-WMZOPIPTSA-N 1 0 388.899 2.866 20 0 GFADRO CN1CC(=O)N(c2cccc(F)c2)C[C@]12CCN(c1cc3[nH]ccc3c[nH+]1)C2 ZINC001165004254 722261321 /nfs/dbraw/zinc/26/13/21/722261321.db2.gz PSRUATOVONYNEL-OAQYLSRUSA-N 1 0 379.439 2.630 20 0 GFADRO Brc1ccc(NCCCC[NH+]2CCN(c3ncccn3)CC2)nc1 ZINC000514188771 532780358 /nfs/dbraw/zinc/78/03/58/532780358.db2.gz CAKDAEYBUYOYPN-UHFFFAOYSA-N 1 0 391.317 2.648 20 0 GFADRO Cc1nn(C(C)(C)C)c(C)c1C[NH2+]C[C@H]1CCCN(c2nccn3cnnc23)C1 ZINC000359992333 209211171 /nfs/dbraw/zinc/21/11/71/209211171.db2.gz HEQSHFZBXUNXJM-QGZVFWFLSA-N 1 0 396.543 2.699 20 0 GFADRO CC(C)CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1CCC(C[NH+](C)C)CC1 ZINC000359960214 209208012 /nfs/dbraw/zinc/20/80/12/209208012.db2.gz YVAPRTJMCDDUDX-OAQYLSRUSA-N 1 0 385.552 2.786 20 0 GFADRO C[C@H](NC(=O)c1ccco1)C(=O)N(Cc1ccccc1F)C1CC[NH+](C)CC1 ZINC000359904385 209201696 /nfs/dbraw/zinc/20/16/96/209201696.db2.gz JDCYVOWHNJAGEJ-HNNXBMFYSA-N 1 0 387.455 2.660 20 0 GFADRO C[C@@H](CNC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1)C[NH+]1CCCC1 ZINC000047920021 209195971 /nfs/dbraw/zinc/19/59/71/209195971.db2.gz CTHHKTQMJRPSSP-INIZCTEOSA-N 1 0 375.488 2.526 20 0 GFADRO COC(=O)CSc1nc2ccccc2c(=O)n1CC[NH+](C(C)C)C(C)C ZINC000005878403 212066573 /nfs/dbraw/zinc/06/65/73/212066573.db2.gz KWOPKFVHUMFULB-UHFFFAOYSA-N 1 0 377.510 2.780 20 0 GFADRO CC1(C)C[C@H](O)CCN(CCS(=O)(=O)c2ccc(Br)cc2)C1 ZINC000395496421 563530622 /nfs/dbraw/zinc/53/06/22/563530622.db2.gz INZFTAISDNOWFC-CQSZACIVSA-N 1 0 390.343 2.706 20 0 GFADRO C[N@@H+]1CCCN(C(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000097213282 211361700 /nfs/dbraw/zinc/36/17/00/211361700.db2.gz FNWDQQCESXJVOR-INIZCTEOSA-N 1 0 384.307 2.762 20 0 GFADRO [NH3+][C@@H]1CCCN(CC(=O)Nc2ccc(Br)c(C(F)(F)F)c2)C1 ZINC000430637918 563546842 /nfs/dbraw/zinc/54/68/42/563546842.db2.gz DPFIUFWPIIIRLU-SECBINFHSA-N 1 0 380.208 2.830 20 0 GFADRO CN(C)CC[N@H+](C)CCCNC(=O)Nc1ccc(F)cc1Br ZINC000436504670 563672469 /nfs/dbraw/zinc/67/24/69/563672469.db2.gz PUEHWAADESRWSR-UHFFFAOYSA-N 1 0 375.286 2.593 20 0 GFADRO CC[N@@H+](Cc1ccccc1Br)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000439323030 563722773 /nfs/dbraw/zinc/72/27/73/563722773.db2.gz QUVVTRIHSBACMT-AWEZNQCLSA-N 1 0 389.359 2.943 20 0 GFADRO COc1ccc([C@H](C)[NH2+]CC(=O)NC(=O)NC(C)(C)C)cc1Br ZINC000007879397 551101923 /nfs/dbraw/zinc/10/19/23/551101923.db2.gz KIMBEYFFRHYRBJ-JTQLQIEISA-N 1 0 386.290 2.733 20 0 GFADRO O=c1n2ccccc2nn1CC[N@@H+](Cc1cccc(Br)c1)C1CC1 ZINC000026446938 551121261 /nfs/dbraw/zinc/12/12/61/551121261.db2.gz LUXKVVYGRLQTIB-UHFFFAOYSA-N 1 0 387.281 2.923 20 0 GFADRO CC(C)C[N@H+](CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1)C(C)C ZINC000029724087 551127127 /nfs/dbraw/zinc/12/71/27/551127127.db2.gz QHBGYYJJZKPKQX-UHFFFAOYSA-N 1 0 389.949 2.895 20 0 GFADRO CSc1ncc(Cl)c(C(=O)NCC2([NH+]3CCSCC3)CCCC2)n1 ZINC000031958549 551131470 /nfs/dbraw/zinc/13/14/70/551131470.db2.gz KODSGDMSJOCPKF-UHFFFAOYSA-N 1 0 386.974 2.943 20 0 GFADRO O=C(NCC1([NH+]2CCSCC2)CCCC1)C(=O)Nc1ccccc1Cl ZINC000041965128 551137285 /nfs/dbraw/zinc/13/72/85/551137285.db2.gz ILENOZSBWPEBEU-UHFFFAOYSA-N 1 0 381.929 2.756 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)NC[C@H]1CCN(CC(F)(F)F)C1)c1ccsc1 ZINC000046346151 551150042 /nfs/dbraw/zinc/15/00/42/551150042.db2.gz JBVJXNCVFXBKLV-OCCSQVGLSA-N 1 0 378.464 2.534 20 0 GFADRO C[NH+]1CCC(NC(=O)c2cc(Cl)ccc2I)CC1 ZINC000047773649 551153773 /nfs/dbraw/zinc/15/37/73/551153773.db2.gz PVTJVLXCSPXJBS-UHFFFAOYSA-N 1 0 378.641 2.769 20 0 GFADRO C[NH+](C)CCN1CCN(C(=O)CCCCc2ccc(Br)cc2)CC1 ZINC000049611880 551158915 /nfs/dbraw/zinc/15/89/15/551158915.db2.gz RDNYXIAQABSRTA-UHFFFAOYSA-N 1 0 396.373 2.868 20 0 GFADRO C[C@@H]1CCC[N@H+](CCNS(=O)(=O)c2ccc(F)cc2Br)C1 ZINC000055241010 551171625 /nfs/dbraw/zinc/17/16/25/551171625.db2.gz CFEDORKRWGBEGK-LLVKDONJSA-N 1 0 379.295 2.598 20 0 GFADRO CC[NH+]1CCN(c2ccc(CNC(=O)c3coc(Br)c3)cn2)CC1 ZINC000057678697 551181284 /nfs/dbraw/zinc/18/12/84/551181284.db2.gz TUZPCCMIHKIXLH-UHFFFAOYSA-N 1 0 393.285 2.509 20 0 GFADRO O=C(NC1CC[NH+](C[C@H](O)COCc2cccs2)CC1)c1ccsc1 ZINC000067460531 551188957 /nfs/dbraw/zinc/18/89/57/551188957.db2.gz OOOZRJZLUXFMPK-INIZCTEOSA-N 1 0 380.535 2.582 20 0 GFADRO COc1cc(C[NH2+]C[C@H]2CCCO2)cc(I)c1OC ZINC000068840063 551193519 /nfs/dbraw/zinc/19/35/19/551193519.db2.gz FVJNYAPKGWLCSI-LLVKDONJSA-N 1 0 377.222 2.577 20 0 GFADRO CC[N@@H+]1CCCC[C@H]1C(=O)NCCCNC(=O)c1cccc(Br)c1 ZINC000104363329 551198542 /nfs/dbraw/zinc/19/85/42/551198542.db2.gz IJCRTFVEVIVQLR-INIZCTEOSA-N 1 0 396.329 2.560 20 0 GFADRO C[C@@H]1C[N@@H+](C2CCN(C(=O)NCc3ccc(Br)cc3)CC2)CCO1 ZINC000106578054 551200671 /nfs/dbraw/zinc/20/06/71/551200671.db2.gz POQQGENMVHRLDR-CQSZACIVSA-N 1 0 396.329 2.844 20 0 GFADRO CC[N@H+](CCNC(=O)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1)C(C)C ZINC000110421528 551204604 /nfs/dbraw/zinc/20/46/04/551204604.db2.gz DBYYYZHILBLTJU-CQSZACIVSA-N 1 0 396.329 2.649 20 0 GFADRO O=C(CN1CCC[C@H](C[NH+]2CCOCC2)C1)Nc1ccc(Cl)c(Cl)c1 ZINC000112201556 551204921 /nfs/dbraw/zinc/20/49/21/551204921.db2.gz ATPCSEBUGBOLDI-CQSZACIVSA-N 1 0 386.323 2.976 20 0 GFADRO O=C(CN1CCC[C@H](C[NH+]2CCOCC2)C1)Nc1ccc(Cl)cc1Cl ZINC000112201581 551205076 /nfs/dbraw/zinc/20/50/76/551205076.db2.gz OKCXOUIJMWXBPM-CQSZACIVSA-N 1 0 386.323 2.976 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1cc(=O)c2cc(Br)ccc2[nH]1 ZINC000112629666 551206081 /nfs/dbraw/zinc/20/60/81/551206081.db2.gz AJLZUBNOGIKDBN-GFCCVEGCSA-N 1 0 392.297 2.895 20 0 GFADRO C[C@@H]1[C@H](C)SCCN1CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000112645182 551206580 /nfs/dbraw/zinc/20/65/80/551206580.db2.gz CZQKMANRVFHAKB-CVEARBPZSA-N 1 0 379.595 3.000 20 0 GFADRO CN(C)CC[NH+]1CCC(CNC(=O)COc2cc(Cl)ccc2Cl)CC1 ZINC000114142676 551209380 /nfs/dbraw/zinc/20/93/80/551209380.db2.gz JCKXNKHJAWIYEJ-UHFFFAOYSA-N 1 0 388.339 2.762 20 0 GFADRO COc1ccc(C[N@@H+]2CCC[C@H](Cn3ccnn3)C2)c(Br)c1OC ZINC000119475871 551216623 /nfs/dbraw/zinc/21/66/23/551216623.db2.gz WLGAPOANEDTTIM-ZDUSSCGKSA-N 1 0 395.301 2.970 20 0 GFADRO C[C@@H]1C[N@@H+](CCCCNC(=O)c2nc(Br)cs2)C[C@H](C)O1 ZINC000119486701 551216799 /nfs/dbraw/zinc/21/67/99/551216799.db2.gz NPFHVOHDRANSDR-PHIMTYICSA-N 1 0 376.320 2.525 20 0 GFADRO O=C(c1ccncc1I)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000119999735 551218768 /nfs/dbraw/zinc/21/87/68/551218768.db2.gz WHHKVBQUKHWAAD-CYBMUJFWSA-N 1 0 399.276 2.634 20 0 GFADRO C[C@H]([NH2+]C[C@@H](c1cccs1)N(C)C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000121129972 551227943 /nfs/dbraw/zinc/22/79/43/551227943.db2.gz UCMDGQSYRZKUHJ-YOEHRIQHSA-N 1 0 381.567 2.952 20 0 GFADRO C[C@H]([NH2+]C[C@H](c1cccs1)N(C)C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000121130346 551228056 /nfs/dbraw/zinc/22/80/56/551228056.db2.gz UCMDGQSYRZKUHJ-WMLDXEAASA-N 1 0 381.567 2.952 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CN1CCCN(C(=O)C2CC2)CC1 ZINC000121574159 551237335 /nfs/dbraw/zinc/23/73/35/551237335.db2.gz BYOIXKNOBLIOSF-UHFFFAOYSA-N 1 0 394.313 2.640 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)c1ccc(-n2cc(Br)cn2)cc1 ZINC000121834839 551243990 /nfs/dbraw/zinc/24/39/90/551243990.db2.gz GUVJIFCBZHFGDG-BLLLJJGKSA-N 1 0 377.286 2.977 20 0 GFADRO NC(=O)[C@H](c1ccc(Br)cc1F)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000121868124 551244194 /nfs/dbraw/zinc/24/41/94/551244194.db2.gz PTPJLWUDGQXKOZ-WBMJQRKESA-N 1 0 384.293 2.532 20 0 GFADRO C[NH+](C)CCn1ccc(NC(=O)CCc2cc(Br)ccc2F)n1 ZINC000121863572 551244237 /nfs/dbraw/zinc/24/42/37/551244237.db2.gz LPNPBGWEQIYLOO-UHFFFAOYSA-N 1 0 383.265 2.918 20 0 GFADRO C[C@@H](CNC(=O)c1ccc(Br)cc1Cl)C[NH+]1CCN(C)CC1 ZINC000121854369 551244439 /nfs/dbraw/zinc/24/44/39/551244439.db2.gz HNTNYTLXVFWEKZ-LBPRGKRZSA-N 1 0 388.737 2.716 20 0 GFADRO CSc1ccc(NC(=O)C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)cc1Cl ZINC000122212611 551295837 /nfs/dbraw/zinc/29/58/37/551295837.db2.gz JVGBBIYHRZBRND-DOMZBBRYSA-N 1 0 381.929 2.943 20 0 GFADRO C[N@@H+]1CCC[C@@H]2CN(S(=O)(=O)Cc3ccccc3C(F)(F)F)CC[C@@H]21 ZINC000122396238 551297602 /nfs/dbraw/zinc/29/76/02/551297602.db2.gz PWNFDVRJZYFFLE-CJNGLKHVSA-N 1 0 376.444 2.951 20 0 GFADRO C[C@H]1C[C@@H](N(C)C(=O)Cc2cc3c(cc2Br)OCCO3)CC[N@@H+]1C ZINC000123110644 551302906 /nfs/dbraw/zinc/30/29/06/551302906.db2.gz PQIYLXLJPWQNIG-JSGCOSHPSA-N 1 0 397.313 2.704 20 0 GFADRO CCSc1cc(Cl)ccc1C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000123133261 551303745 /nfs/dbraw/zinc/30/37/45/551303745.db2.gz LECDODZEGGIGLB-ZDUSSCGKSA-N 1 0 383.945 2.769 20 0 GFADRO CC(C)(C)CC[NH+]1CCN(C(=O)CCn2cc(Br)ccc2=O)CC1 ZINC000124205484 551311920 /nfs/dbraw/zinc/31/19/20/551311920.db2.gz XNVIMJIVVUXTGN-UHFFFAOYSA-N 1 0 398.345 2.581 20 0 GFADRO COc1cccc([C@@H](CNC(=O)c2ccncc2Br)[NH+](C)C)c1 ZINC000124586070 551315798 /nfs/dbraw/zinc/31/57/98/551315798.db2.gz KQRZUUXRZQMIDM-MRXNPFEDSA-N 1 0 378.270 2.885 20 0 GFADRO COc1cc(Br)c(S(=O)(=O)N[C@H]2CCC[C@H]([NH3+])C2)cc1Cl ZINC000124908213 551319192 /nfs/dbraw/zinc/31/91/92/551319192.db2.gz SLQNNCUFESEZAN-IUCAKERBSA-N 1 0 397.722 2.659 20 0 GFADRO COC[C@@H](O)C[NH2+]Cc1cn(-c2ccc(Br)cc2)nc1C(C)C ZINC000125661541 551322527 /nfs/dbraw/zinc/32/25/27/551322527.db2.gz AMSJATLXWOCKAT-INIZCTEOSA-N 1 0 382.302 2.855 20 0 GFADRO C[C@@H](CNC(=O)c1ccc(Cl)c(C(F)(F)F)c1)C[NH+]1CCN(C)CC1 ZINC000126751132 551332498 /nfs/dbraw/zinc/33/24/98/551332498.db2.gz NYEYGLKJJDAPBS-LBPRGKRZSA-N 1 0 377.838 2.972 20 0 GFADRO COCCN(c1ccncc1)S(=O)(=O)c1cc(Br)ccc1F ZINC000127474535 551340885 /nfs/dbraw/zinc/34/08/85/551340885.db2.gz FNECZTNGHFBWBG-UHFFFAOYSA-N 1 0 389.246 2.825 20 0 GFADRO Cc1cc(Br)cc(C(=O)N2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)c1 ZINC000127505801 551341591 /nfs/dbraw/zinc/34/15/91/551341591.db2.gz VGVGJRAMYORRGH-SFHVURJKSA-N 1 0 394.357 3.000 20 0 GFADRO C[NH+](C)CCNC(=O)c1cccc(NC(=O)c2ccc(Br)o2)c1 ZINC000128336127 551349140 /nfs/dbraw/zinc/34/91/40/551349140.db2.gz QMFLSUNDMMUGBY-UHFFFAOYSA-N 1 0 380.242 2.586 20 0 GFADRO [NH3+][C@@H]1CCCC[C@H]1NC(=O)CCC[S@@](=O)c1ccc(Br)cc1 ZINC000128813067 551352749 /nfs/dbraw/zinc/35/27/49/551352749.db2.gz FASURGAQCONKHR-HLFMIMNKSA-N 1 0 387.343 2.723 20 0 GFADRO C[C@H](C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)N1CCSCC1 ZINC000130727925 551368906 /nfs/dbraw/zinc/36/89/06/551368906.db2.gz WKQHLJUHPFYYKG-OAHLLOKOSA-N 1 0 381.973 2.858 20 0 GFADRO COCC[N@H+](C)CCCNC(=O)Cc1c[nH]c2cc(Br)ccc12 ZINC000133168771 551382478 /nfs/dbraw/zinc/38/24/78/551382478.db2.gz VTZNUJGMRAJUOV-UHFFFAOYSA-N 1 0 382.302 2.557 20 0 GFADRO C[NH+](C)CCOc1cc(C(=O)NCCc2ccc(Br)s2)ccn1 ZINC000136658235 551390042 /nfs/dbraw/zinc/39/00/42/551390042.db2.gz CATRWDAQBBYYGX-UHFFFAOYSA-N 1 0 398.326 2.819 20 0 GFADRO C[N@@H+]1CCC[C@H]1CNC(=O)N1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000139804032 551392443 /nfs/dbraw/zinc/39/24/43/551392443.db2.gz YBTOEFNOTIBPTB-HOTGVXAUSA-N 1 0 382.302 2.626 20 0 GFADRO CN1CC[NH+](CC2CCN(C(=O)Nc3ccc(Br)cc3)CC2)CC1 ZINC000140683552 551393210 /nfs/dbraw/zinc/39/32/10/551393210.db2.gz KJESYUFECVUSCE-UHFFFAOYSA-N 1 0 395.345 2.940 20 0 GFADRO COCC[NH+]1CCC(NC(=O)C(C)(C)c2ccc(Br)cc2)CC1 ZINC000141398271 551394394 /nfs/dbraw/zinc/39/43/94/551394394.db2.gz QOWVDQFQXGATQX-UHFFFAOYSA-N 1 0 383.330 2.954 20 0 GFADRO Cc1cc(S(=O)(=O)NC2CC[NH+](C3CC3)CC2)sc1Br ZINC000149887569 551399609 /nfs/dbraw/zinc/39/96/09/551399609.db2.gz NHZCAXAQPZSAEA-UHFFFAOYSA-N 1 0 379.345 2.724 20 0 GFADRO CN(C(=O)CSc1nncn1-c1cccc(Cl)c1)[C@H]1CCC[N@H+](C)C1 ZINC000151104655 551407578 /nfs/dbraw/zinc/40/75/78/551407578.db2.gz GKQQSSVZJUPPAJ-HNNXBMFYSA-N 1 0 379.917 2.565 20 0 GFADRO C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CCSCCCO ZINC000151236982 551409494 /nfs/dbraw/zinc/40/94/94/551409494.db2.gz XEBCNIIXEIVTOD-LBPRGKRZSA-N 1 0 375.332 2.871 20 0 GFADRO COC1CC[NH+](CCNC(=O)c2cc(F)c(F)cc2Br)CC1 ZINC000151406498 551412746 /nfs/dbraw/zinc/41/27/46/551412746.db2.gz XINQOSBISKCLSN-UHFFFAOYSA-N 1 0 377.229 2.568 20 0 GFADRO Cc1nn(Cc2cccc(Br)c2)c(C)c1C(=O)NCC[NH2+]C1CC1 ZINC000151536705 551415885 /nfs/dbraw/zinc/41/58/85/551415885.db2.gz HLBXZJJWOCJNJN-UHFFFAOYSA-N 1 0 391.313 2.793 20 0 GFADRO O=S(=O)(c1ccc(F)cc1C(F)(F)F)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000151600073 551417535 /nfs/dbraw/zinc/41/75/35/551417535.db2.gz BIOUTHSIUHGGNP-GFCCVEGCSA-N 1 0 380.407 2.951 20 0 GFADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)NC2CCC(C[NH+](C)C)CC2)c1 ZINC000151720852 551420050 /nfs/dbraw/zinc/42/00/50/551420050.db2.gz BWEMVVCGPNZTHF-UHFFFAOYSA-N 1 0 388.917 2.525 20 0 GFADRO C[C@@H]1CN(C(=O)Nc2cc(F)c(I)c(F)c2)[C@H](C)C[NH2+]1 ZINC000415121649 563759316 /nfs/dbraw/zinc/75/93/16/563759316.db2.gz NCLMMMJVZACODP-HTQZYQBOSA-N 1 0 395.191 2.784 20 0 GFADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1c(F)cc(Br)cc1F ZINC000151961766 551424108 /nfs/dbraw/zinc/42/41/08/551424108.db2.gz HDGVTXOKSZWDML-LLVKDONJSA-N 1 0 377.229 2.568 20 0 GFADRO C[NH+](C)CCOc1cccc(CNC(=O)c2ccncc2Br)c1 ZINC000152005214 551424287 /nfs/dbraw/zinc/42/42/87/551424287.db2.gz DJIVKPLQGGZOLN-UHFFFAOYSA-N 1 0 378.270 2.715 20 0 GFADRO C[NH+](C)CCCOC1CCN(S(=O)(=O)c2cnc(Cl)c(Cl)c2)CC1 ZINC000152185452 551428111 /nfs/dbraw/zinc/42/81/11/551428111.db2.gz AEPOYVGJUWAVCX-UHFFFAOYSA-N 1 0 396.340 2.510 20 0 GFADRO CC1(C)CN(C(=O)c2cc(I)ccc2Cl)CC[NH2+]1 ZINC000152252507 551428952 /nfs/dbraw/zinc/42/89/52/551428952.db2.gz GHLSATBRXDKZRD-UHFFFAOYSA-N 1 0 378.641 2.769 20 0 GFADRO C[NH2+]CC1CCN(C(=O)[C@@H]2CC(=O)N(c3cc(Cl)cc(Cl)c3)C2)CC1 ZINC000152320559 551430663 /nfs/dbraw/zinc/43/06/63/551430663.db2.gz CKVUDFUMIBESIV-CYBMUJFWSA-N 1 0 384.307 2.804 20 0 GFADRO CN(CC(=O)N(C)Cc1cc(Br)cs1)C[C@@H]1CCC[N@H+](C)C1 ZINC000152453174 551433109 /nfs/dbraw/zinc/43/31/09/551433109.db2.gz OVGCQXXJCJDJMT-CYBMUJFWSA-N 1 0 388.375 2.743 20 0 GFADRO COCCC[N@H+](C)CCNC(=O)[C@H](C)Oc1ccc(C)cc1Br ZINC000152445847 551433224 /nfs/dbraw/zinc/43/32/24/551433224.db2.gz JWQJRBNEUJJFTB-AWEZNQCLSA-N 1 0 387.318 2.609 20 0 GFADRO [NH3+]Cc1ccc(C(=O)N2CCN(C(=O)c3c(Cl)cccc3Cl)CC2)o1 ZINC000152586755 551435815 /nfs/dbraw/zinc/43/58/15/551435815.db2.gz UEGCTHSUWFXTAK-UHFFFAOYSA-N 1 0 382.247 2.643 20 0 GFADRO O=C(C[NH2+]C[C@H]1CCCO1)NCC1(c2ccc(Br)cc2)CCC1 ZINC000152679795 551438064 /nfs/dbraw/zinc/43/80/64/551438064.db2.gz FPXHBSPQZCCVBE-MRXNPFEDSA-N 1 0 381.314 2.756 20 0 GFADRO CC[NH+](CC)[C@H]1CCN(C(=O)Cc2ccccc2I)C1 ZINC000153329624 551450547 /nfs/dbraw/zinc/45/05/47/551450547.db2.gz INIDYLHXNAMYEK-AWEZNQCLSA-N 1 0 386.277 2.776 20 0 GFADRO C[NH+](C)C[C@](C)(O)CNC(=O)CCCSc1ccc(Br)cc1 ZINC000153338150 551450679 /nfs/dbraw/zinc/45/06/79/551450679.db2.gz BAFBVIWBWYTGNK-MRXNPFEDSA-N 1 0 389.359 2.750 20 0 GFADRO C[C@H](CNC(=O)NC[C@](C)(O)c1cccs1)N1CCc2sccc2C1 ZINC000153618036 551457061 /nfs/dbraw/zinc/45/70/61/551457061.db2.gz DGQPNPMUWZYWGJ-ACJLOTCBSA-N 1 0 379.551 2.763 20 0 GFADRO CN(C(=O)c1nn(-c2ccc(F)cc2)cc1Br)[C@H]1CCC[N@H+](C)C1 ZINC000153682525 551458015 /nfs/dbraw/zinc/45/80/15/551458015.db2.gz DYXREZKLTFQODC-AWEZNQCLSA-N 1 0 395.276 2.940 20 0 GFADRO C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1ccnc(-c2ccc(Br)cc2)n1 ZINC000153984331 551464624 /nfs/dbraw/zinc/46/46/24/551464624.db2.gz SUCYKKRJBVMRSU-JSGCOSHPSA-N 1 0 389.297 2.992 20 0 GFADRO Cc1cc(C(=O)N2C[C@H](C)[NH2+][C@@H](C)C2)nn1-c1ccc(Br)cc1 ZINC000153987909 551464963 /nfs/dbraw/zinc/46/49/63/551464963.db2.gz AOSXVAHFEFRUAE-RYUDHWBXSA-N 1 0 377.286 2.766 20 0 GFADRO Cc1sc(C(=O)NCCCCC[NH+]2CCCCC2)cc1CS(C)(=O)=O ZINC000154616716 551479300 /nfs/dbraw/zinc/47/93/00/551479300.db2.gz VIDYIEUVDGSQOQ-UHFFFAOYSA-N 1 0 386.583 2.987 20 0 GFADRO CC[NH+](CC)[C@@H](CNS(=O)(=O)c1sccc1OC)Cc1ccccc1 ZINC000154834676 551483783 /nfs/dbraw/zinc/48/37/83/551483783.db2.gz WHYAXDJHUOBWJG-MRXNPFEDSA-N 1 0 382.551 2.988 20 0 GFADRO CCN(CC)S(=O)(=O)CC[NH2+][C@@H]1CCc2ccc(OC(F)(F)F)cc21 ZINC000154839971 551484100 /nfs/dbraw/zinc/48/41/00/551484100.db2.gz JMYXLGIBMLYBEZ-OAHLLOKOSA-N 1 0 380.432 2.834 20 0 GFADRO CC[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2cc(Br)sc2C)C1 ZINC000155015113 551488864 /nfs/dbraw/zinc/48/88/64/551488864.db2.gz PMXPGSXICHASNO-NSHDSACASA-N 1 0 381.361 2.829 20 0 GFADRO C[C@@H](NC(=O)c1ccc(Br)cc1)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000155064454 551490310 /nfs/dbraw/zinc/49/03/10/551490310.db2.gz CPQJLAZSRRRFEJ-CHWSQXEVSA-N 1 0 398.345 2.660 20 0 GFADRO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)c1ccncc1Br ZINC000155188562 551493903 /nfs/dbraw/zinc/49/39/03/551493903.db2.gz GPBJRROAGUSKCD-GUYCJALGSA-N 1 0 389.297 2.880 20 0 GFADRO C[NH+](C)CCn1cc(NC(=O)c2c[nH]c3cccc(Br)c23)cn1 ZINC000155291925 551496712 /nfs/dbraw/zinc/49/67/12/551496712.db2.gz WUGXCGZXLOJEBM-UHFFFAOYSA-N 1 0 376.258 2.941 20 0 GFADRO CC(C)OC[C@H](O)C[NH+]1CCC(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000155447992 551499745 /nfs/dbraw/zinc/49/97/45/551499745.db2.gz SFBRHTGWFPQVHO-QGZVFWFLSA-N 1 0 399.329 2.886 20 0 GFADRO CC[C@@H](C)[C@H]([NH3+])C(=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000155601443 551503326 /nfs/dbraw/zinc/50/33/26/551503326.db2.gz LTXZCLBSZZEHHV-MFKMUULPSA-N 1 0 378.826 2.776 20 0 GFADRO C[N@@H+](CC(=O)Nc1cccc(I)c1)CC1CCOCC1 ZINC000155851623 551509159 /nfs/dbraw/zinc/50/91/59/551509159.db2.gz JQEMIZANCSDVJJ-UHFFFAOYSA-N 1 0 388.249 2.588 20 0 GFADRO O=C1CNC(=O)N1CC[NH+]1CCC(OCc2ccc(Cl)c(Cl)c2)CC1 ZINC000156019055 551512728 /nfs/dbraw/zinc/51/27/28/551512728.db2.gz GBQVIMBYUGCKEK-UHFFFAOYSA-N 1 0 386.279 2.526 20 0 GFADRO C[C@H](C[NH+]1CCCCC1)NC(=O)c1cc(=O)[nH]c2ccc(Br)cc21 ZINC000156033132 551513060 /nfs/dbraw/zinc/51/30/60/551513060.db2.gz UGQXQECMBFLPNS-GFCCVEGCSA-N 1 0 392.297 2.895 20 0 GFADRO Cn1cc(NC(=O)NCCC[N@H+](C)C2CCCCC2)cc(Br)c1=O ZINC000156077489 551514028 /nfs/dbraw/zinc/51/40/28/551514028.db2.gz HYYBCALGILCOQY-UHFFFAOYSA-N 1 0 399.333 2.924 20 0 GFADRO C[NH+]1CCC(CCNC(=O)c2cc(Br)c3c(c2)OCCO3)CC1 ZINC000156446837 551522729 /nfs/dbraw/zinc/52/27/29/551522729.db2.gz AEJNLOXCOPYBKV-UHFFFAOYSA-N 1 0 383.286 2.682 20 0 GFADRO C[C@H]1CCCN(C(=O)c2cc(=O)[nH]c3ccc(Br)cc32)[C@H]1C[NH3+] ZINC000156783441 551527788 /nfs/dbraw/zinc/52/77/88/551527788.db2.gz PVNZIKXLALOQFV-BONVTDFDSA-N 1 0 378.270 2.902 20 0 GFADRO COC(=O)Cn1cc(CC[N@@H+]2CCC[C@@H]2c2ccccc2Br)nn1 ZINC000156775434 551528262 /nfs/dbraw/zinc/52/82/62/551528262.db2.gz DQNQQPNZJSBMER-MRXNPFEDSA-N 1 0 393.285 2.593 20 0 GFADRO COc1ccccc1COC[C@H](O)C[N@H+](C)Cc1cc(Br)cn1C ZINC000156900623 551529694 /nfs/dbraw/zinc/52/96/94/551529694.db2.gz GJBXMWZVVHRHAH-QGZVFWFLSA-N 1 0 397.313 2.806 20 0 GFADRO COc1cccc(COC[C@@H](O)C[N@H+](C)Cc2cc(Br)cn2C)c1 ZINC000156897241 551529944 /nfs/dbraw/zinc/52/99/44/551529944.db2.gz HACBTXWTIRPSKL-KRWDZBQOSA-N 1 0 397.313 2.806 20 0 GFADRO CCS(=O)(=O)N(C)CCC[NH2+][C@@H]1CCc2cc(Br)ccc21 ZINC000156881018 551530145 /nfs/dbraw/zinc/53/01/45/551530145.db2.gz RYQUUFYOCXUORX-OAHLLOKOSA-N 1 0 375.332 2.698 20 0 GFADRO C[NH+]1CCN(CCCNC(=O)c2ccc3cc(Br)ccc3c2)CC1 ZINC000157017321 551532158 /nfs/dbraw/zinc/53/21/58/551532158.db2.gz PSBLOTLFBHJBCX-UHFFFAOYSA-N 1 0 390.325 2.970 20 0 GFADRO O=C(CC[N@@H+](CCO)Cc1cccnc1)Nc1ccccc1Br ZINC000157050735 551532548 /nfs/dbraw/zinc/53/25/48/551532548.db2.gz OGOKXTOKDJWZIB-UHFFFAOYSA-N 1 0 378.270 2.667 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)c(C)c1C[N@@H+]1CC[C@@H](C(N)=O)C1 ZINC000157116956 551533838 /nfs/dbraw/zinc/53/38/38/551533838.db2.gz CJEBLHWHXYDPDI-CYBMUJFWSA-N 1 0 377.286 2.559 20 0 GFADRO CC(C)(COc1ncccc1Br)[NH2+]Cc1cnc2cnccn12 ZINC000157126717 551533903 /nfs/dbraw/zinc/53/39/03/551533903.db2.gz ITSOAKJZPSLRRL-UHFFFAOYSA-N 1 0 376.258 2.834 20 0 GFADRO CC[C@H](C)[N@H+](C)CCNS(=O)(=O)c1c2ccccc2sc1C(=O)OC ZINC000157255813 551535647 /nfs/dbraw/zinc/53/56/47/551535647.db2.gz RYUHDDDENWRAQH-LBPRGKRZSA-N 1 0 384.523 2.697 20 0 GFADRO Cc1cc(C(=O)N[C@@H](C)[C@@H]2CN(C)CCO2)c2cc(Br)ccc2n1 ZINC000157687781 551541567 /nfs/dbraw/zinc/54/15/67/551541567.db2.gz LJKUZFWPJJLQGH-SJCJKPOMSA-N 1 0 392.297 2.755 20 0 GFADRO [NH3+][C@@H]1CCCN(C(=O)c2ccc(NC(=O)c3ccc(Br)o3)cc2)C1 ZINC000157842726 551543413 /nfs/dbraw/zinc/54/34/13/551543413.db2.gz PYSMEFOOUNWINS-GFCCVEGCSA-N 1 0 392.253 2.858 20 0 GFADRO O[C@H](C[NH2+]C1(c2ccc(Br)cc2)CCC1)COC[C@@H]1CCCO1 ZINC000157827083 551543472 /nfs/dbraw/zinc/54/34/72/551543472.db2.gz RTPVYRQXBZJNIC-SJORKVTESA-N 1 0 384.314 2.974 20 0 GFADRO Cc1cc(C(=O)N[C@@H]2CCC[C@H]2C[NH3+])nn1-c1ccc(Br)cc1 ZINC000157948879 551545150 /nfs/dbraw/zinc/54/51/50/551545150.db2.gz DWYGIOQXGVPMQE-SWLSCSKDSA-N 1 0 377.286 2.800 20 0 GFADRO C[NH+]1CCC(NC(=O)Nc2ccnn2Cc2ccc(Br)cc2)CC1 ZINC000158277423 551549421 /nfs/dbraw/zinc/54/94/21/551549421.db2.gz QGLHCUDNFNJYMZ-UHFFFAOYSA-N 1 0 392.301 2.910 20 0 GFADRO CN(CC[NH2+]Cc1ccc(Br)s1)S(=O)(=O)c1cccs1 ZINC000158329703 551550629 /nfs/dbraw/zinc/55/06/29/551550629.db2.gz DBCXKASPRFROLD-UHFFFAOYSA-N 1 0 395.369 2.982 20 0 GFADRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)Nc2cc(Br)cn(C)c2=O)C1 ZINC000158526129 551553499 /nfs/dbraw/zinc/55/34/99/551553499.db2.gz MYNYIEDNVAUJMH-CYBMUJFWSA-N 1 0 399.333 2.637 20 0 GFADRO O=C(Nc1ccc(F)cc1I)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000415248307 563763601 /nfs/dbraw/zinc/76/36/01/563763601.db2.gz GMYSXMYYXGYREX-CABZTGNLSA-N 1 0 389.212 2.646 20 0 GFADRO COc1ccc(Cl)cc1NC(=O)CN1CCC([C@H](O)C(F)(F)F)CC1 ZINC000161574845 551596111 /nfs/dbraw/zinc/59/61/11/551596111.db2.gz GBDISLJWLGJJBG-HNNXBMFYSA-N 1 0 380.794 2.922 20 0 GFADRO c1csc(Cn2cccc2C[NH2+]C[C@]2(N3CCOCC3)CCSC2)c1 ZINC000161757857 551598303 /nfs/dbraw/zinc/59/83/03/551598303.db2.gz PJZONXSCJYFNAN-LJQANCHMSA-N 1 0 377.579 2.895 20 0 GFADRO Cc1ccc(C(=O)N2CCC(C[NH+]3CCOCC3)CC2)c(Br)c1 ZINC000162150851 551604369 /nfs/dbraw/zinc/60/43/69/551604369.db2.gz NSZYYEDFMOVWRX-UHFFFAOYSA-N 1 0 381.314 2.942 20 0 GFADRO O=S(=O)(Cc1ccon1)NCC[NH2+][C@@H]1CCSc2c(Cl)cccc21 ZINC000162420890 551607752 /nfs/dbraw/zinc/60/77/52/551607752.db2.gz DDDXMSXNLWSIRP-CQSZACIVSA-N 1 0 387.914 2.574 20 0 GFADRO C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+]C[C@@H]1CCN(CC(F)(F)F)C1 ZINC000163089116 551616099 /nfs/dbraw/zinc/61/60/99/551616099.db2.gz UPMSHQBHKZEPAH-NEPJUHHUSA-N 1 0 378.826 2.926 20 0 GFADRO COC(=O)c1ccc(CN2CC[NH+](CCCOCC(F)(F)F)CC2)s1 ZINC000163132634 551616639 /nfs/dbraw/zinc/61/66/39/551616639.db2.gz SYVSUNHFLYHZII-UHFFFAOYSA-N 1 0 380.432 2.621 20 0 GFADRO CNC(=O)[C@H](CC(C)C)[NH2+][C@@H](C)CC(=O)Nc1ccc(Br)cc1 ZINC000163740812 551621882 /nfs/dbraw/zinc/62/18/82/551621882.db2.gz HSUGYBVSGPMJDV-WFASDCNBSA-N 1 0 384.318 2.917 20 0 GFADRO Cn1cc(CCC[NH+]2CCN(Cc3ccc(Br)cc3)CC2)cn1 ZINC000163774744 551622062 /nfs/dbraw/zinc/62/20/62/551622062.db2.gz SVRRISOGTIIQDH-UHFFFAOYSA-N 1 0 377.330 2.933 20 0 GFADRO C[C@@H]([NH2+]CCN1CCN(c2ncccn2)CC1)c1ccccc1Br ZINC000164236247 551624754 /nfs/dbraw/zinc/62/47/54/551624754.db2.gz FVICUNADGYAHNF-OAHLLOKOSA-N 1 0 390.329 2.712 20 0 GFADRO C[C@H](Cn1cc(Br)cn1)[NH2+]CC1(CN2CCOCC2)CCCCC1 ZINC000164395497 551625266 /nfs/dbraw/zinc/62/52/66/551625266.db2.gz HGIAFGBHTSQCMB-MRXNPFEDSA-N 1 0 399.377 2.906 20 0 GFADRO CC[C@H]([NH2+][C@H](C)c1ccc(OC)c(Br)c1)C(=O)N1CCOCC1 ZINC000165017201 551628310 /nfs/dbraw/zinc/62/83/10/551628310.db2.gz AFXRYQRPFWMMBQ-DOMZBBRYSA-N 1 0 385.302 2.746 20 0 GFADRO C[C@@H](Cn1cc(Br)cn1)[NH2+]CCNC(=O)c1ccccc1Cl ZINC000165512883 551629448 /nfs/dbraw/zinc/62/94/48/551629448.db2.gz NOKKSRBCZSJZMZ-NSHDSACASA-N 1 0 385.693 2.707 20 0 GFADRO Cc1ccc(S(=O)(=O)N2CCC([NH2+]C[C@@H]3CSCCS3)CC2)cc1 ZINC000165740533 551629593 /nfs/dbraw/zinc/62/95/93/551629593.db2.gz DUAPIMNVRDHTKT-MRXNPFEDSA-N 1 0 386.608 2.586 20 0 GFADRO C[C@@H](CO[C@@H]1CCOC1)[NH2+][C@@H](C)CC(=O)Nc1ccc(Br)cc1 ZINC000166511708 551631911 /nfs/dbraw/zinc/63/19/11/551631911.db2.gz BJRHBEZPURHECO-HEHGZKQESA-N 1 0 385.302 2.950 20 0 GFADRO C[C@@H]1C[NH+](CC2CCN(C(=O)c3ccc(Br)cn3)CC2)C[C@@H](C)O1 ZINC000170763564 551639231 /nfs/dbraw/zinc/63/92/31/551639231.db2.gz GQRUZUPJVVRNPP-ZIAGYGMSSA-N 1 0 396.329 2.806 20 0 GFADRO CN(CC1CC[NH+](C)CC1)C(=O)Cc1cc2c(cc1Br)OCCO2 ZINC000170904532 551642973 /nfs/dbraw/zinc/64/29/73/551642973.db2.gz APKMWAVIQQJGEV-UHFFFAOYSA-N 1 0 397.313 2.563 20 0 GFADRO COCCOc1ccc(C[NH2+]CCS(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000170961281 551644093 /nfs/dbraw/zinc/64/40/93/551644093.db2.gz ONCLRSCFLUSYBB-UHFFFAOYSA-N 1 0 383.897 2.929 20 0 GFADRO Cc1c(Br)cccc1NC(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000171155469 551648558 /nfs/dbraw/zinc/64/85/58/551648558.db2.gz NMPLXMOCCSLIKD-UHFFFAOYSA-N 1 0 383.334 2.905 20 0 GFADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@H](C)c1ccc(Br)cc1 ZINC000171897919 551666093 /nfs/dbraw/zinc/66/60/93/551666093.db2.gz XUGUISNHMIOSBJ-CZUORRHYSA-N 1 0 384.318 2.920 20 0 GFADRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)Cc1cc2c(cc1Br)OCCO2 ZINC000172095701 551670293 /nfs/dbraw/zinc/67/02/93/551670293.db2.gz IFFAYFAXKKYKKG-ZDUSSCGKSA-N 1 0 397.313 2.563 20 0 GFADRO O=C(CC[N@@H+]1CCC[C@@H](C2OCCO2)C1)Nc1cccc(Br)c1 ZINC000172417146 551679092 /nfs/dbraw/zinc/67/90/92/551679092.db2.gz IZKOSSRDSMKGDB-CYBMUJFWSA-N 1 0 383.286 2.863 20 0 GFADRO NC(=O)[C@@H]1CCC[C@H]([NH2+]Cc2nc(-c3ccc(Br)cc3)c[nH]2)C1 ZINC000172634057 551683620 /nfs/dbraw/zinc/68/36/20/551683620.db2.gz FCXIYTCUTLOMTB-OCCSQVGLSA-N 1 0 377.286 2.973 20 0 GFADRO CC[NH+]1CCC(CCNC(=O)C(=O)Nc2ccc(C)c(Br)c2)CC1 ZINC000173197503 552079157 /nfs/dbraw/zinc/07/91/57/552079157.db2.gz ABMRIEQTMPTVDK-UHFFFAOYSA-N 1 0 396.329 2.934 20 0 GFADRO Cc1cc(Br)ccc1C(=O)N1CCCC[C@@H]([NH+]2CCN(C)CC2)C1 ZINC000173294065 552082041 /nfs/dbraw/zinc/08/20/41/552082041.db2.gz FWYXXMJLWYHSHD-QGZVFWFLSA-N 1 0 394.357 3.000 20 0 GFADRO O=C(c1ccc(F)c(Br)c1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000173540348 552087784 /nfs/dbraw/zinc/08/77/84/552087784.db2.gz ZSYRFSJIIGXQJG-UHFFFAOYSA-N 1 0 385.277 2.773 20 0 GFADRO CCC[N@H+](C)C[C@H]1CCN(C(=O)CNC(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000173816839 552092627 /nfs/dbraw/zinc/09/26/27/552092627.db2.gz KOORXICHZCMBJF-CYBMUJFWSA-N 1 0 386.323 2.914 20 0 GFADRO CC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2ccc(Br)c(F)c2)C1 ZINC000174028337 552096928 /nfs/dbraw/zinc/09/69/28/552096928.db2.gz VEHILKQCQRCNBS-NSHDSACASA-N 1 0 379.295 2.551 20 0 GFADRO CC[NH+](CC)[C@@H]1CCN(C(=O)c2cc(=O)[nH]c3ccc(Br)cc32)C1 ZINC000174163526 552101282 /nfs/dbraw/zinc/10/12/82/552101282.db2.gz RFGJRTUMQWFDGE-CYBMUJFWSA-N 1 0 392.297 2.847 20 0 GFADRO O=C(c1cc2cc(Br)ccc2[nH]1)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000174199817 552101736 /nfs/dbraw/zinc/10/17/36/552101736.db2.gz IDEYZQLQIPNEBX-CYBMUJFWSA-N 1 0 392.297 2.725 20 0 GFADRO CC[NH+](CC)[C@H]1CCN(C(=O)CSc2nnc(-c3cccs3)n2C)C1 ZINC000174178452 552102076 /nfs/dbraw/zinc/10/20/76/552102076.db2.gz IQBAQXDCPSHPHU-ZDUSSCGKSA-N 1 0 379.555 2.578 20 0 GFADRO C[C@@H]1C[C@@H](N(C)C(=O)NCCOc2ccc(Br)cc2)CC[N@@H+]1C ZINC000174411324 552103532 /nfs/dbraw/zinc/10/35/32/552103532.db2.gz HSMMOIBRRRYASS-HIFRSBDPSA-N 1 0 384.318 2.952 20 0 GFADRO CS(=O)(=O)c1ccc(Cl)c(C(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000174557339 552106324 /nfs/dbraw/zinc/10/63/24/552106324.db2.gz OEQXBRTZLZBZAC-CQSZACIVSA-N 1 0 384.929 2.692 20 0 GFADRO CC(C)C[NH+]1CCN(C(=O)c2cc(=O)[nH]c3c(Br)cccc23)CC1 ZINC000175081928 552115510 /nfs/dbraw/zinc/11/55/10/552115510.db2.gz SYRVBJPGILTUQA-UHFFFAOYSA-N 1 0 392.297 2.704 20 0 GFADRO CC[N@H+](C)CCNC(=O)c1c(C)nn(Cc2cccc(Br)c2)c1C ZINC000175333220 552119523 /nfs/dbraw/zinc/11/95/23/552119523.db2.gz YGTACSCDBYUBLY-UHFFFAOYSA-N 1 0 393.329 2.992 20 0 GFADRO C[N@@H+](Cc1csc(Br)c1)C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000176632384 552143027 /nfs/dbraw/zinc/14/30/27/552143027.db2.gz NZRQTPMKXZKRPN-LLVKDONJSA-N 1 0 381.361 2.614 20 0 GFADRO C[C@H]1C[NH+](CCCCNC(=O)COc2ccc(Br)cc2)C[C@H](C)O1 ZINC000176687063 552143950 /nfs/dbraw/zinc/14/39/50/552143950.db2.gz SOALZQHSAXXABA-GJZGRUSLSA-N 1 0 399.329 2.834 20 0 GFADRO C[C@@H]1C[N@@H+](CCCCNC(=O)Cc2ccc(Br)cc2)C[C@H](C)O1 ZINC000176690186 552144334 /nfs/dbraw/zinc/14/43/34/552144334.db2.gz GMJQPQDOMWTDHG-GASCZTMLSA-N 1 0 383.330 2.997 20 0 GFADRO Cc1ccc(C(=O)N2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)cc1Br ZINC000176788476 552145944 /nfs/dbraw/zinc/14/59/44/552145944.db2.gz PFWAVHLRJNLSGU-KRWDZBQOSA-N 1 0 394.357 3.000 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)c(C)c1C(=O)N(C)CC[NH+](C)C ZINC000176809348 552146170 /nfs/dbraw/zinc/14/61/70/552146170.db2.gz JBINYICYSIEDQS-UHFFFAOYSA-N 1 0 379.302 2.885 20 0 GFADRO Cc1ccc(S(=O)(=O)N2CCN(C)c3cc[nH+]cc32)c(Br)c1 ZINC000176978015 552148448 /nfs/dbraw/zinc/14/84/48/552148448.db2.gz HYQYKOHYDYUVSD-UHFFFAOYSA-N 1 0 382.283 2.798 20 0 GFADRO Cc1cc(S(=O)(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)sc1Br ZINC000176987908 552148697 /nfs/dbraw/zinc/14/86/97/552148697.db2.gz FGHMSNIUBJJQPB-WDEREUQCSA-N 1 0 381.361 2.970 20 0 GFADRO Cc1cc(S(=O)(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)sc1Br ZINC000176987895 552148888 /nfs/dbraw/zinc/14/88/88/552148888.db2.gz FGHMSNIUBJJQPB-GHMZBOCLSA-N 1 0 381.361 2.970 20 0 GFADRO C[C@H]1C[C@H](N(C)C(=O)c2cc(=O)[nH]c3c(Br)cccc23)CC[N@@H+]1C ZINC000177012287 552149511 /nfs/dbraw/zinc/14/95/11/552149511.db2.gz AEIXAHXZDSCPCW-NWDGAFQWSA-N 1 0 392.297 2.845 20 0 GFADRO C[NH+](C)C1CCN(CCNC(=O)C(C)(C)c2cccc(Br)c2)CC1 ZINC000177151400 552150649 /nfs/dbraw/zinc/15/06/49/552150649.db2.gz IINLZBGNFVCAKH-UHFFFAOYSA-N 1 0 396.373 2.869 20 0 GFADRO C[NH+](C)C1CCN(CCNC(=O)/C=C/c2csc(Br)c2)CC1 ZINC000177153496 552150842 /nfs/dbraw/zinc/15/08/42/552150842.db2.gz CMDWEJGNUICXFI-ONEGZZNKSA-N 1 0 386.359 2.666 20 0 GFADRO C[C@@H]([NH2+]C[C@@H](O)c1ccccc1Cl)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000177363422 552153914 /nfs/dbraw/zinc/15/39/14/552153914.db2.gz BGZPOZMTPQRNDG-FZKQIMNGSA-N 1 0 382.913 2.975 20 0 GFADRO C[C@H]([NH2+]C[C@@H](O)c1ccccc1Cl)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000177363408 552153939 /nfs/dbraw/zinc/15/39/39/552153939.db2.gz BGZPOZMTPQRNDG-SCLBCKFNSA-N 1 0 382.913 2.975 20 0 GFADRO Cn1c(SCC(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)nnc1-c1cccs1 ZINC000177479428 552155559 /nfs/dbraw/zinc/15/55/59/552155559.db2.gz MWKMHQPBNGWPOS-CHWSQXEVSA-N 1 0 379.555 2.625 20 0 GFADRO C[C@H](Cn1cc(Br)cn1)[NH2+]C1CCN(C(=O)c2ccccc2)CC1 ZINC000177855333 552159913 /nfs/dbraw/zinc/15/99/13/552159913.db2.gz CJPHHTLJBCOOEP-CQSZACIVSA-N 1 0 391.313 2.929 20 0 GFADRO C[C@H](CNC(=O)N[C@@H](CO)c1cccc(Br)c1)C[NH+]1CCCC1 ZINC000177970023 552161583 /nfs/dbraw/zinc/16/15/83/552161583.db2.gz TXGJYKWUHCICOA-CJNGLKHVSA-N 1 0 384.318 2.514 20 0 GFADRO C[C@@H](CNC(=O)N[C@@H](CO)c1cccc(Br)c1)[NH+]1CCC(C)CC1 ZINC000178023119 552162768 /nfs/dbraw/zinc/16/27/68/552162768.db2.gz FPMNCXDUDLSLFQ-YOEHRIQHSA-N 1 0 398.345 2.902 20 0 GFADRO O=C(N[C@@H](c1ccccc1)c1ccc(Br)cc1F)[C@H]1C[NH2+]CCO1 ZINC000178436828 552170136 /nfs/dbraw/zinc/17/01/36/552170136.db2.gz XFAWVEGLRCQGKL-SJORKVTESA-N 1 0 393.256 2.782 20 0 GFADRO C[C@@H]([NH2+]CCSC(F)(F)F)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000178420111 552170342 /nfs/dbraw/zinc/17/03/42/552170342.db2.gz BGDVHIJLJYLRKE-GFCCVEGCSA-N 1 0 398.472 2.611 20 0 GFADRO COCCNS(=O)(=O)c1cccc(C[NH2+][C@@H](C)c2sc(C)nc2C)c1 ZINC000178447329 552170786 /nfs/dbraw/zinc/17/07/86/552170786.db2.gz DVNTVECQPXSRMO-LBPRGKRZSA-N 1 0 383.539 2.535 20 0 GFADRO C[C@H]([NH2+]C[C@H](O)COc1ccc(I)cc1)C1CCC1 ZINC000178519358 552172012 /nfs/dbraw/zinc/17/20/12/552172012.db2.gz YAJMYRCLZHJCAC-FZMZJTMJSA-N 1 0 375.250 2.809 20 0 GFADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3n[nH]c4ccc(Br)cc43)CC[C@@H]21 ZINC000178573130 552172772 /nfs/dbraw/zinc/17/27/72/552172772.db2.gz SSXLRIWKFGFSKQ-ABAIWWIYSA-N 1 0 377.286 2.882 20 0 GFADRO NC(=O)[C@@H](NCc1cc(F)cc2c1OCOC2)c1cccc(Br)c1 ZINC000179221609 552187430 /nfs/dbraw/zinc/18/74/30/552187430.db2.gz YQDROYBTIXBIES-HNNXBMFYSA-N 1 0 395.228 2.771 20 0 GFADRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)[C@@H]2COc3ccc(Br)cc32)C1 ZINC000179367474 552191072 /nfs/dbraw/zinc/19/10/72/552191072.db2.gz DQEIJENEVMLUOW-DAXOMENPSA-N 1 0 379.298 2.868 20 0 GFADRO COCCO[C@@H]1CCC[N@H+](C[C@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000179359396 552191137 /nfs/dbraw/zinc/19/11/37/552191137.db2.gz VCMGKELCRPXQIQ-LSDHHAIUSA-N 1 0 378.296 2.861 20 0 GFADRO CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)C1(OC)CC[NH2+]CC1 ZINC000179555654 552196088 /nfs/dbraw/zinc/19/60/88/552196088.db2.gz UIFUWCHIPGPRQT-UHFFFAOYSA-N 1 0 388.295 2.549 20 0 GFADRO CCC[NH+](CCC)CCCNC(=O)C(=O)Nc1ccc(Br)nc1C ZINC000179651140 552198906 /nfs/dbraw/zinc/19/89/06/552198906.db2.gz ZOZQBCFKNVWQLW-UHFFFAOYSA-N 1 0 399.333 2.719 20 0 GFADRO Cc1cc(Br)ccc1C[NH+]1CCC(C(=O)N2CCOCC2)CC1 ZINC000179691160 552200284 /nfs/dbraw/zinc/20/02/84/552200284.db2.gz WUKYEPXUFAARGB-UHFFFAOYSA-N 1 0 381.314 2.828 20 0 GFADRO CC(C)[N@H+](C)CCNC(=O)C(=O)Nc1ccc(Br)c2ccccc12 ZINC000179729657 552201493 /nfs/dbraw/zinc/20/14/93/552201493.db2.gz HYQKFBUJSJDPHJ-UHFFFAOYSA-N 1 0 392.297 2.997 20 0 GFADRO C[C@@H]([NH2+]CCNC(=O)c1ccn[nH]1)c1cc2cc(Br)ccc2o1 ZINC000180213066 552218144 /nfs/dbraw/zinc/21/81/44/552218144.db2.gz LUOCWUFPGZNJCK-SNVBAGLBSA-N 1 0 377.242 2.999 20 0 GFADRO CC(C)(C)c1nc(C[NH2+]CCOc2ccc(NS(C)(=O)=O)cc2)cs1 ZINC000180353819 552223610 /nfs/dbraw/zinc/22/36/10/552223610.db2.gz UFIBTRCBTRQGFE-UHFFFAOYSA-N 1 0 383.539 2.981 20 0 GFADRO C[C@H]1CCCN(C(=O)C[NH2+]C(C)(C)COc2ncccc2Br)C1 ZINC000180395799 552225184 /nfs/dbraw/zinc/22/51/84/552225184.db2.gz ZCIWQOJMVMDKSE-ZDUSSCGKSA-N 1 0 384.318 2.850 20 0 GFADRO CC(C)NS(=O)(=O)CC[NH2+][C@@H]1CCSc2ccc(Br)cc21 ZINC000180476471 552227597 /nfs/dbraw/zinc/22/75/97/552227597.db2.gz NKLWDJSUCBVLLQ-CYBMUJFWSA-N 1 0 393.372 2.903 20 0 GFADRO C[C@H](CN1CCOCC1)[NH2+][C@@H](C)c1cc2c(cc1Br)OCCO2 ZINC000180484628 552227644 /nfs/dbraw/zinc/22/76/44/552227644.db2.gz YPRAIJXFFDPOGF-OLZOCXBDSA-N 1 0 385.302 2.592 20 0 GFADRO Cc1nn(C)c(C)c1CCC[NH2+][C@@H](C(N)=O)c1ccc(Br)cc1 ZINC000180603714 552231122 /nfs/dbraw/zinc/23/11/22/552231122.db2.gz ZLAROHZKMOWLSN-MRXNPFEDSA-N 1 0 379.302 2.548 20 0 GFADRO C[C@@H](Cn1cc(Br)cn1)[NH2+]CC1(N2CCCCC2)CCOCC1 ZINC000180739089 552233853 /nfs/dbraw/zinc/23/38/53/552233853.db2.gz KIMREYPJJFMOCT-HNNXBMFYSA-N 1 0 385.350 2.659 20 0 GFADRO CCS(=O)(=O)C[C@@H](C)[NH2+][C@@H](C)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000180826523 552237072 /nfs/dbraw/zinc/23/70/72/552237072.db2.gz IUOJRUOETMAJOU-CABCVRRESA-N 1 0 387.567 2.877 20 0 GFADRO COCCNS(=O)(=O)c1cccc(C[NH2+]Cc2ccc(Cl)c(C)c2)c1 ZINC000180961521 552241167 /nfs/dbraw/zinc/24/11/67/552241167.db2.gz XEJWQULGJLSYPG-UHFFFAOYSA-N 1 0 382.913 2.863 20 0 GFADRO C[C@@H]([NH2+][C@@H]1CC(=O)N(CCN2CCOCC2)C1)c1ccc(Cl)cc1Cl ZINC000181033041 552243637 /nfs/dbraw/zinc/24/36/37/552243637.db2.gz QJTKCVKBQGSASP-UKRRQHHQSA-N 1 0 386.323 2.577 20 0 GFADRO C[C@@H]([NH2+]C[C@@H](O)COc1ccc(I)cc1)c1cccnc1 ZINC000181409744 552255704 /nfs/dbraw/zinc/25/57/04/552255704.db2.gz QXPZTWKARNKJOG-IUODEOHRSA-N 1 0 398.244 2.777 20 0 GFADRO Brc1ccc(C[NH2+][C@H]2CCN(C3CC3)C2)c(N2CCOCC2)c1 ZINC000181458642 552257198 /nfs/dbraw/zinc/25/71/98/552257198.db2.gz ADWIHDZBLUESNA-INIZCTEOSA-N 1 0 380.330 2.612 20 0 GFADRO C[C@@H]([NH2+][C@H]1CCO[C@]2(CCSC2)C1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000181452501 552257300 /nfs/dbraw/zinc/25/73/00/552257300.db2.gz UDPQRYLCPPHNQO-UWWQBHOKSA-N 1 0 384.567 2.642 20 0 GFADRO C[C@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH2+]CC1(CO)COC1 ZINC000181543033 552260560 /nfs/dbraw/zinc/26/05/60/552260560.db2.gz UNQJRFXQCRMLQS-SNVBAGLBSA-N 1 0 380.794 2.674 20 0 GFADRO C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+]Cc1cn(C)nc1C(F)(F)F ZINC000181582598 552262000 /nfs/dbraw/zinc/26/20/00/552262000.db2.gz LCKPFZVQRUNDFR-SECBINFHSA-N 1 0 375.782 2.994 20 0 GFADRO C[NH+](C)CCNC(=O)Nc1ccc(CCn2cc(Br)cn2)cc1 ZINC000181610401 552262417 /nfs/dbraw/zinc/26/24/17/552262417.db2.gz IQPHNXRTAXYOHK-UHFFFAOYSA-N 1 0 380.290 2.571 20 0 GFADRO O=S(=O)(C[C@H](O)C[NH2+][C@H]1CCCOc2ccc(F)cc21)c1cccs1 ZINC000181639793 552263632 /nfs/dbraw/zinc/26/36/32/552263632.db2.gz PTAJPCDGGGKPGH-HIFRSBDPSA-N 1 0 385.482 2.525 20 0 GFADRO Cc1cccc(C[C@H]([NH2+]C[C@@H](O)CS(=O)(=O)c2cccs2)C2CC2)c1 ZINC000181642174 552264081 /nfs/dbraw/zinc/26/40/81/552264081.db2.gz IAHWDEMMLFYHJC-MSOLQXFVSA-N 1 0 379.547 2.802 20 0 GFADRO C[N@@H+]1CCC[C@H](CNC(=O)c2ncc(Br)cc2Br)C1 ZINC000183566591 552313556 /nfs/dbraw/zinc/31/35/56/552313556.db2.gz YPWULWCCCAUZDZ-SECBINFHSA-N 1 0 391.107 2.678 20 0 GFADRO C[C@H]([NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1)c1ccc(F)cc1Br ZINC000181680568 552265215 /nfs/dbraw/zinc/26/52/15/552265215.db2.gz OFPZNVACIKNTBA-QWRGUYRKSA-N 1 0 379.295 2.520 20 0 GFADRO C[C@@H]([NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1)c1cc(Br)ccc1F ZINC000181677852 552265353 /nfs/dbraw/zinc/26/53/53/552265353.db2.gz CITREOJLQCMYIC-MNOVXSKESA-N 1 0 379.295 2.520 20 0 GFADRO CC(C)Cn1cc(C[NH2+]C[C@@H](O)COc2ccccc2Br)cn1 ZINC000181802338 552268351 /nfs/dbraw/zinc/26/83/51/552268351.db2.gz YHBSQDAOHUCKGY-OAHLLOKOSA-N 1 0 382.302 2.831 20 0 GFADRO CCC[N@H+](CC)CCNC(=O)C(=O)Nc1ccc(Cl)c(OC(F)F)c1 ZINC000181887147 552270106 /nfs/dbraw/zinc/27/01/06/552270106.db2.gz GVWLZXDYAMTEDE-UHFFFAOYSA-N 1 0 377.819 2.728 20 0 GFADRO CSc1nnc(CCC[NH2+][C@H]2CCCC[C@H]2S(C)(=O)=O)n1CC(C)C ZINC000182965000 552297411 /nfs/dbraw/zinc/29/74/11/552297411.db2.gz LFBCQFIIGJZNHJ-LSDHHAIUSA-N 1 0 388.603 2.534 20 0 GFADRO CCCCC[N@H+](CCC(=O)Nc1ccc(Br)cc1F)CC(N)=O ZINC000183060611 552299609 /nfs/dbraw/zinc/29/96/09/552299609.db2.gz RXPPEVMWDDLJPQ-UHFFFAOYSA-N 1 0 388.281 2.894 20 0 GFADRO C[C@H](O)[C@@H]1CC[N@H+](CCCOc2cccc(I)c2)C1 ZINC000183178846 552301963 /nfs/dbraw/zinc/30/19/63/552301963.db2.gz USNVWPTZQRADRP-QWHCGFSZSA-N 1 0 375.250 2.763 20 0 GFADRO CC1(CNC(=O)c2ccc(I)c(F)c2)CC[NH2+]CC1 ZINC000183356525 552306585 /nfs/dbraw/zinc/30/65/85/552306585.db2.gz KODCKNWQWMZWEB-UHFFFAOYSA-N 1 0 376.213 2.550 20 0 GFADRO COC(=O)[C@H](c1cccc(Cl)c1Cl)N(C)CCC[NH+]1CCN(C)CC1 ZINC000183610873 552314623 /nfs/dbraw/zinc/31/46/23/552314623.db2.gz XQYMLTHZZQITJV-KRWDZBQOSA-N 1 0 388.339 2.777 20 0 GFADRO CC[C@H](C)[N@H+](C)CCNS(=O)(=O)c1cc(F)c(Br)cc1OC ZINC000183648401 552315577 /nfs/dbraw/zinc/31/55/77/552315577.db2.gz BYQWSXWVZQBKJJ-JTQLQIEISA-N 1 0 397.310 2.605 20 0 GFADRO O=C(C[NH2+][C@H](CO)c1ccccc1)Nc1ccccc1I ZINC000183644103 552315908 /nfs/dbraw/zinc/31/59/08/552315908.db2.gz CGJLGTAHMPVRPJ-OAHLLOKOSA-N 1 0 396.228 2.553 20 0 GFADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)[C@H](C)c1ccc(Br)s1 ZINC000184350024 552333180 /nfs/dbraw/zinc/33/31/80/552333180.db2.gz IZDWXAXBMHUCOZ-CHWSQXEVSA-N 1 0 388.375 2.756 20 0 GFADRO Cn1nc(CC[NH2+][C@@H](C(N)=O)c2cccc(Br)c2)c2ccccc21 ZINC000184669662 552341503 /nfs/dbraw/zinc/34/15/03/552341503.db2.gz RLQHYAWFJQWEQK-QGZVFWFLSA-N 1 0 387.281 2.695 20 0 GFADRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+]C[C@](C)(O)c2cccc(Cl)c2)cc1 ZINC000185308802 552360218 /nfs/dbraw/zinc/36/02/18/552360218.db2.gz RKEQVAZHAHAXCK-UGSOOPFHSA-N 1 0 382.913 2.806 20 0 GFADRO C[C@H](CCN1CC[NH+](C)CC1)NC(=O)c1cc(-c2ccc(Cl)s2)on1 ZINC000185310816 552361212 /nfs/dbraw/zinc/36/12/12/552361212.db2.gz GPGWQDYADLTCJA-GFCCVEGCSA-N 1 0 382.917 2.812 20 0 GFADRO C[C@@H](C[NH+]1CCCCCC1)NC(=O)CNC(=O)c1ccc(Br)cc1 ZINC000185417558 552362708 /nfs/dbraw/zinc/36/27/08/552362708.db2.gz OQAAITQNYUHRTF-AWEZNQCLSA-N 1 0 396.329 2.560 20 0 GFADRO C[NH+]1CCN(CCC(C)(C)NS(=O)(=O)c2ccc(C(C)(C)C)s2)CC1 ZINC000185431557 552363430 /nfs/dbraw/zinc/36/34/30/552363430.db2.gz VWUVIWCKRKQIHY-UHFFFAOYSA-N 1 0 387.615 2.740 20 0 GFADRO CC[C@@H]1[C@@H](C)CC[N@@H+]1CC(=O)NCC(=O)Nc1ccccc1Br ZINC000185585078 552366972 /nfs/dbraw/zinc/36/69/72/552366972.db2.gz GHVLSLXUPUTZJI-SWLSCSKDSA-N 1 0 382.302 2.624 20 0 GFADRO C/C=C/C[C@H](CO)[NH2+]Cc1cc(I)c(OC)c(OC)c1 ZINC000185827483 552371534 /nfs/dbraw/zinc/37/15/34/552371534.db2.gz FXJZKIUCOYCRPY-ZYOFXKKJSA-N 1 0 391.249 2.725 20 0 GFADRO CC[C@@H](Cc1ccccc1Br)[N@H+](C)CCCN1C(=O)CNC1=O ZINC000185930986 552374304 /nfs/dbraw/zinc/37/43/04/552374304.db2.gz GVUXBKKUGWJBAI-AWEZNQCLSA-N 1 0 382.302 2.644 20 0 GFADRO COc1ccsc1S(=O)(=O)NC[C@@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000186067221 552377974 /nfs/dbraw/zinc/37/79/74/552377974.db2.gz CUUMIQJFCJBJNP-INIZCTEOSA-N 1 0 380.535 2.946 20 0 GFADRO O=C(CC[NH+]1CCC(Cn2cncn2)CC1)Nc1cccc(Br)c1 ZINC000186210748 552381518 /nfs/dbraw/zinc/38/15/18/552381518.db2.gz PENAKWKVBAOULO-UHFFFAOYSA-N 1 0 392.301 2.781 20 0 GFADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N[C@H](C)c1ccccc1Cl ZINC000186604007 552391982 /nfs/dbraw/zinc/39/19/82/552391982.db2.gz WBEGYLUADQWEHP-GFCCVEGCSA-N 1 0 384.933 2.754 20 0 GFADRO CN(CC[N@H+](C)C1CC1)CC(=O)Nc1c(F)cc(F)cc1Br ZINC000186781644 552397527 /nfs/dbraw/zinc/39/75/27/552397527.db2.gz PXHGSVNRAHNXIQ-UHFFFAOYSA-N 1 0 376.245 2.692 20 0 GFADRO CN(CC1([NH+](C)C)CCC1)C(=O)c1cc(=O)[nH]c2ccc(Br)cc21 ZINC000186997889 552403454 /nfs/dbraw/zinc/40/34/54/552403454.db2.gz AUTGICKKQOFZLS-UHFFFAOYSA-N 1 0 392.297 2.847 20 0 GFADRO Cc1cc(Br)c(F)cc1NC(=O)C(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000187222927 552409869 /nfs/dbraw/zinc/40/98/69/552409869.db2.gz AVVAZLIJUIGMOU-MNOVXSKESA-N 1 0 398.276 2.577 20 0 GFADRO Cc1sc(NC(=O)[C@H]2C[NH2+]CCO2)nc1-c1ccc(Br)cc1 ZINC000187229597 552410097 /nfs/dbraw/zinc/41/00/97/552410097.db2.gz UPPXMVNUXHMDKN-GFCCVEGCSA-N 1 0 382.283 2.808 20 0 GFADRO C[N@H+](CCCO)C1CCN(C(=O)c2c[nH]nc2-c2ccc(Cl)s2)CC1 ZINC000187332769 552412710 /nfs/dbraw/zinc/41/27/10/552412710.db2.gz NEMYXDABNIMIES-UHFFFAOYSA-N 1 0 382.917 2.710 20 0 GFADRO CCO[C@H]1C[C@]([NH3+])(C(=O)N2CCC(C(F)(F)F)(C(F)(F)F)C2)C1(C)C ZINC000187823814 552425675 /nfs/dbraw/zinc/42/56/75/552425675.db2.gz NCHQMJPHMZWLPH-ZANVPECISA-N 1 0 376.341 2.862 20 0 GFADRO Cc1cc(F)c(Br)cc1NC(=O)C(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000188049871 552433036 /nfs/dbraw/zinc/43/30/36/552433036.db2.gz HMAMUTDGTVBNNR-RYUDHWBXSA-N 1 0 398.276 2.530 20 0 GFADRO CCC[NH+]1CCC(CNC(=O)C(=O)Nc2cc(C)cc(Br)c2)CC1 ZINC000188102325 552435092 /nfs/dbraw/zinc/43/50/92/552435092.db2.gz GIKATUSTTKULLO-UHFFFAOYSA-N 1 0 396.329 2.934 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)cc1Br ZINC000188124271 552435973 /nfs/dbraw/zinc/43/59/73/552435973.db2.gz SIDASSWGIKQTHP-ZIAGYGMSSA-N 1 0 396.329 2.993 20 0 GFADRO CC(C)[NH+]1CCN(CCCSc2nnc(NC[C@@H]3CCCO3)s2)CC1 ZINC000188276903 552441180 /nfs/dbraw/zinc/44/11/80/552441180.db2.gz RJGVMUCAWFSMRJ-HNNXBMFYSA-N 1 0 385.603 2.637 20 0 GFADRO O=C(Nc1ccc(Sc2nncs2)c(Cl)c1)c1n[nH]c2c1C[NH2+]CC2 ZINC000188517663 552447055 /nfs/dbraw/zinc/44/70/55/552447055.db2.gz NAKZMCFSTUAHKR-UHFFFAOYSA-N 1 0 392.897 2.964 20 0 GFADRO C[C@@H]1CN(C(=O)CCc2ccc(Br)cc2)CC[N@@H+]1CC(C)(C)O ZINC000188619865 552450216 /nfs/dbraw/zinc/45/02/16/552450216.db2.gz GNTCUNIQXOPRPR-CQSZACIVSA-N 1 0 383.330 2.685 20 0 GFADRO COCCOc1c(Cl)cc(NC(=O)c2n[nH]c3c2C[NH2+]CC3)cc1Cl ZINC000188994883 552460264 /nfs/dbraw/zinc/46/02/64/552460264.db2.gz KXFRWCHBLACMOX-UHFFFAOYSA-N 1 0 385.251 2.640 20 0 GFADRO Cc1ccc(Br)c(S(=O)(=O)N[C@H](C)C[NH+]2CCCCC2)c1 ZINC000189126051 552463445 /nfs/dbraw/zinc/46/34/45/552463445.db2.gz PGPFVGTXINMGQP-CYBMUJFWSA-N 1 0 375.332 2.910 20 0 GFADRO COc1cc(C[NH2+][C@@H](C)[C@H](C)OC)cc(I)c1OC ZINC000189123305 552463506 /nfs/dbraw/zinc/46/35/06/552463506.db2.gz UKYWRJYXIFDRJT-UWVGGRQHSA-N 1 0 379.238 2.821 20 0 GFADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)Nc1cc(Br)c(F)cc1F ZINC000189147129 552464732 /nfs/dbraw/zinc/46/47/32/552464732.db2.gz VKLBMQIWMTVEOX-SNVBAGLBSA-N 1 0 392.244 2.960 20 0 GFADRO CCN(CCC[NH+](C)C)C(=O)NCC(=O)Nc1cc(Br)ccc1C ZINC000189196724 552465600 /nfs/dbraw/zinc/46/56/00/552465600.db2.gz QUPZFFHKDXNVCC-UHFFFAOYSA-N 1 0 399.333 2.679 20 0 GFADRO CCC[NH+]1CCC(N(C)C(=O)C(=O)Nc2ccccc2Br)CC1 ZINC000189259697 552467070 /nfs/dbraw/zinc/46/70/70/552467070.db2.gz QTCUOQLKFRHAGN-UHFFFAOYSA-N 1 0 382.302 2.720 20 0 GFADRO O=C(Nc1ccc(Br)c(F)c1)C(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000190018786 552485690 /nfs/dbraw/zinc/48/56/90/552485690.db2.gz NQXQKKLDOCZPQJ-ZDUSSCGKSA-N 1 0 398.276 2.614 20 0 GFADRO CC[C@@H]([NH2+]CC1CN(S(=O)(=O)CC)C1)c1ccc(Br)cc1 ZINC000190155983 552488845 /nfs/dbraw/zinc/48/88/45/552488845.db2.gz STPQBAULEYYWDA-OAHLLOKOSA-N 1 0 375.332 2.771 20 0 GFADRO CCCN(CCC[NH+](C)C)C(=O)C(=O)Nc1ccc(C)c(Br)c1 ZINC000190160546 552489092 /nfs/dbraw/zinc/48/90/92/552489092.db2.gz UXYCOGFBOZSECZ-UHFFFAOYSA-N 1 0 384.318 2.886 20 0 GFADRO CC1(C)C[N@H+](CCC(=O)NC(=O)NCC(F)(F)F)CC[C@@H]1C(F)(F)F ZINC000190197674 552490040 /nfs/dbraw/zinc/49/00/40/552490040.db2.gz YVTNAIPMUMEANS-VIFPVBQESA-N 1 0 377.329 2.675 20 0 GFADRO COC(=O)c1scc(C)c1S(=O)(=O)NCCC[NH+](C(C)C)C(C)C ZINC000190203932 552490055 /nfs/dbraw/zinc/49/00/55/552490055.db2.gz KUZOWGVIFLCSQA-UHFFFAOYSA-N 1 0 376.544 2.630 20 0 GFADRO Cc1cc(NC(=O)C(=O)NCC[NH+]2CCC(C)CC2)cc(C)c1Br ZINC000190310438 552492381 /nfs/dbraw/zinc/49/23/81/552492381.db2.gz ZUMJUICMVNJGMA-UHFFFAOYSA-N 1 0 396.329 2.853 20 0 GFADRO Cc1cc(NC(=O)C(=O)NCC(C)(C)C[NH+](C)C)cc(C)c1Br ZINC000190491117 552498139 /nfs/dbraw/zinc/49/81/39/552498139.db2.gz PUCGUPKUKWCEGO-UHFFFAOYSA-N 1 0 384.318 2.708 20 0 GFADRO Cc1cc(NC(=O)C(=O)N(C)CC2([NH+](C)C)CCC2)cc(C)c1Br ZINC000190741246 552507400 /nfs/dbraw/zinc/50/74/00/552507400.db2.gz MMVIIWJFFLZEAO-UHFFFAOYSA-N 1 0 396.329 2.947 20 0 GFADRO CCN(CC)S(=O)(=O)c1ccc(CC[NH2+]Cc2cccc(OC)n2)s1 ZINC000190950514 552514650 /nfs/dbraw/zinc/51/46/50/552514650.db2.gz HBDAQLUTWNUJTE-UHFFFAOYSA-N 1 0 383.539 2.515 20 0 GFADRO COc1cc(C[NH2+][C@@H]2CC[C@@H](OC)C2)cc(I)c1OC ZINC000190949625 552514710 /nfs/dbraw/zinc/51/47/10/552514710.db2.gz CRIBQBORDOSLPJ-VXGBXAGGSA-N 1 0 391.249 2.966 20 0 GFADRO COCC[NH+]1CCC(N[C@@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)CC1 ZINC000190972870 552515199 /nfs/dbraw/zinc/51/51/99/552515199.db2.gz WUPSQBZSZCWPCM-MRXNPFEDSA-N 1 0 386.323 2.799 20 0 GFADRO Nc1cc(C[N@@H+]2CCC[C@@H](C(=O)Nc3ccc(Br)cn3)C2)ccn1 ZINC000191564990 552531982 /nfs/dbraw/zinc/53/19/82/552531982.db2.gz JVNYBRNOSYEUOT-CYBMUJFWSA-N 1 0 390.285 2.672 20 0 GFADRO C[N@H+](CCn1cccn1)Cc1ccc(Br)cc1N1CCOCC1 ZINC000191680573 552534756 /nfs/dbraw/zinc/53/47/56/552534756.db2.gz NJORRRNZFRMSQR-UHFFFAOYSA-N 1 0 379.302 2.614 20 0 GFADRO Cc1cc(NC(=O)C(=O)N2CCC([NH+](C)C)CC2)cc(C)c1Br ZINC000191991043 552544794 /nfs/dbraw/zinc/54/47/94/552544794.db2.gz NGRBNALQYLGZQL-UHFFFAOYSA-N 1 0 382.302 2.557 20 0 GFADRO CC(C)[NH+]1CCC(NC(=O)CN2CCc3cc(Br)ccc3C2)CC1 ZINC000192254849 552557445 /nfs/dbraw/zinc/55/74/45/552557445.db2.gz HWJTVLXLXWVSCW-UHFFFAOYSA-N 1 0 394.357 2.796 20 0 GFADRO O=C(NC1CC[NH+](Cc2ccncc2)CC1)c1ncccc1Br ZINC000192780093 552973244 /nfs/dbraw/zinc/97/32/44/552973244.db2.gz YCZNYRFYHMYXKL-UHFFFAOYSA-N 1 0 375.270 2.634 20 0 GFADRO C[C@@H]1COCCN1CCN1CCO[C@H](c2ccc(F)c(Br)c2)C1 ZINC000192806804 552974001 /nfs/dbraw/zinc/97/40/01/552974001.db2.gz ANLJXBHOMFOXOS-DYVFJYSZSA-N 1 0 387.293 2.682 20 0 GFADRO O=S(=O)(N1CCC([NH2+]Cc2cnc(-c3ccco3)s2)CC1)C(F)(F)F ZINC000193146081 552984630 /nfs/dbraw/zinc/98/46/30/552984630.db2.gz HNWUUFOOOYCVBK-UHFFFAOYSA-N 1 0 395.428 2.807 20 0 GFADRO CCN(CCC[NH2+][C@H]1CCc2ccc(Br)cc21)S(C)(=O)=O ZINC000193160381 552985153 /nfs/dbraw/zinc/98/51/53/552985153.db2.gz MNGONXGYYPFJQZ-HNNXBMFYSA-N 1 0 375.332 2.698 20 0 GFADRO C[NH2+]C[C@@H]1CCCN(S(=O)(=O)c2cc(Cl)c(Br)cc2F)C1 ZINC000193227593 552986762 /nfs/dbraw/zinc/98/67/62/552986762.db2.gz ZWDLJFRTYIKDBL-VIFPVBQESA-N 1 0 399.713 2.862 20 0 GFADRO O=S(=O)(N[C@H]1CCC[NH2+]C1)c1ccc(Br)c(Cl)c1Cl ZINC000193234461 552987205 /nfs/dbraw/zinc/98/72/05/552987205.db2.gz GEDQJFHNWBMPHC-ZETCQYMHSA-N 1 0 388.114 2.786 20 0 GFADRO O=S(=O)(N[C@@H]1CCC[NH2+]C1)c1ccc(Br)c(Cl)c1Cl ZINC000193234448 552987391 /nfs/dbraw/zinc/98/73/91/552987391.db2.gz GEDQJFHNWBMPHC-SSDOTTSWSA-N 1 0 388.114 2.786 20 0 GFADRO Cc1cc(F)c(Br)cc1S(=O)(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000193283858 552988878 /nfs/dbraw/zinc/98/88/78/552988878.db2.gz BTIBCVOBODRUPS-MNOVXSKESA-N 1 0 379.295 2.645 20 0 GFADRO Cc1cc(F)c(Br)cc1S(=O)(=O)N(C)CC[C@H]([NH3+])C(C)C ZINC000193302724 552989651 /nfs/dbraw/zinc/98/96/51/552989651.db2.gz JKQUVWASBXIHGN-ZDUSSCGKSA-N 1 0 381.311 2.891 20 0 GFADRO CC1(NC(=O)CCC[S@](=O)c2ccc(Br)cc2)CC[NH2+]CC1 ZINC000193364295 552991080 /nfs/dbraw/zinc/99/10/80/552991080.db2.gz IVWRBVGPXDHAJE-QFIPXVFZSA-N 1 0 387.343 2.595 20 0 GFADRO O=S(=O)(NCC1=CC[NH2+]CC1)c1ccc(Br)cc1C(F)(F)F ZINC000193388416 552991526 /nfs/dbraw/zinc/99/15/26/552991526.db2.gz PNWYBNUJDOQARV-UHFFFAOYSA-N 1 0 399.232 2.666 20 0 GFADRO Cn1cc(N2CC[C@H]([NH2+][C@@H]3CCc4ccc(Br)cc43)C2=O)cn1 ZINC000193993333 553008660 /nfs/dbraw/zinc/00/86/60/553008660.db2.gz MRXMDBOKNTWBQD-CVEARBPZSA-N 1 0 375.270 2.565 20 0 GFADRO C[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000194006705 553009145 /nfs/dbraw/zinc/00/91/45/553009145.db2.gz BUQWWPOJCHVQLQ-IUODEOHRSA-N 1 0 387.933 2.697 20 0 GFADRO COC[C@@H]([NH2+]CCN(C)S(=O)(=O)c1cccs1)c1ccc(Cl)cc1 ZINC000194118354 553012105 /nfs/dbraw/zinc/01/21/05/553012105.db2.gz LBDLQCQPRZCHFE-OAHLLOKOSA-N 1 0 388.942 2.999 20 0 GFADRO O=C([C@H]1Cc2cc(Br)ccc2O1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000194341496 553018330 /nfs/dbraw/zinc/01/83/30/553018330.db2.gz PUDXJBSHTXPJNB-SUMWQHHRSA-N 1 0 379.298 2.697 20 0 GFADRO C[NH+]1CCC(NC(=O)N2CCO[C@H](c3cccc(Br)c3)C2)CC1 ZINC000194527457 553022999 /nfs/dbraw/zinc/02/29/99/553022999.db2.gz FFQNYKADFIKLBW-INIZCTEOSA-N 1 0 382.302 2.626 20 0 GFADRO [NH3+]CCc1nc(C(=O)N2CCO[C@@H](c3cccc(Br)c3)C2)cs1 ZINC000194792115 553029980 /nfs/dbraw/zinc/02/99/80/553029980.db2.gz DKJTTXSLKRMPKV-CQSZACIVSA-N 1 0 396.310 2.621 20 0 GFADRO C[C@H](NS(=O)(=O)c1cccc2nsnc21)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000194802100 553030563 /nfs/dbraw/zinc/03/05/63/553030563.db2.gz QUTPAWDQJKMYQP-STQMWFEESA-N 1 0 380.539 2.623 20 0 GFADRO CC(=O)NCc1ccc(-c2nc(NC(=O)[C@@H]3CCC[C@@H]3[NH3+])sc2C)s1 ZINC000195246640 553042673 /nfs/dbraw/zinc/04/26/73/553042673.db2.gz WOIOBMKSMHYKTN-OLZOCXBDSA-N 1 0 378.523 2.882 20 0 GFADRO CC(=O)CSCC(=O)Nc1nc2c(s1)CN(Cc1ccccc1)CC2 ZINC000195263403 553043042 /nfs/dbraw/zinc/04/30/42/553043042.db2.gz PWMKYUMZZWTRFU-UHFFFAOYSA-N 1 0 375.519 2.962 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)C1CC[NH+](C2CC2)CC1 ZINC000195301568 553044535 /nfs/dbraw/zinc/04/45/35/553044535.db2.gz DXZSVHNXMMBYIB-UHFFFAOYSA-N 1 0 394.313 2.687 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)c2cc(Cl)ccc2I)CC[NH2+]1 ZINC000219250866 553054537 /nfs/dbraw/zinc/05/45/37/553054537.db2.gz TWIVHBVBJLUHQG-PSASIEDQSA-N 1 0 378.641 2.815 20 0 GFADRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)c1cc(Cl)ccc1I ZINC000227355302 553062691 /nfs/dbraw/zinc/06/26/91/553062691.db2.gz JKUVMSQGKKUXBB-DTWKUNHWSA-N 1 0 378.641 2.767 20 0 GFADRO C[C@H]1OCC[C@@]1(O)C[NH2+]Cc1ccc(Br)c(Br)c1 ZINC000227974684 553063125 /nfs/dbraw/zinc/06/31/25/553063125.db2.gz IXTABPLTYBCRKG-NOZJJQNGSA-N 1 0 379.092 2.841 20 0 GFADRO O=C(CC1CC[NH2+]CC1)NC[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000236571687 553069193 /nfs/dbraw/zinc/06/91/93/553069193.db2.gz RKFJKDPWOJMPRR-OAHLLOKOSA-N 1 0 380.330 2.781 20 0 GFADRO O=S(=O)(N[C@@H]1CC[NH2+]C1)c1ccc(-c2ccc(Br)cc2)cc1 ZINC000236753014 553071140 /nfs/dbraw/zinc/07/11/40/553071140.db2.gz ZYRSUQDLQJCCRG-OAHLLOKOSA-N 1 0 381.295 2.756 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)N1C[C@H](C)[NH2+]C[C@@H]1C ZINC000236828292 553071666 /nfs/dbraw/zinc/07/16/66/553071666.db2.gz LQRLRZAMOZDHFI-SOUVJXGZSA-N 1 0 384.567 2.560 20 0 GFADRO CCOc1cc(Br)c(CC(=O)N2CCC[C@@H](C[NH3+])C2)cc1OCC ZINC000236878576 553072107 /nfs/dbraw/zinc/07/21/07/553072107.db2.gz METUQLJZUGXTTO-ZDUSSCGKSA-N 1 0 399.329 2.986 20 0 GFADRO CCCN(C1CC[NH2+]CC1)S(=O)(=O)c1ccc(C)c(Br)c1 ZINC000236874935 553072462 /nfs/dbraw/zinc/07/24/62/553072462.db2.gz CQXWBJKORSVINF-UHFFFAOYSA-N 1 0 375.332 2.910 20 0 GFADRO CCOC(=O)N1CCC([NH2+]CCC(=O)Nc2ccc(Br)cc2)CC1 ZINC000236878723 553072865 /nfs/dbraw/zinc/07/28/65/553072865.db2.gz VTDDDAAOMUBPAK-UHFFFAOYSA-N 1 0 398.301 2.988 20 0 GFADRO CCCC[C@H](C[NH3+])NC(=O)c1cc(F)c(F)cc1I ZINC000236927132 553073022 /nfs/dbraw/zinc/07/30/22/553073022.db2.gz AVNSZNYSKWGHOB-MRVPVSSYSA-N 1 0 382.192 2.817 20 0 GFADRO CC[NH2+]CCNC(=O)c1cnn(-c2ncc(Cl)cc2Cl)c1C(F)(F)F ZINC000237006624 553073789 /nfs/dbraw/zinc/07/37/89/553073789.db2.gz JUDNSUGECKCAMH-UHFFFAOYSA-N 1 0 396.200 2.932 20 0 GFADRO C[NH2+]C1CCN(C(=O)[C@H](CCOC)Cc2cccc(Br)c2)CC1 ZINC000237083636 553074129 /nfs/dbraw/zinc/07/41/29/553074129.db2.gz OAUSGPXJIAMICW-OAHLLOKOSA-N 1 0 383.330 2.855 20 0 GFADRO C[NH2+]C1CCN(C(=O)c2ccc(I)c(Cl)c2)CC1 ZINC000237093897 553074365 /nfs/dbraw/zinc/07/43/65/553074365.db2.gz ZIISPOLRMWIWKV-UHFFFAOYSA-N 1 0 378.641 2.769 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)[C@@]1(C)CCC[NH2+]C1 ZINC000237094196 553074400 /nfs/dbraw/zinc/07/44/00/553074400.db2.gz KBPIDMRYSZEINH-KRWDZBQOSA-N 1 0 382.302 2.544 20 0 GFADRO C[NH2+]C[C@H]1CCCN(C(=O)CCC(=O)c2cc(Br)ccc2OC)C1 ZINC000237285790 553076637 /nfs/dbraw/zinc/07/66/37/553076637.db2.gz YNZGDBFDEDHDFC-CYBMUJFWSA-N 1 0 397.313 2.879 20 0 GFADRO Cc1cc(NC(=O)CNC(=O)C[C@H](C)[C@H]2CCC[NH2+]C2)ccc1Br ZINC000237404306 553077669 /nfs/dbraw/zinc/07/76/69/553077669.db2.gz WAHVMJYNEPQYET-JSGCOSHPSA-N 1 0 396.329 2.838 20 0 GFADRO C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)[C@]2(C)CC[NH2+]C2)CC1 ZINC000237436563 553077757 /nfs/dbraw/zinc/07/77/57/553077757.db2.gz GEVKJGYCGBGOMZ-RDTXWAMCSA-N 1 0 380.330 2.654 20 0 GFADRO C[C@@H](Oc1ccc(Br)cc1)C(=O)N1CCC(OCCC[NH3+])CC1 ZINC000237435891 553077782 /nfs/dbraw/zinc/07/77/82/553077782.db2.gz MQVZYZUUTNZOJK-CYBMUJFWSA-N 1 0 385.302 2.573 20 0 GFADRO C[C@H](CC(=O)N(C)CC(=O)Nc1ccccc1Br)[C@H]1CCC[NH2+]C1 ZINC000237493045 553078073 /nfs/dbraw/zinc/07/80/73/553078073.db2.gz SKNJPLWUFZQWLS-KGLIPLIRSA-N 1 0 396.329 2.872 20 0 GFADRO C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)[C@@H]2CCCC[NH2+]2)CC1 ZINC000237494147 553078193 /nfs/dbraw/zinc/07/81/93/553078193.db2.gz AUSNQUFCZJPHGL-YOEHRIQHSA-N 1 0 380.330 2.796 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)c2ccc(I)c(F)c2)C1 ZINC000237476486 553078379 /nfs/dbraw/zinc/07/83/79/553078379.db2.gz CUFPEJSFNQIPBH-GXSJLCMTSA-N 1 0 376.213 2.630 20 0 GFADRO C[C@H](NC(=O)[C@@]1(C)CCC[NH2+]C1)c1cc2c(cc1Br)OCCO2 ZINC000237489339 553078426 /nfs/dbraw/zinc/07/84/26/553078426.db2.gz IQHNJWZTRVLUFE-GTNSWQLSSA-N 1 0 383.286 2.787 20 0 GFADRO C[C@H](NC(=O)[C@H]1CC12CC[NH2+]CC2)c1cc2c(cc1Br)OCCO2 ZINC000237512391 553078950 /nfs/dbraw/zinc/07/89/50/553078950.db2.gz YCODNGKCEJUWNW-WCQYABFASA-N 1 0 395.297 2.787 20 0 GFADRO Cc1cc(NC(=O)CNC(=O)C[C@@H](C)[C@H]2CCC[NH2+]C2)ccc1Br ZINC000237602903 553079828 /nfs/dbraw/zinc/07/98/28/553079828.db2.gz WAHVMJYNEPQYET-OCCSQVGLSA-N 1 0 396.329 2.838 20 0 GFADRO CC(=O)N[C@H](CC(=O)N1CCC[C@H](C)[C@@H]1C[NH3+])c1ccc(Br)cc1 ZINC000237699912 553080373 /nfs/dbraw/zinc/08/03/73/553080373.db2.gz DNUJUWCLCXHQLK-VUCTXSBTSA-N 1 0 396.329 2.602 20 0 GFADRO O=C([C@H]1Cc2ccccc2C[NH2+]1)N1CCN(Cc2ccc(Cl)s2)CC1 ZINC000237688871 553080638 /nfs/dbraw/zinc/08/06/38/553080638.db2.gz PSLORAQXZWHDOS-QGZVFWFLSA-N 1 0 375.925 2.760 20 0 GFADRO O=C(NCC[C@H]1CCC[NH2+]C1)[C@@H]1CCN(c2cc(Cl)ccc2Cl)C1=O ZINC000237716102 553080885 /nfs/dbraw/zinc/08/08/85/553080885.db2.gz DLTMPQNEHHHDQM-OCCSQVGLSA-N 1 0 384.307 2.852 20 0 GFADRO O=C(NCCc1cc(Br)ccc1F)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000237722015 553080958 /nfs/dbraw/zinc/08/09/58/553080958.db2.gz YVWWHLGNLCIQEK-QGZVFWFLSA-N 1 0 377.257 2.961 20 0 GFADRO Cc1cc(C(=O)NC[C@H]2CCC[NH2+]C2)nn1-c1ccc(Br)cc1 ZINC000237743076 553081108 /nfs/dbraw/zinc/08/11/08/553081108.db2.gz TYUMDPGKWFNVRK-ZDUSSCGKSA-N 1 0 377.286 2.673 20 0 GFADRO [NH3+]C1(CNC(=O)[C@H]2CCN(c3ccccc3Br)C2=O)CCCCC1 ZINC000237763180 553081556 /nfs/dbraw/zinc/08/15/56/553081556.db2.gz KQZGABLVEURPQS-CYBMUJFWSA-N 1 0 394.313 2.580 20 0 GFADRO Cc1c(C(=O)NC2C[C@H]3CC[C@@H](C2)[NH2+]3)cnn1-c1cccc(Br)c1 ZINC000237757633 553081832 /nfs/dbraw/zinc/08/18/32/553081832.db2.gz ADQNYCLBWCFVJO-YIONKMFJSA-N 1 0 389.297 2.956 20 0 GFADRO C[C@]1(C(=O)N2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)CCC[NH2+]C1 ZINC000237797384 553082273 /nfs/dbraw/zinc/08/22/73/553082273.db2.gz VOAIQJGXFOFBQW-SFHVURJKSA-N 1 0 384.307 2.668 20 0 GFADRO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)N[C@@H]1CCC[C@@H]1C[NH3+] ZINC000237831295 553083015 /nfs/dbraw/zinc/08/30/15/553083015.db2.gz GNPNIOBMNRPSIY-ZWNOBZJWSA-N 1 0 379.254 2.721 20 0 GFADRO [NH3+]C[C@H](NC(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1)C1CC1 ZINC000237889599 553083414 /nfs/dbraw/zinc/08/34/14/553083414.db2.gz COQIQJZZZVEWEQ-CJNGLKHVSA-N 1 0 384.307 2.699 20 0 GFADRO [NH3+]C[C@H]1CCCCN1C(=O)CCC[S@](=O)c1ccc(Br)cc1 ZINC000237940784 553084085 /nfs/dbraw/zinc/08/40/85/553084085.db2.gz CFAMJNZLQRCENJ-PEBXRYMYSA-N 1 0 387.343 2.677 20 0 GFADRO [NH3+]C[C@H](NC(=O)c1ccc(NC(=O)CSc2cccs2)cc1)C1CC1 ZINC000237919877 553084110 /nfs/dbraw/zinc/08/41/10/553084110.db2.gz XCXGSOXKYJMDPP-HNNXBMFYSA-N 1 0 375.519 2.946 20 0 GFADRO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)c1cnn(-c2ccc(Br)cc2)c1 ZINC000237993346 553084536 /nfs/dbraw/zinc/08/45/36/553084536.db2.gz UVSJZRQHHUGJEB-WBMJQRKESA-N 1 0 377.286 2.882 20 0 GFADRO [NH3+]CCCCNC(=O)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000238015423 553085011 /nfs/dbraw/zinc/08/50/11/553085011.db2.gz GBSIAGJIEWPADP-UHFFFAOYSA-N 1 0 378.826 2.825 20 0 GFADRO [NH3+]C[C@H]1CCCN1C(=O)c1nn(-c2cccc(Br)c2)c2c1CCC2 ZINC000238056925 553085873 /nfs/dbraw/zinc/08/58/73/553085873.db2.gz RRTKZYVACOOQEX-CQSZACIVSA-N 1 0 389.297 2.687 20 0 GFADRO O[C@H](C[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2)COc1ccccc1Br ZINC000245834545 553097732 /nfs/dbraw/zinc/09/77/32/553097732.db2.gz CENJCCMACWOBBZ-DLTLXFJOSA-N 1 0 382.298 2.736 20 0 GFADRO O=C(NCC[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2)c1cccc(Br)c1 ZINC000245873258 553098612 /nfs/dbraw/zinc/09/86/12/553098612.db2.gz JTBRGDAWIJMKPY-ARFHVFGLSA-N 1 0 379.298 2.726 20 0 GFADRO C[C@@H]1Cc2cc(S(=O)(=O)N3CC[C@@H](C[NH+]4CCCC4)C3)cc(Cl)c2O1 ZINC000246130866 553102824 /nfs/dbraw/zinc/10/28/24/553102824.db2.gz BOFBKBRKRBWFPB-KGLIPLIRSA-N 1 0 384.929 2.770 20 0 GFADRO CC[C@H](C)[C@H](NC(=O)C[NH2+][C@H](C)c1ccc(Br)cc1)C(=O)OC ZINC000246198514 553104167 /nfs/dbraw/zinc/10/41/67/553104167.db2.gz UWJIWAAAQVAPQH-OZVIIMIRSA-N 1 0 385.302 2.804 20 0 GFADRO CN(Cc1cc(Br)cs1)C(=O)C[N@H+](C)C[C@H]1CCC[C@H]1O ZINC000246252415 553105342 /nfs/dbraw/zinc/10/53/42/553105342.db2.gz GTSYXHABDTXKCW-BXUZGUMPSA-N 1 0 375.332 2.562 20 0 GFADRO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)[C@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1 ZINC000246278109 553105984 /nfs/dbraw/zinc/10/59/84/553105984.db2.gz MHHMBTUAVAMEOR-VBNZEHGJSA-N 1 0 384.307 2.842 20 0 GFADRO O=C1CCCN1C[C@H](O)C[N@@H+]1CCC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000246320988 553106527 /nfs/dbraw/zinc/10/65/27/553106527.db2.gz COAODJZNHAWRCV-HIFRSBDPSA-N 1 0 387.307 2.820 20 0 GFADRO CCN1CC[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H](O)COc1ccc(Br)cc1 ZINC000246551380 553110089 /nfs/dbraw/zinc/11/00/89/553110089.db2.gz UDNLWCFJLLKDLQ-IXDOHACOSA-N 1 0 383.330 2.747 20 0 GFADRO C[C@H](Cn1cc(Br)cn1)[NH2+][C@@H]1C[C@@H](C)N(c2ccccc2)C1=O ZINC000246586346 553110320 /nfs/dbraw/zinc/11/03/20/553110320.db2.gz YYYPXIBQFIYPON-XJKCOSOUSA-N 1 0 377.286 2.818 20 0 GFADRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C[C@@H]1Sc2ccc(Cl)cc2NC1=O ZINC000246771111 553112861 /nfs/dbraw/zinc/11/28/61/553112861.db2.gz LCOMIBFCXPCNJO-WBMJQRKESA-N 1 0 381.929 2.943 20 0 GFADRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N[C@H](CO)c2cccc(Br)c2)C1 ZINC000247292777 553120703 /nfs/dbraw/zinc/12/07/03/553120703.db2.gz UFWKHZUMPFYDAL-WMLDXEAASA-N 1 0 398.345 2.760 20 0 GFADRO CC[C@@H]1CN([C@H](C)C(=O)Nc2cccc(Br)c2)CC[N@@H+]1C[C@H](C)O ZINC000247560170 553123827 /nfs/dbraw/zinc/12/38/27/553123827.db2.gz FXFLREBAURKDFV-JJRVBVJISA-N 1 0 398.345 2.553 20 0 GFADRO COCCOC[C@@H]1CC[N@H+](CC(=O)N[C@@H](C)c2ccc(Br)cc2)C1 ZINC000247640752 553124568 /nfs/dbraw/zinc/12/45/68/553124568.db2.gz SVVWRVVUGVIYJM-LSDHHAIUSA-N 1 0 399.329 2.611 20 0 GFADRO C[N@H+](CCCO)C1CCN(C(=O)[C@H]2C[C@H]2c2ccc(Br)cc2)CC1 ZINC000247920935 553126742 /nfs/dbraw/zinc/12/67/42/553126742.db2.gz BRYNMHAHUSVGBP-ROUUACIJSA-N 1 0 395.341 2.858 20 0 GFADRO C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@@H](C)c2cccc(Br)c2)C[C@H]1C ZINC000248626059 553131781 /nfs/dbraw/zinc/13/17/81/553131781.db2.gz ODDHXKFQDMUYRP-RDBSUJKOSA-N 1 0 384.318 2.607 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)C[C@@H](NC(C)=O)c1ccc(Br)cc1 ZINC000248782988 553135085 /nfs/dbraw/zinc/13/50/85/553135085.db2.gz WUPLKLFCLRVTBG-IAGOWNOFSA-N 1 0 396.329 2.617 20 0 GFADRO COC(=O)c1cccc(NC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)c1Br ZINC000249093717 553139004 /nfs/dbraw/zinc/13/90/04/553139004.db2.gz TVUIGJTWJBCJJM-RYUDHWBXSA-N 1 0 396.285 2.936 20 0 GFADRO Cc1cc(Br)cc(NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000249130625 553139410 /nfs/dbraw/zinc/13/94/10/553139410.db2.gz CZWABTMPIOWUNJ-SWLSCSKDSA-N 1 0 382.302 2.637 20 0 GFADRO C[C@H](Oc1cccc(Br)c1)C(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C ZINC000249377864 553142362 /nfs/dbraw/zinc/14/23/62/553142362.db2.gz OMLDXUXIFZCYNY-KGLIPLIRSA-N 1 0 399.329 2.520 20 0 GFADRO C[C@H](Oc1cccc(Br)c1)C(=O)N1CC[N@H+](CC(C)(C)O)C[C@@H]1C ZINC000249377862 553142485 /nfs/dbraw/zinc/14/24/85/553142485.db2.gz OMLDXUXIFZCYNY-KBPBESRZSA-N 1 0 399.329 2.520 20 0 GFADRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000249400556 553142669 /nfs/dbraw/zinc/14/26/69/553142669.db2.gz SMNIVEPCQFXYGZ-UONOGXRCSA-N 1 0 391.339 2.510 20 0 GFADRO Cc1cc(F)c(Br)cc1S(=O)(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000249392572 553142709 /nfs/dbraw/zinc/14/27/09/553142709.db2.gz BTIBCVOBODRUPS-WDEREUQCSA-N 1 0 379.295 2.645 20 0 GFADRO COc1ccc(S(=O)(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)cn1 ZINC000249449150 553143431 /nfs/dbraw/zinc/14/34/31/553143431.db2.gz FXLILMUXBUMBAB-GUYCJALGSA-N 1 0 381.523 2.513 20 0 GFADRO CN1CCO[C@@H](C(=O)N[C@H](CC2CC2)c2cc(F)cc(Br)c2)C1 ZINC000249519432 553144335 /nfs/dbraw/zinc/14/43/35/553144335.db2.gz UHZBUULAHMXNAT-HZPDHXFCSA-N 1 0 385.277 2.876 20 0 GFADRO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000249628279 553145044 /nfs/dbraw/zinc/14/50/44/553145044.db2.gz UNYMMBQFBPQZQD-MELADBBJSA-N 1 0 390.933 2.502 20 0 GFADRO CC(=O)NC[C@@H]1CCC[N@H+](C[C@@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000249804819 553146067 /nfs/dbraw/zinc/14/60/67/553146067.db2.gz FENKLGDDEYWIFJ-DZGCQCFKSA-N 1 0 375.296 2.581 20 0 GFADRO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)c1cncc(Br)c1 ZINC000252444726 553149835 /nfs/dbraw/zinc/14/98/35/553149835.db2.gz ZTHBEHVEDDKJBZ-CXAGYDPISA-N 1 0 389.297 2.880 20 0 GFADRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)c3cc(=O)[nH]c4c(Br)cccc34)C[C@H]12 ZINC000253559693 553151745 /nfs/dbraw/zinc/15/17/45/553151745.db2.gz BGONGMCHKXNOCP-DUFXMDAXSA-N 1 0 376.254 2.512 20 0 GFADRO C[C@@]1(C[NH3+])CCN(C(=O)c2ccc(I)c(Cl)c2)C1 ZINC000261587130 553153637 /nfs/dbraw/zinc/15/36/37/553153637.db2.gz UVXPKNXJNKSSDQ-ZDUSSCGKSA-N 1 0 378.641 2.756 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000261377190 553153309 /nfs/dbraw/zinc/15/33/09/553153309.db2.gz XWPOKVXOLSAQKV-ZIAGYGMSSA-N 1 0 384.307 2.947 20 0 GFADRO C[NH2+][C@H](C)Cc1noc([C@H]2CC(=O)N(c3ccc(Br)c(C)c3)C2)n1 ZINC000261605905 553154090 /nfs/dbraw/zinc/15/40/90/553154090.db2.gz ACZZESYIOGSBDA-NEPJUHHUSA-N 1 0 393.285 2.811 20 0 GFADRO [NH3+][C@@H]1CCC[C@H]2CN(S(=O)(=O)c3c(Cl)cccc3Br)C[C@H]21 ZINC000261696494 553156707 /nfs/dbraw/zinc/15/67/07/553156707.db2.gz NUMXKLALVRDTKH-OPQQBVKSSA-N 1 0 393.734 2.850 20 0 GFADRO C[C@]1(C[NH3+])CCN(C(=O)c2nn(-c3ccc(F)cc3)cc2Br)C1 ZINC000261757578 553158686 /nfs/dbraw/zinc/15/86/86/553158686.db2.gz FBJUBAHWUMBTCO-MRXNPFEDSA-N 1 0 381.249 2.585 20 0 GFADRO COCC1(CNC(=O)C(C)(C)c2cccc(Br)c2)CC[NH2+]CC1 ZINC000261770698 553158783 /nfs/dbraw/zinc/15/87/83/553158783.db2.gz RHQTTWVJPNBRKU-UHFFFAOYSA-N 1 0 383.330 2.859 20 0 GFADRO C[C@@H](COCC(F)(F)F)NC(=O)[C@](C)([NH3+])c1ccc(Br)cc1 ZINC000261808217 553159647 /nfs/dbraw/zinc/15/96/47/553159647.db2.gz RQWBZUNGCDJCCP-TVQRCGJNSA-N 1 0 383.208 2.707 20 0 GFADRO C[NH2+][C@@H](C)CNC(=O)[C@H](CCSC)NC(=O)c1ccc(Cl)cc1Cl ZINC000261799047 553159895 /nfs/dbraw/zinc/15/98/95/553159895.db2.gz RQFBPZSTRCPWDQ-HZMBPMFUSA-N 1 0 392.352 2.569 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CCCN(Cc2ccc(Br)cc2N2CCOCC2)C1 ZINC000261796072 553159999 /nfs/dbraw/zinc/15/99/99/553159999.db2.gz GOXGTVPYCUKEBU-HUUCEWRRSA-N 1 0 382.346 2.845 20 0 GFADRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)c1ccc(I)cc1Cl ZINC000261841241 553160398 /nfs/dbraw/zinc/16/03/98/553160398.db2.gz PCQISORFMHSFSB-DTWKUNHWSA-N 1 0 378.641 2.754 20 0 GFADRO O=C(Nc1ccc(N2CC[NH2+]CC2)cn1)c1ccc(Br)c(F)c1 ZINC000261845547 553160901 /nfs/dbraw/zinc/16/09/01/553160901.db2.gz IZKCBDKRHYDLNY-UHFFFAOYSA-N 1 0 379.233 2.645 20 0 GFADRO COC(=O)C[C@@H](NC(=O)CC[C@@H]1CC[NH2+]C1)c1cccc(Br)c1 ZINC000261861448 553160911 /nfs/dbraw/zinc/16/09/11/553160911.db2.gz OUBQPXIULSVIHE-IUODEOHRSA-N 1 0 383.286 2.559 20 0 GFADRO Nc1ncc(C[N@@H+]2CCC[C@@H](C(=O)Nc3ccc(Br)cn3)C2)s1 ZINC000261884144 553161625 /nfs/dbraw/zinc/16/16/25/553161625.db2.gz ROOUKZVOMJXAFP-SNVBAGLBSA-N 1 0 396.314 2.734 20 0 GFADRO Cc1ccc(Br)c(S(=O)(=O)N(CC[NH3+])CCc2ccccc2)c1 ZINC000261952902 553163637 /nfs/dbraw/zinc/16/36/37/553163637.db2.gz GDWYCGCCKBZJMW-UHFFFAOYSA-N 1 0 397.338 2.950 20 0 GFADRO CC(C)(C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccccc1Cl ZINC000262029875 553164573 /nfs/dbraw/zinc/16/45/73/553164573.db2.gz PGENTJNPHKTRMG-AWEZNQCLSA-N 1 0 377.838 2.570 20 0 GFADRO C[C@@H](NS(=O)(=O)c1cccc(Br)c1Cl)[C@@H]1CCC[NH2+]C1 ZINC000262097259 553165805 /nfs/dbraw/zinc/16/58/05/553165805.db2.gz SKHJPIOZCVHGML-NXEZZACHSA-N 1 0 381.723 2.769 20 0 GFADRO C[C@H](Sc1cc(Cl)ccc1Cl)C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000262130628 553166469 /nfs/dbraw/zinc/16/64/69/553166469.db2.gz WTBNKIYFCDVKFX-GXTWGEPZSA-N 1 0 388.364 2.980 20 0 GFADRO CCC[C@@](C)([NH3+])C(=O)N[C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000262174271 553166805 /nfs/dbraw/zinc/16/68/05/553166805.db2.gz XZJPYSLPDJCQKK-IAQYHMDHSA-N 1 0 378.826 2.966 20 0 GFADRO C[C@@H](C[NH3+])C(=O)N1CCC[C@H]1c1nc(Cc2ccc(Br)cc2)no1 ZINC000262188962 553166919 /nfs/dbraw/zinc/16/69/19/553166919.db2.gz LULPOSQRJMVQRT-FZMZJTMJSA-N 1 0 393.285 2.681 20 0 GFADRO C[C@H]1C[C@@H](C(=O)N2CCN(C(=O)c3c(Cl)cccc3Cl)CC2)CC[NH2+]1 ZINC000262348391 553169239 /nfs/dbraw/zinc/16/92/39/553169239.db2.gz GXGATJHFKREXDM-STQMWFEESA-N 1 0 384.307 2.666 20 0 GFADRO CC[NH2+][C@H](C)CNC(=O)[C@H](C)SCc1nc2sc(C)c(C)c2c(=O)[nH]1 ZINC000262368726 553169689 /nfs/dbraw/zinc/16/96/89/553169689.db2.gz LPJMRHAVOWYHNE-SKDRFNHKSA-N 1 0 382.555 2.750 20 0 GFADRO COc1ccc(Br)cc1S(=O)(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000262399851 553170188 /nfs/dbraw/zinc/17/01/88/553170188.db2.gz CDPMXOWBZZUPAJ-CQSZACIVSA-N 1 0 391.331 2.514 20 0 GFADRO O=C([C@@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262624181 553173370 /nfs/dbraw/zinc/17/33/70/553173370.db2.gz KDDYDIUCDZHPLB-DFBGVHRSSA-N 1 0 382.291 2.699 20 0 GFADRO Cc1c(C(=O)NCCc2cccc(Cl)c2Cl)nnn1C1CC[NH2+]CC1 ZINC000262628797 553173420 /nfs/dbraw/zinc/17/34/20/553173420.db2.gz SBQLOCDKHQZRMK-UHFFFAOYSA-N 1 0 382.295 2.790 20 0 GFADRO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)Cc1csc(NC(=O)c2cccs2)n1 ZINC000262627264 553173484 /nfs/dbraw/zinc/17/34/84/553173484.db2.gz LXAXTPUOBDNBFU-YPMHNXCESA-N 1 0 378.523 2.633 20 0 GFADRO CCOc1ccc(S(=O)(=O)N2CCCC[C@@H]2[C@H](C)[NH3+])cc1Br ZINC000262730038 553174711 /nfs/dbraw/zinc/17/47/11/553174711.db2.gz CSVIFNSGABNAQD-SMDDNHRTSA-N 1 0 391.331 2.738 20 0 GFADRO C[C@H]1[NH2+]CCN(S(=O)(=O)c2cc(Cl)c(Br)cc2F)[C@H]1C ZINC000262764663 553175128 /nfs/dbraw/zinc/17/51/28/553175128.db2.gz KJSXXNDDXZGNNE-SFYZADRCSA-N 1 0 385.686 2.613 20 0 GFADRO CO[C@H](C[NH3+])CC(=O)Nc1ccc(Cl)c(C(=O)NCc2cccs2)c1 ZINC000262761095 553175149 /nfs/dbraw/zinc/17/51/49/553175149.db2.gz FUUFSRKSMMAABJ-LBPRGKRZSA-N 1 0 381.885 2.634 20 0 GFADRO CCOc1ccc(Br)cc1CN(C(=O)C[C@@H](C[NH3+])OC)C1CC1 ZINC000262766274 553175152 /nfs/dbraw/zinc/17/51/52/553175152.db2.gz HHZFQUGOPXAZAH-HNNXBMFYSA-N 1 0 385.302 2.703 20 0 GFADRO O=S(=O)(NC1CC[NH2+]CC1)c1cc(Br)c(Cl)cc1Cl ZINC000262747068 553175206 /nfs/dbraw/zinc/17/52/06/553175206.db2.gz FBGMNNBJFSUAIY-UHFFFAOYSA-N 1 0 388.114 2.786 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000262784549 553175493 /nfs/dbraw/zinc/17/54/93/553175493.db2.gz CNTKLCKXBYJBQH-KFWWJZLASA-N 1 0 384.567 2.608 20 0 GFADRO O=C(Nc1ccc(I)cc1)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000262859474 553177158 /nfs/dbraw/zinc/17/71/58/553177158.db2.gz WFXLDBNLKVSFAG-CYBMUJFWSA-N 1 0 396.232 2.665 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)CCc2nc(-c3cc(Br)cs3)no2)CC[NH2+]1 ZINC000262870150 553177710 /nfs/dbraw/zinc/17/77/10/553177710.db2.gz MGNDQYFGFIRCDE-KOLCDFICSA-N 1 0 399.314 2.750 20 0 GFADRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)c1ccc(I)c(Cl)c1 ZINC000262891003 553177956 /nfs/dbraw/zinc/17/79/56/553177956.db2.gz WWEFJHJRSNVFMQ-QPUJVOFHSA-N 1 0 378.641 2.672 20 0 GFADRO CCc1c(NC(=O)C[C@@H](C[NH3+])OC)n[nH]c1-c1ccc(Br)cc1 ZINC000262913358 553178332 /nfs/dbraw/zinc/17/83/32/553178332.db2.gz QXMSVTSOSAFTDA-LBPRGKRZSA-N 1 0 381.274 2.704 20 0 GFADRO O=C(CCC1CC[NH2+]CC1)NCc1cc(Br)c2c(c1)OCCO2 ZINC000262946822 553179697 /nfs/dbraw/zinc/17/96/97/553179697.db2.gz JGKXXGXYBROHSY-UHFFFAOYSA-N 1 0 383.286 2.616 20 0 GFADRO C[NH+](C)CCCCNC(=O)C1(c2ccc(Br)cc2)CCOCC1 ZINC000263651812 553190284 /nfs/dbraw/zinc/19/02/84/553190284.db2.gz DTZFUMWUBOAWGQ-UHFFFAOYSA-N 1 0 383.330 2.955 20 0 GFADRO CC(C)OC[C@@H](O)C[NH+]1CCC(C(=O)Nc2cccc(Br)c2)CC1 ZINC000263695285 553191228 /nfs/dbraw/zinc/19/12/28/553191228.db2.gz PUDKXOKYNHCJBX-KRWDZBQOSA-N 1 0 399.329 2.886 20 0 GFADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCC(C(=O)Nc2ccccc2Br)CC1 ZINC000263689381 553191372 /nfs/dbraw/zinc/19/13/72/553191372.db2.gz GUJRHCLAHWRUKK-MRXNPFEDSA-N 1 0 394.313 2.720 20 0 GFADRO C[C@H]1C[NH+](CC2CCN(C(=O)c3cncc(Br)c3)CC2)C[C@H](C)O1 ZINC000263783943 553193650 /nfs/dbraw/zinc/19/36/50/553193650.db2.gz OOHLLSGKQVRGFO-KBPBESRZSA-N 1 0 396.329 2.806 20 0 GFADRO C[C@H]1CCN(C(=O)NCc2cc(F)c(F)cc2Br)[C@@H](C[NH3+])C1 ZINC000418173349 563900820 /nfs/dbraw/zinc/90/08/20/563900820.db2.gz BSDYJMIKUZZTMW-GXSJLCMTSA-N 1 0 376.245 2.996 20 0 GFADRO CS(=O)(=O)N1CCC[C@H]([NH2+][C@H]2CCc3c2ccc(F)c3Br)C1 ZINC000449098307 563906846 /nfs/dbraw/zinc/90/68/46/563906846.db2.gz IPHHKZUCPSQCJX-HZMBPMFUSA-N 1 0 391.306 2.589 20 0 GFADRO COC1(C[NH2+]C[C@H](CO)Cc2ccc(F)c(Br)c2)CCOCC1 ZINC000449686542 564196585 /nfs/dbraw/zinc/19/65/85/564196585.db2.gz XEYBXVGFFLUSMG-CQSZACIVSA-N 1 0 390.293 2.524 20 0 GFADRO CC(C)N(Cc1ccc(Br)cc1)C(=O)NCCOCC[NH+](C)C ZINC000471663452 564201143 /nfs/dbraw/zinc/20/11/43/564201143.db2.gz IMLXTLZDVDQNHK-UHFFFAOYSA-N 1 0 386.334 2.947 20 0 GFADRO C[N@H+](C[C@@H](O)CN1CCOc2cc(Br)c(Cl)cc21)C1CC1 ZINC000563918948 564212840 /nfs/dbraw/zinc/21/28/40/564212840.db2.gz JOKIEWKYFDKBBM-LLVKDONJSA-N 1 0 375.694 2.756 20 0 GFADRO C[C@H]1C[C@H](NC(=O)c2ccc(I)cc2F)C[N@@H+]1C1CC1 ZINC000450074558 564216131 /nfs/dbraw/zinc/21/61/31/564216131.db2.gz LPRPZJVWUFYKBL-ONGXEEELSA-N 1 0 388.224 2.785 20 0 GFADRO COC[C@@]1(C)CC[N@H+](C[C@@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000451200580 564286483 /nfs/dbraw/zinc/28/64/83/564286483.db2.gz HYTKOZAMLKDLSO-ZBFHGGJFSA-N 1 0 376.266 2.686 20 0 GFADRO COCCOc1ccc(Br)cc1NC(=O)N[C@H](C)CC[NH+](C)C ZINC000480942720 564496692 /nfs/dbraw/zinc/49/66/92/564496692.db2.gz QQUAELXCTAYXOM-GFCCVEGCSA-N 1 0 388.306 2.936 20 0 GFADRO O=C(CCC[S@@](=O)c1ccc(Br)cc1)NCC[C@H]1CCC[NH2+]1 ZINC000516866403 564514232 /nfs/dbraw/zinc/51/42/32/564514232.db2.gz VNFPSKARDLDZEI-JLCFBVMHSA-N 1 0 387.343 2.595 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCOC[C@H]1C)C(=O)Nc1cccc(I)c1 ZINC000278039888 563237430 /nfs/dbraw/zinc/23/74/30/563237430.db2.gz XLWBGNOCEVHSTO-UHIISALHSA-N 1 0 388.249 2.633 20 0 GFADRO CC[C@@H](C(=O)NCc1c(Br)cncc1Br)[NH+](C)C ZINC000295589114 563254832 /nfs/dbraw/zinc/25/48/32/563254832.db2.gz DFBUOOLYUAZPRD-NSHDSACASA-N 1 0 379.096 2.563 20 0 GFADRO Cc1cc(Br)c(C(=O)NC[C@](C)(O)CC[NH+](C)C)cc1Cl ZINC000420005919 563255943 /nfs/dbraw/zinc/25/59/43/563255943.db2.gz YCVPGKNBHZIXAR-OAHLLOKOSA-N 1 0 377.710 2.843 20 0 GFADRO CS(=O)(=O)CCCC[NH2+]Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000424175242 563372737 /nfs/dbraw/zinc/37/27/37/563372737.db2.gz TYBRVULRMPJZGA-UHFFFAOYSA-N 1 0 386.315 2.549 20 0 GFADRO CC(C)[N@H+](C)C[C@H](C)NC(=O)c1ccc(F)cc1I ZINC000311435021 563435919 /nfs/dbraw/zinc/43/59/19/563435919.db2.gz NXJVCKUUEGJNOP-JTQLQIEISA-N 1 0 378.229 2.889 20 0 GFADRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1Cc1ncc(I)s1 ZINC000377705250 563484214 /nfs/dbraw/zinc/48/42/14/563484214.db2.gz YYWNILBGOBNNCH-WDEREUQCSA-N 1 0 377.295 2.806 20 0 GFADRO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)Nc1ccc(Br)cc1C(F)(F)F ZINC000429127775 563510137 /nfs/dbraw/zinc/51/01/37/563510137.db2.gz DDFYXIQAMYZZFI-JTQLQIEISA-N 1 0 396.207 2.506 20 0 GFADRO C[C@H]([NH3+])[C@H](C)NC(=O)c1cc(Br)ccc1I ZINC000381591390 563516511 /nfs/dbraw/zinc/51/65/11/563516511.db2.gz LNBDLPUPKHWHHS-BQBZGAKWSA-N 1 0 397.054 2.519 20 0 GFADRO COCC[NH2+]CCNC(=O)N[C@@H]1c2cccc(Br)c2CC1(C)C ZINC000418219122 563214153 /nfs/dbraw/zinc/21/41/53/563214153.db2.gz REDYVPHVMZTPDB-OAHLLOKOSA-N 1 0 384.318 2.608 20 0 GFADRO O=C(N[C@@H]1CC[NH2+]C1)N[C@@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC000418219368 563214212 /nfs/dbraw/zinc/21/42/12/563214212.db2.gz NFVAFAKHPBOIDZ-IAQYHMDHSA-N 1 0 377.286 2.969 20 0 GFADRO O=C(NCCc1ccc(Br)cc1Cl)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000418237713 563214309 /nfs/dbraw/zinc/21/43/09/563214309.db2.gz WFCONWYIKDBADL-QWHCGFSZSA-N 1 0 386.721 2.896 20 0 GFADRO C[NH+](C)[C@@H]1CCc2ccccc2[C@@H]1NS(=O)(=O)Cc1ccc(Cl)nc1 ZINC000369465855 563214802 /nfs/dbraw/zinc/21/48/02/563214802.db2.gz FSOHTINXUFDKHI-AEFFLSMTSA-N 1 0 379.913 2.772 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)NCc2nc3c(cccc3Br)[nH]2)C1 ZINC000418275166 563214908 /nfs/dbraw/zinc/21/49/08/563214908.db2.gz YSKXHEVLGSYLCG-QWRGUYRKSA-N 1 0 380.290 2.594 20 0 GFADRO O=C(NCCCN1CC[NH2+]CC1)N(Cc1ccc(Cl)c(Cl)c1)C1CC1 ZINC000418288246 563215793 /nfs/dbraw/zinc/21/57/93/563215793.db2.gz MGRLJGLZXUNSIG-UHFFFAOYSA-N 1 0 385.339 2.963 20 0 GFADRO O=S(=O)(c1c(F)c(F)c(F)c(F)c1F)N1CCC[C@@H]2C[NH2+]CCC[C@H]21 ZINC000369535525 563216118 /nfs/dbraw/zinc/21/61/18/563216118.db2.gz BIBNRMBIPZJKIL-RKDXNWHRSA-N 1 0 384.370 2.535 20 0 GFADRO O=S(=O)(c1c(F)c(F)c(F)c(F)c1F)N1CCC[C@H]2C[NH2+]CCC[C@H]21 ZINC000369535521 563216285 /nfs/dbraw/zinc/21/62/85/563216285.db2.gz BIBNRMBIPZJKIL-DTWKUNHWSA-N 1 0 384.370 2.535 20 0 GFADRO C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)NC[C@@H]2CCC[NH2+]2)CC1 ZINC000418361773 563216391 /nfs/dbraw/zinc/21/63/91/563216391.db2.gz HDKVEXVWUUWYIV-PBHICJAKSA-N 1 0 395.345 2.589 20 0 GFADRO C[NH2+]C[C@H](C)CNC(=O)N1CCO[C@@H](c2ccc(Br)cc2)[C@@H]1C ZINC000418392917 563216488 /nfs/dbraw/zinc/21/64/88/563216488.db2.gz QHEBNHPXALBFRE-HEHGZKQESA-N 1 0 384.318 2.776 20 0 GFADRO [NH3+]C[C@@H](NC(=O)NCC(=O)Nc1cccc(Br)c1)C1CCCCC1 ZINC000418358509 563216681 /nfs/dbraw/zinc/21/66/81/563216681.db2.gz ILCZLXLXHJGBMR-OAHLLOKOSA-N 1 0 397.317 2.594 20 0 GFADRO [NH3+][C@H](CNC(=O)N1CCC(n2cc(Br)cn2)CC1)c1ccccc1 ZINC000418458902 563217754 /nfs/dbraw/zinc/21/77/54/563217754.db2.gz XQCWIVLBLFWVNY-MRXNPFEDSA-N 1 0 392.301 2.692 20 0 GFADRO [NH3+]C[C@@H](NC(=O)N1CCC(Oc2cccc(Br)c2)CC1)C1CC1 ZINC000418467328 563218140 /nfs/dbraw/zinc/21/81/40/563218140.db2.gz OKNZDXFXBBVQBO-MRXNPFEDSA-N 1 0 382.302 2.739 20 0 GFADRO CC[C@H](Cc1ccccc1Br)N(C)C(=O)NCC[NH2+]CCOC ZINC000418510823 563218825 /nfs/dbraw/zinc/21/88/25/563218825.db2.gz QLWVSAUZYQBWEC-OAHLLOKOSA-N 1 0 386.334 2.648 20 0 GFADRO CC[C@H](c1ccc(Br)cc1)N1CCN(C(=O)N[C@H](C)C[NH3+])CC1 ZINC000418516897 563219175 /nfs/dbraw/zinc/21/91/75/563219175.db2.gz UBAUHSYVIBOIML-CZUORRHYSA-N 1 0 383.334 2.575 20 0 GFADRO [NH3+]CCCCNC(=O)N1CCC[C@H]1c1ccccc1I ZINC000418534866 563219393 /nfs/dbraw/zinc/21/93/93/563219393.db2.gz XYPYGJLJRYEYNC-AWEZNQCLSA-N 1 0 387.265 2.877 20 0 GFADRO COCCN(Cc1sccc1Br)C(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000418573789 563220069 /nfs/dbraw/zinc/22/00/69/563220069.db2.gz LOUSHWMNPQGDCM-YPMHNXCESA-N 1 0 390.347 2.667 20 0 GFADRO COCCN(Cc1sccc1Br)C(=O)N[C@@H]1CCC[NH2+][C@H]1C ZINC000418573971 563220291 /nfs/dbraw/zinc/22/02/91/563220291.db2.gz RHLYLEJYJNXTNB-WCQYABFASA-N 1 0 390.347 2.809 20 0 GFADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1CC(=O)N(C)Cc1ccc(Cl)s1 ZINC000369643166 563220406 /nfs/dbraw/zinc/22/04/06/563220406.db2.gz YOUCDZNHOMNMRS-CQSZACIVSA-N 1 0 385.961 2.545 20 0 GFADRO C[C@@H]1C[N@H+](CCCNC(=O)N2Cc3cccc(Br)c3C2)CCCO1 ZINC000277683343 563220605 /nfs/dbraw/zinc/22/06/05/563220605.db2.gz NDTJGQBANNNPCO-CQSZACIVSA-N 1 0 396.329 2.975 20 0 GFADRO [NH3+][C@H]1CCC[C@@H](NC(=O)NCc2noc(-c3cccc(Br)c3)n2)C1 ZINC000418584245 563220639 /nfs/dbraw/zinc/22/06/39/563220639.db2.gz OCKXINVPGOGSGU-QWHCGFSZSA-N 1 0 394.273 2.568 20 0 GFADRO CCN(CCOc1ccc(Br)cc1)C(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000418599686 563220859 /nfs/dbraw/zinc/22/08/59/563220859.db2.gz JQIUEWGRLKXULR-UKRRQHHQSA-N 1 0 384.318 3.000 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)NC(C)(C)COc2ncc(Cl)cc2Cl)CC[NH2+]1 ZINC000418591633 563220905 /nfs/dbraw/zinc/22/09/05/563220905.db2.gz CQBHPPJYCZEDKV-ZYHUDNBSSA-N 1 0 375.300 2.986 20 0 GFADRO COCC1(CNC(=O)N2CCc3c(Br)cccc3C2)CC[NH2+]CC1 ZINC000418642244 563221397 /nfs/dbraw/zinc/22/13/97/563221397.db2.gz RCYHMYJKVAQUAR-UHFFFAOYSA-N 1 0 396.329 2.533 20 0 GFADRO [NH3+]C[C@H](NC(=O)N[C@@H](CCO)c1ccccc1Br)C1CCCC1 ZINC000418622681 563221536 /nfs/dbraw/zinc/22/15/36/563221536.db2.gz NNVTUWKVPOKEQB-HOTGVXAUSA-N 1 0 384.318 2.689 20 0 GFADRO C[C@H](CCC[NH3+])NC(=O)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000418685429 563221957 /nfs/dbraw/zinc/22/19/57/563221957.db2.gz DHNFCWSZISXNPB-GFCCVEGCSA-N 1 0 387.311 2.588 20 0 GFADRO CC[C@H]([NH3+])CNC(=O)N1CCC(C(=O)Nc2ccccc2Br)CC1 ZINC000418706143 563223038 /nfs/dbraw/zinc/22/30/38/563223038.db2.gz FHMPAQTYFRWKHO-ZDUSSCGKSA-N 1 0 397.317 2.547 20 0 GFADRO C[C@H]([NH3+])[C@H](C)NC(=O)N[C@H](CO)c1ccc(Br)cc1C(F)(F)F ZINC000418732579 563223463 /nfs/dbraw/zinc/22/34/63/563223463.db2.gz UWKCFWPWIDMFRU-YVZVNANGSA-N 1 0 398.223 2.536 20 0 GFADRO O=C(N[C@H]1C[NH2+]CCC1(F)F)N1CCc2c(F)ccc(Br)c2C1 ZINC000418745869 563224294 /nfs/dbraw/zinc/22/42/94/563224294.db2.gz HFYBZTROJURAEZ-ZDUSSCGKSA-N 1 0 392.219 2.653 20 0 GFADRO CN(C(=O)c1cc(F)c(F)cc1I)[C@H]1CCC[NH2+]CC1 ZINC000369751565 563224394 /nfs/dbraw/zinc/22/43/94/563224394.db2.gz YCZGRVPRJDWNDZ-VIFPVBQESA-N 1 0 394.203 2.784 20 0 GFADRO CC(C)[C@H]([NH3+])CNC(=O)C(=O)N[C@@H](c1cccs1)c1ccc(Cl)cc1 ZINC000418753564 563224557 /nfs/dbraw/zinc/22/45/57/563224557.db2.gz AWWZWLPSZFUTMZ-GDBMZVCRSA-N 1 0 379.913 2.707 20 0 GFADRO CC(C)(COc1ncc(Cl)cc1Cl)NC(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000418763987 563224992 /nfs/dbraw/zinc/22/49/92/563224992.db2.gz KJIQXBCLJGKATI-CMPLNLGQSA-N 1 0 375.300 2.972 20 0 GFADRO CSC1(CNC(=O)NC[C@@H]2CC[N@H+](C)[C@@H]2c2cccs2)CCOCC1 ZINC000369794049 563225155 /nfs/dbraw/zinc/22/51/55/563225155.db2.gz ZNSIYDAUDGHILX-HOCLYGCPSA-N 1 0 383.583 2.952 20 0 GFADRO O=C(N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)N1CCc2c(Br)cccc2C1 ZINC000418792106 563225697 /nfs/dbraw/zinc/22/56/97/563225697.db2.gz NJIIHSBWCLQOQF-AEGPPILISA-N 1 0 378.314 2.905 20 0 GFADRO Cc1nc2ccc(Br)cn2c1C(=O)N1CC[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000369860824 563227020 /nfs/dbraw/zinc/22/70/20/563227020.db2.gz DEHYHHYVBZGOMK-OCCSQVGLSA-N 1 0 377.286 2.571 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N[C@@H](C)c2cc(F)c(Cl)cc2Cl)C1 ZINC000418847959 563227081 /nfs/dbraw/zinc/22/70/81/563227081.db2.gz KJLLYQCZORKFPX-KXUCPTDWSA-N 1 0 376.259 2.505 20 0 GFADRO C[NH+](C)CCN1CCC(NC(=O)N2CCSC[C@@H]2c2cccs2)CC1 ZINC000369891394 563227274 /nfs/dbraw/zinc/22/72/74/563227274.db2.gz HHQAYBWNPPZSKJ-MRXNPFEDSA-N 1 0 382.599 2.574 20 0 GFADRO C[C@H](NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2)c1cc(F)c(Cl)cc1Cl ZINC000418847336 563227412 /nfs/dbraw/zinc/22/74/12/563227412.db2.gz JCQVTVVIJDDATP-AXFHLTTASA-N 1 0 388.270 2.663 20 0 GFADRO COCCC[N@@H+]1CCCN([C@@H](C)C(=O)Nc2ccc(Br)cc2)CC1 ZINC000369903729 563227778 /nfs/dbraw/zinc/22/77/78/563227778.db2.gz BGCJLPVBFFLATM-HNNXBMFYSA-N 1 0 398.345 2.820 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)C(=O)N[C@H]2C[C@H](c3ccc(Cl)c(Cl)c3)C2)CC[NH2+]1 ZINC000418897357 563229640 /nfs/dbraw/zinc/22/96/40/563229640.db2.gz XEKFLHRUVLBXAS-RUZUBIRVSA-N 1 0 384.307 2.612 20 0 GFADRO C[C@@H](NC(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1ccc(Cl)cc1Cl ZINC000418959474 563231457 /nfs/dbraw/zinc/23/14/57/563231457.db2.gz ZZVASPJKQZTGDS-NRWUCQMLSA-N 1 0 384.307 2.675 20 0 GFADRO C[C@H](NC(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1)c1cc(Cl)ccc1Cl ZINC000418954001 563231488 /nfs/dbraw/zinc/23/14/88/563231488.db2.gz MXDZRTXDGNLDNL-KHJVZFFJSA-N 1 0 384.307 2.756 20 0 GFADRO C[C@H](NC(=O)C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cc(Cl)ccc1Cl ZINC000418949125 563231765 /nfs/dbraw/zinc/23/17/65/563231765.db2.gz DVBKIGFUBYQNSA-RAQOOLMWSA-N 1 0 384.307 2.912 20 0 GFADRO C[C@H]1C[N@H+](CCCNC(=O)[C@@H](O)c2ccc(Cl)c(Cl)c2)CCCO1 ZINC000295154878 563231978 /nfs/dbraw/zinc/23/19/78/563231978.db2.gz NYSDUYUPTZCFEB-LRDDRELGSA-N 1 0 375.296 2.644 20 0 GFADRO C[C@@H]([NH3+])C1CCN(C(=O)C(=O)N[C@@H]2CCc3c2ccc(Cl)c3Cl)CC1 ZINC000419088467 563233015 /nfs/dbraw/zinc/23/30/15/563233015.db2.gz BHHWEBQYYUPQJF-MEBBXXQBSA-N 1 0 384.307 2.683 20 0 GFADRO CN(C(=O)C(=O)N[C@H]1CCc2c1ccc(Cl)c2Cl)[C@@H]1CCC[NH2+]CC1 ZINC000419111025 563233887 /nfs/dbraw/zinc/23/38/87/563233887.db2.gz ZQNIVPLKELGRQG-ABAIWWIYSA-N 1 0 384.307 2.697 20 0 GFADRO C[C@@H]([NH2+][C@H]1CCN(CCN2CCOCC2)C1)c1ccc(Br)cc1 ZINC000370115559 563234108 /nfs/dbraw/zinc/23/41/08/563234108.db2.gz XZYUZOKYJLQTFW-QAPCUYQASA-N 1 0 382.346 2.506 20 0 GFADRO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)NCC1(c2c(Cl)cccc2Cl)CCC1 ZINC000419168338 563234560 /nfs/dbraw/zinc/23/45/60/563234560.db2.gz FBYYAYUDYXKADJ-AWEZNQCLSA-N 1 0 386.323 2.631 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)c2c(Br)cnn2C)CC[N@@H+]1Cc1ccccc1 ZINC000295198892 563234924 /nfs/dbraw/zinc/23/49/24/563234924.db2.gz VVMZYPAOAKKVNX-UKRRQHHQSA-N 1 0 391.313 2.966 20 0 GFADRO C[C@@H]1CN(C[C@H](O)c2ccc(Cl)cc2Cl)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000370148674 563234993 /nfs/dbraw/zinc/23/49/93/563234993.db2.gz LWBVTIQZYZUARQ-ZMYBRWDISA-N 1 0 386.367 2.985 20 0 GFADRO CC[NH+](CC)Cc1ccc(CNC(=O)c2c(Br)cnn2C)cc1 ZINC000295206123 563235161 /nfs/dbraw/zinc/23/51/61/563235161.db2.gz PNRJSLJFBDZVRW-UHFFFAOYSA-N 1 0 379.302 2.954 20 0 GFADRO CO[C@@H](C[NH2+][C@H](C(N)=O)c1ccc(Br)cc1)Cc1ccccc1 ZINC000419213960 563235413 /nfs/dbraw/zinc/23/54/13/563235413.db2.gz JRDIJRGNQFROPP-SJORKVTESA-N 1 0 377.282 2.823 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCOC[C@H]1C)C(=O)Nc1ccc(I)cc1 ZINC000277986281 563235643 /nfs/dbraw/zinc/23/56/43/563235643.db2.gz UGFHKWCTNJMMCE-UHIISALHSA-N 1 0 388.249 2.633 20 0 GFADRO CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H]1CCSc2ccc(Cl)cc21 ZINC000419215200 563235667 /nfs/dbraw/zinc/23/56/67/563235667.db2.gz LSVMKQDPXMPMEC-UKRRQHHQSA-N 1 0 381.929 2.594 20 0 GFADRO O=C(NC[C@@H]1CCC[C@@H]1[NH+]1CCOCC1)c1c(F)cccc1Br ZINC000370160400 563235808 /nfs/dbraw/zinc/23/58/08/563235808.db2.gz GKGPKJMGRZVVTJ-WFASDCNBSA-N 1 0 385.277 2.819 20 0 GFADRO O=C(CC[NH+]1CCC(c2nnc[nH]2)CC1)Nc1ccccc1Br ZINC000370235131 563237237 /nfs/dbraw/zinc/23/72/37/563237237.db2.gz HRIIOHNXLBSVJH-UHFFFAOYSA-N 1 0 378.274 2.775 20 0 GFADRO C[C@@H]1CN(CCOc2ccc(Cl)cc2Br)[C@@H](C)C[N@@H+]1CCO ZINC000419317564 563237192 /nfs/dbraw/zinc/23/71/92/563237192.db2.gz AJUUZMGQWJPFMO-OLZOCXBDSA-N 1 0 391.737 2.868 20 0 GFADRO COc1ccc(Br)c(C(=O)NCCC[NH2+][C@@H]2C[C@@H](C)O[C@@H]2C)c1 ZINC000295248496 563238197 /nfs/dbraw/zinc/23/81/97/563238197.db2.gz UAXZXJLIDZVKCW-XHBSWPGZSA-N 1 0 385.302 2.733 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)NCC(C)(C)c2ccc(Cl)c(Cl)c2)C1 ZINC000419359619 563238699 /nfs/dbraw/zinc/23/86/99/563238699.db2.gz MIPMQZSQLZIWFI-NWDGAFQWSA-N 1 0 386.323 2.583 20 0 GFADRO COCCCC[N@H+](C)CC(=O)Nc1cccc(I)c1 ZINC000419383976 563239267 /nfs/dbraw/zinc/23/92/67/563239267.db2.gz LUPLQXKVLDQKPR-UHFFFAOYSA-N 1 0 376.238 2.588 20 0 GFADRO COCCO[C@@H]1C[C@H](CO)C[N@H+](CCOc2cc(Cl)cc(Cl)c2)C1 ZINC000278063204 563238954 /nfs/dbraw/zinc/23/89/54/563238954.db2.gz FQAAZNUTYIDOKS-SUMWQHHRSA-N 1 0 378.296 2.718 20 0 GFADRO CC(C)(CNC(=O)C(=O)N1CC[C@](C)(C[NH3+])C1)c1ccc(Cl)c(Cl)c1 ZINC000419368136 563239517 /nfs/dbraw/zinc/23/95/17/563239517.db2.gz YGMFQFPQKNQGPM-GOSISDBHSA-N 1 0 386.323 2.585 20 0 GFADRO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)N[C@H]1CCSc2ccc(Cl)cc21 ZINC000419412843 563240236 /nfs/dbraw/zinc/24/02/36/563240236.db2.gz ROSQCVJECZHZEZ-IOASZLSFSA-N 1 0 383.945 2.973 20 0 GFADRO CSCC[C@H]1NC(=S)N(C[C@]2(C)CC[N@H+](Cc3ccccc3)C2)C1=O ZINC000370310076 563240578 /nfs/dbraw/zinc/24/05/78/563240578.db2.gz XANQOEWAQSCNRN-VQIMIIECSA-N 1 0 377.579 2.737 20 0 GFADRO CC(C)n1cc([C@@H]2CN(Cc3cnc(Br)s3)C[C@H]2CO)cn1 ZINC000295316115 563241690 /nfs/dbraw/zinc/24/16/90/563241690.db2.gz LFTCQSFFLQYCQJ-JSGCOSHPSA-N 1 0 385.331 2.891 20 0 GFADRO CC[NH+](CC)[C@H](CNC(=O)Cc1cc[nH]c(=O)c1Br)c1ccco1 ZINC000278125149 563241824 /nfs/dbraw/zinc/24/18/24/563241824.db2.gz MDFVVXWTEFFCRB-CYBMUJFWSA-N 1 0 396.285 2.885 20 0 GFADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)Nc3ccc([S@@](=O)C(F)(F)F)cc3)[C@H]2C1 ZINC000370366532 563241882 /nfs/dbraw/zinc/24/18/82/563241882.db2.gz PZNVRSVBMVMBJU-FFAKIYQDSA-N 1 0 375.416 2.872 20 0 GFADRO CC(C)(CNC(=O)C(=O)N[C@@H]1CCC[C@H]1C[NH3+])c1c(Cl)cccc1Cl ZINC000419701248 563246743 /nfs/dbraw/zinc/24/67/43/563246743.db2.gz YYMJZGHCOCCOTA-SMDDNHRTSA-N 1 0 386.323 2.631 20 0 GFADRO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NCc1sc2ccc(Cl)cc2c1C ZINC000419713662 563247566 /nfs/dbraw/zinc/24/75/66/563247566.db2.gz SFMLYGQXKXGQNA-CYBMUJFWSA-N 1 0 379.913 2.690 20 0 GFADRO Cc1c2cc(Cl)ccc2sc1CNC(=O)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000419721008 563248276 /nfs/dbraw/zinc/24/82/76/563248276.db2.gz YOYPQXQRTQIGIK-GFCCVEGCSA-N 1 0 379.913 2.595 20 0 GFADRO C[C@H]([NH2+]C[C@@H]1CCC[C@]12NC(=O)N(C)C2=O)c1cccc(Br)c1 ZINC000370573803 563248503 /nfs/dbraw/zinc/24/85/03/563248503.db2.gz LLMUVARXKATPJD-BNLOLNQZSA-N 1 0 380.286 2.820 20 0 GFADRO C[C@H]([NH2+]C[C@@H]1CCC[C@@]12NC(=O)N(C)C2=O)c1cccc(Br)c1 ZINC000370573804 563248532 /nfs/dbraw/zinc/24/85/32/563248532.db2.gz LLMUVARXKATPJD-PLQHRBFRSA-N 1 0 380.286 2.820 20 0 GFADRO Cc1sc(Br)nc1C(=O)NCCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000278305176 563249244 /nfs/dbraw/zinc/24/92/44/563249244.db2.gz HSNWFFCCKFSXIL-PHIMTYICSA-N 1 0 390.347 2.833 20 0 GFADRO Cn1ncc(Br)c1C[NH2+]C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000278353904 563251337 /nfs/dbraw/zinc/25/13/37/563251337.db2.gz IDYFYFNJLUDRBB-LBPRGKRZSA-N 1 0 387.322 2.919 20 0 GFADRO O=C(NCCC[NH2+]C1CC1)C(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000419852097 563252402 /nfs/dbraw/zinc/25/24/02/563252402.db2.gz KJBXFRCMSUCKQV-MRXNPFEDSA-N 1 0 384.307 2.915 20 0 GFADRO CCn1cc(Br)cc1C(=O)NC[C@H]1CCC[C@@H]1[NH+]1CCOCC1 ZINC000370760228 563253920 /nfs/dbraw/zinc/25/39/20/563253920.db2.gz NIDLILFONZFLHH-HIFRSBDPSA-N 1 0 384.318 2.501 20 0 GFADRO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000419976418 563255337 /nfs/dbraw/zinc/25/53/37/563255337.db2.gz LENMTKWPVZSUFU-MRXNPFEDSA-N 1 0 386.323 2.976 20 0 GFADRO C[C@@H](CC[NH3+])NC(=O)C(=O)N1CCC(=Cc2cc(Cl)ccc2Cl)CC1 ZINC000419990677 563255399 /nfs/dbraw/zinc/25/53/99/563255399.db2.gz KAYKXKUOLQQGPA-LBPRGKRZSA-N 1 0 384.307 2.853 20 0 GFADRO C[C@@H](Cc1ccc(F)c(Br)c1)C(=O)NC[C@](C)(O)CC[NH+](C)C ZINC000420010160 563255792 /nfs/dbraw/zinc/25/57/92/563255792.db2.gz GKHBUYZAFGOJPG-YVEFUNNKSA-N 1 0 389.309 2.586 20 0 GFADRO C[C@H](c1ccccc1Br)N(C)C(=O)C(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000420012984 563256485 /nfs/dbraw/zinc/25/64/85/563256485.db2.gz BJJVIPOHITYFOJ-WWGRRREGSA-N 1 0 396.329 2.602 20 0 GFADRO C[NH+](C)CC[C@](C)(O)CNC(=O)c1cc(Br)cc(C(F)(F)F)c1 ZINC000420023509 563256563 /nfs/dbraw/zinc/25/65/63/563256563.db2.gz XUNDBWLYYYNPEG-AWEZNQCLSA-N 1 0 397.235 2.900 20 0 GFADRO C[C@@H]1CN(C(=O)c2cn3ccc(Br)cc3n2)CC[N@@H+](C2CC2)C1 ZINC000295704433 563258756 /nfs/dbraw/zinc/25/87/56/563258756.db2.gz ORBJTSJSFKCBBT-LBPRGKRZSA-N 1 0 377.286 2.653 20 0 GFADRO COc1cccc(N2CC[C@@H](C[NH2+]Cc3c(Br)cnn3C)C2)c1 ZINC000278502203 563259702 /nfs/dbraw/zinc/25/97/02/563259702.db2.gz NRZLYENWFVTHNZ-ZDUSSCGKSA-N 1 0 379.302 2.807 20 0 GFADRO C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000420347308 563261942 /nfs/dbraw/zinc/26/19/42/563261942.db2.gz GMFLDWQAMMVEJA-RRQGHBQHSA-N 1 0 380.330 2.622 20 0 GFADRO Nc1cc2c(nn1)CCN(Cc1ccnc(-c3ccc(Br)cc3)n1)C2 ZINC000370995999 563262055 /nfs/dbraw/zinc/26/20/55/563262055.db2.gz BZCKATSOYOZNHV-UHFFFAOYSA-N 1 0 397.280 2.837 20 0 GFADRO [NH3+]C[C@H](NCCS(=O)(=O)c1cccc(Br)c1)C1CCCCC1 ZINC000420381698 563262794 /nfs/dbraw/zinc/26/27/94/563262794.db2.gz ZEOBWUUFKGKBNT-INIZCTEOSA-N 1 0 389.359 2.720 20 0 GFADRO CN(Cc1ccc(Cl)s1)C(=O)CN1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000420388500 563262982 /nfs/dbraw/zinc/26/29/82/563262982.db2.gz LBDREZPQOIDIML-JKSUJKDBSA-N 1 0 381.904 2.926 20 0 GFADRO CN(CCC[NH+]1CCCC1)S(=O)(=O)c1cnc(Cl)c(Br)c1 ZINC000295808940 563263255 /nfs/dbraw/zinc/26/32/55/563263255.db2.gz BMLHCPUSUGABLX-UHFFFAOYSA-N 1 0 396.738 2.604 20 0 GFADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000278612988 563263548 /nfs/dbraw/zinc/26/35/48/563263548.db2.gz JQXPOFYHDVTXFD-MGPQQGTHSA-N 1 0 383.945 2.564 20 0 GFADRO Cc1cc(C[NH2+]C[C@H]2CCC[C@]23NC(=O)N(C)C3=O)ccc1Br ZINC000371085976 563264402 /nfs/dbraw/zinc/26/44/02/563264402.db2.gz JUHNGWCMGSKTGZ-DYVFJYSZSA-N 1 0 380.286 2.568 20 0 GFADRO O=C(N[C@@H]1CCOc2ccc(Br)cc21)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000278648625 563264855 /nfs/dbraw/zinc/26/48/55/563264855.db2.gz AJFUAOXKOYUOPF-GXFFZTMASA-N 1 0 391.269 2.503 20 0 GFADRO O=S1(=O)CCCN1C1CCC([NH2+]Cc2ccccc2Br)CC1 ZINC000371089339 563265152 /nfs/dbraw/zinc/26/51/52/563265152.db2.gz QADRNTOHEAUJBF-UHFFFAOYSA-N 1 0 387.343 2.885 20 0 GFADRO CN1CCC([NH+]2CCC(CCNC(=O)[C@@]3(C)CC3(Cl)Cl)CC2)CC1 ZINC000371089938 563265471 /nfs/dbraw/zinc/26/54/71/563265471.db2.gz RFEMPUKPSZMHTC-QGZVFWFLSA-N 1 0 376.372 2.883 20 0 GFADRO [NH3+][C@H]1Cc2ccccc2N(S(=O)(=O)Cc2cccc(Br)c2)C1 ZINC000420474832 563265788 /nfs/dbraw/zinc/26/57/88/563265788.db2.gz KSVHMIGZDIDXQY-HNNXBMFYSA-N 1 0 381.295 2.669 20 0 GFADRO COc1ccc(S(=O)(=O)N2C[C@@H]([NH3+])Cc3ccccc32)c(Br)c1 ZINC000420478587 563266042 /nfs/dbraw/zinc/26/60/42/563266042.db2.gz XFHDFOMQOCKIHM-LBPRGKRZSA-N 1 0 397.294 2.536 20 0 GFADRO Cc1cc(Br)ccc1S(=O)(=O)N1C[C@H]([NH3+])Cc2ccccc21 ZINC000420477643 563266165 /nfs/dbraw/zinc/26/61/65/563266165.db2.gz UMTZGRNXDSGRQR-CQSZACIVSA-N 1 0 381.295 2.836 20 0 GFADRO COC(=O)c1cccc(C[N@@H+]2CC[C@@H](C(=O)NCC(F)(F)F)C2)c1Cl ZINC000295869354 563266200 /nfs/dbraw/zinc/26/62/00/563266200.db2.gz YWMNNLFGLUVEOQ-LLVKDONJSA-N 1 0 378.778 2.627 20 0 GFADRO C[C@H]1C[N@H+](CCCNC(=O)CCc2ccc(Br)cc2)CCCO1 ZINC000278724634 563268541 /nfs/dbraw/zinc/26/85/41/563268541.db2.gz WBWLTCCHVGCZRM-HNNXBMFYSA-N 1 0 383.330 2.999 20 0 GFADRO Cc1[nH+]c2c(n1[C@H]1CCN(C(=O)c3c(Br)cnn3C)C1)CCCC2 ZINC000295954923 563269707 /nfs/dbraw/zinc/26/97/07/563269707.db2.gz IVXOIDMYWFDRHO-LBPRGKRZSA-N 1 0 392.301 2.654 20 0 GFADRO O=S(=O)(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1cc(Cl)ccc1OC(F)F ZINC000420649898 563270048 /nfs/dbraw/zinc/27/00/48/563270048.db2.gz DUFNFAGOGIMOTP-VXGBXAGGSA-N 1 0 380.844 2.847 20 0 GFADRO CN1CCN(S(=O)(=O)c2cc(Cl)ccc2OC(F)F)c2c[nH+]ccc21 ZINC000420666620 563271685 /nfs/dbraw/zinc/27/16/85/563271685.db2.gz HPMZMFRPMMRSDN-UHFFFAOYSA-N 1 0 389.811 2.982 20 0 GFADRO CN(Cc1ccc(Cl)s1)C(=O)CN1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000371299415 563271823 /nfs/dbraw/zinc/27/18/23/563271823.db2.gz GPVAQOQBIDSMJK-VNQPRFMTSA-N 1 0 385.961 2.543 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]C[C@]1(O)CCC[C@H]1C ZINC000296029652 563272170 /nfs/dbraw/zinc/27/21/70/563272170.db2.gz NCULQVQMGXYWMQ-FHSNZYRGSA-N 1 0 399.329 2.603 20 0 GFADRO Cc1nc(NC(=O)C2CC[NH+](C3CC3)CC2)ccc1I ZINC000278961278 563277319 /nfs/dbraw/zinc/27/73/19/563277319.db2.gz IDFSCDHBLUWJNW-UHFFFAOYSA-N 1 0 385.249 2.808 20 0 GFADRO CN(Cc1cc(Br)ccc1F)C(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000278947186 563277388 /nfs/dbraw/zinc/27/73/88/563277388.db2.gz GUEYBPXPEJPVJS-JTQLQIEISA-N 1 0 381.249 2.660 20 0 GFADRO CC[N@@H+]1CC[C@@H](CNC(=O)C2CCN(C(=O)c3ccc(Cl)s3)CC2)C1 ZINC000371451108 563277421 /nfs/dbraw/zinc/27/74/21/563277421.db2.gz AETADEASUGKGMV-ZDUSSCGKSA-N 1 0 383.945 2.712 20 0 GFADRO C[NH+](C)C1CCN(C(=O)[C@H]2CCCN(c3ccc(Br)cn3)C2)CC1 ZINC000371463413 563278327 /nfs/dbraw/zinc/27/83/27/563278327.db2.gz WJBKUYBQFKPZNA-AWEZNQCLSA-N 1 0 395.345 2.613 20 0 GFADRO COc1ccc(S(=O)(=O)N2CC[C@@H]3CC[N@H+](C)[C@H]3C2)c(Cl)c1Cl ZINC000371506433 563279997 /nfs/dbraw/zinc/27/99/97/563279997.db2.gz RIBREBCNWZGTMB-QWRGUYRKSA-N 1 0 379.309 2.717 20 0 GFADRO O=S(=O)(NCCCCC[NH+]1CCCC1)c1cc(F)ccc1OC(F)F ZINC000420736605 563280819 /nfs/dbraw/zinc/28/08/19/563280819.db2.gz VUFRYBJMZJRTRR-UHFFFAOYSA-N 1 0 380.432 2.972 20 0 GFADRO CN(C)c1ncc(C[NH2+][C@@H]2CCN(c3ccccc3Br)C2)cn1 ZINC000371598763 563282198 /nfs/dbraw/zinc/28/21/98/563282198.db2.gz IVTUSUKLQQTMFK-CQSZACIVSA-N 1 0 376.302 2.674 20 0 GFADRO Cc1ccc(NC(=O)c2cc([C@H]3CC[NH2+]C3)[nH]n2)cc1I ZINC000279062987 563282480 /nfs/dbraw/zinc/28/24/80/563282480.db2.gz SOGBQYQBUKALAJ-JTQLQIEISA-N 1 0 396.232 2.652 20 0 GFADRO O=C(Nc1ccc(Br)cc1)C(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000296321063 563283218 /nfs/dbraw/zinc/28/32/18/563283218.db2.gz XENIQMAVMBVGGT-UHFFFAOYSA-N 1 0 380.286 2.521 20 0 GFADRO C[C@H](NC(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+]1C)c1cc(F)c(Cl)cc1Cl ZINC000420832496 563287972 /nfs/dbraw/zinc/28/79/72/563287972.db2.gz BKGPIBIRLZYVEA-QWRGUYRKSA-N 1 0 390.286 2.862 20 0 GFADRO CC[C@H]([NH2+][C@@H](CC)[C@@H](O)C(F)F)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000296532715 563291337 /nfs/dbraw/zinc/29/13/37/563291337.db2.gz QNYGEUHJTNXGOM-SGMGOOAPSA-N 1 0 384.876 2.693 20 0 GFADRO CNC(=O)[C@H]1CC[N@H+](CCCC(=O)Nc2c(C)cc(Br)cc2C)C1 ZINC000420968574 563292376 /nfs/dbraw/zinc/29/23/76/563292376.db2.gz CFLDKQKOKQLODJ-AWEZNQCLSA-N 1 0 396.329 2.853 20 0 GFADRO CC1(C)NC(=O)N(CC[N@@H+]2CCC[C@H]2Cc2ccccc2Br)C1=O ZINC000420982288 563293676 /nfs/dbraw/zinc/29/36/76/563293676.db2.gz ZMHJCUIQDGEDRY-AWEZNQCLSA-N 1 0 394.313 2.786 20 0 GFADRO CN(C)C(=O)O[C@@H]1CCN(Cc2nc(-c3cccc(Br)c3)no2)C1 ZINC000296634338 563294801 /nfs/dbraw/zinc/29/48/01/563294801.db2.gz HXPQTLIQJOEYEC-CYBMUJFWSA-N 1 0 395.257 2.772 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[N@H+](C)[C@H]1CC[C@H](O)CC1 ZINC000296640498 563295424 /nfs/dbraw/zinc/29/54/24/563295424.db2.gz CIJJZUASPNDMPF-RCBQFDQVSA-N 1 0 399.329 2.698 20 0 GFADRO COC[C@]1(C)CCN(CC(=O)Nc2ccccc2I)C1 ZINC000296661465 563295665 /nfs/dbraw/zinc/29/56/65/563295665.db2.gz JXZVXOXQMXZZSX-OAHLLOKOSA-N 1 0 388.249 2.588 20 0 GFADRO O=C(NCC1(CO)CCOCC1)C1CC[NH+](Cc2ccc(Cl)s2)CC1 ZINC000372126168 563296291 /nfs/dbraw/zinc/29/62/91/563296291.db2.gz IJASSUGNYOWWIE-UHFFFAOYSA-N 1 0 386.945 2.519 20 0 GFADRO C[C@@H]1CN(CC(=O)N(C)Cc2ccccc2Br)CC[N@@H+](C2CC2)C1 ZINC000296720669 563298876 /nfs/dbraw/zinc/29/88/76/563298876.db2.gz NARDVIGQHUJLHP-OAHLLOKOSA-N 1 0 394.357 2.824 20 0 GFADRO C[C@H]1CN(C(=O)CSc2ccc(Cl)cc2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000372364722 563303834 /nfs/dbraw/zinc/30/38/34/563303834.db2.gz HCQJYXJFHNWFCM-YJBOKZPZSA-N 1 0 381.973 2.917 20 0 GFADRO CN(C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1)S(=O)(=O)CCCC(F)(F)F ZINC000372403143 563304667 /nfs/dbraw/zinc/30/46/67/563304667.db2.gz FMJCOFNWZMIBSD-GJZGRUSLSA-N 1 0 379.448 2.679 20 0 GFADRO Cc1csc([C@@H](NC(=O)NC[C@@]2([NH+](C)C)CCSC2)C(F)(F)F)n1 ZINC000296887756 563307065 /nfs/dbraw/zinc/30/70/65/563307065.db2.gz GXTWNPFVUVCAQQ-MFKMUULPSA-N 1 0 382.477 2.791 20 0 GFADRO Cc1nc(NC(=O)NC[C@H]2CCC[C@H]2[NH+]2CCOCC2)ccc1Br ZINC000372487581 563308388 /nfs/dbraw/zinc/30/83/88/563308388.db2.gz QUTSGAKYOHSWIZ-UKRRQHHQSA-N 1 0 397.317 2.775 20 0 GFADRO CCCN1C[C@H](C[NH2+]Cc2cc(Br)c3c(c2)OCCO3)CC1=O ZINC000421350444 563308812 /nfs/dbraw/zinc/30/88/12/563308812.db2.gz KURVWBBHYLTJSH-ZDUSSCGKSA-N 1 0 383.286 2.568 20 0 GFADRO NC(=O)[C@H]1CC[C@H](C[NH2+]Cc2cn(-c3ccc(Cl)cc3Cl)nn2)CC1 ZINC000421360801 563308895 /nfs/dbraw/zinc/30/88/95/563308895.db2.gz JOACNLMBLZWKSV-HAQNSBGRSA-N 1 0 382.295 2.955 20 0 GFADRO CCN(CCC[NH2+]C1CCC(O)(c2cccc(Cl)c2)CC1)S(C)(=O)=O ZINC000372528690 563309104 /nfs/dbraw/zinc/30/91/04/563309104.db2.gz DTXHPBXUSNLNAG-UHFFFAOYSA-N 1 0 388.961 2.731 20 0 GFADRO CCn1ccnc1CNC(=O)Nc1ccc(Br)c(C(=O)OC)c1 ZINC000296948997 563309349 /nfs/dbraw/zinc/30/93/49/563309349.db2.gz QDALCLLSZYYFBI-UHFFFAOYSA-N 1 0 381.230 2.774 20 0 GFADRO CC1(C)[C@@H]2OCCC[C@H]2[C@@]1([NH3+])C(=O)NCc1ccc(Br)c(F)c1 ZINC000372569582 563310865 /nfs/dbraw/zinc/31/08/65/563310865.db2.gz JBKBGGRFMJVSQP-JDSLSITLSA-N 1 0 385.277 2.737 20 0 GFADRO CN(C)S(=O)(=O)c1ccc(OCC[N@@H+]2CCC[C@H](C(F)(F)F)C2)cc1 ZINC000279874265 563313646 /nfs/dbraw/zinc/31/36/46/563313646.db2.gz DWGPLQQZUICFOE-ZDUSSCGKSA-N 1 0 380.432 2.590 20 0 GFADRO C[C@@H]1C[N@H+](CCCNC(=O)N[C@H](c2nccs2)C(F)(F)F)CCCO1 ZINC000297072293 563314962 /nfs/dbraw/zinc/31/49/62/563314962.db2.gz UMIHJVQVHIYKLB-VXGBXAGGSA-N 1 0 380.436 2.547 20 0 GFADRO C[C@H]1C[N@H+](CCCNC(=O)N[C@@H](c2nccs2)C(F)(F)F)CCCO1 ZINC000297072286 563315007 /nfs/dbraw/zinc/31/50/07/563315007.db2.gz UMIHJVQVHIYKLB-RYUDHWBXSA-N 1 0 380.436 2.547 20 0 GFADRO C[NH+](C)C1(CNC(=O)NCCCCn2cc(Br)cn2)CCCC1 ZINC000279935384 563315186 /nfs/dbraw/zinc/31/51/86/563315186.db2.gz LGYGOHLPMLQVRE-UHFFFAOYSA-N 1 0 386.338 2.599 20 0 GFADRO COc1cc(Cl)c(S(=O)(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)cc1OC ZINC000279943263 563315803 /nfs/dbraw/zinc/31/58/03/563315803.db2.gz XIFCQAAEKMJIAH-LBPRGKRZSA-N 1 0 390.933 2.708 20 0 GFADRO COCCC[NH+]1CCC(NC(=O)N[C@@H](c2nccs2)C(F)(F)F)CC1 ZINC000297116480 563316148 /nfs/dbraw/zinc/31/61/48/563316148.db2.gz XOAMUVWFLBWCGP-LBPRGKRZSA-N 1 0 380.436 2.547 20 0 GFADRO Cc1nc2ccc(Br)cn2c1C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000279994035 563317752 /nfs/dbraw/zinc/31/77/52/563317752.db2.gz SFXXRCJRALXZOM-GFCCVEGCSA-N 1 0 377.286 2.619 20 0 GFADRO CC(C)(C)S(=O)(=O)N1CCC([NH2+]Cc2c[nH]nc2-c2cccs2)CC1 ZINC000372810487 563318072 /nfs/dbraw/zinc/31/80/72/563318072.db2.gz SEBURLXCIZYTPX-UHFFFAOYSA-N 1 0 382.555 2.821 20 0 GFADRO C[C@H]([NH2+][C@H]1CCC[C@H]1CCO)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000279996173 563318541 /nfs/dbraw/zinc/31/85/41/563318541.db2.gz FQEZPKJYLHPWOF-BHDSKKPTSA-N 1 0 381.325 2.843 20 0 GFADRO CS(=O)(=O)c1ccc(C(=O)NCc2ccccc2C[NH+]2CCCC2)s1 ZINC000421740937 563320274 /nfs/dbraw/zinc/32/02/74/563320274.db2.gz MVGCIZIMMUOPNU-UHFFFAOYSA-N 1 0 378.519 2.677 20 0 GFADRO Cc1c(C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)cnn1-c1ccc(Br)cc1 ZINC000372956784 563323409 /nfs/dbraw/zinc/32/34/09/563323409.db2.gz MPVBPXSRQYAQEG-SUMWQHHRSA-N 1 0 389.297 2.767 20 0 GFADRO O=C(CCCc1ccc(Br)s1)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000372945117 563323585 /nfs/dbraw/zinc/32/35/85/563323585.db2.gz GSFYBDYWVTZAEN-QWHCGFSZSA-N 1 0 387.343 2.813 20 0 GFADRO O=C([C@@H]1CCN(c2cc(Cl)ccc2Cl)C1=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000372958709 563323690 /nfs/dbraw/zinc/32/36/90/563323690.db2.gz PHTPWGUGWJFAAY-CORIIIEPSA-N 1 0 382.291 2.557 20 0 GFADRO C[C@H](CNC(=O)N1CCC(Cn2cc(Br)cn2)CC1)[N@H+](C)C1CC1 ZINC000372979537 563324088 /nfs/dbraw/zinc/32/40/88/563324088.db2.gz UKRUILJUWYOMMI-CYBMUJFWSA-N 1 0 398.349 2.550 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)N1CCC[C@@H]([NH3+])[C@H]1C ZINC000297354327 563324335 /nfs/dbraw/zinc/32/43/35/563324335.db2.gz JTWIISVGKJLSPO-RBSFLKMASA-N 1 0 384.567 2.689 20 0 GFADRO CN(C[C@H](O)c1ccccc1Br)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000297386712 563325679 /nfs/dbraw/zinc/32/56/79/563325679.db2.gz KASHUDZJIKJMDA-KRWDZBQOSA-N 1 0 396.329 2.751 20 0 GFADRO C[C@@H](CO)[N@@H+]1CCCN(C(=O)c2ccc(Br)c(Cl)c2F)CC1 ZINC000373071048 563328005 /nfs/dbraw/zinc/32/80/05/563328005.db2.gz QOKVBIKLHWQIGX-JTQLQIEISA-N 1 0 393.684 2.770 20 0 GFADRO COc1ccc(Br)c(C(=O)NCCC[NH2+][C@@H]2CCn3ccnc32)c1 ZINC000297521758 563328675 /nfs/dbraw/zinc/32/86/75/563328675.db2.gz DCNLVARXZBQEJT-OAHLLOKOSA-N 1 0 393.285 2.509 20 0 GFADRO C[C@@H]1C[N@H+](C[C@H](O)COc2ccc(Cl)cc2Cl)C[C@]2(CCOC2)O1 ZINC000280271478 563329956 /nfs/dbraw/zinc/32/99/56/563329956.db2.gz CTNHJFKVFZJPCG-IFIJOSMWSA-N 1 0 376.280 2.613 20 0 GFADRO OC[C@@H](C[NH2+]C1CCN(Cc2ccccc2Br)CC1)[C@@H]1CCOC1 ZINC000280382851 563334438 /nfs/dbraw/zinc/33/44/38/563334438.db2.gz VZAXQWGUPPFLIJ-IAGOWNOFSA-N 1 0 397.357 2.648 20 0 GFADRO C[NH+]1CCC(n2ccc(NC(=O)Cc3cc(F)ccc3Br)n2)CC1 ZINC000373302729 563334693 /nfs/dbraw/zinc/33/46/93/563334693.db2.gz XGEFXSSRACNGBY-UHFFFAOYSA-N 1 0 395.276 3.233 20 0 GFADRO C[C@H]([NH2+]CC[C@@H]1CCCCO1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000280391846 563334936 /nfs/dbraw/zinc/33/49/36/563334936.db2.gz AOMVSJUEEFMYHT-AAEUAGOBSA-N 1 0 391.331 2.706 20 0 GFADRO C[C@H](NC(=O)C(=O)NCCCC[N@H+](C)C1CC1)c1ccc(Br)cc1 ZINC000422274604 563335670 /nfs/dbraw/zinc/33/56/70/563335670.db2.gz YRNPULFZPJMFNQ-ZDUSSCGKSA-N 1 0 396.329 2.617 20 0 GFADRO C[N@@H+]1CC[C@@H](CNC(=O)Nc2cnn(-c3ccccc3Br)c2)C1 ZINC000297802739 563336438 /nfs/dbraw/zinc/33/64/38/563336438.db2.gz PFBMQSURWWGBSV-LBPRGKRZSA-N 1 0 378.274 2.708 20 0 GFADRO CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000297936733 563340438 /nfs/dbraw/zinc/34/04/38/563340438.db2.gz VEQRCIWLSBLKAD-HIFRSBDPSA-N 1 0 383.945 2.693 20 0 GFADRO C[N@@H+](Cc1cc(=O)n2ccsc2n1)C[C@@H](O)c1cccc(Br)c1 ZINC000298027198 563342119 /nfs/dbraw/zinc/34/21/19/563342119.db2.gz BRRQTHDLFIIUAX-CQSZACIVSA-N 1 0 394.294 2.684 20 0 GFADRO C[N@@H+](Cc1cc(=O)n2ccsc2n1)C[C@H](O)c1cccc(Br)c1 ZINC000298027197 563342289 /nfs/dbraw/zinc/34/22/89/563342289.db2.gz BRRQTHDLFIIUAX-AWEZNQCLSA-N 1 0 394.294 2.684 20 0 GFADRO CC1(CNC(=O)c2c[nH]c(=O)c(Br)c2)C[NH+](Cc2ccccc2)C1 ZINC000373588240 563343002 /nfs/dbraw/zinc/34/30/02/563343002.db2.gz KJXPVEWWZRKCGY-UHFFFAOYSA-N 1 0 390.281 2.802 20 0 GFADRO Cc1cc(F)c(NC(=O)NC(C)(C)CC[NH3+])c(I)c1 ZINC000422568073 563343447 /nfs/dbraw/zinc/34/34/47/563343447.db2.gz ASINHKNIPBFSEF-UHFFFAOYSA-N 1 0 379.217 2.988 20 0 GFADRO CN(C[C@H](O)c1cccc(Br)c1)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000298176347 563346878 /nfs/dbraw/zinc/34/68/78/563346878.db2.gz GGYYTZOWZDXNCA-BBWFWOEESA-N 1 0 396.329 2.751 20 0 GFADRO C[C@@H]([NH3+])[C@H](Cc1ccccc1)NCCNC(=O)c1ccc(Br)cc1 ZINC000422731788 563348536 /nfs/dbraw/zinc/34/85/36/563348536.db2.gz MHLITCMFUORHAY-KDOFPFPSSA-N 1 0 390.325 2.727 20 0 GFADRO C[N@@H+]1CC[C@H](CNC(=O)NCCOCC(F)F)[C@H]1c1cccc(Cl)c1 ZINC000373759637 563349845 /nfs/dbraw/zinc/34/98/45/563349845.db2.gz WFSLFQFJVUQTDP-CZUORRHYSA-N 1 0 375.847 2.914 20 0 GFADRO Brc1cccc(N2CC[C@H](C[NH2+][C@H](C3CC3)[C@H]3CNCCO3)C2)c1 ZINC000422898883 563350123 /nfs/dbraw/zinc/35/01/23/563350123.db2.gz NEDLILHYQQNXHF-NIKGAXFTSA-N 1 0 394.357 2.632 20 0 GFADRO CC(C)[C@H](C(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)[C@@H](C)[NH3+] ZINC000422930711 563350894 /nfs/dbraw/zinc/35/08/94/563350894.db2.gz VPDBNBBTXZZPOC-WBMJQRKESA-N 1 0 387.933 2.682 20 0 GFADRO CN(Cc1ccc(Br)s1)C(=O)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000422942342 563351863 /nfs/dbraw/zinc/35/18/63/563351863.db2.gz PKLSKHIPFDLDRD-GFCCVEGCSA-N 1 0 383.315 2.904 20 0 GFADRO [NH3+]CCCn1cc(C(=O)Nc2cc(Br)cc(C(F)(F)F)c2)nn1 ZINC000422961872 563352707 /nfs/dbraw/zinc/35/27/07/563352707.db2.gz BIYKIAZWYJLCKG-UHFFFAOYSA-N 1 0 392.179 2.661 20 0 GFADRO Brc1cc2c(c(CN[C@@H]3CCOC[C@H]3[C@H]3CCC[NH2+]3)c1)OCC2 ZINC000423049735 563353201 /nfs/dbraw/zinc/35/32/01/563353201.db2.gz KPKKUJAZUDSJND-GVDBMIGSSA-N 1 0 381.314 2.631 20 0 GFADRO C[C@H]([NH2+][C@H]1CCCSC1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000280777770 563353687 /nfs/dbraw/zinc/35/36/87/563353687.db2.gz RZBVALRDGDMHNF-ONGXEEELSA-N 1 0 379.345 2.643 20 0 GFADRO C[C@H](NC(=O)[C@H]1C[C@H](C)CC[NH2+]1)c1cc2c(cc1Br)OCCO2 ZINC000423052400 563353858 /nfs/dbraw/zinc/35/38/58/563353858.db2.gz QMJIZYXWWGKQDF-UHIISALHSA-N 1 0 383.286 2.786 20 0 GFADRO C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000423085707 563354484 /nfs/dbraw/zinc/35/44/84/563354484.db2.gz KHZVLUUGPBWPBZ-XIKOKIGWSA-N 1 0 384.307 2.725 20 0 GFADRO CC1(C)CCC[NH2+][C@@H]1C(=O)NC[C@H](O)COc1cccc(Cl)c1Cl ZINC000423079220 563354507 /nfs/dbraw/zinc/35/45/07/563354507.db2.gz XTEBLZCWCCJWPE-XHDPSFHLSA-N 1 0 375.296 2.628 20 0 GFADRO C[C@@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)C(=O)N1CCn2cncc2C1 ZINC000298424087 563354944 /nfs/dbraw/zinc/35/49/44/563354944.db2.gz URNYJWGNVOAVFP-NSHDSACASA-N 1 0 381.263 2.752 20 0 GFADRO C[N@@H+]1CC[C@H](CNC(=O)Cc2ccc([S@@](C)=O)cc2)[C@@H]1c1cccs1 ZINC000373901278 563355015 /nfs/dbraw/zinc/35/50/15/563355015.db2.gz ZNVYZGSZAABXCK-MJECEPGDSA-N 1 0 376.547 2.837 20 0 GFADRO CN(C)c1cc[nH+]cc1C(=O)N(C)C[C@@H](O)c1cccc(Br)c1 ZINC000298432237 563355542 /nfs/dbraw/zinc/35/55/42/563355542.db2.gz RPUWAUSBJTYRRJ-MRXNPFEDSA-N 1 0 378.270 2.716 20 0 GFADRO CC(C)[C@H](CNC(=O)Nc1ccc(Br)cc1)[NH+]1CCN(C)CC1 ZINC000298430631 563355570 /nfs/dbraw/zinc/35/55/70/563355570.db2.gz ZOQYBANDQAEVIM-INIZCTEOSA-N 1 0 383.334 2.843 20 0 GFADRO C[NH2+]C1CCN(C(=O)C(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)CC1 ZINC000423096514 563355651 /nfs/dbraw/zinc/35/56/51/563355651.db2.gz PCPJFAACVYSTJF-MRXNPFEDSA-N 1 0 384.307 2.867 20 0 GFADRO O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1cnn(-c2ccc(Br)cc2)c1 ZINC000373929396 563355638 /nfs/dbraw/zinc/35/56/38/563355638.db2.gz OQJSTHOICUDOQS-RDJZCZTQSA-N 1 0 389.297 2.991 20 0 GFADRO CN(Cc1cc(Br)ccc1F)C(=O)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000423123319 563355894 /nfs/dbraw/zinc/35/58/94/563355894.db2.gz MJIIMZNXCBZHQV-OAHLLOKOSA-N 1 0 395.276 2.981 20 0 GFADRO C[C@H]([NH2+]C[C@@H](CO)[C@@H]1CCOC1)c1ccccc1I ZINC000280836586 563356690 /nfs/dbraw/zinc/35/66/90/563356690.db2.gz LMNWNAIXYJIFNC-XQQFMLRXSA-N 1 0 375.250 2.587 20 0 GFADRO C[C@H]([NH2+]C[C@H](CO)[C@H]1CCOC1)c1ccccc1I ZINC000280836583 563356807 /nfs/dbraw/zinc/35/68/07/563356807.db2.gz LMNWNAIXYJIFNC-RWMBFGLXSA-N 1 0 375.250 2.587 20 0 GFADRO CC(C)[C@H](C(=O)NCCc1ccc(I)s1)[C@@H](C)[NH3+] ZINC000423132969 563356919 /nfs/dbraw/zinc/35/69/19/563356919.db2.gz JRVXIYSKFQHVHP-SKDRFNHKSA-N 1 0 380.295 2.631 20 0 GFADRO CC[N@@H+]1CC[C@H]2OCCN(CCC(=O)Nc3ccccc3Br)[C@H]2C1 ZINC000298495968 563357292 /nfs/dbraw/zinc/35/72/92/563357292.db2.gz UKHFWBFFYZWTDO-DLBZAZTESA-N 1 0 396.329 2.573 20 0 GFADRO C[C@H]([NH2+]C[C@H](CO)Cc1cc(F)cc(Br)c1)c1cnccc1N ZINC000423167191 563357982 /nfs/dbraw/zinc/35/79/82/563357982.db2.gz DSJMEFVTNHKVEU-WCQYABFASA-N 1 0 382.277 2.898 20 0 GFADRO C[C@@H](NC(=O)CC1(C[NH3+])CC1)c1nc(-c2ccc(Br)cc2)no1 ZINC000423292134 563359283 /nfs/dbraw/zinc/35/92/83/563359283.db2.gz LNLDHSCDQCYHPD-SNVBAGLBSA-N 1 0 379.258 2.805 20 0 GFADRO Cc1c([C@H](C)N[C@H]2CC[NH2+]C[C@H]2C)nnn1-c1cccc(Br)c1 ZINC000423361364 563360365 /nfs/dbraw/zinc/36/03/65/563360365.db2.gz AFIBQRIIWBXUFC-WQGACYEGSA-N 1 0 378.318 2.987 20 0 GFADRO [NH3+][C@H]1C[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1cc(Cl)c(Br)cc1F ZINC000374089906 563361344 /nfs/dbraw/zinc/36/13/44/563361344.db2.gz YBLQQTKSTDXOHZ-AYMMMOKOSA-N 1 0 397.697 2.884 20 0 GFADRO C[C@@H]1CN(C(=O)C(=O)N2CCc3cc(Cl)cc(Cl)c3[C@@H]2C)CC[C@@H]1[NH3+] ZINC000423570772 563361988 /nfs/dbraw/zinc/36/19/88/563361988.db2.gz XCJHWFAHOMEPLR-ZETOZRRWSA-N 1 0 384.307 2.635 20 0 GFADRO C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CCC(c3c(Cl)cccc3Cl)CC2)C1 ZINC000423609342 563362244 /nfs/dbraw/zinc/36/22/44/563362244.db2.gz LKBLAYZLCMMHMP-CYBMUJFWSA-N 1 0 384.307 2.520 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H]2CN(S(=O)(=O)c3cccc(Cl)c3Br)C[C@@H]21 ZINC000374174016 563363981 /nfs/dbraw/zinc/36/39/81/563363981.db2.gz IHLVCTQOTYILBD-JFGNBEQYSA-N 1 0 393.734 2.850 20 0 GFADRO Cc1cc(Br)cc(C(=O)NC2CCC(N3CC[NH2+]CC3)CC2)c1 ZINC000423945445 563365109 /nfs/dbraw/zinc/36/51/09/563365109.db2.gz GYMLKCGKJCVHFC-UHFFFAOYSA-N 1 0 380.330 2.704 20 0 GFADRO [NH3+]CCC[C@H](NC(=O)CCn1cc(Br)ccc1=O)c1ccccc1 ZINC000423965647 563365752 /nfs/dbraw/zinc/36/57/52/563365752.db2.gz HZOQGVCVQPSCML-INIZCTEOSA-N 1 0 392.297 2.597 20 0 GFADRO [NH3+]C[C@H](NC(=O)c1ccn(-c2cccc(Br)c2)n1)C1CCCC1 ZINC000423969522 563366102 /nfs/dbraw/zinc/36/61/02/563366102.db2.gz VUZNZTRZCSXOTK-INIZCTEOSA-N 1 0 377.286 2.882 20 0 GFADRO [NH3+]Cc1cn([C@@H]2CCCN(C(=O)c3cc(Cl)ccc3Br)C2)nn1 ZINC000423996730 563366845 /nfs/dbraw/zinc/36/68/45/563366845.db2.gz GVGGTLJFKGDPQN-GFCCVEGCSA-N 1 0 398.692 2.630 20 0 GFADRO O=C(c1cc2c(c(Br)c1)OCO2)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000424010046 563367158 /nfs/dbraw/zinc/36/71/58/563367158.db2.gz XNMROZKGHRAHBV-OAHLLOKOSA-N 1 0 389.249 2.965 20 0 GFADRO CS[C@@H]1CN(C(=O)c2nc(Br)sc2C)C[C@@H]1[NH+]1CCCC1 ZINC000298829776 563367580 /nfs/dbraw/zinc/36/75/80/563367580.db2.gz CFJMRVILNSAUCW-WDEREUQCSA-N 1 0 390.372 2.866 20 0 GFADRO C[C@H]([NH2+]CC1(C)CCOCC1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000281259065 563371280 /nfs/dbraw/zinc/37/12/80/563371280.db2.gz XULWALSDTQPKIP-NSHDSACASA-N 1 0 391.331 2.564 20 0 GFADRO O=C(C[C@@H]1Sc2ccc(Cl)cc2NC1=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000298986798 563372297 /nfs/dbraw/zinc/37/22/97/563372297.db2.gz IDJLJBBXLYFQPA-XPKDYRNWSA-N 1 0 379.913 2.886 20 0 GFADRO O=C(N1CC[C@@H]([NH+]2CCCCC2)C1)C1(c2cncc(Br)c2)CC1 ZINC000281296675 563372765 /nfs/dbraw/zinc/37/27/65/563372765.db2.gz PMGBQNJNSBYRCL-MRXNPFEDSA-N 1 0 378.314 2.963 20 0 GFADRO COc1ncc(C(=O)N2CC[NH2+]C[C@H]2c2ccccc2)cc1Br ZINC000424197692 563373433 /nfs/dbraw/zinc/37/34/33/563373433.db2.gz OKIZPJDRSZSXGG-HNNXBMFYSA-N 1 0 376.254 2.639 20 0 GFADRO CS(=O)(=O)c1cc(C(=O)N2CCCc3cc(C[NH3+])ccc32)ccc1Cl ZINC000374469891 563373444 /nfs/dbraw/zinc/37/34/44/563373444.db2.gz VQGGGUUSHGJJSH-UHFFFAOYSA-N 1 0 378.881 2.795 20 0 GFADRO CCO[C@H](CC[NH+](C)C)CNC(=O)C(=O)Nc1cc(Cl)c(Cl)cc1F ZINC000281338910 563373972 /nfs/dbraw/zinc/37/39/72/563373972.db2.gz CPGGIQUMWZXEKM-SNVBAGLBSA-N 1 0 394.274 2.544 20 0 GFADRO C[C@@H](C[S@@](C)=O)[N@H+](C)CCC(=O)Nc1ccc(Br)cc1F ZINC000299155026 563376664 /nfs/dbraw/zinc/37/66/64/563376664.db2.gz XDOZGUVYVLNDPR-CHNSCGDPSA-N 1 0 379.295 2.616 20 0 GFADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2cc(Cl)c(N)c(Cl)c2)C1 ZINC000299188794 563377289 /nfs/dbraw/zinc/37/72/89/563377289.db2.gz CRDKHPKJGZPKOF-NSHDSACASA-N 1 0 387.311 2.704 20 0 GFADRO C[C@@H]1CC2(CN1S(=O)(=O)c1ccc(F)cc1C(F)(F)F)CC[NH2+]CC2 ZINC000424392726 563378109 /nfs/dbraw/zinc/37/81/09/563378109.db2.gz QCBLQDPCWBCQKX-LLVKDONJSA-N 1 0 380.407 2.997 20 0 GFADRO Cc1ccc(S(=O)(=O)N2CC3(C[C@H]2C)CC[NH2+]CC3)cc1Br ZINC000424390679 563378214 /nfs/dbraw/zinc/37/82/14/563378214.db2.gz KOXKNYPCPOKSLV-CYBMUJFWSA-N 1 0 387.343 2.910 20 0 GFADRO Cn1cc([C@@H]2CN(C(=O)Nc3cccc(Br)c3Cl)C[C@H]2[NH3+])cn1 ZINC000424420375 563378735 /nfs/dbraw/zinc/37/87/35/563378735.db2.gz VPKYGOKJRGMART-CMPLNLGQSA-N 1 0 398.692 2.795 20 0 GFADRO CC[NH+]1CCN(CCCNC(=O)c2cc(Cl)ccc2Br)CC1 ZINC000299254413 563379066 /nfs/dbraw/zinc/37/90/66/563379066.db2.gz NTGXYHONAMEWQV-UHFFFAOYSA-N 1 0 388.737 2.860 20 0 GFADRO COCC[N@@H+]1CCCN(C(=O)c2cc3ccc(Br)cc3[nH]2)CC1 ZINC000299242414 563379201 /nfs/dbraw/zinc/37/92/01/563379201.db2.gz LGBJXWPROORRJE-UHFFFAOYSA-N 1 0 380.286 2.725 20 0 GFADRO COc1c(Br)ccc(C)c1C(=O)NCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000424575472 563382226 /nfs/dbraw/zinc/38/22/26/563382226.db2.gz XEIZTEMRXSMHAT-KBPBESRZSA-N 1 0 399.329 2.995 20 0 GFADRO COCC[N@@H+]1CCCN(C(=O)c2c(C)ccc(Br)c2OC)CC1 ZINC000424616690 563383431 /nfs/dbraw/zinc/38/34/31/563383431.db2.gz KANPKBXLAJMXMT-UHFFFAOYSA-N 1 0 385.302 2.560 20 0 GFADRO NC(=O)[C@H]1CCCC[C@H]1[NH2+]CCC(=O)Nc1ccc(Br)cc1F ZINC000299439885 563383530 /nfs/dbraw/zinc/38/35/30/563383530.db2.gz VTXCLVHGEIEDFQ-WCQYABFASA-N 1 0 386.265 2.551 20 0 GFADRO CCOc1c(Br)cc(C(=O)N2C[C@@H](F)C[C@H]2C[NH2+]C)cc1OC ZINC000375064334 563389603 /nfs/dbraw/zinc/38/96/03/563389603.db2.gz IWUONPFLAMRJCE-RYUDHWBXSA-N 1 0 389.265 2.628 20 0 GFADRO COc1c(Br)ccc(C)c1C(=O)N1C[C@@H](SC)[C@@H]([NH+](C)C)C1 ZINC000424750179 563390093 /nfs/dbraw/zinc/39/00/93/563390093.db2.gz KIFFFLGZMYSOSJ-QWHCGFSZSA-N 1 0 387.343 2.884 20 0 GFADRO Cc1oc(Br)cc1C(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000424758413 563390690 /nfs/dbraw/zinc/39/06/90/563390690.db2.gz JICODPAXHCIRHJ-HNNXBMFYSA-N 1 0 393.281 2.847 20 0 GFADRO Cc1sc(C(=O)N(C)CCC[N@@H+](C)CCN(C)C)cc1Br ZINC000424835361 563394100 /nfs/dbraw/zinc/39/41/00/563394100.db2.gz WBVIJXFVNMVSSH-UHFFFAOYSA-N 1 0 376.364 2.775 20 0 GFADRO Cn1nc(Br)c2c1ncnc2NC[C@H](c1cccc(F)c1)[NH+](C)C ZINC000301156442 563394403 /nfs/dbraw/zinc/39/44/03/563394403.db2.gz NLWWLIFLUWEFHZ-GFCCVEGCSA-N 1 0 393.264 2.980 20 0 GFADRO C[C@H](NC(=O)C[NH2+][C@H]1CCC(=O)N[C@@H]1C1CC1)c1ccc(Cl)c(Cl)c1 ZINC000375338328 563400751 /nfs/dbraw/zinc/40/07/51/563400751.db2.gz QSUXXSUANFLFAP-XIWSCHCOSA-N 1 0 384.307 2.817 20 0 GFADRO O[C@@H](C[N@@H+]1CCC[C@@H](CN2CCOCC2)C1)c1ccc(Br)cc1 ZINC000282240066 563402960 /nfs/dbraw/zinc/40/29/60/563402960.db2.gz PVVSHVKUIJFROY-YJBOKZPZSA-N 1 0 383.330 2.527 20 0 GFADRO O=C1CNC(=O)N1CCC[NH+]1CCC(c2ccc(Br)cc2)CC1 ZINC000282230927 563403124 /nfs/dbraw/zinc/40/31/24/563403124.db2.gz ZHLVIODUQPWEQG-UHFFFAOYSA-N 1 0 380.286 2.570 20 0 GFADRO CN(CC[NH+](C)C)c1ccc(Br)cc1NC(=O)C[C@@H]1CCOC1 ZINC000425097999 563404429 /nfs/dbraw/zinc/40/44/29/563404429.db2.gz JPLNURNQSNITDT-ZDUSSCGKSA-N 1 0 384.318 2.812 20 0 GFADRO Cn1nc(Br)c2c1ncnc2NCC[N@H+](C)Cc1ccc(F)cc1 ZINC000301541973 563406736 /nfs/dbraw/zinc/40/67/36/563406736.db2.gz OIUMXHPYBFYKON-UHFFFAOYSA-N 1 0 393.264 2.809 20 0 GFADRO Cc1c([C@@H](C)[NH2+]CC2([S@@](C)=O)CC2)nnn1-c1cccc(Br)c1 ZINC000282325103 563407085 /nfs/dbraw/zinc/40/70/85/563407085.db2.gz NTVBZUBRDYFWGK-QVQLBTGDSA-N 1 0 397.342 2.900 20 0 GFADRO CC1(C)CN=C(N2CCN(c3ccccc3S(=O)(=O)C(F)F)CC2)S1 ZINC000301760493 563411667 /nfs/dbraw/zinc/41/16/67/563411667.db2.gz ZYIAYIOWRRFKBI-UHFFFAOYSA-N 1 0 389.493 2.686 20 0 GFADRO CCN(CC)C(=O)C[N@@H+]1CCCN(c2cc(C)c(Br)cn2)CC1 ZINC000301818121 563413253 /nfs/dbraw/zinc/41/32/53/563413253.db2.gz IFBBYZSCNDGOHQ-UHFFFAOYSA-N 1 0 383.334 2.533 20 0 GFADRO Cc1cc(NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)ncc1Br ZINC000301842420 563413726 /nfs/dbraw/zinc/41/37/26/563413726.db2.gz ZYCIJYCRMDIPRR-MRXNPFEDSA-N 1 0 376.298 2.984 20 0 GFADRO COC[C@@]1(CO)CCN(c2cc[nH+]c3cc(OC)c(Br)cc32)C1 ZINC000425272351 563416007 /nfs/dbraw/zinc/41/60/07/563416007.db2.gz WPQMSRSHCZGBFT-KRWDZBQOSA-N 1 0 381.270 2.841 20 0 GFADRO COc1nc(N2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)ncc1Br ZINC000425275246 563416394 /nfs/dbraw/zinc/41/63/94/563416394.db2.gz NIODQYGDFLZHQJ-GOEBONIOSA-N 1 0 389.297 2.958 20 0 GFADRO C[C@H]([NH2+]Cc1ccc(OC(F)(F)F)c(Br)c1)C(=O)NCCF ZINC000282590340 563417283 /nfs/dbraw/zinc/41/72/83/563417283.db2.gz GPWFMMVRUASBJB-QMMMGPOBSA-N 1 0 387.171 2.912 20 0 GFADRO O=C(NC[C@@H](O)c1cccc(Br)c1)NC1CC[NH+](CC2CC2)CC1 ZINC000282682704 563420528 /nfs/dbraw/zinc/42/05/28/563420528.db2.gz KNQJGLGJULOBEF-QGZVFWFLSA-N 1 0 396.329 2.656 20 0 GFADRO COC(=O)C[C@H]([NH2+]Cc1ccc(S(=O)(=O)N(C)C)s1)C1CCCCC1 ZINC000425436052 563422292 /nfs/dbraw/zinc/42/22/92/563422292.db2.gz UYIAVJZWWUQWIQ-HNNXBMFYSA-N 1 0 388.555 2.600 20 0 GFADRO COCC(C)(C)[NH+]1CCN(C(=O)NCc2cccc(Br)c2)CC1 ZINC000425434979 563422432 /nfs/dbraw/zinc/42/24/32/563422432.db2.gz RHZHWVCYEZYDLH-UHFFFAOYSA-N 1 0 384.318 2.701 20 0 GFADRO COCC(C)(C)[NH+]1CCN([C@H](C)C(=O)Nc2cccc(Br)c2)CC1 ZINC000425509893 563425684 /nfs/dbraw/zinc/42/56/84/563425684.db2.gz UTKROKAMMORFBV-CQSZACIVSA-N 1 0 398.345 2.819 20 0 GFADRO O=C(N[C@H]1COc2c1ccc(Cl)c2Cl)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000376071000 563428490 /nfs/dbraw/zinc/42/84/90/563428490.db2.gz UQUMCPBPYCERGG-HZMBPMFUSA-N 1 0 381.263 2.978 20 0 GFADRO CN(Cc1c(F)cccc1Cl)S(=O)(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000376128493 563430578 /nfs/dbraw/zinc/43/05/78/563430578.db2.gz JRQBSILKXGBKGR-CXAGYDPISA-N 1 0 389.924 2.620 20 0 GFADRO [NH3+][C@H]1CCC[C@@]12CCN(S(=O)(=O)c1c(Cl)cccc1Br)C2 ZINC000376127497 563430751 /nfs/dbraw/zinc/43/07/51/563430751.db2.gz HRWUFXREWOMMRD-JSGCOSHPSA-N 1 0 393.734 2.995 20 0 GFADRO O=C(C1CC1)N1CCC([NH2+]Cc2ccc(I)cc2)CC1 ZINC000312278577 563436094 /nfs/dbraw/zinc/43/60/94/563436094.db2.gz RKLLHCDQJUQADW-UHFFFAOYSA-N 1 0 384.261 2.782 20 0 GFADRO C[NH+](C)C[C@@H]1CCN(C(=O)N[C@@H]2COc3cc(F)c(Br)cc32)C1 ZINC000283170851 563437561 /nfs/dbraw/zinc/43/75/61/563437561.db2.gz NGGBULBEZJLGHD-IINYFYTJSA-N 1 0 386.265 2.615 20 0 GFADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)c1cc(Cl)cc(F)c1Br ZINC000283271241 563440396 /nfs/dbraw/zinc/44/03/96/563440396.db2.gz ARUVAHBVEFBZMO-SNVBAGLBSA-N 1 0 392.700 2.607 20 0 GFADRO CC[C@]1(O)CC[N@H+](C[C@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000425926214 563440576 /nfs/dbraw/zinc/44/05/76/563440576.db2.gz XJGLMVMUGRIAAS-WFASDCNBSA-N 1 0 378.694 2.689 20 0 GFADRO O=C([C@@H]1CCC[N@@H+]1C1CC1)N1CCO[C@@H](c2cccc(Br)c2)C1 ZINC000426087495 563443569 /nfs/dbraw/zinc/44/35/69/563443569.db2.gz VZYNQHRKVAFSLD-DLBZAZTESA-N 1 0 379.298 2.976 20 0 GFADRO O=C(NCC(F)(F)F)[C@@H]1CC[N@H+](CCOc2cccc(Br)c2)C1 ZINC000426117511 563444312 /nfs/dbraw/zinc/44/43/12/563444312.db2.gz WHOHHFRQNZAWKG-LLVKDONJSA-N 1 0 395.219 2.828 20 0 GFADRO O=S(=O)(c1ccc(Br)cc1F)N1CCC2(CC[NH2+]CC2)CC1 ZINC000318882674 563445002 /nfs/dbraw/zinc/44/50/02/563445002.db2.gz ARNQFLGAQDEKFT-UHFFFAOYSA-N 1 0 391.306 2.743 20 0 GFADRO CN(Cc1c(Br)cnn1C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000426164159 563445604 /nfs/dbraw/zinc/44/56/04/563445604.db2.gz XSDQBQYHNDUZAM-UHFFFAOYSA-N 1 0 378.318 2.926 20 0 GFADRO C[C@@H](c1ncc(Br)cn1)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000376552223 563446006 /nfs/dbraw/zinc/44/60/06/563446006.db2.gz JOWLDWIFKCBUKY-JTUUTPGSSA-N 1 0 394.361 2.543 20 0 GFADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)Nc1ncc(C(F)(F)F)s1 ZINC000283570751 563447865 /nfs/dbraw/zinc/44/78/65/563447865.db2.gz JQYAIWLWQQDHNM-JTQLQIEISA-N 1 0 378.420 2.879 20 0 GFADRO Cc1cc(NC(=O)C(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)cc(C)c1Br ZINC000426312991 563448777 /nfs/dbraw/zinc/44/87/77/563448777.db2.gz KYULBJXOGNIUOI-OLZOCXBDSA-N 1 0 382.302 2.603 20 0 GFADRO O=C(c1[nH]nc(-c2ccccc2)c1Br)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000376649884 563449533 /nfs/dbraw/zinc/44/95/33/563449533.db2.gz ZRKUHDYNFKEVOX-WCQYABFASA-N 1 0 375.270 2.663 20 0 GFADRO COCC(C)(C)C[NH+]1CCN(C(=O)COc2ccc(Br)cc2)CC1 ZINC000426398387 563450227 /nfs/dbraw/zinc/45/02/27/563450227.db2.gz YGEGYFCNNDIQPG-UHFFFAOYSA-N 1 0 399.329 2.645 20 0 GFADRO CN(CC[NH+]1CCCC1)C(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000426454095 563451136 /nfs/dbraw/zinc/45/11/36/563451136.db2.gz MEEPKQSPWPUYSU-MRXNPFEDSA-N 1 0 395.345 2.765 20 0 GFADRO C[NH+](C)[C@@H]1CCCN(C(=O)N[C@@H]2CCN(c3cccc(Br)c3)C2)C1 ZINC000426456476 563451181 /nfs/dbraw/zinc/45/11/81/563451181.db2.gz DDWDUKGMRRDZBF-NVXWUHKLSA-N 1 0 395.345 2.763 20 0 GFADRO O=C(Nc1ncc(C(F)(F)F)s1)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000283686012 563451274 /nfs/dbraw/zinc/45/12/74/563451274.db2.gz UXDQMWGBZNVLJR-SNVBAGLBSA-N 1 0 378.420 2.784 20 0 GFADRO O=C(Nc1ncc(C(F)(F)F)s1)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000283708002 563451869 /nfs/dbraw/zinc/45/18/69/563451869.db2.gz YHGXWZPQRNJZAS-WDEREUQCSA-N 1 0 378.420 2.661 20 0 GFADRO COCC(=O)N1CCC([NH2+][C@H]2CCCOc3cc(Br)ccc32)CC1 ZINC000324309438 563452244 /nfs/dbraw/zinc/45/22/44/563452244.db2.gz REDACWUKCABBAD-INIZCTEOSA-N 1 0 397.313 2.890 20 0 GFADRO CO[C@@H](C[NH+]1CCC(NS(=O)(=O)c2cccs2)CC1)c1ccccc1 ZINC000283889995 563458293 /nfs/dbraw/zinc/45/82/93/563458293.db2.gz IQZSCURAJVYHFU-KRWDZBQOSA-N 1 0 380.535 2.879 20 0 GFADRO CC[N@H+](CCNC(=O)c1cnc(-c2cnn(C)c2)s1)CCC(F)(F)F ZINC000427203284 563462166 /nfs/dbraw/zinc/46/21/66/563462166.db2.gz GKPHVZYMLGLUEU-UHFFFAOYSA-N 1 0 375.420 2.548 20 0 GFADRO O=C1CC[C@H]([NH2+]Cc2cnn(-c3ccc(Br)cc3)c2)[C@H](C2CC2)N1 ZINC000377112872 563463321 /nfs/dbraw/zinc/46/33/21/563463321.db2.gz LXVDCIGRNSYMJF-WMZOPIPTSA-N 1 0 389.297 2.782 20 0 GFADRO Cc1csc(-c2cccc(S(=O)(=O)N3CC[C@H]4CC[C@@H](C3)[N@@H+]4C)c2)n1 ZINC000328811221 563465315 /nfs/dbraw/zinc/46/53/15/563465315.db2.gz MUOJKKUVCVRRCV-CVEARBPZSA-N 1 0 377.535 2.976 20 0 GFADRO COC(=O)[C@@H](NC(=O)C[C@@H]1CCC[NH2+]CC1)c1ccc(Br)cc1 ZINC000427356860 563465885 /nfs/dbraw/zinc/46/58/85/563465885.db2.gz JFLWKFCMNWIWSG-WBMJQRKESA-N 1 0 383.286 2.559 20 0 GFADRO Cc1nc(NC(=O)C(=O)NC[C@H]2CC[N@@H+](C)[C@@H]2c2cccs2)sc1C ZINC000377209084 563466510 /nfs/dbraw/zinc/46/65/10/563466510.db2.gz VIDGTDALVREVDW-OCCSQVGLSA-N 1 0 378.523 2.569 20 0 GFADRO Cc1cc(C(=O)NCCC[NH+]2CCC(O)CC2)cc(Cl)c1Br ZINC000284310857 563470188 /nfs/dbraw/zinc/47/01/88/563470188.db2.gz KAVMTWGLOHKMMP-UHFFFAOYSA-N 1 0 389.721 2.988 20 0 GFADRO Cc1cc(C(=O)NCC2(O)CC[NH+](C)CC2)cc(Cl)c1Br ZINC000284321281 563470979 /nfs/dbraw/zinc/47/09/79/563470979.db2.gz KVAJSVSHEQTUPE-UHFFFAOYSA-N 1 0 375.694 2.597 20 0 GFADRO O=C(Nc1cccc(I)c1)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000377411155 563473722 /nfs/dbraw/zinc/47/37/22/563473722.db2.gz HKAUOAUCSHUGTF-AWEZNQCLSA-N 1 0 385.249 2.993 20 0 GFADRO COCCN(Cc1ccc(Br)s1)C(=O)C1CC[NH+](C)CC1 ZINC000427802380 563475920 /nfs/dbraw/zinc/47/59/20/563475920.db2.gz KDDSOLAQWUORCF-UHFFFAOYSA-N 1 0 375.332 2.827 20 0 GFADRO O=S(=O)(CCC(F)(F)F)NCc1nccn1CCCc1ccccc1 ZINC000284469554 563476228 /nfs/dbraw/zinc/47/62/28/563476228.db2.gz YITVIEGNWQTCGV-UHFFFAOYSA-N 1 0 375.416 2.888 20 0 GFADRO O=C(c1cc(=O)[nH]c2ccc(Br)cc21)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000377564607 563479015 /nfs/dbraw/zinc/47/90/15/563479015.db2.gz OLDNNYDVTMTIRO-GOSISDBHSA-N 1 0 390.281 2.919 20 0 GFADRO C[C@@H](Cn1cc(Br)cn1)[NH2+][C@@H](c1nccn1C)C1CCOCC1 ZINC000284560560 563480230 /nfs/dbraw/zinc/48/02/30/563480230.db2.gz HCZSSDPPIRRLTC-SWLSCSKDSA-N 1 0 382.306 2.525 20 0 GFADRO CN(C(=O)CC[C@H]1CCCC[N@@H+]1C)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000329523297 563481981 /nfs/dbraw/zinc/48/19/81/563481981.db2.gz GKBPUPFLRYGCKV-GDBMZVCRSA-N 1 0 384.929 2.891 20 0 GFADRO COc1ccc(CN2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)c(Br)c1 ZINC000377657076 563482310 /nfs/dbraw/zinc/48/23/10/563482310.db2.gz TUAOHSOGSCVKJZ-DNVCBOLYSA-N 1 0 396.373 2.916 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)c1n[nH]c2ccc(I)cc21 ZINC000428126718 563483091 /nfs/dbraw/zinc/48/30/91/563483091.db2.gz UNTUEBPNPHKYDC-ZANVPECISA-N 1 0 398.248 2.509 20 0 GFADRO C[C@]1(O)CCOC[C@@H]1[C@H]1CCC[N@@H+]1Cc1nc2ccccn2c1Br ZINC000377704127 563483351 /nfs/dbraw/zinc/48/33/51/563483351.db2.gz VYHBZOFWXNDRBN-SIIHOXLZSA-N 1 0 394.313 2.849 20 0 GFADRO CC(=O)Nc1ccc(CC[NH2+][C@H](C)Cn2cc(Br)ccc2=O)cc1 ZINC000428234790 563485836 /nfs/dbraw/zinc/48/58/36/563485836.db2.gz DYMNFFRSGUXGIU-CYBMUJFWSA-N 1 0 392.297 2.790 20 0 GFADRO CC(=O)Nc1ccc(CC[NH2+][C@@H](C)Cn2cc(Br)ccc2=O)cc1 ZINC000428234791 563486121 /nfs/dbraw/zinc/48/61/21/563486121.db2.gz DYMNFFRSGUXGIU-ZDUSSCGKSA-N 1 0 392.297 2.790 20 0 GFADRO CC(C)[N@@H+]1CCCN([C@H]2CCN(c3cccc(Br)c3)C2=O)CC1 ZINC000428231337 563486411 /nfs/dbraw/zinc/48/64/11/563486411.db2.gz KEQCLGJXLNFSPS-KRWDZBQOSA-N 1 0 380.330 2.971 20 0 GFADRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)Nc1cccc(Br)n1 ZINC000284741265 563488910 /nfs/dbraw/zinc/48/89/10/563488910.db2.gz KUMFNOMVWVGAJP-ZDUSSCGKSA-N 1 0 397.317 2.553 20 0 GFADRO CC(C)[NH+]1CCN([C@@H]2CCN(C[C@@H](O)c3cccc(Br)c3)C2)CC1 ZINC000377898363 563490273 /nfs/dbraw/zinc/49/02/73/563490273.db2.gz BQWFSBOHTWCFFG-RTBURBONSA-N 1 0 396.373 2.583 20 0 GFADRO COCCC[N@@H+]1CCCN(C(=O)c2cc(C(F)(F)F)cc(Cl)n2)CC1 ZINC000377939778 563491529 /nfs/dbraw/zinc/49/15/29/563491529.db2.gz JRBKCNUYSMXVGU-UHFFFAOYSA-N 1 0 379.810 2.938 20 0 GFADRO O=S1(=O)CCCN1C1CCC([NH2+]Cc2ncc(C(F)(F)F)s2)CC1 ZINC000377968377 563492355 /nfs/dbraw/zinc/49/23/55/563492355.db2.gz ZBDXUPHDNGJIPF-UHFFFAOYSA-N 1 0 383.461 2.598 20 0 GFADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@@H]1CCO[C@]2(CCSC2)C1 ZINC000428465724 563493273 /nfs/dbraw/zinc/49/32/73/563493273.db2.gz XNXLJWMLHJGJRL-XNRPHZJLSA-N 1 0 387.343 2.644 20 0 GFADRO COc1ccc2c(c1)OC[C@H]([NH2+][C@H](C)Cn1cc(Br)ccc1=O)C2 ZINC000428463209 563493302 /nfs/dbraw/zinc/49/33/02/563493302.db2.gz PBZSSUNLPXZSLE-IUODEOHRSA-N 1 0 393.281 2.601 20 0 GFADRO Cn1cncc1CNC(=O)[C@@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000378051290 563494996 /nfs/dbraw/zinc/49/49/96/563494996.db2.gz RAYACEDXHDAQGE-WBMJQRKESA-N 1 0 381.263 2.563 20 0 GFADRO CCc1[nH]nc(C(=O)Nc2cccc(C[N@@H+]3CC[C@H](O)C3)c2)c1Br ZINC000428542619 563495332 /nfs/dbraw/zinc/49/53/32/563495332.db2.gz GJINKAMCXCQXNC-ZDUSSCGKSA-N 1 0 393.285 2.554 20 0 GFADRO CS(=O)(=O)[C@H]1CCC[C@H]([NH2+]CCc2ccc(OCC(F)(F)F)nc2)C1 ZINC000284946683 563496200 /nfs/dbraw/zinc/49/62/00/563496200.db2.gz FAAUWMNJXAPAOO-KBPBESRZSA-N 1 0 380.432 2.511 20 0 GFADRO CC(C)NC(=O)NC(=O)[C@H](C)[NH2+][C@H](c1cncc(Br)c1)C1CC1 ZINC000284953889 563496751 /nfs/dbraw/zinc/49/67/51/563496751.db2.gz XCGPQLPCMSAXHN-HZMBPMFUSA-N 1 0 383.290 2.508 20 0 GFADRO Brc1cnn(CC2CC[NH+](Cc3c[nH]c4nccnc34)CC2)c1 ZINC000378126866 563497020 /nfs/dbraw/zinc/49/70/20/563497020.db2.gz JNEQSLZJEMRROY-UHFFFAOYSA-N 1 0 375.274 2.781 20 0 GFADRO [NH3+]C1C[C@H]2CCC[C@@H](C1)N2S(=O)(=O)c1ccc(F)cc1Br ZINC000378251595 563500240 /nfs/dbraw/zinc/50/02/40/563500240.db2.gz LJMMZMJZGAXEAP-YOGCLGLASA-N 1 0 377.279 2.621 20 0 GFADRO CS(=O)(=O)[C@H]1CCC[C@@H]([NH2+]CCc2nc(-c3cccc(Cl)c3)no2)C1 ZINC000285070501 563501554 /nfs/dbraw/zinc/50/15/54/563501554.db2.gz JFAARMIYKUZPLE-CABCVRRESA-N 1 0 383.901 2.878 20 0 GFADRO C[N@H+](CC/C=C\c1ccc(Br)cc1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000428790155 563502287 /nfs/dbraw/zinc/50/22/87/563502287.db2.gz QHMMAJSYBQWPIT-OICCZTGUSA-N 1 0 387.343 2.818 20 0 GFADRO C[NH+]1CCC(CNC(=O)Nc2ccc(F)cc2I)CC1 ZINC000428791142 563502365 /nfs/dbraw/zinc/50/23/65/563502365.db2.gz DOJNGLXXCQCRQK-UHFFFAOYSA-N 1 0 391.228 2.894 20 0 GFADRO C[C@H]([NH2+][C@H](CO)c1ccc(Br)cc1)C(=O)NCc1ccc(F)cc1 ZINC000428816151 563503053 /nfs/dbraw/zinc/50/30/53/563503053.db2.gz HPZKUGUOSAEPDS-YVEFUNNKSA-N 1 0 395.272 2.916 20 0 GFADRO C[C@H](NC(=O)[C@H]1CCN(c2cc(Cl)ccc2Cl)C1=O)[C@H]1CCC[NH2+]C1 ZINC000428977871 563505490 /nfs/dbraw/zinc/50/54/90/563505490.db2.gz NYOZIUCRMWYTIY-SGMGOOAPSA-N 1 0 384.307 2.851 20 0 GFADRO O=S(=O)(NCC1([NH+]2CCCC2)CCOCC1)c1csc2ccccc21 ZINC000285150712 563505737 /nfs/dbraw/zinc/50/57/37/563505737.db2.gz KSPZHWXCSBZVTH-UHFFFAOYSA-N 1 0 380.535 2.825 20 0 GFADRO CCOCCNC(=O)C[NH2+][C@H](c1cc(Cl)ccc1Cl)[C@@H]1CCOC1 ZINC000378493524 563509347 /nfs/dbraw/zinc/50/93/47/563509347.db2.gz IJFLSXMTLYHRRX-PXAZEXFGSA-N 1 0 375.296 2.813 20 0 GFADRO C[NH+]1CCN(c2ccc(NC(=O)c3cscc3Br)nc2)CC1 ZINC000285228591 563509848 /nfs/dbraw/zinc/50/98/48/563509848.db2.gz VHPOKAAACFSQBE-UHFFFAOYSA-N 1 0 381.299 2.910 20 0 GFADRO C[C@H]([NH2+]Cc1ccc(S(=O)(=O)N(C)C)cc1)[C@H]1OCCc2sccc21 ZINC000429124567 563510093 /nfs/dbraw/zinc/51/00/93/563510093.db2.gz VYPRBHGPLHMMCG-SCLBCKFNSA-N 1 0 380.535 2.791 20 0 GFADRO C[C@@H]1CN(C(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CCCC2)CC[C@@H]1[NH3+] ZINC000429175841 563510724 /nfs/dbraw/zinc/51/07/24/563510724.db2.gz LJFGIKMQAWFDBD-CJNGLKHVSA-N 1 0 384.929 2.622 20 0 GFADRO C[NH2+]C[C@H](C)CNC(=O)c1ccc(OCc2cc(C)on2)c(Br)c1 ZINC000429239189 563512444 /nfs/dbraw/zinc/51/24/44/563512444.db2.gz GKUJBMWSALEXQP-NSHDSACASA-N 1 0 396.285 2.910 20 0 GFADRO Cc1cc(CC(C)(C)[NH2+]CC(=O)NC2CCOCC2)ccc1Br ZINC000429267814 563513251 /nfs/dbraw/zinc/51/32/51/563513251.db2.gz OEMCZDSXVXKYAF-UHFFFAOYSA-N 1 0 383.330 2.963 20 0 GFADRO COC(=O)CN(C)C(=O)CC[NH2+][C@H]1c2cc(Br)ccc2CC1(C)C ZINC000429272094 563513403 /nfs/dbraw/zinc/51/34/03/563513403.db2.gz CCZBLLMYMMXIJC-KRWDZBQOSA-N 1 0 397.313 2.684 20 0 GFADRO CC1(C)Cc2ccc(Br)cc2[C@@H]1[NH2+]CC(=O)NC(=O)NC1CC1 ZINC000429293184 563514370 /nfs/dbraw/zinc/51/43/70/563514370.db2.gz KTCFHFBLLSPJPX-HNNXBMFYSA-N 1 0 380.286 2.650 20 0 GFADRO C[NH+](C)CC1CN(C(=O)c2cc(Br)cc(Br)c2)C1 ZINC000382170652 563516557 /nfs/dbraw/zinc/51/65/57/563516557.db2.gz LFBLVJIZXBEJPB-UHFFFAOYSA-N 1 0 376.092 2.845 20 0 GFADRO COc1cc(Cl)c(S(=O)(=O)N2C[C@H]([NH+]3CCCC3)C[C@H]2C)cc1OC ZINC000285389074 563517957 /nfs/dbraw/zinc/51/79/57/563517957.db2.gz SGIMVYSWTSCQIG-CHWSQXEVSA-N 1 0 388.917 2.605 20 0 GFADRO CS(=O)(=O)N1CCC[C@H](C[NH2+][C@H](CCO)c2ccc(Cl)c(Cl)c2)C1 ZINC000285383288 563518306 /nfs/dbraw/zinc/51/83/06/563518306.db2.gz BOFAGJDUWKVBCP-MLGOLLRUSA-N 1 0 395.352 2.678 20 0 GFADRO Cc1sc(NC(=O)COC2C[NH2+]C2)nc1-c1ccc(Br)cc1 ZINC000429754090 563522146 /nfs/dbraw/zinc/52/21/46/563522146.db2.gz ZDTHMXORJKTUMW-UHFFFAOYSA-N 1 0 382.283 2.808 20 0 GFADRO CNC(=O)[C@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000429773716 563522599 /nfs/dbraw/zinc/52/25/99/563522599.db2.gz LJBIZAJEZFADTE-JQWIXIFHSA-N 1 0 377.794 2.802 20 0 GFADRO O=C(NC[C@@H]1CCCN(C(=O)c2cc3sccc3s2)C1)[C@@H]1CCC[NH2+]1 ZINC000392785764 563527052 /nfs/dbraw/zinc/52/70/52/563527052.db2.gz LCPROVALRMWJHN-STQMWFEESA-N 1 0 377.535 2.683 20 0 GFADRO CC[C@H](Cc1cccc(Br)c1)C(=O)NC[C@@](C)(O)CC[NH+](C)C ZINC000429900432 563527958 /nfs/dbraw/zinc/52/79/58/563527958.db2.gz GAQMAAAWRFGSLD-QAPCUYQASA-N 1 0 385.346 2.837 20 0 GFADRO COC(=O)[C@@H](NC(=O)C[C@@H](C)C1CC[NH2+]CC1)c1ccc(Br)cc1 ZINC000429912088 563528919 /nfs/dbraw/zinc/52/89/19/563528919.db2.gz VDSRWYWKQRFPGJ-PXAZEXFGSA-N 1 0 397.313 2.805 20 0 GFADRO CN(C[C@H]1CCCN(Cc2cc(F)cc(Br)c2)C1)S(C)(=O)=O ZINC000285697076 563532275 /nfs/dbraw/zinc/53/22/75/563532275.db2.gz SDEKMGAFCCOJKZ-GFCCVEGCSA-N 1 0 393.322 2.692 20 0 GFADRO C[C@@H]1C[N@@H+](CC2CCN(C(=O)C(=O)c3ccc(Cl)s3)CC2)C[C@H](C)O1 ZINC000430062512 563532822 /nfs/dbraw/zinc/53/28/22/563532822.db2.gz UDJNVAWHZDZVGP-BETUJISGSA-N 1 0 384.929 2.932 20 0 GFADRO CS(=O)(=O)N1CCC[C@H]([NH2+]C2CC(c3cccc(Br)c3)C2)C1 ZINC000400273215 563534189 /nfs/dbraw/zinc/53/41/89/563534189.db2.gz YUBPOOXPPIKXMK-SIWZUTFBSA-N 1 0 387.343 2.709 20 0 GFADRO C[C@@H]([NH2+][C@@H]1CCCN(S(C)(=O)=O)C1)c1ccc(Br)cc1F ZINC000400153820 563534291 /nfs/dbraw/zinc/53/42/91/563534291.db2.gz CRRXQLXXUHUUPO-ZYHUDNBSSA-N 1 0 379.295 2.663 20 0 GFADRO C[C@@H](C(=O)NC[C@@H](CO)Cc1cccc(Br)c1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000430131780 563534786 /nfs/dbraw/zinc/53/47/86/563534786.db2.gz YVFOQQUACMYJSM-IVSAIRAKSA-N 1 0 397.357 2.978 20 0 GFADRO Cc1[nH]c(=O)c(Br)cc1C(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000285753155 563535144 /nfs/dbraw/zinc/53/51/44/563535144.db2.gz LWHMQPINFLGXLF-CYBMUJFWSA-N 1 0 382.302 2.662 20 0 GFADRO CC[C@H](C(=O)NC[C@@H](CO)Cc1cccc(Br)c1)[NH+](CC)CC ZINC000430146112 563536036 /nfs/dbraw/zinc/53/60/36/563536036.db2.gz GCLDOZLIRDSFIA-DOTOQJQBSA-N 1 0 385.346 2.837 20 0 GFADRO CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](CO)Cc1ccccc1Br ZINC000430158444 563536751 /nfs/dbraw/zinc/53/67/51/563536751.db2.gz VNDGRCFDRBYFHN-YOEHRIQHSA-N 1 0 383.330 2.591 20 0 GFADRO CC(C)[NH+]1CCC(C(=O)NC[C@H](CO)Cc2ccccc2Br)CC1 ZINC000430159111 563537491 /nfs/dbraw/zinc/53/74/91/563537491.db2.gz HHOYZBNUADXFNM-OAHLLOKOSA-N 1 0 397.357 2.837 20 0 GFADRO C[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2Br)[C@H]1CC[NH3+] ZINC000405255308 563538867 /nfs/dbraw/zinc/53/88/67/563538867.db2.gz LVZCATUKRWOJFV-GWCFXTLKSA-N 1 0 379.295 2.726 20 0 GFADRO COCC[C@](C)(O)C[NH2+]Cc1cc(Cl)ccc1I ZINC000405352012 563538954 /nfs/dbraw/zinc/53/89/54/563538954.db2.gz VMNRKDKWTSSMNZ-ZDUSSCGKSA-N 1 0 383.657 2.822 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)N1CC[N@@H+](C[C@@H](C)O)C[C@@H]1C ZINC000331181607 563539312 /nfs/dbraw/zinc/53/93/12/563539312.db2.gz MZOYYKYPSZUWSJ-UONOGXRCSA-N 1 0 384.318 2.985 20 0 GFADRO [NH3+][C@H]1CC[C@H](C(=O)N2CCC(C(=O)Nc3cccc(Br)c3)CC2)C1 ZINC000430253463 563539547 /nfs/dbraw/zinc/53/95/47/563539547.db2.gz FCSSNVCCEQSJAR-ZFWWWQNUSA-N 1 0 394.313 2.754 20 0 GFADRO COC(=O)CN(C)C(=O)CC[N@@H+]1CCC[C@@H]1c1ccc(Br)c(C)c1 ZINC000430246118 563539717 /nfs/dbraw/zinc/53/97/17/563539717.db2.gz RAANHOWVPULWQW-MRXNPFEDSA-N 1 0 397.313 2.916 20 0 GFADRO CC[NH2+]Cc1cn(Cc2cc(Cl)ccc2I)nn1 ZINC000405861365 563539838 /nfs/dbraw/zinc/53/98/38/563539838.db2.gz NPSBWRMPUNOBIZ-UHFFFAOYSA-N 1 0 376.629 2.694 20 0 GFADRO COc1cc(Br)ccc1CNC(=O)N1CC[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000430273595 563540353 /nfs/dbraw/zinc/54/03/53/563540353.db2.gz NXAMUALAKSDFOR-SWLSCSKDSA-N 1 0 382.302 2.693 20 0 GFADRO COCC[C@@]1(C(=O)N2CC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)CC[NH2+]C1 ZINC000430429056 563543335 /nfs/dbraw/zinc/54/33/35/563543335.db2.gz UCUBZJAWSFWBHA-KDOFPFPSSA-N 1 0 387.307 2.989 20 0 GFADRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NS(=O)(=O)c1cnccc1C(F)(F)F ZINC000331292959 563544580 /nfs/dbraw/zinc/54/45/80/563544580.db2.gz XJRPDTAKAMLCQD-UPJWGTAASA-N 1 0 379.448 2.745 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CCCN(Cc2csc(-c3ccc(S(C)(=O)=O)cc3)n2)C1 ZINC000430553130 563545301 /nfs/dbraw/zinc/54/53/01/563545301.db2.gz KUTBXZCRZYFELH-UKRRQHHQSA-N 1 0 379.551 2.773 20 0 GFADRO CCS[C@@H]1CCC[C@H]1[NH2+]CC(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000285994376 563545332 /nfs/dbraw/zinc/54/53/32/563545332.db2.gz FZDKDZPJLULFNO-ZIAGYGMSSA-N 1 0 392.493 2.885 20 0 GFADRO C[C@@H](C(=O)Nc1ccccc1Br)N1CCC(OCCC[NH3+])CC1 ZINC000430580819 563545923 /nfs/dbraw/zinc/54/59/23/563545923.db2.gz NATKURHHCFHXLA-ZDUSSCGKSA-N 1 0 384.318 2.606 20 0 GFADRO CC(C)[C@](C)(C[NH3+])NCc1nnnn1-c1ccc(Cl)cc1C(F)(F)F ZINC000430561141 563545933 /nfs/dbraw/zinc/54/59/33/563545933.db2.gz JTJXHFSNQAHFLR-AWEZNQCLSA-N 1 0 376.814 2.798 20 0 GFADRO CN(C(=O)Cc1cccc(I)c1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000286082453 563547641 /nfs/dbraw/zinc/54/76/41/563547641.db2.gz DAYQBFBUNWRQDR-XYPWUTKMSA-N 1 0 398.288 2.917 20 0 GFADRO Cc1cncc(C[NH2+][C@H](C)c2ccc(Br)c(S(N)(=O)=O)c2)c1 ZINC000430730947 563548166 /nfs/dbraw/zinc/54/81/66/563548166.db2.gz KNDUIXOYPYWYKZ-LLVKDONJSA-N 1 0 384.299 2.651 20 0 GFADRO Cc1sc(Br)cc1S(=O)(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000431016116 563551559 /nfs/dbraw/zinc/55/15/59/563551559.db2.gz STTXNUZCMZOPGR-UHFFFAOYSA-N 1 0 379.345 2.583 20 0 GFADRO CC(C)([NH3+])c1noc(CNC2(c3ccc(Br)cc3)CCOCC2)n1 ZINC000431075471 563552933 /nfs/dbraw/zinc/55/29/33/563552933.db2.gz FEQQIBXBUHXQBN-UHFFFAOYSA-N 1 0 395.301 2.821 20 0 GFADRO C[C@H]1C[C@H](N2CCOCC2)C[N@@H+]1Cc1nc2cc(Br)ccc2o1 ZINC000286234339 563553133 /nfs/dbraw/zinc/55/31/33/563553133.db2.gz ZGSBMXFVNKAVLC-JSGCOSHPSA-N 1 0 380.286 2.885 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)c1ccn(-c2ccc(Br)cc2)n1)C1CC1 ZINC000431324177 563558887 /nfs/dbraw/zinc/55/88/87/563558887.db2.gz UMMVSCSQGMUKBH-INIZCTEOSA-N 1 0 377.286 2.705 20 0 GFADRO C[NH+](C)CC[C@@](C)(O)CNC(=O)CCSc1ccc(Br)cc1 ZINC000431378939 563559380 /nfs/dbraw/zinc/55/93/80/563559380.db2.gz OCWBFGPDOPUPES-MRXNPFEDSA-N 1 0 389.359 2.750 20 0 GFADRO O=C(Nc1ccc(Cl)c(Cl)c1)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000331777594 563562004 /nfs/dbraw/zinc/56/20/04/563562004.db2.gz GQVPDZIPTKUICR-GFCCVEGCSA-N 1 0 385.295 2.669 20 0 GFADRO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)Nc2c(C)cc(C)cc2Br)C1 ZINC000431752407 563567806 /nfs/dbraw/zinc/56/78/06/563567806.db2.gz HFCHYDCIXUBSGW-CQSZACIVSA-N 1 0 396.329 2.947 20 0 GFADRO C[C@H](NC(=O)NCc1cccc(C[NH+](C)C)c1)c1ncc(Br)cn1 ZINC000431817636 563569396 /nfs/dbraw/zinc/56/93/96/563569396.db2.gz IQLCXNBTXMBXBU-LBPRGKRZSA-N 1 0 392.301 2.861 20 0 GFADRO CN(CCC[N@H+](C)Cc1ccco1)c1ncnc2c1c(Br)nn2C ZINC000286657213 563569408 /nfs/dbraw/zinc/56/94/08/563569408.db2.gz WUPXMNAGISFPQI-UHFFFAOYSA-N 1 0 393.289 2.677 20 0 GFADRO Cc1nc(Cl)c(Cl)cc1C(=O)NCc1ccc(N2CCOCC2)nc1 ZINC000286733312 563572553 /nfs/dbraw/zinc/57/25/53/563572553.db2.gz PVSUTVHZLVYSBS-UHFFFAOYSA-N 1 0 381.263 2.858 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c(Br)c1 ZINC000431988468 563573138 /nfs/dbraw/zinc/57/31/38/563573138.db2.gz XOLXTIAOXPWXBO-ZIAGYGMSSA-N 1 0 394.313 2.747 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)c(Br)c1 ZINC000332071587 563574171 /nfs/dbraw/zinc/57/41/71/563574171.db2.gz WTAMTRYLRKAACF-ZFWWWQNUSA-N 1 0 394.313 2.557 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N2CCc3c(Cl)cc(Cl)cc3[C@H]2C)C1 ZINC000332106149 563576146 /nfs/dbraw/zinc/57/61/46/563576146.db2.gz ARDUOYBOBSEMAZ-QJPTWQEYSA-N 1 0 384.307 2.635 20 0 GFADRO C[C@H]1[NH2+]CCC[C@@H]1C(=O)N1CCN(C(=O)c2c(Cl)cccc2Cl)CC1 ZINC000332106785 563576920 /nfs/dbraw/zinc/57/69/20/563576920.db2.gz HERJBGSIEIPCGQ-OLZOCXBDSA-N 1 0 384.307 2.666 20 0 GFADRO C[C@@H]1CN(C(=O)C(=O)N2CCC(c3c(Cl)cccc3Cl)CC2)C[C@H]1[NH3+] ZINC000332106496 563576943 /nfs/dbraw/zinc/57/69/43/563576943.db2.gz DWCRQTSJAWEULM-IAQYHMDHSA-N 1 0 384.307 2.505 20 0 GFADRO C[C@@H]1[NH2+]CCC[C@H]1C(=O)N1CCN(C(=O)c2cccc(Cl)c2Cl)CC1 ZINC000332134025 563578592 /nfs/dbraw/zinc/57/85/92/563578592.db2.gz PIBQYXULBKIRCZ-QWHCGFSZSA-N 1 0 384.307 2.666 20 0 GFADRO Cc1cc(CNC(=O)[C@@H]2CCC[N@@H+]2C2CC2)ccc1I ZINC000410036160 563579395 /nfs/dbraw/zinc/57/93/95/563579395.db2.gz FULYGNSKVSMLEP-HNNXBMFYSA-N 1 0 384.261 2.843 20 0 GFADRO CN(C)c1cc(NC(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)ncc1Br ZINC000332152809 563580030 /nfs/dbraw/zinc/58/00/30/563580030.db2.gz IZXUJCZBUGELTI-LOWVWBTDSA-N 1 0 382.306 2.501 20 0 GFADRO COC(=O)c1cc(NC(=O)[C@@H](C(C)C)[NH+](C)C)cc(Br)c1F ZINC000432355736 563581987 /nfs/dbraw/zinc/58/19/87/563581987.db2.gz FXZDYVNRJMNNBH-CYBMUJFWSA-N 1 0 375.238 2.900 20 0 GFADRO COC(=O)c1cccc(NC(=O)N2CC[C@H]3CC[N@H+](C)C[C@H]32)c1Br ZINC000332229542 563585946 /nfs/dbraw/zinc/58/59/46/563585946.db2.gz DAJXRZSQBAGWAN-BXUZGUMPSA-N 1 0 396.285 2.794 20 0 GFADRO C[N@H+](CC(=O)N[C@@H]1CCOc2c(Br)cccc21)[C@@H]1CCSC1 ZINC000410270658 563585990 /nfs/dbraw/zinc/58/59/90/563585990.db2.gz GVNXSRYIRSXLSS-BXUZGUMPSA-N 1 0 385.327 2.826 20 0 GFADRO C[C@@H]1CCN(C(=O)N[C@@H]2COc3cc(F)c(Br)cc32)C[C@@H]1C[NH3+] ZINC000332265059 563589147 /nfs/dbraw/zinc/58/91/47/563589147.db2.gz FIMYUSAPXZDNOB-ISTVAULSSA-N 1 0 386.265 2.648 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)Nc2cc(F)c(Br)c(Cl)c2)CCCO1 ZINC000332302964 563591758 /nfs/dbraw/zinc/59/17/58/563591758.db2.gz LNSUVVUWJSUYCK-SECBINFHSA-N 1 0 380.645 2.823 20 0 GFADRO O=S1(=O)CC[C@H]([NH2+]C[C@H]2CCCC[C@H]2O)c2cc(Br)ccc21 ZINC000332311638 563592188 /nfs/dbraw/zinc/59/21/88/563592188.db2.gz GVMHUMZOUSJBBE-BYCMXARLSA-N 1 0 388.327 2.808 20 0 GFADRO C[C@@H](C[NH+](C)C)NC(=O)Nc1cc(Br)cc(C(=O)N2CCCC2)c1 ZINC000287369786 563598608 /nfs/dbraw/zinc/59/86/08/563598608.db2.gz ZJZNJTFKJRXOEJ-LBPRGKRZSA-N 1 0 397.317 2.757 20 0 GFADRO C[C@@H](C(=O)Nc1ccc(Br)cc1)[N@@H+]1CC[C@H](C(=O)N2CCCC2)C1 ZINC000287508376 563604415 /nfs/dbraw/zinc/60/44/15/563604415.db2.gz UJFVZLDLSVELMP-KBPBESRZSA-N 1 0 394.313 2.720 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)Nc2ccc3nccnc3c2Br)C1 ZINC000332583137 563605476 /nfs/dbraw/zinc/60/54/76/563605476.db2.gz GQDGXMAUKQXNOO-GHMZBOCLSA-N 1 0 378.274 2.983 20 0 GFADRO C[C@H]1c2cc(Cl)c(Cl)cc2CCN1C(=O)C(=O)N1CCC(C[NH3+])CC1 ZINC000332588421 563605814 /nfs/dbraw/zinc/60/58/14/563605814.db2.gz IMFWKUUYVDXZNX-NSHDSACASA-N 1 0 384.307 2.636 20 0 GFADRO O=C(C1CC[NH+]([C@@H]2CCSC2)CC1)N1CCN(Cc2cccs2)CC1 ZINC000411175577 563608574 /nfs/dbraw/zinc/60/85/74/563608574.db2.gz DHSNOTHWGHWDOU-QGZVFWFLSA-N 1 0 379.595 2.610 20 0 GFADRO C[C@@H]([NH3+])C1CCN(C(=O)N[C@@H]2CCN(c3ccccc3Br)C2)CC1 ZINC000332636348 563608620 /nfs/dbraw/zinc/60/86/20/563608620.db2.gz FKZMBVHVEDSMNU-UKRRQHHQSA-N 1 0 395.345 2.797 20 0 GFADRO C[C@H]1C[N@H+](CCCNC(=O)NCCc2ccccc2Br)CCCO1 ZINC000433335841 563610238 /nfs/dbraw/zinc/61/02/38/563610238.db2.gz NHRYFDFHZIAXEF-HNNXBMFYSA-N 1 0 398.345 2.792 20 0 GFADRO CCSCC[N@@H+]1CCCN(S(=O)(=O)c2cccc3cnccc32)CC1 ZINC000287627079 563611129 /nfs/dbraw/zinc/61/11/29/563611129.db2.gz FOHLWKNDLOVBSN-UHFFFAOYSA-N 1 0 379.551 2.684 20 0 GFADRO CC(C)(NC(=O)c1ncn([C@@H]2CCC[NH2+]C2)n1)c1ccc(Br)cc1 ZINC000433398746 563611315 /nfs/dbraw/zinc/61/13/15/563611315.db2.gz FUNWUCYOPVGWMT-CQSZACIVSA-N 1 0 392.301 2.630 20 0 GFADRO CSc1cc(NC(=O)C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)ccc1Cl ZINC000411250956 563612149 /nfs/dbraw/zinc/61/21/49/563612149.db2.gz GWQLMFRVXPHUBD-ZDUSSCGKSA-N 1 0 381.929 2.945 20 0 GFADRO O=C(NCc1ccc(Br)cc1Cl)c1ncn([C@@H]2CCC[NH2+]C2)n1 ZINC000433403917 563612453 /nfs/dbraw/zinc/61/24/53/563612453.db2.gz SAPJLXHABMJRDI-GFCCVEGCSA-N 1 0 398.692 2.549 20 0 GFADRO OCCC[N@@H+](Cc1ccccn1)C[C@@H](O)c1ccc(F)c(Br)c1 ZINC000287734764 563615770 /nfs/dbraw/zinc/61/57/70/563615770.db2.gz KTSUSEWYPYLWCQ-QGZVFWFLSA-N 1 0 383.261 2.901 20 0 GFADRO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cnc2ccc(Br)cc2c1O ZINC000332898107 563616155 /nfs/dbraw/zinc/61/61/55/563616155.db2.gz MULCQMRHFMMJQB-DGCLKSJQSA-N 1 0 390.281 2.599 20 0 GFADRO COC(=O)C[C@]1([NH2+]CCC(=O)Nc2c(Cl)cccc2Cl)CCOC1 ZINC000411544474 563622987 /nfs/dbraw/zinc/62/29/87/563622987.db2.gz OGFBNEXTECWXMU-MRXNPFEDSA-N 1 0 375.252 2.634 20 0 GFADRO CS[C@H]1CN(c2ccc(S(=O)(=O)C(C)(C)C)nc2)C[C@@H]1[NH+]1CCCC1 ZINC000333205685 563624257 /nfs/dbraw/zinc/62/42/57/563624257.db2.gz ONAYBZVDVLKAHP-HOTGVXAUSA-N 1 0 383.583 2.670 20 0 GFADRO O=C(c1cnn([C@H]2CCC[NH2+]C2)c1)N1CCc2ccc(Br)cc21 ZINC000333250398 563625687 /nfs/dbraw/zinc/62/56/87/563625687.db2.gz GQLLMLIWKWIULV-HNNXBMFYSA-N 1 0 375.270 2.773 20 0 GFADRO CS[C@H]1CN(c2cc(Br)cnc2C(N)=O)C[C@H]1[NH+]1CCCC1 ZINC000333255616 563625963 /nfs/dbraw/zinc/62/59/63/563625963.db2.gz ZIDGBNWYVVWYGL-OLZOCXBDSA-N 1 0 385.331 2.743 20 0 GFADRO C[NH+](C)C[C@@H](NC(=O)Cc1cc[nH]c(=O)c1Br)c1ccc(F)cc1 ZINC000288034656 563626219 /nfs/dbraw/zinc/62/62/19/563626219.db2.gz DGONTZRDIFXGRV-CQSZACIVSA-N 1 0 396.260 2.650 20 0 GFADRO CSc1ccc(OC[C@@H](O)CN2CCSC[C@@H]2c2cnn(C)c2)cc1 ZINC000411624640 563626585 /nfs/dbraw/zinc/62/65/85/563626585.db2.gz JTBOJKDHBHQZHD-MAUKXSAKSA-N 1 0 379.551 2.672 20 0 GFADRO O=C(NC1CC[NH+](Cc2ccccn2)CC1)c1ncsc1Br ZINC000288110590 563629517 /nfs/dbraw/zinc/62/95/17/563629517.db2.gz VMRPZUQRNIFRKS-UHFFFAOYSA-N 1 0 381.299 2.695 20 0 GFADRO Cc1cc(Br)c(C(=O)NCC2(O)CC[NH+](C)CC2)cc1Cl ZINC000288141109 563630976 /nfs/dbraw/zinc/63/09/76/563630976.db2.gz YVJJCFHBYBJMAE-UHFFFAOYSA-N 1 0 375.694 2.597 20 0 GFADRO Cn1ccnc1[C@H]1OCCC[C@@H]1[NH2+]Cc1cnc2ccc(Br)cn12 ZINC000333413712 563631589 /nfs/dbraw/zinc/63/15/89/563631589.db2.gz HJHRRWXJGCWFIJ-HOCLYGCPSA-N 1 0 390.285 2.840 20 0 GFADRO CC(C)Oc1ccc([C@@H](CNC(=O)CSc2nncs2)[NH+](C)C)cc1 ZINC000288178941 563632805 /nfs/dbraw/zinc/63/28/05/563632805.db2.gz HBUNUWYUCUAGIV-OAHLLOKOSA-N 1 0 380.539 2.837 20 0 GFADRO [NH3+][C@H]1CCCO[C@@H]1C1CCN(S(=O)(=O)c2ccc(C(F)(F)F)s2)CC1 ZINC000333499425 563634818 /nfs/dbraw/zinc/63/48/18/563634818.db2.gz FEWVFYCSOWMNDE-SMDDNHRTSA-N 1 0 398.472 2.674 20 0 GFADRO COCC[C@H](Cc1cccc(Br)c1)C(=O)N1CC[NH2+][C@H](C)[C@@H]1C ZINC000434704539 563635125 /nfs/dbraw/zinc/63/51/25/563635125.db2.gz YLFCDLIKJAVVEB-IJEWVQPXSA-N 1 0 383.330 2.853 20 0 GFADRO C[N@@H+](CCC(=O)Nc1cccc(Br)c1)CCN1CCOC(C)(C)C1 ZINC000434693775 563635391 /nfs/dbraw/zinc/63/53/91/563635391.db2.gz OHZUBYUYYLUUIX-UHFFFAOYSA-N 1 0 398.345 2.820 20 0 GFADRO O[C@H](COc1ccc(Br)cc1)C[NH+]1CCC(c2ccncn2)CC1 ZINC000411829640 563637186 /nfs/dbraw/zinc/63/71/86/563637186.db2.gz OGKOXGLGTWWGLP-INIZCTEOSA-N 1 0 392.297 2.858 20 0 GFADRO CN(C)c1cc(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)ncc1Br ZINC000333650179 563638176 /nfs/dbraw/zinc/63/81/76/563638176.db2.gz KGBYMRJVCYBBDH-GXTWGEPZSA-N 1 0 396.333 2.858 20 0 GFADRO Brc1ccc(-n2cc(C[NH2+]CC3(N4CCOCC4)CC3)cn2)cc1 ZINC000434793137 563638683 /nfs/dbraw/zinc/63/86/83/563638683.db2.gz JKEUUXNUBGBAKZ-UHFFFAOYSA-N 1 0 391.313 2.589 20 0 GFADRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)NCC3(c4ccccc4Br)CC3)C[C@@H]12 ZINC000333685397 563639170 /nfs/dbraw/zinc/63/91/70/563639170.db2.gz ZZQLCIMCZWPKLZ-WOSRLPQWSA-N 1 0 378.314 2.859 20 0 GFADRO [NH3+][C@H]1CCO[C@@H](C2CCN(S(=O)(=O)c3ccc(Cl)c(Cl)c3)CC2)C1 ZINC000333715506 563639995 /nfs/dbraw/zinc/63/99/95/563639995.db2.gz SZEZEMRGQVLNNR-BLLLJJGKSA-N 1 0 393.336 2.900 20 0 GFADRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)N[C@H]3CCN(c4ccc(Cl)c(Cl)c4)C3)C[C@H]12 ZINC000333787840 563641962 /nfs/dbraw/zinc/64/19/62/563641962.db2.gz MAFMDNZSIXOVNA-CXUUEIJPSA-N 1 0 383.323 2.951 20 0 GFADRO CCCC[N@H+](C)C[C@H](C)NS(=O)(=O)c1ccc(NC(C)=O)c(Cl)c1 ZINC000288418963 563642073 /nfs/dbraw/zinc/64/20/73/563642073.db2.gz OIDDAXBNYIZRHI-LBPRGKRZSA-N 1 0 375.922 2.697 20 0 GFADRO O=C(N1CCCC1)N1CCC[C@@H]([NH2+]Cc2cccc(O)c2Br)C1 ZINC000333840886 563642871 /nfs/dbraw/zinc/64/28/71/563642871.db2.gz NKWIJHKKMGXLLH-CQSZACIVSA-N 1 0 382.302 2.925 20 0 GFADRO C[C@@H]1[C@H](NC(=O)c2cc(Br)nn2C)CC[N@@H+]1Cc1ccccc1 ZINC000288444725 563643687 /nfs/dbraw/zinc/64/36/87/563643687.db2.gz YRNSFVJUOUYVHZ-TZMCWYRMSA-N 1 0 377.286 2.575 20 0 GFADRO CNc1cc(I)ccc1C(=O)N(C)CC[NH+]1CCCC1 ZINC000412003575 563643850 /nfs/dbraw/zinc/64/38/50/563643850.db2.gz QGDHMAVFNHEFIQ-UHFFFAOYSA-N 1 0 387.265 2.501 20 0 GFADRO O=C(C[NH2+][C@H](CO)[C@H]1CCCOC1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000411997226 563644060 /nfs/dbraw/zinc/64/40/60/563644060.db2.gz UEDCUKKEHDLLKJ-IINYFYTJSA-N 1 0 380.794 2.674 20 0 GFADRO OC[C@H]([NH2+]Cc1ncc(-c2cccc(Br)c2)o1)[C@H]1CCCOC1 ZINC000411999678 563644189 /nfs/dbraw/zinc/64/41/89/563644189.db2.gz XVBHVMXFHCKQFN-ZFWWWQNUSA-N 1 0 381.270 2.981 20 0 GFADRO COc1ccc([C@H](C)NC(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)cc1Br ZINC000333882475 563644689 /nfs/dbraw/zinc/64/46/89/563644689.db2.gz DXGLQCQBGQDDCF-UBHSHLNASA-N 1 0 382.302 2.770 20 0 GFADRO COC1([C@@H](C)[NH2+]CC(=O)Nc2ccc(I)cc2)CCC1 ZINC000412018632 563645008 /nfs/dbraw/zinc/64/50/08/563645008.db2.gz BYXMWEGVLOKTSM-LLVKDONJSA-N 1 0 388.249 2.777 20 0 GFADRO Cc1cc(Br)cc(C)c1S(=O)(=O)N1CCC[C@H]1C[NH+](C)C ZINC000435214145 563645161 /nfs/dbraw/zinc/64/51/61/563645161.db2.gz AYPNQUKGBDBIAQ-AWEZNQCLSA-N 1 0 375.332 2.781 20 0 GFADRO COC(=O)[C@@H]1CSCC[N@@H+]([C@H](C)C(=O)N[C@H](C)c2ccc(Cl)cc2)C1 ZINC000412074239 563646439 /nfs/dbraw/zinc/64/64/39/563646439.db2.gz LKGXOLJCBRPMAV-NFAWXSAZSA-N 1 0 384.929 2.744 20 0 GFADRO COC(=O)CC[C@@H]([NH3+])C(=O)NC1(c2ccc(Br)cc2)CCCC1 ZINC000288598963 563649484 /nfs/dbraw/zinc/64/94/84/563649484.db2.gz KIXUEZVYINBVRB-CQSZACIVSA-N 1 0 383.286 2.615 20 0 GFADRO Cc1ncsc1CN(CC(=O)N[C@@H](C)c1cccs1)C[C@H]1CC[NH2+]C1 ZINC000435737794 563657450 /nfs/dbraw/zinc/65/74/50/563657450.db2.gz LZPWKEHPZXFQJN-GJZGRUSLSA-N 1 0 378.567 2.802 20 0 GFADRO CN(C(=O)CCS(=O)(=O)c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000288811025 563658310 /nfs/dbraw/zinc/65/83/10/563658310.db2.gz NARVXLGFJWTWQH-XYPWUTKMSA-N 1 0 384.929 2.587 20 0 GFADRO CN(CCn1cc(Br)cn1)C(=O)Nc1ccccc1CC[NH+](C)C ZINC000288861366 563659772 /nfs/dbraw/zinc/65/97/72/563659772.db2.gz PEVGAURINIOOKQ-UHFFFAOYSA-N 1 0 394.317 2.914 20 0 GFADRO O=C1[C@@H]2CSCCN2C(=O)N1C[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000349226846 563661671 /nfs/dbraw/zinc/66/16/71/563661671.db2.gz MBVDJEHAGKQASI-HOTGVXAUSA-N 1 0 379.913 2.857 20 0 GFADRO CN1C[C@H](C[NH2+][C@H](C(N)=O)c2cccc(Br)c2)Cc2ccccc21 ZINC000435990325 563662206 /nfs/dbraw/zinc/66/22/06/563662206.db2.gz AUISVVVBDYAHLG-UGSOOPFHSA-N 1 0 388.309 2.874 20 0 GFADRO CCCN(CC[NH+]1CCCCC1)C(=O)Nc1cc(Br)cn(C)c1=O ZINC000289037316 563665890 /nfs/dbraw/zinc/66/58/90/563665890.db2.gz JVJQTLKXMQMROW-UHFFFAOYSA-N 1 0 399.333 2.878 20 0 GFADRO CC(C)[NH+]1CCC(NC(=O)C(C)(C)S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000289103453 563667891 /nfs/dbraw/zinc/66/78/91/563667891.db2.gz PWMCYNPOTVZJMP-UHFFFAOYSA-N 1 0 386.945 2.881 20 0 GFADRO Cn1ncc(Cl)c1C[NH2+]C[C@@H](CO)Cc1cccc(OC(F)(F)F)c1 ZINC000436240180 563668335 /nfs/dbraw/zinc/66/83/35/563668335.db2.gz NVMLDJQTJWAYAA-LBPRGKRZSA-N 1 0 377.794 2.913 20 0 GFADRO O=S(=O)(NC1CC[NH+](CC[C@H](O)c2ccccc2)CC1)c1cccs1 ZINC000289147030 563669721 /nfs/dbraw/zinc/66/97/21/563669721.db2.gz GAAREPKLQDGCRF-KRWDZBQOSA-N 1 0 380.535 2.615 20 0 GFADRO CN(C)CC[N@H+](C)CCCNC(=O)Nc1cc2c(cc1Br)CCC2 ZINC000436507833 563672786 /nfs/dbraw/zinc/67/27/86/563672786.db2.gz GLMOPNNDOFXQNW-UHFFFAOYSA-N 1 0 397.361 2.943 20 0 GFADRO CN(C)CC[N@H+](C)CCCNC(=O)Nc1cc(Br)c(F)cc1F ZINC000436510119 563672869 /nfs/dbraw/zinc/67/28/69/563672869.db2.gz MPYVLEJNWCVISV-UHFFFAOYSA-N 1 0 393.276 2.732 20 0 GFADRO CC[NH+]1CCN([C@H](C)CNc2nccc3cc(Br)ccc32)CC1 ZINC000413058043 563680518 /nfs/dbraw/zinc/68/05/18/563680518.db2.gz ZPQRUGYEIDUAJZ-CQSZACIVSA-N 1 0 377.330 3.435 20 0 GFADRO CNS(=O)(=O)c1cccc(C[NH2+][C@H](C)c2ccc(Br)nc2)c1 ZINC000289646077 563682011 /nfs/dbraw/zinc/68/20/11/563682011.db2.gz HZZITAKIUWQOBS-LLVKDONJSA-N 1 0 384.299 2.603 20 0 GFADRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+]C[C@]2(C)OCCc3sccc32)cc1 ZINC000289664303 563682252 /nfs/dbraw/zinc/68/22/52/563682252.db2.gz GWNRLTMHLADQNF-UGSOOPFHSA-N 1 0 380.535 2.795 20 0 GFADRO CO[C@H](C(=O)Nc1cc(Br)ccc1N1CC[NH+](C)CC1)C1CC1 ZINC000413254130 563687089 /nfs/dbraw/zinc/68/70/89/563687089.db2.gz BPTLIKBPDLSBQC-INIZCTEOSA-N 1 0 382.302 2.564 20 0 GFADRO COc1ccc([C@@H](NC(=O)[C@H](C[NH3+])OC)c2ccccc2)cc1Br ZINC000289845056 563688946 /nfs/dbraw/zinc/68/89/46/563688946.db2.gz FKRGFUQNHXGLLZ-IRXDYDNUSA-N 1 0 393.281 2.637 20 0 GFADRO Brc1ccccc1-n1cc(CNC[C@@H]2CC[N@@H+](C3CC3)C2)nn1 ZINC000289867680 563689386 /nfs/dbraw/zinc/68/93/86/563689386.db2.gz LODXPECGLIVSTF-ZDUSSCGKSA-N 1 0 376.302 2.604 20 0 GFADRO COCCC[N@@H+]1CCCN(C(=O)c2cc(OC)ccc2Br)CC1 ZINC000360173008 563691223 /nfs/dbraw/zinc/69/12/23/563691223.db2.gz LDEGGYKUYLSVTH-UHFFFAOYSA-N 1 0 385.302 2.642 20 0 GFADRO CCOc1cc(C[NH2+]CCS(=O)(=O)C(C)C)cc(Br)c1OC ZINC000289953914 563692173 /nfs/dbraw/zinc/69/21/73/563692173.db2.gz BQWIFFDHNBNJFJ-UHFFFAOYSA-N 1 0 394.331 2.769 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000360455639 563692565 /nfs/dbraw/zinc/69/25/65/563692565.db2.gz RWSRJGBJFBZYPO-VHDGCEQUSA-N 1 0 393.336 2.866 20 0 GFADRO COc1ccc([C@@H]([NH2+]CCCn2cc(CO)nn2)C(C)C)c(Br)c1 ZINC000289995606 563693846 /nfs/dbraw/zinc/69/38/46/563693846.db2.gz YTGVWPOKPZZQIF-KRWDZBQOSA-N 1 0 397.317 2.919 20 0 GFADRO COCC(COC)[NH+]1CCN(c2ccnc3c(Br)cccc23)CC1 ZINC000413474143 563694037 /nfs/dbraw/zinc/69/40/37/563694037.db2.gz MQHQTZVGVRLGQG-UHFFFAOYSA-N 1 0 394.313 2.781 20 0 GFADRO CC(C)(CO)[C@H]([NH2+]C[C@H](O)c1ccc(S(C)(=O)=O)cc1)c1cccs1 ZINC000289999334 563694305 /nfs/dbraw/zinc/69/43/05/563694305.db2.gz YXBKNHGROBEIOQ-DOTOQJQBSA-N 1 0 383.535 2.534 20 0 GFADRO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]C[C@H]1CN2CCC[C@H]2CO1 ZINC000360890179 563695035 /nfs/dbraw/zinc/69/50/35/563695035.db2.gz XTXNEHNNCQLOMZ-COXVUDFISA-N 1 0 396.329 2.619 20 0 GFADRO COc1cc(Br)c(C[NH2+][C@@H]2CCN(c3cnn(C)c3)C2)cc1OC ZINC000361011098 563696128 /nfs/dbraw/zinc/69/61/28/563696128.db2.gz HPCKMTJUQJXWNO-CYBMUJFWSA-N 1 0 395.301 2.568 20 0 GFADRO CC1CCN(C(=S)SCC(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)CC1 ZINC000361167153 563697002 /nfs/dbraw/zinc/69/70/02/563697002.db2.gz DXKPPLLBQSHCDY-KRWDZBQOSA-N 1 0 383.627 2.927 20 0 GFADRO O=C(Nc1cnn(CC[NH+]2CCCCC2)c1)c1cccnc1Br ZINC000361103833 563697087 /nfs/dbraw/zinc/69/70/87/563697087.db2.gz OYRQJPLDDQQGRO-UHFFFAOYSA-N 1 0 378.274 2.779 20 0 GFADRO CC(C)S(=O)(=O)CC[NH2+]C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000290163736 563699973 /nfs/dbraw/zinc/69/99/73/563699973.db2.gz DIGVEFHDEHETQY-UHFFFAOYSA-N 1 0 376.925 2.856 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CN1CC[NH+]([C@H]2CCSC2)CC1 ZINC000361942614 563701802 /nfs/dbraw/zinc/70/18/02/563701802.db2.gz IFTMTULQLYTKJN-HNNXBMFYSA-N 1 0 398.370 2.819 20 0 GFADRO C[C@@H](O)C[N@@H+]1CCN(C(=O)N[C@@H]2C[C@H]2c2ccc(Cl)cc2Cl)C[C@@H]1C ZINC000438370934 563704909 /nfs/dbraw/zinc/70/49/09/563704909.db2.gz KRSAOBYXBHGWSO-IUPKNAOTSA-N 1 0 386.323 2.946 20 0 GFADRO Cc1ccc(Br)c(CNC(=O)N2CC[NH+](C3CCOCC3)CC2)c1 ZINC000413747661 563704973 /nfs/dbraw/zinc/70/49/73/563704973.db2.gz VHVDDUVCTIRHMP-UHFFFAOYSA-N 1 0 396.329 2.764 20 0 GFADRO C[N@@H+]1CC[C@H]2CCN(C(=O)c3cn(-c4ccc(Br)cc4)cn3)C[C@@H]21 ZINC000362277185 563705547 /nfs/dbraw/zinc/70/55/47/563705547.db2.gz CXKUMMXCXCODQL-GUYCJALGSA-N 1 0 389.297 2.801 20 0 GFADRO O=C(CCNc1ncc(C(F)(F)F)cc1Cl)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000290357064 563706130 /nfs/dbraw/zinc/70/61/30/563706130.db2.gz JGURDOBPCRFZDR-WDEREUQCSA-N 1 0 376.810 2.624 20 0 GFADRO O=S1(=O)CCCN1CC[N@H+]1CCC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000438546031 563707094 /nfs/dbraw/zinc/70/70/94/563707094.db2.gz LTRHJFCFWPCQGC-CQSZACIVSA-N 1 0 393.336 2.872 20 0 GFADRO Cc1ncc(CN2CC[C@H]([NH2+][C@@H]3CCCC[C@H]3S(C)(=O)=O)[C@@H](C)C2)s1 ZINC000362475420 563707596 /nfs/dbraw/zinc/70/75/96/563707596.db2.gz YNPPMSJRRZCMIU-VIBAHUMZSA-N 1 0 385.599 2.607 20 0 GFADRO COC(=O)[C@@H](CC(C)C)NC(=O)C[NH2+]C(C)(C)c1ccc(Br)cc1 ZINC000438667664 563708679 /nfs/dbraw/zinc/70/86/79/563708679.db2.gz CIILVURLPQCPNI-OAHLLOKOSA-N 1 0 399.329 2.978 20 0 GFADRO Cc1ccc(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1I ZINC000362810804 563709613 /nfs/dbraw/zinc/70/96/13/563709613.db2.gz IAWASVNYTPZKMC-KGLIPLIRSA-N 1 0 384.261 2.956 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2C(=O)c1ccc(Br)c(F)c1 ZINC000362796811 563709688 /nfs/dbraw/zinc/70/96/88/563709688.db2.gz KKKIOIXACGSZBZ-UHOFOFEASA-N 1 0 385.277 2.912 20 0 GFADRO COC(=O)[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2cc(Cl)cc(Cl)c2)CC[N@H+](C)C1 ZINC000413893400 563710015 /nfs/dbraw/zinc/71/00/15/563710015.db2.gz AVOYWIVAQSRBGZ-UHOFOFEASA-N 1 0 385.291 2.660 20 0 GFADRO COC(=O)[C@@H]1CN(C(=O)CCCc2cc(Cl)sc2Cl)CC[N@H+](C)C1 ZINC000413911842 563710714 /nfs/dbraw/zinc/71/07/14/563710714.db2.gz ZFCAXARAIPPOOB-LBPRGKRZSA-N 1 0 393.336 2.941 20 0 GFADRO O=C(Nc1c(F)cccc1Br)C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000438808125 563711341 /nfs/dbraw/zinc/71/13/41/563711341.db2.gz RRBAUOVIMIXEPL-LLVKDONJSA-N 1 0 398.276 2.660 20 0 GFADRO C[N@@H+]1CC[C@H](CNC(=O)c2cc(C(N)=O)cs2)[C@H]1c1cccc(Cl)c1 ZINC000363066220 563713570 /nfs/dbraw/zinc/71/35/70/563713570.db2.gz MHDCOQKKZXHVNV-MLGOLLRUSA-N 1 0 377.897 2.923 20 0 GFADRO O=C(CCCOc1ccccc1Br)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000363117242 563714949 /nfs/dbraw/zinc/71/49/49/563714949.db2.gz FUDGRFIHBWTVDW-GJZGRUSLSA-N 1 0 397.313 2.588 20 0 GFADRO CCNC(=O)c1cccc(C[NH2+][C@H](C)Cn2cc(Br)ccc2=O)c1 ZINC000414060147 563717213 /nfs/dbraw/zinc/71/72/13/563717213.db2.gz AOKPBLNJUXBGSQ-CYBMUJFWSA-N 1 0 392.297 2.539 20 0 GFADRO CC(=O)Nc1ccc(C[NH2+][C@@H](C)Cn2cc(Br)ccc2=O)cc1 ZINC000414057463 563717260 /nfs/dbraw/zinc/71/72/60/563717260.db2.gz FVRYBTSLYQVMOK-LBPRGKRZSA-N 1 0 378.270 2.748 20 0 GFADRO COc1cccc(C[NH2+][C@H](C)Cn2cc(Br)ccc2=O)c1OC ZINC000414083983 563717902 /nfs/dbraw/zinc/71/79/02/563717902.db2.gz XJBLFISREFRFDC-GFCCVEGCSA-N 1 0 381.270 2.806 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)N2CCC(n3cc(Br)cn3)CC2)C1 ZINC000363311073 563718916 /nfs/dbraw/zinc/71/89/16/563718916.db2.gz QKNXEOHLEGDETB-GDBMZVCRSA-N 1 0 398.349 2.865 20 0 GFADRO COCC[C@H](Cc1ccco1)[NH2+][C@@H](C)Cn1cc(Br)ccc1=O ZINC000414109794 563719335 /nfs/dbraw/zinc/71/93/35/563719335.db2.gz NLRDMNYNBFWXLV-DZGCQCFKSA-N 1 0 383.286 2.830 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)Cc1ccc(Br)s1 ZINC000363332158 563719786 /nfs/dbraw/zinc/71/97/86/563719786.db2.gz VCLJRLXCJQKIMH-BNOWGMLFSA-N 1 0 387.343 2.763 20 0 GFADRO CC[C@@H]1C[N@H+](C)CCCN1S(=O)(=O)c1cc(Br)c(F)cc1F ZINC000439210459 563719884 /nfs/dbraw/zinc/71/98/84/563719884.db2.gz BCOAOHPCEADWFY-SNVBAGLBSA-N 1 0 397.285 2.832 20 0 GFADRO CC[C@H]1C[N@H+](C)CCCN1S(=O)(=O)Cc1ccc(Br)cc1 ZINC000439215236 563719928 /nfs/dbraw/zinc/71/99/28/563719928.db2.gz PSSOHXBVOZSPMB-HNNXBMFYSA-N 1 0 375.332 2.695 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)C(=O)N(C)CC[NH+]1CCCC1 ZINC000439208835 563719989 /nfs/dbraw/zinc/71/99/89/563719989.db2.gz IIVUPRDLBLILPR-UHFFFAOYSA-N 1 0 382.302 2.504 20 0 GFADRO C[NH+](C)C1(CNS(=O)(=O)c2ccc(F)c(Br)c2)CCCC1 ZINC000439244793 563720710 /nfs/dbraw/zinc/72/07/10/563720710.db2.gz HGBYTYZOBKXITJ-UHFFFAOYSA-N 1 0 379.295 2.741 20 0 GFADRO C[C@H]([NH2+]CCCNS(=O)(=O)c1ccccc1Cl)c1cc2n(n1)CCC2 ZINC000414151655 563721096 /nfs/dbraw/zinc/72/10/96/563721096.db2.gz PZSQQHDIXSYZLQ-ZDUSSCGKSA-N 1 0 382.917 2.502 20 0 GFADRO O=C(NCCCC[NH+]1CCCC1)N1CCC(n2cc(Br)cn2)CC1 ZINC000363396238 563721391 /nfs/dbraw/zinc/72/13/91/563721391.db2.gz VQPIMLJGNAWIGQ-UHFFFAOYSA-N 1 0 398.349 2.868 20 0 GFADRO C[C@H]1CC[N@H+](C)CCN1C(=O)C(=O)Nc1cc(Cl)ccc1Br ZINC000439340763 563722890 /nfs/dbraw/zinc/72/28/90/563722890.db2.gz KNBQQNCEUOJHFK-JTQLQIEISA-N 1 0 388.693 2.594 20 0 GFADRO C[C@@H]1C[N@@H+](C2CCN(C(=O)Cc3ccc(F)c(Br)c3)CC2)CCO1 ZINC000363431956 563722942 /nfs/dbraw/zinc/72/29/42/563722942.db2.gz BTXVWVCAYSCMIX-CYBMUJFWSA-N 1 0 399.304 2.842 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)N1CC[N@@H+](C)CC[C@H]1C ZINC000439360730 563722947 /nfs/dbraw/zinc/72/29/47/563722947.db2.gz RBZDHNIFMYXQNT-CYBMUJFWSA-N 1 0 382.302 2.557 20 0 GFADRO OC[C@H]([NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1)c1ccccc1 ZINC000439427247 563723868 /nfs/dbraw/zinc/72/38/68/563723868.db2.gz CRSXCBOHWUQWTR-WBVHZDCISA-N 1 0 384.245 2.651 20 0 GFADRO CCCC[NH+]1CCC(NC(=O)N(C)CCn2cc(Br)cn2)CC1 ZINC000290852633 563724067 /nfs/dbraw/zinc/72/40/67/563724067.db2.gz ATMCUHVBOUMZEU-UHFFFAOYSA-N 1 0 386.338 2.552 20 0 GFADRO C[NH+](C)CC1(NC(=O)Nc2ccc(S(C)(=O)=O)c(C(F)F)c2)CCC1 ZINC000439382852 563724066 /nfs/dbraw/zinc/72/40/66/563724066.db2.gz RMBILIPLYDQQNC-UHFFFAOYSA-N 1 0 375.441 2.634 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+][C@H]2CCc3ccccc3C2)cc1Br ZINC000414272542 563724399 /nfs/dbraw/zinc/72/43/99/563724399.db2.gz XNWVIWHHANHBMI-HNNXBMFYSA-N 1 0 395.322 2.744 20 0 GFADRO COC[C@@H]1CCC[N@H+](C[C@@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000439436173 563724539 /nfs/dbraw/zinc/72/45/39/563724539.db2.gz HRGAKYINNMAYPP-IUODEOHRSA-N 1 0 376.266 2.686 20 0 GFADRO C[C@H](CCc1ccco1)[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000414272486 563724561 /nfs/dbraw/zinc/72/45/61/563724561.db2.gz XHDHWCKTNCGARG-LLVKDONJSA-N 1 0 387.299 2.800 20 0 GFADRO OC[C@@H]([NH2+]C[C@H](O)COc1cc(F)cc(Br)c1)c1ccsc1 ZINC000439438562 563724771 /nfs/dbraw/zinc/72/47/71/563724771.db2.gz LHERTIFZZATLEH-DZGCQCFKSA-N 1 0 390.274 2.713 20 0 GFADRO CC[C@H]([NH2+]C[C@H](O)COc1cc(F)cc(Br)c1)[C@@H]1CCCO1 ZINC000439454377 563725782 /nfs/dbraw/zinc/72/57/82/563725782.db2.gz NGTUIJNAHHSXSQ-BPUTZDHNSA-N 1 0 376.266 2.875 20 0 GFADRO C[C@](O)(CNC(=O)NC1CC[NH+](Cc2cccs2)CC1)c1ccsc1 ZINC000363555534 563726147 /nfs/dbraw/zinc/72/61/47/563726147.db2.gz RLMBJSJMJCULDR-SFHVURJKSA-N 1 0 379.551 2.981 20 0 GFADRO C[C@@H](Cn1cc(Br)cn1)[NH2+][C@H]1CCN(c2ccc(F)cc2)C1=O ZINC000414316059 563726292 /nfs/dbraw/zinc/72/62/92/563726292.db2.gz NLFVSVLKVMUAJB-NHYWBVRUSA-N 1 0 381.249 2.568 20 0 GFADRO C[NH+](C)[C@@H]1CCc2ccccc2[C@H]1NC(=O)CSc1n[n-]c(=S)s1 ZINC000363587211 563727504 /nfs/dbraw/zinc/72/75/04/563727504.db2.gz QDIBTUCZMOFKCO-TZMCWYRMSA-N 1 0 380.564 2.653 20 0 GFADRO CCS(=O)(=O)CCC[NH2+]C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000414337668 563727761 /nfs/dbraw/zinc/72/77/61/563727761.db2.gz JIZVWZGGVDSBLJ-UHFFFAOYSA-N 1 0 376.925 2.858 20 0 GFADRO CC(C)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(F)c(I)c1 ZINC000414350755 563728553 /nfs/dbraw/zinc/72/85/53/563728553.db2.gz UVBDFBUHFAHKJM-VHSXEESVSA-N 1 0 378.229 2.994 20 0 GFADRO CCCC(O)(CCC)C[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000414363245 563729342 /nfs/dbraw/zinc/72/93/42/563729342.db2.gz XHKCLGGVYDBYHN-UHFFFAOYSA-N 1 0 393.347 2.517 20 0 GFADRO COCCC[N@@H+]1CCCN(C(=O)CCc2ccccc2Br)CC1 ZINC000363649113 563729554 /nfs/dbraw/zinc/72/95/54/563729554.db2.gz URJJXVHCCKKCTQ-UHFFFAOYSA-N 1 0 383.330 2.953 20 0 GFADRO C[C@H](C(=O)Nc1cc(Cl)ccc1Cl)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000363733842 563731617 /nfs/dbraw/zinc/73/16/17/563731617.db2.gz TXKJIFORLHWARC-JLZZUVOBSA-N 1 0 386.323 2.851 20 0 GFADRO O=C(N[C@H]1CCCC[C@H]1N1CCOCC1)c1cc(F)c(Cl)nc1Cl ZINC000363761696 563732243 /nfs/dbraw/zinc/73/22/43/563732243.db2.gz FMMWEFCGAOGTAB-QWHCGFSZSA-N 1 0 376.259 2.901 20 0 GFADRO Cc1c(Br)cccc1S(=O)(=O)N1CCN(C)c2cc[nH+]cc21 ZINC000439881460 563732850 /nfs/dbraw/zinc/73/28/50/563732850.db2.gz MZSHRJHGRNOIMT-UHFFFAOYSA-N 1 0 382.283 2.798 20 0 GFADRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C[C@@H]1Sc2ccc(Cl)cc2NC1=O ZINC000363846709 563734725 /nfs/dbraw/zinc/73/47/25/563734725.db2.gz MYDMGYFQVQNTPF-HQQWDMGQSA-N 1 0 379.913 2.742 20 0 GFADRO CN(CC[N@H+](C)C1CCCCC1)C(=O)c1nc2ccc(Br)cn2n1 ZINC000414419550 563735328 /nfs/dbraw/zinc/73/53/28/563735328.db2.gz ZWHFKUVOIYEVHT-UHFFFAOYSA-N 1 0 394.317 2.828 20 0 GFADRO CS(=O)(=O)c1ccc(C[NH2+]C[C@@H]2CSCCN2Cc2ccccc2)s1 ZINC000414438346 563737581 /nfs/dbraw/zinc/73/75/81/563737581.db2.gz RMWXNBZOCNLOAS-MRXNPFEDSA-N 1 0 396.603 2.859 20 0 GFADRO CC(=O)N[C@@H]1CCCN(C(=O)C2CC[NH+](Cc3ccc(Cl)s3)CC2)C1 ZINC000363964715 563738350 /nfs/dbraw/zinc/73/83/50/563738350.db2.gz WKKJZKKBRYZLTD-OAHLLOKOSA-N 1 0 383.945 2.741 20 0 GFADRO C[NH+](C)CCN(C1CC1)S(=O)(=O)c1cc(Cl)ccc1Br ZINC000414458430 563740234 /nfs/dbraw/zinc/74/02/34/563740234.db2.gz HMWVGMWBWZGLRZ-UHFFFAOYSA-N 1 0 381.723 2.817 20 0 GFADRO C[NH2+]CC1CCN(S(=O)(=O)c2c(C)cc(Br)cc2C)CC1 ZINC000440411057 563741551 /nfs/dbraw/zinc/74/15/51/563741551.db2.gz RKRZXPRTKITXOZ-UHFFFAOYSA-N 1 0 375.332 2.686 20 0 GFADRO O=C(CN1CCC[C@@H]1C[N@H+]1CCC[C@@H]1CO)Nc1ccc(Cl)c(Cl)c1 ZINC000364057376 563741797 /nfs/dbraw/zinc/74/17/97/563741797.db2.gz RNXBWPNDVPDNJO-HUUCEWRRSA-N 1 0 386.323 2.853 20 0 GFADRO COCC(COC)[NH+]1CCN(C[C@@H](C)c2cccc(Br)c2)CC1 ZINC000414469213 563742565 /nfs/dbraw/zinc/74/25/65/563742565.db2.gz FSWWHANKDYUKQH-OAHLLOKOSA-N 1 0 385.346 2.832 20 0 GFADRO O=C([C@@H]1C[C@@H]1c1ccc(Br)cc1)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000364110654 563743090 /nfs/dbraw/zinc/74/30/90/563743090.db2.gz JNQLTBHCTMXPKJ-BDXSIMOUSA-N 1 0 393.325 2.610 20 0 GFADRO O=C(N[C@@H]1CCC[NH2+]C1)[C@H]1CCCN1c1ncc(C(F)(F)F)cc1Cl ZINC000364154051 563744731 /nfs/dbraw/zinc/74/47/31/563744731.db2.gz BXPPBYBYEVKPPE-DGCLKSJQSA-N 1 0 376.810 2.591 20 0 GFADRO [NH3+]Cc1cc(C(=O)N2CCC[C@@H]2C(=O)Nc2ccc(Br)cc2)co1 ZINC000364218595 563745843 /nfs/dbraw/zinc/74/58/43/563745843.db2.gz HQDLYRNBVFGCPS-OAHLLOKOSA-N 1 0 392.253 2.744 20 0 GFADRO COCCCOc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000440735206 563748698 /nfs/dbraw/zinc/74/86/98/563748698.db2.gz NJZVHGJJHBWTHS-ZIAGYGMSSA-N 1 0 390.933 2.503 20 0 GFADRO C[C@@H](NS(=O)(=O)c1cc(Cl)c(Br)cc1F)[C@@H]1CCC[NH2+]C1 ZINC000440733692 563749009 /nfs/dbraw/zinc/74/90/09/563749009.db2.gz KJCNGNLQIJXWIE-RKDXNWHRSA-N 1 0 399.713 2.908 20 0 GFADRO COCCCOc1ccc(Cl)cc1S(=O)(=O)N(C)CC[C@@H]([NH3+])C(C)C ZINC000440754948 563749533 /nfs/dbraw/zinc/74/95/33/563749533.db2.gz ORDDDNDDJDCNDB-OAHLLOKOSA-N 1 0 392.949 2.749 20 0 GFADRO Cc1cc(I)ccc1NC(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000414679153 563749986 /nfs/dbraw/zinc/74/99/86/563749986.db2.gz LFFRQXOVSLPVEM-SMDDNHRTSA-N 1 0 385.249 2.815 20 0 GFADRO C[C@@H]([NH2+]Cc1cc(C(F)(F)F)n[nH]1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000440804642 563750268 /nfs/dbraw/zinc/75/02/68/563750268.db2.gz HYGQFACCNQOCHZ-SNVBAGLBSA-N 1 0 376.404 2.530 20 0 GFADRO O=C1[C@@H]([NH2+][C@@H]2CCc3c2cccc3Br)CCN1C1CCOCC1 ZINC000364346976 563750735 /nfs/dbraw/zinc/75/07/35/563750735.db2.gz PBCRMROJXJWJNN-SJORKVTESA-N 1 0 379.298 2.806 20 0 GFADRO O=C(NCC[NH2+]Cc1cc(C(F)(F)F)n[nH]1)c1ccc(Br)cc1 ZINC000440807233 563751079 /nfs/dbraw/zinc/75/10/79/563751079.db2.gz UNWCWHJEHGLALC-UHFFFAOYSA-N 1 0 391.191 2.711 20 0 GFADRO O=C(Nc1ccc(Br)cc1Cl)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000414720610 563751075 /nfs/dbraw/zinc/75/10/75/563751075.db2.gz YZIPPHSSYUWGRU-LBPRGKRZSA-N 1 0 387.709 2.614 20 0 GFADRO CC[NH2+]Cc1cccc(NC(=O)C(=O)NCc2ccc(Br)s2)c1 ZINC000414704492 563751092 /nfs/dbraw/zinc/75/10/92/563751092.db2.gz WCKURCPHQLZDQE-UHFFFAOYSA-N 1 0 396.310 2.875 20 0 GFADRO CN(Cc1ccc(Br)s1)C(=O)C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000414720032 563751182 /nfs/dbraw/zinc/75/11/82/563751182.db2.gz XAUPBIWPIZCSAV-UHFFFAOYSA-N 1 0 394.294 2.711 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CCN(S(=O)(=O)c2ccc3cc(Br)ccc3c2)C1 ZINC000440833072 563751219 /nfs/dbraw/zinc/75/12/19/563751219.db2.gz NKFNRJAPBUAUIS-RISCZKNCSA-N 1 0 383.311 2.960 20 0 GFADRO C[C@H](CO)[N@@H+]1CCCN(C(=O)Nc2cc(F)cc(F)c2Br)CC1 ZINC000364389079 563752311 /nfs/dbraw/zinc/75/23/11/563752311.db2.gz XFDVRXDXTIOZSH-SNVBAGLBSA-N 1 0 392.244 2.648 20 0 GFADRO C[NH2+]CCC1CCN(S(=O)(=O)c2ccc(F)c(Br)c2)CC1 ZINC000440848839 563752298 /nfs/dbraw/zinc/75/22/98/563752298.db2.gz QGXUUSMBQJMCIF-UHFFFAOYSA-N 1 0 379.295 2.598 20 0 GFADRO COc1ccc([C@H]2CC[NH2+]C[C@@H]2NS(=O)(=O)c2ccc(Cl)s2)cc1 ZINC000440860979 563752569 /nfs/dbraw/zinc/75/25/69/563752569.db2.gz HBUPOIJMVYSFRY-KGLIPLIRSA-N 1 0 386.926 2.834 20 0 GFADRO C[N@@H+]1CCCC[C@@H]1CCN1CCCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000364431776 563752771 /nfs/dbraw/zinc/75/27/71/563752771.db2.gz FVGZKQQZBAAFJE-CYBMUJFWSA-N 1 0 377.480 2.943 20 0 GFADRO COC(=O)[C@@H](c1cccc(Br)c1)N(C)C(=O)CC1CC[NH+](C)CC1 ZINC000291666451 563752779 /nfs/dbraw/zinc/75/27/79/563752779.db2.gz LJCBGHKKWZFWAZ-QGZVFWFLSA-N 1 0 397.313 2.854 20 0 GFADRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)c2nc(C3CC3)ncc2Br)C1 ZINC000291674343 563752951 /nfs/dbraw/zinc/75/29/51/563752951.db2.gz CWCIMGXVZCDORE-GFCCVEGCSA-N 1 0 381.318 2.824 20 0 GFADRO O=S(=O)(NCC1([NH+]2CCCC2)CCOCC1)c1ccc(C(F)(F)F)s1 ZINC000291663930 563753166 /nfs/dbraw/zinc/75/31/66/563753166.db2.gz JQMQXZYSRJNGSM-UHFFFAOYSA-N 1 0 398.472 2.690 20 0 GFADRO O=C(CC[N@@H+]1CCC(F)(F)[C@@H](CO)C1)Nc1ccc(Br)cc1 ZINC000291678303 563753443 /nfs/dbraw/zinc/75/34/43/563753443.db2.gz GSXKPKRCWRGAAR-LLVKDONJSA-N 1 0 377.229 2.727 20 0 GFADRO CS(=O)(=O)NCC[NH2+]C1(Cc2ccc(Br)cc2)CCCCC1 ZINC000440922044 563753681 /nfs/dbraw/zinc/75/36/81/563753681.db2.gz XLLPYLZVPNAJSY-UHFFFAOYSA-N 1 0 389.359 2.833 20 0 GFADRO CCOC(=O)COc1c(Br)cc(C)cc1CNC[C@H]1CCC[NH2+]C1 ZINC000414828256 563753642 /nfs/dbraw/zinc/75/36/42/563753642.db2.gz LYSIOLZUWGHXGJ-AWEZNQCLSA-N 1 0 399.329 2.789 20 0 GFADRO CC[C@H]([NH2+][C@H]1CCN(CCN2CCOCC2)C1)c1ccc(Br)cc1 ZINC000364459092 563753694 /nfs/dbraw/zinc/75/36/94/563753694.db2.gz QSUQOLNIVBRPTR-OALUTQOASA-N 1 0 396.373 2.896 20 0 GFADRO Cc1ccc(Br)cc1CNC(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000440993265 563753822 /nfs/dbraw/zinc/75/38/22/563753822.db2.gz QJNKHMWYEJPQJC-UHFFFAOYSA-N 1 0 397.361 2.583 20 0 GFADRO CC[N@H+](CCCC(=O)Nc1c(C)cc(Br)cc1C)[C@@H]1CCNC1=O ZINC000440953838 563754183 /nfs/dbraw/zinc/75/41/83/563754183.db2.gz HTYGRTWBORXEMQ-OAHLLOKOSA-N 1 0 396.329 2.995 20 0 GFADRO OC[C@@H](C[NH2+]Cc1c[nH]c2nccnc12)Cc1ccccc1Br ZINC000291692000 563754220 /nfs/dbraw/zinc/75/42/20/563754220.db2.gz YFEIWWNRDUPVEN-GFCCVEGCSA-N 1 0 375.270 2.661 20 0 GFADRO CCC([NH3+])(CC)CNC(=O)Nc1cc(Br)ccc1N1CCOCC1 ZINC000414928873 563754464 /nfs/dbraw/zinc/75/44/64/563754464.db2.gz NQDOKASILPBBPP-UHFFFAOYSA-N 1 0 399.333 2.925 20 0 GFADRO CCN(CCC[NH+](CC)CC)C(=O)C(=O)Nc1cc(C)cnc1Br ZINC000291732448 563756499 /nfs/dbraw/zinc/75/64/99/563756499.db2.gz LEBFQVLCJQAUEK-UHFFFAOYSA-N 1 0 399.333 2.671 20 0 GFADRO COc1cc(Br)c(NC(=O)N[C@@H]2C[NH2+]CCC2(F)F)cc1OC ZINC000415003120 563756755 /nfs/dbraw/zinc/75/67/55/563756755.db2.gz WQISJRHHQQITGV-GFCCVEGCSA-N 1 0 394.216 2.585 20 0 GFADRO [NH3+]Cc1cc(NC(=O)C(=O)NC[C@H]2CCCCS2)cc(C(F)(F)F)c1 ZINC000415046709 563756898 /nfs/dbraw/zinc/75/68/98/563756898.db2.gz VCPLGFFNSLQEGC-CYBMUJFWSA-N 1 0 375.416 2.505 20 0 GFADRO CN(Cc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1)C[C@@H](O)C[NH3+] ZINC000415068638 563757659 /nfs/dbraw/zinc/75/76/59/563757659.db2.gz NHMFNABAOJAURR-HNNXBMFYSA-N 1 0 382.291 2.997 20 0 GFADRO COc1ccc(Br)c(NC(=O)N2C[C@H](C[NH3+])C3(C2)CCOCC3)c1 ZINC000415080181 563758677 /nfs/dbraw/zinc/75/86/77/563758677.db2.gz LFSXOWLVMRNJDQ-LBPRGKRZSA-N 1 0 398.301 2.677 20 0 GFADRO CCOc1cc(C[NH2+]C[C@@H]2CNCCO2)cc(Br)c1OC(F)F ZINC000415097946 563758784 /nfs/dbraw/zinc/75/87/84/563758784.db2.gz UNZGEKHBTOITAR-NSHDSACASA-N 1 0 395.244 2.527 20 0 GFADRO CC1(C)[NH2+]CC[C@H]1NC(=O)Nc1cc(F)c(I)c(F)c1 ZINC000415115288 563759585 /nfs/dbraw/zinc/75/95/85/563759585.db2.gz GWVFNJBKCBRHAV-SNVBAGLBSA-N 1 0 395.191 2.831 20 0 GFADRO COCC1(CNC(=O)Nc2ccc(OC)cc2Br)CC[NH2+]CC1 ZINC000415115219 563759751 /nfs/dbraw/zinc/75/97/51/563759751.db2.gz WUZZVGAZEXINNN-UHFFFAOYSA-N 1 0 386.290 2.595 20 0 GFADRO [NH3+]CC1(O)CCN(Cc2csc(-c3cccc(Br)c3)n2)CC1 ZINC000415146389 563761082 /nfs/dbraw/zinc/76/10/82/563761082.db2.gz YOVYWOSYAZCIFU-UHFFFAOYSA-N 1 0 382.327 2.858 20 0 GFADRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)Nc1cc(Br)ccc1-n1cccn1 ZINC000415159337 563761186 /nfs/dbraw/zinc/76/11/86/563761186.db2.gz JPVGUVMHEITHKF-WCQYABFASA-N 1 0 378.274 2.754 20 0 GFADRO [NH3+]CC1CCN(C(=O)Nc2cc(F)c(F)cc2I)CC1 ZINC000415239454 563762841 /nfs/dbraw/zinc/76/28/41/563762841.db2.gz OLUQUXMXTRBHCM-UHFFFAOYSA-N 1 0 395.191 2.772 20 0 GFADRO O=C(Nc1ccc(F)cc1I)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000415255709 563764079 /nfs/dbraw/zinc/76/40/79/563764079.db2.gz VSPSNYNHVSZJDS-VHSXEESVSA-N 1 0 389.212 2.504 20 0 GFADRO C[C@@H]1CN(C(=O)Nc2ccc(F)cc2I)CC[C@@H]1[NH3+] ZINC000415252756 563764228 /nfs/dbraw/zinc/76/42/28/563764228.db2.gz OWSFMVMYAWPPOE-KCJUWKMLSA-N 1 0 377.201 2.631 20 0 GFADRO O=C(Nc1ccc(F)cc1I)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000415252057 563764385 /nfs/dbraw/zinc/76/43/85/563764385.db2.gz NVKSQHIJNNNZCZ-VHSXEESVSA-N 1 0 389.212 2.504 20 0 GFADRO O=C(Nc1ccc(Br)c(Cl)c1Cl)C(=O)NC1CC[NH2+]CC1 ZINC000415271766 563764954 /nfs/dbraw/zinc/76/49/54/563764954.db2.gz RFMHSMBBUMYEFM-UHFFFAOYSA-N 1 0 395.084 2.563 20 0 GFADRO [NH3+]C1(CNC(=O)C(=O)Nc2cccc(Cl)c2Br)CCCCC1 ZINC000415290426 563765597 /nfs/dbraw/zinc/76/55/97/563765597.db2.gz GWJMPEINNFHVDY-UHFFFAOYSA-N 1 0 388.693 2.819 20 0 GFADRO C[NH2+][C@H]1CCN(C(=O)C(=O)Nc2ccc(Br)c(Cl)c2Cl)C1 ZINC000415292786 563765876 /nfs/dbraw/zinc/76/58/76/563765876.db2.gz CDISIJQHLYUBHN-ZETCQYMHSA-N 1 0 395.084 2.515 20 0 GFADRO C[C@@H](C[NH3+])N(C)C(=O)Nc1cccc(Oc2ncc(Br)cn2)c1 ZINC000415304629 563766142 /nfs/dbraw/zinc/76/61/42/563766142.db2.gz QIUAQSMDUMUDFH-JTQLQIEISA-N 1 0 380.246 2.842 20 0 GFADRO COC(=O)c1cc(Br)ccc1NC(=O)NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000415323421 563766884 /nfs/dbraw/zinc/76/68/84/563766884.db2.gz CNNYNJCSEMGPMO-PWSUYJOCSA-N 1 0 384.274 2.875 20 0 GFADRO COC(=O)c1cc(Br)ccc1NC(=O)N1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000415325027 563767377 /nfs/dbraw/zinc/76/73/77/563767377.db2.gz FMDIUDQDCGRSAA-YGRLFVJLSA-N 1 0 384.274 2.969 20 0 GFADRO COC(=O)c1cc(Br)ccc1NC(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000415327306 563767469 /nfs/dbraw/zinc/76/74/69/563767469.db2.gz IFBJFEOYXURIOU-BPNCWPANSA-N 1 0 396.285 2.827 20 0 GFADRO O=C(NC[C@H]1CCC[NH2+]C1)C(=O)Nc1cccc(Cl)c1SCC(F)F ZINC000415332726 563767484 /nfs/dbraw/zinc/76/74/84/563767484.db2.gz NXPAEIYVEZLIBY-JTQLQIEISA-N 1 0 391.871 2.752 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N[C@H](C)[C@H]2CCC[NH2+]C2)c(Br)c1 ZINC000415346037 563768828 /nfs/dbraw/zinc/76/88/28/563768828.db2.gz BFGGAYBVOYOLFI-OLZOCXBDSA-N 1 0 382.302 2.509 20 0 GFADRO CN(C(=O)Nc1cnn(-c2ccccc2Br)c1)[C@@H](C[NH3+])C1CC1 ZINC000415348554 563768970 /nfs/dbraw/zinc/76/89/70/563768970.db2.gz BHRPMUJKFFXEKN-HNNXBMFYSA-N 1 0 378.274 2.836 20 0 GFADRO C[C@H](CO)[N@@H+]1CCCN(C(=O)CCSc2nc3ccccc3s2)CC1 ZINC000364934064 563769289 /nfs/dbraw/zinc/76/92/89/563769289.db2.gz JFVOTWTYNVUWIY-CQSZACIVSA-N 1 0 379.551 2.694 20 0 GFADRO C[C@@H](NC(=O)CN1CCC[N@@H+]([C@@H](C)CO)CC1)c1ccc(Cl)cc1Cl ZINC000364954741 563769736 /nfs/dbraw/zinc/76/97/36/563769736.db2.gz LWKOGHPNWHHGJR-UONOGXRCSA-N 1 0 388.339 2.559 20 0 GFADRO C[C@@H]1CN(C(=O)Nc2cnn(-c3ccccc3Br)c2)CC[C@H]1[NH3+] ZINC000415354644 563770071 /nfs/dbraw/zinc/77/00/71/563770071.db2.gz NTMWSGGIKGGWOF-BXUZGUMPSA-N 1 0 378.274 2.836 20 0 GFADRO CC1(CNC(=O)Nc2cccc(F)c2I)CC[NH2+]CC1 ZINC000415354732 563770124 /nfs/dbraw/zinc/77/01/24/563770124.db2.gz FFMZSADVGUBDPK-UHFFFAOYSA-N 1 0 391.228 2.942 20 0 GFADRO CCOC(=O)c1cc(Br)ccc1NC(=O)N1CC[C@H]([C@H](C)[NH3+])C1 ZINC000415357621 563770227 /nfs/dbraw/zinc/77/02/27/563770227.db2.gz WOHOQBXRWCPZSB-QWRGUYRKSA-N 1 0 384.274 2.827 20 0 GFADRO [NH3+]C[C@@H]1CC[C@H](NC(=O)Nc2cnn(-c3ccccc3Br)c2)C1 ZINC000415357892 563770239 /nfs/dbraw/zinc/77/02/39/563770239.db2.gz SLSSFDSDKBZWCW-NEPJUHHUSA-N 1 0 378.274 2.884 20 0 GFADRO C[NH2+][C@H]1CCCN(C(=O)C(=O)Nc2cc(Cl)cc(C)c2Br)C1 ZINC000415363075 563770708 /nfs/dbraw/zinc/77/07/08/563770708.db2.gz PYROIDALHGXHMU-NSHDSACASA-N 1 0 388.693 2.560 20 0 GFADRO CC1(C)C[NH2+]CC[C@H]1NC(=O)Nc1cccc(F)c1I ZINC000415368143 563771247 /nfs/dbraw/zinc/77/12/47/563771247.db2.gz ZMSUEBPASVGULJ-LLVKDONJSA-N 1 0 391.228 2.940 20 0 GFADRO C[C@H]([NH3+])C1CCN(C(=O)C(=O)Nc2ccc(Cl)c(Br)c2)CC1 ZINC000415373168 563771340 /nfs/dbraw/zinc/77/13/40/563771340.db2.gz BZEQKGYQFMDVIY-VIFPVBQESA-N 1 0 388.693 2.627 20 0 GFADRO C[NH2+][C@@H]1CCCN(C(=O)C(=O)Nc2ccc(-c3ccc(Cl)s3)nc2)C1 ZINC000415382770 563771944 /nfs/dbraw/zinc/77/19/44/563771944.db2.gz WRICZGUWHJFXFI-GFCCVEGCSA-N 1 0 378.885 2.612 20 0 GFADRO COC(=O)c1cc(NC(=O)N2CCC[C@H](CC[NH3+])C2)ccc1Br ZINC000415398142 563772326 /nfs/dbraw/zinc/77/23/26/563772326.db2.gz BNVLFWCNNKYNPN-LLVKDONJSA-N 1 0 384.274 2.828 20 0 GFADRO C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N1CC[C@]2(CCC[C@H]2[NH3+])C1 ZINC000365086853 563773085 /nfs/dbraw/zinc/77/30/85/563773085.db2.gz BBJOLVFJVUMPPC-UCMVZMLTSA-N 1 0 384.307 2.842 20 0 GFADRO COC(=O)c1cc(NC(=O)N[C@@H](C[NH3+])C2CCCC2)ccc1Br ZINC000415403699 563773194 /nfs/dbraw/zinc/77/31/94/563773194.db2.gz KSILNNATDZAVAK-AWEZNQCLSA-N 1 0 384.274 2.875 20 0 GFADRO C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N1CC[C@@]2(CCC[C@@H]2[NH3+])C1 ZINC000365086852 563773486 /nfs/dbraw/zinc/77/34/86/563773486.db2.gz BBJOLVFJVUMPPC-MIUNTBIASA-N 1 0 384.307 2.842 20 0 GFADRO COC(=O)c1cc(NC(=O)N2CCCC[C@H]2[C@H](C)[NH3+])ccc1Br ZINC000415409410 563773637 /nfs/dbraw/zinc/77/36/37/563773637.db2.gz STLIYBBBPVFVSD-HZMBPMFUSA-N 1 0 384.274 2.969 20 0 GFADRO O=C(NCC[C@H]1CCC[NH2+]C1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000415418613 563774216 /nfs/dbraw/zinc/77/42/16/563774216.db2.gz YHYPCGMZQVQGCW-SNVBAGLBSA-N 1 0 377.794 2.803 20 0 GFADRO COCCOc1ccc(Br)cc1NC(=O)N[C@](C)(C[NH3+])C1CC1 ZINC000415425934 563774810 /nfs/dbraw/zinc/77/48/10/563774810.db2.gz MDAABLMBIZNNIG-MRXNPFEDSA-N 1 0 386.290 2.723 20 0 GFADRO Cc1nc2cc(Cl)c(NC(=O)C(=O)N3CCC[C@H]([C@@H](C)[NH3+])C3)cc2s1 ZINC000415429811 563774891 /nfs/dbraw/zinc/77/48/91/563774891.db2.gz DXJADDDXPWTXIX-KOLCDFICSA-N 1 0 380.901 2.782 20 0 GFADRO C[NH2+]C[C@@H]1CCN(C(=O)Nc2cc(C)n(-c3ccc(Cl)cc3Cl)n2)C1 ZINC000415430900 563775511 /nfs/dbraw/zinc/77/55/11/563775511.db2.gz RQZZVSRGMYJQSH-LBPRGKRZSA-N 1 0 382.295 3.561 20 0 GFADRO COCCOc1ccc(Br)cc1NC(=O)N[C@H](C[NH3+])C(C)(C)C ZINC000415435214 563775592 /nfs/dbraw/zinc/77/55/92/563775592.db2.gz YXSSUFQQYXGCCU-CQSZACIVSA-N 1 0 388.306 2.969 20 0 GFADRO [NH3+]CC[C@@H]1CCCN(C(=O)[C@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)C1 ZINC000442620611 563776098 /nfs/dbraw/zinc/77/60/98/563776098.db2.gz SVHCHAVKJSBRHB-GXTWGEPZSA-N 1 0 384.307 2.934 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)C1 ZINC000415440310 563776380 /nfs/dbraw/zinc/77/63/80/563776380.db2.gz MHQJYJHSNDYZDN-ZJUUUORDSA-N 1 0 377.794 2.883 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)C1 ZINC000415440307 563776436 /nfs/dbraw/zinc/77/64/36/563776436.db2.gz MHQJYJHSNDYZDN-UWVGGRQHSA-N 1 0 377.794 2.883 20 0 GFADRO C[NH2+]C[C@@H]1CCCN1C(=O)Nc1cc(F)c(Br)cc1C(=O)OC ZINC000415462775 563777080 /nfs/dbraw/zinc/77/70/80/563777080.db2.gz AQKAITGQBVKPBA-VIFPVBQESA-N 1 0 388.237 2.591 20 0 GFADRO CC(C)([NH3+])CNC(=O)C(=O)Nc1cc(Cl)ccc1SCC(F)(F)F ZINC000415468158 563777637 /nfs/dbraw/zinc/77/76/37/563777637.db2.gz WSSREZOBPHODTM-UHFFFAOYSA-N 1 0 383.823 2.786 20 0 GFADRO O=C(Cc1ccc(I)cc1)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000365210543 563777720 /nfs/dbraw/zinc/77/77/20/563777720.db2.gz NLYYJMABCUUGRI-CABCVRRESA-N 1 0 384.261 2.577 20 0 GFADRO C[N@@H+]1CC[C@]2(CCN(C(=O)c3cnn(-c4ccc(Br)cc4)c3)C2)C1 ZINC000292197413 563777783 /nfs/dbraw/zinc/77/77/83/563777783.db2.gz LODQBVPNGATHPK-SFHVURJKSA-N 1 0 389.297 2.803 20 0 GFADRO CC[NH2+]CC1CCN(C(=O)C(=O)Nc2cc(C)cc(Br)c2)CC1 ZINC000415480320 563778309 /nfs/dbraw/zinc/77/83/09/563778309.db2.gz SXDZYSIYQPENHH-UHFFFAOYSA-N 1 0 382.302 2.544 20 0 GFADRO [NH3+]C[C@@H](NC(=O)Nc1cc(Br)cnc1-n1cccn1)C1CCCC1 ZINC000415493587 563779052 /nfs/dbraw/zinc/77/90/52/563779052.db2.gz YLWMDMKXQGXNDC-CQSZACIVSA-N 1 0 393.289 2.669 20 0 GFADRO CCCC[C@H](C[NH3+])NC(=O)C(=O)Nc1cccc2c(Br)ccnc12 ZINC000415490283 563779071 /nfs/dbraw/zinc/77/90/71/563779071.db2.gz BXIAFUWVJBTGGE-LLVKDONJSA-N 1 0 393.285 2.570 20 0 GFADRO CSc1cccc(C)c1NC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000415498564 563779412 /nfs/dbraw/zinc/77/94/12/563779412.db2.gz JVDKSBVRLBWSOX-ZDUSSCGKSA-N 1 0 376.448 2.675 20 0 GFADRO Cc1cccc(NC(=O)N2C[C@@H](C[NH3+])C3(C2)CCOCC3)c1Br ZINC000415496843 563779582 /nfs/dbraw/zinc/77/95/82/563779582.db2.gz KYDXQXCAIJXPRB-CYBMUJFWSA-N 1 0 382.302 2.977 20 0 GFADRO Cc1c(Br)ccc(NC(=O)C(=O)N(C)CC[C@@H]([NH3+])C(C)C)c1F ZINC000415507815 563780342 /nfs/dbraw/zinc/78/03/42/563780342.db2.gz UGAGUJPLMOVQBC-GFCCVEGCSA-N 1 0 388.281 2.667 20 0 GFADRO [NH3+]C[C@H]1CC[C@H](NC(=O)Nc2nnc(-c3cccc(Br)c3)s2)C1 ZINC000415508389 563780400 /nfs/dbraw/zinc/78/04/00/563780400.db2.gz XVOQQZRHVMYZTH-CABZTGNLSA-N 1 0 396.314 3.217 20 0 GFADRO CCC[NH2+]CCNC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1Br ZINC000415515875 563780752 /nfs/dbraw/zinc/78/07/52/563780752.db2.gz DPGZWVBFGRYKBI-UHFFFAOYSA-N 1 0 396.207 2.522 20 0 GFADRO Cc1ccc(-c2csc(NC(=O)C(=O)N(C)CC[C@@H]([NH3+])C(C)C)n2)s1 ZINC000415509044 563780834 /nfs/dbraw/zinc/78/08/34/563780834.db2.gz VTPMZNASWLLCQN-GFCCVEGCSA-N 1 0 380.539 2.950 20 0 GFADRO CC(C)[C@H]([NH3+])CNC(=O)Nc1ccnn1Cc1ccc(Br)cc1 ZINC000415522407 563781223 /nfs/dbraw/zinc/78/12/23/563781223.db2.gz DLCCNDOODXJOPK-CQSZACIVSA-N 1 0 380.290 2.799 20 0 GFADRO O=C(NCCC[NH2+]C1CC1)Nc1ccnn1Cc1ccccc1Br ZINC000415521725 563781259 /nfs/dbraw/zinc/78/12/59/563781259.db2.gz LKLSPFKNESLLOZ-UHFFFAOYSA-N 1 0 392.301 2.958 20 0 GFADRO CSc1ccc(NC(=O)C(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)cc1Cl ZINC000415519785 563781316 /nfs/dbraw/zinc/78/13/16/563781316.db2.gz ODFYPMYVIDCFGF-OAHLLOKOSA-N 1 0 381.929 2.991 20 0 GFADRO COCC[NH2+]CCNC(=O)Nc1ccnn1Cc1c(Cl)cccc1Cl ZINC000415522832 563781323 /nfs/dbraw/zinc/78/13/23/563781323.db2.gz OAVVZVLEFZGUGF-UHFFFAOYSA-N 1 0 386.283 2.596 20 0 GFADRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)Nc1ccnn1Cc1ccc(Br)cc1 ZINC000415520757 563781414 /nfs/dbraw/zinc/78/14/14/563781414.db2.gz BHBBWWJDSXKDAK-IUODEOHRSA-N 1 0 392.301 2.813 20 0 GFADRO COc1cc(OC)c(NC(=O)N2CC[C@]3(CC[NH2+]C3)C2)cc1Br ZINC000415524554 563781910 /nfs/dbraw/zinc/78/19/10/563781910.db2.gz BCFAZLSOGOWCEW-INIZCTEOSA-N 1 0 384.274 2.684 20 0 GFADRO [NH3+][C@@H](CNC(=O)Nc1ccnn1Cc1ccccc1Br)C1CC1 ZINC000415524633 563781987 /nfs/dbraw/zinc/78/19/87/563781987.db2.gz UNGKOHVEYSLDON-AWEZNQCLSA-N 1 0 378.274 2.553 20 0 GFADRO O=S(=O)(NCC[NH2+][C@H]1Cc2ccc(Cl)cc2C1)c1ccc(F)cc1F ZINC000442862511 563782016 /nfs/dbraw/zinc/78/20/16/563782016.db2.gz OMZSUHBPZUEHBW-HNNXBMFYSA-N 1 0 386.851 2.654 20 0 GFADRO O=S(=O)(NCC[NH2+][C@@H]1Cc2ccc(Cl)cc2C1)c1ccc(F)cc1F ZINC000442862515 563782172 /nfs/dbraw/zinc/78/21/72/563782172.db2.gz OMZSUHBPZUEHBW-OAHLLOKOSA-N 1 0 386.851 2.654 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCN(C(=O)Nc2ccnn2Cc2cccc(Br)c2)C1 ZINC000415526721 563782523 /nfs/dbraw/zinc/78/25/23/563782523.db2.gz KGXCCWBPDFZMOD-JSGCOSHPSA-N 1 0 392.301 2.895 20 0 GFADRO CCc1cc2oc(=O)cc(CN3CC[C@H](CS(C)(=O)=O)C3)c2cc1Cl ZINC000292340979 563782827 /nfs/dbraw/zinc/78/28/27/563782827.db2.gz UXQLGKIJVKFFDW-LBPRGKRZSA-N 1 0 383.897 2.875 20 0 GFADRO Cc1c(Br)ccc(NC(=O)C(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1F ZINC000415534506 563783262 /nfs/dbraw/zinc/78/32/62/563783262.db2.gz CKHNENJHLNTVOB-FOSCPWQOSA-N 1 0 398.276 2.577 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)NC[C@H](C)C[NH+](C)C ZINC000292349477 563783392 /nfs/dbraw/zinc/78/33/92/563783392.db2.gz KWWSNSYONCBRGK-GJZGRUSLSA-N 1 0 386.583 2.665 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000415545316 563783935 /nfs/dbraw/zinc/78/39/35/563783935.db2.gz WEJWKLDQPMOJKY-YIONKMFJSA-N 1 0 394.313 2.746 20 0 GFADRO C[NH2+]CCC1CCN(C(=O)C(=O)Nc2cc(Cl)c(OC)c(Cl)c2)CC1 ZINC000415547591 563784037 /nfs/dbraw/zinc/78/40/37/563784037.db2.gz GNZBRLPYGURWGP-UHFFFAOYSA-N 1 0 388.295 2.789 20 0 GFADRO CCOc1c(Cl)cc(NC(=O)C(=O)NC[C@]2(C)CCC[NH2+]C2)cc1Cl ZINC000415566446 563784304 /nfs/dbraw/zinc/78/43/04/563784304.db2.gz FTPDFVZNJUPIJM-QGZVFWFLSA-N 1 0 388.295 2.837 20 0 GFADRO O=S1(=O)CCCN1[C@H]1CCCN(Cc2cnc(-c3cccs3)s2)C1 ZINC000365530974 563785891 /nfs/dbraw/zinc/78/58/91/563785891.db2.gz XQXAZGNKYVJJQF-ZDUSSCGKSA-N 1 0 383.564 2.872 20 0 GFADRO Cn1ccnc1[C@@H]1CCCN(S(=O)(=O)c2c(Cl)ccnc2Cl)C1 ZINC000365531691 563786210 /nfs/dbraw/zinc/78/62/10/563786210.db2.gz GIABXTCFCFJYEI-SNVBAGLBSA-N 1 0 375.281 2.690 20 0 GFADRO O=C(Nc1cc(C(F)(F)F)ccc1Cl)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000415594327 563786484 /nfs/dbraw/zinc/78/64/84/563786484.db2.gz KIACUBOKIGVNIK-HNNXBMFYSA-N 1 0 375.778 2.509 20 0 GFADRO Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)NC(=O)[C@@H]([NH3+])CCC(N)=O ZINC000365544963 563786722 /nfs/dbraw/zinc/78/67/22/563786722.db2.gz ACMNWYAQSSXTBI-ZANVPECISA-N 1 0 380.901 2.542 20 0 GFADRO COc1ccc(NC(=O)N[C@@H](C)CCCC[NH3+])c(I)c1 ZINC000415598999 563786871 /nfs/dbraw/zinc/78/68/71/563786871.db2.gz QGXQRNDPHLLEAH-JTQLQIEISA-N 1 0 391.253 2.939 20 0 GFADRO COC(=O)c1c(C)c(NC(=O)N2CC[C@@H]([NH3+])[C@H](C)C2)ccc1Br ZINC000415604873 563787456 /nfs/dbraw/zinc/78/74/56/563787456.db2.gz WQNIJBXYUIUJTM-BXKDBHETSA-N 1 0 384.274 2.745 20 0 GFADRO COC(=O)c1cccc(NC(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c1Br ZINC000415604456 563787485 /nfs/dbraw/zinc/78/74/85/563787485.db2.gz FTOQASFXYVGACM-UHTWSYAYSA-N 1 0 396.285 2.827 20 0 GFADRO COC(=O)c1cccc(NC(=O)N2CCC[C@@H]([C@H](C)[NH3+])C2)c1Br ZINC000415607994 563787490 /nfs/dbraw/zinc/78/74/90/563787490.db2.gz LCWWRMURCIIGLH-WDEREUQCSA-N 1 0 384.274 2.827 20 0 GFADRO COC(=O)c1c(C)c(NC(=O)N2CC[C@@H](C)[C@H](C[NH3+])C2)ccc1Br ZINC000415607140 563787597 /nfs/dbraw/zinc/78/75/97/563787597.db2.gz ZWNJPMIEADXWAS-ZYHUDNBSSA-N 1 0 398.301 2.993 20 0 GFADRO CO[C@@H]1CCN(C(=O)Nc2cc(F)cc(Br)c2F)[C@H](C[NH3+])C1 ZINC000415613807 563788117 /nfs/dbraw/zinc/78/81/17/563788117.db2.gz AGFGSKWHHLRTHA-VHSXEESVSA-N 1 0 378.217 2.697 20 0 GFADRO [NH3+][C@H]1CCCN(C(=O)Nc2cc(Br)cc(C(=O)N3CCCC3)c2)C1 ZINC000415630137 563788861 /nfs/dbraw/zinc/78/88/61/563788861.db2.gz CHFRYZNJDUCYPT-AWEZNQCLSA-N 1 0 395.301 2.640 20 0 GFADRO COC(=O)c1cc(F)c(Br)cc1NC(=O)N(C)[C@H](C[NH3+])C1CC1 ZINC000415633068 563789335 /nfs/dbraw/zinc/78/93/35/563789335.db2.gz ZGTRTQMGMICYIV-CYBMUJFWSA-N 1 0 388.237 2.576 20 0 GFADRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)Nc1ccc(-c2ccc(Cl)s2)nc1 ZINC000415632484 563789345 /nfs/dbraw/zinc/78/93/45/563789345.db2.gz XYFQWYKCJBCZBN-MFKMUULPSA-N 1 0 378.885 2.516 20 0 GFADRO C[C@@H]([NH3+])[C@H](C)NC(=O)Nc1cc(Br)cc(C(=O)N2CCCC2)c1 ZINC000415632820 563789353 /nfs/dbraw/zinc/78/93/53/563789353.db2.gz GVSJSQYKUITIIO-MNOVXSKESA-N 1 0 383.290 2.542 20 0 GFADRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)Nc1ccc(-c2ccc(Cl)s2)nc1 ZINC000415632482 563789405 /nfs/dbraw/zinc/78/94/05/563789405.db2.gz XYFQWYKCJBCZBN-GWCFXTLKSA-N 1 0 378.885 2.516 20 0 GFADRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)Nc1cccc(Cl)c1SCC(F)F ZINC000415657008 563790597 /nfs/dbraw/zinc/79/05/97/563790597.db2.gz PTJIZPTUOXFHDP-GXSJLCMTSA-N 1 0 391.871 2.750 20 0 GFADRO Cc1ccc(NC(=O)C(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)cc1Br ZINC000415729735 563793231 /nfs/dbraw/zinc/79/32/31/563793231.db2.gz URUZVMUQTCKWKI-JOCQHMNTSA-N 1 0 382.302 2.577 20 0 GFADRO C[C@H]1CCN(C(=O)Nc2ccn(-c3ccc(Br)cc3)n2)C[C@H]1C[NH3+] ZINC000415751984 563794735 /nfs/dbraw/zinc/79/47/35/563794735.db2.gz CLEWHZKPDVRWGH-QWHCGFSZSA-N 1 0 392.301 3.083 20 0 GFADRO C[C@H](CCC[NH3+])NC(=O)C(=O)Nc1ccc(Br)c(Cl)c1Cl ZINC000415770236 563795709 /nfs/dbraw/zinc/79/57/09/563795709.db2.gz BBPQXGZALLNZOA-SSDOTTSWSA-N 1 0 397.100 2.938 20 0 GFADRO Cc1cc(S(=O)(=O)N2CCN(C3CCOCC3)C[C@@H]2C)c(Cl)cc1F ZINC000365946267 563795962 /nfs/dbraw/zinc/79/59/62/563795962.db2.gz OSAJLRXBBPHWIP-ZDUSSCGKSA-N 1 0 390.908 2.661 20 0 GFADRO Cc1csc(Sc2ccc(NC(=O)C(=O)N[C@@H](C)[C@@H](C)[NH3+])c(C)c2)n1 ZINC000415787527 563796301 /nfs/dbraw/zinc/79/63/01/563796301.db2.gz PHESFSOLUNRKHE-NEPJUHHUSA-N 1 0 378.523 2.702 20 0 GFADRO Cc1cc(Cl)c(NC(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)cc1C ZINC000415805087 563797104 /nfs/dbraw/zinc/79/71/04/563797104.db2.gz KAICFFKUMQMICV-AWEZNQCLSA-N 1 0 378.826 2.914 20 0 GFADRO O=C(NCCC[C@H]1CCC[NH2+]1)C(=O)Nc1cc(Cl)ccc1Br ZINC000415808117 563797676 /nfs/dbraw/zinc/79/76/76/563797676.db2.gz SAMFJYUDDRJYNF-LLVKDONJSA-N 1 0 388.693 2.689 20 0 GFADRO Cc1ccc(-c2csc(NC(=O)C(=O)NC[C@H]3CCC[C@@H]([NH3+])C3)n2)s1 ZINC000415814137 563797701 /nfs/dbraw/zinc/79/77/01/563797701.db2.gz QXUAWJGDFDTYIE-NWDGAFQWSA-N 1 0 378.523 2.752 20 0 GFADRO CN(C(=O)c1cccnc1Br)C1CC[NH+](C2CCOCC2)CC1 ZINC000366067891 563798560 /nfs/dbraw/zinc/79/85/60/563798560.db2.gz MWXFNTDWJOTHEN-UHFFFAOYSA-N 1 0 382.302 2.560 20 0 GFADRO [NH3+]C[C@@H]1CC[C@H](NC(=O)C(=O)Nc2cccnc2-c2ccc(Cl)s2)C1 ZINC000415828413 563799082 /nfs/dbraw/zinc/79/90/82/563799082.db2.gz FQMSRFREOWXKKS-MNOVXSKESA-N 1 0 378.885 2.646 20 0 GFADRO O=C(Nc1ccc(-c2ccc(Cl)s2)nc1)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000415874253 563800361 /nfs/dbraw/zinc/80/03/61/563800361.db2.gz WLADOCBGFUVVHY-NSHDSACASA-N 1 0 378.885 2.660 20 0 GFADRO [NH3+]Cc1cc(NC(=O)N(CCO)[C@H]2CCCSC2)cc(C(F)(F)F)c1 ZINC000415975300 563800830 /nfs/dbraw/zinc/80/08/30/563800830.db2.gz SQAOXNPJNKWIEK-AWEZNQCLSA-N 1 0 377.432 2.886 20 0 GFADRO COc1ccc(Br)cc1CNC(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000415994595 563802090 /nfs/dbraw/zinc/80/20/90/563802090.db2.gz LQDVJLWVSYNJGN-LLVKDONJSA-N 1 0 384.196 2.537 20 0 GFADRO CN(C(=O)c1ccncc1Br)C1CC[NH+](C2CCOCC2)CC1 ZINC000366233661 563802863 /nfs/dbraw/zinc/80/28/63/563802863.db2.gz BRUVPXKXAKWOOK-UHFFFAOYSA-N 1 0 382.302 2.560 20 0 GFADRO [NH3+]CC[C@H](NC(=O)N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1)C(F)(F)F ZINC000416036365 563803051 /nfs/dbraw/zinc/80/30/51/563803051.db2.gz YEYCIRFRPQMHCY-ZANVPECISA-N 1 0 382.789 2.637 20 0 GFADRO CN1CC[C@H](NC(=O)N[C@H](CC[NH3+])C(F)(F)F)[C@@H]1c1ccc(Cl)cc1 ZINC000416028500 563803125 /nfs/dbraw/zinc/80/31/25/563803125.db2.gz JZPGPOOADFFOAB-MJBXVCDLSA-N 1 0 378.826 2.664 20 0 GFADRO Cc1nc(NC(=O)C[C@@H](c2ccccc2)[NH+](C)C)sc1SCC(N)=O ZINC000416135884 563806573 /nfs/dbraw/zinc/80/65/73/563806573.db2.gz KZFHMNSBHTXKNF-ZDUSSCGKSA-N 1 0 378.523 2.660 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)[C@H]2CCN(c3cc(Cl)cc(Cl)c3)C2=O)C1 ZINC000366416860 563807632 /nfs/dbraw/zinc/80/76/32/563807632.db2.gz ZVYSIWQUWOODCD-MQIPJXDCSA-N 1 0 384.307 2.932 20 0 GFADRO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)Nc1cc(Br)c(=O)n(C)c1 ZINC000443605032 563808836 /nfs/dbraw/zinc/80/88/36/563808836.db2.gz UJXQNRLXOHGWFJ-CQSZACIVSA-N 1 0 399.333 2.780 20 0 GFADRO C[C@@H](O)C[N@@H+]1CCN(C(=O)N[C@H](C)c2ccc(Br)s2)C[C@@H]1C ZINC000443741055 563811156 /nfs/dbraw/zinc/81/11/56/563811156.db2.gz AWFMQJVESSVCFR-QJPTWQEYSA-N 1 0 390.347 2.668 20 0 GFADRO Cc1cc(C(=O)NCC2([NH+](C)C)CC2)nn1-c1ccc(Br)cc1 ZINC000416302338 563814124 /nfs/dbraw/zinc/81/41/24/563814124.db2.gz OKQSYKMRGMALFZ-UHFFFAOYSA-N 1 0 377.286 2.767 20 0 GFADRO O=C(c1[nH]nc(-c2ccccc2)c1Br)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000366602721 563815203 /nfs/dbraw/zinc/81/52/03/563815203.db2.gz RJFMPTFYZWVVPN-OLZOCXBDSA-N 1 0 375.270 2.663 20 0 GFADRO COc1cc(NC(=O)c2cc(Br)cn2C)ccc1OCC[NH+](C)C ZINC000416339475 563816636 /nfs/dbraw/zinc/81/66/36/563816636.db2.gz HKYXJURQVHMUBU-UHFFFAOYSA-N 1 0 396.285 2.989 20 0 GFADRO CC1(C)CCC[N@H+](CCNS(=O)(=O)c2ccccc2Br)C1 ZINC000443971397 563817064 /nfs/dbraw/zinc/81/70/64/563817064.db2.gz VVQGKUKQNDRADZ-UHFFFAOYSA-N 1 0 375.332 2.849 20 0 GFADRO C[C@H](OC[C@H](O)CN1CC[NH+]([C@@H]2CCSC2)CC1)c1ccc(Cl)cc1 ZINC000366661907 563817166 /nfs/dbraw/zinc/81/71/66/563817166.db2.gz HEJYNKSAIYZFOB-KFKAGJAMSA-N 1 0 384.973 2.902 20 0 GFADRO COc1cc(OC)c(S(=O)(=O)NCC[NH+](C(C)C)C(C)C)cc1Cl ZINC000416368946 563818458 /nfs/dbraw/zinc/81/84/58/563818458.db2.gz HWTKHEQAXDZMCF-UHFFFAOYSA-N 1 0 378.922 2.754 20 0 GFADRO O=S(=O)(NCC1([NH+]2CCSCC2)CCCC1)[C@@H]1C[C@H]1c1ccccc1 ZINC000416366365 563818469 /nfs/dbraw/zinc/81/84/69/563818469.db2.gz CVRDFFCFRAAYKI-ZWKOTPCHSA-N 1 0 380.579 2.824 20 0 GFADRO C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@@H](C)c2ccc(Br)s2)C[C@@H]1C ZINC000444094515 563821199 /nfs/dbraw/zinc/82/11/99/563821199.db2.gz AWFMQJVESSVCFR-SRVKXCTJSA-N 1 0 390.347 2.668 20 0 GFADRO Cc1cc(S(=O)(=O)N2CCC[C@H]([NH+](C)C)C2)c(F)cc1Br ZINC000416383691 563821392 /nfs/dbraw/zinc/82/13/92/563821392.db2.gz CSUYVXMCSLIHJR-NSHDSACASA-N 1 0 379.295 2.611 20 0 GFADRO Cn1cc2c(n1)CCC[C@@H]2[NH2+][C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000366838391 563821490 /nfs/dbraw/zinc/82/14/90/563821490.db2.gz BHPOCGICHOQXHI-RDJZCZTQSA-N 1 0 389.297 2.955 20 0 GFADRO C[C@@H]([NH2+]Cc1ccnc(Br)c1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000293684935 563821871 /nfs/dbraw/zinc/82/18/71/563821871.db2.gz BHYYMSPLCKSRHK-GFCCVEGCSA-N 1 0 398.326 2.945 20 0 GFADRO O=C(Nc1cc(-c2cc(Br)ccc2Cl)[nH]n1)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000444116770 563822140 /nfs/dbraw/zinc/82/21/40/563822140.db2.gz QTCKEKCFLPLCKY-ZBEGNZNMSA-N 1 0 395.688 3.431 20 0 GFADRO O=C(NCC[C@H]1CCC[NH2+]1)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1 ZINC000444270755 563826223 /nfs/dbraw/zinc/82/62/23/563826223.db2.gz WETCKQAHUFWAOY-OAHLLOKOSA-N 1 0 384.929 2.685 20 0 GFADRO O=C(NC1CCN(Cc2ccc(Br)cc2)CC1)[C@H]1C[C@]12CC[NH2+]C2 ZINC000444263281 563826232 /nfs/dbraw/zinc/82/62/32/563826232.db2.gz FAUSRXXGZMJZNX-MJGOQNOKSA-N 1 0 392.341 2.529 20 0 GFADRO C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)[C@@H]2C[C@@]23CC[NH2+]C3)CC1 ZINC000444269386 563826549 /nfs/dbraw/zinc/82/65/49/563826549.db2.gz OJKZFANCALGECW-DKSSEZFCSA-N 1 0 392.341 2.654 20 0 GFADRO CC[N@@H+]1C[C@H](C)N(C(=O)c2cnc3ccc(Br)cc3c2O)C[C@H]1C ZINC000444326082 563828449 /nfs/dbraw/zinc/82/84/49/563828449.db2.gz ORIDBCUTOHDIAY-NEPJUHHUSA-N 1 0 392.297 2.845 20 0 GFADRO Cn1cc([C@@H]([NH2+]C[C@H]2CCCS(=O)(=O)C2)c2ccc(F)c(Cl)c2)cn1 ZINC000367055973 563829028 /nfs/dbraw/zinc/82/90/28/563829028.db2.gz UVRNXLOBVPFTSS-PXAZEXFGSA-N 1 0 385.892 2.716 20 0 GFADRO Cc1cc(Br)ccc1C[N@@H+](C)C[C@H](O)CN1C[C@@H](C)O[C@H](C)C1 ZINC000444691671 563834378 /nfs/dbraw/zinc/83/43/78/563834378.db2.gz AIVJDISSOMXXES-RKVPGOIHSA-N 1 0 385.346 2.659 20 0 GFADRO CN1CC[NH+](C[C@@H]2CCCN(C(=O)c3cc(Cl)c(N)c(Cl)c3)C2)CC1 ZINC000367195383 563835421 /nfs/dbraw/zinc/83/54/21/563835421.db2.gz IHFFSWSKKKCNCC-ZDUSSCGKSA-N 1 0 385.339 2.675 20 0 GFADRO CCO[C@@H]1C[C@](CO)([NH2+]Cc2nc3ccc(Br)cc3n2C)C1(C)C ZINC000444802441 563837471 /nfs/dbraw/zinc/83/74/71/563837471.db2.gz NXGJOYMFVOOKBJ-CRAIPNDOSA-N 1 0 396.329 2.992 20 0 GFADRO COC(=O)[C@H](c1cc(Cl)cc(Cl)c1)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000444800977 563837534 /nfs/dbraw/zinc/83/75/34/563837534.db2.gz LUAOCCQHRWIDSN-LRDDRELGSA-N 1 0 389.323 2.985 20 0 GFADRO COc1ccc(Br)c(CC(=O)Nc2nc3c(s2)C[C@@H]([NH3+])CC3)c1 ZINC000367307331 563840120 /nfs/dbraw/zinc/84/01/20/563840120.db2.gz HDVZHHPUEIKKCU-JTQLQIEISA-N 1 0 396.310 2.911 20 0 GFADRO Cc1cc(Br)c(NC(=O)NC[C@@]2(O)CC[N@@H+](C)C2)cc1Cl ZINC000444934781 563840377 /nfs/dbraw/zinc/84/03/77/563840377.db2.gz YEOWOLHAZMACAU-AWEZNQCLSA-N 1 0 376.682 2.599 20 0 GFADRO Cc1cc(Br)ccc1S(=O)(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000445070403 563842607 /nfs/dbraw/zinc/84/26/07/563842607.db2.gz KZXSJVBMNCXILW-UHFFFAOYSA-N 1 0 387.343 2.910 20 0 GFADRO CS(=O)(=O)[C@H]1CCC[C@@H]([NH2+]CCCNc2ccc(C(F)(F)F)cn2)C1 ZINC000294480383 563843672 /nfs/dbraw/zinc/84/36/72/563843672.db2.gz ZYBYNOPLHUBBEZ-KGLIPLIRSA-N 1 0 379.448 2.848 20 0 GFADRO COC(=O)c1ccc(C[N@@H+]2CC[C@@]3(C2)CCCN(C)C3=O)c(Br)c1 ZINC000367438121 563844830 /nfs/dbraw/zinc/84/48/30/563844830.db2.gz KPXVWMVANZQMBR-GOSISDBHSA-N 1 0 395.297 2.680 20 0 GFADRO C[C@H]1CN(c2nc(C(Cl)(Cl)Cl)ns2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000367435645 563845307 /nfs/dbraw/zinc/84/53/07/563845307.db2.gz ODILHSXJUJWPBL-QWRGUYRKSA-N 1 0 398.791 2.827 20 0 GFADRO Cc1ccc(Br)cc1S(=O)(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000416558022 563848379 /nfs/dbraw/zinc/84/83/79/563848379.db2.gz HVISLXWFFSBQKJ-CYBMUJFWSA-N 1 0 375.332 2.768 20 0 GFADRO C[N@@H+]1CCC[C@H](CCNS(=O)(=O)c2ccc(Br)cc2F)C1 ZINC000416559030 563848502 /nfs/dbraw/zinc/84/85/02/563848502.db2.gz QBKSIZFAOYRYCU-LLVKDONJSA-N 1 0 379.295 2.598 20 0 GFADRO CS(=O)(=O)CC1CCC([NH2+]CCNc2ncc(Cl)cc2Cl)CC1 ZINC000294667641 563850159 /nfs/dbraw/zinc/85/01/59/563850159.db2.gz HOJLAIQLQLIBTG-UHFFFAOYSA-N 1 0 380.341 2.993 20 0 GFADRO CCOC(=O)C1(NC(=O)c2cc(C)ccc2Br)CC[NH+](C)CC1 ZINC000367810259 563856223 /nfs/dbraw/zinc/85/62/23/563856223.db2.gz OJOFQNKQJRDDIA-UHFFFAOYSA-N 1 0 383.286 2.515 20 0 GFADRO Cc1nc2c(s1)[C@H]([NH2+][C@H]1CCN(S(=O)(=O)c3ccccc3)C1)CCC2 ZINC000367906133 563858978 /nfs/dbraw/zinc/85/89/78/563858978.db2.gz XZVHYTRUAANHJC-WMLDXEAASA-N 1 0 377.535 2.882 20 0 GFADRO O=S(=O)(c1cccnc1C(F)(F)F)N1CCC[C@@H]([NH+]2CCCCC2)C1 ZINC000367890244 563859082 /nfs/dbraw/zinc/85/90/82/563859082.db2.gz FWSHWLDVDOWYCZ-CYBMUJFWSA-N 1 0 377.432 2.739 20 0 GFADRO O=C1NC[C@@H]2CN(Cc3ccc(OC(F)F)c(Br)c3)CC[C@@H]12 ZINC000367922926 563859761 /nfs/dbraw/zinc/85/97/61/563859761.db2.gz DWZUIJSWFUOKMB-GHMZBOCLSA-N 1 0 375.213 2.618 20 0 GFADRO [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)NCc1ccc(Cl)cc1Cl ZINC000416792228 563861423 /nfs/dbraw/zinc/86/14/23/563861423.db2.gz BSNOKKJZHJBCDD-CQSZACIVSA-N 1 0 387.311 2.523 20 0 GFADRO C[C@@H]([NH2+][C@H]1CCc2nc[nH]c2C1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000368103592 563863783 /nfs/dbraw/zinc/86/37/83/563863783.db2.gz XEQZJBOHQIDAIK-BDAKNGLRSA-N 1 0 389.308 2.572 20 0 GFADRO [NH3+]CCNC(=O)NC[C@@H](c1ccc(Cl)cc1)N1CCc2sccc2C1 ZINC000416994142 563865205 /nfs/dbraw/zinc/86/52/05/563865205.db2.gz JMJJIOITVMJQAB-INIZCTEOSA-N 1 0 378.929 2.759 20 0 GFADRO CC(C)(CNC(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1)c1ccc(Br)cc1 ZINC000417097760 563868267 /nfs/dbraw/zinc/86/82/67/563868267.db2.gz BLVCLWWKRJWPEH-KGLIPLIRSA-N 1 0 380.330 2.978 20 0 GFADRO COC[C@@H]([NH2+]CCc1cn2cc(Br)cc(C)c2n1)C1CCOCC1 ZINC000446890273 563869839 /nfs/dbraw/zinc/86/98/39/563869839.db2.gz ISOROZKBEGLIJR-QGZVFWFLSA-N 1 0 396.329 2.979 20 0 GFADRO O=C(c1cc(=O)[nH]c2c(Br)cccc12)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000368387587 563870056 /nfs/dbraw/zinc/87/00/56/563870056.db2.gz KGDNAPWHKAQZOU-IINYFYTJSA-N 1 0 376.254 2.527 20 0 GFADRO CC[NH2+][C@H](C)CNC(=O)NCC1(c2cccc(Br)c2)CCOCC1 ZINC000417185751 563871527 /nfs/dbraw/zinc/87/15/27/563871527.db2.gz UKNROENORBJPIA-CQSZACIVSA-N 1 0 398.345 2.795 20 0 GFADRO C[C@H](NC(=O)N[C@@H]1CC[NH2+][C@H](C)C1)c1cc2c(cc1Br)OCCO2 ZINC000417187318 563871936 /nfs/dbraw/zinc/87/19/36/563871936.db2.gz WMUKHVOJPBSBGY-GRYCIOLGSA-N 1 0 398.301 2.721 20 0 GFADRO C[C@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)c1cc(Br)nn1C ZINC000368461778 563871944 /nfs/dbraw/zinc/87/19/44/563871944.db2.gz KKHJJBVDEFNLRE-AWEZNQCLSA-N 1 0 391.313 2.919 20 0 GFADRO COc1ccc(C[NH2+][C@H]2CCCN(c3ccnn3C)C2)cc1Br ZINC000447078478 563874311 /nfs/dbraw/zinc/87/43/11/563874311.db2.gz UGCJEQWRIIJPDQ-AWEZNQCLSA-N 1 0 379.302 2.950 20 0 GFADRO Cc1cccc(C(=O)N2CC[C@@H]3CC[N@@H+](C)[C@@H]3C2)c1I ZINC000368597393 563875210 /nfs/dbraw/zinc/87/52/10/563875210.db2.gz XHKVYSYSNLNNOX-GXTWGEPZSA-N 1 0 384.261 2.766 20 0 GFADRO CC(C)[C@@H]([NH3+])CNC(=O)NC[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000417260084 563875419 /nfs/dbraw/zinc/87/54/19/563875419.db2.gz IIYDIXTVTNUNDC-CJNGLKHVSA-N 1 0 383.334 2.558 20 0 GFADRO COCC[N@@H+]1CC[C@H](NC(=O)Nc2ccc(Cl)c(Br)c2)C1 ZINC000447141449 563875544 /nfs/dbraw/zinc/87/55/44/563875544.db2.gz ZLVOPAVIROWQKF-NSHDSACASA-N 1 0 376.682 2.945 20 0 GFADRO C[NH2+]C[C@@H]1CCCN1C(=O)NC[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000417267953 563875660 /nfs/dbraw/zinc/87/56/60/563875660.db2.gz YJHOSEUSSSXOEO-PBHICJAKSA-N 1 0 395.345 2.669 20 0 GFADRO Cc1cc(N2CC[C@H](N(C)Cc3cnccn3)C2=O)ccc1Br ZINC000368630190 563875687 /nfs/dbraw/zinc/87/56/87/563875687.db2.gz DODIOMLYTNOQEU-INIZCTEOSA-N 1 0 375.270 2.785 20 0 GFADRO O=S1(=O)CC[C@H]2C[N@@H+](CCCCOc3cccc(C(F)(F)F)c3)C[C@H]21 ZINC000368614425 563875943 /nfs/dbraw/zinc/87/59/43/563875943.db2.gz NNMCDMOVHNEBRJ-XJKSGUPXSA-N 1 0 377.428 2.983 20 0 GFADRO CC[NH+](CC)CCNC(=O)Nc1nnc(COc2ccc(Cl)cc2)s1 ZINC000417277493 563876188 /nfs/dbraw/zinc/87/61/88/563876188.db2.gz GZKDJBPCYPBIHV-UHFFFAOYSA-N 1 0 383.905 3.234 20 0 GFADRO [NH3+]C[C@@H](NS(=O)(=O)c1cc(Br)sc1Cl)C1CCCC1 ZINC000447247005 563877809 /nfs/dbraw/zinc/87/78/09/563877809.db2.gz QRJMYYUGGWDKKO-MRVPVSSYSA-N 1 0 387.752 2.960 20 0 GFADRO [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NS(=O)(=O)c1ccccc1OC(F)(F)F ZINC000447244233 563877838 /nfs/dbraw/zinc/87/78/38/563877838.db2.gz CNMBKKIDWUWOCT-QOARYFPJSA-N 1 0 378.416 2.770 20 0 GFADRO COC[C@@]1(CNC(=O)NCc2c(C)cc(Br)cc2C)CCC[NH2+]1 ZINC000417361273 563878833 /nfs/dbraw/zinc/87/88/33/563878833.db2.gz KNFLEGWABQIWLV-KRWDZBQOSA-N 1 0 384.318 2.634 20 0 GFADRO Cc1cc(Br)ccc1C(=O)N1CCC([NH2+][C@H]2C[C@@](C)(O)C2)CC1 ZINC000417399699 563879079 /nfs/dbraw/zinc/87/90/79/563879079.db2.gz IRICCNQEBAXTQW-RHNCMZPLSA-N 1 0 381.314 2.865 20 0 GFADRO [NH3+]C1(CNC(=O)NCc2cc(Br)ccc2OC(F)F)CCC1 ZINC000417412917 563879771 /nfs/dbraw/zinc/87/97/71/563879771.db2.gz VCHDBEXTDLSODZ-UHFFFAOYSA-N 1 0 378.217 2.731 20 0 GFADRO COc1cc(Br)c(CNC(=O)N[C@@H](C)CCCC[NH3+])cc1OC ZINC000417450325 563880547 /nfs/dbraw/zinc/88/05/47/563880547.db2.gz ZWJMQPRODFRGQU-NSHDSACASA-N 1 0 388.306 2.783 20 0 GFADRO CO[C@@H]1CCN(C(=O)N[C@H]2CCc3c2cccc3Br)[C@@H](C[NH3+])C1 ZINC000417455731 563880663 /nfs/dbraw/zinc/88/06/63/563880663.db2.gz YPAQLHKQYIMURI-HSMVNMDESA-N 1 0 382.302 2.584 20 0 GFADRO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(C(=O)c2cc(Cl)sc2Cl)CC1 ZINC000368891910 563881015 /nfs/dbraw/zinc/88/10/15/563881015.db2.gz KSARJZRIMLIKCX-LLVKDONJSA-N 1 0 376.309 2.609 20 0 GFADRO [NH3+]C[C@H](NC(=O)N[C@H]1CCN(c2ccc(Br)cc2)C1)C1CCCC1 ZINC000417484821 563880999 /nfs/dbraw/zinc/88/09/99/563880999.db2.gz VOFSVUVERCYWEN-RDJZCZTQSA-N 1 0 395.345 2.845 20 0 GFADRO C[C@@H](CNC(=O)N1CC[C@H](N2CC[NH2+]CC2)C1)c1c(Cl)cccc1Cl ZINC000417490971 563881080 /nfs/dbraw/zinc/88/10/80/563881080.db2.gz SGKSQIILVVPHFU-KBPBESRZSA-N 1 0 385.339 2.786 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000417485657 563881099 /nfs/dbraw/zinc/88/10/99/563881099.db2.gz LQSDVENZJYNFSU-KGLIPLIRSA-N 1 0 397.317 2.655 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H](CNC(=O)N[C@H]2CCN(c3ccc(Br)cc3)C2)C1 ZINC000417484417 563881181 /nfs/dbraw/zinc/88/11/81/563881181.db2.gz UREMMXAZYUDGPD-BMFZPTHFSA-N 1 0 395.345 2.845 20 0 GFADRO C[C@H](CCCC[NH3+])NC(=O)N[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000417482427 563881210 /nfs/dbraw/zinc/88/12/10/563881210.db2.gz PKMRBHFERBWYSM-HIFRSBDPSA-N 1 0 383.334 2.845 20 0 GFADRO Cc1cc(NC(=O)NC[C@@H]2CCC[N@@H+]2CCCO)cc(F)c1Br ZINC000417524455 563881637 /nfs/dbraw/zinc/88/16/37/563881637.db2.gz JRBSDWQEKKXUBF-ZDUSSCGKSA-N 1 0 388.281 2.865 20 0 GFADRO Cc1c([C@H](C)NCCOCC[NH+](C)C)nnn1-c1cccc(Br)c1 ZINC000447597474 563883485 /nfs/dbraw/zinc/88/34/85/563883485.db2.gz GEYCQNKTVRQQFD-ZDUSSCGKSA-N 1 0 396.333 2.567 20 0 GFADRO C[C@H](Cc1ccc(Br)cc1)C(=O)N1CCC[N@@H+]([C@@H](C)CO)CC1 ZINC000368976204 563883648 /nfs/dbraw/zinc/88/36/48/563883648.db2.gz USZLGZXMLDATCG-CABCVRRESA-N 1 0 383.330 2.543 20 0 GFADRO CN(Cc1csc(Br)c1)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000369029492 563884979 /nfs/dbraw/zinc/88/49/79/563884979.db2.gz XQVCSFJNGLIVNO-CHWSQXEVSA-N 1 0 388.331 2.515 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000369037534 563885043 /nfs/dbraw/zinc/88/50/43/563885043.db2.gz YJFBVNKMABDDCC-HZPDHXFCSA-N 1 0 382.302 2.820 20 0 GFADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)NC1(c2ccc(Br)cc2)CC1 ZINC000369051154 563885756 /nfs/dbraw/zinc/88/57/56/563885756.db2.gz RCOQQEJLJJGZRH-JKSUJKDBSA-N 1 0 394.313 2.601 20 0 GFADRO CC[C@@H](NC(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+])c1ccc(Cl)s1 ZINC000417645436 563887029 /nfs/dbraw/zinc/88/70/29/563887029.db2.gz HBKNOQUEABPGNS-QWHCGFSZSA-N 1 0 386.949 2.882 20 0 GFADRO CC1(C)C[N@H+](C[C@H](O)COc2ccc(Cl)cc2Br)C[C@H]1O ZINC000447801105 563887092 /nfs/dbraw/zinc/88/70/92/563887092.db2.gz YYDPFLRQCHDBTL-SMDDNHRTSA-N 1 0 378.694 2.545 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)NCCOc2ncc(C(F)(F)F)cc2Cl)C1 ZINC000417728540 563888054 /nfs/dbraw/zinc/88/80/54/563888054.db2.gz ASYFQRJDZFLYCS-ZJUUUORDSA-N 1 0 380.798 2.511 20 0 GFADRO CCC[NH+]1CCN(C2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)CC1 ZINC000369153105 563888270 /nfs/dbraw/zinc/88/82/70/563888270.db2.gz BOHQXTDSTCTUHR-UHFFFAOYSA-N 1 0 391.990 2.582 20 0 GFADRO C[NH+](C)[C@@]1(C(=O)Nc2cc(Br)c[nH]c2=O)CCc2ccccc21 ZINC000369171270 563888570 /nfs/dbraw/zinc/88/85/70/563888570.db2.gz HCAGSZGRIHUZBU-KRWDZBQOSA-N 1 0 376.254 2.892 20 0 GFADRO C[C@@H](C[NH+]1CCCCCC1)NS(=O)(=O)c1ccc(OC(F)F)c(F)c1 ZINC000447870217 563888726 /nfs/dbraw/zinc/88/87/26/563888726.db2.gz XPESCPLSBGENAX-LBPRGKRZSA-N 1 0 380.432 2.970 20 0 GFADRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NS(=O)(=O)c1ccc(OC(F)F)c(F)c1 ZINC000447869921 563888961 /nfs/dbraw/zinc/88/89/61/563888961.db2.gz WAMGVIQIJRHBLI-RYUDHWBXSA-N 1 0 380.432 2.826 20 0 GFADRO CC[C@H](NC(=O)NC[C@@]1(COC)CCC[NH2+]1)c1nc(C(F)(F)F)cs1 ZINC000417782605 563889143 /nfs/dbraw/zinc/88/91/43/563889143.db2.gz LPZGWKDELFJZEC-IINYFYTJSA-N 1 0 380.436 2.681 20 0 GFADRO C[C@H](CNC(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1)Oc1cccc(Br)c1 ZINC000417788971 563889293 /nfs/dbraw/zinc/88/92/93/563889293.db2.gz GXDYTYUDCRAEQS-DLTLXFJOSA-N 1 0 396.329 2.985 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)NC[C@@H](C)Oc2cccc(Br)c2)C1 ZINC000417785470 563889390 /nfs/dbraw/zinc/88/93/90/563889390.db2.gz CXOKCVBSHPTDLI-MGPQQGTHSA-N 1 0 384.318 2.985 20 0 GFADRO C[C@H](CNC(=O)NC[C@]1(C)CCC[NH2+]C1)Oc1ccccc1Br ZINC000417826044 563889896 /nfs/dbraw/zinc/88/98/96/563889896.db2.gz NTXMGZFUTCOKBG-CXAGYDPISA-N 1 0 384.318 2.905 20 0 GFADRO C[C@H](CNC(=O)NCC[C@H]1CCC[NH2+]C1)Oc1ccccc1Br ZINC000417826069 563890229 /nfs/dbraw/zinc/89/02/29/563890229.db2.gz NWOPCILFZUBYQT-ZIAGYGMSSA-N 1 0 384.318 2.905 20 0 GFADRO CCn1nncc1C[NH2+]CC1(c2cccc(Br)c2)CCOCC1 ZINC000417866956 563890246 /nfs/dbraw/zinc/89/02/46/563890246.db2.gz CUVOZAFWKWKSCO-UHFFFAOYSA-N 1 0 379.302 2.899 20 0 GFADRO C[C@H](NC(=O)N1CC[C@H]([NH3+])[C@@H]1C)c1nc(-c2ccc(Br)cc2)no1 ZINC000417882274 563890313 /nfs/dbraw/zinc/89/03/13/563890313.db2.gz DOASWZXQQDFOIY-KWBADKCTSA-N 1 0 394.273 2.691 20 0 GFADRO O=C(NCc1ccc(O)c(Br)c1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000417892548 563890812 /nfs/dbraw/zinc/89/08/12/563890812.db2.gz DGKFEUCGIUVAMS-AWEZNQCLSA-N 1 0 382.302 2.686 20 0 GFADRO CC[NH2+][C@H](C)CNC(=O)NC1CCN(Cc2ccc(Br)cc2)CC1 ZINC000417887386 563890923 /nfs/dbraw/zinc/89/09/23/563890923.db2.gz KOTZZUSMRKIWDS-CQSZACIVSA-N 1 0 397.361 2.711 20 0 GFADRO CC(C)(CNC(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1)c1ccccc1Br ZINC000417911468 563891610 /nfs/dbraw/zinc/89/16/10/563891610.db2.gz LWNUROVCZGCYCK-UONOGXRCSA-N 1 0 380.330 2.978 20 0 GFADRO C[C@H](Cc1cc(Br)ccc1F)NC(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000417919553 563891763 /nfs/dbraw/zinc/89/17/63/563891763.db2.gz CTOSAPCPUVNNAW-SJKOYZFVSA-N 1 0 384.293 2.914 20 0 GFADRO O=C(Cc1ccc(Br)s1)NC[C@@H]1CCC[C@@H]1[NH+]1CCOCC1 ZINC000369335227 563892419 /nfs/dbraw/zinc/89/24/19/563892419.db2.gz ODWUIEXCJJAPGF-JSGCOSHPSA-N 1 0 387.343 2.670 20 0 GFADRO C[C@@H](Cc1c(Cl)cccc1Cl)NC(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000417951167 563892420 /nfs/dbraw/zinc/89/24/20/563892420.db2.gz WVMYYVLVQDRYEY-KBPBESRZSA-N 1 0 385.339 2.614 20 0 GFADRO C[C@@H]1C[N@@H+](C2CCN(C(=O)Cc3ccc(Br)s3)CC2)CCO1 ZINC000369334766 563892675 /nfs/dbraw/zinc/89/26/75/563892675.db2.gz IPRTWOGSOFZXNX-GFCCVEGCSA-N 1 0 387.343 2.765 20 0 GFADRO C[NH2+]C[C@@H](C)CNC(=O)NCCCOc1ncc(C(F)(F)F)cc1Cl ZINC000417968657 563892740 /nfs/dbraw/zinc/89/27/40/563892740.db2.gz XRJWULUUNKFRKN-SNVBAGLBSA-N 1 0 382.814 2.677 20 0 GFADRO CO[C@@H](c1ccc(Br)cc1)[C@H](C)NC(=O)NCC[C@H]1CCC[NH2+]1 ZINC000417970876 563892835 /nfs/dbraw/zinc/89/28/35/563892835.db2.gz ALYDZTRRWVYVKK-APHBMKBZSA-N 1 0 384.318 2.966 20 0 GFADRO O=C(NCCOc1ccc(Br)cc1C(F)(F)F)N[C@H]1CC[NH2+]C1 ZINC000417956524 563892993 /nfs/dbraw/zinc/89/29/93/563892993.db2.gz SLEWVOJKWCWPKN-JTQLQIEISA-N 1 0 396.207 2.508 20 0 GFADRO CO[C@@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)NCC[C@H]1CCC[NH2+]1 ZINC000417970877 563893086 /nfs/dbraw/zinc/89/30/86/563893086.db2.gz ALYDZTRRWVYVKK-DAXOMENPSA-N 1 0 384.318 2.966 20 0 GFADRO Cc1cc(Br)ccc1C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000369352816 563893289 /nfs/dbraw/zinc/89/32/89/563893289.db2.gz GIYHSXMDWZUBIU-MRXNPFEDSA-N 1 0 380.330 2.610 20 0 GFADRO Fc1ccc(C[NH2+]CCn2cnnc2C2CC2)c(I)c1 ZINC000417978754 563893375 /nfs/dbraw/zinc/89/33/75/563893375.db2.gz ZZMYAQIEOROWDF-UHFFFAOYSA-N 1 0 386.212 2.689 20 0 GFADRO CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000417976747 563893541 /nfs/dbraw/zinc/89/35/41/563893541.db2.gz FODHMKBYKPNVKP-DVZHBHJUSA-N 1 0 384.318 2.917 20 0 GFADRO [NH3+]C[C@H]1CC[C@H](NC(=O)NCCc2c[nH]c3ccc(Br)cc23)C1 ZINC000418002798 563894540 /nfs/dbraw/zinc/89/45/40/563894540.db2.gz MMUOWCUKUVMXDG-FZMZJTMJSA-N 1 0 379.302 2.900 20 0 GFADRO CC1(NC(=O)N[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)CC[NH2+]CC1 ZINC000418003823 563894618 /nfs/dbraw/zinc/89/46/18/563894618.db2.gz NCLBQKYJFXHADG-AWEZNQCLSA-N 1 0 385.295 2.540 20 0 GFADRO C[C@H]1[C@H](NC(=O)Nc2ccnn2-c2ccc(Br)cn2)CCC[N@@H+]1C ZINC000448131373 563894619 /nfs/dbraw/zinc/89/46/19/563894619.db2.gz XGKTXJWLKVJBLO-WCQYABFASA-N 1 0 393.289 2.634 20 0 GFADRO Cc1cc(Br)cn2cc(CNC(=O)N3CCCC[C@H]3[C@@H](C)[NH3+])nc12 ZINC000418020720 563895426 /nfs/dbraw/zinc/89/54/26/563895426.db2.gz HBBGCWXEURUGQN-DOMZBBRYSA-N 1 0 394.317 2.817 20 0 GFADRO Cc1cc(Br)cn2cc(CNC(=O)N3CCC[C@@H]([C@@H](C)[NH3+])C3)nc12 ZINC000418027759 563896105 /nfs/dbraw/zinc/89/61/05/563896105.db2.gz XJUOQLVVHAXLDX-CHWSQXEVSA-N 1 0 394.317 2.674 20 0 GFADRO CO[C@H]1CCN(C(=O)N[C@@H](C)c2ccc(Br)s2)[C@@H](C[NH3+])C1 ZINC000418059337 563896905 /nfs/dbraw/zinc/89/69/05/563896905.db2.gz NJMIGSMUBWQBKN-AXFHLTTASA-N 1 0 376.320 2.719 20 0 GFADRO O=C(N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000418077770 563897689 /nfs/dbraw/zinc/89/76/89/563897689.db2.gz IOYDHRNYPINNKS-UMVBOHGHSA-N 1 0 383.323 2.823 20 0 GFADRO [NH3+][C@@H]1CCC[C@H](NC(=O)NCc2cnn(-c3ccc(Br)cc3)c2)C1 ZINC000418089011 563898465 /nfs/dbraw/zinc/89/84/65/563898465.db2.gz LKCNSXYAYFWRDQ-CABCVRRESA-N 1 0 392.301 2.704 20 0 GFADRO CC1(C)CCC[NH2+][C@@H]1CNC(=O)NCCCCn1cc(Br)cn1 ZINC000418106869 563898936 /nfs/dbraw/zinc/89/89/36/563898936.db2.gz NZNITJJWHBXISX-CQSZACIVSA-N 1 0 386.338 2.503 20 0 GFADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)Cc2sccc2Br)C1 ZINC000448609192 563899043 /nfs/dbraw/zinc/89/90/43/563899043.db2.gz ZIOZFLYUORXTQE-LBPRGKRZSA-N 1 0 375.332 2.526 20 0 GFADRO CC(C)[NH+](CCNC(=O)c1cccnc1-n1cc(Br)cn1)C(C)C ZINC000448608695 563899286 /nfs/dbraw/zinc/89/92/86/563899286.db2.gz WZRAYNBNXHJRNK-UHFFFAOYSA-N 1 0 394.317 2.878 20 0 GFADRO CCn1cncc1C[NH2+]C[C@@H](CO)Cc1ccc(OC)c(Br)c1 ZINC000418118434 563899412 /nfs/dbraw/zinc/89/94/12/563899412.db2.gz SYOTYVWGMIVQBN-AWEZNQCLSA-N 1 0 382.302 2.615 20 0 GFADRO C[C@H](CCC[NH3+])NC(=O)NCc1ccc(I)cc1Cl ZINC000418125542 563899414 /nfs/dbraw/zinc/89/94/14/563899414.db2.gz NVALTQNCWURULB-SECBINFHSA-N 1 0 395.672 2.871 20 0 GFADRO C[C@@H]([NH3+])[C@H](C)NC(=O)N[C@H](C)CCc1ccc(I)cc1 ZINC000418119139 563899579 /nfs/dbraw/zinc/89/95/79/563899579.db2.gz XGUDMYBKMLVNLJ-UTUOFQBUSA-N 1 0 389.281 2.647 20 0 GFADRO O=C(NCCC[C@@H]1CCC[NH2+]1)N[C@H]1COc2cc(F)c(Br)cc21 ZINC000418149359 563899848 /nfs/dbraw/zinc/89/98/48/563899848.db2.gz DRAVIGUTEGKRJT-HZMBPMFUSA-N 1 0 386.265 2.853 20 0 GFADRO FC(F)CN1CC[C@@H]([NH2+]Cc2cc(Br)c3c(c2)OCCO3)C1 ZINC000418138199 563899947 /nfs/dbraw/zinc/89/99/47/563899947.db2.gz SLEHRYIHWNEMPW-LLVKDONJSA-N 1 0 377.229 2.649 20 0 GFADRO COCC[N@H+](C)CCCNC(=O)c1cc2c(Br)cccc2cn1 ZINC000448690652 563900065 /nfs/dbraw/zinc/90/00/65/563900065.db2.gz NUCCHAGAGDNYNJ-UHFFFAOYSA-N 1 0 380.286 2.695 20 0 GFADRO [NH3+]CC[C@H]1CCCN(C(=O)NCc2cc(F)c(F)cc2Br)C1 ZINC000418182354 563900686 /nfs/dbraw/zinc/90/06/86/563900686.db2.gz NNNLKSXQESSXNX-SNVBAGLBSA-N 1 0 376.245 2.998 20 0 GFADRO CN(C(=O)c1ccccc1-n1cc(Br)cn1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000448963178 563904136 /nfs/dbraw/zinc/90/41/36/563904136.db2.gz RUERTEUCWJYSGW-OAHLLOKOSA-N 1 0 389.297 2.944 20 0 GFADRO CC[NH+]1CCN([C@@H](C)CNC(=O)c2cc(Br)c(C)cc2C)CC1 ZINC000448973997 563904427 /nfs/dbraw/zinc/90/44/27/563904427.db2.gz HWJVSDOFFDBQHU-HNNXBMFYSA-N 1 0 382.346 2.822 20 0 GFADRO C[C@@H](C[NH2+]Cc1cn(C)nc1C(F)(F)F)c1ccc(S(C)(=O)=O)cc1 ZINC000449199000 563907827 /nfs/dbraw/zinc/90/78/27/563907827.db2.gz DWKGECHTEKGFDM-NSHDSACASA-N 1 0 375.416 2.736 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]C[C@H]1CCCS1 ZINC000449195048 563907946 /nfs/dbraw/zinc/90/79/46/563907946.db2.gz VRZLKYXZIWFESH-SMDDNHRTSA-N 1 0 387.343 2.948 20 0 GFADRO COCCc1nc(C)c([C@@H](C)[NH2+]Cc2ccc3c(c2)CCS3(=O)=O)s1 ZINC000537959252 564178214 /nfs/dbraw/zinc/17/82/14/564178214.db2.gz ZBHSXGKRWBDLMR-GFCCVEGCSA-N 1 0 380.535 2.821 20 0 GFADRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)C1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000563171430 564178647 /nfs/dbraw/zinc/17/86/47/564178647.db2.gz XEGPPKWNJICRJZ-CHWSQXEVSA-N 1 0 396.329 2.543 20 0 GFADRO C[N@H+](CC1CC1)C[C@H]1CCN([C@@H](C(N)=O)c2ccc(Br)cc2F)C1 ZINC000470955879 564181114 /nfs/dbraw/zinc/18/11/14/564181114.db2.gz PILYKWCCWYOZBH-CXAGYDPISA-N 1 0 398.320 2.778 20 0 GFADRO C[N@H+](CC1CC1)C[C@H]1CCN([C@@H](C(N)=O)c2ccc(Br)cc2)C1 ZINC000470958534 564181358 /nfs/dbraw/zinc/18/13/58/564181358.db2.gz KHGYFHKIOONWRE-RHSMWYFYSA-N 1 0 380.330 2.639 20 0 GFADRO O=C(CNCc1cc(F)cc(Br)c1)NCC[NH+]1CCCCCC1 ZINC000449341952 564181840 /nfs/dbraw/zinc/18/18/40/564181840.db2.gz XWPYRDRLQPTXLX-UHFFFAOYSA-N 1 0 386.309 2.670 20 0 GFADRO C[N@H+](Cc1cccc(Br)c1OC(F)F)[C@@H]1CCN2CCO[C@H]1C2 ZINC000449360037 564182380 /nfs/dbraw/zinc/18/23/80/564182380.db2.gz GKDSUWNGQGGMER-KGLIPLIRSA-N 1 0 391.256 2.955 20 0 GFADRO C[N@H+](Cc1cccc(Br)c1OC(F)F)[C@H]1CCN2CCO[C@H]1C2 ZINC000449360036 564182410 /nfs/dbraw/zinc/18/24/10/564182410.db2.gz GKDSUWNGQGGMER-KBPBESRZSA-N 1 0 391.256 2.955 20 0 GFADRO COc1nccc(C[NH2+][C@H](C)CC(=O)Nc2ccc(Br)cc2)n1 ZINC000449372195 564182500 /nfs/dbraw/zinc/18/25/00/564182500.db2.gz DJENHOMCQJJDHF-LLVKDONJSA-N 1 0 379.258 2.755 20 0 GFADRO OCCCN1CCC[C@H]1C[NH2+]CC1=Cc2cc(Br)ccc2OC1 ZINC000449384260 564182839 /nfs/dbraw/zinc/18/28/39/564182839.db2.gz APNAYLQEAQIYCM-KRWDZBQOSA-N 1 0 381.314 2.661 20 0 GFADRO CCOc1c(Br)cc(C[NH2+]CC[C@@](C)(O)COC)cc1OC ZINC000449383271 564183066 /nfs/dbraw/zinc/18/30/66/564183066.db2.gz GFMIILARSLCMQL-MRXNPFEDSA-N 1 0 376.291 2.734 20 0 GFADRO OCCC[N@@H+]1CCC[C@H]1CNCc1cn(-c2cccc(Cl)c2Cl)nn1 ZINC000449386475 564183092 /nfs/dbraw/zinc/18/30/92/564183092.db2.gz INVYAWORKDJQRH-AWEZNQCLSA-N 1 0 384.311 2.511 20 0 GFADRO COC(=O)c1ccc(Cl)c(C[NH2+]CCn2cc(Br)ccc2=O)c1 ZINC000449381651 564183394 /nfs/dbraw/zinc/18/33/94/564183394.db2.gz ZDOLKZQSHVWSOX-UHFFFAOYSA-N 1 0 399.672 2.841 20 0 GFADRO COCCOCc1ccc(C[NH2+]CCn2cc(Br)ccc2=O)cc1 ZINC000449376260 564183474 /nfs/dbraw/zinc/18/34/74/564183474.db2.gz KYZPJWIKEGUTPU-UHFFFAOYSA-N 1 0 395.297 2.564 20 0 GFADRO Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)[NH2+][C@H]1CCN(S(C)(=O)=O)C1 ZINC000563262994 564183564 /nfs/dbraw/zinc/18/35/64/564183564.db2.gz CFHPFIAJCMVYAG-ABAIWWIYSA-N 1 0 383.514 2.942 20 0 GFADRO CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+]CCOCC(F)(F)F)cc1 ZINC000505463060 564183553 /nfs/dbraw/zinc/18/35/53/564183553.db2.gz WRTWRWNQGZYYBR-CYBMUJFWSA-N 1 0 382.448 2.947 20 0 GFADRO CN(C)C(=O)[C@@H]1CC[C@H](C[NH2+][C@H]2CCc3c2cc(Br)cc3F)O1 ZINC000538194755 564184140 /nfs/dbraw/zinc/18/41/40/564184140.db2.gz LFWCKYRXYYSCFV-RLCCDNCMSA-N 1 0 385.277 2.801 20 0 GFADRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)[C@@H]1Cc2cc(Br)ccc2O1 ZINC000471087503 564184511 /nfs/dbraw/zinc/18/45/11/564184511.db2.gz TZHUFHRLIRGWLF-PXAZEXFGSA-N 1 0 381.314 2.941 20 0 GFADRO OCCN1CCCC[C@H]1C[NH2+]Cc1cccc(Br)c1OC(F)F ZINC000449395339 564184725 /nfs/dbraw/zinc/18/47/25/564184725.db2.gz POFMZZHRZBAYSJ-ZDUSSCGKSA-N 1 0 393.272 2.987 20 0 GFADRO CC[C@@H]1[C@H](CO)CC[N@@H+]1Cc1cc(Br)ccc1O[C@@H](C)C(=O)NC ZINC000449419005 564185987 /nfs/dbraw/zinc/18/59/87/564185987.db2.gz GJOSQBCCFSXXRD-HEHGZKQESA-N 1 0 399.329 2.555 20 0 GFADRO C[NH+](C)CCN(C(=O)c1cc(F)c(F)cc1I)C1CC1 ZINC000505669207 564187202 /nfs/dbraw/zinc/18/72/02/564187202.db2.gz NHFYSJOKIGGEAU-UHFFFAOYSA-N 1 0 394.203 2.736 20 0 GFADRO CO[C@H]1COCC[C@H]1C[NH2+]Cc1ncc(Br)cc1Br ZINC000449463509 564187881 /nfs/dbraw/zinc/18/78/81/564187881.db2.gz XBZHWVWGVQNSRG-ZANVPECISA-N 1 0 394.107 2.748 20 0 GFADRO O=C(NCC[NH+]1CCCCC1)C1(c2cccc(Br)c2)CC(=O)C1 ZINC000538317775 564188009 /nfs/dbraw/zinc/18/80/09/564188009.db2.gz OBPQOMCJCCGKTC-UHFFFAOYSA-N 1 0 379.298 2.652 20 0 GFADRO CN(C)C(=O)C1([NH2+]Cc2cn3ccc(Br)cc3n2)CCCCC1 ZINC000449464626 564188172 /nfs/dbraw/zinc/18/81/72/564188172.db2.gz ZWVAFSUKIXKFFH-UHFFFAOYSA-N 1 0 379.302 2.978 20 0 GFADRO O[C@@]1(C(F)F)CC[N@H+](CCCOc2cccc(I)c2)C1 ZINC000449476267 564188205 /nfs/dbraw/zinc/18/82/05/564188205.db2.gz VIEIPWXVWFXKBY-AWEZNQCLSA-N 1 0 397.203 2.762 20 0 GFADRO Cc1cc(N2C[C@@H](C(=O)N(C)CCC[NH+](C)C)CC2=O)ccc1Br ZINC000538316145 564188442 /nfs/dbraw/zinc/18/84/42/564188442.db2.gz QVJHISIXMWCKDJ-AWEZNQCLSA-N 1 0 396.329 2.521 20 0 GFADRO C[C@H]1COCC[N@@H+]1C1CCN(Cc2cc3c(cc2Br)OCO3)CC1 ZINC000563366545 564188486 /nfs/dbraw/zinc/18/84/86/564188486.db2.gz UZMWPKXTCLGXLT-ZDUSSCGKSA-N 1 0 397.313 2.863 20 0 GFADRO CS[C@@H]1CN(CC(=O)N2CC[C@H](C)Sc3ccccc32)C[C@H]1[NH+](C)C ZINC000538376437 564188857 /nfs/dbraw/zinc/18/88/57/564188857.db2.gz GLFDFMCTQCWZTN-YXJHDRRASA-N 1 0 379.595 2.881 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[N@@H+]1CC[C@H](OC)[C@H](C)C1 ZINC000449492922 564188965 /nfs/dbraw/zinc/18/89/65/564188965.db2.gz CUQMRTMHBJMYNP-WWGRRREGSA-N 1 0 399.329 2.819 20 0 GFADRO Cc1cc(Br)c(C(=O)NC[C@]2(O)C[NH+]3CCC2CC3)cc1Cl ZINC000563398281 564189442 /nfs/dbraw/zinc/18/94/42/564189442.db2.gz YYPBXNSBFVQTSN-INIZCTEOSA-N 1 0 387.705 2.597 20 0 GFADRO Cc1c(I)cccc1C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000471224394 564189750 /nfs/dbraw/zinc/18/97/50/564189750.db2.gz OJKXEXNOVFCPAX-CABCVRRESA-N 1 0 384.261 2.956 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(Cc3c(Br)cncc3Br)C[C@@H]21 ZINC000449524391 564190083 /nfs/dbraw/zinc/19/00/83/564190083.db2.gz QEYXNNXBFWHOHY-RNCFNFMXSA-N 1 0 375.108 2.743 20 0 GFADRO CC[NH+](CC)[C@@H]1CCN(C(=O)C2(c3cccc(Br)c3)CC(=O)C2)C1 ZINC000538386908 564190297 /nfs/dbraw/zinc/19/02/97/564190297.db2.gz IEXLFKIUHQXGMX-MRXNPFEDSA-N 1 0 393.325 2.993 20 0 GFADRO CCn1cc(C[NH2+]C[C@@H](CO)Cc2ccc(OC)c(Br)c2)cn1 ZINC000449596737 564190743 /nfs/dbraw/zinc/19/07/43/564190743.db2.gz CJAFAIGVKMUPQT-AWEZNQCLSA-N 1 0 382.302 2.615 20 0 GFADRO C[C@@H]1CN(C(=O)c2nn(-c3ccc(F)cc3)cc2Br)[C@@H](C)C[NH2+]1 ZINC000505844369 564191667 /nfs/dbraw/zinc/19/16/67/564191667.db2.gz FQBRKYJFULLGOE-MNOVXSKESA-N 1 0 381.249 2.596 20 0 GFADRO CC[N@@H+]1CCCC[C@H]1CNC(=O)Cc1cccc(I)c1 ZINC000471275171 564191782 /nfs/dbraw/zinc/19/17/82/564191782.db2.gz BZZFFFCNQVJXGA-HNNXBMFYSA-N 1 0 386.277 2.824 20 0 GFADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+]C[C@@H]1CCCC[C@H]1O ZINC000449602647 564192014 /nfs/dbraw/zinc/19/20/14/564192014.db2.gz PGFDSFAUXQMQRB-DVOMOZLQSA-N 1 0 399.329 2.603 20 0 GFADRO CCN1C[C@H](C)[C@H]([NH2+]C[C@H](CO)Cc2ccc(OC)c(Br)c2)C1 ZINC000449601151 564192490 /nfs/dbraw/zinc/19/24/90/564192490.db2.gz QQYIYEXKFZIUJF-YSVLISHTSA-N 1 0 385.346 2.539 20 0 GFADRO C[C@H](Cn1cc(Br)cn1)[NH2+][C@H](C)C(=O)N1c2ccccc2C[C@@H]1C ZINC000449645281 564192895 /nfs/dbraw/zinc/19/28/95/564192895.db2.gz JEUQJLCICQQKHT-HZSPNIEDSA-N 1 0 391.313 2.990 20 0 GFADRO COC[C@]1(CNC(=O)Nc2cccc3cc(Br)cnc32)CCC[NH2+]1 ZINC000563498396 564192997 /nfs/dbraw/zinc/19/29/97/564192997.db2.gz UEDYKLFMCVJILF-QGZVFWFLSA-N 1 0 393.285 2.887 20 0 GFADRO CN(C)c1cc(NCc2ccc(N3CCCC3)nc2)[nH+]cc1Br ZINC000449651407 564193268 /nfs/dbraw/zinc/19/32/68/564193268.db2.gz WFEWGKVQAJKLBE-UHFFFAOYSA-N 1 0 376.302 3.517 20 0 GFADRO COc1cc(NC(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)cc(OC)c1Br ZINC000563480574 564193440 /nfs/dbraw/zinc/19/34/40/564193440.db2.gz DRQQYVCYFVGBBC-WDEREUQCSA-N 1 0 384.274 2.540 20 0 GFADRO CO[C@](C)(C[NH2+]C[C@H](O)COc1cc(F)cc(Br)c1)C1CC1 ZINC000563530612 564195553 /nfs/dbraw/zinc/19/55/53/564195553.db2.gz OYJOBBQHVIYFER-GOEBONIOSA-N 1 0 376.266 2.733 20 0 GFADRO OC[C@H](C[NH2+]Cc1cnc2cnccn12)Cc1ccc(F)c(Br)c1 ZINC000449684610 564195719 /nfs/dbraw/zinc/19/57/19/564195719.db2.gz PVMOBJBILLLSSP-ZDUSSCGKSA-N 1 0 393.260 2.572 20 0 GFADRO C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)N1CC[N@H+](C)C(C)(C)C1 ZINC000563545507 564196016 /nfs/dbraw/zinc/19/60/16/564196016.db2.gz OYGQVOIEHYWVJB-CQSZACIVSA-N 1 0 382.346 2.822 20 0 GFADRO CC(C)(C)n1cc(C[NH2+]C[C@@H](CO)Cc2ccc(F)c(Br)c2)nn1 ZINC000449681556 564196164 /nfs/dbraw/zinc/19/61/64/564196164.db2.gz JNVRCELFEGDRJP-ZDUSSCGKSA-N 1 0 399.308 2.876 20 0 GFADRO CC[NH+]1CCN(CC(C)(C)NC(=O)Nc2nccc(Br)c2C)CC1 ZINC000563550211 564196415 /nfs/dbraw/zinc/19/64/15/564196415.db2.gz LDXDOTZHXUPWGW-UHFFFAOYSA-N 1 0 398.349 2.690 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)NCc1ccc(C[S@](C)=O)cc1)c1cccs1 ZINC000506159086 564197122 /nfs/dbraw/zinc/19/71/22/564197122.db2.gz FBAUDGLXFCHBFH-LMKMVOKYSA-N 1 0 379.551 2.729 20 0 GFADRO C[N@@H+]1CC[C@H]2CCN(C(=O)c3ccc(-n4cc(Br)cn4)cc3)[C@@H]2C1 ZINC000538714000 564198110 /nfs/dbraw/zinc/19/81/10/564198110.db2.gz FZCFMTIICNWGKT-SUMWQHHRSA-N 1 0 389.297 2.801 20 0 GFADRO CC(C)[NH2+]CCCNC(=O)N1CCN(c2cccc(Br)c2)CC1 ZINC000563598129 564199335 /nfs/dbraw/zinc/19/93/35/564199335.db2.gz QZNMQISOAKDWMT-UHFFFAOYSA-N 1 0 383.334 2.669 20 0 GFADRO CC1(C)[NH2+]CC[C@@H]1NC(=O)c1cc(I)ccc1Cl ZINC000449757838 564201041 /nfs/dbraw/zinc/20/10/41/564201041.db2.gz YPHOPVQBQNPDMA-NSHDSACASA-N 1 0 378.641 2.815 20 0 GFADRO C[C@H](CNC(=O)[C@H]1Cc2cc(Br)ccc2O1)[N@@H+]1CCC[C@@H](C)C1 ZINC000471758220 564204147 /nfs/dbraw/zinc/20/41/47/564204147.db2.gz TWBCFXOKJRPOMO-PBFPGSCMSA-N 1 0 381.314 2.989 20 0 GFADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)c1c(Cl)cc(F)cc1Br ZINC000449847474 564205432 /nfs/dbraw/zinc/20/54/32/564205432.db2.gz GDJAKYKRWZCXRR-SNVBAGLBSA-N 1 0 392.700 2.607 20 0 GFADRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)c2c(Br)cnn2C)C1 ZINC000449862015 564206879 /nfs/dbraw/zinc/20/68/79/564206879.db2.gz URJSTZFQFHWKJG-KBPBESRZSA-N 1 0 383.334 2.909 20 0 GFADRO O=C(CNC(=O)c1ccc(Cl)c(Cl)c1)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000563812211 564207803 /nfs/dbraw/zinc/20/78/03/564207803.db2.gz YJLDTTFNGOGRTJ-ZIAGYGMSSA-N 1 0 384.307 2.571 20 0 GFADRO O=C(NCC[N@H+]1CC=CCC1)c1cn(-c2ccc(Br)cc2)cn1 ZINC000506768841 564211999 /nfs/dbraw/zinc/21/19/99/564211999.db2.gz WWWIRVJRFWNZAH-UHFFFAOYSA-N 1 0 375.270 2.627 20 0 GFADRO O=C(Cc1cccc(I)c1)N1CC[NH+](C2CCC2)CC1 ZINC000472065211 564212000 /nfs/dbraw/zinc/21/20/00/564212000.db2.gz VRYMRRSFPRCNJZ-UHFFFAOYSA-N 1 0 384.261 2.530 20 0 GFADRO Cc1ccc(Br)cc1CC(=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000450027784 564213315 /nfs/dbraw/zinc/21/33/15/564213315.db2.gz MCGQYTDDUIXCEO-HNNXBMFYSA-N 1 0 397.357 2.851 20 0 GFADRO CN(C)C(=O)[C@@H]1CCCN1CCC[NH2+][C@H]1CCc2c1cccc2Br ZINC000539202401 564213317 /nfs/dbraw/zinc/21/33/17/564213317.db2.gz HVDWVQHYAAFEDF-ROUUACIJSA-N 1 0 394.357 2.969 20 0 GFADRO Cc1ccc(CC(=O)N(C)CC2CC[NH+](C[C@@H](C)O)CC2)c(Br)c1 ZINC000450025137 564213497 /nfs/dbraw/zinc/21/34/97/564213497.db2.gz FYPKJKZMIXWHGF-OAHLLOKOSA-N 1 0 397.357 2.851 20 0 GFADRO CC[NH+](CC)[C@@H]1CCN(C(=O)c2cccnc2-n2cc(Br)cn2)C1 ZINC000450041295 564214478 /nfs/dbraw/zinc/21/44/78/564214478.db2.gz RGKVGAIBJYWULV-CQSZACIVSA-N 1 0 392.301 2.586 20 0 GFADRO COC(=O)CCNC(=O)C[NH2+][C@@H](c1ccc(Br)cc1)C1CCC1 ZINC000539276813 564215950 /nfs/dbraw/zinc/21/59/50/564215950.db2.gz NTEDZWOMIUACFA-QGZVFWFLSA-N 1 0 383.286 2.559 20 0 GFADRO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)Cc1cccc(I)c1 ZINC000472252597 564218198 /nfs/dbraw/zinc/21/81/98/564218198.db2.gz URHKXVCDCTZYNZ-HNNXBMFYSA-N 1 0 386.277 2.632 20 0 GFADRO C[C@H](CNC(=O)Nc1ccncc1Br)[N@@H+]1CCc2ccccc2C1 ZINC000507158723 564219859 /nfs/dbraw/zinc/21/98/59/564219859.db2.gz JQZPAKFSJKCDJB-CYBMUJFWSA-N 1 0 389.297 2.834 20 0 GFADRO C[C@H](Cc1ccc(F)cc1Br)[NH2+][C@H]1CCCN(S(C)(=O)=O)C1 ZINC000564108040 564220377 /nfs/dbraw/zinc/22/03/77/564220377.db2.gz JRPHBNPPOMUNMN-RISCZKNCSA-N 1 0 393.322 2.533 20 0 GFADRO CCN(CC)S(=O)(=O)c1ccc(C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)s1 ZINC000539500022 564221497 /nfs/dbraw/zinc/22/14/97/564221497.db2.gz OJNCJAFZHDJBFP-USXIJHARSA-N 1 0 384.567 2.826 20 0 GFADRO CC(C)[NH+]1CCC(O)(CNC(=O)COc2ccc(Cl)cc2Cl)CC1 ZINC000472418828 564222594 /nfs/dbraw/zinc/22/25/94/564222594.db2.gz JSAYUOSQYHEXRK-UHFFFAOYSA-N 1 0 375.296 2.724 20 0 GFADRO O=S(=O)(c1cc(Cl)ccc1Br)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000564212297 564224761 /nfs/dbraw/zinc/22/47/61/564224761.db2.gz YLHCEJZEZMYCPY-CQSZACIVSA-N 1 0 393.734 2.867 20 0 GFADRO C[C@@H](CNc1cc(Br)cnc1C(N)=O)[N@@H+]1CCc2sccc2C1 ZINC000472493670 564224779 /nfs/dbraw/zinc/22/47/79/564224779.db2.gz DSTKHXJNIIKTEF-JTQLQIEISA-N 1 0 395.326 2.863 20 0 GFADRO CCN1CCN(C(=O)C(=O)Nc2cc(C)c(Br)c(C)c2)[C@H](C)C1 ZINC000507300401 564225412 /nfs/dbraw/zinc/22/54/12/564225412.db2.gz IRSVODSZIKPXAV-CYBMUJFWSA-N 1 0 382.302 2.557 20 0 GFADRO C[NH+](C)CCOCCNC(=O)N1CCC(c2ccc(Br)cc2)CC1 ZINC000507378144 564227146 /nfs/dbraw/zinc/22/71/46/564227146.db2.gz JRWXVJYDGLELQO-UHFFFAOYSA-N 1 0 398.345 2.916 20 0 GFADRO COCCOC[C@H](O)C[N@H+](C)[C@H]1CCSc2ccc(Br)cc21 ZINC000450387678 564230622 /nfs/dbraw/zinc/23/06/22/564230622.db2.gz GZSVJUIUQZAPNK-HIFRSBDPSA-N 1 0 390.343 2.942 20 0 GFADRO C[C@H]([NH2+]CCS(=O)(=O)c1ccc(Br)cc1)[C@@H]1CCCOC1 ZINC000507507585 564230874 /nfs/dbraw/zinc/23/08/74/564230874.db2.gz IGRVRMXIESJVSR-QWHCGFSZSA-N 1 0 376.316 2.628 20 0 GFADRO CS(=O)(=O)C1CCC([NH2+]C[C@@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000564444263 564233385 /nfs/dbraw/zinc/23/33/85/564233385.db2.gz RJQGYUTVMVYMFZ-OTTFEQOBSA-N 1 0 396.336 2.679 20 0 GFADRO OC[C@H](Cc1ccccc1)[NH2+]Cc1cn(-c2ccccc2Br)nn1 ZINC000564417121 564233945 /nfs/dbraw/zinc/23/39/45/564233945.db2.gz QGLRRQUISWAIDH-HNNXBMFYSA-N 1 0 387.281 2.723 20 0 GFADRO C[C@H](CNC(=O)NCc1cc(Cl)sc1Cl)C[NH+]1CCN(C)CC1 ZINC000539966880 564234607 /nfs/dbraw/zinc/23/46/07/564234607.db2.gz GDOHWZYZHYXOQD-LLVKDONJSA-N 1 0 379.357 2.738 20 0 GFADRO Cc1cc(Br)cc(NC(=O)C(=O)N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)c1 ZINC000507651713 564237334 /nfs/dbraw/zinc/23/73/34/564237334.db2.gz XPWUYAPFEJZHGT-BBRMVZONSA-N 1 0 394.313 2.781 20 0 GFADRO Cc1cc(NC(=O)C(=O)N2C[C@H]([NH+]3CCCC3)C[C@H]2C)ccc1Br ZINC000507661996 564237678 /nfs/dbraw/zinc/23/76/78/564237678.db2.gz VSJDQUUSMWTCPU-UKRRQHHQSA-N 1 0 394.313 2.781 20 0 GFADRO CS[C@H]1CN(C(=O)c2ccsc2NC(=O)c2ccco2)C[C@H]1[NH+](C)C ZINC000540126449 564240083 /nfs/dbraw/zinc/24/00/83/564240083.db2.gz WRRIWFYXQRFHRJ-OCCSQVGLSA-N 1 0 379.507 2.711 20 0 GFADRO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CC[C@@H](C)[S@@](C)=O ZINC000540160151 564240958 /nfs/dbraw/zinc/24/09/58/564240958.db2.gz KKPKMPCXZFGWAH-JWCBKOKGSA-N 1 0 375.332 2.913 20 0 GFADRO Cc1nc(Cc2ccccc2)sc1[C@H](C)[NH2+]C[C@H]1CS(=O)(=O)CCO1 ZINC000540153182 564241177 /nfs/dbraw/zinc/24/11/77/564241177.db2.gz JHGFKWLNLRZZMK-BBRMVZONSA-N 1 0 380.535 2.507 20 0 GFADRO CNS(=O)(=O)CCC[NH2+][C@@H](c1ccc(Br)cc1)C1CCC1 ZINC000540375697 564247140 /nfs/dbraw/zinc/24/71/40/564247140.db2.gz IMGUUYCVNFBDEL-OAHLLOKOSA-N 1 0 375.332 2.819 20 0 GFADRO COCCN1CC[C@@H]([NH2+]Cc2ccc(OC(F)F)c(Br)c2)C1 ZINC000507949728 564248666 /nfs/dbraw/zinc/24/86/66/564248666.db2.gz ICZZENYJCYCXES-GFCCVEGCSA-N 1 0 379.245 2.861 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)C1(c2cccc(Br)c2)CC(=O)C1 ZINC000540513859 564250795 /nfs/dbraw/zinc/25/07/95/564250795.db2.gz KJBYMGPYVOEYJC-IAGOWNOFSA-N 1 0 391.309 2.793 20 0 GFADRO CN(C)C(=O)[C@@H]1CCC[C@@H]([NH2+]C[C@@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000564857466 564252982 /nfs/dbraw/zinc/25/29/82/564252982.db2.gz TUPLGAPGPJFGHM-MGPQQGTHSA-N 1 0 389.323 2.970 20 0 GFADRO O[C@@H](C[NH2+]CCC[C@H]1CCOC1)COc1cc(F)cc(Br)c1 ZINC000564859616 564253482 /nfs/dbraw/zinc/25/34/82/564253482.db2.gz HLWAIEWQWIWMQE-WFASDCNBSA-N 1 0 376.266 2.734 20 0 GFADRO CS(=O)(=O)c1ccc(C[NH2+]C[C@H](O)Cc2ccccc2C(F)(F)F)s1 ZINC000564865395 564253589 /nfs/dbraw/zinc/25/35/89/564253589.db2.gz YTJMRYNMHSCDGX-GFCCVEGCSA-N 1 0 393.452 2.864 20 0 GFADRO Cc1cc(COc2ccc(C(=O)N[C@@H](C)[C@H](C)[NH3+])cc2Br)on1 ZINC000564957473 564259348 /nfs/dbraw/zinc/25/93/48/564259348.db2.gz KGSWAYGQELVGTA-QWRGUYRKSA-N 1 0 382.258 2.790 20 0 GFADRO COC(=O)c1ccc(S(=O)(=O)N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)cc1Cl ZINC000473952201 564259507 /nfs/dbraw/zinc/25/95/07/564259507.db2.gz QASXHXKUSLSVJN-CHWSQXEVSA-N 1 0 388.917 2.525 20 0 GFADRO O=S(=O)(c1csc(-c2ccc(Cl)cc2)n1)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000564967066 564260219 /nfs/dbraw/zinc/26/02/19/564260219.db2.gz QVHSPZQXBKMHBL-OLZOCXBDSA-N 1 0 383.926 2.694 20 0 GFADRO C[NH2+]CC1CCN(S(=O)(=O)Cc2cc(Cl)ccc2Br)CC1 ZINC000564958389 564260236 /nfs/dbraw/zinc/26/02/36/564260236.db2.gz IGBLWCUGAPMQFS-UHFFFAOYSA-N 1 0 395.750 2.864 20 0 GFADRO CN(CC[N@H+](C)C1CC1)C(=O)NCc1cc(Br)cc2c1OCC2 ZINC000473997838 564261419 /nfs/dbraw/zinc/26/14/19/564261419.db2.gz BGJMTPYCMMCONG-UHFFFAOYSA-N 1 0 382.302 2.620 20 0 GFADRO CNC(=O)[C@H]1CCC[C@H]1[NH2+]Cc1ncc(Br)cc1Br ZINC000473995919 564261517 /nfs/dbraw/zinc/26/15/17/564261517.db2.gz UUVRYIILVLXWIC-GXSJLCMTSA-N 1 0 391.107 2.611 20 0 GFADRO C[NH+](C)C1(CNC(=O)c2ccc(I)cc2F)CCC1 ZINC000451010500 564262820 /nfs/dbraw/zinc/26/28/20/564262820.db2.gz UVTQSRCOEONDFO-UHFFFAOYSA-N 1 0 376.213 2.644 20 0 GFADRO O=C([C@H]1CCCCC[NH2+]1)N1CCN(Cc2ccc(Br)s2)CC1 ZINC000565030440 564262863 /nfs/dbraw/zinc/26/28/63/564262863.db2.gz NLODITNDBZNVAI-CQSZACIVSA-N 1 0 386.359 2.687 20 0 GFADRO CCC[C@H]([NH2+]C(C)C)C(=O)N(CCO)Cc1ccc(Br)s1 ZINC000508467533 564264126 /nfs/dbraw/zinc/26/41/26/564264126.db2.gz NIQSUAQLJYVFJS-ZDUSSCGKSA-N 1 0 377.348 2.998 20 0 GFADRO Cc1ncsc1CCS(=O)(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000451021725 564264142 /nfs/dbraw/zinc/26/41/42/564264142.db2.gz FCFDWHCROSOSEM-QGZVFWFLSA-N 1 0 379.551 2.751 20 0 GFADRO Cc1cccc(OC[C@@H](O)C[NH2+][C@@H](CO)c2ccc(Br)cc2)c1 ZINC000541053217 564264584 /nfs/dbraw/zinc/26/45/84/564264584.db2.gz HSABLESKMJWIPT-WMZOPIPTSA-N 1 0 380.282 2.820 20 0 GFADRO Cc1c(Br)cccc1S(=O)(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000474105644 564265098 /nfs/dbraw/zinc/26/50/98/564265098.db2.gz LIASUTRPXQRQHP-CQSZACIVSA-N 1 0 387.343 2.864 20 0 GFADRO Nc1c(Br)cc(Br)cc1C[NH2+]CCN1CCCC1=O ZINC000565097812 564265497 /nfs/dbraw/zinc/26/54/97/564265497.db2.gz HEAJDNRRFJMULS-UHFFFAOYSA-N 1 0 391.107 2.506 20 0 GFADRO Cc1cc(CNC(=O)N[C@H]2CC[N@@H+](C3CC3)C2)ccc1I ZINC000541087875 564265731 /nfs/dbraw/zinc/26/57/31/564265731.db2.gz INGCCBFEVMTJHQ-ZDUSSCGKSA-N 1 0 399.276 2.636 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)C(=O)CNC(=O)c2ccc(Br)cc2)C[C@H]1C ZINC000474114639 564266175 /nfs/dbraw/zinc/26/61/75/564266175.db2.gz QRQMHWDPYKAWCU-CJNGLKHVSA-N 1 0 396.329 2.510 20 0 GFADRO CC[NH+](CC)CCOCCNC(=O)C1(c2ccccc2Br)CC1 ZINC000474175593 564268617 /nfs/dbraw/zinc/26/86/17/564268617.db2.gz KTQBBJMVCPVBIC-UHFFFAOYSA-N 1 0 383.330 2.955 20 0 GFADRO C[C@H](CNC(=O)c1cc(I)ccc1F)C[NH+]1CCCC1 ZINC000474216100 564270360 /nfs/dbraw/zinc/27/03/60/564270360.db2.gz VIZFLASIKUVMOV-LLVKDONJSA-N 1 0 390.240 2.892 20 0 GFADRO C[C@@H](CNC(=O)c1cc(I)ccc1F)C[NH+]1CCCC1 ZINC000474216102 564270748 /nfs/dbraw/zinc/27/07/48/564270748.db2.gz VIZFLASIKUVMOV-NSHDSACASA-N 1 0 390.240 2.892 20 0 GFADRO O=S(=O)(c1cccc(Br)c1F)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000541237051 564271005 /nfs/dbraw/zinc/27/10/05/564271005.db2.gz GYFVXQBZZDAYAD-GFCCVEGCSA-N 1 0 391.306 2.837 20 0 GFADRO CCCS(=O)(=O)Nc1cc(Br)ccc1N1CC[N@H+](C)C[C@@H]1C ZINC000451090801 564273108 /nfs/dbraw/zinc/27/31/08/564273108.db2.gz PONCKKYNLVZBLO-LBPRGKRZSA-N 1 0 390.347 2.741 20 0 GFADRO Cc1c(S(=O)(=O)N[C@H](C)C[N@H+](C)C(C)C)cnn1-c1ccc(Cl)cc1 ZINC000565276945 564273747 /nfs/dbraw/zinc/27/37/47/564273747.db2.gz RYAHWTDGBCQTRG-CYBMUJFWSA-N 1 0 384.933 2.841 20 0 GFADRO C[C@]1(C[C@H]2CCC[N@@H+]2Cc2cnc(-c3ccsc3)s2)NC(=O)NC1=O ZINC000565272460 564273852 /nfs/dbraw/zinc/27/38/52/564273852.db2.gz NWVSIKACSFYQMX-SJKOYZFVSA-N 1 0 376.507 2.824 20 0 GFADRO C[C@H](NC(=O)NCCn1cc(Br)cn1)[C@H](c1ccccc1)[NH+](C)C ZINC000508855766 564274725 /nfs/dbraw/zinc/27/47/25/564274725.db2.gz VBROJZVQVIEIEQ-XJKSGUPXSA-N 1 0 394.317 2.636 20 0 GFADRO COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)NCC(C)(C)C[NH+](C)C ZINC000508915169 564276158 /nfs/dbraw/zinc/27/61/58/564276158.db2.gz VCZHDDLUNWIRQI-UHFFFAOYSA-N 1 0 397.324 2.646 20 0 GFADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)S(=O)(=O)C1(C)CC1 ZINC000451108057 564276091 /nfs/dbraw/zinc/27/60/91/564276091.db2.gz RCAQVEAZOLNANF-UHFFFAOYSA-N 1 0 375.332 2.695 20 0 GFADRO CCC[N@H+](C)[C@H](CNC(=O)NC[C@H](O)C(F)(F)F)c1ccc(Cl)cc1 ZINC000509011640 564278467 /nfs/dbraw/zinc/27/84/67/564278467.db2.gz BLYPXKAPGNRTKZ-KGLIPLIRSA-N 1 0 381.826 2.945 20 0 GFADRO CC1(c2cccc(Br)c2)CC[NH+](CC(=O)N2CCOCC2)CC1 ZINC000509055856 564279657 /nfs/dbraw/zinc/27/96/57/564279657.db2.gz MWVKYPWSJSXPAJ-UHFFFAOYSA-N 1 0 381.314 2.661 20 0 GFADRO O=C(N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000565421633 564279994 /nfs/dbraw/zinc/27/99/94/564279994.db2.gz WQACCFMJTJFDBO-SWLSCSKDSA-N 1 0 382.291 2.605 20 0 GFADRO O=C(N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)[C@H]1CC12CC[NH2+]CC2 ZINC000565421627 564280161 /nfs/dbraw/zinc/28/01/61/564280161.db2.gz WQACCFMJTJFDBO-DOMZBBRYSA-N 1 0 382.291 2.605 20 0 GFADRO C[N@H+](CCOc1ccc(Cl)cc1Br)[C@@H]1CCN2CCO[C@H]1C2 ZINC000451143542 564280252 /nfs/dbraw/zinc/28/02/52/564280252.db2.gz JWMKFHIUCMGTSM-ZBFHGGJFSA-N 1 0 389.721 2.886 20 0 GFADRO Cc1ccc(Br)cc1S(=O)(=O)N[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000474574064 564281409 /nfs/dbraw/zinc/28/14/09/564281409.db2.gz HOMJGCJQYYLMOZ-CQSZACIVSA-N 1 0 375.332 2.909 20 0 GFADRO O=C(CC[NH2+]Cc1ccc(Br)cc1C(F)(F)F)N1CCOCC1 ZINC000474600435 564282698 /nfs/dbraw/zinc/28/26/98/564282698.db2.gz NBNFVIAJXASDCC-UHFFFAOYSA-N 1 0 395.219 2.806 20 0 GFADRO CS(=O)(=O)c1ccc(C[NH2+]Cc2ccc(Cl)cc2-n2cncn2)cc1 ZINC000474605457 564283083 /nfs/dbraw/zinc/28/30/83/564283083.db2.gz KSPZPNPWWONUNH-UHFFFAOYSA-N 1 0 376.869 2.614 20 0 GFADRO CN1C(=O)CC[C@@H]1C(=O)N(CCC[NH+](C)C)Cc1ccc(Cl)c(Cl)c1 ZINC000474730661 564287794 /nfs/dbraw/zinc/28/77/94/564287794.db2.gz SLKGXGVTJCQJHV-MRXNPFEDSA-N 1 0 386.323 2.895 20 0 GFADRO Cc1cc(I)ccc1NC(=O)C[NH2+][C@H]1CCOC1(C)C ZINC000451241837 564290336 /nfs/dbraw/zinc/29/03/36/564290336.db2.gz KSXNWIZKWJAJKX-ZDUSSCGKSA-N 1 0 388.249 2.695 20 0 GFADRO CCC[N@H+](C)CC(=O)N(CCc1ccc(Cl)cc1)C[C@H](O)C(F)(F)F ZINC000565747874 564293638 /nfs/dbraw/zinc/29/36/38/564293638.db2.gz UGQDWRJOTGPFDW-HNNXBMFYSA-N 1 0 380.838 2.976 20 0 GFADRO C[N@@H+](CCC(=O)N1CCc2ccccc21)CCn1cc(Br)cn1 ZINC000565739647 564293740 /nfs/dbraw/zinc/29/37/40/564293740.db2.gz IBIJVNOJRVBLQH-UHFFFAOYSA-N 1 0 377.286 2.557 20 0 GFADRO C[C@H](NC(=O)NCCNc1cccc(Br)c1)C1=CC[N@H+](C)CC1 ZINC000541893800 564293772 /nfs/dbraw/zinc/29/37/72/564293772.db2.gz FXHGLXPPCXUKLZ-ZDUSSCGKSA-N 1 0 381.318 2.811 20 0 GFADRO Cc1n[nH]c(CC[NH2+][C@H](C)CCc2ccc(I)cc2)n1 ZINC000474943808 564294926 /nfs/dbraw/zinc/29/49/26/564294926.db2.gz NZPOQMMRMLKBFO-LLVKDONJSA-N 1 0 384.265 2.871 20 0 GFADRO Cc1c(Br)cccc1S(=O)(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000565833437 564297362 /nfs/dbraw/zinc/29/73/62/564297362.db2.gz DARSBMCVICANFI-UONOGXRCSA-N 1 0 387.343 2.768 20 0 GFADRO C[C@@H]1CN(CC(=O)Nc2c(F)cc(F)cc2Br)[C@@H](C)C[N@@H+]1C ZINC000509449449 564300346 /nfs/dbraw/zinc/30/03/46/564300346.db2.gz MTPMNRUFGMPPQS-ZJUUUORDSA-N 1 0 376.245 2.690 20 0 GFADRO C[C@H](CCc1ccc(I)cc1)[NH2+]C[C@@H]1CCCC(=O)N1 ZINC000475209040 564303165 /nfs/dbraw/zinc/30/31/65/564303165.db2.gz CNYCJJPUYSPWOP-DOMZBBRYSA-N 1 0 386.277 2.871 20 0 GFADRO C[N@H+]1C[C@H]2CN(Cc3c(F)ccc(I)c3F)C[C@H]2C1 ZINC000475208358 564303228 /nfs/dbraw/zinc/30/32/28/564303228.db2.gz JBXVKXIGPYEQRX-AOOOYVTPSA-N 1 0 378.204 2.563 20 0 GFADRO C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H](C)Cc1ccc(F)c(Br)c1 ZINC000542166645 564303247 /nfs/dbraw/zinc/30/32/47/564303247.db2.gz RLIOPNIYHHQRJJ-OLZOCXBDSA-N 1 0 387.293 2.604 20 0 GFADRO COC(=O)C(C)(C)CC[NH2+]Cc1ccc(S(C)(=O)=O)c(C(F)(F)F)c1 ZINC000475225952 564304035 /nfs/dbraw/zinc/30/40/35/564304035.db2.gz WIDUOCFEKOKCMQ-UHFFFAOYSA-N 1 0 381.416 2.788 20 0 GFADRO CCOc1cc(C[NH2+]C[C@@H]2COCCO2)cc(Br)c1OC(F)F ZINC000509570796 564304195 /nfs/dbraw/zinc/30/41/95/564304195.db2.gz QRNATVKVTYSVEH-LLVKDONJSA-N 1 0 396.228 2.954 20 0 GFADRO C[C@H](NC(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1)c1ccc(Br)cn1 ZINC000475249333 564304202 /nfs/dbraw/zinc/30/42/02/564304202.db2.gz VSNYZDHRYSJIIY-ZFWWWQNUSA-N 1 0 399.333 2.657 20 0 GFADRO Cc1cc(F)c(Br)cc1NC(=O)C(=O)NCCC[N@@H+](C)C(C)C ZINC000475393179 564306722 /nfs/dbraw/zinc/30/67/22/564306722.db2.gz BQWGAZTYAPLVPA-UHFFFAOYSA-N 1 0 388.281 2.682 20 0 GFADRO COC(=O)[C@@H]1CC[N@H+](C[C@@H](O)COc2ccc(Cl)cc2Cl)C[C@H]1C ZINC000475400969 564307641 /nfs/dbraw/zinc/30/76/41/564307641.db2.gz PSKYWRRVLALSLE-MRVWCRGKSA-N 1 0 376.280 2.864 20 0 GFADRO Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[NH2+]CC1(S(C)(=O)=O)CC1 ZINC000475429979 564308086 /nfs/dbraw/zinc/30/80/86/564308086.db2.gz RMGURPYMADVZFG-UHFFFAOYSA-N 1 0 381.929 2.868 20 0 GFADRO C[C@H](c1ccccc1Br)N(C)C(=O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000566095302 564309793 /nfs/dbraw/zinc/30/97/93/564309793.db2.gz VYEICWCDDAPEMT-OLZOCXBDSA-N 1 0 392.301 2.798 20 0 GFADRO CS[C@@H]1CN(S(=O)(=O)Cc2c(F)cccc2Cl)C[C@@H]1[NH+]1CCCC1 ZINC000451406982 564310128 /nfs/dbraw/zinc/31/01/28/564310128.db2.gz KQKFVIBPKCOWHT-JKSUJKDBSA-N 1 0 392.949 2.821 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)[C@H]1C ZINC000509773321 564312750 /nfs/dbraw/zinc/31/27/50/564312750.db2.gz SSOVKRNSRRQOCG-CZUORRHYSA-N 1 0 394.313 2.781 20 0 GFADRO Cc1ccc(NC(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)[C@@H]2C)c(Br)c1 ZINC000509790095 564313800 /nfs/dbraw/zinc/31/38/00/564313800.db2.gz IOYJHPTZSHUCAF-BBRMVZONSA-N 1 0 394.313 2.781 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)c(C)c1C[N@@H+]1CC[C@](C)(C(N)=O)C1 ZINC000475671625 564315065 /nfs/dbraw/zinc/31/50/65/564315065.db2.gz WTOJUZLXJCIBDY-SFHVURJKSA-N 1 0 391.313 2.949 20 0 GFADRO C[C@@H]1C[N@H+](CCCNS(=O)(=O)C2CCC(C(F)(F)F)CC2)CCCO1 ZINC000451465479 564316406 /nfs/dbraw/zinc/31/64/06/564316406.db2.gz PMCHEDVJADDGID-WLYUNCDWSA-N 1 0 386.480 2.528 20 0 GFADRO C[C@H]([NH3+])C[C@H](C)NC(=O)N[C@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O ZINC000566194106 564316584 /nfs/dbraw/zinc/31/65/84/564316584.db2.gz QTUZBAAYPMZAEC-MJVIPROJSA-N 1 0 387.311 2.914 20 0 GFADRO Cc1cc(Br)ccc1SCC(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000566211012 564316978 /nfs/dbraw/zinc/31/69/78/564316978.db2.gz HFAZOIPYVIURGU-GFCCVEGCSA-N 1 0 379.270 2.963 20 0 GFADRO CCOC(=O)Cc1csc(NC(=O)C[N@H+](C)[C@H]2CC[C@H](SCC)C2)n1 ZINC000542515712 564317215 /nfs/dbraw/zinc/31/72/15/564317215.db2.gz XCLQNEDOMWLMHX-KBPBESRZSA-N 1 0 385.555 2.793 20 0 GFADRO Cc1nc(C(=O)N[C@H]2C[NH2+]CCC2(F)F)nn1-c1c(Cl)cccc1Cl ZINC000566211463 564317243 /nfs/dbraw/zinc/31/72/43/564317243.db2.gz GWEOZYRSYLPEIO-NSHDSACASA-N 1 0 390.221 2.610 20 0 GFADRO Cc1ccc(S(=O)(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1Br ZINC000566224425 564318095 /nfs/dbraw/zinc/31/80/95/564318095.db2.gz ZTMYZQWKJZNOBR-KGLIPLIRSA-N 1 0 387.343 2.768 20 0 GFADRO Cc1ccc(C[C@@H](CO)C[NH2+]C[C@H](O)CC(F)(F)F)cc1Br ZINC000566232231 564318103 /nfs/dbraw/zinc/31/81/03/564318103.db2.gz ZTSYTVDCLWQFEK-CHWSQXEVSA-N 1 0 384.236 2.811 20 0 GFADRO C[C@H]([NH2+]CC(=O)Nc1cccc(I)c1)[C@H]1CCCOC1 ZINC000542576330 564318341 /nfs/dbraw/zinc/31/83/41/564318341.db2.gz FWPSQRDIEXOJES-RYUDHWBXSA-N 1 0 388.249 2.634 20 0 GFADRO CCNC(=O)NC(=O)[C@H](C)[N@@H+](Cc1cccc(Br)c1)CC1CC1 ZINC000475750059 564318438 /nfs/dbraw/zinc/31/84/38/564318438.db2.gz PFWXTQPFPOZJDS-LBPRGKRZSA-N 1 0 382.302 2.895 20 0 GFADRO O[C@H](C[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2)COc1ccc(Br)cc1 ZINC000451503505 564319774 /nfs/dbraw/zinc/31/97/74/564319774.db2.gz QNINMCOTCDYRJF-XLNGHYISSA-N 1 0 382.298 2.736 20 0 GFADRO Cn1ncc(Br)c1C[NH2+][C@H]1CCCN(C(=O)Cc2ccccc2)C1 ZINC000509957802 564320192 /nfs/dbraw/zinc/32/01/92/564320192.db2.gz LVKMELYSMFPDPR-HNNXBMFYSA-N 1 0 391.313 2.506 20 0 GFADRO CCS(=O)(=O)N1CCC(C[NH2+]Cc2cc(F)ccc2Br)CC1 ZINC000542714910 564323240 /nfs/dbraw/zinc/32/32/40/564323240.db2.gz BMPQAJWKKPHKQT-UHFFFAOYSA-N 1 0 393.322 2.740 20 0 GFADRO C[C@@H](Sc1nnnn1CC[NH+](C)C)C(=O)Nc1ccc(Cl)cc1Cl ZINC000510101017 564325734 /nfs/dbraw/zinc/32/57/34/564325734.db2.gz NMRLSTYAKZKQBM-SECBINFHSA-N 1 0 389.312 2.661 20 0 GFADRO Cc1cc(Br)cn2cc(CNC(=O)NCC[N@@H+](C)C(C)C)nc12 ZINC000542769794 564325779 /nfs/dbraw/zinc/32/57/79/564325779.db2.gz PCYNODHZWWYPCD-UHFFFAOYSA-N 1 0 382.306 2.545 20 0 GFADRO CS[C@H]1CN(C(=O)CSc2nc3ccccc3o2)C[C@@H]1[NH+]1CCCC1 ZINC000542772719 564326068 /nfs/dbraw/zinc/32/60/68/564326068.db2.gz BQZQKHLGZZVQMA-HOCLYGCPSA-N 1 0 377.535 2.958 20 0 GFADRO O=C(Nc1cccc(Br)c1)C1CC[NH+](CC[C@H]2CCNC2=O)CC1 ZINC000566414927 564326600 /nfs/dbraw/zinc/32/66/00/564326600.db2.gz UQFXEPAVURAFJT-CYBMUJFWSA-N 1 0 394.313 2.626 20 0 GFADRO O=C(Nc1cncc(Br)c1)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000566429611 564326984 /nfs/dbraw/zinc/32/69/84/564326984.db2.gz XNAIPCRSOCMWAV-HNNXBMFYSA-N 1 0 383.290 2.563 20 0 GFADRO O[C@@H](C[NH2+]Cc1cnn(CC(F)F)c1)COc1cccc(Cl)c1Cl ZINC000510187670 564327170 /nfs/dbraw/zinc/32/71/70/564327170.db2.gz ZGUXOEFGUPGKBR-NSHDSACASA-N 1 0 380.222 2.985 20 0 GFADRO COC(=O)[C@@H](NC(=O)C[N@@H+]1CCC(C)(C)C1)c1ccc(Br)cc1 ZINC000566435081 564327959 /nfs/dbraw/zinc/32/79/59/564327959.db2.gz DUXPYYPBNOANDA-HNNXBMFYSA-N 1 0 383.286 2.511 20 0 GFADRO C[C@H](C(=O)N1CCN(c2ccc(Br)cn2)CC1)[NH+]1CCCCCC1 ZINC000510315328 564330002 /nfs/dbraw/zinc/33/00/02/564330002.db2.gz KLBTVTDKUYGSRE-OAHLLOKOSA-N 1 0 395.345 2.757 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)Nc2ccc(I)cc2F)CC[NH2+]1 ZINC000566504104 564330836 /nfs/dbraw/zinc/33/08/36/564330836.db2.gz ANJUFALCQPZFSR-SCZZXKLOSA-N 1 0 377.201 2.692 20 0 GFADRO COCC[N@@H+]1CCCN(C(=O)CCc2ccc(Br)cc2OC)CC1 ZINC000542952021 564333707 /nfs/dbraw/zinc/33/37/07/564333707.db2.gz PEORAONCDAXLKG-UHFFFAOYSA-N 1 0 399.329 2.571 20 0 GFADRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1S(=O)(=O)c1ccc(Br)c(F)c1 ZINC000510558221 564338679 /nfs/dbraw/zinc/33/86/79/564338679.db2.gz IVIXVYVOKUJFRW-RYUDHWBXSA-N 1 0 391.306 2.836 20 0 GFADRO COc1ccc(C[NH2+][C@@H](Cc2ccc(F)cc2)C(N)=O)cc1Br ZINC000543161307 564340689 /nfs/dbraw/zinc/34/06/89/564340689.db2.gz KPXMHEGNNXUQQX-HNNXBMFYSA-N 1 0 381.245 2.783 20 0 GFADRO NC(=O)[C@H](Cc1ccc(F)cc1)[NH2+]Cc1cc2c(c(Br)c1)OCO2 ZINC000543159822 564340897 /nfs/dbraw/zinc/34/08/97/564340897.db2.gz PUUZYZWHXAQRSZ-AWEZNQCLSA-N 1 0 395.228 2.503 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)C2(c3cccc(Br)c3)CC(=O)C2)CC[N@@H+]1C ZINC000566744630 564340994 /nfs/dbraw/zinc/34/09/94/564340994.db2.gz FKCIXLJULRIWAC-IUODEOHRSA-N 1 0 379.298 2.649 20 0 GFADRO CC[NH+](CC)CCO[C@@H]1CCN(S(=O)(=O)c2ccc(C(F)F)cc2)C1 ZINC000566744872 564341074 /nfs/dbraw/zinc/34/10/74/564341074.db2.gz XLUBNHGWTAUHFX-OAHLLOKOSA-N 1 0 376.469 2.746 20 0 GFADRO CCOc1cc(C[N@H+](C)[C@@H]2COC[C@H]2O)cc(Br)c1OC(F)F ZINC000566764513 564341910 /nfs/dbraw/zinc/34/19/10/564341910.db2.gz MPFIHENIYUUKSA-VXGBXAGGSA-N 1 0 396.228 2.641 20 0 GFADRO CS(=O)(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCc2c1cccc2Br ZINC000510812984 564347667 /nfs/dbraw/zinc/34/76/67/564347667.db2.gz PMJZRZJBROCGIY-BZUAXINKSA-N 1 0 387.343 2.886 20 0 GFADRO COc1cc(Br)c(NC(=O)N(C2CC2)[C@H]2CC[NH2+]C2)cc1OC ZINC000566921027 564349488 /nfs/dbraw/zinc/34/94/88/564349488.db2.gz DYYAWGTUXQPSPJ-NSHDSACASA-N 1 0 384.274 2.825 20 0 GFADRO CC(C)(O)C[NH+]1CCN(C(=O)NCC(F)(F)c2ccc(Cl)cc2)CC1 ZINC000510923868 564350951 /nfs/dbraw/zinc/35/09/51/564350951.db2.gz XLJVUOAYYIWNOM-UHFFFAOYSA-N 1 0 375.847 2.530 20 0 GFADRO CC1(C)[C@H]([NH2+]CCNS(=O)(=O)c2ccc(F)cc2Cl)[C@@H]2CCCO[C@H]21 ZINC000510979531 564352121 /nfs/dbraw/zinc/35/21/21/564352121.db2.gz VOVVJMRSJRSZKB-APHBMKBZSA-N 1 0 390.908 2.551 20 0 GFADRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(Cl)cc1)c1cccc(S(N)(=O)=O)c1 ZINC000510968083 564352137 /nfs/dbraw/zinc/35/21/37/564352137.db2.gz MGOXTWQOHWHXSD-NEPJUHHUSA-N 1 0 381.885 2.665 20 0 GFADRO C[NH+](C)CCN(C(=O)c1ccc(F)cc1I)C1CC1 ZINC000476814393 564353819 /nfs/dbraw/zinc/35/38/19/564353819.db2.gz DEXGQOHSCANBCU-UHFFFAOYSA-N 1 0 376.213 2.597 20 0 GFADRO O=S1(=O)CC[C@H]([NH2+]CCCOC(F)F)c2cc(Br)ccc21 ZINC000511028913 564353796 /nfs/dbraw/zinc/35/37/96/564353796.db2.gz HVZDSEUTRUXFGA-NSHDSACASA-N 1 0 384.242 2.887 20 0 GFADRO CC1(C)C[C@@H]([NH2+]CCNS(=O)(=O)c2ccc(F)cc2Cl)C(C)(C)O1 ZINC000511054075 564355093 /nfs/dbraw/zinc/35/50/93/564355093.db2.gz IFKFPPKBWZNSGE-CQSZACIVSA-N 1 0 378.897 2.693 20 0 GFADRO C[C@H]([NH2+]C[C@@H]1CCCCN1S(=O)(=O)N(C)C)c1cnc2ccsc2c1 ZINC000567115850 564358291 /nfs/dbraw/zinc/35/82/91/564358291.db2.gz IZILBEZSTFOJQC-ZFWWWQNUSA-N 1 0 382.555 2.608 20 0 GFADRO COc1cc(Br)c(CN2C[C@H](C[NH3+])C3(C2)CCOCC3)c(OC)c1 ZINC000567166922 564360026 /nfs/dbraw/zinc/36/00/26/564360026.db2.gz XLDIXGQBYRQRLS-ZDUSSCGKSA-N 1 0 399.329 2.654 20 0 GFADRO COC(=O)c1cc(Cl)ccc1S(=O)(=O)NC(C)(C)CCC[NH+](C)C ZINC000451897779 564363483 /nfs/dbraw/zinc/36/34/83/564363483.db2.gz WPMNWOXPZYWCNY-UHFFFAOYSA-N 1 0 376.906 2.525 20 0 GFADRO OCC[C@H]([NH2+]C[C@H](O)COc1ccccc1)c1ccccc1Br ZINC000543810900 564364583 /nfs/dbraw/zinc/36/45/83/564364583.db2.gz MCLLISQQVMUFLO-KSSFIOAISA-N 1 0 380.282 2.902 20 0 GFADRO OCC[C@@H]([NH2+]C[C@@H](O)COc1ccccc1)c1ccccc1Br ZINC000543810901 564364808 /nfs/dbraw/zinc/36/48/08/564364808.db2.gz MCLLISQQVMUFLO-RDTXWAMCSA-N 1 0 380.282 2.902 20 0 GFADRO CC1CC[NH+](CC(=O)NCc2noc(-c3cccc(Br)c3)n2)CC1 ZINC000477126920 564365575 /nfs/dbraw/zinc/36/55/75/564365575.db2.gz MBBPPXYEQWXDAF-UHFFFAOYSA-N 1 0 393.285 2.847 20 0 GFADRO O[C@H](COc1c(Cl)cccc1Cl)C[N@@H+]1CC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000451918767 564366418 /nfs/dbraw/zinc/36/64/18/564366418.db2.gz YXBOKROFWNEWOH-BHDSKKPTSA-N 1 0 388.213 2.978 20 0 GFADRO CSCC[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)N[C@@H](C)CC[NH3+] ZINC000477191987 564368810 /nfs/dbraw/zinc/36/88/10/564368810.db2.gz UGVVQBDLJLHRFY-IINYFYTJSA-N 1 0 392.352 2.698 20 0 GFADRO CSCC[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)N[C@H](C)CC[NH3+] ZINC000477191990 564369017 /nfs/dbraw/zinc/36/90/17/564369017.db2.gz UGVVQBDLJLHRFY-QMTHXVAHSA-N 1 0 392.352 2.698 20 0 GFADRO CC[NH+](CC)C[C@@H](C)NC(=O)c1ccc(F)c(I)c1 ZINC000477219939 564369520 /nfs/dbraw/zinc/36/95/20/564369520.db2.gz VQOUVPVLOPBKKO-SNVBAGLBSA-N 1 0 378.229 2.890 20 0 GFADRO CCCC[N@H+](C)CCNC(=O)c1ccc(OC)c(I)c1 ZINC000477232964 564369756 /nfs/dbraw/zinc/36/97/56/564369756.db2.gz KLSVZVJGZKFFKQ-UHFFFAOYSA-N 1 0 390.265 2.762 20 0 GFADRO CC[NH+](CC)C[C@@H](C)NC(=O)c1ccc(OC)c(I)c1 ZINC000477212892 564369930 /nfs/dbraw/zinc/36/99/30/564369930.db2.gz DJVVPURHPRNPJD-LLVKDONJSA-N 1 0 390.265 2.760 20 0 GFADRO Cc1ccc(NC(=O)CC[NH2+][C@@](C)(CO)c2ccc(Br)cc2)nc1 ZINC000511560761 564375180 /nfs/dbraw/zinc/37/51/80/564375180.db2.gz GLFVYSPGAGPHKC-SFHVURJKSA-N 1 0 392.297 2.978 20 0 GFADRO C[C@@](CO)([NH2+]C[C@H](O)COc1ccccc1)c1ccc(Br)cc1 ZINC000511558367 564375796 /nfs/dbraw/zinc/37/57/96/564375796.db2.gz WZKXUVCVIYRZIT-WMZOPIPTSA-N 1 0 380.282 2.686 20 0 GFADRO C[C@@H]1CC[N@H+](CCNS(=O)(=O)c2cccc(Cl)c2Br)C1 ZINC000567542135 564376426 /nfs/dbraw/zinc/37/64/26/564376426.db2.gz XJMGGWZSHAAQFW-SNVBAGLBSA-N 1 0 381.723 2.723 20 0 GFADRO O=S(=O)(CCc1cccs1)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000477601162 564381098 /nfs/dbraw/zinc/38/10/98/564381098.db2.gz LGGWDTFEJHJCOB-UHFFFAOYSA-N 1 0 388.624 2.962 20 0 GFADRO CN(C)Cc1cnc(C[NH2+]C[C@@H](CO)Cc2cccc(Br)c2)s1 ZINC000511783414 564382475 /nfs/dbraw/zinc/38/24/75/564382475.db2.gz CLNLOYXATXITEY-AWEZNQCLSA-N 1 0 398.370 2.908 20 0 GFADRO COC(=O)CNC(=O)CC[NH2+]C1(c2cccc(Br)c2)CCCCC1 ZINC000477637492 564382986 /nfs/dbraw/zinc/38/29/86/564382986.db2.gz ZEJXJKILQVNFRH-UHFFFAOYSA-N 1 0 397.313 2.877 20 0 GFADRO O[C@H](C[NH2+]CC1(CF)CCOCC1)COc1cccc(Br)c1 ZINC000567696852 564383632 /nfs/dbraw/zinc/38/36/32/564383632.db2.gz JFLZUNNHEVKDIR-CQSZACIVSA-N 1 0 376.266 2.545 20 0 GFADRO CS[C@@H]1CN(C(=O)Cc2nc(-c3ccc(F)cc3)cs2)C[C@H]1[NH+](C)C ZINC000477712469 564384973 /nfs/dbraw/zinc/38/49/73/564384973.db2.gz MQUWCTKBLBODAR-HZPDHXFCSA-N 1 0 379.526 2.996 20 0 GFADRO NS(=O)(=O)[C@H]1CCC[N@H+](CCCCOc2ccccc2C(F)(F)F)C1 ZINC000544400797 564385021 /nfs/dbraw/zinc/38/50/21/564385021.db2.gz MKTCDWLJXVNJDO-ZDUSSCGKSA-N 1 0 380.432 2.617 20 0 GFADRO COC[C@@H]1CCCC[N@@H+]1C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000452038584 564386095 /nfs/dbraw/zinc/38/60/95/564386095.db2.gz MXOHLGLTMRJURD-GJZGRUSLSA-N 1 0 376.266 2.829 20 0 GFADRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NCc1ncc(I)s1 ZINC000512117532 564392222 /nfs/dbraw/zinc/39/22/22/564392222.db2.gz WYLOTXMHZQPUDJ-WDEREUQCSA-N 1 0 379.311 2.958 20 0 GFADRO CC(C)[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2c(F)cccc2OC(F)(F)F)C1 ZINC000452105377 564392659 /nfs/dbraw/zinc/39/26/59/564392659.db2.gz NYUDOCWBKZWXJF-LLVKDONJSA-N 1 0 384.395 2.828 20 0 GFADRO C[C@H](NC(=O)N[C@H]1CCN(c2cccc(Br)c2)C1)[C@@H]1CCC[NH2+]C1 ZINC000567871719 564393905 /nfs/dbraw/zinc/39/39/05/564393905.db2.gz JKDUTPJVXHLQEH-LZWOXQAQSA-N 1 0 395.345 2.715 20 0 GFADRO CCOc1cc(CN2CCO[C@H](C[NH3+])C2)cc(Br)c1OC(F)F ZINC000478053354 564394140 /nfs/dbraw/zinc/39/41/40/564394140.db2.gz LTCISYQMARPFQE-LLVKDONJSA-N 1 0 395.244 2.609 20 0 GFADRO COC(=O)c1c(NC(=O)C[NH2+][C@@H]2CSC[C@@H]2C)sc2c1CC[C@@H](C)C2 ZINC000512209453 564395186 /nfs/dbraw/zinc/39/51/86/564395186.db2.gz BJCWQNZPSGGBHO-NTZNESFSSA-N 1 0 382.551 2.939 20 0 GFADRO CCC[C@@]1([NH2+]CC(=O)Nc2ccc(I)cc2)CCOC1 ZINC000512265005 564395653 /nfs/dbraw/zinc/39/56/53/564395653.db2.gz XFNDUUUDLADYLS-OAHLLOKOSA-N 1 0 388.249 2.779 20 0 GFADRO CC(C)(Cc1ccc(Cl)cc1Cl)NC(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000567904437 564395766 /nfs/dbraw/zinc/39/57/66/564395766.db2.gz NQVIQDGNTHQDLN-OAHLLOKOSA-N 1 0 386.323 2.689 20 0 GFADRO C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+]1CC[C@@H](CCCO)C1 ZINC000452134839 564395888 /nfs/dbraw/zinc/39/58/88/564395888.db2.gz VHYWLMGWYMPIMT-HUUCEWRRSA-N 1 0 383.330 2.890 20 0 GFADRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)Cc3cc(Br)ccc3C)[C@H]2C1 ZINC000452141496 564396331 /nfs/dbraw/zinc/39/63/31/564396331.db2.gz TVGAUELVCIBPGT-DLBZAZTESA-N 1 0 381.314 2.622 20 0 GFADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NCc1c(Cl)cccc1Cl ZINC000567924701 564396631 /nfs/dbraw/zinc/39/66/31/564396631.db2.gz PDYGHWMZERXXKA-OLZOCXBDSA-N 1 0 384.307 2.695 20 0 GFADRO CC[NH+]1CCN([C@@H](C)CNC(=O)c2cc(Br)c(C)cc2OC)CC1 ZINC000512333156 564397908 /nfs/dbraw/zinc/39/79/08/564397908.db2.gz FJDDTARBYDNIJB-AWEZNQCLSA-N 1 0 398.345 2.522 20 0 GFADRO CCO[C@@H]1COCC[C@@H]1[NH2+][C@@H](C)CC(=O)Nc1cccc(Br)c1 ZINC000544828408 564399898 /nfs/dbraw/zinc/39/98/98/564399898.db2.gz QJRGJBRPESTNAD-VBNZEHGJSA-N 1 0 385.302 2.950 20 0 GFADRO CC[N@@H+]1CCCC[C@@H]1C(=O)NCCc1cn2cc(Br)cc(C)c2n1 ZINC000544857878 564401905 /nfs/dbraw/zinc/40/19/05/564401905.db2.gz XBYVRQRQVOCVHC-MRXNPFEDSA-N 1 0 393.329 2.938 20 0 GFADRO O=C(CC[N@@H+]1CC[C@H](NC(=O)NC2CC2)C1)Nc1c(Cl)cccc1Cl ZINC000544881163 564403612 /nfs/dbraw/zinc/40/36/12/564403612.db2.gz DEFVVNQEDMHJMK-LBPRGKRZSA-N 1 0 385.295 2.858 20 0 GFADRO CCCc1csc(C[NH2+]C[C@@H]2CCN(S(=O)(=O)c3cccs3)C2)n1 ZINC000512575547 564405943 /nfs/dbraw/zinc/40/59/43/564405943.db2.gz YYZFLMRMFISUQT-ZDUSSCGKSA-N 1 0 385.580 2.958 20 0 GFADRO CN(CCOc1ccc(Br)cc1)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000568233857 564410384 /nfs/dbraw/zinc/41/03/84/564410384.db2.gz KQZRLQAIACZKDR-IIAWOOMASA-N 1 0 396.329 2.857 20 0 GFADRO CC(C)Oc1cc(Br)cc(C(=O)N[C@@H]2CCC[N@H+](CCCO)C2)c1 ZINC000452380283 564411664 /nfs/dbraw/zinc/41/16/64/564411664.db2.gz FRVWDBNFDZKQEJ-MRXNPFEDSA-N 1 0 399.329 2.813 20 0 GFADRO O=S(=O)(NCCC[NH2+][C@H]1CCCSC1)c1ccccc1Br ZINC000512852879 564414010 /nfs/dbraw/zinc/41/40/10/564414010.db2.gz YRIQBWCROMGBBK-LBPRGKRZSA-N 1 0 393.372 2.603 20 0 GFADRO CS(=O)(=O)N[C@@H]1CCCC[C@H]1C[NH2+]Cc1ccc(Br)cc1F ZINC000512869420 564414817 /nfs/dbraw/zinc/41/48/17/564414817.db2.gz RQADKRJIJCZJKL-SWLSCSKDSA-N 1 0 393.322 2.786 20 0 GFADRO COC(=O)C[C@@H]1CC[C@H]([NH2+]CC(=O)Nc2ccc(Br)cc2)[C@H]1C ZINC000478855146 564416431 /nfs/dbraw/zinc/41/64/31/564416431.db2.gz LVTCSQBMCVHTQX-HUBLWGQQSA-N 1 0 383.286 2.955 20 0 GFADRO Brc1cnn(CC[NH2+]Cc2ccc(OC[C@@H]3CCCO3)cc2)c1 ZINC000512977374 564417072 /nfs/dbraw/zinc/41/70/72/564417072.db2.gz KSKVXOCIJSTUAM-KRWDZBQOSA-N 1 0 380.286 2.993 20 0 GFADRO CC[NH+](CC)CCOCCNC(=O)N(C)Cc1cccc(Br)c1 ZINC000545336308 564417859 /nfs/dbraw/zinc/41/78/59/564417859.db2.gz SCFDWUCQUNFTMD-UHFFFAOYSA-N 1 0 386.334 2.949 20 0 GFADRO O=C(NCC[NH+]1CCCC1)C1(c2ccc(Br)cc2)CCOCC1 ZINC000513008602 564417948 /nfs/dbraw/zinc/41/79/48/564417948.db2.gz ICYCLNNDXGRKKQ-UHFFFAOYSA-N 1 0 381.314 2.709 20 0 GFADRO Cc1cccc(C[C@@H](CO)[NH2+]C[C@@H](O)COc2ccc(Br)cc2)c1 ZINC000568511716 564421878 /nfs/dbraw/zinc/42/18/78/564421878.db2.gz SSKHYEFJJFYFIV-ZWKOTPCHSA-N 1 0 394.309 2.690 20 0 GFADRO CCC[NH2+][C@@H](C)C(=O)N[C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000568508725 564422408 /nfs/dbraw/zinc/42/24/08/564422408.db2.gz MCTFREUSNNKXQG-CMPLNLGQSA-N 1 0 378.826 2.837 20 0 GFADRO CCCC[N@H+](C)CCNC(=O)C(=O)Nc1ccc(Br)cc1CC ZINC000479040925 564423240 /nfs/dbraw/zinc/42/32/40/564423240.db2.gz HNLDIMGTYAJXGC-UHFFFAOYSA-N 1 0 384.318 2.798 20 0 GFADRO CC(C)[N@H+](C)CCNC(=O)[C@@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000479061141 564423854 /nfs/dbraw/zinc/42/38/54/564423854.db2.gz CCGUEFSEEMGOIL-DYVFJYSZSA-N 1 0 386.323 2.969 20 0 GFADRO CN1C(=O)C[C@@H](C(=O)NCCCC[NH+](C)C)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000479061087 564424386 /nfs/dbraw/zinc/42/43/86/564424386.db2.gz BUPZQAHVLLQHRW-DYVFJYSZSA-N 1 0 386.323 2.971 20 0 GFADRO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)NC1(C[NH+](C)C)CCC1 ZINC000545489728 564425459 /nfs/dbraw/zinc/42/54/59/564425459.db2.gz IIUYJXJAXDVQMX-ZDUSSCGKSA-N 1 0 390.933 2.516 20 0 GFADRO CN(Cc1ccc(Cl)s1)C(=O)C[NH2+][C@@H]1CCCC[C@H]1N1CCOCC1 ZINC000568588488 564426287 /nfs/dbraw/zinc/42/62/87/564426287.db2.gz HDLSEWKYFAGYLS-HZPDHXFCSA-N 1 0 385.961 2.593 20 0 GFADRO CN1CCN(C(=O)Nc2ccc(Br)c3ccccc23)[C@@H](C[NH3+])C1 ZINC000568605853 564426651 /nfs/dbraw/zinc/42/66/51/564426651.db2.gz AFLKWHWCKIYHLX-LBPRGKRZSA-N 1 0 377.286 2.709 20 0 GFADRO COCC1(CNC(=O)[C@H]2CCc3cc(Br)ccc32)CC[NH2+]CC1 ZINC000568629128 564427835 /nfs/dbraw/zinc/42/78/35/564427835.db2.gz AMFBWZALOFUPLP-INIZCTEOSA-N 1 0 381.314 2.611 20 0 GFADRO COCCC[N@H+](C)CCNC(=O)c1cc(F)c(Br)c(Cl)c1 ZINC000513461008 564430489 /nfs/dbraw/zinc/43/04/89/564430489.db2.gz JGUBWAKWCGAFQW-UHFFFAOYSA-N 1 0 381.673 2.940 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S(=O)(=O)CC[NH2+]C[C@H](C)C(C)C ZINC000568750833 564433075 /nfs/dbraw/zinc/43/30/75/564433075.db2.gz LOKKFKRKSOWKAT-HNNXBMFYSA-N 1 0 375.556 2.526 20 0 GFADRO CC[C@H]1CN(C)CCN1C(=O)c1nn(-c2ccc(F)cc2)cc1Br ZINC000568789644 564433974 /nfs/dbraw/zinc/43/39/74/564433974.db2.gz ISOXOBVFKHUHHO-ZDUSSCGKSA-N 1 0 395.276 2.940 20 0 GFADRO COc1cc(C[NH2+]C[C@@H]2COCCO2)cc(Br)c1OC(F)F ZINC000513632298 564434972 /nfs/dbraw/zinc/43/49/72/564434972.db2.gz OURGCJPPXIUNRD-SNVBAGLBSA-N 1 0 382.201 2.564 20 0 GFADRO COc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C[NH+](C)C)c(Br)c1 ZINC000479328181 564436298 /nfs/dbraw/zinc/43/62/98/564436298.db2.gz XUEBFXZQOLXVHM-LBPRGKRZSA-N 1 0 393.347 2.712 20 0 GFADRO CC[NH+]1CCC(NC(=O)NCc2cc(Br)cc3c2OCC3)CC1 ZINC000545902140 564436507 /nfs/dbraw/zinc/43/65/07/564436507.db2.gz PNDVOWCLCOFZIA-UHFFFAOYSA-N 1 0 382.302 2.668 20 0 GFADRO Cc1cc(C)c(S(N)(=O)=O)cc1[C@@H](C)[NH2+]C[C@@H](c1cccs1)N(C)C ZINC000479364497 564437299 /nfs/dbraw/zinc/43/72/99/564437299.db2.gz SCLPZEQPYOJXCN-ZBFHGGJFSA-N 1 0 381.567 2.966 20 0 GFADRO O=C(Cc1ccc(Cl)s1)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO ZINC000513806299 564439394 /nfs/dbraw/zinc/43/93/94/564439394.db2.gz GXHSAWWDOARKLN-DOTOQJQBSA-N 1 0 378.925 2.943 20 0 GFADRO CCOc1c(Br)cc(C(=O)N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)cc1OC ZINC000452981826 564440400 /nfs/dbraw/zinc/44/04/00/564440400.db2.gz FKSLENWWIGLARS-SMDDNHRTSA-N 1 0 383.286 2.633 20 0 GFADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H](NC(=O)c2ccc(Cl)s2)C(C)C)C1 ZINC000513829327 564440393 /nfs/dbraw/zinc/44/03/93/564440393.db2.gz ADTMOLVZJUGBMJ-XJKSGUPXSA-N 1 0 385.961 2.956 20 0 GFADRO C[C@@H]1[C@H](C)[NH2+]CCN1S(=O)(=O)Cc1ccc(Cl)cc1Br ZINC000568983732 564443527 /nfs/dbraw/zinc/44/35/27/564443527.db2.gz MYRSDNYATOCNIB-VHSXEESVSA-N 1 0 381.723 2.615 20 0 GFADRO CN(C)c1ncc(Br)cc1C(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000546079067 564443525 /nfs/dbraw/zinc/44/35/25/564443525.db2.gz SSULWDUMTNZGBG-UHFFFAOYSA-N 1 0 383.334 2.762 20 0 GFADRO CC(=O)NCCN(Cc1ccc(C)s1)C(=O)c1sccc1C[NH+](C)C ZINC000513994992 564443907 /nfs/dbraw/zinc/44/39/07/564443907.db2.gz RVPOKOIFYFQFLT-UHFFFAOYSA-N 1 0 379.551 2.958 20 0 GFADRO Cc1ccc(C[NH2+]CCN2C(=O)NC3(CCCC3)C2=O)cc1Br ZINC000479616452 564445322 /nfs/dbraw/zinc/44/53/22/564445322.db2.gz UCBSBDMGNXAHQB-UHFFFAOYSA-N 1 0 380.286 2.712 20 0 GFADRO C[C@@H]([NH2+]C[C@@H]1CCS(=O)(=O)C1)c1ccc(F)c(I)c1 ZINC000453081523 564445430 /nfs/dbraw/zinc/44/54/30/564445430.db2.gz ULLQLGLSCSWNGJ-ZJUUUORDSA-N 1 0 397.253 2.516 20 0 GFADRO C[C@@H]([NH2+]C[C@H](C)N1CCOCC1)c1ccc(F)c(I)c1 ZINC000453061074 564445838 /nfs/dbraw/zinc/44/58/38/564445838.db2.gz CTPJEFBCVVELAY-NWDGAFQWSA-N 1 0 392.256 2.802 20 0 GFADRO CSCC[C@H]([NH2+]Cc1cc(Br)cc2c1OCC2)C(=O)N(C)C ZINC000569048239 564446149 /nfs/dbraw/zinc/44/61/49/564446149.db2.gz PRQQITXTAROPCB-AWEZNQCLSA-N 1 0 387.343 2.684 20 0 GFADRO C[C@@H]1CCC[N@H+](CCNC(=O)NCCOc2ccc(Br)cc2)C1 ZINC000514210669 564447423 /nfs/dbraw/zinc/44/74/23/564447423.db2.gz HZPWMYFMVVNBBI-CQSZACIVSA-N 1 0 384.318 2.859 20 0 GFADRO CCOC(=O)[C@H](C)[C@@H](C)[NH2+]CC(=O)N[C@@H](C)c1ccc(Br)cc1 ZINC000514244104 564447835 /nfs/dbraw/zinc/44/78/35/564447835.db2.gz CGXZUBQZBTXITQ-UPJWGTAASA-N 1 0 385.302 2.804 20 0 GFADRO C[NH+]1CCC(Oc2ccc(Cl)cc2NCC(=O)NCC(F)(F)F)CC1 ZINC000453148747 564448437 /nfs/dbraw/zinc/44/84/37/564448437.db2.gz PRPZQFQCNGYVMC-UHFFFAOYSA-N 1 0 379.810 2.903 20 0 GFADRO CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2csc(C)c2)c1 ZINC000453165180 564449183 /nfs/dbraw/zinc/44/91/83/564449183.db2.gz UYLCEUKFPFYMBA-OLZOCXBDSA-N 1 0 381.523 2.642 20 0 GFADRO COC[C@H]([NH2+]CCn1cc(Br)ccc1=O)c1ccc(F)c(F)c1 ZINC000453242723 564450317 /nfs/dbraw/zinc/45/03/17/564450317.db2.gz FSWQAQRHFNBWRM-HNNXBMFYSA-N 1 0 387.224 2.866 20 0 GFADRO C[C@@H](CCCO)C[NH2+][C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000453272152 564452236 /nfs/dbraw/zinc/45/22/36/564452236.db2.gz HRTDAJDHRQTVBK-FZMZJTMJSA-N 1 0 376.316 2.666 20 0 GFADRO CC[C@](C)(C[NH2+][C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1)OC ZINC000453292713 564453087 /nfs/dbraw/zinc/45/30/87/564453087.db2.gz DBSKBRMRCULAJJ-IINYFYTJSA-N 1 0 379.320 2.562 20 0 GFADRO CC[C@@](C)(C[NH2+][C@H](C)c1ccc(Br)c(S(N)(=O)=O)c1)OC ZINC000453292716 564453316 /nfs/dbraw/zinc/45/33/16/564453316.db2.gz DBSKBRMRCULAJJ-YGRLFVJLSA-N 1 0 379.320 2.562 20 0 GFADRO C[C@@]1(C(=O)NCc2cc(Br)ccc2Br)CC[NH2+]C1 ZINC000514668111 564453886 /nfs/dbraw/zinc/45/38/86/564453886.db2.gz UCQDOWKBVLZFJY-CYBMUJFWSA-N 1 0 376.092 2.827 20 0 GFADRO CNC(=O)C[C@@H](C)[NH2+][C@@H]1CCCOc2ccc(I)cc21 ZINC000453343884 564453979 /nfs/dbraw/zinc/45/39/79/564453979.db2.gz CXLATWYFZWAUPQ-ZWNOBZJWSA-N 1 0 388.249 2.619 20 0 GFADRO C[C@H]1C[C@@H]1[N@@H+]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C)C[C@@H](C)C1 ZINC000453442116 564456787 /nfs/dbraw/zinc/45/67/87/564456787.db2.gz FOCXXJODACDNKD-HUBLWGQQSA-N 1 0 393.333 2.739 20 0 GFADRO Cn1c2ccc(Cl)cc2nc1C[NH2+]C[C@@H]1CS(=O)(=O)c2ccccc21 ZINC000514776524 564456976 /nfs/dbraw/zinc/45/69/76/564456976.db2.gz SDRCEEWPEBEISG-GFCCVEGCSA-N 1 0 375.881 2.887 20 0 GFADRO CC[N@H+](C)CCNC(=O)c1ccc2cc(I)ccc2n1 ZINC000479998804 564457179 /nfs/dbraw/zinc/45/71/79/564457179.db2.gz VZINNOMISAKCDQ-UHFFFAOYSA-N 1 0 383.233 2.521 20 0 GFADRO C[C@@H]1CSc2ccc(Br)cc2[C@@H]1[NH2+]CCS(=O)(=O)N(C)C ZINC000569279457 564457219 /nfs/dbraw/zinc/45/72/19/564457219.db2.gz PJNKZIBHZKGJBL-QMTHXVAHSA-N 1 0 393.372 2.713 20 0 GFADRO C[C@@H](Cc1c[nH]cn1)C(=O)N1CCO[C@H](c2cccc(Br)c2)C1 ZINC000514870538 564460906 /nfs/dbraw/zinc/46/09/06/564460906.db2.gz IXOGVNIBWZOYAK-LRDDRELGSA-N 1 0 378.270 2.951 20 0 GFADRO C[C@H](NC(=O)C1CC[NH+]([C@H]2CCSC2)CC1)c1ccc([S@](C)=O)cc1 ZINC000569376586 564460958 /nfs/dbraw/zinc/46/09/58/564460958.db2.gz AQWZGUVLCQSVIJ-LIHGKODYSA-N 1 0 380.579 2.819 20 0 GFADRO COc1cc(C[NH2+]C[C@@H]2CC[C@H](C)O2)cc(I)c1OC ZINC000453634437 564461450 /nfs/dbraw/zinc/46/14/50/564461450.db2.gz SOXNFUNLQACEBQ-JQWIXIFHSA-N 1 0 391.249 2.966 20 0 GFADRO Ic1cnc(N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)nc1 ZINC000546622499 564462223 /nfs/dbraw/zinc/46/22/23/564462223.db2.gz NAVYGUZVLKUSKT-SMDDNHRTSA-N 1 0 384.265 2.534 20 0 GFADRO C[C@@H](CO)CCC[NH2+][C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000480168097 564462525 /nfs/dbraw/zinc/46/25/25/564462525.db2.gz UCMKONBPZLOXBO-BXUZGUMPSA-N 1 0 376.316 2.666 20 0 GFADRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)[C@@H]3C[C@@]34CCc3cc(Br)ccc34)C[C@@H]12 ZINC000514932552 564462765 /nfs/dbraw/zinc/46/27/65/564462765.db2.gz KWSPRWTVSYFUCI-GXVVTTEFSA-N 1 0 375.310 2.849 20 0 GFADRO FC(F)[C@H]1C[NH2+]CCN1Cc1cc2c(cc1Br)OCCCO2 ZINC000569456040 564463636 /nfs/dbraw/zinc/46/36/36/564463636.db2.gz GOEBSDVSLBRFBY-GFCCVEGCSA-N 1 0 377.229 2.649 20 0 GFADRO CCOc1c(Cl)cc(NC(=O)C(=O)NC[C@@H](C)[NH+]2CCCC2)cc1Cl ZINC000546644883 564463587 /nfs/dbraw/zinc/46/35/87/564463587.db2.gz BAQFEANCJXMKLD-LLVKDONJSA-N 1 0 388.295 2.931 20 0 GFADRO C[C@@H](C[NH2+][C@H]1CCS(=O)(=O)c2ccc(Br)cc21)C[C@H](C)O ZINC000480208053 564463992 /nfs/dbraw/zinc/46/39/92/564463992.db2.gz GYRVQALZTFZTLO-SUNKGSAMSA-N 1 0 376.316 2.664 20 0 GFADRO O=S1(=O)CC[C@H]([NH2+]CC2(CCO)CCC2)c2cc(Br)ccc21 ZINC000480213257 564464036 /nfs/dbraw/zinc/46/40/36/564464036.db2.gz JMRHSJKUICAAQB-AWEZNQCLSA-N 1 0 388.327 2.810 20 0 GFADRO C[C@@H]1C[C@@H]([NH2+][C@H]2CCS(=O)(=O)c3ccc(Br)cc32)CN1C1CC1 ZINC000480204552 564464174 /nfs/dbraw/zinc/46/41/74/564464174.db2.gz YVJWXCNCCSHYID-KFNAQCHYSA-N 1 0 399.354 2.882 20 0 GFADRO CC[NH+]1CCC(NS(=O)(=O)c2cc(Br)c(F)cc2C)CC1 ZINC000480214332 564464337 /nfs/dbraw/zinc/46/43/37/564464337.db2.gz ODRAMUCNLJANIC-UHFFFAOYSA-N 1 0 379.295 2.659 20 0 GFADRO C[C@H](Cn1ccnc1)[NH2+][C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000480228114 564465069 /nfs/dbraw/zinc/46/50/69/564465069.db2.gz RLMMFOFDBGIMBO-BXUZGUMPSA-N 1 0 384.299 2.542 20 0 GFADRO Cc1ccccc1[C@H](CN1CCOCC1)[NH2+]CCn1cc(Br)cn1 ZINC000569485337 564466092 /nfs/dbraw/zinc/46/60/92/564466092.db2.gz NVXVNPPNCWGTAR-SFHVURJKSA-N 1 0 393.329 2.617 20 0 GFADRO CCCC[N@H+](C)C[C@H](C)NC(=O)CCNC(=O)c1ccc(Br)cc1 ZINC000569536793 564467600 /nfs/dbraw/zinc/46/76/00/564467600.db2.gz KEVUXUQRWROQBC-AWEZNQCLSA-N 1 0 398.345 2.806 20 0 GFADRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NS(=O)(=O)c1ccc(Br)o1 ZINC000546770061 564467593 /nfs/dbraw/zinc/46/75/93/564467593.db2.gz NURFCCITSWFQND-UTUOFQBUSA-N 1 0 379.320 2.687 20 0 GFADRO CC[NH+]1CCC(N(C)S(=O)(=O)c2ccc(OC)cc2Br)CC1 ZINC000480297034 564467992 /nfs/dbraw/zinc/46/79/92/564467992.db2.gz ZEBHAGHLDHSUAT-UHFFFAOYSA-N 1 0 391.331 2.563 20 0 GFADRO CN(CC(=O)Nc1ccc(Br)cn1)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000515069060 564468139 /nfs/dbraw/zinc/46/81/39/564468139.db2.gz XARZNJWDDMIWHW-UHFFFAOYSA-N 1 0 389.297 2.560 20 0 GFADRO [NH3+][C@H](CCC(=O)NCCS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 ZINC000569567735 564468680 /nfs/dbraw/zinc/46/86/80/564468680.db2.gz YMSBITUITCOPEX-QGZVFWFLSA-N 1 0 380.897 2.710 20 0 GFADRO CC[NH+](CC)CCCN[C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000480334850 564468678 /nfs/dbraw/zinc/46/86/78/564468678.db2.gz NJQQYOXFRDNUOI-HNNXBMFYSA-N 1 0 389.359 2.989 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H](CNC(=O)C2CCN(C(=O)c3ccc(Cl)s3)CC2)C1 ZINC000569595074 564470573 /nfs/dbraw/zinc/47/05/73/564470573.db2.gz IXJLUEOSANVTBK-TZMCWYRMSA-N 1 0 383.945 2.887 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)C(=O)N1CC[N@@H+](C2CC2)C[C@@H](C)C1 ZINC000453771655 564471114 /nfs/dbraw/zinc/47/11/14/564471114.db2.gz NYRWWXPMVHMHBW-GFCCVEGCSA-N 1 0 394.313 2.639 20 0 GFADRO C[C@@H](Oc1cc(Cl)cc(Cl)c1)C(=O)NCCC[N@H+](C)CCN(C)C ZINC000515404373 564478298 /nfs/dbraw/zinc/47/82/98/564478298.db2.gz IJAZOSPQPFSWEE-CYBMUJFWSA-N 1 0 376.328 2.760 20 0 GFADRO COC[C@H](C)OC[C@H](O)C[NH2+][C@H]1CCN(c2ccc(Cl)cc2Cl)C1 ZINC000569837703 564480075 /nfs/dbraw/zinc/48/00/75/564480075.db2.gz VULLKIOZVOOWDK-AEGPPILISA-N 1 0 377.312 2.574 20 0 GFADRO C[C@@H]1[C@@H]([NH2+][C@H]2CCS(=O)(=O)c3ccc(Br)cc32)CCCN1C ZINC000480666405 564481466 /nfs/dbraw/zinc/48/14/66/564481466.db2.gz RURNREHRIMQDJA-UGFHNGPFSA-N 1 0 387.343 2.740 20 0 GFADRO CCOC(=O)c1cc2cc(S(=O)(=O)N[C@@H](C)CC[NH+](C)C)ccc2s1 ZINC000480662472 564481714 /nfs/dbraw/zinc/48/17/14/564481714.db2.gz UHAZIQVXFIBROK-LBPRGKRZSA-N 1 0 384.523 2.697 20 0 GFADRO CCOc1ccc(S(=O)(=O)N[C@H](C)C[NH+](CC)CC)cc1Br ZINC000480696011 564482544 /nfs/dbraw/zinc/48/25/44/564482544.db2.gz VPOZFQMGCVEOMM-GFCCVEGCSA-N 1 0 393.347 2.856 20 0 GFADRO [NH3+][C@@H]1CCCO[C@H]1C1CCN(S(=O)(=O)Cc2cc(Cl)ccc2F)CC1 ZINC000515622797 564484186 /nfs/dbraw/zinc/48/41/86/564484186.db2.gz GDCHDADMGCPLBA-SJORKVTESA-N 1 0 390.908 2.527 20 0 GFADRO C[C@H](C(=O)Nc1ccccc1Br)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000515650017 564484786 /nfs/dbraw/zinc/48/47/86/564484786.db2.gz ZWUBQBTZNZSEKG-VMGRFDJRSA-N 1 0 396.329 2.604 20 0 GFADRO Cc1cc(F)c(Br)cc1S(=O)(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000480741443 564485747 /nfs/dbraw/zinc/48/57/47/564485747.db2.gz ZWOBUBNMHZZHOF-WDEREUQCSA-N 1 0 391.306 2.800 20 0 GFADRO CSc1cccc(NC(=O)CN(C)CCn2cc(Br)cn2)c1 ZINC000515910649 564489570 /nfs/dbraw/zinc/48/95/70/564489570.db2.gz YDWCXIITVXRBLB-UHFFFAOYSA-N 1 0 383.315 2.938 20 0 GFADRO C[C@H](CCC[NH3+])NS(=O)(=O)c1ccc(Br)c(C(F)(F)F)c1 ZINC000570093030 564491620 /nfs/dbraw/zinc/49/16/20/564491620.db2.gz FCQDFFLPCXSHNZ-MRVPVSSYSA-N 1 0 389.237 2.874 20 0 GFADRO Cc1cc(S(=O)(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)c(F)cc1Br ZINC000516063179 564491969 /nfs/dbraw/zinc/49/19/69/564491969.db2.gz PFZRMMGMNBETBX-GHMZBOCLSA-N 1 0 379.295 2.645 20 0 GFADRO O=C(Cc1cccc(I)c1)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000516058473 564492336 /nfs/dbraw/zinc/49/23/36/564492336.db2.gz BQVNASWVNSFLLE-HUUCEWRRSA-N 1 0 398.288 2.682 20 0 GFADRO CO[C@H]1CCN(C(=O)CSc2ccc(Br)cc2C)[C@@H](C[NH3+])C1 ZINC000516174404 564495218 /nfs/dbraw/zinc/49/52/18/564495218.db2.gz FYLLJOJFSOPJSE-KGLIPLIRSA-N 1 0 387.343 2.814 20 0 GFADRO Cc1cc(Br)cn2cc(CNC(=O)C[N@@H+]3CCC(C)(C)C3)nc12 ZINC000570176194 564495221 /nfs/dbraw/zinc/49/52/21/564495221.db2.gz OYGCUACEXBOMFT-UHFFFAOYSA-N 1 0 379.302 2.753 20 0 GFADRO COC(=O)c1csc(S(=O)(=O)N[C@@H](C)[C@H](c2ccccc2)[NH+](C)C)c1 ZINC000480936075 564496746 /nfs/dbraw/zinc/49/67/46/564496746.db2.gz UZTIWCFIGCHZMH-BLLLJJGKSA-N 1 0 382.507 2.504 20 0 GFADRO O[C@H](COC[C@@H]1CCCO1)C[N@@H+]1CC[C@@H](Cc2ccc(Br)cc2)C1 ZINC000570235711 564496931 /nfs/dbraw/zinc/49/69/31/564496931.db2.gz WSOZQBFDJFZVHA-WDSOQIARSA-N 1 0 398.341 2.870 20 0 GFADRO C[C@@H]1CC[N@H+](CCNC(=O)C2(c3cccc(Br)c3)CC(=O)C2)C1 ZINC000516393272 564501423 /nfs/dbraw/zinc/50/14/23/564501423.db2.gz SOQWZAHPGXDMPZ-CYBMUJFWSA-N 1 0 379.298 2.508 20 0 GFADRO OC[C@H](C[NH2+]C[C@H](O)Cc1ccccc1)Cc1ccc(Br)cc1 ZINC000570396931 564503866 /nfs/dbraw/zinc/50/38/66/564503866.db2.gz YIMKOAATMRJBQD-PKOBYXMFSA-N 1 0 378.310 2.793 20 0 GFADRO CC(=O)N[C@@H](C)C1CC[NH+](C[C@@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000481157694 564504971 /nfs/dbraw/zinc/50/49/71/564504971.db2.gz WEKOICJLVUZXDH-BLLLJJGKSA-N 1 0 389.323 2.970 20 0 GFADRO CO[C@@H]1CCN(C(=O)CCSc2ccc(Br)cc2)[C@H](C[NH3+])C1 ZINC000516562651 564505124 /nfs/dbraw/zinc/50/51/24/564505124.db2.gz LJBYYNKCMHQTLB-UONOGXRCSA-N 1 0 387.343 2.896 20 0 GFADRO O=C(NC[C@@H]1CCC[NH2+]1)N(Cc1cccc(Br)c1)C1CCOCC1 ZINC000516555059 564505370 /nfs/dbraw/zinc/50/53/70/564505370.db2.gz OALXJVHJHDRSFG-INIZCTEOSA-N 1 0 396.329 2.892 20 0 GFADRO C[NH+](C)[C@@]1(CNC(=O)C2(c3cccc(Cl)c3)CCOCC2)CCSC1 ZINC000481216809 564505711 /nfs/dbraw/zinc/50/57/11/564505711.db2.gz ATIMVSMQVRQLQF-GOSISDBHSA-N 1 0 382.957 2.942 20 0 GFADRO C[C@@H]1CC[NH2+]C[C@@H]1NS(=O)(=O)Cc1cc(Cl)ccc1Br ZINC000516569832 564505978 /nfs/dbraw/zinc/50/59/78/564505978.db2.gz JTIQQNZRBLZQGL-RNCFNFMXSA-N 1 0 381.723 2.520 20 0 GFADRO Cc1cc(Br)cc2cc(C(=O)NC[C@]3(O)C[NH+]4CCC3CC4)oc21 ZINC000516590137 564505980 /nfs/dbraw/zinc/50/59/80/564505980.db2.gz RFDDFBYPNTXZTO-SFHVURJKSA-N 1 0 393.281 2.690 20 0 GFADRO Cc1ncsc1CCS(=O)(=O)N[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000570480358 564507501 /nfs/dbraw/zinc/50/75/01/564507501.db2.gz ZMDDMXLBHVWGIL-NVXWUHKLSA-N 1 0 379.551 2.749 20 0 GFADRO C[C@@H](c1ccccc1)[C@H](O)C[NH2+]CCNC(=O)c1ccc(Br)cc1 ZINC000570509236 564508959 /nfs/dbraw/zinc/50/89/59/564508959.db2.gz VCDWNIRZMADKQZ-KBXCAEBGSA-N 1 0 391.309 2.933 20 0 GFADRO C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000516651966 564508999 /nfs/dbraw/zinc/50/89/99/564508999.db2.gz MVBQWRASYNULGI-KPZWWZAWSA-N 1 0 384.307 2.714 20 0 GFADRO C[NH+](C)[C@]1(CNC(=O)NCc2cc(Br)cs2)CCSC1 ZINC000481316136 564509935 /nfs/dbraw/zinc/50/99/35/564509935.db2.gz COJVNLHXYNSHTQ-ZDUSSCGKSA-N 1 0 378.361 2.747 20 0 GFADRO Cc1ccc(-c2nc(NC(=O)C(=O)N[C@H](C)CC[NH+](C)C)sc2C)s1 ZINC000570520562 564510174 /nfs/dbraw/zinc/51/01/74/564510174.db2.gz ZCLPTEUHHBHKPP-SNVBAGLBSA-N 1 0 380.539 2.883 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CCCN(S(=O)(=O)Cc2cc(Cl)ccc2Br)C1 ZINC000570514809 564510211 /nfs/dbraw/zinc/51/02/11/564510211.db2.gz WFNNXGQMHDHENY-MNOVXSKESA-N 1 0 395.750 2.992 20 0 GFADRO COCC[N@H+](C)CCNC(=O)N1CC[C@@H](c2cccc(Br)c2)C1 ZINC000454449623 564511098 /nfs/dbraw/zinc/51/10/98/564511098.db2.gz XZPLYINRIKBHOI-OAHLLOKOSA-N 1 0 384.318 2.526 20 0 GFADRO C[NH+](C)CCCCC(=O)NCc1nc(-c2cccc(Br)c2)no1 ZINC000516827940 564513288 /nfs/dbraw/zinc/51/32/88/564513288.db2.gz FIIPRGCJDXGJRC-UHFFFAOYSA-N 1 0 381.274 2.847 20 0 GFADRO COc1cc(S(=O)(=O)N(C)CCC[NH+]2CCCC2)ccc1Br ZINC000570608567 564513663 /nfs/dbraw/zinc/51/36/63/564513663.db2.gz DIQWOUKZRZFHPC-UHFFFAOYSA-N 1 0 391.331 2.564 20 0 GFADRO O=S(=O)(c1cc(Cl)ccc1OC(F)F)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000516860562 564514109 /nfs/dbraw/zinc/51/41/09/564514109.db2.gz TUGZIEKNOOYDJJ-LBPRGKRZSA-N 1 0 380.844 2.800 20 0 GFADRO CCC[N@@H+]1CC[C@@H](CNC(=O)NCc2nc(C)c(Br)s2)C1 ZINC000454575163 564515298 /nfs/dbraw/zinc/51/52/98/564515298.db2.gz HVLBVWCAGKPTBU-NSHDSACASA-N 1 0 375.336 2.745 20 0 GFADRO C[N@@H+]1CC[C@H](CNC(=O)Nc2cc(F)c(I)c(F)c2)C1 ZINC000454659264 564518283 /nfs/dbraw/zinc/51/82/83/564518283.db2.gz LVSVHUSIDLPEBX-MRVPVSSYSA-N 1 0 395.191 2.643 20 0 GFADRO CC(C)(C[NH2+]C[C@@H](O)COC1CCOCC1)c1cccc(Br)c1 ZINC000570795437 564521707 /nfs/dbraw/zinc/52/17/07/564521707.db2.gz SYMCZJBZCVDDHS-MRXNPFEDSA-N 1 0 386.330 2.873 20 0 GFADRO CCOC(=O)C[C@@H]1C[C@H](OC)C[N@@H+]1CCOc1cccc(Br)c1 ZINC000481758774 564522494 /nfs/dbraw/zinc/52/24/94/564522494.db2.gz DQBNMGGJMRZCAJ-HOCLYGCPSA-N 1 0 386.286 2.870 20 0 GFADRO CC[N@H+](C)C[C@@H](O)CN1CCC[C@H]1c1ccc(I)cc1 ZINC000570825010 564523042 /nfs/dbraw/zinc/52/30/42/564523042.db2.gz VDUQUVBASQJTGF-CVEARBPZSA-N 1 0 388.293 2.741 20 0 GFADRO COCCOc1ccc(NC(=O)NC[C@@]2([NH+](C)C)CCSC2)cc1Cl ZINC000481791483 564524402 /nfs/dbraw/zinc/52/44/02/564524402.db2.gz WDNFIFPJJKOXTG-KRWDZBQOSA-N 1 0 387.933 2.924 20 0 GFADRO O[C@H](C[NH2+][C@@H]1C[C@H]2OCCC[C@@H]12)COc1ccc(Cl)cc1Br ZINC000517129634 564525301 /nfs/dbraw/zinc/52/53/01/564525301.db2.gz GEBBMURATWXBAL-FAXLKDOZSA-N 1 0 390.705 2.999 20 0 GFADRO CN(C)CC[N@H+](C)CCCNC(=O)C(C)(C)c1cccc(Br)c1 ZINC000517228691 564527766 /nfs/dbraw/zinc/52/77/66/564527766.db2.gz VZMJWJVSLHHRBW-UHFFFAOYSA-N 1 0 384.362 2.726 20 0 GFADRO COC(=O)c1cc(NC(=O)N2CC[NH+](C3CCC3)CC2)ccc1Br ZINC000548081748 564529906 /nfs/dbraw/zinc/52/99/06/564529906.db2.gz AJSHPSVDOWRYGR-UHFFFAOYSA-N 1 0 396.285 2.938 20 0 GFADRO Brc1cccc(Cc2noc(CN3C[C@H]4CCC[C@@H](C3)[NH2+]4)n2)c1 ZINC000517342928 564531201 /nfs/dbraw/zinc/53/12/01/564531201.db2.gz YJUCXTWURFZIFB-GASCZTMLSA-N 1 0 377.286 2.749 20 0 GFADRO C[C@H]1c2cccc(Br)c2CCN1C(=O)NCC[N@@H+]1CCCOCC1 ZINC000455007154 564531924 /nfs/dbraw/zinc/53/19/24/564531924.db2.gz XPTABDHPFNPZGH-AWEZNQCLSA-N 1 0 396.329 2.800 20 0 GFADRO CCC(C)(C)[NH2+][C@H](C)C(=O)N1CCN(c2ccc(Br)cn2)CC1 ZINC000548122803 564531976 /nfs/dbraw/zinc/53/19/76/564531976.db2.gz GQOOPGFZPWQWNO-CYBMUJFWSA-N 1 0 383.334 2.659 20 0 GFADRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1ccc(I)cn1 ZINC000455007313 564532123 /nfs/dbraw/zinc/53/21/23/564532123.db2.gz YIXWCNSLUSWPIS-RYUDHWBXSA-N 1 0 387.265 2.536 20 0 GFADRO CC[NH+]1CCN(CC(=O)Nc2nnc(-c3c(F)cccc3Cl)s2)CC1 ZINC000548141663 564532978 /nfs/dbraw/zinc/53/29/78/564532978.db2.gz LUENBAUCORPLIE-UHFFFAOYSA-N 1 0 383.880 2.574 20 0 GFADRO O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)N1CCc2sc(Cl)cc2C1 ZINC000571041549 564533492 /nfs/dbraw/zinc/53/34/92/564533492.db2.gz VYEPXNAUXKYBEA-CYBMUJFWSA-N 1 0 383.945 2.970 20 0 GFADRO C[C@@H]1C[C@H]([NH3+])CCN1C(=O)c1ncc(Br)cc1Br ZINC000571042328 564533495 /nfs/dbraw/zinc/53/34/95/564533495.db2.gz YMOZAKTZXAFCKR-VXNVDRBHSA-N 1 0 377.080 2.558 20 0 GFADRO CC[NH2+]CCCNC(=O)CCCOc1ccc(I)cc1 ZINC000571044894 564533600 /nfs/dbraw/zinc/53/36/00/564533600.db2.gz KPZIXTYKVJTCSX-UHFFFAOYSA-N 1 0 390.265 2.566 20 0 GFADRO O=S(=O)(Cc1cccc(F)c1)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000482107549 564534033 /nfs/dbraw/zinc/53/40/33/564534033.db2.gz WTHUQCGANASTHI-UHFFFAOYSA-N 1 0 386.558 2.997 20 0 GFADRO O=S1(=O)CC[C@H]([NH2+]CCCCn2ccnc2)c2cc(Br)ccc21 ZINC000548155761 564534196 /nfs/dbraw/zinc/53/41/96/564534196.db2.gz SJDHBMUXENAGBN-HNNXBMFYSA-N 1 0 398.326 2.934 20 0 GFADRO CC(C)(C[NH3+])NC(=O)c1ccc(I)c(Br)c1 ZINC000571073966 564534629 /nfs/dbraw/zinc/53/46/29/564534629.db2.gz PNYOVLQHOPBFST-UHFFFAOYSA-N 1 0 397.054 2.521 20 0 GFADRO N[C@@](C(=O)N1CC[C@H]([NH+]2CCCC2)C1)(c1cccc(Cl)c1)C(F)(F)F ZINC000548192530 564534731 /nfs/dbraw/zinc/53/47/31/564534731.db2.gz NYYXOACCOKMDCW-GOEBONIOSA-N 1 0 375.822 2.753 20 0 GFADRO C[N@H+](CCCC(=O)NC(N)=O)[C@H]1CCSc2ccc(Br)cc21 ZINC000517526899 564535345 /nfs/dbraw/zinc/53/53/45/564535345.db2.gz LDRRQOLGRTXDGG-LBPRGKRZSA-N 1 0 386.315 2.893 20 0 GFADRO COC(=O)c1cc(NC(=O)N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)ccc1Br ZINC000455081560 564536155 /nfs/dbraw/zinc/53/61/55/564536155.db2.gz WSVBMLZDNCMRLH-PHIMTYICSA-N 1 0 384.274 2.792 20 0 GFADRO COCCOc1ccc(Br)cc1NC(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000455094172 564536874 /nfs/dbraw/zinc/53/68/74/564536874.db2.gz RKBHIAKOHWGNEW-LBPRGKRZSA-N 1 0 386.290 2.548 20 0 GFADRO Cc1cc(I)ccc1NC(=O)C[NH2+][C@](C)(CO)C(C)C ZINC000571128075 564537454 /nfs/dbraw/zinc/53/74/54/564537454.db2.gz GRAFVXFKPACMIC-OAHLLOKOSA-N 1 0 390.265 2.535 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)N1CCC(n2cc(Br)cn2)CC1 ZINC000517596615 564537726 /nfs/dbraw/zinc/53/77/26/564537726.db2.gz WYXQDIPCYXCQSK-CVEARBPZSA-N 1 0 396.333 2.619 20 0 GFADRO CN(C(=O)c1ccc(I)c(F)c1)[C@H]1C[NH+]2CCC1CC2 ZINC000517697114 564538918 /nfs/dbraw/zinc/53/89/18/564538918.db2.gz ISGZCTPBTXJJCX-AWEZNQCLSA-N 1 0 388.224 2.597 20 0 GFADRO CSC1(CNC(=O)C(=O)Nc2cccc(Cl)c2Cl)CC[NH+](C)CC1 ZINC000571213612 564540834 /nfs/dbraw/zinc/54/08/34/564540834.db2.gz PIJNWAVGGIZCFM-UHFFFAOYSA-N 1 0 390.336 2.876 20 0 GFADRO Cc1[nH]c(=O)sc1S(=O)(=O)NCC[NH2+][C@H](C)CCC1CCCCC1 ZINC000482502773 564543546 /nfs/dbraw/zinc/54/35/46/564543546.db2.gz DAOLGHNYWBYMGM-GFCCVEGCSA-N 1 0 375.560 2.774 20 0 GFADRO Cc1nc(CNC(=O)NCCCC[N@@H+](C)C2CC2)sc1Br ZINC000455228360 564544027 /nfs/dbraw/zinc/54/40/27/564544027.db2.gz JJDXUVMUPFXIMO-UHFFFAOYSA-N 1 0 375.336 2.888 20 0 GFADRO C[C@@H](NC(=O)C[N@@H+]1CC[C@@H](C)C1)c1cc2c(cc1Br)OCCO2 ZINC000517959752 564544099 /nfs/dbraw/zinc/54/40/99/564544099.db2.gz LGNZBCJJHKHZAH-VXGBXAGGSA-N 1 0 383.286 2.739 20 0 GFADRO [NH3+][C@@H](Cc1ccccc1)[C@@H](O)CN1CCOc2ccc(Br)cc2C1 ZINC000571284655 564545097 /nfs/dbraw/zinc/54/50/97/564545097.db2.gz JFHRYZOCQRVURG-ROUUACIJSA-N 1 0 391.309 2.574 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)NC[C@@H]2CC[N@@H+](C(C)C)C2)cc1Br ZINC000548274771 564546297 /nfs/dbraw/zinc/54/62/97/564546297.db2.gz PVEWLQASFAIMIF-AWEZNQCLSA-N 1 0 396.329 2.851 20 0 GFADRO Cc1c(Br)ccc(NC(=O)NC[C@@H]2CCC[N@@H+]2CCCO)c1F ZINC000455316353 564548263 /nfs/dbraw/zinc/54/82/63/564548263.db2.gz ZTLBDDBPIPUAAB-LBPRGKRZSA-N 1 0 388.281 2.865 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)N1CCC(O)(C(F)F)CC1)c1ccc(Cl)cc1 ZINC000548326394 564548541 /nfs/dbraw/zinc/54/85/41/564548541.db2.gz IQGHFZGBZPAHOH-AWEZNQCLSA-N 1 0 375.847 2.744 20 0 GFADRO CN(C(=O)CCC[S@](=O)c1ccc(Br)cc1)[C@H](C[NH3+])C1CC1 ZINC000571395291 564549090 /nfs/dbraw/zinc/54/90/90/564549090.db2.gz XRZJQBCZJOGTHI-QRQCRPRQSA-N 1 0 387.343 2.533 20 0 GFADRO C[C@H]1C[C@H]1[N@@H+]1CCN(C(=O)c2cn3ccc(Br)cc3n2)C[C@@H](C)C1 ZINC000571391030 564549474 /nfs/dbraw/zinc/54/94/74/564549474.db2.gz VASIWTZPQQLXDI-HEHGZKQESA-N 1 0 391.313 2.899 20 0 GFADRO CN(C)S(=O)(=O)c1ccc(C[NH2+][C@H](c2ccccc2)[C@@H]2CCOC2)s1 ZINC000571397311 564549562 /nfs/dbraw/zinc/54/95/62/564549562.db2.gz DHUIMZUBRIVKAC-CRAIPNDOSA-N 1 0 380.535 2.866 20 0 GFADRO O=C(CS(=O)(=O)C1CC1)Nc1ccc(SCC[NH+]2CCCCC2)cc1 ZINC000571449384 564551824 /nfs/dbraw/zinc/55/18/24/564551824.db2.gz ROISSLPQJPZPAU-UHFFFAOYSA-N 1 0 382.551 2.780 20 0 GFADRO Cc1ccc(NC(=O)C[NH2+][C@H](C2CC2)[C@@]2(CO)CCCO2)c(Br)c1 ZINC000518405635 564553404 /nfs/dbraw/zinc/55/34/04/564553404.db2.gz JMPUMHWXGRHVJX-MSOLQXFVSA-N 1 0 397.313 2.606 20 0 GFADRO CC1CC[NH+](C[C@H](O)CNC(=O)CCc2ccc(Br)cc2)CC1 ZINC000483194417 564561228 /nfs/dbraw/zinc/56/12/28/564561228.db2.gz IPHHXJIMGBCKJZ-QGZVFWFLSA-N 1 0 383.330 2.591 20 0 GFADRO CC(C)[N@H+](C)CCCNC(=O)[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000518749909 564561526 /nfs/dbraw/zinc/56/15/26/564561526.db2.gz JVGMGENTHCUFTK-MRXNPFEDSA-N 1 0 396.329 2.649 20 0 GFADRO COC1(C[NH+]2CCC(N(CC(F)(F)F)S(C)(=O)=O)CC2)CCCCC1 ZINC000483273877 564562577 /nfs/dbraw/zinc/56/25/77/564562577.db2.gz ZOQLULZNUGRXEY-UHFFFAOYSA-N 1 0 386.480 2.624 20 0 GFADRO CS[C@H]1CN(C(=O)C(=O)c2ccc(Br)cc2)C[C@H]1[NH+]1CCCC1 ZINC000483394701 564566144 /nfs/dbraw/zinc/56/61/44/564566144.db2.gz LLZQUJJHXKUBPZ-CABCVRRESA-N 1 0 397.338 2.670 20 0 GFADRO Cc1ccc(Br)c(S(=O)(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000518978582 564566343 /nfs/dbraw/zinc/56/63/43/564566343.db2.gz ZRNRDMKKRSAZOZ-UONOGXRCSA-N 1 0 387.343 2.768 20 0 GFADRO CC[C@@H]1CN(C(=O)Nc2nc(CC(F)(F)F)cs2)CC[N@@H+]1C[C@H](C)O ZINC000455728255 564566805 /nfs/dbraw/zinc/56/68/05/564566805.db2.gz QXUVMUCRGOYNOB-CMPLNLGQSA-N 1 0 380.436 2.557 20 0 GFADRO C[C@H](CCCO)C[NH2+]C[C@H](O)COc1ccc(Cl)cc1Br ZINC000518979897 564566866 /nfs/dbraw/zinc/56/68/66/564566866.db2.gz VWFSSTQFVAKQDX-YPMHNXCESA-N 1 0 380.710 2.840 20 0 GFADRO Cc1ccc(F)c(Br)c1NC(=O)N1CCC[N@@H+]([C@@H](C)CO)CC1 ZINC000455755014 564569779 /nfs/dbraw/zinc/56/97/79/564569779.db2.gz RGWRFFZHXRYWLP-LBPRGKRZSA-N 1 0 388.281 2.817 20 0 GFADRO C[C@H](CNS(=O)(=O)c1ccc(Br)c(Cl)c1)[NH+]1CCCC1 ZINC000548697081 564570835 /nfs/dbraw/zinc/57/08/35/564570835.db2.gz FRKVVKYDKGHNMT-SNVBAGLBSA-N 1 0 381.723 2.865 20 0 GFADRO C[N@@H+]1CCC[C@H]2CN(C(=O)COc3ccc(F)cc3Br)CC[C@@H]21 ZINC000483606368 564571071 /nfs/dbraw/zinc/57/10/71/564571071.db2.gz YFZZWRALVGJZLE-WFASDCNBSA-N 1 0 385.277 2.910 20 0 GFADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)Nc1cccc(Cl)c1Br ZINC000483607790 564571120 /nfs/dbraw/zinc/57/11/20/564571120.db2.gz POZRFWNRLVXCLU-JTQLQIEISA-N 1 0 390.709 2.888 20 0 GFADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)COc3ccc(F)cc3Br)CC[C@H]21 ZINC000483606364 564571214 /nfs/dbraw/zinc/57/12/14/564571214.db2.gz YFZZWRALVGJZLE-IUODEOHRSA-N 1 0 385.277 2.910 20 0 GFADRO C[N@@H+]1CCC[C@H]2CN(C(=O)COc3ccc(F)cc3Br)CC[C@H]21 ZINC000483606366 564571389 /nfs/dbraw/zinc/57/13/89/564571389.db2.gz YFZZWRALVGJZLE-SWLSCSKDSA-N 1 0 385.277 2.910 20 0 GFADRO CC[N@@H+]1CC[C@@H](CNC(=O)Nc2ccc(Br)c(C(=O)OC)c2)C1 ZINC000548737298 564571970 /nfs/dbraw/zinc/57/19/70/564571970.db2.gz DIQFDCZGVOALBP-NSHDSACASA-N 1 0 384.274 2.699 20 0 GFADRO CO[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)N(C)CCOc1ccc(Br)cc1 ZINC000483692504 564572774 /nfs/dbraw/zinc/57/27/74/564572774.db2.gz MRXXEYTXLZROIV-DLBZAZTESA-N 1 0 399.329 2.834 20 0 GFADRO CN(C)c1cc(NC(=O)NCC2(C)CC[NH+](C)CC2)ncc1Br ZINC000455861758 564575743 /nfs/dbraw/zinc/57/57/43/564575743.db2.gz GXXBJJRZFCIFGB-UHFFFAOYSA-N 1 0 384.322 2.764 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@H](C)Oc1ccccc1Br ZINC000483819402 564575775 /nfs/dbraw/zinc/57/57/75/564575775.db2.gz NILBFJTXKNCGOU-UONOGXRCSA-N 1 0 384.318 3.000 20 0 GFADRO CN(C)c1cc(NC(=O)N2CCC([NH+]3CC=CC3)CC2)ncc1Br ZINC000455860695 564575837 /nfs/dbraw/zinc/57/58/37/564575837.db2.gz FWTNNWPHAVODIT-UHFFFAOYSA-N 1 0 394.317 2.778 20 0 GFADRO C[C@@H]1CN(C(=O)CCc2nc3cc(Cl)ccc3s2)[C@@H](C)C[N@@H+]1CCO ZINC000572011405 564577350 /nfs/dbraw/zinc/57/73/50/564577350.db2.gz BDWYSYARUZRWNT-OLZOCXBDSA-N 1 0 381.929 2.796 20 0 GFADRO CC(C)[C@H](C[NH2+]CCC(=O)Nc1ccc(Br)cc1)N1CCOCC1 ZINC000548832100 564577526 /nfs/dbraw/zinc/57/75/26/564577526.db2.gz CZRMDKCOHSDROL-KRWDZBQOSA-N 1 0 398.345 2.724 20 0 GFADRO CCC[N@H+](Cc1ccc(Br)c2cccnc12)[C@H]1CC(=O)N(C)C1=O ZINC000548924604 564581262 /nfs/dbraw/zinc/58/12/62/564581262.db2.gz LYXJKPITZSJFFV-HNNXBMFYSA-N 1 0 390.281 2.967 20 0 GFADRO CC(C)[C@](C)(CO)[NH2+]Cc1nnnn1-c1ccc(Cl)cc1C(F)(F)F ZINC000519570137 564581430 /nfs/dbraw/zinc/58/14/30/564581430.db2.gz ASVAUMQTYBEFEL-AWEZNQCLSA-N 1 0 377.798 2.831 20 0 GFADRO Cc1nc2cc(Cl)c(NC(=O)C(=O)N3C[C@@H](C)[C@H]([NH+](C)C)C3)cc2s1 ZINC000484109767 564582595 /nfs/dbraw/zinc/58/25/95/564582595.db2.gz XSOMQTBPFFNSHN-YMTOWFKASA-N 1 0 380.901 2.605 20 0 GFADRO Cc1c(Br)cccc1CNC(=O)NC[C@H](O)C[NH+]1CCC(C)CC1 ZINC000572176529 564584191 /nfs/dbraw/zinc/58/41/91/564584191.db2.gz CTVQHIZJYMUNGM-INIZCTEOSA-N 1 0 398.345 2.650 20 0 GFADRO Cc1nc2cc(Cl)c(NC(=O)C(=O)NCC3([NH+](C)C)CCC3)cc2s1 ZINC000484284552 564585946 /nfs/dbraw/zinc/58/59/46/564585946.db2.gz FQEYWDQAARUIOW-UHFFFAOYSA-N 1 0 380.901 2.797 20 0 GFADRO C[C@@H]([NH2+]Cc1ccc(C(N)=O)nc1)c1ccc(I)cc1 ZINC000484298180 564586156 /nfs/dbraw/zinc/58/61/56/564586156.db2.gz WZTVSNJDKKXLSP-SNVBAGLBSA-N 1 0 381.217 2.636 20 0 GFADRO CN1CCN(C(=O)CC[NH2+][C@H]2CCCCc3cc(Br)ccc32)CC1 ZINC000549226087 564589117 /nfs/dbraw/zinc/58/91/17/564589117.db2.gz FXWACRDRFKVUQT-SFHVURJKSA-N 1 0 394.357 2.970 20 0 GFADRO O[C@@H](C[NH2+]Cc1cccc(Br)c1Cl)COC1CCOCC1 ZINC000519759727 564589653 /nfs/dbraw/zinc/58/96/53/564589653.db2.gz LEXWCUVELJPUIU-LBPRGKRZSA-N 1 0 378.694 2.749 20 0 GFADRO COCC[C@H](Cc1cccc(Br)c1)C(=O)NC[C@H](C)C[NH+](C)C ZINC000572370803 564592225 /nfs/dbraw/zinc/59/22/25/564592225.db2.gz ALZSBAAZZDSWAD-GOEBONIOSA-N 1 0 385.346 2.958 20 0 GFADRO CS[C@@H]1CN(CC(=O)NCCc2ccc(Cl)cc2)C[C@@H]1[NH+]1CCCC1 ZINC000484643060 564593781 /nfs/dbraw/zinc/59/37/81/564593781.db2.gz KSUZDLXDPKHVQJ-ZWKOTPCHSA-N 1 0 381.973 2.510 20 0 GFADRO C[C@H](CO)CCC[NH2+]C[C@H](O)COc1ccc(Cl)cc1Br ZINC000572475376 564596186 /nfs/dbraw/zinc/59/61/86/564596186.db2.gz APIYOEGADMQIPC-AAEUAGOBSA-N 1 0 380.710 2.840 20 0 GFADRO CC(=O)N[C@@H](CC(=O)NCCC[C@H]1CCC[NH2+]1)c1ccc(Br)cc1 ZINC000572484179 564596942 /nfs/dbraw/zinc/59/69/42/564596942.db2.gz CUFVKJJRBZTMHC-SJORKVTESA-N 1 0 396.329 2.665 20 0 GFADRO CC[NH+](CC)CCCNC(=O)C(=O)Nc1cccc(Br)c1Cl ZINC000549605045 564600244 /nfs/dbraw/zinc/60/02/44/564600244.db2.gz QSCPSNRNEPJMCK-UHFFFAOYSA-N 1 0 390.709 2.889 20 0 GFADRO CN(C)CC[N@H+](C)CCCNC(=O)[C@@H]1C[C@@H]1c1ccc(Br)cc1 ZINC000572642590 564603067 /nfs/dbraw/zinc/60/30/67/564603067.db2.gz MDEVMBGYRVUETN-IAGOWNOFSA-N 1 0 382.346 2.552 20 0 GFADRO CC(C)(C)NS(=O)(=O)CC[NH2+][C@@H]1CCc2cccc(Br)c2C1 ZINC000549722413 564603248 /nfs/dbraw/zinc/60/32/48/564603248.db2.gz RRBXJCMYJXVDDK-CYBMUJFWSA-N 1 0 389.359 2.614 20 0 GFADRO CN(C)CC[N@H+](C)CCCNC(=O)[C@H]1C[C@@H]1c1ccc(Br)cc1 ZINC000572642592 564603292 /nfs/dbraw/zinc/60/32/92/564603292.db2.gz MDEVMBGYRVUETN-SJORKVTESA-N 1 0 382.346 2.552 20 0 GFADRO CC(C)([NH3+])c1noc(CNC2(c3cccc(Br)c3)CCOCC2)n1 ZINC000520407912 564603441 /nfs/dbraw/zinc/60/34/41/564603441.db2.gz YHBNVKLNTCUZPA-UHFFFAOYSA-N 1 0 395.301 2.821 20 0 GFADRO CC(C)[C@H](O)C(=O)Nc1cc(Br)ccc1N1CC[N@H+](C)C[C@@H]1C ZINC000456375497 564603984 /nfs/dbraw/zinc/60/39/84/564603984.db2.gz QTMAMRCRSFFWLM-LRDDRELGSA-N 1 0 384.318 2.545 20 0 GFADRO C[C@@](C[NH3+])(NC(=O)Nc1ccc(I)cc1F)C1CC1 ZINC000520430766 564604876 /nfs/dbraw/zinc/60/48/76/564604876.db2.gz LPXFNUUXJUJVPH-ZDUSSCGKSA-N 1 0 377.201 2.679 20 0 GFADRO CC(C)N(C)C[C@H](C)[NH2+][C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000572685773 564605267 /nfs/dbraw/zinc/60/52/67/564605267.db2.gz IFWOGBJZKWAMMP-WFASDCNBSA-N 1 0 389.359 2.986 20 0 GFADRO CC1CC[NH+](CCNC(=O)c2ccc(I)c(F)c2)CC1 ZINC000520513732 564606221 /nfs/dbraw/zinc/60/62/21/564606221.db2.gz OVCADJPNFQMJGW-UHFFFAOYSA-N 1 0 390.240 2.892 20 0 GFADRO CC(C)(CO)[C@@H]([NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1)C1CC1 ZINC000550102923 564614568 /nfs/dbraw/zinc/61/45/68/564614568.db2.gz WCHFMRYALXOQJB-ZBFHGGJFSA-N 1 0 390.293 2.715 20 0 GFADRO CC[C@@H](C(=O)Nc1cc(Br)c(=O)n(C)c1)[N@H+](C)Cc1ccccc1 ZINC000550127699 564615243 /nfs/dbraw/zinc/61/52/43/564615243.db2.gz MOJSQYDVFHVZTG-INIZCTEOSA-N 1 0 392.297 2.997 20 0 GFADRO CC[C@H]([NH2+]C[C@@H]1CCCCN1S(=O)(=O)N(C)C)c1ccc(F)cc1F ZINC000572948006 564616662 /nfs/dbraw/zinc/61/66/62/564616662.db2.gz IPTUARHAXJVBKX-YOEHRIQHSA-N 1 0 375.485 2.666 20 0 GFADRO CCOCC(C)(C)[NH2+]CC(=O)Nc1ccccc1I ZINC000550211450 564617036 /nfs/dbraw/zinc/61/70/36/564617036.db2.gz KMFQJDWBXDEDPT-UHFFFAOYSA-N 1 0 376.238 2.634 20 0 GFADRO C[N@H+](CCNC(=O)C(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1)C1CC1 ZINC000485562530 564620405 /nfs/dbraw/zinc/62/04/05/564620405.db2.gz PPPRVCGUVXQQMY-INIZCTEOSA-N 1 0 384.307 2.867 20 0 GFADRO CCOC(=O)C1CCC(O)(C[NH2+]CCOc2ncc(Cl)cc2Cl)CC1 ZINC000573110647 564623313 /nfs/dbraw/zinc/62/33/13/564623313.db2.gz AKBYNBMFPFANPV-UHFFFAOYSA-N 1 0 391.295 2.841 20 0 GFADRO O=C1CN(CCC[NH2+]Cc2csc3c2cccc3Br)CCN1 ZINC000573138744 564624437 /nfs/dbraw/zinc/62/44/37/564624437.db2.gz RVULMWTYERMNNI-UHFFFAOYSA-N 1 0 382.327 2.575 20 0 GFADRO C[NH+](C)CCn1ccc(C(=O)N2CCC[C@@H]2c2ccc(Br)cn2)n1 ZINC000573265780 564630050 /nfs/dbraw/zinc/63/00/50/564630050.db2.gz JXFZTQIGYGQJHE-MRXNPFEDSA-N 1 0 392.301 2.580 20 0 GFADRO CC(C)[N@H+](C)CCNC(=O)C(=O)Nc1cc(Cl)ccc1OC(F)(F)F ZINC000550809912 564631563 /nfs/dbraw/zinc/63/15/63/564631563.db2.gz HGARUWPTCTVCFJ-UHFFFAOYSA-N 1 0 381.782 2.634 20 0 GFADRO O=S(=O)(Cc1cccc(Br)c1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000550829608 564632510 /nfs/dbraw/zinc/63/25/10/564632510.db2.gz YPRHTEFYYMJCOI-INIZCTEOSA-N 1 0 387.343 2.839 20 0 GFADRO Cn1ncc(Br)c1CNc1ccc(OC2CC[NH+](C)CC2)nc1 ZINC000485949771 564632638 /nfs/dbraw/zinc/63/26/38/564632638.db2.gz HMQQSFGISPUSDC-UHFFFAOYSA-N 1 0 380.290 2.663 20 0 GFADRO O=C(NCCCC[NH+]1CCOCC1)N[C@@H]1C[C@@H]1c1cccc(Br)c1 ZINC000521684219 564633819 /nfs/dbraw/zinc/63/38/19/564633819.db2.gz SAZXVTHDACAWKV-IAGOWNOFSA-N 1 0 396.329 2.717 20 0 GFADRO NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)CCCc1ccc(Cl)c(Cl)c1 ZINC000521679685 564634312 /nfs/dbraw/zinc/63/43/12/564634312.db2.gz YEAVYSNBNHLHDG-MRXNPFEDSA-N 1 0 386.323 2.772 20 0 GFADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]Cc1ccccc1-n1cccn1 ZINC000550940323 564634334 /nfs/dbraw/zinc/63/43/34/564634334.db2.gz UFZUNPXDWARSSQ-CQSZACIVSA-N 1 0 387.281 2.975 20 0 GFADRO COCCOC[C@@H](O)C[NH2+]CC1(c2ccc(Br)cc2Cl)CC1 ZINC000573358518 564634695 /nfs/dbraw/zinc/63/46/95/564634695.db2.gz JAWZPOWFYAOPRY-ZDUSSCGKSA-N 1 0 392.721 2.748 20 0 GFADRO CCc1ncc(S(=O)(=O)N2CC[C@H]([N@H+](C)CCc3ccccc3)C2)s1 ZINC000573386441 564635950 /nfs/dbraw/zinc/63/59/50/564635950.db2.gz AGUUHZIPMWCTKE-INIZCTEOSA-N 1 0 379.551 2.643 20 0 GFADRO CCOCC[C@@H](O)C[NH2+][C@H](C)CCc1ccc(I)cc1 ZINC000521864338 564637337 /nfs/dbraw/zinc/63/73/37/564637337.db2.gz XWKDKVFSUMIEFP-CZUORRHYSA-N 1 0 391.293 2.989 20 0 GFADRO Cc1ccsc1CNC(=O)C[NH2+][C@H](C)C1CCN(CC(F)(F)F)CC1 ZINC000573454917 564638768 /nfs/dbraw/zinc/63/87/68/564638768.db2.gz CZHDDJGYCHGHSX-CYBMUJFWSA-N 1 0 377.476 2.925 20 0 GFADRO COc1ccc(C[NH2+][C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)c(F)c1 ZINC000521884069 564638807 /nfs/dbraw/zinc/63/88/07/564638807.db2.gz YPKGGYVJIFDGAE-CQSZACIVSA-N 1 0 384.498 2.839 20 0 GFADRO CN(C(=O)C[NH2+]C[C@H](O)COc1ccc(Br)cc1)C1CCCCC1 ZINC000573478309 564640095 /nfs/dbraw/zinc/64/00/95/564640095.db2.gz OQLHQEVJGLCXKO-INIZCTEOSA-N 1 0 399.329 2.570 20 0 GFADRO O=C1NC2(CCCC2)C(=O)N1CC[NH2+][C@H]1CCc2sc(Br)cc21 ZINC000551175483 564640988 /nfs/dbraw/zinc/64/09/88/564640988.db2.gz KMKLGPUCGJUFDO-NSHDSACASA-N 1 0 398.326 2.952 20 0 GFADRO Cc1ccc(C(=O)N(C)[C@H]2C[NH+]3CCC2CC3)cc1I ZINC000522041496 564642660 /nfs/dbraw/zinc/64/26/60/564642660.db2.gz YAPVNOLTNVHECQ-HNNXBMFYSA-N 1 0 384.261 2.766 20 0 GFADRO C[C@H]1C[N@H+](C)C[C@H]1C(=O)Nc1ccnn1Cc1ccc(Br)cc1 ZINC000486205192 564643489 /nfs/dbraw/zinc/64/34/89/564643489.db2.gz RLYWMDXKBDWJRF-SWLSCSKDSA-N 1 0 377.286 2.830 20 0 GFADRO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)Nc1ccnn1Cc1ccc(Br)cc1 ZINC000486205193 564643862 /nfs/dbraw/zinc/64/38/62/564643862.db2.gz RLYWMDXKBDWJRF-WFASDCNBSA-N 1 0 377.286 2.830 20 0 GFADRO COc1cc(Br)c(CN2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)cc1O ZINC000573576739 564644211 /nfs/dbraw/zinc/64/42/11/564644211.db2.gz WIYVARLHYYPAJJ-QAPCUYQASA-N 1 0 399.329 2.882 20 0 GFADRO Cn1ccnc1Sc1ncc(C(=O)NCCC[C@H]2CCC[NH2+]2)cc1Cl ZINC000573562938 564644224 /nfs/dbraw/zinc/64/42/24/564644224.db2.gz LWBQMIDIOVOSDT-CYBMUJFWSA-N 1 0 379.917 2.882 20 0 GFADRO COC(=O)c1cc(Br)cc(C(=O)NC(C)(C)C[NH+]2CCCC2)c1 ZINC000457071994 564644897 /nfs/dbraw/zinc/64/48/97/564644897.db2.gz JFYYRZCCLFRFHC-UHFFFAOYSA-N 1 0 383.286 2.840 20 0 GFADRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C2(c3cccc(Br)c3)CC(=O)C2)C1 ZINC000457082822 564646495 /nfs/dbraw/zinc/64/64/95/564646495.db2.gz FDSBGQCYARZKSB-MRXNPFEDSA-N 1 0 393.325 2.991 20 0 GFADRO CC(C)N(CC[NH+](C)C)C(=O)[C@@H]1CC(=O)Nc2ccc(Br)cc21 ZINC000486303306 564647895 /nfs/dbraw/zinc/64/78/95/564647895.db2.gz HXIWRSHTGZPQCX-CQSZACIVSA-N 1 0 382.302 2.674 20 0 GFADRO OC[C@]1([C@H]([NH2+]C[C@H](O)COc2c(Cl)cccc2Cl)C2CC2)CCCO1 ZINC000573692776 564650055 /nfs/dbraw/zinc/65/00/55/564650055.db2.gz PQZRQZQXQFCZLT-VHSSKADRSA-N 1 0 390.307 2.643 20 0 GFADRO CN1C(=O)CC[C@H]([NH2+]Cc2cnc(-c3ccc(Br)cc3)s2)C1=O ZINC000573711800 564650355 /nfs/dbraw/zinc/65/03/55/564650355.db2.gz JNWMRADYOXWQOC-ZDUSSCGKSA-N 1 0 394.294 2.810 20 0 GFADRO COC(=O)CN(CCc1ccc(Cl)cc1Cl)C(=O)[C@H]1C[N@H+](C)C[C@@H]1C ZINC000486387712 564650533 /nfs/dbraw/zinc/65/05/33/564650533.db2.gz OUKNFACYHBXXKY-WFASDCNBSA-N 1 0 387.307 2.735 20 0 GFADRO C[C@@H]1C[C@H](NS(=O)(=O)Cc2ccc(Cl)cc2Br)CC[NH2+]1 ZINC000573722782 564651771 /nfs/dbraw/zinc/65/17/71/564651771.db2.gz HEFNEZNSGUAKJU-BXKDBHETSA-N 1 0 381.723 2.662 20 0 GFADRO CCCc1ccc(Cl)c(S(=O)(=O)NC[C@@H](O)C[NH+]2CCC(C)CC2)c1 ZINC000551493533 564651872 /nfs/dbraw/zinc/65/18/72/564651872.db2.gz ZLYVGAZCOJJYFL-MRXNPFEDSA-N 1 0 388.961 2.664 20 0 GFADRO O=C(CC[NH2+][C@@H](CO)Cc1ccccc1)Nc1ccc(Br)cc1 ZINC000573723479 564651939 /nfs/dbraw/zinc/65/19/39/564651939.db2.gz RNQNNYREIUZCID-QGZVFWFLSA-N 1 0 377.282 2.971 20 0 GFADRO CNC(=O)c1cccc(C[NH2+]Cc2cccc(I)c2)c1 ZINC000551534840 564653526 /nfs/dbraw/zinc/65/35/26/564653526.db2.gz PXECIVRCQRGYDI-UHFFFAOYSA-N 1 0 380.229 2.941 20 0 GFADRO COC(=O)c1ccc(C[NH2+]CCNC(=O)c2ccccc2)c(Br)c1 ZINC000551547496 564654435 /nfs/dbraw/zinc/65/44/35/564654435.db2.gz PBTNFRJWNFFABC-UHFFFAOYSA-N 1 0 391.265 2.755 20 0 GFADRO O=C(N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1=O)N[C@H]1CCCC[NH2+]C1 ZINC000573786303 564654490 /nfs/dbraw/zinc/65/44/90/564654490.db2.gz SZMANRHBCXCVQI-GXTWGEPZSA-N 1 0 385.295 2.540 20 0 GFADRO CN(C(=O)c1ccc(NC(=O)c2ccc(Br)o2)cc1)C1CC([NH3+])C1 ZINC000573800854 564654876 /nfs/dbraw/zinc/65/48/76/564654876.db2.gz BKWKCWCTDQTRMQ-UHFFFAOYSA-N 1 0 392.253 2.856 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)Nc2nc3ccsc3s2)CC1=O ZINC000522732537 564655641 /nfs/dbraw/zinc/65/56/41/564655641.db2.gz OJCIPWGTCXWTAN-NEPJUHHUSA-N 1 0 378.523 2.629 20 0 GFADRO CCOc1cc(C[NH2+][C@@H]2CCCS(=O)(=O)C2)ccc1OCC(F)(F)F ZINC000522890924 564658438 /nfs/dbraw/zinc/65/84/38/564658438.db2.gz CIQIBASIJJMQDW-CYBMUJFWSA-N 1 0 381.416 2.693 20 0 GFADRO C[C@H](CNC(=O)N1CC[NH+]2CCC1CC2)Oc1cccc(Br)c1 ZINC000551656340 564658755 /nfs/dbraw/zinc/65/87/55/564658755.db2.gz UMZKNZUNDCCMHZ-CYBMUJFWSA-N 1 0 382.302 2.706 20 0 GFADRO CCNS(=O)(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000522967761 564660570 /nfs/dbraw/zinc/66/05/70/564660570.db2.gz KBPWYPFKTGWIMQ-HIFRSBDPSA-N 1 0 379.448 2.532 20 0 GFADRO C[C@H]1C[C@@H]1[N@@H+]1CCN(C(=O)C(=O)Nc2ccc(Br)cc2)C[C@@H](C)C1 ZINC000551693494 564660598 /nfs/dbraw/zinc/66/05/98/564660598.db2.gz WWYKUZFCTXVHGH-XEZPLFJOSA-N 1 0 394.313 2.576 20 0 GFADRO COCC[C@@H]([NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1)c1ccc(Cl)c(Cl)c1 ZINC000551723126 564661409 /nfs/dbraw/zinc/66/14/09/564661409.db2.gz FGMGFDSSEIDUPK-BLLLJJGKSA-N 1 0 395.352 2.942 20 0 GFADRO Cn1cc(C[NH+]2CCC(c3c(Cl)cccc3Cl)CC2)c(=O)n(C)c1=O ZINC000573961844 564662029 /nfs/dbraw/zinc/66/20/29/564662029.db2.gz JCQVCEQYIDJWQH-UHFFFAOYSA-N 1 0 382.291 2.770 20 0 GFADRO Cc1nc(C(F)(F)F)sc1C(=O)N1CC[C@H](OCC[NH+]2CCCC2)C1 ZINC000486672354 564662063 /nfs/dbraw/zinc/66/20/63/564662063.db2.gz CMXHKLOJVZWVND-LBPRGKRZSA-N 1 0 377.432 2.797 20 0 GFADRO O=C(NCC[NH+]1CCCCC1)c1cn(Cc2ccc(Cl)cc2Cl)nn1 ZINC000457461305 564662688 /nfs/dbraw/zinc/66/26/88/564662688.db2.gz RQLRXRRLJFOZLG-UHFFFAOYSA-N 1 0 382.295 2.849 20 0 GFADRO COc1ccc(S(=O)(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)c(Br)c1 ZINC000573965797 564662900 /nfs/dbraw/zinc/66/29/00/564662900.db2.gz GYSGKQJXMCHYKN-HAQNSBGRSA-N 1 0 391.331 2.501 20 0 GFADRO CN1CC[NH+](CC2(C)CCN(C(=O)COc3ccsc3Cl)CC2)CC1 ZINC000551784328 564663764 /nfs/dbraw/zinc/66/37/64/564663764.db2.gz XAMBBHHGUYQYQW-UHFFFAOYSA-N 1 0 385.961 2.656 20 0 GFADRO C[N@@H+]1CCC[C@H]1CNC(=O)N1CCO[C@H](c2cccc(Br)c2)C1 ZINC000523331155 564665015 /nfs/dbraw/zinc/66/50/15/564665015.db2.gz JESLBQJKHRFUPR-HOTGVXAUSA-N 1 0 382.302 2.626 20 0 GFADRO CC[C@@H](C)[C@H]([NH3+])C(=O)N1C[C@H](C(=O)OC)[C@@H](c2ccc(Br)cc2)C1 ZINC000574042940 564666279 /nfs/dbraw/zinc/66/62/79/564666279.db2.gz VCRUDFQXMLZJDK-FWYOQMDTSA-N 1 0 397.313 2.538 20 0 GFADRO C[NH+](C)C[C@@H]1CCN(C(=O)c2cn(Cc3ccc(Cl)cc3Cl)nn2)C1 ZINC000457594389 564666697 /nfs/dbraw/zinc/66/66/97/564666697.db2.gz ZNUPEFNHDQJFHR-LBPRGKRZSA-N 1 0 382.295 2.657 20 0 GFADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@H](C)Cc1cccc(Br)c1 ZINC000523599769 564670043 /nfs/dbraw/zinc/67/00/43/564670043.db2.gz PBBYPOMGPRTKSV-RHSMWYFYSA-N 1 0 398.345 2.790 20 0 GFADRO C[C@H]1[C@@H](NC(=O)c2cn(Cc3ccc(Cl)cc3Cl)nn2)CCC[N@@H+]1C ZINC000457712709 564670255 /nfs/dbraw/zinc/67/02/55/564670255.db2.gz OTJZIEXLIRLNTH-NHYWBVRUSA-N 1 0 382.295 2.846 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(C(=O)NCCc3c[nH]c4ccc(Br)cc34)C[C@@H]21 ZINC000574166156 564670634 /nfs/dbraw/zinc/67/06/34/564670634.db2.gz WWASPTNSJGGPMH-DYVFJYSZSA-N 1 0 391.313 2.818 20 0 GFADRO C[C@@H](Sc1ccc(Cl)cc1)C(=O)N1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000574392329 564671386 /nfs/dbraw/zinc/67/13/86/564671386.db2.gz OUOTXFYNXCTZIR-IUODEOHRSA-N 1 0 379.917 2.735 20 0 GFADRO CC(C)[N@H+](C)C[C@@H](C)NC(=O)COc1cccc(I)c1 ZINC000574402815 564672696 /nfs/dbraw/zinc/67/26/96/564672696.db2.gz FXIGXLUZUVFPLM-GFCCVEGCSA-N 1 0 390.265 2.515 20 0 GFADRO CCC[C@H](CCO)C[NH2+]CCS(=O)(=O)c1cccc(Br)c1 ZINC000574400780 564672826 /nfs/dbraw/zinc/67/28/26/564672826.db2.gz XQCZGTBRSSVBCN-CYBMUJFWSA-N 1 0 378.332 2.611 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C(=O)N1CC[C@H]([NH3+])C[C@H]1C ZINC000574462802 564675371 /nfs/dbraw/zinc/67/53/71/564675371.db2.gz MAVMRXGFGRDFDJ-RISCZKNCSA-N 1 0 377.286 2.895 20 0 GFADRO O=C(CNCc1ccc(F)cc1Br)NCC[NH+]1CCCCCC1 ZINC000552064902 564675855 /nfs/dbraw/zinc/67/58/55/564675855.db2.gz XOSOOYYCXHTVQD-UHFFFAOYSA-N 1 0 386.309 2.670 20 0 GFADRO C[C@H](Cc1ccc(Br)cc1)NC(=O)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000457867506 564675977 /nfs/dbraw/zinc/67/59/77/564675977.db2.gz HGXSDTUUTDXCFS-RHSMWYFYSA-N 1 0 398.345 2.526 20 0 GFADRO C[C@@H]([NH2+]CCNS(=O)(=O)c1cccc(Cl)c1Cl)C1CCOCC1 ZINC000552088877 564676244 /nfs/dbraw/zinc/67/62/44/564676244.db2.gz VCDRYRSWJGKEOE-LLVKDONJSA-N 1 0 381.325 2.676 20 0 GFADRO O=C(N[C@H](CO)c1cccc(Br)c1)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000487144662 564677122 /nfs/dbraw/zinc/67/71/22/564677122.db2.gz HGDSRAYCMTWTKY-NVXWUHKLSA-N 1 0 396.329 2.799 20 0 GFADRO C[NH+](C)CCn1ccc(C(=O)N[C@H]2C[C@H](c3ccc(Br)cc3)C2)n1 ZINC000574531888 564678022 /nfs/dbraw/zinc/67/80/22/564678022.db2.gz UEHNWHNDGQFZEF-KOMQPUFPSA-N 1 0 391.313 2.883 20 0 GFADRO C[C@H](CNC(=O)[C@H](c1ccc(Br)cc1)N1CCCC1)C[NH+](C)C ZINC000552239849 564682427 /nfs/dbraw/zinc/68/24/27/564682427.db2.gz VTCIVRFSDKTLNT-PBHICJAKSA-N 1 0 382.346 2.900 20 0 GFADRO O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cc(I)c[nH]1 ZINC000524521036 564682470 /nfs/dbraw/zinc/68/24/70/564682470.db2.gz PGKSITACQUFSLY-AWEZNQCLSA-N 1 0 395.244 2.624 20 0 GFADRO CCCN(C)[C@H](CNC(=O)C1CCS(=O)(=O)CC1)c1ccc(Cl)cc1 ZINC000552241850 564682592 /nfs/dbraw/zinc/68/25/92/564682592.db2.gz DLGWYKUUKNBTGD-QGZVFWFLSA-N 1 0 386.945 2.664 20 0 GFADRO Cn1ncc(Br)c1C[NH2+]CC1(CN2CCOCC2)CCCCC1 ZINC000487312455 564682671 /nfs/dbraw/zinc/68/26/71/564682671.db2.gz RWBYTACEZCJHMO-UHFFFAOYSA-N 1 0 385.350 2.555 20 0 GFADRO CCc1nn(C)c(OC)c1C[NH2+]C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000574631132 564682772 /nfs/dbraw/zinc/68/27/72/564682772.db2.gz BQPXDJCMUKQFQR-LLVKDONJSA-N 1 0 388.295 2.827 20 0 GFADRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)NCc1c(Cl)cccc1Cl ZINC000574657183 564683581 /nfs/dbraw/zinc/68/35/81/564683581.db2.gz BVJDUUUINSAINB-CYBMUJFWSA-N 1 0 386.323 2.990 20 0 GFADRO C[C@H]1C[C@H](NC(=O)c2ccc(I)c(F)c2)CC[N@@H+]1C ZINC000524651121 564684374 /nfs/dbraw/zinc/68/43/74/564684374.db2.gz JNRAERAUIKUOGJ-GXSJLCMTSA-N 1 0 376.213 2.643 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)N(CCO)Cc1cccc(Br)c1 ZINC000487375961 564685520 /nfs/dbraw/zinc/68/55/20/564685520.db2.gz KGJSCGHMEXGICL-SJORKVTESA-N 1 0 396.329 2.580 20 0 GFADRO C[C@@H](C[NH2+]Cc1ccc(Br)cc1N1CCOCC1)Cn1cccn1 ZINC000574736882 564686915 /nfs/dbraw/zinc/68/69/15/564686915.db2.gz VRFNSLIFMMDCNI-HNNXBMFYSA-N 1 0 393.329 2.908 20 0 GFADRO C[C@H]1[C@H](C)[N@H+](C)CCN1c1ncnc2ccc(I)cc21 ZINC000552394423 564689653 /nfs/dbraw/zinc/68/96/53/564689653.db2.gz PRMABSHLVKIMPQ-QWRGUYRKSA-N 1 0 382.249 2.763 20 0 GFADRO CC[NH+](CC)CCNC(=O)C(=O)Nc1ccc(-c2ccc(Cl)s2)nc1 ZINC000574997325 564690862 /nfs/dbraw/zinc/69/08/62/564690862.db2.gz QMABFGYILUIMOA-UHFFFAOYSA-N 1 0 380.901 2.860 20 0 GFADRO CC(C)(C[NH2+]C[C@H](O)COc1ccc(Cl)cc1Cl)C1(O)CCOCC1 ZINC000575053169 564691444 /nfs/dbraw/zinc/69/14/44/564691444.db2.gz BCIPUMPIHWJDRV-AWEZNQCLSA-N 1 0 392.323 2.890 20 0 GFADRO C[C@H]([NH3+])C[C@H](C)NC(=O)c1sccc1S(=O)(=O)NC1CCCCCC1 ZINC000575047476 564691677 /nfs/dbraw/zinc/69/16/77/564691677.db2.gz SBQFSMSLEJJWPT-STQMWFEESA-N 1 0 387.571 2.605 20 0 GFADRO [NH3+]C[C@H]1CCCC[C@@]12NC(=O)N(Cc1c(F)cccc1Br)C2=O ZINC000575043699 564691759 /nfs/dbraw/zinc/69/17/59/564691759.db2.gz MHRVEYPQIURPFT-QLJPJBMISA-N 1 0 384.249 2.528 20 0 GFADRO C[C@H]1C[C@H](C)C[NH+](CCCNS(=O)(=O)c2c[nH]c3nccc(Cl)c23)C1 ZINC000487673748 564694133 /nfs/dbraw/zinc/69/41/33/564694133.db2.gz NANYIVDBQHSXKC-STQMWFEESA-N 1 0 384.933 2.863 20 0 GFADRO CCn1c(CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)nc2cc(Br)ccc21 ZINC000487710242 564694880 /nfs/dbraw/zinc/69/48/80/564694880.db2.gz QWPUPZCGWMXWFY-AAEUAGOBSA-N 1 0 379.302 2.633 20 0 GFADRO C[C@H]([NH2+]CCS(=O)(=O)c1cccc(Br)c1)C(C)(C)CN(C)C ZINC000575377384 564697776 /nfs/dbraw/zinc/69/77/76/564697776.db2.gz NOJMTHGLHGEISE-ZDUSSCGKSA-N 1 0 391.375 2.789 20 0 GFADRO C[C@H]1CC[N@H+](CCNC(=O)[C@@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)C1 ZINC000525293062 564698156 /nfs/dbraw/zinc/69/81/56/564698156.db2.gz TYLYPYCABYKMCM-JSGCOSHPSA-N 1 0 384.307 2.804 20 0 GFADRO CC(C)[C@@H]1CN(CC(=O)Nc2c(F)cc(F)cc2Br)CC[N@@H+]1C ZINC000487984191 564701187 /nfs/dbraw/zinc/70/11/87/564701187.db2.gz AUMBMQSUGDHNNW-AWEZNQCLSA-N 1 0 390.272 2.938 20 0 GFADRO C[N@@H+]1CC[C@]2(CCN(C(=O)NCCc3cc(Br)ccc3F)C2)C1 ZINC000488037119 564702559 /nfs/dbraw/zinc/70/25/59/564702559.db2.gz UOAJQYHYNUSNPA-KRWDZBQOSA-N 1 0 384.293 2.868 20 0 GFADRO O=S1(=O)C[C@H](C[NH2+]Cc2sccc2Br)Oc2ccccc21 ZINC000575748470 564703012 /nfs/dbraw/zinc/70/30/12/564703012.db2.gz MQWWDAGFMFJGOJ-JTQLQIEISA-N 1 0 388.308 2.835 20 0 GFADRO C[C@H](CNC(=O)C(=O)N(C)CC[NH+]1CCCC1)c1c(Cl)cccc1Cl ZINC000552863663 564703343 /nfs/dbraw/zinc/70/33/43/564703343.db2.gz CDLROVUNNPNLEU-CYBMUJFWSA-N 1 0 386.323 2.767 20 0 GFADRO COC(=O)C[C@H](NC(=O)C[N@@H+]1CCC(C)(C)C1)c1ccc(Br)cc1 ZINC000552926613 564704397 /nfs/dbraw/zinc/70/43/97/564704397.db2.gz RCSNRAQVKWGMQO-HNNXBMFYSA-N 1 0 397.313 2.901 20 0 GFADRO [NH3+][C@@H](CNC(=O)N1CCC[C@H](Nc2cccc(Br)c2)C1)C1CC1 ZINC000576212152 564707566 /nfs/dbraw/zinc/70/75/66/564707566.db2.gz ATIIRVYGFDWSGZ-HOTGVXAUSA-N 1 0 381.318 2.772 20 0 GFADRO C[NH2+][C@@H]1CCCN(C(=O)[C@H](c2ccc(Br)cc2)N2CCCC2)C1 ZINC000576225560 564708474 /nfs/dbraw/zinc/70/84/74/564708474.db2.gz TUJJKEPLCLLNSD-SJORKVTESA-N 1 0 380.330 2.796 20 0 GFADRO C[C@H]1CC[N@H+](CCNC(=O)[C@@]23CCC(=O)N2c2cc(Cl)ccc2S3)C1 ZINC000525805107 564709015 /nfs/dbraw/zinc/70/90/15/564709015.db2.gz PHPLKTJQPNAPFO-SGTLLEGYSA-N 1 0 379.913 2.727 20 0 GFADRO CC[C@@H](O)[C@H](CC)NC(=O)NCCc1cn2cc(Br)cc(C)c2n1 ZINC000458652386 564709562 /nfs/dbraw/zinc/70/95/62/564709562.db2.gz HUBSNOGANKUNGS-LSDHHAIUSA-N 1 0 397.317 2.796 20 0 GFADRO Cc1cc(Br)cn2cc(CNC(=O)NC[C@H]3CCCC[C@@H]3O)nc12 ZINC000458642263 564709981 /nfs/dbraw/zinc/70/99/81/564709981.db2.gz CWSRALXNYVAPOE-DOMZBBRYSA-N 1 0 395.301 2.756 20 0 GFADRO COC(=O)c1cc(Br)ccc1NC(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000576252054 564710279 /nfs/dbraw/zinc/71/02/79/564710279.db2.gz ITSULMLTARSAHJ-QGZVFWFLSA-N 1 0 396.285 2.843 20 0 GFADRO O=C(CC[NH2+][C@@H]1CCO[C@]2(CCOC2)C1)Nc1ccc(Br)cc1 ZINC000576272505 564711323 /nfs/dbraw/zinc/71/13/23/564711323.db2.gz ZXYWALKBQVNGOO-NVXWUHKLSA-N 1 0 383.286 2.705 20 0 GFADRO COCc1cccc(C[NH2+][C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)c1 ZINC000576455608 564713604 /nfs/dbraw/zinc/71/36/04/564713604.db2.gz WEHBCADBDPXOSK-QGZVFWFLSA-N 1 0 380.535 2.837 20 0 GFADRO CC[N@@H+]1CCN(C(=O)CNC(=O)c2sc3ccccc3c2Cl)[C@@H](C)C1 ZINC000553318324 564715542 /nfs/dbraw/zinc/71/55/42/564715542.db2.gz DVVPFYINRFHTRG-LBPRGKRZSA-N 1 0 379.913 2.837 20 0 GFADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1Cc1cc2c(c(Br)c1)OCO2 ZINC000488687891 564717236 /nfs/dbraw/zinc/71/72/36/564717236.db2.gz GWXGSQSZUJRNIG-ZDUSSCGKSA-N 1 0 397.313 2.863 20 0 GFADRO COCCN(CC[NH+](C)C)C(=O)N[C@@H](C)c1ccc(F)c(Br)c1 ZINC000458864687 564721110 /nfs/dbraw/zinc/72/11/10/564721110.db2.gz ZXJGTKNJYLSASH-LBPRGKRZSA-N 1 0 390.297 2.869 20 0 GFADRO COCCN(CC(F)F)C(=O)NC[C@@H](c1ccc(SC)cc1)[NH+](C)C ZINC000458883976 564721988 /nfs/dbraw/zinc/72/19/88/564721988.db2.gz FUDIABCVJCEDCR-HNNXBMFYSA-N 1 0 375.485 2.934 20 0 GFADRO CSc1ccc([C@@H](CNC(=O)NCC[C@H](O)C(F)(F)F)[NH+](C)C)cc1 ZINC000458902130 564722881 /nfs/dbraw/zinc/72/28/81/564722881.db2.gz SMLGDJCEOFPRAE-KGLIPLIRSA-N 1 0 379.448 2.624 20 0 GFADRO Cc1nc(CNC(=O)N2CCC([NH+]3CCCC3)CC2)sc1Br ZINC000458919024 564723100 /nfs/dbraw/zinc/72/31/00/564723100.db2.gz DRUFKBJNHPTUNS-UHFFFAOYSA-N 1 0 387.347 2.984 20 0 GFADRO C[C@H](NC(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O)c1cc(Cl)ccc1Cl ZINC000488904545 564723613 /nfs/dbraw/zinc/72/36/13/564723613.db2.gz URPAEQZOSVINEE-XHDPSFHLSA-N 1 0 387.311 2.693 20 0 GFADRO O=C(NCCOc1ccc(Cl)c(Cl)c1)NC[C@H](O)C[NH+]1CCCCC1 ZINC000458934173 564724892 /nfs/dbraw/zinc/72/48/92/564724892.db2.gz DKSZNFYYGWZVNE-ZDUSSCGKSA-N 1 0 390.311 2.518 20 0 GFADRO CC[N@@H+]1CCC[C@@H](CNC(=O)Cc2ccc(I)cc2)C1 ZINC000489003694 564725861 /nfs/dbraw/zinc/72/58/61/564725861.db2.gz OFAVPFBEKWXDDF-AWEZNQCLSA-N 1 0 386.277 2.682 20 0 GFADRO Cc1c(Br)c2ccccc2n1CC(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000577198119 564728691 /nfs/dbraw/zinc/72/86/91/564728691.db2.gz GVBUBKXSNICCIA-UONOGXRCSA-N 1 0 376.298 2.780 20 0 GFADRO CN(C)c1cc(NC(=O)CCN(C)c2cc[nH+]cc2)ncc1Br ZINC000577198051 564729319 /nfs/dbraw/zinc/72/93/19/564729319.db2.gz UJFVLZPHKKMQEM-UHFFFAOYSA-N 1 0 378.274 2.770 20 0 GFADRO CN(C)c1ncc(Br)cc1C(=O)N1CCC([C@H]2[NH2+]CC2(C)C)CC1 ZINC000577223834 564729611 /nfs/dbraw/zinc/72/96/11/564729611.db2.gz LBJCXZQKKKMACA-OAHLLOKOSA-N 1 0 395.345 2.760 20 0 GFADRO Cc1nccc(NC(=O)NCC[N@@H+](C)Cc2ccccc2)c1Br ZINC000527088499 564729747 /nfs/dbraw/zinc/72/97/47/564729747.db2.gz BZXUYRDZRHJJFU-UHFFFAOYSA-N 1 0 377.286 2.828 20 0 GFADRO O=C(N[C@@H](c1ccc(Br)cc1)C1CCC1)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000489155764 564731596 /nfs/dbraw/zinc/73/15/96/564731596.db2.gz KMHTTYTXURIPSH-ZWKOTPCHSA-N 1 0 392.341 2.796 20 0 GFADRO CC[N@H+](CCOc1ccc(Br)cc1)[C@@H](C)C(=O)NC(=O)NC1CC1 ZINC000489331797 564735876 /nfs/dbraw/zinc/73/58/76/564735876.db2.gz SWLYFBBCSAAUQS-LBPRGKRZSA-N 1 0 398.301 2.527 20 0 GFADRO CC[N@H+](CCOc1ccc(Br)cc1)[C@H](C)C(=O)NC[C@@H]1CCCO1 ZINC000489328193 564735938 /nfs/dbraw/zinc/73/59/38/564735938.db2.gz KZBOTFVORJYHNS-PBHICJAKSA-N 1 0 399.329 2.834 20 0 GFADRO CC(C)[C@H]1CN(C(=O)Cc2cccc(I)c2)CC[N@@H+]1C ZINC000489386799 564737756 /nfs/dbraw/zinc/73/77/56/564737756.db2.gz DHJFICZVLSQDED-OAHLLOKOSA-N 1 0 386.277 2.632 20 0 GFADRO CCS(=O)(=O)c1ccc(CNC(=O)N2CCC[N@@H+](C(C)(C)C)CC2)s1 ZINC000527458136 564742827 /nfs/dbraw/zinc/74/28/27/564742827.db2.gz WXULBVMZUFWDDT-UHFFFAOYSA-N 1 0 387.571 2.558 20 0 GFADRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(S(=O)(=O)N(CC)CC)s2)[C@H]1SC ZINC000459394212 564742951 /nfs/dbraw/zinc/74/29/51/564742951.db2.gz ZNUGBAMDHHPUGI-SQWLQELKSA-N 1 0 392.612 2.777 20 0 GFADRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1S(=O)(=O)c1cc(F)ccc1Br ZINC000553892779 564743446 /nfs/dbraw/zinc/74/34/46/564743446.db2.gz DDZNMGRBMMKBFO-FZMZJTMJSA-N 1 0 391.306 2.836 20 0 GFADRO CN1CCN([C@H](C[NH2+][C@@H]2CCO[C@@H](C(F)(F)F)C2)c2cccs2)CC1 ZINC000578350468 564743519 /nfs/dbraw/zinc/74/35/19/564743519.db2.gz DNKZYNNWXQQYTM-IIAWOOMASA-N 1 0 377.476 2.736 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@H](NS(=O)(=O)c2cccc(OC(F)(F)F)c2F)C1 ZINC000489552307 564744058 /nfs/dbraw/zinc/74/40/58/564744058.db2.gz NAFYIWUFLCVWQH-WDEREUQCSA-N 1 0 384.395 2.875 20 0 GFADRO COCCNS(=O)(=O)c1cccc(C[NH2+]CCc2cccc(Cl)c2)c1 ZINC000459445864 564744922 /nfs/dbraw/zinc/74/49/22/564744922.db2.gz NVMGACCFQBMTLC-UHFFFAOYSA-N 1 0 382.913 2.597 20 0 GFADRO CC(C)[C@](C)([NH2+]Cc1ccc(I)cc1Cl)C(N)=O ZINC000459478653 564746266 /nfs/dbraw/zinc/74/62/66/564746266.db2.gz JOOWEXWSTDVOPG-ZDUSSCGKSA-N 1 0 380.657 2.934 20 0 GFADRO [NH3+]CCC1CCN(C(=O)[C@@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)CC1 ZINC000579607051 564749053 /nfs/dbraw/zinc/74/90/53/564749053.db2.gz IOPNWTFELKUQEY-AWEZNQCLSA-N 1 0 384.307 2.934 20 0 GFADRO Cc1nc(C(C)(C)C)sc1[C@@H](C)[NH2+][C@@H]1CCCN(S(=O)(=O)N(C)C)C1 ZINC000554085857 564750426 /nfs/dbraw/zinc/75/04/26/564750426.db2.gz HOVKVLBWRZVMCM-TZMCWYRMSA-N 1 0 388.603 2.670 20 0 GFADRO [NH3+][C@@H](Cc1ccccc1)[C@@H](O)CN1CCc2ccc(F)c(Br)c2C1 ZINC000527616467 564750423 /nfs/dbraw/zinc/75/04/23/564750423.db2.gz CDWGIUPKOIZAAU-ROUUACIJSA-N 1 0 393.300 2.877 20 0 GFADRO CCOc1cc(CN2C[C@@H](N3CCOCC3)C[C@H]2C)cc(Br)c1O ZINC000459551387 564750616 /nfs/dbraw/zinc/75/06/16/564750616.db2.gz VUKNHYBLTMOSRO-HIFRSBDPSA-N 1 0 399.329 2.848 20 0 GFADRO COCc1cc(C[NH2+]C[C@H](CO)Cc2cccc(Br)c2C)no1 ZINC000459570868 564751583 /nfs/dbraw/zinc/75/15/83/564751583.db2.gz MZOPAMIJBNRUEF-CYBMUJFWSA-N 1 0 383.286 2.833 20 0 GFADRO CCS(=O)(=O)N1CCC([NH2+]Cc2ccc(Br)c(F)c2F)CC1 ZINC000527636969 564752262 /nfs/dbraw/zinc/75/22/62/564752262.db2.gz SQDSPDNALSUZQY-UHFFFAOYSA-N 1 0 397.285 2.631 20 0 GFADRO Cc1cc(S(=O)(=O)NCCC[NH+]2CCCC2)c(C)cc1Br ZINC000579883841 564753066 /nfs/dbraw/zinc/75/30/66/564753066.db2.gz AJOGSIOZBANJHF-UHFFFAOYSA-N 1 0 375.332 2.830 20 0 GFADRO O=S1(=O)CCC[C@@H]([NH2+]Cc2c[nH]nc2-c2ccc(Br)s2)C1 ZINC000527660158 564753356 /nfs/dbraw/zinc/75/33/56/564753356.db2.gz FPXXMRKNRJSKCB-SNVBAGLBSA-N 1 0 390.328 2.568 20 0 GFADRO CO[C@@H](C[NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1)CC(C)C ZINC000580305811 564755021 /nfs/dbraw/zinc/75/50/21/564755021.db2.gz VYTALUAWPPPVGS-GDBMZVCRSA-N 1 0 378.282 2.979 20 0 GFADRO NC(=O)[C@H](C[NH2+]Cc1ncc(Br)cc1F)Cc1ccc(F)cc1 ZINC000527685395 564755699 /nfs/dbraw/zinc/75/56/99/564755699.db2.gz MWGTVLUWCIHUIQ-NSHDSACASA-N 1 0 384.224 2.556 20 0 GFADRO COc1cc(C[NH2+][C@@H]2CCC[C@@H]2CNS(C)(=O)=O)cc(C(F)(F)F)c1 ZINC000527703562 564756253 /nfs/dbraw/zinc/75/62/53/564756253.db2.gz KINKVPASOCHXCN-IUODEOHRSA-N 1 0 380.432 2.522 20 0 GFADRO O[C@H](C[NH2+]Cc1ccc2c(n1)CCC2)COc1ccccc1Br ZINC000580405248 564756466 /nfs/dbraw/zinc/75/64/66/564756466.db2.gz APXMNLJCVIQQRQ-OAHLLOKOSA-N 1 0 377.282 2.862 20 0 GFADRO OCCCN1CCC[C@@H]1C[NH2+]Cc1c[nH]nc1-c1ccc(Br)s1 ZINC000527714482 564757412 /nfs/dbraw/zinc/75/74/12/564757412.db2.gz UYDLVYHENKOVNA-CYBMUJFWSA-N 1 0 399.358 2.837 20 0 GFADRO COc1ccc(C[N@@H+]2CCCN(C(=O)[C@H]3C[C@]3(C)Br)CC2)cc1 ZINC000527795377 564761539 /nfs/dbraw/zinc/76/15/39/564761539.db2.gz MVKCBANUJNLICR-AEFFLSMTSA-N 1 0 381.314 2.903 20 0 GFADRO Ic1cnc(CNC[C@H]2CC[N@@H+]2C2CCCC2)s1 ZINC000527811640 564762687 /nfs/dbraw/zinc/76/26/87/564762687.db2.gz RPKCKQBITQBOFS-LLVKDONJSA-N 1 0 377.295 2.854 20 0 GFADRO CN(Cc1ccc(Cl)s1)C(=O)C(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000459853087 564762715 /nfs/dbraw/zinc/76/27/15/564762715.db2.gz DKRMMHRHEJUSEF-AWEZNQCLSA-N 1 0 383.945 2.550 20 0 GFADRO CC[N@@H+]1CCN(C(=O)[C@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)[C@H](C)C1 ZINC000580535417 564763392 /nfs/dbraw/zinc/76/33/92/564763392.db2.gz IXAVEKOXMFKAQM-TZMCWYRMSA-N 1 0 384.307 2.899 20 0 GFADRO O=C(COC1CC[NH2+]CC1)N[C@H]1C[C@H](c2ccc(F)c(Br)c2)C1 ZINC000580551773 564763780 /nfs/dbraw/zinc/76/37/80/564763780.db2.gz GGFPFNUIKWRMBG-JOCQHMNTSA-N 1 0 385.277 2.719 20 0 GFADRO CC(C)[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)c2ccc(Br)cc2)CC1 ZINC000580576050 564765596 /nfs/dbraw/zinc/76/55/96/564765596.db2.gz WDFYMDKLWYKVTJ-ZDUSSCGKSA-N 1 0 396.329 2.615 20 0 GFADRO CC(C)[N@H+](C)C[C@@H](O)CSc1nnc(COc2ccc(Cl)cc2)n1C ZINC000580580657 564765781 /nfs/dbraw/zinc/76/57/81/564765781.db2.gz DXWCTKUJDQFIRC-CQSZACIVSA-N 1 0 384.933 2.841 20 0 GFADRO C[C@@H]([NH2+]C[C@]1(CO)COCC2(CCC2)N1C)c1cc(Br)cs1 ZINC000527954689 564766297 /nfs/dbraw/zinc/76/62/97/564766297.db2.gz MGBJVLCGUHLWJG-WBMJQRKESA-N 1 0 389.359 2.777 20 0 GFADRO CC(C)[C@H]1C[NH2+]CCN1S(=O)(=O)c1cc(Cl)ccc1Br ZINC000528049492 564767979 /nfs/dbraw/zinc/76/79/79/564767979.db2.gz PIWNFFVRVSNXSB-GFCCVEGCSA-N 1 0 381.723 2.721 20 0 GFADRO CC(=O)N1CCC[C@@H](C[NH2+]C[C@@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000580709859 564770269 /nfs/dbraw/zinc/77/02/69/564770269.db2.gz GLWANVVMYCXUJM-UONOGXRCSA-N 1 0 375.296 2.581 20 0 GFADRO CSC1(CNC(=O)N[C@H]2CCOC3(CCSCC3)C2)CC[NH+](C)CC1 ZINC000580747911 564771950 /nfs/dbraw/zinc/77/19/50/564771950.db2.gz RTDLQYQNYDXSCI-HNNXBMFYSA-N 1 0 387.615 2.558 20 0 GFADRO CC(=O)N[C@H](CC(=O)N1CC[N@@H+](C)C(C)(C)C1)c1ccc(Br)cc1 ZINC000580739065 564771979 /nfs/dbraw/zinc/77/19/79/564771979.db2.gz DWIAUDYJKBGUNB-MRXNPFEDSA-N 1 0 396.329 2.569 20 0 GFADRO CC[NH+](CC)[C@@H]1CCN(Cc2cn(-c3ccccc3Br)nn2)C1 ZINC000555092111 564782624 /nfs/dbraw/zinc/78/26/24/564782624.db2.gz FLBJOTMDWXILHN-OAHLLOKOSA-N 1 0 378.318 2.946 20 0 GFADRO O=C(CCNc1ncc(C(F)(F)F)cc1Cl)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000460969812 564786679 /nfs/dbraw/zinc/78/66/79/564786679.db2.gz AHUVRFCFHDMKBQ-LLVKDONJSA-N 1 0 376.810 2.909 20 0 GFADRO CC[N@@H+]1CCCN(C(=O)C(=O)Nc2cccc(Br)c2Cl)CC1 ZINC000555268207 564788023 /nfs/dbraw/zinc/78/80/23/564788023.db2.gz INLBFEIPDRIBPM-UHFFFAOYSA-N 1 0 388.693 2.595 20 0 GFADRO Cc1nc2cc(Cl)c(NC(=O)N3CC[C@H](N4CC[NH2+]CC4)C3)cc2s1 ZINC000581119879 564789007 /nfs/dbraw/zinc/78/90/07/564789007.db2.gz QMJYWGMAGAEWPN-LBPRGKRZSA-N 1 0 379.917 2.770 20 0 GFADRO CN1CC[NH+](CC2CCN(C(=O)c3ccsc3C(F)(F)F)CC2)CC1 ZINC000528507219 564789267 /nfs/dbraw/zinc/78/92/67/564789267.db2.gz WRUUKKUWRBIALS-UHFFFAOYSA-N 1 0 375.460 2.867 20 0 GFADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)c1c(Br)ccc2ccccc21 ZINC000528519429 564790981 /nfs/dbraw/zinc/79/09/81/564790981.db2.gz CHYVVDYAGDEWSK-AWEZNQCLSA-N 1 0 376.298 2.578 20 0 GFADRO COC[C@@]1(CNC(=O)Nc2cc3c(cc2Br)CCC3)CCC[NH2+]1 ZINC000581179096 564791499 /nfs/dbraw/zinc/79/14/99/564791499.db2.gz HMGJBWVNRBMFOS-KRWDZBQOSA-N 1 0 382.302 2.828 20 0 GFADRO COC[C@H](C)OC[C@@H](O)C[NH2+][C@@H]1CSc2ccc(Br)cc21 ZINC000581247244 564794123 /nfs/dbraw/zinc/79/41/23/564794123.db2.gz RKRMKOULFXUFIY-VHRBIJSZSA-N 1 0 376.316 2.598 20 0 GFADRO COc1cc(C[NH2+][C@H]2CCO[C@H](c3ccnn3C)C2)cc(Br)c1O ZINC000581291126 564795882 /nfs/dbraw/zinc/79/58/82/564795882.db2.gz HUTYVMRDTCHPRP-WFASDCNBSA-N 1 0 396.285 2.907 20 0 GFADRO O=S(=O)(NCC[NH+]1CCCCCC1)c1ccc(OCC(F)(F)F)cc1 ZINC000491857400 564796158 /nfs/dbraw/zinc/79/61/58/564796158.db2.gz VDOAMIMQERHMBY-UHFFFAOYSA-N 1 0 380.432 2.782 20 0 GFADRO O=S1(=O)CCCN1c1ccc(C[NH2+]Cc2ccc(Br)cn2)cc1 ZINC000461435376 564796623 /nfs/dbraw/zinc/79/66/23/564796623.db2.gz XHTASUAPKCOIHV-UHFFFAOYSA-N 1 0 396.310 2.674 20 0 GFADRO CO[C@@]1(C[NH2+]Cc2cn(-c3ccc(Br)cc3)nc2C)CCOC1 ZINC000461429080 564797111 /nfs/dbraw/zinc/79/71/11/564797111.db2.gz RTBAXIFYAIWXIM-QGZVFWFLSA-N 1 0 380.286 2.838 20 0 GFADRO COC[C@H](CC(C)C)[NH2+]CCNS(=O)(=O)c1cccc(Cl)c1Cl ZINC000581326235 564798287 /nfs/dbraw/zinc/79/82/87/564798287.db2.gz IDCFMGGSMUPLSS-LBPRGKRZSA-N 1 0 383.341 2.922 20 0 GFADRO O=C(Nc1cnn(-c2ncc(Cl)cc2Cl)c1)N[C@@H]1CC[NH2+]C12CCC2 ZINC000528682921 564799844 /nfs/dbraw/zinc/79/98/44/564799844.db2.gz DIHIIUVFVSAEAL-CYBMUJFWSA-N 1 0 381.267 2.980 20 0 GFADRO COCC(=O)N1CCC([NH2+][C@@H]2CCc3cc(Br)cc(C)c32)CC1 ZINC000492149419 564799907 /nfs/dbraw/zinc/79/99/07/564799907.db2.gz FDXWCPLCUNWVNB-MRXNPFEDSA-N 1 0 381.314 2.972 20 0 GFADRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cccc(I)c2)[C@H]1n1cccn1 ZINC000555648327 564800271 /nfs/dbraw/zinc/80/02/71/564800271.db2.gz YEWRMYPLVSQRQU-BZUAXINKSA-N 1 0 397.260 2.996 20 0 GFADRO O=C(NC[C@H]1COCC[NH2+]1)Nc1cc(C(F)(F)F)ccc1Br ZINC000528691297 564800727 /nfs/dbraw/zinc/80/07/27/564800727.db2.gz QRIWYNMYYCZYII-VIFPVBQESA-N 1 0 382.180 2.578 20 0 GFADRO C[C@@H]1CCC[C@]1(O)C[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000555635988 564800767 /nfs/dbraw/zinc/80/07/67/564800767.db2.gz UDYOZEIOBUJWFL-KDOFPFPSSA-N 1 0 383.330 2.926 20 0 GFADRO CCCN1C[C@@H](C[NH2+]C[C@@H](O)COc2c(Cl)cccc2Cl)CC1=O ZINC000581425153 564801398 /nfs/dbraw/zinc/80/13/98/564801398.db2.gz ZJHAXDBVUJMISA-CHWSQXEVSA-N 1 0 375.296 2.581 20 0 GFADRO CC1(N2CCOCC2)CC[NH+](C[C@H](O)c2ccc(Br)cc2)CC1 ZINC000528727274 564802894 /nfs/dbraw/zinc/80/28/94/564802894.db2.gz IZGFUPXAUQGMRV-KRWDZBQOSA-N 1 0 383.330 2.669 20 0 GFADRO C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@H]2CCc3c2cccc3Br)[C@H](C)C1 ZINC000492756637 564803199 /nfs/dbraw/zinc/80/31/99/564803199.db2.gz KIAXZDJDBXNILW-IGCXYCKISA-N 1 0 396.329 2.533 20 0 GFADRO CC(C)[C@@H](C[NH2+]Cc1cn2ccc(Br)cc2n1)N1CCOCC1 ZINC000581458981 564803485 /nfs/dbraw/zinc/80/34/85/564803485.db2.gz VKPUMSNSOZCUNA-MRXNPFEDSA-N 1 0 381.318 2.543 20 0 GFADRO O=C(CNC(=O)c1sc2ccccc2c1Cl)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000581547385 564807393 /nfs/dbraw/zinc/80/73/93/564807393.db2.gz XISLXXJOVSANMY-NEPJUHHUSA-N 1 0 377.897 2.637 20 0 GFADRO Cc1cc(Br)cc(C)c1S(=O)(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000461893266 564807802 /nfs/dbraw/zinc/80/78/02/564807802.db2.gz BQQBUZNUALXKKZ-LSDHHAIUSA-N 1 0 387.343 2.732 20 0 GFADRO O=S(=O)(N[C@@H]1C[C@H]1C1CC[NH2+]CC1)c1ccc(OC(F)F)c(Cl)c1 ZINC000461906186 564808195 /nfs/dbraw/zinc/80/81/95/564808195.db2.gz FRXPYUQELZVHEO-WCQYABFASA-N 1 0 380.844 2.608 20 0 GFADRO CCN(C(=O)C1CC[NH+]([C@@H]2CCSC2)CC1)c1ncc(C(=O)OC)s1 ZINC000581557758 564808256 /nfs/dbraw/zinc/80/82/56/564808256.db2.gz UCSPKZPLAHFLNE-CYBMUJFWSA-N 1 0 383.539 2.500 20 0 GFADRO COC(=O)c1cc(Br)cc(C(=O)NCC[N@@H+]2CCCC[C@H]2C)c1 ZINC000461916069 564808393 /nfs/dbraw/zinc/80/83/93/564808393.db2.gz MSIHWGAXMGHQTG-GFCCVEGCSA-N 1 0 383.286 2.840 20 0 GFADRO [NH3+]C[C@@H]1CCCC[C@@]12NC(=O)N(CCOc1cc(Cl)ccc1Cl)C2=O ZINC000581605892 564809801 /nfs/dbraw/zinc/80/98/01/564809801.db2.gz FSWBXYSZFDYQKM-APPDUMDISA-N 1 0 386.279 2.812 20 0 GFADRO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCCCNC(=O)c1cccc(Br)c1 ZINC000461971150 564810114 /nfs/dbraw/zinc/81/01/14/564810114.db2.gz LKVSIHHXMPHTPJ-OKILXGFUSA-N 1 0 396.329 2.558 20 0 GFADRO CC[NH+](CC)[C@H](CNC(=O)C(=O)N1CCS[C@@H](C)[C@@H]1C)c1ccsc1 ZINC000556058808 564811334 /nfs/dbraw/zinc/81/13/34/564811334.db2.gz DTLUFSGDXAKBJE-OFQRWUPVSA-N 1 0 383.583 2.600 20 0 GFADRO COC(=O)c1cc(Br)cc(C(=O)N2CCC[C@H]2C[NH+]2CCCC2)c1 ZINC000462028799 564812027 /nfs/dbraw/zinc/81/20/27/564812027.db2.gz GFJJNBHMAACWPI-INIZCTEOSA-N 1 0 395.297 2.936 20 0 GFADRO CC(C)S(=O)(=O)c1c(Cl)cccc1NC(=O)N[C@H](C)CC[NH+](C)C ZINC000556091923 564812321 /nfs/dbraw/zinc/81/23/21/564812321.db2.gz NZKQMSMMFMXMOC-GFCCVEGCSA-N 1 0 375.922 2.984 20 0 GFADRO CS(=O)(=O)CC1CCC([NH2+]CCC2CCN(CC(F)(F)F)CC2)CC1 ZINC000556105017 564813547 /nfs/dbraw/zinc/81/35/47/564813547.db2.gz PTMDPSKMCNQRBT-UHFFFAOYSA-N 1 0 384.508 2.844 20 0 GFADRO Cn1cc(Br)cc(NC(=O)NC[C@H]2CC[N@@H+]2C2CCCCC2)c1=O ZINC000529010950 564814061 /nfs/dbraw/zinc/81/40/61/564814061.db2.gz QHTPUCKPVBZEHF-CQSZACIVSA-N 1 0 397.317 2.676 20 0 GFADRO CC(C)CN(Cc1ccccc1Br)C(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000493921589 564814277 /nfs/dbraw/zinc/81/42/77/564814277.db2.gz YQOICUMIOQAAJN-SFHVURJKSA-N 1 0 394.357 2.824 20 0 GFADRO CN(C)S(=O)(=O)CC[NH2+][C@@H]1CCCCc2cc(Br)ccc21 ZINC000581696871 564815164 /nfs/dbraw/zinc/81/51/64/564815164.db2.gz FYHQNEXCWZCFNQ-OAHLLOKOSA-N 1 0 375.332 2.698 20 0 GFADRO C[C@@H](CCc1ccc(I)cc1)[NH2+]C[C@H]1CC[C@@H](CO)O1 ZINC000556217267 564815360 /nfs/dbraw/zinc/81/53/60/564815360.db2.gz ZGRQVIHRFFDMKT-MAZHCROVSA-N 1 0 389.277 2.742 20 0 GFADRO Cc1ccc(NC(=O)[C@@H]2C[C@]2(C)Br)cc1NC(=O)CC[NH+](C)C ZINC000529043062 564815684 /nfs/dbraw/zinc/81/56/84/564815684.db2.gz HHEQZWWKIWLQAY-GUYCJALGSA-N 1 0 382.302 2.997 20 0 GFADRO C[NH+](C)CCOCCNC(=O)Nc1nc2c(cccc2Br)s1 ZINC000494091279 564816735 /nfs/dbraw/zinc/81/67/35/564816735.db2.gz AWRAGCWEXTYHCB-UHFFFAOYSA-N 1 0 387.303 2.759 20 0 GFADRO CC[N@@H+]1CCCC[C@H]1CNS(=O)(=O)CCc1ccccc1Br ZINC000462088353 564817779 /nfs/dbraw/zinc/81/77/79/564817779.db2.gz HVENVXKSWNFQHJ-HNNXBMFYSA-N 1 0 389.359 2.785 20 0 GFADRO CC[NH+](CC)[C@@H]1CCN(S(=O)(=O)CCc2ccccc2Br)C1 ZINC000462105713 564819258 /nfs/dbraw/zinc/81/92/58/564819258.db2.gz UYVFRRCFWLNMQN-OAHLLOKOSA-N 1 0 389.359 2.738 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CN(C)S(=O)(=O)CCc1ccccc1Br ZINC000462104706 564819736 /nfs/dbraw/zinc/81/97/36/564819736.db2.gz LSDZLIBXLKHSER-OAHLLOKOSA-N 1 0 389.359 2.738 20 0 GFADRO O=S(=O)(NCCCCC[NH+]1CCCCC1)c1ccc(Br)cn1 ZINC000462140143 564822945 /nfs/dbraw/zinc/82/29/45/564822945.db2.gz PAAJAHIDOAIYSD-UHFFFAOYSA-N 1 0 390.347 2.779 20 0 GFADRO CCCc1ccc(Cl)c(S(=O)(=O)NCCN2CC[N@H+](C)C(C)(C)C2)c1 ZINC000556392452 564823807 /nfs/dbraw/zinc/82/38/07/564823807.db2.gz LKPCAMGRCUYRBG-UHFFFAOYSA-N 1 0 387.977 2.597 20 0 GFADRO CCC[NH+]1CCC(CNC(=O)c2nc(C3CC3)ncc2Br)CC1 ZINC000494338264 564824808 /nfs/dbraw/zinc/82/48/08/564824808.db2.gz JIGMVXZUBBEZLL-UHFFFAOYSA-N 1 0 381.318 2.968 20 0 GFADRO C[C@@H](c1ccsc1)N1CCN(C(=O)NC[C@]2([NH+](C)C)CCSC2)CC1 ZINC000462202243 564826570 /nfs/dbraw/zinc/82/65/70/564826570.db2.gz GFCRXFVRBBAVSI-MAUKXSAKSA-N 1 0 382.599 2.574 20 0 GFADRO O=C(NCc1cccc(Br)c1)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000529297344 564828370 /nfs/dbraw/zinc/82/83/70/564828370.db2.gz CURDXIGARJMZRP-QGZVFWFLSA-N 1 0 396.329 2.749 20 0 GFADRO CC[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2ccc(Br)c(F)c2)C1 ZINC000462253532 564829010 /nfs/dbraw/zinc/82/90/10/564829010.db2.gz HQWSAAFMCDADPI-NSHDSACASA-N 1 0 379.295 2.598 20 0 GFADRO C[C@@H](NC(=O)N1CCCO[C@H](C[NH3+])C1)c1cc(F)c(Br)cc1F ZINC000529346845 564830101 /nfs/dbraw/zinc/83/01/01/564830101.db2.gz FQQGBPOJKDCKKO-NXEZZACHSA-N 1 0 392.244 2.548 20 0 GFADRO O=C(C[NH2+][C@H]1CCO[C@H]1c1ccc(Cl)cc1)NCC(=O)c1cccs1 ZINC000494457961 564830422 /nfs/dbraw/zinc/83/04/22/564830422.db2.gz QVOLQGLDMDQJPT-KSSFIOAISA-N 1 0 378.881 2.820 20 0 GFADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)NCC[NH+]2[C@@H](C)CCC[C@@H]2C)c1 ZINC000462281178 564830804 /nfs/dbraw/zinc/83/08/04/564830804.db2.gz QCPVSWDKFYHHBU-STQMWFEESA-N 1 0 388.917 2.668 20 0 GFADRO CN(C(=O)N[C@@H]1CC[NH2+]C12CCC2)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000529352807 564831383 /nfs/dbraw/zinc/83/13/83/564831383.db2.gz UNEBPHISQMLTSQ-XHSDSOJGSA-N 1 0 384.307 2.878 20 0 GFADRO CC[C@H](C)[N@H+](C)CCNS(=O)(=O)c1cnn(-c2ccc(Cl)cc2)c1C ZINC000462295060 564831968 /nfs/dbraw/zinc/83/19/68/564831968.db2.gz LRNUUSXWMIMUOT-ZDUSSCGKSA-N 1 0 384.933 2.843 20 0 GFADRO C[C@H]1CCN(C(=O)NCc2cc(F)c(Br)cc2F)C[C@@H]1C[NH3+] ZINC000529371405 564832124 /nfs/dbraw/zinc/83/21/24/564832124.db2.gz XCNNZBKHARNUKU-ONGXEEELSA-N 1 0 376.245 2.854 20 0 GFADRO COC(=O)c1cn(CC[NH2+][C@@H](c2ccc(Br)cc2)C2CC2)nn1 ZINC000556605904 564832229 /nfs/dbraw/zinc/83/22/29/564832229.db2.gz MMDLRNNONAJNRW-OAHLLOKOSA-N 1 0 379.258 2.568 20 0 GFADRO C[C@H](NC(=O)CC[C@@H]1CCC[NH2+]1)c1cc2c(cc1Br)OCCO2 ZINC000494527096 564832549 /nfs/dbraw/zinc/83/25/49/564832549.db2.gz JHAVQSLGZSRWMQ-RYUDHWBXSA-N 1 0 383.286 2.930 20 0 GFADRO Cc1ccc(C[C@@H](CO)C[NH2+]C[C@](C)(O)C(F)(F)F)cc1Br ZINC000582181272 564834510 /nfs/dbraw/zinc/83/45/10/564834510.db2.gz OFROBCPFAOIUDE-OCCSQVGLSA-N 1 0 384.236 2.811 20 0 GFADRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)NCCSc1ccc(Cl)cc1 ZINC000582195030 564835491 /nfs/dbraw/zinc/83/54/91/564835491.db2.gz LARSVXWMPBACHW-OAHLLOKOSA-N 1 0 383.945 2.539 20 0 GFADRO C[C@H]1C[N@H+](C)CCN1c1ccc(Br)cc1NC(=O)c1cccnn1 ZINC000529456211 564835763 /nfs/dbraw/zinc/83/57/63/564835763.db2.gz GDTLOFWXXZIEDK-LBPRGKRZSA-N 1 0 390.285 2.632 20 0 GFADRO O=C(Nc1ccc(Br)c(C(F)(F)F)c1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000556710982 564836653 /nfs/dbraw/zinc/83/66/53/564836653.db2.gz USHJVXQBCRQJDU-CYBMUJFWSA-N 1 0 392.219 2.796 20 0 GFADRO COC(=O)[C@H](c1ccc(Cl)cc1Cl)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000494703953 564837220 /nfs/dbraw/zinc/83/72/20/564837220.db2.gz RXYXSOQTXADCTH-GUYCJALGSA-N 1 0 387.307 2.862 20 0 GFADRO Cc1cc(Br)c(S(=O)(=O)NCC2([NH+](C)C)CCCC2)s1 ZINC000462434854 564840113 /nfs/dbraw/zinc/84/01/13/564840113.db2.gz FZDVJHUUCNUSTH-UHFFFAOYSA-N 1 0 381.361 2.972 20 0 GFADRO Cn1ccnc1-c1csc(NC(=O)C2CC[NH+]([C@H]3CCSC3)CC2)n1 ZINC000556824097 564841598 /nfs/dbraw/zinc/84/15/98/564841598.db2.gz UOUUOJBVWYCPSB-ZDUSSCGKSA-N 1 0 377.539 2.700 20 0 GFADRO CCCOc1ccc(Br)cc1C[NH2+][C@H](CC(N)=O)C1CCOCC1 ZINC000462465272 564841874 /nfs/dbraw/zinc/84/18/74/564841874.db2.gz RKPHCCUWKQBEEZ-MRXNPFEDSA-N 1 0 399.329 2.998 20 0 GFADRO C[C@H]1CN(Cc2ncc(Cl)cc2Br)CC[N@@H+]1CC(C)(C)O ZINC000529551991 564841978 /nfs/dbraw/zinc/84/19/78/564841978.db2.gz KFNKRAIHIFZZPP-NSHDSACASA-N 1 0 376.726 2.775 20 0 GFADRO CN1C(=O)NCC12CC[NH+](CCC(=O)Nc1c(Cl)cccc1Cl)CC2 ZINC000582356519 564842728 /nfs/dbraw/zinc/84/27/28/564842728.db2.gz FNJUTDDXWOYRMQ-UHFFFAOYSA-N 1 0 385.295 2.812 20 0 GFADRO CSC1(CNC(=O)N[C@H](CCO)c2ccc(Cl)cc2)CC[NH+](C)CC1 ZINC000462508436 564844354 /nfs/dbraw/zinc/84/43/54/564844354.db2.gz WJDIBSPKLCKQTJ-MRXNPFEDSA-N 1 0 385.961 2.890 20 0 GFADRO CN1CCO[C@@H](CSCc2nc(Cc3cccc(Br)c3)no2)C1 ZINC000582420059 564845354 /nfs/dbraw/zinc/84/53/54/564845354.db2.gz XRCAJJYWVIIXGG-CQSZACIVSA-N 1 0 398.326 2.987 20 0 GFADRO CC1(C)Cc2c(cccc2Br)[C@H]1NC(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000582410422 564845559 /nfs/dbraw/zinc/84/55/59/564845559.db2.gz FDOYDFQFTTVYEE-MLGOLLRUSA-N 1 0 396.329 2.750 20 0 GFADRO COC(=O)c1cccc(NC(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)c1Br ZINC000495007220 564845720 /nfs/dbraw/zinc/84/57/20/564845720.db2.gz OIEQNVNGVYUGQB-QWRGUYRKSA-N 1 0 384.274 2.840 20 0 GFADRO C[C@@H]([NH2+]Cc1ccc(C[S@](C)=O)cc1)c1ccc(NS(C)(=O)=O)cc1 ZINC000556898027 564846006 /nfs/dbraw/zinc/84/60/06/564846006.db2.gz DPJLAUXUNQNYGC-SHACYNPGSA-N 1 0 380.535 2.787 20 0 GFADRO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N(CCO)Cc1cc(Br)cs1 ZINC000462538554 564846365 /nfs/dbraw/zinc/84/63/65/564846365.db2.gz ZUXIGRIBHUETQX-GFCCVEGCSA-N 1 0 392.363 2.743 20 0 GFADRO C[C@H]([NH2+]C[C@@H]1CCCCN1S(C)(=O)=O)c1nc2ccc(Cl)cc2n1C ZINC000556922460 564847189 /nfs/dbraw/zinc/84/71/89/564847189.db2.gz BWSIRLFFJRTLCV-JSGCOSHPSA-N 1 0 384.933 2.691 20 0 GFADRO Cc1sc2nc(CN3CC[NH+](C[C@H]4CCSC4)CC3)[nH]c(=O)c2c1C ZINC000495078686 564848026 /nfs/dbraw/zinc/84/80/26/564848026.db2.gz KPTXAFDYLUSFDO-CQSZACIVSA-N 1 0 378.567 2.884 20 0 GFADRO Cc1[nH]c(=O)c(Br)cc1C(=O)NCc1ccc(CC[NH+](C)C)cc1 ZINC000557005300 564850680 /nfs/dbraw/zinc/85/06/80/564850680.db2.gz BBCYHPBHGZHBFW-UHFFFAOYSA-N 1 0 392.297 2.892 20 0 GFADRO C[C@@H](c1ccc(Br)cc1)N1CCN(C[C@@H](O)C[N@H+](C)C2CC2)CC1 ZINC000582574536 564853092 /nfs/dbraw/zinc/85/30/92/564853092.db2.gz GYOUPWOAADCJLR-KXBFYZLASA-N 1 0 396.373 2.583 20 0 GFADRO O=C(COc1ccccc1Br)N1CC[C@H](OCC[NH+]2CCCC2)C1 ZINC000495351162 564853973 /nfs/dbraw/zinc/85/39/73/564853973.db2.gz SNTLAFVVVPFLPT-HNNXBMFYSA-N 1 0 397.313 2.541 20 0 GFADRO O=C(NCCNc1ncc(Cl)cc1Cl)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000557131415 564855053 /nfs/dbraw/zinc/85/50/53/564855053.db2.gz UGDRUTAPRIMYEZ-QWHCGFSZSA-N 1 0 386.327 2.831 20 0 GFADRO CC1([NH+]2CCOCC2)CCN(C(=O)Cc2cccc(Br)c2)CC1 ZINC000529913508 564856346 /nfs/dbraw/zinc/85/63/46/564856346.db2.gz JNCADELIHIBCAY-UHFFFAOYSA-N 1 0 381.314 2.705 20 0 GFADRO O=C(C1CC1)N1CCC([NH2+]C[C@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000557202275 564857652 /nfs/dbraw/zinc/85/76/52/564857652.db2.gz OWAIRCBZICGMPM-HNNXBMFYSA-N 1 0 387.307 2.724 20 0 GFADRO O=C(NCCOc1ncc(Cl)cc1Cl)N1CCC2(CC[NH2+]CC2)CC1 ZINC000557183952 564857687 /nfs/dbraw/zinc/85/76/87/564857687.db2.gz FCSCWKDKFHAIDR-UHFFFAOYSA-N 1 0 387.311 2.942 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)C(=O)N1CC[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000495990193 564858074 /nfs/dbraw/zinc/85/80/74/564858074.db2.gz NSLSKIDGWAZEMF-CJNGLKHVSA-N 1 0 394.313 2.503 20 0 GFADRO Cc1cc(N2CC[C@H]([NH2+][C@@H]3CN(C4CC4)C[C@H]3C)C2=O)ccc1Br ZINC000462841536 564859692 /nfs/dbraw/zinc/85/96/92/564859692.db2.gz PFUDMVHBPLGQFN-JEBQAFNWSA-N 1 0 392.341 2.935 20 0 GFADRO CC[N@@H+]1CCCC[C@@H]1CNc1ncnc2ccc(I)cc21 ZINC000462831596 564859894 /nfs/dbraw/zinc/85/98/94/564859894.db2.gz GDCNHWZZXCMWBE-CYBMUJFWSA-N 1 0 396.276 3.521 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1 ZINC000497079804 564862700 /nfs/dbraw/zinc/86/27/00/564862700.db2.gz LJSVXQWTLAKTCX-SWLSCSKDSA-N 1 0 384.307 2.947 20 0 GFADRO [NH3+]CCCOC1CCN(C(=O)c2cc3cc(Br)ccc3[nH]2)CC1 ZINC000582792651 564862789 /nfs/dbraw/zinc/86/27/89/564862789.db2.gz UWDONLWWEJKQTC-UHFFFAOYSA-N 1 0 380.286 2.900 20 0 GFADRO CS(=O)(=O)N1CC[C@H]([NH2+][C@@H]2CC[C@@H](c3ccc(C(F)(F)F)cc3)C2)C1 ZINC000582848943 564864362 /nfs/dbraw/zinc/86/43/62/564864362.db2.gz INBLPNQFYFUPOT-BMFZPTHFSA-N 1 0 376.444 2.965 20 0 GFADRO NC(=O)[C@@H](NC[C@H]1CC[N@@H+]1C1CCCCC1)c1ccc(Br)cc1 ZINC000530129128 564865698 /nfs/dbraw/zinc/86/56/98/564865698.db2.gz FFMIMEDZZMQQLX-SJORKVTESA-N 1 0 380.330 2.972 20 0 GFADRO O[C@H](C[NH2+]Cc1cnn(CC(F)(F)F)c1)COCc1ccc(Cl)cc1 ZINC000582900227 564867354 /nfs/dbraw/zinc/86/73/54/564867354.db2.gz IDUBJPHZMQOZEN-OAHLLOKOSA-N 1 0 377.794 2.766 20 0 GFADRO COc1cc(C[N@@H+]2CCC[C@@H](CNS(=O)(=O)C3CC3)C2)ccc1SC ZINC000582929019 564867893 /nfs/dbraw/zinc/86/78/93/564867893.db2.gz WWPMTNAZOGPJKH-HNNXBMFYSA-N 1 0 384.567 2.711 20 0 GFADRO CCC[N@H+](CC)C[C@H](C)NC(=O)Nc1ccc(Cl)c(S(C)(=O)=O)c1 ZINC000582934529 564868409 /nfs/dbraw/zinc/86/84/09/564868409.db2.gz VOUUDLIJUVFEAN-LBPRGKRZSA-N 1 0 375.922 2.985 20 0 GFADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)NCCc3cc(Br)ccc3F)[C@@H]2C1 ZINC000497480659 564868516 /nfs/dbraw/zinc/86/85/16/564868516.db2.gz DWGINFTXSKMIRD-MLGOLLRUSA-N 1 0 384.293 2.866 20 0 GFADRO COC[C@]1(CNC(=O)CCc2cc(Cl)ccc2Br)CCC[NH2+]1 ZINC000582959233 564870157 /nfs/dbraw/zinc/87/01/57/564870157.db2.gz DDIOVYOAPVNNIJ-MRXNPFEDSA-N 1 0 389.721 2.920 20 0 GFADRO C[NH2+]C[C@H]1CCCN(C(=O)c2scc(C)c2I)C1 ZINC000582962717 564870207 /nfs/dbraw/zinc/87/02/07/564870207.db2.gz GANPNJWGBKJAHY-SNVBAGLBSA-N 1 0 378.279 2.733 20 0 GFADRO CS[C@H]1CN(c2ncc(Br)c(OC(C)(C)C)n2)C[C@H]1[NH+](C)C ZINC000557643446 564870409 /nfs/dbraw/zinc/87/04/09/564870409.db2.gz YCLCXXPMIHFCSB-NEPJUHHUSA-N 1 0 389.363 2.898 20 0 GFADRO Cc1nc(NC(=O)[C@@H]2Cc3ccccc3C[NH2+]2)ccc1I ZINC000463141181 564870671 /nfs/dbraw/zinc/87/06/71/564870671.db2.gz BVHWXMNAOKZRJN-AWEZNQCLSA-N 1 0 393.228 2.648 20 0 GFADRO C[NH+](C)CC[C@@H](NC(=O)NCCCn1cc(Br)cn1)C(C)(C)C ZINC000497552339 564870895 /nfs/dbraw/zinc/87/08/95/564870895.db2.gz AQQIICBONCXQMR-CQSZACIVSA-N 1 0 388.354 2.701 20 0 GFADRO C[NH+](C)CC[C@H](NC(=O)NCCCn1cc(Br)cn1)C(C)(C)C ZINC000497552338 564871340 /nfs/dbraw/zinc/87/13/40/564871340.db2.gz AQQIICBONCXQMR-AWEZNQCLSA-N 1 0 388.354 2.701 20 0 GFADRO Fc1ccc([C@@H]2CN(CC[N@@H+]3CCCOCC3)CCO2)cc1Br ZINC000463203091 564871807 /nfs/dbraw/zinc/87/18/07/564871807.db2.gz NRBZLDUBWZPZJJ-KRWDZBQOSA-N 1 0 387.293 2.684 20 0 GFADRO COc1ccc(NC(=O)N2C[C@@H](SC)[C@@H]([NH+](C)C)C2)c(Br)c1 ZINC000497657005 564872585 /nfs/dbraw/zinc/87/25/85/564872585.db2.gz KOUYKVDXKYRLOF-UONOGXRCSA-N 1 0 388.331 2.967 20 0 GFADRO COc1cc(NC(=O)N2C[C@H](SC)[C@@H]([NH+](C)C)C2)ccc1Br ZINC000497660480 564872788 /nfs/dbraw/zinc/87/27/88/564872788.db2.gz JHNRHPPFJDLHNV-JSGCOSHPSA-N 1 0 388.331 2.967 20 0 GFADRO COCCOc1c(Cl)cccc1NC(=O)N1C[C@@H](SC)[C@@H]([NH+](C)C)C1 ZINC000497653306 564873206 /nfs/dbraw/zinc/87/32/06/564873206.db2.gz WBNUCLXEBQFBLS-LSDHHAIUSA-N 1 0 387.933 2.875 20 0 GFADRO O=C(NCc1cc(Br)cc2c1OCC2)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000463265428 564874627 /nfs/dbraw/zinc/87/46/27/564874627.db2.gz XVTBPFMOQSHCDM-MRXNPFEDSA-N 1 0 392.297 2.540 20 0 GFADRO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1cc(Br)cc2c1OCC2 ZINC000463254550 564874641 /nfs/dbraw/zinc/87/46/41/564874641.db2.gz FRQKHPFVKSOUFE-MLGOLLRUSA-N 1 0 394.313 2.762 20 0 GFADRO O=C(NCc1nc2c(cccc2Br)[nH]1)[C@@H](C1CC1)[NH+]1CCCC1 ZINC000583068866 564874700 /nfs/dbraw/zinc/87/47/00/564874700.db2.gz ADFUQVAFOQECLN-MRXNPFEDSA-N 1 0 377.286 2.816 20 0 GFADRO C[N@@H+]1CC[C@H]2CCN(C(=O)NCc3cc(Br)cc4c3OCC4)[C@H]2C1 ZINC000463266896 564875001 /nfs/dbraw/zinc/87/50/01/564875001.db2.gz OOZAZARJZIUIKJ-LRDDRELGSA-N 1 0 394.313 2.620 20 0 GFADRO CS[C@@H]1CN(C(=O)CCOc2cccc(Br)c2)C[C@@H]1[NH+](C)C ZINC000497801713 564877776 /nfs/dbraw/zinc/87/77/76/564877776.db2.gz AEWARIJOCBPHCK-LSDHHAIUSA-N 1 0 387.343 2.722 20 0 GFADRO C[N@@H+]1CCC[C@H](CNS(=O)(=O)c2cc(Br)cc3cccnc32)C1 ZINC000557820914 564878796 /nfs/dbraw/zinc/87/87/96/564878796.db2.gz ROOPQZHWIJHVNE-GFCCVEGCSA-N 1 0 398.326 2.617 20 0 GFADRO OC[C@@H]([C@H]([NH2+]C[C@H](O)COc1cccc(Br)c1)C1CC1)C1CC1 ZINC000583185759 564879721 /nfs/dbraw/zinc/87/97/21/564879721.db2.gz LLZACCGZIRGETD-CGTJXYLNSA-N 1 0 384.314 2.576 20 0 GFADRO Cn1ccc(N2CCC[C@@H]([N@H+](C)CCc3cccc(Br)c3)C2=O)n1 ZINC000463423051 564880375 /nfs/dbraw/zinc/88/03/75/564880375.db2.gz FUBGRZCJLFLKHK-MRXNPFEDSA-N 1 0 391.313 2.853 20 0 GFADRO O=S(=O)(c1ccc(Cl)s1)N1CCC[N@@H+](C[C@@H]2CCCC[C@H]2O)CC1 ZINC000583247353 564882682 /nfs/dbraw/zinc/88/26/82/564882682.db2.gz FDYJUFFQWGLASB-UONOGXRCSA-N 1 0 392.974 2.649 20 0 GFADRO Cc1ncc2n1C[C@H](C(=O)N[C@H](CCO)c1ccccc1Br)CC2 ZINC000583269541 564883164 /nfs/dbraw/zinc/88/31/64/564883164.db2.gz XIWLYNNPIQJRMW-CXAGYDPISA-N 1 0 392.297 2.756 20 0 GFADRO CC[C@@H]1C[N@H+](C)CCN1C(=O)C[C@@H](NC(C)=O)c1ccc(Br)cc1 ZINC000557920401 564885306 /nfs/dbraw/zinc/88/53/06/564885306.db2.gz VGTSTLJDANKROI-IAGOWNOFSA-N 1 0 396.329 2.569 20 0 GFADRO C[C@H]1CCCC[N@@H+]1CCC(=O)N[C@@H]1CN(c2ccc(Br)cc2)C1=O ZINC000557918085 564885668 /nfs/dbraw/zinc/88/56/68/564885668.db2.gz OCJPIPIQAWAAGZ-XJKSGUPXSA-N 1 0 394.313 2.545 20 0 GFADRO CCC[N@H+](CC)CCNC(=O)C(=O)N[C@H](C)Cc1ccc(Cl)cc1Cl ZINC000557951143 564886545 /nfs/dbraw/zinc/88/65/45/564886545.db2.gz KYTIUVKIWCZGFJ-CYBMUJFWSA-N 1 0 388.339 2.889 20 0 GFADRO CC(C)NS(=O)(=O)[C@@H]1CCN(Cc2c(Cl)cc(Cl)cc2N(C)C)C1 ZINC000583364083 564888257 /nfs/dbraw/zinc/88/82/57/564888257.db2.gz OBWYNSFHJIUBED-CYBMUJFWSA-N 1 0 394.368 2.962 20 0 GFADRO C[C@@H](CCC[NH3+])NS(=O)(=O)c1cccc(COCC(F)(F)C(F)F)c1 ZINC000583381030 564889574 /nfs/dbraw/zinc/88/95/74/564889574.db2.gz SGNHJPVTROUNQN-NSHDSACASA-N 1 0 386.411 2.509 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H]2CN(Cc3nc(Cc4cccc(Br)c4)no3)C[C@H]21 ZINC000583441300 564892280 /nfs/dbraw/zinc/89/22/80/564892280.db2.gz VRTFLWWISANQDP-FVQBIDKESA-N 1 0 391.313 2.982 20 0 GFADRO COc1sc(C[NH2+][C@H](C2CC2)[C@]2(CO)CCCO2)cc1Br ZINC000583456786 564892314 /nfs/dbraw/zinc/89/23/14/564892314.db2.gz YCGHKMQJYNLNSR-UKRRQHHQSA-N 1 0 376.316 2.929 20 0 GFADRO COCCO[C@@H]1COCC[C@H]1[NH2+][C@H](C)Cc1ccc(F)cc1Br ZINC000558110688 564892518 /nfs/dbraw/zinc/89/25/18/564892518.db2.gz BPISOQIZYRWXOU-CSMYWGQOSA-N 1 0 390.293 2.929 20 0 GFADRO C[C@@H]1C[NH+]([C@H]2CC(=O)N(c3ccc(I)cc3)C2=O)C[C@H]1C ZINC000530728388 564893419 /nfs/dbraw/zinc/89/34/19/564893419.db2.gz UMNWPIOIWFTSQV-GYSYKLTISA-N 1 0 398.244 2.511 20 0 GFADRO O=C([C@H]1CC[N@@H+](Cc2ccc(I)cc2)C1)N1CCCC1 ZINC000558148440 564893613 /nfs/dbraw/zinc/89/36/13/564893613.db2.gz WFSGOWIHTHQBNO-AWEZNQCLSA-N 1 0 384.261 2.736 20 0 GFADRO COc1cc(C)c(Br)cc1NC(=O)c1cc([C@@H]2CC[NH2+]C2)[nH]n1 ZINC000583501141 564894723 /nfs/dbraw/zinc/89/47/23/564894723.db2.gz WUPSRQKKPZOAQN-SNVBAGLBSA-N 1 0 379.258 2.818 20 0 GFADRO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)c2[nH]nc(C3CC3)c2Br)C1 ZINC000530819812 564895846 /nfs/dbraw/zinc/89/58/46/564895846.db2.gz HKBXTBSZCQPWLS-LBPRGKRZSA-N 1 0 381.318 2.854 20 0 GFADRO CCC[NH2+][C@@H](C)C(=O)Nc1cc(-c2ccc(Br)cc2)nn1CCO ZINC000583563372 564897523 /nfs/dbraw/zinc/89/75/23/564897523.db2.gz RRXJFTHLYHXMII-LBPRGKRZSA-N 1 0 395.301 2.632 20 0 GFADRO O=C(c1cc2c(c(Br)c1)OCO2)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000498525244 564900981 /nfs/dbraw/zinc/90/09/81/564900981.db2.gz GNNCHOBZZBGMDT-CYBMUJFWSA-N 1 0 381.270 2.878 20 0 GFADRO CC[NH2+]CCCNC(=O)C(=O)N[C@H](c1cccs1)c1ccc(Cl)cc1 ZINC000583683574 564902604 /nfs/dbraw/zinc/90/26/04/564902604.db2.gz PJJQNSBVTOKTCT-INIZCTEOSA-N 1 0 379.913 2.723 20 0 GFADRO CC[NH+](CC)CCS(=O)(=O)N[C@@H]1CSc2ccc(Br)cc21 ZINC000558487965 564903492 /nfs/dbraw/zinc/90/34/92/564903492.db2.gz ORNFRFBNKHFQAE-CYBMUJFWSA-N 1 0 393.372 2.857 20 0 GFADRO C[C@H]1CC[N@H+](C)CCN1C(=O)c1cnc(Sc2nccn2C)c(Cl)c1 ZINC000498729550 564906897 /nfs/dbraw/zinc/90/68/97/564906897.db2.gz NYXSCSMVHLIERW-LBPRGKRZSA-N 1 0 379.917 2.786 20 0 GFADRO O=S(=O)(c1cccs1)N1CC[C@H](C[NH2+]CC2Cc3ccccc3C2)C1 ZINC000558569287 564906916 /nfs/dbraw/zinc/90/69/16/564906916.db2.gz FLHZCIMXGLLLSD-OAHLLOKOSA-N 1 0 376.547 2.763 20 0 GFADRO C[C@H]1CC[N@H+](C)CCN1C(=O)c1cc(F)ccc1I ZINC000498730019 564907166 /nfs/dbraw/zinc/90/71/66/564907166.db2.gz XKTUXCVFTIXJCH-JTQLQIEISA-N 1 0 376.213 2.597 20 0 GFADRO CC[N@H+](C)CCNC(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000498741331 564907270 /nfs/dbraw/zinc/90/72/70/564907270.db2.gz UPZRFIPTZOSNGN-AWEZNQCLSA-N 1 0 386.323 2.914 20 0 GFADRO N#CN(CC(=O)NC1CC[NH+](C2CC2)CC1)c1ccc(F)c(Br)c1 ZINC000531344440 564907731 /nfs/dbraw/zinc/90/77/31/564907731.db2.gz CACCXDQBLZSREC-UHFFFAOYSA-N 1 0 395.276 2.619 20 0 GFADRO Cc1sc2ncnc(SCC(=O)NC[C@]3([NH+](C)C)CCSC3)c2c1C ZINC000531362890 564908659 /nfs/dbraw/zinc/90/86/59/564908659.db2.gz KKEHITIAIJNZCV-QGZVFWFLSA-N 1 0 396.607 2.954 20 0 GFADRO Cc1cc(Br)ccc1NCC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000531387438 564909514 /nfs/dbraw/zinc/90/95/14/564909514.db2.gz UJUZBUBPGWNXRS-INIZCTEOSA-N 1 0 398.345 2.642 20 0 GFADRO C[C@@H]1CC[N@H+](C)CCN1C(=O)Nc1ccc(S(C)(=O)=O)c(C(F)F)c1 ZINC000498888788 564912441 /nfs/dbraw/zinc/91/24/41/564912441.db2.gz DMSCTXXHTSPSFO-LLVKDONJSA-N 1 0 375.441 2.586 20 0 GFADRO CC[NH2+]CCCNC(=O)N[C@H](C)c1nc(-c2ccc(Br)cc2)no1 ZINC000583921271 564912855 /nfs/dbraw/zinc/91/28/55/564912855.db2.gz KBDHNNLMNSRFCJ-LLVKDONJSA-N 1 0 396.289 2.859 20 0 GFADRO O=C(NCC[C@@H]1CCC[NH2+]C1)N[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000583921121 564912942 /nfs/dbraw/zinc/91/29/42/564912942.db2.gz SHBCSFJWLKKUFK-HOCLYGCPSA-N 1 0 395.345 2.717 20 0 GFADRO CC(C)(Cc1ccc(C(F)(F)F)cc1)[NH2+]C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000558735005 564912967 /nfs/dbraw/zinc/91/29/67/564912967.db2.gz OBHDMODWAWVDSL-CQSZACIVSA-N 1 0 378.460 2.898 20 0 GFADRO C[N@@H+]1CCC[C@H](CNC(=O)C2CN(CC(F)(F)F)C2)[C@@H]1c1cccs1 ZINC000498915700 564913815 /nfs/dbraw/zinc/91/38/15/564913815.db2.gz BFWQNLQVNAUIQL-IUODEOHRSA-N 1 0 375.460 2.741 20 0 GFADRO C[N@@H+]1CCCC[C@@H]1CCN1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000531614497 564914790 /nfs/dbraw/zinc/91/47/90/564914790.db2.gz LOKPJFXZJJFOGI-QGZVFWFLSA-N 1 0 385.961 2.521 20 0 GFADRO C[N@H+](CC1CC1)C[C@H]1CCN(Cc2ncc(I)s2)C1 ZINC000584020542 564916881 /nfs/dbraw/zinc/91/68/81/564916881.db2.gz IJFJENFKWDSVDA-GFCCVEGCSA-N 1 0 391.322 2.911 20 0 GFADRO CC[C@@H]1C[N@H+](CC(=O)N2CCN(Cc3cccc(Cl)c3)CC2)CCS1 ZINC000464792030 564918286 /nfs/dbraw/zinc/91/82/86/564918286.db2.gz VPLTTZHBYMWLFR-GOSISDBHSA-N 1 0 381.973 2.812 20 0 GFADRO CSCC[C@@H](CO)NC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000531743534 564919095 /nfs/dbraw/zinc/91/90/95/564919095.db2.gz UIQLWYMAKWPDGF-YOEHRIQHSA-N 1 0 385.961 2.890 20 0 GFADRO COc1ccc(Br)cc1CNC(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000531771390 564920114 /nfs/dbraw/zinc/92/01/14/564920114.db2.gz VOWHMCMXZUPEGL-OAHLLOKOSA-N 1 0 382.302 2.836 20 0 GFADRO Cn1ccnc1Sc1ncc(C(=O)N2CCC[C@@H]2C[NH+](C)C)cc1Cl ZINC000464929964 564920828 /nfs/dbraw/zinc/92/08/28/564920828.db2.gz DDOVYCUNYMMBRM-CYBMUJFWSA-N 1 0 379.917 2.786 20 0 GFADRO Cc1ncc(Br)cc1NC(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000584096934 564920914 /nfs/dbraw/zinc/92/09/14/564920914.db2.gz QUWGXAASPFCHFP-UHFFFAOYSA-N 1 0 397.317 2.919 20 0 GFADRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NCCOc1ccc(Br)cc1 ZINC000531803661 564921117 /nfs/dbraw/zinc/92/11/17/564921117.db2.gz PBULWVJPUQBGSD-BLLLJJGKSA-N 1 0 382.302 2.610 20 0 GFADRO COC(=O)c1cc(C[NH+]2CCC(C(=O)NCC(F)(F)F)CC2)c(C)s1 ZINC000531801794 564921228 /nfs/dbraw/zinc/92/12/28/564921228.db2.gz PSLFYEYLOZCMMX-UHFFFAOYSA-N 1 0 378.416 2.734 20 0 GFADRO CCCSc1nsc(NC(=O)N2CC[NH+](CC3CCOCC3)CC2)n1 ZINC000531904928 564923651 /nfs/dbraw/zinc/92/36/51/564923651.db2.gz PZEXBSZDLQVMQK-UHFFFAOYSA-N 1 0 385.559 2.616 20 0 GFADRO COc1cccc(C(=O)NCC[NH2+][C@@H](C)c2ccc(Br)cn2)c1 ZINC000584207116 564924850 /nfs/dbraw/zinc/92/48/50/564924850.db2.gz HVOOPUNXUVCWTN-LBPRGKRZSA-N 1 0 378.270 2.933 20 0 GFADRO CC[N@@H+]1CCCN(C(=O)C(=O)NC[C@H](C)c2c(Cl)cccc2Cl)CC1 ZINC000584248825 564927112 /nfs/dbraw/zinc/92/71/12/564927112.db2.gz GLBSTAGRWIGTMC-ZDUSSCGKSA-N 1 0 386.323 2.767 20 0 GFADRO Ic1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1COCCO1)CCCO2 ZINC000532193874 564931455 /nfs/dbraw/zinc/93/14/55/564931455.db2.gz KNPJFGMSXNXEEA-OCCSQVGLSA-N 1 0 389.233 2.510 20 0 GFADRO C[NH+](C)C1(CNC(=O)C(=O)NCCc2c(Cl)cccc2Cl)CCCC1 ZINC000559398208 564932254 /nfs/dbraw/zinc/93/22/54/564932254.db2.gz UKUILFOKJHHEAP-UHFFFAOYSA-N 1 0 386.323 2.643 20 0 GFADRO Cc1ccccc1[C@H](C)[NH2+]Cc1ccc(S(=O)(=O)N2CCOCC2)s1 ZINC000532197986 564932463 /nfs/dbraw/zinc/93/24/63/564932463.db2.gz KCHXVSQKGQKUOV-HNNXBMFYSA-N 1 0 380.535 2.928 20 0 GFADRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)c1cc(Br)cnc1N(C)C ZINC000499677220 564933400 /nfs/dbraw/zinc/93/34/00/564933400.db2.gz BELOMTHKPQRQHF-CQSZACIVSA-N 1 0 383.334 2.904 20 0 GFADRO CN(c1ccccc1CNCc1n[nH]cc1Br)C1CC[NH+](C)CC1 ZINC000532359334 564935938 /nfs/dbraw/zinc/93/59/38/564935938.db2.gz BNJYYCGXHXKCKO-UHFFFAOYSA-N 1 0 392.345 2.992 20 0 GFADRO CC(C)[N@H+](C)Cc1cccc(CNC(=O)c2nn(C)cc2Br)c1 ZINC000559711427 564939224 /nfs/dbraw/zinc/93/92/24/564939224.db2.gz KGFMUDRLKVKUTO-UHFFFAOYSA-N 1 0 379.302 2.953 20 0 GFADRO C[C@H](CNC(=O)C(=O)Nc1cc(Cl)ccc1Br)[NH+]1CCCC1 ZINC000532530857 564939646 /nfs/dbraw/zinc/93/96/46/564939646.db2.gz QWHDSNPBUCZZAG-SNVBAGLBSA-N 1 0 388.693 2.642 20 0 GFADRO CC(C)(C)NS(=O)(=O)CC[NH2+][C@H]1CCc2sc(Br)cc21 ZINC000559744937 564939820 /nfs/dbraw/zinc/93/98/20/564939820.db2.gz NONSMWIFJYSKRT-JTQLQIEISA-N 1 0 381.361 2.805 20 0 GFADRO O=C(NCc1c(Cl)cccc1Cl)C(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000559804382 564940725 /nfs/dbraw/zinc/94/07/25/564940725.db2.gz JLMNXOXBWJLMPI-ZDUSSCGKSA-N 1 0 384.307 2.696 20 0 GFADRO CN(CCC[NH+]1CCCC1)[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000499949388 564941213 /nfs/dbraw/zinc/94/12/13/564941213.db2.gz DDPLJYFBKKZWPH-KRWDZBQOSA-N 1 0 380.330 2.972 20 0 GFADRO Cc1cc(Br)oc1C(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000499965640 564941700 /nfs/dbraw/zinc/94/17/00/564941700.db2.gz UQAMZGCGGKAJKF-GASCZTMLSA-N 1 0 398.345 2.981 20 0 GFADRO Cc1ccc(-c2csc(NC(=O)C(=O)N(C)CC[NH+]3CCCC3)n2)s1 ZINC000500021626 564943422 /nfs/dbraw/zinc/94/34/22/564943422.db2.gz XLYMSNQKJWUUOY-UHFFFAOYSA-N 1 0 378.523 2.673 20 0 GFADRO CC(C)(C)[C@@H](O)C[C@@H](CO)[NH2+]CC1=Cc2cc(Br)ccc2OC1 ZINC000560066333 564947794 /nfs/dbraw/zinc/94/77/94/564947794.db2.gz BSMXOZPIIKLJRR-RDJZCZTQSA-N 1 0 384.314 2.973 20 0 GFADRO CC[C@@H](O)[C@@H]1CCCC[N@@H+]1Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000532969376 564950929 /nfs/dbraw/zinc/95/09/29/564950929.db2.gz CKIJLGYBIJIXQX-LSDHHAIUSA-N 1 0 380.286 2.582 20 0 GFADRO C[N@@H+]1CCN(CCNCc2c(F)ccc(Br)c2F)CC1(C)C ZINC000500373765 564951785 /nfs/dbraw/zinc/95/17/85/564951785.db2.gz ZIUJHGHHTNLFLL-UHFFFAOYSA-N 1 0 376.289 2.843 20 0 GFADRO CSc1ccccc1[C@@H](C)[NH2+]Cc1cnn([C@]2(C)CCS(=O)(=O)C2)c1 ZINC000500452450 564953497 /nfs/dbraw/zinc/95/34/97/564953497.db2.gz QCYVOFSRNKQIBN-RDTXWAMCSA-N 1 0 379.551 2.990 20 0 GFADRO C[C@H]1CCC[N@H+](CCNC(=O)c2cccc(F)c2I)C1 ZINC000533085718 564953879 /nfs/dbraw/zinc/95/38/79/564953879.db2.gz DYHCWIWZZXPCET-NSHDSACASA-N 1 0 390.240 2.892 20 0 GFADRO Cc1cc(C[NH2+][C@@H]2CCC[C@@H]2CNS(C)(=O)=O)c(OC(F)F)cc1C ZINC000500492907 564955225 /nfs/dbraw/zinc/95/52/25/564955225.db2.gz CIXIGMFMMVEHIZ-UKRRQHHQSA-N 1 0 376.469 2.712 20 0 GFADRO COc1c(Cl)cc(NC(=O)C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@H]2C)cc1Cl ZINC000467094343 564955898 /nfs/dbraw/zinc/95/58/98/564955898.db2.gz YCVIILPLLRIUEK-OTYXRUKQSA-N 1 0 386.279 2.539 20 0 GFADRO CN(Cc1cc(Br)cs1)C(=O)C[N@H+](C)CC[C@H]1CCCO1 ZINC000467132762 564956972 /nfs/dbraw/zinc/95/69/72/564956972.db2.gz ZRTMPXXHHAVXNE-CYBMUJFWSA-N 1 0 375.332 2.970 20 0 GFADRO Cc1ccccc1C[NH+]1CCC(NS(=O)(=O)c2cncc(Cl)c2)CC1 ZINC000533176203 564957327 /nfs/dbraw/zinc/95/73/27/564957327.db2.gz SFEPIFQLYDSODK-UHFFFAOYSA-N 1 0 379.913 2.986 20 0 GFADRO CNC(=O)NC(=O)CC[N@H+](C)[C@@H]1CCSc2ccc(Br)cc21 ZINC000533281629 564959735 /nfs/dbraw/zinc/95/97/35/564959735.db2.gz IGFCPFOXQYUFIT-GFCCVEGCSA-N 1 0 386.315 2.764 20 0 GFADRO C[C@@H]1C[C@@H](C)[N@H+](CCC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2Cl)C1 ZINC000533292588 564960627 /nfs/dbraw/zinc/96/06/27/564960627.db2.gz AKKUYTMMQLMYNW-CHWSQXEVSA-N 1 0 387.933 2.649 20 0 GFADRO C[NH+]1CCC(CNC(=O)c2cc(Br)cnc2OCC2CC2)CC1 ZINC000560460777 564963314 /nfs/dbraw/zinc/96/33/14/564963314.db2.gz GNOPZLRAOZDVFQ-UHFFFAOYSA-N 1 0 382.302 2.705 20 0 GFADRO CC[NH+](CC)CCN(Cc1cccs1)C(=O)C1CN(CC(F)(F)F)C1 ZINC000500867188 564964472 /nfs/dbraw/zinc/96/44/72/564964472.db2.gz OKDVYMXEWAVEDR-UHFFFAOYSA-N 1 0 377.476 2.913 20 0 GFADRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NS(=O)(=O)c1ccc(Br)cc1Cl ZINC000467509502 564965595 /nfs/dbraw/zinc/96/55/95/564965595.db2.gz GAVZZLAZVFKMNF-RNCFNFMXSA-N 1 0 393.734 2.864 20 0 GFADRO C[C@H](Cc1ccc(O)cc1)[NH2+][C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000560525806 564966427 /nfs/dbraw/zinc/96/64/27/564966427.db2.gz YVNJTLJTKMCODI-GDBMZVCRSA-N 1 0 380.535 2.828 20 0 GFADRO CC(C)[NH+]1CCN([C@H]2CCN(Cc3cccc(O)c3Br)C2)CC1 ZINC000560576076 564968258 /nfs/dbraw/zinc/96/82/58/564968258.db2.gz FIDKABRFFJSINM-INIZCTEOSA-N 1 0 382.346 2.755 20 0 GFADRO C[C@H]1CCCN1C(=O)CC[NH2+]C(C)(C)COc1ncccc1Br ZINC000501055816 564969290 /nfs/dbraw/zinc/96/92/90/564969290.db2.gz XGZNDEQNEHADKZ-ZDUSSCGKSA-N 1 0 384.318 2.992 20 0 GFADRO CN(CCC[NH+]1CCCC1)C(=O)c1cc(I)ccc1F ZINC000467668136 564969599 /nfs/dbraw/zinc/96/95/99/564969599.db2.gz OTDYXSLAIPMHNA-UHFFFAOYSA-N 1 0 390.240 2.988 20 0 GFADRO O=C(NC[C@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1)c1cscc1Br ZINC000560615001 564969972 /nfs/dbraw/zinc/96/99/72/564969972.db2.gz KLWPRLPAGYTQDB-ZIAGYGMSSA-N 1 0 395.322 2.876 20 0 GFADRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N[C@@H](C)c1ccc(Br)cc1 ZINC000560671248 564971820 /nfs/dbraw/zinc/97/18/20/564971820.db2.gz NARSECRYTJNURF-XJKSGUPXSA-N 1 0 396.329 2.617 20 0 GFADRO CC(C)[NH+](CCCNS(=O)(=O)c1cc2c(cc1Cl)OCCO2)C(C)C ZINC000467785145 564972500 /nfs/dbraw/zinc/97/25/00/564972500.db2.gz ROKVSVVDPFUACF-UHFFFAOYSA-N 1 0 390.933 2.898 20 0 GFADRO C[N@H+](CC1CC1)C[C@H]1CCN(S(=O)(=O)c2ccccc2Br)C1 ZINC000467780723 564972559 /nfs/dbraw/zinc/97/25/59/564972559.db2.gz UHKWXNSPZQARNK-CQSZACIVSA-N 1 0 387.343 2.802 20 0 GFADRO C[NH+]1CCN(c2ccc(Br)cc2NC(=O)[C@]2(C)CCCO2)CC1 ZINC000501246095 564974627 /nfs/dbraw/zinc/97/46/27/564974627.db2.gz YYYOCPJIDKOJMK-KRWDZBQOSA-N 1 0 382.302 2.709 20 0 GFADRO COCC[C@@H](NC(=O)[C@H]1C[N@@H+]2CCN1CCC2)c1ccc(Cl)c(Cl)c1 ZINC000560797010 564977067 /nfs/dbraw/zinc/97/70/67/564977067.db2.gz JCAQWYPVTFGZPC-IAGOWNOFSA-N 1 0 386.323 2.577 20 0 GFADRO COc1ccc([C@@H](C[NH+](C)C)NC(=O)c2c[nH]c(=O)c(Br)c2)cc1 ZINC000560842615 564977524 /nfs/dbraw/zinc/97/75/24/564977524.db2.gz APYSJFYLUOBGHF-OAHLLOKOSA-N 1 0 394.269 2.591 20 0 GFADRO CS[C@@H]1CN(C(=O)[C@@H](C)Oc2ccc(Br)cc2)C[C@H]1[NH+](C)C ZINC000534093334 564979425 /nfs/dbraw/zinc/97/94/25/564979425.db2.gz KWBADXPABDFMRN-KCPJHIHWSA-N 1 0 387.343 2.720 20 0 GFADRO C[C@H](NC(=O)NCC[C@H]1CCC[NH2+]1)c1cc2c(cc1Br)OCCO2 ZINC000561137471 564984616 /nfs/dbraw/zinc/98/46/16/564984616.db2.gz IZVRXPFDHTVPBK-NWDGAFQWSA-N 1 0 398.301 2.723 20 0 GFADRO CCc1n[nH]c(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1Br ZINC000468498820 564985188 /nfs/dbraw/zinc/98/51/88/564985188.db2.gz RNKSLQIPQRFKBA-CYBMUJFWSA-N 1 0 377.286 2.739 20 0 GFADRO C[C@@H](C(=O)N1CCN(C(=O)c2cccc(Cl)c2Cl)CC1)[NH+]1CC(C)C1 ZINC000561158592 564986180 /nfs/dbraw/zinc/98/61/80/564986180.db2.gz GLBHIRGPCJQXMN-ZDUSSCGKSA-N 1 0 384.307 2.618 20 0 GFADRO CC[NH+](CC)C[C@@H](C)NC(=O)COc1cccc(I)c1 ZINC000468876834 564997579 /nfs/dbraw/zinc/99/75/79/564997579.db2.gz GEJXTCPXYDLNDF-GFCCVEGCSA-N 1 0 390.265 2.517 20 0 GFADRO C[C@@H](C[NH+]1CCOCC1)C(=O)NCCCOc1ccc(Cl)cc1Cl ZINC000502037975 564990323 /nfs/dbraw/zinc/99/03/23/564990323.db2.gz UFBAJVXRJMPGKR-ZDUSSCGKSA-N 1 0 375.296 2.847 20 0 GFADRO COC(=O)c1csc(S(=O)(=O)NCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)c1 ZINC000502174545 564993196 /nfs/dbraw/zinc/99/31/96/564993196.db2.gz POZDCOLEKMWWDK-ZIAGYGMSSA-N 1 0 388.555 2.571 20 0 GFADRO C[C@H](NC(=O)C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C)c1cccc(Cl)c1Cl ZINC000502299263 564995755 /nfs/dbraw/zinc/99/57/55/564995755.db2.gz WLUJGUKWXQIJKE-ZIBATOQPSA-N 1 0 384.307 2.770 20 0 GFADRO CS[C@H]1CN(C(=O)CSc2ccc(C(F)(F)F)cn2)C[C@@H]1[NH+](C)C ZINC000534827536 564997446 /nfs/dbraw/zinc/99/74/46/564997446.db2.gz NGLRPJOFSDGXDQ-RYUDHWBXSA-N 1 0 379.473 2.697 20 0 GFADRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)S(=O)(=O)Cc1ccccc1Br ZINC000561518194 564997600 /nfs/dbraw/zinc/99/76/00/564997600.db2.gz UXFXMANZFSAAPM-IUODEOHRSA-N 1 0 375.332 2.551 20 0 GFADRO C[NH+](C)C1CCN(c2ccc(NC(=O)CSCC(F)(F)F)nc2)CC1 ZINC000534888551 564998765 /nfs/dbraw/zinc/99/87/65/564998765.db2.gz VCGLPZDVDXVBCM-UHFFFAOYSA-N 1 0 376.448 2.846 20 0 GFADRO CS[C@@H]1CN(S(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)C[C@H]1[NH+](C)C ZINC000534907909 564999527 /nfs/dbraw/zinc/99/95/27/564999527.db2.gz QTXJLSRIYBRVMU-CHWSQXEVSA-N 1 0 386.436 2.511 20 0 GFADRO NC(=O)CCC1CC[NH+](C[C@@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000502532246 565001258 /nfs/dbraw/zinc/00/12/58/565001258.db2.gz XLYJXMMOUCCXKA-CYBMUJFWSA-N 1 0 375.296 2.711 20 0 GFADRO COc1ccc(-c2nc(C(=O)N3C[C@@H](SC)[C@@H]([NH+](C)C)C3)cs2)cc1 ZINC000535000595 565002424 /nfs/dbraw/zinc/00/24/24/565002424.db2.gz NYKZPCNJHKKMMG-JKSUJKDBSA-N 1 0 377.535 2.936 20 0 GFADRO CC[N@@H+]1C[C@@H](C)N(C(=O)c2cccc(F)c2I)C[C@H]1C ZINC000535028666 565003081 /nfs/dbraw/zinc/00/30/81/565003081.db2.gz HBNSAEZPSFUJSI-GHMZBOCLSA-N 1 0 390.240 2.985 20 0 GFADRO O[C@@H](C[NH2+][C@H]1CCC12CCC2)COc1ccc(I)cc1 ZINC000502701397 565003788 /nfs/dbraw/zinc/00/37/88/565003788.db2.gz UASJKOASBSDPDX-ZFWWWQNUSA-N 1 0 387.261 2.953 20 0 GFADRO C[C@@H]1CN(C(=O)c2ccc(-n3cc(Br)cn3)cc2)[C@@H](C)C[N@@H+]1C ZINC000535073556 565004579 /nfs/dbraw/zinc/00/45/79/565004579.db2.gz UFGPIARCWULLTL-OLZOCXBDSA-N 1 0 377.286 2.799 20 0 GFADRO COc1ccc(Br)c(CNC(=O)N2CC[NH+](C3CCC3)CC2)c1 ZINC000502813926 565006167 /nfs/dbraw/zinc/00/61/67/565006167.db2.gz PUVMPSQJIVHOJK-UHFFFAOYSA-N 1 0 382.302 2.837 20 0 GFADRO COc1ccccc1-c1nc(CSc2nnnn2CC[NH+](C)C)cs1 ZINC000502838589 565006986 /nfs/dbraw/zinc/00/69/86/565006986.db2.gz BZXYBHQTLRALOH-UHFFFAOYSA-N 1 0 376.511 2.659 20 0 GFADRO OCC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000502868158 565007771 /nfs/dbraw/zinc/00/77/71/565007771.db2.gz HEBQPZYMVKZJDE-LNSITVRQSA-N 1 0 392.721 2.983 20 0 GFADRO CS[C@H]1CN(S(=O)(=O)c2ccc(F)cc2C(F)(F)F)C[C@@H]1[NH+](C)C ZINC000503206587 565013570 /nfs/dbraw/zinc/01/35/70/565013570.db2.gz HKBCGRAJFQPVAS-RYUDHWBXSA-N 1 0 386.436 2.511 20 0 GFADRO COc1ccc(S(=O)(=O)N2C[C@@H](SC)[C@H]([NH+](C)C)C2)c(Cl)c1Cl ZINC000503218777 565014534 /nfs/dbraw/zinc/01/45/34/565014534.db2.gz LFWWUBLZMCOGCM-MWLCHTKSSA-N 1 0 399.365 2.668 20 0 GFADRO CC[C@@H](C)[N@H+](C)CCNS(=O)(=O)c1cc(Cl)ccc1O[C@@H](C)COC ZINC000469364582 565014749 /nfs/dbraw/zinc/01/47/49/565014749.db2.gz PUAJZVDWPIKEPD-KGLIPLIRSA-N 1 0 392.949 2.762 20 0 GFADRO CS[C@H]1CN(S(=O)(=O)c2cc(C(F)(F)F)ccc2C)C[C@H]1[NH+](C)C ZINC000503244987 565015914 /nfs/dbraw/zinc/01/59/14/565015914.db2.gz UJRZHYXXDGFUNQ-OLZOCXBDSA-N 1 0 382.473 2.680 20 0 GFADRO CS[C@@H]1CN(S(=O)(=O)c2cc(Cl)sc2Cl)C[C@@H]1[NH+](C)C ZINC000503244939 565016324 /nfs/dbraw/zinc/01/63/24/565016324.db2.gz SKMRIJOHEYLQDL-JGVFFNPUSA-N 1 0 375.368 2.721 20 0 GFADRO CCOC(=O)c1sc(NC(=O)C[NH2+][C@@H]2CCC[C@H]2OC(F)F)cc1C ZINC000503393794 565018657 /nfs/dbraw/zinc/01/86/57/565018657.db2.gz AOIHYRGRNOYNDK-GHMZBOCLSA-N 1 0 376.425 2.922 20 0 GFADRO C[C@@H]1C[C@]1([NH2+]CCOc1ccc(S(N)(=O)=O)cc1)c1ccc(Cl)cc1 ZINC000503407800 565018693 /nfs/dbraw/zinc/01/86/93/565018693.db2.gz QPQQFJFWSQQDPK-FZKQIMNGSA-N 1 0 380.897 2.891 20 0 GFADRO CC[NH+](CC)CC[C@H](CO)NC(=O)[C@H](C)c1ccc(Br)s1 ZINC000535835647 565023141 /nfs/dbraw/zinc/02/31/41/565023141.db2.gz HNUUCPHDEQTJPA-VXGBXAGGSA-N 1 0 377.348 2.823 20 0 GFADRO CC[C@H](C[N@H+](C)[C@H](C)C(=O)NCC(=O)OC)Oc1ccc(Cl)c(Cl)c1 ZINC000469755754 565026500 /nfs/dbraw/zinc/02/65/00/565026500.db2.gz IKWQHIMKOHVFTD-VXGBXAGGSA-N 1 0 391.295 2.760 20 0 GFADRO C[C@H](CO)[N@@H+]1CCCN(Cc2cccc(Br)c2OC(F)F)CC1 ZINC000469843378 565029180 /nfs/dbraw/zinc/02/91/80/565029180.db2.gz REBCSWVVBZCQNT-GFCCVEGCSA-N 1 0 393.272 2.939 20 0 GFADRO C[C@H](CO)[N@@H+]1CCCN(Cc2nnc(-c3ccc(Cl)cc3Cl)o2)CC1 ZINC000469848450 565029350 /nfs/dbraw/zinc/02/93/50/565029350.db2.gz JXCQHVIDYRBXAB-GFCCVEGCSA-N 1 0 385.295 2.932 20 0 GFADRO C[C@H](Cc1ccc(Br)c(F)c1)[NH2+]CC1(OCCO)CCOCC1 ZINC000503854498 565029420 /nfs/dbraw/zinc/02/94/20/565029420.db2.gz HUMBPGNLUBYNQV-CYBMUJFWSA-N 1 0 390.293 2.667 20 0 GFADRO C[C@@H]1OCC[C@H]1C(=O)Nc1cc(Br)ccc1N1CC[NH+](C)CC1 ZINC000536143541 565030704 /nfs/dbraw/zinc/03/07/04/565030704.db2.gz HELNDSWSESYCFT-GXTWGEPZSA-N 1 0 382.302 2.564 20 0 GFADRO O=S(=O)(NCC1CC[NH+](C2CC2)CC1)c1ccc(OC(F)(F)F)cc1 ZINC000562472373 565030808 /nfs/dbraw/zinc/03/08/08/565030808.db2.gz DAHJGUBPCFCKPZ-UHFFFAOYSA-N 1 0 378.416 2.738 20 0 GFADRO COC(=O)[C@@H]1CC[N@H+](CCC(=O)Nc2ccc(Br)cc2F)[C@H]1C ZINC000469999394 565034462 /nfs/dbraw/zinc/03/44/62/565034462.db2.gz APWPJADHXHFLKP-CMPLNLGQSA-N 1 0 387.249 2.800 20 0 GFADRO C[C@H](CO)[N@@H+]1CCCN(C(=O)CCOc2ccc(Cl)c(Cl)c2)CC1 ZINC000470041457 565035516 /nfs/dbraw/zinc/03/55/16/565035516.db2.gz BSJJUPDBMIAOBU-CYBMUJFWSA-N 1 0 375.296 2.677 20 0 GFADRO C[C@@H]1C[N@H+](CCCNC(=O)COc2cc(Cl)cc(Cl)c2)CCCO1 ZINC000470066929 565037114 /nfs/dbraw/zinc/03/71/14/565037114.db2.gz PVQNUGSEYKILDJ-CYBMUJFWSA-N 1 0 375.296 2.989 20 0 GFADRO C[C@@H]1CN(C(=O)NC[C@H](c2ccsc2)[NH+](C)C)CCN1CC(F)(F)F ZINC000536500965 565038967 /nfs/dbraw/zinc/03/89/67/565038967.db2.gz CQOLRPPJHRGCNX-TZMCWYRMSA-N 1 0 378.464 2.629 20 0 GFADRO CC(=O)N[C@H](CC(=O)N1CC[N@@H+](C)[C@@H](C)[C@H]1C)c1ccc(Br)cc1 ZINC000536601310 565042304 /nfs/dbraw/zinc/04/23/04/565042304.db2.gz FKJWPJKYTUAANA-OGHNNQOOSA-N 1 0 396.329 2.567 20 0 GFADRO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@@H]1C[C@H]2CCCCN2C1=O ZINC000562784411 565043135 /nfs/dbraw/zinc/04/31/35/565043135.db2.gz OKBHCIUFAIQFKP-DAXOMENPSA-N 1 0 394.313 2.909 20 0 GFADRO O=C(N[C@@H](c1cncc(Br)c1)C1CC1)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000562810421 565043840 /nfs/dbraw/zinc/04/38/40/565043840.db2.gz MVVLUWPPKLHJOG-GVDBMIGSSA-N 1 0 393.329 2.983 20 0 GFADRO C[C@@H](NC(=O)N1CCC([C@@H]2[NH2+]CC2(C)C)CC1)c1ncc(Br)cn1 ZINC000562818493 565043907 /nfs/dbraw/zinc/04/39/07/565043907.db2.gz QWKLTNVWZIDIFI-RISCZKNCSA-N 1 0 396.333 2.720 20 0 GFADRO O=C(NCC1CC[NH2+]CC1)C(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000562831575 565044763 /nfs/dbraw/zinc/04/47/63/565044763.db2.gz AHBAWOSOWZHUMX-MRXNPFEDSA-N 1 0 384.307 2.773 20 0 GFADRO O=C(NCC1CC[NH2+]CC1)C(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000562831574 565044804 /nfs/dbraw/zinc/04/48/04/565044804.db2.gz AHBAWOSOWZHUMX-INIZCTEOSA-N 1 0 384.307 2.773 20 0 GFADRO CSCC[C@H](CO)[NH2+][C@@H](C)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000536848382 565048162 /nfs/dbraw/zinc/04/81/62/565048162.db2.gz XCLHWKXMHYEDJQ-DOTOQJQBSA-N 1 0 386.583 2.626 20 0 GFADRO COCC[C@H](Cc1cccc(Br)c1)C(=O)N1CC[C@@H]([NH3+])C[C@H]1C ZINC000562971703 565049897 /nfs/dbraw/zinc/04/98/97/565049897.db2.gz UVDQPTMATPHRHQ-FRFSOERESA-N 1 0 383.330 2.983 20 0 GFADRO O=C(C[C@H]1CSCC[NH2+]1)N1CCC(Oc2cccc(Br)c2)CC1 ZINC000562976434 565050775 /nfs/dbraw/zinc/05/07/75/565050775.db2.gz GGKGHDKSGAFIIB-AWEZNQCLSA-N 1 0 399.354 2.914 20 0 GFADRO O[C@@H](C[NH2+]CCc1cnc(C2CC2)nc1)COc1cccc(Br)c1 ZINC000562992489 565051091 /nfs/dbraw/zinc/05/10/91/565051091.db2.gz YUDAQYOAINIGCY-INIZCTEOSA-N 1 0 392.297 2.689 20 0 GFADRO O=C(CC[NH2+]C[C@@H]1CS(=O)(=O)c2ccccc21)Nc1cccc(Cl)c1 ZINC000563001516 565051521 /nfs/dbraw/zinc/05/15/21/565051521.db2.gz WBOSPYIABPYEBZ-CYBMUJFWSA-N 1 0 378.881 2.829 20 0 GFADRO CC(C)N1CCN(C(=O)C2(c3cccc(Br)c3)CC(=O)C2)CC1 ZINC000537020181 565051671 /nfs/dbraw/zinc/05/16/71/565051671.db2.gz LIJSKJUHFIBGRA-UHFFFAOYSA-N 1 0 379.298 2.602 20 0 GFADRO O=S(=O)(c1cscn1)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000563063043 565054314 /nfs/dbraw/zinc/05/43/14/565054314.db2.gz LYHVPQFHVOVZRC-IAGOWNOFSA-N 1 0 377.535 2.818 20 0 GFADRO COC[C@]1(CNC(=O)c2ccccc2SCc2cscn2)CCC[NH2+]1 ZINC000563107416 565055955 /nfs/dbraw/zinc/05/59/55/565055955.db2.gz GAWFMXUFIHPNGA-GOSISDBHSA-N 1 0 377.535 2.934 20 0 GFADRO C[C@H]([NH2+]Cc1ccnc(N(C)C)n1)c1ccc(I)cc1 ZINC000537304773 565056863 /nfs/dbraw/zinc/05/68/63/565056863.db2.gz UWSNOSZREUERBE-NSHDSACASA-N 1 0 382.249 2.998 20 0 GFADRO C[NH+](C)[C@@]1(CNC(=O)Nc2ccnc(OCC(F)(F)F)c2)CCSC1 ZINC000537388374 565057686 /nfs/dbraw/zinc/05/76/86/565057686.db2.gz DQZUQWFNQDWWIZ-CQSZACIVSA-N 1 0 378.420 2.582 20 0 GFADRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)NCC(=O)Nc1cccc(Br)c1 ZINC000537602038 565059976 /nfs/dbraw/zinc/05/99/76/565059976.db2.gz SPRDIQFJMLEFFR-OAHLLOKOSA-N 1 0 397.317 2.561 20 0 GFADRO O=C(NCC1(c2ccc(Cl)cc2Cl)CCC1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000537723898 565062071 /nfs/dbraw/zinc/06/20/71/565062071.db2.gz NYTCKNOSLCVKNB-QGZVFWFLSA-N 1 0 382.335 2.921 20 0 GFADRO C[C@@H]1C[N@H+](C[C@@H](O)COc2ccc(Cl)c(Cl)c2)C[C@@]2(CCOC2)O1 ZINC000684626623 565076702 /nfs/dbraw/zinc/07/67/02/565076702.db2.gz LDYDDTOGHVTYSX-PBFPGSCMSA-N 1 0 376.280 2.613 20 0 GFADRO C[N@@H+]1CC[C@@H](CC(=O)Nc2cc(Br)cc(C(=O)N3CCCC3)c2)C1 ZINC000635873459 565078402 /nfs/dbraw/zinc/07/84/02/565078402.db2.gz BLSOIMFSXPSBTQ-ZDUSSCGKSA-N 1 0 394.313 2.965 20 0 GFADRO O=C(c1cc(Br)cc(N2CCCC2)c1)N1CC[NH+]2CCC1CC2 ZINC000613862271 565083742 /nfs/dbraw/zinc/08/37/42/565083742.db2.gz WGPKPOOKDQLNPN-UHFFFAOYSA-N 1 0 378.314 2.970 20 0 GFADRO C[N@@H+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)c1cc(F)c(Cl)c(N)c1Cl ZINC000635960921 565084308 /nfs/dbraw/zinc/08/43/08/565084308.db2.gz ZBUWNLNDZUOSGU-NEPJUHHUSA-N 1 0 376.259 2.650 20 0 GFADRO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+]C[C@H](O)COc2ccccc2)c1 ZINC000584525213 565085388 /nfs/dbraw/zinc/08/53/88/565085388.db2.gz XVVWWVCVVVRDON-INIZCTEOSA-N 1 0 383.897 2.663 20 0 GFADRO C[C@@H](Cn1cc(Br)cn1)[NH2+]Cc1ccncc1OCCC[NH+](C)C ZINC000584553216 565088224 /nfs/dbraw/zinc/08/82/24/565088224.db2.gz KVJOAOXAEBQZMO-AWEZNQCLSA-N 1 0 396.333 2.549 20 0 GFADRO CC(C)[C@H]1CN(C(=O)[C@@H]2CCO[C@H]2c2cncc(Br)c2)CC[N@@H+]1C ZINC000613969234 565088302 /nfs/dbraw/zinc/08/83/02/565088302.db2.gz YHCKSENTQXMBSW-ZACQAIPSSA-N 1 0 396.329 2.720 20 0 GFADRO O=S(=O)(NC1CC[NH+](CCOc2ccc(F)cc2)CC1)c1ccsc1 ZINC000584581899 565089672 /nfs/dbraw/zinc/08/96/72/565089672.db2.gz IIGWMRMFNXMFJV-UHFFFAOYSA-N 1 0 384.498 2.709 20 0 GFADRO CC(C)Oc1cc(C(=O)N2CCC[C@](O)(C[NH+](C)C)C2)ccc1Br ZINC000614070090 565093583 /nfs/dbraw/zinc/09/35/83/565093583.db2.gz DDTZYGFJOQUHGH-SFHVURJKSA-N 1 0 399.329 2.765 20 0 GFADRO O[C@H](COc1ccc(Cl)cc1Br)C[N@@H+]1CCC[C@@H]2COC[C@@H]21 ZINC000657305339 565095832 /nfs/dbraw/zinc/09/58/32/565095832.db2.gz YQHYCGMIOXHRIU-ZLDLUXBVSA-N 1 0 390.705 2.953 20 0 GFADRO CNS(=O)(=O)CCC[N@@H+]1CCCC[C@@H]1Cc1ccccc1Br ZINC000584794179 565099017 /nfs/dbraw/zinc/09/90/17/565099017.db2.gz RQYCAVGVVGVJTO-OAHLLOKOSA-N 1 0 389.359 2.785 20 0 GFADRO Cc1c(Br)cncc1C[NH2+]Cc1ccc2c(c1)CCS2(=O)=O ZINC000657395465 565099632 /nfs/dbraw/zinc/09/96/32/565099632.db2.gz VDOCOCMQQOSZMX-UHFFFAOYSA-N 1 0 381.295 2.772 20 0 GFADRO C[NH+](C)CCCOc1cnccc1CNCc1c(F)cncc1Br ZINC000657468274 565102414 /nfs/dbraw/zinc/10/24/14/565102414.db2.gz HTPBRNCEBHRTOD-UHFFFAOYSA-N 1 0 397.292 2.999 20 0 GFADRO Cc1c(Br)cncc1C[NH2+]C[C@@H]1CS(=O)(=O)c2ccccc21 ZINC000657476407 565103306 /nfs/dbraw/zinc/10/33/06/565103306.db2.gz HJVRQQDDUJZNOA-CYBMUJFWSA-N 1 0 381.295 2.813 20 0 GFADRO CS(=O)(=O)N[C@@H]1CCCC[C@@H]1C[NH2+]Cc1cccc(F)c1OC(F)F ZINC000657464962 565103388 /nfs/dbraw/zinc/10/33/88/565103388.db2.gz UHUXCJQOKCNTJT-BXUZGUMPSA-N 1 0 380.432 2.625 20 0 GFADRO Brc1cnn(CCC[NH2+]Cc2ccc(O[C@@H]3CCOC3)cc2)c1 ZINC000657466146 565103562 /nfs/dbraw/zinc/10/35/62/565103562.db2.gz BTFGJYVYTXZCJG-QGZVFWFLSA-N 1 0 380.286 2.993 20 0 GFADRO CC[C@@H]1C[N@H+](C)CCCN1C(=O)c1cc(Br)cc2c1OCCO2 ZINC000614333524 565107887 /nfs/dbraw/zinc/10/78/87/565107887.db2.gz KRYUXCYBIWJETR-CYBMUJFWSA-N 1 0 383.286 2.777 20 0 GFADRO CO[C@@H](C[NH2+]Cc1cc(Br)c2c(c1)OCCCO2)[C@@H]1CCOC1 ZINC000657544839 565107948 /nfs/dbraw/zinc/10/79/48/565107948.db2.gz QEWUUEZBPWJPFT-CJNGLKHVSA-N 1 0 386.286 2.752 20 0 GFADRO O=C(Cc1ccc(F)cc1Br)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000614435223 565112172 /nfs/dbraw/zinc/11/21/72/565112172.db2.gz BUNZSLDXFJLFEI-MRXNPFEDSA-N 1 0 399.304 2.844 20 0 GFADRO Brc1ccccc1-n1cc(C[NH2+]CCCOC[C@@H]2CCCO2)nn1 ZINC000685612387 565115533 /nfs/dbraw/zinc/11/55/33/565115533.db2.gz KMPMEXKNVRHMBJ-HNNXBMFYSA-N 1 0 395.301 2.705 20 0 GFADRO CC[C@@H](CNCc1cn(-c2ccccc2Br)nn1)[NH+]1CCCC1 ZINC000685612849 565115738 /nfs/dbraw/zinc/11/57/38/565115738.db2.gz TXCMGSQGPPHZQR-HNNXBMFYSA-N 1 0 378.318 2.994 20 0 GFADRO COc1c(Cl)cc(NC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1Cl ZINC000587344998 565121383 /nfs/dbraw/zinc/12/13/83/565121383.db2.gz RSNBVNMPZIZVAE-PWSUYJOCSA-N 1 0 386.279 2.684 20 0 GFADRO CSc1ccc(C[NH2+]C[C@]2(CO)COCCN2Cc2ccccc2)s1 ZINC000657745059 565126297 /nfs/dbraw/zinc/12/62/97/565126297.db2.gz PDBIHHLGTBPVRJ-IBGZPJMESA-N 1 0 378.563 2.823 20 0 GFADRO C[NH+](C)CC[C@H](NC(=O)c1cc2ncc(Br)cn2n1)C(C)(C)C ZINC000636869975 565128886 /nfs/dbraw/zinc/12/88/86/565128886.db2.gz HBOAJMQVYYJKOG-ZDUSSCGKSA-N 1 0 382.306 2.588 20 0 GFADRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1cc(Br)cc2c1OCCO2 ZINC000614725036 565130533 /nfs/dbraw/zinc/13/05/33/565130533.db2.gz PKAPASCCEZEDNR-TZMCWYRMSA-N 1 0 395.297 2.919 20 0 GFADRO Cc1ccccc1[C@@H]([C@@H](C)Nc1cnn(C)c(=O)c1Br)[NH+](C)C ZINC000685921209 565131282 /nfs/dbraw/zinc/13/12/82/565131282.db2.gz OHGDSBUKRAIIQE-MLGOLLRUSA-N 1 0 379.302 2.955 20 0 GFADRO C[C@@H]1C[N@@H+](CC2CCN(C(=O)c3cc(Br)c[nH]3)CC2)C[C@H](C)O1 ZINC000588655801 565136206 /nfs/dbraw/zinc/13/62/06/565136206.db2.gz STAYQAVQDWKCAP-BETUJISGSA-N 1 0 384.318 2.739 20 0 GFADRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)C(=O)Nc1cccc(Br)c1F ZINC000657953521 565139429 /nfs/dbraw/zinc/13/94/29/565139429.db2.gz PHQXOWINMJJRSY-SMDDNHRTSA-N 1 0 398.276 2.612 20 0 GFADRO Cc1csc(C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)c1I ZINC000615760834 565172309 /nfs/dbraw/zinc/17/23/09/565172309.db2.gz HSXRUSTVOUCSSJ-NSHDSACASA-N 1 0 390.290 2.875 20 0 GFADRO C[C@H]1COCC[N@@H+]1C1CCN(C(=O)Cc2ccc(Br)cc2F)CC1 ZINC000615086465 565143911 /nfs/dbraw/zinc/14/39/11/565143911.db2.gz FKSNLIYLEJNRSH-ZDUSSCGKSA-N 1 0 399.304 2.842 20 0 GFADRO CCn1cc(Br)cc1C(=O)N1CCC([N@@H+]2CCOC[C@@H]2C)CC1 ZINC000615091693 565145155 /nfs/dbraw/zinc/14/51/55/565145155.db2.gz MELPIYPTEJOVPV-ZDUSSCGKSA-N 1 0 384.318 2.596 20 0 GFADRO CC(C)[C@@H]([NH2+][C@H]1CCN(S(C)(=O)=O)C1)c1cc(F)cc(Br)c1 ZINC000658048215 565148404 /nfs/dbraw/zinc/14/84/04/565148404.db2.gz WNNMXDYPYHXRCB-LSDHHAIUSA-N 1 0 393.322 2.909 20 0 GFADRO C[C@H](C[NH2+][C@H](C)c1ccc(Br)c(S(N)(=O)=O)c1)c1ccccn1 ZINC000658067836 565149286 /nfs/dbraw/zinc/14/92/86/565149286.db2.gz ZMENJLFPUKKXQB-VXGBXAGGSA-N 1 0 398.326 2.946 20 0 GFADRO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)c2cc(-c3cccc(Br)c3)no2)C1 ZINC000615182105 565149622 /nfs/dbraw/zinc/14/96/22/565149622.db2.gz GDWXIDSHCUNXGQ-WFASDCNBSA-N 1 0 376.254 2.880 20 0 GFADRO Cc1cc(NC(=O)C(=O)NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)ccc1Br ZINC000658119875 565150084 /nfs/dbraw/zinc/15/00/84/565150084.db2.gz NPTNPSYUBDEBSE-ZDUSSCGKSA-N 1 0 396.329 2.933 20 0 GFADRO CC[C@H]([NH2+]CCO[C@@H]1CC1(F)F)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000658169546 565154359 /nfs/dbraw/zinc/15/43/59/565154359.db2.gz GRKZYVCVWNURHF-GXTWGEPZSA-N 1 0 382.860 2.713 20 0 GFADRO COc1ncc(Br)cc1CNC(=O)N1CCCC12CC[NH+](C)CC2 ZINC000637406785 565154539 /nfs/dbraw/zinc/15/45/39/565154539.db2.gz GBHSQNUFUFVKER-UHFFFAOYSA-N 1 0 397.317 2.623 20 0 GFADRO C[C@H]([NH2+]CCO[C@H]1CC1(F)F)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000658171414 565154759 /nfs/dbraw/zinc/15/47/59/565154759.db2.gz YLXGOAAXLSVACO-MADCSZMMSA-N 1 0 389.251 2.716 20 0 GFADRO CN1CC[NH+](CC2CN(C(=O)c3c[nH]cc3-c3ccc(Cl)s3)C2)CC1 ZINC000615274873 565155223 /nfs/dbraw/zinc/15/52/23/565155223.db2.gz RKQYCIHYXBPRCJ-UHFFFAOYSA-N 1 0 378.929 2.716 20 0 GFADRO CC(=O)c1cc(Br)ccc1OCC(=O)N1CC[C@@H]([NH+](C)C)[C@H]1C ZINC000615302997 565156214 /nfs/dbraw/zinc/15/62/14/565156214.db2.gz PUOXZMRVMWFIEC-IAQYHMDHSA-N 1 0 383.286 2.582 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2cc(F)ccc2Br)C1 ZINC000658261827 565157122 /nfs/dbraw/zinc/15/71/22/565157122.db2.gz OTLKJYFDFSEIMB-LLVKDONJSA-N 1 0 386.265 2.516 20 0 GFADRO Cc1cc(NC(=O)C(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)cc(C)c1Br ZINC000658263476 565157697 /nfs/dbraw/zinc/15/76/97/565157697.db2.gz KANSMGCEVPITRX-ZDUSSCGKSA-N 1 0 396.329 2.993 20 0 GFADRO CCCOc1ccc(Br)cc1S(=O)(=O)N1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000658369340 565163072 /nfs/dbraw/zinc/16/30/72/565163072.db2.gz WOWMRETZSKACNQ-AAEUAGOBSA-N 1 0 391.331 2.596 20 0 GFADRO CCCOc1ccc(Br)cc1S(=O)(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000658378581 565164571 /nfs/dbraw/zinc/16/45/71/565164571.db2.gz UOZHINJLXWKBPV-YPMHNXCESA-N 1 0 391.331 2.514 20 0 GFADRO CCCOc1ccc(Br)cc1S(=O)(=O)N(C)[C@@H](C[NH3+])C1CC1 ZINC000658379851 565164882 /nfs/dbraw/zinc/16/48/82/565164882.db2.gz YRDIPGHPRPYTEC-ZDUSSCGKSA-N 1 0 391.331 2.596 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(S(=O)(=O)Cc3cc(F)ccc3Cl)C2)C1 ZINC000658383490 565166102 /nfs/dbraw/zinc/16/61/02/565166102.db2.gz IRGJDQXRBAOJQR-VMGRFDJRSA-N 1 0 390.908 2.527 20 0 GFADRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)Cn1cc(Br)cn1 ZINC000589553882 565166861 /nfs/dbraw/zinc/16/68/61/565166861.db2.gz PPBBAFRXVOBGFT-UHFFFAOYSA-N 1 0 379.302 2.756 20 0 GFADRO COCCOc1c(Cl)cc(S(=O)(=O)NCC[C@@H]([NH3+])C(C)C)cc1Cl ZINC000658407464 565168389 /nfs/dbraw/zinc/16/83/89/565168389.db2.gz RCYIFUZCNYYKFS-CQSZACIVSA-N 1 0 399.340 2.670 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)C(=O)N(CC)[C@@H]1CC[N@H+](CC)C1 ZINC000658468899 565171449 /nfs/dbraw/zinc/17/14/49/565171449.db2.gz RWTUFDSXRCIIRI-OAHLLOKOSA-N 1 0 396.329 2.893 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)C(=O)N(CC)[C@H]1CC[N@H+](CC)C1 ZINC000658468898 565171600 /nfs/dbraw/zinc/17/16/00/565171600.db2.gz RWTUFDSXRCIIRI-HNNXBMFYSA-N 1 0 396.329 2.893 20 0 GFADRO CCN(C(=O)C(=O)Nc1cc(C)cc(Br)c1)[C@H]1CC[N@H+](CC)C1 ZINC000658469213 565171619 /nfs/dbraw/zinc/17/16/19/565171619.db2.gz XGQRYSHWQJYILF-HNNXBMFYSA-N 1 0 382.302 2.639 20 0 GFADRO [NH3+]CCCOC1CCN(C(=O)c2ccc(Br)c(F)c2F)CC1 ZINC000637863532 565173704 /nfs/dbraw/zinc/17/37/04/565173704.db2.gz APMYJJYAUWVRDI-UHFFFAOYSA-N 1 0 377.229 2.697 20 0 GFADRO CCOc1ccc(Br)cc1S(=O)(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000590068956 565177057 /nfs/dbraw/zinc/17/70/57/565177057.db2.gz DJDVXKFAHPPEDE-NSHDSACASA-N 1 0 391.331 2.609 20 0 GFADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1C[C@H]1c1cccc(Br)c1 ZINC000590117712 565179128 /nfs/dbraw/zinc/17/91/28/565179128.db2.gz XHBNOQPGLUZVNW-IKGGRYGDSA-N 1 0 381.314 2.780 20 0 GFADRO CCOC(=O)CCCNC(=O)C[NH2+][C@H](C)c1ccc(F)c(Br)c1 ZINC000590192564 565179906 /nfs/dbraw/zinc/17/99/06/565179906.db2.gz FOGYVGISJSHDKV-LLVKDONJSA-N 1 0 389.265 2.698 20 0 GFADRO C[N@@H+](Cc1ccc(S(N)(=O)=O)s1)C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000637992514 565180361 /nfs/dbraw/zinc/18/03/61/565180361.db2.gz RWOUMFSKLPSFTM-YJBOKZPZSA-N 1 0 380.535 2.995 20 0 GFADRO C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)NCc3ccc(Cl)c(Cl)c3)CC[C@@H]21 ZINC000658705395 565184055 /nfs/dbraw/zinc/18/40/55/565184055.db2.gz GAMIJPIVRKSMJT-BBRMVZONSA-N 1 0 384.307 2.552 20 0 GFADRO C[N@H+](Cc1ccc(S(N)(=O)=O)o1)CC1(c2ccc(Br)cc2)CC1 ZINC000638110441 565184616 /nfs/dbraw/zinc/18/46/16/565184616.db2.gz FUDMNHPYUHWAGN-UHFFFAOYSA-N 1 0 399.310 2.853 20 0 GFADRO Brc1cnc2c(CN3CCC[C@@H]([NH+]4CCCC4)CC3)cnn2c1 ZINC000638103889 565185181 /nfs/dbraw/zinc/18/51/81/565185181.db2.gz CJQFOLFXZNWKGS-MRXNPFEDSA-N 1 0 378.318 2.942 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(Cc2ccc(S(N)(=O)=O)s2)CC1 ZINC000638151319 565186411 /nfs/dbraw/zinc/18/64/11/565186411.db2.gz CFRDFDQAITWHTC-OAHLLOKOSA-N 1 0 385.599 2.872 20 0 GFADRO COc1nsc(CN2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)c1Br ZINC000638177210 565187922 /nfs/dbraw/zinc/18/79/22/565187922.db2.gz BIPDAUWHSQZOMV-IJLUTSLNSA-N 1 0 390.347 2.598 20 0 GFADRO [NH3+][C@H]1CCc2nc(NC(=O)CC3CCN(CC(F)(F)F)CC3)sc2C1 ZINC000638232909 565188968 /nfs/dbraw/zinc/18/89/68/565188968.db2.gz CLMBXWFIZZFLMD-NSHDSACASA-N 1 0 376.448 2.562 20 0 GFADRO O=C(c1cc(Br)c2nccn2c1)N1CCC2(CC[NH2+]CC2)CC1 ZINC000638201618 565189059 /nfs/dbraw/zinc/18/90/59/565189059.db2.gz MUTBCSPIPCXPHR-UHFFFAOYSA-N 1 0 377.286 2.703 20 0 GFADRO [NH3+]C[C@]1(C(=O)NCc2ccc(Br)cc2C(F)(F)F)CCCOC1 ZINC000638276881 565190056 /nfs/dbraw/zinc/19/00/56/565190056.db2.gz QLNHLNFLGVZHQU-CQSZACIVSA-N 1 0 395.219 2.840 20 0 GFADRO O=C([C@H]1[C@@H]2c3cccc(Br)c3C[C@H]12)N1CCC2(CC[NH2+]C2)CC1 ZINC000638247022 565190066 /nfs/dbraw/zinc/19/00/66/565190066.db2.gz NAFXOYBYQAWPRQ-USXIJHARSA-N 1 0 375.310 2.937 20 0 GFADRO O=C([C@@H]1[C@@H]2Cc3cc(Br)ccc3[C@@H]21)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000638249846 565190153 /nfs/dbraw/zinc/19/01/53/565190153.db2.gz XXLQRMKCYMDOKD-HGBDLFLASA-N 1 0 375.310 2.793 20 0 GFADRO [NH3+]CC[C@@H](NC(=O)c1scc(Br)c1Br)C(F)F ZINC000638254376 565190156 /nfs/dbraw/zinc/19/01/56/565190156.db2.gz DXQWORGNVSRXRC-RXMQYKEDSA-N 1 0 392.063 2.985 20 0 GFADRO CC(C)C(=O)NCC[NH2+][C@@H]1CCN(C)[C@@H](c2ccc(Br)cc2)C1 ZINC000638299270 565190886 /nfs/dbraw/zinc/19/08/86/565190886.db2.gz WVJPDOKEQXLOEX-IAGOWNOFSA-N 1 0 382.346 2.946 20 0 GFADRO CO[C@@H]1C[NH2+][C@](C)(C(=O)N2CCc3sc(-c4csc(C)n4)cc3C2)C1 ZINC000638309001 565191114 /nfs/dbraw/zinc/19/11/14/565191114.db2.gz BJDCHESEZRKDBW-UGSOOPFHSA-N 1 0 377.535 2.832 20 0 GFADRO O=C(c1cc(Br)c2nccn2c1)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000638403813 565194784 /nfs/dbraw/zinc/19/47/84/565194784.db2.gz VOXGLNWZQVALEP-CQSZACIVSA-N 1 0 391.313 2.949 20 0 GFADRO COC(=O)c1nn(-c2ccc(Cl)c(Cl)c2)cc1CN1CC[C@@H](O)[C@H]1C ZINC000590661486 565195312 /nfs/dbraw/zinc/19/53/12/565195312.db2.gz YAOZGAGRQSQIEE-MEBBXXQBSA-N 1 0 384.263 2.921 20 0 GFADRO O=C(c1cscc1Cl)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000638440609 565196876 /nfs/dbraw/zinc/19/68/76/565196876.db2.gz OKCQEOVHQJFMAU-LBPRGKRZSA-N 1 0 379.917 2.554 20 0 GFADRO O=C(NCC1CC[NH+](CC2CC2)CC1)C(=O)Nc1ccccc1Br ZINC000658992252 565198174 /nfs/dbraw/zinc/19/81/74/565198174.db2.gz ASJVQDDXFANKRK-UHFFFAOYSA-N 1 0 394.313 2.626 20 0 GFADRO C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)Nc2cccc(Cl)c2Cl)CCO1 ZINC000658997396 565198449 /nfs/dbraw/zinc/19/84/49/565198449.db2.gz HYLFPJMIFJIJTJ-GFCCVEGCSA-N 1 0 388.295 2.501 20 0 GFADRO O=C(N[C@@H]1CC[NH2+]C12CCC2)c1cnn(-c2ccc(Br)cc2)c1 ZINC000638506003 565199076 /nfs/dbraw/zinc/19/90/76/565199076.db2.gz YZECIMICGXRSRO-OAHLLOKOSA-N 1 0 375.270 2.649 20 0 GFADRO [NH3+]CC[C@@H](NC(=O)NC[C@H]1CCN(c2ccccc2Cl)C1)C(F)(F)F ZINC000659024185 565199295 /nfs/dbraw/zinc/19/92/95/565199295.db2.gz XGRKCMQTJMWXLB-BXUZGUMPSA-N 1 0 378.826 2.745 20 0 GFADRO COC(=O)[C@@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1c(F)cc(F)cc1Br ZINC000590752300 565200587 /nfs/dbraw/zinc/20/05/87/565200587.db2.gz KQNDKTPKKORZHM-SKDRFNHKSA-N 1 0 391.212 2.597 20 0 GFADRO Cc1cc(Br)c(Cl)cc1NC(=O)C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000659085739 565200506 /nfs/dbraw/zinc/20/05/06/565200506.db2.gz NJEFOFXVXJRSGP-UWVGGRQHSA-N 1 0 388.693 2.736 20 0 GFADRO Cc1cc(Br)c(Cl)cc1NC(=O)C(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000659081240 565200566 /nfs/dbraw/zinc/20/05/66/565200566.db2.gz DYXLAUHOYICJLB-NXEZZACHSA-N 1 0 388.693 2.545 20 0 GFADRO Cc1cc(Br)c(Cl)cc1NC(=O)C(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000659082414 565200899 /nfs/dbraw/zinc/20/08/99/565200899.db2.gz OCCLYIFOZMWLJZ-ZJUUUORDSA-N 1 0 388.693 2.558 20 0 GFADRO CN(CC(C)(C)[NH3+])C(=O)C(=O)Nc1ccc(C(F)(F)F)cc1Br ZINC000659089695 565201406 /nfs/dbraw/zinc/20/14/06/565201406.db2.gz JJUNRXQAFCIJKC-UHFFFAOYSA-N 1 0 396.207 2.602 20 0 GFADRO O=C(Nc1cccc(Br)c1)C(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000659092778 565201464 /nfs/dbraw/zinc/20/14/64/565201464.db2.gz UCODDASDJYFVSV-CQSZACIVSA-N 1 0 394.313 2.626 20 0 GFADRO COc1ccc(Cl)cc1NCC(=O)N1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000638556231 565201772 /nfs/dbraw/zinc/20/17/72/565201772.db2.gz JQRLYZUTXUHEHX-CMPLNLGQSA-N 1 0 379.810 2.746 20 0 GFADRO O=C(Nc1ccccc1Br)C(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000659090788 565201854 /nfs/dbraw/zinc/20/18/54/565201854.db2.gz COZOFAISBVIDCC-AWEZNQCLSA-N 1 0 394.313 2.626 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)c2[nH]nc(C3CC3)c2Br)CC[C@@H]1C(F)(F)F ZINC000638546599 565202090 /nfs/dbraw/zinc/20/20/90/565202090.db2.gz CFBVHPIKNPHQIZ-IUCAKERBSA-N 1 0 395.223 2.649 20 0 GFADRO C[NH2+]CCOCCNC(=O)c1sc(COc2ccc(Cl)cc2)nc1C ZINC000638578914 565202904 /nfs/dbraw/zinc/20/29/04/565202904.db2.gz WAYWPYPTIUVGGH-UHFFFAOYSA-N 1 0 383.901 2.650 20 0 GFADRO C[NH+](C)CC[C@@H](N)C(=O)N[C@@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC000638595599 565203788 /nfs/dbraw/zinc/20/37/88/565203788.db2.gz IUVKZHNPZCDPJC-GDBMZVCRSA-N 1 0 393.329 2.703 20 0 GFADRO OCC[C@H](C[NH2+]Cc1cnn2cc(Br)cnc12)c1ccccc1 ZINC000638668702 565206421 /nfs/dbraw/zinc/20/64/21/565206421.db2.gz KZBMBQRKSIILRP-CQSZACIVSA-N 1 0 375.270 2.748 20 0 GFADRO COc1cc(C[NH2+][C@H]2CCN(S(=O)(=O)C(C)C)C[C@H]2C)c(Cl)cc1O ZINC000638691718 565207348 /nfs/dbraw/zinc/20/73/48/565207348.db2.gz JGZGSDBAQXUVNZ-DOMZBBRYSA-N 1 0 390.933 2.592 20 0 GFADRO C[C@@H]1C[C@H](c2ccc(Br)cc2)CN1C(=O)COC1CC[NH2+]CC1 ZINC000638701239 565208121 /nfs/dbraw/zinc/20/81/21/565208121.db2.gz ZLQDENTYOAQJCV-HIFRSBDPSA-N 1 0 381.314 2.922 20 0 GFADRO CCCC[N@H+](C)C[C@@H](C)NC(=O)N[C@@H](CO)c1ccc(Br)cc1 ZINC000638716469 565208357 /nfs/dbraw/zinc/20/83/57/565208357.db2.gz JGCSMTRSEFLDJG-CJNGLKHVSA-N 1 0 386.334 2.902 20 0 GFADRO Cc1ccc(C(=O)N2CCC(CO[C@@H]3CC[NH2+]C3)CC2)c(Br)c1 ZINC000638783015 565211363 /nfs/dbraw/zinc/21/13/63/565211363.db2.gz FWAABULCASPHNX-OAHLLOKOSA-N 1 0 381.314 2.988 20 0 GFADRO O=C(COc1cc(Cl)cc(Cl)c1)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000638785235 565212001 /nfs/dbraw/zinc/21/20/01/565212001.db2.gz SVMDYLJYSPHMFM-INIZCTEOSA-N 1 0 387.307 2.989 20 0 GFADRO CC[C@@](C)(COc1ncccc1Cl)[NH2+]Cc1ccc(S(N)(=O)=O)s1 ZINC000638782397 565212182 /nfs/dbraw/zinc/21/21/82/565212182.db2.gz UFVGGVSMMMDHIW-HNNXBMFYSA-N 1 0 389.930 2.781 20 0 GFADRO CC[C@]1([NH2+]CC(=O)Nc2c(Cl)cc(Cl)cc2C(=O)OC)CCOC1 ZINC000616865552 565213507 /nfs/dbraw/zinc/21/35/07/565213507.db2.gz VIMPFXLLULTIRD-INIZCTEOSA-N 1 0 375.252 2.877 20 0 GFADRO O=C(N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1)c1cncc(Br)c1 ZINC000659355688 565214143 /nfs/dbraw/zinc/21/41/43/565214143.db2.gz RIOMEQPTCHSDOW-HOTGVXAUSA-N 1 0 378.245 2.859 20 0 GFADRO COCC[C@H](Cc1cccc(Br)c1)C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000659391061 565215239 /nfs/dbraw/zinc/21/52/39/565215239.db2.gz OAGLSNIXXSSMRY-FVQBIDKESA-N 1 0 387.293 2.542 20 0 GFADRO COc1ccc(NC(=O)[C@]2([NH3+])[C@@H]3CCCO[C@H]3C2(C)C)c(Br)c1 ZINC000638852370 565215969 /nfs/dbraw/zinc/21/59/69/565215969.db2.gz BKDPJXLJZJOADC-JDSLSITLSA-N 1 0 383.286 2.929 20 0 GFADRO COCC[C@@H](Cc1cccc(Br)c1)C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000659391062 565216089 /nfs/dbraw/zinc/21/60/89/565216089.db2.gz OAGLSNIXXSSMRY-NUEKZKHPSA-N 1 0 387.293 2.542 20 0 GFADRO C[N@@H+]1CC[C@H](C(=O)NCC2(c3cccc(Br)c3)CCOCC2)C1 ZINC000591097975 565216297 /nfs/dbraw/zinc/21/62/97/565216297.db2.gz MNNVAIHJLJYMLK-AWEZNQCLSA-N 1 0 381.314 2.565 20 0 GFADRO [NH3+]Cc1cn([C@H]2CCN(C(=O)[C@@H]3C[C@H]3c3cccc(Cl)c3Cl)C2)nn1 ZINC000638907810 565216401 /nfs/dbraw/zinc/21/64/01/565216401.db2.gz OSUGQQGXWHBUID-FPMFFAJLSA-N 1 0 380.279 2.621 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+][C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2)o1 ZINC000638909152 565216786 /nfs/dbraw/zinc/21/67/86/565216786.db2.gz RNIMSVTZFSJKSR-SNVBAGLBSA-N 1 0 390.292 2.602 20 0 GFADRO Cc1cc(C(=O)N2C[C@@H](C[NH3+])[C@H](C)C2)nn1-c1ccc(Br)cc1 ZINC000638892614 565217028 /nfs/dbraw/zinc/21/70/28/565217028.db2.gz JZNPWCGYRQEHTH-DGCLKSJQSA-N 1 0 377.286 2.610 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)c2ccc(Cl)c(NS(C)(=O)=O)c2)C1 ZINC000616993313 565218063 /nfs/dbraw/zinc/21/80/63/565218063.db2.gz GIFXMTILHXAYAO-GFCCVEGCSA-N 1 0 387.933 2.562 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)Cc1cc2c(cc1Br)OCCO2 ZINC000617020454 565219351 /nfs/dbraw/zinc/21/93/51/565219351.db2.gz BSRFWNCOBYMUPJ-ZDUSSCGKSA-N 1 0 397.313 2.752 20 0 GFADRO [NH3+]C[C@H]1CCCC[C@H]1NC(=O)N1CCOc2cc(Br)ccc2C1 ZINC000659525150 565219504 /nfs/dbraw/zinc/21/95/04/565219504.db2.gz WGNNTNDGXKWMIH-IUODEOHRSA-N 1 0 382.302 2.871 20 0 GFADRO O=C(Nc1cc(N2CC[NH2+]CC2)ccn1)c1ccc(F)cc1Br ZINC000638987513 565220095 /nfs/dbraw/zinc/22/00/95/565220095.db2.gz SCPDFZGCXHPAIS-UHFFFAOYSA-N 1 0 379.233 2.645 20 0 GFADRO COc1cc(Br)ccc1C(=O)Nc1cc(N2CC[NH2+]CC2)ccn1 ZINC000638986567 565220178 /nfs/dbraw/zinc/22/01/78/565220178.db2.gz UGUIZCQNVGLBOU-UHFFFAOYSA-N 1 0 391.269 2.515 20 0 GFADRO O=C(N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)N1CCOc2cc(Br)ccc2C1 ZINC000659558149 565220406 /nfs/dbraw/zinc/22/04/06/565220406.db2.gz XXHVCRUBXGMMRN-XNRPHZJLSA-N 1 0 394.313 2.741 20 0 GFADRO O=C(C[C@@H]1Sc2ccc(Cl)cc2NC1=O)N1CC[NH+](CC2CC2)CC1 ZINC000617092310 565220635 /nfs/dbraw/zinc/22/06/35/565220635.db2.gz CLIMKTUAIFWVRT-INIZCTEOSA-N 1 0 379.913 2.697 20 0 GFADRO Cc1[nH]c(=O)c(C(=O)N2C[C@H](C[NH3+])Cc3ccccc32)cc1Br ZINC000639022805 565220943 /nfs/dbraw/zinc/22/09/43/565220943.db2.gz IVDDEYVLIAIQBI-NSHDSACASA-N 1 0 376.254 2.636 20 0 GFADRO O=C(C[C@H]1Sc2ccc(Cl)cc2NC1=O)N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000639028205 565221037 /nfs/dbraw/zinc/22/10/37/565221037.db2.gz XFHBOGUVRPBGSA-HZUKXOBISA-N 1 0 379.913 2.743 20 0 GFADRO COCC[NH2+]C1CCN(C(=O)NCc2sc(C)cc2Br)CC1 ZINC000659602960 565221212 /nfs/dbraw/zinc/22/12/12/565221212.db2.gz ONTHLKAFPUYJNI-UHFFFAOYSA-N 1 0 390.347 2.729 20 0 GFADRO CC[C@H](Cc1ccc(Br)cc1)NC(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000659624508 565221240 /nfs/dbraw/zinc/22/12/40/565221240.db2.gz OEJPGUDXEMWKSJ-HZPDHXFCSA-N 1 0 384.318 2.529 20 0 GFADRO CC[C@H](Cc1ccc(Br)cc1)NC(=O)N1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000659624378 565221280 /nfs/dbraw/zinc/22/12/80/565221280.db2.gz NGFIRUUKQKRJGZ-DAXOMENPSA-N 1 0 384.318 2.528 20 0 GFADRO CC[C@@H]1CN(C(=O)Nc2ccc(Br)cc2C(=O)OC)CC[C@@H]1[NH3+] ZINC000591292025 565221887 /nfs/dbraw/zinc/22/18/87/565221887.db2.gz BVCPJBDSSARTAH-MFKMUULPSA-N 1 0 384.274 2.827 20 0 GFADRO COC(=O)c1cc(NC(=O)NC[C@@H]2CCCC[NH2+]2)c(Br)cc1F ZINC000591287517 565221906 /nfs/dbraw/zinc/22/19/06/565221906.db2.gz OBFZZBIPIODXSQ-VIFPVBQESA-N 1 0 388.237 2.638 20 0 GFADRO COC(=O)c1cc(NC(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)c(Br)cc1F ZINC000591287282 565221960 /nfs/dbraw/zinc/22/19/60/565221960.db2.gz KMRBKJVDVAHVFK-RKDXNWHRSA-N 1 0 388.237 2.766 20 0 GFADRO CCOC(=O)c1cc(Br)ccc1NC(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000591292931 565222780 /nfs/dbraw/zinc/22/27/80/565222780.db2.gz SXBNRYKVLOKWIY-NHYWBVRUSA-N 1 0 396.285 2.842 20 0 GFADRO COC(=O)c1cc(NC(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)c(C)cc1Br ZINC000591306867 565223608 /nfs/dbraw/zinc/22/36/08/565223608.db2.gz SXSAIZFJSKNQDJ-NHYWBVRUSA-N 1 0 396.285 2.760 20 0 GFADRO COc1cc(I)ccc1NC(=O)N[C@H]1CCC[NH2+]CC1 ZINC000591308177 565223762 /nfs/dbraw/zinc/22/37/62/565223762.db2.gz HUUAWLBPSAMYEJ-NSHDSACASA-N 1 0 389.237 2.563 20 0 GFADRO CCn1cc(Br)cc1C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000591333881 565225338 /nfs/dbraw/zinc/22/53/38/565225338.db2.gz FRGHFBFZDKZSCK-UHFFFAOYSA-N 1 0 384.318 2.645 20 0 GFADRO O=S1(=O)CCCN1[C@@H]1CCC[N@@H+](Cc2ccc(CC(F)(F)F)cc2)C1 ZINC000639115763 565225744 /nfs/dbraw/zinc/22/57/44/565225744.db2.gz ZJOGCKXEGUMIDF-MRXNPFEDSA-N 1 0 376.444 2.791 20 0 GFADRO O=C(NCC[NH2+]C1CC1)N1CCC[C@H]1c1ccc(I)cc1 ZINC000591359048 565227303 /nfs/dbraw/zinc/22/73/03/565227303.db2.gz GNPPDCCIFYKUAN-HNNXBMFYSA-N 1 0 399.276 2.890 20 0 GFADRO C[C@@H]1OCC[C@]1(O)C[NH2+][C@H]1CCN(C)[C@H](c2ccc(Br)cc2)C1 ZINC000639116196 565227556 /nfs/dbraw/zinc/22/75/56/565227556.db2.gz STIUDMXXPIOYMY-MGHWNKPDSA-N 1 0 383.330 2.714 20 0 GFADRO CCn1ncnc1C[NH2+][C@H]1CCN(C)[C@H](c2ccc(Br)cc2)C1 ZINC000639125109 565227672 /nfs/dbraw/zinc/22/76/72/565227672.db2.gz OXRSLIHSUKGCPG-HOTGVXAUSA-N 1 0 378.318 2.986 20 0 GFADRO Cn1cc(CCC[NH2+]Cc2cc(C(F)(F)F)cc(S(C)(=O)=O)c2)cn1 ZINC000639148481 565229244 /nfs/dbraw/zinc/22/92/44/565229244.db2.gz SSCRRMLGWLLDMC-UHFFFAOYSA-N 1 0 375.416 2.565 20 0 GFADRO O=S(=O)(NCC1([NH+]2CCCC2)CCOCC1)c1cc(Cl)ccc1Cl ZINC000591398854 565229531 /nfs/dbraw/zinc/22/95/31/565229531.db2.gz VFGHWOQMVGCMHS-UHFFFAOYSA-N 1 0 393.336 2.917 20 0 GFADRO CC(C)(C[NH2+]Cc1ccc(S(N)(=O)=O)s1)Oc1cc(F)cc(F)c1 ZINC000639157687 565230131 /nfs/dbraw/zinc/23/01/31/565230131.db2.gz PVAHXLPGRSXCGZ-UHFFFAOYSA-N 1 0 376.450 2.621 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+][C@H]2C[C@H](c3ccc(Br)cc3)C2)o1 ZINC000639197056 565231568 /nfs/dbraw/zinc/23/15/68/565231568.db2.gz SPPCVJLXPWTFST-AULYBMBSSA-N 1 0 385.283 2.725 20 0 GFADRO Cn1c(SCC(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)nnc1-c1cccs1 ZINC000617350836 565233974 /nfs/dbraw/zinc/23/39/74/565233974.db2.gz DKXSAXMFXJACHP-GFCCVEGCSA-N 1 0 379.555 2.625 20 0 GFADRO CC[NH+]1CCN([C@@H](C)CNC(=O)CCOc2ccc(Cl)c(Cl)c2)CC1 ZINC000591638352 565235161 /nfs/dbraw/zinc/23/51/61/565235161.db2.gz DVRXYXPCWOOULM-AWEZNQCLSA-N 1 0 388.339 2.905 20 0 GFADRO CN1CC[C@H]([NH2+]C[C@]2(C)CCC(=O)N2)C[C@@H]1c1ccc(Br)cc1 ZINC000639245283 565235217 /nfs/dbraw/zinc/23/52/17/565235217.db2.gz VGLPLBFOWBGLHT-JZXOWHBKSA-N 1 0 380.330 2.843 20 0 GFADRO COC(=O)c1cc(NC(=O)N[C@@H]2CCCC[C@H]2[NH3+])c(Br)cc1F ZINC000591689109 565236447 /nfs/dbraw/zinc/23/64/47/565236447.db2.gz OVXCDRZRZCEMPN-VXGBXAGGSA-N 1 0 388.237 2.766 20 0 GFADRO CC(C)C[N@H+](CCN1C(=O)CN(C)C1=O)Cc1ccccc1Br ZINC000660013219 565239135 /nfs/dbraw/zinc/23/91/35/565239135.db2.gz GOQTWJNGGPRRCN-UHFFFAOYSA-N 1 0 382.302 2.801 20 0 GFADRO CCC1([NH+]2CCCC2)CCN(Cc2ccc(S(N)(=O)=O)c(Cl)c2)CC1 ZINC000639376085 565242611 /nfs/dbraw/zinc/24/26/11/565242611.db2.gz SWFDWMBGBPYRNO-UHFFFAOYSA-N 1 0 385.961 2.828 20 0 GFADRO COCCc1ccc(OC[C@@H](C)[NH2+]Cc2c(Br)cnn2C)cc1 ZINC000639381688 565243474 /nfs/dbraw/zinc/24/34/74/565243474.db2.gz PMIUYGFWEWMAIX-CYBMUJFWSA-N 1 0 382.302 2.929 20 0 GFADRO CCN(C(=O)c1cnn(-c2ccc(Br)cc2)c1)[C@@H]1CC[N@H+](C)C1 ZINC000617557771 565246907 /nfs/dbraw/zinc/24/69/07/565246907.db2.gz SOXKGDGVWAVOSG-MRXNPFEDSA-N 1 0 377.286 2.801 20 0 GFADRO CCCC[N@H+](CC[C@@H]1Sc2ccccc2NC1=O)[C@H]1CCS(=O)(=O)C1 ZINC000660070424 565247596 /nfs/dbraw/zinc/24/75/96/565247596.db2.gz QBNYBPJTVGLUDI-YOEHRIQHSA-N 1 0 382.551 2.779 20 0 GFADRO C[C@](O)(C[C@H](O)C[NH2+]C1(c2cccc(Br)c2)CCOCC1)C1CC1 ZINC000639539421 565249093 /nfs/dbraw/zinc/24/90/93/565249093.db2.gz XABXJELUHQQPBH-ROUUACIJSA-N 1 0 398.341 2.956 20 0 GFADRO CC(C)[NH2+]C1(CO)CCN(C[C@H](O)COc2cc(Cl)cc(Cl)c2)CC1 ZINC000639661289 565253381 /nfs/dbraw/zinc/25/33/81/565253381.db2.gz QOTGDVZLLWGOOL-INIZCTEOSA-N 1 0 391.339 2.558 20 0 GFADRO CCN(CC(F)(F)F)C(=O)CN(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000639670939 565254418 /nfs/dbraw/zinc/25/44/18/565254418.db2.gz JLPHTSUGDKXKDE-UHFFFAOYSA-N 1 0 377.373 2.746 20 0 GFADRO O=C(C[N@@H+]1CC[C@H]([C@@H]2CCOC2)C1)c1c[nH]c2ncc(Br)cc12 ZINC000660119688 565254932 /nfs/dbraw/zinc/25/49/32/565254932.db2.gz USPXPCMJVAEDDP-NWDGAFQWSA-N 1 0 378.270 2.867 20 0 GFADRO C[C@H](CCNC(=O)[C@H]1CCCN1C(=O)c1ccc(Br)cc1)[NH+](C)C ZINC000617751366 565256583 /nfs/dbraw/zinc/25/65/83/565256583.db2.gz WLLADMHNPRXCGB-CZUORRHYSA-N 1 0 396.329 2.510 20 0 GFADRO C[C@@H](C[NH+]1CCOCC1)C(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000617776551 565257790 /nfs/dbraw/zinc/25/77/90/565257790.db2.gz YCLWCMBFHPJDFM-AWEZNQCLSA-N 1 0 386.323 2.610 20 0 GFADRO O=c1cc([C@H]2CC[N@@H+](CCOc3ccc(Br)cc3)C2)[nH]c(=O)[nH]1 ZINC000639734341 565258857 /nfs/dbraw/zinc/25/88/57/565258857.db2.gz RYEMYRBXQXVMNQ-NSHDSACASA-N 1 0 380.242 2.519 20 0 GFADRO CSc1ccc(S(=O)(=O)N2CC3(CCCC3)OC[C@@H]2C[NH+](C)C)cc1 ZINC000660151173 565261101 /nfs/dbraw/zinc/26/11/01/565261101.db2.gz PSHKYNBVCRUJII-HNNXBMFYSA-N 1 0 384.567 2.672 20 0 GFADRO O[C@H](COc1cc(F)cc(Br)c1)C[N@@H+]1CCC[C@@H]1c1cn[nH]c1 ZINC000639779231 565261444 /nfs/dbraw/zinc/26/14/44/565261444.db2.gz ZGMULSBHLVQFBJ-GOEBONIOSA-N 1 0 384.249 2.888 20 0 GFADRO O[C@@H](COc1cc(Cl)cc(Cl)c1)C[NH+]1CCC(N2CCOCC2)CC1 ZINC000639831724 565264421 /nfs/dbraw/zinc/26/44/21/565264421.db2.gz WYSNCWIJTMXJAG-QGZVFWFLSA-N 1 0 389.323 2.530 20 0 GFADRO O=C(NCCSc1ccc(Cl)cc1)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000660224686 565267202 /nfs/dbraw/zinc/26/72/02/565267202.db2.gz WDEHUVIVZRTIFI-MRXNPFEDSA-N 1 0 383.945 2.985 20 0 GFADRO CSCC[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)N(C)CCC[NH3+] ZINC000592298641 565267478 /nfs/dbraw/zinc/26/74/78/565267478.db2.gz NIWKODIUEWRWQQ-CQSZACIVSA-N 1 0 392.352 2.652 20 0 GFADRO C[N@@H+]1CCC[C@@H](NC(=O)Nc2cc(Br)ccc2N2CCOCC2)C1 ZINC000617930125 565268125 /nfs/dbraw/zinc/26/81/25/565268125.db2.gz HAQNMCHVGOUHEP-CQSZACIVSA-N 1 0 397.317 2.501 20 0 GFADRO OCCC1(CCO)CC[NH+](C[C@H](O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000640015304 565274563 /nfs/dbraw/zinc/27/45/63/565274563.db2.gz UVDAUFFCVWCPMI-AWEZNQCLSA-N 1 0 392.323 2.580 20 0 GFADRO Cn1ncc(Br)c1CNC(=O)Nc1ccccc1CC[NH+](C)C ZINC000640042259 565275896 /nfs/dbraw/zinc/27/58/96/565275896.db2.gz MIZDLFWAPQMMBK-UHFFFAOYSA-N 1 0 380.290 2.608 20 0 GFADRO Cc1ccc(C[N@@H+](C[C@H]2CCCO2)C[C@@H]2CNC(=O)C2)c(Br)c1 ZINC000660463378 565278099 /nfs/dbraw/zinc/27/80/99/565278099.db2.gz BTOKZRFNOQXDQU-GOEBONIOSA-N 1 0 381.314 2.875 20 0 GFADRO NC(=O)c1ncn(C2CC[NH+](CCSc3cccc(Cl)c3)CC2)c1N ZINC000660485794 565279108 /nfs/dbraw/zinc/27/91/08/565279108.db2.gz FQTODBSSCIIJIG-UHFFFAOYSA-N 1 0 379.917 2.647 20 0 GFADRO C[C@@H](CCc1ccc(I)cc1)CC(=O)NCC1C[NH2+]C1 ZINC000592540915 565280973 /nfs/dbraw/zinc/28/09/73/565280973.db2.gz TWVSQUPDUODQGS-LBPRGKRZSA-N 1 0 386.277 2.586 20 0 GFADRO [NH3+]C[C@@H]1CCCn2ncc(C(=O)N3CCc4cc(Br)ccc4C3)c21 ZINC000592564419 565282088 /nfs/dbraw/zinc/28/20/88/565282088.db2.gz SOFWIOOKYQLEBU-ZDUSSCGKSA-N 1 0 389.297 2.680 20 0 GFADRO COC(=O)[C@H]1C[NH2+]CCCN1C(=O)CCCCc1ccc(Br)cc1 ZINC000592554922 565282222 /nfs/dbraw/zinc/28/22/22/565282222.db2.gz VGYKHWBYSLDAMB-MRXNPFEDSA-N 1 0 397.313 2.525 20 0 GFADRO COC(=O)[C@@H]1CN(C(=O)CCC(C)(C)[NH3+])C[C@H]1c1ccc(Br)cc1 ZINC000592568921 565282486 /nfs/dbraw/zinc/28/24/86/565282486.db2.gz QPECTWAFUIKSRP-LSDHHAIUSA-N 1 0 397.313 2.682 20 0 GFADRO Cc1cccc2sc(C(=O)N(CC[NH+](C)C)CC(=O)N(C)C)c(Cl)c21 ZINC000618304334 565286004 /nfs/dbraw/zinc/28/60/04/565286004.db2.gz WSEOKFRMUJNICB-UHFFFAOYSA-N 1 0 381.929 2.955 20 0 GFADRO CSc1cccc(C[N@H+](C)CCN(C)c2ccc(S(N)(=O)=O)cc2)c1 ZINC000660672257 565287793 /nfs/dbraw/zinc/28/77/93/565287793.db2.gz TZJDTJMYCNGKJK-UHFFFAOYSA-N 1 0 379.551 2.624 20 0 GFADRO CC[N@@H+]1CCCN(CC(=O)N(C)Cc2cc(Br)cs2)[C@@H](C)C1 ZINC000660790175 565294553 /nfs/dbraw/zinc/29/45/53/565294553.db2.gz FERHYTSJBMXNCY-ZDUSSCGKSA-N 1 0 388.375 2.885 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2nn(CC(F)(F)F)cc2Cl)[C@H](C)C1 ZINC000640295278 565294918 /nfs/dbraw/zinc/29/49/18/565294918.db2.gz TUFBHERAUBEDMR-ZYHUDNBSSA-N 1 0 381.830 3.293 20 0 GFADRO COc1c(Br)ccc(F)c1C(=O)N1C[C@@H](SC)[C@H]([NH+](C)C)C1 ZINC000592780993 565295272 /nfs/dbraw/zinc/29/52/72/565295272.db2.gz UMVAISJASFOZAQ-VXGBXAGGSA-N 1 0 391.306 2.714 20 0 GFADRO C[N@@H+]1CCC[C@@H](CNC(=O)N2CCN(c3ccc(Br)cc3)CC2)C1 ZINC000660843822 565295376 /nfs/dbraw/zinc/29/53/76/565295376.db2.gz BOXDBMCOVROMGJ-HNNXBMFYSA-N 1 0 395.345 2.623 20 0 GFADRO O=C(C[N@H+]1C[C@@H]2CC[C@H](O)C[C@@H]2C1)c1c[nH]c2ncc(Br)cc12 ZINC000660810185 565295815 /nfs/dbraw/zinc/29/58/15/565295815.db2.gz ZTALGPDPVAPBOM-LOWVWBTDSA-N 1 0 378.270 2.601 20 0 GFADRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)Nc1nn(CC(F)(F)F)cc1Cl ZINC000640302638 565296667 /nfs/dbraw/zinc/29/66/67/565296667.db2.gz SZSMNKXTAUGCNA-JQWIXIFHSA-N 1 0 379.814 3.189 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)N2CCOc3cc(Br)ccc3C2)C[N@@H+]1C1CC1 ZINC000660869794 565297776 /nfs/dbraw/zinc/29/77/76/565297776.db2.gz RPQAAQZWDCMUAF-IUODEOHRSA-N 1 0 394.313 2.978 20 0 GFADRO CC(C)c1n[nH]c(C(=O)N2CCC[N@H+](C[C@H]3CCCO3)CC2)c1Br ZINC000592832526 565299380 /nfs/dbraw/zinc/29/93/80/565299380.db2.gz HVXQXXDQWWRUPE-CYBMUJFWSA-N 1 0 399.333 2.623 20 0 GFADRO Brc1ccc(-c2noc(CN3CC[C@@H](Cn4ccnn4)C3)n2)s1 ZINC000661144996 565309406 /nfs/dbraw/zinc/30/94/06/565309406.db2.gz OOKYHAKOXYYHRK-SNVBAGLBSA-N 1 0 395.286 2.674 20 0 GFADRO COC[C@H]([NH2+]C[C@@H](O)COc1cc(Cl)ccc1Cl)C1CCOCC1 ZINC000661160826 565310946 /nfs/dbraw/zinc/31/09/46/565310946.db2.gz OGFNNEHRHCHPRR-ZBFHGGJFSA-N 1 0 378.296 2.764 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)CCC[N@@H+]1C[C@@H]2C[C@H]1C[S@@]2=O ZINC000593102540 565313941 /nfs/dbraw/zinc/31/39/41/565313941.db2.gz XQZGTJUKWQJKGG-NPGVVQFXSA-N 1 0 399.354 2.990 20 0 GFADRO CCC(C)(C)[C@@H](C)[NH2+]CC(=O)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 ZINC000661235512 565314706 /nfs/dbraw/zinc/31/47/06/565314706.db2.gz OHLWWNRHQRMJPC-HUUCEWRRSA-N 1 0 386.583 2.678 20 0 GFADRO C[S@@](=O)C1(CNC(=O)Nc2ccc(SCC[NH+]3CCCC3)cc2)CC1 ZINC000593270212 565323360 /nfs/dbraw/zinc/32/33/60/565323360.db2.gz YISBIGSYTBIDGV-RUZDIDTESA-N 1 0 381.567 2.907 20 0 GFADRO CC(C)(C)[C@@H]([NH3+])c1cn(CC(=O)Nc2ccc(Br)cc2F)nn1 ZINC000640759017 565324756 /nfs/dbraw/zinc/32/47/56/565324756.db2.gz AYIGBSOMGKOUIO-AWEZNQCLSA-N 1 0 384.253 2.864 20 0 GFADRO O=C(Cn1cc(C[NH2+]C2CCCC2)nn1)Nc1ccc(Br)cc1 ZINC000640755113 565324783 /nfs/dbraw/zinc/32/47/83/565324783.db2.gz SMEKILPIKUQYTI-UHFFFAOYSA-N 1 0 378.274 2.712 20 0 GFADRO C[C@H](C(=O)NC1CCCC1)n1cc([C@H]([NH3+])c2ccc(Br)cc2)nn1 ZINC000640806107 565328543 /nfs/dbraw/zinc/32/85/43/565328543.db2.gz WTUJRMUQOOTXQN-BDJLRTHQSA-N 1 0 392.301 2.709 20 0 GFADRO C[C@@H](C(=O)N1CCCCC1)n1cc([C@@H]([NH3+])c2ccc(Br)cc2)nn1 ZINC000640806283 565329186 /nfs/dbraw/zinc/32/91/86/565329186.db2.gz BRFVGCKTQBKKMI-LRDDRELGSA-N 1 0 392.301 2.662 20 0 GFADRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N1CCc2[nH]c3c(cccc3Br)c2C1 ZINC000640941527 565338564 /nfs/dbraw/zinc/33/85/64/565338564.db2.gz HMYJXPXGPSNMOW-BDJLRTHQSA-N 1 0 391.313 2.996 20 0 GFADRO C[NH2+]C(C)(C)c1cn(Cc2nc(-c3cc(Br)cs3)no2)nn1 ZINC000640993778 565340766 /nfs/dbraw/zinc/34/07/66/565340766.db2.gz GVJCNPPJJWRVAN-UHFFFAOYSA-N 1 0 383.275 2.655 20 0 GFADRO [NH3+][C@@H](c1cn(Cc2nnc(C3CC3)s2)nn1)c1ccc(Br)cc1 ZINC000641048955 565343502 /nfs/dbraw/zinc/34/35/02/565343502.db2.gz DQQUPRGGMFRUGH-CQSZACIVSA-N 1 0 391.298 2.866 20 0 GFADRO CS[C@H](C)CNC(=O)C(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000593572491 565344221 /nfs/dbraw/zinc/34/42/21/565344221.db2.gz NRBUHJOTYKZLHU-CQSZACIVSA-N 1 0 381.567 2.681 20 0 GFADRO CC[C@@H]([NH2+]CC(=O)NCC(F)F)c1ccc(I)cc1 ZINC000619508775 565346030 /nfs/dbraw/zinc/34/60/30/565346030.db2.gz GIUCPSBQYNJTOL-LLVKDONJSA-N 1 0 382.192 2.713 20 0 GFADRO COc1ccc(C[N@@H+]2CC[C@@H](CN3CCCC3=O)C2)c(Br)c1OC ZINC000662057406 565347828 /nfs/dbraw/zinc/34/78/28/565347828.db2.gz BGRXVMJAXJQGFU-CYBMUJFWSA-N 1 0 397.313 2.911 20 0 GFADRO Cc1cc(N2CCC[C@H]([N@@H+]3CCC4(COC4)C3)C2=O)ccc1Br ZINC000662071989 565348428 /nfs/dbraw/zinc/34/84/28/565348428.db2.gz FDGAHDBNSFUXOP-INIZCTEOSA-N 1 0 379.298 2.975 20 0 GFADRO CCc1nnc(Cn2cc([C@@H]([NH3+])c3ccc(Br)cc3)nn2)s1 ZINC000641156164 565350185 /nfs/dbraw/zinc/35/01/85/565350185.db2.gz CDSYUPVSNLQJJY-AWEZNQCLSA-N 1 0 379.287 2.551 20 0 GFADRO Brc1ccc2[nH]c(Cn3cc(CC[NH+]4CCCCC4)nn3)nc2c1 ZINC000641162738 565350646 /nfs/dbraw/zinc/35/06/46/565350646.db2.gz RVICSSHJPIEOMO-UHFFFAOYSA-N 1 0 389.301 2.994 20 0 GFADRO CC(C)NC(=O)[C@@H]1CCC[N@H+](C[C@@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000662112718 565351912 /nfs/dbraw/zinc/35/19/12/565351912.db2.gz GGJKXYYCHOSWDC-ZIAGYGMSSA-N 1 0 389.323 2.970 20 0 GFADRO COCC[NH2+]CCc1cn(Cc2cc(Cl)c(C)cc2Br)nn1 ZINC000641171177 565352203 /nfs/dbraw/zinc/35/22/03/565352203.db2.gz MKAOPEJEUWTGHU-UHFFFAOYSA-N 1 0 387.709 2.829 20 0 GFADRO C[C@@H](C(=O)Nc1cccc(Cl)c1Cl)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000662154207 565353323 /nfs/dbraw/zinc/35/33/23/565353323.db2.gz FKRLTQGDJNEZGA-JSGCOSHPSA-N 1 0 386.323 2.851 20 0 GFADRO Cc1cc(CNC(=O)NCCC2(C[NH3+])CC2)ccc1I ZINC000593726581 565358196 /nfs/dbraw/zinc/35/81/96/565358196.db2.gz OHFXQPPFEYQKKN-UHFFFAOYSA-N 1 0 387.265 2.528 20 0 GFADRO CC(C)([NH3+])c1noc(CN2CCOC[C@@H]2c2ccc(Br)cc2)n1 ZINC000662305529 565358831 /nfs/dbraw/zinc/35/88/31/565358831.db2.gz IMRKBFYGUONSLV-CYBMUJFWSA-N 1 0 381.274 2.599 20 0 GFADRO OCC1(NCc2c(-c3ccc(Cl)cc3)nc3sccn23)CC[NH2+]CC1 ZINC000662283285 565359118 /nfs/dbraw/zinc/35/91/18/565359118.db2.gz HBSGPBWHHSCHJY-UHFFFAOYSA-N 1 0 376.913 2.920 20 0 GFADRO [NH3+]C[C@@H]1CCc2ccccc2N1CC(=O)Nc1ccc(Br)cn1 ZINC000662306402 565359490 /nfs/dbraw/zinc/35/94/90/565359490.db2.gz ZHTAKOVHMHWUFW-AWEZNQCLSA-N 1 0 375.270 2.563 20 0 GFADRO C[C@@H]1CCCN(Cc2nnnn2-c2ccccc2Br)[C@@H]1CCC[NH3+] ZINC000662313010 565360473 /nfs/dbraw/zinc/36/04/73/565360473.db2.gz JKPRSKXUNLFKJB-UKRRQHHQSA-N 1 0 393.333 2.764 20 0 GFADRO C[NH+](C)CCN(Cc1ccc(F)c(F)c1)S(=O)(=O)C[C@]1(C)CC1(F)F ZINC000641302969 565360657 /nfs/dbraw/zinc/36/06/57/565360657.db2.gz XKXPJEBIHYVKEY-HNNXBMFYSA-N 1 0 382.423 2.704 20 0 GFADRO CN(C[C@H]1COc2ccccc2O1)C(=O)[C@@H](N)c1ccccc1Br ZINC000662347067 565361477 /nfs/dbraw/zinc/36/14/77/565361477.db2.gz YLQSWXASVLNBIK-SJCJKPOMSA-N 1 0 391.265 2.747 20 0 GFADRO Cc1ccc(NC(=O)[C@H](C)N(C)[C@@H](C[NH3+])C(F)(F)F)c(Br)c1 ZINC000662332306 565362032 /nfs/dbraw/zinc/36/20/32/565362032.db2.gz WBZYSWYJVBPDPQ-CABZTGNLSA-N 1 0 382.224 2.906 20 0 GFADRO CN(Cc1ccc2c(c1)OCCO2)C(=O)[C@H](N)c1ccccc1Br ZINC000662342549 565362266 /nfs/dbraw/zinc/36/22/66/565362266.db2.gz DAYREAHRVMECFO-QGZVFWFLSA-N 1 0 391.265 2.879 20 0 GFADRO [NH3+]C1CCN(C(=O)Cc2ccc(Br)c(Br)c2)CC1 ZINC000662389796 565364683 /nfs/dbraw/zinc/36/46/83/565364683.db2.gz YAKROGQISYZCPA-UHFFFAOYSA-N 1 0 376.092 2.704 20 0 GFADRO C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)c1cc2c(s1)CC[NH2+]C2 ZINC000662377159 565364755 /nfs/dbraw/zinc/36/47/55/565364755.db2.gz KHEZPVAYGDEZDG-LBPRGKRZSA-N 1 0 378.519 2.631 20 0 GFADRO Cc1cnc([C@H](NS(=O)(=O)c2cccc3c2CCN(C)C3)C2CC2)s1 ZINC000641356742 565365569 /nfs/dbraw/zinc/36/55/69/565365569.db2.gz ZUEXISZSVGQIPL-QGZVFWFLSA-N 1 0 377.535 2.869 20 0 GFADRO COC(=O)C[C@@H](NC(=O)[C@@H]1CCC[NH2+]CC1)c1ccc(Br)cc1 ZINC000593901972 565366576 /nfs/dbraw/zinc/36/65/76/565366576.db2.gz LZRKNRLWKMTGOM-UKRRQHHQSA-N 1 0 383.286 2.559 20 0 GFADRO [NH3+]C[C@@H](NC(=O)[C@@H]1CCO[C@H]1c1cncc(Br)c1)C1CCCCC1 ZINC000662417794 565366693 /nfs/dbraw/zinc/36/66/93/565366693.db2.gz MSAFKCZUCWEUBA-ZACQAIPSSA-N 1 0 396.329 2.946 20 0 GFADRO O=C(NCCCc1ccc(Br)cc1F)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC000662465760 565370256 /nfs/dbraw/zinc/37/02/56/565370256.db2.gz RYDHXCXYXZIBLQ-LBPRGKRZSA-N 1 0 395.276 2.751 20 0 GFADRO O=C(NCCc1ccc(Br)cc1)c1cc(C2CC[NH2+]CC2)no1 ZINC000662465753 565370318 /nfs/dbraw/zinc/37/03/18/565370318.db2.gz YLTDFKZEOSSQIG-UHFFFAOYSA-N 1 0 378.270 2.877 20 0 GFADRO O=C(c1cnnn1C1CC[NH2+]CC1)N1CCc2cc(Cl)cc(Cl)c2C1 ZINC000662494180 565372342 /nfs/dbraw/zinc/37/23/42/565372342.db2.gz QAPPQFHHOFJLHP-UHFFFAOYSA-N 1 0 380.279 2.708 20 0 GFADRO COC(=O)Cc1csc(NC(=O)C[NH2+][C@H](C)C2CCC(F)(F)CC2)n1 ZINC000594045524 565373429 /nfs/dbraw/zinc/37/34/29/565373429.db2.gz ZBNQZRKMDZDCJI-SNVBAGLBSA-N 1 0 375.441 2.601 20 0 GFADRO COC1CC[NH+](C(C)(C)CNS(=O)(=O)c2ccc(F)c(Cl)c2)CC1 ZINC000594033838 565373516 /nfs/dbraw/zinc/37/35/16/565373516.db2.gz RWAZRWLABGWTOX-UHFFFAOYSA-N 1 0 378.897 2.647 20 0 GFADRO O=C(CCNC(=O)C1([NH2+]C2CC2)CCC1)Nc1ccc(Br)cc1 ZINC000662515640 565373847 /nfs/dbraw/zinc/37/38/47/565373847.db2.gz OEKPYYVCRJCPLF-UHFFFAOYSA-N 1 0 380.286 2.569 20 0 GFADRO O=C(c1cc(-c2ccc(Br)cc2)no1)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000662519644 565373929 /nfs/dbraw/zinc/37/39/29/565373929.db2.gz TXMRLRVNWGOBKV-WFASDCNBSA-N 1 0 376.254 2.928 20 0 GFADRO C[C@H]1CN(C(=O)Cc2ccc(Br)c(Br)c2)[C@@H](C)C[NH2+]1 ZINC000662513739 565374028 /nfs/dbraw/zinc/37/40/28/565374028.db2.gz FQKWRAXQOYZHJR-UWVGGRQHSA-N 1 0 390.119 2.963 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)[C@@H](N)c1ccccc1Br)c1ccccc1 ZINC000662522588 565374775 /nfs/dbraw/zinc/37/47/75/565374775.db2.gz AUQDMSZQRLKQKO-SJORKVTESA-N 1 0 376.298 2.868 20 0 GFADRO COc1cc(CNC(=O)c2cc(C(C)(C)[NH3+])no2)cc(Br)c1OC ZINC000662553528 565376807 /nfs/dbraw/zinc/37/68/07/565376807.db2.gz LEGRFXJWYSQCIM-UHFFFAOYSA-N 1 0 398.257 2.578 20 0 GFADRO COc1ccc(NC(=O)c2cn([C@@H]3CCC[NH2+]CC3)nn2)cc1Br ZINC000662567891 565377022 /nfs/dbraw/zinc/37/70/22/565377022.db2.gz IKAMKWAEZFYKAK-GFCCVEGCSA-N 1 0 394.273 2.616 20 0 GFADRO COc1ccc(NC(=O)c2cn([C@H]3CCC[NH2+]CC3)nn2)cc1Br ZINC000662567892 565377300 /nfs/dbraw/zinc/37/73/00/565377300.db2.gz IKAMKWAEZFYKAK-LBPRGKRZSA-N 1 0 394.273 2.616 20 0 GFADRO COc1cc(CNC(=O)C2([NH2+]C3CC3)CCC2)cc(Br)c1OC ZINC000662554260 565377468 /nfs/dbraw/zinc/37/74/68/565377468.db2.gz OSKBXVKVLLDFJD-UHFFFAOYSA-N 1 0 383.286 2.757 20 0 GFADRO O=C(Nc1ccc(Cl)c(Br)c1)c1cnnn1C1CC[NH2+]CC1 ZINC000662589008 565378250 /nfs/dbraw/zinc/37/82/50/565378250.db2.gz GQBWODNBRDTFND-UHFFFAOYSA-N 1 0 384.665 2.871 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(C(=O)Cc3ccc(Br)cc3F)C2)C1 ZINC000662581669 565378288 /nfs/dbraw/zinc/37/82/88/565378288.db2.gz JGCXGVQYWFBTHP-UNEWFSDZSA-N 1 0 399.304 2.876 20 0 GFADRO N[C@@H](C(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1)c1ccccc1Br ZINC000662575809 565378337 /nfs/dbraw/zinc/37/83/37/565378337.db2.gz QSBHEHQIBQGTNX-USXIJHARSA-N 1 0 392.272 2.541 20 0 GFADRO CN(CC(C)(C)[NH3+])C(=O)c1nnn(-c2ccc(Br)cc2)c1C1CC1 ZINC000662607785 565379387 /nfs/dbraw/zinc/37/93/87/565379387.db2.gz FAQAFOXYXQDHOQ-UHFFFAOYSA-N 1 0 392.301 2.717 20 0 GFADRO Cc1cc(Br)ccc1CNC(=O)c1cn([C@@H]2CCC[NH2+]CC2)nn1 ZINC000662592105 565380045 /nfs/dbraw/zinc/38/00/45/565380045.db2.gz WFDIHCNGGGSVPW-OAHLLOKOSA-N 1 0 392.301 2.594 20 0 GFADRO [NH3+]C1(CNC(=O)c2ncc(Br)cc2Br)CCCC1 ZINC000662648728 565380389 /nfs/dbraw/zinc/38/03/89/565380389.db2.gz NJKNORGERUKRGJ-UHFFFAOYSA-N 1 0 377.080 2.608 20 0 GFADRO Cc1cc(Br)c(CNC(=O)[C@]2([NH3+])[C@H]3CCCO[C@@H]3C2(C)C)s1 ZINC000662667689 565380787 /nfs/dbraw/zinc/38/07/87/565380787.db2.gz CKPOOTRLGOOEMT-YNZJMPHRSA-N 1 0 387.343 2.968 20 0 GFADRO CNc1cc(I)ccc1C(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000594289225 565381072 /nfs/dbraw/zinc/38/10/72/565381072.db2.gz KPCQSOILAMLNQY-ZDUSSCGKSA-N 1 0 399.276 2.642 20 0 GFADRO [NH3+]C[C@@H]1OCC[C@@H]1C(=O)Nc1ccc(Oc2cccc(Br)c2)nc1 ZINC000662706402 565382483 /nfs/dbraw/zinc/38/24/83/565382483.db2.gz CHSZWCQEGMUPIL-GJZGRUSLSA-N 1 0 392.253 2.939 20 0 GFADRO Cc1ccc2c(c1Br)CN(C(=O)c1cc([C@H]3CC[NH2+]C3)n[nH]1)C2 ZINC000662739273 565383477 /nfs/dbraw/zinc/38/34/77/565383477.db2.gz NQIQFDLDQNHOHM-NSHDSACASA-N 1 0 375.270 2.714 20 0 GFADRO C[C@H]1[NH2+]CCN(C(=O)Cc2ccc(Br)c(Br)c2)[C@H]1C ZINC000662772216 565384237 /nfs/dbraw/zinc/38/42/37/565384237.db2.gz DDCGYUTXRTUDFI-ZJUUUORDSA-N 1 0 390.119 2.963 20 0 GFADRO C[C@@]([NH3+])(C(=O)N1Cc2c[nH]nc2CC(C)(C)C1)c1ccc(Br)cc1 ZINC000662760757 565384520 /nfs/dbraw/zinc/38/45/20/565384520.db2.gz LDWVFWRHIFTKQM-SFHVURJKSA-N 1 0 391.313 2.957 20 0 GFADRO C[C@]([NH3+])(C(=O)N1Cc2c[nH]nc2CC(C)(C)C1)c1ccc(Br)cc1 ZINC000662760755 565384945 /nfs/dbraw/zinc/38/49/45/565384945.db2.gz LDWVFWRHIFTKQM-GOSISDBHSA-N 1 0 391.313 2.957 20 0 GFADRO C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000620477760 565384973 /nfs/dbraw/zinc/38/49/73/565384973.db2.gz NHAAUKGBNXRMNM-SWLSCSKDSA-N 1 0 387.307 2.818 20 0 GFADRO C[NH+]1CCC2(CCN(S(=O)(=O)Cc3ccccc3C(F)(F)F)C2)CC1 ZINC000641589330 565385077 /nfs/dbraw/zinc/38/50/77/565385077.db2.gz JQTZSBYJTULPPK-UHFFFAOYSA-N 1 0 376.444 2.953 20 0 GFADRO C[C@@H](C(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1)c1ccc(Br)cc1 ZINC000620481805 565385737 /nfs/dbraw/zinc/38/57/37/565385737.db2.gz XIJNUOZKDAYNJF-CXAGYDPISA-N 1 0 381.314 2.610 20 0 GFADRO [NH3+]C[C@H]1OCC[C@H]1C(=O)NCC1(c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000662811265 565386132 /nfs/dbraw/zinc/38/61/32/565386132.db2.gz XWCCHVSYZCFJFI-BXUZGUMPSA-N 1 0 376.806 2.870 20 0 GFADRO C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000620487444 565386376 /nfs/dbraw/zinc/38/63/76/565386376.db2.gz YSFYJQZTNMEJQY-TZMCWYRMSA-N 1 0 387.307 2.818 20 0 GFADRO [NH3+]C[C@@H](NC(=O)c1ccc(Cl)c(I)c1)C(F)(F)F ZINC000594451912 565386497 /nfs/dbraw/zinc/38/64/97/565386497.db2.gz STGGTKHQAFDCIU-MRVPVSSYSA-N 1 0 392.546 2.564 20 0 GFADRO O=C(C(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1)c1ccc(Br)cc1 ZINC000662843211 565387336 /nfs/dbraw/zinc/38/73/36/565387336.db2.gz RDGNDCRVGSHFBQ-HNNXBMFYSA-N 1 0 379.298 2.870 20 0 GFADRO C[C@H](C[NH+](C)C)[C@@H]1CCCCN1S(=O)(=O)c1onc(C2CC2)c1Cl ZINC000641623846 565388495 /nfs/dbraw/zinc/38/84/95/565388495.db2.gz KNMMEZJEVHWGKT-YPMHNXCESA-N 1 0 375.922 2.946 20 0 GFADRO CC(C)([NH3+])c1nocc1C(=O)N1CCOc2cc(Br)ccc2C1 ZINC000662939453 565389672 /nfs/dbraw/zinc/38/96/72/565389672.db2.gz NXVQGCLLIXEURI-UHFFFAOYSA-N 1 0 380.242 2.666 20 0 GFADRO CN(Cc1ccc(Cl)s1)C(=O)C(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662923866 565389812 /nfs/dbraw/zinc/38/98/12/565389812.db2.gz UBDJGRXGTJZVOH-AWEZNQCLSA-N 1 0 383.945 2.598 20 0 GFADRO C[C@]([NH3+])(C(=O)N1CCO[C@H](CC(F)(F)F)C1)c1ccc(Br)cc1 ZINC000662950528 565391099 /nfs/dbraw/zinc/39/10/99/565391099.db2.gz MJVFHKPCMGXJSL-TZMCWYRMSA-N 1 0 395.219 2.803 20 0 GFADRO Brc1cc2ncnc(NC3CC[NH+](C4CCOCC4)CC3)c2s1 ZINC000641657168 565392032 /nfs/dbraw/zinc/39/20/32/565392032.db2.gz QMPCLFCXWYRTDB-UHFFFAOYSA-N 1 0 397.342 3.509 20 0 GFADRO C[C@]([NH3+])(C(=O)N1CCO[C@@](C)(C(F)F)C1)c1ccc(Br)cc1 ZINC000663001738 565392139 /nfs/dbraw/zinc/39/21/39/565392139.db2.gz IZZIKCGPLGMNPA-HUUCEWRRSA-N 1 0 377.229 2.506 20 0 GFADRO O=C(c1ccsc1Cl)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000663017740 565393738 /nfs/dbraw/zinc/39/37/38/565393738.db2.gz RIXRDEJFDDLFDR-LBPRGKRZSA-N 1 0 379.917 2.554 20 0 GFADRO OC[C@@H](CC(F)(F)F)[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000641745704 565397318 /nfs/dbraw/zinc/39/73/18/565397318.db2.gz ZUOLEBFOVCIQEM-CYBMUJFWSA-N 1 0 397.235 2.689 20 0 GFADRO C[C@H]1OCC[C@]1(O)C[NH2+]Cc1cc(Br)sc1Br ZINC000641750779 565397462 /nfs/dbraw/zinc/39/74/62/565397462.db2.gz NDCWTYKTWWQQEZ-HQJQHLMTSA-N 1 0 385.121 2.903 20 0 GFADRO C[C@H](CNC(=O)CNC(=O)c1ccc(Cl)c(Cl)c1)[NH+]1CCC(C)CC1 ZINC000620787740 565397445 /nfs/dbraw/zinc/39/74/45/565397445.db2.gz JWKRGHOOBSYNGM-CYBMUJFWSA-N 1 0 386.323 2.960 20 0 GFADRO C[C@@H]1CN(C(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)C[C@H](CC(F)(F)F)O1 ZINC000620805602 565398134 /nfs/dbraw/zinc/39/81/34/565398134.db2.gz MNIPZHUNNDABNR-YUELXQCFSA-N 1 0 380.476 2.772 20 0 GFADRO Cc1cc(Br)ccc1[C@H](C)[NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000641776776 565398886 /nfs/dbraw/zinc/39/88/86/565398886.db2.gz CIFNDRRQVABAIF-STQMWFEESA-N 1 0 375.332 2.690 20 0 GFADRO CC[C@@H]1CN(C(=O)c2ccn(-c3cccc(Br)c3)n2)C[C@H](C)[NH2+]1 ZINC000620903370 565400816 /nfs/dbraw/zinc/40/08/16/565400816.db2.gz OOEXRUPVBGOBIU-GXTWGEPZSA-N 1 0 377.286 2.847 20 0 GFADRO CCn1cc(Br)cc1C(=O)N1CC2(CCCC2)OC[C@H]1C[NH+](C)C ZINC000620914888 565402325 /nfs/dbraw/zinc/40/23/25/565402325.db2.gz BKOWIAPNTVOTJM-OAHLLOKOSA-N 1 0 398.345 2.986 20 0 GFADRO C[NH+](C)CCC[C@@H]1CN(C(=O)CCc2cccc(Br)c2)CCO1 ZINC000620963417 565402445 /nfs/dbraw/zinc/40/24/45/565402445.db2.gz FPKWEASAWACGFR-QGZVFWFLSA-N 1 0 383.330 2.951 20 0 GFADRO CO[C@@H](C(=O)N1CCO[C@H](CCC[NH+](C)C)C1)c1ccccc1Br ZINC000620979410 565403037 /nfs/dbraw/zinc/40/30/37/565403037.db2.gz FYRJLKHUEKAASE-RHSMWYFYSA-N 1 0 399.329 2.706 20 0 GFADRO CCn1c(SCC(=O)NC[C@H](C)[NH+](C)C)nnc1-c1ccc(Cl)cc1 ZINC000642152825 565406345 /nfs/dbraw/zinc/40/63/45/565406345.db2.gz TUVPOKNOZXWYHG-LBPRGKRZSA-N 1 0 381.933 2.777 20 0 GFADRO O=C(NC1CC[NH+](C2CC2)CC1)c1ccc(-n2cc(Br)cn2)cc1 ZINC000642202681 565407569 /nfs/dbraw/zinc/40/75/69/565407569.db2.gz IVNQZPAAKXYRHI-UHFFFAOYSA-N 1 0 389.297 2.991 20 0 GFADRO O=C(NCCC[NH+]1CCCC1)c1ccc(-n2cc(Br)cn2)cc1 ZINC000642199194 565407714 /nfs/dbraw/zinc/40/77/14/565407714.db2.gz FPTWKJLSFSBZTA-UHFFFAOYSA-N 1 0 377.286 2.851 20 0 GFADRO CC(C)[C@@H]1CN(C(=O)c2ccc(-n3cc(Br)cn3)cc2)CC[NH2+]1 ZINC000621151140 565408739 /nfs/dbraw/zinc/40/87/39/565408739.db2.gz UMGSQYBLKGCNBK-INIZCTEOSA-N 1 0 377.286 2.705 20 0 GFADRO C[NH+]1CCN(Cc2ccc(NC(=O)c3cc(Br)c[nH]3)cc2)CC1 ZINC000642571331 565415283 /nfs/dbraw/zinc/41/52/83/565415283.db2.gz NVFQJJZFXMIGPI-UHFFFAOYSA-N 1 0 377.286 2.777 20 0 GFADRO Cc1nc(-c2cccs2)c(CC(=O)NCCCC[NH+]2CCOCC2)s1 ZINC000642674803 565416109 /nfs/dbraw/zinc/41/61/09/565416109.db2.gz YBWWFLAMWYBNHV-UHFFFAOYSA-N 1 0 379.551 2.951 20 0 GFADRO COCC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1c(C)c(Cl)cc(C)c1Cl ZINC000594762569 565416617 /nfs/dbraw/zinc/41/66/17/565416617.db2.gz LNLFPVORWFZBJU-ZDUSSCGKSA-N 1 0 395.352 2.999 20 0 GFADRO O=C(c1cc2c(cc1Br)OCO2)N1CCN(c2cc[nH+]cc2)CC1 ZINC000621294938 565417035 /nfs/dbraw/zinc/41/70/35/565417035.db2.gz SPXMFLXGXUKLEV-UHFFFAOYSA-N 1 0 390.237 2.535 20 0 GFADRO C[N@H+](CCCNC(=O)c1cc(Br)c[nH]c1=O)Cc1ccccc1 ZINC000621294473 565417246 /nfs/dbraw/zinc/41/72/46/565417246.db2.gz CCCSXZWQJBVDSB-UHFFFAOYSA-N 1 0 378.270 2.802 20 0 GFADRO Cc1cc(Br)cc(C)c1S(=O)(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000594775141 565419150 /nfs/dbraw/zinc/41/91/50/565419150.db2.gz NGNTVIDIOGJCCQ-ZDUSSCGKSA-N 1 0 375.332 2.686 20 0 GFADRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)COCC(F)(F)F)CC1 ZINC000643119883 565421861 /nfs/dbraw/zinc/42/18/61/565421861.db2.gz WHTVSSWLRDHVKS-UHFFFAOYSA-N 1 0 379.810 2.999 20 0 GFADRO C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+]1CC[C@@H](C)[C@H](CO)C1 ZINC000621364825 565422802 /nfs/dbraw/zinc/42/28/02/565422802.db2.gz LZHFLFDWWBAJKD-YCPHGPKFSA-N 1 0 383.330 2.746 20 0 GFADRO C[C@@]1(NC(=O)Nc2cccc(Oc3ncc(Br)cn3)c2)CC[NH2+]C1 ZINC000663586818 565426719 /nfs/dbraw/zinc/42/67/19/565426719.db2.gz AKLMQWIUGHOKAP-MRXNPFEDSA-N 1 0 392.257 2.905 20 0 GFADRO CCC([NH3+])(CC)CNC(=O)C(=O)Nc1ccc(OC(F)(F)F)cc1Cl ZINC000663606194 565428721 /nfs/dbraw/zinc/42/87/21/565428721.db2.gz YBPNWGYZPNBZHF-UHFFFAOYSA-N 1 0 381.782 2.811 20 0 GFADRO CS(=O)(=O)N1CCC([NH2+][C@H]2C[C@H](c3ccc(Br)cc3)C2)CC1 ZINC000643321561 565430067 /nfs/dbraw/zinc/43/00/67/565430067.db2.gz FYCKLRQPKLUULT-SAZUREKKSA-N 1 0 387.343 2.709 20 0 GFADRO COC[C@@]1(C(=O)N[C@H]2C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)CC[NH2+]C1 ZINC000643477160 565434040 /nfs/dbraw/zinc/43/40/40/565434040.db2.gz RZILWDIBUBIPEK-MPPDQPJWSA-N 1 0 376.341 2.638 20 0 GFADRO O=C(CC[C@@H]1CCC[NH2+]C1)NC[C@H](O)COc1cccc(Cl)c1Cl ZINC000621629653 565434137 /nfs/dbraw/zinc/43/41/37/565434137.db2.gz GNPGSCGDFMMVGK-STQMWFEESA-N 1 0 375.296 2.629 20 0 GFADRO COc1ccc(NC(=O)c2cnn([C@H]3CCC[NH2+]C3)c2)c(Br)c1 ZINC000643490385 565434222 /nfs/dbraw/zinc/43/42/22/565434222.db2.gz FXYYMJBCZJSICH-LBPRGKRZSA-N 1 0 379.258 2.831 20 0 GFADRO C[N@@H+]1CCC[C@@H](NC(=O)N2CCOC[C@H]2c2ccc(Br)cc2)C1 ZINC000663775543 565434647 /nfs/dbraw/zinc/43/46/47/565434647.db2.gz YYWYHHXVETWYNU-CVEARBPZSA-N 1 0 382.302 2.626 20 0 GFADRO O=S1(=O)CC[C@H](N[C@@H]2CC[NH2+]C3(CCC3)C2)c2cc(Br)ccc21 ZINC000643548864 565435056 /nfs/dbraw/zinc/43/50/56/565435056.db2.gz WIJIVGWJXKOSFP-HIFRSBDPSA-N 1 0 399.354 2.932 20 0 GFADRO COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]CCC(=O)N(C)Cc1ccccc1Br ZINC000594924387 565435757 /nfs/dbraw/zinc/43/57/57/565435757.db2.gz NKIUNXTZNNROPY-BPLDGKMQSA-N 1 0 397.313 2.585 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)c1cc(Br)c[nH]c1=O)c1ccc(F)cc1 ZINC000621677564 565435841 /nfs/dbraw/zinc/43/58/41/565435841.db2.gz UFHFFKPAKLFXMR-AWEZNQCLSA-N 1 0 382.233 2.722 20 0 GFADRO NC(=O)CC1(C[NH2+]Cc2cc(Cl)ccc2I)CC1 ZINC000594951514 565436870 /nfs/dbraw/zinc/43/68/70/565436870.db2.gz UOCHPHYAKRLMEU-UHFFFAOYSA-N 1 0 378.641 2.690 20 0 GFADRO [NH3+][C@@]12CCC[C@H]1CN(C(=O)CNC(=O)c1sc3ccccc3c1Cl)C2 ZINC000621682277 565437019 /nfs/dbraw/zinc/43/70/19/565437019.db2.gz CMQAGGFISKCHEW-BBATYDOGSA-N 1 0 377.897 2.624 20 0 GFADRO O=C(NCCc1ccc(F)c(Br)c1)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000594972395 565438483 /nfs/dbraw/zinc/43/84/83/565438483.db2.gz LTCPJTXHWZQTGX-CQSZACIVSA-N 1 0 384.293 2.914 20 0 GFADRO CO[C@@H]1CCC[C@@H]([C@@H](CO)[NH2+]Cc2cccc(I)c2)C1 ZINC000594965594 565438544 /nfs/dbraw/zinc/43/85/44/565438544.db2.gz PWCFIMRVMVMSRI-FVQBIDKESA-N 1 0 389.277 2.947 20 0 GFADRO O[C@H]1C[C@@H]([NH2+]Cc2c(F)ccc(I)c2F)C12CCC2 ZINC000594986849 565439485 /nfs/dbraw/zinc/43/94/85/565439485.db2.gz IDAADBXUCGAHBP-NEPJUHHUSA-N 1 0 379.188 2.963 20 0 GFADRO C[NH+](C)CCC[C@@H]1CN(C(=O)NCc2ccccc2Br)CCO1 ZINC000663857264 565439730 /nfs/dbraw/zinc/43/97/30/565439730.db2.gz FUBCNIYQVPMTPN-OAHLLOKOSA-N 1 0 384.318 2.701 20 0 GFADRO CN(C)c1nccc(C[NH2+][C@@H]2CCc3ccc(I)cc32)n1 ZINC000595024591 565443499 /nfs/dbraw/zinc/44/34/99/565443499.db2.gz BEFCFFHZLZYACC-OAHLLOKOSA-N 1 0 394.260 2.924 20 0 GFADRO O=C(Nc1ccc(I)cc1F)[C@@H]1C[NH2+]CCC1(F)F ZINC000595255316 565459532 /nfs/dbraw/zinc/45/95/32/565459532.db2.gz ORYRRXVZEGUKGC-QMMMGPOBSA-N 1 0 384.139 2.614 20 0 GFADRO NC(=O)c1ccc(C[NH2+][C@H]2CCc3ccc(I)cc32)cn1 ZINC000595021079 565443875 /nfs/dbraw/zinc/44/38/75/565443875.db2.gz PAYXATHNUWDQNW-AWEZNQCLSA-N 1 0 393.228 2.562 20 0 GFADRO COC[C@](C)(O)CC[NH2+][C@H]1CCc2ccc(I)cc21 ZINC000595039773 565444601 /nfs/dbraw/zinc/44/46/01/565444601.db2.gz CIOYPFLSEJJUQF-LSDHHAIUSA-N 1 0 375.250 2.656 20 0 GFADRO O=C(NCC(F)(F)c1ccc(Br)cc1)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000621850817 565444625 /nfs/dbraw/zinc/44/46/25/565444625.db2.gz DZLUWUWSRLRIHB-BXUZGUMPSA-N 1 0 388.256 2.934 20 0 GFADRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+][C@H]1CCc2ccc(I)cc21 ZINC000595036932 565444626 /nfs/dbraw/zinc/44/46/26/565444626.db2.gz XNNYGGMWIJKGAJ-YUELXQCFSA-N 1 0 384.261 2.783 20 0 GFADRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)NCC(F)(F)c1ccc(Br)cc1 ZINC000621847640 565445192 /nfs/dbraw/zinc/44/51/92/565445192.db2.gz GWPHXIOTFMMHTA-GWCFXTLKSA-N 1 0 376.245 2.838 20 0 GFADRO O=C(c1cc2c(cc1Br)OCO2)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000621856746 565445210 /nfs/dbraw/zinc/44/52/10/565445210.db2.gz CFFWICDUDCDLLH-LBPRGKRZSA-N 1 0 381.270 2.878 20 0 GFADRO O=C(N[C@H]1CCc2c1cccc2Br)N1CCN([C@@H]2CCOC2)CC1 ZINC000663954802 565445495 /nfs/dbraw/zinc/44/54/95/565445495.db2.gz CHEKQHRAODTWAU-DYVFJYSZSA-N 1 0 394.313 2.553 20 0 GFADRO O=C(c1cc2c(cc1Br)OCO2)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000621878877 565446994 /nfs/dbraw/zinc/44/69/94/565446994.db2.gz CXELCXNAOUWMGN-LBPRGKRZSA-N 1 0 381.270 2.736 20 0 GFADRO CC[NH+](CC)C[C@@H]1CCN(C(=O)c2cc3c(cc2Br)OCO3)C1 ZINC000621890895 565447622 /nfs/dbraw/zinc/44/76/22/565447622.db2.gz NPMYUZBJJQRTPI-LBPRGKRZSA-N 1 0 383.286 2.982 20 0 GFADRO C[C@H]1CC2(CN1C(=O)c1cc3c(c(Br)c1)OCO3)CC[NH2+]CC2 ZINC000643844279 565448305 /nfs/dbraw/zinc/44/83/05/565448305.db2.gz ANAZZSISNSAYRH-NSHDSACASA-N 1 0 381.270 2.782 20 0 GFADRO Cc1c(Br)cncc1C(=O)Nc1ccnc(OCC[NH+](C)C)c1 ZINC000621936130 565449361 /nfs/dbraw/zinc/44/93/61/565449361.db2.gz UUZLRIHQBSCVND-UHFFFAOYSA-N 1 0 379.258 2.740 20 0 GFADRO Brc1ccc(N2CC[C@H](C[NH2+]C[C@H]3CNc4ccnn4C3)C2)cc1 ZINC000595153860 565452129 /nfs/dbraw/zinc/45/21/29/565452129.db2.gz PORUYHGGJHZXJE-CABCVRRESA-N 1 0 390.329 2.803 20 0 GFADRO [NH3+][C@@]12CCC[C@@H]1CN(S(=O)(=O)c1cccc(Br)c1Cl)C2 ZINC000622015383 565455638 /nfs/dbraw/zinc/45/56/38/565455638.db2.gz VLZMPCQQNWOOGI-NOZJJQNGSA-N 1 0 379.707 2.604 20 0 GFADRO COc1ccc([C@@H](C)NC(=O)[C@H]2C[NH2+]CCC2(F)F)cc1Br ZINC000644041571 565456476 /nfs/dbraw/zinc/45/64/76/565456476.db2.gz ZDRVUKNCFMMAEI-MWLCHTKSSA-N 1 0 377.229 2.880 20 0 GFADRO Cc1[nH+]c2ccc(Br)cc2c(NC[C@]2(OCCO)CCOC2)c1C ZINC000664239026 565456929 /nfs/dbraw/zinc/45/69/29/565456929.db2.gz NOVINYFHUYVXBJ-GOSISDBHSA-N 1 0 395.297 2.616 20 0 GFADRO CCOC(=O)c1cc(Br)ccc1NC(=O)N1CC2CC1(C[NH3+])C2 ZINC000595231488 565457162 /nfs/dbraw/zinc/45/71/62/565457162.db2.gz XDLLBAXGHGFXDI-UHFFFAOYSA-N 1 0 382.258 2.581 20 0 GFADRO [NH3+]C1(CNC(=O)Nc2cc(F)c(F)cc2I)CCCC1 ZINC000595235290 565457192 /nfs/dbraw/zinc/45/71/92/565457192.db2.gz LQZNXPXYFHWVAE-UHFFFAOYSA-N 1 0 395.191 2.962 20 0 GFADRO CC[C@H](Cc1cccc(Br)c1)C(=O)N1CC[C@H](OC)C[C@H]1C[NH3+] ZINC000644106055 565459163 /nfs/dbraw/zinc/45/91/63/565459163.db2.gz MMZZZJQOCUBNCD-PVAVHDDUSA-N 1 0 383.330 2.983 20 0 GFADRO O=C(c1cn(-c2ccc(Br)cc2)cn1)N(C1CC1)C1CC[NH2+]CC1 ZINC000644095167 565459448 /nfs/dbraw/zinc/45/94/48/565459448.db2.gz ABYCKGKFBJOYJG-UHFFFAOYSA-N 1 0 389.297 2.991 20 0 GFADRO CC[NH2+]CCCNC(=O)NCc1cc(Cl)ccc1I ZINC000595267071 565460101 /nfs/dbraw/zinc/46/01/01/565460101.db2.gz FKIQHURHGZVWBW-UHFFFAOYSA-N 1 0 395.672 2.743 20 0 GFADRO O=C(CCn1cc(Br)cn1)N1CC[NH2+]C[C@@H]1c1cccc(Cl)c1 ZINC000644130181 565460451 /nfs/dbraw/zinc/46/04/51/565460451.db2.gz NHJBBEYMILPAKV-OAHLLOKOSA-N 1 0 397.704 2.862 20 0 GFADRO O=C(N[C@H]1CC12CC[NH2+]CC2)c1cn(-c2ccc(Br)cc2)cn1 ZINC000644145525 565460956 /nfs/dbraw/zinc/46/09/56/565460956.db2.gz JPJAWZGGWNOFQJ-HNNXBMFYSA-N 1 0 375.270 2.507 20 0 GFADRO O=C(N[C@@H]1CC12CC[NH2+]CC2)c1ccc(-n2cc(Br)cn2)cc1 ZINC000644144461 565461910 /nfs/dbraw/zinc/46/19/10/565461910.db2.gz BFZCPBBFRASHRA-OAHLLOKOSA-N 1 0 375.270 2.507 20 0 GFADRO CCN(C(=O)NCCOc1ncc(Cl)cc1Cl)[C@H]1CC[N@H+](CC)C1 ZINC000664445988 565463666 /nfs/dbraw/zinc/46/36/66/565463666.db2.gz VAAQUMPHDUZZKO-ZDUSSCGKSA-N 1 0 375.300 2.893 20 0 GFADRO C[C@@H](C[NH+]1CCOCC1)C(=O)NCC(F)(F)c1ccc(Br)cc1 ZINC000622207543 565467785 /nfs/dbraw/zinc/46/77/85/565467785.db2.gz KEYBDUSXYWSSKT-LBPRGKRZSA-N 1 0 391.256 2.625 20 0 GFADRO C[N@@H+]1C[C@H]2CCN(S(=O)(=O)c3cc(Cl)ccc3OCC3CCC3)[C@@H]2C1 ZINC000644299286 565470991 /nfs/dbraw/zinc/47/09/91/565470991.db2.gz ISXSDVJYHXZLDQ-GDBMZVCRSA-N 1 0 384.929 2.844 20 0 GFADRO C[NH+]1CCC(CCO)(NC(=O)CCOc2ccc(Cl)cc2Cl)CC1 ZINC000622490487 565471277 /nfs/dbraw/zinc/47/12/77/565471277.db2.gz ZAJYOWSIWYHCKL-UHFFFAOYSA-N 1 0 375.296 2.725 20 0 GFADRO O=C(NC[C@H]1CCC[N@H+](CC2CC2)C1)C(=O)Nc1ccc(Br)cc1 ZINC000664675171 565472478 /nfs/dbraw/zinc/47/24/78/565472478.db2.gz PJGKFPRZKUPFPS-CQSZACIVSA-N 1 0 394.313 2.626 20 0 GFADRO [NH3+][C@@H]1CC[C@H](C(F)(F)F)N(C(=O)COc2ccc(Br)cc2F)C1 ZINC000622761646 565473539 /nfs/dbraw/zinc/47/35/39/565473539.db2.gz VYDDUFCCYYLZBX-BXKDBHETSA-N 1 0 399.182 2.848 20 0 GFADRO CN(Cc1ccccc1)C[C@H](O)C[NH2+]CCNc1ncc(Cl)cc1Cl ZINC000644523604 565479957 /nfs/dbraw/zinc/47/99/57/565479957.db2.gz DYLCDYFBJHEKJC-MRXNPFEDSA-N 1 0 383.323 2.883 20 0 GFADRO CN(Cc1ccccc1)C[C@@H](O)C[NH2+]CCNc1ncc(Cl)cc1Cl ZINC000644523601 565480857 /nfs/dbraw/zinc/48/08/57/565480857.db2.gz DYLCDYFBJHEKJC-INIZCTEOSA-N 1 0 383.323 2.883 20 0 GFADRO CC(=O)NC1CCC([NH2+]C[C@@H](O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000644536508 565480906 /nfs/dbraw/zinc/48/09/06/565480906.db2.gz BCAOHNYXCWPPAL-JXQTWKCFSA-N 1 0 375.296 2.770 20 0 GFADRO CS(=O)(=O)[C@@H]1CCC[C@@H]([NH2+]C[C@H](O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000644573393 565482838 /nfs/dbraw/zinc/48/28/38/565482838.db2.gz ZUXHZJWBUZUJRP-MBNYWOFBSA-N 1 0 396.336 2.679 20 0 GFADRO C[C@@H](Cc1cc(Br)ccc1F)[NH2+]C[C@H](O)COC1CCOCC1 ZINC000644609297 565483573 /nfs/dbraw/zinc/48/35/73/565483573.db2.gz ZNGWOSNLHIMANK-WFASDCNBSA-N 1 0 390.293 2.665 20 0 GFADRO C[C@H](C[C@@H]1CCOC1)[NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000644593811 565483981 /nfs/dbraw/zinc/48/39/81/565483981.db2.gz LSZSHNFRAOUOAL-TYNCELHUSA-N 1 0 376.266 2.733 20 0 GFADRO O[C@@H](C[NH2+]Cc1cnn(CC(F)(F)F)c1)COCc1ccccc1Cl ZINC000644600635 565484021 /nfs/dbraw/zinc/48/40/21/565484021.db2.gz WOQXJPDVHJUHLT-AWEZNQCLSA-N 1 0 377.794 2.766 20 0 GFADRO C[N@H+](C[C@@H](O)CN[C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O)C1CC1 ZINC000644631158 565486780 /nfs/dbraw/zinc/48/67/80/565486780.db2.gz HPBZBKQAEIKUCL-GOEBONIOSA-N 1 0 386.323 2.534 20 0 GFADRO CS(=O)(=O)C1(C[NH2+]C[C@H](O)Cc2ccccc2C(F)(F)F)CCCC1 ZINC000644646754 565487939 /nfs/dbraw/zinc/48/79/39/565487939.db2.gz RSMBKNBKHPRGHE-CQSZACIVSA-N 1 0 379.444 2.556 20 0 GFADRO COC(=O)[C@@H](c1cccc(Cl)c1Cl)N(C)C[C@H](O)C[N@H+](C)C(C)C ZINC000595853781 565494789 /nfs/dbraw/zinc/49/47/89/565494789.db2.gz YBXBDSKEXGXCFP-MLGOLLRUSA-N 1 0 377.312 2.840 20 0 GFADRO CCOc1c(Br)cc(C(=O)N2CC[C@H]3C[N@H+](C)C[C@@H]32)cc1OC ZINC000644820309 565497104 /nfs/dbraw/zinc/49/71/04/565497104.db2.gz VSESABQIGLXVAX-FZMZJTMJSA-N 1 0 383.286 2.633 20 0 GFADRO C[N@@H+]1C[C@H]2CCN(C(=O)c3cc(-c4ccc(Br)cc4)n[nH]3)[C@H]2C1 ZINC000644811594 565497254 /nfs/dbraw/zinc/49/72/54/565497254.db2.gz AWIOOTGIPRCVKA-WBMJQRKESA-N 1 0 375.270 2.615 20 0 GFADRO COC(=O)[C@@H](NC(=O)c1cc2c(s1)CC[NH2+]C2)c1ccc(Cl)c(F)c1 ZINC000595954779 565502430 /nfs/dbraw/zinc/50/24/30/565502430.db2.gz BHIJDVZNAVIUQR-HNNXBMFYSA-N 1 0 382.844 2.830 20 0 GFADRO COC(=O)[C@H](NC(=O)C[C@H](C)[C@H]1CCC[NH2+]C1)c1ccccc1Br ZINC000595971111 565503543 /nfs/dbraw/zinc/50/35/43/565503543.db2.gz PPEVBTMJQDBTPE-GDZNZVCISA-N 1 0 397.313 2.805 20 0 GFADRO CC[C@H]1[NH2+]CC[C@H]1C(=O)N1Cc2sc(C(=O)OC)c(Br)c2C1 ZINC000596000768 565504641 /nfs/dbraw/zinc/50/46/41/565504641.db2.gz OYIVIZWSZIAKQY-PSASIEDQSA-N 1 0 387.299 2.528 20 0 GFADRO CCC[NH2+][C@H](C)C(=O)N1Cc2sc(C(=O)OC)c(Br)c2C1 ZINC000596000766 565504656 /nfs/dbraw/zinc/50/46/56/565504656.db2.gz ORTIYKXVBOIDDN-MRVPVSSYSA-N 1 0 375.288 2.528 20 0 GFADRO COC(=O)c1sc2c(c1Br)CN(C(=O)CC[C@H]1CC[NH2+]C1)C2 ZINC000595999185 565504854 /nfs/dbraw/zinc/50/48/54/565504854.db2.gz MQHMXECKVFXNBN-VIFPVBQESA-N 1 0 387.299 2.529 20 0 GFADRO COC(=O)c1sc2c(c1Br)CN(C(=O)[C@@H]1CC[C@@H](C3CC3)[NH2+]1)C2 ZINC000596007110 565505514 /nfs/dbraw/zinc/50/55/14/565505514.db2.gz ZVZDQDQRHOMFQM-QWRGUYRKSA-N 1 0 399.310 2.670 20 0 GFADRO CC[NH+](CC)CCS(=O)(=O)N[C@H](C)c1ccc(F)c(Br)c1 ZINC000645094200 565511661 /nfs/dbraw/zinc/51/16/61/565511661.db2.gz FPOKZOQWWBZMOP-LLVKDONJSA-N 1 0 381.311 2.910 20 0 GFADRO CC(C)(CO)C[NH2+]Cc1cc(Cl)cc(Cl)c1OCCN1CCOCC1 ZINC000623467262 565512416 /nfs/dbraw/zinc/51/24/16/565512416.db2.gz AZOMLBCUGUFRMD-UHFFFAOYSA-N 1 0 391.339 2.813 20 0 GFADRO NC(=O)C[C@@H]([NH2+]Cc1cc2c(c(Br)c1)OCO2)c1ccccc1 ZINC000645207493 565516961 /nfs/dbraw/zinc/51/69/61/565516961.db2.gz HCZWTFHVVSCUOH-CQSZACIVSA-N 1 0 377.238 2.884 20 0 GFADRO CC[C@H](C)[N@H+](C)CCNC(=O)NCc1cc(OC)c(O)cc1Br ZINC000645250452 565518495 /nfs/dbraw/zinc/51/84/95/565518495.db2.gz QPPFLGLDVWWMAQ-NSHDSACASA-N 1 0 388.306 2.693 20 0 GFADRO C[NH+](C)[C@]1(CNC(=O)NCC[C@@H]2CSc3ccccc3O2)CCSC1 ZINC000645260649 565518993 /nfs/dbraw/zinc/51/89/93/565518993.db2.gz LWJUMPGSOPEJIJ-KDOFPFPSSA-N 1 0 381.567 2.666 20 0 GFADRO O=C(Nc1cc(Br)ccc1F)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000666047672 565520720 /nfs/dbraw/zinc/52/07/20/565520720.db2.gz XZUZWYIQUMVGKA-CYBMUJFWSA-N 1 0 386.265 2.651 20 0 GFADRO COc1cc(C[NH2+]C[C@H]2CCCN2CC(F)F)cc(Br)c1O ZINC000623626891 565522217 /nfs/dbraw/zinc/52/22/17/565522217.db2.gz IVCZXSFJZBFLFN-LLVKDONJSA-N 1 0 379.245 2.982 20 0 GFADRO CN(C)C(=O)CN1CCC([NH2+]Cc2cccc(Br)c2Cl)CC1 ZINC000666196945 565526761 /nfs/dbraw/zinc/52/67/61/565526761.db2.gz MECYPKCDJOEVRD-UHFFFAOYSA-N 1 0 388.737 2.745 20 0 GFADRO Cc1cc(CNC(=O)NCC[C@H](C)[NH+](C)C)ccc1I ZINC000596590000 565528702 /nfs/dbraw/zinc/52/87/02/565528702.db2.gz HZQWROJJMYDAFJ-LBPRGKRZSA-N 1 0 389.281 2.739 20 0 GFADRO Cc1c(Br)cc(C[NH2+]CCN2CC[C@@H](O)C2)cc1Br ZINC000623759568 565529445 /nfs/dbraw/zinc/52/94/45/565529445.db2.gz QGFXRWBOUGVBLR-GFCCVEGCSA-N 1 0 392.135 2.676 20 0 GFADRO C[C@@H]1CCC[N@@H+](C(C)(C)CNS(=O)(=O)c2ncccc2C(F)(F)F)C1 ZINC000645486769 565530757 /nfs/dbraw/zinc/53/07/57/565530757.db2.gz JOHIIPRIICZWMU-GFCCVEGCSA-N 1 0 379.448 2.889 20 0 GFADRO COCC[N@H+](C)CCCNC(=O)c1cc(-c2cccc(Br)c2)no1 ZINC000666342874 565532461 /nfs/dbraw/zinc/53/24/61/565532461.db2.gz RUGRUTYTSQLANL-UHFFFAOYSA-N 1 0 396.285 2.802 20 0 GFADRO O=S(=O)(CCC[C@@H]1CCOC1)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000645503742 565532896 /nfs/dbraw/zinc/53/28/96/565532896.db2.gz MMRMKQHVRVHEGC-SJORKVTESA-N 1 0 386.583 2.696 20 0 GFADRO Cc1ccc(Br)cc1[C@@H](C)[NH2+][C@H]1CCCN(S(C)(=O)=O)C1 ZINC000623879089 565534308 /nfs/dbraw/zinc/53/43/08/565534308.db2.gz XRMXGQYHRXUUCE-OCCSQVGLSA-N 1 0 375.332 2.832 20 0 GFADRO CCN(C(=O)Nc1ccc(Br)c(C(=O)OC)c1)[C@@H]1CC[N@H+](C)C1 ZINC000596821838 565537712 /nfs/dbraw/zinc/53/77/12/565537712.db2.gz YJHABHUAGIVVDR-GFCCVEGCSA-N 1 0 384.274 2.794 20 0 GFADRO C[C@@H]([NH2+]CCNS(=O)(=O)c1cccc(Cl)c1Cl)[C@H]1CCCCO1 ZINC000623982041 565539033 /nfs/dbraw/zinc/53/90/33/565539033.db2.gz AQKFVGGMRUQWTQ-DGCLKSJQSA-N 1 0 381.325 2.819 20 0 GFADRO COc1cc(OC)c([C@@H](C)[NH2+][C@@H]2CCCC[C@H]2NS(C)(=O)=O)cc1Cl ZINC000624136200 565545001 /nfs/dbraw/zinc/54/50/01/565545001.db2.gz ADDIVMGGUCQSDX-KCPJHIHWSA-N 1 0 390.933 2.868 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CN(C(=O)Nc2ncc(Cc3ccccc3Cl)s2)CCO1 ZINC000666684394 565548007 /nfs/dbraw/zinc/54/80/07/565548007.db2.gz KJFQVKYKMOFTOR-ABAIWWIYSA-N 1 0 380.901 2.967 20 0 GFADRO C[C@@H]1CN(c2nccc(-c3ccc(Br)cc3)n2)[C@@H](C)C[N@@H+]1CCO ZINC000624285901 565550046 /nfs/dbraw/zinc/55/00/46/565550046.db2.gz BSEHQZPMEIHILX-KGLIPLIRSA-N 1 0 391.313 2.797 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)cc1Br ZINC000645694471 565552768 /nfs/dbraw/zinc/55/27/68/565552768.db2.gz NAFTXGVUIQVQQV-GOSISDBHSA-N 1 0 394.313 2.559 20 0 GFADRO O=S(=O)(N[C@H]1CC[NH2+]C12CCC2)c1cc(Cl)ccc1OC(F)(F)F ZINC000624379621 565553440 /nfs/dbraw/zinc/55/34/40/565553440.db2.gz ZVVWGEFOVRHXRV-LBPRGKRZSA-N 1 0 384.807 2.802 20 0 GFADRO [NH3+]C[C@@H]1CN(S(=O)(=O)Cc2ccc(F)c(Cl)c2)CC[C@H]1C(F)(F)F ZINC000624390987 565554793 /nfs/dbraw/zinc/55/47/93/565554793.db2.gz NTKRMBLGOMNHCQ-GHMZBOCLSA-N 1 0 388.814 2.768 20 0 GFADRO [NH3+]C[C@H]1CN(S(=O)(=O)c2c(Cl)ccc(F)c2F)CC[C@@H]1C(F)(F)F ZINC000624391938 565554821 /nfs/dbraw/zinc/55/48/21/565554821.db2.gz HBTYWWUKRYARME-YUMQZZPRSA-N 1 0 392.777 2.766 20 0 GFADRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC[C@H]1C(F)(F)F ZINC000624389970 565554863 /nfs/dbraw/zinc/55/48/63/565554863.db2.gz QTYZKBJPQBDWFE-BXKDBHETSA-N 1 0 390.349 2.853 20 0 GFADRO C[C@H](CNS(=O)(=O)Cc1ccc(Br)cc1Cl)C[NH+](C)C ZINC000645724845 565555004 /nfs/dbraw/zinc/55/50/04/565555004.db2.gz QHAXGMNMPCZJHI-SNVBAGLBSA-N 1 0 383.739 2.720 20 0 GFADRO CC[C@@H]1[NH2+]CC[C@H]1NS(=O)(=O)c1cc(Cl)c(OC)cc1Br ZINC000624393851 565555586 /nfs/dbraw/zinc/55/55/86/565555586.db2.gz MPTSCNXCERXBOJ-WDEREUQCSA-N 1 0 397.722 2.530 20 0 GFADRO C[C@@H]1CC[C@H](NS(=O)(=O)Cc2ccc(Cl)cc2Br)C[NH2+]1 ZINC000624403976 565555852 /nfs/dbraw/zinc/55/58/52/565555852.db2.gz DWZNRRXHEACDAX-SKDRFNHKSA-N 1 0 381.723 2.662 20 0 GFADRO [NH3+]C[C@@H]1CN(S(=O)(=O)Cc2ccc(Cl)c(F)c2)CC[C@@H]1C(F)(F)F ZINC000624392559 565556041 /nfs/dbraw/zinc/55/60/41/565556041.db2.gz UEPFEZGEUQSHDE-MNOVXSKESA-N 1 0 388.814 2.768 20 0 GFADRO COC(=O)c1ccc(C[NH2+]C[C@@H]2CC(=O)N(C(C)(C)C)C2)c(Br)c1 ZINC000597225637 565557141 /nfs/dbraw/zinc/55/71/41/565557141.db2.gz FWTSUAUKLPGILQ-LBPRGKRZSA-N 1 0 397.313 2.972 20 0 GFADRO COc1cc(Cl)c(S(=O)(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)cc1Cl ZINC000624412009 565557169 /nfs/dbraw/zinc/55/71/69/565557169.db2.gz DJNUWBYUOBRYSU-GASCZTMLSA-N 1 0 379.309 2.622 20 0 GFADRO CN(CC1C[NH+](C)C1)C(=O)Nc1ccnn1Cc1cccc(Br)c1 ZINC000666802331 565557964 /nfs/dbraw/zinc/55/79/64/565557964.db2.gz BSOGUQIPYYYWDH-UHFFFAOYSA-N 1 0 392.301 2.719 20 0 GFADRO O=C(NC[C@H]1CCCC[NH2+]1)Nc1cc(Br)ccc1N1CCOCC1 ZINC000666869553 565561455 /nfs/dbraw/zinc/56/14/55/565561455.db2.gz YCMYVTBXUAPJEO-CQSZACIVSA-N 1 0 397.317 2.549 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CN(C(=O)Nc2ccc(Cl)cc2OCC(F)(F)F)CCO1 ZINC000667104656 565570139 /nfs/dbraw/zinc/57/01/39/565570139.db2.gz OFZKZCNVQOKTDJ-RNCFNFMXSA-N 1 0 381.782 2.861 20 0 GFADRO CN(Cc1ccc(Br)cc1Cl)C(=O)NC[C@@H]1COCCN1C ZINC000624732504 565574026 /nfs/dbraw/zinc/57/40/26/565574026.db2.gz RKYDDTNDMAUHEF-CYBMUJFWSA-N 1 0 390.709 2.575 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)Nc2cc(Br)c(F)cc2Cl)CCCO1 ZINC000667183683 565575056 /nfs/dbraw/zinc/57/50/56/565575056.db2.gz OLSRNUSQQJTORM-MRVPVSSYSA-N 1 0 380.645 2.823 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CN(C(=O)Nc2cc(Br)ccc2N2CCCC2)CCO1 ZINC000667225150 565578280 /nfs/dbraw/zinc/57/82/80/565578280.db2.gz QTJUWLIKBMOSCH-MLGOLLRUSA-N 1 0 397.317 2.629 20 0 GFADRO COc1ccc(Br)cc1C1([NH2+]C[C@@H]2CCCS(=O)(=O)C2)CC1 ZINC000645973837 565578868 /nfs/dbraw/zinc/57/88/68/565578868.db2.gz RVPJSFANTFBUSX-LBPRGKRZSA-N 1 0 388.327 2.861 20 0 GFADRO Cc1cc(Br)cc(Cl)c1NC(=O)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000667264207 565580133 /nfs/dbraw/zinc/58/01/33/565580133.db2.gz GBLIRJDJXQUKEQ-NSHDSACASA-N 1 0 388.693 2.608 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)c2ccc(I)c(O)c2)C1 ZINC000597921968 565581319 /nfs/dbraw/zinc/58/13/19/565581319.db2.gz IPQXJKHAWANHQG-LLVKDONJSA-N 1 0 388.249 2.599 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CN(C(=O)Nc2nnc(-c3c(F)cccc3Cl)s2)CCO1 ZINC000667408781 565585218 /nfs/dbraw/zinc/58/52/18/565585218.db2.gz WRSQINNSVOVDBO-LDYMZIIASA-N 1 0 385.852 2.578 20 0 GFADRO CC(=O)Nc1cc(OCC2C[NH2+]C2)c(Br)cc1Br ZINC000646071310 565586146 /nfs/dbraw/zinc/58/61/46/565586146.db2.gz OUMDRSSMGOVCCG-UHFFFAOYSA-N 1 0 378.064 2.768 20 0 GFADRO CNC(=O)[C@]1(C(F)(F)F)CC[N@H+](CCC(=O)Nc2ccccc2Cl)C1 ZINC000646109609 565586171 /nfs/dbraw/zinc/58/61/71/565586171.db2.gz WKWFXTZYLCNSCY-HNNXBMFYSA-N 1 0 377.794 2.669 20 0 GFADRO CCCC[N@H+](C[C@@H]1CCCN(S(C)(=O)=O)C1)[C@@H]1CCc2ncsc2C1 ZINC000646129505 565587939 /nfs/dbraw/zinc/58/79/39/565587939.db2.gz KDAUNOPZYPVTJA-JKSUJKDBSA-N 1 0 385.599 2.774 20 0 GFADRO Cc1c(F)c(Br)ccc1NC(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000667500458 565590074 /nfs/dbraw/zinc/59/00/74/565590074.db2.gz PGWCZWKXYCHSNJ-UHFFFAOYSA-N 1 0 388.281 2.817 20 0 GFADRO CCN(C(=O)c1cc(I)ccc1F)[C@@H]1CC[N@H+](CC)C1 ZINC000598042005 565590951 /nfs/dbraw/zinc/59/09/51/565590951.db2.gz UWUMQZSRWVBWDQ-GFCCVEGCSA-N 1 0 390.240 2.987 20 0 GFADRO C[C@H](Sc1ccc(Br)cc1)C(=O)N[C@@H](CO)C[NH+]1CCCC1 ZINC000646221213 565591899 /nfs/dbraw/zinc/59/18/99/565591899.db2.gz BQSPWGLLGXHYEU-GXTWGEPZSA-N 1 0 387.343 2.503 20 0 GFADRO CC(C)Oc1cc(Br)cc(NC(=O)C(=O)N2CCC(C)([NH3+])CC2)c1 ZINC000667513199 565592358 /nfs/dbraw/zinc/59/23/58/565592358.db2.gz FSYMTMYNHOKOMV-UHFFFAOYSA-N 1 0 398.301 2.515 20 0 GFADRO CC1([NH3+])CCN(C(=O)C(=O)Nc2cc(F)c(Br)c(Cl)c2)CC1 ZINC000667515221 565592610 /nfs/dbraw/zinc/59/26/10/565592610.db2.gz FFIPIAZBRGWVBI-UHFFFAOYSA-N 1 0 392.656 2.520 20 0 GFADRO O=C(Nc1cc(Cl)ccc1C(F)(F)F)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000667536885 565593216 /nfs/dbraw/zinc/59/32/16/565593216.db2.gz LUJZTDPZJQFFNO-RNCFNFMXSA-N 1 0 375.778 2.508 20 0 GFADRO CC[C@H]1CN(C(=O)C(=O)Nc2cc(Cl)cc(Br)c2)CC[C@H]1[NH3+] ZINC000667548462 565594799 /nfs/dbraw/zinc/59/47/99/565594799.db2.gz NSXJYJWZQPUQOK-TVQRCGJNSA-N 1 0 388.693 2.627 20 0 GFADRO FC(F)(F)COCCC[NH+]1CCN(Cc2ccncc2Br)CC1 ZINC000625103939 565598561 /nfs/dbraw/zinc/59/85/61/565598561.db2.gz NHWJMLKQZNJSLX-UHFFFAOYSA-N 1 0 396.251 2.931 20 0 GFADRO CCC(=O)N[C@@H]1CCCN([C@@H]2CCc3cc(Br)ccc3NC2=O)C1 ZINC000625119189 565599996 /nfs/dbraw/zinc/59/99/96/565599996.db2.gz MPKVURYWORLJTP-GDBMZVCRSA-N 1 0 394.313 2.693 20 0 GFADRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)C(=O)Nc2ccccc2SCC(F)(F)F)C1 ZINC000667682084 565600528 /nfs/dbraw/zinc/60/05/28/565600528.db2.gz CKCTVUJMUJBRAG-GHMZBOCLSA-N 1 0 375.416 2.523 20 0 GFADRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)Nc1cc(Cl)c(F)c(Cl)c1 ZINC000646385675 565601344 /nfs/dbraw/zinc/60/13/44/565601344.db2.gz MFBAGNPHHRDYCH-VIFPVBQESA-N 1 0 377.247 2.716 20 0 GFADRO CCN1C(=O)[C@@H]2C[N@H+](Cc3cc4cc(Br)ccc4o3)CCN2C1=O ZINC000667695319 565601697 /nfs/dbraw/zinc/60/16/97/565601697.db2.gz PBEMPEBQTWQXOL-AWEZNQCLSA-N 1 0 392.253 2.664 20 0 GFADRO C[C@H](Oc1ccccc1Br)C(=O)N1CCOC[C@@H]1[C@H]1CCC[N@@H+]1C ZINC000646455474 565603086 /nfs/dbraw/zinc/60/30/86/565603086.db2.gz OOQLGQQYPRECIR-NUEKZKHPSA-N 1 0 397.313 2.538 20 0 GFADRO C[N@@H+]1CCC[C@@H]1[C@H]1COCCN1C(=O)c1cc2cc(Br)ccc2[nH]1 ZINC000646446411 565603342 /nfs/dbraw/zinc/60/33/42/565603342.db2.gz HELQHBCSSRTWNY-IAGOWNOFSA-N 1 0 392.297 2.866 20 0 GFADRO C[C@H](Cc1ccc(Br)cc1)C(=O)N1CCOC[C@@H]1[C@H]1CCC[N@@H+]1C ZINC000646454218 565603603 /nfs/dbraw/zinc/60/36/03/565603603.db2.gz BGURPLSRAOIPQY-ZTFGCOKTSA-N 1 0 395.341 2.949 20 0 GFADRO [NH3+]Cc1cccc(NC(=O)N(CCO)Cc2cc(Br)cs2)c1 ZINC000667734916 565603872 /nfs/dbraw/zinc/60/38/72/565603872.db2.gz BSELFDVYPYDCEG-UHFFFAOYSA-N 1 0 384.299 2.996 20 0 GFADRO CN1CC[NH+](CC2CN(C(=O)[C@@H]3C[C@H]3c3ccc(Cl)cc3Cl)C2)CC1 ZINC000646458448 565603891 /nfs/dbraw/zinc/60/38/91/565603891.db2.gz YUXHMLQVKMNFPC-DLBZAZTESA-N 1 0 382.335 2.803 20 0 GFADRO O=C(Nc1cccc2c1CC[NH2+]C2)N[C@@H](CO)c1ccc(Br)cc1 ZINC000667749256 565604316 /nfs/dbraw/zinc/60/43/16/565604316.db2.gz COCNNZBOCJUOFZ-KRWDZBQOSA-N 1 0 390.281 2.950 20 0 GFADRO O=C(NCCCC[NH+]1CCOCC1)c1cc2cc(Br)sc2[nH]1 ZINC000646682583 565613189 /nfs/dbraw/zinc/61/31/89/565613189.db2.gz DWFGZGMGKHPBBI-UHFFFAOYSA-N 1 0 386.315 2.834 20 0 GFADRO C[C@H](CNC(=O)c1cc(Br)cc2[nH]c(=O)[nH]c21)[N@@H+]1CCC[C@H](C)C1 ZINC000646678196 565613694 /nfs/dbraw/zinc/61/36/94/565613694.db2.gz YKWOJNNDHRDBHX-WDEREUQCSA-N 1 0 395.301 2.881 20 0 GFADRO CCC[N@H+](C)CC(C)(C)NC(=O)c1ccc(I)c(O)c1 ZINC000598464760 565620388 /nfs/dbraw/zinc/62/03/88/565620388.db2.gz GRNJLYXKIANASC-UHFFFAOYSA-N 1 0 390.265 2.847 20 0 GFADRO O=C(NC[C@H]1CCC[N@H+]1CCCO)Nc1ccc(F)c(Br)c1F ZINC000668039666 565622996 /nfs/dbraw/zinc/62/29/96/565622996.db2.gz XJQXMJHOKGKKFL-SNVBAGLBSA-N 1 0 392.244 2.696 20 0 GFADRO CN(Cc1ccc(Cl)s1)C(=O)C(=O)NC[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000625367079 565623760 /nfs/dbraw/zinc/62/37/60/565623760.db2.gz SAIZJZSAHADEBI-CQSZACIVSA-N 1 0 383.945 2.883 20 0 GFADRO CC[C@@H]1CN(C(=O)c2cc(F)ccc2I)C[C@H](C)[NH2+]1 ZINC000598532250 565623833 /nfs/dbraw/zinc/62/38/33/565623833.db2.gz WEWSLSBEKJAXER-GXSJLCMTSA-N 1 0 376.213 2.643 20 0 GFADRO O=C(c1cc2cc(Br)sc2[nH]1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000646897980 565625529 /nfs/dbraw/zinc/62/55/29/565625529.db2.gz ASFMFDLHKKZSGW-LLVKDONJSA-N 1 0 398.326 2.786 20 0 GFADRO COCC[C@H](Cc1cccc(Br)c1)C(=O)N1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC000646922405 565627023 /nfs/dbraw/zinc/62/70/23/565627023.db2.gz LZQMKQWIGICABE-RYRKJORJSA-N 1 0 395.341 2.807 20 0 GFADRO O=C1Nc2ccc(Br)cc2CC[C@@H]1N1CCC(F)(F)[C@H](CO)C1 ZINC000625442204 565630906 /nfs/dbraw/zinc/63/09/06/565630906.db2.gz QGFYAPWIKYOGAS-FZMZJTMJSA-N 1 0 389.240 2.652 20 0 GFADRO COc1ccc(C[C@@H](CO)C[NH2+]Cc2cncc(Br)c2C)cc1O ZINC000668164733 565631077 /nfs/dbraw/zinc/63/10/77/565631077.db2.gz CNSJMVNHGUMLDX-CQSZACIVSA-N 1 0 395.297 2.808 20 0 GFADRO CC1([NH3+])CCN(C(=O)[C@@H](c2ccc(Cl)cc2Cl)N2CCOCC2)CC1 ZINC000646991235 565631493 /nfs/dbraw/zinc/63/14/93/565631493.db2.gz TWLLQYZEZBYMQY-MRXNPFEDSA-N 1 0 386.323 2.707 20 0 GFADRO Cc1cc(Br)c(F)c(C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)c1 ZINC000625562975 565639197 /nfs/dbraw/zinc/63/91/97/565639197.db2.gz JAKBYDLYFZYNAV-ZDUSSCGKSA-N 1 0 386.309 2.510 20 0 GFADRO Cc1cc(C)c(C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)c(C)c1Br ZINC000625564915 565640267 /nfs/dbraw/zinc/64/02/67/565640267.db2.gz ZAGKLWBFVGIZGD-ZDUSSCGKSA-N 1 0 396.373 2.988 20 0 GFADRO CC(=O)N[C@@H](Cc1nc([C@@H]2CCC[NH2+]2)no1)c1ccc(Br)cc1 ZINC000647155187 565641192 /nfs/dbraw/zinc/64/11/92/565641192.db2.gz TWRRSMAEVPLYBM-KBPBESRZSA-N 1 0 379.258 2.677 20 0 GFADRO COCCN1CC[C@H]([NH2+]Cc2cc(OC(F)F)ccc2Br)C1 ZINC000647181910 565644060 /nfs/dbraw/zinc/64/40/60/565644060.db2.gz XUZAUWZEFHISCM-LBPRGKRZSA-N 1 0 379.245 2.861 20 0 GFADRO CN(CC(C)(C)C[NH3+])S(=O)(=O)c1ccc2c(Br)cn(C)c2c1 ZINC000647231019 565647254 /nfs/dbraw/zinc/64/72/54/565647254.db2.gz AXJGGXAQEQJFOK-UHFFFAOYSA-N 1 0 388.331 2.546 20 0 GFADRO C[C@@H]1CN(S(=O)(=O)Cc2ccc(Br)cc2Cl)CC[C@H]1[NH3+] ZINC000647222587 565647350 /nfs/dbraw/zinc/64/73/50/565647350.db2.gz HVZJKSGXJAECAD-NOZJJQNGSA-N 1 0 381.723 2.601 20 0 GFADRO COCC[N@@H+]1CC[C@@H](NC(=O)c2cc3c(ccc(Br)c3C)[nH]2)C1 ZINC000668435928 565647579 /nfs/dbraw/zinc/64/75/79/565647579.db2.gz SGGJPCYOUYLQDU-GFCCVEGCSA-N 1 0 380.286 2.689 20 0 GFADRO O=S(=O)(c1csc(-c2ccccc2)n1)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647237583 565648632 /nfs/dbraw/zinc/64/86/32/565648632.db2.gz HDHYANLBSVIWRA-JKSUJKDBSA-N 1 0 377.535 2.963 20 0 GFADRO CC(C)(C)O[C@H]1C[C@@H]([NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)C1 ZINC000647247875 565649817 /nfs/dbraw/zinc/64/98/17/565649817.db2.gz ICKCGIMUOWSZLZ-TXEJJXNPSA-N 1 0 391.331 2.532 20 0 GFADRO CC[C@H]1CN(S(=O)(=O)c2cc(Br)sc2Cl)CC[C@H]1[NH3+] ZINC000647269246 565651685 /nfs/dbraw/zinc/65/16/85/565651685.db2.gz OYPOFOMXAOVPMU-JGVFFNPUSA-N 1 0 387.752 2.912 20 0 GFADRO CC[C@H]1CN(S(=O)(=O)c2cc(Cl)ccc2Br)CC[C@@H]1[NH3+] ZINC000647269443 565651736 /nfs/dbraw/zinc/65/17/36/565651736.db2.gz SMTKROZMWAWGNQ-CABZTGNLSA-N 1 0 381.723 2.850 20 0 GFADRO CCOc1ccc(S(=O)(=O)N2CC[C@H]([NH3+])[C@H](CC)C2)cc1Br ZINC000647268767 565652017 /nfs/dbraw/zinc/65/20/17/565652017.db2.gz HGQQDLAURZPLFE-RISCZKNCSA-N 1 0 391.331 2.596 20 0 GFADRO C[C@H]1CC[NH2+]C[C@@H]1NS(=O)(=O)Cc1ccc(Br)cc1Cl ZINC000647284303 565654077 /nfs/dbraw/zinc/65/40/77/565654077.db2.gz KIFJLQZOPQPCFJ-ZANVPECISA-N 1 0 381.723 2.520 20 0 GFADRO O=S(=O)(Cc1cc(Cl)ccc1Br)N[C@H]1CCC[NH2+]CC1 ZINC000647285845 565654638 /nfs/dbraw/zinc/65/46/38/565654638.db2.gz UJIWNLZZKSIGJI-LBPRGKRZSA-N 1 0 381.723 2.664 20 0 GFADRO C[C@@H](CCc1ccc(I)cc1)[NH2+]C[C@H]1COCCN1C ZINC000599081645 565655107 /nfs/dbraw/zinc/65/51/07/565655107.db2.gz TYOIJJYUPCQGGZ-BBRMVZONSA-N 1 0 388.293 2.533 20 0 GFADRO C[NH+](C)[C@@H]1[C@H]2CN(c3nc(C(F)(F)F)ccc3I)C[C@H]21 ZINC000599083979 565655462 /nfs/dbraw/zinc/65/54/62/565655462.db2.gz NWZCGUHMZYYNPX-VROVMSAKSA-N 1 0 397.182 2.701 20 0 GFADRO O=S(=O)(Cc1ccc(Br)cc1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000647300271 565655514 /nfs/dbraw/zinc/65/55/14/565655514.db2.gz AORKZYDNIJXFEK-HNNXBMFYSA-N 1 0 387.343 2.600 20 0 GFADRO CCc1nc2c(s1)[C@H]([NH2+]C[C@@H]1CS(=O)(=O)c3ccccc3O1)CCC2 ZINC000647314868 565656509 /nfs/dbraw/zinc/65/65/09/565656509.db2.gz SWVJLLKJFJWXTN-CHWSQXEVSA-N 1 0 378.519 2.907 20 0 GFADRO [NH3+][C@@H]1CCC[C@H](CNS(=O)(=O)c2ccc(Br)cc2Cl)C1 ZINC000647316686 565656644 /nfs/dbraw/zinc/65/66/44/565656644.db2.gz AEIJKPVCSIMATK-GXSJLCMTSA-N 1 0 381.723 2.898 20 0 GFADRO CCc1nc2c(s1)[C@H]([NH2+]C[C@H]1CS(=O)(=O)c3ccccc3O1)CCC2 ZINC000647314870 565656658 /nfs/dbraw/zinc/65/66/58/565656658.db2.gz SWVJLLKJFJWXTN-QWHCGFSZSA-N 1 0 378.519 2.907 20 0 GFADRO C[C@@H]([NH2+]CC[C@H]1CSc2ccccc2O1)c1cccc(S(N)(=O)=O)c1 ZINC000647320746 565657244 /nfs/dbraw/zinc/65/72/44/565657244.db2.gz AWCGOFMDNSVHAX-HIFRSBDPSA-N 1 0 378.519 2.928 20 0 GFADRO CC1(C)C[NH2+]CC[C@H]1NS(=O)(=O)Cc1ccc(Br)cc1Cl ZINC000647323951 565658288 /nfs/dbraw/zinc/65/82/88/565658288.db2.gz FOIULBBOHDUYAH-CYBMUJFWSA-N 1 0 395.750 2.910 20 0 GFADRO C[C@H]([NH2+][C@H]1CCS[C@@H]1C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000647360113 565659087 /nfs/dbraw/zinc/65/90/87/565659087.db2.gz QGONLWJUMOEAIZ-SBMIAAHKSA-N 1 0 379.345 2.641 20 0 GFADRO C[C@H]1CCCN(C(=O)C[NH2+][C@@]2(CO)CCc3cc(Br)ccc3C2)C1 ZINC000625794435 565659361 /nfs/dbraw/zinc/65/93/61/565659361.db2.gz JGQPQKCNEGSWOP-LIRRHRJNSA-N 1 0 395.341 2.517 20 0 GFADRO Cn1cc(CCC[NH2+][C@]2(CO)CCc3cc(Br)ccc3C2)cn1 ZINC000625795405 565660473 /nfs/dbraw/zinc/66/04/73/565660473.db2.gz UXJYKEJEUIBRSM-GOSISDBHSA-N 1 0 378.314 2.625 20 0 GFADRO C[C@H]([NH3+])[C@H]1CN(Cc2ccc(OC(F)(F)F)c(Br)c2)CCO1 ZINC000647506624 565661868 /nfs/dbraw/zinc/66/18/68/565661868.db2.gz XOYKLMSNEIEQJR-TVQRCGJNSA-N 1 0 383.208 2.896 20 0 GFADRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(=O)NCc2ccc(Cl)c(Cl)c2)C1 ZINC000668689797 565662438 /nfs/dbraw/zinc/66/24/38/565662438.db2.gz GGXWGLMIVHWQEU-AWEZNQCLSA-N 1 0 386.323 2.846 20 0 GFADRO OCC1(C[NH2+]C[C@@H](O)COc2ccc(Cl)cc2Br)CCC1 ZINC000647523485 565662916 /nfs/dbraw/zinc/66/29/16/565662916.db2.gz RBHPRHVUDUXDQF-GFCCVEGCSA-N 1 0 378.694 2.594 20 0 GFADRO C[C@H]1CC[C@@H](NC(=O)Nc2cnn(-c3ccccc3Br)c2)C[NH2+]1 ZINC000625872638 565663310 /nfs/dbraw/zinc/66/33/10/565663310.db2.gz WTJZCKNGSHZOBV-NWDGAFQWSA-N 1 0 378.274 2.897 20 0 GFADRO Cc1nccc(NC(=O)N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)c1Br ZINC000625881197 565664484 /nfs/dbraw/zinc/66/44/84/565664484.db2.gz HYWPAMSVULXQBT-ZJUUUORDSA-N 1 0 395.223 2.565 20 0 GFADRO CCOc1cc(CN2CCC([N@@H+]3CC[C@@H](O)C3)CC2)cc(Br)c1O ZINC000668738419 565664464 /nfs/dbraw/zinc/66/44/64/565664464.db2.gz CKIQLFUFFVMQDI-OAHLLOKOSA-N 1 0 399.329 2.584 20 0 GFADRO COc1ccc(CCC(=O)NCC2([NH+](C)C)CCOCC2)c(Br)c1 ZINC000668758921 565664643 /nfs/dbraw/zinc/66/46/43/565664643.db2.gz NXDVTCOQHXOOFI-UHFFFAOYSA-N 1 0 399.329 2.617 20 0 GFADRO COc1cc(NC(=O)NCCOCCC[NH3+])c(Cl)cc1Br ZINC000625901201 565665983 /nfs/dbraw/zinc/66/59/83/565665983.db2.gz UURDYQICXFJINK-UHFFFAOYSA-N 1 0 380.670 2.598 20 0 GFADRO CCC(F)(F)C(C)(C)CS(=O)(=O)N1C[C@@H]([NH+]2CCCC2)[C@@H](SC)C1 ZINC000599278436 565667035 /nfs/dbraw/zinc/66/70/35/565667035.db2.gz CZCXFVUKAJQZBK-KGLIPLIRSA-N 1 0 384.558 2.899 20 0 GFADRO C[NH+](C)C[C@]1(O)CCCN(C(=O)CCCOc2cccc(Br)c2)C1 ZINC000647624676 565667382 /nfs/dbraw/zinc/66/73/82/565667382.db2.gz JJMDAPHXYLAGID-GOSISDBHSA-N 1 0 399.329 2.523 20 0 GFADRO CCC(F)(F)C(C)(C)CS(=O)(=O)N1C[C@@H](SC)[C@H]([NH+]2CCCC2)C1 ZINC000599278440 565667537 /nfs/dbraw/zinc/66/75/37/565667537.db2.gz CZCXFVUKAJQZBK-ZIAGYGMSSA-N 1 0 384.558 2.899 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC000599290852 565667621 /nfs/dbraw/zinc/66/76/21/565667621.db2.gz GOFWLNJPRWWRPK-HNNXBMFYSA-N 1 0 382.302 2.639 20 0 GFADRO O=C(c1cc(=O)c2cc(Br)ccc2[nH]1)N(C1CC1)C1CC[NH2+]CC1 ZINC000647643017 565669389 /nfs/dbraw/zinc/66/93/89/565669389.db2.gz DABKPOJVDHWWCJ-UHFFFAOYSA-N 1 0 390.281 2.647 20 0 GFADRO O=C(Cc1c(Cl)cccc1Br)NCCC[NH+]1CCC(O)CC1 ZINC000668895551 565670341 /nfs/dbraw/zinc/67/03/41/565670341.db2.gz NOUXQGLYIFOEPZ-UHFFFAOYSA-N 1 0 389.721 2.608 20 0 GFADRO C[C@@H](NC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(CO)C1)c1ccc(Br)cc1 ZINC000626011337 565670852 /nfs/dbraw/zinc/67/08/52/565670852.db2.gz GSYVTYGTMCKGNE-QIIPPGSGSA-N 1 0 381.314 2.721 20 0 GFADRO CN(Cc1ccccc1Br)C(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(CO)C1 ZINC000626011388 565671124 /nfs/dbraw/zinc/67/11/24/565671124.db2.gz JBQTTWABNDAEMO-MAUKXSAKSA-N 1 0 381.314 2.502 20 0 GFADRO Cc1cc(N2CCC[C@@H]([N@H+](C)C[C@H]3C[C@@H](O)C3)C2=O)ccc1Br ZINC000626046393 565671973 /nfs/dbraw/zinc/67/19/73/565671973.db2.gz BHJSPTZVFVXWRK-UKPHBRMFSA-N 1 0 381.314 2.956 20 0 GFADRO C[C@@H]1C[C@@H](c2ccc(Br)cc2)C[N@@H+]1CCC(=O)N1CCOCC1 ZINC000626040104 565672047 /nfs/dbraw/zinc/67/20/47/565672047.db2.gz XHJLWEQAAXVVMR-GDBMZVCRSA-N 1 0 381.314 2.876 20 0 GFADRO O=C(CSc1cc(Cl)ccc1Cl)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000647706227 565672147 /nfs/dbraw/zinc/67/21/47/565672147.db2.gz FTSBMYQDJNXSQD-STQMWFEESA-N 1 0 375.321 2.753 20 0 GFADRO CCO[C@H](CC[NH+](C)C)CNC(=O)[C@H]1[C@@H]2c3cccc(Br)c3C[C@H]12 ZINC000626040791 565672359 /nfs/dbraw/zinc/67/23/59/565672359.db2.gz MAUDRYXCCTXSGH-UOAMXJAYSA-N 1 0 395.341 2.808 20 0 GFADRO Cc1cc(Br)c(F)c(C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)c1 ZINC000626105322 565674931 /nfs/dbraw/zinc/67/49/31/565674931.db2.gz BRYIYNQJTQCAKA-CYBMUJFWSA-N 1 0 385.277 2.880 20 0 GFADRO C[C@@H]1C[C@H](CO)CC[N@@H+]1CC(=O)N(C)Cc1cc(Br)cs1 ZINC000626118829 565676918 /nfs/dbraw/zinc/67/69/18/565676918.db2.gz QKLNXDQIIDFOIM-VXGBXAGGSA-N 1 0 375.332 2.562 20 0 GFADRO Cc1noc([C@@H]2OCC[C@@H]2[NH2+]C[C@@H](O)COc2ccc(Cl)cc2Cl)n1 ZINC000626146273 565678341 /nfs/dbraw/zinc/67/83/41/565678341.db2.gz UKRAYILEOXDJCR-OSAQELSMSA-N 1 0 388.251 2.544 20 0 GFADRO CN(CC(=O)Nc1ccc(Br)c(C(F)(F)F)c1)[C@H]1CC[NH2+]C1 ZINC000647837996 565679206 /nfs/dbraw/zinc/67/92/06/565679206.db2.gz WWQMXPICORQIGM-JTQLQIEISA-N 1 0 380.208 2.700 20 0 GFADRO COC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCc2cc(Br)ccc2NC1=O ZINC000599431360 565679371 /nfs/dbraw/zinc/67/93/71/565679371.db2.gz GHYDBRNNSFCCNI-VHDGCEQUSA-N 1 0 381.270 2.634 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CN(C(=O)C2(c3ccc(Br)cc3)CCCC2)CCO1 ZINC000647875694 565681147 /nfs/dbraw/zinc/68/11/47/565681147.db2.gz HWZNFAIHQNEDSS-CZUORRHYSA-N 1 0 381.314 2.836 20 0 GFADRO [NH3+][C@@H]1CCC[C@H]2CN(CC(=O)Nc3c(F)cc(F)cc3Br)C[C@@H]21 ZINC000647907840 565683336 /nfs/dbraw/zinc/68/33/36/565683336.db2.gz BECXLPRTOQVYIP-NURSFMCSSA-N 1 0 388.256 2.725 20 0 GFADRO Cc1nn(C)c(NC(=O)NCc2cccc(C[NH+](C)C)c2)c1Br ZINC000647983965 565686150 /nfs/dbraw/zinc/68/61/50/565686150.db2.gz FJSKRUKQUDATJS-UHFFFAOYSA-N 1 0 380.290 2.874 20 0 GFADRO O=C(NCC[N@H+]1CC[C@H](O)C1)Nc1ccc(Br)cc1C(F)(F)F ZINC000626308216 565686795 /nfs/dbraw/zinc/68/67/95/565686795.db2.gz LVPCNSZIDJAYPQ-JTQLQIEISA-N 1 0 396.207 2.656 20 0 GFADRO O=C(NCCOc1cccc(Br)c1)NCc1ccc2c(c1)C[NH2+]C2 ZINC000669401886 565687455 /nfs/dbraw/zinc/68/74/55/565687455.db2.gz AOAWTFRLLCESIE-UHFFFAOYSA-N 1 0 390.281 2.931 20 0 GFADRO C[C@H]1CN(C(=O)c2csc(C(F)(F)F)c2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000626311549 565687554 /nfs/dbraw/zinc/68/75/54/565687554.db2.gz IIDQNLKEHOKACO-JSGCOSHPSA-N 1 0 375.460 2.865 20 0 GFADRO COC(=O)c1ccoc1C[NH2+][C@@]1(CO)CCc2cc(Br)ccc2C1 ZINC000599572443 565689066 /nfs/dbraw/zinc/68/90/66/565689066.db2.gz BEHAPLMNDPOBDA-SFHVURJKSA-N 1 0 394.265 2.838 20 0 GFADRO Cc1c[nH]nc1C(=O)NC1CCN(Cc2ccc(Br)cc2)CC1 ZINC000669447569 565689148 /nfs/dbraw/zinc/68/91/48/565689148.db2.gz CYMGWDPHMOTHQO-UHFFFAOYSA-N 1 0 377.286 2.875 20 0 GFADRO O=C(NCC1(c2ccccc2Br)CC1)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000669495221 565690408 /nfs/dbraw/zinc/69/04/08/565690408.db2.gz YCRDUZMFSYDRTK-CZUORRHYSA-N 1 0 378.314 2.874 20 0 GFADRO COC(=O)CC1(C[NH2+][C@]2(CO)CCc3cc(Br)ccc3C2)CC1 ZINC000599573770 565690762 /nfs/dbraw/zinc/69/07/62/565690762.db2.gz XFZGUCSAKSTIMA-GOSISDBHSA-N 1 0 382.298 2.602 20 0 GFADRO CC[C@@H]1CN(C(=O)NC[C@@H](C)Oc2ccc(Br)cc2)CC[C@@H]1[NH3+] ZINC000669506345 565691360 /nfs/dbraw/zinc/69/13/60/565691360.db2.gz VAXHQDSJVSWWOA-IOASZLSFSA-N 1 0 384.318 2.985 20 0 GFADRO CC1(OCC(=O)N2CCC(COc3cc(Cl)cc(Cl)c3)CC2)C[NH2+]C1 ZINC000648090378 565691514 /nfs/dbraw/zinc/69/15/14/565691514.db2.gz LZRPHVYQRPHYLS-UHFFFAOYSA-N 1 0 387.307 2.989 20 0 GFADRO CC[C@H]1CN(C(=O)NCc2cn3cc(Br)cc(C)c3n2)CC[C@@H]1[NH3+] ZINC000669559433 565692254 /nfs/dbraw/zinc/69/22/54/565692254.db2.gz ZZUGYOFJVGSFAS-WFASDCNBSA-N 1 0 394.317 2.674 20 0 GFADRO COC(=O)c1c(Br)ccc(NC(=O)N[C@@H]2CC[NH2+]C23CCC3)c1C ZINC000599607602 565692215 /nfs/dbraw/zinc/69/22/15/565692215.db2.gz ZWDQQYRSRURKDT-CYBMUJFWSA-N 1 0 396.285 2.950 20 0 GFADRO C[C@H](Cc1cc(Br)ccc1F)NC(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000669544211 565692636 /nfs/dbraw/zinc/69/26/36/565692636.db2.gz IRCCSFHNCPYJDX-WQGACYEGSA-N 1 0 384.293 2.913 20 0 GFADRO COc1ccc(Br)cc1C1(NC(=O)[C@H]2CC23CC[NH2+]CC3)CC1 ZINC000648191608 565693131 /nfs/dbraw/zinc/69/31/31/565693131.db2.gz RXPQTBKIQSUTOK-CQSZACIVSA-N 1 0 379.298 2.953 20 0 GFADRO O=C(C[C@@H]1Sc2ccc(Cl)cc2NC1=O)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000648182696 565693375 /nfs/dbraw/zinc/69/33/75/565693375.db2.gz OKQGITSHJHRCNQ-DOMZBBRYSA-N 1 0 379.913 2.934 20 0 GFADRO O=C(NC[C@H]1CCC[NH2+]1)N[C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O ZINC000669568998 565693555 /nfs/dbraw/zinc/69/35/55/565693555.db2.gz PLLHMKNCWAJKKK-TZMCWYRMSA-N 1 0 385.295 2.540 20 0 GFADRO CCOC(=O)c1ccsc1NC(=O)N1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000599608382 565693885 /nfs/dbraw/zinc/69/38/85/565693885.db2.gz PLRUBLQNFAOANI-MWLCHTKSSA-N 1 0 379.404 2.916 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CN(C(=O)NCc2cnc(-c3ccc(Cl)cc3)s2)CCO1 ZINC000669583084 565694176 /nfs/dbraw/zinc/69/41/76/565694176.db2.gz LEVZJQYJYKPKFR-NHYWBVRUSA-N 1 0 380.901 2.721 20 0 GFADRO C[C@H]([NH3+])[C@H]1CN(C(=O)N[C@@H]2c3cccc(Br)c3CC2(C)C)CCO1 ZINC000669590344 565694367 /nfs/dbraw/zinc/69/43/67/565694367.db2.gz MXSKEDKFVQWPSA-IUIKQTSFSA-N 1 0 396.329 2.830 20 0 GFADRO O=C(NCC[N@H+]1CC[C@H](O)C1)Nc1cc(C(F)(F)F)ccc1Br ZINC000626549653 565699064 /nfs/dbraw/zinc/69/90/64/565699064.db2.gz SGKVBXXBQMMASO-JTQLQIEISA-N 1 0 396.207 2.656 20 0 GFADRO Cn1nc2cc(Br)ccc2c1C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000648361460 565706651 /nfs/dbraw/zinc/70/66/51/565706651.db2.gz NQDXSMFFQNBZAN-OLZOCXBDSA-N 1 0 377.286 2.692 20 0 GFADRO CCN(C(=O)c1csc(I)c1)C1CC[NH+](C)CC1 ZINC000599986458 565709029 /nfs/dbraw/zinc/70/90/29/565709029.db2.gz TYIUNVJCZJYNPM-UHFFFAOYSA-N 1 0 378.279 2.909 20 0 GFADRO CSc1ccc(NC(=O)C(=O)N[C@@H](C)CCCC[NH3+])cc1Br ZINC000626837112 565712441 /nfs/dbraw/zinc/71/24/41/565712441.db2.gz JTIMRIXBESRSNP-JTQLQIEISA-N 1 0 388.331 2.743 20 0 GFADRO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)Nc1cc(Cl)c(Br)cc1F ZINC000626831461 565712508 /nfs/dbraw/zinc/71/25/08/565712508.db2.gz CNJDRJRYAKMQQD-MRVPVSSYSA-N 1 0 394.672 2.670 20 0 GFADRO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)Nc1cc(Cl)c(Br)cc1F ZINC000626842443 565713089 /nfs/dbraw/zinc/71/30/89/565713089.db2.gz NFUPZEADQASEMM-LLVKDONJSA-N 1 0 394.672 2.670 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)Nc2ccc(Cl)cc2Cl)CC[C@H]1C(F)(F)F ZINC000626861170 565713334 /nfs/dbraw/zinc/71/33/34/565713334.db2.gz LMHNLXKPMABIAZ-PSASIEDQSA-N 1 0 398.212 2.918 20 0 GFADRO CC[C@@H](CNC(=O)NCC1([NH3+])CCOCC1)Cc1cccc(Br)c1 ZINC000626980841 565718241 /nfs/dbraw/zinc/71/82/41/565718241.db2.gz KIQAQAMLNQPGKB-CQSZACIVSA-N 1 0 398.345 2.825 20 0 GFADRO CS(=O)(=O)NC1CC([NH2+]C2CC(c3ccc(Br)cc3F)C2)C1 ZINC000648572978 565718492 /nfs/dbraw/zinc/71/84/92/565718492.db2.gz WYFGPNZDXYSAHO-UHFFFAOYSA-N 1 0 391.306 2.504 20 0 GFADRO [NH3+]CCCOCCNC(=O)N[C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1 ZINC000627019078 565719624 /nfs/dbraw/zinc/71/96/24/565719624.db2.gz PDMVKOIFTRDKHR-CQSZACIVSA-N 1 0 389.327 2.627 20 0 GFADRO [NH3+]CCCOCCNC(=O)NCC1(c2ccccc2Br)CCC1 ZINC000627042478 565720867 /nfs/dbraw/zinc/72/08/67/565720867.db2.gz CBQSMNYBKSVITC-UHFFFAOYSA-N 1 0 384.318 2.535 20 0 GFADRO COC[C@]1(CNC(=O)NCC/C=C\c2ccc(Br)cc2)CCC[NH2+]1 ZINC000627092027 565721477 /nfs/dbraw/zinc/72/14/77/565721477.db2.gz IMDUBDOOAQJOAK-OTZGOOTISA-N 1 0 396.329 2.920 20 0 GFADRO CC1(CNC(=O)NCc2cc(F)c(Br)cc2F)CC[NH2+]CC1 ZINC000627083814 565721522 /nfs/dbraw/zinc/72/15/22/565721522.db2.gz LHUFFVOUYPJXTD-UHFFFAOYSA-N 1 0 376.245 2.916 20 0 GFADRO C[NH+](C)C1CC(NC(=O)[C@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)C1 ZINC000670401337 565721533 /nfs/dbraw/zinc/72/15/33/565721533.db2.gz CDWJJWQQIHCMFL-SEEARECTSA-N 1 0 384.307 2.807 20 0 GFADRO O=C(NC[C@H]1C[N@@H+]2CCN1CCC2)c1csc(-c2ccc(Cl)cc2)n1 ZINC000670406184 565721736 /nfs/dbraw/zinc/72/17/36/565721736.db2.gz JIHATQPAIUWACA-HNNXBMFYSA-N 1 0 376.913 2.583 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)NCC/C=C/c2ccc(Br)cc2)CCCO1 ZINC000627122958 565722458 /nfs/dbraw/zinc/72/24/58/565722458.db2.gz MRIXOPOLTLSYOZ-JHBSALDVSA-N 1 0 382.302 2.612 20 0 GFADRO C[C@@H](CC(=O)NCc1ccccc1C[NH+](C)C)n1cc(Br)cn1 ZINC000648718043 565723206 /nfs/dbraw/zinc/72/32/06/565723206.db2.gz LGFLXAHPYQJFRL-ZDUSSCGKSA-N 1 0 379.302 2.975 20 0 GFADRO CC[C@H]1Cc2c(Br)cccc2CN1C(=O)NCC1([NH3+])CCOCC1 ZINC000627149654 565723248 /nfs/dbraw/zinc/72/32/48/565723248.db2.gz LFJWWTBSCVOQFN-AWEZNQCLSA-N 1 0 396.329 2.803 20 0 GFADRO C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)NCc1cc(F)c(Br)cc1F)C2 ZINC000627181644 565725132 /nfs/dbraw/zinc/72/51/32/565725132.db2.gz VEWPSLHJPHBVLN-IYBDPMFKSA-N 1 0 388.256 2.868 20 0 GFADRO C[C@@H](NC(=O)c1cc2c(cncc2Br)s1)[C@H](C)N1CCOCC1 ZINC000648771050 565727071 /nfs/dbraw/zinc/72/70/71/565727071.db2.gz AUODUBZLJWSJQR-MNOVXSKESA-N 1 0 398.326 2.898 20 0 GFADRO [NH3+]CCCOCCNC(=O)N1CCCC[C@@H]1Cc1cccc(Br)c1 ZINC000627219451 565727413 /nfs/dbraw/zinc/72/74/13/565727413.db2.gz XBIGLRVOPRVXFR-QGZVFWFLSA-N 1 0 398.345 2.921 20 0 GFADRO Cn1nc2cc(Br)ccc2c1C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000648764121 565727351 /nfs/dbraw/zinc/72/73/51/565727351.db2.gz ZGUKINVWHVUWTG-ZDUSSCGKSA-N 1 0 377.286 2.646 20 0 GFADRO Cn1nc2cc(Br)ccc2c1C(=O)NCCC1CC[NH+](C)CC1 ZINC000648758882 565727548 /nfs/dbraw/zinc/72/75/48/565727548.db2.gz KCGZEWOHIUSMFG-UHFFFAOYSA-N 1 0 379.302 2.798 20 0 GFADRO COCC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCc3cc(Br)ccc32)C1 ZINC000648773269 565727946 /nfs/dbraw/zinc/72/79/46/565727946.db2.gz ABQDOCJFRZZZFQ-WBVHZDCISA-N 1 0 381.314 2.706 20 0 GFADRO O=C(c1cc(Br)c2ccccc2c1)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000627266777 565729356 /nfs/dbraw/zinc/72/93/56/565729356.db2.gz FTPHLNQSUFPLRW-HZPDHXFCSA-N 1 0 389.293 2.883 20 0 GFADRO CC(C)[N@@H+]1CCCN(C(=O)C(=O)N[C@H](C)c2ccc(Br)cc2)CC1 ZINC000670572137 565729756 /nfs/dbraw/zinc/72/97/56/565729756.db2.gz QFWMDMZAKURSTR-CQSZACIVSA-N 1 0 396.329 2.569 20 0 GFADRO O=C(c1cccc2cccc(Br)c21)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000627268011 565730196 /nfs/dbraw/zinc/73/01/96/565730196.db2.gz VXNATTLOMGPIDE-HUUCEWRRSA-N 1 0 389.293 2.883 20 0 GFADRO C[C@H](CC(=O)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1)c1ccc(F)c(Br)c1 ZINC000627268212 565730228 /nfs/dbraw/zinc/73/02/28/565730228.db2.gz YYHOEITWFKOMMT-SNPRPXQTSA-N 1 0 399.304 2.749 20 0 GFADRO Cc1c2cc(C(=O)N3CC[C@@H]([N@@H+]4CC[C@H](O)C4)C3)[nH]c2ccc1Br ZINC000627271019 565730332 /nfs/dbraw/zinc/73/03/32/565730332.db2.gz PQDHUWOXFWOLFX-OLZOCXBDSA-N 1 0 392.297 2.520 20 0 GFADRO O=C(c1cc(Br)c2ccccc2c1)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000627266776 565730461 /nfs/dbraw/zinc/73/04/61/565730461.db2.gz FTPHLNQSUFPLRW-HOTGVXAUSA-N 1 0 389.293 2.883 20 0 GFADRO C[C@@H]1[C@H](C(=O)NCCCOc2ncc(C(F)(F)F)cc2Cl)CC[N@@H+]1C ZINC000648840853 565733643 /nfs/dbraw/zinc/73/36/43/565733643.db2.gz LFGWQNVQECBISV-ZYHUDNBSSA-N 1 0 379.810 2.979 20 0 GFADRO CSc1ccc(NC(=O)C(=O)NCC[NH2+]C(C)(C)C)cc1Br ZINC000627513240 565738134 /nfs/dbraw/zinc/73/81/34/565738134.db2.gz SYQBAKMMNCDBPN-UHFFFAOYSA-N 1 0 388.331 2.614 20 0 GFADRO C[C@@H]1[C@H](C(=O)NC2CCN(Cc3cccc(Br)c3)CC2)CC[N@@H+]1C ZINC000648931647 565740803 /nfs/dbraw/zinc/74/08/03/565740803.db2.gz JFTGVMREXQFNHG-RDTXWAMCSA-N 1 0 394.357 2.870 20 0 GFADRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000649068676 565746346 /nfs/dbraw/zinc/74/63/46/565746346.db2.gz LGHKXFQIKYVQPQ-FPMFFAJLSA-N 1 0 384.307 2.675 20 0 GFADRO O=C(NC[C@@H]1CC[N@@H+]1C1CCCCC1)C(=O)Nc1cccc(Br)c1 ZINC000627754679 565750268 /nfs/dbraw/zinc/75/02/68/565750268.db2.gz DZZSWSYXXQCGLH-INIZCTEOSA-N 1 0 394.313 2.911 20 0 GFADRO O=C(c1cc2cc(Br)ccc2s1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000628018946 565768619 /nfs/dbraw/zinc/76/86/19/565768619.db2.gz NRAPGWGZOBOGEB-QWHCGFSZSA-N 1 0 381.295 2.555 20 0 GFADRO C[C@@H](NC(=O)C[NH+]1CCC(C2(O)CC2)CC1)c1ccc(Br)cc1 ZINC000649675023 565772526 /nfs/dbraw/zinc/77/25/26/565772526.db2.gz LHGRPXPOEQUTNR-CYBMUJFWSA-N 1 0 381.314 2.863 20 0 GFADRO C[NH+](C)CCN1CCN(Cc2nc(-c3ccccc3Cl)cs2)CC1=O ZINC000649685501 565773189 /nfs/dbraw/zinc/77/31/89/565773189.db2.gz BPHALYWXXZJTSD-UHFFFAOYSA-N 1 0 378.929 2.669 20 0 GFADRO CCC[C@H](C)[C@H](CO)[NH2+]CC(=O)N(C)Cc1cc(Br)cs1 ZINC000649690899 565773313 /nfs/dbraw/zinc/77/33/13/565773313.db2.gz YZDXRLRSTKCZIE-FZMZJTMJSA-N 1 0 377.348 2.856 20 0 GFADRO O=C(CCc1cc(Br)cs1)N1CCC([NH+]2CCOCC2)CC1 ZINC000628126184 565775260 /nfs/dbraw/zinc/77/52/60/565775260.db2.gz GDUBAPCEYAMTIH-UHFFFAOYSA-N 1 0 387.343 2.766 20 0 GFADRO O=C(Nc1cnn(-c2cc[nH+]cc2)c1)c1cn2ccc(Br)cc2n1 ZINC000671688253 565780227 /nfs/dbraw/zinc/78/02/27/565780227.db2.gz MCMIYQRTIYMHQD-UHFFFAOYSA-N 1 0 383.209 2.930 20 0 GFADRO C[C@@H](C[NH+]1CCOCC1)C(=O)NCC/C=C\c1ccc(Br)cc1 ZINC000628335337 565784596 /nfs/dbraw/zinc/78/45/96/565784596.db2.gz JOHDUXNRCUIOKN-HKLWWIALSA-N 1 0 381.314 2.937 20 0 GFADRO CC[NH+]1CCN(CCC(=O)NCC/C=C/c2ccc(Br)cc2)CC1 ZINC000628335127 565784955 /nfs/dbraw/zinc/78/49/55/565784955.db2.gz GBIBAYSMBCAFEL-HWKANZROSA-N 1 0 394.357 2.996 20 0 GFADRO CS(=O)(=O)N1CCC([NH2+]C[C@H](OCC2CC2)c2ccc(Cl)cc2)CC1 ZINC000671764640 565785385 /nfs/dbraw/zinc/78/53/85/565785385.db2.gz OAAKBAMHBZSTEW-SFHVURJKSA-N 1 0 386.945 2.821 20 0 GFADRO O=C(Nc1ccc(Cl)cc1I)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000601563762 565792099 /nfs/dbraw/zinc/79/20/99/565792099.db2.gz YMQZEDNDHOPEMR-IUCAKERBSA-N 1 0 377.613 2.523 20 0 GFADRO CC[C@H](CO)[NH+]1CCN(c2ccc(Br)c(C(F)(F)F)n2)CC1 ZINC000672225077 565800027 /nfs/dbraw/zinc/80/00/27/565800027.db2.gz LZFPEDDLQGGNRC-SNVBAGLBSA-N 1 0 382.224 2.756 20 0 GFADRO CC(C)C[N@H+](C)CCCNC(=O)c1cccnc1-n1cc(Br)cn1 ZINC000650182677 565802869 /nfs/dbraw/zinc/80/28/69/565802869.db2.gz QMUIDPINEPDNFC-UHFFFAOYSA-N 1 0 394.317 2.738 20 0 GFADRO C[N@@H+]1CCCC[C@H](CNC(=O)c2cnc3ncc(Br)cc3c2)C1 ZINC000628746528 565806730 /nfs/dbraw/zinc/80/67/30/565806730.db2.gz CTZUVHZMLIFQCG-GFCCVEGCSA-N 1 0 377.286 2.854 20 0 GFADRO O=C(CCC[S@](=O)c1ccc(Br)cc1)N[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000601973195 565810701 /nfs/dbraw/zinc/81/07/01/565810701.db2.gz JCEHDEIWHUKEBM-ZZKQDXLVSA-N 1 0 399.354 2.595 20 0 GFADRO O=C([C@@H]1CC[N@@H+](C[C@@H](O)COc2ccc(Cl)c(Cl)c2)C1)N1CCCC1 ZINC000672573026 565812608 /nfs/dbraw/zinc/81/26/08/565812608.db2.gz OKMJFFDOVAOOGP-ZIAGYGMSSA-N 1 0 387.307 2.677 20 0 GFADRO Cc1cc(NC(=O)CN(C)C[C@@H](O)COc2ccc(Cl)c(Cl)c2)no1 ZINC000672779169 565816561 /nfs/dbraw/zinc/81/65/61/565816561.db2.gz UXFPPUSNYAIQKV-LLVKDONJSA-N 1 0 388.251 2.600 20 0 GFADRO Cn1ccnc1COCC(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000628968504 565817684 /nfs/dbraw/zinc/81/76/84/565817684.db2.gz GVSAPLYXGYLSIU-HNNXBMFYSA-N 1 0 385.295 2.663 20 0 GFADRO COC(=O)C[C@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)c1ccc(Br)cc1 ZINC000602039478 565817975 /nfs/dbraw/zinc/81/79/75/565817975.db2.gz DBJCATSNHBSMEO-WFASDCNBSA-N 1 0 383.286 2.511 20 0 GFADRO CCN1CCN(C(=O)C(=O)Nc2cc(Cl)ccc2C(F)(F)F)C[C@H]1C ZINC000672938451 565822744 /nfs/dbraw/zinc/82/27/44/565822744.db2.gz FGNGLTFBLWMNEY-SNVBAGLBSA-N 1 0 377.794 2.850 20 0 GFADRO CC[NH+]1CCN(CC(=O)N2C[C@@H](c3ccc(Br)cc3)C[C@@H]2C)CC1 ZINC000629246365 565830172 /nfs/dbraw/zinc/83/01/72/565830172.db2.gz MEEAALDGUQMPMI-RDJZCZTQSA-N 1 0 394.357 2.791 20 0 GFADRO NC(=O)[C@H]([NH2+]C[C@@H]1Cc2ccccc2CO1)c1ccc(Br)cc1 ZINC000629250300 565831801 /nfs/dbraw/zinc/83/18/01/565831801.db2.gz OGDWDXGFABUFPS-DLBZAZTESA-N 1 0 375.266 2.707 20 0 GFADRO Cc1cccc2c1C[C@@H]([NH2+][C@H](C(N)=O)c1ccc(Br)cc1)CO2 ZINC000629252850 565832487 /nfs/dbraw/zinc/83/24/87/565832487.db2.gz XCBNXNSWIOEVRQ-PBHICJAKSA-N 1 0 375.266 2.877 20 0 GFADRO Brc1ccc(-c2c[nH]c(C[NH2+]CCOC[C@H]3CCOC3)n2)cc1 ZINC000602275558 565836246 /nfs/dbraw/zinc/83/62/46/565836246.db2.gz SEKFPYYTGGIYLJ-ZDUSSCGKSA-N 1 0 380.286 2.982 20 0 GFADRO CCc1ccc(-c2csc(NC(=O)C3([S@](C)=O)CC[NH2+]CC3)n2)cc1 ZINC000602434900 565847732 /nfs/dbraw/zinc/84/77/32/565847732.db2.gz GSCYJGQCXXJTHV-VWLOTQADSA-N 1 0 377.535 2.812 20 0 GFADRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000651158047 565848388 /nfs/dbraw/zinc/84/83/88/565848388.db2.gz HSCBVYRTRKLPLI-SWLSCSKDSA-N 1 0 379.298 2.916 20 0 GFADRO C[C@@H](CNC(=O)C1([S@@](C)=O)CC[NH2+]CC1)c1c(Cl)cccc1Cl ZINC000602454507 565848579 /nfs/dbraw/zinc/84/85/79/565848579.db2.gz MWGLUYJKDOHMSJ-BSNNYGBQSA-N 1 0 377.337 2.714 20 0 GFADRO Cc1cc(-c2csc(NC(=O)C3([S@](C)=O)CC[NH2+]CC3)n2)ccc1F ZINC000602437931 565848589 /nfs/dbraw/zinc/84/85/89/565848589.db2.gz ALAYFEUGIDOQBG-VWLOTQADSA-N 1 0 381.498 2.697 20 0 GFADRO Cc1ccc(-c2nc(NC(=O)C3([S@](C)=O)CC[NH2+]CC3)sc2C)s1 ZINC000602450280 565849043 /nfs/dbraw/zinc/84/90/43/565849043.db2.gz KJHZQDWOBHIYNE-DEOSSOPVSA-N 1 0 383.564 2.928 20 0 GFADRO CCn1ncnc1C[NH2+]CCSCCOc1cccc(Br)c1 ZINC000602547756 565853827 /nfs/dbraw/zinc/85/38/27/565853827.db2.gz OERMVQGHKVNYQX-UHFFFAOYSA-N 1 0 385.331 2.962 20 0 GFADRO COC(=O)c1cc(C[NH2+][C@@H]2CCN(c3ccccc3Br)C2)on1 ZINC000602547217 565854098 /nfs/dbraw/zinc/85/40/98/565854098.db2.gz LZXJAPCKQCXWIZ-LLVKDONJSA-N 1 0 380.242 2.592 20 0 GFADRO CN(C(=O)[C@@H]1CCOc2ccc(Br)cc21)[C@@H]1C[NH+]2CCC1CC2 ZINC000651307780 565855479 /nfs/dbraw/zinc/85/54/79/565855479.db2.gz PVNYOVFZSSVJOC-GDBMZVCRSA-N 1 0 379.298 2.868 20 0 GFADRO C[NH+](C)C[C@@H](c1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2CSCCN2C1=O ZINC000629487993 565856539 /nfs/dbraw/zinc/85/65/39/565856539.db2.gz RJDGYDYNNDGOCQ-UONOGXRCSA-N 1 0 388.320 2.976 20 0 GFADRO COc1ccc(C(=O)NC2(C[NH3+])CCCCC2)c(I)c1 ZINC000602604672 565857551 /nfs/dbraw/zinc/85/75/51/565857551.db2.gz WFKQFACJHQBVAN-UHFFFAOYSA-N 1 0 388.249 2.691 20 0 GFADRO C[NH2+]CCOCCN(C)[C@@H](C)C(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000629569331 565859693 /nfs/dbraw/zinc/85/96/93/565859693.db2.gz PTAVQIZAUKXHRU-NSHDSACASA-N 1 0 381.826 2.854 20 0 GFADRO Ic1ccc(OCC[NH2+]C2CC(n3cccn3)C2)cc1 ZINC000602657997 565861457 /nfs/dbraw/zinc/86/14/57/565861457.db2.gz GRBZTGRVTRTTFP-UHFFFAOYSA-N 1 0 383.233 2.860 20 0 GFADRO COc1ncc(Br)cc1C[NH2+]C[C@@H](O)COCc1ccccc1F ZINC000629594007 565861841 /nfs/dbraw/zinc/86/18/41/565861841.db2.gz YWXVTSBJQLBLRM-OAHLLOKOSA-N 1 0 399.260 2.659 20 0 GFADRO O[C@@H](C[NH2+]C[C@H](n1cccn1)C(F)(F)F)COCc1ccc(Cl)cc1 ZINC000629601595 565862929 /nfs/dbraw/zinc/86/29/29/565862929.db2.gz SZCMTXVKFMECCS-GJZGRUSLSA-N 1 0 377.794 2.807 20 0 GFADRO C[N@H+](CC(=O)N1CC(Cc2ccccc2Br)C1)[C@H]1CCSC1 ZINC000629605902 565863836 /nfs/dbraw/zinc/86/38/36/565863836.db2.gz ZIFAWVDSEYQLHC-HNNXBMFYSA-N 1 0 383.355 2.887 20 0 GFADRO CC(C)[NH+]1CCC(NC(=O)c2cc(=O)c3cc(Br)ccc3[nH]2)CC1 ZINC000602741541 565866669 /nfs/dbraw/zinc/86/66/69/565866669.db2.gz QPCDXCVWEKLVIT-UHFFFAOYSA-N 1 0 392.297 2.893 20 0 GFADRO CC[C@H](C[NH+]1CCCC1)NS(=O)(=O)c1cc(C)c(Br)s1 ZINC000674346243 565869836 /nfs/dbraw/zinc/86/98/36/565869836.db2.gz KRINHIXWOJKQIJ-LLVKDONJSA-N 1 0 381.361 2.972 20 0 GFADRO CC[C@H](C[NH+]1CCCC1)NS(=O)(=O)c1cc(Br)ccc1F ZINC000674345824 565870291 /nfs/dbraw/zinc/87/02/91/565870291.db2.gz BXYHHUHADIAFSH-GFCCVEGCSA-N 1 0 379.295 2.741 20 0 GFADRO COCC[N@@H+]1CCC[C@@H](NC(=O)CCc2ccc(Br)c(C)c2)C1 ZINC000674359948 565871431 /nfs/dbraw/zinc/87/14/31/565871431.db2.gz JKUKWZSJFNKLJF-MRXNPFEDSA-N 1 0 383.330 2.917 20 0 GFADRO COC1CC[NH+](C(C)(C)CNS(=O)(=O)c2ccc(Cl)c(F)c2)CC1 ZINC000651554208 565871746 /nfs/dbraw/zinc/87/17/46/565871746.db2.gz YSEBCEDGNQRXCQ-UHFFFAOYSA-N 1 0 378.897 2.647 20 0 GFADRO CCOc1cc(C[NH+]2CCC(SC)CC2)nc2nc(C(F)(F)F)nn21 ZINC000602922314 565875095 /nfs/dbraw/zinc/87/50/95/565875095.db2.gz HCRBEFNMLJKCGI-UHFFFAOYSA-N 1 0 375.420 2.869 20 0 GFADRO Cc1nc(CSc2ccccc2C(=O)NCC[N@@H+]2CC[C@H](O)C2)cs1 ZINC000629911526 565875961 /nfs/dbraw/zinc/87/59/61/565875961.db2.gz KMVSUQZFJLKXPF-HNNXBMFYSA-N 1 0 377.535 2.540 20 0 GFADRO C[N@H+](CC(=O)NCc1cnn(-c2ccc(Br)cc2)c1)C1CCC1 ZINC000629986835 565878453 /nfs/dbraw/zinc/87/84/53/565878453.db2.gz DXCTYTCPDORNFJ-UHFFFAOYSA-N 1 0 377.286 2.735 20 0 GFADRO O[C@H](C[N@@H+]1CCC[C@H]1Cc1ccccc1Br)CC1(O)CCOCC1 ZINC000630048981 565880870 /nfs/dbraw/zinc/88/08/70/565880870.db2.gz DMBBHKLANHUDJI-IRXDYDNUSA-N 1 0 398.341 2.749 20 0 GFADRO CCC(=O)N1CCC([NH2+]Cc2nnc(-c3ccc(Br)cc3)[nH]2)CC1 ZINC000674911632 565886450 /nfs/dbraw/zinc/88/64/50/565886450.db2.gz JTMSJIJKOJIGPI-UHFFFAOYSA-N 1 0 392.301 2.725 20 0 GFADRO COCC[N@@H+]1CCCN(C(=O)CCCc2cccc(Br)c2)CC1 ZINC000675444702 565902109 /nfs/dbraw/zinc/90/21/09/565902109.db2.gz BQUNNIFECQEVFD-UHFFFAOYSA-N 1 0 383.330 2.953 20 0 GFADRO O=C(CCCc1cccc(Br)c1)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000675457301 565903920 /nfs/dbraw/zinc/90/39/20/565903920.db2.gz IYLWFSBDNOKJQA-ROUUACIJSA-N 1 0 395.341 2.829 20 0 GFADRO COC[C@H]1C[C@@H](O)C[N@@H+]1Cc1cn(-c2ccc(Br)cc2)nc1C ZINC000651950271 565906580 /nfs/dbraw/zinc/90/65/80/565906580.db2.gz NJDHVEUSXWOPME-IAGOWNOFSA-N 1 0 380.286 2.525 20 0 GFADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2ncc(I)s2)C1 ZINC000603438020 565906871 /nfs/dbraw/zinc/90/68/71/565906871.db2.gz VVZCTNGHQPPEJD-JTQLQIEISA-N 1 0 393.294 2.552 20 0 GFADRO CC(C)[NH2+][C@@H]1CCCN(C(=O)NCCOc2ncc(Cl)cc2Cl)C1 ZINC000675576340 565908926 /nfs/dbraw/zinc/90/89/26/565908926.db2.gz CIDVCJYPUGYSBL-CYBMUJFWSA-N 1 0 375.300 2.939 20 0 GFADRO CCOc1cc(C[NH2+]C[C@H]2CC(=O)N(C3CC3)C2)cc(Br)c1OC ZINC000651993652 565909634 /nfs/dbraw/zinc/90/96/34/565909634.db2.gz ZSVUEWFRDGOMGY-CYBMUJFWSA-N 1 0 397.313 2.957 20 0 GFADRO O[C@@]1(CC[NH2+]Cc2nc(-c3cccc(Br)c3)c[nH]2)CCCOC1 ZINC000652040123 565913014 /nfs/dbraw/zinc/91/30/14/565913014.db2.gz XNXQXDNPWDQYGJ-QGZVFWFLSA-N 1 0 380.286 2.860 20 0 GFADRO Cc1nc(N(C)C)nc(N2CCO[C@@H](c3ccc(Br)cc3)C2)n1 ZINC000675720505 565913615 /nfs/dbraw/zinc/91/36/15/565913615.db2.gz AGXKNQIHGQHCMW-CQSZACIVSA-N 1 0 378.274 2.586 20 0 GFADRO O=C1NC2(CCCCC2)C(=O)N1CCC[NH2+]Cc1ccc(Br)cn1 ZINC000603720076 565913979 /nfs/dbraw/zinc/91/39/79/565913979.db2.gz IPGFYPDXAODGTK-UHFFFAOYSA-N 1 0 395.301 2.579 20 0 GFADRO CC[C@H](Cc1cccs1)[NH2+]Cc1ccc(S(=O)(=O)NCCOC)cc1 ZINC000675783272 565914992 /nfs/dbraw/zinc/91/49/92/565914992.db2.gz FMQRKSCNHOVGON-MRXNPFEDSA-N 1 0 382.551 2.784 20 0 GFADRO CCN(Cc1cccc(Br)c1)C(=O)c1cnn(CC[NH+](C)C)c1 ZINC000630698769 565915914 /nfs/dbraw/zinc/91/59/14/565915914.db2.gz YRNIOBSVVBJSKY-UHFFFAOYSA-N 1 0 379.302 2.870 20 0 GFADRO [NH3+]CC1(CCNC(=O)NC[C@@H]2CCN(c3cccc(Br)c3)C2)CC1 ZINC000652138762 565916967 /nfs/dbraw/zinc/91/69/67/565916967.db2.gz PLKAFJYNKJVNGW-AWEZNQCLSA-N 1 0 395.345 2.704 20 0 GFADRO C[NH+](C)C[C@H]1CCN(C(=O)CSc2nnc(-c3ccc(Cl)cc3)o2)C1 ZINC000603815352 565917487 /nfs/dbraw/zinc/91/74/87/565917487.db2.gz UDWXKAXZJRJFIL-GFCCVEGCSA-N 1 0 380.901 2.892 20 0 GFADRO C[C@H](CNC(=O)NCCC1CC[NH2+]CC1)Oc1ccccc1Br ZINC000652164673 565918660 /nfs/dbraw/zinc/91/86/60/565918660.db2.gz VXRRUJNONNZXLD-CYBMUJFWSA-N 1 0 384.318 2.905 20 0 GFADRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc2cncc(Br)c2n1 ZINC000630794777 565920208 /nfs/dbraw/zinc/92/02/08/565920208.db2.gz AOJKTJWMBAJLAT-NSHDSACASA-N 1 0 375.270 2.606 20 0 GFADRO CC[C@H](C[NH+]1CCCC1)NC(=O)N[C@H](CO)c1cccc(Br)c1 ZINC000676003110 565922909 /nfs/dbraw/zinc/92/29/09/565922909.db2.gz YAHQPNNJYODMGF-HZPDHXFCSA-N 1 0 384.318 2.656 20 0 GFADRO [NH3+]C[C@]12CCC[C@H]1CN(CC(=O)Nc1c(F)cc(F)cc1Br)C2 ZINC000652351220 565923354 /nfs/dbraw/zinc/92/33/54/565923354.db2.gz NQCBFQSOHZOPCM-QFYYESIMSA-N 1 0 388.256 2.727 20 0 GFADRO C[NH+](C)CCn1cc(NC(=O)[C@H]2[C@@H]3c4ccc(Br)cc4C[C@H]23)cn1 ZINC000630873255 565923904 /nfs/dbraw/zinc/92/39/04/565923904.db2.gz FHDYJYIOHGJGMK-GVDBMIGSSA-N 1 0 389.297 2.732 20 0 GFADRO Cc1cc(Br)sc1S(=O)(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000652371196 565923929 /nfs/dbraw/zinc/92/39/29/565923929.db2.gz MXPWTWLNIDYEBW-NEPJUHHUSA-N 1 0 393.372 2.829 20 0 GFADRO Cc1cc(Br)sc1S(=O)(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000652366861 565924581 /nfs/dbraw/zinc/92/45/81/565924581.db2.gz VIDDYCMLGAAYNU-VXGBXAGGSA-N 1 0 393.372 2.972 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(S(=O)(=O)Cc3ccc(Cl)c(F)c3)C2)C1 ZINC000652374209 565925556 /nfs/dbraw/zinc/92/55/56/565925556.db2.gz LSTDHKAXJMPXQQ-VBQJREDUSA-N 1 0 390.908 2.527 20 0 GFADRO C[C@H]1C[C@H]([NH2+]C[C@H]2CCCCN2S(=O)(=O)N(C)C)c2ccsc2S1 ZINC000676075683 565925800 /nfs/dbraw/zinc/92/58/00/565925800.db2.gz HQVBJQHTYSLPGS-GUTXKFCHSA-N 1 0 389.612 2.924 20 0 GFADRO CC[C@@H]1[C@@H](C(=O)NCc2cc(OC)c(OC)cc2Br)CC[N@@H+]1C ZINC000630897806 565925909 /nfs/dbraw/zinc/92/59/09/565925909.db2.gz KWKOBESFLWHJSP-GXTWGEPZSA-N 1 0 385.302 2.813 20 0 GFADRO C[NH+](C)CCOc1ccc(CNC(=O)c2c(F)cncc2Br)cc1 ZINC000630908141 565927440 /nfs/dbraw/zinc/92/74/40/565927440.db2.gz RLIBPOJTRKEXEP-UHFFFAOYSA-N 1 0 396.260 2.854 20 0 GFADRO CC(C)Oc1cc(C(=O)NC[C@H]2CCCC[N@@H+]2CCO)ccc1Br ZINC000652390407 565928663 /nfs/dbraw/zinc/92/86/63/565928663.db2.gz NMNDMCAITVJTBX-OAHLLOKOSA-N 1 0 399.329 2.813 20 0 GFADRO [NH3+]C[C@@H]1Cc2ccccc2N(S(=O)(=O)c2cc(F)ccc2Br)C1 ZINC000630950013 565929722 /nfs/dbraw/zinc/92/97/22/565929722.db2.gz DAMICZJFOILEIA-NSHDSACASA-N 1 0 399.285 2.915 20 0 GFADRO C[N@@H+]1CCC[C@@H](NC(=O)Nc2cc(F)c(I)c(F)c2)C1 ZINC000604537304 565931765 /nfs/dbraw/zinc/93/17/65/565931765.db2.gz LWNZZGQKXWFLTL-MRVPVSSYSA-N 1 0 395.191 2.785 20 0 GFADRO O=C(Nc1ccc(Cl)cc1Cl)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604667935 565933685 /nfs/dbraw/zinc/93/36/85/565933685.db2.gz OEJGBAKRYNDUKR-CQSZACIVSA-N 1 0 387.311 2.521 20 0 GFADRO Brc1cnccc1C[NH2+]C[C@H]1CN(Cc2ccccc2)CCO1 ZINC000631035892 565935615 /nfs/dbraw/zinc/93/56/15/565935615.db2.gz YIVWFWDKPBHVJW-KRWDZBQOSA-N 1 0 376.298 2.835 20 0 GFADRO CCO[C@@H]1CN(C(=O)Nc2cccc3c(Br)ccnc23)C[C@H]1C[NH3+] ZINC000652609037 565936144 /nfs/dbraw/zinc/93/61/44/565936144.db2.gz HFDDVOOYRIDYAC-IAQYHMDHSA-N 1 0 393.285 2.825 20 0 GFADRO CN(C)c1ncc(CNC(=O)N2CCc3sc(Br)cc3C2)n1C ZINC000676420429 565937272 /nfs/dbraw/zinc/93/72/72/565937272.db2.gz IATFLDUPOJGAQF-UHFFFAOYSA-N 1 0 398.330 2.578 20 0 GFADRO Cc1cc(S(=O)(=O)NCC[NH2+][C@@H]2CCN(c3ccccc3)C2)c(C)s1 ZINC000676418860 565937282 /nfs/dbraw/zinc/93/72/82/565937282.db2.gz RHGCOAVWHPKUBT-MRXNPFEDSA-N 1 0 379.551 2.512 20 0 GFADRO O=C(NCCC1CC[NH2+]CC1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000652644860 565937494 /nfs/dbraw/zinc/93/74/94/565937494.db2.gz JQCSBMKVCMQEFH-UHFFFAOYSA-N 1 0 377.794 2.803 20 0 GFADRO Fc1cc(Br)ccc1CCC[NH2+]Cc1cn(C[C@H]2CCOC2)nn1 ZINC000631074940 565938407 /nfs/dbraw/zinc/93/84/07/565938407.db2.gz LLBBOKYALWMIGF-CYBMUJFWSA-N 1 0 397.292 2.939 20 0 GFADRO CC(C)(COc1ncccc1Br)[NH2+]C[C@H]1CNc2ccnn2C1 ZINC000676495301 565941769 /nfs/dbraw/zinc/94/17/69/565941769.db2.gz OTAATPJGEVFCAM-GFCCVEGCSA-N 1 0 380.290 2.530 20 0 GFADRO C[C@@H]([NH2+]Cc1ccc(Cl)c(S(N)(=O)=O)c1)[C@H]1OCCc2sccc21 ZINC000631141610 565944460 /nfs/dbraw/zinc/94/44/60/565944460.db2.gz GGJCOCPGHDKONY-QLJPJBMISA-N 1 0 386.926 2.841 20 0 GFADRO CN1CCN(C(=O)c2ncc(Br)s2)[C@H](Cc2ccccc2)C1 ZINC000652882436 565944725 /nfs/dbraw/zinc/94/47/25/565944725.db2.gz SZCIQUOYGOJHLB-CYBMUJFWSA-N 1 0 380.311 2.905 20 0 GFADRO COc1cc(CNC2CC[NH+]([C@H]3CCOC3)CC2)c(F)cc1Br ZINC000631177391 565947082 /nfs/dbraw/zinc/94/70/82/565947082.db2.gz KOCIXMNOECQGNT-AWEZNQCLSA-N 1 0 387.293 2.940 20 0 GFADRO Cc1nc2cc(Br)cc(NC(=O)N[C@H](C)[C@@H]3CN(C)CCO3)c2o1 ZINC000652940315 565947824 /nfs/dbraw/zinc/94/78/24/565947824.db2.gz LVYWVCTZQYADIR-OTYXRUKQSA-N 1 0 397.273 2.739 20 0 GFADRO O=C([C@H]1CCOc2ccc(Br)cc21)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000653140576 565956083 /nfs/dbraw/zinc/95/60/83/565956083.db2.gz GTMVMMQQCNSFGN-KBXCAEBGSA-N 1 0 379.298 2.917 20 0 GFADRO O=C(c1cnc(-c2cccc(Cl)c2)s1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000653140638 565956248 /nfs/dbraw/zinc/95/62/48/565956248.db2.gz IZUBNVJJUJTJKJ-HNNXBMFYSA-N 1 0 376.913 2.583 20 0 GFADRO O=C(NCc1nc(-c2cccc(Br)c2)no1)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653160858 565957275 /nfs/dbraw/zinc/95/72/75/565957275.db2.gz YUYMZCMODWACNO-KBPBESRZSA-N 1 0 391.269 2.646 20 0 GFADRO COc1ccc(Br)cc1C(=O)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000653186580 565958412 /nfs/dbraw/zinc/95/84/12/565958412.db2.gz MHGIECJSFGLXNW-QEORTHHSSA-N 1 0 397.313 2.816 20 0 GFADRO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCCN2C(=O)c2[nH]nc(C3CC3)c2Br)C1 ZINC000653263286 565960549 /nfs/dbraw/zinc/96/05/49/565960549.db2.gz NZDVWLZTXPBUKM-FRRDWIJNSA-N 1 0 397.317 2.551 20 0 GFADRO COc1ccc(C(=O)N2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)cc1Br ZINC000653265042 565960686 /nfs/dbraw/zinc/96/06/86/565960686.db2.gz KKKIDCOPQNHGCD-YSVLISHTSA-N 1 0 397.313 2.959 20 0 GFADRO CN1CC[C@H]([NH+]2CCC(NC(=O)Nc3ccc(Cl)cc3Cl)CC2)C1=O ZINC000631529773 565960907 /nfs/dbraw/zinc/96/09/07/565960907.db2.gz NBJMQIIXWVJKHR-HNNXBMFYSA-N 1 0 385.295 2.810 20 0 GFADRO C[C@@H]1C[C@@H]([NH2+][C@H]2CCc3c2cccc3Br)C(=O)N1c1cnn(C)c1 ZINC000677139173 565961820 /nfs/dbraw/zinc/96/18/20/565961820.db2.gz ROARBNSRKMCTFL-ZTFRIQLXSA-N 1 0 389.297 2.954 20 0 GFADRO CC[N@@H+]1CCN(C(=O)c2cc(=O)[nH]c3ccc(Br)cc32)C[C@H]1C ZINC000677173680 565962689 /nfs/dbraw/zinc/96/26/89/565962689.db2.gz MLDWPETUPOCTOJ-LLVKDONJSA-N 1 0 378.270 2.869 20 0 GFADRO Cc1nc(-c2ccc(C(=O)NCCN3CCC([NH+](C)C)CC3)s2)cs1 ZINC000631625603 565964889 /nfs/dbraw/zinc/96/48/89/565964889.db2.gz OKGCULOPLHZIAM-UHFFFAOYSA-N 1 0 378.567 2.936 20 0 GFADRO Cc1ccc([C@H](CNC(=O)NCc2n[nH]cc2Br)[NH+](C)C)cc1 ZINC000606499839 565965800 /nfs/dbraw/zinc/96/58/00/565965800.db2.gz LTURLQAEUPCACO-HNNXBMFYSA-N 1 0 380.290 2.583 20 0 GFADRO O=C(Nc1nc(CC(F)(F)F)cs1)N1CCN(C[C@H]2CCCO2)CC1 ZINC000653459885 565966710 /nfs/dbraw/zinc/96/67/10/565966710.db2.gz CWORQJMESZHHLB-GFCCVEGCSA-N 1 0 378.420 2.576 20 0 GFADRO COc1cccc(NC(=O)C[C@@H](C)[NH2+]Cc2c(Br)cnn2C)c1 ZINC000631684917 565967432 /nfs/dbraw/zinc/96/74/32/565967432.db2.gz OPZSBFXXORNZBM-LLVKDONJSA-N 1 0 381.274 2.698 20 0 GFADRO COCC[N@H+](C)C[C@@H](O)CN1CCC[C@H]1c1cc(F)cc(Br)c1 ZINC000653618748 565973552 /nfs/dbraw/zinc/97/35/52/565973552.db2.gz WLCMYHRLEYPPGQ-SJORKVTESA-N 1 0 389.309 2.664 20 0 GFADRO CC(C)[NH2+][C@H]1CCCN(C(=O)Nc2cc(N(C)C)c(Br)cn2)C1 ZINC000653653615 565975843 /nfs/dbraw/zinc/97/58/43/565975843.db2.gz VVSFVSRREPETBM-LBPRGKRZSA-N 1 0 384.322 2.904 20 0 GFADRO C[C@@H](NC(=O)[C@@H](C)N1CCC([NH2+]CCO)CC1)c1ccc(Cl)cc1Cl ZINC000631865638 565979099 /nfs/dbraw/zinc/97/90/99/565979099.db2.gz FJLCUGJJNZEKCI-CHWSQXEVSA-N 1 0 388.339 2.605 20 0 GFADRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3cc(Br)c4nccn4c3)CC[C@@H]21 ZINC000631881821 565980027 /nfs/dbraw/zinc/98/00/27/565980027.db2.gz JWDISEOVRBWIHC-WFASDCNBSA-N 1 0 377.286 2.653 20 0 GFADRO OC[C@@H]1CCCCC[N@@H+]1C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000653783997 565981722 /nfs/dbraw/zinc/98/17/22/565981722.db2.gz AYDOCXXXRPGPOJ-GJZGRUSLSA-N 1 0 376.266 2.565 20 0 GFADRO CC(C)c1cc(Br)ccc1NC(=O)C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000677699722 565982228 /nfs/dbraw/zinc/98/22/28/565982228.db2.gz SFMMAZIOWNSPQY-ZDUSSCGKSA-N 1 0 382.302 2.721 20 0 GFADRO Cc1cc(Cl)c(Br)cc1S(=O)(=O)N1CCC(C)([NH3+])CC1 ZINC000631930797 565983307 /nfs/dbraw/zinc/98/33/07/565983307.db2.gz ZAQUQOIQKAPGEJ-UHFFFAOYSA-N 1 0 381.723 2.913 20 0 GFADRO C[C@H]1c2cc(Cl)cc(Cl)c2CCN1S(=O)(=O)N(C)C1CC[NH2+]CC1 ZINC000631926379 565983677 /nfs/dbraw/zinc/98/36/77/565983677.db2.gz VWFHBEBYMBNLFS-NSHDSACASA-N 1 0 392.352 2.841 20 0 GFADRO O=S(=O)(c1cscc1Br)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000631943575 565985028 /nfs/dbraw/zinc/98/50/28/565985028.db2.gz ZZSBCUOYEBGAME-NWDGAFQWSA-N 1 0 379.345 2.806 20 0 GFADRO CC[C@@H]([NH2+]Cc1cc(=O)n2cc(Br)ccc2n1)[C@@H]1CCCCO1 ZINC000653876177 565986446 /nfs/dbraw/zinc/98/64/46/565986446.db2.gz CDNCJLZWJGNTLU-CABCVRRESA-N 1 0 380.286 2.894 20 0 GFADRO [NH3+]C[C@H]1CC[C@H](NS(=O)(=O)c2cc(Br)sc2Cl)CC1 ZINC000631976366 565988174 /nfs/dbraw/zinc/98/81/74/565988174.db2.gz URPLGIIIXJMIAY-ZKCHVHJHSA-N 1 0 387.752 2.960 20 0 GFADRO Cc1ccc(Br)cc1C(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000607906978 565992710 /nfs/dbraw/zinc/99/27/10/565992710.db2.gz YNVVFQWINKDEMZ-QGZVFWFLSA-N 1 0 394.357 2.998 20 0 GFADRO O=C(CCc1ccc(Br)cc1F)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000607928124 565993335 /nfs/dbraw/zinc/99/33/35/565993335.db2.gz YFBWQBWGPMDXNI-CQSZACIVSA-N 1 0 399.304 2.702 20 0 GFADRO CC(C)S(=O)(=O)c1c(Cl)cccc1NC(=O)NCC1=CC[N@H+](C)CC1 ZINC000654068700 565994929 /nfs/dbraw/zinc/99/49/29/565994929.db2.gz UHEMKAXDFMWSIQ-UHFFFAOYSA-N 1 0 385.917 2.906 20 0 GFADRO NC(=O)CCC1CC[NH+](C[C@@H](O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000678087702 565998839 /nfs/dbraw/zinc/99/88/39/565998839.db2.gz WOXLMNNFNUWNHK-CYBMUJFWSA-N 1 0 375.296 2.711 20 0 GFADRO CC[NH+]1CCC(CNC(=O)N[C@H](CO)c2ccc(Br)cc2)CC1 ZINC000678111143 565999917 /nfs/dbraw/zinc/99/99/17/565999917.db2.gz WUVLXRGWLAPBMN-MRXNPFEDSA-N 1 0 384.318 2.514 20 0 GFADRO Brc1ccc(C2([NH2+]C[C@@H]3CNc4ccnn4C3)CCOCC2)cc1 ZINC000608060285 566001208 /nfs/dbraw/zinc/00/12/08/566001208.db2.gz UFGIEDNAGXXRGD-AWEZNQCLSA-N 1 0 391.313 2.983 20 0 GFADRO C[C@@H]1C[C@H]1N1C[C@H]([NH2+]Cc2cc(Br)c3c(c2)OCCCO3)CC1=O ZINC000608072835 566002041 /nfs/dbraw/zinc/00/20/41/566002041.db2.gz VTSMCOSIACYEES-UXIGCNINSA-N 1 0 395.297 2.709 20 0 GFADRO CN(C(=O)c1ccc(F)c(Br)c1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000608133444 566004836 /nfs/dbraw/zinc/00/48/36/566004836.db2.gz WOZDBCJVFIGSAB-HNNXBMFYSA-N 1 0 398.320 2.829 20 0 GFADRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)COc3cc(Cl)cc(Cl)c3)CC2)C1 ZINC000608136223 566006123 /nfs/dbraw/zinc/00/61/23/566006123.db2.gz FDEQHZVVTIEOKD-MRXNPFEDSA-N 1 0 386.323 2.611 20 0 GFADRO O=S1(=O)CCCN1CCC[NH2+][C@H]1CCc2c1cc(Br)cc2F ZINC000678580788 566013745 /nfs/dbraw/zinc/01/37/45/566013745.db2.gz MTMJGPIFOFKMEB-HNNXBMFYSA-N 1 0 391.306 2.591 20 0 GFADRO O=C(NCCCCn1cc(Br)cn1)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000654550061 566015010 /nfs/dbraw/zinc/01/50/10/566015010.db2.gz GCOYOMHAAYCQMO-HOTGVXAUSA-N 1 0 398.349 2.742 20 0 GFADRO C[NH+]1CCC(CCO)(NC(=O)[C@@H]2C[C@]2(C)c2cccc(Br)c2)CC1 ZINC000632322740 566021559 /nfs/dbraw/zinc/02/15/59/566021559.db2.gz WQFQWVBZTUKUAA-FUHWJXTLSA-N 1 0 395.341 2.690 20 0 GFADRO C[C@H](NC(=O)COc1ccc(Br)cn1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000632370102 566026132 /nfs/dbraw/zinc/02/61/32/566026132.db2.gz VKKNXHSDKCGSEH-UONOGXRCSA-N 1 0 396.329 2.992 20 0 GFADRO CN1C(=O)N[C@]2(CCC[C@@H]2C[NH2+][C@@H]2CCc3cc(Br)ccc32)C1=O ZINC000679063206 566028903 /nfs/dbraw/zinc/02/89/03/566028903.db2.gz FVGGDYDETJTHAS-DWQUBVKVSA-N 1 0 392.297 2.747 20 0 GFADRO CCN(C1CC[NH+](C)CC1)S(=O)(=O)Cc1ccc(Br)c(F)c1 ZINC000632408490 566029685 /nfs/dbraw/zinc/02/96/85/566029685.db2.gz IFDRRCHDUGZRIU-UHFFFAOYSA-N 1 0 393.322 2.834 20 0 GFADRO O=C(Nc1ccc(Br)c(F)c1)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000654948059 566031832 /nfs/dbraw/zinc/03/18/32/566031832.db2.gz XNXPPCWJPAKLBH-GJZGRUSLSA-N 1 0 398.276 2.660 20 0 GFADRO Cc1cc(S(=O)(=O)N2CCC([N@@H+]3CCCOCC3)CC2)sc1Cl ZINC000632451545 566033776 /nfs/dbraw/zinc/03/37/76/566033776.db2.gz RTVXSECEXRZAAP-UHFFFAOYSA-N 1 0 378.947 2.585 20 0 GFADRO CC(C)(CO)[NH+]1CCN(C(=O)CCCOc2cccc(Br)c2)CC1 ZINC000679314943 566036524 /nfs/dbraw/zinc/03/65/24/566036524.db2.gz UPOJEADWGOGINQ-UHFFFAOYSA-N 1 0 399.329 2.523 20 0 GFADRO CC(C)(CO)[NH+]1CCN(C(=O)CCCc2ccccc2Br)CC1 ZINC000679316420 566037025 /nfs/dbraw/zinc/03/70/25/566037025.db2.gz SRHZWNVINARKFL-UHFFFAOYSA-N 1 0 383.330 2.687 20 0 GFADRO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)c1cc(F)ccc1I ZINC000609383261 566037717 /nfs/dbraw/zinc/03/77/17/566037717.db2.gz KLWBGSVYEMBJLS-GFCCVEGCSA-N 1 0 388.224 2.644 20 0 GFADRO Brc1ccc([C@@H]([NH2+]CCCN2CCOCC2)[C@H]2CCCO2)cc1 ZINC000679329091 566038110 /nfs/dbraw/zinc/03/81/10/566038110.db2.gz ZAKUFWSEMMKHRH-QZTJIDSGSA-N 1 0 383.330 2.981 20 0 GFADRO C[C@H](NC(=O)NCCNc1cccc(Br)c1)C1CC[NH+](C)CC1 ZINC000679380636 566039935 /nfs/dbraw/zinc/03/99/35/566039935.db2.gz LRPKTTGGAQCELV-ZDUSSCGKSA-N 1 0 383.334 2.891 20 0 GFADRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)c2c(O)cnc3c(Br)cccc32)C1 ZINC000655243281 566047866 /nfs/dbraw/zinc/04/78/66/566047866.db2.gz VMEDRQWAHCPTCC-PHIMTYICSA-N 1 0 378.270 2.773 20 0 GFADRO O=C(CNC(=O)c1ccc(Cl)c(Cl)c1)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000655348261 566054106 /nfs/dbraw/zinc/05/41/06/566054106.db2.gz RHAGLWJTICOAJM-HOTGVXAUSA-N 1 0 384.307 2.856 20 0 GFADRO O=C(CNC(=O)c1ccc(Cl)c(Cl)c1)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000655348263 566054200 /nfs/dbraw/zinc/05/42/00/566054200.db2.gz RHAGLWJTICOAJM-HZPDHXFCSA-N 1 0 384.307 2.856 20 0 GFADRO COc1ccccc1[C@H]([NH3+])CNC(=O)[C@H](OC)c1ccccc1Br ZINC000655412399 566056349 /nfs/dbraw/zinc/05/63/49/566056349.db2.gz RMCSPYUIDLGXRB-NVXWUHKLSA-N 1 0 393.281 2.961 20 0 GFADRO O=C(N[C@@H]1CCN(c2ccc(Br)cc2)C1)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC000655447131 566057710 /nfs/dbraw/zinc/05/77/10/566057710.db2.gz RGJBOJORVRSAHZ-QGPMSJSTSA-N 1 0 378.314 2.534 20 0 GFADRO Cc1c(Br)cccc1CS(=O)(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000655473080 566058691 /nfs/dbraw/zinc/05/86/91/566058691.db2.gz BVTSWOMYAGUCAE-CYBMUJFWSA-N 1 0 387.343 2.661 20 0 GFADRO C[NH+](C)CCc1ccccc1NC(=O)COc1ccc(Br)cn1 ZINC000632686969 566059758 /nfs/dbraw/zinc/05/97/58/566059758.db2.gz XAQUMIREEWNCKL-UHFFFAOYSA-N 1 0 378.270 2.966 20 0 GFADRO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)c1ccc(I)c(F)c1 ZINC000609984390 566060007 /nfs/dbraw/zinc/06/00/07/566060007.db2.gz AZLQANYBOBKQTF-AWEZNQCLSA-N 1 0 390.240 2.843 20 0 GFADRO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)c1ccc(I)c(F)c1 ZINC000609984391 566060439 /nfs/dbraw/zinc/06/04/39/566060439.db2.gz AZLQANYBOBKQTF-CQSZACIVSA-N 1 0 390.240 2.843 20 0 GFADRO NC(=O)C1CC[NH+](C[C@@H](NCc2cscn2)c2ccc(Cl)cc2)CC1 ZINC000680338383 566067461 /nfs/dbraw/zinc/06/74/61/566067461.db2.gz FLANQSHLRXVXFZ-QGZVFWFLSA-N 1 0 378.929 2.825 20 0 GFADRO C[NH+]1CCC(CC(=O)NCCC(=O)Nc2ccc(Br)cc2)CC1 ZINC000680356031 566067621 /nfs/dbraw/zinc/06/76/21/566067621.db2.gz DABJHTQGHRBHEV-UHFFFAOYSA-N 1 0 382.302 2.626 20 0 GFADRO NS(=O)(=O)CCC[NH2+][C@@H](CC(F)(F)F)c1ccc(Br)cc1 ZINC000680433805 566070867 /nfs/dbraw/zinc/07/08/67/566070867.db2.gz ZEOYDIRDWLUJGF-NSHDSACASA-N 1 0 389.237 2.711 20 0 GFADRO O=C(c1ccn(-c2cccc(Br)c2)n1)N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000632860511 566071335 /nfs/dbraw/zinc/07/13/35/566071335.db2.gz KZICKKOXDFFWQX-CXAGYDPISA-N 1 0 389.297 2.849 20 0 GFADRO C[C@@H]1C[C@H]([NH3+])CN1C(=O)Nc1cc(Br)cnc1OCC(F)(F)F ZINC000632913215 566074162 /nfs/dbraw/zinc/07/41/62/566074162.db2.gz IMLOIWZQSLFJBE-APPZFPTMSA-N 1 0 397.195 2.739 20 0 GFADRO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)Nc1ccnn1Cc1ccccc1Br ZINC000632936228 566075174 /nfs/dbraw/zinc/07/51/74/566075174.db2.gz ISXMKAJNDZKCCC-DGCLKSJQSA-N 1 0 378.274 2.647 20 0 GFADRO Cc1ccc(Br)c(NC(=O)C(=O)N[C@@H]2CC[NH2+]CC(C)(C)C2)c1 ZINC000633045647 566080413 /nfs/dbraw/zinc/08/04/13/566080413.db2.gz IUQRPEGDDNQCHG-GFCCVEGCSA-N 1 0 382.302 2.590 20 0 GFADRO Cc1nn(-c2ccccc2Br)cc1C[NH2+][C@@H](C)[C@H]1CN(C)CCO1 ZINC000655747788 566086013 /nfs/dbraw/zinc/08/60/13/566086013.db2.gz XISJVMURWDPJFT-KBXCAEBGSA-N 1 0 393.329 2.752 20 0 GFADRO OC[C@H]([NH2+]C1CCN(C[C@H]2CCCO2)CC1)c1ccc(Br)cc1 ZINC000655737157 566086214 /nfs/dbraw/zinc/08/62/14/566086214.db2.gz WGGACXAGOGIQAM-MSOLQXFVSA-N 1 0 383.330 2.716 20 0 GFADRO NC(=O)C[C@H]([NH2+]Cc1oc2ccccc2c1Br)C1CCOCC1 ZINC000655754432 566086933 /nfs/dbraw/zinc/08/69/33/566086933.db2.gz QFMMUUCHVZSALU-ZDUSSCGKSA-N 1 0 381.270 2.956 20 0 GFADRO Cc1cc(Br)cc(C(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)c1 ZINC000680970603 566089029 /nfs/dbraw/zinc/08/90/29/566089029.db2.gz OFBKRDHCBVAWDP-MRXNPFEDSA-N 1 0 380.330 2.656 20 0 GFADRO [NH3+]C[C@H](NC(=O)N1CCC[C@@H](c2nc3c(s2)CCCC3)C1)C(F)(F)F ZINC000655919423 566095085 /nfs/dbraw/zinc/09/50/85/566095085.db2.gz CIOZMNNQROGZCY-MFKMUULPSA-N 1 0 376.448 2.801 20 0 GFADRO [NH3+]C[C@@H](NC(=O)N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1)C(F)(F)F ZINC000655928606 566096185 /nfs/dbraw/zinc/09/61/85/566096185.db2.gz MSKKOFUUWXUSON-JOYOIKCWSA-N 1 0 385.217 2.761 20 0 GFADRO [NH3+]C[C@H](NC(=O)N1CCC(c2nc3c(s2)CCCC3)CC1)C(F)(F)F ZINC000655931796 566096681 /nfs/dbraw/zinc/09/66/81/566096681.db2.gz PQKLHNKKEMEVQZ-ZDUSSCGKSA-N 1 0 376.448 2.801 20 0 GFADRO [NH3+]C[C@H](NC(=O)N1CCc2c(Br)ccc(F)c2C1)C(F)(F)F ZINC000655923867 566097036 /nfs/dbraw/zinc/09/70/36/566097036.db2.gz CRAZIQCIZSDUBJ-NSHDSACASA-N 1 0 384.171 2.546 20 0 GFADRO [NH3+]C[C@H](NC(=O)N[C@@H]1CCc2c1ccc(F)c2Br)C(F)(F)F ZINC000655932436 566098032 /nfs/dbraw/zinc/09/80/32/566098032.db2.gz VPDDLMZGMWDYRZ-ZJUUUORDSA-N 1 0 384.171 2.764 20 0 GFADRO [NH3+]C[C@H](NC(=O)N1CC[C@H](c2cccc(Br)c2)C1)C(F)(F)F ZINC000655931819 566098234 /nfs/dbraw/zinc/09/82/34/566098234.db2.gz PWLDQQQZQQVKLB-JQWIXIFHSA-N 1 0 380.208 2.838 20 0 GFADRO COC(=O)C[C@H]1CSCC[N@@H+]1C[C@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000610781371 566098466 /nfs/dbraw/zinc/09/84/66/566098466.db2.gz IKINKPBWVNYOEZ-RYUDHWBXSA-N 1 0 394.320 2.714 20 0 GFADRO Cc1c(Br)cccc1CS(=O)(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000655951052 566098806 /nfs/dbraw/zinc/09/88/06/566098806.db2.gz QSQXHFVUDFBDBE-INIZCTEOSA-N 1 0 383.311 2.877 20 0 GFADRO CN(CCCC[NH+](C)C)C(=O)c1ccc(F)c(I)c1 ZINC000610786240 566098750 /nfs/dbraw/zinc/09/87/50/566098750.db2.gz WIINBZZBTSQCNT-UHFFFAOYSA-N 1 0 378.229 2.844 20 0 GFADRO COC(=O)[C@@H](c1cc(Cl)cc(Cl)c1)N1CC[NH+](C(C)(C)CO)CC1 ZINC000610787387 566098900 /nfs/dbraw/zinc/09/89/00/566098900.db2.gz XRHYIOHJRTXAMW-OAHLLOKOSA-N 1 0 375.296 2.596 20 0 GFADRO CN1CC[NH+](CC2(C)CCN(c3ncc(Br)cc3F)CC2)CC1 ZINC000681395072 566105001 /nfs/dbraw/zinc/10/50/01/566105001.db2.gz MLDKJFZQQHIJNF-UHFFFAOYSA-N 1 0 385.325 2.837 20 0 GFADRO CC[C@H](C[NH+]1CCCC1)NC(=O)Cc1ccccc1I ZINC000610922948 566106054 /nfs/dbraw/zinc/10/60/54/566106054.db2.gz JKOCTWRNIJTSPN-CQSZACIVSA-N 1 0 386.277 2.824 20 0 GFADRO C[C@H]1CN(c2ncc3scc(Br)c3n2)CC[N@@H+]1CC(C)(C)O ZINC000656173623 566110491 /nfs/dbraw/zinc/11/04/91/566110491.db2.gz AVSODZSBDWLUFK-JTQLQIEISA-N 1 0 385.331 2.735 20 0 GFADRO CCC(C)(C)[NH+]1CCN(c2ccc(S(N)(=O)=O)cc2C(F)(F)F)CC1 ZINC000656215457 566114082 /nfs/dbraw/zinc/11/40/82/566114082.db2.gz XWBPSMMSDLEROI-UHFFFAOYSA-N 1 0 379.448 2.663 20 0 GFADRO CC[N@@H+]1CCN(C(=O)Nc2ccc(Br)cc2C(=O)OC)C[C@@H]1C ZINC000611095785 566114072 /nfs/dbraw/zinc/11/40/72/566114072.db2.gz FAWDCAIEIRYHBO-NSHDSACASA-N 1 0 384.274 2.794 20 0 GFADRO Cc1nn(-c2ccccc2Br)cc1C[NH+]1CCC(C(N)=O)CC1 ZINC000656248675 566115467 /nfs/dbraw/zinc/11/54/67/566115467.db2.gz XMYIWGWXBZNMBF-UHFFFAOYSA-N 1 0 377.286 2.641 20 0 GFADRO Cc1nn(-c2ccccc2Br)cc1C[N@@H+](C[C@@H](O)CO)C(C)C ZINC000656264471 566120510 /nfs/dbraw/zinc/12/05/10/566120510.db2.gz KDPMBQWIUGBPON-OAHLLOKOSA-N 1 0 382.302 2.507 20 0 GFADRO CC[NH+]1CCN(CCC(=O)N(C)Cc2ccc(Br)cc2F)CC1 ZINC000633761239 566121963 /nfs/dbraw/zinc/12/19/63/566121963.db2.gz OMJNBSVUMYPJEU-UHFFFAOYSA-N 1 0 386.309 2.574 20 0 GFADRO O=C(NCc1cccc(Cl)c1Cl)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000656290556 566121895 /nfs/dbraw/zinc/12/18/95/566121895.db2.gz BGCULHLXXPBHHQ-CABCVRRESA-N 1 0 384.307 2.743 20 0 GFADRO C[N@@H+]1CCC[C@@H](NC(=O)Nc2ccnn2Cc2cccc(Br)c2)C1 ZINC000681779895 566125169 /nfs/dbraw/zinc/12/51/69/566125169.db2.gz RDUSUDUALINAOA-OAHLLOKOSA-N 1 0 392.301 2.910 20 0 GFADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)c1nn(C)cc1Br ZINC000633802862 566125549 /nfs/dbraw/zinc/12/55/49/566125549.db2.gz KXIJUPDFRPPWNU-HIFRSBDPSA-N 1 0 391.313 2.681 20 0 GFADRO O=C(c1cnc2ncc(Br)cc2c1)N1CC[NH+](CC2CC2)CC1 ZINC000681964081 566135070 /nfs/dbraw/zinc/13/50/70/566135070.db2.gz FVNBCGDJLVSNTE-UHFFFAOYSA-N 1 0 375.270 2.560 20 0 GFADRO O=C(c1cnc2ncc(Br)cc2c1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000681983562 566136223 /nfs/dbraw/zinc/13/62/23/566136223.db2.gz OFOVIDILUMHTKZ-OAHLLOKOSA-N 1 0 375.270 2.703 20 0 GFADRO CC1(C)CN(Cc2cccc(Br)c2OC(F)F)CC[N@@H+]1CCO ZINC000682034705 566139997 /nfs/dbraw/zinc/13/99/97/566139997.db2.gz LMUSGXKOUBXABJ-UHFFFAOYSA-N 1 0 393.272 2.939 20 0 GFADRO C[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cccnc2-c2ccc(Cl)s2)C1 ZINC000682081511 566142784 /nfs/dbraw/zinc/14/27/84/566142784.db2.gz MZQVVKJTNISFKC-LLVKDONJSA-N 1 0 378.885 2.612 20 0 GFADRO CCOc1ccc(Br)cc1S(=O)(=O)NCC1([NH+](C)C)CCC1 ZINC000682083334 566143193 /nfs/dbraw/zinc/14/31/93/566143193.db2.gz OJWODONELOSMMR-UHFFFAOYSA-N 1 0 391.331 2.610 20 0 GFADRO Cc1c(F)c(Br)ccc1C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000611873598 566144560 /nfs/dbraw/zinc/14/45/60/566144560.db2.gz CMVLUUWQMRJJET-UHFFFAOYSA-N 1 0 385.277 2.833 20 0 GFADRO CC1(C)CN(Cc2ccc(OC(F)F)c(Br)c2)CC[N@@H+]1CCO ZINC000682166603 566145934 /nfs/dbraw/zinc/14/59/34/566145934.db2.gz QMKUQRUKTLEHCN-UHFFFAOYSA-N 1 0 393.272 2.939 20 0 GFADRO CCO[C@H]1CCC[N@H+](C[C@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000682187628 566146286 /nfs/dbraw/zinc/14/62/86/566146286.db2.gz XULLCHNSEHZKPL-GJZGRUSLSA-N 1 0 376.266 2.829 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)C(=O)N[C@H](C)C1CC[NH+](C)CC1 ZINC000682196093 566146728 /nfs/dbraw/zinc/14/67/28/566146728.db2.gz MLAUSMFNZCZTJJ-GFCCVEGCSA-N 1 0 396.329 2.797 20 0 GFADRO C[C@H](C[NH+]1CCCCC1)NS(=O)(=O)Cc1ccc(OC(F)(F)F)cc1 ZINC000682256240 566148394 /nfs/dbraw/zinc/14/83/94/566148394.db2.gz NQULDRLHGZAHFU-CYBMUJFWSA-N 1 0 380.432 2.879 20 0 GFADRO CC(C)(C)C[N@H+](CCO)C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000682219471 566148401 /nfs/dbraw/zinc/14/84/01/566148401.db2.gz YZBQZNUBTWIQPD-AWEZNQCLSA-N 1 0 378.282 2.668 20 0 GFADRO CC[C@@H]([NH2+]C)C(=O)NC1CCN(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000634299698 566151173 /nfs/dbraw/zinc/15/11/73/566151173.db2.gz YNOQGGFAIPZXBT-OAHLLOKOSA-N 1 0 397.317 2.560 20 0 GFADRO C[C@H](C[S@](C)=O)[NH2+]Cc1sc(N2CCOCC2)nc1-c1ccccc1 ZINC000612201840 566154677 /nfs/dbraw/zinc/15/46/77/566154677.db2.gz DASBHHNURVPQPR-PWECECGKSA-N 1 0 379.551 2.503 20 0 GFADRO Cc1c(Br)cncc1C(=O)N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000612334228 566159009 /nfs/dbraw/zinc/15/90/09/566159009.db2.gz KDUABBLOHFDVMX-OAHLLOKOSA-N 1 0 396.329 2.870 20 0 GFADRO COCCC[N@H+](C)CCNC(=O)Cc1ccc(Br)c(Cl)c1 ZINC000682506602 566159682 /nfs/dbraw/zinc/15/96/82/566159682.db2.gz TUOWIYFBKOVYRT-UHFFFAOYSA-N 1 0 377.710 2.730 20 0 GFADRO CN(C)Cc1cc([N-]S(=O)(=O)c2c(C(F)(F)F)cnn2C)ccc1Cl ZINC000634658255 566165415 /nfs/dbraw/zinc/16/54/15/566165415.db2.gz YCXRWCCUWFVSKT-UHFFFAOYSA-N 1 0 396.822 2.955 20 0 GFADRO CC(C)[C@@H](C[NH2+][C@@H](C(N)=O)c1ccc(Br)cc1F)c1ccnn1C ZINC000682614240 566166090 /nfs/dbraw/zinc/16/60/90/566166090.db2.gz UPCWVJRFENPTGC-CZUORRHYSA-N 1 0 397.292 2.878 20 0 GFADRO CC[N@@H+]1CCN(Cc2ccc(Br)cc2N2CCOCC2)C[C@@H]1C ZINC000682779306 566169261 /nfs/dbraw/zinc/16/92/61/566169261.db2.gz XWMDZSWQPZYIGT-HNNXBMFYSA-N 1 0 382.346 2.812 20 0 GFADRO C[C@@H](NC(=O)c1cc(-c2cccc(Br)c2)no1)[C@H]1CN(C)CCO1 ZINC000612670893 566169424 /nfs/dbraw/zinc/16/94/24/566169424.db2.gz ODAYLERIMDRGDX-BDJLRTHQSA-N 1 0 394.269 2.553 20 0 GFADRO C[C@](O)(C[C@@H](O)C[NH2+]C[C@H]1CCN(c2cccc(Br)c2)C1)C1CC1 ZINC000634701070 566170416 /nfs/dbraw/zinc/17/04/16/566170416.db2.gz JYRWFOYDNKGKGO-ZMYBRWDISA-N 1 0 397.357 2.777 20 0 GFADRO COC1([C@@H](C)[NH2+]C[C@@H](O)COc2cc(Cl)cc(Cl)c2)CCOCC1 ZINC000634717866 566171795 /nfs/dbraw/zinc/17/17/95/566171795.db2.gz SHJZJCSFCCCSSK-IUODEOHRSA-N 1 0 378.296 2.907 20 0 GFADRO C[NH+](C)[C@H](CNS(=O)(=O)c1ncccc1Br)C1CCCCC1 ZINC000656875150 566172239 /nfs/dbraw/zinc/17/22/39/566172239.db2.gz CIBFHPAOZLRVHO-CQSZACIVSA-N 1 0 390.347 2.633 20 0 GFADRO Cc1nc(CS(=O)(=O)NCC2CC[NH+](Cc3ccccc3)CC2)cs1 ZINC000682835394 566172636 /nfs/dbraw/zinc/17/26/36/566172636.db2.gz UVPJPZWUFQENBU-UHFFFAOYSA-N 1 0 379.551 2.783 20 0 GFADRO C[C@@H](NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ncc(Br)cn1 ZINC000634713810 566172600 /nfs/dbraw/zinc/17/26/00/566172600.db2.gz BFXZNSMITPVNFQ-KDOFPFPSSA-N 1 0 391.313 2.527 20 0 GFADRO C[C@@H](C(=O)Nc1ccccc1Br)N(C)[C@@H]1CCCCN(C)C1=O ZINC000634737227 566173368 /nfs/dbraw/zinc/17/33/68/566173368.db2.gz LSURFRBXWQVDIJ-SWLSCSKDSA-N 1 0 382.302 2.719 20 0 GFADRO Cc1noc([C@@H]2OCC[C@@H]2[NH2+]C[C@@H](O)COc2cc(Cl)cc(Cl)c2)n1 ZINC000634722850 566173492 /nfs/dbraw/zinc/17/34/92/566173492.db2.gz VVKHZTIIVSVOSS-VHDGCEQUSA-N 1 0 388.251 2.544 20 0 GFADRO O[C@H](C[NH2+]C1CCN([C@@H]2CCOC2)CC1)COc1cc(Cl)cc(Cl)c1 ZINC000634722656 566173863 /nfs/dbraw/zinc/17/38/63/566173863.db2.gz SFKHDTSWLAXMBF-IAGOWNOFSA-N 1 0 389.323 2.576 20 0 GFADRO C[C@H]1CCC[N@@H+](C(C)(C)CNS(=O)(=O)c2ncccc2Br)C1 ZINC000656884039 566174087 /nfs/dbraw/zinc/17/40/87/566174087.db2.gz VWRPUQBTYSUCRR-LBPRGKRZSA-N 1 0 390.347 2.633 20 0 GFADRO CC1(C)C[NH2+]CC[C@H](NC(=O)c2ccc3cncc(Br)c3n2)C1 ZINC000634764843 566174915 /nfs/dbraw/zinc/17/49/15/566174915.db2.gz CXNNMKIMFNTSHC-LBPRGKRZSA-N 1 0 377.286 2.900 20 0 GFADRO C[NH+](C)CC1CCC(NC(=O)c2cc(Br)cc3[nH]c(=O)[nH]c32)CC1 ZINC000612797196 566175871 /nfs/dbraw/zinc/17/58/71/566175871.db2.gz XPUSVANJDGRGTK-UHFFFAOYSA-N 1 0 395.301 2.881 20 0 GFADRO C[C@@]1(NC(=O)NCc2cc(Br)ccc2OC(F)F)CC[NH2+]C1 ZINC000612875758 566178160 /nfs/dbraw/zinc/17/81/60/566178160.db2.gz PSJOYLRUMQVHAG-CQSZACIVSA-N 1 0 378.217 2.602 20 0 GFADRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)S(=O)(=O)Cc1cc(F)ccc1Br ZINC000656916516 566183585 /nfs/dbraw/zinc/18/35/85/566183585.db2.gz SSAHOZSXATYVLH-ABAIWWIYSA-N 1 0 393.322 2.690 20 0 GFADRO CC(C)[NH+](CCCNS(=O)(=O)c1ncccc1Br)C(C)C ZINC000656925100 566184838 /nfs/dbraw/zinc/18/48/38/566184838.db2.gz QGYDOJMRTVWHOA-UHFFFAOYSA-N 1 0 378.336 2.631 20 0 GFADRO O=S1(=O)CCC[C@H]([NH2+][C@@H]2COc3cc(F)c(Br)cc32)CC1 ZINC000634979517 566186971 /nfs/dbraw/zinc/18/69/71/566186971.db2.gz GVKCRVGXDQDGNI-TVQRCGJNSA-N 1 0 378.263 2.579 20 0 GFADRO COc1cccc(Cl)c1NC(=O)C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000635025250 566189578 /nfs/dbraw/zinc/18/95/78/566189578.db2.gz DMYOZUWLRHTNLR-LBPRGKRZSA-N 1 0 381.885 2.768 20 0 GFADRO C[C@@H](NC(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1)c1ccc(Br)cc1 ZINC000683708654 566210499 /nfs/dbraw/zinc/21/04/99/566210499.db2.gz DSBVARCVVVSPRP-XOKHGSTOSA-N 1 0 396.329 2.751 20 0 GFADRO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NCc1c(Br)cnn1C ZINC000683771274 566213408 /nfs/dbraw/zinc/21/34/08/566213408.db2.gz DMHFCQIRFUYCRX-CJNGLKHVSA-N 1 0 378.318 2.578 20 0 GFADRO C[C@@H](Oc1cc(Cl)cc(Cl)c1)C(=O)N1CCC[C@](O)(C[NH+](C)C)C1 ZINC000683913642 566218454 /nfs/dbraw/zinc/21/84/54/566218454.db2.gz ZCUYXRPKMCKMLC-PXAZEXFGSA-N 1 0 375.296 2.676 20 0 GFADRO C[C@H](CCNS(=O)(=O)c1cc(Br)sc1Cl)[NH+](C)C ZINC000657091038 566221770 /nfs/dbraw/zinc/22/17/70/566221770.db2.gz LFMMUGFTWVEEKK-SSDOTTSWSA-N 1 0 375.741 2.783 20 0 GFADRO CCCOc1ccc(Br)cc1S(=O)(=O)NCC[C@@H](C)[NH+](C)C ZINC000657092370 566221861 /nfs/dbraw/zinc/22/18/61/566221861.db2.gz URFQFCFQSFNSLI-GFCCVEGCSA-N 1 0 393.347 2.856 20 0 GFADRO C[NH+](C)C[C@]1(O)CCCN(C(=O)C2(c3ccc(Br)cc3)CCC2)C1 ZINC000684173966 566229064 /nfs/dbraw/zinc/22/90/64/566229064.db2.gz AWLOHSKVTFGDBP-GOSISDBHSA-N 1 0 395.341 2.786 20 0 GFADRO Cn1cc([C@@H]2NC(=O)CC[C@H]2[NH2+]Cc2cc(Br)ccc2Cl)cn1 ZINC000275644144 570698039 /nfs/dbraw/zinc/69/80/39/570698039.db2.gz TWNBZAWJTVDVDO-ZBFHGGJFSA-N 1 0 397.704 2.946 20 0 GFADRO COC1(c2nc(C3CCOCC3)no2)CC[NH+](Cc2scnc2C)CC1 ZINC000583615899 570800904 /nfs/dbraw/zinc/80/09/04/570800904.db2.gz LLTTVOAPQKFTSB-UHFFFAOYSA-N 1 0 378.498 2.866 20 0 GFADRO C[N@H+](Cc1ccc(-c2nn[nH]n2)cc1F)C1CCN(C(=O)c2ccccc2)CC1 ZINC000736817273 598831522 /nfs/dbraw/zinc/83/15/22/598831522.db2.gz WBPXZPAGWNRRSX-UHFFFAOYSA-N 1 0 394.454 2.742 20 0 GFADRO C[C@H]([NH2+]C1(CNc2ncccc2-c2nn[nH]n2)CCOCC1)c1ccccc1 ZINC000736132954 598831902 /nfs/dbraw/zinc/83/19/02/598831902.db2.gz QGULLDSRAZYJTO-HNNXBMFYSA-N 1 0 379.468 2.574 20 0 GFADRO OCCC[N@H+](Cc1cn2ccccc2c1-c1nn[nH]n1)[C@H]1CCc2ccccc21 ZINC000738393532 598897810 /nfs/dbraw/zinc/89/78/10/598897810.db2.gz JIZIVVVRPJKINP-IBGZPJMESA-N 1 0 388.475 2.991 20 0 GFADRO C[C@@H]1CC(NC(=O)N(CC[NH+](C)C)Cc2ccc(-c3nn[nH]n3)cc2)C[C@@H](C)C1 ZINC000736222223 598907838 /nfs/dbraw/zinc/90/78/38/598907838.db2.gz BOWMKYHUWPDPEE-HOTGVXAUSA-N 1 0 399.543 2.765 20 0 GFADRO c1ccc2cc(CC[NH+]3CCN(c4cc(-c5nn[nH]n5)ccn4)CC3)ccc2c1 ZINC000738443583 598915956 /nfs/dbraw/zinc/91/59/56/598915956.db2.gz YHAHZUYGBAYJAD-UHFFFAOYSA-N 1 0 385.475 2.780 20 0 GFADRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000736288496 598943394 /nfs/dbraw/zinc/94/33/94/598943394.db2.gz HXWRRTXFXFVSOL-KRWDZBQOSA-N 1 0 390.491 2.532 20 0 GFADRO CC[N@@H+](CC(=O)Nc1c(-c2nn[nH]n2)c(C)c(C)n1Cc1ccco1)CC(C)C ZINC000736510786 598945557 /nfs/dbraw/zinc/94/55/57/598945557.db2.gz KOIQCTSEOIGFNU-UHFFFAOYSA-N 1 0 399.499 2.843 20 0 GFADRO Cc1ccccc1C[C@H]1CCC[N@@H+]1C[C@@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000737428241 598947453 /nfs/dbraw/zinc/94/74/53/598947453.db2.gz VIHVOJRSTPYIGZ-WOJBJXKFSA-N 1 0 393.491 2.622 20 0 GFADRO CC1CC[NH+](C[C@H]2CCCN(c3c4ccccc4nnc3-c3nn[nH]n3)C2)CC1 ZINC000736275978 598963032 /nfs/dbraw/zinc/96/30/32/598963032.db2.gz LTIKHRIHPCJRLW-MRXNPFEDSA-N 1 0 392.511 2.758 20 0 GFADRO COc1ccc([C@H]2CC[N@H+](CCOc3ccc(-c4nn[nH]n4)cc3OC)C2)cc1 ZINC000737073654 598985662 /nfs/dbraw/zinc/98/56/62/598985662.db2.gz AKAYTEZZMHPOIM-KRWDZBQOSA-N 1 0 395.463 2.752 20 0 GFADRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+]2C[C@@H](C)C[C@@H]2C)c1-c1nn[nH]n1 ZINC000737202501 598990794 /nfs/dbraw/zinc/99/07/94/598990794.db2.gz MWMSWWICYNHUGD-STQMWFEESA-N 1 0 397.483 2.595 20 0 GFADRO CN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000736812713 599029916 /nfs/dbraw/zinc/02/99/16/599029916.db2.gz GJPCZLCDGSLCMF-FQEVSTJZSA-N 1 0 390.491 2.880 20 0 GFADRO C[NH+](C)CCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000736767189 599071341 /nfs/dbraw/zinc/07/13/41/599071341.db2.gz NJGYEEFPTXGYIS-WOJBJXKFSA-N 1 0 396.539 2.973 20 0 GFADRO C[N@@H+]1CCC[C@@H](CNC(=O)Cc2ccc(-c3nn[nH]n3)cc2)[C@H]1c1cccs1 ZINC000736858182 599085241 /nfs/dbraw/zinc/08/52/41/599085241.db2.gz QWGCCFIWLBZQBN-LPHOPBHVSA-N 1 0 396.520 2.670 20 0 GFADRO CN(C(=O)c1cccc(Oc2ccc(-c3nn[nH]n3)cc2)c1)[C@@H]1CCC[N@H+](C)C1 ZINC000736857360 599091061 /nfs/dbraw/zinc/09/10/61/599091061.db2.gz NDIZZXROVKQCJE-QGZVFWFLSA-N 1 0 392.463 2.825 20 0 GFADRO CC(C)(C[NH2+][C@@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1)c1cccc(Cl)c1 ZINC000735670905 599095250 /nfs/dbraw/zinc/09/52/50/599095250.db2.gz XQIHCHOILDRYKI-MRXNPFEDSA-N 1 0 384.871 2.614 20 0 GFADRO C[C@H]1CCC[C@@H](C(=O)N2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC000736244914 599097598 /nfs/dbraw/zinc/09/75/98/599097598.db2.gz PLDNNJBDTGQKAG-QFBILLFUSA-N 1 0 382.512 2.727 20 0 GFADRO C/C(=C/C(=O)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)C(C)(C)C ZINC000819765425 599134516 /nfs/dbraw/zinc/13/45/16/599134516.db2.gz PXHJAKPDPOACQK-PEZBUJJGSA-N 1 0 382.512 2.893 20 0 GFADRO O=C(Nc1ccc(O)cc1)C1CC[NH+](Cc2cc(-c3nn[nH]n3)ccc2F)CC1 ZINC000738174546 599134621 /nfs/dbraw/zinc/13/46/21/599134621.db2.gz UAEONLJNTNCXEX-UHFFFAOYSA-N 1 0 396.426 2.562 20 0 GFADRO O=C(CC[N@@H+]1CC[C@@H](Cc2ccccc2)C1)Nc1ccccc1-c1nn[nH]n1 ZINC000737837402 599136824 /nfs/dbraw/zinc/13/68/24/599136824.db2.gz GGUSXDPTUGWXJM-KRWDZBQOSA-N 1 0 376.464 2.760 20 0 GFADRO Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](Cc3ccccc3)C2)c(-c2nn[nH]n2)c1C ZINC000737548975 599136897 /nfs/dbraw/zinc/13/68/97/599136897.db2.gz SJSIGWXJTNGVSV-RHSMWYFYSA-N 1 0 394.479 2.968 20 0 GFADRO C[C@@H]1C[N@H+](C[C@@H](O)COc2ccc(-c3nn[nH]n3)cc2)CC[C@@H]1c1ccccc1 ZINC000736285557 599143931 /nfs/dbraw/zinc/14/39/31/599143931.db2.gz KSPKYKFPQUKEPI-BSIFCXSSSA-N 1 0 393.491 2.732 20 0 GFADRO CC[C@H]([NH2+]Cc1ccc(OC)c(-c2nn[nH]n2)c1)[C@@H](O)c1c(F)cccc1F ZINC000820925262 599157750 /nfs/dbraw/zinc/15/77/50/599157750.db2.gz FYTZXCFKMWTHOX-MAUKXSAKSA-N 1 0 389.406 2.755 20 0 GFADRO CC[C@@H]([NH2+]Cc1ccc(OC)c(-c2nn[nH]n2)c1)[C@@H](O)c1c(F)cccc1F ZINC000820925261 599158016 /nfs/dbraw/zinc/15/80/16/599158016.db2.gz FYTZXCFKMWTHOX-CRAIPNDOSA-N 1 0 389.406 2.755 20 0 GFADRO C[C@](CO)([NH2+]Cc1cccc(-c2nn[nH]n2)c1)c1cccc(C(F)(F)F)c1 ZINC000736038515 599175991 /nfs/dbraw/zinc/17/59/91/599175991.db2.gz VQWFXSLYIBRKKA-QGZVFWFLSA-N 1 0 377.370 2.883 20 0 GFADRO C[C@H]1CCN(C(=O)c2sccc2-c2nn[nH]n2)CC[N@@H+]1Cc1ccccc1 ZINC000820716803 599217536 /nfs/dbraw/zinc/21/75/36/599217536.db2.gz LLDULZTUGMHAIQ-AWEZNQCLSA-N 1 0 382.493 2.665 20 0 GFADRO C[C@H]1CCN(C(=O)Cc2ccc(-c3nn[nH]n3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000820717732 599217646 /nfs/dbraw/zinc/21/76/46/599217646.db2.gz VLYCYTUJMVRCFZ-KRWDZBQOSA-N 1 0 390.491 2.532 20 0 GFADRO c1ccc(C[NH+]2CCC(Nc3c(-c4nn[nH]n4)cnc4ccccc43)CC2)cc1 ZINC000738433143 599254154 /nfs/dbraw/zinc/25/41/54/599254154.db2.gz OKFHHQQGRQXSKR-UHFFFAOYSA-N 1 0 385.475 2.913 20 0 GFADRO C[C@@H](NC(=O)Nc1cccc(OCC[NH+](C)C)c1)c1cccc(-c2nn[nH]n2)c1 ZINC000820379550 599254010 /nfs/dbraw/zinc/25/40/10/599254010.db2.gz CXQISBOZTKLBKT-CQSZACIVSA-N 1 0 395.467 2.690 20 0 GFADRO O=C(Nc1ccc(CC[NH+]2CCCC2)cc1)c1ncc(-c2nn[nH]n2)cc1Cl ZINC000823323080 607300317 /nfs/dbraw/zinc/30/03/17/607300317.db2.gz ALHFSTLBUXWVLJ-UHFFFAOYSA-N 1 0 397.870 2.806 20 0 GFADRO CC[NH+](CC)CCNC(=O)c1cccc(NCc2cccc(-c3nn[nH]n3)c2)c1 ZINC000821189743 607312435 /nfs/dbraw/zinc/31/24/35/607312435.db2.gz RWKCOOIJBSNITI-UHFFFAOYSA-N 1 0 393.495 2.550 20 0 GFADRO CCc1ccc([C@H]2CCC[N@@H+]2C[C@H](O)COc2ccc(-c3nn[nH]n3)cc2)o1 ZINC000736689407 599271954 /nfs/dbraw/zinc/27/19/54/599271954.db2.gz WOIFPOFGBYQRAZ-MAUKXSAKSA-N 1 0 383.452 2.599 20 0 GFADRO CC1CC[NH+](CCNC(=O)Nc2ccc(-c3nn[nH]n3)c(C(F)(F)F)c2)CC1 ZINC000820723090 599291297 /nfs/dbraw/zinc/29/12/97/599291297.db2.gz VRTBSYZMVTYBBJ-UHFFFAOYSA-N 1 0 397.405 2.739 20 0 GFADRO CC(C)c1cnc(CN(C)[C@H]2CC[N@H+](Cc3ccc(F)cc3-c3nn[nH]n3)C2)o1 ZINC000735932488 599291811 /nfs/dbraw/zinc/29/18/11/599291811.db2.gz MRRZJWPBIDTTNN-INIZCTEOSA-N 1 0 399.474 2.824 20 0 GFADRO CCCOc1cccc(CC[NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)c1 ZINC000821138890 607333946 /nfs/dbraw/zinc/33/39/46/607333946.db2.gz JKFAWLMRJUIORS-UHFFFAOYSA-N 1 0 377.452 2.636 20 0 GFADRO CC(C)Cc1ccc(C[NH+]2CCN(c3cc(-c4nn[nH]n4)ccn3)CC2)cc1 ZINC000735848894 598249412 /nfs/dbraw/zinc/24/94/12/598249412.db2.gz BYMCZTSCVJIRTD-UHFFFAOYSA-N 1 0 377.496 2.782 20 0 GFADRO C[C@H](NC(=O)N(C)Cc1ccc(C[NH+](C)C)cc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000736110089 598268498 /nfs/dbraw/zinc/26/84/98/598268498.db2.gz FHHIWGMCPIKOMS-HNNXBMFYSA-N 1 0 393.495 2.831 20 0 GFADRO c1cc(C[NH2+][C@@H]2CCN(C3CC3)C2)cc(OCc2cccc(-c3nn[nH]n3)c2)c1 ZINC000738409416 598286505 /nfs/dbraw/zinc/28/65/05/598286505.db2.gz AUKKLUVABHPVSE-LJQANCHMSA-N 1 0 390.491 2.772 20 0 GFADRO O=C(CC[N@@H+]1CCCO[C@@H](c2ccccc2)C1)Nc1cccc(-c2nn[nH]n2)c1 ZINC000737844436 598311910 /nfs/dbraw/zinc/31/19/10/598311910.db2.gz UIGDJAZOZCLSSE-LJQANCHMSA-N 1 0 392.463 2.659 20 0 GFADRO Cn1cc([C@H](c2cccc(F)c2)[N@H+](C)Cc2ccccc2-c2nn[nH]n2)cn1 ZINC000736827382 598312811 /nfs/dbraw/zinc/31/28/11/598312811.db2.gz CFSRYYLIMOEVBI-IBGZPJMESA-N 1 0 377.427 2.961 20 0 GFADRO COc1ccc(Cl)cc1N1CC[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC000737098333 598356468 /nfs/dbraw/zinc/35/64/68/598356468.db2.gz BPAAHAYOXMIGQG-INIZCTEOSA-N 1 0 384.871 2.897 20 0 GFADRO Cc1cnn(CC2CC[NH+](CCCOc3ccc(-c4nn[nH]n4)cc3)CC2)c1 ZINC000737445714 598368189 /nfs/dbraw/zinc/36/81/89/598368189.db2.gz TZRCNFWWXFBFSN-UHFFFAOYSA-N 1 0 381.484 2.553 20 0 GFADRO Cc1nn(C)c(Cl)c1[C@@H]1CCC[N@@H+]1CCOc1ccccc1-c1nn[nH]n1 ZINC000737510307 598368425 /nfs/dbraw/zinc/36/84/25/598368425.db2.gz CPHFNNIDXCFWTQ-AWEZNQCLSA-N 1 0 387.875 2.778 20 0 GFADRO COc1ccc(C[N@@H+]2CCCN(c3ncc(-c4nn[nH]n4)cc3Cl)CC2)cc1 ZINC000737091283 598388096 /nfs/dbraw/zinc/38/80/96/598388096.db2.gz SGAZFMAHECNNKV-UHFFFAOYSA-N 1 0 399.886 2.636 20 0 GFADRO CC(C)(C)OC(=O)N1CCC(CC[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000735627087 598465194 /nfs/dbraw/zinc/46/51/94/598465194.db2.gz MOCLOUBPQJJMHF-UHFFFAOYSA-N 1 0 386.500 2.994 20 0 GFADRO O=C(C[NH2+]C1(c2ccc(F)cc2)CCCC1)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000737891459 598487369 /nfs/dbraw/zinc/48/73/69/598487369.db2.gz MIFWKFABBJKMHA-UHFFFAOYSA-N 1 0 394.454 2.681 20 0 GFADRO CC(C)C[C@H](O)C[NH2+]Cc1cccc(OCc2ccccc2-c2nn[nH]n2)c1 ZINC000735799940 598561390 /nfs/dbraw/zinc/56/13/90/598561390.db2.gz RZCLCOPSUQRDEW-SFHVURJKSA-N 1 0 381.480 2.942 20 0 GFADRO CC(=O)N1CCCCC[C@H]1C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000735466233 598567878 /nfs/dbraw/zinc/56/78/78/598567878.db2.gz SFDJLQYJELGICZ-FQEVSTJZSA-N 1 0 382.512 2.870 20 0 GFADRO Cc1ccc([C@H](CNC(=O)Nc2ccc(F)c(-c3nn[nH]n3)c2)[NH+]2CCCC2)o1 ZINC000737319071 598626200 /nfs/dbraw/zinc/62/62/00/598626200.db2.gz CMHWXTJZGTVMNN-INIZCTEOSA-N 1 0 399.430 2.866 20 0 GFADRO C[NH+](C)C1(CNC(=O)CSc2ccc(-c3nn[nH]n3)cc2)CCCCCC1 ZINC000736757369 598663551 /nfs/dbraw/zinc/66/35/51/598663551.db2.gz RKEIUTRSKASLHZ-UHFFFAOYSA-N 1 0 388.541 2.730 20 0 GFADRO CC(C)[N@H+](C)CC1CCN(C(=O)CSc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000735856943 598667493 /nfs/dbraw/zinc/66/74/93/598667493.db2.gz MJOFGDPJYPGVNE-UHFFFAOYSA-N 1 0 388.541 2.538 20 0 GFADRO O=C(Nc1ccc(F)cc1)C1CC[NH+](Cc2ccc(F)cc2-c2nn[nH]n2)CC1 ZINC000738165679 598684698 /nfs/dbraw/zinc/68/46/98/598684698.db2.gz LKQZPIPCOOVTCU-UHFFFAOYSA-N 1 0 398.417 2.996 20 0 GFADRO COc1ccc(-c2nn[nH]n2)cc1NC(=O)NCCCCC[NH+]1CCCCC1 ZINC000737063658 598729425 /nfs/dbraw/zinc/72/94/25/598729425.db2.gz RGPKFIKFQSEJAM-UHFFFAOYSA-N 1 0 387.488 2.653 20 0 GFADRO C[C@@](O)(C[NH2+]Cc1cccc(OCc2ccccc2-c2nn[nH]n2)c1)C1CC1 ZINC000736144020 598757198 /nfs/dbraw/zinc/75/71/98/598757198.db2.gz XFXNVVAAAXWIEZ-OAQYLSRUSA-N 1 0 379.464 2.696 20 0 GFADRO C[NH+]1CCC(N(C(=O)Cc2ccc(-c3nn[nH]n3)cc2)c2ccccc2)CC1 ZINC000736852607 598763682 /nfs/dbraw/zinc/76/36/82/598763682.db2.gz RQRVJMAZZTWIMQ-UHFFFAOYSA-N 1 0 376.464 2.537 20 0 GFADRO CC(C)[C@@](C)(O)C[NH2+]Cc1cccc(OCc2cccc(-c3nn[nH]n3)c2)c1 ZINC000735696363 598776261 /nfs/dbraw/zinc/77/62/61/598776261.db2.gz YNOWTVPIDBSCHQ-NRFANRHFSA-N 1 0 381.480 2.942 20 0 GFADRO CCOc1ccc([C@H](C)[NH2+]CCC(=O)Nc2cccc(-c3nn[nH]n3)c2)cc1 ZINC000821416961 599301872 /nfs/dbraw/zinc/30/18/72/599301872.db2.gz GGVVMVHEZFMBPE-AWEZNQCLSA-N 1 0 380.452 2.945 20 0 GFADRO C[C@@H](c1ccc(-c2nn[nH]n2)cc1)[N@@H+]1CCCN(C(=O)c2ccccc2)CC1 ZINC000736195937 599309120 /nfs/dbraw/zinc/30/91/20/599309120.db2.gz HOEMDEKMNMORDM-INIZCTEOSA-N 1 0 376.464 2.776 20 0 GFADRO C[C@@H](c1ccc(-c2nn[nH]n2)cc1)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000736199235 599312047 /nfs/dbraw/zinc/31/20/47/599312047.db2.gz WQPDPYBWTVHXLU-AWEZNQCLSA-N 1 0 398.433 2.514 20 0 GFADRO COc1cc(F)ccc1N1CC[NH+]([C@@H](C)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000737054737 599322422 /nfs/dbraw/zinc/32/24/22/599322422.db2.gz UZOYBWNJOUAJJY-AWEZNQCLSA-N 1 0 382.443 2.898 20 0 GFADRO C[C@@H]([NH2+][C@@H](C)c1ccc(-c2nn[nH]n2)cc1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000820404645 599377040 /nfs/dbraw/zinc/37/70/40/599377040.db2.gz ZWFFPRWQHZHPSA-CSODHUTKSA-N 1 0 392.507 2.807 20 0 GFADRO C[C@H](CNC(=O)[C@H](C)[NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1)c1ccccc1 ZINC000820411860 599386197 /nfs/dbraw/zinc/38/61/97/599386197.db2.gz JYMXKLHOJIGIEM-PMPSAXMXSA-N 1 0 378.480 2.826 20 0 GFADRO CCO[C@@H]1C[C@H]([NH2+][C@H](C)C(=O)Nc2cccc(-c3nn[nH]n3)c2)C12CCCC2 ZINC000821360346 599386606 /nfs/dbraw/zinc/38/66/06/599386606.db2.gz QUHXSEHEPGWCIL-XOKHGSTOSA-N 1 0 384.484 2.521 20 0 GFADRO C[C@@H](NC(=O)[C@H](C)[NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1)c1ccc(F)cc1 ZINC000820412723 599388277 /nfs/dbraw/zinc/38/82/77/599388277.db2.gz MPSSZOIEMRGLJI-RDBSUJKOSA-N 1 0 382.443 2.922 20 0 GFADRO C[C@H]([NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1)C(=O)N1c2ccccc2C[C@@H]1C ZINC000820414531 599388610 /nfs/dbraw/zinc/38/86/10/599388610.db2.gz YWTYGKKSNPKBIK-KKUMJFAQSA-N 1 0 376.464 2.884 20 0 GFADRO COc1ccc([C@H](CNc2cccc(-c3nn[nH]n3)n2)[NH+]2CCCCC2)cc1 ZINC000737073615 599395626 /nfs/dbraw/zinc/39/56/26/599395626.db2.gz GBVGGUQSZKYXOB-SFHVURJKSA-N 1 0 379.468 2.909 20 0 GFADRO COc1ccc(C[NH2+]Cc2ccc(NC(=O)C(C)C)cc2)cc1-c1nn[nH]n1 ZINC000821818052 599399696 /nfs/dbraw/zinc/39/96/96/599399696.db2.gz JHRNXUCLMCDWLG-UHFFFAOYSA-N 1 0 380.452 2.760 20 0 GFADRO CC(C)[C@H](CNC(=O)N[C@H](C)c1cccc(-c2nn[nH]n2)c1)[NH+]1CCC(C)CC1 ZINC000820722939 599409455 /nfs/dbraw/zinc/40/94/55/599409455.db2.gz RVUGGBBTSSIDEC-APWZRJJASA-N 1 0 399.543 2.983 20 0 GFADRO COc1ccc(C[NH2+][C@@H](C)COc2ccc(F)cc2F)cc1-c1nn[nH]n1 ZINC000821804658 599414933 /nfs/dbraw/zinc/41/49/33/599414933.db2.gz OTHOABRYUZKEKI-NSHDSACASA-N 1 0 375.379 2.711 20 0 GFADRO C[C@@H](NC(=O)NC[C@@H](C1CCCCC1)[NH+](C)C)c1cccc(-c2nn[nH]n2)c1 ZINC000820359633 599442213 /nfs/dbraw/zinc/44/22/13/599442213.db2.gz UGZCFGWUSIUGPX-KDOFPFPSSA-N 1 0 385.516 2.737 20 0 GFADRO Cc1ccc(-c2n[nH]cc2C[NH2+]CCOc2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000822213865 599450961 /nfs/dbraw/zinc/45/09/61/599450961.db2.gz DQBQOAYJNIJUJJ-UHFFFAOYSA-N 1 0 375.436 2.734 20 0 GFADRO CCCOc1ccc2c(c1)CC[N@@H+](C[C@H](O)c1ccc(-c3nn[nH]n3)cc1)C2 ZINC000821133663 607380128 /nfs/dbraw/zinc/38/01/28/607380128.db2.gz CMKNYFATKCLLNY-FQEVSTJZSA-N 1 0 379.464 2.747 20 0 GFADRO CN1CC[N@H+](CCCNc2ccc(F)cc2-c2nn[nH]n2)[C@@H](c2ccccc2)C1 ZINC000821626984 599471839 /nfs/dbraw/zinc/47/18/39/599471839.db2.gz IBOFXOALDIFVCG-HXUWFJFHSA-N 1 0 395.486 2.797 20 0 GFADRO COc1ccc2cc(C[NH2+]Cc3cnc4ccc(-c5nn[nH]n5)cn34)ccc2c1 ZINC000737120657 599482785 /nfs/dbraw/zinc/48/27/85/599482785.db2.gz QJLOZGCCUHADOD-UHFFFAOYSA-N 1 0 385.431 2.966 20 0 GFADRO c1nc2ccc(-c3nn[nH]n3)cn2c1C[NH2+]Cc1ccc(Oc2ccccc2)nc1 ZINC000738432494 599489932 /nfs/dbraw/zinc/48/99/32/599489932.db2.gz GJKGBUWBFXJXTI-UHFFFAOYSA-N 1 0 398.430 2.992 20 0 GFADRO FC(F)(F)c1cc(-c2nn[nH]n2)ccc1NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000737628054 599527566 /nfs/dbraw/zinc/52/75/66/599527566.db2.gz VINNCISTKZCITC-LBPRGKRZSA-N 1 0 396.417 2.798 20 0 GFADRO O=C(c1cccc(Nc2ccc(-c3nn[nH]n3)cc2)c1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000738273827 599570631 /nfs/dbraw/zinc/57/06/31/599570631.db2.gz NRIHMPHOXNBBOI-LJQANCHMSA-N 1 0 389.463 2.531 20 0 GFADRO C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)Nc1ccc(Cl)c(-c2nn[nH]n2)n1 ZINC000820260298 599575413 /nfs/dbraw/zinc/57/54/13/599575413.db2.gz GYHXZPBCONVOMZ-AWEZNQCLSA-N 1 0 398.902 2.538 20 0 GFADRO Cc1cc(N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)n2c3ccccc3nc2c1-c1nn[nH]n1 ZINC000822205674 599578208 /nfs/dbraw/zinc/57/82/08/599578208.db2.gz DPFKYHJITFRTCV-GJZGRUSLSA-N 1 0 390.495 2.895 20 0 GFADRO CCc1nc(CN2CC[NH+]([C@H](C)c3ccc(-c4nn[nH]n4)cc3)CC2)cs1 ZINC000736703737 599581386 /nfs/dbraw/zinc/58/13/86/599581386.db2.gz GDJVOBGHCZTSKX-CQSZACIVSA-N 1 0 383.525 2.764 20 0 GFADRO C[C@@H]1C[C@@H](c2ccccc2F)[N@H+](C[C@@H](O)COc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000820668538 599585505 /nfs/dbraw/zinc/58/55/05/599585505.db2.gz UKVXMLFKLHQUBY-KKVAFCGZSA-N 1 0 397.454 2.829 20 0 GFADRO CCc1nsc(N2CCC[N@@H+]([C@H](C)c3ccc(-c4nn[nH]n4)cc3)CC2)n1 ZINC000821558813 599596356 /nfs/dbraw/zinc/59/63/56/599596356.db2.gz FZVNJNGTGKFIQL-CYBMUJFWSA-N 1 0 384.513 2.554 20 0 GFADRO CN(C)c1cccc([C@H]2CCC[N@@H+]2CC(=O)Nc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000821589204 599639574 /nfs/dbraw/zinc/63/95/74/599639574.db2.gz CBOXEOSXQPJQDM-LJQANCHMSA-N 1 0 391.479 2.708 20 0 GFADRO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@@H+](C)C2CCC2)c1-c1nn[nH]n1 ZINC000822014863 599641532 /nfs/dbraw/zinc/64/15/32/599641532.db2.gz AJHPZDHGYKVATB-UHFFFAOYSA-N 1 0 393.495 2.756 20 0 GFADRO CC[NH+](CC)[C@H](CNC(=O)NCc1cc(-c2nn[nH]n2)ccc1F)CC(C)C ZINC000821180818 599667038 /nfs/dbraw/zinc/66/70/38/599667038.db2.gz HOIPJFBJUMUSAX-INIZCTEOSA-N 1 0 391.495 2.562 20 0 GFADRO Clc1cccc(-c2nn[nH]n2)c1N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000822581700 599689051 /nfs/dbraw/zinc/68/90/51/599689051.db2.gz KXSKYWHRDHAPHK-UHFFFAOYSA-N 1 0 376.892 2.601 20 0 GFADRO Cc1cc(C)n2c(C[NH2+]CCSCc3ccccc3-c3nn[nH]n3)cnc2n1 ZINC000822198587 607388861 /nfs/dbraw/zinc/38/88/61/607388861.db2.gz BCECNRYZCVDEAR-UHFFFAOYSA-N 1 0 394.508 2.549 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)Nc1ccc(OC(C)C)c(-c2nn[nH]n2)c1 ZINC000821254841 607425058 /nfs/dbraw/zinc/42/50/58/607425058.db2.gz OURNLLIHXSRHJU-HNNXBMFYSA-N 1 0 387.488 2.602 20 0 GFADRO Cc1ccc(C(=O)N2CCC([NH2+]Cc3ccc(-c4nn[nH]n4)cc3F)CC2)cc1 ZINC000822226495 607479601 /nfs/dbraw/zinc/47/96/01/607479601.db2.gz VHZSPJOMGMJDSP-UHFFFAOYSA-N 1 0 394.454 2.709 20 0 GFADRO Fc1cc(-c2nn[nH]n2)ccc1CNC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000822741041 607479658 /nfs/dbraw/zinc/47/96/58/607479658.db2.gz QLECWWAMJZISOU-QGZVFWFLSA-N 1 0 380.471 2.660 20 0 GFADRO COc1cccc(N2CCC[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3F)C2)c1 ZINC000821872757 607482472 /nfs/dbraw/zinc/48/24/72/607482472.db2.gz PQQMJEDTVCOQTG-INIZCTEOSA-N 1 0 382.443 2.773 20 0 GFADRO COc1ccc(CN2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)cc1-c1nn[nH]n1 ZINC000826194216 607491060 /nfs/dbraw/zinc/49/10/60/607491060.db2.gz FPCWAITVDGXDDM-SFHVURJKSA-N 1 0 384.528 2.819 20 0 GFADRO O[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)c1cccc(Br)c1 ZINC000823682582 607489632 /nfs/dbraw/zinc/48/96/32/607489632.db2.gz RQDVLQKXBXSKPS-OAHLLOKOSA-N 1 0 392.232 2.592 20 0 GFADRO C[C@H](NC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)c1ccc(-c2nn[nH]n2)cc1 ZINC000820352556 607498227 /nfs/dbraw/zinc/49/82/27/607498227.db2.gz VWTWPVPUSAUSQS-FNHZYXHNSA-N 1 0 395.511 2.586 20 0 GFADRO CC[N@@H+](Cc1cc(-c2nn[nH]n2)ccc1OC)C[C@@H]1COc2ccccc2O1 ZINC000821222692 607504585 /nfs/dbraw/zinc/50/45/85/607504585.db2.gz XDGQLPBPHXLZHK-MRXNPFEDSA-N 1 0 381.436 2.537 20 0 GFADRO COc1ccc(-c2nn[nH]n2)cc1C[N@@H+]1CCCN(c2ccc(C)cc2)CC1 ZINC000826183789 607517841 /nfs/dbraw/zinc/51/78/41/607517841.db2.gz ZXUFXEVHMXBTKP-UHFFFAOYSA-N 1 0 378.480 2.896 20 0 GFADRO C[N@H+](CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1)C[C@H]1CCCN(C(=O)[O-])C1 ZINC000739664117 602706769 /nfs/dbraw/zinc/70/67/69/602706769.db2.gz HPGUKGVITDHFRO-TZIWHRDSSA-N 1 0 389.540 2.754 20 0 GFADRO Cc1cc(-c2nn[nH]n2)ccc1C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000826248540 607677269 /nfs/dbraw/zinc/67/72/69/607677269.db2.gz NAPSTVMCUCCHMZ-HNNXBMFYSA-N 1 0 396.520 2.879 20 0 GFADRO C[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)C[C@H](O)c1ccccc1Br ZINC000825958481 607687436 /nfs/dbraw/zinc/68/74/36/607687436.db2.gz YBDJAALCCGHEOG-INIZCTEOSA-N 1 0 388.269 2.795 20 0 GFADRO Cc1cc(-c2nn[nH]n2)ccc1C(=O)N(CC[NH+]1CCCC1)c1ccccc1 ZINC000826244077 607694702 /nfs/dbraw/zinc/69/47/02/607694702.db2.gz GFOFLOAVJVQGFN-UHFFFAOYSA-N 1 0 376.464 2.918 20 0 GFADRO C[N@H+](CCOc1ccc(-c2nn[nH]n2)cc1)[C@@H]1CCCN(c2ccccc2)C1 ZINC000821603565 606076091 /nfs/dbraw/zinc/07/60/91/606076091.db2.gz DUMGGKWYYKUJSD-LJQANCHMSA-N 1 0 378.480 2.846 20 0 GFADRO C[C@H](CCNC(=O)CCc1ccc(-c2nn[nH]n2)cc1)[N@H+](C)Cc1ccccc1 ZINC000820241065 606103679 /nfs/dbraw/zinc/10/36/79/606103679.db2.gz DEQBPNPYGKBDFJ-QGZVFWFLSA-N 1 0 392.507 2.826 20 0 GFADRO Cn1cccc1[C@H]1CCCC[N@@H+]1CCC(=O)Nc1sccc1-c1nn[nH]n1 ZINC000822694028 606113389 /nfs/dbraw/zinc/11/33/89/606113389.db2.gz RTRUVSLNPLJEAW-OAHLLOKOSA-N 1 0 385.497 2.823 20 0 GFADRO COc1ccc(-c2nn[nH]n2)cc1NC(=O)NCCC[NH+](C(C)C)C(C)C ZINC000821762327 606115503 /nfs/dbraw/zinc/11/55/03/606115503.db2.gz KFEXJTPIOBPBAG-UHFFFAOYSA-N 1 0 375.477 2.506 20 0 GFADRO O[C@H](C[C@@H]1CCC[N@@H+]1CCOc1cccc(-c2nn[nH]n2)c1)c1cccs1 ZINC000823673726 606187492 /nfs/dbraw/zinc/18/74/92/606187492.db2.gz MXDYDAIXZWRGQQ-DOTOQJQBSA-N 1 0 385.493 2.895 20 0 GFADRO CCN(C(=O)c1cc(-c2nn[nH]n2)cn1C)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000821154824 606281351 /nfs/dbraw/zinc/28/13/51/606281351.db2.gz SIPWCDGPUPFVFA-MAUKXSAKSA-N 1 0 393.495 2.503 20 0 GFADRO C[N@@H+]1CCCN(C(=O)c2ccc(Sc3ccccc3-c3nn[nH]n3)cc2)CC1 ZINC000821625587 606312670 /nfs/dbraw/zinc/31/26/70/606312670.db2.gz RHAIXQOODWGDIH-UHFFFAOYSA-N 1 0 394.504 2.796 20 0 GFADRO O=C1[C@H]([N@@H+]2CC[C@H](Cc3ccccc3)C2)CCN1c1sccc1-c1nn[nH]n1 ZINC000823504113 606331470 /nfs/dbraw/zinc/33/14/70/606331470.db2.gz MJJPFHNWVNFJBV-NVXWUHKLSA-N 1 0 394.504 2.598 20 0 GFADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000821255237 606343069 /nfs/dbraw/zinc/34/30/69/606343069.db2.gz WXQOMKFGGDAGSS-OLZOCXBDSA-N 1 0 375.864 2.611 20 0 GFADRO CC1(C)C[N@H+](C[C@@H](O)COc2ccc(-c3nn[nH]n3)cc2)[C@H]1c1ccccc1 ZINC000820601995 606378213 /nfs/dbraw/zinc/37/82/13/606378213.db2.gz XOTRNRVLMXSCHF-MJGOQNOKSA-N 1 0 379.464 2.690 20 0 GFADRO COc1ccc(C[NH2+]CCC2CCN(CC(F)(F)F)CC2)cc1-c1nn[nH]n1 ZINC000821813457 606426116 /nfs/dbraw/zinc/42/61/16/606426116.db2.gz HPZWERVGXRYFES-UHFFFAOYSA-N 1 0 398.433 2.629 20 0 GFADRO FC(F)Oc1cc(-c2nn[nH]n2)ccc1CN1CCC[C@H]1C[NH+]1CCCC1 ZINC000822731204 606489529 /nfs/dbraw/zinc/48/95/29/606489529.db2.gz AHCHOWCQZAWPAO-HNNXBMFYSA-N 1 0 378.427 2.528 20 0 GFADRO C[C@H](C(=O)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)C1CCCC1 ZINC000819853978 606521258 /nfs/dbraw/zinc/52/12/58/606521258.db2.gz AAQLVYLVLIQJSZ-INIZCTEOSA-N 1 0 382.512 2.727 20 0 GFADRO CC[NH+](CC)[C@H](CNC(=O)c1ccc(-c2nn[nH]n2)s1)c1ccsc1 ZINC000821180835 606526664 /nfs/dbraw/zinc/52/66/64/606526664.db2.gz HTEWPGJXTYXEJN-GFCCVEGCSA-N 1 0 376.511 2.803 20 0 GFADRO C[NH+](C)CCN(CCCc1ccccc1)C(=O)c1ccc(-c2nn[nH]n2)s1 ZINC000821586041 606536121 /nfs/dbraw/zinc/53/61/21/606536121.db2.gz GSCAPESGAIMVPW-UHFFFAOYSA-N 1 0 384.509 2.565 20 0 GFADRO O=C(NCC1CC[NH+](Cc2cccs2)CC1)c1cc(-c2nn[nH]n2)cs1 ZINC000823175299 606539449 /nfs/dbraw/zinc/53/94/49/606539449.db2.gz FFBWHPVPSMNBQV-UHFFFAOYSA-N 1 0 388.522 2.632 20 0 GFADRO O=C(NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1cc(-c2nn[nH]n2)cs1 ZINC000823175240 606539604 /nfs/dbraw/zinc/53/96/04/606539604.db2.gz CNLGLQWPYYLFTK-LBPRGKRZSA-N 1 0 388.522 2.632 20 0 GFADRO C[C@H]1C[C@H](NC(=O)c2cc(-c3nn[nH]n3)cs2)CC[N@@H+]1Cc1ccccc1 ZINC000820655228 606545790 /nfs/dbraw/zinc/54/57/90/606545790.db2.gz ACVHIQUKWIBFEB-XJKSGUPXSA-N 1 0 382.493 2.711 20 0 GFADRO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000821189911 606551314 /nfs/dbraw/zinc/55/13/14/606551314.db2.gz VXMVITAIPWBKQE-UHFFFAOYSA-N 1 0 398.433 2.532 20 0 GFADRO O=C(c1cc(-c2nn[nH]n2)cs1)N1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC000823466715 606556193 /nfs/dbraw/zinc/55/61/93/606556193.db2.gz OPGPUJXLYKPUAL-UHFFFAOYSA-N 1 0 394.504 2.591 20 0 GFADRO CC(C)CN(CC[NH+](C)C)C(=O)Nc1cc(-c2nn[nH]n2)ccc1OC(F)F ZINC000820087010 606641691 /nfs/dbraw/zinc/64/16/91/606641691.db2.gz JOBGBDMXNSCMFV-UHFFFAOYSA-N 1 0 397.430 2.520 20 0 GFADRO CC[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2cccc(Nc3ccc(-c4nn[nH]n4)cc3)c2)C1 ZINC000821242239 606694668 /nfs/dbraw/zinc/69/46/68/606694668.db2.gz QYRVKKYYZUJEJQ-KUHUBIRLSA-N 1 0 391.479 2.680 20 0 GFADRO CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cccc(Nc3ccc(-c4nn[nH]n4)cc3)c2)C1 ZINC000821242234 606694753 /nfs/dbraw/zinc/69/47/53/606694753.db2.gz QYRVKKYYZUJEJQ-AUUYWEPGSA-N 1 0 391.479 2.680 20 0 GFADRO C[N@H+](CCCc1[nH]nc(N)c1-c1nn[nH]n1)C1c2ccccc2-c2ccccc21 ZINC000821600483 606699888 /nfs/dbraw/zinc/69/98/88/606699888.db2.gz OHNMJZLVJQVMIV-UHFFFAOYSA-N 1 0 386.463 2.806 20 0 GFADRO O=C(CC[N@H+]1CC[C@H](c2ccc(F)cc2)C1)Nc1cccc(-c2nn[nH]n2)c1 ZINC000822964919 606715074 /nfs/dbraw/zinc/71/50/74/606715074.db2.gz SUZSVEKLBQINRC-INIZCTEOSA-N 1 0 380.427 2.824 20 0 GFADRO Fc1ccccc1[C@H]([NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1)C1CCCC1 ZINC000822792538 606734082 /nfs/dbraw/zinc/73/40/82/606734082.db2.gz ZYHGNCZPDQXYBD-SCLBCKFNSA-N 1 0 396.474 2.765 20 0 GFADRO C[C@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@@H+]1Cc1ccc(C(C)(C)C)cc1 ZINC000820804719 606778503 /nfs/dbraw/zinc/77/85/03/606778503.db2.gz YBQSRJLUKVJIOS-HNNXBMFYSA-N 1 0 392.511 2.665 20 0 GFADRO CN(C(=O)C=Cc1ccccc1-c1nn[nH]n1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000821569377 606812327 /nfs/dbraw/zinc/81/23/27/606812327.db2.gz IFWDIPYBAVZECC-YAINUAMHSA-N 1 0 388.475 2.613 20 0 GFADRO O[C@H](C[NH2+]Cc1cc(F)ccc1Br)c1ccc(-c2nn[nH]n2)cc1 ZINC000823682368 606856821 /nfs/dbraw/zinc/85/68/21/606856821.db2.gz PGCZHRLYTTZCTM-OAHLLOKOSA-N 1 0 392.232 2.592 20 0 GFADRO c1coc(C[N@H+](CCCOc2cccc(-c3nn[nH]n3)c2)C[C@@H]2CCCO2)c1 ZINC000823761994 606888695 /nfs/dbraw/zinc/88/86/95/606888695.db2.gz DDQLBJGKCRVJJO-IBGZPJMESA-N 1 0 383.452 2.910 20 0 GFADRO COc1cc(C[N@H+](C)C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)ccc1SC ZINC000821713458 606890213 /nfs/dbraw/zinc/89/02/13/606890213.db2.gz YYYPGGPLYUCXJQ-INIZCTEOSA-N 1 0 385.493 2.763 20 0 GFADRO O[C@H](C[N@@H+](Cc1cccc(F)c1)C[C@H]1CCCO1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823675719 606890582 /nfs/dbraw/zinc/89/05/82/606890582.db2.gz YZMZDBDARIJNIV-WOJBJXKFSA-N 1 0 397.454 2.720 20 0 GFADRO Cc1cc(C)n([C@@H]2CCC[N@H+](CCCOc3cccc(-c4nn[nH]n4)c3)C2)n1 ZINC000822197418 606895936 /nfs/dbraw/zinc/89/59/36/606895936.db2.gz APGIEQYCKWTIRC-GOSISDBHSA-N 1 0 381.484 2.786 20 0 GFADRO Cc1ccc(-c2nn[nH]n2)cc1NC(=O)N[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000822218005 606906625 /nfs/dbraw/zinc/90/66/25/606906625.db2.gz VLTDHCZDCYXCJQ-QAPCUYQASA-N 1 0 391.479 2.960 20 0 GFADRO FC(F)(F)c1ccc(N2CCN(c3cc[nH+]cc3)CC2)c(-c2nn[nH]n2)c1 ZINC000822723784 606918167 /nfs/dbraw/zinc/91/81/67/606918167.db2.gz OKTBXPDZZUWCSS-UHFFFAOYSA-N 1 0 375.358 2.607 20 0 GFADRO O[C@H](C[N@@H+]1CCC[C@@H](c2nc3ccccc3o2)C1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823681647 606919744 /nfs/dbraw/zinc/91/97/44/606919744.db2.gz IBAFCIXUGDWKQT-SJLPKXTDSA-N 1 0 390.447 2.921 20 0 GFADRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(CCCOc2cccc(-c3nn[nH]n3)c2)C1 ZINC000820686770 606924418 /nfs/dbraw/zinc/92/44/18/606924418.db2.gz ZWPDKKZWGWBVDG-ZHALLVOQSA-N 1 0 384.528 2.973 20 0 GFADRO O[C@@H](C[NH+]1CCC(c2c[nH]c3ncccc23)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823672152 606927209 /nfs/dbraw/zinc/92/72/09/606927209.db2.gz BMLXOJHUAKGAQR-IBGZPJMESA-N 1 0 389.463 2.656 20 0 GFADRO O=C(C[C@@H]1CCC[N@H+]1C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1)c1cccs1 ZINC000822946187 606930147 /nfs/dbraw/zinc/93/01/47/606930147.db2.gz WULPQESYTBZRRU-DOTOQJQBSA-N 1 0 383.477 2.699 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000820703951 606936190 /nfs/dbraw/zinc/93/61/90/606936190.db2.gz KPUKIPKGWUAURK-QGZVFWFLSA-N 1 0 396.539 2.912 20 0 GFADRO CC[C@H](C[NH+]1CCCC1)NC(=O)Nc1ccc(-c2nn[nH]n2)c(C(F)(F)F)c1 ZINC000820903392 606954517 /nfs/dbraw/zinc/95/45/17/606954517.db2.gz TWKJHFMWEVJXTM-LLVKDONJSA-N 1 0 397.405 2.881 20 0 GFADRO O=C(Nc1ccc(F)cc1)C1CC[NH+](Cc2ccc(F)c(-c3nn[nH]n3)c2)CC1 ZINC000823337111 606969104 /nfs/dbraw/zinc/96/91/04/606969104.db2.gz GZPYCGWIKYBEHM-UHFFFAOYSA-N 1 0 398.417 2.996 20 0 GFADRO C[C@H]1C[N@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000820759162 606973400 /nfs/dbraw/zinc/97/34/00/606973400.db2.gz IAAHFPMEZDVWAG-LRDDRELGSA-N 1 0 390.463 2.741 20 0 GFADRO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC000820384354 606983178 /nfs/dbraw/zinc/98/31/78/606983178.db2.gz CICLJUSZQYLRRY-PBHICJAKSA-N 1 0 386.500 2.992 20 0 GFADRO CC(C)(Oc1ccc(-c2nn[nH]n2)cc1)C(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000819991711 607040609 /nfs/dbraw/zinc/04/06/09/607040609.db2.gz LAHHOWKNKPITOM-UHFFFAOYSA-N 1 0 398.511 2.501 20 0 GFADRO O=C(Nc1ccccc1O)C1CC[NH+](Cc2cc(F)ccc2-c2nn[nH]n2)CC1 ZINC000823373185 607057102 /nfs/dbraw/zinc/05/71/02/607057102.db2.gz SKBNDRYQTFCFIR-UHFFFAOYSA-N 1 0 396.426 2.562 20 0 GFADRO COc1ccccc1NC(=O)C[C@@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC000821897092 607059345 /nfs/dbraw/zinc/05/93/45/607059345.db2.gz DETKKGDIZBSJDE-GFCCVEGCSA-N 1 0 384.415 2.521 20 0 GFADRO CC(C)(C)OC(=O)NCC1CC[NH+](Cc2cc(F)ccc2-c2nn[nH]n2)CC1 ZINC000819940209 607060165 /nfs/dbraw/zinc/06/01/65/607060165.db2.gz SHCFAPDKYANXTD-UHFFFAOYSA-N 1 0 390.463 2.743 20 0 GFADRO CC(C)(C)OC(=O)NC[C@H]1CCC[N@H+](Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC000819940035 607060272 /nfs/dbraw/zinc/06/02/72/607060272.db2.gz NVBIZJUYUVWSFV-CYBMUJFWSA-N 1 0 390.463 2.743 20 0 GFADRO Cc1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3cc(F)ccc3-c3nn[nH]n3)C2)nc1 ZINC000822242803 607068234 /nfs/dbraw/zinc/06/82/34/607068234.db2.gz YDQOMGAFKOEQBC-AWEZNQCLSA-N 1 0 395.442 2.560 20 0 GFADRO CC(C)c1cnc(CN(C)[C@@H]2CC[N@H+](Cc3cc(F)ccc3-c3nn[nH]n3)C2)o1 ZINC000820198189 607068966 /nfs/dbraw/zinc/06/89/66/607068966.db2.gz RZWKXOZYWNBQCU-MRXNPFEDSA-N 1 0 399.474 2.824 20 0 GFADRO CC(C)c1cnc(CN(C)[C@H]2CC[N@H+](Cc3cc(F)ccc3-c3nn[nH]n3)C2)o1 ZINC000820198187 607069274 /nfs/dbraw/zinc/06/92/74/607069274.db2.gz RZWKXOZYWNBQCU-INIZCTEOSA-N 1 0 399.474 2.824 20 0 GFADRO c1ccc2c(c1)COC21CC[NH+](CCOc2ccccc2-c2nn[nH]n2)CC1 ZINC000823802053 607126199 /nfs/dbraw/zinc/12/61/99/607126199.db2.gz GREFNLYJMRAIHL-UHFFFAOYSA-N 1 0 377.448 2.767 20 0 GFADRO CC[NH+](CC)CCN(Cc1cccs1)C(=O)c1sccc1-c1nn[nH]n1 ZINC000821188668 607131961 /nfs/dbraw/zinc/13/19/61/607131961.db2.gz BJQLHIBMSMMZHM-UHFFFAOYSA-N 1 0 390.538 2.974 20 0 GFADRO CSC[C@H]1CCC[N@@H+]1CCC(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000821962837 607149061 /nfs/dbraw/zinc/14/90/61/607149061.db2.gz XRAZVHZEMTVXJQ-GFCCVEGCSA-N 1 0 380.905 2.676 20 0 GFADRO CCc1cc(C(=O)N(CC[NH+](C)C)Cc2ccc(-c3nn[nH]n3)cc2)oc1CC ZINC000821470083 607191504 /nfs/dbraw/zinc/19/15/04/607191504.db2.gz LLUYYCLLNFTBPI-UHFFFAOYSA-N 1 0 396.495 2.789 20 0 GFADRO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)Nc1ccc(-c2nn[nH]n2)cc1Cl ZINC000820697913 607202326 /nfs/dbraw/zinc/20/23/26/607202326.db2.gz NVDXRDYRKINTQI-RYUDHWBXSA-N 1 0 377.880 2.905 20 0 GFADRO CCN(C(=O)C1CCN(c2cc[nH+]cc2C)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000825366479 607797961 /nfs/dbraw/zinc/79/79/61/607797961.db2.gz ABMPGPHEPSJRKL-UHFFFAOYSA-N 1 0 391.479 2.840 20 0 GFADRO CC(C)(C)[C@H]1CCCC[C@H]1[NH2+]CCS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000824079585 607829517 /nfs/dbraw/zinc/82/95/17/607829517.db2.gz PQFPOTWEPYGNFG-DLBZAZTESA-N 1 0 391.541 2.835 20 0 GFADRO CC(=O)c1ccc2c(c1)CC[N@@H+](CCOc1ccccc1-c1nn[nH]n1)CC2 ZINC000824030172 607925951 /nfs/dbraw/zinc/92/59/51/607925951.db2.gz YCIWYPNLXRIAHG-UHFFFAOYSA-N 1 0 377.448 2.549 20 0 GFADRO C[N@H+]1Cc2ccccc2[C@H](Nc2c(-c3nn[nH]n3)cnc3c(F)ccc(F)c32)C1 ZINC000826051116 607936620 /nfs/dbraw/zinc/93/66/20/607936620.db2.gz IUCRZHIKUHSQFW-MRXNPFEDSA-N 1 0 393.401 2.714 20 0 GFADRO C[C@H](CO)CCC[NH2+]Cc1cccc(OCc2cccc(-c3nn[nH]n3)c2)c1 ZINC000824436863 607977142 /nfs/dbraw/zinc/97/71/42/607977142.db2.gz WQOIJGPRRDTDJK-INIZCTEOSA-N 1 0 381.480 2.944 20 0 GFADRO Cc1cc(C[NH+](C)C)cc(NC(=O)[C@@H](C)Oc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000826266538 608000173 /nfs/dbraw/zinc/00/01/73/608000173.db2.gz RVHFWJTWUZHMDZ-CQSZACIVSA-N 1 0 380.452 2.643 20 0 GFADRO C[C@@H](c1ccc2ccccc2c1)[N@H+](C)CCCc1[nH]nc(N)c1-c1nn[nH]n1 ZINC000824763221 608035173 /nfs/dbraw/zinc/03/51/73/608035173.db2.gz LLOVGIGNVIUACB-ZDUSSCGKSA-N 1 0 376.468 2.951 20 0 GFADRO Cc1cc2c(ncnc2N(CC[NH+](C)C)Cc2ccc(-c3nn[nH]n3)cc2)s1 ZINC000826273313 608051459 /nfs/dbraw/zinc/05/14/59/608051459.db2.gz YILYTIWIKSQAQF-UHFFFAOYSA-N 1 0 394.508 2.748 20 0 GFADRO COc1ccc([C@@](C)(O)[C@H]2CCC[N@@H+]2Cc2cccc(-c3nn[nH]n3)c2)cc1 ZINC000826188384 608064544 /nfs/dbraw/zinc/06/45/44/608064544.db2.gz VSUMWPOIYFIPJF-TZIWHRDSSA-N 1 0 379.464 2.747 20 0 GFADRO COc1nc2ccccc2cc1C[NH2+]CCOc1ccc(-c2nn[nH]n2)cc1 ZINC000826221838 608122448 /nfs/dbraw/zinc/12/24/48/608122448.db2.gz XDYDLFOOGDNYBB-UHFFFAOYSA-N 1 0 376.420 2.592 20 0 GFADRO Cc1ccc([C@@H]2CC[N@@H+]([C@@H]3CCN(c4sccc4-c4nn[nH]n4)C3=O)C2)cc1 ZINC000826285801 608126727 /nfs/dbraw/zinc/12/67/27/608126727.db2.gz KGEPRIZRIDEHHZ-NVXWUHKLSA-N 1 0 394.504 2.831 20 0 GFADRO Fc1cccc(O[C@H]2CC[N@H+](CCCOc3ccc(-c4nn[nH]n4)cc3)C2)c1 ZINC000826377055 608128781 /nfs/dbraw/zinc/12/87/81/608128781.db2.gz CHJFEAWTSOXGRG-IBGZPJMESA-N 1 0 383.427 2.928 20 0 GFADRO O=C(N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12)c1cc(-c2nn[nH]n2)cs1 ZINC000826429735 608134796 /nfs/dbraw/zinc/13/47/96/608134796.db2.gz LRQBURRALFQHBB-HYVNUMGLSA-N 1 0 394.504 2.569 20 0 GFADRO O=C(N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)c1ccc(-c2nn[nH]n2)s1 ZINC000826430062 608134833 /nfs/dbraw/zinc/13/48/33/608134833.db2.gz SNUSWQVVJWPMCX-ARFHVFGLSA-N 1 0 394.504 2.569 20 0 GFADRO C[C@H]1C[C@@H](CC[NH2+]Cc2cn(C)nc2-c2ccc(-c3nn[nH]n3)cc2)CCO1 ZINC000824883705 608135706 /nfs/dbraw/zinc/13/57/06/608135706.db2.gz IUVYUVGUDYXIAD-GJZGRUSLSA-N 1 0 381.484 2.562 20 0 GFADRO CC[N@H+](CCc1ccccc1)[C@@H]1CCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000825424384 608153064 /nfs/dbraw/zinc/15/30/64/608153064.db2.gz DYEALCQCMKLARX-LJQANCHMSA-N 1 0 376.464 2.537 20 0 GFADRO CC[N@H+](Cc1ccc(OC)cc1)[C@@H](C)C(=O)Nc1ccccc1-c1nn[nH]n1 ZINC000825435319 608153358 /nfs/dbraw/zinc/15/33/58/608153358.db2.gz UCEFVMCELHHHMQ-AWEZNQCLSA-N 1 0 380.452 2.724 20 0 GFADRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)c1ccccc1-c1ccccc1-c1nn[nH]n1 ZINC000824860305 608202546 /nfs/dbraw/zinc/20/25/46/608202546.db2.gz TWJDLNWBOWIOPV-HUUCEWRRSA-N 1 0 376.464 2.698 20 0 GFADRO Cc1ccccc1NC(=O)C[C@@H](C)[NH2+]CCOc1ccc(-c2nn[nH]n2)cc1 ZINC000826307809 608282282 /nfs/dbraw/zinc/28/22/82/608282282.db2.gz XISBBJBRMHQXCC-OAHLLOKOSA-N 1 0 380.452 2.561 20 0 GFADRO C[C@H]1C[C@@H]([NH2+]CCOc2ccc(-c3nn[nH]n3)cc2)CCN1Cc1ccccc1 ZINC000824893851 608282720 /nfs/dbraw/zinc/28/27/20/608282720.db2.gz VSIHSZMDGBLCIZ-PXNSSMCTSA-N 1 0 392.507 2.888 20 0 GFADRO c1c2c(nc(N3CC[C@@H]4[C@@H](CCC[N@H+]4C4CC4)C3)c1-c1nn[nH]n1)CCCC2 ZINC000826512268 608299547 /nfs/dbraw/zinc/29/95/47/608299547.db2.gz VCMYLAXPFOHLHV-HNAYVOBHSA-N 1 0 379.512 2.594 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)Cc2c(-c3nn[nH]n3)c(C)nn2-c2ccccc2)[C@@H](C)C1 ZINC000825451841 608316936 /nfs/dbraw/zinc/31/69/36/608316936.db2.gz LFEFOSQCKIMOLP-MAUKXSAKSA-N 1 0 394.527 2.523 20 0 GFADRO Cc1nn(-c2ccccc2)c(C[N@@H+]2CCC[C@@H]([C@H]3CCOC3)C2)c1-c1nn[nH]n1 ZINC000826332466 608317690 /nfs/dbraw/zinc/31/76/90/608317690.db2.gz VJUSUYZNBISRJC-SJORKVTESA-N 1 0 393.495 2.609 20 0 GFADRO COc1cc(-c2nn[nH]n2)ccc1C[NH+]1CCC(CC(=O)NC2CCCC2)CC1 ZINC000826168167 608356108 /nfs/dbraw/zinc/35/61/08/608356108.db2.gz DTINCQKXUPYXOI-UHFFFAOYSA-N 1 0 398.511 2.536 20 0 GFADRO COc1cc(-c2nn[nH]n2)ccc1C[N@@H+]1CCC[C@@H](c2noc(C(C)C)n2)C1 ZINC000826168999 608357193 /nfs/dbraw/zinc/35/71/93/608357193.db2.gz DZFPMIYYHYDQTP-OAHLLOKOSA-N 1 0 383.456 2.761 20 0 GFADRO Cc1ccc([C@@H](C)[NH2+]CCS(=O)(=O)c2cccc(-c3nn[nH]n3)c2)cc1C ZINC000826283135 608443099 /nfs/dbraw/zinc/44/30/99/608443099.db2.gz LGNPLGUGDKDQPD-OAHLLOKOSA-N 1 0 385.493 2.608 20 0 GFADRO COc1cc(C)c([C@H](C)[NH2+]C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)cc1OC ZINC000826177915 608447702 /nfs/dbraw/zinc/44/77/02/608447702.db2.gz ARQNHGZKPVWSFW-GUYCJALGSA-N 1 0 383.452 2.577 20 0 GFADRO CC(C)CN(CC(F)(F)F)C(=O)C[NH2+][C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000824255659 608464545 /nfs/dbraw/zinc/46/45/45/608464545.db2.gz SHZNAWBXSYPQKB-LBPRGKRZSA-N 1 0 384.406 2.564 20 0 GFADRO C[C@@H]([NH2+]CCOc1cccc(-c2nn[nH]n2)c1)c1ccc(N2CCOC2=O)cc1 ZINC000824600000 608474593 /nfs/dbraw/zinc/47/45/93/608474593.db2.gz VPWIDWZMJYFPQH-CQSZACIVSA-N 1 0 394.435 2.553 20 0 GFADRO CSc1ccc(CN(C)C(=O)C[NH2+][C@@H](C)c2cccc(-c3nn[nH]n3)c2)cc1 ZINC000826231152 608481556 /nfs/dbraw/zinc/48/15/56/608481556.db2.gz ZLZKCDWGONABGP-AWEZNQCLSA-N 1 0 396.520 2.898 20 0 GFADRO Cc1ccccc1C[C@H](C)NC(=O)C[NH2+][C@H](C)c1cccc(-c2nn[nH]n2)c1 ZINC000826307236 608482799 /nfs/dbraw/zinc/48/27/99/608482799.db2.gz ZPCZQTXGUIBEQL-JKSUJKDBSA-N 1 0 378.480 2.573 20 0 GFADRO Cc1ccc(CN(C(=O)C[NH2+][C@H](C)c2cccc(-c3nn[nH]n3)c2)C2CC2)o1 ZINC000826287384 608482803 /nfs/dbraw/zinc/48/28/03/608482803.db2.gz MQIYCPYEEOTNRZ-CQSZACIVSA-N 1 0 380.452 2.610 20 0 GFADRO Cc1ccccc1C[C@@H](C)NC(=O)C[NH2+][C@H](C)c1cccc(-c2nn[nH]n2)c1 ZINC000826307235 608482983 /nfs/dbraw/zinc/48/29/83/608482983.db2.gz ZPCZQTXGUIBEQL-HZPDHXFCSA-N 1 0 378.480 2.573 20 0 GFADRO O=C(NCCC[NH+]1CCCCC1)N1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826436739 608490598 /nfs/dbraw/zinc/49/05/98/608490598.db2.gz GOZVJTLTYZFQFD-UHFFFAOYSA-N 1 0 395.511 2.541 20 0 GFADRO CCc1ccc([C@@H](C)NC(=O)C[NH2+][C@H](C)c2cccc(-c3nn[nH]n3)c2)cc1 ZINC000825705174 608492873 /nfs/dbraw/zinc/49/28/73/608492873.db2.gz XYEKPLXAXTYPNU-HUUCEWRRSA-N 1 0 378.480 2.957 20 0 GFADRO CCCOc1cccc(CNC(=O)C[NH2+][C@H](C)c2cccc(-c3nn[nH]n3)c2)c1 ZINC000825341733 608494105 /nfs/dbraw/zinc/49/41/05/608494105.db2.gz JGNUNRUKXHVRIG-OAHLLOKOSA-N 1 0 394.479 2.623 20 0 GFADRO Cc1cccc(OC[C@@H](O)C[NH2+][C@@H]2CCCc3cc(-c4nn[nH]n4)ccc32)c1 ZINC000826300154 608504175 /nfs/dbraw/zinc/50/41/75/608504175.db2.gz KTKZYOUHWPNJSF-FXAWDEMLSA-N 1 0 379.464 2.582 20 0 GFADRO CCN(Cc1ccccc1)C(=O)C[NH2+][C@H]1CCCc2cc(-c3nn[nH]n3)ccc21 ZINC000825439544 608505364 /nfs/dbraw/zinc/50/53/64/608505364.db2.gz FAPRTLNSRLOXQW-FQEVSTJZSA-N 1 0 390.491 2.882 20 0 GFADRO c1cncc(-c2cccc(C[NH+]3CCN(c4cc(-c5nn[nH]n5)ccn4)CC3)c2)c1 ZINC000826525742 608512047 /nfs/dbraw/zinc/51/20/47/608512047.db2.gz XHZQRRHOUNNVSW-UHFFFAOYSA-N 1 0 398.474 2.646 20 0 GFADRO C[C@@H]([NH2+]CCOc1ccccc1-c1nn[nH]n1)c1ccccc1-n1cccn1 ZINC000824600389 608517218 /nfs/dbraw/zinc/51/72/18/608517218.db2.gz ZRVMIAJNGIXXII-OAHLLOKOSA-N 1 0 375.436 2.782 20 0 GFADRO CCOc1c(OC)cc(C[N@H+](C)Cc2cccc(-c3nn[nH]n3)c2)cc1OC ZINC000825603765 608523559 /nfs/dbraw/zinc/52/35/59/608523559.db2.gz BODHWEAVWVRHTE-UHFFFAOYSA-N 1 0 383.452 2.915 20 0 GFADRO COC(=O)COc1c(C)cc(C[N@H+](C)Cc2ccc(-c3nn[nH]n3)cc2)cc1C ZINC000826138486 608526910 /nfs/dbraw/zinc/52/69/10/608526910.db2.gz WTLQDQSKOGEAMP-UHFFFAOYSA-N 1 0 395.463 2.667 20 0 GFADRO C[C@@H]([NH2+]CCOc1cccc(-c2nn[nH]n2)c1)c1cccc(-n2cccn2)c1 ZINC000824598510 608527751 /nfs/dbraw/zinc/52/77/51/608527751.db2.gz FIFBIECYZAEJSA-OAHLLOKOSA-N 1 0 375.436 2.782 20 0 GFADRO COc1cccc(F)c1[C@H](C)[NH2+]CCC(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000826216622 608538260 /nfs/dbraw/zinc/53/82/60/608538260.db2.gz HLKYXSXPYKPUAQ-LBPRGKRZSA-N 1 0 384.415 2.694 20 0 GFADRO C[N@@H+]1CCCN(C(=O)Nc2ccc(Oc3ccc(-c4nn[nH]n4)cc3)cc2)CC1 ZINC000826034689 608549152 /nfs/dbraw/zinc/54/91/52/608549152.db2.gz WBWUWXXLORBXFG-UHFFFAOYSA-N 1 0 393.451 2.828 20 0 GFADRO O=C(C[NH2+][C@H](C[C@@H]1CCOC1)c1ccccc1)Nc1cccc(-c2nn[nH]n2)c1 ZINC000826412363 608550980 /nfs/dbraw/zinc/55/09/80/608550980.db2.gz LJCNGEIGWMNOKA-HNAYVOBHSA-N 1 0 392.463 2.563 20 0 GFADRO COC[C@H]([NH2+]CCOc1ccccc1-c1nn[nH]n1)c1ccc(F)c(F)c1 ZINC000826150460 608552211 /nfs/dbraw/zinc/55/22/11/608552211.db2.gz FDXIIGNVXMDVDE-INIZCTEOSA-N 1 0 375.379 2.501 20 0 GFADRO COc1cc(C[N@@H+]2CCCN(c3ccccc3-c3nn[nH]n3)CC2)cc(OC)c1 ZINC000826179487 608584864 /nfs/dbraw/zinc/58/48/64/608584864.db2.gz PYFFRGPBBVJKPY-UHFFFAOYSA-N 1 0 394.479 2.596 20 0 GFADRO C[NH+]1CCC2(CCCN2C(=O)Nc2ccc(-c3nn[nH]n3)cc2Cl)CC1 ZINC000826028916 608608818 /nfs/dbraw/zinc/60/88/18/608608818.db2.gz KQWSFFVMHGPYIH-UHFFFAOYSA-N 1 0 375.864 2.612 20 0 GFADRO COc1ccc(C2CC[NH+](Cc3cnc4ccc(-c5nn[nH]n5)cn34)CC2)cc1 ZINC000826190715 608695156 /nfs/dbraw/zinc/69/51/56/608695156.db2.gz KSKASXLWFLHWDS-UHFFFAOYSA-N 1 0 389.463 2.903 20 0 GFADRO COc1ccccc1[C@@H](CNc1cnccc1-c1nn[nH]n1)[NH+]1CCCCC1 ZINC000826219359 608777799 /nfs/dbraw/zinc/77/77/99/608777799.db2.gz ZNJWEQTVAJQEEH-GOSISDBHSA-N 1 0 379.468 2.909 20 0 GFADRO c1ncn(-c2ccc(C[N@H+]3CC=C(c4ccc(-c5nn[nH]n5)cc4)CC3)cc2)n1 ZINC000823867815 608855449 /nfs/dbraw/zinc/85/54/49/608855449.db2.gz JDLIJHVPZWXFRO-UHFFFAOYSA-N 1 0 384.447 2.737 20 0 GFADRO C[C@@H]([NH2+]CCCc1nnc2n1CCCCC2)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824593722 609139602 /nfs/dbraw/zinc/13/96/02/609139602.db2.gz SIWUJXBWGSMIMR-CYBMUJFWSA-N 1 0 384.463 2.607 20 0 GFADRO C[C@@H](Cc1ccc(F)cc1)[NH2+][C@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000824457370 609168723 /nfs/dbraw/zinc/16/87/23/609168723.db2.gz KNMUPYATYKYGND-LIRRHRJNSA-N 1 0 394.454 2.722 20 0 GFADRO C[C@@H](Cc1ccsc1)[NH2+][C@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000824466344 609168913 /nfs/dbraw/zinc/16/89/13/609168913.db2.gz WKKDEWKDOUUGPU-GUYCJALGSA-N 1 0 382.493 2.644 20 0 GFADRO C[C@@H](Cc1ccc(F)cc1)[NH2+][C@@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000824457368 609169052 /nfs/dbraw/zinc/16/90/52/609169052.db2.gz KNMUPYATYKYGND-IFXJQAMLSA-N 1 0 394.454 2.722 20 0 GFADRO O=C(NCc1ccccc1C[NH+]1CCCCCC1)c1c[nH]c(-c2nn[nH]n2)c1 ZINC000826443415 609213850 /nfs/dbraw/zinc/21/38/50/609213850.db2.gz OCHHZTLAAGZPOM-UHFFFAOYSA-N 1 0 379.468 2.501 20 0 GFADRO O=C(c1c[nH]c(-c2nn[nH]n2)c1)N(CC[NH+]1CCCC1)Cc1ccc(Cl)cc1 ZINC000826469243 609226036 /nfs/dbraw/zinc/22/60/36/609226036.db2.gz ZBHFJBNSHCITFT-UHFFFAOYSA-N 1 0 399.886 2.586 20 0 GFADRO C[NH+](C)CCN(Cc1ccccc1)C(=O)c1ccc(Cl)c(-c2nn[nH]n2)c1 ZINC000825866324 609298166 /nfs/dbraw/zinc/29/81/66/609298166.db2.gz VPEDLVAAEMDKEY-UHFFFAOYSA-N 1 0 384.871 2.724 20 0 GFADRO C[C@@H](NC(=O)N(C)Cc1cccc(-c2nn[nH]n2)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000824492055 609317769 /nfs/dbraw/zinc/31/77/69/609317769.db2.gz XETPNJRXMKLBDS-QAPCUYQASA-N 1 0 397.527 2.661 20 0 GFADRO COc1cccc([C@@H](C[NH2+][C@H](C)c2ccc(-c3nn[nH]n3)cc2F)N(C)C)c1 ZINC000826214682 609322416 /nfs/dbraw/zinc/32/24/16/609322416.db2.gz TWDVEHJPGKSWIF-BFUOFWGJSA-N 1 0 384.459 2.968 20 0 GFADRO C[C@@H]([NH2+][C@@H](C)c1ccc(-c2nn[nH]n2)cc1F)c1ccc(-n2cncn2)cc1 ZINC000824531672 609322788 /nfs/dbraw/zinc/32/27/88/609322788.db2.gz QBJZQJKEWKKKKO-OLZOCXBDSA-N 1 0 378.415 2.998 20 0 GFADRO Cc1cc(N2CCC([NH2+][C@H](C)c3ccc(-c4nn[nH]n4)cc3F)CC2)nc(C)n1 ZINC000826269421 609339329 /nfs/dbraw/zinc/33/93/29/609339329.db2.gz LJULHCUJTNXLOD-CYBMUJFWSA-N 1 0 396.474 2.732 20 0 GFADRO CCO[C@H]1C[C@H]([NH2+]Cc2cn(C)nc2-c2ccc(-c3nn[nH]n3)cc2)C12CCC2 ZINC000825583202 609339680 /nfs/dbraw/zinc/33/96/80/609339680.db2.gz RYFSBJDLJRLQPH-ROUUACIJSA-N 1 0 393.495 2.705 20 0 GFADRO COc1cccc([C@@H]2[C@@H]([NH2+]Cc3ccccc3-c3nn[nH]n3)CCN2C2CC2)c1 ZINC000826215783 609346582 /nfs/dbraw/zinc/34/65/82/609346582.db2.gz YTLGCJNZZGVCIA-LEWJYISDSA-N 1 0 390.491 2.943 20 0 GFADRO Cc1c(NC(=O)N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cccc1-c1nn[nH]n1 ZINC000826242047 609354615 /nfs/dbraw/zinc/35/46/15/609354615.db2.gz XUSYDFVPAYSQII-GJZGRUSLSA-N 1 0 383.500 2.950 20 0 GFADRO C[C@@H]1CN(C(=O)c2ccccc2Oc2ccccc2-c2nn[nH]n2)C[C@@H]1[NH+](C)C ZINC000824976277 609385975 /nfs/dbraw/zinc/38/59/75/609385975.db2.gz OBBFVTWFDVBNNE-PBHICJAKSA-N 1 0 392.463 2.681 20 0 GFADRO C[C@@H](C[NH2+][C@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O)c1ccccc1 ZINC000824427433 609412220 /nfs/dbraw/zinc/41/22/20/609412220.db2.gz NCWPADBTNPFRLV-KXBFYZLASA-N 1 0 376.464 2.755 20 0 GFADRO COc1ccc([C@H](C)[NH2+][C@@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)cc1 ZINC000826187992 609414789 /nfs/dbraw/zinc/41/47/89/609414789.db2.gz KISVMMGASIFTJU-IFXJQAMLSA-N 1 0 392.463 2.722 20 0 GFADRO O=C1[C@H]([NH2+]C2CC(c3ccccc3)C2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476268 609415465 /nfs/dbraw/zinc/41/54/65/609415465.db2.gz DSKFURDNKSZJNT-AFMYVXGZSA-N 1 0 388.475 2.898 20 0 GFADRO O=C1[C@@H]([NH2+]C2CC(c3ccccc3)C2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476269 609415892 /nfs/dbraw/zinc/41/58/92/609415892.db2.gz DSKFURDNKSZJNT-QLOJAFMTSA-N 1 0 388.475 2.898 20 0 GFADRO C[C@@H](C(=O)N(CC[NH+](C)C)Cc1ccc(-c2nn[nH]n2)cc1)c1ccccc1 ZINC000826231276 609490928 /nfs/dbraw/zinc/49/09/28/609490928.db2.gz DWFRNAVUTVWBEU-MRXNPFEDSA-N 1 0 378.480 2.561 20 0 GFADRO Cc1c(Cl)cnc(N2CC[NH+](CCc3ccccc3)CC2)c1-c1nn[nH]n1 ZINC000826237884 609526525 /nfs/dbraw/zinc/52/65/25/609526525.db2.gz ORAAWSUHXIQVSA-UHFFFAOYSA-N 1 0 383.887 2.588 20 0 GFADRO c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H](Nc4ncccc4-c4nn[nH]n4)[C@H]3C2)cc1 ZINC000826521462 609595497 /nfs/dbraw/zinc/59/54/97/609595497.db2.gz NBUZEHHTAUVICM-WDSOQIARSA-N 1 0 375.480 2.974 20 0 GFADRO Brc1ccnc(NCCCC[NH+]2CCN(c3ncccn3)CC2)c1 ZINC000480015359 650614729 /nfs/dbraw/zinc/61/47/29/650614729.db2.gz MPGIYYCHTWDBSF-UHFFFAOYSA-N 1 0 391.317 2.648 20 0 GFADRO C[NH+]1CCN(Cc2ccc(CNc3ncncc3Br)cc2)CC1 ZINC000481702644 650651567 /nfs/dbraw/zinc/65/15/67/650651567.db2.gz PJAJLLUGRMHKSM-UHFFFAOYSA-N 1 0 376.302 2.599 20 0 GFADRO C[C@H](C[N@@H+]1C[C@H](CNC(=O)OC(C)(C)C)[C@@H](C)C[C@H]1C)CS(C)(=O)=O ZINC000817294122 660189236 /nfs/dbraw/zinc/18/92/36/660189236.db2.gz TVHABGKUGMOZPW-QXSJWSMHSA-N 1 0 376.563 2.538 20 0 GFADRO C[NH+](C)C1CCC(NC(=O)COc2ccc(C=O)cc2Br)CC1 ZINC000817658617 660204725 /nfs/dbraw/zinc/20/47/25/660204725.db2.gz GJTKMSALDBCZNN-UHFFFAOYSA-N 1 0 383.286 2.629 20 0 GFADRO CC(C)(CC[NH3+])NC(=O)Nc1cnc(Br)c(Br)c1 ZINC000817868128 660211317 /nfs/dbraw/zinc/21/13/17/660211317.db2.gz PDXWYGNXISEVGG-UHFFFAOYSA-N 1 0 380.084 2.856 20 0 GFADRO CC(C)(C)NS(=O)(=O)c1cc(C(=O)N[C@H](C[NH3+])C(C)(C)C)ccc1Cl ZINC000818002772 660213158 /nfs/dbraw/zinc/21/31/58/660213158.db2.gz FVBUNVSGHDXWEJ-CQSZACIVSA-N 1 0 389.949 2.520 20 0 GFADRO CS(=O)(=O)c1cc(C(=O)Nc2ncc(C3CC[NH2+]CC3)s2)ccc1Cl ZINC000818004192 660213192 /nfs/dbraw/zinc/21/31/92/660213192.db2.gz HPQMCJCNNOJIIH-UHFFFAOYSA-N 1 0 399.925 2.919 20 0 GFADRO O=C([C@@H]1CCN(c2cc(Cl)ccc2Cl)C1=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000818016879 660213939 /nfs/dbraw/zinc/21/39/39/660213939.db2.gz QKPKLLIPBCJMCU-UGSOOPFHSA-N 1 0 382.291 2.701 20 0 GFADRO O=C1N[C@]2(CC[N@H+](Cc3ccccc3)C2)C(=O)N1CC[C@@H]1CC1(Cl)Cl ZINC000818082554 660215815 /nfs/dbraw/zinc/21/58/15/660215815.db2.gz NDZJLSKPTWWAOO-PBHICJAKSA-N 1 0 382.291 2.767 20 0 GFADRO C[N@@H+]1CCC[C@]2(CCN(C(=O)c3cn(C(C)(C)C)nc3Br)C2)C1 ZINC000818177300 660218717 /nfs/dbraw/zinc/21/87/17/660218717.db2.gz MOWIKONQFYSECG-KRWDZBQOSA-N 1 0 383.334 2.959 20 0 GFADRO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000818572777 660228729 /nfs/dbraw/zinc/22/87/29/660228729.db2.gz LDORBHHCIIQNDX-GOSISDBHSA-N 1 0 393.281 2.983 20 0 GFADRO COCC1(CNC(=O)Cc2ccc(Cl)cc2Br)CC[NH2+]CC1 ZINC000818591524 660229438 /nfs/dbraw/zinc/22/94/38/660229438.db2.gz RWVFJJUOEQZCDA-UHFFFAOYSA-N 1 0 389.721 2.777 20 0 GFADRO C[C@H]1CC2(CN1S(=O)(=O)c1cc3c(cc1Cl)CCC3=O)CC[NH2+]CC2 ZINC000818429619 660225750 /nfs/dbraw/zinc/22/57/50/660225750.db2.gz YDDIEXALANBFQW-LBPRGKRZSA-N 1 0 382.913 2.622 20 0 GFADRO CC[C@@H](C)NC(=O)CC[NH2+]C[C@](C)(O)c1ccc(Br)cc1F ZINC000818966054 660238818 /nfs/dbraw/zinc/23/88/18/660238818.db2.gz YLKADVZPAJAYQP-BZNIZROVSA-N 1 0 375.282 2.690 20 0 GFADRO Cc1ccc(C(=O)NCC[NH2+]C[C@H](O)c2ccccc2Br)cc1F ZINC000818947080 660236796 /nfs/dbraw/zinc/23/67/96/660236796.db2.gz CNDYWXUVQPAJQV-KRWDZBQOSA-N 1 0 395.272 2.950 20 0 GFADRO COCCOc1ccc(C[NH2+]C[C@@H](O)c2ccc(Br)cc2)cn1 ZINC000818962100 660238239 /nfs/dbraw/zinc/23/82/39/660238239.db2.gz YJOQISXJBOSYCN-MRXNPFEDSA-N 1 0 381.270 2.693 20 0 GFADRO CCN(CC)C(=O)CCC[NH2+]C[C@H](O)c1ccc(F)c(Br)c1 ZINC000818957463 660238419 /nfs/dbraw/zinc/23/84/19/660238419.db2.gz SFEVXZWYWPZALO-HNNXBMFYSA-N 1 0 375.282 2.860 20 0 GFADRO O=C1C[C@@H]([NH2+]C[C@@H](O)c2cccc(Br)c2)CN1c1ccccc1 ZINC000818979986 660240913 /nfs/dbraw/zinc/24/09/13/660240913.db2.gz YMBNSCXMSDKHHT-NVXWUHKLSA-N 1 0 375.266 2.878 20 0 GFADRO O=C1[C@H]([NH2+]C[C@@H](O)c2ccc(Br)cc2)CCN1Cc1ccccc1 ZINC000818984083 660241176 /nfs/dbraw/zinc/24/11/76/660241176.db2.gz WBOHEBWBUYMLSL-QZTJIDSGSA-N 1 0 389.293 2.873 20 0 GFADRO COCCN1CC[C@H]([NH2+]C[C@@](C)(O)c2ccc(Br)cc2Cl)C1 ZINC000819039718 660244104 /nfs/dbraw/zinc/24/41/04/660244104.db2.gz SCHNFTPAIAFUML-XJKSGUPXSA-N 1 0 391.737 2.620 20 0 GFADRO Cc1cc(Br)cn2cc(C[NH2+]C[C@H](O)c3ccc(F)cn3)nc12 ZINC000819229249 660250908 /nfs/dbraw/zinc/25/09/08/660250908.db2.gz LPJSNTUPBFPDAJ-HNNXBMFYSA-N 1 0 379.233 2.763 20 0 GFADRO CNC(=O)c1cccc(CC[NH2+]C[C@@H](O)c2ccc(Br)cc2)c1 ZINC000819094775 660246387 /nfs/dbraw/zinc/24/63/87/660246387.db2.gz LXJMQVDODPGQKP-QGZVFWFLSA-N 1 0 377.282 2.674 20 0 GFADRO COCCOC[C@H](C)[NH2+]C[C@@](C)(O)c1ccc(Br)cc1Cl ZINC000819103222 660246612 /nfs/dbraw/zinc/24/66/12/660246612.db2.gz FEZWUKPHLOTNJQ-XHDPSFHLSA-N 1 0 380.710 2.951 20 0 GFADRO CS(=O)(=O)Cc1ccccc1C[NH2+]C[C@H](O)c1ccccc1Br ZINC000819133913 660247593 /nfs/dbraw/zinc/24/75/93/660247593.db2.gz CJJNPXGAAOTZGU-KRWDZBQOSA-N 1 0 398.322 2.817 20 0 GFADRO O=S(=O)(CC[NH2+]C[C@H](O)c1ccc(Cl)c(F)c1)c1ccc(F)cc1 ZINC000819174533 660248828 /nfs/dbraw/zinc/24/88/28/660248828.db2.gz VIHWAVRFCAUHRP-INIZCTEOSA-N 1 0 375.824 2.715 20 0 GFADRO CCNC(=O)C(C)(C)C[NH2+]C[C@](C)(O)c1ccc(Br)cc1F ZINC000819181957 660249127 /nfs/dbraw/zinc/24/91/27/660249127.db2.gz FFNVIEJHWRFBDR-INIZCTEOSA-N 1 0 375.282 2.548 20 0 GFADRO CCOC(=O)C[C@@H](C)C[NH2+]C[C@](C)(O)c1ccc(Br)cc1F ZINC000819192922 660249545 /nfs/dbraw/zinc/24/95/45/660249545.db2.gz ATFMKTKVCKIIHY-BZNIZROVSA-N 1 0 376.266 2.975 20 0 GFADRO CN(C)c1nccc(C[NH2+]C[C@@](C)(O)c2ccc(Br)cc2Cl)n1 ZINC000819210683 660250382 /nfs/dbraw/zinc/25/03/82/660250382.db2.gz XJLSRNZUAKPTST-MRXNPFEDSA-N 1 0 399.720 2.956 20 0 GFADRO Cc1cc(N2CCC[C@H]([NH2+]C[C@@H](O)c3cccc(Br)c3)C2)n(C)n1 ZINC000819266068 660252734 /nfs/dbraw/zinc/25/27/34/660252734.db2.gz LPCFFHFXJLRMGU-DLBZAZTESA-N 1 0 393.329 2.783 20 0 GFADRO CS(=O)(=O)c1ccc([C@H](O)C[NH2+][C@@H]2CCO[C@@H](c3cccs3)C2)cc1 ZINC000819352517 660256380 /nfs/dbraw/zinc/25/63/80/660256380.db2.gz OFXWENDDFOWUOT-DJIMGWMZSA-N 1 0 381.519 2.695 20 0 GFADRO CCOC(=O)c1csc(CC[NH2+]C[C@H](O)c2ccc(Br)cc2)n1 ZINC000819255448 660252103 /nfs/dbraw/zinc/25/21/03/660252103.db2.gz AJLZJHPAYAXZKC-AWEZNQCLSA-N 1 0 399.310 2.948 20 0 GFADRO Cc1cc(N2CCC([NH2+]C[C@@H](O)c3ccc(Br)cc3)CC2)n[nH]1 ZINC000819253169 660252155 /nfs/dbraw/zinc/25/21/55/660252155.db2.gz BVOQFLXKSPFSDT-MRXNPFEDSA-N 1 0 379.302 2.773 20 0 GFADRO C[C@](O)(C[NH2+][C@@H]1CCN(CC(F)F)C1)c1ccc(Br)cc1F ZINC000819376672 660257280 /nfs/dbraw/zinc/25/72/80/660257280.db2.gz FKDHAUDOQXBVDZ-ABAIWWIYSA-N 1 0 381.236 2.725 20 0 GFADRO C[C@@](O)(C[NH2+][C@H]1CCN(CC(F)F)C1)c1ccc(Br)cc1F ZINC000819376677 660257552 /nfs/dbraw/zinc/25/75/52/660257552.db2.gz FKDHAUDOQXBVDZ-XHDPSFHLSA-N 1 0 381.236 2.725 20 0 GFADRO C[C@H]1C[NH+](CCCNC(=O)c2c(Cl)nc3cc(Cl)ccn32)C[C@H](C)O1 ZINC000820217857 660285456 /nfs/dbraw/zinc/28/54/56/660285456.db2.gz VBZOYFNXHBWCFI-RYUDHWBXSA-N 1 0 385.295 2.870 20 0 GFADRO C[N@@H+]1CC[C@@]2(CCN(C(=O)c3cc4ccc(Br)cc4c(=O)o3)C2)C1 ZINC000820342812 660290043 /nfs/dbraw/zinc/29/00/43/660290043.db2.gz OBRKTAJFFNGJKP-GOSISDBHSA-N 1 0 391.265 2.723 20 0 GFADRO CC(C)c1ncc(Br)c(C(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)n1 ZINC000820609687 660299331 /nfs/dbraw/zinc/29/93/31/660299331.db2.gz RWDSRDQMGBJCJN-KRWDZBQOSA-N 1 0 381.318 2.920 20 0 GFADRO CC[C@@H]1CN(C)CCN1C(=O)c1cc2ccc(Br)cc2c(=O)o1 ZINC000820728006 660303838 /nfs/dbraw/zinc/30/38/38/660303838.db2.gz GTICWGLYRNBYIA-CYBMUJFWSA-N 1 0 379.254 2.722 20 0 GFADRO CCN(C(=O)C[C@@H]1C(=O)Nc2ccc(Br)cc21)C1CC[NH+](C)CC1 ZINC000821401394 660324754 /nfs/dbraw/zinc/32/47/54/660324754.db2.gz RWNIACRQJWTNPY-HNNXBMFYSA-N 1 0 394.313 2.818 20 0 GFADRO CCn1ncc(C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)c1Br ZINC000822566776 660348122 /nfs/dbraw/zinc/34/81/22/660348122.db2.gz YILGMFYCEUHJPP-OAHLLOKOSA-N 1 0 391.313 2.917 20 0 GFADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1cc(Cl)c(Br)cc1F ZINC000822879752 660356466 /nfs/dbraw/zinc/35/64/66/660356466.db2.gz WEDWYPSCRKJJCI-VHSXEESVSA-N 1 0 391.668 2.835 20 0 GFADRO C[C@H]1[NH2+]CC[C@@H]1c1nc(CS(=O)(=O)c2cc(Cl)ccc2Cl)no1 ZINC000822901260 660357366 /nfs/dbraw/zinc/35/73/66/660357366.db2.gz QHLGNZQLOVZILY-SCZZXKLOSA-N 1 0 376.265 2.816 20 0 GFADRO CCn1ncc(C(=O)N(C)CCC[N@H+](C)Cc2ccco2)c1Br ZINC000822908208 660357552 /nfs/dbraw/zinc/35/75/52/660357552.db2.gz KSFNTRFIAHHPNF-UHFFFAOYSA-N 1 0 383.290 2.853 20 0 GFADRO COc1cc(Br)c(Cc2noc([C@@H]3C[C@H]4C[C@H]4[NH2+]3)n2)cc1OC ZINC000822910306 660357683 /nfs/dbraw/zinc/35/76/83/660357683.db2.gz MTOHYWXZPQIBBK-JLLWLGSASA-N 1 0 380.242 2.863 20 0 GFADRO CCOc1ccc(Br)cc1-c1noc([C@]2(COC)CC[NH2+]C2)n1 ZINC000822941179 660358570 /nfs/dbraw/zinc/35/85/70/660358570.db2.gz AAQQJDKJHQXCEY-MRXNPFEDSA-N 1 0 382.258 2.775 20 0 GFADRO CC[NH+]1CCC(n2nccc2NC(=O)c2sc(N(C)C)nc2Cl)CC1 ZINC000823024569 660359974 /nfs/dbraw/zinc/35/99/74/660359974.db2.gz FYGIDICJMBWLAV-UHFFFAOYSA-N 1 0 382.921 2.968 20 0 GFADRO CC(C)[C@H]([NH2+]Cc1ccc(S(=O)(=O)N(C)C)s1)[C@H](O)c1ccccc1 ZINC000823109823 660362232 /nfs/dbraw/zinc/36/22/32/660362232.db2.gz DUUFZHPLLTZJLH-ZWKOTPCHSA-N 1 0 382.551 2.846 20 0 GFADRO CC[N@H+](Cc1ccc(S(=O)(=O)N(C)C)s1)[C@H](C)[C@@H](O)c1ccccc1 ZINC000823163336 660363495 /nfs/dbraw/zinc/36/34/95/660363495.db2.gz HPVGBMSKFAFISF-RDTXWAMCSA-N 1 0 382.551 2.942 20 0 GFADRO CC(C)[N@H+](CCS(C)(=O)=O)C[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000823470734 660373107 /nfs/dbraw/zinc/37/31/07/660373107.db2.gz MWBZQGBJKLFQDY-HOTGVXAUSA-N 1 0 376.563 2.777 20 0 GFADRO CCN(CC)S(=O)(=O)c1ccc(CC[NH2+]Cc2cc(F)ncc2F)s1 ZINC000823801648 660380201 /nfs/dbraw/zinc/38/02/01/660380201.db2.gz MEYPGBKSQCJSMU-UHFFFAOYSA-N 1 0 389.493 2.784 20 0 GFADRO C[C@@H]1C[C@@H](C[NH2+]C(C)(C)CCS(C)(=O)=O)CCN1C(=O)OC(C)(C)C ZINC000823949566 660383224 /nfs/dbraw/zinc/38/32/24/660383224.db2.gz MANPXQOPZZMSPW-CABCVRRESA-N 1 0 376.563 2.825 20 0 GFADRO C[N@@H+](Cc1csc(Br)c1)C[C@@H](O)CNC(=O)OC(C)(C)C ZINC000824565662 660397205 /nfs/dbraw/zinc/39/72/05/660397205.db2.gz ZUENAPIIMGSRMC-NSHDSACASA-N 1 0 379.320 2.828 20 0 GFADRO Cn1nc(C(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)cc1Br ZINC000824615680 660398039 /nfs/dbraw/zinc/39/80/39/660398039.db2.gz KLUATKHRCQLLQK-HNNXBMFYSA-N 1 0 377.286 2.750 20 0 GFADRO Cn1nc(C(=O)NCC(C)(C)[N@@H+]2CCc3ccccc3C2)cc1Br ZINC000824732956 660400177 /nfs/dbraw/zinc/40/01/77/660400177.db2.gz BPBNELRNQDYIMM-UHFFFAOYSA-N 1 0 391.313 2.749 20 0 GFADRO C[C@H](COc1ccc(Cl)c(Cl)c1)[NH2+]CCS(=O)(=O)C1CCOCC1 ZINC000824903934 660404700 /nfs/dbraw/zinc/40/47/00/660404700.db2.gz QHUVDZQKZMRERI-GFCCVEGCSA-N 1 0 396.336 2.944 20 0 GFADRO C[NH+]1CCC(CCNC(=O)[C@]2(C)CC2(Br)Br)CC1 ZINC000825084840 660410086 /nfs/dbraw/zinc/41/00/86/660410086.db2.gz RSJFDKQMTOEMNK-LBPRGKRZSA-N 1 0 382.140 2.731 20 0 GFADRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)CC[C@H]2CC2(Cl)Cl)CC1 ZINC000824998471 660407360 /nfs/dbraw/zinc/40/73/60/660407360.db2.gz QYDJLRUVVBXKEU-XHSDSOJGSA-N 1 0 376.372 2.977 20 0 GFADRO CC(C)(Sc1ccc(Br)cc1)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000825188352 660414190 /nfs/dbraw/zinc/41/41/90/660414190.db2.gz JNDMDYHKXDKLQJ-CYBMUJFWSA-N 1 0 387.343 2.815 20 0 GFADRO Cn1c(C(=O)NC[C@H]2C[NH2+]CCCO2)ccc1-c1ccc(Br)cc1 ZINC000825189118 660414260 /nfs/dbraw/zinc/41/42/60/660414260.db2.gz XMGRBTIFMWXHFC-OAHLLOKOSA-N 1 0 392.297 2.563 20 0 GFADRO COC(=O)c1cc(C[N@H+](C)C[C@H](O)c2ccccc2Br)cn1C ZINC000825306051 660419711 /nfs/dbraw/zinc/41/97/11/660419711.db2.gz YZBPBRKTRVCRAU-INIZCTEOSA-N 1 0 381.270 2.740 20 0 GFADRO C[NH+](C)[C@H]1C[C@H](NC(=O)c2nc(C3CC3)ncc2Br)C12CCC2 ZINC000825519168 660431709 /nfs/dbraw/zinc/43/17/09/660431709.db2.gz ISDBRJOTQYZXTO-STQMWFEESA-N 1 0 379.302 2.719 20 0 GFADRO CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)CCn1cc(Br)cn1 ZINC000825676294 660437478 /nfs/dbraw/zinc/43/74/78/660437478.db2.gz XCGSEXNWPRRSAC-UHFFFAOYSA-N 1 0 379.302 2.756 20 0 GFADRO C[NH+](C)CCNC(=O)c1cccc(CNC(=O)CC[C@H]2CC2(Cl)Cl)c1 ZINC000825634180 660435576 /nfs/dbraw/zinc/43/55/76/660435576.db2.gz JKKCEAVGSXFOFU-HNNXBMFYSA-N 1 0 386.323 2.568 20 0 GFADRO O=C(C/C=C/c1ccc(Br)cc1)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000826570179 660457531 /nfs/dbraw/zinc/45/75/31/660457531.db2.gz NNUODYOODLCCKI-KROLTMCQSA-N 1 0 393.325 2.910 20 0 GFADRO C[C@@H](CCNC(=O)c1cc(Br)n(C)n1)[N@H+](C)Cc1ccccc1 ZINC000826581674 660458262 /nfs/dbraw/zinc/45/82/62/660458262.db2.gz YETWQIUWBFTCQR-ZDUSSCGKSA-N 1 0 379.302 2.823 20 0 GFADRO CN1Cc2ccccc2[C@@H]1CNC(=O)c1csc(I)n1 ZINC000826688139 660461366 /nfs/dbraw/zinc/46/13/66/660461366.db2.gz CNPNTHVCSPIWJJ-LBPRGKRZSA-N 1 0 399.257 2.664 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc4cncc(Br)c4n3)CC[C@@H]21 ZINC000827219386 660485068 /nfs/dbraw/zinc/48/50/68/660485068.db2.gz NXHSFOOVHFVZDV-DOMZBBRYSA-N 1 0 375.270 2.559 20 0 GFADRO C[N@@H+]1CC[C@H]2CN(C(=O)c3cc(F)ccc3I)CC[C@H]21 ZINC000827328183 660489331 /nfs/dbraw/zinc/48/93/31/660489331.db2.gz CULYTUMVOHNLJO-IINYFYTJSA-N 1 0 388.224 2.597 20 0 GFADRO Cc1ccc(I)c(C(=O)N2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)c1 ZINC000827331171 660489641 /nfs/dbraw/zinc/48/96/41/660489641.db2.gz WZWPSTPNRVLXNB-SWLSCSKDSA-N 1 0 384.261 2.766 20 0 GFADRO CN(C(=O)[C@]1(C)CC1(Br)Br)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000827293347 660487908 /nfs/dbraw/zinc/48/79/08/660487908.db2.gz YAVOJAILFFAIRK-JQWIXIFHSA-N 1 0 380.124 2.578 20 0 GFADRO CC(C)C[C@@H](CNC(=O)[C@@]1(C)CC1(Br)Br)[NH+](C)C ZINC000827489452 660499418 /nfs/dbraw/zinc/49/94/18/660499418.db2.gz RBHKAHHVBPGBPE-CMPLNLGQSA-N 1 0 384.156 2.975 20 0 GFADRO CC(C)(C)N1C[C@H](C[NH2+]Cc2nc3ccccn3c2Br)CC1=O ZINC000827555603 660502012 /nfs/dbraw/zinc/50/20/12/660502012.db2.gz XXMINBIBHMRTEM-LBPRGKRZSA-N 1 0 379.302 2.833 20 0 GFADRO C[NH+](C)CC[C@@H](NC(=O)c1csc(I)n1)C(C)(C)C ZINC000827998294 660525703 /nfs/dbraw/zinc/52/57/03/660525703.db2.gz GMDAFJAYJBIZKO-SNVBAGLBSA-N 1 0 395.310 2.844 20 0 GFADRO C[C@@H](NC(=O)c1cccc(S(=O)(=O)C(F)(F)F)c1)C(C)(C)C[NH+](C)C ZINC000828620807 660560003 /nfs/dbraw/zinc/56/00/03/660560003.db2.gz FTIGKNDAXCARKF-LLVKDONJSA-N 1 0 380.432 2.686 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)Nc2nnc(CC(F)(F)F)s2)CC[C@H]1C(F)(F)F ZINC000625869544 652374075 /nfs/dbraw/zinc/37/40/75/652374075.db2.gz UPFJDDPNOYSWGK-RNFRBKRXSA-N 1 0 391.341 2.634 20 0 GFADRO C[C@H]1CC[C@H](NC(=O)Nc2ccn(-c3ccc(Br)cc3)n2)C[NH2+]1 ZINC000625890511 652375184 /nfs/dbraw/zinc/37/51/84/652375184.db2.gz KZPIBAPHJWUYDK-AAEUAGOBSA-N 1 0 378.274 2.897 20 0 GFADRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)[C@@]2(C)CC2(Br)Br)C1 ZINC000829999793 660628881 /nfs/dbraw/zinc/62/88/81/660628881.db2.gz POILMEIUHYLWRM-DGCLKSJQSA-N 1 0 396.167 2.977 20 0 GFADRO C[C@H]1[C@H](NC(=O)c2cnn(Cc3ccccc3)c2Br)CC[N@@H+]1C ZINC000830110969 660635777 /nfs/dbraw/zinc/63/57/77/660635777.db2.gz KMSRWUAAMBRIGY-SWLSCSKDSA-N 1 0 377.286 2.516 20 0 GFADRO C[C@H]1C[C@@H](CCNS(=O)(=O)c2c[nH]nc2Cl)C[N@@H+]1Cc1ccccc1 ZINC000830935701 660687183 /nfs/dbraw/zinc/68/71/83/660687183.db2.gz UBWBZNGWKYNLPI-DZGCQCFKSA-N 1 0 382.917 2.642 20 0 GFADRO [NH3+]CCCCCCNC(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000831156313 660700294 /nfs/dbraw/zinc/70/02/94/660700294.db2.gz UVHNJTXNNCARBF-OAHLLOKOSA-N 1 0 383.334 2.846 20 0 GFADRO O=C(N[C@@H]1C[NH2+]CCC1(F)F)N1CCO[C@@H](c2c(F)cccc2Cl)C1 ZINC000831196419 660703315 /nfs/dbraw/zinc/70/33/15/660703315.db2.gz BXZQWYRSFCOIQV-CHWSQXEVSA-N 1 0 377.794 2.559 20 0 GFADRO CCO[C@@H](CNC(=O)c1sc(C)c(Br)c1OC)C[NH+](C)C ZINC000831743131 660724587 /nfs/dbraw/zinc/72/45/87/660724587.db2.gz BGSPWUYNNBSQDY-JTQLQIEISA-N 1 0 379.320 2.524 20 0 GFADRO CCOc1ccc(Br)c(C(=O)NC[C@H](C[NH+](C)C)OCC)c1F ZINC000831776581 660726100 /nfs/dbraw/zinc/72/61/00/660726100.db2.gz KTAQZOQGMIOVOG-LLVKDONJSA-N 1 0 391.281 2.683 20 0 GFADRO CC1([NH+]2CCCCC2)CCN(C(=O)CCn2cc(Br)cn2)CC1 ZINC000832242719 660767815 /nfs/dbraw/zinc/76/78/15/660767815.db2.gz BXYNCWCHDMMESU-UHFFFAOYSA-N 1 0 383.334 2.903 20 0 GFADRO CC(C)[N@@H+]1CCC[C@@H](NC(=O)[C@@]2(C)CC2(Br)Br)C1 ZINC000832295701 660771857 /nfs/dbraw/zinc/77/18/57/660771857.db2.gz FSBGKCFKKGGHKR-ZYHUDNBSSA-N 1 0 382.140 2.872 20 0 GFADRO CC(C)[NH2+]CCCNC(=O)c1cc(S(=O)(=O)NC(C)(C)C)ccc1Cl ZINC000832607209 660789549 /nfs/dbraw/zinc/78/95/49/660789549.db2.gz TWLVDLUORQZEHP-UHFFFAOYSA-N 1 0 389.949 2.535 20 0 GFADRO C[C@@H]1CN(C(=O)c2c(Cl)nc3cc(Cl)ccn32)CC[N@@H+]1CC(C)(C)O ZINC000832677170 660794053 /nfs/dbraw/zinc/79/40/53/660794053.db2.gz FJFSOYFZRSTDIC-LLVKDONJSA-N 1 0 385.295 2.558 20 0 GFADRO CC1(C)CCC[N@@H+]1CCNS(=O)(=O)c1cc(Br)cnc1Cl ZINC000832755817 660798671 /nfs/dbraw/zinc/79/86/71/660798671.db2.gz DMKMJCDYAOLEOL-UHFFFAOYSA-N 1 0 396.738 2.650 20 0 GFADRO O=C(Cc1ccc(Cl)cc1Br)NC[C@H]1CCCC[N@H+]1CCO ZINC000833559429 660808469 /nfs/dbraw/zinc/80/84/69/660808469.db2.gz OYKCSUZOJYPCSA-CQSZACIVSA-N 1 0 389.721 2.608 20 0 GFADRO C[C@](O)(C[NH2+]C1CCN(C(=O)C2CC2)CC1)c1ccc(Br)cc1F ZINC000834356958 660815794 /nfs/dbraw/zinc/81/57/94/660815794.db2.gz BMFJEFPLKKRCRV-SFHVURJKSA-N 1 0 399.304 2.786 20 0 GFADRO C[C@@H]([NH2+][C@@H]1CCN(c2ccccc2C(N)=O)C1)c1nc(Br)cs1 ZINC000834578069 660825369 /nfs/dbraw/zinc/82/53/69/660825369.db2.gz BIFIMDLJHOCEDF-GHMZBOCLSA-N 1 0 395.326 2.934 20 0 GFADRO C[C@H](CC(=O)NC[C@H]1[NH2+]CCc2ccccc21)n1cc(Br)cn1 ZINC000834764977 660832455 /nfs/dbraw/zinc/83/24/55/660832455.db2.gz PSTMAEFSJKOWST-MLGOLLRUSA-N 1 0 377.286 2.600 20 0 GFADRO CCN1CC[NH+](CCCCNC(=O)NCC[C@]2(C)CC2(Cl)Cl)CC1 ZINC000836238606 660896729 /nfs/dbraw/zinc/89/67/29/660896729.db2.gz AVNCXKYWBJVQTH-MRXNPFEDSA-N 1 0 379.376 2.677 20 0 GFADRO C[NH+](C)CCCOc1cnccc1CNC(=O)NC[C@]1(C)CC1(Cl)Cl ZINC000836457269 660907659 /nfs/dbraw/zinc/90/76/59/660907659.db2.gz ABNRCXPCCGQJBO-INIZCTEOSA-N 1 0 389.327 2.795 20 0 GFADRO C[C@@]1(CNC(=O)N2CCC(OCC[NH+]3CCCC3)CC2)CC1(Cl)Cl ZINC000836585511 660917238 /nfs/dbraw/zinc/91/72/38/660917238.db2.gz IPDOTZZAZYXHLN-INIZCTEOSA-N 1 0 378.344 2.857 20 0 GFADRO C[C@@]1(CCNC(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)CC1(Cl)Cl ZINC000836619481 660921594 /nfs/dbraw/zinc/92/15/94/660921594.db2.gz KVCUTYWGTZITJK-GOEBONIOSA-N 1 0 378.344 2.903 20 0 GFADRO O[C@@H](C[NH2+]CCCCn1cc(Br)cn1)C[C@@H](O)c1ccccc1 ZINC000905242995 654343657 /nfs/dbraw/zinc/34/36/57/654343657.db2.gz LRLJEONKRPVKLB-IAGOWNOFSA-N 1 0 382.302 2.500 20 0 GFADRO Cc1c(Br)nccc1NC(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000836680916 660927681 /nfs/dbraw/zinc/92/76/81/660927681.db2.gz HIGGRJUVTKXRBX-CQSZACIVSA-N 1 0 397.317 2.729 20 0 GFADRO C[NH+](C)CCn1nccc1NC(=O)NCc1ccc(Br)cc1F ZINC000836700294 660933701 /nfs/dbraw/zinc/93/37/01/660933701.db2.gz OKOJQRNFFMVINU-UHFFFAOYSA-N 1 0 384.253 2.668 20 0 GFADRO C[NH+](C)CCCC(C)(C)NC(=O)COc1ccc(C=O)cc1Br ZINC000836855189 660950256 /nfs/dbraw/zinc/95/02/56/660950256.db2.gz JEOLHEMXQVHMDC-UHFFFAOYSA-N 1 0 385.302 2.877 20 0 GFADRO C[C@H](C(=O)NC(=O)NCC(F)(F)F)[N@H+](C)Cc1ccc(Br)cc1 ZINC000024370905 654543875 /nfs/dbraw/zinc/54/38/75/654543875.db2.gz NMYMODIOIDGILY-SECBINFHSA-N 1 0 396.207 2.658 20 0 GFADRO CNS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccccc2C[NH+](C)C)c1 ZINC000031231983 654592747 /nfs/dbraw/zinc/59/27/47/654592747.db2.gz CPESNWBZHDELGP-UHFFFAOYSA-N 1 0 381.885 2.562 20 0 GFADRO CN(C[C@@H](O)c1ccccc1Br)C(=O)CCN(C)c1cc[nH+]cc1 ZINC000837154552 660973641 /nfs/dbraw/zinc/97/36/41/660973641.db2.gz KKRGDXFMFFWTHU-QGZVFWFLSA-N 1 0 392.297 2.862 20 0 GFADRO O=C(c1ccccc1I)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037916836 654615948 /nfs/dbraw/zinc/61/59/48/654615948.db2.gz RPJUMOILAMUPCD-DOMZBBRYSA-N 1 0 384.261 2.895 20 0 GFADRO CCN(CCC[NH2+][C@H]1CCc2cc(Br)ccc21)S(C)(=O)=O ZINC000040227650 654621277 /nfs/dbraw/zinc/62/12/77/654621277.db2.gz QGXSCWWWVCXUPS-HNNXBMFYSA-N 1 0 375.332 2.698 20 0 GFADRO Cc1csc([C@](O)(CC(=O)N(C)[C@@H]2CC[N@@H+](C(C)C)C2)C(F)(F)F)n1 ZINC000837186719 660976173 /nfs/dbraw/zinc/97/61/73/660976173.db2.gz UMQATHZYNFNBBD-IUODEOHRSA-N 1 0 379.448 2.533 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)NCC[N@H+]1CCC[C@H](C)C1 ZINC000041710877 654629933 /nfs/dbraw/zinc/62/99/33/654629933.db2.gz VYIOZYWKNKSBIX-LBPRGKRZSA-N 1 0 396.329 2.853 20 0 GFADRO C[NH+]1CCN(c2ccc(Br)cc2NC(=O)C[C@H]2CCCO2)CC1 ZINC000042395689 654639735 /nfs/dbraw/zinc/63/97/35/654639735.db2.gz ZXOIQDISFCGFQA-CQSZACIVSA-N 1 0 382.302 2.709 20 0 GFADRO Cn1cc(Br)cc1C(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000042727013 654643155 /nfs/dbraw/zinc/64/31/55/654643155.db2.gz SIOYUXKAQJUZED-UHFFFAOYSA-N 1 0 376.298 2.966 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)c1nc(N2CCCC2)ncc1Cl)c1cccs1 ZINC000042765452 654644061 /nfs/dbraw/zinc/64/40/61/654644061.db2.gz ITMIVMWOUKMWTA-CYBMUJFWSA-N 1 0 379.917 2.824 20 0 GFADRO C[NH+]1CCN(c2cc(CNC(=S)Nc3ccccc3Cl)ccn2)CC1 ZINC000044153734 654654459 /nfs/dbraw/zinc/65/44/59/654654459.db2.gz VVKHFWNMTSBZGN-UHFFFAOYSA-N 1 0 375.929 2.973 20 0 GFADRO CCn1c(SCC(=O)NC[C@H]2CCC[N@@H+]2CC)nnc1-c1cccs1 ZINC000044571957 654659998 /nfs/dbraw/zinc/65/99/98/654659998.db2.gz XJOGCIJJGUFGAB-CYBMUJFWSA-N 1 0 379.555 2.719 20 0 GFADRO C[C@H](C(=O)Nc1cc(Br)ccc1N1CC[NH+](C)CC1)n1cccn1 ZINC000044679872 654662027 /nfs/dbraw/zinc/66/20/27/654662027.db2.gz ODXZBNIEIXRAMF-CYBMUJFWSA-N 1 0 392.301 2.597 20 0 GFADRO CS(=O)(=O)NCCC[NH2+]Cc1cccc(OCc2ccccc2Cl)c1 ZINC000044862410 654664236 /nfs/dbraw/zinc/66/42/36/654664236.db2.gz HOVIOEXZCSHGOK-UHFFFAOYSA-N 1 0 382.913 2.948 20 0 GFADRO C[C@@H]1C[N@@H+](CCCNC(=O)N(C)Cc2ccc(Br)o2)C[C@H](C)O1 ZINC000045455024 654668615 /nfs/dbraw/zinc/66/86/15/654668615.db2.gz ZUINJBNHMYQUTM-BETUJISGSA-N 1 0 388.306 2.683 20 0 GFADRO C[C@H](CNC(=O)c1c(Br)nc2n1CCCC2)[N@@H+]1CCCC[C@H]1C ZINC000837346995 660987880 /nfs/dbraw/zinc/98/78/80/660987880.db2.gz UECQAXOXKAPAGP-CHWSQXEVSA-N 1 0 383.334 2.975 20 0 GFADRO O=C(Cc1ccc(Br)cc1)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000047633038 654698103 /nfs/dbraw/zinc/69/81/03/654698103.db2.gz YGNALACEUORLPC-KRWDZBQOSA-N 1 0 381.314 2.705 20 0 GFADRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1c(Br)nc2n1CCCC2 ZINC000837362745 660989109 /nfs/dbraw/zinc/98/91/09/660989109.db2.gz LBEXMDKNXSXHQK-STQMWFEESA-N 1 0 383.334 2.832 20 0 GFADRO CCOC(=O)N[C@@H]1CCC[N@H+](C[C@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000047796493 654700962 /nfs/dbraw/zinc/70/09/62/654700962.db2.gz KWIFFCMIJAMYOH-KGLIPLIRSA-N 1 0 391.295 2.944 20 0 GFADRO COCC[N@@H+]1CCCN(C(=O)CCCOc2ccccc2Br)CC1 ZINC000048428033 654707135 /nfs/dbraw/zinc/70/71/35/654707135.db2.gz OEQSOQOOTACCKY-UHFFFAOYSA-N 1 0 399.329 2.789 20 0 GFADRO COc1ccc(Br)cc1CNC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000050134752 654717877 /nfs/dbraw/zinc/71/78/77/654717877.db2.gz PYZOBGPUCHWERA-UHFFFAOYSA-N 1 0 382.302 2.884 20 0 GFADRO Cc1cccc(NC(=O)C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)c1Br ZINC000122173652 654730345 /nfs/dbraw/zinc/73/03/45/654730345.db2.gz UHTNAWNIPQFZDV-ZFWWWQNUSA-N 1 0 394.313 2.639 20 0 GFADRO CCOC(=O)N[C@H]1CCC[N@H+](CCC(=O)Nc2ccccc2Br)C1 ZINC000052871046 654740997 /nfs/dbraw/zinc/74/09/97/654740997.db2.gz AIQDTJZPZGYWAL-ZDUSSCGKSA-N 1 0 398.301 2.988 20 0 GFADRO O=C(NCC[NH+]1CCCCC1)[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000053514640 654748302 /nfs/dbraw/zinc/74/83/02/654748302.db2.gz OMPAELSQYDJANZ-AWEZNQCLSA-N 1 0 384.307 2.948 20 0 GFADRO O=C(NCCCC[NH+]1CCOCC1)c1cc2c(cc(Br)cc2F)[nH]1 ZINC000053812698 654750770 /nfs/dbraw/zinc/75/07/70/654750770.db2.gz MFQJCJKUQSCVIC-UHFFFAOYSA-N 1 0 398.276 2.912 20 0 GFADRO CC(=O)Nc1cc(F)c(S(=O)(=O)N(CC[NH+](C)C)C(C)C)c(F)c1Cl ZINC000123422768 654755640 /nfs/dbraw/zinc/75/56/40/654755640.db2.gz CYZLSUFDWDCUBI-UHFFFAOYSA-N 1 0 397.875 2.537 20 0 GFADRO O=C(c1ccsc1)N1CCC[N@@H+](C[C@@H](O)COCc2cccs2)CC1 ZINC000054424028 654760259 /nfs/dbraw/zinc/76/02/59/654760259.db2.gz FAWMHRIKOQPHCC-MRXNPFEDSA-N 1 0 380.535 2.535 20 0 GFADRO C[C@@H]1CN(C[C@@H]2CCCN2C(=O)c2cc(Br)cn2C)C[C@@H](C)O1 ZINC000123684873 654760557 /nfs/dbraw/zinc/76/05/57/654760557.db2.gz GGPHSMLBOYZZBJ-NFAWXSAZSA-N 1 0 384.318 2.501 20 0 GFADRO C[C@@H]1CCC[N@H+](CCNC(=O)N(C)C[C@H](O)c2ccccc2Br)C1 ZINC000837518905 661002969 /nfs/dbraw/zinc/00/29/69/661002969.db2.gz GUEKFVDIPZODKF-PBHICJAKSA-N 1 0 398.345 2.856 20 0 GFADRO CCC[NH+]1CCC(CNC(=O)c2c(Br)nc3n2CCCC3)CC1 ZINC000837379732 660991059 /nfs/dbraw/zinc/99/10/59/660991059.db2.gz MDHAZNWQPCZZGL-UHFFFAOYSA-N 1 0 383.334 2.834 20 0 GFADRO C[N@H+](CCC1CCOCC1)Cn1nc(Br)c(=O)c2ccccc21 ZINC000124299222 654774004 /nfs/dbraw/zinc/77/40/04/654774004.db2.gz LXNKUTMROJTRMT-UHFFFAOYSA-N 1 0 380.286 2.865 20 0 GFADRO C[N@H+](CCc1nccs1)Cn1nc(Br)c(=O)c2ccccc21 ZINC000124349484 654774873 /nfs/dbraw/zinc/77/48/73/654774873.db2.gz AZPHGQCSBMMGDW-UHFFFAOYSA-N 1 0 379.283 2.748 20 0 GFADRO Cc1sc(C(=O)NCCCC[NH+]2CCC(C)CC2)cc1CS(C)(=O)=O ZINC000124357596 654775162 /nfs/dbraw/zinc/77/51/62/654775162.db2.gz HSZAQOGSYOYWKT-UHFFFAOYSA-N 1 0 386.583 2.843 20 0 GFADRO O=C(CC[NH+]1CCC(C(=O)NC2CC2)CC1)Nc1ccccc1Br ZINC000055912236 654783653 /nfs/dbraw/zinc/78/36/53/654783653.db2.gz CXYOZVALMMOXDK-UHFFFAOYSA-N 1 0 394.313 2.768 20 0 GFADRO C[C@@H](CNC(=O)CCNC(=O)c1ccc(Br)cc1)[NH+]1CCCCC1 ZINC000055932142 654784058 /nfs/dbraw/zinc/78/40/58/654784058.db2.gz GLIJXLDIZRKNSB-AWEZNQCLSA-N 1 0 396.329 2.560 20 0 GFADRO COc1cc(C)c(Br)cc1S(=O)(=O)N(C)CC[C@@H]([NH3+])C(C)C ZINC000124948102 654784529 /nfs/dbraw/zinc/78/45/29/654784529.db2.gz DDYGIAMYGIVWLT-CYBMUJFWSA-N 1 0 393.347 2.760 20 0 GFADRO CC1CC[NH+](C[C@@H](O)CNC(=O)c2cc(Cl)cc(Br)c2)CC1 ZINC000124973897 654785124 /nfs/dbraw/zinc/78/51/24/654785124.db2.gz ZHTKXTSNBUQMGJ-HNNXBMFYSA-N 1 0 389.721 2.925 20 0 GFADRO COCC[N@H+](C)CCCNC(=O)c1cnn(-c2ccc(Cl)cc2Cl)c1 ZINC000056396372 654794235 /nfs/dbraw/zinc/79/42/35/654794235.db2.gz DGMHWCGXGKTSLB-UHFFFAOYSA-N 1 0 385.295 2.877 20 0 GFADRO C[C@H](CNC(=O)[C@@]12CCC(=O)N1c1cc(Cl)ccc1S2)[N@H+](C)C1CC1 ZINC000057700880 654808200 /nfs/dbraw/zinc/80/82/00/654808200.db2.gz BRZISILBIRATFZ-ZMZPIMSZSA-N 1 0 379.913 2.868 20 0 GFADRO CCC(=O)N1CC[C@H]([NH2+][C@@H](C)CC(=O)Nc2ccc(Br)cc2)C1 ZINC000126662716 654818215 /nfs/dbraw/zinc/81/82/15/654818215.db2.gz NZHMTLYLKVGNKI-WFASDCNBSA-N 1 0 382.302 2.767 20 0 GFADRO Cc1ccc(S(=O)(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)c(Cl)c1 ZINC000127423490 654829560 /nfs/dbraw/zinc/82/95/60/654829560.db2.gz NXGKZWXUFMSGRZ-IAGOWNOFSA-N 1 0 386.945 2.695 20 0 GFADRO O=S(=O)(NCC[NH2+]Cc1cc(-c2ccccc2)n[nH]1)c1ccc(Cl)s1 ZINC000127874437 654836349 /nfs/dbraw/zinc/83/63/49/654836349.db2.gz JICPGEHZAPCMOX-UHFFFAOYSA-N 1 0 396.925 2.860 20 0 GFADRO C[NH+]1CCN(CCCNC(=O)CSc2cc(Cl)ccc2Cl)CC1 ZINC000061523841 654839951 /nfs/dbraw/zinc/83/99/51/654839951.db2.gz BDUBSIALAXTWAW-UHFFFAOYSA-N 1 0 376.353 2.839 20 0 GFADRO Cc1ccc(O)c(C[NH2+]Cc2ccc(Br)cc2N2CCOCC2)n1 ZINC000128344547 654844005 /nfs/dbraw/zinc/84/40/05/654844005.db2.gz VZXBGYNMVPCKBG-UHFFFAOYSA-N 1 0 392.297 2.985 20 0 GFADRO CC[C@H]1CN(C(=O)Nc2ccc(Br)c(C)n2)CC[N@@H+]1CCOC ZINC000128457615 654847397 /nfs/dbraw/zinc/84/73/97/654847397.db2.gz QPQHVIUEJGAZJP-ZDUSSCGKSA-N 1 0 385.306 2.727 20 0 GFADRO CC[NH+](CC)[C@H]1CCN(S(=O)(=O)c2ccc(C)cc2Br)C1 ZINC000062983940 654848428 /nfs/dbraw/zinc/84/84/28/654848428.db2.gz KKWTZLHOLGBDCU-ZDUSSCGKSA-N 1 0 375.332 2.862 20 0 GFADRO C[N@H+](CCNC(=O)CCc1nc(-c2cc(Br)cs2)no1)C1CC1 ZINC000063116356 654848971 /nfs/dbraw/zinc/84/89/71/654848971.db2.gz OFAFHUQWURAYQH-UHFFFAOYSA-N 1 0 399.314 2.704 20 0 GFADRO C[NH+]1CCC(NC(=S)NCC2(c3cccc(Cl)c3)CCOCC2)CC1 ZINC000063150797 654849751 /nfs/dbraw/zinc/84/97/51/654849751.db2.gz OJRNPJIRNHAPEQ-UHFFFAOYSA-N 1 0 381.973 2.947 20 0 GFADRO Cc1nc(NC(=O)N(C)CC2CC[NH+](C[C@H](C)O)CC2)ccc1Br ZINC000128647768 654849838 /nfs/dbraw/zinc/84/98/38/654849838.db2.gz VLWATHSCCMVVLA-LBPRGKRZSA-N 1 0 399.333 2.709 20 0 GFADRO COCc1nc(CNCc2c(Cl)cccc2N2CC[NH+](C)CC2)cs1 ZINC000266129666 654858763 /nfs/dbraw/zinc/85/87/63/654858763.db2.gz CKBHNXDWFDHQMV-UHFFFAOYSA-N 1 0 380.945 2.985 20 0 GFADRO CCCS(=O)(=O)Nc1ccc(NC(=S)NC[C@H]2CCC[N@@H+]2CC)cc1 ZINC000063846991 654859127 /nfs/dbraw/zinc/85/91/27/654859127.db2.gz WWUYJIZEAFAGND-MRXNPFEDSA-N 1 0 384.571 2.609 20 0 GFADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)[C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 ZINC000266181532 654861122 /nfs/dbraw/zinc/86/11/22/654861122.db2.gz YUFTYZNQJWQYTO-JYJNAYRXSA-N 1 0 384.307 2.553 20 0 GFADRO Cc1c(Br)cccc1C(=O)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000266220937 654864401 /nfs/dbraw/zinc/86/44/01/654864401.db2.gz CAFNNTUCNDKAST-UHFFFAOYSA-N 1 0 380.330 2.611 20 0 GFADRO C[C@H]([NH2+]C1CCN(S(=O)(=O)C2CCOCC2)CC1)c1ccc(Cl)cc1 ZINC000129618716 654868470 /nfs/dbraw/zinc/86/84/70/654868470.db2.gz QEHTYKPKWICJEE-AWEZNQCLSA-N 1 0 386.945 2.964 20 0 GFADRO Cc1cc(N2CC[C@@H]([NH2+][C@@H]3CCc4cc(Br)ccc43)C2=O)n(C)n1 ZINC000266513074 654882777 /nfs/dbraw/zinc/88/27/77/654882777.db2.gz XYOKLCCYHHTURS-HZPDHXFCSA-N 1 0 389.297 2.873 20 0 GFADRO Cc1cc(NC(=O)C(=O)NC[C@H]2CC[N@@H+](C(C)C)C2)ccc1Br ZINC000065639630 654883462 /nfs/dbraw/zinc/88/34/62/654883462.db2.gz FATUNWKVBAGDPV-CYBMUJFWSA-N 1 0 382.302 2.543 20 0 GFADRO O=C(CC[NH2+]Cc1ccccc1I)Nc1ccccn1 ZINC000065977733 654891770 /nfs/dbraw/zinc/89/17/70/654891770.db2.gz AHVFUMQRHXHTNO-UHFFFAOYSA-N 1 0 381.217 2.805 20 0 GFADRO O=C(Nc1ccccc1I)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000066157332 654895977 /nfs/dbraw/zinc/89/59/77/654895977.db2.gz PQLJWVPVLQTBRL-LBPRGKRZSA-N 1 0 385.249 2.993 20 0 GFADRO O=C(Nc1cccc(I)c1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000066157878 654896049 /nfs/dbraw/zinc/89/60/49/654896049.db2.gz AMZVDFQWKHTHQH-AWEZNQCLSA-N 1 0 385.249 2.993 20 0 GFADRO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(Cc2cc(F)cc(Br)c2)CC1 ZINC000131173267 654897482 /nfs/dbraw/zinc/89/74/82/654897482.db2.gz QWAXROTYFARGAI-MRXNPFEDSA-N 1 0 384.293 2.502 20 0 GFADRO C[NH+]1CCC(O)(CNC(=O)COc2cc(Cl)c(Cl)cc2Cl)CC1 ZINC000267061766 654908073 /nfs/dbraw/zinc/90/80/73/654908073.db2.gz GZOBOJSPVLQMNT-UHFFFAOYSA-N 1 0 381.687 2.599 20 0 GFADRO CCc1ccc(C[NH2+]Cc2ccc(S(=O)(=O)N3CCOCC3)s2)s1 ZINC000066587053 654908102 /nfs/dbraw/zinc/90/81/02/654908102.db2.gz WJTUFZVVZFBYRK-UHFFFAOYSA-N 1 0 386.564 2.683 20 0 GFADRO C[C@@H](C(=O)NCc1nc2cc(Br)cnc2[nH]1)[NH+]1CCCCCC1 ZINC000267079555 654909432 /nfs/dbraw/zinc/90/94/32/654909432.db2.gz JYNZIHAXVWXUIE-NSHDSACASA-N 1 0 380.290 2.601 20 0 GFADRO C[C@@H](SCC(=O)NC[C@]1([NH+](C)C)CCSC1)c1nc2ccccc2[nH]1 ZINC000267222834 654918549 /nfs/dbraw/zinc/91/85/49/654918549.db2.gz IJWMBHMXTNDKQA-FZKQIMNGSA-N 1 0 378.567 2.911 20 0 GFADRO COC(=O)[C@@H](C)Sc1ccccc1C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000267226016 654918847 /nfs/dbraw/zinc/91/88/47/654918847.db2.gz IZXUYEGIBLEZDD-FZKQIMNGSA-N 1 0 382.551 2.507 20 0 GFADRO CCS(=O)(=O)NCC[NH2+]Cc1cccc(OCc2ccccc2Cl)c1 ZINC000066875908 654919333 /nfs/dbraw/zinc/91/93/33/654919333.db2.gz KQKIKVIMGYVVRW-UHFFFAOYSA-N 1 0 382.913 2.948 20 0 GFADRO COc1cc(C[N@H+](C)[C@@H]2CCOC2)cc(I)c1OC ZINC000132163117 654927307 /nfs/dbraw/zinc/92/73/07/654927307.db2.gz PXUWVGBGJMCQFY-LLVKDONJSA-N 1 0 377.222 2.529 20 0 GFADRO Cn1ncc(Cl)c1C[NH2+]C[C@H](CO)Cc1ccc(OC(F)(F)F)cc1 ZINC000132198008 654928658 /nfs/dbraw/zinc/92/86/58/654928658.db2.gz VMFGYBYKWDKIHF-GFCCVEGCSA-N 1 0 377.794 2.913 20 0 GFADRO C[NH+]1CCC(O)(CNC(=O)CCc2cc(Cl)ccc2Br)CC1 ZINC000267438809 654928630 /nfs/dbraw/zinc/92/86/30/654928630.db2.gz BBXWRTYAETZOFP-UHFFFAOYSA-N 1 0 389.721 2.608 20 0 GFADRO CC1CC[NH+](C[C@H](O)CNCC2=Cc3cc(Br)ccc3OC2)CC1 ZINC000067122368 654930759 /nfs/dbraw/zinc/93/07/59/654930759.db2.gz OPFOFBYQGCKJMA-GOSISDBHSA-N 1 0 395.341 2.907 20 0 GFADRO C[NH+](C)[C@]1(CNC(=O)N2CCC[C@H]2C[C@H](O)c2cccs2)CCSC1 ZINC000267525145 654933003 /nfs/dbraw/zinc/93/30/03/654933003.db2.gz RTPQQBNUXGLULC-MPGHIAIKSA-N 1 0 383.583 2.783 20 0 GFADRO O=C(NCC[NH2+]Cc1cc2c(c(Br)c1)OCO2)c1ccc(F)cc1 ZINC000067249418 654934497 /nfs/dbraw/zinc/93/44/97/654934497.db2.gz NRDZDGMYQOJEJA-UHFFFAOYSA-N 1 0 395.228 2.837 20 0 GFADRO Cn1cc(Br)cc(NC(=O)NC[C@@H](c2ccsc2)[NH+](C)C)c1=O ZINC000267617934 654938414 /nfs/dbraw/zinc/93/84/14/654938414.db2.gz QEUCFBOPDHEMSA-ZDUSSCGKSA-N 1 0 399.314 2.634 20 0 GFADRO NC(=O)c1csc(C[NH2+][C@H]2CCN(c3ccccc3Br)C2)c1 ZINC000132499945 654939307 /nfs/dbraw/zinc/93/93/07/654939307.db2.gz YJEQKSOCGSUDDT-LBPRGKRZSA-N 1 0 380.311 2.978 20 0 GFADRO O=C(Cc1cc(Br)ccc1F)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000132501301 654939333 /nfs/dbraw/zinc/93/93/33/654939333.db2.gz CSEYYUYGOJQWNS-CQSZACIVSA-N 1 0 399.304 2.702 20 0 GFADRO CC(C)[NH+]1CCC(NC(=O)COC(=O)c2ccsc2Br)CC1 ZINC000838238753 661034078 /nfs/dbraw/zinc/03/40/78/661034078.db2.gz XGCOTHWMBYRVQA-UHFFFAOYSA-N 1 0 389.315 2.656 20 0 GFADRO CCN(CC)S(=O)(=O)CC[NH2+][C@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000132911021 654949173 /nfs/dbraw/zinc/94/91/73/654949173.db2.gz MUIGMTWAEKWRPL-AWEZNQCLSA-N 1 0 379.448 2.739 20 0 GFADRO CCOc1cc(Br)c(CC(=O)N2CCC[C@@H]([NH2+]C)C2)cc1OCC ZINC000132989997 654951186 /nfs/dbraw/zinc/95/11/86/654951186.db2.gz CKIRCYLGMBIHMX-CQSZACIVSA-N 1 0 399.329 2.999 20 0 GFADRO C[NH+]1CCN(C[C@H](NC(=O)c2ccc(Br)o2)c2ccccc2)CC1 ZINC000068024671 654951670 /nfs/dbraw/zinc/95/16/70/654951670.db2.gz KTNTXKNPVRIZFQ-HNNXBMFYSA-N 1 0 392.297 2.761 20 0 GFADRO C[C@H](CNC(=O)CCN1C(=S)N=NC1c1cccs1)C[NH+]1CCCC1 ZINC000068103620 654954406 /nfs/dbraw/zinc/95/44/06/654954406.db2.gz FJUXIXZTKQDIOW-CYBMUJFWSA-N 1 0 379.555 2.534 20 0 GFADRO O=S(=O)(CC[NH2+]Cc1ccc(Br)cc1)NCc1ccccc1 ZINC000069065300 654972187 /nfs/dbraw/zinc/97/21/87/654972187.db2.gz CSSLQVVDHUJVPI-UHFFFAOYSA-N 1 0 383.311 2.658 20 0 GFADRO Cc1cc(Br)ccc1CNC(=O)NCC1(O)CC[NH+](C(C)C)CC1 ZINC000268467620 654973168 /nfs/dbraw/zinc/97/31/68/654973168.db2.gz JMKQMXNKFTVASK-UHFFFAOYSA-N 1 0 398.345 2.792 20 0 GFADRO COc1cc(Cl)c(Cl)cc1C(=O)NCC1(O)CC[NH+](C(C)C)CC1 ZINC000268515586 654975921 /nfs/dbraw/zinc/97/59/21/654975921.db2.gz YQLQBSLNSZTSQZ-UHFFFAOYSA-N 1 0 375.296 2.967 20 0 GFADRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)Nc1nc(-c2cccs2)cs1 ZINC000133918522 654977170 /nfs/dbraw/zinc/97/71/70/654977170.db2.gz VCEPEYNGGDJTRU-GFCCVEGCSA-N 1 0 378.523 2.610 20 0 GFADRO Cn1ccnc1[C@](O)(C[NH2+]Cc1ccc(Br)c(F)c1)C(F)(F)F ZINC000268616160 654980041 /nfs/dbraw/zinc/98/00/41/654980041.db2.gz AFOFSFQKKMBSOB-CYBMUJFWSA-N 1 0 396.182 2.861 20 0 GFADRO CC[C@@](C)(CC(=O)OC)[NH2+]CC(=O)Nc1ccc(Br)cc1F ZINC000134107855 654983196 /nfs/dbraw/zinc/98/31/96/654983196.db2.gz MPHSZNSVBYJOME-HNNXBMFYSA-N 1 0 375.238 2.848 20 0 GFADRO O=C(Cc1ccc(Br)cc1)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000069743001 654986045 /nfs/dbraw/zinc/98/60/45/654986045.db2.gz HYXLLTFZHVEWDC-INIZCTEOSA-N 1 0 381.314 2.562 20 0 GFADRO Brc1ccc(OCC[N@@H+]2CCC[C@@H](CN3CCOCC3)C2)cc1 ZINC000069803896 654986693 /nfs/dbraw/zinc/98/66/93/654986693.db2.gz KFZZDGHUGPLRGE-MRXNPFEDSA-N 1 0 383.330 2.872 20 0 GFADRO COC(=O)N1CCC([NH2+][C@H](C)c2ccc(S(=O)(=O)C(F)F)cc2)CC1 ZINC000268869705 654989828 /nfs/dbraw/zinc/98/98/28/654989828.db2.gz UVBIVQXNAITOGF-LLVKDONJSA-N 1 0 376.425 2.564 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)C(=O)NCC[NH+](C(C)C)C(C)C ZINC000070689246 654993131 /nfs/dbraw/zinc/99/31/31/654993131.db2.gz XRPGGCMFRXFQFF-UHFFFAOYSA-N 1 0 384.318 2.931 20 0 GFADRO COc1ccc([C@@H](C)[NH2+][C@H]2CCCN(S(C)(=O)=O)C2)cc1Br ZINC000268976280 654993890 /nfs/dbraw/zinc/99/38/90/654993890.db2.gz GTVGRIOAGAZWFW-YPMHNXCESA-N 1 0 391.331 2.532 20 0 GFADRO C[C@@H](COCC(F)(F)F)[NH2+][C@@H](C)c1cccc(N2CCCS2(=O)=O)c1 ZINC000269021912 654995553 /nfs/dbraw/zinc/99/55/53/654995553.db2.gz PVGZIAZGZJAIPR-STQMWFEESA-N 1 0 380.432 2.845 20 0 GFADRO CC(C)C[C@@H](CNC(=O)c1ccc(Br)cc1-n1cncn1)[NH+](C)C ZINC000134582451 654996905 /nfs/dbraw/zinc/99/69/05/654996905.db2.gz ACYOAOIEJFZWQZ-AWEZNQCLSA-N 1 0 394.317 2.736 20 0 GFADRO [NH3+]C1(CNC(=O)c2cc(F)ccc2I)CCCCC1 ZINC000269105318 654997947 /nfs/dbraw/zinc/99/79/47/654997947.db2.gz IJZOUJCFKGFXEH-UHFFFAOYSA-N 1 0 376.213 2.822 20 0 GFADRO C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCN(C(=O)c3ccc(Cl)c(Cl)c3)C2)C1 ZINC000269124382 654998717 /nfs/dbraw/zinc/99/87/17/654998717.db2.gz LHCCKAWQODWFFQ-UONOGXRCSA-N 1 0 384.307 2.666 20 0 GFADRO CCOc1c(Br)cc(Br)cc1C[NH2+]C[C@H](O)COC ZINC000071270888 654999780 /nfs/dbraw/zinc/99/97/80/654999780.db2.gz BYEXPGSEQHCVBF-NSHDSACASA-N 1 0 397.107 2.707 20 0 GFADRO CCCN(CC(=O)Nc1ccc(Cl)cc1Cl)C(=O)C[C@@H]1C[NH2+]CCO1 ZINC000269181250 655000932 /nfs/dbraw/zinc/00/09/32/655000932.db2.gz ADRRNBZAZAYWJK-CYBMUJFWSA-N 1 0 388.295 2.549 20 0 GFADRO CCCC[C@H](C[NH3+])NC(=O)[C@H](C)Sc1ccccc1S(=O)(=O)CCC ZINC000269187860 655001147 /nfs/dbraw/zinc/00/11/47/655001147.db2.gz HDVWADIEHMCPMR-LSDHHAIUSA-N 1 0 386.583 2.985 20 0 GFADRO CC[N@H+](C)CCNC(=O)N[C@@H](C)c1nc(-c2ccc(Br)cc2)no1 ZINC000135017809 655007583 /nfs/dbraw/zinc/00/75/83/655007583.db2.gz XLWKNWQGJPVTMO-NSHDSACASA-N 1 0 396.289 2.811 20 0 GFADRO [NH3+]C[C@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(Br)cc1Cl ZINC000091323974 655008608 /nfs/dbraw/zinc/00/86/08/655008608.db2.gz CQDMOFWJAYPKOY-BXKDBHETSA-N 1 0 381.723 2.898 20 0 GFADRO C[C@H]([NH2+]CC1(c2cccc(Br)c2)CCCC1)C(=O)N1CCNC1=O ZINC000135125330 655010212 /nfs/dbraw/zinc/01/02/12/655010212.db2.gz RRCLGIVXSSCODE-ZDUSSCGKSA-N 1 0 394.313 2.791 20 0 GFADRO CS(=O)(=O)N1CCC([NH2+]Cc2ccc(Br)cc2Cl)CC1 ZINC000135142855 655010470 /nfs/dbraw/zinc/01/04/70/655010470.db2.gz GQHFTGGSUSGJRV-UHFFFAOYSA-N 1 0 381.723 2.616 20 0 GFADRO CCC[C@@H](C)[C@@H]1CCC[N@@H+]1CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl ZINC000135348237 655014019 /nfs/dbraw/zinc/01/40/19/655014019.db2.gz DTAFDNHDEXRLHQ-WBMJQRKESA-N 1 0 387.933 2.827 20 0 GFADRO C[N@@H+]1CC[C@H](CNC(=O)NCCC[S@](C)=O)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000135440843 655016819 /nfs/dbraw/zinc/01/68/19/655016819.db2.gz GRVOLZPZEWMWCT-BSEWSNTLSA-N 1 0 389.924 2.540 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@H](NC(=O)c2cn(-c3ccc(Br)cc3)cn2)C1 ZINC000093987473 655025767 /nfs/dbraw/zinc/02/57/67/655025767.db2.gz MHMIDFFHPDOXBW-DZGCQCFKSA-N 1 0 377.286 2.847 20 0 GFADRO COCC[N@@H+]1CCCN(C(=O)Cc2c[nH]c3cccc(Br)c23)CC1 ZINC000270043020 655032289 /nfs/dbraw/zinc/03/22/89/655032289.db2.gz SPANWMGBBONINM-UHFFFAOYSA-N 1 0 394.313 2.654 20 0 GFADRO CN(CC1([NH+](C)C)CCC1)C(=O)c1csc(I)c1 ZINC000097933341 655038270 /nfs/dbraw/zinc/03/82/70/655038270.db2.gz YAVNUIMGGHIDAN-UHFFFAOYSA-N 1 0 378.279 2.909 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CNC(=S)NCc1cc(Br)ccc1OC ZINC000145411018 655045734 /nfs/dbraw/zinc/04/57/34/655045734.db2.gz VUANJUAUYIZONH-AWEZNQCLSA-N 1 0 386.359 2.906 20 0 GFADRO COc1ccc(Br)cc1C(=O)CCC(=O)NCC[N@H+](C)C(C)C ZINC000101955180 655049105 /nfs/dbraw/zinc/04/91/05/655049105.db2.gz ZGBZKYRLEPODOQ-UHFFFAOYSA-N 1 0 385.302 2.877 20 0 GFADRO COc1ccc(CNC(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)cc1Br ZINC000101983014 655049314 /nfs/dbraw/zinc/04/93/14/655049314.db2.gz ZOHLMYMXYSLLRI-CYBMUJFWSA-N 1 0 382.302 2.741 20 0 GFADRO CC(C)[N@H+](C)CCNC(=O)NC[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000101997497 655049578 /nfs/dbraw/zinc/04/95/78/655049578.db2.gz ZQAASYZVWIKKKZ-HNNXBMFYSA-N 1 0 397.361 2.915 20 0 GFADRO Cc1ccc(NC(=O)N2CCN(c3cc[nH+]cc3)CC2)c(Br)n1 ZINC000151276434 655049660 /nfs/dbraw/zinc/04/96/60/655049660.db2.gz MLMCMRYVKJCXIN-UHFFFAOYSA-N 1 0 376.258 2.902 20 0 GFADRO Cc1nccn1CC[NH+]1CCC(C(=O)Nc2ccc(Br)cn2)CC1 ZINC000270672762 655052665 /nfs/dbraw/zinc/05/26/65/655052665.db2.gz RUBCJWRNXIVKCS-UHFFFAOYSA-N 1 0 392.301 2.700 20 0 GFADRO Cc1cc(NC(=O)C[NH+]2CCC(CCC(N)=O)CC2)ccc1Br ZINC000270990945 655062741 /nfs/dbraw/zinc/06/27/41/655062741.db2.gz BIMIWFXZZVKNSR-UHFFFAOYSA-N 1 0 382.302 2.674 20 0 GFADRO Cc1nc(C(=O)NC[C@H](C2CC2)[NH+](C)C)nn1-c1c(Cl)cccc1Cl ZINC000102941433 655064503 /nfs/dbraw/zinc/06/45/03/655064503.db2.gz WHXZAEQEQYYZTH-CQSZACIVSA-N 1 0 382.295 2.953 20 0 GFADRO CN(CC[NH+]1CCCC1)C(=O)CSc1nncn1-c1cccc(Cl)c1 ZINC000103118089 655067115 /nfs/dbraw/zinc/06/71/15/655067115.db2.gz RTQBDWFYWUUOMW-UHFFFAOYSA-N 1 0 379.917 2.567 20 0 GFADRO CCC[N@@H+]1CC[C@@H](CNC(=O)Nc2cccc(S(=O)(=O)C(F)F)c2)C1 ZINC000103292103 655070748 /nfs/dbraw/zinc/07/07/48/655070748.db2.gz YGKZHOYMHSXVIL-LBPRGKRZSA-N 1 0 375.441 2.536 20 0 GFADRO C[C@H](NC(=O)C[NH+]1CCC(CCC(N)=O)CC1)c1ccc(Br)cc1 ZINC000271259055 655073371 /nfs/dbraw/zinc/07/33/71/655073371.db2.gz UKBCBNWYFTYWJY-ZDUSSCGKSA-N 1 0 396.329 2.604 20 0 GFADRO CC(C)C(=O)NC[C@@H]1CCC[N@H+](C[C@H](O)c2ccc(Br)cc2)C1 ZINC000103479919 655073420 /nfs/dbraw/zinc/07/34/20/655073420.db2.gz NICVNAPJYJKKOT-YOEHRIQHSA-N 1 0 383.330 2.967 20 0 GFADRO O=C(CC[N@@H+]1CCC[C@H]1C(=O)N1CCSCC1)Nc1cccc(Cl)c1 ZINC000104090886 655078285 /nfs/dbraw/zinc/07/82/85/655078285.db2.gz UZDNUHPUXZCTJI-INIZCTEOSA-N 1 0 381.929 2.708 20 0 GFADRO CCc1nc(C(=O)NC[C@H]2CC[N@H+](C)C2)nn1-c1c(Cl)cccc1Cl ZINC000104185683 655079274 /nfs/dbraw/zinc/07/92/74/655079274.db2.gz IBADEDJMPZBZMS-LLVKDONJSA-N 1 0 382.295 2.818 20 0 GFADRO COc1cc[nH+]c(N2CCN(C(=O)c3cccc(Br)c3)CC2)c1 ZINC000104515378 655081618 /nfs/dbraw/zinc/08/16/18/655081618.db2.gz GKQWNUFHNSCKOV-UHFFFAOYSA-N 1 0 376.254 2.815 20 0 GFADRO C[C@@H]([NH2+]CCSC(C)(C)C)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000271533237 655084258 /nfs/dbraw/zinc/08/42/58/655084258.db2.gz WZHZXRZEYVVTED-OAHLLOKOSA-N 1 0 386.583 2.890 20 0 GFADRO COc1cc([C@H](C)[NH2+]C[C@](C)(O)C(F)(F)F)ccc1S(=O)(=O)C(F)F ZINC000271596173 655087431 /nfs/dbraw/zinc/08/74/31/655087431.db2.gz YXFRDGGNIIQDBE-SDBXPKJASA-N 1 0 391.358 2.655 20 0 GFADRO CCOc1ccc(Br)cc1NC(=O)N(CCOC)CC[NH+](C)C ZINC000105036363 655088802 /nfs/dbraw/zinc/08/88/02/655088802.db2.gz UIBAZMCCDSZUKM-UHFFFAOYSA-N 1 0 388.306 2.890 20 0 GFADRO C[C@@H]([NH2+]CCc1nc(C(F)(F)F)cs1)c1cccc(S(N)(=O)=O)c1 ZINC000271661861 655090205 /nfs/dbraw/zinc/09/02/05/655090205.db2.gz HGUSPLAODFCKSQ-SECBINFHSA-N 1 0 379.429 2.703 20 0 GFADRO Brc1ccc(OCC[NH2+]Cc2cnc(N3CCOCC3)s2)cc1 ZINC000105461873 655093332 /nfs/dbraw/zinc/09/33/32/655093332.db2.gz CXMDMTPVKUDOPX-UHFFFAOYSA-N 1 0 398.326 2.911 20 0 GFADRO C[N@H+]1CC=C(CNC(=O)CNC(=O)c2sc3ccccc3c2Cl)CC1 ZINC000271821260 655095703 /nfs/dbraw/zinc/09/57/03/655095703.db2.gz MZMJBLLWQOXDOI-UHFFFAOYSA-N 1 0 377.897 2.663 20 0 GFADRO Cc1ccc(C[NH2+][C@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)c(Br)c1 ZINC000271824256 655095741 /nfs/dbraw/zinc/09/57/41/655095741.db2.gz ADNRQAZUVSBUEQ-HOCLYGCPSA-N 1 0 388.327 2.583 20 0 GFADRO CCOC(=O)[C@H]1CCC[N@H+](Cn2ccc(=O)c3cccc(Br)c32)C1 ZINC000105604227 655095877 /nfs/dbraw/zinc/09/58/77/655095877.db2.gz GCQCIRGRNWHORP-ZDUSSCGKSA-N 1 0 393.281 2.997 20 0 GFADRO C[N@H+]1CC=C(CNC(=O)CCNc2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000271927582 655098841 /nfs/dbraw/zinc/09/88/41/655098841.db2.gz LOFOBUROTXKTFD-UHFFFAOYSA-N 1 0 376.810 2.934 20 0 GFADRO O=S1(=O)CC[C@@]2(C1)C[C@@H]([NH2+]Cc1nc(-c3ccccc3)cs1)CCO2 ZINC000271962666 655099536 /nfs/dbraw/zinc/09/95/36/655099536.db2.gz GGEZKKVGVKMICA-YJBOKZPZSA-N 1 0 378.519 2.636 20 0 GFADRO O=S1(=O)CC[C@@]2(C1)C[C@@H]([NH2+]Cc1ccc(CSC(F)F)o1)CCO2 ZINC000271985352 655100284 /nfs/dbraw/zinc/10/02/84/655100284.db2.gz KFDYNBIAGSTTBW-NHYWBVRUSA-N 1 0 381.466 2.561 20 0 GFADRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)CNC(=O)c1ccc(Cl)c(Cl)c1 ZINC000272126679 655103291 /nfs/dbraw/zinc/10/32/91/655103291.db2.gz AMIPABVGKZBUCA-LBPRGKRZSA-N 1 0 386.323 2.912 20 0 GFADRO Cc1c(C(=O)N2CCC[N@@H+](C)CC2)cnn1-c1cccc(Br)c1 ZINC000106294448 655105766 /nfs/dbraw/zinc/10/57/66/655105766.db2.gz CFGLCDVZRXDKPT-UHFFFAOYSA-N 1 0 377.286 2.721 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)N1CC[C@H]([C@H](C)[NH3+])C1 ZINC000272240004 655106612 /nfs/dbraw/zinc/10/66/12/655106612.db2.gz KQPZQERISWZTRQ-ZNMIVQPWSA-N 1 0 384.567 2.547 20 0 GFADRO Brc1cc(C[NH2+]C[C@H]2CN(C3CC3)CCO2)cc2c1OCCCO2 ZINC000106379435 655107442 /nfs/dbraw/zinc/10/74/42/655107442.db2.gz PYMUJZMAYHWDOP-HNNXBMFYSA-N 1 0 397.313 2.563 20 0 GFADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)Nc3cccc(I)c3)[C@H]2C1 ZINC000272287795 655107995 /nfs/dbraw/zinc/10/79/95/655107995.db2.gz NRHRZJOYQPJKQM-RISCZKNCSA-N 1 0 385.249 2.849 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)c2ccc(I)cc2Cl)C1 ZINC000272287878 655108058 /nfs/dbraw/zinc/10/80/58/655108058.db2.gz PCLNAYQXFYKZJS-RKDXNWHRSA-N 1 0 378.641 2.754 20 0 GFADRO O=C(CNC(=O)c1ccc(Cl)c(Cl)c1)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000106790836 655111237 /nfs/dbraw/zinc/11/12/37/655111237.db2.gz WKSSDZCTZZCQCY-CYBMUJFWSA-N 1 0 384.307 2.856 20 0 GFADRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)c1cnn(-c2cccc(Br)c2)c1 ZINC000106926867 655115045 /nfs/dbraw/zinc/11/50/45/655115045.db2.gz POAQLGQBOXYGJD-ZDUSSCGKSA-N 1 0 389.297 2.849 20 0 GFADRO CC(C)(O)C(C)(C)[NH2+]Cc1nnnn1-c1ccc(Cl)cc1C(F)(F)F ZINC000272580681 655116764 /nfs/dbraw/zinc/11/67/64/655116764.db2.gz LDVVJWLCDWEYKW-UHFFFAOYSA-N 1 0 377.798 2.974 20 0 GFADRO Cc1c(I)cccc1C(=O)N[C@H](C)C1=CC[N@H+](C)CC1 ZINC000272676091 655118692 /nfs/dbraw/zinc/11/86/92/655118692.db2.gz JZDUEPNHGZSIPN-GFCCVEGCSA-N 1 0 384.261 2.980 20 0 GFADRO O=S1(=O)CC[C@]2(C1)C[C@@H]([NH2+]Cc1ccc(SC(F)F)cc1)CCO2 ZINC000272690275 655119335 /nfs/dbraw/zinc/11/93/35/655119335.db2.gz DFBXVHJSTLFXPB-XJKSGUPXSA-N 1 0 377.478 2.827 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)CNC(=O)c1c(F)cccc1Cl)c1cccs1 ZINC000107341968 655119991 /nfs/dbraw/zinc/11/99/91/655119991.db2.gz YFRZSVBSMRJOLF-CYBMUJFWSA-N 1 0 383.876 2.690 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)NCC[N@H+](C)C(C)C ZINC000107351063 655120109 /nfs/dbraw/zinc/12/01/09/655120109.db2.gz UQJLTLIMJQDSPK-HNNXBMFYSA-N 1 0 386.583 2.807 20 0 GFADRO O=S(=O)(C(F)F)N1CCC(C[NH2+]Cc2cc(Cl)cc3c2OCC3)CC1 ZINC000272782988 655121369 /nfs/dbraw/zinc/12/13/69/655121369.db2.gz AVRNILIYXQEKSF-UHFFFAOYSA-N 1 0 394.871 2.629 20 0 GFADRO CCC[NH+]1CCC(NC(=O)c2csc(I)c2)CC1 ZINC000107538961 655122108 /nfs/dbraw/zinc/12/21/08/655122108.db2.gz RHJFPROGWSHAAQ-UHFFFAOYSA-N 1 0 378.279 2.957 20 0 GFADRO Cc1cc(Br)oc1C(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000272904400 655124914 /nfs/dbraw/zinc/12/49/14/655124914.db2.gz YIHZONIZAHYLAH-HNNXBMFYSA-N 1 0 393.281 2.847 20 0 GFADRO CN(C)C(=O)c1cccc(C[NH2+][C@@H](CO)c2ccc(Br)cc2)c1 ZINC000273046020 655128563 /nfs/dbraw/zinc/12/85/63/655128563.db2.gz DOKVSQLASKSBRZ-KRWDZBQOSA-N 1 0 377.282 2.974 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)c1sccc1S(=O)(=O)C(F)F)C1CCCCC1 ZINC000108258268 655129790 /nfs/dbraw/zinc/12/97/90/655129790.db2.gz SPPIGIQEQSDLMU-GFCCVEGCSA-N 1 0 394.509 2.985 20 0 GFADRO C[N@@H+]1CCC[C@H](CNC(=O)COc2ccc(Br)cc2Cl)C1 ZINC000108327340 655131368 /nfs/dbraw/zinc/13/13/68/655131368.db2.gz ACPSNZFDLQSIDI-LLVKDONJSA-N 1 0 375.694 2.939 20 0 GFADRO C[N@@H+]1CCC[C@H](CNC(=O)c2ccn(-c3cccc(Br)c3)n2)C1 ZINC000108344459 655131704 /nfs/dbraw/zinc/13/17/04/655131704.db2.gz AJSMTVDJGVQUQY-CYBMUJFWSA-N 1 0 377.286 2.706 20 0 GFADRO COC(=O)[C@@H]1CCCCC[C@@H]1[NH2+]Cc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000162539414 655132570 /nfs/dbraw/zinc/13/25/70/655132570.db2.gz UWXJJDJDGVSLMD-CABCVRRESA-N 1 0 375.437 2.894 20 0 GFADRO C[N@H+](CCCCNC(=O)c1ccccc1S(=O)(=O)C(F)(F)F)C1CC1 ZINC000839438869 661084101 /nfs/dbraw/zinc/08/41/01/661084101.db2.gz FWTHQIRPJIRJRT-UHFFFAOYSA-N 1 0 378.416 2.584 20 0 GFADRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(-n2cc(Br)cn2)cc1 ZINC000108784745 655137743 /nfs/dbraw/zinc/13/77/43/655137743.db2.gz KRGLDHSPLLLJLA-ZDUSSCGKSA-N 1 0 389.297 2.849 20 0 GFADRO C[N@@H+]1CCC[C@H]1C(=O)NCC1(c2cccc(Br)c2)CCOCC1 ZINC000109089670 655142019 /nfs/dbraw/zinc/14/20/19/655142019.db2.gz QTRRMQGVOWXCHU-INIZCTEOSA-N 1 0 381.314 2.708 20 0 GFADRO O=S(=O)(Cc1ccccc1C[NH2+]Cc1ccc(Cl)nc1)N1CCCC1 ZINC000169219969 655143479 /nfs/dbraw/zinc/14/34/79/655143479.db2.gz MXKNKIYCEYMELX-UHFFFAOYSA-N 1 0 379.913 2.950 20 0 GFADRO COC(=O)c1cc(C[NH2+]CCc2cn3cc(Br)cc(C)c3n2)c[nH]1 ZINC000273543095 655147239 /nfs/dbraw/zinc/14/72/39/655147239.db2.gz XIHPDUAMBVYNQY-UHFFFAOYSA-N 1 0 391.269 2.852 20 0 GFADRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cnc3ccc(Br)cn23)[C@@]12CCCO2 ZINC000273599801 655150475 /nfs/dbraw/zinc/15/04/75/655150475.db2.gz LPVCWBYLTLTODD-INMHGKMJSA-N 1 0 380.286 2.913 20 0 GFADRO C[NH+](C)[C@@H]1CCCN(Cc2nc(Cc3cccc(Br)c3)no2)C1 ZINC000109811608 655152341 /nfs/dbraw/zinc/15/23/41/655152341.db2.gz PMUGNVOCBCSFEV-OAHLLOKOSA-N 1 0 379.302 2.949 20 0 GFADRO Cn1nc(Br)c2c1ncnc2NC[C@@H](Cc1ccccc1)[NH+](C)C ZINC000110848329 655160535 /nfs/dbraw/zinc/16/05/35/655160535.db2.gz YNMATROBTQGPSS-CYBMUJFWSA-N 1 0 389.301 2.711 20 0 GFADRO C[C@@H]1C[C@H]([NH2+][C@@H](CO)c2ccccc2I)C[C@H](C)O1 ZINC000934827778 664925369 /nfs/dbraw/zinc/92/53/69/664925369.db2.gz JCGSBKXRVAPQAY-YFCNSXCBSA-N 1 0 375.250 2.870 20 0 GFADRO O=C(CC[N@@H+]1CC[C@@H](NC(=O)NC2CC2)C1)Nc1cc(Cl)ccc1Cl ZINC000273943444 655165415 /nfs/dbraw/zinc/16/54/15/655165415.db2.gz GRYZRFGKAYCEMK-CYBMUJFWSA-N 1 0 385.295 2.858 20 0 GFADRO Ic1ccccc1-c1nc([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)no1 ZINC000274064341 655171473 /nfs/dbraw/zinc/17/14/73/655171473.db2.gz RTVJLICJKIMZPM-MFKMUULPSA-N 1 0 397.216 2.877 20 0 GFADRO CC(C)COC[C@H](O)C[NH2+]Cc1nc(-c2cccc(Br)c2)c[nH]1 ZINC000111383599 655172249 /nfs/dbraw/zinc/17/22/49/655172249.db2.gz SFFTYKIETBKFKG-OAHLLOKOSA-N 1 0 382.302 2.962 20 0 GFADRO C[C@@H](C[NH+]1CCCCC1)NC(=O)COc1ccc(C=O)cc1Br ZINC000173458213 655173167 /nfs/dbraw/zinc/17/31/67/655173167.db2.gz YWMOEMZPNMMRRO-ZDUSSCGKSA-N 1 0 383.286 2.631 20 0 GFADRO Brc1cc(-c2nc([C@@H]3C[N@@H+]4CCC[C@@H]4CO3)no2)cc2c1OCO2 ZINC000274113372 655173795 /nfs/dbraw/zinc/17/37/95/655173795.db2.gz VURTUPDQPLSPFG-MFKMUULPSA-N 1 0 394.225 2.764 20 0 GFADRO O=C(NCCc1nc(C(F)(F)F)cs1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000173551952 655174603 /nfs/dbraw/zinc/17/46/03/655174603.db2.gz IDNLBHHBUYLMOU-LBPRGKRZSA-N 1 0 376.448 2.974 20 0 GFADRO CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)Nc2ccc(C)cc2Br)C1 ZINC000173708544 655177093 /nfs/dbraw/zinc/17/70/93/655177093.db2.gz UPQBUEJLAZDOED-ZDUSSCGKSA-N 1 0 382.302 2.639 20 0 GFADRO CC(C)(C[NH2+]C1CC(c2ccc(Br)cc2)C1)NS(C)(=O)=O ZINC000111772748 655177233 /nfs/dbraw/zinc/17/72/33/655177233.db2.gz YALMLNJWRQMFBL-UHFFFAOYSA-N 1 0 375.332 2.613 20 0 GFADRO Cn1cc(CC[NH2+]Cc2cc(Br)cc(Br)c2N)cn1 ZINC000274177624 655177584 /nfs/dbraw/zinc/17/75/84/655177584.db2.gz DJSTWKKCJFKVTB-UHFFFAOYSA-N 1 0 388.107 2.860 20 0 GFADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)N(C)CCc1ccc(Br)cc1 ZINC000111866212 655178570 /nfs/dbraw/zinc/17/85/70/655178570.db2.gz FDYCHAALNSIKJF-QGZVFWFLSA-N 1 0 398.345 2.744 20 0 GFADRO COc1c(Br)cc(Br)cc1CN1CC[NH+](C)CC1 ZINC000112126480 655182793 /nfs/dbraw/zinc/18/27/93/655182793.db2.gz WLLTXMLTTRMNAE-UHFFFAOYSA-N 1 0 378.108 2.968 20 0 GFADRO CC[C@H]1C[N@H+](CCC(=O)Nc2sc3c(c2C(N)=O)CCCC3)CCS1 ZINC000173928888 655186230 /nfs/dbraw/zinc/18/62/30/655186230.db2.gz ZCOCONNUOSKBQA-LBPRGKRZSA-N 1 0 381.567 2.882 20 0 GFADRO C[NH+](C)CCn1ccc(NC(=O)NC[C@H](O)c2cc(Cl)cc(Cl)c2)n1 ZINC000173934280 655186752 /nfs/dbraw/zinc/18/67/52/655186752.db2.gz UWSAQKSYQSSNRD-AWEZNQCLSA-N 1 0 386.283 2.607 20 0 GFADRO CN(C)C(=O)[C@@H]1CC[N@H+](C[C@](C)(O)c2ccc(Br)cc2Cl)C1 ZINC000839636394 661097429 /nfs/dbraw/zinc/09/74/29/661097429.db2.gz QSNAGYYJVWQDTD-BZNIZROVSA-N 1 0 389.721 2.720 20 0 GFADRO NC(=O)[C@@H]1C[N@H+](C[C@@H](O)c2ccccc2Br)C[C@H]1c1ccccc1 ZINC000839640187 661098037 /nfs/dbraw/zinc/09/80/37/661098037.db2.gz HQCYUEVWZLPYSE-LZLYRXPVSA-N 1 0 389.293 2.683 20 0 GFADRO CC[N@H+](CCC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1Cl)CC1CC1 ZINC000112983361 655200834 /nfs/dbraw/zinc/20/08/34/655200834.db2.gz YBTXCQZXBPNYGY-UHFFFAOYSA-N 1 0 387.933 2.651 20 0 GFADRO C[NH+](C)CCNC(=O)c1cccc(CNc2cc(Br)ccn2)c1 ZINC000274823642 655203318 /nfs/dbraw/zinc/20/33/18/655203318.db2.gz PYTVWWJERZSULF-UHFFFAOYSA-N 1 0 377.286 2.748 20 0 GFADRO Cc1cc(Br)cc(NC(=O)N[C@@H](C)CC[NH+]2CCN(C)CC2)c1 ZINC000274958294 655208901 /nfs/dbraw/zinc/20/89/01/655208901.db2.gz GGWJQXHMOFATSN-AWEZNQCLSA-N 1 0 383.334 2.905 20 0 GFADRO C[C@H]1C[NH+](CCCNC(=O)Cc2ccc(Br)s2)C[C@H](C)O1 ZINC000114315895 655221383 /nfs/dbraw/zinc/22/13/83/655221383.db2.gz TYFOWUBNZZJFKR-RYUDHWBXSA-N 1 0 375.332 2.669 20 0 GFADRO C[C@H](CNC(=O)c1cnc(-c2ccccc2Cl)s1)N1CC[NH+](C)CC1 ZINC000114385275 655223035 /nfs/dbraw/zinc/22/30/35/655223035.db2.gz XWZGNSZWPWTQKI-CYBMUJFWSA-N 1 0 378.929 2.829 20 0 GFADRO COCCOCC[NH+]1CCC(C(=O)Nc2ccccc2Br)CC1 ZINC000175628226 655224277 /nfs/dbraw/zinc/22/42/77/655224277.db2.gz IQPZMKRIPPAQPS-UHFFFAOYSA-N 1 0 385.302 2.763 20 0 GFADRO CC(C)C[C@H](CNC(=O)C(=O)Nc1nc(-c2cccs2)cs1)[NH+](C)C ZINC000175830552 655227543 /nfs/dbraw/zinc/22/75/43/655227543.db2.gz VJWSGHJQEAKQTE-GFCCVEGCSA-N 1 0 380.539 2.903 20 0 GFADRO CC(=O)NC1CCC([NH2+]Cc2cn(-c3ccccc3Br)nn2)CC1 ZINC000275295644 655227703 /nfs/dbraw/zinc/22/77/03/655227703.db2.gz HFWRRTJIXNHRRN-UHFFFAOYSA-N 1 0 392.301 2.567 20 0 GFADRO CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)Nc1c(F)cccc1Br ZINC000176087442 655234885 /nfs/dbraw/zinc/23/48/85/655234885.db2.gz PCYCOZWEFONYJP-NSHDSACASA-N 1 0 386.265 2.517 20 0 GFADRO CC(C)(C)CC[NH+]1CCN(C(=O)c2cc(I)c[nH]2)CC1 ZINC000115341771 655235642 /nfs/dbraw/zinc/23/56/42/655235642.db2.gz JLXXEJWFICFEHV-UHFFFAOYSA-N 1 0 389.281 2.813 20 0 GFADRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)c1cc(I)c[nH]1 ZINC000115385590 655236510 /nfs/dbraw/zinc/23/65/10/655236510.db2.gz MEHBGZJJFFSPMR-LBPRGKRZSA-N 1 0 375.254 2.614 20 0 GFADRO Cn1cncc1[C@@H]1C[C@H]([NH2+]Cc2cc3c(c(Br)c2)OCO3)CCO1 ZINC000275525159 655240275 /nfs/dbraw/zinc/24/02/75/655240275.db2.gz LJRSRRQHWJIQNV-DOMZBBRYSA-N 1 0 394.269 2.921 20 0 GFADRO C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)c2c[nH+]ccc2N)CC1 ZINC000275600769 655243519 /nfs/dbraw/zinc/24/35/19/655243519.db2.gz FVJYULLRYZSYES-CYBMUJFWSA-N 1 0 389.297 2.945 20 0 GFADRO CNc1cc(I)ccc1C(=O)NCC[N@@H+]1CCC[C@H]1C ZINC000839727535 661102787 /nfs/dbraw/zinc/10/27/87/661102787.db2.gz FZDBVSGDFUSKLZ-LLVKDONJSA-N 1 0 387.265 2.547 20 0 GFADRO C[NH+](C)CCN(Cc1cccs1)C(=O)NCc1ccc([S@@](C)=O)cc1 ZINC000176584214 655249804 /nfs/dbraw/zinc/24/98/04/655249804.db2.gz UNPFFQLYZAELIF-RUZDIDTESA-N 1 0 379.551 2.759 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H](NC(=O)[C@H]2CCCN2C(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000275757960 655249849 /nfs/dbraw/zinc/24/98/49/655249849.db2.gz MAUBREHBCXCHNK-XJKCOSOUSA-N 1 0 384.307 2.984 20 0 GFADRO O=C(N[C@@H]1CCc2cc(Br)ccc21)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000275762510 655250096 /nfs/dbraw/zinc/25/00/96/655250096.db2.gz XASGNANTGYGSCY-GDBMZVCRSA-N 1 0 389.297 2.987 20 0 GFADRO O=C(C1CC[NH+]([C@@H]2CCSC2)CC1)N1CC(O)(c2ccc(Cl)cc2)C1 ZINC000839759277 661105127 /nfs/dbraw/zinc/10/51/27/661105127.db2.gz MPPQVYGQJFXTJW-QGZVFWFLSA-N 1 0 380.941 2.587 20 0 GFADRO CCO[C@@H](CC[NH+](C)C)CNC(=O)c1cc(Br)cnc1Cl ZINC000176902454 655259925 /nfs/dbraw/zinc/25/99/25/655259925.db2.gz ZLCGHCWZGBFIGN-NSHDSACASA-N 1 0 378.698 2.584 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)C(=O)N[C@@H](C)C1=CC[N@H+](C)CC1 ZINC000276044161 655260076 /nfs/dbraw/zinc/26/00/76/655260076.db2.gz JMHFJVYVFZRMMZ-LBPRGKRZSA-N 1 0 394.313 2.717 20 0 GFADRO Cc1cccc(CNC(=O)NCC2(O)CC[NH+](C(C)C)CC2)c1Br ZINC000276065252 655260645 /nfs/dbraw/zinc/26/06/45/655260645.db2.gz CGGBCTKSKULSQR-UHFFFAOYSA-N 1 0 398.345 2.792 20 0 GFADRO Cc1c(Br)cccc1NC(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000176955963 655263776 /nfs/dbraw/zinc/26/37/76/655263776.db2.gz ZVVWYSWWRVBJID-CQSZACIVSA-N 1 0 382.302 2.944 20 0 GFADRO CC[NH+]1CCC(NC(=O)c2scc(C)c2I)CC1 ZINC000276171655 655265764 /nfs/dbraw/zinc/26/57/64/655265764.db2.gz VPSRBPKSIGUZOW-UHFFFAOYSA-N 1 0 378.279 2.875 20 0 GFADRO C[C@H]1C[C@H](NC(=O)c2csc(I)c2)C[N@@H+]1C1CC1 ZINC000177048288 655266212 /nfs/dbraw/zinc/26/62/12/655266212.db2.gz WRXDWDKLTMVWPN-WPRPVWTQSA-N 1 0 376.263 2.708 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CNC(=O)c1nn(-c2ccc(F)cc2)cc1Br ZINC000117746268 655267712 /nfs/dbraw/zinc/26/77/12/655267712.db2.gz DFBVVMYXVRGQLG-AWEZNQCLSA-N 1 0 395.276 2.988 20 0 GFADRO CC(C)[NH+]1CCC(C(=O)NC[C@H](O)COc2cccc(Cl)c2Cl)CC1 ZINC000177113835 655269037 /nfs/dbraw/zinc/26/90/37/655269037.db2.gz TZLUPZLXSFVPMR-AWEZNQCLSA-N 1 0 389.323 2.970 20 0 GFADRO C[C@@H](Oc1cc(Cl)cc(Cl)c1)C(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000177122175 655269325 /nfs/dbraw/zinc/26/93/25/655269325.db2.gz IQQHPFLOOXMSED-CYBMUJFWSA-N 1 0 388.339 2.903 20 0 GFADRO O=C(CS(=O)(=O)c1ccc(Cl)cc1)NC1CC[NH+](C2CCCC2)CC1 ZINC000177433444 655276627 /nfs/dbraw/zinc/27/66/27/655276627.db2.gz IGXSVKVRGVKIGG-UHFFFAOYSA-N 1 0 384.929 2.637 20 0 GFADRO Cc1cc(F)c(Br)cc1NC(=O)N1CCC([N@H+](C)CCO)CC1 ZINC000276480425 655276716 /nfs/dbraw/zinc/27/67/16/655276716.db2.gz OSYAPCUGVYCJRF-UHFFFAOYSA-N 1 0 388.281 2.817 20 0 GFADRO COCCN(C)c1ccc(C[NH2+][C@@H](CO)c2ccc(Br)cc2)cn1 ZINC000276643380 655282133 /nfs/dbraw/zinc/28/21/33/655282133.db2.gz RKAAQTRMRXUCEG-KRWDZBQOSA-N 1 0 394.313 2.750 20 0 GFADRO COc1cc(Br)c(NC(=O)N2CC[C@H](C[NH+](C)C)C2)cc1OC ZINC000118810760 655282442 /nfs/dbraw/zinc/28/24/42/655282442.db2.gz APZSMHHBCOAFJB-LLVKDONJSA-N 1 0 386.290 2.882 20 0 GFADRO Cc1csc(C(=O)NCC2(O)CC[NH+](C(C)C)CC2)c1Br ZINC000276837867 655289601 /nfs/dbraw/zinc/28/96/01/655289601.db2.gz BWWBJGDYIARKQQ-UHFFFAOYSA-N 1 0 375.332 2.784 20 0 GFADRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)Cc1cccc(I)c1 ZINC000119094997 655289794 /nfs/dbraw/zinc/28/97/94/655289794.db2.gz TVOLPFKEXHLTHT-WFASDCNBSA-N 1 0 386.277 2.632 20 0 GFADRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1c(F)cccc1I ZINC000119097711 655289821 /nfs/dbraw/zinc/28/98/21/655289821.db2.gz YUIUHYUCPSLFEL-MFKMUULPSA-N 1 0 390.240 2.843 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)[C@]1(C)CCC[NH2+]C1 ZINC000119119894 655291274 /nfs/dbraw/zinc/29/12/74/655291274.db2.gz WGVOWBSUTAQAOD-QGZVFWFLSA-N 1 0 382.302 2.592 20 0 GFADRO O=C(c1ccc(Br)cc1Cl)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000178086689 655297127 /nfs/dbraw/zinc/29/71/27/655297127.db2.gz YWFAQTFTVKVGGM-LBPRGKRZSA-N 1 0 387.705 2.897 20 0 GFADRO O=S(=O)(N1CCC(C[NH2+][C@@H]2CCc3cc(F)ccc32)CC1)C(F)(F)F ZINC000178106544 655298001 /nfs/dbraw/zinc/29/80/01/655298001.db2.gz KVCKXLSWTWWION-OAHLLOKOSA-N 1 0 380.407 2.964 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)Cc2ccccc2I)C1 ZINC000119313183 655298229 /nfs/dbraw/zinc/29/82/29/655298229.db2.gz RANOQLZCUASRFU-ZIAGYGMSSA-N 1 0 386.277 2.823 20 0 GFADRO C[NH+](C)[C@@H]1CCCN(S(=O)(=O)c2ccc(OCC(F)(F)F)cc2)CC1 ZINC000277016360 655298365 /nfs/dbraw/zinc/29/83/65/655298365.db2.gz MCMQNHUITOWZAZ-CYBMUJFWSA-N 1 0 380.432 2.733 20 0 GFADRO C[NH+](C)CCN(Cc1ccco1)S(=O)(=O)c1ccc(Br)s1 ZINC000119360494 655300620 /nfs/dbraw/zinc/30/06/20/655300620.db2.gz XZECMOGAXVUSSI-UHFFFAOYSA-N 1 0 393.328 2.856 20 0 GFADRO CCCS(=O)(=O)CC[NH2+]C1(c2ccc(Br)cc2)CCOCC1 ZINC000178513261 655304180 /nfs/dbraw/zinc/30/41/80/655304180.db2.gz HOZRRGHDBSLHCI-UHFFFAOYSA-N 1 0 390.343 2.869 20 0 GFADRO O=C(NCC[NH+]1CCCCC1)C(=O)Nc1ccc(C(F)(F)F)cc1Cl ZINC000119575534 655307682 /nfs/dbraw/zinc/30/76/82/655307682.db2.gz NMCMUAWRUNGQHE-UHFFFAOYSA-N 1 0 377.794 2.899 20 0 GFADRO C[C@H]([NH2+]CCC(=O)N1CCN(C)CC1)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000178671432 655307840 /nfs/dbraw/zinc/30/78/40/655307840.db2.gz BCZJCOYREYHBAJ-KBPBESRZSA-N 1 0 388.339 2.903 20 0 GFADRO CN1CCN(C(=O)CC[NH2+][C@@H]2CCCOc3c(Cl)c(Cl)ccc32)CC1 ZINC000178673963 655307981 /nfs/dbraw/zinc/30/79/81/655307981.db2.gz YKBRKRFNXXEDQL-OAHLLOKOSA-N 1 0 386.323 2.961 20 0 GFADRO COC(=O)C[C@@H]1CCC[N@@H+]1Cn1ccc(=O)c2cccc(Br)c21 ZINC000178774820 655309701 /nfs/dbraw/zinc/30/97/01/655309701.db2.gz VGMWGJKSPSJGQP-LBPRGKRZSA-N 1 0 379.254 2.749 20 0 GFADRO NS(=O)(=O)c1ccc(CC[NH2+][C@H]2CCc3cc(Br)ccc32)cc1 ZINC000119718664 655312286 /nfs/dbraw/zinc/31/22/86/655312286.db2.gz AXDWCMBZNJPNQJ-KRWDZBQOSA-N 1 0 395.322 2.916 20 0 GFADRO C[NH+](C)[C@H]1CCCN(C(=O)c2ccc(Br)cc2-n2cncn2)CC1 ZINC000277328256 655313114 /nfs/dbraw/zinc/31/31/14/655313114.db2.gz RNYFDFZVCKQUGZ-AWEZNQCLSA-N 1 0 392.301 2.586 20 0 GFADRO C[NH+](C)[C@@H]1CCCN(C(=O)Cc2ccc(I)cc2)CC1 ZINC000277348835 655314140 /nfs/dbraw/zinc/31/41/40/655314140.db2.gz TZHWVINGVLGAGP-OAHLLOKOSA-N 1 0 386.277 2.776 20 0 GFADRO C[C@H](CNS(=O)(=O)Cc1ccc(Br)cc1)C[NH+]1CCCC1 ZINC000119777851 655314813 /nfs/dbraw/zinc/31/48/13/655314813.db2.gz NQAMSPPAKXQMFL-CYBMUJFWSA-N 1 0 375.332 2.600 20 0 GFADRO C[C@@H]1COCC[C@H]1[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000277404133 655317306 /nfs/dbraw/zinc/31/73/06/655317306.db2.gz JFURUYSHFWMLEH-MPKXVKKWSA-N 1 0 378.694 2.857 20 0 GFADRO O=C(CC[N@@H+]1CCC[C@@H](Cn2ccnn2)C1)Nc1ccc(Br)cc1 ZINC000119858594 655318546 /nfs/dbraw/zinc/31/85/46/655318546.db2.gz UHRWCUBMVANRIV-CQSZACIVSA-N 1 0 392.301 2.781 20 0 GFADRO C[C@H]1C[N@H+](CCCNC(=O)Nc2nnc(-c3ccsc3)s2)CCCO1 ZINC000277432155 655319163 /nfs/dbraw/zinc/31/91/63/655319163.db2.gz JNRLCVSZLVPXTO-LBPRGKRZSA-N 1 0 381.527 2.889 20 0 GFADRO C[C@H]([NH2+]C[C@@H](O)c1cc2ccccc2s1)c1ccc(S(N)(=O)=O)cc1 ZINC000180152467 655322849 /nfs/dbraw/zinc/32/28/49/655322849.db2.gz CWTPCSUBXHAEBS-BLLLJJGKSA-N 1 0 376.503 2.933 20 0 GFADRO CC(C)S(=O)(=O)CCC[NH2+][C@H]1CCCC[C@H]1CNC(=O)OC(C)(C)C ZINC000120059906 655326289 /nfs/dbraw/zinc/32/62/89/655326289.db2.gz COLNPFLGCVNSFL-HOTGVXAUSA-N 1 0 376.563 2.873 20 0 GFADRO CC(C)S(=O)(=O)CCC[NH2+][C@@H]1CCCC[C@H]1CNC(=O)OC(C)(C)C ZINC000120059739 655326408 /nfs/dbraw/zinc/32/64/08/655326408.db2.gz COLNPFLGCVNSFL-JKSUJKDBSA-N 1 0 376.563 2.873 20 0 GFADRO CC[C@@H](COC)[NH2+]Cc1cc(I)c(OC)c(OC)c1 ZINC000120195522 655330881 /nfs/dbraw/zinc/33/08/81/655330881.db2.gz SVZOVHODKWKQJJ-NSHDSACASA-N 1 0 379.238 2.823 20 0 GFADRO CC(C)(C)OC(=O)NC[C@H]1CCCC[C@@H]1[NH2+]CCS(=O)(=O)C(C)(C)C ZINC000180891489 655331141 /nfs/dbraw/zinc/33/11/41/655331141.db2.gz WZDHNOROFCTISD-CABCVRRESA-N 1 0 376.563 2.873 20 0 GFADRO CC(C)OCCCC[NH2+][C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000281125839 655332348 /nfs/dbraw/zinc/33/23/48/655332348.db2.gz MYBJUSANESNDFM-LBPRGKRZSA-N 1 0 393.347 2.952 20 0 GFADRO Cc1ccc(F)c(NC(=O)C(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)c1Br ZINC000281126096 655332373 /nfs/dbraw/zinc/33/23/73/655332373.db2.gz VSCQNUCZSKUHFS-NSHDSACASA-N 1 0 398.276 2.602 20 0 GFADRO C[C@H](CCc1ccc(OC(F)F)cc1)[NH2+]C1CCN(S(C)(=O)=O)CC1 ZINC000120295840 655334292 /nfs/dbraw/zinc/33/42/92/655334292.db2.gz ARCZMQQKQQLDLH-CYBMUJFWSA-N 1 0 376.469 2.623 20 0 GFADRO CC[N@@H+]1CCCC[C@H]1CNS(=O)(=O)Cc1ccc(Br)cc1 ZINC000120515421 655337718 /nfs/dbraw/zinc/33/77/18/655337718.db2.gz FCJXANDBZBPEQC-HNNXBMFYSA-N 1 0 375.332 2.743 20 0 GFADRO Cc1nc2ccc(Br)cn2c1C(=O)N1CCC[C@H]([NH+](C)C)CC1 ZINC000281818850 655338218 /nfs/dbraw/zinc/33/82/18/655338218.db2.gz LBSJAXQHBAZKLD-AWEZNQCLSA-N 1 0 379.302 2.962 20 0 GFADRO C[C@H]1C[C@@H](NC(=O)c2ccc(F)c(I)c2)C[N@@H+]1C1CC1 ZINC000120557546 655339065 /nfs/dbraw/zinc/33/90/65/655339065.db2.gz TUKVCRFXRWZXNH-GXSJLCMTSA-N 1 0 388.224 2.785 20 0 GFADRO O=S1(=O)CCC(C[NH2+]CC2=Cc3cc(Br)ccc3OC2)CC1 ZINC000120849607 655345383 /nfs/dbraw/zinc/34/53/83/655345383.db2.gz DMHSQFKDQMVAHV-UHFFFAOYSA-N 1 0 386.311 2.639 20 0 GFADRO C[C@H](CCNC(=O)NNC(=O)c1cccc(Br)c1)[NH+]1CCCCC1 ZINC000182713683 655346960 /nfs/dbraw/zinc/34/69/60/655346960.db2.gz DQDKAAZDHKVHIK-CYBMUJFWSA-N 1 0 397.317 2.658 20 0 GFADRO COc1ccc(C(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)nc1Br ZINC000182881305 655348124 /nfs/dbraw/zinc/34/81/24/655348124.db2.gz JZQRUETYZFCWRF-CQSZACIVSA-N 1 0 392.297 2.755 20 0 GFADRO C[C@H](CS(C)(=O)=O)[NH2+]CCN(C(=O)OC(C)(C)C)C1CCCCCC1 ZINC000183118704 655349070 /nfs/dbraw/zinc/34/90/70/655349070.db2.gz BYHWFIKYFCXFDG-OAHLLOKOSA-N 1 0 376.563 2.969 20 0 GFADRO Cc1cc(C(C)(C)NC(=O)NC[C@H]2C[N@@H+](C)CCN2C)ccc1Br ZINC000291064692 655350140 /nfs/dbraw/zinc/35/01/40/655350140.db2.gz RRDKZOHIOVSZID-HNNXBMFYSA-N 1 0 397.361 2.538 20 0 GFADRO CC(C)[C@H]1C[N@H+](C)CCN1CN1CC[C@H](c2cccc(Br)c2)C1=O ZINC000840007625 661124043 /nfs/dbraw/zinc/12/40/43/661124043.db2.gz PIQZPJIZVLTYRD-QZTJIDSGSA-N 1 0 394.357 2.995 20 0 GFADRO Cn1cc(Br)c(C(=O)Nc2cccc(C[NH+]3CCSCC3)c2)n1 ZINC000292632301 655352960 /nfs/dbraw/zinc/35/29/60/655352960.db2.gz ISNUOVOKKFWJBY-UHFFFAOYSA-N 1 0 395.326 2.984 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH2+]C[C@H]1CC[C@@H](CO)O1 ZINC000292838133 655354958 /nfs/dbraw/zinc/35/49/58/655354958.db2.gz YHCZMGKSUHFJCX-SJORKVTESA-N 1 0 394.313 2.881 20 0 GFADRO C[N@H+](CCCn1ccnc1)CN1CC[C@@H](c2cccc(Br)c2)C1=O ZINC000840024473 661125022 /nfs/dbraw/zinc/12/50/22/661125022.db2.gz BRAQTILHVIKOTR-KRWDZBQOSA-N 1 0 391.313 2.941 20 0 GFADRO O[C@H](C[NH2+][C@H]1CCOc2c(Br)cccc21)COCC(F)(F)F ZINC000292911103 655356890 /nfs/dbraw/zinc/35/68/90/655356890.db2.gz KTLYYUPWSDETRF-SKDRFNHKSA-N 1 0 384.192 2.802 20 0 GFADRO CN(Cc1cc(Br)cs1)C(=O)C[N@@H+]1CCC[C@H](CO)CC1 ZINC000293146967 655359357 /nfs/dbraw/zinc/35/93/57/655359357.db2.gz NWLFEBHFDGPJHL-LBPRGKRZSA-N 1 0 375.332 2.563 20 0 GFADRO Cc1cc(Br)c(C[NH2+]CCOCCS(C)(=O)=O)cc1Cl ZINC000295636744 655367113 /nfs/dbraw/zinc/36/71/13/655367113.db2.gz HYQMYLUFRROBFJ-UHFFFAOYSA-N 1 0 384.723 2.562 20 0 GFADRO Cn1ncc(Br)c1C(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000296147980 655368047 /nfs/dbraw/zinc/36/80/47/655368047.db2.gz TUSWNTHZDJRFEL-CYBMUJFWSA-N 1 0 385.693 2.869 20 0 GFADRO CC[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000296297834 655368398 /nfs/dbraw/zinc/36/83/98/655368398.db2.gz FTYGJWWDJPZPRY-UCMJJCQDSA-N 1 0 385.961 2.914 20 0 GFADRO CSc1ccccc1S(=O)(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000186980283 655372299 /nfs/dbraw/zinc/37/22/99/655372299.db2.gz KXIYQVFWMUFMBI-UHFFFAOYSA-N 1 0 377.535 2.961 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)c1coc(C[NH3+])c1 ZINC000187601983 655375734 /nfs/dbraw/zinc/37/57/34/655375734.db2.gz VNPGFNRDYHCDAU-UHFFFAOYSA-N 1 0 380.242 2.568 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)NCCCNC(=O)c1cccs1)c1ccsc1 ZINC000299476565 655376654 /nfs/dbraw/zinc/37/66/54/655376654.db2.gz BIFYYTPOXAAGES-CQSZACIVSA-N 1 0 380.539 2.532 20 0 GFADRO CS(=O)(=O)c1ccc([C@@H](O)C[NH2+]Cc2cccc(Br)c2)cc1 ZINC000314715626 655380511 /nfs/dbraw/zinc/38/05/11/655380511.db2.gz XIUXVFHOPHKDDD-INIZCTEOSA-N 1 0 384.295 2.676 20 0 GFADRO CC[NH+]1CCC(CNc2cnn(CC(F)(F)F)c(=O)c2Br)CC1 ZINC000323013998 655383408 /nfs/dbraw/zinc/38/34/08/655383408.db2.gz XMPFXCIZQQVOER-UHFFFAOYSA-N 1 0 397.239 2.712 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)c1cc([N+](=O)[O-])ncc1Br)c1cccs1 ZINC000323540691 655383743 /nfs/dbraw/zinc/38/37/43/655383743.db2.gz PROCWUIMBGPWIT-LLVKDONJSA-N 1 0 399.270 2.847 20 0 GFADRO [NH3+]CC[C@@H]1CN(Cc2cc(=O)n3cc(Br)ccc3n2)c2ccccc21 ZINC000327590314 655386314 /nfs/dbraw/zinc/38/63/14/655386314.db2.gz HTRQDMHIWJNJHM-CYBMUJFWSA-N 1 0 399.292 2.910 20 0 GFADRO O=C(c1cn(-c2ccc(Br)cc2)cn1)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000333816816 655388222 /nfs/dbraw/zinc/38/82/22/655388222.db2.gz KHAJDXNZCIVLHT-KRWDZBQOSA-N 1 0 375.270 2.603 20 0 GFADRO O=C1N[C@H](c2ccc(Br)cc2)C(=O)N1[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000349377715 655389762 /nfs/dbraw/zinc/38/97/62/655389762.db2.gz VOYUDKBQLPPLQF-RBSFLKMASA-N 1 0 378.270 2.669 20 0 GFADRO C[C@H](CN1C(=O)[C@H](c2cccc(Br)c2)N(C)C1=O)[N@H+](C)C1CC1 ZINC000349379386 655389789 /nfs/dbraw/zinc/38/97/89/655389789.db2.gz WXZACZYYYSAJHT-ABAIWWIYSA-N 1 0 380.286 2.867 20 0 GFADRO Cc1nc(-c2ccc(S(=O)(=O)N3C[C@@H]4CCC[C@H]([NH3+])[C@H]4C3)s2)cs1 ZINC000365698786 655395013 /nfs/dbraw/zinc/39/50/13/655395013.db2.gz BGIREGWHHFMGGC-AVGNSLFASA-N 1 0 383.564 2.928 20 0 GFADRO Cc1nc(-c2ccc(S(=O)(=O)N3C[C@@H]4CCC[C@@H]([NH3+])[C@@H]4C3)s2)cs1 ZINC000365698789 655395141 /nfs/dbraw/zinc/39/51/41/655395141.db2.gz BGIREGWHHFMGGC-YNEHKIRRSA-N 1 0 383.564 2.928 20 0 GFADRO COC[C@@H]([NH2+]C1CCC(N2CCCS2(=O)=O)CC1)c1ccc(Cl)cc1 ZINC000365891910 655395904 /nfs/dbraw/zinc/39/59/04/655395904.db2.gz YKFVQAQWWJJUNC-DAWZGUTISA-N 1 0 386.945 2.964 20 0 GFADRO C[NH+]1CCC(CNC(=O)c2nc(Br)ccc2Br)CC1 ZINC000190929572 655396037 /nfs/dbraw/zinc/39/60/37/655396037.db2.gz PNGKOSQXISPDPR-UHFFFAOYSA-N 1 0 391.107 2.678 20 0 GFADRO COCC[N@@H+]1CCC[C@@H](NC(=O)c2cccc(Br)c2Cl)C1 ZINC000398875197 655402589 /nfs/dbraw/zinc/40/25/89/655402589.db2.gz BMBYFSNQZZGBPI-LLVKDONJSA-N 1 0 375.694 2.943 20 0 GFADRO C[C@H](CCNC(=O)c1cc(Br)nn1C)[N@H+](C)Cc1ccccc1 ZINC000192144958 655402898 /nfs/dbraw/zinc/40/28/98/655402898.db2.gz PFKSTWJVDVYIAD-CYBMUJFWSA-N 1 0 379.302 2.823 20 0 GFADRO CN1CCO[C@H]([C@H](NC(=O)c2cncc(Cl)n2)c2ccc(Cl)cc2)C1 ZINC000192376416 655404983 /nfs/dbraw/zinc/40/49/83/655404983.db2.gz SVZSEZFZJKWCGW-GOEBONIOSA-N 1 0 381.263 2.585 20 0 GFADRO O=C(NC[C@H]1CCC[NH2+]C1)N[C@@H](CO)c1ccc(Cl)cc1C(F)(F)F ZINC000418326353 655405480 /nfs/dbraw/zinc/40/54/80/655405480.db2.gz XSVOCBCLUZFONE-HZMBPMFUSA-N 1 0 379.810 2.691 20 0 GFADRO CC[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000418343725 655405688 /nfs/dbraw/zinc/40/56/88/655405688.db2.gz APNGTPHQJHZCHW-SJORKVTESA-N 1 0 395.345 2.589 20 0 GFADRO C[C@H](NC(=O)C(=O)N1CC[C@]2(CCC[NH2+]2)C1)c1cc(F)c(Cl)cc1Cl ZINC000418827497 655405818 /nfs/dbraw/zinc/40/58/18/655405818.db2.gz CBPPLQGLNJVPQZ-DYZYQPBXSA-N 1 0 388.270 2.664 20 0 GFADRO [NH3+]C[C@@H](NC(=O)N(CCO)Cc1cccc(Br)c1)C1CCCCC1 ZINC000418353386 655405850 /nfs/dbraw/zinc/40/58/50/655405850.db2.gz CZURYHFDAKGALI-QGZVFWFLSA-N 1 0 398.345 2.861 20 0 GFADRO C[C@H](CNC(=O)C(=O)N1CC[C@@]2(CCC[NH2+]2)C1)c1c(Cl)cccc1Cl ZINC000419515794 655406988 /nfs/dbraw/zinc/40/69/88/655406988.db2.gz JRXLOQQSJNIGFB-XIKOKIGWSA-N 1 0 384.307 2.568 20 0 GFADRO C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000420406962 655407512 /nfs/dbraw/zinc/40/75/12/655407512.db2.gz ROCDGDPIZCKTAV-RDTXWAMCSA-N 1 0 380.330 2.624 20 0 GFADRO CC(C)N(C)S(=O)(=O)Nc1cc(Cl)ccc1OC1CC[NH+](C)CC1 ZINC000451108200 655410885 /nfs/dbraw/zinc/41/08/85/655410885.db2.gz AAEMKVUVWYGOFN-UHFFFAOYSA-N 1 0 375.922 2.810 20 0 GFADRO CC(C)[N@H+](C)CCNC(=O)N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000473825797 655414576 /nfs/dbraw/zinc/41/45/76/655414576.db2.gz CUSUVOUMDWBQBH-AWEZNQCLSA-N 1 0 387.311 2.738 20 0 GFADRO O=C(CC1([NH+]2CCOCC2)CCCC1)Nc1nc(Br)ccc1O ZINC000194573971 655416293 /nfs/dbraw/zinc/41/62/93/655416293.db2.gz YHLOYFJLUMHHKF-UHFFFAOYSA-N 1 0 384.274 2.523 20 0 GFADRO C[NH+](C)Cc1ccccc1CNC(=O)c1cc(S(C)(=O)=O)ccc1Cl ZINC000195153466 655419150 /nfs/dbraw/zinc/41/91/50/655419150.db2.gz DDGFFUUCYWHFBD-UHFFFAOYSA-N 1 0 380.897 2.735 20 0 GFADRO CC[NH+](CC)CC[C@@H](CO)Nc1ncc(Br)c(OC(C)(C)C)n1 ZINC000554685740 655422671 /nfs/dbraw/zinc/42/26/71/655422671.db2.gz QACBTCQVFKEPOX-LBPRGKRZSA-N 1 0 389.338 2.921 20 0 GFADRO CC[C@@H]1C[N@H+](C)CCN1C(=O)NCc1cc(F)c(F)cc1Br ZINC000562671384 655423891 /nfs/dbraw/zinc/42/38/91/655423891.db2.gz KDLCUOJKWVMECJ-LLVKDONJSA-N 1 0 376.245 2.963 20 0 GFADRO CC(=O)N[C@H](CC(=O)N(C)C1CCC([NH3+])CC1)c1ccc(Br)cc1 ZINC000237215230 655425979 /nfs/dbraw/zinc/42/59/79/655425979.db2.gz KJNQYDFGJCCYIZ-OFLPRAFFSA-N 1 0 396.329 2.745 20 0 GFADRO C#CCOc1ccc(Br)cc1C[NH2+]C[C@@H](C)CN1CCOCC1 ZINC000237530706 655426239 /nfs/dbraw/zinc/42/62/39/655426239.db2.gz XUWKBIYZRXZIRK-OAHLLOKOSA-N 1 0 381.314 2.519 20 0 GFADRO CCOC(=O)N1CCC([NH2+]CC(=O)Nc2ccc(Br)cc2C)CC1 ZINC000244398750 655427294 /nfs/dbraw/zinc/42/72/94/655427294.db2.gz YJCBOQOGJSPPSZ-UHFFFAOYSA-N 1 0 398.301 2.907 20 0 GFADRO O[C@@H](COc1c(Cl)cccc1Cl)C[N@@H+]1CCC[C@@H](C2OCCO2)C1 ZINC000246153428 655429272 /nfs/dbraw/zinc/42/92/72/655429272.db2.gz UBVKYPHMRFQOEI-CHWSQXEVSA-N 1 0 376.280 2.818 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(C(=O)Nc3nc(SCc4ccccc4)ns3)C[C@@H]21 ZINC000574768140 655430323 /nfs/dbraw/zinc/43/03/23/655430323.db2.gz WVOHXACNCDRDET-KGLIPLIRSA-N 1 0 375.523 2.998 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)c1cn(-c2ccc(Br)cc2)cn1 ZINC000574982217 655433961 /nfs/dbraw/zinc/43/39/61/655433961.db2.gz QNFZXWGOIOTQJC-LRDDRELGSA-N 1 0 377.286 2.977 20 0 GFADRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000249312617 655434060 /nfs/dbraw/zinc/43/40/60/655434060.db2.gz DZDRAUHUTLKKIV-BLLLJJGKSA-N 1 0 389.323 2.721 20 0 GFADRO COC[C@H](C)OC[C@@H](O)C[NH2+][C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1 ZINC000575862518 655438604 /nfs/dbraw/zinc/43/86/04/655438604.db2.gz AQQSJKARMHMMIQ-GUTXKFCHSA-N 1 0 377.312 2.574 20 0 GFADRO COc1cc(C[NH2+][C@@H]2CCC[C@H]3CN(C(C)=O)C[C@@H]32)c(Br)cc1O ZINC000575950394 655440654 /nfs/dbraw/zinc/44/06/54/655440654.db2.gz BBEFJZQQGKVHHM-DUVNUKRYSA-N 1 0 397.313 2.900 20 0 GFADRO CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)C[C@H](O)C[N@H+](C)CC ZINC000575999939 655441947 /nfs/dbraw/zinc/44/19/47/655441947.db2.gz PZJLJKWRPFIPAW-CQSZACIVSA-N 1 0 376.328 2.957 20 0 GFADRO C[C@@H]([NH3+])CC(=O)N[C@H](c1ccc(Cl)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000261800964 655442378 /nfs/dbraw/zinc/44/23/78/655442378.db2.gz KZXUIOPBTANIDO-KZULUSFZSA-N 1 0 380.897 2.686 20 0 GFADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)N[C@@H]2CCc3sc(Cl)cc32)CC1 ZINC000576039077 655442393 /nfs/dbraw/zinc/44/23/93/655442393.db2.gz HSNDAHCWACANLE-DZGCQCFKSA-N 1 0 384.977 2.962 20 0 GFADRO Cc1ccc(Br)cc1S(=O)(=O)N1C[C@H]([NH3+])Cc2ccccc21 ZINC000261936089 655443057 /nfs/dbraw/zinc/44/30/57/655443057.db2.gz KIIVWJQEBCVCMS-CQSZACIVSA-N 1 0 381.295 2.836 20 0 GFADRO CC(C)[N@@H+]1CC[C@@H](CNc2ncc(Cn3cc(Br)cn3)s2)C1 ZINC000576097658 655443175 /nfs/dbraw/zinc/44/31/75/655443175.db2.gz SRSABUDAALMZMV-LBPRGKRZSA-N 1 0 384.347 3.293 20 0 GFADRO O=C(NCC1C[NH2+]C1)[C@@H](Oc1cccc(Br)c1)c1ccccc1 ZINC000262006291 655443379 /nfs/dbraw/zinc/44/33/79/655443379.db2.gz IKXGZHFSHKKVLJ-KRWDZBQOSA-N 1 0 375.266 2.905 20 0 GFADRO O[C@H](C[NH2+]CCn1cc(Br)cn1)Cc1ccc(C(F)(F)F)cc1 ZINC000576102080 655443372 /nfs/dbraw/zinc/44/33/72/655443372.db2.gz QSDITXVKANYZDA-AWEZNQCLSA-N 1 0 392.219 2.858 20 0 GFADRO Cc1csc(C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c1I ZINC000576148131 655444351 /nfs/dbraw/zinc/44/43/51/655444351.db2.gz HJZDSHVEYBICHH-HBNTYKKESA-N 1 0 390.290 2.861 20 0 GFADRO [NH3+]C1C[C@H]2CC[C@@H](C1)C2NS(=O)(=O)c1ccc(Br)cc1Cl ZINC000576160106 655444623 /nfs/dbraw/zinc/44/46/23/655444623.db2.gz VELWEYOWAWLXRF-FOCQTFQBSA-N 1 0 393.734 2.897 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+][C@H]2C[C@H]2Cc2ccccc2)cc1Br ZINC000576368211 655446083 /nfs/dbraw/zinc/44/60/83/655446083.db2.gz GAPASAABWJJPIN-ZBFHGGJFSA-N 1 0 395.322 2.817 20 0 GFADRO [NH3+]C1CCC(OCC(=O)NCCOCc2ccc(Cl)cc2Cl)CC1 ZINC000576515331 655448290 /nfs/dbraw/zinc/44/82/90/655448290.db2.gz KBBOFSMPFQSWHA-UHFFFAOYSA-N 1 0 375.296 2.913 20 0 GFADRO O=C(CSCC1CC[NH2+]CC1)Nc1nc2cc3c(cc2s1)OCCO3 ZINC000576581233 655449467 /nfs/dbraw/zinc/44/94/67/655449467.db2.gz CNNOGRLBAGSHAI-UHFFFAOYSA-N 1 0 379.507 2.739 20 0 GFADRO CCc1nc(C)c(C[NH2+]C[C@H](O)COc2cc(F)cc(Br)c2)o1 ZINC000576629759 655450015 /nfs/dbraw/zinc/45/00/15/655450015.db2.gz FJDHCUAPVOMBJC-ZDUSSCGKSA-N 1 0 387.249 2.977 20 0 GFADRO O=C(N[C@@H]1CCSc2ccc(Cl)cc21)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000576862205 655453361 /nfs/dbraw/zinc/45/33/61/655453361.db2.gz QRJJMYPTNDHRPU-TZMCWYRMSA-N 1 0 377.901 2.823 20 0 GFADRO CCS(=O)(=O)c1ccc(CC(=O)NC[C@H](c2ccsc2)[NH+](C)C)cc1 ZINC000263990853 655455643 /nfs/dbraw/zinc/45/56/43/655455643.db2.gz HSMKNQPWGWJXNZ-QGZVFWFLSA-N 1 0 380.535 2.503 20 0 GFADRO O=S(=O)(CCN1CC[C@H](O)CC12CCC2)c1cccc(Br)c1 ZINC000576972571 655455723 /nfs/dbraw/zinc/45/57/23/655455723.db2.gz XFZNVUAWVQCSQD-AWEZNQCLSA-N 1 0 388.327 2.602 20 0 GFADRO CCOC(=O)CSc1nnc(NC(=O)CC[C@H]([NH3+])c2ccccc2)s1 ZINC000577054880 655456569 /nfs/dbraw/zinc/45/65/69/655456569.db2.gz RBHVIKJKLAOWFX-LBPRGKRZSA-N 1 0 380.495 2.612 20 0 GFADRO C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)C)c1cncc(Br)c1 ZINC000577077651 655457127 /nfs/dbraw/zinc/45/71/27/655457127.db2.gz LVBWAYILWSXSMF-RJCAOGMDSA-N 1 0 395.345 2.578 20 0 GFADRO CN(C)c1ncc(C[NH2+][C@H]2CCN(c3ccc(Br)cc3)C2)cn1 ZINC000264115802 655457463 /nfs/dbraw/zinc/45/74/63/655457463.db2.gz UPMIDTZWMSSLPW-HNNXBMFYSA-N 1 0 376.302 2.674 20 0 GFADRO CSC1(CNC(=O)N2CCC(n3cc(Cl)cn3)CC2)CC[NH+](C)CC1 ZINC000577450602 655459825 /nfs/dbraw/zinc/45/98/25/655459825.db2.gz UKVUANSNRJFODH-UHFFFAOYSA-N 1 0 385.965 2.710 20 0 GFADRO COc1c(Cl)cc(NC(=O)N[C@@H](C)CN2CC[NH+](C)CC2)cc1Cl ZINC000264399250 655462789 /nfs/dbraw/zinc/46/27/89/655462789.db2.gz CINPFIGBPHDQKG-NSHDSACASA-N 1 0 375.300 2.759 20 0 GFADRO CC[C@@H](C(=O)N(CCc1ccc(Cl)cc1)C[C@H](O)C(F)(F)F)[NH+](C)C ZINC000577670039 655464166 /nfs/dbraw/zinc/46/41/66/655464166.db2.gz XBOKIHSXHWQOHJ-GJZGRUSLSA-N 1 0 380.838 2.975 20 0 GFADRO CCOc1cc(C[NH2+][C@H]2CCN(CCOC)C2)cc(Br)c1OC ZINC000264551592 655466068 /nfs/dbraw/zinc/46/60/68/655466068.db2.gz CXQDXNVYFJKWHP-AWEZNQCLSA-N 1 0 387.318 2.667 20 0 GFADRO O[C@H](C[NH2+]CCCc1ccc(Br)cc1F)COC1CCOCC1 ZINC000577842384 655468366 /nfs/dbraw/zinc/46/83/66/655468366.db2.gz UFNOCUSNIWEWIM-OAHLLOKOSA-N 1 0 390.293 2.667 20 0 GFADRO O=C(NCC1([NH+]2CCCCC2)CCOCC1)c1ccc(Br)cn1 ZINC000264702829 655468869 /nfs/dbraw/zinc/46/88/69/655468869.db2.gz DGMFLAYVBGQOMJ-UHFFFAOYSA-N 1 0 382.302 2.609 20 0 GFADRO O=C(NC[C@@H]1CCCC[N@H+]1CCO)[C@H]1C[C@@H]1c1cccc(Br)c1 ZINC000578028282 655471590 /nfs/dbraw/zinc/47/15/90/655471590.db2.gz BVKJHINVUHNVRD-BBWFWOEESA-N 1 0 381.314 2.516 20 0 GFADRO Cc1nc(CSc2ccc(C(=O)N3CCC(O)(C[NH3+])CC3)cc2)cs1 ZINC000578191667 655473853 /nfs/dbraw/zinc/47/38/53/655473853.db2.gz ASXYZVHEHYDOQU-UHFFFAOYSA-N 1 0 377.535 2.670 20 0 GFADRO CN(C)CC[N@H+](C)CCCNC(=O)c1ccc(Cl)cc1Br ZINC000578397934 655477814 /nfs/dbraw/zinc/47/78/14/655477814.db2.gz QTGICPDSPXXACN-UHFFFAOYSA-N 1 0 376.726 2.716 20 0 GFADRO CO[C@@H]1CCN(C(=O)Cc2csc(-c3ccc(Cl)cc3)n2)[C@H](C[NH3+])C1 ZINC000578630830 655483420 /nfs/dbraw/zinc/48/34/20/655483420.db2.gz CYLPHMAWZPWTEM-JKSUJKDBSA-N 1 0 379.913 2.971 20 0 GFADRO O[C@@H](CC[NH2+]Cc1c(F)ccc(I)c1F)C(F)(F)F ZINC000578699506 655484875 /nfs/dbraw/zinc/48/48/75/655484875.db2.gz MCVZKYCHRAIIRG-VIFPVBQESA-N 1 0 395.109 2.972 20 0 GFADRO O=C(COc1ccc(Cl)c(Cl)c1)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000265580021 655486445 /nfs/dbraw/zinc/48/64/45/655486445.db2.gz WIWBRGSERUTMEG-CYBMUJFWSA-N 1 0 387.307 2.989 20 0 GFADRO CC[NH+]1CCC(CCNC(=O)C(=O)NCc2cccc(Cl)c2Cl)CC1 ZINC000578772810 655486692 /nfs/dbraw/zinc/48/66/92/655486692.db2.gz REQFZTMZYDZORW-UHFFFAOYSA-N 1 0 386.323 2.848 20 0 GFADRO CSc1c(C(=O)Nc2cc(Cl)ccc2N2CC[NH+](C)CC2)cnn1C ZINC000578936363 655489360 /nfs/dbraw/zinc/48/93/60/655489360.db2.gz AEEZIVRUTJBWEG-UHFFFAOYSA-N 1 0 379.917 2.800 20 0 GFADRO COC[C@H]1CCN(CC(=O)Nc2c(Cl)cc(Cl)cc2C(=O)OC)C1 ZINC000265840293 655491638 /nfs/dbraw/zinc/49/16/38/655491638.db2.gz WMTWILUENIJVFK-JTQLQIEISA-N 1 0 375.252 2.687 20 0 GFADRO Cc1cc(Br)cc(NC(=O)C(=O)N[C@@H](C)C[NH+]2CCC(C)CC2)c1 ZINC000579025796 655492087 /nfs/dbraw/zinc/49/20/87/655492087.db2.gz LMZRYQYQVKJIDB-AWEZNQCLSA-N 1 0 396.329 2.933 20 0 GFADRO NC(=O)C[C@@H]([NH2+]Cc1cc2cc(Br)ccc2o1)C1CCOCC1 ZINC000579253554 655496703 /nfs/dbraw/zinc/49/67/03/655496703.db2.gz XLKSRYJETTWWBK-OAHLLOKOSA-N 1 0 381.270 2.956 20 0 GFADRO [NH3+]C[C@H]1CCCN(C(=O)NCc2cnn(-c3ccc(Br)cc3)c2)C1 ZINC000579453372 655499929 /nfs/dbraw/zinc/49/99/29/655499929.db2.gz GGFHQWNXWBPBKJ-CYBMUJFWSA-N 1 0 392.301 2.515 20 0 GFADRO C[C@H]1Cc2cc(S(=O)(=O)N3C[C@@H]([NH3+])Cc4ccccc43)cc(Cl)c2O1 ZINC000579450711 655499981 /nfs/dbraw/zinc/49/99/81/655499981.db2.gz KIAOVINESAZEHB-FZMZJTMJSA-N 1 0 378.881 2.742 20 0 GFADRO C[C@H]([NH3+])C[C@H](C)NC(=O)c1cnn(-c2ncccc2Cl)c1C(F)(F)F ZINC000579597544 655502021 /nfs/dbraw/zinc/50/20/21/655502021.db2.gz SVAWACWUDIBYPR-IUCAKERBSA-N 1 0 375.782 2.795 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H](CNS(=O)(=O)c2ccc(Cl)c(Br)c2)C1 ZINC000579832447 655504494 /nfs/dbraw/zinc/50/44/94/655504494.db2.gz DCCLWLXWWLIWPV-NXEZZACHSA-N 1 0 381.723 2.898 20 0 GFADRO CC(C)(C)C[C@H](O)C[NH2+]C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000579833474 655504558 /nfs/dbraw/zinc/50/45/58/655504558.db2.gz CKSVTELWBPHZFK-KBPBESRZSA-N 1 0 378.282 2.715 20 0 GFADRO CC[C@H]1C[N@H+](C)CCN1CC(=O)Nc1c(F)cc(F)cc1Br ZINC000580030247 655507005 /nfs/dbraw/zinc/50/70/05/655507005.db2.gz QSCXOPFEJKBQAA-NSHDSACASA-N 1 0 376.245 2.692 20 0 GFADRO C[C@@H]([NH2+]C1CC1)C(=O)N[C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000580071240 655507940 /nfs/dbraw/zinc/50/79/40/655507940.db2.gz MPPUJKRNKPOOKS-SKDRFNHKSA-N 1 0 376.810 2.589 20 0 GFADRO CC[N@H+](CCNC(=O)N(C)C[C@H](O)c1cccc(Br)c1)C(C)C ZINC000840282387 661151503 /nfs/dbraw/zinc/15/15/03/661151503.db2.gz KLRLQUAOPVKZRL-INIZCTEOSA-N 1 0 386.334 2.854 20 0 GFADRO Cc1cc(S(=O)(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)sc1Br ZINC000580194282 655509840 /nfs/dbraw/zinc/50/98/40/655509840.db2.gz GJKXPHHJYTYXRW-LBPRGKRZSA-N 1 0 393.372 2.829 20 0 GFADRO CC[C@H](C[NH+]1CCCC1)NC(=O)N(C)C[C@@H](O)c1cccc(Br)c1 ZINC000840322633 661154308 /nfs/dbraw/zinc/15/43/08/661154308.db2.gz YICREIICSZMFHD-IAGOWNOFSA-N 1 0 398.345 2.998 20 0 GFADRO C[C@]12C[NH2+]C[C@H]1CN(C(=O)c1ccc(Br)cc1Br)C2 ZINC000703573939 655521983 /nfs/dbraw/zinc/52/19/83/655521983.db2.gz QDPQGZHLKLGJCA-LKFCYVNXSA-N 1 0 388.103 2.893 20 0 GFADRO Cn1cc(C[NH2+]CC2CCN(C(=O)OC(C)(C)C)CC2)c(Br)n1 ZINC000712461245 655522725 /nfs/dbraw/zinc/52/27/25/655522725.db2.gz GJGZJKXKAWHIKW-UHFFFAOYSA-N 1 0 387.322 2.919 20 0 GFADRO C[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1nn(C)cc1Br ZINC000716185421 655523355 /nfs/dbraw/zinc/52/33/55/655523355.db2.gz LPKJWTJIPZFKRF-BBRMVZONSA-N 1 0 391.313 2.823 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)c2cccc(I)c2)C[C@@H]1C(F)(F)F ZINC000720815160 655524613 /nfs/dbraw/zinc/52/46/13/655524613.db2.gz HRVWJORGBAREED-ONGXEEELSA-N 1 0 398.166 2.500 20 0 GFADRO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)c1csc(I)c1 ZINC000720814085 655524649 /nfs/dbraw/zinc/52/46/49/655524649.db2.gz BASIBTFRDBLKAB-WDEREUQCSA-N 1 0 376.263 2.661 20 0 GFADRO C[C@@H](NC(=S)NCCN1CC[NH+](C)CC1)c1ccc(Cl)cc1Cl ZINC000726449360 655534485 /nfs/dbraw/zinc/53/44/85/655534485.db2.gz FTYGYLUPCBOOJE-GFCCVEGCSA-N 1 0 375.369 2.766 20 0 GFADRO CC[NH+]1CCN(CCNC(=S)NCCc2ccc(Cl)cc2Cl)CC1 ZINC000726464288 655535073 /nfs/dbraw/zinc/53/50/73/655535073.db2.gz AVSZTIBMPOTOON-UHFFFAOYSA-N 1 0 389.396 2.638 20 0 GFADRO Cc1ccc(/C=C\C(=O)NCCCN2CC[NH+](C)CC2)c(Br)c1 ZINC000726504966 655535674 /nfs/dbraw/zinc/53/56/74/655535674.db2.gz SEXYXHXOVFWVHY-SREVYHEPSA-N 1 0 380.330 2.524 20 0 GFADRO O[C@@H](COc1ccc(Cl)c(Cl)c1)C[NH+]1CCC(C2OCCO2)CC1 ZINC000726844403 655539070 /nfs/dbraw/zinc/53/90/70/655539070.db2.gz PBVGBPZTGORDOB-CYBMUJFWSA-N 1 0 376.280 2.818 20 0 GFADRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(c2ncnc3c2c(Br)nn3C)C1 ZINC000728051059 655552011 /nfs/dbraw/zinc/55/20/11/655552011.db2.gz YRUIQBKBXQAOFI-XQQFMLRXSA-N 1 0 393.333 2.967 20 0 GFADRO O[C@H](COc1ccc(Cl)cc1Cl)C[N@@H+]1CCCC[C@H]1C1OCCO1 ZINC000728173311 655553603 /nfs/dbraw/zinc/55/36/03/655553603.db2.gz XNHSXXUMDMNHJP-ZFWWWQNUSA-N 1 0 376.280 2.961 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CNC(=S)NNc1ccc(Br)cc1F ZINC000728447475 655555760 /nfs/dbraw/zinc/55/57/60/655555760.db2.gz DMORVZZWENWUTF-NSHDSACASA-N 1 0 375.311 2.864 20 0 GFADRO CC(C)[NH2+][C@H]1CCCN(C(=O)c2ccc(S(=O)(=O)C(F)(F)F)cc2)C1 ZINC000728604970 655557712 /nfs/dbraw/zinc/55/77/12/655557712.db2.gz MNPSAQRABOIRBA-ZDUSSCGKSA-N 1 0 378.416 2.583 20 0 GFADRO O[C@@H](C[NH2+][C@@H]1CCCN(c2ncccn2)C1)c1ccc(Br)cc1 ZINC000728941210 655560457 /nfs/dbraw/zinc/56/04/57/655560457.db2.gz GFDWEMWYDLZKKN-CVEARBPZSA-N 1 0 377.286 2.531 20 0 GFADRO O=C(NCc1nc2cc(Cl)ccc2s1)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000729498881 655565450 /nfs/dbraw/zinc/56/54/50/655565450.db2.gz ZJWWRQCGNKRALU-CHWSQXEVSA-N 1 0 380.901 2.612 20 0 GFADRO CC[NH+](CC)CCNC(=O)NC[C@@](O)(c1ccc(Cl)cc1)C(F)(F)F ZINC000729581577 655565897 /nfs/dbraw/zinc/56/58/97/655565897.db2.gz WPOGXVHJGJGVNL-OAHLLOKOSA-N 1 0 381.826 2.731 20 0 GFADRO C[C@H](CN1CC[NH+](C)CC1)NC(=S)NCCSc1ccc(Cl)cc1 ZINC000730157583 655572079 /nfs/dbraw/zinc/57/20/79/655572079.db2.gz VALYWXCZTMOQJA-CQSZACIVSA-N 1 0 387.018 2.532 20 0 GFADRO CC(=O)N(c1nn(CN2CC[C@@H]([NH+]3CCCCC3)C2)c(=S)s1)C1CC1 ZINC000730807506 655578056 /nfs/dbraw/zinc/57/80/56/655578056.db2.gz SDFLQYKEIWYREQ-OAHLLOKOSA-N 1 0 381.571 2.707 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CNC(=S)NC[C@H](O)c1ccc(Cl)cc1Cl ZINC000731946739 655590024 /nfs/dbraw/zinc/59/00/24/655590024.db2.gz VPBOFUMKKQTBIN-WFASDCNBSA-N 1 0 376.353 2.975 20 0 GFADRO CC(C)[NH2+][C@H]1CCCN(C(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)C1 ZINC000732417640 655596400 /nfs/dbraw/zinc/59/64/00/655596400.db2.gz NWEIZBWFUUYYLE-ZDUSSCGKSA-N 1 0 375.441 2.677 20 0 GFADRO CN(C(=O)/C=C\c1ccc(Br)o1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000732564173 655598011 /nfs/dbraw/zinc/59/80/11/655598011.db2.gz OZHSBHXZLLRIRL-ZDTYVGOBSA-N 1 0 396.329 2.682 20 0 GFADRO O=C(NCCN1CCSCC1)[C@@H]1CC(c2ccc(Cl)cc2Cl)=NO1 ZINC000732777655 655601492 /nfs/dbraw/zinc/60/14/92/655601492.db2.gz UMIJKGOKRYXXID-HNNXBMFYSA-N 1 0 388.320 2.651 20 0 GFADRO O=C(NCCO)C1CC[NH+](CC/C=C\c2ccc(Br)cc2)CC1 ZINC000735308626 655644551 /nfs/dbraw/zinc/64/45/51/655644551.db2.gz LTFUHQRXYSMRLB-IWQZZHSRSA-N 1 0 381.314 2.673 20 0 GFADRO O=C(C1CCCCC1)N1CCN(CC[NH2+]Cc2occc2Br)CC1 ZINC000735321391 655645272 /nfs/dbraw/zinc/64/52/72/655645272.db2.gz SLBBUJFYWLPWIE-UHFFFAOYSA-N 1 0 398.345 2.856 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CNC(=S)NC[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000735625720 655650181 /nfs/dbraw/zinc/65/01/81/655650181.db2.gz IPRYHBXTKXGJAV-CABCVRRESA-N 1 0 376.353 2.975 20 0 GFADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)C[C@@](O)(c1nc(C)cs1)C(F)(F)F ZINC000735923757 655655351 /nfs/dbraw/zinc/65/53/51/655655351.db2.gz JUTXVBRRDBTTGQ-SWLSCSKDSA-N 1 0 379.448 2.582 20 0 GFADRO CC(C)[NH+]1CCC(NC(=O)COC(=O)c2ccc(Br)cc2)CC1 ZINC000735962423 655656240 /nfs/dbraw/zinc/65/62/40/655656240.db2.gz IXYBHGCTUAHHPW-UHFFFAOYSA-N 1 0 383.286 2.595 20 0 GFADRO C[N@@H+]1CCC[C@H](N2CCN(Cn3nc(-c4cccs4)oc3=S)CC2)C1 ZINC000738215951 655687097 /nfs/dbraw/zinc/68/70/97/655687097.db2.gz YDLDTVMCSYHTNP-AWEZNQCLSA-N 1 0 379.555 2.603 20 0 GFADRO COC(=O)c1nn(CN2CCC[N@@H+](C3CCCC3)CC2)c(C)c1Br ZINC000738271709 655688488 /nfs/dbraw/zinc/68/84/88/655688488.db2.gz XIBFLZIGISEQAR-UHFFFAOYSA-N 1 0 399.333 2.648 20 0 GFADRO C[NH+](C)C[C@@H](Cc1ccccc1)NS(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000738359880 655689701 /nfs/dbraw/zinc/68/97/01/655689701.db2.gz DXELYFMNLLJRQT-CYBMUJFWSA-N 1 0 388.320 2.840 20 0 GFADRO CC[C@H](C(=O)OCc1cc(=O)n2cc(Br)ccc2n1)[NH+](CC)CC ZINC000741033790 655702314 /nfs/dbraw/zinc/70/23/14/655702314.db2.gz YFMSRIAZVDYZAY-CQSZACIVSA-N 1 0 396.285 2.621 20 0 GFADRO COc1cc(C(=O)N2CCC23CC[NH+](C)CC3)cc(OC)c1Br ZINC000742186195 655711529 /nfs/dbraw/zinc/71/15/29/655711529.db2.gz XYTIEMCDBZZAOB-UHFFFAOYSA-N 1 0 383.286 2.777 20 0 GFADRO C[C@@H]1CCC[N@@H+]1CCNC(=O)c1ccc(F)cc1I ZINC000742237182 655712588 /nfs/dbraw/zinc/71/25/88/655712588.db2.gz JBCNLFJUBNDBOW-SNVBAGLBSA-N 1 0 376.213 2.644 20 0 GFADRO O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccc(Br)c(F)c1 ZINC000742833846 655722546 /nfs/dbraw/zinc/72/25/46/655722546.db2.gz IWKPVGJRNXUMHA-AWEZNQCLSA-N 1 0 385.277 2.961 20 0 GFADRO O=C(Nc1cc2c(cc1Br)OCCO2)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000743075461 655726118 /nfs/dbraw/zinc/72/61/18/655726118.db2.gz MILRWGUACVNWCU-GFCCVEGCSA-N 1 0 394.269 2.698 20 0 GFADRO CSc1nc2ccc(NC(=O)C(=O)N[C@@H]3CC[N@H+](C)[C@@H](C)C3)cc2s1 ZINC000743930392 655732696 /nfs/dbraw/zinc/73/26/96/655732696.db2.gz FHLIZQHHCFNZST-CMPLNLGQSA-N 1 0 378.523 2.556 20 0 GFADRO O=S(=O)(CC[NH2+][C@H]1CCC[C@H](c2ccc(Cl)cc2)C1)N1CCOCC1 ZINC000840729025 661180068 /nfs/dbraw/zinc/18/00/68/661180068.db2.gz YCOHLWZPSKWXQY-WMZOPIPTSA-N 1 0 386.945 2.618 20 0 GFADRO COc1ccc(Br)cc1C(=O)OC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000744135719 655735809 /nfs/dbraw/zinc/73/58/09/655735809.db2.gz PPXBIQGIGHGRIZ-CQSZACIVSA-N 1 0 386.286 2.971 20 0 GFADRO OCCC[N@@H+]1CCC[C@@H]1CNC(=S)NCc1cccc(C(F)(F)F)c1 ZINC000840779636 661186979 /nfs/dbraw/zinc/18/69/79/661186979.db2.gz NLJKQOMXFGVAGU-OAHLLOKOSA-N 1 0 375.460 2.516 20 0 GFADRO CCO[C@@H](CC[NH2+]Cc1c(C)nn([C@H]2CCS(=O)(=O)C2)c1Cl)C(C)C ZINC000746052887 655757935 /nfs/dbraw/zinc/75/79/35/655757935.db2.gz BGKRDACTKTUVNG-HOCLYGCPSA-N 1 0 391.965 2.745 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CNC(=S)NCCc1ccc(OC)c(OC)c1Cl ZINC000840753567 661183382 /nfs/dbraw/zinc/18/33/82/661183382.db2.gz XSCOUBWUIODPDI-CQSZACIVSA-N 1 0 385.961 2.848 20 0 GFADRO CC[NH+](CC)CCO[C@@H]1CCN(CCS(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000746676128 655766357 /nfs/dbraw/zinc/76/63/57/655766357.db2.gz SOMPSPLAQGDVRN-QGZVFWFLSA-N 1 0 388.961 2.546 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2S(=O)(=O)/C=C\c1ccccc1Cl ZINC000746702121 655766708 /nfs/dbraw/zinc/76/67/08/655766708.db2.gz LOLDYIIGKWOFGX-RPSVTPOASA-N 1 0 384.929 2.824 20 0 GFADRO O=C(CCCOc1cccc(Br)c1)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000747234341 655774664 /nfs/dbraw/zinc/77/46/64/655774664.db2.gz QGMBYSLWTHZINT-RDJZCZTQSA-N 1 0 397.313 2.588 20 0 GFADRO Cn1cc(C[C@@H]2CC[N@H+](Cn3c(=O)oc4cc(Br)ccc43)C2)cn1 ZINC000747459907 655779298 /nfs/dbraw/zinc/77/92/98/655779298.db2.gz HYRBRCXCIOBLPA-LBPRGKRZSA-N 1 0 391.269 2.613 20 0 GFADRO C[NH+](C)CCCNC(=S)N1CCO[C@@H](c2cccc(Br)c2)C1 ZINC000748596049 655792541 /nfs/dbraw/zinc/79/25/41/655792541.db2.gz MOXBXZGBOKSWNJ-OAHLLOKOSA-N 1 0 386.359 2.649 20 0 GFADRO CCc1c(Cl)nc(CS(C)(=O)=O)nc1NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000749091743 655799708 /nfs/dbraw/zinc/79/97/08/655799708.db2.gz IGOIEJGRLOBRKD-OLZOCXBDSA-N 1 0 388.965 2.769 20 0 GFADRO Cc1[nH]nc(C(=O)Nc2ccc(C[NH+]3CCC(O)CC3)cc2)c1Br ZINC000749400623 655804260 /nfs/dbraw/zinc/80/42/60/655804260.db2.gz XHLRLJSKGLGIDK-UHFFFAOYSA-N 1 0 393.285 2.690 20 0 GFADRO CC[NH+](CC)C[C@H]1CCN(Cn2c3cc(Br)ccc3oc2=O)C1 ZINC000749961147 655809682 /nfs/dbraw/zinc/80/96/82/655809682.db2.gz PYQGZKGKKFZHAF-CYBMUJFWSA-N 1 0 382.302 2.978 20 0 GFADRO COCCS(=O)(=O)CCC[N@@H+]1CCCCC[C@@H]1C[C@@H](O)c1cccs1 ZINC000750840374 655817929 /nfs/dbraw/zinc/81/79/29/655817929.db2.gz WNZODHDVJNZKIN-IAGOWNOFSA-N 1 0 389.583 2.868 20 0 GFADRO CCOCCNC(=S)N(CC[NH+](C)C)Cc1ccc(C(F)(F)F)cc1 ZINC000751003639 655820217 /nfs/dbraw/zinc/82/02/17/655820217.db2.gz OICBZFJRWMUMJL-UHFFFAOYSA-N 1 0 377.476 2.980 20 0 GFADRO C[C@@H](NC(=S)NCC(C)(C)C[NH+](C)C)[C@@H](O)c1c(F)cccc1Cl ZINC000751898972 655835726 /nfs/dbraw/zinc/83/57/26/655835726.db2.gz OJOIPKUAXSEZRM-IAQYHMDHSA-N 1 0 375.941 2.953 20 0 GFADRO C[C@H](NC(=O)NC[C@@]1([NH+](C)C)CCSC1)[C@H](O)c1c(F)cccc1Cl ZINC000753017767 655849388 /nfs/dbraw/zinc/84/93/88/655849388.db2.gz BTQIHMUUIBCEMQ-KCTSRDHCSA-N 1 0 389.924 2.638 20 0 GFADRO C[C@H](CNC(=O)c1cnn(-c2ccccc2)c1Br)[N@H+](C)C1CC1 ZINC000753818617 655859400 /nfs/dbraw/zinc/85/94/00/655859400.db2.gz OOUUEVXRENSSPQ-GFCCVEGCSA-N 1 0 377.286 2.847 20 0 GFADRO C[NH+]1CCN(c2ccccc2NC(=O)c2scnc2Br)CC1 ZINC000754029407 655862255 /nfs/dbraw/zinc/86/22/55/655862255.db2.gz GTKVEQAGVQVGFY-UHFFFAOYSA-N 1 0 381.299 2.910 20 0 GFADRO C[NH+](C)CCNC(=S)N1CCCc2c(Br)c(F)cc(F)c21 ZINC000840855595 661195949 /nfs/dbraw/zinc/19/59/49/661195949.db2.gz MGHHTIAZQFFGFW-UHFFFAOYSA-N 1 0 378.286 2.916 20 0 GFADRO CN(CCOc1ccc(Cl)cc1)C(=O)C[NH2+][C@H](CCO)c1cccs1 ZINC000754397862 655867330 /nfs/dbraw/zinc/86/73/30/655867330.db2.gz XOTXRBRWTYKJSB-MRXNPFEDSA-N 1 0 382.913 2.952 20 0 GFADRO C[C@@H]([NH2+]CCC(C)(C)S(C)(=O)=O)[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000840874908 661197500 /nfs/dbraw/zinc/19/75/00/661197500.db2.gz AYVQZZYNPCRRSC-CABCVRRESA-N 1 0 376.563 2.967 20 0 GFADRO C[NH+]1CCC([C@H]2CCN(Cn3c4cc(Br)ccc4oc3=O)C2)CC1 ZINC000755779556 655888963 /nfs/dbraw/zinc/88/89/63/655888963.db2.gz KELJLTSVVZWWHC-AWEZNQCLSA-N 1 0 394.313 2.978 20 0 GFADRO C[C@H](NC(=O)c1sccc1C[NH+](C)C)c1cccc(NS(C)(=O)=O)c1 ZINC000756042947 655893746 /nfs/dbraw/zinc/89/37/46/655893746.db2.gz WORVDHSXMAJZCT-LBPRGKRZSA-N 1 0 381.523 2.672 20 0 GFADRO CC[C@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1ccc(Cl)c(C(=O)OC)c1 ZINC000757497827 655912800 /nfs/dbraw/zinc/91/28/00/655912800.db2.gz XKCVNLIDAVLTPM-ZDUSSCGKSA-N 1 0 388.917 2.669 20 0 GFADRO O=S(=O)(C(F)F)N1CCC(C[NH2+]C/C=C/c2ccc(F)cc2F)CC1 ZINC000757847861 655917499 /nfs/dbraw/zinc/91/74/99/655917499.db2.gz QEFZAMUWPRXJSH-OWOJBTEDSA-N 1 0 380.407 2.832 20 0 GFADRO CC(=O)c1cc(S(=O)(=O)Nc2cc[nH+]c(N(C)C)c2)ccc1Br ZINC000758397212 655931269 /nfs/dbraw/zinc/93/12/69/655931269.db2.gz ODBOLFQGCQZSTH-UHFFFAOYSA-N 1 0 398.282 2.914 20 0 GFADRO OCCCC[NH+]1CCN(Cc2cc(Br)cc3cccnc32)CC1 ZINC000759719369 655961795 /nfs/dbraw/zinc/96/17/95/655961795.db2.gz XKXXLSUNFKDUNJ-UHFFFAOYSA-N 1 0 378.314 2.887 20 0 GFADRO C[C@H](Cc1ccccc1Br)NC(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000759750815 655962301 /nfs/dbraw/zinc/96/23/01/655962301.db2.gz UGQHSDYXHGILTE-FVQBIDKESA-N 1 0 396.329 2.543 20 0 GFADRO CC[NH+]1CCN(c2ccc(NC(=O)c3cnn(C)c3Br)cc2)CC1 ZINC000760162976 655970687 /nfs/dbraw/zinc/97/06/87/655970687.db2.gz GSCOYFNFVQXGTB-UHFFFAOYSA-N 1 0 392.301 2.577 20 0 GFADRO C[C@H]1C[C@H](NC(=O)c2cnn(-c3ccccc3)c2Br)CC[N@@H+]1C ZINC000760314823 655975590 /nfs/dbraw/zinc/97/55/90/655975590.db2.gz LUCWUZMNRAMTCY-QWHCGFSZSA-N 1 0 377.286 2.847 20 0 GFADRO CN(C(=O)c1cnn(-c2ccccc2)c1Br)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000760373541 655977963 /nfs/dbraw/zinc/97/79/63/655977963.db2.gz MOKKNGGZWDUHOD-OAHLLOKOSA-N 1 0 389.297 2.944 20 0 GFADRO C[NH+]1CCC(CNC(=S)Nc2cccc(I)c2)CC1 ZINC000760465127 655981688 /nfs/dbraw/zinc/98/16/88/655981688.db2.gz DRKWQBVMOXXSFH-UHFFFAOYSA-N 1 0 389.306 2.919 20 0 GFADRO C[NH+]1CCC(CNC(=S)NC[C@H](O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000760492096 655982485 /nfs/dbraw/zinc/98/24/85/655982485.db2.gz GBNTVUUJBBITNO-HNNXBMFYSA-N 1 0 376.353 2.833 20 0 GFADRO C[C@@H]1C[C@@H](NS(=O)(=O)/C=C/c2ccccc2Br)C[N@@H+]1C1CC1 ZINC000760593881 655986844 /nfs/dbraw/zinc/98/68/44/655986844.db2.gz FBLZZWVQOQQWOL-UWCZFHCBSA-N 1 0 385.327 2.964 20 0 GFADRO C[N@H+](CC(=O)NCC[C@H](O)c1ccc(Cl)c(Cl)c1)[C@@H]1CCSC1 ZINC000760689387 655989584 /nfs/dbraw/zinc/98/95/84/655989584.db2.gz CXYIKOCGWWCSTJ-DOMZBBRYSA-N 1 0 377.337 2.970 20 0 GFADRO C[C@H](CNS(=O)(=O)c1ccc2nc(Cl)cnc2c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000760855215 655993595 /nfs/dbraw/zinc/99/35/95/655993595.db2.gz PWKQYRWHGYGTOE-CHWSQXEVSA-N 1 0 382.917 2.682 20 0 GFADRO C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1[NH2+]Cc1ccc(S(C)(=O)=O)s1 ZINC000840942236 661213390 /nfs/dbraw/zinc/21/33/90/661213390.db2.gz WGCSXIAHHCZXTD-TZMCWYRMSA-N 1 0 388.555 2.887 20 0 GFADRO S=C(NC[C@H]1CCCCO1)NC[C@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000761506235 656017047 /nfs/dbraw/zinc/01/70/47/656017047.db2.gz WGCWMKBOADFZPU-ZWKOTPCHSA-N 1 0 379.595 2.637 20 0 GFADRO C[C@@H]1C[C@@H](N2C(=O)N[C@](C)(c3cccc(Br)c3)C2=O)C[N@@H+]1C1CC1 ZINC000762098724 656031145 /nfs/dbraw/zinc/03/11/45/656031145.db2.gz ZTMFVZZTUXQYQA-PZDGAKPMSA-N 1 0 392.297 2.841 20 0 GFADRO CC(C)(C)OC(=O)Nc1ncc(C[NH2+]CC2(CS(C)(=O)=O)CCC2)s1 ZINC000840974666 661222978 /nfs/dbraw/zinc/22/29/78/661222978.db2.gz DPDRYKXWANJNFT-UHFFFAOYSA-N 1 0 389.543 2.795 20 0 GFADRO CS(=O)(=O)c1ccc(C[NH2+]C[C@H](O)c2ccccc2Br)s1 ZINC000840953074 661218602 /nfs/dbraw/zinc/21/86/02/661218602.db2.gz LZGLVKKRAZVHLF-ZDUSSCGKSA-N 1 0 390.324 2.737 20 0 GFADRO Cc1sc(Cl)nc1C(=O)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO ZINC000762897931 656062980 /nfs/dbraw/zinc/06/29/80/656062980.db2.gz JCBRBWBCZRPCKV-GJZGRUSLSA-N 1 0 379.913 2.718 20 0 GFADRO COC(=O)[C@@H](c1cc(Cl)cc(Cl)c1)N1CC[NH+](CCCCO)CC1 ZINC000763558306 656086004 /nfs/dbraw/zinc/08/60/04/656086004.db2.gz UFKLSCLPSACAOJ-MRXNPFEDSA-N 1 0 375.296 2.598 20 0 GFADRO CC1CC[NH+](CCCCNS(=O)(=O)c2ccc(C(F)(F)F)cn2)CC1 ZINC000765167061 656134654 /nfs/dbraw/zinc/13/46/54/656134654.db2.gz OSPFTSJGBIHLCA-UHFFFAOYSA-N 1 0 379.448 2.891 20 0 GFADRO C[C@H]1C[NH+](CCCNC(=O)N2Cc3ccc(Br)cc3C2)C[C@H](C)O1 ZINC000765199156 656136474 /nfs/dbraw/zinc/13/64/74/656136474.db2.gz HKKRBOGSNGPONH-KBPBESRZSA-N 1 0 396.329 2.974 20 0 GFADRO O=S(=O)(N1CCC(C[NH2+][C@@H]2Cc3ccc(Cl)cc3C2)CC1)C(F)(F)F ZINC000765934042 656155521 /nfs/dbraw/zinc/15/55/21/656155521.db2.gz GFVGAGUTHKFOKB-OAHLLOKOSA-N 1 0 396.862 2.958 20 0 GFADRO Cc1nc(Br)sc1C(=O)Nc1c[nH+]ccc1N1CCN(C)CC1 ZINC000841072842 661231283 /nfs/dbraw/zinc/23/12/83/661231283.db2.gz KGTYZBAKZSGELL-UHFFFAOYSA-N 1 0 396.314 2.613 20 0 GFADRO O=C(NCC[NH+]1CCCC1)c1ccc(NC(=O)C2SCCCS2)cc1 ZINC000841113953 661234204 /nfs/dbraw/zinc/23/42/04/661234204.db2.gz PZIWYTLIBAIOHV-UHFFFAOYSA-N 1 0 379.551 2.647 20 0 GFADRO C[C@@H]1CN(C(=O)C(=O)Nc2ccc3cc(Br)ccc3c2)CC[C@@H]1[NH3+] ZINC000841176119 661241353 /nfs/dbraw/zinc/24/13/53/661241353.db2.gz LLTCUCINVZKXSD-BZNIZROVSA-N 1 0 390.281 2.737 20 0 GFADRO Cn1cc([C@H](O)C[C@@H]2CCC[N@@H+]2C[C@@H](O)c2ccccc2Br)cn1 ZINC000766961490 656189531 /nfs/dbraw/zinc/18/95/31/656189531.db2.gz QMCPGHOZFINRHR-BMGDILEWSA-N 1 0 394.313 2.804 20 0 GFADRO CN(C(=O)C1SCCCS1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000841173201 661241517 /nfs/dbraw/zinc/24/15/17/661241517.db2.gz HOBZSAAQXCECIO-IAGOWNOFSA-N 1 0 385.643 2.978 20 0 GFADRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)Nc1cnc(Br)c(Br)c1 ZINC000841140827 661236673 /nfs/dbraw/zinc/23/66/73/661236673.db2.gz DDMAWDVXADPQDN-XCBNKYQSSA-N 1 0 392.095 2.726 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)Nc2cnc(Br)c(Br)c2)CC[NH2+]1 ZINC000841141763 661236845 /nfs/dbraw/zinc/23/68/45/661236845.db2.gz KIROUTFOEVFSGA-SFYZADRCSA-N 1 0 392.095 2.869 20 0 GFADRO CC(C)[C@@H]([NH3+])CNC(=O)Nc1cnc(Br)c(Br)c1 ZINC000841141701 661237010 /nfs/dbraw/zinc/23/70/10/661237010.db2.gz HRYWBCVFHDKNSZ-VIFPVBQESA-N 1 0 380.084 2.711 20 0 GFADRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)Nc1cnc(Br)c(Br)c1 ZINC000841141775 661237133 /nfs/dbraw/zinc/23/71/33/661237133.db2.gz KNENUDYVGJTSDL-JGVFFNPUSA-N 1 0 392.095 2.821 20 0 GFADRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)Nc2cnc(Br)c(Br)c2)C1 ZINC000841143023 661237602 /nfs/dbraw/zinc/23/76/02/661237602.db2.gz WKUQXHRDJJMYLK-HTQZYQBOSA-N 1 0 392.095 2.856 20 0 GFADRO C[C@H](NC(=O)C(=O)Nc1ccccc1SC(F)(F)F)[C@@H]1CCC[NH2+]C1 ZINC000841158414 661239741 /nfs/dbraw/zinc/23/97/41/661239741.db2.gz GFVXHTXIKHYKDM-WDEREUQCSA-N 1 0 375.416 2.741 20 0 GFADRO CC(C)(C[NH3+])NC(=O)C(=O)Nc1ccccc1SC[C@H]1CC1(Cl)Cl ZINC000841172042 661241188 /nfs/dbraw/zinc/24/11/88/661241188.db2.gz YWTCRSPKPWRTHA-SNVBAGLBSA-N 1 0 390.336 2.765 20 0 GFADRO Cc1cc(Br)ncc1NC(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000768992951 656262660 /nfs/dbraw/zinc/26/26/60/656262660.db2.gz JXXNDZLVQKTWPS-CABCVRRESA-N 1 0 397.317 2.652 20 0 GFADRO C[C@@H]1CN(C(=O)C(=O)Nc2ccccc2SC(F)(F)F)C[C@@]1(C)C[NH3+] ZINC000841273559 661250537 /nfs/dbraw/zinc/25/05/37/661250537.db2.gz SRSOVSFLABYNSX-MEBBXXQBSA-N 1 0 375.416 2.680 20 0 GFADRO Cc1c(C[N@H+](CCO)CCOCC(F)(F)F)sc2nc(C)nc(C)c12 ZINC000769390490 656273078 /nfs/dbraw/zinc/27/30/78/656273078.db2.gz WGGUZLVLRXWFFO-UHFFFAOYSA-N 1 0 377.432 2.990 20 0 GFADRO Cn1c(Cl)ncc1S(=O)(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000769390912 656273212 /nfs/dbraw/zinc/27/32/12/656273212.db2.gz VQAWWYBJGCKNTI-UHFFFAOYSA-N 1 0 382.917 2.538 20 0 GFADRO CC1([NH3+])CCN(C(=O)C(=O)Nc2cccc(Cl)c2SC(F)F)CC1 ZINC000841221520 661245312 /nfs/dbraw/zinc/24/53/12/661245312.db2.gz DMQULBQUINPWIK-UHFFFAOYSA-N 1 0 377.844 2.933 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)C(=O)Nc2ccc3cc(Br)ccc3c2)CC[NH2+]1 ZINC000841230240 661246312 /nfs/dbraw/zinc/24/63/12/661246312.db2.gz NJNOKUWNWQOHAR-BDJLRTHQSA-N 1 0 390.281 2.798 20 0 GFADRO O[C@H](C[NH2+][C@H]1CCCC[C@@H]1N1CCOCC1)c1ccccc1Br ZINC000769799229 656292250 /nfs/dbraw/zinc/29/22/50/656292250.db2.gz FCRUFCWTMUIPJF-OKZBNKHCSA-N 1 0 383.330 2.716 20 0 GFADRO C[NH+]1CCN(CCC(C)(C)NS(=O)(=O)/C=C/c2ccc(Cl)cc2)CC1 ZINC000770299689 656315550 /nfs/dbraw/zinc/31/55/50/656315550.db2.gz OHRAQDJAHHORCO-OVCLIPMQSA-N 1 0 385.961 2.646 20 0 GFADRO CC(C)(CNC(=O)c1cccnc1I)[NH+]1CCCCC1 ZINC000770550792 656322554 /nfs/dbraw/zinc/32/25/54/656322554.db2.gz RCJKDLRAOHVSFF-UHFFFAOYSA-N 1 0 387.265 2.681 20 0 GFADRO [NH3+]CC[C@H](NC(=O)NCCc1ccc(Br)cc1F)C(F)(F)F ZINC000841334443 661252762 /nfs/dbraw/zinc/25/27/62/661252762.db2.gz DHNLSHKZQGUVDJ-NSHDSACASA-N 1 0 386.187 2.710 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2ccc3nc(Cl)cnc3c2)C[C@@H]1C ZINC000772941063 656394768 /nfs/dbraw/zinc/39/47/68/656394768.db2.gz YCXLBFQIZPMFJY-QWHCGFSZSA-N 1 0 382.917 2.777 20 0 GFADRO O=S(=O)(C(F)F)N1CCC(C[NH2+][C@@H]2Cc3ccc(Cl)cc3C2)CC1 ZINC000772980189 656396232 /nfs/dbraw/zinc/39/62/32/656396232.db2.gz ZHARXCIVHUSMHT-OAHLLOKOSA-N 1 0 378.872 2.661 20 0 GFADRO C[C@H]1C[C@H](NC(=O)c2cc(=O)c3cc(Br)ccc3o2)C[N@@H+]1C1CC1 ZINC000841406879 661261352 /nfs/dbraw/zinc/26/13/52/661261352.db2.gz NZZFVFIOEHEEHO-JQWIXIFHSA-N 1 0 391.265 2.911 20 0 GFADRO C[N@H+]1CC=C(CNC(=O)c2cc(=O)c3cc(Br)ccc3o2)CC1 ZINC000841412938 661262299 /nfs/dbraw/zinc/26/22/99/661262299.db2.gz FQESIIYMHIPUBX-UHFFFAOYSA-N 1 0 377.238 2.547 20 0 GFADRO C[NH+]1CCC(N(C[C@H](O)CC(C)(C)C)C(=O)C[C@H]2CSCCS2)CC1 ZINC000773449972 656448655 /nfs/dbraw/zinc/44/86/55/656448655.db2.gz QXXDXZQXKWDCIU-SJORKVTESA-N 1 0 388.643 2.945 20 0 GFADRO C[NH+]1CCC(ONC(=O)CCNc2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000773551529 656459745 /nfs/dbraw/zinc/45/97/45/656459745.db2.gz IYQYYGVHOCUPJR-UHFFFAOYSA-N 1 0 380.798 2.698 20 0 GFADRO CC[NH+](CC)[C@@H](CNC(=O)c1ccc2n[nH]c(=S)n2c1)c1ccsc1 ZINC000773807546 656472210 /nfs/dbraw/zinc/47/22/10/656472210.db2.gz YZLJJBXXINNKGJ-AWEZNQCLSA-N 1 0 375.523 2.892 20 0 GFADRO CCC(CC)[C@H](CNC(=O)C(=O)Nc1cnc(Br)cc1C)[NH+](C)C ZINC000774241520 656508575 /nfs/dbraw/zinc/50/85/75/656508575.db2.gz RQOKVYLYYMUHSV-AWEZNQCLSA-N 1 0 399.333 2.574 20 0 GFADRO C[NH+](C)CCNC(=S)NCc1cc(Br)ccc1Br ZINC000774252716 656509000 /nfs/dbraw/zinc/50/90/00/656509000.db2.gz DBJJDHDKLBNGIX-UHFFFAOYSA-N 1 0 395.164 2.737 20 0 GFADRO Cc1cc(Br)cc(C[NH2+]Cc2ccc(S(=O)(=O)CCO)cc2)c1 ZINC000775014038 656586703 /nfs/dbraw/zinc/58/67/03/656586703.db2.gz XWZVGKUEWFRADD-UHFFFAOYSA-N 1 0 398.322 2.813 20 0 GFADRO CN(C)C(=O)[C@H]1CC[C@H](C[NH2+]Cc2nc3ccc(Br)cc3s2)O1 ZINC000775016533 656587721 /nfs/dbraw/zinc/58/77/21/656587721.db2.gz OCXAPRFDZILZLH-DGCLKSJQSA-N 1 0 398.326 2.784 20 0 GFADRO OC[C@@H]1CCN(Cc2ccccc2)C[C@@H]1[NH2+][C@@H]1CC[C@@H]2SCCS[C@H]12 ZINC000775391634 656636296 /nfs/dbraw/zinc/63/62/96/656636296.db2.gz CFCFEAGIWXIDLC-LJDSDSDDSA-N 1 0 378.607 2.839 20 0 GFADRO COC(=O)N1CCC[C@H]([C@H](C)[NH2+]CCS(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000775812612 656682542 /nfs/dbraw/zinc/68/25/42/656682542.db2.gz OOMQRNJLAVFLFK-KBPBESRZSA-N 1 0 388.917 2.570 20 0 GFADRO COCC[N@@H+]1CC[C@@H](NC(=O)Nc2nnc(-c3cccc(Cl)c3)s2)C1 ZINC000775820115 656683261 /nfs/dbraw/zinc/68/32/61/656683261.db2.gz NRQJQIIICVJGPF-CYBMUJFWSA-N 1 0 381.889 2.701 20 0 GFADRO Cc1nn(CC(=O)OC(C)C)c(C)c1C[NH2+][C@@H]1CC[C@H]2SCCS[C@H]12 ZINC000776256230 656723513 /nfs/dbraw/zinc/72/35/13/656723513.db2.gz NRRDYSFGNCPSNG-JFIYKMOQSA-N 1 0 383.583 2.921 20 0 GFADRO C[C@H]([NH2+]C[C@H]1CCC[C@@]12NC(=O)N(C)C2=O)c1cc(Cl)c(N)c(Cl)c1 ZINC000777125604 656811352 /nfs/dbraw/zinc/81/13/52/656811352.db2.gz LERQQNXTUCAOAW-VKHBWIJISA-N 1 0 385.295 2.947 20 0 GFADRO O=C(Cc1ccc(F)cc1Br)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000777145034 656812830 /nfs/dbraw/zinc/81/28/30/656812830.db2.gz OCAZFBXPGDBTOK-INIZCTEOSA-N 1 0 399.304 2.890 20 0 GFADRO CC[NH+](CC)CCO[C@H]1CCN(S(=O)(=O)c2c(Cl)ccnc2Cl)C1 ZINC000778015809 656852906 /nfs/dbraw/zinc/85/29/06/656852906.db2.gz YUQBNHYCYKGJKX-LBPRGKRZSA-N 1 0 396.340 2.510 20 0 GFADRO C[NH+]1CCN(c2ccccc2NC(=O)c2nc(Br)cs2)CC1 ZINC000779730620 656938253 /nfs/dbraw/zinc/93/82/53/656938253.db2.gz GSVQSEZXTVQWBD-UHFFFAOYSA-N 1 0 381.299 2.910 20 0 GFADRO O=C(N[C@H]1CC[N@@H+](C2CC2)C1)c1cnn(-c2ccccc2)c1Br ZINC000782167855 657109350 /nfs/dbraw/zinc/10/93/50/657109350.db2.gz UHWBTKNHFXWAMN-LBPRGKRZSA-N 1 0 375.270 2.601 20 0 GFADRO Cc1nc(Br)ccc1NC(=O)C(=O)Nc1ccc(C[NH+](C)C)cc1 ZINC000783023324 657201372 /nfs/dbraw/zinc/20/13/72/657201372.db2.gz IHTQGFDFYPMXQE-UHFFFAOYSA-N 1 0 391.269 2.791 20 0 GFADRO O[C@@H](C[NH2+]C[C@@H](O)c1ccccc1)COc1cc(F)cc(Br)c1 ZINC000783962112 657277917 /nfs/dbraw/zinc/27/79/17/657277917.db2.gz RQMMKDXVCHJLHI-DOTOQJQBSA-N 1 0 384.245 2.651 20 0 GFADRO CC[NH+]1CCN([C@@H](C)CNc2ccc(-c3nnc(Br)o3)cc2)CC1 ZINC000784571317 657317290 /nfs/dbraw/zinc/31/72/90/657317290.db2.gz MMCCFNKFXVVQAB-ZDUSSCGKSA-N 1 0 394.317 2.937 20 0 GFADRO C[C@@H](CNC(=O)C(=O)NCCSc1ccc(Cl)cc1)[NH+]1CCCCC1 ZINC000785407550 657362129 /nfs/dbraw/zinc/36/21/29/657362129.db2.gz LTXIWROADVRQSC-AWEZNQCLSA-N 1 0 383.945 2.539 20 0 GFADRO COc1cccc(N2CC[C@@H](C[NH2+]Cc3cc(Br)nn3C)C2)c1 ZINC000785447152 657365590 /nfs/dbraw/zinc/36/55/90/657365590.db2.gz YFGUESPPHZISIC-ZDUSSCGKSA-N 1 0 379.302 2.807 20 0 GFADRO COc1cccc(N2CCC[C@@H]([NH2+]Cc3cc(Br)nn3C)C2)c1 ZINC000785470229 657366603 /nfs/dbraw/zinc/36/66/03/657366603.db2.gz IWXLUSNWYHSJTI-CYBMUJFWSA-N 1 0 379.302 2.950 20 0 GFADRO CCOC(=O)C(F)(F)[C@@H]1CCC[C@H]([NH2+]Cc2ccc(S(C)(=O)=O)s2)C1 ZINC000786960488 657496110 /nfs/dbraw/zinc/49/61/10/657496110.db2.gz JLRXZRREHXMDRI-NEPJUHHUSA-N 1 0 395.493 2.998 20 0 GFADRO COC(=O)/C=C1\SCC(=O)N1CCC[N@@H+]1CC[C@H](C(F)(F)F)C1(C)C ZINC000787328279 657544179 /nfs/dbraw/zinc/54/41/79/657544179.db2.gz QIJBYBHSRWPGGG-KWJWQAOWSA-N 1 0 380.432 2.629 20 0 GFADRO C[NH+](C)CCOCCNC(=O)N1CCC[C@H]1Cc1ccc(Br)cc1 ZINC000788013132 657633710 /nfs/dbraw/zinc/63/37/10/657633710.db2.gz HHWOXDPHMADTCE-KRWDZBQOSA-N 1 0 398.345 2.744 20 0 GFADRO CC[NH+]1CCN(Cc2ccc(NC(=O)c3cc(Br)[nH]n3)cc2)CC1 ZINC000788281355 657688198 /nfs/dbraw/zinc/68/81/98/657688198.db2.gz NQDVLWGNRSNZKM-UHFFFAOYSA-N 1 0 392.301 2.562 20 0 GFADRO O=S(=O)(C(F)F)N1CCC(C[NH2+][C@H]2COCc3cccc(Cl)c32)CC1 ZINC000788637341 657758340 /nfs/dbraw/zinc/75/83/40/657758340.db2.gz ADNBYDKCDLQYHL-AWEZNQCLSA-N 1 0 394.871 2.765 20 0 GFADRO C[C@@H]([NH2+]CCOc1ccc(S(=O)(=O)C(F)(F)F)cc1)[C@@]1(C)CCCO1 ZINC000788690135 657774500 /nfs/dbraw/zinc/77/45/00/657774500.db2.gz WHGLQYZEFHYQNN-IUODEOHRSA-N 1 0 381.416 2.906 20 0 GFADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]CC[C@](C)(O)c1ccccc1 ZINC000788768304 657784798 /nfs/dbraw/zinc/78/47/98/657784798.db2.gz ZIZFSBJSXXHATG-KDOFPFPSSA-N 1 0 379.298 2.887 20 0 GFADRO Cc1cc(C)cc([C@@H](O)C[NH2+][C@@H](C)Cn2cc(Br)ccc2=O)c1 ZINC000788818559 657787464 /nfs/dbraw/zinc/78/74/64/657787464.db2.gz PWENOFGAALOEFU-YOEHRIQHSA-N 1 0 379.298 2.939 20 0 GFADRO Cc1ccc(OS(=O)(=O)c2ccc(C[NH+](C)C)cc2)c(Br)n1 ZINC000790051756 657921906 /nfs/dbraw/zinc/92/19/06/657921906.db2.gz RLVKIKLDOVMYSI-UHFFFAOYSA-N 1 0 385.283 2.982 20 0 GFADRO C[NH+](C)CCOc1cc(NC(=O)c2nc(Br)ccc2F)ccn1 ZINC000791678940 658158623 /nfs/dbraw/zinc/15/86/23/658158623.db2.gz VWYJDUCJNQPGFT-UHFFFAOYSA-N 1 0 383.221 2.571 20 0 GFADRO O=C(NC1CC[NH+](Cc2cccnc2)CC1)c1nc(Br)ccc1F ZINC000792173050 658244856 /nfs/dbraw/zinc/24/48/56/658244856.db2.gz AVVJUHGHSJVLSS-UHFFFAOYSA-N 1 0 393.260 2.773 20 0 GFADRO Cc1n[nH]c(C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)c1Br ZINC000792576782 658301457 /nfs/dbraw/zinc/30/14/57/658301457.db2.gz BOJQXHLQXJOOQS-GASCZTMLSA-N 1 0 389.297 2.685 20 0 GFADRO Cc1cc([C@H](C)[NH2+][C@H]2CCN(c3cccc(Br)c3)C2=O)n(C)n1 ZINC000793563547 658406377 /nfs/dbraw/zinc/40/63/77/658406377.db2.gz CVFVRYUBRWZWJE-WFASDCNBSA-N 1 0 377.286 2.947 20 0 GFADRO CCOC(=O)N1CC[C@H]([NH2+]Cc2ccc(C(=O)OC)cc2Br)C1 ZINC000793589615 658413503 /nfs/dbraw/zinc/41/35/03/658413503.db2.gz JCKJOXZXVFBIGR-ZDUSSCGKSA-N 1 0 385.258 2.556 20 0 GFADRO Cc1ccc(NC(=O)NC[C@H](C(C)C)[NH+]2CCN(C)CC2)nc1Br ZINC000794357263 658525091 /nfs/dbraw/zinc/52/50/91/658525091.db2.gz DXJVGOZXSYWUKT-CQSZACIVSA-N 1 0 398.349 2.546 20 0 GFADRO Cc1nsc(C(=O)N(CC[NH+](C)C)Cc2ccc(Br)cc2)n1 ZINC000794734197 658606117 /nfs/dbraw/zinc/60/61/17/658606117.db2.gz ACPVSEFZEVFDMK-UHFFFAOYSA-N 1 0 383.315 2.813 20 0 GFADRO Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)[NH2+]C[C@@H](O)c1ccc(Cl)cc1 ZINC000794793486 658615480 /nfs/dbraw/zinc/61/54/80/658615480.db2.gz ORFQZJZUILKPES-SUMWQHHRSA-N 1 0 382.913 2.988 20 0 GFADRO COc1cc(S(=O)(=O)N[C@H](C)[C@H](c2ccccc2)[NH+](C)C)cnc1Cl ZINC000795165086 658698845 /nfs/dbraw/zinc/69/88/45/658698845.db2.gz WRSUWMFLISBSFZ-MLGOLLRUSA-N 1 0 383.901 2.713 20 0 GFADRO C[N@@H+]1CCC[C@H]2CN(CN3Cc4cccc(Br)c4C3=O)CC[C@H]21 ZINC000795435023 658818716 /nfs/dbraw/zinc/81/87/16/658818716.db2.gz JRCBPEALPRFICC-XJKSGUPXSA-N 1 0 378.314 2.779 20 0 GFADRO CC[C@@H]([NH2+][C@@H](C)Cc1cnccn1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000795787535 658851306 /nfs/dbraw/zinc/85/13/06/658851306.db2.gz RDRSAFUSWWNNPZ-BLLLJJGKSA-N 1 0 382.917 2.710 20 0 GFADRO CCCN(CC[NH+]1CCCCC1)S(=O)(=O)c1c(Cl)nc2ccccn21 ZINC000796127444 658895014 /nfs/dbraw/zinc/89/50/14/658895014.db2.gz WJYBFIVOJUYTTB-UHFFFAOYSA-N 1 0 384.933 2.874 20 0 GFADRO CC(=O)c1cc(Br)ccc1OCC(=O)N[C@H](C[NH+](C)C)C(C)C ZINC000796431296 658917035 /nfs/dbraw/zinc/91/70/35/658917035.db2.gz VMMQPMUNJGYOFF-OAHLLOKOSA-N 1 0 385.302 2.733 20 0 GFADRO COC(=O)C[C@](C)([NH2+]CCC1OCCCO1)c1ccc(Br)cc1 ZINC000796497610 658919919 /nfs/dbraw/zinc/91/99/19/658919919.db2.gz MEPIZRJIYWBAAK-KRWDZBQOSA-N 1 0 386.286 2.970 20 0 GFADRO COC1CC[NH+](C(C)(C)CNC(=O)N2CCC(C)=C(Br)C2)CC1 ZINC000797450739 659024034 /nfs/dbraw/zinc/02/40/34/659024034.db2.gz CIYKWPOXORTQFX-UHFFFAOYSA-N 1 0 388.350 2.960 20 0 GFADRO CC[NH+](CC)CC[C@@H](CO)NC(=O)[C@@H](C)Sc1nc2ccccc2s1 ZINC000798144018 659076129 /nfs/dbraw/zinc/07/61/29/659076129.db2.gz SDAXAFGQAOULJR-KGLIPLIRSA-N 1 0 381.567 2.986 20 0 GFADRO C[NH+](C)CCN(Cc1ccccc1)C(=O)Cc1cccnc1Br ZINC000798285560 659091446 /nfs/dbraw/zinc/09/14/46/659091446.db2.gz XMPILLJOHKVBPA-UHFFFAOYSA-N 1 0 376.298 2.977 20 0 GFADRO C[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)N1CCC=C(Br)C1 ZINC000799327715 659182030 /nfs/dbraw/zinc/18/20/30/659182030.db2.gz YMSUMGYEWYWGFL-YJBOKZPZSA-N 1 0 392.341 2.750 20 0 GFADRO O[C@H](C[NH2+]C[C@@H](O)c1ccc(F)cn1)COc1cccc(Cl)c1Cl ZINC000799613213 659202252 /nfs/dbraw/zinc/20/22/52/659202252.db2.gz KEVXSCSGMNLGQS-BXUZGUMPSA-N 1 0 375.227 2.590 20 0 GFADRO C[C@H](CNC(=O)NC[C@H](O)c1cccc(Br)c1)C[NH+]1CCCCC1 ZINC000799939294 659247264 /nfs/dbraw/zinc/24/72/64/659247264.db2.gz LBTCDIMOUOQPHX-PBHICJAKSA-N 1 0 398.345 2.904 20 0 GFADRO COC(=O)c1c2cnn(C[NH+]3CCC4(CCO4)CC3)c2ccc1Br ZINC000799955855 659249959 /nfs/dbraw/zinc/24/99/59/659249959.db2.gz KSAFDEHMRXVTJJ-UHFFFAOYSA-N 1 0 394.269 2.798 20 0 GFADRO CC(C)(C)OC(=O)N1CC(C[NH2+][C@H](CO)c2cccc(Br)c2)C1 ZINC000800370580 659305285 /nfs/dbraw/zinc/30/52/85/659305285.db2.gz JXTLMHROKINBPR-OAHLLOKOSA-N 1 0 385.302 2.939 20 0 GFADRO C[C@@H]1CCC[N@@H+]1CCNC(=O)C1(c2ccc(I)cc2)CC1 ZINC000800694356 659326992 /nfs/dbraw/zinc/32/69/92/659326992.db2.gz HMTVEIVFIGLLGU-CYBMUJFWSA-N 1 0 398.288 2.923 20 0 GFADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]CC(C)(C)C(F)(F)F ZINC000800889103 659343486 /nfs/dbraw/zinc/34/34/86/659343486.db2.gz OYAFVGUFDNJQIS-SNVBAGLBSA-N 1 0 387.855 2.883 20 0 GFADRO Cn1nc(Br)cc1C[NH2+][C@@H]1CCN(C(=O)Nc2ccccc2)C1 ZINC000800901899 659345781 /nfs/dbraw/zinc/34/57/81/659345781.db2.gz NSPLDXZONUWZNZ-CYBMUJFWSA-N 1 0 378.274 2.579 20 0 GFADRO C[C@@H]1CCC[N@H+](CCNC(=O)NC[C@@H](O)c2cccc(Br)c2)C1 ZINC000801744701 659421805 /nfs/dbraw/zinc/42/18/05/659421805.db2.gz DNVFSSNIOWKLSM-CZUORRHYSA-N 1 0 384.318 2.514 20 0 GFADRO C[C@@H](CNC(=O)NC[C@@H](O)c1cccc(Br)c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000801750071 659422562 /nfs/dbraw/zinc/42/25/62/659422562.db2.gz KOCSHAOYJQRVFL-JKIFEVAISA-N 1 0 398.345 2.902 20 0 GFADRO C[N@H+](CC[C@H]1CCCN(C(=O)OC(C)(C)C)C1)CC(C)(C)S(C)(=O)=O ZINC000801935203 659435340 /nfs/dbraw/zinc/43/53/40/659435340.db2.gz ATRSXMZXITVRGA-OAHLLOKOSA-N 1 0 376.563 2.779 20 0 GFADRO CC(C)[N@@H+]1CCO[C@@H](COC(=O)C2=Cc3cc(Br)ccc3OC2)C1 ZINC000802139842 659448467 /nfs/dbraw/zinc/44/84/67/659448467.db2.gz BWXDFHQYLXTSHT-MRXNPFEDSA-N 1 0 396.281 2.877 20 0 GFADRO CC(C)[NH+]1CCC(NC(=O)COC(=O)c2cscc2Br)CC1 ZINC000803775029 659603997 /nfs/dbraw/zinc/60/39/97/659603997.db2.gz ROEQMUXVHDPNSM-UHFFFAOYSA-N 1 0 389.315 2.656 20 0 GFADRO C[C@@H](CC(=O)c1cccc(Br)c1)C(=O)N[C@H]1CCc2cncn2C1 ZINC000804334013 659635470 /nfs/dbraw/zinc/63/54/70/659635470.db2.gz VVEAYGDGTABYAS-WFASDCNBSA-N 1 0 390.281 2.986 20 0 GFADRO CN(C(=O)[C@@H]1Cc2cc(Br)ccc2O1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000804564952 659658176 /nfs/dbraw/zinc/65/81/76/659658176.db2.gz UXJPQIWWPNKRFG-MYSGWJLTSA-N 1 0 379.298 2.836 20 0 GFADRO CCC[N@@H+]1CCC[C@H]1CNC(=O)C[C@@](O)(c1nc(C)cs1)C(F)(F)F ZINC000804775680 659682823 /nfs/dbraw/zinc/68/28/23/659682823.db2.gz LWPMKTJEGKRDIQ-SWLSCSKDSA-N 1 0 379.448 2.582 20 0 GFADRO O=S(=O)(NC[C@H]1CCC[N@@H+]1C1CCCCC1)c1cnc(Cl)c(F)c1 ZINC000805086603 659737751 /nfs/dbraw/zinc/73/77/51/659737751.db2.gz CXBPHEHGMGLMPR-CYBMUJFWSA-N 1 0 375.897 2.950 20 0 GFADRO COCCS(=O)(=O)c1ccc(C[NH2+][C@H]2CCc3nc(Cl)ccc32)cc1 ZINC000806161255 659826541 /nfs/dbraw/zinc/82/65/41/659826541.db2.gz IUOMPIUMIDVPHU-INIZCTEOSA-N 1 0 380.897 2.932 20 0 GFADRO Cc1cc(NC(=O)N(C)CC(F)(F)Br)n(C2CC[NH+](C)CC2)n1 ZINC000806332931 659829580 /nfs/dbraw/zinc/82/95/80/659829580.db2.gz COLMCZFMLBNQCD-UHFFFAOYSA-N 1 0 394.264 2.910 20 0 GFADRO C[C@@H]([NH2+]CCCn1cc(Br)cn1)c1ccc(N2CCNC2=O)cc1 ZINC000806659857 659839276 /nfs/dbraw/zinc/83/92/76/659839276.db2.gz HTXLCNWPTQMALC-CYBMUJFWSA-N 1 0 392.301 2.916 20 0 GFADRO C[NH+](C)[C@]1(CNC(=O)[C@@]2(C)CC(c3ccccc3Cl)=NO2)CCSC1 ZINC000807002830 659846204 /nfs/dbraw/zinc/84/62/04/659846204.db2.gz QLFCVVMERNLWDI-MSOLQXFVSA-N 1 0 381.929 2.777 20 0 GFADRO CSCC[C@H](C)NC(=O)C(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000807052367 659847353 /nfs/dbraw/zinc/84/73/53/659847353.db2.gz GKSSATYCDQESTN-SQWLQELKSA-N 1 0 383.583 2.505 20 0 GFADRO C[NH+](C)C[C@H](NC(=O)c1ccc(C(N)=O)c(Cl)n1)c1ccc(Cl)cc1 ZINC000807490031 659857109 /nfs/dbraw/zinc/85/71/09/659857109.db2.gz NFPIPCNVBKGPSX-AWEZNQCLSA-N 1 0 381.263 2.520 20 0 GFADRO CCOC(=O)c1cc(S(=O)(=O)NCC(C)(C)C[NH+](C)C)c(F)cc1Cl ZINC000809385507 659925214 /nfs/dbraw/zinc/92/52/14/659925214.db2.gz AOURVICBUWSKAK-UHFFFAOYSA-N 1 0 394.896 2.522 20 0 GFADRO Cc1ccc(Br)c(S(=O)(=O)NCC[NH2+]C2CC(C(F)F)C2)c1 ZINC000809719730 659937170 /nfs/dbraw/zinc/93/71/70/659937170.db2.gz NINULBMCRAOOEZ-UHFFFAOYSA-N 1 0 397.285 2.669 20 0 GFADRO CC(C)S(=O)(=O)CC[NH2+]Cc1ccc(OC(F)F)c(Br)c1 ZINC000809790079 659939382 /nfs/dbraw/zinc/93/93/82/659939382.db2.gz WQCQLKHQFQYYFX-UHFFFAOYSA-N 1 0 386.258 2.963 20 0 GFADRO NS(=O)(=O)c1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[C@@H]3SCCS[C@H]13)CCC2 ZINC000810228718 659967513 /nfs/dbraw/zinc/96/75/13/659967513.db2.gz JZPYABMBRQMUOG-WCXIOVBPSA-N 1 0 384.592 2.681 20 0 GFADRO C[NH+](C)CCOC1CCN(C(=O)c2cc(Cl)ncc2Br)CC1 ZINC000810396115 659971694 /nfs/dbraw/zinc/97/16/94/659971694.db2.gz VBOIMNFSRFMIJY-UHFFFAOYSA-N 1 0 390.709 2.680 20 0 GFADRO Nc1nc(N2CCC[C@H](OC(=O)c3cscc3Br)C2)cc[nH+]1 ZINC000810769104 659985299 /nfs/dbraw/zinc/98/52/99/659985299.db2.gz CSUUHJRKBJBBQY-VIFPVBQESA-N 1 0 383.271 2.709 20 0 GFADRO COC(=O)c1ccc(CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)c(Br)c1 ZINC000811344276 660006466 /nfs/dbraw/zinc/00/64/66/660006466.db2.gz UWNAJVCXJKEVSQ-RYUDHWBXSA-N 1 0 383.286 2.582 20 0 GFADRO O=C(NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1)NOC/C=C\Cl ZINC000811877128 660017120 /nfs/dbraw/zinc/01/71/20/660017120.db2.gz FSLBMVGESOAOFZ-KXFIGUGUSA-N 1 0 387.311 2.835 20 0 GFADRO CS[C@H]1CN(S(=O)(=O)c2ccc3nc(Cl)c(C)cc3c2)C[C@H]1[NH+](C)C ZINC000815028548 660104005 /nfs/dbraw/zinc/10/40/05/660104005.db2.gz BMCBHKDEQFDBCF-CVEARBPZSA-N 1 0 399.969 2.863 20 0 GFADRO COC(=O)c1ccc(Cl)c(S(=O)(=O)NCCCCC[NH+]2CCCC2)c1 ZINC000815069536 660109237 /nfs/dbraw/zinc/10/92/37/660109237.db2.gz CIZYEHCDLCKPBK-UHFFFAOYSA-N 1 0 388.917 2.671 20 0 GFADRO CN(Cc1ccccc1Br)C(=O)CC[NH2+]Cc1cnn(C)c1Cl ZINC000815124121 660113719 /nfs/dbraw/zinc/11/37/19/660113719.db2.gz NTTVVEXRXMGOEY-UHFFFAOYSA-N 1 0 399.720 2.974 20 0 GFADRO C[C@H](CNC(=O)C(=O)Nc1cccc(Cl)c1SC(F)F)C[NH+](C)C ZINC000815684380 660128403 /nfs/dbraw/zinc/12/84/03/660128403.db2.gz MIIVBEOQQALGQP-SECBINFHSA-N 1 0 379.860 2.907 20 0 GFADRO O=C(C1CC[NH+](C2CC2)CC1)N1CC[C@H](Oc2cncc(Br)c2)C1 ZINC000816705199 660165994 /nfs/dbraw/zinc/16/59/94/660165994.db2.gz WJHPQWWDBKHZGS-INIZCTEOSA-N 1 0 394.313 2.698 20 0 GFADRO C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[C@H]1CCC(=O)N1 ZINC000816901956 660171972 /nfs/dbraw/zinc/17/19/72/660171972.db2.gz DKGYPNQMIYNSPF-CQSZACIVSA-N 1 0 386.323 2.942 20 0 GFADRO CC[NH+](CC)CCN(CC(C)C)C(=O)c1cc(S(C)(=O)=O)ncc1Cl ZINC000816949324 660173944 /nfs/dbraw/zinc/17/39/44/660173944.db2.gz SRABYQLQNZVWGJ-UHFFFAOYSA-N 1 0 389.949 2.579 20 0 GFADRO Cc1cc(NC(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)cc(F)c1Br ZINC000841790289 661313301 /nfs/dbraw/zinc/31/33/01/661313301.db2.gz BQDZXPXNYWRMRJ-STQMWFEESA-N 1 0 386.265 2.881 20 0 GFADRO CC(C)(C[NH2+]Cc1ccccc1I)C1(O)CCOCC1 ZINC000841889315 661317528 /nfs/dbraw/zinc/31/75/28/661317528.db2.gz BGOLHSADDHXIND-UHFFFAOYSA-N 1 0 389.277 2.949 20 0 GFADRO CN(C[C@H](O)c1ccccc1Br)C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000841947956 661318219 /nfs/dbraw/zinc/31/82/19/661318219.db2.gz HNQYADXHMQBUCE-WQVCFCJDSA-N 1 0 384.318 2.641 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)N2CCO[C@@H](c3ccccc3Br)C2)CC[NH2+]1 ZINC000841988436 661318983 /nfs/dbraw/zinc/31/89/83/661318983.db2.gz TZKKGGGCJZPBDY-DVOMOZLQSA-N 1 0 382.302 2.673 20 0 GFADRO COc1ccc2nc(Cl)ccc2c1S(=O)(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000842484936 661341790 /nfs/dbraw/zinc/34/17/90/661341790.db2.gz CLBSMASKDRMJMX-RYUDHWBXSA-N 1 0 383.901 2.502 20 0 GFADRO C[NH2+]C[C@@H](C)c1noc(-c2cc(S(C)(=O)=O)cc(Br)c2C)n1 ZINC000842582774 661344419 /nfs/dbraw/zinc/34/44/19/661344419.db2.gz MHAVGVSTZVLLRU-MRVPVSSYSA-N 1 0 388.287 2.534 20 0 GFADRO O=C1[C@@H](c2cccc(Br)c2)CCN1C[N@@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000842627261 661346482 /nfs/dbraw/zinc/34/64/82/661346482.db2.gz UZFDDOTTWHIAFL-OIISXLGYSA-N 1 0 379.298 2.833 20 0 GFADRO COc1ccc2nc(Cl)ccc2c1S(=O)(=O)N1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000842722261 661351008 /nfs/dbraw/zinc/35/10/08/661351008.db2.gz ONROLLVFCYFYOJ-RISCZKNCSA-N 1 0 383.901 2.645 20 0 GFADRO [NH3+]C1C[C@H]2CCC[C@@H](C1)N2S(=O)(=O)c1ccc(OC(F)F)c(Cl)c1 ZINC000842740521 661351893 /nfs/dbraw/zinc/35/18/93/661351893.db2.gz FYSCVMSDZQHIHV-FGWVZKOKSA-N 1 0 380.844 2.974 20 0 GFADRO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+][C@H]1C[C@@H](OC(C)(C)C)C1 ZINC000842763418 661352999 /nfs/dbraw/zinc/35/29/99/661352999.db2.gz FRKVBHCBUAWXGK-MELADBBJSA-N 1 0 389.949 2.640 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H]2CN(S(=O)(=O)/C=C\c3cccc(Br)c3)C[C@@H]21 ZINC000842792159 661354266 /nfs/dbraw/zinc/35/42/66/661354266.db2.gz AQSZEPPITSINAW-CVHZUXLUSA-N 1 0 385.327 2.809 20 0 GFADRO [NH3+]C1CC2(C1)CC(NS(=O)(=O)c1ccc(Cl)c(Br)c1)C2 ZINC000842797365 661355032 /nfs/dbraw/zinc/35/50/32/661355032.db2.gz JGNYEJXSZJFLNW-UHFFFAOYSA-N 1 0 379.707 2.651 20 0 GFADRO [NH3+]C1CC2(C1)CC(NS(=O)(=O)c1cc(Br)sc1Cl)C2 ZINC000842799205 661355231 /nfs/dbraw/zinc/35/52/31/661355231.db2.gz XXYKJHBROOEONN-UHFFFAOYSA-N 1 0 385.736 2.712 20 0 GFADRO O=S(=O)(/C=C\c1ccccc1Br)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000842850341 661357081 /nfs/dbraw/zinc/35/70/81/661357081.db2.gz QOKJFGPOBNVNLE-BDJZEXMMSA-N 1 0 385.327 2.825 20 0 GFADRO OC[C@H](Cc1ccc(O)cc1)[NH2+]C[C@H](O)c1ccc(F)c(Br)c1 ZINC000843063724 661365713 /nfs/dbraw/zinc/36/57/13/661365713.db2.gz AHHWYHZYFKAWBC-GUYCJALGSA-N 1 0 384.245 2.520 20 0 GFADRO O[C@H](C[NH2+]C[C@H](O)c1ccc(F)cc1Cl)COc1ccc(F)c(F)c1 ZINC000843070464 661366155 /nfs/dbraw/zinc/36/61/55/661366155.db2.gz BEZZYSCMGTTXKJ-DIFFPNOSSA-N 1 0 375.774 2.820 20 0 GFADRO O[C@H](C[NH2+]C[C@H](O)c1ccccc1C(F)(F)F)COCc1cccs1 ZINC000843071859 661366388 /nfs/dbraw/zinc/36/63/88/661366388.db2.gz ZPSAOTJVFRBIBV-WBMJQRKESA-N 1 0 375.412 2.968 20 0 GFADRO C[C@](O)(C[NH2+][C@@H](CO)Cc1ccccc1)c1ccc(Br)cc1F ZINC000843073302 661366423 /nfs/dbraw/zinc/36/64/23/661366423.db2.gz RWWLUONOXFHPKD-QAPCUYQASA-N 1 0 382.273 2.989 20 0 GFADRO CC(C)(C)OC(=O)NCC[C@@H](O)C[NH2+]C[C@@H](O)c1ccc(Cl)cc1Cl ZINC000843075606 661366610 /nfs/dbraw/zinc/36/66/10/661366610.db2.gz NEJNVPZMNSXHNR-IUODEOHRSA-N 1 0 393.311 2.892 20 0 GFADRO Cc1cccc([C@H](O)C[NH2+]C[C@@H](O)COc2cccc(Br)c2)c1 ZINC000843085481 661367017 /nfs/dbraw/zinc/36/70/17/661367017.db2.gz BVXPTVNJNXNTFN-SJLPKXTDSA-N 1 0 380.282 2.820 20 0 GFADRO CN(C[C@@H](O)C[NH2+]C[C@H](O)c1c(Cl)cccc1Cl)C(=O)OC(C)(C)C ZINC000843085325 661367061 /nfs/dbraw/zinc/36/70/61/661367061.db2.gz XEXVVIIKYYMBFW-FZMZJTMJSA-N 1 0 393.311 2.844 20 0 GFADRO COc1ccc([C@H](CO)C[NH2+]C[C@@H](O)c2cccc(Br)c2)cc1 ZINC000843098042 661367956 /nfs/dbraw/zinc/36/79/56/661367956.db2.gz UMDNKYAMQSVCDB-MAUKXSAKSA-N 1 0 380.282 2.857 20 0 GFADRO C[C@@](O)(C[NH2+][C@H](CO)C1CCOCC1)c1ccc(Br)cc1Cl ZINC000843103185 661368127 /nfs/dbraw/zinc/36/81/27/661368127.db2.gz KCLHIFKUXVUQRS-HZPDHXFCSA-N 1 0 392.721 2.687 20 0 GFADRO C[C@](O)(C[NH2+]C[C@]1(CCO)CCOC1)c1ccc(Br)cc1Cl ZINC000843102694 661368176 /nfs/dbraw/zinc/36/81/76/661368176.db2.gz YFDQYVHFUHRYOW-HOTGVXAUSA-N 1 0 392.721 2.689 20 0 GFADRO O[C@H](C[NH2+]C[C@H](O)c1ccc(F)cc1)COc1ccc(Br)cc1 ZINC000843108773 661368301 /nfs/dbraw/zinc/36/83/01/661368301.db2.gz SMKURBWOLKHISK-WBVHZDCISA-N 1 0 384.245 2.651 20 0 GFADRO Cc1ccc(OC[C@@H](O)C[NH2+]C[C@H](O)c2cccc(Br)c2)cc1 ZINC000843111537 661368708 /nfs/dbraw/zinc/36/87/08/661368708.db2.gz FZTMCADLUCWMGW-WMZOPIPTSA-N 1 0 380.282 2.820 20 0 GFADRO O[C@H](C[NH2+]C[C@@H](O)c1cccc(Br)c1)COc1ccccc1F ZINC000843112086 661368782 /nfs/dbraw/zinc/36/87/82/661368782.db2.gz DDFSUSSXFBAYQL-GDBMZVCRSA-N 1 0 384.245 2.651 20 0 GFADRO O[C@H](C[NH2+]C[C@H](O)c1cccc(Br)c1)COCc1cccs1 ZINC000843114169 661369118 /nfs/dbraw/zinc/36/91/18/661369118.db2.gz PMJYWNVVDOTGET-ZBFHGGJFSA-N 1 0 386.311 2.711 20 0 GFADRO OCC1([C@H]([NH2+]C[C@H](O)c2cccc(Br)c2)C2CC2)CCOCC1 ZINC000843116539 661369573 /nfs/dbraw/zinc/36/95/73/661369573.db2.gz ZBWRMSAIQNFFBK-DLBZAZTESA-N 1 0 384.314 2.640 20 0 GFADRO Cn1ccnc1[C@H]([NH2+]C[C@H](O)c1ccc(Br)cc1)C(C)(C)CO ZINC000843119805 661370131 /nfs/dbraw/zinc/37/01/31/661370131.db2.gz WYQYWPSDKHBOKA-GJZGRUSLSA-N 1 0 382.302 2.565 20 0 GFADRO Cn1cc([C@H]([NH2+]C[C@H](O)c2ccc(Br)cc2)C2(CO)CCC2)cn1 ZINC000843119538 661370169 /nfs/dbraw/zinc/37/01/69/661370169.db2.gz VQEVAGBNPABDRP-IRXDYDNUSA-N 1 0 394.313 2.710 20 0 GFADRO C[C@@H](CCc1ccc(I)cc1)Cc1nc(CC[NH3+])no1 ZINC000843132297 661370306 /nfs/dbraw/zinc/37/03/06/661370306.db2.gz RGTLBBIVFZMJAN-NSHDSACASA-N 1 0 385.249 2.987 20 0 GFADRO CCCOc1ccc(Br)cc1-c1noc(C[C@H]2C[NH2+]CCO2)n1 ZINC000843204415 661372693 /nfs/dbraw/zinc/37/26/93/661372693.db2.gz MGJPCBSDQGIHNX-LBPRGKRZSA-N 1 0 382.258 2.819 20 0 GFADRO [NH3+]C1C[C@H]2CCC[C@@H](C1)N2CCS(=O)(=O)c1ccc(Br)cc1 ZINC000843362179 661378639 /nfs/dbraw/zinc/37/86/39/661378639.db2.gz VBGLZTHOLIMRMO-GOOCMWNKSA-N 1 0 387.343 2.567 20 0 GFADRO COc1ccc(Br)cc1[C@@H]1CCCN1C(=O)CO[C@H]1CCC[NH2+]C1 ZINC000843416754 661380899 /nfs/dbraw/zinc/38/08/99/661380899.db2.gz WCCMDIUJDBJKDG-HOCLYGCPSA-N 1 0 397.313 2.890 20 0 GFADRO CN(Cc1ccc(Br)cc1Cl)C(=O)CO[C@@H]1CCC[NH2+]C1 ZINC000843491845 661383252 /nfs/dbraw/zinc/38/32/52/661383252.db2.gz NKFSFFJHZPFYBL-CYBMUJFWSA-N 1 0 375.694 2.830 20 0 GFADRO CS(=O)(=O)c1ccc(-c2nc(CN3CC[C@@]4(CCC[NH2+]4)C3)cs2)cc1 ZINC000844225839 661409722 /nfs/dbraw/zinc/40/97/22/661409722.db2.gz HRQBGAUCMKCECL-SFHVURJKSA-N 1 0 377.535 2.542 20 0 GFADRO O=C1O[C@@H](C[NH2+][C@H](CO)c2ccc(Cl)cc2C(F)(F)F)CN1C1CC1 ZINC000844324282 661415218 /nfs/dbraw/zinc/41/52/18/661415218.db2.gz GVOHXWYQHWQFJK-SMDDNHRTSA-N 1 0 378.778 2.965 20 0 GFADRO CSCCCNC(=S)N1CCO[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000844581299 661429200 /nfs/dbraw/zinc/42/92/00/661429200.db2.gz VYIRWUIUIDOQDN-ROUUACIJSA-N 1 0 379.595 2.589 20 0 GFADRO CC(C)C[N@H+](C)CCCNC(=O)c1cn(-c2ccccc2Br)nn1 ZINC000844653503 661431778 /nfs/dbraw/zinc/43/17/78/661431778.db2.gz JFGGUQQXBOPEMG-UHFFFAOYSA-N 1 0 394.317 2.738 20 0 GFADRO COC(=O)[C@]1(C)CCN(CN2CC(c3ccc(Br)cc3)=CC2=O)C1 ZINC000844697883 661435077 /nfs/dbraw/zinc/43/50/77/661435077.db2.gz SEAFZAPXXIFPFQ-GOSISDBHSA-N 1 0 393.281 2.517 20 0 GFADRO COCCCOCCN(C)CN1CC(c2ccc(Br)cc2)=CC1=O ZINC000844697261 661435181 /nfs/dbraw/zinc/43/51/81/661435181.db2.gz GPDIVTSUTUPQPF-UHFFFAOYSA-N 1 0 397.313 2.617 20 0 GFADRO O=C1C=C(c2ccc(Br)cc2)CN1C[N@@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000844709226 661436409 /nfs/dbraw/zinc/43/64/09/661436409.db2.gz BCWBFTCLJLSKBQ-PBHICJAKSA-N 1 0 377.282 2.743 20 0 GFADRO CO[C@H]1CC[N@H+](CN2CC(c3ccc(Br)cc3)=CC2=O)C[C@@H]1C ZINC000844709089 661436448 /nfs/dbraw/zinc/43/64/48/661436448.db2.gz PUAWWJKUOUEXGM-GUYCJALGSA-N 1 0 379.298 2.989 20 0 GFADRO CC(C)[C@@H](CNC(=O)NCCC[C@@H]1CC1(Cl)Cl)[NH+]1CCN(C)CC1 ZINC000844870154 661445535 /nfs/dbraw/zinc/44/55/35/661445535.db2.gz XXDLLOUSASKONM-HUUCEWRRSA-N 1 0 379.376 2.532 20 0 GFADRO C[C@]1(CCNC(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)C[C@]1(F)Cl ZINC000845064051 661455247 /nfs/dbraw/zinc/45/52/47/661455247.db2.gz MQEFINHZXAPOIY-XYVMCAHJSA-N 1 0 375.916 2.758 20 0 GFADRO C[C@@H](C[NH+]1CCCC1)OC(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000845671960 661487583 /nfs/dbraw/zinc/48/75/83/661487583.db2.gz GOUIMZFBJNVDMK-KBPBESRZSA-N 1 0 395.297 2.830 20 0 GFADRO C[C@@H]1CN(C(=O)NCCC[C@@H]2CC2(Cl)Cl)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000845673508 661488077 /nfs/dbraw/zinc/48/80/77/661488077.db2.gz VRDUABZDSTUGPJ-OAGGEKHMSA-N 1 0 391.387 2.628 20 0 GFADRO COc1ccc(C(=O)OC[C@@H]2CC[N@H+](C)[C@@H]2C)cc1I ZINC000845817180 661498774 /nfs/dbraw/zinc/49/87/74/661498774.db2.gz CKDKHHMYYGWDKL-PWSUYJOCSA-N 1 0 389.233 2.797 20 0 GFADRO CNS(=O)(=O)CC[NH2+]Cc1cccc(Br)c1SC(C)(C)C ZINC000845959797 661509420 /nfs/dbraw/zinc/50/94/20/661509420.db2.gz NQYIJABMFRHNAI-UHFFFAOYSA-N 1 0 395.388 2.979 20 0 GFADRO CN(CC[NH+]1CCCCC1)S(=O)(=O)c1cnc(Cl)c(Br)c1 ZINC000846037721 661526328 /nfs/dbraw/zinc/52/63/28/661526328.db2.gz KOBKRAINEGIZFO-UHFFFAOYSA-N 1 0 396.738 2.604 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2S(=O)(=O)Cc2cc(Cl)ccc2F)C1 ZINC000846235500 661539952 /nfs/dbraw/zinc/53/99/52/661539952.db2.gz XBIFWDMWUSVCLT-PVAVHDDUSA-N 1 0 390.908 2.670 20 0 GFADRO C[NH+](C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC[C@]1(C)CC1(Cl)Cl ZINC000846247235 661540312 /nfs/dbraw/zinc/54/03/12/661540312.db2.gz QFOIZPGDKYHCCI-BLLLJJGKSA-N 1 0 396.359 2.922 20 0 GFADRO C[NH+](C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC[C@]1(C)C[C@]1(F)Cl ZINC000846398490 661547802 /nfs/dbraw/zinc/54/78/02/661547802.db2.gz HJRULXYABXMRIV-JCURWCKSSA-N 1 0 379.904 2.652 20 0 GFADRO C[C@@H](CC(=O)c1cccc(Br)c1)C(=O)NOC1CC[NH+](C)CC1 ZINC000846648608 661560584 /nfs/dbraw/zinc/56/05/84/661560584.db2.gz UQTBCROMPWFWAZ-LBPRGKRZSA-N 1 0 383.286 2.800 20 0 GFADRO C[C@H]1C[C@@H](C(=O)NC(C)(C)COc2ncccc2Br)CC[N@@H+]1C ZINC000846654853 661560987 /nfs/dbraw/zinc/56/09/87/661560987.db2.gz IOALZDCGXHRJOS-STQMWFEESA-N 1 0 384.318 2.848 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(C(=O)[C@H](O)c3cc(Cl)cc(Cl)c3)C2)C1 ZINC000846686545 661561621 /nfs/dbraw/zinc/56/16/21/661561621.db2.gz HLRVOJCXCDOYKH-RGXXSHLXSA-N 1 0 387.307 2.772 20 0 GFADRO C[C@@H]1CCCN(C(=O)c2ccc(S(=O)(=O)C(F)(F)F)cc2)[C@H]1CC[NH3+] ZINC000846694078 661561925 /nfs/dbraw/zinc/56/19/25/661561925.db2.gz MFPNWAWVHNUZQZ-RISCZKNCSA-N 1 0 378.416 2.570 20 0 GFADRO CCOC(=O)c1ccc(N2CCC[N@H+](CC3(Br)CC3)CC2)nc1 ZINC000846820841 661566827 /nfs/dbraw/zinc/56/68/27/661566827.db2.gz OJADSWDKZQTBDP-UHFFFAOYSA-N 1 0 382.302 2.698 20 0 GFADRO C[NH+](C)CCN(Cc1cccc(O)c1)C(=O)c1cnc(F)c(Br)c1 ZINC000847589360 661600129 /nfs/dbraw/zinc/60/01/29/661600129.db2.gz HPGHSWHHNXYRNY-UHFFFAOYSA-N 1 0 396.260 2.893 20 0 GFADRO Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000848439410 661648307 /nfs/dbraw/zinc/64/83/07/661648307.db2.gz PLZWOWKQYYIGSF-LLVKDONJSA-N 1 0 378.757 2.652 20 0 GFADRO COC[C@H](CC(C)(C)C)[NH2+]Cc1c(C)nn([C@H]2CCS(=O)(=O)C2)c1Cl ZINC000848566889 661665065 /nfs/dbraw/zinc/66/50/65/661665065.db2.gz LNBUAKXCXWHSAI-KBPBESRZSA-N 1 0 391.965 2.745 20 0 GFADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+][C@H]1C[C@H](OC(C)(C)C)C1 ZINC000848566690 661665520 /nfs/dbraw/zinc/66/55/20/661665520.db2.gz FRKVBHCBUAWXGK-MGPQQGTHSA-N 1 0 389.949 2.640 20 0 GFADRO C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+]C[C@@H]1CN(C2CC2)C(=O)O1 ZINC000848572621 661666029 /nfs/dbraw/zinc/66/60/29/661666029.db2.gz UYXABIJLGLSGQQ-XHDPSFHLSA-N 1 0 396.285 2.739 20 0 GFADRO C[C@@H](NC(=O)N[C@H](C[NH3+])C(F)(F)F)c1nc(-c2ccc(Cl)cc2)no1 ZINC000848597009 661667197 /nfs/dbraw/zinc/66/71/97/661667197.db2.gz DAJAREFUWOUNQW-GMSGAONNSA-N 1 0 377.754 2.640 20 0 GFADRO Cc1csc(-c2ccc(S(=O)(=O)N3CC[C@]4(C3)CCC[NH2+]C4)cc2)n1 ZINC000848600212 661667261 /nfs/dbraw/zinc/66/72/61/661667261.db2.gz LLQWVWOVSHMMEV-GOSISDBHSA-N 1 0 377.535 2.883 20 0 GFADRO [NH2+]=C(NCCCCc1ccc(Cl)s1)N1CCN(c2ncccn2)CC1 ZINC000849002810 661690388 /nfs/dbraw/zinc/69/03/88/661690388.db2.gz HWHQTCUENLYGRC-UHFFFAOYSA-N 1 0 378.933 2.861 20 0 GFADRO [NH2+]=C(NCCCN1CCOCC1)N[C@H]1C[C@H](c2ccc(Br)cc2)C1 ZINC000849085811 661691071 /nfs/dbraw/zinc/69/10/71/661691071.db2.gz WVEQABSRGBKEIN-JCNLHEQBSA-N 1 0 395.345 2.531 20 0 GFADRO Cc1cccc(NC(=[NH2+])NCCNS(=O)(=O)c2ccc(Cl)cc2F)c1 ZINC000849108138 661692411 /nfs/dbraw/zinc/69/24/11/661692411.db2.gz DWRBCSNEIZBOGI-UHFFFAOYSA-N 1 0 384.864 2.702 20 0 GFADRO CC(C)(C)OC(=O)NCCNC(=[NH2+])NCCc1ccc(Br)cc1 ZINC000849112169 661692955 /nfs/dbraw/zinc/69/29/55/661692955.db2.gz YGRGPGYOQKTEAF-UHFFFAOYSA-N 1 0 385.306 2.630 20 0 GFADRO COc1ccc(C[C@@H](CO)CNC(=[NH2+])N2CCC[C@@H](C)C2)cc1Br ZINC000849115215 661693121 /nfs/dbraw/zinc/69/31/21/661693121.db2.gz KCLQMABOCMQFGY-UKRRQHHQSA-N 1 0 398.345 2.865 20 0 GFADRO COC[C@@H](CC[NH2+]C[C@@](C)(O)c1ccc(Br)cc1Cl)OC ZINC000849327488 661706091 /nfs/dbraw/zinc/70/60/91/661706091.db2.gz NCNYPFIKGPBDHY-IUODEOHRSA-N 1 0 380.710 2.951 20 0 GFADRO C[C@]12CC[N@H+](Cc3ccc(N)nc3)C[C@H]1C2(Br)Br ZINC000849350777 661708157 /nfs/dbraw/zinc/70/81/57/661708157.db2.gz VSQZGARUITXYNN-PWSUYJOCSA-N 1 0 375.108 2.992 20 0 GFADRO C[C@H](CN1C(=O)N[C@@H](c2ccccc2Br)C1=O)[NH+]1CCCCC1 ZINC000849352194 661708504 /nfs/dbraw/zinc/70/85/04/661708504.db2.gz RYAOWUSVZOYYGV-DOMZBBRYSA-N 1 0 380.286 2.916 20 0 GFADRO C[C@@H](C1=CC[N@H+](C)CC1)N1C(=O)N[C@H](c2ccccc2Br)C1=O ZINC000849354840 661708885 /nfs/dbraw/zinc/70/88/85/661708885.db2.gz WZLCOBSWHANASV-XHDPSFHLSA-N 1 0 378.270 2.692 20 0 GFADRO CC[NH+]1CCC(CN2C(=O)N[C@H](c3ccccc3Br)C2=O)CC1 ZINC000849353505 661709104 /nfs/dbraw/zinc/70/91/04/661709104.db2.gz DMRRJCFDTMQIKE-OAHLLOKOSA-N 1 0 380.286 2.774 20 0 GFADRO O=S(=O)(N[C@@H]1CC[N@@H+](C2CCCCC2)C1)c1c(Cl)nc2ccccn21 ZINC000849461048 661729997 /nfs/dbraw/zinc/72/99/97/661729997.db2.gz MBXZUCWLKREUGQ-CYBMUJFWSA-N 1 0 382.917 2.673 20 0 GFADRO O=S(=O)(N[C@H]1CC[N@@H+](C2CCCCC2)C1)c1c(Cl)nc2ccccn21 ZINC000849461051 661730010 /nfs/dbraw/zinc/73/00/10/661730010.db2.gz MBXZUCWLKREUGQ-ZDUSSCGKSA-N 1 0 382.917 2.673 20 0 GFADRO CC(C)(C)OC(=O)Nc1ccc(C[NH2+]CC[S@](=O)CC(F)(F)F)cn1 ZINC000850347941 661770788 /nfs/dbraw/zinc/77/07/88/661770788.db2.gz BEKXDQJRXMSEMT-VWLOTQADSA-N 1 0 381.420 2.829 20 0 GFADRO CC1(C)C[C@@H]([NH2+]CCS(=O)(=O)CC(F)(F)F)CN1Cc1ccccc1 ZINC000850364599 661772160 /nfs/dbraw/zinc/77/21/60/661772160.db2.gz LHVXMHAXFDEOMJ-OAHLLOKOSA-N 1 0 378.460 2.606 20 0 GFADRO O=S(=O)(CC[NH2+]C1CCN(Cc2ccccc2Cl)CC1)CC(F)(F)F ZINC000850364850 661772780 /nfs/dbraw/zinc/77/27/80/661772780.db2.gz WFQWBFORHDDPJX-UHFFFAOYSA-N 1 0 398.878 2.871 20 0 GFADRO C[C@H]([NH2+]C1CCN(S(=O)(=O)C(F)(F)F)CC1)c1cc2cnccc2o1 ZINC000850441214 661776242 /nfs/dbraw/zinc/77/62/42/661776242.db2.gz RORQROFVSUAFIK-JTQLQIEISA-N 1 0 377.388 2.792 20 0 GFADRO C[C@@H](Cc1ccccc1)N1CCC([NH2+]CC[S@@](=O)CC(F)(F)F)CC1 ZINC000850492580 661779124 /nfs/dbraw/zinc/77/91/24/661779124.db2.gz FDOHPMQTGGPTPZ-ODCWNRFASA-N 1 0 376.488 2.983 20 0 GFADRO C[C@@H](Cc1ccc(Br)cc1)[NH2+]CCS(=O)(=O)CC(F)(F)F ZINC000850520836 661780856 /nfs/dbraw/zinc/78/08/56/661780856.db2.gz ZMMFXPUEFSZUFK-JTQLQIEISA-N 1 0 388.249 2.947 20 0 GFADRO C[C@H]([NH2+]CC1SCCS1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000850560014 661781600 /nfs/dbraw/zinc/78/16/00/661781600.db2.gz HWEXNAWSJRXTJM-QMMMGPOBSA-N 1 0 397.385 2.553 20 0 GFADRO C[C@H]([NH2+]CC1SCCS1)[C@@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000850562137 661781611 /nfs/dbraw/zinc/78/16/11/661781611.db2.gz XMJASNWLECRRPL-HOCLYGCPSA-N 1 0 382.551 2.808 20 0 GFADRO CC(C)[C@@H](CC[NH2+][C@H](C)C1CCS(=O)(=O)CC1)NC(=O)OC(C)(C)C ZINC000850567031 661781820 /nfs/dbraw/zinc/78/18/20/661781820.db2.gz VKPKWTLYRJVBIM-GDBMZVCRSA-N 1 0 376.563 2.729 20 0 GFADRO CC(C)[C@@H](CC[NH2+][C@@H]1CCCC[C@@H]1S(C)(=O)=O)NC(=O)OC(C)(C)C ZINC000850565481 661781833 /nfs/dbraw/zinc/78/18/33/661781833.db2.gz CCYSGADHOVBYAY-OAGGEKHMSA-N 1 0 376.563 2.871 20 0 GFADRO C[C@@]1(C(=O)Nc2ccc(OCC[NH3+])cc2)CC1(Br)Br ZINC000851634527 661827021 /nfs/dbraw/zinc/82/70/21/661827021.db2.gz HPSXHGZHNZLUMH-LBPRGKRZSA-N 1 0 392.091 2.859 20 0 GFADRO C[C@@H]1CCN(CCn2cnc(Br)n2)CC[N@@H+]1Cc1ccccc1 ZINC000851792582 661832381 /nfs/dbraw/zinc/83/23/81/661832381.db2.gz MJHXPTCMMKSART-OAHLLOKOSA-N 1 0 378.318 2.637 20 0 GFADRO CC(C)([NH2+]C[C@@](O)(C(N)=O)c1ccccc1)c1ccc(Br)cc1 ZINC000851826127 661835677 /nfs/dbraw/zinc/83/56/77/661835677.db2.gz YWESSSFPKYMANV-SFHVURJKSA-N 1 0 377.282 2.647 20 0 GFADRO COc1ccc(C[N@H+](CCn2cnc(Br)n2)CC2CC2)c(OC)c1 ZINC000852013141 661849355 /nfs/dbraw/zinc/84/93/55/661849355.db2.gz BEGCVDRNCAKEBV-UHFFFAOYSA-N 1 0 395.301 2.970 20 0 GFADRO COC(=O)C[C@](C)([NH2+]C[C@H]1COC(C)(C)O1)c1ccc(Br)cc1 ZINC000852043575 661850574 /nfs/dbraw/zinc/85/05/74/661850574.db2.gz DMUUMNJSLDXUCG-YOEHRIQHSA-N 1 0 386.286 2.969 20 0 GFADRO C[C@H]([NH2+]C[C@H](O)c1ccccn1)c1ccc(Br)cc1OCCCO ZINC000852072275 661851636 /nfs/dbraw/zinc/85/16/36/661851636.db2.gz VJOHUBHXRHUXJZ-GUYCJALGSA-N 1 0 395.297 2.990 20 0 GFADRO OCC[C@H]([NH2+]CCn1cnc(Br)n1)c1cccc(C(F)(F)F)c1 ZINC000852113723 661853260 /nfs/dbraw/zinc/85/32/60/661853260.db2.gz GZGHPPDTBILSPT-LBPRGKRZSA-N 1 0 393.207 2.773 20 0 GFADRO C[C@@H]1CCC[C@](CNC(=O)N2CCn3ncc(Br)c3C2)([NH+](C)C)C1 ZINC000852188017 661856080 /nfs/dbraw/zinc/85/60/80/661856080.db2.gz STWHFMPDBBXYCY-DYVFJYSZSA-N 1 0 398.349 2.681 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)NC[C@H](O)c1ccccc1Br ZINC000852414750 661863709 /nfs/dbraw/zinc/86/37/09/661863709.db2.gz UDWHSUTXZHIVJT-DOMZBBRYSA-N 1 0 384.318 2.655 20 0 GFADRO O=C(CCC[N@@H+]1CC[C@@H](N2CCOC2=O)C1)c1ccc(Br)cc1 ZINC000852438039 661864078 /nfs/dbraw/zinc/86/40/78/661864078.db2.gz LSZBYVUYGOMMFT-OAHLLOKOSA-N 1 0 381.270 2.939 20 0 GFADRO COC(=O)NC1CC[NH+](CCC(=O)Nc2ccccc2Br)CC1 ZINC000852769829 661873923 /nfs/dbraw/zinc/87/39/23/661873923.db2.gz UNEQPBMQZCQDKH-UHFFFAOYSA-N 1 0 384.274 2.598 20 0 GFADRO Cc1nc(-c2ccc(CCNC(=O)[C@@H]3[NH2+]CC34CCOCC4)s2)cs1 ZINC000852777734 661874296 /nfs/dbraw/zinc/87/42/96/661874296.db2.gz WCISUJFQASBDIJ-INIZCTEOSA-N 1 0 377.535 2.607 20 0 GFADRO CC(C)(C)n1ncc(C(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)c1Br ZINC000852818404 661875094 /nfs/dbraw/zinc/87/50/94/661875094.db2.gz IUAQZCQRMFCCIW-CYBMUJFWSA-N 1 0 383.334 2.862 20 0 GFADRO CC(C)(C)n1ncc(C(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1Br ZINC000852819711 661875273 /nfs/dbraw/zinc/87/52/73/661875273.db2.gz FWEROXCAFNGLKT-STQMWFEESA-N 1 0 383.334 2.862 20 0 GFADRO O=C(C=C1CC[NH2+]CC1)Nc1cc(F)c(I)c(F)c1 ZINC000852827332 661875472 /nfs/dbraw/zinc/87/54/72/661875472.db2.gz GNUNXSUZFYXQAR-UHFFFAOYSA-N 1 0 378.160 2.818 20 0 GFADRO Cc1ccc(-n2nc(Br)cc2C(=O)NCC2([NH3+])CCCC2)cc1 ZINC000852852401 661875836 /nfs/dbraw/zinc/87/58/36/661875836.db2.gz WTOPYNJANWOREQ-UHFFFAOYSA-N 1 0 377.286 2.945 20 0 GFADRO C[NH2+]C[C@@H](C)NC(=O)c1ccccc1N(C)C(=O)c1ccc(Br)o1 ZINC000852921020 661877145 /nfs/dbraw/zinc/87/71/45/661877145.db2.gz IDGMWHVYBPASLX-LLVKDONJSA-N 1 0 394.269 2.656 20 0 GFADRO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)NCC[C@@H]([NH3+])C(C)C ZINC000852917599 661877222 /nfs/dbraw/zinc/87/72/22/661877222.db2.gz NKHLCHLLMUFBNM-CYBMUJFWSA-N 1 0 381.270 2.967 20 0 GFADRO CN(c1ncnc(F)c1Br)C1CC[NH+](CCc2ccccn2)CC1 ZINC000853244569 661885927 /nfs/dbraw/zinc/88/59/27/661885927.db2.gz KSYFFXJFUKFSMD-UHFFFAOYSA-N 1 0 394.292 2.917 20 0 GFADRO CCc1nn(CN2CC[NH+](CCCOCC(F)(F)F)CC2)c(=S)s1 ZINC000853493997 661890169 /nfs/dbraw/zinc/89/01/69/661890169.db2.gz WYJRBUIHDYZTLV-UHFFFAOYSA-N 1 0 384.493 2.781 20 0 GFADRO CN(C)c1nn(CN2CC[C@@H]([N@H+](C)CCc3ccccc3)C2)c(=S)s1 ZINC000853561163 661892676 /nfs/dbraw/zinc/89/26/76/661892676.db2.gz UXALSRMBGJSLJS-MRXNPFEDSA-N 1 0 377.583 2.946 20 0 GFADRO Brc1csc(Cc2noc(-c3c[nH]nc3[C@@H]3CC[NH2+]C3)n2)c1 ZINC000854155006 661916875 /nfs/dbraw/zinc/91/68/75/661916875.db2.gz NUNUOTQFVPBHQR-MRVPVSSYSA-N 1 0 380.271 2.951 20 0 GFADRO O=C(NC[C@@H]1C[N@@H+]2CCN1CCC2)C(F)(F)c1cccc(Cl)c1Cl ZINC000854354339 661927980 /nfs/dbraw/zinc/92/79/80/661927980.db2.gz QDEORIFKYGDCSQ-LLVKDONJSA-N 1 0 378.250 2.591 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)CN2C(=S)N=NC2c2cccs2)C1 ZINC000855159973 661974289 /nfs/dbraw/zinc/97/42/89/661974289.db2.gz KSDOVTNGJBTTFY-LBPRGKRZSA-N 1 0 379.555 2.532 20 0 GFADRO Cc1ccc(/C=C/C(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)c(Br)c1 ZINC000856253676 662026833 /nfs/dbraw/zinc/02/68/33/662026833.db2.gz DISMOXLFZTZSQZ-BDUNBXCCSA-N 1 0 393.325 2.828 20 0 GFADRO Cc1ccc(/C=C\C(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)c(Br)c1 ZINC000856253682 662026884 /nfs/dbraw/zinc/02/68/84/662026884.db2.gz DISMOXLFZTZSQZ-VGOKWCNXSA-N 1 0 393.325 2.828 20 0 GFADRO C[NH+](C)CCC[C@H]1CN(C(=O)c2cnc(Cl)c(Br)c2)CCO1 ZINC000856429490 662033484 /nfs/dbraw/zinc/03/34/84/662033484.db2.gz HGRSEWOPXKHEPB-LBPRGKRZSA-N 1 0 390.709 2.680 20 0 GFADRO C[NH+](C)CCC[C@H]1CN(C(=O)c2sc(N3CCCC3)nc2Cl)CCO1 ZINC000856430176 662033561 /nfs/dbraw/zinc/03/35/61/662033561.db2.gz SQKLNJOUCIQONG-ZDUSSCGKSA-N 1 0 386.949 2.580 20 0 GFADRO O=C(NC[C@H]1CCC[N@H+](CC2CC2)C1)c1c(Br)nc2n1CCCC2 ZINC000856475940 662035477 /nfs/dbraw/zinc/03/54/77/662035477.db2.gz HFYCSSVFYREKIE-CQSZACIVSA-N 1 0 395.345 2.834 20 0 GFADRO C[N@H+](CCOC(=O)c1cc(Br)c[nH]c1=O)Cc1ccc(F)cc1 ZINC000856986809 662056491 /nfs/dbraw/zinc/05/64/91/662056491.db2.gz AAYCTZIGKUEVJL-UHFFFAOYSA-N 1 0 383.217 2.978 20 0 GFADRO C[NH+](C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC[C@@H]1CC1(Cl)Cl ZINC000857389680 662078485 /nfs/dbraw/zinc/07/84/85/662078485.db2.gz PWBARGSRONERRB-VXGBXAGGSA-N 1 0 382.332 2.532 20 0 GFADRO C[N@@H+]1CCCC[C@@H]1CCC(=O)N1CC(O)(c2cccc(Br)c2)C1 ZINC000857419679 662079497 /nfs/dbraw/zinc/07/94/97/662079497.db2.gz UJGQVJWTWVDLCQ-MRXNPFEDSA-N 1 0 381.314 2.743 20 0 GFADRO C[NH+]1CCN(c2ccccc2NC(=O)c2cc(Br)c[nH]c2=O)CC1 ZINC000857708859 662087917 /nfs/dbraw/zinc/08/79/17/662087917.db2.gz NCODZGRDEMIMLK-UHFFFAOYSA-N 1 0 391.269 2.554 20 0 GFADRO C[NH+](C)[C@@H]1CCc2cc(Br)ccc2N(C(=O)Cc2ccon2)C1 ZINC000857881434 662093578 /nfs/dbraw/zinc/09/35/78/662093578.db2.gz VFANESYJYPNNEB-OAHLLOKOSA-N 1 0 378.270 2.889 20 0 GFADRO Cn1ccc(C(=O)N2C[C@@H]([NH+](C)C)CCc3cc(Br)ccc32)n1 ZINC000857883264 662093611 /nfs/dbraw/zinc/09/36/11/662093611.db2.gz OLLOTVDUNOVDJJ-AWEZNQCLSA-N 1 0 377.286 2.706 20 0 GFADRO C[NH+](C)[C@@H]1CCc2cc(Br)ccc2N(C(=O)c2cnccn2)C1 ZINC000857882384 662093635 /nfs/dbraw/zinc/09/36/35/662093635.db2.gz JGUZNEKFDTUOJP-CQSZACIVSA-N 1 0 375.270 2.762 20 0 GFADRO CCS(=O)(=O)N(C)CCC[NH2+]Cc1cc(C)c(F)cc1Br ZINC000858097781 662098647 /nfs/dbraw/zinc/09/86/47/662098647.db2.gz YXDIEXVTFCMKNM-UHFFFAOYSA-N 1 0 381.311 2.658 20 0 GFADRO COc1cc(OCC[NH+](C)C)ccc1NCc1cn(C)nc1Br ZINC000858176987 662103335 /nfs/dbraw/zinc/10/33/35/662103335.db2.gz JWGNJITYBIIDEE-UHFFFAOYSA-N 1 0 383.290 2.744 20 0 GFADRO COc1ncc(Br)cc1CNC(=O)NC[C@@H](C)[NH+]1CCCCC1 ZINC000858277265 662106945 /nfs/dbraw/zinc/10/69/45/662106945.db2.gz KCYSXYKHCOIRNA-GFCCVEGCSA-N 1 0 385.306 2.526 20 0 GFADRO CS(=O)(=O)CCOCC[NH2+][C@@H]1CCCC[C@@H]1Sc1ccc(F)cc1 ZINC000858383400 662110341 /nfs/dbraw/zinc/11/03/41/662110341.db2.gz XRVCARIBRZIQQZ-SJORKVTESA-N 1 0 375.531 2.880 20 0 GFADRO CS(=O)(=O)CCOCC[NH2+][C@@H]1CCCC[C@H]1Sc1ccc(F)cc1 ZINC000858383396 662110386 /nfs/dbraw/zinc/11/03/86/662110386.db2.gz XRVCARIBRZIQQZ-IAGOWNOFSA-N 1 0 375.531 2.880 20 0 GFADRO CC(C)(C)OC(=O)NCCCOCC[NH2+][C@@H]1CC[C@@H]2SCCS[C@@H]12 ZINC000858532752 662114223 /nfs/dbraw/zinc/11/42/23/662114223.db2.gz MVFSXZHGGRJEOP-ILXRZTDVSA-N 1 0 376.588 2.887 20 0 GFADRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2ccc(Cl)nc2Cl)CC[C@@H]1C(F)(F)F ZINC000858622851 662117013 /nfs/dbraw/zinc/11/70/13/662117013.db2.gz AVZPIBAEIRNMLM-SFYZADRCSA-N 1 0 392.230 2.536 20 0 GFADRO [NH3+]Cc1cccc2c1N(S(=O)(=O)c1c(Cl)nc3sccn31)CCC2 ZINC000858623578 662117048 /nfs/dbraw/zinc/11/70/48/662117048.db2.gz WNRIKTXOWXQXRG-UHFFFAOYSA-N 1 0 382.898 2.649 20 0 GFADRO [NH3+]C[C@H]1CN(S(=O)(=O)c2cnc(Cl)c(Cl)c2)CC[C@@H]1C(F)(F)F ZINC000858623943 662117071 /nfs/dbraw/zinc/11/70/71/662117071.db2.gz QFNZNQVFKLSSBI-CBAPKCEASA-N 1 0 392.230 2.536 20 0 GFADRO O=S(=O)(/C=C/c1ccccc1Cl)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000858644568 662117890 /nfs/dbraw/zinc/11/78/90/662117890.db2.gz WVHHQCKWLNOJEA-FWVUHSSSSA-N 1 0 384.929 2.731 20 0 GFADRO COC(=O)Nc1ccc(S(=O)(=O)NC[C@H](C)[NH+]2CCCCC2)cc1Cl ZINC000858913622 662127535 /nfs/dbraw/zinc/12/75/35/662127535.db2.gz CILKULZNVZOHSL-LBPRGKRZSA-N 1 0 389.905 2.671 20 0 GFADRO O=C(OCc1ccc(Br)cc1)N1CC[NH+](C2CCOCC2)CC1 ZINC000859049248 662133880 /nfs/dbraw/zinc/13/38/80/662133880.db2.gz JTBIIAZAIWICEH-UHFFFAOYSA-N 1 0 383.286 2.882 20 0 GFADRO CCCN(CC[NH+](CC)CC)S(=O)(=O)c1ccc(Br)nc1F ZINC000859110060 662138137 /nfs/dbraw/zinc/13/81/37/662138137.db2.gz YLOAOSKBHLSFQH-UHFFFAOYSA-N 1 0 396.326 2.726 20 0 GFADRO CC[NH+]1CCN([C@H](C)CNC(=O)/C=C/c2csc(C(F)(F)F)c2)CC1 ZINC000859355347 662155733 /nfs/dbraw/zinc/15/57/33/662155733.db2.gz KBQVJBUDMMSAMW-MUBLQREKSA-N 1 0 375.460 2.922 20 0 GFADRO C[N@@H+]1CCCN(CCCNC(=O)/C=C\c2csc(C(F)(F)F)c2)CC1 ZINC000859364067 662156550 /nfs/dbraw/zinc/15/65/50/662156550.db2.gz FTNHMNQYHBOVAS-PLNGDYQASA-N 1 0 375.460 2.924 20 0 GFADRO OC[C@@H]1CCC2(CCOCC2)C[N@@H+]1C[C@@H](O)c1ccc(Br)cc1 ZINC000859520196 662166202 /nfs/dbraw/zinc/16/62/02/662166202.db2.gz FYGIFOUKLTZFRO-DLBZAZTESA-N 1 0 384.314 2.736 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)Nc2ccc(Br)nc2)CC[C@H]1C(F)(F)F ZINC000859663564 662171626 /nfs/dbraw/zinc/17/16/26/662171626.db2.gz RASPMABKXCRNJL-WCBMZHEXSA-N 1 0 381.196 2.835 20 0 GFADRO Cc1nn(C)c(NC(=O)N(C)C[C@H](C)[NH3+])c1-c1ccc(Br)cc1 ZINC000859670654 662171892 /nfs/dbraw/zinc/17/18/92/662171892.db2.gz WYJDIJMVTVBKGX-JTQLQIEISA-N 1 0 380.290 2.969 20 0 GFADRO O=C([O-])C[NH+]1CCC([NH2+][C@H]2C[C@H](c3ccc(F)c(Br)c3)C2)CC1 ZINC000859798935 662175545 /nfs/dbraw/zinc/17/55/45/662175545.db2.gz NNDMYHNWZAHDTR-MQMHXKEQSA-N 1 0 385.277 2.973 20 0 GFADRO C[C@@H]1C[N@@H+](CCCCNC(=O)c2cc(Br)cc(C=O)c2)C[C@H](C)O1 ZINC000859940997 662179700 /nfs/dbraw/zinc/17/97/00/662179700.db2.gz ITCVSLFOEMDWJR-OKILXGFUSA-N 1 0 397.313 2.881 20 0 GFADRO CC[NH+](CC)CCNC(=O)c1ccc(OC(=O)[C@H]2C[C@]2(C)Br)cc1 ZINC000860551701 662205281 /nfs/dbraw/zinc/20/52/81/662205281.db2.gz FRMKHWINCDQDSL-QAPCUYQASA-N 1 0 397.313 2.837 20 0 GFADRO Cc1cc(Br)ncc1NC(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000860751912 662213052 /nfs/dbraw/zinc/21/30/52/662213052.db2.gz JMQBDBWEEFORDI-UHFFFAOYSA-N 1 0 397.317 2.871 20 0 GFADRO CC[C@H](C(=O)N1CC[N@H+](C[C@H](C)O)C[C@@H]1C)c1ccc(Br)cc1 ZINC000860975458 662222535 /nfs/dbraw/zinc/22/25/35/662222535.db2.gz AXITVIJZBIDTFZ-ZQIUZPCESA-N 1 0 383.330 2.856 20 0 GFADRO COCC[N@@H+]1CCC[C@H]1COC(=O)c1c(C)nc2ccc(Br)cn21 ZINC000861035884 662225072 /nfs/dbraw/zinc/22/50/72/662225072.db2.gz IARAYYIATWVYDJ-AWEZNQCLSA-N 1 0 396.285 2.673 20 0 GFADRO CC[N@H+](CCNC(=O)c1cc(Br)cnc1F)CCC(F)(F)F ZINC000861318521 662238784 /nfs/dbraw/zinc/23/87/84/662238784.db2.gz OHUGTZFENCHRFH-UHFFFAOYSA-N 1 0 386.187 2.987 20 0 GFADRO COc1cc(C(=O)OC[C@]2(C)C[C@@H](OC)C[N@@H+]2C)sc1Br ZINC000861351200 662241633 /nfs/dbraw/zinc/24/16/33/662241633.db2.gz SUHGIIJMLDWMDB-OTYXRUKQSA-N 1 0 378.288 2.785 20 0 GFADRO CO[C@H](C(=O)OC[C@]1(C)C[C@H](OC)C[N@@H+]1C)c1ccccc1Br ZINC000861356365 662242184 /nfs/dbraw/zinc/24/21/84/662242184.db2.gz KBDAWCNZCPGABI-NUTKFTJISA-N 1 0 386.286 2.789 20 0 GFADRO C[C@@H]1CC[C@@H](NC(=O)C(=O)Nc2cccc(Cl)c2SC(F)F)C[NH2+]1 ZINC000861523409 662248805 /nfs/dbraw/zinc/24/88/05/662248805.db2.gz GTHMHHFSDIFWOZ-RKDXNWHRSA-N 1 0 377.844 2.850 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)N[C@@H]2CC[C@@H]3SCCS[C@H]23)CC[C@H]1C(F)(F)F ZINC000861615774 662251152 /nfs/dbraw/zinc/25/11/52/662251152.db2.gz WSEAPCWMXDWYHT-NJMOYASZSA-N 1 0 383.505 2.535 20 0 GFADRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCO[C@@H](c2ccccc2Br)C1 ZINC000861675181 662254639 /nfs/dbraw/zinc/25/46/39/662254639.db2.gz KIKPDKBNGVXALS-ARFHVFGLSA-N 1 0 382.302 2.673 20 0 GFADRO OCCCC[NH+]1CCN(Cc2c[nH]nc2-c2ccc(Br)s2)CC1 ZINC000862242618 662276775 /nfs/dbraw/zinc/27/67/75/662276775.db2.gz LIYMJHTVIHQJPQ-UHFFFAOYSA-N 1 0 399.358 2.791 20 0 GFADRO Cc1cc(C[N@@H+]2CCC[C@H]2C[C@]2(C)NC(=O)NC2=O)c(Br)cc1F ZINC000862364880 662282909 /nfs/dbraw/zinc/28/29/09/662282909.db2.gz IRWUZFSGEXSYCV-SJCJKPOMSA-N 1 0 398.276 2.849 20 0 GFADRO C[N@@H+]1CCCC[C@H](CNC(=O)[C@]2(C)CC2(Br)Br)C1 ZINC000862796559 662301798 /nfs/dbraw/zinc/30/17/98/662301798.db2.gz RPAUIQDIDWPMNB-PWSUYJOCSA-N 1 0 382.140 2.731 20 0 GFADRO C[N@@H+]1CCCC[C@H](CNC(=O)/C=C/c2ccc(I)o2)C1 ZINC000862790708 662301836 /nfs/dbraw/zinc/30/18/36/662301836.db2.gz UTPBLHXBGMSUKR-WAFBPQNNSA-N 1 0 388.249 2.746 20 0 GFADRO COC(=O)c1cn(C[N@@H+]2C[C@@H](c3ccc(Br)cc3)C[C@H]2C)nn1 ZINC000863323305 662320717 /nfs/dbraw/zinc/32/07/17/662320717.db2.gz KBAWMVKWFADOKG-YPMHNXCESA-N 1 0 379.258 2.663 20 0 GFADRO C[NH+]1CCC(CC(=O)N2CC[C@@H](O)[C@H]2c2ccc(Br)cc2)CC1 ZINC000863579885 662338364 /nfs/dbraw/zinc/33/83/64/662338364.db2.gz RZMCTCAJFCIJIO-SJLPKXTDSA-N 1 0 381.314 2.815 20 0 GFADRO [NH3+][C@@H]1CC=C(c2nc(Cc3cc(Br)c4c(c3)OCCO4)no2)C1 ZINC000863667737 662342851 /nfs/dbraw/zinc/34/28/51/662342851.db2.gz OUJGQXLFJCQRMH-LLVKDONJSA-N 1 0 378.226 2.699 20 0 GFADRO C[N@H+](CC(=O)N1CC[C@@]2(C)[C@@H](C1)C2(Br)Br)C1CCC1 ZINC000863930972 662350065 /nfs/dbraw/zinc/35/00/65/662350065.db2.gz WGYZCHTWXBNTCL-YPMHNXCESA-N 1 0 394.151 2.825 20 0 GFADRO CN(C)C(=O)CN(CC[NH+](C)C)C(=S)Nc1c(F)cc(Cl)cc1Cl ZINC000865239574 662407295 /nfs/dbraw/zinc/40/72/95/662407295.db2.gz GTDLYAUNIGYTNU-UHFFFAOYSA-N 1 0 395.331 2.781 20 0 GFADRO COc1ncc(Br)cc1C[NH2+]CCCS(=O)(=O)c1ccccc1 ZINC000865432018 662421209 /nfs/dbraw/zinc/42/12/09/662421209.db2.gz VUDARQHRWCXBIA-UHFFFAOYSA-N 1 0 399.310 2.806 20 0 GFADRO COCCNS(=O)(=O)c1cccc(C[NH2+]Cc2cccc(Cl)c2C)c1 ZINC000865468881 662423276 /nfs/dbraw/zinc/42/32/76/662423276.db2.gz FUFMNADQAULVEH-UHFFFAOYSA-N 1 0 382.913 2.863 20 0 GFADRO Brc1cccc(NCCCC[NH+]2CCN(c3ncccn3)CC2)n1 ZINC000865510362 662425994 /nfs/dbraw/zinc/42/59/94/662425994.db2.gz SFQBCNXVZAWWRY-UHFFFAOYSA-N 1 0 391.317 2.648 20 0 GFADRO NC(=O)[C@@H](C[NH2+]Cc1cccnc1Br)Cc1ccccc1Cl ZINC000865522197 662426434 /nfs/dbraw/zinc/42/64/34/662426434.db2.gz NQDIEKYMSBSCOG-CYBMUJFWSA-N 1 0 382.689 2.931 20 0 GFADRO CC(C)[C@@H]([NH2+]Cc1ccc(Cl)c(S(N)(=O)=O)c1)[C@H](O)c1ccccc1 ZINC000865547092 662428507 /nfs/dbraw/zinc/42/85/07/662428507.db2.gz NYEMPESNSWOOGG-QZTJIDSGSA-N 1 0 382.913 2.835 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@@H](Nc2cccc(OC(F)(F)F)c2S(N)(=O)=O)C1 ZINC000865587386 662430886 /nfs/dbraw/zinc/43/08/86/662430886.db2.gz NJRHPRJBCANEHG-GHMZBOCLSA-N 1 0 381.420 2.517 20 0 GFADRO CCCn1cc(C[NH2+]C[C@@H](CO)Cc2cccc(Br)c2C)nn1 ZINC000865594552 662431439 /nfs/dbraw/zinc/43/14/39/662431439.db2.gz XLYVOHFYABTJJA-AWEZNQCLSA-N 1 0 381.318 2.700 20 0 GFADRO C[NH+](C)C1CCN(C(=O)c2cc(Br)ncc2Br)CC1 ZINC000865620790 662432341 /nfs/dbraw/zinc/43/23/41/662432341.db2.gz PYCAKMGLXCOHTK-UHFFFAOYSA-N 1 0 391.107 2.773 20 0 GFADRO C/C(=C/c1ccc(Br)o1)C(=O)N(C)CCCN1CC[NH+](C)CC1 ZINC000865675055 662435566 /nfs/dbraw/zinc/43/55/66/662435566.db2.gz IBESTYDDKDADHB-YPKPFQOOSA-N 1 0 384.318 2.541 20 0 GFADRO CC(C)[N@H+](C)CCNC(=O)c1cc(Br)ncc1Br ZINC000865819746 662445640 /nfs/dbraw/zinc/44/56/40/662445640.db2.gz SDUYFBUZDBTAOT-UHFFFAOYSA-N 1 0 379.096 2.677 20 0 GFADRO Brc1ccc2c(c1)[C@H]1[C@H]([NH2+]Cc3cn(C[C@H]4CCCO4)nn3)[C@H]1C2 ZINC000865835680 662446476 /nfs/dbraw/zinc/44/64/76/662446476.db2.gz VWUKNAMSEIACAA-BZZMCLGOSA-N 1 0 389.297 2.648 20 0 GFADRO Brc1ccc2c(c1)[C@@H]1[C@H](C2)[C@@H]1[NH2+]Cc1cn(C[C@@H]2CCOC2)nn1 ZINC000865835511 662446531 /nfs/dbraw/zinc/44/65/31/662446531.db2.gz SUUWJKJIENBKDS-ZBXQAEIJSA-N 1 0 389.297 2.505 20 0 GFADRO C/C(=C\c1ccc(Br)o1)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000865896360 662449779 /nfs/dbraw/zinc/44/97/79/662449779.db2.gz HDXOCGWFUSIPHL-OKFGHLOFSA-N 1 0 396.329 2.684 20 0 GFADRO C[C@H]1C[C@@H](NC(=O)c2cc(Br)ncc2Br)CC[N@@H+]1C ZINC000866072678 662459447 /nfs/dbraw/zinc/45/94/47/662459447.db2.gz MFNYQJJKUUVGRY-IUCAKERBSA-N 1 0 391.107 2.819 20 0 GFADRO CN1CC[NH+](C2CCN(C(=O)c3nc4cc(Cl)ccc4s3)CC2)CC1 ZINC000866153898 662461926 /nfs/dbraw/zinc/46/19/26/662461926.db2.gz LFBDTSIYQXGDDS-UHFFFAOYSA-N 1 0 378.929 2.802 20 0 GFADRO COc1ccc(S(=O)(=O)N2CCC([NH2+]CC[C@H]3CCSC3)CC2)cc1 ZINC000866401686 662470365 /nfs/dbraw/zinc/47/03/65/662470365.db2.gz DKHHBVSUJAHPLH-HNNXBMFYSA-N 1 0 384.567 2.581 20 0 GFADRO C[C@H]([NH2+]CC[C@H]1CCCS1)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000866479716 662475891 /nfs/dbraw/zinc/47/58/91/662475891.db2.gz YGMVFBKQHGEUFO-DOTOQJQBSA-N 1 0 384.567 2.644 20 0 GFADRO COc1ccc(S(=O)(=O)N2CCC([NH2+]CC[C@@H]3CCCS3)CC2)cc1 ZINC000866482154 662475963 /nfs/dbraw/zinc/47/59/63/662475963.db2.gz XZKQOFOMXCUDOM-KRWDZBQOSA-N 1 0 384.567 2.724 20 0 GFADRO C[NH+](C)CCOc1cccc(CNS(=O)(=O)C[C@]2(C)CC2(Cl)Cl)c1 ZINC000866527012 662478872 /nfs/dbraw/zinc/47/88/72/662478872.db2.gz SJXLBSQEEPJURO-HNNXBMFYSA-N 1 0 395.352 2.630 20 0 GFADRO Brc1cccc2c1C[C@H]([NH2+]C1CCN([C@@H]3CCOC3)CC1)CO2 ZINC000866594739 662482745 /nfs/dbraw/zinc/48/27/45/662482745.db2.gz MGZDSVRRALAYLO-LSDHHAIUSA-N 1 0 381.314 2.596 20 0 GFADRO O=C1O[C@H]2C[NH2+]C[C@H]2N1C1CCN(Cc2cc(Cl)cc(Cl)c2F)CC1 ZINC000866669175 662488529 /nfs/dbraw/zinc/48/85/29/662488529.db2.gz SQBXTQOFWUCYMR-CABCVRRESA-N 1 0 388.270 2.890 20 0 GFADRO [NH3+]C[C@H]1CN(S(=O)(=O)c2cc(Cl)cnc2Cl)CC[C@@H]1C(F)(F)F ZINC000866778565 662497772 /nfs/dbraw/zinc/49/77/72/662497772.db2.gz ACHAIBJPCGPRGZ-CBAPKCEASA-N 1 0 392.230 2.536 20 0 GFADRO [NH3+][C@H]1C[C@@H](CNS(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 ZINC000866805926 662500067 /nfs/dbraw/zinc/50/00/67/662500067.db2.gz CCDXATGDGHGIDY-WKFQBHICSA-N 1 0 376.322 2.740 20 0 GFADRO C[C@H](NS(=O)(=O)Cc1cc(Cl)ccc1Br)C1CC[NH2+]CC1 ZINC000866812932 662501080 /nfs/dbraw/zinc/50/10/80/662501080.db2.gz SFDLVBWGLOSPTO-JTQLQIEISA-N 1 0 395.750 2.910 20 0 GFADRO COc1cc(OC)c(S(=O)(=O)N2CC[C@@](C[NH3+])(C(C)(C)C)C2)cc1Cl ZINC000866814819 662501336 /nfs/dbraw/zinc/50/13/36/662501336.db2.gz VHGAKHKOXKULAL-KRWDZBQOSA-N 1 0 390.933 2.743 20 0 GFADRO O=S(=O)(c1cc(Cl)ccc1Br)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000866826048 662502402 /nfs/dbraw/zinc/50/24/02/662502402.db2.gz VAFVVHVDGOIHII-RYUDHWBXSA-N 1 0 379.707 2.618 20 0 GFADRO O=S(=O)(c1ccc(Br)cc1Cl)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000866829932 662502616 /nfs/dbraw/zinc/50/26/16/662502616.db2.gz AHKSQPJBNMMFRB-VXGBXAGGSA-N 1 0 379.707 2.618 20 0 GFADRO CS[C@H]1CN(S(=O)(=O)c2cc(Cl)cnc2Cl)C[C@@H]1[NH+]1CCCC1 ZINC000867125433 662525338 /nfs/dbraw/zinc/52/53/38/662525338.db2.gz VGXXRPGQBYLRLK-RYUDHWBXSA-N 1 0 396.365 2.589 20 0 GFADRO CCN(CCC[NH+]1CCCC1)S(=O)(=O)c1cc2nc(Cl)ncc2s1 ZINC000867172110 662528317 /nfs/dbraw/zinc/52/83/17/662528317.db2.gz PIDJUJLZOWJPNI-UHFFFAOYSA-N 1 0 388.946 2.841 20 0 GFADRO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000867376452 662546297 /nfs/dbraw/zinc/54/62/97/662546297.db2.gz RNROUZLNXTVJAN-CJNGLKHVSA-N 1 0 384.307 2.504 20 0 GFADRO COc1cc(S(=O)(=O)N(CC(C)C)CC2CC[NH+](C)CC2)cnc1Cl ZINC000867864966 662584220 /nfs/dbraw/zinc/58/42/20/662584220.db2.gz PJPHYZORHZGTRK-UHFFFAOYSA-N 1 0 389.949 2.732 20 0 GFADRO [NH3+][C@H](C(=O)Nc1cccc(N2CCOCC2)c1)c1cccc(Br)c1 ZINC000867955340 662589274 /nfs/dbraw/zinc/58/92/74/662589274.db2.gz YJAYFWJBVWUZAF-KRWDZBQOSA-N 1 0 390.281 2.924 20 0 GFADRO O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)c1ccc(OC(F)(F)F)cc1Br ZINC000867975231 662590200 /nfs/dbraw/zinc/59/02/00/662590200.db2.gz RPVVJRNLZKSGMP-YUMQZZPRSA-N 1 0 385.155 2.778 20 0 GFADRO C[NH+](C)CC1(NC(=O)c2cc(Br)ncc2Br)CCC1 ZINC000868020843 662591699 /nfs/dbraw/zinc/59/16/99/662591699.db2.gz IXGGUSMOXBLYFY-UHFFFAOYSA-N 1 0 391.107 2.821 20 0 GFADRO COC[C@@H](NC(=O)C1([NH3+])Cc2ccccc2C1)c1cccc(Br)c1 ZINC000868025191 662591850 /nfs/dbraw/zinc/59/18/50/662591850.db2.gz XCFWAKOTMYOGDS-QGZVFWFLSA-N 1 0 389.293 2.749 20 0 GFADRO COC[C@H](NC(=O)[C@H](C[NH3+])c1ccccc1)c1cccc(Br)c1 ZINC000868023954 662591859 /nfs/dbraw/zinc/59/18/59/662591859.db2.gz CYYLCWSQXUSNCT-SJORKVTESA-N 1 0 377.282 2.995 20 0 GFADRO Cc1cc(COc2ccc(C(=O)N3CC[C@](C)([NH3+])C3)cc2Br)on1 ZINC000868075741 662593651 /nfs/dbraw/zinc/59/36/51/662593651.db2.gz PMJIWZOCRBZJHR-KRWDZBQOSA-N 1 0 394.269 2.888 20 0 GFADRO CC1(C)C[NH2+]CC[C@H](NC(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)C1 ZINC000868095873 662594608 /nfs/dbraw/zinc/59/46/08/662594608.db2.gz YWRQXOJYXAMNRY-LBPRGKRZSA-N 1 0 375.441 2.583 20 0 GFADRO COc1cc(Br)c(NC(=O)N2CCC[C@H]3[NH2+]CC[C@@H]32)cc1OC ZINC000868113294 662594798 /nfs/dbraw/zinc/59/47/98/662594798.db2.gz ZNOHUVZCMNZRHG-YPMHNXCESA-N 1 0 384.274 2.825 20 0 GFADRO O=C(Nc1ccc(F)cc1I)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000868129446 662595300 /nfs/dbraw/zinc/59/53/00/662595300.db2.gz CPCFTXRBRYMFDV-STQMWFEESA-N 1 0 389.212 2.789 20 0 GFADRO O=C(Nc1cccc(F)c1I)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000868139074 662595782 /nfs/dbraw/zinc/59/57/82/662595782.db2.gz OSGMGERVKZTMFT-PWSUYJOCSA-N 1 0 389.212 2.789 20 0 GFADRO [NH3+]CC12CCC(CC1)N2C(=O)Nc1cccc(F)c1I ZINC000868139500 662595808 /nfs/dbraw/zinc/59/58/08/662595808.db2.gz XDQUDCCKYWHFHE-UHFFFAOYSA-N 1 0 389.212 2.918 20 0 GFADRO [NH3+][C@H]1C[C@H](CNC(=O)Nc2ccnn2Cc2cccc(Br)c2)C1 ZINC000868150543 662596445 /nfs/dbraw/zinc/59/64/45/662596445.db2.gz KIRCWLLXCPNLNG-MQMHXKEQSA-N 1 0 378.274 2.553 20 0 GFADRO [NH3+][C@@H]1C[C@H]1c1ccc(NC(=O)C(=O)N2CCc3sc(Cl)cc3C2)cc1 ZINC000868254612 662599431 /nfs/dbraw/zinc/59/94/31/662599431.db2.gz ZYUKQINKJATYHJ-UONOGXRCSA-N 1 0 375.881 2.740 20 0 GFADRO [NH3+]CC12CCC(CC1)N2C(=O)C(=O)Nc1cccc(Cl)c1Br ZINC000868288962 662600500 /nfs/dbraw/zinc/60/05/00/662600500.db2.gz HIIJGQYHIQGZDS-UHFFFAOYSA-N 1 0 386.677 2.523 20 0 GFADRO CC(C)(C)[C@@]1(C[NH3+])CCN(C(=O)C(=O)Nc2ccc(Br)cc2)C1 ZINC000868310530 662601517 /nfs/dbraw/zinc/60/15/17/662601517.db2.gz VATJGPHJIIQJMW-QGZVFWFLSA-N 1 0 382.302 2.611 20 0 GFADRO COC[C@H](NC(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1)c1cccc(Br)c1 ZINC000868374779 662603562 /nfs/dbraw/zinc/60/35/62/662603562.db2.gz UBVQOBFEQGFCNX-RCBQFDQVSA-N 1 0 384.318 2.919 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(C(=O)N[C@@H]3[C@H]4Cc5cc(Br)ccc5[C@@H]34)CC[C@H]21 ZINC000868910585 662624523 /nfs/dbraw/zinc/62/45/23/662624523.db2.gz VKUPSZKDHAKUFZ-JDHAIZTISA-N 1 0 390.325 2.823 20 0 GFADRO CC(C)(CNC(=O)NCc1ncc(Br)s1)C[NH+]1CCCC1 ZINC000869196697 662634802 /nfs/dbraw/zinc/63/48/02/662634802.db2.gz JIJDCHWZRLHUKI-UHFFFAOYSA-N 1 0 375.336 2.827 20 0 GFADRO CN(C[C@H](O)COc1cc(Cl)cc(Cl)c1)C(=O)C1CC[NH+](C)CC1 ZINC000869713789 662658752 /nfs/dbraw/zinc/65/87/52/662658752.db2.gz JXKGGHAPYYBHLX-HNNXBMFYSA-N 1 0 375.296 2.533 20 0 GFADRO COCCN(CC1CC[NH+](C)CC1)C(=O)c1sccc1Br ZINC000869767952 662660521 /nfs/dbraw/zinc/66/05/21/662660521.db2.gz WTDFZPGLZMRASJ-UHFFFAOYSA-N 1 0 375.332 2.941 20 0 GFADRO O=C(c1ccc2ccc(Br)cc2c1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000870914491 662708081 /nfs/dbraw/zinc/70/80/81/662708081.db2.gz OAUXGJMMDVTSHG-GOSISDBHSA-N 1 0 388.309 2.722 20 0 GFADRO O=C(Cc1coc2c1ccc(Cl)c2Cl)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000870914752 662708118 /nfs/dbraw/zinc/70/81/18/662708118.db2.gz SLBRRTWHRQZHQF-ZDUSSCGKSA-N 1 0 382.291 2.788 20 0 GFADRO CC(C)[NH+]1CCC(CCNC(=O)c2sccc2S(=O)(=O)C(F)F)CC1 ZINC000870958502 662711485 /nfs/dbraw/zinc/71/14/85/662711485.db2.gz UXOPVYLSSMKCCD-UHFFFAOYSA-N 1 0 394.509 2.985 20 0 GFADRO CC(C)n1ncc(-c2nc(C3([NH3+])CCCC3)no2)c1I ZINC000871786988 662733810 /nfs/dbraw/zinc/73/38/10/662733810.db2.gz OLBTZFAKYCIPNE-UHFFFAOYSA-N 1 0 387.225 2.847 20 0 GFADRO Ic1cncc(-c2nc(C3C[C@H]4CC[C@@H](C3)[NH2+]4)no2)c1 ZINC000871797587 662734298 /nfs/dbraw/zinc/73/42/98/662734298.db2.gz UXJGTJGLMIAYJL-FOGGPMGISA-N 1 0 382.205 2.734 20 0 GFADRO O=S(=O)(N[C@]12CCC[C@H]1[NH2+]CC2)c1ccc(C(F)(F)C(F)(F)F)cc1 ZINC000871817959 662735671 /nfs/dbraw/zinc/73/56/71/662735671.db2.gz HVKFPZOXGOBWRF-OLZOCXBDSA-N 1 0 384.370 2.904 20 0 GFADRO O=S1(=O)CC[C@H](C[NH2+][C@@H](c2cccc(Br)c2)[C@H]2CCOC2)C1 ZINC000872019595 662753966 /nfs/dbraw/zinc/75/39/66/662753966.db2.gz XEPYQAMXOGFLON-INWMFGNUSA-N 1 0 388.327 2.551 20 0 GFADRO CC(C)(C)[C@H]1C[C@@H]([NH2+]CC2CCN(S(=O)(=O)C(F)(F)F)CC2)CCO1 ZINC000872033598 662754358 /nfs/dbraw/zinc/75/43/58/662754358.db2.gz CKHBUYKTJDRXLB-UONOGXRCSA-N 1 0 386.480 2.731 20 0 GFADRO COCCN1CC[C@H]([NH2+][C@H](c2cccc(Br)c2)[C@H]2CCOC2)C1 ZINC000872036679 662754472 /nfs/dbraw/zinc/75/44/72/662754472.db2.gz VEAAQSPMNBFUGJ-RYQLBKOJSA-N 1 0 383.330 2.837 20 0 GFADRO CC[C@@H](CCC(F)(F)F)[NH2+]Cc1ccccc1S(=O)(=O)N(C)CCO ZINC000872045611 662754711 /nfs/dbraw/zinc/75/47/11/662754711.db2.gz PUONKAGKCVIFRI-AWEZNQCLSA-N 1 0 382.448 2.510 20 0 GFADRO Cc1cc(Br)ccc1C(=O)N1CCC([NH2+]C[C@H]2C[C@H](O)C2)CC1 ZINC000872126420 662756250 /nfs/dbraw/zinc/75/62/50/662756250.db2.gz NAFPWJPGJLNXMW-SAZUREKKSA-N 1 0 381.314 2.723 20 0 GFADRO COc1cc(Cl)c(C)cc1NC(=O)CN1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000872147175 662756455 /nfs/dbraw/zinc/75/64/55/662756455.db2.gz FHHYQDIUWHLHFG-GHMZBOCLSA-N 1 0 379.810 2.665 20 0 GFADRO [NH3+]C[C@@H]1CN([C@@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)C[C@@H]1C(F)(F)F ZINC000872152874 662757053 /nfs/dbraw/zinc/75/70/53/662757053.db2.gz WPPPZFAJTBYFAC-OLUVUFQESA-N 1 0 379.785 2.653 20 0 GFADRO C[NH+](C)C[C@H](N)c1nc(-c2ccc(Br)cc2OC(F)F)no1 ZINC000872178480 662757414 /nfs/dbraw/zinc/75/74/14/662757414.db2.gz WSXLHXFGTJFBRB-VIFPVBQESA-N 1 0 377.189 2.662 20 0 GFADRO O[C@@H](C[NH2+]C[C@@H]1CCC12CCOCC2)COc1ccc(Br)cc1 ZINC000872228634 662758435 /nfs/dbraw/zinc/75/84/35/662758435.db2.gz IARNWXBDFXWCTM-HOCLYGCPSA-N 1 0 384.314 2.985 20 0 GFADRO [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)Nc2cc(F)c(I)c(F)c2)C1 ZINC000872266019 662759325 /nfs/dbraw/zinc/75/93/25/662759325.db2.gz RXHVFNFVWSWQCT-LEAAEXRXSA-N 1 0 378.160 2.635 20 0 GFADRO COCCN(CC1CC[NH+](C)CC1)Cn1nc(C(F)(F)F)sc1=S ZINC000872633544 662781589 /nfs/dbraw/zinc/78/15/89/662781589.db2.gz LDISUELECJDKMD-UHFFFAOYSA-N 1 0 384.493 2.941 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)C(=O)Nc2cccc(Cl)c2Cl)C[C@@H]1C(F)(F)F ZINC000873103123 662799761 /nfs/dbraw/zinc/79/97/61/662799761.db2.gz CSJKGZMVBSJLEP-YUMQZZPRSA-N 1 0 384.185 2.528 20 0 GFADRO O=C(NCc1ccc(C(F)(F)F)s1)N1CC[NH+](C2CCOCC2)CC1 ZINC000873138760 662801360 /nfs/dbraw/zinc/80/13/60/662801360.db2.gz MLLUYNJLLMFVTA-UHFFFAOYSA-N 1 0 377.432 2.773 20 0 GFADRO Cn1cc(Br)cc(NC(=O)N[C@@H]2CCCCC23CC[NH2+]CC3)c1=O ZINC000873312412 662805141 /nfs/dbraw/zinc/80/51/41/662805141.db2.gz OAUHGIOOLPTESO-CQSZACIVSA-N 1 0 397.317 2.582 20 0 GFADRO CCc1ccc(Br)c(NC(=O)C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000873668640 662811628 /nfs/dbraw/zinc/81/16/28/662811628.db2.gz YFQNMBCVJGVUKT-ZDUSSCGKSA-N 1 0 394.313 2.551 20 0 GFADRO CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2cc(CC)ccc2Br)C1 ZINC000873688147 662811868 /nfs/dbraw/zinc/81/18/68/662811868.db2.gz HBMHWKWOWYVIHN-CQSZACIVSA-N 1 0 396.329 2.798 20 0 GFADRO CCc1ccc(Br)c(NC(=O)C(=O)NC[C@@H]2CC[N@@H+](C(C)C)C2)c1 ZINC000873694926 662811986 /nfs/dbraw/zinc/81/19/86/662811986.db2.gz GDRACEIVRGNEOO-AWEZNQCLSA-N 1 0 396.329 2.797 20 0 GFADRO CCn1ncc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1Br ZINC000873856458 662816385 /nfs/dbraw/zinc/81/63/85/662816385.db2.gz JCDHTHMFHLAETB-CQSZACIVSA-N 1 0 377.286 2.670 20 0 GFADRO COc1cc(C(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3C)cc(Br)c1OC ZINC000874826639 662837427 /nfs/dbraw/zinc/83/74/27/662837427.db2.gz AXWRNSYSKQHQTH-UONOGXRCSA-N 1 0 383.286 2.775 20 0 GFADRO CC(=O)c1cc(Br)ccc1OCC(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2C ZINC000874826553 662837433 /nfs/dbraw/zinc/83/74/33/662837433.db2.gz ABBFBHSZYLVDCG-CVEARBPZSA-N 1 0 395.297 2.726 20 0 GFADRO Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)Oc2ccc(Br)cc2F)cn1 ZINC000875023107 662840947 /nfs/dbraw/zinc/84/09/47/662840947.db2.gz HVXRMSPRIZYUMY-UONOGXRCSA-N 1 0 396.260 2.963 20 0 GFADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)Oc2ccc(F)c(Br)c2)cn1 ZINC000875529225 662847397 /nfs/dbraw/zinc/84/73/97/662847397.db2.gz YBWVULPBHSSEKU-KBPBESRZSA-N 1 0 396.260 2.963 20 0 GFADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@H]2C(=O)Oc2cc(Br)ccc2F)cn1 ZINC000875529940 662847464 /nfs/dbraw/zinc/84/74/64/662847464.db2.gz DHIANZJQMHVHRB-KGLIPLIRSA-N 1 0 396.260 2.963 20 0 GFADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)Nc2cccc(Br)c2F)cn1 ZINC000875828215 662852702 /nfs/dbraw/zinc/85/27/02/662852702.db2.gz RDPJQUJIYAAQPI-STQMWFEESA-N 1 0 395.276 2.996 20 0 GFADRO CCOC(=O)Cc1csc(N(CC[NH+](C)C)C(=O)c2cc(C)cs2)n1 ZINC000876316668 662859649 /nfs/dbraw/zinc/85/96/49/662859649.db2.gz NJWZYYFZJAMEKF-UHFFFAOYSA-N 1 0 381.523 2.827 20 0 GFADRO CCOC(=O)Cc1csc(N(CC[NH+](C)C)C(=O)c2cscc2C)n1 ZINC000876316367 662859656 /nfs/dbraw/zinc/85/96/56/662859656.db2.gz ARHMGOLPADYNQA-UHFFFAOYSA-N 1 0 381.523 2.827 20 0 GFADRO O=C(Nc1ccnn1Cc1ccc(Br)cc1)[C@@H](F)[C@@H]1CC[NH2+]C1 ZINC000876563492 662862842 /nfs/dbraw/zinc/86/28/42/662862842.db2.gz JEOSOINPPRXEGN-DOMZBBRYSA-N 1 0 381.249 2.580 20 0 GFADRO COc1ccc(I)c(NC(=O)/C=C\[C@H]2CCC[NH2+]C2)c1 ZINC000876626503 662863672 /nfs/dbraw/zinc/86/36/72/662863672.db2.gz AVXAKQLPHCFKJS-MEQVVJDKSA-N 1 0 386.233 2.794 20 0 GFADRO Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)Nc1cnc(Br)cc1C ZINC000876666699 662864497 /nfs/dbraw/zinc/86/44/97/662864497.db2.gz MISGYKDRSQIMIW-GFCCVEGCSA-N 1 0 378.274 2.834 20 0 GFADRO O=C(CC[NH2+]CC1CC1)NC[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000876732760 662865466 /nfs/dbraw/zinc/86/54/66/662865466.db2.gz FMFWMRDENHWZAG-HNNXBMFYSA-N 1 0 380.330 2.781 20 0 GFADRO O=C(/C=C/[C@@H]1CCC[NH2+]C1)NC[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000876732612 662865497 /nfs/dbraw/zinc/86/54/97/662865497.db2.gz AWUKTMXOLLQIOS-WOKDRWNGSA-N 1 0 392.341 2.947 20 0 GFADRO O=C(NC[C@H]1C[NH2+]CCCO1)c1cnc(-c2ccccc2Br)s1 ZINC000876869824 662867565 /nfs/dbraw/zinc/86/75/65/662867565.db2.gz INDXWLPGMWEJTJ-LLVKDONJSA-N 1 0 396.310 2.681 20 0 GFADRO COC(=O)c1cc(NC(=O)/C=C\[C@H]2CCC[NH2+]C2)cc(Br)c1F ZINC000876909743 662867871 /nfs/dbraw/zinc/86/78/71/662867871.db2.gz GWJNMOVMHPPTDR-UMCURTJPSA-N 1 0 385.233 2.869 20 0 GFADRO [NH3+][C@H]1CCCO[C@@H]1C1CCN(C(=O)C(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000876919306 662868158 /nfs/dbraw/zinc/86/81/58/662868158.db2.gz SQMIYKJXILULHL-DOTOQJQBSA-N 1 0 385.291 2.921 20 0 GFADRO COC(=O)c1ccc(C[NH2+]CCC(=O)N2CCCCC2)cc1Br ZINC000876942875 662868472 /nfs/dbraw/zinc/86/84/72/662868472.db2.gz HMZLDOVOKANMDM-UHFFFAOYSA-N 1 0 383.286 2.728 20 0 GFADRO CC(C)n1ncc(C(=O)N2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)c1Br ZINC000876944306 662868483 /nfs/dbraw/zinc/86/84/83/662868483.db2.gz KHLFTAQSOXVHQK-KCQAQPDRSA-N 1 0 399.333 2.585 20 0 GFADRO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCN(C(=O)C(=O)c3cc(Cl)cc(Cl)c3)C2)C1 ZINC000876947143 662868488 /nfs/dbraw/zinc/86/84/88/662868488.db2.gz WTNIHTLOKSFHLO-HFBAOOFYSA-N 1 0 385.291 2.921 20 0 GFADRO C[C@H](Cc1cccc(Br)c1)[NH2+]Cc1cccc(S(N)(=O)=O)c1 ZINC000876968963 662868889 /nfs/dbraw/zinc/86/88/89/662868889.db2.gz LIUFQFJIRGWWKU-GFCCVEGCSA-N 1 0 383.311 2.817 20 0 GFADRO COC(=O)c1sc2c(c1Br)CN(C(=O)[C@]13CCC[C@H]1[NH2+]CC3)C2 ZINC000876980807 662869115 /nfs/dbraw/zinc/86/91/15/662869115.db2.gz JAWKOTCTFRBQIZ-BZNIZROVSA-N 1 0 399.310 2.672 20 0 GFADRO [NH3+][C@@H](C(=O)NC[C@H](n1cccn1)C(F)(F)F)c1cccc(Br)c1 ZINC000876990952 662869342 /nfs/dbraw/zinc/86/93/42/662869342.db2.gz FSDOALSATKAAHD-NWDGAFQWSA-N 1 0 391.191 2.565 20 0 GFADRO C[NH2+]CCOCCNC(=O)c1ccsc1NC(=O)c1ccccc1Cl ZINC000877025858 662869777 /nfs/dbraw/zinc/86/97/77/662869777.db2.gz YHIKTADJEOAGDK-UHFFFAOYSA-N 1 0 381.885 2.620 20 0 GFADRO CCCOc1ccc(C[NH2+]CC2CCS(=O)(=O)CC2)c(OC(F)F)c1 ZINC000877086525 662870882 /nfs/dbraw/zinc/87/08/82/662870882.db2.gz ZCUWOGUHCLAKRX-UHFFFAOYSA-N 1 0 377.453 2.991 20 0 GFADRO O=C1[C@H]([NH2+]CC2CCS(=O)(=O)CC2)CCN1c1ccc(Cl)c(Cl)c1 ZINC000877165688 662871929 /nfs/dbraw/zinc/87/19/29/662871929.db2.gz QCEZVEGUBJDVKK-OAHLLOKOSA-N 1 0 391.320 2.513 20 0 GFADRO O=C1[C@@H]([NH2+]CC2CCS(=O)(=O)CC2)CCN1c1ccc(Cl)c(Cl)c1 ZINC000877165687 662871956 /nfs/dbraw/zinc/87/19/56/662871956.db2.gz QCEZVEGUBJDVKK-HNNXBMFYSA-N 1 0 391.320 2.513 20 0 GFADRO [NH3+]CC12CCC(CC1)N2C(=O)[C@H]1CCN(c2cc(Cl)ccc2Cl)C1=O ZINC000877190329 662872073 /nfs/dbraw/zinc/87/20/73/662872073.db2.gz AMDSIBRRSPAHPP-XYEKJYRLSA-N 1 0 382.291 2.829 20 0 GFADRO CCO[C@@H]1C[C@]([NH3+])(C(=O)N[C@@H]2[C@@H]3Cc4ccc(Br)cc4[C@@H]32)C1(C)C ZINC000877262516 662872707 /nfs/dbraw/zinc/87/27/07/662872707.db2.gz QBSURGDUASZLAD-FDQIELQPSA-N 1 0 393.325 2.736 20 0 GFADRO O=C(c1ccc(I)cc1Cl)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000877280045 662872977 /nfs/dbraw/zinc/87/29/77/662872977.db2.gz FRJPTKPWCBGAMU-QWHCGFSZSA-N 1 0 390.652 2.911 20 0 GFADRO O=C(c1ncc(Br)cc1Br)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000877277411 662872979 /nfs/dbraw/zinc/87/29/79/662872979.db2.gz MOJCHOQNXKWGPQ-MNOVXSKESA-N 1 0 389.091 2.573 20 0 GFADRO O=C(c1ccc(-n2cc(Br)cn2)cc1)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000877285572 662873256 /nfs/dbraw/zinc/87/32/56/662873256.db2.gz VKZJIELTHREZBM-HOTGVXAUSA-N 1 0 375.270 2.601 20 0 GFADRO O=C(NC[C@H]1CC2(CO1)CC[NH2+]CC2)c1c(Cl)nc2cc(Cl)ccn21 ZINC000877328674 662873653 /nfs/dbraw/zinc/87/36/53/662873653.db2.gz LRWVQLDYCRBCIH-GFCCVEGCSA-N 1 0 383.279 2.530 20 0 GFADRO O=C(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)c1ccc(Br)c(Cl)c1 ZINC000877330856 662873796 /nfs/dbraw/zinc/87/37/96/662873796.db2.gz HZRBZUZRJOUBQR-LBPRGKRZSA-N 1 0 387.705 2.991 20 0 GFADRO O=C(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)c1ccc(Cl)cc1Br ZINC000877335214 662873818 /nfs/dbraw/zinc/87/38/18/662873818.db2.gz FTMWSOIKKOVQMX-LBPRGKRZSA-N 1 0 387.705 2.991 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)c2cc(F)c(Br)cc2F)C[C@@H]1C(F)(F)F ZINC000877354579 662874095 /nfs/dbraw/zinc/87/40/95/662874095.db2.gz HQFYKFYGMHUHKE-SVRRBLITSA-N 1 0 387.146 2.937 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)c2cc(Br)cc3nc[nH]c32)C[C@H]1C(F)(F)F ZINC000877353879 662874147 /nfs/dbraw/zinc/87/41/47/662874147.db2.gz VPFQYTAIZHETRS-GMSGAONNSA-N 1 0 391.191 2.535 20 0 GFADRO CC(C)([NH2+]CC1CCS(=O)(=O)CC1)[C@@H](O)c1ccc(Br)cc1 ZINC000877361265 662874504 /nfs/dbraw/zinc/87/45/04/662874504.db2.gz QUYXIHOXKKIAAX-HNNXBMFYSA-N 1 0 390.343 2.676 20 0 GFADRO COc1ccc(Br)cc1C(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000877363043 662874613 /nfs/dbraw/zinc/87/46/13/662874613.db2.gz AXFMCXDGLBGLGK-KWQFWETISA-N 1 0 381.192 2.667 20 0 GFADRO COC(=O)CC[C@@H]1CCCN(C(=O)[C@](C)([NH3+])c2ccc(Br)cc2)C1 ZINC000877381936 662875165 /nfs/dbraw/zinc/87/51/65/662875165.db2.gz LLSKSYZFCZVNLL-SCLBCKFNSA-N 1 0 397.313 2.815 20 0 GFADRO CS(=O)(=O)c1cc(C(=O)N2CCC[C@H](C[C@@H]([NH3+])C3CCCC3)C2)cs1 ZINC000877444999 662876138 /nfs/dbraw/zinc/87/61/38/662876138.db2.gz NUZKEDUFBLSGNF-CZUORRHYSA-N 1 0 384.567 2.911 20 0 GFADRO CC(C)(C)OC(=O)NCC(C)(C)C[NH2+]Cc1ccc(S(C)(=O)=O)s1 ZINC000877466193 662876422 /nfs/dbraw/zinc/87/64/22/662876422.db2.gz DQCHUHOHSNMNPH-UHFFFAOYSA-N 1 0 376.544 2.792 20 0 GFADRO CCO[P@](C)(=O)CC[C@@H](C)[NH2+]CCNS(=O)(=O)c1ccc(F)cc1F ZINC000877499698 662877290 /nfs/dbraw/zinc/87/72/90/662877290.db2.gz UACRTPRILWHUGR-YYUOZPCZSA-N 1 0 398.412 2.556 20 0 GFADRO C[C@H](CCNC(=O)OC(C)(C)C)[NH2+]Cc1cnn2cc(Br)cnc12 ZINC000877505476 662877378 /nfs/dbraw/zinc/87/73/78/662877378.db2.gz FIPBOROCXNMCDJ-LLVKDONJSA-N 1 0 398.305 2.885 20 0 GFADRO COC(=O)c1ccc(C[N@@H+]2CC[C@@H](c3nccn3C)C2)cc1Br ZINC000877528519 662878249 /nfs/dbraw/zinc/87/82/49/662878249.db2.gz CWFZSBLPGJUMET-CYBMUJFWSA-N 1 0 378.270 2.959 20 0 GFADRO CCO[P@](C)(=O)CC[C@H](C)[NH2+][C@@H]1CCCC[C@H]1NS(=O)(=O)C1CC1 ZINC000877700566 662882206 /nfs/dbraw/zinc/88/22/06/662882206.db2.gz DFPHDQXMTCHLRV-XGGYBDDLSA-N 1 0 380.491 2.692 20 0 GFADRO O=C1NCCC12CC[NH+](Cc1cnn(-c3ccc(Br)cc3)c1)CC2 ZINC000877783260 662883624 /nfs/dbraw/zinc/88/36/24/662883624.db2.gz LYMOIBGZZMXTJU-UHFFFAOYSA-N 1 0 389.297 2.737 20 0 GFADRO CC[NH+](CC)Cc1ccccc1CNC(=O)Cc1c(Br)cnn1C ZINC000877987765 662887675 /nfs/dbraw/zinc/88/76/75/662887675.db2.gz RHAGPJTWZZKQGI-UHFFFAOYSA-N 1 0 393.329 2.883 20 0 GFADRO COc1cc(C[N@H+](C[C@H](O)c2cc(Br)no2)C2CC2)ccc1O ZINC000878314311 662893741 /nfs/dbraw/zinc/89/37/41/662893741.db2.gz SRLBRDMRSXHDBF-ZDUSSCGKSA-N 1 0 383.242 2.849 20 0 GFADRO COC(=O)CC[N@@H+]1CCN(C[C@H](O)c2ccc(Cl)c(Cl)c2)[C@@H](C)C1 ZINC000878374716 662894729 /nfs/dbraw/zinc/89/47/29/662894729.db2.gz UPVYISKLGPCGDT-LRDDRELGSA-N 1 0 375.296 2.596 20 0 GFADRO CC(C)(C)S(=O)(=O)CCC[NH2+][C@H](CO)c1ccccc1OC(F)(F)F ZINC000878541475 662898657 /nfs/dbraw/zinc/89/86/57/662898657.db2.gz POMCMYTWOUENAK-CYBMUJFWSA-N 1 0 383.432 2.812 20 0 GFADRO C[N@H+](C[C@H](O)C[C@@H](O)c1ccccc1)C[C@H](O)c1cccc(Br)c1 ZINC000878709914 662903377 /nfs/dbraw/zinc/90/33/77/662903377.db2.gz WRAZUTACCIBOJW-QRVBRYPASA-N 1 0 394.309 2.899 20 0 GFADRO Cc1cc(NC(=O)NCc2cc(Br)no2)n(C2CC[NH+](C)CC2)n1 ZINC000878887464 662908532 /nfs/dbraw/zinc/90/85/32/662908532.db2.gz FGMDLHYRCMCGBG-UHFFFAOYSA-N 1 0 397.277 2.530 20 0 GFADRO Cc1nc(Br)ccc1NC(=O)N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000879099193 662916415 /nfs/dbraw/zinc/91/64/15/662916415.db2.gz HWMHEOPMXSSACI-CQSZACIVSA-N 1 0 397.317 2.917 20 0 GFADRO COCCN(CC1CC[NH+](C)CC1)C(=O)Nc1cc(Br)ncc1C ZINC000879278130 662922203 /nfs/dbraw/zinc/92/22/03/662922203.db2.gz ILZVRSQXKQQQKR-UHFFFAOYSA-N 1 0 399.333 2.975 20 0 GFADRO CC1([NH+]2CCC2)CCN(C(=O)Nc2ccc(Cl)c(S(C)(=O)=O)c2)CC1 ZINC000879343589 662923692 /nfs/dbraw/zinc/92/36/92/662923692.db2.gz XIRPENNNQODLHB-UHFFFAOYSA-N 1 0 385.917 2.836 20 0 GFADRO Cc1ccc(NC(=O)N2CCC[C@@H]([NH2+]C3CCOCC3)C2)nc1Br ZINC000879510506 662928059 /nfs/dbraw/zinc/92/80/59/662928059.db2.gz FZYWMPLALLUTSB-CQSZACIVSA-N 1 0 397.317 2.917 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(CCC(=O)Nc3ccc(Br)cc3F)CC[C@H]21 ZINC000879571934 662929821 /nfs/dbraw/zinc/92/98/21/662929821.db2.gz UROCOUPREPKSNT-MLGOLLRUSA-N 1 0 384.293 2.943 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(Cc3noc(Cc4ccc(Br)cc4)n3)CC[C@H]21 ZINC000879573456 662929833 /nfs/dbraw/zinc/92/98/33/662929833.db2.gz OJTBFNQRRUXWSC-GDBMZVCRSA-N 1 0 391.313 2.949 20 0 GFADRO Cn1nc(Br)cc1NC(=O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000879645140 662933682 /nfs/dbraw/zinc/93/36/82/662933682.db2.gz PRBQAWYEWUHBQD-UHFFFAOYSA-N 1 0 392.301 2.922 20 0 GFADRO C[NH+](C)CCn1nccc1NC(=O)NCCc1sccc1Br ZINC000879671271 662935789 /nfs/dbraw/zinc/93/57/89/662935789.db2.gz BSUAPWZRVXOECE-UHFFFAOYSA-N 1 0 386.319 2.633 20 0 GFADRO COCC[N@H+](CC(=O)N[C@H](C)c1ccc(Br)cc1)C1CCOCC1 ZINC000879705414 662937372 /nfs/dbraw/zinc/93/73/72/662937372.db2.gz BGLIKTUHUBFORV-CQSZACIVSA-N 1 0 399.329 2.754 20 0 GFADRO Cn1ncc(Br)c1CC(=O)Nc1cccc2c1OCC[C@H]2[NH+](C)C ZINC000879817619 662939995 /nfs/dbraw/zinc/93/99/95/662939995.db2.gz WONZYYXBTIGDKN-CQSZACIVSA-N 1 0 393.285 2.749 20 0 GFADRO Cn1nc(C(F)(F)F)c(CN2CCC[C@@H]([NH2+]C3CCOCC3)C2)c1Cl ZINC000880203643 662954590 /nfs/dbraw/zinc/95/45/90/662954590.db2.gz LLFCTUUDZIQBOZ-GFCCVEGCSA-N 1 0 380.842 2.825 20 0 GFADRO O[C@H](COc1cc(Cl)cc(Cl)c1)C[NH+]1CCC2(CC1)COCCO2 ZINC000880548771 662962258 /nfs/dbraw/zinc/96/22/58/662962258.db2.gz CAYXTKGGDAUKIQ-HNNXBMFYSA-N 1 0 376.280 2.615 20 0 GFADRO COCC[NH+]1CCC(NC(=O)Nc2cc(C(C)=O)ccc2Br)CC1 ZINC000880805076 662972663 /nfs/dbraw/zinc/97/26/63/662972663.db2.gz CLAIQPYCLLZILK-UHFFFAOYSA-N 1 0 398.301 2.884 20 0 GFADRO CC[C@@H](C)[N@H+](C)CCNC(=O)Nc1cc(Br)cc2c1NC(=O)CO2 ZINC000881269828 662986871 /nfs/dbraw/zinc/98/68/71/662986871.db2.gz KUSIQYNCDJADKG-SNVBAGLBSA-N 1 0 399.289 2.632 20 0 GFADRO Cc1ccc(C(=O)N2CCN(c3cc[nH+]cc3)[C@H](C)C2)c(Br)n1 ZINC000881633351 662998517 /nfs/dbraw/zinc/99/85/17/662998517.db2.gz UZVDHKZGHSNZME-CYBMUJFWSA-N 1 0 375.270 2.898 20 0 GFADRO O=S(=O)(CC[C@@H]1CC1(Cl)Cl)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000882006197 663013298 /nfs/dbraw/zinc/01/32/98/663013298.db2.gz LGZLIPDAJDZKNH-UMVBOHGHSA-N 1 0 381.369 2.849 20 0 GFADRO CC1([NH+]2CCC2)CCN(C(=O)CNC(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000882499273 663029192 /nfs/dbraw/zinc/02/91/92/663029192.db2.gz IWUSQKLNZRBFQN-UHFFFAOYSA-N 1 0 384.307 2.810 20 0 GFADRO CC1([NH+]2CCC2)CCN(C(=O)c2c(Br)nc3n2CCCC3)CC1 ZINC000882508619 663029554 /nfs/dbraw/zinc/02/95/54/663029554.db2.gz IBLQEGRXAIDPRT-UHFFFAOYSA-N 1 0 381.318 2.682 20 0 GFADRO C[NH+](C)Cc1ccc(NS(=O)(=O)N=[S@@](C)(=O)C2CCCCC2)c(F)c1 ZINC000882740563 663039815 /nfs/dbraw/zinc/03/98/15/663039815.db2.gz AYDCAPSDHNKYFG-DEOSSOPVSA-N 1 0 391.534 2.975 20 0 GFADRO Cn1cc([C@@H](O)C[NH2+]Cc2cc(Br)sc2Br)cn1 ZINC000883018709 663046815 /nfs/dbraw/zinc/04/68/15/663046815.db2.gz MSGSAKSHUSCVTO-VIFPVBQESA-N 1 0 395.120 2.830 20 0 GFADRO CC(C)[NH+]1CCC(C(=O)Nc2cc(Br)cc3c2NC(=O)CO3)CC1 ZINC000883027358 663047316 /nfs/dbraw/zinc/04/73/16/663047316.db2.gz ZBLZVJKRQACXQI-UHFFFAOYSA-N 1 0 396.285 2.839 20 0 GFADRO CC[C@@H](CS(=O)(=O)c1ccccc1)[NH2+]Cc1c2c(nn1C)CCSC2 ZINC000883074509 663047873 /nfs/dbraw/zinc/04/78/73/663047873.db2.gz AFDINYCVXDPBQV-AWEZNQCLSA-N 1 0 379.551 2.552 20 0 GFADRO COC[C@@H]([NH2+]Cc1cc(Br)c(OC)c(OC)c1)[C@H]1CCCOC1 ZINC000883201313 663051260 /nfs/dbraw/zinc/05/12/60/663051260.db2.gz COGGRNVGCCYMRL-DZGCQCFKSA-N 1 0 388.302 2.998 20 0 GFADRO COC[C@H]([NH2+]CC(=O)Nc1ccc(Br)cc1C)[C@@H]1CCCOC1 ZINC000883200878 663051319 /nfs/dbraw/zinc/05/13/19/663051319.db2.gz SSXUALBFHIHOLG-CJNGLKHVSA-N 1 0 385.302 2.727 20 0 GFADRO COc1ncc(Br)cc1C[NH2+]C[C@@H]1CCC2(CCOCC2)CO1 ZINC000883253321 663051965 /nfs/dbraw/zinc/05/19/65/663051965.db2.gz ONIIAQPGABUJGG-HNNXBMFYSA-N 1 0 385.302 2.918 20 0 GFADRO O=C(c1ccccc1Cl)N1CCC([NH2+]CC[C@@H]2CCCS2(=O)=O)CC1 ZINC000883297033 663052635 /nfs/dbraw/zinc/05/26/35/663052635.db2.gz DONADMYEQLHQJL-HNNXBMFYSA-N 1 0 384.929 2.502 20 0 GFADRO O[C@@H](C[NH2+]Cc1cnc2ccc(Br)cn12)C(F)(F)C(F)(F)F ZINC000883367843 663054063 /nfs/dbraw/zinc/05/40/63/663054063.db2.gz YUMRAJVZSABIHD-VIFPVBQESA-N 1 0 388.134 2.745 20 0 GFADRO Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[NH2+][C@H]1C[C@H](S(C)(=O)=O)C1 ZINC000883379296 663054409 /nfs/dbraw/zinc/05/44/09/663054409.db2.gz VVFUPTPRQFHASP-QAQDUYKDSA-N 1 0 381.929 2.867 20 0 GFADRO C[NH2+]C[C@H]1CCCCN1S(=O)(=O)c1c(OC)ccc2nc(Cl)ccc21 ZINC000883474242 663055780 /nfs/dbraw/zinc/05/57/80/663055780.db2.gz HGFUERGTVPFCPF-GFCCVEGCSA-N 1 0 383.901 2.659 20 0 GFADRO CSc1ccc(S(=O)(=O)N2CCc3sc(C[NH3+])nc3C2)cc1Cl ZINC000883480395 663055917 /nfs/dbraw/zinc/05/59/17/663055917.db2.gz BDLZHWOKANLCML-UHFFFAOYSA-N 1 0 389.955 2.724 20 0 GFADRO Cc1csc([C@H](NC(=O)N2CCc3sc(C[NH3+])nc3C2)C(F)(F)F)n1 ZINC000883567261 663057253 /nfs/dbraw/zinc/05/72/53/663057253.db2.gz SVNSMNREGZURCA-NSHDSACASA-N 1 0 391.444 2.738 20 0 GFADRO CCC1([NH3+])CCN(C(=O)C(=O)Nc2ccc(Br)cc2Cl)CC1 ZINC000883629494 663058396 /nfs/dbraw/zinc/05/83/96/663058396.db2.gz WUSISKGGNMTJEW-UHFFFAOYSA-N 1 0 388.693 2.771 20 0 GFADRO COCC[C@@H]([NH3+])C(=O)N1CCCC[C@H]1C(=O)Nc1cc(Cl)ccc1Cl ZINC000884082788 663064676 /nfs/dbraw/zinc/06/46/76/663064676.db2.gz UVNYZXKWGJRGTE-HIFRSBDPSA-N 1 0 388.295 2.677 20 0 GFADRO CCOc1cc(Br)c(NC(=O)[C@H]([NH3+])CCOC)cc1OCC ZINC000884100535 663065123 /nfs/dbraw/zinc/06/51/23/663065123.db2.gz XWZGFOVRGFLWTB-LLVKDONJSA-N 1 0 375.263 2.549 20 0 GFADRO [NH3+][C@@H](CC1CC1)C(=O)N1CCC(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000884115508 663065529 /nfs/dbraw/zinc/06/55/29/663065529.db2.gz UKMIVFUTKCKZOO-INIZCTEOSA-N 1 0 394.313 2.754 20 0 GFADRO [NH3+][C@@H](C(=O)N1CCCN(CC(F)(F)F)CC1)c1ccc(Br)cc1 ZINC000884186036 663066695 /nfs/dbraw/zinc/06/66/95/663066695.db2.gz OLBIFYCAHLXPTD-CYBMUJFWSA-N 1 0 394.235 2.546 20 0 GFADRO O=C(COCCc1ccc(Br)cc1)Nc1cnc2c(c1)C[NH2+]CC2 ZINC000884243605 663067576 /nfs/dbraw/zinc/06/75/76/663067576.db2.gz LHOSWEDWQCGXJU-UHFFFAOYSA-N 1 0 390.281 2.688 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H](NC(=O)c2cc(Br)nn2-c2ncccc2Cl)C1 ZINC000884267661 663067763 /nfs/dbraw/zinc/06/77/63/663067763.db2.gz KJHDNTFNSZXOPB-NXEZZACHSA-N 1 0 398.692 2.683 20 0 GFADRO C[NH2+]C[C@H](C)NC(=O)CCc1cc(Br)c(Br)s1 ZINC000884420107 663070538 /nfs/dbraw/zinc/07/05/38/663070538.db2.gz KEMSHQUTWUOFNE-ZETCQYMHSA-N 1 0 384.137 2.930 20 0 GFADRO CC(C)c1ncc2c(n1)CCN(C(=O)[C@@H]([NH3+])c1ccc(Br)cc1)C2 ZINC000884429763 663070588 /nfs/dbraw/zinc/07/05/88/663070588.db2.gz SOOXTVWOMPCOBO-INIZCTEOSA-N 1 0 389.297 2.947 20 0 GFADRO CC1(C)C[NH2+]CC[C@H](NC(=O)C(=O)NCCc2ccc(Cl)c(Cl)c2)C1 ZINC000884964846 663080049 /nfs/dbraw/zinc/08/00/49/663080049.db2.gz SYWLSIAHEWRNEO-ZDUSSCGKSA-N 1 0 386.323 2.547 20 0 GFADRO Cn1ncc(Br)c1CC(=O)O[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000885240474 663086934 /nfs/dbraw/zinc/08/69/34/663086934.db2.gz LXEJAUSOFYMNMF-AWEZNQCLSA-N 1 0 378.270 2.543 20 0 GFADRO C[C@@H]1CN(c2cc[nH+]cc2)CCN1S(=O)(=O)c1c(Cl)ccnc1Cl ZINC000885847318 663099134 /nfs/dbraw/zinc/09/91/34/663099134.db2.gz HFWQJLMOQNIRKQ-LLVKDONJSA-N 1 0 387.292 2.683 20 0 GFADRO O=C(CCOc1ccccc1Br)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000885862568 663099450 /nfs/dbraw/zinc/09/94/50/663099450.db2.gz IESFXJKEZOXABN-HNNXBMFYSA-N 1 0 397.313 2.588 20 0 GFADRO O=C(Cc1cc(F)ccc1Br)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000885876266 663100043 /nfs/dbraw/zinc/10/00/43/663100043.db2.gz OZPFZSZUWULFSG-HNNXBMFYSA-N 1 0 385.277 2.500 20 0 GFADRO Cc1ccc(F)c(C(=O)NC[C@@H]2CC[N@@H+]2C2CCOCC2)c1Br ZINC000885882693 663100419 /nfs/dbraw/zinc/10/04/19/663100419.db2.gz JVJQOGFONQFVLN-ZDUSSCGKSA-N 1 0 385.277 2.880 20 0 GFADRO COc1c(Br)ccc(C)c1C(=O)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000885888941 663100500 /nfs/dbraw/zinc/10/05/00/663100500.db2.gz UFXGKUDABMDFKX-CQSZACIVSA-N 1 0 397.313 2.749 20 0 GFADRO Cc1c(Br)cc(F)cc1C(=O)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000885895833 663100847 /nfs/dbraw/zinc/10/08/47/663100847.db2.gz OFOOAMBOUVGOBX-CQSZACIVSA-N 1 0 385.277 2.880 20 0 GFADRO O=S(=O)(Cc1ccccc1)N1CCC([NH2+]Cc2ccc(Cl)cn2)CC1 ZINC000885992322 663102405 /nfs/dbraw/zinc/10/24/05/663102405.db2.gz FPNQVGNUCYDVCM-UHFFFAOYSA-N 1 0 379.913 2.819 20 0 GFADRO C[C@@H]1CCNC(=O)[C@@H]1[NH2+]Cc1cc(Br)c(Br)s1 ZINC000886105392 663103280 /nfs/dbraw/zinc/10/32/80/663103280.db2.gz YYCWQRGJWJWKTG-HZGVNTEJSA-N 1 0 382.121 2.887 20 0 GFADRO OC[C@H](C[C@@H]1CCCO1)[NH2+]Cc1nc(-c2cccc(Br)c2)c[nH]1 ZINC000886229046 663105263 /nfs/dbraw/zinc/10/52/63/663105263.db2.gz KGQKWHDRXBEHAH-GJZGRUSLSA-N 1 0 380.286 2.859 20 0 GFADRO CCOc1cc(C[NH2+][C@@H](CO)C[C@@H]2CCCO2)cc(Br)c1OC ZINC000886232560 663105479 /nfs/dbraw/zinc/10/54/79/663105479.db2.gz YXUUTFHRJASHED-KGLIPLIRSA-N 1 0 388.302 2.876 20 0 GFADRO O=C(C1C[NH+](C2CCOCC2)C1)N1CCc2cc(F)c(Br)cc2C1 ZINC000886286207 663107134 /nfs/dbraw/zinc/10/71/34/663107134.db2.gz HHKNQPDWFHPCPL-UHFFFAOYSA-N 1 0 397.288 2.584 20 0 GFADRO COc1cc(C[NH2+]C[C@@H]2CC[C@]3(CO[C@@H](C)C3)O2)cc(Br)c1O ZINC000886336612 663108576 /nfs/dbraw/zinc/10/85/76/663108576.db2.gz UHJSJOWNPBQGBM-BNLOLNQZSA-N 1 0 386.286 2.980 20 0 GFADRO C[C@H]([NH2+][C@@H](CO)C[C@@H]1CCCO1)c1ccc(I)cc1 ZINC000886666628 663115322 /nfs/dbraw/zinc/11/53/22/663115322.db2.gz WRWZWPDLCSBUFI-GLQYFDAESA-N 1 0 375.250 2.872 20 0 GFADRO COC[C@H]([NH2+][C@H](C)c1ccc(S(=O)(=O)C(F)F)cc1)[C@@H]1CCCOC1 ZINC000886787576 663118665 /nfs/dbraw/zinc/11/86/65/663118665.db2.gz YGHNMKNWMQFWTJ-XPKDYRNWSA-N 1 0 377.453 2.775 20 0 GFADRO OC[C@@]1(C(F)(F)F)CC[N@H+](C[C@@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000886793587 663118905 /nfs/dbraw/zinc/11/89/05/663118905.db2.gz OWSCNJHHPIDQTM-BXUZGUMPSA-N 1 0 388.213 2.980 20 0 GFADRO Cc1cc(Br)ccc1CS(=O)(=O)N1CCC([C@@H](C)[NH3+])CC1 ZINC000886882411 663123306 /nfs/dbraw/zinc/12/33/06/663123306.db2.gz QAYZSVZSSDQHSG-GFCCVEGCSA-N 1 0 375.332 2.647 20 0 GFADRO COc1cc(Cl)c(S(=O)(=O)NC[C@H]2C[NH2+]CCC2(F)F)cc1Cl ZINC000886896269 663123937 /nfs/dbraw/zinc/12/39/37/663123937.db2.gz DKGZJLCMPLIQAQ-MRVPVSSYSA-N 1 0 389.251 2.525 20 0 GFADRO O=S(=O)(NC[C@@H]1C[NH2+]CCC1(F)F)c1ccc(C(F)(F)F)cc1Cl ZINC000886897777 663124067 /nfs/dbraw/zinc/12/40/67/663124067.db2.gz HYWQFKXMVYEULZ-VIFPVBQESA-N 1 0 392.777 2.882 20 0 GFADRO COC[C@H]([NH2+]C[C@H](O)COc1c(Cl)cccc1Cl)[C@@H]1CCCOC1 ZINC000886906345 663124433 /nfs/dbraw/zinc/12/44/33/663124433.db2.gz VRPXCWARLNJCET-WWGRRREGSA-N 1 0 378.296 2.764 20 0 GFADRO COC[C@H]([NH2+]C[C@H](O)COc1c(Cl)cccc1Cl)[C@H]1CCCOC1 ZINC000886906346 663124475 /nfs/dbraw/zinc/12/44/75/663124475.db2.gz VRPXCWARLNJCET-XEZPLFJOSA-N 1 0 378.296 2.764 20 0 GFADRO COC[C@H]([NH2+][C@@H](C)C(=O)Nc1ccc(Br)cc1)[C@H]1CCCOC1 ZINC000886909553 663124557 /nfs/dbraw/zinc/12/45/57/663124557.db2.gz BHVCTCRVJCYYSD-XEZPLFJOSA-N 1 0 385.302 2.807 20 0 GFADRO COC[C@@H]([NH2+]Cc1ccc(OC)c(OC)c1Br)[C@H]1CCCOC1 ZINC000886908619 663124629 /nfs/dbraw/zinc/12/46/29/663124629.db2.gz WCNMGTHUYQLGIG-UONOGXRCSA-N 1 0 388.302 2.998 20 0 GFADRO COC[C@H]([NH2+][C@@H](C)C(=O)Nc1cccc(Br)c1)[C@H]1CCCOC1 ZINC000886908773 663124660 /nfs/dbraw/zinc/12/46/60/663124660.db2.gz YVZVIVWEGYLMCK-XEZPLFJOSA-N 1 0 385.302 2.807 20 0 GFADRO COc1ccc(NC(=O)NC[C@H]2C[NH2+]CCC2(F)F)c(Br)c1 ZINC000886932645 663125086 /nfs/dbraw/zinc/12/50/86/663125086.db2.gz JCAZSCKXDIKIPW-SECBINFHSA-N 1 0 378.217 2.824 20 0 GFADRO COc1cc(Br)cc(NC(=O)NC[C@@H]2C[NH2+]CCC2(F)F)c1 ZINC000886938101 663125293 /nfs/dbraw/zinc/12/52/93/663125293.db2.gz DZPJZJDVSIFRSO-VIFPVBQESA-N 1 0 378.217 2.824 20 0 GFADRO [NH3+][C@H]1CCCN(Cc2cn([C@H]3CCCc4ccc(Br)cc43)nn2)C1 ZINC000887446499 663146744 /nfs/dbraw/zinc/14/67/44/663146744.db2.gz CYOSJEBEJRXBCS-YJBOKZPZSA-N 1 0 390.329 2.889 20 0 GFADRO CC[C@H](c1ccc(Br)cc1)n1cc(CN2CCC[C@@H]([NH3+])C2)nn1 ZINC000887447345 663147085 /nfs/dbraw/zinc/14/70/85/663147085.db2.gz ZUGPKBAXARLNDE-NVXWUHKLSA-N 1 0 378.318 2.963 20 0 GFADRO C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)Nc1cccc(Br)n1 ZINC000887981522 663172973 /nfs/dbraw/zinc/17/29/73/663172973.db2.gz UFORJSUZMRFOQD-GFCCVEGCSA-N 1 0 376.258 2.982 20 0 GFADRO C[C@@H]1C[N@H+](CCCNC(=O)Nc2nc3ccc(Cl)nc3s2)CCCO1 ZINC000888789336 663216212 /nfs/dbraw/zinc/21/62/12/663216212.db2.gz KPZMUJKXGRFQDR-LLVKDONJSA-N 1 0 383.905 2.967 20 0 GFADRO Cc1ccc(Br)c2cc(C(=O)N3CCN(C)CC[N@@H+](C)CC3)[nH]c21 ZINC000888976102 663227946 /nfs/dbraw/zinc/22/79/46/663227946.db2.gz AQRKFNMKZSGZAS-UHFFFAOYSA-N 1 0 393.329 2.558 20 0 GFADRO CN1CCN(C(=O)c2cccc3cccc(Br)c32)CC[N@H+](C)CC1 ZINC000888983766 663228085 /nfs/dbraw/zinc/22/80/85/663228085.db2.gz OWCWJYLMKNGRQO-UHFFFAOYSA-N 1 0 390.325 2.922 20 0 GFADRO C[NH+](C)CCN(Cc1cccs1)C(=O)c1nn2c(c1Br)CCC2 ZINC000889437828 663245435 /nfs/dbraw/zinc/24/54/35/663245435.db2.gz VQWCUWWOWLGDCV-UHFFFAOYSA-N 1 0 397.342 2.857 20 0 GFADRO O=C(NCc1ncc(Br)cn1)[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000889713929 663257923 /nfs/dbraw/zinc/25/79/23/663257923.db2.gz DIPOFYBWBSRVSG-INIZCTEOSA-N 1 0 389.297 2.735 20 0 GFADRO Cc1cc(C(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)c(C)cc1Br ZINC000889760350 663264237 /nfs/dbraw/zinc/26/42/37/663264237.db2.gz FDRHBDOJSIPOJA-SJORKVTESA-N 1 0 381.314 2.737 20 0 GFADRO O=C(c1ccc(Br)c(Cl)c1)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000889760528 663264462 /nfs/dbraw/zinc/26/44/62/663264462.db2.gz AKHZLIOARHHWAV-GJZGRUSLSA-N 1 0 387.705 2.774 20 0 GFADRO Cc1cc(C)c(Br)c(C(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)c1 ZINC000889760620 663264606 /nfs/dbraw/zinc/26/46/06/663264606.db2.gz HCYLOZBIGHDLDT-HOTGVXAUSA-N 1 0 381.314 2.737 20 0 GFADRO C[NH+]1CCC(NC(=O)C(=O)Nc2cc(Br)ccc2C(C)(C)C)CC1 ZINC000889764295 663264780 /nfs/dbraw/zinc/26/47/80/663264780.db2.gz QIHURNFOMVXUNO-UHFFFAOYSA-N 1 0 396.329 2.896 20 0 GFADRO O=C(c1ccc(Cl)c(Br)c1)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000889764403 663264835 /nfs/dbraw/zinc/26/48/35/663264835.db2.gz RFHCSPQXTBPRNL-CABCVRRESA-N 1 0 387.705 2.774 20 0 GFADRO Cc1nc(-c2cccs2)sc1C(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000889782755 663266271 /nfs/dbraw/zinc/26/62/71/663266271.db2.gz SQSNDMULMRGZAJ-KGLIPLIRSA-N 1 0 377.535 2.851 20 0 GFADRO O=C(c1cc(Br)cn(C2CC2)c1=O)N1CCC([NH2+]C2CCC2)CC1 ZINC000889818027 663270255 /nfs/dbraw/zinc/27/02/55/663270255.db2.gz MLYKERSKSQKXSQ-UHFFFAOYSA-N 1 0 394.313 2.692 20 0 GFADRO O=C(c1cc2c(c(Br)c1)OCO2)N1CCC([NH2+]C2CCC2)CC1 ZINC000889835315 663271058 /nfs/dbraw/zinc/27/10/58/663271058.db2.gz MVPCPNDHXYFRAG-UHFFFAOYSA-N 1 0 381.270 2.925 20 0 GFADRO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1nn2c(c1Br)CCC2 ZINC000889872857 663273454 /nfs/dbraw/zinc/27/34/54/663273454.db2.gz MFBONVLXGWZNCZ-CYBMUJFWSA-N 1 0 391.313 2.842 20 0 GFADRO CC(C)([NH3+])CCNC(=O)NC[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000891425195 663339398 /nfs/dbraw/zinc/33/93/98/663339398.db2.gz HNOWVINFSXGHFY-CYBMUJFWSA-N 1 0 383.334 2.702 20 0 GFADRO CO[C@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000891574428 663344385 /nfs/dbraw/zinc/34/43/85/663344385.db2.gz FXDMKHMOYHXYEF-ZLDLUXBVSA-N 1 0 375.847 2.960 20 0 GFADRO CO[C@H](CNC(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1)c1ccccc1Cl ZINC000891686194 663347576 /nfs/dbraw/zinc/34/75/76/663347576.db2.gz DNBAUWRXNIHWSQ-ZKYQVNSYSA-N 1 0 379.810 2.806 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)NCCOCc2ccc(Cl)cc2)C[C@@H]1C(F)(F)F ZINC000891713167 663348165 /nfs/dbraw/zinc/34/81/65/663348165.db2.gz ZRSSVRPBBORWEH-OCCSQVGLSA-N 1 0 379.810 2.635 20 0 GFADRO COc1cc(Br)ccc1CCCNC(=O)NCc1cc(N)cc[nH+]1 ZINC000891775178 663349965 /nfs/dbraw/zinc/34/99/65/663349965.db2.gz LBOSEENCRZOAHM-UHFFFAOYSA-N 1 0 393.285 2.867 20 0 GFADRO CCOCCCNC(=O)C1CCN(c2cc[nH+]c(C)c2Br)CC1 ZINC000891806064 663351017 /nfs/dbraw/zinc/35/10/17/663351017.db2.gz VXQDWZUFUFQDQC-UHFFFAOYSA-N 1 0 384.318 2.912 20 0 GFADRO Cc1ccc(Br)cc1CNC(=O)N1CCc2sc(C[NH3+])nc2C1 ZINC000891832477 663352109 /nfs/dbraw/zinc/35/21/09/663352109.db2.gz VENYBZBEKGJJEK-UHFFFAOYSA-N 1 0 395.326 2.941 20 0 GFADRO COCCC1(NC(=O)N[C@@H]2C[C@H]2c2ccccc2Br)CC[NH2+]CC1 ZINC000891871014 663353586 /nfs/dbraw/zinc/35/35/86/663353586.db2.gz YKPPVCNYAIKDSS-GOEBONIOSA-N 1 0 396.329 2.763 20 0 GFADRO C[C@H]1C[C@H](NC(=O)N(C)C2(C[NH3+])CCCCC2)c2ccsc2S1(=O)=O ZINC000891910293 663355297 /nfs/dbraw/zinc/35/52/97/663355297.db2.gz QQRIOGDSMUUMBQ-JSGCOSHPSA-N 1 0 385.555 2.658 20 0 GFADRO O=C(NC[C@H]1CCC[NH2+]1)N1CC2(CCOCC2)c2ccc(Br)cc21 ZINC000892004883 663358267 /nfs/dbraw/zinc/35/82/67/663358267.db2.gz JFVVTFYRQBICQL-CQSZACIVSA-N 1 0 394.313 2.779 20 0 GFADRO CC[C@@H]([NH3+])CNC(=O)N1CC2(CCOCC2)c2ccc(Br)cc21 ZINC000892142662 663363367 /nfs/dbraw/zinc/36/33/67/663363367.db2.gz BDFCLCKDKULPOZ-CYBMUJFWSA-N 1 0 382.302 2.764 20 0 GFADRO C[C@H]1CN(Cc2cnc(CC(F)(F)F)s2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000892153311 663363486 /nfs/dbraw/zinc/36/34/86/663363486.db2.gz NXIAHBBSYVJGQW-ZFWWWQNUSA-N 1 0 376.492 2.706 20 0 GFADRO C[NH+]1CCC2(CCN2C(=O)NCCOc2cccc(Br)c2)CC1 ZINC000892226178 663366249 /nfs/dbraw/zinc/36/62/49/663366249.db2.gz FYFQXFYJRAMNMA-UHFFFAOYSA-N 1 0 382.302 2.708 20 0 GFADRO COC[C@@H](NC(=O)NCCC1CC[NH2+]CC1)c1cccc(Br)c1 ZINC000892232783 663366559 /nfs/dbraw/zinc/36/65/59/663366559.db2.gz HVPKQYPFKDWPEE-MRXNPFEDSA-N 1 0 384.318 2.826 20 0 GFADRO CN(C(=O)N[C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21)C1CCC([NH3+])CC1 ZINC000892323514 663369355 /nfs/dbraw/zinc/36/93/55/663369355.db2.gz VIPNHZVTZHMJDG-MVMKFVGDSA-N 1 0 378.314 2.999 20 0 GFADRO [NH3+]C[C@H]1CC[C@H](NC(=O)N[C@@H]2[C@H]3Cc4c(cccc4Br)[C@@H]23)CC1 ZINC000892323792 663369400 /nfs/dbraw/zinc/36/94/00/663369400.db2.gz XGYDHXXCFHSTFX-GDGMELARSA-N 1 0 378.314 2.904 20 0 GFADRO O=C(N[C@H]1[C@@H]2Cc3cc(Br)ccc3[C@@H]21)N1CCC2(C1)CC[NH2+]CC2 ZINC000892428398 663373520 /nfs/dbraw/zinc/37/35/20/663373520.db2.gz YZRFIVLMSRIJQC-IKGGRYGDSA-N 1 0 390.325 2.872 20 0 GFADRO COC[C@H](NC(=O)N[C@H]1CC[C@H](C[NH3+])CC1)c1cccc(Br)c1 ZINC000892431090 663373537 /nfs/dbraw/zinc/37/35/37/663373537.db2.gz TWSJWZQGYGMMLC-RCBQFDQVSA-N 1 0 384.318 2.953 20 0 GFADRO [NH3+]C[C@H]1CC[C@H](NC(=O)N[C@@H]2[C@@H]3Cc4ccc(Br)cc4[C@@H]32)CC1 ZINC000892431283 663373579 /nfs/dbraw/zinc/37/35/79/663373579.db2.gz WGHCRSZJJWCDEH-YZTAHQKSSA-N 1 0 378.314 2.904 20 0 GFADRO CN(C[C@H](O)c1ccccc1Br)C(=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000892482494 663374900 /nfs/dbraw/zinc/37/49/00/663374900.db2.gz XLFNESZZHAWOIG-BBRMVZONSA-N 1 0 398.345 2.902 20 0 GFADRO COc1cc(C[NH2+]Cc2cnc(CC(F)(F)F)s2)ccc1OCCO ZINC000892640599 663379546 /nfs/dbraw/zinc/37/95/46/663379546.db2.gz LHXBAKYYBBLTRG-UHFFFAOYSA-N 1 0 376.400 2.917 20 0 GFADRO Cc1ccc(CNC(=O)NC[C@H]2C[NH2+]CCC2(F)F)cc1Br ZINC000892695749 663381998 /nfs/dbraw/zinc/38/19/98/663381998.db2.gz UGIBIAJOHCBUJK-GFCCVEGCSA-N 1 0 376.245 2.802 20 0 GFADRO CC(=O)N1CCN(c2ccccc2C[NH2+]C[C@@H]2C[C@]2(C)Br)CC1 ZINC000892797569 663385057 /nfs/dbraw/zinc/38/50/57/663385057.db2.gz UKSUBRINWVMFNM-WMZOPIPTSA-N 1 0 380.330 2.618 20 0 GFADRO COc1cc(C(=O)N[C@]2(C)C[NH+]3CCC2CC3)cc(OC)c1Br ZINC000892797653 663385128 /nfs/dbraw/zinc/38/51/28/663385128.db2.gz QRQDQQIKCHDAPA-QGZVFWFLSA-N 1 0 383.286 2.680 20 0 GFADRO Cn1ncc(Br)c1CC(=O)OC[C@@H]1CCC[N@@H+]1Cc1ccco1 ZINC000892877589 663387977 /nfs/dbraw/zinc/38/79/77/663387977.db2.gz UENHHVBMSVWVKJ-LBPRGKRZSA-N 1 0 382.258 2.526 20 0 GFADRO CCN(CC)S(=O)(=O)c1ccc(CC[NH2+]Cc2cnc(F)cc2C)s1 ZINC000892902182 663388879 /nfs/dbraw/zinc/38/88/79/663388879.db2.gz GMYUPHYMOKXWCQ-UHFFFAOYSA-N 1 0 385.530 2.953 20 0 GFADRO CCC1([NH3+])CCN(C(=O)NC[C@@H](O)COc2cccc(Cl)c2Cl)CC1 ZINC000892919767 663389644 /nfs/dbraw/zinc/38/96/44/663389644.db2.gz TYXSJLGMFCUYGZ-GFCCVEGCSA-N 1 0 390.311 2.646 20 0 GFADRO CCC1([NH3+])CCN(C(=O)NC[C@@H](CO)Cc2cccc(Br)c2)CC1 ZINC000892933642 663390264 /nfs/dbraw/zinc/39/02/64/663390264.db2.gz ZTCOREWUFKNWDZ-HNNXBMFYSA-N 1 0 398.345 2.513 20 0 GFADRO Cc1c(Br)cc(C(=O)N2[C@H](C)CCC[C@H]2CC[NH+](C)C)c(=O)n1C ZINC000893015656 663393031 /nfs/dbraw/zinc/39/30/31/663393031.db2.gz SQXWYLDHTSFXHK-OCCSQVGLSA-N 1 0 398.345 2.791 20 0 GFADRO C[C@H]1CCC[C@H](CC[NH+](C)C)N1C(=O)c1nccn2c(Br)cnc12 ZINC000893013676 663393188 /nfs/dbraw/zinc/39/31/88/663393188.db2.gz LMSOONHETWKLMU-QWHCGFSZSA-N 1 0 394.317 2.827 20 0 GFADRO CN(CC[NH2+]Cc1cnc(CC(F)(F)F)s1)S(=O)(=O)c1cccs1 ZINC000893203276 663401367 /nfs/dbraw/zinc/40/13/67/663401367.db2.gz WZNMGLQQYPFLLV-UHFFFAOYSA-N 1 0 399.485 2.720 20 0 GFADRO C[C@H](Cc1cc(Br)ccc1F)[NH2+][C@H](C)[C@H]1CCS(=O)(=O)C1 ZINC000893214950 663402223 /nfs/dbraw/zinc/40/22/23/663402223.db2.gz BIKJFMNKROGSCO-UTUOFQBUSA-N 1 0 378.307 2.932 20 0 GFADRO Cc1ncc(I)c(N2CCCC3(CC[NH+](C)CC3)C2)n1 ZINC000893668945 663419575 /nfs/dbraw/zinc/41/95/75/663419575.db2.gz SGCYDIKTAIIZBA-UHFFFAOYSA-N 1 0 386.281 2.702 20 0 GFADRO CC(C)[NH2+][C@H]1CCCN(C(=O)C[C@H]2C(=O)Nc3c2cccc3Br)C1 ZINC000893801430 663425369 /nfs/dbraw/zinc/42/53/69/663425369.db2.gz SUOVTVSCSGTAEV-GXTWGEPZSA-N 1 0 394.313 2.864 20 0 GFADRO OCC1([NH2+]CC2CC2)CCN(c2nc3cc(Br)ccc3o2)CC1 ZINC000894134294 663444542 /nfs/dbraw/zinc/44/45/42/663444542.db2.gz ONIRTHPELOMPIB-UHFFFAOYSA-N 1 0 380.286 2.921 20 0 GFADRO Clc1nc(N2CCOCC2)sc1C[NH2+][C@@H]1CCO[C@]2(CCSC2)C1 ZINC000894344447 663456020 /nfs/dbraw/zinc/45/60/20/663456020.db2.gz RMOJBHYOGWSGEU-MLGOLLRUSA-N 1 0 389.974 2.777 20 0 GFADRO CCc1nnc(NC(=O)[C@@H](C)[C@@H](C)[NH2+]Cc2ccsc2C(=O)OC)s1 ZINC000894440519 663461889 /nfs/dbraw/zinc/46/18/89/663461889.db2.gz YXSHLYOFVIFMRJ-VHSXEESVSA-N 1 0 382.511 2.702 20 0 GFADRO C[C@@]1(Br)C[C@@H]1C[N@H+](CCCN1CCOCC1)Cc1ccncc1 ZINC000894448798 663462038 /nfs/dbraw/zinc/46/20/38/663462038.db2.gz PSSYIDYAJLQBKJ-QZTJIDSGSA-N 1 0 382.346 2.779 20 0 GFADRO C[C@@H]([NH2+]CCC(=O)Nc1cc(Cl)cc(Cl)c1)[C@H]1CCS(=O)(=O)C1 ZINC000894639917 663474138 /nfs/dbraw/zinc/47/41/38/663474138.db2.gz VCYJNSHMHNSRSG-MNOVXSKESA-N 1 0 379.309 2.735 20 0 GFADRO Cn1nc(Br)nc1C[NH2+]CC(C)(C)Oc1cc(F)cc(F)c1 ZINC000894739237 663478415 /nfs/dbraw/zinc/47/84/15/663478415.db2.gz KNCWQHJCYDEPLF-UHFFFAOYSA-N 1 0 375.217 2.803 20 0 GFADRO CNC(=O)CC[C@@H]1CCCC[N@@H+]1Cc1sc(N2CCOCC2)nc1Cl ZINC000894754488 663479641 /nfs/dbraw/zinc/47/96/41/663479641.db2.gz DGCIOBZSHVDSLP-ZDUSSCGKSA-N 1 0 386.949 2.514 20 0 GFADRO Cn1ncc(I)c1C[NH2+]CCc1nc2ccccc2s1 ZINC000894760691 663480179 /nfs/dbraw/zinc/48/01/79/663480179.db2.gz JDNGVTOGWUJNGA-UHFFFAOYSA-N 1 0 398.273 2.967 20 0 GFADRO CC(C)(C)OC(=O)N1CCCO[C@H](C[NH2+]C[C@@H]2C[C@@]2(C)Br)C1 ZINC000894769458 663480672 /nfs/dbraw/zinc/48/06/72/663480672.db2.gz MRDQTJRSOKLYLM-WOSRLPQWSA-N 1 0 377.323 2.776 20 0 GFADRO CCOC(=O)c1ncc(Br)c(N2CCC3(CC2)CC[NH+](C)CC3)n1 ZINC000894925777 663488607 /nfs/dbraw/zinc/48/86/07/663488607.db2.gz NDQBKKNMCUQMRE-UHFFFAOYSA-N 1 0 397.317 2.728 20 0 GFADRO CC(=O)N1CSC[C@@H]1C(=O)Nc1ccc(C[NH+](C)C)c(C(F)(F)F)c1 ZINC000894983523 663493380 /nfs/dbraw/zinc/49/33/80/663493380.db2.gz SUHIWKMOUCLFMO-CQSZACIVSA-N 1 0 375.416 2.627 20 0 GFADRO C[C@@H](c1ccccc1)[C@H](O)C[NH2+]Cc1sc(N2CCOCC2)nc1Cl ZINC000895340404 663509133 /nfs/dbraw/zinc/50/91/33/663509133.db2.gz RCFXXQCMCITQFG-DZGCQCFKSA-N 1 0 381.929 2.887 20 0 GFADRO Clc1cc(Cl)cc(CC[NH2+][C@@H]2CCN(c3ccc4nncn4n3)C2)c1 ZINC000895586815 663519908 /nfs/dbraw/zinc/51/99/08/663519908.db2.gz XLASUNWZLKNXQS-OAHLLOKOSA-N 1 0 377.279 2.842 20 0 GFADRO CC[NH+](CC)Cc1cccc(CNC(=O)c2cn(C)nc2Br)c1 ZINC000895770395 663527317 /nfs/dbraw/zinc/52/73/17/663527317.db2.gz VXAZKXNMVSQFHU-UHFFFAOYSA-N 1 0 379.302 2.954 20 0 GFADRO F[C@@H]1CC2(CC[C@@H]1[NH2+][C@@H]1COc3cccc(Br)c3C1)OCCO2 ZINC000895855034 663530573 /nfs/dbraw/zinc/53/05/73/663530573.db2.gz JAZMJICRESPQIT-GLQYFDAESA-N 1 0 386.261 2.976 20 0 GFADRO CC(C)(CNC(=O)OC(C)(C)C)C[NH2+]CC1CCC(S(C)(=O)=O)CC1 ZINC000896254106 663547037 /nfs/dbraw/zinc/54/70/37/663547037.db2.gz NUQGDLCIHKWDIM-UHFFFAOYSA-N 1 0 376.563 2.730 20 0 GFADRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)c2cn(C)nc2Br)C1 ZINC000896351434 663552523 /nfs/dbraw/zinc/55/25/23/663552523.db2.gz MLYANFPWCPDXSJ-KBPBESRZSA-N 1 0 383.334 2.909 20 0 GFADRO Cc1c2cc(C(=O)N[C@H](C)[C@H]3C[N@H+](C)CCN3C)[nH]c2ccc1Br ZINC000896532384 663561697 /nfs/dbraw/zinc/56/16/97/663561697.db2.gz KJUFADCMVHBSKA-SJKOYZFVSA-N 1 0 393.329 2.603 20 0 GFADRO Cc1cc2cc(C(=O)N[C@H](C)[C@H]3C[N@H+](C)CCN3C)oc2c(Br)c1 ZINC000896551076 663562901 /nfs/dbraw/zinc/56/29/01/663562901.db2.gz WHTJTDJRGZXNBP-IUODEOHRSA-N 1 0 394.313 2.868 20 0 GFADRO C[C@@H](NC(=O)c1ccc(C2SCCCS2)cc1)[C@H]1C[N@H+](C)CCN1C ZINC000896582820 663566317 /nfs/dbraw/zinc/56/63/17/663566317.db2.gz VMWVXCPGISNPHB-RHSMWYFYSA-N 1 0 379.595 2.919 20 0 GFADRO CC(C)(C[NH+]1CCC2(CC1)C[C@H](O)CNC2=O)c1ccc(Br)cc1 ZINC000897047436 663588392 /nfs/dbraw/zinc/58/83/92/663588392.db2.gz VHMVMRYVKLZZPN-INIZCTEOSA-N 1 0 395.341 2.690 20 0 GFADRO C[C@H]1CCC[N@@H+]1CCNC(=O)N(C)C[C@H](O)c1cccc(Br)c1 ZINC000897509714 663608188 /nfs/dbraw/zinc/60/81/88/663608188.db2.gz ADABBZBMIPWGRC-BBRMVZONSA-N 1 0 384.318 2.608 20 0 GFADRO C[N@@H+]1CCCC[C@H](CNC(=O)NC2(c3ncc(Br)cn3)CCC2)C1 ZINC000897567983 663611610 /nfs/dbraw/zinc/61/16/10/663611610.db2.gz OEYODQSKCQTPHL-CYBMUJFWSA-N 1 0 396.333 2.649 20 0 GFADRO CCc1[nH]nc(Cl)c1C[NH+]1CCC(c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000897571892 663611840 /nfs/dbraw/zinc/61/18/40/663611840.db2.gz AHZXXFIHDPNASD-UHFFFAOYSA-N 1 0 382.917 2.653 20 0 GFADRO C[C@@H]1C[N@H+](Cc2cnc(-c3ccc(Cl)cc3)s2)C[C@H]1CS(N)(=O)=O ZINC000897607786 663613406 /nfs/dbraw/zinc/61/34/06/663613406.db2.gz QBOWBRKSJHYZGD-YPMHNXCESA-N 1 0 385.942 2.820 20 0 GFADRO Cn1cc(C(=O)N[C@@H](C[NH+](C)C)c2ccc(Cl)cc2)c(Br)n1 ZINC000897691242 663615826 /nfs/dbraw/zinc/61/58/26/663615826.db2.gz IVEYOBNZKBUYBL-ZDUSSCGKSA-N 1 0 385.693 2.869 20 0 GFADRO C[C@@H](CCc1cccnc1)[NH2+][C@@H]1Cc2cc(Br)cnc2NC1=O ZINC000897978518 663628366 /nfs/dbraw/zinc/62/83/66/663628366.db2.gz QUCHAEQKLBTLEA-XHDPSFHLSA-N 1 0 375.270 2.713 20 0 GFADRO C[C@@H](Oc1ccc(F)cc1Br)C(=O)N1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000898161175 663636722 /nfs/dbraw/zinc/63/67/22/663636722.db2.gz LVKAYKSJZKSCFU-FRRDWIJNSA-N 1 0 385.277 2.766 20 0 GFADRO C[C@](CO)([NH2+][C@@H]1CCC2(C[C@@H]1F)OCCO2)c1cccc(Br)c1 ZINC000898168948 663637039 /nfs/dbraw/zinc/63/70/39/663637039.db2.gz VFCZRZSHTDEJSJ-ARFHVFGLSA-N 1 0 388.277 2.880 20 0 GFADRO O=c1[nH]ncc(N2CC[C@@H]([NH2+]Cc3cccc(O)c3Br)C2)c1Cl ZINC000898367574 663644882 /nfs/dbraw/zinc/64/48/82/663644882.db2.gz FMDRZLVHWULGQT-SNVBAGLBSA-N 1 0 399.676 2.672 20 0 GFADRO OC[C@@H]([NH2+][C@@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21)c1ccccc1I ZINC000898511175 663653177 /nfs/dbraw/zinc/65/31/77/663653177.db2.gz ACXIWHYFBNRANJ-MCKIZEOXSA-N 1 0 399.272 2.728 20 0 GFADRO CO[C@@H]1CCC[C@@H]([NH2+][C@@H](CO)c2ccccc2I)C1 ZINC000898511262 663653230 /nfs/dbraw/zinc/65/32/30/663653230.db2.gz BHZFMFAFIPTSDD-JMSVASOKSA-N 1 0 375.250 2.872 20 0 GFADRO C[C@H]1CC2(CC([NH2+][C@@H](CO)c3ccccc3I)C2)CO1 ZINC000898511551 663653686 /nfs/dbraw/zinc/65/36/86/663653686.db2.gz DUAKZSVWWMRBII-UUGHVDCASA-N 1 0 387.261 2.872 20 0 GFADRO CC(C)[NH+]1CCC(N[C@@H](CO)c2ccccc2I)CC1 ZINC000898513079 663654224 /nfs/dbraw/zinc/65/42/24/663654224.db2.gz QAJOJOIJCXZPAH-INIZCTEOSA-N 1 0 388.293 2.787 20 0 GFADRO O=C(c1nn(-c2ccc(F)cc2)cc1Br)N1CC([NH+]2CCCC2)C1 ZINC000898608934 663657730 /nfs/dbraw/zinc/65/77/30/663657730.db2.gz MCRHFNXIDNVDGL-UHFFFAOYSA-N 1 0 393.260 2.694 20 0 GFADRO O=C(c1cnn(-c2cccc(Br)c2)c1)N1CC([NH+]2CCCC2)C1 ZINC000898609973 663657893 /nfs/dbraw/zinc/65/78/93/663657893.db2.gz HYTBBKZFADEOGB-UHFFFAOYSA-N 1 0 375.270 2.555 20 0 GFADRO Brc1cnc2n1C[C@@H]([NH2+]Cc1ccc(N3CCCC3)nc1)CC2 ZINC000898723243 663660813 /nfs/dbraw/zinc/66/08/13/663660813.db2.gz CUOHHUREOOOSFD-AWEZNQCLSA-N 1 0 376.302 2.745 20 0 GFADRO COCCOc1ccccc1C[NH2+][C@H]1CCc2ncc(Br)n2C1 ZINC000898723480 663660820 /nfs/dbraw/zinc/66/08/20/663660820.db2.gz FJKOFWFBCMQVMK-AWEZNQCLSA-N 1 0 380.286 2.775 20 0 GFADRO O=C(C1C[NH+](C2CCOCC2)C1)N1CC(Cc2ccccc2Br)C1 ZINC000899147315 663677657 /nfs/dbraw/zinc/67/76/57/663677657.db2.gz CZEILZDCBFJZSR-UHFFFAOYSA-N 1 0 393.325 2.561 20 0 GFADRO O=C1Nc2c(cccc2Br)[C@H]1Cc1nc(CC2CC[NH2+]CC2)no1 ZINC000900017750 663706489 /nfs/dbraw/zinc/70/64/89/663706489.db2.gz SIFZKGWFJAWCSL-GFCCVEGCSA-N 1 0 391.269 2.653 20 0 GFADRO Cn1c(-c2nc(CC3CC[NH2+]CC3)no2)cc2cc(Br)cnc21 ZINC000900017926 663706616 /nfs/dbraw/zinc/70/66/16/663706616.db2.gz ZXRWXSGILWOMKC-UHFFFAOYSA-N 1 0 376.258 2.928 20 0 GFADRO CCN(Cc1cccc(Br)c1)C(=O)c1ccnn1CC[NH+](C)C ZINC000900130673 663708803 /nfs/dbraw/zinc/70/88/03/663708803.db2.gz VBZNBCLUFZJPGZ-UHFFFAOYSA-N 1 0 379.302 2.870 20 0 GFADRO CC(C)[NH+]1CCN(CCCC(=O)NCc2csc(Br)c2)CC1 ZINC000900194801 663709455 /nfs/dbraw/zinc/70/94/55/663709455.db2.gz JXFASCMSVKNHGL-UHFFFAOYSA-N 1 0 388.375 2.933 20 0 GFADRO CC(C)[NH+]1CCN(CCC(=O)NCc2ccc(F)cc2Br)CC1 ZINC000900337548 663712743 /nfs/dbraw/zinc/71/27/43/663712743.db2.gz JHHFNNFKDGJROF-UHFFFAOYSA-N 1 0 386.309 2.621 20 0 GFADRO O=C(N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1nc(Br)cs1 ZINC000900483035 663715366 /nfs/dbraw/zinc/71/53/66/663715366.db2.gz BXCPVGMUTTUWBX-BDJLRTHQSA-N 1 0 394.294 2.891 20 0 GFADRO C[C@@H](NC(=O)c1c(Cl)cc(F)cc1Br)[C@@H]1C[N@H+](C)CCN1C ZINC000900811941 663722103 /nfs/dbraw/zinc/72/21/03/663722103.db2.gz PVOQJZQAIAWVQM-RNCFNFMXSA-N 1 0 392.700 2.606 20 0 GFADRO C[N@@H+]1C[C@@H](O)C[C@]1(C)C(=O)NCc1ccc(Br)cc1C(F)(F)F ZINC000901264784 663733097 /nfs/dbraw/zinc/73/30/97/663733097.db2.gz BKJCLGBYKBEIFV-SMDDNHRTSA-N 1 0 395.219 2.539 20 0 GFADRO CCc1noc([C@@H]2CC[C@@H]([NH2+][C@H](C(N)=O)c3cccc(Br)c3)C2)n1 ZINC000901618327 663739671 /nfs/dbraw/zinc/73/96/71/663739671.db2.gz GLRCYLUGQMMZFZ-KYOSRNDESA-N 1 0 393.285 2.847 20 0 GFADRO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@@H]1N2C(=O)c1ncc(Br)cn1 ZINC000901770347 663745476 /nfs/dbraw/zinc/74/54/76/663745476.db2.gz UBEGHSURFFSNRM-ZBFHGGJFSA-N 1 0 387.281 2.996 20 0 GFADRO O=C([O-])C[NH+]1CCC([NH2+]CCc2cc(Cl)ccc2Br)CC1 ZINC000902409841 663760924 /nfs/dbraw/zinc/76/09/24/663760924.db2.gz INOMGWBXNZVOBW-UHFFFAOYSA-N 1 0 375.694 2.784 20 0 GFADRO Cc1cc(Br)ccc1C(=O)N1CCC(N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)CC1 ZINC000902467058 663761684 /nfs/dbraw/zinc/76/16/84/663761684.db2.gz KUEYVSAUGUHHSD-CGTJXYLNSA-N 1 0 392.341 2.845 20 0 GFADRO C[C@H]([NH2+][C@H]1CCN(CCN2CCOCC2)C1)c1ccc(C(F)(F)F)s1 ZINC000902806337 663767808 /nfs/dbraw/zinc/76/78/08/663767808.db2.gz KGELSEZVPTXYRR-KBPBESRZSA-N 1 0 377.476 2.824 20 0 GFADRO CC[NH+]1CCC(NC(=O)COc2cnc3cccc(Br)c3c2)CC1 ZINC000902863510 663768747 /nfs/dbraw/zinc/76/87/47/663768747.db2.gz KFLBJTZAJRBOSB-UHFFFAOYSA-N 1 0 392.297 2.977 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)c1nnc(-c2ccns2)o1)c1ccc(Cl)cc1 ZINC000902888045 663769232 /nfs/dbraw/zinc/76/92/32/663769232.db2.gz PDNZCWFDTDZXFI-GFCCVEGCSA-N 1 0 377.857 2.879 20 0 GFADRO C[NH+]1CCC(OCC(=O)N2CCCc3cc(Br)cc(F)c32)CC1 ZINC000903050601 663772094 /nfs/dbraw/zinc/77/20/94/663772094.db2.gz JTUQOMPYMJOHGV-UHFFFAOYSA-N 1 0 385.277 2.978 20 0 GFADRO Cc1cc(NS(=O)(=O)C[C@@]2(C)CC2(Cl)Cl)n(C2CC[NH+](C)CC2)n1 ZINC000903095403 663773308 /nfs/dbraw/zinc/77/33/08/663773308.db2.gz WFHLAMITECJLJM-CQSZACIVSA-N 1 0 395.356 2.784 20 0 GFADRO C[NH+](C)CCOc1ccc(NS(=O)(=O)C[C@@]2(C)CC2(Cl)Cl)cc1 ZINC000903122944 663774715 /nfs/dbraw/zinc/77/47/15/663774715.db2.gz HAEIFHCNUJTMNK-CQSZACIVSA-N 1 0 381.325 2.953 20 0 GFADRO CCO[C@@H]1COCC[C@@H]1[NH2+][C@@H](C)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000903152697 663776129 /nfs/dbraw/zinc/77/61/29/663776129.db2.gz PMNYSVFUNNOQMY-TUKIKUTGSA-N 1 0 381.416 2.825 20 0 GFADRO CCOC(=O)C(F)(F)[C@@H]1CC[C@H]([NH2+]Cc2cn(C)nc2Br)C1 ZINC000903187817 663777480 /nfs/dbraw/zinc/77/74/80/663777480.db2.gz HVKXWQRAERNGSA-MNOVXSKESA-N 1 0 380.233 2.639 20 0 GFADRO CN(CCC[N@H+](C)Cc1ccncc1)S(=O)(=O)C[C@@]1(C)CC1(Cl)Cl ZINC000903197650 663778239 /nfs/dbraw/zinc/77/82/39/663778239.db2.gz RXTGACSVXWJJDN-OAHLLOKOSA-N 1 0 394.368 2.749 20 0 GFADRO C[C@H]([NH2+][C@@H](CO)C[C@@H]1CCCO1)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000903218899 663778786 /nfs/dbraw/zinc/77/87/86/663778786.db2.gz DXWYJEFYXDZNNN-YUTCNCBUSA-N 1 0 381.416 2.561 20 0 GFADRO C[C@H]([NH2+]CCS(=O)(=O)N=S(C)(C)=O)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000903227103 663779294 /nfs/dbraw/zinc/77/92/94/663779294.db2.gz QJIPLPVPSGZQRL-GARJFASQSA-N 1 0 384.976 2.541 20 0 GFADRO C[C@H]([NH2+]C[C@H]1CCCC[C@H]1NS(C)(=O)=O)c1cccc(Br)n1 ZINC000903234888 663780164 /nfs/dbraw/zinc/78/01/64/663780164.db2.gz QVSRPVKPAYJMDV-OUCADQQQSA-N 1 0 390.347 2.603 20 0 GFADRO CO[C@]1(C[NH2+][C@@H]2C[C@H](C)c3c2cccc3Br)CCS(=O)(=O)C1 ZINC000903367000 663783026 /nfs/dbraw/zinc/78/30/26/663783026.db2.gz GFTNRPQAMQVNNH-PEYYIBSZSA-N 1 0 388.327 2.791 20 0 GFADRO C[C@@H]([NH2+][C@H]1CCOC12CCOCC2)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000903386328 663783540 /nfs/dbraw/zinc/78/35/40/663783540.db2.gz AWZYIETYTJXUFX-DOMZBBRYSA-N 1 0 375.437 2.672 20 0 GFADRO COc1ccc([C@H](C)[NH2+][C@H]2CCN(c3cc(=O)[nH]cn3)C2)cc1Br ZINC000903398087 663783691 /nfs/dbraw/zinc/78/36/91/663783691.db2.gz QSSGZCKRNRYRKJ-AAEUAGOBSA-N 1 0 393.285 2.883 20 0 GFADRO Cc1cc(Br)ccc1C(=O)N1CCC([NH2+][C@H]2COC[C@@H]2C)CC1 ZINC000903396501 663783773 /nfs/dbraw/zinc/78/37/73/663783773.db2.gz RFJXMPJUSRVJPE-GUYCJALGSA-N 1 0 381.314 2.987 20 0 GFADRO O=c1ccn(CCC[NH2+][C@@H]2CCCc3ccc(Br)cc32)c(=O)[nH]1 ZINC000903432008 663784578 /nfs/dbraw/zinc/78/45/78/663784578.db2.gz FFUKCAXDBONIOX-OAHLLOKOSA-N 1 0 378.270 2.769 20 0 GFADRO COC(=O)C1CC2(C1)C[C@@H]([NH2+][C@@H](C)c1ccc(Cl)s1)CCS2(=O)=O ZINC000903451870 663784986 /nfs/dbraw/zinc/78/49/86/663784986.db2.gz IRZOUYIURIQDQB-IRDPIATMSA-N 1 0 391.942 2.951 20 0 GFADRO CCOC(=O)NC1CCC([NH2+][C@H]2CCc3ncc(Br)n3C2)CC1 ZINC000903477541 663785244 /nfs/dbraw/zinc/78/52/44/663785244.db2.gz AOMBAEISJGUQID-BPCQOVAHSA-N 1 0 385.306 2.607 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCc2ncc(Br)n2C1)c1cccc(-n2cnnc2)c1 ZINC000903479998 663785372 /nfs/dbraw/zinc/78/53/72/663785372.db2.gz NEJCKQWGSDEUFJ-GXTWGEPZSA-N 1 0 387.285 2.892 20 0 GFADRO [NH3+][C@@H]1CN(CC(=O)Nc2ccc(OC(F)F)c(Cl)c2)C[C@H]1C(F)(F)F ZINC000903518896 663786852 /nfs/dbraw/zinc/78/68/52/663786852.db2.gz PETHZAITDIUYLV-PSASIEDQSA-N 1 0 387.736 2.701 20 0 GFADRO CC(C)(C[NH3+])C1CCN(S(=O)(=O)c2cc(F)ccc2Br)CC1 ZINC000903521182 663786985 /nfs/dbraw/zinc/78/69/85/663786985.db2.gz KTNOVVYVDSGOSK-UHFFFAOYSA-N 1 0 393.322 2.974 20 0 GFADRO [NH3+]CCC1CCN(S(=O)(=O)Cc2cccc(Cl)c2Br)CC1 ZINC000903522381 663787108 /nfs/dbraw/zinc/78/71/08/663787108.db2.gz OAZJPZVDWFCKHA-UHFFFAOYSA-N 1 0 395.750 2.993 20 0 GFADRO O=S(=O)(Cc1cccc(F)c1Br)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000903525293 663787269 /nfs/dbraw/zinc/78/72/69/663787269.db2.gz RTMBQXGEZWSSSU-GFCCVEGCSA-N 1 0 391.306 2.682 20 0 GFADRO Cc1cc(S(=O)(=O)N2CCC(C[NH3+])(c3ccccc3)CC2)cnc1Cl ZINC000903532497 663787501 /nfs/dbraw/zinc/78/75/01/663787501.db2.gz IDXWQYCJTNCXAR-UHFFFAOYSA-N 1 0 379.913 2.725 20 0 GFADRO [NH3+][C@@H]1CN(S(=O)(=O)Cc2cc(Cl)cc(Cl)c2)C[C@H]1C(F)(F)F ZINC000903570387 663789063 /nfs/dbraw/zinc/78/90/63/663789063.db2.gz FEPJXWYSFQBZLY-GHMZBOCLSA-N 1 0 377.215 2.645 20 0 GFADRO CCc1ccc(S(=O)(=O)N[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)s1 ZINC000903572708 663789218 /nfs/dbraw/zinc/78/92/18/663789218.db2.gz CIGDXRXVMVOSNR-YJBOKZPZSA-N 1 0 378.519 2.845 20 0 GFADRO CCc1ccc(S(=O)(=O)N[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)s1 ZINC000903572707 663789339 /nfs/dbraw/zinc/78/93/39/663789339.db2.gz CIGDXRXVMVOSNR-QAPCUYQASA-N 1 0 378.519 2.845 20 0 GFADRO [NH3+][C@@H]1CN(S(=O)(=O)c2c(Cl)ccc(F)c2F)CC[C@@H]1C(F)(F)F ZINC000903578067 663789798 /nfs/dbraw/zinc/78/97/98/663789798.db2.gz BFJYKOXRBJOLQY-IMTBSYHQSA-N 1 0 378.750 2.518 20 0 GFADRO Cc1nc2ccc(S(=O)(=O)N3CC[C@@H](C(F)(F)F)[C@H]([NH3+])C3)cc2s1 ZINC000903579295 663790060 /nfs/dbraw/zinc/79/00/60/663790060.db2.gz NEEGTDUPRNARDD-GHMZBOCLSA-N 1 0 379.429 2.505 20 0 GFADRO O=S(=O)(Cc1cccc(Cl)c1Br)N1CCC[C@@]12CC[NH2+]C2 ZINC000903592988 663790997 /nfs/dbraw/zinc/79/09/97/663790997.db2.gz UJFVRAIMXRZYSH-AWEZNQCLSA-N 1 0 393.734 2.760 20 0 GFADRO O=S(=O)(c1csc(-c2ccc(Cl)cc2)n1)N1CCC[C@]12CC[NH2+]C2 ZINC000903593442 663791005 /nfs/dbraw/zinc/79/10/05/663791005.db2.gz MTLFRGUURNIHHO-MRXNPFEDSA-N 1 0 383.926 2.980 20 0 GFADRO COC(=O)c1csc(S(=O)(=O)Nc2cc[nH+]c(N3CCCCC3)c2)c1 ZINC000903667086 663800016 /nfs/dbraw/zinc/80/00/16/663800016.db2.gz WSEXYVPJFNBWDQ-UHFFFAOYSA-N 1 0 381.479 2.721 20 0 GFADRO Brc1cccc([C@H]2CN(C[C@@H]3CC4(CO3)CC[NH2+]CC4)CCO2)c1 ZINC000903726232 663805097 /nfs/dbraw/zinc/80/50/97/663805097.db2.gz LCAMGHDWEZSROF-ZWKOTPCHSA-N 1 0 395.341 2.981 20 0 GFADRO Brc1cccc([C@H]2COCCN2C[C@H]2CC3(CO2)CC[NH2+]CC3)c1 ZINC000903767294 663806106 /nfs/dbraw/zinc/80/61/06/663806106.db2.gz VLJNCWNNUKPFRH-QZTJIDSGSA-N 1 0 395.341 2.981 20 0 GFADRO Brc1cnc([C@@H]2CCCN2C[C@H]2CC3(CO2)CC[NH2+]CC3)nc1 ZINC000903786504 663806755 /nfs/dbraw/zinc/80/67/55/663806755.db2.gz KPTZOEHVFCTRQR-CABCVRRESA-N 1 0 381.318 2.535 20 0 GFADRO [NH3+]C[C@]12CC[C@H]1CCCN2CC(=O)Nc1c(F)cc(F)cc1Br ZINC000903798372 663807298 /nfs/dbraw/zinc/80/72/98/663807298.db2.gz NJCYCUMKVKBCSG-QLJPJBMISA-N 1 0 388.256 2.869 20 0 GFADRO COCC[C@@H]1C[NH2+]CCN1Cc1ccnc(-c2ccc(Br)cc2)n1 ZINC000903837760 663808198 /nfs/dbraw/zinc/80/81/98/663808198.db2.gz PTCRMSANKADHBN-QGZVFWFLSA-N 1 0 391.313 2.716 20 0 GFADRO COC(=O)CCN(Cc1cccc(Br)c1)C[C@@H]([NH3+])CC(F)F ZINC000903913481 663811103 /nfs/dbraw/zinc/81/11/03/663811103.db2.gz CTMNGABVAHBSAN-ZDUSSCGKSA-N 1 0 379.245 2.797 20 0 GFADRO Cc1c(C[C@@H](C[NH3+])CN2CCOc3ccc(Br)cc3C2)cnn1C ZINC000903917525 663811432 /nfs/dbraw/zinc/81/14/32/663811432.db2.gz ZGLUAWOKWGOJKZ-AWEZNQCLSA-N 1 0 393.329 2.503 20 0 GFADRO Brc1cc2c(s1)CCN(Cc1cnnn1[C@H]1CCC[NH2+]C1)C2 ZINC000903933878 663812517 /nfs/dbraw/zinc/81/25/17/663812517.db2.gz XOVFGVDFDBGNNV-LBPRGKRZSA-N 1 0 382.331 2.585 20 0 GFADRO [NH3+]Cc1nc2c(s1)CCN(Cc1cc(Br)cc3c1OCC3)C2 ZINC000903942963 663812989 /nfs/dbraw/zinc/81/29/89/663812989.db2.gz ZEANYVYPHIRINQ-UHFFFAOYSA-N 1 0 380.311 2.858 20 0 GFADRO C[NH+](C)C[C@H]1CN(C(=O)c2cnc(Br)s2)c2ccccc2O1 ZINC000903966865 663813929 /nfs/dbraw/zinc/81/39/29/663813929.db2.gz SVTZJYOAPKMTDC-JTQLQIEISA-N 1 0 382.283 2.875 20 0 GFADRO Fc1ccc(Br)c(F)c1CN[C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903973136 663814244 /nfs/dbraw/zinc/81/42/44/663814244.db2.gz OXRGGQBAEBVYNU-LLVKDONJSA-N 1 0 375.257 2.976 20 0 GFADRO Cc1c(-c2nc([C@H]3CCC[NH2+]3)no2)nnn1-c1ccccc1Br ZINC000904075925 663822814 /nfs/dbraw/zinc/82/28/14/663822814.db2.gz SLIYDHUNRKPNNZ-LLVKDONJSA-N 1 0 375.230 2.813 20 0 GFADRO COC[C@H]1C[NH2+]CCN1C(=O)Nc1ccc(Br)cc1C(F)(F)F ZINC000904303874 663830190 /nfs/dbraw/zinc/83/01/90/663830190.db2.gz KJQSNKHZQOJSPQ-SNVBAGLBSA-N 1 0 396.207 2.920 20 0 GFADRO COC[C@@H]1C[NH2+]CCN1C(=O)Nc1cc(Br)c(F)cc1Cl ZINC000904368533 663831734 /nfs/dbraw/zinc/83/17/34/663831734.db2.gz SQJVALHTEDRIHN-QMMMGPOBSA-N 1 0 380.645 2.694 20 0 GFADRO COC[C@@H]1C[NH2+]CCN1C(=O)Nc1ccc(C(F)(F)F)cc1Br ZINC000904391163 663832299 /nfs/dbraw/zinc/83/22/99/663832299.db2.gz FBJAOJGNGOPYQI-JTQLQIEISA-N 1 0 396.207 2.920 20 0 GFADRO [NH3+]C[C@@]12CC[C@@H]1CCN2C(=O)Nc1cccc(F)c1I ZINC000904393981 663832581 /nfs/dbraw/zinc/83/25/81/663832581.db2.gz KEKKHVUGHSPHHQ-OTYXRUKQSA-N 1 0 389.212 2.775 20 0 GFADRO COC(=O)c1cc(NC(=O)N2CCC[C@@H]3CC[C@]32C[NH3+])ccc1Br ZINC000904406591 663833087 /nfs/dbraw/zinc/83/30/87/663833087.db2.gz HNEFVXKZLCBUKO-DIFFPNOSSA-N 1 0 396.285 2.971 20 0 GFADRO COc1cc(OC)c(NC(=O)N2CC[C@H]3CC[C@]32C[NH3+])cc1Br ZINC000904428995 663833875 /nfs/dbraw/zinc/83/38/75/663833875.db2.gz UFQMKSKBOXAISG-HWPZZCPQSA-N 1 0 384.274 2.811 20 0 GFADRO CN(C(=O)Nc1cc2ccccc2nc1Br)C1(C[NH3+])CCOCC1 ZINC000904451334 663835073 /nfs/dbraw/zinc/83/50/73/663835073.db2.gz XFIHFTOTCOKHIE-UHFFFAOYSA-N 1 0 393.285 2.969 20 0 GFADRO CCOc1c(Br)cc(C[NH2+]CCCON)cc1Br ZINC000904457126 663835131 /nfs/dbraw/zinc/83/51/31/663835131.db2.gz NIHJZRZQFZYPQS-UHFFFAOYSA-N 1 0 382.096 2.980 20 0 GFADRO COCC[C@@H]1C[NH2+]CCN1C(=O)Nc1ccc(Cl)cc1OCC(F)F ZINC000904482361 663835762 /nfs/dbraw/zinc/83/57/62/663835762.db2.gz AXRCMMYLVFZHMC-GFCCVEGCSA-N 1 0 377.819 2.826 20 0 GFADRO [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)Nc1ccn(-c3ccc(Br)cc3)n1)C2 ZINC000904485780 663835972 /nfs/dbraw/zinc/83/59/72/663835972.db2.gz YUQDLCQQNXLLCO-WHOFXGATSA-N 1 0 390.285 2.978 20 0 GFADRO COCC[C@@H]1C[NH2+]CCN1C(=O)Nc1ccc(Br)c(C2CC2)n1 ZINC000904484770 663836006 /nfs/dbraw/zinc/83/60/06/663836006.db2.gz PXBYLKLSZUKCIJ-GFCCVEGCSA-N 1 0 383.290 2.564 20 0 GFADRO COCCOc1ccc(NC(=O)N2CCC[C@H]3[NH2+]CC[C@H]32)cc1Br ZINC000904549916 663837471 /nfs/dbraw/zinc/83/74/71/663837471.db2.gz YVXYLRUXHVFFSC-HUUCEWRRSA-N 1 0 398.301 2.833 20 0 GFADRO COCCOc1ccc(NC(=O)N2CCC(C)([NH3+])CC2)cc1Br ZINC000904552696 663838165 /nfs/dbraw/zinc/83/81/65/663838165.db2.gz VVSWZUUPNZTCJJ-UHFFFAOYSA-N 1 0 386.290 2.819 20 0 GFADRO C[C@H]([NH3+])C1(c2nc(Cc3cc(Br)ccc3F)no2)CCOCC1 ZINC000904664785 663839573 /nfs/dbraw/zinc/83/95/73/663839573.db2.gz JUAIWUKNRCEKES-JTQLQIEISA-N 1 0 384.249 2.957 20 0 GFADRO C[C@H](c1noc([C@]23C[NH2+]C[C@H]2CCOC3)n1)c1ccc(Br)cc1 ZINC000904678520 663840404 /nfs/dbraw/zinc/84/04/04/663840404.db2.gz UQECLBFMQLKQBI-PPHDSNJXSA-N 1 0 378.270 2.861 20 0 GFADRO C[C@@H]([NH3+])C1(c2nc(-c3cn4ccc(Br)cc4n3)no2)CCOCC1 ZINC000904720864 663842022 /nfs/dbraw/zinc/84/20/22/663842022.db2.gz HBRYYPBQAJHXEC-SNVBAGLBSA-N 1 0 392.257 2.542 20 0 GFADRO CCCS(=O)(=O)N1CCC([NH2+]C[C@H](O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000905046856 663850506 /nfs/dbraw/zinc/85/05/06/663850506.db2.gz CUQDQUICEINJDA-INIZCTEOSA-N 1 0 395.352 2.821 20 0 GFADRO Cc1cc(Br)cn2cc(CC[NH2+]C[C@@H](O)CC3(O)CCCC3)nc12 ZINC000905210061 663858453 /nfs/dbraw/zinc/85/84/53/663858453.db2.gz ULDCJRGHAIWPNH-INIZCTEOSA-N 1 0 396.329 2.593 20 0 GFADRO Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+]C[C@](C)(O)C(F)(F)C(F)(F)F)cc1 ZINC000905220093 663859854 /nfs/dbraw/zinc/85/98/54/663859854.db2.gz PENSZVDUFNKIKR-AAEUAGOBSA-N 1 0 389.386 2.695 20 0 GFADRO CCn1c2ccc(Br)cc2nc1C[NH2+]C[C@@H](O)CCC1(O)CCC1 ZINC000905229762 663860837 /nfs/dbraw/zinc/86/08/37/663860837.db2.gz JJTGEBOWNOOMRB-AWEZNQCLSA-N 1 0 396.329 2.964 20 0 GFADRO [NH3+]C1(c2noc(-c3cnnn3-c3ccccc3Br)n2)CCCC1 ZINC000905304249 663865318 /nfs/dbraw/zinc/86/53/18/663865318.db2.gz CVBBBCBYIZPBJJ-UHFFFAOYSA-N 1 0 375.230 2.808 20 0 GFADRO Ic1ccccc1Cc1nc(CC2CC[NH2+]CC2)no1 ZINC000905317634 663865556 /nfs/dbraw/zinc/86/55/56/663865556.db2.gz UEHSDIFIRILNIO-UHFFFAOYSA-N 1 0 383.233 2.807 20 0 GFADRO O=S(=O)(CC1CC[NH2+]CC1)N(Cc1cccc(Br)c1)C1CC1 ZINC000905332384 663865914 /nfs/dbraw/zinc/86/59/14/663865914.db2.gz INUKFAKXBQFIOX-UHFFFAOYSA-N 1 0 387.343 2.743 20 0 GFADRO C[C@@H](NS(=O)(=O)CC1CC[NH2+]CC1)c1ccc(Br)cc1F ZINC000905346367 663866734 /nfs/dbraw/zinc/86/67/34/663866734.db2.gz RGVIFNHSIRBTHV-SNVBAGLBSA-N 1 0 379.295 2.568 20 0 GFADRO CC(C)O[C@@]1(C[NH2+]C[C@@H](O)COc2c(Cl)cccc2Cl)CCOC1 ZINC000905556901 663878313 /nfs/dbraw/zinc/87/83/13/663878313.db2.gz KPBZOKXWTKKRDJ-CXAGYDPISA-N 1 0 378.296 2.907 20 0 GFADRO CCS(=O)(=O)c1ccccc1CC[NH2+]C[C@@H](O)Cc1cccc(Cl)c1 ZINC000905560409 663878592 /nfs/dbraw/zinc/87/85/92/663878592.db2.gz MFWOYIPRMWVOSN-SFHVURJKSA-N 1 0 381.925 2.869 20 0 GFADRO C[C@](O)(C[NH2+]CC1(n2cc(Br)cn2)CC1)C(F)(F)C(F)(F)F ZINC000905585904 663879793 /nfs/dbraw/zinc/87/97/93/663879793.db2.gz HMHFSWMPGXOOEE-VIFPVBQESA-N 1 0 392.166 2.673 20 0 GFADRO O[C@H](C[NH2+]C[C@H]1CCN1C1CCOCC1)COc1ccc(Cl)cc1Cl ZINC000905623948 663882252 /nfs/dbraw/zinc/88/22/52/663882252.db2.gz JQHMZZYKVYIFEL-HZPDHXFCSA-N 1 0 389.323 2.576 20 0 GFADRO C[NH+]1CCC(NC(=S)N[C@@H]2CCOc3ccc(Br)cc32)CC1 ZINC000905641772 663883232 /nfs/dbraw/zinc/88/32/32/663883232.db2.gz JHNPUSDEEALNSW-CQSZACIVSA-N 1 0 384.343 2.831 20 0 GFADRO C[NH+]1CCC(NC(=S)N2CCC[C@@H]2c2cncc(Br)c2)CC1 ZINC000905643723 663883236 /nfs/dbraw/zinc/88/32/36/663883236.db2.gz GIOZXFFABPUZIG-OAHLLOKOSA-N 1 0 383.359 2.950 20 0 GFADRO C[NH+]1CCC(NC(=S)N2CCCC[C@H]2c2ncc(Br)cn2)CC1 ZINC000905663621 663884618 /nfs/dbraw/zinc/88/46/18/663884618.db2.gz WUJYXBGRGKIZHA-AWEZNQCLSA-N 1 0 398.374 2.735 20 0 GFADRO OC[C@@H]1COc2ccccc2[C@@H]1[NH2+]C[C@@H](O)c1cccc(Br)c1 ZINC000905666771 663884713 /nfs/dbraw/zinc/88/47/13/663884713.db2.gz LIKVSTUVDWZZBM-MZMPZRCHSA-N 1 0 378.266 2.814 20 0 GFADRO COC(=O)C1CC2(C1)C[C@@H]([NH2+]C[C@@](C)(O)C(F)(F)C(F)(F)F)CCS2 ZINC000905698274 663887240 /nfs/dbraw/zinc/88/72/40/663887240.db2.gz ZGHFBXWZOPHPFH-CXFXUWLJSA-N 1 0 391.402 2.742 20 0 GFADRO C[C@]1([C@@H]2CCCN(Cn3ncc4c3cccc4Br)C2)COC(=O)N1 ZINC000905709247 663888217 /nfs/dbraw/zinc/88/82/17/663888217.db2.gz ZIQROOGMHPBUAO-SJKOYZFVSA-N 1 0 393.285 2.967 20 0 GFADRO NC(=O)[C@@H](Cc1ccccc1)[NH2+][C@@H]1CCOc2ccc(Br)cc21 ZINC000905852374 663896829 /nfs/dbraw/zinc/89/68/29/663896829.db2.gz JAXYEJUECMSTSP-HZPDHXFCSA-N 1 0 375.266 2.959 20 0 GFADRO CC(C)[N@@H+]1CCCN(C(=O)C(F)(F)c2ncccc2Br)CC1 ZINC000906546918 663957162 /nfs/dbraw/zinc/95/71/62/663957162.db2.gz SNELMIGYHWSHAF-UHFFFAOYSA-N 1 0 376.245 2.879 20 0 GFADRO O=C(C[C@H](O)C(Cl)(Cl)Cl)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000906566676 663958751 /nfs/dbraw/zinc/95/87/51/663958751.db2.gz MQGSALRJLCTXOP-CABCVRRESA-N 1 0 393.742 2.788 20 0 GFADRO O=C(c1cccn2ncc(Br)c12)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000906610540 663960759 /nfs/dbraw/zinc/96/07/59/663960759.db2.gz GDZBFRNGYGBBBU-ZDUSSCGKSA-N 1 0 377.286 2.797 20 0 GFADRO C[NH+](C)C1(CNC(=O)Cc2cc(Br)ccc2Cl)CCOCC1 ZINC000906696017 663965543 /nfs/dbraw/zinc/96/55/43/663965543.db2.gz CKSHFEDWIXGQCJ-UHFFFAOYSA-N 1 0 389.721 2.872 20 0 GFADRO COC(=O)c1nc(C(=O)NC[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)cs1 ZINC000906794788 663971592 /nfs/dbraw/zinc/97/15/92/663971592.db2.gz ZYAWLRFOSXXDNB-BXUZGUMPSA-N 1 0 379.507 2.804 20 0 GFADRO Cc1cc(Br)c(CC(=O)NCCN2CCC([NH+](C)C)CC2)s1 ZINC000906906545 663981070 /nfs/dbraw/zinc/98/10/70/663981070.db2.gz HKAKCEFWTXVKMD-UHFFFAOYSA-N 1 0 388.375 2.504 20 0 GFADRO CCO[C@H](CC[NH+](C)C)CNC(=O)c1ccc(Cn2cc(Cl)cn2)s1 ZINC000906941704 663984684 /nfs/dbraw/zinc/98/46/84/663984684.db2.gz KSIHGKSXQFLZDM-CQSZACIVSA-N 1 0 384.933 2.733 20 0 GFADRO COc1ncccc1S(=O)(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000906988634 663989323 /nfs/dbraw/zinc/98/93/23/663989323.db2.gz ZLNRHEYPMHCAAS-BBRMVZONSA-N 1 0 381.523 2.513 20 0 GFADRO C[NH+](C)CCN(Cc1ccco1)S(=O)(=O)c1c[nH]c2ncc(Cl)cc12 ZINC000907037851 663995366 /nfs/dbraw/zinc/99/53/66/663995366.db2.gz DMZMKQYPKFPEDU-UHFFFAOYSA-N 1 0 382.873 2.562 20 0 GFADRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2cccn3ncc(Br)c23)C1 ZINC000907065557 663998868 /nfs/dbraw/zinc/99/88/68/663998868.db2.gz QFHYWSRSLPIRKG-DOMZBBRYSA-N 1 0 377.286 2.653 20 0 GFADRO CC[N@@H+]1C[C@@H](C)N(C(=O)c2cc(Br)cn(C3CC3)c2=O)C[C@@H]1C ZINC000907174080 664009166 /nfs/dbraw/zinc/00/91/66/664009166.db2.gz FMZFCBWUUIASJN-NWDGAFQWSA-N 1 0 382.302 2.500 20 0 GFADRO C[NH+]1CCC(CCO)(NC(=O)Cc2cc(Br)ccc2Cl)CC1 ZINC000907239273 664014761 /nfs/dbraw/zinc/01/47/61/664014761.db2.gz STUDYAYSHHELKI-UHFFFAOYSA-N 1 0 389.721 2.608 20 0 GFADRO CN(C)c1cc[nH+]c(NC(=O)c2cc(Br)cn(C3CC3)c2=O)c1 ZINC000907323637 664023612 /nfs/dbraw/zinc/02/36/12/664023612.db2.gz ICBLYMONZZLKDR-UHFFFAOYSA-N 1 0 377.242 2.659 20 0 GFADRO Cc1ccc(C[N@H+]2CC[C@H](CN(C)S(=O)(=O)C[C@@H]3CCCOC3)C2)s1 ZINC000907343330 664025423 /nfs/dbraw/zinc/02/54/23/664025423.db2.gz BJJALRQZBYWPLB-IAGOWNOFSA-N 1 0 386.583 2.567 20 0 GFADRO Cc1ccc(C[N@H+]2CC[C@H](CN(C)S(=O)(=O)[C@H]3CCOC[C@H]3C)C2)s1 ZINC000907346974 664026262 /nfs/dbraw/zinc/02/62/62/664026262.db2.gz QCWYLZUSRDAYMV-KYJSFNMBSA-N 1 0 386.583 2.565 20 0 GFADRO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)S(=O)(=O)C[C@H]3CCCCO3)C2)s1 ZINC000907347944 664027262 /nfs/dbraw/zinc/02/72/62/664027262.db2.gz YCWAFARIWZUOIS-DLBZAZTESA-N 1 0 386.583 2.709 20 0 GFADRO CC(C)[N@@H+]1CCC[C@@H](NC(=O)c2cc(Br)cn(C3CC3)c2=O)C1 ZINC000907431162 664033998 /nfs/dbraw/zinc/03/39/98/664033998.db2.gz FAOFHEJGIGRKEV-CYBMUJFWSA-N 1 0 382.302 2.548 20 0 GFADRO C[NH+]1CCC2(CCN2S(=O)(=O)/C=C\c2cccc(Br)c2)CC1 ZINC000907852447 664065446 /nfs/dbraw/zinc/06/54/46/664065446.db2.gz BEPMPVACDPUURP-XGICHPGQSA-N 1 0 385.327 2.920 20 0 GFADRO CN1CC[N@H+](C)CC(C(=O)NCc2cnc(-c3ccc(Cl)cc3)s2)C1 ZINC000908085429 664082450 /nfs/dbraw/zinc/08/24/50/664082450.db2.gz IIDQVEPXDLDLRY-UHFFFAOYSA-N 1 0 378.929 2.573 20 0 GFADRO CCCN(CC[NH+]1CCCCC1)C(=O)c1cc2ncc(Br)cn2n1 ZINC000908155261 664088368 /nfs/dbraw/zinc/08/83/68/664088368.db2.gz HTQNZYCAOVAGBJ-UHFFFAOYSA-N 1 0 394.317 2.830 20 0 GFADRO COc1cc(Br)ccc1OC(=O)CCN1CC[NH+](C(C)C)CC1 ZINC000908224053 664093268 /nfs/dbraw/zinc/09/32/68/664093268.db2.gz SLHKAUXRMDNWAS-UHFFFAOYSA-N 1 0 385.302 2.779 20 0 GFADRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)C(F)(F)c3ncccc3Br)C2)C1 ZINC000908424352 664105297 /nfs/dbraw/zinc/10/52/97/664105297.db2.gz ZHCIKCUMDCDUHF-OAHLLOKOSA-N 1 0 388.256 2.880 20 0 GFADRO Cc1ccc(F)c(C(=O)N2CCC(CO)([NH2+]C(C)C)CC2)c1Br ZINC000908602614 664117023 /nfs/dbraw/zinc/11/70/23/664117023.db2.gz OZWVHWOLKLDJCO-UHFFFAOYSA-N 1 0 387.293 2.862 20 0 GFADRO CC(C)[NH2+]C1(CO)CCN(C(=O)c2cc(Br)c(F)cc2F)CC1 ZINC000908602309 664117104 /nfs/dbraw/zinc/11/71/04/664117104.db2.gz LVPZBQCMAYWICL-UHFFFAOYSA-N 1 0 391.256 2.692 20 0 GFADRO CC(C)[NH2+]C1(CO)CCN(C(=O)[C@@H]2CCc3cc(Br)ccc32)CC1 ZINC000908608893 664117400 /nfs/dbraw/zinc/11/74/00/664117400.db2.gz NZHGSNUMUDMIHW-QGZVFWFLSA-N 1 0 395.341 2.830 20 0 GFADRO CC(C)(C[NH+]1CCCC1)NC(=O)C(F)(F)c1ncccc1Br ZINC000909430627 664158650 /nfs/dbraw/zinc/15/86/50/664158650.db2.gz GLGJXCFRGVFWEQ-UHFFFAOYSA-N 1 0 376.245 2.927 20 0 GFADRO CC[C@H](NC(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C1)c1ccc(Cl)s1 ZINC000911032203 664233498 /nfs/dbraw/zinc/23/34/98/664233498.db2.gz CSIMHOPJHIZCBN-UTLUCORTSA-N 1 0 397.850 2.707 20 0 GFADRO C[NH2+]C[C@@H]1CCCN(C(=O)c2cc(Br)cnc2Br)C1 ZINC000911632829 664250958 /nfs/dbraw/zinc/25/09/58/664250958.db2.gz CNRKEDPNXLWLKC-VIFPVBQESA-N 1 0 391.107 2.678 20 0 GFADRO Cn1c(C(=O)N(C2CC2)C2CC[NH2+]CC2)cc2cc(Br)cnc21 ZINC000911678040 664252385 /nfs/dbraw/zinc/25/23/85/664252385.db2.gz RBIWOSFGRCDXRJ-UHFFFAOYSA-N 1 0 377.286 2.692 20 0 GFADRO C[C@@H](NC(=O)c1cnn(Cc2ccccc2)c1Br)[C@H]1CCC[NH2+]C1 ZINC000911726876 664254236 /nfs/dbraw/zinc/25/42/36/664254236.db2.gz VUHUGQGWBIGKHJ-HIFRSBDPSA-N 1 0 391.313 2.812 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)[C@@H](C)c2ccc(I)cc2)C1 ZINC000911826737 664257469 /nfs/dbraw/zinc/25/74/69/664257469.db2.gz RPXWUPDRUCVBNH-OUCADQQQSA-N 1 0 386.277 2.981 20 0 GFADRO C[C@H]([NH3+])c1ccc(CNC(=O)c2cc(Br)cn(C3CC3)c2=O)cc1 ZINC000911857929 664259416 /nfs/dbraw/zinc/25/94/16/664259416.db2.gz XQGGETDKYUZOFJ-NSHDSACASA-N 1 0 390.281 2.895 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CN(C(=O)c2cc(-c3ccc(Br)cc3)ns2)CCO1 ZINC000911882374 664260798 /nfs/dbraw/zinc/26/07/98/664260798.db2.gz JIIIRWWEBHACED-YGRLFVJLSA-N 1 0 396.310 2.761 20 0 GFADRO Cc1cc(C)c(NC(=O)c2cc(Br)cn(CC[NH3+])c2=O)c(C)c1 ZINC000911907280 664261444 /nfs/dbraw/zinc/26/14/44/664261444.db2.gz VOOUIBMGXHIXDR-UHFFFAOYSA-N 1 0 378.270 2.747 20 0 GFADRO CC[C@@H](Cc1cccc(Br)c1)C(=O)N(CCO)C1CC[NH+](C)CC1 ZINC000911938050 664262799 /nfs/dbraw/zinc/26/27/99/664262799.db2.gz AFMLRJAJFLKYRX-INIZCTEOSA-N 1 0 397.357 2.933 20 0 GFADRO C[N@@H+]1CCN(C(=O)c2cc(Br)cn(C3CC3)c2=O)C[C@H]1C(C)(C)C ZINC000912027554 664267182 /nfs/dbraw/zinc/26/71/82/664267182.db2.gz SDXNEEYPIXQOAI-HNNXBMFYSA-N 1 0 396.329 2.748 20 0 GFADRO O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1cc(Br)cn(C2CC2)c1=O ZINC000912065959 664269136 /nfs/dbraw/zinc/26/91/36/664269136.db2.gz PALQKQZXANJBNE-HZPDHXFCSA-N 1 0 394.313 2.692 20 0 GFADRO C[NH+]1CCC2(CC1)CN(c1ccc(-c3nnc(Br)o3)cc1)CCO2 ZINC000912228900 664276718 /nfs/dbraw/zinc/27/67/18/664276718.db2.gz ARVSUACIJDJJTI-UHFFFAOYSA-N 1 0 393.285 2.800 20 0 GFADRO O=C(N[C@H]1CC[N@@H+](C2CCCCC2)C1)c1cc2ncc(Br)cn2n1 ZINC000912504784 664291253 /nfs/dbraw/zinc/29/12/53/664291253.db2.gz UJEQMEVBSVQQMN-ZDUSSCGKSA-N 1 0 392.301 2.629 20 0 GFADRO CC[NH+](CC)CCOC(=O)CCNS(=O)(=O)c1c(Cl)cccc1Cl ZINC000912578337 664293637 /nfs/dbraw/zinc/29/36/37/664293637.db2.gz UAEDWFCCUIKKDH-UHFFFAOYSA-N 1 0 397.324 2.547 20 0 GFADRO Cc1cc(Br)c(CC(=O)N2CCO[C@H](CCC[NH+](C)C)C2)s1 ZINC000912733336 664300043 /nfs/dbraw/zinc/30/00/43/664300043.db2.gz QEBFMOSLTWIKNL-CYBMUJFWSA-N 1 0 389.359 2.931 20 0 GFADRO O=C(NC[C@@H]1CCC[N@H+](CC2CC2)C1)[C@@H](O)c1cccc(Br)c1 ZINC000912765078 664300865 /nfs/dbraw/zinc/30/08/65/664300865.db2.gz RCOHFAUHCHYTLC-YOEHRIQHSA-N 1 0 381.314 2.721 20 0 GFADRO O=C(c1ccc(Cl)s1)N1CCC(C(=O)N2CC[C@@H]([NH+]3CCC3)C2)CC1 ZINC000912920338 664310153 /nfs/dbraw/zinc/31/01/53/664310153.db2.gz TXKWVMRRBASFAA-CQSZACIVSA-N 1 0 381.929 2.560 20 0 GFADRO O=C([C@@H]1CCN(c2cc(Cl)ccc2Cl)C1=O)N1CC[C@H]([NH+]2CCC2)C1 ZINC000912918447 664310214 /nfs/dbraw/zinc/31/02/14/664310214.db2.gz FDAKZISGLKZWRE-KBPBESRZSA-N 1 0 382.291 2.653 20 0 GFADRO C[N@@H+]1C[C@@]2(C)CN(C(=O)c3cc(Br)cn4ccnc34)C[C@@]2(C)C1 ZINC000913274491 664330740 /nfs/dbraw/zinc/33/07/40/664330740.db2.gz MZVWVCIFQWHORA-CALCHBBNSA-N 1 0 377.286 2.511 20 0 GFADRO CN(CC1CC[NH+](C)CC1)S(=O)(=O)Cc1ccsc1Br ZINC000914062779 664373809 /nfs/dbraw/zinc/37/38/09/664373809.db2.gz LQPQDTWMJAMOGH-UHFFFAOYSA-N 1 0 381.361 2.614 20 0 GFADRO C[NH+](C)CC1(O)CCN(C(=O)CCOc2cccc(Cl)c2Cl)CC1 ZINC000913681533 664349627 /nfs/dbraw/zinc/34/96/27/664349627.db2.gz MQSXCXFIOZZLHD-UHFFFAOYSA-N 1 0 375.296 2.677 20 0 GFADRO Cn1cc(CNC(=O)NCCC[N@H+](C)Cc2ccccc2)c(Br)n1 ZINC000913939679 664367368 /nfs/dbraw/zinc/36/73/68/664367368.db2.gz YDPWKXPRJCRGQH-UHFFFAOYSA-N 1 0 394.317 2.504 20 0 GFADRO O=S(=O)(c1occc1Br)N1CCC(C[NH+]2CCCCC2)CC1 ZINC000913968219 664369408 /nfs/dbraw/zinc/36/94/08/664369408.db2.gz KADNYIDNKAUIFE-UHFFFAOYSA-N 1 0 391.331 2.929 20 0 GFADRO O=S(=O)(c1occc1Br)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000914055975 664373501 /nfs/dbraw/zinc/37/35/01/664373501.db2.gz RNCOFRNRTBXFIU-LBPRGKRZSA-N 1 0 377.304 2.681 20 0 GFADRO O=S(=O)(c1occc1Br)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000914078153 664374885 /nfs/dbraw/zinc/37/48/85/664374885.db2.gz IQGHWUZODJNUJT-LBPRGKRZSA-N 1 0 377.304 2.681 20 0 GFADRO C[C@@H](C[NH+]1CCCCC1)NC(=O)N1CCC[C@@H]1c1ncc(Br)cn1 ZINC000914080442 664375153 /nfs/dbraw/zinc/37/51/53/664375153.db2.gz DGHKHLNCYGBLOC-DZGCQCFKSA-N 1 0 396.333 2.960 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)NCc1cn(C)nc1Br ZINC000914098450 664376432 /nfs/dbraw/zinc/37/64/32/664376432.db2.gz CYQPMAAGLAMIRS-CYBMUJFWSA-N 1 0 386.338 2.636 20 0 GFADRO CC[NH+](CC)CCO[C@H]1CCN(S(=O)(=O)c2cscc2C(F)F)C1 ZINC000914215569 664386622 /nfs/dbraw/zinc/38/66/22/664386622.db2.gz NVWQBFXATOIETP-LBPRGKRZSA-N 1 0 382.498 2.807 20 0 GFADRO CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)NCCc1ccc(Cl)s1)C2 ZINC000914231331 664388776 /nfs/dbraw/zinc/38/87/76/664388776.db2.gz GYRPFSQKJIUWOY-SZXPJGKVSA-N 1 0 385.961 2.723 20 0 GFADRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N(C)Cc1ncc(Br)cn1 ZINC000914341006 664401503 /nfs/dbraw/zinc/40/15/03/664401503.db2.gz JYNJKKMWLIYSAR-OLZOCXBDSA-N 1 0 384.322 2.501 20 0 GFADRO O=C(NCCc1nc2ccccc2s1)N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000914389801 664405313 /nfs/dbraw/zinc/40/53/13/664405313.db2.gz ICUZNIPRZKJZAC-DZGCQCFKSA-N 1 0 376.551 2.718 20 0 GFADRO COc1ccc([C@@H](O)C[NH2+]C[C@H](O)COc2ccc(Br)cc2)cc1 ZINC000915226566 664424548 /nfs/dbraw/zinc/42/45/48/664424548.db2.gz KIMALPFUSWNNON-YJBOKZPZSA-N 1 0 396.281 2.521 20 0 GFADRO COc1ccc([C@H](O)C[NH2+]C[C@H](O)COc2ccc(Br)cc2)cc1 ZINC000915226352 664424559 /nfs/dbraw/zinc/42/45/59/664424559.db2.gz KIMALPFUSWNNON-MAUKXSAKSA-N 1 0 396.281 2.521 20 0 GFADRO CC(=O)N[C@H](CC(=O)N[C@@H](C[NH+](C)C)C(C)C)c1ccc(Br)cc1 ZINC000915624214 664435936 /nfs/dbraw/zinc/43/59/36/664435936.db2.gz MBRKKFHPQXDZFZ-SJORKVTESA-N 1 0 398.345 2.719 20 0 GFADRO O=C(Nc1cc2c(cc1Br)OCCO2)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000915679896 664437188 /nfs/dbraw/zinc/43/71/88/664437188.db2.gz MVSUAIBJYARTLR-RYUDHWBXSA-N 1 0 396.285 2.969 20 0 GFADRO CC[NH+]1CCN(c2ccc(NC(=O)c3n[nH]c(C)c3Br)cc2)CC1 ZINC000917498904 664484985 /nfs/dbraw/zinc/48/49/85/664484985.db2.gz MHIYXKZVIKEMDM-UHFFFAOYSA-N 1 0 392.301 2.875 20 0 GFADRO CC[N@@H+]1CCCC[C@H]1CNC(=O)NC1(c2ncc(Br)cn2)CCC1 ZINC000917899098 664492223 /nfs/dbraw/zinc/49/22/23/664492223.db2.gz RILBCLYKTAHIJV-AWEZNQCLSA-N 1 0 396.333 2.792 20 0 GFADRO Cc1ccc(/C=C\C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)c(Br)c1 ZINC000918698992 664502890 /nfs/dbraw/zinc/50/28/90/664502890.db2.gz LTRFPAGXULVPHY-MWWKQMNYSA-N 1 0 394.357 2.770 20 0 GFADRO C[C@@H]1C[N@@H+](CC2CCN(S(=O)(=O)CCCC(C)(F)F)CC2)C[C@H](C)O1 ZINC000919721109 664517203 /nfs/dbraw/zinc/51/72/03/664517203.db2.gz PXKIDVXUPQMUAM-GASCZTMLSA-N 1 0 382.517 2.573 20 0 GFADRO O=c1n2ccccc2nn1CN1CCC[C@H]1Cc1ccc(Br)cc1 ZINC000920758223 664530614 /nfs/dbraw/zinc/53/06/14/664530614.db2.gz NPMBDUGNELIGHI-INIZCTEOSA-N 1 0 387.281 2.923 20 0 GFADRO CN(C)c1cc[nH+]c(CNS(=O)(=O)CCc2ccccc2Br)c1 ZINC000921024129 664535567 /nfs/dbraw/zinc/53/55/67/664535567.db2.gz DCGKSYKGHLLNOK-UHFFFAOYSA-N 1 0 398.326 2.572 20 0 GFADRO O=C(NCc1cnc(Br)cn1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000921222214 664539359 /nfs/dbraw/zinc/53/93/59/664539359.db2.gz UIBBAZRXWVWABK-UHFFFAOYSA-N 1 0 396.333 2.835 20 0 GFADRO C[NH+](C)CC[C@H](NS(=O)(=O)C[C@@H]1CCCC(F)(F)C1)c1cccnc1 ZINC000921479167 664549975 /nfs/dbraw/zinc/54/99/75/664549975.db2.gz CKWZDCLQHUMSQM-ZBFHGGJFSA-N 1 0 375.485 2.819 20 0 GFADRO C[NH+](C)CC[C@@H](NS(=O)(=O)C[C@]1(C)CC1(Cl)Cl)c1cccnc1 ZINC000921479198 664550035 /nfs/dbraw/zinc/55/00/35/664550035.db2.gz CWRQOPQCZYTDTQ-KGLIPLIRSA-N 1 0 380.341 2.578 20 0 GFADRO Cc1nn(C)c(C[NH2+]C[C@H](O)COc2cccc(C(F)(F)F)c2)c1Cl ZINC000921591548 664556475 /nfs/dbraw/zinc/55/64/75/664556475.db2.gz VTKCGLTZUUUCRR-LBPRGKRZSA-N 1 0 377.794 2.930 20 0 GFADRO O=C(NCCC[NH2+]Cc1cnn(CCF)c1)c1cccc(Br)c1 ZINC000921645336 664559182 /nfs/dbraw/zinc/55/91/82/664559182.db2.gz ACCJUOCWCNOADU-UHFFFAOYSA-N 1 0 383.265 2.525 20 0 GFADRO CCn1c(C[NH2+]C[C@](C)(O)C(C)C)nc(Br)c1Br ZINC000921732345 664565111 /nfs/dbraw/zinc/56/51/11/664565111.db2.gz MJKITEOCSMQRIM-LBPRGKRZSA-N 1 0 383.128 2.925 20 0 GFADRO O=C(NCC[NH2+][C@@H]1CC[C@@H]2COCC[C@H]2C1)c1cccc(Br)c1 ZINC000921739009 664565906 /nfs/dbraw/zinc/56/59/06/664565906.db2.gz LJRXERUXVVVQCO-YSVLISHTSA-N 1 0 381.314 2.974 20 0 GFADRO CCn1c(C[NH2+]C[C@H](C)C[C@@H](C)O)nc(Br)c1Br ZINC000921769407 664567451 /nfs/dbraw/zinc/56/74/51/664567451.db2.gz JPCPQIWWFFHQNM-RKDXNWHRSA-N 1 0 383.128 2.925 20 0 GFADRO CN(C)c1ccc(N2CCC([NH2+]Cc3nc(Br)c[nH]3)CC2)cc1 ZINC000921787215 664568613 /nfs/dbraw/zinc/56/86/13/664568613.db2.gz LOVSZKKBRZZPNG-UHFFFAOYSA-N 1 0 378.318 2.997 20 0 GFADRO CC[C@H](CCO)C[NH2+]Cc1nc(Br)c(Br)n1CC ZINC000921830692 664571235 /nfs/dbraw/zinc/57/12/35/664571235.db2.gz PGNVDIAZSASEPW-SECBINFHSA-N 1 0 383.128 2.926 20 0 GFADRO COC(=O)CS(=O)(=O)Cc1ccc(C[NH2+][C@H]2CCC[C@H](SC)C2)cc1 ZINC000921839574 664571610 /nfs/dbraw/zinc/57/16/10/664571610.db2.gz LLCDVUHGJLXDHH-IRXDYDNUSA-N 1 0 385.551 2.538 20 0 GFADRO O=c1cc(C[NH2+]Cc2ccc(Br)cc2N2CCOCC2)cc[nH]1 ZINC000921861284 664573675 /nfs/dbraw/zinc/57/36/75/664573675.db2.gz HZBJVSVVQDDKOC-UHFFFAOYSA-N 1 0 378.270 2.676 20 0 GFADRO O=S(=O)(NCCC[NH2+][C@@H]1CC[C@@H]2COCC[C@@H]2C1)c1ccccc1Cl ZINC000922091829 664585406 /nfs/dbraw/zinc/58/54/06/664585406.db2.gz MOXAPQDHHXIMQY-BZUAXINKSA-N 1 0 386.945 2.803 20 0 GFADRO O[C@H](C[NH2+]Cc1nc(Br)c[nH]1)c1cccc(Br)c1 ZINC000922110942 664586303 /nfs/dbraw/zinc/58/63/03/664586303.db2.gz SQURRVDWSADITG-SNVBAGLBSA-N 1 0 375.064 2.758 20 0 GFADRO Cn1nc2c(c1C[NH2+]C[C@H](CO)Cc1cc(Br)ccc1F)CCC2 ZINC000922163134 664588448 /nfs/dbraw/zinc/58/84/48/664588448.db2.gz ZVMVGJYRFDPNCX-GFCCVEGCSA-N 1 0 396.304 2.751 20 0 GFADRO Cn1nc2c(c1C[NH2+]C[C@H](CO)Cc1ccc(F)c(Br)c1)CCC2 ZINC000922168358 664588680 /nfs/dbraw/zinc/58/86/80/664588680.db2.gz KNOLLYLBZHPPHW-CYBMUJFWSA-N 1 0 396.304 2.751 20 0 GFADRO CC(C)(C)OC(=O)[C@H](C[NH2+]Cc1nc(Br)c[nH]1)C1CCOCC1 ZINC000922300108 664593847 /nfs/dbraw/zinc/59/38/47/664593847.db2.gz UUQKYFLMLRLFDC-GFCCVEGCSA-N 1 0 388.306 2.646 20 0 GFADRO CCn1c(C[NH2+]C[C@H]2C[C@H](OC)C2)nc(Br)c1Br ZINC000922331712 664595134 /nfs/dbraw/zinc/59/51/34/664595134.db2.gz JRZMYDAPYHKNCB-KYZUINATSA-N 1 0 381.112 2.943 20 0 GFADRO Cc1c(Br)cncc1C[NH2+]CC1CCC(S(C)(=O)=O)CC1 ZINC000922417006 664600686 /nfs/dbraw/zinc/60/06/86/664600686.db2.gz FXBVJVDDXRZFKK-UHFFFAOYSA-N 1 0 375.332 2.846 20 0 GFADRO COc1cc(C[NH2+][C@@H]2CCCN3CCSC[C@@H]23)cc(Br)c1O ZINC000922525497 664605769 /nfs/dbraw/zinc/60/57/69/664605769.db2.gz RITWGSDLYFHSMC-KGLIPLIRSA-N 1 0 387.343 2.833 20 0 GFADRO O=C1C[C@H](CC[NH2+]Cc2cc(Cl)ccc2I)CN1 ZINC000922778781 664614364 /nfs/dbraw/zinc/61/43/64/664614364.db2.gz JHSGDDVWGLETTP-VIFPVBQESA-N 1 0 378.641 2.560 20 0 GFADRO CCC[C@H](O)CC[NH2+]Cc1cc(Br)ccc1O[C@@H](C)C(=O)NC ZINC000922820296 664615513 /nfs/dbraw/zinc/61/55/13/664615513.db2.gz HLRKWPJEYKHFPQ-WFASDCNBSA-N 1 0 387.318 2.603 20 0 GFADRO COc1sc(C[NH2+]C2C[C@H]3CC[C@@H](C2)S3(=O)=O)cc1Br ZINC000922848657 664616336 /nfs/dbraw/zinc/61/63/36/664616336.db2.gz KZPIRAPOKSAKAM-UQPYNNQESA-N 1 0 380.329 2.717 20 0 GFADRO COc1ccc(Br)c(C(=O)N2CCC([NH2+]C3CCOCC3)CC2)c1 ZINC000922851328 664616466 /nfs/dbraw/zinc/61/64/66/664616466.db2.gz SRQCMEPBBBPAOI-UHFFFAOYSA-N 1 0 397.313 2.831 20 0 GFADRO CCCOc1c(Br)cc(C[NH2+]C[C@@H](O)c2ccnn2C)cc1OC ZINC000922975980 664620525 /nfs/dbraw/zinc/62/05/25/664620525.db2.gz ABVJJFPGBMOULZ-OAHLLOKOSA-N 1 0 398.301 2.803 20 0 GFADRO C[C@@H]1CN(C[C@H](O)COc2ccc(Cl)cc2Br)C[C@@H](C)[NH2+]1 ZINC000923285056 664627457 /nfs/dbraw/zinc/62/74/57/664627457.db2.gz AARWEEUINODCMZ-WZRBSPASSA-N 1 0 377.710 2.524 20 0 GFADRO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)c1cnn(-c2ccc(Br)cc2)c1 ZINC000923302697 664627834 /nfs/dbraw/zinc/62/78/34/664627834.db2.gz UIMUWUDUHYQTOI-DLBZAZTESA-N 1 0 389.297 2.944 20 0 GFADRO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)c1cnnn1-c1cc(Cl)ccc1Cl ZINC000923315801 664628131 /nfs/dbraw/zinc/62/81/31/664628131.db2.gz MLFVYBGXCGPCDP-QWHCGFSZSA-N 1 0 380.279 2.883 20 0 GFADRO COC(=O)c1cc(Br)c(CN2CCC[C@H]3[NH2+]CC[C@@H]32)cc1OC ZINC000923415575 664630123 /nfs/dbraw/zinc/63/01/23/664630123.db2.gz GRRAYNAIWNLMKZ-CABCVRRESA-N 1 0 383.286 2.571 20 0 GFADRO O=S(=O)(N[C@H]1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)[C@@H]1CCC[NH2+]C1 ZINC000923587725 664634277 /nfs/dbraw/zinc/63/42/77/664634277.db2.gz DBMYLELKXIISSA-VPOLOUISSA-N 1 0 382.370 2.567 20 0 GFADRO O=S(=O)(c1cnc(-c2ccccc2)s1)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000923647069 664634976 /nfs/dbraw/zinc/63/49/76/664634976.db2.gz SYGZENVYYSVRQX-HZPDHXFCSA-N 1 0 377.535 2.820 20 0 GFADRO [NH3+][C@H]1CCO[C@H](C2CCN(S(=O)(=O)c3cscc3C(F)F)CC2)C1 ZINC000923645315 664635027 /nfs/dbraw/zinc/63/50/27/664635027.db2.gz FWVSUYODJZFEOW-AAEUAGOBSA-N 1 0 380.482 2.593 20 0 GFADRO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCN(S(=O)(=O)c3cscc3C(F)F)C2)C1 ZINC000923652768 664635133 /nfs/dbraw/zinc/63/51/33/664635133.db2.gz NTJYZJHGMJARMN-NQBHXWOUSA-N 1 0 380.482 2.593 20 0 GFADRO C[C@H]1CN(S(=O)(=O)c2ccc(C(F)(F)C(F)(F)F)cc2)CC[C@H]1C[NH3+] ZINC000923699811 664636310 /nfs/dbraw/zinc/63/63/10/664636310.db2.gz LSIFOGPLMJPJGM-QWRGUYRKSA-N 1 0 386.386 2.946 20 0 GFADRO [NH3+]C[C@@]1(c2ccccc2)C[C@H](NS(=O)(=O)Cc2ccc(Cl)c(F)c2)C1 ZINC000923742193 664637386 /nfs/dbraw/zinc/63/73/86/664637386.db2.gz YNOONZWTDUYPDD-RHNCMZPLSA-N 1 0 382.888 2.958 20 0 GFADRO C[NH+]1CCC(OCC(=O)OCC(=O)Nc2c(Cl)cccc2Cl)CC1 ZINC000923787492 664637951 /nfs/dbraw/zinc/63/79/51/664637951.db2.gz LVAYTGCXOPWYKE-UHFFFAOYSA-N 1 0 375.252 2.586 20 0 GFADRO Ic1cccc(-c2noc([C@H]3C[N@@H+]4CCC[C@H]4CO3)n2)c1 ZINC000923809439 664638266 /nfs/dbraw/zinc/63/82/66/664638266.db2.gz WYBMIKFQWUJVCU-QWHCGFSZSA-N 1 0 397.216 2.877 20 0 GFADRO C[N@@H+]1CC[C@@H](c2nc(-c3cnn(-c4cccc(Br)c4)c3N)no2)C1 ZINC000924378326 664654428 /nfs/dbraw/zinc/65/44/28/664654428.db2.gz UNJHQMJGLUHCIO-SNVBAGLBSA-N 1 0 389.257 2.686 20 0 GFADRO C[C@@H]([NH2+]CCCN1C(=O)NC2(CCCC2)C1=O)c1cccc(Br)n1 ZINC000924579159 664658539 /nfs/dbraw/zinc/65/85/39/664658539.db2.gz VMLVQCQMRXIUDD-GFCCVEGCSA-N 1 0 395.301 2.749 20 0 GFADRO C[C@@H]([NH2+]C1CCN(CC(=O)Nc2ccccc2)CC1)C1(Br)CC1 ZINC000924623835 664659096 /nfs/dbraw/zinc/65/90/96/664659096.db2.gz SHEYTUBOJRONTM-CQSZACIVSA-N 1 0 380.330 2.995 20 0 GFADRO CN(C)c1cc[nH+]c(CNC(=O)NC[C@@H](O)c2cc(Cl)cc(Cl)c2)c1 ZINC000924662868 664659382 /nfs/dbraw/zinc/65/93/82/664659382.db2.gz RSASUIDBXTUHCJ-MRXNPFEDSA-N 1 0 383.279 2.987 20 0 GFADRO C[C@@H]([NH2+]Cc1cc(Br)cs1)C1CCN(S(C)(=O)=O)CC1 ZINC000924696539 664659678 /nfs/dbraw/zinc/65/96/78/664659678.db2.gz DUXBXCHYEDZAAC-SNVBAGLBSA-N 1 0 381.361 2.660 20 0 GFADRO O=S(=O)(Cc1ccccc1)NCC[NH2+][C@@H]1CCCc2c(Cl)ccnc21 ZINC000924742558 664660685 /nfs/dbraw/zinc/66/06/85/664660685.db2.gz KFWZGYKAZLJFEB-QGZVFWFLSA-N 1 0 379.913 2.822 20 0 GFADRO C[C@@H]([NH2+]Cc1ccc(F)cc1Br)C1CCN(S(C)(=O)=O)CC1 ZINC000924749622 664660834 /nfs/dbraw/zinc/66/08/34/664660834.db2.gz JUKCOFABHRYADI-LLVKDONJSA-N 1 0 393.322 2.738 20 0 GFADRO C[N@@H+]1C[C@@H](O)C[C@H]1CNC(=O)C(C)(C)Sc1ccc(Br)cc1 ZINC000924984145 664664817 /nfs/dbraw/zinc/66/48/17/664664817.db2.gz ODSXOFLXPMMSHS-STQMWFEESA-N 1 0 387.343 2.501 20 0 GFADRO COc1ccc(Br)c(C(=O)NCCC[NH2+]C2[C@H](C)COC[C@H]2C)c1 ZINC000925015436 664665187 /nfs/dbraw/zinc/66/51/87/664665187.db2.gz KPLGPKHRYBGURX-CHWSQXEVSA-N 1 0 399.329 2.838 20 0 GFADRO C[C@@H]([NH2+]C1CCN(CCS(C)(=O)=O)CC1)c1csc(C(F)(F)F)c1 ZINC000925020310 664665357 /nfs/dbraw/zinc/66/53/57/664665357.db2.gz VTGSFBDYLITTMI-LLVKDONJSA-N 1 0 384.489 2.927 20 0 GFADRO Cc1nc2c(o1)CCC[C@@H]2[NH2+]CC1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000925041804 664665981 /nfs/dbraw/zinc/66/59/81/664665981.db2.gz YVNZGPKNHPCQTO-LBPRGKRZSA-N 1 0 381.420 2.512 20 0 GFADRO CC[C@H](C[NH2+][C@H]1C(=O)NCC12CCOCC2)Cc1cccc(Br)c1 ZINC000925095449 664666783 /nfs/dbraw/zinc/66/67/83/664666783.db2.gz KQEKPFDZLMJLRD-YOEHRIQHSA-N 1 0 395.341 2.903 20 0 GFADRO O=C(Nc1nnc(-c2ccsc2)s1)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000925148319 664667502 /nfs/dbraw/zinc/66/75/02/664667502.db2.gz LYUKLUKHOAULSX-RYUDHWBXSA-N 1 0 381.552 2.968 20 0 GFADRO CC[N@@H+]1CC[C@@H](N2C(=O)N[C@H](c3ccc(Br)c(Cl)c3)C2=O)C1 ZINC000925319937 664670528 /nfs/dbraw/zinc/67/05/28/664670528.db2.gz DGUYZCUMLJVCBA-ZWNOBZJWSA-N 1 0 386.677 2.790 20 0 GFADRO CC(C)(C[NH2+][C@@H]1C(=O)NCC12CCOCC2)c1ccccc1Br ZINC000925588296 664673344 /nfs/dbraw/zinc/67/33/44/664673344.db2.gz PLJPRRZBAHESLG-OAHLLOKOSA-N 1 0 381.314 2.612 20 0 GFADRO CC[C@@H](CSc1ccc(Cl)cc1)[NH2+]CC[C@@H]1CNCCS1(=O)=O ZINC000925797080 664675077 /nfs/dbraw/zinc/67/50/77/664675077.db2.gz OXCGQMNVAMQFFF-GOEBONIOSA-N 1 0 376.975 2.577 20 0 GFADRO [NH3+][C@@H]1CC[C@H](CNC(=O)Nc2cc(Br)ccc2-n2cccn2)C1 ZINC000926026738 664679373 /nfs/dbraw/zinc/67/93/73/664679373.db2.gz WDNREOSANKZCLW-WCQYABFASA-N 1 0 378.274 2.884 20 0 GFADRO C[NH2+]CCN(C(=O)Nc1ccc(F)cc1I)C(C)C ZINC000926054174 664680075 /nfs/dbraw/zinc/68/00/75/664680075.db2.gz KQIAUCXZOVFGCU-UHFFFAOYSA-N 1 0 379.217 2.892 20 0 GFADRO C[C@@H]1CN(C(=O)Nc2cccc(F)c2I)C[C@H]1CC[NH3+] ZINC000926079417 664681180 /nfs/dbraw/zinc/68/11/80/664681180.db2.gz CDQBISFZXWVXAH-NXEZZACHSA-N 1 0 391.228 2.879 20 0 GFADRO Cc1nc(NC(=O)N2CC[C@H](C(F)(F)F)[C@@H]([NH3+])C2)ccc1Br ZINC000926091707 664681431 /nfs/dbraw/zinc/68/14/31/664681431.db2.gz QOFMPWPJQWDKGG-WPRPVWTQSA-N 1 0 381.196 2.896 20 0 GFADRO COC(=O)c1cccc(NC(=O)N2C[C@@H](C)[C@H](CC[NH3+])C2)c1Br ZINC000926104166 664681803 /nfs/dbraw/zinc/68/18/03/664681803.db2.gz FDOXFDZEGDEFFZ-GHMZBOCLSA-N 1 0 384.274 2.684 20 0 GFADRO Cc1ccc(C(=O)N[C@@H]2C[C@]3(C[N@@H+](C)[C@H]3C(C)C)C[C@H]2O)c(Br)c1 ZINC000926162654 664683477 /nfs/dbraw/zinc/68/34/77/664683477.db2.gz DMTIBBQWLDQNSF-VXIBKDFQSA-N 1 0 395.341 2.967 20 0 GFADRO Cc1cc(Br)cn2cc(C[NH2+][C@H]3CCOC34CCOCC4)nc12 ZINC000926165258 664683502 /nfs/dbraw/zinc/68/35/02/664683502.db2.gz PVHARAICBSWOFT-HNNXBMFYSA-N 1 0 380.286 2.833 20 0 GFADRO [NH3+][C@@H]1CN(N2CCO[C@H](c3c(F)cccc3Cl)C2)CC[C@H]1C(F)(F)F ZINC000926171330 664683787 /nfs/dbraw/zinc/68/37/87/664683787.db2.gz OZZOUAKDWCUNGR-HONMWMINSA-N 1 0 381.801 2.979 20 0 GFADRO CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NC(=O)c1cc(F)cc(Br)c1)C2 ZINC000926179548 664684153 /nfs/dbraw/zinc/68/41/53/664684153.db2.gz FWELNGAGJXLUCD-YFHUEUNASA-N 1 0 399.304 2.798 20 0 GFADRO Cc1cc(Br)oc1C(=O)N[C@@H]1C[C@@]2(C[N@@H+](C)[C@@H]2C(C)C)C[C@H]1O ZINC000926185576 664684315 /nfs/dbraw/zinc/68/43/15/664684315.db2.gz ZHYJQJARWSWWDU-RYPCIWMOSA-N 1 0 385.302 2.560 20 0 GFADRO CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)c1cc(Br)ccc1F)C2 ZINC000926191290 664684429 /nfs/dbraw/zinc/68/44/29/664684429.db2.gz XJIJUQJXLRZKSC-CBZIJGRNSA-N 1 0 399.304 2.798 20 0 GFADRO CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NC(=O)c3cc(Br)oc3C)C2)[C@H]1C(C)C ZINC000926235502 664684916 /nfs/dbraw/zinc/68/49/16/664684916.db2.gz VUEPWYRHDLWWJK-GZOSKZMVSA-N 1 0 399.329 2.950 20 0 GFADRO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NC(=O)c3ccoc3Br)C2)[C@@H]1C(C)C ZINC000926243028 664685116 /nfs/dbraw/zinc/68/51/16/664685116.db2.gz YWRWXUJXWWLPIR-WVZRYYJFSA-N 1 0 385.302 2.642 20 0 GFADRO COc1cc(Br)cc(CNC(=O)N2CC[C@H]([NH+]3CC=CC3)C2)c1 ZINC000926286286 664686320 /nfs/dbraw/zinc/68/63/20/664686320.db2.gz ZYBDKYDUUVWICD-HNNXBMFYSA-N 1 0 380.286 2.613 20 0 GFADRO COc1cc(Br)cc(CNC(=O)N(C)[C@H]2CC[N@H+](C)C[C@H]2C)c1 ZINC000926288143 664686606 /nfs/dbraw/zinc/68/66/06/664686606.db2.gz ZTRXRHMHCUEBCM-WBMJQRKESA-N 1 0 384.318 2.939 20 0 GFADRO C[C@@H](C[C@H]1CCC(=O)N1)[NH2+]Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000926297380 664687120 /nfs/dbraw/zinc/68/71/20/664687120.db2.gz AQRKQQLDHAHRDL-SWLSCSKDSA-N 1 0 377.286 2.782 20 0 GFADRO Cc1nc2c(o1)CCC[C@@H]2[NH2+]CCCNS(=O)(=O)c1ccccc1Cl ZINC000926350235 664688230 /nfs/dbraw/zinc/68/82/30/664688230.db2.gz FJRXNYIJCZECKO-AWEZNQCLSA-N 1 0 383.901 2.972 20 0 GFADRO CC(C)n1cc([C@H](C)[NH2+]CCCNS(=O)(=O)c2ccccc2Cl)nn1 ZINC000926355407 664688517 /nfs/dbraw/zinc/68/85/17/664688517.db2.gz ZZPRDNRVTSWGQS-ZDUSSCGKSA-N 1 0 385.921 2.532 20 0 GFADRO O=S(=O)(NCC[NH2+][C@@H](C1CC1)[C@@H]1CCCOC1)c1ccc(Cl)cc1F ZINC000926356115 664688605 /nfs/dbraw/zinc/68/86/05/664688605.db2.gz FTUCONKPGMDJHN-DYVFJYSZSA-N 1 0 390.908 2.552 20 0 GFADRO O=S(=O)(NCC[NH2+][C@H](C1CC1)[C@H]1CCCOC1)c1ccc(F)cc1Cl ZINC000926369005 664688984 /nfs/dbraw/zinc/68/89/84/664688984.db2.gz HQIPCFFKVIIGDV-SUMWQHHRSA-N 1 0 390.908 2.552 20 0 GFADRO C[C@H](C[C@@H]1CCC(=O)N1)[NH2+]Cc1c(Br)cncc1Br ZINC000926499714 664690839 /nfs/dbraw/zinc/69/08/39/664690839.db2.gz AVQUGXKPVQTFQP-BDAKNGLRSA-N 1 0 391.107 2.753 20 0 GFADRO Cc1occc1[C@@H](Cc1ccccc1Cl)[NH2+]C[C@]1(O)CCS(=O)(=O)C1 ZINC000926507560 664690999 /nfs/dbraw/zinc/69/09/99/664690999.db2.gz FUCIPFRQRYVCHF-QZTJIDSGSA-N 1 0 383.897 2.664 20 0 GFADRO Cc1occc1[C@H](Cc1ccccc1Cl)[NH2+]C[C@]1(O)CCS(=O)(=O)C1 ZINC000926507562 664691033 /nfs/dbraw/zinc/69/10/33/664691033.db2.gz FUCIPFRQRYVCHF-ZWKOTPCHSA-N 1 0 383.897 2.664 20 0 GFADRO C[C@@H]([NH2+][C@@H]1CCC(=O)N(C2CC2)[C@H]1c1cncn1C)C1(Br)CC1 ZINC000926533081 664691600 /nfs/dbraw/zinc/69/16/00/664691600.db2.gz XZVTYECZZZICLM-AXAPSJFSSA-N 1 0 381.318 2.520 20 0 GFADRO C[C@H]([NH2+][C@H]1CCc2cc(F)c(F)c(F)c21)C1CCN(S(C)(=O)=O)CC1 ZINC000926535250 664691602 /nfs/dbraw/zinc/69/16/02/664691602.db2.gz PDJMUAAZNISHTN-HZMBPMFUSA-N 1 0 376.444 2.741 20 0 GFADRO COc1ccc(C[C@H](CO)C[NH2+][C@H](C)c2ccnnc2)cc1Br ZINC000926543112 664691984 /nfs/dbraw/zinc/69/19/84/664691984.db2.gz VJOOVWKXPASVGI-OCCSQVGLSA-N 1 0 380.286 2.750 20 0 GFADRO COc1ccc(Br)cc1C[C@H](CO)C[NH2+]C1[C@@H](C)COC[C@@H]1C ZINC000926544323 664692169 /nfs/dbraw/zinc/69/21/69/664692169.db2.gz YWPMTXRAJQLPLF-IHRRRGAJSA-N 1 0 386.330 2.869 20 0 GFADRO COc1ccc(Br)cc1C[C@H](CO)C[NH2+][C@@H](C)c1cn(C)cn1 ZINC000926543551 664692171 /nfs/dbraw/zinc/69/21/71/664692171.db2.gz RXKXAVXAKDINDK-STQMWFEESA-N 1 0 382.302 2.693 20 0 GFADRO CC(C)(C)OC(=O)N[C@@H]1C[C@H]([NH2+]CCCCS(C)(=O)=O)CC(C)(C)C1 ZINC000926614276 664694020 /nfs/dbraw/zinc/69/40/20/664694020.db2.gz KRBCDXDMMLJJPZ-LSDHHAIUSA-N 1 0 376.563 2.873 20 0 GFADRO CNC(=O)[C@@H](C[NH2+][C@@H](C)C1(Br)CC1)Cc1ccc(OC)c(F)c1 ZINC000926629415 664694108 /nfs/dbraw/zinc/69/41/08/664694108.db2.gz XCMRPBBNRMBQNC-WCQYABFASA-N 1 0 387.293 2.645 20 0 GFADRO O[C@H]1CCN(CC[NH2+][C@@H](c2ccc(Br)cc2)c2cccnc2)C1 ZINC000926775156 664696522 /nfs/dbraw/zinc/69/65/22/664696522.db2.gz UJEITZQACLWROE-ROUUACIJSA-N 1 0 376.298 2.590 20 0 GFADRO C[C@H](NCc1c(I)cnn1C)c1cccc(C[NH+](C)C)c1 ZINC000926814812 664696937 /nfs/dbraw/zinc/69/69/37/664696937.db2.gz XOWXVGDMWOXSHE-LBPRGKRZSA-N 1 0 398.292 2.937 20 0 GFADRO O=C1NCC2(CCOCC2)[C@@H]1[NH2+]Cc1ccc2ccc(Br)cc2c1 ZINC000926840754 664697584 /nfs/dbraw/zinc/69/75/84/664697584.db2.gz HLICDEWQQTUNEK-QGZVFWFLSA-N 1 0 389.293 2.987 20 0 GFADRO CCO[C@H](CNC(=O)N[C@@H](CCO)c1ccc(Cl)c(Cl)c1)C[NH+](C)C ZINC000926843741 664697670 /nfs/dbraw/zinc/69/76/70/664697670.db2.gz JFZBOFQPVHRLRX-CJNGLKHVSA-N 1 0 392.327 2.683 20 0 GFADRO C[C@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+]CC(C)(C)CS(C)(=O)=O ZINC000926955803 664699486 /nfs/dbraw/zinc/69/94/86/664699486.db2.gz OVKSASZGOTXOHI-GJZGRUSLSA-N 1 0 376.563 2.682 20 0 GFADRO COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]CC(C)(C)CS(C)(=O)=O ZINC000926953812 664699520 /nfs/dbraw/zinc/69/95/20/664699520.db2.gz NSFXQKJWHDUFAX-GFCCVEGCSA-N 1 0 390.933 2.726 20 0 GFADRO CS(=O)(=O)C[C@@H](O)C[NH2+][C@H](c1ccc(Br)cc1Cl)C1CC1 ZINC000927027317 664702467 /nfs/dbraw/zinc/70/24/67/664702467.db2.gz TZJKWTHTTQVSQA-FZMZJTMJSA-N 1 0 396.734 2.549 20 0 GFADRO Cn1cc(CNC(=O)C2CC[NH+](Cc3ccccc3)CC2)c(Br)n1 ZINC000927630601 664712499 /nfs/dbraw/zinc/71/24/99/664712499.db2.gz PASXWHWOLLALBE-UHFFFAOYSA-N 1 0 391.313 2.711 20 0 GFADRO C[C@@H]1CN(C(=O)C(=O)Nc2cc(Cl)ccc2C(F)(F)F)C[C@H]1CC[NH3+] ZINC000927828306 664716285 /nfs/dbraw/zinc/71/62/85/664716285.db2.gz YBYHMNREQLEITL-NXEZZACHSA-N 1 0 377.794 2.741 20 0 GFADRO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(C(F)(F)F)cc2Cl)C[C@H]1CC[NH3+] ZINC000927829148 664716338 /nfs/dbraw/zinc/71/63/38/664716338.db2.gz CVMQJUJBFXQBNN-NXEZZACHSA-N 1 0 377.794 2.741 20 0 GFADRO [NH3+][C@H]1CN(C(=O)C(=O)Nc2cccc(Cl)c2Cl)CC[C@@H]1C(F)(F)F ZINC000927848556 664716829 /nfs/dbraw/zinc/71/68/29/664716829.db2.gz SIWZTYXCJCTTQR-CBAPKCEASA-N 1 0 384.185 2.670 20 0 GFADRO C[C@@H]1CN(C(=O)C(=O)Nc2cc(Cl)ccc2C(F)(F)F)CC[C@@H]1C[NH3+] ZINC000927890326 664717353 /nfs/dbraw/zinc/71/73/53/664717353.db2.gz HEKUNJUETLLKOL-NXEZZACHSA-N 1 0 377.794 2.741 20 0 GFADRO Cc1ccc(-c2csc(NC(=O)C(=O)N3CC[C@H](C[NH3+])[C@@H](C)C3)n2)s1 ZINC000927889148 664717413 /nfs/dbraw/zinc/71/74/13/664717413.db2.gz BQKCSSUMUAGTJT-CMPLNLGQSA-N 1 0 378.523 2.562 20 0 GFADRO COc1c(Cl)cc(NC(=O)C(=O)N2CC[C@@]3(C2)CCCC[NH2+]3)cc1Cl ZINC000927925570 664717853 /nfs/dbraw/zinc/71/78/53/664717853.db2.gz SRHDSRLUNFZFEF-QGZVFWFLSA-N 1 0 386.279 2.685 20 0 GFADRO C[N@H+](CC(=O)N1CCC[C@@H]1c1cncc(Br)c1)[C@@H]1CCSC1 ZINC000928361105 664730850 /nfs/dbraw/zinc/73/08/50/664730850.db2.gz DSTGAOXWCPGHJL-HUUCEWRRSA-N 1 0 384.343 2.945 20 0 GFADRO CC[NH+]1CCN(CCC(=O)N2CCC[C@@H]2c2cncc(Br)c2)CC1 ZINC000928362697 664731215 /nfs/dbraw/zinc/73/12/15/664731215.db2.gz LGXNUQIZNYXOEW-QGZVFWFLSA-N 1 0 395.345 2.535 20 0 GFADRO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)N[C@H]1CC[N@H+](C)[C@H]1C ZINC000928444381 664732541 /nfs/dbraw/zinc/73/25/41/664732541.db2.gz YVKAJWFGXMQQME-GWCFXTLKSA-N 1 0 379.254 2.686 20 0 GFADRO COc1ccc(Br)cc1C(=O)CCC(=O)N[C@H]1CC[N@H+](C)[C@@H]1C ZINC000928458325 664732936 /nfs/dbraw/zinc/73/29/36/664732936.db2.gz WTHCRCCNDUXGQQ-RISCZKNCSA-N 1 0 383.286 2.629 20 0 GFADRO CC[NH+](CC)CCCNC(=O)C[C@H]1C(=O)Nc2c1cccc2Br ZINC000929220058 664748573 /nfs/dbraw/zinc/74/85/73/664748573.db2.gz QLGTWEBJEFRQAL-CYBMUJFWSA-N 1 0 382.302 2.723 20 0 GFADRO COCCOCCOCC[N@H+](C)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000929331765 664750365 /nfs/dbraw/zinc/75/03/65/664750365.db2.gz WBVQPQYVFDYCGC-SJORKVTESA-N 1 0 378.296 2.563 20 0 GFADRO C[NH+](C)CC(C)(C)CNC(=O)C[C@@H]1C(=O)Nc2ccc(Br)cc21 ZINC000929458357 664752706 /nfs/dbraw/zinc/75/27/06/664752706.db2.gz HOGVMHSIOJBFNR-ZDUSSCGKSA-N 1 0 382.302 2.579 20 0 GFADRO O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)C1(n2cc(Br)cn2)CC1 ZINC000929526654 664753695 /nfs/dbraw/zinc/75/36/95/664753695.db2.gz UMNBPOSQYGPNOV-MRXNPFEDSA-N 1 0 389.297 2.525 20 0 GFADRO C[C@@](O)(C[NH2+]C[C@H](c1cccs1)N1CCOCC1)C(F)(F)C(F)(F)F ZINC000929530827 664753776 /nfs/dbraw/zinc/75/37/76/664753776.db2.gz OJBWPMUVLQJPKJ-DGCLKSJQSA-N 1 0 388.402 2.660 20 0 GFADRO C[C@H](c1cccc(S(N)(=O)=O)c1)[N@H+](C)C[C@@H]1CCC[C@@H](C(F)(F)F)O1 ZINC000929963417 664760379 /nfs/dbraw/zinc/76/03/79/664760379.db2.gz JJRUAGSSGLBRTQ-ZLDLUXBVSA-N 1 0 380.432 2.827 20 0 GFADRO CN1CC[NH+](CCCCNC(=O)C/C=C/c2ccc(Br)cc2)CC1 ZINC000930203992 664764438 /nfs/dbraw/zinc/76/44/38/664764438.db2.gz HBXLJJMDWMNWKD-SNAWJCMRSA-N 1 0 394.357 2.996 20 0 GFADRO CC[C@H]([NH2+]C[C@@H]1CCC[C@H](C(F)(F)F)O1)c1cccc(S(N)(=O)=O)c1 ZINC000930216985 664764679 /nfs/dbraw/zinc/76/46/79/664764679.db2.gz QDBUXZDUKJHVGT-AEGPPILISA-N 1 0 380.432 2.875 20 0 GFADRO Cc1nn(C)c(NC(=O)NC[C@@H]2CC[N@@H+]2C)c1-c1ccc(Br)cc1 ZINC000930590583 664773917 /nfs/dbraw/zinc/77/39/17/664773917.db2.gz QZDWTKPSIKHIGV-AWEZNQCLSA-N 1 0 392.301 2.984 20 0 GFADRO C[N@H+](CCNC(=O)c1cnn(Cc2ccccc2)c1Br)C1CC1 ZINC000930651355 664775414 /nfs/dbraw/zinc/77/54/14/664775414.db2.gz VLMQLVLVPWJTEF-UHFFFAOYSA-N 1 0 377.286 2.518 20 0 GFADRO Cc1nc(Br)ccc1NC(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000930686571 664776086 /nfs/dbraw/zinc/77/60/86/664776086.db2.gz KQTZLOAYXOHBMW-CHWSQXEVSA-N 1 0 385.331 2.854 20 0 GFADRO COCC[NH+]1CCC(NC(=O)C(F)(F)c2cccc(Br)c2)CC1 ZINC000930716376 664777053 /nfs/dbraw/zinc/77/70/53/664777053.db2.gz YGEQXORZDQIDOM-UHFFFAOYSA-N 1 0 391.256 2.768 20 0 GFADRO Cc1cccc(C[NH+]2CCC(NC(=O)N3CCOCC3)CC2)c1Br ZINC000930759240 664777725 /nfs/dbraw/zinc/77/77/25/664777725.db2.gz LJZFNJFYVHFQJA-UHFFFAOYSA-N 1 0 396.329 2.764 20 0 GFADRO COc1cc(OC)c(NC(=O)N2CC[C@H]3C[N@H+](C)C[C@H]32)cc1Br ZINC000930976643 664782226 /nfs/dbraw/zinc/78/22/26/664782226.db2.gz SHYLWEDYPZIRFN-GXFFZTMASA-N 1 0 384.274 2.634 20 0 GFADRO C[C@@H]1C[C@H](c2ccc(Br)cc2)C[N@@H+]1C[C@H](O)C[C@@]1(O)CCOC1 ZINC000931268082 664790032 /nfs/dbraw/zinc/79/00/32/664790032.db2.gz YGCYRFLLSIRZSN-SIUPPRGNSA-N 1 0 384.314 2.529 20 0 GFADRO Cc1nc2c(c(=O)[nH]1)CN(CCC(=O)Nc1ccccc1Br)C2 ZINC000931317530 664791208 /nfs/dbraw/zinc/79/12/08/664791208.db2.gz PCAOFSWCFMKYFP-UHFFFAOYSA-N 1 0 377.242 2.598 20 0 GFADRO CNC(=O)c1cccc(NC(=O)NC[C@@H]2CCCC[N@H+](C)C2)c1Br ZINC000931406229 664794093 /nfs/dbraw/zinc/79/40/93/664794093.db2.gz NSIPCRKRBLUETO-LBPRGKRZSA-N 1 0 397.317 2.662 20 0 GFADRO OCCCCC[NH+]1CCN(C[C@@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000931499147 664796487 /nfs/dbraw/zinc/79/64/87/664796487.db2.gz ADDBOZODTYPCHC-MRXNPFEDSA-N 1 0 391.339 2.513 20 0 GFADRO C[C@H](C(=O)Nc1ccccc1Br)N1CC[NH+](CCCCCO)CC1 ZINC000931500551 664796613 /nfs/dbraw/zinc/79/66/13/664796613.db2.gz ONUSYYGDQYSGRQ-OAHLLOKOSA-N 1 0 398.345 2.556 20 0 GFADRO C[C@H](NC(=O)CN1CCc2[nH+]ccc(N)c2C1)c1ccc(Br)cc1 ZINC000931510507 664796926 /nfs/dbraw/zinc/79/69/26/664796926.db2.gz VUHMKEFNCJOMRG-LBPRGKRZSA-N 1 0 389.297 2.662 20 0 GFADRO Cc1nn(C)c(NC(=O)N[C@@H](CC[NH+](C)C)c2cccnc2)c1Br ZINC000931577663 664799487 /nfs/dbraw/zinc/79/94/87/664799487.db2.gz VUQUGQLDMXIVSA-ZDUSSCGKSA-N 1 0 395.305 2.701 20 0 GFADRO COC1(OC)CCOC[C@@H]1[NH2+]CCC(=O)Nc1c(Cl)cccc1Cl ZINC000931671973 664802235 /nfs/dbraw/zinc/80/22/35/664802235.db2.gz RADNPBCTJXMSPN-ZDUSSCGKSA-N 1 0 377.268 2.690 20 0 GFADRO Cc1nc([C@@H]2CC[N@H+](CCC(=O)Nc3ccccc3Br)C2)no1 ZINC000931939473 664807566 /nfs/dbraw/zinc/80/75/66/664807566.db2.gz BPJJBPDKHHHUAY-GFCCVEGCSA-N 1 0 379.258 2.959 20 0 GFADRO O=C(NC[C@H]1CC[N@@H+]1C1CCOCC1)Nc1cccc(Br)c1F ZINC000931949451 664807790 /nfs/dbraw/zinc/80/77/90/664807790.db2.gz BZKLBVGFTUHTJB-GFCCVEGCSA-N 1 0 386.265 2.963 20 0 GFADRO CC(C)S(=O)(=O)CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)OC(C)(C)C)C1 ZINC000931961196 664807985 /nfs/dbraw/zinc/80/79/85/664807985.db2.gz SOKRUQBBEKKHMP-HZPDHXFCSA-N 1 0 376.563 2.682 20 0 GFADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)C/C=C\c1ccc(Br)cc1 ZINC000932185965 664812505 /nfs/dbraw/zinc/81/25/05/664812505.db2.gz IZPIRLGMNXGHBT-JZIMQPMSSA-N 1 0 380.330 2.605 20 0 GFADRO CCNC(=O)c1cc(NC(=O)N[C@H]2CCC[N@@H+]3CCSC[C@H]23)c(C)s1 ZINC000932187232 664812572 /nfs/dbraw/zinc/81/25/72/664812572.db2.gz JGLVCGJVGHIWLY-GXTWGEPZSA-N 1 0 382.555 2.508 20 0 GFADRO CC[N@@H+]1CCCN(C(=O)c2cnn(Cc3ccccc3)c2Br)CC1 ZINC000932354593 664820334 /nfs/dbraw/zinc/82/03/34/664820334.db2.gz VNSHCBVWHXECMO-UHFFFAOYSA-N 1 0 391.313 2.862 20 0 GFADRO CN(C(=O)c1cnnn1-c1cccc(Cl)c1Cl)[C@@H]1C[NH+]2CCC1CC2 ZINC000932540393 664825136 /nfs/dbraw/zinc/82/51/36/664825136.db2.gz WKYRALNXYJZZIQ-OAHLLOKOSA-N 1 0 380.279 2.740 20 0 GFADRO CC(C)c1ncc(Br)c(C(=O)N2CCC(OCC[NH+](C)C)CC2)n1 ZINC000932678300 664831711 /nfs/dbraw/zinc/83/17/11/664831711.db2.gz DCMBUZPJDXRNAO-UHFFFAOYSA-N 1 0 399.333 2.545 20 0 GFADRO CC(C)[C@H](C[NH+](C)C)NC(=O)C[C@@H]1C(=O)Nc2c1cccc2Br ZINC000932714085 664832659 /nfs/dbraw/zinc/83/26/59/664832659.db2.gz XESUWOULLNDNOU-JSGCOSHPSA-N 1 0 382.302 2.577 20 0 GFADRO CCc1ccc(Br)cc1C(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000932714572 664832699 /nfs/dbraw/zinc/83/26/99/664832699.db2.gz LPSIKNAESSEZSH-CQSZACIVSA-N 1 0 382.346 2.625 20 0 GFADRO Cc1c(Br)cc(F)cc1C(=O)NCCCN1CCC[N@@H+](C)CC1 ZINC000932727845 664833998 /nfs/dbraw/zinc/83/39/98/664833998.db2.gz YTAPSNLIEPPOJT-UHFFFAOYSA-N 1 0 386.309 2.654 20 0 GFADRO CC(C)[N@H+](C)CCNC(=O)c1cc(Br)cnc1Br ZINC000932728248 664834064 /nfs/dbraw/zinc/83/40/64/664834064.db2.gz GKXAZEDCYOHXHV-UHFFFAOYSA-N 1 0 379.096 2.677 20 0 GFADRO O=C(CC[N@H+]1CCC[C@](O)(c2ccc(Br)cc2)C1)N1CCCC1 ZINC000932816776 664840084 /nfs/dbraw/zinc/84/00/84/664840084.db2.gz ZFGFGDALJYBOQA-GOSISDBHSA-N 1 0 381.314 2.745 20 0 GFADRO O[C@@H](COc1ccc(Br)cc1)C[NH+]1CCC(O)(C2CCC2)CC1 ZINC000932821929 664840428 /nfs/dbraw/zinc/84/04/28/664840428.db2.gz IAKQQLSNDSCAGQ-MRXNPFEDSA-N 1 0 384.314 2.816 20 0 GFADRO O=C1NC[C@@H](O)CC12CC[NH+](Cc1ccc(Br)c(Cl)c1)CC2 ZINC000932832935 664841385 /nfs/dbraw/zinc/84/13/85/664841385.db2.gz MHSUNLGXCXYAIE-LBPRGKRZSA-N 1 0 387.705 2.566 20 0 GFADRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C[C@@H]1C(=O)Nc2ccc(Br)cc21 ZINC000932907905 664842692 /nfs/dbraw/zinc/84/26/92/664842692.db2.gz LMXZZAJDAMYQPQ-WFASDCNBSA-N 1 0 394.313 2.675 20 0 GFADRO Cc1ccc(NC(=O)c2ncc(Br)cn2)c(OCC[NH+](C)C)c1 ZINC000933274899 664854106 /nfs/dbraw/zinc/85/41/06/664854106.db2.gz IADOAYSZEBNTPP-UHFFFAOYSA-N 1 0 379.258 2.740 20 0 GFADRO CCC1(CC)CNC(=O)[C@H]1[NH2+]CCC(=O)Nc1ccccc1Br ZINC000933286975 664854249 /nfs/dbraw/zinc/85/42/49/664854249.db2.gz MFFVRMIMKXPELI-OAHLLOKOSA-N 1 0 382.302 2.672 20 0 GFADRO C[C@@H]1C[C@H](N(C)C(=O)c2cc3cc(Br)cnc3n2C)CC[N@@H+]1C ZINC000933438700 664864249 /nfs/dbraw/zinc/86/42/49/664864249.db2.gz BQEHZFQXCITFHF-BXUZGUMPSA-N 1 0 379.302 2.891 20 0 GFADRO Cn1nc(C2CC2)nc1C[NH2+][C@](C)(CO)Cc1ccc(Br)cc1 ZINC000933441890 664864656 /nfs/dbraw/zinc/86/46/56/664864656.db2.gz PZSTUMUXGITUSD-KRWDZBQOSA-N 1 0 379.302 2.538 20 0 GFADRO C[C@](CO)(Cc1ccc(Br)cc1)[NH2+]CCC(=O)Nc1cccnc1 ZINC000933442529 664864871 /nfs/dbraw/zinc/86/48/71/664864871.db2.gz SLJBFMPVFRYTQD-GOSISDBHSA-N 1 0 392.297 2.756 20 0 GFADRO O=S1(=O)C[C@H]2C[N@H+](CCCCOc3ccc(Br)cc3)C[C@H]2C1 ZINC000933719940 664873991 /nfs/dbraw/zinc/87/39/91/664873991.db2.gz MDVADFLKZPIOLD-OKILXGFUSA-N 1 0 388.327 2.585 20 0 GFADRO CC[N@H+](C)C[C@H]1CCN(C(=O)C[C@@H]2C(=O)Nc3ccc(Br)cc32)C1 ZINC000933799175 664878373 /nfs/dbraw/zinc/87/83/73/664878373.db2.gz WPYDJYDWVAVBJX-DOMZBBRYSA-N 1 0 394.313 2.675 20 0 GFADRO Cn1cc([C@@H]2CSCCC[N@@H+]2C[C@@H](O)COc2ccccc2Cl)cn1 ZINC000933979742 664883551 /nfs/dbraw/zinc/88/35/51/664883551.db2.gz ZODPRSLTCXZWEZ-WBVHZDCISA-N 1 0 381.929 2.993 20 0 GFADRO CC[N@@H+]1CC[C@@H]1CNC(=O)Nc1ccc(OCCOC)c(Br)c1 ZINC000933989209 664885542 /nfs/dbraw/zinc/88/55/42/664885542.db2.gz MCUKSSAAHLEHBS-CYBMUJFWSA-N 1 0 386.290 2.690 20 0 GFADRO COCCOc1ccc(NC(=O)N[C@H]2CC[N@H+](C)[C@@H]2C)cc1Br ZINC000933991965 664886046 /nfs/dbraw/zinc/88/60/46/664886046.db2.gz VDOVROICJHMCLW-RISCZKNCSA-N 1 0 386.290 2.688 20 0 GFADRO CCc1ccc(Br)cc1C(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000934164872 664891403 /nfs/dbraw/zinc/89/14/03/664891403.db2.gz KQRLIMPVRRUHOU-UHFFFAOYSA-N 1 0 382.346 2.767 20 0 GFADRO COCCN(CC1CC[NH+](C)CC1)C(=O)Nc1cncc(Br)c1C ZINC000934279303 664897663 /nfs/dbraw/zinc/89/76/63/664897663.db2.gz MHZXAKYREOWVKI-UHFFFAOYSA-N 1 0 399.333 2.975 20 0 GFADRO Cc1ccc(Br)c(C(=O)NCCCC[NH+]2C[C@@H](C)O[C@H](C)C2)n1 ZINC000934308693 664898404 /nfs/dbraw/zinc/89/84/04/664898404.db2.gz MUJQPPCXBOMQHM-ZIAGYGMSSA-N 1 0 384.318 2.772 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)c2cc(Br)c3nccnc3c2)C[N@@H+]1C1CC1 ZINC000934397795 664905261 /nfs/dbraw/zinc/90/52/61/664905261.db2.gz QCURBCIBXZEKMA-ZYHUDNBSSA-N 1 0 375.270 2.747 20 0 GFADRO O=S(=O)(CC[NH2+][C@@H]1CCOC12CCCC2)c1ccc(Br)cc1 ZINC000934399190 664905521 /nfs/dbraw/zinc/90/55/21/664905521.db2.gz HHZDMHQOZWBVGA-OAHLLOKOSA-N 1 0 388.327 2.914 20 0 GFADRO COC(=O)c1ccc(C[NH2+][C@H]2CCOC23CCOCC3)c(Br)c1 ZINC000934400875 664905606 /nfs/dbraw/zinc/90/56/06/664905606.db2.gz FARRFIUKONSFDZ-HNNXBMFYSA-N 1 0 384.270 2.663 20 0 GFADRO CCN(CC(F)(F)F)C(=O)C[NH2+][C@](C)(CO)c1cccc(Br)c1 ZINC000934495353 664908656 /nfs/dbraw/zinc/90/86/56/664908656.db2.gz NZRCSAXJWLRROC-CQSZACIVSA-N 1 0 397.235 2.657 20 0 GFADRO C[NH+](C)C[C@H]1CN(C(=O)c2ccc(Br)[nH]c2=O)c2ccccc2O1 ZINC000934734556 664916185 /nfs/dbraw/zinc/91/61/85/664916185.db2.gz GHBUAWPZEMHKLH-NSHDSACASA-N 1 0 392.253 2.519 20 0 GFADRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C2(n3cc(Br)cn3)CC2)C1 ZINC000935001667 664933222 /nfs/dbraw/zinc/93/32/22/664933222.db2.gz LTTCZBNINMTNLQ-CQSZACIVSA-N 1 0 383.334 2.619 20 0 GFADRO C[NH+](C)[C@H]1CCCN(C(=O)c2cc(Br)c3nccnc3c2)CC1 ZINC000935652408 664978202 /nfs/dbraw/zinc/97/82/02/664978202.db2.gz PIARFFAWMGMEKQ-ZDUSSCGKSA-N 1 0 377.286 2.949 20 0 GFADRO C[NH+](C)C[C@]1(O)CCCN(C(=O)c2nccc3c(Br)cccc32)C1 ZINC000935680325 664980843 /nfs/dbraw/zinc/98/08/43/664980843.db2.gz PHSFLPTUHYLUSX-GOSISDBHSA-N 1 0 392.297 2.526 20 0 GFADRO CC[C@@H]1C[N@H+](C)CCCN1C(=O)C[C@H]1C(=O)Nc2c1cccc2Br ZINC000935774424 664987831 /nfs/dbraw/zinc/98/78/31/664987831.db2.gz HCLAXPNYZCVOQB-TZMCWYRMSA-N 1 0 394.313 2.818 20 0 GFADRO CC[NH+](CC)CC[C@H](CO)NC(=O)c1cc(Br)cnc1C1CC1 ZINC000935780252 664988324 /nfs/dbraw/zinc/98/83/24/664988324.db2.gz JMDWZHGMQRABGM-CQSZACIVSA-N 1 0 384.318 2.544 20 0 GFADRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1ccc2c(Br)cnn2c1 ZINC000935940652 665000199 /nfs/dbraw/zinc/00/01/99/665000199.db2.gz PHBRIUNSCUDKNH-GXTWGEPZSA-N 1 0 377.286 2.796 20 0 GFADRO O=C([C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)N1CCCC[C@H]1C[NH2+]Cc1cnc(Cl)s1 ZINC000960065866 665014178 /nfs/dbraw/zinc/01/41/78/665014178.db2.gz GLFCEQZUMGUBPP-JWTRZGPZSA-N 1 0 381.929 2.691 20 0 GFADRO C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)c2ccsc2Cl)CC[N@@H+]1C ZINC000997006012 665034454 /nfs/dbraw/zinc/03/44/54/665034454.db2.gz AKSOYEHBTIBQGX-FPVZYODXSA-N 1 0 381.929 2.603 20 0 GFADRO C[C@H]1CC[N@H+](CC(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2cscc2Cl)C3)C1 ZINC000997468073 665036469 /nfs/dbraw/zinc/03/64/69/665036469.db2.gz OZJAQETVSSVRGD-VZAMPYOESA-N 1 0 381.929 2.605 20 0 GFADRO C[N@@H+]1CCCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(Cl)cs1)C2 ZINC001002615048 665055684 /nfs/dbraw/zinc/05/56/84/665055684.db2.gz NQUQNZVSAIJNMI-KBXIAJHMSA-N 1 0 381.929 2.748 20 0 GFADRO C[NH+](C)[C@H](C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(Cl)cs1)C2)C1CC1 ZINC001002615792 665055988 /nfs/dbraw/zinc/05/59/88/665055988.db2.gz VPCOBIVKFMQLOG-NYTXWWLZSA-N 1 0 381.929 2.603 20 0 GFADRO C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1sccc1Cl ZINC001003861742 665062341 /nfs/dbraw/zinc/06/23/41/665062341.db2.gz CZZWWVXMOVUPQN-RZFFKMDDSA-N 1 0 381.929 2.748 20 0 GFADRO C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cc(Cl)cs1 ZINC001003867355 665062476 /nfs/dbraw/zinc/06/24/76/665062476.db2.gz NGSMJSLLQXCJIY-APIJFGDWSA-N 1 0 381.929 2.748 20 0 GFADRO C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2ccsc2Cl)C1 ZINC001004362723 665063992 /nfs/dbraw/zinc/06/39/92/665063992.db2.gz VJTJWMSSSUHEOM-GBOPCIDUSA-N 1 0 381.929 2.605 20 0 GFADRO C[NH+]1CCC(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ccc(Cl)s2)C3)CC1 ZINC001006406248 665070526 /nfs/dbraw/zinc/07/05/26/665070526.db2.gz XMMDIODEZNYNEB-MCIONIFRSA-N 1 0 381.929 2.605 20 0 GFADRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2cccc(Br)c2)C1)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001022455130 665073864 /nfs/dbraw/zinc/07/38/64/665073864.db2.gz IFYNJIKPIGIGCI-QSAAJNHFSA-N 1 0 391.309 2.609 20 0 GFADRO O=C(N[C@H]1CC[C@H]([NH2+]Cc2cnc(Cl)s2)CC1)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001034696004 665075520 /nfs/dbraw/zinc/07/55/20/665075520.db2.gz KESCEOGDSGSLPN-ZFRLAYEQSA-N 1 0 381.929 2.737 20 0 GFADRO COCC[N@H+](C)CCNC(=O)c1cc(C(F)(F)F)ccc1Br ZINC000120519285 677396932 /nfs/dbraw/zinc/39/69/32/677396932.db2.gz QOHBBBDZBJPOLI-UHFFFAOYSA-N 1 0 383.208 2.776 20 0 GFADRO C[C@H](O)[C@H]1CCC[N@H+](CC(=O)N(C)Cc2cc(Br)cs2)C1 ZINC000120726862 677397772 /nfs/dbraw/zinc/39/77/72/677397772.db2.gz QUPOZPYCGLTNRE-RYUDHWBXSA-N 1 0 375.332 2.562 20 0 GFADRO CCCS(=O)(=O)Nc1ccc(NC(=S)NC[C@@H]2CCC[N@@H+]2CC)cc1 ZINC000139725060 677401555 /nfs/dbraw/zinc/40/15/55/677401555.db2.gz WWUYJIZEAFAGND-INIZCTEOSA-N 1 0 384.571 2.609 20 0 GFADRO O=S(=O)(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cnc(Cl)c(F)c1 ZINC000381158290 677406024 /nfs/dbraw/zinc/40/60/24/677406024.db2.gz FJRPCFHCDMDVBG-CQSZACIVSA-N 1 0 383.876 2.675 20 0 GFADRO FC(F)(c1cc(-c2cccs2)nnc1Cl)N1CC[C@@H]2[NH2+]CCO[C@@H]2C1 ZINC001164390313 718825059 /nfs/dbraw/zinc/82/50/59/718825059.db2.gz NVIKBUJSIBOVKV-WCQYABFASA-N 1 0 386.855 2.971 20 0 GFADRO FC(F)(c1cc(Cl)nc(-c2cccnc2)n1)N1CCO[C@@H]2C[NH2+]CC[C@H]2C1 ZINC001164409908 718863997 /nfs/dbraw/zinc/86/39/97/718863997.db2.gz VHNLTOPRLMHSKM-UONOGXRCSA-N 1 0 395.841 2.552 20 0 GFADRO CC(C)C[NH+]1CCN(c2cc(N3CCN(c4ccccc4F)CC3)ncn2)CC1 ZINC001164657412 719338068 /nfs/dbraw/zinc/33/80/68/719338068.db2.gz KOHRDVGXFWJUQW-UHFFFAOYSA-N 1 0 398.530 2.720 20 0 GFADRO C[N@@H+]1CCO[C@@H]2CN(c3nc(-c4cccnc4)nc4sc5c(c43)CCC5)C[C@H]21 ZINC000301671653 719444404 /nfs/dbraw/zinc/44/44/04/719444404.db2.gz QPYPJXTWPHTTPM-HZPDHXFCSA-N 1 0 393.516 2.761 20 0 GFADRO CC(C)N(C)Cc1nn(-c2nc(C(C)(C)C)nc3[nH]ccc32)c2c1CC[NH2+]C2 ZINC001164679722 719634776 /nfs/dbraw/zinc/63/47/76/719634776.db2.gz KIFMWTFJIQTWQN-UHFFFAOYSA-N 1 0 381.528 2.927 20 0 GFADRO COc1cc(C)c2ncnc(-n3nc(CN(C)C(C)C)c4c3C[NH2+]CC4)c2c1 ZINC001164685183 719654009 /nfs/dbraw/zinc/65/40/09/719654009.db2.gz YLHNAJSKVFVHLG-UHFFFAOYSA-N 1 0 380.496 2.618 20 0 GFADRO CC(=O)Nc1cccc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)n1 ZINC001164697590 719892417 /nfs/dbraw/zinc/89/24/17/719892417.db2.gz LPXILTCZIAZCFZ-UHFFFAOYSA-N 1 0 386.521 2.973 20 0 GFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ncccc1C(=O)N1CCCC1)C2 ZINC001164813094 720067859 /nfs/dbraw/zinc/06/78/59/720067859.db2.gz SKTWTZNDVSOUJJ-CVDCTZTESA-N 1 0 398.551 2.502 20 0 GFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ccc(N3CCCCC3)nn1)C2 ZINC001164812232 720068943 /nfs/dbraw/zinc/06/89/43/720068943.db2.gz PYDCDBMTOCYCAR-SIKLNZKXSA-N 1 0 385.556 2.652 20 0 GFADRO CCOC(=O)c1ccc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COC)nc1C ZINC001164815354 720069297 /nfs/dbraw/zinc/06/92/97/720069297.db2.gz YOIPPTIYLPUOJX-GCJKJVERSA-N 1 0 387.524 2.751 20 0 GFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(Cl)nc3[nH]cc(F)c31)C2 ZINC001164811359 720070338 /nfs/dbraw/zinc/07/03/38/720070338.db2.gz OADUBNBXORIBPS-BFUOFWGJSA-N 1 0 393.894 2.935 20 0 GFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cc(C(=O)OC)c(Cl)cn1)C2 ZINC001164809209 720076985 /nfs/dbraw/zinc/07/69/85/720076985.db2.gz IYFIWZKQWCUCQO-YWZLYKJASA-N 1 0 393.915 2.706 20 0 GFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1cnc(Cl)cn1)C2 ZINC001164814178 720077748 /nfs/dbraw/zinc/07/77/48/720077748.db2.gz VTELHAJPFBDJLO-WMLDXEAASA-N 1 0 386.874 2.860 20 0 GFADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncccc1OC)CC2 ZINC001164710253 720102725 /nfs/dbraw/zinc/10/27/25/720102725.db2.gz HZMQVJFHNDZKFU-LJQANCHMSA-N 1 0 382.508 2.993 20 0 GFADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncnc(C)c1C)CC2 ZINC001164718550 720111989 /nfs/dbraw/zinc/11/19/89/720111989.db2.gz SAUTVVHFEYIRPB-FQEVSTJZSA-N 1 0 381.524 2.996 20 0 GFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1c(C)nc(Cl)nc1OC)C2 ZINC001164807383 720116010 /nfs/dbraw/zinc/11/60/10/720116010.db2.gz CDJXTYBLPAJITI-HNAYVOBHSA-N 1 0 380.920 2.632 20 0 GFADRO COCc1ccc(N2CCC3(C[C@H](COC)[N@@H+](Cc4ccccn4)C3)CC2)nn1 ZINC001164713905 720154019 /nfs/dbraw/zinc/15/40/19/720154019.db2.gz UDNQWOLGHFYSPL-HXUWFJFHSA-N 1 0 397.523 2.526 20 0 GFADRO COc1cc(Cl)cc(N2CCCn3c(=O)cc(C[N@H+](C)C(C)C)nc3C2)n1 ZINC001164812839 720221921 /nfs/dbraw/zinc/22/19/21/720221921.db2.gz JNLAZEKHVHKKGI-UHFFFAOYSA-N 1 0 391.903 2.551 20 0 GFADRO Cc1nc(CN2C(=O)CC[C@H]3[C@H]2CCN3c2cc(C[NH+](C)C)ccn2)cs1 ZINC001164817456 720259443 /nfs/dbraw/zinc/25/94/43/720259443.db2.gz RILZWHZMGVTGEQ-ZWKOTPCHSA-N 1 0 385.537 2.678 20 0 GFADRO Cc1nc(Cl)nc(N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c1C ZINC001164817854 720285973 /nfs/dbraw/zinc/28/59/73/720285973.db2.gz GGKZIOTVBXICFI-IAGOWNOFSA-N 1 0 391.947 2.658 20 0 GFADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2ncc3ccccc3n2)CC1 ZINC001164818023 720286203 /nfs/dbraw/zinc/28/62/03/720286203.db2.gz HKTBDFKHQJGUAX-UXHICEINSA-N 1 0 379.508 2.541 20 0 GFADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2cnc3ccc(F)cc3n2)CC1 ZINC001164823162 720313241 /nfs/dbraw/zinc/31/32/41/720313241.db2.gz PBFIKXXJRVVJBX-UXHICEINSA-N 1 0 397.498 2.680 20 0 GFADRO Cc1nc(N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc2ccccc12 ZINC001164819990 720314009 /nfs/dbraw/zinc/31/40/09/720314009.db2.gz FWTZGRSZNPUVGK-RTWAWAEBSA-N 1 0 393.535 2.850 20 0 GFADRO Cc1cccc2ncnc(N3CC[C@@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)c12 ZINC001164832908 720320850 /nfs/dbraw/zinc/32/08/50/720320850.db2.gz UTUPRIHTAIVHQO-VQTJNVASSA-N 1 0 393.535 2.850 20 0 GFADRO CC(C)Oc1cccc(N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164832888 720323724 /nfs/dbraw/zinc/32/37/24/720323724.db2.gz URPZMMNPXDIALG-MOPGFXCFSA-N 1 0 386.540 2.780 20 0 GFADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2nccc3cnccc32)CC1 ZINC001164832896 720327453 /nfs/dbraw/zinc/32/74/53/720327453.db2.gz URSIMPPPIWPSQA-PMACEKPBSA-N 1 0 379.508 2.541 20 0 GFADRO CCOC(=O)c1cnc(Cl)nc1N1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164726045 720333029 /nfs/dbraw/zinc/33/30/29/720333029.db2.gz PJRUOXYDQNVPMO-HOTGVXAUSA-N 1 0 387.871 2.555 20 0 GFADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2ccc3ncc(F)cc3n2)CC1 ZINC001164823966 720333381 /nfs/dbraw/zinc/33/33/81/720333381.db2.gz CGSKXTFCMXSRQC-UXHICEINSA-N 1 0 397.498 2.680 20 0 GFADRO Cc1nnc(N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c2ccccc12 ZINC001164821720 720336830 /nfs/dbraw/zinc/33/68/30/720336830.db2.gz BOERERHGTQRADH-RTWAWAEBSA-N 1 0 393.535 2.850 20 0 GFADRO COC(=O)c1ccc2ncnc(N3CC[C@@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)c2c1 ZINC001164725166 720347055 /nfs/dbraw/zinc/34/70/55/720347055.db2.gz MBHGNKFZGSLGMA-UXHICEINSA-N 1 0 389.459 2.665 20 0 GFADRO CCOC(=O)c1cnc(C2CC2)nc1N1CC[C@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164728302 720383200 /nfs/dbraw/zinc/38/32/00/720383200.db2.gz SVOHFFVKCJAJEA-RBUKOAKNSA-N 1 0 393.491 2.779 20 0 GFADRO O=C(c1ccnc(N2CC[C@@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)c1)N1CCCC1 ZINC001164727615 720413004 /nfs/dbraw/zinc/41/30/04/720413004.db2.gz DSSMCGGUYLRBFR-UXHICEINSA-N 1 0 377.492 2.566 20 0 GFADRO COC(=O)CSc1cccc(N2CC[C@@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)n1 ZINC001164732003 720422121 /nfs/dbraw/zinc/42/21/21/720422121.db2.gz MTILVGZMUFNQIK-SJORKVTESA-N 1 0 384.505 2.595 20 0 GFADRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(C(F)(F)c2cnc(Cl)nc2Cl)C1 ZINC001164729183 720506323 /nfs/dbraw/zinc/50/63/23/720506323.db2.gz ICUWDPMBIFBCDF-SNVBAGLBSA-N 1 0 391.253 2.723 20 0 GFADRO CCOC(=O)c1c(C)nc(Cl)cc1N1Cc2nccn2C[C@@H](C[NH+](C)C)C1 ZINC001164733236 720511578 /nfs/dbraw/zinc/51/15/78/720511578.db2.gz YQRJHQHVKXVGSY-CQSZACIVSA-N 1 0 391.903 2.615 20 0 GFADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ncnc4c3CCCC4)CC[C@@H]21 ZINC001164840855 720534877 /nfs/dbraw/zinc/53/48/77/720534877.db2.gz UGXVLBCUILPCQJ-LQWHRVPQSA-N 1 0 380.540 2.930 20 0 GFADRO COCOc1ccc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)nc1 ZINC001164842084 720549896 /nfs/dbraw/zinc/54/98/96/720549896.db2.gz WIWPPRHDEJHPQE-WSTZPKSXSA-N 1 0 385.512 2.639 20 0 GFADRO CN(C)c1ccc(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)nn1 ZINC001164841073 720664882 /nfs/dbraw/zinc/66/48/82/720664882.db2.gz PDHWZQCHPUETQF-LJQANCHMSA-N 1 0 381.524 2.803 20 0 GFADRO CSc1cc(Cl)cnc1N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164741095 720749881 /nfs/dbraw/zinc/74/98/81/720749881.db2.gz MCMFNTXEDBCGEW-KGLIPLIRSA-N 1 0 377.901 2.589 20 0 GFADRO Cc1c[nH]c2nc(Cl)cc(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)c12 ZINC001164741015 720751667 /nfs/dbraw/zinc/75/16/67/720751667.db2.gz LWCIJKMSWIJIRS-ZIAGYGMSSA-N 1 0 384.871 2.657 20 0 GFADRO FC(F)c1nc2ccccc2c(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)n1 ZINC001164738187 720775889 /nfs/dbraw/zinc/77/58/89/720775889.db2.gz DYMUYPGQKABXRM-KBPBESRZSA-N 1 0 398.417 2.699 20 0 GFADRO COCC[N@@H+]1CCO[C@H]2CN(c3nnc(Cl)c4cccc(C)c43)CC[C@H]2C1 ZINC001164853548 720852985 /nfs/dbraw/zinc/85/29/85/720852985.db2.gz HFSFJMKGKBRPHH-RDJZCZTQSA-N 1 0 390.915 2.765 20 0 GFADRO Cc1cc(C(C)C)nc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164746909 720858373 /nfs/dbraw/zinc/85/83/73/720858373.db2.gz HEXAHFGUTFRADP-QKNQBKEWSA-N 1 0 395.555 2.879 20 0 GFADRO COCC[N@@H+]1CCO[C@H]2CN(c3cc(C)nc(-c4cccs4)n3)CC[C@@H]2C1 ZINC001164858604 720881198 /nfs/dbraw/zinc/88/11/98/720881198.db2.gz LHXXNHJDEKEMFE-SJORKVTESA-N 1 0 388.537 2.687 20 0 GFADRO C[NH+](C)Cc1ccnc(N2CCC3(C2)CCN(C(=O)c2cccnc2)CC3)c1 ZINC001164859379 720894762 /nfs/dbraw/zinc/89/47/62/720894762.db2.gz PDVXKYJBEKTBCF-UHFFFAOYSA-N 1 0 379.508 2.671 20 0 GFADRO COC(=O)c1cnc(Cl)nc1N1CCn2c(C[N@H+](C)C(C)C)cnc2[C@@H]1C ZINC001164860744 720925964 /nfs/dbraw/zinc/92/59/64/720925964.db2.gz SOLIIDAQOKAUFE-LBPRGKRZSA-N 1 0 392.891 2.535 20 0 GFADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1nc(Cl)c(F)cc1C(N)=O)[C@H]2C ZINC001164857669 720942159 /nfs/dbraw/zinc/94/21/59/720942159.db2.gz GXQXYTJMYBMWEM-NSHDSACASA-N 1 0 394.882 2.591 20 0 GFADRO CCOC(=O)c1cnc(C)nc1N1CCn2c(C[N@H+](C)C(C)C)cnc2[C@H]1C ZINC001164863194 720945391 /nfs/dbraw/zinc/94/53/91/720945391.db2.gz YPCCXNVFROTTDX-CQSZACIVSA-N 1 0 386.500 2.580 20 0 GFADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1nc(Cl)cc3c1CNC3=O)[C@H]2C ZINC001164859002 720973966 /nfs/dbraw/zinc/97/39/66/720973966.db2.gz KDRMOSDWGVAEKD-LBPRGKRZSA-N 1 0 388.903 2.596 20 0 GFADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1ncnc3c1ncn3C1CC1)[C@H]2C ZINC001164858067 721005942 /nfs/dbraw/zinc/00/59/42/721005942.db2.gz GRCLVPKOIZBBSI-AWEZNQCLSA-N 1 0 380.500 2.779 20 0 GFADRO Cc1nc2ccsc2c(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164871491 721042163 /nfs/dbraw/zinc/04/21/63/721042163.db2.gz ZDZLDKHHFARPTP-SJORKVTESA-N 1 0 381.505 2.874 20 0 GFADRO COc1ccc2ncnc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)c2c1 ZINC001164867148 721063124 /nfs/dbraw/zinc/06/31/24/721063124.db2.gz INGKASYCTJPOPO-HKUYNNGSSA-N 1 0 391.475 2.513 20 0 GFADRO Clc1nc2cccnc2c(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164866107 721064491 /nfs/dbraw/zinc/06/44/91/721064491.db2.gz CUJYRGIWYGOTSW-HZPDHXFCSA-N 1 0 396.882 2.553 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(C(F)(F)c4ccc(Cl)nc4)C[C@H]3C2)cn1 ZINC001164761567 721069453 /nfs/dbraw/zinc/06/94/53/721069453.db2.gz BVTCCRXVZMEAHD-LSDHHAIUSA-N 1 0 381.858 2.972 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4ncnc5ccc(Cl)cc54)C[C@@H]3C2)cn1 ZINC001164771263 721091508 /nfs/dbraw/zinc/09/15/08/721091508.db2.gz RXDBKVLJRVUZIZ-CVEARBPZSA-N 1 0 382.899 2.975 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4ccc5cc(Cl)cnc5n4)C[C@@H]3C2)cn1 ZINC001164773992 721117540 /nfs/dbraw/zinc/11/75/40/721117540.db2.gz ZQUGRPIZABZEEP-SJORKVTESA-N 1 0 382.899 2.975 20 0 GFADRO Cc1csc2cnc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)nc12 ZINC001164870243 721130118 /nfs/dbraw/zinc/13/01/18/721130118.db2.gz CAFOZRGSWMRQGP-SJORKVTESA-N 1 0 381.505 2.874 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4ccc(C(=O)OC(C)(C)C)cn4)C[C@H]3C2)cn1 ZINC001164764766 721131206 /nfs/dbraw/zinc/13/12/06/721131206.db2.gz HWMZQBSZMIYSBV-RBUKOAKNSA-N 1 0 397.523 2.729 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(C(F)(F)c4cc(N)cc(Cl)n4)C[C@@H]3C2)cn1 ZINC001164762720 721151233 /nfs/dbraw/zinc/15/12/33/721151233.db2.gz DJYYDGHCIYJQDN-KGLIPLIRSA-N 1 0 396.873 2.554 20 0 GFADRO Cc1nc(C)c(N2CC[C@@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)c(Cl)n1 ZINC001164891478 721404974 /nfs/dbraw/zinc/40/49/74/721404974.db2.gz WKCCFHLAOAWMAS-FXAWDEMLSA-N 1 0 393.963 2.512 20 0 GFADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN([C@H](F)c4ccnc(Cl)c4)C3)O2)CC1 ZINC001164884601 721410449 /nfs/dbraw/zinc/41/04/49/721410449.db2.gz FCNZFSXLTYOBDN-IHPCNDPISA-N 1 0 396.938 2.964 20 0 GFADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncnc3cc[nH]c31)CC2 ZINC001164790577 721450700 /nfs/dbraw/zinc/45/07/00/721450700.db2.gz ZSPDXLXCAKTJNR-GOSISDBHSA-N 1 0 399.539 2.692 20 0 GFADRO CC(C)C(=O)N1CC[C@H]2CN(c3cccc(OCC[NH+]4CCCC4)n3)CC[C@@H]21 ZINC001164891670 721464997 /nfs/dbraw/zinc/46/49/97/721464997.db2.gz NGPZBLHJTVJFFI-OALUTQOASA-N 1 0 386.540 2.639 20 0 GFADRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2nccc4cccc(Cl)c42)CC3)CC1 ZINC001164798468 721514528 /nfs/dbraw/zinc/51/45/28/721514528.db2.gz UUXVFDCPTGVZMB-UHFFFAOYSA-N 1 0 396.926 2.852 20 0 GFADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)nc3cc[nH]c32)[C@@H]2CCCO[C@H]12 ZINC001164794400 721524135 /nfs/dbraw/zinc/52/41/35/721524135.db2.gz CVFUCVWBYURYRN-NUJGCVRESA-N 1 0 398.898 2.875 20 0 GFADRO COC(=O)c1c(C)cc(C)nc1N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164912320 721532234 /nfs/dbraw/zinc/53/22/34/721532234.db2.gz YVWHAJLIZSYAFC-HKUYNNGSSA-N 1 0 399.466 2.966 20 0 GFADRO CN(C)c1cc(Cl)nc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)n1 ZINC001164905867 721537563 /nfs/dbraw/zinc/53/75/63/721537563.db2.gz JKEXJGQZAOAPKA-HOCLYGCPSA-N 1 0 391.878 2.677 20 0 GFADRO Cc1noc(-c2cccnc2N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)n1 ZINC001164903147 721553977 /nfs/dbraw/zinc/55/39/77/721553977.db2.gz BAJVOMPDIZJPLU-FUHWJXTLSA-N 1 0 395.438 2.921 20 0 GFADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cc(-c3ncc[nH]3)ccn2)[C@@H]2CCCO[C@H]12 ZINC001164798169 721568797 /nfs/dbraw/zinc/56/87/97/721568797.db2.gz ANFYVGOPFGWLPN-SBHAEUEKSA-N 1 0 390.491 2.735 20 0 GFADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3CN(CCOC)C(=O)[C@H]3C2)nc1 ZINC001164900897 721576024 /nfs/dbraw/zinc/57/60/24/721576024.db2.gz AXCNMEPHCPRFRM-SLFFLAALSA-N 1 0 386.540 2.560 20 0 GFADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2nc(C(C)(C)C)nc3[nH]ccc32)CC1 ZINC001165011031 721743695 /nfs/dbraw/zinc/74/36/95/721743695.db2.gz SMUAVOKWZAZZBK-UHFFFAOYSA-N 1 0 398.555 2.778 20 0 GFADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2cc(-c3ccccc3)ncn2)CC1 ZINC001165010263 721744193 /nfs/dbraw/zinc/74/41/93/721744193.db2.gz LABFAPBNUGGHIU-UHFFFAOYSA-N 1 0 379.508 2.667 20 0 GFADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2ccnc(Cc3ccccc3)n2)CC1 ZINC001165012805 721746728 /nfs/dbraw/zinc/74/67/28/721746728.db2.gz NVYSEKRJSHRUAY-UHFFFAOYSA-N 1 0 393.535 2.590 20 0 GFADRO CCCSc1cncc(N2CCCC23CC[NH+](CC(=O)N(C)C)CC3)n1 ZINC001165011394 721747225 /nfs/dbraw/zinc/74/72/25/721747225.db2.gz WEAHJFYITXAZPZ-UHFFFAOYSA-N 1 0 377.558 2.502 20 0 GFADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc(C(N)=O)cc(Cl)n3)C[C@@H]21 ZINC001165018572 721801686 /nfs/dbraw/zinc/80/16/86/721801686.db2.gz BIYGROCVFRRNQF-JCGIZDLHSA-N 1 0 399.926 2.966 20 0 GFADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ncc(Cl)cc3C(N)=O)C[C@@H]21 ZINC001165026367 721802869 /nfs/dbraw/zinc/80/28/69/721802869.db2.gz QZESLTBIJGMPCJ-MDASCCDHSA-N 1 0 399.926 2.966 20 0 GFADRO COc1nc(Cl)nc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)n1 ZINC001165023926 721806548 /nfs/dbraw/zinc/80/65/48/721806548.db2.gz KBHKUHNWMRICSA-BPUTZDHNSA-N 1 0 388.903 2.666 20 0 GFADRO CCOC(=O)c1cc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)ncn1 ZINC001165017792 721807412 /nfs/dbraw/zinc/80/74/12/721807412.db2.gz AQUXSZBMSIMENT-XKGZKEIXSA-N 1 0 395.507 2.785 20 0 GFADRO c1cncc(O[C@@H]2CO[C@]3(CCN(c4ncccc4C[NH+]4CCCC4)C3)C2)c1 ZINC001164914588 721807700 /nfs/dbraw/zinc/80/77/00/721807700.db2.gz DIQQDDFYAXVULC-RBBKRZOGSA-N 1 0 380.492 2.889 20 0 GFADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc4c(nn3)CCOC4)C[C@H]21 ZINC001165025734 721829224 /nfs/dbraw/zinc/82/92/24/721829224.db2.gz NOCPZCIMUDCANH-OZOXKJRCSA-N 1 0 379.508 2.681 20 0 GFADRO CNC(=O)c1ccnc(N(C)C2CC[NH+](Cc3c(OC)cccc3OC)CC2)c1 ZINC001165023258 721842532 /nfs/dbraw/zinc/84/25/32/721842532.db2.gz ZKLMEOUMBJVZJV-UHFFFAOYSA-N 1 0 398.507 2.559 20 0 GFADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2cc3c(nn2)CCOC3)CC1 ZINC001165030278 721844728 /nfs/dbraw/zinc/84/47/28/721844728.db2.gz GTFSMPDFQCCTQN-UHFFFAOYSA-N 1 0 398.507 2.667 20 0 GFADRO C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2C(F)(F)c1nc(Cl)ncc1Cl ZINC001164928557 721854872 /nfs/dbraw/zinc/85/48/72/721854872.db2.gz OJTDNMYBIVGETH-NEPJUHHUSA-N 1 0 380.270 2.543 20 0 GFADRO C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2c1nc2cc(F)c(F)cc2nc1Cl ZINC001164925190 721859441 /nfs/dbraw/zinc/85/94/41/721859441.db2.gz DLHIHKMBFVUQSV-HZPDHXFCSA-N 1 0 381.858 2.776 20 0 GFADRO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2C(F)(F)c1cc2cc[nH]c2c(Cl)n1 ZINC001164922682 721874902 /nfs/dbraw/zinc/87/49/02/721874902.db2.gz HQYNZOJVWDTLSS-UONOGXRCSA-N 1 0 383.874 2.976 20 0 GFADRO CN(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCN2c1nc(-c2ccncc2)nc2sccc21 ZINC001164934423 721886077 /nfs/dbraw/zinc/88/60/77/721886077.db2.gz RNGHVTCCZNUHNE-ROUUACIJSA-N 1 0 394.548 2.968 20 0 GFADRO C[NH+](C)[C@@H]1CCCN(C(F)(F)c2nc(Cl)ncc2C(=O)OCC2CC2)C1 ZINC001165040467 721889921 /nfs/dbraw/zinc/88/99/21/721889921.db2.gz WVLIJHVJWWEEEB-GFCCVEGCSA-N 1 0 388.846 2.772 20 0 GFADRO C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2C(Cl)(Cl)Oc1ccc(Cl)nc1 ZINC001164932926 721889952 /nfs/dbraw/zinc/88/99/52/721889952.db2.gz KIICJOODXJUYLA-KGLIPLIRSA-N 1 0 393.746 2.913 20 0 GFADRO O=C(C[C@@H]1OC[C@@H]2CN(c3ncccc3C[NH+]3CCCC3)CC[C@@H]12)NC1CCC1 ZINC001164934663 721897701 /nfs/dbraw/zinc/89/77/01/721897701.db2.gz RUFKBHYSFZIWBB-TYPHKJRUSA-N 1 0 398.551 2.578 20 0 GFADRO O=C(c1ccco1)N1CC[C@@H]2CN(c3cccc(OCC[NH+]4CCCC4)n3)C[C@H]21 ZINC001164961400 722047892 /nfs/dbraw/zinc/04/78/92/722047892.db2.gz ZLFKCBCEACDFIC-QZTJIDSGSA-N 1 0 396.491 2.500 20 0 GFADRO CCOC(=O)c1cc(Cl)nc(N2C[C@@H]3C[N@@H+](CC4CC4)C[C@H](C2)O3)c1C ZINC001164967330 722071618 /nfs/dbraw/zinc/07/16/18/722071618.db2.gz NNYMLLBOFONDNP-GASCZTMLSA-N 1 0 379.888 2.520 20 0 GFADRO O=C(OCc1ccccc1)c1ccc(N2C[C@@H]3C[N@@H+](CC4CC4)C[C@H](C2)O3)nc1 ZINC001164966587 722076269 /nfs/dbraw/zinc/07/62/69/722076269.db2.gz CUDZTUDNSVALEN-OYRHEFFESA-N 1 0 393.487 2.738 20 0 GFADRO CC[N@@H+]1CCCC[C@H]1c1ccc(N2CCO[C@]3(CCCN(C(C)=O)C3)C2)nc1 ZINC001164970077 722084145 /nfs/dbraw/zinc/08/41/45/722084145.db2.gz UEZOVUXNORWLIB-UNMCSNQZSA-N 1 0 386.540 2.846 20 0 GFADRO Cc1nc(CN2CCO[C@@H]3CCN(c4cc(N(C)C)cc[nH+]4)CC[C@@H]32)cs1 ZINC001164994545 722181376 /nfs/dbraw/zinc/18/13/76/722181376.db2.gz YZWGGPSCIMONNJ-RBUKOAKNSA-N 1 0 387.553 2.782 20 0 GFADRO Cn1ccc2c1cc[nH+]c2N1CC[C@@]2(C1)CN(c1cccc(F)c1)C(=O)CN2C ZINC001165003575 722262603 /nfs/dbraw/zinc/26/26/03/722262603.db2.gz IPBYSQYUCQKEND-JOCHJYFZSA-N 1 0 393.466 2.640 20 0 GFADRO CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000097151167 209242151 /nfs/dbraw/zinc/24/21/51/209242151.db2.gz BYFHPBZFWYPMJM-QHCPKHFHSA-N 1 0 391.515 2.697 20 0 GFADRO Cc1cccc(C[NH+]2CCC(NC(=O)[C@H](C)n3nnnc3C(C)(C)C)CC2)c1 ZINC000359977196 209208920 /nfs/dbraw/zinc/20/89/20/209208920.db2.gz WEYZGRMQNSCMER-INIZCTEOSA-N 1 0 384.528 2.621 20 0 GFADRO Cc1nn(C)c(C)c1[C@H](NC(=O)N1CCC([NH+]2CCCC2)CC1)C(F)(F)F ZINC000359864950 209194818 /nfs/dbraw/zinc/19/48/18/209194818.db2.gz FAQRKOIQPBPEBG-INIZCTEOSA-N 1 0 387.450 2.910 20 0 GFADRO Cc1oc2ncn(C)c(=O)c2c1C(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000109485482 211447030 /nfs/dbraw/zinc/44/70/30/211447030.db2.gz AQBACHWRDKCGHR-UHFFFAOYSA-N 1 0 398.488 2.636 20 0 GFADRO CC[NH+](CC)Cc1ccccc1CNC(=O)c1c(C)oc2ncn(C)c(=O)c21 ZINC000024182966 210462633 /nfs/dbraw/zinc/46/26/33/210462633.db2.gz JTXYMGOFDHIZOG-UHFFFAOYSA-N 1 0 382.464 2.607 20 0 GFADRO CS(=O)(=O)N[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(Br)c(F)c1 ZINC000331174655 563538357 /nfs/dbraw/zinc/53/83/57/563538357.db2.gz JKQYDYCSDVUFTN-UONOGXRCSA-N 1 0 379.295 2.538 20 0 GFADRO Cc1nn(Cc2cccc(Br)c2)c(C)c1C(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000179084098 526292599 /nfs/dbraw/zinc/29/25/99/526292599.db2.gz GYPPTPVHZOVFLN-MRXNPFEDSA-N 1 0 391.313 2.745 20 0 GFADRO CS(=O)(=O)N1CCC([NH2+]Cc2ccc(Br)c(Cl)c2)CC1 ZINC000192165617 552553885 /nfs/dbraw/zinc/55/38/85/552553885.db2.gz KDICNQHPAQYYNP-UHFFFAOYSA-N 1 0 381.723 2.616 20 0 GFADRO C[NH+](C)CCn1nnnc1SCc1cc(Cl)cc(Br)c1 ZINC000412996791 563678450 /nfs/dbraw/zinc/67/84/50/563678450.db2.gz VUPOWNSPOMNZPP-UHFFFAOYSA-N 1 0 376.711 2.943 20 0 GFADRO C[N@H+](CCC(=O)Nc1cccc(S(N)(=O)=O)c1)Cc1ccc(Cl)s1 ZINC000028884724 551125268 /nfs/dbraw/zinc/12/52/68/551125268.db2.gz AAGLOZKHBMJPMA-UHFFFAOYSA-N 1 0 387.914 2.510 20 0 GFADRO CCN1CC[NH+](CCCCNC(=O)c2ccc(OC)c(Br)c2)CC1 ZINC000042594300 551139730 /nfs/dbraw/zinc/13/97/30/551139730.db2.gz LMXOPTCEOJDOHE-UHFFFAOYSA-N 1 0 398.345 2.605 20 0 GFADRO CCN1CC[NH+](CCCCNC(=O)c2cc(Br)ccc2F)CC1 ZINC000042593465 551139770 /nfs/dbraw/zinc/13/97/70/551139770.db2.gz FNVZZRWQPXLIRG-UHFFFAOYSA-N 1 0 386.309 2.736 20 0 GFADRO O=C(CNC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12)Nc1cc(Cl)ccc1Cl ZINC000043139311 551141273 /nfs/dbraw/zinc/14/12/73/551141273.db2.gz VUSJEEYFRITOCN-UKRRQHHQSA-N 1 0 385.295 2.858 20 0 GFADRO CCS(=O)(=O)c1ccc(NC(=O)NC[C@@H](c2ccsc2)[NH+](C)C)cc1 ZINC000043952140 551143216 /nfs/dbraw/zinc/14/32/16/551143216.db2.gz ZCRYVINPYPZCQU-INIZCTEOSA-N 1 0 381.523 2.966 20 0 GFADRO CCOC(=O)Cc1csc(NC(=O)NC[C@@H](c2cccs2)[NH+](C)C)n1 ZINC000045287541 551146428 /nfs/dbraw/zinc/14/64/28/551146428.db2.gz YZWKSDLIUMKVER-LBPRGKRZSA-N 1 0 382.511 2.735 20 0 GFADRO CC[NH+](CC)[C@H](C)CNC(=O)NCC(=O)Nc1ccc(Br)cc1C ZINC000047894017 551154256 /nfs/dbraw/zinc/15/42/56/551154256.db2.gz PBXFACISEYMAIL-CYBMUJFWSA-N 1 0 399.333 2.726 20 0 GFADRO C[C@@H](CNC(=O)[C@@H]1CCCN1C(=O)c1ccc(Cl)s1)C[NH+]1CCCC1 ZINC000056984651 551178877 /nfs/dbraw/zinc/17/88/77/551178877.db2.gz NHQJMOFKBUOAFQ-KBPBESRZSA-N 1 0 383.945 2.854 20 0 GFADRO Cc1cc(C)n(CC(=O)N(CC[NH+](C)C)Cc2ccc(Br)cc2)n1 ZINC000056996942 551179277 /nfs/dbraw/zinc/17/92/77/551179277.db2.gz ISCCSOPLENXNEM-UHFFFAOYSA-N 1 0 393.329 2.853 20 0 GFADRO OCCn1nccc1C1CC[NH+](CCOc2ccccc2Br)CC1 ZINC000093788387 551195686 /nfs/dbraw/zinc/19/56/86/551195686.db2.gz VSAGAYXGOSETFH-UHFFFAOYSA-N 1 0 394.313 2.896 20 0 GFADRO O=C(NCc1ccc(C[NH+]2CCC(O)CC2)cc1)c1ccc(Br)o1 ZINC000104922752 551199043 /nfs/dbraw/zinc/19/90/43/551199043.db2.gz ABVUDPKWYKEKRB-UHFFFAOYSA-N 1 0 393.281 2.929 20 0 GFADRO CC[NH+]1CCN([C@H]2CCN(c3ncnc4ccc(Br)cc43)C2)CC1 ZINC000106478887 551200207 /nfs/dbraw/zinc/20/02/07/551200207.db2.gz IHANSVLNBSZFHN-HNNXBMFYSA-N 1 0 390.329 2.609 20 0 GFADRO CC[NH+](CC)CC(=O)N1CCN([C@H](C)c2ccc(Br)cc2)CC1 ZINC000112613361 551205966 /nfs/dbraw/zinc/20/59/66/551205966.db2.gz WCLFUMFFTBNQQI-OAHLLOKOSA-N 1 0 382.346 2.996 20 0 GFADRO C[NH+](C)C1(CNC(=O)C(C)(C)c2cccc(Br)c2)CCOCC1 ZINC000114055046 551208635 /nfs/dbraw/zinc/20/86/35/551208635.db2.gz FOWPIXKHTYJSFV-UHFFFAOYSA-N 1 0 383.330 2.954 20 0 GFADRO COc1ccc(Br)c(C(=O)NCCC[NH2+]Cc2cccn2C)c1 ZINC000119160887 551215791 /nfs/dbraw/zinc/21/57/91/551215791.db2.gz QHZFHIUQYPRUIQ-UHFFFAOYSA-N 1 0 380.286 2.706 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000120354390 551220310 /nfs/dbraw/zinc/22/03/10/551220310.db2.gz RAIQOFLHCVPERJ-XJKSGUPXSA-N 1 0 394.313 2.639 20 0 GFADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)C[C@H](C)c1ccc(Br)cc1 ZINC000120954924 551223312 /nfs/dbraw/zinc/22/33/12/551223312.db2.gz VTFWSNYDKMVBME-LSDHHAIUSA-N 1 0 382.346 2.695 20 0 GFADRO Cc1cccc(C(=O)NC[C@H](C(C)C)[NH+]2CCN(C)CC2)c1Br ZINC000120996463 551224866 /nfs/dbraw/zinc/22/48/66/551224866.db2.gz VMLDNHUCKDQAOI-MRXNPFEDSA-N 1 0 382.346 2.759 20 0 GFADRO Cc1cccc(NC(=O)C(=O)NCc2nccn2CC(C)C)c1Br ZINC000121070350 551226384 /nfs/dbraw/zinc/22/63/84/551226384.db2.gz DVODSJHOLJRNRA-UHFFFAOYSA-N 1 0 393.285 2.865 20 0 GFADRO CN(CCC[NH+](C)C)C(=O)C(=O)Nc1ccc(Br)c2ccccc12 ZINC000121119992 551228024 /nfs/dbraw/zinc/22/80/24/551228024.db2.gz LVIRHUIGRYCTAB-UHFFFAOYSA-N 1 0 392.297 2.951 20 0 GFADRO CC(C)[N@H+](C)CCNC(=O)c1cc(I)c(F)cc1F ZINC000121861726 551244390 /nfs/dbraw/zinc/24/43/90/551244390.db2.gz KMKIVYULLAFNEV-UHFFFAOYSA-N 1 0 382.192 2.639 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000122037616 551293723 /nfs/dbraw/zinc/29/37/23/551293723.db2.gz PAUVATGECPBVDK-CJNGLKHVSA-N 1 0 394.313 2.639 20 0 GFADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)c2ccc(Br)cc2C)CC1 ZINC000122246278 551296049 /nfs/dbraw/zinc/29/60/49/551296049.db2.gz PNWBFGYQLHJPRB-AWEZNQCLSA-N 1 0 382.346 2.761 20 0 GFADRO O=S(=O)(NCC[NH2+]Cc1cccc(Br)c1)c1cccs1 ZINC000122272477 551296597 /nfs/dbraw/zinc/29/65/97/551296597.db2.gz LSHSUIQWPQZVIO-UHFFFAOYSA-N 1 0 375.313 2.579 20 0 GFADRO Cc1ccc(-c2n[nH]cc2C[NH2+]CCNS(=O)(=O)c2cccs2)cc1 ZINC000122259467 551296700 /nfs/dbraw/zinc/29/67/00/551296700.db2.gz LCEIUKKUJJXQBE-UHFFFAOYSA-N 1 0 376.507 2.515 20 0 GFADRO O=C(Nc1ccccc1Br)C1CC[NH+](CCC2OCCO2)CC1 ZINC000124898858 551319087 /nfs/dbraw/zinc/31/90/87/551319087.db2.gz IWELPHAWGONQIT-UHFFFAOYSA-N 1 0 383.286 2.863 20 0 GFADRO CC[C@H]1CC[N@H+](CCC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2Cl)C1 ZINC000125092426 551319462 /nfs/dbraw/zinc/31/94/62/551319462.db2.gz DQGAWYFMOIJYHZ-ZDUSSCGKSA-N 1 0 387.933 2.651 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C(=O)NC1CC[NH+](C)CC1 ZINC000125094338 551319553 /nfs/dbraw/zinc/31/95/53/551319553.db2.gz JNIBSUCUTRKHRO-UHFFFAOYSA-N 1 0 377.286 2.767 20 0 GFADRO O=C(CSCC(F)(F)F)NCc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000125149025 551319859 /nfs/dbraw/zinc/31/98/59/551319859.db2.gz QKQJKYDDIMATQT-HNNXBMFYSA-N 1 0 376.444 2.555 20 0 GFADRO Cc1csc(N2CCC([NH2+]Cc3ccc(CS(C)(=O)=O)cc3)CC2)n1 ZINC000125699181 551323299 /nfs/dbraw/zinc/32/32/99/551323299.db2.gz GHIWPHWBPJKMHB-UHFFFAOYSA-N 1 0 379.551 2.755 20 0 GFADRO O=C1C[C@@H]([C@H]2CCCC[N@H+]2Cc2cc3c(c(Br)c2)OCO3)CN1 ZINC000125759943 551323943 /nfs/dbraw/zinc/32/39/43/551323943.db2.gz HIBRRLQLRGPXDD-TZMCWYRMSA-N 1 0 381.270 2.668 20 0 GFADRO CC[NH+](CC)CCCNC(=O)c1nnn(-c2cccc(Br)c2)c1C ZINC000126711381 551331854 /nfs/dbraw/zinc/33/18/54/551331854.db2.gz CTJGXSDSVKOQGS-UHFFFAOYSA-N 1 0 394.317 2.800 20 0 GFADRO C[NH+]1CCC(C(=O)Nc2nccn2Cc2ccc(Br)cc2)CC1 ZINC000126707120 551331886 /nfs/dbraw/zinc/33/18/86/551331886.db2.gz BDOJXBODPZIGHW-UHFFFAOYSA-N 1 0 377.286 2.974 20 0 GFADRO C[C@H](CNC(=O)c1cc(Cl)cc(Br)c1)C[NH+]1CCN(C)CC1 ZINC000126751827 551332455 /nfs/dbraw/zinc/33/24/55/551332455.db2.gz IVMONCARKPCXQG-GFCCVEGCSA-N 1 0 388.737 2.716 20 0 GFADRO C[NH+](C)C[C@@H]1CCN(C(=O)Nc2cccc(F)c2I)C1 ZINC000127231840 551338440 /nfs/dbraw/zinc/33/84/40/551338440.db2.gz DTRGDAGPDLTRAH-JTQLQIEISA-N 1 0 391.228 2.846 20 0 GFADRO CCOc1cc(C[N@H+](C)CCN2CCCC2=O)cc(Br)c1OC ZINC000127265253 551339263 /nfs/dbraw/zinc/33/92/63/551339263.db2.gz ZVZYZPPLQDXXTN-UHFFFAOYSA-N 1 0 385.302 2.911 20 0 GFADRO NC(=O)[C@H]1CCC[N@H+](CCCN[C@@H]2CCc3c2cc(Br)cc3F)C1 ZINC000127987693 551345475 /nfs/dbraw/zinc/34/54/75/551345475.db2.gz AZWVRXNFGVOQME-YVEFUNNKSA-N 1 0 398.320 2.753 20 0 GFADRO CC(=O)NCc1ccc(-c2nc(NC(=O)C[C@H]3CC[NH2+]C3)sc2C)s1 ZINC000128311344 551348643 /nfs/dbraw/zinc/34/86/43/551348643.db2.gz HLOXBAILIWEZPD-GFCCVEGCSA-N 1 0 378.523 2.754 20 0 GFADRO Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)CN(C)[C@H]1CCSC1 ZINC000128342498 551349176 /nfs/dbraw/zinc/34/91/76/551349176.db2.gz AWJMXWAPZIYYDH-KRWDZBQOSA-N 1 0 379.595 2.920 20 0 GFADRO C[C@@H]([NH2+]Cc1nc(-c2ccc(Br)cc2)c[nH]1)[C@@H]1CN(C)CCO1 ZINC000129416404 551357182 /nfs/dbraw/zinc/35/71/82/551357182.db2.gz INQABIQODYNLGR-WBMJQRKESA-N 1 0 379.302 2.648 20 0 GFADRO O[C@H](C[NH2+]Cc1cccc2c1OCO2)COc1ccccc1Br ZINC000131032978 551371362 /nfs/dbraw/zinc/37/13/62/551371362.db2.gz ZLNGQNAALWZLDO-CYBMUJFWSA-N 1 0 380.238 2.707 20 0 GFADRO [NH3+]C[C@H]1CCCCN1C(=O)c1nn(-c2ccc(F)cc2)cc1Br ZINC000131106632 551372335 /nfs/dbraw/zinc/37/23/35/551372335.db2.gz JNRLWLNONJZUHG-CYBMUJFWSA-N 1 0 381.249 2.727 20 0 GFADRO C[C@@H](NC(=O)C(=O)Nc1ccc(F)c(Br)c1)C(C)(C)C[NH+](C)C ZINC000133166658 551382389 /nfs/dbraw/zinc/38/23/89/551382389.db2.gz BTQZEMNDAKOSQJ-SNVBAGLBSA-N 1 0 388.281 2.619 20 0 GFADRO C[N@H+](CC(=O)Nc1ccccc1I)[C@@H](CO)C(C)(C)C ZINC000134440958 551385880 /nfs/dbraw/zinc/38/58/80/551385880.db2.gz DIQBAXPJYALKEW-ZDUSSCGKSA-N 1 0 390.265 2.569 20 0 GFADRO O=C(NC1CC[NH+](CCOc2ccc(Br)cc2)CC1)c1cocn1 ZINC000136695134 551389934 /nfs/dbraw/zinc/38/99/34/551389934.db2.gz DRCULMZIJSEYOH-UHFFFAOYSA-N 1 0 394.269 2.710 20 0 GFADRO C[N@@H+]1CCC[C@@H]2CN(CC(=O)Nc3ccc(Br)cc3F)CC[C@@H]21 ZINC000139972407 551392830 /nfs/dbraw/zinc/39/28/30/551392830.db2.gz VRCJYTAEZAAGRB-WBMJQRKESA-N 1 0 384.293 2.943 20 0 GFADRO O=C(N[C@H]1CC[N@@H+](C2CC2)C1)c1cc(Cl)ccc1I ZINC000144306767 551395750 /nfs/dbraw/zinc/39/57/50/551395750.db2.gz MIAYJASKDLUSKK-JTQLQIEISA-N 1 0 390.652 2.911 20 0 GFADRO O[C@H](COc1ccc(Br)cc1)CN1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150820474 551402141 /nfs/dbraw/zinc/40/21/41/551402141.db2.gz BGNCHRNWXNPYKX-WBVHZDCISA-N 1 0 383.330 2.607 20 0 GFADRO CN(Cc1ccccc1Br)C(=O)CN1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150826878 551402165 /nfs/dbraw/zinc/40/21/65/551402165.db2.gz XJCRIEIPZFTKDR-MRXNPFEDSA-N 1 0 394.357 2.825 20 0 GFADRO O=S(=O)(C1CC1)N1CCC([NH2+]Cc2cccc(OC(F)(F)F)c2)CC1 ZINC000151262578 551410025 /nfs/dbraw/zinc/41/00/25/551410025.db2.gz GWGSJHFTJRSYJF-UHFFFAOYSA-N 1 0 378.416 2.631 20 0 GFADRO CC[NH2+]CCNC(=O)c1nn(-c2ccc(Br)cc2)c2c1CCCC2 ZINC000151346046 551412128 /nfs/dbraw/zinc/41/21/28/551412128.db2.gz CHGBHASLUGTTOY-UHFFFAOYSA-N 1 0 391.313 2.853 20 0 GFADRO C[C@@H]1C[NH+](CC2CCN(C(=O)c3ccncc3Br)CC2)C[C@@H](C)O1 ZINC000151689112 551419478 /nfs/dbraw/zinc/41/94/78/551419478.db2.gz NJJRHDWVTGXPEB-ZIAGYGMSSA-N 1 0 396.329 2.806 20 0 GFADRO C[NH+](C)CC1CCC(NS(=O)(=O)c2cc3c(cc2Cl)OCCO3)CC1 ZINC000151735280 551420216 /nfs/dbraw/zinc/42/02/16/551420216.db2.gz ZKTPLLOZWVJQMQ-UHFFFAOYSA-N 1 0 388.917 2.510 20 0 GFADRO Cc1cc(NC(=O)C[NH2+]C[C@@H]2CCCO2)n(-c2cccc(Br)c2)n1 ZINC000151872451 551422463 /nfs/dbraw/zinc/42/24/63/551422463.db2.gz AWISYNAJFNWOOZ-HNNXBMFYSA-N 1 0 393.285 2.650 20 0 GFADRO CCS(=O)(=O)NCCC[N@@H+]1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000151856747 551422526 /nfs/dbraw/zinc/42/25/26/551422526.db2.gz GOZKZRUUOPIPSA-NSHDSACASA-N 1 0 385.477 2.671 20 0 GFADRO CSCC[C@H]([NH3+])C(=O)Nc1nc(-c2ccc(NC(C)=O)cc2F)cs1 ZINC000151967916 551423958 /nfs/dbraw/zinc/42/39/58/551423958.db2.gz SCGYXJJNYMANGP-ZDUSSCGKSA-N 1 0 382.486 2.927 20 0 GFADRO C[NH2+]CC1CCN(C(=O)CCC(=O)c2cc(Br)ccc2OC)CC1 ZINC000152310255 551430311 /nfs/dbraw/zinc/43/03/11/551430311.db2.gz HUUBXTOARXVFGU-UHFFFAOYSA-N 1 0 397.313 2.879 20 0 GFADRO COCCC[N@H+](C)CCNC(=O)CCc1ccc(Br)cc1F ZINC000152472628 551433758 /nfs/dbraw/zinc/43/37/58/551433758.db2.gz CKDWVCWIPXYDRG-UHFFFAOYSA-N 1 0 375.282 2.605 20 0 GFADRO CCc1nc2c(s1)[C@H]([N@H+](C)Cc1nn3c(nc(C)cc3=O)s1)CCC2 ZINC000152518549 551434862 /nfs/dbraw/zinc/43/48/62/551434862.db2.gz CSKFOYOOXHICFY-GFCCVEGCSA-N 1 0 375.523 2.988 20 0 GFADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)CCC(=O)c1cc(Cl)sc1Cl ZINC000152666415 551437404 /nfs/dbraw/zinc/43/74/04/551437404.db2.gz QRDLDNOKNFWKOE-LLVKDONJSA-N 1 0 392.352 2.770 20 0 GFADRO COC1(C(=O)NCC2(c3ccc(Br)cc3)CCC2)CC[NH2+]CC1 ZINC000152680256 551438104 /nfs/dbraw/zinc/43/81/04/551438104.db2.gz LFJCOQBMWZMSKA-UHFFFAOYSA-N 1 0 381.314 2.756 20 0 GFADRO CSC[C@@H](CCO)NC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000153105221 551446771 /nfs/dbraw/zinc/44/67/71/551446771.db2.gz PEQRIOUMJOVFHU-QGZVFWFLSA-N 1 0 385.961 2.718 20 0 GFADRO COCCN(CC[NH+](C)C)C(=O)Cc1c[nH]c2cccc(Br)c12 ZINC000153113361 551446816 /nfs/dbraw/zinc/44/68/16/551446816.db2.gz UKBKOVFDINNUTH-UHFFFAOYSA-N 1 0 382.302 2.510 20 0 GFADRO CC[C@H](C)[N@H+](C)CCNC(=O)c1c(F)cccc1I ZINC000153411888 551452204 /nfs/dbraw/zinc/45/22/04/551452204.db2.gz OVQDDYFYDYETMD-JTQLQIEISA-N 1 0 378.229 2.890 20 0 GFADRO Cc1ccc(I)cc1C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000153431418 551452357 /nfs/dbraw/zinc/45/23/57/551452357.db2.gz OZNOOQCFCPJTRT-AWEZNQCLSA-N 1 0 384.261 2.814 20 0 GFADRO CC(C)n1cnc(S(=O)(=O)NC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)c1 ZINC000153529001 551454863 /nfs/dbraw/zinc/45/48/63/551454863.db2.gz AIBHFVYNNOBLGE-PBHICJAKSA-N 1 0 382.555 2.887 20 0 GFADRO C[C@@H]([NH2+]C1CCN(S(=O)(=O)c2cnn(C)c2)CC1)c1ccccc1Cl ZINC000153628121 551457136 /nfs/dbraw/zinc/45/71/36/551457136.db2.gz YDKQGPHICDHGNY-CYBMUJFWSA-N 1 0 382.917 2.577 20 0 GFADRO C[C@H](Cc1ccc(Br)cc1)C(=O)N(C)CCCN1CC[NH+](C)CC1 ZINC000153831432 551461493 /nfs/dbraw/zinc/46/14/93/551461493.db2.gz HGNGBBDJYSZBFH-MRXNPFEDSA-N 1 0 396.373 2.724 20 0 GFADRO O=S(=O)(CC[NH2+]C1CC(c2ccc(Cl)cc2)C1)NC[C@@H]1CCCCO1 ZINC000154204767 551469624 /nfs/dbraw/zinc/46/96/24/551469624.db2.gz MGEDOLMEKMKOFY-VJFUWPCTSA-N 1 0 386.945 2.664 20 0 GFADRO CS[C@H](CO)[C@@H](C)[NH2+][C@@H](C)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000154345038 551472963 /nfs/dbraw/zinc/47/29/63/551472963.db2.gz LGQIQBXYUTUBJW-HDMKZQKVSA-N 1 0 386.583 2.624 20 0 GFADRO CCCN1CCCN(C(=O)c2cc(S(C)(=O)=O)c(Cl)cc2Cl)CC1 ZINC000154370156 551473430 /nfs/dbraw/zinc/47/34/30/551473430.db2.gz HIMWEBHSMIQDLM-UHFFFAOYSA-N 1 0 393.336 2.955 20 0 GFADRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)CNC(=O)c1ccc(Br)cc1 ZINC000154931291 551486220 /nfs/dbraw/zinc/48/62/20/551486220.db2.gz MIYYLSQLOQNCQN-MRXNPFEDSA-N 1 0 396.329 2.560 20 0 GFADRO COCC[NH+]1CCC(NC(=O)c2c[nH]c3cccc(Br)c23)CC1 ZINC000155004801 551488870 /nfs/dbraw/zinc/48/88/70/551488870.db2.gz TZYWXTJGPJLURN-UHFFFAOYSA-N 1 0 380.286 2.771 20 0 GFADRO CCOC(=O)C[C@@H](NC(=O)C[C@H]1CCC[NH2+]1)c1ccc(Br)cc1 ZINC000155446012 551499862 /nfs/dbraw/zinc/49/98/62/551499862.db2.gz BHVVAHJBWIESBY-HUUCEWRRSA-N 1 0 383.286 2.702 20 0 GFADRO Cc1ccc(C[NH2+]C[C@@H](O)COc2ccc(I)cc2)cn1 ZINC000155720669 551506463 /nfs/dbraw/zinc/50/64/63/551506463.db2.gz JAXHWQCLQXAEOI-OAHLLOKOSA-N 1 0 398.244 2.524 20 0 GFADRO CCC(CC)[C@H](CNC(=O)Nc1cc(Br)c(=O)n(C)c1)[NH+](C)C ZINC000156274694 551518776 /nfs/dbraw/zinc/51/87/76/551518776.db2.gz GLSXRASGIWFVGL-AWEZNQCLSA-N 1 0 387.322 2.636 20 0 GFADRO Cn1cc(NC(=O)N2CC[NH+](C3CCCCC3)CC2)cc(Br)c1=O ZINC000156288699 551519240 /nfs/dbraw/zinc/51/92/40/551519240.db2.gz YUMATXLVRYITKH-UHFFFAOYSA-N 1 0 397.317 2.630 20 0 GFADRO Cn1cc(NC(=O)N2CCC([NH2+]C3CCCC3)CC2)cc(Br)c1=O ZINC000156304603 551519460 /nfs/dbraw/zinc/51/94/60/551519460.db2.gz KMBCQXVCUCCPAD-UHFFFAOYSA-N 1 0 397.317 2.676 20 0 GFADRO CC(=O)N1CC[C@H](C[N@H+](C)CCC(=O)Nc2cccc(Br)c2)C1 ZINC000156343891 551520320 /nfs/dbraw/zinc/52/03/20/551520320.db2.gz LKIGOYSYZRLNHE-CQSZACIVSA-N 1 0 382.302 2.578 20 0 GFADRO COCC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)Cc1cc(Cl)cc(Cl)c1 ZINC000156758979 551528092 /nfs/dbraw/zinc/52/80/92/551528092.db2.gz UYGHUXHXCMHZGP-OAHLLOKOSA-N 1 0 381.325 2.524 20 0 GFADRO CCS(=O)(=O)N(C)CCC[NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000156904733 551530687 /nfs/dbraw/zinc/53/06/87/551530687.db2.gz ICZVYCGGPQSWCO-UHFFFAOYSA-N 1 0 387.977 2.566 20 0 GFADRO Cc1cc(Br)cc2cc(C(=O)NC[C@H](C)N3CC[NH+](C)CC3)oc21 ZINC000157166012 551534212 /nfs/dbraw/zinc/53/42/12/551534212.db2.gz FXWGJWJSNINMNY-ZDUSSCGKSA-N 1 0 394.313 2.869 20 0 GFADRO CCC[NH+]1CCC(N(C)S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)CC1 ZINC000157272268 551535823 /nfs/dbraw/zinc/53/58/23/551535823.db2.gz JBELQAAUNIBPOY-UHFFFAOYSA-N 1 0 386.386 2.877 20 0 GFADRO COC1CC[NH+](CCNC(=O)[C@@H](C)Cc2ccc(Br)cc2)CC1 ZINC000157590388 551539712 /nfs/dbraw/zinc/53/97/12/551539712.db2.gz SWMSZCMBHGUSEB-AWEZNQCLSA-N 1 0 383.330 2.855 20 0 GFADRO C[C@@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+]C[C@]1(O)CCSC1 ZINC000158266889 551549565 /nfs/dbraw/zinc/54/95/65/551549565.db2.gz YKGUQGFUSIUNNS-XHDPSFHLSA-N 1 0 378.416 2.760 20 0 GFADRO COC(=O)c1cc(Cl)ccc1S(=O)(=O)NCC[N@H+](C)C1CCCCC1 ZINC000158764593 551556062 /nfs/dbraw/zinc/55/60/62/551556062.db2.gz ANSYAJRYVMOAEP-UHFFFAOYSA-N 1 0 388.917 2.669 20 0 GFADRO Cn1cc(CNC(=O)NC[C@H](c2cccs2)[NH+](C)C)c(C(F)(F)F)n1 ZINC000158988057 551559712 /nfs/dbraw/zinc/55/97/12/551559712.db2.gz VJWPDWYILPUCFC-LLVKDONJSA-N 1 0 375.420 2.603 20 0 GFADRO CCC[NH+]1CCC(CNC(=O)c2cncc(I)c2)CC1 ZINC000161889275 551599781 /nfs/dbraw/zinc/59/97/81/551599781.db2.gz WUMIWYRLJYCCFC-UHFFFAOYSA-N 1 0 387.265 2.538 20 0 GFADRO Cc1c(C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)cnn1-c1ccc(Br)cc1 ZINC000161968161 551601229 /nfs/dbraw/zinc/60/12/29/551601229.db2.gz OBYFUYQPCUQJNN-UONOGXRCSA-N 1 0 377.286 2.943 20 0 GFADRO Cc1ccc(C(=O)NC[C@@H](C(C)C)[NH+]2CCN(C)CC2)c(Br)c1 ZINC000162153352 551604389 /nfs/dbraw/zinc/60/43/89/551604389.db2.gz LSWJFFPAVRRKKU-KRWDZBQOSA-N 1 0 382.346 2.759 20 0 GFADRO O=S(=O)(Cc1ccon1)NCC[NH2+][C@@H]1CCc2c1ccc(Cl)c2Cl ZINC000162434187 551608353 /nfs/dbraw/zinc/60/83/53/551608353.db2.gz HRGFLWVTQXZJDN-CQSZACIVSA-N 1 0 390.292 2.678 20 0 GFADRO C[C@@H]1C[N@@H+](CCC2CCN(C(=O)C[C@@H]3CSCCS3)CC2)C[C@H](C)O1 ZINC000162548349 551609845 /nfs/dbraw/zinc/60/98/45/551609845.db2.gz BHPNBHNUHGWIOU-SOLBZPMBSA-N 1 0 386.627 2.963 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)C(=O)N(CC[NH+](C)C)CC(C)C ZINC000162768148 551612749 /nfs/dbraw/zinc/61/27/49/551612749.db2.gz PKVICCUFRPCGRS-UHFFFAOYSA-N 1 0 384.318 2.742 20 0 GFADRO COCCC[NH+]1CCC(NC(=O)[C@@H](O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000162966866 551614694 /nfs/dbraw/zinc/61/46/94/551614694.db2.gz QKUALWHIUYHVGS-INIZCTEOSA-N 1 0 375.296 2.644 20 0 GFADRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)c2cc(I)c[nH]2)C1 ZINC000163280447 551618539 /nfs/dbraw/zinc/61/85/39/551618539.db2.gz VWXKDJORWUZYSJ-LBPRGKRZSA-N 1 0 389.281 2.717 20 0 GFADRO C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)Nc2cc(Cl)ccc2Br)C1 ZINC000163430158 551619422 /nfs/dbraw/zinc/61/94/22/551619422.db2.gz UUSSHOCKHKXORZ-LLVKDONJSA-N 1 0 388.693 2.594 20 0 GFADRO COc1cc(OC)c(C[NH2+][C@H](C)Cn2cc(Br)cn2)c(OC)c1 ZINC000164416789 551625766 /nfs/dbraw/zinc/62/57/66/551625766.db2.gz AIZSCJICGNTKQA-LLVKDONJSA-N 1 0 384.274 2.850 20 0 GFADRO [NH3+][C@H](Cc1ccccc1)C(=O)N[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000167450941 551633543 /nfs/dbraw/zinc/63/35/43/551633543.db2.gz KRYWWCREDIZOHQ-FUHWJXTLSA-N 1 0 388.309 2.714 20 0 GFADRO COCCC[NH+]1CCC(NC(=O)[C@@H](C)Oc2ccc(Br)cc2)CC1 ZINC000171125264 551648008 /nfs/dbraw/zinc/64/80/08/551648008.db2.gz JFVWEXGHBVZGDZ-CQSZACIVSA-N 1 0 399.329 2.834 20 0 GFADRO COCC[N@H+](C)CCNC(=O)N[C@H](C)CCc1ccc(Br)cc1 ZINC000171200848 551649542 /nfs/dbraw/zinc/64/95/42/551649542.db2.gz MECBLSGVDCYDPP-CQSZACIVSA-N 1 0 386.334 2.648 20 0 GFADRO CCC[NH+]1CCC(CNS(=O)(=O)c2cc3c(cc2Cl)OCCO3)CC1 ZINC000171242672 551650868 /nfs/dbraw/zinc/65/08/68/551650868.db2.gz UTZOBECFWRPKIW-UHFFFAOYSA-N 1 0 388.917 2.512 20 0 GFADRO CC(C)[N@H+](C)CCNC(=O)N1CCO[C@@H](c2cccc(Br)c2)C1 ZINC000171247272 551651106 /nfs/dbraw/zinc/65/11/06/551651106.db2.gz QUFHDFSSQLKOGK-MRXNPFEDSA-N 1 0 384.318 2.872 20 0 GFADRO Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)c1ccc(C(N)=O)s1 ZINC000171297752 551651989 /nfs/dbraw/zinc/65/19/89/551651989.db2.gz YZZCNGPDQXZCIK-UHFFFAOYSA-N 1 0 375.519 2.957 20 0 GFADRO COC(=O)[C@@H](C)C[N@H+](CC(=O)N(C)Cc1ccccc1Br)C1CC1 ZINC000171302014 551652553 /nfs/dbraw/zinc/65/25/53/551652553.db2.gz LCIFDIQECJTGFR-ZDUSSCGKSA-N 1 0 397.313 2.681 20 0 GFADRO C[C@@H]1CCC[C@H]([NH2+]CC(=O)NCC(=O)Nc2ccccc2Br)[C@@H]1C ZINC000171411157 551654192 /nfs/dbraw/zinc/65/41/92/551654192.db2.gz UAFUUTFEIBKLQC-NFAWXSAZSA-N 1 0 396.329 2.918 20 0 GFADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)NCc2ccc(Br)cc2)C1 ZINC000171702409 551661507 /nfs/dbraw/zinc/66/15/07/551661507.db2.gz IFTGARYQRSCJOU-INIZCTEOSA-N 1 0 384.318 2.605 20 0 GFADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CCc2cc(Br)cs2)C1 ZINC000171734836 551662085 /nfs/dbraw/zinc/66/20/85/551662085.db2.gz RNPZLZKSKBYOPT-AWEZNQCLSA-N 1 0 389.359 2.916 20 0 GFADRO CC[NH+](CC)CCN(C(=O)[C@@H](C)n1cncn1)c1cccc(Br)c1 ZINC000171929102 551667008 /nfs/dbraw/zinc/66/70/08/551667008.db2.gz LIESRWPDEXETAK-CQSZACIVSA-N 1 0 394.317 2.977 20 0 GFADRO C[C@H](NC(=O)N1CCC([N@H+](C)CCCO)CC1)c1ccc(Br)cc1 ZINC000172592611 551682478 /nfs/dbraw/zinc/68/24/78/551682478.db2.gz QWPSBQBZXYYBPO-AWEZNQCLSA-N 1 0 398.345 2.998 20 0 GFADRO NC(=O)[C@@H](c1ccc(Br)cc1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000172585746 551682571 /nfs/dbraw/zinc/68/25/71/551682571.db2.gz FNBZJZCIQIWSNX-QGZVFWFLSA-N 1 0 380.330 2.926 20 0 GFADRO CN1CCC(CNC(=O)c2ccc(Br)o2)([NH+]2CCCCC2)CC1 ZINC000172752656 551686548 /nfs/dbraw/zinc/68/65/48/551686548.db2.gz XBSDUSGHRQLJMC-UHFFFAOYSA-N 1 0 384.318 2.722 20 0 GFADRO Ic1ccc2ncnc(N3CC[C@H]([NH+]4CC=CC4)C3)c2c1 ZINC000172773047 551687246 /nfs/dbraw/zinc/68/72/46/551687246.db2.gz XSVKUPACQBGSEL-ZDUSSCGKSA-N 1 0 392.244 2.685 20 0 GFADRO Cc1cc(Cl)cc(NC(=O)C(=O)N2CC[C@@H]([NH3+])[C@@H](C)C2)c1Br ZINC000415442450 563776138 /nfs/dbraw/zinc/77/61/38/563776138.db2.gz NLGBFHIAQAEZDI-GXSJLCMTSA-N 1 0 388.693 2.545 20 0 GFADRO C[NH+](C)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2Br)CC1 ZINC000365406506 563782076 /nfs/dbraw/zinc/78/20/76/563782076.db2.gz SCEDQXPUTPMKOB-GFCCVEGCSA-N 1 0 379.295 2.693 20 0 GFADRO C[C@H]1CN(c2ncc(Cl)cc2Br)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000365951963 563795850 /nfs/dbraw/zinc/79/58/50/563795850.db2.gz AMCMZARBNUBDQJ-WFASDCNBSA-N 1 0 387.753 2.960 20 0 GFADRO Cc1cc(Cl)cc(NC(=O)C(=O)NC(C)(C)CCC[NH3+])c1Br ZINC000415767549 563795647 /nfs/dbraw/zinc/79/56/47/563795647.db2.gz XPYSJGGLFSUITJ-UHFFFAOYSA-N 1 0 390.709 2.983 20 0 GFADRO CC1CC[NH+](C[C@@H]2CCCN(C(=O)c3c[nH]c(=O)c(Br)c3)C2)CC1 ZINC000173357045 552083998 /nfs/dbraw/zinc/08/39/98/552083998.db2.gz DZAMUDKKJNBRAI-AWEZNQCLSA-N 1 0 396.329 2.722 20 0 GFADRO C[NH+](C)CCn1ccc(NC(=O)NCCc2cc(Br)ccc2F)n1 ZINC000173953650 552096075 /nfs/dbraw/zinc/09/60/75/552096075.db2.gz NFDKARNTABKTBA-UHFFFAOYSA-N 1 0 398.280 2.711 20 0 GFADRO CC[NH+]1CCC(CCNC(=O)c2ccc(Cl)c(NS(C)(=O)=O)c2)CC1 ZINC000174106633 552099220 /nfs/dbraw/zinc/09/92/20/552099220.db2.gz JOGIBHXPQCCOBJ-UHFFFAOYSA-N 1 0 387.933 2.563 20 0 GFADRO CC[NH+]1CCC(CCNC(=O)c2cc(Br)cnc2N(C)C)CC1 ZINC000174137860 552100145 /nfs/dbraw/zinc/10/01/45/552100145.db2.gz PRZOXHUSXBYBDL-UHFFFAOYSA-N 1 0 383.334 2.762 20 0 GFADRO C[C@@H]1C[N@@H+](CC2CCN(C(=O)c3ccc(Br)nc3)CC2)C[C@H](C)O1 ZINC000174168718 552101314 /nfs/dbraw/zinc/10/13/14/552101314.db2.gz DICNSQAVUPOLRE-OKILXGFUSA-N 1 0 396.329 2.806 20 0 GFADRO CC(C)C[C@@H](CNC(=O)C(=O)Nc1ccc(Br)c(F)c1)[NH+](C)C ZINC000174615330 552106675 /nfs/dbraw/zinc/10/66/75/552106675.db2.gz MIVVYPAQLSSZKR-LBPRGKRZSA-N 1 0 388.281 2.619 20 0 GFADRO CCC[N@H+](CC)CCNC(=O)CSc1nncn1-c1cccc(Cl)c1 ZINC000174653939 552108228 /nfs/dbraw/zinc/10/82/28/552108228.db2.gz SXZKNFKLERTLQH-UHFFFAOYSA-N 1 0 381.933 2.861 20 0 GFADRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)Nc1ccc(F)c(Br)c1 ZINC000174909052 552112629 /nfs/dbraw/zinc/11/26/29/552112629.db2.gz IOEDGXWQSWKJFQ-GFCCVEGCSA-N 1 0 386.265 2.517 20 0 GFADRO C[NH+](C)C1CCN(CCNC(=O)Nc2ccc(F)c(Br)c2)CC1 ZINC000175443897 552121897 /nfs/dbraw/zinc/12/18/97/552121897.db2.gz XAHSIHPFQRRAPO-UHFFFAOYSA-N 1 0 387.297 2.736 20 0 GFADRO C[C@@H](N1CCN(C(=O)NC[C@H](c2cccs2)[NH+](C)C)CC1)C(F)(F)F ZINC000175545705 552124502 /nfs/dbraw/zinc/12/45/02/552124502.db2.gz QBKKQRPQLIHHFQ-CHWSQXEVSA-N 1 0 378.464 2.629 20 0 GFADRO C[NH+]1CCN(Cc2ccc(CNC(=O)c3occc3Br)cc2)CC1 ZINC000175666642 552126354 /nfs/dbraw/zinc/12/63/54/552126354.db2.gz UNKZBOWULPPXCL-UHFFFAOYSA-N 1 0 392.297 2.720 20 0 GFADRO C[C@@H]1C[C@@H](N(C)C(=O)Nc2cccc(S(=O)(=O)C(F)F)c2)CC[N@@H+]1C ZINC000175999246 552133702 /nfs/dbraw/zinc/13/37/02/552133702.db2.gz FXECTVDJUSYPKL-YPMHNXCESA-N 1 0 375.441 2.629 20 0 GFADRO CCOC[C@H]1CC[N@H+](CC(=O)Nc2cccc(I)c2)C1 ZINC000176318040 552138303 /nfs/dbraw/zinc/13/83/03/552138303.db2.gz HFWOIZQPIRFDMB-LBPRGKRZSA-N 1 0 388.249 2.588 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)Cc2cc3c(cc2Br)OCCO3)C1 ZINC000176676901 552143445 /nfs/dbraw/zinc/14/34/45/552143445.db2.gz HPHZVJGLGCOTII-ZIAGYGMSSA-N 1 0 397.313 2.752 20 0 GFADRO C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)N(C)Cc1cnccn1 ZINC000177240497 552152360 /nfs/dbraw/zinc/15/23/60/552152360.db2.gz RNGSMXOHMWVTAQ-CYBMUJFWSA-N 1 0 377.286 2.718 20 0 GFADRO O=C(NCc1ccc(Br)s1)N1CC[NH+](C2CCOCC2)CC1 ZINC000177332209 552153200 /nfs/dbraw/zinc/15/32/00/552153200.db2.gz HHEARMPMXACZTP-UHFFFAOYSA-N 1 0 388.331 2.517 20 0 GFADRO C[C@H]1C[C@@H](NC(=O)c2c[nH]c(=O)c(Br)c2)C[N@@H+]1Cc1ccccc1 ZINC000177454781 552155025 /nfs/dbraw/zinc/15/50/25/552155025.db2.gz MZUMIKROXPKXAE-SWLSCSKDSA-N 1 0 390.281 2.530 20 0 GFADRO O=C(CN1CC[NH+]([C@H]2C[C@H]3CC[C@@H]2C3)CC1)Nc1ccc(Br)cn1 ZINC000177946398 552161051 /nfs/dbraw/zinc/16/10/51/552161051.db2.gz HFJMGVVVQPRWKR-LZWOXQAQSA-N 1 0 393.329 2.589 20 0 GFADRO C[C@@H](O)[C@H]1C[C@H](C)CC[N@@H+]1CC(=O)N(C)Cc1cc(Br)cs1 ZINC000443327163 563800871 /nfs/dbraw/zinc/80/08/71/563800871.db2.gz FMVZNYHWXOSVMV-LALPHHSUSA-N 1 0 389.359 2.950 20 0 GFADRO O=C(Nc1ccc(C(=O)NC[C@@H]2CCC[NH2+]2)cc1)c1ccc(Br)o1 ZINC000178729287 552174349 /nfs/dbraw/zinc/17/43/49/552174349.db2.gz KTMKRCJEGYQILQ-ZDUSSCGKSA-N 1 0 392.253 2.776 20 0 GFADRO Cc1cc(I)ccc1NC(=O)C[N@H+](C)C[C@@H]1CCOC1 ZINC000178772246 552175001 /nfs/dbraw/zinc/17/50/01/552175001.db2.gz PMOWAXLKPALKJV-LBPRGKRZSA-N 1 0 388.249 2.506 20 0 GFADRO C[N@H+](Cc1ccccc1)CC(C)(C)NC(=O)c1c[nH]c(=O)c(Br)c1 ZINC000178922655 552179079 /nfs/dbraw/zinc/17/90/79/552179079.db2.gz JOHCPWWKLNRMNM-UHFFFAOYSA-N 1 0 392.297 2.778 20 0 GFADRO C[NH+](C)C[C@H]1CCN(C(=O)c2cn(-c3ccc(Br)cc3)cn2)C1 ZINC000178920630 552179362 /nfs/dbraw/zinc/17/93/62/552179362.db2.gz ZXSBIEUQIKZHNN-CYBMUJFWSA-N 1 0 377.286 2.659 20 0 GFADRO CN(CC[NH2+]Cc1cnc(-c2ccccc2)[nH]1)S(=O)(=O)c1cccs1 ZINC000178939709 552179667 /nfs/dbraw/zinc/17/96/67/552179667.db2.gz SSIWOUAGMHKHFU-UHFFFAOYSA-N 1 0 376.507 2.549 20 0 GFADRO C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000179435050 552193292 /nfs/dbraw/zinc/19/32/92/552193292.db2.gz JAZBJTLLPBRCSA-GXTWGEPZSA-N 1 0 377.286 2.721 20 0 GFADRO C[C@@H](Cn1cc(Br)cn1)[NH2+][C@@H]1CCCN(c2ccccc2F)C1=O ZINC000179498638 552195256 /nfs/dbraw/zinc/19/52/56/552195256.db2.gz OIRUGNHRPXYCAT-SWLSCSKDSA-N 1 0 395.276 2.958 20 0 GFADRO COc1cc(Cl)c(Cl)cc1C(=O)NCCCC[N@@H+]1CCC[C@H]1CO ZINC000179602275 552197987 /nfs/dbraw/zinc/19/79/87/552197987.db2.gz JDPQWQLKTWQOOB-LBPRGKRZSA-N 1 0 375.296 2.969 20 0 GFADRO Cc1cc(Br)ccc1CC(=O)NC[C@@H](C(C)C)N1CCOCC1 ZINC000180154819 552215740 /nfs/dbraw/zinc/21/57/40/552215740.db2.gz IWUOOBCLZMUVFS-KRWDZBQOSA-N 1 0 383.330 2.773 20 0 GFADRO CC(C)NS(=O)(=O)CC[NH2+][C@H]1C[C@H](C)c2c1cccc2Br ZINC000180464351 552226728 /nfs/dbraw/zinc/22/67/28/552226728.db2.gz WRBWHISXVVKYGK-FZMZJTMJSA-N 1 0 375.332 2.915 20 0 GFADRO COCC[NH+]1CCC(N[C@@H](C(=O)OC)c2cccc(Cl)c2Cl)CC1 ZINC000180630050 552231678 /nfs/dbraw/zinc/23/16/78/552231678.db2.gz DJOUGJGGEAYTFI-MRXNPFEDSA-N 1 0 375.296 2.908 20 0 GFADRO C[C@H]1C[C@H]([NH2+]CCS(=O)(=O)NC[C@@H]2CCCCO2)c2ccsc2S1 ZINC000180749039 552234655 /nfs/dbraw/zinc/23/46/55/552234655.db2.gz SRJWPDOSJDMSGK-YDHLFZDLSA-N 1 0 390.596 2.752 20 0 GFADRO C[C@H](Cn1cc(Br)cn1)[NH2+][C@@H]1CCN(c2ccccc2F)C1=O ZINC000180771188 552235415 /nfs/dbraw/zinc/23/54/15/552235415.db2.gz LOEFGAAAVCLJCT-BXUZGUMPSA-N 1 0 381.249 2.568 20 0 GFADRO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]CCc2nc3c(s2)CCCC3)cc1 ZINC000180839074 552237346 /nfs/dbraw/zinc/23/73/46/552237346.db2.gz UESRTJJPYOSIBN-CYBMUJFWSA-N 1 0 379.551 2.823 20 0 GFADRO CC(=O)N1CC[C@@H](C[N@@H+](C)Cc2cc(Br)c3c(c2)OCCO3)C1 ZINC000180825004 552237358 /nfs/dbraw/zinc/23/73/58/552237358.db2.gz HBRUASJYRVDJQN-ZDUSSCGKSA-N 1 0 383.286 2.521 20 0 GFADRO COCc1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1ccc(F)c(Br)c1)CC2 ZINC000181300136 552253027 /nfs/dbraw/zinc/25/30/27/552253027.db2.gz UWBUHOAEXDDNMO-CMPLNLGQSA-N 1 0 383.265 2.992 20 0 GFADRO C[NH+](C)CCCNC(=O)C(=O)Nc1ccc(Br)c2ccccc12 ZINC000181298412 552253155 /nfs/dbraw/zinc/25/31/55/552253155.db2.gz VLIPHDDKLRRSSC-UHFFFAOYSA-N 1 0 378.270 2.609 20 0 GFADRO C[C@@H]([NH2+]CCCNS(C)(=O)=O)c1cc2cc(Br)ccc2o1 ZINC000181431776 552256416 /nfs/dbraw/zinc/25/64/16/552256416.db2.gz RIBVVZFDTLZIFA-SNVBAGLBSA-N 1 0 375.288 2.785 20 0 GFADRO C[C@H]([NH2+]Cc1ccc(Br)cc1N1CCOCC1)c1cnn(C)c1 ZINC000181458096 552257096 /nfs/dbraw/zinc/25/70/96/552257096.db2.gz KQYWUCFXFMVURT-ZDUSSCGKSA-N 1 0 379.302 2.870 20 0 GFADRO COc1ccc(OC)c([C@H](C)[NH2+]CCN(C)S(=O)(=O)c2cccs2)c1 ZINC000181503044 552258294 /nfs/dbraw/zinc/25/82/94/552258294.db2.gz DHZJCBWZDIRMOD-ZDUSSCGKSA-N 1 0 384.523 2.737 20 0 GFADRO Cc1ccc(C[C@@H]([NH2+]C[C@@H](O)CS(=O)(=O)c2cccs2)C2CC2)cc1 ZINC000181642296 552264085 /nfs/dbraw/zinc/26/40/85/552264085.db2.gz LCGGLTNJYAAUPW-QZTJIDSGSA-N 1 0 379.547 2.802 20 0 GFADRO C[C@H]([NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1)c1cc(Br)ccc1F ZINC000181677831 552265243 /nfs/dbraw/zinc/26/52/43/552265243.db2.gz CITREOJLQCMYIC-QWRGUYRKSA-N 1 0 379.295 2.520 20 0 GFADRO Cc1cc(Br)ccc1CC(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000181805532 552268022 /nfs/dbraw/zinc/26/80/22/552268022.db2.gz CBFLYPKVBHOXED-INIZCTEOSA-N 1 0 395.341 2.871 20 0 GFADRO C[C@@H]([NH2+][C@H](CC(N)=O)C1CCOCC1)C(=O)Nc1ccc(Cl)cc1Cl ZINC000181961959 552271842 /nfs/dbraw/zinc/27/18/42/552271842.db2.gz BMHAXJOLJVOKBV-MEBBXXQBSA-N 1 0 388.295 2.581 20 0 GFADRO COc1ccc([C@H](C)[NH2+]C[C@H]2CCCN2S(C)(=O)=O)c(Br)c1 ZINC000182069453 552274473 /nfs/dbraw/zinc/27/44/73/552274473.db2.gz NQMDHSUWHGHWMX-NWDGAFQWSA-N 1 0 391.331 2.532 20 0 GFADRO COc1ccc(Cl)cc1N1CC[C@@H]([NH2+][C@@H]2CCCC[C@@H]2S(C)(=O)=O)C1 ZINC000182172982 552277770 /nfs/dbraw/zinc/27/77/70/552277770.db2.gz MJWGKBVBHCPLGS-RKVPGOIHSA-N 1 0 386.945 2.873 20 0 GFADRO COc1ccc([C@H](CCO)[NH2+]CC(=O)Nc2ccc(Br)cn2)cc1 ZINC000182386190 552282747 /nfs/dbraw/zinc/28/27/47/552282747.db2.gz ZJGGCJBMVZBQFO-HNNXBMFYSA-N 1 0 394.269 2.505 20 0 GFADRO COCC[N@H+](C)CCCNC(=O)Nc1cc(F)c(Br)c(F)c1 ZINC000182490957 552285734 /nfs/dbraw/zinc/28/57/34/552285734.db2.gz YYWFCVHVMSTJGK-UHFFFAOYSA-N 1 0 380.233 2.817 20 0 GFADRO CCCN([C@@H]1CC[NH2+]C1)S(=O)(=O)c1ccc(Br)c(Cl)c1 ZINC000183149955 552301545 /nfs/dbraw/zinc/30/15/45/552301545.db2.gz HGVGUQPNBOEARX-SNVBAGLBSA-N 1 0 381.723 2.865 20 0 GFADRO Cc1ccc(S(=O)(=O)CCC[NH2+][C@@H](C[S@](C)=O)c2ccccc2)cc1 ZINC000183176539 552302185 /nfs/dbraw/zinc/30/21/85/552302185.db2.gz IPENPZYHHQQRHC-CYFREDJKSA-N 1 0 379.547 2.868 20 0 GFADRO O=C1NCCN1C1CC[NH+](Cc2ccc(Br)c3cccnc23)CC1 ZINC000183253140 552304235 /nfs/dbraw/zinc/30/42/35/552304235.db2.gz YFWOXTWUYGUCJU-UHFFFAOYSA-N 1 0 389.297 2.987 20 0 GFADRO CC1(CNC(=O)c2c(F)cccc2I)CC[NH2+]CC1 ZINC000183308486 552305765 /nfs/dbraw/zinc/30/57/65/552305765.db2.gz ANSIDNBHUDEYJF-UHFFFAOYSA-N 1 0 376.213 2.550 20 0 GFADRO COc1cc(/C=C/C(=O)NC2CC[NH+](C3CC3)CC2)cc(Br)c1O ZINC000183340516 552306930 /nfs/dbraw/zinc/30/69/30/552306930.db2.gz URKPQRLNKFJAFZ-GORDUTHDSA-N 1 0 395.297 2.920 20 0 GFADRO O=C(NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1occc1Br ZINC000183430898 552309118 /nfs/dbraw/zinc/30/91/18/552309118.db2.gz KSJLKQDYSREGGL-CQSZACIVSA-N 1 0 379.254 2.539 20 0 GFADRO Cc1cc2cc(C(=O)N[C@H](C)CN3CC[NH+](C)CC3)oc2c(Br)c1 ZINC000183434608 552309203 /nfs/dbraw/zinc/30/92/03/552309203.db2.gz PFTFTYUQJCMOKT-CYBMUJFWSA-N 1 0 394.313 2.869 20 0 GFADRO COC(=O)[C@@H](c1cccc(Cl)c1Cl)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000183601626 552314505 /nfs/dbraw/zinc/31/45/05/552314505.db2.gz DXMROAIUVOSPKQ-SUMWQHHRSA-N 1 0 387.307 2.862 20 0 GFADRO C[C@H](NC(=O)C[NH2+][C@@H](CO)c1ccccc1)c1ccc(Br)cc1 ZINC000183634017 552314970 /nfs/dbraw/zinc/31/49/70/552314970.db2.gz MWIAHCGOKIBCOP-GUYCJALGSA-N 1 0 377.282 2.950 20 0 GFADRO C[NH+](C)CCn1c2cc(NCc3cncc(Br)c3)ccc2oc1=O ZINC000183741824 552318156 /nfs/dbraw/zinc/31/81/56/552318156.db2.gz SXNIHEHSJZZWLB-UHFFFAOYSA-N 1 0 391.269 2.926 20 0 GFADRO C[C@H](CCNC(=O)Nc1cc(Br)c(=O)n(C)c1)[NH+]1CCCCC1 ZINC000183890555 552321933 /nfs/dbraw/zinc/32/19/33/552321933.db2.gz OBAZZHZZBIXUOU-GFCCVEGCSA-N 1 0 385.306 2.534 20 0 GFADRO COc1cc(C)c(Br)cc1S(=O)(=O)NCC(C)(C)C[NH+](C)C ZINC000184087294 552327279 /nfs/dbraw/zinc/32/72/79/552327279.db2.gz IORVPKOOGOTXHK-UHFFFAOYSA-N 1 0 393.347 2.632 20 0 GFADRO Cc1c(Br)cccc1NC(=O)N[C@H](C)CC[NH+]1CCN(C)CC1 ZINC000184266450 552331253 /nfs/dbraw/zinc/33/12/53/552331253.db2.gz PTJJJIYIMFLLOY-CYBMUJFWSA-N 1 0 383.334 2.905 20 0 GFADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)C1(c2cccc(Br)c2)CC1 ZINC000184293263 552331665 /nfs/dbraw/zinc/33/16/65/552331665.db2.gz KUBUBGDXMBOREX-OAHLLOKOSA-N 1 0 394.357 2.623 20 0 GFADRO Cc1nn(C)cc1C[NH2+][C@@H]1CCN(c2ccc(Br)c(C)c2)C1=O ZINC000185189311 552356955 /nfs/dbraw/zinc/35/69/55/552356955.db2.gz UCCFJPCYSZBWOI-MRXNPFEDSA-N 1 0 377.286 2.695 20 0 GFADRO Cc1c(Cl)cc(S(=O)(=O)N[C@H](C)CCN2CC[NH+](C)CC2)cc1Cl ZINC000185336311 552360983 /nfs/dbraw/zinc/36/09/83/552360983.db2.gz IQZDNCZFLMYYPQ-GFCCVEGCSA-N 1 0 394.368 2.606 20 0 GFADRO Cc1nc(NC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)ccc1Br ZINC000185575509 552366292 /nfs/dbraw/zinc/36/62/92/552366292.db2.gz LRVSBTSOELUORI-ZDUSSCGKSA-N 1 0 385.306 2.631 20 0 GFADRO C[NH+](C)C1CCN(CCNC(=O)N2Cc3cccc(Br)c3C2)CC1 ZINC000185606143 552367008 /nfs/dbraw/zinc/36/70/08/552367008.db2.gz NKIPPRRMZRODLY-UHFFFAOYSA-N 1 0 395.345 2.500 20 0 GFADRO C[C@H]([NH2+]CC(=O)Nc1ccc(Br)cn1)[C@H]1COc2ccccc21 ZINC000185645743 552368289 /nfs/dbraw/zinc/36/82/89/552368289.db2.gz SEMIJUOERUYLMF-SMDDNHRTSA-N 1 0 376.254 2.937 20 0 GFADRO C[NH+](C)CCC1CCN(S(=O)(=O)c2ccc(F)c(Br)c2)CC1 ZINC000186312198 552385022 /nfs/dbraw/zinc/38/50/22/552385022.db2.gz OSYJZSVURFHYSD-UHFFFAOYSA-N 1 0 393.322 2.941 20 0 GFADRO C[C@@H](C[NH+]1CCCCCC1)NC(=O)C(=O)Nc1ccccc1Br ZINC000186653506 552393548 /nfs/dbraw/zinc/39/35/48/552393548.db2.gz IBNMFXWGEMUZKM-ZDUSSCGKSA-N 1 0 382.302 2.768 20 0 GFADRO CN(CC[N@H+](C)C1CC1)C(=O)c1ccc(F)cc1I ZINC000186747166 552396363 /nfs/dbraw/zinc/39/63/63/552396363.db2.gz SUBDOYLMLCPYHL-UHFFFAOYSA-N 1 0 376.213 2.597 20 0 GFADRO CN(CC[N@H+](C)C1CC1)Cc1noc(Cc2ccc(Br)cc2)n1 ZINC000186791097 552398299 /nfs/dbraw/zinc/39/82/99/552398299.db2.gz CWEOAYZRGDVQFS-UHFFFAOYSA-N 1 0 379.302 2.949 20 0 GFADRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)COc1ccc(Cl)c(Cl)c1 ZINC000186873850 552399959 /nfs/dbraw/zinc/39/99/59/552399959.db2.gz OAUXYYGKFJKRBX-GFCCVEGCSA-N 1 0 375.296 2.676 20 0 GFADRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)c1ccc(I)c(Cl)c1 ZINC000186877027 552400203 /nfs/dbraw/zinc/40/02/03/552400203.db2.gz KJONIBYCUAZUOL-PRHODGIISA-N 1 0 378.641 2.672 20 0 GFADRO CN(CCS(=O)(=O)c1cccc(Br)c1)CC1([NH+](C)C)CCC1 ZINC000186942758 552402703 /nfs/dbraw/zinc/40/27/03/552402703.db2.gz BQEKYXMZYBTYDB-UHFFFAOYSA-N 1 0 389.359 2.639 20 0 GFADRO C[C@H](NC(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1)c1ccccc1Br ZINC000187152751 552407809 /nfs/dbraw/zinc/40/78/09/552407809.db2.gz ISSHMIAZKNGFMM-KBPBESRZSA-N 1 0 398.345 2.997 20 0 GFADRO O=C(NCC[N@@H+]1CCCOCC1)NCC1(c2ccccc2Br)CC1 ZINC000187206283 552409338 /nfs/dbraw/zinc/40/93/38/552409338.db2.gz DYLWUHBDHOSQQJ-UHFFFAOYSA-N 1 0 396.329 2.502 20 0 GFADRO C[C@@H](NC(=O)c1c[nH+]ccc1N)c1cc2c(cc1Br)OCCO2 ZINC000187454823 552416050 /nfs/dbraw/zinc/41/60/50/552416050.db2.gz FOPLHNAUIYSYFA-SECBINFHSA-N 1 0 378.226 2.689 20 0 GFADRO Cc1cc(C)c(NC(=O)NCC2CC[NH+](CCO)CC2)cc1Br ZINC000187554559 552418849 /nfs/dbraw/zinc/41/88/49/552418849.db2.gz NNZTXFUFZSLPFV-UHFFFAOYSA-N 1 0 384.318 2.892 20 0 GFADRO CCO[C@@H]1C[C@]([NH3+])(C(=O)N2CCc3c(Br)cccc3C2)C1(C)C ZINC000187608441 552420126 /nfs/dbraw/zinc/42/01/26/552420126.db2.gz NFYVIJVWKCWRJV-QAPCUYQASA-N 1 0 381.314 2.866 20 0 GFADRO C[N@@H+]1CCCN(C(=O)C(=O)Nc2cccnc2-c2ccc(Cl)s2)CC1 ZINC000187682159 552422106 /nfs/dbraw/zinc/42/21/06/552422106.db2.gz QUCVSWPMWOIROY-UHFFFAOYSA-N 1 0 378.885 2.566 20 0 GFADRO Cc1cc(F)c(Br)cc1NC(=O)C(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000187879303 552427020 /nfs/dbraw/zinc/42/70/20/552427020.db2.gz YSAALVMFPLUWOZ-WDEREUQCSA-N 1 0 398.276 2.577 20 0 GFADRO Cc1ccc(CC(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)cc1Br ZINC000187886901 552427345 /nfs/dbraw/zinc/42/73/45/552427345.db2.gz CIFLZRUXUNLKNA-KRWDZBQOSA-N 1 0 395.341 2.871 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)NCC[NH+]2CCCCC2)cc1Br ZINC000188053684 552433029 /nfs/dbraw/zinc/43/30/29/552433029.db2.gz USOZJOUXYSDNRU-UHFFFAOYSA-N 1 0 382.302 2.607 20 0 GFADRO O=C(Cc1ccc(F)cc1Br)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000188157856 552437019 /nfs/dbraw/zinc/43/70/19/552437019.db2.gz GRYYGSYDPNCQNE-CQSZACIVSA-N 1 0 399.304 2.702 20 0 GFADRO COc1nc(C)c(Br)cc1C(=O)NC[C@H]1CC[N@H+](CC(C)C)C1 ZINC000188206112 552439158 /nfs/dbraw/zinc/43/91/58/552439158.db2.gz NYEMYEJPYSEPSZ-CYBMUJFWSA-N 1 0 384.318 2.869 20 0 GFADRO COC(=O)c1ccc(Cl)cc1S(=O)(=O)N[C@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000188228595 552439477 /nfs/dbraw/zinc/43/94/77/552439477.db2.gz RAQSCYRTAGNKJM-CHWSQXEVSA-N 1 0 388.917 2.525 20 0 GFADRO C[C@H](Cc1ccc(Br)cc1)[NH2+]C[C@H]1CCC[C@@H]1NS(C)(=O)=O ZINC000188305898 552442033 /nfs/dbraw/zinc/44/20/33/552442033.db2.gz LLKOPQNMOZAQJF-XPKDYRNWSA-N 1 0 389.359 2.688 20 0 GFADRO COc1cccc([C@@H](CNC(=O)c2ncc(Br)s2)[NH+](C)C)c1 ZINC000188841842 552456323 /nfs/dbraw/zinc/45/63/23/552456323.db2.gz SRUWSHJESMFRPF-GFCCVEGCSA-N 1 0 384.299 2.947 20 0 GFADRO C[C@H](Cn1cc(Br)cn1)[NH2+][C@@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000189039602 552461385 /nfs/dbraw/zinc/46/13/85/552461385.db2.gz DLWXVOFUJVMNLJ-MLGOLLRUSA-N 1 0 395.276 2.564 20 0 GFADRO CN(Cc1cccc(Br)c1OC[C@@H]1CCCO1)C(=O)C[NH+](C)C ZINC000189580977 552475526 /nfs/dbraw/zinc/47/55/26/552475526.db2.gz AURHITCNUYDYTQ-AWEZNQCLSA-N 1 0 385.302 2.527 20 0 GFADRO C[N@H+](Cc1cc2c(cc1Br)OCCCO2)CC1(O)CCOCC1 ZINC000189752426 552479281 /nfs/dbraw/zinc/47/92/81/552479281.db2.gz XGEGYLLPXACNKA-UHFFFAOYSA-N 1 0 386.286 2.584 20 0 GFADRO CCN(CCC[NH+](C)C)C(=O)C(=O)Nc1c(C)cc(Br)cc1C ZINC000189823763 552480788 /nfs/dbraw/zinc/48/07/88/552480788.db2.gz JDIRANJHSTVKSR-UHFFFAOYSA-N 1 0 384.318 2.805 20 0 GFADRO CCC[NH+]1CCC(CNC(=O)Nc2ccc(Cl)c(S(C)(=O)=O)c2)CC1 ZINC000189892618 552482330 /nfs/dbraw/zinc/48/23/30/552482330.db2.gz RSQNCQVMZFOUCG-UHFFFAOYSA-N 1 0 387.933 2.987 20 0 GFADRO C[C@H]1CN(C[C@H](O)COc2ccc(Cl)cc2Cl)CC[N@@H+]1CC(C)(C)O ZINC000189891624 552482339 /nfs/dbraw/zinc/48/23/39/552482339.db2.gz GDRNZZQGMHSFKW-ZFWWWQNUSA-N 1 0 391.339 2.510 20 0 GFADRO CCO[C@H]1C[C@@](CO)([NH2+]CC(=O)Nc2ccc(Br)cc2C)C1(C)C ZINC000190017200 552485459 /nfs/dbraw/zinc/48/54/59/552485459.db2.gz MWHJEPHFQLDURC-YJBOKZPZSA-N 1 0 399.329 2.852 20 0 GFADRO CC1(C)C[N@H+](CCC(=O)NC(=O)NCC(F)(F)F)CC[C@H]1C(F)(F)F ZINC000190197695 552490146 /nfs/dbraw/zinc/49/01/46/552490146.db2.gz YVTNAIPMUMEANS-SECBINFHSA-N 1 0 377.329 2.675 20 0 GFADRO Cc1c(Br)cccc1CC(=O)NC(C)(C)CC[NH+]1CCN(C)CC1 ZINC000190352272 552493194 /nfs/dbraw/zinc/49/31/94/552493194.db2.gz LDDYIQFYJFFHJA-UHFFFAOYSA-N 1 0 396.373 2.832 20 0 GFADRO CCNC(=O)CC[N@H+](C)Cc1cccc(Br)c1OC[C@H]1CCCO1 ZINC000190510406 552499566 /nfs/dbraw/zinc/49/95/66/552499566.db2.gz VNIDNCCEQSZRRX-OAHLLOKOSA-N 1 0 399.329 2.965 20 0 GFADRO COCC[N@H+](C)CCCNC(=O)Nc1cc(F)cc(F)c1Br ZINC000190610411 552502955 /nfs/dbraw/zinc/50/29/55/552502955.db2.gz WESDCYULNYTOGQ-UHFFFAOYSA-N 1 0 380.233 2.817 20 0 GFADRO CCN(CCC[NH+](CC)CC)C(=O)C(=O)Nc1cnc(Br)c(C)c1 ZINC000190654303 552504841 /nfs/dbraw/zinc/50/48/41/552504841.db2.gz SADYXMZAYXGKKF-UHFFFAOYSA-N 1 0 399.333 2.671 20 0 GFADRO Cc1cc(F)c(Br)cc1NC(=O)N[C@H](C)CN1CC[NH+](C)CC1 ZINC000190877580 552512125 /nfs/dbraw/zinc/51/21/25/552512125.db2.gz NRMGUBRBVRMDAU-GFCCVEGCSA-N 1 0 387.297 2.654 20 0 GFADRO C[C@@H]1CCC[N@H+](CCNC(=O)Cc2ccc(I)cc2)C1 ZINC000190889045 552512873 /nfs/dbraw/zinc/51/28/73/552512873.db2.gz WNEMRZKIOCSWTH-CYBMUJFWSA-N 1 0 386.277 2.682 20 0 GFADRO Cc1cc(C(F)(F)F)ccc1C[NH2+]C[C@@H](O)CS(=O)(=O)c1cccs1 ZINC000191041544 552517481 /nfs/dbraw/zinc/51/74/81/552517481.db2.gz YPXWYGYKLOKZKE-CQSZACIVSA-N 1 0 393.452 3.000 20 0 GFADRO Cn1cc([C@@H]2CSCCN2C[C@H](O)COCc2ccccc2Cl)cn1 ZINC000191203359 552521309 /nfs/dbraw/zinc/52/13/09/552521309.db2.gz VODYKLSZORGBBH-WMZOPIPTSA-N 1 0 381.929 2.741 20 0 GFADRO CCOC(=O)c1csc(C2CC[NH+](CCn3c(C)csc3=O)CC2)n1 ZINC000191567422 552531726 /nfs/dbraw/zinc/53/17/26/552531726.db2.gz SZCCSWJEGCJBER-UHFFFAOYSA-N 1 0 381.523 2.731 20 0 GFADRO CO[C@@H](C)[C@H](C)[NH2+][C@@H](C)C(=O)Nc1cccc(I)c1 ZINC000191704939 552535070 /nfs/dbraw/zinc/53/50/70/552535070.db2.gz LTGXAIYHUWLAEO-DCAQKATOSA-N 1 0 376.238 2.631 20 0 GFADRO Brc1ccc(C[N@@H+]2CC[C@@]3(CCOC3)C2)c(N2CCOCC2)c1 ZINC000191696552 552535268 /nfs/dbraw/zinc/53/52/68/552535268.db2.gz UQHAJKCEXMYAJO-GOSISDBHSA-N 1 0 381.314 2.898 20 0 GFADRO Cn1nc(Br)cc1C(=O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000191893637 552541810 /nfs/dbraw/zinc/54/18/10/552541810.db2.gz AIKLGEHMZYXVQB-UHFFFAOYSA-N 1 0 377.286 2.531 20 0 GFADRO C[C@@H]([NH3+])[C@@H](C)C(=O)Nc1ccc(Br)c(I)c1 ZINC000192037477 552547171 /nfs/dbraw/zinc/54/71/71/552547171.db2.gz ZDIHXAUHNYOBNO-RNFRBKRXSA-N 1 0 397.054 2.976 20 0 GFADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)c3scc(C)c3Br)C2)CC1 ZINC000192041663 552547401 /nfs/dbraw/zinc/54/74/01/552547401.db2.gz PUXWAQCLNMWLHI-CYBMUJFWSA-N 1 0 386.359 2.671 20 0 GFADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)c2cccc(Br)c2F)CC1 ZINC000192106260 552551006 /nfs/dbraw/zinc/55/10/06/552551006.db2.gz ZZAQXVBGSNHIDG-ZDUSSCGKSA-N 1 0 386.309 2.592 20 0 GFADRO Cn1nc(Br)cc1C(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000192241897 552557400 /nfs/dbraw/zinc/55/74/00/552557400.db2.gz NSABLOUWEXRFEC-UHFFFAOYSA-N 1 0 395.326 2.984 20 0 GFADRO CCC[NH+]1CCN(C(=O)Nc2cccc(C(=O)OC)c2Br)CC1 ZINC000192423588 552563251 /nfs/dbraw/zinc/56/32/51/552563251.db2.gz BQUJUEDQHJRAMU-UHFFFAOYSA-N 1 0 384.274 2.795 20 0 GFADRO COc1ccc(NC(=O)NC2CC[NH+](C)CC2)c(I)c1 ZINC000192432227 552563681 /nfs/dbraw/zinc/56/36/81/552563681.db2.gz XYXRFEHTWHCXBU-UHFFFAOYSA-N 1 0 389.237 2.516 20 0 GFADRO Cc1cc(NC(=O)C(=O)NC2CC[NH+](C3CC3)CC2)cc(C)c1Br ZINC000192449658 552564191 /nfs/dbraw/zinc/56/41/91/552564191.db2.gz PVRKYKBARBWEJL-UHFFFAOYSA-N 1 0 394.313 2.747 20 0 GFADRO C[NH+](C)CCN1CCC(NC(=O)Nc2ccc(Br)cc2F)CC1 ZINC000192513356 552565827 /nfs/dbraw/zinc/56/58/27/552565827.db2.gz BCGFFORGIABFKM-UHFFFAOYSA-N 1 0 387.297 2.736 20 0 GFADRO Cc1c(C(=O)N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)cnn1-c1cccc(Br)c1 ZINC000192514778 552566304 /nfs/dbraw/zinc/56/63/04/552566304.db2.gz UWVCNEUXVHFGEG-OKILXGFUSA-N 1 0 389.297 2.577 20 0 GFADRO C[C@H]1CCCC[C@]1(C[NH3+])NS(=O)(=O)Cc1ccc(Br)cc1 ZINC000193038656 552981119 /nfs/dbraw/zinc/98/11/19/552981119.db2.gz QBPIUMPLMPKLEM-SWLSCSKDSA-N 1 0 375.332 2.776 20 0 GFADRO O=C(NCC[NH+]1CCCC1)[C@@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 ZINC000193159998 552985285 /nfs/dbraw/zinc/98/52/85/552985285.db2.gz KSXJNPJKTUASGT-INIZCTEOSA-N 1 0 384.307 2.810 20 0 GFADRO COc1cc(Cl)c(S(=O)(=O)NCC[NH2+]C2CCCCCC2)cc1OC ZINC000193294410 552989540 /nfs/dbraw/zinc/98/95/40/552989540.db2.gz TUTLJNGOVWQRHG-UHFFFAOYSA-N 1 0 390.933 2.948 20 0 GFADRO COC[C@@H]([NH2+]C[C@@H](O)c1ccc(S(C)(=O)=O)cc1)c1ccc(Cl)cc1 ZINC000193668942 552999843 /nfs/dbraw/zinc/99/98/43/552999843.db2.gz IBMSQMVWXRLQFN-QZTJIDSGSA-N 1 0 383.897 2.754 20 0 GFADRO C[C@H](CC(=O)Nc1ccc(Br)cc1)NCc1nnc2n1CCCC2 ZINC000193851513 553004671 /nfs/dbraw/zinc/00/46/71/553004671.db2.gz YMNQMTOAJNIRRI-GFCCVEGCSA-N 1 0 392.301 2.884 20 0 GFADRO COc1cc(C[NH2+][C@H](CO)C(C)(C)C)cc(I)c1OC ZINC000194638818 553025829 /nfs/dbraw/zinc/02/58/29/553025829.db2.gz KBQWDFUQLHBJRV-CYBMUJFWSA-N 1 0 393.265 2.805 20 0 GFADRO C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl ZINC000194704134 553027624 /nfs/dbraw/zinc/02/76/24/553027624.db2.gz FIGKGIAYFHHWPQ-BBRMVZONSA-N 1 0 384.307 2.808 20 0 GFADRO [NH3+]CCc1nc(C(=O)N2CCO[C@H](c3cccc(Br)c3)C2)cs1 ZINC000194792098 553029676 /nfs/dbraw/zinc/02/96/76/553029676.db2.gz DKJTTXSLKRMPKV-AWEZNQCLSA-N 1 0 396.310 2.621 20 0 GFADRO O=C(c1csc(-c2ccc(Br)s2)n1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000195244888 553042539 /nfs/dbraw/zinc/04/25/39/553042539.db2.gz AXWDPAGRXBLVIR-DTORHVGOSA-N 1 0 384.324 2.926 20 0 GFADRO COc1ccc(S(=O)(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)cn1 ZINC000195301299 553044358 /nfs/dbraw/zinc/04/43/58/553044358.db2.gz FXLILMUXBUMBAB-SUMWQHHRSA-N 1 0 381.523 2.513 20 0 GFADRO COc1cc(Br)ccc1C(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000195334909 553045502 /nfs/dbraw/zinc/04/55/02/553045502.db2.gz LXMXSRRFSBEUPK-CQSZACIVSA-N 1 0 385.302 2.544 20 0 GFADRO C[NH+](C)CCN(Cc1ccc(F)cc1F)S(=O)(=O)CCc1cccs1 ZINC000195359733 553046283 /nfs/dbraw/zinc/04/62/83/553046283.db2.gz AIYFBJURYYSYHZ-UHFFFAOYSA-N 1 0 388.505 2.962 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)c2cc(Cl)ccc2I)C1 ZINC000226544016 553061706 /nfs/dbraw/zinc/06/17/06/553061706.db2.gz NNSYVSXVUOZBHO-RKDXNWHRSA-N 1 0 378.641 2.754 20 0 GFADRO Cc1sc(Br)cc1S(=O)(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000227316698 553062642 /nfs/dbraw/zinc/06/26/42/553062642.db2.gz WOCRBXIXDAWUQP-QWRGUYRKSA-N 1 0 379.345 2.724 20 0 GFADRO CO[C@@H]1CCN(Cc2ncc(Br)cc2Br)[C@@H](C[NH3+])C1 ZINC000228263394 553063429 /nfs/dbraw/zinc/06/34/29/553063429.db2.gz CQEQULJBDIKMRC-GHMZBOCLSA-N 1 0 393.123 2.545 20 0 GFADRO CC(C)NC(=O)[C@H](C)NCc1ncc(Br)cc1Br ZINC000228947730 553063787 /nfs/dbraw/zinc/06/37/87/553063787.db2.gz MHHPXCOWUKROSF-QMMMGPOBSA-N 1 0 379.096 2.609 20 0 GFADRO C[NH+]1CCC(CCNS(=O)(=O)c2ccc(Br)c(F)c2)CC1 ZINC000230607700 553064827 /nfs/dbraw/zinc/06/48/27/553064827.db2.gz MJNWTDCIABIIBD-UHFFFAOYSA-N 1 0 379.295 2.598 20 0 GFADRO C[NH+](C)C[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)c(Br)c1 ZINC000234245084 553067427 /nfs/dbraw/zinc/06/74/27/553067427.db2.gz ZNOOEYRQMULJTN-JTQLQIEISA-N 1 0 381.723 2.817 20 0 GFADRO [NH3+]CC[C@@H]1CCCCN1C(=O)c1ccc(F)cc1I ZINC000236274048 553068395 /nfs/dbraw/zinc/06/83/95/553068395.db2.gz IYXXKKXXEBFRCS-NSHDSACASA-N 1 0 376.213 2.774 20 0 GFADRO CC(C)C[C@H]([NH3+])C(=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000236664574 553070277 /nfs/dbraw/zinc/07/02/77/553070277.db2.gz ZDFPZYCONAUWCH-ZDUSSCGKSA-N 1 0 378.826 2.776 20 0 GFADRO Cc1c(C(=O)N[C@](C)(C[NH3+])CC(C)C)nnn1-c1cccc(Br)c1 ZINC000236717554 553070757 /nfs/dbraw/zinc/07/07/57/553070757.db2.gz AOKNBTWVXXUCPX-KRWDZBQOSA-N 1 0 394.317 2.832 20 0 GFADRO O=C(N[C@H](c1ccccc1)c1ccc(Br)cc1)[C@@H]1C[NH2+]CCO1 ZINC000236745016 553070908 /nfs/dbraw/zinc/07/09/08/553070908.db2.gz ZWIKMMZCLFGKJK-DLBZAZTESA-N 1 0 375.266 2.643 20 0 GFADRO O=C(NCCOc1ccc(Br)cc1)[C@H]1[NH2+]CCc2ccccc21 ZINC000236730868 553071150 /nfs/dbraw/zinc/07/11/50/553071150.db2.gz MQQZTXHJFVFPMF-KRWDZBQOSA-N 1 0 375.266 2.831 20 0 GFADRO CCC[NH2+]CCNC(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000236791563 553071627 /nfs/dbraw/zinc/07/16/27/553071627.db2.gz QDFYRRRTEGEREK-CQSZACIVSA-N 1 0 386.323 2.961 20 0 GFADRO CCOc1ccc(S(=O)(=O)NC[C@@H]([NH3+])c2ccccc2)cc1Br ZINC000236864524 553072072 /nfs/dbraw/zinc/07/20/72/553072072.db2.gz WOJNPPNAVVLZJQ-OAHLLOKOSA-N 1 0 399.310 2.826 20 0 GFADRO CCOc1ccc(S(=O)(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])cc1Br ZINC000236865515 553072113 /nfs/dbraw/zinc/07/21/13/553072113.db2.gz VUPUPAIKDSNPPN-BXUZGUMPSA-N 1 0 391.331 2.644 20 0 GFADRO CC[NH+](CC)[C@@H](CNC(=O)[C@H]1CSCN1)c1ccc(C(F)(F)F)cc1 ZINC000236836337 553072120 /nfs/dbraw/zinc/07/21/20/553072120.db2.gz CAVLTGHCKXWIES-CABCVRRESA-N 1 0 375.460 2.867 20 0 GFADRO CC[C@@H](C)[C@H]([NH3+])C(=O)N1CCC(C(=O)Nc2ccccc2Br)CC1 ZINC000236891988 553072977 /nfs/dbraw/zinc/07/29/77/553072977.db2.gz XKGPDSCOFXSIBQ-WBMJQRKESA-N 1 0 396.329 3.000 20 0 GFADRO COc1cc(C)c(Br)cc1S(=O)(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000237095597 553074971 /nfs/dbraw/zinc/07/49/71/553074971.db2.gz ZRSPHLCRMCEVKB-AWEZNQCLSA-N 1 0 399.310 2.744 20 0 GFADRO C[NH2+]C[C@H]1CCCN1C(=O)CCC[S@](=O)c1ccc(Br)cc1 ZINC000237218436 553076148 /nfs/dbraw/zinc/07/61/48/553076148.db2.gz DERDQIUHFRETPZ-PEBXRYMYSA-N 1 0 387.343 2.547 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CCCN(S(=O)(=O)c2ccc(Br)c(Cl)c2)C1 ZINC000237328381 553076684 /nfs/dbraw/zinc/07/66/84/553076684.db2.gz XQQTZSPTRSJZFS-ZJUUUORDSA-N 1 0 381.723 2.850 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CCCN(S(=O)(=O)c2c(Cl)cc(F)cc2Br)C1 ZINC000237326943 553076418 /nfs/dbraw/zinc/07/64/18/553076418.db2.gz UKSMLYZJCBEFSK-BDAKNGLRSA-N 1 0 399.713 2.990 20 0 GFADRO C[C@@H](Cc1ccc(F)c(Br)c1)NC(=O)C[C@H]1CSCC[NH2+]1 ZINC000237326847 553076539 /nfs/dbraw/zinc/07/65/39/553076539.db2.gz YPTSLAMWOBKISZ-JQWIXIFHSA-N 1 0 375.307 2.731 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCCN(S(=O)(=O)c2c(Cl)cc(F)cc2Br)C1 ZINC000237478402 553078414 /nfs/dbraw/zinc/07/84/14/553078414.db2.gz UKSMLYZJCBEFSK-DTWKUNHWSA-N 1 0 399.713 2.990 20 0 GFADRO C[C@H]1C[C@H]([NH3+])CCN1S(=O)(=O)c1c(Cl)cc(F)cc1Br ZINC000237633626 553079954 /nfs/dbraw/zinc/07/99/54/553079954.db2.gz KVNLOIVREXQAQP-IONNQARKSA-N 1 0 385.686 2.742 20 0 GFADRO O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CCC([NH2+]CC2CC2)CC1 ZINC000237741285 553081052 /nfs/dbraw/zinc/08/10/52/553081052.db2.gz OCSWJFLEVOCZHC-UHFFFAOYSA-N 1 0 378.416 2.738 20 0 GFADRO Cc1c(C(=O)N2CCCC[C@@H]2C[NH3+])cnn1-c1ccc(Br)cc1 ZINC000237740122 553081196 /nfs/dbraw/zinc/08/11/96/553081196.db2.gz LOOWGWIQUJLHLG-OAHLLOKOSA-N 1 0 377.286 2.897 20 0 GFADRO Cc1c(C(=O)Nc2ccc(C)c(Br)c2)nnn1C1CC[NH2+]CC1 ZINC000237728823 553081228 /nfs/dbraw/zinc/08/12/28/553081228.db2.gz JROVBPUXVGFMQA-UHFFFAOYSA-N 1 0 378.274 2.834 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)C1(C[NH3+])CCCC1 ZINC000237784794 553081615 /nfs/dbraw/zinc/08/16/15/553081615.db2.gz IWPHZOAQWWPMHV-UHFFFAOYSA-N 1 0 382.302 2.721 20 0 GFADRO Cc1cc(NC(=O)C[C@@H]2CSCC[NH2+]2)n(-c2cccc(Br)c2)n1 ZINC000237806918 553082310 /nfs/dbraw/zinc/08/23/10/553082310.db2.gz PTRCDZHNKGBPRD-CYBMUJFWSA-N 1 0 395.326 2.977 20 0 GFADRO O=C(NC[C@H]1CCCC[NH2+]1)[C@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 ZINC000237833374 553082760 /nfs/dbraw/zinc/08/27/60/553082760.db2.gz AACQSHMWEITVMO-HZPDHXFCSA-N 1 0 384.307 2.856 20 0 GFADRO O=C(NC[C@H]1CCCN(C(=O)c2cccc(Cl)c2Cl)C1)[C@@H]1CCC[NH2+]1 ZINC000237837367 553082906 /nfs/dbraw/zinc/08/29/06/553082906.db2.gz PNEDXHJKHHCRIG-DOMZBBRYSA-N 1 0 384.307 2.714 20 0 GFADRO O=C([C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000237847888 553082918 /nfs/dbraw/zinc/08/29/18/553082918.db2.gz TWRHUBJNQBRLMN-RCBQFDQVSA-N 1 0 383.323 2.958 20 0 GFADRO [NH3+]C1(C(=O)N2CCC(C(=O)Nc3ccc(Br)cc3)CC2)CCCC1 ZINC000237878089 553083379 /nfs/dbraw/zinc/08/33/79/553083379.db2.gz RTNVNBWSFVPLKL-UHFFFAOYSA-N 1 0 394.313 2.898 20 0 GFADRO [NH3+][C@H]1CCC[C@@H](C(=O)N2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)C1 ZINC000238007819 553085290 /nfs/dbraw/zinc/08/52/90/553085290.db2.gz BTPMZQBCJLEBLC-OCCSQVGLSA-N 1 0 384.307 2.795 20 0 GFADRO OC1CC[NH+](CCCNCC2=Cc3cc(Br)ccc3OC2)CC1 ZINC000238149335 553086248 /nfs/dbraw/zinc/08/62/48/553086248.db2.gz ZBHNDWHEEIHYIL-UHFFFAOYSA-N 1 0 381.314 2.661 20 0 GFADRO CC(C)N1CC[C@H](NC(=O)[C@@]2(O)CCSC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245567049 553092685 /nfs/dbraw/zinc/09/26/85/553092685.db2.gz RRQLMRQEFSYGCJ-LZLYRXPVSA-N 1 0 386.920 2.987 20 0 GFADRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)NCCOc2ccc(Br)cc2)C1 ZINC000246056970 553101650 /nfs/dbraw/zinc/10/16/50/553101650.db2.gz YTAGIDWYBBRTFA-YOEHRIQHSA-N 1 0 396.329 2.954 20 0 GFADRO O=C(CC[N@@H+]1CCO[C@@H]([C@H]2CCCO2)C1)Nc1cccc(Br)c1 ZINC000246255123 553105271 /nfs/dbraw/zinc/10/52/71/553105271.db2.gz PWQUKNSGXVKCTD-HZPDHXFCSA-N 1 0 383.286 2.658 20 0 GFADRO CC[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccc(Cl)c(S(=O)(=O)N(C)C)c2)C1 ZINC000246307084 553105751 /nfs/dbraw/zinc/10/57/51/553105751.db2.gz VXMAJYYCBIGLKT-CHWSQXEVSA-N 1 0 387.933 2.649 20 0 GFADRO COC(=O)[C@@H](C)C[N@H+](C)[C@H](C)C(=O)N(C)Cc1ccc(Br)cc1 ZINC000246333646 553106536 /nfs/dbraw/zinc/10/65/36/553106536.db2.gz IIRYETZFMIOQHO-QWHCGFSZSA-N 1 0 385.302 2.537 20 0 GFADRO Cn1ncc2c1CCC[C@H]2[N@H+](C)C[C@@H](O)COc1ccc(Br)cc1 ZINC000246379680 553107371 /nfs/dbraw/zinc/10/73/71/553107371.db2.gz ZILLMQRWPPTFBG-RHSMWYFYSA-N 1 0 394.313 2.932 20 0 GFADRO CC(=O)N1CC[C@@H](C[N@H+](C)C[C@@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000246829228 553113622 /nfs/dbraw/zinc/11/36/22/553113622.db2.gz QEFRKQBKTXRAGL-DZGCQCFKSA-N 1 0 375.296 2.533 20 0 GFADRO COc1ccc(Br)cc1CC(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000246878632 553115017 /nfs/dbraw/zinc/11/50/17/553115017.db2.gz UUXHXNAIFBSBJZ-BBRMVZONSA-N 1 0 381.314 2.943 20 0 GFADRO C[N@@H+]1CCC[C@H](CNC(=O)N[C@H]2CCN(c3ccccc3Br)C2)C1 ZINC000247482312 553122779 /nfs/dbraw/zinc/12/27/79/553122779.db2.gz JUAGBBSGJPUXSO-CABCVRRESA-N 1 0 395.345 2.669 20 0 GFADRO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C[C@H]1Sc2ccc(Cl)cc2NC1=O ZINC000247550193 553123863 /nfs/dbraw/zinc/12/38/63/553123863.db2.gz ZERONSRGJCGPLL-PVXIVEMSSA-N 1 0 379.913 2.838 20 0 GFADRO C[N@@H+]1CCC[C@@H]2C[NH+](C[C@@H](O)COc3ccc(Br)cc3)CC[C@H]21 ZINC000247883452 553126381 /nfs/dbraw/zinc/12/63/81/553126381.db2.gz CHOBRQITMZYPQT-QGPMSJSTSA-N 1 0 383.330 2.605 20 0 GFADRO C[C@H](C[S@](C)=O)[N@H+](C)C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000248614844 553131758 /nfs/dbraw/zinc/13/17/58/553131758.db2.gz JUPXPDMIKOHPON-VPOQAHPWSA-N 1 0 398.750 2.541 20 0 GFADRO O[C@H]1C[C@@H](C[NH2+]Cc2cncc(Br)c2)N(Cc2ccccc2)C1 ZINC000248633136 553132366 /nfs/dbraw/zinc/13/23/66/553132366.db2.gz SZJAGSQAUVSORN-ROUUACIJSA-N 1 0 376.298 2.569 20 0 GFADRO Cc1cc(NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C)C[C@H]2C)cc(C)c1Br ZINC000248659279 553132395 /nfs/dbraw/zinc/13/23/95/553132395.db2.gz GMJKCJFVVPKXCX-HIFRSBDPSA-N 1 0 396.329 2.803 20 0 GFADRO C[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)c(Br)c2)[C@H]1C[NH3+] ZINC000248734639 553133890 /nfs/dbraw/zinc/13/38/90/553133890.db2.gz BOWSVMMGCRIZOD-RNCFNFMXSA-N 1 0 381.723 2.850 20 0 GFADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2ncc(Br)s2)[C@@H](C)C1 ZINC000249035043 553137701 /nfs/dbraw/zinc/13/77/01/553137701.db2.gz XAFDRWKNCURMMO-RYUDHWBXSA-N 1 0 390.347 2.772 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(Br)cc2C)[C@@H](C)C1 ZINC000249113809 553139585 /nfs/dbraw/zinc/13/95/85/553139585.db2.gz AYSVNOVEZBARQN-BBRMVZONSA-N 1 0 396.329 2.885 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2cccc(C)c2Br)[C@@H](C)C1 ZINC000249160262 553140097 /nfs/dbraw/zinc/14/00/97/553140097.db2.gz JCRFGLKZFKKLCG-ZFWWWQNUSA-N 1 0 396.329 2.885 20 0 GFADRO COc1cc(Br)ccc1CCCN1CC[N@H+](C[C@H](C)O)C[C@@H]1C ZINC000249295266 553141795 /nfs/dbraw/zinc/14/17/95/553141795.db2.gz QWKUAVFEZCHHPZ-GJZGRUSLSA-N 1 0 385.346 2.777 20 0 GFADRO O[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@@H+]2Cc1cc2c(cc1Br)OCCCO2 ZINC000249423291 553142716 /nfs/dbraw/zinc/14/27/16/553142716.db2.gz DLORUWIOGPLKDJ-OCBAZWNDSA-N 1 0 380.282 2.812 20 0 GFADRO C[C@@H](NC(=O)CN1CCC[C@H]1C(=O)NC1CC1)c1ccc(Cl)c(Cl)c1 ZINC000249745824 553146192 /nfs/dbraw/zinc/14/61/92/553146192.db2.gz MQDGMCAPNKMWBT-BZNIZROVSA-N 1 0 384.307 2.914 20 0 GFADRO O=C(C[C@@H]1Sc2ccc(Cl)cc2NC1=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000250303800 553147191 /nfs/dbraw/zinc/14/71/91/553147191.db2.gz ZLBKAQHAITZNMT-BBRMVZONSA-N 1 0 379.913 2.840 20 0 GFADRO COc1cc(Br)ccc1CNC(=O)N(C)[C@@H]1CC[N@H+](C)C[C@H]1C ZINC000253204040 553150813 /nfs/dbraw/zinc/15/08/13/553150813.db2.gz HQCWFELJBNIISG-IUODEOHRSA-N 1 0 384.318 2.939 20 0 GFADRO C[C@H]1CCN(C(=O)CN2CCN(Cc3ccc(Br)cc3F)CC2)C1 ZINC000261445081 553153445 /nfs/dbraw/zinc/15/34/45/553153445.db2.gz JUMWHZUSERALRD-AWEZNQCLSA-N 1 0 398.320 2.574 20 0 GFADRO C[C@@H]1CC[NH2+][C@@H](C)[C@H]1NC(=O)c1ccc(F)cc1I ZINC000261599314 553154025 /nfs/dbraw/zinc/15/40/25/553154025.db2.gz PMEAQYNTPMXVIZ-ZDMBXUJBSA-N 1 0 376.213 2.547 20 0 GFADRO Cc1cccc(C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c1I ZINC000261632351 553154550 /nfs/dbraw/zinc/15/45/50/553154550.db2.gz DAAALZLKRKNIAW-FPMFFAJLSA-N 1 0 384.261 2.799 20 0 GFADRO [NH3+][C@@H]1CCC[C@H]1CC(=O)Nc1ncn(Cc2cccc(Br)c2)n1 ZINC000261619345 553154554 /nfs/dbraw/zinc/15/45/54/553154554.db2.gz AQFUKHSTBHREAZ-GXTWGEPZSA-N 1 0 378.274 2.545 20 0 GFADRO CCO[C@H]1C[C@@]([NH3+])(C(=O)N(C)Cc2cc(Br)ccc2OC)C1(C)C ZINC000261638213 553155069 /nfs/dbraw/zinc/15/50/69/553155069.db2.gz IDMZUMIDOQBJHA-MAUKXSAKSA-N 1 0 399.329 2.949 20 0 GFADRO CCO[C@@H]1C[C@@]([NH3+])(C(=O)N(C)Cc2cc(Br)ccc2OC)C1(C)C ZINC000261638209 553155167 /nfs/dbraw/zinc/15/51/67/553155167.db2.gz IDMZUMIDOQBJHA-CRAIPNDOSA-N 1 0 399.329 2.949 20 0 GFADRO O=C(c1csc(I)c1)N1CCC2(CC[NH2+]CC2)CC1 ZINC000261658546 553155334 /nfs/dbraw/zinc/15/53/34/553155334.db2.gz YVSSFAUOEDLZJV-UHFFFAOYSA-N 1 0 390.290 2.959 20 0 GFADRO Cc1cc(C)c(CNC(=O)[C@](C)([NH3+])c2ccc(Br)cc2)c(=O)[nH]1 ZINC000261651677 553155366 /nfs/dbraw/zinc/15/53/66/553155366.db2.gz DNKPCZWSSRHJJJ-QGZVFWFLSA-N 1 0 378.270 2.657 20 0 GFADRO [NH3+][C@@H]1CCC[C@H]1CC(=O)NCc1nnc2c(Cl)cc(C(F)(F)F)cn12 ZINC000261730989 553157393 /nfs/dbraw/zinc/15/73/93/553157393.db2.gz KVXYIZGRVPFVBZ-GZMMTYOYSA-N 1 0 375.782 2.535 20 0 GFADRO O=C(CC[C@@H]1CC[NH2+]C1)N1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000261756105 553157863 /nfs/dbraw/zinc/15/78/63/553157863.db2.gz HPWVYOFWDFUPRY-CYBMUJFWSA-N 1 0 384.307 2.668 20 0 GFADRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2ccccc2Br)C[C@H]1c1ccccc1 ZINC000261769451 553158512 /nfs/dbraw/zinc/15/85/12/553158512.db2.gz RZIFKZQFSQPEBY-CABCVRRESA-N 1 0 395.322 2.812 20 0 GFADRO O=C(CN1CC[C@H](N2CC[NH2+]CC2)C1)Nc1cc(Cl)c(Cl)cc1Cl ZINC000261777507 553159311 /nfs/dbraw/zinc/15/93/11/553159311.db2.gz XMKQPVHVHIVPLK-NSHDSACASA-N 1 0 391.730 2.565 20 0 GFADRO Cc1cc(F)c(Br)cc1S(=O)(=O)N1CCCC[C@H]1[C@H](C)[NH3+] ZINC000261885884 553161565 /nfs/dbraw/zinc/16/15/65/553161565.db2.gz UVSDCZPWGSXUKV-GWCFXTLKSA-N 1 0 379.295 2.787 20 0 GFADRO C[NH2+][C@@H](C)Cc1noc([C@@H]2CCCN2C(=O)c2ccc(Br)cc2)n1 ZINC000261904050 553162292 /nfs/dbraw/zinc/16/22/92/553162292.db2.gz YVKSLRAEBRQKPE-FZMZJTMJSA-N 1 0 393.285 2.960 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)CC[C@@H]1CC[NH2+]C1 ZINC000261890380 553162295 /nfs/dbraw/zinc/16/22/95/553162295.db2.gz WGGRHQXJYAWRDI-CYBMUJFWSA-N 1 0 382.302 2.544 20 0 GFADRO C[C@H]1CSc2ccc(Br)cc2[C@H]1NC(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000261912294 553162440 /nfs/dbraw/zinc/16/24/40/553162440.db2.gz XTLJIGAFKMXWCE-PWXJCGIASA-N 1 0 385.327 2.855 20 0 GFADRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)[C@@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1 ZINC000261914272 553162970 /nfs/dbraw/zinc/16/29/70/553162970.db2.gz YOTOEOIVOOKUCD-HSMVNMDESA-N 1 0 384.307 2.794 20 0 GFADRO COc1ccc(CCC(=O)N2CCC3(CC[NH2+]C3)CC2)cc1Br ZINC000261927644 553163069 /nfs/dbraw/zinc/16/30/69/553163069.db2.gz ZONNMMUGQJIIFF-UHFFFAOYSA-N 1 0 381.314 2.992 20 0 GFADRO C[C@H](Sc1ccc(Cl)cc1)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000262043798 553164779 /nfs/dbraw/zinc/16/47/79/553164779.db2.gz QKXRQWMZYYWJHB-FZMZJTMJSA-N 1 0 395.878 2.773 20 0 GFADRO C[C@H]1CCCN(S(=O)(=O)c2cccc(Br)c2Cl)[C@H]1C[NH3+] ZINC000262126609 553166467 /nfs/dbraw/zinc/16/64/67/553166467.db2.gz WIZZTPRUPKCOQN-ONGXEEELSA-N 1 0 381.723 2.850 20 0 GFADRO O=S(=O)(c1c(Cl)cc(F)cc1Br)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262151473 553166626 /nfs/dbraw/zinc/16/66/26/553166626.db2.gz RQTJAODLARQDHD-ZJUUUORDSA-N 1 0 397.697 2.757 20 0 GFADRO C[C@@]1(C[NH3+])CCN(C(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)C1 ZINC000262181441 553166880 /nfs/dbraw/zinc/16/68/80/553166880.db2.gz ZDNDRAMGDIDFAC-YJBOKZPZSA-N 1 0 384.307 2.795 20 0 GFADRO C[NH2+][C@H](C(=O)N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1)c1cnn(C)c1 ZINC000262182509 553167130 /nfs/dbraw/zinc/16/71/30/553167130.db2.gz LEBORIGSRMUFKC-CVEARBPZSA-N 1 0 383.279 2.588 20 0 GFADRO [NH3+]CCc1nc(C(=O)Nc2ccc(OCC(F)(F)C(F)F)nc2)cs1 ZINC000262356373 553170035 /nfs/dbraw/zinc/17/00/35/553170035.db2.gz JMEWQZKXMAANOY-UHFFFAOYSA-N 1 0 378.351 2.571 20 0 GFADRO O=C(Nc1ccc(C(=O)N2CCC[NH2+]CC2)cc1)c1ccc(Br)o1 ZINC000262466806 553171383 /nfs/dbraw/zinc/17/13/83/553171383.db2.gz DWWLUFHCUUXWSA-UHFFFAOYSA-N 1 0 392.253 2.730 20 0 GFADRO O=C([C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1)N1CCC(n2cc(Br)cn2)CC1 ZINC000262465512 553171453 /nfs/dbraw/zinc/17/14/53/553171453.db2.gz LXXNZLWAWHFMKU-MAZHCROVSA-N 1 0 381.318 2.730 20 0 GFADRO CC[NH2+][C@H](C)CNC(=O)c1cnn(-c2ccc(Br)cc2)c1CC ZINC000262504883 553171771 /nfs/dbraw/zinc/17/17/71/553171771.db2.gz ZPQVUTWECCWISJ-GFCCVEGCSA-N 1 0 379.302 2.925 20 0 GFADRO C[NH2+]C[C@@H]1CCN(C(=O)[C@@H](CCOC)Cc2cccc(Br)c2)C1 ZINC000262583930 553172842 /nfs/dbraw/zinc/17/28/42/553172842.db2.gz SDVIIYDBYKXTLN-HOTGVXAUSA-N 1 0 383.330 2.712 20 0 GFADRO O=C(NCC[C@@H]1CC[NH2+]C1)[C@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 ZINC000262589016 553173059 /nfs/dbraw/zinc/17/30/59/553173059.db2.gz QFMUWLNFMTXSRO-BLLLJJGKSA-N 1 0 384.307 2.714 20 0 GFADRO O=C([C@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262624182 553173648 /nfs/dbraw/zinc/17/36/48/553173648.db2.gz KDDYDIUCDZHPLB-GLQYFDAESA-N 1 0 382.291 2.699 20 0 GFADRO O=S(=O)(NCC[C@H]1CCC[NH2+]C1)c1cccc(Cl)c1Br ZINC000262765618 553175039 /nfs/dbraw/zinc/17/50/39/553175039.db2.gz KRUUZURGNXNBEP-SNVBAGLBSA-N 1 0 381.723 2.771 20 0 GFADRO O=C(NC1(c2cccc(Br)c2)CC1)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000262767112 553175304 /nfs/dbraw/zinc/17/53/04/553175304.db2.gz MANFXZGSWCKYJN-OAHLLOKOSA-N 1 0 389.297 2.989 20 0 GFADRO CCCC[C@@H](C[NH3+])NS(=O)(=O)c1cc(Cl)ccc1O[C@H](C)COC ZINC000262787545 553175811 /nfs/dbraw/zinc/17/58/11/553175811.db2.gz QVBVKUUTVNMZGI-OCCSQVGLSA-N 1 0 378.922 2.550 20 0 GFADRO C[C@@]([NH3+])(C(=O)N1CCC(n2cc(Br)cn2)CC1)c1ccccc1 ZINC000262828315 553176738 /nfs/dbraw/zinc/17/67/38/553176738.db2.gz ZBTUXALPDMOFPH-KRWDZBQOSA-N 1 0 377.286 2.683 20 0 GFADRO O=C(NCCc1ccc(Br)s1)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000262876393 553177732 /nfs/dbraw/zinc/17/77/32/553177732.db2.gz YJQVAMDDRXGLOV-NSHDSACASA-N 1 0 383.315 2.604 20 0 GFADRO Cc1cc(NC(=O)CNC(=O)[C@@H]2CCCC[C@@]2(C)[NH3+])ccc1Br ZINC000263232513 553184983 /nfs/dbraw/zinc/18/49/83/553184983.db2.gz NOVUXECKCRAFHR-SUMWQHHRSA-N 1 0 382.302 2.720 20 0 GFADRO CSc1ccc(Cl)c(C(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)c1 ZINC000263663333 553190596 /nfs/dbraw/zinc/19/05/96/553190596.db2.gz HHTMQCTUKSBIMC-INIZCTEOSA-N 1 0 383.945 2.734 20 0 GFADRO COc1c(Cl)cc(NC(=O)C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)cc1Cl ZINC000263718366 553191995 /nfs/dbraw/zinc/19/19/95/553191995.db2.gz RWYHZICFOBWZCR-JTQLQIEISA-N 1 0 386.279 2.541 20 0 GFADRO Cc1cc(CNC(=O)N[C@@H]2CC[C@H](C[NH3+])C2)ccc1I ZINC000418145030 563900027 /nfs/dbraw/zinc/90/00/27/563900027.db2.gz WMLFLPOYUPJWLC-WCQYABFASA-N 1 0 387.265 2.526 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2nc(C)c(Br)s2)C[C@@H]1C ZINC000538939799 564205753 /nfs/dbraw/zinc/20/57/53/564205753.db2.gz FFUOTJKATJBTON-GXSJLCMTSA-N 1 0 396.376 2.707 20 0 GFADRO C[C@@H]1[C@H](C)N(C[C@@H](O)COc2ccc(Cl)cc2Br)CC[N@H+]1C ZINC000540045813 564237840 /nfs/dbraw/zinc/23/78/40/564237840.db2.gz XWTHMFSZHVOVKA-MBNYWOFBSA-N 1 0 391.737 2.867 20 0 GFADRO C[C@H](CC[NH+](C)C)NC(=O)NC(C)(C)COc1ncccc1Br ZINC000541819420 564290863 /nfs/dbraw/zinc/29/08/63/564290863.db2.gz RMRPVPVENSCZEE-GFCCVEGCSA-N 1 0 387.322 2.641 20 0 GFADRO COc1ccc(Br)c(S(=O)(=O)NC(C)(C)CCC[NH+](C)C)c1 ZINC000451896946 564363138 /nfs/dbraw/zinc/36/31/38/564363138.db2.gz VLCKLOOMGCQEBJ-UHFFFAOYSA-N 1 0 393.347 2.856 20 0 GFADRO CC[C@H]([NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1)[C@@H](O)C(C)C ZINC000567734680 564386037 /nfs/dbraw/zinc/38/60/37/564386037.db2.gz UEQDGTQHLLLSMD-KBMXLJTQSA-N 1 0 378.282 2.713 20 0 GFADRO C[C@@H](C(=O)N1C[C@@H](C[NH3+])C2(C1)CCOCC2)c1ccc(Br)s1 ZINC000567846727 564391454 /nfs/dbraw/zinc/39/14/54/564391454.db2.gz OAHYNGCCSLPBLN-VXGBXAGGSA-N 1 0 387.343 2.828 20 0 GFADRO O=C(N[C@@H]1CCC[N@@H+](CCCO)C1)c1cc(Cl)cc(Br)c1F ZINC000452383103 564411744 /nfs/dbraw/zinc/41/17/44/564411744.db2.gz OFSRJKUQIZDIBN-LLVKDONJSA-N 1 0 393.684 2.818 20 0 GFADRO O[C@H](C[NH2+]Cc1ccc(Br)cc1C(F)(F)F)Cn1cccn1 ZINC000568502018 564421429 /nfs/dbraw/zinc/42/14/29/564421429.db2.gz KUGBQXXZMWCLQV-GFCCVEGCSA-N 1 0 378.192 2.815 20 0 GFADRO CCOc1ccc(S(=O)(=O)N[C@@H](C)C[NH+](CC)CC)cc1Br ZINC000480696013 564482575 /nfs/dbraw/zinc/48/25/75/564482575.db2.gz VPOZFQMGCVEOMM-LBPRGKRZSA-N 1 0 393.347 2.856 20 0 GFADRO CN(CCC[NH+]1CCCC1)C(=O)c1c(F)cccc1I ZINC000467675954 564969190 /nfs/dbraw/zinc/96/91/90/564969190.db2.gz LDOXQVPWRWEGAG-UHFFFAOYSA-N 1 0 390.240 2.988 20 0 GFADRO C[C@@H](C[NH3+])CNC(=O)N1CCC[C@H]1c1ccc(I)cc1 ZINC000418468785 563217828 /nfs/dbraw/zinc/21/78/28/563217828.db2.gz JOUCXMAJJWFAER-FZMZJTMJSA-N 1 0 387.265 2.733 20 0 GFADRO CCN(C(=O)c1cc(I)c(F)cc1F)[C@H]1CC[N@H+](C)C1 ZINC000597945950 565584015 /nfs/dbraw/zinc/58/40/15/565584015.db2.gz KZPYRUOXUVZBDH-VIFPVBQESA-N 1 0 394.203 2.736 20 0 GFADRO CCn1cc([C@@H](C)[NH2+]CC(=O)Nc2ccccc2I)cn1 ZINC000295896839 563266726 /nfs/dbraw/zinc/26/67/26/563266726.db2.gz CXSQSXYSMGYTDI-LLVKDONJSA-N 1 0 398.248 2.797 20 0 GFADRO CC[C@H](C)[N@H+](CCO)CC(=O)Nc1ccc(I)cc1C ZINC000312423139 563436717 /nfs/dbraw/zinc/43/67/17/563436717.db2.gz HICHXNYHEHNTBC-LBPRGKRZSA-N 1 0 390.265 2.631 20 0 GFADRO CCN(CCC[NH2+]C1CC(c2cccc(Br)c2)C1)S(C)(=O)=O ZINC000314787536 563440062 /nfs/dbraw/zinc/44/00/62/563440062.db2.gz USGNCHNDGNOSNS-UHFFFAOYSA-N 1 0 389.359 2.956 20 0 GFADRO CCC[N@@H+]1CC[C@H](CNc2c(Br)cccc2S(C)(=O)=O)C1 ZINC000283481989 563445957 /nfs/dbraw/zinc/44/59/57/563445957.db2.gz HCTFIRFSUBONCY-GFCCVEGCSA-N 1 0 375.332 2.996 20 0 GFADRO CC(C)Cc1ncnc(N2CCC[C@H]([NH+](C)C)C2)c1I ZINC000429191737 563511436 /nfs/dbraw/zinc/51/14/36/563511436.db2.gz FFXDDESBSYWKFJ-LBPRGKRZSA-N 1 0 388.297 2.810 20 0 GFADRO [NH3+]CC[C@@H](NC(=O)c1ccc(Br)cc1Br)C(F)F ZINC000383465877 563517314 /nfs/dbraw/zinc/51/73/14/563517314.db2.gz QCTFPHLRCDABDH-SECBINFHSA-N 1 0 386.034 2.924 20 0 GFADRO COCCOC1(C[NH2+]Cc2cccc(Br)c2F)CCOCC1 ZINC000294694637 563212942 /nfs/dbraw/zinc/21/29/42/563212942.db2.gz COUUXVDOHDWFHI-UHFFFAOYSA-N 1 0 376.266 2.890 20 0 GFADRO [NH3+]CCN(CCO)C(=O)NCC1(c2ccccc2Br)CCCCC1 ZINC000418255625 563214549 /nfs/dbraw/zinc/21/45/49/563214549.db2.gz RYCPSVMWRXLNGP-UHFFFAOYSA-N 1 0 398.345 2.614 20 0 GFADRO CC[NH2+]CC1CCN(C(=O)NCc2nc(C)c(Br)s2)CC1 ZINC000418243944 563215036 /nfs/dbraw/zinc/21/50/36/563215036.db2.gz WUXIBECXHRPKIZ-UHFFFAOYSA-N 1 0 375.336 2.745 20 0 GFADRO COCC[NH+]1CCC(NC(=O)CCc2cccc(F)c2Br)CC1 ZINC000294740345 563215475 /nfs/dbraw/zinc/21/54/75/563215475.db2.gz OFCNIKOYVORWGV-UHFFFAOYSA-N 1 0 387.293 2.748 20 0 GFADRO O=C(NCCC[NH2+]C1CC1)N[C@H](CO)c1ccc(Cl)cc1C(F)(F)F ZINC000418301314 563215847 /nfs/dbraw/zinc/21/58/47/563215847.db2.gz OKTPTGXRFQIUNQ-CQSZACIVSA-N 1 0 379.810 2.834 20 0 GFADRO CC(=O)c1ccc(S(=O)(=O)NC[C@@H]2CC[N@@H+](C)[C@H]2c2cccs2)cc1 ZINC000369538065 563216403 /nfs/dbraw/zinc/21/64/03/563216403.db2.gz ADHXLRBHYWLDRJ-MAUKXSAKSA-N 1 0 378.519 2.922 20 0 GFADRO COCCN(Cc1cc(Br)cs1)C(=O)NC1CCC([NH3+])CC1 ZINC000418377784 563216649 /nfs/dbraw/zinc/21/66/49/563216649.db2.gz BQYSRNYVBATMBX-UHFFFAOYSA-N 1 0 390.347 2.939 20 0 GFADRO C[NH2+]C[C@@H](C)CNC(=O)N1CCC[C@@H](Nc2cccc(Br)c2)C1 ZINC000418380904 563216669 /nfs/dbraw/zinc/21/66/69/563216669.db2.gz HVALAMXODMPYDT-CZUORRHYSA-N 1 0 383.334 2.891 20 0 GFADRO O=c1cccc2n1C[C@H]1C[C@@H]2C[N@H+](Cc2cn3ccc(Br)cc3n2)C1 ZINC000294819958 563217743 /nfs/dbraw/zinc/21/77/43/563217743.db2.gz OUNKBJHMYPSSRY-UONOGXRCSA-N 1 0 399.292 2.878 20 0 GFADRO COc1cc(Br)c(C(=O)N(C)C[C@H]2CCC[N@H+](C)C2)cc1OC ZINC000294812728 563217826 /nfs/dbraw/zinc/21/78/26/563217826.db2.gz FZGSDDRPQZCGQW-LBPRGKRZSA-N 1 0 385.302 2.880 20 0 GFADRO COCC[NH2+]CCNC(=O)NC(C)(C)Cc1ccc(Br)c(C)c1 ZINC000418512227 563218895 /nfs/dbraw/zinc/21/88/95/563218895.db2.gz SSGGMFVECNWTGY-UHFFFAOYSA-N 1 0 386.334 2.614 20 0 GFADRO COc1ccc(Br)c(C(=O)NCCC[NH2+][C@H]2CSC[C@@H]2C)c1 ZINC000294916365 563221590 /nfs/dbraw/zinc/22/15/90/563221590.db2.gz CLJGUQGZAZSXNM-NHYWBVRUSA-N 1 0 387.343 2.919 20 0 GFADRO C[C@@H](CCCC[NH3+])NC(=O)N(CCO)Cc1ccc(Br)s1 ZINC000418691060 563222156 /nfs/dbraw/zinc/22/21/56/563222156.db2.gz HPKBBNBCPBYBLK-NSHDSACASA-N 1 0 378.336 2.532 20 0 GFADRO C[C@@H](NC(=O)N1CCN([C@H](C)c2ccc(Br)cc2)CC1)[C@H](C)[NH3+] ZINC000418687988 563222299 /nfs/dbraw/zinc/22/22/99/563222299.db2.gz ANSAJDACPBCXQP-BFHYXJOUSA-N 1 0 383.334 2.573 20 0 GFADRO COC[C@@]1(CNC(=O)N(C)[C@H](C)c2ccccc2Br)CCC[NH2+]1 ZINC000418658646 563222302 /nfs/dbraw/zinc/22/23/02/563222302.db2.gz UJJFFMLKXCZQNP-DYVFJYSZSA-N 1 0 384.318 2.920 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)N1CCC[C@H]([C@@H](O)C(F)(F)F)C1)c1cccs1 ZINC000277709172 563222371 /nfs/dbraw/zinc/22/23/71/563222371.db2.gz IUKRHSHIMPFINU-OUCADQQQSA-N 1 0 379.448 2.696 20 0 GFADRO O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC000294934484 563222432 /nfs/dbraw/zinc/22/24/32/563222432.db2.gz LCTLHXAVKHNUFH-SJKOYZFVSA-N 1 0 387.307 2.644 20 0 GFADRO C[C@@H](CCC[NH3+])NC(=O)N1CCO[C@@H](c2ccc(F)c(Br)c2)C1 ZINC000418695444 563222994 /nfs/dbraw/zinc/22/29/94/563222994.db2.gz XXTYGDQOBBJTFB-XHDPSFHLSA-N 1 0 388.281 2.799 20 0 GFADRO CC[NH+](CC)[C@H](CNC(=O)C[S@@](=O)CC)c1ccc(C(F)(F)F)cc1 ZINC000294952814 563223101 /nfs/dbraw/zinc/22/31/01/563223101.db2.gz WAQCRXPACQHWNZ-BZQUYTCOSA-N 1 0 378.460 2.973 20 0 GFADRO CCN1CC[NH+](CCCCNC(=O)[C@@H](O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000294970102 563223881 /nfs/dbraw/zinc/22/38/81/563223881.db2.gz QKYDQKQVNPGNKK-KRWDZBQOSA-N 1 0 388.339 2.561 20 0 GFADRO C[C@@H]1Cc2ccc(Br)cc2CN1C(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000418756760 563224167 /nfs/dbraw/zinc/22/41/67/563224167.db2.gz IVOUEKDARIAQGB-YGRLFVJLSA-N 1 0 388.256 2.903 20 0 GFADRO Cc1cc(Br)ccc1C(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000369765179 563224424 /nfs/dbraw/zinc/22/44/24/563224424.db2.gz FCAXBNDHMWJHQF-MAUKXSAKSA-N 1 0 394.357 2.856 20 0 GFADRO O=C(N[C@H]1C[NH2+]CCC1(F)F)N1CC[C@H](c2cccc(Br)c2)C1 ZINC000418750887 563224463 /nfs/dbraw/zinc/22/44/63/563224463.db2.gz PMONALQGEKBXHP-JSGCOSHPSA-N 1 0 388.256 2.945 20 0 GFADRO O=C(N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)N1CCc2ccc(Br)cc2C1 ZINC000418782037 563225661 /nfs/dbraw/zinc/22/56/61/563225661.db2.gz DIGFYTLXAZUWCU-JJRVBVJISA-N 1 0 378.314 2.905 20 0 GFADRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)N[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000418814062 563226689 /nfs/dbraw/zinc/22/66/89/563226689.db2.gz FJCJQEJEXCBDRZ-GVAFMPQTSA-N 1 0 384.307 2.599 20 0 GFADRO CS(=O)(=O)[C@@H]1CCCC[N@H+](C[C@H](O)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000277816593 563227136 /nfs/dbraw/zinc/22/71/36/563227136.db2.gz QNCPDNYBUQDFDQ-HZPDHXFCSA-N 1 0 379.444 2.508 20 0 GFADRO O=C(NCCCC[NH+]1CCOCC1)N1CCO[C@H](c2ccc(Cl)s2)C1 ZINC000369876451 563227444 /nfs/dbraw/zinc/22/74/44/563227444.db2.gz ZZTZAUBGBWOWPE-AWEZNQCLSA-N 1 0 387.933 2.597 20 0 GFADRO C[C@@H](NC(=O)C(=O)N(C)CC(C)(C)C[NH3+])c1cc(F)c(Cl)cc1Cl ZINC000418856302 563227963 /nfs/dbraw/zinc/22/79/63/563227963.db2.gz WOVTWPNWPIDDAB-SECBINFHSA-N 1 0 378.275 2.753 20 0 GFADRO CC(C)[C@H](CNC(=O)C(=O)N[C@@H](C)CC[NH3+])Cc1ccc(Cl)cc1Cl ZINC000418857369 563228287 /nfs/dbraw/zinc/22/82/87/563228287.db2.gz RPXGWGDMQPHIJM-JSGCOSHPSA-N 1 0 388.339 2.778 20 0 GFADRO C[C@@H]1CN(C(=O)C(=O)N[C@H]2C[C@H](c3ccc(Cl)c(Cl)c3)C2)CC[C@H]1[NH3+] ZINC000418894518 563229370 /nfs/dbraw/zinc/22/93/70/563229370.db2.gz RJAAIKPKYPSUCV-XNIJJKJLSA-N 1 0 384.307 2.551 20 0 GFADRO CN(C(=O)C(=O)N[C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)C1)C1CC[NH2+]CC1 ZINC000418892055 563229374 /nfs/dbraw/zinc/22/93/74/563229374.db2.gz MZVIRTFQIDHLRN-JOCQHMNTSA-N 1 0 384.307 2.566 20 0 GFADRO O=C(NCCCCn1cc(Br)cn1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000370040025 563231750 /nfs/dbraw/zinc/23/17/50/563231750.db2.gz GTPLJBHCUBRLTB-INIZCTEOSA-N 1 0 398.349 2.696 20 0 GFADRO C[C@@H]1CN(c2ccc(Br)c(C(F)(F)F)n2)[C@@H](C)C[N@@H+]1CCO ZINC000419010074 563232610 /nfs/dbraw/zinc/23/26/10/563232610.db2.gz YFKUJNQPVDGPEU-ZJUUUORDSA-N 1 0 382.224 2.754 20 0 GFADRO CC(C)[C@H]([NH3+])CNC(=O)C(=O)N[C@@H](c1ccsc1)c1ccc(Cl)cc1 ZINC000419127272 563233935 /nfs/dbraw/zinc/23/39/35/563233935.db2.gz PKKNNMRGKOUEED-HZPDHXFCSA-N 1 0 379.913 2.707 20 0 GFADRO C[C@H]1C[C@@H](NC(=O)c2c(Br)cnn2C)C[N@@H+]1Cc1ccccc1 ZINC000295196362 563234479 /nfs/dbraw/zinc/23/44/79/563234479.db2.gz VMWPIZOVZOSKNZ-GXTWGEPZSA-N 1 0 377.286 2.575 20 0 GFADRO C[N@@H+]1CC[C@@H]2CCN(CC(=O)Nc3c(F)cc(F)cc3Br)C[C@@H]21 ZINC000370150913 563234574 /nfs/dbraw/zinc/23/45/74/563234574.db2.gz NFLVPXCFIDQPAN-YGRLFVJLSA-N 1 0 388.256 2.692 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCOC[C@@H]1C)C(=O)Nc1ccc(I)cc1 ZINC000277986265 563235536 /nfs/dbraw/zinc/23/55/36/563235536.db2.gz UGFHKWCTNJMMCE-COPLHBTASA-N 1 0 388.249 2.633 20 0 GFADRO O=C(c1ccc(Cl)c(I)c1)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000370161642 563235591 /nfs/dbraw/zinc/23/55/91/563235591.db2.gz MYHMZRMEJYPWJT-ZANVPECISA-N 1 0 390.652 2.769 20 0 GFADRO CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H]1CCSc2ccc(Cl)cc21 ZINC000419215199 563235698 /nfs/dbraw/zinc/23/56/98/563235698.db2.gz LSVMKQDPXMPMEC-HIFRSBDPSA-N 1 0 381.929 2.594 20 0 GFADRO C[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000419293181 563236451 /nfs/dbraw/zinc/23/64/51/563236451.db2.gz YXUUGZNCRCQPEL-NEPJUHHUSA-N 1 0 386.323 2.626 20 0 GFADRO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1CC(=O)Nc1c(Cl)cc(Cl)cc1Cl ZINC000419339658 563237985 /nfs/dbraw/zinc/23/79/85/563237985.db2.gz MIVHNXYMJUMIPG-GHMZBOCLSA-N 1 0 394.730 2.972 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)NCC(C)(C)c2ccc(Cl)c(Cl)c2)C1 ZINC000419359621 563238745 /nfs/dbraw/zinc/23/87/45/563238745.db2.gz MIPMQZSQLZIWFI-VXGBXAGGSA-N 1 0 386.323 2.583 20 0 GFADRO O=C(CCN1CC[NH+]([C@@H]2CCSC2)CC1)Nc1ccc(Br)cc1 ZINC000370408234 563242542 /nfs/dbraw/zinc/24/25/42/563242542.db2.gz YUGBLQAADWWWLG-MRXNPFEDSA-N 1 0 398.370 2.901 20 0 GFADRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)c1c(Br)cnn1C ZINC000295350877 563242955 /nfs/dbraw/zinc/24/29/55/563242955.db2.gz VKHBYLMXMJAGGK-UHFFFAOYSA-N 1 0 379.302 2.907 20 0 GFADRO CCC(CC)(CNC(=O)C(=O)N1CC[C@@H]([NH3+])C1)c1ccc(Cl)c(Cl)c1 ZINC000419646902 563244898 /nfs/dbraw/zinc/24/48/98/563244898.db2.gz JMBIOWUJANKAMV-CYBMUJFWSA-N 1 0 386.323 2.727 20 0 GFADRO Cc1sc(Br)c(C(=O)N[C@H]2CCC[N@H+](CCCO)C2)c1C ZINC000295399343 563245247 /nfs/dbraw/zinc/24/52/47/563245247.db2.gz IKGLATPHECVLLQ-LBPRGKRZSA-N 1 0 375.332 2.704 20 0 GFADRO O=C(CCc1ccccc1Br)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000370487323 563245810 /nfs/dbraw/zinc/24/58/10/563245810.db2.gz IRWZINLZFRFQJV-INIZCTEOSA-N 1 0 381.314 2.751 20 0 GFADRO CN(C)c1ncc(C[NH2+]Cc2cnn(-c3ccc(Br)cc3)c2)n1C ZINC000419696549 563245987 /nfs/dbraw/zinc/24/59/87/563245987.db2.gz OTSSWMGNSNBFJN-UHFFFAOYSA-N 1 0 389.301 2.724 20 0 GFADRO COc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(S(N)(=O)=O)c(Cl)c1)CCO2 ZINC000419689573 563246223 /nfs/dbraw/zinc/24/62/23/563246223.db2.gz TWHFJRKYTLKQDW-HNNXBMFYSA-N 1 0 382.869 2.609 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+][C@H](CCO)c2ccc(Cl)cc2)cc1Cl ZINC000419704127 563246945 /nfs/dbraw/zinc/24/69/45/563246945.db2.gz GDHLGGQTJOWRRI-OAHLLOKOSA-N 1 0 389.304 2.854 20 0 GFADRO CC[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)N[C@H]1CCC[C@H]1C[NH3+] ZINC000419754377 563249385 /nfs/dbraw/zinc/24/93/85/563249385.db2.gz OSNUBTIIALXRHL-BJJXKVORSA-N 1 0 386.323 2.674 20 0 GFADRO Cc1noc(C)c1C[C@@H](C)[NH2+]C1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000370616705 563250347 /nfs/dbraw/zinc/25/03/47/563250347.db2.gz VYUVXZVPEXBGDM-GFCCVEGCSA-N 1 0 383.539 2.727 20 0 GFADRO CCC[C@@H](O)[C@@H](CO)[NH2+]Cc1cc(Br)c(OC(F)F)c(OC)c1 ZINC000419833816 563251869 /nfs/dbraw/zinc/25/18/69/563251869.db2.gz WJJARDDCCOZQCB-VXGBXAGGSA-N 1 0 398.244 2.671 20 0 GFADRO C[C@@H]1c2cc(Cl)c(Cl)cc2CCN1C(=O)C(=O)NCCC[NH2+]C1CC1 ZINC000419847779 563252316 /nfs/dbraw/zinc/25/23/16/563252316.db2.gz SGROAIVUAAUBEP-LLVKDONJSA-N 1 0 384.307 2.697 20 0 GFADRO O=C(NCCC[NH2+]C1CC1)C(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000419852095 563252706 /nfs/dbraw/zinc/25/27/06/563252706.db2.gz KJBXFRCMSUCKQV-INIZCTEOSA-N 1 0 384.307 2.915 20 0 GFADRO [NH3+][C@H]1CCC[C@@H](NC(=O)C(=O)N(Cc2cccs2)Cc2cccs2)C1 ZINC000419886416 563252709 /nfs/dbraw/zinc/25/27/09/563252709.db2.gz ZZPVOTZIPVZTQU-UONOGXRCSA-N 1 0 377.535 2.725 20 0 GFADRO O=S(=O)(c1ccc(Cl)s1)N1CCC[N@H+](C[C@H]2CCSC2)CC1 ZINC000278394523 563253516 /nfs/dbraw/zinc/25/35/16/563253516.db2.gz FAYARKQUIKLQBY-GFCCVEGCSA-N 1 0 380.988 2.851 20 0 GFADRO O=C(Cc1cccc(Br)c1)NC[C@@H]1CCC[C@@H]1[NH+]1CCOCC1 ZINC000370752705 563254167 /nfs/dbraw/zinc/25/41/67/563254167.db2.gz HRTWSVKZNDQEME-RDJZCZTQSA-N 1 0 381.314 2.609 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]C[C@@H]1CCOC[C@@H]1C ZINC000295580351 563254336 /nfs/dbraw/zinc/25/43/36/563254336.db2.gz BLGVERDUSMRXNH-IHRRRGAJSA-N 1 0 399.329 2.725 20 0 GFADRO COCC[C@]1(C(=O)Nc2nnc(Cc3cccc(Cl)c3)s2)CC[NH2+]C1 ZINC000370764063 563254764 /nfs/dbraw/zinc/25/47/64/563254764.db2.gz UUZOJCVKCWNXIJ-QGZVFWFLSA-N 1 0 380.901 2.737 20 0 GFADRO NC(=O)c1ccccc1N1CC[C@@H]([NH2+]Cc2cc(Br)cs2)C1 ZINC000370831514 563257702 /nfs/dbraw/zinc/25/77/02/563257702.db2.gz VJDPZUBJLZUWGH-GFCCVEGCSA-N 1 0 380.311 2.978 20 0 GFADRO CC(C)NS(=O)(=O)[C@H]1CCN(Cc2ccc(OCC(F)(F)F)cc2)C1 ZINC000370856413 563258474 /nfs/dbraw/zinc/25/84/74/563258474.db2.gz NTXPPMMWVPXFPL-HNNXBMFYSA-N 1 0 380.432 2.530 20 0 GFADRO CC(C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000420142174 563258828 /nfs/dbraw/zinc/25/88/28/563258828.db2.gz ZYUUJOWAGNQISS-TZMCWYRMSA-N 1 0 386.323 2.987 20 0 GFADRO CCCC[C@H](C[NH3+])NC(=O)C(=O)N(Cc1ccc(Br)cc1)C(C)C ZINC000420117849 563258833 /nfs/dbraw/zinc/25/88/33/563258833.db2.gz HWTNZVODBDYWPN-MRXNPFEDSA-N 1 0 398.345 2.820 20 0 GFADRO Cn1cc([C@H]2[C@@H](CNC(=O)c3cccc(Br)c3)CCC[N@@H+]2C)cn1 ZINC000370917823 563259645 /nfs/dbraw/zinc/25/96/45/563259645.db2.gz PCKJIVUIBARGSB-RHSMWYFYSA-N 1 0 391.313 2.996 20 0 GFADRO C[C@@H]1c2cc(Cl)cc(Cl)c2CCN1C(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000420204942 563259773 /nfs/dbraw/zinc/25/97/73/563259773.db2.gz PCYNGDSLHJENNC-MDZLAQPJSA-N 1 0 384.307 2.683 20 0 GFADRO Cc1ncc(C[N@@H+]2CC[C@H](NC(=O)CSc3ccncc3)[C@H](C)C2)s1 ZINC000370947717 563260539 /nfs/dbraw/zinc/26/05/39/563260539.db2.gz NSLIYJACTNVEER-DYVFJYSZSA-N 1 0 376.551 2.965 20 0 GFADRO CC(C)Cc1ncnc(N2CC[C@H](C)C[C@H]2C[NH3+])c1I ZINC000420261428 563261103 /nfs/dbraw/zinc/26/11/03/563261103.db2.gz PXACXXANLJQLES-RYUDHWBXSA-N 1 0 388.297 2.843 20 0 GFADRO C[C@@H]1C[N@H+](CCCNC(=O)c2cc(Br)c(F)cc2F)CCCO1 ZINC000278570798 563261551 /nfs/dbraw/zinc/26/15/51/563261551.db2.gz PMFRKKCBVRHWEG-LLVKDONJSA-N 1 0 391.256 2.958 20 0 GFADRO C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1NCC(=O)Nc1c(F)cc(F)cc1Br ZINC000420358221 563262538 /nfs/dbraw/zinc/26/25/38/563262538.db2.gz FDAZMLRRWXGIAQ-TVLCNXBWSA-N 1 0 376.245 2.642 20 0 GFADRO CN(Cc1cc(Br)cs1)C(=O)CN1C[C@@H]([NH3+])Cc2ccccc21 ZINC000420394290 563262546 /nfs/dbraw/zinc/26/25/46/563262546.db2.gz AMRPILQBDYZQBN-AWEZNQCLSA-N 1 0 394.338 2.859 20 0 GFADRO O=c1cccc2n1C[C@H]1C[C@@H]2C[N@H+](C[C@@H](O)c2ccccc2Br)C1 ZINC000295774763 563262608 /nfs/dbraw/zinc/26/26/08/563262608.db2.gz YTCCJSCIEDMISI-PMUMKWKESA-N 1 0 389.293 2.764 20 0 GFADRO COc1cc(C(F)(F)F)cc(S(=O)(=O)N2CCC[C@H]([NH+](C)C)CC2)c1 ZINC000295801804 563262978 /nfs/dbraw/zinc/26/29/78/563262978.db2.gz ARZXWBPQBUCHIZ-ZDUSSCGKSA-N 1 0 380.432 2.819 20 0 GFADRO O=S(=O)(c1ccc(F)cc1Br)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420451590 563263493 /nfs/dbraw/zinc/26/34/93/563263493.db2.gz BMGLEJYROYUJMN-FZMZJTMJSA-N 1 0 391.306 2.741 20 0 GFADRO C[C@@H]1CN(S(=O)(=O)c2cccc(Cl)c2Br)C[C@@]1(C)C[NH3+] ZINC000420453332 563263862 /nfs/dbraw/zinc/26/38/62/563263862.db2.gz BVVRZYZZSXARGS-NOZJJQNGSA-N 1 0 381.723 2.708 20 0 GFADRO C[C@@H]1CN(S(=O)(=O)c2cc(Cl)c(Br)cc2F)C[C@@]1(C)C[NH3+] ZINC000420463257 563264214 /nfs/dbraw/zinc/26/42/14/563264214.db2.gz ROSVFHHUGXXXQZ-AMIZOPFISA-N 1 0 399.713 2.847 20 0 GFADRO O=S(=O)(c1ccc(F)cc1C(F)(F)F)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420471144 563265139 /nfs/dbraw/zinc/26/51/39/563265139.db2.gz XWZNODSXCRPCQF-RISCZKNCSA-N 1 0 380.407 2.997 20 0 GFADRO COCC[C@]1(C(=O)Nc2ccc(N3CCSCC3)c(Cl)c2)CC[NH2+]C1 ZINC000371262278 563269913 /nfs/dbraw/zinc/26/99/13/563269913.db2.gz JZPKBMOFUSTOMI-GOSISDBHSA-N 1 0 383.945 2.848 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2Cc1cc2c(cc1Br)OCO2 ZINC000371300590 563271244 /nfs/dbraw/zinc/27/12/44/563271244.db2.gz QCWKYXNIWIRBFJ-VNQPRFMTSA-N 1 0 397.313 2.861 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2Cc1cc2c(cc1Br)OCO2 ZINC000371300588 563271335 /nfs/dbraw/zinc/27/13/35/563271335.db2.gz QCWKYXNIWIRBFJ-FVQBIDKESA-N 1 0 397.313 2.861 20 0 GFADRO CN(CC[C@H]1CCCC[N@@H+]1C)S(=O)(=O)c1cc(F)ccc1OC(F)F ZINC000420673738 563272530 /nfs/dbraw/zinc/27/25/30/563272530.db2.gz MCMSEZKUYDXJHC-CYBMUJFWSA-N 1 0 380.432 2.922 20 0 GFADRO Cc1ccc(Cl)c(S(=O)(=O)N(C)C2CC[NH+](C3CCOCC3)CC2)c1 ZINC000371375651 563274841 /nfs/dbraw/zinc/27/48/41/563274841.db2.gz PECILRIHVDVITB-UHFFFAOYSA-N 1 0 386.945 2.912 20 0 GFADRO Cc1ccc(Br)c(NC(=O)C(=O)NC2CC[NH+](C3CCC3)CC2)c1 ZINC000296199169 563277927 /nfs/dbraw/zinc/27/79/27/563277927.db2.gz OFWJQVDUUHITIC-UHFFFAOYSA-N 1 0 394.313 2.829 20 0 GFADRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NS(=O)(=O)c1cc(F)ccc1OC(F)F ZINC000420716495 563279031 /nfs/dbraw/zinc/27/90/31/563279031.db2.gz CWPFSLYJACRRQQ-VXGBXAGGSA-N 1 0 380.432 2.826 20 0 GFADRO CN(Cc1ncc(Cl)n1C)C(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1cccs1 ZINC000371497255 563279221 /nfs/dbraw/zinc/27/92/21/563279221.db2.gz OHXXVABESOBIKS-BLLLJJGKSA-N 1 0 381.933 2.969 20 0 GFADRO O=S1(=O)CC[C@](O)(C[NH2+][C@@H](c2ccc(F)cc2)c2ccc(Cl)cc2)C1 ZINC000296367662 563285021 /nfs/dbraw/zinc/28/50/21/563285021.db2.gz JCIYVQTYBDYVID-MSOLQXFVSA-N 1 0 383.872 2.708 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]Cc1ccc(C)nc1 ZINC000296395257 563286101 /nfs/dbraw/zinc/28/61/01/563286101.db2.gz LFWQFJMJPBFEOY-ZDUSSCGKSA-N 1 0 392.297 2.956 20 0 GFADRO C[C@@H]1C[C@@H](N(C)C(=O)[C@@H]2CCCN2C(=O)c2ccc(Cl)s2)CC[N@@H+]1C ZINC000371764170 563286850 /nfs/dbraw/zinc/28/68/50/563286850.db2.gz FAMNZJFBBQPZSZ-RDBSUJKOSA-N 1 0 383.945 2.947 20 0 GFADRO CN(Cc1cc(Br)cs1)C(=O)C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000296489390 563289071 /nfs/dbraw/zinc/28/90/71/563289071.db2.gz YSKFAFVHORDFCE-CFVMTHIKSA-N 1 0 387.343 2.872 20 0 GFADRO O=C(CC[N@H+]1CCC[C@H]1Cc1ccccc1Br)N1CCOCC1 ZINC000420956991 563292411 /nfs/dbraw/zinc/29/24/11/563292411.db2.gz BGGWFEOGPPTYMT-INIZCTEOSA-N 1 0 381.314 2.705 20 0 GFADRO CC[C@H](C)[C@H](C[NH2+][C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1)OC ZINC000296595224 563293395 /nfs/dbraw/zinc/29/33/95/563293395.db2.gz VGBZCXZSTIIAQZ-MJVIPROJSA-N 1 0 393.347 2.808 20 0 GFADRO CN(Cc1ccccc1Br)C(=O)C[N@@H+]1CCC[C@@H](CCO)CC1 ZINC000421039469 563294119 /nfs/dbraw/zinc/29/41/19/563294119.db2.gz MEDGMQNECPZNDP-OAHLLOKOSA-N 1 0 383.330 2.892 20 0 GFADRO C[C@H](Cn1cc(Br)cn1)[NH2+][C@@H]1CCN(C[C@@H]2CCCO2)C[C@@H]1C ZINC000372047931 563294522 /nfs/dbraw/zinc/29/45/22/563294522.db2.gz VSDDAZISFBYRGD-HDEZJCGLSA-N 1 0 385.350 2.513 20 0 GFADRO C[C@@H]1C[N@H+](CCCNC(=O)c2c(F)ccc(Br)c2F)CCCO1 ZINC000279371079 563294604 /nfs/dbraw/zinc/29/46/04/563294604.db2.gz WUNDJKDZMCCOHN-LLVKDONJSA-N 1 0 391.256 2.958 20 0 GFADRO C[C@@H](Cc1ccc(O)cc1)[NH2+]C1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000372066188 563294798 /nfs/dbraw/zinc/29/47/98/563294798.db2.gz XGPGLQMSIBTLIO-AWEZNQCLSA-N 1 0 380.535 2.828 20 0 GFADRO C[NH+]1CCC(NC(=O)N[C@@H](CO)c2ccc(Cl)cc2C(F)(F)F)CC1 ZINC000279530392 563300230 /nfs/dbraw/zinc/30/02/30/563300230.db2.gz BWJDCPRRDGNTOH-AWEZNQCLSA-N 1 0 379.810 2.786 20 0 GFADRO O=C(NCC1CC[NH2+]CC1)[C@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 ZINC000296845357 563304358 /nfs/dbraw/zinc/30/43/58/563304358.db2.gz CELNJIWVQKLEEY-MRXNPFEDSA-N 1 0 384.307 2.714 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]C[C@H]1CCSC1 ZINC000296846747 563304755 /nfs/dbraw/zinc/30/47/55/563304755.db2.gz OMQZUVAWNIVRDV-NWDGAFQWSA-N 1 0 387.343 2.805 20 0 GFADRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)Nc1cc(Cl)ccc1C(F)(F)F ZINC000421309412 563306639 /nfs/dbraw/zinc/30/66/39/563306639.db2.gz ZWKVSQVNJOFPQD-LLVKDONJSA-N 1 0 377.794 2.850 20 0 GFADRO CCCN1C[C@H](C[NH2+]Cc2cn(-c3ccc(Cl)c(Cl)c3)nn2)CC1=O ZINC000421346013 563308012 /nfs/dbraw/zinc/30/80/12/563308012.db2.gz BUCOMXWLGLQRGP-LBPRGKRZSA-N 1 0 382.295 2.922 20 0 GFADRO COC(=O)C[C@H](NC(=O)C[C@H]1CCC[NH2+]CC1)c1cccc(Br)c1 ZINC000372498641 563308559 /nfs/dbraw/zinc/30/85/59/563308559.db2.gz WWDRIIGHWSKNAP-BBRMVZONSA-N 1 0 397.313 2.949 20 0 GFADRO CCCN1C[C@H](C[NH2+]Cc2cn(-c3cccc(Cl)c3Cl)nn2)CC1=O ZINC000421352272 563308730 /nfs/dbraw/zinc/30/87/30/563308730.db2.gz NUFVQCWISUXAPK-LBPRGKRZSA-N 1 0 382.295 2.922 20 0 GFADRO CCCN1C[C@@H](C[NH2+]Cc2ccc(C(=O)OC)cc2Br)CC1=O ZINC000421355835 563308826 /nfs/dbraw/zinc/30/88/26/563308826.db2.gz VMJLRXWDRYFQTN-GFCCVEGCSA-N 1 0 383.286 2.584 20 0 GFADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+]CCCC1(O)CCC1 ZINC000421375132 563308902 /nfs/dbraw/zinc/30/89/02/563308902.db2.gz GCHFFDPLSWHDRV-CYBMUJFWSA-N 1 0 399.329 2.747 20 0 GFADRO CNC(=O)[C@H]1CC[N@H+](Cc2cn(-c3ccc(Br)cc3)nc2C)C1 ZINC000421386949 563309384 /nfs/dbraw/zinc/30/93/84/563309384.db2.gz OLBFXBXQHNZTFF-ZDUSSCGKSA-N 1 0 377.286 2.511 20 0 GFADRO CC(C)(O)C[N@@H+]1CCCN(C(=O)/C=C/c2ccc(Br)s2)CC1 ZINC000372551806 563309962 /nfs/dbraw/zinc/30/99/62/563309962.db2.gz IDOHCLJSYGFXHA-FNORWQNLSA-N 1 0 387.343 2.829 20 0 GFADRO C[C@@H](NC(=O)N1CCC[N@H+](CC(C)(C)O)CC1)c1ccc(Br)cc1 ZINC000372576489 563310850 /nfs/dbraw/zinc/31/08/50/563310850.db2.gz VIFFLXQFKZPOOY-CQSZACIVSA-N 1 0 398.345 2.998 20 0 GFADRO CO[C@H](c1ccccc1)[C@@H](C)[NH2+]C1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000279791807 563311195 /nfs/dbraw/zinc/31/11/95/563311195.db2.gz VDJFYBZZERLWFL-DOMZBBRYSA-N 1 0 380.432 2.666 20 0 GFADRO O=C(CSCc1cscn1)NC[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000372769536 563316528 /nfs/dbraw/zinc/31/65/28/563316528.db2.gz YTSPHRJRQGVGOD-INIZCTEOSA-N 1 0 376.551 2.800 20 0 GFADRO C[NH+](C)CCn1nccc1NC(=O)N1CCc2cc(Br)ccc2C1 ZINC000297160401 563318047 /nfs/dbraw/zinc/31/80/47/563318047.db2.gz GTBQQRVKLDTDPM-UHFFFAOYSA-N 1 0 392.301 2.797 20 0 GFADRO O=C(c1ccn([C@@H]2CCC[NH2+]C2)n1)N1CCc2cc(Br)sc2C1 ZINC000372823172 563318895 /nfs/dbraw/zinc/31/88/95/563318895.db2.gz WSEMKAPEZSQSNL-GFCCVEGCSA-N 1 0 395.326 2.830 20 0 GFADRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)c1cc(=O)[nH]c2ccc(Br)cc21 ZINC000421699620 563319350 /nfs/dbraw/zinc/31/93/50/563319350.db2.gz BLMRNHHGRUBMIM-LBPRGKRZSA-N 1 0 378.270 2.869 20 0 GFADRO Cc1c(C(=O)NCC2CC[NH2+]CC2)cnn1-c1ccc(Br)cc1 ZINC000297204423 563319527 /nfs/dbraw/zinc/31/95/27/563319527.db2.gz MVVRZGVBZTWESJ-UHFFFAOYSA-N 1 0 377.286 2.673 20 0 GFADRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)c1ccc(F)c(I)c1 ZINC000421713920 563320538 /nfs/dbraw/zinc/32/05/38/563320538.db2.gz UHXLWULBLGMWRK-LLVKDONJSA-N 1 0 376.213 2.597 20 0 GFADRO C[C@@H](Cc1ccc(F)cc1Cl)[NH2+]C[C@H]1CCCCN1S(=O)(=O)N(C)C ZINC000421857770 563323086 /nfs/dbraw/zinc/32/30/86/563323086.db2.gz QEPSLENACKZHRC-XJKSGUPXSA-N 1 0 391.940 2.661 20 0 GFADRO CCCN(CCC[NH+](C)C)C(=O)Nc1nc2cc(Br)ccn2n1 ZINC000297325489 563323411 /nfs/dbraw/zinc/32/34/11/563323411.db2.gz LZJPITLASROPNA-UHFFFAOYSA-N 1 0 383.294 2.687 20 0 GFADRO Cc1c(C(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)cnn1-c1ccc(Br)cc1 ZINC000372956774 563323788 /nfs/dbraw/zinc/32/37/88/563323788.db2.gz MPVBPXSRQYAQEG-CXAGYDPISA-N 1 0 389.297 2.767 20 0 GFADRO CN(Cc1cccc(Br)c1)C(=O)Nc1ccnn1CC[NH+](C)C ZINC000297353545 563324299 /nfs/dbraw/zinc/32/42/99/563324299.db2.gz KHIUQVVXIMPDFU-UHFFFAOYSA-N 1 0 380.290 2.871 20 0 GFADRO Cc1sc(Br)nc1C(=O)N1CCC([N@H+]2CCO[C@H](C)C2)CC1 ZINC000372987671 563325084 /nfs/dbraw/zinc/32/50/84/563325084.db2.gz ZXDPTJBRRDOKAM-SNVBAGLBSA-N 1 0 388.331 2.539 20 0 GFADRO CC[NH+]1CCC(N2CCCN(C(=O)c3ccc(Br)o3)CC2)CC1 ZINC000422005528 563327414 /nfs/dbraw/zinc/32/74/14/563327414.db2.gz JFKXBNCMTOVEEE-UHFFFAOYSA-N 1 0 384.318 2.674 20 0 GFADRO CC[C@H](NC(=O)NC[C@@H](c1ccc(SC)cc1)[NH+](C)C)[C@@H](O)C(F)F ZINC000297507775 563327474 /nfs/dbraw/zinc/32/74/74/563327474.db2.gz OTCILWCDWHJQRK-SOUVJXGZSA-N 1 0 375.485 2.715 20 0 GFADRO O=C(Nc1ccc(F)cc1Br)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000373079604 563327602 /nfs/dbraw/zinc/32/76/02/563327602.db2.gz XXPDBIIGBKCRTF-HUUCEWRRSA-N 1 0 386.265 2.651 20 0 GFADRO CC[NH+]1CCC(N2CCCN(C(=O)c3coc(Br)c3)CC2)CC1 ZINC000422011465 563327719 /nfs/dbraw/zinc/32/77/19/563327719.db2.gz UMVNJQHAGQCDAH-UHFFFAOYSA-N 1 0 384.318 2.674 20 0 GFADRO O=C(NCC[N@H+]1CC=CCC1)c1cc(F)c(F)cc1I ZINC000280246750 563328290 /nfs/dbraw/zinc/32/82/90/563328290.db2.gz NKCIQMDNOIAJOC-UHFFFAOYSA-N 1 0 392.187 2.561 20 0 GFADRO Cc1n[nH]cc1CCC[NH2+][C@@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000280262222 563328996 /nfs/dbraw/zinc/32/89/96/563328996.db2.gz XHTCTKHLOMLVLX-JTQLQIEISA-N 1 0 391.324 2.956 20 0 GFADRO COC(=O)c1cc(Br)ccc1NC(=O)N1CC[C@H]2CC[N@H+](C)[C@@H]2C1 ZINC000373181338 563331437 /nfs/dbraw/zinc/33/14/37/563331437.db2.gz ZVQDBKOTIQVXPM-IAQYHMDHSA-N 1 0 396.285 2.794 20 0 GFADRO C[NH+](C)CCN1CCC(NC(=O)N2CCc3c2cccc3Br)CC1 ZINC000422151833 563331830 /nfs/dbraw/zinc/33/18/30/563331830.db2.gz QPABYRVTXLJULV-UHFFFAOYSA-N 1 0 395.345 2.547 20 0 GFADRO C[NH+]1CCC(n2ccc(NC(=O)CCc3cccc(Br)c3)n2)CC1 ZINC000373245292 563332797 /nfs/dbraw/zinc/33/27/97/563332797.db2.gz MOWFYMUSSPTPSB-UHFFFAOYSA-N 1 0 391.313 3.484 20 0 GFADRO COc1cc(C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)sc1Br ZINC000373278490 563333202 /nfs/dbraw/zinc/33/32/02/563333202.db2.gz OTKHMKNRXJHLAS-UHFFFAOYSA-N 1 0 399.314 3.235 20 0 GFADRO Cc1nc2scc(C3CC3)n2c1C[NH2+]CCNS(=O)(=O)c1cccs1 ZINC000297698237 563333178 /nfs/dbraw/zinc/33/31/78/563333178.db2.gz QJUNYGTZNCLUFM-UHFFFAOYSA-N 1 0 396.563 2.711 20 0 GFADRO CCN(CC)S(=O)(=O)c1ccc(CC[NH2+][C@@H](C)c2nccn2CC)s1 ZINC000297834188 563337474 /nfs/dbraw/zinc/33/74/74/563337474.db2.gz SALNLUFMTNUPBF-AWEZNQCLSA-N 1 0 384.571 2.888 20 0 GFADRO CC(C)[NH+]1CCC(NC(=O)N(C)C[C@@H](O)c2ccccc2Br)CC1 ZINC000297865096 563338218 /nfs/dbraw/zinc/33/82/18/563338218.db2.gz QDCZYUTVGCFJPR-QGZVFWFLSA-N 1 0 398.345 2.997 20 0 GFADRO C[C@H]1C[C@@H](C(=O)N2CCC[C@@H]2C(=O)Nc2ccc(Br)cc2)CC[NH2+]1 ZINC000373510055 563341039 /nfs/dbraw/zinc/34/10/39/563341039.db2.gz QZFMMIPMSCZREH-HEHGZKQESA-N 1 0 394.313 2.767 20 0 GFADRO O=S(=O)(c1cc(Br)ccc1Cl)N1CCC2(CC[NH2+]2)CC1 ZINC000422555296 563342579 /nfs/dbraw/zinc/34/25/79/563342579.db2.gz OXYDLUGYZHCFIA-UHFFFAOYSA-N 1 0 379.707 2.619 20 0 GFADRO Cc1ccc(Br)c(S(=O)(=O)N2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)c1 ZINC000422558389 563343298 /nfs/dbraw/zinc/34/32/98/563343298.db2.gz ZDPCQLHMJJQSCV-XQQFMLRXSA-N 1 0 375.332 2.751 20 0 GFADRO CC(C)(CC[NH3+])NC(=O)NC1CCN(Cc2ccc(Br)cc2)CC1 ZINC000422600725 563344671 /nfs/dbraw/zinc/34/46/71/563344671.db2.gz AQQMMQLACWDWPN-UHFFFAOYSA-N 1 0 397.361 2.840 20 0 GFADRO O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)N1CCCC[C@@H]1Cc1cccc(Br)c1 ZINC000422603951 563344736 /nfs/dbraw/zinc/34/47/36/563344736.db2.gz ANOZCBBVWVICGE-NCOADZHNSA-N 1 0 378.314 2.774 20 0 GFADRO CSc1nc(C)c(CCC(=O)NC[C@@H](c2cccs2)[NH+](C)C)c(=O)[nH]1 ZINC000298091497 563344843 /nfs/dbraw/zinc/34/48/43/563344843.db2.gz NOCCNKHLCQCHMW-ZDUSSCGKSA-N 1 0 380.539 2.626 20 0 GFADRO COc1ccc(S(=O)(=O)N2CCC[C@@H]([NH+](C)C)CC2)c(Br)c1 ZINC000280631793 563347305 /nfs/dbraw/zinc/34/73/05/563347305.db2.gz ZYTNZJVLOVBAST-GFCCVEGCSA-N 1 0 391.331 2.563 20 0 GFADRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)Nc1cc(Cl)c(N)c(Cl)c1 ZINC000298257742 563348898 /nfs/dbraw/zinc/34/88/98/563348898.db2.gz VBRHOSBWSMPBDU-GHMZBOCLSA-N 1 0 387.311 2.751 20 0 GFADRO O=C(Nc1ccc(F)cc1Br)C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000373733737 563349074 /nfs/dbraw/zinc/34/90/74/563349074.db2.gz ZCWUXMUPWNURKB-UHFFFAOYSA-N 1 0 398.276 2.660 20 0 GFADRO Brc1cccc(N2CC[C@H](C[NH2+][C@@H](C3CC3)[C@H]3CNCCO3)C2)c1 ZINC000422898884 563350189 /nfs/dbraw/zinc/35/01/89/563350189.db2.gz NEDLILHYQQNXHF-ZMYBRWDISA-N 1 0 394.357 2.632 20 0 GFADRO C[C@@H](c1ccccc1)[NH+]1CCC(NS(=O)(=O)c2c(Cl)cnn2C)CC1 ZINC000373793155 563351262 /nfs/dbraw/zinc/35/12/62/563351262.db2.gz SEPXSGJIQCOPSW-ZDUSSCGKSA-N 1 0 382.917 2.577 20 0 GFADRO CN(Cc1cccc(Cl)c1Cl)C(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000423000222 563352475 /nfs/dbraw/zinc/35/24/75/563352475.db2.gz UUKLMMNZFOSEJY-NJZAAPMLSA-N 1 0 384.307 2.538 20 0 GFADRO CCOC(=O)[C@@H]1NCC[C@H]1[NH2+]Cc1ccc(Br)cc1C(F)(F)F ZINC000423022770 563353229 /nfs/dbraw/zinc/35/32/29/563353229.db2.gz IKULDCHBDCFWAW-CHWSQXEVSA-N 1 0 395.219 2.851 20 0 GFADRO C[NH2+]C1CCN(C(=O)C(=O)N(Cc2cccs2)Cc2cccs2)CC1 ZINC000423017662 563353240 /nfs/dbraw/zinc/35/32/40/563353240.db2.gz PFJLJUBFGOFRTA-UHFFFAOYSA-N 1 0 377.535 2.549 20 0 GFADRO C[C@@H](C[C@H]1COCCN1)[NH2+]CCCOc1ncc(C(F)(F)F)cc1Cl ZINC000423015084 563353301 /nfs/dbraw/zinc/35/33/01/563353301.db2.gz QJYNSXCRTMHBPR-AAEUAGOBSA-N 1 0 381.826 2.879 20 0 GFADRO O=C(NC1CC[NH+](C2CC2)CC1)C1(c2cccc(Br)c2)CC(=O)C1 ZINC000280785552 563354062 /nfs/dbraw/zinc/35/40/62/563354062.db2.gz NTBDNCBVUKLEMH-UHFFFAOYSA-N 1 0 391.309 2.793 20 0 GFADRO C[C@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)[N@@H+]1CC[C@](C)(C(N)=O)C1 ZINC000280788955 563354396 /nfs/dbraw/zinc/35/43/96/563354396.db2.gz QVLALBFWZJTGOG-PSLIRLAXSA-N 1 0 377.794 2.883 20 0 GFADRO NC(=O)C1CC[NH+](CCCCNC(=O)Nc2ccccc2Br)CC1 ZINC000298411910 563354586 /nfs/dbraw/zinc/35/45/86/563354586.db2.gz QMZVSYUIUWQBGN-UHFFFAOYSA-N 1 0 397.317 2.548 20 0 GFADRO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000423093096 563354850 /nfs/dbraw/zinc/35/48/50/563354850.db2.gz FTWAZKKGHUIVRL-BLLLJJGKSA-N 1 0 384.307 2.725 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000423092203 563354963 /nfs/dbraw/zinc/35/49/63/563354963.db2.gz AXMMKNBEJQUJOS-GHJWDPDVSA-N 1 0 384.307 2.853 20 0 GFADRO CN(Cc1c(Cl)cccc1Cl)C(=O)C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000423104842 563355459 /nfs/dbraw/zinc/35/54/59/563355459.db2.gz QGOFANLAOAWLSW-SFHVURJKSA-N 1 0 384.307 2.554 20 0 GFADRO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NCCc1cccc(Br)c1 ZINC000298502919 563357582 /nfs/dbraw/zinc/35/75/82/563357582.db2.gz VMVWHZFIGAWWCG-QGZVFWFLSA-N 1 0 383.330 2.901 20 0 GFADRO Cc1cn2c(n1)CC[C@@H](NC(=O)c1ccc(F)cc1I)C2 ZINC000373993319 563357757 /nfs/dbraw/zinc/35/77/57/563357757.db2.gz RBUNQGVNSJTUHG-LLVKDONJSA-N 1 0 399.207 2.680 20 0 GFADRO C[C@@H](C(=O)N1CCC(C)CC1)[NH+]1CCC(n2cc(Br)cn2)CC1 ZINC000374009393 563358547 /nfs/dbraw/zinc/35/85/47/563358547.db2.gz BOSJJMDHYONYOQ-AWEZNQCLSA-N 1 0 383.334 2.930 20 0 GFADRO Cc1c([C@@H](C)NC[C@H]2CCC[NH2+]C2)nnn1-c1cccc(Br)c1 ZINC000423207034 563358562 /nfs/dbraw/zinc/35/85/62/563358562.db2.gz GKPVUKBJPVCCMT-OCCSQVGLSA-N 1 0 378.318 2.988 20 0 GFADRO CC[N@@H+]1CC[C@H]2OCCN(CCC(=O)Nc3cccc(Br)c3)[C@H]2C1 ZINC000298544511 563358905 /nfs/dbraw/zinc/35/89/05/563358905.db2.gz XWKHUGTUVAQPHG-DLBZAZTESA-N 1 0 396.329 2.573 20 0 GFADRO O=C(COC1CC[NH2+]CC1)NCCOc1c(Cl)cc(Cl)cc1Cl ZINC000423255989 563359449 /nfs/dbraw/zinc/35/94/49/563359449.db2.gz BDZJDXLUTKPQGR-UHFFFAOYSA-N 1 0 381.687 2.910 20 0 GFADRO C[C@]1(C2CC[NH+](CCOc3cc(Cl)cc(Cl)c3)CC2)NC(=O)NC1=O ZINC000374104103 563361946 /nfs/dbraw/zinc/36/19/46/563361946.db2.gz CMLSLSFZSGDRPJ-QGZVFWFLSA-N 1 0 386.279 2.682 20 0 GFADRO [NH3+]C[C@H]1CCN(C(=O)C(=O)N2CCC(c3ccc(Cl)cc3Cl)CC2)C1 ZINC000423646837 563362596 /nfs/dbraw/zinc/36/25/96/563362596.db2.gz ZTJBQMJMFWUXMZ-GFCCVEGCSA-N 1 0 384.307 2.507 20 0 GFADRO O=C(NCCC[NH+]1CCCC1)C1CCN(c2ccc(Br)cn2)CC1 ZINC000298677493 563363028 /nfs/dbraw/zinc/36/30/28/563363028.db2.gz IOHKAEUKYJQEPP-UHFFFAOYSA-N 1 0 395.345 2.663 20 0 GFADRO C[C@@H]1CN(C(=O)C(=O)N2CCC(c3cccc(Cl)c3Cl)CC2)C[C@H]1[NH3+] ZINC000423733026 563363311 /nfs/dbraw/zinc/36/33/11/563363311.db2.gz BCYJOOUUWLOOTG-IAQYHMDHSA-N 1 0 384.307 2.505 20 0 GFADRO [NH3+]CCCn1cc(C(=O)N2CCC(Sc3ccc(Cl)cc3)CC2)nn1 ZINC000423825894 563363645 /nfs/dbraw/zinc/36/36/45/563363645.db2.gz XUJJDHVWDIEWHK-UHFFFAOYSA-N 1 0 379.917 2.677 20 0 GFADRO [NH3+]C[C@@H](NC(=O)c1cc(F)ccc1I)C1CCCC1 ZINC000423937919 563364397 /nfs/dbraw/zinc/36/43/97/563364397.db2.gz HDPMOKOUVJDDFX-CYBMUJFWSA-N 1 0 376.213 2.678 20 0 GFADRO C[NH+](C)CC1(NC(=O)c2cc(F)c(F)cc2I)CCC1 ZINC000281066709 563365035 /nfs/dbraw/zinc/36/50/35/563365035.db2.gz MFFPWGWDKBZMRC-UHFFFAOYSA-N 1 0 394.203 2.784 20 0 GFADRO CC(C)n1cc(Br)cc1C(=O)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000423944465 563365077 /nfs/dbraw/zinc/36/50/77/563365077.db2.gz FOEPJVWFOBVPAR-UHFFFAOYSA-N 1 0 397.361 2.778 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)NC1CCN(c2nccs2)CC1)c1cccs1 ZINC000281055228 563365141 /nfs/dbraw/zinc/36/51/41/563365141.db2.gz RAUZGXPTABBZJZ-CQSZACIVSA-N 1 0 379.555 2.776 20 0 GFADRO Cc1cnccc1CC[NH2+][C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000281074236 563365744 /nfs/dbraw/zinc/36/57/44/563365744.db2.gz IOWXPLPIFQFTEN-LBPRGKRZSA-N 1 0 398.326 2.693 20 0 GFADRO CC(C)(C)[C@@H](C[NH3+])NC(=O)c1nn(-c2ccc(F)cc2)cc1Br ZINC000423964766 563365840 /nfs/dbraw/zinc/36/58/40/563365840.db2.gz XQIWHKRUYWMOJB-CYBMUJFWSA-N 1 0 383.265 2.877 20 0 GFADRO Cc1nc(C(=O)N2CC[C@@H](C)[C@H](C[NH3+])C2)nn1-c1c(Cl)cccc1Cl ZINC000424016604 563366945 /nfs/dbraw/zinc/36/69/45/563366945.db2.gz OAUVXEKOTOUQGG-ZYHUDNBSSA-N 1 0 382.295 2.939 20 0 GFADRO CN(CCC[NH+]1CCCC1)C(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000281231525 563370485 /nfs/dbraw/zinc/37/04/85/563370485.db2.gz CCWYRJWXVNSASD-UHFFFAOYSA-N 1 0 375.441 2.633 20 0 GFADRO CCOC[C@H]([NH2+][C@H](C)c1ccc(Br)c(S(N)(=O)=O)c1)C(C)C ZINC000281270647 563371506 /nfs/dbraw/zinc/37/15/06/563371506.db2.gz YONXCFJBXFZFJJ-RISCZKNCSA-N 1 0 393.347 2.808 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2C(=O)Cc1ccccc1Br ZINC000374420839 563371981 /nfs/dbraw/zinc/37/19/81/563371981.db2.gz MAKIUWRLNMHOAR-HYVNUMGLSA-N 1 0 381.314 2.702 20 0 GFADRO CN1CC[C@H](C[NH2+]Cc2c(F)ccc(I)c2F)CC1=O ZINC000424186156 563372517 /nfs/dbraw/zinc/37/25/17/563372517.db2.gz HZCDUEKICJEYAM-VIFPVBQESA-N 1 0 394.203 2.527 20 0 GFADRO COc1cc(C)c(Br)cc1NC(=O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000424174472 563372575 /nfs/dbraw/zinc/37/25/75/563372575.db2.gz PEIJKBVBKDOPAH-NSHDSACASA-N 1 0 394.273 2.534 20 0 GFADRO C[C@@H]1CC2(CN1C(=O)CNC(=O)c1ccc(Cl)c(Cl)c1)CC[NH2+]CC2 ZINC000424222980 563374325 /nfs/dbraw/zinc/37/43/25/563374325.db2.gz KFSJKQKTPCCRAX-GFCCVEGCSA-N 1 0 384.307 2.714 20 0 GFADRO Cn1cc([C@@H]2CN(CCOc3ccc(Cl)cc3Br)C[C@H]2[NH3+])cn1 ZINC000424293460 563375642 /nfs/dbraw/zinc/37/56/42/563375642.db2.gz NWCDUVCPUJYYKQ-DZGCQCFKSA-N 1 0 399.720 2.642 20 0 GFADRO COC(=O)CC1CC([NH2+]Cc2nnc(-c3ccc(Br)cc3)[nH]2)C1 ZINC000424300104 563375673 /nfs/dbraw/zinc/37/56/73/563375673.db2.gz JQMOCAMKZFYIIK-UHFFFAOYSA-N 1 0 379.258 2.666 20 0 GFADRO C[C@@H]([NH2+]CCCCS(C)(=O)=O)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000424306168 563375969 /nfs/dbraw/zinc/37/59/69/563375969.db2.gz HBWGYMJQEBMNLQ-OAHLLOKOSA-N 1 0 387.567 2.878 20 0 GFADRO Cn1cc([C@@H]2CN(Cc3cc(Br)c(Cl)s3)C[C@H]2[NH3+])cn1 ZINC000424373021 563377351 /nfs/dbraw/zinc/37/73/51/563377351.db2.gz GIBYHMOJAJLFGE-CMPLNLGQSA-N 1 0 375.723 2.824 20 0 GFADRO CS(=O)(=O)c1cc(C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c(Cl)cc1Cl ZINC000374612757 563378178 /nfs/dbraw/zinc/37/81/78/563378178.db2.gz POHNPHHHRBFUPV-PXWWUCIGSA-N 1 0 391.320 2.596 20 0 GFADRO Cc1cn2c(n1)CN(C(=O)c1ccc(C)c(I)c1)CC2 ZINC000374650997 563378747 /nfs/dbraw/zinc/37/87/47/563378747.db2.gz ZQXQRIZUUDMHEF-UHFFFAOYSA-N 1 0 381.217 2.761 20 0 GFADRO [NH3+][C@@H]1CCCC[C@H]1NC(=O)N[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000424453953 563379214 /nfs/dbraw/zinc/37/92/14/563379214.db2.gz MXZVXFVTHLVASZ-FVQBIDKESA-N 1 0 381.318 2.597 20 0 GFADRO [NH3+][C@@H]1CCCC[C@H]1NC(=O)N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000424463662 563379286 /nfs/dbraw/zinc/37/92/86/563379286.db2.gz OKSQSVZFHSQPKA-KFWWJZLASA-N 1 0 385.295 2.668 20 0 GFADRO [NH3+][C@@H]1CCCC[C@H]1NC(=O)N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000424459603 563379543 /nfs/dbraw/zinc/37/95/43/563379543.db2.gz GRSBQBDLULFPEL-MGPQQGTHSA-N 1 0 385.295 2.668 20 0 GFADRO Cc1cc(NC(=O)C(=O)N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cc(F)c1Br ZINC000299278916 563379741 /nfs/dbraw/zinc/37/97/41/563379741.db2.gz MXJLMSZCHSRJQE-PWSUYJOCSA-N 1 0 398.276 2.577 20 0 GFADRO [NH3+][C@@H]1CCCN(C(=O)NCc2cc(Cl)cc(I)c2)C1 ZINC000424474672 563380363 /nfs/dbraw/zinc/38/03/63/563380363.db2.gz YFVIVKWSYNTHPE-GFCCVEGCSA-N 1 0 393.656 2.577 20 0 GFADRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(=O)Nc1cc(Cl)c(N)c(Cl)c1 ZINC000299442029 563383628 /nfs/dbraw/zinc/38/36/28/563383628.db2.gz YIYJSTQBLGLZKQ-LBPRGKRZSA-N 1 0 387.311 2.847 20 0 GFADRO CC[N@@H+]1CCC[C@@H](CNC(=O)Cc2noc3ccc(Br)cc32)C1 ZINC000424628212 563384446 /nfs/dbraw/zinc/38/44/46/563384446.db2.gz PJCQFMXGEUGPBP-LBPRGKRZSA-N 1 0 380.286 2.981 20 0 GFADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cc(Br)c(C)s3)C2)CC1 ZINC000424654645 563385740 /nfs/dbraw/zinc/38/57/40/563385740.db2.gz UYEMAHALXBNFJT-CYBMUJFWSA-N 1 0 386.359 2.671 20 0 GFADRO COc1cc(Br)c(C[N@@H+]2CCCC[C@H]2[C@@H]2CNC(=O)C2)cc1O ZINC000374897484 563385847 /nfs/dbraw/zinc/38/58/47/563385847.db2.gz PXWXXEYSKQYUNI-FZMZJTMJSA-N 1 0 383.286 2.654 20 0 GFADRO CC[NH+]1CCC(NC(=O)c2cc(F)ccc2I)CC1 ZINC000299564956 563386124 /nfs/dbraw/zinc/38/61/24/563386124.db2.gz BHZNBEHIAZLJEU-UHFFFAOYSA-N 1 0 376.213 2.644 20 0 GFADRO O=C(C[N@@H+]1CC[C@@H](Cc2ccncc2)C1)Nc1ccc(Br)cn1 ZINC000374932217 563386328 /nfs/dbraw/zinc/38/63/28/563386328.db2.gz PVXJFMKWHKOQNG-AWEZNQCLSA-N 1 0 375.270 2.742 20 0 GFADRO C[NH+]1CCC(CCNC(=O)C[C@H]2Sc3ccc(Cl)cc3NC2=O)CC1 ZINC000299671251 563388848 /nfs/dbraw/zinc/38/88/48/563388848.db2.gz PFUWMRRJCBEUTC-MRXNPFEDSA-N 1 0 381.929 2.991 20 0 GFADRO C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+]CCS(=O)(=O)C(C)(C)C ZINC000375075835 563389484 /nfs/dbraw/zinc/38/94/84/563389484.db2.gz VGBKXCCRDDDERJ-CABCVRRESA-N 1 0 376.563 2.825 20 0 GFADRO C[C@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1[NH2+]CCS(=O)(=O)C(C)(C)C ZINC000375075838 563389518 /nfs/dbraw/zinc/38/95/18/563389518.db2.gz VGBKXCCRDDDERJ-LSDHHAIUSA-N 1 0 376.563 2.825 20 0 GFADRO CC(C)[C@H]1CN(C(=O)Cc2noc3ccc(Br)cc32)CC[N@@H+]1C ZINC000424800307 563392355 /nfs/dbraw/zinc/39/23/55/563392355.db2.gz IPIUZFCPJCLNMD-OAHLLOKOSA-N 1 0 380.286 2.931 20 0 GFADRO O=S(=O)(CCC(F)(F)F)NCC1CC[NH+](Cc2ccccc2F)CC1 ZINC000375187518 563394069 /nfs/dbraw/zinc/39/40/69/563394069.db2.gz JFLOIRAUBLVWBI-UHFFFAOYSA-N 1 0 382.423 2.910 20 0 GFADRO C[C@H]([NH2+][C@H]1CCOc2c(Br)cccc21)C(=O)NC[C@H]1CCCO1 ZINC000282104175 563397719 /nfs/dbraw/zinc/39/77/19/563397719.db2.gz PNCQJNORNXSCHU-ZOWXZIJZSA-N 1 0 383.286 2.546 20 0 GFADRO COCC(C)(C)[NH+]1CCN(C(=O)CCOc2ccccc2Br)CC1 ZINC000425000488 563400603 /nfs/dbraw/zinc/40/06/03/563400603.db2.gz NIOMFSYDGKCRHR-UHFFFAOYSA-N 1 0 399.329 2.787 20 0 GFADRO CC[C@@H](C(=O)N1C[C@H](C(=O)OC)[C@@H](c2ccc(Br)cc2)C1)[NH+](C)C ZINC000425005353 563400891 /nfs/dbraw/zinc/40/08/91/563400891.db2.gz ARDVKGXREOBURA-PMPSAXMXSA-N 1 0 397.313 2.504 20 0 GFADRO CC[NH+]1CCN(c2ccc(CNc3cncc(Br)c3)cn2)CC1 ZINC000301352965 563400985 /nfs/dbraw/zinc/40/09/85/563400985.db2.gz JOHMMJVQTJHPQZ-UHFFFAOYSA-N 1 0 376.302 2.993 20 0 GFADRO C[N@@H+]1C[C@@H]2CCCN(C(=O)c3cnn(-c4cccc(Br)c4)c3)[C@@H]2C1 ZINC000425058058 563402578 /nfs/dbraw/zinc/40/25/78/563402578.db2.gz OCWBNCCULMAXPU-SUMWQHHRSA-N 1 0 389.297 2.801 20 0 GFADRO Cn1ncc(NC[C@@H](c2ccc(Cl)cc2)[NH+](C)C)c(Br)c1=O ZINC000301454447 563404710 /nfs/dbraw/zinc/40/47/10/563404710.db2.gz BJVKJVMYEVAZPG-ZDUSSCGKSA-N 1 0 385.693 2.911 20 0 GFADRO CN(CC[NH+](C)C)c1ccc(Br)cc1NC(=O)CC1(O)CCC1 ZINC000425099388 563404808 /nfs/dbraw/zinc/40/48/08/563404808.db2.gz PHDNZOGOWKWTBS-UHFFFAOYSA-N 1 0 384.318 2.691 20 0 GFADRO Cc1ncc(CN2CC[C@H]([NH2+]CC(=O)NCc3cccs3)[C@H](C)C2)s1 ZINC000375510881 563408048 /nfs/dbraw/zinc/40/80/48/563408048.db2.gz DXAKAYOMAFLMOV-DYVFJYSZSA-N 1 0 378.567 2.629 20 0 GFADRO OC[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1Nc1ncc(Br)cn1 ZINC000301738134 563411705 /nfs/dbraw/zinc/41/17/05/563411705.db2.gz WAQHSIXIKKIIDG-GDBMZVCRSA-N 1 0 377.286 2.534 20 0 GFADRO COc1cc2[nH+]ccc(NCC3(CO)CCOCC3)c2cc1Br ZINC000425235748 563414366 /nfs/dbraw/zinc/41/43/66/563414366.db2.gz IVEYIHNZINFRLQ-UHFFFAOYSA-N 1 0 381.270 2.629 20 0 GFADRO COc1cc2[nH+]ccc(N3CCN4CCOC[C@@H]4C3)c2cc1Br ZINC000425247840 563414590 /nfs/dbraw/zinc/41/45/90/563414590.db2.gz PJWJTSLUMTYCTJ-LBPRGKRZSA-N 1 0 378.270 2.527 20 0 GFADRO Cc1cnc(NCCC[N@@H+]2CCCO[C@@H](C)C2)c(I)c1 ZINC000425258705 563415495 /nfs/dbraw/zinc/41/54/95/563415495.db2.gz KSDSTXDNLBBRNZ-ZDUSSCGKSA-N 1 0 389.281 2.907 20 0 GFADRO COC(=O)[C@@H]1C[N@H+](Cc2cnn(C)c2C)C[C@H]1c1ccc(Br)cc1 ZINC000425346509 563418550 /nfs/dbraw/zinc/41/85/50/563418550.db2.gz JIULRRVMTTYQKK-DLBZAZTESA-N 1 0 392.297 2.880 20 0 GFADRO CS[C@@H]1CC[C@H]1[NH2+]C[C@H](O)COc1ccc(I)cc1 ZINC000425337943 563418749 /nfs/dbraw/zinc/41/87/49/563418749.db2.gz ANTWICALRSKRCJ-IACUBPJLSA-N 1 0 393.290 2.515 20 0 GFADRO COC(=O)c1ccc(C[NH2+]CC(=O)Nc2ccc(Br)c(C)c2)[nH]1 ZINC000425341152 563419132 /nfs/dbraw/zinc/41/91/32/563419132.db2.gz CFMFOQDLALYDOR-UHFFFAOYSA-N 1 0 380.242 2.601 20 0 GFADRO CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@H+]1CC(=O)N(C)Cc1ccc(Cl)s1 ZINC000375819105 563419373 /nfs/dbraw/zinc/41/93/73/563419373.db2.gz YZBPPODTRSMALF-JKSUJKDBSA-N 1 0 383.945 2.835 20 0 GFADRO CS[C@H]1CC[C@@H]1[NH2+]CCCNS(=O)(=O)c1ccccc1Br ZINC000425389083 563419645 /nfs/dbraw/zinc/41/96/45/563419645.db2.gz WTSLXCKWPWAYIG-STQMWFEESA-N 1 0 393.372 2.601 20 0 GFADRO O=S(=O)(c1cccs1)N1CC[C@H](C[NH2+][C@@H]2CCCC23CCOCC3)C1 ZINC000375840100 563420637 /nfs/dbraw/zinc/42/06/37/563420637.db2.gz OKDUFKVIONVNND-HZPDHXFCSA-N 1 0 384.567 2.698 20 0 GFADRO C[C@H]([NH2+]CC(=O)NCc1ccc(S(C)(=O)=O)cc1)c1ccc(Cl)cc1 ZINC000425471214 563423809 /nfs/dbraw/zinc/42/38/09/563423809.db2.gz HRCGAIVWQMGRRB-ZDUSSCGKSA-N 1 0 380.897 2.711 20 0 GFADRO COC(=O)[C@@H](CC[N@H+](C)CCn1cc(Br)cn1)c1ccccc1 ZINC000425462627 563423971 /nfs/dbraw/zinc/42/39/71/563423971.db2.gz WRKAZPYQCLPJKZ-INIZCTEOSA-N 1 0 380.286 2.924 20 0 GFADRO C[C@@H]([NH2+][C@@H]1CCC(=O)NC12CCC2)C(=O)Nc1ccc(Br)cc1 ZINC000282769198 563424508 /nfs/dbraw/zinc/42/45/08/563424508.db2.gz LOZPWGITMUTFRU-BXUZGUMPSA-N 1 0 380.286 2.567 20 0 GFADRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)NCCCCn2cc(Br)cn2)C1 ZINC000375985367 563425688 /nfs/dbraw/zinc/42/56/88/563425688.db2.gz DPYFYUHDEADSRS-ZBFHGGJFSA-N 1 0 398.349 2.552 20 0 GFADRO Cc1nn2c(nc(C)c2C[NH2+]C[C@@H](O)c2cccc(Br)c2)s1 ZINC000282829199 563426428 /nfs/dbraw/zinc/42/64/28/563426428.db2.gz NXLXJEOQBUCJOH-CQSZACIVSA-N 1 0 381.299 2.993 20 0 GFADRO C[C@@H](C(=O)Nc1cccc(Br)c1)[NH+]1CCC2(CCN(C)C2=O)CC1 ZINC000376045012 563427790 /nfs/dbraw/zinc/42/77/90/563427790.db2.gz MZLVAKPLLBUTFO-ZDUSSCGKSA-N 1 0 394.313 2.720 20 0 GFADRO COCC[N@H+](C)C[C@@H](O)COc1c(Br)cccc1Br ZINC000311439101 563435709 /nfs/dbraw/zinc/43/57/09/563435709.db2.gz FYVABHXRPKQFRR-SNVBAGLBSA-N 1 0 397.107 2.530 20 0 GFADRO [NH3+][C@@H]1CCC[C@]12CCN(C(=O)c1ccn(-c3cccc(Br)c3)n1)C2 ZINC000376458500 563443393 /nfs/dbraw/zinc/44/33/93/563443393.db2.gz RIISRNCXRDXNFJ-SJLPKXTDSA-N 1 0 389.297 2.978 20 0 GFADRO Cc1cc(NC(=O)C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@@H]2C)cc(C)c1Br ZINC000426286376 563448030 /nfs/dbraw/zinc/44/80/30/563448030.db2.gz NOFSLBFKVDXEJY-SWLSCSKDSA-N 1 0 394.313 2.603 20 0 GFADRO O=C(c1[nH]nc(-c2ccccc2)c1Br)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000376649882 563449443 /nfs/dbraw/zinc/44/94/43/563449443.db2.gz ZRKUHDYNFKEVOX-AAEUAGOBSA-N 1 0 375.270 2.663 20 0 GFADRO CC(C)[NH+]1CCN(C(=O)N[C@@H]2CCN(c3cccc(Br)c3)C2)CC1 ZINC000426441246 563450863 /nfs/dbraw/zinc/45/08/63/563450863.db2.gz WQSUCOJFUZJPHO-MRXNPFEDSA-N 1 0 395.345 2.763 20 0 GFADRO CCc1cccc(OC[C@@H](O)C[NH2+]CCCn2cc(Br)cn2)c1 ZINC000323927669 563451239 /nfs/dbraw/zinc/45/12/39/563451239.db2.gz OTXFVKKETVPMIH-INIZCTEOSA-N 1 0 382.302 2.628 20 0 GFADRO O=C(Nc1ncc(C(F)(F)F)s1)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000283707988 563452000 /nfs/dbraw/zinc/45/20/00/563452000.db2.gz YHGXWZPQRNJZAS-GHMZBOCLSA-N 1 0 378.420 2.661 20 0 GFADRO COc1cc(Br)ccc1C(=O)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000325363621 563453934 /nfs/dbraw/zinc/45/39/34/563453934.db2.gz ADLUKUYYDFIOMQ-OAHLLOKOSA-N 1 0 397.313 2.785 20 0 GFADRO O=C(c1cc(Cl)c[nH]1)N1CCC([NH2+][C@H]2CCO[C@@H](C(F)(F)F)C2)CC1 ZINC000376902680 563457586 /nfs/dbraw/zinc/45/75/86/563457586.db2.gz JUDMJZMKSLLCAJ-GXTWGEPZSA-N 1 0 379.810 2.972 20 0 GFADRO Cc1c2cc(Br)cc(C)c2oc1C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000427008341 563458778 /nfs/dbraw/zinc/45/87/78/563458778.db2.gz LQNRDAMDNBSOPF-CQSZACIVSA-N 1 0 394.313 2.788 20 0 GFADRO C[N@H+](CC(=O)N1CCc2sccc2[C@H]1c1cccs1)CC1(CO)CC1 ZINC000377013089 563460686 /nfs/dbraw/zinc/46/06/86/563460686.db2.gz IPUVHXPAJNEBKE-SFHVURJKSA-N 1 0 376.547 2.988 20 0 GFADRO CCS(=O)(=O)c1ccc([C@H](C)[NH2+]C[C@@H](O)COCc2cccs2)cc1 ZINC000283993039 563461026 /nfs/dbraw/zinc/46/10/26/563461026.db2.gz DFLMBCPIYRJJNM-GOEBONIOSA-N 1 0 383.535 2.770 20 0 GFADRO C[C@H]([NH2+]CCCNC(=O)c1cccc(Br)c1)C(C)(C)n1cncn1 ZINC000284006875 563461708 /nfs/dbraw/zinc/46/17/08/563461708.db2.gz IAZJKUKNLAQIDJ-ZDUSSCGKSA-N 1 0 394.317 2.574 20 0 GFADRO O=C(c1cc(-c2ccc(Br)cc2)n[nH]1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000328686665 563463134 /nfs/dbraw/zinc/46/31/34/563463134.db2.gz YLIXOJXONFMRKF-AWEZNQCLSA-N 1 0 375.270 2.759 20 0 GFADRO CC(C)[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000328741682 563464037 /nfs/dbraw/zinc/46/40/37/563464037.db2.gz NOTOLOQOAYQJAX-XJKCOSOUSA-N 1 0 383.945 2.851 20 0 GFADRO Cc1ccsc1S(=O)(=O)N1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000427281998 563464595 /nfs/dbraw/zinc/46/45/95/563464595.db2.gz RZYRSAJYZIHRIV-HOTGVXAUSA-N 1 0 386.583 2.957 20 0 GFADRO CCn1cc(Br)cc1C(=O)N1CCC(C)(C[NH+]2CCOCC2)CC1 ZINC000377165159 563465658 /nfs/dbraw/zinc/46/56/58/563465658.db2.gz MPNMVNJDLKHXNT-UHFFFAOYSA-N 1 0 398.345 2.845 20 0 GFADRO CN(C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1)C(=O)c1cc(Br)cn1C ZINC000377217238 563467348 /nfs/dbraw/zinc/46/73/48/563467348.db2.gz XXDIYQVWEWTLFE-YOEHRIQHSA-N 1 0 391.313 2.948 20 0 GFADRO C[C@@H](O)C[N@@H+]1CCN(Cc2nc(-c3cccc(Br)c3)c[nH]2)[C@@H](C)C1 ZINC000328925078 563468386 /nfs/dbraw/zinc/46/83/86/563468386.db2.gz OACLYZNQVGPXLA-UONOGXRCSA-N 1 0 393.329 2.726 20 0 GFADRO O[C@]1(Cn2ccnn2)CCC[N@@H+]([C@H]2CCCc3ccc(Br)cc32)C1 ZINC000328953641 563469008 /nfs/dbraw/zinc/46/90/08/563469008.db2.gz OFDXHEIEKIJUNI-ZWKOTPCHSA-N 1 0 391.313 2.945 20 0 GFADRO C[C@H]1CN(C(=O)Cc2ccccc2Br)CCN1C1CC[NH+](C)CC1 ZINC000377260409 563469198 /nfs/dbraw/zinc/46/91/98/563469198.db2.gz YKUUHUQBANQSKZ-HNNXBMFYSA-N 1 0 394.357 2.619 20 0 GFADRO C[C@H]([NH2+]C1CCN(Cc2cccs2)CC1)c1cccc(S(N)(=O)=O)c1 ZINC000377342966 563471821 /nfs/dbraw/zinc/47/18/21/563471821.db2.gz CFTCCPDIHRJWNX-AWEZNQCLSA-N 1 0 379.551 2.711 20 0 GFADRO O[C@H](COc1c(Cl)cccc1Cl)CN1CCOC[C@@H]1[C@@H]1CCCO1 ZINC000329076709 563472596 /nfs/dbraw/zinc/47/25/96/563472596.db2.gz QAWPFVSCUKWWCB-MAZHCROVSA-N 1 0 376.280 2.613 20 0 GFADRO O=C(Nc1cccc(I)c1)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000377411156 563473593 /nfs/dbraw/zinc/47/35/93/563473593.db2.gz HKAUOAUCSHUGTF-CQSZACIVSA-N 1 0 385.249 2.993 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)c2cc(Br)cnc2OCC2CC2)CC[N@@H+]1C ZINC000329152735 563473888 /nfs/dbraw/zinc/47/38/88/563473888.db2.gz BKQYQFYKIBBLMD-BXUZGUMPSA-N 1 0 382.302 2.845 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)C(=O)NCC(C)(C)c1cccs1)c1cccs1 ZINC000284444483 563474831 /nfs/dbraw/zinc/47/48/31/563474831.db2.gz PJXPSAZXLIZKEJ-ZDUSSCGKSA-N 1 0 379.551 2.623 20 0 GFADRO Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[NH2+][C@@H]1CCCS(=O)(=O)C1 ZINC000329269848 563477449 /nfs/dbraw/zinc/47/74/49/563477449.db2.gz INGYPOQLNOTZPG-QGZVFWFLSA-N 1 0 381.929 2.868 20 0 GFADRO [NH3+][C@H]1CCc2nc(NC(=O)CCc3nc(-c4ccsc4)no3)sc2C1 ZINC000377536724 563478260 /nfs/dbraw/zinc/47/82/60/563478260.db2.gz WLZGKAXOJFXUFH-JTQLQIEISA-N 1 0 375.479 2.642 20 0 GFADRO CCCN(C1CC[NH2+]CC1)S(=O)(=O)c1cccc(OC(F)(F)F)c1F ZINC000427959392 563479233 /nfs/dbraw/zinc/47/92/33/563479233.db2.gz QNFBFVDSGGXALT-UHFFFAOYSA-N 1 0 384.395 2.877 20 0 GFADRO CN1CC[NH+]([C@H]2CCCCN(Cc3cc(O)ccc3Br)C2)CC1 ZINC000377621221 563480914 /nfs/dbraw/zinc/48/09/14/563480914.db2.gz FQEINYCHUIRKST-INIZCTEOSA-N 1 0 382.346 2.757 20 0 GFADRO O=C(N[C@@H]1CCN(c2cccc(Br)c2)C1)[C@H]1CCC[N@@H+]1C1CC1 ZINC000428060767 563481410 /nfs/dbraw/zinc/48/14/10/563481410.db2.gz MECIOKFWRJTKMZ-RHSMWYFYSA-N 1 0 378.314 2.771 20 0 GFADRO COc1cc(C[NH2+][C@@H]2CCc3nc(C)ncc3C2)c(Br)cc1O ZINC000377652728 563482555 /nfs/dbraw/zinc/48/25/55/563482555.db2.gz XUXAGFQUPOJFDW-CYBMUJFWSA-N 1 0 378.270 2.909 20 0 GFADRO Cc1ncsc1CCS(=O)(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000329561898 563482820 /nfs/dbraw/zinc/48/28/20/563482820.db2.gz GHJHZWAFHHRNFQ-UHFFFAOYSA-N 1 0 385.599 2.912 20 0 GFADRO CC1(C)CC(NC(=O)c2nc3ccc(Br)cn3n2)CC(C)(C)[NH2+]1 ZINC000329596114 563483681 /nfs/dbraw/zinc/48/36/81/563483681.db2.gz PBDWUTTVEHUSGP-UHFFFAOYSA-N 1 0 380.290 2.531 20 0 GFADRO C[C@]1(O)CCOC[C@H]1[C@@H]1CCC[N@@H+]1Cc1nc2ccccn2c1Br ZINC000377704132 563483927 /nfs/dbraw/zinc/48/39/27/563483927.db2.gz VYHBZOFWXNDRBN-YEWWUXTCSA-N 1 0 394.313 2.849 20 0 GFADRO O=c1cc(C[N@@H+]2C[C@@H](c3ccc(Cl)cc3)[C@H](CO)C2)nc2sccn21 ZINC000377732667 563484971 /nfs/dbraw/zinc/48/49/71/563484971.db2.gz NWIWRGZSBGOOGU-BBRMVZONSA-N 1 0 375.881 2.617 20 0 GFADRO C[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccc(Cl)nc2)[C@@H]1c1cccs1 ZINC000377765927 563485804 /nfs/dbraw/zinc/48/58/04/563485804.db2.gz YCQZFKKENXIXEZ-XHDPSFHLSA-N 1 0 378.885 2.544 20 0 GFADRO CCC[N@H+](CC)CCNC(=O)N1CCC(n2cc(Br)cn2)CC1 ZINC000377929968 563491556 /nfs/dbraw/zinc/49/15/56/563491556.db2.gz BGYLGZISXOOAKH-UHFFFAOYSA-N 1 0 386.338 2.724 20 0 GFADRO CN1C(=O)N[C@@]2(CCC[C@H]2C[NH2+]Cc2csc(-c3cccs3)n2)C1=O ZINC000377976138 563492393 /nfs/dbraw/zinc/49/23/93/563492393.db2.gz HPRDVBMRNGWRNF-APPDUMDISA-N 1 0 376.507 2.682 20 0 GFADRO C[C@H]1CN(Cc2ccc(Br)c(Br)c2)CC[N@@H+]1CCO ZINC000428455684 563493069 /nfs/dbraw/zinc/49/30/69/563493069.db2.gz GOAIBGCAHIGPFA-NSHDSACASA-N 1 0 392.135 2.710 20 0 GFADRO O=C(Nc1cccc(C[N@H+]2CC[C@@H](O)C2)c1)c1ncccc1Br ZINC000428533522 563495006 /nfs/dbraw/zinc/49/50/06/563495006.db2.gz HFQHBNYLPTVUCW-CQSZACIVSA-N 1 0 376.254 2.663 20 0 GFADRO Cc1[nH]nc2ncc(C[NH2+]C[C@H](CO)Cc3ccccc3Br)cc12 ZINC000428534255 563495038 /nfs/dbraw/zinc/49/50/38/563495038.db2.gz FVKWJGQTRBQRHH-CQSZACIVSA-N 1 0 389.297 2.970 20 0 GFADRO Cn1nnc2cc(C[NH2+]C[C@@H](CO)Cc3ccccc3Br)ccc21 ZINC000428541586 563495486 /nfs/dbraw/zinc/49/54/86/563495486.db2.gz PTJBOBKTIGWHSS-AWEZNQCLSA-N 1 0 389.297 2.672 20 0 GFADRO O=C(Nc1nnc(CC(F)(F)F)s1)N1CC[NH+](C2CCCCC2)CC1 ZINC000330120468 563496349 /nfs/dbraw/zinc/49/63/49/563496349.db2.gz JAIJIDUYDRFJGC-UHFFFAOYSA-N 1 0 377.436 3.125 20 0 GFADRO [NH3+]C[C@@H]1CCCN(C(=O)c2ccc(I)cc2Cl)C1 ZINC000428612542 563497365 /nfs/dbraw/zinc/49/73/65/563497365.db2.gz ROAAGERUNAFZCL-VIFPVBQESA-N 1 0 378.641 2.756 20 0 GFADRO O=S1(=O)CCC(O)(C[NH2+][C@@H]2CCCOc3c(Cl)c(Cl)ccc32)CC1 ZINC000378181982 563498248 /nfs/dbraw/zinc/49/82/48/563498248.db2.gz GUSQHQMUNTXWRJ-CYBMUJFWSA-N 1 0 394.320 2.736 20 0 GFADRO CC(C)[NH+]1CCC(NC(=O)C(=O)NCCc2c(Cl)cccc2Cl)CC1 ZINC000285057277 563500788 /nfs/dbraw/zinc/50/07/88/563500788.db2.gz VWJRQQNXHCWOKE-UHFFFAOYSA-N 1 0 386.323 2.641 20 0 GFADRO C[C@@H](NC(=O)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1)c1cccc(Cl)c1Cl ZINC000285123694 563504252 /nfs/dbraw/zinc/50/42/52/563504252.db2.gz LDZWUKNLUMQQNE-NEPJUHHUSA-N 1 0 384.307 2.771 20 0 GFADRO Cc1ccc(Br)c(C(=O)N2CCN(C3CC[NH+](C)CC3)[C@@H](C)C2)c1 ZINC000378373994 563504361 /nfs/dbraw/zinc/50/43/61/563504361.db2.gz XFRAQJBJQRJZEM-HNNXBMFYSA-N 1 0 394.357 2.998 20 0 GFADRO C[C@H](NC(=O)[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)[C@H]1CCC[NH2+]C1 ZINC000428966280 563505471 /nfs/dbraw/zinc/50/54/71/563505471.db2.gz JXGVSQXDHQDEGU-SGMGOOAPSA-N 1 0 384.307 2.851 20 0 GFADRO C[C@H]([NH2+]C[C@H]1CCN(C)[C@H]1c1cccs1)c1ccc(S(N)(=O)=O)cc1 ZINC000378434674 563506820 /nfs/dbraw/zinc/50/68/20/563506820.db2.gz SZYCSFSBYJXOFV-JCKWVBRZSA-N 1 0 379.551 2.739 20 0 GFADRO C[C@H](NC[C@@H]1CC[N@H+](C)[C@@H]1c1cccs1)c1cccc(S(N)(=O)=O)c1 ZINC000378435974 563506865 /nfs/dbraw/zinc/50/68/65/563506865.db2.gz WIWWIRACOMIPRH-YEWWUXTCSA-N 1 0 379.551 2.739 20 0 GFADRO C[C@H]([NH2+]C[C@H]1CCC[C@@]12NC(=O)N(C)C2=O)c1cc(Br)ccc1F ZINC000378470038 563508551 /nfs/dbraw/zinc/50/85/51/563508551.db2.gz AJCLAGWCZBXBLD-WVQJBOLRSA-N 1 0 398.276 2.959 20 0 GFADRO CC[C@@H]([NH2+]CC1(O)CCS(=O)(=O)CC1)c1cc(F)cc(Br)c1 ZINC000330511530 563508806 /nfs/dbraw/zinc/50/88/06/563508806.db2.gz FERVYVFJFMVUIL-CQSZACIVSA-N 1 0 394.306 2.569 20 0 GFADRO O=C(C[NH2+][C@@H](c1cc(Cl)ccc1Cl)[C@H]1CCOC1)NC1CCOCC1 ZINC000378496673 563509391 /nfs/dbraw/zinc/50/93/91/563509391.db2.gz LUPFRNINLFIPRT-KPZWWZAWSA-N 1 0 387.307 2.956 20 0 GFADRO CCOc1cc(Br)c(CC(=O)N2CC[C@@H]([NH3+])[C@H](C)C2)cc1OCC ZINC000429156453 563510911 /nfs/dbraw/zinc/51/09/11/563510911.db2.gz FHOOUWWBJWLLPE-IUODEOHRSA-N 1 0 399.329 2.985 20 0 GFADRO Cc1cc(C(=O)N2CC[C@H]([NH3+])[C@@H](C)C2)nn1-c1ccc(Br)cc1 ZINC000429183270 563511636 /nfs/dbraw/zinc/51/16/36/563511636.db2.gz NZXJRQIQLBHIQP-NHYWBVRUSA-N 1 0 377.286 2.753 20 0 GFADRO Oc1cccc2c1C[C@H]([NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1)C2 ZINC000429231848 563512675 /nfs/dbraw/zinc/51/26/75/563512675.db2.gz QZLCLGHTMUJZIB-HUUCEWRRSA-N 1 0 396.256 2.791 20 0 GFADRO CC(C)C[C@@H]1CN(Cc2ccc(Cl)cc2)CC[N@@H+]1CCCS(N)(=O)=O ZINC000429280002 563513039 /nfs/dbraw/zinc/51/30/39/563513039.db2.gz NYISMDYYZRHKJG-GOSISDBHSA-N 1 0 387.977 2.551 20 0 GFADRO COc1cc(Br)ccc1CCC[NH+]1CCN([C@H]2CCOC2)CC1 ZINC000378651124 563513691 /nfs/dbraw/zinc/51/36/91/563513691.db2.gz NQJGJXPAHWICQF-KRWDZBQOSA-N 1 0 383.330 2.797 20 0 GFADRO CC1(C)NC(=O)N(CC[NH2+][C@@H]2c3cccc(Br)c3CC2(C)C)C1=O ZINC000429400747 563516444 /nfs/dbraw/zinc/51/64/44/563516444.db2.gz OZFVQIILSAMYTL-CQSZACIVSA-N 1 0 394.313 2.993 20 0 GFADRO O=C(c1cn2ccc(Br)cc2n1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000285394864 563518633 /nfs/dbraw/zinc/51/86/33/563518633.db2.gz AMVXNJRMIIIXMC-ZDUSSCGKSA-N 1 0 377.286 2.655 20 0 GFADRO C[N@H+](CCNCc1ncc(I)s1)Cc1ccccc1 ZINC000386804434 563518790 /nfs/dbraw/zinc/51/87/90/563518790.db2.gz QRUFDSDYZRXWCP-UHFFFAOYSA-N 1 0 387.290 2.969 20 0 GFADRO Cc1cc(COc2ccc(C(=O)N[C@@H](C[NH3+])C3CC3)cc2Br)no1 ZINC000429558784 563519168 /nfs/dbraw/zinc/51/91/68/563519168.db2.gz VEMZJZVDEIKPRM-HNNXBMFYSA-N 1 0 394.269 2.792 20 0 GFADRO CNC(=O)[C@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1ccc(Br)cc1Cl ZINC000429762572 563521802 /nfs/dbraw/zinc/52/18/02/563521802.db2.gz GJAITUBKAHWBJT-JQWIXIFHSA-N 1 0 388.693 2.545 20 0 GFADRO C[NH2+]C(C)(C)CNC(=O)Nc1ccnn1Cc1cccc(Br)c1 ZINC000429752928 563521903 /nfs/dbraw/zinc/52/19/03/563521903.db2.gz PUAAJKSNMUZEND-UHFFFAOYSA-N 1 0 380.290 2.813 20 0 GFADRO C[C@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH2+]CCn1cncn1 ZINC000285465757 563522334 /nfs/dbraw/zinc/52/23/34/563522334.db2.gz NJUYUCPHDBYHDT-SNVBAGLBSA-N 1 0 375.782 2.957 20 0 GFADRO CN(C[C@@H]1CCCN(Cc2cc(F)ccc2Br)C1)S(C)(=O)=O ZINC000285495430 563523759 /nfs/dbraw/zinc/52/37/59/563523759.db2.gz DXWQKWVKUJPJII-LBPRGKRZSA-N 1 0 393.322 2.692 20 0 GFADRO CC(=O)c1cc(Br)ccc1OCC(=O)N(C)[C@H]1CC[N@@H+](C)C[C@H]1C ZINC000285621935 563529268 /nfs/dbraw/zinc/52/92/68/563529268.db2.gz KHTHYEPMYGDPQL-WBMJQRKESA-N 1 0 397.313 2.829 20 0 GFADRO COc1ccc(Br)cc1-c1nc(CN(C)[C@@H]2COC[C@H]2O)cs1 ZINC000285634202 563529862 /nfs/dbraw/zinc/52/98/62/563529862.db2.gz DAJHSTWVKCRSDP-ZIAGYGMSSA-N 1 0 399.310 2.773 20 0 GFADRO O=C(NC[C@H]1C[N@@H+]2CCN1CCC2)c1ccc2cc(Br)ccc2c1 ZINC000394741802 563530319 /nfs/dbraw/zinc/53/03/19/563530319.db2.gz IZLOUCVGUQEVIV-SFHVURJKSA-N 1 0 388.309 2.722 20 0 GFADRO O=C1NCCCC[C@@H]1[NH2+]Cc1cc(Br)cc(Br)c1 ZINC000394569340 563530372 /nfs/dbraw/zinc/53/03/72/563530372.db2.gz MXSOVUHIKLWYKS-LBPRGKRZSA-N 1 0 376.092 2.970 20 0 GFADRO CN(CC1CC[NH+](C)CC1)C(=O)CCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000285661564 563531090 /nfs/dbraw/zinc/53/10/90/563531090.db2.gz PTZQNZUEGFNAKY-UHFFFAOYSA-N 1 0 386.945 2.694 20 0 GFADRO Cc1nc(N[C@@H](C[N@H+](C)Cc2ccccc2)C(C)C)sc1S(N)(=O)=O ZINC000398041598 563532624 /nfs/dbraw/zinc/53/26/24/563532624.db2.gz SFQYUHFALDIYJP-HNNXBMFYSA-N 1 0 382.555 2.667 20 0 GFADRO Cc1nc(N[C@H](C[N@H+](C)Cc2ccccc2)C(C)C)sc1S(N)(=O)=O ZINC000398041599 563532844 /nfs/dbraw/zinc/53/28/44/563532844.db2.gz SFQYUHFALDIYJP-OAHLLOKOSA-N 1 0 382.555 2.667 20 0 GFADRO CN(Cc1ccccc1Br)C(=O)C[N@@H+]1C[C@@H]2CC[C@H](O)C[C@@H]2C1 ZINC000398793779 563533742 /nfs/dbraw/zinc/53/37/42/563533742.db2.gz QOSWCUBCCWJUBS-IMJJTQAJSA-N 1 0 381.314 2.500 20 0 GFADRO CS(=O)(=O)N1CC[C@@H]([NH2+]Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 ZINC000400242460 563534415 /nfs/dbraw/zinc/53/44/15/563534415.db2.gz IRNGYEWQPABYQG-GFCCVEGCSA-N 1 0 390.349 2.848 20 0 GFADRO CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@@H](CO)Cc1ccccc1Br ZINC000430131493 563534407 /nfs/dbraw/zinc/53/44/07/563534407.db2.gz YLJCNFBTCJMLCS-KGLIPLIRSA-N 1 0 385.346 2.883 20 0 GFADRO C[C@H]1C[C@@H]1[N@@H+]1CCN(Cc2ncc(I)s2)C[C@@H](C)C1 ZINC000430130143 563534612 /nfs/dbraw/zinc/53/46/12/563534612.db2.gz JMVMTMWXBWEUQF-WOPDTQHZSA-N 1 0 391.322 2.910 20 0 GFADRO CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@@H](CO)Cc1ccc(Br)cc1 ZINC000430155811 563536441 /nfs/dbraw/zinc/53/64/41/563536441.db2.gz CLQXCTJFNQVJCJ-HIFRSBDPSA-N 1 0 385.346 2.883 20 0 GFADRO CCOc1nc(C(F)(F)F)ccc1C(=O)N1C[C@H](SC)[C@@H]([NH+](C)C)C1 ZINC000430268801 563540118 /nfs/dbraw/zinc/54/01/18/563540118.db2.gz ODBQOXCAFIBYGY-RYUDHWBXSA-N 1 0 377.432 2.617 20 0 GFADRO CCOc1nc(C(F)(F)F)ccc1C(=O)N1C[C@@H](SC)[C@@H]([NH+](C)C)C1 ZINC000430268800 563540569 /nfs/dbraw/zinc/54/05/69/563540569.db2.gz ODBQOXCAFIBYGY-NWDGAFQWSA-N 1 0 377.432 2.617 20 0 GFADRO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)NCCC1CC[NH+](C)CC1 ZINC000286012333 563545251 /nfs/dbraw/zinc/54/52/51/563545251.db2.gz RASKBZGNXYKAPP-UHFFFAOYSA-N 1 0 386.323 2.800 20 0 GFADRO COc1ccc([C@H](C[NH+](C)C)NC(=O)c2ncccc2Br)cc1 ZINC000286035706 563546610 /nfs/dbraw/zinc/54/66/10/563546610.db2.gz KOUMYRBWNRZJEN-HNNXBMFYSA-N 1 0 378.270 2.885 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCCCN1Cc1csc(-c2ccc(S(C)(=O)=O)cc2)n1 ZINC000430600885 563546777 /nfs/dbraw/zinc/54/67/77/563546777.db2.gz IQBDKOKGIUGXDZ-SUMWQHHRSA-N 1 0 379.551 2.915 20 0 GFADRO C[C@@H]1CN(C(=O)c2cc(=O)[nH]c3c(Br)cccc23)C[C@H](C)[N@H+]1C ZINC000408170820 563546909 /nfs/dbraw/zinc/54/69/09/563546909.db2.gz YJIRQHBCPLEEOD-PHIMTYICSA-N 1 0 378.270 2.868 20 0 GFADRO CC[C@H]([NH2+][C@H](C)c1ccc(Br)c(S(N)(=O)=O)c1)[C@H]1CCCO1 ZINC000430695012 563547431 /nfs/dbraw/zinc/54/74/31/563547431.db2.gz LYTSJJJRWXYFIL-DDTOSNHZSA-N 1 0 391.331 2.705 20 0 GFADRO O[C@@H](CCc1ccccc1)C[NH2+]Cc1ncc(I)s1 ZINC000286074608 563547629 /nfs/dbraw/zinc/54/76/29/563547629.db2.gz SBEAIAQPBHZZAP-LBPRGKRZSA-N 1 0 388.274 2.831 20 0 GFADRO CNC(=O)[C@@]1(C)CC[N@H+](Cc2cn(-c3ccc(Br)cc3)nc2C)C1 ZINC000430773047 563548974 /nfs/dbraw/zinc/54/89/74/563548974.db2.gz PQRHLXGQWHXPTP-SFHVURJKSA-N 1 0 391.313 2.901 20 0 GFADRO CSc1ccsc1C(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000430900469 563550287 /nfs/dbraw/zinc/55/02/87/563550287.db2.gz ODMKDYRVNOCNTO-UHFFFAOYSA-N 1 0 383.583 2.827 20 0 GFADRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NS(=O)(=O)c1ccc(OC(F)F)c(Cl)c1 ZINC000331491881 563551163 /nfs/dbraw/zinc/55/11/63/563551163.db2.gz KRXFKMYNRHYFDE-ZANVPECISA-N 1 0 380.844 2.702 20 0 GFADRO Cc1ccc(Cl)c(OC[C@H](O)C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H](CO)C2)c1 ZINC000286342123 563557238 /nfs/dbraw/zinc/55/72/38/563557238.db2.gz FCIAPLDFISKSIT-MCIONIFRSA-N 1 0 381.822 2.881 20 0 GFADRO COc1ccc(Br)c(CS(=O)(=O)N(CC[NH+](C)C)C(C)C)c1 ZINC000409476342 563561484 /nfs/dbraw/zinc/56/14/84/563561484.db2.gz GSHUMTOXTRZZEF-UHFFFAOYSA-N 1 0 393.347 2.560 20 0 GFADRO Cc1cc(C)c(S(=O)(=O)N2CCN(C3CC[NH+](C(C)C)CC3)CC2)s1 ZINC000431555338 563562892 /nfs/dbraw/zinc/56/28/92/563562892.db2.gz HGDCZDJPHBTDCU-UHFFFAOYSA-N 1 0 385.599 2.544 20 0 GFADRO Cc1cc(Br)c(C[NH+]2CCC([C@@]3(C)NC(=O)NC3=O)CC2)s1 ZINC000331909540 563567044 /nfs/dbraw/zinc/56/70/44/563567044.db2.gz KHEVYXFWJQPIMS-OAHLLOKOSA-N 1 0 386.315 2.629 20 0 GFADRO COc1ccc(Cl)cc1NC(=O)CN1CC[C@@H](C(F)(F)F)[C@@H](CO)C1 ZINC000286616789 563567732 /nfs/dbraw/zinc/56/77/32/563567732.db2.gz RURVTTSUXVMRIB-ZYHUDNBSSA-N 1 0 380.794 2.780 20 0 GFADRO COc1ccc(Cl)cc1NC(=O)CN1CC[C@@H](C(F)(F)F)[C@H](CO)C1 ZINC000286616770 563568039 /nfs/dbraw/zinc/56/80/39/563568039.db2.gz RURVTTSUXVMRIB-CMPLNLGQSA-N 1 0 380.794 2.780 20 0 GFADRO C[N@@H+]1CCCC[C@H]1CCC(=O)NCCNC(=O)c1cccc(Br)c1 ZINC000431771916 563568498 /nfs/dbraw/zinc/56/84/98/563568498.db2.gz OZYWOQGSUXSLTP-INIZCTEOSA-N 1 0 396.329 2.560 20 0 GFADRO C[C@@H](NC(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1ncc(Br)cn1 ZINC000431822024 563569166 /nfs/dbraw/zinc/56/91/66/563569166.db2.gz MKRNRLFBONLBKE-HZSPNIEDSA-N 1 0 398.349 2.967 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)NCC2([NH+](C)C)CCCC2)c(Br)c1 ZINC000431849683 563569871 /nfs/dbraw/zinc/56/98/71/563569871.db2.gz FLFOZIBUZVHOGY-UHFFFAOYSA-N 1 0 396.329 2.995 20 0 GFADRO COC(=O)[C@@]1(C(F)(F)F)CC[N@H+](C[C@H](O)COc2ccccc2Cl)C1 ZINC000286713632 563571261 /nfs/dbraw/zinc/57/12/61/563571261.db2.gz WVPLPZUFLGVIHT-XHDPSFHLSA-N 1 0 381.778 2.507 20 0 GFADRO CS(=O)(=O)c1cccc(OCC[NH2+][C@@H](CCO)c2ccc(Cl)cc2)c1 ZINC000286715525 563571952 /nfs/dbraw/zinc/57/19/52/563571952.db2.gz FYVAMNIYDJYLOG-SFHVURJKSA-N 1 0 383.897 2.836 20 0 GFADRO CCC[NH+]1CCC(NC(=O)C(=O)Nc2c(C)cc(C)cc2Br)CC1 ZINC000431966415 563572151 /nfs/dbraw/zinc/57/21/51/563572151.db2.gz UYJYBTZQRHAFQP-UHFFFAOYSA-N 1 0 396.329 2.995 20 0 GFADRO C[C@@H]1NC(=O)N(CC[NH+]2CCC(c3ccc(Br)cc3)CC2)C1=O ZINC000332120542 563577672 /nfs/dbraw/zinc/57/76/72/563577672.db2.gz IGWPAYQIPNEQBG-LBPRGKRZSA-N 1 0 380.286 2.569 20 0 GFADRO C[NH+](C)CCNC(=O)Cn1cc(NCc2ccc(F)c(Cl)c2Cl)cn1 ZINC000432257128 563578081 /nfs/dbraw/zinc/57/80/81/563578081.db2.gz VOJXWPXMTXVSOB-UHFFFAOYSA-N 1 0 388.274 2.619 20 0 GFADRO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000332152648 563579940 /nfs/dbraw/zinc/57/99/40/563579940.db2.gz WEPZHEGMAFZSAW-JSGCOSHPSA-N 1 0 384.307 2.666 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N2CCc3cc(Cl)c(Cl)cc3[C@H]2C)C1 ZINC000332146221 563579981 /nfs/dbraw/zinc/57/99/81/563579981.db2.gz KPHCONXRSAOJHP-LOWVWBTDSA-N 1 0 384.307 2.635 20 0 GFADRO CC(=O)c1cc(Br)ccc1OCC(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000286953355 563581934 /nfs/dbraw/zinc/58/19/34/563581934.db2.gz BRYNKURXPVBEJE-FZMZJTMJSA-N 1 0 395.297 2.772 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000332204355 563583341 /nfs/dbraw/zinc/58/33/41/563583341.db2.gz WIRAFHMSZDYAJF-OAHLLOKOSA-N 1 0 394.313 2.783 20 0 GFADRO C[NH+](C)CCN1CCC(NC(=O)NCCc2cccc(Cl)c2Cl)CC1 ZINC000410324263 563586871 /nfs/dbraw/zinc/58/68/71/563586871.db2.gz BXFFEYGEGIPHCT-UHFFFAOYSA-N 1 0 387.355 2.861 20 0 GFADRO C[C@@H]([NH2+]C[C@@H]1CCCSC1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000287123750 563588199 /nfs/dbraw/zinc/58/81/99/563588199.db2.gz RFXSRIRPDCELQD-CVEARBPZSA-N 1 0 384.567 2.501 20 0 GFADRO C[C@@H]([NH2+]CCCn1cc(Br)cn1)c1ccc(-n2cncn2)cc1 ZINC000287141683 563588723 /nfs/dbraw/zinc/58/87/23/563588723.db2.gz AQCBXLTZGFVVGF-CYBMUJFWSA-N 1 0 375.274 2.967 20 0 GFADRO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000410497130 563591748 /nfs/dbraw/zinc/59/17/48/563591748.db2.gz IJVXTNNRNNPICR-AWEZNQCLSA-N 1 0 384.307 2.647 20 0 GFADRO C[N@H+](CCO)C1CCN(C(=O)N[C@H]2COc3c2ccc(Cl)c3Cl)CC1 ZINC000332336844 563593623 /nfs/dbraw/zinc/59/36/23/563593623.db2.gz RJMWGVZXAVFPFF-AWEZNQCLSA-N 1 0 388.295 2.525 20 0 GFADRO C[C@@]1(CN[C@@H]2CCS(=O)(=O)c3ccc(Br)cc32)CCC[NH2+]C1 ZINC000332375823 563595547 /nfs/dbraw/zinc/59/55/47/563595547.db2.gz RNCLAKZRDWKSOZ-GDBMZVCRSA-N 1 0 387.343 2.647 20 0 GFADRO CNC(=O)c1cccc(NC(=O)NCCC[NH+]2CCCCC2)c1Br ZINC000287415944 563600398 /nfs/dbraw/zinc/60/03/98/563600398.db2.gz NOUCOXFLJSEWDI-UHFFFAOYSA-N 1 0 397.317 2.806 20 0 GFADRO C[C@@H]1C[C@@H](C)N(C(=O)c2cc(Br)c3c(c2)OCCO3)C[C@@H]1C[NH3+] ZINC000332523544 563603168 /nfs/dbraw/zinc/60/31/68/563603168.db2.gz NLTYIXQCIRPRNV-WZRBSPASSA-N 1 0 383.286 2.666 20 0 GFADRO CC(C)[C@H](C[NH3+])C(=O)N1CCC(C(=O)Nc2ccccc2Br)CC1 ZINC000433118348 563603328 /nfs/dbraw/zinc/60/33/28/563603328.db2.gz RRJIEONHZXTXEJ-AWEZNQCLSA-N 1 0 396.329 2.857 20 0 GFADRO CC(=O)NCc1ccc(-c2nc(NC(=O)[C@@H](C[NH3+])C(C)C)sc2C)s1 ZINC000433129653 563603944 /nfs/dbraw/zinc/60/39/44/563603944.db2.gz DYYNPWWPHRESJN-ZDUSSCGKSA-N 1 0 380.539 2.986 20 0 GFADRO CC(C)[C@H](C[NH3+])C(=O)N1CCC(C(=O)Nc2cccc(Br)c2)CC1 ZINC000433125526 563604155 /nfs/dbraw/zinc/60/41/55/563604155.db2.gz KVFXYIBLYLYDMZ-INIZCTEOSA-N 1 0 396.329 2.857 20 0 GFADRO Cc1ccc(F)c(NC(=O)C(=O)N2C[C@H]3CCC[N@H+]3C[C@H]2C)c1Br ZINC000332577193 563604806 /nfs/dbraw/zinc/60/48/06/563604806.db2.gz GLPBAXVZRWIMBM-VXGBXAGGSA-N 1 0 398.276 2.530 20 0 GFADRO C[NH2+]C1CCN(C(=O)C(=O)N2CCc3cc(Cl)c(Cl)cc3[C@H]2C)CC1 ZINC000332580188 563605760 /nfs/dbraw/zinc/60/57/60/563605760.db2.gz FRJNIQFRVSRYGY-LLVKDONJSA-N 1 0 384.307 2.650 20 0 GFADRO COCC[N@H+](CCCS(=O)(=O)c1ccc(F)cc1)[C@H]1CCCSC1 ZINC000433190332 563605761 /nfs/dbraw/zinc/60/57/61/563605761.db2.gz VDRBUPGXASJZMA-INIZCTEOSA-N 1 0 375.531 2.834 20 0 GFADRO CSc1nnc(CNC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)s1 ZINC000287558917 563607289 /nfs/dbraw/zinc/60/72/89/563607289.db2.gz DXNKFZMJAQIVFI-TZMCWYRMSA-N 1 0 377.539 2.722 20 0 GFADRO C[C@H]1C[C@@H](NC(=O)c2cnn(-c3ccc(Br)cc3)c2)CC[N@@H+]1C ZINC000332633192 563609004 /nfs/dbraw/zinc/60/90/04/563609004.db2.gz HMYPITXXXOWTRR-WFASDCNBSA-N 1 0 377.286 2.847 20 0 GFADRO COC[C@@H]([NH2+]CCc1ccc(S(N)(=O)=O)cc1)c1cccc(Cl)c1F ZINC000287590715 563609610 /nfs/dbraw/zinc/60/96/10/563609610.db2.gz IBLNJZOAVVOBOX-MRXNPFEDSA-N 1 0 386.876 2.646 20 0 GFADRO CN(C)c1cc(NC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)ncc1Br ZINC000332640425 563609756 /nfs/dbraw/zinc/60/97/56/563609756.db2.gz VUQBQIFHNUXBPN-GFCCVEGCSA-N 1 0 382.306 2.612 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)c2nn(-c3ccc(F)cc3)cc2Br)CC[N@@H+]1C ZINC000332665224 563611100 /nfs/dbraw/zinc/61/11/00/563611100.db2.gz OZOHAJROWARPSA-YPMHNXCESA-N 1 0 395.276 2.986 20 0 GFADRO C[C@@H]1C[N@H+](CCCNC(=O)NCCc2ccc(Br)cc2)CCCO1 ZINC000433391078 563611717 /nfs/dbraw/zinc/61/17/17/563611717.db2.gz UMHRZEHJOYZODR-OAHLLOKOSA-N 1 0 398.345 2.792 20 0 GFADRO O[C@H](C[NH2+][C@H]1CCO[C@H](C(F)(F)F)C1)c1cc(Cl)c2c(c1)OCCO2 ZINC000287640980 563612119 /nfs/dbraw/zinc/61/21/19/563612119.db2.gz KVVAAKFPMLDKHS-SUHUHFCYSA-N 1 0 381.778 2.844 20 0 GFADRO O=C(N[C@H]1CCc2c1ccc(Cl)c2Cl)c1ncn([C@H]2CCC[NH2+]C2)n1 ZINC000433412436 563612499 /nfs/dbraw/zinc/61/24/99/563612499.db2.gz UAKKGXJJKLDPSO-HZMBPMFUSA-N 1 0 380.279 2.927 20 0 GFADRO CSc1cc(NC(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)ccc1Cl ZINC000411312524 563614916 /nfs/dbraw/zinc/61/49/16/563614916.db2.gz UTIRFCVUWOHVBP-SWLSCSKDSA-N 1 0 381.929 2.943 20 0 GFADRO COCCO[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc(Br)cc2)C1 ZINC000411407346 563618030 /nfs/dbraw/zinc/61/80/30/563618030.db2.gz IUBDVERZKAXCEJ-MRXNPFEDSA-N 1 0 385.302 2.905 20 0 GFADRO Cc1cc(NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC3)C2)cc(F)c1Br ZINC000411404683 563618263 /nfs/dbraw/zinc/61/82/63/563618263.db2.gz XQAOUTRZLWDQGK-ZDUSSCGKSA-N 1 0 398.276 2.530 20 0 GFADRO CN(C(=O)Cc1ccccc1I)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000433777069 563619568 /nfs/dbraw/zinc/61/95/68/563619568.db2.gz ZIUOZEYWVRZLLO-CQSZACIVSA-N 1 0 384.261 2.529 20 0 GFADRO O=C(Cc1cc(Br)ccc1F)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000433776358 563619968 /nfs/dbraw/zinc/61/99/68/563619968.db2.gz XUVJFASQUZZVGE-UHFFFAOYSA-N 1 0 375.201 3.350 20 0 GFADRO Cn1cc(NC(=O)N2CCCC[C@H]2[C@H]2CCC[NH2+]C2)cc(Br)c1=O ZINC000333100766 563620705 /nfs/dbraw/zinc/62/07/05/563620705.db2.gz CGGGQIPDDJLJBV-WFASDCNBSA-N 1 0 397.317 2.534 20 0 GFADRO NC(=O)C1([NH2+]CCCOc2c(Br)cccc2Br)CC1 ZINC000411493012 563621160 /nfs/dbraw/zinc/62/11/60/563621160.db2.gz XNEPJDVSQUWJLP-UHFFFAOYSA-N 1 0 392.091 2.588 20 0 GFADRO CS[C@H]1CN(CCC(=O)NCc2ccccc2Cl)C[C@@H]1[NH+]1CCCC1 ZINC000411529672 563622155 /nfs/dbraw/zinc/62/21/55/563622155.db2.gz UVHBAIIPRPDOEO-ROUUACIJSA-N 1 0 381.973 2.858 20 0 GFADRO O=C(Nc1cnn(-c2ccccc2Br)c1)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000333180542 563623347 /nfs/dbraw/zinc/62/33/47/563623347.db2.gz RUMBJQBVYDOQMG-QWHCGFSZSA-N 1 0 390.285 2.708 20 0 GFADRO O=C(Nc1cc(Br)ccc1N1CCOCC1)N[C@H]1CCCC[NH2+]C1 ZINC000333195366 563624035 /nfs/dbraw/zinc/62/40/35/563624035.db2.gz WBKVKAIGTLIHJZ-AWEZNQCLSA-N 1 0 397.317 2.549 20 0 GFADRO CC[NH+](CC)CCSCC(=O)N[C@H](c1c(C)nn(C)c1C)C(F)(F)F ZINC000434032380 563624792 /nfs/dbraw/zinc/62/47/92/563624792.db2.gz RKGRLUUHKUPOFC-OAHLLOKOSA-N 1 0 380.480 2.832 20 0 GFADRO C[C@@H]1C[C@@H](N(C)S(=O)(=O)Cc2cccc(Br)c2)CC[N@@H+]1C ZINC000288045333 563627070 /nfs/dbraw/zinc/62/70/70/563627070.db2.gz IHOGYKDDEFNNMA-DOMZBBRYSA-N 1 0 375.332 2.693 20 0 GFADRO C[NH+](C)C[C@](C)(O)CNC(=O)NCc1cnc(-c2ccc(Cl)cc2)s1 ZINC000288064668 563627495 /nfs/dbraw/zinc/62/74/95/563627495.db2.gz YBFQEKHYFHNRRF-QGZVFWFLSA-N 1 0 382.917 2.575 20 0 GFADRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)Nc3nnc(-c4ccc(Cl)cc4F)s3)C[C@H]12 ZINC000333332419 563628563 /nfs/dbraw/zinc/62/85/63/563628563.db2.gz ONBZBJNDIHURJZ-LJUAHTATSA-N 1 0 381.864 3.199 20 0 GFADRO O=C(CC[N@@H+](CCO)[C@@H]1CCCSC1)Nc1ccc(Br)cc1 ZINC000411674075 563629087 /nfs/dbraw/zinc/62/90/87/563629087.db2.gz YATQLDNAPPOQSX-OAHLLOKOSA-N 1 0 387.343 2.968 20 0 GFADRO C[NH+](C)CCN(Cc1ccsc1)C(=O)C(=O)Nc1nc(C2CC2)cs1 ZINC000411699534 563630436 /nfs/dbraw/zinc/63/04/36/563630436.db2.gz WLMBMLFOVQTQNC-UHFFFAOYSA-N 1 0 378.523 2.611 20 0 GFADRO COCC[C@H]([NH2+]CC(=O)NC[C@@H]1CCCO1)c1ccc(Cl)c(Cl)c1 ZINC000411707603 563631080 /nfs/dbraw/zinc/63/10/80/563631080.db2.gz ZNZULBOTNPSIEU-BBRMVZONSA-N 1 0 375.296 2.956 20 0 GFADRO O=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)C(=O)Nc1cc(Br)ccc1F ZINC000434561285 563632456 /nfs/dbraw/zinc/63/24/56/563632456.db2.gz INNWNLNCVNPEGE-ZDUSSCGKSA-N 1 0 398.276 2.660 20 0 GFADRO C[N@@H+](CCC(=O)Nc1ccc(Br)cc1)CCN1CCOC(C)(C)C1 ZINC000434697472 563635570 /nfs/dbraw/zinc/63/55/70/563635570.db2.gz PBOFAFJZYAQLGV-UHFFFAOYSA-N 1 0 398.345 2.820 20 0 GFADRO O=C(N[C@@H]1COc2cc(F)c(Br)cc21)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000333590259 563636483 /nfs/dbraw/zinc/63/64/83/563636483.db2.gz AZAVXHPELVNWDJ-UYUMYWFVSA-N 1 0 398.276 2.709 20 0 GFADRO COc1ccc(Br)cc1C(=O)CCC(=O)N[C@@H]1CCC[NH2+][C@@H]1C ZINC000434711944 563636513 /nfs/dbraw/zinc/63/65/13/563636513.db2.gz SVVFVOLJYUXHFU-BXUZGUMPSA-N 1 0 383.286 2.677 20 0 GFADRO O=S(=O)(Cc1ccc(Br)cc1)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000434761324 563636945 /nfs/dbraw/zinc/63/69/45/563636945.db2.gz XJKONJUVTJFFRG-MRXNPFEDSA-N 1 0 387.343 2.885 20 0 GFADRO [NH3+][C@@H]1CCO[C@H](C2CCN(S(=O)(=O)c3c(Cl)ccc(F)c3F)CC2)C1 ZINC000333630946 563637139 /nfs/dbraw/zinc/63/71/39/563637139.db2.gz GPVSGYSWDQWFFP-RISCZKNCSA-N 1 0 394.871 2.525 20 0 GFADRO COc1cc(Br)c(S(=O)(=O)N[C@@H]2CCCC[NH2+]C2)cc1Cl ZINC000333640178 563638068 /nfs/dbraw/zinc/63/80/68/563638068.db2.gz IAOHZWOJKQZETH-SECBINFHSA-N 1 0 397.722 2.532 20 0 GFADRO [NH3+][C@H]1CCCO[C@H]1C1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000333638951 563638145 /nfs/dbraw/zinc/63/81/45/563638145.db2.gz HUNLZZUKKRMAJC-HOCLYGCPSA-N 1 0 393.336 2.900 20 0 GFADRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)NCc1cc(F)c(Cl)cc1F ZINC000434864153 563640019 /nfs/dbraw/zinc/64/00/19/563640019.db2.gz GEUXATOGOYKRGC-CYBMUJFWSA-N 1 0 375.847 2.870 20 0 GFADRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)N[C@H](c3cncc(Br)c3)C3CC3)C[C@@H]12 ZINC000333720824 563640554 /nfs/dbraw/zinc/64/05/54/563640554.db2.gz GOMBXGSSVHVBCG-MPESAESLSA-N 1 0 379.302 2.674 20 0 GFADRO O=C(NC[C@@H]1C[NH2+]CCCO1)N1CCC[C@H]1c1ccc(Br)cc1 ZINC000333776308 563641807 /nfs/dbraw/zinc/64/18/07/563641807.db2.gz CZQPCNJCEZZUCJ-HOTGVXAUSA-N 1 0 382.302 2.674 20 0 GFADRO O=C(c1cc(Br)c2c(c1)OCCO2)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000333811377 563642583 /nfs/dbraw/zinc/64/25/83/563642583.db2.gz JJGWKBWAZVUOIL-DOMZBBRYSA-N 1 0 395.297 2.825 20 0 GFADRO O=C(C[NH2+][C@@H](CO)[C@H]1CCCOC1)Nc1c(Cl)cc(Cl)cc1Cl ZINC000411984354 563643265 /nfs/dbraw/zinc/64/32/65/563643265.db2.gz CRZVLSYKTNWDHA-ZANVPECISA-N 1 0 381.687 2.962 20 0 GFADRO OC[C@@H]([NH2+]Cc1ccc(I)cc1Cl)[C@@H]1CCCOC1 ZINC000411981581 563643480 /nfs/dbraw/zinc/64/34/80/563643480.db2.gz BJUOGNIBIQLKGE-BXUZGUMPSA-N 1 0 395.668 2.822 20 0 GFADRO C[C@H]1[C@@H](NC(=O)c2csc(S(C)(=O)=O)c2)CCN1Cc1ccccc1 ZINC000288446783 563643445 /nfs/dbraw/zinc/64/34/45/563643445.db2.gz YUGVKXZDOCOJFG-BBRMVZONSA-N 1 0 378.519 2.544 20 0 GFADRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)Nc1cc(Br)cn(C)c1=O ZINC000435177569 563643859 /nfs/dbraw/zinc/64/38/59/563643859.db2.gz OBKNPQALTPDOSE-CQSZACIVSA-N 1 0 399.333 2.924 20 0 GFADRO O=C(N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)N1CCOc2ccc(Br)cc2C1 ZINC000333869857 563643837 /nfs/dbraw/zinc/64/38/37/563643837.db2.gz BNNROTHCCVGPLO-WOSRLPQWSA-N 1 0 394.313 2.741 20 0 GFADRO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(C(=O)c2c(F)cccc2Br)CC1 ZINC000333849514 563643924 /nfs/dbraw/zinc/64/39/24/563643924.db2.gz PTIWQQMDQYXBEF-GDBMZVCRSA-N 1 0 385.277 2.947 20 0 GFADRO COc1ccc([C@H](C)NC(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1Br ZINC000333926281 563645940 /nfs/dbraw/zinc/64/59/40/563645940.db2.gz VIFHBHZCCPSAOW-NJZAAPMLSA-N 1 0 382.302 2.912 20 0 GFADRO O=C(Nc1ccccc1Br)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000333940664 563646659 /nfs/dbraw/zinc/64/66/59/563646659.db2.gz OGESHHKNEPKXST-UHFFFAOYSA-N 1 0 381.318 2.787 20 0 GFADRO O=C(c1ccc(I)cc1Cl)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000435246072 563646764 /nfs/dbraw/zinc/64/67/64/563646764.db2.gz PJVYILHAFUTYAW-NSHDSACASA-N 1 0 390.652 2.911 20 0 GFADRO COc1cc(C[NH2+][C@@H]2CS(=O)(=O)C[C@@H]2C)ccc1OCc1cccs1 ZINC000288572747 563648156 /nfs/dbraw/zinc/64/81/56/563648156.db2.gz NCOPGZFHCRFCKO-XJKSGUPXSA-N 1 0 381.519 2.858 20 0 GFADRO CCOC(=O)COc1c(Br)cc(C)cc1CN1CC[C@@H](C[NH2+]C)C1 ZINC000435381277 563649103 /nfs/dbraw/zinc/64/91/03/563649103.db2.gz VXUCLNFTRGUUFR-AWEZNQCLSA-N 1 0 399.329 2.741 20 0 GFADRO CC(C)[C@@H]1CN(C(=O)[C@@H](C)NC(=O)c2cccc(Cl)c2Cl)CC[N@@H+]1C ZINC000334073888 563652369 /nfs/dbraw/zinc/65/23/69/563652369.db2.gz AMAQHSKLWUARLV-DOMZBBRYSA-N 1 0 386.323 2.910 20 0 GFADRO COc1ccccc1CCNC(=O)C[NH2+]Cc1ccc(Br)cc1 ZINC000435747844 563657773 /nfs/dbraw/zinc/65/77/73/563657773.db2.gz BOYBUUVDUGJOQG-UHFFFAOYSA-N 1 0 377.282 2.906 20 0 GFADRO O=C([C@@H]1C[N@@H+]2CCN1CCC2)N1CCC[C@@H]1c1ccc(Br)c(F)c1 ZINC000435969709 563661318 /nfs/dbraw/zinc/66/13/18/563661318.db2.gz YUQVSVNWDZNSND-SJORKVTESA-N 1 0 396.304 2.642 20 0 GFADRO COc1cc(Br)c(Cc2noc([C@H]3CC[N@H+](C)C3)n2)cc1OC ZINC000349923796 563666277 /nfs/dbraw/zinc/66/62/77/563666277.db2.gz SISVYBKMIVDCRB-JTQLQIEISA-N 1 0 382.258 2.859 20 0 GFADRO CCO[C@H]1C[C@](CO)([NH2+]Cc2cc3c(c(Br)c2)OCO3)C1(C)C ZINC000436384565 563669660 /nfs/dbraw/zinc/66/96/60/563669660.db2.gz GPXAGLROVIEQCJ-WMLDXEAASA-N 1 0 386.286 2.834 20 0 GFADRO CCS(=O)(=O)NC1CC[NH+](Cc2cccc(OCC(F)(F)F)c2)CC1 ZINC000289488451 563675823 /nfs/dbraw/zinc/67/58/23/563675823.db2.gz RIIVRCPTQQAQDU-UHFFFAOYSA-N 1 0 380.432 2.531 20 0 GFADRO O=C(Nc1cccc(C[N@H+]2CC[C@H](O)C2)c1)c1cc(Br)ccc1O ZINC000436645928 563676315 /nfs/dbraw/zinc/67/63/15/563676315.db2.gz DMZBBFWVNARPJS-HNNXBMFYSA-N 1 0 391.265 2.974 20 0 GFADRO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000289530730 563677141 /nfs/dbraw/zinc/67/71/41/563677141.db2.gz BECNHWUEGXDQOW-NWDGAFQWSA-N 1 0 391.265 2.545 20 0 GFADRO CCC(CC)[N@H+](CC)CC(=O)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 ZINC000289520738 563677433 /nfs/dbraw/zinc/67/74/33/563677433.db2.gz VOSAPQBQXCDEQB-MRXNPFEDSA-N 1 0 386.583 2.774 20 0 GFADRO Cc1n[nH]cc1CCC[NH2+]Cc1cn(-c2ccccc2Br)nn1 ZINC000289679838 563682907 /nfs/dbraw/zinc/68/29/07/563682907.db2.gz AVJHKJMPXTWNOG-UHFFFAOYSA-N 1 0 375.274 2.784 20 0 GFADRO NS(=O)(=O)c1ccc2c(c1)[C@H]([NH2+]C[C@H](O)c1ccc(Cl)cc1)CCC2 ZINC000289757762 563685641 /nfs/dbraw/zinc/68/56/41/563685641.db2.gz MWCCYXMTVUMMRX-MSOLQXFVSA-N 1 0 380.897 2.688 20 0 GFADRO C[C@@H](CC[NH+]1CCN(C)CC1)Nc1nccc2cc(Br)ccc21 ZINC000413229792 563686411 /nfs/dbraw/zinc/68/64/11/563686411.db2.gz LZDMKQVVPNCYQZ-AWEZNQCLSA-N 1 0 377.330 3.435 20 0 GFADRO COc1cc(C[NH2+][C@H](C)c2ccc(Br)nc2)ccc1OCC(N)=O ZINC000289799298 563687351 /nfs/dbraw/zinc/68/73/51/563687351.db2.gz OTQSASJNNUDDDM-LLVKDONJSA-N 1 0 394.269 2.568 20 0 GFADRO COCC[N@@H+]1CC[C@@H](NC(=O)NCc2cc(Cl)cc(Br)c2)C1 ZINC000413291300 563688243 /nfs/dbraw/zinc/68/82/43/563688243.db2.gz BRJCSVGJFOPUQV-CQSZACIVSA-N 1 0 390.709 2.622 20 0 GFADRO C[N@@H+]1C[C@@H](NC(=O)c2ccc(Br)cc2O)[C@@H](c2ccccc2)C1 ZINC000437001768 563688333 /nfs/dbraw/zinc/68/83/33/563688333.db2.gz DSISBBCCHGYVJX-HZPDHXFCSA-N 1 0 375.266 2.982 20 0 GFADRO Cc1cc(C[N@@H+]2CCC[C@@H]2C[C@@]2(C)NC(=O)NC2=O)ccc1Br ZINC000289835634 563688513 /nfs/dbraw/zinc/68/85/13/563688513.db2.gz ULWRUCJHMDOAAN-CXAGYDPISA-N 1 0 380.286 2.710 20 0 GFADRO C[C@@H]([NH2+]C[C@H](O)COc1ccc2c(c1)OCO2)c1ccc(Br)nc1 ZINC000289946987 563692245 /nfs/dbraw/zinc/69/22/45/563692245.db2.gz WKTXLSNBSGBIKK-YPMHNXCESA-N 1 0 395.253 2.663 20 0 GFADRO O=C(Nc1cc(Cl)ccc1Cl)N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000360355263 563692232 /nfs/dbraw/zinc/69/22/32/563692232.db2.gz OHEFFKFZXGAVQP-UHFFFAOYSA-N 1 0 388.295 2.684 20 0 GFADRO CC[C@]1(C(=O)NC2CCN(Cc3ccc(Br)cc3)CC2)CC[NH2+]C1 ZINC000360464814 563692596 /nfs/dbraw/zinc/69/25/96/563692596.db2.gz DGZCPFZVWUDGKF-IBGZPJMESA-N 1 0 394.357 2.919 20 0 GFADRO Cc1cc(Br)oc1C(=O)N[C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@H]1C ZINC000360535501 563693003 /nfs/dbraw/zinc/69/30/03/563693003.db2.gz CUECBFMZSLIZFF-MGPQQGTHSA-N 1 0 385.302 2.970 20 0 GFADRO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCCC(=O)Nc1cc(Br)ccc1C ZINC000290012975 563694325 /nfs/dbraw/zinc/69/43/25/563694325.db2.gz QKZQLXNRWCDCRE-KBPBESRZSA-N 1 0 382.302 2.590 20 0 GFADRO Brc1cc2c(cc1CN1CCC(n3cncn3)CC1)OCCO2 ZINC000360775299 563694365 /nfs/dbraw/zinc/69/43/65/563694365.db2.gz DWNQMZUNMJSYKR-UHFFFAOYSA-N 1 0 379.258 2.649 20 0 GFADRO COC(=O)[C@H]1CN(c2ccc3cc(Br)c(F)cc3n2)CC[N@H+](C)C1 ZINC000413491702 563694849 /nfs/dbraw/zinc/69/48/49/563694849.db2.gz BLPCATBFLHHPDX-GFCCVEGCSA-N 1 0 396.260 2.677 20 0 GFADRO NC(=O)C1(C[NH2+]Cc2cc(C(F)(F)F)ccc2Br)CCOCC1 ZINC000290071399 563697228 /nfs/dbraw/zinc/69/72/28/563697228.db2.gz YHYQKSQJKRZAAR-UHFFFAOYSA-N 1 0 395.219 2.840 20 0 GFADRO CCOc1cc(C[N@H+](C)CCOCCOC)cc(Br)c1OC ZINC000290210634 563701209 /nfs/dbraw/zinc/70/12/09/563701209.db2.gz QMUTVKZKGLKZNS-UHFFFAOYSA-N 1 0 376.291 2.951 20 0 GFADRO CC[C@@]1(C(=O)N(C)CC(=O)Nc2ccc(Br)cc2C)CC[NH2+]C1 ZINC000361700748 563701466 /nfs/dbraw/zinc/70/14/66/563701466.db2.gz LYYRQUBMZQSSNI-QGZVFWFLSA-N 1 0 382.302 2.544 20 0 GFADRO CSc1ccc(C[N@@H+]2CCC[C@H](c3n[nH]cc3NS(C)(=O)=O)C2)cc1 ZINC000361970538 563702037 /nfs/dbraw/zinc/70/20/37/563702037.db2.gz PKADEIYFWZSQPC-AWEZNQCLSA-N 1 0 380.539 2.883 20 0 GFADRO C[C@H]([NH2+][C@H](CO)C1CCCC1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000290268724 563703061 /nfs/dbraw/zinc/70/30/61/563703061.db2.gz VYJLOALOAMUDBF-LKFCYVNXSA-N 1 0 381.325 2.843 20 0 GFADRO Cc1ccc(Br)c(CNC(=O)N[C@@H](C)CC[NH+]2CCN(C)CC2)c1 ZINC000413742491 563704478 /nfs/dbraw/zinc/70/44/78/563704478.db2.gz NSRLAHPHWSAWRA-HNNXBMFYSA-N 1 0 397.361 2.583 20 0 GFADRO Cc1cc(S(=O)(=O)N2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)c(Cl)cc1F ZINC000362162520 563704749 /nfs/dbraw/zinc/70/47/49/563704749.db2.gz PLHMDMLMYUEAIM-UHOFOFEASA-N 1 0 390.908 2.660 20 0 GFADRO CC[C@H](C(=O)N[C@](C)(CC(=O)OC)c1ccc(Br)cc1)[NH+](C)C ZINC000413746281 563705003 /nfs/dbraw/zinc/70/50/03/563705003.db2.gz KAZTXQQBJOOEQI-RHSMWYFYSA-N 1 0 385.302 2.684 20 0 GFADRO C[NH+](C)[C@H]1CCCN(C(=O)C2(c3cccc(Br)c3)CC(=O)C2)CC1 ZINC000290324765 563705761 /nfs/dbraw/zinc/70/57/61/563705761.db2.gz BZHBXBMUMCWGCH-INIZCTEOSA-N 1 0 393.325 2.993 20 0 GFADRO NC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1Cc1nnc(-c2ccc(Br)o2)o1 ZINC000362445642 563706825 /nfs/dbraw/zinc/70/68/25/563706825.db2.gz AVXMPJXPLFGXJK-VWYCJHECSA-N 1 0 395.257 2.711 20 0 GFADRO Cc1ncc(CN2CC[C@H]([NH2+][C@@H]3CCCC[C@@H]3S(C)(=O)=O)[C@H](C)C2)s1 ZINC000362475418 563708003 /nfs/dbraw/zinc/70/80/03/563708003.db2.gz YNPPMSJRRZCMIU-RNJTYBCJSA-N 1 0 385.599 2.607 20 0 GFADRO CC[C@@H](C)[C@H](NC(=O)C[NH2+]C(C)(C)c1ccc(Br)cc1)C(=O)OC ZINC000438674811 563708897 /nfs/dbraw/zinc/70/88/97/563708897.db2.gz YKTAMYKGHARKLH-WBMJQRKESA-N 1 0 399.329 2.978 20 0 GFADRO OCC[N@H+](C[C@H](O)COc1ccccc1C(F)(F)F)[C@@H]1CCCSC1 ZINC000439013085 563715165 /nfs/dbraw/zinc/71/51/65/563715165.db2.gz ZYAUYPMKKPZNAT-KGLIPLIRSA-N 1 0 379.444 2.635 20 0 GFADRO CCOC1CC(C[NH2+][C@@H](C)c2ccc(Br)nc2)(N2CCOCC2)C1 ZINC000290634340 563716171 /nfs/dbraw/zinc/71/61/71/563716171.db2.gz JCRCYNFEMGBSSQ-NXVRBGIVSA-N 1 0 398.345 2.765 20 0 GFADRO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NC1CCN(Cc2cccc(Br)c2)CC1 ZINC000414057316 563717418 /nfs/dbraw/zinc/71/74/18/563717418.db2.gz RJANVBRRBFGBPP-RDTXWAMCSA-N 1 0 394.357 2.727 20 0 GFADRO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]CCN1CCc2sccc2C1 ZINC000414081994 563717964 /nfs/dbraw/zinc/71/79/64/563717964.db2.gz VTLYFWTUXUOURD-ZDUSSCGKSA-N 1 0 396.354 2.709 20 0 GFADRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)/C=C/c3cc(Br)cs3)CC2)C1 ZINC000363279181 563718378 /nfs/dbraw/zinc/71/83/78/563718378.db2.gz WTMHYBYVOMPERD-MBVDDHJVSA-N 1 0 398.370 2.762 20 0 GFADRO CC[NH+]1CCC(N(C)S(=O)(=O)c2ccc(F)c(Br)c2)CC1 ZINC000439243030 563720272 /nfs/dbraw/zinc/72/02/72/563720272.db2.gz CUMABLXCNHVGTM-UHFFFAOYSA-N 1 0 379.295 2.693 20 0 GFADRO O=C(Cc1ccccc1Br)N1CCC[N@@H+](C2CCOCC2)CC1 ZINC000363417017 563722141 /nfs/dbraw/zinc/72/21/41/563722141.db2.gz WNZNNGHEVYHVEX-UHFFFAOYSA-N 1 0 381.314 2.705 20 0 GFADRO CCOc1c(Cl)cc(NC(=O)C(=O)N2CC[N@H+](C)CC[C@H]2C)cc1Cl ZINC000439359931 563723109 /nfs/dbraw/zinc/72/31/09/563723109.db2.gz PKQVVRPJZRIPDJ-LLVKDONJSA-N 1 0 388.295 2.883 20 0 GFADRO C[N@H+](CCCNCc1ccc(S(N)(=O)=O)c(Cl)c1)Cc1ccccc1 ZINC000414269027 563723886 /nfs/dbraw/zinc/72/38/86/563723886.db2.gz UXDUJDFUZKKEBT-UHFFFAOYSA-N 1 0 381.929 2.599 20 0 GFADRO CCOC[C@@H]1CC[N@H+](C[C@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000439435954 563724546 /nfs/dbraw/zinc/72/45/46/563724546.db2.gz FKLUPDZFYJTIHY-DOMZBBRYSA-N 1 0 376.266 2.686 20 0 GFADRO C[C@@H]([NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1)C1CCOCC1 ZINC000439433023 563724685 /nfs/dbraw/zinc/72/46/85/563724685.db2.gz XVOADHQGRCGVKF-IAQYHMDHSA-N 1 0 376.266 2.733 20 0 GFADRO C[C@H](O)C[C@H]1CCC[N@@H+]1C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000439445177 563725728 /nfs/dbraw/zinc/72/57/28/563725728.db2.gz YFKAUJMGBYVNLT-NILFDRSVSA-N 1 0 376.266 2.563 20 0 GFADRO CC[NH+](CC)[C@H]1CCN(C[C@@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000439456512 563726352 /nfs/dbraw/zinc/72/63/52/563726352.db2.gz YIQSNYPJKDIEOU-JKSUJKDBSA-N 1 0 389.309 2.744 20 0 GFADRO Cc1ccc(C(=O)N2CCC[N@@H+]3CCC[C@H]3C2)cc1I ZINC000363640642 563729065 /nfs/dbraw/zinc/72/90/65/563729065.db2.gz BPUZCXNRBGKWHK-AWEZNQCLSA-N 1 0 384.261 2.910 20 0 GFADRO CS(=O)(=O)c1ccc(C[NH2+]CCOc2ncccc2C(F)(F)F)s1 ZINC000414358433 563729273 /nfs/dbraw/zinc/72/92/73/563729273.db2.gz GPYIUUSNIDXNFG-UHFFFAOYSA-N 1 0 380.413 2.734 20 0 GFADRO C[C@@H]1C[C@@H]([NH2+]CCCCn2cc(C(N)=O)nn2)c2cccc(Br)c21 ZINC000414354655 563729317 /nfs/dbraw/zinc/72/93/17/563729317.db2.gz VSIHFYJBIYOTTA-BXUZGUMPSA-N 1 0 392.301 2.758 20 0 GFADRO C[NH+](C)CCN1CCCN(C(=O)Cc2csc(-c3cccs3)n2)CC1 ZINC000363674559 563729958 /nfs/dbraw/zinc/72/99/58/563729958.db2.gz VIUWVDBIXMAEGB-UHFFFAOYSA-N 1 0 378.567 2.510 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)NCc2ccc(S(C)(=O)=O)c(Cl)c2)C1 ZINC000291036195 563730187 /nfs/dbraw/zinc/73/01/87/563730187.db2.gz KOGFKSUQQCDXSY-KRWDZBQOSA-N 1 0 390.908 2.572 20 0 GFADRO CC(C)[N@@H+]1CCC[C@@H](NC(=O)Cc2cc3c(cc2Br)OCCO3)C1 ZINC000439727887 563730668 /nfs/dbraw/zinc/73/06/68/563730668.db2.gz FKXLMTAKSYTTDN-CQSZACIVSA-N 1 0 397.313 2.752 20 0 GFADRO C[NH+](C)C1(CNC(=O)c2ccc(Br)cc2O)Cc2ccccc2C1 ZINC000439833758 563731898 /nfs/dbraw/zinc/73/18/98/563731898.db2.gz GGZPQXZRJSUWLU-UHFFFAOYSA-N 1 0 389.293 2.984 20 0 GFADRO O=S1(=O)CC[C@H]([NH2+]C2CCN(CCCSCc3ccccc3)CC2)C1 ZINC000363749289 563732622 /nfs/dbraw/zinc/73/26/22/563732622.db2.gz SUVANTAQMDSGJW-IBGZPJMESA-N 1 0 382.595 2.551 20 0 GFADRO CN1CCN(S(=O)(=O)c2ccc(Br)c(F)c2)c2c[nH+]ccc21 ZINC000439884339 563732657 /nfs/dbraw/zinc/73/26/57/563732657.db2.gz XLODBNSHZLRGJH-UHFFFAOYSA-N 1 0 386.246 2.628 20 0 GFADRO COCCOCc1ccc(C[NH2+][C@@H](C)Cn2cc(Br)cn2)cc1 ZINC000291147434 563732816 /nfs/dbraw/zinc/73/28/16/563732816.db2.gz IDFNVASXBUXDSQ-AWEZNQCLSA-N 1 0 382.302 2.987 20 0 GFADRO C[C@H](Cn1cc(Br)cn1)[NH2+]C[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000363783257 563733230 /nfs/dbraw/zinc/73/32/30/563733230.db2.gz JUQKDWNQSIPUGS-WBVHZDCISA-N 1 0 392.345 2.931 20 0 GFADRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C[C@H]1Sc2ccc(Cl)cc2NC1=O ZINC000363846719 563734962 /nfs/dbraw/zinc/73/49/62/563734962.db2.gz MYDMGYFQVQNTPF-QSGSBWRWSA-N 1 0 379.913 2.742 20 0 GFADRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NS(=O)(=O)c1ccc(OCC(F)F)cc1 ZINC000440079502 563735388 /nfs/dbraw/zinc/73/53/88/563735388.db2.gz YOCLGQLMEGJSED-UONOGXRCSA-N 1 0 376.469 2.729 20 0 GFADRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NS(=O)(=O)Cc1ccc(Br)cc1 ZINC000440104293 563736098 /nfs/dbraw/zinc/73/60/98/563736098.db2.gz XCTFOKCNRVKVQV-KGLIPLIRSA-N 1 0 389.359 2.989 20 0 GFADRO COC(=O)[C@@H](Cc1ccccc1)[C@H](C)[NH2+]Cc1ccc(S(C)(=O)=O)s1 ZINC000414445608 563738461 /nfs/dbraw/zinc/73/84/61/563738461.db2.gz HQWOFHVZHVFTHS-BBRMVZONSA-N 1 0 381.519 2.662 20 0 GFADRO Cc1cc(S(=O)(=O)N(CC[NH+](C)C)C2CC2)c(F)cc1Br ZINC000414455532 563739794 /nfs/dbraw/zinc/73/97/94/563739794.db2.gz CFQBVGNCJKJCOO-UHFFFAOYSA-N 1 0 379.295 2.611 20 0 GFADRO COCC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1c(Cl)ccc2ccccc21 ZINC000440383581 563740185 /nfs/dbraw/zinc/74/01/85/563740185.db2.gz PNDRVCVVWVGBTK-HNNXBMFYSA-N 1 0 382.913 2.882 20 0 GFADRO O=C(C[C@@H]1Sc2ccc(Cl)cc2NC1=O)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000364060383 563741318 /nfs/dbraw/zinc/74/13/18/563741318.db2.gz CYICKUYTFWUJSF-BBRMVZONSA-N 1 0 379.913 2.840 20 0 GFADRO CC(C)([NH3+])CNS(=O)(=O)c1csc(-c2cccc(Br)c2)n1 ZINC000440437213 563742420 /nfs/dbraw/zinc/74/24/20/563742420.db2.gz AVAQGVAUOCIXDB-UHFFFAOYSA-N 1 0 390.328 2.588 20 0 GFADRO COCC(COC)[NH+]1CCN(C[C@H](C)c2cccc(Br)c2)CC1 ZINC000414469212 563742438 /nfs/dbraw/zinc/74/24/38/563742438.db2.gz FSWWHANKDYUKQH-HNNXBMFYSA-N 1 0 385.346 2.832 20 0 GFADRO CN(C)CC[N@H+](C)CCCN(C)C(=O)NCc1sccc1Br ZINC000291432450 563743110 /nfs/dbraw/zinc/74/31/10/563743110.db2.gz ZJUIEVVFIUEIQP-UHFFFAOYSA-N 1 0 391.379 2.536 20 0 GFADRO O=C(NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1csc(Br)c1 ZINC000440503545 563743282 /nfs/dbraw/zinc/74/32/82/563743282.db2.gz JYZXZJCEGPNMEQ-QGZVFWFLSA-N 1 0 395.322 2.877 20 0 GFADRO Cc1cc(Br)oc1C(=O)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000440517820 563743764 /nfs/dbraw/zinc/74/37/64/563743764.db2.gz QWWOYXQMOTULNV-SFHVURJKSA-N 1 0 393.281 2.717 20 0 GFADRO CCOc1c(Br)cc(C[N@@H+]2CC[C@@H](C(=O)N(C)C)C2)cc1OC ZINC000414494482 563744196 /nfs/dbraw/zinc/74/41/96/563744196.db2.gz DXNFPCLXGOPBOT-CYBMUJFWSA-N 1 0 385.302 2.767 20 0 GFADRO CCOc1c(Br)cc(C[NH2+][C@@H](CO)[C@H]2CCCOC2)cc1OC ZINC000414540602 563745931 /nfs/dbraw/zinc/74/59/31/563745931.db2.gz BXOSADBVOCMKBY-ZFWWWQNUSA-N 1 0 388.302 2.734 20 0 GFADRO C[C@@H](CO)[N@@H+]1CCCN(C(=O)c2cc3cc(Br)ccc3o2)CC1 ZINC000364199755 563745969 /nfs/dbraw/zinc/74/59/69/563745969.db2.gz DODJCBRDZRKNMR-LBPRGKRZSA-N 1 0 381.270 2.724 20 0 GFADRO COc1c(Br)cccc1C[NH2+]CC1(CS(C)(=O)=O)CCC1 ZINC000414554349 563747112 /nfs/dbraw/zinc/74/71/12/563747112.db2.gz KHPMWYCSCZOXDL-UHFFFAOYSA-N 1 0 376.316 2.762 20 0 GFADRO C[NH+]1CCC(CC(=O)N[C@@H]2CCN(c3ccc(Br)cc3)C2)CC1 ZINC000291586279 563748621 /nfs/dbraw/zinc/74/86/21/563748621.db2.gz VKVTYQONUQHEMD-MRXNPFEDSA-N 1 0 380.330 2.876 20 0 GFADRO [NH3+]C[C@@H]1CCCC[C@H]1NS(=O)(=O)c1cc(Cl)ccc1Br ZINC000440732807 563748917 /nfs/dbraw/zinc/74/89/17/563748917.db2.gz IKDRMLWHXQQARE-JOYOIKCWSA-N 1 0 381.723 2.898 20 0 GFADRO [NH3+]C[C@H]1CCCN(S(=O)(=O)c2ccc3cc(Br)ccc3c2)C1 ZINC000440730412 563748930 /nfs/dbraw/zinc/74/89/30/563748930.db2.gz HXFDZNPPVMZJCF-GFCCVEGCSA-N 1 0 383.311 2.962 20 0 GFADRO CCC([NH3+])(CC)CNS(=O)(=O)c1cc(Cl)ccc1OCCCOC ZINC000440735276 563749081 /nfs/dbraw/zinc/74/90/81/563749081.db2.gz NQKIJPZVTWYYQE-UHFFFAOYSA-N 1 0 378.922 2.551 20 0 GFADRO C[C@H](CC(=O)NC[C@](C)(O)C[NH+](C)C)c1ccc(F)c(Br)c1 ZINC000291599337 563749528 /nfs/dbraw/zinc/74/95/28/563749528.db2.gz BTIMMLFDVLYOFH-BZNIZROVSA-N 1 0 375.282 2.511 20 0 GFADRO Cc1cc(NC(=O)N2C[C@@H](C[NH3+])C3(C2)CCOCC3)ccc1Br ZINC000414695854 563750197 /nfs/dbraw/zinc/75/01/97/563750197.db2.gz FTVCUWGVHUCAMW-CYBMUJFWSA-N 1 0 382.302 2.977 20 0 GFADRO Cc1nn(C)c(C[NH2+]CCc2nnc(-c3ccccc3)o2)c1Br ZINC000440823387 563751014 /nfs/dbraw/zinc/75/10/14/563751014.db2.gz FVFGNILUKNNZPB-UHFFFAOYSA-N 1 0 376.258 2.873 20 0 GFADRO O=C(NCC[C@H]1CCC[NH2+]C1)Nc1nnc(SCc2ccccc2)s1 ZINC000414704091 563751051 /nfs/dbraw/zinc/75/10/51/563751051.db2.gz JFQHDXKPFIBUDZ-CYBMUJFWSA-N 1 0 377.539 3.342 20 0 GFADRO CC(C)(C)[NH2+]CCN1CCC(C(=O)Nc2ccc(Br)cn2)CC1 ZINC000414741721 563751555 /nfs/dbraw/zinc/75/15/55/563751555.db2.gz HQCBDQRHCDSJPG-UHFFFAOYSA-N 1 0 383.334 2.883 20 0 GFADRO C[C@@H]1C[C@H](C[NH3+])CN1S(=O)(=O)c1ccc2cc(Br)ccc2c1 ZINC000440841797 563751758 /nfs/dbraw/zinc/75/17/58/563751758.db2.gz DDIFOQDXYDJJHT-VXGBXAGGSA-N 1 0 383.311 2.960 20 0 GFADRO CC(C)(C)[NH2+]CCN1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1 ZINC000414742220 563751824 /nfs/dbraw/zinc/75/18/24/563751824.db2.gz SXDQZILJBLTXFK-UHFFFAOYSA-N 1 0 394.368 2.688 20 0 GFADRO C[C@@]1(CNS(=O)(=O)c2cc(Br)ccc2Cl)CCC[NH2+]C1 ZINC000440854815 563752275 /nfs/dbraw/zinc/75/22/75/563752275.db2.gz DPCFUFJWKXZNRK-CYBMUJFWSA-N 1 0 381.723 2.771 20 0 GFADRO CCOC(=O)COc1c(Br)cc(C)cc1CN1CC[C@H]([NH3+])[C@@H]1C ZINC000414782196 563752880 /nfs/dbraw/zinc/75/28/80/563752880.db2.gz ILMHZHFKIMLWHZ-WFASDCNBSA-N 1 0 385.302 2.621 20 0 GFADRO CCCC[C@@H](C[NH3+])NC(=O)Nc1cc(Br)ccc1N1CCOCC1 ZINC000414926125 563754194 /nfs/dbraw/zinc/75/41/94/563754194.db2.gz JXRXQVLIWWEULP-AWEZNQCLSA-N 1 0 399.333 2.925 20 0 GFADRO CCOc1cc(C[NH2+][C@@H](C)C(=O)NC)cc(Br)c1OC(F)F ZINC000291696902 563754344 /nfs/dbraw/zinc/75/43/44/563754344.db2.gz JSWRPERTSQOHGI-QMMMGPOBSA-N 1 0 381.217 2.673 20 0 GFADRO FC1(F)CC[NH2+]C[C@@H]1NCc1cc(Br)c2c(c1)OCCCO2 ZINC000415006527 563757088 /nfs/dbraw/zinc/75/70/88/563757088.db2.gz TXISSSBXZWODHC-ZDUSSCGKSA-N 1 0 377.229 2.697 20 0 GFADRO CCOc1c(Br)cc(CN[C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1Br ZINC000415046141 563757121 /nfs/dbraw/zinc/75/71/21/563757121.db2.gz WWGHLZPQGNRCRK-IWIIMEHWSA-N 1 0 390.119 2.918 20 0 GFADRO CN(Cc1ncc(-c2ccc(Br)cc2)o1)C1CC[NH+](CCO)CC1 ZINC000441316350 563757231 /nfs/dbraw/zinc/75/72/31/563757231.db2.gz FRMIHMZIADECGJ-UHFFFAOYSA-N 1 0 394.313 2.993 20 0 GFADRO COc1ccc(I)c(NC(=O)N2CC[C@H]([NH3+])[C@@H](C)C2)c1 ZINC000415071855 563757761 /nfs/dbraw/zinc/75/77/61/563757761.db2.gz LBCUZBSLYROQHP-CABZTGNLSA-N 1 0 389.237 2.501 20 0 GFADRO COC(=O)c1sccc1S(=O)(=O)N1CCC[C@@H]1C[NH+]1CCCCCC1 ZINC000364561613 563757779 /nfs/dbraw/zinc/75/77/79/563757779.db2.gz PMTPAKRYGHAOQA-CQSZACIVSA-N 1 0 386.539 2.564 20 0 GFADRO COc1cc(C[NH2+]CCNS(=O)(=O)c2ccc(Cl)cc2F)ccc1C ZINC000441331503 563757774 /nfs/dbraw/zinc/75/77/74/563757774.db2.gz OHNUFMGNOFCTTB-UHFFFAOYSA-N 1 0 386.876 2.864 20 0 GFADRO COc1ccc(I)c(NC(=O)N2C[C@H](C[NH3+])C[C@H]2C)c1 ZINC000415079619 563758517 /nfs/dbraw/zinc/75/85/17/563758517.db2.gz XFCHWSZBRQUQJK-ZJUUUORDSA-N 1 0 389.237 2.501 20 0 GFADRO C[C@@](O)(C[NH2+]C1CCN(S(=O)(=O)c2cccs2)CC1)C1CCCCC1 ZINC000364584015 563758541 /nfs/dbraw/zinc/75/85/41/563758541.db2.gz HQEQCTRUQCHWHH-GOSISDBHSA-N 1 0 386.583 2.822 20 0 GFADRO C[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccc(Cl)cn2)[C@H]1c1cccs1 ZINC000364612483 563759296 /nfs/dbraw/zinc/75/92/96/563759296.db2.gz BKKFLNUYFMIKML-NHYWBVRUSA-N 1 0 378.885 2.544 20 0 GFADRO C[C@@H](Oc1cccc(Br)c1)C(=O)N1CCC[N@H+](CC(C)(C)O)CC1 ZINC000364613096 563759528 /nfs/dbraw/zinc/75/95/28/563759528.db2.gz ONSYNSGFAKMEFQ-CQSZACIVSA-N 1 0 399.329 2.522 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)Nc2cc(F)c(I)c(F)c2)C1 ZINC000415113737 563759676 /nfs/dbraw/zinc/75/96/76/563759676.db2.gz FIRSPQNMMIVJJH-JGVFFNPUSA-N 1 0 395.191 2.770 20 0 GFADRO COc1cc(CN2CCCO[C@@H](C[NH3+])C2)cc(Br)c1OC(F)F ZINC000415103133 563759724 /nfs/dbraw/zinc/75/97/24/563759724.db2.gz CHVXXXMJXXBJDB-NSHDSACASA-N 1 0 395.244 2.609 20 0 GFADRO O=C1N[C@H]2CN(Cc3cc(Cl)ccc3Cl)CC[C@H]2N1C1CC[NH2+]CC1 ZINC000415135255 563760380 /nfs/dbraw/zinc/76/03/80/563760380.db2.gz FUPCVZGXAZESHX-DLBZAZTESA-N 1 0 383.323 2.714 20 0 GFADRO [NH3+]C[C@H]1CCCCN1C(=O)Nc1cc(Br)ccc1-n1cccn1 ZINC000415159639 563761188 /nfs/dbraw/zinc/76/11/88/563761188.db2.gz KBUTUUAEUGCIDE-CYBMUJFWSA-N 1 0 378.274 2.980 20 0 GFADRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)Nc1ccc(F)cc1I ZINC000415249584 563763552 /nfs/dbraw/zinc/76/35/52/563763552.db2.gz KBMKKRDYCNRMFR-IUCAKERBSA-N 1 0 377.201 2.631 20 0 GFADRO CCO[C@H](CC[NH+](C)C)CNS(=O)(=O)c1cc(C(F)(F)F)ccc1C ZINC000441552835 563762243 /nfs/dbraw/zinc/76/22/43/563762243.db2.gz ZSRWVNYSOWVLAA-CQSZACIVSA-N 1 0 382.448 2.649 20 0 GFADRO C[C@@H](C[NH3+])CNC(=O)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000441602090 563762474 /nfs/dbraw/zinc/76/24/74/563762474.db2.gz VFGCATJJBCAIDC-JTQLQIEISA-N 1 0 378.826 2.681 20 0 GFADRO [NH3+]C1CCC(NC(=O)Nc2cc(F)c(F)cc2I)CC1 ZINC000415237017 563762909 /nfs/dbraw/zinc/76/29/09/563762909.db2.gz HILGMFYUQFIGSX-UHFFFAOYSA-N 1 0 395.191 2.961 20 0 GFADRO C[NH2+][C@@H]1CCCN(C(=O)Nc2cc(F)c(F)cc2I)C1 ZINC000415238956 563762915 /nfs/dbraw/zinc/76/29/15/563762915.db2.gz NAFLYQCUFRGEET-MRVPVSSYSA-N 1 0 395.191 2.785 20 0 GFADRO C[C@H](C[NH3+])NC(=O)Nc1ccc(Br)cc1-c1nc(C2CC2)no1 ZINC000415259488 563763988 /nfs/dbraw/zinc/76/39/88/563763988.db2.gz DXMBAEZYRMEBSH-MRVPVSSYSA-N 1 0 380.246 2.845 20 0 GFADRO CC(=O)N[C@@H](CC(=O)N(C)[C@@H]1CCC[NH2+]CC1)c1ccc(Br)cc1 ZINC000364779357 563764065 /nfs/dbraw/zinc/76/40/65/563764065.db2.gz RIOIHINURDMPNP-SJORKVTESA-N 1 0 396.329 2.617 20 0 GFADRO C[N@@H+]1CCC[C@H](CNS(=O)(=O)C[C@H]2CCOC2)[C@H]1c1cccc(Cl)c1 ZINC000364791528 563764127 /nfs/dbraw/zinc/76/41/27/563764127.db2.gz KDYMEHYNXCYMFE-YXJHDRRASA-N 1 0 386.945 2.679 20 0 GFADRO CC(C)Oc1cc(Br)cc(NC(=O)N2CCCO[C@@H](C[NH3+])C2)c1 ZINC000415252567 563764271 /nfs/dbraw/zinc/76/42/71/563764271.db2.gz HEQIHQHZCQPFMI-HNNXBMFYSA-N 1 0 386.290 2.818 20 0 GFADRO Cc1cc(Br)cc(NC(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000441791390 563764403 /nfs/dbraw/zinc/76/44/03/563764403.db2.gz CQUYCCCKNGPXFR-UHFFFAOYSA-N 1 0 383.334 2.905 20 0 GFADRO COc1cc(NC(=O)N2C[C@H](C[NH3+])C3(C2)CCOCC3)ccc1Br ZINC000415263474 563764704 /nfs/dbraw/zinc/76/47/04/563764704.db2.gz JVAALKIQVPTHOQ-LBPRGKRZSA-N 1 0 398.301 2.677 20 0 GFADRO C[C@@H]1CN(C(=O)Nc2ccc(Cl)cc2I)C[C@H]1[NH3+] ZINC000415287537 563765434 /nfs/dbraw/zinc/76/54/34/563765434.db2.gz XVAKNGZTPCXFOV-GMSGAONNSA-N 1 0 379.629 2.756 20 0 GFADRO O=C(Nc1ccc(Cl)cc1Br)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000415295635 563766102 /nfs/dbraw/zinc/76/61/02/563766102.db2.gz QLMFUSVJOXILKU-GFCCVEGCSA-N 1 0 387.709 2.614 20 0 GFADRO [NH3+]CC[C@H](NC(=O)Nc1cnn(-c2ncc(Cl)cc2Cl)c1)C(F)F ZINC000415304308 563766232 /nfs/dbraw/zinc/76/62/32/563766232.db2.gz FVJBRFKMNGFTPO-JTQLQIEISA-N 1 0 379.198 2.678 20 0 GFADRO COC[C@]1(CNC(=O)Nc2ccc(Cl)c(Br)c2)CCC[NH2+]1 ZINC000415293216 563766256 /nfs/dbraw/zinc/76/62/56/563766256.db2.gz IRCVTMQCDJIBRS-CQSZACIVSA-N 1 0 376.682 2.993 20 0 GFADRO Cc1cc(Br)c2ccccc2c1NC(=O)NCCN1CC[NH2+]CC1 ZINC000415292289 563766314 /nfs/dbraw/zinc/76/63/14/563766314.db2.gz JFVMSAGTIOEUGE-UHFFFAOYSA-N 1 0 391.313 2.937 20 0 GFADRO O=C(NC[C@H]1CCC[NH2+]C1)C(=O)Nc1ccc(-c2ccc(Cl)s2)nc1 ZINC000415324432 563766666 /nfs/dbraw/zinc/76/66/66/563766666.db2.gz DTMTWZVAAQMEPI-NSHDSACASA-N 1 0 378.885 2.518 20 0 GFADRO CCOC(=O)c1c(NC(=O)N2C[C@@H](C[NH3+])C[C@@H]2C)sc2c1CCSC2 ZINC000415335291 563767365 /nfs/dbraw/zinc/76/73/65/563767365.db2.gz LDIAAZJYKOOJBN-WDEREUQCSA-N 1 0 383.539 2.915 20 0 GFADRO [NH3+][C@H]1CN(S(=O)(=O)c2c(Cl)ccnc2Cl)C[C@@H]1c1ccc(F)cc1 ZINC000364916179 563768424 /nfs/dbraw/zinc/76/84/24/563768424.db2.gz PCXIUHPZWBSRDF-YPMHNXCESA-N 1 0 390.267 2.643 20 0 GFADRO CN(C(=O)Nc1cnn(-c2ccccc2Br)c1)[C@H](C[NH3+])C1CC1 ZINC000415348555 563768760 /nfs/dbraw/zinc/76/87/60/563768760.db2.gz BHRPMUJKFFXEKN-OAHLLOKOSA-N 1 0 378.274 2.836 20 0 GFADRO CCOC(=O)c1cc(Br)ccc1NC(=O)N1CCC(C[NH3+])CC1 ZINC000415348476 563768777 /nfs/dbraw/zinc/76/87/77/563768777.db2.gz KSFCYKYGQFZTCD-UHFFFAOYSA-N 1 0 384.274 2.828 20 0 GFADRO CCOC(=O)c1cc(Br)ccc1NC(=O)N[C@H]1CC[NH2+][C@@H](C)C1 ZINC000415346614 563768958 /nfs/dbraw/zinc/76/89/58/563768958.db2.gz HPZTZJYSXDIYHK-JQWIXIFHSA-N 1 0 384.274 2.888 20 0 GFADRO C[C@H](CO)[N@@H+]1CCCN(C(=O)c2csc(-c3ccc(Cl)cc3)n2)CC1 ZINC000364936503 563769767 /nfs/dbraw/zinc/76/97/67/563769767.db2.gz OLCXUYASDRIBTN-CYBMUJFWSA-N 1 0 379.913 2.992 20 0 GFADRO C[NH2+]C[C@@H]1CCN(C(=O)Nc2cnn(-c3ccccc3Br)c2)C1 ZINC000415356466 563770132 /nfs/dbraw/zinc/77/01/32/563770132.db2.gz QKIWVWYTOKCEGX-LBPRGKRZSA-N 1 0 378.274 2.708 20 0 GFADRO O=C(Nc1cccc(F)c1I)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000415367420 563771241 /nfs/dbraw/zinc/77/12/41/563771241.db2.gz YEFUQIHQUKIRNY-UWVGGRQHSA-N 1 0 389.212 2.504 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)c(NC(=O)N[C@H]2CC[NH2+]C2)c1C ZINC000415371533 563771343 /nfs/dbraw/zinc/77/13/43/563771343.db2.gz SQXNFXBVJDFZCG-ZDUSSCGKSA-N 1 0 378.274 2.735 20 0 GFADRO [NH3+]C[C@@H]1CCCCN1C(=O)Nc1cccc(F)c1I ZINC000415366846 563771354 /nfs/dbraw/zinc/77/13/54/563771354.db2.gz XARBXIMBMYVQIQ-VIFPVBQESA-N 1 0 377.201 2.775 20 0 GFADRO C[C@@H](C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1)c1cccc(Br)c1 ZINC000292049808 563771553 /nfs/dbraw/zinc/77/15/53/563771553.db2.gz GNKWPANWVSWWIO-LSDHHAIUSA-N 1 0 382.346 2.552 20 0 GFADRO Cc1cc(F)c(NC(=O)N2CC[NH2+]C[C@H]2C)c(I)c1 ZINC000415390960 563772065 /nfs/dbraw/zinc/77/20/65/563772065.db2.gz KXSPKKFPVKMGED-SECBINFHSA-N 1 0 377.201 2.564 20 0 GFADRO O=C(NCC[C@H]1CC[NH2+]C1)C(=O)Nc1cccnc1-c1ccc(Cl)s1 ZINC000415393466 563772343 /nfs/dbraw/zinc/77/23/43/563772343.db2.gz LFNAYYYDOWPGMR-LLVKDONJSA-N 1 0 378.885 2.518 20 0 GFADRO Cc1cc(F)c(NC(=O)N2CCC[C@H]([NH3+])C2)c(I)c1 ZINC000415393588 563772358 /nfs/dbraw/zinc/77/23/58/563772358.db2.gz PITCWDFVEVKJFE-VIFPVBQESA-N 1 0 377.201 2.694 20 0 GFADRO CCCN(C(=O)C(=O)Nc1ccc(Br)cc1Cl)[C@H]1CC[NH2+]C1 ZINC000415409907 563773580 /nfs/dbraw/zinc/77/35/80/563773580.db2.gz UPPYUCXJYDZVQC-NSHDSACASA-N 1 0 388.693 2.642 20 0 GFADRO COC(=O)c1cc(NC(=O)N2CCCC[C@@H]2[C@@H](C)[NH3+])ccc1Br ZINC000415409412 563773641 /nfs/dbraw/zinc/77/36/41/563773641.db2.gz STLIYBBBPVFVSD-QMTHXVAHSA-N 1 0 384.274 2.969 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000415424656 563774177 /nfs/dbraw/zinc/77/41/77/563774177.db2.gz JBMXMEGOYNFLJL-MRXNPFEDSA-N 1 0 396.329 2.974 20 0 GFADRO Cc1cc(NC(=O)C(=O)N[C@H](C[NH3+])C2CCCCC2)ccc1Br ZINC000415422669 563774411 /nfs/dbraw/zinc/77/44/11/563774411.db2.gz DZEOMGJPNUMMBM-OAHLLOKOSA-N 1 0 382.302 2.720 20 0 GFADRO C[C@@H]([NH2+][C@H](CO)c1ccc(Br)cc1)C(=O)NCc1cccs1 ZINC000292116868 563774680 /nfs/dbraw/zinc/77/46/80/563774680.db2.gz HQJUSVIMBMIRQM-IAQYHMDHSA-N 1 0 383.311 2.839 20 0 GFADRO COCCOc1ccc(Br)cc1NC(=O)N1CC[C@H]([C@H](C)[NH3+])C1 ZINC000415429643 563774805 /nfs/dbraw/zinc/77/48/05/563774805.db2.gz RUOBMLHJDJTMEH-RYUDHWBXSA-N 1 0 386.290 2.675 20 0 GFADRO Cc1nc2cc(Cl)c(NC(=O)C(=O)N3CCC[C@@H]([C@H](C)[NH3+])C3)cc2s1 ZINC000415429810 563774852 /nfs/dbraw/zinc/77/48/52/563774852.db2.gz DXJADDDXPWTXIX-GXSJLCMTSA-N 1 0 380.901 2.782 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(Br)cc2Cl)C1 ZINC000415428601 563775068 /nfs/dbraw/zinc/77/50/68/563775068.db2.gz CYKIXIAGGOSIOL-VHSXEESVSA-N 1 0 388.693 2.627 20 0 GFADRO C[C@H]1CN(C(=O)C(=O)Nc2cccc(Cl)c2SCC(F)F)CC[C@H]1[NH3+] ZINC000415450584 563776398 /nfs/dbraw/zinc/77/63/98/563776398.db2.gz JVMLTMJLWKPVPF-GXSJLCMTSA-N 1 0 391.871 2.831 20 0 GFADRO Cc1c(Br)cccc1NC(=O)C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000415461595 563776851 /nfs/dbraw/zinc/77/68/51/563776851.db2.gz DAVNDWJOHSCTBQ-UHFFFAOYSA-N 1 0 394.313 2.687 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)Nc2cc(Cl)cc(C(F)(F)F)c2)C1 ZINC000415452112 563776866 /nfs/dbraw/zinc/77/68/66/563776866.db2.gz XZDCDDRKMYDEHE-NXEZZACHSA-N 1 0 377.794 2.883 20 0 GFADRO O=C(C[NH2+][C@@H]1CCO[C@@H]1C1CC1)Nc1c(F)cc(F)cc1Br ZINC000365198250 563776964 /nfs/dbraw/zinc/77/69/64/563776964.db2.gz FDSLCJZFYSBPKQ-IUODEOHRSA-N 1 0 375.213 2.823 20 0 GFADRO COC(=O)c1cc(Br)c(F)cc1NC(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000415469799 563777709 /nfs/dbraw/zinc/77/77/09/563777709.db2.gz MOFJNTXCAHIBDG-RKDXNWHRSA-N 1 0 388.237 2.637 20 0 GFADRO CN(C(=O)c1cc(F)ccc1Br)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000365221897 563778083 /nfs/dbraw/zinc/77/80/83/563778083.db2.gz IJNHFNLAGQSYLA-HNNXBMFYSA-N 1 0 398.320 2.829 20 0 GFADRO CCC([NH3+])(CC)CNC(=O)C(=O)Nc1cccc2cncc(Br)c21 ZINC000415476589 563778245 /nfs/dbraw/zinc/77/82/45/563778245.db2.gz UFBXKEYNHLWXJY-UHFFFAOYSA-N 1 0 393.285 2.570 20 0 GFADRO CCC([NH3+])(CC)CNC(=O)C(=O)Nc1cccc(Br)c1Cl ZINC000415474256 563778334 /nfs/dbraw/zinc/77/83/34/563778334.db2.gz KBLPWUWOKXWQBM-UHFFFAOYSA-N 1 0 376.682 2.675 20 0 GFADRO COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000365278962 563779651 /nfs/dbraw/zinc/77/96/51/563779651.db2.gz XJPPZWNJYUHTOY-QWRGUYRKSA-N 1 0 386.279 2.684 20 0 GFADRO O=C(Nc1cc(F)ccc1Br)C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000415513135 563780879 /nfs/dbraw/zinc/78/08/79/563780879.db2.gz DLDJXLPLGQLETF-CQSZACIVSA-N 1 0 398.276 2.517 20 0 GFADRO O=C(Nc1ccnn1Cc1cccc(Br)c1)N1CCC[NH2+]CC1 ZINC000415523905 563781897 /nfs/dbraw/zinc/78/18/97/563781897.db2.gz AXLWCLUMLHSEKS-UHFFFAOYSA-N 1 0 378.274 2.521 20 0 GFADRO CN(C(=O)Nc1ccnn1Cc1cccc(Br)c1)[C@@H](C[NH3+])C1CC1 ZINC000415525656 563782033 /nfs/dbraw/zinc/78/20/33/563782033.db2.gz WKNOJSBHFOUAIR-HNNXBMFYSA-N 1 0 392.301 2.895 20 0 GFADRO [NH3+]C[C@@H]1CCN(C(=O)Nc2ccnn2Cc2ccccc2Br)C1 ZINC000415525051 563782103 /nfs/dbraw/zinc/78/21/03/563782103.db2.gz VBFONINOYOJBNG-LBPRGKRZSA-N 1 0 378.274 2.506 20 0 GFADRO Cc1nc2c(s1)[C@@H]([NH2+]CCNS(=O)(=O)c1ccc(F)cc1F)CCC2 ZINC000442872682 563782088 /nfs/dbraw/zinc/78/20/88/563782088.db2.gz IQFTZSJNRUXABX-ZDUSSCGKSA-N 1 0 387.477 2.675 20 0 GFADRO CCc1nc(C)c([C@H](C)[NH2+]CCNS(=O)(=O)c2ccc(F)cc2F)s1 ZINC000442869539 563782455 /nfs/dbraw/zinc/78/24/55/563782455.db2.gz DOUVNACUUMCSMB-JTQLQIEISA-N 1 0 389.493 2.921 20 0 GFADRO CCS(=O)(=O)CCN1CCC[C@H]1c1ccccc1I ZINC000365416642 563782508 /nfs/dbraw/zinc/78/25/08/563782508.db2.gz UYMKLSUSXWFXAI-AWEZNQCLSA-N 1 0 393.290 2.863 20 0 GFADRO CC(C)c1nccn1[C@H]1CCCN(C(=O)c2cc(Br)nn2C)C1 ZINC000365407586 563782530 /nfs/dbraw/zinc/78/25/30/563782530.db2.gz XQPCEFFXGIDYLS-LBPRGKRZSA-N 1 0 380.290 2.980 20 0 GFADRO C[C@@H]1CN(C(=O)Nc2ccnn2Cc2ccc(Br)cc2)[C@@H](C)C[NH2+]1 ZINC000415531737 563783091 /nfs/dbraw/zinc/78/30/91/563783091.db2.gz PWKUYUOELVLKIG-OLZOCXBDSA-N 1 0 392.301 2.908 20 0 GFADRO Cc1cc(Br)c(F)cc1NC(=O)C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000415534080 563783139 /nfs/dbraw/zinc/78/31/39/563783139.db2.gz BXYLBQARHDGPOA-FOSCPWQOSA-N 1 0 398.276 2.577 20 0 GFADRO C[C@H]1CN(C(=O)Nc2ccnn2Cc2ccc(Br)cc2)[C@@H](C)C[NH2+]1 ZINC000415531739 563783350 /nfs/dbraw/zinc/78/33/50/563783350.db2.gz PWKUYUOELVLKIG-STQMWFEESA-N 1 0 392.301 2.908 20 0 GFADRO COc1cc(Br)ccc1CCC[N@@H+]1CC[C@@H](CS(C)(=O)=O)C1 ZINC000292346214 563783355 /nfs/dbraw/zinc/78/33/55/563783355.db2.gz VFCBRXXBAVZRBM-CYBMUJFWSA-N 1 0 390.343 2.757 20 0 GFADRO O=C(C[NH+](C1CCC1)C1CCC1)NCC(=O)Nc1ccccc1Br ZINC000292355829 563783569 /nfs/dbraw/zinc/78/35/69/563783569.db2.gz HTQYZKPVRUKEHB-UHFFFAOYSA-N 1 0 394.313 2.911 20 0 GFADRO C[NH2+]CCC1CCN(C(=O)C(=O)Nc2cc(C)ccc2Br)CC1 ZINC000415549878 563784227 /nfs/dbraw/zinc/78/42/27/563784227.db2.gz LKXDOECFUPPMHX-UHFFFAOYSA-N 1 0 382.302 2.544 20 0 GFADRO CC1(CNC(=O)C(=O)Nc2ccc(Cl)cc2Br)CC[NH2+]CC1 ZINC000415565556 563784285 /nfs/dbraw/zinc/78/42/85/563784285.db2.gz UXGIVLNZQHPPES-UHFFFAOYSA-N 1 0 388.693 2.547 20 0 GFADRO C[C@@H](CC[NH3+])NC(=O)C(=O)Nc1ccc(Br)c(Cl)c1Cl ZINC000415564589 563784327 /nfs/dbraw/zinc/78/43/27/563784327.db2.gz ZKUIVPOFHFMGQC-LURJTMIESA-N 1 0 383.073 2.548 20 0 GFADRO Cc1cc(Br)cc(Cl)c1NC(=O)C(=O)N1C[C@@H](C)[NH2+]C[C@H]1C ZINC000415571196 563785220 /nfs/dbraw/zinc/78/52/20/563785220.db2.gz RFDLMZWJITVSCX-NXEZZACHSA-N 1 0 388.693 2.558 20 0 GFADRO C[C@@]1(CNC(=O)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)CCC[NH2+]C1 ZINC000415575617 563785252 /nfs/dbraw/zinc/78/52/52/563785252.db2.gz FJUKLASXRDLQCJ-OAHLLOKOSA-N 1 0 377.794 2.803 20 0 GFADRO COc1ccc(NC(=O)N[C@@](C)(C[NH3+])C(C)C)c(I)c1 ZINC000415590594 563785560 /nfs/dbraw/zinc/78/55/60/563785560.db2.gz BBGADAFFRKFGRP-AWEZNQCLSA-N 1 0 391.253 2.795 20 0 GFADRO CC(C)c1cc(Br)ccc1NC(=O)C(=O)NCC1=CC[NH2+]CC1 ZINC000415602209 563787080 /nfs/dbraw/zinc/78/70/80/563787080.db2.gz XZYMYGDZIDGHCO-UHFFFAOYSA-N 1 0 380.286 2.547 20 0 GFADRO COC(=O)c1c(C)c(NC(=O)N2CC[C@H]([C@H](C)[NH3+])C2)ccc1Br ZINC000415606671 563787606 /nfs/dbraw/zinc/78/76/06/563787606.db2.gz YYEVUCVCNGNXFS-QWRGUYRKSA-N 1 0 384.274 2.745 20 0 GFADRO Cc1cc(NC(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)cc(C)c1Br ZINC000415607316 563787653 /nfs/dbraw/zinc/78/76/53/563787653.db2.gz QTKNKSNKYWOLFF-HNNXBMFYSA-N 1 0 381.318 2.577 20 0 GFADRO COC(=O)c1c(Br)ccc(NC(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)c1C ZINC000415604230 563787663 /nfs/dbraw/zinc/78/76/63/563787663.db2.gz VHCFDBPZSRTRAH-SMDDNHRTSA-N 1 0 396.285 2.760 20 0 GFADRO COC(=O)c1cc(NC(=O)N2CCCC[C@H]2C[NH3+])cc(Br)c1F ZINC000415613629 563788132 /nfs/dbraw/zinc/78/81/32/563788132.db2.gz NOULRUZZYUBHLD-JTQLQIEISA-N 1 0 388.237 2.720 20 0 GFADRO [NH3+][C@H]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(-c3ccc(Cl)s3)nc2)C1 ZINC000415642695 563790173 /nfs/dbraw/zinc/79/01/73/563790173.db2.gz IEEZTONFKPPITH-WDEREUQCSA-N 1 0 378.885 2.788 20 0 GFADRO CC(C)c1cc(Br)ccc1NC(=O)C(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000415651583 563790223 /nfs/dbraw/zinc/79/02/23/563790223.db2.gz COSLOSAQIABRMN-DGCLKSJQSA-N 1 0 382.302 2.768 20 0 GFADRO CC(C)[C@@](C)(C[NH3+])NC(=O)Nc1ccnn1-c1ccc(Br)cn1 ZINC000415643771 563790224 /nfs/dbraw/zinc/79/02/24/563790224.db2.gz YDJAQZPQIBOOLH-OAHLLOKOSA-N 1 0 381.278 2.525 20 0 GFADRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)Nc1ccc(Br)c2ccccc12 ZINC000415652395 563790239 /nfs/dbraw/zinc/79/02/39/563790239.db2.gz LHCWUESRYKIVME-NHYWBVRUSA-N 1 0 390.281 2.655 20 0 GFADRO CC(C)Oc1cc(Br)cc(NC(=O)C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000415665072 563790447 /nfs/dbraw/zinc/79/04/47/563790447.db2.gz ZTAFCAVZHGLSQS-CHWSQXEVSA-N 1 0 398.301 2.561 20 0 GFADRO [NH3+]CC[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(Cl)cc2Br)C1 ZINC000415682481 563791262 /nfs/dbraw/zinc/79/12/62/563791262.db2.gz VFIOKKWZNGUDIG-JTQLQIEISA-N 1 0 388.693 2.628 20 0 GFADRO COC(=O)c1cc(NC(=O)N[C@H]2CC[NH2+][C@H](C)C2)c(C)cc1Br ZINC000415704806 563792067 /nfs/dbraw/zinc/79/20/67/563792067.db2.gz IEFCVOQIODGTGV-MNOVXSKESA-N 1 0 384.274 2.806 20 0 GFADRO COC(=O)c1cc(NC(=O)N[C@H]2CC[C@@H](C[NH3+])C2)c(C)cc1Br ZINC000415702211 563792098 /nfs/dbraw/zinc/79/20/98/563792098.db2.gz DAFSPNSWCGQMEO-MNOVXSKESA-N 1 0 384.274 2.793 20 0 GFADRO COC(=O)c1cc(NC(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)c(C)cc1Br ZINC000415704822 563792154 /nfs/dbraw/zinc/79/21/54/563792154.db2.gz IGCSXKNJAULWMK-RYUDHWBXSA-N 1 0 396.285 2.617 20 0 GFADRO Cc1cc(I)cc(NC(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)c1 ZINC000415712278 563792648 /nfs/dbraw/zinc/79/26/48/563792648.db2.gz QVLYRBBZDAKXLH-NWDGAFQWSA-N 1 0 385.249 2.673 20 0 GFADRO COC(=O)c1cc(NC(=O)NC2(C)CC[NH2+]CC2)c(C)cc1Br ZINC000415709675 563792705 /nfs/dbraw/zinc/79/27/05/563792705.db2.gz PWEHRBGCDYSXJT-UHFFFAOYSA-N 1 0 384.274 2.808 20 0 GFADRO COC(=O)c1cc(NC(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)c(C)cc1Br ZINC000415708509 563792740 /nfs/dbraw/zinc/79/27/40/563792740.db2.gz NWSBTWYBUYCPNO-VXGBXAGGSA-N 1 0 396.285 2.617 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)C(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000415742471 563793658 /nfs/dbraw/zinc/79/36/58/563793658.db2.gz BMOKYRSKVKSBAV-AWEZNQCLSA-N 1 0 394.313 2.544 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000415732241 563793914 /nfs/dbraw/zinc/79/39/14/563793914.db2.gz XYSQQCFEALCNAW-HDJSIYSDSA-N 1 0 396.329 2.886 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)C(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000415742476 563793946 /nfs/dbraw/zinc/79/39/46/563793946.db2.gz BMOKYRSKVKSBAV-CQSZACIVSA-N 1 0 394.313 2.544 20 0 GFADRO CC(C)Sc1c(Cl)cccc1NC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000415748732 563794026 /nfs/dbraw/zinc/79/40/26/563794026.db2.gz PYVXZNICBFDQGC-OLZOCXBDSA-N 1 0 381.929 2.847 20 0 GFADRO [NH3+][C@H]1CCC[C@H](CNC(=O)C(=O)Nc2ccc(Cl)cc2Br)C1 ZINC000415806704 563797516 /nfs/dbraw/zinc/79/75/16/563797516.db2.gz KKOUNTYAXFETOI-ONGXEEELSA-N 1 0 388.693 2.675 20 0 GFADRO Cc1nc(NC(=O)N(C)C[C@H](O)C[NH3+])sc1Cc1cccc(Cl)c1F ZINC000415807046 563797588 /nfs/dbraw/zinc/79/75/88/563797588.db2.gz KRYBAEMQOUWQMV-LLVKDONJSA-N 1 0 386.880 2.618 20 0 GFADRO O=C(NCCC[C@H]1CCC[NH2+]1)C(=O)Nc1cccc(Br)c1Cl ZINC000415811840 563797751 /nfs/dbraw/zinc/79/77/51/563797751.db2.gz ZJPPZSDCESSZPC-SNVBAGLBSA-N 1 0 388.693 2.689 20 0 GFADRO Cc1c(Br)cccc1NC(=O)C(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000415815675 563798142 /nfs/dbraw/zinc/79/81/42/563798142.db2.gz GFXOZACVUNBGFN-KBPBESRZSA-N 1 0 394.313 2.544 20 0 GFADRO Cc1c(Br)cccc1NC(=O)C(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000415815678 563798486 /nfs/dbraw/zinc/79/84/86/563798486.db2.gz GFXOZACVUNBGFN-KGLIPLIRSA-N 1 0 394.313 2.544 20 0 GFADRO [NH3+]C[C@H](NC(=O)C(=O)Nc1cc(Cl)ccc1Br)C1CCCC1 ZINC000415843507 563799005 /nfs/dbraw/zinc/79/90/05/563799005.db2.gz QAKXXBRIOAMBLT-ZDUSSCGKSA-N 1 0 388.693 2.675 20 0 GFADRO Cc1nc2cc(Cl)c(NC(=O)C(=O)N3CC[C@H](C)[C@@H](C[NH3+])C3)cc2s1 ZINC000415852900 563799541 /nfs/dbraw/zinc/79/95/41/563799541.db2.gz SEUKQZOZEQVIHZ-ONGXEEELSA-N 1 0 380.901 2.640 20 0 GFADRO CC[NH2+]Cc1cccc(NC(=O)NCCn2cc(Br)ccc2=O)c1 ZINC000415933427 563800130 /nfs/dbraw/zinc/80/01/30/563800130.db2.gz OGNMMYGFYMCEEV-UHFFFAOYSA-N 1 0 393.285 2.542 20 0 GFADRO CC[NH2+]Cc1cccc(NC(=O)N(C)CCn2cc(Br)cn2)c1 ZINC000415931784 563800204 /nfs/dbraw/zinc/80/02/04/563800204.db2.gz LUZXORPPNPIRSE-UHFFFAOYSA-N 1 0 380.290 2.919 20 0 GFADRO Cc1nc(CNC(=O)Nc2ccc(OCC[NH3+])cc2)sc1Br ZINC000415945120 563800822 /nfs/dbraw/zinc/80/08/22/563800822.db2.gz KNQJJDBPEDNGFO-UHFFFAOYSA-N 1 0 385.287 2.873 20 0 GFADRO [NH3+]CC[C@H](NC(=O)N1CCN(c2ccc(F)cc2Cl)CC1)C(F)(F)F ZINC000415992142 563801620 /nfs/dbraw/zinc/80/16/20/563801620.db2.gz ATBOIFNDHDXIHV-ZDUSSCGKSA-N 1 0 382.789 2.590 20 0 GFADRO CC(C)(NC(=O)N[C@H](CC[NH3+])C(F)(F)F)c1nc(C(F)(F)F)cs1 ZINC000416006002 563801657 /nfs/dbraw/zinc/80/16/57/563801657.db2.gz KPGARFLUKXGGRD-ZCFIWIBFSA-N 1 0 378.342 2.976 20 0 GFADRO CCN(CC(=O)NC(C)C)C(=O)C[NH2+][C@H](C)c1ccc(Br)s1 ZINC000443344585 563801896 /nfs/dbraw/zinc/80/18/96/563801896.db2.gz IIBAEMOWEGJHQC-LLVKDONJSA-N 1 0 390.347 2.534 20 0 GFADRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)c1nn(C)cc1Br ZINC000293121665 563801991 /nfs/dbraw/zinc/80/19/91/563801991.db2.gz MJAWFZNGLIJTMT-UHFFFAOYSA-N 1 0 379.302 2.907 20 0 GFADRO [NH3+]CC[C@@H](NC(=O)N[C@H]1CCOc2c(Br)cccc21)C(F)(F)F ZINC000416038406 563803677 /nfs/dbraw/zinc/80/36/77/563803677.db2.gz DMMIWJRWALSULO-WDEREUQCSA-N 1 0 396.207 2.852 20 0 GFADRO Cc1ccc(C[NH+](C)C)cc1NC(=O)c1cnn(C)c1I ZINC000293284897 563806684 /nfs/dbraw/zinc/80/66/84/563806684.db2.gz HCOYMXGHHASVLQ-UHFFFAOYSA-N 1 0 398.248 2.647 20 0 GFADRO C[C@H](CNC(=O)C(=O)Nc1cccnc1-c1ccc(Cl)s1)C[NH+](C)C ZINC000293309931 563807125 /nfs/dbraw/zinc/80/71/25/563807125.db2.gz XDFYDCYLOMYFFE-LLVKDONJSA-N 1 0 380.901 2.716 20 0 GFADRO C[NH+](C)C1CCN(CCNc2ccnc3c(Br)ccc(F)c23)CC1 ZINC000443516136 563808044 /nfs/dbraw/zinc/80/80/44/563808044.db2.gz DNRNFTPZPXISQB-UHFFFAOYSA-N 1 0 395.320 2.996 20 0 GFADRO CC[NH+](CC)Cc1ccccc1CNS(=O)(=O)c1cc(Cl)cnc1N ZINC000443684352 563809737 /nfs/dbraw/zinc/80/97/37/563809737.db2.gz AOLPBDQNVADHLL-UHFFFAOYSA-N 1 0 382.917 2.638 20 0 GFADRO O=C(Cc1ccccc1I)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000366476799 563809918 /nfs/dbraw/zinc/80/99/18/563809918.db2.gz BVHFEBPBINMZRD-CQSZACIVSA-N 1 0 384.261 2.530 20 0 GFADRO COc1ccc(Br)cc1C1(C(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)CC1 ZINC000416215974 563810672 /nfs/dbraw/zinc/81/06/72/563810672.db2.gz ABRFIDNHRGRDFB-BETUJISGSA-N 1 0 379.298 2.509 20 0 GFADRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NS(=O)(=O)c1ccc(Br)c(Cl)c1 ZINC000443766277 563811592 /nfs/dbraw/zinc/81/15/92/563811592.db2.gz ULFIXOLATLHSOF-OTYXRUKQSA-N 1 0 393.734 2.864 20 0 GFADRO C[NH+](C)C[C@H]1CCCN1S(=O)(=O)c1ccc(Br)c(Cl)c1 ZINC000443780127 563812599 /nfs/dbraw/zinc/81/25/99/563812599.db2.gz MXGGPLXVLIAMBZ-SNVBAGLBSA-N 1 0 381.723 2.817 20 0 GFADRO O=C(c1c(F)cccc1Br)N1CC[C@@H](OCC[NH+]2CCCC2)C1 ZINC000443801465 563812604 /nfs/dbraw/zinc/81/26/04/563812604.db2.gz MCVCXUOXUKQELO-CYBMUJFWSA-N 1 0 385.277 2.915 20 0 GFADRO C[N@@H+](Cc1cnn(-c2cccc(Cl)c2)c1)C[C@H](O)COCC(F)(F)F ZINC000366611329 563815262 /nfs/dbraw/zinc/81/52/62/563815262.db2.gz MBTJNCCRGNRWSS-HNNXBMFYSA-N 1 0 377.794 2.897 20 0 GFADRO CN1C(=O)C[C@H](C(=O)NCC2([NH+](C)C)CC2)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000416307813 563815565 /nfs/dbraw/zinc/81/55/65/563815565.db2.gz MUZBGZQQOVWPBG-LRDDRELGSA-N 1 0 384.307 2.723 20 0 GFADRO O=C(CCS(=O)(=O)c1ccc(Cl)cc1)NC1CC([NH+]2CCCCC2)C1 ZINC000366698629 563817705 /nfs/dbraw/zinc/81/77/05/563817705.db2.gz JBKWTYVWTWPLMN-UHFFFAOYSA-N 1 0 384.929 2.637 20 0 GFADRO COc1ccc(CC[NH2+][C@H]2CCCC[C@H]2S(C)(=O)=O)c(Cl)c1OC ZINC000293566239 563819004 /nfs/dbraw/zinc/81/90/04/563819004.db2.gz AXWHZXAZYLYRQO-DZGCQCFKSA-N 1 0 375.918 2.845 20 0 GFADRO Cc1cc(Br)cc(S(=O)(=O)NCC2([NH+](C)C)CCCC2)c1 ZINC000444059869 563819434 /nfs/dbraw/zinc/81/94/34/563819434.db2.gz SQRJKBWOEMHHBR-UHFFFAOYSA-N 1 0 375.332 2.910 20 0 GFADRO COc1cc(OC)c(S(=O)(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)cc1Cl ZINC000416382881 563820635 /nfs/dbraw/zinc/82/06/35/563820635.db2.gz FMNPTTGWUJJMBV-LBPRGKRZSA-N 1 0 388.917 2.652 20 0 GFADRO COc1nc(NC[C@H]2CC[N@H+](CCc3ccccc3)C2)ncc1Br ZINC000444088031 563821489 /nfs/dbraw/zinc/82/14/89/563821489.db2.gz UMCLGZDGMYVGNP-OAHLLOKOSA-N 1 0 391.313 3.224 20 0 GFADRO CCC[C@@H](C)C(=O)NCC[NH2+][C@H](C)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000293704809 563821877 /nfs/dbraw/zinc/82/18/77/563821877.db2.gz MIPBHCYIOIRPCB-CHWSQXEVSA-N 1 0 376.469 2.886 20 0 GFADRO COCC1(O)CC[NH+](C[C@@](C)(O)c2ccc(Br)cc2Cl)CC1 ZINC000293728567 563822562 /nfs/dbraw/zinc/82/25/62/563822562.db2.gz GIXFBXHVYHFDPK-OAHLLOKOSA-N 1 0 392.721 2.783 20 0 GFADRO NC(=O)Cc1cc(Br)c(-c2ccc(NC(=O)[C@H]3CC[NH2+]3)cc2)s1 ZINC000444212807 563825071 /nfs/dbraw/zinc/82/50/71/563825071.db2.gz NKRUWLDBPBGUKT-CYBMUJFWSA-N 1 0 394.294 2.506 20 0 GFADRO COc1cc(S(=O)(=O)NC2CC[NH+](CCOC(C)C)CC2)ccc1Cl ZINC000416414292 563825033 /nfs/dbraw/zinc/82/50/33/563825033.db2.gz HRRCZSDFILMHRQ-UHFFFAOYSA-N 1 0 390.933 2.516 20 0 GFADRO C[C@@H](CNC(=O)c1ccc(Br)c(Cl)c1F)N1CC[NH+](C)CC1 ZINC000444261286 563826116 /nfs/dbraw/zinc/82/61/16/563826116.db2.gz FCEPTUCCEPGMQX-JTQLQIEISA-N 1 0 392.700 2.607 20 0 GFADRO C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CCCc1cnn(C)n1 ZINC000293868226 563827083 /nfs/dbraw/zinc/82/70/83/563827083.db2.gz ZMHAVLIBLVDIRS-LBPRGKRZSA-N 1 0 380.290 2.517 20 0 GFADRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)c1c[nH]c2ccc(Br)cc21 ZINC000444390227 563831257 /nfs/dbraw/zinc/83/12/57/563831257.db2.gz TXYLISBNNHXTFK-LBPRGKRZSA-N 1 0 394.313 2.848 20 0 GFADRO C[C@@]([NH3+])(C(=O)NCCCNc1ccccn1)c1ccc(Br)cc1 ZINC000294110826 563831440 /nfs/dbraw/zinc/83/14/40/563831440.db2.gz OKWWKWMMPDXPDE-KRWDZBQOSA-N 1 0 377.286 2.636 20 0 GFADRO Cc1cc(S(=O)(=O)N2CCC(C[NH+](C)C)CC2)c(F)cc1Br ZINC000416458701 563831676 /nfs/dbraw/zinc/83/16/76/563831676.db2.gz ZQUFOTKCEFPCMQ-UHFFFAOYSA-N 1 0 393.322 2.859 20 0 GFADRO CNC(=O)[C@@]1(C)CC[N@H+](C[C@](C)(O)c2ccc(Br)cc2Cl)C1 ZINC000294239490 563835451 /nfs/dbraw/zinc/83/54/51/563835451.db2.gz TZAYTLXURMTMOF-HOTGVXAUSA-N 1 0 389.721 2.768 20 0 GFADRO CN(C(=O)c1ccc(I)cc1F)C1CC[NH+](C)CC1 ZINC000294240697 563835472 /nfs/dbraw/zinc/83/54/72/563835472.db2.gz NMGUWBHHNYNGNM-UHFFFAOYSA-N 1 0 376.213 2.597 20 0 GFADRO O=C(N[C@@H](c1ccc(F)c(Cl)c1)C(F)(F)F)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000444762062 563836271 /nfs/dbraw/zinc/83/62/71/563836271.db2.gz PPJWHWYPEYKXHA-KBPBESRZSA-N 1 0 379.785 2.589 20 0 GFADRO OC[C@@H]1CCC[N@@H+]1C[C@@H]1CCCN1CCOc1ccccc1Br ZINC000367225884 563836982 /nfs/dbraw/zinc/83/69/82/563836982.db2.gz GTDCJLYRNRXITN-HOTGVXAUSA-N 1 0 383.330 2.749 20 0 GFADRO C[N@H+](CCCCNS(=O)(=O)Cc1ccccc1Br)C1CC1 ZINC000416505631 563839912 /nfs/dbraw/zinc/83/99/12/563839912.db2.gz DWSQPFREWYJCHO-UHFFFAOYSA-N 1 0 375.332 2.743 20 0 GFADRO C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1[NH2+]CCCCCS(C)(=O)=O ZINC000367380923 563842814 /nfs/dbraw/zinc/84/28/14/563842814.db2.gz DXGXRYIJJLHILK-HZPDHXFCSA-N 1 0 376.563 2.827 20 0 GFADRO CS(=O)(=O)[C@H]1CCC[C@H]([NH2+]CCCNc2ccc(C(F)(F)F)cn2)C1 ZINC000294480382 563843838 /nfs/dbraw/zinc/84/38/38/563843838.db2.gz ZYBYNOPLHUBBEZ-KBPBESRZSA-N 1 0 379.448 2.848 20 0 GFADRO C[NH+](C)CCN(Cc1ccsc1)S(=O)(=O)Cc1noc2ccccc21 ZINC000416548184 563846540 /nfs/dbraw/zinc/84/65/40/563846540.db2.gz AXHOVFZUYZOBCD-UHFFFAOYSA-N 1 0 379.507 2.783 20 0 GFADRO O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cc[nH]c(=O)c1Br ZINC000445247639 563846601 /nfs/dbraw/zinc/84/66/01/563846601.db2.gz HVTLTKUUBPLBSR-ZDUSSCGKSA-N 1 0 376.254 2.554 20 0 GFADRO C[NH+](C)CCN(Cc1ccsc1)S(=O)(=O)CC1Cc2ccccc2C1 ZINC000416551211 563846982 /nfs/dbraw/zinc/84/69/82/563846982.db2.gz GCOXTIXCOONCPH-UHFFFAOYSA-N 1 0 378.563 2.857 20 0 GFADRO CS(=O)(=O)[C@@H]1CCC[C@@H]([NH2+][C@H]2COc3cc(F)c(Br)cc32)C1 ZINC000294580777 563847364 /nfs/dbraw/zinc/84/73/64/563847364.db2.gz GXBQQTNEIHKJAH-RULNRJAQSA-N 1 0 392.290 2.967 20 0 GFADRO CN(C(=O)NCCCCn1cc(Br)cn1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000367579683 563849536 /nfs/dbraw/zinc/84/95/36/563849536.db2.gz HLHUEGVHCIALBG-XYPWUTKMSA-N 1 0 398.349 2.692 20 0 GFADRO C[C@H](C[NH2+][C@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1)CS(C)(=O)=O ZINC000367613701 563850731 /nfs/dbraw/zinc/85/07/31/563850731.db2.gz DFAYFEVLYRSKCP-CJNGLKHVSA-N 1 0 379.444 2.677 20 0 GFADRO O=S(=O)(N[C@H]1CC12CC[NH2+]CC2)c1c(Cl)cccc1Br ZINC000367831480 563857449 /nfs/dbraw/zinc/85/74/49/563857449.db2.gz IBXJJNISOSZERI-NSHDSACASA-N 1 0 379.707 2.523 20 0 GFADRO Cc1nc2c(s1)[C@@H]([NH2+][C@H]1CCN(S(=O)(=O)c3ccccc3)C1)CCC2 ZINC000367906134 563859110 /nfs/dbraw/zinc/85/91/10/563859110.db2.gz XZVHYTRUAANHJC-YOEHRIQHSA-N 1 0 377.535 2.882 20 0 GFADRO C[C@H](NC(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1)c1ccc(Cl)cc1Cl ZINC000416823379 563861687 /nfs/dbraw/zinc/86/16/87/563861687.db2.gz YGKYQBRAXSDQPT-RYUDHWBXSA-N 1 0 387.311 2.551 20 0 GFADRO C[C@H](NC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccccc1Cl ZINC000416827998 563862048 /nfs/dbraw/zinc/86/20/48/563862048.db2.gz LQEYKNKSLUIGLU-SMDDNHRTSA-N 1 0 378.826 2.536 20 0 GFADRO CC[N@H+](CCO)CCNC(=O)N[C@H](c1ccc(F)c(Cl)c1)C(F)(F)F ZINC000446366738 563863272 /nfs/dbraw/zinc/86/32/72/563863272.db2.gz NDLVIHQURARXMT-CYBMUJFWSA-N 1 0 385.789 2.696 20 0 GFADRO Cc1cc(NC(=O)N2C[C@@H](C)[N@@H+](CCO)C[C@H]2C)cc(C)c1Br ZINC000417054927 563866612 /nfs/dbraw/zinc/86/66/12/563866612.db2.gz HMLPUHLLJBWETB-ZIAGYGMSSA-N 1 0 384.318 2.985 20 0 GFADRO COc1ccc(Br)c(CNC(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c1 ZINC000417135308 563868650 /nfs/dbraw/zinc/86/86/50/563868650.db2.gz GOTDIKWOUJBOOP-PJODQICGSA-N 1 0 382.302 2.727 20 0 GFADRO COC[C@@H]([NH2+]CCCNC(=O)c1ccc(Br)cc1)C1CCOCC1 ZINC000446841670 563869405 /nfs/dbraw/zinc/86/94/05/563869405.db2.gz AHRJFAXWSUGHMO-QGZVFWFLSA-N 1 0 399.329 2.600 20 0 GFADRO Cc1nc(C(=O)N[C@@H]2CC23CC[NH2+]CC3)nn1-c1c(Cl)cccc1Cl ZINC000368384516 563869524 /nfs/dbraw/zinc/86/95/24/563869524.db2.gz JJXDHGGAVCVMQQ-CYBMUJFWSA-N 1 0 380.279 2.754 20 0 GFADRO C[NH+](C)Cc1ccsc1C(=O)N[C@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000446889184 563869736 /nfs/dbraw/zinc/86/97/36/563869736.db2.gz SXFMTUNVTIOQGW-HNNXBMFYSA-N 1 0 377.897 2.998 20 0 GFADRO C[NH+](C)Cc1ccsc1C(=O)NC[C@H](Cc1ccccc1Cl)C(N)=O ZINC000446905748 563869814 /nfs/dbraw/zinc/86/98/14/563869814.db2.gz JDWYSPXPNHELSN-AWEZNQCLSA-N 1 0 379.913 2.537 20 0 GFADRO [NH3+]C[C@@H](NC(=O)NCC1(c2cccc(Br)c2)CCOCC1)C1CC1 ZINC000417173109 563869868 /nfs/dbraw/zinc/86/98/68/563869868.db2.gz GUIJBQWVEUBHLN-MRXNPFEDSA-N 1 0 396.329 2.534 20 0 GFADRO C[C@H](CCc1ccc(Br)cc1)NC(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000417234136 563874549 /nfs/dbraw/zinc/87/45/49/563874549.db2.gz PGZNMJXZSVRLMW-CZUORRHYSA-N 1 0 384.318 2.529 20 0 GFADRO C[N@@H+]1CC[C@H]2CCN(C(=O)c3csc(I)c3)C[C@@H]21 ZINC000368588155 563874679 /nfs/dbraw/zinc/87/46/79/563874679.db2.gz FLVDUWXXNIUKMB-ONGXEEELSA-N 1 0 376.263 2.519 20 0 GFADRO Cc1c(I)cccc1C(=O)N1CC[C@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000368591162 563874714 /nfs/dbraw/zinc/87/47/14/563874714.db2.gz LULNWICLZNCEQJ-IUODEOHRSA-N 1 0 384.261 2.766 20 0 GFADRO C[NH2+]C[C@H]1CCCN(C(=O)N[C@H]2CCOc3ccc(Br)cc32)C1 ZINC000417242134 563875338 /nfs/dbraw/zinc/87/53/38/563875338.db2.gz SZYZWDLWXRVFFG-DOMZBBRYSA-N 1 0 382.302 2.914 20 0 GFADRO O=C(N[C@H]1CC12CC[NH2+]CC2)c1cc(Cl)ccc1I ZINC000368640331 563876481 /nfs/dbraw/zinc/87/64/81/563876481.db2.gz CKZJSLVKHJWDCD-LBPRGKRZSA-N 1 0 390.652 2.817 20 0 GFADRO CCn1nccc1S(=O)(=O)NC[C@@H]1CC[N@H+](C)[C@@H]1c1cccc(Cl)c1 ZINC000368697938 563877186 /nfs/dbraw/zinc/87/71/86/563877186.db2.gz FGXQCOPBSXSVQT-WMLDXEAASA-N 1 0 382.917 2.528 20 0 GFADRO CC(C)(O)C[N@@H+]1CCCN(C(=O)Nc2ccc(Br)cc2F)CC1 ZINC000368718837 563877653 /nfs/dbraw/zinc/87/76/53/563877653.db2.gz KYBSXBOVCRSWNA-UHFFFAOYSA-N 1 0 388.281 2.899 20 0 GFADRO [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NS(=O)(=O)c1cccc(OC(F)(F)F)c1 ZINC000447254807 563878334 /nfs/dbraw/zinc/87/83/34/563878334.db2.gz IAPYIXIBKTVLGC-QOARYFPJSA-N 1 0 378.416 2.770 20 0 GFADRO CCC([NH3+])(CC)CNC(=O)NCc1cc(Br)c(OC)c(OC)c1 ZINC000417373591 563878634 /nfs/dbraw/zinc/87/86/34/563878634.db2.gz JFUVZWBLIKOPFK-UHFFFAOYSA-N 1 0 388.306 2.783 20 0 GFADRO Cc1ccc(NC(=O)CC[N@H+](CCO)Cc2cccc(Br)c2)nc1 ZINC000447327770 563880050 /nfs/dbraw/zinc/88/00/50/563880050.db2.gz YELWSOMHRADSCQ-UHFFFAOYSA-N 1 0 392.297 2.976 20 0 GFADRO COc1ccc(CNC(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)cc1Br ZINC000417433636 563880131 /nfs/dbraw/zinc/88/01/31/563880131.db2.gz VZYLEOZJHPNAAC-OAHLLOKOSA-N 1 0 396.329 2.989 20 0 GFADRO COc1cc(Br)c(CNC(=O)NC2CCC([NH3+])CC2)cc1OC ZINC000417450268 563880742 /nfs/dbraw/zinc/88/07/42/563880742.db2.gz ZPUWOEQXTOBKSM-UHFFFAOYSA-N 1 0 386.290 2.535 20 0 GFADRO COCC[C@@]1([NH2+]CC(=O)Nc2ccc(Br)cc2Cl)CCOC1 ZINC000447398294 563881315 /nfs/dbraw/zinc/88/13/15/563881315.db2.gz SDEPLSLFXBJKCZ-OAHLLOKOSA-N 1 0 391.693 2.826 20 0 GFADRO Cc1cc(NC(=O)C(=O)NCC[N@@H+]2CCCC(C)(C)C2)ccc1Br ZINC000447423202 563881684 /nfs/dbraw/zinc/88/16/84/563881684.db2.gz PXXAFRCVIUCSHW-UHFFFAOYSA-N 1 0 396.329 2.934 20 0 GFADRO COc1ccc(Br)cc1C(=O)CCC(=O)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000447518487 563882915 /nfs/dbraw/zinc/88/29/15/563882915.db2.gz WHRNJDKGHQMBID-YPMHNXCESA-N 1 0 383.286 2.677 20 0 GFADRO CN1CC[NH+](C[C@H]2CCCN(C(=O)c3sccc3Br)C2)CC1 ZINC000368978244 563883553 /nfs/dbraw/zinc/88/35/53/563883553.db2.gz BLONEWWIIQTZGJ-CYBMUJFWSA-N 1 0 386.359 2.610 20 0 GFADRO CC(C)c1n[nH]c(C(=O)NC[C@@H]2CCC[C@H]2[NH+]2CCOCC2)c1Br ZINC000369056764 563885501 /nfs/dbraw/zinc/88/55/01/563885501.db2.gz HVLPWKNCJQKJRO-QWHCGFSZSA-N 1 0 399.333 2.526 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)CN1c2ccsc2CCCC1=O)c1cccs1 ZINC000369082010 563886266 /nfs/dbraw/zinc/88/62/66/563886266.db2.gz VFYAAGKHAPDSAJ-CQSZACIVSA-N 1 0 377.535 2.898 20 0 GFADRO O=C(NCCCCSc1ccccc1Br)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000417679481 563886661 /nfs/dbraw/zinc/88/66/61/563886661.db2.gz DYZRSAHXPXFNJZ-JYAVWHMHSA-N 1 0 384.343 2.838 20 0 GFADRO O=C(NCC1(c2cccc(Br)c2)CC1)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000417660229 563886696 /nfs/dbraw/zinc/88/66/96/563886696.db2.gz MUEMYUSVSFNEQS-ZIAGYGMSSA-N 1 0 378.314 2.732 20 0 GFADRO O=C(NCCCc1ccc(Br)cc1F)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000417680519 563886970 /nfs/dbraw/zinc/88/69/70/563886970.db2.gz NULZCYPESPECAZ-KGLIPLIRSA-N 1 0 384.293 2.772 20 0 GFADRO O=C(NCCCc1ccc(Br)cc1F)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000417680518 563887003 /nfs/dbraw/zinc/88/70/03/563887003.db2.gz NULZCYPESPECAZ-KBPBESRZSA-N 1 0 384.293 2.772 20 0 GFADRO CCC([NH3+])(CC)CNC(=O)NCCOc1ncc(C(F)(F)F)cc1Cl ZINC000417728523 563888140 /nfs/dbraw/zinc/88/81/40/563888140.db2.gz ARVWFYFTHRNRCN-UHFFFAOYSA-N 1 0 382.814 2.949 20 0 GFADRO C[C@@H](CNC(=O)NCC1(C)CC[NH2+]CC1)Oc1cccc(Br)c1 ZINC000417786381 563889139 /nfs/dbraw/zinc/88/91/39/563889139.db2.gz DQDHBFIFEMUYGZ-ZDUSSCGKSA-N 1 0 384.318 2.905 20 0 GFADRO C[NH+](C)[C@@]1(CNS(=O)(=O)c2ccc(C(F)(F)F)c(F)c2)CCSC1 ZINC000447875372 563889588 /nfs/dbraw/zinc/88/95/88/563889588.db2.gz QLXYZCVICVHMAM-CYBMUJFWSA-N 1 0 386.436 2.560 20 0 GFADRO C[C@@H](NC(=O)NC[C@@H]([NH3+])C1CC1)c1nc(-c2ccc(Br)cc2)no1 ZINC000417895554 563890890 /nfs/dbraw/zinc/89/08/90/563890890.db2.gz ORFMGQDKXPKVNG-NOZJJQNGSA-N 1 0 394.273 2.597 20 0 GFADRO [NH3+][C@@H]1CN(C(=O)NCc2ccc(O)c(Br)c2)C[C@H]1c1ccccc1 ZINC000417889866 563891056 /nfs/dbraw/zinc/89/10/56/563891056.db2.gz AUNYXPKXGLRQNJ-GOEBONIOSA-N 1 0 390.281 2.791 20 0 GFADRO CC(C)[C@H]([NH3+])CNC(=O)NC1CCN(Cc2ccc(Br)cc2)CC1 ZINC000417885137 563891115 /nfs/dbraw/zinc/89/11/15/563891115.db2.gz ISFXBLXNPHYYKG-QGZVFWFLSA-N 1 0 397.361 2.696 20 0 GFADRO CC(C)[C@@H]([NH3+])CNC(=O)N[C@@H](C)c1nc(-c2ccc(Br)cc2)no1 ZINC000417889348 563891123 /nfs/dbraw/zinc/89/11/23/563891123.db2.gz JIYBJVWRADZAJT-GWCFXTLKSA-N 1 0 396.289 2.843 20 0 GFADRO C[C@@H](Cc1ccc(F)c(Br)c1)NC(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000417904105 563891576 /nfs/dbraw/zinc/89/15/76/563891576.db2.gz SVYWBEQPMGLLAQ-SJCJKPOMSA-N 1 0 384.293 2.914 20 0 GFADRO Cc1cc(C[NH2+]CCC(=O)N(C)Cc2ccccc2Br)n(C)n1 ZINC000417914808 563891582 /nfs/dbraw/zinc/89/15/82/563891582.db2.gz LGOJJVGCNFBTJX-UHFFFAOYSA-N 1 0 379.302 2.629 20 0 GFADRO C[C@H](CO[C@@H]1CCOC1)[NH2+]Cc1ccc(F)cc1I ZINC000417924453 563892151 /nfs/dbraw/zinc/89/21/51/563892151.db2.gz AKBFHCMDOWENNS-ZWNOBZJWSA-N 1 0 379.213 2.714 20 0 GFADRO CN1CC[C@H](NC(=O)N[C@H](CC[NH3+])C(F)F)[C@H]1c1ccc(Cl)c(F)c1 ZINC000417940027 563892159 /nfs/dbraw/zinc/89/21/59/563892159.db2.gz KWIAOMSBAPBWBB-BFHYXJOUSA-N 1 0 378.826 2.506 20 0 GFADRO Fc1ccc(C[NH2+]CCCOC[C@H]2CCOC2)c(I)c1 ZINC000417952317 563892208 /nfs/dbraw/zinc/89/22/08/563892208.db2.gz ZXFXMNOEXOXKDH-GFCCVEGCSA-N 1 0 393.240 2.963 20 0 GFADRO C[C@H](Cc1cc(Br)ccc1F)NC(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000417940032 563892315 /nfs/dbraw/zinc/89/23/15/563892315.db2.gz KWLXWHMXPJAPCH-DYEKYZERSA-N 1 0 384.293 2.770 20 0 GFADRO [NH3+]C[C@@H]1CCN(C(=O)NCCCOc2ncc(C(F)(F)F)cc2Cl)C1 ZINC000417968732 563892743 /nfs/dbraw/zinc/89/27/43/563892743.db2.gz YFYDUCFTMQEAHU-JTQLQIEISA-N 1 0 380.798 2.513 20 0 GFADRO CC(C)C(=O)NCCC[NH2+]Cc1ccc(F)cc1I ZINC000417960801 563892794 /nfs/dbraw/zinc/89/27/94/563892794.db2.gz XUOPUWJOXPEODX-UHFFFAOYSA-N 1 0 378.229 2.682 20 0 GFADRO [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)NCc1cc(Cl)sc1Cl ZINC000417963555 563893082 /nfs/dbraw/zinc/89/30/82/563893082.db2.gz DPRSRJKQJWSFGD-NSHDSACASA-N 1 0 393.340 2.584 20 0 GFADRO [NH3+][C@@H]1CN(C(=O)NCCSCC(F)(F)F)CC[C@H]1c1ccc(F)cc1 ZINC000417961020 563893100 /nfs/dbraw/zinc/89/31/00/563893100.db2.gz GAFNLSZZMHHHGX-UONOGXRCSA-N 1 0 379.423 2.947 20 0 GFADRO CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000417983864 563893788 /nfs/dbraw/zinc/89/37/88/563893788.db2.gz LYILKFWFMYLNFB-FIRUKDTASA-N 1 0 384.318 2.904 20 0 GFADRO CCO[C@H]1COCC[C@H]1[NH2+]Cc1ccc(F)cc1I ZINC000417992674 563894160 /nfs/dbraw/zinc/89/41/60/563894160.db2.gz OYHQVNZTDUTCBY-KGLIPLIRSA-N 1 0 379.213 2.714 20 0 GFADRO COc1cc(Br)ccc1CCCNC(=O)N[C@H](CC[NH3+])C(F)F ZINC000418006116 563895132 /nfs/dbraw/zinc/89/51/32/563895132.db2.gz PUWRUKOPMJNKNM-GFCCVEGCSA-N 1 0 394.260 2.672 20 0 GFADRO Cc1cc(NC(=O)C(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)ccc1Br ZINC000448326547 563896205 /nfs/dbraw/zinc/89/62/05/563896205.db2.gz AWIYONDKNREFAT-OAHLLOKOSA-N 1 0 396.329 2.933 20 0 GFADRO COC(=O)[C@@](C)(C[NH2+]Cc1c(Br)c(C)nn1C)c1ccc(F)cc1 ZINC000448369644 563896503 /nfs/dbraw/zinc/89/65/03/563896503.db2.gz APRZONUCYKOTPD-KRWDZBQOSA-N 1 0 398.276 2.851 20 0 GFADRO C[NH2+]CCCNC(=O)NCc1cc(Br)ccc1Br ZINC000418050342 563896804 /nfs/dbraw/zinc/89/68/04/563896804.db2.gz VRORSBJWQGSOOI-UHFFFAOYSA-N 1 0 379.096 2.620 20 0 GFADRO O=C1CC[C@@H]([NH2+]Cc2ccc(F)cc2I)[C@H](C2CC2)N1 ZINC000418049476 563896900 /nfs/dbraw/zinc/89/69/00/563896900.db2.gz XTCGFPFFJWJWJO-HIFRSBDPSA-N 1 0 388.224 2.577 20 0 GFADRO [NH3+]C[C@H]1CCCCN1C(=O)N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000418056330 563897058 /nfs/dbraw/zinc/89/70/58/563897058.db2.gz CNOOKIYDPINWSN-TZMCWYRMSA-N 1 0 385.295 2.622 20 0 GFADRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)N[C@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)C1 ZINC000418054701 563897074 /nfs/dbraw/zinc/89/70/74/563897074.db2.gz AAVYQHIFFVBUQV-QKCSRTOESA-N 1 0 385.295 2.525 20 0 GFADRO CC[NH2+][C@H](C)CNC(=O)N[C@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O ZINC000418054780 563897093 /nfs/dbraw/zinc/89/70/93/563897093.db2.gz AMXYOJYKNORCKU-RISCZKNCSA-N 1 0 387.311 2.786 20 0 GFADRO CN(C(=O)N[C@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O)C1CC([NH3+])C1 ZINC000418076947 563897654 /nfs/dbraw/zinc/89/76/54/563897654.db2.gz HJHUSZRIHQHFAA-YIZWMMSDSA-N 1 0 385.295 2.620 20 0 GFADRO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000418088740 563898247 /nfs/dbraw/zinc/89/82/47/563898247.db2.gz AISORQMSXOETKQ-YSVLISHTSA-N 1 0 395.345 2.845 20 0 GFADRO C[NH2+]C[C@H]1CCCN(C(=O)N[C@@H]2CCN(c3cccc(Br)c3)C2)C1 ZINC000418107252 563899036 /nfs/dbraw/zinc/89/90/36/563899036.db2.gz YWJGWESCVBUPPY-GDBMZVCRSA-N 1 0 395.345 2.669 20 0 GFADRO CCCN(C(=O)NCCCCn1cc(Br)cn1)C1CC[NH2+]CC1 ZINC000418098034 563899040 /nfs/dbraw/zinc/89/90/40/563899040.db2.gz AOCTWPBGMNLJAF-UHFFFAOYSA-N 1 0 386.338 2.599 20 0 GFADRO O=C(N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000418122665 563899402 /nfs/dbraw/zinc/89/94/02/563899402.db2.gz XXIFDQARMVLURT-NFFDBFGFSA-N 1 0 382.277 2.695 20 0 GFADRO C[NH+](C)C1(CNC(=O)c2cccnc2-n2cc(Br)cn2)CCCC1 ZINC000448714669 563900138 /nfs/dbraw/zinc/90/01/38/563900138.db2.gz ADRYYMADSSAKIJ-UHFFFAOYSA-N 1 0 392.301 2.634 20 0 GFADRO COc1cc(Br)c(C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1OC ZINC000448727021 563900459 /nfs/dbraw/zinc/90/04/59/563900459.db2.gz VZICYBUQPFBBEN-RYUDHWBXSA-N 1 0 383.286 2.823 20 0 GFADRO C[C@@H]1CCN(C(=O)N[C@@H]2CCOc3c(Br)cccc32)C[C@@H]1C[NH3+] ZINC000418155485 563900450 /nfs/dbraw/zinc/90/04/50/563900450.db2.gz KNEBASUDCADOSS-TYNCELHUSA-N 1 0 382.302 2.899 20 0 GFADRO Cc1cc(Br)cc(C)c1N1CCC[C@@H](NC(=O)N2CC[C@@H]([NH3+])C2)C1 ZINC000418182040 563900776 /nfs/dbraw/zinc/90/07/76/563900776.db2.gz MYTFONDOMDOWHU-HZPDHXFCSA-N 1 0 395.345 2.777 20 0 GFADRO C[C@H](NC(=O)N[C@@H]1C[NH2+]CCC1(F)F)c1ccc(Br)cc1F ZINC000418182755 563900850 /nfs/dbraw/zinc/90/08/50/563900850.db2.gz KGUNRXYIOKPFAH-QPUJVOFHSA-N 1 0 380.208 2.946 20 0 GFADRO CN(C(=O)c1ccc(I)cc1F)[C@H]1C[NH+]2CCC1CC2 ZINC000448956329 563903777 /nfs/dbraw/zinc/90/37/77/563903777.db2.gz QAUIVRYMSSSHNH-AWEZNQCLSA-N 1 0 388.224 2.597 20 0 GFADRO CS(=O)(=O)NC[C@H]1CCC[N@H+](Cc2cnc(-c3ccccc3F)s2)C1 ZINC000448990263 563904805 /nfs/dbraw/zinc/90/48/05/563904805.db2.gz GSIUNFGIGVYZGD-CYBMUJFWSA-N 1 0 383.514 2.710 20 0 GFADRO O=C1NC2(CCCC2)C(=O)N1CCC[NH2+]Cc1cccc(Br)c1F ZINC000449062510 563906364 /nfs/dbraw/zinc/90/63/64/563906364.db2.gz LWGXGEKIFCTTSO-UHFFFAOYSA-N 1 0 398.276 2.933 20 0 GFADRO C[C@H](C[NH2+]C1CCN(CC(F)(F)F)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000449105691 563906871 /nfs/dbraw/zinc/90/68/71/563906871.db2.gz DZZREMDOIPZAPT-CYBMUJFWSA-N 1 0 378.460 2.810 20 0 GFADRO Ic1ccc(C[NH2+]CCCOC[C@H]2CCOC2)cc1 ZINC000449165913 563907262 /nfs/dbraw/zinc/90/72/62/563907262.db2.gz YBYLNJQOQVXCIJ-CQSZACIVSA-N 1 0 375.250 2.824 20 0 GFADRO CC(C)COc1ccccc1C[NH2+]C[C@H](O)CS(=O)(=O)c1cccs1 ZINC000449194459 563907746 /nfs/dbraw/zinc/90/77/46/563907746.db2.gz SMJHXANHUAAZPM-INIZCTEOSA-N 1 0 383.535 2.707 20 0 GFADRO C[C@H](COc1ccc(Cl)c(Cl)c1)[NH2+]C[C@H]1CC[C@@H](C(=O)N(C)C)O1 ZINC000449200743 563907853 /nfs/dbraw/zinc/90/78/53/563907853.db2.gz FHDSGTHYOBHULQ-KFNAQCHYSA-N 1 0 375.296 2.986 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]C[C@]1(C)CCCO1 ZINC000449184913 563907937 /nfs/dbraw/zinc/90/79/37/563907937.db2.gz ARVMTWFBORTMIE-SJCJKPOMSA-N 1 0 385.302 2.621 20 0 GFADRO CS(=O)(=O)CC1(C[NH2+]Cc2ccnc3c(Br)cccc23)CC1 ZINC000449188995 563907958 /nfs/dbraw/zinc/90/79/58/563907958.db2.gz SYZWXJOBYTVRET-UHFFFAOYSA-N 1 0 383.311 2.912 20 0 GFADRO C[C@H](Cc1coc2ccccc12)[NH2+]C[C@H](O)CS(=O)(=O)c1cccs1 ZINC000449189193 563907965 /nfs/dbraw/zinc/90/79/65/563907965.db2.gz LXGLZKSIJDAMFO-HIFRSBDPSA-N 1 0 379.503 2.850 20 0 GFADRO COc1nccc(C[NH2+]CCC(=O)Nc2ccc(Br)cc2C)n1 ZINC000449237786 563908087 /nfs/dbraw/zinc/90/80/87/563908087.db2.gz DDILMAPNAARZIL-UHFFFAOYSA-N 1 0 379.258 2.675 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1CNc1cc(OC)cc[nH+]1 ZINC000449203891 563908176 /nfs/dbraw/zinc/90/81/76/563908176.db2.gz IOFQQSKJZUFWDH-NSHDSACASA-N 1 0 394.269 2.978 20 0 GFADRO C[C@H]([NH2+]Cc1ccc(I)cc1)C(=O)NCc1ccco1 ZINC000449225960 563908287 /nfs/dbraw/zinc/90/82/87/563908287.db2.gz PNISUGRVGBHPCN-NSHDSACASA-N 1 0 384.217 2.679 20 0 GFADRO CS(=O)(=O)N[C@H]1CCCC[C@H]1[NH2+]Cc1cccc(Br)c1F ZINC000449248706 564177902 /nfs/dbraw/zinc/17/79/02/564177902.db2.gz JVLXJAMYDRXDPI-OLZOCXBDSA-N 1 0 379.295 2.538 20 0 GFADRO C[C@@H]([NH2+]CCS(=O)(=O)NC(C)(C)C)c1ccc(Br)c(F)c1 ZINC000537938529 564178208 /nfs/dbraw/zinc/17/82/08/564178208.db2.gz DCXCURAHTSVHKI-SNVBAGLBSA-N 1 0 381.311 2.957 20 0 GFADRO COc1ccc([C@H](C)[NH2+]C[C@H](O)CS(=O)(=O)c2cccs2)cc1Cl ZINC000537951322 564178663 /nfs/dbraw/zinc/17/86/63/564178663.db2.gz IGVAGZZYGGNSRT-AAEUAGOBSA-N 1 0 389.926 2.896 20 0 GFADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+]CCOC(F)(F)F ZINC000449281042 564178773 /nfs/dbraw/zinc/17/87/73/564178773.db2.gz YSOAEYQNDFAKTJ-SECBINFHSA-N 1 0 399.207 2.588 20 0 GFADRO Ic1ccc2c(c1)[C@@H]([NH2+]CCn1cccn1)CCCO2 ZINC000537987494 564179102 /nfs/dbraw/zinc/17/91/02/564179102.db2.gz QCSVSEJZOJIKPB-AWEZNQCLSA-N 1 0 383.233 2.991 20 0 GFADRO COc1ccc(-n2cc(C[NH2+]CCn3cc(Br)cn3)cn2)cc1 ZINC000449321567 564180436 /nfs/dbraw/zinc/18/04/36/564180436.db2.gz MSMZOMXYCYLCQZ-UHFFFAOYSA-N 1 0 376.258 2.630 20 0 GFADRO CN(C)S(=O)(=O)N1CCCC[C@H]1C[NH2+]Cc1cc(Cl)sc1Cl ZINC000449331271 564180570 /nfs/dbraw/zinc/18/05/70/564180570.db2.gz XXFDSPVFXYZEIZ-NSHDSACASA-N 1 0 386.370 2.805 20 0 GFADRO Cn1nccc1[C@H]1[C@H]([NH2+]Cc2cc(F)cc(Br)c2)CCC(=O)N1C ZINC000449317502 564180934 /nfs/dbraw/zinc/18/09/34/564180934.db2.gz RZVASWHVNAWVRP-RHSMWYFYSA-N 1 0 395.276 2.773 20 0 GFADRO COC[C@@](C)(O)CC[NH2+][C@H](C)CCc1ccc(I)cc1 ZINC000449386848 564182951 /nfs/dbraw/zinc/18/29/51/564182951.db2.gz VMKBGCPXOCPOPH-CJNGLKHVSA-N 1 0 391.293 2.989 20 0 GFADRO Cc1nc(-c2ccccc2F)sc1[C@H](C)[NH2+][C@@H]1CCN(S(C)(=O)=O)C1 ZINC000563263444 564183546 /nfs/dbraw/zinc/18/35/46/564183546.db2.gz GIZWOZKOQZACAB-WCQYABFASA-N 1 0 383.514 2.942 20 0 GFADRO C[C@]1(O)CCC[N@H+](C[C@H](O)COc2cc(F)cc(Br)c2)CC1 ZINC000471079592 564184418 /nfs/dbraw/zinc/18/44/18/564184418.db2.gz CHUKIGLEUFFFAA-HOCLYGCPSA-N 1 0 376.266 2.565 20 0 GFADRO O=C1CNC(=O)N1CCC[NH2+][C@@H](c1ccc(Br)cc1)C1CCC1 ZINC000538176111 564184645 /nfs/dbraw/zinc/18/46/45/564184645.db2.gz QHRMYPZQJPDSBK-MRXNPFEDSA-N 1 0 380.286 2.822 20 0 GFADRO O[C@@H]1C[C@H]([C@@H]2CCCOC2)[N@H+](Cc2cc(Br)cc3c2OCC3)C1 ZINC000449433860 564187008 /nfs/dbraw/zinc/18/70/08/564187008.db2.gz ODEOVGVGERIHTA-KBRIMQKVSA-N 1 0 382.298 2.746 20 0 GFADRO Cc1cc(C(=O)NCC2=CC[N@H+](C)CC2)nn1-c1ccc(Br)cc1 ZINC000538344060 564188897 /nfs/dbraw/zinc/18/88/97/564188897.db2.gz XDAPMCFBYOLIAM-UHFFFAOYSA-N 1 0 389.297 2.935 20 0 GFADRO O=C(N1CC[C@H]([NH+]2CCCC2)C1)C1(c2cccc(Br)c2)CC(=O)C1 ZINC000538345156 564188964 /nfs/dbraw/zinc/18/89/64/564188964.db2.gz DWBCWHFAXKWOFN-INIZCTEOSA-N 1 0 391.309 2.747 20 0 GFADRO CC[N@@H+]1CCCN(C(=O)c2cc(F)c(F)cc2I)CC1 ZINC000471274092 564190721 /nfs/dbraw/zinc/19/07/21/564190721.db2.gz UIHZHMBOKNEBIB-UHFFFAOYSA-N 1 0 394.203 2.737 20 0 GFADRO COCC[N@@H+]1CC[C@H](NC(=O)NCCOCc2ccc(Cl)cc2Cl)C1 ZINC000538455457 564191402 /nfs/dbraw/zinc/19/14/02/564191402.db2.gz YJARGBJSTDZJRD-HNNXBMFYSA-N 1 0 390.311 2.530 20 0 GFADRO CC(=O)NC1CCC([NH2+]C[C@H](CO)Cc2ccc(C)c(Br)c2)CC1 ZINC000449602604 564192211 /nfs/dbraw/zinc/19/22/11/564192211.db2.gz UJKQTEJDNMJOEB-WWDZGPRUSA-N 1 0 397.357 2.945 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)Nc1ccnn1-c1ccc(Br)cn1 ZINC000563492121 564193208 /nfs/dbraw/zinc/19/32/08/564193208.db2.gz RQDFDLZJCHEALN-WCQYABFASA-N 1 0 393.289 2.763 20 0 GFADRO COc1cc(Cl)c(C[N@@H+]2CCC[C@H]2C[C@]2(C)NC(=O)NC2=O)cc1Cl ZINC000563481654 564193296 /nfs/dbraw/zinc/19/32/96/564193296.db2.gz FWCNEYQUJTURBU-GTNSWQLSSA-N 1 0 386.279 2.955 20 0 GFADRO O[C@@H]([C@@H]1CC[N@H+](Cc2c(Cl)cccc2N2CCOCC2)C1)C(F)(F)F ZINC000449671897 564193973 /nfs/dbraw/zinc/19/39/73/564193973.db2.gz LAYBJUKDUZMTDP-WBMJQRKESA-N 1 0 378.822 2.922 20 0 GFADRO CCN1C[C@H]([NH2+]C[C@@H](CO)Cc2cc(Br)ccc2OC)[C@@H](C)C1 ZINC000449679275 564195738 /nfs/dbraw/zinc/19/57/38/564195738.db2.gz HTHXSUBIBWVFGN-ZQIUZPCESA-N 1 0 385.346 2.539 20 0 GFADRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)Cc2cccc(Br)c2)C1 ZINC000471549435 564197587 /nfs/dbraw/zinc/19/75/87/564197587.db2.gz VFEXREOIXNLYEF-KRWDZBQOSA-N 1 0 383.330 2.951 20 0 GFADRO CN(C)S(=O)(=O)N1CCCC[C@H]1C[NH2+][C@H]1CCCc2c(Cl)cccc21 ZINC000563567141 564197646 /nfs/dbraw/zinc/19/76/46/564197646.db2.gz ZCBKMRCQIKOUNE-KSSFIOAISA-N 1 0 385.961 2.968 20 0 GFADRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)COc2cccc(Br)c2)C1 ZINC000471562658 564198703 /nfs/dbraw/zinc/19/87/03/564198703.db2.gz JFPAUXSLPSKWNZ-KRWDZBQOSA-N 1 0 399.329 2.787 20 0 GFADRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)[C@H]2CCCN2C(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000449724656 564198814 /nfs/dbraw/zinc/19/88/14/564198814.db2.gz YRDOYNOJSYRNKW-AXAPSJFSSA-N 1 0 384.307 2.842 20 0 GFADRO COCC[C@H](Cc1cccc(Br)c1)C(=O)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000449733984 564199611 /nfs/dbraw/zinc/19/96/11/564199611.db2.gz QUVWKJPWSJIXOK-SOLBZPMBSA-N 1 0 395.341 2.855 20 0 GFADRO CCCOc1c(Br)cc(C[NH2+][C@@H]2CC[C@H](C(N)=O)C2)cc1OC ZINC000449748147 564199883 /nfs/dbraw/zinc/19/98/83/564199883.db2.gz ZWRYMHHRCHTWAU-QWHCGFSZSA-N 1 0 385.302 2.990 20 0 GFADRO O=C(c1ccncc1)N1CCC([NH2+]Cc2ccc(Br)cn2)CC1 ZINC000506320924 564200684 /nfs/dbraw/zinc/20/06/84/564200684.db2.gz NDNPTJMXTWOCLK-UHFFFAOYSA-N 1 0 375.270 2.634 20 0 GFADRO CS(=O)(=O)N1CCC(C[NH2+][C@@H](Cc2ccncc2)c2cccs2)CC1 ZINC000563701457 564203489 /nfs/dbraw/zinc/20/34/89/564203489.db2.gz SDMHVQHTYJUBAL-KRWDZBQOSA-N 1 0 379.551 2.688 20 0 GFADRO C[C@H](CNC(=O)c1c(Cl)cc(F)cc1Br)N1CC[NH+](C)CC1 ZINC000449888347 564207481 /nfs/dbraw/zinc/20/74/81/564207481.db2.gz MTKBJEBFMAVJGM-SNVBAGLBSA-N 1 0 392.700 2.607 20 0 GFADRO COc1ccc(Cl)cc1[C@@H](CC(C)C)[NH2+]C[C@H]1CS(=O)(=O)CCO1 ZINC000539056353 564208330 /nfs/dbraw/zinc/20/83/30/564208330.db2.gz HPUCGXORODORJY-GOEBONIOSA-N 1 0 375.918 2.839 20 0 GFADRO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@@H]1CC(=O)N([C@H]2C[C@@H]2C)C1 ZINC000539086973 564208688 /nfs/dbraw/zinc/20/86/88/564208688.db2.gz GHLZHNRNZVOOGV-OJDYBEQGSA-N 1 0 394.313 2.765 20 0 GFADRO CN1CCOC[C@H]1C(=O)N(CCC[NH+](C)C)Cc1ccc(Cl)c(Cl)c1 ZINC000506743403 564211125 /nfs/dbraw/zinc/21/11/25/564211125.db2.gz LWULJGDTIVFBHD-KRWDZBQOSA-N 1 0 388.339 2.604 20 0 GFADRO CC(C)C(=O)N1CCC([NH2+]C[C@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000563892548 564211817 /nfs/dbraw/zinc/21/18/17/564211817.db2.gz UJFXGILGFOVYDJ-HNNXBMFYSA-N 1 0 389.323 2.970 20 0 GFADRO O=C([C@@H]1Cc2cc(Br)ccc2O1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000472102224 564212630 /nfs/dbraw/zinc/21/26/30/564212630.db2.gz PGSDWNCCLOZSJQ-RDJZCZTQSA-N 1 0 379.298 2.839 20 0 GFADRO CCC[N@H+](CC)CCNC(=O)[C@@H]1CSCN1C(=O)c1ccc(Cl)cc1 ZINC000472206073 564216633 /nfs/dbraw/zinc/21/66/33/564216633.db2.gz OMJYQRFYFNVPIV-INIZCTEOSA-N 1 0 383.945 2.703 20 0 GFADRO CC(C)CN(CC[NH+](C)C)C(=O)NCCCCn1cc(Br)cn1 ZINC000472292645 564218782 /nfs/dbraw/zinc/21/87/82/564218782.db2.gz BSBJVGPNXPLJTO-UHFFFAOYSA-N 1 0 388.354 2.655 20 0 GFADRO CCOc1cc(Br)c(CC(=O)N(C)C2CC([NH3+])C2)cc1OCC ZINC000564083031 564219433 /nfs/dbraw/zinc/21/94/33/564219433.db2.gz GILDQTSJYLNERM-UHFFFAOYSA-N 1 0 385.302 2.737 20 0 GFADRO O=S(=O)(NCCC[C@@H]1CCC[NH2+]1)c1cc(Cl)ccc1Br ZINC000564083313 564219470 /nfs/dbraw/zinc/21/94/70/564219470.db2.gz FLAQSHDGPHRFNC-NSHDSACASA-N 1 0 381.723 2.913 20 0 GFADRO Cc1cc(S(=O)(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c(C)cc1Br ZINC000472323141 564220634 /nfs/dbraw/zinc/22/06/34/564220634.db2.gz SYRQLWMGMKTGNE-CHWSQXEVSA-N 1 0 387.343 2.969 20 0 GFADRO Cc1cccc2ncc(C[NH2+]CCNC(=O)c3ccc(Br)cc3)n21 ZINC000539472913 564221033 /nfs/dbraw/zinc/22/10/33/564221033.db2.gz NZTGKHFWXZNQDA-UHFFFAOYSA-N 1 0 387.281 2.925 20 0 GFADRO CS[C@H]1CN(CC(=O)Nc2nc(-c3ccccc3)cs2)C[C@H]1[NH+](C)C ZINC000539472437 564221274 /nfs/dbraw/zinc/22/12/74/564221274.db2.gz MCTBHBKKSDALBN-CVEARBPZSA-N 1 0 376.551 2.726 20 0 GFADRO CN(C)S(=O)(=O)N1CCCC[C@H]1C[NH2+]C1CC(c2cccc(Cl)c2)C1 ZINC000564147282 564221959 /nfs/dbraw/zinc/22/19/59/564221959.db2.gz GHVOFXMDKSMMHO-VJFUWPCTSA-N 1 0 385.961 2.837 20 0 GFADRO C[N@H+](CC1CC1)C[C@H]1CCN(C[C@@H](O)COc2ccc(Br)cc2)C1 ZINC000472451087 564223702 /nfs/dbraw/zinc/22/37/02/564223702.db2.gz VOKRORJGMMNLFU-SJLPKXTDSA-N 1 0 397.357 2.853 20 0 GFADRO CS(=O)(=O)N1CCCC[C@@H]1C[NH2+][C@@H]1CCc2c1cccc2Br ZINC000507250457 564224154 /nfs/dbraw/zinc/22/41/54/564224154.db2.gz AJEHYGYNPHAZOT-MLGOLLRUSA-N 1 0 387.343 2.840 20 0 GFADRO C[N@@H+]1CCCC12CCN(C(=O)[C@H]1Cc3cc(Br)ccc3O1)CC2 ZINC000472488693 564224514 /nfs/dbraw/zinc/22/45/14/564224514.db2.gz SDYVWIKKUHKJIQ-MRXNPFEDSA-N 1 0 379.298 2.839 20 0 GFADRO C[C@@H](CNc1ncc(Br)cc1C(F)(F)F)N1CC[NH+](C)CC1 ZINC000450300483 564225783 /nfs/dbraw/zinc/22/57/83/564225783.db2.gz DAGRKKWDUASRBD-JTQLQIEISA-N 1 0 381.240 2.911 20 0 GFADRO C[N@@H+]1CCN(C(=O)Cc2csc(NC(=O)c3cccs3)n2)CC1(C)C ZINC000564286051 564227540 /nfs/dbraw/zinc/22/75/40/564227540.db2.gz DCJQLENKQWOPEG-UHFFFAOYSA-N 1 0 378.523 2.552 20 0 GFADRO CCN1CCN(C(=O)C(=O)Nc2nc(-c3ccc(C)s3)cs2)[C@@H](C)C1 ZINC000507448574 564228643 /nfs/dbraw/zinc/22/86/43/564228643.db2.gz KNBWGCYRHHFDRR-NSHDSACASA-N 1 0 378.523 2.671 20 0 GFADRO Cn1ccnc1[C@@H](NC(=O)C(=O)Nc1c(F)cccc1Br)C1CC1 ZINC000507483503 564229879 /nfs/dbraw/zinc/22/98/79/564229879.db2.gz RUHYBHWTEJHXGW-LBPRGKRZSA-N 1 0 395.232 2.528 20 0 GFADRO CC[NH+](CC)CCO[C@H]1CCN(c2ccc(I)cn2)C1 ZINC000450363424 564229895 /nfs/dbraw/zinc/22/98/95/564229895.db2.gz JBWAOLDDMZRTDD-AWEZNQCLSA-N 1 0 389.281 2.623 20 0 GFADRO C[C@@H](CC[NH+]1CCN(C)CC1)Nc1ncnc2cc(Br)ccc21 ZINC000450459246 564233800 /nfs/dbraw/zinc/23/38/00/564233800.db2.gz KFGOULNFQIUKSE-ZDUSSCGKSA-N 1 0 378.318 2.830 20 0 GFADRO CCCC[N@H+](C)C[C@@H](C)NS(=O)(=O)c1ccc(F)cc1Br ZINC000564497847 564235907 /nfs/dbraw/zinc/23/59/07/564235907.db2.gz PPFFJACFACSOPX-LLVKDONJSA-N 1 0 381.311 2.987 20 0 GFADRO Cc1cc(F)c(NC(=O)NC[C@@H]2CCC[N@H+]2C)c(I)c1 ZINC000540006559 564236194 /nfs/dbraw/zinc/23/61/94/564236194.db2.gz LMULHBBHUDWXIR-JTQLQIEISA-N 1 0 391.228 2.954 20 0 GFADRO COCCOC[C@H](O)C[NH2+]CC1(c2ccc(Cl)cc2Cl)CCOCC1 ZINC000564534127 564237461 /nfs/dbraw/zinc/23/74/61/564237461.db2.gz DWDDCSOGSQCPML-OAHLLOKOSA-N 1 0 392.323 2.655 20 0 GFADRO C[C@H](C[NH+]1CCOCC1)C(=O)NCCc1c[nH]c2cccc(Br)c12 ZINC000564542571 564238554 /nfs/dbraw/zinc/23/85/54/564238554.db2.gz HGXZVGMLXPFOBO-CYBMUJFWSA-N 1 0 394.313 2.557 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)c2ccc(-n3cc(Br)cn3)cc2)C1 ZINC000564568687 564239772 /nfs/dbraw/zinc/23/97/72/564239772.db2.gz VOHAACLNRXEVGA-TZMCWYRMSA-N 1 0 377.286 2.834 20 0 GFADRO CS[C@H]1CN(C(=O)c2ccsc2NC(=O)c2ccco2)C[C@@H]1[NH+](C)C ZINC000540126448 564240058 /nfs/dbraw/zinc/24/00/58/564240058.db2.gz WRRIWFYXQRFHRJ-JSGCOSHPSA-N 1 0 379.507 2.711 20 0 GFADRO COc1ccc(CC[NH2+][C@@H]2CCSc3ccccc32)cc1S(N)(=O)=O ZINC000540146874 564241098 /nfs/dbraw/zinc/24/10/98/564241098.db2.gz MRBFJFSNLCDGRC-OAHLLOKOSA-N 1 0 378.519 2.712 20 0 GFADRO CC[NH+](CC)CC(=O)N1CCN([C@H](C)c2ccccc2Br)CC1 ZINC000507742306 564242149 /nfs/dbraw/zinc/24/21/49/564242149.db2.gz UWKSVUYLXWNIFA-OAHLLOKOSA-N 1 0 382.346 2.996 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)c(C)c1C(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000564728089 564245899 /nfs/dbraw/zinc/24/58/99/564245899.db2.gz BCEFBYSLESZDQQ-BZNIZROVSA-N 1 0 391.313 2.979 20 0 GFADRO CC[NH+](CC)CCN(C(=O)c1cnnn1C)c1cccc(Br)c1 ZINC000507899001 564247139 /nfs/dbraw/zinc/24/71/39/564247139.db2.gz PVNUGRHUACUJTL-UHFFFAOYSA-N 1 0 380.290 2.566 20 0 GFADRO CS(=O)(=O)[C@@H]1CCCC[C@H]1[NH2+]C[C@H](CO)Cc1c(F)cccc1Cl ZINC000540416305 564247949 /nfs/dbraw/zinc/24/79/49/564247949.db2.gz ABBROEBCRYMJDQ-CSMYWGQOSA-N 1 0 377.909 2.576 20 0 GFADRO [NH3+]C[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000564825250 564250728 /nfs/dbraw/zinc/25/07/28/564250728.db2.gz NYPMNECUQLSLMT-BLLLJJGKSA-N 1 0 384.307 2.854 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)c1c(F)cccc1I ZINC000564835987 564251639 /nfs/dbraw/zinc/25/16/39/564251639.db2.gz VIVHECQZTLGCHY-JOYOIKCWSA-N 1 0 376.213 2.772 20 0 GFADRO [NH3+]CC[C@H](NC(=O)Nc1ccc(I)cc1F)C(F)F ZINC000565247307 564273146 /nfs/dbraw/zinc/27/31/46/564273146.db2.gz YTRHWCKEPJXOEF-VIFPVBQESA-N 1 0 387.143 2.534 20 0 GFADRO CC(C)Oc1ccc(Br)cc1NC(=O)NCCOCC[NH+](C)C ZINC000473706504 564252599 /nfs/dbraw/zinc/25/25/99/564252599.db2.gz PTJYOPZOKDUHRB-UHFFFAOYSA-N 1 0 388.306 2.936 20 0 GFADRO O=C(NCC[NH2+]C[C@@H](O)CCc1ccccc1)c1cccc(Br)c1 ZINC000564848421 564252832 /nfs/dbraw/zinc/25/28/32/564252832.db2.gz WZFHBQOFOXAJKD-SFHVURJKSA-N 1 0 391.309 2.762 20 0 GFADRO COc1cc(C[C@H](CO)C[NH2+]Cc2ccc(Br)cn2)cc(OC)c1 ZINC000540612818 564253444 /nfs/dbraw/zinc/25/34/44/564253444.db2.gz SMFSRAPAUIFBIH-AWEZNQCLSA-N 1 0 395.297 2.802 20 0 GFADRO C[C@@]1(CCCO)CCC[N@@H+]1Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000540714310 564255685 /nfs/dbraw/zinc/25/56/85/564255685.db2.gz FPHVRWMJNLPHFW-KRWDZBQOSA-N 1 0 380.286 2.584 20 0 GFADRO C[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000564900144 564255695 /nfs/dbraw/zinc/25/56/95/564255695.db2.gz UZQKJYRMQFLNCW-SMDDNHRTSA-N 1 0 382.295 2.698 20 0 GFADRO CS[C@@H]1CN(S(=O)(=O)c2ccc(Cl)c(F)c2Cl)C[C@@H]1[NH+](C)C ZINC000473935599 564258578 /nfs/dbraw/zinc/25/85/78/564258578.db2.gz BRRZRJUBRQWGSS-VHSXEESVSA-N 1 0 387.329 2.799 20 0 GFADRO CC(C)([NH3+])CNC(=O)c1ccc(I)c(Br)c1 ZINC000564944873 564259377 /nfs/dbraw/zinc/25/93/77/564259377.db2.gz HMTLJSRLLNHWAX-UHFFFAOYSA-N 1 0 397.054 2.521 20 0 GFADRO C[C@H](CNC(=O)N(C)CC[N@H+](C)C1CC1)Oc1ccc(Br)cc1 ZINC000474026218 564261444 /nfs/dbraw/zinc/26/14/44/564261444.db2.gz BYOOTSLFGLLLLN-CYBMUJFWSA-N 1 0 384.318 2.952 20 0 GFADRO COC(=O)c1cc(NC(=O)[C@@H]2CC23CC[NH2+]CC3)cc(Br)c1F ZINC000564992660 564261806 /nfs/dbraw/zinc/26/18/06/564261806.db2.gz ICIOLNZUFYAVLK-NSHDSACASA-N 1 0 385.233 2.703 20 0 GFADRO CS(=O)(=O)Nc1cc(C(=O)N(CCC[NH3+])CC2CCCC2)ccc1Cl ZINC000564994225 564262177 /nfs/dbraw/zinc/26/21/77/564262177.db2.gz CJLSIMJLSQTVFP-UHFFFAOYSA-N 1 0 387.933 2.693 20 0 GFADRO C[C@@H]1C[N@H+](C)[C@H](C)CN1c1ncnc2ccc(I)cc21 ZINC000508385799 564262638 /nfs/dbraw/zinc/26/26/38/564262638.db2.gz IMZZLIIKEZRTCG-GHMZBOCLSA-N 1 0 382.249 2.763 20 0 GFADRO CC[NH+](CC)[C@H](C)CNS(=O)(=O)c1cc(Br)c(C)cc1OC ZINC000474065919 564263540 /nfs/dbraw/zinc/26/35/40/564263540.db2.gz MFPPVYPYHAMJRV-GFCCVEGCSA-N 1 0 393.347 2.775 20 0 GFADRO CC[NH+](CC)CCN(C(=O)c1cncnc1)c1ccc(Br)cn1 ZINC000565045876 564263511 /nfs/dbraw/zinc/26/35/11/564263511.db2.gz CNNBSWVBTAEOPI-UHFFFAOYSA-N 1 0 378.274 2.623 20 0 GFADRO Cn1c(-c2ccc(F)cc2Br)nnc1N1CC[NH+](CC2CC2)CC1 ZINC000508580045 564266566 /nfs/dbraw/zinc/26/65/66/564266566.db2.gz FSBIGXUQVGBTCO-UHFFFAOYSA-N 1 0 394.292 2.916 20 0 GFADRO C[C@@H]1CCC[N@@H+](C(C)(C)CNS(=O)(=O)c2ccc(C(F)(F)F)nc2)C1 ZINC000541108215 564266777 /nfs/dbraw/zinc/26/67/77/564266777.db2.gz VCLCROPICJRVNT-GFCCVEGCSA-N 1 0 379.448 2.889 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)c2cc(I)ccc2F)CC[N@@H+]1C ZINC000474978860 564296713 /nfs/dbraw/zinc/29/67/13/564296713.db2.gz NKRQPYCJJLKXKS-KOLCDFICSA-N 1 0 376.213 2.643 20 0 GFADRO COc1cccc(C[C@H](C)[NH2+]CCNC(=O)c2cccc(Br)c2)n1 ZINC000541250607 564270647 /nfs/dbraw/zinc/27/06/47/564270647.db2.gz BAMUWNHTWXWXRL-ZDUSSCGKSA-N 1 0 392.297 2.803 20 0 GFADRO COC(=O)c1ccc(OC[C@H](O)C[NH2+]Cc2cccc(Br)c2)cc1 ZINC000565298883 564275073 /nfs/dbraw/zinc/27/50/73/564275073.db2.gz CCCHTPIZWIDJMZ-MRXNPFEDSA-N 1 0 394.265 2.765 20 0 GFADRO CCC[N@H+](C)[C@H](CNC(=O)NC[C@@H](O)C(F)(F)F)c1ccc(Cl)cc1 ZINC000509011643 564279219 /nfs/dbraw/zinc/27/92/19/564279219.db2.gz BLYPXKAPGNRTKZ-ZIAGYGMSSA-N 1 0 381.826 2.945 20 0 GFADRO CN(CC[N@H+](C)C1CC1)C(=O)c1cc(I)ccc1F ZINC000474570249 564281215 /nfs/dbraw/zinc/28/12/15/564281215.db2.gz LZEMBHQPKQGRET-UHFFFAOYSA-N 1 0 376.213 2.597 20 0 GFADRO CC(C)[N@@H+]1CCC[C@@H](NS(=O)(=O)c2cc(Br)ccc2F)C1 ZINC000474581988 564282511 /nfs/dbraw/zinc/28/25/11/564282511.db2.gz XLOYXQCZTODGTN-GFCCVEGCSA-N 1 0 379.295 2.739 20 0 GFADRO CN(C)S(=O)(=O)CC[NH2+][C@@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000509139331 564283360 /nfs/dbraw/zinc/28/33/60/564283360.db2.gz NOLJGZRKDVPJCR-CQSZACIVSA-N 1 0 379.295 2.520 20 0 GFADRO C[C@@H](CCc1ccc(I)cc1)[NH2+][C@@H](C)CS(C)(=O)=O ZINC000474719691 564286825 /nfs/dbraw/zinc/28/68/25/564286825.db2.gz MMLDUOCKWHPALG-RYUDHWBXSA-N 1 0 395.306 2.635 20 0 GFADRO Fc1ccc(I)c(F)c1CN[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000474729240 564287546 /nfs/dbraw/zinc/28/75/46/564287546.db2.gz OYUTXACDDZUWSU-SECBINFHSA-N 1 0 378.204 2.896 20 0 GFADRO C[C@H](CCc1ccc(I)cc1)[NH2+]CCC[S@](C)=O ZINC000474810863 564290103 /nfs/dbraw/zinc/29/01/03/564290103.db2.gz PZNCCEQSLKHFNS-XIKOKIGWSA-N 1 0 379.307 2.971 20 0 GFADRO O[C@H](C[NH2+]Cc1ccc(OC(F)(F)F)c(Br)c1)[C@H]1CCOC1 ZINC000474801145 564290294 /nfs/dbraw/zinc/29/02/94/564290294.db2.gz KHQIWCXEIFNBMJ-CMPLNLGQSA-N 1 0 384.192 2.835 20 0 GFADRO O=C(NCCNc1ncc(C(F)(F)F)cc1Cl)N[C@@H]1CCCC[NH2+]C1 ZINC000565704935 564291882 /nfs/dbraw/zinc/29/18/82/564291882.db2.gz IWQNYDOUFYGJLK-LLVKDONJSA-N 1 0 379.814 2.607 20 0 GFADRO Cc1nc2ccc(Br)cn2c1C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000474898178 564292585 /nfs/dbraw/zinc/29/25/85/564292585.db2.gz GDZNWRIDBIDCTD-ZIAGYGMSSA-N 1 0 377.286 2.762 20 0 GFADRO O=S(=O)(c1sccc1Cl)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000451270773 564293747 /nfs/dbraw/zinc/29/37/47/564293747.db2.gz JNMIOPKLOCHJAW-UHFFFAOYSA-N 1 0 378.947 2.667 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)c2cc(I)ccc2F)C[N@@H+]1C1CC1 ZINC000474964899 564295937 /nfs/dbraw/zinc/29/59/37/564295937.db2.gz YQXSUSGGKOZKOD-MWLCHTKSSA-N 1 0 388.224 2.785 20 0 GFADRO CCN(C)C(=O)[C@@H]([NH2+]CC(=O)Nc1ccc(Br)c(C)c1)C(C)C ZINC000451319257 564300059 /nfs/dbraw/zinc/30/00/59/564300059.db2.gz ZRPZCVFYWBOJAZ-INIZCTEOSA-N 1 0 384.318 2.789 20 0 GFADRO CC(C)N1C(=O)C[C@@H]([NH2+][C@H](C)CS(C)(=O)=O)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000542160527 564302963 /nfs/dbraw/zinc/30/29/63/564302963.db2.gz PUXWFJQYCQUFRZ-JGFGOQIWSA-N 1 0 390.908 2.552 20 0 GFADRO COc1cc(C[NH2+]CCCCn2cc(Br)cn2)cc2c1OCO2 ZINC000475202543 564303220 /nfs/dbraw/zinc/30/32/20/564303220.db2.gz MMXJNHJTSHNEGF-UHFFFAOYSA-N 1 0 382.258 2.953 20 0 GFADRO O=C(N[C@H]1C[NH2+]CCC1(F)F)c1ccn(-c2ccc(Cl)c(Cl)c2)n1 ZINC000565950444 564303605 /nfs/dbraw/zinc/30/36/05/564303605.db2.gz DQVKBTPNMQYCLN-ZDUSSCGKSA-N 1 0 375.206 2.906 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H](CNC(=O)c2cnn(-c3cccc(Br)c3)c2)C1 ZINC000566004477 564306134 /nfs/dbraw/zinc/30/61/34/564306134.db2.gz AEIPMQZIEUNFCT-IUODEOHRSA-N 1 0 377.286 2.882 20 0 GFADRO C[C@@H]1CN(C(=O)c2cc(=O)[nH]c3ccc(Br)cc32)[C@@H](C)C[N@@H+]1C ZINC000509623633 564306281 /nfs/dbraw/zinc/30/62/81/564306281.db2.gz FHLTZJUNQGYFJV-MNOVXSKESA-N 1 0 378.270 2.868 20 0 GFADRO C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)C1CCN(C(=O)c2ccc(Cl)s2)CC1 ZINC000509651468 564308224 /nfs/dbraw/zinc/30/82/24/564308224.db2.gz KRHKNVZNKQSDKG-CHWSQXEVSA-N 1 0 383.945 2.805 20 0 GFADRO O=C(COc1ccc(Br)cc1)N1CC[C@H](OCC[NH+]2CCCC2)C1 ZINC000475450249 564308858 /nfs/dbraw/zinc/30/88/58/564308858.db2.gz BNFMUZPNIDTOEN-KRWDZBQOSA-N 1 0 397.313 2.541 20 0 GFADRO CC(C)n1ccc(C[C@H](C)[NH2+][C@@H](C(N)=O)c2cccc(Br)c2)n1 ZINC000475434247 564308864 /nfs/dbraw/zinc/30/88/64/564308864.db2.gz MMSKGHZLOUKXOH-BLLLJJGKSA-N 1 0 379.302 2.974 20 0 GFADRO COc1ccc(Br)c(C(=O)N2CC[C@H](OCC[NH+]3CCCC3)C2)c1 ZINC000475452973 564309008 /nfs/dbraw/zinc/30/90/08/564309008.db2.gz WKTZZVKXVMZDGZ-HNNXBMFYSA-N 1 0 397.313 2.785 20 0 GFADRO COc1ccc(Br)c(C(=O)N2CC[C@@H](OCC[NH+]3CCCC3)C2)c1 ZINC000475452975 564309012 /nfs/dbraw/zinc/30/90/12/564309012.db2.gz WKTZZVKXVMZDGZ-OAHLLOKOSA-N 1 0 397.313 2.785 20 0 GFADRO O=S(=O)(CCC[NH2+]C[C@@H](O)COc1ccc(Cl)cc1)c1ccccc1 ZINC000566108868 564310448 /nfs/dbraw/zinc/31/04/48/564310448.db2.gz GLTBSUHBPLFKGS-MRXNPFEDSA-N 1 0 383.897 2.533 20 0 GFADRO O[C@H](C[NH2+][C@@H]1CCC[C@@H]2OCC[C@H]21)COc1cc(F)cc(Br)c1 ZINC000566114465 564310560 /nfs/dbraw/zinc/31/05/60/564310560.db2.gz IDRMBZKPVNECFL-XBVQOTNRSA-N 1 0 388.277 2.875 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)[C@H]1C ZINC000509742820 564312037 /nfs/dbraw/zinc/31/20/37/564312037.db2.gz MOYSWRHYGGDLAQ-CJNGLKHVSA-N 1 0 394.313 2.781 20 0 GFADRO O=C([C@H]1C[N@@H+]2CCN1CCC2)N1CCC[C@@H]1c1ccc(Br)s1 ZINC000542458853 564313031 /nfs/dbraw/zinc/31/30/31/564313031.db2.gz QMNJLQOMOINLPX-CHWSQXEVSA-N 1 0 384.343 2.564 20 0 GFADRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)C(=O)Nc1ccc(Br)c(F)c1 ZINC000509797700 564313527 /nfs/dbraw/zinc/31/35/27/564313527.db2.gz YNBKIGSUJPQHKY-NHYWBVRUSA-N 1 0 398.276 2.612 20 0 GFADRO COc1ccc(Br)cc1CNC(=O)[C@]1([NH3+])[C@@H]2CCCO[C@H]2C1(C)C ZINC000566170461 564313801 /nfs/dbraw/zinc/31/38/01/564313801.db2.gz FTTBFORUYAIDNQ-DDUZABMNSA-N 1 0 397.313 2.606 20 0 GFADRO COC[C@@H](C)[NH2+]C[C@H]1CCCN1Cc1ccc(I)cc1 ZINC000475631721 564314773 /nfs/dbraw/zinc/31/47/73/564314773.db2.gz CGQMULDNCPQZKX-CZUORRHYSA-N 1 0 388.293 2.880 20 0 GFADRO C[C@H]([NH3+])C[C@H](C)NC(=O)N1CCO[C@H](c2ccc(F)c(Br)c2)C1 ZINC000566192966 564315584 /nfs/dbraw/zinc/31/55/84/564315584.db2.gz GCMAJZFUJAPEGF-PGUXBMHVSA-N 1 0 388.281 2.797 20 0 GFADRO O=C1NCC[C@H]1[N@H+](CCOc1cccc(Br)c1)C[C@H]1CCCS1 ZINC000475688802 564316506 /nfs/dbraw/zinc/31/65/06/564316506.db2.gz PUORUXUHDITFJY-HZPDHXFCSA-N 1 0 399.354 2.914 20 0 GFADRO CO[C@@]1(C)C[C@@H]([NH2+]Cc2nnnn2-c2ccccc2Br)C1(C)C ZINC000451481958 564317827 /nfs/dbraw/zinc/31/78/27/564317827.db2.gz BWAVHSNCAHHYBB-CJNGLKHVSA-N 1 0 380.290 2.718 20 0 GFADRO COCCCOc1ccc(Cl)cc1S(=O)(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000475800886 564321307 /nfs/dbraw/zinc/32/13/07/564321307.db2.gz WLQZCQXJZOHPCO-CYBMUJFWSA-N 1 0 390.933 2.516 20 0 GFADRO CC(C)[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)N(C)[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000510010701 564322073 /nfs/dbraw/zinc/32/20/73/564322073.db2.gz QZAJUHMLXQXATH-WOSRLPQWSA-N 1 0 385.961 2.955 20 0 GFADRO CN1CCO[C@@H]2CCN(C(=O)c3cc4c(ccc(F)c4Br)[nH]3)C[C@@H]21 ZINC000451529653 564322371 /nfs/dbraw/zinc/32/23/71/564322371.db2.gz NPUMZHVLDZQKMN-LSDHHAIUSA-N 1 0 396.260 2.615 20 0 GFADRO COC(=O)C[C@@H]1CSCC[N@@H+]1C[C@H](O)COc1cc(Cl)ccc1Cl ZINC000475883140 564323572 /nfs/dbraw/zinc/32/35/72/564323572.db2.gz QKQGDOHUYHLGFY-OLZOCXBDSA-N 1 0 394.320 2.714 20 0 GFADRO Cc1nc2ccc(Br)cn2c1C(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000475934308 564324381 /nfs/dbraw/zinc/32/43/81/564324381.db2.gz RRJVEJCEAAXBON-AWEZNQCLSA-N 1 0 377.286 2.714 20 0 GFADRO CC[N@H+](CC(=O)N[C@](C)(CC(=O)OC)c1ccc(Br)cc1)C1CC1 ZINC000476098510 564327107 /nfs/dbraw/zinc/32/71/07/564327107.db2.gz WQKQOSWNYLYKGP-GOSISDBHSA-N 1 0 397.313 2.828 20 0 GFADRO Cc1nc2ccc(Br)cn2c1C(=O)N1CC[N@@H+](C)C[C@H]1C(C)C ZINC000476090270 564327190 /nfs/dbraw/zinc/32/71/90/564327190.db2.gz JNNDUZHLSXMVGM-AWEZNQCLSA-N 1 0 379.302 2.817 20 0 GFADRO COCCCN(C1CC[NH+](C)CC1)S(=O)(=O)Cc1c(F)cccc1Cl ZINC000451572731 564327499 /nfs/dbraw/zinc/32/74/99/564327499.db2.gz STXGOPBEXDLDIT-UHFFFAOYSA-N 1 0 392.924 2.742 20 0 GFADRO Cc1c(Br)cccc1CNC(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000566434708 564327674 /nfs/dbraw/zinc/32/76/74/564327674.db2.gz GFPYALADFXHJRO-CYBMUJFWSA-N 1 0 398.345 2.744 20 0 GFADRO C[C@@H](C(=O)NC(=O)NC1CC1)N1CC[C@H](c2cccc(Br)c2)C1 ZINC000451572618 564327670 /nfs/dbraw/zinc/32/76/70/564327670.db2.gz SFGLEMZAGHPHMC-AAEUAGOBSA-N 1 0 380.286 2.615 20 0 GFADRO O=C(NC[C@]1(O)C[NH+]2CCC1CC2)c1cccc2cccc(Br)c21 ZINC000566456274 564328047 /nfs/dbraw/zinc/32/80/47/564328047.db2.gz UAQAWTFHIQWWQK-IBGZPJMESA-N 1 0 389.293 2.789 20 0 GFADRO C[NH+](C)CCOc1cc(C(=O)Nc2ccc(Br)cc2O)ccn1 ZINC000542835087 564327999 /nfs/dbraw/zinc/32/79/99/564327999.db2.gz MYROXMPMZHZUJK-UHFFFAOYSA-N 1 0 380.242 2.742 20 0 GFADRO COCCC[N@H+](C)CCNC(=O)c1cc2sc(N3CCCC3)nc2s1 ZINC000476164339 564328985 /nfs/dbraw/zinc/32/89/85/564328985.db2.gz SDSXMDFUMLGMNV-UHFFFAOYSA-N 1 0 382.555 2.656 20 0 GFADRO Cc1ccc(CCC(=O)NCCCC[NH+]2CCN(C)CC2)c(Br)c1 ZINC000542864403 564329425 /nfs/dbraw/zinc/32/94/25/564329425.db2.gz XRBIKZXVZUSCOU-UHFFFAOYSA-N 1 0 396.373 2.834 20 0 GFADRO CC[C@H](C)[NH2+][C@H](CNS(=O)(=O)c1csc(C(=O)OC)c1)c1ccco1 ZINC000510392935 564332020 /nfs/dbraw/zinc/33/20/20/564332020.db2.gz FUVBRPVQFYXVLV-WCQYABFASA-N 1 0 386.495 2.535 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)c2ccc(F)c(I)c2)CC[N@@H+]1C ZINC000477287674 564372245 /nfs/dbraw/zinc/37/22/45/564372245.db2.gz SKRHRKQDDAAGHM-KOLCDFICSA-N 1 0 376.213 2.643 20 0 GFADRO O=C(CC(F)(F)F)N1CCC([NH2+]Cc2ncc(Br)s2)CC1 ZINC000542949620 564333719 /nfs/dbraw/zinc/33/37/19/564333719.db2.gz KTBMVUCGSJMVOU-UHFFFAOYSA-N 1 0 386.237 2.939 20 0 GFADRO Cc1cc(COc2ccc(C(=O)NCCCC[NH3+])cc2Br)no1 ZINC000510469594 564334452 /nfs/dbraw/zinc/33/44/52/564334452.db2.gz FKOHPEZOPJJMOG-UHFFFAOYSA-N 1 0 382.258 2.793 20 0 GFADRO C[C@@H]1CN(CC(=O)Nc2c(Cl)cc(Cl)cc2Cl)C[C@H](C)[N@H+]1CCO ZINC000451649522 564335105 /nfs/dbraw/zinc/33/51/05/564335105.db2.gz BTUDPTGKWZOGLW-PHIMTYICSA-N 1 0 394.730 2.972 20 0 GFADRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1S(=O)(=O)c1ccc(Br)cc1F ZINC000510524635 564336513 /nfs/dbraw/zinc/33/65/13/564336513.db2.gz YDIYTYGQEWWKDD-AAEUAGOBSA-N 1 0 391.306 2.836 20 0 GFADRO COc1ccc(C[C@](C)(O)C[NH2+]Cc2ccc(Br)cn2)cc1OC ZINC000566708357 564339073 /nfs/dbraw/zinc/33/90/73/564339073.db2.gz JACPKQPGCNPILR-SFHVURJKSA-N 1 0 395.297 2.945 20 0 GFADRO C[C@@H](Cc1cnccn1)[NH2+][C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000566779664 564342947 /nfs/dbraw/zinc/34/29/47/564342947.db2.gz JNPJEQSVVMOCJX-LRDDRELGSA-N 1 0 375.270 2.565 20 0 GFADRO C[C@@H]1CN(Cc2nc3cc(Br)ccc3o2)CC[N@@H+]1CC(C)(C)O ZINC000510761198 564345975 /nfs/dbraw/zinc/34/59/75/564345975.db2.gz FSNBWWNNCJPITA-GFCCVEGCSA-N 1 0 382.302 2.867 20 0 GFADRO C[N@@H+]1CCC[C@H]2CN(S(=O)(=O)c3cccc(Br)c3F)CC[C@H]21 ZINC000543396904 564348507 /nfs/dbraw/zinc/34/85/07/564348507.db2.gz OVWBSKGUMKMNEU-WCQYABFASA-N 1 0 391.306 2.693 20 0 GFADRO COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]C[C@@H]1CCCCS1(=O)=O ZINC000543411883 564349934 /nfs/dbraw/zinc/34/99/34/564349934.db2.gz CCGIZODPMSCGOQ-OCCSQVGLSA-N 1 0 388.917 2.623 20 0 GFADRO C[C@H](O)C[N@@H+]1CCN(C(=O)NCC(F)(F)c2ccc(Cl)cc2)[C@H](C)C1 ZINC000510892086 564349901 /nfs/dbraw/zinc/34/99/01/564349901.db2.gz FQAHCEQAAVCHQW-OLZOCXBDSA-N 1 0 375.847 2.528 20 0 GFADRO COC1(C[C@H](C)[NH2+]CCNS(=O)(=O)c2ccc(F)cc2Cl)CCC1 ZINC000510957702 564351741 /nfs/dbraw/zinc/35/17/41/564351741.db2.gz IRILFDZSRPMVDJ-LBPRGKRZSA-N 1 0 378.897 2.695 20 0 GFADRO CCOC(=O)[C@@H]1CCC[C@@H]1[NH2+]CC(=O)N[C@@H](C)c1ccc(Br)cc1 ZINC000451791548 564352084 /nfs/dbraw/zinc/35/20/84/564352084.db2.gz QQQLITAQQSTYMD-MAZHCROVSA-N 1 0 397.313 2.948 20 0 GFADRO Cc1cccc(I)c1C(=O)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000476700595 564352175 /nfs/dbraw/zinc/35/21/75/564352175.db2.gz QGJPEAWEXYSZBX-FZMZJTMJSA-N 1 0 384.261 2.812 20 0 GFADRO COC[C@H]([NH2+]CCNS(=O)(=O)c1ccc(F)cc1Cl)C1CCCC1 ZINC000510985458 564352638 /nfs/dbraw/zinc/35/26/38/564352638.db2.gz MHFAMFQMVJRPOS-HNNXBMFYSA-N 1 0 378.897 2.552 20 0 GFADRO CN(C)CC[N@H+](C)CCCN(C)C(=O)COc1cc(Cl)cc(Cl)c1 ZINC000567023634 564353500 /nfs/dbraw/zinc/35/35/00/564353500.db2.gz OKWAPIXBJMESJF-UHFFFAOYSA-N 1 0 376.328 2.714 20 0 GFADRO COCC[C@H]1CCC[C@H]1[NH2+]CCNS(=O)(=O)c1ccc(F)cc1Cl ZINC000511013229 564353708 /nfs/dbraw/zinc/35/37/08/564353708.db2.gz HYIWXJWFKIJVSZ-IUODEOHRSA-N 1 0 378.897 2.552 20 0 GFADRO C[C@@H](O)C[N@@H+]1CCN(C(=O)CCOc2ccc(Cl)c(Cl)c2)[C@H](C)C1 ZINC000476823264 564354797 /nfs/dbraw/zinc/35/47/97/564354797.db2.gz GNWMQPGMPLWUOG-CHWSQXEVSA-N 1 0 375.296 2.676 20 0 GFADRO C[C@@H]1[N@H+](Cc2cc(=O)n3cc(Br)ccc3n2)CCC12CCOCC2 ZINC000543574353 564355447 /nfs/dbraw/zinc/35/54/47/564355447.db2.gz RNITZJAFMORJDF-ZDUSSCGKSA-N 1 0 392.297 2.848 20 0 GFADRO C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)Nc1ccc(F)cc1I ZINC000543626967 564356582 /nfs/dbraw/zinc/35/65/82/564356582.db2.gz OMKUUKBDQOLRLA-UWVGGRQHSA-N 1 0 391.228 2.987 20 0 GFADRO CN(C)S(=O)(=O)CCC[NH+]1CCC(C)(c2nc3ccccc3s2)CC1 ZINC000511139698 564359699 /nfs/dbraw/zinc/35/96/99/564359699.db2.gz ICGCTPPDUIQWGC-UHFFFAOYSA-N 1 0 381.567 2.931 20 0 GFADRO C[C@@H]1CN(CC(F)(F)F)CC[N@H+](C[C@@H](O)COc2ccccc2Cl)C1 ZINC000451869953 564361499 /nfs/dbraw/zinc/36/14/99/564361499.db2.gz HCPOLJGJCGVLAI-UONOGXRCSA-N 1 0 380.838 2.896 20 0 GFADRO COC(=O)c1cc(Cl)c(C)c(S(=O)(=O)NC(C)(C)CCC[NH+](C)C)c1 ZINC000451885220 564362286 /nfs/dbraw/zinc/36/22/86/564362286.db2.gz HJNOLDXSPSRYLH-UHFFFAOYSA-N 1 0 390.933 2.834 20 0 GFADRO COC(=O)c1ccc(C[NH2+]C(C)(C)COc2ncccc2Br)[nH]1 ZINC000543779596 564363099 /nfs/dbraw/zinc/36/30/99/564363099.db2.gz DPRXAXOCLAYMHL-UHFFFAOYSA-N 1 0 382.258 2.906 20 0 GFADRO O=S(=O)(CC[NH2+][C@@H](CO)C1CCCCC1)c1cccc(Br)c1 ZINC000543838797 564366102 /nfs/dbraw/zinc/36/61/02/564366102.db2.gz HYMSUZIDPFSXGL-INIZCTEOSA-N 1 0 390.343 2.754 20 0 GFADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)N(C)Cc1cccc(Br)c1 ZINC000477134222 564366378 /nfs/dbraw/zinc/36/63/78/564366378.db2.gz NXUQUNPTZSJIOG-INIZCTEOSA-N 1 0 384.318 2.701 20 0 GFADRO C[C@@H]1C[N@@H+](CCCCNC(=O)Cc2ccc(Br)cc2O)C[C@H](C)O1 ZINC000477376527 564375021 /nfs/dbraw/zinc/37/50/21/564375021.db2.gz RHPXKBUKFGUDEL-OKILXGFUSA-N 1 0 399.329 2.703 20 0 GFADRO CC[N@@H+]1CCN(Cc2noc(Cc3ccc(Br)cc3)n2)[C@H](C)C1 ZINC000511541589 564375240 /nfs/dbraw/zinc/37/52/40/564375240.db2.gz MACVJDULHYMVCH-CYBMUJFWSA-N 1 0 379.302 2.949 20 0 GFADRO CC[NH+](CC)CCS(=O)(=O)NCC1(c2ccc(C(F)(F)F)cc2)CC1 ZINC000567548700 564376972 /nfs/dbraw/zinc/37/69/72/564376972.db2.gz NGXATVBQSALVGK-UHFFFAOYSA-N 1 0 378.460 2.998 20 0 GFADRO COCC[N@H+](C)CCCC1CCN(S(=O)(=O)CCc2cccs2)CC1 ZINC000477475478 564377924 /nfs/dbraw/zinc/37/79/24/564377924.db2.gz CDAVJNIIBFZBDL-UHFFFAOYSA-N 1 0 388.599 2.691 20 0 GFADRO CC[NH+](CC)[C@@H](CNC(=O)Cn1cc(Br)cn1)c1ccccc1 ZINC000511767786 564381478 /nfs/dbraw/zinc/38/14/78/564381478.db2.gz DQVDHSDBMTYQKJ-INIZCTEOSA-N 1 0 379.302 2.845 20 0 GFADRO CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CCNC(=O)[C@@H]1c1cccc(Br)c1 ZINC000477613525 564382068 /nfs/dbraw/zinc/38/20/68/564382068.db2.gz RSAABEIOKIHNLK-WFASDCNBSA-N 1 0 396.329 2.615 20 0 GFADRO Cc1cc(C(=O)NCC[N@H+]2CC=CCC2)nn1-c1ccc(Br)cc1 ZINC000477648580 564383307 /nfs/dbraw/zinc/38/33/07/564383307.db2.gz IVJYWDBJQOTLRX-UHFFFAOYSA-N 1 0 389.297 2.935 20 0 GFADRO C[C@@H]1CC([NH2+]C[C@@H](O)COc2cc(F)cc(Br)c2)C[C@@H](C)O1 ZINC000567685774 564383439 /nfs/dbraw/zinc/38/34/39/564383439.db2.gz MCNBFUYIVAYEEF-UEKVPHQBSA-N 1 0 376.266 2.874 20 0 GFADRO Cn1ncc(Cl)c1S(=O)(=O)N1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000452022794 564383534 /nfs/dbraw/zinc/38/35/34/564383534.db2.gz WQPDVGVQQUAOHE-UHFFFAOYSA-N 1 0 376.954 2.595 20 0 GFADRO O=S(=O)(CC[NH2+][C@H]1CCO[C@@H](C2CC2)C1)c1cccc(Br)c1 ZINC000567710118 564384591 /nfs/dbraw/zinc/38/45/91/564384591.db2.gz GCFKVLVVBOYTET-GOEBONIOSA-N 1 0 388.327 2.770 20 0 GFADRO C[C@@H](COCC(F)(F)F)[NH2+]C[C@H](O)COc1ccc(Br)cc1 ZINC000567725969 564385298 /nfs/dbraw/zinc/38/52/98/564385298.db2.gz RXAMXSJJVVCYHY-JQWIXIFHSA-N 1 0 386.208 2.746 20 0 GFADRO C[C@@H](CCS(C)(=O)=O)[NH2+]Cc1cnn(-c2ccc(C(F)(F)F)cc2)c1 ZINC000511998235 564388575 /nfs/dbraw/zinc/38/85/75/564388575.db2.gz ZHLFEDBHYMGWKW-LBPRGKRZSA-N 1 0 375.416 2.804 20 0 GFADRO C[C@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH2+][C@@H]1CCC(=O)NC1 ZINC000512011986 564389674 /nfs/dbraw/zinc/38/96/74/564389674.db2.gz XLBCFTCTHVUASO-MWLCHTKSSA-N 1 0 377.794 2.944 20 0 GFADRO CCC[N@H+](CC)C[C@H](C)NC(=O)c1ccc(Cl)c(NS(C)(=O)=O)c1 ZINC000567805357 564389982 /nfs/dbraw/zinc/38/99/82/564389982.db2.gz YDEGNTAUXWPIMO-LBPRGKRZSA-N 1 0 375.922 2.562 20 0 GFADRO COc1ccc(Br)cc1S(=O)(=O)NCC[N@@H+]1CCCC1(C)C ZINC000452092546 564390689 /nfs/dbraw/zinc/39/06/89/564390689.db2.gz VBUPQFDOHUXNNG-UHFFFAOYSA-N 1 0 391.331 2.610 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H](CNC(=O)[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C1 ZINC000567845157 564391890 /nfs/dbraw/zinc/39/18/90/564391890.db2.gz MQNCBMVNKBSQKI-BZPMIXESSA-N 1 0 384.307 2.980 20 0 GFADRO C[C@H]1CCC[C@](CNC(=O)C(=O)N(C)Cc2ccc(Cl)s2)([NH+](C)C)C1 ZINC000477983413 564392440 /nfs/dbraw/zinc/39/24/40/564392440.db2.gz AOQPEXOOABIKJN-UGSOOPFHSA-N 1 0 385.961 2.987 20 0 GFADRO CC[N@@H+]1CCC[C@H](CNC(=O)[C@H](C)NC(=O)c2cccc(Cl)c2Cl)C1 ZINC000512106425 564392853 /nfs/dbraw/zinc/39/28/53/564392853.db2.gz OOZSXHJAFQHJJW-QWHCGFSZSA-N 1 0 386.323 2.960 20 0 GFADRO CC(C)[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2ccc(Br)cc2F)C1 ZINC000452105000 564393192 /nfs/dbraw/zinc/39/31/92/564393192.db2.gz NCRKIMJKQUNGDN-LBPRGKRZSA-N 1 0 379.295 2.691 20 0 GFADRO COc1cccc(OC)c1C[NH2+]CCNC(=O)c1ccc(Br)cc1 ZINC000512145316 564393748 /nfs/dbraw/zinc/39/37/48/564393748.db2.gz MRJOFDMNXIDRKM-UHFFFAOYSA-N 1 0 393.281 2.986 20 0 GFADRO C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)Nc1cc(Br)cc(C(F)(F)F)c1 ZINC000567866990 564393786 /nfs/dbraw/zinc/39/37/86/564393786.db2.gz CMSZVDKCPOMENX-SFYZADRCSA-N 1 0 396.207 2.648 20 0 GFADRO C[C@H]1C[N@H+](CCO)CCN1Cc1cccc(Br)c1OC(F)F ZINC000452118222 564394644 /nfs/dbraw/zinc/39/46/44/564394644.db2.gz DUEGLPBRYWCMBW-NSHDSACASA-N 1 0 379.245 2.549 20 0 GFADRO C[NH2+][C@H](CC(C)(C)C)C(=O)N[C@@H](C(=O)OC)c1ccc(Br)cc1 ZINC000567890392 564394926 /nfs/dbraw/zinc/39/49/26/564394926.db2.gz CGNHWFUGNLPYHH-ZIAGYGMSSA-N 1 0 385.302 2.804 20 0 GFADRO CN(Cc1cc(Br)cs1)C(=O)C[N@@H+]1CC[C@@H](CCCO)C1 ZINC000452117522 564395279 /nfs/dbraw/zinc/39/52/79/564395279.db2.gz DFRIPWZCVXAFJQ-GFCCVEGCSA-N 1 0 375.332 2.563 20 0 GFADRO [NH3+]CCc1nc(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3Cl)C2)cs1 ZINC000567910438 564395652 /nfs/dbraw/zinc/39/56/52/564395652.db2.gz WVERTVOTERBGOZ-NSHDSACASA-N 1 0 385.320 2.960 20 0 GFADRO CCC[C@]1([NH2+]CC(=O)Nc2ccc(I)cc2)CCOC1 ZINC000512265004 564396063 /nfs/dbraw/zinc/39/60/63/564396063.db2.gz XFNDUUUDLADYLS-HNNXBMFYSA-N 1 0 388.249 2.779 20 0 GFADRO [NH3+]CCc1nc(C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3Cl)C2)cs1 ZINC000567910437 564396103 /nfs/dbraw/zinc/39/61/03/564396103.db2.gz WVERTVOTERBGOZ-LLVKDONJSA-N 1 0 385.320 2.960 20 0 GFADRO CN(CCCN1CC[NH+](C)CC1)C(=O)[C@H]1CCc2cc(Br)ccc21 ZINC000567900954 564396182 /nfs/dbraw/zinc/39/61/82/564396182.db2.gz SSAHMBXQFJINMI-SFHVURJKSA-N 1 0 394.357 2.575 20 0 GFADRO C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+]1CC[C@H](CCCO)C1 ZINC000452134838 564396285 /nfs/dbraw/zinc/39/62/85/564396285.db2.gz VHYWLMGWYMPIMT-GJZGRUSLSA-N 1 0 383.330 2.890 20 0 GFADRO CC[NH+](CC)CCNC(=O)[C@H](c1cc(Cl)cc(Cl)c1)N1CCOCC1 ZINC000512283505 564396722 /nfs/dbraw/zinc/39/67/22/564396722.db2.gz ZNRNUZAFJWTHCJ-KRWDZBQOSA-N 1 0 388.339 2.825 20 0 GFADRO COCCN(CC[NH+](C)C)C(=O)c1cc(C)nc2ccc(Br)cc21 ZINC000567944658 564397645 /nfs/dbraw/zinc/39/76/45/564397645.db2.gz TZMKQASEJNWBIN-UHFFFAOYSA-N 1 0 394.313 2.956 20 0 GFADRO C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)N[C@H](CO)C[NH+]1CCCCC1 ZINC000512374575 564399654 /nfs/dbraw/zinc/39/96/54/564399654.db2.gz GWKDNDKFUNOSQG-OLZOCXBDSA-N 1 0 375.296 2.724 20 0 GFADRO C[C@@H]1C[C@@H](N2CCOCC2)C[N@@H+]1CCOc1cc(F)cc(Br)c1 ZINC000512432444 564401286 /nfs/dbraw/zinc/40/12/86/564401286.db2.gz GGZZEYGODGOISR-CZUORRHYSA-N 1 0 387.293 2.762 20 0 GFADRO C[C@@H]1C[C@H](N2CCOCC2)C[N@@H+]1C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000512450254 564402430 /nfs/dbraw/zinc/40/24/30/564402430.db2.gz QEOUJQDTKXXGDX-QLFBSQMISA-N 1 0 389.323 2.528 20 0 GFADRO O[C@@H](C[NH2+][C@H]1C[C@H](c2ccc(Br)cc2)C1)COC1CCOCC1 ZINC000568079452 564404182 /nfs/dbraw/zinc/40/41/82/564404182.db2.gz ZLXATYZXVCIGAC-XIRDDKMYSA-N 1 0 384.314 2.841 20 0 GFADRO CC(C)(C)OC(=O)[C@@](C)(O)C[NH2+][C@@H]1CCc2cccc(Br)c2C1 ZINC000512552462 564404873 /nfs/dbraw/zinc/40/48/73/564404873.db2.gz ORAYGCSPCCFNKX-ACJLOTCBSA-N 1 0 384.314 2.989 20 0 GFADRO O=S(=O)(c1cccs1)N1CC[C@H](C[NH2+][C@H]2CCc3ccccc3C2)C1 ZINC000512579571 564406181 /nfs/dbraw/zinc/40/61/81/564406181.db2.gz WANGTXAGFGSNBU-QAPCUYQASA-N 1 0 376.547 2.906 20 0 GFADRO C[C@@H]1[C@H]([N@H+](C)CCO)CCN1C(=O)c1cc2c(ccc(F)c2Br)[nH]1 ZINC000452354982 564407744 /nfs/dbraw/zinc/40/77/44/564407744.db2.gz MPGQJNBJEQNIIP-MEBBXXQBSA-N 1 0 398.276 2.597 20 0 GFADRO CC(=O)c1cc(Br)ccc1OCC(=O)N(C)[C@@H]1CN2CCC1CC2 ZINC000512671930 564407839 /nfs/dbraw/zinc/40/78/39/564407839.db2.gz DTXRUAFIQUNBDT-MRXNPFEDSA-N 1 0 395.297 2.583 20 0 GFADRO Cc1cc(Br)cc(C)c1S(=O)(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000512708618 564408617 /nfs/dbraw/zinc/40/86/17/564408617.db2.gz UWDZMOXKGKHYKV-LSDHHAIUSA-N 1 0 387.343 2.971 20 0 GFADRO CC(=O)c1cc(Br)ccc1OCC(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000512677249 564408712 /nfs/dbraw/zinc/40/87/12/564408712.db2.gz HYOVWVZROQUFFS-OAHLLOKOSA-N 1 0 395.297 2.726 20 0 GFADRO C[C@@H](CC(=O)NC[C@H]1CCC[N@@H+]1CCCO)c1ccc(Br)cc1 ZINC000452359493 564409206 /nfs/dbraw/zinc/40/92/06/564409206.db2.gz HLOYKJQZMXIQJF-WMLDXEAASA-N 1 0 383.330 2.906 20 0 GFADRO O=C(CSc1cccc(C(F)(F)F)c1)NC[C@@H]1CCCC[N@H+]1CCO ZINC000452374489 564409905 /nfs/dbraw/zinc/40/99/05/564409905.db2.gz KFKULBJVKIJROT-AWEZNQCLSA-N 1 0 376.444 2.761 20 0 GFADRO C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000452372016 564410343 /nfs/dbraw/zinc/41/03/43/564410343.db2.gz BQPVPDHUVRPCFT-GXTWGEPZSA-N 1 0 375.296 2.724 20 0 GFADRO Cc1ccc(I)cc1NC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC000478653829 564410644 /nfs/dbraw/zinc/41/06/44/564410644.db2.gz CHIQFWRBJUKZOS-GFCCVEGCSA-N 1 0 388.249 2.506 20 0 GFADRO C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000452378734 564411254 /nfs/dbraw/zinc/41/12/54/564411254.db2.gz XOJXCOKDVZCWAN-QWHCGFSZSA-N 1 0 375.296 2.724 20 0 GFADRO C[C@@H](CC(=O)N[C@@H]1CCC[N@H+](CCCO)C1)c1ccc(Br)cc1 ZINC000452381105 564411875 /nfs/dbraw/zinc/41/18/75/564411875.db2.gz IQKJFTTZAUQXDV-WMLDXEAASA-N 1 0 383.330 2.906 20 0 GFADRO O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000568268738 564412271 /nfs/dbraw/zinc/41/22/71/564412271.db2.gz HZOJSKCMGJDNRN-CHWSQXEVSA-N 1 0 378.416 2.595 20 0 GFADRO O=S(=O)(NCCC[NH2+]Cc1cccs1)c1ccccc1Br ZINC000512866229 564414499 /nfs/dbraw/zinc/41/44/99/564414499.db2.gz YGAPDKJFOKVWKL-UHFFFAOYSA-N 1 0 389.340 2.969 20 0 GFADRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)NCC1(c2ccc(Br)cc2)CCOCC1 ZINC000568388117 564416495 /nfs/dbraw/zinc/41/64/95/564416495.db2.gz FQKNNIOTDPIYKV-ZIAGYGMSSA-N 1 0 398.345 2.922 20 0 GFADRO C[C@]1(CNC(=O)c2cc(=O)[nH]c3c(Br)cccc23)CCC[NH2+]C1 ZINC000568390080 564416516 /nfs/dbraw/zinc/41/65/16/564416516.db2.gz RSEZWVMDJBVMFR-KRWDZBQOSA-N 1 0 378.270 2.822 20 0 GFADRO COc1cc(C(=O)N2CC[C@]3(C2)CCC[NH2+]C3)cc(Br)c1OC ZINC000568383172 564416618 /nfs/dbraw/zinc/41/66/18/564416618.db2.gz MDUVBVNPWNZWLT-QGZVFWFLSA-N 1 0 383.286 2.682 20 0 GFADRO COc1ccc(C[NH2+]C[C@H](N2CCOCC2)C(F)(F)F)c(Cl)c1OC ZINC000512971691 564416911 /nfs/dbraw/zinc/41/69/11/564416911.db2.gz KEWKPYSGSSNEDS-ZDUSSCGKSA-N 1 0 382.810 2.710 20 0 GFADRO C[C@H](C[NH2+]C[C@@H]1CCCCN1S(C)(=O)=O)c1cccc(Br)c1 ZINC000512983188 564416925 /nfs/dbraw/zinc/41/69/25/564416925.db2.gz NIDCZQXONABHAX-CJNGLKHVSA-N 1 0 389.359 2.956 20 0 GFADRO C[NH+](C)CCn1nccc1NC(=O)CCc1cccc(F)c1Br ZINC000452519571 564418840 /nfs/dbraw/zinc/41/88/40/564418840.db2.gz CNCIUMCAVBGEGR-UHFFFAOYSA-N 1 0 383.265 2.918 20 0 GFADRO COC(=O)C[C@](C)([NH2+]CCN1CCOC[C@H]1C)c1ccc(Br)cc1 ZINC000513123905 564420561 /nfs/dbraw/zinc/42/05/61/564420561.db2.gz XTPJPTIZYKPGJM-KDOFPFPSSA-N 1 0 399.329 2.538 20 0 GFADRO Cc1ccc(Br)c(S(=O)(=O)NCC[NH2+]Cc2cccc(O)c2)c1 ZINC000513105960 564420778 /nfs/dbraw/zinc/42/07/78/564420778.db2.gz FINPCWPBZNYWNX-UHFFFAOYSA-N 1 0 399.310 2.531 20 0 GFADRO Cc1ccc(Br)c(S(=O)(=O)NCC[NH2+]Cc2ccccc2)c1 ZINC000513105833 564421168 /nfs/dbraw/zinc/42/11/68/564421168.db2.gz CCPQOFBIQJTKDD-UHFFFAOYSA-N 1 0 383.311 2.826 20 0 GFADRO O=c1c2csc(Cl)c2ncn1C[C@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000568512571 564422394 /nfs/dbraw/zinc/42/23/94/564422394.db2.gz WIQOXVWZNAFTHX-CQSZACIVSA-N 1 0 375.881 2.531 20 0 GFADRO CS[C@@H]1CN(C(=O)Nc2cn(CC(C)C)nc2C(F)F)C[C@@H]1[NH+](C)C ZINC000545438992 564423624 /nfs/dbraw/zinc/42/36/24/564423624.db2.gz WJANFXGJDZLDTB-QWHCGFSZSA-N 1 0 375.489 2.986 20 0 GFADRO C[C@H](N[C@@H]1CC[N@H+](C)[C@@H](C)C1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000479058397 564424280 /nfs/dbraw/zinc/42/42/80/564424280.db2.gz JLBVCYQSHVTXPN-GARJFASQSA-N 1 0 380.341 2.774 20 0 GFADRO CN1C(=O)C[C@@H](C(=O)NCCCC[NH+](C)C)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000479061085 564424453 /nfs/dbraw/zinc/42/44/53/564424453.db2.gz BUPZQAHVLLQHRW-CXAGYDPISA-N 1 0 386.323 2.971 20 0 GFADRO C[C@H](CC[NH+](C)C)NC(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000479092677 564425316 /nfs/dbraw/zinc/42/53/16/564425316.db2.gz FNPNEVISYGTUNN-CJBNDPTMSA-N 1 0 386.323 2.969 20 0 GFADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@H]1CCO[C@@H](c2ccncc2)C1 ZINC000568604748 564426041 /nfs/dbraw/zinc/42/60/41/564426041.db2.gz GGOALZUYYYFQIA-XOKHGSTOSA-N 1 0 392.297 2.904 20 0 GFADRO [NH3+]C[C@@H](C(=O)N1CCC(n2cc(Br)cn2)CC1)c1ccc(F)cc1 ZINC000479138656 564427222 /nfs/dbraw/zinc/42/72/22/564427222.db2.gz YDVGTNLSJHLWCI-MRXNPFEDSA-N 1 0 395.276 2.691 20 0 GFADRO COC(=O)c1cn([C@H]2CC[N@H+](CCOc3cc(Cl)cc(Cl)c3)C2)nn1 ZINC000545519794 564427212 /nfs/dbraw/zinc/42/72/12/564427212.db2.gz XPCGFPITQXZWLO-ZDUSSCGKSA-N 1 0 385.251 2.697 20 0 GFADRO CCC[NH+]1CCC(CNS(=O)(=O)c2ccc(NC(C)=O)c(Cl)c2)CC1 ZINC000479182178 564430298 /nfs/dbraw/zinc/43/02/98/564430298.db2.gz CESOKDPRQUDEOR-UHFFFAOYSA-N 1 0 387.933 2.699 20 0 GFADRO O=C(CCOc1ccc(Cl)c(Cl)c1)NC[C@H]1CCCC[N@H+]1CCO ZINC000452803809 564432625 /nfs/dbraw/zinc/43/26/25/564432625.db2.gz YGJKRDFQJJOJQK-CYBMUJFWSA-N 1 0 375.296 2.725 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)C(=O)NCCCn2cc(Br)cn2)C[C@@H]1C ZINC000513603196 564434138 /nfs/dbraw/zinc/43/41/38/564434138.db2.gz NCVIMZJEUDKFNK-ZFWWWQNUSA-N 1 0 386.338 2.550 20 0 GFADRO COc1ccc(Br)cc1CNC(=O)NCC[N@H+]1CC=C(C)CC1 ZINC000545858560 564434489 /nfs/dbraw/zinc/43/44/89/564434489.db2.gz DJAYCACPRZDDAF-UHFFFAOYSA-N 1 0 382.302 2.909 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)c2c(O)cnc3c(Br)cccc32)CC[N@@H+]1C ZINC000568808851 564435263 /nfs/dbraw/zinc/43/52/63/564435263.db2.gz NPRDJWKDJYEHJA-MNOVXSKESA-N 1 0 378.270 2.915 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000479311133 564435342 /nfs/dbraw/zinc/43/53/42/564435342.db2.gz FSVMZRWPNMQGMF-LSDHHAIUSA-N 1 0 394.313 2.693 20 0 GFADRO CCc1ncc(S(=O)(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)s1 ZINC000545891412 564435974 /nfs/dbraw/zinc/43/59/74/564435974.db2.gz YAJWVHLBIWGIAK-GDBMZVCRSA-N 1 0 379.551 2.894 20 0 GFADRO C[C@@H](CNC(=O)NCc1cc(Br)cc2c1OCC2)C[NH+]1CCCC1 ZINC000545901068 564436850 /nfs/dbraw/zinc/43/68/50/564436850.db2.gz ONEFNAZUJQYQGN-ZDUSSCGKSA-N 1 0 396.329 2.915 20 0 GFADRO CC[N@@H+]1CC[C@@H](CN[C@H](C)c2cc(S(N)(=O)=O)c(Cl)cc2Cl)C1 ZINC000479364952 564437142 /nfs/dbraw/zinc/43/71/42/564437142.db2.gz SJYKHUUGMVSKEH-MNOVXSKESA-N 1 0 380.341 2.633 20 0 GFADRO O=C(N[C@H](Cc1cccc(Br)c1)CC1CC1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000568847731 564438330 /nfs/dbraw/zinc/43/83/30/564438330.db2.gz DVNQEDFESUFBEX-MWDXBVQZSA-N 1 0 378.314 2.677 20 0 GFADRO O=C(Cc1ccc(Cl)s1)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000513806300 564439582 /nfs/dbraw/zinc/43/95/82/564439582.db2.gz GXHSAWWDOARKLN-NVXWUHKLSA-N 1 0 378.925 2.943 20 0 GFADRO C[N@H+](CCCNS(=O)(=O)c1ccc(Br)o1)C1CCCCC1 ZINC000546092964 564444931 /nfs/dbraw/zinc/44/49/31/564444931.db2.gz UZVCDUCMFGVEGH-UHFFFAOYSA-N 1 0 379.320 2.975 20 0 GFADRO C[C@H]([NH2+][C@H]1CCCCNC1=O)c1ccc(F)c(I)c1 ZINC000453073537 564445457 /nfs/dbraw/zinc/44/54/57/564445457.db2.gz GVICETOBJFYXOP-ZANVPECISA-N 1 0 376.213 2.750 20 0 GFADRO CS(=O)(=O)N1CC[C@@H](C[N@H+](Cc2csc(Br)c2)C2CC2)C1 ZINC000514102490 564445921 /nfs/dbraw/zinc/44/59/21/564445921.db2.gz QGNRDKDRUHCBDZ-NSHDSACASA-N 1 0 393.372 2.757 20 0 GFADRO C[C@@H](NC[C@H](O)C[NH+]1CCCC1)c1ccc(F)c(I)c1 ZINC000453083970 564445910 /nfs/dbraw/zinc/44/59/10/564445910.db2.gz GQLDJIBAAQKNQS-YPMHNXCESA-N 1 0 392.256 2.538 20 0 GFADRO C[N@H+]1CC=C(CNS(=O)(=O)c2cc(Br)ccc2Cl)CC1 ZINC000546175658 564448882 /nfs/dbraw/zinc/44/88/82/564448882.db2.gz NQPKYHIKFRPPKF-UHFFFAOYSA-N 1 0 379.707 2.643 20 0 GFADRO CCC[N@H+](CC)C[C@@H](C)NC(=O)c1cncc(I)c1 ZINC000569090458 564448919 /nfs/dbraw/zinc/44/89/19/564448919.db2.gz AGSQTBPIHRKVPQ-LLVKDONJSA-N 1 0 375.254 2.536 20 0 GFADRO Cc1ccc(Br)c(S(=O)(=O)NCC[NH2+][C@H]2CCCC23CC3)c1 ZINC000569122477 564450181 /nfs/dbraw/zinc/45/01/81/564450181.db2.gz PPNUXYIEAYQHCR-HNNXBMFYSA-N 1 0 387.343 2.958 20 0 GFADRO CC(C)OC1CC([NH2+]CCNS(=O)(=O)c2cccc(Cl)c2Cl)C1 ZINC000569155463 564450337 /nfs/dbraw/zinc/45/03/37/564450337.db2.gz FKNHUDPCUZIXTH-UHFFFAOYSA-N 1 0 381.325 2.817 20 0 GFADRO COC[C@](C)(O)CC[NH2+][C@H](C)c1ccc(F)c(I)c1 ZINC000453244549 564450717 /nfs/dbraw/zinc/45/07/17/564450717.db2.gz AXUXJXPMKBFOQN-QMTHXVAHSA-N 1 0 381.229 2.868 20 0 GFADRO COc1ccc(Cl)cc1[C@@H](CC(C)C)[NH2+]C[C@]1(O)CCS(=O)(=O)C1 ZINC000453271697 564450853 /nfs/dbraw/zinc/45/08/53/564450853.db2.gz HCPLHXCLEXCUQP-NVXWUHKLSA-N 1 0 375.918 2.575 20 0 GFADRO COC[C@](C)(O)CC[NH2+][C@@H](c1ccc(Br)cc1)c1cncnc1 ZINC000453248816 564450970 /nfs/dbraw/zinc/45/09/70/564450970.db2.gz FTTSEMQTUSMLJS-DLBZAZTESA-N 1 0 380.286 2.706 20 0 GFADRO COC(=O)c1csc([C@@H](C)[NH2+]CCn2cc(Br)ccc2=O)c1 ZINC000453254776 564451203 /nfs/dbraw/zinc/45/12/03/564451203.db2.gz RJOZVKCHMMSDCR-SNVBAGLBSA-N 1 0 385.283 2.810 20 0 GFADRO CC[C@H](CNS(C)(=O)=O)[NH2+][C@H](c1ccc(Br)cc1)C1CC1 ZINC000453272162 564452209 /nfs/dbraw/zinc/45/22/09/564452209.db2.gz AGNNERPNNMAOTG-CABCVRRESA-N 1 0 375.332 2.818 20 0 GFADRO O=C(Nc1ccc(F)c(Br)c1)C(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000514660903 564452667 /nfs/dbraw/zinc/45/26/67/564452667.db2.gz IEAAAUWIILAVTR-UHFFFAOYSA-N 1 0 398.276 2.519 20 0 GFADRO COc1ccc(Br)cc1C[C@H](CO)C[NH2+][C@H](C)c1cnn(C)c1 ZINC000453337242 564454214 /nfs/dbraw/zinc/45/42/14/564454214.db2.gz ATMGSJONVUPIIM-OLZOCXBDSA-N 1 0 382.302 2.693 20 0 GFADRO COc1ccc(Br)cc1C[C@H](CO)C[NH2+][C@@H]1CCn2ccnc21 ZINC000453392954 564455807 /nfs/dbraw/zinc/45/58/07/564455807.db2.gz ZCYPLMUAXDXCSY-SWLSCSKDSA-N 1 0 380.286 2.540 20 0 GFADRO Cc1c([C@H](C)[NH2+]C[C@@]2(C)CCC(=O)N2)nnn1-c1cccc(Br)c1 ZINC000453405348 564456792 /nfs/dbraw/zinc/45/67/92/564456792.db2.gz QJLXYYNDEAGRMR-APPDUMDISA-N 1 0 392.301 2.658 20 0 GFADRO Cc1ccc(F)c(Br)c1NC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000453575606 564458532 /nfs/dbraw/zinc/45/85/32/564458532.db2.gz KYELUBKAWPVGNU-OLZOCXBDSA-N 1 0 398.276 2.578 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S(=O)(=O)CC[NH2+]CC(C)(C)CC ZINC000569332840 564458792 /nfs/dbraw/zinc/45/87/92/564458792.db2.gz CFUQPHJJVBONQM-UHFFFAOYSA-N 1 0 375.556 2.670 20 0 GFADRO O=C(COc1ccc(Br)cc1F)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000569359779 564459881 /nfs/dbraw/zinc/45/98/81/564459881.db2.gz OUXPJJGALUIZFS-STQMWFEESA-N 1 0 385.277 2.815 20 0 GFADRO C[N@@H+]1C[C@@H]2CCCN(C(=O)c3cnnn3-c3c(Cl)cccc3Cl)[C@@H]2C1 ZINC000569352988 564460082 /nfs/dbraw/zinc/46/00/82/564460082.db2.gz DBPQNVVMXDDOPJ-XHDPSFHLSA-N 1 0 380.279 2.740 20 0 GFADRO CCS(=O)(=O)c1ccc(C[NH2+]C[C@H](O)COc2ccccc2Cl)cc1 ZINC000514855994 564460345 /nfs/dbraw/zinc/46/03/45/564460345.db2.gz KRZMKDZXRSOLAA-HNNXBMFYSA-N 1 0 383.897 2.663 20 0 GFADRO C[C@@H]1[C@H](C)[N@H+](C)CCN1c1ncnc2cccc(I)c21 ZINC000546582967 564460480 /nfs/dbraw/zinc/46/04/80/564460480.db2.gz HVCOKKKXOKYBOG-WDEREUQCSA-N 1 0 382.249 2.763 20 0 GFADRO C[NH+](C)C1CCN(C(=O)C(=O)Nc2cc(Cl)cc(Br)c2)CC1 ZINC000453629897 564460542 /nfs/dbraw/zinc/46/05/42/564460542.db2.gz ZGDYPLIJMLVKFB-UHFFFAOYSA-N 1 0 388.693 2.594 20 0 GFADRO O=C(NC[C@@H]1CCC[NH2+]1)NCC1(c2cccc(Br)c2)CCOCC1 ZINC000514923487 564462679 /nfs/dbraw/zinc/46/26/79/564462679.db2.gz BPUATXPQVBJCLW-INIZCTEOSA-N 1 0 396.329 2.549 20 0 GFADRO Cc1n[nH]cc1CCC[NH2+][C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000480200983 564463349 /nfs/dbraw/zinc/46/33/49/564463349.db2.gz RBLYGYXZFGDJFD-OAHLLOKOSA-N 1 0 398.326 2.922 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)c1ccccc1-n1cc(Br)cn1 ZINC000514992244 564464458 /nfs/dbraw/zinc/46/44/58/564464458.db2.gz RZXMHUZXYZHQJZ-CYBMUJFWSA-N 1 0 375.270 2.601 20 0 GFADRO O[C@@H](C[NH2+]C[C@@H]1CCCCN1C1CC1)COc1cccc(Br)c1 ZINC000515054867 564467715 /nfs/dbraw/zinc/46/77/15/564467715.db2.gz KCKCRJFQGWMVQL-IRXDYDNUSA-N 1 0 383.330 2.795 20 0 GFADRO O[C@@H](C[NH2+]CCCN1CCN(c2cccc(Cl)c2)CC1)CC(F)(F)F ZINC000515055215 564468133 /nfs/dbraw/zinc/46/81/33/564468133.db2.gz VMKZXCLJQLFPFF-MRXNPFEDSA-N 1 0 379.854 2.755 20 0 GFADRO CCN(CCC[NH+](C)C)S(=O)(=O)c1cc(Cl)ccc1O[C@H](C)COC ZINC000480333415 564468302 /nfs/dbraw/zinc/46/83/02/564468302.db2.gz HYXPPMAWGRSAEV-CQSZACIVSA-N 1 0 392.949 2.716 20 0 GFADRO Cc1cc(Br)cn2cc(CNC(=O)N3CC[NH+](C(C)C)CC3)nc12 ZINC000546827211 564470337 /nfs/dbraw/zinc/47/03/37/564470337.db2.gz SXCHVUMUPRBYQF-UHFFFAOYSA-N 1 0 394.317 2.641 20 0 GFADRO COc1ccc(NC(=O)N2C[C@H](SC)[C@@H]([NH+](C)C)C2)cc1Br ZINC000546840263 564470925 /nfs/dbraw/zinc/47/09/25/564470925.db2.gz JOWJBOMGJINUSM-JSGCOSHPSA-N 1 0 388.331 2.967 20 0 GFADRO COC[C@H](C)OC[C@@H](O)C[NH2+]CC1(c2ccc(Br)s2)CCC1 ZINC000515188223 564471576 /nfs/dbraw/zinc/47/15/76/564471576.db2.gz YJUWUAXVXYNRJE-STQMWFEESA-N 1 0 392.359 2.934 20 0 GFADRO C[C@H](CNS(=O)(=O)c1cccc(Br)c1)[N@@H+]1CCCC[C@H]1C ZINC000515217327 564472432 /nfs/dbraw/zinc/47/24/32/564472432.db2.gz HNVJJOVITTWPMQ-CHWSQXEVSA-N 1 0 375.332 2.990 20 0 GFADRO C[C@@H]1CN(C(=O)c2nn(-c3cccc(Br)c3)c3c2CCC3)C[C@@H]1[NH3+] ZINC000515233482 564473030 /nfs/dbraw/zinc/47/30/30/564473030.db2.gz MBNITDBVFCVHAY-ABAIWWIYSA-N 1 0 389.297 2.543 20 0 GFADRO Cc1c(Br)c2ccccc2n1CC(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000569703345 564474682 /nfs/dbraw/zinc/47/46/82/564474682.db2.gz WNZYDLBOKPIKKU-DZGCQCFKSA-N 1 0 376.298 2.923 20 0 GFADRO Cn1cc([C@@H]2CN(C(=O)[C@H]3C[C@@H]3c3ccc(Cl)cc3Cl)C[C@H]2[NH3+])cn1 ZINC000515346474 564475662 /nfs/dbraw/zinc/47/56/62/564475662.db2.gz CHOQCLRHYXBUNP-WBTNSWJXSA-N 1 0 379.291 2.784 20 0 GFADRO O[C@H](C[NH2+][C@@H]1CCO[C@@]2(CCOC2)C1)COc1c(Cl)cccc1Cl ZINC000515347663 564475931 /nfs/dbraw/zinc/47/59/31/564475931.db2.gz LTCNIODNIHIKNE-XNJGSVPQSA-N 1 0 376.280 2.661 20 0 GFADRO CC1CC[NH+](CCCNS(=O)(=O)c2cccc(OC(F)(F)F)c2)CC1 ZINC000515361754 564476766 /nfs/dbraw/zinc/47/67/66/564476766.db2.gz MLZZDPRLOWTQRO-UHFFFAOYSA-N 1 0 380.432 2.986 20 0 GFADRO C[C@@H]1CN(C[C@@H](O)C[NH2+]CC(C)(C)c2cccc(Br)c2)C[C@@H](C)O1 ZINC000515414561 564478436 /nfs/dbraw/zinc/47/84/36/564478436.db2.gz JMCYTIGGDHINOJ-RKVPGOIHSA-N 1 0 399.373 2.786 20 0 GFADRO COc1cc(CNC(=O)C[C@@H]2CCCC[C@@H]2[NH3+])cc(Br)c1OC ZINC000569807901 564479204 /nfs/dbraw/zinc/47/92/04/564479204.db2.gz XIOOTUDFTWDXHG-JSGCOSHPSA-N 1 0 385.302 2.990 20 0 GFADRO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@@H]1C[C@@H]2CCCCN2C1=O ZINC000515480302 564480133 /nfs/dbraw/zinc/48/01/33/564480133.db2.gz KHOUPAGSRAHEBG-UHOFOFEASA-N 1 0 394.313 2.909 20 0 GFADRO COC[C@H](C)OC[C@@H](O)C[NH2+][C@H]1CCN(c2ccc(Cl)cc2Cl)C1 ZINC000569837707 564480312 /nfs/dbraw/zinc/48/03/12/564480312.db2.gz VULLKIOZVOOWDK-QEJZJMRPSA-N 1 0 377.312 2.574 20 0 GFADRO Cc1cccc2c1OC[C@H]([NH2+][C@@H](C(N)=O)c1cccc(Br)c1)C2 ZINC000569895160 564483212 /nfs/dbraw/zinc/48/32/12/564483212.db2.gz NWULMZQAJLYSMZ-HZPDHXFCSA-N 1 0 375.266 2.877 20 0 GFADRO O=C(NCC1CC[NH2+]CC1)C(=O)N(Cc1ccc(Cl)c(Cl)c1)C1CC1 ZINC000515621848 564483797 /nfs/dbraw/zinc/48/37/97/564483797.db2.gz GRWGPMYQYDTMJO-UHFFFAOYSA-N 1 0 384.307 2.600 20 0 GFADRO O=S(=O)(c1cc(Br)ccc1F)N1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000569913280 564484234 /nfs/dbraw/zinc/48/42/34/564484234.db2.gz ADBHMVVYNHGXFF-KBPBESRZSA-N 1 0 391.306 2.883 20 0 GFADRO COC(=O)CC[C@@H]([NH3+])C(=O)Nc1nc(-c2ccc(Br)cc2)cs1 ZINC000569967013 564485985 /nfs/dbraw/zinc/48/59/85/564485985.db2.gz BLAFSAIALKBAJT-LLVKDONJSA-N 1 0 398.282 2.792 20 0 GFADRO C[C@@H]1CCC[N@H+](CCNS(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)C1 ZINC000515733943 564486940 /nfs/dbraw/zinc/48/69/40/564486940.db2.gz BBZGYDAOXFCZIB-LLVKDONJSA-N 1 0 382.860 2.952 20 0 GFADRO Cc1cc(I)cc(C(=O)N[C@H](C)Cn2ccnc2)c1C ZINC000480787487 564488500 /nfs/dbraw/zinc/48/85/00/564488500.db2.gz PYBHYCSSRBNJRM-LLVKDONJSA-N 1 0 383.233 2.923 20 0 GFADRO CC(=O)N[C@@]1(c2nc(Cc3ccccc3Br)cs2)CC[NH2+]C1 ZINC000570093031 564491502 /nfs/dbraw/zinc/49/15/02/564491502.db2.gz GMDZAUVWDYVRGJ-INIZCTEOSA-N 1 0 380.311 2.821 20 0 GFADRO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1Cc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000570147095 564493055 /nfs/dbraw/zinc/49/30/55/564493055.db2.gz LXJSLHHUPJMDDX-KBPBESRZSA-N 1 0 393.329 2.726 20 0 GFADRO CS[C@H]1CN(S(=O)(=O)Cc2ccc(Cl)c(F)c2)C[C@@H]1[NH+]1CCCC1 ZINC000480915713 564495526 /nfs/dbraw/zinc/49/55/26/564495526.db2.gz ZYDIVIGPRXZGCG-HOTGVXAUSA-N 1 0 392.949 2.821 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)C(=O)NCC[N@@H+]1CCCC1(C)C ZINC000454069264 564496372 /nfs/dbraw/zinc/49/63/72/564496372.db2.gz MJMASMRUFSAXBS-UHFFFAOYSA-N 1 0 382.302 2.687 20 0 GFADRO CC[C@H](C[C@H](C)CO)[NH2+]C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000570279679 564498700 /nfs/dbraw/zinc/49/87/00/564498700.db2.gz KOXZZRPNHPMERG-GLQYFDAESA-N 1 0 378.282 2.715 20 0 GFADRO CCN(Cc1ccccc1)S(=O)(=O)N(CC[NH+](C)C)Cc1cccs1 ZINC000481012061 564500445 /nfs/dbraw/zinc/50/04/45/564500445.db2.gz WYGIWCTVOCIBKP-UHFFFAOYSA-N 1 0 381.567 2.879 20 0 GFADRO C[NH+](C)[C@@]1(CNC(=O)NCc2cc(Br)ccc2F)CCSC1 ZINC000481057894 564501376 /nfs/dbraw/zinc/50/13/76/564501376.db2.gz KHBOCGKZMRIJSM-OAHLLOKOSA-N 1 0 390.322 2.825 20 0 GFADRO CC[C@@H]1C[N@H+](C)CCCN1S(=O)(=O)c1cc(OC)ccc1Br ZINC000516514276 564503329 /nfs/dbraw/zinc/50/33/29/564503329.db2.gz NYXVWHCGSZMUCA-GFCCVEGCSA-N 1 0 391.331 2.563 20 0 GFADRO CO[C@H]1CCN(C(=O)CCSc2ccc(Br)cc2)[C@H](C[NH3+])C1 ZINC000516562649 564505399 /nfs/dbraw/zinc/50/53/99/564505399.db2.gz LJBYYNKCMHQTLB-KBPBESRZSA-N 1 0 387.343 2.896 20 0 GFADRO COc1ccc(Br)cc1CNC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000516634044 564507881 /nfs/dbraw/zinc/50/78/81/564507881.db2.gz YCKHXUZFDXSDNS-KRWDZBQOSA-N 1 0 382.302 2.743 20 0 GFADRO CCOC1CC(C[NH2+][C@H](C)c2ccc(Br)cn2)(N2CCOCC2)C1 ZINC000570497703 564507874 /nfs/dbraw/zinc/50/78/74/564507874.db2.gz IBMKFBLFVNMRNI-MXWWQKGMSA-N 1 0 398.345 2.765 20 0 GFADRO COc1ccc(Br)cc1CNC(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000516634045 564508104 /nfs/dbraw/zinc/50/81/04/564508104.db2.gz YCKHXUZFDXSDNS-QGZVFWFLSA-N 1 0 382.302 2.743 20 0 GFADRO C[NH+](C)C[C@H](NC(=O)c1ccc(I)cn1)c1ccccc1 ZINC000454367656 564508426 /nfs/dbraw/zinc/50/84/26/564508426.db2.gz HPVNQFRITMLJNK-HNNXBMFYSA-N 1 0 395.244 2.719 20 0 GFADRO CN(C)CC[N@H+](C)CCCNC(=O)c1cc2cc(Br)ccc2[nH]1 ZINC000570490408 564508468 /nfs/dbraw/zinc/50/84/68/564508468.db2.gz GFLITAQQULSKBV-UHFFFAOYSA-N 1 0 381.318 2.544 20 0 GFADRO C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000516651967 564508746 /nfs/dbraw/zinc/50/87/46/564508746.db2.gz MVBQWRASYNULGI-KZULUSFZSA-N 1 0 384.307 2.714 20 0 GFADRO CC(C)[NH2+]C1(CO)CCN(Cc2cc3c(c(Br)c2)OCO3)CC1 ZINC000516660014 564508882 /nfs/dbraw/zinc/50/88/82/564508882.db2.gz HPZYITBLKYCJOM-UHFFFAOYSA-N 1 0 385.302 2.503 20 0 GFADRO CN(C)[C@@H](CNC(=O)NC[C@@]1([NH+](C)C)CCSC1)c1ccccc1Cl ZINC000481279936 564508907 /nfs/dbraw/zinc/50/89/07/564508907.db2.gz ZCNKKMDUFDJORI-WMZOPIPTSA-N 1 0 384.977 2.679 20 0 GFADRO C[C@@H](c1ccccc1)[C@@H](O)C[NH2+]CCNC(=O)c1ccc(Br)cc1 ZINC000570509238 564509120 /nfs/dbraw/zinc/50/91/20/564509120.db2.gz VCDWNIRZMADKQZ-KSSFIOAISA-N 1 0 391.309 2.933 20 0 GFADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)NC/C=C\c1ccc(Br)cc1 ZINC000454526792 564512336 /nfs/dbraw/zinc/51/23/36/564512336.db2.gz MIVZBTIBRPALPF-MMTGSJLXSA-N 1 0 396.329 2.872 20 0 GFADRO Cc1nn(C)c(C)c1C[C@H](C)[NH2+]C[C@@H](O)COc1cccc(Br)c1 ZINC000570675927 564516466 /nfs/dbraw/zinc/51/64/66/564516466.db2.gz FEFXYUHGHMDIHY-BLLLJJGKSA-N 1 0 396.329 2.760 20 0 GFADRO C/C=C/C[C@H](CO)[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000570683584 564516992 /nfs/dbraw/zinc/51/69/92/564516992.db2.gz WQWCQPVXWPFDMY-XCUNLHGCSA-N 1 0 378.694 2.759 20 0 GFADRO C[C@@H]([NH3+])C[C@H](C)NC(=O)N1CCN(C(=O)c2c(Cl)cccc2Cl)CC1 ZINC000516968310 564519073 /nfs/dbraw/zinc/51/90/73/564519073.db2.gz AAQUKJDUASOUIN-NEPJUHHUSA-N 1 0 387.311 2.587 20 0 GFADRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)c1c(O)cnc2c(Br)cccc21 ZINC000570731205 564519157 /nfs/dbraw/zinc/51/91/57/564519157.db2.gz JBCMPURGSSRFMV-NSHDSACASA-N 1 0 390.281 2.917 20 0 GFADRO CCS(=O)(=O)c1cccc(C(=O)Nc2nc(C3CC[NH2+]CC3)cs2)c1 ZINC000517024242 564521516 /nfs/dbraw/zinc/52/15/16/564521516.db2.gz HZGNCELEFQVGRS-UHFFFAOYSA-N 1 0 379.507 2.656 20 0 GFADRO Cc1nc(Cc2ccccc2)sc1[C@H](C)[NH2+][C@H]1CCN(S(C)(=O)=O)C1 ZINC000517035853 564522619 /nfs/dbraw/zinc/52/26/19/564522619.db2.gz QVDBIBMPNIUSCM-BBRMVZONSA-N 1 0 379.551 2.727 20 0 GFADRO CC[NH+](CC)CCN(CCOC)S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000517088603 564524226 /nfs/dbraw/zinc/52/42/26/564524226.db2.gz XEVQBRBJNCHEML-UHFFFAOYSA-N 1 0 382.448 2.684 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(C(=O)N[C@@H]3C[C@H]3c3ccc(Br)c(F)c3)C[C@@H]21 ZINC000454895076 564526639 /nfs/dbraw/zinc/52/66/39/564526639.db2.gz GGVSNULNUSJECF-KOZAUXTDSA-N 1 0 382.277 2.790 20 0 GFADRO CO[C@@H]1CCN(C(=O)Nc2cc(-c3ccc(Cl)s3)nn2C)[C@H](C[NH3+])C1 ZINC000570909016 564526986 /nfs/dbraw/zinc/52/69/86/564526986.db2.gz AOMPTKPEOTWBAT-WDEREUQCSA-N 1 0 383.905 2.772 20 0 GFADRO Cc1ccc(S(=O)(=O)Nc2ccc(C[NH+](C)C)c(Cl)c2)cc1C(N)=O ZINC000481883118 564527374 /nfs/dbraw/zinc/52/73/74/564527374.db2.gz NXFZOYBWVYZULZ-UHFFFAOYSA-N 1 0 381.885 2.610 20 0 GFADRO C[C@@H]1CN(C(=O)Nc2ccc(F)cc2I)C[C@H](C)[N@H+]1C ZINC000454920174 564528644 /nfs/dbraw/zinc/52/86/44/564528644.db2.gz HCMMCQHRFMOOJU-AOOOYVTPSA-N 1 0 391.228 2.987 20 0 GFADRO O=C(N[C@@H]1CCN(c2ccccc2Br)C1)C12CCC[NH+]1CCC2 ZINC000548085329 564530041 /nfs/dbraw/zinc/53/00/41/564530041.db2.gz XLIUYKGENQPGMJ-CQSZACIVSA-N 1 0 378.314 2.772 20 0 GFADRO CN(C(=O)c1cnc(Sc2nccn2C)c(Cl)c1)[C@H]1CCC[NH2+]CC1 ZINC000517378078 564532991 /nfs/dbraw/zinc/53/29/91/564532991.db2.gz ODIDNLAUQMETNP-ZDUSSCGKSA-N 1 0 379.917 2.834 20 0 GFADRO CC(C)(C)[C@H](C[NH3+])NS(=O)(=O)Cc1cc(Cl)ccc1Br ZINC000571045824 564533517 /nfs/dbraw/zinc/53/35/17/564533517.db2.gz JSFRYKBFNGVOKY-LBPRGKRZSA-N 1 0 383.739 2.895 20 0 GFADRO Cc1cc(NC(=O)C[NH2+][C@@H](C2CC2)[C@]2(CO)CCCO2)ccc1Br ZINC000571057753 564534268 /nfs/dbraw/zinc/53/42/68/564534268.db2.gz BSIHNHGMJOHVEP-ZWKOTPCHSA-N 1 0 397.313 2.606 20 0 GFADRO Cc1nccc(NC(=O)NCC2([NH3+])C3CC4CC(C3)CC2C4)c1Br ZINC000517536181 564535704 /nfs/dbraw/zinc/53/57/04/564535704.db2.gz UGNUYNJTZZQVDN-UHFFFAOYSA-N 1 0 393.329 2.850 20 0 GFADRO CS(=O)(=O)N1CC[C@H]([NH2+][C@H]2CCC[C@H]2c2ccc(C(F)(F)F)cc2)C1 ZINC000517574722 564536486 /nfs/dbraw/zinc/53/64/86/564536486.db2.gz FYMVEJWLNAYKQT-JYJNAYRXSA-N 1 0 376.444 2.965 20 0 GFADRO CC1CC[NH+](C[C@@H](O)CNC(=O)NCCSc2ccc(Cl)cc2)CC1 ZINC000517572242 564536524 /nfs/dbraw/zinc/53/65/24/564536524.db2.gz HHCURPHZPZAHGK-INIZCTEOSA-N 1 0 385.961 2.824 20 0 GFADRO CN(C)CC[N@H+](C)CCCN(C)C(=O)C1(c2cccc(Br)c2)CC1 ZINC000571122310 564537136 /nfs/dbraw/zinc/53/71/36/564537136.db2.gz AYJKOUAZUXDYKA-UHFFFAOYSA-N 1 0 396.373 2.823 20 0 GFADRO Cc1cc(S(=O)(=O)N(C)CC[C@@H]([NH3+])C(C)C)c(F)cc1Br ZINC000571209034 564540590 /nfs/dbraw/zinc/54/05/90/564540590.db2.gz ZXYRCHQKMCUGQY-CYBMUJFWSA-N 1 0 381.311 2.891 20 0 GFADRO C[C@@H](SC[C@H]1CN(C)CCO1)C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000517741368 564540929 /nfs/dbraw/zinc/54/09/29/564540929.db2.gz LFJHZGOBCBBCNY-BXUZGUMPSA-N 1 0 378.416 2.976 20 0 GFADRO COc1cc(C[NH2+]C[C@@H](O)COc2ccc(Br)cc2)ccc1O ZINC000517733053 564541488 /nfs/dbraw/zinc/54/14/88/564541488.db2.gz WSXDYFHLLAHALR-CQSZACIVSA-N 1 0 382.254 2.693 20 0 GFADRO CN1CCC[C@H](C[NH2+][C@H]2CCS(=O)(=O)c3ccc(Br)cc32)C1 ZINC000571227484 564541610 /nfs/dbraw/zinc/54/16/10/564541610.db2.gz ZMJZVQDXRHUYDF-DOMZBBRYSA-N 1 0 387.343 2.599 20 0 GFADRO CC[NH+](CC)CC[C@H](CO)NC(=O)c1cc(Br)c(C)cc1OC ZINC000517960791 564544047 /nfs/dbraw/zinc/54/40/47/564544047.db2.gz OJZVOONJGJCKCN-CYBMUJFWSA-N 1 0 387.318 2.589 20 0 GFADRO O=C(NC[C@H]1CCCC[N@H+]1CCO)Nc1cc(F)cc(F)c1Br ZINC000455245591 564545100 /nfs/dbraw/zinc/54/51/00/564545100.db2.gz DOCRRWNXJYOPMH-LLVKDONJSA-N 1 0 392.244 2.696 20 0 GFADRO C[C@H](NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1ccc(F)cc1Br ZINC000482550600 564545263 /nfs/dbraw/zinc/54/52/63/564545263.db2.gz JNOWXLLDUFFLLP-QWHCGFSZSA-N 1 0 386.309 2.826 20 0 GFADRO C[C@H](Cc1ccc(F)c(Br)c1)NC(=O)COC1CCC([NH3+])CC1 ZINC000571321220 564546301 /nfs/dbraw/zinc/54/63/01/564546301.db2.gz GMTDAWQGGDKLIH-LMWSTFAQSA-N 1 0 387.293 2.922 20 0 GFADRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)C(=O)Nc1cccc(Br)c1 ZINC000518103894 564546916 /nfs/dbraw/zinc/54/69/16/564546916.db2.gz LQATXEVRDYAUID-CHWSQXEVSA-N 1 0 382.302 2.767 20 0 GFADRO O=C(NC[C@H]1CCCC[N@H+]1CCO)Nc1cc(F)cc(Br)c1F ZINC000455301798 564547737 /nfs/dbraw/zinc/54/77/37/564547737.db2.gz ORUYTXSPKHNCDY-LLVKDONJSA-N 1 0 392.244 2.696 20 0 GFADRO CN(C)CC[N@H+](C)CCCNC(=O)Nc1cc(F)cc(Br)c1F ZINC000455311142 564548071 /nfs/dbraw/zinc/54/80/71/564548071.db2.gz XPUMSFWDXFZQOW-UHFFFAOYSA-N 1 0 393.276 2.732 20 0 GFADRO C[C@@H](OC[C@H](O)C[NH2+]CCc1cn2c(n1)SCC2)c1ccc(Cl)cc1 ZINC000571517087 564554630 /nfs/dbraw/zinc/55/46/30/564554630.db2.gz DWJKJLQBFDFWDS-CXAGYDPISA-N 1 0 381.929 2.913 20 0 GFADRO C[C@H](CC[NH+](C)C)NC(=O)C(=O)Nc1ccc(OC(F)(F)F)c(Cl)c1 ZINC000571519830 564555576 /nfs/dbraw/zinc/55/55/76/564555576.db2.gz PHTOQAGWIDNFTJ-SECBINFHSA-N 1 0 381.782 2.634 20 0 GFADRO Cn1cc([C@@H]2CN(C(=O)c3cc(Br)cc4ccccc43)C[C@H]2[NH3+])cn1 ZINC000571550583 564555951 /nfs/dbraw/zinc/55/59/51/564555951.db2.gz WNHJKPKWDZAMTO-ZWKOTPCHSA-N 1 0 399.292 2.903 20 0 GFADRO COCCN(Cc1cc(Br)cs1)C(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000571557859 564556401 /nfs/dbraw/zinc/55/64/01/564556401.db2.gz LCQOMFUQGFICPK-QWRGUYRKSA-N 1 0 378.336 2.794 20 0 GFADRO COc1c[nH+]ccc1N1CCN(C(=O)c2cscc2Br)CC1 ZINC000571628604 564560031 /nfs/dbraw/zinc/56/00/31/564560031.db2.gz MVAINLYNKJWVOG-UHFFFAOYSA-N 1 0 382.283 2.877 20 0 GFADRO Cc1cnc(CC[NH+]2CCC(NS(=O)(=O)c3cccs3)CC2)c(C)c1 ZINC000571638793 564560108 /nfs/dbraw/zinc/56/01/08/564560108.db2.gz ZGBOBLPLJXDJPK-UHFFFAOYSA-N 1 0 379.551 2.745 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)Nc2ccn(-c3ccc(Br)cc3)n2)CC[N@@H+]1C ZINC000455635954 564561570 /nfs/dbraw/zinc/56/15/70/564561570.db2.gz XLODEQCZRGLMNK-OCCSQVGLSA-N 1 0 392.301 3.239 20 0 GFADRO CN(C)C(=O)[C@@H]1CC[N@H+](Cc2nc(-c3ccc(Br)cc3)c[nH]2)C1 ZINC000571741987 564565044 /nfs/dbraw/zinc/56/50/44/564565044.db2.gz QRDXYFZLYBJNTO-CYBMUJFWSA-N 1 0 377.286 2.749 20 0 GFADRO CC(C)[NH2+]CCCNC(=O)N1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000518941617 564565388 /nfs/dbraw/zinc/56/53/88/564565388.db2.gz OFBAGTKBZZPTJG-INIZCTEOSA-N 1 0 384.318 2.920 20 0 GFADRO CC[NH+](CC)CC(=O)N1CCN([C@H](C)c2cccc(Br)c2)CC1 ZINC000483376144 564565531 /nfs/dbraw/zinc/56/55/31/564565531.db2.gz AZSSWQHARDMWFO-OAHLLOKOSA-N 1 0 382.346 2.996 20 0 GFADRO Cc1ccc(F)c(Br)c1NC(=O)N1CC[N@@H+](C[C@@H](C)O)C[C@@H]1C ZINC000455692902 564565845 /nfs/dbraw/zinc/56/58/45/564565845.db2.gz KTZMVQJPTCMXHM-NWDGAFQWSA-N 1 0 388.281 2.815 20 0 GFADRO C[C@@H](CCCO)C[NH2+]C[C@H](O)COc1ccc(Cl)cc1Br ZINC000518979894 564566908 /nfs/dbraw/zinc/56/69/08/564566908.db2.gz VWFSSTQFVAKQDX-AAEUAGOBSA-N 1 0 380.710 2.840 20 0 GFADRO COc1ccc(C(=O)C(=O)N2C[C@@H](SC)[C@@H]([NH+]3CCCC3)C2)cc1Cl ZINC000483410418 564567150 /nfs/dbraw/zinc/56/71/50/564567150.db2.gz QLWHPWOECBQILX-GOEBONIOSA-N 1 0 382.913 2.570 20 0 GFADRO C[C@H]1CN(C(=O)[C@@H]2CCc3cc(Br)ccc32)CC[N@@H+]1CC(C)(C)O ZINC000571883153 564570851 /nfs/dbraw/zinc/57/08/51/564570851.db2.gz FLYZGUDLEUXZBM-SUMWQHHRSA-N 1 0 395.341 2.783 20 0 GFADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)Nc1cc(Cl)ccc1Br ZINC000483668543 564571997 /nfs/dbraw/zinc/57/19/97/564571997.db2.gz LLVCBPBMCYNSJZ-JTQLQIEISA-N 1 0 390.709 2.888 20 0 GFADRO CN(C)C(=O)C1(C[NH2+]C[C@H](O)COc2cc(Cl)ccc2Cl)CCCC1 ZINC000571993656 564576469 /nfs/dbraw/zinc/57/64/69/564576469.db2.gz FIZTVOFJOQQBEO-AWEZNQCLSA-N 1 0 389.323 2.971 20 0 GFADRO O=C(NCCn1cc(Br)cn1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000519444412 564577848 /nfs/dbraw/zinc/57/78/48/564577848.db2.gz CUDSHTYGHZHLQL-MRXNPFEDSA-N 1 0 391.313 2.674 20 0 GFADRO CC(C)[NH+]1CCN(C(=O)NC[C@H](C)Oc2ccccc2Br)CC1 ZINC000483993844 564580061 /nfs/dbraw/zinc/58/00/61/564580061.db2.gz LYHHBVNFEOUSHC-AWEZNQCLSA-N 1 0 384.318 2.952 20 0 GFADRO C[C@@H](CNC(=O)N1CC[N@H+](C)CC[C@H]1C)Oc1ccccc1Br ZINC000483983327 564580310 /nfs/dbraw/zinc/58/03/10/564580310.db2.gz RHIGFNHGMMNAJP-KGLIPLIRSA-N 1 0 384.318 2.952 20 0 GFADRO O=C(NCCNc1cc[nH+]cc1)N[C@@H]1CCOc2c(Br)cccc21 ZINC000548911275 564581230 /nfs/dbraw/zinc/58/12/30/564581230.db2.gz GMPITBGNLAQMIZ-OAHLLOKOSA-N 1 0 391.269 2.501 20 0 GFADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)Nc1cc(Cl)cc(Br)c1 ZINC000455968438 564582153 /nfs/dbraw/zinc/58/21/53/564582153.db2.gz JMNWKLAOWQISQY-LLVKDONJSA-N 1 0 389.725 2.860 20 0 GFADRO CCCC[N@H+](C)C[C@@H](C)NC(=O)c1ccc(I)cn1 ZINC000456034285 564584017 /nfs/dbraw/zinc/58/40/17/564584017.db2.gz DCSBGUFUCBOUFG-LLVKDONJSA-N 1 0 375.254 2.536 20 0 GFADRO CN(C)CC[N@H+](C)CCCNC(=O)[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000456059476 564585742 /nfs/dbraw/zinc/58/57/42/564585742.db2.gz YGXXLNWLBAIXBJ-DLBZAZTESA-N 1 0 382.346 2.552 20 0 GFADRO Fc1cccnc1N1CC[C@H]([NH2+]Cc2cn3ccc(Br)cc3n2)C1 ZINC000519672914 564585965 /nfs/dbraw/zinc/58/59/65/564585965.db2.gz NVJONLHWUVBFNI-ZDUSSCGKSA-N 1 0 390.260 2.999 20 0 GFADRO [NH3+]C[C@H]1CC[C@H](CNS(=O)(=O)Cc2cccc(Br)c2)CC1 ZINC000519658115 564586409 /nfs/dbraw/zinc/58/64/09/564586409.db2.gz YOGBJAZFYHZLHY-JOCQHMNTSA-N 1 0 375.332 2.634 20 0 GFADRO CC[NH+](CC)CCN(CCC(=O)NC(N)=O)Cc1ccc(Cl)c(Cl)c1 ZINC000484414164 564588484 /nfs/dbraw/zinc/58/84/84/564588484.db2.gz KETOGWASBZBGAH-UHFFFAOYSA-N 1 0 389.327 2.722 20 0 GFADRO CC[NH+](CC)CC[C@H](CO)NC(=O)c1cc(F)c(F)cc1Br ZINC000519788107 564590518 /nfs/dbraw/zinc/59/05/18/564590518.db2.gz YVPBPNHIWUYRSD-SNVBAGLBSA-N 1 0 379.245 2.550 20 0 GFADRO C[C@H](CCNS(=O)(=O)c1ccccc1)[NH2+]Cc1cncc(Br)c1 ZINC000549266077 564590598 /nfs/dbraw/zinc/59/05/98/564590598.db2.gz WMKHKZXPGCYVBY-CYBMUJFWSA-N 1 0 398.326 2.691 20 0 GFADRO C[C@]([NH3+])(C(=O)N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2)c1ccc(Br)cc1 ZINC000572365527 564591431 /nfs/dbraw/zinc/59/14/31/564591431.db2.gz WAYNGAKHMDGQQK-PNBKFKSVSA-N 1 0 379.298 2.697 20 0 GFADRO Cn1c(SCC(=O)NC(C)(C)CCC[NH+](C)C)nnc1-c1cccs1 ZINC000456174359 564591904 /nfs/dbraw/zinc/59/19/04/564591904.db2.gz SKHVXXYRFONGGD-UHFFFAOYSA-N 1 0 381.571 2.872 20 0 GFADRO COCC[C@H](Cc1cccc(Br)c1)C(=O)NC[C@@H](C)C[NH+](C)C ZINC000572370802 564591903 /nfs/dbraw/zinc/59/19/03/564591903.db2.gz ALZSBAAZZDSWAD-GDBMZVCRSA-N 1 0 385.346 2.958 20 0 GFADRO CS[C@@H]1CN(Cc2ccc(S(=O)(=O)C(C)C)cc2)C[C@H]1[NH+]1CCCC1 ZINC000484644792 564593470 /nfs/dbraw/zinc/59/34/70/564593470.db2.gz MJRCKRDGXYYQJY-RTBURBONSA-N 1 0 382.595 2.880 20 0 GFADRO CCO[C@@H]1COCC[C@@H]1[NH2+]CC(=O)Nc1ccc(Br)cc1Cl ZINC000484642037 564593511 /nfs/dbraw/zinc/59/35/11/564593511.db2.gz RDLNBHMROVFKMK-UONOGXRCSA-N 1 0 391.693 2.825 20 0 GFADRO CC[NH+]1CCC(CNC(=O)Nc2ccc(NS(C)(=O)=O)c(Cl)c2)CC1 ZINC000572449558 564594938 /nfs/dbraw/zinc/59/49/38/564594938.db2.gz XEINDLUNHGWYFM-UHFFFAOYSA-N 1 0 388.921 2.565 20 0 GFADRO Cc1cc(Br)c(C[N@@H+]2CCC[C@H]2C[C@@]2(C)NC(=O)NC2=O)s1 ZINC000572475064 564595827 /nfs/dbraw/zinc/59/58/27/564595827.db2.gz DFAYQOPMCYNBMB-ZUZCIYMTSA-N 1 0 386.315 2.772 20 0 GFADRO C[N@H+](CCNS(=O)(=O)c1ccccc1Br)C1CCCCC1 ZINC000520124634 564598159 /nfs/dbraw/zinc/59/81/59/564598159.db2.gz RPWVGVWWNSNAQH-UHFFFAOYSA-N 1 0 375.332 2.992 20 0 GFADRO C[N@@H+]1CCC[C@H](CNC(=O)c2cn(Cc3ccc(Cl)cc3Cl)nn2)C1 ZINC000572601054 564601522 /nfs/dbraw/zinc/60/15/22/564601522.db2.gz HWIBVTSVVJTFNL-GFCCVEGCSA-N 1 0 382.295 2.705 20 0 GFADRO Cc1ccc(S(=O)(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)cc1Br ZINC000572601600 564601805 /nfs/dbraw/zinc/60/18/05/564601805.db2.gz UWSSKZLKNOQUDM-CQSZACIVSA-N 1 0 387.343 2.768 20 0 GFADRO CS(=O)(=O)C[C@H]([NH2+][C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1)C1CC1 ZINC000572621868 564602253 /nfs/dbraw/zinc/60/22/53/564602253.db2.gz YGMZBFRFWOOPSQ-WBMJQRKESA-N 1 0 377.337 2.985 20 0 GFADRO CC[C@H](OC)C(=O)Nc1cc(Br)ccc1N1CC[N@H+](C)C[C@H]1C ZINC000456361229 564602842 /nfs/dbraw/zinc/60/28/42/564602842.db2.gz CLJVYTYIVBPJFM-WBMJQRKESA-N 1 0 384.318 2.953 20 0 GFADRO CC[C@H]1C[N@H+](CC)CCN1C(=O)c1cc(Br)cc(C(=O)OC)c1 ZINC000456371187 564603769 /nfs/dbraw/zinc/60/37/69/564603769.db2.gz GUCVBEPHACQURW-HNNXBMFYSA-N 1 0 383.286 2.792 20 0 GFADRO CC[C@H]1C[N@H+](CC)CCN1C(=O)[C@H]1CC(=O)Nc2ccc(Br)cc21 ZINC000456393304 564605880 /nfs/dbraw/zinc/60/58/80/564605880.db2.gz XVBFXIMCNCNZSZ-ZFWWWQNUSA-N 1 0 394.313 2.818 20 0 GFADRO Cc1sc2nc(CS[C@H](C)C(=O)N(C)C3CC([NH3+])C3)[nH]c(=O)c2c1C ZINC000572720182 564607177 /nfs/dbraw/zinc/60/71/77/564607177.db2.gz ITVNAAFOKNFYAI-VOMCLLRMSA-N 1 0 380.539 2.584 20 0 GFADRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(=O)NCc1ccc(Cl)cc1Cl ZINC000549907059 564607850 /nfs/dbraw/zinc/60/78/50/564607850.db2.gz HAMPXUBURXUYDE-HNNXBMFYSA-N 1 0 386.323 2.942 20 0 GFADRO CCOc1cc(C[NH2+]C[C@H]2CC(=O)N(C3CC3)C2)cc(Br)c1O ZINC000572728187 564608333 /nfs/dbraw/zinc/60/83/33/564608333.db2.gz CZXAGUURLPDJBJ-GFCCVEGCSA-N 1 0 383.286 2.654 20 0 GFADRO C[NH+](C)CCOC1CCN(C(=O)COc2cc(Cl)ccc2Cl)CC1 ZINC000485137488 564608496 /nfs/dbraw/zinc/60/84/96/564608496.db2.gz GBCQISXUHWZLEX-UHFFFAOYSA-N 1 0 375.296 2.941 20 0 GFADRO CC[C@H]1[NH2+]CC[C@H]1C(=O)NCc1cc(Cl)cc(I)c1 ZINC000572840209 564612641 /nfs/dbraw/zinc/61/26/41/564612641.db2.gz WSJCYCBHCNIYHR-CHWSQXEVSA-N 1 0 392.668 2.949 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)NCCSc2ccc(Cl)cc2)C1 ZINC000550098365 564614636 /nfs/dbraw/zinc/61/46/36/564614636.db2.gz RPQPUMNVPBDCKF-LSDHHAIUSA-N 1 0 383.945 2.537 20 0 GFADRO COC[C@@H](C)OC[C@H](O)C[NH2+]CCc1ccc(Br)cc1Cl ZINC000572992831 564617830 /nfs/dbraw/zinc/61/78/30/564617830.db2.gz BHIYJUGMRCPPTQ-BXUZGUMPSA-N 1 0 380.710 2.647 20 0 GFADRO O=C(Cc1csc(-c2ccc(Cl)s2)n1)NCC[NH+]1CCC(O)CC1 ZINC000456585607 564619078 /nfs/dbraw/zinc/61/90/78/564619078.db2.gz IYEIFKIMQYHQGE-UHFFFAOYSA-N 1 0 385.942 2.640 20 0 GFADRO CO[C@@H]1CCN(Cc2cc3c(cc2Br)OCCCO3)[C@H](C[NH3+])C1 ZINC000573121568 564623240 /nfs/dbraw/zinc/62/32/40/564623240.db2.gz KQOGCQIJLHXHGN-UONOGXRCSA-N 1 0 385.302 2.549 20 0 GFADRO O=C(NCc1cccc(Cl)c1Cl)C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000550417299 564623450 /nfs/dbraw/zinc/62/34/50/564623450.db2.gz GFBDGRMKMJALTM-UHFFFAOYSA-N 1 0 384.307 2.696 20 0 GFADRO COCCO[C@@H]1COCC[C@H]1[NH2+][C@@H](C)Cc1ccc(Br)cc1F ZINC000485694092 564623484 /nfs/dbraw/zinc/62/34/84/564623484.db2.gz JRPLXDPBDBCODR-JCURWCKSSA-N 1 0 390.293 2.929 20 0 GFADRO CC[NH+](CC)[C@H](CNC(=O)C(=O)N1CCSC(C)(C)C1)c1ccsc1 ZINC000550636033 564627898 /nfs/dbraw/zinc/62/78/98/564627898.db2.gz KKEZNLLXBLCTRJ-OAHLLOKOSA-N 1 0 383.583 2.601 20 0 GFADRO N[C@@H](C(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1)c1cscn1 ZINC000573203361 564628157 /nfs/dbraw/zinc/62/81/57/564628157.db2.gz BYJCQQZHOIRQDF-QGZVFWFLSA-N 1 0 378.929 2.825 20 0 GFADRO Cc1c(Br)cc(C[NH2+]C[C@]2(O)CCOC2)cc1Br ZINC000551245108 564643895 /nfs/dbraw/zinc/64/38/95/564643895.db2.gz SWZXJLBKOFVDDX-CYBMUJFWSA-N 1 0 379.092 2.761 20 0 GFADRO CCCC[N@H+](C)C[C@@H](C)NS(=O)(=O)Cc1cccc(Br)c1 ZINC000573289600 564630898 /nfs/dbraw/zinc/63/08/98/564630898.db2.gz BPENMOSFVWOSSV-CYBMUJFWSA-N 1 0 377.348 2.989 20 0 GFADRO C[C@H]1CCC[N@H+](CCNS(=O)(=O)Cc2cccc(Br)c2)C1 ZINC000550824636 564632242 /nfs/dbraw/zinc/63/22/42/564632242.db2.gz MVGNMHGLFRXUCF-ZDUSSCGKSA-N 1 0 375.332 2.600 20 0 GFADRO O[C@H](C[NH2+]CCn1cc(Br)cn1)CO[C@@H]1CCCc2ccccc21 ZINC000573359794 564634709 /nfs/dbraw/zinc/63/47/09/564634709.db2.gz JBMYBSIWMVYZKD-SJLPKXTDSA-N 1 0 394.313 2.690 20 0 GFADRO CC[N@H+](CCOc1ccc(S(=O)(=O)N(C)C)cc1)CCc1cccs1 ZINC000521818071 564636517 /nfs/dbraw/zinc/63/65/17/564636517.db2.gz KTRQPHKLVKKBDZ-UHFFFAOYSA-N 1 0 382.551 2.942 20 0 GFADRO C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)N(C)Cc1ccc(Cl)c(Cl)c1 ZINC000551073837 564637260 /nfs/dbraw/zinc/63/72/60/564637260.db2.gz KLHLERUPFJSXGN-ZDUSSCGKSA-N 1 0 386.323 2.942 20 0 GFADRO COCc1nocc1C(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000486066651 564637794 /nfs/dbraw/zinc/63/77/94/564637794.db2.gz VZRUMGBLIJXBRZ-UHFFFAOYSA-N 1 0 396.285 2.788 20 0 GFADRO O=S(=O)(CC[NH2+]CCc1cccc(C(F)(F)F)n1)c1ccc(F)cc1 ZINC000521864261 564637804 /nfs/dbraw/zinc/63/78/04/564637804.db2.gz UZGMMYNARDNTAT-UHFFFAOYSA-N 1 0 376.375 2.846 20 0 GFADRO O=C(NCc1c(Cl)cccc1Cl)C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000551111042 564638299 /nfs/dbraw/zinc/63/82/99/564638299.db2.gz CSMUSERVGJJSNN-UHFFFAOYSA-N 1 0 384.307 2.743 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C(=O)N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000521999071 564641372 /nfs/dbraw/zinc/64/13/72/564641372.db2.gz XSZMMERZHPLPFM-SMDDNHRTSA-N 1 0 377.286 2.814 20 0 GFADRO COCC(=O)N1CCC([NH2+]Cc2cc3cc(Br)ccc3o2)CC1 ZINC000522015133 564642327 /nfs/dbraw/zinc/64/23/27/564642327.db2.gz SINKJMSUPIQJOC-UHFFFAOYSA-N 1 0 381.270 2.922 20 0 GFADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@H]1C[C@@H]1c1cccc(Br)c1 ZINC000522101359 564644611 /nfs/dbraw/zinc/64/46/11/564644611.db2.gz CGQZLQZAPRNWEB-ZACQAIPSSA-N 1 0 396.329 2.715 20 0 GFADRO CN(C(=O)c1csc(NC2CC2)n1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457063208 564644933 /nfs/dbraw/zinc/64/49/33/564644933.db2.gz BOVPNZHKHQXUDF-UHFFFAOYSA-N 1 0 376.448 3.206 20 0 GFADRO C[C@H](C(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1)N(C)CC(F)(F)F ZINC000457075570 564644979 /nfs/dbraw/zinc/64/49/79/564644979.db2.gz WJTWMOYPBVILII-LLVKDONJSA-N 1 0 377.373 2.744 20 0 GFADRO CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC000522146705 564645649 /nfs/dbraw/zinc/64/56/49/564645649.db2.gz URMOEDXREXETAK-SNVBAGLBSA-N 1 0 377.794 2.707 20 0 GFADRO Cc1nc2ccc(Br)cn2c1C(=O)N(C)[C@H]1CC[N@@H+](C(C)C)C1 ZINC000457096622 564646682 /nfs/dbraw/zinc/64/66/82/564646682.db2.gz RCNYIGBDQNRFKZ-AWEZNQCLSA-N 1 0 379.302 2.960 20 0 GFADRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)Cc2ccc(I)cc2)C1 ZINC000457090205 564646848 /nfs/dbraw/zinc/64/68/48/564646848.db2.gz LUTSJEHVIXYQQA-OAHLLOKOSA-N 1 0 386.277 2.775 20 0 GFADRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1cc(I)c[nH]1 ZINC000522364975 564650233 /nfs/dbraw/zinc/65/02/33/564650233.db2.gz GZPSRJQEJLNACI-UTUOFQBUSA-N 1 0 389.281 2.716 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)c1cc(I)c[nH]1)c1ccsc1 ZINC000522321750 564650307 /nfs/dbraw/zinc/65/03/07/564650307.db2.gz IOZBZMWKUKOGNG-LBPRGKRZSA-N 1 0 389.262 2.714 20 0 GFADRO COC(=O)CN(CCc1ccc(Cl)cc1Cl)C(=O)[C@@H]1C[N@H+](C)C[C@H]1C ZINC000486387708 564650411 /nfs/dbraw/zinc/65/04/11/564650411.db2.gz OUKNFACYHBXXKY-IUODEOHRSA-N 1 0 387.307 2.735 20 0 GFADRO C[C@H](CC[NH+](C)C)NC(=O)NC[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000522405165 564650891 /nfs/dbraw/zinc/65/08/91/564650891.db2.gz GWYWPQMSGNPZGJ-CABCVRRESA-N 1 0 397.361 2.915 20 0 GFADRO Cc1cc(S(=O)(=O)N(C)[C@H]2CC[N@@H+](C3CC3)C2)c(C)cc1Br ZINC000522628699 564653602 /nfs/dbraw/zinc/65/36/02/564653602.db2.gz YOBVEWOAMHGZPB-AWEZNQCLSA-N 1 0 387.343 2.923 20 0 GFADRO C[C@@H]1CC[N@H+](CCNC(=O)c2ccn(-c3ccc(Br)cc3)n2)C1 ZINC000551623268 564658075 /nfs/dbraw/zinc/65/80/75/564658075.db2.gz ZKWKHENVIZOWRP-CYBMUJFWSA-N 1 0 377.286 2.706 20 0 GFADRO CCOc1cc(C[NH2+][C@H]2CCCS(=O)(=O)C2)ccc1OCC(F)(F)F ZINC000522890925 564658493 /nfs/dbraw/zinc/65/84/93/564658493.db2.gz CIQIBASIJJMQDW-ZDUSSCGKSA-N 1 0 381.416 2.693 20 0 GFADRO C[C@@H](CNC(=O)N1CC[NH+]2CCC1CC2)Oc1ccc(Br)cc1 ZINC000551648219 564658826 /nfs/dbraw/zinc/65/88/26/564658826.db2.gz FYGXJNWAPMJACI-ZDUSSCGKSA-N 1 0 382.302 2.706 20 0 GFADRO C[C@H](NC(=O)NC[C@H]1CCCC[N@@H+]1CCO)c1ccccc1Br ZINC000457458042 564662756 /nfs/dbraw/zinc/66/27/56/564662756.db2.gz LWMDUTICMUDCMK-UONOGXRCSA-N 1 0 384.318 2.656 20 0 GFADRO C[C@@H](NC(=O)NC[C@H]1CCC[N@@H+]1CCCO)c1ccccc1Br ZINC000457457239 564662777 /nfs/dbraw/zinc/66/27/77/564662777.db2.gz LHRTWTYNPFJIFN-ZIAGYGMSSA-N 1 0 384.318 2.656 20 0 GFADRO C[N@@H+]1CC[C@@H]2CCN(S(=O)(=O)c3cc(Br)ccc3Cl)[C@H]2C1 ZINC000486697250 564663357 /nfs/dbraw/zinc/66/33/57/564663357.db2.gz NQGZAZSYQBMIBD-MFKMUULPSA-N 1 0 393.734 2.817 20 0 GFADRO CCCS(=O)(=O)N1CCC([NH2+][C@H](C)c2cnc(OC)c(Cl)c2)CC1 ZINC000551792949 564663623 /nfs/dbraw/zinc/66/36/23/564663623.db2.gz UABFKHGWVHQEOE-GFCCVEGCSA-N 1 0 375.922 2.598 20 0 GFADRO C[NH+]1CCN(c2ccc(Br)cc2NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)CC1 ZINC000457504683 564663649 /nfs/dbraw/zinc/66/36/49/564663649.db2.gz NPNHHMZTCSOVMA-CPUCHLNUSA-N 1 0 394.313 2.707 20 0 GFADRO CC[N@@H+]1CCC[C@H](NC(=O)c2cn(Cc3ccc(Cl)cc3Cl)nn2)C1 ZINC000457537291 564664519 /nfs/dbraw/zinc/66/45/19/564664519.db2.gz DXQQMPQVVXSTFX-AWEZNQCLSA-N 1 0 382.295 2.847 20 0 GFADRO CN(CC[NH+]1CCCC1)C(=O)c1cn(Cc2ccc(Cl)cc2Cl)nn1 ZINC000457535058 564664785 /nfs/dbraw/zinc/66/47/85/564664785.db2.gz SVAUWINZXQTRCF-UHFFFAOYSA-N 1 0 382.295 2.801 20 0 GFADRO C[C@@H]([NH2+]C[C@@H]1CC(=O)N(C)[C@H]1c1nccn1C)c1ncc(Br)s1 ZINC000551817119 564665060 /nfs/dbraw/zinc/66/50/60/564665060.db2.gz FXSWRZZKZWPVMR-GBIKHYSHSA-N 1 0 398.330 2.509 20 0 GFADRO Cc1cc(Br)ccc1SCC(=O)NCCN1CCO[C@H](C)C1 ZINC000523435450 564667119 /nfs/dbraw/zinc/66/71/19/564667119.db2.gz HGTBIBKUQFWYLP-CYBMUJFWSA-N 1 0 387.343 2.687 20 0 GFADRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)NCc2n[nH]cc2Br)C1 ZINC000523432103 564667349 /nfs/dbraw/zinc/66/73/49/564667349.db2.gz BKPXRMRUQQWUJW-KBPBESRZSA-N 1 0 398.349 2.968 20 0 GFADRO C[C@@H](NC(=O)NC[C@H]1CCCC[N@@H+]1CCO)c1cccc(Br)c1 ZINC000457690914 564668970 /nfs/dbraw/zinc/66/89/70/564668970.db2.gz XPCQPPRPPRCZBV-CZUORRHYSA-N 1 0 384.318 2.656 20 0 GFADRO O=C1CCCN1[C@@H]1CCC[N@@H+](C[C@@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000523583143 564669964 /nfs/dbraw/zinc/66/99/64/564669964.db2.gz WMCDOGYEBHQSKS-HUUCEWRRSA-N 1 0 387.307 2.820 20 0 GFADRO CN(CC[N@H+](C)C1CC1)C(=O)c1cn(Cc2ccc(Cl)cc2Cl)nn1 ZINC000457751039 564671188 /nfs/dbraw/zinc/67/11/88/564671188.db2.gz SEXLGQYGIYGXDD-UHFFFAOYSA-N 1 0 382.295 2.799 20 0 GFADRO CC[NH+](CC)CC1CCN(C(=O)c2cc(I)c[nH]2)CC1 ZINC000523742575 564672855 /nfs/dbraw/zinc/67/28/55/564672855.db2.gz HBXHDINRROQJRA-UHFFFAOYSA-N 1 0 389.281 2.813 20 0 GFADRO CC1CC[NH+](C[C@@H](O)CNC(=O)COc2c(Cl)cccc2Cl)CC1 ZINC000523870647 564673482 /nfs/dbraw/zinc/67/34/82/564673482.db2.gz DYENKZHBJSFPQK-ZDUSSCGKSA-N 1 0 375.296 2.581 20 0 GFADRO CC[C@@H](NC(=O)NC[C@](C)(O)C[NH+](C)C)c1cc(F)cc(Br)c1 ZINC000487068683 564674705 /nfs/dbraw/zinc/67/47/05/564674705.db2.gz QYQIPLHYFUIELW-ZBFHGGJFSA-N 1 0 390.297 2.651 20 0 GFADRO CC[N@H+](C)Cc1cccc(CNC(=O)NCc2n[nH]cc2Br)c1 ZINC000524135765 564676955 /nfs/dbraw/zinc/67/69/55/564676955.db2.gz QWZJQKVUQQXOQA-UHFFFAOYSA-N 1 0 380.290 2.623 20 0 GFADRO CC(=O)c1cc(Br)ccc1OCC(=O)N(CC[NH+](C)C)C(C)C ZINC000552118731 564677921 /nfs/dbraw/zinc/67/79/21/564677921.db2.gz UDYJJWIWGAXGSV-UHFFFAOYSA-N 1 0 385.302 2.829 20 0 GFADRO OC[C@]1([C@@H]([NH2+]Cc2cc(Br)cc3c2OCC3)C2CC2)CCCO1 ZINC000552147101 564679004 /nfs/dbraw/zinc/67/90/04/564679004.db2.gz LTZVRYZBJNTQGW-ROUUACIJSA-N 1 0 382.298 2.794 20 0 GFADRO C[C@@H](C(=O)N1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1)N1CCSCC1 ZINC000457924577 564679599 /nfs/dbraw/zinc/67/95/99/564679599.db2.gz KVXOJSIYYQLOKJ-UONOGXRCSA-N 1 0 380.476 2.631 20 0 GFADRO C[C@H](C(=O)N1CC[C@H](C(F)(F)F)C2(CCOCC2)C1)N1CCSCC1 ZINC000457924576 564679697 /nfs/dbraw/zinc/67/96/97/564679697.db2.gz KVXOJSIYYQLOKJ-KGLIPLIRSA-N 1 0 380.476 2.631 20 0 GFADRO C[C@H](CNC(=O)[C@@H](c1ccc(Br)cc1)N1CCCC1)C[NH+](C)C ZINC000552239850 564682672 /nfs/dbraw/zinc/68/26/72/564682672.db2.gz VTCIVRFSDKTLNT-RHSMWYFYSA-N 1 0 382.346 2.900 20 0 GFADRO C[C@@H](Cc1cccc(Br)c1)NC(=O)NC[C@@H]1CCCC[N@@H+]1CCO ZINC000457994458 564683313 /nfs/dbraw/zinc/68/33/13/564683313.db2.gz LKEUOJRWVILCJF-YOEHRIQHSA-N 1 0 398.345 2.526 20 0 GFADRO CC[NH+](CC)C[C@@H](C)NC(=O)NCc1nc2c(cccc2Br)[nH]1 ZINC000458023404 564684108 /nfs/dbraw/zinc/68/41/08/564684108.db2.gz VLGMVPAXNQBFRH-LLVKDONJSA-N 1 0 382.306 2.855 20 0 GFADRO Cc1c(Br)cccc1NCC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000487359127 564684730 /nfs/dbraw/zinc/68/47/30/564684730.db2.gz DCKCURGCICTGSE-OAHLLOKOSA-N 1 0 398.345 2.642 20 0 GFADRO Cc1nc(S(=O)(=O)[N-]C[C@@H](C)N2CCCC[C@@H]2C)sc1Br ZINC000574711685 564685386 /nfs/dbraw/zinc/68/53/86/564685386.db2.gz FXQBSWAJWLBAGD-VHSXEESVSA-N 1 0 396.376 2.755 20 0 GFADRO CCCC[N@H+](C)C[C@@H](C)NC(=O)Nc1ccc(Cl)c(S(C)(=O)=O)c1 ZINC000574697951 564685779 /nfs/dbraw/zinc/68/57/79/564685779.db2.gz FEPZZEVWJNSLFQ-GFCCVEGCSA-N 1 0 375.922 2.985 20 0 GFADRO C[C@@H]1CC[N@H+](CCNC(=O)C2(c3ccc(Br)cc3)CCOCC2)C1 ZINC000524720310 564686586 /nfs/dbraw/zinc/68/65/86/564686586.db2.gz JBQLKTRIRUODGP-OAHLLOKOSA-N 1 0 395.341 2.955 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2ccc(Br)cc2)C[C@@H]1C ZINC000524869976 564688993 /nfs/dbraw/zinc/68/89/93/564688993.db2.gz HRSLPGJUJSPFPZ-GXTWGEPZSA-N 1 0 375.332 2.942 20 0 GFADRO C[C@@H]1CN(C(=O)c2cscc2Br)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000552404972 564690109 /nfs/dbraw/zinc/69/01/09/564690109.db2.gz UOMGJWBBAFTVCJ-DOMZBBRYSA-N 1 0 386.359 2.609 20 0 GFADRO C[N@@H+]1CCC[C@H](CCNC(=O)c2csc(I)c2)C1 ZINC000458178814 564692669 /nfs/dbraw/zinc/69/26/69/564692669.db2.gz WWPYUJGRMYUDHI-SNVBAGLBSA-N 1 0 378.279 2.814 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)NC(C)(C)C[NH+](C)C ZINC000458199220 564693701 /nfs/dbraw/zinc/69/37/01/564693701.db2.gz QNIXMEHIPMNEGR-UHFFFAOYSA-N 1 0 399.333 2.726 20 0 GFADRO C[C@H]1C[N@H+](CCC[NH2+]C[C@@H](O)COc2c(Cl)cccc2Cl)CCCO1 ZINC000575252868 564695207 /nfs/dbraw/zinc/69/52/07/564695207.db2.gz PUXPTCOIQJBNLU-LSDHHAIUSA-N 1 0 391.339 2.824 20 0 GFADRO CC[NH+](CC)CCOC1CCN(C(=O)c2nc(SC)ncc2Cl)CC1 ZINC000525287399 564697120 /nfs/dbraw/zinc/69/71/20/564697120.db2.gz QVWUVWHTEFALLW-UHFFFAOYSA-N 1 0 386.949 2.815 20 0 GFADRO O=C(NC[C@H]1CCC[N@H+]1CCCO)N[C@H]1CCc2c1cccc2Br ZINC000458285436 564697424 /nfs/dbraw/zinc/69/74/24/564697424.db2.gz SFVIRHCAEFKDKH-DYVFJYSZSA-N 1 0 396.329 2.582 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CNC(=O)NCc1cc(Br)c2c(c1)OCCO2 ZINC000525298915 564698270 /nfs/dbraw/zinc/69/82/70/564698270.db2.gz JTKNDLHSKBYPGI-ZDUSSCGKSA-N 1 0 398.301 2.504 20 0 GFADRO C[C@@H](CNC(=O)NC[C@H]1CCC[N@H+](C)C1)Oc1cccc(Br)c1 ZINC000525305444 564698495 /nfs/dbraw/zinc/69/84/95/564698495.db2.gz BDTUBIVKBLMTPU-UONOGXRCSA-N 1 0 384.318 2.857 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)NCc2nc3c(cccc3Br)[nH]2)CC[N@@H+]1C ZINC000458429462 564701654 /nfs/dbraw/zinc/70/16/54/564701654.db2.gz HAAKSXSQOHSSSA-MNOVXSKESA-N 1 0 380.290 2.607 20 0 GFADRO Cc1nc(CC[NH2+]C[C@H](O)COc2cc(F)cc(Br)c2)c(C)o1 ZINC000575742506 564703194 /nfs/dbraw/zinc/70/31/94/564703194.db2.gz IHPMOASWGSINTK-AWEZNQCLSA-N 1 0 387.249 2.765 20 0 GFADRO O=C(NC[C@H]1CCC[N@H+]1CCCO)N[C@@H]1COc2c1ccc(Cl)c2Cl ZINC000458471254 564703497 /nfs/dbraw/zinc/70/34/97/564703497.db2.gz SKMXZEOATLZOCB-BXUZGUMPSA-N 1 0 388.295 2.573 20 0 GFADRO C[C@H]1CC[N@H+](CCNC(=O)[C@@H]2CC(=O)N(c3cc(Cl)cc(Cl)c3)C2)C1 ZINC000525805341 564709088 /nfs/dbraw/zinc/70/90/88/564709088.db2.gz SINGFYCHAWDZQA-QWHCGFSZSA-N 1 0 384.307 2.804 20 0 GFADRO C[C@@H]1CC[N@H+](CCNC(=O)[C@]23CCC(=O)N2c2cc(Cl)ccc2S3)C1 ZINC000525805106 564709261 /nfs/dbraw/zinc/70/92/61/564709261.db2.gz PHPLKTJQPNAPFO-KZULUSFZSA-N 1 0 379.913 2.727 20 0 GFADRO COc1ccc(Br)c(CNC(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)c1 ZINC000488399653 564710741 /nfs/dbraw/zinc/71/07/41/564710741.db2.gz QRUTWTVQPRABPM-QGZVFWFLSA-N 1 0 382.302 2.695 20 0 GFADRO Cc1nn(C)c(C)c1C[C@H](C)[NH2+]C[C@H](O)COc1ccc(Br)cc1 ZINC000576271727 564710730 /nfs/dbraw/zinc/71/07/30/564710730.db2.gz JBXSKBASOLSRAR-LRDDRELGSA-N 1 0 396.329 2.760 20 0 GFADRO O=C(NCC[C@H]1CCC[NH2+]C1)N[C@@H](c1cncc(Br)c1)C1CC1 ZINC000576451075 564713584 /nfs/dbraw/zinc/71/35/84/564713584.db2.gz NFFCDJGJZINDPB-MLGOLLRUSA-N 1 0 381.318 2.984 20 0 GFADRO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]Cc1ccc2cnn(C)c2c1 ZINC000576607176 564716575 /nfs/dbraw/zinc/71/65/75/564716575.db2.gz IJVFUQXYZYFXIN-LBPRGKRZSA-N 1 0 375.270 2.676 20 0 GFADRO OCC1([NH2+]CC2CC2)CCN(Cc2cc3c(cc2Br)OCO3)CC1 ZINC000576758655 564718362 /nfs/dbraw/zinc/71/83/62/564718362.db2.gz BIVHWXQRFZPZBT-UHFFFAOYSA-N 1 0 397.313 2.504 20 0 GFADRO O=C(CCNc1ncc(C(F)(F)F)cc1Cl)N[C@H]1C[NH2+]CCC1(F)F ZINC000576754676 564718489 /nfs/dbraw/zinc/71/84/89/564718489.db2.gz XMWJRONMCFKOKZ-JTQLQIEISA-N 1 0 386.752 2.669 20 0 GFADRO Cc1nccc(NC(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)c1Br ZINC000526097887 564719738 /nfs/dbraw/zinc/71/97/38/564719738.db2.gz YHCLPACEVBPSLT-AWEZNQCLSA-N 1 0 381.318 2.770 20 0 GFADRO CC[N@@H+]1C[C@H](C)N(C(=O)Cc2ccc(I)cc2)C[C@H]1C ZINC000488784959 564720204 /nfs/dbraw/zinc/72/02/04/564720204.db2.gz MISVYMWPLPVPOY-OLZOCXBDSA-N 1 0 386.277 2.775 20 0 GFADRO O=S(=O)(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1cc(Br)c(F)cc1F ZINC000488850042 564722758 /nfs/dbraw/zinc/72/27/58/564722758.db2.gz FQJNOLVJKVMEBB-OLZOCXBDSA-N 1 0 395.269 2.632 20 0 GFADRO COCC[N@@H+]1CC[C@H](NC(=O)N2CCc3c(Br)cc(C)cc3C2)C1 ZINC000488957883 564725484 /nfs/dbraw/zinc/72/54/84/564725484.db2.gz VVEKIYICJJJXLY-HNNXBMFYSA-N 1 0 396.329 2.546 20 0 GFADRO O=C(NC/C=C/c1ccc(Br)cc1)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000458958409 564725795 /nfs/dbraw/zinc/72/57/95/564725795.db2.gz AIWYFILILWZSDN-NZURWCHMSA-N 1 0 396.329 2.608 20 0 GFADRO O=C(NC/C=C/c1ccc(Br)cc1)NC[C@H](O)C[NH+]1CCCCC1 ZINC000458965395 564726736 /nfs/dbraw/zinc/72/67/36/564726736.db2.gz GASNOWWKVFKJEC-BDUNBXCCSA-N 1 0 396.329 2.608 20 0 GFADRO C[C@@H](CNS(=O)(=O)c1cccc(OC(F)(F)F)c1F)C[NH+]1CCCC1 ZINC000489101623 564729306 /nfs/dbraw/zinc/72/93/06/564729306.db2.gz KRFVSHJWINLXHR-NSHDSACASA-N 1 0 384.395 2.735 20 0 GFADRO C[C@@H](CNC(=O)C1(c2ccc(I)cc2)CC1)C[NH+](C)C ZINC000577210097 564729409 /nfs/dbraw/zinc/72/94/09/564729409.db2.gz MLAPIPQWWMERGC-LBPRGKRZSA-N 1 0 386.277 2.637 20 0 GFADRO Cc1nc(NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)sc1SCC(N)=O ZINC000577261099 564731376 /nfs/dbraw/zinc/73/13/76/564731376.db2.gz OILCWPRAUAVRLZ-CYBMUJFWSA-N 1 0 382.555 2.765 20 0 GFADRO C[N@H+](CCCCNC(=O)NCc1nc2c(cccc2Br)[nH]1)C1CC1 ZINC000459152708 564733636 /nfs/dbraw/zinc/73/36/36/564733636.db2.gz WTEQCJKUTJPQOD-UHFFFAOYSA-N 1 0 394.317 2.999 20 0 GFADRO CC[NH+]1CCC(CNC(=O)C(=O)Nc2cc(C)ccc2Br)CC1 ZINC000577304255 564733711 /nfs/dbraw/zinc/73/37/11/564733711.db2.gz YPKGRYMLJRVVKC-UHFFFAOYSA-N 1 0 382.302 2.544 20 0 GFADRO O=C(C1CC[NH+]([C@@H]2CCSC2)CC1)N1CCSC[C@H]1c1nccs1 ZINC000577529894 564736540 /nfs/dbraw/zinc/73/65/40/564736540.db2.gz ZZTHDEMGKUKALW-CABCVRRESA-N 1 0 383.608 2.977 20 0 GFADRO CC[C@H](CNC(=O)[C@@H]1C[N@@H+]2CCN1CCC2)Cc1cccc(Br)c1 ZINC000489354093 564737027 /nfs/dbraw/zinc/73/70/27/564737027.db2.gz HMKKZPNLAFNFHJ-YJBOKZPZSA-N 1 0 394.357 2.524 20 0 GFADRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NCc1nc2c(cccc2Br)[nH]1 ZINC000459225677 564737167 /nfs/dbraw/zinc/73/71/67/564737167.db2.gz XUIYMNIFLPMSDE-FZMZJTMJSA-N 1 0 394.317 2.807 20 0 GFADRO CC(C)(C)[C@H](CO)[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000578140860 564741272 /nfs/dbraw/zinc/74/12/72/564741272.db2.gz BAZYMEIMRRVEMH-RISCZKNCSA-N 1 0 380.710 2.839 20 0 GFADRO CN(CC1([NH+](C)C)CCC1)C(=O)c1cccc(F)c1I ZINC000527363914 564741729 /nfs/dbraw/zinc/74/17/29/564741729.db2.gz GDALEAXIUZWYTI-UHFFFAOYSA-N 1 0 390.240 2.987 20 0 GFADRO COC(=O)CC1([NH2+]CC(=O)N[C@H](C)c2ccc(Br)cc2)CCC1 ZINC000459391137 564742880 /nfs/dbraw/zinc/74/28/80/564742880.db2.gz CCLMBIATJUTORO-GFCCVEGCSA-N 1 0 383.286 2.702 20 0 GFADRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1S(=O)(=O)c1cc(F)ccc1Br ZINC000553892778 564743463 /nfs/dbraw/zinc/74/34/63/564743463.db2.gz DDZNMGRBMMKBFO-BXUZGUMPSA-N 1 0 391.306 2.836 20 0 GFADRO C[C@H]1NC(=O)N(CC[NH2+][C@H](c2cc(F)cc(Br)c2)C2CC2)C1=O ZINC000459402953 564744187 /nfs/dbraw/zinc/74/41/87/564744187.db2.gz GFSDUZQFQRJGKD-OTYXRUKQSA-N 1 0 384.249 2.569 20 0 GFADRO CC[C@@H]1Cc2c(Br)cccc2CN1CCN1C(=O)N[C@@H](C)C1=O ZINC000459432578 564745213 /nfs/dbraw/zinc/74/52/13/564745213.db2.gz SAULUPCHORACAY-WCQYABFASA-N 1 0 380.286 2.526 20 0 GFADRO CC(C)[C@@](C)([NH2+]CCCOc1cccc(I)c1)C(N)=O ZINC000459473112 564746225 /nfs/dbraw/zinc/74/62/25/564746225.db2.gz DHZNWJQZIGSWBV-OAHLLOKOSA-N 1 0 390.265 2.550 20 0 GFADRO Cc1cc(CN2C(=O)N[C@]3(CCCC[C@H]3C[NH3+])C2=O)ccc1Br ZINC000579349439 564747125 /nfs/dbraw/zinc/74/71/25/564747125.db2.gz KIFIKDWGGFAQRJ-GUYCJALGSA-N 1 0 380.286 2.697 20 0 GFADRO C[C@@H]1NC(=O)N(CC[N@@H+]2CCCC[C@@H]2Cc2ccccc2Br)C1=O ZINC000459492503 564747182 /nfs/dbraw/zinc/74/71/82/564747182.db2.gz WRXFOMSMQYXRDF-DZGCQCFKSA-N 1 0 394.313 2.786 20 0 GFADRO CCn1nncc1C[N@@H+]1CC[C@@H](Cc2cccc(I)c2)C1 ZINC000459489610 564747365 /nfs/dbraw/zinc/74/73/65/564747365.db2.gz REIMJEFWKHDHAA-AWEZNQCLSA-N 1 0 396.276 2.967 20 0 GFADRO O=C(N[C@@H]1C[NH2+]CCC1(F)F)N1CCc2ccc(F)c(Br)c2C1 ZINC000527593663 564748777 /nfs/dbraw/zinc/74/87/77/564748777.db2.gz KNMYAMUNIMXHJX-GFCCVEGCSA-N 1 0 392.219 2.653 20 0 GFADRO C[N@@H+]1CCC[C@H](CNC(=O)N2CCSC[C@@H]2CCO)[C@@H]1c1cccs1 ZINC000579626406 564748942 /nfs/dbraw/zinc/74/89/42/564748942.db2.gz WWCYAYNMBRLSJE-HLLBOEOZSA-N 1 0 383.583 2.640 20 0 GFADRO C[C@H](Cc1c(Cl)cccc1Cl)[NH2+][C@@H]1CCCN(S(=O)(=O)N(C)C)C1 ZINC000554089310 564750590 /nfs/dbraw/zinc/75/05/90/564750590.db2.gz DAAKKPHFKIMBPK-CHWSQXEVSA-N 1 0 394.368 2.785 20 0 GFADRO NS(=O)(=O)c1ccc(NC[C@@H]2CCCC[N@@H+]2C2CC2)cc1C(F)(F)F ZINC000579667702 564751189 /nfs/dbraw/zinc/75/11/89/564751189.db2.gz NWFZUGXXWTXFKO-ZDUSSCGKSA-N 1 0 377.432 2.782 20 0 GFADRO O=S(=O)(Cc1ccccc1)N1CCC([NH2+]Cc2ccncc2Cl)CC1 ZINC000527662941 564754187 /nfs/dbraw/zinc/75/41/87/564754187.db2.gz UVBALZHLFKQPHZ-UHFFFAOYSA-N 1 0 379.913 2.819 20 0 GFADRO CC(C)Oc1cc(Cl)c(C[NH2+]C[C@](C)(O)CN2CCOCC2)cc1Cl ZINC000527665730 564754252 /nfs/dbraw/zinc/75/42/52/564754252.db2.gz JUQHHJYTCPEQBE-SFHVURJKSA-N 1 0 391.339 2.953 20 0 GFADRO Cn1ncc(Cl)c1C[NH2+]C[C@@H](CO)Cc1cc(F)cc(Br)c1 ZINC000459684413 564756364 /nfs/dbraw/zinc/75/63/64/564756364.db2.gz AAGSJLWLLZLXKB-NSHDSACASA-N 1 0 390.684 2.916 20 0 GFADRO COc1cc(C[NH2+][C@H]2CCC[C@H]2CNS(C)(=O)=O)cc(C(F)(F)F)c1 ZINC000527703566 564756582 /nfs/dbraw/zinc/75/65/82/564756582.db2.gz KINKVPASOCHXCN-WFASDCNBSA-N 1 0 380.432 2.522 20 0 GFADRO COC(=O)CN(C)C(=O)CC[N@H+](Cc1cccc(Br)c1)C(C)C ZINC000554347676 564757718 /nfs/dbraw/zinc/75/77/18/564757718.db2.gz YTLSVWRBRFRJGF-UHFFFAOYSA-N 1 0 385.302 2.681 20 0 GFADRO COC(=O)c1ccc(C[NH2+]C[C@@H](CO)Cc2cc(F)cc(Br)c2)[nH]1 ZINC000459712273 564759068 /nfs/dbraw/zinc/75/90/68/564759068.db2.gz WFHAPFOGOWXCGX-LBPRGKRZSA-N 1 0 399.260 2.644 20 0 GFADRO Cc1cc(Br)cc(C[NH2+]C[C@@H](O)[C@H]2CCCO2)c1OC(F)F ZINC000527757189 564759204 /nfs/dbraw/zinc/75/92/04/564759204.db2.gz IOPFKACKYULROW-CHWSQXEVSA-N 1 0 380.229 2.988 20 0 GFADRO O[C@H](C[NH2+]Cc1ccc(Br)c(Br)c1)[C@H]1CCCO1 ZINC000527758076 564759326 /nfs/dbraw/zinc/75/93/26/564759326.db2.gz MBFMGDMVPYJHAD-CHWSQXEVSA-N 1 0 379.092 2.841 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH2+]C[C@@H](O)[C@H]1CCCO1 ZINC000527760930 564760681 /nfs/dbraw/zinc/76/06/81/564760681.db2.gz UFGQBJHNLIGSES-QZTJIDSGSA-N 1 0 394.313 2.881 20 0 GFADRO OC[C@@]1([NH2+]Cc2cnc3ccc(Br)cn23)COc2ccccc2C1 ZINC000527768511 564760688 /nfs/dbraw/zinc/76/06/88/564760688.db2.gz BQGNJJDVISHNHY-GOSISDBHSA-N 1 0 388.265 2.553 20 0 GFADRO O=C(C[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000459765989 564760969 /nfs/dbraw/zinc/76/09/69/564760969.db2.gz DLZHTTBUOCEWHL-IVMMDQJWSA-N 1 0 383.323 2.815 20 0 GFADRO O=C1Nc2ccccc2C[C@@H]1[NH2+]Cc1cc(Br)c2c(c1)OCCO2 ZINC000527797817 564761415 /nfs/dbraw/zinc/76/14/15/564761415.db2.gz FCIGCBJQVOQRFD-HNNXBMFYSA-N 1 0 389.249 2.873 20 0 GFADRO C[C@H](CNC(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)Oc1cccc(Br)c1 ZINC000580532264 564763343 /nfs/dbraw/zinc/76/33/43/564763343.db2.gz CXMUKRBGAWNZTN-ORIJERBGSA-N 1 0 396.329 2.904 20 0 GFADRO O=C(NC[C@@H]1[NH2+]CCc2ccccc21)[C@@H]1COc2ccc(Br)cc21 ZINC000580542709 564763376 /nfs/dbraw/zinc/76/33/76/564763376.db2.gz PIKHGBKERUVEAV-SJORKVTESA-N 1 0 387.277 2.928 20 0 GFADRO CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000459861096 564763493 /nfs/dbraw/zinc/76/34/93/564763493.db2.gz VAWOQNUITVRWOY-AWEZNQCLSA-N 1 0 383.945 2.837 20 0 GFADRO C[C@@H]([NH2+]C[C@]1(CO)COCC2(CCC2)N1C)c1cccc(Br)c1 ZINC000527943918 564765159 /nfs/dbraw/zinc/76/51/59/564765159.db2.gz CAHNKMKBRMXTBD-KDOFPFPSSA-N 1 0 383.330 2.716 20 0 GFADRO O=C(NCc1cc(F)c(Br)cc1F)N[C@@H]1CCc2[nH]cnc2C1 ZINC000527954244 564765304 /nfs/dbraw/zinc/76/53/04/564765304.db2.gz SKRBLLZZBHVBJU-SECBINFHSA-N 1 0 385.212 2.807 20 0 GFADRO O=C(NCC[NH+]1CCC1)NCc1ccc(Br)cc1C(F)(F)F ZINC000490225220 564766139 /nfs/dbraw/zinc/76/61/39/564766139.db2.gz QKYDWQKXRKSXPJ-UHFFFAOYSA-N 1 0 380.208 2.973 20 0 GFADRO CC[NH+]1CCC(CNC(=O)NCCNc2cccc(Br)c2)CC1 ZINC000554587040 564767337 /nfs/dbraw/zinc/76/73/37/564767337.db2.gz IWQPUAYNIQETRV-UHFFFAOYSA-N 1 0 383.334 2.892 20 0 GFADRO Cc1cccc(CC(=O)N2CCC(C[NH+]3CCOCC3)CC2)c1Br ZINC000528008883 564767516 /nfs/dbraw/zinc/76/75/16/564767516.db2.gz JSEMCMBYSPGHAX-UHFFFAOYSA-N 1 0 395.341 2.871 20 0 GFADRO O=S(=O)(N[C@H]1CC[NH2+]C12CCC2)c1cccc(Br)c1Cl ZINC000528051447 564768013 /nfs/dbraw/zinc/76/80/13/564768013.db2.gz KLEKWZUOBQVBGQ-NSHDSACASA-N 1 0 379.707 2.665 20 0 GFADRO CC(C)[C@H]1C[NH2+]CCN1S(=O)(=O)c1cccc(Br)c1Cl ZINC000528048659 564768018 /nfs/dbraw/zinc/76/80/18/564768018.db2.gz LFTBNLQMKNBFGR-LLVKDONJSA-N 1 0 381.723 2.721 20 0 GFADRO CC(C)[C@H]1CN(C(=O)c2c(F)cccc2I)CC[N@@H+]1C ZINC000490310535 564768272 /nfs/dbraw/zinc/76/82/72/564768272.db2.gz MCEPZFKHJKXNJL-CYBMUJFWSA-N 1 0 390.240 2.843 20 0 GFADRO O=S(=O)(NCC[NH2+][C@H]1CC[C@H](c2ccc(Cl)cc2)C1)c1cccnc1 ZINC000580695005 564769221 /nfs/dbraw/zinc/76/92/21/564769221.db2.gz GCPNFBYEXAHIRW-RDJZCZTQSA-N 1 0 379.913 2.939 20 0 GFADRO C[C@@H](CC[NH+](C)C)NC(=O)CSc1nnc(-c2cccs2)n1C1CC1 ZINC000490398603 564769701 /nfs/dbraw/zinc/76/97/01/564769701.db2.gz IFASRCGYDCJWGG-LBPRGKRZSA-N 1 0 379.555 2.890 20 0 GFADRO CCCC[N@H+](C)C[C@H](C)NS(=O)(=O)Cc1cccc(Br)c1 ZINC000554710199 564770840 /nfs/dbraw/zinc/77/08/40/564770840.db2.gz BPENMOSFVWOSSV-ZDUSSCGKSA-N 1 0 377.348 2.989 20 0 GFADRO CN(C(=O)Cc1ccc(I)cc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000580714274 564771024 /nfs/dbraw/zinc/77/10/24/564771024.db2.gz PNGDSQSFWDVPMG-YIONKMFJSA-N 1 0 384.261 2.575 20 0 GFADRO CC(=O)NC1CCC([N@H+](C)CC(=O)Nc2ccccc2Br)CC1 ZINC000554743034 564771975 /nfs/dbraw/zinc/77/19/75/564771975.db2.gz MACPXUMMMBIRSY-UHFFFAOYSA-N 1 0 382.302 2.767 20 0 GFADRO CCn1c(-c2cc(OC)ccc2Br)nnc1N1CC[NH+](CC)CC1 ZINC000460290505 564773244 /nfs/dbraw/zinc/77/32/44/564773244.db2.gz UFLVGHLHHPKUGD-UHFFFAOYSA-N 1 0 394.317 2.878 20 0 GFADRO CCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@H](C)[N@H+](CC)C[C@@H]1C ZINC000460300912 564774071 /nfs/dbraw/zinc/77/40/71/564774071.db2.gz HYTRRUUYGYOSCT-RYUDHWBXSA-N 1 0 381.322 2.975 20 0 GFADRO Cc1nc(N2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)sc1S(N)(=O)=O ZINC000554930339 564778154 /nfs/dbraw/zinc/77/81/54/564778154.db2.gz LIJHWQAZOVOCCI-CYBMUJFWSA-N 1 0 386.587 2.580 20 0 GFADRO CS[C@@H]1CN(S(=O)(=O)c2cc(Cl)ccc2F)C[C@H]1[NH+]1CCCC1 ZINC000580968134 564781798 /nfs/dbraw/zinc/78/17/98/564781798.db2.gz ZYLMZEXRJVXABS-ZIAGYGMSSA-N 1 0 378.922 2.679 20 0 GFADRO CCc1ncc(S(=O)(=O)N(CC[NH+](C)C)Cc2ccc(F)c(F)c2)s1 ZINC000460946340 564785765 /nfs/dbraw/zinc/78/57/65/564785765.db2.gz BKEGEURIFITSCG-UHFFFAOYSA-N 1 0 389.493 2.736 20 0 GFADRO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCc1noc(-c2cccc(Br)c2)n1 ZINC000581069415 564785975 /nfs/dbraw/zinc/78/59/75/564785975.db2.gz FZMUSPOYKROHJG-STQMWFEESA-N 1 0 379.258 2.503 20 0 GFADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)c1c(Br)ccc2ccccc21 ZINC000528463425 564786883 /nfs/dbraw/zinc/78/68/83/564786883.db2.gz HBMKQKQOKCWEHX-AWEZNQCLSA-N 1 0 390.325 2.968 20 0 GFADRO C[C@@H]1CN(C(=O)NCCCn2cc(Br)cn2)CC[N@@H+](C2CCC2)C1 ZINC000491150828 564787701 /nfs/dbraw/zinc/78/77/01/564787701.db2.gz VBIXSQHGKXIWQR-AWEZNQCLSA-N 1 0 398.349 2.552 20 0 GFADRO CC(C)(C)[NH2+]CCNC(=O)C(=O)Nc1cccc(Br)c1Cl ZINC000555272964 564788266 /nfs/dbraw/zinc/78/82/66/564788266.db2.gz USSWIMLKJHQURV-UHFFFAOYSA-N 1 0 376.682 2.545 20 0 GFADRO C[C@@]1(CNC(=O)CNC(=O)c2sc3ccccc3c2Cl)CCC[NH2+]C1 ZINC000581130410 564788945 /nfs/dbraw/zinc/78/89/45/564788945.db2.gz OINMIUIISFVHPH-GOSISDBHSA-N 1 0 379.913 2.790 20 0 GFADRO CO[C@@]1(C[NH2+][C@@H](C)c2nnn(-c3cccc(Br)c3)c2C)CCOC1 ZINC000461089979 564789213 /nfs/dbraw/zinc/78/92/13/564789213.db2.gz RYPLYSJYNADTET-YVEFUNNKSA-N 1 0 395.301 2.794 20 0 GFADRO C[C@H](NC[C@@H]1CCC[N@H+](C)C1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000555369037 564790718 /nfs/dbraw/zinc/79/07/18/564790718.db2.gz XNKZCWFBPMDKEY-QWRGUYRKSA-N 1 0 380.341 2.633 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1cc(Cl)ccc1OCCCOC ZINC000491311117 564791065 /nfs/dbraw/zinc/79/10/65/564791065.db2.gz VCOZOMQCLROCPK-HNNXBMFYSA-N 1 0 390.933 2.518 20 0 GFADRO CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cc(Br)ccn1 ZINC000491350011 564791084 /nfs/dbraw/zinc/79/10/84/564791084.db2.gz WBPPORHWFUANOT-GOSISDBHSA-N 1 0 376.298 2.917 20 0 GFADRO O=C(NC[C@H]1C[NH2+]CCCO1)N(Cc1cccc(Br)c1)C1CC1 ZINC000581181202 564791429 /nfs/dbraw/zinc/79/14/29/564791429.db2.gz CQAYRQHYQXSNLQ-MRXNPFEDSA-N 1 0 382.302 2.502 20 0 GFADRO CS(=O)(=O)N1CC[C@@H]([NH2+][C@H]2CCCOc3c(Cl)c(Cl)ccc32)C1 ZINC000581255638 564794114 /nfs/dbraw/zinc/79/41/14/564794114.db2.gz LFZCPEKREPYKDM-MFKMUULPSA-N 1 0 379.309 2.831 20 0 GFADRO CCCC[N@@H+]1CCCC[C@H]1CNS(=O)(=O)c1ccc(Br)o1 ZINC000581242998 564794375 /nfs/dbraw/zinc/79/43/75/564794375.db2.gz YOKSVZLENUWRNI-LBPRGKRZSA-N 1 0 379.320 2.975 20 0 GFADRO C[C@H](CNS(=O)(=O)c1ccc(OCC(F)(F)F)cc1)C[NH+]1CCCC1 ZINC000491856463 564796354 /nfs/dbraw/zinc/79/63/54/564796354.db2.gz FFPQOLGYUVKNKN-CYBMUJFWSA-N 1 0 380.432 2.638 20 0 GFADRO C[C@@H](CNS(=O)(=O)c1ccc(OCC(F)(F)F)cc1)C[NH+]1CCCC1 ZINC000491856464 564796740 /nfs/dbraw/zinc/79/67/40/564796740.db2.gz FFPQOLGYUVKNKN-ZDUSSCGKSA-N 1 0 380.432 2.638 20 0 GFADRO C[C@]1(c2ccc(Br)s2)NC(=O)N(CCC2CC[NH2+]CC2)C1=O ZINC000581364666 564799196 /nfs/dbraw/zinc/79/91/96/564799196.db2.gz BNCONPYQRJZPHP-OAHLLOKOSA-N 1 0 386.315 2.667 20 0 GFADRO [NH3+]CC1(NC(=O)Nc2ccc(Cl)cc2OCC(F)(F)F)CCOCC1 ZINC000528682806 564799354 /nfs/dbraw/zinc/79/93/54/564799354.db2.gz SRMVKCPRSPEKQO-UHFFFAOYSA-N 1 0 381.782 2.911 20 0 GFADRO COCCOc1ccc(Br)cc1NC(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000528686016 564800852 /nfs/dbraw/zinc/80/08/52/564800852.db2.gz IYOOCQYSPRYLMX-OAHLLOKOSA-N 1 0 398.301 2.880 20 0 GFADRO CC1(N2CCOCC2)CC[NH+](C[C@@H](O)c2ccc(Br)cc2)CC1 ZINC000528727276 564802869 /nfs/dbraw/zinc/80/28/69/564802869.db2.gz IZGFUPXAUQGMRV-QGZVFWFLSA-N 1 0 383.330 2.669 20 0 GFADRO COc1cc(C(=O)N2CC[NH+](CC(C)C)CC2)cc(Br)c1OC ZINC000555816863 564805011 /nfs/dbraw/zinc/80/50/11/564805011.db2.gz XVBWLVZSRGUVKI-UHFFFAOYSA-N 1 0 385.302 2.880 20 0 GFADRO O=C(NCc1cccc(Cl)c1Cl)C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000555941978 564808867 /nfs/dbraw/zinc/80/88/67/564808867.db2.gz WYYJUVVQORLTNI-ZDUSSCGKSA-N 1 0 384.307 2.743 20 0 GFADRO CC[NH+](CC)[C@H](CNC(=O)C(=O)N1C[C@@H](C)S[C@H](C)C1)c1ccsc1 ZINC000556058351 564811226 /nfs/dbraw/zinc/81/12/26/564811226.db2.gz GBQZDSDFCDGDQS-IIAWOOMASA-N 1 0 383.583 2.600 20 0 GFADRO COc1cc2[nH+]ccc(N[C@@H]3CCC(=O)N[C@H]3C3CC3)c2cc1Br ZINC000581663365 564812862 /nfs/dbraw/zinc/81/28/62/564812862.db2.gz TXWDWOPIEZCBFJ-KDOFPFPSSA-N 1 0 390.281 2.897 20 0 GFADRO CCC[N@H+](CC)CCNC(=O)N[C@@H](CCO)c1ccccc1Br ZINC000581686286 564813888 /nfs/dbraw/zinc/81/38/88/564813888.db2.gz JCGUWXSJOROWMN-INIZCTEOSA-N 1 0 386.334 2.904 20 0 GFADRO CC(C)C[C@@H](C[NH+](C)C)NS(=O)(=O)CCc1ccccc1Br ZINC000462067492 564815319 /nfs/dbraw/zinc/81/53/19/564815319.db2.gz MEDNYZXGOCQLLN-HNNXBMFYSA-N 1 0 391.375 2.887 20 0 GFADRO CCc1cccc(OC[C@H](O)C[NH2+]Cc2ccc(S(=O)(=O)CC)s2)c1 ZINC000581721732 564815788 /nfs/dbraw/zinc/81/57/88/564815788.db2.gz MVUPGNVDTAHVTG-OAHLLOKOSA-N 1 0 383.535 2.634 20 0 GFADRO [NH3+][C@H]1CCc2ncc(NC(=O)COc3ccc(F)cc3Br)cc2C1 ZINC000581806465 564818687 /nfs/dbraw/zinc/81/86/87/564818687.db2.gz MUNZEPLEOCPSOC-LBPRGKRZSA-N 1 0 394.244 2.817 20 0 GFADRO C[C@H]1CCCN1C(=O)CC[N@H+](CCO)Cc1cc(Br)cs1 ZINC000494277059 564821371 /nfs/dbraw/zinc/82/13/71/564821371.db2.gz NVESZWAKNXXLPP-LBPRGKRZSA-N 1 0 375.332 2.706 20 0 GFADRO CC[NH+]1CCC(N2CCCN(c3cc(SC)nc(SC)n3)CC2)CC1 ZINC000581895088 564821725 /nfs/dbraw/zinc/82/17/25/564821725.db2.gz SBICPRICTHRFMV-UHFFFAOYSA-N 1 0 381.615 2.917 20 0 GFADRO C[C@H]([NH2+]C[C@H](C)S(C)(=O)=O)c1ccc(F)c(I)c1 ZINC000556424284 564825191 /nfs/dbraw/zinc/82/51/91/564825191.db2.gz WOVACZYRSJLFCY-IUCAKERBSA-N 1 0 385.242 2.514 20 0 GFADRO Cc1cc(C[NH2+]C[C@H](O)CCOC(C)C)ccc1I ZINC000582117998 564831239 /nfs/dbraw/zinc/83/12/39/564831239.db2.gz RSZPKZSLADOOSB-CQSZACIVSA-N 1 0 377.266 2.865 20 0 GFADRO O=C(NC1(c2c(Cl)cccc2Cl)CC1)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000582120700 564831308 /nfs/dbraw/zinc/83/13/08/564831308.db2.gz LUXASOZZQDNOJA-LLVKDONJSA-N 1 0 380.279 2.756 20 0 GFADRO Cc1cc(Br)cc2c1[C@@H]([NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1)CC2 ZINC000494605970 564835184 /nfs/dbraw/zinc/83/51/84/564835184.db2.gz VSJIHRMPGAPHRA-WFASDCNBSA-N 1 0 387.343 2.616 20 0 GFADRO O=C([C@@H]1C[C@H]1c1csc(Br)c1)N1CCC[C@@H](N2CCOCC2)C1 ZINC000529438400 564835709 /nfs/dbraw/zinc/83/57/09/564835709.db2.gz GKBIDDDADRSSDO-QLFBSQMISA-N 1 0 399.354 2.937 20 0 GFADRO NC(=O)[C@H](Cc1ccc(F)cc1)[NH2+]Cc1cc(Br)cc2c1OCC2 ZINC000462376635 564836400 /nfs/dbraw/zinc/83/64/00/564836400.db2.gz RBEXITXAEDFPIL-INIZCTEOSA-N 1 0 393.256 2.709 20 0 GFADRO COCC[C@H](Cc1cccc(Br)c1)C(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000556706768 564836557 /nfs/dbraw/zinc/83/65/57/564836557.db2.gz KAOLCHUJKOZIBH-IXDOHACOSA-N 1 0 395.341 2.712 20 0 GFADRO [NH3+][C@@H]1CCCC[C@@H]1CC(=O)NCCC(=O)Nc1ccc(Br)cc1 ZINC000582238515 564837056 /nfs/dbraw/zinc/83/70/56/564837056.db2.gz IGAOMGBLFPKTRD-IUODEOHRSA-N 1 0 382.302 2.802 20 0 GFADRO C[N@@H+]1CCC[C@H](CCNC(=O)Cc2cc3c(cc2Br)OCCO3)C1 ZINC000556733965 564837426 /nfs/dbraw/zinc/83/74/26/564837426.db2.gz FHGYBLKBGUEDBF-CYBMUJFWSA-N 1 0 397.313 2.611 20 0 GFADRO COCCN(Cc1scnc1C)C(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000494705034 564837460 /nfs/dbraw/zinc/83/74/60/564837460.db2.gz VKCULPNAWQYSQP-HNNXBMFYSA-N 1 0 382.555 2.974 20 0 GFADRO OCCO[C@H]1CCC[N@H+](Cc2c[nH]nc2-c2ccc(Br)s2)C1 ZINC000529528110 564839530 /nfs/dbraw/zinc/83/95/30/564839530.db2.gz REEKUJWBXMKHDZ-LBPRGKRZSA-N 1 0 386.315 2.874 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000582300548 564839629 /nfs/dbraw/zinc/83/96/29/564839629.db2.gz OTZLENGUNINVLR-AWEZNQCLSA-N 1 0 399.239 2.670 20 0 GFADRO O[C@@H](C[NH2+]CCc1cn2c(n1)SCC2)COc1c(Cl)cccc1Cl ZINC000582297166 564839681 /nfs/dbraw/zinc/83/96/81/564839681.db2.gz QVLLSZYLYYNFNG-LBPRGKRZSA-N 1 0 388.320 2.868 20 0 GFADRO CC[N@H+](CCNC(=O)Nc1ccc([S@](C)=O)c(F)c1)CCC(F)(F)F ZINC000494778205 564839810 /nfs/dbraw/zinc/83/98/10/564839810.db2.gz OSGFGHBAVWFXTP-VWLOTQADSA-N 1 0 383.411 2.959 20 0 GFADRO CS(=O)(=O)N1CC[C@@H]([NH2+][C@H](c2cccc(OC(F)(F)F)c2)C2CC2)C1 ZINC000582305642 564839984 /nfs/dbraw/zinc/83/99/84/564839984.db2.gz IGMYFIVBRSCZHX-HIFRSBDPSA-N 1 0 378.416 2.660 20 0 GFADRO CC[C@H](CNC(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1)OC ZINC000462436123 564840168 /nfs/dbraw/zinc/84/01/68/564840168.db2.gz KVYVCIPNQLIFFH-MRXNPFEDSA-N 1 0 386.334 2.947 20 0 GFADRO C[N@@H+]1CCCC[C@H]1CN1CCN(Cc2ncc(Br)cc2F)CC1 ZINC000529527474 564840252 /nfs/dbraw/zinc/84/02/52/564840252.db2.gz CWTVPFRIXLYDQI-HNNXBMFYSA-N 1 0 385.325 2.585 20 0 GFADRO C[N@H+](CCCO)C1CCN(Cc2ncc(Cl)cc2Br)CC1 ZINC000529530080 564840635 /nfs/dbraw/zinc/84/06/35/564840635.db2.gz BRMNQNHQSZMBKX-UHFFFAOYSA-N 1 0 376.726 2.776 20 0 GFADRO CCC[N@H+](C)C[C@H]1CCN(C(=O)N[C@H](C)c2ncc(Br)cn2)C1 ZINC000582338109 564841804 /nfs/dbraw/zinc/84/18/04/564841804.db2.gz JOIOBOADMDBHNC-CHWSQXEVSA-N 1 0 384.322 2.673 20 0 GFADRO CCC[NH+]1CCC(NS(=O)(=O)c2ccc(C)c(Br)c2)CC1 ZINC000462466936 564841890 /nfs/dbraw/zinc/84/18/90/564841890.db2.gz HYUXSIJCMGKHEN-UHFFFAOYSA-N 1 0 375.332 2.910 20 0 GFADRO COCC[C@H](Cc1cccc(Br)c1)C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000494879872 564842743 /nfs/dbraw/zinc/84/27/43/564842743.db2.gz RABYHEAVWHTXSY-JFIYKMOQSA-N 1 0 395.341 2.855 20 0 GFADRO C[C@@H](CC(=O)N1CCN(CCO)[C@@H](C)C1)c1ccc(F)c(Br)c1 ZINC000462484113 564842700 /nfs/dbraw/zinc/84/27/00/564842700.db2.gz IKUIJXFXMWSPHF-STQMWFEESA-N 1 0 387.293 2.607 20 0 GFADRO CC(C)[N@H+](C)CCNC(=O)N[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000494913370 564843537 /nfs/dbraw/zinc/84/35/37/564843537.db2.gz ZVMQOLBGKAAFLQ-HNNXBMFYSA-N 1 0 383.334 2.667 20 0 GFADRO CC1(C)NC(=O)CC[C@H]1[NH2+]C[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000494896559 564843960 /nfs/dbraw/zinc/84/39/60/564843960.db2.gz GZXIRLVSISVUHE-CZUORRHYSA-N 1 0 380.330 2.922 20 0 GFADRO C[C@H]1CCC[N@H+](CCNC(=O)NCc2cc(Br)cc3c2OCC3)C1 ZINC000462516440 564845294 /nfs/dbraw/zinc/84/52/94/564845294.db2.gz XSKXWMKZRGTBKP-ZDUSSCGKSA-N 1 0 396.329 2.915 20 0 GFADRO Cc1ccc(Br)c(S(=O)(=O)NCC[NH2+][C@@H]2C[C@@H](C)[C@H]2C)c1 ZINC000494998869 564845405 /nfs/dbraw/zinc/84/54/05/564845405.db2.gz MUDDWNWWMTYMLS-YRGRVCCFSA-N 1 0 375.332 2.670 20 0 GFADRO COC(=O)c1cc(S(=O)(=O)NCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)cs1 ZINC000462535711 564846393 /nfs/dbraw/zinc/84/63/93/564846393.db2.gz PPJCMZBHORMZQJ-ZIAGYGMSSA-N 1 0 388.555 2.571 20 0 GFADRO COC(=O)c1cccc(NC(=O)N[C@@H]2CCC[N@H+](C)[C@@H]2C)c1Br ZINC000495031401 564846903 /nfs/dbraw/zinc/84/69/03/564846903.db2.gz RNVDLSAEPWAOOM-ZYHUDNBSSA-N 1 0 384.274 2.840 20 0 GFADRO O=S(=O)(N[C@H]1CC[N@H+](CC2CCCC2)C1)c1cccc(Br)c1 ZINC000462571900 564849112 /nfs/dbraw/zinc/84/91/12/564849112.db2.gz AYUIZDPYYPFMJN-HNNXBMFYSA-N 1 0 387.343 2.992 20 0 GFADRO C[C@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000495170176 564850666 /nfs/dbraw/zinc/85/06/66/564850666.db2.gz FPIPPZOHEQGASJ-IHQJAULKSA-N 1 0 377.897 2.951 20 0 GFADRO C[C@H](NC(=O)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1)c1ccc(Br)cc1 ZINC000557014393 564850863 /nfs/dbraw/zinc/85/08/63/564850863.db2.gz JQUIMYAOZLCENC-MAZHCROVSA-N 1 0 396.329 2.615 20 0 GFADRO C[C@H](CC(=O)NCCOCC[NH+](C)C)c1ccc(F)c(Br)c1 ZINC000462588654 564851286 /nfs/dbraw/zinc/85/12/86/564851286.db2.gz GPURTJHIVJAGFZ-GFCCVEGCSA-N 1 0 375.282 2.776 20 0 GFADRO COC[C@]1(C(=O)NCCc2csc(-c3ccc(Cl)cc3)n2)CC[NH2+]C1 ZINC000582549158 564851901 /nfs/dbraw/zinc/85/19/01/564851901.db2.gz NEHJTYPWLNVXIO-SFHVURJKSA-N 1 0 379.913 2.748 20 0 GFADRO CCC[N@H+](CC)C[C@H](C)NC(=O)N[C@H]1C[C@H](C)S(=O)(=O)c2sccc21 ZINC000462631207 564852828 /nfs/dbraw/zinc/85/28/28/564852828.db2.gz KDITUVINJRDTIP-YDHLFZDLSA-N 1 0 387.571 2.775 20 0 GFADRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1cccc(I)c1 ZINC000557117873 564855214 /nfs/dbraw/zinc/85/52/14/564855214.db2.gz KXWPAAPXYLNESH-SWLSCSKDSA-N 1 0 384.261 2.990 20 0 GFADRO O=C(NCCNc1ncc(Cl)cc1Cl)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000557131416 564855223 /nfs/dbraw/zinc/85/52/23/564855223.db2.gz UGDRUTAPRIMYEZ-STQMWFEESA-N 1 0 386.327 2.831 20 0 GFADRO O=C(CC[NH+]1CCC(n2cc(Br)cn2)CC1)Nc1cccnc1 ZINC000582641203 564855468 /nfs/dbraw/zinc/85/54/68/564855468.db2.gz GEQLZXZKFHUCGO-UHFFFAOYSA-N 1 0 378.274 2.706 20 0 GFADRO CSc1ncc(C(=O)N2C[C@@H]([NH+](C)C)[C@@H](SC)C2)n1-c1ccccc1 ZINC000495551437 564855628 /nfs/dbraw/zinc/85/56/28/564855628.db2.gz ZNNOLZCECYVCMV-CVEARBPZSA-N 1 0 376.551 2.712 20 0 GFADRO CS[C@H]1CN(C(=O)c2cccc(OCc3cscn3)c2)C[C@@H]1[NH+](C)C ZINC000495621745 564856047 /nfs/dbraw/zinc/85/60/47/564856047.db2.gz WEMZEHJIDFBBMM-IRXDYDNUSA-N 1 0 377.535 2.840 20 0 GFADRO C[N@@H+]1CCCN(C(=O)c2c(Cl)cccc2I)CC1 ZINC000463509637 564883752 /nfs/dbraw/zinc/88/37/52/564883752.db2.gz PYHLAQWBDJRTSE-UHFFFAOYSA-N 1 0 378.641 2.722 20 0 GFADRO C[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)N(C)CC[NH+]1CCCC1 ZINC000557240060 564858279 /nfs/dbraw/zinc/85/82/79/564858279.db2.gz ITBZWGUEKSKUFH-CYBMUJFWSA-N 1 0 386.323 2.595 20 0 GFADRO CO[C@@H]1CCC[C@@H]1C[NH2+]C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000582720847 564858866 /nfs/dbraw/zinc/85/88/66/564858866.db2.gz JXTKRPFZUHDONS-DIOULYMOSA-N 1 0 376.266 2.733 20 0 GFADRO O=S(=O)(NCC[NH2+][C@@H]1CCCc2ccc(O)cc21)c1cccc(Cl)c1 ZINC000462807769 564858935 /nfs/dbraw/zinc/85/89/35/564858935.db2.gz BKRQQWREARPFHI-GOSISDBHSA-N 1 0 380.897 2.991 20 0 GFADRO CO[C@@H]1CCC[C@H]1C[NH2+]C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000582720849 564859128 /nfs/dbraw/zinc/85/91/28/564859128.db2.gz JXTKRPFZUHDONS-HZUKXOBISA-N 1 0 376.266 2.733 20 0 GFADRO C[NH+](C)C[C@H](NC(=O)c1ccc2n[nH]nc2n1)c1ccc(Cl)c(Cl)c1 ZINC000530032312 564860374 /nfs/dbraw/zinc/86/03/74/564860374.db2.gz HFSSZATXVMDKSU-AWEZNQCLSA-N 1 0 379.251 2.692 20 0 GFADRO O=S(=O)(c1ccc(OC(F)F)c(F)c1)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000557348077 564860487 /nfs/dbraw/zinc/86/04/87/564860487.db2.gz VVHGTNZGVGYXLS-SMDDNHRTSA-N 1 0 378.416 2.580 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S(=O)(=O)CC[NH2+]C[C@H]1CC=CCC1 ZINC000582780342 564861625 /nfs/dbraw/zinc/86/16/25/564861625.db2.gz LXZQICSDUMOLKX-INIZCTEOSA-N 1 0 385.551 2.590 20 0 GFADRO Cc1cc(OC[C@H](O)C[NH2+]C[C@@H]2CCCS2(=O)=O)c(C(C)C)cc1Cl ZINC000582781059 564861767 /nfs/dbraw/zinc/86/17/67/564861767.db2.gz QZJGLSDOMOCNFJ-CABCVRRESA-N 1 0 389.945 2.678 20 0 GFADRO O=C(N[C@@H]1C[C@H]1C1CC[NH2+]CC1)c1ccn(-c2cccc(Br)c2)n1 ZINC000462888992 564862266 /nfs/dbraw/zinc/86/22/66/564862266.db2.gz QLWMYODOPAKUQI-DOTOQJQBSA-N 1 0 389.297 2.753 20 0 GFADRO CN(C)c1ncc(Br)cc1C(=O)Nc1ccc2c(c1)C[NH2+]CCO2 ZINC000462891791 564862290 /nfs/dbraw/zinc/86/22/90/564862290.db2.gz TVEDVJGILASAGO-UHFFFAOYSA-N 1 0 391.269 2.644 20 0 GFADRO C[C@H](CNC(=O)c1ccc2cc(I)ccc2n1)C[NH+](C)C ZINC000557467545 564864387 /nfs/dbraw/zinc/86/43/87/564864387.db2.gz PYZKUYCMOCKRRV-LLVKDONJSA-N 1 0 397.260 2.767 20 0 GFADRO CC[C@@H]([NH3+])CNC(=O)[C@H](CCSC)NC(=O)c1ccc(Cl)cc1Cl ZINC000582904325 564867367 /nfs/dbraw/zinc/86/73/67/564867367.db2.gz MQDGSKHYEIMNLA-RISCZKNCSA-N 1 0 392.352 2.698 20 0 GFADRO Cc1ccc(Br)c(S(=O)(=O)NCC[N@H+]2CCC[C@H](C)C2)c1 ZINC000497534678 564870362 /nfs/dbraw/zinc/87/03/62/564870362.db2.gz KZHLODUWGFOCRS-ZDUSSCGKSA-N 1 0 375.332 2.768 20 0 GFADRO C[C@@H]1[C@H](N2CCOCC2)CC[N@@H+]1Cc1nc2ccc(Br)cc2o1 ZINC000463204619 564871694 /nfs/dbraw/zinc/87/16/94/564871694.db2.gz RSVRZCZEPPKSNA-IUODEOHRSA-N 1 0 380.286 2.885 20 0 GFADRO COC(=O)C[C@](C)([NH2+]CCN1CCCOCC1)c1ccc(Br)cc1 ZINC000463196389 564871937 /nfs/dbraw/zinc/87/19/37/564871937.db2.gz CFBMHEFFAMJSQG-SFHVURJKSA-N 1 0 399.329 2.539 20 0 GFADRO CC(C)[C@@H]1C[NH2+]CCN1Cc1csc(-c2ccc(S(C)(=O)=O)cc2)n1 ZINC000530228820 564873239 /nfs/dbraw/zinc/87/32/39/564873239.db2.gz FWPLGLIUCSODHG-KRWDZBQOSA-N 1 0 379.551 2.643 20 0 GFADRO CN(C(=O)NCc1cc(Br)cc2c1OCC2)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000463264567 564874826 /nfs/dbraw/zinc/87/48/26/564874826.db2.gz ZHIIHJWEYHKPBA-MRXNPFEDSA-N 1 0 394.313 2.762 20 0 GFADRO O=C1NC(=O)C2(CCC([NH2+]C3(c4ccc(Br)cc4)CCC3)CC2)N1 ZINC000557763303 564874946 /nfs/dbraw/zinc/87/49/46/564874946.db2.gz YJRHQWOSJBETEY-UHFFFAOYSA-N 1 0 392.297 2.939 20 0 GFADRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1cnnn1-c1c(Cl)cccc1Cl ZINC000530322382 564875582 /nfs/dbraw/zinc/87/55/82/564875582.db2.gz BWNLKNAKEXYYFF-YGRLFVJLSA-N 1 0 380.279 2.787 20 0 GFADRO NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1Cc1nc(-c2cccc(Br)c2)c[nH]1 ZINC000530341947 564876987 /nfs/dbraw/zinc/87/69/87/564876987.db2.gz KNBQOWUIIJSFNO-MRRJBJDNSA-N 1 0 389.297 2.925 20 0 GFADRO C[C@H](CNC(=O)N1CC[C@H]2CC[N@H+](C)C[C@H]21)Oc1ccccc1Br ZINC000497831738 564877169 /nfs/dbraw/zinc/87/71/69/564877169.db2.gz LFJIICVUSWESLB-IIAWOOMASA-N 1 0 396.329 2.952 20 0 GFADRO O=S(=O)(c1c(F)cccc1OC(F)(F)F)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000557812375 564877552 /nfs/dbraw/zinc/87/75/52/564877552.db2.gz SYUWSNNIZGMQBX-LLVKDONJSA-N 1 0 382.379 2.583 20 0 GFADRO O=C(C[NH2+][C@H]1CCCC[C@@H]1N1CCOCC1)Nc1ccc(Br)cc1 ZINC000530419668 564880258 /nfs/dbraw/zinc/88/02/58/564880258.db2.gz LBXAKVJNSWKHRG-IRXDYDNUSA-N 1 0 396.329 2.621 20 0 GFADRO CN(CC[NH+]1CCCC1)C(=O)C1(c2cccc(Br)c2)CC(=O)C1 ZINC000583234556 564881457 /nfs/dbraw/zinc/88/14/57/564881457.db2.gz SSKYDJMMBPCEPH-UHFFFAOYSA-N 1 0 379.298 2.604 20 0 GFADRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1S(=O)(=O)c1ccc(OC(F)F)c(F)c1 ZINC000557855065 564882531 /nfs/dbraw/zinc/88/25/31/564882531.db2.gz NRMQMSFSBXHCPL-SMDDNHRTSA-N 1 0 378.416 2.674 20 0 GFADRO C[C@@H]1CC[N@H+](CCNCc2ccc(Br)cc2N2CCOCC2)C1 ZINC000530441360 564883022 /nfs/dbraw/zinc/88/30/22/564883022.db2.gz UEGIVHQKDZXQJG-OAHLLOKOSA-N 1 0 382.346 2.717 20 0 GFADRO O=C(NCc1nc(-c2cccc(Br)c2)no1)[C@H]1CC12CC[NH2+]CC2 ZINC000583262176 564883631 /nfs/dbraw/zinc/88/36/31/564883631.db2.gz VHVBTCJKULUOIU-CYBMUJFWSA-N 1 0 391.269 2.505 20 0 GFADRO COC(=O)C[C@@]1([NH2+]Cc2ccc(Br)c3cccnc23)CCOC1 ZINC000463699671 564888070 /nfs/dbraw/zinc/88/80/70/564888070.db2.gz RLTIDIKYNQEDFV-KRWDZBQOSA-N 1 0 379.254 2.809 20 0 GFADRO C[N@@H+]1CC[C@]2(CCN(C(=O)c3ccc(-n4cc(Br)cn4)cc3)C2)C1 ZINC000558031360 564888821 /nfs/dbraw/zinc/88/88/21/564888821.db2.gz MVMUVNIQGASYOC-SFHVURJKSA-N 1 0 389.297 2.803 20 0 GFADRO C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000498091239 564889119 /nfs/dbraw/zinc/88/91/19/564889119.db2.gz GLHVZBYISIJNLK-NEPJUHHUSA-N 1 0 384.307 2.712 20 0 GFADRO [NH3+][C@H]1CCc2ncc(NC(=O)Cc3cc(F)ccc3Br)cc2C1 ZINC000583435434 564891464 /nfs/dbraw/zinc/89/14/64/564891464.db2.gz CJSGGQYONZUCIX-ZDUSSCGKSA-N 1 0 378.245 2.980 20 0 GFADRO [NH3+][C@H](CC(F)F)C(=O)N1CCC[C@H]1C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000498206525 564891770 /nfs/dbraw/zinc/89/17/70/564891770.db2.gz HYRNCTHXBCQAKA-NEPJUHHUSA-N 1 0 380.222 2.905 20 0 GFADRO CC[NH+]1CCN(CCNC(=O)CSc2cccc(C(F)(F)F)c2)CC1 ZINC000498278096 564894703 /nfs/dbraw/zinc/89/47/03/564894703.db2.gz UEWRXMFZIQWRCA-UHFFFAOYSA-N 1 0 375.460 2.551 20 0 GFADRO Cc1cc(N2CCC[C@H]([NH2+][C@@H]3CN(C)C[C@@H]3C)C2=O)ccc1Br ZINC000464074544 564895152 /nfs/dbraw/zinc/89/51/52/564895152.db2.gz VJJWFIDZPLIQGL-RRQGHBQHSA-N 1 0 380.330 2.793 20 0 GFADRO C[C@H](Oc1ccc(F)cc1Br)C(=O)N(C)[C@H]1C[NH+]2CCC1CC2 ZINC000498487781 564899496 /nfs/dbraw/zinc/89/94/96/564899496.db2.gz VLZYSBAXKNBRGS-NHYWBVRUSA-N 1 0 385.277 2.908 20 0 GFADRO CCC(CC)Nc1cc[nH+]cc1NC(=O)Cn1cc(Br)ccc1=O ZINC000558438393 564900616 /nfs/dbraw/zinc/90/06/16/564900616.db2.gz OVRUQPAZSGDLMP-UHFFFAOYSA-N 1 0 393.285 2.667 20 0 GFADRO CN(CC(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C)C(=O)c1cccs1 ZINC000531066796 564900718 /nfs/dbraw/zinc/90/07/18/564900718.db2.gz HXLSKKPHTWGHSM-HNNXBMFYSA-N 1 0 379.913 2.893 20 0 GFADRO O=C(c1cc(Br)c2c(c1)OCCO2)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000498527852 564901261 /nfs/dbraw/zinc/90/12/61/564901261.db2.gz LBRLLFIPMQKHCN-CQSZACIVSA-N 1 0 395.297 2.921 20 0 GFADRO CC[C@@H](CNC(=O)[C@@H]1CN(CC)CCO1)Cc1cccc(Br)c1 ZINC000498629400 564904091 /nfs/dbraw/zinc/90/40/91/564904091.db2.gz ZHDCOBHJNODJFX-PBHICJAKSA-N 1 0 383.330 2.855 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1cc(Cl)ccc1C(F)(F)F ZINC000498656548 564905367 /nfs/dbraw/zinc/90/53/67/564905367.db2.gz JNQKHCNLCKPFIO-LLVKDONJSA-N 1 0 377.794 2.898 20 0 GFADRO CC[C@@H]1CC[N@@H+]([C@H]2CC(=O)N(c3ccc(I)cc3)C2=O)C1 ZINC000531264894 564905692 /nfs/dbraw/zinc/90/56/92/564905692.db2.gz VGCKWSPXLFIYKC-RISCZKNCSA-N 1 0 398.244 2.655 20 0 GFADRO CC1(C)[C@H]([NH2+]Cc2nnnn2-c2ccccc2Br)[C@@H]2CCCO[C@@H]21 ZINC000583793819 564907671 /nfs/dbraw/zinc/90/76/71/564907671.db2.gz VZLWOTGVNNLJNV-XZJROXQQSA-N 1 0 392.301 2.718 20 0 GFADRO C[N@H+]1C[C@@H](c2ccccc2)[C@H](NS(=O)(=O)c2cccc(Br)c2)C1 ZINC000498853292 564910360 /nfs/dbraw/zinc/91/03/60/564910360.db2.gz IPJHWOIVMQAWLV-DLBZAZTESA-N 1 0 395.322 2.825 20 0 GFADRO COC(=O)c1cc(Br)cc(C(=O)N[C@H](C)C2=CC[N@H+](C)CC2)c1 ZINC000464557085 564910940 /nfs/dbraw/zinc/91/09/40/564910940.db2.gz UEKYKQVHADKQFE-LLVKDONJSA-N 1 0 381.270 2.616 20 0 GFADRO C[C@H](C1CC[NH+](C)CC1)N(C)S(=O)(=O)c1ccccc1OC(F)(F)F ZINC000498883856 564911112 /nfs/dbraw/zinc/91/11/12/564911112.db2.gz MDLHSARNYJPSBQ-GFCCVEGCSA-N 1 0 380.432 2.936 20 0 GFADRO O[C@@H](C[NH2+]C[C@H]1CCN(CC(F)(F)F)C1)COCc1ccccc1Cl ZINC000583989072 564915416 /nfs/dbraw/zinc/91/54/16/564915416.db2.gz AVYFSTHZQYXGON-HIFRSBDPSA-N 1 0 380.838 2.691 20 0 GFADRO CC(C)(C)N1CC[C@H]([NH2+]CCNS(C)(=O)=O)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000558896481 564917690 /nfs/dbraw/zinc/91/76/90/564917690.db2.gz KOASOGDJLQZIDS-HOTGVXAUSA-N 1 0 391.940 2.532 20 0 GFADRO O=C(CCC(=O)c1cc(Cl)sc1Cl)NC[C@@]1(O)C[NH+]2CCC1CC2 ZINC000584062396 564919133 /nfs/dbraw/zinc/91/91/33/564919133.db2.gz MUMFOZPILCSXIH-MRXNPFEDSA-N 1 0 391.320 2.591 20 0 GFADRO C[NH+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000464928104 564920694 /nfs/dbraw/zinc/92/06/94/564920694.db2.gz WIVRDYVPMXITKM-KBPBESRZSA-N 1 0 384.307 2.899 20 0 GFADRO [NH3+][C@@H]1CCCC[C@H]1CC(=O)Nc1ncn(Cc2cccc(Br)c2)n1 ZINC000584113745 564921543 /nfs/dbraw/zinc/92/15/43/564921543.db2.gz GPMCJVBRNMCMRH-DZGCQCFKSA-N 1 0 392.301 2.935 20 0 GFADRO CC[NH+](CC)[C@H]1CCN(C(=O)c2cc(F)ccc2I)C1 ZINC000464972168 564921612 /nfs/dbraw/zinc/92/16/12/564921612.db2.gz LBNUJXZPUQNKPN-LBPRGKRZSA-N 1 0 390.240 2.987 20 0 GFADRO Cc1cc(NC(=O)C[NH2+]C[C@H]2CCCO2)nn1-c1ccc(Cl)c(Cl)c1 ZINC000584107804 564921820 /nfs/dbraw/zinc/92/18/20/564921820.db2.gz NZGQUVBCJUGHDD-CYBMUJFWSA-N 1 0 383.279 3.195 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)C(=O)N[C@@H](C)C[N@H+](C)C(C)C ZINC000584143645 564922497 /nfs/dbraw/zinc/92/24/97/564922497.db2.gz KCNPGFIMNQMKDB-LBPRGKRZSA-N 1 0 384.318 2.795 20 0 GFADRO CC[C@H](C(=O)N1CCN([C@@H](C)c2ccc(Br)cc2)CC1)[NH+](C)C ZINC000531957905 564924668 /nfs/dbraw/zinc/92/46/68/564924668.db2.gz LDPQIILKSWZKMH-WMLDXEAASA-N 1 0 382.346 2.995 20 0 GFADRO C[C@H](CC[NH+](C)C)NC(=O)C(=O)N[C@@H](C)c1cc(F)c(Cl)cc1Cl ZINC000559403446 564931835 /nfs/dbraw/zinc/93/18/35/564931835.db2.gz DGHBRUJRYOALMC-ZJUUUORDSA-N 1 0 378.275 2.766 20 0 GFADRO C[C@@H]1CCC[C@H]1[NH2+]C[C@@H](O)COc1ccc(I)cc1 ZINC000532296530 564934367 /nfs/dbraw/zinc/93/43/67/564934367.db2.gz QZNXFGOYCHOHIR-UXIGCNINSA-N 1 0 375.250 2.809 20 0 GFADRO Cc1cc(NC(=O)C(=O)NCC[N@H+]2CC=C(C)CC2)c(F)cc1Br ZINC000499751574 564935880 /nfs/dbraw/zinc/93/58/80/564935880.db2.gz SNGRQDOGCFTOCM-UHFFFAOYSA-N 1 0 398.276 2.603 20 0 GFADRO CC[C@@H]1C[N@@H+]([C@@H]2CCCN(c3ccc(Br)c(C)c3)C2=O)C[C@@H]1O ZINC000466196033 564936021 /nfs/dbraw/zinc/93/60/21/564936021.db2.gz BMTJZNZEESACTA-XYPHTWIQSA-N 1 0 381.314 2.956 20 0 GFADRO C[C@H]1[C@@H](NC(=O)C(=O)Nc2cc(Cl)ccc2C(F)(F)F)CCC[N@@H+]1C ZINC000499810782 564937186 /nfs/dbraw/zinc/93/71/86/564937186.db2.gz JXDYAINYBHBTAH-CABZTGNLSA-N 1 0 377.794 2.896 20 0 GFADRO C[N@@H+]1CCCC[C@@H]1CCN1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000532480129 564938928 /nfs/dbraw/zinc/93/89/28/564938928.db2.gz BSKHVDUAJUBIQH-CQSZACIVSA-N 1 0 391.990 2.582 20 0 GFADRO COCc1cccc(C[NH2+]CCCNS(=O)(=O)c2ccccc2Cl)c1 ZINC000466385122 564939628 /nfs/dbraw/zinc/93/96/28/564939628.db2.gz AADQQNSTPJPZHP-UHFFFAOYSA-N 1 0 382.913 2.945 20 0 GFADRO COCC[N@H+](C)CCCC1CCN(C(=O)Nc2nc(SC)ns2)CC1 ZINC000499893275 564939664 /nfs/dbraw/zinc/93/96/64/564939664.db2.gz CDTKROAWYCMCCM-UHFFFAOYSA-N 1 0 387.575 2.862 20 0 GFADRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)c2coc(Br)c2)CC1 ZINC000499956722 564941932 /nfs/dbraw/zinc/94/19/32/564941932.db2.gz NJINNAQYWNRIMD-KBPBESRZSA-N 1 0 384.318 2.673 20 0 GFADRO Cc1cc(Br)cc(Cl)c1NC(=O)C(=O)NC[C@H](C)C[NH+](C)C ZINC000559973986 564942928 /nfs/dbraw/zinc/94/29/28/564942928.db2.gz VABPIXLBUYNYCE-VIFPVBQESA-N 1 0 390.709 2.663 20 0 GFADRO CN(CC[N@H+](C)C1CC1)S(=O)(=O)c1cccc(Br)c1Cl ZINC000560037343 564946385 /nfs/dbraw/zinc/94/63/85/564946385.db2.gz OGAJAXBKYLAAME-UHFFFAOYSA-N 1 0 381.723 2.817 20 0 GFADRO CC(C)[N@@H+](CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1)CC1CC1 ZINC000533036759 564952756 /nfs/dbraw/zinc/95/27/56/564952756.db2.gz IYOMLAIITNATAT-UHFFFAOYSA-N 1 0 387.933 2.649 20 0 GFADRO CCCCNC(=O)NC(=O)C[NH2+]C(C)(C)Cc1ccc(Br)cc1 ZINC000533064858 564952853 /nfs/dbraw/zinc/95/28/53/564952853.db2.gz HYQONYXAWFKDSZ-UHFFFAOYSA-N 1 0 384.318 2.986 20 0 GFADRO Cc1ccc(C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@H]2C)cc1I ZINC000467024378 564953543 /nfs/dbraw/zinc/95/35/43/564953543.db2.gz SSKBGYHDKRCIBF-IAQYHMDHSA-N 1 0 384.261 2.812 20 0 GFADRO CS(=O)(=O)NC[C@H]1CCC[C@H]1[NH2+]Cc1ccc(OC(F)F)c(Cl)c1 ZINC000500506606 564956367 /nfs/dbraw/zinc/95/63/67/564956367.db2.gz DZVPPQFRYZMLBK-DGCLKSJQSA-N 1 0 382.860 2.749 20 0 GFADRO CC[C@H](Cc1ccccc1Br)C(=O)N[C@H]1CC[N@H+](CCOC)C1 ZINC000467101407 564956418 /nfs/dbraw/zinc/95/64/18/564956418.db2.gz MXUCGKYDNNJQCD-ZBFHGGJFSA-N 1 0 383.330 2.855 20 0 GFADRO C[NH+](C)CCN(Cc1ccc(F)cc1F)S(=O)(=O)c1cncc(Cl)c1 ZINC000533174735 564956920 /nfs/dbraw/zinc/95/69/20/564956920.db2.gz DFMMEUNEQZIDDG-UHFFFAOYSA-N 1 0 389.855 2.766 20 0 GFADRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)Nc1cc(Br)c(F)cc1F ZINC000467128873 564957072 /nfs/dbraw/zinc/95/70/72/564957072.db2.gz VSGNGXXJDOOVSP-SECBINFHSA-N 1 0 392.244 2.512 20 0 GFADRO O=S(=O)(Cc1cc(Cl)ccc1F)NCC1([NH+]2CCCC2)CCOCC1 ZINC000533200279 564958023 /nfs/dbraw/zinc/95/80/23/564958023.db2.gz ZQWUICSPQFADOX-UHFFFAOYSA-N 1 0 390.908 2.544 20 0 GFADRO Cc1sc2nc(C)nc(SCC(=O)N3C[C@H]4CC[N@@H+](C)[C@H]4C3)c2c1C ZINC000560345561 564958788 /nfs/dbraw/zinc/95/87/88/564958788.db2.gz DEFOOMGOVRKCPL-KGLIPLIRSA-N 1 0 376.551 2.871 20 0 GFADRO COCCN(CC[NH+](C)C)C(=O)[C@@H]1C[C@]12CCc1cc(Br)ccc12 ZINC000467248917 564959170 /nfs/dbraw/zinc/95/91/70/564959170.db2.gz BMKBREZYQIHHTA-HKUYNNGSSA-N 1 0 395.341 2.690 20 0 GFADRO CC[N@H+](CC(=O)N(CCNC(C)=O)Cc1ccc(Cl)cc1Cl)C1CC1 ZINC000500702571 564960522 /nfs/dbraw/zinc/96/05/22/564960522.db2.gz SQUDPRYUCFAAJH-UHFFFAOYSA-N 1 0 386.323 2.942 20 0 GFADRO O=S(=O)(NCC[NH2+][C@@H](c1cncc(F)c1)C1CC1)c1cccc(Cl)c1 ZINC000467354997 564961794 /nfs/dbraw/zinc/96/17/94/564961794.db2.gz FNPKTYKCNOEMOF-QGZVFWFLSA-N 1 0 383.876 2.893 20 0 GFADRO C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+]CCS(=O)(=O)NCC1CCC1 ZINC000467369206 564961898 /nfs/dbraw/zinc/96/18/98/564961898.db2.gz KGFZKUIQAVBNFH-CYBMUJFWSA-N 1 0 378.460 2.946 20 0 GFADRO O=S(=O)(NCCC[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2)c1ccccc1Cl ZINC000467413608 564962637 /nfs/dbraw/zinc/96/26/37/564962637.db2.gz YFKNJXCPVWNUPJ-KBRIMQKVSA-N 1 0 384.929 2.556 20 0 GFADRO CC(C)[NH+]1CCC(Nc2cnc(N3CCOCC3)c(Br)c2)CC1 ZINC000467436220 564963449 /nfs/dbraw/zinc/96/34/49/564963449.db2.gz ASZGLJCPWDKSPH-UHFFFAOYSA-N 1 0 383.334 2.965 20 0 GFADRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1cccc(F)c1I ZINC000533536012 564964710 /nfs/dbraw/zinc/96/47/10/564964710.db2.gz XSGHEJDVBMYGGD-ZANVPECISA-N 1 0 388.224 2.643 20 0 GFADRO O=C(NCCOc1cccc(Cl)c1Cl)NC[C@H]1CCC[N@H+]1CCCO ZINC000560500402 564965608 /nfs/dbraw/zinc/96/56/08/564965608.db2.gz GFXAAIYZBZHGDI-CYBMUJFWSA-N 1 0 390.311 2.518 20 0 GFADRO CC[NH+](CC)CCSCC(=O)N1CCOC[C@H]1CC(=O)c1cccs1 ZINC000467531449 564966651 /nfs/dbraw/zinc/96/66/51/564966651.db2.gz LMNOKCAEPCLCQR-OAHLLOKOSA-N 1 0 384.567 2.623 20 0 GFADRO C[C@@H](NS(=O)(=O)N(C)Cc1c(F)cccc1Cl)C(C)(C)C[NH+](C)C ZINC000467765359 564971990 /nfs/dbraw/zinc/97/19/90/564971990.db2.gz AIUYOUYJOSZRSQ-GFCCVEGCSA-N 1 0 379.929 2.722 20 0 GFADRO C[C@H](CNC(=O)c1ccc(Cl)c(I)c1)C[NH+](C)C ZINC000560707830 564973017 /nfs/dbraw/zinc/97/30/17/564973017.db2.gz YXOUEGARACHNNR-SECBINFHSA-N 1 0 380.657 2.872 20 0 GFADRO C[C@H](CNC(=O)[C@@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1)C[NH+](C)C ZINC000560707287 564973058 /nfs/dbraw/zinc/97/30/58/564973058.db2.gz QBAIEHWBOURTLZ-WBMJQRKESA-N 1 0 386.323 2.912 20 0 GFADRO COc1ccc(Cl)cc1CS(=O)(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000467799192 564973393 /nfs/dbraw/zinc/97/33/93/564973393.db2.gz PTNIDYBFDCBYEA-HNNXBMFYSA-N 1 0 386.945 2.842 20 0 GFADRO CC[NH+](CC)C[C@@H](C)NC(=O)Cc1cc2c(cc1Br)OCCO2 ZINC000501234375 564974541 /nfs/dbraw/zinc/97/45/41/564974541.db2.gz ORDHQBUTCNIFDF-GFCCVEGCSA-N 1 0 385.302 2.609 20 0 GFADRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1ccc(I)cc1 ZINC000560759826 564974598 /nfs/dbraw/zinc/97/45/98/564974598.db2.gz GJHFTDXPJANJCN-DOMZBBRYSA-N 1 0 384.261 2.990 20 0 GFADRO O=C(NC[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1)NCC(F)(F)CO ZINC000468060420 564977699 /nfs/dbraw/zinc/97/76/99/564977699.db2.gz PTJFKZUFRLCHEA-HNNXBMFYSA-N 1 0 375.847 2.621 20 0 GFADRO C[C@H](C[NH+]1CCOCC1)C(=O)Nc1cccc2cc(Br)cnc21 ZINC000561042114 564981873 /nfs/dbraw/zinc/98/18/73/564981873.db2.gz HVWZXUQLQGJWOK-GFCCVEGCSA-N 1 0 378.270 2.904 20 0 GFADRO CC[C@@H](NC(=O)Nc1cnc(N2CC[NH2+]CC2)nc1)c1ccc(Cl)s1 ZINC000561052495 564982526 /nfs/dbraw/zinc/98/25/26/564982526.db2.gz RUELGWYVGPHODQ-GFCCVEGCSA-N 1 0 380.905 2.874 20 0 GFADRO [NH3+]Cc1cccnc1NC(=O)NCc1cc(Br)cc2c1OCC2 ZINC000561057643 564982836 /nfs/dbraw/zinc/98/28/36/564982836.db2.gz NRFFXILGJOKDBI-UHFFFAOYSA-N 1 0 377.242 2.559 20 0 GFADRO Cc1c(Br)ccc(C(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)c1F ZINC000468511583 564985133 /nfs/dbraw/zinc/98/51/33/564985133.db2.gz SKOGHJPTKLXRAJ-CYBMUJFWSA-N 1 0 387.293 2.983 20 0 GFADRO CC[N@@H+]1CCN(C(=O)[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)[C@H](C)C1 ZINC000561157015 564986091 /nfs/dbraw/zinc/98/60/91/564986091.db2.gz GVHGZQCMNIOOLQ-TZMCWYRMSA-N 1 0 384.307 2.899 20 0 GFADRO COC(=O)c1cn(CC[NH2+][C@@H]2C[C@@H](C)c3c2cccc3Br)nn1 ZINC000561298251 564989787 /nfs/dbraw/zinc/98/97/87/564989787.db2.gz KVAZYFXFBROUKC-ZWNOBZJWSA-N 1 0 379.258 2.665 20 0 GFADRO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N[C@@H](C)Cc1ccc(Cl)cc1Cl ZINC000561329160 564991449 /nfs/dbraw/zinc/99/14/49/564991449.db2.gz YPVVMMRVLMDWLP-STQMWFEESA-N 1 0 388.339 2.887 20 0 GFADRO C[NH+](C)CCN(Cc1ccco1)S(=O)(=O)c1c(Cl)ccc(F)c1F ZINC000561474134 564996178 /nfs/dbraw/zinc/99/61/78/564996178.db2.gz TZMGNFPFUFTOJC-UHFFFAOYSA-N 1 0 378.828 2.964 20 0 GFADRO CCCN(CC[NH+](C)C)C(=O)CCNC(=O)Nc1ccc(Br)cc1 ZINC000502405850 564997079 /nfs/dbraw/zinc/99/70/79/564997079.db2.gz ATEXKDVPVBKXJF-UHFFFAOYSA-N 1 0 399.333 2.761 20 0 GFADRO O=C(c1ccc(Br)c2c1OCCC2)N1CC[NH+](CC2CC2)CC1 ZINC000468906391 564998452 /nfs/dbraw/zinc/99/84/52/564998452.db2.gz JNFNQGTVIKJZMH-UHFFFAOYSA-N 1 0 379.298 2.942 20 0 GFADRO CC1CC[NH+](CCN2CCNC(=O)[C@H]2c2ccccc2Br)CC1 ZINC000502492876 564999777 /nfs/dbraw/zinc/99/97/77/564999777.db2.gz BFJFZWCXKCLEQB-QGZVFWFLSA-N 1 0 380.330 2.654 20 0 GFADRO C[C@@H](CC[NH+](C)C)NC(=O)CCOc1cccc(I)c1 ZINC000468938798 565000162 /nfs/dbraw/zinc/00/01/62/565000162.db2.gz LQDYIBHFAKLEFP-LBPRGKRZSA-N 1 0 390.265 2.517 20 0 GFADRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1S(=O)(=O)Cc1cccc(Br)c1 ZINC000561551045 565001087 /nfs/dbraw/zinc/00/10/87/565001087.db2.gz LZTDKLDYIOGAQB-CZUORRHYSA-N 1 0 387.343 2.838 20 0 GFADRO C[C@H](CN1CCOCC1)N(C)C(=O)c1cc(Br)ccc1Cl ZINC000469133871 565006950 /nfs/dbraw/zinc/00/69/50/565006950.db2.gz SUUBPLSLBIPLCV-LLVKDONJSA-N 1 0 375.694 2.895 20 0 GFADRO CC[NH+]1CCN(CC(=O)N2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)CC1 ZINC000469375413 565015423 /nfs/dbraw/zinc/01/54/23/565015423.db2.gz OZDICTUWUFASEI-KRWDZBQOSA-N 1 0 386.323 2.531 20 0 GFADRO CCCC[N@H+](C)CCNC(=O)[C@H]1CC(=O)Nc2ccc(Br)cc21 ZINC000469391759 565016458 /nfs/dbraw/zinc/01/64/58/565016458.db2.gz VCVHFLOOEBKLCD-AWEZNQCLSA-N 1 0 382.302 2.723 20 0 GFADRO O=S(=O)(NCCC[NH2+][C@@H]1CC[C@@H]1C1CC1)c1ccccc1Br ZINC000562066176 565016865 /nfs/dbraw/zinc/01/68/65/565016865.db2.gz ZOIXWOCFEIKWHO-UKRRQHHQSA-N 1 0 387.343 2.896 20 0 GFADRO O=C(N[C@H]1CC[N@@H+](C2CC2)C1)[C@@H](c1ccc(Br)cc1)N1CCCC1 ZINC000503411676 565018676 /nfs/dbraw/zinc/01/86/76/565018676.db2.gz QJXCIFLPNJHPDD-FUHWJXTLSA-N 1 0 392.341 2.939 20 0 GFADRO Brc1cncc(Br)c1C[NH2+][C@H]1CCc2nc[nH]c2C1 ZINC000562208127 565020236 /nfs/dbraw/zinc/02/02/36/565020236.db2.gz QOBONLHGDVSZLQ-QMMMGPOBSA-N 1 0 386.091 2.977 20 0 GFADRO CC[NH+](CC)CCCNC(=O)COc1ccc(Br)cc1C(C)=O ZINC000503493323 565021157 /nfs/dbraw/zinc/02/11/57/565021157.db2.gz KBFVARCXHCADHK-UHFFFAOYSA-N 1 0 385.302 2.879 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)[C@H]1CCC[N@@H+]1C1CC1 ZINC000562341029 565024970 /nfs/dbraw/zinc/02/49/70/565024970.db2.gz FOGQZIRRKTTZMJ-MRXNPFEDSA-N 1 0 394.313 2.829 20 0 GFADRO Cc1ccc(S(=O)(=O)N2CC[C@H](OCC[NH+]3CCCCC3)C2)cc1Cl ZINC000469797352 565027030 /nfs/dbraw/zinc/02/70/30/565027030.db2.gz AVCKWSBGVQQVBC-INIZCTEOSA-N 1 0 386.945 2.914 20 0 GFADRO CN(CC[NH+](C)C)C(=O)NCCCOc1ncc(C(F)(F)F)cc1Cl ZINC000536068326 565028683 /nfs/dbraw/zinc/02/86/83/565028683.db2.gz AWWHNYTVLHVDDJ-UHFFFAOYSA-N 1 0 382.814 2.726 20 0 GFADRO C[C@H](Cc1ccc(Br)cc1F)[NH2+]CC1(OCCO)CCOCC1 ZINC000503899305 565030249 /nfs/dbraw/zinc/03/02/49/565030249.db2.gz AAMNYDORGRRIJZ-CYBMUJFWSA-N 1 0 390.293 2.667 20 0 GFADRO OCCOC1(C[NH2+][C@@H]2CCCc3c(Br)cccc32)CCOCC1 ZINC000503883512 565030611 /nfs/dbraw/zinc/03/06/11/565030611.db2.gz DNLCSVDXHVUUST-QGZVFWFLSA-N 1 0 384.314 2.974 20 0 GFADRO Cc1cc(Br)cn2c(CN3CCC(OCCC[NH3+])CC3)cnc12 ZINC000469856173 565030651 /nfs/dbraw/zinc/03/06/51/565030651.db2.gz YWZREAOUHVIGEC-UHFFFAOYSA-N 1 0 381.318 2.735 20 0 GFADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N(C)CC[NH+](C(C)C)C(C)C)c1 ZINC000503975108 565031941 /nfs/dbraw/zinc/03/19/41/565031941.db2.gz AQHTWMDDWRHSIX-UHFFFAOYSA-N 1 0 390.933 2.866 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)CCC[N@@H+]1C[C@H](CO)O[C@@H](C)C1 ZINC000470005288 565034747 /nfs/dbraw/zinc/03/47/47/565034747.db2.gz XEPOSZHCRVKCIB-GOEBONIOSA-N 1 0 399.329 2.866 20 0 GFADRO C[C@H](CNC(=O)N[C@H](CO)c1ccc(Br)cc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000504081469 565034969 /nfs/dbraw/zinc/03/49/69/565034969.db2.gz ZXJZXHFJTKHMLE-CKEIUWERSA-N 1 0 398.345 2.902 20 0 GFADRO CC[C@@H](Cc1ccccc1Br)NC(=O)NCC[N@H+](C)CCOC ZINC000470055342 565036261 /nfs/dbraw/zinc/03/62/61/565036261.db2.gz OFRRBFPXIJSWBP-HNNXBMFYSA-N 1 0 386.334 2.648 20 0 GFADRO C[C@@H](CNC(=O)N[C@@H](CO)c1ccc(Br)cc1)[NH+]1CCC(C)CC1 ZINC000504259544 565037156 /nfs/dbraw/zinc/03/71/56/565037156.db2.gz INYSTLUDABHXGR-YOEHRIQHSA-N 1 0 398.345 2.902 20 0 GFADRO Cc1cc(Br)ccc1CC(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000470084178 565038100 /nfs/dbraw/zinc/03/81/00/565038100.db2.gz YLIJHOJQQMUMFG-OAHLLOKOSA-N 1 0 383.330 2.917 20 0 GFADRO O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)N1CCN(Cc2ccc(Cl)s2)CC1 ZINC000504310409 565038186 /nfs/dbraw/zinc/03/81/86/565038186.db2.gz STTBXFHCJFTSJQ-GJZGRUSLSA-N 1 0 382.961 2.856 20 0 GFADRO C[N@@H+]1CCC[C@@H](CCNC(=O)C[C@@H]2Sc3ccc(Cl)cc3NC2=O)C1 ZINC000562660844 565038479 /nfs/dbraw/zinc/03/84/79/565038479.db2.gz RBVRWXBDKBISNY-LRDDRELGSA-N 1 0 381.929 2.991 20 0 GFADRO C[C@H](CO)[N@@H+]1CCCN(Cc2cnn(-c3ccc(Br)cc3)c2)CC1 ZINC000470137333 565038770 /nfs/dbraw/zinc/03/87/70/565038770.db2.gz SRZVDSBMWGZQRS-OAHLLOKOSA-N 1 0 393.329 2.523 20 0 GFADRO Cc1nc(C(=O)NCC2([NH+]3CCCC3)CCOCC2)c(Br)s1 ZINC000562704398 565038862 /nfs/dbraw/zinc/03/88/62/565038862.db2.gz JJCOGVNFIVTMDO-UHFFFAOYSA-N 1 0 388.331 2.589 20 0 GFADRO CC[N@H+](CCO)CCNC(=O)NCCOc1c(Cl)cc(Cl)cc1Cl ZINC000470160772 565039681 /nfs/dbraw/zinc/03/96/81/565039681.db2.gz GYMRIXGVSBFCCN-UHFFFAOYSA-N 1 0 398.718 2.639 20 0 GFADRO O=S1(=O)CC[C@H]([NH2+][C@H]2CCC[C@@H](CO)C2)c2cc(Br)ccc21 ZINC000562736018 565040409 /nfs/dbraw/zinc/04/04/09/565040409.db2.gz ICQIXBWNVCXCNJ-ZLDLUXBVSA-N 1 0 388.327 2.808 20 0 GFADRO C[C@H](Cc1ccc(Br)cc1)[NH2+][C@H]1CCC[C@@H]1CNS(C)(=O)=O ZINC000504560589 565041048 /nfs/dbraw/zinc/04/10/48/565041048.db2.gz ICNNZCMGCRWYCP-XPKDYRNWSA-N 1 0 389.359 2.688 20 0 GFADRO C[C@H](Cc1ccccc1C(F)(F)F)[NH2+][C@@H]1CCC[C@@H]1CNS(C)(=O)=O ZINC000504574577 565041999 /nfs/dbraw/zinc/04/19/99/565041999.db2.gz GAJJBLKKNYLHLU-XNRPHZJLSA-N 1 0 378.460 2.944 20 0 GFADRO CC[NH+](CC)CCOC1CCN(C(=O)c2ccc(Br)cc2N)CC1 ZINC000470295585 565042595 /nfs/dbraw/zinc/04/25/95/565042595.db2.gz AHBFWUQSXBNYSI-UHFFFAOYSA-N 1 0 398.345 2.994 20 0 GFADRO Cn1ccc(CC[NH2+]Cc2cc(Br)cc(Br)c2N)n1 ZINC000470325324 565043113 /nfs/dbraw/zinc/04/31/13/565043113.db2.gz CSJCXPFRWBYWBP-UHFFFAOYSA-N 1 0 388.107 2.860 20 0 GFADRO Cc1cc(C[NH+]2CCC([C@]3(C)NC(=O)NC3=O)CC2)sc1Br ZINC000536667071 565044123 /nfs/dbraw/zinc/04/41/23/565044123.db2.gz YKMAYMSTLZLORI-HNNXBMFYSA-N 1 0 386.315 2.629 20 0 GFADRO CCN(CC)C(=O)C[C@H](C)[NH2+]Cc1ccc(S(=O)(=O)N(CC)CC)s1 ZINC000536834972 565048224 /nfs/dbraw/zinc/04/82/24/565048224.db2.gz SXHKKVZDEYPTFM-AWEZNQCLSA-N 1 0 389.587 2.515 20 0 GFADRO Cc1nc(-c2ccccc2F)sc1[C@@H](C)[NH2+]C[C@@H]1CS(=O)(=O)CCO1 ZINC000536841955 565048351 /nfs/dbraw/zinc/04/83/51/565048351.db2.gz ZIKWYMREBRNGRY-DGCLKSJQSA-N 1 0 384.498 2.722 20 0 GFADRO CS(=O)(=O)c1cccc([C@@H](N[C@@H]2[C@H]3C[NH2+]C[C@H]32)c2ccc(Cl)cc2)c1 ZINC000562962313 565049020 /nfs/dbraw/zinc/04/90/20/565049020.db2.gz RZQJZVFWNFASCA-ZSYWTGECSA-N 1 0 376.909 2.640 20 0 GFADRO COc1ccc(Br)c(NC(=O)c2cnn([C@H]3CCC[NH2+]C3)c2)c1 ZINC000562958321 565049363 /nfs/dbraw/zinc/04/93/63/565049363.db2.gz DHCOHSZGCGMJDL-LBPRGKRZSA-N 1 0 379.258 2.831 20 0 GFADRO Cc1cc(NC(=O)C[C@H]2CSCC[NH2+]2)nn1-c1ccc(Cl)c(Cl)c1 ZINC000562977663 565050828 /nfs/dbraw/zinc/05/08/28/565050828.db2.gz FPIIWCCNRKNCBB-NSHDSACASA-N 1 0 385.320 3.521 20 0 GFADRO O[C@H](C[NH2+]CCc1cscn1)COc1cc(F)cc(Br)c1 ZINC000562996772 565051458 /nfs/dbraw/zinc/05/14/58/565051458.db2.gz NRDVLGAQFXSJNA-CYBMUJFWSA-N 1 0 375.263 2.617 20 0 GFADRO O[C@@H](C[NH2+]CCc1cscn1)COc1cc(F)cc(Br)c1 ZINC000562996773 565051479 /nfs/dbraw/zinc/05/14/79/565051479.db2.gz NRDVLGAQFXSJNA-ZDUSSCGKSA-N 1 0 375.263 2.617 20 0 GFADRO O[C@H](C[NH2+]C1CC[NH+](C2CCC2)CC1)COc1ccc(Br)cc1 ZINC000562998373 565051495 /nfs/dbraw/zinc/05/14/95/565051495.db2.gz GYYIQDAHDXGBLG-QGZVFWFLSA-N 1 0 383.330 2.795 20 0 GFADRO CC(C)[C@H]([NH2+]CC1(O)CCS(=O)(=O)CC1)c1ccc(C(F)(F)F)cc1 ZINC000537124292 565053190 /nfs/dbraw/zinc/05/31/90/565053190.db2.gz KDVAFHAHARRSFI-HNNXBMFYSA-N 1 0 379.444 2.932 20 0 GFADRO CC[NH+]1CCC(N(C)S(=O)(=O)Cc2ccc(Br)cc2)CC1 ZINC000470767389 565055601 /nfs/dbraw/zinc/05/56/01/565055601.db2.gz VLYOHUCPVYOSBV-UHFFFAOYSA-N 1 0 375.332 2.695 20 0 GFADRO CC(C)[C@H](CN(Cc1ccc(Cl)c(Cl)c1)C(=O)CNC(N)=O)[NH+](C)C ZINC000537270640 565056327 /nfs/dbraw/zinc/05/63/27/565056327.db2.gz GIYHZKVBRXNAAX-HNNXBMFYSA-N 1 0 389.327 2.577 20 0 GFADRO C[NH2+]C[C@H]1CCCN1S(=O)(=O)Cc1ccc(Cl)cc1Br ZINC000584412472 565079092 /nfs/dbraw/zinc/07/90/92/565079092.db2.gz YLXOCNKSOCAFRO-GFCCVEGCSA-N 1 0 381.723 2.616 20 0 GFADRO O=C(NCC1=CC[NH2+]CC1)c1ccc(Br)c(OC(F)(F)F)c1 ZINC000584345671 565076641 /nfs/dbraw/zinc/07/66/41/565076641.db2.gz NDKCNYHIJBUNHU-UHFFFAOYSA-N 1 0 379.176 2.997 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)c1cn(Cc2ccc(Cl)cc2Cl)nn1 ZINC000613657444 565076706 /nfs/dbraw/zinc/07/67/06/565076706.db2.gz BBTQFYAEZCZIBX-GDBMZVCRSA-N 1 0 382.295 2.846 20 0 GFADRO C[C@H](C[C@H]1CCOC1)[NH2+][C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000684676555 565079188 /nfs/dbraw/zinc/07/91/88/565079188.db2.gz BUVBFOHRFDPDML-GRYCIOLGSA-N 1 0 391.331 2.562 20 0 GFADRO Cc1cc(Br)cc(C(=O)N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)c1C ZINC000613790938 565080351 /nfs/dbraw/zinc/08/03/51/565080351.db2.gz WBCDVIMKMPRDRA-ZDUSSCGKSA-N 1 0 383.330 2.983 20 0 GFADRO CC(=O)N1CCC[C@@H](C[NH2+]C[C@@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000584465674 565081541 /nfs/dbraw/zinc/08/15/41/565081541.db2.gz VTIYEAOAFHBTPN-DZGCQCFKSA-N 1 0 375.296 2.581 20 0 GFADRO O[C@@H]1CCC[C@H]1[NH+]1CCN(Cc2c(F)ccc(Br)c2F)CC1 ZINC000684770608 565082603 /nfs/dbraw/zinc/08/26/03/565082603.db2.gz VUBDRMFCNXWHDR-HUUCEWRRSA-N 1 0 375.257 2.758 20 0 GFADRO CC[NH+]1CCN(CC(C)(C)NC(=O)c2cc(F)c(Cl)c(N)c2Cl)CC1 ZINC000636009731 565087346 /nfs/dbraw/zinc/08/73/46/565087346.db2.gz YNRUHWOGLXRXNA-UHFFFAOYSA-N 1 0 391.318 2.861 20 0 GFADRO CCN(CC[C@@H]1CC[NH2+]C1)S(=O)(=O)c1ccc(Br)c(C)c1 ZINC000584585442 565089141 /nfs/dbraw/zinc/08/91/41/565089141.db2.gz DVZYVLRTSSFFDO-ZDUSSCGKSA-N 1 0 375.332 2.768 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000584589763 565089605 /nfs/dbraw/zinc/08/96/05/565089605.db2.gz PKYNSQRJANOTKE-DGCLKSJQSA-N 1 0 377.286 2.753 20 0 GFADRO COC1CC[NH+](CCNC(=O)C(C)(C)c2ccccc2Br)CC1 ZINC000684973447 565091303 /nfs/dbraw/zinc/09/13/03/565091303.db2.gz HFCFFPZPESALHV-UHFFFAOYSA-N 1 0 383.330 2.954 20 0 GFADRO C[NH+](C)C[C@]1(O)CCCN(C(=O)c2cc3c(cncc3Br)s2)C1 ZINC000614071186 565094575 /nfs/dbraw/zinc/09/45/75/565094575.db2.gz PADCMWBQDXPWEL-MRXNPFEDSA-N 1 0 398.326 2.588 20 0 GFADRO O[C@H]1CCCC[C@H]1[NH+]1CCC(NCc2c(F)cncc2Br)CC1 ZINC000657401766 565099686 /nfs/dbraw/zinc/09/96/86/565099686.db2.gz XNJHFYNIBXPBOX-SJORKVTESA-N 1 0 386.309 2.841 20 0 GFADRO [NH3+]Cc1cc(C(=O)NC2(c3cccc(Br)c3)CCOCC2)ccn1 ZINC000584833817 565100534 /nfs/dbraw/zinc/10/05/34/565100534.db2.gz QVFNDNJGIFURDB-UHFFFAOYSA-N 1 0 390.281 2.739 20 0 GFADRO CS(=O)(=O)N[C@@H]1CCCC[C@@H]1C[NH2+]Cc1cc(F)ccc1OC(F)F ZINC000657464905 565102478 /nfs/dbraw/zinc/10/24/78/565102478.db2.gz SZTLSKUDDAFHBJ-BXUZGUMPSA-N 1 0 380.432 2.625 20 0 GFADRO CC1CC[NH+]([C@H](CNS(=O)(=O)[C@H]2CCOC[C@@H]2C)c2cccs2)CC1 ZINC000685290284 565103214 /nfs/dbraw/zinc/10/32/14/565103214.db2.gz VPTXBUWEBJLKDC-JZXOWHBKSA-N 1 0 386.583 2.866 20 0 GFADRO COCc1csc(C[NH2+]CCNC(=O)c2ccc(Br)cn2)c1 ZINC000657564606 565108569 /nfs/dbraw/zinc/10/85/69/565108569.db2.gz UIESAUMLBMNEJH-UHFFFAOYSA-N 1 0 384.299 2.572 20 0 GFADRO CCOc1ccccc1C[NH2+]CCNC(=O)c1ccc(Br)cn1 ZINC000657563345 565108623 /nfs/dbraw/zinc/10/86/23/565108623.db2.gz MPYDPWKAGWIUPI-UHFFFAOYSA-N 1 0 378.270 2.762 20 0 GFADRO CC[NH+](CC)CCS(=O)(=O)N[C@H](C)Cc1cc(Br)ccc1F ZINC000685594986 565114424 /nfs/dbraw/zinc/11/44/24/565114424.db2.gz OPTHTXWYOAEAQF-GFCCVEGCSA-N 1 0 395.338 2.780 20 0 GFADRO C[C@@H](CC(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2)c1ccc(F)c(Br)c1 ZINC000614502908 565116938 /nfs/dbraw/zinc/11/69/38/565116938.db2.gz DTZHBAYMXLHLAN-DZGCQCFKSA-N 1 0 398.320 2.588 20 0 GFADRO CC(C)[C@@H](NC(=O)c1ccccc1Br)C(=O)NCC[N@H+](C)C(C)C ZINC000586840925 565119251 /nfs/dbraw/zinc/11/92/51/565119251.db2.gz UHAKBDUIYIVTFI-MRXNPFEDSA-N 1 0 398.345 2.660 20 0 GFADRO OC(C[NH2+]Cc1ccc(Br)cc1N1CCOCC1)(C1CC1)C1CC1 ZINC000657699283 565120567 /nfs/dbraw/zinc/12/05/67/565120567.db2.gz HDURXICCSUQXDX-UHFFFAOYSA-N 1 0 395.341 2.926 20 0 GFADRO COc1c(Cl)cc(NC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1Cl ZINC000587345000 565120688 /nfs/dbraw/zinc/12/06/88/565120688.db2.gz RSNBVNMPZIZVAE-ZYHUDNBSSA-N 1 0 386.279 2.684 20 0 GFADRO Cc1cncc(CC[NH2+]Cc2ccc(Br)cc2N2CCOCC2)n1 ZINC000657713722 565122578 /nfs/dbraw/zinc/12/25/78/565122578.db2.gz VYQTWSQUDKAHLH-UHFFFAOYSA-N 1 0 391.313 2.716 20 0 GFADRO Cc1c(F)c(Br)ccc1NC(=O)C(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000657723268 565123580 /nfs/dbraw/zinc/12/35/80/565123580.db2.gz QLVREMYJZDFDHZ-GXSJLCMTSA-N 1 0 398.276 2.577 20 0 GFADRO C[N@@H+]1CC[C@@H](C(=O)N(CCc2ccc(Cl)cc2)C[C@H](O)C(F)(F)F)C1 ZINC000685863510 565127345 /nfs/dbraw/zinc/12/73/45/565127345.db2.gz OIMRTZKAXJZMEB-HIFRSBDPSA-N 1 0 378.822 2.586 20 0 GFADRO CNC(=O)CN1CCC([NH2+][C@@H](C)c2ccc(Br)c(Cl)c2)CC1 ZINC000657833567 565132910 /nfs/dbraw/zinc/13/29/10/565132910.db2.gz HFSFLYNWXOUWNZ-NSHDSACASA-N 1 0 388.737 2.964 20 0 GFADRO COCCN(Cc1sccc1Br)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000636988098 565133550 /nfs/dbraw/zinc/13/35/50/565133550.db2.gz GCNXOGAEUSETPF-LBPRGKRZSA-N 1 0 390.347 2.811 20 0 GFADRO CCC[N@H+](CC)C[C@@H](C)NC(=O)C(=O)Nc1cccc(Br)c1F ZINC000657961753 565140813 /nfs/dbraw/zinc/14/08/13/565140813.db2.gz PVCFNXHZBUXDBL-LLVKDONJSA-N 1 0 388.281 2.763 20 0 GFADRO CC[C@@H](C)[NH2+][C@H](CNC(=O)NCc1c(Br)cnn1C)c1ccco1 ZINC000637139802 565141081 /nfs/dbraw/zinc/14/10/81/565141081.db2.gz OOUFACLEPMEPIL-DGCLKSJQSA-N 1 0 398.305 2.704 20 0 GFADRO Cc1nnc(CCNC(=O)N[C@H]2CCN(C)[C@@H]2c2ccc(Cl)cc2)s1 ZINC000637227799 565145855 /nfs/dbraw/zinc/14/58/55/565145855.db2.gz JKGRHPQQVJHLOP-GOEBONIOSA-N 1 0 379.917 2.787 20 0 GFADRO C[NH+](C)C[C@H](NC(=O)NCC1(CC(N)=O)CC1)c1ccc(Cl)c(Cl)c1 ZINC000637231810 565146039 /nfs/dbraw/zinc/14/60/39/565146039.db2.gz GFPNPAOFMIXLSA-AWEZNQCLSA-N 1 0 387.311 2.551 20 0 GFADRO Cc1c(Br)cccc1NC(=O)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000589000648 565146445 /nfs/dbraw/zinc/14/64/45/565146445.db2.gz SNLISTQUZZYPEJ-AWEZNQCLSA-N 1 0 394.313 2.783 20 0 GFADRO COc1ccc(C[C@@H](CO)C[NH2+][C@H]2COC3(CCC3)C2)cc1Br ZINC000658028475 565146698 /nfs/dbraw/zinc/14/66/98/565146698.db2.gz IUGOXIFACUWAMD-HUUCEWRRSA-N 1 0 384.314 2.910 20 0 GFADRO COc1ccc(C[C@@H](CO)C[NH2+][C@@H]2CCCn3nccc32)cc1Br ZINC000658029665 565146869 /nfs/dbraw/zinc/14/68/69/565146869.db2.gz SFNZMAASLGFMDW-GDBMZVCRSA-N 1 0 394.313 2.930 20 0 GFADRO CC(C)[NH+]1CCC(C(=O)N2CC[C@H](Oc3cncc(Br)c3)C2)CC1 ZINC000615127848 565147557 /nfs/dbraw/zinc/14/75/57/565147557.db2.gz UISOFOUEMGZYQH-INIZCTEOSA-N 1 0 396.329 2.944 20 0 GFADRO Cc1cc(Br)c(C(=O)NC[C@@H]([NH3+])C2CC2)cc1Br ZINC000638155887 565186573 /nfs/dbraw/zinc/18/65/73/565186573.db2.gz WLJFPOYPQQTGSN-GFCCVEGCSA-N 1 0 376.092 2.987 20 0 GFADRO Cn1ccnc1[C@H]([NH2+]CCC1(CS(C)(=O)=O)CC1)c1ccc(Cl)cc1 ZINC000658080378 565149343 /nfs/dbraw/zinc/14/93/43/565149343.db2.gz YWKOZFLWDJRWIW-MRXNPFEDSA-N 1 0 381.929 2.967 20 0 GFADRO C[N@@H+]1C[C@H]2CCN(C(=O)c3cc(-c4cccc(Br)c4)no3)[C@@H]2C1 ZINC000615182103 565149400 /nfs/dbraw/zinc/14/94/00/565149400.db2.gz GDWXIDSHCUNXGQ-IUODEOHRSA-N 1 0 376.254 2.880 20 0 GFADRO CC1(C)C[C@H]([NH2+]C[C@@]2(OCCO)CCOC2)c2cc(Br)ccc21 ZINC000658144089 565153521 /nfs/dbraw/zinc/15/35/21/565153521.db2.gz KMMKNNSWMFUZEB-WMZOPIPTSA-N 1 0 384.314 2.929 20 0 GFADRO Cc1cc(Br)cc(C)c1S(=O)(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000589170372 565153678 /nfs/dbraw/zinc/15/36/78/565153678.db2.gz GWVJPJVZCYDMFA-OAHLLOKOSA-N 1 0 387.343 2.925 20 0 GFADRO C[C@@H](C(=O)Nc1cccc(Br)c1)[N@@H+]1CCC[C@H](CCC(N)=O)C1 ZINC000589153551 565153880 /nfs/dbraw/zinc/15/38/80/565153880.db2.gz FIUHIISHCCYPQA-QWHCGFSZSA-N 1 0 382.302 2.754 20 0 GFADRO COC[C@@H]([NH2+][C@@H](C)Cn1cc(Br)ccc1=O)c1cccc(OC)c1 ZINC000658164405 565154307 /nfs/dbraw/zinc/15/43/07/565154307.db2.gz NRPRGQMKQWSSSY-SUMWQHHRSA-N 1 0 395.297 2.985 20 0 GFADRO COc1ccc(NC(=O)NC2CCN(CC[NH+](C)C)CC2)c(Br)c1 ZINC000589200529 565154442 /nfs/dbraw/zinc/15/44/42/565154442.db2.gz KIJKHOCBZJODDH-UHFFFAOYSA-N 1 0 399.333 2.605 20 0 GFADRO Cc1c(Br)ccc(C(=O)N2CCOC[C@@H]2[C@H]2CCC[N@H+]2C)c1F ZINC000615270210 565154479 /nfs/dbraw/zinc/15/44/79/565154479.db2.gz PMMHLSIJROECIX-HUUCEWRRSA-N 1 0 385.277 2.832 20 0 GFADRO C[N@@H+]1CCC[C@@H]1[C@H]1COCCN1C(=O)c1c[nH]c2cccc(Br)c12 ZINC000615269705 565155369 /nfs/dbraw/zinc/15/53/69/565155369.db2.gz MSBWAOGBAZZPGY-HZPDHXFCSA-N 1 0 392.297 2.866 20 0 GFADRO C[NH+](C)C[C@@H](NC(=O)N1CC[C@@H](CC(N)=O)C1)c1ccc(Cl)c(Cl)c1 ZINC000637475741 565158648 /nfs/dbraw/zinc/15/86/48/565158648.db2.gz WNAKPFVLQCFAIS-XHDPSFHLSA-N 1 0 387.311 2.503 20 0 GFADRO CNC(=O)CC1(C[NH2+][C@H](C)Cn2cc(Br)ccc2=O)CCCCC1 ZINC000658306923 565159278 /nfs/dbraw/zinc/15/92/78/565159278.db2.gz GQVCJQZQZVHEHE-CQSZACIVSA-N 1 0 398.345 2.676 20 0 GFADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@@H]1CCN1Cc1ccccc1 ZINC000658349017 565159641 /nfs/dbraw/zinc/15/96/41/565159641.db2.gz QTIJGDLCHZGANF-QAPCUYQASA-N 1 0 390.325 2.863 20 0 GFADRO COC(=O)CN(C)C(=O)CC[NH2+]C(C)(C)c1ccc(Br)c(C)c1 ZINC000589308750 565160361 /nfs/dbraw/zinc/16/03/61/565160361.db2.gz QFCVERYEJWTSSQ-UHFFFAOYSA-N 1 0 385.302 2.604 20 0 GFADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@H](O)[C@H](C)c1ccccc1 ZINC000658340606 565160618 /nfs/dbraw/zinc/16/06/18/565160618.db2.gz PGFPHJOFGRDTFO-CPUCHLNUSA-N 1 0 379.298 2.754 20 0 GFADRO C[C@@H](NS(=O)(=O)c1cc(Cl)ccc1OC(F)(F)F)[C@H]1CCC[NH2+]C1 ZINC000658365647 565161443 /nfs/dbraw/zinc/16/14/43/565161443.db2.gz UFQIVKOYPHJBGF-ZJUUUORDSA-N 1 0 386.823 2.905 20 0 GFADRO C[NH2+][C@@H]1CCN(S(=O)(=O)c2cc(Cl)c(Cl)cc2Br)C1 ZINC000658363920 565161914 /nfs/dbraw/zinc/16/19/14/565161914.db2.gz XNIVQCKUMSCLDP-SSDOTTSWSA-N 1 0 388.114 2.738 20 0 GFADRO O=S(=O)(NC1CC[NH2+]CC1)c1cc(Cl)c(Cl)cc1Br ZINC000658360823 565161963 /nfs/dbraw/zinc/16/19/63/565161963.db2.gz RKPOXROLWVEMEH-UHFFFAOYSA-N 1 0 388.114 2.786 20 0 GFADRO CCCOc1ccc(Br)cc1S(=O)(=O)N1CC[NH2+]CC1(C)C ZINC000658370035 565162587 /nfs/dbraw/zinc/16/25/87/565162587.db2.gz OZJIISWODKSSSF-UHFFFAOYSA-N 1 0 391.331 2.610 20 0 GFADRO O=S(=O)(c1cc(Cl)cc(Br)c1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000658374626 565163485 /nfs/dbraw/zinc/16/34/85/565163485.db2.gz ZGTQYPRRTQKCFA-GFCCVEGCSA-N 1 0 379.707 2.618 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H]2CN(S(=O)(=O)c3cc(Cl)cc(Br)c3)C[C@@H]21 ZINC000658376155 565163564 /nfs/dbraw/zinc/16/35/64/565163564.db2.gz QQLACBAQWSIMER-BIGNPOOSSA-N 1 0 393.734 2.850 20 0 GFADRO CCCOc1ccc(Br)cc1S(=O)(=O)N1CC[NH2+][C@@H](C)[C@@H]1C ZINC000658378122 565164670 /nfs/dbraw/zinc/16/46/70/565164670.db2.gz LTZXSNXKJRXUTI-RYUDHWBXSA-N 1 0 391.331 2.609 20 0 GFADRO CCCOc1ccc(Br)cc1S(=O)(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000658383983 565165844 /nfs/dbraw/zinc/16/58/44/565165844.db2.gz RKCLAPMADWLUFA-MNOVXSKESA-N 1 0 379.320 2.642 20 0 GFADRO O=S(=O)(c1cc(Cl)cc(Br)c1)N1CCC2(CC[NH2+]2)CC1 ZINC000658382863 565165865 /nfs/dbraw/zinc/16/58/65/565165865.db2.gz YEPIXSXNXACTLN-UHFFFAOYSA-N 1 0 379.707 2.619 20 0 GFADRO [NH3+][C@@H]1CCO[C@H](C2CCN(S(=O)(=O)Cc3cc(F)ccc3Cl)CC2)C1 ZINC000658382461 565166034 /nfs/dbraw/zinc/16/60/34/565166034.db2.gz KNQHFJNJXKBNGX-WBVHZDCISA-N 1 0 390.908 2.527 20 0 GFADRO C[C@@H]1CCCN(S(=O)(=O)c2ccccc2Br)[C@@H]1CCC[NH3+] ZINC000658397041 565166873 /nfs/dbraw/zinc/16/68/73/565166873.db2.gz ANBZBXUTFPYTNV-TZMCWYRMSA-N 1 0 375.332 2.977 20 0 GFADRO O=S(=O)(N[C@@H]1CC[NH2+]C2(CCC2)C1)c1cccc(Br)c1F ZINC000658402453 565167677 /nfs/dbraw/zinc/16/76/77/565167677.db2.gz OMJNDMIDLPRUPE-SNVBAGLBSA-N 1 0 377.279 2.541 20 0 GFADRO Cc1nc2ccc(Br)cn2c1C(=O)N1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000615602079 565167790 /nfs/dbraw/zinc/16/77/90/565167790.db2.gz KDQLQKSKISJNEE-GOSISDBHSA-N 1 0 391.313 2.963 20 0 GFADRO CC(C)[C@H]([NH3+])CCNS(=O)(=O)Cc1cc(Cl)ccc1Br ZINC000658406461 565168192 /nfs/dbraw/zinc/16/81/92/565168192.db2.gz BSPGQISREZDVQW-CYBMUJFWSA-N 1 0 383.739 2.895 20 0 GFADRO CC(C)[C@H]([NH3+])CCNS(=O)(=O)Cc1ccc(Br)cc1Cl ZINC000658407483 565168452 /nfs/dbraw/zinc/16/84/52/565168452.db2.gz SHIPMPDYNFMHPJ-CYBMUJFWSA-N 1 0 383.739 2.895 20 0 GFADRO CSC1(CNC(=O)NCc2c(F)c(F)cc(F)c2F)CC[NH+](C)CC1 ZINC000589643321 565169098 /nfs/dbraw/zinc/16/90/98/565169098.db2.gz XILAVYCSZLXPSQ-UHFFFAOYSA-N 1 0 379.423 2.870 20 0 GFADRO C[C@H](CCNC(=O)C(=O)N1CC(C)(C)c2ccc(Br)cc21)[NH+](C)C ZINC000658429774 565169071 /nfs/dbraw/zinc/16/90/71/565169071.db2.gz WOUFBIKGYGOIPM-GFCCVEGCSA-N 1 0 396.329 2.530 20 0 GFADRO CCN(C(=O)C(=O)Nc1cc(Cl)c(OC)c(Cl)c1)[C@H]1CC[N@H+](CC)C1 ZINC000658467792 565171390 /nfs/dbraw/zinc/17/13/90/565171390.db2.gz QAQGBLWUDOTWGI-LBPRGKRZSA-N 1 0 388.295 2.883 20 0 GFADRO C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(I)c(Cl)c3)[C@@H]2C1 ZINC000590043735 565175936 /nfs/dbraw/zinc/17/59/36/565175936.db2.gz DUWAPSQQBMTXHG-GXFFZTMASA-N 1 0 390.652 2.721 20 0 GFADRO CN1C[C@H]2CC[N@H+](CCCOc3cccc(I)c3)[C@H]2C1 ZINC000590010610 565176591 /nfs/dbraw/zinc/17/65/91/565176591.db2.gz LPBSLESMBREWCV-CJNGLKHVSA-N 1 0 386.277 2.696 20 0 GFADRO COC(=O)c1cccc(Br)c1CN1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000590107630 565176993 /nfs/dbraw/zinc/17/69/93/565176993.db2.gz PHAVJSCSNVDDSM-AWEZNQCLSA-N 1 0 397.313 2.532 20 0 GFADRO O=C(CCC1C[NH2+]C1)NCC1(c2cccc(Br)c2)CCOCC1 ZINC000637938295 565177085 /nfs/dbraw/zinc/17/70/85/565177085.db2.gz QNVAJZNCEBXZNM-UHFFFAOYSA-N 1 0 381.314 2.613 20 0 GFADRO Cc1cc(C[NH3+])oc1C(=O)NCCC(=O)Nc1ccc(Br)cc1 ZINC000637936852 565177720 /nfs/dbraw/zinc/17/77/20/565177720.db2.gz HOTQPMNCCZYIEF-UHFFFAOYSA-N 1 0 380.242 2.568 20 0 GFADRO [NH3+]Cc1ncc(C(=O)NC2(c3ccc(Br)cc3)CCCC2)cn1 ZINC000637934568 565177745 /nfs/dbraw/zinc/17/77/45/565177745.db2.gz FDCOWEGYWCBZLR-UHFFFAOYSA-N 1 0 375.270 2.897 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc(-c4cccc(Br)c4)no3)C[C@@H]21 ZINC000615848619 565178086 /nfs/dbraw/zinc/17/80/86/565178086.db2.gz FDSRGTZOYQCHDP-DOMZBBRYSA-N 1 0 376.254 2.880 20 0 GFADRO O=C(CCC1C[NH2+]C1)Nc1ccc(CCn2cc(Br)cn2)cc1 ZINC000638013861 565181521 /nfs/dbraw/zinc/18/15/21/565181521.db2.gz IPQZAJTVZWWMIJ-UHFFFAOYSA-N 1 0 377.286 2.826 20 0 GFADRO C[C@H](NC(=O)C1=CC[C@H]([NH3+])C1)c1nc(-c2ccc(Br)cc2)no1 ZINC000638046041 565182175 /nfs/dbraw/zinc/18/21/75/565182175.db2.gz XOGWLUYFBMGVMS-ZANVPECISA-N 1 0 377.242 2.724 20 0 GFADRO CC[C@H]1CN(C(C)=O)[C@@H](CC)CN1Cc1cnn2cc(Br)cnc12 ZINC000638121464 565185155 /nfs/dbraw/zinc/18/51/55/565185155.db2.gz LOFDRPZXYQEJON-HOTGVXAUSA-N 1 0 394.317 2.713 20 0 GFADRO O=C(NCCC[NH+]1CCCC1)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000616020392 565186257 /nfs/dbraw/zinc/18/62/57/565186257.db2.gz UDJHDGCEWJVSBI-UHFFFAOYSA-N 1 0 386.327 2.706 20 0 GFADRO Cc1cc(I)cc(C(=O)N2CC[C@@H]3C[N@@H+](C)C[C@H]32)c1C ZINC000590446905 565189293 /nfs/dbraw/zinc/18/92/93/565189293.db2.gz XBVWIARLDZZVJG-IUODEOHRSA-N 1 0 384.261 2.684 20 0 GFADRO O=C([C@H]1[C@@H]2c3cccc(Br)c3C[C@H]12)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000638248875 565190040 /nfs/dbraw/zinc/19/00/40/565190040.db2.gz LCCPPJCGZGMTTA-RHGTVDNUSA-N 1 0 375.310 2.793 20 0 GFADRO O=C(c1cc(Br)c2nccn2c1)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000638262794 565190120 /nfs/dbraw/zinc/19/01/20/565190120.db2.gz NSHCCGBTKYQWFW-STQMWFEESA-N 1 0 377.286 2.559 20 0 GFADRO [NH3+]CCC[C@@H](NC(=O)COc1ccc(Br)cn1)c1ccccc1 ZINC000638330932 565192192 /nfs/dbraw/zinc/19/21/92/565192192.db2.gz YDEYGYBLKMGBPE-OAHLLOKOSA-N 1 0 378.270 2.819 20 0 GFADRO CO[C@H]1C[NH2+][C@@](C)(C(=O)N[C@H]2C[C@H](c3ccc(F)c(Br)c3)C2)C1 ZINC000638325576 565192677 /nfs/dbraw/zinc/19/26/77/565192677.db2.gz IEYJMXDNHXUKDU-HPTBWKMGSA-N 1 0 385.277 2.717 20 0 GFADRO COc1cc(NC(=O)[C@@]2(C)C[C@H](OC)C[NH2+]2)c(Cl)cc1Br ZINC000638426765 565196051 /nfs/dbraw/zinc/19/60/51/565196051.db2.gz WJPUJKSGENSUMQ-RMLUDKJBSA-N 1 0 377.666 2.817 20 0 GFADRO C[C@@H]1CCN(C(=O)Cc2ccc(Br)c(Br)c2)C[C@@H]1[NH3+] ZINC000658969451 565197204 /nfs/dbraw/zinc/19/72/04/565197204.db2.gz SSWGXFARXDHPLU-RNCFNFMXSA-N 1 0 390.119 2.950 20 0 GFADRO CC(C)[C@H]1C[NH2+]CCN1C(=O)C1CCN(C(=O)c2ccc(Cl)s2)CC1 ZINC000638487398 565197957 /nfs/dbraw/zinc/19/79/57/565197957.db2.gz OTYSBAQJUKSYEB-CQSZACIVSA-N 1 0 383.945 2.710 20 0 GFADRO [NH3+]C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](Sc2ccc(Br)cc2)C1 ZINC000638474160 565197979 /nfs/dbraw/zinc/19/79/79/565197979.db2.gz PVAIQAKTKZZHGZ-ZNMIVQPWSA-N 1 0 385.327 2.506 20 0 GFADRO C[NH2+]C[C@H](C)NC(=O)Nc1c(-c2ccc(Br)cc2)c(C)nn1C ZINC000659006300 565198339 /nfs/dbraw/zinc/19/83/39/565198339.db2.gz KBAKLMSHEIUXIR-JTQLQIEISA-N 1 0 380.290 2.887 20 0 GFADRO C[NH2+]C[C@@H](C)NC(=O)Nc1cccc(Oc2ncc(Br)cn2)c1 ZINC000659004376 565198484 /nfs/dbraw/zinc/19/84/84/565198484.db2.gz MEDSRLSGDKDUKH-SNVBAGLBSA-N 1 0 380.246 2.761 20 0 GFADRO Cc1cc(Br)c(Cl)cc1NC(=O)C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000659086771 565201352 /nfs/dbraw/zinc/20/13/52/565201352.db2.gz KHKWHIPDPPTLFE-UHFFFAOYSA-N 1 0 388.693 2.560 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)COc2ccccc2Br)CC[C@H]1C(F)(F)F ZINC000638558000 565201491 /nfs/dbraw/zinc/20/14/91/565201491.db2.gz UJBHPPKEIUYFLH-GHMZBOCLSA-N 1 0 395.219 2.814 20 0 GFADRO [NH3+]C1(CNC(=O)C(=O)Nc2ccccc2SCC(F)(F)F)CCCC1 ZINC000659098535 565201914 /nfs/dbraw/zinc/20/19/14/565201914.db2.gz AZMWZPBIBUBWEX-UHFFFAOYSA-N 1 0 375.416 2.667 20 0 GFADRO C[NH2+]CCOCCNC(=O)c1cccnc1Oc1cccc(Br)c1 ZINC000638577946 565202877 /nfs/dbraw/zinc/20/28/77/565202877.db2.gz GQTHWVJMWLYAJR-UHFFFAOYSA-N 1 0 394.269 2.602 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)c2cc(Br)ccc2O)CC[C@@H]1C(F)(F)F ZINC000638560922 565202997 /nfs/dbraw/zinc/20/29/97/565202997.db2.gz VRXARDYPXXZWJL-KWQFWETISA-N 1 0 381.192 2.754 20 0 GFADRO COc1ncc(Br)cc1CNC(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000638558993 565203144 /nfs/dbraw/zinc/20/31/44/565203144.db2.gz AWNFWRBCWAYQJZ-OAHLLOKOSA-N 1 0 378.270 2.949 20 0 GFADRO C[NH2+]CCOCCNC(=O)c1ccc(COc2cccc(Br)c2)o1 ZINC000638580920 565203472 /nfs/dbraw/zinc/20/34/72/565203472.db2.gz BDCJGBPPTJBTCJ-UHFFFAOYSA-N 1 0 397.269 2.587 20 0 GFADRO CCn1cnnc1CC[NH2+][C@H](C)c1ccc(F)c(I)c1 ZINC000590778109 565203731 /nfs/dbraw/zinc/20/37/31/565203731.db2.gz SCIIEEXWSLFVFZ-SNVBAGLBSA-N 1 0 388.228 2.935 20 0 GFADRO Cc1nnsc1C[NH2+]CCC(=O)N(C)Cc1ccccc1Br ZINC000638597473 565204712 /nfs/dbraw/zinc/20/47/12/565204712.db2.gz XCDYIWNLZABOMR-UHFFFAOYSA-N 1 0 383.315 2.747 20 0 GFADRO O=C(CCc1ncc(-c2ccc(Cl)cc2Cl)o1)NC[C@@H]1COCC[NH2+]1 ZINC000638618867 565205064 /nfs/dbraw/zinc/20/50/64/565205064.db2.gz PBNWYPVBONAJLB-GFCCVEGCSA-N 1 0 384.263 2.686 20 0 GFADRO C[C@H]1CC[C@H](NC(=O)CCc2nc(-c3cc(Br)cs3)no2)C[NH2+]1 ZINC000638648738 565205478 /nfs/dbraw/zinc/20/54/78/565205478.db2.gz NPJVRQAETSTVMK-ONGXEEELSA-N 1 0 399.314 2.750 20 0 GFADRO C[C@H]1CC[C@H](NC(=O)c2nn(-c3ccc(F)cc3)cc2Br)C[NH2+]1 ZINC000638643844 565206010 /nfs/dbraw/zinc/20/60/10/565206010.db2.gz COBXEZFWMICYTB-JQWIXIFHSA-N 1 0 381.249 2.644 20 0 GFADRO C[N@@H+]1CCC[C@@H](CNCc2ccc(S(N)(=O)=O)s2)[C@@H]1c1cccs1 ZINC000638671123 565206806 /nfs/dbraw/zinc/20/68/06/565206806.db2.gz MBSRHLXJWVQLBY-BLLLJJGKSA-N 1 0 385.580 2.630 20 0 GFADRO CN(CCOCC[NH3+])C(=O)c1ccc(COc2cccc(Br)c2)o1 ZINC000638679556 565207187 /nfs/dbraw/zinc/20/71/87/565207187.db2.gz XELYEWBCKOGFPP-UHFFFAOYSA-N 1 0 397.269 2.668 20 0 GFADRO [NH3+]C1(C(=O)N[C@H]2CCN(c3ccccc3Br)C2)CC2(CCC2)C1 ZINC000659257956 565208647 /nfs/dbraw/zinc/20/86/47/565208647.db2.gz YZKICYLIBPCIFP-ZDUSSCGKSA-N 1 0 378.314 2.806 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2sc3c(c2Br)CNC3)[C@H](C)C1 ZINC000659260847 565208860 /nfs/dbraw/zinc/20/88/60/565208860.db2.gz QSEGRGBDNJEVLF-ZYHUDNBSSA-N 1 0 386.359 2.916 20 0 GFADRO C[NH+](C)Cc1ccc(C(=O)N[C@](C)(CO)c2ccc(Br)cc2)cn1 ZINC000616829247 565210601 /nfs/dbraw/zinc/21/06/01/565210601.db2.gz MKXFPIWUJMPCLF-GOSISDBHSA-N 1 0 392.297 2.543 20 0 GFADRO Brc1cnc2c(C[NH2+][C@@H]3[C@H]4CCO[C@@H]4C34CCCC4)cnn2c1 ZINC000638791282 565212081 /nfs/dbraw/zinc/21/20/81/565212081.db2.gz KCJCMXXJRYOTAO-KFWWJZLASA-N 1 0 377.286 2.929 20 0 GFADRO [NH3+]Cc1ccc2c(c1)N(C(=O)[C@H]1COc3ccc(Br)cc31)CCO2 ZINC000638805402 565212211 /nfs/dbraw/zinc/21/22/11/565212211.db2.gz HRMYSSLMVNQWHB-AWEZNQCLSA-N 1 0 389.249 2.809 20 0 GFADRO CN(C[C@@H](O)COc1cc(Cl)cc(Cl)c1)C(=O)[C@@H]1CCC[NH2+]CC1 ZINC000638828560 565212647 /nfs/dbraw/zinc/21/26/47/565212647.db2.gz VNOTVPWLUOOJFH-IUODEOHRSA-N 1 0 375.296 2.581 20 0 GFADRO CC[C@@]1([NH2+]CC(=O)Nc2c(Cl)cc(Cl)cc2C(=O)OC)CCOC1 ZINC000616865553 565213232 /nfs/dbraw/zinc/21/32/32/565213232.db2.gz VIMPFXLLULTIRD-MRXNPFEDSA-N 1 0 375.252 2.877 20 0 GFADRO C[N@@H+]1CC[C@@H](C(=O)NCC2(c3cccc(Br)c3)CCOCC2)C1 ZINC000591097976 565216446 /nfs/dbraw/zinc/21/64/46/565216446.db2.gz MNNVAIHJLJYMLK-CQSZACIVSA-N 1 0 381.314 2.565 20 0 GFADRO CN(CC(C)(C)[NH3+])C(=O)NC[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000659443126 565217898 /nfs/dbraw/zinc/21/78/98/565217898.db2.gz OPATXJQHAJTAAX-CYBMUJFWSA-N 1 0 383.334 2.654 20 0 GFADRO CCOc1cc(Br)c(CC(=O)N2C[C@@H]([NH3+])C[C@H]2C)cc1OCC ZINC000638938240 565218286 /nfs/dbraw/zinc/21/82/86/565218286.db2.gz ABBXLDDWTHGORF-YPMHNXCESA-N 1 0 385.302 2.737 20 0 GFADRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)CCSc2ccccc2Cl)C1 ZINC000591184825 565218702 /nfs/dbraw/zinc/21/87/02/565218702.db2.gz IONVJZGANSGJQY-CQSZACIVSA-N 1 0 383.945 2.526 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)c1cccnc1-n1cc(Br)cn1 ZINC000617007298 565219323 /nfs/dbraw/zinc/21/93/23/565219323.db2.gz PZXUOSWLTVZGIY-ZDUSSCGKSA-N 1 0 392.301 2.632 20 0 GFADRO O=C(Nc1cc(N2CC[NH2+]CC2)ccn1)c1cc(F)ccc1Br ZINC000638987261 565219708 /nfs/dbraw/zinc/21/97/08/565219708.db2.gz NKDXGYTWHCYOKA-UHFFFAOYSA-N 1 0 379.233 2.645 20 0 GFADRO CC(C)(C)OC(=O)CCCC[NH2+]Cc1ccc(S(N)(=O)=O)c(Cl)c1 ZINC000591257639 565219852 /nfs/dbraw/zinc/21/98/52/565219852.db2.gz UVMNOFLGCJVOSL-UHFFFAOYSA-N 1 0 376.906 2.589 20 0 GFADRO [NH3+]CC1(CCNC(=O)N2CCOC[C@@H]2c2ccc(Br)cc2)CC1 ZINC000659559464 565220468 /nfs/dbraw/zinc/22/04/68/565220468.db2.gz NHXOCDFKAYRBKP-OAHLLOKOSA-N 1 0 382.302 2.661 20 0 GFADRO [NH3+]C[C@H]1Cc2ccccc2N(C(=O)c2n[nH]c(C3CC3)c2Br)C1 ZINC000639023980 565220897 /nfs/dbraw/zinc/22/08/97/565220897.db2.gz MXYYSFAWRZFLKD-SNVBAGLBSA-N 1 0 375.270 2.827 20 0 GFADRO O=C(NCC12CC(C1)C[NH2+]2)N1CCC[C@H](Nc2cccc(Br)c2)C1 ZINC000659614839 565220901 /nfs/dbraw/zinc/22/09/01/565220901.db2.gz QUBHSSDJKDROCV-MNQCNDSGSA-N 1 0 393.329 2.787 20 0 GFADRO CCOC(=O)COc1c(Br)cc(C)cc1CNC[C@H]1CCCC[NH2+]1 ZINC000591275644 565221052 /nfs/dbraw/zinc/22/10/52/565221052.db2.gz OAKDZEMOCZPYQH-OAHLLOKOSA-N 1 0 399.329 2.931 20 0 GFADRO C[C@H](CNC(=O)[C@@H]1CCN(c2cc(Cl)ccc2Cl)C1=O)[NH+]1CCCC1 ZINC000591284496 565221199 /nfs/dbraw/zinc/22/11/99/565221199.db2.gz UOYYFPIEVUKWMS-OCCSQVGLSA-N 1 0 384.307 2.947 20 0 GFADRO COC(=O)c1cc(NC(=O)N2CC[C@@H]([C@@H](C)[NH3+])C2)c(Br)cc1F ZINC000591287349 565221928 /nfs/dbraw/zinc/22/19/28/565221928.db2.gz PTOFLZZFEBHCLD-RKDXNWHRSA-N 1 0 388.237 2.576 20 0 GFADRO CO[C@]1(C[NH2+][C@H]2CCN(C)[C@H](c3ccc(Br)cc3)C2)CCOC1 ZINC000639050296 565222059 /nfs/dbraw/zinc/22/20/59/565222059.db2.gz HLGCBFPZNASKGV-BZSNNMDCSA-N 1 0 383.330 2.980 20 0 GFADRO COC(=O)c1cc(F)c(Br)cc1NC(=O)N[C@H]1CCC[NH2+]CC1 ZINC000591303744 565222839 /nfs/dbraw/zinc/22/28/39/565222839.db2.gz UVEAXOQNMJOEAB-VIFPVBQESA-N 1 0 388.237 2.638 20 0 GFADRO C[C@H](C[C@H]1CCCC(=O)N1)[NH2+]C[C@H](CO)Cc1ccccc1Br ZINC000639105743 565225581 /nfs/dbraw/zinc/22/55/81/565225581.db2.gz QKKKNGRCBIWLJF-IIAWOOMASA-N 1 0 383.330 2.637 20 0 GFADRO OCC[NH+]1CCN(Cc2cccc(OCC(F)(F)F)c2Br)CC1 ZINC000659829531 565225616 /nfs/dbraw/zinc/22/56/16/565225616.db2.gz SGIFAGNWNRGHNJ-UHFFFAOYSA-N 1 0 397.235 2.500 20 0 GFADRO Brc1cnc2c(C[NH2+]C3CCN(c4nccs4)CC3)cnn2c1 ZINC000639133917 565227365 /nfs/dbraw/zinc/22/73/65/565227365.db2.gz CADAZIZTKREJRS-UHFFFAOYSA-N 1 0 393.314 2.707 20 0 GFADRO COc1cc(C[C@@H](C)[NH2+][C@@H](C(N)=O)c2cccc(Br)c2)ccn1 ZINC000639123075 565227549 /nfs/dbraw/zinc/22/75/49/565227549.db2.gz IDOSCLQWIZLUDV-BDJLRTHQSA-N 1 0 378.270 2.600 20 0 GFADRO C[N@H+](CCNS(=O)(=O)c1ccc(OCC(F)(F)F)cc1)C1CCCC1 ZINC000591398569 565228461 /nfs/dbraw/zinc/22/84/61/565228461.db2.gz PAQUOZFTOYQRSA-UHFFFAOYSA-N 1 0 380.432 2.780 20 0 GFADRO C[NH+](C)CCN(Cc1cccc(Cl)c1)S(=O)(=O)c1ccc(N)cc1F ZINC000659895174 565229456 /nfs/dbraw/zinc/22/94/56/565229456.db2.gz HQQRUAYGHNRLAO-UHFFFAOYSA-N 1 0 385.892 2.814 20 0 GFADRO COc1nsc(CN(CC[NH+](C)C)Cc2ccccn2)c1Br ZINC000639171987 565230361 /nfs/dbraw/zinc/23/03/61/565230361.db2.gz JUVUYFRASNOANP-UHFFFAOYSA-N 1 0 385.331 2.873 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+][C@@H](CCO)c2ccc(Cl)c(Cl)c2)cc1 ZINC000639161821 565230598 /nfs/dbraw/zinc/23/05/98/565230598.db2.gz NDIWOCZLWWNFRQ-INIZCTEOSA-N 1 0 389.304 2.854 20 0 GFADRO C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+]1CCC[C@H](CCO)C1 ZINC000591472003 565231147 /nfs/dbraw/zinc/23/11/47/565231147.db2.gz FYWHMFHGMJFMFS-LSDHHAIUSA-N 1 0 383.330 2.890 20 0 GFADRO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)c1c[nH]c2ncc(Br)cc12 ZINC000659927388 565232607 /nfs/dbraw/zinc/23/26/07/565232607.db2.gz JEQDCMBXQBGFNW-DGCLKSJQSA-N 1 0 377.286 2.677 20 0 GFADRO COc1nsc(C[NH2+]C2CCC(CS(C)(=O)=O)CC2)c1Br ZINC000639213292 565233115 /nfs/dbraw/zinc/23/31/15/565233115.db2.gz HFFMKBNRNHRSQI-UHFFFAOYSA-N 1 0 397.360 2.607 20 0 GFADRO CN1CC[C@@H]([NH2+]C[C@H]2CC[C@@H](CO)O2)C[C@@H]1c1ccc(Br)cc1 ZINC000639206186 565233120 /nfs/dbraw/zinc/23/31/20/565233120.db2.gz NVIMJMZEWOLQFV-ZJPYXAASSA-N 1 0 383.330 2.714 20 0 GFADRO CC[C@@H](COCC(F)(F)F)[NH2+]Cc1cnn2cc(Br)cnc12 ZINC000639217495 565233140 /nfs/dbraw/zinc/23/31/40/565233140.db2.gz UJLOJMAYJGBMKP-NSHDSACASA-N 1 0 381.196 2.939 20 0 GFADRO CC(C)(CO)[C@@H]([NH2+]Cc1ccc(Cl)c(S(N)(=O)=O)c1)c1cccs1 ZINC000639244674 565235272 /nfs/dbraw/zinc/23/52/72/565235272.db2.gz PUWDMPHQAVUGQV-HNNXBMFYSA-N 1 0 388.942 2.898 20 0 GFADRO O=C(NCCC[C@@H]1CCC[NH2+]1)c1cc(F)c(F)cc1I ZINC000591684826 565236793 /nfs/dbraw/zinc/23/67/93/565236793.db2.gz IEZMPQAVGUITCO-VIFPVBQESA-N 1 0 394.203 2.831 20 0 GFADRO CCn1cc(C[NH2+][C@H]2CCN(C)[C@@H](c3ccc(Br)cc3)C2)nn1 ZINC000639308965 565238751 /nfs/dbraw/zinc/23/87/51/565238751.db2.gz IGHAGIMSBXCDTM-DOTOQJQBSA-N 1 0 378.318 2.986 20 0 GFADRO CCCNC(=O)[C@H]1CCC[N@H+](Cc2cn3cc(Br)ccc3n2)C1 ZINC000591809163 565239810 /nfs/dbraw/zinc/23/98/10/565239810.db2.gz REXYRSKWRBYGJD-ZDUSSCGKSA-N 1 0 379.302 2.835 20 0 GFADRO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)[C@@H]1CCc2cc(Br)ccc21 ZINC000617502693 565242363 /nfs/dbraw/zinc/24/23/63/565242363.db2.gz YXVRASJFYMVFIK-KBXCAEBGSA-N 1 0 396.373 2.867 20 0 GFADRO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)c1c[nH]c2cccc(Br)c12 ZINC000617506231 565243699 /nfs/dbraw/zinc/24/36/99/565243699.db2.gz GKEUIJDCAVUXIS-ZDUSSCGKSA-N 1 0 395.345 2.932 20 0 GFADRO O=C1[C@H](N2CCO[C@@H](c3ccc(Br)cc3)C2)CCN1C1CCC1 ZINC000639459203 565246404 /nfs/dbraw/zinc/24/64/04/565246404.db2.gz JPUPKQYRUHYYKX-IAGOWNOFSA-N 1 0 379.298 2.976 20 0 GFADRO O=C1C[C@H]([C@H]2CCCC[N@H+]2C[C@H](O)COc2cc(Cl)cc(Cl)c2)CN1 ZINC000639552563 565249770 /nfs/dbraw/zinc/24/97/70/565249770.db2.gz BCCAGAXMSGFEIW-YLQAJVPDSA-N 1 0 387.307 2.724 20 0 GFADRO CC[N@@H+]1CC[C@H]2OCCN(C[C@@H](O)COc3cc(Cl)cc(Cl)c3)[C@H]2C1 ZINC000639657467 565254073 /nfs/dbraw/zinc/25/40/73/565254073.db2.gz ZKKHRLXQVJHIEH-BPQIPLTHSA-N 1 0 389.323 2.528 20 0 GFADRO C[NH+]1CCC2(CC1)CN(C[C@H](O)COc1cc(Cl)cc(Cl)c1)CCO2 ZINC000639697577 565255057 /nfs/dbraw/zinc/25/50/57/565255057.db2.gz CNIRWHQBVNUFDP-INIZCTEOSA-N 1 0 389.323 2.530 20 0 GFADRO COc1ccc(C[N@@H+]2CC[C@H](c3cc(=O)[nH]c(=O)[nH]3)C2)c(Br)c1 ZINC000639715177 565256556 /nfs/dbraw/zinc/25/65/56/565256556.db2.gz ZFKJYHOTIDWGDJ-NSHDSACASA-N 1 0 380.242 2.648 20 0 GFADRO CN(CCC[NH+](C)C)CCNC(=O)c1cc(Cl)cc(Br)c1F ZINC000617764368 565257223 /nfs/dbraw/zinc/25/72/23/565257223.db2.gz TVBCHPHXEMPOIE-UHFFFAOYSA-N 1 0 394.716 2.855 20 0 GFADRO CN(CCC[NH+](C)C)CCNC(=O)c1ccc(Br)cc1Cl ZINC000617767124 565257933 /nfs/dbraw/zinc/25/79/33/565257933.db2.gz HVTGAXWIOAZUDB-UHFFFAOYSA-N 1 0 376.726 2.716 20 0 GFADRO FC(F)(F)c1ncccc1C[N@H+](CCN1CCOCC1)[C@H]1CCSC1 ZINC000639770736 565258809 /nfs/dbraw/zinc/25/88/09/565258809.db2.gz ROTFIAUNPAQWCF-HNNXBMFYSA-N 1 0 375.460 2.740 20 0 GFADRO C[NH+](C)C[C@@H]1COC2(CCCC2)CN1S(=O)(=O)c1ccc(Cl)s1 ZINC000660149875 565259728 /nfs/dbraw/zinc/25/97/28/565259728.db2.gz GGFGKHHZNXEIHP-GFCCVEGCSA-N 1 0 378.947 2.665 20 0 GFADRO CNC(=O)c1cccc(C[N@@H+]2CC[C@@H](Oc3cncc(Br)c3)C2)c1 ZINC000639771557 565259906 /nfs/dbraw/zinc/25/99/06/565259906.db2.gz DHQJVMGILWVNCG-MRXNPFEDSA-N 1 0 390.281 2.857 20 0 GFADRO CC1(C)C[NH2+][C@H]1C(=O)NCCSCCOc1cccc(Br)c1 ZINC000592140742 565260207 /nfs/dbraw/zinc/26/02/07/565260207.db2.gz POMKEZILLMXOPG-AWEZNQCLSA-N 1 0 387.343 2.675 20 0 GFADRO CCOC(=O)c1cn(C[C@@H]2CC[NH2+]C2)c2cc(Br)ccc2c1=O ZINC000592160458 565260394 /nfs/dbraw/zinc/26/03/94/565260394.db2.gz KLXSYEGDPZQDRU-LLVKDONJSA-N 1 0 379.254 2.550 20 0 GFADRO C[NH+](C)C[C@@H]1COC2(CCCC2)CN1S(=O)(=O)c1cccc(Cl)c1F ZINC000660150855 565260642 /nfs/dbraw/zinc/26/06/42/565260642.db2.gz MCPIYFYFMGRDAL-CYBMUJFWSA-N 1 0 390.908 2.743 20 0 GFADRO C[C@H](C[NH+](C)C)[C@H]1CCCCN1C(=O)Nc1cc(Br)cn(C)c1=O ZINC000639786351 565261207 /nfs/dbraw/zinc/26/12/07/565261207.db2.gz JJSBAPOQCSUTOA-IUODEOHRSA-N 1 0 399.333 2.732 20 0 GFADRO C[NH+](C)CCC[C@@H]1CN(S(=O)(=O)Cc2cc(Cl)cc(Cl)c2)CCO1 ZINC000660157153 565262100 /nfs/dbraw/zinc/26/21/00/565262100.db2.gz NSYKTSTZCYGSSE-MRXNPFEDSA-N 1 0 395.352 2.866 20 0 GFADRO CC[N@H+](CC(=O)N1CCc2sccc2C1)[C@@H]1CCN(CC(F)(F)F)C1 ZINC000639820100 565262939 /nfs/dbraw/zinc/26/29/39/565262939.db2.gz NHQTXEJDADWSAS-CQSZACIVSA-N 1 0 375.460 2.591 20 0 GFADRO COC(=O)CN(CCc1ccc(Cl)cc1Cl)C(=O)[C@H]1C[C@]12CC[NH2+]C2 ZINC000592271537 565265961 /nfs/dbraw/zinc/26/59/61/565265961.db2.gz AUPQVKNCYAKAME-KDOFPFPSSA-N 1 0 385.291 2.537 20 0 GFADRO CCN(C(=O)c1cnc2ncc(Br)cc2c1)[C@@H]1CC[N@H+](CC)C1 ZINC000617924906 565267090 /nfs/dbraw/zinc/26/70/90/565267090.db2.gz AWLJJYFZTMNFJH-OAHLLOKOSA-N 1 0 377.286 2.949 20 0 GFADRO CN1CC(=O)N(CC[NH2+][C@H](CC2CC2)c2cc(F)cc(Br)c2)C1=O ZINC000660335912 565270789 /nfs/dbraw/zinc/27/07/89/565270789.db2.gz LMNYWXIAPUFTBA-OAHLLOKOSA-N 1 0 398.276 2.913 20 0 GFADRO OCC[C@@H]1CCC[N@H+](C[C@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000592391299 565274401 /nfs/dbraw/zinc/27/44/01/565274401.db2.gz RKPCYRNYOVRNPL-JSGCOSHPSA-N 1 0 392.721 2.937 20 0 GFADRO OC[C@@H]1C[N@H+](C[C@H](O)COc2cc(Cl)ccc2Cl)C[C@H]1C(F)(F)F ZINC000640041152 565275452 /nfs/dbraw/zinc/27/54/52/565275452.db2.gz PZRCZNGYDGYDMJ-ZMLRMANQSA-N 1 0 388.213 2.836 20 0 GFADRO COc1ncc(Br)cc1CN1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000660472546 565277967 /nfs/dbraw/zinc/27/79/67/565277967.db2.gz GQXBXKLUBCKPSZ-MRXNPFEDSA-N 1 0 384.318 2.539 20 0 GFADRO O=C(NCc1ccccc1Br)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000660502850 565278956 /nfs/dbraw/zinc/27/89/56/565278956.db2.gz IDCJOUIPAJCMHH-HNNXBMFYSA-N 1 0 382.302 2.502 20 0 GFADRO C[C@@H](NC(=O)c1cnn2c1[C@H](C[NH3+])CCC2)c1ccc(Br)cc1 ZINC000592507049 565280147 /nfs/dbraw/zinc/28/01/47/565280147.db2.gz XYUWWUSTDMUALP-YPMHNXCESA-N 1 0 377.286 2.973 20 0 GFADRO CC(C)[C@H]1CN(C(=O)c2c(F)cccc2I)CC[NH2+]1 ZINC000592543899 565280772 /nfs/dbraw/zinc/28/07/72/565280772.db2.gz WUJVGNRTVMLBOF-GFCCVEGCSA-N 1 0 376.213 2.500 20 0 GFADRO CC(=O)c1nc(CC[NH2+][C@H](CO)c2ccc(Br)c(F)c2)[nH]c1C ZINC000660616120 565285173 /nfs/dbraw/zinc/28/51/73/565285173.db2.gz GVANWIKHGYNBMN-CQSZACIVSA-N 1 0 384.249 2.688 20 0 GFADRO NC(=O)c1cc(NC(=O)NCC2CC[NH+](Cc3cccs3)CC2)cs1 ZINC000640177593 565285588 /nfs/dbraw/zinc/28/55/88/565285588.db2.gz CENUXCACYBGTOF-UHFFFAOYSA-N 1 0 378.523 2.942 20 0 GFADRO NC(=O)c1cc(NC(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)cs1 ZINC000640178165 565285774 /nfs/dbraw/zinc/28/57/74/565285774.db2.gz KKWONGULBCBFKU-GFCCVEGCSA-N 1 0 378.523 2.942 20 0 GFADRO C[NH+]1CCN(CCNC(=O)c2cc(Br)cc3ccccc32)CC1 ZINC000592727859 565290924 /nfs/dbraw/zinc/29/09/24/565290924.db2.gz CXMALPIOOHCZSS-UHFFFAOYSA-N 1 0 376.298 2.580 20 0 GFADRO O=C(Nc1nn(CC(F)(F)F)cc1Cl)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000640302746 565296884 /nfs/dbraw/zinc/29/68/84/565296884.db2.gz OAXQRPFVEUJBOO-NWDGAFQWSA-N 1 0 379.814 3.237 20 0 GFADRO Cc1c(Br)cccc1C[NH+]1CCC(NC(=O)N2CCOCC2)CC1 ZINC000660859586 565297279 /nfs/dbraw/zinc/29/72/79/565297279.db2.gz NREYCQDWSAPRLK-UHFFFAOYSA-N 1 0 396.329 2.764 20 0 GFADRO CCCN(C(=O)c1cc(I)ccc1O)[C@H]1CC[N@H+](C)C1 ZINC000592829547 565299882 /nfs/dbraw/zinc/29/98/82/565299882.db2.gz QERDFSIHDDRMNM-LBPRGKRZSA-N 1 0 388.249 2.553 20 0 GFADRO O=C(C[NH2+][C@@H](C1CC1)C1(CO)CCOCC1)Nc1ccc(Br)cc1 ZINC000661079644 565305611 /nfs/dbraw/zinc/30/56/11/565305611.db2.gz HLAMVIVDDFVAIL-KRWDZBQOSA-N 1 0 397.313 2.545 20 0 GFADRO O=C(C[NH2+][C@H](C1CC1)C1(CO)CCOCC1)Nc1ccccc1Br ZINC000661080020 565305939 /nfs/dbraw/zinc/30/59/39/565305939.db2.gz MDXJIIZYFSKHLX-QGZVFWFLSA-N 1 0 397.313 2.545 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)Nc1ccn(C2CCSCC2)n1)c1cccs1 ZINC000640430039 565308994 /nfs/dbraw/zinc/30/89/94/565308994.db2.gz RUOVCEKFYHISES-AWEZNQCLSA-N 1 0 379.555 3.437 20 0 GFADRO O=C(C[NH2+]C1(c2ccc(Br)cc2)CCCCC1)N1CCNC1=O ZINC000661133807 565309111 /nfs/dbraw/zinc/30/91/11/565309111.db2.gz OHHBEUWQKLDJEI-UHFFFAOYSA-N 1 0 380.286 2.750 20 0 GFADRO COC[C@H]([NH2+]C[C@@H](O)COc1c(Cl)cccc1Cl)C1CCOCC1 ZINC000661160297 565311364 /nfs/dbraw/zinc/31/13/64/565311364.db2.gz KGRSLUUPWFIWON-CJNGLKHVSA-N 1 0 378.296 2.764 20 0 GFADRO O=C1[C@H]([N@H+]2C[C@@H]3C[C@H](O)CC[C@@H]3C2)CCN1c1cccc(Br)c1 ZINC000661205994 565313489 /nfs/dbraw/zinc/31/34/89/565313489.db2.gz RZNGYVFSUMENGD-DLTLXFJOSA-N 1 0 379.298 2.647 20 0 GFADRO C[C@@H](NC(=O)NCC1CC[NH+](CC2CC2)CC1)c1ncc(Br)cn1 ZINC000661233595 565314922 /nfs/dbraw/zinc/31/49/22/565314922.db2.gz BWZFSYRWQQHIED-GFCCVEGCSA-N 1 0 396.333 2.721 20 0 GFADRO Cc1ccc(Br)c(CNC(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)c1 ZINC000661321400 565319180 /nfs/dbraw/zinc/31/91/80/565319180.db2.gz LUIBFNOHKCNPHL-INIZCTEOSA-N 1 0 396.329 2.810 20 0 GFADRO O=C(NCC1=CC[NH2+]CC1)N1CCC(Oc2cccc(Br)c2)CC1 ZINC000640725992 565322420 /nfs/dbraw/zinc/32/24/20/565322420.db2.gz QAVJVKLCURRBIG-UHFFFAOYSA-N 1 0 394.313 2.922 20 0 GFADRO C[C@@H]1[C@@H](c2ccc(Br)cc2)OCCN1C[C@@H](O)C[N@H+](C)C1CC1 ZINC000661516864 565327286 /nfs/dbraw/zinc/32/72/86/565327286.db2.gz PWJBFLAADAXQGY-BVGQSLNGSA-N 1 0 383.330 2.666 20 0 GFADRO C[C@H](C(=O)Nc1ccc(Br)cc1)n1cc(C[C@H]2CCC[NH2+]C2)nn1 ZINC000640800721 565328137 /nfs/dbraw/zinc/32/81/37/565328137.db2.gz IARDGBSQOOSUND-CHWSQXEVSA-N 1 0 392.301 2.782 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)Cn1cc(C[C@@H]2CCC[NH2+]C2)nn1 ZINC000640836113 565330013 /nfs/dbraw/zinc/33/00/13/565330013.db2.gz UVQDDMXORNMAQV-ZDUSSCGKSA-N 1 0 392.301 2.530 20 0 GFADRO C[C@H](NC(=O)C[N@@H+]1CC[C@H]2NC(=O)CC[C@H]2C1)c1ccc(Cl)cc1Cl ZINC000661596551 565330758 /nfs/dbraw/zinc/33/07/58/565330758.db2.gz DIPNCQFTZOATOM-MQIPJXDCSA-N 1 0 384.307 2.771 20 0 GFADRO CN(CCC[NH+](C)C)c1ncnc2cc(I)sc21 ZINC000593467665 565333642 /nfs/dbraw/zinc/33/36/42/565333642.db2.gz APEGVNPKXFZFIM-UHFFFAOYSA-N 1 0 376.267 2.684 20 0 GFADRO CCC(C)(C)NC(=O)[C@H](C)n1cc([C@@H]([NH3+])c2ccc(Br)cc2)nn1 ZINC000640908765 565336192 /nfs/dbraw/zinc/33/61/92/565336192.db2.gz GNIUJBINKORVBH-NHYWBVRUSA-N 1 0 394.317 2.955 20 0 GFADRO C[C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)n1cc([C@@H]([NH3+])[C@@H]2CCCO2)nn1 ZINC000640921785 565337279 /nfs/dbraw/zinc/33/72/79/565337279.db2.gz CWPWEVXSBRTBQQ-TURNYIBQSA-N 1 0 384.267 2.963 20 0 GFADRO CC[C@@](C)([NH3+])c1cn([C@H](C)C(=O)N(C)Cc2ccc(Br)cc2)nn1 ZINC000640926284 565337767 /nfs/dbraw/zinc/33/77/67/565337767.db2.gz PIHYBGSDXJWORW-SJKOYZFVSA-N 1 0 394.317 2.844 20 0 GFADRO O=C(C[NH2+][C@@H]1C[C@H](O)C12CCC2)Nc1c(F)cc(F)cc1Br ZINC000661833277 565340102 /nfs/dbraw/zinc/34/01/02/565340102.db2.gz QIOKGJSXPWUOOC-NEPJUHHUSA-N 1 0 375.213 2.559 20 0 GFADRO O=C(C[NH2+][C@H]1C[C@@H](O)C12CCC2)Nc1c(F)cc(F)cc1Br ZINC000661833278 565340434 /nfs/dbraw/zinc/34/04/34/565340434.db2.gz QIOKGJSXPWUOOC-NWDGAFQWSA-N 1 0 375.213 2.559 20 0 GFADRO O=C(N[C@@H](CO)c1ccc(Cl)cc1C(F)(F)F)N[C@@H]1CCC[NH2+]CC1 ZINC000641041468 565342542 /nfs/dbraw/zinc/34/25/42/565342542.db2.gz CKUHWBBKWWZWNN-RISCZKNCSA-N 1 0 379.810 2.834 20 0 GFADRO CN(Cc1ccc(Br)cc1)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000661971736 565343656 /nfs/dbraw/zinc/34/36/56/565343656.db2.gz GWNYGPBUHHIXIT-KRWDZBQOSA-N 1 0 396.329 2.844 20 0 GFADRO C[NH+](C)CCc1cn(Cc2ccnc(-c3ccc(Br)cc3)n2)nn1 ZINC000641112499 565347204 /nfs/dbraw/zinc/34/72/04/565347204.db2.gz MYRPUSJEIYFXNI-UHFFFAOYSA-N 1 0 387.285 2.650 20 0 GFADRO O=C(CC[N@@H+]1CC[C@@H](CN2CCCC2=O)C1)Nc1ccc(Br)cc1 ZINC000662051667 565347716 /nfs/dbraw/zinc/34/77/16/565347716.db2.gz CWHUWWYKNBADTL-CQSZACIVSA-N 1 0 394.313 2.722 20 0 GFADRO COc1cc(Br)c(C[N@@H+]2CC[C@@H](CN3CCCC3=O)C2)cc1OC ZINC000662061594 565348936 /nfs/dbraw/zinc/34/89/36/565348936.db2.gz UKZLHSKJYCWAMR-CYBMUJFWSA-N 1 0 397.313 2.911 20 0 GFADRO [NH3+][C@@H](c1cn(Cc2ccc(Br)c3cccnc23)nn1)[C@H]1CCCO1 ZINC000641156626 565350204 /nfs/dbraw/zinc/35/02/04/565350204.db2.gz CGHSWSOYXKVMAH-CVEARBPZSA-N 1 0 388.269 2.816 20 0 GFADRO O=C1Nc2ccc(Br)cc2CC[C@H]1n1cc([C@H]2CCC[NH2+]C2)nn1 ZINC000641164381 565350635 /nfs/dbraw/zinc/35/06/35/565350635.db2.gz IOMNCPBNVXNPGC-BLLLJJGKSA-N 1 0 390.285 2.634 20 0 GFADRO CC[C@@](C)([NH3+])c1cn([C@@H]2CCc3cc(Br)ccc3NC2=O)nn1 ZINC000641164618 565351117 /nfs/dbraw/zinc/35/11/17/565351117.db2.gz NMFYYBVNMYUPGJ-CZUORRHYSA-N 1 0 378.274 2.751 20 0 GFADRO C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000662153439 565352814 /nfs/dbraw/zinc/35/28/14/565352814.db2.gz BJWAJBJEAMXYDW-SWLSCSKDSA-N 1 0 386.323 2.851 20 0 GFADRO CCSc1ccc(Cn2cc(CN3CC[NH2+]CC3)nn2)c(Br)c1 ZINC000641187200 565353399 /nfs/dbraw/zinc/35/33/99/565353399.db2.gz QEVOWMFTXUIOEA-UHFFFAOYSA-N 1 0 396.358 2.606 20 0 GFADRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N1CCc2[nH]c3ccc(Br)cc3c2C1 ZINC000641247905 565355644 /nfs/dbraw/zinc/35/56/44/565355644.db2.gz KNVYWPAPCYLYRN-ABAIWWIYSA-N 1 0 391.313 2.996 20 0 GFADRO O=C(NCc1cc(Cl)cc(I)c1)[C@@H]1CCC[NH2+]CC1 ZINC000593907243 565367548 /nfs/dbraw/zinc/36/75/48/565367548.db2.gz NPOPNSVNBITQQY-LLVKDONJSA-N 1 0 392.668 2.951 20 0 GFADRO COC(=O)[C@@H]1C[N@H+](Cc2cc(Br)c3c(c2)OCCO3)C[C@H]1C1CC1 ZINC000593696595 565357028 /nfs/dbraw/zinc/35/70/28/565357028.db2.gz IZIIHOFVWOHOGS-UONOGXRCSA-N 1 0 396.281 2.851 20 0 GFADRO C[C@@H]1CN(C[C@@H](O)C[NH2+]CC(C)(C)c2ccc(Br)cc2)C[C@@H](C)O1 ZINC000619742081 565357533 /nfs/dbraw/zinc/35/75/33/565357533.db2.gz NSPIUIWGSUCEEZ-RKVPGOIHSA-N 1 0 399.373 2.786 20 0 GFADRO [NH3+]C[C@H]1CN(Cc2cccc(OCC(F)(F)F)c2Br)CCO1 ZINC000662267426 565358332 /nfs/dbraw/zinc/35/83/32/565358332.db2.gz VFOPLOLALFKTPO-NSHDSACASA-N 1 0 383.208 2.550 20 0 GFADRO [NH3+][C@H]1CCc2ccccc2N(Cc2cc(=O)n3cc(Br)ccc3n2)C1 ZINC000662303590 565359358 /nfs/dbraw/zinc/35/93/58/565359358.db2.gz XLSFTSLGCJPFBF-HNNXBMFYSA-N 1 0 399.292 2.737 20 0 GFADRO [NH3+][C@H]1CCc2ccccc2N(Cc2nnnn2-c2ccccc2Br)C1 ZINC000662301499 565359390 /nfs/dbraw/zinc/35/93/90/565359390.db2.gz GFCHMIYEHAPKHC-AWEZNQCLSA-N 1 0 399.296 2.705 20 0 GFADRO [NH3+]CC1(CCNC(=O)Nc2ccc(F)cc2I)CC1 ZINC000593760576 565359706 /nfs/dbraw/zinc/35/97/06/565359706.db2.gz SQLYDWRPJZYYPJ-UHFFFAOYSA-N 1 0 377.201 2.681 20 0 GFADRO C[C@@H](C(=O)Nc1ccccc1Br)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662320568 565360358 /nfs/dbraw/zinc/36/03/58/565360358.db2.gz VAUFXXFQPFKYGK-LSDHHAIUSA-N 1 0 398.345 2.819 20 0 GFADRO C[NH+](C)CCC[C@H]1CN(C[C@H](O)COc2ccc(Cl)cc2Cl)CCO1 ZINC000662320809 565360599 /nfs/dbraw/zinc/36/05/99/565360599.db2.gz WPYKNWULKNWQRH-HOTGVXAUSA-N 1 0 391.339 2.776 20 0 GFADRO COc1ccc(Br)cc1CN(C)C(=O)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC000662342735 565361472 /nfs/dbraw/zinc/36/14/72/565361472.db2.gz FMCSGGBRLZCWFF-NSHDSACASA-N 1 0 393.285 2.530 20 0 GFADRO CN(Cc1nc(-c2cccc(Br)c2)no1)[C@H](C[NH3+])C(F)(F)F ZINC000662331472 565362302 /nfs/dbraw/zinc/36/23/02/565362302.db2.gz ROKSMZIZBQXYCQ-SNVBAGLBSA-N 1 0 379.180 2.821 20 0 GFADRO C[C@H](Cc1cccc(Br)c1)NC(=O)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC000662410789 565365930 /nfs/dbraw/zinc/36/59/30/565365930.db2.gz OLLCDMNSCFRVGS-DGCLKSJQSA-N 1 0 377.286 2.610 20 0 GFADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)[C@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000593897622 565366323 /nfs/dbraw/zinc/36/63/23/565366323.db2.gz GLFAJIRMNUMDOS-XEZPLFJOSA-N 1 0 384.307 2.553 20 0 GFADRO [NH3+]C[C@@H]1CCN(C(=O)Cc2ccc(Br)c(Br)c2)C1 ZINC000662407177 565366443 /nfs/dbraw/zinc/36/64/43/565366443.db2.gz UUEALQKWDXPORO-JTQLQIEISA-N 1 0 376.092 2.561 20 0 GFADRO C[N@H+](CCNC(=O)[C@H](N)c1ccccc1Br)Cc1ccccc1 ZINC000662402424 565366544 /nfs/dbraw/zinc/36/65/44/565366544.db2.gz JQWVEBSZVXSEHT-QGZVFWFLSA-N 1 0 376.298 2.697 20 0 GFADRO C[C@@H]1C[NH2+]CCN1C(=O)Cc1ccc(Br)c(Br)c1 ZINC000662405021 565366742 /nfs/dbraw/zinc/36/67/42/565366742.db2.gz VNIKWECWSNSZSC-SECBINFHSA-N 1 0 376.092 2.574 20 0 GFADRO CC(C)C[C@H](C[NH3+])CC(=O)NCc1nnc(-c2ccc(Br)cc2)[nH]1 ZINC000662438952 565367903 /nfs/dbraw/zinc/36/79/03/565367903.db2.gz GLRGMIXCASCHSF-LBPRGKRZSA-N 1 0 394.317 2.862 20 0 GFADRO CC[C@H]([NH2+]C)C(=O)N1CCC(C(=O)Nc2cccc(Br)c2)CC1 ZINC000662433813 565368025 /nfs/dbraw/zinc/36/80/25/565368025.db2.gz ATVVFSYXEJPJFQ-HNNXBMFYSA-N 1 0 382.302 2.624 20 0 GFADRO CN(Cc1ccc(Br)cc1)C(=O)c1cn([C@@H]2CCC[NH2+]CC2)nn1 ZINC000662443405 565368550 /nfs/dbraw/zinc/36/85/50/565368550.db2.gz LQXZNRPTDQTVKS-OAHLLOKOSA-N 1 0 392.301 2.627 20 0 GFADRO O=C(CCCNC(=O)[C@@]1(C(F)(F)F)CC[NH2+]C1)Nc1ccc(Cl)cc1 ZINC000662515278 565373443 /nfs/dbraw/zinc/37/34/43/565373443.db2.gz KGFUTARPRCVOLF-OAHLLOKOSA-N 1 0 377.794 2.717 20 0 GFADRO C[C@H](Cc1c(Cl)cccc1Cl)NC(=O)c1cnnn1C1CC[NH2+]CC1 ZINC000662509476 565373863 /nfs/dbraw/zinc/37/38/63/565373863.db2.gz NWAGSPJNJRNCEW-LLVKDONJSA-N 1 0 382.295 2.870 20 0 GFADRO O=C(NCc1cc(Cl)ccc1Br)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC000662524423 565375167 /nfs/dbraw/zinc/37/51/67/565375167.db2.gz VEVURMDVTXESHZ-VIFPVBQESA-N 1 0 383.677 2.833 20 0 GFADRO Cc1cc(Br)cc(C(=O)N2C[C@H](C[NH3+])C3(C2)CCOCC3)c1C ZINC000662571055 565377055 /nfs/dbraw/zinc/37/70/55/565377055.db2.gz QEGZCNLEQXPPTD-AWEZNQCLSA-N 1 0 381.314 2.893 20 0 GFADRO C[C@H](CCN1CC[NH+](C)CC1)Nc1ncnc(C(F)(F)F)c1Br ZINC000641496876 565377744 /nfs/dbraw/zinc/37/77/44/565377744.db2.gz NXSQDKPMAVFIHJ-SNVBAGLBSA-N 1 0 396.255 2.696 20 0 GFADRO N[C@H](C(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1)c1ccccc1Br ZINC000662587015 565378059 /nfs/dbraw/zinc/37/80/59/565378059.db2.gz UERRJCNODDCIFZ-YOEHRIQHSA-N 1 0 380.330 2.687 20 0 GFADRO [NH3+]C1(CNC(=O)[C@@H](c2ccc(Br)cc2)N2CCCC2)CCCC1 ZINC000662648719 565381086 /nfs/dbraw/zinc/38/10/86/565381086.db2.gz NAWPSTIVTXQFJE-MRXNPFEDSA-N 1 0 380.330 2.974 20 0 GFADRO O=C(Cc1ccc(Br)c(Br)c1)NCC12CC(C1)C[NH2+]2 ZINC000662715631 565383657 /nfs/dbraw/zinc/38/36/57/565383657.db2.gz LBKUVMKVPWDSCH-UHFFFAOYSA-N 1 0 388.103 2.622 20 0 GFADRO O=C(CCc1nc2cc(Br)ccc2s1)NCC12CC(C1)C[NH2+]2 ZINC000662718095 565383722 /nfs/dbraw/zinc/38/37/22/565383722.db2.gz KYIQSUMSPMCSRL-UHFFFAOYSA-N 1 0 380.311 2.860 20 0 GFADRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)[C@@H]3CCO[C@H]3c3cncc(Br)c3)C[C@@H]21 ZINC000662765430 565384354 /nfs/dbraw/zinc/38/43/54/565384354.db2.gz GECPEOUPDMWOKJ-ULSVASMSSA-N 1 0 394.313 2.508 20 0 GFADRO C[NH+]1CCC2(CCN(S(=O)(=O)c3ccc(F)c(Br)c3)C2)CC1 ZINC000641587407 565384904 /nfs/dbraw/zinc/38/49/04/565384904.db2.gz PGVIZSRGBZFMJP-UHFFFAOYSA-N 1 0 391.306 2.695 20 0 GFADRO CC(C)([NH3+])c1cc(C(=O)N[C@@H]2COc3cc(F)c(Br)cc32)on1 ZINC000662812497 565385543 /nfs/dbraw/zinc/38/55/43/565385543.db2.gz UIZUODOJMKDBSS-SNVBAGLBSA-N 1 0 384.205 2.634 20 0 GFADRO O=C(N[C@H]1CC[NH2+]C2(CCC2)C1)c1cc(Br)cc2c1OCCO2 ZINC000662819446 565387412 /nfs/dbraw/zinc/38/74/12/565387412.db2.gz FVDRNPSUHXDTBB-LBPRGKRZSA-N 1 0 381.270 2.625 20 0 GFADRO O=C(NC[C@H]1CCN(c2ccccc2Cl)C1)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662846588 565387550 /nfs/dbraw/zinc/38/75/50/565387550.db2.gz OKFDVOFEWAXHFD-MLGOLLRUSA-N 1 0 375.822 2.825 20 0 GFADRO O=C(N1CCO[C@@H](c2c(F)cccc2Cl)C1)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662823405 565387578 /nfs/dbraw/zinc/38/75/78/565387578.db2.gz HVCAEXNWRJSJRJ-DOMZBBRYSA-N 1 0 380.769 2.921 20 0 GFADRO C[NH2+]C[C@@H](C)NC(=O)c1ccc(NC(=O)c2ccc(Br)o2)cc1 ZINC000662961191 565391221 /nfs/dbraw/zinc/39/12/21/565391221.db2.gz USYBMXFCJCVLHV-SNVBAGLBSA-N 1 0 380.242 2.632 20 0 GFADRO N[C@H](C(=O)NC[C@@H]1CCC[N@H+](CC2CC2)C1)c1ccccc1Br ZINC000663004139 565391988 /nfs/dbraw/zinc/39/19/88/565391988.db2.gz PNZQMMDOBGHQID-YOEHRIQHSA-N 1 0 380.330 2.687 20 0 GFADRO O=C(c1sccc1Cl)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000663016487 565392948 /nfs/dbraw/zinc/39/29/48/565392948.db2.gz BXRNFGORGJOMDR-GFCCVEGCSA-N 1 0 379.917 2.554 20 0 GFADRO COC[C@@H](CO)[NH2+]Cc1cc(Br)ccc1OCc1ccccn1 ZINC000641750706 565397396 /nfs/dbraw/zinc/39/73/96/565397396.db2.gz OLLLKOFFXBGXAJ-MRXNPFEDSA-N 1 0 381.270 2.520 20 0 GFADRO Cc1nn(-c2cccc(Br)c2)cc1C[NH2+]CC1([S@](C)=O)CC1 ZINC000594525755 565397912 /nfs/dbraw/zinc/39/79/12/565397912.db2.gz ZDQPTKYJGDUULE-QFIPXVFZSA-N 1 0 382.327 2.944 20 0 GFADRO CC[C@@H]1CN(C(=O)c2nnn(-c3cccc(Br)c3)c2C)C[C@H](C)[NH2+]1 ZINC000620904703 565401102 /nfs/dbraw/zinc/40/11/02/565401102.db2.gz XFTZFTMQPMLLRN-SMDDNHRTSA-N 1 0 392.301 2.551 20 0 GFADRO C[C@H](Oc1ccc(F)cc1Br)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000594649675 565403483 /nfs/dbraw/zinc/40/34/83/565403483.db2.gz ZNMXWGBVFHLYDP-FZMZJTMJSA-N 1 0 385.277 2.956 20 0 GFADRO CC[NH+](CC)CCNC(=O)[C@@H]1CC(=O)N(c2ccc(Br)c(C)c2)C1 ZINC000642002733 565404207 /nfs/dbraw/zinc/40/42/07/565404207.db2.gz GQHQQBQJFOZZAG-CQSZACIVSA-N 1 0 396.329 2.568 20 0 GFADRO CC(C)[C@@H]1CN(C(=O)c2cc(Br)cnc2OCC2CC2)CC[NH2+]1 ZINC000621159365 565408196 /nfs/dbraw/zinc/40/81/96/565408196.db2.gz JWMAJSQMBCAMNP-HNNXBMFYSA-N 1 0 382.302 2.703 20 0 GFADRO CC[C@@H](Cc1ccc(Br)cc1)[NH2+]C[C@@H](O)COC1CCOCC1 ZINC000663368614 565414644 /nfs/dbraw/zinc/41/46/44/565414644.db2.gz LBMSEGZGOSLCNU-DLBZAZTESA-N 1 0 386.330 2.916 20 0 GFADRO O[C@H](C[NH2+]C1CCN([C@H]2CCOC2)CC1)COc1c(Cl)cccc1Cl ZINC000663364506 565415399 /nfs/dbraw/zinc/41/53/99/565415399.db2.gz ROVBIJDRVPYSBG-LSDHHAIUSA-N 1 0 389.323 2.576 20 0 GFADRO COc1cc(C[NH2+][C@@H]2CCC[C@H]3CN(C(C)=O)C[C@@H]32)c(Br)cn1 ZINC000621296155 565417230 /nfs/dbraw/zinc/41/72/30/565417230.db2.gz JDWHQRHOCIMJBE-DUVNUKRYSA-N 1 0 382.302 2.589 20 0 GFADRO O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000643092623 565421083 /nfs/dbraw/zinc/42/10/83/565421083.db2.gz NUKHLTPKLOZCNO-IUODEOHRSA-N 1 0 378.416 2.738 20 0 GFADRO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)Nc1ccc(OC(F)(F)F)cc1Cl ZINC000663602962 565428184 /nfs/dbraw/zinc/42/81/84/565428184.db2.gz DTPSCHJTMAIONQ-SECBINFHSA-N 1 0 381.782 2.667 20 0 GFADRO OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1Nc1cc(Br)cnn1 ZINC000663649977 565428800 /nfs/dbraw/zinc/42/88/00/565428800.db2.gz FDXDVZPVMOOCGM-HOCLYGCPSA-N 1 0 377.286 2.534 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)N1CCOc2cc(Br)ccc2C1 ZINC000663684394 565430420 /nfs/dbraw/zinc/43/04/20/565430420.db2.gz UGKGBFJGXMWNDQ-HZPDHXFCSA-N 1 0 394.313 2.980 20 0 GFADRO CC(C)OCC[NH+]1CCC(Nc2nnc3ccc(Br)cn32)CC1 ZINC000663683139 565430461 /nfs/dbraw/zinc/43/04/61/565430461.db2.gz MVEGIIHDRSZACH-UHFFFAOYSA-N 1 0 382.306 2.793 20 0 GFADRO O=S(=O)(c1cc(F)ccc1OC(F)F)N1CCCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000643426607 565433351 /nfs/dbraw/zinc/43/33/51/565433351.db2.gz MPYVJJSDKAZEJZ-OLZOCXBDSA-N 1 0 378.416 2.722 20 0 GFADRO Cc1cc(NC(=O)CNC(=O)CC[C@@H]2CCC[NH2+]C2)ccc1Br ZINC000621631484 565433697 /nfs/dbraw/zinc/43/36/97/565433697.db2.gz BLWCKMPVUKCIBM-ZDUSSCGKSA-N 1 0 382.302 2.592 20 0 GFADRO CN(Cc1ccc(Cl)s1)C(=O)C(=O)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000643477213 565434289 /nfs/dbraw/zinc/43/42/89/565434289.db2.gz YLUMKEXPRXPTGG-KBPBESRZSA-N 1 0 383.945 2.598 20 0 GFADRO O=C(COC1CC[NH2+]CC1)NCC1(c2ccc(Br)cc2)CCC1 ZINC000643483335 565434407 /nfs/dbraw/zinc/43/44/07/565434407.db2.gz NOGLEZHTPXXAIL-UHFFFAOYSA-N 1 0 381.314 2.756 20 0 GFADRO O=C(c1cc(Br)c[nH]c1=O)N1CC[NH2+]C[C@H]1c1cccc(Cl)c1 ZINC000621655812 565434986 /nfs/dbraw/zinc/43/49/86/565434986.db2.gz AMNAZYNGHHRRGP-AWEZNQCLSA-N 1 0 396.672 2.990 20 0 GFADRO O=S1(=O)CC[C@@H](N[C@H]2CC[NH2+]C3(CCC3)C2)c2cc(Br)ccc21 ZINC000643548863 565435132 /nfs/dbraw/zinc/43/51/32/565435132.db2.gz WIJIVGWJXKOSFP-DZGCQCFKSA-N 1 0 399.354 2.932 20 0 GFADRO C[C@H]1CCN(C(=O)C2(c3ccc(Br)cc3)CCOCC2)C[C@H]1C[NH3+] ZINC000643604180 565435490 /nfs/dbraw/zinc/43/54/90/565435490.db2.gz VUGZHQUXBYRZAL-LSDHHAIUSA-N 1 0 395.341 2.941 20 0 GFADRO COC(=O)[C@@H]1C[C@H]1[C@H](C)[NH2+]Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000594936577 565435792 /nfs/dbraw/zinc/43/57/92/565435792.db2.gz FIJNUCDHODAHOB-KNXALSJPSA-N 1 0 378.270 2.922 20 0 GFADRO O=C(NCC(F)(F)c1ccc(Br)cc1)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000621671178 565436069 /nfs/dbraw/zinc/43/60/69/565436069.db2.gz JZOVRGMMYTUSOC-SNVBAGLBSA-N 1 0 399.239 2.771 20 0 GFADRO [NH3+][C@]12CCC[C@@H]1CN(C(=O)c1ccc(-n3cc(Br)cn3)cc1)C2 ZINC000621694793 565436981 /nfs/dbraw/zinc/43/69/81/565436981.db2.gz MEFZQXOESFREJB-DYVFJYSZSA-N 1 0 375.270 2.588 20 0 GFADRO COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]C[C@H](CO)Cc1cccc(Br)c1C ZINC000594953478 565437201 /nfs/dbraw/zinc/43/72/01/565437201.db2.gz HIKBZIFIECDIRY-RRCSTGOVSA-N 1 0 384.314 2.696 20 0 GFADRO [NH3+][C@@]12CCC[C@H]1CN(C(=O)c1cn(-c3ccc(Br)cc3)cn1)C2 ZINC000621685001 565437280 /nfs/dbraw/zinc/43/72/80/565437280.db2.gz WRYADMAVXWYBBX-YVEFUNNKSA-N 1 0 375.270 2.588 20 0 GFADRO COc1ccc(Br)c(CNC(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)c1 ZINC000594971994 565438568 /nfs/dbraw/zinc/43/85/68/565438568.db2.gz YJFWJMUHZVPKHH-CQSZACIVSA-N 1 0 382.302 2.741 20 0 GFADRO COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]C[C@H](CO)Cc1cc(Br)ccc1F ZINC000594959373 565438907 /nfs/dbraw/zinc/43/89/07/565438907.db2.gz QKXSLJIRHGAXSI-YIKOMLBNSA-N 1 0 388.277 2.526 20 0 GFADRO CC[NH+](CC)[C@@H](CNC(=O)c1cc(Br)c[nH]c1=O)c1ccco1 ZINC000621753055 565439727 /nfs/dbraw/zinc/43/97/27/565439727.db2.gz HFJMTQMWFCAVJT-ZDUSSCGKSA-N 1 0 382.258 2.956 20 0 GFADRO COCCCn1nccc1C[NH2+]CCc1ccc(I)cc1 ZINC000594996087 565440895 /nfs/dbraw/zinc/44/08/95/565440895.db2.gz VSKBLOKMBNPKNF-UHFFFAOYSA-N 1 0 399.276 2.857 20 0 GFADRO C[C@]1(C(=O)NCc2cc(Cl)ccc2I)CC[NH2+]C1 ZINC000595256531 565459540 /nfs/dbraw/zinc/45/95/40/565459540.db2.gz MWHLNSQLQSTVME-ZDUSSCGKSA-N 1 0 378.641 2.560 20 0 GFADRO O=C(NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)c1cc(Br)c[nH]c1=O ZINC000621869999 565446131 /nfs/dbraw/zinc/44/61/31/565446131.db2.gz URAVQSHXCQZMON-HNNXBMFYSA-N 1 0 390.281 2.944 20 0 GFADRO CSC[C@@H]([NH2+]C[C@@]1(OCCO)CCOC1)c1ccc(C(F)(F)F)cc1 ZINC000595080735 565446848 /nfs/dbraw/zinc/44/68/48/565446848.db2.gz YZTLXGJNMQHLEJ-CVEARBPZSA-N 1 0 379.444 2.867 20 0 GFADRO Brc1cccc(N2CC[C@@H](C[NH2+]C[C@@H]3CNc4ccnn4C3)C2)c1 ZINC000595155449 565451656 /nfs/dbraw/zinc/45/16/56/565451656.db2.gz ZQRZYSHSECWZHJ-LSDHHAIUSA-N 1 0 390.329 2.803 20 0 GFADRO O=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)c1cc2c(cc1Br)OCO2 ZINC000621975229 565453611 /nfs/dbraw/zinc/45/36/11/565453611.db2.gz YFFRUTQZDFPHJR-LBPRGKRZSA-N 1 0 381.270 2.925 20 0 GFADRO C[C@H]1CC2(CN1S(=O)(=O)c1ccccc1OC(F)(F)F)CC[NH2+]CC2 ZINC000643970947 565453811 /nfs/dbraw/zinc/45/38/11/565453811.db2.gz CLEGZTQFUZVPTH-LBPRGKRZSA-N 1 0 378.416 2.738 20 0 GFADRO CC1(C)C[NH2+][C@@H]1C(=O)NCC1(c2cccc(Br)c2)CCOCC1 ZINC000643989022 565453853 /nfs/dbraw/zinc/45/38/53/565453853.db2.gz OUYIZXWVANFOIX-OAHLLOKOSA-N 1 0 381.314 2.612 20 0 GFADRO [NH3+]C[C@H]1CCCC[C@H]1NC(=O)c1ncc(Br)cc1Br ZINC000644065842 565456087 /nfs/dbraw/zinc/45/60/87/565456087.db2.gz KAWKCTUNAXPDEF-LDYMZIIASA-N 1 0 391.107 2.854 20 0 GFADRO [NH3+][C@]12CCC[C@H]1CN(Cc1ncc(Br)cc1Br)C2 ZINC000622003900 565454200 /nfs/dbraw/zinc/45/42/00/565454200.db2.gz HFBIHQXDZDOHLD-ZANVPECISA-N 1 0 375.108 2.920 20 0 GFADRO COCCC[N@H+](C)CCNC(=O)N(C)[C@H](CO)c1cccc(Cl)c1Cl ZINC000664218649 565455424 /nfs/dbraw/zinc/45/54/24/565455424.db2.gz JQSPYQJKGJVMAQ-OAHLLOKOSA-N 1 0 392.327 2.637 20 0 GFADRO [NH3+][C@]12CCC[C@H]1CN(S(=O)(=O)c1ccc(Br)c(Cl)c1)C2 ZINC000622013544 565455592 /nfs/dbraw/zinc/45/55/92/565455592.db2.gz RAFLYMHFEZBDPA-ZANVPECISA-N 1 0 379.707 2.604 20 0 GFADRO CN(CCC[NH3+])C(=O)c1cccc(NC(=O)c2ccc(Br)o2)c1 ZINC000644067170 565456246 /nfs/dbraw/zinc/45/62/46/565456246.db2.gz HAXKQDNPKFMKKH-UHFFFAOYSA-N 1 0 380.242 2.715 20 0 GFADRO FC(F)(CN[C@@H](C1CC1)[C@H]1C[NH2+]CCO1)c1ccc(Br)cc1 ZINC000622044394 565459622 /nfs/dbraw/zinc/45/96/22/565459622.db2.gz DIOILPXWYUQQNA-CABCVRRESA-N 1 0 375.257 2.898 20 0 GFADRO COCCOc1ccc(Br)cc1NC(=O)C[C@H]1CSCC[NH2+]1 ZINC000644154871 565461304 /nfs/dbraw/zinc/46/13/04/565461304.db2.gz WXQBERRLFYJZKJ-LBPRGKRZSA-N 1 0 389.315 2.508 20 0 GFADRO CC1(C)C[NH2+][C@@H]1C(=O)NCc1cc(Br)ccc1Br ZINC000644156356 565461860 /nfs/dbraw/zinc/46/18/60/565461860.db2.gz RNTHNVSUGCEBAD-LLVKDONJSA-N 1 0 376.092 2.826 20 0 GFADRO C[NH+]1CCC(CCO)(NC(=O)COc2cc(Cl)c(Cl)cc2Cl)CC1 ZINC000622490285 565470536 /nfs/dbraw/zinc/47/05/36/565470536.db2.gz PRJVJVUHXCCKIW-UHFFFAOYSA-N 1 0 395.714 2.989 20 0 GFADRO C[N@@H+]1C[C@H]2CCN(S(=O)(=O)c3cc(Cl)ccc3OCC3CCC3)[C@H]2C1 ZINC000644299289 565471437 /nfs/dbraw/zinc/47/14/37/565471437.db2.gz ISXSDVJYHXZLDQ-ZBFHGGJFSA-N 1 0 384.929 2.844 20 0 GFADRO C[NH+](C)CCC[C@@H]1CN(c2ccnc3cc(Br)cnc32)CCO1 ZINC000664655998 565472922 /nfs/dbraw/zinc/47/29/22/565472922.db2.gz CGCQNENKZOTPEE-CQSZACIVSA-N 1 0 379.302 2.939 20 0 GFADRO Cc1nn(C)c(OCC(F)(F)F)c1C[NH2+][C@H]1CC[C@](O)(C(F)(F)F)C1 ZINC000644425194 565476511 /nfs/dbraw/zinc/47/65/11/565476511.db2.gz ZGXOXQBNUHXKRT-JOYOIKCWSA-N 1 0 375.313 2.605 20 0 GFADRO COC(=O)CC[N@@H+]1CCN(Cc2ncc(Br)cc2Cl)[C@@H](C)C1 ZINC000595422339 565476994 /nfs/dbraw/zinc/47/69/94/565476994.db2.gz LYICSVNUEATCEV-NSHDSACASA-N 1 0 390.709 2.567 20 0 GFADRO Cc1nn(C)c(OCC(F)(F)F)c1C[NH2+][C@@H]1CC[C@@](O)(C(F)(F)F)C1 ZINC000644425195 565477318 /nfs/dbraw/zinc/47/73/18/565477318.db2.gz ZGXOXQBNUHXKRT-SKDRFNHKSA-N 1 0 375.313 2.605 20 0 GFADRO CC[C@H](Cc1ccc(Br)cc1)NC(=O)NCCOCC[NH+](C)C ZINC000664731441 565477362 /nfs/dbraw/zinc/47/73/62/565477362.db2.gz HTGSMJZLQFWMTO-MRXNPFEDSA-N 1 0 386.334 2.648 20 0 GFADRO COC(=O)CCN1CC[C@H]([N@@H+]2CC[C@@H](Sc3cccc(Cl)c3)C2)C1=O ZINC000595513270 565479799 /nfs/dbraw/zinc/47/97/99/565479799.db2.gz ZEYDRFOAHBDDCK-CVEARBPZSA-N 1 0 382.913 2.670 20 0 GFADRO O=C(C[NH2+]C1(CCO)CCCC1)Nc1cccc(I)c1 ZINC000595509071 565479849 /nfs/dbraw/zinc/47/98/49/565479849.db2.gz OISFHEMSYCIFLX-UHFFFAOYSA-N 1 0 388.249 2.515 20 0 GFADRO COC(=O)CCN1CC[C@@H]([N@@H+]2CC[C@@H](Sc3cccc(Cl)c3)C2)C1=O ZINC000595513273 565480405 /nfs/dbraw/zinc/48/04/05/565480405.db2.gz ZEYDRFOAHBDDCK-HZPDHXFCSA-N 1 0 382.913 2.670 20 0 GFADRO CC[C@H](CN1CCCC1)[NH2+]CCS(=O)(=O)c1cccc(Br)c1 ZINC000644569502 565483084 /nfs/dbraw/zinc/48/30/84/565483084.db2.gz TTXZXZFGIBJQDK-OAHLLOKOSA-N 1 0 389.359 2.687 20 0 GFADRO C[C@H]([NH2+]C[C@H](O)COc1cc(F)cc(Br)c1)[C@@H]1CCCCO1 ZINC000644616361 565485423 /nfs/dbraw/zinc/48/54/23/565485423.db2.gz AMJKPINEVRVWIB-PJODQICGSA-N 1 0 376.266 2.875 20 0 GFADRO O[C@H](C[NH2+][C@H]1CCO[C@@]2(CCOC2)C1)COc1ccc(Cl)c(Cl)c1 ZINC000644613169 565485579 /nfs/dbraw/zinc/48/55/79/565485579.db2.gz MITFGTUXFOLMKD-AHIWAGSCSA-N 1 0 376.280 2.661 20 0 GFADRO CCOC[C@@H]([NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1)C(C)C ZINC000644630989 565486500 /nfs/dbraw/zinc/48/65/00/565486500.db2.gz VENHQZRQGPYNRM-GDBMZVCRSA-N 1 0 378.282 2.979 20 0 GFADRO CS(=O)(=O)C1(C[NH2+]C[C@@H](O)Cc2ccccc2C(F)(F)F)CCCC1 ZINC000644646753 565487487 /nfs/dbraw/zinc/48/74/87/565487487.db2.gz RSMBKNBKHPRGHE-AWEZNQCLSA-N 1 0 379.444 2.556 20 0 GFADRO COc1cccc2c1C[C@H]([NH2+]C[C@H](O)COc1cccc(Br)c1)C2 ZINC000644669023 565488951 /nfs/dbraw/zinc/48/89/51/565488951.db2.gz ZZFSQRSDBZCRFQ-CVEARBPZSA-N 1 0 392.293 2.954 20 0 GFADRO C[C@H]1[C@H](NC(=O)c2cc(Br)c[nH]c2=O)CC[N@@H+]1Cc1ccccc1 ZINC000623027279 565490509 /nfs/dbraw/zinc/49/05/09/565490509.db2.gz DTVWRLQOTGUBQK-BLLLJJGKSA-N 1 0 390.281 2.943 20 0 GFADRO O=C(c1nc(C2CC2)ncc1Br)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000623060091 565492804 /nfs/dbraw/zinc/49/28/04/565492804.db2.gz DZZFEBANIHBFAC-JSGCOSHPSA-N 1 0 379.302 2.721 20 0 GFADRO C[N@@H+]1CC[C@]2(CCN(C(=O)c3cnc4ncc(Br)cc4c3)C2)C1 ZINC000644765809 565493796 /nfs/dbraw/zinc/49/37/96/565493796.db2.gz YSJAMQMZMLKNIY-KRWDZBQOSA-N 1 0 375.270 2.560 20 0 GFADRO C[N@@H+]1C[C@@H]2CCN(Cc3ncc(Br)cc3Br)[C@@H]2C1 ZINC000644841146 565496222 /nfs/dbraw/zinc/49/62/22/565496222.db2.gz NNCSEFIQYHQGBX-TVQRCGJNSA-N 1 0 375.108 2.743 20 0 GFADRO Cc1c[nH]nc1C(=O)Nc1cc(Br)ccc1N(C)CC[NH+](C)C ZINC000644834647 565496848 /nfs/dbraw/zinc/49/68/48/565496848.db2.gz HCGLDWBBAOWWIW-UHFFFAOYSA-N 1 0 380.290 2.731 20 0 GFADRO COC(=O)c1sc2c(c1Br)CN(C(=O)[C@@H]1C[C@@]13CCC[NH2+]C3)C2 ZINC000595988857 565503391 /nfs/dbraw/zinc/50/33/91/565503391.db2.gz DXLIBSAUABCHMY-MGPLVRAMSA-N 1 0 399.310 2.529 20 0 GFADRO COC(=O)c1sc2c(c1Br)CN(C(=O)C1([NH3+])CCCCC1)C2 ZINC000595985818 565503693 /nfs/dbraw/zinc/50/36/93/565503693.db2.gz BUEOAHDIJOSBDN-UHFFFAOYSA-N 1 0 387.299 2.801 20 0 GFADRO COC(=O)[C@H](NC(=O)CCC1CC[NH2+]CC1)c1ccccc1Br ZINC000595972581 565503760 /nfs/dbraw/zinc/50/37/60/565503760.db2.gz WSXXMNOTUYEEHT-MRXNPFEDSA-N 1 0 383.286 2.559 20 0 GFADRO COC(=O)c1sc2c(c1Br)CN(C(=O)[C@H]1C[C@H](C)CC[NH2+]1)C2 ZINC000595994755 565504899 /nfs/dbraw/zinc/50/48/99/565504899.db2.gz IYDMRHHKJFFIKN-PSASIEDQSA-N 1 0 387.299 2.528 20 0 GFADRO COC(=O)[C@@H](NC1CC[NH+]([C@@H]2CCOC2)CC1)c1ccccc1Br ZINC000596048308 565509594 /nfs/dbraw/zinc/50/95/94/565509594.db2.gz UFSHTCOGEABSAW-PBHICJAKSA-N 1 0 397.313 2.506 20 0 GFADRO C[C@H](O)CCC[NH2+]Cc1cc(Cl)cc(Cl)c1OCCN1CCOCC1 ZINC000623510470 565516006 /nfs/dbraw/zinc/51/60/06/565516006.db2.gz ZJMYCTNVAGRIRG-AWEZNQCLSA-N 1 0 391.339 2.955 20 0 GFADRO COc1ccccc1OCCNC(=O)[C@@](C)([NH3+])c1ccc(Br)cc1 ZINC000645189057 565516027 /nfs/dbraw/zinc/51/60/27/565516027.db2.gz JGYLMGZCMBBHCN-SFHVURJKSA-N 1 0 393.281 2.827 20 0 GFADRO COc1cc(C(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)ccc1Br ZINC000623551300 565518117 /nfs/dbraw/zinc/51/81/17/565518117.db2.gz SMNFPTSNRNDHPD-CQSZACIVSA-N 1 0 385.302 2.544 20 0 GFADRO C[N@@H+]1CCC[C@@H](NC(=O)N2CCO[C@H](c3cccc(Br)c3)C2)C1 ZINC000623543116 565518138 /nfs/dbraw/zinc/51/81/38/565518138.db2.gz WUOBLGBUPRGBCO-CVEARBPZSA-N 1 0 382.302 2.626 20 0 GFADRO O[C@]1(CC[NH2+]Cc2c[nH]nc2-c2ccc(Br)s2)CCCOC1 ZINC000623560818 565518190 /nfs/dbraw/zinc/51/81/90/565518190.db2.gz UCGUNCDRDSTOHS-HNNXBMFYSA-N 1 0 386.315 2.922 20 0 GFADRO OC[C@]1([C@@H]([NH2+]Cc2nc3cc(Br)ccc3[nH]2)C2CC2)CCCO1 ZINC000645266515 565519027 /nfs/dbraw/zinc/51/90/27/565519027.db2.gz JFVYPDJYEHCDJN-IRXDYDNUSA-N 1 0 380.286 2.735 20 0 GFADRO C[NH+](C)CCNC(=O)c1ccc(NCc2c(F)cncc2Br)cc1 ZINC000623632159 565521986 /nfs/dbraw/zinc/52/19/86/565521986.db2.gz NNOYMDCUTKAYRA-UHFFFAOYSA-N 1 0 395.276 2.887 20 0 GFADRO OC[C@@]1([NH2+]Cc2cc3n(n2)CCC3)CCc2cc(Br)ccc2C1 ZINC000623645259 565523297 /nfs/dbraw/zinc/52/32/97/565523297.db2.gz VEVWUDJGRPSNCG-GOSISDBHSA-N 1 0 376.298 2.601 20 0 GFADRO OC[C@@]1([NH2+]Cc2cc3n(n2)CCCC3)CCc2cc(Br)ccc2C1 ZINC000623645276 565523596 /nfs/dbraw/zinc/52/35/96/565523596.db2.gz VXGZPYUIHKZBPN-LJQANCHMSA-N 1 0 390.325 2.992 20 0 GFADRO COc1cc(CNC(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)c(Br)cc1O ZINC000645422833 565524552 /nfs/dbraw/zinc/52/45/52/565524552.db2.gz SSSFJWQBVKNOFC-NSHDSACASA-N 1 0 398.301 2.613 20 0 GFADRO C[C@@H](CNC(=O)c1cc(Br)c2ccccc2c1)N1CC[NH+](C)CC1 ZINC000645426399 565524837 /nfs/dbraw/zinc/52/48/37/565524837.db2.gz WWKHHAVYNBFGBD-AWEZNQCLSA-N 1 0 390.325 2.968 20 0 GFADRO O=C(Nc1ccc(F)c(Br)c1)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000666225657 565528425 /nfs/dbraw/zinc/52/84/25/565528425.db2.gz HCCZFFVQQFKLDA-ZDUSSCGKSA-N 1 0 386.265 2.651 20 0 GFADRO CS(=O)(=O)c1ccc(C[NH2+][C@@H](Cc2ccccc2)[C@H](O)C(F)(F)F)s1 ZINC000666275493 565529141 /nfs/dbraw/zinc/52/91/41/565529141.db2.gz YPTIAJLWXCQYKO-ZFWWWQNUSA-N 1 0 393.452 2.776 20 0 GFADRO Brc1cccc(C[NH2+]C[C@@H]2CN(Cc3ccncc3)CCO2)c1 ZINC000623780818 565529917 /nfs/dbraw/zinc/52/99/17/565529917.db2.gz YIGICMJKGZSLMH-GOSISDBHSA-N 1 0 376.298 2.835 20 0 GFADRO COc1ncc(S(=O)(=O)N2CCC[C@H]([NH+]3[C@@H](C)CC[C@@H]3C)C2)cc1Cl ZINC000645486392 565530613 /nfs/dbraw/zinc/53/06/13/565530613.db2.gz KPDKBELTVDHPKH-IHRRRGAJSA-N 1 0 387.933 2.770 20 0 GFADRO CO[C@@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)NC[C@H]1CCC[N@@H+]1C ZINC000623848637 565532520 /nfs/dbraw/zinc/53/25/20/565532520.db2.gz DILYHNLQOMGVGK-DAXOMENPSA-N 1 0 384.318 2.919 20 0 GFADRO C[C@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+]C1CCN(S(C)(=O)=O)CC1 ZINC000623859297 565532553 /nfs/dbraw/zinc/53/25/53/565532553.db2.gz IZTXVVKZQOACAG-SNVBAGLBSA-N 1 0 399.866 2.698 20 0 GFADRO C[C@@H]([NH2+]CCCN(C)S(C)(=O)=O)c1cc(F)c(Br)cc1F ZINC000623862265 565533262 /nfs/dbraw/zinc/53/32/62/565533262.db2.gz PZQOZPRDNJLFCJ-SECBINFHSA-N 1 0 385.274 2.659 20 0 GFADRO C[C@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+][C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000623879062 565534054 /nfs/dbraw/zinc/53/40/54/565534054.db2.gz WYIIDPOEJXRVJT-ZYHUDNBSSA-N 1 0 399.866 2.698 20 0 GFADRO CN(CC1C[NH+](C)C1)C(=O)Nc1cc(F)c(F)cc1I ZINC000596778391 565534799 /nfs/dbraw/zinc/53/47/99/565534799.db2.gz IUSLKDIYQDMEOF-UHFFFAOYSA-N 1 0 395.191 2.595 20 0 GFADRO C[N@@H+]1CCC[C@@H](CNS(=O)(=O)Cc2ccc(Br)cc2Cl)C1 ZINC000645525722 565535046 /nfs/dbraw/zinc/53/50/46/565535046.db2.gz UFYIVDXQZJEBBV-NSHDSACASA-N 1 0 395.750 2.864 20 0 GFADRO CCOCCOC[C@H](O)C[NH2+][C@@H](C)c1cc(F)c(Br)cc1F ZINC000623970197 565537536 /nfs/dbraw/zinc/53/75/36/565537536.db2.gz HUNVGIURYARFLC-WDEREUQCSA-N 1 0 382.245 2.792 20 0 GFADRO Cc1ccc(Br)cc1[C@H](C)[NH2+]CCCCn1cc(C(N)=O)nn1 ZINC000624002086 565538550 /nfs/dbraw/zinc/53/85/50/565538550.db2.gz VFRHPVBXSZUTQR-LBPRGKRZSA-N 1 0 380.290 2.579 20 0 GFADRO C[C@H]1C[C@@H](NS(=O)(=O)c2cc(Cl)ccc2OC(F)(F)F)CC[N@@H+]1C ZINC000645565788 565539477 /nfs/dbraw/zinc/53/94/77/565539477.db2.gz VNYSJCZFVMZEGA-ONGXEEELSA-N 1 0 386.823 3.000 20 0 GFADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@H](n1cccn1)C(F)(F)F ZINC000624044288 565539607 /nfs/dbraw/zinc/53/96/07/565539607.db2.gz MGIJSLFQTHDHJX-PWSUYJOCSA-N 1 0 393.207 2.589 20 0 GFADRO CCC[N@H+](CC)C[C@@H](C)NC(=O)NCc1cc(Br)cnc1OC ZINC000624091521 565542247 /nfs/dbraw/zinc/54/22/47/565542247.db2.gz DYCRDTLTXRXVMZ-GFCCVEGCSA-N 1 0 387.322 2.772 20 0 GFADRO CC[N@@H+]1CCN(C(=O)Nc2ccc(I)cc2F)C[C@H]1C ZINC000597018196 565546520 /nfs/dbraw/zinc/54/65/20/565546520.db2.gz OOPCAUQPZCHJBX-SNVBAGLBSA-N 1 0 391.228 2.988 20 0 GFADRO CC[NH+](CC)CCNC(=O)Nc1ccc(I)cc1F ZINC000597019315 565546552 /nfs/dbraw/zinc/54/65/52/565546552.db2.gz YFBVLXIKYJOPIZ-UHFFFAOYSA-N 1 0 379.217 2.894 20 0 GFADRO CC[NH+](CC)CC1CCN(C(=O)Nc2cn(C)cc(Br)c2=O)CC1 ZINC000666688087 565547724 /nfs/dbraw/zinc/54/77/24/565547724.db2.gz GCQBNZVKLRTNBM-UHFFFAOYSA-N 1 0 399.333 2.734 20 0 GFADRO C[C@@H]1CN(c2nccc(-c3ccc(Br)cc3)n2)C[C@H](C)[N@H+]1CCO ZINC000624256104 565548830 /nfs/dbraw/zinc/54/88/30/565548830.db2.gz AYCWJTPYFZCRRT-OKILXGFUSA-N 1 0 391.313 2.797 20 0 GFADRO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)Nc1cn(C)cc(Br)c1=O ZINC000666690904 565548860 /nfs/dbraw/zinc/54/88/60/565548860.db2.gz PQBJZIRSUBLQAH-RYUDHWBXSA-N 1 0 385.306 2.532 20 0 GFADRO Cc1cc(Br)c(F)cc1S(=O)(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000624362001 565551965 /nfs/dbraw/zinc/55/19/65/565551965.db2.gz DJJTVFVAKXWKIW-WDMOLILDSA-N 1 0 391.306 2.645 20 0 GFADRO COC(=O)c1ccc(C[NH2+]C[C@H]2CS(=O)(=O)c3ccccc32)cc1Cl ZINC000597134659 565552748 /nfs/dbraw/zinc/55/27/48/565552748.db2.gz JSZZANOKGLRTFV-ZDUSSCGKSA-N 1 0 379.865 2.787 20 0 GFADRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2ccccc2C(F)(F)F)CC[C@@H]1C(F)(F)F ZINC000624389593 565554785 /nfs/dbraw/zinc/55/47/85/565554785.db2.gz DWJJPGIFSHRDLW-ZJUUUORDSA-N 1 0 390.349 2.853 20 0 GFADRO C[C@H]1CC[C@@H](NS(=O)(=O)c2cc(Cl)c(Br)cc2F)C[NH2+]1 ZINC000624405640 565555787 /nfs/dbraw/zinc/55/57/87/565555787.db2.gz NQLOMECTXVMMNS-JGVFFNPUSA-N 1 0 385.686 2.660 20 0 GFADRO CS[C@@H]1CN(C(=O)c2cc(N(C)C)cc(C(F)(F)F)c2)C[C@H]1[NH+](C)C ZINC000597447921 565561086 /nfs/dbraw/zinc/56/10/86/565561086.db2.gz XYMCTOPLWIJXSD-HUUCEWRRSA-N 1 0 375.460 2.889 20 0 GFADRO C[N@@H+]1CCCC[C@@H](CNC(=O)N2CCC(n3cc(Br)cn3)CC2)C1 ZINC000624614206 565566092 /nfs/dbraw/zinc/56/60/92/565566092.db2.gz MUBJKNXUDOBMDC-AWEZNQCLSA-N 1 0 398.349 2.724 20 0 GFADRO [NH3+]C1(CC(=O)N2CCC(C(=O)Nc3cccc(Br)c3)CC2)CCC1 ZINC000645841799 565567639 /nfs/dbraw/zinc/56/76/39/565567639.db2.gz MPWCNUARJOPDPG-UHFFFAOYSA-N 1 0 394.313 2.898 20 0 GFADRO COc1ncc(Br)cc1CNC(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000624631967 565567850 /nfs/dbraw/zinc/56/78/50/565567850.db2.gz BQMXCZPXUHUEFN-UHFFFAOYSA-N 1 0 399.333 2.774 20 0 GFADRO C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)Cc1ccc(I)cc1)C2 ZINC000597711924 565572082 /nfs/dbraw/zinc/57/20/82/565572082.db2.gz XYICXQBIQITBDM-KRWDZBQOSA-N 1 0 398.288 2.778 20 0 GFADRO CC[NH+](CC)CCS(=O)(=O)N1CCO[C@@H](c2c(F)cccc2Cl)C1 ZINC000645895139 565572516 /nfs/dbraw/zinc/57/25/16/565572516.db2.gz YGDPFCHLXFYQTD-OAHLLOKOSA-N 1 0 378.897 2.524 20 0 GFADRO CN1CCOC[C@@H]1CNC(=O)N1CCC[C@@H]1c1cccc(Br)c1 ZINC000624737673 565573400 /nfs/dbraw/zinc/57/34/00/565573400.db2.gz KLCABYLHAHBQGW-JKSUJKDBSA-N 1 0 382.302 2.626 20 0 GFADRO Cc1ncc(Br)cc1NC(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000667189549 565575958 /nfs/dbraw/zinc/57/59/58/565575958.db2.gz PDDGTWCVQGGACU-AWEZNQCLSA-N 1 0 385.306 2.727 20 0 GFADRO CCC[N@H+](C)CC(C)(C)NC(=O)Nc1nc2cc(Br)ccn2n1 ZINC000667192362 565575989 /nfs/dbraw/zinc/57/59/89/565575989.db2.gz RJVMUCUSBXGHIX-UHFFFAOYSA-N 1 0 383.294 2.734 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)CCC[NH+]1CC(C)(C(N)=O)C1 ZINC000645958742 565577976 /nfs/dbraw/zinc/57/79/76/565577976.db2.gz HEVNTQSNXDNWQM-UHFFFAOYSA-N 1 0 382.302 2.592 20 0 GFADRO COCC[NH+]1CCC(NC(=O)c2c(Cl)cccc2Br)CC1 ZINC000667225302 565578261 /nfs/dbraw/zinc/57/82/61/565578261.db2.gz CGMUVIWJTDUTIY-UHFFFAOYSA-N 1 0 375.694 2.943 20 0 GFADRO O=C(Nc1nnc(CC(F)(F)F)s1)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000667231676 565578932 /nfs/dbraw/zinc/57/89/32/565578932.db2.gz XWVWZQOGRSBVDH-GHMZBOCLSA-N 1 0 377.436 2.886 20 0 GFADRO O=C(Nc1cnn(-c2ccccc2Br)c1)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000667276179 565580400 /nfs/dbraw/zinc/58/04/00/565580400.db2.gz BWKMZENAHAEMFK-DOMZBBRYSA-N 1 0 390.285 2.851 20 0 GFADRO Cc1csc(=O)n1CC[NH2+][C@@H](CCO)c1cccc(OC(F)(F)F)c1 ZINC000646017644 565582894 /nfs/dbraw/zinc/58/28/94/565582894.db2.gz QTHWXCJGQCGQCK-AWEZNQCLSA-N 1 0 376.400 2.830 20 0 GFADRO CN(C(=O)Nc1nc(Cc2ccccc2Br)cs1)C1C[NH2+]C1 ZINC000667365177 565583455 /nfs/dbraw/zinc/58/34/55/565583455.db2.gz HJOXAJNVRPZVSZ-UHFFFAOYSA-N 1 0 381.299 2.932 20 0 GFADRO O[C@@H](COc1cc(F)cc(Br)c1)C[N@@H+]1CCOC[C@H]1C1CCC1 ZINC000646059043 565584604 /nfs/dbraw/zinc/58/46/04/565584604.db2.gz AUHVSQAXLPLCQY-WBVHZDCISA-N 1 0 388.277 2.829 20 0 GFADRO O=c1c2cnn(Cc3ccc(Cl)cc3Cl)c2ncn1C[C@@H]1CC[NH2+]C1 ZINC000646069487 565586760 /nfs/dbraw/zinc/58/67/60/565586760.db2.gz DRZNIQHKKTXHMU-LLVKDONJSA-N 1 0 378.263 2.558 20 0 GFADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)CCc1ccon1 ZINC000667427502 565586850 /nfs/dbraw/zinc/58/68/50/565586850.db2.gz IDPDEVGHMPPZJO-UHFFFAOYSA-N 1 0 380.286 2.960 20 0 GFADRO CCN(C(=O)c1ccc(F)cc1I)[C@H]1CC[N@H+](CC)C1 ZINC000598040473 565589765 /nfs/dbraw/zinc/58/97/65/565589765.db2.gz GAKZJCNFEUMPOY-LBPRGKRZSA-N 1 0 390.240 2.987 20 0 GFADRO C[NH+](C)C[C@@H](CO)NC(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1 ZINC000646212119 565590436 /nfs/dbraw/zinc/59/04/36/565590436.db2.gz PUYBCAXGMCMKAO-LBPRGKRZSA-N 1 0 386.279 2.620 20 0 GFADRO C[NH+]1CCC2(CCN(C(=O)c3cc(Br)c4c(c3)OCCO4)C2)CC1 ZINC000646250452 565591462 /nfs/dbraw/zinc/59/14/62/565591462.db2.gz WCRHLQZVABKNNH-UHFFFAOYSA-N 1 0 395.297 2.778 20 0 GFADRO O=C(Nc1ccc(Br)c(F)c1)C(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000667533750 565593668 /nfs/dbraw/zinc/59/36/68/565593668.db2.gz VMLSMNQSSVKPCP-UHFFFAOYSA-N 1 0 398.276 2.519 20 0 GFADRO CC[C@@H]1CN(C(=O)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)CC[C@@H]1[NH3+] ZINC000667551931 565594790 /nfs/dbraw/zinc/59/47/90/565594790.db2.gz CVKXEOURZFNHQU-SKDRFNHKSA-N 1 0 377.794 2.883 20 0 GFADRO Cc1cc(Br)c(F)cc1S(=O)(=O)N1CCC[C@@H]1C[NH+](C)C ZINC000625067571 565595271 /nfs/dbraw/zinc/59/52/71/565595271.db2.gz RCKLHFIMPYYEKL-LLVKDONJSA-N 1 0 379.295 2.611 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CN(C(=O)Nc2nc3c(cccc3Br)s2)CCO1 ZINC000667595269 565595549 /nfs/dbraw/zinc/59/55/49/565595549.db2.gz SZQNTKOITCEPJB-WPRPVWTQSA-N 1 0 385.287 2.639 20 0 GFADRO COC(=O)[C@H](NC(=O)C[NH+]1CCC(C)CC1)c1ccccc1Br ZINC000598182563 565597597 /nfs/dbraw/zinc/59/75/97/565597597.db2.gz HNGIHVKGPHRZHT-MRXNPFEDSA-N 1 0 383.286 2.511 20 0 GFADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)Cc1cc(Cl)cc(Cl)c1 ZINC000625086348 565597604 /nfs/dbraw/zinc/59/76/04/565597604.db2.gz XQCHEKYEJNTQNU-MRXNPFEDSA-N 1 0 386.323 2.595 20 0 GFADRO O=C(Nc1ccn(-c2ccc(Br)cc2)n1)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000667639577 565597860 /nfs/dbraw/zinc/59/78/60/565597860.db2.gz XCBBQALFDLLWNJ-IUODEOHRSA-N 1 0 390.285 2.851 20 0 GFADRO O=C(Nc1ccccc1Br)C(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000667638790 565597992 /nfs/dbraw/zinc/59/79/92/565597992.db2.gz ZTODRQNCCFHQGP-ZIAGYGMSSA-N 1 0 394.313 2.626 20 0 GFADRO NC(=O)CC[C@H]1CCC[N@@H+]([C@@H]2CCc3cc(Br)ccc3NC2=O)C1 ZINC000625130891 565600798 /nfs/dbraw/zinc/60/07/98/565600798.db2.gz JWUJFANOFGNLJC-MLGOLLRUSA-N 1 0 394.313 2.680 20 0 GFADRO Cc1cc(NC(=O)N2CN(CC[NH+](C)C)C(=O)[C@H]2C)cc(C)c1Br ZINC000646385638 565601113 /nfs/dbraw/zinc/60/11/13/565601113.db2.gz HIJQJTOVBRBGQB-CYBMUJFWSA-N 1 0 397.317 2.650 20 0 GFADRO O=C(c1[nH]nc(C2CC2)c1Br)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000646377788 565601218 /nfs/dbraw/zinc/60/12/18/565601218.db2.gz BEQKHJRZCYUHAM-OLZOCXBDSA-N 1 0 381.318 2.901 20 0 GFADRO C[C@H](CC(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1)n1cc(Br)cn1 ZINC000646379444 565601351 /nfs/dbraw/zinc/60/13/51/565601351.db2.gz QFQNAUXNLUKPMA-QLFBSQMISA-N 1 0 383.334 2.835 20 0 GFADRO CC(=O)NCc1ccc(-c2nc(NC(=O)[C@@H]3CC[NH2+][C@@H]3C)sc2C)s1 ZINC000646420989 565602347 /nfs/dbraw/zinc/60/23/47/565602347.db2.gz NPWOQEWDLXDUMD-NOZJJQNGSA-N 1 0 378.523 2.753 20 0 GFADRO CSc1ccsc1C(=O)N[C@@H](CC(C)C)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000646419698 565602440 /nfs/dbraw/zinc/60/24/40/565602440.db2.gz LRURJABYTDBUSJ-KBPBESRZSA-N 1 0 383.583 2.777 20 0 GFADRO O=C(Nc1ccccc1SCC(F)(F)F)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000667711237 565602879 /nfs/dbraw/zinc/60/28/79/565602879.db2.gz GLBXWCYGVJWQAM-NSHDSACASA-N 1 0 375.416 2.538 20 0 GFADRO O=C(C[C@@H]1CC[NH2+]C1)NCc1cc(Br)ccc1Br ZINC000646436566 565603440 /nfs/dbraw/zinc/60/34/40/565603440.db2.gz CQLPSLGRILQTIV-VIFPVBQESA-N 1 0 376.092 2.827 20 0 GFADRO C[N@@H+]1CCC[C@@H]1[C@H]1COCCN1C(=O)CCc1cc(Br)cs1 ZINC000646444413 565603476 /nfs/dbraw/zinc/60/34/76/565603476.db2.gz MESBDUPRUNLNPR-HUUCEWRRSA-N 1 0 387.343 2.765 20 0 GFADRO COCC[N@H+](C)CCCNC(=O)Nc1cnc(-c2ccc(Cl)s2)nc1 ZINC000646542825 565607129 /nfs/dbraw/zinc/60/71/29/565607129.db2.gz LVPLOSAAVNDKNO-UHFFFAOYSA-N 1 0 383.905 2.948 20 0 GFADRO CCC[N@@H+]1CC[C@H](NC(=O)c2ccc(I)cc2NC)C1 ZINC000598341826 565609911 /nfs/dbraw/zinc/60/99/11/565609911.db2.gz GLGHRBUVJYSLBR-LBPRGKRZSA-N 1 0 387.265 2.547 20 0 GFADRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)Nc1cccc(Br)c1F ZINC000667920927 565614148 /nfs/dbraw/zinc/61/41/48/565614148.db2.gz QXAHNLAMFOLUFA-LLVKDONJSA-N 1 0 388.281 2.897 20 0 GFADRO O=C(CNC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1)Nc1ccc(Cl)cc1 ZINC000646736800 565616433 /nfs/dbraw/zinc/61/64/33/565616433.db2.gz XNFMRMMYJAIYCF-MRXNPFEDSA-N 1 0 381.929 2.612 20 0 GFADRO CC[C@@H](C)[N@H+](C)CCNC(=O)[C@@H]1CCO[C@H]1c1cncc(Br)c1 ZINC000668012225 565618878 /nfs/dbraw/zinc/61/88/78/565618878.db2.gz WCZALDXAVBPECX-WQVCFCJDSA-N 1 0 384.318 2.768 20 0 GFADRO Cc1cc(C(=O)N2CCO[C@H]([C@@H](C)[NH3+])C2)nn1-c1ccc(Cl)cc1Cl ZINC000646844469 565622513 /nfs/dbraw/zinc/62/25/13/565622513.db2.gz UZBYVYANLRALGY-BZNIZROVSA-N 1 0 383.279 2.676 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CN(C(=O)COc2ccc3cc(Br)ccc3c2)CCO1 ZINC000646848287 565622881 /nfs/dbraw/zinc/62/28/81/565622881.db2.gz NWXNYBQBVHSEPI-PXAZEXFGSA-N 1 0 393.281 2.556 20 0 GFADRO CC[C@@H]1CN(C(=O)c2cc(F)c(F)cc2I)C[C@H](C)[NH2+]1 ZINC000598532179 565623166 /nfs/dbraw/zinc/62/31/66/565623166.db2.gz SXERLFPLVAAWIA-DTWKUNHWSA-N 1 0 394.203 2.782 20 0 GFADRO CC[NH+](CC)CC[C@@H](CO)NC(=O)Nc1ccc(F)c(Br)c1F ZINC000668040146 565623504 /nfs/dbraw/zinc/62/35/04/565623504.db2.gz MJFCGGQFXXZSKR-JTQLQIEISA-N 1 0 394.260 2.942 20 0 GFADRO COc1ccc(Br)c2[nH]c(C(=O)N3CC[C@H]4C[N@H+](C)C[C@@H]43)cc21 ZINC000646934536 565626477 /nfs/dbraw/zinc/62/64/77/565626477.db2.gz VAANLMWVEMAEOV-HZMBPMFUSA-N 1 0 378.270 2.715 20 0 GFADRO CC[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(c3cc(Cl)cc(Cl)c3)C2)CC[C@@H]1[NH3+] ZINC000647010706 565632099 /nfs/dbraw/zinc/63/20/99/565632099.db2.gz VOQRCJOWIZQWHK-HSMVNMDESA-N 1 0 384.307 2.932 20 0 GFADRO O=C(CC[C@@H]1CCC[NH2+]C1)NCCc1ccc(I)s1 ZINC000598665148 565633087 /nfs/dbraw/zinc/63/30/87/565633087.db2.gz SPIRRDYWSCWPLY-NSHDSACASA-N 1 0 392.306 2.791 20 0 GFADRO C[N@H+](CCCCNS(=O)(=O)Cc1ccc(OC(F)(F)F)cc1)C1CC1 ZINC000668222698 565633857 /nfs/dbraw/zinc/63/38/57/565633857.db2.gz ALVLIGFJEIJGMS-UHFFFAOYSA-N 1 0 380.432 2.879 20 0 GFADRO O=C(NCC[NH+]1CCSCC1)c1ccc(-c2cccc(Cl)c2)[nH]c1=O ZINC000625517637 565634955 /nfs/dbraw/zinc/63/49/55/565634955.db2.gz BCASOSWTNVNDSA-UHFFFAOYSA-N 1 0 377.897 2.886 20 0 GFADRO Cc1ccc(CC(=O)N2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)cc1Br ZINC000647076918 565635264 /nfs/dbraw/zinc/63/52/64/565635264.db2.gz PENMTKQSCPGEPV-AEFFLSMTSA-N 1 0 381.314 2.655 20 0 GFADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)C(C)(C)Oc1ccc(Br)cc1 ZINC000668261882 565636163 /nfs/dbraw/zinc/63/61/63/565636163.db2.gz ATNMMRYCUOYKRY-HNNXBMFYSA-N 1 0 399.329 2.834 20 0 GFADRO [NH3+][C@H]1CCCO[C@H]1C1CCN(C(=O)c2ccc(Br)c(O)c2)CC1 ZINC000647088298 565636941 /nfs/dbraw/zinc/63/69/41/565636941.db2.gz WLTBDZNTTJKGIL-HOCLYGCPSA-N 1 0 383.286 2.513 20 0 GFADRO O[C@H](COc1ccc(Cl)c(Cl)c1)C[NH+]1CCC(N2CCOCC2)CC1 ZINC000625555655 565638947 /nfs/dbraw/zinc/63/89/47/565638947.db2.gz WMECJTIHRJLDSH-HNNXBMFYSA-N 1 0 389.323 2.530 20 0 GFADRO C[C@H]1C[C@H]([NH2+]CC(C)(C)S(=O)(=O)c2ccc(Br)cc2)CO1 ZINC000647184598 565643969 /nfs/dbraw/zinc/64/39/69/565643969.db2.gz RIQYCDHJOAKTJE-AAEUAGOBSA-N 1 0 376.316 2.768 20 0 GFADRO [NH3+]CC1CCN(S(=O)(=O)c2ccc3ccccc3c2Br)CC1 ZINC000647188483 565644024 /nfs/dbraw/zinc/64/40/24/565644024.db2.gz RURSXQRBJNOTON-UHFFFAOYSA-N 1 0 383.311 2.962 20 0 GFADRO CC(C)(O)C[NH+]1CCN(C(=O)Cc2c(Cl)cccc2Br)CC1 ZINC000668379710 565645140 /nfs/dbraw/zinc/64/51/40/565645140.db2.gz KAXCHROPQLOJTR-UHFFFAOYSA-N 1 0 389.721 2.560 20 0 GFADRO CCOc1cc(C[N@@H+]2CC[C@@H](Cn3ccnn3)C2)cc(Br)c1O ZINC000668452506 565646636 /nfs/dbraw/zinc/64/66/36/565646636.db2.gz JKMAHXAYAWUCAT-GFCCVEGCSA-N 1 0 381.274 2.667 20 0 GFADRO C[C@@H]1CN(S(=O)(=O)Cc2ccc(Br)cc2Cl)CC[C@@H]1[NH3+] ZINC000647222588 565647437 /nfs/dbraw/zinc/64/74/37/565647437.db2.gz HVZJKSGXJAECAD-RNCFNFMXSA-N 1 0 381.723 2.601 20 0 GFADRO CC[NH+](CC)CCS(=O)(=O)N[C@@H](CCO)c1cc(Cl)cc(Cl)c1 ZINC000625628052 565647954 /nfs/dbraw/zinc/64/79/54/565647954.db2.gz ZRNIORNIHPSWML-HNNXBMFYSA-N 1 0 383.341 2.678 20 0 GFADRO O=S(=O)(c1cc(Br)ccc1F)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647237591 565648243 /nfs/dbraw/zinc/64/82/43/565648243.db2.gz HGWLWAIHTBTIMB-SMDDNHRTSA-N 1 0 391.306 2.741 20 0 GFADRO O=S(=O)(c1ccc(C(F)(F)F)cc1F)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000647238076 565648338 /nfs/dbraw/zinc/64/83/38/565648338.db2.gz DLBPRKRMPVKRBS-BXUZGUMPSA-N 1 0 380.407 2.997 20 0 GFADRO CO[C@]1(CO)CCC[N@H+](Cc2cn(-c3cccc(Br)c3)nc2C)C1 ZINC000668498826 565651218 /nfs/dbraw/zinc/65/12/18/565651218.db2.gz WURMXZIPZMDOET-GOSISDBHSA-N 1 0 394.313 2.917 20 0 GFADRO CN1CC(C[N@H+](C)Cc2cc(Br)cc(Br)c2N)C1 ZINC000668539559 565652209 /nfs/dbraw/zinc/65/22/09/565652209.db2.gz CWKZIKWQPNGMOC-UHFFFAOYSA-N 1 0 377.124 2.787 20 0 GFADRO O=S(=O)(N[C@@H]1CC12CC[NH2+]CC2)c1cccc(Br)c1Cl ZINC000647303422 565655345 /nfs/dbraw/zinc/65/53/45/565655345.db2.gz YOOYXSXDTOJDDA-LLVKDONJSA-N 1 0 379.707 2.523 20 0 GFADRO C[NH2+]C[C@@H]1C[C@H](F)CN1S(=O)(=O)Cc1cc(Cl)ccc1Br ZINC000647293181 565655361 /nfs/dbraw/zinc/65/53/61/565655361.db2.gz VXMZGCGQHASBNQ-RYUDHWBXSA-N 1 0 399.713 2.564 20 0 GFADRO O=C1CCC(=O)N1CC[N@H+]1CC[C@H](Sc2ccc(Br)cc2)C1 ZINC000625703442 565655551 /nfs/dbraw/zinc/65/55/51/565655551.db2.gz GXMHKSJAQKNOQQ-AWEZNQCLSA-N 1 0 383.311 2.765 20 0 GFADRO C[C@H](C[NH2+]CC1(S(C)(=O)=O)CCCCC1)c1ccc(S(C)(=O)=O)cc1 ZINC000668580603 565655996 /nfs/dbraw/zinc/65/59/96/565655996.db2.gz PFDXBVZXBWPNNH-OAHLLOKOSA-N 1 0 387.567 2.531 20 0 GFADRO CN(C1CC([NH3+])C1)S(=O)(=O)c1cc(C(F)(F)F)ccc1Br ZINC000647315609 565656924 /nfs/dbraw/zinc/65/69/24/565656924.db2.gz VQGUXKHWRFEZLS-UHFFFAOYSA-N 1 0 387.221 2.578 20 0 GFADRO COC(=O)CCNC(=O)CC[NH2+][C@@H]1CC(C)(C)c2ccc(Br)cc21 ZINC000599088464 565657011 /nfs/dbraw/zinc/65/70/11/565657011.db2.gz LFGUZVKLDCGTCJ-OAHLLOKOSA-N 1 0 397.313 2.831 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H](CNS(=O)(=O)c2ccc(Br)cc2Cl)C1 ZINC000647316688 565657036 /nfs/dbraw/zinc/65/70/36/565657036.db2.gz AEIJKPVCSIMATK-MWLCHTKSSA-N 1 0 381.723 2.898 20 0 GFADRO Cc1cccc2cc(S(=O)(=O)N3CCC([C@@H]4OCC[C@H]4[NH3+])CC3)sc21 ZINC000647320198 565657050 /nfs/dbraw/zinc/65/70/50/565657050.db2.gz HLGPIZCAPPNYPX-WBVHZDCISA-N 1 0 380.535 2.727 20 0 GFADRO C[C@H]1CCCCN1C(=O)C[NH2+][C@]1(CO)CCc2cc(Br)ccc2C1 ZINC000625794891 565659448 /nfs/dbraw/zinc/65/94/48/565659448.db2.gz OYKZPVGOEXFMPW-IFXJQAMLSA-N 1 0 395.341 2.660 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CN(Cc2ccc(OC(F)(F)F)c(Br)c2)CCO1 ZINC000647506625 565661332 /nfs/dbraw/zinc/66/13/32/565661332.db2.gz XOYKLMSNEIEQJR-ZANVPECISA-N 1 0 383.208 2.896 20 0 GFADRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)Nc1cccc(Cl)c1SCC(F)F ZINC000647494235 565661756 /nfs/dbraw/zinc/66/17/56/565661756.db2.gz IPHGATWXFYHOOF-RKDXNWHRSA-N 1 0 379.860 2.878 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CN(Cc2ccc(OC(F)(F)F)c(Br)c2)CCO1 ZINC000647506622 565661921 /nfs/dbraw/zinc/66/19/21/565661921.db2.gz XOYKLMSNEIEQJR-NOZJJQNGSA-N 1 0 383.208 2.896 20 0 GFADRO [NH3+]CCCOCCNC(=O)Nc1ccc(Br)c(C(F)(F)F)c1 ZINC000625833237 565662715 /nfs/dbraw/zinc/66/27/15/565662715.db2.gz NALVUXFWAMAWTG-UHFFFAOYSA-N 1 0 384.196 2.955 20 0 GFADRO O[C@H](CCc1ccccc1)C[NH2+]C[C@H](O)COc1ccc(Br)cc1 ZINC000647529245 565662911 /nfs/dbraw/zinc/66/29/11/565662911.db2.gz SYSGXXZCOADRRN-MSOLQXFVSA-N 1 0 394.309 2.772 20 0 GFADRO [NH3+]CC[C@H](NC(=O)N[C@H]1CCN(c2ccc(Cl)cc2F)C1)C(F)(F)F ZINC000625898215 565666129 /nfs/dbraw/zinc/66/61/29/565666129.db2.gz JPQDNBATJLMKFC-GWCFXTLKSA-N 1 0 382.789 2.637 20 0 GFADRO COc1cc(C[NH2+][C@@H]2CCO[C@H]2c2ccc(=O)[nH]c2)c(Br)cn1 ZINC000625992200 565669440 /nfs/dbraw/zinc/66/94/40/565669440.db2.gz XJRFIYVEINRBIO-CJNGLKHVSA-N 1 0 380.242 2.573 20 0 GFADRO C[C@H]1C[C@H](c2ccc(Br)cc2)C[N@@H+]1CCN1C(=O)CN(C)C1=O ZINC000626040672 565671952 /nfs/dbraw/zinc/67/19/52/565671952.db2.gz KEUPXXQMXJIKNH-JSGCOSHPSA-N 1 0 380.286 2.521 20 0 GFADRO C[C@@H]1COCC[N@@H+]1C1CCN(C(=O)Cc2ccc(Br)c(F)c2)CC1 ZINC000647764400 565674519 /nfs/dbraw/zinc/67/45/19/565674519.db2.gz XZAVCFQCVDGRBW-CYBMUJFWSA-N 1 0 399.304 2.842 20 0 GFADRO COC(=O)c1scc(C)c1S(=O)(=O)NC[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000599389805 565674951 /nfs/dbraw/zinc/67/49/51/565674951.db2.gz BLAAERMYJJXRIR-CQSZACIVSA-N 1 0 386.539 2.528 20 0 GFADRO C[C@@H](Sc1cc(Cl)ccc1Cl)C(=O)N(C)CCN1CC[NH2+]CC1 ZINC000647774416 565675860 /nfs/dbraw/zinc/67/58/60/565675860.db2.gz BTRJGWYERPRHAW-GFCCVEGCSA-N 1 0 376.353 2.838 20 0 GFADRO C[C@H]1C[C@@H](N(C)C(=O)c2cc(Br)cc3[nH]c(=O)[nH]c32)CC[N@@H+]1C ZINC000669129022 565678796 /nfs/dbraw/zinc/67/87/96/565678796.db2.gz RYSMNNASKUSZRI-ONGXEEELSA-N 1 0 381.274 2.586 20 0 GFADRO CC(=O)NC[C@@H]1CCCC[N@@H+]1C[C@@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000626154196 565680103 /nfs/dbraw/zinc/68/01/03/565680103.db2.gz JMEOFXMUFGTLRV-UONOGXRCSA-N 1 0 375.296 2.724 20 0 GFADRO CC(=O)NC[C@H]1CCCC[N@@H+]1C[C@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000626154195 565680229 /nfs/dbraw/zinc/68/02/29/565680229.db2.gz JMEOFXMUFGTLRV-KGLIPLIRSA-N 1 0 375.296 2.724 20 0 GFADRO CNS(=O)(=O)C[C@@H]1CCC[N@H+](CCOc2ccc(Cl)cc2Cl)C1 ZINC000626171372 565681677 /nfs/dbraw/zinc/68/16/77/565681677.db2.gz ZUGGSMHHAWVIBR-GFCCVEGCSA-N 1 0 381.325 2.633 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H]2CN(CC(=O)Nc3c(F)cc(F)cc3Br)C[C@@H]21 ZINC000647907841 565683002 /nfs/dbraw/zinc/68/30/02/565683002.db2.gz BECXLPRTOQVYIP-OLUVUFQESA-N 1 0 388.256 2.725 20 0 GFADRO C[C@H](CCCC[NH3+])NC(=O)NCCNc1ncc(C(F)(F)F)cc1Cl ZINC000669386323 565686938 /nfs/dbraw/zinc/68/69/38/565686938.db2.gz JYSAAJVBKDNLDX-SNVBAGLBSA-N 1 0 381.830 2.982 20 0 GFADRO Cc1c(Br)ccnc1NC(=O)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000669400003 565686983 /nfs/dbraw/zinc/68/69/83/565686983.db2.gz VMTBYGFIXPXHCB-UHFFFAOYSA-N 1 0 398.349 2.642 20 0 GFADRO O=C(NC[C@@H]1CCN(c2cccc(Br)c2)C1)N[C@H]1CCC[NH2+]CC1 ZINC000669411021 565688124 /nfs/dbraw/zinc/68/81/24/565688124.db2.gz KPPGZTDHUONHOI-HOCLYGCPSA-N 1 0 395.345 2.717 20 0 GFADRO CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000669551729 565692182 /nfs/dbraw/zinc/69/21/82/565692182.db2.gz IACXTGWFATVKOZ-RMHZUWNSSA-N 1 0 396.329 2.919 20 0 GFADRO O=C(NCCc1c[nH]c2ccc(Br)cc12)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000669557243 565692286 /nfs/dbraw/zinc/69/22/86/565692286.db2.gz ABHUFTBXADXOIK-KGLIPLIRSA-N 1 0 391.313 2.724 20 0 GFADRO COC(=O)c1cc(NC(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)cc(Br)c1F ZINC000599606542 565692679 /nfs/dbraw/zinc/69/26/79/565692679.db2.gz NIEMCNBPDUFTFF-DTWKUNHWSA-N 1 0 388.237 2.637 20 0 GFADRO CC1([NH3+])CCN(C(=O)N[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)CC1 ZINC000669553885 565692643 /nfs/dbraw/zinc/69/26/43/565692643.db2.gz LGNINOZVNDBRDQ-AWEZNQCLSA-N 1 0 385.295 2.622 20 0 GFADRO O=C(N[C@@H]1CSc2ccc(Br)cc21)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000669572172 565693203 /nfs/dbraw/zinc/69/32/03/565693203.db2.gz HHLVXJWQUARREG-DDTOSNHZSA-N 1 0 382.327 2.989 20 0 GFADRO COc1ccc(Br)cc1C1(NC(=O)[C@@H]2C[NH2+]CCC2(F)F)CC1 ZINC000648191593 565693382 /nfs/dbraw/zinc/69/33/82/565693382.db2.gz RTPGHYCOAAQWKG-LBPRGKRZSA-N 1 0 389.240 2.808 20 0 GFADRO COc1ccc(Br)cc1C1(NC(=O)c2ccnc(C[NH3+])c2)CC1 ZINC000648191451 565693632 /nfs/dbraw/zinc/69/36/32/565693632.db2.gz LYLDQWYSXYGUNS-UHFFFAOYSA-N 1 0 376.254 2.731 20 0 GFADRO Cn1nc2cc(Br)ccc2c1C(=O)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000648188111 565693846 /nfs/dbraw/zinc/69/38/46/565693846.db2.gz RZUJZBUBSKIRCB-LBPRGKRZSA-N 1 0 377.286 2.740 20 0 GFADRO O=C(CCNC(=O)N1CC[C@H]2CC[NH2+][C@H]2C1)Nc1cc(Cl)cc(Cl)c1 ZINC000669592143 565694557 /nfs/dbraw/zinc/69/45/57/565694557.db2.gz CXSFEZICCGPOQZ-ABAIWWIYSA-N 1 0 385.295 2.715 20 0 GFADRO COC(=O)CNC(=O)CC[N@@H+]1CCC[C@@H]1c1ccc(Br)cc1C ZINC000599635229 565695109 /nfs/dbraw/zinc/69/51/09/565695109.db2.gz DOZJHGASZBKGOE-OAHLLOKOSA-N 1 0 383.286 2.574 20 0 GFADRO CC(=O)NCCN(Cc1ccc(Cl)cc1Cl)C(=O)[C@H]1CCCC[N@H+]1C ZINC000669739605 565700019 /nfs/dbraw/zinc/70/00/19/565700019.db2.gz IKSRPRSLTHKLJT-QGZVFWFLSA-N 1 0 386.323 2.942 20 0 GFADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)c1cn2c(n1)CCC2 ZINC000648286523 565700773 /nfs/dbraw/zinc/70/07/73/565700773.db2.gz QABBYUPIRYXFQC-UHFFFAOYSA-N 1 0 391.313 2.796 20 0 GFADRO Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC000669801065 565703771 /nfs/dbraw/zinc/70/37/71/565703771.db2.gz STHIBSZNNFOINR-UHFFFAOYSA-N 1 0 379.306 2.637 20 0 GFADRO CC[N@@H+](Cc1cc(Br)ccc1O[C@@H](C)C(=O)NC)C[C@H]1CCOC1 ZINC000648359269 565706713 /nfs/dbraw/zinc/70/67/13/565706713.db2.gz PYARSCZQSSRHAI-UONOGXRCSA-N 1 0 399.329 2.821 20 0 GFADRO O=C(Nc1ccc(C(F)(F)F)cc1Cl)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000626851571 565713004 /nfs/dbraw/zinc/71/30/04/565713004.db2.gz YDIMXRQNDQHVSY-LBPRGKRZSA-N 1 0 375.778 2.698 20 0 GFADRO [NH3+]CC1(NC(=O)NCC2(c3ccc(Br)cc3)CCC2)CCOCC1 ZINC000626945053 565716205 /nfs/dbraw/zinc/71/62/05/565716205.db2.gz FACQYWMGKWRMGN-UHFFFAOYSA-N 1 0 396.329 2.678 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000626964462 565716983 /nfs/dbraw/zinc/71/69/83/565716983.db2.gz GNAMMHRKFLWTCP-GXTWGEPZSA-N 1 0 397.317 2.526 20 0 GFADRO C[C@@H](CNC(=O)N[C@@H]1CC[NH2+]C12CCC2)Oc1ccc(Br)cc1 ZINC000626989820 565717619 /nfs/dbraw/zinc/71/76/19/565717619.db2.gz KWJSPKCYXJQCMB-SWLSCSKDSA-N 1 0 382.302 2.800 20 0 GFADRO C[C@@H](CNC(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)Oc1ccc(Br)cc1 ZINC000626989616 565717712 /nfs/dbraw/zinc/71/77/12/565717712.db2.gz BSYPYOMQLCDGNJ-DOPJRALCSA-N 1 0 396.329 2.857 20 0 GFADRO CC[C@H](NC(=O)N(C)CCOCC[NH2+]C)c1cc(F)cc(Br)c1 ZINC000627016725 565719705 /nfs/dbraw/zinc/71/97/05/565719705.db2.gz UPCJMQZLGJNSTE-HNNXBMFYSA-N 1 0 390.297 2.917 20 0 GFADRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)NCc1cc(Br)ccc1Br ZINC000627016831 565719786 /nfs/dbraw/zinc/71/97/86/565719786.db2.gz QOSNGWPFPPVCPI-QPUJVOFHSA-N 1 0 391.107 2.761 20 0 GFADRO O=C(c1ccc(Br)cc1F)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000670392536 565721560 /nfs/dbraw/zinc/72/15/60/565721560.db2.gz CDKXGHMKOGAOPP-CQSZACIVSA-N 1 0 385.277 2.915 20 0 GFADRO CC[C@H](Cc1ccc(Br)cc1)NC(=O)N(C)CCOCC[NH2+]C ZINC000627118277 565722853 /nfs/dbraw/zinc/72/28/53/565722853.db2.gz WMPSYSISJBUPAS-MRXNPFEDSA-N 1 0 386.334 2.648 20 0 GFADRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCO[C@@H](c2cccc(Br)c2)C1 ZINC000627168812 565724650 /nfs/dbraw/zinc/72/46/50/565724650.db2.gz HWOFKBYTYXHTKV-ARFHVFGLSA-N 1 0 382.302 2.673 20 0 GFADRO C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)NCc1ccc(Br)c(F)c1F)C2 ZINC000627181063 565724765 /nfs/dbraw/zinc/72/47/65/565724765.db2.gz NIODLRAHLLHKPV-IYBDPMFKSA-N 1 0 388.256 2.868 20 0 GFADRO C[NH2+]CCOCCNC(=O)N[C@@](C)(c1ccc(Br)cc1)C(C)C ZINC000627173911 565725105 /nfs/dbraw/zinc/72/51/05/565725105.db2.gz JNQKKHMWFKVAOX-QGZVFWFLSA-N 1 0 386.334 2.856 20 0 GFADRO CC(C)[C@](C)(NC(=O)NC[C@H]1COCC[NH2+]1)c1ccc(Br)cc1 ZINC000627188131 565726450 /nfs/dbraw/zinc/72/64/50/565726450.db2.gz MCZXDXLSYQAWGU-RDJZCZTQSA-N 1 0 384.318 2.608 20 0 GFADRO COCCN(Cc1cc(Br)cs1)C(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000627201574 565726482 /nfs/dbraw/zinc/72/64/82/565726482.db2.gz BPQCIYBTLCFZQM-WCQYABFASA-N 1 0 390.347 2.809 20 0 GFADRO C[C@H]([C@H](C)NC(=O)c1cc2c(cncc2Br)s1)N1CCOCC1 ZINC000648771052 565727374 /nfs/dbraw/zinc/72/73/74/565727374.db2.gz AUODUBZLJWSJQR-WDEREUQCSA-N 1 0 398.326 2.898 20 0 GFADRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCc2[nH]c3ccc(Br)cc3c2C1 ZINC000627237621 565727447 /nfs/dbraw/zinc/72/74/47/565727447.db2.gz QMYQRIUOBVZVHA-IINYFYTJSA-N 1 0 377.286 2.749 20 0 GFADRO O=C(c1cc(Br)cc2ccccc21)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000627258080 565727951 /nfs/dbraw/zinc/72/79/51/565727951.db2.gz UAHVYJBHCYICJN-JKSUJKDBSA-N 1 0 389.293 2.883 20 0 GFADRO C[C@H](CC(=O)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1)c1ccc(Br)cc1 ZINC000627261204 565728591 /nfs/dbraw/zinc/72/85/91/565728591.db2.gz VULMFDVCXSIPHV-COXVUDFISA-N 1 0 381.314 2.610 20 0 GFADRO Cc1cc(C(C)(C)C(=O)N2CC[C@@H]([N@@H+]3CC[C@@H](O)C3)C2)ccc1Br ZINC000627267776 565730040 /nfs/dbraw/zinc/73/00/40/565730040.db2.gz SDEUYRZRNYHYNY-HZPDHXFCSA-N 1 0 395.341 2.703 20 0 GFADRO Cc1c2cc(C(=O)N3CC[C@@H]([N@@H+]4CC[C@@H](O)C4)C3)[nH]c2ccc1Br ZINC000627271018 565730669 /nfs/dbraw/zinc/73/06/69/565730669.db2.gz PQDHUWOXFWOLFX-CHWSQXEVSA-N 1 0 392.297 2.520 20 0 GFADRO O=C(c1cc2cc(Br)ccc2s1)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000627272447 565731886 /nfs/dbraw/zinc/73/18/86/565731886.db2.gz OQMJTSIFRGSTOD-KBPBESRZSA-N 1 0 395.322 2.945 20 0 GFADRO C[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3[C@@H]4Cc5c(cccc5Br)[C@@H]43)C2)C1 ZINC000627505565 565738428 /nfs/dbraw/zinc/73/84/28/565738428.db2.gz UJEAYLGIQNFNIG-XZKMEQPCSA-N 1 0 375.310 2.889 20 0 GFADRO CCCN(C(=O)c1cc(=O)c2cc(Br)ccc2[nH]1)[C@H]1CC[N@H+](C)C1 ZINC000649000054 565744018 /nfs/dbraw/zinc/74/40/18/565744018.db2.gz NUHBMULNKKQFCI-ZDUSSCGKSA-N 1 0 392.297 2.847 20 0 GFADRO O=C(Cc1ccc(Br)c(F)c1)N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000627740330 565749061 /nfs/dbraw/zinc/74/90/61/565749061.db2.gz LPDNWMQGOJIVCK-UHFFFAOYSA-N 1 0 399.304 2.844 20 0 GFADRO CCOC(=O)COc1c(Br)cc(C)cc1CN[C@@H]1CC[NH2+][C@H]1C ZINC000600777321 565749249 /nfs/dbraw/zinc/74/92/49/565749249.db2.gz ZTEBKVYTTDSELJ-SWLSCSKDSA-N 1 0 385.302 2.539 20 0 GFADRO C[NH2+]C1(CNC(=O)c2ccc(Cl)c(I)c2)CCC1 ZINC000600824039 565751878 /nfs/dbraw/zinc/75/18/78/565751878.db2.gz JHDGKHRKYFPECT-UHFFFAOYSA-N 1 0 378.641 2.817 20 0 GFADRO CSc1nnc(CCC[NH2+][C@H]2CCC[C@@H](S(C)(=O)=O)C2)n1CC(C)C ZINC000671111874 565752943 /nfs/dbraw/zinc/75/29/43/565752943.db2.gz SOVDCPCBYQMSNT-LSDHHAIUSA-N 1 0 388.603 2.534 20 0 GFADRO CCc1nc(CN2CCN(C(=O)[C@@H]([NH3+])c3cccc(Cl)c3)CC2)cs1 ZINC000649308162 565758682 /nfs/dbraw/zinc/75/86/82/565758682.db2.gz PCSBJBWBTCIRIH-KRWDZBQOSA-N 1 0 378.929 2.703 20 0 GFADRO Cc1ccc(CN2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)c(Br)c1 ZINC000649393458 565760186 /nfs/dbraw/zinc/76/01/86/565760186.db2.gz QCKXDMKCXUNFGL-KRWDZBQOSA-N 1 0 380.330 2.672 20 0 GFADRO O[C@H]1CCC[C@@H]1[NH+]1CCN(Cc2cc(Br)cc(F)c2F)CC1 ZINC000649507835 565763365 /nfs/dbraw/zinc/76/33/65/565763365.db2.gz CVJIBXKVLDBTCH-GJZGRUSLSA-N 1 0 375.257 2.758 20 0 GFADRO Cc1cccc(CC(=O)N[C@@H](C)CN(C)CCC[NH+](C)C)c1Br ZINC000628050928 565771760 /nfs/dbraw/zinc/77/17/60/565771760.db2.gz QKKVRSDXFQDKEY-HNNXBMFYSA-N 1 0 384.362 2.688 20 0 GFADRO CC(C)[NH2+][C@H]1CCCN(C(=O)NCCOc2cccc(Br)c2)C1 ZINC000601268500 565772974 /nfs/dbraw/zinc/77/29/74/565772974.db2.gz JRDZPBAATUXQMU-HNNXBMFYSA-N 1 0 384.318 3.000 20 0 GFADRO CS[C@@H]1CN(C(=O)c2ccc3cncc(Br)c3n2)C[C@@H]1[NH+](C)C ZINC000601379925 565779454 /nfs/dbraw/zinc/77/94/54/565779454.db2.gz PPGVFLGKLDNZFA-UONOGXRCSA-N 1 0 395.326 2.510 20 0 GFADRO COCC[N@@H+]1CCN(C[C@H](O)COc2ccc(Cl)cc2Cl)C(C)(C)C1 ZINC000649848249 565781098 /nfs/dbraw/zinc/78/10/98/565781098.db2.gz JOJSOVHWOUKPMI-HNNXBMFYSA-N 1 0 391.339 2.776 20 0 GFADRO Cc1cc([C@H](C)[NH2+]CCCN2CCCS2(=O)=O)sc1Br ZINC000671708395 565783140 /nfs/dbraw/zinc/78/31/40/565783140.db2.gz WHPKQQVUELQKGX-NSHDSACASA-N 1 0 381.361 2.895 20 0 GFADRO CN1C[C@@H]([N@H+](C)Cc2cnn(-c3ccc(Br)cc3)c2)CCC1=O ZINC000628368307 565786273 /nfs/dbraw/zinc/78/62/73/565786273.db2.gz ANENWSOMUUXCKW-INIZCTEOSA-N 1 0 377.286 2.687 20 0 GFADRO CCOC(=O)c1c(NC(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)sc2c1CCSC2 ZINC000601562822 565792116 /nfs/dbraw/zinc/79/21/16/565792116.db2.gz QPJHIAJRDPEORC-PHIMTYICSA-N 1 0 381.523 2.682 20 0 GFADRO Cc1cccc(C(=O)N2CCC[C@@H]3C[NH2+]CC[C@@H]32)c1I ZINC000601559629 565792159 /nfs/dbraw/zinc/79/21/59/565792159.db2.gz VEWNNUOTTFJZFF-OCCSQVGLSA-N 1 0 384.261 2.814 20 0 GFADRO O=C(c1ccc(F)cc1I)N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000601559569 565792230 /nfs/dbraw/zinc/79/22/30/565792230.db2.gz UVTNSYKJAVTHHY-YGRLFVJLSA-N 1 0 388.224 2.644 20 0 GFADRO Cc1cccc2sc(C(=O)NCCC[N@@H+]3CCC[C@H]3C(N)=O)c(Cl)c21 ZINC000628584485 565794920 /nfs/dbraw/zinc/79/49/20/565794920.db2.gz BUDLZRWLRLHQRZ-LBPRGKRZSA-N 1 0 379.913 2.933 20 0 GFADRO C[NH+](C)CCn1nccc1NC(=O)[C@H]1CCOc2ccc(Br)cc21 ZINC000650059027 565795096 /nfs/dbraw/zinc/79/50/96/565795096.db2.gz QVBARQDBSVSUKK-ZDUSSCGKSA-N 1 0 393.285 2.712 20 0 GFADRO CC(C)[NH2+][C@H]1CCCN(c2c(Br)cccc2S(C)(=O)=O)C1 ZINC000672200089 565798425 /nfs/dbraw/zinc/79/84/25/565798425.db2.gz BORRINVJCAZIIL-LBPRGKRZSA-N 1 0 375.332 2.819 20 0 GFADRO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000672309519 565801675 /nfs/dbraw/zinc/80/16/75/565801675.db2.gz VPAQRBCBZSEJBW-MRXNPFEDSA-N 1 0 384.307 2.552 20 0 GFADRO C[N@@H+]1CCCC[C@@H](CNC(=O)CCCS(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000628751655 565806436 /nfs/dbraw/zinc/80/64/36/565806436.db2.gz ANGGAPCCYFIEDN-HNNXBMFYSA-N 1 0 386.945 2.742 20 0 GFADRO CCN(CC[NH+]1CCCCCC1)C(=O)c1cnn2cc(Br)cnc12 ZINC000672514464 565811257 /nfs/dbraw/zinc/81/12/57/565811257.db2.gz URAFCJVRKYOEIU-UHFFFAOYSA-N 1 0 394.317 2.830 20 0 GFADRO C[N@H+](CC(=O)NCc1cc(F)c(Br)cc1F)[C@H]1CCSC1 ZINC000628892533 565813051 /nfs/dbraw/zinc/81/30/51/565813051.db2.gz AVZWLXPDKFYCQW-JTQLQIEISA-N 1 0 379.270 2.781 20 0 GFADRO COC(=O)C[C@H](NC(=O)C[C@H]1CC[N@H+](C)C1)c1ccc(Br)cc1 ZINC000602039473 565816863 /nfs/dbraw/zinc/81/68/63/565816863.db2.gz DBJCATSNHBSMEO-DOMZBBRYSA-N 1 0 383.286 2.511 20 0 GFADRO C[C@@H](NC(=O)NCCn1cc(Br)cn1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000673011746 565824808 /nfs/dbraw/zinc/82/48/08/565824808.db2.gz TXTYUMACTOJAGD-KGLIPLIRSA-N 1 0 398.349 2.598 20 0 GFADRO COC(=O)CCN(Cc1cccc(Br)c1)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000602150517 565826727 /nfs/dbraw/zinc/82/67/27/565826727.db2.gz YAGJPRGUCXINRU-HNNXBMFYSA-N 1 0 397.313 2.683 20 0 GFADRO O=C(N[C@H]1C[C@@H]([NH+]2CCCC2)C1)c1ccc(I)cc1F ZINC000602167220 565828053 /nfs/dbraw/zinc/82/80/53/565828053.db2.gz KFTYWZMCCNMCKS-TXEJJXNPSA-N 1 0 388.224 2.787 20 0 GFADRO C[C@@H]1C[C@H](c2ccc(Br)cc2)CN1C(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000629248438 565831442 /nfs/dbraw/zinc/83/14/42/565831442.db2.gz VAHNBIBEVKFRSV-UWWQBHOKSA-N 1 0 392.341 2.543 20 0 GFADRO C[C@H]1[C@@H](NC(=O)CCn2cc(Br)cn2)CC[N@@H+]1Cc1ccccc1 ZINC000673322124 565831872 /nfs/dbraw/zinc/83/18/72/565831872.db2.gz VXFPEGXCPXCOSU-YOEHRIQHSA-N 1 0 391.313 2.815 20 0 GFADRO Cc1cccc2c1C[C@@H]([NH2+][C@@H](C(N)=O)c1ccc(Br)cc1)CO2 ZINC000629252851 565832710 /nfs/dbraw/zinc/83/27/10/565832710.db2.gz XCBNXNSWIOEVRQ-RHSMWYFYSA-N 1 0 375.266 2.877 20 0 GFADRO CN(C)CC[N@H+](C)CCCN(C)S(=O)(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000673581118 565842345 /nfs/dbraw/zinc/84/23/45/565842345.db2.gz BQWTVHFJKFXQGY-UHFFFAOYSA-N 1 0 396.384 2.639 20 0 GFADRO COc1ccc(C[NH2+][C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)cc1F ZINC000673613963 565842799 /nfs/dbraw/zinc/84/27/99/565842799.db2.gz KACWGWCMVPHFEN-CQSZACIVSA-N 1 0 384.498 2.839 20 0 GFADRO C[NH+](C)CCn1cc(NC(=O)N2CCc3cccc(Br)c3C2)cn1 ZINC000673869943 565851617 /nfs/dbraw/zinc/85/16/17/565851617.db2.gz GVCPNLQUZAILMT-UHFFFAOYSA-N 1 0 392.301 2.797 20 0 GFADRO C[S@](=O)C1(C(=O)N(Cc2ccc(F)cc2Cl)CC2CC2)CC[NH2+]CC1 ZINC000602526411 565852442 /nfs/dbraw/zinc/85/24/42/565852442.db2.gz WMOIIFGIYVBADY-VWLOTQADSA-N 1 0 386.920 2.718 20 0 GFADRO COC(=O)[C@@H]1CCCC[C@]1(C)[NH2+]Cc1cnn2cc(Br)cnc12 ZINC000602510015 565852472 /nfs/dbraw/zinc/85/24/72/565852472.db2.gz QMIRWDCYDZPKBX-BBRMVZONSA-N 1 0 381.274 2.703 20 0 GFADRO COC(=O)CC[C@H]([NH3+])C(=O)N1CCC[C@H]1c1ccc(Br)cc1C ZINC000602555373 565855428 /nfs/dbraw/zinc/85/54/28/565855428.db2.gz MAJLKCQCRNXPPO-GJZGRUSLSA-N 1 0 383.286 2.702 20 0 GFADRO COCCC[NH+]1CCC(Nc2ncnc3cc(Br)sc32)CC1 ZINC000651304912 565855650 /nfs/dbraw/zinc/85/56/50/565855650.db2.gz TZNRKRUEWBINAZ-UHFFFAOYSA-N 1 0 385.331 3.367 20 0 GFADRO [NH3+]CC1(NC(=O)c2cc(F)c(F)cc2I)CCCCC1 ZINC000602599521 565856201 /nfs/dbraw/zinc/85/62/01/565856201.db2.gz ANKTYKBKVLDMAF-UHFFFAOYSA-N 1 0 394.203 2.961 20 0 GFADRO C[C@@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH2+]C[C@H]1COCCN1 ZINC000629538600 565857864 /nfs/dbraw/zinc/85/78/64/565857864.db2.gz UDPIMYLUMMBVGL-JQWIXIFHSA-N 1 0 379.810 2.654 20 0 GFADRO [NH3+]C[C@@H]1CN([C@@H]2CCN(c3cccc(Cl)c3)C2=O)CC[C@@H]1C(F)(F)F ZINC000629563117 565859108 /nfs/dbraw/zinc/85/91/08/565859108.db2.gz QAUNCOIPRYHGST-BYCMXARLSA-N 1 0 375.822 2.904 20 0 GFADRO COc1ccc(Cl)cc1NC(=O)CN1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629567195 565859176 /nfs/dbraw/zinc/85/91/76/565859176.db2.gz PAQSTGXUWNPXOS-PWSUYJOCSA-N 1 0 379.810 2.746 20 0 GFADRO CCOC(=O)c1cc(C[NH2+]C[C@H](CO)Cc2cccc(Br)c2)on1 ZINC000602638263 565859843 /nfs/dbraw/zinc/85/98/43/565859843.db2.gz OUNVSDCLBBGEMI-CYBMUJFWSA-N 1 0 397.269 2.555 20 0 GFADRO COc1ccc(Cl)cc1NC(=O)CN1CCC[C@@H](C[NH3+])[C@H]1C(F)(F)F ZINC000629583695 565860813 /nfs/dbraw/zinc/86/08/13/565860813.db2.gz JPDNNCXVIWEUKU-BONVTDFDSA-N 1 0 379.810 2.889 20 0 GFADRO COc1ncc(Br)cc1C[NH2+]C[C@@H](O)COc1cc(C)cc(C)c1 ZINC000629592728 565861799 /nfs/dbraw/zinc/86/17/99/565861799.db2.gz DHJVMHBJXROZOU-MRXNPFEDSA-N 1 0 395.297 2.999 20 0 GFADRO C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@H](CCO)c1cc(Cl)cc(Cl)c1 ZINC000629588116 565861849 /nfs/dbraw/zinc/86/18/49/565861849.db2.gz HXNSFSYUMZVXAL-BLLLJJGKSA-N 1 0 375.296 2.501 20 0 GFADRO C[NH+](C)[C@]1(CNC(=O)c2cnc(-c3ccccc3Cl)nc2)CCSC1 ZINC000651434659 565863231 /nfs/dbraw/zinc/86/32/31/565863231.db2.gz DZMBGFPXDOHYGL-SFHVURJKSA-N 1 0 376.913 2.964 20 0 GFADRO O[C@H](C[NH2+][C@H]1CO[C@@H](C2CC2)C1)COc1ccc(Cl)cc1Br ZINC000629606290 565863556 /nfs/dbraw/zinc/86/35/56/565863556.db2.gz BVWDEGRHEXQGRM-XJKCOSOUSA-N 1 0 390.705 2.999 20 0 GFADRO COC1CC[NH+](CCNC(=O)[C@H](C)Oc2cc(Cl)cc(Cl)c2)CC1 ZINC000674311348 565867235 /nfs/dbraw/zinc/86/72/35/565867235.db2.gz CLIUDOPVKSGRIN-LBPRGKRZSA-N 1 0 375.296 2.988 20 0 GFADRO O=C(CCCCN1CCOCC1)N1CCc2cc(F)cc(Br)c2C1 ZINC000629740894 565867296 /nfs/dbraw/zinc/86/72/96/565867296.db2.gz MJXBAVNPURIRPJ-UHFFFAOYSA-N 1 0 399.304 2.975 20 0 GFADRO COC1CC[NH+](CCNC(=O)[C@H](C)Oc2ccc(C)cc2Br)CC1 ZINC000674310895 565867322 /nfs/dbraw/zinc/86/73/22/565867322.db2.gz PPQIKERRMCHOPW-AWEZNQCLSA-N 1 0 399.329 2.752 20 0 GFADRO COC1CCN(CC[NH2+]CC2=Cc3cc(Br)ccc3OC2)CC1 ZINC000674336065 565870454 /nfs/dbraw/zinc/87/04/54/565870454.db2.gz XSLIOFAIBCWSKS-UHFFFAOYSA-N 1 0 381.314 2.925 20 0 GFADRO C[N@H+](CC(=O)NC[C@H]1CCN(c2cccc(Br)c2)C1)C1CCC1 ZINC000629952027 565878297 /nfs/dbraw/zinc/87/82/97/565878297.db2.gz HUXNNEFUGKICEZ-CQSZACIVSA-N 1 0 380.330 2.876 20 0 GFADRO O[C@H](C[N@@H+]1CC[C@@H](c2cccc(Br)c2)C1)CC1(O)CCOCC1 ZINC000630048075 565880911 /nfs/dbraw/zinc/88/09/11/565880911.db2.gz YNDQIBMXGLPGEZ-WBVHZDCISA-N 1 0 384.314 2.531 20 0 GFADRO O[C@H](C[N@@H+]1CCC[C@H]1c1cccc(Br)c1)CC1(O)CCOCC1 ZINC000630039306 565880976 /nfs/dbraw/zinc/88/09/76/565880976.db2.gz XFBSKIBYVWGPHE-IRXDYDNUSA-N 1 0 384.314 2.879 20 0 GFADRO C[C@@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH2+][C@H]1C[C@@H](C(N)=O)C1 ZINC000651939455 565905912 /nfs/dbraw/zinc/90/59/12/565905912.db2.gz GKEHDIQPFSTYMI-ATZCPNFKSA-N 1 0 377.794 2.929 20 0 GFADRO CN(C)c1ncc(Br)cc1C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000603462395 565908219 /nfs/dbraw/zinc/90/82/19/565908219.db2.gz CTTJUJVPEMNCOK-UHFFFAOYSA-N 1 0 383.334 2.904 20 0 GFADRO C[N@@H+]1CCCN(CCCNC(=O)c2cc(Br)ccc2Cl)CC1 ZINC000603812555 565916162 /nfs/dbraw/zinc/91/61/62/565916162.db2.gz VMILVOJDXHFJOO-UHFFFAOYSA-N 1 0 388.737 2.860 20 0 GFADRO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCN(C(=O)NCc3ccccc3Br)C2)C1 ZINC000652142620 565916855 /nfs/dbraw/zinc/91/68/55/565916855.db2.gz XEVLKUDOEIVFLL-ZMSDIMECSA-N 1 0 396.329 2.877 20 0 GFADRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc2cncc(Br)c2n1 ZINC000630750227 565918185 /nfs/dbraw/zinc/91/81/85/565918185.db2.gz XYJPVRCTSZTHSA-DZGCQCFKSA-N 1 0 375.270 2.749 20 0 GFADRO C[C@@]1(c2cccc(Br)c2)C[C@@H]1C(=O)NCCCC[NH+]1CCOCC1 ZINC000630751016 565918430 /nfs/dbraw/zinc/91/84/30/565918430.db2.gz KSTPIIGCRAJPMW-MJGOQNOKSA-N 1 0 395.341 2.955 20 0 GFADRO C[C@H](CNC(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1)Oc1ccc(Br)cc1 ZINC000652161346 565918557 /nfs/dbraw/zinc/91/85/57/565918557.db2.gz LOELFVCKPWDSFE-GLJUWKHASA-N 1 0 396.329 2.987 20 0 GFADRO CC(C)C[C@H](CNC(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1)[NH+](C)C ZINC000603892493 565918793 /nfs/dbraw/zinc/91/87/93/565918793.db2.gz TZRHVKUUJVLYEA-OAHLLOKOSA-N 1 0 386.945 2.739 20 0 GFADRO C[C@@H](CNC(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1)Oc1ccc(Br)cc1 ZINC000652161345 565918953 /nfs/dbraw/zinc/91/89/53/565918953.db2.gz LOELFVCKPWDSFE-DEYYWGMASA-N 1 0 396.329 2.987 20 0 GFADRO O=C1NC(=O)C2(CCC([NH2+]C3(c4ccccc4Br)CCC3)CC2)N1 ZINC000652218753 565919415 /nfs/dbraw/zinc/91/94/15/565919415.db2.gz ZUQSWZAQSNLBNV-UHFFFAOYSA-N 1 0 392.297 2.939 20 0 GFADRO Clc1cccc2c1SCC[C@H]2[NH2+][C@H]1CCN(CCN2CCOCC2)C1 ZINC000675886945 565920058 /nfs/dbraw/zinc/92/00/58/565920058.db2.gz PYLJYENOPBYASQ-MAUKXSAKSA-N 1 0 381.973 2.873 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(S(=O)(=O)c3cc(Cl)cc(Cl)c3)C2)C1 ZINC000652374998 565925521 /nfs/dbraw/zinc/92/55/21/565925521.db2.gz GVCAKMITZKGLHP-PEYYIBSZSA-N 1 0 393.336 2.900 20 0 GFADRO C[N@@H+]1CCC[C@@H](NC(=O)c2ccc(Cl)c(I)c2)C1 ZINC000604199696 565925858 /nfs/dbraw/zinc/92/58/58/565925858.db2.gz TVRSKLVRKOUFHJ-SNVBAGLBSA-N 1 0 378.641 2.769 20 0 GFADRO COc1cc(Br)cc(S(=O)(=O)N2CCC[C@@H](C)[C@@H]2CC[NH3+])c1 ZINC000652377951 565926611 /nfs/dbraw/zinc/92/66/11/565926611.db2.gz TUXANVQVALXZSM-ABAIWWIYSA-N 1 0 391.331 2.596 20 0 GFADRO C[NH+](C)CCn1cc(C(=O)Nc2nnc(-c3cccc(Cl)c3)s2)cn1 ZINC000630909673 565927454 /nfs/dbraw/zinc/92/74/54/565927454.db2.gz YALKATXPRCQFEA-UHFFFAOYSA-N 1 0 376.873 2.869 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2S(=O)(=O)c2cc(F)ccc2Cl)C1 ZINC000652383628 565927502 /nfs/dbraw/zinc/92/75/02/565927502.db2.gz BNNSKITWQKRBPM-YUELXQCFSA-N 1 0 376.881 2.529 20 0 GFADRO CC(C)C[N@H+](C)CCCNC(=O)C(=O)N(C)Cc1ccccc1Br ZINC000652389276 565927767 /nfs/dbraw/zinc/92/77/67/565927767.db2.gz KPABKELKTXCXEF-UHFFFAOYSA-N 1 0 398.345 2.502 20 0 GFADRO C[C@H](NC(=O)c1cc(F)ccc1I)C1CC[NH+](C)CC1 ZINC000604562765 565932594 /nfs/dbraw/zinc/93/25/94/565932594.db2.gz NMIUGTIOABRBTJ-JTQLQIEISA-N 1 0 390.240 2.890 20 0 GFADRO CC(C)[NH+]1CCC(Nc2cccc(OC(F)(F)F)c2S(N)(=O)=O)CC1 ZINC000631041032 565935532 /nfs/dbraw/zinc/93/55/32/565935532.db2.gz IJKSGLQYFFOGOK-UHFFFAOYSA-N 1 0 381.420 2.517 20 0 GFADRO [NH3+]CC1(CCNC(=O)C(=O)Nc2ccc(Br)c3ccccc23)CC1 ZINC000652634062 565935927 /nfs/dbraw/zinc/93/59/27/565935927.db2.gz NSEOHMZHFIZTTK-UHFFFAOYSA-N 1 0 390.281 2.786 20 0 GFADRO NS(=O)(=O)c1cc(C[NH2+][C@@H](c2ccccc2)[C@@H]2CCCO2)ccc1Cl ZINC000631055303 565936192 /nfs/dbraw/zinc/93/61/92/565936192.db2.gz OFNSDWQOJDMRDB-WMZOPIPTSA-N 1 0 380.897 2.997 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652627629 565936249 /nfs/dbraw/zinc/93/62/49/565936249.db2.gz DCIUNWCVXIXWDP-UGSOOPFHSA-N 1 0 394.313 2.592 20 0 GFADRO NS(=O)(=O)c1cc(C[NH2+]Cc2cccc(OCC(F)F)c2)ccc1Cl ZINC000631063151 565936370 /nfs/dbraw/zinc/93/63/70/565936370.db2.gz CTNOJETVZYHCFO-UHFFFAOYSA-N 1 0 390.839 2.921 20 0 GFADRO C[C@H](C[NH2+]Cc1ccc(Cl)c(S(N)(=O)=O)c1)COCc1ccccc1 ZINC000631050205 565936419 /nfs/dbraw/zinc/93/64/19/565936419.db2.gz VONXQPUVXLFSRX-CQSZACIVSA-N 1 0 382.913 2.930 20 0 GFADRO Cc1nc(S(=O)(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)sc1C ZINC000676414571 565936717 /nfs/dbraw/zinc/93/67/17/565936717.db2.gz YFVBMFBIJAKBBQ-QGZVFWFLSA-N 1 0 379.551 2.950 20 0 GFADRO O=C(NCCC1CC[NH2+]CC1)C(=O)Nc1ccc(Br)cc1Cl ZINC000652644046 565936984 /nfs/dbraw/zinc/93/69/84/565936984.db2.gz LKLCEMKUZZSDTG-UHFFFAOYSA-N 1 0 388.693 2.547 20 0 GFADRO CCN(CC)[C@H](C[NH2+]Cc1ccc(Cl)c(S(N)(=O)=O)c1)c1ccco1 ZINC000631055260 565936970 /nfs/dbraw/zinc/93/69/70/565936970.db2.gz MWZOGNHLWMOXRX-OAHLLOKOSA-N 1 0 385.917 2.753 20 0 GFADRO O=C(NCCCc1ccc(Cl)cc1Cl)C(=O)NCCC1CC[NH2+]CC1 ZINC000652674453 565937245 /nfs/dbraw/zinc/93/72/45/565937245.db2.gz XBEWWMVHVWZDSS-UHFFFAOYSA-N 1 0 386.323 2.548 20 0 GFADRO C[C@@H](C[NH2+]Cc1cn(C[C@H]2CCOC2)nn1)Oc1ccc(Br)cc1 ZINC000631080944 565938486 /nfs/dbraw/zinc/93/84/86/565938486.db2.gz CPXDJJIUTDICJU-UONOGXRCSA-N 1 0 395.301 2.634 20 0 GFADRO OC[C@@H]1CCN(Cc2ccccc2)C[C@H]1[NH2+]Cc1ccncc1Br ZINC000631075074 565938579 /nfs/dbraw/zinc/93/85/79/565938579.db2.gz AGQSGVAYIWHPIC-PKOBYXMFSA-N 1 0 390.325 2.817 20 0 GFADRO [NH3+]CC1(CCNC(=O)C(=O)N(Cc2cccs2)Cc2cccs2)CC1 ZINC000652713915 565938759 /nfs/dbraw/zinc/93/87/59/565938759.db2.gz ZUENJIZDBNGMOR-UHFFFAOYSA-N 1 0 377.535 2.584 20 0 GFADRO COc1cc(F)c(S(=O)(=O)NC[C@H]2CCC[N@H+](CC(C)C)C2)c(F)c1 ZINC000676493981 565939309 /nfs/dbraw/zinc/93/93/09/565939309.db2.gz CTMSDVMJAANEHZ-CYBMUJFWSA-N 1 0 376.469 2.620 20 0 GFADRO O=c1ccc(C[NH2+]Cc2ccc(Br)cc2N2CCOCC2)c[nH]1 ZINC000631094414 565939478 /nfs/dbraw/zinc/93/94/78/565939478.db2.gz VSHDJSAQDDFOGM-UHFFFAOYSA-N 1 0 378.270 2.676 20 0 GFADRO C[NH+](C)CCOc1cccc(NCc2ccc(Cl)c(S(N)(=O)=O)c2)c1 ZINC000631093133 565940471 /nfs/dbraw/zinc/94/04/71/565940471.db2.gz PNQBIEAPOPEGLF-UHFFFAOYSA-N 1 0 383.901 2.540 20 0 GFADRO CO[C@@H](c1ccc(F)cc1)[C@H](C)[NH2+]Cc1ccc(Cl)c(S(N)(=O)=O)c1 ZINC000631106368 565941422 /nfs/dbraw/zinc/94/14/22/565941422.db2.gz SDFLJVWPGHOYHX-APPDUMDISA-N 1 0 386.876 2.992 20 0 GFADRO COc1cc(C[NH2+][C@@H](CO)C[C@@H](O)C(C)(C)C)c(F)cc1Br ZINC000631131188 565943339 /nfs/dbraw/zinc/94/33/39/565943339.db2.gz KPYKOQMSQLRCDD-IAQYHMDHSA-N 1 0 378.282 2.844 20 0 GFADRO O=C(c1cc(Br)c2nccn2c1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000631148519 565944525 /nfs/dbraw/zinc/94/45/25/565944525.db2.gz FMLLCKYVOXLAPO-CQSZACIVSA-N 1 0 377.286 2.797 20 0 GFADRO C[C@H]1COCCC[N@@H+]1C[C@H](O)COc1ccc(Cl)cc1Br ZINC000676711757 565946264 /nfs/dbraw/zinc/94/62/64/565946264.db2.gz HVDUZWASHWTAOH-AAEUAGOBSA-N 1 0 378.694 2.953 20 0 GFADRO C[C@H]1COCCC[N@@H+]1C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000676711759 565946461 /nfs/dbraw/zinc/94/64/61/565946461.db2.gz HVDUZWASHWTAOH-WCQYABFASA-N 1 0 378.694 2.953 20 0 GFADRO Cc1nc2cc(Br)cc(NC(=O)N[C@@H](C)[C@H]3CN(C)CCO3)c2o1 ZINC000652940314 565947371 /nfs/dbraw/zinc/94/73/71/565947371.db2.gz LVYWVCTZQYADIR-LKFCYVNXSA-N 1 0 397.273 2.739 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+][C@@H]1C[C@H](C)O[C@H]1C ZINC000631223276 565949420 /nfs/dbraw/zinc/94/94/20/565949420.db2.gz SRCSYIGMDYOQMZ-JUFZMCDQSA-N 1 0 385.302 2.618 20 0 GFADRO COc1ccc(Br)cc1C(=O)N1CC[C@H](OCC[NH+]2CCCC2)C1 ZINC000676905009 565954475 /nfs/dbraw/zinc/95/44/75/565954475.db2.gz FMZKUOQUBPVCKZ-HNNXBMFYSA-N 1 0 397.313 2.785 20 0 GFADRO O=C(NC1CCN(Cc2ccc(Br)cc2)CC1)[C@@H]1CCC[NH2+]CC1 ZINC000653124247 565955534 /nfs/dbraw/zinc/95/55/34/565955534.db2.gz VKYMQJOCPJRBKP-MRXNPFEDSA-N 1 0 394.357 2.919 20 0 GFADRO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCN(C(=O)Cc3cc(F)ccc3Br)C2)C1 ZINC000653183266 565957354 /nfs/dbraw/zinc/95/73/54/565957354.db2.gz BROPNHXHCPVPFM-SRCQZFHVSA-N 1 0 399.304 2.876 20 0 GFADRO COc1cc(C(=O)N2CC3CCC2(C[NH3+])CC3)cc(Br)c1OC ZINC000653169450 565957436 /nfs/dbraw/zinc/95/74/36/565957436.db2.gz XZMHACAKGLECCZ-UHFFFAOYSA-N 1 0 383.286 2.810 20 0 GFADRO C[C@H](Oc1ccc(F)cc1Br)C(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000653196225 565958383 /nfs/dbraw/zinc/95/83/83/565958383.db2.gz ALIFYZTXNFGBDY-PRXAMGSTSA-N 1 0 385.277 2.943 20 0 GFADRO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCN(C(=O)Cc3ccccc3Br)C2)C1 ZINC000653188591 565958467 /nfs/dbraw/zinc/95/84/67/565958467.db2.gz MLUAVWYBHPASFK-BFYDXBDKSA-N 1 0 381.314 2.737 20 0 GFADRO CCO[C@@H]1CN(C(=O)c2ccn(-c3ccc(Cl)c(Cl)c3)n2)C[C@H]1C[NH3+] ZINC000653246284 565960127 /nfs/dbraw/zinc/96/01/27/565960127.db2.gz GSNWVMIOSQAXCS-BDJLRTHQSA-N 1 0 383.279 2.615 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2C(=O)C(=O)c2ccc(Br)cc2)C1 ZINC000653262628 565960397 /nfs/dbraw/zinc/96/03/97/565960397.db2.gz GSPWGFQVMRARMQ-PMPSAXMXSA-N 1 0 395.297 2.519 20 0 GFADRO CCO[C@@H]1CN(C(=O)c2cc(Br)cc(OC(C)C)c2)C[C@H]1C[NH3+] ZINC000653247216 565960491 /nfs/dbraw/zinc/96/04/91/565960491.db2.gz QVMJXAUBSDWBPC-CZUORRHYSA-N 1 0 385.302 2.672 20 0 GFADRO CCO[C@@H]1CN(C(=O)CCc2cc(Cl)ccc2Br)C[C@H]1C[NH3+] ZINC000653247118 565960705 /nfs/dbraw/zinc/96/07/05/565960705.db2.gz MNHNELFDHDAUKI-IUODEOHRSA-N 1 0 389.721 2.857 20 0 GFADRO O=C(NCCC1CC[NH2+]CC1)c1ccc(-n2cc(Br)cn2)cc1 ZINC000653269567 565961413 /nfs/dbraw/zinc/96/14/13/565961413.db2.gz ILIZEDHKKKPEMY-UHFFFAOYSA-N 1 0 377.286 2.754 20 0 GFADRO C[NH+](C)[C@@]1(CNC(=O)C(C)(C)c2cccc(C(F)(F)F)n2)CCSC1 ZINC000631618107 565963925 /nfs/dbraw/zinc/96/39/25/565963925.db2.gz FZDTYNXRPOCXCY-MRXNPFEDSA-N 1 0 375.460 2.932 20 0 GFADRO COc1ccc(CNC(=O)N[C@@H](C)C2CC[NH+](C)CC2)cc1Br ZINC000606666125 565968738 /nfs/dbraw/zinc/96/87/38/565968738.db2.gz GOYWWDZDUPBMJH-LBPRGKRZSA-N 1 0 384.318 2.987 20 0 GFADRO CNS(=O)(=O)CCC[NH2+][C@@H]1CCCc2nc(-c3ccc(F)cc3)sc21 ZINC000631711212 565969921 /nfs/dbraw/zinc/96/99/21/565969921.db2.gz RJOWCJFPRXRVPD-CQSZACIVSA-N 1 0 383.514 2.856 20 0 GFADRO CN(CCCC[NH+](C)C)C(=O)[C@@H]1CSCN1C(=O)c1ccc(Cl)cc1 ZINC000607033284 565975599 /nfs/dbraw/zinc/97/55/99/565975599.db2.gz NZXLPQSXMSVCTI-INIZCTEOSA-N 1 0 383.945 2.655 20 0 GFADRO CN(C)c1cc(NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)ncc1Br ZINC000653651225 565975670 /nfs/dbraw/zinc/97/56/70/565975670.db2.gz CHHUTFYUWNTVRK-FUNVUKJBSA-N 1 0 396.333 2.999 20 0 GFADRO CN(CCCC[NH+](C)C)C(=O)[C@H]1CCN(c2ccccc2Br)C1=O ZINC000607038490 565976667 /nfs/dbraw/zinc/97/66/67/565976667.db2.gz YAZOOLMNGHMWEO-CQSZACIVSA-N 1 0 396.329 2.602 20 0 GFADRO C[N@H+](CCOc1ccc(Br)cc1)CC[C@H]1CCS(=O)(=O)C1 ZINC000677675341 565981127 /nfs/dbraw/zinc/98/11/27/565981127.db2.gz CEFNMIDHZLKEKQ-ZDUSSCGKSA-N 1 0 376.316 2.585 20 0 GFADRO NC(=O)[C@@H](c1ccc(Br)cc1F)N1C[C@@H](C[NH3+])Cc2ccccc21 ZINC000631893509 565981393 /nfs/dbraw/zinc/98/13/93/565981393.db2.gz SSGWDVYRFAUQMM-PIGZYNQJSA-N 1 0 392.272 2.752 20 0 GFADRO CC(C)[NH2+][C@H]1CCCN(C(=O)Nc2ccc(NS(C)(=O)=O)c(Cl)c2)C1 ZINC000607216637 565981975 /nfs/dbraw/zinc/98/19/75/565981975.db2.gz HJSLNHUUSACJPH-ZDUSSCGKSA-N 1 0 388.921 2.706 20 0 GFADRO O=S(=O)(c1cscc1Br)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000631923255 565983487 /nfs/dbraw/zinc/98/34/87/565983487.db2.gz QSNHALXPABEZPI-NSHDSACASA-N 1 0 379.345 2.760 20 0 GFADRO C[C@@H](c1nnc(-c2ccc(Cl)cc2Cl)o1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000653827071 565984237 /nfs/dbraw/zinc/98/42/37/565984237.db2.gz SEOILPMWDOGHCJ-WCFLWFBJSA-N 1 0 383.279 2.855 20 0 GFADRO CC[C@H]([NH2+]CC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl)[C@H]1CCCCO1 ZINC000653877352 565986566 /nfs/dbraw/zinc/98/65/66/565986566.db2.gz NKUNMIOZPOARST-GOEBONIOSA-N 1 0 388.917 2.619 20 0 GFADRO COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000631975286 565987607 /nfs/dbraw/zinc/98/76/07/565987607.db2.gz CWTKTQAUIMXROF-UMVBOHGHSA-N 1 0 390.933 2.550 20 0 GFADRO CC(C)[C@@H](NS(=O)(=O)CCCN1CC[NH+](C)CC1)c1ccccc1Cl ZINC000631972506 565987925 /nfs/dbraw/zinc/98/79/25/565987925.db2.gz FWNZSHVIWSDZED-GOSISDBHSA-N 1 0 387.977 2.594 20 0 GFADRO O=S(=O)(CCC[NH+]1CCCC1)NC1(c2ccc(Cl)cc2)CCOCC1 ZINC000631990024 565988798 /nfs/dbraw/zinc/98/87/98/565988798.db2.gz FDYBHYUPPPQGRE-UHFFFAOYSA-N 1 0 386.945 2.751 20 0 GFADRO C[C@H](Cc1ccc(Br)cc1)C(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000677964813 565989542 /nfs/dbraw/zinc/98/95/42/565989542.db2.gz GNRWKKCSSLSFFV-ZTFGCOKTSA-N 1 0 395.341 2.685 20 0 GFADRO C[C@H](C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1)c1ccc(Br)cc1 ZINC000678008834 565993368 /nfs/dbraw/zinc/99/33/68/565993368.db2.gz DUHTZMOLFUUTKH-YJBOKZPZSA-N 1 0 394.357 2.791 20 0 GFADRO C[NH+](C)CCCCC(=O)NC[C@H](CO)Cc1cc(Br)ccc1F ZINC000654075631 565995680 /nfs/dbraw/zinc/99/56/80/565995680.db2.gz QEOOFUIUEOTPGV-CYBMUJFWSA-N 1 0 389.309 2.587 20 0 GFADRO CC[C@H](C[NH+]1CCCC1)NC(=O)N[C@H](CO)c1ccc(Br)cc1 ZINC000678113493 565999744 /nfs/dbraw/zinc/99/97/44/565999744.db2.gz DOVMNIFVMYTNHL-HZPDHXFCSA-N 1 0 384.318 2.656 20 0 GFADRO Cc1c(Br)c[nH]c(=O)c1C(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000632115865 566000746 /nfs/dbraw/zinc/00/07/46/566000746.db2.gz FIMMRQXOKCECRU-ZDUSSCGKSA-N 1 0 382.302 2.662 20 0 GFADRO C[N@@H+]1CCC[C@@H]2CN(S(=O)(=O)c3cscc3Br)CC[C@H]21 ZINC000632112091 566000773 /nfs/dbraw/zinc/00/07/73/566000773.db2.gz MSCHAQZTWVUMRL-ZYHUDNBSSA-N 1 0 379.345 2.615 20 0 GFADRO O=C(N[C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1cc(Br)c2c(c1)OCCO2 ZINC000654312533 566005353 /nfs/dbraw/zinc/00/53/53/566005353.db2.gz WTFCBCLMHLSTEI-GJZGRUSLSA-N 1 0 395.297 2.967 20 0 GFADRO C[NH+](C)CCCS(=O)(=O)N[C@H](Cc1ccc(Cl)cc1)c1ccccn1 ZINC000632165552 566005388 /nfs/dbraw/zinc/00/53/88/566005388.db2.gz JYTXKLLOOUSFQP-GOSISDBHSA-N 1 0 381.929 2.890 20 0 GFADRO COCC[N@@H+]1CC[C@@H](NC(=O)Nc2c(F)cc(Br)cc2F)C1 ZINC000608331356 566010984 /nfs/dbraw/zinc/01/09/84/566010984.db2.gz UFVOKZNHICEKAQ-SNVBAGLBSA-N 1 0 378.217 2.570 20 0 GFADRO C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CC(=O)NC1CCCC1 ZINC000678585286 566013461 /nfs/dbraw/zinc/01/34/61/566013461.db2.gz UFCFBMWPHWXRGP-LBPRGKRZSA-N 1 0 382.302 2.815 20 0 GFADRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CC(=O)Nc3ccc(Br)cc32)C1 ZINC000654549610 566013439 /nfs/dbraw/zinc/01/34/39/566013439.db2.gz YIBGHSUFBCQUFW-HIFRSBDPSA-N 1 0 394.313 2.816 20 0 GFADRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)c2cnc3ncc(Br)cc3c2)C1 ZINC000654549587 566013552 /nfs/dbraw/zinc/01/35/52/566013552.db2.gz SNYRUMNRSHHSMW-HNNXBMFYSA-N 1 0 377.286 2.947 20 0 GFADRO O=C(CNC(=O)c1ccc(Cl)cc1Cl)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000608383301 566013501 /nfs/dbraw/zinc/01/35/01/566013501.db2.gz WPRCHLJBJGPZJN-CYBMUJFWSA-N 1 0 384.307 2.668 20 0 GFADRO C[C@H]([NH2+]CCCN1CCCS1(=O)=O)c1ccc(F)c(Br)c1 ZINC000678581934 566013667 /nfs/dbraw/zinc/01/36/67/566013667.db2.gz FJGCOBZXLISFIA-NSHDSACASA-N 1 0 379.295 2.664 20 0 GFADRO O=S1(=O)CCCN1CCC[NH2+][C@H]1CCc2c1c(Br)ccc2F ZINC000678582471 566013734 /nfs/dbraw/zinc/01/37/34/566013734.db2.gz IMNNIMRVIZFQSR-AWEZNQCLSA-N 1 0 391.306 2.591 20 0 GFADRO O[C@H](COc1ccc(Cl)c(Cl)c1)C[N@@H+]1CCC[C@H]1CN1CCOCC1 ZINC000608501544 566016227 /nfs/dbraw/zinc/01/62/27/566016227.db2.gz DTVKGQXNPTWCQI-GJZGRUSLSA-N 1 0 389.323 2.530 20 0 GFADRO C[C@H](Cc1cccc(Br)c1)NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC000654604166 566017549 /nfs/dbraw/zinc/01/75/49/566017549.db2.gz UEAAFXPXTXWXKZ-CYBMUJFWSA-N 1 0 379.302 2.568 20 0 GFADRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)N2CCOc3c(Br)cccc3C2)C1 ZINC000654665305 566018783 /nfs/dbraw/zinc/01/87/83/566018783.db2.gz BAFVZQYZCRUQMT-XBXGTLAGSA-N 1 0 382.302 2.693 20 0 GFADRO CN(C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000654665552 566018868 /nfs/dbraw/zinc/01/88/68/566018868.db2.gz MOEVVBRODAUOOS-LNNXVMOYSA-N 1 0 386.323 2.933 20 0 GFADRO C[C@H]([NH2+]C[C@@H]1CCC[C@@]12NC(=O)N(C)C2=O)c1ccc(Br)s1 ZINC000679066616 566028907 /nfs/dbraw/zinc/02/89/07/566028907.db2.gz RVDPKKNINBWQJF-AMJWSMQMSA-N 1 0 386.315 2.882 20 0 GFADRO C[C@H]([NH2+]C[C@@H]1CCC[C@]12NC(=O)N(C)C2=O)c1ccc(Br)c(F)c1 ZINC000679066106 566029196 /nfs/dbraw/zinc/02/91/96/566029196.db2.gz PTTRGUWDLPPAHK-ZMNCSTGQSA-N 1 0 398.276 2.959 20 0 GFADRO O=C(Nc1ccc(F)cc1Br)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000654945274 566031473 /nfs/dbraw/zinc/03/14/73/566031473.db2.gz AGBUXPJMUYXXQS-HUUCEWRRSA-N 1 0 398.276 2.660 20 0 GFADRO C[C@H](CNC(=O)c1ccc(I)c(F)c1)[NH+]1CCCC1 ZINC000609188114 566032521 /nfs/dbraw/zinc/03/25/21/566032521.db2.gz QQLRFYJJMBUJOD-SNVBAGLBSA-N 1 0 376.213 2.644 20 0 GFADRO CN(C(C)(C)C[NH+]1CCCC1)S(=O)(=O)Cc1ncsc1Br ZINC000632470268 566035893 /nfs/dbraw/zinc/03/58/93/566035893.db2.gz YQVGABGMKYEAJE-UHFFFAOYSA-N 1 0 396.376 2.542 20 0 GFADRO CC[NH+](CC)CC[C@H](CO)NC(=O)Cc1sc(C)nc1-c1cccs1 ZINC000655047890 566038048 /nfs/dbraw/zinc/03/80/48/566038048.db2.gz ZFGAMLKVNPNNES-CQSZACIVSA-N 1 0 381.567 2.932 20 0 GFADRO Brc1ccc([C@@H]([NH2+]CCCN2CCOCC2)[C@@H]2CCCO2)cc1 ZINC000679329093 566038033 /nfs/dbraw/zinc/03/80/33/566038033.db2.gz ZAKUFWSEMMKHRH-ZWKOTPCHSA-N 1 0 383.330 2.981 20 0 GFADRO CN(C(=O)c1ccc(F)cc1I)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000609509088 566041596 /nfs/dbraw/zinc/04/15/96/566041596.db2.gz GDTCYMWAIHAGEX-GFCCVEGCSA-N 1 0 388.224 2.739 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@H](CNS(=O)(=O)c2cscc2Br)C1 ZINC000632545262 566044598 /nfs/dbraw/zinc/04/45/98/566044598.db2.gz ZPWBDEAJILIZGD-SNVBAGLBSA-N 1 0 381.361 2.909 20 0 GFADRO O=c1[nH]cc(S(=O)(=O)N[C@@H]2CCCCC[N@H+](Cc3ccccc3)C2)s1 ZINC000632626814 566052701 /nfs/dbraw/zinc/05/27/01/566052701.db2.gz UKILAQLRCZOWLM-OAHLLOKOSA-N 1 0 381.523 2.572 20 0 GFADRO C[N@@H+](Cc1ccccc1)C[C@@H](O)CN[C@H](CO)c1ccc(Br)cc1 ZINC000679832845 566055344 /nfs/dbraw/zinc/05/53/44/566055344.db2.gz TXTBYQQIPYWCSJ-RBUKOAKNSA-N 1 0 393.325 2.565 20 0 GFADRO COCC(=O)NC1CC[NH+](CCCc2ccc(Br)cc2OC)CC1 ZINC000680045837 566059571 /nfs/dbraw/zinc/05/95/71/566059571.db2.gz NXAIIUYEVRBEME-UHFFFAOYSA-N 1 0 399.329 2.617 20 0 GFADRO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)c1ccc(F)cc1I ZINC000609984630 566060542 /nfs/dbraw/zinc/06/05/42/566060542.db2.gz SQAVFRZCNWKHFK-CQSZACIVSA-N 1 0 390.240 2.843 20 0 GFADRO [NH3+][C@H](Cc1ccccc1)C(=O)N1CCOc2cccc(Br)c2C1 ZINC000655503751 566060723 /nfs/dbraw/zinc/06/07/23/566060723.db2.gz IKAJLKHJDWHCNI-MRXNPFEDSA-N 1 0 375.266 2.740 20 0 GFADRO COc1cc(Br)ccc1CCCNC(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000680092561 566062306 /nfs/dbraw/zinc/06/23/06/566062306.db2.gz KLNJVHHHZSAIQY-HNNXBMFYSA-N 1 0 384.318 2.784 20 0 GFADRO Cc1cc(C(=O)N[C@H](C[NH3+])C(F)(F)F)c2ccc(Br)cc2n1 ZINC000655514181 566062213 /nfs/dbraw/zinc/06/22/13/566062213.db2.gz NWUGZXNPWYZHEC-GFCCVEGCSA-N 1 0 376.176 2.925 20 0 GFADRO Cc1c(Br)cccc1CS(=O)(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000655600748 566070398 /nfs/dbraw/zinc/07/03/98/566070398.db2.gz KNRZNOWQULNVSU-MRXNPFEDSA-N 1 0 387.343 2.615 20 0 GFADRO Cc1csc(-c2ccc(S(=O)(=O)N3CC[C@@]4(CC[N@@H+](C)C4)C3)cc2)n1 ZINC000655600480 566070492 /nfs/dbraw/zinc/07/04/92/566070492.db2.gz HQIHPBMQZIXCTE-GOSISDBHSA-N 1 0 377.535 2.835 20 0 GFADRO COc1ncc(C(=O)N2C[C@@H](C[NH3+])Cc3ccccc32)cc1Br ZINC000632867966 566072365 /nfs/dbraw/zinc/07/23/65/566072365.db2.gz CCXUGLDXXYFDLR-LLVKDONJSA-N 1 0 376.254 2.631 20 0 GFADRO Cc1cc(F)c(Br)cc1S(=O)(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655632710 566075162 /nfs/dbraw/zinc/07/51/62/566075162.db2.gz QENXUXQHXVJCIQ-PHIMTYICSA-N 1 0 379.295 2.515 20 0 GFADRO CN(C[C@H](O)C[NH3+])C(=O)Nc1nc([C@@H]2CCC[C@@H](C(F)(F)F)C2)cs1 ZINC000632954699 566076210 /nfs/dbraw/zinc/07/62/10/566076210.db2.gz AZSLTCFODUVLEV-GMTAPVOTSA-N 1 0 380.436 2.763 20 0 GFADRO Cc1nn(C)c(NC(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)c1-c1ccc(Br)cc1 ZINC000632951899 566076697 /nfs/dbraw/zinc/07/66/97/566076697.db2.gz YEAXPOMXVMUDPP-KBPBESRZSA-N 1 0 390.285 2.736 20 0 GFADRO CC(C)Oc1cc(NC(=O)C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)ccc1Br ZINC000633007040 566079727 /nfs/dbraw/zinc/07/97/27/566079727.db2.gz ZDDSSVWPRBVETR-NWDGAFQWSA-N 1 0 398.301 2.561 20 0 GFADRO CC(C)Oc1cc(NC(=O)C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)ccc1Br ZINC000633007042 566079749 /nfs/dbraw/zinc/07/97/49/566079749.db2.gz ZDDSSVWPRBVETR-VXGBXAGGSA-N 1 0 398.301 2.561 20 0 GFADRO O=S(=O)(Cc1ccccc1Br)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000655668284 566080159 /nfs/dbraw/zinc/08/01/59/566080159.db2.gz OZKKOBJDZGMDEU-JKSUJKDBSA-N 1 0 387.343 2.885 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000633036077 566080319 /nfs/dbraw/zinc/08/03/19/566080319.db2.gz FZZQXWNBODEFDQ-MQMHXKEQSA-N 1 0 382.302 2.638 20 0 GFADRO C[C@H]1C[C@H]([NH3+])CN1C(=O)C(=O)Nc1ccc(Br)c(Cl)c1Cl ZINC000633040465 566080574 /nfs/dbraw/zinc/08/05/74/566080574.db2.gz PRAMFZAKVPNWBI-BQBZGAKWSA-N 1 0 395.084 2.643 20 0 GFADRO Cc1cc(NC(=O)C(=O)N[C@H]2CC[C@H](C[NH3+])CC2)cc(C)c1Br ZINC000633034923 566080652 /nfs/dbraw/zinc/08/06/52/566080652.db2.gz BEEUFZPPNKZKLI-JOCQHMNTSA-N 1 0 382.302 2.638 20 0 GFADRO COc1cc(Cl)c(S(=O)(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1OC ZINC000655667837 566080630 /nfs/dbraw/zinc/08/06/30/566080630.db2.gz JLJHGYHRGKQDMO-KGLIPLIRSA-N 1 0 388.917 2.652 20 0 GFADRO O[C@@H]1CCC[C@H]1[NH+]1CCN(c2ncnc3cc(F)c(Br)cc32)CC1 ZINC000680829160 566083521 /nfs/dbraw/zinc/08/35/21/566083521.db2.gz ZSVIGSCXALACGO-HZPDHXFCSA-N 1 0 395.276 2.567 20 0 GFADRO Cc1nn(-c2cccc(Br)c2)cc1C[NH2+][C@@H](C)CN1CCOCC1 ZINC000655713336 566083786 /nfs/dbraw/zinc/08/37/86/566083786.db2.gz YSOPEWIPDQPGSF-AWEZNQCLSA-N 1 0 393.329 2.754 20 0 GFADRO CN1CC[NH+]([C@H]2CC[C@@H](NC(=O)c3ccc(F)cc3Br)CC2)CC1 ZINC000680842241 566084081 /nfs/dbraw/zinc/08/40/81/566084081.db2.gz ZFOJKHOFWWJWAC-GASCZTMLSA-N 1 0 398.320 2.877 20 0 GFADRO Cc1nn(-c2cccc(Br)c2)cc1C[NH2+][C@H]1CCCCNC1=O ZINC000655714927 566084561 /nfs/dbraw/zinc/08/45/61/566084561.db2.gz GAIXSGVIRJNHPS-INIZCTEOSA-N 1 0 377.286 2.702 20 0 GFADRO Cc1nn(-c2cccc(Br)c2)cc1C[NH2+]CC1(O)CCOCC1 ZINC000655731220 566084609 /nfs/dbraw/zinc/08/46/09/566084609.db2.gz VPTWBYDUSMTASJ-UHFFFAOYSA-N 1 0 380.286 2.574 20 0 GFADRO Cc1cc(C)c(Br)c(C(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c1 ZINC000680868641 566086532 /nfs/dbraw/zinc/08/65/32/566086532.db2.gz FRRYNASWYLYHPM-HZPDHXFCSA-N 1 0 381.314 2.737 20 0 GFADRO Cc1cc(C)c(Br)c(C(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c1 ZINC000680868642 566086732 /nfs/dbraw/zinc/08/67/32/566086732.db2.gz FRRYNASWYLYHPM-JKSUJKDBSA-N 1 0 381.314 2.737 20 0 GFADRO C[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3[C@@H]4Cc5cc(Br)ccc5[C@@H]43)C2)C1 ZINC000633188462 566088541 /nfs/dbraw/zinc/08/85/41/566088541.db2.gz MXOGVFNCQDBVCA-NTDBWNAOSA-N 1 0 375.310 2.889 20 0 GFADRO Cc1nn(-c2ccccc2Br)cc1C[NH2+][C@@H](CO)[C@@H]1CCCOC1 ZINC000655781795 566089975 /nfs/dbraw/zinc/08/99/75/566089975.db2.gz SLNGRIGYIFUPNT-PBHICJAKSA-N 1 0 394.313 2.820 20 0 GFADRO Cc1ccc(Cl)cc1N1CC[C@@H](CNC(=O)N[C@@H](C[NH3+])C(F)(F)F)C1 ZINC000655913859 566095789 /nfs/dbraw/zinc/09/57/89/566095789.db2.gz BZEQGLCNFTUHPT-FZMZJTMJSA-N 1 0 378.826 2.664 20 0 GFADRO CC[C@@H](Cc1ccccc1Br)NC(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000655922336 566096696 /nfs/dbraw/zinc/09/66/96/566096696.db2.gz UFAKPIWNBWKLRC-JQWIXIFHSA-N 1 0 382.224 2.959 20 0 GFADRO Cc1c(Br)cccc1CS(=O)(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000655950234 566097874 /nfs/dbraw/zinc/09/78/74/566097874.db2.gz IWQNGWSIIFYPMK-CHWSQXEVSA-N 1 0 375.332 2.647 20 0 GFADRO CC[C@H](C)Sc1ccc(NC(=O)C(=O)N[C@@H](C[NH3+])C(F)(F)F)c(C)c1 ZINC000655958552 566098931 /nfs/dbraw/zinc/09/89/31/566098931.db2.gz MYBQLDOGEITLTD-GWCFXTLKSA-N 1 0 377.432 2.830 20 0 GFADRO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)N1CCOc2cccc(Br)c2C1 ZINC000655963266 566100386 /nfs/dbraw/zinc/10/03/86/566100386.db2.gz MXGYBKBSDKXGDC-SWLSCSKDSA-N 1 0 382.302 2.871 20 0 GFADRO CC[N@H+](C)Cc1cccc(CNC(=O)NCc2c(Br)cnn2C)c1 ZINC000633445814 566104068 /nfs/dbraw/zinc/10/40/68/566104068.db2.gz LOUXXGJXZUQEJO-UHFFFAOYSA-N 1 0 394.317 2.634 20 0 GFADRO C[C@@H](NC(=O)Cc1ccccc1I)C1CC[NH+](C)CC1 ZINC000610923735 566105785 /nfs/dbraw/zinc/10/57/85/566105785.db2.gz JGDNSXUSVARPHY-GFCCVEGCSA-N 1 0 386.277 2.680 20 0 GFADRO C[C@H](NC(=O)Cc1ccccc1I)C1CC[NH+](C)CC1 ZINC000610923736 566105859 /nfs/dbraw/zinc/10/58/59/566105859.db2.gz JGDNSXUSVARPHY-LBPRGKRZSA-N 1 0 386.277 2.680 20 0 GFADRO C[N@@H+]1CCC[C@@H](NC(=O)Nc2cccc(F)c2I)C1 ZINC000611162920 566118708 /nfs/dbraw/zinc/11/87/08/566118708.db2.gz UHKYTFQFPCONEJ-SECBINFHSA-N 1 0 377.201 2.646 20 0 GFADRO CS[C@H]1CN(Cc2cc3c(cc2Br)OCCO3)C[C@@H]1[NH+](C)C ZINC000611191255 566120649 /nfs/dbraw/zinc/12/06/49/566120649.db2.gz KDOFOKAUGXDRDX-BBRMVZONSA-N 1 0 387.343 2.698 20 0 GFADRO COC[C@@]1(CO)CC[N@H+](Cc2cn(-c3cccc(Br)c3)nc2C)C1 ZINC000656261504 566120944 /nfs/dbraw/zinc/12/09/44/566120944.db2.gz DBBBRQFSUJSZSD-SFHVURJKSA-N 1 0 394.313 2.774 20 0 GFADRO CS[C@H]1CN(C(=O)c2ccc(Cl)c(N3CCCC3=O)c2)C[C@H]1[NH+](C)C ZINC000611217291 566121914 /nfs/dbraw/zinc/12/19/14/566121914.db2.gz NXJRYBQDXYDEIM-CVEARBPZSA-N 1 0 381.929 2.584 20 0 GFADRO CC1([NH+]2CCCC2)CCN(C(=O)c2c(Cl)cccc2S(C)(=O)=O)CC1 ZINC000633945044 566132792 /nfs/dbraw/zinc/13/27/92/566132792.db2.gz WSQMZVZNAYEREL-UHFFFAOYSA-N 1 0 384.929 2.834 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1cnc2ncc(Br)cc2c1 ZINC000681960451 566135153 /nfs/dbraw/zinc/13/51/53/566135153.db2.gz IJBAGKZADGHSJU-HUUCEWRRSA-N 1 0 375.270 2.749 20 0 GFADRO CC[C@H](C[NH+]1CCCC1)NC(=O)c1cnc2ncc(Br)cc2c1 ZINC000681999029 566137683 /nfs/dbraw/zinc/13/76/83/566137683.db2.gz ZNBUUHVTUQHDIJ-OAHLLOKOSA-N 1 0 377.286 2.997 20 0 GFADRO CCCCNC(=O)Cc1noc(-c2sc3c(c2Br)C[NH2+]C3)n1 ZINC000656558725 566141068 /nfs/dbraw/zinc/14/10/68/566141068.db2.gz BLUIOIQFENYIIB-UHFFFAOYSA-N 1 0 385.287 2.623 20 0 GFADRO CC1(C)CN(C(=O)Nc2ccc(OC(F)F)c(Cl)c2)CC[N@@H+]1CCO ZINC000682043836 566141393 /nfs/dbraw/zinc/14/13/93/566141393.db2.gz BKLHYIVYSBMREJ-UHFFFAOYSA-N 1 0 377.819 2.862 20 0 GFADRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)c2cncc(Br)c2C)C1 ZINC000611806501 566143203 /nfs/dbraw/zinc/14/32/03/566143203.db2.gz IYHJRXYSLGIWCA-CQSZACIVSA-N 1 0 384.318 2.725 20 0 GFADRO CN(CC1([NH+](C)C)CCC1)C(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000682172770 566144916 /nfs/dbraw/zinc/14/49/16/566144916.db2.gz UVRWAVUIJZSTCM-UHFFFAOYSA-N 1 0 384.929 2.589 20 0 GFADRO Cc1cc(Br)cc(NC(=O)C(=O)N[C@@H](C)C2CC[NH+](C)CC2)c1 ZINC000682191955 566146565 /nfs/dbraw/zinc/14/65/65/566146565.db2.gz GGNQEDLSQRLCRM-LBPRGKRZSA-N 1 0 382.302 2.543 20 0 GFADRO CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)Nc1c(C)cc(C)cc1Br ZINC000682272258 566148928 /nfs/dbraw/zinc/14/89/28/566148928.db2.gz JTHCHIDJACVAQZ-CQSZACIVSA-N 1 0 396.329 2.995 20 0 GFADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)Nc1c(C)cc(Br)cc1C ZINC000682272294 566149206 /nfs/dbraw/zinc/14/92/06/566149206.db2.gz IFIVVFMVXMJBRT-HNNXBMFYSA-N 1 0 396.329 2.995 20 0 GFADRO CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)Nc1ccc(Br)cc1F ZINC000682274077 566149376 /nfs/dbraw/zinc/14/93/76/566149376.db2.gz WEWLBMPUXWNIBD-GFCCVEGCSA-N 1 0 386.265 2.517 20 0 GFADRO CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)Nc2ccc(F)c(Br)c2)C1 ZINC000682352651 566151039 /nfs/dbraw/zinc/15/10/39/566151039.db2.gz RRUVOCLPEYTJDC-LBPRGKRZSA-N 1 0 386.265 2.516 20 0 GFADRO Cc1cc(C(F)(F)F)ccc1C[NH2+][C@H]1CCO[C@]2(CCS(=O)(=O)C2)C1 ZINC000682374373 566151149 /nfs/dbraw/zinc/15/11/49/566151149.db2.gz SBHPIBMZMBFGCI-JKSUJKDBSA-N 1 0 377.428 2.840 20 0 GFADRO C[C@H]([NH3+])[C@H](C)C(=O)NC1CCN(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000634299471 566151253 /nfs/dbraw/zinc/15/12/53/566151253.db2.gz SAODKFDOPAQBSG-RYUDHWBXSA-N 1 0 397.317 2.545 20 0 GFADRO CCO[C@H](CC[NH+](C)C)CNC(=O)Cc1ccc(Br)cc1F ZINC000612101182 566151836 /nfs/dbraw/zinc/15/18/36/566151836.db2.gz HVCMQTRKPAKLFU-CQSZACIVSA-N 1 0 375.282 2.604 20 0 GFADRO CC(C)(C)N1CC[C@H]1C[NH2+]CCS(=O)(=O)c1cccc(Br)c1 ZINC000656702272 566155455 /nfs/dbraw/zinc/15/54/55/566155455.db2.gz NONLXIWFHGUQAW-AWEZNQCLSA-N 1 0 389.359 2.685 20 0 GFADRO Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)c3c[nH]c(=O)c(Br)c3)C2)cc1 ZINC000634456824 566155902 /nfs/dbraw/zinc/15/59/02/566155902.db2.gz LPPZRAXIFOCORP-HNNXBMFYSA-N 1 0 390.281 2.862 20 0 GFADRO COc1cccc(-c2n[nH]cc2C[NH2+]Cc2ccc(S(C)(=O)=O)s2)c1 ZINC000682475563 566156121 /nfs/dbraw/zinc/15/61/21/566156121.db2.gz AOXLPSGSZMQIQB-UHFFFAOYSA-N 1 0 377.491 2.840 20 0 GFADRO CN(Cc1ccc(Br)cc1)C(=O)NCC(C)(C)N1CC[NH+](C)CC1 ZINC000612332293 566158037 /nfs/dbraw/zinc/15/80/37/566158037.db2.gz WBSZSFVBDTUKPD-UHFFFAOYSA-N 1 0 397.361 2.617 20 0 GFADRO CC(C)[C@H](C[NH2+][C@@H](C(N)=O)c1ccc(Br)cc1F)c1ccnn1C ZINC000682614242 566166142 /nfs/dbraw/zinc/16/61/42/566166142.db2.gz UPCWVJRFENPTGC-XJKSGUPXSA-N 1 0 397.292 2.878 20 0 GFADRO C[NH+](C)CCn1cc(NC(=O)C2(c3ccccc3Br)CC2)cn1 ZINC000682709529 566168333 /nfs/dbraw/zinc/16/83/33/566168333.db2.gz MNHFKQRUWILDCP-UHFFFAOYSA-N 1 0 377.286 2.878 20 0 GFADRO C[C@](O)(C[C@@H](O)C[NH2+][C@@H]1CCN(c2ccc(Br)cc2)C1)C1CC1 ZINC000634702659 566170689 /nfs/dbraw/zinc/17/06/89/566170689.db2.gz JUQFUWFAQDKZFQ-NXHRZFHOSA-N 1 0 383.330 2.529 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CC[NH2+]C[C@@H](O)C[C@](C)(O)C1CC1 ZINC000634700814 566171209 /nfs/dbraw/zinc/17/12/09/566171209.db2.gz FWSODWXACLZNAH-YJBOKZPZSA-N 1 0 399.329 2.588 20 0 GFADRO C[C@](O)(C[C@H](O)C[NH2+][C@H]1CCN(c2ccccc2Br)C1)C1CC1 ZINC000634704144 566171292 /nfs/dbraw/zinc/17/12/92/566171292.db2.gz GSFBVNYKBUPTKA-MPGHIAIKSA-N 1 0 383.330 2.529 20 0 GFADRO OC[C@@H](C[NH2+]C[C@H](O)COc1cc(Cl)cc(Cl)c1)Cc1cccnc1 ZINC000634719889 566172590 /nfs/dbraw/zinc/17/25/90/566172590.db2.gz AXQLUGHKAZFQDZ-PBHICJAKSA-N 1 0 385.291 2.569 20 0 GFADRO O=S(=O)(Cc1cc(F)ccc1Br)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000656877711 566173564 /nfs/dbraw/zinc/17/35/64/566173564.db2.gz PYVSSRYYDWAWSU-GJZGRUSLSA-N 1 0 391.306 2.634 20 0 GFADRO C[C@H]([NH2+]C[C@H](O)CC1(O)CCOCC1)c1cc(F)c(Br)cc1F ZINC000634722948 566173837 /nfs/dbraw/zinc/17/38/37/566173837.db2.gz XQGJGRVIOZVKIH-WDEREUQCSA-N 1 0 394.256 2.670 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S(=O)(=O)CC[NH2+][C@H]1CCCC12CC2 ZINC000634724827 566173840 /nfs/dbraw/zinc/17/38/40/566173840.db2.gz YJUDPKUGKDFPJL-KRWDZBQOSA-N 1 0 385.551 2.566 20 0 GFADRO C[C@@H]1CCC[N@@H+](C(C)(C)CNS(=O)(=O)c2ncccc2Br)C1 ZINC000656884036 566174447 /nfs/dbraw/zinc/17/44/47/566174447.db2.gz VWRPUQBTYSUCRR-GFCCVEGCSA-N 1 0 390.347 2.633 20 0 GFADRO Cc1ccc(C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)c(C)c1Br ZINC000682900673 566176312 /nfs/dbraw/zinc/17/63/12/566176312.db2.gz IZFYLIMSTXJSSJ-MRXNPFEDSA-N 1 0 394.357 2.918 20 0 GFADRO C[C@H](Cc1cc(Br)ccc1F)NC(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000612974130 566180220 /nfs/dbraw/zinc/18/02/20/566180220.db2.gz DCZPGIXRUZDAEY-IAQYHMDHSA-N 1 0 384.293 2.961 20 0 GFADRO O=C(N[C@H]1CC12CC[NH2+]CC2)N1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000612966446 566180394 /nfs/dbraw/zinc/18/03/94/566180394.db2.gz PIURTGCUJIWRQW-CVEARBPZSA-N 1 0 394.313 2.674 20 0 GFADRO O=C(CCNC(=O)N[C@H]1CC12CC[NH2+]CC2)Nc1cc(Cl)cc(Cl)c1 ZINC000612983254 566181319 /nfs/dbraw/zinc/18/13/19/566181319.db2.gz NZAAJTWBZJOYFI-AWEZNQCLSA-N 1 0 385.295 2.763 20 0 GFADRO O=C(NCCc1c[nH]c2cccc(Br)c12)N[C@@H]1CC12CC[NH2+]CC2 ZINC000612988081 566181774 /nfs/dbraw/zinc/18/17/74/566181774.db2.gz OJYUQAVKTRJVAK-OAHLLOKOSA-N 1 0 391.313 2.914 20 0 GFADRO CCC[N@H+](CC)CCNS(=O)(=O)Cc1cc(F)ccc1Br ZINC000656925167 566184411 /nfs/dbraw/zinc/18/44/11/566184411.db2.gz RYWQAYROXDRTKA-UHFFFAOYSA-N 1 0 381.311 2.740 20 0 GFADRO O=S1(=O)CCC[C@@H]([NH2+]C2CCN(c3nc4ccccc4s3)CC2)CC1 ZINC000634956412 566185587 /nfs/dbraw/zinc/18/55/87/566185587.db2.gz IGSZIPLMYDQBBP-CQSZACIVSA-N 1 0 379.551 2.822 20 0 GFADRO C[C@@H](C[NH2+][C@H]1CCCS(=O)(=O)CC1)Oc1cccc(Br)c1 ZINC000634965862 566186285 /nfs/dbraw/zinc/18/62/85/566186285.db2.gz WAVDZEACHSQSDM-JSGCOSHPSA-N 1 0 376.316 2.773 20 0 GFADRO O=S1(=O)CCC[C@H]([NH2+][C@H]2CCN(c3ccccc3Br)C2)CC1 ZINC000634960722 566186370 /nfs/dbraw/zinc/18/63/70/566186370.db2.gz ATCYZNGBTKBVFD-KBPBESRZSA-N 1 0 387.343 2.585 20 0 GFADRO O=S1(=O)CCC[C@@H]([NH2+][C@@H](CCO)c2cccc(OC(F)(F)F)c2)CC1 ZINC000634984718 566188487 /nfs/dbraw/zinc/18/84/87/566188487.db2.gz AFSYLXQTJVBRNA-HIFRSBDPSA-N 1 0 381.416 2.566 20 0 GFADRO Cn1cc(CCC[NH2+][C@@H]2CCN(c3cccc(Br)c3)C2=O)cn1 ZINC000683340035 566194977 /nfs/dbraw/zinc/19/49/77/566194977.db2.gz CWDYRKUWQPCGBO-MRXNPFEDSA-N 1 0 377.286 2.510 20 0 GFADRO C[N@@H+]1C[C@@H](CNC(=O)C(=O)Nc2cscc2Cl)[C@H](c2ccccc2)C1 ZINC000635202375 566198276 /nfs/dbraw/zinc/19/82/76/566198276.db2.gz IIZFFIHNMQAFDA-KGLIPLIRSA-N 1 0 377.897 2.802 20 0 GFADRO CC(C)[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCO[C@H]2c2cncc(Br)c2)C1 ZINC000613577897 566202053 /nfs/dbraw/zinc/20/20/53/566202053.db2.gz YQXKNYCAOGWHET-BBWFWOEESA-N 1 0 396.329 2.911 20 0 GFADRO CC[N@H+](CC(=O)N1CCN(Cc2ccc(Br)s2)CC1)C(C)C ZINC000613570150 566202653 /nfs/dbraw/zinc/20/26/53/566202653.db2.gz FVJXGJJZTSUDFJ-UHFFFAOYSA-N 1 0 388.375 2.885 20 0 GFADRO Cc1c(F)c(Br)ccc1C(=O)N[C@H](C)CC[NH+]1CCN(C)CC1 ZINC000613602087 566203378 /nfs/dbraw/zinc/20/33/78/566203378.db2.gz GVGLUEOZTVITOF-GFCCVEGCSA-N 1 0 386.309 2.652 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@H](CNS(=O)(=O)c2sccc2Br)C1 ZINC000657033046 566209526 /nfs/dbraw/zinc/20/95/26/566209526.db2.gz GNIFTFQLCSFMKN-SNVBAGLBSA-N 1 0 381.361 2.909 20 0 GFADRO COCCOCC[N@H+](C)CCC(=O)Nc1cc(Br)ccc1F ZINC000635400303 566210596 /nfs/dbraw/zinc/21/05/96/566210596.db2.gz UWZRWCJDYZSTPU-UHFFFAOYSA-N 1 0 377.254 2.512 20 0 GFADRO C[N@@H+]1CC[C@H](CC(=O)NC[C@H]2CCN(c3cccc(Br)c3)C2)C1 ZINC000635419048 566212070 /nfs/dbraw/zinc/21/20/70/566212070.db2.gz KJOJHWJLAWNIHU-HUUCEWRRSA-N 1 0 380.330 2.733 20 0 GFADRO C[C@H](C(=O)N1CCC(C(=O)Nc2ccc(Br)cc2)CC1)[NH+](C)C ZINC000635463542 566214309 /nfs/dbraw/zinc/21/43/09/566214309.db2.gz QTKSLQQWVNLGEO-GFCCVEGCSA-N 1 0 382.302 2.576 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@H](NS(=O)(=O)c2c(F)cccc2OC(F)(F)F)C1 ZINC000657060160 566214745 /nfs/dbraw/zinc/21/47/45/566214745.db2.gz FZDKZHBUYJLZRY-JTQLQIEISA-N 1 0 384.395 2.875 20 0 GFADRO O=C(N[C@H](CCO)c1ccccc1Br)C1CC[NH+](C2CC2)CC1 ZINC000683869265 566217768 /nfs/dbraw/zinc/21/77/68/566217768.db2.gz NHFFCFCIBFWXMO-QGZVFWFLSA-N 1 0 381.314 2.863 20 0 GFADRO Cc1cc(CCC(=O)N2CCC[C@@](O)(C[NH+](C)C)C2)ccc1Br ZINC000683909760 566218332 /nfs/dbraw/zinc/21/83/32/566218332.db2.gz CZWMXLGQSWCSOS-GOSISDBHSA-N 1 0 383.330 2.605 20 0 GFADRO C[C@@H](CCNS(=O)(=O)c1cc(Br)cc2cccnc21)[NH+](C)C ZINC000657093019 566221630 /nfs/dbraw/zinc/22/16/30/566221630.db2.gz VPENUNZTOAFFCV-NSHDSACASA-N 1 0 386.315 2.616 20 0 GFADRO CC[C@@H](C[NH+]1CCCC1)NS(=O)(=O)c1cc(OC)c(OC)cc1Cl ZINC000684105195 566227843 /nfs/dbraw/zinc/22/78/43/566227843.db2.gz ZKHRUAMSPATHJB-LBPRGKRZSA-N 1 0 376.906 2.510 20 0 GFADRO COc1cc(Br)ccc1CCC[NH2+]C[C@H]1CNc2ccnn2C1 ZINC000684200285 566230468 /nfs/dbraw/zinc/23/04/68/566230468.db2.gz IPSHWZWFNHVZPU-ZDUSSCGKSA-N 1 0 379.302 2.918 20 0 GFADRO O=C(CC[N@@H+]1CCC[C@@H](Oc2ccccc2)C1)Nc1cccc(-c2nn[nH]n2)c1 ZINC000737843141 598833929 /nfs/dbraw/zinc/83/39/29/598833929.db2.gz HVPZBMOFHPTTMA-LJQANCHMSA-N 1 0 392.463 2.739 20 0 GFADRO Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)n1C[N@@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000737524688 598850188 /nfs/dbraw/zinc/85/01/88/598850188.db2.gz PVENRWSFBNGAKY-CQSZACIVSA-N 1 0 392.389 2.665 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(CCOc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000736266829 598871515 /nfs/dbraw/zinc/87/15/15/598871515.db2.gz KMSQACHZGSUNFG-QZTJIDSGSA-N 1 0 384.528 2.832 20 0 GFADRO CS[C@H](CO)[C@@H](C)[NH2+]Cc1cccc(OCc2ccccc2-c2nn[nH]n2)c1 ZINC000737169875 598887459 /nfs/dbraw/zinc/88/74/59/598887459.db2.gz FQMSTBFXCXLPHJ-AUUYWEPGSA-N 1 0 399.520 2.648 20 0 GFADRO COc1cc(-c2nn[nH]n2)ccc1Oc1ccc(NC(=O)[C@@H]2CCC[N@@H+]2C)cc1 ZINC000737032323 598890845 /nfs/dbraw/zinc/89/08/45/598890845.db2.gz KUNCPIKDHOZMLT-INIZCTEOSA-N 1 0 394.435 2.700 20 0 GFADRO C[NH+](C)CCCCC(=O)NCc1cccc(-c2ccc(-c3nn[nH]n3)s2)c1 ZINC000736759496 598891568 /nfs/dbraw/zinc/89/15/68/598891568.db2.gz SPRWLTRVGAAPCB-UHFFFAOYSA-N 1 0 384.509 2.943 20 0 GFADRO C[N@H+](CCOc1ccc(-c2nn[nH]n2)cc1)C1CCN(Cc2ccccc2)CC1 ZINC000736800859 598898768 /nfs/dbraw/zinc/89/87/68/598898768.db2.gz CUFFUTPLOUHSGG-UHFFFAOYSA-N 1 0 392.507 2.842 20 0 GFADRO C[C@H](CC1CCCC1)C(=O)N(CC[NH+](C)C)Cc1cccc(-c2nn[nH]n2)c1 ZINC000735984592 598905520 /nfs/dbraw/zinc/90/55/20/598905520.db2.gz FKESCVKVFJFNIE-MRXNPFEDSA-N 1 0 384.528 2.973 20 0 GFADRO OCC[N@H+](CCCOc1ccc(-c2nn[nH]n2)cc1)[C@H]1CCc2ccccc21 ZINC000738394970 598918141 /nfs/dbraw/zinc/91/81/41/598918141.db2.gz ZWJXERWCDHWVLJ-FQEVSTJZSA-N 1 0 379.464 2.617 20 0 GFADRO CC[N@H+](C[C@@H](O)COCc1ccccc1)[C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000736554674 598922930 /nfs/dbraw/zinc/92/29/30/598922930.db2.gz ATUOXGKVMNKFMX-OXJNMPFZSA-N 1 0 381.480 2.827 20 0 GFADRO CC(C)(C)[NH2+]CCNC(=O)c1cccc(Oc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000735623356 598929344 /nfs/dbraw/zinc/92/93/44/598929344.db2.gz MNTWUXYOAMYGNN-UHFFFAOYSA-N 1 0 380.452 2.777 20 0 GFADRO COc1cccc([C@@H](CNc2c3ccccc3nnc2-c2nn[nH]n2)[NH+](C)C)c1 ZINC000737129079 598934915 /nfs/dbraw/zinc/93/49/15/598934915.db2.gz YKWZNIAZPHOCLI-QGZVFWFLSA-N 1 0 390.451 2.533 20 0 GFADRO O=C(NC[C@H]1CCC[N@@H+]1Cc1ccccc1)Nc1ccc(F)c(-c2nn[nH]n2)c1 ZINC000738051049 598967047 /nfs/dbraw/zinc/96/70/47/598967047.db2.gz XWCGHXWROPFSJS-MRXNPFEDSA-N 1 0 395.442 2.792 20 0 GFADRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+]2C[C@H](C)C[C@H]2C)c1-c1nn[nH]n1 ZINC000737202493 598990206 /nfs/dbraw/zinc/99/02/06/598990206.db2.gz MWMSWWICYNHUGD-CHWSQXEVSA-N 1 0 397.483 2.595 20 0 GFADRO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)c1ccc(-c2nn[nH]n2)nc1 ZINC000736268903 598992008 /nfs/dbraw/zinc/99/20/08/598992008.db2.gz VLFZGOXSBRXPAH-HNNXBMFYSA-N 1 0 391.479 2.566 20 0 GFADRO C[C@@H]1C[C@H](c2ccccc2)C[N@@H+]1[C@@H]1CCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000736233708 599079467 /nfs/dbraw/zinc/07/94/67/599079467.db2.gz GXLCYXURGZXPGU-MOXGXCLJSA-N 1 0 388.475 2.850 20 0 GFADRO C[N@H+](Cc1ccc(F)cc1-c1nn[nH]n1)[C@H]1CCCN(c2ccccc2)C1=O ZINC000736818771 599083310 /nfs/dbraw/zinc/08/33/10/599083310.db2.gz BBFPVVMTBPNAPP-SFHVURJKSA-N 1 0 380.427 2.633 20 0 GFADRO NC(=O)[C@H]([NH2+]CC1(c2ccc(F)cc2)CCCC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000737731434 599091504 /nfs/dbraw/zinc/09/15/04/599091504.db2.gz SBCNELAHNLULTA-GOSISDBHSA-N 1 0 394.454 2.634 20 0 GFADRO CCC[N@H+](C)C[C@@H]1CCN(c2c(-c3nn[nH]n3)cnc3c(F)ccc(F)c32)C1 ZINC000821087433 599092391 /nfs/dbraw/zinc/09/23/91/599092391.db2.gz BFGVDSYNXMELSK-LBPRGKRZSA-N 1 0 387.438 2.861 20 0 GFADRO Cc1cccc([C@@H](C)[NH2+][C@@H]2CCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)c1C ZINC000737391324 599100614 /nfs/dbraw/zinc/10/06/14/599100614.db2.gz ZWJCZZYVYWZGHX-DNVCBOLYSA-N 1 0 376.464 2.940 20 0 GFADRO CC(C)[C@H]([NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1ccccc1Cl ZINC000735733275 599101469 /nfs/dbraw/zinc/10/14/69/599101469.db2.gz GXRKJBCRZOAOCM-WBMJQRKESA-N 1 0 386.891 2.745 20 0 GFADRO Cc1cccc([C@@H]2CCC[N@@H+]2CC(=O)NCc2cccc(-c3nn[nH]n3)c2)c1C ZINC000737390171 599136677 /nfs/dbraw/zinc/13/66/77/599136677.db2.gz QZCFKTZWSRFOFI-FQEVSTJZSA-N 1 0 390.491 2.937 20 0 GFADRO C[NH+](C)CC[C@@H](NC(=O)CSCc1ccc(-c2nn[nH]n2)cc1)C(C)(C)C ZINC000736758958 599164725 /nfs/dbraw/zinc/16/47/25/599164725.db2.gz LFZIXKFLTVDUBT-MRXNPFEDSA-N 1 0 390.557 2.583 20 0 GFADRO C[C@@H](C(=O)N(CC[NH+](C)C)Cc1cccc(-c2nn[nH]n2)c1)c1cccc(F)c1 ZINC000735510624 599188604 /nfs/dbraw/zinc/18/86/04/599188604.db2.gz CEBRGLQCLODTCZ-OAHLLOKOSA-N 1 0 396.470 2.700 20 0 GFADRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1sccc1-c1nn[nH]n1 ZINC000821596618 599215699 /nfs/dbraw/zinc/21/56/99/599215699.db2.gz PVIBVYXCPRKQNV-OAHLLOKOSA-N 1 0 382.493 2.522 20 0 GFADRO C[C@H]1CCN(C(=O)Nc2cccc(-c3nn[nH]n3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000820717962 599245387 /nfs/dbraw/zinc/24/53/87/599245387.db2.gz ZHTQEJSDZKSOFL-INIZCTEOSA-N 1 0 391.479 2.995 20 0 GFADRO COc1ccc(C[NH+](C)C)cc1NC(=O)N[C@@H](C)c1cccc(-c2nn[nH]n2)c1 ZINC000821794360 599253199 /nfs/dbraw/zinc/25/31/99/599253199.db2.gz FNXONESSFOOCEZ-ZDUSSCGKSA-N 1 0 395.467 2.820 20 0 GFADRO Cc1c(NC(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cccc1-c1nn[nH]n1 ZINC000822091897 607284855 /nfs/dbraw/zinc/28/48/55/607284855.db2.gz USUYNTRKFOLIIB-QGZVFWFLSA-N 1 0 391.479 2.961 20 0 GFADRO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000736008822 599267953 /nfs/dbraw/zinc/26/79/53/599267953.db2.gz BKMCKQHIIPMBLX-CQSZACIVSA-N 1 0 398.902 2.538 20 0 GFADRO O=C(NCC[NH+]1CCCCCC1)Nc1ccc(-c2nn[nH]n2)c(C(F)(F)F)c1 ZINC000823196302 599290283 /nfs/dbraw/zinc/29/02/83/599290283.db2.gz DIRYLGNSLIOANJ-UHFFFAOYSA-N 1 0 397.405 2.883 20 0 GFADRO CC(C)c1cnc(CN(C)[C@@H]2CC[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C2)o1 ZINC000735933682 599291837 /nfs/dbraw/zinc/29/18/37/599291837.db2.gz ZZXGKCOGAWBPSQ-QGZVFWFLSA-N 1 0 381.484 2.684 20 0 GFADRO CC1(C)CN(c2nc3c(cc2-c2nn[nH]n2)CCC3)CC[N@@H+]1Cc1ccccc1 ZINC000736213533 598245786 /nfs/dbraw/zinc/24/57/86/598245786.db2.gz JUHBCEUDZFTXOP-UHFFFAOYSA-N 1 0 389.507 2.851 20 0 GFADRO CCC[N@H+](CCOc1ccccc1-c1nn[nH]n1)[C@@H](C)C(=O)Nc1ccccc1 ZINC000736481707 598251268 /nfs/dbraw/zinc/25/12/68/598251268.db2.gz ZQQPCQXFYHGMOS-INIZCTEOSA-N 1 0 394.479 2.985 20 0 GFADRO Cc1ccccc1[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2cccc(-c3nn[nH]n3)c2)C1 ZINC000737420717 598254991 /nfs/dbraw/zinc/25/49/91/598254991.db2.gz GZSVZQVZQQEUSX-NVXWUHKLSA-N 1 0 376.464 2.992 20 0 GFADRO Cc1ccccc1[C@H]1CC[N@H+](CCC(=O)Nc2ccccc2-c2nn[nH]n2)C1 ZINC000737424869 598255024 /nfs/dbraw/zinc/25/50/24/598255024.db2.gz YFJTYBPAMMXTQK-INIZCTEOSA-N 1 0 376.464 2.993 20 0 GFADRO CCCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000736478676 598270218 /nfs/dbraw/zinc/27/02/18/598270218.db2.gz AHBCVOCSDCROSN-GOSISDBHSA-N 1 0 399.543 2.909 20 0 GFADRO FC(F)(F)Cn1ccnc1C[NH2+]CCSCc1ccccc1-c1nn[nH]n1 ZINC000737628028 598285270 /nfs/dbraw/zinc/28/52/70/598285270.db2.gz UGYTXOBXMDZUSA-UHFFFAOYSA-N 1 0 397.430 2.649 20 0 GFADRO CC[N@@H+]1CC[C@H](CNC(=O)c2ccccc2-c2ccccc2-c2nn[nH]n2)C1 ZINC000736565068 598288196 /nfs/dbraw/zinc/28/81/96/598288196.db2.gz HAQFMPLIFWWKLF-OAHLLOKOSA-N 1 0 376.464 2.605 20 0 GFADRO CC(C)(C)OCc1cccc(C[NH2+]Cc2cnc3c(-c4nn[nH]n4)cnn3c2)c1 ZINC000735639134 598299735 /nfs/dbraw/zinc/29/97/35/598299735.db2.gz BSTWGSBUQAINCS-UHFFFAOYSA-N 1 0 392.467 2.514 20 0 GFADRO CCC[N@@H+]1CC[C@@H](CNC(=S)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)C1 ZINC000736479845 598321845 /nfs/dbraw/zinc/32/18/45/598321845.db2.gz JPBFDAAHEIQZQE-NSHDSACASA-N 1 0 379.921 2.538 20 0 GFADRO CC(C)CN(C(=S)NCC(C)(C)C[NH+](C)C)c1ccc(-c2nn[nH]n2)cc1 ZINC000735827351 598416168 /nfs/dbraw/zinc/41/61/68/598416168.db2.gz LFLBHFDIBDUFMI-UHFFFAOYSA-N 1 0 389.573 2.791 20 0 GFADRO C[NH+](C)CCCOc1ccc(NC(=O)C=Cc2ccccc2-c2nn[nH]n2)cc1 ZINC000736767881 598424256 /nfs/dbraw/zinc/42/42/56/598424256.db2.gz SXDJCHQPGXMUHK-JYRVWZFOSA-N 1 0 392.463 2.849 20 0 GFADRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)CCc1ccc(-c2nn[nH]n2)cc1 ZINC000736555214 598454730 /nfs/dbraw/zinc/45/47/30/598454730.db2.gz JQHHXJSULZWVBH-UHFFFAOYSA-N 1 0 392.507 2.910 20 0 GFADRO Cc1oc(-n2cccc2)c(-c2nn[nH]n2)c1C(=O)NCC[NH+]1[C@H](C)CCC[C@H]1C ZINC000737548980 598466849 /nfs/dbraw/zinc/46/68/49/598466849.db2.gz SPLDEKGYKPOOLE-ZIAGYGMSSA-N 1 0 397.483 2.552 20 0 GFADRO Cc1cc(C)c(C[NH2+]C2CCN(c3ccc(-c4nn[nH]n4)cn3)CC2)cc1C ZINC000737245491 598468082 /nfs/dbraw/zinc/46/80/82/598468082.db2.gz DDOMVAGDRUEVHM-UHFFFAOYSA-N 1 0 377.496 2.946 20 0 GFADRO CC(C)(C)n1cc(-c2nn[nH]n2)cc1NC(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000735661682 598471132 /nfs/dbraw/zinc/47/11/32/598471132.db2.gz WVIGLSSNILGPCR-OAHLLOKOSA-N 1 0 386.504 2.515 20 0 GFADRO CCOc1ccc(-c2nn[nH]n2)cc1NC(=O)NCC[NH+]1[C@H](C)CCC[C@H]1C ZINC000736633641 598483872 /nfs/dbraw/zinc/48/38/72/598483872.db2.gz CYSONIIDPPISJY-ZIAGYGMSSA-N 1 0 387.488 2.650 20 0 GFADRO CC(C)C[C@H](C)CC(=O)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000735762245 598495876 /nfs/dbraw/zinc/49/58/76/598495876.db2.gz VMLMXZQKIAFTQT-KRWDZBQOSA-N 1 0 384.528 2.973 20 0 GFADRO O[C@@H](c1ccc(F)cc1)C1CC[NH+](CCOc2ccccc2-c2nn[nH]n2)CC1 ZINC000738389721 598507530 /nfs/dbraw/zinc/50/75/30/598507530.db2.gz ZIZCDNXLLJJNRP-FQEVSTJZSA-N 1 0 397.454 2.830 20 0 GFADRO c1nn2c(c1-c1nn[nH]n1)NC[C@H](C[NH2+]CC1(c3ccccc3)CCCCC1)C2 ZINC000738428993 598522307 /nfs/dbraw/zinc/52/23/07/598522307.db2.gz RAWKGFIRZBMZEX-INIZCTEOSA-N 1 0 392.511 2.597 20 0 GFADRO C[C@@H]([NH2+][C@H](C)c1ccc(-c2nn[nH]n2)cc1)C(=O)N(C)Cc1cccc(F)c1 ZINC000736132971 598596171 /nfs/dbraw/zinc/59/61/71/598596171.db2.gz QTRBVHPYLHQNDM-ZIAGYGMSSA-N 1 0 382.443 2.704 20 0 GFADRO Clc1cc(NCC[NH+]2CCN(c3ccccc3)CC2)ccc1-c1nn[nH]n1 ZINC000737562928 598639515 /nfs/dbraw/zinc/63/95/15/598639515.db2.gz ANCHYRNZGZDPQC-UHFFFAOYSA-N 1 0 383.887 2.754 20 0 GFADRO O=C(NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1cccc(-c2nn[nH]n2)c1 ZINC000738024869 598668364 /nfs/dbraw/zinc/66/83/64/598668364.db2.gz ZWINMIUNDPDUFO-IHWFROFDSA-N 1 0 388.475 2.792 20 0 GFADRO CC(C)[C@@H](C(=O)Nc1ccc(Oc2ccc(-c3nn[nH]n3)cc2)nc1)[NH+](C)C ZINC000735691340 598682851 /nfs/dbraw/zinc/68/28/51/598682851.db2.gz PBPRUNNGNJLJGS-KRWDZBQOSA-N 1 0 381.440 2.579 20 0 GFADRO O=C(Nc1ccc(-c2nn[nH]n2)cc1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000738150937 598698542 /nfs/dbraw/zinc/69/85/42/598698542.db2.gz DIPPWWKQIINPGX-MRXNPFEDSA-N 1 0 383.500 2.987 20 0 GFADRO CC[N@@H+]1CC[C@@H](CNC(=O)c2cccc(Oc3ccc(-c4nn[nH]n4)cc3)c2)C1 ZINC000736565544 598701782 /nfs/dbraw/zinc/70/17/82/598701782.db2.gz LKFADDYZPBBFOS-HNNXBMFYSA-N 1 0 392.463 2.731 20 0 GFADRO C[C@@H]([NH2+][C@H]1CCN(c2ccccc2Cl)C1=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000736135848 598712477 /nfs/dbraw/zinc/71/24/77/598712477.db2.gz YTRDGDMGTDZTKG-WBMJQRKESA-N 1 0 382.855 2.976 20 0 GFADRO C[N@@H+]1CCC[C@H]1[C@H]1CCCN1C(=S)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000736860189 598752223 /nfs/dbraw/zinc/75/22/23/598752223.db2.gz MFCJAOGMCGALCY-LSDHHAIUSA-N 1 0 391.932 2.776 20 0 GFADRO C[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)C[C@@H](O)c1ccc(Br)cc1 ZINC000736818109 598759248 /nfs/dbraw/zinc/75/92/48/598759248.db2.gz NMYFNROGZSOGPV-MRXNPFEDSA-N 1 0 388.269 2.795 20 0 GFADRO C[NH+]1CCC(N(C(=O)CCc2ccc(-c3nn[nH]n3)cc2)c2ccccc2)CC1 ZINC000736851418 598763507 /nfs/dbraw/zinc/76/35/07/598763507.db2.gz HKWOBAFHXAYMRR-UHFFFAOYSA-N 1 0 390.491 2.927 20 0 GFADRO CC(C)Oc1ccc(NC(=S)NCC(C)(C)C[NH+](C)C)cc1-c1nn[nH]n1 ZINC000820174638 607366810 /nfs/dbraw/zinc/36/68/10/607366810.db2.gz UVXRKLZJORGBCV-UHFFFAOYSA-N 1 0 391.545 2.528 20 0 GFADRO C[C@H]1CN(C(=O)c2ccccc2-c2ccccc2-c2nn[nH]n2)C[C@@H]1[NH+](C)C ZINC000736293329 599296154 /nfs/dbraw/zinc/29/61/54/599296154.db2.gz TVHDENVHJSTWAV-LIRRHRJNSA-N 1 0 376.464 2.556 20 0 GFADRO C[C@H]1CN(C(=O)c2cccc(Oc3ccc(-c4nn[nH]n4)cc3)c2)C[C@@H]1[NH+](C)C ZINC000736292626 599296369 /nfs/dbraw/zinc/29/63/69/599296369.db2.gz PORVZUSAUBUMFT-LIRRHRJNSA-N 1 0 392.463 2.681 20 0 GFADRO Cc1cc(C)cc([C@@H](O)C[N@@H+]2CCCN(c3ccccc3-c3nn[nH]n3)CC2)c1 ZINC000822196780 599303903 /nfs/dbraw/zinc/30/39/03/599303903.db2.gz WZGKUHKTMCSJQX-NRFANRHFSA-N 1 0 392.507 2.729 20 0 GFADRO CCOc1cccc(N2CC[NH+]([C@H](C)c3ccc(-c4nn[nH]n4)cc3)CC2)n1 ZINC000736654321 599320029 /nfs/dbraw/zinc/32/00/29/599320029.db2.gz KCGZQGXBMMZKND-OAHLLOKOSA-N 1 0 379.468 2.544 20 0 GFADRO C[C@H]([NH2+]C1CCN(C(=O)c2ccccc2)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000820414290 599361831 /nfs/dbraw/zinc/36/18/31/599361831.db2.gz XMWDAMIRDACERX-HNNXBMFYSA-N 1 0 376.464 2.822 20 0 GFADRO C[C@H](C(=O)Nc1cc(-c2nn[nH]n2)cn1C(C)(C)C)[N@H+](C)Cc1ccccc1 ZINC000735550206 599371614 /nfs/dbraw/zinc/37/16/14/599371614.db2.gz GCOSBRPUFPNZEX-CQSZACIVSA-N 1 0 381.484 2.882 20 0 GFADRO C[C@H]([NH2+]Cc1cccc(NC(=O)[C@H]2CCCO2)c1)c1ccc(-c2nn[nH]n2)cc1 ZINC000820431836 599371629 /nfs/dbraw/zinc/37/16/29/599371629.db2.gz IPGORFUXHSYTDZ-IFXJQAMLSA-N 1 0 392.463 2.835 20 0 GFADRO C[C@H]([NH2+]CCCCN1C(=O)c2ccccc2C1=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000820419436 599375792 /nfs/dbraw/zinc/37/57/92/599375792.db2.gz GUQINTQDELDPMS-AWEZNQCLSA-N 1 0 390.447 2.594 20 0 GFADRO CCO[C@@H]1C[C@@H]([NH2+][C@H](C)C(=O)Nc2ccccc2-c2nn[nH]n2)C12CCCC2 ZINC000821360830 599387490 /nfs/dbraw/zinc/38/74/90/599387490.db2.gz SPXFGFKPYQNYJB-KBRIMQKVSA-N 1 0 384.484 2.521 20 0 GFADRO COc1ccc(C[NH2+]C2CCN(Cc3ccccc3)CC2)cc1-c1nn[nH]n1 ZINC000821808333 599391180 /nfs/dbraw/zinc/39/11/80/599391180.db2.gz DRWJTVSHZBFJFH-UHFFFAOYSA-N 1 0 378.480 2.630 20 0 GFADRO C[C@@H]1C[NH+](C(C)(C)CNc2cc(-c3nn[nH]n3)c3ccccc3n2)C[C@@H](C)O1 ZINC000736292984 599401597 /nfs/dbraw/zinc/40/15/97/599401597.db2.gz SJKXAMJTUHIGKT-ZIAGYGMSSA-N 1 0 381.484 2.715 20 0 GFADRO CC[C@H]([NH2+]Cc1ccc(OC)c(-c2nn[nH]n2)c1)c1ccc2c(c1)OCCO2 ZINC000820925730 599411855 /nfs/dbraw/zinc/41/18/55/599411855.db2.gz KYYYCYCJODXXLE-INIZCTEOSA-N 1 0 381.436 2.887 20 0 GFADRO COC(=O)CC[C@@H]([NH2+]Cc1ccc(OC)c(-c2nn[nH]n2)c1)c1ccccc1 ZINC000821660433 599431061 /nfs/dbraw/zinc/43/10/61/599431061.db2.gz QRHDKMMBFJKLJF-QGZVFWFLSA-N 1 0 381.436 2.659 20 0 GFADRO COc1ccc(C[NH2+]C[C@H](O)c2ccc(C(C)(C)C)cc2)cc1-c1nn[nH]n1 ZINC000821810090 599442794 /nfs/dbraw/zinc/44/27/94/599442794.db2.gz WJLKAEMTHJSGLI-SFHVURJKSA-N 1 0 381.480 2.996 20 0 GFADRO COCCn1cc(C[NH2+]Cc2cccc(-c3ccc(-c4nn[nH]n4)s3)c2)cn1 ZINC000821695066 599444676 /nfs/dbraw/zinc/44/46/76/599444676.db2.gz HVFORPIIHMTJNP-UHFFFAOYSA-N 1 0 395.492 2.728 20 0 GFADRO C[C@H](C[NH2+]Cc1cnc2ccc(-c3nn[nH]n3)cn12)Oc1cccc(Cl)c1 ZINC000820275282 599453739 /nfs/dbraw/zinc/45/37/39/599453739.db2.gz ONASPLBHMGBSQP-GFCCVEGCSA-N 1 0 383.843 2.725 20 0 GFADRO C[C@@H](Cc1ccc(Cl)cc1)[N@H+](C)CC(=O)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000736057534 599474118 /nfs/dbraw/zinc/47/41/18/599474118.db2.gz WWASQKZOWPBNHI-AWEZNQCLSA-N 1 0 398.898 2.699 20 0 GFADRO Fc1cccc2c1SCC[C@H]2[NH2+]Cc1cnc2ccc(-c3nn[nH]n3)cn12 ZINC000737666410 599483038 /nfs/dbraw/zinc/48/30/38/599483038.db2.gz XLRWKBRGNHWJPA-OAHLLOKOSA-N 1 0 381.440 2.980 20 0 GFADRO c1csc(CC[NH+]2CCN(c3cc(-c4nn[nH]n4)nc4ccccc43)CC2)c1 ZINC000823815340 599494299 /nfs/dbraw/zinc/49/42/99/599494299.db2.gz CWJIAZXRTUEZDN-UHFFFAOYSA-N 1 0 391.504 2.841 20 0 GFADRO CCOCC[N@@H+]1CCN(c2ccc(-c3nn[nH]n3)cc2C(F)(F)F)C[C@H]1CC ZINC000736623411 599524142 /nfs/dbraw/zinc/52/41/42/599524142.db2.gz GUHNOZHVJAESDO-CQSZACIVSA-N 1 0 398.433 2.823 20 0 GFADRO C[C@@H]1C[C@H](N(C)C(=O)c2cccc(-c3nn[nH]n3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000736226590 599554360 /nfs/dbraw/zinc/55/43/60/599554360.db2.gz HUIIDPJVFUHNGJ-OXQOHEQNSA-N 1 0 390.491 2.992 20 0 GFADRO c1csc(C([NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)c2cccs2)c1 ZINC000738453955 599599544 /nfs/dbraw/zinc/59/95/44/599599544.db2.gz ZYEGFYZIZOZPPS-LLVKDONJSA-N 1 0 398.521 2.607 20 0 GFADRO O=C(c1ccccc1)N1CCC(C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000738277451 599600698 /nfs/dbraw/zinc/60/06/98/599600698.db2.gz DNNQDGBPYFOSDU-UHFFFAOYSA-N 1 0 376.464 2.509 20 0 GFADRO CC[C@H]1Oc2cc([C@@H](C)[NH2+]Cc3cccc(-c4nn[nH]n4)c3)ccc2NC1=O ZINC000821000389 599647240 /nfs/dbraw/zinc/64/72/40/599647240.db2.gz DMWCKSWREBNLAZ-SJKOYZFVSA-N 1 0 378.436 2.827 20 0 GFADRO C[C@@H]1CC[N@H+](CCOc2ccc(NC(=O)c3ccc(-c4nn[nH]n4)cc3)cc2)C1 ZINC000820723190 599655054 /nfs/dbraw/zinc/65/50/54/599655054.db2.gz WWJNKGXWZAJHAO-OAHLLOKOSA-N 1 0 392.463 2.840 20 0 GFADRO C[C@@H](NC(=O)N1CCC([NH+]2CCCCC2)CC1)c1cccc(-c2nn[nH]n2)c1 ZINC000820342058 599682140 /nfs/dbraw/zinc/68/21/40/599682140.db2.gz SRAZWKIWEIEGHV-OAHLLOKOSA-N 1 0 383.500 2.588 20 0 GFADRO CCC[NH+]1CCC(NC(=O)Nc2ccc(OC(C)C)c(-c3nn[nH]n3)c2)CC1 ZINC000821109465 607425008 /nfs/dbraw/zinc/42/50/08/607425008.db2.gz JOPPPOFNPBAZLG-UHFFFAOYSA-N 1 0 387.488 2.650 20 0 GFADRO O=C(NC1(c2cccc(-c3nn[nH]n3)c2)CC1)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000826427887 607426311 /nfs/dbraw/zinc/42/63/11/607426311.db2.gz GAPCORCUHOYHET-INIZCTEOSA-N 1 0 380.496 2.627 20 0 GFADRO CCCC[N@H+](C)CCNC(=O)Nc1ccc(OC(C)C)c(-c2nn[nH]n2)c1 ZINC000821061452 607431393 /nfs/dbraw/zinc/43/13/93/607431393.db2.gz ODGAOUTZEICBGI-UHFFFAOYSA-N 1 0 375.477 2.507 20 0 GFADRO S=C(Nc1ccccc1-c1nn[nH]n1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000823731728 607462796 /nfs/dbraw/zinc/46/27/96/607462796.db2.gz DVPJMWUKWXISHY-SUMWQHHRSA-N 1 0 383.525 2.512 20 0 GFADRO c1ccc2nc(N3CC[C@@H]4[C@H](CCC[N@H+]4C4CC4)C3)c(-c3nn[nH]n3)cc2c1 ZINC000823802598 607473128 /nfs/dbraw/zinc/47/31/28/607473128.db2.gz UIMMGWIUGPMBQZ-DNVCBOLYSA-N 1 0 375.480 2.868 20 0 GFADRO O[C@@H](C[C@@H]1CCC[N@@H+]1CCOc1cccc(-c2nn[nH]n2)c1)c1ccc(F)cc1 ZINC000826503281 607476156 /nfs/dbraw/zinc/47/61/56/607476156.db2.gz URGGLICUOKOUKZ-ICSRJNTNSA-N 1 0 397.454 2.973 20 0 GFADRO O[C@H](C[C@@H]1CCC[N@@H+]1CCOc1cccc(-c2nn[nH]n2)c1)c1ccc(F)cc1 ZINC000826503280 607476585 /nfs/dbraw/zinc/47/65/85/607476585.db2.gz URGGLICUOKOUKZ-AZUAARDMSA-N 1 0 397.454 2.973 20 0 GFADRO CC[N@H+](Cc1ccc(OC)c(OC)c1)Cc1ccc(OC)c(-c2nn[nH]n2)c1 ZINC000825435491 607479268 /nfs/dbraw/zinc/47/92/68/607479268.db2.gz ZXAKHFDAWTXOIF-UHFFFAOYSA-N 1 0 383.452 2.915 20 0 GFADRO CN(C)c1cc(C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)c2ccccc2n1 ZINC000821588090 607486403 /nfs/dbraw/zinc/48/64/03/607486403.db2.gz AKEOSYWVQLWSDK-UHFFFAOYSA-N 1 0 377.427 2.910 20 0 GFADRO Cc1oc(C(=O)[O-])cc1C[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000833024447 601156508 /nfs/dbraw/zinc/15/65/08/601156508.db2.gz BRENHSDUTHBAOV-UHFFFAOYSA-N 1 0 377.529 2.914 20 0 GFADRO COc1ccc(CN2CCC[C@@H](C[NH+]3CCCCCC3)C2)cc1-c1nn[nH]n1 ZINC000826194824 607495049 /nfs/dbraw/zinc/49/50/49/607495049.db2.gz XLZPEYXCGFELCI-SFHVURJKSA-N 1 0 384.528 2.963 20 0 GFADRO COc1ccc(CN2CC[N@H+](Cc3ccccc3)CC[C@H]2C)cc1-c1nn[nH]n1 ZINC000826195110 607511987 /nfs/dbraw/zinc/51/19/87/607511987.db2.gz ILIPUJTXROLVDN-QGZVFWFLSA-N 1 0 392.507 2.972 20 0 GFADRO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@H+](C)CCC2CC2)c1-c1nn[nH]n1 ZINC000826233627 607523944 /nfs/dbraw/zinc/52/39/44/607523944.db2.gz PHNJUJPMEUOBLG-UHFFFAOYSA-N 1 0 393.495 2.945 20 0 GFADRO COC(=O)[C@@H](C)[C@H]([NH2+]Cc1ccc(OC)c(-c2nn[nH]n2)c1)c1ccccc1 ZINC000826098538 607524108 /nfs/dbraw/zinc/52/41/08/607524108.db2.gz HVBHKKKCBKQHGN-UGSOOPFHSA-N 1 0 381.436 2.515 20 0 GFADRO CC(C)N(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000824292809 607560939 /nfs/dbraw/zinc/56/09/39/607560939.db2.gz ASOPWDKCOJVQEJ-UHFFFAOYSA-N 1 0 399.543 2.907 20 0 GFADRO COc1ccc(-c2nn[nH]n2)cc1C[N@H+](Cc1ccccc1)[C@@H](CO)C(C)C ZINC000826182271 607639027 /nfs/dbraw/zinc/63/90/27/607639027.db2.gz GAWSBFICHQHIEK-IBGZPJMESA-N 1 0 381.480 2.894 20 0 GFADRO C[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)C[C@@H](O)Cc1ccccc1C(F)(F)F ZINC000825976245 607687057 /nfs/dbraw/zinc/68/70/57/607687057.db2.gz HZEHEMHIQNGOAM-INIZCTEOSA-N 1 0 391.397 2.921 20 0 GFADRO Cc1cc(-c2nn[nH]n2)ccc1C(=O)Nc1cccc(OCCC[NH+](C)C)c1 ZINC000826250473 607688275 /nfs/dbraw/zinc/68/82/75/607688275.db2.gz CKJRNZVUMNRMQQ-UHFFFAOYSA-N 1 0 380.452 2.758 20 0 GFADRO O=C([O-])CCC[NH+]1CCC([NH2+]CCOc2ncc(Cl)cc2Cl)CC1 ZINC000833773416 605228001 /nfs/dbraw/zinc/22/80/01/605228001.db2.gz MOMZYHFDYCTLHO-UHFFFAOYSA-N 1 0 376.284 2.686 20 0 GFADRO CN(C(=O)Cc1ccc(-c2nn[nH]n2)cc1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000821570715 606034159 /nfs/dbraw/zinc/03/41/59/606034159.db2.gz HZUGJZPYAIITST-FQEVSTJZSA-N 1 0 390.491 2.532 20 0 GFADRO C[C@H](Oc1ccccc1-c1nn[nH]n1)C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000820542676 606124680 /nfs/dbraw/zinc/12/46/80/606124680.db2.gz QBNLAKDHQZPZNP-HNNXBMFYSA-N 1 0 398.511 2.547 20 0 GFADRO O[C@H](C[NH2+]Cc1cccc(OCc2ccccc2-c2nn[nH]n2)c1)c1ccco1 ZINC000823690718 606133793 /nfs/dbraw/zinc/13/37/93/606133793.db2.gz SEJZWYHTHQMENB-LJQANCHMSA-N 1 0 391.431 2.862 20 0 GFADRO C[C@@H](c1ccc([S@](C)=O)cc1)[N@H+](C)CCOc1ccc(-c2nn[nH]n2)cc1 ZINC000820563527 606159404 /nfs/dbraw/zinc/15/94/04/606159404.db2.gz RQXMWDDHJKURFH-PWFNWSNSSA-N 1 0 385.493 2.676 20 0 GFADRO Fc1cccc(F)c1CN1CCC[C@@H]([NH2+]Cc2cc(-c3nn[nH]n3)cs2)C1 ZINC000822791697 606219012 /nfs/dbraw/zinc/21/90/12/606219012.db2.gz LTBWGEAHKRIKIU-CYBMUJFWSA-N 1 0 390.463 2.961 20 0 GFADRO CCc1cc(N2CCC([NH2+][C@H](C)c3ccc(-c4nn[nH]n4)cc3)CC2)ncn1 ZINC000821469265 606239785 /nfs/dbraw/zinc/23/97/85/606239785.db2.gz AMDJZEVEBZUDQQ-CQSZACIVSA-N 1 0 378.484 2.539 20 0 GFADRO C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)c3cc(-c4nn[nH]n4)c[nH]3)cc2)C1 ZINC000820650887 606258221 /nfs/dbraw/zinc/25/82/21/606258221.db2.gz YBXICUWSRDHNTP-GJZGRUSLSA-N 1 0 393.495 2.603 20 0 GFADRO CCOc1cccc([C@@H](C)[NH2+][C@H]2CCN(c3sccc3-c3nn[nH]n3)C2=O)c1 ZINC000821427546 606302873 /nfs/dbraw/zinc/30/28/73/606302873.db2.gz UUKMOWXIRMVOGE-WBMJQRKESA-N 1 0 398.492 2.783 20 0 GFADRO Nc1ccc(F)c(NC(=O)CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C2CC2)c1 ZINC000822907359 606318428 /nfs/dbraw/zinc/31/84/28/606318428.db2.gz IWEVCSROEUVXAF-UHFFFAOYSA-N 1 0 395.442 2.581 20 0 GFADRO Cc1ccccc1[C@@H]1CC[N@@H+]([C@H]2CCN(c3sccc3-c3nn[nH]n3)C2=O)C1 ZINC000822350179 606319676 /nfs/dbraw/zinc/31/96/76/606319676.db2.gz BEOAQJGCUBTKDT-PBHICJAKSA-N 1 0 394.504 2.831 20 0 GFADRO CCS[C@H]1CCCC[N@@H+]([C@H]2CCN(c3sccc3-c3nn[nH]n3)C2=O)C1 ZINC000821454953 606322236 /nfs/dbraw/zinc/32/22/36/606322236.db2.gz HVKVJOCIWDVBKT-JSGCOSHPSA-N 1 0 392.554 2.641 20 0 GFADRO Cc1oc(NC(=O)C[N@H+]2CC[C@H](c3ccccc3)[C@H]2C)c(-c2nn[nH]n2)c1C ZINC000822548313 606336157 /nfs/dbraw/zinc/33/61/57/606336157.db2.gz HUZHIKRKFHQOOZ-CJNGLKHVSA-N 1 0 380.452 2.893 20 0 GFADRO CC(C)CC[NH+]1CCC(CNC(=O)Nc2ccc(F)cc2-c2nn[nH]n2)CC1 ZINC000820076145 606355251 /nfs/dbraw/zinc/35/52/51/606355251.db2.gz CQHKEWDWDLBQPM-UHFFFAOYSA-N 1 0 389.479 2.885 20 0 GFADRO CCCCO[C@@H]1C[C@H]([NH2+][C@@H]2CCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)C1(C)C ZINC000821072659 606371803 /nfs/dbraw/zinc/37/18/03/606371803.db2.gz VMVKXFCHFIFJBF-FGTMMUONSA-N 1 0 398.511 2.545 20 0 GFADRO CO[C@@]1(C)C[C@H]([N@H+](C)Cn2c(C)nnc2-c2cccc(-c3nn[nH]n3)c2)C1(C)C ZINC000821679129 606418147 /nfs/dbraw/zinc/41/81/47/606418147.db2.gz XMXTVNDKJAVZNI-JXFKEZNVSA-N 1 0 396.499 2.527 20 0 GFADRO O=C(NC[C@H]1CCCC[N@@H+]1Cc1ccccc1)c1cc(-c2nn[nH]n2)cs1 ZINC000823175898 606499854 /nfs/dbraw/zinc/49/98/54/606499854.db2.gz ODANQXIPQYBSOD-MRXNPFEDSA-N 1 0 382.493 2.713 20 0 GFADRO O=C(c1cc(-c2nn[nH]n2)cs1)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000823472177 606540816 /nfs/dbraw/zinc/54/08/16/606540816.db2.gz CHTZIGDGLYATDP-UHFFFAOYSA-N 1 0 396.520 2.709 20 0 GFADRO O=C(Cc1cccc(-c2nn[nH]n2)c1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000823087056 606551287 /nfs/dbraw/zinc/55/12/87/606551287.db2.gz DXMVJPJJWIWWNZ-GOSISDBHSA-N 1 0 382.512 2.524 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC000820705189 606561582 /nfs/dbraw/zinc/56/15/82/606561582.db2.gz RXNPGOFXSOSWHR-AEFFLSMTSA-N 1 0 382.512 2.522 20 0 GFADRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC000820705198 606561991 /nfs/dbraw/zinc/56/19/91/606561991.db2.gz RXNPGOFXSOSWHR-WMZOPIPTSA-N 1 0 382.512 2.522 20 0 GFADRO c1nc(-c2ccccn2)sc1C[NH2+]CCOc1ccc(-c2nn[nH]n2)cc1 ZINC000823767559 606611930 /nfs/dbraw/zinc/61/19/30/606611930.db2.gz UEQBPQBWGLGYED-UHFFFAOYSA-N 1 0 379.449 2.554 20 0 GFADRO Cc1ccc(C[NH2+][C@@H](C)c2ccc(-c3nn[nH]n3)cc2)c(N2CCOCC2)c1 ZINC000822238346 606633186 /nfs/dbraw/zinc/63/31/86/606633186.db2.gz DCMDNASGQQZKPE-INIZCTEOSA-N 1 0 378.480 2.863 20 0 GFADRO OCC[N@H+](Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1)Cc1cccnc1 ZINC000823722999 606656050 /nfs/dbraw/zinc/65/60/50/606656050.db2.gz YMLHCTPKSWJDFY-UHFFFAOYSA-N 1 0 386.459 2.923 20 0 GFADRO C[C@H]1CCC[C@H](C)C1NC(=O)N(CC[NH+](C)C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000820690507 606658869 /nfs/dbraw/zinc/65/88/69/606658869.db2.gz NBYXMJIZURBAOR-HOTGVXAUSA-N 1 0 399.543 2.765 20 0 GFADRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)C1 ZINC000820684035 606675647 /nfs/dbraw/zinc/67/56/47/606675647.db2.gz LFZPBXNYTRLGMD-SCRDCRAPSA-N 1 0 390.438 2.622 20 0 GFADRO CC[N@@H+]1C[C@H](C)[C@H](NC(=O)c2cccc(Oc3ccc(-c4nn[nH]n4)cc3)c2)C1 ZINC000821242848 606691944 /nfs/dbraw/zinc/69/19/44/606691944.db2.gz XASRVIVBWNWQEF-IFXJQAMLSA-N 1 0 392.463 2.729 20 0 GFADRO CC[N@@H+]1C[C@H](C)[C@H](NC(=O)c2cccc(Nc3ccc(-c4nn[nH]n4)cc3)c2)C1 ZINC000821242236 606694758 /nfs/dbraw/zinc/69/47/58/606694758.db2.gz QYRVKKYYZUJEJQ-IFXJQAMLSA-N 1 0 391.479 2.680 20 0 GFADRO COc1cc(C[N@@H+]2CC[C@@H](Nc3ccc(-c4nn[nH]n4)cc3)C2)cc(OC)c1 ZINC000821716601 606728297 /nfs/dbraw/zinc/72/82/97/606728297.db2.gz BHRCXXTXJDTFSH-QGZVFWFLSA-N 1 0 380.452 2.570 20 0 GFADRO CN(C(=O)C=Cc1ccccc1-c1nn[nH]n1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000821569376 606812822 /nfs/dbraw/zinc/81/28/22/606812822.db2.gz IFWDIPYBAVZECC-TZZQJPOUSA-N 1 0 388.475 2.613 20 0 GFADRO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)Nc2ccc(-c3nn[nH]n3)c(C(F)(F)F)c2)C1 ZINC000820752577 606835897 /nfs/dbraw/zinc/83/58/97/606835897.db2.gz OOQPBXQPEWYEFG-QMTHXVAHSA-N 1 0 397.405 2.736 20 0 GFADRO C[N@@H+](Cc1ccccc1OC(F)(F)F)C[C@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821615562 606850716 /nfs/dbraw/zinc/85/07/16/606850716.db2.gz CFSIURKXXLOOTF-HNNXBMFYSA-N 1 0 393.369 2.931 20 0 GFADRO O[C@@H](C[NH2+]Cc1cc(Br)cs1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823682210 606854731 /nfs/dbraw/zinc/85/47/31/606854731.db2.gz OJYZQGKCTLYKBY-ZDUSSCGKSA-N 1 0 380.271 2.514 20 0 GFADRO O[C@@H](COc1ccc(-c2nn[nH]n2)cc1)C[N@H+]1CC=C(c2ccc(F)cc2)CC1 ZINC000823690047 606867434 /nfs/dbraw/zinc/86/74/34/606867434.db2.gz KTSOADHJTGJYMB-LJQANCHMSA-N 1 0 395.438 2.535 20 0 GFADRO CCc1nnc(NCc2ccccc2C[NH+]2CCCC2)c(-c2nn[nH]n2)c1CC ZINC000821542506 606917826 /nfs/dbraw/zinc/91/78/26/606917826.db2.gz UFZVFTCDHRKOSR-UHFFFAOYSA-N 1 0 392.511 2.989 20 0 GFADRO O=C(CC[N@@H+]1CCOC2(C1)CCCCCC2)Nc1cccc(-c2nn[nH]n2)c1 ZINC000822968976 606934114 /nfs/dbraw/zinc/93/41/14/606934114.db2.gz FYCQUJLWKBDGBS-UHFFFAOYSA-N 1 0 384.484 2.621 20 0 GFADRO COC(=O)[C@H](C)C[N@H+](Cc1ccccc1)Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC000821639301 606968281 /nfs/dbraw/zinc/96/82/81/606968281.db2.gz USAFHJVRVOWFLN-CQSZACIVSA-N 1 0 383.427 2.817 20 0 GFADRO C[NH+](C)Cc1ccc(NC(=O)C(C)(C)Oc2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000821588244 606990639 /nfs/dbraw/zinc/99/06/39/606990639.db2.gz IOTUKCVZYCBOOZ-UHFFFAOYSA-N 1 0 380.452 2.724 20 0 GFADRO C[N@@H+]1CCC[C@@H]2CN(c3c(-c4nn[nH]n4)cnc4c(F)ccc(F)c43)CC[C@@H]21 ZINC000821625755 607031288 /nfs/dbraw/zinc/03/12/88/607031288.db2.gz VHYYTYGLMCVVKR-ABAIWWIYSA-N 1 0 385.422 2.614 20 0 GFADRO C[C@@H](CSC(C)(C)C)[NH2+]C1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1 ZINC000820295125 607045725 /nfs/dbraw/zinc/04/57/25/607045725.db2.gz YSFZZOZQGPDCCT-ZDUSSCGKSA-N 1 0 375.546 2.740 20 0 GFADRO Cc1ccc2c(c1)[C@@H]([NH2+]C1CCN(c3ccc(-c4nn[nH]n4)cn3)CC1)CC2 ZINC000822274871 607048470 /nfs/dbraw/zinc/04/84/70/607048470.db2.gz KYIGRLZBLIQNEL-IBGZPJMESA-N 1 0 375.480 2.816 20 0 GFADRO COc1cccc([C@H](C)[NH+]2CCN(Cc3cc(F)ccc3-c3nn[nH]n3)CC2)c1 ZINC000821860121 607064261 /nfs/dbraw/zinc/06/42/61/607064261.db2.gz XIYFKIDCRRQQRV-HNNXBMFYSA-N 1 0 396.470 2.893 20 0 GFADRO c1ccc(N2CCC[N@@H+](Cc3cccc4nsnc43)CC2)c(-c2nn[nH]n2)c1 ZINC000823787994 607069498 /nfs/dbraw/zinc/06/94/98/607069498.db2.gz SIFBCWRBBIJSJQ-UHFFFAOYSA-N 1 0 392.492 2.584 20 0 GFADRO COc1cc(-c2nn[nH]n2)ccc1OCC[N@H+](C)[C@H](C)Cc1ccc(O)cc1 ZINC000821701080 607078920 /nfs/dbraw/zinc/07/89/20/607078920.db2.gz APGNHFABTVHIFO-CQSZACIVSA-N 1 0 383.452 2.523 20 0 GFADRO CC[NH+](CC)CCN(Cc1cccs1)C(=O)c1ccc(-c2nn[nH]n2)s1 ZINC000821188930 607131870 /nfs/dbraw/zinc/13/18/70/607131870.db2.gz GRAVWDNLAXQAPU-UHFFFAOYSA-N 1 0 390.538 2.974 20 0 GFADRO CC(C)(C)[N@@H+]1CCCN(C(=O)Nc2ccc(-c3nn[nH]n3)cc2Cl)CC1 ZINC000819913736 607198835 /nfs/dbraw/zinc/19/88/35/607198835.db2.gz DKHQBBLUXRADTC-UHFFFAOYSA-N 1 0 377.880 2.858 20 0 GFADRO O=C(Nc1ccc(-c2nn[nH]n2)cc1Cl)N1CC[NH+](C2CCCC2)CC1 ZINC000823315498 607203955 /nfs/dbraw/zinc/20/39/55/607203955.db2.gz YPLWDGOSVQKNMZ-UHFFFAOYSA-N 1 0 375.864 2.612 20 0 GFADRO CCCCC1CCC([NH2+]CCS(=O)(=O)c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000825268607 607815472 /nfs/dbraw/zinc/81/54/72/607815472.db2.gz WBWBYBZUYDPAFA-UHFFFAOYSA-N 1 0 391.541 2.979 20 0 GFADRO CC[C@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1c1cccc(-c2nn[nH]n2)n1 ZINC000825058836 607903016 /nfs/dbraw/zinc/90/30/16/607903016.db2.gz AOGCMQZYWDBFRW-KXBFYZLASA-N 1 0 392.511 2.702 20 0 GFADRO CC[C@H]([NH2+]Cc1cc(-c2nn[nH]n2)cs1)[C@H](c1ccc(C)cc1)n1cncn1 ZINC000825141049 607911356 /nfs/dbraw/zinc/91/13/56/607911356.db2.gz MXTQCOZKJJBUGR-ROUUACIJSA-N 1 0 394.508 2.986 20 0 GFADRO CC[C@H]([NH2+]Cc1cccc(-c2nn[nH]n2)c1)[C@@H](c1ccc(C)cc1)n1cncn1 ZINC000825147271 607911458 /nfs/dbraw/zinc/91/14/58/607911458.db2.gz HFSUWKNFMPQYOO-VQTJNVASSA-N 1 0 388.479 2.924 20 0 GFADRO CCS[C@H]1CC[C@@H]([N@H+](C)Cc2cccc(C(=O)OC)c2-c2nn[nH]n2)C1 ZINC000825669460 607923675 /nfs/dbraw/zinc/92/36/75/607923675.db2.gz YGKGRAYURPJANN-KGLIPLIRSA-N 1 0 375.498 2.759 20 0 GFADRO COCC[C@H](c1ccccc1)[NH+]1CCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000826155480 607958534 /nfs/dbraw/zinc/95/85/34/607958534.db2.gz RJXFZAOHOJEKQU-LJQANCHMSA-N 1 0 378.480 2.767 20 0 GFADRO C[C@@H](NC(=O)c1c(Cl)cc(-c2nn[nH]n2)cc1Cl)C(C)(C)C[NH+](C)C ZINC000824505663 608015525 /nfs/dbraw/zinc/01/55/25/608015525.db2.gz GNUCXJMQQVYNIC-SECBINFHSA-N 1 0 385.299 2.880 20 0 GFADRO CC[C@H](C)c1ccc(C(=O)Nc2n[nH]c(CCC[NH2+]C)c2-c2nn[nH]n2)cc1 ZINC000825073663 608021832 /nfs/dbraw/zinc/02/18/32/608021832.db2.gz AFQJXGKQYMDESD-LBPRGKRZSA-N 1 0 382.472 2.508 20 0 GFADRO C[C@@H]([NH2+][C@@H]1CCCN(c2ccccc2F)C1=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000824545478 608047256 /nfs/dbraw/zinc/04/72/56/608047256.db2.gz CRJMKDHHIHZTMX-CXAGYDPISA-N 1 0 380.427 2.852 20 0 GFADRO C[N@@H+]1CCC[C@H]1[C@H]1CCCN1c1ccc(-c2nn[nH]n2)cc1Br ZINC000826033924 608049266 /nfs/dbraw/zinc/04/92/66/608049266.db2.gz KVPGFKRMRLYCOI-LSDHHAIUSA-N 1 0 377.290 2.692 20 0 GFADRO COc1cccc(CCC[N@@H+]2CCO[C@H](c3cccc(-c4nn[nH]n4)c3)C2)c1 ZINC000826215944 608068234 /nfs/dbraw/zinc/06/82/34/608068234.db2.gz DBCYRDZXIXBCGF-FQEVSTJZSA-N 1 0 379.464 2.881 20 0 GFADRO CN1CC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)[C@@H]1c1ccc(F)c(F)c1 ZINC000826029983 608113845 /nfs/dbraw/zinc/11/38/45/608113845.db2.gz ZBLGKLIDOQHAPI-ROUUACIJSA-N 1 0 388.397 2.819 20 0 GFADRO CCC[C@H](C(=O)Nc1ccc(Oc2cccc(-c3nn[nH]n3)c2)nc1)[NH+](C)C ZINC000825225271 608122066 /nfs/dbraw/zinc/12/20/66/608122066.db2.gz QSODCKYIQNTPDL-MRXNPFEDSA-N 1 0 381.440 2.723 20 0 GFADRO O=C(N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)c1cccc(-c2nn[nH]n2)c1 ZINC000826430074 608134766 /nfs/dbraw/zinc/13/47/66/608134766.db2.gz SREAMRWRYSEBKR-XUVXKRRUSA-N 1 0 388.475 2.507 20 0 GFADRO O=C(N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)c1sccc1-c1nn[nH]n1 ZINC000826429899 608134802 /nfs/dbraw/zinc/13/48/02/608134802.db2.gz PJPSZUDGEKWWFR-BHYGNILZSA-N 1 0 394.504 2.569 20 0 GFADRO O=C(CC[N@@H+]1CC[C@H](C2CC2)C1)Nc1sc2c(c1-c1nn[nH]n1)CCCC2 ZINC000826406888 608171442 /nfs/dbraw/zinc/17/14/42/608171442.db2.gz RJVKNHSFGCYEDU-ZDUSSCGKSA-N 1 0 386.525 2.868 20 0 GFADRO CC1CC[NH+](C[C@H]2CCCN(c3snc(Cl)c3-c3nn[nH]n3)C2)CC1 ZINC000824957285 608180032 /nfs/dbraw/zinc/18/00/32/608180032.db2.gz WZMTUMKVVBYTCE-GFCCVEGCSA-N 1 0 381.937 2.925 20 0 GFADRO C[NH+](C)CCN(Cc1cccc(F)c1)c1snc(Cl)c1-c1nn[nH]n1 ZINC000825865969 608190464 /nfs/dbraw/zinc/19/04/64/608190464.db2.gz NUOURZHYGJMFMW-UHFFFAOYSA-N 1 0 381.868 2.684 20 0 GFADRO CC[N@@H+]1C[C@@H](C)N(C(=O)Nc2cc(-c3nn[nH]n3)ccc2OC(C)C)C[C@H]1C ZINC000825443269 608268920 /nfs/dbraw/zinc/26/89/20/608268920.db2.gz BAVTWDCVKTWPOG-ZIAGYGMSSA-N 1 0 387.488 2.600 20 0 GFADRO O=C(CCc1ccc(-c2nn[nH]n2)cc1)OCC1CC[NH+](Cc2ccco2)CC1 ZINC000826408325 608276255 /nfs/dbraw/zinc/27/62/55/608276255.db2.gz AXHQLUDZKZNNDZ-UHFFFAOYSA-N 1 0 395.463 2.848 20 0 GFADRO CC[N@@H+]1C[C@@H](C)N(C(=O)Nc2ccc(-c3nn[nH]n3)c(C(F)(F)F)c2)C[C@@H]1C ZINC000825443775 608303900 /nfs/dbraw/zinc/30/39/00/608303900.db2.gz FXRDRFHHFORCRH-WDEREUQCSA-N 1 0 397.405 2.832 20 0 GFADRO COC1CCC([N@H+](C)Cc2c(-c3nn[nH]n3)c(C)nn2-c2ccccc2)CC1 ZINC000826146210 608311542 /nfs/dbraw/zinc/31/15/42/608311542.db2.gz RQQOKRDNQZTOMN-UHFFFAOYSA-N 1 0 381.484 2.750 20 0 GFADRO CCC[NH+]1CCC(N(C)Cc2c(-c3nn[nH]n3)c(C)nn2-c2ccccc2)CC1 ZINC000825328018 608314229 /nfs/dbraw/zinc/31/42/29/608314229.db2.gz NWFVNMAEWFKEJV-UHFFFAOYSA-N 1 0 394.527 2.667 20 0 GFADRO Cc1nn(-c2ccccc2)c(C[NH+]2CCC(OCC3CC3)CC2)c1-c1nn[nH]n1 ZINC000826332008 608314764 /nfs/dbraw/zinc/31/47/64/608314764.db2.gz GXGCTQDUCVWSOX-UHFFFAOYSA-N 1 0 393.495 2.752 20 0 GFADRO c1cc(-c2nnc(C[N@H+]3CCC[C@@H](C[C@H]4CCOC4)C3)o2)ccc1-c1nn[nH]n1 ZINC000826512814 608327010 /nfs/dbraw/zinc/32/70/10/608327010.db2.gz OPIBVOYRTVATAL-LSDHHAIUSA-N 1 0 395.467 2.555 20 0 GFADRO COc1cc(-c2nn[nH]n2)ccc1C[NH+]1CCC(C(=O)Nc2ccccc2)CC1 ZINC000826168768 608353192 /nfs/dbraw/zinc/35/31/92/608353192.db2.gz XZXINWTVELXNFX-UHFFFAOYSA-N 1 0 392.463 2.726 20 0 GFADRO COc1cc(-c2nn[nH]n2)ccc1C[NH2+]C1(c2ccc(F)cc2)CCOCC1 ZINC000826169945 608371045 /nfs/dbraw/zinc/37/10/45/608371045.db2.gz KEORFKTZQCJTFP-UHFFFAOYSA-N 1 0 383.427 2.810 20 0 GFADRO COc1cc(-c2nn[nH]n2)ccc1CN(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000826167404 608373582 /nfs/dbraw/zinc/37/35/82/608373582.db2.gz CBHOTGDJCZIDCE-LJQANCHMSA-N 1 0 378.480 2.582 20 0 GFADRO O[C@]1(Cc2cccc(Cl)c2)CC[N@H+](Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC000826506270 608380154 /nfs/dbraw/zinc/38/01/54/608380154.db2.gz QIVQRNLTVFDFHT-IBGZPJMESA-N 1 0 387.846 2.839 20 0 GFADRO CC(C)c1cnc(CN(C)[C@@H]2CC[N@H+](Cc3cccc(-c4nn[nH]n4)c3F)C2)o1 ZINC000824352614 608396601 /nfs/dbraw/zinc/39/66/01/608396601.db2.gz KLABFZBNPHAGMI-OAHLLOKOSA-N 1 0 399.474 2.824 20 0 GFADRO C[C@@H]([NH2+]CCCOc1cccc(-c2nn[nH]n2)c1)c1ccc(-n2cncn2)cc1 ZINC000824592318 608427471 /nfs/dbraw/zinc/42/74/71/608427471.db2.gz LSNUASYPOMVANA-OAHLLOKOSA-N 1 0 390.451 2.567 20 0 GFADRO COc1cccc([C@H](C)[NH2+]CC(=O)Nc2cc(Cl)ccc2-c2nn[nH]n2)c1 ZINC000826214349 608432165 /nfs/dbraw/zinc/43/21/65/608432165.db2.gz IYLFPGHGXVTYRP-NSHDSACASA-N 1 0 386.843 2.818 20 0 GFADRO CC(=O)Nc1cccc([C@H](C)[NH2+]CCCOc2cccc(-c3nn[nH]n3)c2)c1 ZINC000824004960 608432951 /nfs/dbraw/zinc/43/29/51/608432951.db2.gz HPWLHMBJFYNRNZ-AWEZNQCLSA-N 1 0 380.452 2.945 20 0 GFADRO Cc1nnc(Nc2cccc(N3CC[NH+](C(C)C)CC3)c2)c(-c2nn[nH]n2)c1C ZINC000826336722 608441517 /nfs/dbraw/zinc/44/15/17/608441517.db2.gz KSPZDGPYMGKRNU-UHFFFAOYSA-N 1 0 393.499 2.548 20 0 GFADRO COc1cc(C)c([C@H](C)[NH2+]C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)cc1OC ZINC000826177916 608447427 /nfs/dbraw/zinc/44/74/27/608447427.db2.gz ARQNHGZKPVWSFW-SUMWQHHRSA-N 1 0 383.452 2.577 20 0 GFADRO CC[C@@H]([NH2+]Cc1ccc(-c2nn[nH]n2)cc1OC)c1ccc2c(c1)OCCO2 ZINC000825139752 608469965 /nfs/dbraw/zinc/46/99/65/608469965.db2.gz HRHUFCIXBUZEPI-MRXNPFEDSA-N 1 0 381.436 2.887 20 0 GFADRO COc1ccc(-c2nn[nH]n2)cc1C[NH2+][C@H](C)c1cccc(N2CCOC2=O)c1 ZINC000826183928 608475454 /nfs/dbraw/zinc/47/54/54/608475454.db2.gz FQDJHTYPYULAPP-CYBMUJFWSA-N 1 0 394.435 2.683 20 0 GFADRO Cc1cc2ncn(C[C@@H](O)C[NH2+][C@H](C)c3cccc(-c4nn[nH]n4)c3)c2cc1C ZINC000826272872 608485390 /nfs/dbraw/zinc/48/53/90/608485390.db2.gz FKQYJWOXVNFBDQ-QAPCUYQASA-N 1 0 391.479 2.545 20 0 GFADRO C[C@H]([NH2+]Cc1ccc(C(=O)N2CCCC2)cc1)c1cccc(-c2nn[nH]n2)c1 ZINC000824613606 608489704 /nfs/dbraw/zinc/48/97/04/608489704.db2.gz VPUSHXVWEPKYFF-HNNXBMFYSA-N 1 0 376.464 2.954 20 0 GFADRO C[C@H]([NH2+]CC(=O)N[C@@H]1CCCc2ccccc21)c1cccc(-c2nn[nH]n2)c1 ZINC000824556025 608491996 /nfs/dbraw/zinc/49/19/96/608491996.db2.gz ZHBVPQWLPRUFHG-IFXJQAMLSA-N 1 0 376.464 2.711 20 0 GFADRO CCSc1ccc([C@@H](C)[NH2+]CC(=O)NCc2cccc(-c3nn[nH]n3)c2)cc1 ZINC000825674684 608495191 /nfs/dbraw/zinc/49/51/91/608495191.db2.gz QDELZNXVTUWAPD-CQSZACIVSA-N 1 0 396.520 2.946 20 0 GFADRO CCOC(=O)N[C@H](C[NH2+][C@H]1CCCc2cc(-c3nn[nH]n3)ccc21)CC(C)C ZINC000825523462 608498371 /nfs/dbraw/zinc/49/83/71/608498371.db2.gz QHUHYVVQSQMBTF-WMZOPIPTSA-N 1 0 386.500 2.995 20 0 GFADRO FC(F)(F)CN1CC[C@@H](C[NH2+][C@@H]2CCCc3cc(-c4nn[nH]n4)ccc32)C1 ZINC000826367780 608502759 /nfs/dbraw/zinc/50/27/59/608502759.db2.gz NVEIFSBWUPMMAN-BLLLJJGKSA-N 1 0 380.418 2.718 20 0 GFADRO Cc1cccc(OC[C@H](O)C[NH2+][C@@H]2CCCc3cc(-c4nn[nH]n4)ccc32)c1 ZINC000826300157 608504253 /nfs/dbraw/zinc/50/42/53/608504253.db2.gz KTKZYOUHWPNJSF-YLJYHZDGSA-N 1 0 379.464 2.582 20 0 GFADRO CC(C)(C)n1cc(CN2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)cn1 ZINC000824148567 608508646 /nfs/dbraw/zinc/50/86/46/608508646.db2.gz ZYVXAMXZWGYVJD-UHFFFAOYSA-N 1 0 394.527 2.526 20 0 GFADRO COc1cc(OC)cc([C@H](O)C[NH2+][C@H]2CCCc3cc(-c4nn[nH]n4)ccc32)c1 ZINC000826181018 608512581 /nfs/dbraw/zinc/51/25/81/608512581.db2.gz IEHIICLIAYXFPI-VQTJNVASSA-N 1 0 395.463 2.585 20 0 GFADRO OC[C@@H](Cc1c[nH]c2ccccc12)[NH2+][C@H]1CCCc2cc(-c3nn[nH]n3)ccc21 ZINC000826507761 608512867 /nfs/dbraw/zinc/51/28/67/608512867.db2.gz WACPMHQOOUGPAZ-UTKZUKDTSA-N 1 0 388.475 2.919 20 0 GFADRO Cc1ccc(N2CCC[C@H]([NH2+][C@@H]3CCCc4cc(-c5nn[nH]n5)ccc43)C2)nn1 ZINC000826290527 608520124 /nfs/dbraw/zinc/52/01/24/608520124.db2.gz PENCNYWYKAFBMO-PKOBYXMFSA-N 1 0 390.495 2.601 20 0 GFADRO COc1cc(C[N@H+](C)Cc2cccc(-c3nn[nH]n3)c2)ccc1OC(=O)C1CC1 ZINC000826179180 608522407 /nfs/dbraw/zinc/52/24/07/608522407.db2.gz CNCJEZVXXHZVGR-UHFFFAOYSA-N 1 0 393.447 2.823 20 0 GFADRO COc1cc(OC)cc(OCC[NH2+][C@H]2CCCc3cc(-c4nn[nH]n4)ccc32)c1 ZINC000826180883 608523037 /nfs/dbraw/zinc/52/30/37/608523037.db2.gz BGDNNXJRWVKSBS-FQEVSTJZSA-N 1 0 395.463 2.930 20 0 GFADRO COc1ccc(-c2nn[nH]n2)cc1C[NH2+][C@H](C)c1cccc(-n2cccn2)c1 ZINC000826184002 608527722 /nfs/dbraw/zinc/52/77/22/608527722.db2.gz HUUMJHPMNBSJOD-CQSZACIVSA-N 1 0 375.436 2.912 20 0 GFADRO CC[C@H]([NH2+]C[C@H](O)COc1ccc(-c2nn[nH]n2)cc1)c1cc(F)ccc1F ZINC000825139035 608536490 /nfs/dbraw/zinc/53/64/90/608536490.db2.gz AGYGQOLMVNUXKP-KSSFIOAISA-N 1 0 389.406 2.626 20 0 GFADRO CC[C@@H]1Oc2cc([C@@H](C)[NH2+]Cc3ccc(F)cc3-c3nn[nH]n3)ccc2NC1=O ZINC000825219285 608538324 /nfs/dbraw/zinc/53/83/24/608538324.db2.gz IXGYXNWXIYPGLC-DIFFPNOSSA-N 1 0 396.426 2.966 20 0 GFADRO COC(=O)C(C)(C)[C@@H]([NH2+]Cc1ccc(-c2nn[nH]n2)cc1OC)c1ccccc1 ZINC000826098516 608555253 /nfs/dbraw/zinc/55/52/53/608555253.db2.gz HEDDDISKWAHHCU-SFHVURJKSA-N 1 0 395.463 2.905 20 0 GFADRO CN1C(=O)C[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)[C@@H]1c1ccc(Cl)cc1 ZINC000826010955 608568744 /nfs/dbraw/zinc/56/87/44/608568744.db2.gz RJGMYKKKFGPDTP-WMZOPIPTSA-N 1 0 382.855 2.582 20 0 GFADRO CCC[C@H](C[NH+]1CCN(c2ncccc2-c2nn[nH]n2)CC1)c1ccccc1 ZINC000825242700 608580589 /nfs/dbraw/zinc/58/05/89/608580589.db2.gz YXLXONNLDOOZMQ-GOSISDBHSA-N 1 0 377.496 2.968 20 0 GFADRO COc1ccc([C@H](C)C[NH+]2CCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)cc1 ZINC000826187659 608581732 /nfs/dbraw/zinc/58/17/32/608581732.db2.gz ATSPQKAIXYKAAP-QGZVFWFLSA-N 1 0 392.507 2.797 20 0 GFADRO Cn1cc(C[NH+]2CCC(Oc3ccc(-c4nn[nH]n4)cc3)CC2)c(C(C)(C)C)n1 ZINC000826360701 608583020 /nfs/dbraw/zinc/58/30/20/608583020.db2.gz UURIVWIXUNHNJT-UHFFFAOYSA-N 1 0 395.511 2.941 20 0 GFADRO Cc1cc(C[N@@H+]2CCCN(c3ccccc3-c3nn[nH]n3)CC2)cnc1Cl ZINC000826266657 608584765 /nfs/dbraw/zinc/58/47/65/608584765.db2.gz WZDJYBSDMAGXBV-UHFFFAOYSA-N 1 0 383.887 2.936 20 0 GFADRO COC(=O)[C@@H](C)C[N@H+](C)Cc1cccc(OCc2cccc(-c3nn[nH]n3)c2)c1 ZINC000826099142 608600212 /nfs/dbraw/zinc/60/02/12/608600212.db2.gz ZJGDMGYDYPMPET-HNNXBMFYSA-N 1 0 395.463 2.687 20 0 GFADRO CN(C(=O)OC(C)(C)C)[C@@H]1CCC[N@H+](Cc2cc(-c3nn[nH]n3)cs2)C1 ZINC000825825950 608659745 /nfs/dbraw/zinc/65/97/45/608659745.db2.gz PESNQQABOZBLDF-CYBMUJFWSA-N 1 0 378.502 2.760 20 0 GFADRO COc1ccc([C@H]2CC[N@H+](Cc3cnc4ccc(-c5nn[nH]n5)cn34)C2)cc1 ZINC000826190515 608660019 /nfs/dbraw/zinc/66/00/19/608660019.db2.gz DONIUQHPEAVLQY-HNNXBMFYSA-N 1 0 375.436 2.513 20 0 GFADRO CC(C)(C)c1n[nH]cc1C[NH+]1CCC(Oc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000824136401 608679816 /nfs/dbraw/zinc/67/98/16/608679816.db2.gz PNNCZIXZVQPQOI-UHFFFAOYSA-N 1 0 381.484 2.931 20 0 GFADRO C[N@H+](CCOc1cccc(-c2nn[nH]n2)c1)Cc1cc(-c2ccccc2)n[nH]1 ZINC000825945938 608680865 /nfs/dbraw/zinc/68/08/65/608680865.db2.gz BLSPTMNXUBXPMQ-UHFFFAOYSA-N 1 0 375.436 2.768 20 0 GFADRO OCC[C@@H]1CC[N@H+](Cc2cccc(OCc3ccccc3-c3nn[nH]n3)c2)C1 ZINC000826509560 608705938 /nfs/dbraw/zinc/70/59/38/608705938.db2.gz YVCHQPGFELLRDA-INIZCTEOSA-N 1 0 379.464 2.650 20 0 GFADRO CC(C)(C)OC(=O)N1CC[C@@H]([N@H+](Cc2cc(-c3nn[nH]n3)cs2)C2CC2)C1 ZINC000824104350 608739340 /nfs/dbraw/zinc/73/93/40/608739340.db2.gz PZDJCWMANRRAKM-CQSZACIVSA-N 1 0 390.513 2.902 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@@H+]1Cc1cc(-c2nn[nH]n2)cs1 ZINC000824893395 608846982 /nfs/dbraw/zinc/84/69/82/608846982.db2.gz QIFZERWYXVWHTH-YPMHNXCESA-N 1 0 378.502 2.806 20 0 GFADRO O[C@H]1C[C@@H](c2ccc(C(F)(F)F)cc2)[N@H+](Cc2ccc(-c3nn[nH]n3)o2)C1 ZINC000826506116 608852448 /nfs/dbraw/zinc/85/24/48/608852448.db2.gz NBTOYSMJBHAVGP-JSGCOSHPSA-N 1 0 379.342 2.786 20 0 GFADRO C[C@H]1CC[C@H](C(F)(F)F)C[N@@H+]1CCC(=O)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000824910883 609149394 /nfs/dbraw/zinc/14/93/94/609149394.db2.gz ZBBUEPAZHPIYLT-AAEUAGOBSA-N 1 0 382.390 2.858 20 0 GFADRO C[C@@H]([NH2+][C@@H]1CCN(c2ncccc2Cl)C1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824555843 609149614 /nfs/dbraw/zinc/14/96/14/609149614.db2.gz YIDOLIKKAOKVDS-DGCLKSJQSA-N 1 0 387.850 2.984 20 0 GFADRO Cc1cc(N2CCC[C@H]([NH2+][C@@H](C)c3ccc(-c4nn[nH]n4)c(F)c3)C2)nc(C)n1 ZINC000826269520 609232969 /nfs/dbraw/zinc/23/29/69/609232969.db2.gz ORGWPOWEPHISPF-BBRMVZONSA-N 1 0 396.474 2.732 20 0 GFADRO C[C@@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)cn1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824655879 609251487 /nfs/dbraw/zinc/25/14/87/609251487.db2.gz GJEJZUICOIHDES-CJNGLKHVSA-N 1 0 396.474 2.714 20 0 GFADRO Cc1ccc([C@H](CNC(=O)c2ccc(Cl)c(-c3nn[nH]n3)c2)[NH+](C)C)cc1 ZINC000826283859 609290348 /nfs/dbraw/zinc/29/03/48/609290348.db2.gz CTPRVSTVXVPMCK-KRWDZBQOSA-N 1 0 384.871 2.861 20 0 GFADRO C[C@@H]1CCCC[C@@H]1OCC[NH2+]Cc1cn(C)nc1-c1ccc(-c2nn[nH]n2)cc1 ZINC000824935419 609336758 /nfs/dbraw/zinc/33/67/58/609336758.db2.gz AZNGTYDONVBHEA-BEFAXECRSA-N 1 0 395.511 2.952 20 0 GFADRO CCO[C@@H](CC[NH2+]Cc1cn(C)nc1-c1ccc(-c2nn[nH]n2)cc1)C(C)C ZINC000825576826 609341120 /nfs/dbraw/zinc/34/11/20/609341120.db2.gz OGLJPIOSFDOESB-SFHVURJKSA-N 1 0 383.500 2.808 20 0 GFADRO C[C@@H]([NH2+]CCCC(=O)N1Cc2ccccc2C1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824585984 609341114 /nfs/dbraw/zinc/34/11/14/609341114.db2.gz VRPBMRYWOPLXGG-CQSZACIVSA-N 1 0 394.454 2.979 20 0 GFADRO NC(=O)[C@H](c1ccc(-c2nn[nH]n2)cc1)[N@@H+]1CCC[C@H](c2ccc(F)cc2)CC1 ZINC000826389053 609379891 /nfs/dbraw/zinc/37/98/91/609379891.db2.gz OYQKFNXPMBRVFW-LIRRHRJNSA-N 1 0 394.454 2.802 20 0 GFADRO COc1cccc([C@@H](C)[NH2+][C@@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)c1 ZINC000826214477 609412794 /nfs/dbraw/zinc/41/27/94/609412794.db2.gz MWICMSVURHBQPY-AUUYWEPGSA-N 1 0 392.463 2.722 20 0 GFADRO O=C1[C@@H]([NH2+]C[C@H]2CCc3ccccc32)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826477021 609415380 /nfs/dbraw/zinc/41/53/80/609415380.db2.gz UIQAQQGKIUAJOK-XLIONFOSSA-N 1 0 388.475 2.682 20 0 GFADRO O=C1[C@@H]([NH2+]Cc2ccnc3ccccc23)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826477223 609417464 /nfs/dbraw/zinc/41/74/64/609417464.db2.gz XZGINICQWZZBDV-FQEVSTJZSA-N 1 0 399.458 2.700 20 0 GFADRO CC(C)[N@@H+]1CC[C@H](Nc2ccc(-c3nn[nH]n3)nn2)[C@H]1c1ccc(F)c(F)c1 ZINC000824297797 609434519 /nfs/dbraw/zinc/43/45/19/609434519.db2.gz ZXUXQVBCKFDVBN-WMLDXEAASA-N 1 0 386.410 2.571 20 0 GFADRO Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)n1C[N@H+]1C[C@H](C)[C@H]2CCCC[C@H]21 ZINC000826334925 609461998 /nfs/dbraw/zinc/46/19/98/609461998.db2.gz PKLHOSGHZVMJLQ-MORSLUCNSA-N 1 0 378.484 2.902 20 0 GFADRO CCN1CCC([N@@H+]2CCCN(Cc3cccc(Br)n3)CC2)CC1 ZINC000817286599 660188872 /nfs/dbraw/zinc/18/88/72/660188872.db2.gz VVEJJLRRVAEAIU-UHFFFAOYSA-N 1 0 381.362 2.836 20 0 GFADRO Cc1cc(NC(=O)NC[C@H]2COCC[NH2+]2)nn1-c1ccc(Cl)c(Cl)c1 ZINC000528689200 650697813 /nfs/dbraw/zinc/69/78/13/650697813.db2.gz TWJGXOQRSXJDPB-NSHDSACASA-N 1 0 384.267 2.597 20 0 GFADRO CN(C[C@@H]1CCC[N@@H+]1C)Cn1nnn(-c2ccc(Br)cc2)c1=S ZINC000817375720 660192521 /nfs/dbraw/zinc/19/25/21/660192521.db2.gz ZIQQIXNDLZUTFY-AWEZNQCLSA-N 1 0 397.346 2.544 20 0 GFADRO CCS(=O)(=O)N(C)CCC[NH2+][C@@H](c1nc(Br)cs1)C1CC1 ZINC000817574972 660201213 /nfs/dbraw/zinc/20/12/13/660201213.db2.gz FHPGPHVQZCOCFD-GFCCVEGCSA-N 1 0 396.376 2.618 20 0 GFADRO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000818572780 660228748 /nfs/dbraw/zinc/22/87/48/660228748.db2.gz LDORBHHCIIQNDX-SFHVURJKSA-N 1 0 393.281 2.983 20 0 GFADRO COCC1(CNC(=O)/C=C/c2ccc(C)cc2Br)CC[NH2+]CC1 ZINC000818591288 660229156 /nfs/dbraw/zinc/22/91/56/660229156.db2.gz ONRLXXFYVGLTTO-AATRIKPKSA-N 1 0 381.314 2.903 20 0 GFADRO COc1ccc(C(=O)NCC[NH2+]C[C@@H](O)c2ccccc2Br)cc1 ZINC000818967567 660238883 /nfs/dbraw/zinc/23/88/83/660238883.db2.gz WDWPPKYJEQSJTC-QGZVFWFLSA-N 1 0 393.281 2.511 20 0 GFADRO COc1ccc(C(=O)NCC[NH2+]C[C@H](O)c2ccccc2Br)cc1 ZINC000818967566 660239039 /nfs/dbraw/zinc/23/90/39/660239039.db2.gz WDWPPKYJEQSJTC-KRWDZBQOSA-N 1 0 393.281 2.511 20 0 GFADRO C[C@](O)(C[NH2+]CCNC(=O)c1ccccc1)c1ccc(Br)cc1F ZINC000818946361 660236464 /nfs/dbraw/zinc/23/64/64/660236464.db2.gz LBCRACIRPGBGLU-SFHVURJKSA-N 1 0 395.272 2.815 20 0 GFADRO O[C@H](C[NH2+]Cc1cccnc1N1CCOCC1)c1ccccc1Br ZINC000818949145 660237089 /nfs/dbraw/zinc/23/70/89/660237089.db2.gz JORPETSZFZLJQB-QGZVFWFLSA-N 1 0 392.297 2.504 20 0 GFADRO COCCOc1ncccc1C[NH2+]C[C@@H](O)c1ccccc1Br ZINC000818974557 660239691 /nfs/dbraw/zinc/23/96/91/660239691.db2.gz APHGVZJFGIRVIR-MRXNPFEDSA-N 1 0 381.270 2.693 20 0 GFADRO O=S(=O)(CC[NH2+]C[C@@H](O)c1cccc(Br)c1)c1ccccc1 ZINC000818977263 660240428 /nfs/dbraw/zinc/24/04/28/660240428.db2.gz VMLCUJJFHYDGEN-MRXNPFEDSA-N 1 0 384.295 2.546 20 0 GFADRO CC(C)N1CC[C@H]([NH2+]C[C@](C)(O)c2ccc(Br)cc2Cl)C1=O ZINC000819073630 660245477 /nfs/dbraw/zinc/24/54/77/660245477.db2.gz WNZYNYVKYITIKD-HOCLYGCPSA-N 1 0 389.721 2.909 20 0 GFADRO CS(=O)(=O)c1ccc([C@H](O)C[NH2+]CCc2ccccc2Br)cc1 ZINC000818987412 660241614 /nfs/dbraw/zinc/24/16/14/660241614.db2.gz XMOFICNJDUDLQX-QGZVFWFLSA-N 1 0 398.322 2.718 20 0 GFADRO CC(=O)N1CCC(C[NH2+]C[C@@](C)(O)c2ccc(Br)cc2F)CC1 ZINC000819019736 660243704 /nfs/dbraw/zinc/24/37/04/660243704.db2.gz QHEJYJYOLMECPW-QGZVFWFLSA-N 1 0 387.293 2.644 20 0 GFADRO CC(C)(C)[S@](=O)CC[NH2+]C[C@](C)(O)c1ccc(Br)cc1F ZINC000819055535 660244830 /nfs/dbraw/zinc/24/48/30/660244830.db2.gz GLZFMAZQSCSHKQ-YCRPNKLZSA-N 1 0 380.323 2.933 20 0 GFADRO Cn1ccc(N2CCC[C@@H]([NH2+]C[C@@H](O)c3ccc(Cl)cc3Cl)C2=O)n1 ZINC000819112049 660246940 /nfs/dbraw/zinc/24/69/40/660246940.db2.gz AAUPDTMVIZWGBQ-HUUCEWRRSA-N 1 0 383.279 2.546 20 0 GFADRO CC(C)(C)OC(=O)CS(=O)(=O)CC[NH2+]C[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000819140860 660247804 /nfs/dbraw/zinc/24/78/04/660247804.db2.gz FIBDWTMJVSYKCK-QWHCGFSZSA-N 1 0 387.464 2.701 20 0 GFADRO O=C1[C@@H]([NH2+]C[C@H](O)c2ccccc2)CCN1c1cccc(Br)c1 ZINC000819266145 660252916 /nfs/dbraw/zinc/25/29/16/660252916.db2.gz FAPGHCHWFSSYSQ-IRXDYDNUSA-N 1 0 375.266 2.878 20 0 GFADRO Cn1ccnc1[C@@H]1C[C@@H]([NH2+]C[C@@H](O)c2ccccc2Br)CCO1 ZINC000819360725 660256897 /nfs/dbraw/zinc/25/68/97/660256897.db2.gz KLSGWHUGTIDOSF-MAZHCROVSA-N 1 0 380.286 2.726 20 0 GFADRO C[C@H](CCNS(=O)(=O)c1ccccc1)[NH2+]C[C@H](O)c1ccc(Cl)cc1 ZINC000819298120 660253949 /nfs/dbraw/zinc/25/39/49/660253949.db2.gz JJUMETSGSMDWGJ-KDOFPFPSSA-N 1 0 382.913 2.720 20 0 GFADRO COC(=O)N1CCC(C[NH2+]C[C@H](O)c2ccc(F)c(Br)c2)CC1 ZINC000819308462 660254510 /nfs/dbraw/zinc/25/45/10/660254510.db2.gz UOAOYBKERXIUNE-HNNXBMFYSA-N 1 0 389.265 2.690 20 0 GFADRO Cc1cc(OC[C@@H](O)C[NH2+]CCS(=O)(=O)C(C)C)c(C(C)C)cc1Cl ZINC000819316808 660254708 /nfs/dbraw/zinc/25/47/08/660254708.db2.gz KYXQACRDSDRCJD-HNNXBMFYSA-N 1 0 391.961 2.924 20 0 GFADRO CCOC(=O)N1CC[C@H]([NH2+]C[C@@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000819239669 660251413 /nfs/dbraw/zinc/25/14/13/660251413.db2.gz UPQWVUFEWXMJEX-QWHCGFSZSA-N 1 0 377.268 2.554 20 0 GFADRO CCCN1C[C@H](C[NH2+]C[C@@](C)(O)c2ccc(Br)cc2F)CC1=O ZINC000819376102 660257352 /nfs/dbraw/zinc/25/73/52/660257352.db2.gz WOLUQFQPWRSEFB-YVEFUNNKSA-N 1 0 387.293 2.644 20 0 GFADRO C[N@@H+]1C[C@@H]2CCCN(S(=O)(=O)/C=C\c3ccccc3Br)[C@@H]2C1 ZINC000819913428 660274655 /nfs/dbraw/zinc/27/46/55/660274655.db2.gz IABCLUASIHLHFD-SLLMGYAOSA-N 1 0 385.327 2.776 20 0 GFADRO C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1cc2ccc(Br)cc2c(=O)o1 ZINC000820559341 660297482 /nfs/dbraw/zinc/29/74/82/660297482.db2.gz WLWMSYYVSPJEQI-HZMBPMFUSA-N 1 0 379.254 2.720 20 0 GFADRO C[N@@H+]1CCC[C@]2(CCN(C(=O)c3cc(Br)c4nccnc4c3)C2)C1 ZINC000820608397 660299062 /nfs/dbraw/zinc/29/90/62/660299062.db2.gz IDBZFEOSYJNYTB-SFHVURJKSA-N 1 0 389.297 2.950 20 0 GFADRO C[C@@H]1CN(C(=O)c2cc3ccc(Br)cc3c(=O)o2)C[C@H](C)[N@H+]1C ZINC000820688184 660302902 /nfs/dbraw/zinc/30/29/02/660302902.db2.gz MHNGKPQPLPAIPB-PHIMTYICSA-N 1 0 379.254 2.720 20 0 GFADRO C[NH+]1CCC2(CCC(NC(=O)c3cc(=O)[nH]cc3Br)CC2)CC1 ZINC000820857084 660308704 /nfs/dbraw/zinc/30/87/04/660308704.db2.gz WJDRXUGPIWJJTL-UHFFFAOYSA-N 1 0 382.302 2.934 20 0 GFADRO C[C@@H]1COCC[N@@H+]1C1CCN(C[C@@H](O)c2cccc(Br)c2)CC1 ZINC000821278468 660319790 /nfs/dbraw/zinc/31/97/90/660319790.db2.gz BDWRUNPGHFLELP-RDTXWAMCSA-N 1 0 383.330 2.668 20 0 GFADRO Cn1nc(Br)cc1NC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000821466674 660326812 /nfs/dbraw/zinc/32/68/12/660326812.db2.gz METLRYYIZUYRNQ-WFASDCNBSA-N 1 0 378.274 2.750 20 0 GFADRO Cc1nc(Br)ccc1NC(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000822338173 660343199 /nfs/dbraw/zinc/34/31/99/660343199.db2.gz XWWFRXMVQKDGBJ-CYBMUJFWSA-N 1 0 385.306 2.727 20 0 GFADRO COc1cc(/C=C\C(=O)NC[C@H](C2CC2)[NH+](C)C)cc(Br)c1O ZINC000822629416 660350396 /nfs/dbraw/zinc/35/03/96/660350396.db2.gz MUZOAPRPRSYTCX-HJHHMULASA-N 1 0 383.286 2.633 20 0 GFADRO Brc1cnn(Cc2noc(C3(c4ccccc4)CC[NH2+]CC3)n2)c1 ZINC000822841409 660355664 /nfs/dbraw/zinc/35/56/64/660355664.db2.gz JTRWRIITTRFDKI-UHFFFAOYSA-N 1 0 388.269 2.746 20 0 GFADRO CCn1ncc(C(=O)N[C@@H](C[NH+](C)C)c2ccc(F)cc2)c1Br ZINC000822939016 660358473 /nfs/dbraw/zinc/35/84/73/660358473.db2.gz DAUNNPGQVWJNKL-AWEZNQCLSA-N 1 0 383.265 2.837 20 0 GFADRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC000823124123 660362487 /nfs/dbraw/zinc/36/24/87/660362487.db2.gz KJHRUXXCOYICLL-XJKSGUPXSA-N 1 0 375.296 2.596 20 0 GFADRO COCc1nc(Cc2noc(C[C@H]([NH3+])c3cc(C)nc(Cl)c3)n2)cs1 ZINC000823225515 660365475 /nfs/dbraw/zinc/36/54/75/660365475.db2.gz QORQXNHEGXIWLS-LBPRGKRZSA-N 1 0 379.873 2.863 20 0 GFADRO O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1c(Br)nc2n1CCC2 ZINC000823501064 660373935 /nfs/dbraw/zinc/37/39/35/660373935.db2.gz ISFMRIFFOYNTLL-CQSZACIVSA-N 1 0 389.297 2.596 20 0 GFADRO C[NH+](C)CCn1c(=O)[nH]c2ccc(C(=O)NC[C@@]3(C)CC3(Cl)Cl)cc21 ZINC000823350904 660369398 /nfs/dbraw/zinc/36/93/98/660369398.db2.gz AXVILLRGGDVELK-MRXNPFEDSA-N 1 0 385.295 2.617 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]C1CCC(C)(O)CC1 ZINC000823961076 660383364 /nfs/dbraw/zinc/38/33/64/660383364.db2.gz JNTRLBYBGCOFKK-RTYYOJRZSA-N 1 0 399.329 2.746 20 0 GFADRO O=S(=O)(CC[NH2+]Cc1ccnc2c(Br)cccc12)CC1CC1 ZINC000824017493 660383951 /nfs/dbraw/zinc/38/39/51/660383951.db2.gz DIONSUPOTSZWLH-UHFFFAOYSA-N 1 0 383.311 2.912 20 0 GFADRO CC(C)[N@@H+]1CC[C@H](CNC(=O)[C@@]2(C)CC2(Br)Br)C1 ZINC000824295970 660389321 /nfs/dbraw/zinc/38/93/21/660389321.db2.gz UTXKFMBFRHXHRR-ZYHUDNBSSA-N 1 0 382.140 2.729 20 0 GFADRO CC[N@@H+]1CCC[C@H](CNC(=O)[C@]2(C)CC2(Br)Br)C1 ZINC000824638795 660398562 /nfs/dbraw/zinc/39/85/62/660398562.db2.gz CBEXQGSYXVVOJU-PWSUYJOCSA-N 1 0 382.140 2.731 20 0 GFADRO C[NH+](C)C[C@H]1COC2(CCCC2)CN1C(=O)c1csc(Br)n1 ZINC000824752030 660401028 /nfs/dbraw/zinc/40/10/28/660401028.db2.gz BOZLZGNWQJHNOY-NSHDSACASA-N 1 0 388.331 2.621 20 0 GFADRO C[NH+]1CCC(CCNC(=O)[C@@]2(C)CC2(Br)Br)CC1 ZINC000825084838 660410135 /nfs/dbraw/zinc/41/01/35/660410135.db2.gz RSJFDKQMTOEMNK-GFCCVEGCSA-N 1 0 382.140 2.731 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)c1c(Br)nc2n1CCC2)C1CCCCC1 ZINC000825035667 660408237 /nfs/dbraw/zinc/40/82/37/660408237.db2.gz OANMQJBDPNYJKU-CYBMUJFWSA-N 1 0 383.334 2.832 20 0 GFADRO Cn1ncc(Br)c1C(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1 ZINC000825294459 660418959 /nfs/dbraw/zinc/41/89/59/660418959.db2.gz RGBPOOKIQKEZHK-UHFFFAOYSA-N 1 0 392.301 2.577 20 0 GFADRO C[N@@H+]1CC[C@H](CC(=O)Nc2ccc(N3CC[C@@H](CO)C3)c(Br)c2)C1 ZINC000825298637 660419303 /nfs/dbraw/zinc/41/93/03/660419303.db2.gz WTEFENMYODMRGT-ZIAGYGMSSA-N 1 0 396.329 2.548 20 0 GFADRO COCC[N@H+]1[C@H](C)CN(C(=O)NCc2csc(Br)c2)C[C@@H]1C ZINC000825785335 660442375 /nfs/dbraw/zinc/44/23/75/660442375.db2.gz JSDLESJHPIQWES-TXEJJXNPSA-N 1 0 390.347 2.761 20 0 GFADRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2sc(N(C)C)nc2Cl)[C@@H](C)C1 ZINC000825874228 660444490 /nfs/dbraw/zinc/44/44/90/660444490.db2.gz WIDGVXPCEDTIEN-QWHCGFSZSA-N 1 0 388.965 2.729 20 0 GFADRO Cc1ncsc1-c1ccc(C[NH2+]CCS(=O)(=O)C2CCOCC2)cc1 ZINC000826064299 660448824 /nfs/dbraw/zinc/44/88/24/660448824.db2.gz HYCOBMJMZLURDF-UHFFFAOYSA-N 1 0 380.535 2.802 20 0 GFADRO COCCC[N@H+](C)CCNC(=O)C(F)(F)c1ccccc1Br ZINC000826080319 660449433 /nfs/dbraw/zinc/44/94/33/660449433.db2.gz LBPCPSAOKDXXGE-UHFFFAOYSA-N 1 0 379.245 2.625 20 0 GFADRO CN1Cc2ccccc2[C@H]1CNC(=O)c1c(Br)nc2n1CCCC2 ZINC000826689044 660461358 /nfs/dbraw/zinc/46/13/58/660461358.db2.gz JPJUZKGMBXIYFU-CQSZACIVSA-N 1 0 389.297 2.898 20 0 GFADRO CO[C@@H]1CCC[C@H]([C@@H](CO)[NH2+]Cc2nc3ccccn3c2Br)C1 ZINC000826901952 660471023 /nfs/dbraw/zinc/47/10/23/660471023.db2.gz FLBNLZRQRVCGRS-GZBFAFLISA-N 1 0 382.302 2.753 20 0 GFADRO O=C(c1cc(Br)cnc1Br)N1CC[C@H]([NH+]2CCC2)C1 ZINC000826949300 660472749 /nfs/dbraw/zinc/47/27/49/660472749.db2.gz HUNXVHQPWHXWIC-JTQLQIEISA-N 1 0 389.091 2.527 20 0 GFADRO CN(C(=O)[C@@]1(C)CC1(Br)Br)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000827293351 660487872 /nfs/dbraw/zinc/48/78/72/660487872.db2.gz YAVOJAILFFAIRK-ZYHUDNBSSA-N 1 0 380.124 2.578 20 0 GFADRO Cc1cc(Br)ccc1C(=O)N1CCC([NH+]2CCN(C)CC2)CC1 ZINC000827463129 660497533 /nfs/dbraw/zinc/49/75/33/660497533.db2.gz XGEIGFSZKHMACA-UHFFFAOYSA-N 1 0 380.330 2.610 20 0 GFADRO CN1CC[NH+](C2CCN(C(=O)CSCc3cccc(Cl)c3)CC2)CC1 ZINC000827472867 660498440 /nfs/dbraw/zinc/49/84/40/660498440.db2.gz BPGYOIKVDISUPL-UHFFFAOYSA-N 1 0 381.973 2.812 20 0 GFADRO O=C1CCCN1C[C@@H]1CC[N@@H+](Cc2ccccc2I)C1 ZINC000827638836 660506111 /nfs/dbraw/zinc/50/61/11/660506111.db2.gz BWEKOZQFHBDTLU-CYBMUJFWSA-N 1 0 384.261 2.736 20 0 GFADRO Cc1cc(C(=O)Nc2cnn(C3CC[NH+](C)CC3)c2)cnc1Br ZINC000828099922 660531663 /nfs/dbraw/zinc/53/16/63/660531663.db2.gz QGZQHSJQEPVQIX-UHFFFAOYSA-N 1 0 378.274 2.868 20 0 GFADRO C[N@H+]1C[C@@H](c2ccccc2)[C@H](CNS(=O)(=O)c2ccc(Br)o2)C1 ZINC000828123946 660535339 /nfs/dbraw/zinc/53/53/39/660535339.db2.gz XPKMUQNMNNBCQO-KGLIPLIRSA-N 1 0 399.310 2.666 20 0 GFADRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1ccc(C(F)(F)Br)nc1 ZINC000828590946 660558481 /nfs/dbraw/zinc/55/84/81/660558481.db2.gz HHCYYZOYGMUMPD-JQWIXIFHSA-N 1 0 376.245 2.938 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2csc(I)n2)[C@H](C)C1 ZINC000828596449 660558921 /nfs/dbraw/zinc/55/89/21/660558921.db2.gz VOZCSZNITFRXEQ-MWLCHTKSSA-N 1 0 393.294 2.550 20 0 GFADRO CC(C)CN(CC1CC[NH+](C)CC1)C(=O)c1cc(=O)[nH]cc1Br ZINC000828607561 660559293 /nfs/dbraw/zinc/55/92/93/660559293.db2.gz CACAIWZIRGZDKU-UHFFFAOYSA-N 1 0 384.318 2.990 20 0 GFADRO C[C@H](NC(=O)[C@]1(C)CC1(Br)Br)C(C)(C)C[NH+](C)C ZINC000828622411 660560012 /nfs/dbraw/zinc/56/00/12/660560012.db2.gz SDDDMZBUWTUSSH-CABZTGNLSA-N 1 0 384.156 2.975 20 0 GFADRO CCN1CCC([NH+]2CCC(C(=O)Nc3n[nH]c(C)c3Br)CC2)CC1 ZINC000616009124 651888784 /nfs/dbraw/zinc/88/87/84/651888784.db2.gz PLAUTKZHRRCJPW-UHFFFAOYSA-N 1 0 398.349 2.615 20 0 GFADRO CN(CC[NH+]1CC2(C1)CCOCC2)C(=O)Cc1sccc1Br ZINC000829235774 660585914 /nfs/dbraw/zinc/58/59/14/660585914.db2.gz MQAXHUASFPZUCP-UHFFFAOYSA-N 1 0 387.343 2.624 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)c2cc(Br)cc3[nH]c(=O)[nH]c32)C1 ZINC000829703337 660608507 /nfs/dbraw/zinc/60/85/07/660608507.db2.gz DPMYDZGXKKDFDB-GHMZBOCLSA-N 1 0 381.274 2.634 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)[C@@]2(C)CC2(Br)Br)C1 ZINC000829704040 660608519 /nfs/dbraw/zinc/60/85/19/660608519.db2.gz KANUNDQLLSKPNM-HOSYDEDBSA-N 1 0 382.140 2.872 20 0 GFADRO Cc1ncc2c(n1)CCC[C@H]2NC(=O)[C@](C)([NH3+])c1ccc(Br)cc1 ZINC000829805844 660614827 /nfs/dbraw/zinc/61/48/27/660614827.db2.gz WGSXHJQQZLRRNL-SJLPKXTDSA-N 1 0 389.297 2.915 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)Nc2nnc(-c3ccco3)s2)CC[C@@H]1C(F)(F)F ZINC000625848770 652373489 /nfs/dbraw/zinc/37/34/89/652373489.db2.gz GTGYYCXTOVAQJF-BDAKNGLRSA-N 1 0 375.376 2.789 20 0 GFADRO CCN(CC[NH3+])C(=O)Nc1nnc(-c2cccc(OC(F)(F)F)c2)s1 ZINC000625888195 652374776 /nfs/dbraw/zinc/37/47/76/652374776.db2.gz QWFOFUUVZNFWME-UHFFFAOYSA-N 1 0 375.376 2.916 20 0 GFADRO C[NH2+]CCOCCN(C)C(=O)Nc1nnc(-c2ccc(Cl)cc2F)s1 ZINC000625884541 652374890 /nfs/dbraw/zinc/37/48/90/652374890.db2.gz XKAIGRFBUXOIIV-UHFFFAOYSA-N 1 0 387.868 2.697 20 0 GFADRO O=C1OCCN1C[C@H]1CC[N@@H+](C[C@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000830094982 660634598 /nfs/dbraw/zinc/63/45/98/660634598.db2.gz KGYBTRACDAYOGW-STQMWFEESA-N 1 0 389.279 2.507 20 0 GFADRO CC(C)[N@H+](C)CC(=O)NCc1cc(Br)cc(Br)c1N ZINC000830247099 660644883 /nfs/dbraw/zinc/64/48/83/660644883.db2.gz OPRYEXJXDSPZSC-UHFFFAOYSA-N 1 0 393.123 2.750 20 0 GFADRO C[N@@H+]1CCC[C@H]1C(=O)NCc1cc(Br)cc(Br)c1N ZINC000830247265 660645308 /nfs/dbraw/zinc/64/53/08/660645308.db2.gz VAILJQPWACWUBN-NSHDSACASA-N 1 0 391.107 2.504 20 0 GFADRO CN(C)C(=O)O[C@H]1CCC[N@H+](CCC(=O)Nc2ccccc2Br)C1 ZINC000830584599 660665504 /nfs/dbraw/zinc/66/55/04/660665504.db2.gz UNRJTWVVSAZVQC-ZDUSSCGKSA-N 1 0 398.301 2.940 20 0 GFADRO Cc1cc(Br)c(S(=O)(=O)N(CCC[NH3+])CC(F)(F)F)s1 ZINC000883470716 663055590 /nfs/dbraw/zinc/05/55/90/663055590.db2.gz FCVYMRVABSCACQ-UHFFFAOYSA-N 1 0 395.266 2.721 20 0 GFADRO [NH3+]CCCCCCNC(=O)NCc1cc(Br)c2c(c1)OCCO2 ZINC000831117352 660697029 /nfs/dbraw/zinc/69/70/29/660697029.db2.gz SOQMJDXXMVBQMD-UHFFFAOYSA-N 1 0 386.290 2.539 20 0 GFADRO CC(=O)NCc1ccc(-c2nc(NC(=O)C[C@@H]([NH3+])C3CC3)sc2C)s1 ZINC000831848697 660731550 /nfs/dbraw/zinc/73/15/50/660731550.db2.gz KXGJYQLSFOPKMJ-CYBMUJFWSA-N 1 0 378.523 2.882 20 0 GFADRO CC(C)(O)C[N@@H+]1CCc2c(cccc2NC(=O)c2cc(Br)[nH]n2)C1 ZINC000832052849 660749290 /nfs/dbraw/zinc/74/92/90/660749290.db2.gz JHKWWIPPOOGMRD-UHFFFAOYSA-N 1 0 393.285 2.554 20 0 GFADRO O=C(/C=C(/c1ccc(Cl)cc1)C(F)(F)F)NCCCN1CC[NH2+]CC1 ZINC000832217448 660764491 /nfs/dbraw/zinc/76/44/91/660764491.db2.gz GOKOIAOYUOFVHU-QINSGFPZSA-N 1 0 375.822 2.697 20 0 GFADRO CC[NH2+]CCCNC(=O)c1cnn(-c2ncccc2Cl)c1C(F)(F)Cl ZINC000832378481 660776775 /nfs/dbraw/zinc/77/67/75/660776775.db2.gz SASJGWDDSXSUMF-UHFFFAOYSA-N 1 0 392.237 2.938 20 0 GFADRO [NH3+]C[C@@H]1CCN(C(=O)c2cnn(-c3ncccc3Cl)c2C(F)(F)Cl)C1 ZINC000832549604 660785576 /nfs/dbraw/zinc/78/55/76/660785576.db2.gz XUMDGUWMAZNIEK-VIFPVBQESA-N 1 0 390.221 2.630 20 0 GFADRO C[N@@H+](C[C@H](O)c1ccccc1Br)C[C@H](O)COc1ccccc1F ZINC000832672021 660793870 /nfs/dbraw/zinc/79/38/70/660793870.db2.gz HPOYEGGSYVOTJS-GUYCJALGSA-N 1 0 398.272 2.993 20 0 GFADRO CCN(CCC[NH+](CC)CC)C(=O)c1csc(I)n1 ZINC000832836661 660802870 /nfs/dbraw/zinc/80/28/70/660802870.db2.gz UOADSXSKVICEKN-UHFFFAOYSA-N 1 0 395.310 2.942 20 0 GFADRO COc1cc(/C=C/C(=O)NCC23CCC[NH+]2CCC3)cc(Br)c1O ZINC000834755785 660832036 /nfs/dbraw/zinc/83/20/36/660832036.db2.gz XCZKFWQIBICBCF-SNAWJCMRSA-N 1 0 395.297 2.921 20 0 GFADRO CSC[C@@H](CCO)[NH2+]Cc1nc2c(s1)CN(C(=O)OC(C)(C)C)CC2 ZINC000835039629 660839275 /nfs/dbraw/zinc/83/92/75/660839275.db2.gz HZIJENLXKXXTSQ-GFCCVEGCSA-N 1 0 387.571 2.640 20 0 GFADRO CC[C@@H]([NH2+]CCS(=O)(=O)C(C)(C)C)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000834646070 660828714 /nfs/dbraw/zinc/82/87/14/660828714.db2.gz WDEKFIVGLGNLDK-CABCVRRESA-N 1 0 376.563 2.967 20 0 GFADRO COc1cc(NC(=O)NCC(F)(F)Br)ccc1OCC[NH+](C)C ZINC000841819940 661315907 /nfs/dbraw/zinc/31/59/07/661315907.db2.gz GICYOBZZIWRYJL-UHFFFAOYSA-N 1 0 396.232 2.745 20 0 GFADRO C[NH+](C)CCOc1cc(CNC(=O)NCC[C@]2(C)CC2(Cl)Cl)ccn1 ZINC000836380524 660902791 /nfs/dbraw/zinc/90/27/91/660902791.db2.gz VJVMDCQITOVMAM-MRXNPFEDSA-N 1 0 389.327 2.795 20 0 GFADRO C[C@@H]1CN(C(=O)Nc2cc3c(cc2Br)OCCO3)C[C@H](C)[N@H+]1C ZINC000836222560 660896039 /nfs/dbraw/zinc/89/60/39/660896039.db2.gz YTCVMDOFWPSJJV-PHIMTYICSA-N 1 0 384.274 2.777 20 0 GFADRO COc1nc(Br)ccc1NC(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000836558540 660916025 /nfs/dbraw/zinc/91/60/25/660916025.db2.gz WDHSDWKRZAFSHI-MRXNPFEDSA-N 1 0 383.290 2.802 20 0 GFADRO Cc1cc(Br)nc(NC(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c1 ZINC000836763912 660940614 /nfs/dbraw/zinc/94/06/14/660940614.db2.gz NDQBJMJJOLAMOG-UONOGXRCSA-N 1 0 397.317 2.652 20 0 GFADRO O=C(Nc1ccnc(Br)c1)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000836693864 660931589 /nfs/dbraw/zinc/93/15/89/660931589.db2.gz ZMZBNEMGWVCYGP-UHFFFAOYSA-N 1 0 397.317 2.810 20 0 GFADRO C[C@@H]1CN(C(=O)Cc2ccc(Cl)cc2Br)C[C@H](C)[N@H+]1CCO ZINC000836865981 660951226 /nfs/dbraw/zinc/95/12/26/660951226.db2.gz SETDGPZEWJTRPC-TXEJJXNPSA-N 1 0 389.721 2.559 20 0 GFADRO CN(CC[NH+](C)C)S(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000008203477 654480978 /nfs/dbraw/zinc/48/09/78/654480978.db2.gz UAPDTPBJIGRCRW-UHFFFAOYSA-N 1 0 378.338 2.906 20 0 GFADRO CC1CC[NH+](CCCNC(=O)CNC(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000028068983 654570102 /nfs/dbraw/zinc/57/01/02/654570102.db2.gz YUKPPDNYGZQQGH-UHFFFAOYSA-N 1 0 386.323 2.961 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1CCCNS(=O)(=O)c1ccc(Br)cc1 ZINC000037388888 654614888 /nfs/dbraw/zinc/61/48/88/654614888.db2.gz ZGMFOELGNDPXQY-CYBMUJFWSA-N 1 0 375.332 2.992 20 0 GFADRO C[C@H]1C[NH+](CCCNC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)C[C@H](C)O1 ZINC000041275506 654625430 /nfs/dbraw/zinc/62/54/30/654625430.db2.gz JIPYIEDTMNPYNG-RYUDHWBXSA-N 1 0 388.295 2.547 20 0 GFADRO COC(=O)CCCNC(=S)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000041745469 654630666 /nfs/dbraw/zinc/63/06/66/654630666.db2.gz HSTDDRNZQGRXBN-INIZCTEOSA-N 1 0 383.945 2.894 20 0 GFADRO CN(CC(=O)NC1CC[NH+](C2CC2)CC1)Cc1ccc(Br)cc1 ZINC000042328354 654638356 /nfs/dbraw/zinc/63/83/56/654638356.db2.gz MIVYXSZWRZBTDX-UHFFFAOYSA-N 1 0 380.330 2.624 20 0 GFADRO C[N@H+](CCCCNC(=O)/C=C/c1ccc(I)o1)C1CC1 ZINC000837225012 660979890 /nfs/dbraw/zinc/97/98/90/660979890.db2.gz JHIAIOCOULIZTQ-VQHVLOKHSA-N 1 0 388.249 2.888 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CNC(=S)NCCNc1ncc(Cl)cc1Cl ZINC000044159733 654654777 /nfs/dbraw/zinc/65/47/77/654654777.db2.gz BVOCYKGUPZNLQL-GFCCVEGCSA-N 1 0 376.357 2.749 20 0 GFADRO Cc1nn(-c2cc(C)ccc2C)c(Cl)c1C[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC000044863110 654664269 /nfs/dbraw/zinc/66/42/69/654664269.db2.gz BGGZZMJKWNWBHT-OAHLLOKOSA-N 1 0 381.929 2.975 20 0 GFADRO C[C@@H](CNC(=O)c1c(Br)nc2n1CCCC2)[NH+]1CCC(C)CC1 ZINC000837367773 660989418 /nfs/dbraw/zinc/98/94/18/660989418.db2.gz CCAXMTNJBGBLGU-ZDUSSCGKSA-N 1 0 383.334 2.832 20 0 GFADRO C[C@H](CNC(=O)c1c(Br)nc2n1CCCC2)[NH+]1CCC(C)CC1 ZINC000837367772 660989556 /nfs/dbraw/zinc/98/95/56/660989556.db2.gz CCAXMTNJBGBLGU-CYBMUJFWSA-N 1 0 383.334 2.832 20 0 GFADRO C[NH+]1CCN(c2cc(CNC(=O)c3ccccc3Br)ccn2)CC1 ZINC000048330224 654705011 /nfs/dbraw/zinc/70/50/11/654705011.db2.gz JTUFYFZSKKSPSS-UHFFFAOYSA-N 1 0 389.297 2.526 20 0 GFADRO O=C(NC[C@@H](O)C(F)(F)F)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000048740691 654712421 /nfs/dbraw/zinc/71/24/21/654712421.db2.gz CGCGOCQDHLVSQO-UONOGXRCSA-N 1 0 379.810 2.699 20 0 GFADRO C[NH+](C)C1(CNC(=O)C(=O)Nc2ccc(F)cc2Br)CCCC1 ZINC000048744554 654712786 /nfs/dbraw/zinc/71/27/86/654712786.db2.gz BERDELRQVUUHFW-UHFFFAOYSA-N 1 0 386.265 2.517 20 0 GFADRO CS(=O)(=O)NCCC[NH2+]Cc1sc(Sc2ccccc2)nc1Cl ZINC000051187479 654722756 /nfs/dbraw/zinc/72/27/56/654722756.db2.gz MTUIUVCMHIBGRV-UHFFFAOYSA-N 1 0 391.971 2.977 20 0 GFADRO C[NH+](C)CCN(C(=O)c1c(Br)nc2n1CCCC2)C1CCCC1 ZINC000837415188 660994718 /nfs/dbraw/zinc/99/47/18/660994718.db2.gz WYAVUVJESIOIJP-UHFFFAOYSA-N 1 0 383.334 2.928 20 0 GFADRO C[C@@H](NC(=O)CN1CC[NH+](CC2CC2)CC1)c1ccc(Br)cc1 ZINC000052164746 654733653 /nfs/dbraw/zinc/73/36/53/654733653.db2.gz ABFVYCDULRZUGY-CQSZACIVSA-N 1 0 380.330 2.654 20 0 GFADRO Cc1sc(Br)cc1S(=O)(=O)NCCC[NH+]1CCCCC1 ZINC000122324742 654733954 /nfs/dbraw/zinc/73/39/54/654733954.db2.gz VIHVJRPZUQIRDF-UHFFFAOYSA-N 1 0 381.361 2.973 20 0 GFADRO Cc1sc(Br)cc1S(=O)(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000122445455 654737350 /nfs/dbraw/zinc/73/73/50/654737350.db2.gz PLCHSFCEXORMMS-NSHDSACASA-N 1 0 379.345 2.678 20 0 GFADRO C[NH+](C)CCN1CCN(C(=O)c2csc(-c3ccc(Cl)cc3)n2)CC1 ZINC000053305490 654743741 /nfs/dbraw/zinc/74/37/41/654743741.db2.gz YCZMOWVUVVZVGF-UHFFFAOYSA-N 1 0 378.929 2.783 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)C(=O)NC[C@H](C(C)C)[NH+]1CCCC1 ZINC000122860064 654744807 /nfs/dbraw/zinc/74/48/07/654744807.db2.gz XHANVBIZRUMPGI-MRXNPFEDSA-N 1 0 396.329 2.933 20 0 GFADRO O=C(NCC[NH+]1CCCCC1)[C@@H]1CCN(c2cc(Cl)ccc2Cl)C1=O ZINC000053514656 654748127 /nfs/dbraw/zinc/74/81/27/654748127.db2.gz DJAPSUPNHCSWEB-AWEZNQCLSA-N 1 0 384.307 2.948 20 0 GFADRO C[NH+](C)CCN(Cc1ccco1)C(=O)C(=O)Nc1ccccc1Br ZINC000123054863 654751547 /nfs/dbraw/zinc/75/15/47/654751547.db2.gz LJJTZEZRBWWFPK-UHFFFAOYSA-N 1 0 394.269 2.571 20 0 GFADRO CC[NH+]1CCN(CCCNC(=O)[C@@H](C)Cc2ccc(Br)cc2)CC1 ZINC000123258011 654754467 /nfs/dbraw/zinc/75/44/67/654754467.db2.gz QHZCPOSAMLCRFN-INIZCTEOSA-N 1 0 396.373 2.772 20 0 GFADRO C[C@H]1C[C@H](NS(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)C[N@@H+]1C1CC1 ZINC000123979229 654767678 /nfs/dbraw/zinc/76/76/78/654767678.db2.gz HDMABZGGGPGJNJ-UWVGGRQHSA-N 1 0 380.844 2.845 20 0 GFADRO CC[NH+](CC)[C@@H]1CCN(Cn2nc(Br)c(=O)c3ccccc32)C1 ZINC000124238305 654772442 /nfs/dbraw/zinc/77/24/42/654772442.db2.gz HGDCVHTUQLNVSR-CYBMUJFWSA-N 1 0 379.302 2.533 20 0 GFADRO O=C(c1cncc(I)c1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000124343108 654774679 /nfs/dbraw/zinc/77/46/79/654774679.db2.gz USGCJMMBTFDYPT-CYBMUJFWSA-N 1 0 399.276 2.634 20 0 GFADRO CCn1c(SCC(=O)NCCC[NH+](C)C)nnc1-c1cccc(Cl)c1 ZINC000124501318 654776849 /nfs/dbraw/zinc/77/68/49/654776849.db2.gz HBAFVGGSRKPTCC-UHFFFAOYSA-N 1 0 381.933 2.778 20 0 GFADRO CCSc1nn(CN2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c(=S)s1 ZINC000124615337 654779447 /nfs/dbraw/zinc/77/94/47/654779447.db2.gz IJVLSHBYDFIXGV-YIONKMFJSA-N 1 0 399.655 2.986 20 0 GFADRO CC[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccc(Cl)c(S(=O)(=O)N(C)C)c2)C1 ZINC000125118763 654788232 /nfs/dbraw/zinc/78/82/32/654788232.db2.gz VXMAJYYCBIGLKT-STQMWFEESA-N 1 0 387.933 2.649 20 0 GFADRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1c(Br)nc2n1CCCC2 ZINC000837631286 661008629 /nfs/dbraw/zinc/00/86/29/661008629.db2.gz VWVXFFOBSAWLPA-STQMWFEESA-N 1 0 381.318 2.681 20 0 GFADRO Cc1c(Br)cc(C(=O)OC[C@@H]2CCCC[N@H+]2C(C)C)c(=O)n1C ZINC000837672344 661010645 /nfs/dbraw/zinc/01/06/45/661010645.db2.gz GCFLSKQOVJGVRC-ZDUSSCGKSA-N 1 0 385.302 2.876 20 0 GFADRO Cc1c(Br)cc(C(=O)OC[C@H]2CCCC[N@H+]2C(C)C)c(=O)n1C ZINC000837672342 661010751 /nfs/dbraw/zinc/01/07/51/661010751.db2.gz GCFLSKQOVJGVRC-CYBMUJFWSA-N 1 0 385.302 2.876 20 0 GFADRO C[C@H](CNC(=O)[C@H]1CCN(c2cc(Cl)ccc2Cl)C1=O)[N@H+](C)C1CC1 ZINC000057702196 654808570 /nfs/dbraw/zinc/80/85/70/654808570.db2.gz NFTVASPFTRBDLU-BXUZGUMPSA-N 1 0 384.307 2.945 20 0 GFADRO CC[N@H+](C)CCNC(=O)C(=O)Nc1cccc(Cl)c1SCC(F)F ZINC000126363381 654813095 /nfs/dbraw/zinc/81/30/95/654813095.db2.gz LAALQZRPTAIRCS-UHFFFAOYSA-N 1 0 379.860 2.704 20 0 GFADRO CCC(=O)N1CC[C@H]([NH2+][C@H](C)CC(=O)Nc2cccc(Br)c2)C1 ZINC000126366917 654813408 /nfs/dbraw/zinc/81/34/08/654813408.db2.gz CQFLFUCJXWZFJD-DOMZBBRYSA-N 1 0 382.302 2.767 20 0 GFADRO CC[NH+]1CCN(CC(=O)Nc2cc(Br)ccc2OC(C)C)CC1 ZINC000126597045 654816052 /nfs/dbraw/zinc/81/60/52/654816052.db2.gz MBAKLIDNRCAGAV-UHFFFAOYSA-N 1 0 384.318 2.812 20 0 GFADRO COC(=O)c1ccc(S(=O)(=O)NC[C@H](C)[NH+]2CCC(C)CC2)c(Cl)c1 ZINC000060357589 654828235 /nfs/dbraw/zinc/82/82/35/654828235.db2.gz QLTCMOKPZVSHDT-ZDUSSCGKSA-N 1 0 388.917 2.525 20 0 GFADRO O=S(=O)(CCC[NH2+]C1CCN(CC(F)(F)F)CC1)Cc1ccccc1 ZINC000127398356 654828900 /nfs/dbraw/zinc/82/89/00/654828900.db2.gz APYDJGIMODMIBJ-UHFFFAOYSA-N 1 0 378.460 2.608 20 0 GFADRO C[C@@H](CNC(=O)Cc1cccc(I)c1)C[NH+]1CCCC1 ZINC000127583675 654832227 /nfs/dbraw/zinc/83/22/27/654832227.db2.gz PLHJVJWBTCNEKE-ZDUSSCGKSA-N 1 0 386.277 2.682 20 0 GFADRO O=C(NCc1ccc(O)c(Br)c1)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000127810828 654834706 /nfs/dbraw/zinc/83/47/06/654834706.db2.gz KAULDFNQQJIPMZ-CYBMUJFWSA-N 1 0 382.302 2.971 20 0 GFADRO O=S1(=O)CC[C@@H]([NH2+]Cc2ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc2)C1 ZINC000061002650 654835030 /nfs/dbraw/zinc/83/50/30/654835030.db2.gz YPWOCEUJUMNEQD-ZYHUDNBSSA-N 1 0 391.333 2.835 20 0 GFADRO C[C@H](Sc1ccc(Br)cc1)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000061649123 654841407 /nfs/dbraw/zinc/84/14/07/654841407.db2.gz GVMJKLXJGBYNDH-AEGPPILISA-N 1 0 399.354 2.909 20 0 GFADRO Cc1cc(C)c(Br)c(C(=O)N2CCC([N@H+](C)CCCO)CC2)c1 ZINC000128126308 654841381 /nfs/dbraw/zinc/84/13/81/654841381.db2.gz CKHVXWHEZMKKNP-UHFFFAOYSA-N 1 0 383.330 2.985 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1ccc(Br)cc1)c1ccccc1 ZINC000061781746 654842596 /nfs/dbraw/zinc/84/25/96/654842596.db2.gz WFMRSRKYEGGLAO-INIZCTEOSA-N 1 0 390.281 2.807 20 0 GFADRO C[C@H](CNC(=O)C(=O)Nc1ccc(Br)cc1)[N@@H+]1CCCC[C@@H]1C ZINC000062120288 654843829 /nfs/dbraw/zinc/84/38/29/654843829.db2.gz KRMOUZNLEDSDQI-QWHCGFSZSA-N 1 0 382.302 2.767 20 0 GFADRO CC[NH+](CC)[C@@H]1CCN(S(=O)(=O)c2cc(Br)ccc2C)C1 ZINC000062983935 654848304 /nfs/dbraw/zinc/84/83/04/654848304.db2.gz PRNLOPBJCSLMTH-CQSZACIVSA-N 1 0 375.332 2.862 20 0 GFADRO CCC[NH+]1CCC(CNC(=O)C(=O)Nc2ccccc2Br)CC1 ZINC000128615637 654848516 /nfs/dbraw/zinc/84/85/16/654848516.db2.gz XMGGFYZWCAABFT-UHFFFAOYSA-N 1 0 382.302 2.626 20 0 GFADRO C[C@@H]([NH2+]Cc1nc(-c2cccc(Br)c2)c[nH]1)[C@H]1CN(C)CCO1 ZINC000129119736 654857409 /nfs/dbraw/zinc/85/74/09/654857409.db2.gz VMJMIVVZWXPUOS-MLGOLLRUSA-N 1 0 379.302 2.648 20 0 GFADRO O=C1[C@@H]([NH2+]Cc2cnc3ccc(Br)cn23)CCN1Cc1ccccc1 ZINC000266204925 654863025 /nfs/dbraw/zinc/86/30/25/654863025.db2.gz MHKKUVCHYGGLSG-KRWDZBQOSA-N 1 0 399.292 2.988 20 0 GFADRO Cc1nc(C(=O)N2C[C@H](C)[C@H]([NH+](C)C)C2)nn1-c1c(Cl)cccc1Cl ZINC000266223172 654864368 /nfs/dbraw/zinc/86/43/68/654864368.db2.gz RWGATDSVDCJTAO-IINYFYTJSA-N 1 0 382.295 2.905 20 0 GFADRO C[NH+](C)C1(CNC(=O)NCc2cc3c(c(Br)c2)OCO3)CCCC1 ZINC000064764490 654875395 /nfs/dbraw/zinc/87/53/95/654875395.db2.gz XPYPGYSSGMWRNW-UHFFFAOYSA-N 1 0 398.301 2.851 20 0 GFADRO O=C(NC[C@H]1CCC[NH2+]C1)c1ccc(I)cc1Cl ZINC000129899505 654876684 /nfs/dbraw/zinc/87/66/84/654876684.db2.gz YTGZUJCLODFQDN-VIFPVBQESA-N 1 0 378.641 2.674 20 0 GFADRO CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+][C@H]2CCCN(c3ccccc3Cl)C2=O)C1 ZINC000266430141 654878685 /nfs/dbraw/zinc/87/86/85/654878685.db2.gz CVEVJPDJXXVMIO-LZWOXQAQSA-N 1 0 384.929 2.781 20 0 GFADRO Cc1cc(NC(=O)c2cc(Br)nn2C)ccc1OCC[NH+](C)C ZINC000838181539 661031884 /nfs/dbraw/zinc/03/18/84/661031884.db2.gz WFXCMUQBPVXIQT-UHFFFAOYSA-N 1 0 381.274 2.684 20 0 GFADRO CCOc1c(Br)cc(Cl)cc1NC(=O)C[C@@H]1COCC[NH2+]1 ZINC000130188644 654882828 /nfs/dbraw/zinc/88/28/28/654882828.db2.gz LXXBNKDWMBJZQE-SNVBAGLBSA-N 1 0 377.666 2.818 20 0 GFADRO Cc1cc(N2CC[C@@H]([NH2+][C@H]3CCc4cc(Br)ccc43)C2=O)n(C)n1 ZINC000266513075 654882845 /nfs/dbraw/zinc/88/28/45/654882845.db2.gz XYOKLCCYHHTURS-JKSUJKDBSA-N 1 0 389.297 2.873 20 0 GFADRO C[C@@H]1C[C@H](N(C)C(=O)CCN2C(=S)N=NC2c2cccs2)CC[N@@H+]1C ZINC000266554506 654884733 /nfs/dbraw/zinc/88/47/33/654884733.db2.gz ULPIRZMCSUQYQX-CHWSQXEVSA-N 1 0 379.555 2.627 20 0 GFADRO CC(C)Oc1cc(Br)cc(NC(=O)NC[C@@H]2C[N@H+](C)CCN2C)c1 ZINC000266597889 654886467 /nfs/dbraw/zinc/88/64/67/654886467.db2.gz BSUCYDKNAQSAMU-OAHLLOKOSA-N 1 0 399.333 2.604 20 0 GFADRO C[N@H+](CC(=O)N1CCO[C@H](c2ccccc2Br)C1)[C@@H]1CCSC1 ZINC000130290197 654886958 /nfs/dbraw/zinc/88/69/58/654886958.db2.gz MFERQAGKDQKWDA-CJNGLKHVSA-N 1 0 399.354 2.786 20 0 GFADRO CCS(=O)(=O)c1ccc(Cl)c(C(=O)NC2CCC(C[NH+](C)C)CC2)c1 ZINC000130370982 654887636 /nfs/dbraw/zinc/88/76/36/654887636.db2.gz UYUBMRCRDCYENK-UHFFFAOYSA-N 1 0 386.945 2.984 20 0 GFADRO O=C(C[NH2+]Cc1cc(Br)c2c(c1)OCCCO2)NCc1ccco1 ZINC000065889991 654889796 /nfs/dbraw/zinc/88/97/96/654889796.db2.gz ZCJWIXGUBGZWGJ-UHFFFAOYSA-N 1 0 395.253 2.609 20 0 GFADRO COCC[N@H+]1[C@H](C)CN(Cc2nnc(-c3ccc(Br)o3)o2)C[C@@H]1C ZINC000130564372 654890107 /nfs/dbraw/zinc/89/01/07/654890107.db2.gz KCMHFQCTWUCORM-TXEJJXNPSA-N 1 0 399.289 2.633 20 0 GFADRO CCC[N@H+](CCCC(=O)NC(N)=O)CC(=O)Nc1cc(Cl)ccc1Cl ZINC000065949446 654891242 /nfs/dbraw/zinc/89/12/42/654891242.db2.gz HWQFXEDVSOLIOA-UHFFFAOYSA-N 1 0 389.283 2.619 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)C[N@@H+](C)CC(C)C ZINC000065962215 654891517 /nfs/dbraw/zinc/89/15/17/654891517.db2.gz ANJYQRJYIJDYSH-UHFFFAOYSA-N 1 0 384.318 2.742 20 0 GFADRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(Br)nc2)[C@H](C)C1 ZINC000266882511 654897359 /nfs/dbraw/zinc/89/73/59/654897359.db2.gz PGPLZKNYMYLREO-UKRRQHHQSA-N 1 0 384.318 2.711 20 0 GFADRO CC(=O)N(c1nn(CN2CC[C@H](C[NH+]3CCCC3)C2)c(=S)s1)C1CC1 ZINC000131309056 654901124 /nfs/dbraw/zinc/90/11/24/654901124.db2.gz OGNJVCMSCUYWND-CQSZACIVSA-N 1 0 381.571 2.565 20 0 GFADRO O[C@H](C[NH2+][C@@H]1CCCSC1)COc1ccc(I)cc1 ZINC000131363553 654903721 /nfs/dbraw/zinc/90/37/21/654903721.db2.gz WUEGCCLAJYCJSR-CHWSQXEVSA-N 1 0 393.290 2.516 20 0 GFADRO C[NH+](C)[C@@]1(CNC(=O)Cc2cn3cc(Cl)cc(Cl)c3n2)CCSC1 ZINC000267066972 654908426 /nfs/dbraw/zinc/90/84/26/654908426.db2.gz CZSQDBBIHOFGCR-MRXNPFEDSA-N 1 0 387.336 2.737 20 0 GFADRO Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)[C@@H](C)N1CCSCC1 ZINC000131634908 654911720 /nfs/dbraw/zinc/91/17/20/654911720.db2.gz WBQJQRTWHBBUGA-MRXNPFEDSA-N 1 0 379.595 2.920 20 0 GFADRO C[NH+](C)[C@]1(CNC(=O)c2cc(Br)cnc2Cl)CCSC1 ZINC000267127839 654912382 /nfs/dbraw/zinc/91/23/82/654912382.db2.gz RBEILDKZEJOHGU-ZDUSSCGKSA-N 1 0 378.723 2.665 20 0 GFADRO O=C(c1cccc(I)c1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000066946010 654923273 /nfs/dbraw/zinc/92/32/73/654923273.db2.gz KLNIZZZDPJPGFH-OAHLLOKOSA-N 1 0 384.261 2.992 20 0 GFADRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)N(C)C[C@H](O)c1ccccc1Br ZINC000838426877 661043691 /nfs/dbraw/zinc/04/36/91/661043691.db2.gz IACFIPUCDILHHZ-PBHICJAKSA-N 1 0 398.345 2.998 20 0 GFADRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)Nc1cccc(Br)c1 ZINC000067398260 654937815 /nfs/dbraw/zinc/93/78/15/654937815.db2.gz GCFKBRCPEJWERL-QWHCGFSZSA-N 1 0 382.302 2.624 20 0 GFADRO CC(=O)NC[C@@H]1CCC[N@@H+](CC(=O)N(C)Cc2cc(Cl)cc(Cl)c2)C1 ZINC000067412857 654938743 /nfs/dbraw/zinc/93/87/43/654938743.db2.gz HQQVYRDHKYWWJY-AWEZNQCLSA-N 1 0 386.323 2.800 20 0 GFADRO CCO[C@@H](CC[NH+](C)C)CNC(=O)CSCC(=O)c1ccc(Cl)cc1 ZINC000267932136 654952802 /nfs/dbraw/zinc/95/28/02/654952802.db2.gz FVSOYDVUXOFEOI-INIZCTEOSA-N 1 0 386.945 2.729 20 0 GFADRO [NH3+][C@H]1C[C@@H](NCc2c(Br)cncc2Br)C12CCC2 ZINC000925679597 664673956 /nfs/dbraw/zinc/67/39/56/664673956.db2.gz KOFRTVAWYVPMQW-NWDGAFQWSA-N 1 0 375.108 2.966 20 0 GFADRO CC[NH+](CC)[C@H](CNC(=O)C(=O)Nc1sc(C)nc1C)c1ccsc1 ZINC000268115557 654959546 /nfs/dbraw/zinc/95/95/46/654959546.db2.gz HUPAUKLCDYOQHD-CQSZACIVSA-N 1 0 380.539 2.959 20 0 GFADRO CC[N@@H+]1CCC[C@H](CNS(=O)(=O)c2ccc(Br)cc2C)C1 ZINC000133298467 654959684 /nfs/dbraw/zinc/95/96/84/654959684.db2.gz ZBMMSXWXOUSBTI-CYBMUJFWSA-N 1 0 375.332 2.768 20 0 GFADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)Nc1ccc(C)c(Br)c1 ZINC000133323515 654960562 /nfs/dbraw/zinc/96/05/62/654960562.db2.gz DNMXQGHECBZNQA-CABCVRRESA-N 1 0 394.313 2.781 20 0 GFADRO C[C@H](NC(=O)C(=O)Nc1cc(Br)ccc1F)C(C)(C)C[NH+](C)C ZINC000133334357 654960779 /nfs/dbraw/zinc/96/07/79/654960779.db2.gz NPPZIPRIHOGOST-JTQLQIEISA-N 1 0 388.281 2.619 20 0 GFADRO Cc1cc(Br)ccc1S(=O)(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000133384652 654962690 /nfs/dbraw/zinc/96/26/90/654962690.db2.gz XJXQUEOHLRRJSD-GXTWGEPZSA-N 1 0 375.332 2.718 20 0 GFADRO CC[NH+]1CCN(CCCNC(=O)CCCc2ccccc2Br)CC1 ZINC000133392702 654962996 /nfs/dbraw/zinc/96/29/96/654962996.db2.gz FKPXNTQMSPTPON-UHFFFAOYSA-N 1 0 396.373 2.916 20 0 GFADRO COC(=O)c1ccc(S(=O)(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)cc1Cl ZINC000133711897 654971305 /nfs/dbraw/zinc/97/13/05/654971305.db2.gz STFYXASKRAQUOA-ZDUSSCGKSA-N 1 0 388.917 2.622 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)N(C)C[C@H](O)c2ccccc2Br)CC[N@@H+]1C ZINC000838490222 661047351 /nfs/dbraw/zinc/04/73/51/661047351.db2.gz BWDHYDDNOKJTCP-WWGRRREGSA-N 1 0 384.318 2.607 20 0 GFADRO CCOC(=O)CNC(=O)C1CC[NH+](Cc2cccc(Br)c2C)CC1 ZINC000133770830 654973625 /nfs/dbraw/zinc/97/36/25/654973625.db2.gz MWZPDKWNDQWUEF-UHFFFAOYSA-N 1 0 397.313 2.649 20 0 GFADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](C)Oc1cccc(Cl)c1Cl ZINC000069505019 654982529 /nfs/dbraw/zinc/98/25/29/654982529.db2.gz RDVGMWUBFCYHOX-CHWSQXEVSA-N 1 0 375.296 2.988 20 0 GFADRO O=C(COc1ccc(Cl)cc1Cl)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000069709957 654985379 /nfs/dbraw/zinc/98/53/79/654985379.db2.gz YEIFVKSPDVJJRW-AWEZNQCLSA-N 1 0 387.307 2.943 20 0 GFADRO O=C(Cc1ccc(F)c(Br)c1)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000069742061 654986011 /nfs/dbraw/zinc/98/60/11/654986011.db2.gz VDSJVCPEZITVFO-HNNXBMFYSA-N 1 0 399.304 2.702 20 0 GFADRO Cc1cc(Br)ccc1C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000069744815 654986052 /nfs/dbraw/zinc/98/60/52/654986052.db2.gz CEBKKVZQBGZEFM-OAHLLOKOSA-N 1 0 381.314 2.942 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCOc2c(Br)cccc21)C(=O)NCC(F)(F)F ZINC000268873110 654989648 /nfs/dbraw/zinc/98/96/48/654989648.db2.gz YIMLDWKNEROZJM-GZMMTYOYSA-N 1 0 381.192 2.929 20 0 GFADRO CCOC(=O)C1(NC(=O)c2csc(-c3cccs3)n2)CC[NH+](C)CC1 ZINC000134322048 654990799 /nfs/dbraw/zinc/99/07/99/654990799.db2.gz PJVJWRHROYGSIY-UHFFFAOYSA-N 1 0 379.507 2.629 20 0 GFADRO [NH3+]CC[C@H]1CCCCN1S(=O)(=O)c1ccc(Br)cc1Cl ZINC000070149284 654991990 /nfs/dbraw/zinc/99/19/90/654991990.db2.gz CLUJHCVBGVDUGL-LLVKDONJSA-N 1 0 381.723 2.995 20 0 GFADRO O=C(NCCC[NH+]1CCCC1)C(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000070801691 654995097 /nfs/dbraw/zinc/99/50/97/654995097.db2.gz BLNPEHNCVHAJFG-UHFFFAOYSA-N 1 0 377.794 2.899 20 0 GFADRO O=C(Nc1cccc(Br)c1)C1CCN(C(=O)[C@@H]2CCCC[NH2+]2)CC1 ZINC000269058785 654996336 /nfs/dbraw/zinc/99/63/36/654996336.db2.gz UEFLMAMAXQWGRL-INIZCTEOSA-N 1 0 394.313 2.768 20 0 GFADRO CC[NH+](CC)CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@@H]1CCC(=O)N1 ZINC000070905354 654996636 /nfs/dbraw/zinc/99/66/36/654996636.db2.gz WYQWGWVMXGYIKZ-INIZCTEOSA-N 1 0 386.323 2.942 20 0 GFADRO O=C(NC1CC[NH+](Cc2ccccn2)CC1)c1cccnc1Br ZINC000134628725 654998307 /nfs/dbraw/zinc/99/83/07/654998307.db2.gz QTBHJFCKFPHURN-UHFFFAOYSA-N 1 0 375.270 2.634 20 0 GFADRO O=C(Nc1cccc(Br)c1)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000269177019 655000682 /nfs/dbraw/zinc/00/06/82/655000682.db2.gz ISVHVZATMKQSGA-HZPDHXFCSA-N 1 0 382.302 2.948 20 0 GFADRO [NH3+]CCCOC1CCN(C(=O)C2=Cc3cc(Br)ccc3OC2)CC1 ZINC000269193862 655001179 /nfs/dbraw/zinc/00/11/79/655001179.db2.gz OTCGVTOAUUFGHW-UHFFFAOYSA-N 1 0 395.297 2.581 20 0 GFADRO O=C(c1cc(-c2ccc(Br)cc2)n[nH]1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000269198972 655001404 /nfs/dbraw/zinc/00/14/04/655001404.db2.gz VGCDBRYROWZGIT-KGLIPLIRSA-N 1 0 375.270 2.806 20 0 GFADRO O=C(/C=C/c1cc(Br)c2c(c1)OCCO2)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000269196324 655001445 /nfs/dbraw/zinc/00/14/45/655001445.db2.gz QQFPBYCRMVHCOI-FVEKBPEJSA-N 1 0 393.281 2.586 20 0 GFADRO Cc1ccc(-n2nc(Br)cc2C(=O)N2CC[C@@H]([NH3+])[C@@H](C)C2)cc1 ZINC000269207025 655001637 /nfs/dbraw/zinc/00/16/37/655001637.db2.gz MHZBALWVVQJSSG-GXTWGEPZSA-N 1 0 377.286 2.753 20 0 GFADRO C[C@@H](NC(=O)c1nn(-c2ccc(F)cc2)cc1Br)[C@H]1CCC[NH2+]C1 ZINC000269219049 655001942 /nfs/dbraw/zinc/00/19/42/655001942.db2.gz RQUWXZUHCIFOLA-NEPJUHHUSA-N 1 0 395.276 2.892 20 0 GFADRO C[C@@H](CNC(=O)NCCOc1ncc(Cl)cc1Cl)C[NH+]1CCCC1 ZINC000134817098 655004283 /nfs/dbraw/zinc/00/42/83/655004283.db2.gz FQKCTUFESKXZNJ-LBPRGKRZSA-N 1 0 375.300 2.798 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)NC2CC[NH+](C(C)C)CC2)c(Br)c1 ZINC000269343804 655006390 /nfs/dbraw/zinc/00/63/90/655006390.db2.gz WTGXVBFIQZEJOC-UHFFFAOYSA-N 1 0 396.329 2.993 20 0 GFADRO CNC(=O)NC(=O)[C@@H](C)[NH2+]CC1(c2cccc(Br)c2)CCCC1 ZINC000135124681 655010299 /nfs/dbraw/zinc/01/02/99/655010299.db2.gz CYDNOIRWTYYTFF-GFCCVEGCSA-N 1 0 382.302 2.695 20 0 GFADRO O=C1NCCN1[C@@H]1CCC[N@@H+](CC2=Cc3cc(Br)ccc3OC2)C1 ZINC000092189024 655012661 /nfs/dbraw/zinc/01/26/61/655012661.db2.gz WARIUXLDJNWVLJ-MRXNPFEDSA-N 1 0 392.297 2.715 20 0 GFADRO COc1sc(CN2CCC([N@H+](C)CCCO)CC2)cc1Br ZINC000093394809 655019367 /nfs/dbraw/zinc/01/93/67/655019367.db2.gz HUDZLUMJPNHYOJ-UHFFFAOYSA-N 1 0 377.348 2.798 20 0 GFADRO C[N@@H+]1CCC[C@@H](CCNC(=O)NC[C@H](O)c2ccccc2Br)C1 ZINC000838768901 661056469 /nfs/dbraw/zinc/05/64/69/661056469.db2.gz SAEAINAYTZBUSH-BBRMVZONSA-N 1 0 384.318 2.514 20 0 GFADRO C[N@@H+]1CCC[C@@H](CCNC(=O)NC[C@@H](O)c2ccccc2Br)C1 ZINC000838768910 661056508 /nfs/dbraw/zinc/05/65/08/661056508.db2.gz SAEAINAYTZBUSH-XJKSGUPXSA-N 1 0 384.318 2.514 20 0 GFADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2cccnc2Br)[C@H](C)C1 ZINC000135600415 655022193 /nfs/dbraw/zinc/02/21/93/655022193.db2.gz MQKQWLGBTCBVHN-HIFRSBDPSA-N 1 0 384.318 2.711 20 0 GFADRO C[C@H]1CCC[N@H+](CCCCNC(=O)c2cnn3cc(Br)cnc23)C1 ZINC000093971252 655025699 /nfs/dbraw/zinc/02/56/99/655025699.db2.gz IMVDXERZEANKTG-ZDUSSCGKSA-N 1 0 394.317 2.734 20 0 GFADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)c3ccc(C)cc3Br)C2)CC1 ZINC000269925540 655027877 /nfs/dbraw/zinc/02/78/77/655027877.db2.gz CHVZSBBCAVJARD-OAHLLOKOSA-N 1 0 380.330 2.610 20 0 GFADRO C[NH+](C)C[C@@H]1CCCN1C(=O)c1cn(-c2ccc(Br)cc2)cn1 ZINC000270041506 655032202 /nfs/dbraw/zinc/03/22/02/655032202.db2.gz JXKSBGFQHGYSMC-HNNXBMFYSA-N 1 0 377.286 2.801 20 0 GFADRO Cc1ccc(CN(CC[NH+](C)C)S(=O)(=O)c2ccc(F)c(F)c2F)o1 ZINC000097002716 655033371 /nfs/dbraw/zinc/03/33/71/655033371.db2.gz MPSMWRQYRBQCOG-UHFFFAOYSA-N 1 0 376.400 2.758 20 0 GFADRO O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)c1cc(F)cc(Br)c1 ZINC000136884578 655036530 /nfs/dbraw/zinc/03/65/30/655036530.db2.gz IPZCOUXANKBOGT-LBPRGKRZSA-N 1 0 385.277 2.819 20 0 GFADRO COc1c(Br)cc(Cl)cc1S(=O)(=O)NC1CCC([NH3+])CC1 ZINC000098001999 655038605 /nfs/dbraw/zinc/03/86/05/655038605.db2.gz NLRFVMIKSSLXGD-UHFFFAOYSA-N 1 0 397.722 2.659 20 0 GFADRO CS(=O)(=O)N(CC(F)(F)F)C1CC[NH+](CCc2ccccc2F)CC1 ZINC000137603156 655041223 /nfs/dbraw/zinc/04/12/23/655041223.db2.gz LPMNUXFQCBIHKR-UHFFFAOYSA-N 1 0 382.423 2.657 20 0 GFADRO C[C@H](Oc1cccc(Br)c1)C(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000270349542 655041870 /nfs/dbraw/zinc/04/18/70/655041870.db2.gz FRRPEGLAZJYMEM-AWEZNQCLSA-N 1 0 399.329 2.522 20 0 GFADRO C[C@H](Oc1ccccc1Br)C(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000270391892 655042998 /nfs/dbraw/zinc/04/29/98/655042998.db2.gz SMWZFIGEGQFJQO-AWEZNQCLSA-N 1 0 399.329 2.522 20 0 GFADRO C[C@H](Cn1cccn1)[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000138842527 655043746 /nfs/dbraw/zinc/04/37/46/655043746.db2.gz HSUWAADBEYLDKV-CQSZACIVSA-N 1 0 379.302 2.661 20 0 GFADRO Cc1ccc(-n2cnnc2SCC(=O)NC[C@H]2CCC[N@H+]2C)cc1Cl ZINC000139160993 655044029 /nfs/dbraw/zinc/04/40/29/655044029.db2.gz SCICFGQTUBZVAI-CQSZACIVSA-N 1 0 379.917 2.532 20 0 GFADRO O=S(=O)(Cc1ccc(Cl)nc1)NCC1([NH+]2CCSCC2)CCCC1 ZINC000101571694 655044220 /nfs/dbraw/zinc/04/42/20/655044220.db2.gz JUYPGPDDAJOJRA-UHFFFAOYSA-N 1 0 389.974 2.516 20 0 GFADRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)c1cncc(I)c1 ZINC000270470830 655045754 /nfs/dbraw/zinc/04/57/54/655045754.db2.gz VIBCUEVCFAYDRB-AWEZNQCLSA-N 1 0 387.265 2.633 20 0 GFADRO C[C@H]([NH2+]C1CCCCCC1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000151517552 655052096 /nfs/dbraw/zinc/05/20/96/655052096.db2.gz WEMTZZYWQFFLNE-AWEZNQCLSA-N 1 0 388.555 2.786 20 0 GFADRO Cc1nn(C)c(Cl)c1S(=O)(=O)N(CC[NH+]1CCCC1)c1ccccc1 ZINC000151671754 655053157 /nfs/dbraw/zinc/05/31/57/655053157.db2.gz CCWHRVVFVNZILO-UHFFFAOYSA-N 1 0 382.917 2.673 20 0 GFADRO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)NCCC[NH2+]C(C)C ZINC000151804440 655054692 /nfs/dbraw/zinc/05/46/92/655054692.db2.gz WWZOXGVWWOXNEV-UHFFFAOYSA-N 1 0 381.270 2.982 20 0 GFADRO C[C@@H]1C[N@@H+](CC2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)C[C@H](C)O1 ZINC000102661355 655057596 /nfs/dbraw/zinc/05/75/96/655057596.db2.gz KOEFXUYLHMCPQE-GASCZTMLSA-N 1 0 386.945 2.850 20 0 GFADRO C[N@@H+]1CCN(C(=O)Cc2csc(NC(=O)c3cccs3)n2)C(C)(C)C1 ZINC000270906384 655059817 /nfs/dbraw/zinc/05/98/17/655059817.db2.gz KTENEBCXBXQIIT-UHFFFAOYSA-N 1 0 378.523 2.552 20 0 GFADRO CC(C)[NH+]1CCC(O)(CNC(=O)[C@@H](C)c2ccc(Br)cc2)CC1 ZINC000270935499 655060766 /nfs/dbraw/zinc/06/07/66/655060766.db2.gz IGCKSRBJYFDMCG-AWEZNQCLSA-N 1 0 383.330 2.904 20 0 GFADRO NC(=O)CCC1CC[NH+](C[C@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000271086248 655066018 /nfs/dbraw/zinc/06/60/18/655066018.db2.gz GKUBYBWOJVMBBN-AWEZNQCLSA-N 1 0 375.296 2.711 20 0 GFADRO COC(=O)c1nn(CN2CCC[C@H]([NH+]3CCCC3)CC2)c(C)c1Br ZINC000153450320 655067080 /nfs/dbraw/zinc/06/70/80/655067080.db2.gz MIFYEJBUOVRXNY-AWEZNQCLSA-N 1 0 399.333 2.648 20 0 GFADRO NC(=O)[C@@H]([NH2+][C@H]1CCN(c2ccc(Br)cc2)C1)c1ccc(F)cc1 ZINC000103165057 655068605 /nfs/dbraw/zinc/06/86/05/655068605.db2.gz JBUUKFGFJWULLX-RDJZCZTQSA-N 1 0 392.272 2.983 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)c1nccn2c(Br)cnc12)c1cccs1 ZINC000271197207 655069889 /nfs/dbraw/zinc/06/98/89/655069889.db2.gz HZHGEPVCPWDFQC-JTQLQIEISA-N 1 0 394.298 2.586 20 0 GFADRO C[NH2+]CCC1CCN(C(=O)[C@@H](C)N2C(=S)N=NC2c2cccs2)CC1 ZINC000271242165 655072413 /nfs/dbraw/zinc/07/24/13/655072413.db2.gz ZBOAQTJSIIMTLF-GFCCVEGCSA-N 1 0 379.555 2.704 20 0 GFADRO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(Cc2ccc(F)cc2Br)CC1 ZINC000104070054 655078317 /nfs/dbraw/zinc/07/83/17/655078317.db2.gz ABFHQAXHKFOONU-MRXNPFEDSA-N 1 0 384.293 2.502 20 0 GFADRO CC[C@H]([NH2+]CCCN(C)S(=O)(=O)CC)c1cc(Br)ccc1O ZINC000155165767 655081680 /nfs/dbraw/zinc/08/16/80/655081680.db2.gz UZROQKSUQVWFOF-AWEZNQCLSA-N 1 0 393.347 2.867 20 0 GFADRO COc1cc[nH+]c(N2CCN(C(=O)c3ccc(Br)cc3)CC2)c1 ZINC000104515207 655081757 /nfs/dbraw/zinc/08/17/57/655081757.db2.gz BCOKBMQAYMPIHC-UHFFFAOYSA-N 1 0 376.254 2.815 20 0 GFADRO CCCN(CC[NH+](C)C)C(=O)Cc1csc(NC(=O)c2cccs2)n1 ZINC000104530427 655081993 /nfs/dbraw/zinc/08/19/93/655081993.db2.gz ONIRSKJCZMGHNV-UHFFFAOYSA-N 1 0 380.539 2.800 20 0 GFADRO COc1cc([C@H](C)[NH2+][C@H]2CCO[C@@]3(CCSC3)C2)ccc1S(C)(=O)=O ZINC000271485066 655082888 /nfs/dbraw/zinc/08/28/88/655082888.db2.gz JNKWZEKVYQGSEK-YEWWUXTCSA-N 1 0 385.551 2.804 20 0 GFADRO C[N@@H+](Cc1cc(=O)[nH]c(C2CC2)n1)C[C@@H](O)c1ccccc1Br ZINC000839029756 661069301 /nfs/dbraw/zinc/06/93/01/661069301.db2.gz PXELXGYHPLAGJN-OAHLLOKOSA-N 1 0 378.270 2.988 20 0 GFADRO C[NH+](C)[C@H]1CCCN(C(=O)C2CCN(C(=O)c3ccc(Cl)s3)CC2)C1 ZINC000105326474 655090761 /nfs/dbraw/zinc/09/07/61/655090761.db2.gz LXCFPAPCFKBEMP-AWEZNQCLSA-N 1 0 383.945 2.806 20 0 GFADRO CC(=O)N[C@H](CC(=O)N1CCC[C@@H]([NH+](C)C)C1)c1ccc(Br)cc1 ZINC000105325200 655090779 /nfs/dbraw/zinc/09/07/79/655090779.db2.gz HRDVFGTZBZMVQU-IAGOWNOFSA-N 1 0 396.329 2.569 20 0 GFADRO CC[C@@H]([NH2+][C@@H](CC)C(=O)N1CCOCC1)c1cc(Br)ccc1O ZINC000156281024 655090950 /nfs/dbraw/zinc/09/09/50/655090950.db2.gz WARHRBSEEXXKLQ-CABCVRRESA-N 1 0 385.302 2.833 20 0 GFADRO O=c1ccn(C[NH+]2CCN(CC3CC3)CC2)c2c(Br)cccc12 ZINC000105604456 655095870 /nfs/dbraw/zinc/09/58/70/655095870.db2.gz PJZNESCSKFJLPO-UHFFFAOYSA-N 1 0 376.298 2.749 20 0 GFADRO COCC[N@@H+]1CCCN(C(=O)C[C@@H](O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000271846088 655096850 /nfs/dbraw/zinc/09/68/50/655096850.db2.gz VBSICFPHIMAZLI-MRXNPFEDSA-N 1 0 375.296 2.598 20 0 GFADRO CCCCN(C(=O)C[NH2+][C@H](C)c1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000271986647 655100219 /nfs/dbraw/zinc/10/02/19/655100219.db2.gz CPOQRWYAZSTRQC-RHSMWYFYSA-N 1 0 386.945 2.806 20 0 GFADRO C[N@H+]1CC=C(CNC(=O)c2nn(-c3ccc(F)cc3)cc2Br)CC1 ZINC000272008248 655100636 /nfs/dbraw/zinc/10/06/36/655100636.db2.gz STUIEFCTBFBCSO-UHFFFAOYSA-N 1 0 393.260 2.766 20 0 GFADRO COc1cc([C@@H](C)NC[C@@H]2CCC[N@H+](C)C2)ccc1S(=O)(=O)C(F)F ZINC000158193682 655105571 /nfs/dbraw/zinc/10/55/71/655105571.db2.gz YKHZRBQWCYWDPI-OLZOCXBDSA-N 1 0 376.469 2.684 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)[C@@H]1CSCN1C(=O)C1CCCC1)c1cccs1 ZINC000106355189 655106898 /nfs/dbraw/zinc/10/68/98/655106898.db2.gz BILWWLCUKSGCMJ-CABCVRRESA-N 1 0 381.567 2.559 20 0 GFADRO CCCC[NH+]1CCC(NC(=O)NNC(=O)c2ccccc2Br)CC1 ZINC000158541720 655107338 /nfs/dbraw/zinc/10/73/38/655107338.db2.gz DAWBALMWKVGIBZ-UHFFFAOYSA-N 1 0 397.317 2.658 20 0 GFADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)CCc3ccccc3Br)C2)CC1 ZINC000106799658 655111468 /nfs/dbraw/zinc/11/14/68/655111468.db2.gz HTIPPAJOEMIEIQ-QGZVFWFLSA-N 1 0 394.357 2.620 20 0 GFADRO CC[N@@H+]1CCCN(C(=O)c2cnn(-c3cccc(Br)c3)c2)CC1 ZINC000106927672 655115098 /nfs/dbraw/zinc/11/50/98/655115098.db2.gz YQCUZCIAQFUWJX-UHFFFAOYSA-N 1 0 377.286 2.803 20 0 GFADRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(Br)c(O)c(OC)c2)[C@]12CCCO2 ZINC000272649316 655118116 /nfs/dbraw/zinc/11/81/16/655118116.db2.gz FAGQHIWLXDBHAX-BFYDXBDKSA-N 1 0 386.286 2.980 20 0 GFADRO CN1CC[NH+](CCCCNC(=O)CCc2cc(Br)cs2)CC1 ZINC000107218794 655118482 /nfs/dbraw/zinc/11/84/82/655118482.db2.gz HAYCLUBOGZNKHY-UHFFFAOYSA-N 1 0 388.375 2.587 20 0 GFADRO CC(C)OCC[NH+]1CCC(NC(=O)Nc2ccncc2Br)CC1 ZINC000272703314 655119507 /nfs/dbraw/zinc/11/95/07/655119507.db2.gz VEANQFVGIPUVIF-UHFFFAOYSA-N 1 0 385.306 2.855 20 0 GFADRO CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C1 ZINC000107889993 655125993 /nfs/dbraw/zinc/12/59/93/655125993.db2.gz OZPAAYIICRNJOM-OCCSQVGLSA-N 1 0 384.307 2.804 20 0 GFADRO O=C(NC[C@@H]1CC[NH2+]C1)c1cccnc1Oc1cccc(Br)c1 ZINC000272972385 655126937 /nfs/dbraw/zinc/12/69/37/655126937.db2.gz BVISMIRZKYBAPT-GFCCVEGCSA-N 1 0 376.254 2.976 20 0 GFADRO COCCN1CC[C@@H]([NH2+]C2CCN(Cc3ccc(Br)cc3)CC2)C1 ZINC000273075644 655129655 /nfs/dbraw/zinc/12/96/55/655129655.db2.gz KBTBIMKUVRFECI-LJQANCHMSA-N 1 0 396.373 2.724 20 0 GFADRO O=C(CN1CCC[C@@H]([NH+]2CCCCC2)C1)Nc1ccc(Br)cn1 ZINC000108380905 655131767 /nfs/dbraw/zinc/13/17/67/655131767.db2.gz BQUUJZQKTUDULY-OAHLLOKOSA-N 1 0 381.318 2.733 20 0 GFADRO O=C(Nc1ccccc1I)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000108494853 655134435 /nfs/dbraw/zinc/13/44/35/655134435.db2.gz QDOOSSUEMGUAIP-GFCCVEGCSA-N 1 0 385.249 2.897 20 0 GFADRO Cc1nc(Cc2nn(CN3CC[C@H]4[C@H](CCC[N@H+]4C)C3)c(=S)o2)cs1 ZINC000164769562 655138247 /nfs/dbraw/zinc/13/82/47/655138247.db2.gz JHJCJXSPWFBJLA-HIFRSBDPSA-N 1 0 379.555 2.935 20 0 GFADRO Cc1c(C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)cnn1-c1ccc(Br)cc1 ZINC000109069491 655141687 /nfs/dbraw/zinc/14/16/87/655141687.db2.gz DQPCXVMFCMRWTH-AWEZNQCLSA-N 1 0 389.297 2.910 20 0 GFADRO C[C@@H]1CN(CCCC[NH2+]Cc2c(Cl)cccc2S(C)(=O)=O)C[C@H](C)O1 ZINC000273480494 655144940 /nfs/dbraw/zinc/14/49/40/655144940.db2.gz SNQCUQSLYGKDIF-GASCZTMLSA-N 1 0 388.961 2.723 20 0 GFADRO Cc1csc(=O)n1CCC(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000109564950 655148465 /nfs/dbraw/zinc/14/84/65/655148465.db2.gz PRRMOPOYICQHKP-HNNXBMFYSA-N 1 0 379.551 2.698 20 0 GFADRO C[C@@H](Oc1ccc(Cl)c(Cl)c1)C(=O)N(C)CCCN1CC[NH+](C)CC1 ZINC000110866447 655160712 /nfs/dbraw/zinc/16/07/12/655160712.db2.gz ZJKGBBLVRJARAB-CQSZACIVSA-N 1 0 388.339 2.857 20 0 GFADRO CCC[NH+]1CCC(CNC(=O)C(=O)Nc2cc(Cl)c(N)c(Cl)c2)CC1 ZINC000839485899 661086584 /nfs/dbraw/zinc/08/65/84/661086584.db2.gz DBLMDAFXIDUMIX-UHFFFAOYSA-N 1 0 387.311 2.752 20 0 GFADRO CS[C@@H]1CN(C[C@@H](O)c2ccccc2Br)C[C@@H]1[NH+]1CCCC1 ZINC000273920192 655164488 /nfs/dbraw/zinc/16/44/88/655164488.db2.gz BGBNTBSQHQGNGZ-GVDBMIGSSA-N 1 0 385.371 2.994 20 0 GFADRO CS[C@@H]1CN(CC(=O)Nc2cccc3c2N=S=N3)C[C@H]1[NH+]1CCCC1 ZINC000273977316 655167061 /nfs/dbraw/zinc/16/70/61/655167061.db2.gz HHFJUSBQUNGUGF-HUUCEWRRSA-N 1 0 377.539 2.863 20 0 GFADRO Cn1cc(S(=O)(=O)NCC[NH2+]C(C)(C)c2ccc(Cl)c(Cl)c2)cn1 ZINC000173279974 655167142 /nfs/dbraw/zinc/16/71/42/655167142.db2.gz WUZJOWKLQJYEJI-UHFFFAOYSA-N 1 0 391.324 2.530 20 0 GFADRO NS(=O)(=O)c1ccc(OCC[N@@H+]2CC[C@@H](c3ccc(Cl)cc3)C2)cc1 ZINC000111306049 655168346 /nfs/dbraw/zinc/16/83/46/655168346.db2.gz WTHIWIKQHCPZSX-OAHLLOKOSA-N 1 0 380.897 2.856 20 0 GFADRO Cn1ncc(C(=O)NC2CC[NH+](CCc3ccccc3)CC2)c1Br ZINC000274127963 655174487 /nfs/dbraw/zinc/17/44/87/655174487.db2.gz CANSMVTVFSXMCJ-UHFFFAOYSA-N 1 0 391.313 2.620 20 0 GFADRO O=Cc1ccc(OCC(=O)NC2CC[NH+](CC3CC3)CC2)c(Br)c1 ZINC000173637881 655175722 /nfs/dbraw/zinc/17/57/22/655175722.db2.gz UANFJSQVYVXUDO-UHFFFAOYSA-N 1 0 395.297 2.631 20 0 GFADRO O=C(NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)c1c[nH]c(=O)c(Br)c1 ZINC000173764799 655180424 /nfs/dbraw/zinc/18/04/24/655180424.db2.gz PSRNEZNSQWDJIC-HNNXBMFYSA-N 1 0 390.281 2.532 20 0 GFADRO Fc1ccc(-n2cc(C[NH2+]CCc3cn4c(n3)SCC4)nn2)cc1Cl ZINC000274237777 655181152 /nfs/dbraw/zinc/18/11/52/655181152.db2.gz GQTUHRNZBNOQLP-UHFFFAOYSA-N 1 0 378.864 2.694 20 0 GFADRO O=S(=O)(N[C@@H]1CC[N@H+](CC2CCCC2)C1)c1ccccc1Br ZINC000173867617 655182897 /nfs/dbraw/zinc/18/28/97/655182897.db2.gz FKFKRKJKZBTITC-CQSZACIVSA-N 1 0 387.343 2.992 20 0 GFADRO CC[N@@H+]1CCCN(C(=O)NCc2cn3cc(Br)cc(C)c3n2)CC1 ZINC000274271693 655182931 /nfs/dbraw/zinc/18/29/31/655182931.db2.gz XCNWTMLHSAMFGV-UHFFFAOYSA-N 1 0 394.317 2.642 20 0 GFADRO CC[NH+](CC)C[C@@H]1CCN(S(=O)(=O)c2cc(Br)ccc2F)C1 ZINC000173922488 655185770 /nfs/dbraw/zinc/18/57/70/655185770.db2.gz LUFVAMMWUJFJKU-LBPRGKRZSA-N 1 0 393.322 2.941 20 0 GFADRO C[C@@H](CN1CCOCC1)[NH2+]Cc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000112371947 655190232 /nfs/dbraw/zinc/19/02/32/655190232.db2.gz BPWWOJKIEJDQAM-ZDUSSCGKSA-N 1 0 379.302 2.650 20 0 GFADRO O=C(NCC[NH2+]Cc1nc(-c2ccc(Br)cc2)c[nH]1)c1ccco1 ZINC000112371385 655190261 /nfs/dbraw/zinc/19/02/61/655190261.db2.gz IVZIAKJOMGVHJM-UHFFFAOYSA-N 1 0 389.253 2.952 20 0 GFADRO COc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2ncccn2)cc1Br ZINC000112518366 655192702 /nfs/dbraw/zinc/19/27/02/655192702.db2.gz KWTRLUZQOCBQTI-QWRGUYRKSA-N 1 0 379.258 2.926 20 0 GFADRO Cc1nc2n(n1)C[C@H]([NH2+][C@@H](C)C(=O)Nc1ccc(C)cc1Br)CC2 ZINC000112549371 655193315 /nfs/dbraw/zinc/19/33/15/655193315.db2.gz VMJHUORMHCGJMN-WCQYABFASA-N 1 0 392.301 2.589 20 0 GFADRO O=C(Nc1ccc(Br)cn1)[C@@H]1CCC[N@H+](CC2CCOCC2)C1 ZINC000112697069 655195347 /nfs/dbraw/zinc/19/53/47/655195347.db2.gz LTLXKCANLVULDM-CQSZACIVSA-N 1 0 382.302 2.921 20 0 GFADRO CCC(C)(C)[NH2+][C@@H](C)C(=O)N(C)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000274805558 655202709 /nfs/dbraw/zinc/20/27/09/655202709.db2.gz NWRIJVBSDIUWKT-SMDDNHRTSA-N 1 0 384.318 2.601 20 0 GFADRO CCC(C)(C)[NH2+][C@@H](C)C(=O)N(C)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000274805556 655202731 /nfs/dbraw/zinc/20/27/31/655202731.db2.gz NWRIJVBSDIUWKT-FZMZJTMJSA-N 1 0 384.318 2.601 20 0 GFADRO CN(C)c1ncc(Br)cc1C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000113152595 655204415 /nfs/dbraw/zinc/20/44/15/655204415.db2.gz VRTUPZFEJDWRGP-UHFFFAOYSA-N 1 0 383.334 2.903 20 0 GFADRO Ic1ccc2ncnc(N3CC[C@@H]([NH+]4CCCC4)C3)c2c1 ZINC000174723236 655206559 /nfs/dbraw/zinc/20/65/59/655206559.db2.gz UJQYOVPGUOSOJT-CYBMUJFWSA-N 1 0 394.260 2.909 20 0 GFADRO C[NH+](C)C[C@H]1CCN(C(=O)C2CCN(C(=O)c3ccc(Cl)s3)CC2)C1 ZINC000113453736 655210641 /nfs/dbraw/zinc/21/06/41/655210641.db2.gz BVHBHLRHVGXWOU-CYBMUJFWSA-N 1 0 383.945 2.664 20 0 GFADRO C[NH+](C)C[C@@H]1CCN(C(=O)C2CCN(C(=O)c3ccc(Cl)s3)CC2)C1 ZINC000113453734 655210679 /nfs/dbraw/zinc/21/06/79/655210679.db2.gz BVHBHLRHVGXWOU-ZDUSSCGKSA-N 1 0 383.945 2.664 20 0 GFADRO COC(=O)CC[N@H+](CC(=O)N[C@@H](C)c1ccc(Br)cc1)C(C)C ZINC000113506573 655211516 /nfs/dbraw/zinc/21/15/16/655211516.db2.gz YHHHDYBFTJRXBI-ZDUSSCGKSA-N 1 0 385.302 2.900 20 0 GFADRO CN(Cc1ccccc1Br)C(=O)NCC1([NH+](C)C)CCOCC1 ZINC000114037165 655217369 /nfs/dbraw/zinc/21/73/69/655217369.db2.gz UOPJGDWNYJZQSJ-UHFFFAOYSA-N 1 0 384.318 2.701 20 0 GFADRO Cc1cc(OC(F)F)c(C(=O)NC[C@H](C(C)C)N2CC[NH+](C)CC2)s1 ZINC000114378240 655223089 /nfs/dbraw/zinc/22/30/89/655223089.db2.gz WBBMVUPBMLNNSD-CYBMUJFWSA-N 1 0 375.485 2.660 20 0 GFADRO [NH3+]C[C@@H](NS(=O)(=O)c1c(Cl)cc(Br)cc1Cl)C1CC1 ZINC000114908159 655230284 /nfs/dbraw/zinc/23/02/84/655230284.db2.gz CIHOLUKXDZGEQR-SNVBAGLBSA-N 1 0 388.114 2.772 20 0 GFADRO C[C@H]([NH2+]C[C@@H]1CCn2ncc(C(N)=O)c2C1)c1ccccc1Br ZINC000275365955 655232165 /nfs/dbraw/zinc/23/21/65/655232165.db2.gz BNMZTSISQKMPEA-NWDGAFQWSA-N 1 0 377.286 2.658 20 0 GFADRO CC(C)[NH+]1CCN(c2ccc(C(=O)NC[C@@H]3CSCCS3)cc2)CC1 ZINC000176062225 655233026 /nfs/dbraw/zinc/23/30/26/655233026.db2.gz PNXBDVFABRQSFX-GOSISDBHSA-N 1 0 379.595 2.795 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)c1cc(I)c[nH]1)Cc1ccccc1 ZINC000115321807 655234974 /nfs/dbraw/zinc/23/49/74/655234974.db2.gz OUUYXJMPVNLCCS-CQSZACIVSA-N 1 0 397.260 2.522 20 0 GFADRO COc1cc(C(=O)N(C)C[C@H]2CCC[N@H+](C)C2)cc(OC)c1Br ZINC000115442331 655237379 /nfs/dbraw/zinc/23/73/79/655237379.db2.gz UEFNWGZHQUVMFH-LBPRGKRZSA-N 1 0 385.302 2.880 20 0 GFADRO CN(Cc1cccc(Br)c1)C(=O)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000275599083 655243582 /nfs/dbraw/zinc/24/35/82/655243582.db2.gz KTLZTMJJQDGJAY-HNNXBMFYSA-N 1 0 377.286 2.842 20 0 GFADRO CN(Cc1cc(Br)cs1)C(=O)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000275621535 655244241 /nfs/dbraw/zinc/24/42/41/655244241.db2.gz MIHRCPJNFADHON-GFCCVEGCSA-N 1 0 383.315 2.904 20 0 GFADRO CC[NH+]1CCN([C@H]2CCN(C(=O)/C=C/c3csc(Br)c3)C2)CC1 ZINC000116194388 655245903 /nfs/dbraw/zinc/24/59/03/655245903.db2.gz MORRZQHDZFOIKR-BWPKMQGJSA-N 1 0 398.370 2.762 20 0 GFADRO C[C@H](NC(=O)C(=O)Nc1nc(-c2cccs2)cs1)C1=CC[N@H+](C)CC1 ZINC000275955653 655256525 /nfs/dbraw/zinc/25/65/25/655256525.db2.gz BXMQWQHAEKMLPU-NSHDSACASA-N 1 0 376.507 2.577 20 0 GFADRO NC(=O)[C@H]1CCCN1CCC[NH2+][C@@H](c1ccc(Br)s1)C1CC1 ZINC000275973711 655257114 /nfs/dbraw/zinc/25/71/14/655257114.db2.gz XHYDXHNNEWWELL-IUODEOHRSA-N 1 0 386.359 2.891 20 0 GFADRO Cc1cc(N2CCC([NH2+]Cc3cc4c(cc3Br)OCO4)CC2)n[nH]1 ZINC000276084321 655261445 /nfs/dbraw/zinc/26/14/45/655261445.db2.gz UTVMMPDAKFVOOK-UHFFFAOYSA-N 1 0 393.285 2.968 20 0 GFADRO CC[C@@H](Cc1cccc(Br)c1)C(=O)NCCCN1CC[NH+](C)CC1 ZINC000117232865 655262001 /nfs/dbraw/zinc/26/20/01/655262001.db2.gz TZWMMAOYEKEAEK-KRWDZBQOSA-N 1 0 396.373 2.772 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)c1nn(-c2ccc(F)cc2)cc1Br)C1CC1 ZINC000117760474 655267619 /nfs/dbraw/zinc/26/76/19/655267619.db2.gz GEGBTJBGHZXBJU-OAHLLOKOSA-N 1 0 395.276 2.844 20 0 GFADRO O=S(=O)(C[C@@H](O)C[NH2+]CCCCCOc1ccccc1)c1cccs1 ZINC000276227230 655268092 /nfs/dbraw/zinc/26/80/92/655268092.db2.gz MSODEVRWRVXRAV-INIZCTEOSA-N 1 0 383.535 2.722 20 0 GFADRO Cc1ccc(I)c(C(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)c1 ZINC000177098853 655268537 /nfs/dbraw/zinc/26/85/37/655268537.db2.gz JCUHJRUFHNHNNQ-NWDGAFQWSA-N 1 0 384.261 2.955 20 0 GFADRO CCc1nc(C)c([C@H](C)[N@H+](C)CCC(=O)NC(=O)NCC(F)(F)F)s1 ZINC000177126632 655269572 /nfs/dbraw/zinc/26/95/72/655269572.db2.gz AZHCKQLKAPVCAM-JTQLQIEISA-N 1 0 380.436 2.785 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)C[C@H]2Sc3ccc(Cl)cc3NC2=O)C[N@@H+]1C1CC1 ZINC000177135895 655269830 /nfs/dbraw/zinc/26/98/30/655269830.db2.gz LSYCUOWVERUYMC-NSODJVPESA-N 1 0 379.913 2.884 20 0 GFADRO C[NH+](C)C1CCN(CCNC(=O)c2ccc(C3SCCS3)cc2)CC1 ZINC000177143887 655270041 /nfs/dbraw/zinc/27/00/41/655270041.db2.gz KXTOYVTZOCOMFE-UHFFFAOYSA-N 1 0 379.595 2.921 20 0 GFADRO CCC(CC)[C@@H](CNC(=O)C(=O)Nc1ccccc1Br)[NH+](C)C ZINC000118097998 655271617 /nfs/dbraw/zinc/27/16/17/655271617.db2.gz DTOBYAHNSCRFTL-OAHLLOKOSA-N 1 0 384.318 2.870 20 0 GFADRO CC(C)[N@H+](C)CCCNC(=O)C(=O)Nc1cc(Br)c(F)cc1F ZINC000276381139 655273283 /nfs/dbraw/zinc/27/32/83/655273283.db2.gz IDFLEBAHHSBRAH-UHFFFAOYSA-N 1 0 392.244 2.512 20 0 GFADRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)COc2ccc(C=O)cc2Br)C1 ZINC000177484769 655277271 /nfs/dbraw/zinc/27/72/71/655277271.db2.gz NQFITAHILKJPMC-KBPBESRZSA-N 1 0 383.286 2.629 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)c2ccc(S(=O)(=O)C(F)(F)F)cc2)C1 ZINC000177519101 655279152 /nfs/dbraw/zinc/27/91/52/655279152.db2.gz GDNPTCAVPUWUFF-QWHCGFSZSA-N 1 0 378.416 2.583 20 0 GFADRO C[C@H](Oc1cccc(Cl)c1Cl)C(=O)NCCC[NH+]1CCC(O)CC1 ZINC000118722589 655281168 /nfs/dbraw/zinc/28/11/68/655281168.db2.gz FJRXDPZNXSUNTL-LBPRGKRZSA-N 1 0 375.296 2.724 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)CCNC(=O)c2ccc(Br)cc2)C1 ZINC000177574810 655281966 /nfs/dbraw/zinc/28/19/66/655281966.db2.gz AYJDJSKTHQTQHJ-HZPDHXFCSA-N 1 0 396.329 2.558 20 0 GFADRO C[C@@H](CNC(=O)C(=O)Nc1ccccc1Br)C[NH+]1CCCCC1 ZINC000118895887 655283115 /nfs/dbraw/zinc/28/31/15/655283115.db2.gz HLEQIGMNWRGFKL-ZDUSSCGKSA-N 1 0 382.302 2.626 20 0 GFADRO CNC(=O)CC[NH+]1CCC(c2nc(-c3ccccc3Br)no2)CC1 ZINC000276793442 655287862 /nfs/dbraw/zinc/28/78/62/655287862.db2.gz BWIFQLQHDOYEDL-UHFFFAOYSA-N 1 0 393.285 2.815 20 0 GFADRO CCCC[NH+]1CCC(NC(=O)Nc2cc(Br)cn(C)c2=O)CC1 ZINC000177968138 655293215 /nfs/dbraw/zinc/29/32/15/655293215.db2.gz BPEIUJORTFZDIQ-UHFFFAOYSA-N 1 0 385.306 2.534 20 0 GFADRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1cc(Br)nn1C ZINC000276934301 655293940 /nfs/dbraw/zinc/29/39/40/655293940.db2.gz ACGOOQJMVWHNNY-ZFWWWQNUSA-N 1 0 391.313 2.823 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000178000387 655294524 /nfs/dbraw/zinc/29/45/24/655294524.db2.gz WRVKOCAAVQMBPH-KGLIPLIRSA-N 1 0 382.302 2.685 20 0 GFADRO CCC[NH+]1CCC(NC(=O)N[C@@H](CO)c2cccc(Br)c2)CC1 ZINC000119290452 655296877 /nfs/dbraw/zinc/29/68/77/655296877.db2.gz JKLLSTAILJUOSD-INIZCTEOSA-N 1 0 384.318 2.656 20 0 GFADRO CC(=O)N1CCN(C(=O)[C@@H](C)[NH2+][C@@H]2CCSc3ccc(Cl)cc32)CC1 ZINC000119401767 655302919 /nfs/dbraw/zinc/30/29/19/655302919.db2.gz NHEPTDLHABJVTP-MLGOLLRUSA-N 1 0 381.929 2.546 20 0 GFADRO C[C@@H](NC(=O)c1cc(Br)nn1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000277094058 655302957 /nfs/dbraw/zinc/30/29/57/655302957.db2.gz VWLIKTYLKDOXGR-HIFRSBDPSA-N 1 0 391.313 2.823 20 0 GFADRO CC[N@H+](CCOc1ccc(Br)cc1)C[C@H](C)CS(C)(=O)=O ZINC000119411357 655303254 /nfs/dbraw/zinc/30/32/54/655303254.db2.gz HSDBHUREFVBEED-ZDUSSCGKSA-N 1 0 378.332 2.831 20 0 GFADRO C[NH+](C)[C@H]1CCCN(C(=O)c2cc(F)ccc2I)CC1 ZINC000277106884 655303664 /nfs/dbraw/zinc/30/36/64/655303664.db2.gz DABIUGKMSWUWPT-LBPRGKRZSA-N 1 0 390.240 2.987 20 0 GFADRO COc1ccsc1S(=O)(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000119464051 655304738 /nfs/dbraw/zinc/30/47/38/655304738.db2.gz JNRURBYYYMDKDU-MRXNPFEDSA-N 1 0 380.535 2.600 20 0 GFADRO Cc1nn(Cc2cccc(Br)c2)c(C)c1C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000178553712 655304954 /nfs/dbraw/zinc/30/49/54/655304954.db2.gz RCVAEKRTIIFUHN-HNNXBMFYSA-N 1 0 391.313 2.732 20 0 GFADRO C[C@@H]([NH2+]CCC(=O)N1CCN(C)CC1)c1cc(Cl)ccc1OC(F)F ZINC000178673682 655307970 /nfs/dbraw/zinc/30/79/70/655307970.db2.gz CMOJTLGQWCLYOE-GFCCVEGCSA-N 1 0 375.847 2.756 20 0 GFADRO Cc1cccc(NC(=O)C(=O)N2CCC[C@H]([NH+](C)C)CC2)c1Br ZINC000277222767 655308512 /nfs/dbraw/zinc/30/85/12/655308512.db2.gz ZFCQEOYXAITBHS-ZDUSSCGKSA-N 1 0 382.302 2.639 20 0 GFADRO C[C@@H](C(=O)Nc1cccc(I)c1)[N@H+](C)C[C@@H]1CCOC1 ZINC000178757290 655309350 /nfs/dbraw/zinc/30/93/50/655309350.db2.gz HEBABMUCRXMRBJ-RYUDHWBXSA-N 1 0 388.249 2.587 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2cc(Br)ccc2C)[C@H](C)C1 ZINC000119712357 655312132 /nfs/dbraw/zinc/31/21/32/655312132.db2.gz ICVBENVCQGXCBC-CJNGLKHVSA-N 1 0 396.329 2.885 20 0 GFADRO O[C@H](COc1c(Cl)cccc1Cl)C[N@@H+]1CCC[C@H](Cn2ccnn2)C1 ZINC000119910311 655320980 /nfs/dbraw/zinc/32/09/80/655320980.db2.gz YCOQFJCJWIRBGD-KBPBESRZSA-N 1 0 385.295 2.737 20 0 GFADRO COc1cc(/C=C/C(=O)N2CC[N@H+](C)C[C@H]2C(C)C)cc(Br)c1O ZINC000180048153 655321438 /nfs/dbraw/zinc/32/14/38/655321438.db2.gz MIBDZAJLBZRTDT-NFAHFFEMSA-N 1 0 397.313 2.975 20 0 GFADRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)C1(c2ccc(Br)cc2)CCOCC1 ZINC000277510870 655323714 /nfs/dbraw/zinc/32/37/14/655323714.db2.gz KLURWEQULVBCTC-BBRMVZONSA-N 1 0 381.314 2.612 20 0 GFADRO Cc1cccc(C(=O)N2CCC(C[NH+]3CCN(C)CC3)CC2)c1Br ZINC000119989262 655324290 /nfs/dbraw/zinc/32/42/90/655324290.db2.gz YLCRULPXLKSIIH-UHFFFAOYSA-N 1 0 394.357 2.857 20 0 GFADRO Cc1nn(C)c(C[NH2+]CCc2cccc(C(=O)N(C)C)c2)c1Br ZINC000279164474 655327227 /nfs/dbraw/zinc/32/72/27/655327227.db2.gz QEWSAFAXGGESMN-UHFFFAOYSA-N 1 0 379.302 2.525 20 0 GFADRO CC[N@@H+]1CCC[C@@H](CNS(=O)(=O)Cc2ccc(Br)cc2)C1 ZINC000120131193 655328765 /nfs/dbraw/zinc/32/87/65/655328765.db2.gz HSFYAHSYPHFMPU-AWEZNQCLSA-N 1 0 375.332 2.600 20 0 GFADRO C[N@H+](CC(=O)NCCc1cc(Br)ccc1F)[C@H]1CCSC1 ZINC000120169378 655329990 /nfs/dbraw/zinc/32/99/90/655329990.db2.gz BVDHCWYXTKKSDI-ZDUSSCGKSA-N 1 0 375.307 2.684 20 0 GFADRO C[C@H]([NH2+]C[C@@H]1CCn2ncc(C(N)=O)c2C1)c1ccc(Br)cc1F ZINC000280967419 655330907 /nfs/dbraw/zinc/33/09/07/655330907.db2.gz LABIPSFRGLUFSG-WDEREUQCSA-N 1 0 395.276 2.797 20 0 GFADRO CC(C)CS(=O)(=O)N1CCC([NH2+]Cc2c(Cl)n(C)nc2C(C)C)CC1 ZINC000181120692 655332449 /nfs/dbraw/zinc/33/24/49/655332449.db2.gz IKBCLTHOSCHSMP-UHFFFAOYSA-N 1 0 390.981 2.737 20 0 GFADRO C[NH+](C)CCN1CCC(NC(=O)Nc2ccc(F)cc2Br)CC1 ZINC000120475605 655336797 /nfs/dbraw/zinc/33/67/97/655336797.db2.gz IBBGQSWAUBMOCC-UHFFFAOYSA-N 1 0 387.297 2.736 20 0 GFADRO CCC1(CC)[C@H](OC)C[C@@H]1[NH2+]CC1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000181741641 655339953 /nfs/dbraw/zinc/33/99/53/655339953.db2.gz WVZVLYXFHNARPS-UONOGXRCSA-N 1 0 386.480 2.731 20 0 GFADRO CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NS(=O)(=O)c1ncn(C)c1Cl ZINC000184333439 655356983 /nfs/dbraw/zinc/35/69/83/655356983.db2.gz FEORNFBAPQVRTP-OAHLLOKOSA-N 1 0 384.933 2.508 20 0 GFADRO Cn1cc(Br)c(-c2nc(-c3cccc(OCC[NH+](C)C)c3)no2)n1 ZINC000293049498 655358825 /nfs/dbraw/zinc/35/88/25/655358825.db2.gz AUIIOLMRGMONPP-UHFFFAOYSA-N 1 0 392.257 2.840 20 0 GFADRO Cc1c(I)cccc1C(=O)Nc1ccnn1CC[NH+](C)C ZINC000293993155 655364154 /nfs/dbraw/zinc/36/41/54/655364154.db2.gz HHMXWJRRZMKQKO-UHFFFAOYSA-N 1 0 398.248 2.610 20 0 GFADRO C[C@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1cc(Br)cc(F)c1[O-] ZINC000185647983 655365353 /nfs/dbraw/zinc/36/53/53/655365353.db2.gz UUVXSINFBNYHKE-LBPRGKRZSA-N 1 0 388.325 2.970 20 0 GFADRO C[C@@]1(C[C@H]2CCC[N@@H+]2Cc2cccc(F)c2Br)NC(=O)NC1=O ZINC000296149331 655368159 /nfs/dbraw/zinc/36/81/59/655368159.db2.gz VVCMFNPYXHGCCX-BZNIZROVSA-N 1 0 384.249 2.541 20 0 GFADRO CC[C@@H]([NH2+]CCS(=O)(=O)NC(C)C)c1cc(Br)ccc1O ZINC000186262489 655368470 /nfs/dbraw/zinc/36/84/70/655368470.db2.gz URYTUCLAYULJOH-CYBMUJFWSA-N 1 0 379.320 2.523 20 0 GFADRO Cc1nc2sccn2c(=O)c1CC[N@@H+](C)[C@H](CO)c1ccc(Cl)cc1 ZINC000296307723 655368726 /nfs/dbraw/zinc/36/87/26/655368726.db2.gz NYKMZAIPYIQIOI-MRXNPFEDSA-N 1 0 377.897 2.926 20 0 GFADRO COc1cc([C@H](C)[NH2+]CC2(CO)CCCC2)ccc1S(=O)(=O)C(F)F ZINC000186479181 655369821 /nfs/dbraw/zinc/36/98/21/655369821.db2.gz KGGUYZHSSFCJJW-LBPRGKRZSA-N 1 0 377.453 2.895 20 0 GFADRO O=C(NCC1CC1)[C@H]1CCC[N@@H+](C[C@@H](O)c2ccc(F)c(Br)c2)C1 ZINC000186673860 655370885 /nfs/dbraw/zinc/37/08/85/655370885.db2.gz TXPVTUBYTWVFGA-WMLDXEAASA-N 1 0 399.304 2.860 20 0 GFADRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000186885013 655371822 /nfs/dbraw/zinc/37/18/22/655371822.db2.gz DZDRAUHUTLKKIV-LRDDRELGSA-N 1 0 389.323 2.721 20 0 GFADRO COC[C@H](C)NC(=[NH2+])NCc1cc(Br)ccc1Br ZINC000187050084 655372649 /nfs/dbraw/zinc/37/26/49/655372649.db2.gz PNVGCRQATXXYIS-QMMMGPOBSA-N 1 0 379.096 2.651 20 0 GFADRO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)c1nn(C)cc1Br ZINC000298211113 655373204 /nfs/dbraw/zinc/37/32/04/655373204.db2.gz YKGHCECDMTVCKQ-CJNGLKHVSA-N 1 0 389.297 2.939 20 0 GFADRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)c1cnc(Br)c(Br)c1 ZINC000311685008 655379389 /nfs/dbraw/zinc/37/93/89/655379389.db2.gz NBSLFRNWCCFYJX-JTQLQIEISA-N 1 0 391.107 2.773 20 0 GFADRO C[N@@H+](CC(=O)NCC(=O)Nc1ccccc1Br)CC1CCCC1 ZINC000299417876 655375774 /nfs/dbraw/zinc/37/57/74/655375774.db2.gz VKUPGSRGXTUQSQ-UHFFFAOYSA-N 1 0 382.302 2.626 20 0 GFADRO CN(CC[N@H+](C)C1CC1)C(=O)C(=O)Nc1ccccc1SC(F)(F)F ZINC000187733710 655376181 /nfs/dbraw/zinc/37/61/81/655376181.db2.gz VSTGUJCSTJDTQN-UHFFFAOYSA-N 1 0 375.416 2.790 20 0 GFADRO CCCC[N@H+](C)C[C@H](C)NC(=O)C(=O)Nc1cc(Cl)c(N)c(Cl)c1 ZINC000299478387 655376572 /nfs/dbraw/zinc/37/65/72/655376572.db2.gz ZEEUYSUPYWLXHC-JTQLQIEISA-N 1 0 375.300 2.751 20 0 GFADRO Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)[NH2+]CC1CN(S(C)(=O)=O)C1 ZINC000187819325 655376628 /nfs/dbraw/zinc/37/66/28/655376628.db2.gz HNZNZVKTXRZSJZ-LLVKDONJSA-N 1 0 383.514 2.800 20 0 GFADRO Cc1cc(Br)c(NC(=O)CN(C)C[C@H](C)[NH3+])c(Br)c1 ZINC000311555829 655379366 /nfs/dbraw/zinc/37/93/66/655379366.db2.gz XAJFAWUYFDFLQB-VIFPVBQESA-N 1 0 393.123 2.738 20 0 GFADRO C[N@@H+]1CCC[C@]2(CCN(CN3C(=O)c4cc(Cl)c(Cl)cc4C3=O)C2)C1 ZINC000840087675 661130932 /nfs/dbraw/zinc/13/09/32/661130932.db2.gz UEVBPQNZFCHCRE-SFHVURJKSA-N 1 0 382.291 2.965 20 0 GFADRO O=c1c(Br)c(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cnn1CC(F)(F)F ZINC000322440930 655383040 /nfs/dbraw/zinc/38/30/40/655383040.db2.gz CPPRXVAUACSJAI-NXEZZACHSA-N 1 0 395.223 2.607 20 0 GFADRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NCC1([NH+](C)C)CCCC1 ZINC000325352699 655384542 /nfs/dbraw/zinc/38/45/42/655384542.db2.gz LHGYJIYOADSDRY-UHFFFAOYSA-N 1 0 375.878 2.709 20 0 GFADRO O=S(=O)(C(F)F)N1CCC(C[NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000189336094 655385988 /nfs/dbraw/zinc/38/59/88/655385988.db2.gz WEVOHXMJZRLNRG-RYUDHWBXSA-N 1 0 378.407 2.962 20 0 GFADRO O=C([C@@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000333782417 655388102 /nfs/dbraw/zinc/38/81/02/655388102.db2.gz DXBNYZJYQVFPFI-XIKOKIGWSA-N 1 0 382.291 2.701 20 0 GFADRO CC[NH+]1CCC(N2C(=O)CN(Cc3cccc(Br)c3)C2=O)CC1 ZINC000349267387 655388848 /nfs/dbraw/zinc/38/88/48/655388848.db2.gz FEQAIWDWLVEXDK-UHFFFAOYSA-N 1 0 380.286 2.698 20 0 GFADRO CCS[C@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1sc2c(c1C(N)=O)CCC2 ZINC000190025051 655389623 /nfs/dbraw/zinc/38/96/23/655389623.db2.gz VENTVFPRYDHTPL-JSGCOSHPSA-N 1 0 381.567 2.928 20 0 GFADRO COCCC[N@H+](C)CCN1C(=O)N[C@](C)(c2ccc(Cl)c(Cl)c2)C1=O ZINC000349393821 655390122 /nfs/dbraw/zinc/39/01/22/655390122.db2.gz HERMWBOCDWDVNZ-QGZVFWFLSA-N 1 0 388.295 2.729 20 0 GFADRO CC[C@H](C)[N@H+](C)CCN1C(=O)N[C@H](c2ccc(OC)c(Br)c2)C1=O ZINC000349409155 655390305 /nfs/dbraw/zinc/39/03/05/655390305.db2.gz XSWOURPOCLGTHT-XHDPSFHLSA-N 1 0 398.301 2.781 20 0 GFADRO C[NH+](C)CCn1ccc(NC(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)n1 ZINC000191564950 655399453 /nfs/dbraw/zinc/39/94/53/655399453.db2.gz VYIMJIJPDQGUPX-UHFFFAOYSA-N 1 0 397.233 2.759 20 0 GFADRO CN(C(=O)c1nn(-c2ccc(F)cc2)cc1Br)[C@H]1CCC[NH2+]CC1 ZINC000366681210 655400641 /nfs/dbraw/zinc/40/06/41/655400641.db2.gz QJVNJYGIPRMFGQ-ZDUSSCGKSA-N 1 0 395.276 2.988 20 0 GFADRO CCN1CC[C@H]([NH2+]C[C@H](C)CS(C)(=O)=O)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000374767224 655402131 /nfs/dbraw/zinc/40/21/31/655402131.db2.gz NRQLLZAWQUBJLW-KCTSRDHCSA-N 1 0 378.460 2.510 20 0 GFADRO CC(C)[C@H]1C[N@H+](C)CCN1Cn1c(=O)oc2cc(F)c(Br)cc21 ZINC000192160599 655403051 /nfs/dbraw/zinc/40/30/51/655403051.db2.gz RMPWZXKYCLQYRD-CQSZACIVSA-N 1 0 386.265 2.726 20 0 GFADRO Fc1ccc(I)c(F)c1CN1CC[C@]2(CCC[NH2+]2)C1 ZINC000415145830 655403532 /nfs/dbraw/zinc/40/35/32/655403532.db2.gz XWAKOOZUQWOPFN-CQSZACIVSA-N 1 0 378.204 2.897 20 0 GFADRO Cn1nc(Br)cc1C(=O)NCCN1CCc2c(Cl)cccc2C1 ZINC000192220808 655403711 /nfs/dbraw/zinc/40/37/11/655403711.db2.gz YUMMLVJZIXCRIB-UHFFFAOYSA-N 1 0 397.704 2.624 20 0 GFADRO COC(=O)CC[N@H+](CC[C@H]1CCOC1=O)Cc1cccc(Br)c1 ZINC000192330847 655404567 /nfs/dbraw/zinc/40/45/67/655404567.db2.gz RKMXYPFTKHIFII-AWEZNQCLSA-N 1 0 384.270 2.767 20 0 GFADRO CC[NH2+]CCNC(=O)N1CCC[C@@H]1c1ccc(I)cc1 ZINC000418326229 655405482 /nfs/dbraw/zinc/40/54/82/655405482.db2.gz NXKSGYGABCKHAW-CQSZACIVSA-N 1 0 387.265 2.747 20 0 GFADRO CCOc1ccc(Br)cc1CN(C(=O)N[C@@H]1CC[NH2+]C1)C1CC1 ZINC000418346724 655405773 /nfs/dbraw/zinc/40/57/73/655405773.db2.gz CNJSEJOOQXYEOR-CQSZACIVSA-N 1 0 382.302 2.884 20 0 GFADRO O=S(=O)(c1cccc(Cl)c1Br)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000420475293 655407548 /nfs/dbraw/zinc/40/75/48/655407548.db2.gz MHYGDRDFSGAZBW-CYBMUJFWSA-N 1 0 379.707 2.619 20 0 GFADRO C[C@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)C(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000423107197 655407799 /nfs/dbraw/zinc/40/77/99/655407799.db2.gz DRSYZURGGBCGPU-XIKOKIGWSA-N 1 0 384.307 2.867 20 0 GFADRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1cc2c(ccc(F)c2Br)[nH]1 ZINC000450229954 655410678 /nfs/dbraw/zinc/41/06/78/655410678.db2.gz FJBIUFWYBSMZEB-LLVKDONJSA-N 1 0 398.276 2.646 20 0 GFADRO CS(=O)(=O)N[C@H]1CCCC[C@@H]1C[NH2+]Cc1ccc(Br)c(F)c1 ZINC000512896221 655418027 /nfs/dbraw/zinc/41/80/27/655418027.db2.gz TYPNCCQZVZATIB-DOMZBBRYSA-N 1 0 393.322 2.786 20 0 GFADRO CN(C)c1cc(NC(=O)NCC[C@@H]2CCC[N@H+](C)C2)ncc1Br ZINC000562683867 655424162 /nfs/dbraw/zinc/42/41/62/655424162.db2.gz GRVUKXRQTXBMMT-LBPRGKRZSA-N 1 0 384.322 2.764 20 0 GFADRO CCN(CCC[NH2+]C1CC(c2ccc(Br)cc2)C1)S(C)(=O)=O ZINC000236849110 655425125 /nfs/dbraw/zinc/42/51/25/655425125.db2.gz ZPBXRIBXKVDBHS-UHFFFAOYSA-N 1 0 389.359 2.956 20 0 GFADRO CN(C(=O)[C@@H]1CCN(c2cccc(Br)c2)C1=O)C1CCC([NH3+])CC1 ZINC000237225027 655425927 /nfs/dbraw/zinc/42/59/27/655425927.db2.gz ONPPPQLAZSWJIB-XUJLQICISA-N 1 0 394.313 2.530 20 0 GFADRO O=C(C[C@@H]1CSCC[NH2+]1)Nc1cc(Cl)ccc1C(=O)N1CCCCC1 ZINC000237858433 655426703 /nfs/dbraw/zinc/42/67/03/655426703.db2.gz IJBRZHRJNJNYJJ-CQSZACIVSA-N 1 0 381.929 3.000 20 0 GFADRO C[C@]([NH3+])(C(=O)NCCCOCC(F)(F)F)c1ccc(Br)cc1 ZINC000574273750 655427706 /nfs/dbraw/zinc/42/77/06/655427706.db2.gz QSZJJSVTESBIOM-CYBMUJFWSA-N 1 0 383.208 2.708 20 0 GFADRO O=C([C@H](c1ccc(Br)cc1)N1CCCC1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000574274200 655427712 /nfs/dbraw/zinc/42/77/12/655427712.db2.gz NYBZOQMQCSMHHK-PKOBYXMFSA-N 1 0 392.341 2.798 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)[C@@H](C)C1 ZINC000245845326 655428567 /nfs/dbraw/zinc/42/85/67/655428567.db2.gz KYARBTUTRLTXNR-DTWKUNHWSA-N 1 0 386.386 2.733 20 0 GFADRO CC[C@H](C)C[C@H](C)[NH2+][C@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000246342062 655429735 /nfs/dbraw/zinc/42/97/35/655429735.db2.gz GWZNWAVGDZIRSH-SOUVJXGZSA-N 1 0 390.571 2.888 20 0 GFADRO COCCNc1nn(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c(=S)s1 ZINC000246709507 655430396 /nfs/dbraw/zinc/43/03/96/655430396.db2.gz UIEVYHGOHDMPLM-DZGCQCFKSA-N 1 0 383.587 2.639 20 0 GFADRO CCO[C@@H]1C[C@]([NH3+])(C(=O)NC[C@@H](O)c2c(Cl)cccc2Cl)C1(C)C ZINC000249064748 655433675 /nfs/dbraw/zinc/43/36/75/655433675.db2.gz IEWIMPNPAIVNPG-XNJGSVPQSA-N 1 0 375.296 2.676 20 0 GFADRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000249312621 655434028 /nfs/dbraw/zinc/43/40/28/655434028.db2.gz DZDRAUHUTLKKIV-MLGOLLRUSA-N 1 0 389.323 2.721 20 0 GFADRO O[C@@H](C[NH2+]CC[C@H]1CCOC1)COc1ccc(Cl)cc1Br ZINC000575054103 655434736 /nfs/dbraw/zinc/43/47/36/655434736.db2.gz LUHZXNJGBJTUET-AAEUAGOBSA-N 1 0 378.694 2.858 20 0 GFADRO CC[NH+]1CCC(CNc2cnn(-c3ccccn3)c(=O)c2Br)CC1 ZINC000575075061 655435113 /nfs/dbraw/zinc/43/51/13/655435113.db2.gz VVZNQJMQTOILEB-UHFFFAOYSA-N 1 0 392.301 2.534 20 0 GFADRO C[C@H](NC(=O)N[C@H](c1cncc(Br)c1)C1CC1)[C@@H]1CCC[NH2+]C1 ZINC000575108862 655435849 /nfs/dbraw/zinc/43/58/49/655435849.db2.gz NDYQAHFKZZBRQR-GHJWDPDVSA-N 1 0 381.318 2.983 20 0 GFADRO Cc1cc(OC[C@H](O)C[NH2+][C@H](C)CS(C)(=O)=O)c(C(C)C)cc1Cl ZINC000575861605 655438609 /nfs/dbraw/zinc/43/86/09/655438609.db2.gz CGIZGXXGMBBOHZ-ZIAGYGMSSA-N 1 0 377.934 2.534 20 0 GFADRO C[C@H]1c2cc(Cl)cc(Cl)c2CCN1C(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000575985925 655441676 /nfs/dbraw/zinc/44/16/76/655441676.db2.gz FTTJLSQBTGRDCM-ZBEGNZNMSA-N 1 0 384.307 2.697 20 0 GFADRO Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000576037457 655442287 /nfs/dbraw/zinc/44/22/87/655442287.db2.gz HDLBFYAZDAHENS-UHFFFAOYSA-N 1 0 378.826 2.854 20 0 GFADRO [NH3+]C1(c2noc([C@H]3CC(=O)N(c4cccc(Br)c4)C3)n2)CCC1 ZINC000261809990 655442514 /nfs/dbraw/zinc/44/25/14/655442514.db2.gz PSMCCZAOISQPMV-JTQLQIEISA-N 1 0 377.242 2.691 20 0 GFADRO O=C(NCC1C[NH2+]C1)c1cnn(-c2ncc(Cl)cc2Cl)c1C(F)(F)F ZINC000262021633 655443543 /nfs/dbraw/zinc/44/35/43/655443543.db2.gz MIGLDCLBXNQMRN-UHFFFAOYSA-N 1 0 394.184 2.542 20 0 GFADRO O=S(=O)(c1cccc(Br)c1Cl)N1CCC2(C1)CC[NH2+]CC2 ZINC000262250368 655444803 /nfs/dbraw/zinc/44/48/03/655444803.db2.gz IPZFWVCSAVVDQE-UHFFFAOYSA-N 1 0 393.734 2.867 20 0 GFADRO CC(C)[N@@H+]1CC[C@@H](N(C)CN2C(=O)N[C@@](C)(c3ccc(Cl)s3)C2=O)C1 ZINC000840153404 661141522 /nfs/dbraw/zinc/14/15/22/661141522.db2.gz QOVNYNSNFVUOCY-PXAZEXFGSA-N 1 0 384.933 2.541 20 0 GFADRO Cc1cc(Br)cc(C)c1S(=O)(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000576400026 655446734 /nfs/dbraw/zinc/44/67/34/655446734.db2.gz YFVTWLQROTVBPD-MRXNPFEDSA-N 1 0 387.343 2.830 20 0 GFADRO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)Nc1ccc(C(F)(F)F)c(Br)c1 ZINC000577396413 655458536 /nfs/dbraw/zinc/45/85/36/655458536.db2.gz XXVGMFUBUMQZCW-JGVFFNPUSA-N 1 0 396.207 2.648 20 0 GFADRO C[C@H]1CN(CC[NH2+]C2(c3cccc(Br)c3)CCOCC2)CCO1 ZINC000577470476 655460240 /nfs/dbraw/zinc/46/02/40/655460240.db2.gz RFXRKBLZAMFHNJ-HNNXBMFYSA-N 1 0 383.330 2.765 20 0 GFADRO O=S(=O)(CCC[NH2+]C[C@@H](O)COc1ccccc1)c1ccc(Cl)cc1 ZINC000577622720 655463163 /nfs/dbraw/zinc/46/31/63/655463163.db2.gz OZDVQFVEMOVTQP-MRXNPFEDSA-N 1 0 383.897 2.533 20 0 GFADRO CN(C)CC[N@H+](C)CCCNC(=O)c1cc2c(cccc2Br)[nH]1 ZINC000577657718 655464044 /nfs/dbraw/zinc/46/40/44/655464044.db2.gz DYKIKGRVUFMKAJ-UHFFFAOYSA-N 1 0 381.318 2.544 20 0 GFADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)c1cc2cc(Br)ccc2o1 ZINC000264485036 655464812 /nfs/dbraw/zinc/46/48/12/655464812.db2.gz XGVRXJKRQHALKO-LBPRGKRZSA-N 1 0 380.286 2.561 20 0 GFADRO Cc1ccc(Cl)c(OC[C@H](O)C[NH2+]C[C@H]2CCN(CC(F)(F)F)C2)c1 ZINC000577947687 655470094 /nfs/dbraw/zinc/47/00/94/655470094.db2.gz TXONNPOYCMVTJJ-ZIAGYGMSSA-N 1 0 380.838 2.862 20 0 GFADRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)C[C@@](O)(c1nc(C)cs1)C(F)(F)F ZINC000264787167 655470545 /nfs/dbraw/zinc/47/05/45/655470545.db2.gz XHVNLEHLNBNDBI-IUODEOHRSA-N 1 0 379.448 2.582 20 0 GFADRO NS(=O)(=O)c1cc(Cl)cc(C[NH2+][C@@H](c2ccccc2)[C@H]2CCOC2)c1 ZINC000578135056 655473281 /nfs/dbraw/zinc/47/32/81/655473281.db2.gz PHMVNKZDIBFLEV-YJBOKZPZSA-N 1 0 380.897 2.855 20 0 GFADRO C[C@@H](NC(=O)N1CC[N@@H+]([C@@H]2C[C@@H]2C)C[C@H](C)C1)c1ncc(Br)cn1 ZINC000578320584 655476616 /nfs/dbraw/zinc/47/66/16/655476616.db2.gz HDBVKNGIVQDNTC-RMRHIDDWSA-N 1 0 396.333 2.672 20 0 GFADRO CN(C)S(=O)(=O)N1CCCC[C@@H]1C[NH2+]Cc1c(Cl)cccc1Cl ZINC000578395588 655477863 /nfs/dbraw/zinc/47/78/63/655477863.db2.gz HGGOCQLMKJDCDT-GFCCVEGCSA-N 1 0 380.341 2.744 20 0 GFADRO C[C@H](CNC(=O)c1cc(Cl)ccc1Br)C[NH+]1CCN(C)CC1 ZINC000265155077 655478373 /nfs/dbraw/zinc/47/83/73/655478373.db2.gz ZXXHYXNPWKUNHB-GFCCVEGCSA-N 1 0 388.737 2.716 20 0 GFADRO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1ccc2nc(SC)sc2c1 ZINC000265387346 655482503 /nfs/dbraw/zinc/48/25/03/655482503.db2.gz MXPRUVTUDLILJE-LLVKDONJSA-N 1 0 380.539 2.803 20 0 GFADRO C[N@@H+]1CCCC[C@H]1CCOC(=O)c1cccc(S(=O)(=O)CC(F)F)c1 ZINC000840228282 661148185 /nfs/dbraw/zinc/14/81/85/661148185.db2.gz OMUNGFOQSRZPGF-AWEZNQCLSA-N 1 0 375.437 2.757 20 0 GFADRO O=C(CCOC1C[NH2+]C1)N1CCCC[C@@H]1Cc1cccc(Br)c1 ZINC000578740424 655486057 /nfs/dbraw/zinc/48/60/57/655486057.db2.gz GMYOREAMJZYWFQ-MRXNPFEDSA-N 1 0 381.314 2.751 20 0 GFADRO CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000579076291 655493008 /nfs/dbraw/zinc/49/30/08/655493008.db2.gz JVTHELMPDUJJME-HOTGVXAUSA-N 1 0 394.313 2.545 20 0 GFADRO C[C@H]1CN(CCNC(=O)COc2c(Cl)cc(Cl)cc2Cl)CCO1 ZINC000579074153 655493049 /nfs/dbraw/zinc/49/30/49/655493049.db2.gz FUVIRAHLUVJLCI-JTQLQIEISA-N 1 0 381.687 2.863 20 0 GFADRO C[C@@H]1CN(C[C@@H](O)C[NH2+]CC(C)(C)c2ccccc2Br)C[C@H](C)O1 ZINC000579103033 655493982 /nfs/dbraw/zinc/49/39/82/655493982.db2.gz BTOXVZZAYLQLKS-XHSDSOJGSA-N 1 0 399.373 2.786 20 0 GFADRO O[C@@H](C[NH2+]CCc1ccccc1Br)COc1ccc2c(c1)OCO2 ZINC000579110603 655494157 /nfs/dbraw/zinc/49/41/57/655494157.db2.gz CHBURQFFHCRSJW-AWEZNQCLSA-N 1 0 394.265 2.750 20 0 GFADRO CC[NH+](CC)[C@H](C)CNC(=O)N(C)C[C@@H](O)c1cccc(Br)c1 ZINC000840253748 661149723 /nfs/dbraw/zinc/14/97/23/661149723.db2.gz RCGAAXYPUOQWFO-CZUORRHYSA-N 1 0 386.334 2.854 20 0 GFADRO C[C@@H](C[NH+]1CCCCC1)NC(=O)N(C)C[C@@H](O)c1cccc(Br)c1 ZINC000840253326 661149806 /nfs/dbraw/zinc/14/98/06/661149806.db2.gz LPXFAHRUDRTHGJ-WMLDXEAASA-N 1 0 398.345 2.998 20 0 GFADRO O=C(CC[NH2+]C[C@@H](O)COc1cccc(Cl)c1Cl)Nc1cccnc1 ZINC000579423291 655499319 /nfs/dbraw/zinc/49/93/19/655499319.db2.gz JZTMWZBDXDNQBO-CYBMUJFWSA-N 1 0 384.263 2.747 20 0 GFADRO C[C@H](CNC(=O)N(C)C[C@@H](O)c1cccc(Br)c1)C[NH+]1CCCC1 ZINC000840259028 661150406 /nfs/dbraw/zinc/15/04/06/661150406.db2.gz BEDIIXQQRPTFJY-RHSMWYFYSA-N 1 0 398.345 2.856 20 0 GFADRO CC(C)[NH+]1CCN([C@@H]2CCN(c3nc(C4CC4)ncc3Br)C2)CC1 ZINC000596157774 655514289 /nfs/dbraw/zinc/51/42/89/655514289.db2.gz FOHRMBWULBNNOS-OAHLLOKOSA-N 1 0 394.361 2.721 20 0 GFADRO O=C(c1csc(I)c1)N1CCC([NH+]2CCC2)CC1 ZINC000700416551 655521520 /nfs/dbraw/zinc/52/15/20/655521520.db2.gz XMKIBQCCPSBYNQ-UHFFFAOYSA-N 1 0 376.263 2.663 20 0 GFADRO C[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1NC(=O)c1c(Br)cnn1C ZINC000716185438 655523375 /nfs/dbraw/zinc/52/33/75/655523375.db2.gz LSGDSEJZLGLVCX-CZUORRHYSA-N 1 0 391.313 2.823 20 0 GFADRO C[C@@H](NS(=O)(=O)c1c(Cl)cccc1Br)C1CC[NH2+]CC1 ZINC000716587019 655523602 /nfs/dbraw/zinc/52/36/02/655523602.db2.gz ZWDKQVPLERSXFT-SECBINFHSA-N 1 0 381.723 2.769 20 0 GFADRO C[N@H+](Cc1ccccc1)[C@@H](CNS(=O)(=O)c1cccnc1Cl)C1CC1 ZINC000718030047 655523870 /nfs/dbraw/zinc/52/38/70/655523870.db2.gz BBOAHNVTJMSZMC-INIZCTEOSA-N 1 0 379.913 2.924 20 0 GFADRO C[C@H]([NH2+]CC[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O)c1ccsc1 ZINC000721751548 655525129 /nfs/dbraw/zinc/52/51/29/655525129.db2.gz HDNJMVQVRDZKFK-DZGCQCFKSA-N 1 0 388.555 2.823 20 0 GFADRO C[C@@H]([NH2+]CC[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O)c1ccsc1 ZINC000721751550 655525157 /nfs/dbraw/zinc/52/51/57/655525157.db2.gz HDNJMVQVRDZKFK-HIFRSBDPSA-N 1 0 388.555 2.823 20 0 GFADRO Cc1ccsc1C[NH2+]CC[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O ZINC000721755696 655525206 /nfs/dbraw/zinc/52/52/06/655525206.db2.gz XBAUIBVDSDVBPL-CQSZACIVSA-N 1 0 388.555 2.570 20 0 GFADRO C[C@@H]([NH2+]CC(C)(C)CS(C)(=O)=O)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000723883518 655525660 /nfs/dbraw/zinc/52/56/60/655525660.db2.gz RJDHYHMOBQQVFY-CQSZACIVSA-N 1 0 376.563 2.682 20 0 GFADRO C[NH+](C)CC(C)(C)CNC(=S)NCc1ccnc(OCC(F)(F)F)c1 ZINC000727076649 655541400 /nfs/dbraw/zinc/54/14/00/655541400.db2.gz WRKBGEMZIZGZFV-UHFFFAOYSA-N 1 0 378.464 2.575 20 0 GFADRO Cc1ccc[n+](C(C(=O)c2ccc(Cl)cc2Cl)C(=S)NCC(N)=O)c1 ZINC000727161817 655542420 /nfs/dbraw/zinc/54/24/20/655542420.db2.gz PTDFFDROKGIDQD-UHFFFAOYSA-O 1 0 397.307 2.875 20 0 GFADRO CC(C)NC(=O)CNC(=S)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000727272194 655543764 /nfs/dbraw/zinc/54/37/64/655543764.db2.gz JNZGKZVFOKFAQQ-OAHLLOKOSA-N 1 0 382.599 2.510 20 0 GFADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1c[nH]c2ccc(Br)cc12 ZINC000728210519 655553954 /nfs/dbraw/zinc/55/39/54/655553954.db2.gz ICIVVVIHRQRQCK-QWHCGFSZSA-N 1 0 378.270 2.523 20 0 GFADRO C[NH+]1CCC(NC(=S)N[C@H]2CCN(c3ccc(Br)cc3)C2)CC1 ZINC000728452447 655555749 /nfs/dbraw/zinc/55/57/49/655555749.db2.gz ULSUCEBESSTZCF-HNNXBMFYSA-N 1 0 397.386 2.586 20 0 GFADRO Cc1n[nH]c(C(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)c1Br ZINC000728556951 655556320 /nfs/dbraw/zinc/55/63/20/655556320.db2.gz ZMZQSDCMSXUAJJ-OAHLLOKOSA-N 1 0 391.313 2.775 20 0 GFADRO O[C@H](CN1CCC[N@H+](C[C@H]2CCCO2)CC1)c1ccc(Br)cc1 ZINC000729031862 655561246 /nfs/dbraw/zinc/56/12/46/655561246.db2.gz RYSWHDWDKTYGLM-QZTJIDSGSA-N 1 0 383.330 2.669 20 0 GFADRO CCN(Cc1cccc(Br)c1)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000729504815 655565605 /nfs/dbraw/zinc/56/56/05/655565605.db2.gz LAOCQSCTJZGFQX-IAGOWNOFSA-N 1 0 396.329 2.844 20 0 GFADRO CC[NH+](CC)CCNC(=O)NC[C@](O)(c1ccc(Cl)cc1)C(F)(F)F ZINC000729581576 655565945 /nfs/dbraw/zinc/56/59/45/655565945.db2.gz WPOGXVHJGJGVNL-HNNXBMFYSA-N 1 0 381.826 2.731 20 0 GFADRO Cc1ccc(/C=C\C(=O)N[C@H](C)CN2CC[NH+](C)CC2)c(Br)c1 ZINC000730227306 655572537 /nfs/dbraw/zinc/57/25/37/655572537.db2.gz BJQKVJJNEAAHFL-IDTUSYRASA-N 1 0 380.330 2.523 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CNC(=S)Nc1cccc(CS(=O)(=O)C(C)C)c1 ZINC000732725246 655600828 /nfs/dbraw/zinc/60/08/28/655600828.db2.gz QYAFKRBGXSZTMS-KRWDZBQOSA-N 1 0 383.583 2.781 20 0 GFADRO CC(C)[C@@H](C[NH+](C)C)NC(=O)[C@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000733169110 655608682 /nfs/dbraw/zinc/60/86/82/655608682.db2.gz ZORWLLYKJPFFBX-XJKSGUPXSA-N 1 0 396.329 2.504 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CNC(=S)NCc1nc(-c2ccc(Cl)cc2)no1 ZINC000734310994 655629067 /nfs/dbraw/zinc/62/90/67/655629067.db2.gz WLIOPXFKUNEFCD-CQSZACIVSA-N 1 0 379.917 2.838 20 0 GFADRO COC(=O)c1ccc(Cl)c(S(=O)(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)c1 ZINC000734851268 655635628 /nfs/dbraw/zinc/63/56/28/655635628.db2.gz XKDRFUOIHMBYOF-HNNXBMFYSA-N 1 0 390.933 2.771 20 0 GFADRO CCC[NH+]1CCN(C(=O)Nc2cc3c(cc2Br)OCCO3)CC1 ZINC000735861143 655654136 /nfs/dbraw/zinc/65/41/36/655654136.db2.gz VSXDIRJESUSAAR-UHFFFAOYSA-N 1 0 384.274 2.780 20 0 GFADRO CCc1ccc(CN2CCN(C(=S)NC[C@H]3CCC[N@H+]3CC)CC2)s1 ZINC000737453333 655672347 /nfs/dbraw/zinc/67/23/47/655672347.db2.gz UTSFFIKHIPBVQW-MRXNPFEDSA-N 1 0 380.627 2.787 20 0 GFADRO O=c1oc2cc(Br)ccc2n1CN1CCC[C@@H]1C[NH+]1CCCC1 ZINC000738103168 655685532 /nfs/dbraw/zinc/68/55/32/655685532.db2.gz BNKOLLVVXKDMII-CQSZACIVSA-N 1 0 380.286 2.875 20 0 GFADRO O=S(=O)(NCC1CC[NH+](Cc2cccs2)CC1)c1cccnc1Cl ZINC000738364511 655689822 /nfs/dbraw/zinc/68/98/22/655689822.db2.gz ATBHSWMOQRPFFI-UHFFFAOYSA-N 1 0 385.942 2.987 20 0 GFADRO O=C(NCC1([NH+]2CCSCC2)CCCC1)N[C@@H](CCO)c1cccs1 ZINC000741078612 655702751 /nfs/dbraw/zinc/70/27/51/655702751.db2.gz LYVHLSLFAJXUSA-HNNXBMFYSA-N 1 0 383.583 2.832 20 0 GFADRO O=C(NCC1([NH+]2CCSCC2)CCCC1)N[C@H](CCO)c1cccs1 ZINC000741078613 655702805 /nfs/dbraw/zinc/70/28/05/655702805.db2.gz LYVHLSLFAJXUSA-OAHLLOKOSA-N 1 0 383.583 2.832 20 0 GFADRO CC[NH+](CC)C[C@H]1CCN(C(=O)c2sccc2S(=O)(=O)C(F)F)C1 ZINC000742866824 655722935 /nfs/dbraw/zinc/72/29/35/655722935.db2.gz CLXZVCBUEHGSHJ-LLVKDONJSA-N 1 0 380.482 2.548 20 0 GFADRO FC(F)(F)Oc1ccc(CNC(=S)NCC[NH+]2CCSCC2)cc1 ZINC000743001070 655724333 /nfs/dbraw/zinc/72/43/33/655724333.db2.gz YLTYSZXZZHMTHI-UHFFFAOYSA-N 1 0 379.473 2.598 20 0 GFADRO COc1ccc(Cl)c(NC(=S)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)c1 ZINC000743000123 655724350 /nfs/dbraw/zinc/72/43/50/655724350.db2.gz PLGRTNCNMMZDTF-CYBMUJFWSA-N 1 0 382.961 2.804 20 0 GFADRO C[C@H](c1ccc(Br)cc1)N1CCN(C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000743273405 655727647 /nfs/dbraw/zinc/72/76/47/655727647.db2.gz UNZGJFZVMQYVGT-APWZRJJASA-N 1 0 396.373 2.584 20 0 GFADRO CC[NH+](CC)C[C@H]1CCN(CN2c3cccc(Br)c3C(=O)C2=O)C1 ZINC000743388315 655728426 /nfs/dbraw/zinc/72/84/26/655728426.db2.gz SOVDCUUMWWSJMU-CYBMUJFWSA-N 1 0 394.313 2.600 20 0 GFADRO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@@H]1COC2(CCC(C)CC2)O1 ZINC000840737338 661181335 /nfs/dbraw/zinc/18/13/35/661181335.db2.gz BKJFMJJEPSKFQJ-DHCNJQPXSA-N 1 0 399.329 2.911 20 0 GFADRO C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)NCC[S@@](C)=O ZINC000745845960 655755308 /nfs/dbraw/zinc/75/53/08/655755308.db2.gz UFRIDQVNGZOKLT-XMMPIXPASA-N 1 0 394.368 2.835 20 0 GFADRO CC[NH+]1CCN(CC(=O)N2CCC[C@@H]2Cc2ccc(Br)cc2)CC1 ZINC000746164717 655758803 /nfs/dbraw/zinc/75/88/03/655758803.db2.gz HMHJIQVCJXGQJE-GOSISDBHSA-N 1 0 394.357 2.620 20 0 GFADRO CCC[N@H+](CC)CCNC(=O)/C=C\c1ccc(I)o1 ZINC000746639958 655765275 /nfs/dbraw/zinc/76/52/75/655765275.db2.gz RCLCVDVVETUDQO-VURMDHGXSA-N 1 0 376.238 2.746 20 0 GFADRO Cc1nc(-c2cccs2)c(CC(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)s1 ZINC000747236869 655774906 /nfs/dbraw/zinc/77/49/06/655774906.db2.gz QTYZMRZGSKZAKT-KBPBESRZSA-N 1 0 377.535 2.702 20 0 GFADRO CC(=O)N1CSC[C@@H]1C(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000747371854 655778035 /nfs/dbraw/zinc/77/80/35/655778035.db2.gz AFJQGKFWANWHSF-DLBZAZTESA-N 1 0 381.929 2.515 20 0 GFADRO O=S(=O)(N1CCC(C[NH2+][C@H]2CCc3c2cccc3F)CC1)C(F)(F)F ZINC000747816031 655783822 /nfs/dbraw/zinc/78/38/22/655783822.db2.gz QHVNTJYEBIEREI-HNNXBMFYSA-N 1 0 380.407 2.964 20 0 GFADRO C[C@H](NC(=S)NCCN1CCC[N@H+](C)CC1)c1ccc(Br)cc1 ZINC000840719069 661178473 /nfs/dbraw/zinc/17/84/73/661178473.db2.gz CYOUHQKMKQUKRI-AWEZNQCLSA-N 1 0 399.402 2.612 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)C[NH2+]Cc1ccc(C(N)=O)cc1 ZINC000749263622 655802363 /nfs/dbraw/zinc/80/23/63/655802363.db2.gz KHIXFKLIEUMHEG-UHFFFAOYSA-N 1 0 376.254 2.585 20 0 GFADRO O=c1oc2ccc(Br)cc2n1CN1CCC[C@H]1C[NH+]1CCCC1 ZINC000749957548 655809653 /nfs/dbraw/zinc/80/96/53/655809653.db2.gz YKPYYSFZIYSVOO-AWEZNQCLSA-N 1 0 380.286 2.875 20 0 GFADRO NS(=O)(=O)c1ccc(CC[N@@H+]2CCC[C@@H]2C[C@H](O)c2cccs2)cc1 ZINC000750829603 655817860 /nfs/dbraw/zinc/81/78/60/655817860.db2.gz IYNHXHKKDBKQMH-WBVHZDCISA-N 1 0 380.535 2.526 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CNC(=S)Nc1cc(N(C)C)c(Br)cn1 ZINC000840815919 661191342 /nfs/dbraw/zinc/19/13/42/661191342.db2.gz IHZAVIGSXBLJRM-NSHDSACASA-N 1 0 386.363 2.681 20 0 GFADRO COc1cc(C[NH2+]C[C@@H](O)c2ccccc2Br)ccc1OCCO ZINC000751577016 655831188 /nfs/dbraw/zinc/83/11/88/655831188.db2.gz TUFGGYSXESUKER-MRXNPFEDSA-N 1 0 396.281 2.652 20 0 GFADRO Cc1c(Cl)cccc1NC(=S)N1CC[NH+]([C@@H]2CCNC(=O)CC2)CC1 ZINC000840823047 661192560 /nfs/dbraw/zinc/19/25/60/661192560.db2.gz LDMDEPIRVNZMSP-AWEZNQCLSA-N 1 0 380.945 2.632 20 0 GFADRO O=C([C@@H]1CCC[N@@H+](C[C@H](O)c2ccccc2Br)C1)N1CCCC1 ZINC000751987657 655838033 /nfs/dbraw/zinc/83/80/33/655838033.db2.gz KVVQPFVQKHYUMI-PBHICJAKSA-N 1 0 381.314 2.817 20 0 GFADRO C[N@H+](C[C@@H](O)c1ccccc1Br)CC(C)(C)CN1CCOCC1 ZINC000752086572 655839356 /nfs/dbraw/zinc/83/93/56/655839356.db2.gz MDWWYDQDXKALLU-QGZVFWFLSA-N 1 0 385.346 2.773 20 0 GFADRO O=C(/C=C/c1ccc(Br)o1)N1CC[C@@H](OCC[NH+]2CCCC2)C1 ZINC000752101378 655839588 /nfs/dbraw/zinc/83/95/88/655839588.db2.gz JHLMTRZCBVYIMP-CSPWOOARSA-N 1 0 383.286 2.769 20 0 GFADRO O=C(/C=C\c1ccc(Br)o1)N1CC[C@H](OCC[NH+]2CCCC2)C1 ZINC000752101381 655839605 /nfs/dbraw/zinc/83/96/05/655839605.db2.gz JHLMTRZCBVYIMP-VOKGJARPSA-N 1 0 383.286 2.769 20 0 GFADRO O=C1NC2(CO1)CC[NH+](CC1=Cc3cc(Br)ccc3OC1)CC2 ZINC000753587138 655856214 /nfs/dbraw/zinc/85/62/14/655856214.db2.gz MXRVKRQRUHOEKI-UHFFFAOYSA-N 1 0 379.254 2.799 20 0 GFADRO C[NH+]1CCC(O)(CNC(=O)N[C@H]2CCOc3c(Cl)c(Cl)ccc32)CC1 ZINC000753773008 655858348 /nfs/dbraw/zinc/85/83/48/655858348.db2.gz GQJMDVQGCAZQEI-ZDUSSCGKSA-N 1 0 388.295 2.573 20 0 GFADRO OC[C@@H](C[C@@H](O)c1ccccc1)[NH2+]Cc1ccccc1I ZINC000754083179 655863455 /nfs/dbraw/zinc/86/34/55/655863455.db2.gz UGCFIQJITBMGFJ-NVXWUHKLSA-N 1 0 397.256 2.865 20 0 GFADRO C[NH+](C)C1(CNC(=O)c2scnc2Br)Cc2ccccc2C1 ZINC000754305024 655866240 /nfs/dbraw/zinc/86/62/40/655866240.db2.gz PHFCMFQXNMFSIZ-UHFFFAOYSA-N 1 0 380.311 2.735 20 0 GFADRO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)c1scnc1Br ZINC000754418669 655867507 /nfs/dbraw/zinc/86/75/07/655867507.db2.gz LABRDOOPWCTAFO-UHFFFAOYSA-N 1 0 381.299 2.947 20 0 GFADRO COC(=O)C[C@@H]([NH2+]CC(=O)Nc1ccc(Br)cc1Cl)C1CC1 ZINC000754519886 655869072 /nfs/dbraw/zinc/86/90/72/655869072.db2.gz PVBKZYMZEJPYDK-CYBMUJFWSA-N 1 0 389.677 2.972 20 0 GFADRO O=c1c(Br)nn(CN2CC[C@@H](C[NH+]3CCCC3)C2)c2ccccc12 ZINC000755751279 655888392 /nfs/dbraw/zinc/88/83/92/655888392.db2.gz VNBAJQFKEGAWSV-AWEZNQCLSA-N 1 0 391.313 2.534 20 0 GFADRO COC(=O)c1cc(S(=O)(=O)NC[C@@H](C)C[NH+]2CCCCC2)ccc1Cl ZINC000757488614 655912392 /nfs/dbraw/zinc/91/23/92/655912392.db2.gz ZKYFOQWFHOQRKS-CYBMUJFWSA-N 1 0 388.917 2.527 20 0 GFADRO COC(=O)c1cc(S(=O)(=O)NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)ccc1Cl ZINC000757488539 655912395 /nfs/dbraw/zinc/91/23/95/655912395.db2.gz YHGNEELYXMBROM-STQMWFEESA-N 1 0 388.917 2.525 20 0 GFADRO O=C(c1cccnc1I)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000758221888 655926373 /nfs/dbraw/zinc/92/63/73/655926373.db2.gz IGJOCMNJXDXMMN-UHFFFAOYSA-N 1 0 399.276 2.777 20 0 GFADRO C[NH+](C)CCOc1ccc(CCNC(=O)c2ccnc(Br)c2)cc1 ZINC000758223340 655926670 /nfs/dbraw/zinc/92/66/70/655926670.db2.gz NEMSXJAWFVVTBN-UHFFFAOYSA-N 1 0 392.297 2.757 20 0 GFADRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)c2cnn(C)c2Br)C1 ZINC000760277069 655974181 /nfs/dbraw/zinc/97/41/81/655974181.db2.gz XIFRYYVRPZNQOQ-KBPBESRZSA-N 1 0 383.334 2.909 20 0 GFADRO C[NH+]1CCC(CNC(=S)NC[C@@H](O)c2ccccc2C(F)(F)F)CC1 ZINC000760474969 655981840 /nfs/dbraw/zinc/98/18/40/655981840.db2.gz FRWIAELCQCBTAM-OAHLLOKOSA-N 1 0 375.460 2.545 20 0 GFADRO C[NH+](C)C[C@@H]1CN(C(=O)c2ccc(Br)nc2)c2ccccc2O1 ZINC000760824033 655992562 /nfs/dbraw/zinc/99/25/62/655992562.db2.gz XUOHNNQPOIVFGE-CYBMUJFWSA-N 1 0 376.254 2.814 20 0 GFADRO O=S(=O)(c1ccc2nc(Cl)sc2c1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000760850818 655993204 /nfs/dbraw/zinc/99/32/04/655993204.db2.gz CSNTVNBZUFNCFA-UHFFFAOYSA-N 1 0 394.909 2.856 20 0 GFADRO C[C@]1(c2cccc(Br)c2)NC(=O)N([C@@H]2CC[N@H+](CC3CC3)C2)C1=O ZINC000761241446 656004686 /nfs/dbraw/zinc/00/46/86/656004686.db2.gz WOQLPKBKCMWEKS-CRAIPNDOSA-N 1 0 392.297 2.700 20 0 GFADRO C[C@@H]1C[C@@H](N2C(=O)N[C@@](C)(c3cccc(Br)c3)C2=O)C[N@@H+]1C1CC1 ZINC000762098722 656031249 /nfs/dbraw/zinc/03/12/49/656031249.db2.gz ZTMFVZZTUXQYQA-MZKGEVEHSA-N 1 0 392.297 2.841 20 0 GFADRO C[N@H+](CCNC(=O)N[C@@H]1CC[C@H]2SCCS[C@@H]12)Cc1ccc(F)cc1 ZINC000762585475 656050416 /nfs/dbraw/zinc/05/04/16/656050416.db2.gz LXDHJEGQHDXWJA-ZACQAIPSSA-N 1 0 383.558 2.936 20 0 GFADRO O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)N[C@@H]1CC[C@@H]2SCCS[C@H]12 ZINC000762635723 656053857 /nfs/dbraw/zinc/05/38/57/656053857.db2.gz ZTSRHFRYDIMVLP-ZJPYXAASSA-N 1 0 377.579 2.940 20 0 GFADRO Cc1csc(SCc2ccccc2C(=O)NC[C@]2(O)CC[N@@H+](C)C2)n1 ZINC000762716187 656057049 /nfs/dbraw/zinc/05/70/49/656057049.db2.gz ILYMDAKZPJMDQV-GOSISDBHSA-N 1 0 377.535 2.540 20 0 GFADRO Cc1sc(Cl)nc1C(=O)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000762897924 656063060 /nfs/dbraw/zinc/06/30/60/656063060.db2.gz JCBRBWBCZRPCKV-CABCVRRESA-N 1 0 379.913 2.718 20 0 GFADRO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)N[C@@H]1CC[C@H]2SCCS[C@@H]12 ZINC000763006680 656068220 /nfs/dbraw/zinc/06/82/20/656068220.db2.gz ANCQQDQBSTYIDX-MLHJIOFPSA-N 1 0 379.595 2.838 20 0 GFADRO COc1cc(OCC[NH+](C)C)ccc1NCc1cc(Br)nn1C ZINC000840959856 661220165 /nfs/dbraw/zinc/22/01/65/661220165.db2.gz WQEOCPCYOZALAW-UHFFFAOYSA-N 1 0 383.290 2.744 20 0 GFADRO COC(=O)[C@H](c1cc(Cl)cc(Cl)c1)N1CC[NH+](CCCCO)CC1 ZINC000763558304 656085993 /nfs/dbraw/zinc/08/59/93/656085993.db2.gz UFKLSCLPSACAOJ-INIZCTEOSA-N 1 0 375.296 2.598 20 0 GFADRO CC[C@@](C[NH2+]Cc1cc(Br)nn1C)(C(=O)OC)c1ccccc1 ZINC000840978954 661223737 /nfs/dbraw/zinc/22/37/37/661223737.db2.gz UBALTFBBDUBTSD-KRWDZBQOSA-N 1 0 380.286 2.793 20 0 GFADRO C[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc2cc(Br)ccc2c1 ZINC000764258180 656106391 /nfs/dbraw/zinc/10/63/91/656106391.db2.gz SIYGZLFUKYHDAJ-INIZCTEOSA-N 1 0 390.281 2.751 20 0 GFADRO Cc1cc(Br)ccc1CN(C)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000764778898 656119549 /nfs/dbraw/zinc/11/95/49/656119549.db2.gz JZJUKVACYVWQKD-IRXDYDNUSA-N 1 0 396.329 2.762 20 0 GFADRO COc1cc([C@@H](C)[NH2+]CCCN(C)S(C)(=O)=O)ccc1SC(F)F ZINC000764905721 656122687 /nfs/dbraw/zinc/12/26/87/656122687.db2.gz UTPSHKFYFFQTOV-LLVKDONJSA-N 1 0 382.498 2.942 20 0 GFADRO Brc1cnn(CN2CC[NH+](CC3CCOCC3)CC2)c1C1CC1 ZINC000765002509 656125711 /nfs/dbraw/zinc/12/57/11/656125711.db2.gz OTLBOZBBSDIWBA-UHFFFAOYSA-N 1 0 383.334 2.525 20 0 GFADRO O=C(Nc1cc2c(cc1Br)OCCO2)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000841013899 661226711 /nfs/dbraw/zinc/22/67/11/661226711.db2.gz AKZCSHACOPXDRF-QJPTWQEYSA-N 1 0 396.285 2.730 20 0 GFADRO C[NH+](C)CCOC1CCN(C(=O)[C@@H](O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000765043056 656127165 /nfs/dbraw/zinc/12/71/65/656127165.db2.gz UXHKHMHQFBUVBK-INIZCTEOSA-N 1 0 375.296 2.596 20 0 GFADRO C[NH+](C)CCOc1cc(C(=O)N2Cc3ccc(Br)cc3C2)ccn1 ZINC000765749414 656150543 /nfs/dbraw/zinc/15/05/43/656150543.db2.gz XVXJUJASZIPNLO-UHFFFAOYSA-N 1 0 390.281 2.941 20 0 GFADRO CC[N@@H+]1C[C@H](C)N(C(=O)C[C@](O)(c2nc(C)cs2)C(F)(F)F)C[C@H]1C ZINC000765925918 656154817 /nfs/dbraw/zinc/15/48/17/656154817.db2.gz RPFXQMJAGCBCPL-XUJVJEKNSA-N 1 0 379.448 2.533 20 0 GFADRO CC[N@@H+]1C[C@@H](C)N(C(=O)c2cn(-c3ccccc3Br)nn2)C[C@@H]1C ZINC000765934075 656155481 /nfs/dbraw/zinc/15/54/81/656155481.db2.gz XWHZJVWVJWPZFQ-QWHCGFSZSA-N 1 0 392.301 2.585 20 0 GFADRO C[C@@H](Cc1cccc(F)c1)[NH2+]CC1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000765934964 656155672 /nfs/dbraw/zinc/15/56/72/656155672.db2.gz IZPJYLSKSUEYBC-LBPRGKRZSA-N 1 0 382.423 2.908 20 0 GFADRO CS[C@@H]1CC[C@@H]([NH2+][C@H](C)c2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 ZINC000766225128 656165679 /nfs/dbraw/zinc/16/56/79/656165679.db2.gz QUSRNMCAVPGSOP-DJIMGWMZSA-N 1 0 384.567 2.642 20 0 GFADRO CS[C@H]1CN(S(=O)(=O)c2ccc3nc(Cl)sc3c2)C[C@H]1[NH+](C)C ZINC000767315055 656199432 /nfs/dbraw/zinc/19/94/32/656199432.db2.gz KNIFQESQPYWPRC-YPMHNXCESA-N 1 0 391.971 2.616 20 0 GFADRO CC(C)[C@H]([NH3+])CNC(=O)Nc1cnc(Br)c(Br)c1 ZINC000841141700 661236864 /nfs/dbraw/zinc/23/68/64/661236864.db2.gz HRYWBCVFHDKNSZ-SECBINFHSA-N 1 0 380.084 2.711 20 0 GFADRO COc1cc(S(=O)(=O)NC2CCC([NH+]3CCCCC3)CC2)cnc1Cl ZINC000767810150 656220546 /nfs/dbraw/zinc/22/05/46/656220546.db2.gz DISJHVKAQHJPML-UHFFFAOYSA-N 1 0 387.933 2.819 20 0 GFADRO CSc1nc2ccc(NC(=O)C(=O)N3CCC[C@H]([C@@H](C)[NH3+])C3)cc2s1 ZINC000841180253 661241939 /nfs/dbraw/zinc/24/19/39/661241939.db2.gz ZBZWESMQXASXHE-MNOVXSKESA-N 1 0 378.523 2.543 20 0 GFADRO Cc1nc(Br)sc1C(=O)N1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000841158647 661239777 /nfs/dbraw/zinc/23/97/77/661239777.db2.gz XBJUVWJMCDGGCW-IJLUTSLNSA-N 1 0 388.331 2.538 20 0 GFADRO O=C(NC[C@H]1CCCC[NH2+]1)C(=O)Nc1cccc(Cl)c1SC(F)F ZINC000841159784 661240016 /nfs/dbraw/zinc/24/00/16/661240016.db2.gz MHONVLBOMXVNBY-SECBINFHSA-N 1 0 377.844 2.852 20 0 GFADRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2Cn2c3ccc(Br)cc3oc2=O)C1 ZINC000768502302 656240657 /nfs/dbraw/zinc/24/06/57/656240657.db2.gz NDGYKAUETNLXIC-JSGCOSHPSA-N 1 0 380.286 2.731 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cc(=O)c2cc(Br)ccc2o1 ZINC000841186085 661242416 /nfs/dbraw/zinc/24/24/16/661242416.db2.gz AVHVSXSSHXPFLM-CHWSQXEVSA-N 1 0 391.265 2.912 20 0 GFADRO Cc1c(NC(=O)N[C@H]2C[NH2+]CCC2(F)F)cnc(Cl)c1Br ZINC000841193032 661243144 /nfs/dbraw/zinc/24/31/44/661243144.db2.gz VKHLLRUXKLAGAP-QMMMGPOBSA-N 1 0 383.624 2.925 20 0 GFADRO Cc1c(NC(=O)N[C@@H]2C[NH2+]CCC2(F)F)cnc(Cl)c1Br ZINC000841193031 661243187 /nfs/dbraw/zinc/24/31/87/661243187.db2.gz VKHLLRUXKLAGAP-MRVPVSSYSA-N 1 0 383.624 2.925 20 0 GFADRO CC[NH+]1CCN(Cc2ccc(CNC(=O)c3csc(Cl)n3)cc2)CC1 ZINC000769694190 656286212 /nfs/dbraw/zinc/28/62/12/656286212.db2.gz MBKSVPAAIUCSDC-UHFFFAOYSA-N 1 0 378.929 2.864 20 0 GFADRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)c2nccn3c(Br)cnc23)C1 ZINC000769701814 656286456 /nfs/dbraw/zinc/28/64/56/656286456.db2.gz QGZZEUQFVKADLW-STQMWFEESA-N 1 0 394.317 2.590 20 0 GFADRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)Nc1cc(C(F)(F)F)cc(Br)n1 ZINC000841241121 661247920 /nfs/dbraw/zinc/24/79/20/661247920.db2.gz DKUYHJKBXCNTPE-APPZFPTMSA-N 1 0 381.196 2.982 20 0 GFADRO COc1ccc(C(=O)OCC[NH+]2CCCCC2)c(I)c1 ZINC000770405804 656318495 /nfs/dbraw/zinc/31/84/95/656318495.db2.gz NBTBPYKBQOVBRJ-UHFFFAOYSA-N 1 0 389.233 2.943 20 0 GFADRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)c1cccnc1I ZINC000770491156 656321116 /nfs/dbraw/zinc/32/11/16/656321116.db2.gz VQOYZBKMTMFOOU-LBPRGKRZSA-N 1 0 387.265 2.681 20 0 GFADRO Cc1ccc(S(=O)(=O)NCC[NH2+]Cc2ccc3c(c2)CC(C)(C)O3)s1 ZINC000771999780 656370050 /nfs/dbraw/zinc/37/00/50/656370050.db2.gz BUIRIRGHKXOLKS-UHFFFAOYSA-N 1 0 380.535 2.838 20 0 GFADRO CC[C@@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1ccc2nc(Cl)cnc2c1 ZINC000772941045 656394370 /nfs/dbraw/zinc/39/43/70/656394370.db2.gz YXTAAIBIYNVOIN-CYBMUJFWSA-N 1 0 382.917 2.826 20 0 GFADRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)c1cc(C(F)(F)F)cc(Cl)n1 ZINC000774099327 656491854 /nfs/dbraw/zinc/49/18/54/656491854.db2.gz FNZODEOKUWYGNB-SNVBAGLBSA-N 1 0 379.810 2.671 20 0 GFADRO C[NH+](C)C[C@@H](Cc1ccccc1)NS(=O)(=O)c1cccc2scnc21 ZINC000841479251 661269828 /nfs/dbraw/zinc/26/98/28/661269828.db2.gz OXFYPLZSUIKCPP-OAHLLOKOSA-N 1 0 375.519 2.748 20 0 GFADRO FC(F)(F)CNC(=S)NCCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000774566386 656537558 /nfs/dbraw/zinc/53/75/58/656537558.db2.gz OSGRVJMJLLGQTF-UHFFFAOYSA-N 1 0 375.460 2.730 20 0 GFADRO COc1ccccc1[C@H](O)C[NH2+]C[C@@H](O)c1ccc(F)c(Br)c1 ZINC000774608143 656540418 /nfs/dbraw/zinc/54/04/18/656540418.db2.gz GLYBMMZISIJAHQ-HZPDHXFCSA-N 1 0 384.245 2.953 20 0 GFADRO Cc1cc(N2CC[C@@H]([NH2+]Cc3cc(C)cc(Br)c3)C2=O)n(C)n1 ZINC000775004356 656585138 /nfs/dbraw/zinc/58/51/38/656585138.db2.gz BVERVHUUZSNEBB-OAHLLOKOSA-N 1 0 377.286 2.695 20 0 GFADRO CS(=O)(=O)[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](O)c1ccc(OC(F)(F)F)cc1 ZINC000775380421 656634720 /nfs/dbraw/zinc/63/47/20/656634720.db2.gz INEUFVURXAGRFN-RRFJBIMHSA-N 1 0 381.416 2.564 20 0 GFADRO CC(C)N(CCC[NH2+][C@H]1CCCC[C@H]1S(C)(=O)=O)C(=O)OC(C)(C)C ZINC000775385607 656635621 /nfs/dbraw/zinc/63/56/21/656635621.db2.gz MCQLLIVDKDGRSM-JKSUJKDBSA-N 1 0 376.563 2.967 20 0 GFADRO CCNS(=O)(=O)CC[NH2+][C@@H]1c2cc(Br)ccc2SC[C@@H]1C ZINC000775407890 656637233 /nfs/dbraw/zinc/63/72/33/656637233.db2.gz QWYIQPACNJMKGL-HZMBPMFUSA-N 1 0 393.372 2.761 20 0 GFADRO COCCS(=O)(=O)CCC[NH2+][C@H](C)c1ccc(F)c(Br)c1 ZINC000775396002 656637296 /nfs/dbraw/zinc/63/72/96/656637296.db2.gz OQQYYCQTWKHELQ-LLVKDONJSA-N 1 0 382.295 2.690 20 0 GFADRO Cc1nn(CC(=O)OC(C)C)c(C)c1C[NH2+][C@@H]1CC[C@@H]2SCCS[C@H]12 ZINC000776256234 656724399 /nfs/dbraw/zinc/72/43/99/656724399.db2.gz NRRDYSFGNCPSNG-SOLBZPMBSA-N 1 0 383.583 2.921 20 0 GFADRO C[N@H+](CC1CC1)C[C@@H]1CCN(S(=O)(=O)c2c(Cl)ccnc2Cl)C1 ZINC000778011638 656852436 /nfs/dbraw/zinc/85/24/36/656852436.db2.gz ADUSNQGKPVVEEC-LBPRGKRZSA-N 1 0 378.325 2.741 20 0 GFADRO CS(=O)(=O)N1CC(C[NH2+][C@@H]2CCC[C@@H]2c2ccccc2C(F)(F)F)C1 ZINC000779078807 656898716 /nfs/dbraw/zinc/89/87/16/656898716.db2.gz XIDOURGKBGCRCS-GDBMZVCRSA-N 1 0 376.444 2.823 20 0 GFADRO O=C(NOCc1ccc(F)cc1Br)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000780307345 656997461 /nfs/dbraw/zinc/99/74/61/656997461.db2.gz IEAKYWOLWQHJOE-GJZGRUSLSA-N 1 0 386.265 2.946 20 0 GFADRO CS[C@H]1CN(C(=O)c2cn(C(C)(C)C)nc2Br)C[C@@H]1[NH+](C)C ZINC000780676185 657022713 /nfs/dbraw/zinc/02/27/13/657022713.db2.gz ZSRCBVJGNOHSRO-RYUDHWBXSA-N 1 0 389.363 2.518 20 0 GFADRO C[C@H](CNS(=O)(=O)c1ccc(OCC(F)(F)F)cc1)[NH+]1CCCCC1 ZINC000780715304 657024707 /nfs/dbraw/zinc/02/47/07/657024707.db2.gz ITJIPEOSSFYBNN-CYBMUJFWSA-N 1 0 380.432 2.780 20 0 GFADRO CC(C)OCC[NH+]1CCC(NS(=O)(=O)c2cccc(C(F)F)c2)CC1 ZINC000780807692 657030464 /nfs/dbraw/zinc/03/04/64/657030464.db2.gz RLXSEVHISJOFSV-UHFFFAOYSA-N 1 0 376.469 2.792 20 0 GFADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1Cn1nc(C(F)(F)F)sc1=S ZINC000782914713 657192566 /nfs/dbraw/zinc/19/25/66/657192566.db2.gz WLUCTJPZYMWLNP-SNVBAGLBSA-N 1 0 382.477 2.835 20 0 GFADRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1Cc1ccccc1I ZINC000783700010 657252500 /nfs/dbraw/zinc/25/25/00/657252500.db2.gz BCJRMOWKBQKELO-ZDUSSCGKSA-N 1 0 388.293 2.568 20 0 GFADRO CC[NH+]1CCN([C@H](C)CNC(=S)Nc2ccc(Br)cc2)CC1 ZINC000783726554 657255433 /nfs/dbraw/zinc/25/54/33/657255433.db2.gz HSSDIFUCISBKOG-CYBMUJFWSA-N 1 0 385.375 2.762 20 0 GFADRO COc1cc(Br)ccc1CCC[N@@H+]1CCN2C(=O)OCC[C@@H]2C1 ZINC000784222871 657296306 /nfs/dbraw/zinc/29/63/06/657296306.db2.gz QOJSDTNXKBCFLJ-OAHLLOKOSA-N 1 0 383.286 2.917 20 0 GFADRO O[C@@H](C[NH+]1CCC(Oc2cnccn2)CC1)c1ccc(Br)cc1 ZINC000785901211 657393713 /nfs/dbraw/zinc/39/37/13/657393713.db2.gz ZSIVKADLVKUYLN-INIZCTEOSA-N 1 0 378.270 2.816 20 0 GFADRO CC(C)(C)OC(=O)NC[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(S(C)(=O)=O)s1 ZINC000786958963 657496125 /nfs/dbraw/zinc/49/61/25/657496125.db2.gz OQLZYKARUJNFBY-OCCSQVGLSA-N 1 0 388.555 2.935 20 0 GFADRO COC(=O)[C@@H]1CC[N@H+](Cn2nc(-c3ccc(Br)cc3)nc2C)[C@H]1C ZINC000787239360 657531816 /nfs/dbraw/zinc/53/18/16/657531816.db2.gz NOBJMIWCAWWKHB-XHDPSFHLSA-N 1 0 393.285 2.857 20 0 GFADRO C[N@@H+]1CCC[C@H](N2CCN(Cc3ccc(Cl)nc3C(F)(F)F)CC2)C1 ZINC000787264938 657533637 /nfs/dbraw/zinc/53/36/37/657533637.db2.gz OHZDVMJSFXFQEN-AWEZNQCLSA-N 1 0 376.854 2.966 20 0 GFADRO C[C@@H]([NH2+]CCOCC(F)(F)C(F)(F)F)c1cccc(NS(C)(=O)=O)c1 ZINC000787295696 657540334 /nfs/dbraw/zinc/54/03/34/657540334.db2.gz ZMQOVXPHYNXVEP-SNVBAGLBSA-N 1 0 390.374 2.923 20 0 GFADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000787683030 657586978 /nfs/dbraw/zinc/58/69/78/657586978.db2.gz GVAYXUKAZNCFJV-PXAZEXFGSA-N 1 0 387.307 2.739 20 0 GFADRO COc1cc(C(=O)N[C@H](C)C[NH+]2C[C@@H](C)C[C@H](C)C2)cnc1Br ZINC000788173547 657666843 /nfs/dbraw/zinc/66/68/43/657666843.db2.gz DYFLSRQDLPRWJZ-RWMBFGLXSA-N 1 0 384.318 2.949 20 0 GFADRO Cc1ccc(NS(=O)(=O)c2cc(Cl)cc(C(N)=O)c2)c(C[NH+](C)C)c1 ZINC000788219935 657674969 /nfs/dbraw/zinc/67/49/69/657674969.db2.gz FKENGILJIIRYEB-UHFFFAOYSA-N 1 0 381.885 2.610 20 0 GFADRO C[C@@H]1CCC[N@@H+]1CCNCc1ccc(Br)cc1N1CCOCC1 ZINC000788963806 657804072 /nfs/dbraw/zinc/80/40/72/657804072.db2.gz JHWVFSASQGGSAR-OAHLLOKOSA-N 1 0 382.346 2.860 20 0 GFADRO O=c1c(Br)nn(C[N@@H+]2CCC[C@@H]2[C@@H]2CCCO2)c2ccccc12 ZINC000789508263 657857543 /nfs/dbraw/zinc/85/75/43/657857543.db2.gz QHYFRQMFXYGXCS-CABCVRRESA-N 1 0 378.270 2.760 20 0 GFADRO O=C(Nc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)c1nc(Cl)cs1 ZINC000789947959 657902542 /nfs/dbraw/zinc/90/25/42/657902542.db2.gz GRCIBKXFGCOIPV-UHFFFAOYSA-N 1 0 378.885 2.874 20 0 GFADRO Ic1cccc(C[NH2+]Cc2ccc(-n3cncn3)nc2)c1 ZINC000790517764 657995355 /nfs/dbraw/zinc/99/53/55/657995355.db2.gz LUFDWEIESNQKDC-UHFFFAOYSA-N 1 0 391.216 2.557 20 0 GFADRO CC(C)(C)[C@@H](O)C[C@H](CO)[NH2+]Cc1ccccc1I ZINC000790618901 658003280 /nfs/dbraw/zinc/00/32/80/658003280.db2.gz JWTHVWAZWJUKTQ-OCCSQVGLSA-N 1 0 377.266 2.539 20 0 GFADRO C[NH+](C)C1(C(=O)NCc2nc(-c3cccc(Br)c3)no2)CCC1 ZINC000791168797 658063819 /nfs/dbraw/zinc/06/38/19/658063819.db2.gz RFQAWKABILTXFF-UHFFFAOYSA-N 1 0 379.258 2.600 20 0 GFADRO C[NH+](C)CCCOC(=O)c1cc(Br)cc(Br)c1N ZINC000791627453 658145949 /nfs/dbraw/zinc/14/59/49/658145949.db2.gz APRHLCGPOKKSPS-UHFFFAOYSA-N 1 0 380.080 2.902 20 0 GFADRO Cc1c(Br)ccc(C(=O)OCCCN2CC[NH+](C(C)C)CC2)c1N ZINC000791963004 658211094 /nfs/dbraw/zinc/21/10/94/658211094.db2.gz IOLMBEWLXWEEQK-UHFFFAOYSA-N 1 0 398.345 2.913 20 0 GFADRO C[NH+](C)CCN(Cc1ccccn1)C(=O)c1nc(Br)ccc1F ZINC000792149092 658240078 /nfs/dbraw/zinc/24/00/78/658240078.db2.gz VXKZGQPCFVZUBO-UHFFFAOYSA-N 1 0 381.249 2.582 20 0 GFADRO Cc1nc(SC(F)F)sc1CC(=O)NCC1([NH+](C)C)CCOCC1 ZINC000793509186 658401093 /nfs/dbraw/zinc/40/10/93/658401093.db2.gz KQODSYXTELQPFS-UHFFFAOYSA-N 1 0 379.498 2.536 20 0 GFADRO NC(=O)[C@@H]([NH2+][C@@H]1CCc2ccccc2OC1)c1cccc(Br)c1 ZINC000794826244 658618297 /nfs/dbraw/zinc/61/82/97/658618297.db2.gz BIKROGQFKZFMFB-WBVHZDCISA-N 1 0 375.266 2.959 20 0 GFADRO CCS(=O)(=O)N1CCC([NH2+]Cc2c(Cl)nc3cc(Cl)ccn32)CC1 ZINC000796264308 658909387 /nfs/dbraw/zinc/90/93/87/658909387.db2.gz NONCPHXPQGIOOS-UHFFFAOYSA-N 1 0 391.324 2.545 20 0 GFADRO CC(C)([NH2+]C[C@H](O)COc1ccc(Cl)c(Cl)c1)C(=O)N1CCCC1 ZINC000796580028 658924389 /nfs/dbraw/zinc/92/43/89/658924389.db2.gz MTJSELHHFIWVMU-LBPRGKRZSA-N 1 0 375.296 2.724 20 0 GFADRO CC(C)([NH2+]C[C@H](O)COc1c(Cl)cccc1Cl)C(=O)N1CCCC1 ZINC000796591198 658925676 /nfs/dbraw/zinc/92/56/76/658925676.db2.gz BOAWIGLFWSMHRG-LBPRGKRZSA-N 1 0 375.296 2.724 20 0 GFADRO O=S(=O)(N1CCC([NH2+][C@@H](c2cncc(F)c2)C2CC2)CC1)C(F)(F)F ZINC000798930776 659158093 /nfs/dbraw/zinc/15/80/93/659158093.db2.gz ZANGFJMZUSMBCP-CQSZACIVSA-N 1 0 381.395 2.575 20 0 GFADRO C[NH+](C)C1(C(=O)N2CCN(Cc3cc(Br)ccc3F)CC2)CCC1 ZINC000799058899 659162254 /nfs/dbraw/zinc/16/22/54/659162254.db2.gz GTKVLRZGIDDIST-UHFFFAOYSA-N 1 0 398.320 2.717 20 0 GFADRO CC[C@H](c1ccc(Br)cc1)N1CC[NH+](CCC(=O)N(C)OC)CC1 ZINC000799119283 659165657 /nfs/dbraw/zinc/16/56/57/659165657.db2.gz BSVNUSJAVCEFTI-QGZVFWFLSA-N 1 0 398.345 2.928 20 0 GFADRO C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)N1CCC=C(Br)C1 ZINC000799327714 659182066 /nfs/dbraw/zinc/18/20/66/659182066.db2.gz YMSUMGYEWYWGFL-QAPCUYQASA-N 1 0 392.341 2.750 20 0 GFADRO CC[NH+]1CCN(c2ccc(C(=O)N3CCC=C(Br)C3)cc2)CC1 ZINC000799737753 659219208 /nfs/dbraw/zinc/21/92/08/659219208.db2.gz KVLGWWYFMNUSIG-UHFFFAOYSA-N 1 0 378.314 2.953 20 0 GFADRO CCC[N@@H+]1CC[C@H](CNC(=O)NC[C@H](O)c2cccc(Br)c2)C1 ZINC000799938726 659247805 /nfs/dbraw/zinc/24/78/05/659247805.db2.gz FXOUQHQDXQSYAY-CJNGLKHVSA-N 1 0 384.318 2.514 20 0 GFADRO O=C(OCCC[NH+]1CCCCC1)c1ccccc1S(=O)(=O)CC(F)F ZINC000800166335 659283928 /nfs/dbraw/zinc/28/39/28/659283928.db2.gz NLBKBHNDQOQFCY-UHFFFAOYSA-N 1 0 375.437 2.758 20 0 GFADRO CC[NH+](CC)CCCOC(=O)c1ccc(Br)cc1-n1cncn1 ZINC000800190998 659288703 /nfs/dbraw/zinc/28/87/03/659288703.db2.gz RINGRROTHRNGKR-UHFFFAOYSA-N 1 0 381.274 2.919 20 0 GFADRO C[NH+](C)Cc1cccc(C(=O)NC[C@H](O)c2cccc(Br)c2)c1 ZINC000800585849 659320435 /nfs/dbraw/zinc/32/04/35/659320435.db2.gz BQFKYJJYCUBENL-KRWDZBQOSA-N 1 0 377.282 2.974 20 0 GFADRO Cc1nn(C)c(Br)c1C(=O)NC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000800886292 659343526 /nfs/dbraw/zinc/34/35/26/659343526.db2.gz CBKRSISYNHRSJO-GFCCVEGCSA-N 1 0 379.302 2.741 20 0 GFADRO CC(C)[NH+]1CCC(N(C)S(=O)(=O)c2cc3c(cc2Cl)CCC3=O)CC1 ZINC000800895889 659344706 /nfs/dbraw/zinc/34/47/06/659344706.db2.gz OERYHPRVGGEJRU-UHFFFAOYSA-N 1 0 384.929 2.962 20 0 GFADRO CC(C)[N@@H+]1CCO[C@H](COC(=O)C2=Cc3cc(Br)ccc3OC2)C1 ZINC000802139841 659448832 /nfs/dbraw/zinc/44/88/32/659448832.db2.gz BWXDFHQYLXTSHT-INIZCTEOSA-N 1 0 396.281 2.877 20 0 GFADRO CC(C)[N@@H+]1CCO[C@@H](COC(=O)COc2ccc(F)cc2Br)C1 ZINC000802137756 659448891 /nfs/dbraw/zinc/44/88/91/659448891.db2.gz VOFDVGFORYGOLC-CYBMUJFWSA-N 1 0 390.249 2.619 20 0 GFADRO C[NH+](C)C[C@@H](NC(=O)C(=O)Nc1cccnc1Cl)c1ccc(Cl)cc1 ZINC000802634468 659491436 /nfs/dbraw/zinc/49/14/36/659491436.db2.gz OQEGDZOIIKBJSG-CQSZACIVSA-N 1 0 381.263 2.746 20 0 GFADRO Cc1cc(C[NH2+]CCNS(=O)(=O)c2ccc(F)cc2Cl)cc(Cl)n1 ZINC000802656179 659492784 /nfs/dbraw/zinc/49/27/84/659492784.db2.gz LNHJTRUKADATMC-UHFFFAOYSA-N 1 0 392.283 2.904 20 0 GFADRO CN(c1ccc(OCC[NH+](C)C)cc1)S(=O)(=O)c1cnc(Cl)c(F)c1 ZINC000804997747 659710465 /nfs/dbraw/zinc/71/04/65/659710465.db2.gz QORAGYYWOJZKNE-UHFFFAOYSA-N 1 0 387.864 2.640 20 0 GFADRO CS[C@H]1CN(C(=O)c2nc(Br)sc2C2CC2)C[C@@H]1[NH+](C)C ZINC000807166943 659848789 /nfs/dbraw/zinc/84/87/89/659848789.db2.gz PBXMVBOPDBKDGQ-UWVGGRQHSA-N 1 0 390.372 2.901 20 0 GFADRO C[NH+](C)C[C@@H](NC(=O)c1ccc(C(N)=O)c(Cl)n1)c1ccc(Cl)cc1 ZINC000807490032 659857159 /nfs/dbraw/zinc/85/71/59/659857159.db2.gz NFPIPCNVBKGPSX-CQSZACIVSA-N 1 0 381.263 2.520 20 0 GFADRO CN(CC(F)(F)Br)C(=O)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000807862438 659867662 /nfs/dbraw/zinc/86/76/62/659867662.db2.gz AJCYXYUXQUAYKF-ZDUSSCGKSA-N 1 0 376.245 2.740 20 0 GFADRO O=S1(=O)CCC[C@H](C[NH2+]Cc2nc3ccc(Br)cc3s2)C1 ZINC000808427446 659893734 /nfs/dbraw/zinc/89/37/34/659893734.db2.gz RWPRRBJJDMLIRW-SNVBAGLBSA-N 1 0 389.340 2.973 20 0 GFADRO C[C@](O)(C[NH2+]Cc1ccc(S(N)(=O)=O)c(Cl)c1)c1ccccc1Cl ZINC000809425107 659927544 /nfs/dbraw/zinc/92/75/44/659927544.db2.gz GLESKJWXBNPMJD-INIZCTEOSA-N 1 0 389.304 2.638 20 0 GFADRO CC(C)(C)OC(=O)N(CC[NH2+][C@H]1CCC[C@@H](S(C)(=O)=O)C1)C(C)(C)C ZINC000809622350 659934281 /nfs/dbraw/zinc/93/42/81/659934281.db2.gz ZCBOYFLJMPGGTD-LSDHHAIUSA-N 1 0 376.563 2.967 20 0 GFADRO C[C@H](O)c1ncc(C[NH2+]C[C@H](CO)Cc2ccc(Br)cc2)s1 ZINC000809654143 659935484 /nfs/dbraw/zinc/93/54/84/659935484.db2.gz SHLHBBOMSWLCFH-WCQYABFASA-N 1 0 385.327 2.900 20 0 GFADRO COC(=O)[C@]12C[N@H+](Cc3c(Cl)nc4cc(Cl)ccn43)C[C@H]1COCC2 ZINC000809657362 659935724 /nfs/dbraw/zinc/93/57/24/659935724.db2.gz CHBIOTHPQJLIDJ-APPDUMDISA-N 1 0 384.263 2.653 20 0 GFADRO COC(=O)c1ccc(C[NH2+]CC2CCN(C(=O)OC)CC2)c(Br)c1 ZINC000809709428 659936795 /nfs/dbraw/zinc/93/67/95/659936795.db2.gz CKVWGRYRUDKIKM-UHFFFAOYSA-N 1 0 399.285 2.804 20 0 GFADRO CC[NH+](CC)CCS(=O)(=O)NCC[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC000810074811 659959510 /nfs/dbraw/zinc/95/95/10/659959510.db2.gz ZSTVILVWEZNUJQ-OAHLLOKOSA-N 1 0 383.341 2.678 20 0 GFADRO COC(=O)CS(=O)(=O)Cc1ccc(C[NH2+]Cc2ccc(SC)s2)cc1 ZINC000810147425 659964636 /nfs/dbraw/zinc/96/46/36/659964636.db2.gz FIQXZRTVPHIDMS-UHFFFAOYSA-N 1 0 399.559 2.848 20 0 GFADRO CCC[N@H+](CC)C[C@@H](C)NC(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000810147744 659964736 /nfs/dbraw/zinc/96/47/36/659964736.db2.gz QQLUHGGIOGRZPF-GFCCVEGCSA-N 1 0 377.457 2.925 20 0 GFADRO Cc1ccc(Br)cc1C(=O)O[C@H]1CCCN(c2cc[nH+]c(N)n2)C1 ZINC000810760793 659985044 /nfs/dbraw/zinc/98/50/44/659985044.db2.gz CIZPMUGKXLKLGV-ZDUSSCGKSA-N 1 0 391.269 2.956 20 0 GFADRO CC(C)(C)OC(=O)NC[C@](C)(O)C[NH2+]Cc1ccc(Br)s1 ZINC000811811374 660015874 /nfs/dbraw/zinc/01/58/74/660015874.db2.gz ATRQTEFDZIERQT-CQSZACIVSA-N 1 0 379.320 2.876 20 0 GFADRO CCC[N@H+](CC)C[C@H](C)Nc1nc(CS(C)(=O)=O)nc(Cl)c1CC ZINC000811869078 660017105 /nfs/dbraw/zinc/01/71/05/660017105.db2.gz CARMMZDBXKEIKC-LBPRGKRZSA-N 1 0 376.954 2.769 20 0 GFADRO CCCC[N@H+](C)C[C@@H](C)NC(=O)NC[C@H](O)c1cccc(Br)c1 ZINC000811930536 660017975 /nfs/dbraw/zinc/01/79/75/660017975.db2.gz VMEPGJMEZOFMGL-CJNGLKHVSA-N 1 0 386.334 2.902 20 0 GFADRO O=S(=O)(NC1CC[NH+](C[C@H]2CCCO2)CC1)c1ccc(C(F)(F)F)s1 ZINC000812500099 660028052 /nfs/dbraw/zinc/02/80/52/660028052.db2.gz RJLUJTIDEIVJMV-GFCCVEGCSA-N 1 0 398.472 2.689 20 0 GFADRO CSC1(CNC(=O)N2CCC(C)=C(Br)C2)CC[NH+](C)CC1 ZINC000812549057 660030002 /nfs/dbraw/zinc/03/00/02/660030002.db2.gz DVGOMNXPCFIFLM-UHFFFAOYSA-N 1 0 376.364 2.898 20 0 GFADRO C[C@@H]1CN(S(=O)(=O)c2c(Cl)ccnc2Cl)CC[N@@H+](C2CCC2)C1 ZINC000813752819 660063002 /nfs/dbraw/zinc/06/30/02/660063002.db2.gz YNACAEZCIVZJDJ-NSHDSACASA-N 1 0 378.325 2.883 20 0 GFADRO C[C@](O)(C[NH2+][C@H]1CCCC[C@H]1C(N)=O)c1ccc(Br)cc1Cl ZINC000815089271 660111338 /nfs/dbraw/zinc/11/13/38/660111338.db2.gz BTYIVBCTWWWPGV-WPGHFRTFSA-N 1 0 389.721 2.944 20 0 GFADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1CNc1cc2c(c[nH+]1)CCC2 ZINC000815159209 660114990 /nfs/dbraw/zinc/11/49/90/660114990.db2.gz MFCOKLGAEJBEJO-CQSZACIVSA-N 1 0 380.901 2.700 20 0 GFADRO Cn1c(=O)oc2cc(C[NH2+][C@](C)(CO)c3ccc(Br)cc3)ccc21 ZINC000816607832 660162496 /nfs/dbraw/zinc/16/24/96/660162496.db2.gz HFLDUWREXRJQRQ-GOSISDBHSA-N 1 0 391.265 2.891 20 0 GFADRO Cn1ncc(CN(Cc2ccccc2Br)C2CC[NH+](C)CC2)n1 ZINC000816615182 660162814 /nfs/dbraw/zinc/16/28/14/660162814.db2.gz POGOEJVFYBYFJM-UHFFFAOYSA-N 1 0 378.318 2.674 20 0 GFADRO O=C(NCCc1ccc(Br)cc1F)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000841795704 661313967 /nfs/dbraw/zinc/31/39/67/661313967.db2.gz VRGAHGWMHFYMFW-GZBFAFLISA-N 1 0 384.293 2.818 20 0 GFADRO CN(C(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1)C1CCC([NH3+])CC1 ZINC000841887067 661317192 /nfs/dbraw/zinc/31/71/92/661317192.db2.gz CRPVCYGTPPCYKX-HWOWSKLDSA-N 1 0 395.345 2.939 20 0 GFADRO CN(C[C@H](O)c1ccccc1Br)C(=O)NCC1([NH3+])CCCCC1 ZINC000841922787 661317685 /nfs/dbraw/zinc/31/76/85/661317685.db2.gz RRXGXOYXAQDPGZ-HNNXBMFYSA-N 1 0 384.318 2.786 20 0 GFADRO O=C(NCCC[NH2+]C1CC1)N1CCO[C@H](c2ccccc2Br)C1 ZINC000841918676 661317785 /nfs/dbraw/zinc/31/77/85/661317785.db2.gz UALGIFOAQXOCKA-INIZCTEOSA-N 1 0 382.302 2.674 20 0 GFADRO C[C@@H](CNC(=O)C(=O)N(C)C1CCC([NH3+])CC1)c1c(Cl)cccc1Cl ZINC000842186567 661326350 /nfs/dbraw/zinc/32/63/50/661326350.db2.gz IESJXBPHLXAGOJ-HIFPTAJRSA-N 1 0 386.323 2.941 20 0 GFADRO CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)c2cc(S(C)(=O)=O)ccc2Cl)CC1 ZINC000842514596 661342807 /nfs/dbraw/zinc/34/28/07/661342807.db2.gz YWGSEGJXSAVEHM-MRXNPFEDSA-N 1 0 384.929 2.594 20 0 GFADRO C[NH2+]C[C@H](C)c1noc([C@H]2CC(=O)N(c3ccccc3Br)C2)n1 ZINC000842579173 661344159 /nfs/dbraw/zinc/34/41/59/661344159.db2.gz LVHHFSHQIJEMMU-QWRGUYRKSA-N 1 0 379.258 2.676 20 0 GFADRO O=C1C[C@@H](c2nc([C@H]3CCC[NH2+]C3)no2)CN1c1ccccc1Br ZINC000842665493 661348163 /nfs/dbraw/zinc/34/81/63/661348163.db2.gz PCJXPNVZYUQPHB-NWDGAFQWSA-N 1 0 391.269 2.820 20 0 GFADRO COc1ccc2nc(Cl)ccc2c1S(=O)(=O)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000842699891 661349754 /nfs/dbraw/zinc/34/97/54/661349754.db2.gz RYPGRFNXPWCLFZ-NEPJUHHUSA-N 1 0 383.901 2.563 20 0 GFADRO CC(C)COC[C@@H](O)C[NH2+]C[C@@](C)(O)c1ccc(Br)cc1Cl ZINC000843064360 661365743 /nfs/dbraw/zinc/36/57/43/661365743.db2.gz ADMZNWJQSGDMFI-XJKSGUPXSA-N 1 0 394.737 2.933 20 0 GFADRO C[C@@](O)(C[NH2+]C[C@H](O)C(F)(F)F)c1ccc(Br)cc1Cl ZINC000843062957 661365822 /nfs/dbraw/zinc/36/58/22/661365822.db2.gz OUCMRSHJPOWZRB-WDEREUQCSA-N 1 0 376.600 2.823 20 0 GFADRO COc1cccc([C@H](O)C[NH2+]C[C@H](O)c2ccc(F)c(Br)c2)c1 ZINC000843068291 661366188 /nfs/dbraw/zinc/36/61/88/661366188.db2.gz LYBFAKQYEZRTKY-SJORKVTESA-N 1 0 384.245 2.953 20 0 GFADRO C[C@@](O)(C[NH2+][C@@H](CO)Cc1ccccc1)c1ccc(Br)cc1F ZINC000843073300 661366350 /nfs/dbraw/zinc/36/63/50/661366350.db2.gz RWWLUONOXFHPKD-CRAIPNDOSA-N 1 0 382.273 2.989 20 0 GFADRO CC(C)(C)OC(=O)NC[C@H](O)C[NH2+]C[C@H](O)c1ccc(Cl)cc1Cl ZINC000843074545 661366542 /nfs/dbraw/zinc/36/65/42/661366542.db2.gz HIEQKVBUGJUWQY-RISCZKNCSA-N 1 0 379.284 2.502 20 0 GFADRO Cc1ccccc1[C@H](O)C[NH2+]CCS(=O)(=O)c1cccc(Br)c1 ZINC000843074890 661366576 /nfs/dbraw/zinc/36/65/76/661366576.db2.gz PMDMHICEMMAQCI-QGZVFWFLSA-N 1 0 398.322 2.854 20 0 GFADRO CC(C)(C)OC(=O)NC[C@@](C)(O)C[NH2+]C[C@H](O)c1ccc(Cl)cc1Cl ZINC000843075779 661366761 /nfs/dbraw/zinc/36/67/61/661366761.db2.gz OZXQABHOGDGGCQ-YOEHRIQHSA-N 1 0 393.311 2.892 20 0 GFADRO OC[C@@H](Cc1ccc(F)cc1)[NH2+]C[C@@H](O)c1ccc(F)c(Br)c1 ZINC000843097430 661367694 /nfs/dbraw/zinc/36/76/94/661367694.db2.gz ZEOCJUYAGNVBTA-RHSMWYFYSA-N 1 0 386.236 2.954 20 0 GFADRO O[C@@H](C[NH2+]C[C@H](O)COCc1cccs1)c1ccccc1Br ZINC000843096500 661367730 /nfs/dbraw/zinc/36/77/30/661367730.db2.gz TXXHTPKMTQPPKC-LRDDRELGSA-N 1 0 386.311 2.711 20 0 GFADRO COc1ccc([C@H](CO)C[NH2+]C[C@@H](O)c2ccccc2Br)cc1 ZINC000843098132 661367949 /nfs/dbraw/zinc/36/79/49/661367949.db2.gz VBWTXYOSEDXZTI-KBXCAEBGSA-N 1 0 380.282 2.857 20 0 GFADRO Cc1nc2c(n1CCO)CC[C@H]([NH2+]C[C@@H](O)c1ccc(Cl)cc1Cl)C2 ZINC000843111226 661368645 /nfs/dbraw/zinc/36/86/45/661368645.db2.gz FDBBBZGYWIJMJA-SCLBCKFNSA-N 1 0 384.307 2.671 20 0 GFADRO Cc1ccccc1OC[C@H](O)C[NH2+]C[C@@H](O)c1cccc(Br)c1 ZINC000843113574 661369220 /nfs/dbraw/zinc/36/92/20/661369220.db2.gz XRGWDXJOORCQOU-IAGOWNOFSA-N 1 0 380.282 2.820 20 0 GFADRO O[C@H](C[NH2+][C@H]1COc2ccccc2[C@H]1O)COc1ccc(Cl)cc1Cl ZINC000843116110 661369421 /nfs/dbraw/zinc/36/94/21/661369421.db2.gz MBBSJVUAIUENSF-HNJNHCNJSA-N 1 0 384.259 2.817 20 0 GFADRO Cc1c(Br)cccc1C[C@@H](CO)C[NH2+]C[C@H](O)c1ccc(F)cn1 ZINC000843117916 661369739 /nfs/dbraw/zinc/36/97/39/661369739.db2.gz WRYWIGWKQILIFO-ACJLOTCBSA-N 1 0 397.288 2.766 20 0 GFADRO COc1ccc(C[C@H](CO)C[NH2+]C[C@H](O)c2ccccc2)cc1Br ZINC000843118054 661369944 /nfs/dbraw/zinc/36/99/44/661369944.db2.gz ZTKIBZCOHJZPCJ-YJBOKZPZSA-N 1 0 394.309 2.932 20 0 GFADRO C[C@H](NC(=O)c1ccc(Br)s1)c1nc(CC2CC[NH2+]CC2)no1 ZINC000843132515 661370276 /nfs/dbraw/zinc/37/02/76/661370276.db2.gz CDCSLKUITNJEMR-VIFPVBQESA-N 1 0 399.314 2.927 20 0 GFADRO O=C1Nc2cc(Cl)ccc2S[C@H]1Cc1nc(CC2CC[NH2+]CC2)no1 ZINC000843133223 661370428 /nfs/dbraw/zinc/37/04/28/661370428.db2.gz PMYIQZDZRRFNJG-AWEZNQCLSA-N 1 0 378.885 2.921 20 0 GFADRO Ic1ccc(OCc2nc(C3CC[NH2+]CC3)no2)cc1 ZINC000843136972 661370580 /nfs/dbraw/zinc/37/05/80/661370580.db2.gz OQBGBBMXXJZQDY-UHFFFAOYSA-N 1 0 385.205 2.720 20 0 GFADRO Clc1ccc(O[C@@H]2CCOC2)c(-c2noc(C[C@H]3CSCC[NH2+]3)n2)c1 ZINC000843210227 661372881 /nfs/dbraw/zinc/37/28/81/661372881.db2.gz VZHLGPIXNBYDCA-QWHCGFSZSA-N 1 0 381.885 2.805 20 0 GFADRO COc1nc(-c2noc([C@@H]3C[NH2+]Cc4ccccc43)n2)ncc1Br ZINC000843213234 661373047 /nfs/dbraw/zinc/37/30/47/661373047.db2.gz RWVYPMUAQMPIQZ-LLVKDONJSA-N 1 0 388.225 2.533 20 0 GFADRO Fc1ccc(Br)cc1-c1noc(-c2cn(C3CC[NH2+]CC3)nn2)n1 ZINC000843234818 661374601 /nfs/dbraw/zinc/37/46/01/661374601.db2.gz JPUJFAYZUFAANG-UHFFFAOYSA-N 1 0 393.220 2.821 20 0 GFADRO [NH3+]C[C@@H]1CN(CC(=O)Nc2c(Cl)c(Cl)cc(Cl)c2Cl)CCO1 ZINC000843367351 661378879 /nfs/dbraw/zinc/37/88/79/661378879.db2.gz CQCMRCXAVGJAKI-SSDOTTSWSA-N 1 0 387.094 2.898 20 0 GFADRO O=C([C@H]1C[NH2+]CCC1(F)F)N1CCO[C@@H](c2ccccc2Br)C1 ZINC000843407228 661379993 /nfs/dbraw/zinc/37/99/93/661379993.db2.gz DTXKHJIELKSWAJ-TZMCWYRMSA-N 1 0 389.240 2.594 20 0 GFADRO O=C([C@@H]1C[NH2+]CCC1(F)F)N1CCO[C@@H](c2ccccc2Br)C1 ZINC000843407222 661380001 /nfs/dbraw/zinc/38/00/01/661380001.db2.gz DTXKHJIELKSWAJ-GXTWGEPZSA-N 1 0 389.240 2.594 20 0 GFADRO C[C@H](CNC(=O)CO[C@H]1CCC[NH2+]C1)Sc1ccc(Br)cc1 ZINC000843437197 661381676 /nfs/dbraw/zinc/38/16/76/661381676.db2.gz QHEMMOFXLOYEJC-OCCSQVGLSA-N 1 0 387.343 2.815 20 0 GFADRO COc1ccc(C(=O)Nc2cnn(C3CC[NH2+]CC3)c2)c(Br)c1 ZINC000843457285 661382110 /nfs/dbraw/zinc/38/21/10/661382110.db2.gz KJNSBBFXIGEASE-UHFFFAOYSA-N 1 0 379.258 2.831 20 0 GFADRO CS(=O)(=O)c1cc(C(=O)N2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)ccc1Cl ZINC000843481497 661382910 /nfs/dbraw/zinc/38/29/10/661382910.db2.gz JFIPDQRUCRZUNX-GJZGRUSLSA-N 1 0 384.929 2.595 20 0 GFADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1cc2c(cncc2Br)s1 ZINC000843778372 661392338 /nfs/dbraw/zinc/39/23/38/661392338.db2.gz ISNDOENQOGFLAP-GHMZBOCLSA-N 1 0 396.310 2.652 20 0 GFADRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)c1sccc1S(=O)(=O)C(F)F ZINC000843842425 661394245 /nfs/dbraw/zinc/39/42/45/661394245.db2.gz RNUXTOKQKYFNFV-JTQLQIEISA-N 1 0 380.482 2.547 20 0 GFADRO O=C(CCN1CCOCC1)Nc1cnc(-c2ccc(Br)s2)nc1 ZINC000844092172 661403929 /nfs/dbraw/zinc/40/39/29/661403929.db2.gz PBVBCEPGGPZLOY-UHFFFAOYSA-N 1 0 397.298 2.628 20 0 GFADRO O=S(=O)(NCCC[NH2+]Cc1cccnc1)c1ccc2nc(Cl)sc2c1 ZINC000844226766 661410068 /nfs/dbraw/zinc/41/00/68/661410068.db2.gz MMMIJQWWEMFYDN-UHFFFAOYSA-N 1 0 396.925 2.803 20 0 GFADRO CC(C)S(=O)(=O)CC[N@@H+]1CCC[C@H](C)[C@@H]1CCNC(=O)OC(C)(C)C ZINC000844399551 661418337 /nfs/dbraw/zinc/41/83/37/661418337.db2.gz CHKXGXNCUYFEOK-HOTGVXAUSA-N 1 0 376.563 2.825 20 0 GFADRO CC(C)S(=O)(=O)CCC[NH+]1CCC(CCNC(=O)OC(C)(C)C)CC1 ZINC000844442277 661420482 /nfs/dbraw/zinc/42/04/82/661420482.db2.gz HBFVUPQXVXKDHD-UHFFFAOYSA-N 1 0 376.563 2.827 20 0 GFADRO CSCCCNC(=S)N1CCO[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]21 ZINC000844581297 661429093 /nfs/dbraw/zinc/42/90/93/661429093.db2.gz VYIRWUIUIDOQDN-MSOLQXFVSA-N 1 0 379.595 2.589 20 0 GFADRO CC(C)[C@@H]1C[N@H+](C)CCN1CN1CC(c2ccc(Br)cc2)=CC1=O ZINC000844694671 661434367 /nfs/dbraw/zinc/43/43/67/661434367.db2.gz OBPPZQUTDWNSDQ-SFHVURJKSA-N 1 0 392.341 2.904 20 0 GFADRO COC(=O)[C@@]1(C)CCN(CN2CC(c3ccc(Br)cc3)=CC2=O)C1 ZINC000844697884 661435067 /nfs/dbraw/zinc/43/50/67/661435067.db2.gz SEAFZAPXXIFPFQ-SFHVURJKSA-N 1 0 393.281 2.517 20 0 GFADRO CCCOc1ccc(Br)cc1-c1noc([C@]23C[NH2+]C[C@H]2COC3)n1 ZINC000844915367 661449233 /nfs/dbraw/zinc/44/92/33/661449233.db2.gz OMBGRFWGBFPGCI-GTNSWQLSSA-N 1 0 394.269 2.775 20 0 GFADRO CC(C)C[N@H+](C)CCCNC(=O)NC[C@@H](O)c1ccccc1Br ZINC000845313616 661465281 /nfs/dbraw/zinc/46/52/81/661465281.db2.gz FAZIEOWDZZDTRD-MRXNPFEDSA-N 1 0 386.334 2.760 20 0 GFADRO CN1CCC([NH+]2CCC(NC(=O)c3snc(Cl)c3Cl)CC2)CC1 ZINC000845351497 661467888 /nfs/dbraw/zinc/46/78/88/661467888.db2.gz NMOWMRZMPZSVJA-UHFFFAOYSA-N 1 0 377.341 2.738 20 0 GFADRO C[C@@H](C[NH+]1CCCC1)OC(=O)c1ccc(Br)cc1-n1cncn1 ZINC000845664598 661485759 /nfs/dbraw/zinc/48/57/59/661485759.db2.gz KYOMRFSZBORHOV-LBPRGKRZSA-N 1 0 379.258 2.671 20 0 GFADRO CC[NH+]1CCN(CC(C)(C)NC(=O)NCCC[C@H]2CC2(Cl)Cl)CC1 ZINC000845678415 661490328 /nfs/dbraw/zinc/49/03/28/661490328.db2.gz FJQBHSSZKFWJBB-AWEZNQCLSA-N 1 0 379.376 2.676 20 0 GFADRO CC(C)C[N@H+](C)CCCNC(=O)C(=O)Nc1cc(Cl)c(N)c(Cl)c1 ZINC000846013307 661521627 /nfs/dbraw/zinc/52/16/27/661521627.db2.gz HSTFHOLNWRSBBB-UHFFFAOYSA-N 1 0 375.300 2.608 20 0 GFADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]CC[C@]1(C)C[C@]1(F)Cl ZINC000846039630 661526543 /nfs/dbraw/zinc/52/65/43/661526543.db2.gz VBJHNWDIOUHPSC-KCPJHIHWSA-N 1 0 398.331 2.999 20 0 GFADRO [NH3+]C[C@]12CCC[C@H]1CN(S(=O)(=O)/C=C/c1ccccc1Br)C2 ZINC000846232187 661539140 /nfs/dbraw/zinc/53/91/40/661539140.db2.gz VNFWSKPCYITJLD-SBYGYFDASA-N 1 0 385.327 2.810 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(S(=O)(=O)/C=C/c3cccc(Cl)c3)C2)C1 ZINC000846230111 661539268 /nfs/dbraw/zinc/53/92/68/661539268.db2.gz HJUTWCMHZQLCAA-HNTJRPIFSA-N 1 0 384.929 2.859 20 0 GFADRO C[C@H]1CCCN(S(=O)(=O)c2cc(Br)cnc2Cl)[C@@H]1CC[NH3+] ZINC000846232820 661539452 /nfs/dbraw/zinc/53/94/52/661539452.db2.gz VFJVHQCYKKTDJA-GXSJLCMTSA-N 1 0 396.738 2.636 20 0 GFADRO C[NH+](C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]1(C)CC1(Cl)Cl ZINC000846242502 661540278 /nfs/dbraw/zinc/54/02/78/661540278.db2.gz SMMIKPRVJQPFRZ-XHDPSFHLSA-N 1 0 382.332 2.532 20 0 GFADRO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCN(C(=O)Nc3cccc(Br)n3)C2)C1 ZINC000846309988 661544659 /nfs/dbraw/zinc/54/46/59/661544659.db2.gz DBLSMUOKBFBRKI-JHJVBQTASA-N 1 0 383.290 2.594 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)NCC[C@]1(C)C[C@]1(F)Cl ZINC000846722701 661562633 /nfs/dbraw/zinc/56/26/33/661562633.db2.gz UUYHQUCJGAYQMT-ZTFGCOKTSA-N 1 0 375.916 2.578 20 0 GFADRO C[C@@H]1COCC[N@@H+]1C1CCN(C[C@H](O)c2ccccc2Br)CC1 ZINC000846911503 661570201 /nfs/dbraw/zinc/57/02/01/661570201.db2.gz JGWPYKIRMYZCSM-KDOFPFPSSA-N 1 0 383.330 2.668 20 0 GFADRO Cc1nn(CCS(C)(=O)=O)c(C)c1C[NH2+][C@H](C)C1CCC(F)(F)CC1 ZINC000847072854 661575382 /nfs/dbraw/zinc/57/53/82/661575382.db2.gz DWVMTIWNUKKQBC-GFCCVEGCSA-N 1 0 377.501 2.848 20 0 GFADRO O=C(Nc1ccnc(Br)c1)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000847192123 661580894 /nfs/dbraw/zinc/58/08/94/661580894.db2.gz JFSSXLMNKXRDTB-CQSZACIVSA-N 1 0 383.290 2.563 20 0 GFADRO C[NH+](C)C1(CNC(=O)c2nc(F)ccc2Br)Cc2ccccc2C1 ZINC000847520705 661595425 /nfs/dbraw/zinc/59/54/25/661595425.db2.gz PJFVXVJGVBUTDH-UHFFFAOYSA-N 1 0 392.272 2.812 20 0 GFADRO CS[C@H]1CN(C(=O)c2cnc(Cl)c(Br)c2)C[C@H]1[NH+](C)C ZINC000847618504 661601838 /nfs/dbraw/zinc/60/18/38/661601838.db2.gz KKGPRKNWRAIRCW-MNOVXSKESA-N 1 0 378.723 2.615 20 0 GFADRO CCN1CCC([NH+]2CCC(C(=O)NC[C@@]3(C)CC3(Cl)Cl)CC2)CC1 ZINC000848192820 661631946 /nfs/dbraw/zinc/63/19/46/661631946.db2.gz JOOWWDCBWAZEIR-QGZVFWFLSA-N 1 0 376.372 2.883 20 0 GFADRO C[N@@H+]1C[C@@H](CNC(=O)c2ncsc2Br)[C@H](c2ccccc2)C1 ZINC000848237398 661634889 /nfs/dbraw/zinc/63/48/89/661634889.db2.gz BCCOLPBJRDDAPH-OLZOCXBDSA-N 1 0 380.311 2.981 20 0 GFADRO Cc1ccc(N2N=C(Br)C[C@@H]2C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)cc1 ZINC000848293566 661639470 /nfs/dbraw/zinc/63/94/70/661639470.db2.gz QTRNUFWRDWYFBV-VNQPRFMTSA-N 1 0 393.329 2.739 20 0 GFADRO [NH2+]=C(NCCn1cc(Br)cn1)NCc1cccc(C(F)(F)F)c1 ZINC000849051337 661690381 /nfs/dbraw/zinc/69/03/81/661690381.db2.gz GZTBWDBYOKOASP-UHFFFAOYSA-N 1 0 390.207 2.979 20 0 GFADRO CC[N@@H+]1CCCC[C@H]1CN1C(=O)N[C@H](c2ccccc2Br)C1=O ZINC000849355096 661708901 /nfs/dbraw/zinc/70/89/01/661708901.db2.gz YYWRFTFIFILKCA-SWLSCSKDSA-N 1 0 380.286 2.916 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@H](NS(=O)(=O)Cc2cc(F)ccc2Br)C1 ZINC000849379596 661712236 /nfs/dbraw/zinc/71/22/36/661712236.db2.gz OOBBAELSYLFACQ-UONOGXRCSA-N 1 0 393.322 2.880 20 0 GFADRO Cn1cc([C@H]2C[N@H+](C)CC[C@H]2C(=O)Nc2ccc(Br)cc2F)cn1 ZINC000849480482 661733531 /nfs/dbraw/zinc/73/35/31/661733531.db2.gz DNLLEDBZQZBHRG-ZIAGYGMSSA-N 1 0 395.276 2.996 20 0 GFADRO O=[S@@](CC[NH2+]Cc1cc2c(cc1Br)OCO2)CC(F)(F)F ZINC000850349689 661771071 /nfs/dbraw/zinc/77/10/71/661771071.db2.gz JJEAYASWNHYYHA-NRFANRHFSA-N 1 0 388.205 2.578 20 0 GFADRO CCOC(=O)C(F)(F)[C@@H]1CCC[C@@H]([NH2+]CC[S@](=O)CC(F)(F)F)C1 ZINC000850490365 661778371 /nfs/dbraw/zinc/77/83/71/661778371.db2.gz AKOUWRDZBGDUHH-JEKXNZCQSA-N 1 0 379.391 2.644 20 0 GFADRO C[C@H](Cc1ccc(Br)cc1)[NH2+]CCS(=O)(=O)CC(F)(F)F ZINC000850520837 661780941 /nfs/dbraw/zinc/78/09/41/661780941.db2.gz ZMMFXPUEFSZUFK-SNVBAGLBSA-N 1 0 388.249 2.947 20 0 GFADRO CC(C)(C)n1ncc(C(=O)N2c3ccccc3C[C@H]2C[NH3+])c1Br ZINC000850713043 661788106 /nfs/dbraw/zinc/78/81/06/661788106.db2.gz BHMGLMYIBFQTKH-LBPRGKRZSA-N 1 0 377.286 2.931 20 0 GFADRO [NH3+]C1(CNC(=O)C(=O)Nc2cccc(Cl)c2SC(F)F)CCCC1 ZINC000850842789 661792744 /nfs/dbraw/zinc/79/27/44/661792744.db2.gz YQTABVKORNWLLR-UHFFFAOYSA-N 1 0 377.844 2.981 20 0 GFADRO C[NH2+]C[C@H](C)NC(=O)C(=O)Nc1ccccc1SC[C@@H]1CC1(Cl)Cl ZINC000850867644 661793956 /nfs/dbraw/zinc/79/39/56/661793956.db2.gz PONJYOFPBLJMTC-QWRGUYRKSA-N 1 0 390.336 2.635 20 0 GFADRO C[C@@H]1[C@H](COC(=O)[C@@H]2CCO[C@H]2c2cncc(Br)c2)CC[N@@H+]1C ZINC000851108759 661806795 /nfs/dbraw/zinc/80/67/95/661806795.db2.gz GHWRZMJZOXIMRG-KOZAUXTDSA-N 1 0 383.286 2.805 20 0 GFADRO O=C(c1cc(-c2ccc(Br)cc2)no1)N1CCNC[C@@H]1C(F)F ZINC000851635750 661827201 /nfs/dbraw/zinc/82/72/01/661827201.db2.gz NFTZXOPMVHWRFK-GFCCVEGCSA-N 1 0 386.196 2.783 20 0 GFADRO Cn1c(C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)ccc1-c1ccc(Br)cc1 ZINC000851648496 661827754 /nfs/dbraw/zinc/82/77/54/661827754.db2.gz IOXSVVDFGRGHKK-ZIAGYGMSSA-N 1 0 380.261 2.966 20 0 GFADRO CC(C)[C@H]([NH3+])CNC(=O)N1CC[C@@]2(C)[C@@H](C1)C2(Br)Br ZINC000851664767 661827935 /nfs/dbraw/zinc/82/79/35/661827935.db2.gz KEBXRBVNKOIABY-FOGDFJRCSA-N 1 0 397.155 2.507 20 0 GFADRO CC[NH+](CC)CCN(CCn1cnc(Br)n1)Cc1ccccc1 ZINC000851803860 661833261 /nfs/dbraw/zinc/83/32/61/661833261.db2.gz KPZAEXQILBPJQK-UHFFFAOYSA-N 1 0 380.334 2.885 20 0 GFADRO O[C@H](CN1CCC[C@H]([NH+]2CCOCC2)CC1)c1ccccc1Br ZINC000852009353 661849021 /nfs/dbraw/zinc/84/90/21/661849021.db2.gz MDHQOTGZQZYTGL-MAUKXSAKSA-N 1 0 383.330 2.669 20 0 GFADRO NC(=O)[C@@](O)(C[N@@H+]1CC[C@@H](Sc2cccc(Cl)c2)C1)c1ccccc1 ZINC000852078515 661851823 /nfs/dbraw/zinc/85/18/23/661851823.db2.gz CXNIRLPVNSNACF-IEBWSBKVSA-N 1 0 376.909 2.880 20 0 GFADRO CCOP(=O)(OCC)[C@H](O)C[N@@H+]1C[C@@H](C)C[C@H](C(=O)OC(C)(C)C)C1 ZINC000852183862 661856053 /nfs/dbraw/zinc/85/60/53/661856053.db2.gz AACWUAJSRXFPKN-KKUMJFAQSA-N 1 0 379.434 2.871 20 0 GFADRO COC(=O)[C@@H]1C[N@H+](C[C@@H]2COC(C)(C)O2)C[C@H]1c1ccc(Br)cc1 ZINC000852191444 661856145 /nfs/dbraw/zinc/85/61/45/661856145.db2.gz WXRXRBVVVMHJEA-OWCLPIDISA-N 1 0 398.297 2.789 20 0 GFADRO COC[C@@H]([NH2+]C[C@H](O)c1ccc(F)c(Br)c1)C1CCOCC1 ZINC000852321855 661860347 /nfs/dbraw/zinc/86/03/47/661860347.db2.gz UMFSTRRFDMEBEL-CVEARBPZSA-N 1 0 376.266 2.653 20 0 GFADRO COC[C@H]([NH2+]C[C@H](O)c1ccc(F)c(Br)c1)C1CCOCC1 ZINC000852321856 661860381 /nfs/dbraw/zinc/86/03/81/661860381.db2.gz UMFSTRRFDMEBEL-HOTGVXAUSA-N 1 0 376.266 2.653 20 0 GFADRO O=C(N1CCC[C@H]([C@H]2CCCC[N@H+]2C[C@@H](O)C(F)(F)F)C1)C(F)(F)F ZINC000852472322 661865551 /nfs/dbraw/zinc/86/55/51/661865551.db2.gz BYUGTMFJGHJBER-QJPTWQEYSA-N 1 0 376.341 2.565 20 0 GFADRO Ic1cnnn1C1CC[NH+](CCc2ccccc2)CC1 ZINC000852532115 661866434 /nfs/dbraw/zinc/86/64/34/661866434.db2.gz DBBUEGYHAFHMPQ-UHFFFAOYSA-N 1 0 382.249 2.762 20 0 GFADRO O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)N1Cc2ccc(Br)cc2C1 ZINC000852638061 661869312 /nfs/dbraw/zinc/86/93/12/661869312.db2.gz LPOCLQCCPXJBPT-KRWDZBQOSA-N 1 0 394.313 2.728 20 0 GFADRO O=C(NCCC1SCCS1)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000852677006 661870889 /nfs/dbraw/zinc/87/08/89/661870889.db2.gz WKDVDKKGEVYXGH-UHFFFAOYSA-N 1 0 387.615 2.717 20 0 GFADRO CNC(=O)Cc1nc(C[NH2+][C@@H](C(C)C)[C@@H](O)c2ccc(Cl)cc2)cs1 ZINC000852731276 661872382 /nfs/dbraw/zinc/87/23/82/661872382.db2.gz ITAUDLLTDJNMOE-ROUUACIJSA-N 1 0 381.929 2.933 20 0 GFADRO NC(=O)c1cccc2c1CC[N@H+](C[C@H](O)c1ccc(Br)cc1)C2 ZINC000852755574 661873427 /nfs/dbraw/zinc/87/34/27/661873427.db2.gz TXYBNRGTICPYRC-KRWDZBQOSA-N 1 0 375.266 2.640 20 0 GFADRO COC(=O)NC1CC[NH+](C[C@@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000852770165 661874205 /nfs/dbraw/zinc/87/42/05/661874205.db2.gz FZGSQYHMELADDZ-CYBMUJFWSA-N 1 0 377.268 2.554 20 0 GFADRO O=C(NCCC[NH2+]Cc1cccnc1)c1ccc(C(F)(F)Br)nc1 ZINC000852793338 661874569 /nfs/dbraw/zinc/87/45/69/661874569.db2.gz YACHUDOPCADKEY-UHFFFAOYSA-N 1 0 399.239 2.831 20 0 GFADRO CC[NH2+]CC1CCN(C(=O)[C@]2(C)CC2(Br)Br)CC1 ZINC000852798625 661874725 /nfs/dbraw/zinc/87/47/25/661874725.db2.gz MXTFJBAEUFMUIA-LBPRGKRZSA-N 1 0 382.140 2.731 20 0 GFADRO O=C(C=C1CC[NH2+]CC1)NC1(c2ccc(Br)cc2)CCOCC1 ZINC000852820165 661875246 /nfs/dbraw/zinc/87/52/46/661875246.db2.gz NFJJJMPONMZTSE-UHFFFAOYSA-N 1 0 379.298 2.881 20 0 GFADRO O=C(C=C1CC[NH2+]CC1)NC[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000852862023 661875877 /nfs/dbraw/zinc/87/58/77/661875877.db2.gz QGHTWKQHENPGCT-HNNXBMFYSA-N 1 0 378.314 2.701 20 0 GFADRO C[NH2+]CCCC(=O)N1CCC(NC(=O)c2sccc2SC(F)F)CC1 ZINC000852871276 661876091 /nfs/dbraw/zinc/87/60/91/661876091.db2.gz XXOKXAODHYNCAB-UHFFFAOYSA-N 1 0 391.509 2.783 20 0 GFADRO C[C@]1(C(=O)N[C@H]2CC[NH2+]C3(CCC3)C2)CC1(Br)Br ZINC000852893970 661876635 /nfs/dbraw/zinc/87/66/35/661876635.db2.gz RLCZPNUINRMVEF-GXSJLCMTSA-N 1 0 380.124 2.673 20 0 GFADRO C[C@]1(C(=O)N[C@@H]2CC[NH2+]C3(CCC3)C2)CC1(Br)Br ZINC000852893974 661876675 /nfs/dbraw/zinc/87/66/75/661876675.db2.gz RLCZPNUINRMVEF-MWLCHTKSSA-N 1 0 380.124 2.673 20 0 GFADRO Cc1c(Br)cccc1C[C@H](CO)C[NH2+]C[C@H](O)c1ccccn1 ZINC000853108882 661882532 /nfs/dbraw/zinc/88/25/32/661882532.db2.gz DGYSKJFDALARSW-KSSFIOAISA-N 1 0 379.298 2.627 20 0 GFADRO OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1Nc1ncnc(F)c1Br ZINC000853366423 661888074 /nfs/dbraw/zinc/88/80/74/661888074.db2.gz AFOIGKWELHDTNM-UONOGXRCSA-N 1 0 395.276 2.673 20 0 GFADRO O=C1C=C(c2ccc(Br)cc2)CN1C[N@@H+]1CC[C@H]2COC[C@H]2C1 ZINC000853588316 661893779 /nfs/dbraw/zinc/89/37/79/661893779.db2.gz GKWVQWGOUDVJMX-GOEBONIOSA-N 1 0 377.282 2.601 20 0 GFADRO OCCC[N@@H+]1CCC[C@H]1CNc1nc(Cl)nc2c(Br)c[nH]c21 ZINC000853651837 661896207 /nfs/dbraw/zinc/89/62/07/661896207.db2.gz QPXWBUFURMRSFK-VIFPVBQESA-N 1 0 388.697 2.633 20 0 GFADRO Cn1nc(Br)c2c1ncnc2NC[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000853979656 661909833 /nfs/dbraw/zinc/90/98/33/661909833.db2.gz SVCYFTRGDOUFBO-ZDUSSCGKSA-N 1 0 387.285 2.812 20 0 GFADRO Cn1cc(-c2ccnc(C3CC[NH+](CC4(Br)CC4)CC3)n2)cn1 ZINC000854104737 661914309 /nfs/dbraw/zinc/91/43/09/661914309.db2.gz XZHPXKIOGIBTIQ-UHFFFAOYSA-N 1 0 376.302 2.984 20 0 GFADRO C[N@H+](CCCCNC(=O)N1CC(O)(c2ccc(Br)cc2)C1)C1CC1 ZINC000854125435 661915429 /nfs/dbraw/zinc/91/54/29/661915429.db2.gz KPRHAURIRHTCID-UHFFFAOYSA-N 1 0 396.329 2.536 20 0 GFADRO CCC[NH+]1CCC(NC(=O)[C@]2(C)CC2(Br)Br)CC1 ZINC000854273367 661921900 /nfs/dbraw/zinc/92/19/00/661921900.db2.gz YGHJOBUILLWXKO-LBPRGKRZSA-N 1 0 382.140 2.873 20 0 GFADRO C[C@H](OC(=O)[C@@H]1CC1(Cl)Cl)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000854289052 661922135 /nfs/dbraw/zinc/92/21/35/661922135.db2.gz IOHSNKQDUHMNKE-QEJZJMRPSA-N 1 0 385.291 2.503 20 0 GFADRO C[NH+]1CCC(ONC(=O)c2cc(-c3cccc(Br)c3)no2)CC1 ZINC000854357926 661929162 /nfs/dbraw/zinc/92/91/62/661929162.db2.gz MQBRRQXRCWYMGW-UHFFFAOYSA-N 1 0 380.242 2.860 20 0 GFADRO COCC[NH+](CCOC)C1CCN(C(=O)CC[C@@H]2CC2(Cl)Cl)CC1 ZINC000854440369 661933445 /nfs/dbraw/zinc/93/34/45/661933445.db2.gz QXHSCWFQWCQYTO-CQSZACIVSA-N 1 0 381.344 2.546 20 0 GFADRO CSC1(CNC(=O)c2ccc(N)c(OC(F)(F)F)c2)CC[NH+](C)CC1 ZINC000854523377 661938009 /nfs/dbraw/zinc/93/80/09/661938009.db2.gz QNGDZVLAUALQDP-UHFFFAOYSA-N 1 0 377.432 2.725 20 0 GFADRO C[C@H]1COCC[N@@H+]1C1CCN(C(=O)[C@H](O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000854569247 661940019 /nfs/dbraw/zinc/94/00/19/661940019.db2.gz IYCXLFPEUAFARI-YVEFUNNKSA-N 1 0 387.307 2.739 20 0 GFADRO CC[C@H](C)[NH+]1CCN(C(=O)[C@@]2(C)CC2(Br)Br)CC1 ZINC000854850910 661957029 /nfs/dbraw/zinc/95/70/29/661957029.db2.gz PDFFPIDZWFMQGX-CMPLNLGQSA-N 1 0 382.140 2.825 20 0 GFADRO CC(C)(C[NH+]1CCCC1)NC(=O)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000854895029 661959622 /nfs/dbraw/zinc/95/96/22/661959622.db2.gz XUUZBPFSUTWLAY-UHFFFAOYSA-N 1 0 378.416 2.584 20 0 GFADRO C[N@@H+]1CCC[C@H](CCNC(=O)[C@@]2(C)CC2(Br)Br)C1 ZINC000854912989 661960836 /nfs/dbraw/zinc/96/08/36/661960836.db2.gz LIJWNSCRCWMUHU-ZYHUDNBSSA-N 1 0 382.140 2.731 20 0 GFADRO COCC[N@@H+]1CCC[C@@H](NC(=O)Cc2cc(C(F)(F)F)cc(Cl)n2)C1 ZINC000854980913 661964461 /nfs/dbraw/zinc/96/44/61/661964461.db2.gz IGOVQELLPAAJCO-GFCCVEGCSA-N 1 0 379.810 2.523 20 0 GFADRO O=C(N[C@H]1CC[N@@H+](C2CCCCC2)C1)c1c(Br)nc2n1CCC2 ZINC000855812725 662009100 /nfs/dbraw/zinc/00/91/00/662009100.db2.gz WPAFYRHLJRZSDA-LBPRGKRZSA-N 1 0 381.318 2.729 20 0 GFADRO CC[N@H+](C)[C@H](C(=O)N1CCn2ncc(Br)c2C1)c1ccccc1 ZINC000856010478 662015206 /nfs/dbraw/zinc/01/52/06/662015206.db2.gz IUJCGBBTKAECEI-INIZCTEOSA-N 1 0 377.286 2.681 20 0 GFADRO Cc1ccc(/C=C\C(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)c(Br)c1 ZINC000856253678 662026891 /nfs/dbraw/zinc/02/68/91/662026891.db2.gz DISMOXLFZTZSQZ-CHYADLBTSA-N 1 0 393.325 2.828 20 0 GFADRO C[NH+](C)CCC[C@H]1CN(C(=O)c2cc(Br)cnc2Cl)CCO1 ZINC000856428727 662033400 /nfs/dbraw/zinc/03/34/00/662033400.db2.gz DGDXSIVYEGKXQV-LBPRGKRZSA-N 1 0 390.709 2.680 20 0 GFADRO COC(=O)/C=C1/SCC(=O)N1CCC[NH2+][C@H](C(F)F)C1CCCCC1 ZINC000856823843 662046059 /nfs/dbraw/zinc/04/60/59/662046059.db2.gz UFXMCJOTRCSEGN-DKGMDFAASA-N 1 0 376.469 2.770 20 0 GFADRO S=C(NN=c1ncc(Cl)c[nH]1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000857202410 662067974 /nfs/dbraw/zinc/06/79/74/662067974.db2.gz JGORJBXDMASXOO-UHFFFAOYSA-N 1 0 376.917 2.586 20 0 GFADRO C[N@@H+]1CCC[C@@H](c2cccc(C(=O)NCc3cnc(Br)cn3)c2)C1 ZINC000857242238 662069323 /nfs/dbraw/zinc/06/93/23/662069323.db2.gz WTXPGIKIHTVPAI-OAHLLOKOSA-N 1 0 389.297 2.978 20 0 GFADRO C[N@@H+]1CCC[C@@H](c2cccc(C(=O)NCCn3cc(Br)cn3)c2)C1 ZINC000857257427 662070751 /nfs/dbraw/zinc/07/07/51/662070751.db2.gz XOMJQQKIKOARLX-MRXNPFEDSA-N 1 0 391.313 2.885 20 0 GFADRO CCC[N@H+](C)CC(C)(C)NC(=O)CCN1C(=S)N=NC1c1cccs1 ZINC000857333981 662073754 /nfs/dbraw/zinc/07/37/54/662073754.db2.gz GEIVHXKDVIHNFN-UHFFFAOYSA-N 1 0 381.571 2.922 20 0 GFADRO CC[N@@H+]1C[C@H](C)N(C(=O)[C@]2(C)CC2(Br)Br)C[C@@H]1C ZINC000857601412 662082766 /nfs/dbraw/zinc/08/27/66/662082766.db2.gz KZNSEFZHMPKYMZ-NHCYSSNCSA-N 1 0 382.140 2.824 20 0 GFADRO C[NH+](C)[C@H]1CCc2cc(Br)ccc2N(C(=O)c2cncnc2)C1 ZINC000857880333 662093150 /nfs/dbraw/zinc/09/31/50/662093150.db2.gz GZKIJXSVPNHZQT-HNNXBMFYSA-N 1 0 375.270 2.762 20 0 GFADRO C[NH+](C)[C@H]1CCc2cc(Br)ccc2N(C(=O)Cc2ccon2)C1 ZINC000857881431 662093687 /nfs/dbraw/zinc/09/36/87/662093687.db2.gz VFANESYJYPNNEB-HNNXBMFYSA-N 1 0 378.270 2.889 20 0 GFADRO C[NH+](C)[C@H]1CCc2cc(Br)ccc2N(C(=O)c2cnsn2)C1 ZINC000857883549 662093840 /nfs/dbraw/zinc/09/38/40/662093840.db2.gz XNPOTOJHPRLEON-LBPRGKRZSA-N 1 0 381.299 2.824 20 0 GFADRO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)[C@@H]2C[C@@]2(C)Br)cc1 ZINC000858115253 662099389 /nfs/dbraw/zinc/09/93/89/662099389.db2.gz BJKDUIJXPISAIK-MAUKXSAKSA-N 1 0 396.329 2.870 20 0 GFADRO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)[C@@H]2C[C@]2(C)Br)cc1 ZINC000858115255 662099516 /nfs/dbraw/zinc/09/95/16/662099516.db2.gz BJKDUIJXPISAIK-YJBOKZPZSA-N 1 0 396.329 2.870 20 0 GFADRO COc1ccccc1N1CC[C@@H](C[NH2+]Cc2cn(C)nc2Br)C1 ZINC000858119566 662099635 /nfs/dbraw/zinc/09/96/35/662099635.db2.gz UBMAQXAUZRDUAH-ZDUSSCGKSA-N 1 0 379.302 2.807 20 0 GFADRO COCO[C@@H](C)c1cc(F)c(C[NH2+][C@@H](C)CC(N)=O)cc1Br ZINC000858151048 662101644 /nfs/dbraw/zinc/10/16/44/662101644.db2.gz RGLDFKJWOJXUEL-UWVGGRQHSA-N 1 0 377.254 2.623 20 0 GFADRO CNC(=O)C[C@H](C)[NH2+]Cc1cc(Br)c([C@@H](C)OCOC)cc1F ZINC000858173654 662103111 /nfs/dbraw/zinc/10/31/11/662103111.db2.gz DYFOZMKPMMQGIK-WDEREUQCSA-N 1 0 391.281 2.884 20 0 GFADRO COc1ccc(CN2CC[C@H]2C[NH2+]Cc2cc(Br)nn2C)cc1 ZINC000858238228 662105528 /nfs/dbraw/zinc/10/55/28/662105528.db2.gz RIKUYKYDGYAKNV-AWEZNQCLSA-N 1 0 379.302 2.555 20 0 GFADRO CC[S@@](=O)CC[NH2+][C@H](C)c1ccc(NS(=O)(=O)c2ccccc2)cc1 ZINC000858365074 662109762 /nfs/dbraw/zinc/10/97/62/662109762.db2.gz YXUMIJLLGRCMNK-OYLFLEFRSA-N 1 0 380.535 2.907 20 0 GFADRO Cc1cc(N2CC[C@@H](Nc3cc[nH+]c(CO)c3)C2=O)ccc1Br ZINC000858486418 662113184 /nfs/dbraw/zinc/11/31/84/662113184.db2.gz PKQSTRFCJAKEIC-MRXNPFEDSA-N 1 0 376.254 2.862 20 0 GFADRO C[C@@H]([NH2+][C@@H](C)c1ccns1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000858578242 662115446 /nfs/dbraw/zinc/11/54/46/662115446.db2.gz OXJFETAJESHTTH-KGLIPLIRSA-N 1 0 381.523 2.576 20 0 GFADRO CC[NH2+]CC1CCN(S(=O)(=O)c2ccc(NC(=O)OC)c(Cl)c2)CC1 ZINC000858607371 662116078 /nfs/dbraw/zinc/11/60/78/662116078.db2.gz AJPQUNKKGLWKAF-UHFFFAOYSA-N 1 0 389.905 2.529 20 0 GFADRO COC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](C)[C@H]2CC[NH3+])cc1Cl ZINC000858616310 662116616 /nfs/dbraw/zinc/11/66/16/662116616.db2.gz RYKDQSOCRNUXFV-IAQYHMDHSA-N 1 0 389.905 2.656 20 0 GFADRO O=S(=O)(/C=C\c1ccccc1Cl)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000858644571 662117892 /nfs/dbraw/zinc/11/78/92/662117892.db2.gz WVHHQCKWLNOJEA-UEOUDEGLSA-N 1 0 384.929 2.731 20 0 GFADRO Cc1sc2c(nc(Cl)nc2NCC[N@@H+]2CC[C@@H](O)C2)c1Br ZINC000858812489 662123992 /nfs/dbraw/zinc/12/39/92/662123992.db2.gz ROIYYPAWWPWSLJ-MRVPVSSYSA-N 1 0 391.722 2.894 20 0 GFADRO CC[N@@H+]1CCCC[C@@H]1CNS(=O)(=O)c1ccc(NC(=O)OC)c(Cl)c1 ZINC000858971766 662129895 /nfs/dbraw/zinc/12/98/95/662129895.db2.gz GCWRKNXDEGIMEJ-GFCCVEGCSA-N 1 0 389.905 2.671 20 0 GFADRO C[NH+](C)CC[C@@H](NS(=O)(=O)c1ccc(Br)nc1F)C(C)(C)C ZINC000858988520 662130768 /nfs/dbraw/zinc/13/07/68/662130768.db2.gz OLBTZVLIBAXZRG-LLVKDONJSA-N 1 0 396.326 2.628 20 0 GFADRO COC(=O)Nc1ccc(S(=O)(=O)N[C@H]2CCC[N@@H+](C(C)C)C2)cc1Cl ZINC000859111124 662138424 /nfs/dbraw/zinc/13/84/24/662138424.db2.gz FOTYAFHFMDPBOI-LBPRGKRZSA-N 1 0 389.905 2.669 20 0 GFADRO COC(=O)Nc1ccc(S(=O)(=O)N2CCCC[C@@H]2C[NH+](C)C)cc1Cl ZINC000859226721 662146353 /nfs/dbraw/zinc/14/63/53/662146353.db2.gz QHDQCASFNJFRNI-GFCCVEGCSA-N 1 0 389.905 2.623 20 0 GFADRO CC[C@H](C(=O)NC[C@@H](C)N1CC[NH+](C)CC1)c1ccc(Br)cc1 ZINC000859364688 662156520 /nfs/dbraw/zinc/15/65/20/662156520.db2.gz ODAMHZFHLHTMGC-PBHICJAKSA-N 1 0 382.346 2.695 20 0 GFADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2c(Cl)nn(C)c2Cl)[C@@H](C)C1 ZINC000859417368 662161356 /nfs/dbraw/zinc/16/13/56/662161356.db2.gz RGZRAXJBDJRVIS-RYUDHWBXSA-N 1 0 377.316 2.594 20 0 GFADRO CC(C)[C@H]1CN(CCn2cnc(Br)n2)CC[N@@H+]1Cc1ccccc1 ZINC000859526926 662166254 /nfs/dbraw/zinc/16/62/54/662166254.db2.gz LHAPYRVXNYVBDV-QGZVFWFLSA-N 1 0 392.345 2.883 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)Nc2cccnc2Br)CC[C@@H]1C(F)(F)F ZINC000859664146 662171669 /nfs/dbraw/zinc/17/16/69/662171669.db2.gz ZXNQNHDQGAVZEQ-BDAKNGLRSA-N 1 0 381.196 2.835 20 0 GFADRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)c2cc(Br)c3ncc(C=O)n3c2)C1 ZINC000859900277 662178071 /nfs/dbraw/zinc/17/80/71/662178071.db2.gz BHJLQMLCINHQHF-STQMWFEESA-N 1 0 393.285 2.512 20 0 GFADRO CS[C@@H]1CN(C(=O)c2cccc(N=S(C)(C)=O)c2)C[C@@H]1[NH+]1CCCC1 ZINC000860787859 662215560 /nfs/dbraw/zinc/21/55/60/662215560.db2.gz OAIXGCZQLJZZAY-DLBZAZTESA-N 1 0 381.567 2.698 20 0 GFADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)/C=C\c1csc(C(F)(F)F)c1 ZINC000860915908 662220576 /nfs/dbraw/zinc/22/05/76/662220576.db2.gz KTLGGCKXPLQTHH-SCOBNMCVSA-N 1 0 375.460 2.922 20 0 GFADRO CO[C@H]1C[N@H+](C)[C@](C)(COC(=O)c2ccccc2I)C1 ZINC000861338954 662241106 /nfs/dbraw/zinc/24/11/06/662241106.db2.gz KNEZCAADDRHMRR-ABAIWWIYSA-N 1 0 389.233 2.557 20 0 GFADRO O=C(N[C@H]1CC[NH2+]C12CCC2)N1CCO[C@H](c2ccccc2Br)C1 ZINC000861662119 662254289 /nfs/dbraw/zinc/25/42/89/662254289.db2.gz NPAXJSMBPRCJLG-HOTGVXAUSA-N 1 0 394.313 2.817 20 0 GFADRO O=C(c1c(Cl)cc(F)cc1Br)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000861713785 662255528 /nfs/dbraw/zinc/25/55/28/662255528.db2.gz DZFWGXSPDJXKMG-QWRGUYRKSA-N 1 0 391.668 2.523 20 0 GFADRO C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)Nc2cccc(SC(F)(F)F)c2)C1 ZINC000861770532 662258087 /nfs/dbraw/zinc/25/80/87/662258087.db2.gz MUVQYBMUUKEXDA-GFCCVEGCSA-N 1 0 375.416 2.790 20 0 GFADRO O=C(Nc1cccc(C[N@H+]2CC[C@@H](O)C2)c1)c1cc(Br)cnc1F ZINC000861789746 662258984 /nfs/dbraw/zinc/25/89/84/662258984.db2.gz VWPOTTRLQZMLPW-CQSZACIVSA-N 1 0 394.244 2.802 20 0 GFADRO C[N@@H+]1CCC[C@@H]1[C@H]1COCCN1C(=O)c1ccc(SC(F)(F)F)nc1 ZINC000861824225 662260083 /nfs/dbraw/zinc/26/00/83/662260083.db2.gz GFQTXXPOIPBEQP-CHWSQXEVSA-N 1 0 375.416 2.629 20 0 GFADRO O=C(c1cc2ccc(Br)cc2[nH]1)N1CCC([NH+]2CCOCC2)CC1 ZINC000862215055 662273914 /nfs/dbraw/zinc/27/39/14/662273914.db2.gz GVJVZRYCENHMPM-UHFFFAOYSA-N 1 0 392.297 2.867 20 0 GFADRO CC(C)(C)OC(=O)N1CC(F)(F)C[C@@H]1C[N@@H+]1CCS[C@H]2COCC[C@@H]21 ZINC000862251664 662277488 /nfs/dbraw/zinc/27/74/88/662277488.db2.gz KPFUUBBLFHKCST-RDBSUJKOSA-N 1 0 378.485 2.837 20 0 GFADRO COC(=O)[C@@H](Cc1ccccc1)[C@H](C)[NH2+]Cc1cn(C)nc1Br ZINC000862360469 662282374 /nfs/dbraw/zinc/28/23/74/662282374.db2.gz MMADSKLZUDDJHH-WFASDCNBSA-N 1 0 380.286 2.693 20 0 GFADRO Cc1csc(SCc2ccc(C(=O)NCC[N@@H+]3CC[C@@H](O)C3)cc2)n1 ZINC000863325360 662321032 /nfs/dbraw/zinc/32/10/32/662321032.db2.gz CRYOQDBZLAYDNY-MRXNPFEDSA-N 1 0 377.535 2.540 20 0 GFADRO O=C1Nc2ccc(Br)cc2CC[C@@H]1N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000863544620 662335977 /nfs/dbraw/zinc/33/59/77/662335977.db2.gz ZHEIUAHRBAMDEM-FUHWJXTLSA-N 1 0 378.314 2.778 20 0 GFADRO [NH3+]C[C@@H]1CCCN(Cc2ccc(S(=O)(=O)C(F)F)cc2)[C@@H]1C(F)(F)F ZINC000863559826 662336489 /nfs/dbraw/zinc/33/64/89/662336489.db2.gz WFXBGXZUBLINCM-AAEUAGOBSA-N 1 0 386.386 2.785 20 0 GFADRO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CC[C@@H](O)[C@H]1c1ccc(Br)cc1 ZINC000863580304 662338642 /nfs/dbraw/zinc/33/86/42/662338642.db2.gz KSCUHDGVVLVPQH-ZDFLXESQSA-N 1 0 381.314 2.956 20 0 GFADRO O=S(=O)(Cc1noc([C@H](F)[C@H]2CC[NH2+]C2)n1)c1cc(Cl)ccc1Cl ZINC000863665993 662342862 /nfs/dbraw/zinc/34/28/62/662342862.db2.gz SHESONLMPJNDFK-ISVAXAHUSA-N 1 0 394.255 2.970 20 0 GFADRO COc1cc(Br)c(Cc2noc(C3=CC[C@H]([NH3+])C3)n2)cc1OC ZINC000863668991 662343246 /nfs/dbraw/zinc/34/32/46/662343246.db2.gz SLQDTIDGSNCZLX-NSHDSACASA-N 1 0 380.242 2.945 20 0 GFADRO CC(C)(C)n1cc(Br)c(C(=O)N[C@@H]2[C@H]3CCC[NH2+][C@H]3C2(C)C)n1 ZINC000864088672 662354262 /nfs/dbraw/zinc/35/42/62/662354262.db2.gz HHXXLLNIYFLQQK-ZLKJLUDKSA-N 1 0 383.334 2.907 20 0 GFADRO C/C(=C\c1ccc(Br)o1)C(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000864863985 662388916 /nfs/dbraw/zinc/38/89/16/662388916.db2.gz UNRVGDYALPTREV-BUHFOSPRSA-N 1 0 384.318 2.589 20 0 GFADRO C[NH+](C)CCn1cc(NC(=O)[C@H]2[C@@H]3c4cc(Br)ccc4C[C@H]23)cn1 ZINC000865084974 662397901 /nfs/dbraw/zinc/39/79/01/662397901.db2.gz JCWFGEAPVWELKV-GVDBMIGSSA-N 1 0 389.297 2.732 20 0 GFADRO CC[C@@H](C)[N@H+](C)CCNC(=O)c1cnn(C(C)C)c1I ZINC000865125919 662400192 /nfs/dbraw/zinc/40/01/92/662400192.db2.gz LTJSNMYGNNWMGC-LLVKDONJSA-N 1 0 392.285 2.529 20 0 GFADRO C[NH+]1CCC(NC(=S)N[C@@H]2[C@H]3Cc4cc(Br)ccc4[C@@H]23)CC1 ZINC000865251761 662407759 /nfs/dbraw/zinc/40/77/59/662407759.db2.gz ZZAXDVCSBPVVMN-ARFHVFGLSA-N 1 0 380.355 2.646 20 0 GFADRO CC(=O)NCC1CCC([NH2+]CC(=O)Nc2cc(Br)ccc2C)CC1 ZINC000865438917 662421363 /nfs/dbraw/zinc/42/13/63/662421363.db2.gz KVDOQWVWCSHYRX-UHFFFAOYSA-N 1 0 396.329 2.981 20 0 GFADRO Cc1ccnc(CNC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c1Br ZINC000865473184 662423610 /nfs/dbraw/zinc/42/36/10/662423610.db2.gz LJYMJYXPKXSGAE-LJQANCHMSA-N 1 0 390.325 2.879 20 0 GFADRO COCC[C@H](C[NH2+][C@@H]1CC[C@@H]2SCCS[C@H]12)NC(=O)OC(C)(C)C ZINC000865512784 662425925 /nfs/dbraw/zinc/42/59/25/662425925.db2.gz DYEJIKLPALLLMX-APIJFGDWSA-N 1 0 376.588 2.885 20 0 GFADRO O[C@H]1CC[N@H+](Cc2ccccc2CNCc2cccnc2Br)C1 ZINC000865524900 662426492 /nfs/dbraw/zinc/42/64/92/662426492.db2.gz PLGQMWWUJCHRGR-KRWDZBQOSA-N 1 0 376.298 2.701 20 0 GFADRO Cn1ncc2cc(C[NH2+]C[C@@H](CO)Cc3ccccc3Br)cnc21 ZINC000865543620 662428003 /nfs/dbraw/zinc/42/80/03/662428003.db2.gz SNMJFJZVVNZDJP-AWEZNQCLSA-N 1 0 389.297 2.672 20 0 GFADRO O=C1CNC(=O)N1Cc1ccc(C[NH2+]Cc2ccc(Br)s2)cc1 ZINC000865772889 662442222 /nfs/dbraw/zinc/44/22/22/662442222.db2.gz BWLRJHUATRLTST-UHFFFAOYSA-N 1 0 394.294 2.852 20 0 GFADRO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)C(=O)c1cc(Cl)cc(Cl)c1 ZINC000865800233 662444142 /nfs/dbraw/zinc/44/41/42/662444142.db2.gz WPSXZCFZKXKYHO-UHFFFAOYSA-N 1 0 386.323 2.661 20 0 GFADRO C[N@@H+]1CCC[C@@H]1CNC(=O)c1c(F)ccc(I)c1Cl ZINC000865808249 662444637 /nfs/dbraw/zinc/44/46/37/662444637.db2.gz FHKPVFIJCFXBQR-MRVPVSSYSA-N 1 0 396.631 2.908 20 0 GFADRO C[NH+](C)C1(CNC(=O)[C@H]2[C@@H]3c4cc(Br)ccc4C[C@H]23)CCOCC1 ZINC000865877277 662449166 /nfs/dbraw/zinc/44/91/66/662449166.db2.gz WLMBBSUKLHWRAN-GVDBMIGSSA-N 1 0 393.325 2.562 20 0 GFADRO NS(=O)(=O)c1cc(Br)ccc1N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000865918139 662451360 /nfs/dbraw/zinc/45/13/60/662451360.db2.gz BKCWWNIOLFCKTD-TZMCWYRMSA-N 1 0 388.331 2.525 20 0 GFADRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)c2cc(Br)no2)CC1 ZINC000865959346 662453519 /nfs/dbraw/zinc/45/35/19/662453519.db2.gz KLVABBCAJKRCLB-NSHDSACASA-N 1 0 379.258 2.788 20 0 GFADRO COCC[N@H+](C)CCCC1CCN(C(=O)c2cc(Br)no2)CC1 ZINC000865964207 662453762 /nfs/dbraw/zinc/45/37/62/662453762.db2.gz DUYLDLGQLOOYQT-UHFFFAOYSA-N 1 0 388.306 2.648 20 0 GFADRO CC(=O)N[C@H](C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)c1cccc(Br)c1 ZINC000866058855 662458889 /nfs/dbraw/zinc/45/88/89/662458889.db2.gz GZBRZRSEGMXKBA-LRDDRELGSA-N 1 0 398.345 2.719 20 0 GFADRO O=S1(=O)CC[C@H]([NH2+][C@@H]2[C@H]3C[C@H]4CO[C@H]2[C@H]4C3)c2cc(Br)ccc21 ZINC000866446603 662473628 /nfs/dbraw/zinc/47/36/28/662473628.db2.gz VOIRMHFBOUXHCW-FDCSBDDESA-N 1 0 398.322 2.681 20 0 GFADRO Brc1cccc2c1C[C@H]([NH2+]C1CCN(c3cnccn3)CC1)CO2 ZINC000866594498 662482832 /nfs/dbraw/zinc/48/28/32/662482832.db2.gz GMDACIWVEBGFQD-AWEZNQCLSA-N 1 0 389.297 2.801 20 0 GFADRO CO[C@H](c1ccccc1)[C@H](C)[NH2+]Cc1c(I)cnn1C ZINC000866631209 662485974 /nfs/dbraw/zinc/48/59/74/662485974.db2.gz IWMYZKSEKGQUJU-NHYWBVRUSA-N 1 0 385.249 2.891 20 0 GFADRO O=S(=O)(c1ccc(C(F)(F)C(F)(F)F)cc1)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000866771970 662496536 /nfs/dbraw/zinc/49/65/36/662496536.db2.gz MCFGRYXVOPADNX-CYBMUJFWSA-N 1 0 384.370 2.857 20 0 GFADRO [NH3+]CC12CCC(CC1)N2S(=O)(=O)c1cccc(Br)c1Cl ZINC000866793654 662499252 /nfs/dbraw/zinc/49/92/52/662499252.db2.gz BOAUZOTTZPQHSQ-UHFFFAOYSA-N 1 0 379.707 2.747 20 0 GFADRO Cc1c(Br)cccc1CS(=O)(=O)N[C@H](C)C1CC[NH2+]CC1 ZINC000866811393 662500849 /nfs/dbraw/zinc/50/08/49/662500849.db2.gz UVZSRNMMUVCPBD-GFCCVEGCSA-N 1 0 375.332 2.565 20 0 GFADRO C[NH+](C)CCN(C1CCCC1)S(=O)(=O)c1cc2nc(Cl)ncc2s1 ZINC000866954204 662511263 /nfs/dbraw/zinc/51/12/63/662511263.db2.gz CZBWFMSFLPZTOD-UHFFFAOYSA-N 1 0 388.946 2.840 20 0 GFADRO C[N@@H+]1CC[C@H]2CN(S(=O)(=O)c3cc(Cl)ccc3Br)CC[C@H]21 ZINC000867810134 662578528 /nfs/dbraw/zinc/57/85/28/662578528.db2.gz XNCIFMMOYUFVBL-GXFFZTMASA-N 1 0 393.734 2.817 20 0 GFADRO COc1ccc(S(=O)(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)c(Cl)c1Cl ZINC000867813251 662579383 /nfs/dbraw/zinc/57/93/83/662579383.db2.gz SZESYOCUIKERTD-GHMZBOCLSA-N 1 0 379.309 2.717 20 0 GFADRO COCCOc1ccccc1CNC(=O)[C@H]([NH3+])c1cccc(Br)c1 ZINC000867947753 662588595 /nfs/dbraw/zinc/58/85/95/662588595.db2.gz KBCLKARHGRQTKB-QGZVFWFLSA-N 1 0 393.281 2.791 20 0 GFADRO CCO[C@H](C)c1noc(CN(C)C(=O)[C@@H]([NH3+])c2cccc(Br)c2)n1 ZINC000867954004 662589190 /nfs/dbraw/zinc/58/91/90/662589190.db2.gz HWBRJNWLGMFWKQ-YGRLFVJLSA-N 1 0 397.273 2.588 20 0 GFADRO CC(C)(C)c1nnc(CNC(=O)[C@@H]([NH3+])c2cccc(Br)c2)s1 ZINC000867965938 662589776 /nfs/dbraw/zinc/58/97/76/662589776.db2.gz JMDOXMAISNLYEL-LBPRGKRZSA-N 1 0 383.315 2.914 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)c2c(F)ccc(I)c2Cl)C1 ZINC000867968937 662589872 /nfs/dbraw/zinc/58/98/72/662589872.db2.gz IFTNCIQQYKVXRF-HTQZYQBOSA-N 1 0 396.631 2.893 20 0 GFADRO CCOc1c(Br)cc(C(=O)N[C@@H](C)C2CC[NH2+]CC2)cc1OC ZINC000868008260 662591310 /nfs/dbraw/zinc/59/13/10/662591310.db2.gz KVRBUVDWWNITJK-NSHDSACASA-N 1 0 385.302 2.974 20 0 GFADRO [NH3+][C@H](C(=O)Nc1nnc([C@H]2CCCO2)s1)c1cccc(Br)c1 ZINC000868050161 662592583 /nfs/dbraw/zinc/59/25/83/662592583.db2.gz FSFWLQCGACBNED-MNOVXSKESA-N 1 0 383.271 2.791 20 0 GFADRO COCCOc1ccc(Br)cc1NC(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000868143961 662596161 /nfs/dbraw/zinc/59/61/61/662596161.db2.gz BYTXKANHITYEBV-UKRRQHHQSA-N 1 0 398.301 2.833 20 0 GFADRO CC1(C)CC[C@H](CNC(=O)C(=O)Nc2nc(-c3cccs3)cs2)[NH2+]C1 ZINC000868268071 662599678 /nfs/dbraw/zinc/59/96/78/662599678.db2.gz XHGPFZJKAAQKEB-LLVKDONJSA-N 1 0 378.523 2.705 20 0 GFADRO [NH3+][C@H]1C[C@@H](CNC(=O)C(=O)Nc2ccc(Br)c(Cl)c2Cl)C1 ZINC000868303819 662601325 /nfs/dbraw/zinc/60/13/25/662601325.db2.gz PGPFCCLNJMAVPG-KNVOCYPGSA-N 1 0 395.084 2.548 20 0 GFADRO CN1CC[NH+](C2CCN(C(=O)NCc3cc(Cl)cc(Cl)c3)CC2)CC1 ZINC000868758751 662617998 /nfs/dbraw/zinc/61/79/98/662617998.db2.gz XSXDIGSBMAOZET-UHFFFAOYSA-N 1 0 385.339 2.915 20 0 GFADRO COc1cc(C[NH+](C)C)ccc1NC(=O)c1c(C)nn(C)c1Br ZINC000868816733 662620761 /nfs/dbraw/zinc/62/07/61/662620761.db2.gz MUCPKHHCMOCUBI-UHFFFAOYSA-N 1 0 381.274 2.814 20 0 GFADRO CC(C)OCC[NH+]1CCC(NC(=O)NCc2ccc(Br)cn2)CC1 ZINC000869117121 662629796 /nfs/dbraw/zinc/62/97/96/662629796.db2.gz TZYVEGOBMCDCTH-UHFFFAOYSA-N 1 0 399.333 2.533 20 0 GFADRO C[NH+](C)C[C@@H](NC(=O)CN1CCSC1=O)c1cccc(C(F)(F)F)c1 ZINC000869736726 662659512 /nfs/dbraw/zinc/65/95/12/662659512.db2.gz OGLJNAGAVDESSX-CYBMUJFWSA-N 1 0 375.416 2.593 20 0 GFADRO O=C(c1cc(Br)c[nH]c1=O)N1CC2(C1)C[NH+](Cc1ccccc1)C2 ZINC000869813266 662663229 /nfs/dbraw/zinc/66/32/29/662663229.db2.gz PDBWNVZDIGROEL-UHFFFAOYSA-N 1 0 388.265 2.508 20 0 GFADRO C[NH+](C)CCc1ccc(C(=O)NCC(=O)c2cncc(Br)c2)cc1 ZINC000870237010 662679937 /nfs/dbraw/zinc/67/99/37/662679937.db2.gz BOJYRLNOJSAYAU-UHFFFAOYSA-N 1 0 390.281 2.561 20 0 GFADRO COCC[NH+]1CCC(OC(=O)c2ccc3cncc(Br)c3n2)CC1 ZINC000870462246 662691042 /nfs/dbraw/zinc/69/10/42/662691042.db2.gz QCMQUCFLHZVOIP-UHFFFAOYSA-N 1 0 394.269 2.660 20 0 GFADRO Cc1[nH]c(=O)c(Br)cc1C(=O)N1CCC2(CC1)CC[NH+](C)CC2 ZINC000870507316 662692653 /nfs/dbraw/zinc/69/26/53/662692653.db2.gz KWEFGDXXPFALQU-UHFFFAOYSA-N 1 0 382.302 2.806 20 0 GFADRO [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)NCC2(c3cccc(Br)c3)CCOCC2)C1 ZINC000870870500 662704188 /nfs/dbraw/zinc/70/41/88/662704188.db2.gz YZBCFGCKFSUYND-ZSZQSSIHSA-N 1 0 393.325 2.741 20 0 GFADRO CC[C@H](C(=O)Nc1ccc(N2CC[C@@H](CO)C2)c(Br)c1)[NH+](C)C ZINC000870889322 662705969 /nfs/dbraw/zinc/70/59/69/662705969.db2.gz GYLSLTKDVAYIJB-IUODEOHRSA-N 1 0 384.318 2.546 20 0 GFADRO O=C(NCC[C@@H]1CC[NH2+]C1)c1c(F)ccc(I)c1Cl ZINC000870935435 662708898 /nfs/dbraw/zinc/70/88/98/662708898.db2.gz OUNGSCVDOKEKFA-QMMMGPOBSA-N 1 0 396.631 2.813 20 0 GFADRO O=C([C@@H]1[C@@H]2Cc3ccc(Br)cc3[C@@H]21)N1CCC2(C1)CC[NH2+]CC2 ZINC000870939000 662709299 /nfs/dbraw/zinc/70/92/99/662709299.db2.gz IRORGKHSXIFDPP-IXDOHACOSA-N 1 0 375.310 2.937 20 0 GFADRO Cc1cc2c(CC(=O)N3CCC[C@H](n4cc(C[NH3+])nn4)C3)csc2s1 ZINC000870946837 662710715 /nfs/dbraw/zinc/71/07/15/662710715.db2.gz UKQNXNRPDFEHNS-AWEZNQCLSA-N 1 0 375.523 2.728 20 0 GFADRO C[C@@]([NH3+])(C(=O)NC[C@@H]1C[C@H]1C1CCOCC1)c1ccc(Br)cc1 ZINC000870961912 662711753 /nfs/dbraw/zinc/71/17/53/662711753.db2.gz IVIGVHGEKLRWKG-OWQGQXMQSA-N 1 0 381.314 2.802 20 0 GFADRO [NH3+][C@H]1C[C@H](CNC(=O)c2cccc(NC(=O)c3ccc(Br)o3)c2)C1 ZINC000870970253 662711881 /nfs/dbraw/zinc/71/18/81/662711881.db2.gz MLKAWLGLDWWMSL-UMSPYCQHSA-N 1 0 392.253 2.762 20 0 GFADRO O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cnn(-c2ccc(Br)cc2)c1 ZINC000870976227 662712116 /nfs/dbraw/zinc/71/21/16/662712116.db2.gz WAQDLULULJFEFB-BZWBGLRVSA-N 1 0 389.297 2.895 20 0 GFADRO COc1cc(I)ccc1-c1nc([C@@H]2CCC[NH2+]C2)no1 ZINC000871789810 662734080 /nfs/dbraw/zinc/73/40/80/662734080.db2.gz PLHCHWODADELTG-SECBINFHSA-N 1 0 385.205 2.817 20 0 GFADRO CN(C1CCC([NH3+])CC1)S(=O)(=O)c1cc2c(cc1Cl)CCCC(=O)N2 ZINC000871804172 662734559 /nfs/dbraw/zinc/73/45/59/662734559.db2.gz CPDXUHGZLQPNSS-UHFFFAOYSA-N 1 0 385.917 2.505 20 0 GFADRO Cc1c2cc(F)ccc2oc1S(=O)(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000871813137 662735216 /nfs/dbraw/zinc/73/52/16/662735216.db2.gz GGONICQRSHVUET-BXKDBHETSA-N 1 0 380.363 2.638 20 0 GFADRO Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000871814232 662735526 /nfs/dbraw/zinc/73/55/26/662735526.db2.gz RALPCOUDWIRUAG-ONGXEEELSA-N 1 0 390.349 2.772 20 0 GFADRO COC[C@@H](N[C@H]1CCN(CC(F)(F)F)C1=O)c1cccc(Br)c1 ZINC000871924024 662742418 /nfs/dbraw/zinc/74/24/18/662742418.db2.gz ANCBCFDDMRXNLB-QWHCGFSZSA-N 1 0 395.219 2.889 20 0 GFADRO COC[C@@H]([NH2+][C@@H](Cc1ccccc1)C(N)=O)c1cccc(Br)c1 ZINC000871924598 662742700 /nfs/dbraw/zinc/74/27/00/662742700.db2.gz LWBYOCLLCNOANV-DLBZAZTESA-N 1 0 377.282 2.823 20 0 GFADRO CCc1nncn1CC[NH2+][C@@H](c1cccc(Br)c1)[C@H]1CCOC1 ZINC000872039755 662754486 /nfs/dbraw/zinc/75/44/86/662754486.db2.gz VEXMHCBUOUKGMB-YOEHRIQHSA-N 1 0 379.302 2.970 20 0 GFADRO CC1(C)C[C@H]([NH2+]CCNS(=O)(=O)Cc2ccon2)c2ccccc2S1 ZINC000872041480 662754585 /nfs/dbraw/zinc/75/45/85/662754585.db2.gz ILXOCUYAFPSHHH-HNNXBMFYSA-N 1 0 381.523 2.699 20 0 GFADRO O=C1C[C@H]([NH2+][C@H](c2cccc(Br)c2)[C@H]2CCOC2)CN1C1CC1 ZINC000872050402 662754826 /nfs/dbraw/zinc/75/48/26/662754826.db2.gz ZWKRZCMKIZUNIW-DHSIGJKJSA-N 1 0 379.298 2.880 20 0 GFADRO C[C@H](c1ccc(Cl)cc1)N(C)C(=O)CN1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000872147679 662756465 /nfs/dbraw/zinc/75/64/65/662756465.db2.gz CVZXUOREUJVWNU-UXIGCNINSA-N 1 0 377.838 2.928 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CN1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000872148130 662756630 /nfs/dbraw/zinc/75/66/30/662756630.db2.gz NQJKUAHVEYOTCH-ZYHUDNBSSA-N 1 0 394.235 2.765 20 0 GFADRO CC(C)(O)C[C@H](O)C[NH2+]C1CCN(Cc2ccc(Br)cc2)CC1 ZINC000872202754 662757806 /nfs/dbraw/zinc/75/78/06/662757806.db2.gz JXSWMNLHFCPKEE-KRWDZBQOSA-N 1 0 385.346 2.525 20 0 GFADRO C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)[C@H]1[C@@H]3c4cc(Br)ccc4C[C@H]13)C2 ZINC000872264521 662759363 /nfs/dbraw/zinc/75/93/63/662759363.db2.gz VAVVZFOQRQNGBB-AFQPOQBFSA-N 1 0 375.310 2.793 20 0 GFADRO COc1cc(S(=O)(=O)N2CCC(C)([NH+]3CCCCC3)CC2)cnc1Cl ZINC000872530297 662775358 /nfs/dbraw/zinc/77/53/58/662775358.db2.gz QTABIIHDQGWQNA-UHFFFAOYSA-N 1 0 387.933 2.773 20 0 GFADRO CN1CCCC[C@H]([N@H+](C)Cn2ccc(=O)c3cccc(Br)c32)C1=O ZINC000872674955 662784704 /nfs/dbraw/zinc/78/47/04/662784704.db2.gz QNDMHTKKZJXGRH-HNNXBMFYSA-N 1 0 392.297 2.664 20 0 GFADRO CC1([NH+]2CCCCC2)CCN(C(=O)NCc2n[nH]cc2Br)CC1 ZINC000872901954 662793306 /nfs/dbraw/zinc/79/33/06/662793306.db2.gz QPPWCYZTGKMGHR-UHFFFAOYSA-N 1 0 384.322 2.722 20 0 GFADRO CC(=O)N1CCC([NH2+]Cc2cccc(F)c2I)CC1 ZINC000873008999 662796240 /nfs/dbraw/zinc/79/62/40/662796240.db2.gz FHKKKUYZDYLTJZ-UHFFFAOYSA-N 1 0 376.213 2.531 20 0 GFADRO Cc1ccc(F)c(Br)c1NC(=O)C(=O)N(C)CCCCCC[NH3+] ZINC000873111620 662800355 /nfs/dbraw/zinc/80/03/55/662800355.db2.gz QEJXBDCQXFNXGU-UHFFFAOYSA-N 1 0 388.281 2.813 20 0 GFADRO [NH3+]C[C@@H]1CN(Cc2cn(-c3ccc(F)c(Cl)c3)nn2)C[C@@H]1C(F)(F)F ZINC000873228939 662804250 /nfs/dbraw/zinc/80/42/50/662804250.db2.gz WNEQDJSUTSPOMJ-SKDRFNHKSA-N 1 0 377.773 2.629 20 0 GFADRO COc1cc(NC(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)cc(OC)c1Cl ZINC000873329661 662805654 /nfs/dbraw/zinc/80/56/54/662805654.db2.gz AVTDORDPUYKAPF-SCZZXKLOSA-N 1 0 381.782 2.958 20 0 GFADRO Cc1c(Br)nccc1NC(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000873329517 662805666 /nfs/dbraw/zinc/80/56/66/662805666.db2.gz WOZDLFRXTDTMLE-IUCAKERBSA-N 1 0 381.196 2.753 20 0 GFADRO CCC[NH+]1CCC(NC(=O)C(=O)Nc2cc(CC)ccc2Br)CC1 ZINC000873726204 662812719 /nfs/dbraw/zinc/81/27/19/662812719.db2.gz FENBPLLYKXLTPP-UHFFFAOYSA-N 1 0 396.329 2.941 20 0 GFADRO C[C@H](CCNC(=O)C(=O)Nc1c(F)cc(Cl)cc1Br)[NH+](C)C ZINC000873940838 662819376 /nfs/dbraw/zinc/81/93/76/662819376.db2.gz ZKZUCQXFVCMWKE-MRVPVSSYSA-N 1 0 394.672 2.637 20 0 GFADRO COc1ccc(C[NH+]2CCC(CNC(=O)C3(Br)CC3)CC2)cc1 ZINC000874247398 662826596 /nfs/dbraw/zinc/82/65/96/662826596.db2.gz SDJAFYJSIARDMT-UHFFFAOYSA-N 1 0 381.314 2.951 20 0 GFADRO CCn1ncc(C(=O)Nc2ccnn2C2CC[NH+](CC)CC2)c1Br ZINC000874307613 662828265 /nfs/dbraw/zinc/82/82/65/662828265.db2.gz NNYYODYXMXBMDF-UHFFFAOYSA-N 1 0 395.305 2.771 20 0 GFADRO CC[NH+]1CCC(n2nccc2NC(=O)c2cc(N)nc(Br)c2)CC1 ZINC000874307524 662828279 /nfs/dbraw/zinc/82/82/79/662828279.db2.gz KJXMOJBVGPDVQP-UHFFFAOYSA-N 1 0 393.289 2.532 20 0 GFADRO COc1cc(Br)c(C(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3C)cc1OC ZINC000874827345 662837592 /nfs/dbraw/zinc/83/75/92/662837592.db2.gz RDITXWIBAICFMN-KGLIPLIRSA-N 1 0 383.286 2.775 20 0 GFADRO C[N@@H+]1CCC[C@H]2[C@H]1CCN2C(=O)c1ccn(-c2ccc(Br)cc2)n1 ZINC000874827137 662837647 /nfs/dbraw/zinc/83/76/47/662837647.db2.gz BXXJBEUODGUTCA-SJORKVTESA-N 1 0 389.297 2.944 20 0 GFADRO Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)Nc2c(F)cccc2Br)cn1 ZINC000875427104 662845842 /nfs/dbraw/zinc/84/58/42/662845842.db2.gz VSGHFRITQNIYHO-QWHCGFSZSA-N 1 0 395.276 2.996 20 0 GFADRO CC(C)[NH2+]C1CCN(C(=O)N[C@H]2COc3cccc(Br)c3C2)CC1 ZINC000876227571 662857218 /nfs/dbraw/zinc/85/72/18/662857218.db2.gz FBQUXMGSBKXHHP-CQSZACIVSA-N 1 0 396.329 2.925 20 0 GFADRO COC[C@H](NC(=O)N1CC[C@@H](C[NH+](C)C)C1)c1cccc(Br)c1 ZINC000876232536 662857552 /nfs/dbraw/zinc/85/75/52/662857552.db2.gz IOWATGPKWWVXIB-BBRMVZONSA-N 1 0 384.318 2.730 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2ncc(Br)s2)C[C@@H]1C ZINC000876285462 662858856 /nfs/dbraw/zinc/85/88/56/662858856.db2.gz CJHSRSIQTBDZMV-QWRGUYRKSA-N 1 0 375.336 2.920 20 0 GFADRO CCOC(=O)Cc1csc(N(CC[NH+](C)C)C(=O)c2ccsc2C)n1 ZINC000876317059 662859635 /nfs/dbraw/zinc/85/96/35/662859635.db2.gz VEGXAMQEHCUKNV-UHFFFAOYSA-N 1 0 381.523 2.827 20 0 GFADRO O=C(NCc1ccc(C(F)(F)F)s1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000876343503 662860179 /nfs/dbraw/zinc/86/01/79/662860179.db2.gz VTPUQDMHDLTVIT-LBPRGKRZSA-N 1 0 377.432 2.631 20 0 GFADRO Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)NCc1cccc(Br)c1 ZINC000876575681 662863071 /nfs/dbraw/zinc/86/30/71/662863071.db2.gz OYNYOZJZBTXHRL-OAHLLOKOSA-N 1 0 377.286 2.809 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)/C=C\[C@H]1CCC[NH2+]C1 ZINC000876636185 662863897 /nfs/dbraw/zinc/86/38/97/662863897.db2.gz RRHOFWUBWHEVSP-BRLPQQTGSA-N 1 0 394.313 2.758 20 0 GFADRO COc1cc(Br)c(CNC(=O)/C=C\[C@@H]2CCC[NH2+]C2)cc1OC ZINC000876643446 662864098 /nfs/dbraw/zinc/86/40/98/662864098.db2.gz YLQAWZFLJUIVBE-FJOGCWAESA-N 1 0 383.286 2.638 20 0 GFADRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(Cc2cccnc2Br)CC1 ZINC000876653137 662864234 /nfs/dbraw/zinc/86/42/34/662864234.db2.gz OLILVAKOULXVCX-HOTGVXAUSA-N 1 0 381.362 2.835 20 0 GFADRO C[N@@H+]1CCC[C@H](N2CCN(Cc3nc(Cl)ccc3Br)CC2)C1 ZINC000876715484 662865424 /nfs/dbraw/zinc/86/54/24/662865424.db2.gz MVIXYPXGVVMWEX-ZDUSSCGKSA-N 1 0 387.753 2.709 20 0 GFADRO [NH3+]C[C@@H]1[C@H](C(=O)NC2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)C1(F)F ZINC000876757095 662865868 /nfs/dbraw/zinc/86/58/68/662865868.db2.gz BJHMWVQDILIJNY-IUODEOHRSA-N 1 0 392.277 2.914 20 0 GFADRO COC(=O)c1ccc(C[N@@H+]2CCC[C@H](Cn3ccnn3)C2)cc1Br ZINC000876813301 662866968 /nfs/dbraw/zinc/86/69/68/662866968.db2.gz BBETVLNGGNNMTI-AWEZNQCLSA-N 1 0 393.285 2.739 20 0 GFADRO CC(C)n1ncc(C(=O)NC[C@H]2[NH2+]CCc3ccccc32)c1Br ZINC000876847069 662867357 /nfs/dbraw/zinc/86/73/57/662867357.db2.gz VMVODBKZLNADFG-OAHLLOKOSA-N 1 0 377.286 2.843 20 0 GFADRO COCCOc1ccc(Br)cc1NC(=O)/C=C\[C@H]1CCC[NH2+]C1 ZINC000876877143 662867512 /nfs/dbraw/zinc/86/75/12/662867512.db2.gz OEMMOFOLBLJYDN-LLPBQKLSSA-N 1 0 383.286 2.969 20 0 GFADRO CCN1CC[C@@H](NC(=O)[C@@H]2[C@H](C[NH3+])C2(F)F)[C@H]1c1ccc(Cl)c(F)c1 ZINC000876892048 662867795 /nfs/dbraw/zinc/86/77/95/662867795.db2.gz GFHQAVLRJMUDBR-OADPDTJPSA-N 1 0 375.822 2.571 20 0 GFADRO C[C@]12CCN(C(=O)[C@@H]3C[C@H]([NH3+])C3(C)C)C[C@H]1C2(Br)Br ZINC000876959621 662868640 /nfs/dbraw/zinc/86/86/40/662868640.db2.gz WKYFHECENNNIDX-WJZNIJOASA-N 1 0 394.151 2.714 20 0 GFADRO Cn1ncc(C(F)(F)F)c1CNC(=O)[C@@H]([NH3+])c1cccc(Br)c1 ZINC000876991585 662869330 /nfs/dbraw/zinc/86/93/30/662869330.db2.gz QNESAJOWEARPOF-LBPRGKRZSA-N 1 0 391.191 2.518 20 0 GFADRO CN(C)C(=O)[C@@H]1CCCN1CCC[NH2+]Cc1cc2nc(Cl)ccc2s1 ZINC000876996436 662869508 /nfs/dbraw/zinc/86/95/08/662869508.db2.gz VFQKBGWWUFHRRS-HNNXBMFYSA-N 1 0 380.945 2.982 20 0 GFADRO CCO[P@](C)(=O)CC[C@H](C)[NH2+]Cc1ccc(N(C)S(C)(=O)=O)cc1 ZINC000877009412 662869563 /nfs/dbraw/zinc/86/95/63/662869563.db2.gz ZWPVUOSGPYCTJU-PSLXWICFSA-N 1 0 376.459 2.895 20 0 GFADRO O=S(=O)(c1ccccc1)N1CCC(C[NH2+]Cc2nc(Cl)cs2)CC1 ZINC000877022536 662869824 /nfs/dbraw/zinc/86/98/24/662869824.db2.gz YGLJUYJNYQJJFD-UHFFFAOYSA-N 1 0 385.942 2.987 20 0 GFADRO C[C@@H]([NH2+]Cc1cnn2cc(Br)cnc12)[C@H](O)c1ccc(F)cc1 ZINC000877034510 662869974 /nfs/dbraw/zinc/86/99/74/662869974.db2.gz JFOZACNSWSSDRF-BMIGLBTASA-N 1 0 379.233 2.843 20 0 GFADRO CN1CC[C@@H]([NH2+]Cc2cccc(S(N)(=O)=O)c2)[C@@H]1c1ccc(Cl)cc1 ZINC000877119144 662871298 /nfs/dbraw/zinc/87/12/98/662871298.db2.gz BQAOAGXEIFZVDO-MSOLQXFVSA-N 1 0 379.913 2.522 20 0 GFADRO O=C(c1cnn(-c2ccccc2)c1Br)N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000877265747 662872791 /nfs/dbraw/zinc/87/27/91/662872791.db2.gz MUFLJBXQWLHVIO-BBRMVZONSA-N 1 0 389.297 2.849 20 0 GFADRO Cc1c(C(=O)N2CCC[C@@H]3[NH2+]CC[C@@H]32)cnn1-c1ccc(Br)cc1 ZINC000877285497 662873185 /nfs/dbraw/zinc/87/31/85/662873185.db2.gz URZWZMSJZCWGQL-IRXDYDNUSA-N 1 0 389.297 2.910 20 0 GFADRO O=C(NCC1(c2ccc(Br)cc2)CC1)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC000877306186 662873412 /nfs/dbraw/zinc/87/34/12/662873412.db2.gz IOVDSXYVVPCTKJ-LBPRGKRZSA-N 1 0 389.297 2.711 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)c2c(Cl)nc3cc(Cl)ccn32)C[C@@H]1C(F)(F)F ZINC000877357355 662874366 /nfs/dbraw/zinc/87/43/66/662874366.db2.gz SALNEYMMMAHLTN-APPZFPTMSA-N 1 0 381.185 2.850 20 0 GFADRO CN(C)[C@H](C(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1)c1c(F)cccc1Cl ZINC000877359345 662874420 /nfs/dbraw/zinc/87/44/20/662874420.db2.gz GJEPOSYQOFNMFW-BHDSKKPTSA-N 1 0 381.801 2.677 20 0 GFADRO COc1ccc(SC)c(OC)c1C(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000877360072 662874514 /nfs/dbraw/zinc/87/45/14/662874514.db2.gz VXMPSALNZVCPDI-NXEZZACHSA-N 1 0 378.416 2.635 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)Cc2cn3cc(Cl)cc(Cl)c3n2)C[C@H]1C(F)(F)F ZINC000877361382 662874540 /nfs/dbraw/zinc/87/45/40/662874540.db2.gz SCWZFURDZWUGHM-GZMMTYOYSA-N 1 0 395.212 2.779 20 0 GFADRO Cc1c(C(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)cnn1-c1ccc(Br)cc1 ZINC000877378944 662875030 /nfs/dbraw/zinc/87/50/30/662875030.db2.gz HAALSWKMFHJQQQ-SCLBCKFNSA-N 1 0 389.297 2.625 20 0 GFADRO O=C([C@H](C[NH2+]C[C@H]1CC1(Cl)Cl)Cc1cccc(F)c1)N1CCOCC1 ZINC000877485559 662877057 /nfs/dbraw/zinc/87/70/57/662877057.db2.gz ZETFXSCSCJOBBA-LSDHHAIUSA-N 1 0 389.298 2.627 20 0 GFADRO COC(=O)c1ccc(C[NH2+]C[C@@H]2CCCN(C(C)=O)C2)cc1Br ZINC000877491208 662877089 /nfs/dbraw/zinc/87/70/89/662877089.db2.gz OICMXUFOWMHCPO-AWEZNQCLSA-N 1 0 383.286 2.584 20 0 GFADRO Cc1sc(CN2CC[NH+]([C@H]3CCNC(=O)CC3)CC2)cc1Br ZINC000877572485 662879141 /nfs/dbraw/zinc/87/91/41/662879141.db2.gz FSVVUAABMLKRRG-CYBMUJFWSA-N 1 0 386.359 2.605 20 0 GFADRO CCON(C)C(=O)C[NH2+][C@H]1CCN(C)[C@H](c2ccc(Br)cc2)C1 ZINC000877612124 662879916 /nfs/dbraw/zinc/87/99/16/662879916.db2.gz KJRSBMHYOXBITM-HOTGVXAUSA-N 1 0 384.318 2.584 20 0 GFADRO COC(=O)c1ccc(C[N@@H+]2CC[C@H](CN3CCCC3=O)C2)cc1Br ZINC000877638443 662880460 /nfs/dbraw/zinc/88/04/60/662880460.db2.gz GXYGEPKQSSZPRA-AWEZNQCLSA-N 1 0 395.297 2.680 20 0 GFADRO COC(=O)[C@@H]1OCC[C@@H]1C[NH2+]Cc1cccc(Br)c1OC(F)F ZINC000877726311 662882559 /nfs/dbraw/zinc/88/25/59/662882559.db2.gz IABPIPZNHHFTGB-ZWNOBZJWSA-N 1 0 394.212 2.718 20 0 GFADRO CN1CC[NH+](C2CCN(Cc3ccc(I)cc3)CC2)CC1 ZINC000877746846 662882792 /nfs/dbraw/zinc/88/27/92/662882792.db2.gz ZFGPDQUNSBCWMO-UHFFFAOYSA-N 1 0 399.320 2.503 20 0 GFADRO COC[C@@H](NC1CC[NH+](CC(C)(C)O)CC1)c1cccc(Br)c1 ZINC000877758680 662882970 /nfs/dbraw/zinc/88/29/70/662882970.db2.gz KCLUZPJSDGYYCZ-QGZVFWFLSA-N 1 0 385.346 2.962 20 0 GFADRO Cn1nc2c(c1C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1)CSCC2 ZINC000877943375 662886534 /nfs/dbraw/zinc/88/65/34/662886534.db2.gz GBCYHXAQRYOCDX-HNNXBMFYSA-N 1 0 376.551 2.838 20 0 GFADRO C[C@H](c1ccc([S@@](C)=O)cc1)[N@H+](C)C[C@@H](O)c1cc(Br)no1 ZINC000878160308 662891050 /nfs/dbraw/zinc/89/10/50/662891050.db2.gz LJKGQHCVBQMZAZ-YWMBAGOOSA-N 1 0 387.299 2.901 20 0 GFADRO CCN(CC)C(=O)C1([NH2+]C[C@@H](O)c2cc(Br)no2)CCCCC1 ZINC000878248606 662892498 /nfs/dbraw/zinc/89/24/98/662892498.db2.gz ASAYENWJXOBAMG-GFCCVEGCSA-N 1 0 388.306 2.631 20 0 GFADRO CC(C)[NH+]1CCC(N2CCN(Cc3ncccc3Br)CC2)CC1 ZINC000878273610 662892890 /nfs/dbraw/zinc/89/28/90/662892890.db2.gz ACSICMBQWVIPQE-UHFFFAOYSA-N 1 0 381.362 2.835 20 0 GFADRO COc1cc(F)c([C@H](C)[NH2+]C[C@H](O)c2cc(Br)no2)cc1OC ZINC000878364026 662894574 /nfs/dbraw/zinc/89/45/74/662894574.db2.gz MTWPMULHZKREFI-KWQFWETISA-N 1 0 389.221 2.978 20 0 GFADRO OC[C@@H]([NH2+]C[C@H](O)c1cc(Br)no1)c1ccc(C(F)(F)F)cc1 ZINC000878397199 662895331 /nfs/dbraw/zinc/89/53/31/662895331.db2.gz OTZYHGJNSQCRDV-MNOVXSKESA-N 1 0 395.175 2.813 20 0 GFADRO Cn1c2ccccc2nc1C(C)(C)[NH2+]C[C@@H](O)c1cc(Br)no1 ZINC000878443164 662896457 /nfs/dbraw/zinc/89/64/57/662896457.db2.gz VVUBYKITXMXHLT-GFCCVEGCSA-N 1 0 379.258 2.882 20 0 GFADRO CN(C[C@@H]1CCC[N@H+](Cc2ccc3ccc(Cl)cc3n2)C1)S(C)(=O)=O ZINC000878598954 662899815 /nfs/dbraw/zinc/89/98/15/662899815.db2.gz RCTJVENGPOYDNH-AWEZNQCLSA-N 1 0 381.929 2.992 20 0 GFADRO C[C@](CO)([NH2+]C[C@@H]1CCC2(CCOCC2)O1)c1ccc(Br)cc1 ZINC000878603685 662900030 /nfs/dbraw/zinc/90/00/30/662900030.db2.gz GILBOUSOIRWHJJ-DLBZAZTESA-N 1 0 384.314 2.974 20 0 GFADRO OC[C@@H]([NH2+]C[C@H](O)CC1(CO)CCCC1)c1ccc(Br)c(F)c1 ZINC000878644847 662901501 /nfs/dbraw/zinc/90/15/01/662901501.db2.gz CWSXFUYCFGDDJP-CZUORRHYSA-N 1 0 390.293 2.515 20 0 GFADRO COC(=O)c1cc(Br)ccc1NC(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879010406 662913097 /nfs/dbraw/zinc/91/30/97/662913097.db2.gz BPKNUSGSUPAVTI-NHYWBVRUSA-N 1 0 396.285 2.794 20 0 GFADRO Cc1cnc(Br)cc1NC(=O)N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000879278817 662922287 /nfs/dbraw/zinc/92/22/87/662922287.db2.gz UYVGXEUMXVYQMO-AWEZNQCLSA-N 1 0 397.317 2.917 20 0 GFADRO C[N@H+](CCCO)C1CCN(C(=O)c2ccc(OC(F)F)c(Cl)c2)CC1 ZINC000879306804 662922936 /nfs/dbraw/zinc/92/29/36/662922936.db2.gz KCCIEZAHWIFDMU-UHFFFAOYSA-N 1 0 376.831 2.860 20 0 GFADRO NC(=O)[C@H](C1CC1)[N@H+](C[C@@H](O)c1ccc(F)c(Br)c1)CC1CC1 ZINC000879486311 662926961 /nfs/dbraw/zinc/92/69/61/662926961.db2.gz LOJGAKWEEGHWDN-CVEARBPZSA-N 1 0 385.277 2.598 20 0 GFADRO C[C@H](NC(=O)CN1CC[C@H]2[C@@H](CC[N@@H+]2C)C1)c1ccc(Br)cc1 ZINC000879569021 662929609 /nfs/dbraw/zinc/92/96/09/662929609.db2.gz HOTMQJXVXQKNOS-QRTARXTBSA-N 1 0 380.330 2.652 20 0 GFADRO COC[C@@H]([NH2+]C[C@@H]1CCCS(=O)(=O)C1)c1cccc(Br)c1 ZINC000879663122 662935156 /nfs/dbraw/zinc/93/51/56/662935156.db2.gz BYDZAMZWSUVEAI-SWLSCSKDSA-N 1 0 376.316 2.551 20 0 GFADRO COCC[N@H+](Cc1cc2c(cc1Br)OCCO2)C1CCOCC1 ZINC000879706876 662937579 /nfs/dbraw/zinc/93/75/79/662937579.db2.gz UZKHYNVBYWFIOL-UHFFFAOYSA-N 1 0 386.286 2.848 20 0 GFADRO COCC[N@H+](CCC(=O)Nc1ccc(Br)cc1)C1CCOCC1 ZINC000879707310 662937612 /nfs/dbraw/zinc/93/76/12/662937612.db2.gz KQGFOBMDAWFYCJ-UHFFFAOYSA-N 1 0 385.302 2.905 20 0 GFADRO COCC[N@H+](C[C@@H](O)COc1cc(Cl)cc(Cl)c1)C1CCOCC1 ZINC000879711178 662937835 /nfs/dbraw/zinc/93/78/35/662937835.db2.gz CDEBKYVZXQFTAB-MRXNPFEDSA-N 1 0 378.296 2.861 20 0 GFADRO Cn1cc(NC(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)c(Br)n1 ZINC000880039353 662946199 /nfs/dbraw/zinc/94/61/99/662946199.db2.gz WISUCHXGTRXLIK-LBPRGKRZSA-N 1 0 382.262 2.734 20 0 GFADRO Cc1nc2sccn2c(=O)c1CC[N@@H+]1CC[C@H](C(F)(F)F)O[C@H](C)C1 ZINC000880067621 662950082 /nfs/dbraw/zinc/95/00/82/662950082.db2.gz VMNDIPFVQAVZRG-ZWNOBZJWSA-N 1 0 375.416 2.649 20 0 GFADRO OC[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1nnc(-c2c(Cl)cccc2Cl)o1 ZINC000880069729 662950271 /nfs/dbraw/zinc/95/02/71/662950271.db2.gz WJXVBNZFDFVVQT-NWDGAFQWSA-N 1 0 383.279 2.684 20 0 GFADRO O[C@@H](CN1CCC[C@H]([NH2+]C2CCOCC2)C1)c1ccc(Br)cc1 ZINC000880201248 662954317 /nfs/dbraw/zinc/95/43/17/662954317.db2.gz IKWBQZSAORWOTN-ROUUACIJSA-N 1 0 383.330 2.716 20 0 GFADRO C[N@@H+]1CC[C@H]2CN(C(=O)Nc3nnc(C(F)(F)C(F)(F)F)s3)CC[C@@H]21 ZINC000880226933 662955800 /nfs/dbraw/zinc/95/58/00/662955800.db2.gz UUALSUJNDCJOOJ-YUMQZZPRSA-N 1 0 385.362 2.750 20 0 GFADRO CCOC(=O)c1csc(CC2CC[NH+](C[C@@](C)(O)C(F)(F)F)CC2)n1 ZINC000880263602 662956678 /nfs/dbraw/zinc/95/66/78/662956678.db2.gz PNBPUBSHOVWVAY-OAHLLOKOSA-N 1 0 380.432 2.888 20 0 GFADRO CC1([NH+]2CCC2)CCN(C[C@@H](O)COc2ccc(Br)cc2)CC1 ZINC000880468938 662960583 /nfs/dbraw/zinc/96/05/83/662960583.db2.gz DRDGUUVTNJVFLO-MRXNPFEDSA-N 1 0 383.330 2.749 20 0 GFADRO O[C@@H](COc1cc(Cl)ccc1Cl)C[N@@H+]1C[C@H](O)CC2(CCOCC2)C1 ZINC000880588643 662963399 /nfs/dbraw/zinc/96/33/99/662963399.db2.gz FTKQDLXIYWMECN-HUUCEWRRSA-N 1 0 390.307 2.597 20 0 GFADRO CC[N@H+]1[C@H](C)CN(C(=O)C[C@@](O)(c2nc(C)cs2)C(F)(F)F)C[C@@H]1C ZINC000880608393 662964088 /nfs/dbraw/zinc/96/40/88/662964088.db2.gz AAMGHYWBYMBYOX-TYNCELHUSA-N 1 0 379.448 2.533 20 0 GFADRO CCCC[NH+]1CCC(NS(=O)(=O)N=[S@@](C)(=O)C2CCCCC2)CC1 ZINC000881819103 663004732 /nfs/dbraw/zinc/00/47/32/663004732.db2.gz FCSZBMXMNXFEJH-QHCPKHFHSA-N 1 0 379.592 2.516 20 0 GFADRO C[C@H]1C[C@@H](N(C)S(=O)(=O)c2cnc(Cl)cc2C(F)(F)F)CC[N@@H+]1C ZINC000881931677 663010152 /nfs/dbraw/zinc/01/01/52/663010152.db2.gz AWZZFJHUNWQRGA-UWVGGRQHSA-N 1 0 385.839 2.857 20 0 GFADRO C[C@@H](Nc1ccc2nnc(Br)n2n1)[C@@H](c1ccccc1)[NH+](C)C ZINC000882284549 663023434 /nfs/dbraw/zinc/02/34/34/663023434.db2.gz WGXNNYZJGWXMIX-ABAIWWIYSA-N 1 0 375.274 2.990 20 0 GFADRO CN(CCCC[NH+]1CCCCC1)C(=O)c1c(Br)nc2n1CCC2 ZINC000882625264 663033955 /nfs/dbraw/zinc/03/39/55/663033955.db2.gz FVPSAQICCPXPIC-UHFFFAOYSA-N 1 0 383.334 2.930 20 0 GFADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+]CCc1ccns1 ZINC000883239402 663051791 /nfs/dbraw/zinc/05/17/91/663051791.db2.gz FXEKLTDDKSLIIW-LLVKDONJSA-N 1 0 398.326 2.751 20 0 GFADRO COCCC[N@H+](C)CCNC(=O)N(C)Cc1cscc1Br ZINC000883458635 663055518 /nfs/dbraw/zinc/05/55/18/663055518.db2.gz RCZXKLNTYDPPNX-UHFFFAOYSA-N 1 0 378.336 2.620 20 0 GFADRO Cc1cccc(S(=O)(=O)N(CCC[NH3+])CC(F)(F)F)c1Br ZINC000883470896 663055669 /nfs/dbraw/zinc/05/56/69/663055669.db2.gz LNUDOUGMCPFKCJ-UHFFFAOYSA-N 1 0 389.237 2.659 20 0 GFADRO [NH3+]Cc1nc2c(s1)CCN(S(=O)(=O)Cc1ccc(Cl)c(Cl)c1)C2 ZINC000883481265 663055919 /nfs/dbraw/zinc/05/59/19/663055919.db2.gz DYTVSYOOGGNMET-UHFFFAOYSA-N 1 0 392.333 2.797 20 0 GFADRO O=C(c1ccc(OC(F)F)c(Br)c1)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000883510076 663056394 /nfs/dbraw/zinc/05/63/94/663056394.db2.gz HPIDHIHJMKXFCQ-WDEREUQCSA-N 1 0 375.213 2.732 20 0 GFADRO CCC1([NH3+])CCN(C(=O)Nc2ccc(Br)c(C(=O)OC)c2)CC1 ZINC000883551098 663057049 /nfs/dbraw/zinc/05/70/49/663057049.db2.gz GVLHSJCBIUOXNE-UHFFFAOYSA-N 1 0 384.274 2.971 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)Nc1cc(Br)cc2c1NC(=O)CO2 ZINC000883592789 663057451 /nfs/dbraw/zinc/05/74/51/663057451.db2.gz SYCIUMBRGXXFIG-BXKDBHETSA-N 1 0 397.273 2.514 20 0 GFADRO C[NH2+]Cc1ccc(NC(=O)C(=O)N(C)Cc2cscc2Br)cc1 ZINC000883630224 663058476 /nfs/dbraw/zinc/05/84/76/663058476.db2.gz PHVPNNAQGHMRQZ-UHFFFAOYSA-N 1 0 396.310 2.827 20 0 GFADRO C[C@H]1CN(C(=O)NCc2ccc(Br)cn2)CCN1c1cc[nH+]cc1 ZINC000883759360 663060194 /nfs/dbraw/zinc/06/01/94/663060194.db2.gz UHUAXYNGXKXWDS-ZDUSSCGKSA-N 1 0 390.285 2.659 20 0 GFADRO O=C(CCc1cc(Br)c(Br)s1)N1CC[NH2+]CC1 ZINC000884007593 663063848 /nfs/dbraw/zinc/06/38/48/663063848.db2.gz HAWKGKOORZWBOU-UHFFFAOYSA-N 1 0 382.121 2.638 20 0 GFADRO C[NH+]1CCN(c2cc(CNC(=O)NCc3cscc3Cl)ccn2)CC1 ZINC000884060188 663064377 /nfs/dbraw/zinc/06/43/77/663064377.db2.gz RHTIDTOTYNNKJX-UHFFFAOYSA-N 1 0 379.917 2.548 20 0 GFADRO Cc1cc(Sc2ccccc2)ccc1NC(=O)[C@@H]([NH3+])CCS(C)(=O)=O ZINC000884103286 663065266 /nfs/dbraw/zinc/06/52/66/663065266.db2.gz GJQXRQTVIPPBDY-INIZCTEOSA-N 1 0 378.519 2.847 20 0 GFADRO CC(C)CC(=O)N1CCC(NC(=O)[C@@H]([NH3+])c2ccc(Br)cc2)CC1 ZINC000884107592 663065399 /nfs/dbraw/zinc/06/53/99/663065399.db2.gz AIUDVWCJIMCSRM-KRWDZBQOSA-N 1 0 396.329 2.602 20 0 GFADRO CCO[C@@H](C)c1noc(CN(C)C(=O)[C@@H]([NH3+])c2ccc(Br)cc2)n1 ZINC000884160781 663066207 /nfs/dbraw/zinc/06/62/07/663066207.db2.gz OBGOAPHDYVXFHM-HZMBPMFUSA-N 1 0 397.273 2.588 20 0 GFADRO C[C@H](NC(=O)[C@@H]([NH3+])CC1CC1)c1nc(-c2ccc(Br)cc2)no1 ZINC000884173723 663066571 /nfs/dbraw/zinc/06/65/71/663066571.db2.gz CJYKLLWBPRAHBX-ZANVPECISA-N 1 0 379.258 2.804 20 0 GFADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)NCCc1ccc(Cl)c(Cl)c1 ZINC000884273633 663067949 /nfs/dbraw/zinc/06/79/49/663067949.db2.gz UIBSBYMTJIYWDV-CQSZACIVSA-N 1 0 387.355 2.861 20 0 GFADRO CC1(C)[C@H]([NH3+])C[C@H]1NC(=O)c1nn(-c2ccc(F)cc2)cc1Br ZINC000884356061 663069592 /nfs/dbraw/zinc/06/95/92/663069592.db2.gz XQYRVLVFJJYGHC-CHWSQXEVSA-N 1 0 381.249 2.630 20 0 GFADRO Cc1c(C[NH3+])c(NC(=O)c2ccc(OC(F)F)c(Br)c2)nn1C ZINC000884394230 663070174 /nfs/dbraw/zinc/07/01/74/663070174.db2.gz YTEDMQKWLHMNII-UHFFFAOYSA-N 1 0 389.200 2.803 20 0 GFADRO CCC1([NH3+])CCN(C(=O)C(=O)N[C@@H]2CCSc3ccc(Cl)cc32)CC1 ZINC000884523108 663072051 /nfs/dbraw/zinc/07/20/51/663072051.db2.gz QFLIYYJXPPRFAJ-CQSZACIVSA-N 1 0 381.929 2.723 20 0 GFADRO C[NH+](C)CCC[C@H]1CN(c2nc3ccc(Br)cc3c(=O)[nH]2)CCO1 ZINC000884560619 663072587 /nfs/dbraw/zinc/07/25/87/663072587.db2.gz CULSFZAZIULMNA-ZDUSSCGKSA-N 1 0 395.301 2.645 20 0 GFADRO CN(C(=O)C(=O)NCc1csc(C(F)(F)F)c1)C1(C[NH3+])CCCCC1 ZINC000884823235 663075772 /nfs/dbraw/zinc/07/57/72/663075772.db2.gz PEKBYXKJZWOOEG-UHFFFAOYSA-N 1 0 377.432 2.503 20 0 GFADRO O=S(=O)(Cc1ccc(OC(F)(F)F)cc1)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000884950534 663079226 /nfs/dbraw/zinc/07/92/26/663079226.db2.gz PFQXVSCQCCTLFN-UONOGXRCSA-N 1 0 378.416 2.631 20 0 GFADRO C[N@@H+]1CC[C@H](CC(=O)N2CCC[C@@](O)(c3ccc(Br)cc3)C2)C1 ZINC000884968334 663080612 /nfs/dbraw/zinc/08/06/12/663080612.db2.gz AIRMNIQPEGHTCH-KDOFPFPSSA-N 1 0 381.314 2.601 20 0 GFADRO Cn1ncc(Br)c1CC(=O)O[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000885240475 663086970 /nfs/dbraw/zinc/08/69/70/663086970.db2.gz LXEJAUSOFYMNMF-CQSZACIVSA-N 1 0 378.270 2.543 20 0 GFADRO O=C(NC[C@H]1CC[N@@H+]1C1CCOCC1)C1(c2cccc(Br)c2)CC1 ZINC000885861052 663099446 /nfs/dbraw/zinc/09/94/46/663099446.db2.gz OERZXSRSTBZWRC-QGZVFWFLSA-N 1 0 393.325 2.850 20 0 GFADRO Cc1c(Br)cccc1CC(=O)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000885882469 663100221 /nfs/dbraw/zinc/10/02/21/663100221.db2.gz IJOYRMPIEPKOGV-INIZCTEOSA-N 1 0 381.314 2.670 20 0 GFADRO O=C(CCc1cccc(F)c1Br)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000885885219 663100382 /nfs/dbraw/zinc/10/03/82/663100382.db2.gz CNDBRUDWGARDPC-HNNXBMFYSA-N 1 0 399.304 2.890 20 0 GFADRO O=C(NC[C@@H]1CC[N@@H+]1C1CCOCC1)c1cc(F)c(Br)cc1F ZINC000885893578 663100696 /nfs/dbraw/zinc/10/06/96/663100696.db2.gz UDMXAADIKCDWPH-NSHDSACASA-N 1 0 389.240 2.710 20 0 GFADRO OC[C@H]([NH2+][C@H]1CCOC2(CCOCC2)C1)c1ccc(Br)c(F)c1 ZINC000886125148 663103673 /nfs/dbraw/zinc/10/36/73/663103673.db2.gz KFLXJHAYCWKRBG-BBRMVZONSA-N 1 0 388.277 2.939 20 0 GFADRO OC[C@@H]([NH2+][C@@H]1CCOC2(CCOCC2)C1)c1ccc(Br)c(F)c1 ZINC000886125150 663103737 /nfs/dbraw/zinc/10/37/37/663103737.db2.gz KFLXJHAYCWKRBG-CZUORRHYSA-N 1 0 388.277 2.939 20 0 GFADRO CC(=O)NCC[N@@H+](Cc1ccc(Br)s1)C[C@@H]1C[C@@]12CCOC2 ZINC000886190435 663104325 /nfs/dbraw/zinc/10/43/25/663104325.db2.gz QEDHZSMJMJFQLQ-XJKSGUPXSA-N 1 0 387.343 2.875 20 0 GFADRO O[C@@H](C[NH2+]Cc1ncc(I)s1)Cc1ccc(F)cc1 ZINC000886239393 663105543 /nfs/dbraw/zinc/10/55/43/663105543.db2.gz VZGFYQOYSFJXMO-LLVKDONJSA-N 1 0 392.237 2.580 20 0 GFADRO COc1nsc(C[NH2+]C[C@@H](O)Cc2ccc(F)cc2)c1Br ZINC000886236200 663105642 /nfs/dbraw/zinc/10/56/42/663105642.db2.gz BJJWPDZXGKBDMC-NSHDSACASA-N 1 0 375.263 2.747 20 0 GFADRO COC(=O)[C@@H]1CC[C@H]([NH2+]Cc2cc(C(F)(F)F)cc(S(C)(=O)=O)c2)C1 ZINC000886606585 663114659 /nfs/dbraw/zinc/11/46/59/663114659.db2.gz BLOMHQYLSGIWEC-YPMHNXCESA-N 1 0 379.400 2.540 20 0 GFADRO CNS(=O)(=O)c1ccc(C[N@@H+]2CCC[C@H](Cc3nc(C)cs3)C2)cc1 ZINC000886691576 663115623 /nfs/dbraw/zinc/11/56/23/663115623.db2.gz HHBQYDBVIQTNHQ-MRXNPFEDSA-N 1 0 379.551 2.814 20 0 GFADRO O=C1NCCN1CC[NH2+][C@@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC000886745132 663116882 /nfs/dbraw/zinc/11/68/82/663116882.db2.gz ORCWKLHGYQRVPB-OAHLLOKOSA-N 1 0 377.286 2.923 20 0 GFADRO CN(Cc1ccccc1Br)C(=O)C[N@@H+]1CC[C@H]([C@H]2CCCO2)C1 ZINC000886839604 663121921 /nfs/dbraw/zinc/12/19/21/663121921.db2.gz IKCHMYIQWWPZCN-DOTOQJQBSA-N 1 0 381.314 2.908 20 0 GFADRO COC[C@H]([NH2+]C[C@@H](O)COc1cc(Cl)ccc1Cl)[C@@H]1CCCOC1 ZINC000886906422 663124518 /nfs/dbraw/zinc/12/45/18/663124518.db2.gz WXKFHGDBJKVUON-XPKDYRNWSA-N 1 0 378.296 2.764 20 0 GFADRO CNC(=O)C1([NH2+]Cc2cccc3c(Br)cccc23)CCOCC1 ZINC000887089855 663132826 /nfs/dbraw/zinc/13/28/26/663132826.db2.gz XGFHMPRHLBCJBU-UHFFFAOYSA-N 1 0 377.282 2.987 20 0 GFADRO Brc1cncc(-c2nc(-c3cn(C[C@@H]4CCC[NH2+]4)nn3)cs2)c1 ZINC000887532578 663151361 /nfs/dbraw/zinc/15/13/61/663151361.db2.gz KLFMJEXRLOONNQ-LBPRGKRZSA-N 1 0 391.298 2.978 20 0 GFADRO COC(=O)c1cc(NC(=O)NC[C@H](C)C[NH+](C)C)c(Br)cc1F ZINC000887820188 663163447 /nfs/dbraw/zinc/16/34/47/663163447.db2.gz BTLUCBVMLPJVHI-VIFPVBQESA-N 1 0 390.253 2.694 20 0 GFADRO Cc1cc(Cl)c(NC(=O)NC[C@]2(O)CC[N@@H+](C)C2)cc1Br ZINC000888433972 663197859 /nfs/dbraw/zinc/19/78/59/663197859.db2.gz GHCCOSXLCOHGIP-CQSZACIVSA-N 1 0 376.682 2.599 20 0 GFADRO COCC[N@H+](C)CCCNC(=O)Nc1cccc(-c2nnsc2Cl)c1 ZINC000888862560 663220613 /nfs/dbraw/zinc/22/06/13/663220613.db2.gz JOMRWMCQWFJFGB-UHFFFAOYSA-N 1 0 383.905 2.948 20 0 GFADRO Cc1c(Br)cncc1NC(=O)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000888898224 663223889 /nfs/dbraw/zinc/22/38/89/663223889.db2.gz VEBBSWLNYLYOCF-GOSISDBHSA-N 1 0 390.281 2.728 20 0 GFADRO CCc1sc(C(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)cc1Br ZINC000889751033 663262925 /nfs/dbraw/zinc/26/29/25/663262925.db2.gz PGRLYGLARMLOHJ-CHWSQXEVSA-N 1 0 387.343 2.744 20 0 GFADRO Cc1c(F)c(Br)ccc1C(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000889748740 663262995 /nfs/dbraw/zinc/26/29/95/663262995.db2.gz HIVXKJFLUOCHML-GJZGRUSLSA-N 1 0 385.277 2.568 20 0 GFADRO Cc1c(F)c(Br)ccc1C(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000889748737 663263000 /nfs/dbraw/zinc/26/30/00/663263000.db2.gz HIVXKJFLUOCHML-CABCVRRESA-N 1 0 385.277 2.568 20 0 GFADRO Cc1ccc(CCC(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)c(Br)c1 ZINC000889754865 663263402 /nfs/dbraw/zinc/26/34/02/663263402.db2.gz CCRYMXONTRMVAQ-MSOLQXFVSA-N 1 0 395.341 2.748 20 0 GFADRO C[C@H](C(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO)c1ccc(Br)s1 ZINC000889767280 663265407 /nfs/dbraw/zinc/26/54/07/663265407.db2.gz GVFCOIHSMYRQEZ-RWMBFGLXSA-N 1 0 387.343 2.672 20 0 GFADRO O=C(c1cc2cc(Br)sc2[nH]1)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000889773243 663265500 /nfs/dbraw/zinc/26/55/00/663265500.db2.gz HMZLPYKQLGQRRD-QWHCGFSZSA-N 1 0 398.326 2.663 20 0 GFADRO COC(=O)[C@@H](c1cccc(Br)c1)N(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000889802479 663267838 /nfs/dbraw/zinc/26/78/38/663267838.db2.gz FQJQOROYNNAYAA-DUVNUKRYSA-N 1 0 397.313 2.852 20 0 GFADRO O=C(NCc1cscc1Cl)NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000890343299 663296541 /nfs/dbraw/zinc/29/65/41/663296541.db2.gz ULJWEJKCLTXXTH-INIZCTEOSA-N 1 0 379.913 2.968 20 0 GFADRO COc1ccc(Br)cc1CNC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000891459968 663340234 /nfs/dbraw/zinc/34/02/34/663340234.db2.gz MCTUYPGJCQIBGF-SHHSBJBSSA-N 1 0 382.302 2.788 20 0 GFADRO COc1cc(CNC(=O)N2CCC[C@H]3[NH2+]CC[C@H]32)cc(Br)c1OC ZINC000891466502 663340492 /nfs/dbraw/zinc/34/04/92/663340492.db2.gz XJACSQQOHSXXIB-ZIAGYGMSSA-N 1 0 398.301 2.502 20 0 GFADRO CCC1([NH3+])CCN(C(=O)N[C@@H]2CCN(c3ccccc3Br)C2)CC1 ZINC000891542535 663343260 /nfs/dbraw/zinc/34/32/60/663343260.db2.gz VHANABYOUKHKEU-CQSZACIVSA-N 1 0 395.345 2.941 20 0 GFADRO O=C(NCCc1nc(C(F)(F)F)cs1)N1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000891618577 663345519 /nfs/dbraw/zinc/34/55/19/663345519.db2.gz QUBIHFNTBRINRE-HNNXBMFYSA-N 1 0 376.448 2.880 20 0 GFADRO C[C@H](Cc1ccc(F)c(Br)c1)NC(=O)NCc1cc(N)cc[nH+]1 ZINC000891688650 663347439 /nfs/dbraw/zinc/34/74/39/663347439.db2.gz GVJCQYOFJFXFEW-SNVBAGLBSA-N 1 0 381.249 2.996 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)NCc2cc(Cl)cc3c2OCC3)C[C@@H]1C(F)(F)F ZINC000891781534 663350299 /nfs/dbraw/zinc/35/02/99/663350299.db2.gz BEVJORHFPSDGGJ-AAEUAGOBSA-N 1 0 377.794 2.554 20 0 GFADRO Cc1[nH+]ccc(NCC[C@@](O)(c2nccn2C)C(F)(F)F)c1Br ZINC000891830029 663352072 /nfs/dbraw/zinc/35/20/72/663352072.db2.gz UJCVZAFDURZIEY-CYBMUJFWSA-N 1 0 393.207 2.560 20 0 GFADRO O=C(NCCCCn1cc(Br)cn1)N1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000891863997 663353286 /nfs/dbraw/zinc/35/32/86/663353286.db2.gz DFKFXJGAJITNPD-KRWDZBQOSA-N 1 0 398.349 2.601 20 0 GFADRO CC(C)[C@@H](CNC(=O)NCc1ncc(Br)cn1)[NH+]1CCC(C)CC1 ZINC000891876262 663354031 /nfs/dbraw/zinc/35/40/31/663354031.db2.gz HFXAZTQVKWBJIF-OAHLLOKOSA-N 1 0 398.349 2.795 20 0 GFADRO C[C@H](NC(=O)N[C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21)[C@H]1CCC[NH2+]C1 ZINC000891980593 663357419 /nfs/dbraw/zinc/35/74/19/663357419.db2.gz FZECNQYQUXCBBF-BNHUKEAWSA-N 1 0 378.314 2.775 20 0 GFADRO F[C@@H]1CC2(CC[C@@H]1[NH+]1CCC(n3cc(Br)cn3)CC1)OCCO2 ZINC000892022963 663359478 /nfs/dbraw/zinc/35/94/78/663359478.db2.gz FQJCMWXHNJWKPT-CABCVRRESA-N 1 0 388.281 2.916 20 0 GFADRO [NH3+][C@@H](CNC(=O)N1CC2(CCOCC2)c2ccc(Br)cc21)C1CC1 ZINC000892048236 663360356 /nfs/dbraw/zinc/36/03/56/663360356.db2.gz ISOWFKFCLUSLAN-HNNXBMFYSA-N 1 0 394.313 2.764 20 0 GFADRO O=C(NCc1cc(C(F)(F)F)cc(Cl)n1)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000892186840 663365064 /nfs/dbraw/zinc/36/50/64/663365064.db2.gz DICQZMRKNQWQTQ-HOSYDEDBSA-N 1 0 376.810 2.941 20 0 GFADRO C[C@H]([NH3+])C[C@H](C)NC(=O)N(C)C[C@H](O)COc1cc(Cl)cc(Cl)c1 ZINC000892200734 663365755 /nfs/dbraw/zinc/36/57/55/663365755.db2.gz RFGVKNDVOZUFJA-MJVIPROJSA-N 1 0 378.300 2.500 20 0 GFADRO O=C(NCc1ccc(Br)cn1)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000892251290 663367183 /nfs/dbraw/zinc/36/71/83/663367183.db2.gz BQHAPIIYWPMMGS-IAGOWNOFSA-N 1 0 389.297 2.789 20 0 GFADRO [NH3+]CC12CCC(CC1)N2C(=O)N[C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21 ZINC000892321725 663369154 /nfs/dbraw/zinc/36/91/54/663369154.db2.gz FKBQWXRBDAGMRA-NKNNTRQPSA-N 1 0 376.298 2.753 20 0 GFADRO O=C(N[C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000892322771 663369394 /nfs/dbraw/zinc/36/93/94/663369394.db2.gz PRNMRXCNSDWVDL-WGHIXYSZSA-N 1 0 376.298 2.623 20 0 GFADRO CC1(C)C[NH2+]CC[C@H](NC(=O)N[C@H](CO)c2cccc(Br)c2)C1 ZINC000892495297 663375456 /nfs/dbraw/zinc/37/54/56/663375456.db2.gz OXPXQLRSJKDXSA-LSDHHAIUSA-N 1 0 384.318 2.560 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(C(=O)NCCSCCC(F)(F)F)C2)C1 ZINC000892541607 663376743 /nfs/dbraw/zinc/37/67/43/663376743.db2.gz CZANOVOAEAANSZ-MCIONIFRSA-N 1 0 383.480 2.600 20 0 GFADRO O=C(NCc1ccc(Br)cn1)N[C@@H]1CCCCC12CC[NH2+]CC2 ZINC000892617268 663378942 /nfs/dbraw/zinc/37/89/42/663378942.db2.gz VJRSODHAKJMMJU-OAHLLOKOSA-N 1 0 381.318 2.956 20 0 GFADRO CCOC(=O)c1ncc(Br)c(N(C)[C@@H]2CC[N@H+](CC)[C@H](C)C2)n1 ZINC000892642060 663379589 /nfs/dbraw/zinc/37/95/89/663379589.db2.gz KRBIQIJVVJKLRB-VXGBXAGGSA-N 1 0 385.306 2.725 20 0 GFADRO CCOC(=O)c1ncc(Br)c(N2CC[C@H](C[NH+]3CCCCC3)C2)n1 ZINC000892686907 663381723 /nfs/dbraw/zinc/38/17/23/663381723.db2.gz DQQMAJQDCFLUJH-CYBMUJFWSA-N 1 0 397.317 2.728 20 0 GFADRO CN(C)C(=O)C[C@@H]([NH2+]Cc1ncc(Br)cc1O)c1ccccc1 ZINC000892722442 663383199 /nfs/dbraw/zinc/38/31/99/663383199.db2.gz XKSFPOVILRJOTI-CQSZACIVSA-N 1 0 378.270 2.859 20 0 GFADRO O=S1CCC([NH2+]CC2(c3ccc(Br)cc3)CCOCC2)CC1 ZINC000892792951 663384890 /nfs/dbraw/zinc/38/48/90/663384890.db2.gz JLLZGKZNGXXAKQ-UHFFFAOYSA-N 1 0 386.355 2.998 20 0 GFADRO COCCCC1(C[NH2+]CC2CCN(S(=O)(=O)C(F)(F)F)CC2)CCC1 ZINC000892947381 663390741 /nfs/dbraw/zinc/39/07/41/663390741.db2.gz HANYZPANCZJGOQ-UHFFFAOYSA-N 1 0 386.480 2.735 20 0 GFADRO C[C@@H]1CCC[C@@H](CC[NH+](C)C)N1C(=O)c1nccn2c(Br)cnc12 ZINC000893013675 663393167 /nfs/dbraw/zinc/39/31/67/663393167.db2.gz LMSOONHETWKLMU-OLZOCXBDSA-N 1 0 394.317 2.827 20 0 GFADRO Cc1ncoc1C[N@@H+]1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000893961921 663433526 /nfs/dbraw/zinc/43/35/26/663433526.db2.gz GUTIXQFCAMQLFK-GFCCVEGCSA-N 1 0 379.258 2.991 20 0 GFADRO CCn1c(C[NH2+][C@@H](CO)C(C)(C)C)nc(Br)c1Br ZINC000894065603 663440468 /nfs/dbraw/zinc/44/04/68/663440468.db2.gz DFFIJUMTGIFSLP-QMMMGPOBSA-N 1 0 383.128 2.925 20 0 GFADRO O[C@]1(C[NH2+]Cc2sc(N3CCOCC3)nc2Cl)CCc2ccccc21 ZINC000894354980 663457082 /nfs/dbraw/zinc/45/70/82/663457082.db2.gz PYCZDWURQDUGSP-SFHVURJKSA-N 1 0 379.913 2.557 20 0 GFADRO CC(C)C[C@@H]1C[C@H]([NH2+]Cc2c(I)cnn2C)CCO1 ZINC000894376423 663459019 /nfs/dbraw/zinc/45/90/19/663459019.db2.gz QXXXIXCIAUEDHD-VXGBXAGGSA-N 1 0 377.270 2.708 20 0 GFADRO COC(=O)c1ccc(C[NH2+]C[C@@H]2CCCCS2(=O)=O)c(C(F)(F)F)c1 ZINC000894442619 663461816 /nfs/dbraw/zinc/46/18/16/663461816.db2.gz XXEAIUQSYQDSBR-ZDUSSCGKSA-N 1 0 379.400 2.549 20 0 GFADRO Cn1ncc(I)c1C[NH2+]CCc1ccc(F)c(F)c1F ZINC000894445267 663462154 /nfs/dbraw/zinc/46/21/54/663462154.db2.gz PLRQETZYKSQZQB-UHFFFAOYSA-N 1 0 395.166 2.774 20 0 GFADRO Cc1cnc([C@@H](C)C[NH2+]Cc2c(I)cnn2C)s1 ZINC000894460200 663463175 /nfs/dbraw/zinc/46/31/75/663463175.db2.gz IOCWRUGKGZZNQC-QMMMGPOBSA-N 1 0 376.267 2.683 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCc2c1ccc(F)c2Br)[C@H]1CCS(=O)(=O)C1 ZINC000894738782 663478068 /nfs/dbraw/zinc/47/80/68/663478068.db2.gz UTVNHIQYUPFSOS-PKFCDNJMSA-N 1 0 376.291 2.988 20 0 GFADRO Cn1nc(Br)nc1C[NH2+]C1(Cc2ccc(F)cc2)CCOCC1 ZINC000894858117 663485419 /nfs/dbraw/zinc/48/54/19/663485419.db2.gz ZGWQVDOACNZJCL-UHFFFAOYSA-N 1 0 383.265 2.598 20 0 GFADRO Cc1ccnc(N)c1C[NH2+]C[C@H](CO)Cc1cccc(Br)c1C ZINC000894927916 663488952 /nfs/dbraw/zinc/48/89/52/663488952.db2.gz MFIOKUFCNARFRZ-CQSZACIVSA-N 1 0 378.314 2.984 20 0 GFADRO CCn1c(Br)c(Br)nc1CN(C)C[C@H]1CCC[N@@H+]1C ZINC000894981292 663492974 /nfs/dbraw/zinc/49/29/74/663492974.db2.gz DIXQBCSTBANBMA-SNVBAGLBSA-N 1 0 394.155 2.954 20 0 GFADRO COC(=O)c1ccc(C[NH2+]CCC(C)(C)S(C)(=O)=O)c(C(F)(F)F)c1 ZINC000894991697 663493907 /nfs/dbraw/zinc/49/39/07/663493907.db2.gz JSTAOCSWTSLEMF-UHFFFAOYSA-N 1 0 381.416 2.795 20 0 GFADRO CC(=O)Nc1cc(Br)ccc1C[NH2+]CC(C)(C)[C@@]1(O)CCOC1 ZINC000895113061 663500096 /nfs/dbraw/zinc/50/00/96/663500096.db2.gz CPXMGVXVCUBXCX-QGZVFWFLSA-N 1 0 385.302 2.675 20 0 GFADRO C[C@@H](C[NH2+]Cc1sc(N2CCOCC2)nc1Cl)C(=O)OC(C)(C)C ZINC000895188639 663502115 /nfs/dbraw/zinc/50/21/15/663502115.db2.gz POLIIVVHPROVGQ-NSHDSACASA-N 1 0 375.922 2.701 20 0 GFADRO Cn1nc(Br)nc1C[NH2+][C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21 ZINC000895417235 663513306 /nfs/dbraw/zinc/51/33/06/663513306.db2.gz UWMLVVPSDNNJEF-JIMOISOXSA-N 1 0 398.102 2.768 20 0 GFADRO Cn1cc(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)c(Br)n1 ZINC000895469301 663516173 /nfs/dbraw/zinc/51/61/73/663516173.db2.gz YBFOTINKROYKMR-HNNXBMFYSA-N 1 0 377.286 2.750 20 0 GFADRO CC(=O)N1C[C@@H]2C[N@@H+](Cc3cc(OC(F)F)ccc3Br)C[C@@H]2C1 ZINC000895575511 663519391 /nfs/dbraw/zinc/51/93/91/663519391.db2.gz GCGHDFRVLPGCDA-BETUJISGSA-N 1 0 389.240 2.961 20 0 GFADRO C[C@H](C[C@@H]1CCCC(=O)N1)[NH2+][C@H]1CCc2cc(Br)ccc2NC1=O ZINC000895693740 663523333 /nfs/dbraw/zinc/52/33/33/663523333.db2.gz BLCRMGLHGZXIFI-WPGHFRTFSA-N 1 0 394.313 2.739 20 0 GFADRO O=C1NCC2(CCOCC2)[C@@H]1[NH2+]Cc1cc(Br)c(Cl)s1 ZINC000895767654 663526756 /nfs/dbraw/zinc/52/67/56/663526756.db2.gz AEEZBHXXHDEMBI-SNVBAGLBSA-N 1 0 379.707 2.549 20 0 GFADRO Cn1cc(C[NH2+]C[C@@]2(C)CCOC3(CCC3)C2)c(I)n1 ZINC000895819579 663528540 /nfs/dbraw/zinc/52/85/40/663528540.db2.gz BJISGVNNWYBDFB-AWEZNQCLSA-N 1 0 389.281 2.854 20 0 GFADRO Cn1cc(C(=O)NC2CC[NH+](CC3CCCCC3)CC2)c(Br)n1 ZINC000895958325 663535114 /nfs/dbraw/zinc/53/51/14/663535114.db2.gz NQEMSORPPRVZPB-UHFFFAOYSA-N 1 0 383.334 2.957 20 0 GFADRO O=C(NCc1csc(C(F)(F)F)c1)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000896039061 663538647 /nfs/dbraw/zinc/53/86/47/663538647.db2.gz APEKDKQLIXNYGW-STQMWFEESA-N 1 0 377.432 2.508 20 0 GFADRO C[C@H]([NH2+]Cc1ccn(-c2ccc(Br)cc2)n1)[C@H]1CCS(=O)(=O)C1 ZINC000896052762 663539141 /nfs/dbraw/zinc/53/91/41/663539141.db2.gz HTQHSAAPITUTEU-STQMWFEESA-N 1 0 398.326 2.548 20 0 GFADRO Cn1cc(-c2nc(-c3cccc(OCC[NH+](C)C)c3)no2)c(Br)n1 ZINC000896082442 663539986 /nfs/dbraw/zinc/53/99/86/663539986.db2.gz XKHTZOADQSHVOT-UHFFFAOYSA-N 1 0 392.257 2.840 20 0 GFADRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)c2cn(C)nc2Br)C1 ZINC000896351437 663552537 /nfs/dbraw/zinc/55/25/37/663552537.db2.gz MLYANFPWCPDXSJ-UONOGXRCSA-N 1 0 383.334 2.909 20 0 GFADRO Cc1cc(C(C)(C)C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCN2C)ccc1Br ZINC000896537762 663561975 /nfs/dbraw/zinc/56/19/75/663561975.db2.gz BJLSOKLJQPSFNS-RHSMWYFYSA-N 1 0 396.373 2.786 20 0 GFADRO CC(C)Oc1cc(Br)cc(C(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCN2C)c1 ZINC000896556386 663563461 /nfs/dbraw/zinc/56/34/61/663563461.db2.gz PEFBKGUXEMPAIN-SUMWQHHRSA-N 1 0 398.345 2.600 20 0 GFADRO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)N[C@@H]2CCOc3ccc(Br)cc32)C1 ZINC000896619008 663568390 /nfs/dbraw/zinc/56/83/90/663568390.db2.gz SKBBAFHKSQLPRW-GLQYFDAESA-N 1 0 380.286 2.618 20 0 GFADRO CC[N@H+](CCC(N)=O)Cc1cc(Br)c([C@@H](C)OCOC)cc1F ZINC000896707576 663573005 /nfs/dbraw/zinc/57/30/05/663573005.db2.gz VVOQEWGCFFWGBB-LLVKDONJSA-N 1 0 391.281 2.967 20 0 GFADRO NS(=O)(=O)C[C@H]1CC[N@H+](Cc2ccc(-c3cccc(Br)c3)o2)C1 ZINC000897057944 663588526 /nfs/dbraw/zinc/58/85/26/663588526.db2.gz KMBCWPWAZIXWLY-LBPRGKRZSA-N 1 0 399.310 2.820 20 0 GFADRO OCC[N@@H+]1CCC[C@H]2[C@@H]1CCN2c1ccc(Br)c(C(F)(F)F)n1 ZINC000897221331 663595580 /nfs/dbraw/zinc/59/55/80/663595580.db2.gz LMZRVLJORXHROD-RYUDHWBXSA-N 1 0 394.235 2.898 20 0 GFADRO COCc1csc(C[NH+]2CCC(c3ccc(S(N)(=O)=O)cc3)CC2)c1 ZINC000897572450 663611978 /nfs/dbraw/zinc/61/19/78/663611978.db2.gz YUWVKQZPVDSAFV-UHFFFAOYSA-N 1 0 380.535 2.922 20 0 GFADRO O=C(NCc1noc(-c2cccc(Br)c2)n1)[C@@]12CC[N@H+](C1)CCC2 ZINC000897609114 663613494 /nfs/dbraw/zinc/61/34/94/663613494.db2.gz BFJHPEMVOSZKGZ-KRWDZBQOSA-N 1 0 391.269 2.601 20 0 GFADRO O=C(NC1(Cc2ccccc2Br)CC1)C1C[NH+](C2CCOCC2)C1 ZINC000897831386 663621820 /nfs/dbraw/zinc/62/18/20/663621820.db2.gz KRDHJXOCLXQXLH-UHFFFAOYSA-N 1 0 393.325 2.751 20 0 GFADRO CC(C)(C)[NH+]1CCC(N[C@H]2Cc3cc(Br)cnc3NC2=O)CC1 ZINC000897977463 663627997 /nfs/dbraw/zinc/62/79/97/663627997.db2.gz HTUXAXBBMKKENN-AWEZNQCLSA-N 1 0 381.318 2.560 20 0 GFADRO Cn1nnnc1CCC[NH2+]Cc1csc(-c2cccc(Br)c2)n1 ZINC000898041776 663631012 /nfs/dbraw/zinc/63/10/12/663631012.db2.gz AOIOWDFAQHHSKT-UHFFFAOYSA-N 1 0 393.314 2.819 20 0 GFADRO Cn1cc([C@]2(C[NH2+]Cc3cnc4ccc(Br)cn34)CCCO2)cn1 ZINC000898059045 663631614 /nfs/dbraw/zinc/63/16/14/663631614.db2.gz WTYSDUORNSSYCN-QGZVFWFLSA-N 1 0 390.285 2.626 20 0 GFADRO COc1c(Br)cccc1C[NH2+]C[C@@]1(c2cnn(C)c2)CCCO1 ZINC000898056988 663631617 /nfs/dbraw/zinc/63/16/17/663631617.db2.gz RDQKMTGIUMNDAA-QGZVFWFLSA-N 1 0 380.286 2.987 20 0 GFADRO Cn1cc(CN2CC[C@@H](Cc3nccs3)C2)c(I)n1 ZINC000898067595 663632140 /nfs/dbraw/zinc/63/21/40/663632140.db2.gz FUJYMEUQUSUNTB-JTQLQIEISA-N 1 0 388.278 2.546 20 0 GFADRO O=C(NCc1cc(Cl)ccc1Br)C1C[NH+](C2CCOCC2)C1 ZINC000898076672 663632609 /nfs/dbraw/zinc/63/26/09/663632609.db2.gz SCUMFLHZWOISGZ-UHFFFAOYSA-N 1 0 387.705 2.830 20 0 GFADRO CN(CCCC[NH+]1CCCCC1)C(=O)C(=O)NCC[C@]1(C)C[C@]1(F)Cl ZINC000898102378 663633113 /nfs/dbraw/zinc/63/31/13/663633113.db2.gz QNEZYHGZRCPQAY-QZTJIDSGSA-N 1 0 375.916 2.532 20 0 GFADRO COC(=O)c1cc(C[NH2+][C@@](C)(CO)c2cccc(Br)c2)[nH]c1C ZINC000898168645 663636635 /nfs/dbraw/zinc/63/66/35/663636635.db2.gz LSLOQCFPWHCBCL-KRWDZBQOSA-N 1 0 381.270 2.870 20 0 GFADRO COC(=O)c1cc(C[NH2+][C@@](C)(CO)c2cccc(Br)c2)n(C)c1C ZINC000898168928 663636982 /nfs/dbraw/zinc/63/69/82/663636982.db2.gz ULFIYUJDXNUHRE-SFHVURJKSA-N 1 0 395.297 2.880 20 0 GFADRO O=c1ccn(CCC[NH2+]CC2=Cc3cc(Cl)cc(Cl)c3OC2)c(=O)[nH]1 ZINC000898333936 663644075 /nfs/dbraw/zinc/64/40/75/663644075.db2.gz ZOQNUZPZEHFBQD-UHFFFAOYSA-N 1 0 382.247 2.711 20 0 GFADRO O=c1[nH]ncc(N2CC[C@H]([NH2+]Cc3cnc(-c4ccco4)s3)C2)c1Cl ZINC000898368556 663645080 /nfs/dbraw/zinc/64/50/80/663645080.db2.gz NMEBVUMCAMWMEY-JTQLQIEISA-N 1 0 377.857 2.921 20 0 GFADRO CCCN(CC[NH+]1CCCCC1)C(=O)NCc1ncc(Br)cn1 ZINC000898386505 663646764 /nfs/dbraw/zinc/64/67/64/663646764.db2.gz GIDYPKAPVFNAMX-UHFFFAOYSA-N 1 0 384.322 2.647 20 0 GFADRO Cn1cc(C[N@@H+]2CCCC[C@@H]([C@@H]3CCOC3)C2)c(I)n1 ZINC000898511599 663653718 /nfs/dbraw/zinc/65/37/18/663653718.db2.gz CEGPJVGCACZVKC-CHWSQXEVSA-N 1 0 389.281 2.663 20 0 GFADRO OC[C@H](N[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccccc1I ZINC000898513057 663654184 /nfs/dbraw/zinc/65/41/84/663654184.db2.gz PKUZIONQSQKZRN-XEZPLFJOSA-N 1 0 386.277 2.541 20 0 GFADRO OCC[N@@H+]1CCC[C@H]2[C@@H]1CCN2C(=S)Nc1cccc(Br)c1 ZINC000899664208 663697714 /nfs/dbraw/zinc/69/77/14/663697714.db2.gz HYSKNTOVRNPXBY-GJZGRUSLSA-N 1 0 384.343 2.677 20 0 GFADRO CC(C)[NH+]1CCN(CCCC(=O)NCc2ccccc2Br)CC1 ZINC000900123120 663708668 /nfs/dbraw/zinc/70/86/68/663708668.db2.gz HUOCEGNZNHQIFY-UHFFFAOYSA-N 1 0 382.346 2.872 20 0 GFADRO CC1CC[NH+](CCCCNC(=O)c2cc3ncc(Br)cn3n2)CC1 ZINC000900216313 663709952 /nfs/dbraw/zinc/70/99/52/663709952.db2.gz LSYOAGMHLJNPNL-UHFFFAOYSA-N 1 0 394.317 2.734 20 0 GFADRO CC[NH+]1CCC(N(C)C(=O)COCCc2ccc(Br)cc2)CC1 ZINC000900517771 663716184 /nfs/dbraw/zinc/71/61/84/663716184.db2.gz MFFJWOLPQIVPSF-UHFFFAOYSA-N 1 0 383.330 2.951 20 0 GFADRO C[N@@H+]1CCC[C@](O)(CC(=O)N2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)C1 ZINC000900529531 663716461 /nfs/dbraw/zinc/71/64/61/663716461.db2.gz WMAFZDHOGGYZMR-WMZOPIPTSA-N 1 0 387.307 2.740 20 0 GFADRO C[C@H](c1ccc(Br)cc1)n1cc(CNC2CC[NH+](C)CC2)nn1 ZINC000900543086 663716625 /nfs/dbraw/zinc/71/66/25/663716625.db2.gz QVDPOUMHGTYAJN-CYBMUJFWSA-N 1 0 378.318 2.834 20 0 GFADRO C[N@@H+]1C[C@@H](O)C[C@]1(C)C(=O)NCc1cc(Cl)cc(Cl)c1OC(F)F ZINC000901017082 663728942 /nfs/dbraw/zinc/72/89/42/663728942.db2.gz KCRKLWHZUULYOD-ZUZCIYMTSA-N 1 0 383.222 2.666 20 0 GFADRO COC(=O)[C@@H](NC[C@H]1CC[N@@H+]1C1CCOCC1)c1ccccc1Br ZINC000901623938 663739969 /nfs/dbraw/zinc/73/99/69/663739969.db2.gz LRFQEMSEBIPKJH-PBHICJAKSA-N 1 0 397.313 2.506 20 0 GFADRO C[C@@H](NC(=O)[C@H](C)[NH2+][C@H]1CCc2ncc(Br)n2C1)c1ccccc1 ZINC000901727095 663743561 /nfs/dbraw/zinc/74/35/61/663743561.db2.gz CUGMDSZWIWPHJO-IPYPFGDCSA-N 1 0 391.313 2.816 20 0 GFADRO C[C@@H](NC(=O)[C@H](C)[NH2+][C@@H]1CCc2ncc(Br)n2C1)c1ccccc1 ZINC000901727138 663743659 /nfs/dbraw/zinc/74/36/59/663743659.db2.gz CUGMDSZWIWPHJO-VNHYZAJKSA-N 1 0 391.313 2.816 20 0 GFADRO C[C@@H]([NH2+][C@H]1CCc2ncc(Br)n2C1)C(=O)NCCC1=CCCCC1 ZINC000901730899 663744117 /nfs/dbraw/zinc/74/41/17/663744117.db2.gz YLHCPIQCVVLKME-HIFRSBDPSA-N 1 0 395.345 2.945 20 0 GFADRO OCC[N@@H+]1CCC[C@H]2[C@@H]1CCN2Cn1c(=S)snc1-c1ccccc1 ZINC000902645773 663765103 /nfs/dbraw/zinc/76/51/03/663765103.db2.gz YJMUBDHVJIWCNU-HOTGVXAUSA-N 1 0 376.551 2.830 20 0 GFADRO CC[NH+]1CCC(NC(=O)Cn2nc(-c3ccccc3Cl)nc2Cl)CC1 ZINC000902700771 663766424 /nfs/dbraw/zinc/76/64/24/663766424.db2.gz GQWRHYYWEBOPSY-UHFFFAOYSA-N 1 0 382.295 2.852 20 0 GFADRO CCCn1cc([C@H](C)[NH2+]CCCNC(=O)c2ccc(Br)cc2)nn1 ZINC000902786321 663767467 /nfs/dbraw/zinc/76/74/67/663767467.db2.gz MDOQWXOPIYVZCS-ZDUSSCGKSA-N 1 0 394.317 2.921 20 0 GFADRO Brc1ccc(N2CC[C@H](C[NH2+][C@@H]3CCO[C@]34CCOC4)C2)cc1 ZINC000903082294 663772670 /nfs/dbraw/zinc/77/26/70/663772670.db2.gz YEMKRUUIJZSDEV-OLMNPRSZSA-N 1 0 381.314 2.813 20 0 GFADRO CC(C)N1CC[C@@H]([NH2+][C@H](C)c2cccc(S(=O)(=O)C(F)(F)F)c2)C1=O ZINC000903121006 663774492 /nfs/dbraw/zinc/77/44/92/663774492.db2.gz RGSNBEVJJUWMGB-BXUZGUMPSA-N 1 0 378.416 2.640 20 0 GFADRO Brc1cccc(CN2CCC([NH2+][C@H]3CCO[C@]34CCOC4)CC2)c1 ZINC000903189982 663777735 /nfs/dbraw/zinc/77/77/35/663777735.db2.gz MHEDGOIDZMDBPK-OALUTQOASA-N 1 0 395.341 2.951 20 0 GFADRO C[C@H]([NH2+]CC[C@@]1(O)CCCOC1)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000903197003 663778073 /nfs/dbraw/zinc/77/80/73/663778073.db2.gz UKVUPCRDRKIRDX-WFASDCNBSA-N 1 0 381.416 2.562 20 0 GFADRO C[C@H]([NH2+]C[C@H]1CCCC[C@@H]1NS(C)(=O)=O)c1ccc(Br)nc1 ZINC000903232504 663779803 /nfs/dbraw/zinc/77/98/03/663779803.db2.gz AKCXFHGNDWUDRB-YUTCNCBUSA-N 1 0 390.347 2.603 20 0 GFADRO C[C@H]([NH2+][C@H]1Cc2cc(Br)cnc2NC1=O)c1cccc(CO)c1 ZINC000903322748 663781614 /nfs/dbraw/zinc/78/16/14/663781614.db2.gz BPXGEGOLWRKQHW-BONVTDFDSA-N 1 0 376.254 2.550 20 0 GFADRO C[C@H]([NH2+][C@H]1CCOC12CCOCC2)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000903386331 663783536 /nfs/dbraw/zinc/78/35/36/663783536.db2.gz AWZYIETYTJXUFX-WFASDCNBSA-N 1 0 375.437 2.672 20 0 GFADRO COc1cc([C@H](C)[NH2+][C@H]2COC[C@@H]2C2CC2)ccc1S(=O)(=O)C(F)F ZINC000903438907 663784881 /nfs/dbraw/zinc/78/48/81/663784881.db2.gz YTFHFKHDGNFNPX-GDLCADMTSA-N 1 0 375.437 2.767 20 0 GFADRO C[C@@H]([NH2+][C@@H]1CCc2ncc(Br)n2C1)c1ccc2c(c1)OCC(=O)N2 ZINC000903479526 663785371 /nfs/dbraw/zinc/78/53/71/663785371.db2.gz KSCGQQPMLDQSMR-ZYHUDNBSSA-N 1 0 391.269 2.642 20 0 GFADRO [NH3+][C@H]1CCCO[C@@H]1C1CCN(S(=O)(=O)c2cc3ccccc3s2)CC1 ZINC000903503832 663785875 /nfs/dbraw/zinc/78/58/75/663785875.db2.gz LNTSFODRMJWMMX-MAUKXSAKSA-N 1 0 380.535 2.808 20 0 GFADRO O=S(=O)(Cc1cccc(F)c1Br)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000903525294 663787346 /nfs/dbraw/zinc/78/73/46/663787346.db2.gz RTMBQXGEZWSSSU-LBPRGKRZSA-N 1 0 391.306 2.682 20 0 GFADRO C[C@H](C(=O)Nc1ccccc1Br)N1CC[C@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903536039 663787740 /nfs/dbraw/zinc/78/77/40/663787740.db2.gz ZQXYFNJMEDDCGY-JFGNBEQYSA-N 1 0 394.235 2.988 20 0 GFADRO CC(C)([NH3+])c1noc(CN2CCCC[C@H]2c2ncc(Br)cn2)n1 ZINC000903577286 663789789 /nfs/dbraw/zinc/78/97/89/663789789.db2.gz JIFARFGDXIWTCL-NSHDSACASA-N 1 0 381.278 2.543 20 0 GFADRO [NH3+][C@H]1CN(S(=O)(=O)c2ccccc2C(F)(F)F)CC[C@@H]1C(F)(F)F ZINC000903577008 663789806 /nfs/dbraw/zinc/78/98/06/663789806.db2.gz CHTJFGYIYDQPNW-WPRPVWTQSA-N 1 0 376.322 2.606 20 0 GFADRO Cc1cc(NC(=O)CN2CC[NH2+]CCC23CCOCC3)ccc1Br ZINC000903814072 663807502 /nfs/dbraw/zinc/80/75/02/663807502.db2.gz JWJFWVSKQQOYBH-UHFFFAOYSA-N 1 0 396.329 2.541 20 0 GFADRO O[C@H](COc1cc(Cl)ccc1Cl)CN1CC[NH2+]CCC12CCOCC2 ZINC000903819908 663807668 /nfs/dbraw/zinc/80/76/68/663807668.db2.gz PWIPBDZOBYOPND-HNNXBMFYSA-N 1 0 389.323 2.578 20 0 GFADRO OCCN(Cc1cnnn1[C@H]1CCC[NH2+]C1)Cc1ccc(Cl)c(Cl)c1 ZINC000903896346 663810352 /nfs/dbraw/zinc/81/03/52/663810352.db2.gz BMJGAWKQNYJICX-AWEZNQCLSA-N 1 0 384.311 2.504 20 0 GFADRO Cc1ccc2c(c1Br)CN(Cc1cnnn1[C@H]1CCC[NH2+]C1)C2 ZINC000903932973 663812567 /nfs/dbraw/zinc/81/25/67/663812567.db2.gz ITBRDGWWVMYPEL-AWEZNQCLSA-N 1 0 376.302 2.789 20 0 GFADRO CC(C)(C)[NH2+]CCC(=O)Nc1ccc(Br)cc1S(C)(=O)=O ZINC000904034032 663818800 /nfs/dbraw/zinc/81/88/00/663818800.db2.gz UOHZSKCEDJKVEE-UHFFFAOYSA-N 1 0 377.304 2.569 20 0 GFADRO O=C1O[C@H](c2nc([C@@H]3CCC[NH2+]C3)no2)Cc2ccc(Br)cc21 ZINC000904073289 663822523 /nfs/dbraw/zinc/82/25/23/663822523.db2.gz KUQDMEKYECTUQQ-MFKMUULPSA-N 1 0 378.226 2.753 20 0 GFADRO C[NH2+]CCCCc1nc(Cc2ccc(OC)c(OC)c2Br)no1 ZINC000904103203 663824543 /nfs/dbraw/zinc/82/45/43/663824543.db2.gz RHYHEAYALIXJQN-UHFFFAOYSA-N 1 0 384.274 2.982 20 0 GFADRO COC(=O)c1cc(Br)ccc1NC(=O)N1CC[C@@H]2CC[C@@]21C[NH3+] ZINC000904389077 663832009 /nfs/dbraw/zinc/83/20/09/663832009.db2.gz GRJMOYPSBVQLAN-MGPLVRAMSA-N 1 0 382.258 2.581 20 0 GFADRO Brc1cnc(CN2C[C@@H]3CC[NH2+]C[C@@H]3C2)c(Br)c1 ZINC000904420238 663833318 /nfs/dbraw/zinc/83/33/18/663833318.db2.gz IADOCHNNYUOUHV-VHSXEESVSA-N 1 0 375.108 2.648 20 0 GFADRO COCC[C@@H]1C[NH2+]CCN1C(=O)Nc1nnc(-c2cccc(Cl)c2)s1 ZINC000904421636 663833703 /nfs/dbraw/zinc/83/37/03/663833703.db2.gz MCJPQDRSDNQHRT-CYBMUJFWSA-N 1 0 381.889 2.701 20 0 GFADRO COC(=O)c1cccc(NC(=O)N2CC[C@H]3CC[C@]32C[NH3+])c1Br ZINC000904448572 663834776 /nfs/dbraw/zinc/83/47/76/663834776.db2.gz BOZUAQQFFNPNLM-HWPZZCPQSA-N 1 0 382.258 2.581 20 0 GFADRO [NH3+]C[C@H]1C[C@H](NC(=O)Nc2cc(Br)cc(C(=O)N3CCCC3)c2)C1 ZINC000904459797 663835116 /nfs/dbraw/zinc/83/51/16/663835116.db2.gz XDNSLALKRFKTPQ-YEORSEQZSA-N 1 0 395.301 2.544 20 0 GFADRO O=C(Nc1ccc(-c2ccc(Br)s2)nn1)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000904461381 663835318 /nfs/dbraw/zinc/83/53/18/663835318.db2.gz IOIJZSVBLKCDOW-WCABBAIRSA-N 1 0 394.298 2.982 20 0 GFADRO [NH3+]C[C@]12CC[C@H]1CCN2C(=O)Nc1ccc2nccnc2c1Br ZINC000904474338 663835667 /nfs/dbraw/zinc/83/56/67/663835667.db2.gz YIGSXGSXMJNZDM-MGPLVRAMSA-N 1 0 376.258 2.737 20 0 GFADRO Brc1cncc(-c2noc([C@@H]3CC[NH2+][C@H]([C@@H]4CCCO4)C3)n2)c1 ZINC000904536575 663836931 /nfs/dbraw/zinc/83/69/31/663836931.db2.gz FKAFAWCUBRSCMF-SWHYSGLUSA-N 1 0 379.258 2.909 20 0 GFADRO COCCOc1ccc(NC(=O)N[C@@H]2CCC[C@H]([NH3+])C2)cc1Br ZINC000904548130 663837295 /nfs/dbraw/zinc/83/72/95/663837295.db2.gz JOEFWABKSOLRBY-NWDGAFQWSA-N 1 0 386.290 2.866 20 0 GFADRO COCCOc1ccc(NC(=O)N2CC[C@H]3CC[C@@]32C[NH3+])cc1Br ZINC000904548419 663837311 /nfs/dbraw/zinc/83/73/11/663837311.db2.gz KIJCQHANWQJMNI-SJKOYZFVSA-N 1 0 398.301 2.819 20 0 GFADRO COCCOc1ccc(NC(=O)N2CC[C@H]([NH3+])[C@H](C)C2)cc1Br ZINC000904552316 663838186 /nfs/dbraw/zinc/83/81/86/663838186.db2.gz UCCNNIFXRBEDGZ-RISCZKNCSA-N 1 0 386.290 2.675 20 0 GFADRO [NH3+]Cc1ccccc1NC(=O)N(CCO)Cc1cc(Br)cs1 ZINC000904641083 663839301 /nfs/dbraw/zinc/83/93/01/663839301.db2.gz SYIZZBHAIYWQSC-UHFFFAOYSA-N 1 0 384.299 2.996 20 0 GFADRO [NH3+]CCN1CCC[C@@H](c2nc(CCc3c(Cl)cccc3Cl)no2)C1=O ZINC000904671733 663840090 /nfs/dbraw/zinc/84/00/90/663840090.db2.gz CPSORNKLCCXJIE-LBPRGKRZSA-N 1 0 383.279 2.826 20 0 GFADRO CC(C)C[C@@H]([NH3+])Cc1nc(CC(=O)Nc2ccccc2Br)no1 ZINC000904691639 663841163 /nfs/dbraw/zinc/84/11/63/663841163.db2.gz ZRDKTGLOUFCTGM-LLVKDONJSA-N 1 0 381.274 2.929 20 0 GFADRO C[NH+]1CCC(OCC(=O)Nc2ncc(C(F)(F)F)cc2Br)CC1 ZINC000905023406 663849721 /nfs/dbraw/zinc/84/97/21/663849721.db2.gz HTAFSTJFCVOXLJ-UHFFFAOYSA-N 1 0 396.207 2.912 20 0 GFADRO CNS(=O)(=O)c1cccc(C[NH2+]C[C@H](O)c2ccc(Cl)c(Cl)c2)c1 ZINC000905034543 663850297 /nfs/dbraw/zinc/85/02/97/663850297.db2.gz KOWGFTVADHYSMB-INIZCTEOSA-N 1 0 389.304 2.725 20 0 GFADRO O[C@H](C[NH2+]C[C@H]1CCN(c2cccc(Br)c2)C1)CC1(O)CCCC1 ZINC000905067100 663851291 /nfs/dbraw/zinc/85/12/91/663851291.db2.gz FJXKWOWBHNPPKK-QAPCUYQASA-N 1 0 397.357 2.921 20 0 GFADRO Cc1cc(Br)cn2cc(CC[NH2+]C[C@@H](O)CCC3(O)CCC3)nc12 ZINC000905207718 663858282 /nfs/dbraw/zinc/85/82/82/663858282.db2.gz IKBVDGDVLUFQAQ-INIZCTEOSA-N 1 0 396.329 2.593 20 0 GFADRO CCS(=O)(=O)N1CCC(C[NH2+]C[C@@H](O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000905212636 663858964 /nfs/dbraw/zinc/85/89/64/663858964.db2.gz LORWKZAGJORXIH-MRXNPFEDSA-N 1 0 395.352 2.678 20 0 GFADRO CCS(=O)(=O)c1ccc(C[NH2+]C[C@@](C)(O)C(F)(F)C(F)(F)F)s1 ZINC000905242341 663862196 /nfs/dbraw/zinc/86/21/96/663862196.db2.gz IJKKROORGFOOSY-SNVBAGLBSA-N 1 0 381.388 2.580 20 0 GFADRO CCOC(=O)C1CCC(O)(C[C@@H](O)C[NH2+]CC[C@]2(C)CC2(Cl)Cl)CC1 ZINC000905279803 663863592 /nfs/dbraw/zinc/86/35/92/663863592.db2.gz NDVOLYVFCCDZDU-OGOZQZCJSA-N 1 0 396.355 2.785 20 0 GFADRO O=c1c(-c2nc(C3C[C@H]4CC[C@@H](C3)[NH2+]4)no2)cc(Br)cn1C1CC1 ZINC000905311240 663865358 /nfs/dbraw/zinc/86/53/58/663865358.db2.gz UTTTVVWFNUOFPZ-CLYYMRHHSA-N 1 0 391.269 2.994 20 0 GFADRO COc1ccc(-c2csc(CNS(=O)(=O)CC3CC[NH2+]CC3)c2)cc1 ZINC000905336701 663866163 /nfs/dbraw/zinc/86/61/63/663866163.db2.gz AHRUACMULAVTSJ-UHFFFAOYSA-N 1 0 380.535 2.843 20 0 GFADRO O[C@H](CC[C@H](O)c1ccccc1)C[NH2+]C[C@@H](O)c1ccccc1Br ZINC000905368461 663867540 /nfs/dbraw/zinc/86/75/40/663867540.db2.gz RLJFYIJZCATUNI-AYOQOUSVSA-N 1 0 394.309 2.947 20 0 GFADRO CC(C)(C)OC(=O)N[C@H]1C[C@H](C[NH2+]C[C@@](C)(O)C(F)(F)C(F)(F)F)C1 ZINC000905407204 663869989 /nfs/dbraw/zinc/86/99/89/663869989.db2.gz AWISSLVYEJIAOC-GIPNMCIBSA-N 1 0 376.366 2.828 20 0 GFADRO C[C@](O)(C[NH2+]CC[C@H]1CCC2(CCOCC2)CO1)C(F)(F)C(F)(F)F ZINC000905472104 663872875 /nfs/dbraw/zinc/87/28/75/663872875.db2.gz CXQHDLYNBJZAHS-OLZOCXBDSA-N 1 0 375.378 2.891 20 0 GFADRO CS(=O)(=O)C1CCC(C[NH2+]C[C@@H](O)c2cccc(C(F)(F)F)c2)CC1 ZINC000905507797 663874741 /nfs/dbraw/zinc/87/47/41/663874741.db2.gz FBTYVZKHYBCBKD-VDSRIPIWSA-N 1 0 379.444 2.932 20 0 GFADRO CC(C)O[C@]1(C[NH2+]C[C@](C)(O)c2ccc(Br)cc2F)CCOC1 ZINC000905559441 663878237 /nfs/dbraw/zinc/87/82/37/663878237.db2.gz WKMJMDHKAOPTSJ-IRXDYDNUSA-N 1 0 390.293 2.969 20 0 GFADRO [NH3+]C1CCN(Cc2cn(Cc3cc(Cl)ccc3Br)nn2)CC1 ZINC000905807665 663893372 /nfs/dbraw/zinc/89/33/72/663893372.db2.gz PXWVBULNWHUQTR-UHFFFAOYSA-N 1 0 384.709 2.665 20 0 GFADRO CNC(=O)COc1cccc(C[NH2+]C[C@@H](O)c2ccc(Cl)c(Cl)c2)c1 ZINC000905915026 663900657 /nfs/dbraw/zinc/90/06/57/663900657.db2.gz KUBYMMWUNFKYNR-QGZVFWFLSA-N 1 0 383.275 2.941 20 0 GFADRO OCC1(C[C@H](O)C[NH2+]C[C@H](O)COc2cccc(Cl)c2Cl)CCCC1 ZINC000905918331 663900944 /nfs/dbraw/zinc/90/09/44/663900944.db2.gz GSSVATSNQIYIKB-KBPBESRZSA-N 1 0 392.323 2.626 20 0 GFADRO C[C@@H](CNC(=O)c1cc(Br)cn(C2CC2)c1=O)C[NH+]1CCCCC1 ZINC000906343714 663938912 /nfs/dbraw/zinc/93/89/12/663938912.db2.gz KVMZYRMUOBOFLR-ZDUSSCGKSA-N 1 0 396.329 2.798 20 0 GFADRO O=C(Nc1ccc2cc(Br)ccc2c1)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000906715822 663966785 /nfs/dbraw/zinc/96/67/85/663966785.db2.gz ASIQTXYNESWVFP-ARFHVFGLSA-N 1 0 388.265 2.550 20 0 GFADRO CO[C@H](C(=O)N(C)[C@H]1CC[N@H+](C)C[C@H]1C)c1ccc(Br)s1 ZINC000906790085 663971156 /nfs/dbraw/zinc/97/11/56/663971156.db2.gz HXLMOYRPENIMRR-SUNKGSAMSA-N 1 0 375.332 2.997 20 0 GFADRO C[C@@H]1C[C@@H](N(C)C(=O)C(F)(F)c2ncccc2Br)CC[N@@H+]1C ZINC000906790596 663971193 /nfs/dbraw/zinc/97/11/93/663971193.db2.gz KARCMSSXSZFOEA-MNOVXSKESA-N 1 0 376.245 2.877 20 0 GFADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc(Br)cn(C3CC3)c2=O)C1 ZINC000906845994 663976277 /nfs/dbraw/zinc/97/62/77/663976277.db2.gz MOWKHAQRVGKLHU-ZDUSSCGKSA-N 1 0 396.329 2.750 20 0 GFADRO Cc1cc(Br)c(CC(=O)N2CCC([N@H+](C)CCCO)CC2)s1 ZINC000907143909 664006467 /nfs/dbraw/zinc/00/64/67/664006467.db2.gz JVZKEEOPLXROEU-UHFFFAOYSA-N 1 0 389.359 2.667 20 0 GFADRO O=C(C[C@H](O)C(Cl)(Cl)Cl)Nc1ccccc1C[NH+]1CCC(O)CC1 ZINC000907161652 664007727 /nfs/dbraw/zinc/00/77/27/664007727.db2.gz LPPRGEVVYHXAPA-AWEZNQCLSA-N 1 0 395.714 2.703 20 0 GFADRO O=C(C[C@@H](O)C(Cl)(Cl)Cl)Nc1ccccc1C[NH+]1CCC(O)CC1 ZINC000907161653 664007865 /nfs/dbraw/zinc/00/78/65/664007865.db2.gz LPPRGEVVYHXAPA-CQSZACIVSA-N 1 0 395.714 2.703 20 0 GFADRO C[NH+](C)[C@@H](CC(=O)N[C@@H]1CCc2ncc(Br)n2C1)c1ccccc1 ZINC000907278577 664018304 /nfs/dbraw/zinc/01/83/04/664018304.db2.gz HEVQLLWQZPCGMN-CABCVRRESA-N 1 0 391.313 2.770 20 0 GFADRO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)S(=O)(=O)c3c(C)noc3C)C2)s1 ZINC000907346401 664026400 /nfs/dbraw/zinc/02/64/00/664026400.db2.gz LRUWRMFUIQKZEF-HNNXBMFYSA-N 1 0 383.539 2.804 20 0 GFADRO CCOC[C@@H](C)CS(=O)(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000907346438 664026538 /nfs/dbraw/zinc/02/65/38/664026538.db2.gz MJHFIZFNSWVJTI-WBVHZDCISA-N 1 0 388.599 2.813 20 0 GFADRO O=C(NCC1CC[NH+](C2CC2)CC1)c1cccn2ncc(Br)c12 ZINC000907783041 664061790 /nfs/dbraw/zinc/06/17/90/664061790.db2.gz GLDZUGLCXXITMJ-UHFFFAOYSA-N 1 0 377.286 2.701 20 0 GFADRO C[N@@H+]1CCC[C@](O)(CC(=O)Nc2cccc3cc(Br)cnc32)C1 ZINC000908126017 664085818 /nfs/dbraw/zinc/08/58/18/664085818.db2.gz VADRLNYMNWEENO-KRWDZBQOSA-N 1 0 378.270 2.783 20 0 GFADRO C[C@H](NC(=O)c1ccnn1CC[NH+](C)C)c1ccc(Br)cc1F ZINC000908181861 664090307 /nfs/dbraw/zinc/09/03/07/664090307.db2.gz PQNOCYQEQGRKEX-NSHDSACASA-N 1 0 383.265 2.837 20 0 GFADRO O=C(NCCCCC[NH+]1CCCC1)c1nscc1I ZINC000908426315 664105577 /nfs/dbraw/zinc/10/55/77/664105577.db2.gz HSZPKMZOVIUHKC-UHFFFAOYSA-N 1 0 393.294 2.744 20 0 GFADRO Cn1c(-c2ccc(F)cc2Br)nnc1N1C[C@H]2C[N@H+](C)C[C@@]2(C)C1 ZINC000908594558 664116092 /nfs/dbraw/zinc/11/60/92/664116092.db2.gz AMXMTCRKTUJCIK-DIFFPNOSSA-N 1 0 394.292 2.772 20 0 GFADRO CC[C@H]1C[N@H+](CC)CCN1C(=O)c1cc(Br)cn(C2CC2)c1=O ZINC000909212194 664148532 /nfs/dbraw/zinc/14/85/32/664148532.db2.gz JUBQTQBXMNJEOW-ZDUSSCGKSA-N 1 0 382.302 2.502 20 0 GFADRO CC(C)[NH+]1CCN(CCCC(=O)NCCc2cccc(Br)c2)CC1 ZINC000909855098 664180900 /nfs/dbraw/zinc/18/09/00/664180900.db2.gz BNHRYSJFEWBFFA-UHFFFAOYSA-N 1 0 396.373 2.914 20 0 GFADRO CC[N@@H+]1CCCN(C(=O)c2cc(Br)cc3[nH]c(=O)[nH]c32)[C@@H](C)C1 ZINC000910273664 664204093 /nfs/dbraw/zinc/20/40/93/664204093.db2.gz KDSTXDVWMUNJIF-JTQLQIEISA-N 1 0 381.274 2.587 20 0 GFADRO CN(CC[NH+](C)C)c1ccc(Br)cc1NC(=O)[C@H]1[C@@H]2C(=O)CC[C@H]12 ZINC000911313913 664243053 /nfs/dbraw/zinc/24/30/53/664243053.db2.gz YLINHQWUMLLMPH-AFAVFJNCSA-N 1 0 394.313 2.611 20 0 GFADRO C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)C(=O)NCC[C@@H]1C[NH2+]C[C@H]1C ZINC000911389493 664244578 /nfs/dbraw/zinc/24/45/78/664244578.db2.gz SQIWKNKUKKMZFA-FRRDWIJNSA-N 1 0 386.323 2.875 20 0 GFADRO CC(C)C[C@H](C[NH3+])NC(=O)c1cc(Br)cnc1Br ZINC000911818134 664256880 /nfs/dbraw/zinc/25/68/80/664256880.db2.gz HXYKFFJZDLDSJP-SECBINFHSA-N 1 0 379.096 2.710 20 0 GFADRO C[C@H]1CCCN(C(=O)c2cc(Br)c(Br)[nH]2)[C@@H]1C[NH3+] ZINC000911827976 664257578 /nfs/dbraw/zinc/25/75/78/664257578.db2.gz YNRVNQOYYMSJBD-OIBJUYFYSA-N 1 0 379.096 2.739 20 0 GFADRO C[C@@H]1CCCN(C(=O)c2ccc(Cn3cc(Br)cn3)s2)[C@@H]1C[NH3+] ZINC000911828242 664257814 /nfs/dbraw/zinc/25/78/14/664257814.db2.gz YYBLDPLRSMXDGY-BXUZGUMPSA-N 1 0 397.342 2.955 20 0 GFADRO CN(CC(C)(C)C[NH3+])C(=O)c1cnn(Cc2ccccc2)c1Br ZINC000911866998 664259965 /nfs/dbraw/zinc/25/99/65/664259965.db2.gz FUMRTWDSYDCLIE-UHFFFAOYSA-N 1 0 379.302 2.751 20 0 GFADRO [NH3+][C@@H](CC(=O)Nc1nnc(C(F)(F)F)s1)Cc1cc(F)c(F)cc1F ZINC000912237311 664276971 /nfs/dbraw/zinc/27/69/71/664276971.db2.gz YHILHMJVOJSDGN-ZCFIWIBFSA-N 1 0 384.305 2.873 20 0 GFADRO CC(C)[NH+]1CCN(CCC(=O)N2CCOc3ccc(Br)cc32)CC1 ZINC000912433633 664286556 /nfs/dbraw/zinc/28/65/56/664286556.db2.gz WIURISZLNRDGLC-UHFFFAOYSA-N 1 0 396.329 2.591 20 0 GFADRO O=C(CCCCC1CC[NH2+]CC1)NCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000912440947 664286921 /nfs/dbraw/zinc/28/69/21/664286921.db2.gz MROCZCFZDPGZBC-UHFFFAOYSA-N 1 0 386.945 2.790 20 0 GFADRO C[N@@H+]1CCC[C@](O)(CC(=O)N[C@@H]2CSCc3ccc(Br)cc32)C1 ZINC000912466077 664288969 /nfs/dbraw/zinc/28/89/69/664288969.db2.gz RVPQGYIUPDXDSF-WBVHZDCISA-N 1 0 399.354 2.700 20 0 GFADRO CC(C)C[NH2+]C1(CO)CCN(C(=O)CCc2ccc(Br)cc2)CC1 ZINC000912587977 664293879 /nfs/dbraw/zinc/29/38/79/664293879.db2.gz FBZGTVWGNHCHKB-UHFFFAOYSA-N 1 0 397.357 2.981 20 0 GFADRO CC[C@H](C(=O)N[C@@H](c1nccn1C)c1ccc(Br)cc1)[NH+](C)C ZINC000912677753 664296427 /nfs/dbraw/zinc/29/64/27/664296427.db2.gz YQHNIQUZIQOXEH-HUUCEWRRSA-N 1 0 379.302 2.728 20 0 GFADRO CC[NH+](CC)CC(=O)N[C@@H](c1nccn1C)c1ccc(Br)cc1 ZINC000912678495 664296730 /nfs/dbraw/zinc/29/67/30/664296730.db2.gz JBWHPOAPWJAULD-MRXNPFEDSA-N 1 0 379.302 2.730 20 0 GFADRO Cc1c(I)cccc1C(=O)N1CCC([NH+]2CCC2)CC1 ZINC000912877155 664307003 /nfs/dbraw/zinc/30/70/03/664307003.db2.gz UGLQFWMLAOEPHE-UHFFFAOYSA-N 1 0 384.261 2.910 20 0 GFADRO COc1cc(Br)c(C(=O)N2CCC([NH+]3CCC3)CC2)cc1OC ZINC000912871857 664307101 /nfs/dbraw/zinc/30/71/01/664307101.db2.gz FHVONOBEAJPZIT-UHFFFAOYSA-N 1 0 383.286 2.777 20 0 GFADRO COc1cc(C(=O)N2C[C@]3(C)C[N@H+](C)C[C@]3(C)C2)cc(OC)c1Br ZINC000913293353 664331299 /nfs/dbraw/zinc/33/12/99/664331299.db2.gz MVYNLUPBNPQYKH-HDICACEKSA-N 1 0 397.313 2.880 20 0 GFADRO C[NH+](C)C1(C)CCN(C(=O)c2ccc3cncc(Br)c3n2)CC1 ZINC000913386925 664334287 /nfs/dbraw/zinc/33/42/87/664334287.db2.gz KRDMDZPOMHQMIX-UHFFFAOYSA-N 1 0 377.286 2.949 20 0 GFADRO C[NH+](C)C1(C)CCN(C(=O)c2cnc3ncc(Br)cc3c2)CC1 ZINC000913393245 664334737 /nfs/dbraw/zinc/33/47/37/664334737.db2.gz MRLTXWNGNCRWRJ-UHFFFAOYSA-N 1 0 377.286 2.949 20 0 GFADRO C[NH+]1CCC(CNC(=O)C[C@@H](O)C(Cl)(Cl)Cl)(c2ccccc2)CC1 ZINC000913492310 664341316 /nfs/dbraw/zinc/34/13/16/664341316.db2.gz JBUYTGWDLNTUOJ-CQSZACIVSA-N 1 0 393.742 2.887 20 0 GFADRO Cc1ccc(-n2nc(Br)cc2C(=O)NC23CC[NH+](CC2)C3)cc1 ZINC000913631589 664347296 /nfs/dbraw/zinc/34/72/96/664347296.db2.gz SXXLYPMFRXVAFB-UHFFFAOYSA-N 1 0 375.270 2.521 20 0 GFADRO C[NH+](C)CC1(O)CCN(C(=O)c2cc(Cl)cc(F)c2Br)CC1 ZINC000913676702 664349002 /nfs/dbraw/zinc/34/90/02/664349002.db2.gz HKAUPDCITRSVSO-UHFFFAOYSA-N 1 0 393.684 2.770 20 0 GFADRO C[NH+](C)CC1(O)CCN(C(=O)CCSc2nc3ccccc3s2)CC1 ZINC000913682116 664349560 /nfs/dbraw/zinc/34/95/60/664349560.db2.gz OTKBFGJWUOYODK-UHFFFAOYSA-N 1 0 379.551 2.694 20 0 GFADRO O=C(c1cc[nH]c(=O)c1Br)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccccc1 ZINC000913685772 664349874 /nfs/dbraw/zinc/34/98/74/664349874.db2.gz DTDYXHBUQQFZTM-KBPBESRZSA-N 1 0 388.265 2.649 20 0 GFADRO O=C(Cc1cccnc1Br)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccccc1 ZINC000913686283 664349957 /nfs/dbraw/zinc/34/99/57/664349957.db2.gz UCCGMLQIUGVBJE-IRXDYDNUSA-N 1 0 386.293 2.872 20 0 GFADRO O=C(C[C@H](O)c1cc(Cl)cc(Cl)c1)N1CC[NH+](CCCCCO)CC1 ZINC000913692435 664350615 /nfs/dbraw/zinc/35/06/15/664350615.db2.gz LZWJWTQZWXRAPG-KRWDZBQOSA-N 1 0 389.323 2.724 20 0 GFADRO CC[NH+](CC)CCNC(=O)N1CCCC[C@H]1c1ncc(Br)cn1 ZINC000913831627 664360139 /nfs/dbraw/zinc/36/01/39/664360139.db2.gz TZOJGDIXZDKWEI-AWEZNQCLSA-N 1 0 384.322 2.818 20 0 GFADRO Cn1nc(C(F)(F)F)cc1CNC(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000913874105 664362886 /nfs/dbraw/zinc/36/28/86/664362886.db2.gz CNXAUGDWSJWQKT-LLVKDONJSA-N 1 0 375.420 2.603 20 0 GFADRO CN(Cc1ncc(Br)cn1)C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000913886169 664363723 /nfs/dbraw/zinc/36/37/23/664363723.db2.gz UFWHHBGKDSHWPZ-UHFFFAOYSA-N 1 0 384.322 2.645 20 0 GFADRO O=S(=O)(Cc1ccsc1Br)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000913933549 664366657 /nfs/dbraw/zinc/36/66/57/664366657.db2.gz KWNDJFCXEKREBR-NEPJUHHUSA-N 1 0 379.345 2.557 20 0 GFADRO C[C@@H]1CN(C[C@H]2CCCN2S(=O)(=O)c2cscc2C(F)F)C[C@H](C)O1 ZINC000913968499 664369288 /nfs/dbraw/zinc/36/92/88/664369288.db2.gz QELNKEWWQUUGSB-FRRDWIJNSA-N 1 0 394.509 2.948 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)NC1(c2ncc(Br)cn2)CCC1 ZINC000914219858 664387129 /nfs/dbraw/zinc/38/71/29/664387129.db2.gz CRXHBZQRFMEVQH-ZIAGYGMSSA-N 1 0 394.317 2.544 20 0 GFADRO C[C@@H](CNC(=O)N1CCC[C@H]1c1ncc(Br)cn1)[NH+]1CCCCC1 ZINC000914293270 664395898 /nfs/dbraw/zinc/39/58/98/664395898.db2.gz JLCBNEXHQACUSG-ZFWWWQNUSA-N 1 0 396.333 2.960 20 0 GFADRO CNC(=O)c1ccc(C[NH2+]C[C@@H](O)COc2ccc(Cl)c(Cl)c2)cc1 ZINC000914580849 664412444 /nfs/dbraw/zinc/41/24/44/664412444.db2.gz WZRBYLMGYDXEQH-CQSZACIVSA-N 1 0 383.275 2.883 20 0 GFADRO Cc1ccc([C@H](CNC(=O)NCc2cn(C)nc2Br)[NH+](C)C)cc1 ZINC000915073649 664420478 /nfs/dbraw/zinc/42/04/78/664420478.db2.gz XATOLCPDNOIICA-HNNXBMFYSA-N 1 0 394.317 2.593 20 0 GFADRO C[C@H](CNC(=O)N(C)Cc1ncc(Br)cn1)[NH+]1CCC(C)CC1 ZINC000915073718 664420510 /nfs/dbraw/zinc/42/05/10/664420510.db2.gz YBOVJILAHQDMJW-CYBMUJFWSA-N 1 0 384.322 2.501 20 0 GFADRO CC(C)[N@H+](C)CCCNC(=O)/C=C/c1ccc(I)o1 ZINC000915173785 664422696 /nfs/dbraw/zinc/42/26/96/664422696.db2.gz PWMXHWWDOAMHBA-SOFGYWHQSA-N 1 0 376.238 2.744 20 0 GFADRO C[C@H](CNC(=O)CN1C(=S)N=NC1c1cccs1)[N@@H+]1CCCC[C@H]1C ZINC000915298371 664427018 /nfs/dbraw/zinc/42/70/18/664427018.db2.gz LQKGXVDKTZRNLC-CHWSQXEVSA-N 1 0 379.555 2.674 20 0 GFADRO Cc1ccc(/C=C\C(=O)NCCCC[NH+]2CCOCC2)c(Br)c1 ZINC000915702900 664438184 /nfs/dbraw/zinc/43/81/84/664438184.db2.gz FERYQXYMDRQZIA-SREVYHEPSA-N 1 0 381.314 2.999 20 0 GFADRO CC[N@H+](CCNC(=O)N1CCC[C@@H]1c1ncc(Br)cn1)C(C)C ZINC000916165539 664452592 /nfs/dbraw/zinc/45/25/92/664452592.db2.gz UIXYRUXKZSYYNX-CQSZACIVSA-N 1 0 384.322 2.816 20 0 GFADRO O=C(Nc1cc2c(cc1Br)OCCO2)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000916638664 664467412 /nfs/dbraw/zinc/46/74/12/664467412.db2.gz JQBODEZGIOFWHC-TZMCWYRMSA-N 1 0 396.285 2.969 20 0 GFADRO Cc1c(C(=O)OCC[NH+]2CCCCC2)nnn1-c1cccc(Br)c1 ZINC000917538868 664485893 /nfs/dbraw/zinc/48/58/93/664485893.db2.gz XFGVYKWJSYCNFT-UHFFFAOYSA-N 1 0 393.285 2.981 20 0 GFADRO Cc1cc(Br)ccc1CNC(=O)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000917864942 664491178 /nfs/dbraw/zinc/49/11/78/664491178.db2.gz FHUXVMFZFMSCTJ-KRWDZBQOSA-N 1 0 396.329 2.810 20 0 GFADRO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCc2cnc(Br)cn2)C1 ZINC000917882546 664491808 /nfs/dbraw/zinc/49/18/08/664491808.db2.gz YJOPVNLUIWZKLL-ZDUSSCGKSA-N 1 0 398.349 2.939 20 0 GFADRO COCC[NH+]1CCC(NC(=S)Nc2ccc(OC(F)(F)F)cc2)CC1 ZINC000920756415 664530583 /nfs/dbraw/zinc/53/05/83/664530583.db2.gz DPTDDANUCUDOAH-UHFFFAOYSA-N 1 0 377.432 2.982 20 0 GFADRO CN(C)c1cc[nH+]c(CNS(=O)(=O)Cc2ccccc2Br)c1 ZINC000921025004 664535658 /nfs/dbraw/zinc/53/56/58/664535658.db2.gz KVNFOLJAHRQVKS-UHFFFAOYSA-N 1 0 384.299 2.530 20 0 GFADRO CC1([NH+]2CCC2)CCC(NS(=O)(=O)c2ccc3[nH]c(=O)sc3c2)CC1 ZINC000921720166 664564164 /nfs/dbraw/zinc/56/41/64/664564164.db2.gz ZJFNFAFIMXZUMF-UHFFFAOYSA-N 1 0 381.523 2.687 20 0 GFADRO FCCn1cc(C[NH2+]Cc2ccc(Br)cc2N2CCOCC2)cn1 ZINC000921861241 664573681 /nfs/dbraw/zinc/57/36/81/664573681.db2.gz GPXBLXOCJZSXPL-UHFFFAOYSA-N 1 0 397.292 2.742 20 0 GFADRO Cn1nc2c(c1C[NH2+]C[C@@H](CO)Cc1ccc(Br)cc1)CCC2 ZINC000922058235 664583183 /nfs/dbraw/zinc/58/31/83/664583183.db2.gz JYHGMYAKIKTWRZ-AWEZNQCLSA-N 1 0 378.314 2.612 20 0 GFADRO Cn1ccc(-c2nc(C[NH2+]CCCn3cc(Br)cn3)cs2)n1 ZINC000922131266 664587097 /nfs/dbraw/zinc/58/70/97/664587097.db2.gz LYNKMGOFCZFVJC-UHFFFAOYSA-N 1 0 381.303 2.683 20 0 GFADRO CN(Cc1ncc(Br)cn1)C(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC000922254759 664591991 /nfs/dbraw/zinc/59/19/91/664591991.db2.gz BMMOJUUFNPIGQW-ZDUSSCGKSA-N 1 0 384.322 2.501 20 0 GFADRO CCn1c(Br)c(Br)nc1C[NH2+]CC[C@@H](O)C(F)F ZINC000922303986 664594076 /nfs/dbraw/zinc/59/40/76/664594076.db2.gz HFVPNVSJCCLDJG-ZCFIWIBFSA-N 1 0 391.054 2.534 20 0 GFADRO Cn1nccc1[C@@H]1[C@@H]([NH2+]Cc2cccc(F)c2Br)CCC(=O)N1C ZINC000922405400 664600086 /nfs/dbraw/zinc/60/00/86/664600086.db2.gz JQPDVQKEUOAKPS-GUYCJALGSA-N 1 0 395.276 2.773 20 0 GFADRO CC(C)(C)NS(=O)(=O)C1(C[NH2+]Cc2ccc(Br)cn2)CCC1 ZINC000922471203 664603208 /nfs/dbraw/zinc/60/32/08/664603208.db2.gz AEQNKKWHNYTYCT-UHFFFAOYSA-N 1 0 390.347 2.574 20 0 GFADRO O=c1[nH]c(=O)n(CC(F)(F)F)cc1C[NH2+]Cc1ccc(C(F)(F)F)s1 ZINC000922494591 664603928 /nfs/dbraw/zinc/60/39/28/664603928.db2.gz GACCSLNWMDKRAT-UHFFFAOYSA-N 1 0 387.305 2.881 20 0 GFADRO CO[C@@]1(C[NH2+]C/C(C)=C\c2ccccc2C(F)(F)F)CCS(=O)(=O)C1 ZINC000922619643 664608678 /nfs/dbraw/zinc/60/86/78/664608678.db2.gz SGUONYFFYWTOHO-RCBBPTIPSA-N 1 0 377.428 2.902 20 0 GFADRO CS(=O)(=O)c1ccccc1CC[NH2+]Cc1cccc(O)c1Br ZINC000922681982 664610639 /nfs/dbraw/zinc/61/06/39/664610639.db2.gz WBRDCCDCPDBDIX-UHFFFAOYSA-N 1 0 384.295 2.891 20 0 GFADRO O=C1C[C@@H](CC[NH2+]Cc2cc(Br)cc(Br)c2)CN1 ZINC000922778673 664614228 /nfs/dbraw/zinc/61/42/28/664614228.db2.gz NLXDXRCUNFYLOE-SECBINFHSA-N 1 0 376.092 2.827 20 0 GFADRO C[N@@H+]1CCCC[C@@H]1CCOC(=O)CCNC(=O)c1ccc(Br)cc1 ZINC000922801574 664614846 /nfs/dbraw/zinc/61/48/46/664614846.db2.gz YLYAAWKSHIECCS-MRXNPFEDSA-N 1 0 397.313 2.987 20 0 GFADRO Fc1cccc(C[NH2+]CC2CC3(C2)OCCO3)c1I ZINC000922802007 664614916 /nfs/dbraw/zinc/61/49/16/664614916.db2.gz INPSSLJPOWCHSH-UHFFFAOYSA-N 1 0 377.197 2.673 20 0 GFADRO COC(=O)c1cnc(CC[NH2+]Cc2cc3c(C)nn(C)c3nc2Cl)s1 ZINC000922834310 664616190 /nfs/dbraw/zinc/61/61/90/664616190.db2.gz KBPXFEZAWDFBSX-UHFFFAOYSA-N 1 0 379.873 2.506 20 0 GFADRO O=C(Cc1cc(F)ccc1Br)N1CCC([NH2+]C2CCOCC2)CC1 ZINC000922875542 664617258 /nfs/dbraw/zinc/61/72/58/664617258.db2.gz VUFLUZNZVHYUNW-UHFFFAOYSA-N 1 0 399.304 2.890 20 0 GFADRO O=C(Cc1sccc1Br)N1CCC([NH2+]C2CCOCC2)CC1 ZINC000922884909 664617426 /nfs/dbraw/zinc/61/74/26/664617426.db2.gz HCODFISMAFCBKU-UHFFFAOYSA-N 1 0 387.343 2.813 20 0 GFADRO Cc1nc(Br)sc1C(=O)N1CCC([NH2+]C2CCOCC2)CC1 ZINC000922882446 664617490 /nfs/dbraw/zinc/61/74/90/664617490.db2.gz ROKFEKYPDHRKCX-UHFFFAOYSA-N 1 0 388.331 2.587 20 0 GFADRO Ic1ccccc1CNC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000922952068 664619829 /nfs/dbraw/zinc/61/98/29/664619829.db2.gz VDOSFWTYGPGJLF-HNNXBMFYSA-N 1 0 386.277 2.634 20 0 GFADRO CCOc1cc(C[NH2+][C@@H]2CCc3nnn(C)c3C2)cc(Br)c1OC ZINC000922998459 664620641 /nfs/dbraw/zinc/62/06/41/664620641.db2.gz KJBHLPDGQVSEJX-GFCCVEGCSA-N 1 0 395.301 2.632 20 0 GFADRO O[C@H]1C[C@H]([NH2+]Cc2nc(-c3cccc(Br)c3)c[nH]2)C12CCOCC2 ZINC000923018246 664621186 /nfs/dbraw/zinc/62/11/86/664621186.db2.gz DGTZIUWKSKQMIM-HOTGVXAUSA-N 1 0 392.297 2.859 20 0 GFADRO O[C@H]1C[C@H]([NH2+]Cc2cnn(-c3ccc(Br)cc3)c2)C12CCOCC2 ZINC000923024290 664621543 /nfs/dbraw/zinc/62/15/43/664621543.db2.gz OZSHIIWDUNHMFC-IRXDYDNUSA-N 1 0 392.297 2.654 20 0 GFADRO CCN(CC)Cc1ccc(C(=O)NCC(=O)c2ccc(Br)cn2)o1 ZINC000923253018 664626429 /nfs/dbraw/zinc/62/64/29/664626429.db2.gz SGFLLDVSHFEASI-UHFFFAOYSA-N 1 0 394.269 2.892 20 0 GFADRO C[C@@H](C(=O)Nc1ccccc1Br)N1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923451744 664630799 /nfs/dbraw/zinc/63/07/99/664630799.db2.gz CLXVYRBWWAWMAO-KBPBESRZSA-N 1 0 396.329 2.606 20 0 GFADRO O=S(=O)(c1cnc(-c2ccccc2)s1)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000923643221 664634986 /nfs/dbraw/zinc/63/49/86/664634986.db2.gz CSFQGGFCDHQTSK-HZPDHXFCSA-N 1 0 377.535 2.963 20 0 GFADRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2cscc2C(F)F)CC[C@H]1C(F)(F)F ZINC000923660975 664635236 /nfs/dbraw/zinc/63/52/36/664635236.db2.gz HCPZXGQEUAEBMF-VXNVDRBHSA-N 1 0 378.388 2.834 20 0 GFADRO [NH3+]C[C@@H]1CC2(CO1)CCN(S(=O)(=O)c1cccc(Cl)c1Cl)CC2 ZINC000923687439 664635839 /nfs/dbraw/zinc/63/58/39/664635839.db2.gz XSKGBLPJYRCUMK-NSHDSACASA-N 1 0 379.309 2.512 20 0 GFADRO Cc1ccc(Br)c(CS(=O)(=O)N2CC[C@@H](C[NH3+])[C@@H](C)C2)c1 ZINC000923698360 664636239 /nfs/dbraw/zinc/63/62/39/664636239.db2.gz CFVSKTIOHLKGFR-STQMWFEESA-N 1 0 375.332 2.504 20 0 GFADRO [NH3+]CC[C@@H]1CCN(S(=O)(=O)c2ccc3ccccc3c2Br)C1 ZINC000923699921 664636391 /nfs/dbraw/zinc/63/63/91/664636391.db2.gz QIOUZKYVBWNXRL-GFCCVEGCSA-N 1 0 383.311 2.962 20 0 GFADRO O=S(=O)(c1ccc(Cl)nc1F)N1CCC([C@@H]2CCC[NH2+]CC2)CC1 ZINC000923704629 664636578 /nfs/dbraw/zinc/63/65/78/664636578.db2.gz YXFGJSILQBYCFS-GFCCVEGCSA-N 1 0 375.897 2.665 20 0 GFADRO C[NH+]1CCC(OCC(=O)OCc2ccc(Br)c(F)c2F)CC1 ZINC000923785992 664637801 /nfs/dbraw/zinc/63/78/01/664637801.db2.gz OXZNZTYRQDONMX-UHFFFAOYSA-N 1 0 378.213 2.881 20 0 GFADRO COC(=O)[C@H](OC(=O)COC1CC[NH+](C)CC1)c1cc(Cl)cc(Cl)c1 ZINC000923790534 664637953 /nfs/dbraw/zinc/63/79/53/664637953.db2.gz YBBNLQMBWFACJZ-MRXNPFEDSA-N 1 0 390.263 2.862 20 0 GFADRO C[NH+]1CCC(OCc2nc(-c3cccc(I)c3)no2)CC1 ZINC000923809422 664638256 /nfs/dbraw/zinc/63/82/56/664638256.db2.gz WEJRXPGQWCJFQJ-UHFFFAOYSA-N 1 0 399.232 2.952 20 0 GFADRO Brc1cnc2[nH]cc(-c3noc([C@@H]4C[N@@H+]5CCC[C@H]5CO4)n3)c2c1 ZINC000924098912 664647108 /nfs/dbraw/zinc/64/71/08/664647108.db2.gz ZTTSYPZXNSXVDR-GWCFXTLKSA-N 1 0 390.241 2.911 20 0 GFADRO C[C@@H]([NH2+]Cc1ccc(F)cc1C(F)(F)F)C1CCN(S(C)(=O)=O)CC1 ZINC000924667083 664659365 /nfs/dbraw/zinc/65/93/65/664659365.db2.gz INMVMIUOTGSHQJ-LLVKDONJSA-N 1 0 382.423 2.994 20 0 GFADRO C[C@@H]([NH2+]CCc1ccc(Br)s1)C1CCN(S(C)(=O)=O)CC1 ZINC000924787364 664661760 /nfs/dbraw/zinc/66/17/60/664661760.db2.gz XMNZQCRXLGZCLR-LLVKDONJSA-N 1 0 395.388 2.703 20 0 GFADRO Brc1cc(C[NH2+][C@@H]2CCOC23CCOCC3)cc2c1OCCO2 ZINC000924840852 664662620 /nfs/dbraw/zinc/66/26/20/664662620.db2.gz CNDOORPISAFPNB-OAHLLOKOSA-N 1 0 384.270 2.648 20 0 GFADRO CCN(CC)S(=O)(=O)c1ccc(CC[NH2+][C@@H]2CCOC[C@H]2C(C)C)s1 ZINC000924948127 664664308 /nfs/dbraw/zinc/66/43/08/664664308.db2.gz UTCNIUSWXJRTOF-DLBZAZTESA-N 1 0 388.599 2.972 20 0 GFADRO Cc1ccc([C@@H](NC[C@@H](O)C[NH+](C)C)c2cncc(Br)c2)cc1 ZINC000924995465 664664832 /nfs/dbraw/zinc/66/48/32/664664832.db2.gz WBVFPUVBJYPHKM-QZTJIDSGSA-N 1 0 378.314 2.754 20 0 GFADRO COc1ccc(Br)c(C(=O)NCCC[NH2+][C@H](C)c2nonc2C)c1 ZINC000925014579 664665192 /nfs/dbraw/zinc/66/51/92/664665192.db2.gz HDEPRIOTRLUJFR-SNVBAGLBSA-N 1 0 397.273 2.620 20 0 GFADRO CC[C@@H]1COC[C@@H]1[NH2+]CCCNC(=O)c1cc(OC)ccc1Br ZINC000925018127 664665288 /nfs/dbraw/zinc/66/52/88/664665288.db2.gz XCLZHVXAAHQIDE-WBMJQRKESA-N 1 0 385.302 2.592 20 0 GFADRO CC(=O)Nc1ccc(Cl)c(NC(=O)N[C@H]2CCC[N@@H+]3CCSC[C@H]23)c1 ZINC000925146025 664667416 /nfs/dbraw/zinc/66/74/16/664667416.db2.gz CLVGEWGZXOBRBS-GOEBONIOSA-N 1 0 382.917 3.000 20 0 GFADRO O=C(N[C@@H]1CCO[C@@H](c2cccs2)C1)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000925171788 664667859 /nfs/dbraw/zinc/66/78/59/664667859.db2.gz LZYAKZCQKIXKTB-FXUDXRNXSA-N 1 0 381.567 2.847 20 0 GFADRO CN(C(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12)[C@@H](CO)c1ccc(Cl)cc1 ZINC000925175371 664668054 /nfs/dbraw/zinc/66/80/54/664668054.db2.gz VJXRLORVQLVRNU-IXDOHACOSA-N 1 0 383.945 2.595 20 0 GFADRO C[C@@H]([NH2+]C1CCN(Cc2ccc(Br)cc2)CC1)c1cnnn1C ZINC000925278643 664669655 /nfs/dbraw/zinc/66/96/55/664669655.db2.gz YTVNCFZMKCUING-CYBMUJFWSA-N 1 0 378.318 2.893 20 0 GFADRO CN1CCO[C@@H](C[NH2+][C@H](c2ccc(Br)cc2)c2cccnc2)C1 ZINC000925355436 664670947 /nfs/dbraw/zinc/67/09/47/664670947.db2.gz UOWJGMXYAUBUNF-ZWKOTPCHSA-N 1 0 376.298 2.854 20 0 GFADRO C[N@@H+]1CC[C@@H]1CNC(=O)N1CCC(Nc2cccc(Br)c2)CC1 ZINC000925418799 664672183 /nfs/dbraw/zinc/67/21/83/664672183.db2.gz WRPBZQLGGUUGSS-MRXNPFEDSA-N 1 0 381.318 2.739 20 0 GFADRO Cn1cc(CN[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c(Br)n1 ZINC000925806467 664675070 /nfs/dbraw/zinc/67/50/70/664675070.db2.gz QFDUWUDIPQQFDE-PBHICJAKSA-N 1 0 377.286 2.528 20 0 GFADRO C[C@@H](NC1CC[NH+](CCO)CC1)C(F)(F)c1ccc(Br)cc1 ZINC000925832504 664675352 /nfs/dbraw/zinc/67/53/52/664675352.db2.gz RMAVFWIHNMAKKL-GFCCVEGCSA-N 1 0 377.273 2.976 20 0 GFADRO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(C(=O)Nc1ccc(Br)cc1C)C2 ZINC000925908392 664677300 /nfs/dbraw/zinc/67/73/00/664677300.db2.gz LOLCGNJHLMFSKN-PPHDSNJXSA-N 1 0 396.285 2.502 20 0 GFADRO C[C@@H]1CN(C(=O)Nc2cc3c(cc2Br)OCCO3)CC[C@H]1C[NH3+] ZINC000925909431 664677303 /nfs/dbraw/zinc/67/73/03/664677303.db2.gz IGNDAXSAXAMMRA-MNOVXSKESA-N 1 0 384.274 2.669 20 0 GFADRO [NH3+]C[C@@H]1CC2(CO1)CCN(C(=O)Nc1ccc(F)cc1Br)CC2 ZINC000925954515 664678067 /nfs/dbraw/zinc/67/80/67/664678067.db2.gz XNXPEFVIGJVBMJ-LBPRGKRZSA-N 1 0 386.265 2.950 20 0 GFADRO CCOC(=O)c1sc(NC(=O)N2CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C2)cc1C ZINC000925992821 664678761 /nfs/dbraw/zinc/67/87/61/664678761.db2.gz KCGHBJGWPHRNAQ-ZJUUUORDSA-N 1 0 379.404 2.977 20 0 GFADRO [NH3+]C[C@H]1CC2(CO1)CCN(C(=O)Nc1cc(F)ccc1Br)CC2 ZINC000926062335 664680474 /nfs/dbraw/zinc/68/04/74/664680474.db2.gz XTEGGQAFKQQHKP-GFCCVEGCSA-N 1 0 386.265 2.950 20 0 GFADRO COC(=O)c1cc(Cl)ccc1NC(=O)N1CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000926079152 664681090 /nfs/dbraw/zinc/68/10/90/664681090.db2.gz OEWNCFRHIDMBPP-MNOVXSKESA-N 1 0 379.766 2.870 20 0 GFADRO [NH3+][C@@H]1CC[C@H](CNC(=O)Nc2cccc(F)c2I)C1 ZINC000926080399 664681140 /nfs/dbraw/zinc/68/11/40/664681140.db2.gz WFWLGPSCDIYIQC-DTWKUNHWSA-N 1 0 377.201 2.679 20 0 GFADRO CCOC(=O)c1c(NC(=O)NC[C@@H]2CC[C@H]([NH3+])C2)sc2c1CCSC2 ZINC000926079536 664681159 /nfs/dbraw/zinc/68/11/59/664681159.db2.gz SZRJZTBZHDGHEX-MNOVXSKESA-N 1 0 383.539 2.963 20 0 GFADRO COC(=O)c1cc(Br)ccc1NC(=O)N1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000926078823 664681176 /nfs/dbraw/zinc/68/11/76/664681176.db2.gz FBIDBFVMFIZWEV-QWRGUYRKSA-N 1 0 384.274 2.684 20 0 GFADRO COC(=O)c1cccc(NC(=O)N2CC[C@H](C[NH3+])[C@@H](C)C2)c1Br ZINC000926104160 664681837 /nfs/dbraw/zinc/68/18/37/664681837.db2.gz FBSFZNNKPQFSTR-WDEREUQCSA-N 1 0 384.274 2.684 20 0 GFADRO C[C@H]1CN(C(=O)Nc2ccc3nccnc3c2Br)CC[C@@H]1C[NH3+] ZINC000926118170 664682247 /nfs/dbraw/zinc/68/22/47/664682247.db2.gz ZCELKSCTOBWSSF-WDEREUQCSA-N 1 0 378.274 2.841 20 0 GFADRO [NH3+][C@H]1CN(C(=O)Nc2nc(CC(F)(F)F)cs2)CC[C@H]1C(F)(F)F ZINC000926133065 664682493 /nfs/dbraw/zinc/68/24/93/664682493.db2.gz WDFUKTGKKSBWFQ-SFYZADRCSA-N 1 0 376.326 2.991 20 0 GFADRO CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)c1cc(Cl)c(N)c(Cl)c1)C2 ZINC000926138987 664682791 /nfs/dbraw/zinc/68/27/91/664682791.db2.gz XEFXPYWASDWYOI-SZXPJGKVSA-N 1 0 386.323 2.785 20 0 GFADRO CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NC(=O)c1cccc(Br)c1F)C2 ZINC000926152221 664683122 /nfs/dbraw/zinc/68/31/22/664683122.db2.gz GFCZVNZCSUMLFB-GZOSKZMVSA-N 1 0 399.304 2.798 20 0 GFADRO Cc1ccc(C(=O)N[C@@H]2C[C@@]3(C[N@@H+](C)[C@@H]3C(C)C)C[C@H]2O)cc1Br ZINC000926166161 664683404 /nfs/dbraw/zinc/68/34/04/664683404.db2.gz HVGGNLZDVOKLTN-MTNOOBJLSA-N 1 0 395.341 2.967 20 0 GFADRO Cc1cc(Br)cc(C(=O)N[C@@H]2C[C@]3(C[N@@H+](C)[C@H]3C(C)C)C[C@H]2O)c1 ZINC000926157634 664683412 /nfs/dbraw/zinc/68/34/12/664683412.db2.gz CSHGLKJHGFNIMK-VXIBKDFQSA-N 1 0 395.341 2.967 20 0 GFADRO Cc1c(Br)cccc1C(=O)N[C@@H]1C[C@@]2(C[N@@H+](C)[C@H]2C(C)C)C[C@H]1O ZINC000926169358 664683626 /nfs/dbraw/zinc/68/36/26/664683626.db2.gz DAVSMQYBQLHANF-VXNCWWDNSA-N 1 0 395.341 2.967 20 0 GFADRO CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)Cc1ccc(Br)cc1)C2 ZINC000926187270 664684453 /nfs/dbraw/zinc/68/44/53/664684453.db2.gz BENFPCYIDZQPMP-FPAYPSAMSA-N 1 0 395.341 2.588 20 0 GFADRO CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)c1ccc(Br)cc1F)C2 ZINC000926189346 664684513 /nfs/dbraw/zinc/68/45/13/664684513.db2.gz YVBXAEOXJTZNKN-KONPQCLYSA-N 1 0 399.304 2.798 20 0 GFADRO CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NC(=O)c1ccc(F)cc1Br)C2 ZINC000926187301 664684536 /nfs/dbraw/zinc/68/45/36/664684536.db2.gz DDCNGNWLXYUCDV-XLMAVXFVSA-N 1 0 399.304 2.798 20 0 GFADRO Cc1ccc(C[C@H](CO)C[NH2+][C@H](C)C[C@@H]2CCC(=O)N2)cc1Br ZINC000926540395 664691916 /nfs/dbraw/zinc/69/19/16/664691916.db2.gz ZPQVQAIWACPRDJ-KBMXLJTQSA-N 1 0 383.330 2.555 20 0 GFADRO C[C@H]([NH2+]C[C@@H](CO)Cc1ccc(F)c(Br)c1)c1cc(CO)on1 ZINC000926545495 664692327 /nfs/dbraw/zinc/69/23/27/664692327.db2.gz WJWZHFSGUPZZDE-JQWIXIFHSA-N 1 0 387.249 2.570 20 0 GFADRO Cc1c(Br)cccc1C[C@@H](CO)C[NH2+][C@@H](C)c1cc(CO)on1 ZINC000926544627 664692339 /nfs/dbraw/zinc/69/23/39/664692339.db2.gz QIZJQOLFRUPAOW-QWHCGFSZSA-N 1 0 383.286 2.740 20 0 GFADRO O[C@@H]1CCN(CC[NH2+][C@@H](c2ccc(Br)cc2)c2cccnc2)C1 ZINC000926768625 664696308 /nfs/dbraw/zinc/69/63/08/664696308.db2.gz UJEITZQACLWROE-MSOLQXFVSA-N 1 0 376.298 2.590 20 0 GFADRO C[C@@H](NCc1c(I)cnn1C)c1cccc(C[NH+](C)C)c1 ZINC000926814811 664696907 /nfs/dbraw/zinc/69/69/07/664696907.db2.gz XOWXVGDMWOXSHE-GFCCVEGCSA-N 1 0 398.292 2.937 20 0 GFADRO CCO[C@@H](CNC(=O)N(C)Cc1csc(Br)c1)C[NH+](C)C ZINC000926835520 664697618 /nfs/dbraw/zinc/69/76/18/664697618.db2.gz WFPUNWKJDWCLAT-LBPRGKRZSA-N 1 0 378.336 2.619 20 0 GFADRO O=C1NCC2(CCOCC2)[C@H]1[NH2+]CCc1cc(Cl)cc(Br)c1 ZINC000926847376 664697760 /nfs/dbraw/zinc/69/77/60/664697760.db2.gz TTXHVWVZVYGFKG-AWEZNQCLSA-N 1 0 387.705 2.530 20 0 GFADRO C[C@@H]([NH2+]CC1(S(=O)(=O)NC(C)(C)C)CC1)c1cccc(Br)n1 ZINC000926851097 664697791 /nfs/dbraw/zinc/69/77/91/664697791.db2.gz QERINELILKUMLX-LLVKDONJSA-N 1 0 390.347 2.745 20 0 GFADRO CCO[C@@H](CNC(=O)N[C@H](CCO)c1ccc(Cl)c(Cl)c1)C[NH+](C)C ZINC000926843743 664697828 /nfs/dbraw/zinc/69/78/28/664697828.db2.gz JFZBOFQPVHRLRX-XJKSGUPXSA-N 1 0 392.327 2.683 20 0 GFADRO C[C@@H]([NH2+]C[C@H]1CCCN1CC(F)(F)F)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000926927723 664699258 /nfs/dbraw/zinc/69/92/58/664699258.db2.gz WUMHOIHICGFSEO-DGCLKSJQSA-N 1 0 382.423 2.907 20 0 GFADRO C[C@@H]([NH2+]CCc1nc2c(s1)CCC2)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000926939371 664699266 /nfs/dbraw/zinc/69/92/66/664699266.db2.gz SJCZPFQFAUNQQG-CYBMUJFWSA-N 1 0 379.551 2.775 20 0 GFADRO Brc1ccc([C@H]([NH2+]C[C@@H]2C[C@@H]3COC[C@@H]3O2)c2cncnc2)cc1 ZINC000926948187 664699364 /nfs/dbraw/zinc/69/93/64/664699364.db2.gz MQEBUCRRWSRTKN-QCSYZSNVSA-N 1 0 390.281 2.722 20 0 GFADRO C[C@H](CCc1ccc(I)cc1)[NH2+]CC[C@@H]1CNC(=O)C1 ZINC000926977730 664700775 /nfs/dbraw/zinc/70/07/75/664700775.db2.gz FQPPKRKVUVYDDM-OCCSQVGLSA-N 1 0 386.277 2.728 20 0 GFADRO Cc1c([C@H](C)[NH2+]CC[C@H]2CNC(=O)C2)nnn1-c1cccc(Br)c1 ZINC000926990134 664701783 /nfs/dbraw/zinc/70/17/83/664701783.db2.gz ZVNPDEZGGUHKBN-WCQYABFASA-N 1 0 392.301 2.515 20 0 GFADRO CC[C@@H]([NH2+]C[C@@H](O)CS(C)(=O)=O)c1ccc(Br)cc1Cl ZINC000927028725 664702678 /nfs/dbraw/zinc/70/26/78/664702678.db2.gz YFPPIKWLQBTKML-ZWNOBZJWSA-N 1 0 384.723 2.549 20 0 GFADRO Cn1nccc1[C@@H](O)C[NH2+][C@H](c1cccc(Br)c1)C1CCOCC1 ZINC000927126164 664704962 /nfs/dbraw/zinc/70/49/62/664704962.db2.gz DGLJHQQSSFSBFE-ROUUACIJSA-N 1 0 394.313 2.974 20 0 GFADRO O=C(NC[C@H]1CC[N@@H+]1C1CCOCC1)Nc1nnc(-c2ccsc2)s1 ZINC000927643427 664713372 /nfs/dbraw/zinc/71/33/72/664713372.db2.gz WGOFDSRVYVMPER-CYBMUJFWSA-N 1 0 379.511 2.641 20 0 GFADRO C[C@@H]1C[NH2+]C[C@H]1CNC(=O)C(=O)Nc1ccc(Br)c2ccccc12 ZINC000927815421 664716298 /nfs/dbraw/zinc/71/62/98/664716298.db2.gz OYZSEBYFLHFFDX-NEPJUHHUSA-N 1 0 390.281 2.513 20 0 GFADRO C[C@H]1CN(C(=O)C(=O)Nc2cc(Cl)ccc2C(F)(F)F)CC[C@H]1C[NH3+] ZINC000927890327 664717391 /nfs/dbraw/zinc/71/73/91/664717391.db2.gz HEKUNJUETLLKOL-UWVGGRQHSA-N 1 0 377.794 2.741 20 0 GFADRO O=C(N[C@H]1CCC[N@@H+]2CCSC[C@H]12)C1=C(c2ccccc2)SCCO1 ZINC000928081345 664722094 /nfs/dbraw/zinc/72/20/94/664722094.db2.gz SCCWVAUTUONGDY-JKSUJKDBSA-N 1 0 376.547 2.815 20 0 GFADRO O=C(Cc1cc(C(F)(F)F)cc(Cl)n1)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000928088718 664722510 /nfs/dbraw/zinc/72/25/10/664722510.db2.gz IOUUCPROXWODQI-OLZOCXBDSA-N 1 0 393.862 2.992 20 0 GFADRO O=C(COCc1nc2ccccc2s1)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000928095043 664722723 /nfs/dbraw/zinc/72/27/23/664722723.db2.gz JEECRMJFNSJXAE-ZFWWWQNUSA-N 1 0 377.535 2.509 20 0 GFADRO C[C@H]1[C@@H](NC(=O)c2ccc(Cn3cc(Br)cn3)s2)CC[N@@H+]1C ZINC000928425593 664732397 /nfs/dbraw/zinc/73/23/97/664732397.db2.gz JABNODUSBWDEJZ-GWCFXTLKSA-N 1 0 383.315 2.578 20 0 GFADRO CN(C(=O)[C@@H]1CC[N@H+](C)C[C@H]1c1cnn(C)c1)c1ccc(Br)cc1 ZINC000928918702 664741616 /nfs/dbraw/zinc/74/16/16/664741616.db2.gz UYNAVRQTGNEUBO-SJORKVTESA-N 1 0 391.313 2.881 20 0 GFADRO COCC(=O)NC1CC[NH+](CCCCOc2ccc(Br)cc2)CC1 ZINC000929270374 664749240 /nfs/dbraw/zinc/74/92/40/664749240.db2.gz WLRJUHVAUMYATB-UHFFFAOYSA-N 1 0 399.329 2.835 20 0 GFADRO C[C@@H]1CCCN(C(=O)C2CCN(Cc3ccc(Br)nc3N)CC2)C1 ZINC000929282103 664749372 /nfs/dbraw/zinc/74/93/72/664749372.db2.gz RZUOIVGAXQDIOB-CYBMUJFWSA-N 1 0 395.345 2.897 20 0 GFADRO CC(C)[N@@H+](Cc1cc(Br)ccc1F)C[C@H](O)C1(O)CCOCC1 ZINC000929384762 664751584 /nfs/dbraw/zinc/75/15/84/664751584.db2.gz ZVJKBXVEGAUTKP-INIZCTEOSA-N 1 0 390.293 2.701 20 0 GFADRO CC(C)[N@@H+](Cc1cc(Br)ccc1F)C[C@@H](O)C1(O)CCOCC1 ZINC000929384764 664751622 /nfs/dbraw/zinc/75/16/22/664751622.db2.gz ZVJKBXVEGAUTKP-MRXNPFEDSA-N 1 0 390.293 2.701 20 0 GFADRO C[NH+](C)CC(C)(C)CNC(=O)C[C@H]1C(=O)Nc2ccc(Br)cc21 ZINC000929458355 664752640 /nfs/dbraw/zinc/75/26/40/664752640.db2.gz HOGVMHSIOJBFNR-CYBMUJFWSA-N 1 0 382.302 2.579 20 0 GFADRO Cc1ccc(NC(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)cc1Br ZINC000929503527 664753415 /nfs/dbraw/zinc/75/34/15/664753415.db2.gz JHFJCXAWUYGTBY-HZPDHXFCSA-N 1 0 382.302 2.820 20 0 GFADRO O[C@H](C[NH2+]C1(c2ccc(Br)cc2)CCCC1)C1(O)CCOCC1 ZINC000929883420 664759019 /nfs/dbraw/zinc/75/90/19/664759019.db2.gz AWYDJSNBNDQSHF-MRXNPFEDSA-N 1 0 384.314 2.710 20 0 GFADRO Cc1cc(C(=O)Nc2ccc(C(=O)NCC[NH+](C)C)cc2)oc1Br ZINC000930156409 664763605 /nfs/dbraw/zinc/76/36/05/664763605.db2.gz XRNZYVCWEHTQSU-UHFFFAOYSA-N 1 0 394.269 2.894 20 0 GFADRO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)Nc2ccc(F)cc2I)C1 ZINC000930271516 664765768 /nfs/dbraw/zinc/76/57/68/664765768.db2.gz VYNKLLSZEZJQNS-ZANVPECISA-N 1 0 389.212 2.598 20 0 GFADRO O=C(NCC1CC[NH+](C[C@H]2CCC[C@@H](C(F)(F)F)O2)CC1)C(F)(F)F ZINC000930309939 664766789 /nfs/dbraw/zinc/76/67/89/664766789.db2.gz YULDJQRPKRSBHU-NEPJUHHUSA-N 1 0 376.341 2.877 20 0 GFADRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)Nc3cc(F)ccc3Br)CC2)C1 ZINC000930349915 664767665 /nfs/dbraw/zinc/76/76/65/664767665.db2.gz CZPBARHGSLWSQI-CQSZACIVSA-N 1 0 399.308 2.832 20 0 GFADRO Brc1ccc(C[N@H+](CCn2ccnc2)C[C@H]2CCC3(COC3)O2)o1 ZINC000930447241 664770609 /nfs/dbraw/zinc/77/06/09/664770609.db2.gz WWZPRQNACNEWSR-OAHLLOKOSA-N 1 0 396.285 2.689 20 0 GFADRO COC(=O)c1ccc(Br)c(C[N@@H+]2CCC[C@H](CCNC(C)=O)C2)c1 ZINC000930493605 664771802 /nfs/dbraw/zinc/77/18/02/664771802.db2.gz OUGVHOXFXIPJCU-CQSZACIVSA-N 1 0 397.313 2.974 20 0 GFADRO CC(=O)N1CCC([N@H+](CCOC2CCSCC2)Cc2cncs2)CC1 ZINC000930559516 664773237 /nfs/dbraw/zinc/77/32/37/664773237.db2.gz MFOBCIVYBSNOCW-UHFFFAOYSA-N 1 0 383.583 2.868 20 0 GFADRO Cc1nc(Br)ccc1NC(=O)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000930688851 664776280 /nfs/dbraw/zinc/77/62/80/664776280.db2.gz AXFOILZWZPOMGS-CYBMUJFWSA-N 1 0 383.290 2.527 20 0 GFADRO C[C@@H]1CCC[N@@H+]1CCNC(=O)Nc1ccc(S(C)(=O)=O)c(C(F)F)c1 ZINC000930726362 664777221 /nfs/dbraw/zinc/77/72/21/664777221.db2.gz NRHJVIZFUQTUDJ-LLVKDONJSA-N 1 0 375.441 2.634 20 0 GFADRO Cc1ccc([C@@H](CNC(=O)c2cc(=O)[nH]cc2Br)[NH+](C)C)cc1 ZINC000930914378 664780794 /nfs/dbraw/zinc/78/07/94/664780794.db2.gz UOKIAXXAODRLMY-OAHLLOKOSA-N 1 0 378.270 2.891 20 0 GFADRO Cc1cc(C)c(NC(=O)N2CCN(C)CC[N@@H+](C)CC2)cc1Br ZINC000930945435 664781665 /nfs/dbraw/zinc/78/16/65/664781665.db2.gz WTCOPDBNPAIQMX-UHFFFAOYSA-N 1 0 383.334 2.777 20 0 GFADRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(C(=O)c2cc(=O)n(C)cc2Br)C1 ZINC000931134724 664786642 /nfs/dbraw/zinc/78/66/42/664786642.db2.gz PRCPMZBQWXXOEQ-MGPQQGTHSA-N 1 0 396.329 2.625 20 0 GFADRO Cc1ccc(NC(=O)NC[C@@H]2CC[N@@H+]2C2CCOCC2)nc1Br ZINC000931323999 664791664 /nfs/dbraw/zinc/79/16/64/664791664.db2.gz VCTKYVHAUODNIJ-ZDUSSCGKSA-N 1 0 383.290 2.527 20 0 GFADRO O=C(Nc1nc(CC(F)(F)F)cs1)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000931573100 664799037 /nfs/dbraw/zinc/79/90/37/664799037.db2.gz KBOQVTPUGSSRNC-MNOVXSKESA-N 1 0 380.461 2.949 20 0 GFADRO CC[NH+]1CCC(N(C)C(=O)C[C@@H]2C(=O)Nc3ccc(Br)cc32)CC1 ZINC000931634843 664801176 /nfs/dbraw/zinc/80/11/76/664801176.db2.gz HKGAZXWWVNDWQO-HNNXBMFYSA-N 1 0 394.313 2.818 20 0 GFADRO Cc1ncc(Br)cc1NC(=O)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000931642844 664801238 /nfs/dbraw/zinc/80/12/38/664801238.db2.gz DMVGUOAQGMQLKE-JSGCOSHPSA-N 1 0 385.331 2.854 20 0 GFADRO C[NH+](C)[C@@H]1CCCN(C(=O)c2cc3ccc(Br)cc3c(=O)o2)C1 ZINC000931692024 664802947 /nfs/dbraw/zinc/80/29/47/664802947.db2.gz IGMAFYDGABAPIE-CYBMUJFWSA-N 1 0 379.254 2.722 20 0 GFADRO CS(C)(=O)=Nc1cccc(NC(=O)N[C@H]2CCC[N@@H+]3CCSC[C@H]23)c1 ZINC000931716322 664803384 /nfs/dbraw/zinc/80/33/84/664803384.db2.gz JGUUJKSKHCPEAL-JKSUJKDBSA-N 1 0 382.555 2.747 20 0 GFADRO O=C(Nc1nn(CC(F)(F)F)cc1Cl)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000931798191 664805213 /nfs/dbraw/zinc/80/52/13/664805213.db2.gz AJOSPCSMRJEPMC-GHMZBOCLSA-N 1 0 397.854 2.800 20 0 GFADRO Cc1nc([C@H]2CC[N@H+](CCC(=O)Nc3cccc(Br)c3)C2)no1 ZINC000931940934 664807536 /nfs/dbraw/zinc/80/75/36/664807536.db2.gz NXJSAAKMCIWEME-LBPRGKRZSA-N 1 0 379.258 2.959 20 0 GFADRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)c1cnc(CCC(F)(F)F)s1 ZINC000932033484 664809326 /nfs/dbraw/zinc/80/93/26/664809326.db2.gz BAGSRWNHKHKFLO-GFCCVEGCSA-N 1 0 379.448 2.821 20 0 GFADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)C/C=C/c1ccc(Br)cc1 ZINC000932185966 664812477 /nfs/dbraw/zinc/81/24/77/664812477.db2.gz IZPIRLGMNXGHBT-NHZBNJEXSA-N 1 0 380.330 2.605 20 0 GFADRO O=C(c1nc(Br)c2ccccn21)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000932272922 664817645 /nfs/dbraw/zinc/81/76/45/664817645.db2.gz OHFGENGBKYJESV-ZDUSSCGKSA-N 1 0 377.286 2.797 20 0 GFADRO O=C(c1ccc2c(Br)cnn2c1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000932273133 664817883 /nfs/dbraw/zinc/81/78/83/664817883.db2.gz NIMNKXPOZCRERV-CQSZACIVSA-N 1 0 377.286 2.797 20 0 GFADRO COC(C)(C)[C@H](C)[NH2+]CC(=O)Nc1ccccc1I ZINC000932370953 664820481 /nfs/dbraw/zinc/82/04/81/664820481.db2.gz WEDQCRRLTFKRGR-JTQLQIEISA-N 1 0 376.238 2.633 20 0 GFADRO Cc1cc(C(=O)N(C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)oc1Br ZINC000932577015 664829318 /nfs/dbraw/zinc/82/93/18/664829318.db2.gz IMIWZLCNLCVTJI-CQSZACIVSA-N 1 0 384.318 2.591 20 0 GFADRO Cc1ncc(NC(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)c(C)c1Br ZINC000932763531 664835390 /nfs/dbraw/zinc/83/53/90/664835390.db2.gz GTMLDQIXKKJZRN-GJZGRUSLSA-N 1 0 397.317 2.524 20 0 GFADRO O=C1NC[C@H](O)CC12CC[NH+]([C@@H]1CCCc3ccc(Br)cc31)CC2 ZINC000932835576 664841418 /nfs/dbraw/zinc/84/14/18/664841418.db2.gz VYESMJDSYFYOFM-NVXWUHKLSA-N 1 0 393.325 2.790 20 0 GFADRO O=C1NC[C@@H](O)CC12CC[NH+]([C@H]1CCCc3ccc(Br)cc31)CC2 ZINC000932835577 664841482 /nfs/dbraw/zinc/84/14/82/664841482.db2.gz VYESMJDSYFYOFM-RDJZCZTQSA-N 1 0 393.325 2.790 20 0 GFADRO COc1ncc(NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c(C)c1Br ZINC000932944708 664844037 /nfs/dbraw/zinc/84/40/37/664844037.db2.gz ADIVWPJPSSWGSY-NEPJUHHUSA-N 1 0 383.290 2.862 20 0 GFADRO Cc1csc(=O)n1CC[NH2+][C@](C)(CO)Cc1ccc(Br)cc1 ZINC000933438145 664864286 /nfs/dbraw/zinc/86/42/86/664864286.db2.gz RVQJUCILILXWSM-INIZCTEOSA-N 1 0 385.327 2.564 20 0 GFADRO C[C@H](C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(I)cc1 ZINC000933490670 664866954 /nfs/dbraw/zinc/86/69/54/664866954.db2.gz CQHPMGCFLXTUAM-TYNCELHUSA-N 1 0 386.277 2.994 20 0 GFADRO CCO[C@@H](CNC(=O)Nc1ccnn1Cc1ccc(Cl)s1)C[NH+](C)C ZINC000933930602 664882057 /nfs/dbraw/zinc/88/20/57/664882057.db2.gz AWSDWOBPQZILLZ-LBPRGKRZSA-N 1 0 385.921 2.735 20 0 GFADRO COCCOc1ccc(NC(=O)NC[C@@H]2CC[N@H+](C)C2)cc1Br ZINC000933982854 664884335 /nfs/dbraw/zinc/88/43/35/664884335.db2.gz ZBFRRGBIYUTDNL-LBPRGKRZSA-N 1 0 386.290 2.548 20 0 GFADRO COC(=O)C[C@@H]([NH2+]Cc1cc(=O)n2cc(Br)ccc2n1)C(C)(C)C ZINC000934033259 664888251 /nfs/dbraw/zinc/88/82/51/664888251.db2.gz YCGZZDCNWMSYQZ-CYBMUJFWSA-N 1 0 396.285 2.524 20 0 GFADRO Cc1c(Br)cncc1NC(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000934271843 664897038 /nfs/dbraw/zinc/89/70/38/664897038.db2.gz IAVVWYRUAIGMRA-CYBMUJFWSA-N 1 0 383.290 2.527 20 0 GFADRO C[C@](CO)([NH2+]C[C@H](O)CC1(O)CCCCC1)c1cccc(Br)c1 ZINC000934492319 664908262 /nfs/dbraw/zinc/90/82/62/664908262.db2.gz BRGXNCUHWKDGQF-IAGOWNOFSA-N 1 0 386.330 2.692 20 0 GFADRO C[NH+](C)CCN(Cc1ccco1)C(=O)c1ccc2c(Br)cnn2c1 ZINC000934492872 664908404 /nfs/dbraw/zinc/90/84/04/664908404.db2.gz FMMCMUONRCEYFF-UHFFFAOYSA-N 1 0 391.269 2.894 20 0 GFADRO CCO[C@H](CNC(=O)NC1(C(F)(F)F)CCC(F)(F)CC1)C[NH+](C)C ZINC000934543924 664911029 /nfs/dbraw/zinc/91/10/29/664911029.db2.gz KUGZCBWZTVJNIO-LLVKDONJSA-N 1 0 375.382 2.763 20 0 GFADRO CN(C)[S@@](C)(=O)=NCC1CC[NH+](Cc2ccc(C(F)(F)F)cn2)CC1 ZINC000934753399 664918914 /nfs/dbraw/zinc/91/89/14/664918914.db2.gz XDUSNXXQQKOQPF-VWLOTQADSA-N 1 0 378.464 2.887 20 0 GFADRO OC[C@H]([NH2+]C[C@@H]1C[C@H]2CCC[C@H]2O1)c1ccccc1I ZINC000934825383 664924092 /nfs/dbraw/zinc/92/40/92/664924092.db2.gz CWCGHCOWBJDJBI-GUYJKWIASA-N 1 0 387.261 2.872 20 0 GFADRO OC[C@@H]([NH2+]CCC1CCOCC1)c1ccccc1I ZINC000934827448 664925304 /nfs/dbraw/zinc/92/53/04/664925304.db2.gz WCSRKEBSMPWRDB-OAHLLOKOSA-N 1 0 375.250 2.731 20 0 GFADRO Cc1c(Br)ccc(F)c1C(=O)NCCCC[N@@H+]1CCC[C@@H]1CO ZINC000934955915 664931863 /nfs/dbraw/zinc/93/18/63/664931863.db2.gz ZWUUMAFKPLLDTP-CYBMUJFWSA-N 1 0 387.293 2.863 20 0 GFADRO C[NH+]1CCC(OCC(=O)NC(C)(C)COc2ncc(Cl)cc2Cl)CC1 ZINC000934997232 664933016 /nfs/dbraw/zinc/93/30/16/664933016.db2.gz NFKZFRAYZWHEOY-UHFFFAOYSA-N 1 0 390.311 2.773 20 0 GFADRO COc1cc(Br)cc(C(=O)N2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)c1 ZINC000935019362 664934420 /nfs/dbraw/zinc/93/44/20/664934420.db2.gz UUHHJCUMGAXLMV-USXIJHARSA-N 1 0 397.313 2.781 20 0 GFADRO C[N@H+]1CC=C(CNC(=O)c2cnn(Cc3ccccc3)c2Br)CC1 ZINC000935250394 664948691 /nfs/dbraw/zinc/94/86/91/664948691.db2.gz JPRKDIJFBPVMFO-UHFFFAOYSA-N 1 0 389.297 2.686 20 0 GFADRO C[C@H](NC(=O)c1ncc(Br)cn1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000935288351 664950965 /nfs/dbraw/zinc/95/09/65/664950965.db2.gz UFLOBQVLRGFKFH-ZFWWWQNUSA-N 1 0 389.297 2.880 20 0 GFADRO C[NH+]1CCC(C)(CNC(=O)[C@](C)(O)c2ccc(F)c(Br)c2)CC1 ZINC000935295911 664951529 /nfs/dbraw/zinc/95/15/29/664951529.db2.gz QMWWJJSCBORHIO-QGZVFWFLSA-N 1 0 387.293 2.644 20 0 GFADRO C[C@H](NC(=O)c1cc(=O)n(C)cc1Br)[C@@H](c1ccccc1)[NH+](C)C ZINC000935437058 664961622 /nfs/dbraw/zinc/96/16/22/664961622.db2.gz GINJTKGBJVQIGI-SJCJKPOMSA-N 1 0 392.297 2.569 20 0 GFADRO CN(CCC[NH+]1CCCC1)C(=O)c1cc2cc(Br)cnc2n1C ZINC000935799478 664989608 /nfs/dbraw/zinc/98/96/08/664989608.db2.gz ZGHDESHRPPYCJK-UHFFFAOYSA-N 1 0 379.302 2.894 20 0 GFADRO CCCCS(=O)(=O)CC(=O)N(C)C[C@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000935883458 664995139 /nfs/dbraw/zinc/99/51/39/664995139.db2.gz SQPZJCOWFBEFRH-MRXNPFEDSA-N 1 0 386.583 2.552 20 0 GFADRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1cnn2cccc(Br)c12 ZINC000935976329 665002262 /nfs/dbraw/zinc/00/22/62/665002262.db2.gz MARHDSBWQWKGLV-DOMZBBRYSA-N 1 0 377.286 2.796 20 0 GFADRO C[C@@H]1[C@H](C(=O)N[C@@H]2CCCC[C@H]2NC(=O)c2ccc(Cl)s2)CC[N@@H+]1C ZINC000976767482 665017301 /nfs/dbraw/zinc/01/73/01/665017301.db2.gz SNLIUXTYFIDFOB-AAVRWANBSA-N 1 0 383.945 2.899 20 0 GFADRO C[C@@H]1CCC[N@@H+]1CC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1csc(Cl)c1)C2 ZINC000996388329 665030887 /nfs/dbraw/zinc/03/08/87/665030887.db2.gz PRVYMNBOJYHAAL-RZFFKMDDSA-N 1 0 381.929 2.748 20 0 GFADRO C[C@H]1CCC[N@@H+]1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cc(Cl)cs1 ZINC001000459058 665046590 /nfs/dbraw/zinc/04/65/90/665046590.db2.gz KBRZHYJGJUSDBU-ATGSNQNLSA-N 1 0 381.929 2.748 20 0 GFADRO C[NH+](C)C1(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ccc(Cl)s2)C3)CCC1 ZINC001000587125 665047670 /nfs/dbraw/zinc/04/76/70/665047670.db2.gz WWYRYTVDHLQYHK-AGIUHOORSA-N 1 0 381.929 2.748 20 0 GFADRO C[NH+](C)[C@@H](C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1csc(Cl)c1)C2)C1CC1 ZINC001002614090 665055564 /nfs/dbraw/zinc/05/55/64/665055564.db2.gz GGTIWRKVOOONNG-HGTKMLMNSA-N 1 0 381.929 2.603 20 0 GFADRO C[NH+](C)C1(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2sccc2Cl)C3)CCC1 ZINC001003326891 665059387 /nfs/dbraw/zinc/05/93/87/665059387.db2.gz NQNAWHBYJCHGGM-BNOWGMLFSA-N 1 0 381.929 2.748 20 0 GFADRO Cc1csc(Cl)c1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001004831559 665065764 /nfs/dbraw/zinc/06/57/64/665065764.db2.gz WTKKIDUVDUGXTA-SYQHCUMBSA-N 1 0 381.929 2.523 20 0 GFADRO O=C([C@@H]1C[C@H]2CC[C@@H]1O2)N1CC[C@H]([NH2+]Cc2ccc(Br)cc2)C1 ZINC001019413908 665073013 /nfs/dbraw/zinc/07/30/13/665073013.db2.gz YKQUWLOJJLQPMA-HZMVEIRTSA-N 1 0 379.298 2.707 20 0 GFADRO Brc1ccoc1CNCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000390656753 677408720 /nfs/dbraw/zinc/40/87/20/677408720.db2.gz KWMVCMKZBNMSHQ-UHFFFAOYSA-N 1 0 378.314 2.950 20 0 GFADRO CCCC[NH+]1CCC(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000391644442 677409337 /nfs/dbraw/zinc/40/93/37/677409337.db2.gz UCHAIVSPAGWLOA-UHFFFAOYSA-N 1 0 375.878 2.791 20 0 GFADRO C[C@H]1CN(C(=O)Nc2nc3ccsc3s2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000534266450 677673279 /nfs/dbraw/zinc/67/32/79/677673279.db2.gz HBUQVALWLRYJRH-GXTWGEPZSA-N 1 0 379.555 2.848 20 0 GFADRO FC(F)(c1cc(-c2ccccc2)nnc1Cl)N1CC[C@@H]2[NH2+]CCO[C@H]2C1 ZINC001164389875 718824940 /nfs/dbraw/zinc/82/49/40/718824940.db2.gz KFJQGQZGGUFJEF-HOCLYGCPSA-N 1 0 380.826 2.909 20 0 GFADRO Cc1ccc(-c2cc(C(F)(F)N3CCN4CC[NH2+]C[C@@H]4C3)c(Cl)nn2)cc1 ZINC001164399830 718844070 /nfs/dbraw/zinc/84/40/70/718844070.db2.gz HJCVBPADMBTJSX-OAHLLOKOSA-N 1 0 393.869 2.744 20 0 GFADRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@@H]2N1C(F)(F)c1cc(Cl)ncc1Cl ZINC001164614139 719013283 /nfs/dbraw/zinc/01/32/83/719013283.db2.gz CRMFHXWMZIANOI-UWJYBYFXSA-N 1 0 380.222 2.663 20 0 GFADRO CCOC(=O)C1CC[NH+](C2CCN(c3cc(-c4nc(C)no4)ccn3)CC2)CC1 ZINC001164617623 719032603 /nfs/dbraw/zinc/03/26/03/719032603.db2.gz ODXHMJGSPSJTGR-UHFFFAOYSA-N 1 0 399.495 2.684 20 0 GFADRO CCS(=O)(=O)c1ccnc(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1 ZINC001164628817 719114527 /nfs/dbraw/zinc/11/45/27/719114527.db2.gz OSBROQFTYSUURF-AZUAARDMSA-N 1 0 385.533 2.976 20 0 GFADRO [NH3+]C1([C@H]2CN(c3ncnc4c3CN(Cc3ccccc3)CC4)C[C@H]2CF)CC1 ZINC001164621838 719116033 /nfs/dbraw/zinc/11/60/33/719116033.db2.gz BDOSTAZOVRIZKP-MJGOQNOKSA-N 1 0 381.499 2.548 20 0 GFADRO COC(=O)c1ccc(C(F)(F)N2C[C@H](CF)[C@@H](C3([NH3+])CC3)C2)c(Cl)n1 ZINC001164622403 719117812 /nfs/dbraw/zinc/11/78/12/719117812.db2.gz BYZCHKSGIZYLIY-ONGXEEELSA-N 1 0 377.794 2.580 20 0 GFADRO O=C(CC1CC1)N[C@@H]1CN(c2ccc(C[NH+]3CCCC3)cn2)C[C@H]2CCCO[C@H]21 ZINC001164652187 719325749 /nfs/dbraw/zinc/32/57/49/719325749.db2.gz CBYKQGZPCABDFW-TXTKFYIRSA-N 1 0 398.551 2.578 20 0 GFADRO Cc1nc(-c2ccncc2)cc(-n2nc(CN(C)C(C)C)c3c2C[NH2+]CC3)n1 ZINC001164679831 719642801 /nfs/dbraw/zinc/64/28/01/719642801.db2.gz OSGFUUKVIMFPLZ-UHFFFAOYSA-N 1 0 377.496 2.519 20 0 GFADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1nc(C)nc3sc4c(c31)CCC4)CC2 ZINC001164689908 719740583 /nfs/dbraw/zinc/74/05/83/719740583.db2.gz OKXVVKRXHNURQT-UHFFFAOYSA-N 1 0 399.564 2.669 20 0 GFADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2nc(C)ccc2C(N)=O)CC3)cs1 ZINC001164693093 719813511 /nfs/dbraw/zinc/81/35/11/719813511.db2.gz UJVOKZPQFJFRSK-UHFFFAOYSA-N 1 0 385.537 2.889 20 0 GFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ncc(C)c(NCC3CC3)n1)C2 ZINC001164806404 720066233 /nfs/dbraw/zinc/06/62/33/720066233.db2.gz CBXUKAHJECFEQX-UGKGYDQZSA-N 1 0 385.556 2.792 20 0 GFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ncccc1C(=O)N1CCCC1)C2 ZINC001164813093 720067682 /nfs/dbraw/zinc/06/76/82/720067682.db2.gz SKTWTZNDVSOUJJ-AUSIDOKSSA-N 1 0 398.551 2.502 20 0 GFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1ccc(Cl)nn1)C2 ZINC001164806398 720086104 /nfs/dbraw/zinc/08/61/04/720086104.db2.gz CBBAGLZDWCUNLD-RHSMWYFYSA-N 1 0 386.874 2.860 20 0 GFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cc(Cl)nc3nc[nH]c31)C2 ZINC001164812473 720107892 /nfs/dbraw/zinc/10/78/92/720107892.db2.gz OMXQSCRSMGBSEV-AUUYWEPGSA-N 1 0 375.904 2.796 20 0 GFADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncnc(OC)c1C)CC2 ZINC001164718562 720115460 /nfs/dbraw/zinc/11/54/60/720115460.db2.gz SJIVESARRMOTIG-IBGZPJMESA-N 1 0 397.523 2.696 20 0 GFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ncc3cccc(OC)c3n1)C2 ZINC001164816216 720121207 /nfs/dbraw/zinc/12/12/07/720121207.db2.gz YLSZICLVBQIWEC-XMSQKQJNSA-N 1 0 382.508 2.823 20 0 GFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ncc(C)cc1C(OC)OC)C2 ZINC001164816254 720150475 /nfs/dbraw/zinc/15/04/75/720150475.db2.gz KLYLDBDVXXPDDU-GCJKJVERSA-N 1 0 389.540 2.866 20 0 GFADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2ncc(Cl)cc2F)CC1 ZINC001164820149 720295540 /nfs/dbraw/zinc/29/55/40/720295540.db2.gz GUXYYAPPBVDQOS-SJORKVTESA-N 1 0 380.895 2.786 20 0 GFADRO CCc1ncnc(Cl)c1N1CC[C@H]2[C@@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164821328 720298986 /nfs/dbraw/zinc/29/89/86/720298986.db2.gz JYKYNMUKFNYVMN-IRXDYDNUSA-N 1 0 391.947 2.604 20 0 GFADRO CC(=O)NC[C@@H]1c2ncn(C(C)C)c2CCN1c1ccc(C[N@H+](C)C2CC2)cn1 ZINC001164725422 720315945 /nfs/dbraw/zinc/31/59/45/720315945.db2.gz VJOQARNSVRGJES-HXUWFJFHSA-N 1 0 396.539 2.693 20 0 GFADRO COc1ccnc(Cl)c1N1CC[C@@H]2[C@@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164822219 720348995 /nfs/dbraw/zinc/34/89/95/720348995.db2.gz CLXXCSQOCSKNLH-JKSUJKDBSA-N 1 0 392.931 2.655 20 0 GFADRO CCOC(=O)c1cc2ccccc2nc1N1Cc2nccn2C[C@H](C[NH+](C)C)C1 ZINC001164729477 720519462 /nfs/dbraw/zinc/51/94/62/720519462.db2.gz OOGCPSHYJJDMHP-INIZCTEOSA-N 1 0 393.491 2.806 20 0 GFADRO COC(=O)c1ccnc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c1C ZINC001164832345 720523283 /nfs/dbraw/zinc/52/32/83/720523283.db2.gz ABNXEXLZPAKEHU-CMKODMSKSA-N 1 0 397.523 2.751 20 0 GFADRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(c2nc(Cl)cc(-c3ccncc3)n2)C1 ZINC001164735278 720533218 /nfs/dbraw/zinc/53/32/18/720533218.db2.gz NUDBRRPZTUEREH-CQSZACIVSA-N 1 0 383.887 2.587 20 0 GFADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3nccc(C(F)F)n3)CC[C@@H]21 ZINC001164835552 720585977 /nfs/dbraw/zinc/58/59/77/720585977.db2.gz BEMRRJWAOVRSAF-VYDXJSESSA-N 1 0 376.455 2.989 20 0 GFADRO CC(=O)Nc1c(C)ccnc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001164835918 720587195 /nfs/dbraw/zinc/58/71/95/720587195.db2.gz CRXRNEJDMVQLER-XUVXKRRUSA-N 1 0 396.539 2.923 20 0 GFADRO c1nc2n(c1C[NH+]1CCCC1)CCN(c1nccc3c4c([nH]c31)CCC4)CC2 ZINC001164739076 720594435 /nfs/dbraw/zinc/59/44/35/720594435.db2.gz DWEZBLZXDVFFKZ-UHFFFAOYSA-N 1 0 376.508 2.907 20 0 GFADRO c1ncn(C[C@@H]2C[C@H]3CN(c4ccc5c(n4)CCC5)CC[C@@H]3[N@@H+]2CC2CC2)n1 ZINC001164744453 720823301 /nfs/dbraw/zinc/82/33/01/720823301.db2.gz UGJYQFOSECMHNI-ZJOUEHCJSA-N 1 0 378.524 2.541 20 0 GFADRO CC(C)Oc1cccc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164741535 720833244 /nfs/dbraw/zinc/83/32/44/720833244.db2.gz FIHALMQIOOLZNR-XUVXKRRUSA-N 1 0 396.539 2.840 20 0 GFADRO COCC[N@@H+]1CCO[C@@H]2CN(c3nc4ccc(C)cc4nc3Cl)CC[C@H]2C1 ZINC001164858334 720851693 /nfs/dbraw/zinc/85/16/93/720851693.db2.gz ZQIHYLHRSXPSPK-MAUKXSAKSA-N 1 0 390.915 2.765 20 0 GFADRO c1cncc(COC[C@H]2C[N@H+](CC3CC3)C[C@@]23CCN(c2cccnn2)C3)c1 ZINC001164752873 720867979 /nfs/dbraw/zinc/86/79/79/720867979.db2.gz NGDPQQWDYOGALE-IFMALSPDSA-N 1 0 379.508 2.627 20 0 GFADRO Nc1cccnc1N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164749967 720880154 /nfs/dbraw/zinc/88/01/54/720880154.db2.gz IEVBPFMBSIOIIZ-NZQKXSOJSA-N 1 0 393.535 2.814 20 0 GFADRO COCC[N@@H+]1CCO[C@@H]2CN(c3c(F)ccc4c(Cl)ncnc43)CC[C@H]2C1 ZINC001164864754 720890863 /nfs/dbraw/zinc/89/08/63/720890863.db2.gz WXCVUNUDCWTFPW-XJKSGUPXSA-N 1 0 394.878 2.596 20 0 GFADRO CSc1nc(Cl)nc(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@H]2C)n1 ZINC001164862972 720943620 /nfs/dbraw/zinc/94/36/20/720943620.db2.gz XIQIQKUVKOKEDO-LLVKDONJSA-N 1 0 381.937 2.865 20 0 GFADRO C[NH+](C)CCNC(=O)c1noc2c1CN(c1nccc3c(Cl)cccc31)CC2 ZINC001164750696 720954172 /nfs/dbraw/zinc/95/41/72/720954172.db2.gz MQZXKAXKISCYHS-UHFFFAOYSA-N 1 0 399.882 2.730 20 0 GFADRO COC(=O)c1cc(F)c(C)nc1N1CCn2c(C[N@H+](C)C(C)C)cnc2[C@@H]1C ZINC001164857855 720962553 /nfs/dbraw/zinc/96/25/53/720962553.db2.gz HNVYFLADXPVQPV-AWEZNQCLSA-N 1 0 389.475 2.934 20 0 GFADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1[nH]c3cc(=O)[nH]c-3cc1Cl)[C@@H]2C ZINC001164859304 720966434 /nfs/dbraw/zinc/96/64/34/720966434.db2.gz MMPKBVLDMCNEGG-GFCCVEGCSA-N 1 0 388.903 2.848 20 0 GFADRO Clc1nc2ncccc2c(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164870908 721060020 /nfs/dbraw/zinc/06/00/20/721060020.db2.gz XJTWVPHIYBRKGZ-CVEARBPZSA-N 1 0 396.882 2.553 20 0 GFADRO CSc1nc(Cl)ncc1N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164865692 721087649 /nfs/dbraw/zinc/08/76/49/721087649.db2.gz OKIJEJWIROJSSV-HUUCEWRRSA-N 1 0 391.928 2.727 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4cc(Oc5ccccc5)ncn4)C[C@H]3C2)cn1 ZINC001164765870 721091253 /nfs/dbraw/zinc/09/12/53/721091253.db2.gz KBBDEPXNZQCQKL-RTBURBONSA-N 1 0 390.491 2.961 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4ncnc5c(Cl)cccc54)C[C@@H]3C2)cn1 ZINC001164762122 721093375 /nfs/dbraw/zinc/09/33/75/721093375.db2.gz CNYZDUBJFAKZAM-CVEARBPZSA-N 1 0 382.899 2.975 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4nc5ccccc5nc4Cl)C[C@@H]3C2)cn1 ZINC001164767321 721110348 /nfs/dbraw/zinc/11/03/48/721110348.db2.gz MTBPHNYROWTNIH-HOTGVXAUSA-N 1 0 382.899 2.975 20 0 GFADRO CC(C)n1ccc2c1ncnc2N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164872271 721130593 /nfs/dbraw/zinc/13/05/93/721130593.db2.gz HGATUYLDRABUIJ-RBUKOAKNSA-N 1 0 392.507 2.887 20 0 GFADRO COc1nnc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)c2ccccc21 ZINC001164872611 721139998 /nfs/dbraw/zinc/13/99/98/721139998.db2.gz HWUIRRAKLHFPAV-ROUUACIJSA-N 1 0 391.475 2.513 20 0 GFADRO CSc1cnc(Cl)nc1N1C[C@@H]2C[N@@H+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001164764210 721141539 /nfs/dbraw/zinc/14/15/39/721141539.db2.gz HKSZDAXQMPIMLG-KGLIPLIRSA-N 1 0 378.933 2.544 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4ncnc5[nH]c6ccccc6c54)C[C@@H]3C2)cn1 ZINC001164767242 721145586 /nfs/dbraw/zinc/14/55/86/721145586.db2.gz LYYSXNKJOWSGRT-IRXDYDNUSA-N 1 0 387.491 2.803 20 0 GFADRO COc1cccc2ncnc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)c21 ZINC001164871641 721151406 /nfs/dbraw/zinc/15/14/06/721151406.db2.gz GBOYZKRTBZBVRB-ZWKOTPCHSA-N 1 0 391.475 2.513 20 0 GFADRO CCCSc1cncc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164881037 721158406 /nfs/dbraw/zinc/15/84/06/721158406.db2.gz YVLSZBHMNQRSGZ-MSOLQXFVSA-N 1 0 385.537 2.853 20 0 GFADRO CC(C)Sc1ccc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)nn1 ZINC001164876992 721165168 /nfs/dbraw/zinc/16/51/68/721165168.db2.gz NMDNHXPJEPLQGT-ZWKOTPCHSA-N 1 0 385.537 2.852 20 0 GFADRO c1cc2c(nc(C3CC3)nc2N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)[nH]1 ZINC001164881125 721179887 /nfs/dbraw/zinc/17/98/87/721179887.db2.gz ZEXNBHJXZYIJKA-MSOLQXFVSA-N 1 0 390.491 2.710 20 0 GFADRO Cc1cc(N2C[C@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)nc(-c2ccccn2)n1 ZINC001164766703 721193350 /nfs/dbraw/zinc/19/33/50/721193350.db2.gz JCBCMABYUBWOST-RTBURBONSA-N 1 0 389.507 2.539 20 0 GFADRO Cc1csc2nc(C)nc(N3C[C@@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@H]4C3)c12 ZINC001164770130 721216738 /nfs/dbraw/zinc/21/67/38/721216738.db2.gz NMKYSBOKKWXZGA-IRXDYDNUSA-N 1 0 382.537 3.000 20 0 GFADRO CCN1C(C)=N[C@@]2(CC[C@H]3CN(c4ccc(C[NH+]5CCCC5)cn4)C[C@@H]32)C1=O ZINC001164874740 721232450 /nfs/dbraw/zinc/23/24/50/721232450.db2.gz SYXPEPPMSVQJFD-CNNODRBYSA-N 1 0 381.524 2.543 20 0 GFADRO Cc1nc(C(C)C)cc(N2CC[C@@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)n1 ZINC001164886774 721386215 /nfs/dbraw/zinc/38/62/15/721386215.db2.gz GEBNPUHZQZSSSI-SIKLNZKXSA-N 1 0 387.572 2.674 20 0 GFADRO COc1cc(Cl)nc(N2CC[C@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)c1 ZINC001164889491 721405752 /nfs/dbraw/zinc/40/57/52/721405752.db2.gz RCXDZKWPDVFPCY-UZLBHIALSA-N 1 0 394.947 2.509 20 0 GFADRO C[NH+](C)Cc1ccnc(N2Cc3nccn3C[C@@H](COCc3ccccn3)C2)c1 ZINC001164892183 721470160 /nfs/dbraw/zinc/47/01/60/721470160.db2.gz PLFXEILPJPCECK-LJQANCHMSA-N 1 0 392.507 2.588 20 0 GFADRO Fc1cccc(O[C@H]2C[C@@H]3CN(c4nccc(N5CCCC5)n4)CC[N@@H+]3C2)c1 ZINC001164897282 721507623 /nfs/dbraw/zinc/50/76/23/721507623.db2.gz FOOXMNDRQONIRE-MJGOQNOKSA-N 1 0 383.471 2.558 20 0 GFADRO Cc1cc(N2CCCC2)nc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)n1 ZINC001164900471 721508206 /nfs/dbraw/zinc/50/82/06/721508206.db2.gz REXGVWFTCCKXCC-ICSRJNTNSA-N 1 0 397.498 2.866 20 0 GFADRO Cc1cccc2ccc(N3CCn4cc(CN5CC[NH+](C)CC5)nc4C3)nc12 ZINC001164795946 721508407 /nfs/dbraw/zinc/50/84/07/721508407.db2.gz OWVUAFQBFZOSTR-UHFFFAOYSA-N 1 0 376.508 2.507 20 0 GFADRO CC1(C)OC(=O)c2c1ccnc2N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164911357 721528716 /nfs/dbraw/zinc/52/87/16/721528716.db2.gz WIPDWHVUIPRQNC-RDJZCZTQSA-N 1 0 397.450 2.968 20 0 GFADRO Cc1nc2ccc(N3CC[N@@H+]4C[C@H](Oc5cccc(F)c5)C[C@H]4C3)nc2n1C ZINC001164909306 721533702 /nfs/dbraw/zinc/53/37/02/721533702.db2.gz RGVFADJZBQUWFS-FUHWJXTLSA-N 1 0 381.455 2.758 20 0 GFADRO Fc1cccc(O[C@@H]2C[C@H]3CN(c4ncc(OC(F)F)cn4)CC[N@@H+]3C2)c1 ZINC001164905244 721541996 /nfs/dbraw/zinc/54/19/96/721541996.db2.gz HEYRPFGBKODTCK-DZGCQCFKSA-N 1 0 380.370 2.559 20 0 GFADRO Fc1cccc(O[C@H]2C[C@@H]3CN(c4cc(-c5ncc[nH]5)ccn4)CC[N@@H+]3C2)c1 ZINC001164908126 721546574 /nfs/dbraw/zinc/54/65/74/721546574.db2.gz PBVNHSCULRBTGO-MJGOQNOKSA-N 1 0 379.439 2.953 20 0 GFADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncnc3c2CCCC3)[C@H]2CCCO[C@H]12 ZINC001164800760 721548488 /nfs/dbraw/zinc/54/84/88/721548488.db2.gz DMWDTDHLJHDSCI-HBMCJLEFSA-N 1 0 379.508 2.619 20 0 GFADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc(C(N)=O)cc(Cl)n3)C[C@H]21 ZINC001165018569 721801659 /nfs/dbraw/zinc/80/16/59/721801659.db2.gz BIYGROCVFRRNQF-BMGDILEWSA-N 1 0 399.926 2.966 20 0 GFADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ncc(Cl)cc3C(N)=O)C[C@H]21 ZINC001165026369 721802816 /nfs/dbraw/zinc/80/28/16/721802816.db2.gz QZESLTBIJGMPCJ-NIKGAXFTSA-N 1 0 399.926 2.966 20 0 GFADRO CCOC(=O)c1cncc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)n1 ZINC001165019756 721810831 /nfs/dbraw/zinc/81/08/31/721810831.db2.gz BQLOIMYSDQAYMH-HQRMLTQVSA-N 1 0 395.507 2.785 20 0 GFADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2nccc(C)c2C(N)=O)CC1 ZINC001165020510 721840431 /nfs/dbraw/zinc/84/04/31/721840431.db2.gz JXQIUZOEQUNZHB-UHFFFAOYSA-N 1 0 398.507 2.607 20 0 GFADRO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2c1nc2cc(F)c(F)cc2nc1Cl ZINC001164925194 721859450 /nfs/dbraw/zinc/85/94/50/721859450.db2.gz DLHIHKMBFVUQSV-JKSUJKDBSA-N 1 0 381.858 2.776 20 0 GFADRO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2c1ncnc2c(-c3ccccc3)nsc21 ZINC001164929567 721880554 /nfs/dbraw/zinc/88/05/54/721880554.db2.gz BTPSNUVKBQWVHA-DLBZAZTESA-N 1 0 394.548 2.968 20 0 GFADRO Cc1ccc(-c2nc3c(ncnc3N3CC[C@H]4[C@@H]3CCN4CC[NH+](C)C)o2)cc1 ZINC001164934407 721881083 /nfs/dbraw/zinc/88/10/83/721881083.db2.gz RLDBESMXYCBYEY-ROUUACIJSA-N 1 0 392.507 2.808 20 0 GFADRO COC(=O)/C=C\c1cc(C)cnc1N1CC[NH+](CCOc2ccccc2)CC1 ZINC001165045552 721958179 /nfs/dbraw/zinc/95/81/79/721958179.db2.gz YCZOCDFTKFKRLI-HJWRWDBZSA-N 1 0 381.476 2.777 20 0 GFADRO CC(C)NS(=O)(=O)c1ccc(N2CCCC[C@H]2CC[NH+]2CCCC2)nc1 ZINC001165050139 721975380 /nfs/dbraw/zinc/97/53/80/721975380.db2.gz VAUAFWUWFRESQG-KRWDZBQOSA-N 1 0 380.558 2.613 20 0 GFADRO CCOC(=O)N1CCc2nnc(N3CCCC[C@H]3CC[NH+]3CCCC3)cc2C1 ZINC001165050600 721975940 /nfs/dbraw/zinc/97/59/40/721975940.db2.gz ZMKHNOFYDCDYLE-SFHVURJKSA-N 1 0 387.528 2.836 20 0 GFADRO CC[NH+](CC)C1CCN(c2ccc(S(=O)(=O)NCCC(C)C)cn2)CC1 ZINC001165054061 722005965 /nfs/dbraw/zinc/00/59/65/722005965.db2.gz YIKXLCFZURQDSZ-UHFFFAOYSA-N 1 0 382.574 2.717 20 0 GFADRO COC(=O)c1cnc(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)cc1OC ZINC001164954314 722013901 /nfs/dbraw/zinc/01/39/01/722013901.db2.gz KLHDBUPYHZJDRH-UHFFFAOYSA-N 1 0 396.491 2.764 20 0 GFADRO CN(C)c1ccc(-c2ccnc(N3CC[NH+](CCc4ccccn4)CC3)n2)cc1 ZINC001165056652 722016192 /nfs/dbraw/zinc/01/61/92/722016192.db2.gz ZMDYSNGBXAYXQK-UHFFFAOYSA-N 1 0 388.519 2.969 20 0 GFADRO CN(C)C(=O)c1ccc(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)nc1 ZINC001164953595 722016402 /nfs/dbraw/zinc/01/64/02/722016402.db2.gz VOKYOSMSMGIDON-UHFFFAOYSA-N 1 0 379.508 2.671 20 0 GFADRO CCCc1nccnc1N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164963757 722061994 /nfs/dbraw/zinc/06/19/94/722061994.db2.gz CTLCREMAHIDWHV-UHFFFAOYSA-N 1 0 381.524 2.943 20 0 GFADRO c1[nH]c2ccccc2c1-c1ccnc(N2C[C@@H]3C[N@H+](CC4CC4)C[C@H](C2)O3)n1 ZINC001164967267 722071411 /nfs/dbraw/zinc/07/14/11/722071411.db2.gz LMXYAYMBGUVVPW-CALCHBBNSA-N 1 0 375.476 2.924 20 0 GFADRO CC[N@@H+]1CCCC[C@H]1c1ccc(N2CCO[C@@]3(CCCN(C(C)=O)C3)C2)nc1 ZINC001164970075 722084175 /nfs/dbraw/zinc/08/41/75/722084175.db2.gz UEZOVUXNORWLIB-RBBKRZOGSA-N 1 0 386.540 2.846 20 0 GFADRO c1cncc(C[N@@H+]2CCO[C@H]3CN(c4ccc5ncccc5n4)CC[C@H]3C2)c1 ZINC001164972429 722112202 /nfs/dbraw/zinc/11/22/02/722112202.db2.gz FGCNISBSSPCILM-RXVVDRJESA-N 1 0 375.476 2.752 20 0 GFADRO c1ccc2nnc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)cc2c1 ZINC001164983639 722120225 /nfs/dbraw/zinc/12/02/25/722120225.db2.gz YTJMWWIXBCBYAN-CTNGQTDRSA-N 1 0 375.476 2.752 20 0 GFADRO c1nc2ccnc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)c2s1 ZINC001164978090 722133174 /nfs/dbraw/zinc/13/31/74/722133174.db2.gz JSZUSNNIUUOVBK-FUHWJXTLSA-N 1 0 381.505 2.814 20 0 GFADRO Fc1nc(F)c(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c(Cl)n1 ZINC001164975208 722137269 /nfs/dbraw/zinc/13/72/69/722137269.db2.gz FSPBWWPBFQOTMH-UONOGXRCSA-N 1 0 395.841 2.531 20 0 GFADRO COc1ccc2ccc(N3CCCn4cnc(COCC[NH+](C)C)c4C3)nc2c1 ZINC001165001524 722254411 /nfs/dbraw/zinc/25/44/11/722254411.db2.gz AVAUUNRYLWXNGF-UHFFFAOYSA-N 1 0 395.507 2.928 20 0 GFADRO COc1ccc2cnc(N3CCCn4cnc(COCC[NH+](C)C)c4C3)cc2c1 ZINC001165001617 722255128 /nfs/dbraw/zinc/25/51/28/722255128.db2.gz CZXFGMRRPRTHJI-UHFFFAOYSA-N 1 0 395.507 2.928 20 0 GFADRO Cc1cc(N2CCCn3cnc(COCC[NH+](C)C)c3C2)nc(-c2ccco2)n1 ZINC001165003812 722257024 /nfs/dbraw/zinc/25/70/24/722257024.db2.gz IHYXGUVIGNKWIH-UHFFFAOYSA-N 1 0 396.495 2.730 20 0 GFADRO CC[NH+](CC)[C@@H](CNc1ncc(S(N)(=O)=O)s1)c1ccccc1Cl ZINC000506824099 532755369 /nfs/dbraw/zinc/75/53/69/532755369.db2.gz MBNVLHVPMSKFCN-ZDUSSCGKSA-N 1 0 388.946 2.939 20 0 GFADRO C[N@@H+]1CC[C@@H](CNS(=O)(=O)c2ccc(N)cc2)[C@H]1c1cccc(Cl)c1 ZINC000359899050 209200342 /nfs/dbraw/zinc/20/03/42/209200342.db2.gz MPEOWCDLPIKVIH-KBXCAEBGSA-N 1 0 379.913 2.894 20 0 GFADRO Brc1cncc(Br)c1CN[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000394567245 563530466 /nfs/dbraw/zinc/53/04/66/563530466.db2.gz LVWVXBBXAMBBSB-SECBINFHSA-N 1 0 375.108 2.933 20 0 GFADRO CC1CC[NH+]([C@@H](CNC(=O)c2cnc3ccccn3c2=O)c2ccccc2)CC1 ZINC000072006857 211067730 /nfs/dbraw/zinc/06/77/30/211067730.db2.gz RVJZMNAARYKQRJ-FQEVSTJZSA-N 1 0 390.487 2.898 20 0 GFADRO COCC[C@@](C)(O)C[NH2+]Cc1cc(Cl)ccc1I ZINC000405352011 563538470 /nfs/dbraw/zinc/53/84/70/563538470.db2.gz VMNRKDKWTSSMNZ-CYBMUJFWSA-N 1 0 383.657 2.822 20 0 GFADRO COc1ccc(S(=O)(=O)N2CCC[C@@H](C)[C@@H]2CC[NH3+])cc1Br ZINC000405306881 563538505 /nfs/dbraw/zinc/53/85/05/563538505.db2.gz LDVNONQWWNEMLT-RISCZKNCSA-N 1 0 391.331 2.596 20 0 GFADRO CC(C)(O)C[NH+]1CCN(Cc2c(F)c(F)c(Br)c(F)c2F)CC1 ZINC000411223438 563610678 /nfs/dbraw/zinc/61/06/78/563610678.db2.gz CSYSPOGJZNJQAI-UHFFFAOYSA-N 1 0 399.226 2.894 20 0 GFADRO C[NH+](C)[C@@H]1CCCN(S(=O)(=O)c2cc(Br)sc2Cl)C1 ZINC000433646923 563617177 /nfs/dbraw/zinc/61/71/77/563617177.db2.gz URAOEEWZCKBQOS-MRVPVSSYSA-N 1 0 387.752 2.879 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)c3c(F)cccc3I)C[C@H]21 ZINC000363651384 563729399 /nfs/dbraw/zinc/72/93/99/563729399.db2.gz KUWFPXBNMFPFOZ-GIPNMCIBSA-N 1 0 388.224 2.630 20 0 GFADRO C[C@@H](NS(=O)(=O)c1cc(Cl)ccc1Br)[C@@H]1CCC[NH2+]C1 ZINC000440732750 563748742 /nfs/dbraw/zinc/74/87/42/563748742.db2.gz IHXQHEOYDDDCKI-NXEZZACHSA-N 1 0 381.723 2.769 20 0 GFADRO O=S(=O)(c1cc(Cl)ccc1Br)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000440756449 563749392 /nfs/dbraw/zinc/74/93/92/563749392.db2.gz JNVZUPQLMBEPSR-LLVKDONJSA-N 1 0 379.707 2.618 20 0 GFADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)COc2ccc(Cl)cc2Cl)C1 ZINC000018188477 551114018 /nfs/dbraw/zinc/11/40/18/551114018.db2.gz JDJMXYNGZDIHLB-AWEZNQCLSA-N 1 0 375.296 2.845 20 0 GFADRO C[NH+]1CCN(c2ccc(NC(=O)c3cccc(Br)c3)cn2)CC1 ZINC000020372886 551115683 /nfs/dbraw/zinc/11/56/83/551115683.db2.gz YIWKNKBKQBTRJR-UHFFFAOYSA-N 1 0 375.270 2.848 20 0 GFADRO CCCC[N@H+](CC(=O)NCC(=O)Nc1ccccc1Br)C1CC1 ZINC000026450610 551121210 /nfs/dbraw/zinc/12/12/10/551121210.db2.gz PLNRHUCLTNCDPS-UHFFFAOYSA-N 1 0 382.302 2.768 20 0 GFADRO O=S(=O)(c1cc(Cl)sc1Cl)N1CCN(c2cc[nH+]cc2)CC1 ZINC000030496763 551128124 /nfs/dbraw/zinc/12/81/24/551128124.db2.gz VGGOQGRDRRVFKF-UHFFFAOYSA-N 1 0 378.306 2.961 20 0 GFADRO Cc1ccc(Br)cc1S(=O)(=O)NCC[NH+]1CCC(C)CC1 ZINC000040436033 551134254 /nfs/dbraw/zinc/13/42/54/551134254.db2.gz QBYSVOQOWPNPMV-UHFFFAOYSA-N 1 0 375.332 2.768 20 0 GFADRO Cc1ccc(Br)cc1S(=O)(=O)N1CCC(C[NH+](C)C)CC1 ZINC000040692202 551134898 /nfs/dbraw/zinc/13/48/98/551134898.db2.gz CQXZRZHKHIKXNK-UHFFFAOYSA-N 1 0 375.332 2.720 20 0 GFADRO Cc1nc(-c2cccs2)sc1C(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000041361784 551135167 /nfs/dbraw/zinc/13/51/67/551135167.db2.gz JEBKPTFICIQQIZ-UHFFFAOYSA-N 1 0 378.567 2.937 20 0 GFADRO Cc1ccc(C[NH2+]Cc2ccc(S(=O)(=O)N3CCOCC3)s2)cc1C ZINC000042228399 551139229 /nfs/dbraw/zinc/13/92/29/551139229.db2.gz NVRKUZHLRZASAX-UHFFFAOYSA-N 1 0 380.535 2.676 20 0 GFADRO CCN1CC[NH+](CCCCNC(=O)COc2cc(Cl)ccc2Cl)CC1 ZINC000042594698 551139703 /nfs/dbraw/zinc/13/97/03/551139703.db2.gz FQEXFIGHBJMEJJ-UHFFFAOYSA-N 1 0 388.339 2.906 20 0 GFADRO CC(=O)NCC1CC[NH+](C[C@@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000047773376 551153596 /nfs/dbraw/zinc/15/35/96/551153596.db2.gz YTLQKHYIKPVPAD-OAHLLOKOSA-N 1 0 375.296 2.581 20 0 GFADRO C[C@H](CNS(=O)(=O)c1ccc(Br)s1)C[NH+]1CCCCC1 ZINC000048440420 551156644 /nfs/dbraw/zinc/15/66/44/551156644.db2.gz OEVUGWIMIYTVHA-LLVKDONJSA-N 1 0 381.361 2.911 20 0 GFADRO C[C@H](CNC(=O)CCc1nc(-c2cc(Br)cs2)no1)[NH+](C)C ZINC000052985988 551165293 /nfs/dbraw/zinc/16/52/93/551165293.db2.gz NBMMIRAJLYGVLR-SECBINFHSA-N 1 0 387.303 2.560 20 0 GFADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)NC[C@H]1CCCOC1 ZINC000056742772 551177970 /nfs/dbraw/zinc/17/79/70/551177970.db2.gz CKMUFEFWDRDHRV-MRXNPFEDSA-N 1 0 398.345 2.949 20 0 GFADRO CC[NH+]1CCC(CNC(=O)Cc2cc3c(cc2Br)OCCO3)CC1 ZINC000057001449 551179094 /nfs/dbraw/zinc/17/90/94/551179094.db2.gz OUHKEJJUIBINDA-UHFFFAOYSA-N 1 0 397.313 2.611 20 0 GFADRO CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2c(C)cc(Br)cc2C)C1 ZINC000067393774 551188224 /nfs/dbraw/zinc/18/82/24/551188224.db2.gz QFLULJFDQFSNMI-CQSZACIVSA-N 1 0 396.329 2.853 20 0 GFADRO C[C@@H](C(=O)NCCNC(=O)c1ccc(Br)cc1)[NH+]1[C@H](C)CC[C@H]1C ZINC000101651051 551197362 /nfs/dbraw/zinc/19/73/62/551197362.db2.gz ZOKWNPFUVYRMKW-MCIONIFRSA-N 1 0 396.329 2.556 20 0 GFADRO O=C(c1ccc(I)c(F)c1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000104387838 551198285 /nfs/dbraw/zinc/19/82/85/551198285.db2.gz BJGHOLYGXCISLN-GFCCVEGCSA-N 1 0 388.224 2.741 20 0 GFADRO O=C(NCc1ccc(Br)cc1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000106578457 551200593 /nfs/dbraw/zinc/20/05/93/551200593.db2.gz HTTKXMPFSSMJLN-UHFFFAOYSA-N 1 0 396.329 2.703 20 0 GFADRO C[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)N[C@@H](C)CN1CC[NH+](C)CC1 ZINC000106553677 551200741 /nfs/dbraw/zinc/20/07/41/551200741.db2.gz UTRREDZUKDZPRO-KBPBESRZSA-N 1 0 387.355 2.860 20 0 GFADRO C[NH+](C)[C@@H](CNc1ccc(S(=O)(=O)NCC2CC2)cn1)c1cccs1 ZINC000110100056 551202558 /nfs/dbraw/zinc/20/25/58/551202558.db2.gz KCGQXMLKMOSTRQ-HNNXBMFYSA-N 1 0 380.539 2.546 20 0 GFADRO C[C@@H]1CCC[N@H+](CCNC(=O)c2cc(=O)c3cc(Br)ccc3[nH]2)C1 ZINC000112629678 551206064 /nfs/dbraw/zinc/20/60/64/551206064.db2.gz FVSHCGZLWJAOSD-GFCCVEGCSA-N 1 0 392.297 2.752 20 0 GFADRO COc1ccc(C[N@@H+]2CCC[C@@H](Cn3ccnn3)C2)c(Br)c1OC ZINC000119476023 551216812 /nfs/dbraw/zinc/21/68/12/551216812.db2.gz WLGAPOANEDTTIM-CYBMUJFWSA-N 1 0 395.301 2.970 20 0 GFADRO Cc1ccc(NC(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c(Br)c1 ZINC000120326826 551219292 /nfs/dbraw/zinc/21/92/92/551219292.db2.gz VWZHOIUVMZANPH-BBRMVZONSA-N 1 0 394.313 2.639 20 0 GFADRO CN(Cc1cc(Br)cs1)C(=O)C[N@H+](C)C1CCC(CO)CC1 ZINC000120351967 551219869 /nfs/dbraw/zinc/21/98/69/551219869.db2.gz ZZXGMYLIFFJHEK-UHFFFAOYSA-N 1 0 389.359 2.952 20 0 GFADRO C[NH2+]CCCNC(=O)c1cccc(NC(=O)c2ccc(Br)o2)c1 ZINC000121065836 551226088 /nfs/dbraw/zinc/22/60/88/551226088.db2.gz XOHFVFYUVCNWRH-UHFFFAOYSA-N 1 0 380.242 2.634 20 0 GFADRO Cc1cccc(NC(=O)C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)c1Br ZINC000121122921 551227899 /nfs/dbraw/zinc/22/78/99/551227899.db2.gz GNMJPMNEIKTYJX-CHWSQXEVSA-N 1 0 382.302 2.685 20 0 GFADRO C[NH+]1CCN(CCCNC(=O)CCSc2nc3ccccc3s2)CC1 ZINC000121137790 551228005 /nfs/dbraw/zinc/22/80/05/551228005.db2.gz YSRXKNCVMQYSML-UHFFFAOYSA-N 1 0 378.567 2.532 20 0 GFADRO COCC[N@H+](C)CCCNC(=O)N(C)Cc1cc(Br)cs1 ZINC000121414346 551234319 /nfs/dbraw/zinc/23/43/19/551234319.db2.gz ZKTCBCWZUDOIGE-UHFFFAOYSA-N 1 0 378.336 2.620 20 0 GFADRO CC(C)c1cc(Br)ccc1NC(=O)C(=O)NC[C@H](C1CC1)[NH+](C)C ZINC000121920555 551292477 /nfs/dbraw/zinc/29/24/77/551292477.db2.gz UGLUTUCIBPIRCU-MRXNPFEDSA-N 1 0 396.329 2.967 20 0 GFADRO Cc1sc(Br)cc1S(=O)(=O)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000122275262 551296846 /nfs/dbraw/zinc/29/68/46/551296846.db2.gz KERXHCMJHYJEJD-JTQLQIEISA-N 1 0 379.345 2.772 20 0 GFADRO O=S(=O)(NCC[NH2+]Cc1cc(F)cc(C(F)(F)F)c1)c1cccs1 ZINC000122205531 551295817 /nfs/dbraw/zinc/29/58/17/551295817.db2.gz WKPGYXACTZUQMT-UHFFFAOYSA-N 1 0 382.404 2.974 20 0 GFADRO Cc1sc(Br)cc1S(=O)(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000122271811 551296888 /nfs/dbraw/zinc/29/68/88/551296888.db2.gz FWJHISHXWYRFNT-JTQLQIEISA-N 1 0 379.345 2.582 20 0 GFADRO Cc1sc(Br)cc1S(=O)(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000122381420 551297339 /nfs/dbraw/zinc/29/73/39/551297339.db2.gz WOCRBXIXDAWUQP-WDEREUQCSA-N 1 0 379.345 2.724 20 0 GFADRO CCC(=O)N1CCC[N@H+](C[C@@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000122717152 551301299 /nfs/dbraw/zinc/30/12/99/551301299.db2.gz VVCDTVVCJBUUDZ-CYBMUJFWSA-N 1 0 375.296 2.677 20 0 GFADRO C[C@@H]1C[C@H](NS(=O)(=O)Cc2ccc(OC(F)(F)F)cc2)C[N@@H+]1C1CC1 ZINC000124116971 551311056 /nfs/dbraw/zinc/31/10/56/551311056.db2.gz PXICMDUSMGROMI-YPMHNXCESA-N 1 0 378.416 2.630 20 0 GFADRO C[C@H]1CCCC[N@@H+]1CCC1CCN(S(=O)(=O)c2cn(C)c(Cl)n2)CC1 ZINC000124879389 551318517 /nfs/dbraw/zinc/31/85/17/551318517.db2.gz JASGFVIFUFTHRR-AWEZNQCLSA-N 1 0 388.965 2.739 20 0 GFADRO C[C@@H]1C[NH2+]CCN1C(=O)c1ccc(NC(=O)c2ccc(Br)o2)cc1 ZINC000124921374 551319027 /nfs/dbraw/zinc/31/90/27/551319027.db2.gz SPJZOJRFUDFQNH-LLVKDONJSA-N 1 0 392.253 2.728 20 0 GFADRO Cc1cccc(C(=O)N2CCCC[C@H]([NH+]3CCN(C)CC3)C2)c1Br ZINC000125160229 551319752 /nfs/dbraw/zinc/31/97/52/551319752.db2.gz XBJLWWYEVRLJAA-INIZCTEOSA-N 1 0 394.357 3.000 20 0 GFADRO O=C1C[C@@H]([C@H]2CCCC[N@H+]2Cc2cc3c(cc2Br)OCO3)CN1 ZINC000125145168 551319780 /nfs/dbraw/zinc/31/97/80/551319780.db2.gz GPIWRZRCFOBUDM-BXUZGUMPSA-N 1 0 381.270 2.668 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+]C[C@@H]1CCCS1(=O)=O ZINC000126833071 551333145 /nfs/dbraw/zinc/33/31/45/551333145.db2.gz AZMLWGDJRQLYLB-INIZCTEOSA-N 1 0 398.326 2.610 20 0 GFADRO Cn1cc(NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)cc(Br)c1=O ZINC000127128947 551336919 /nfs/dbraw/zinc/33/69/19/551336919.db2.gz STZPCROCYJWGIS-GFCCVEGCSA-N 1 0 382.302 2.741 20 0 GFADRO COc1ccc(I)c(NC(=O)N2CC[C@H]([C@H](C)[NH3+])C2)c1 ZINC000415075529 563758834 /nfs/dbraw/zinc/75/88/34/563758834.db2.gz QRYVMZLEYNRMBN-UWVGGRQHSA-N 1 0 389.237 2.501 20 0 GFADRO O=C(Cc1ccccc1I)N1CCC([NH+]2CCCC2)CC1 ZINC000127730938 551344065 /nfs/dbraw/zinc/34/40/65/551344065.db2.gz HUEOPTHIWKGQNH-UHFFFAOYSA-N 1 0 398.288 2.921 20 0 GFADRO C[N@H+](CC(=O)N1CCO[C@H](c2cccc(Br)c2)C1)[C@@H]1CCSC1 ZINC000128263178 551348228 /nfs/dbraw/zinc/34/82/28/551348228.db2.gz GKGGJFJLAVUFFD-CVEARBPZSA-N 1 0 399.354 2.786 20 0 GFADRO Cc1nc(NC(=O)N2CCC([N@H+]3CCO[C@H](C)C3)CC2)ccc1Br ZINC000128565220 551350403 /nfs/dbraw/zinc/35/04/03/551350403.db2.gz PUWQENSUBOAYMI-GFCCVEGCSA-N 1 0 397.317 2.870 20 0 GFADRO Cc1nc(NC(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)ccc1Br ZINC000128558420 551350623 /nfs/dbraw/zinc/35/06/23/551350623.db2.gz MDVKSTCRWXPQKW-VXGBXAGGSA-N 1 0 385.306 2.773 20 0 GFADRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)Cc1cc(F)ccc1Br ZINC000129351080 551356541 /nfs/dbraw/zinc/35/65/41/551356541.db2.gz PWIQHRIGCXGUTD-OAHLLOKOSA-N 1 0 387.293 2.700 20 0 GFADRO O=C(NC[C@H]1CCC[NH2+]C1)[C@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 ZINC000129749377 551359725 /nfs/dbraw/zinc/35/97/25/551359725.db2.gz VVOQUSSYQNHLKE-BLLLJJGKSA-N 1 0 384.307 2.714 20 0 GFADRO C[NH+]1CCN(CCCSc2n[nH]c(-c3ccccc3Br)n2)CC1 ZINC000130017563 551361307 /nfs/dbraw/zinc/36/13/07/551361307.db2.gz LTSKKAHZSHWGCA-UHFFFAOYSA-N 1 0 396.358 2.964 20 0 GFADRO C[C@@H](Sc1nc2ccccc2s1)C(=O)NC[C@H](C)N1CC[NH+](C)CC1 ZINC000130566354 551366412 /nfs/dbraw/zinc/36/64/12/551366412.db2.gz ROTNYYLUESOURX-UONOGXRCSA-N 1 0 378.567 2.529 20 0 GFADRO NC(=O)[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc2c(cc1Br)OCCCO2 ZINC000131080426 551372022 /nfs/dbraw/zinc/37/20/22/551372022.db2.gz LSXLZSCDZHTJHW-OCCSQVGLSA-N 1 0 383.286 2.744 20 0 GFADRO O=C(CCc1ccc(Br)cc1)NCCCC[N@H+]1CCC[C@@H]1CO ZINC000131547551 551374808 /nfs/dbraw/zinc/37/48/08/551374808.db2.gz JFHXATSAWBLTLB-QGZVFWFLSA-N 1 0 383.330 2.735 20 0 GFADRO CCS(=O)(=O)NCCC[N@@H+]1CCC[C@H]1c1cccc(Br)c1 ZINC000131533379 551374981 /nfs/dbraw/zinc/37/49/81/551374981.db2.gz DIGOQRARCFTJJR-HNNXBMFYSA-N 1 0 375.332 2.915 20 0 GFADRO O[C@H](C[NH2+]Cc1cc(Br)ccc1OC(F)F)COCC1CC1 ZINC000131575265 551375523 /nfs/dbraw/zinc/37/55/23/551375523.db2.gz LQFMQKLEABPQSA-CYBMUJFWSA-N 1 0 380.229 2.928 20 0 GFADRO COCC[NH+]1CCC(NC(=O)CCCOc2ccccc2Br)CC1 ZINC000141386263 551394076 /nfs/dbraw/zinc/39/40/76/551394076.db2.gz CWJMWCXRNSJXSA-UHFFFAOYSA-N 1 0 399.329 2.835 20 0 GFADRO O=C(c1ccc(F)cc1I)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000141593328 551394335 /nfs/dbraw/zinc/39/43/35/551394335.db2.gz RMPFFGWYVVPHHM-GFCCVEGCSA-N 1 0 388.224 2.741 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)c1cc(S(C)(=O)=O)ccc1Cl)C1CCCCC1 ZINC000151142223 551408053 /nfs/dbraw/zinc/40/80/53/551408053.db2.gz LBAKUPDAYNAQSO-QGZVFWFLSA-N 1 0 386.945 2.984 20 0 GFADRO C[C@H](C[NH+]1C[C@@H](C)C[C@H](C)C1)NC(=O)c1cc(S(C)(=O)=O)ccc1Cl ZINC000151312510 551411515 /nfs/dbraw/zinc/41/15/15/551411515.db2.gz KUUYFZKHVCDBHD-MELADBBJSA-N 1 0 386.945 2.840 20 0 GFADRO CC[NH2+]CCNC(=O)c1ccccc1N(C)C(=O)c1ccc(Br)o1 ZINC000151387908 551412466 /nfs/dbraw/zinc/41/24/66/551412466.db2.gz PTIJQCHJHLZYJJ-UHFFFAOYSA-N 1 0 394.269 2.658 20 0 GFADRO NS(=O)(=O)c1ccc(CC[NH2+][C@@H]2CCc3c2cccc3Br)cc1 ZINC000151699558 551419497 /nfs/dbraw/zinc/41/94/97/551419497.db2.gz WTZWECNFYCQPGL-QGZVFWFLSA-N 1 0 395.322 2.916 20 0 GFADRO CC(=O)NCc1ccc(-c2nc(NC(=O)C[C@@H]3CCC[NH2+]3)sc2C)s1 ZINC000151928159 551423541 /nfs/dbraw/zinc/42/35/41/551423541.db2.gz PCUGNKJRWRSDHX-LBPRGKRZSA-N 1 0 378.523 2.897 20 0 GFADRO O=C(NCC[NH+]1CCCCCC1)c1ccc(Br)cc1-n1cncn1 ZINC000152145544 551426740 /nfs/dbraw/zinc/42/67/40/551426740.db2.gz XGOSMBZNRRFVID-UHFFFAOYSA-N 1 0 392.301 2.636 20 0 GFADRO C[N@H+](CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl)C1CCC(C)(C)CC1 ZINC000152174879 551428143 /nfs/dbraw/zinc/42/81/43/551428143.db2.gz DVBQFRXHFZJJOD-UHFFFAOYSA-N 1 0 387.933 2.827 20 0 GFADRO C[NH+](C)C[C@H]1CCCCN1C(=O)c1ccc(F)c(I)c1 ZINC000152383904 551432120 /nfs/dbraw/zinc/43/21/20/551432120.db2.gz PLSMUAJXTSYKLH-GFCCVEGCSA-N 1 0 390.240 2.987 20 0 GFADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](C)Cc1ccc(Br)cc1 ZINC000152527286 551434621 /nfs/dbraw/zinc/43/46/21/551434621.db2.gz WXTGFZSJMUZLBK-WMLDXEAASA-N 1 0 383.330 2.855 20 0 GFADRO C[NH+](C)C[C@](C)(O)CNC(=O)C1(c2ccc(Br)cc2)CCCC1 ZINC000152517838 551434715 /nfs/dbraw/zinc/43/47/15/551434715.db2.gz BBXIOHXWACHBBM-QGZVFWFLSA-N 1 0 383.330 2.690 20 0 GFADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H](C)Cc1ccc(Br)cc1 ZINC000152527194 551435022 /nfs/dbraw/zinc/43/50/22/551435022.db2.gz WXTGFZSJMUZLBK-PBHICJAKSA-N 1 0 383.330 2.855 20 0 GFADRO C[C@@H](C(=O)NC(=O)NC1CC1)[N@H+](C)CC1(c2ccc(Br)cc2)CC1 ZINC000152610828 551436436 /nfs/dbraw/zinc/43/64/36/551436436.db2.gz GCIUSIAAZCFNKC-LBPRGKRZSA-N 1 0 394.313 2.789 20 0 GFADRO C[C@@H](O)C[C@@H]1CCCN1CC(=O)Nc1c(F)cc(F)cc1Br ZINC000152759122 551439067 /nfs/dbraw/zinc/43/90/67/551439067.db2.gz VJQUMQNNWDWJGV-KOLCDFICSA-N 1 0 377.229 2.901 20 0 GFADRO C[C@H]1CCC[N@@H+]1C1CCN(C(=O)c2sccc2S(=O)(=O)C(F)F)CC1 ZINC000152800923 551440281 /nfs/dbraw/zinc/44/02/81/551440281.db2.gz RWCNAYKDGMXKPW-NSHDSACASA-N 1 0 392.493 2.833 20 0 GFADRO O=C(NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1cc(Br)ccc1O ZINC000152927152 551443198 /nfs/dbraw/zinc/44/31/98/551443198.db2.gz PNKXNYFTVAFRFY-RDJZCZTQSA-N 1 0 397.313 2.652 20 0 GFADRO CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)Nc1cc(C)ccc1Br ZINC000153148414 551447105 /nfs/dbraw/zinc/44/71/05/551447105.db2.gz ATGZUAMFUJWAAO-ZDUSSCGKSA-N 1 0 382.302 2.687 20 0 GFADRO NC(=O)C1(C[NH2+][C@H]2CCCOc3c(Br)cccc32)CCOCC1 ZINC000153142723 551447331 /nfs/dbraw/zinc/44/73/31/551447331.db2.gz DWPZATUZMKCKMH-AWEZNQCLSA-N 1 0 383.286 2.535 20 0 GFADRO O=C(c1c(F)cccc1I)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000153391094 551451598 /nfs/dbraw/zinc/45/15/98/551451598.db2.gz KPAXTVUBIJCBJJ-LLVKDONJSA-N 1 0 388.224 2.741 20 0 GFADRO COC(=O)c1cc(Br)ccc1NC(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000153558170 551455613 /nfs/dbraw/zinc/45/56/13/551455613.db2.gz PHWFOEXQYFLONP-ZDUSSCGKSA-N 1 0 396.285 2.938 20 0 GFADRO CCC[NH+]1CCC(NC(=O)C(=O)Nc2cc(C)ccc2Br)CC1 ZINC000153580179 551456020 /nfs/dbraw/zinc/45/60/20/551456020.db2.gz GKDHPHJLWMMOCG-UHFFFAOYSA-N 1 0 382.302 2.687 20 0 GFADRO Cc1c(C(=O)N2C[C@H](C)[NH2+][C@@H](C)C2)cnn1-c1ccc(Br)cc1 ZINC000153639228 551456992 /nfs/dbraw/zinc/45/69/92/551456992.db2.gz KYYNLVSEKCTZBL-RYUDHWBXSA-N 1 0 377.286 2.766 20 0 GFADRO C[C@@H]1CN(C(=O)c2nn(-c3ccc(F)cc3)cc2Br)C[C@@H](C)[NH2+]1 ZINC000153976125 551464641 /nfs/dbraw/zinc/46/46/41/551464641.db2.gz GOCVLSVHIIIJNE-GHMZBOCLSA-N 1 0 381.249 2.596 20 0 GFADRO C[C@@H](CNC(=O)c1cc(F)c(F)cc1I)[N@H+](C)C1CC1 ZINC000154103263 551467577 /nfs/dbraw/zinc/46/75/77/551467577.db2.gz GYMCPKKWRZMSPD-QMMMGPOBSA-N 1 0 394.203 2.782 20 0 GFADRO CC(C)(C)c1nc2ccc(S(=O)(=O)N3CC[C@@]4(CC[NH2+]C4)C3)cc2s1 ZINC000154340290 551473042 /nfs/dbraw/zinc/47/30/42/551473042.db2.gz JMPDABYEPVIPMP-GOSISDBHSA-N 1 0 379.551 2.968 20 0 GFADRO CC(C)(C)c1nc2ccc(S(=O)(=O)N3CC[C@]4(CC[NH2+]C4)C3)cc2s1 ZINC000154340187 551473060 /nfs/dbraw/zinc/47/30/60/551473060.db2.gz JMPDABYEPVIPMP-SFHVURJKSA-N 1 0 379.551 2.968 20 0 GFADRO COc1ccsc1S(=O)(=O)N1CCCN(Cc2ccc(F)cc2)CC1 ZINC000154372111 551473270 /nfs/dbraw/zinc/47/32/70/551473270.db2.gz FAGBCMOTCOOSPX-UHFFFAOYSA-N 1 0 384.498 2.792 20 0 GFADRO C[C@H](CNC(=O)[C@@H](C)Cc1ccc(Br)cc1)C[NH+]1CCN(C)CC1 ZINC000154726803 551481877 /nfs/dbraw/zinc/48/18/77/551481877.db2.gz YXGSGOFQBNETAW-CVEARBPZSA-N 1 0 396.373 2.627 20 0 GFADRO C[C@@H]1C[N@@H+](C)C[C@H](C)N1C(=O)c1ccc(F)c(I)c1 ZINC000155242478 551495407 /nfs/dbraw/zinc/49/54/07/551495407.db2.gz SHJMRFJKQIWHOP-AOOOYVTPSA-N 1 0 376.213 2.595 20 0 GFADRO CSC[C@](C)(O)CNC(=O)NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000155288684 551496511 /nfs/dbraw/zinc/49/65/11/551496511.db2.gz CIJRXVAEXANOQT-MAUKXSAKSA-N 1 0 385.599 2.934 20 0 GFADRO C[N@H+](CCNC(=O)Cc1cccc(I)c1)C1CCCC1 ZINC000155531747 551502025 /nfs/dbraw/zinc/50/20/25/551502025.db2.gz SZAYPSIYVVWEGZ-UHFFFAOYSA-N 1 0 386.277 2.824 20 0 GFADRO C[C@H](Cc1ccc(Br)cc1)C(=O)NCCC[NH+]1CCC(O)CC1 ZINC000155657314 551505372 /nfs/dbraw/zinc/50/53/72/551505372.db2.gz VKLZWGLNQWFREA-CQSZACIVSA-N 1 0 383.330 2.591 20 0 GFADRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)Nc1cc(Br)cnc1OCC(F)(F)F ZINC000415179406 563761944 /nfs/dbraw/zinc/76/19/44/563761944.db2.gz URBNJXQTMGDAKB-CBAPKCEASA-N 1 0 397.195 2.739 20 0 GFADRO CCS(=O)(=O)c1ccc(Cl)c(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c1 ZINC000155728698 551506540 /nfs/dbraw/zinc/50/65/40/551506540.db2.gz DAXDYJMXXOEUKJ-GUYCJALGSA-N 1 0 384.929 2.690 20 0 GFADRO O=C(CC[NH+]1CCC(Cn2ccnn2)CC1)Nc1cccc(Br)c1 ZINC000155788506 551507803 /nfs/dbraw/zinc/50/78/03/551507803.db2.gz VALLUPFDMJBQGT-UHFFFAOYSA-N 1 0 392.301 2.781 20 0 GFADRO CC[C@H](C(=O)N[C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1)[NH+](C)C ZINC000155839263 551509048 /nfs/dbraw/zinc/50/90/48/551509048.db2.gz COBXGZWBRBFKGS-DGCLKSJQSA-N 1 0 378.826 2.789 20 0 GFADRO O=C(Nc1ccc(Cl)c(Br)c1)C(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000155888929 551510584 /nfs/dbraw/zinc/51/05/84/551510584.db2.gz IWRHMHJXQRYXNR-GFCCVEGCSA-N 1 0 398.688 2.514 20 0 GFADRO Cn1cc(NC(=O)NCCCCC[NH+]2CCCCC2)cc(Br)c1=O ZINC000156205479 551517025 /nfs/dbraw/zinc/51/70/25/551517025.db2.gz ZNFSFOGQHYCMTH-UHFFFAOYSA-N 1 0 399.333 2.926 20 0 GFADRO Cc1cccc(S(=O)(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)c1Br ZINC000156333599 551520754 /nfs/dbraw/zinc/52/07/54/551520754.db2.gz IPPDHYBFXYMTLA-AWEZNQCLSA-N 1 0 387.343 2.864 20 0 GFADRO Cc1cccc(S(=O)(=O)N2CCN(C)c3cc[nH+]cc32)c1Br ZINC000156577194 551525120 /nfs/dbraw/zinc/52/51/20/551525120.db2.gz KUDDJJNVDGRBIC-UHFFFAOYSA-N 1 0 382.283 2.798 20 0 GFADRO CCOCCOc1ccc(Br)cc1CN1CCC(C(N)=O)CC1 ZINC000158627273 551554377 /nfs/dbraw/zinc/55/43/77/551554377.db2.gz VLZPGWGCJUAAJH-UHFFFAOYSA-N 1 0 385.302 2.562 20 0 GFADRO O=C(NCC1CC[NH2+]CC1)c1cc(Br)ccc1Br ZINC000160930485 551587869 /nfs/dbraw/zinc/58/78/69/551587869.db2.gz UBUDJRVARHCILX-UHFFFAOYSA-N 1 0 376.092 2.941 20 0 GFADRO C[NH2+]C[C@H]1CCN(C(=O)c2cc(Br)ccc2Br)C1 ZINC000160944151 551588188 /nfs/dbraw/zinc/58/81/88/551588188.db2.gz KVXDHQYJJMTKKY-SECBINFHSA-N 1 0 376.092 2.893 20 0 GFADRO O=C(Nc1cc(Cl)ccc1Br)C(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000161710820 551597875 /nfs/dbraw/zinc/59/78/75/551597875.db2.gz NJIWKLSXWJRNQZ-GFCCVEGCSA-N 1 0 398.688 2.514 20 0 GFADRO CSCC[C@H]([NH3+])C(=O)Nc1ccc(CCn2cc(Br)cn2)cc1 ZINC000161799651 551598961 /nfs/dbraw/zinc/59/89/61/551598961.db2.gz KXNGAJRJZGWZDD-HNNXBMFYSA-N 1 0 397.342 2.907 20 0 GFADRO Cc1c(C(=O)N[C@H]2CCC[C@H]([NH3+])C2)cnn1-c1ccc(Br)cc1 ZINC000161968298 551601163 /nfs/dbraw/zinc/60/11/63/551601163.db2.gz OBYFUYQPCUQJNN-KBPBESRZSA-N 1 0 377.286 2.943 20 0 GFADRO [NH3+][C@H]1CCC[C@@H](NC(=O)c2nn(-c3ccc(F)cc3)cc2Br)C1 ZINC000162282248 551606126 /nfs/dbraw/zinc/60/61/26/551606126.db2.gz SKXOXCRRFMIJLD-NWDGAFQWSA-N 1 0 381.249 2.774 20 0 GFADRO CS(=O)(=O)c1cc(C(=O)NC[C@@H]2CCC[N@@H+]2CC2CCCCC2)cs1 ZINC000162380325 551608099 /nfs/dbraw/zinc/60/80/99/551608099.db2.gz HXIKDXMDSXBNSL-INIZCTEOSA-N 1 0 384.567 2.926 20 0 GFADRO COc1ccc(Br)cc1C(=O)CCC(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000162436403 551608294 /nfs/dbraw/zinc/60/82/94/551608294.db2.gz GQSGRTXPHKASOH-QWHCGFSZSA-N 1 0 383.286 2.807 20 0 GFADRO C[C@@H]([NH2+]C[C@H](O)COc1ccc(Cl)cc1Br)[C@@H]1CCOC1 ZINC000162657125 551610972 /nfs/dbraw/zinc/61/09/72/551610972.db2.gz JLGGESJMQZAAHC-WZRBSPASSA-N 1 0 378.694 2.857 20 0 GFADRO C[NH+](C)CCN(Cc1cccs1)C(=O)N[C@H]1CCO[C@@]2(CCSC2)C1 ZINC000163304749 551618449 /nfs/dbraw/zinc/61/84/49/551618449.db2.gz ZTGLFMZTVCOZSK-YJBOKZPZSA-N 1 0 383.583 2.876 20 0 GFADRO C[C@@H](CCNC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)[S@@](C)=O ZINC000166623409 551632565 /nfs/dbraw/zinc/63/25/65/551632565.db2.gz AKBPTCIGOUSBEV-SXBQZSJRSA-N 1 0 385.961 2.761 20 0 GFADRO CC[C@@H](C)[N@H+](C)CCNC(=O)Cc1cc2c(cc1Br)OCCO2 ZINC000170741221 551638542 /nfs/dbraw/zinc/63/85/42/551638542.db2.gz NLKHLUHKZLTAHM-GFCCVEGCSA-N 1 0 385.302 2.609 20 0 GFADRO O=C(CN1CC[C@@H]([NH+]2CCCC2)C1)Nc1c(F)cc(F)cc1Br ZINC000170744384 551638606 /nfs/dbraw/zinc/63/86/06/551638606.db2.gz CILBAXYNRGEPFC-GFCCVEGCSA-N 1 0 388.256 2.836 20 0 GFADRO CC[N@H+](CCNC(=O)NCCC(=O)Nc1ccc(Br)cc1)C1CC1 ZINC000171162232 551648698 /nfs/dbraw/zinc/64/86/98/551648698.db2.gz DGLYEJGHTJKGAK-UHFFFAOYSA-N 1 0 397.317 2.561 20 0 GFADRO Cc1c(Br)cccc1NC(=O)C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000171218664 551650466 /nfs/dbraw/zinc/65/04/66/551650466.db2.gz IZJQNOUNXXCROW-UHFFFAOYSA-N 1 0 382.302 2.685 20 0 GFADRO CC(C)[NH+](CCNS(=O)(=O)c1cc2c(cc1Cl)OCCO2)C(C)C ZINC000171241784 551650743 /nfs/dbraw/zinc/65/07/43/551650743.db2.gz SVABNZAEQKAONF-UHFFFAOYSA-N 1 0 376.906 2.508 20 0 GFADRO O=S(=O)(NC1CC[NH+](CC2CC2)CC1)c1cc(C(F)(F)F)ccc1F ZINC000171420846 551654964 /nfs/dbraw/zinc/65/49/64/551654964.db2.gz ZRKSRDVPGSHCMM-UHFFFAOYSA-N 1 0 380.407 2.997 20 0 GFADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)NCc2ccc(Br)cc2)C1 ZINC000171702404 551661262 /nfs/dbraw/zinc/66/12/62/551661262.db2.gz IFTGARYQRSCJOU-MRXNPFEDSA-N 1 0 384.318 2.605 20 0 GFADRO O=C(CCC[S@@](=O)c1ccc(Br)cc1)NCC[NH+]1CCCC1 ZINC000172269355 551674827 /nfs/dbraw/zinc/67/48/27/551674827.db2.gz OLNNAZLTJMBHEI-JOCHJYFZSA-N 1 0 387.343 2.549 20 0 GFADRO CC(C)(C(=O)NCCC[NH+]1CCC(O)CC1)c1ccc(Br)cc1 ZINC000172344513 551677170 /nfs/dbraw/zinc/67/71/70/551677170.db2.gz XHLPOJREQJWHOQ-UHFFFAOYSA-N 1 0 383.330 2.690 20 0 GFADRO O=C(c1cc(Br)ccc1F)N1CC[NH+](CC2CCOCC2)CC1 ZINC000172460719 551679578 /nfs/dbraw/zinc/67/95/78/551679578.db2.gz BAQWJLVYEZJFKX-UHFFFAOYSA-N 1 0 385.277 2.773 20 0 GFADRO O=C(Cc1ccccc1Br)N1CC[NH+](CC2CCOCC2)CC1 ZINC000172460166 551679582 /nfs/dbraw/zinc/67/95/82/551679582.db2.gz LTVPEYFARCYGDI-UHFFFAOYSA-N 1 0 381.314 2.562 20 0 GFADRO CSCC[C@@H]1NC(=S)N(C[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)C1=O ZINC000172842530 551687462 /nfs/dbraw/zinc/68/74/62/551687462.db2.gz YAOKKNMDYURHBQ-VNHYZAJKSA-N 1 0 383.608 2.969 20 0 GFADRO C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)Cc1ccc(Br)s1 ZINC000173105115 551696004 /nfs/dbraw/zinc/69/60/04/551696004.db2.gz QJISTSVKHNTAFC-UHFFFAOYSA-N 1 0 396.310 2.852 20 0 GFADRO Cc1cc(NC(=O)C(=O)N(C)CC[C@H]([NH3+])C(C)C)cc(C)c1Br ZINC000415498632 563779415 /nfs/dbraw/zinc/77/94/15/563779415.db2.gz ISIAUTZEJNKNLB-AWEZNQCLSA-N 1 0 384.318 2.836 20 0 GFADRO COc1cc(I)ccc1NC(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000415770648 563795645 /nfs/dbraw/zinc/79/56/45/563795645.db2.gz GUTRLFKJPBZQOU-MNOVXSKESA-N 1 0 389.237 2.691 20 0 GFADRO C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)C(=O)Nc1ccccc1Br)C2 ZINC000173454480 552085503 /nfs/dbraw/zinc/08/55/03/552085503.db2.gz ZKWGXEPXVRNROH-YHWZYXNKSA-N 1 0 380.286 2.519 20 0 GFADRO COc1cc(C[NH2+]Cc2ccc(Br)c(C)c2)ccc1OCC(N)=O ZINC000173569059 552088147 /nfs/dbraw/zinc/08/81/47/552088147.db2.gz UIPFIVIUYOQMGA-UHFFFAOYSA-N 1 0 393.281 2.920 20 0 GFADRO O=C(COc1cc(Cl)cc(Cl)c1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000173604199 552088917 /nfs/dbraw/zinc/08/89/17/552088917.db2.gz MHHANQXQDUHCNT-UHFFFAOYSA-N 1 0 387.307 2.943 20 0 GFADRO COCCC[N@H+](C)CCNC(=O)N[C@@H]1CCc2c1cccc2Br ZINC000173582058 552089006 /nfs/dbraw/zinc/08/90/06/552089006.db2.gz GHSQOOPNFAVJAU-MRXNPFEDSA-N 1 0 384.318 2.704 20 0 GFADRO CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2cccc(Br)c2C)C1 ZINC000173651416 552090383 /nfs/dbraw/zinc/09/03/83/552090383.db2.gz ISVPEBGTORNPQT-CQSZACIVSA-N 1 0 396.329 2.886 20 0 GFADRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)NCc1cc(Br)cs1 ZINC000174034553 552097360 /nfs/dbraw/zinc/09/73/60/552097360.db2.gz BZIYJIOOKYEAJD-ZDUSSCGKSA-N 1 0 390.347 2.763 20 0 GFADRO Cc1cc(N2CC[C@@H]([NH2+][C@H]3CCc4c3cccc4Br)C2=O)n(C)n1 ZINC000174049073 552097729 /nfs/dbraw/zinc/09/77/29/552097729.db2.gz DXQIPQVJRXJAHM-JKSUJKDBSA-N 1 0 389.297 2.873 20 0 GFADRO COCCOC[C@H]1CC[N@H+](C[C@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000174112419 552099499 /nfs/dbraw/zinc/09/94/99/552099499.db2.gz ADYPMZBIDKXSJZ-ZFWWWQNUSA-N 1 0 378.296 2.718 20 0 GFADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccc(I)c(F)c2)C1 ZINC000174502906 552105755 /nfs/dbraw/zinc/10/57/55/552105755.db2.gz MFISPZQWBZESDS-NSHDSACASA-N 1 0 390.240 2.844 20 0 GFADRO Cc1ccc(I)c(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000174665245 552108106 /nfs/dbraw/zinc/10/81/06/552108106.db2.gz FMCRRZMWOGSKQD-OLZOCXBDSA-N 1 0 384.261 2.908 20 0 GFADRO Cc1csc(C2([NH2+]CCOc3ccc(S(N)(=O)=O)cc3)CCCC2)n1 ZINC000175020063 552114147 /nfs/dbraw/zinc/11/41/47/552114147.db2.gz ORYNBLSGBRJUGD-UHFFFAOYSA-N 1 0 381.523 2.537 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@H](NS(=O)(=O)c2ccc(F)c(Br)c2)C1 ZINC000175080153 552115318 /nfs/dbraw/zinc/11/53/18/552115318.db2.gz MMHZLGQSRACJNP-WDEREUQCSA-N 1 0 379.295 2.739 20 0 GFADRO O=C(CCN1CC[NH+](C2CCOCC2)CC1)Nc1ccc(Br)cc1 ZINC000175495436 552123387 /nfs/dbraw/zinc/12/33/87/552123387.db2.gz SNYJASDIYQZIKX-UHFFFAOYSA-N 1 0 396.329 2.574 20 0 GFADRO O[C@H](COc1c(Cl)cccc1Cl)CN1CC[NH+](C2CCOCC2)CC1 ZINC000175492318 552123524 /nfs/dbraw/zinc/12/35/24/552123524.db2.gz ACDBVWBKQKTPBR-HNNXBMFYSA-N 1 0 389.323 2.530 20 0 GFADRO CSc1ncc(Cl)c(C(=O)NC2CC[NH+](Cc3cccnc3)CC2)n1 ZINC000175673315 552126805 /nfs/dbraw/zinc/12/68/05/552126805.db2.gz GSNKPZMWCHKLLO-UHFFFAOYSA-N 1 0 377.901 2.641 20 0 GFADRO CCOc1c(Br)cc(C[NH2+][C@@](C)(CCO)COC)cc1OC ZINC000175856682 552130200 /nfs/dbraw/zinc/13/02/00/552130200.db2.gz BODCBRVQTGCQTB-INIZCTEOSA-N 1 0 376.291 2.734 20 0 GFADRO O=C([C@H]1C[C@H]1c1cccc(Br)c1)N1CC[NH+](C2CCOCC2)CC1 ZINC000175863164 552130418 /nfs/dbraw/zinc/13/04/18/552130418.db2.gz RZZJCJPWOABDNR-ROUUACIJSA-N 1 0 393.325 2.876 20 0 GFADRO CN(Cc1cc(Br)cn1C)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000176832493 552146967 /nfs/dbraw/zinc/14/69/67/552146967.db2.gz KYJFIHWXWGTXNJ-UHFFFAOYSA-N 1 0 383.334 2.803 20 0 GFADRO C[N@H+](CCC(=O)NC(=O)NCC(F)(F)F)Cc1ccc(Br)cc1 ZINC000176984964 552149090 /nfs/dbraw/zinc/14/90/90/552149090.db2.gz IBPMZOHXHHARCV-UHFFFAOYSA-N 1 0 396.207 2.659 20 0 GFADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)NCc2ccc(OC)c(Br)c2)C1 ZINC000177869198 552160283 /nfs/dbraw/zinc/16/02/83/552160283.db2.gz CRRPEHYOVGTRFL-AWEZNQCLSA-N 1 0 384.318 2.941 20 0 GFADRO C[C@@H](CNC(=O)N[C@H](CO)c1cccc(Br)c1)C[NH+]1CCCCC1 ZINC000177977318 552162208 /nfs/dbraw/zinc/16/22/08/552162208.db2.gz AXHBJJNWXLVDJD-WMLDXEAASA-N 1 0 398.345 2.904 20 0 GFADRO Cc1c(Br)cccc1NC(=O)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000178029289 552162672 /nfs/dbraw/zinc/16/26/72/552162672.db2.gz NPUCBULRPBUZKE-CHWSQXEVSA-N 1 0 382.302 2.685 20 0 GFADRO O=C(NCCC[NH+]1CCCC1)C(=O)Nc1cc(Cl)ccc1Br ZINC000178115653 552164569 /nfs/dbraw/zinc/16/45/69/552164569.db2.gz ISRNBCDIJCAKLX-UHFFFAOYSA-N 1 0 388.693 2.643 20 0 GFADRO O=S(=O)(C[C@@H]1CCCO1)N(CC[NH+]1CCCC1)Cc1ccc(Cl)cc1 ZINC000178370310 552169609 /nfs/dbraw/zinc/16/96/09/552169609.db2.gz FIXUTNPQZMDSJT-SFHVURJKSA-N 1 0 386.945 2.747 20 0 GFADRO O=S(=O)(C[C@H]1CCCO1)N(CC[NH+]1CCCC1)Cc1ccc(Cl)cc1 ZINC000178370323 552169799 /nfs/dbraw/zinc/16/97/99/552169799.db2.gz FIXUTNPQZMDSJT-GOSISDBHSA-N 1 0 386.945 2.747 20 0 GFADRO Cc1ccsc1[C@H](C)[NH2+]Cc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000178347616 552169862 /nfs/dbraw/zinc/16/98/62/552169862.db2.gz MOYZQHNFYQYSPL-HNNXBMFYSA-N 1 0 380.535 2.928 20 0 GFADRO COC(=O)c1ccc(Cl)cc1S(=O)(=O)NCCC[N@@H+]1CCCC[C@@H]1C ZINC000178498668 552171242 /nfs/dbraw/zinc/17/12/42/552171242.db2.gz YDIAGXKRLRYZFK-ZDUSSCGKSA-N 1 0 388.917 2.669 20 0 GFADRO O=C(NCC[C@H]1CC[NH2+]C1)[C@@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1 ZINC000178955979 552180320 /nfs/dbraw/zinc/18/03/20/552180320.db2.gz GGJWMRXEDFLRLO-WBMJQRKESA-N 1 0 384.307 2.714 20 0 GFADRO O[C@@]1(C[NH2+]Cc2cc(Br)ccc2OCc2ccccn2)CCOC1 ZINC000179020691 552182215 /nfs/dbraw/zinc/18/22/15/552182215.db2.gz JHJBGPRLBATCKX-GOSISDBHSA-N 1 0 393.281 2.664 20 0 GFADRO CN(C(=O)c1ccc(NC(=O)CSc2cccs2)cc1)[C@@H]1CC[NH2+]C1 ZINC000179063457 552183393 /nfs/dbraw/zinc/18/33/93/552183393.db2.gz UXBKRMUWLABAQD-OAHLLOKOSA-N 1 0 375.519 2.913 20 0 GFADRO C[C@H](NCc1ccc(N2CC[NH+](C)CC2)nc1)c1ncc(Br)s1 ZINC000179200189 552186745 /nfs/dbraw/zinc/18/67/45/552186745.db2.gz DUBCMRORLUUZIO-LBPRGKRZSA-N 1 0 396.358 2.903 20 0 GFADRO O[C@@H](C[NH2+]Cc1cccc2nccn21)COc1ccccc1Br ZINC000179429742 552192694 /nfs/dbraw/zinc/19/26/94/552192694.db2.gz ZDKMRCASFRXBAT-AWEZNQCLSA-N 1 0 376.254 2.626 20 0 GFADRO O=C(c1ccncc1I)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000179421292 552192833 /nfs/dbraw/zinc/19/28/33/552192833.db2.gz FPHXJVLQOZXSDW-UHFFFAOYSA-N 1 0 399.276 2.777 20 0 GFADRO C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000179435029 552193640 /nfs/dbraw/zinc/19/36/40/552193640.db2.gz JAZBJTLLPBRCSA-JSGCOSHPSA-N 1 0 377.286 2.721 20 0 GFADRO COc1cc(Br)c(C[N@H+](C)C[C@@H]2CCN(C(C)=O)C2)cc1OC ZINC000179450904 552193976 /nfs/dbraw/zinc/19/39/76/552193976.db2.gz MBQMDBZDZNIJJT-ZDUSSCGKSA-N 1 0 385.302 2.767 20 0 GFADRO Cc1nc(Br)ccc1NC(=O)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000179720422 552201491 /nfs/dbraw/zinc/20/14/91/552201491.db2.gz UQAARXAUCKTBOY-ZDUSSCGKSA-N 1 0 399.333 2.574 20 0 GFADRO C[N@H+](CCCO)C1CCN(C(=O)c2cc3ccc(Br)cc3[nH]2)CC1 ZINC000179753063 552201948 /nfs/dbraw/zinc/20/19/48/552201948.db2.gz LNJMWBRBIZZHFT-UHFFFAOYSA-N 1 0 394.313 2.849 20 0 GFADRO Cc1nc(Br)ccc1NC(=O)C(=O)NCCC[NH+](C(C)C)C(C)C ZINC000179817934 552203978 /nfs/dbraw/zinc/20/39/78/552203978.db2.gz NIWPLEDUBYWAGK-UHFFFAOYSA-N 1 0 399.333 2.716 20 0 GFADRO O=C(C[C@@H](O)c1cc(Cl)cc(Cl)c1)N1CCC[C@@H]1CN1CCOCC1 ZINC000180065093 552211601 /nfs/dbraw/zinc/21/16/01/552211601.db2.gz LBDGUEFZPVUIIF-IAGOWNOFSA-N 1 0 387.307 2.740 20 0 GFADRO CCn1ccnc1[C@@H](NCCCO)c1ccc(I)cc1 ZINC000180156377 552215336 /nfs/dbraw/zinc/21/53/36/552215336.db2.gz HGVAKWWAGYMWSL-AWEZNQCLSA-N 1 0 385.249 2.569 20 0 GFADRO C[N@@H+]1CC[C@H](NC(=O)c2cc(I)c[nH]2)[C@@H]1c1ccccc1 ZINC000180178944 552215937 /nfs/dbraw/zinc/21/59/37/552215937.db2.gz CSYPGVQDEMSGRC-ZFWWWQNUSA-N 1 0 395.244 2.795 20 0 GFADRO C[C@@H]([NH2+]CCOc1ncc(Cl)cc1Cl)c1ccc(S(N)(=O)=O)cc1 ZINC000180190905 552216808 /nfs/dbraw/zinc/21/68/08/552216808.db2.gz FJQFVOAYEASVHK-SNVBAGLBSA-N 1 0 390.292 2.765 20 0 GFADRO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)c1ccc(Br)cn1 ZINC000180206307 552217514 /nfs/dbraw/zinc/21/75/14/552217514.db2.gz AALOPZKPDMCBFL-UHFFFAOYSA-N 1 0 375.270 2.886 20 0 GFADRO C[N@H+](CCCO)C1CCN(C(=O)C[C@H](O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000180241643 552219067 /nfs/dbraw/zinc/21/90/67/552219067.db2.gz LZQOIDJBYXMOSD-KRWDZBQOSA-N 1 0 389.323 2.722 20 0 GFADRO CC(C)(COc1ncccc1Br)[NH2+]CC(=O)NCc1ccco1 ZINC000180396730 552224953 /nfs/dbraw/zinc/22/49/53/552224953.db2.gz AKXITPYORSIFHL-UHFFFAOYSA-N 1 0 382.258 2.501 20 0 GFADRO C[NH+]1CCC(NS(=O)(=O)Cc2ccc(Cl)cc2Br)CC1 ZINC000180547380 552229712 /nfs/dbraw/zinc/22/97/12/552229712.db2.gz DWIMSSGGDVVBQW-UHFFFAOYSA-N 1 0 381.723 2.616 20 0 GFADRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+]CCc2nc3c(s2)CCCC3)cc1 ZINC000180839055 552237151 /nfs/dbraw/zinc/23/71/51/552237151.db2.gz UESRTJJPYOSIBN-ZDUSSCGKSA-N 1 0 379.551 2.823 20 0 GFADRO CC(C)CS(=O)(=O)N1CCC([NH2+]Cc2ccccc2Br)CC1 ZINC000181118520 552247386 /nfs/dbraw/zinc/24/73/86/552247386.db2.gz DUVLTUQHHGEFFS-UHFFFAOYSA-N 1 0 389.359 2.989 20 0 GFADRO C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@@H]1CC(=O)N(C2CC2)C1 ZINC000181218868 552250105 /nfs/dbraw/zinc/25/01/05/552250105.db2.gz UECXJLJGPXRBFU-SMDDNHRTSA-N 1 0 380.286 2.519 20 0 GFADRO CC1(CNC(=O)[C@@H]2CC(=O)N(c3cc(Cl)cc(Cl)c3)C2)CC[NH2+]CC1 ZINC000181284308 552252304 /nfs/dbraw/zinc/25/23/04/552252304.db2.gz UCWVNMYHRYFVQJ-GFCCVEGCSA-N 1 0 384.307 2.852 20 0 GFADRO COC(=O)[C@H](c1ccc(Cl)c(Cl)c1)N(C)CCC[NH+]1CCN(C)CC1 ZINC000181374114 552254508 /nfs/dbraw/zinc/25/45/08/552254508.db2.gz AOJOHOWWZUFFDS-KRWDZBQOSA-N 1 0 388.339 2.777 20 0 GFADRO Cn1ncc2c1CCC[C@@H]2[NH2+]C[C@@H](O)COc1ccccc1Br ZINC000181360230 552254629 /nfs/dbraw/zinc/25/46/29/552254629.db2.gz LUSQTYWAVJMXOT-DOMZBBRYSA-N 1 0 380.286 2.590 20 0 GFADRO C[C@@H]1CCC[C@@H](CO)[N@@H+]1CC(=O)N(C)Cc1cc(Br)cs1 ZINC000181402153 552256059 /nfs/dbraw/zinc/25/60/59/552256059.db2.gz JWRZARNOUPUJSN-YPMHNXCESA-N 1 0 375.332 2.704 20 0 GFADRO Cc1ccc(S(=O)(=O)NCC[NH2+][C@@H]2CSCCc3ccccc32)s1 ZINC000181512277 552259060 /nfs/dbraw/zinc/25/90/60/552259060.db2.gz LWKYOIWOTNBXSL-MRXNPFEDSA-N 1 0 382.576 2.955 20 0 GFADRO Cc1ccc(S(=O)(=O)NCC[NH2+][C@@H](C)c2ccc(F)cc2N(C)C)s1 ZINC000181511060 552259082 /nfs/dbraw/zinc/25/90/82/552259082.db2.gz LFYTWWLUAHRDIX-ZDUSSCGKSA-N 1 0 385.530 2.891 20 0 GFADRO Cc1ccc2c(c1)OCCC[C@@H]2[NH2+]C[C@H](O)CS(=O)(=O)c1cccs1 ZINC000181639261 552263476 /nfs/dbraw/zinc/26/34/76/552263476.db2.gz XVRFIFIFPPNKIZ-HOCLYGCPSA-N 1 0 381.519 2.695 20 0 GFADRO COc1ccc([C@H](C)[NH2+][C@@H](C(=O)N2CCOCC2)C(C)C)c(Br)c1 ZINC000181870828 552269816 /nfs/dbraw/zinc/26/98/16/552269816.db2.gz NCBMHCIXTKHMRK-SUMWQHHRSA-N 1 0 399.329 2.992 20 0 GFADRO C[C@@H]([NH2+]CCOCCS(C)(=O)=O)c1cc2cc(Br)ccc2o1 ZINC000181991703 552272182 /nfs/dbraw/zinc/27/21/82/552272182.db2.gz BKOXUEIVCMVHSV-LLVKDONJSA-N 1 0 390.299 2.907 20 0 GFADRO CC[N@H+](CCCc1ccc(Br)cc1OC)[C@H]1CCS(=O)(=O)C1 ZINC000182049517 552273910 /nfs/dbraw/zinc/27/39/10/552273910.db2.gz UFNOYEDDCJOVTA-HNNXBMFYSA-N 1 0 390.343 2.899 20 0 GFADRO Cc1ccc(S(=O)(=O)NCC[NH2+][C@H]2CCCOc3cc(F)ccc32)s1 ZINC000182159445 552277008 /nfs/dbraw/zinc/27/70/08/552277008.db2.gz BTYFTKMBPPKFAM-HNNXBMFYSA-N 1 0 384.498 2.977 20 0 GFADRO CCOC(=O)COc1c(Br)cc(C)cc1C[N@H+](C)CC[C@H](C)O ZINC000182193991 552277443 /nfs/dbraw/zinc/27/74/43/552277443.db2.gz JGTGYLPGOFHQBU-ZDUSSCGKSA-N 1 0 388.302 2.902 20 0 GFADRO COCCC[NH+]1CCC(NC(=O)Nc2cnc(Br)c(C)c2)CC1 ZINC000182416485 552283015 /nfs/dbraw/zinc/28/30/15/552283015.db2.gz WRRDCTLBWYYBTF-UHFFFAOYSA-N 1 0 385.306 2.775 20 0 GFADRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)NCCOc2cccc(Br)c2)C1 ZINC000182437773 552284229 /nfs/dbraw/zinc/28/42/29/552284229.db2.gz FVHZXVOQGMCNEP-RHSMWYFYSA-N 1 0 396.329 2.954 20 0 GFADRO COCCC[N@H+](C)CCNC(=O)Nc1cc(F)c(Br)c(F)c1 ZINC000182498210 552285703 /nfs/dbraw/zinc/28/57/03/552285703.db2.gz DDGANLJZSZJEPG-UHFFFAOYSA-N 1 0 380.233 2.817 20 0 GFADRO CCS(=O)(=O)C[C@@H](C)[NH2+]C[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000182624574 552288820 /nfs/dbraw/zinc/28/88/20/552288820.db2.gz ODSZOGNCWCBMPF-ZIAGYGMSSA-N 1 0 389.359 2.688 20 0 GFADRO COc1ccc(C(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)nc1Br ZINC000183008620 552298799 /nfs/dbraw/zinc/29/87/99/552298799.db2.gz PEGOXKWJNLOKDM-CYBMUJFWSA-N 1 0 382.302 2.943 20 0 GFADRO C[C@@H]([NH2+]CCc1ccc(S(=O)(=O)N2CCCCC2)s1)c1nccn1C ZINC000183040847 552299248 /nfs/dbraw/zinc/29/92/48/552299248.db2.gz BBCRLKNBMJULAU-CQSZACIVSA-N 1 0 382.555 2.550 20 0 GFADRO O=C(Nc1ccc(Br)cn1)[C@@H]1CCC[N@H+](CCCn2ccnc2)C1 ZINC000183188107 552302487 /nfs/dbraw/zinc/30/24/87/552302487.db2.gz LEOBGSCEFLCUSZ-CQSZACIVSA-N 1 0 392.301 2.781 20 0 GFADRO COc1ccc(C(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)nc1Br ZINC000183195405 552302762 /nfs/dbraw/zinc/30/27/62/552302762.db2.gz JTVRFSKENBRGBP-CYBMUJFWSA-N 1 0 382.302 2.801 20 0 GFADRO C[C@@H](O)[C@@H]1CC[N@H+](C[C@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000183222078 552303381 /nfs/dbraw/zinc/30/33/81/552303381.db2.gz GJONQJGIXKNRAO-WZRBSPASSA-N 1 0 378.694 2.545 20 0 GFADRO Cc1oc(-c2ccc(Cl)c(Cl)c2)nc1C(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000183309880 552305535 /nfs/dbraw/zinc/30/55/35/552305535.db2.gz DZSGRMIZSXNCCV-QGZVFWFLSA-N 1 0 386.279 2.999 20 0 GFADRO CCS(=O)(=O)C[C@@H](C)[NH2+]CCCOc1ncc(C(F)(F)F)cc1Cl ZINC000183397777 552307683 /nfs/dbraw/zinc/30/76/83/552307683.db2.gz FXNCIYDXLDCGEB-SNVBAGLBSA-N 1 0 388.839 2.936 20 0 GFADRO COC[C@@H]([NH2+]C[C@@H](O)COc1ccc(Cl)cc1Br)C1CC1 ZINC000183423712 552308504 /nfs/dbraw/zinc/30/85/04/552308504.db2.gz BIKHYYQUHAXLMQ-TZMCWYRMSA-N 1 0 378.694 2.857 20 0 GFADRO CC[N@@H+]1CC[C@@H](CNC(=O)c2ncc(Br)cc2Br)C1 ZINC000183434701 552309218 /nfs/dbraw/zinc/30/92/18/552309218.db2.gz GPGYTHXVYNZFIP-VIFPVBQESA-N 1 0 391.107 2.678 20 0 GFADRO CN(C)C(=O)[C@@H]1CC[C@H](C[NH2+][C@@H]2CCc3c2c(Br)ccc3F)O1 ZINC000183454561 552309639 /nfs/dbraw/zinc/30/96/39/552309639.db2.gz SKHUWUNVMAJQCS-KMUNFCNLSA-N 1 0 385.277 2.801 20 0 GFADRO COC(=O)[C@H](c1cccc(Cl)c1Cl)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000183596674 552314017 /nfs/dbraw/zinc/31/40/17/552314017.db2.gz FBDVYRMSKSRAOP-DYVFJYSZSA-N 1 0 387.307 2.862 20 0 GFADRO O=S(=O)(CCC[NH2+][C@@H](CO)c1cccc(Br)c1)c1ccccc1 ZINC000183894620 552321969 /nfs/dbraw/zinc/32/19/69/552321969.db2.gz HWORXJCMUNUHLQ-KRWDZBQOSA-N 1 0 398.322 2.936 20 0 GFADRO CC[N@H+](CCO)CCNC(=O)CSc1cc(C)c(Br)cc1C ZINC000183996805 552325244 /nfs/dbraw/zinc/32/52/44/552325244.db2.gz FKYYOPCSXBZHGR-UHFFFAOYSA-N 1 0 389.359 2.588 20 0 GFADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)c1ccc(C(F)(F)F)nc1Cl ZINC000184071238 552326894 /nfs/dbraw/zinc/32/68/94/552326894.db2.gz ASIORZZOOLPARS-LLVKDONJSA-N 1 0 378.826 2.510 20 0 GFADRO CN1CC[NH+](CCC(C)(C)NC(=O)Cc2ccccc2Br)CC1 ZINC000184176211 552329209 /nfs/dbraw/zinc/32/92/09/552329209.db2.gz WYHMWJKNYCQFBH-UHFFFAOYSA-N 1 0 382.346 2.524 20 0 GFADRO CN1CC[NH+](CCC(C)(C)NC(=O)c2cc(F)ccc2Br)CC1 ZINC000184198974 552329372 /nfs/dbraw/zinc/32/93/72/552329372.db2.gz HWQILBRVDVEVMX-UHFFFAOYSA-N 1 0 386.309 2.734 20 0 GFADRO [NH3+]CCN(Cc1ccccc1)C(=O)c1cc(Br)c2c(c1)OCCO2 ZINC000184213685 552329782 /nfs/dbraw/zinc/32/97/82/552329782.db2.gz VVRCEHZQVBUCFD-UHFFFAOYSA-N 1 0 391.265 2.821 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cc(Cl)cc(C(F)(F)F)c1 ZINC000184298334 552331432 /nfs/dbraw/zinc/33/14/32/552331432.db2.gz YDCPJSQCCOQLFI-ZDUSSCGKSA-N 1 0 377.794 2.898 20 0 GFADRO CN(C[C@H]1CCC[N@H+](C)C1)S(=O)(=O)c1ccc(Br)cc1F ZINC000184733851 552342910 /nfs/dbraw/zinc/34/29/10/552342910.db2.gz CDOPRCMRROATFF-NSHDSACASA-N 1 0 379.295 2.551 20 0 GFADRO COCCN(CC[NH+](C)C)C(=O)Nc1cc(F)c(Br)cc1C ZINC000184830010 552345281 /nfs/dbraw/zinc/34/52/81/552345281.db2.gz VQAYYZHEBZJCEX-UHFFFAOYSA-N 1 0 376.270 2.939 20 0 GFADRO Cc1c(Br)scc1C(=O)NC[C@@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000184945602 552348721 /nfs/dbraw/zinc/34/87/21/552348721.db2.gz ULWRKUQNJQLNSZ-AWEZNQCLSA-N 1 0 388.375 2.821 20 0 GFADRO Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+]C[C@@H]2CCN(CC(F)(F)F)C2)cc1 ZINC000185059280 552352538 /nfs/dbraw/zinc/35/25/38/552352538.db2.gz ONZSNTXGSJAHQY-GJZGRUSLSA-N 1 0 378.460 2.631 20 0 GFADRO C[NH+](C)CC1(CNS(=O)(=O)c2cc3c(cc2Cl)OCCO3)CCCC1 ZINC000185093589 552353523 /nfs/dbraw/zinc/35/35/23/552353523.db2.gz VMPRWCDHOQXMKD-UHFFFAOYSA-N 1 0 388.917 2.512 20 0 GFADRO Cc1cc(NC(=O)[C@H](C)N2CCO[C@]3(CCOC3)C2)ccc1Br ZINC000185178912 552356529 /nfs/dbraw/zinc/35/65/29/552356529.db2.gz MVTNCBRZYAXWHK-SUMWQHHRSA-N 1 0 383.286 2.576 20 0 GFADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)N[C@H](C)c1ccc(Br)cc1 ZINC000185458443 552363893 /nfs/dbraw/zinc/36/38/93/552363893.db2.gz MSIUGEHOXJAYJZ-HUUCEWRRSA-N 1 0 397.361 2.835 20 0 GFADRO CN(CCC[NH+](C)C)C(=O)NC[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000185617196 552367148 /nfs/dbraw/zinc/36/71/48/552367148.db2.gz UDZCBVHHLYRVQB-HNNXBMFYSA-N 1 0 397.361 2.869 20 0 GFADRO CCCNC(=O)CC[NH2+]Cc1cc(Br)cc(Br)c1N ZINC000185792569 552370774 /nfs/dbraw/zinc/37/07/74/552370774.db2.gz JGEIICMSMANDBL-UHFFFAOYSA-N 1 0 393.123 2.800 20 0 GFADRO CCO[C@@H](CC[NH+](C)C)CNS(=O)(=O)c1ccc(SC)c(Cl)c1 ZINC000185838870 552371815 /nfs/dbraw/zinc/37/18/15/552371815.db2.gz NKNXLVSDDBENRI-LBPRGKRZSA-N 1 0 380.963 2.697 20 0 GFADRO NC(=O)[C@H](Cc1ccc(Cl)cc1)[NH2+]Cc1cc(Cl)c2c(c1)OCCO2 ZINC000185888895 552372700 /nfs/dbraw/zinc/37/27/00/552372700.db2.gz ICEROZYZNXZOSP-HNNXBMFYSA-N 1 0 381.259 2.951 20 0 GFADRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)c1cc(Cl)ccc1I ZINC000186662140 552394175 /nfs/dbraw/zinc/39/41/75/552394175.db2.gz PJZMSQSCTXVWCD-UFBFGSQYSA-N 1 0 378.641 2.672 20 0 GFADRO C[C@@H]1CN(C(=O)Nc2cc(F)ccc2Br)CC[N@@H+]1CC(C)(C)O ZINC000186699216 552395177 /nfs/dbraw/zinc/39/51/77/552395177.db2.gz QCYJSLVYAPJDGU-LLVKDONJSA-N 1 0 388.281 2.897 20 0 GFADRO C[C@@H](C[NH+]1CCCCCC1)NC(=O)Nc1cc(Br)c(=O)n(C)c1 ZINC000187539018 552418085 /nfs/dbraw/zinc/41/80/85/552418085.db2.gz GULUDNJYZUXUJW-LBPRGKRZSA-N 1 0 385.306 2.534 20 0 GFADRO CCO[C@H]1C[C@@]([NH3+])(C(=O)NCc2ccc(OC)c(Br)c2)C1(C)C ZINC000187623710 552420950 /nfs/dbraw/zinc/42/09/50/552420950.db2.gz QYZFCYLKBPEVEO-WMLDXEAASA-N 1 0 385.302 2.606 20 0 GFADRO CN(CC[N@H+](C)C1CC1)C(=O)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000187702952 552422215 /nfs/dbraw/zinc/42/22/15/552422215.db2.gz JZXRQGZIFCJFNB-UHFFFAOYSA-N 1 0 377.794 2.850 20 0 GFADRO Cc1cc(F)c(Br)cc1NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000187838633 552426182 /nfs/dbraw/zinc/42/61/82/552426182.db2.gz OITKZYHIVBWPAY-NEPJUHHUSA-N 1 0 398.276 2.530 20 0 GFADRO CSC[C@@H](O)C[NH+]1CCC(C(=O)Nc2ccccc2Br)CC1 ZINC000187871046 552427255 /nfs/dbraw/zinc/42/72/55/552427255.db2.gz SELCXICQVVGEAI-ZDUSSCGKSA-N 1 0 387.343 2.824 20 0 GFADRO Cc1cc(Br)cc(NC(=O)C(=O)NCC[N@H+]2CCC[C@H](C)C2)c1 ZINC000188058503 552432864 /nfs/dbraw/zinc/43/28/64/552432864.db2.gz WNZSOHSIYGVOID-LBPRGKRZSA-N 1 0 382.302 2.544 20 0 GFADRO C[NH+](C)CCOc1ccc(CNC(=O)C(=O)Nc2ccsc2Cl)cc1 ZINC000188182875 552438255 /nfs/dbraw/zinc/43/82/55/552438255.db2.gz YUVAPQAWQOOWCE-UHFFFAOYSA-N 1 0 381.885 2.597 20 0 GFADRO O=C(C[NH2+][C@@H](CC1CC1)c1cc(F)cc(Br)c1)N1CCOCC1 ZINC000188193758 552438572 /nfs/dbraw/zinc/43/85/72/552438572.db2.gz FHUGGJHPXSSLMM-INIZCTEOSA-N 1 0 385.277 2.878 20 0 GFADRO CCO[C@@H](CC[NH+](C)C)CNC(=O)Cc1ccc(F)cc1Br ZINC000188189841 552438674 /nfs/dbraw/zinc/43/86/74/552438674.db2.gz OOYBUNOBBJBSMI-AWEZNQCLSA-N 1 0 375.282 2.604 20 0 GFADRO O=C(NCc1ccc2c(c1)C[NH2+]C2)c1ccc(F)cc1I ZINC000188760232 552454724 /nfs/dbraw/zinc/45/47/24/552454724.db2.gz IQYUGHBALACMKT-UHFFFAOYSA-N 1 0 396.203 2.964 20 0 GFADRO COCCO[C@@H]1CC[N@H+](Cc2cnn(-c3ccc(Br)cc3)c2)C1 ZINC000188814273 552455832 /nfs/dbraw/zinc/45/58/32/552455832.db2.gz SJIMIBWRMRINSU-QGZVFWFLSA-N 1 0 380.286 2.872 20 0 GFADRO COCCOC[C@@H]1CC[N@H+](CCOc2cc(F)cc(Br)c2)C1 ZINC000189044599 552461513 /nfs/dbraw/zinc/46/15/13/552461513.db2.gz SBBXMJPHRFHEJU-CYBMUJFWSA-N 1 0 376.266 2.952 20 0 GFADRO O=C(Nc1ccc(Br)cc1)C(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000189396055 552471137 /nfs/dbraw/zinc/47/11/37/552471137.db2.gz DXQQCKVYDLYQKI-INIZCTEOSA-N 1 0 394.313 2.865 20 0 GFADRO O=C(Cc1csc(-c2ccccc2Cl)n1)NCC[N@@H+]1CCCOCC1 ZINC000189452091 552472083 /nfs/dbraw/zinc/47/20/83/552472083.db2.gz VVILKLVYAUTNAZ-UHFFFAOYSA-N 1 0 379.913 2.845 20 0 GFADRO C[N@H+](CC(=O)Nc1c(Cl)cccc1C(F)(F)F)CC1(O)CCOCC1 ZINC000189786795 552479970 /nfs/dbraw/zinc/47/99/70/552479970.db2.gz UWZWUWWOZRGHSK-UHFFFAOYSA-N 1 0 380.794 2.771 20 0 GFADRO O=C(NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1csc(C(F)(F)F)n1 ZINC000189910538 552482864 /nfs/dbraw/zinc/48/28/64/552482864.db2.gz FPHIXPIZWKTSGP-STQMWFEESA-N 1 0 377.432 2.660 20 0 GFADRO O=S(=O)(c1ccc(CC(F)(F)F)cc1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000190001132 552484774 /nfs/dbraw/zinc/48/47/74/552484774.db2.gz GGNKYMFQFLSVOE-HNNXBMFYSA-N 1 0 376.444 2.898 20 0 GFADRO O=C(Nc1ccc(Br)c(F)c1)C(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000190018768 552485388 /nfs/dbraw/zinc/48/53/88/552485388.db2.gz NQXQKKLDOCZPQJ-CYBMUJFWSA-N 1 0 398.276 2.614 20 0 GFADRO Cc1cccc(NC(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCC2)c1Br ZINC000190023186 552485741 /nfs/dbraw/zinc/48/57/41/552485741.db2.gz RMKGQUYOTQDCSM-AWEZNQCLSA-N 1 0 394.313 2.783 20 0 GFADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2cc(C)c(Br)c(C)c2)C1 ZINC000190567456 552501380 /nfs/dbraw/zinc/50/13/80/552501380.db2.gz DGWFNUQYXKYQDX-AWEZNQCLSA-N 1 0 396.329 2.805 20 0 GFADRO CC[NH+](CC)Cc1ccc(NC(=O)c2sc(S(N)(=O)=O)cc2C)cc1 ZINC000190585958 552502216 /nfs/dbraw/zinc/50/22/16/552502216.db2.gz WKAVEMORDPHUCK-UHFFFAOYSA-N 1 0 381.523 2.798 20 0 GFADRO C[C@@H](C[NH+]1CCCCC1)NC(=O)Cc1ccc(I)cc1 ZINC000190883973 552512484 /nfs/dbraw/zinc/51/24/84/552512484.db2.gz AXTCQGBAVNBRAK-ZDUSSCGKSA-N 1 0 386.277 2.824 20 0 GFADRO Cc1nc2n(n1)C[C@@H]([NH2+][C@H]1CCN(c3ccc(Cl)cc3Cl)C1=O)CC2 ZINC000190966119 552515104 /nfs/dbraw/zinc/51/51/04/552515104.db2.gz MDKORDYXZMZPMM-JSGCOSHPSA-N 1 0 380.279 2.603 20 0 GFADRO C[NH+]1CCN(Cc2ccc(NC(=O)COCC3CC3)cc2Br)CC1 ZINC000191082573 552517996 /nfs/dbraw/zinc/51/79/96/552517996.db2.gz WYBBYJORLRVTBO-UHFFFAOYSA-N 1 0 396.329 2.562 20 0 GFADRO COCC[N@@H+](Cc1cccnc1)C[C@@H](O)COc1ccc(Br)cc1 ZINC000191113658 552519121 /nfs/dbraw/zinc/51/91/21/552519121.db2.gz JLRJNYGWKBRGFS-QGZVFWFLSA-N 1 0 395.297 2.732 20 0 GFADRO CS(=O)(=O)N1CC[C@H](C[NH2+]CCCCc2cccc(C(F)(F)F)c2)C1 ZINC000191110648 552519171 /nfs/dbraw/zinc/51/91/71/552519171.db2.gz YKWDTTZLBYRLAM-OAHLLOKOSA-N 1 0 378.460 2.899 20 0 GFADRO Cc1c(Br)cccc1CC(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000191628608 552533545 /nfs/dbraw/zinc/53/35/45/552533545.db2.gz AWOODAGXBBCFIR-INIZCTEOSA-N 1 0 395.341 2.871 20 0 GFADRO COC(=O)C(C)(C)C[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000191696999 552535155 /nfs/dbraw/zinc/53/51/55/552535155.db2.gz HQHOGGRNWAYFLN-UHFFFAOYSA-N 1 0 385.302 2.575 20 0 GFADRO CS(=O)(=O)N(CC[N@@H+]1CCC[C@H](c2nccs2)C1)Cc1ccccc1 ZINC000191977917 552544812 /nfs/dbraw/zinc/54/48/12/552544812.db2.gz VXGIGFOPOBDOER-KRWDZBQOSA-N 1 0 379.551 2.784 20 0 GFADRO Cn1nc(Br)cc1C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000191998082 552545642 /nfs/dbraw/zinc/54/56/42/552545642.db2.gz BEKMOOLTULMDQU-UHFFFAOYSA-N 1 0 397.342 2.886 20 0 GFADRO [NH3+]C[C@@H](NS(=O)(=O)c1ccc(Br)cc1Cl)C1CCCC1 ZINC000192028960 552546760 /nfs/dbraw/zinc/54/67/60/552546760.db2.gz RENXPYZTVQGDGO-GFCCVEGCSA-N 1 0 381.723 2.898 20 0 GFADRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)c1cc(Br)c(F)cc1F ZINC000192065086 552548587 /nfs/dbraw/zinc/54/85/87/552548587.db2.gz BTHJKRJPOKLZSC-NSHDSACASA-N 1 0 391.256 2.910 20 0 GFADRO CN1C(=O)C[C@H]([NH2+]CC(=O)NCc2cccs2)[C@@H]1c1ccc(Cl)cc1 ZINC000192150691 552553283 /nfs/dbraw/zinc/55/32/83/552553283.db2.gz RAKWXAAOGURJMF-YJBOKZPZSA-N 1 0 377.897 2.579 20 0 GFADRO COCC[N@H+](C)CCCNC(=O)Nc1c(F)cc(F)cc1Br ZINC000192285196 552558291 /nfs/dbraw/zinc/55/82/91/552558291.db2.gz JDZBMPLZMNQDDI-UHFFFAOYSA-N 1 0 380.233 2.817 20 0 GFADRO C[N@H+](CCCO)C1CCN(C(=O)Nc2cc(Cl)c(N)c(Cl)c2)CC1 ZINC000192307135 552558887 /nfs/dbraw/zinc/55/88/87/552558887.db2.gz VXTRFSUAFQSIBU-UHFFFAOYSA-N 1 0 375.300 2.886 20 0 GFADRO O=C(Nc1ncc(F)cc1I)C1CC[NH+](C2CC2)CC1 ZINC000192723159 552972434 /nfs/dbraw/zinc/97/24/34/552972434.db2.gz SXXGGXJKCQRNGG-UHFFFAOYSA-N 1 0 389.212 2.638 20 0 GFADRO C[C@@H](O)C[N@@H+]1CCN(CC(=O)N[C@@H](C)c2ccc(Cl)c(Cl)c2)[C@@H](C)C1 ZINC000192818899 552974448 /nfs/dbraw/zinc/97/44/48/552974448.db2.gz CGFIMSLFJZNLGD-MJBXVCDLSA-N 1 0 388.339 2.558 20 0 GFADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)c1ccc(OC(F)(F)Cl)cc1 ZINC000192845157 552975648 /nfs/dbraw/zinc/97/56/48/552975648.db2.gz FPHSBXGTPGWUAX-ZDUSSCGKSA-N 1 0 375.847 2.610 20 0 GFADRO COc1cc(C[NH2+]CCCCCO)cc(I)c1OC ZINC000192902502 552977204 /nfs/dbraw/zinc/97/72/04/552977204.db2.gz LVJKNHVUVIAPAZ-UHFFFAOYSA-N 1 0 379.238 2.561 20 0 GFADRO CCN(CCC[NH+](C)C)S(=O)(=O)c1c(F)cc(NC(C)=O)c(Cl)c1F ZINC000192941111 552978322 /nfs/dbraw/zinc/97/83/22/552978322.db2.gz KVVMTTSTKXQPLJ-UHFFFAOYSA-N 1 0 397.875 2.539 20 0 GFADRO O=C(CCc1c[nH]cn1)NCC1(c2ccc(Br)cc2)CCOCC1 ZINC000193070477 552982347 /nfs/dbraw/zinc/98/23/47/552982347.db2.gz WJYGBVSCDLSVGW-UHFFFAOYSA-N 1 0 392.297 2.969 20 0 GFADRO [NH3+]C1CCN(S(=O)(=O)c2ccc(Br)c(Cl)c2Cl)CC1 ZINC000193223434 552986709 /nfs/dbraw/zinc/98/67/09/552986709.db2.gz RGDWDVIPCDBSIF-UHFFFAOYSA-N 1 0 388.114 2.868 20 0 GFADRO CC(C)(C[NH3+])NS(=O)(=O)c1ccc(Br)c(Cl)c1Cl ZINC000193262031 552987798 /nfs/dbraw/zinc/98/77/98/552987798.db2.gz DVHSJSXJUREUQT-UHFFFAOYSA-N 1 0 376.103 2.772 20 0 GFADRO [NH3+]C[C@H](NS(=O)(=O)c1cc(Br)c(Cl)cc1Cl)C1CC1 ZINC000193294356 552989322 /nfs/dbraw/zinc/98/93/22/552989322.db2.gz PVYSXWYICMIEIV-JTQLQIEISA-N 1 0 388.114 2.772 20 0 GFADRO COc1cc(Br)c(F)cc1S(=O)(=O)N[C@](C)(C[NH3+])CC(C)C ZINC000193288409 552989030 /nfs/dbraw/zinc/98/90/30/552989030.db2.gz STLBSDNVZAOKJO-AWEZNQCLSA-N 1 0 397.310 2.639 20 0 GFADRO O=S(=O)(c1ccc(CC(F)(F)F)cc1)N1CCC([NH2+]CC2CC2)CC1 ZINC000193294808 552989394 /nfs/dbraw/zinc/98/93/94/552989394.db2.gz XWSBWIPYIKIDOK-UHFFFAOYSA-N 1 0 376.444 2.944 20 0 GFADRO COc1cc(Br)c(F)cc1S(=O)(=O)N(C)CC[C@@H]([NH3+])C(C)C ZINC000193303709 552989467 /nfs/dbraw/zinc/98/94/67/552989467.db2.gz FYAZYZKIOCKXEB-GFCCVEGCSA-N 1 0 397.310 2.591 20 0 GFADRO O=S(=O)(Cc1ccc(Br)cc1)NCc1ccc2c(c1)C[NH2+]C2 ZINC000193429426 552992956 /nfs/dbraw/zinc/99/29/56/552992956.db2.gz JUZLGXCCSAHSPB-UHFFFAOYSA-N 1 0 381.295 2.672 20 0 GFADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)Nc1ccncn1 ZINC000194059550 553011193 /nfs/dbraw/zinc/01/11/93/553011193.db2.gz QQVIBRMCFOMOPX-UHFFFAOYSA-N 1 0 378.274 2.835 20 0 GFADRO O=C(NCC[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCC2)c1cccc(Br)c1 ZINC000194100387 553011497 /nfs/dbraw/zinc/01/14/97/553011497.db2.gz JTBRGDAWIJMKPY-OWCLPIDISA-N 1 0 379.298 2.726 20 0 GFADRO COC[C@H](C)C[NH2+]Cc1cc(I)c(OC)c(OC)c1 ZINC000194551801 553024220 /nfs/dbraw/zinc/02/42/20/553024220.db2.gz GCJJUETZTKRCCM-SNVBAGLBSA-N 1 0 379.238 2.681 20 0 GFADRO O=C(NC[C@@H](O)COc1cccc(Cl)c1Cl)C1CC[NH+](C2CC2)CC1 ZINC000194754051 553028890 /nfs/dbraw/zinc/02/88/90/553028890.db2.gz DVSOSAHCELTFFA-CQSZACIVSA-N 1 0 387.307 2.724 20 0 GFADRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)Nc1cc(Cl)ccc1Cl ZINC000195052986 553036778 /nfs/dbraw/zinc/03/67/78/553036778.db2.gz OPAVXGFLQWQMQF-CYBMUJFWSA-N 1 0 388.295 2.501 20 0 GFADRO C[NH+](C)Cc1cccc(NC(=O)C(=O)NCc2ccccc2Br)c1 ZINC000195229099 553041922 /nfs/dbraw/zinc/04/19/22/553041922.db2.gz WLXKLEFLGFAVFJ-UHFFFAOYSA-N 1 0 390.281 2.766 20 0 GFADRO O=C(c1cc(COc2c(Cl)cccc2Cl)on1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000195266881 553042930 /nfs/dbraw/zinc/04/29/30/553042930.db2.gz IBKYOCQAAZVCPC-PHIMTYICSA-N 1 0 382.247 2.852 20 0 GFADRO CCN(CC)S(=O)(=O)c1cc(NC(=O)C[N@H+](C)C(C)C)ccc1Cl ZINC000198664845 553051961 /nfs/dbraw/zinc/05/19/61/553051961.db2.gz MNBHLAKGYGLSFT-UHFFFAOYSA-N 1 0 375.922 2.649 20 0 GFADRO O=C(NC[C@H]1CCC[NH2+]C1)c1ccc(I)c(Cl)c1 ZINC000226230805 553060766 /nfs/dbraw/zinc/06/07/66/553060766.db2.gz FOIQMOZIUISOIC-VIFPVBQESA-N 1 0 378.641 2.674 20 0 GFADRO O=C(NC[C@@H]1CCCC[NH2+]1)c1cc(Cl)ccc1I ZINC000226232019 553060789 /nfs/dbraw/zinc/06/07/89/553060789.db2.gz SPHMUFGQJWJLNZ-JTQLQIEISA-N 1 0 378.641 2.817 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCN(C(=O)c2ccc(I)c(Cl)c2)C1 ZINC000226542647 553061577 /nfs/dbraw/zinc/06/15/77/553061577.db2.gz RUIDIHWUTJZCCP-WPRPVWTQSA-N 1 0 378.641 2.754 20 0 GFADRO CC(=O)Nc1ccc(-c2csc(NC(=O)C[C@@H]3CSCC[NH2+]3)n2)cc1 ZINC000236614377 553069823 /nfs/dbraw/zinc/06/98/23/553069823.db2.gz SWKRVJWPCHNMBK-CQSZACIVSA-N 1 0 376.507 2.802 20 0 GFADRO O=C(CCC1CC[NH2+]CC1)NCCC(=O)Nc1ccc(Br)cc1 ZINC000236616726 553069922 /nfs/dbraw/zinc/06/99/22/553069922.db2.gz XUSUTSIOFVJNIY-UHFFFAOYSA-N 1 0 382.302 2.674 20 0 GFADRO O=C(NCc1cn2cc(Br)ccc2n1)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000236639058 553069923 /nfs/dbraw/zinc/06/99/23/553069923.db2.gz CRSMBRMENJXGIS-CQDKDKBSSA-N 1 0 377.286 2.634 20 0 GFADRO O=C(CCNC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1)Nc1ccc(Br)cc1 ZINC000236719133 553070824 /nfs/dbraw/zinc/07/08/24/553070824.db2.gz VQBVOEIAILATKG-KCXAZCMYSA-N 1 0 394.313 2.815 20 0 GFADRO CCOC(=O)C[C@H](NC(=O)CC1CC[NH2+]CC1)c1ccc(Br)cc1 ZINC000236861498 553072201 /nfs/dbraw/zinc/07/22/01/553072201.db2.gz XKLAMPDFPYMVTN-INIZCTEOSA-N 1 0 397.313 2.949 20 0 GFADRO CC[NH2+]CC1CCN(C(=O)c2cc(Br)c3c(c2)OCCO3)CC1 ZINC000236850105 553072401 /nfs/dbraw/zinc/07/24/01/553072401.db2.gz NIAZOIWLVWOTHE-UHFFFAOYSA-N 1 0 383.286 2.682 20 0 GFADRO CCOc1cc(Br)c(CC(=O)N[C@H](C[NH3+])C2CC2)cc1OCC ZINC000236879879 553073083 /nfs/dbraw/zinc/07/30/83/553073083.db2.gz FAEKNRZRNFGDHA-CQSZACIVSA-N 1 0 385.302 2.643 20 0 GFADRO CCc1c(C(=O)NC[C@@H]([NH3+])C2CC2)cnn1-c1ccc(Br)cc1 ZINC000237103308 553074936 /nfs/dbraw/zinc/07/49/36/553074936.db2.gz PPAIGMATUAQPPF-OAHLLOKOSA-N 1 0 377.286 2.664 20 0 GFADRO C[NH2+]CC(=O)NC[C@@H](c1ccc(SC)cc1)N1CCc2sccc2C1 ZINC000237237510 553076168 /nfs/dbraw/zinc/07/61/68/553076168.db2.gz TZCIZMZCONPUTC-KRWDZBQOSA-N 1 0 375.563 2.905 20 0 GFADRO C[NH2+]C[C@@H](C)CNC(=O)c1cc(Cl)c(I)cc1OC ZINC000237325173 553076468 /nfs/dbraw/zinc/07/64/68/553076468.db2.gz VQJOGEVZUOZMOU-MRVPVSSYSA-N 1 0 396.656 2.539 20 0 GFADRO C[C@@H]1C[C@H]([NH3+])CCN1C(=O)CCc1nc(-c2cc(Br)cs2)no1 ZINC000237388873 553077042 /nfs/dbraw/zinc/07/70/42/553077042.db2.gz FKDVHLNUZYVOPB-MWLCHTKSSA-N 1 0 399.314 2.831 20 0 GFADRO C[C@H](CC(=O)N1CCN(c2ccc(Br)cn2)CC1)[C@H]1CCC[NH2+]C1 ZINC000237572998 553079304 /nfs/dbraw/zinc/07/93/04/553079304.db2.gz ORTMEAZKQGXVKT-CABCVRRESA-N 1 0 395.345 2.519 20 0 GFADRO Cc1c(C(=O)N2C[C@H](C)[NH2+]C[C@H]2C)cnn1-c1cccc(Br)c1 ZINC000237586476 553079487 /nfs/dbraw/zinc/07/94/87/553079487.db2.gz QPRKOGPZUDWKAL-NWDGAFQWSA-N 1 0 377.286 2.766 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)c1cnn(-c2ccc(Br)cc2)c1 ZINC000237568350 553079567 /nfs/dbraw/zinc/07/95/67/553079567.db2.gz WBQMBEWZELLNRF-BLLLJJGKSA-N 1 0 377.286 2.977 20 0 GFADRO [NH3+]CCCOC1CCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)CC1 ZINC000237825853 553083055 /nfs/dbraw/zinc/08/30/55/553083055.db2.gz KHCDUJFDIFUVPR-UHFFFAOYSA-N 1 0 381.325 2.653 20 0 GFADRO Cc1nn(-c2ccc(C(=O)N[C@H](C[NH3+])C3CC3)cc2)c(C)c1Br ZINC000237669658 553080335 /nfs/dbraw/zinc/08/03/35/553080335.db2.gz YJCJWNYVQLNRBN-OAHLLOKOSA-N 1 0 377.286 2.719 20 0 GFADRO O=S(=O)(c1ccc(Br)c(F)c1)N1CCC([NH2+]CC2CC2)CC1 ZINC000237708170 553080399 /nfs/dbraw/zinc/08/03/99/553080399.db2.gz LQZLGUMEIRICHD-UHFFFAOYSA-N 1 0 391.306 2.741 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H]1C(=O)NCCSCCOc1cccc(Br)c1 ZINC000237919623 553084117 /nfs/dbraw/zinc/08/41/17/553084117.db2.gz LCWMIGFAEOVRED-LSDHHAIUSA-N 1 0 387.343 2.805 20 0 GFADRO Cc1nn(-c2ccc(C(=O)N[C@H]3CCC[NH2+]C3)cc2)c(C)c1Br ZINC000237670018 553080497 /nfs/dbraw/zinc/08/04/97/553080497.db2.gz CFEMXPKKTGIVBQ-AWEZNQCLSA-N 1 0 377.286 2.733 20 0 GFADRO O=C([C@@H]1CCCC[NH2+]1)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000237706343 553080525 /nfs/dbraw/zinc/08/05/25/553080525.db2.gz ZBXLSVWRVHXCRU-ZDUSSCGKSA-N 1 0 376.810 2.545 20 0 GFADRO O=C(C[NH2+]C[C@H]1CCCO1)Nc1ccnn1Cc1ccc(Cl)cc1Cl ZINC000237720446 553081198 /nfs/dbraw/zinc/08/11/98/553081198.db2.gz KVXFTFPTXMPQQF-CQSZACIVSA-N 1 0 383.279 2.945 20 0 GFADRO O=C(NCCc1cc(Br)ccc1F)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000237721799 553081293 /nfs/dbraw/zinc/08/12/93/553081293.db2.gz YVWWHLGNLCIQEK-KRWDZBQOSA-N 1 0 377.257 2.961 20 0 GFADRO O=C(NC[C@H]1CCCN(C(=O)c2cc(Cl)cc(Cl)c2)C1)[C@@H]1CCC[NH2+]1 ZINC000237833751 553082805 /nfs/dbraw/zinc/08/28/05/553082805.db2.gz JVKUXVFNPYVIDW-WBMJQRKESA-N 1 0 384.307 2.714 20 0 GFADRO [NH3+]C1(C(=O)N2CCN(C(=O)c3cc(Cl)cc(Cl)c3)CC2)CCCCC1 ZINC000237889675 553083232 /nfs/dbraw/zinc/08/32/32/553083232.db2.gz HFLAYUNBPHEHJK-UHFFFAOYSA-N 1 0 384.307 2.939 20 0 GFADRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)c1cc(F)c(F)cc1I ZINC000237887856 553083647 /nfs/dbraw/zinc/08/36/47/553083647.db2.gz LQVZHRQLHHMRAH-SDBXPKJASA-N 1 0 394.203 2.817 20 0 GFADRO [NH3+]C[C@H](NC(=O)c1cc(=O)c2cc(Br)ccc2[nH]1)C1CCCCC1 ZINC000237915548 553084011 /nfs/dbraw/zinc/08/40/11/553084011.db2.gz QRHRDBJMFPERDA-INIZCTEOSA-N 1 0 392.297 2.928 20 0 GFADRO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)c1cnn(-c2ccc(Br)cc2)c1 ZINC000237930652 553084153 /nfs/dbraw/zinc/08/41/53/553084153.db2.gz UVSJZRQHHUGJEB-BLLLJJGKSA-N 1 0 377.286 2.882 20 0 GFADRO O[C@@H](C[NH2+]Cc1ccc(F)cc1Br)COc1ccc2c(c1)OCO2 ZINC000238039696 553084970 /nfs/dbraw/zinc/08/49/70/553084970.db2.gz VCPKOAYXNNQJDY-ZDUSSCGKSA-N 1 0 398.228 2.846 20 0 GFADRO O=C(Nc1cccc(C2SCCS2)c1)c1cn(C2CC[NH2+]CC2)nn1 ZINC000238061051 553085737 /nfs/dbraw/zinc/08/57/37/553085737.db2.gz WPEDDQUOFPRKGV-UHFFFAOYSA-N 1 0 375.523 2.934 20 0 GFADRO Cc1csc(NC(=O)C(=O)NC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)n1 ZINC000245436893 553090578 /nfs/dbraw/zinc/09/05/78/553090578.db2.gz VTQQXAACJSQPOC-TZMCWYRMSA-N 1 0 378.523 2.651 20 0 GFADRO O=c1cc(C[N@H+](C[C@H]2CCCO2)[C@H]2CCSC2)nc2ccc(Cl)cn12 ZINC000245853372 553098381 /nfs/dbraw/zinc/09/83/81/553098381.db2.gz JQMAXKCCAIMPIR-JKSUJKDBSA-N 1 0 379.913 2.834 20 0 GFADRO CC1(C)COCCN1CCNC(=O)[C@H]1C[C@H]1c1ccc(Br)cc1 ZINC000246006485 553100955 /nfs/dbraw/zinc/10/09/55/553100955.db2.gz HPAYFEMZWGSVBR-HOTGVXAUSA-N 1 0 381.314 2.780 20 0 GFADRO CO[C@@H]1CCCN([C@@H](C)C(=O)Nc2cccc(I)c2)C1 ZINC000246122440 553102805 /nfs/dbraw/zinc/10/28/05/553102805.db2.gz NUJXBQRHIMJZCR-SMDDNHRTSA-N 1 0 388.249 2.729 20 0 GFADRO [NH3+][C@@H]1CCC[C@H](C(=O)NC[C@H]2CCN(c3cccc(Br)c3)C2)C1 ZINC000246221758 553104232 /nfs/dbraw/zinc/10/42/32/553104232.db2.gz GUCPJMQFXPLEAB-IJEWVQPXSA-N 1 0 380.330 2.909 20 0 GFADRO CCNC(=O)NC(=O)[C@@H](C)N1CCC[C@H]1c1cc(Br)ccc1OC ZINC000246244748 553105318 /nfs/dbraw/zinc/10/53/18/553105318.db2.gz DRARHAWFSLXOFL-RISCZKNCSA-N 1 0 398.301 2.829 20 0 GFADRO CCC[N@H+](C[C@H](O)Cc1ccc(C(F)(F)F)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000246299912 553105705 /nfs/dbraw/zinc/10/57/05/553105705.db2.gz AKWFKOBBUNDCCQ-JKSUJKDBSA-N 1 0 379.444 2.508 20 0 GFADRO C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N1CCN(C[C@H](C)O)[C@@H](C)C1 ZINC000246620484 553110455 /nfs/dbraw/zinc/11/04/55/553110455.db2.gz DAWLAINRNZPCDC-RWMBFGLXSA-N 1 0 375.296 2.674 20 0 GFADRO CCO[C@@H]1C[C@@H](O)C12CC[NH+](C[C@@H](O)c1cccc(Br)c1)CC2 ZINC000246707658 553112255 /nfs/dbraw/zinc/11/22/55/553112255.db2.gz CKBSQJQJUAKXME-BRWVUGGUSA-N 1 0 384.314 2.734 20 0 GFADRO C[C@@H](NC(=O)CN1CCC[C@@H](OCCO)C1)c1ccc(Cl)cc1Cl ZINC000246739068 553112839 /nfs/dbraw/zinc/11/28/39/553112839.db2.gz IHNDJEQSIXCCBE-TZMCWYRMSA-N 1 0 375.296 2.644 20 0 GFADRO C[N@@H+]1CCC[C@H]2CN(C(=O)NCCOc3ncc(Cl)cc3Cl)CC[C@H]21 ZINC000246800355 553113239 /nfs/dbraw/zinc/11/32/39/553113239.db2.gz JBDMHILGXQOGJV-SWLSCSKDSA-N 1 0 387.311 2.893 20 0 GFADRO CN(Cc1ccc([S@@](C)=O)cc1)[C@@H](C(N)=O)c1ccc(Br)cc1 ZINC000246924511 553115758 /nfs/dbraw/zinc/11/57/58/553115758.db2.gz GTQOOOXQWMYUMZ-WAIKUNEKSA-N 1 0 395.322 2.845 20 0 GFADRO C[N@@H+]1CCC[C@@H](CNC(=O)N[C@H]2CCN(c3ccc(Br)cc3)C2)C1 ZINC000247169950 553119387 /nfs/dbraw/zinc/11/93/87/553119387.db2.gz OVFJADYMRNGDIW-HOCLYGCPSA-N 1 0 395.345 2.669 20 0 GFADRO CC(=O)N1CC[C@H](C[N@@H+](C)[C@@H](C)C(=O)Nc2ccc(Br)cc2)C1 ZINC000247223292 553120225 /nfs/dbraw/zinc/12/02/25/553120225.db2.gz ZDGWLKDCOSITEE-GXTWGEPZSA-N 1 0 382.302 2.576 20 0 GFADRO O=S(=O)(NCC[N@H+]1CCC[C@@H]1C[C@@H](O)c1cccs1)c1ccccc1 ZINC000247274978 553120628 /nfs/dbraw/zinc/12/06/28/553120628.db2.gz WSYJBJVRFDGFJD-NVXWUHKLSA-N 1 0 380.535 2.615 20 0 GFADRO C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N(C)[C@@H]1CC[N@H+](C)C[C@H]1C ZINC000247353792 553121246 /nfs/dbraw/zinc/12/12/46/553121246.db2.gz JUNDOOXCNAHPCY-TYNCELHUSA-N 1 0 386.323 2.910 20 0 GFADRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1ccc(I)c(F)c1 ZINC000247474247 553122512 /nfs/dbraw/zinc/12/25/12/553122512.db2.gz SDANFLCBPOXKHC-IINYFYTJSA-N 1 0 390.240 2.843 20 0 GFADRO COCCOC[C@H]1CC[N@H+](C[C@@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000247538677 553123542 /nfs/dbraw/zinc/12/35/42/553123542.db2.gz OYHONPHXCCRNLN-DZGCQCFKSA-N 1 0 378.296 2.718 20 0 GFADRO O[C@H](COc1cc(Cl)ccc1Cl)C[N@@H+]1CCC[C@H]1CN1CCOCC1 ZINC000247554058 553124099 /nfs/dbraw/zinc/12/40/99/553124099.db2.gz QFQIQBHTVQVVGR-HOTGVXAUSA-N 1 0 389.323 2.530 20 0 GFADRO CC[C@@H](C)C[N@H+](C)[C@H](C)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000247578063 553124108 /nfs/dbraw/zinc/12/41/08/553124108.db2.gz KVJGCHOBQQDBGH-CHWSQXEVSA-N 1 0 389.949 2.895 20 0 GFADRO COc1ccc(Br)cc1CC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000247946593 553126500 /nfs/dbraw/zinc/12/65/00/553126500.db2.gz DOAJXRZUBLUIIP-CZUORRHYSA-N 1 0 381.314 2.943 20 0 GFADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)[C@H]1C[C@H]1c1cccc(Br)c1 ZINC000248687896 553133144 /nfs/dbraw/zinc/13/31/44/553133144.db2.gz HUIFDPZCYMSXFK-JLSDUUJJSA-N 1 0 394.357 2.695 20 0 GFADRO CCN1CC[C@H](NS(=O)(=O)N2CCC[C@H]2C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000248722407 553133708 /nfs/dbraw/zinc/13/37/08/553133708.db2.gz OSTJJJKMGFXTAG-DQYPLSBCSA-N 1 0 389.924 2.933 20 0 GFADRO COC(=O)[C@@H](C)N(C[C@@H](O)COc1ccc(Br)cc1)C1CCC1 ZINC000248708765 553133856 /nfs/dbraw/zinc/13/38/56/553133856.db2.gz IEMCFGHQOKVHBH-IUODEOHRSA-N 1 0 386.286 2.605 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2cc(OC)c(OC)cc2Cl)[C@@H](C)C1 ZINC000248774962 553134607 /nfs/dbraw/zinc/13/46/07/553134607.db2.gz UENWEAAKCSURBV-JSGCOSHPSA-N 1 0 390.933 2.708 20 0 GFADRO C[C@H](CNC(=O)Nc1ccc(Cl)c(S(C)(=O)=O)c1)[N@@H+]1CCC[C@H](C)C1 ZINC000249069092 553138208 /nfs/dbraw/zinc/13/82/08/553138208.db2.gz QUBBFVGQVLBELC-QWHCGFSZSA-N 1 0 387.933 2.985 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(Br)cc2)[C@@H](C)C1 ZINC000249165409 553140038 /nfs/dbraw/zinc/14/00/38/553140038.db2.gz KATKNQZISYVWOJ-WFASDCNBSA-N 1 0 382.302 2.576 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(C)cc2Br)[C@@H](C)C1 ZINC000249158395 553140237 /nfs/dbraw/zinc/14/02/37/553140237.db2.gz IVFYVCDVLVFYFS-XJKSGUPXSA-N 1 0 396.329 2.885 20 0 GFADRO COc1cc(Br)ccc1[C@H](C)[NH2+]C[C@@H](O)COC[C@H]1CCCO1 ZINC000249283502 553141623 /nfs/dbraw/zinc/14/16/23/553141623.db2.gz LFHBSHWBDYWSMR-NWANDNLSSA-N 1 0 388.302 2.665 20 0 GFADRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)[C@H]1C[C@@H]1c1cccc(Br)c1 ZINC000249398277 553142732 /nfs/dbraw/zinc/14/27/32/553142732.db2.gz SCEQPZOOVHPDSD-XYPHTWIQSA-N 1 0 395.341 2.856 20 0 GFADRO CCO[C@@H]1C[C@](CO)([NH2+]C[C@@H](O)COc2c(Cl)cccc2Cl)C1(C)C ZINC000249427305 553142989 /nfs/dbraw/zinc/14/29/89/553142989.db2.gz YHZVFDBVRIDDND-CDHAZOANSA-N 1 0 392.323 2.889 20 0 GFADRO C[N@H+](C[C@@H](O)COc1ccccc1C(F)(F)F)C[C@@H](O)CC(F)(F)F ZINC000249510055 553143906 /nfs/dbraw/zinc/14/39/06/553143906.db2.gz ZQIVRJUXPVFFBY-WDEREUQCSA-N 1 0 375.309 2.690 20 0 GFADRO C[C@H](O)C[N@@H+]1CCN(CC(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)[C@@H](C)C1 ZINC000249521911 553144384 /nfs/dbraw/zinc/14/43/84/553144384.db2.gz VWESDAMPWLLYTI-IHRRRGAJSA-N 1 0 388.339 2.558 20 0 GFADRO OC[C@@H]1CCC[N@H+](C[C@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000250641844 553147808 /nfs/dbraw/zinc/14/78/08/553147808.db2.gz VAEGWZNPUZQCSC-YPMHNXCESA-N 1 0 378.694 2.547 20 0 GFADRO COc1cc([C@H](C)[NH2+][C@@H]2C[C@H]3OCCC[C@@H]23)ccc1S(=O)(=O)C(F)F ZINC000251593228 553148413 /nfs/dbraw/zinc/14/84/13/553148413.db2.gz FOYGFCIWOPGIME-SCUASFONSA-N 1 0 375.437 2.910 20 0 GFADRO C[C@H](O)CN1CCN(C(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)[C@@H](C)C1 ZINC000253203623 553150975 /nfs/dbraw/zinc/15/09/75/553150975.db2.gz HMRHXWYGCNWNEJ-AVGNSLFASA-N 1 0 375.296 2.674 20 0 GFADRO C[NH2+][C@@H](C)CNC(=O)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000261614043 553153970 /nfs/dbraw/zinc/15/39/70/553153970.db2.gz AKZSIMCWYQOKRK-JTQLQIEISA-N 1 0 378.826 2.694 20 0 GFADRO NC(=O)[C@@H](c1ccc(Br)cc1F)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000261611988 553154120 /nfs/dbraw/zinc/15/41/20/553154120.db2.gz CBNZXTLMOFGOOW-USXIJHARSA-N 1 0 392.272 2.541 20 0 GFADRO COc1ccccc1[C@@H]1C[NH2+]CCN1CC(=O)NCc1ccc(Cl)s1 ZINC000261625638 553154777 /nfs/dbraw/zinc/15/47/77/553154777.db2.gz DIZZPAIDNYPDAQ-HNNXBMFYSA-N 1 0 379.913 2.673 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H]2CN(S(=O)(=O)c3c(Cl)cccc3Br)C[C@@H]21 ZINC000261696492 553156425 /nfs/dbraw/zinc/15/64/25/553156425.db2.gz NUMXKLALVRDTKH-GBIKHYSHSA-N 1 0 393.734 2.850 20 0 GFADRO C[C@@]([NH3+])(C(=O)NC[C@@H]1CSCCS1)c1ccc(Br)cc1 ZINC000261752765 553157982 /nfs/dbraw/zinc/15/79/82/553157982.db2.gz MVERSUPRPBHEGH-OCCSQVGLSA-N 1 0 375.357 2.588 20 0 GFADRO C[C@@H]1CCCN(S(=O)(=O)c2c(Cl)cccc2Br)[C@H]1C[NH3+] ZINC000261776295 553159033 /nfs/dbraw/zinc/15/90/33/553159033.db2.gz PEAJREYGJCTROB-SKDRFNHKSA-N 1 0 381.723 2.850 20 0 GFADRO [NH3+]C1(c2noc([C@H]3CCN(c4ccccc4Br)C3=O)n2)CCC1 ZINC000261844319 553160889 /nfs/dbraw/zinc/16/08/89/553160889.db2.gz SFYSFSDFLKLLDV-SNVBAGLBSA-N 1 0 377.242 2.691 20 0 GFADRO [NH3+][C@@H]1CN(S(=O)(=O)c2ccc(Br)s2)C[C@H]1c1ccccc1 ZINC000261851206 553161184 /nfs/dbraw/zinc/16/11/84/553161184.db2.gz QCPAKRHSNSULME-NWDGAFQWSA-N 1 0 387.324 2.626 20 0 GFADRO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000261890964 553162239 /nfs/dbraw/zinc/16/22/39/553162239.db2.gz VIEPMYNNOAVHMS-GUTXKFCHSA-N 1 0 390.933 2.644 20 0 GFADRO CCOC(=O)[C@@H](Cc1cc(Cl)cc(Cl)c1)NC(=O)CC[C@@H]1CC[NH2+]C1 ZINC000261903072 553162246 /nfs/dbraw/zinc/16/22/46/553162246.db2.gz ZFGOAAQZHKHGKN-MLGOLLRUSA-N 1 0 387.307 2.974 20 0 GFADRO C[C@H](c1nc(-c2cccs2)no1)N1CCN(Cc2cnc(N)s2)CC1 ZINC000261903962 553162298 /nfs/dbraw/zinc/16/22/98/553162298.db2.gz WPRWMJAIDBCQNW-LLVKDONJSA-N 1 0 376.511 2.716 20 0 GFADRO CN(Cc1cccc(Br)c1)C(=O)[C@]1([NH3+])[C@@H]2CCCO[C@H]2C1(C)C ZINC000261895354 553162399 /nfs/dbraw/zinc/16/23/99/553162399.db2.gz OGLYRARTEKHANF-IIDMSEBBSA-N 1 0 381.314 2.940 20 0 GFADRO CCC(CC)(C[NH3+])C(=O)NCc1nnc2c(Cl)cc(C(F)(F)F)cn12 ZINC000261960006 553163365 /nfs/dbraw/zinc/16/33/65/553163365.db2.gz MINVUXLKVGRBHL-UHFFFAOYSA-N 1 0 377.798 2.783 20 0 GFADRO CCOC(=O)c1cc2cc(S(=O)(=O)N[C@@H]3CCC[C@@H]([NH3+])C3)ccc2s1 ZINC000261969205 553163429 /nfs/dbraw/zinc/16/34/29/553163429.db2.gz BEPNOTFZPQIPNG-CHWSQXEVSA-N 1 0 382.507 2.626 20 0 GFADRO FC(F)Oc1c(Br)cccc1CN1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000262151611 553166542 /nfs/dbraw/zinc/16/65/42/553166542.db2.gz RGFXYTUZLTYDQH-CYBMUJFWSA-N 1 0 390.272 2.530 20 0 GFADRO Cc1cc(Br)cc2cc(C(=O)N3CC[C@H](N4CC[NH2+]CC4)C3)oc21 ZINC000262152854 553166564 /nfs/dbraw/zinc/16/65/64/553166564.db2.gz ZBYJHYOKSKMOFE-HNNXBMFYSA-N 1 0 392.297 2.623 20 0 GFADRO C[C@]1(C[NH3+])CCN(C(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)C1 ZINC000262181431 553167083 /nfs/dbraw/zinc/16/70/83/553167083.db2.gz ZDNDRAMGDIDFAC-MAUKXSAKSA-N 1 0 384.307 2.795 20 0 GFADRO O=C(COc1ccc(Br)cc1)NC[C@H]1[NH2+]CCc2ccccc21 ZINC000262440092 553170769 /nfs/dbraw/zinc/17/07/69/553170769.db2.gz USYWGFNNZQTCLH-QGZVFWFLSA-N 1 0 375.266 2.831 20 0 GFADRO Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000262488219 553171338 /nfs/dbraw/zinc/17/13/38/553171338.db2.gz UACYZHIDCRMJIK-BETUJISGSA-N 1 0 377.897 2.975 20 0 GFADRO O=C(N1CCC(n2cc(Br)cn2)CC1)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000262559965 553172498 /nfs/dbraw/zinc/17/24/98/553172498.db2.gz QLQQVHRTRUMOGL-SUMWQHHRSA-N 1 0 381.318 2.589 20 0 GFADRO O=C(c1cc(F)c(F)cc1I)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262631033 553173613 /nfs/dbraw/zinc/17/36/13/553173613.db2.gz MRIJHRWFLUUCKU-BDAKNGLRSA-N 1 0 392.187 2.536 20 0 GFADRO C[S@@](=O)Cc1cc(NC(=O)c2ccn([C@@H]3CCC[NH2+]C3)n2)ccc1Cl ZINC000262709398 553173832 /nfs/dbraw/zinc/17/38/32/553173832.db2.gz FACNVXGMTWCYNB-DLUDVSRJSA-N 1 0 380.901 2.592 20 0 GFADRO COc1ccc(OC)c(-c2csc(NC(=O)C[C@H]3CSCC[NH2+]3)n2)c1 ZINC000262792482 553175474 /nfs/dbraw/zinc/17/54/74/553175474.db2.gz NPPSAVMHQGBGRX-NSHDSACASA-N 1 0 379.507 2.861 20 0 GFADRO C[C@H]1[NH2+]CCN(C(=O)c2ccc(I)c(Cl)c2)[C@H]1C ZINC000262796240 553176485 /nfs/dbraw/zinc/17/64/85/553176485.db2.gz OEIVQTINGFXRLI-BDAKNGLRSA-N 1 0 378.641 2.767 20 0 GFADRO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000262869948 553177621 /nfs/dbraw/zinc/17/76/21/553177621.db2.gz UXIXBKDQWUEFLZ-TVQRCGJNSA-N 1 0 379.254 2.592 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)CC[NH2+]1 ZINC000262951096 553179445 /nfs/dbraw/zinc/17/94/45/553179445.db2.gz VLIBDBWESCEAAS-LYRGGWFBSA-N 1 0 384.307 2.855 20 0 GFADRO C[NH2+]CCN(C)C(=O)c1ccc(OCc2cc(C)no2)c(Br)c1 ZINC000263231058 553184765 /nfs/dbraw/zinc/18/47/65/553184765.db2.gz IDVJZDJRODDSAE-UHFFFAOYSA-N 1 0 382.258 2.616 20 0 GFADRO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)Nc1cc(Cl)c(OC)c(Cl)c1 ZINC000263649207 553190276 /nfs/dbraw/zinc/19/02/76/553190276.db2.gz CNWAYIKMKHZCGO-SNVBAGLBSA-N 1 0 376.284 2.787 20 0 GFADRO C[C@H](CNC(=O)c1csc(-c2ccc(Cl)cc2)n1)N1CC[NH+](C)CC1 ZINC000263702568 553191431 /nfs/dbraw/zinc/19/14/31/553191431.db2.gz BRRQAHNJQAPUCS-CYBMUJFWSA-N 1 0 378.929 2.829 20 0 GFADRO Cc1cc(CNC(=O)N[C@H](C[NH3+])CC(C)C)ccc1I ZINC000418145495 563899825 /nfs/dbraw/zinc/89/98/25/563899825.db2.gz YGFHDQGMNDXOSS-ZDUSSCGKSA-N 1 0 389.281 2.772 20 0 GFADRO C[C@@H](C[NH3+])N(C)C(=O)NCc1cc(Br)ccc1Br ZINC000418040956 563896391 /nfs/dbraw/zinc/89/63/91/563896391.db2.gz JHLPMPVEXUGJDL-QMMMGPOBSA-N 1 0 379.096 2.700 20 0 GFADRO COc1cc(Br)c(C[NH2+][C@@H]2CCN(CC(F)F)C2)cc1OC ZINC000418133784 563899957 /nfs/dbraw/zinc/89/99/57/563899957.db2.gz LHFGJNNMWPRXOO-LLVKDONJSA-N 1 0 379.245 2.895 20 0 GFADRO CCN(CCC[NH+](C)C)C(=O)C(=O)Nc1c(C)cc(C)cc1Br ZINC000471228325 564189787 /nfs/dbraw/zinc/18/97/87/564189787.db2.gz UCPRGGBSCFLEIW-UHFFFAOYSA-N 1 0 384.318 2.805 20 0 GFADRO COCC[N@@H+](Cc1ccc(Br)s1)C[C@@H]1CCNC(=O)CC1 ZINC000450843926 564251190 /nfs/dbraw/zinc/25/11/90/564251190.db2.gz FSJGBAPQCGOHJH-LBPRGKRZSA-N 1 0 375.332 2.875 20 0 GFADRO CN(CC1([NH+](C)C)CCC1)C(=O)c1ccc(I)cc1F ZINC000451012438 564262772 /nfs/dbraw/zinc/26/27/72/564262772.db2.gz GGDJUOUGLFNVIS-UHFFFAOYSA-N 1 0 390.240 2.987 20 0 GFADRO CC[NH+](CC)CCO[C@@H]1CCN(c2ncccc2I)C1 ZINC000474184924 564268262 /nfs/dbraw/zinc/26/82/62/564268262.db2.gz ZZBDDNHQZVKMPN-CYBMUJFWSA-N 1 0 389.281 2.623 20 0 GFADRO C[C@@H](CC[NH2+]Cc1c(F)ccc(I)c1F)[S@](C)=O ZINC000474882881 564292175 /nfs/dbraw/zinc/29/21/75/564292175.db2.gz MSGSDZOGSUYIDO-ASCAZGACSA-N 1 0 387.233 2.816 20 0 GFADRO CCOCCOC[C@@H](O)C[NH2+][C@@H]1CCc2c1c(Br)ccc2F ZINC000477931838 564391008 /nfs/dbraw/zinc/39/10/08/564391008.db2.gz DBKBEEZWACMZER-XHDPSFHLSA-N 1 0 376.266 2.579 20 0 GFADRO Cc1cc(C(=O)NC[C@H]2CCC[N@@H+]2CCCO)cc(Cl)c1Br ZINC000452366524 564409401 /nfs/dbraw/zinc/40/94/01/564409401.db2.gz OQJMYUDGPBICRC-CYBMUJFWSA-N 1 0 389.721 2.988 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(I)c(Cl)c3)C[C@@H]21 ZINC000452975550 564440719 /nfs/dbraw/zinc/44/07/19/564440719.db2.gz NIASRHIVBWYDIR-MFKMUULPSA-N 1 0 390.652 2.721 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]C1CCSCC1 ZINC000294986007 563224506 /nfs/dbraw/zinc/22/45/06/563224506.db2.gz HGQQJVGOPBXUGU-NSHDSACASA-N 1 0 387.343 2.948 20 0 GFADRO C[NH+]1CCN([C@@H]2CCCCN(C(=O)c3ccc(Br)s3)C2)CC1 ZINC000372625526 563312520 /nfs/dbraw/zinc/31/25/20/563312520.db2.gz MOLKEKMUXFANQP-CYBMUJFWSA-N 1 0 386.359 2.753 20 0 GFADRO COCC[C@@H](CO)[NH2+]Cc1cc(Br)c(OC)c(Br)c1 ZINC000311281282 563435660 /nfs/dbraw/zinc/43/56/60/563435660.db2.gz BRJYPNAMIRLOSO-JTQLQIEISA-N 1 0 397.107 2.707 20 0 GFADRO CNC(=O)c1ccc(C[NH2+]Cc2cccc(I)c2)cc1 ZINC000312418475 563437170 /nfs/dbraw/zinc/43/71/70/563437170.db2.gz RUUQOOPRRWBHDZ-UHFFFAOYSA-N 1 0 380.229 2.941 20 0 GFADRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)c1cc(I)ccc1Cl ZINC000427594254 563469836 /nfs/dbraw/zinc/46/98/36/563469836.db2.gz XGFHEFJNXAIUMQ-UFBFGSQYSA-N 1 0 378.641 2.672 20 0 GFADRO CCOC(=O)c1cc(Cl)cc(S(=O)(=O)Nc2cc[nH+]c(N(C)C)c2)c1 ZINC000427797324 563475290 /nfs/dbraw/zinc/47/52/90/563475290.db2.gz KJGMWNREWUJNBZ-UHFFFAOYSA-N 1 0 383.857 2.779 20 0 GFADRO [NH3+]C[C@H]1CC[C@@H](NC(=O)c2ccc(I)c(Cl)c2)C1 ZINC000382441851 563516518 /nfs/dbraw/zinc/51/65/18/563516518.db2.gz QEXIEBJQZVZPRJ-WCBMZHEXSA-N 1 0 378.641 2.802 20 0 GFADRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NCCc1c[nH]c2cccc(Br)c12 ZINC000418196194 563213140 /nfs/dbraw/zinc/21/31/40/563213140.db2.gz HCIYSDXIWGPNHQ-RISCZKNCSA-N 1 0 379.302 2.770 20 0 GFADRO C[C@H](NC(=O)N(CCC[NH3+])CC1CCCC1)c1ncc(Br)cn1 ZINC000418209787 563213623 /nfs/dbraw/zinc/21/36/23/563213623.db2.gz FUOAGLIUVQUFGX-LBPRGKRZSA-N 1 0 384.322 2.851 20 0 GFADRO Cc1nc(CNC(=O)N(CC[NH3+])Cc2ccccc2)sc1Br ZINC000418233251 563214206 /nfs/dbraw/zinc/21/42/06/563214206.db2.gz GDWKSUWNEMDFPK-UHFFFAOYSA-N 1 0 383.315 2.885 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)NCc1nc2c(cccc2Br)[nH]1 ZINC000418271532 563214942 /nfs/dbraw/zinc/21/49/42/563214942.db2.gz TZZWVEIPPRNKTK-GWCFXTLKSA-N 1 0 380.290 2.737 20 0 GFADRO O=C(NCC[C@@H]1CCC[NH2+]C1)NCc1nc2c(cccc2Br)[nH]1 ZINC000418265551 563215058 /nfs/dbraw/zinc/21/50/58/563215058.db2.gz LUMVZACKXUDYBS-NSHDSACASA-N 1 0 380.290 2.514 20 0 GFADRO C[NH2+]C[C@H](C)CNC(=O)N1CCC[C@@H](Nc2cccc(Br)c2)C1 ZINC000418380905 563216180 /nfs/dbraw/zinc/21/61/80/563216180.db2.gz HVALAMXODMPYDT-XJKSGUPXSA-N 1 0 383.334 2.891 20 0 GFADRO C[NH2+]C[C@@H](C)CNC(=O)N1CCN([C@@H](C)c2ccc(Br)cc2)CC1 ZINC000418359562 563216235 /nfs/dbraw/zinc/21/62/35/563216235.db2.gz ALTQKTHADFXETO-CABCVRRESA-N 1 0 397.361 2.693 20 0 GFADRO [NH3+]C1CCC(NC(=O)N2CCO[C@@H](c3cccc(Br)c3)C2)CC1 ZINC000418377781 563216624 /nfs/dbraw/zinc/21/66/24/563216624.db2.gz BQSKTKQWANGWEM-UYSNPLJNSA-N 1 0 382.302 2.802 20 0 GFADRO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)C[NH2+][C@H]1CCOC[C@H]1C ZINC000277616937 563216827 /nfs/dbraw/zinc/21/68/27/563216827.db2.gz YHRAGNZZMJSAEX-RNCFNFMXSA-N 1 0 375.252 2.733 20 0 GFADRO CCC([NH3+])(CC)CNC(=O)N1CCN(c2cccc(Br)c2)CC1 ZINC000418426380 563216987 /nfs/dbraw/zinc/21/69/87/563216987.db2.gz LUFVHKOFFKLQHM-UHFFFAOYSA-N 1 0 383.334 2.798 20 0 GFADRO CC[C@H](c1ccc(Br)cc1)N1CCN(C(=O)NCC(C)(C)[NH3+])CC1 ZINC000418413109 563217093 /nfs/dbraw/zinc/21/70/93/563217093.db2.gz JBACZBLTMPHIDT-MRXNPFEDSA-N 1 0 397.361 2.965 20 0 GFADRO CCC[NH2+]CCNC(=O)N1CCO[C@H](c2ccc(Br)cc2)[C@@H]1C ZINC000418464808 563217721 /nfs/dbraw/zinc/21/77/21/563217721.db2.gz BRPHFJXFCHDXNM-BBRMVZONSA-N 1 0 384.318 2.920 20 0 GFADRO CCCC[C@H](C[NH3+])NC(=O)NC[C@H](O)COc1cccc(Cl)c1Cl ZINC000418477201 563217925 /nfs/dbraw/zinc/21/79/25/563217925.db2.gz XLLHFMXBHUWFLS-NEPJUHHUSA-N 1 0 378.300 2.550 20 0 GFADRO CCCC[C@H](C[NH3+])NC(=O)N(CCO)Cc1ccc(Br)s1 ZINC000418468120 563217947 /nfs/dbraw/zinc/21/79/47/563217947.db2.gz PIPKJKQDRMVBCB-LLVKDONJSA-N 1 0 378.336 2.532 20 0 GFADRO C[C@@H]1[C@@H](c2ccc(Br)cc2)OCCN1C(=O)NC[C@@H]1CC[NH2+]C1 ZINC000418511376 563218422 /nfs/dbraw/zinc/21/84/22/563218422.db2.gz DIZQZXFAQVAFMA-IOASZLSFSA-N 1 0 382.302 2.530 20 0 GFADRO CC[C@H]1Cc2c(Br)cccc2CN1C(=O)NCC[NH2+]CCOC ZINC000418508889 563218580 /nfs/dbraw/zinc/21/85/80/563218580.db2.gz NSVZTZVVIQSTLI-AWEZNQCLSA-N 1 0 384.318 2.531 20 0 GFADRO COCC[NH2+]CCNC(=O)N1CCC(c2ccc(Br)c(C)c2)CC1 ZINC000418509362 563218726 /nfs/dbraw/zinc/21/87/26/563218726.db2.gz OIMJOXVKQLGPBH-UHFFFAOYSA-N 1 0 398.345 2.883 20 0 GFADRO C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)NCC2([NH3+])CCC2)CC1 ZINC000418531457 563219165 /nfs/dbraw/zinc/21/91/65/563219165.db2.gz XEXCAXYDDAFWGQ-AWEZNQCLSA-N 1 0 395.345 2.719 20 0 GFADRO CCOC(=O)C1([S@](C)=O)CCN(Cc2ccc(Br)cc2)CC1 ZINC000294864985 563219298 /nfs/dbraw/zinc/21/92/98/563219298.db2.gz UGGDQZJOJYEMHT-QFIPXVFZSA-N 1 0 388.327 2.725 20 0 GFADRO C[C@H](CC[NH3+])NC(=O)N1CCN(c2ccc(C(F)(F)F)cc2Cl)CC1 ZINC000418516031 563219463 /nfs/dbraw/zinc/21/94/63/563219463.db2.gz CAFOSQZAVJWYEU-LLVKDONJSA-N 1 0 378.826 2.928 20 0 GFADRO [NH3+]C[C@H](NC(=O)N1CCC(n2cc(Br)cn2)CC1)C1CCCC1 ZINC000418593306 563220752 /nfs/dbraw/zinc/22/07/52/563220752.db2.gz LWGSWRXIALBSEA-HNNXBMFYSA-N 1 0 384.322 2.510 20 0 GFADRO COCCN(Cc1cc(Br)cs1)C(=O)N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000418595242 563220974 /nfs/dbraw/zinc/22/09/74/563220974.db2.gz GFEKGFHQLLVGLV-WCQYABFASA-N 1 0 390.347 2.809 20 0 GFADRO CCn1nc(C)c(S(=O)(=O)NC[C@@H]2CC[N@H+](C)[C@@H]2c2cccs2)c1C ZINC000369674057 563221230 /nfs/dbraw/zinc/22/12/30/563221230.db2.gz MWKMJCWDKHMURH-HOCLYGCPSA-N 1 0 382.555 2.553 20 0 GFADRO C[NH2+][C@H](C)CNC(=O)N1CCC(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000418636788 563221417 /nfs/dbraw/zinc/22/14/17/563221417.db2.gz IHVKMQBIPIZOAY-LLVKDONJSA-N 1 0 387.311 2.961 20 0 GFADRO C[NH2+][C@@H](C)CNC(=O)N1CCC(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000418636789 563221472 /nfs/dbraw/zinc/22/14/72/563221472.db2.gz IHVKMQBIPIZOAY-NSHDSACASA-N 1 0 387.311 2.961 20 0 GFADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)Cc1cccc(Br)c1 ZINC000369693596 563221975 /nfs/dbraw/zinc/22/19/75/563221975.db2.gz UKQPMNGOPSYHDL-CQSZACIVSA-N 1 0 381.314 2.703 20 0 GFADRO [NH3+]C[C@H]1CC[C@H](CNC(=O)N2CCC(n3cc(Br)cn3)CC2)CC1 ZINC000418684036 563222259 /nfs/dbraw/zinc/22/22/59/563222259.db2.gz KLKMHPJQIXTIQP-HDJSIYSDSA-N 1 0 398.349 2.757 20 0 GFADRO [NH3+]C[C@H]1CC[C@H](CNC(=O)NCCNc2cccc(Br)c2)CC1 ZINC000418667458 563222271 /nfs/dbraw/zinc/22/22/71/563222271.db2.gz MNNDNQDHPRTXTH-HDJSIYSDSA-N 1 0 383.334 2.925 20 0 GFADRO C[NH+](C)CCOc1ccc(CCNC(=O)c2ccoc2Br)cc1 ZINC000277720163 563222622 /nfs/dbraw/zinc/22/26/22/563222622.db2.gz MTCHANDJEPTTES-UHFFFAOYSA-N 1 0 381.270 2.955 20 0 GFADRO C[C@H](CCC[NH3+])NC(=O)N1CCN(C(=O)c2cccc(Cl)c2Cl)CC1 ZINC000418706325 563222708 /nfs/dbraw/zinc/22/27/08/563222708.db2.gz OOCKQRDCJGQTSK-GFCCVEGCSA-N 1 0 387.311 2.588 20 0 GFADRO CC[C@H]([NH3+])CNC(=O)N[C@@H](CO)c1ccc(Br)cc1C(F)(F)F ZINC000418724952 563223412 /nfs/dbraw/zinc/22/34/12/563223412.db2.gz KLYKMYLUXFCULO-CABZTGNLSA-N 1 0 398.223 2.538 20 0 GFADRO Cc1c(Br)cccc1C(=O)NC[C@H]1CCC[C@@H]1[NH+]1CCOCC1 ZINC000369727757 563223501 /nfs/dbraw/zinc/22/35/01/563223501.db2.gz QOWHHWAODFJJRF-PBHICJAKSA-N 1 0 381.314 2.988 20 0 GFADRO O=C(N[C@@H](CCO)c1ccc(Cl)c(Cl)c1)N[C@H]1C[NH2+]CCC1(F)F ZINC000418749936 563224384 /nfs/dbraw/zinc/22/43/84/563224384.db2.gz CVVAUCLCLAWTRB-STQMWFEESA-N 1 0 382.238 2.713 20 0 GFADRO Cc1cc(Br)ccc1CN(C)C(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000418760557 563224415 /nfs/dbraw/zinc/22/44/15/563224415.db2.gz LDRVNURITXXCLK-ZDUSSCGKSA-N 1 0 376.245 2.896 20 0 GFADRO [NH3+]C[C@@H]1CCCN1C(=O)C(=O)N[C@@H](c1cccs1)c1ccc(Cl)cc1 ZINC000418771986 563225165 /nfs/dbraw/zinc/22/51/65/563225165.db2.gz YSJMLBDZVSWSSN-GOEBONIOSA-N 1 0 377.897 2.557 20 0 GFADRO O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)c1cccc(F)c1Br ZINC000295034955 563225867 /nfs/dbraw/zinc/22/58/67/563225867.db2.gz OYHBFGVVAFNIGX-GFCCVEGCSA-N 1 0 385.277 2.819 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)Cc1cc[nH]c(=O)c1Br ZINC000277801734 563226896 /nfs/dbraw/zinc/22/68/96/563226896.db2.gz GMYNOFLFNLQZEZ-CYBMUJFWSA-N 1 0 384.318 2.863 20 0 GFADRO COCC[NH+]1CCC(NC(=O)N2CCO[C@@H](c3ccc(Cl)s3)C2)CC1 ZINC000369871235 563227141 /nfs/dbraw/zinc/22/71/41/563227141.db2.gz JVCQFEQRKZAALR-CQSZACIVSA-N 1 0 387.933 2.595 20 0 GFADRO C[C@H](NC(=O)C(=O)N[C@H]1CCCC[C@@H]1C[NH3+])c1cc(F)c(Cl)cc1Cl ZINC000418856240 563227725 /nfs/dbraw/zinc/22/77/25/563227725.db2.gz WLYZVSJIVRCVNT-WMFXKJRFSA-N 1 0 390.286 2.943 20 0 GFADRO COC[C@]1(C)CC[N@H+](CC(=O)N(C)Cc2cc(Br)cs2)C1 ZINC000295125869 563229897 /nfs/dbraw/zinc/22/98/97/563229897.db2.gz AFZFDNDAFDKIDS-OAHLLOKOSA-N 1 0 375.332 2.827 20 0 GFADRO CSC[C@H](O)C[NH+]1CCC(O)(Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000369971805 563230256 /nfs/dbraw/zinc/23/02/56/563230256.db2.gz BFSOOEQOJRMWNK-CQSZACIVSA-N 1 0 379.444 2.679 20 0 GFADRO COCCC[N@H+](C)CCNC(=O)c1cc(Cl)c(F)cc1Br ZINC000295123636 563230517 /nfs/dbraw/zinc/23/05/17/563230517.db2.gz ZTNQWGPFJQJEKN-UHFFFAOYSA-N 1 0 381.673 2.940 20 0 GFADRO COc1cc(CNC(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)cc(Br)c1OC ZINC000370013779 563231169 /nfs/dbraw/zinc/23/11/69/563231169.db2.gz XDZJXYPKWQPGIB-KGLIPLIRSA-N 1 0 397.313 2.957 20 0 GFADRO CCCN(C(=O)C(=O)NCCCc1ccc(Cl)cc1Cl)[C@@H]1CC[NH2+]C1 ZINC000419033497 563232426 /nfs/dbraw/zinc/23/24/26/563232426.db2.gz CNWCDPFIAKSZAH-OAHLLOKOSA-N 1 0 386.323 2.643 20 0 GFADRO [NH3+][C@H]1C[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1cc(Br)ccc1Cl ZINC000370090423 563233410 /nfs/dbraw/zinc/23/34/10/563233410.db2.gz GJSAYMAWEZYHOJ-JGPRNRPPSA-N 1 0 379.707 2.745 20 0 GFADRO C[C@@H](C[NH3+])CNC(=O)C(=O)NCC1(c2ccc(Cl)cc2Cl)CCCC1 ZINC000419134425 563234392 /nfs/dbraw/zinc/23/43/92/563234392.db2.gz HPBFEGWQLJIKAQ-LBPRGKRZSA-N 1 0 386.323 2.632 20 0 GFADRO C[C@H](C[NH3+])N(C)C(=O)C(=O)NCC1(c2ccc(Cl)cc2Cl)CCCC1 ZINC000419159351 563234478 /nfs/dbraw/zinc/23/44/78/563234478.db2.gz XHDDEOCOFOSXQN-GFCCVEGCSA-N 1 0 386.323 2.727 20 0 GFADRO [NH3+]C1CCN(C(=O)C(=O)N[C@@H](c2ccsc2)c2ccc(Cl)cc2)CC1 ZINC000419127969 563234694 /nfs/dbraw/zinc/23/46/94/563234694.db2.gz UHVQJTKGWNCODA-MRXNPFEDSA-N 1 0 377.897 2.557 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N[C@@H]1CCSc2ccc(Cl)cc21 ZINC000419201089 563234865 /nfs/dbraw/zinc/23/48/65/563234865.db2.gz BUURSEONAOSYQY-NILFDRSVSA-N 1 0 381.929 2.721 20 0 GFADRO CN(C)S(=O)(=O)[C@H]1CCCN(Cc2cc(-c3ccccc3Cl)on2)C1 ZINC000419254266 563235319 /nfs/dbraw/zinc/23/53/19/563235319.db2.gz AHPHBEOVTUJMMX-AWEZNQCLSA-N 1 0 383.901 2.851 20 0 GFADRO CCCN(C(=O)C(=O)N[C@@H](C)Cc1ccc(Cl)cc1Cl)[C@@H]1CC[NH2+]C1 ZINC000419288841 563236332 /nfs/dbraw/zinc/23/63/32/563236332.db2.gz TZOGGRLIMBOOKO-SWLSCSKDSA-N 1 0 386.323 2.641 20 0 GFADRO Cc1cc(Br)cc(C)c1CNC(=O)C(=O)N(C)CC[C@H]([NH3+])C(C)C ZINC000419305911 563236448 /nfs/dbraw/zinc/23/64/48/563236448.db2.gz XSWMMODBVVRBIZ-INIZCTEOSA-N 1 0 398.345 2.514 20 0 GFADRO O=S(=O)(c1c(F)c(F)c(F)c(F)c1F)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000370231607 563237204 /nfs/dbraw/zinc/23/72/04/563237204.db2.gz DWFORSZLOGOGCG-RKDXNWHRSA-N 1 0 384.370 2.535 20 0 GFADRO Cc1cc(Br)c(S(=O)(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)s1 ZINC000295235566 563237712 /nfs/dbraw/zinc/23/77/12/563237712.db2.gz CXPGQTOYPMHWDK-FGWVZKOKSA-N 1 0 379.345 2.723 20 0 GFADRO O=C1CC[C@H]([NH2+]Cc2nc(-c3cccc(Br)c3)c[nH]2)[C@@H](C2CC2)N1 ZINC000370263661 563238626 /nfs/dbraw/zinc/23/86/26/563238626.db2.gz ZUNVEFXWXSYWOC-KBXCAEBGSA-N 1 0 389.297 2.986 20 0 GFADRO C[C@@H](c1nc(N)nc(Cl)n1)N(C)C[C@@H](O)c1ccccc1Br ZINC000295257899 563239225 /nfs/dbraw/zinc/23/92/25/563239225.db2.gz GPSQIIYOUZGKPE-GZMMTYOYSA-N 1 0 386.681 2.596 20 0 GFADRO O=C(NCc1cccc(Br)c1)N1CCC[C@H]1C[N@H+]1CCC[C@H]1CO ZINC000370297072 563239449 /nfs/dbraw/zinc/23/94/49/563239449.db2.gz AUGRGYCTKKZNCH-IRXDYDNUSA-N 1 0 396.329 2.580 20 0 GFADRO C[C@@H]1CN(C(=O)N[C@@H]2CCSc3ccc(Cl)cc32)[C@@H](C)C[N@@H+]1CCO ZINC000419412842 563239968 /nfs/dbraw/zinc/23/99/68/563239968.db2.gz ROSQCVJECZHZEZ-DVOMOZLQSA-N 1 0 383.945 2.973 20 0 GFADRO C[C@@H](CNC(=O)C(=O)NC[C@]1(C)CCC[NH2+]C1)c1c(Cl)cccc1Cl ZINC000419510461 563240981 /nfs/dbraw/zinc/24/09/81/563240981.db2.gz BIUXKEOBMZPTDO-KPZWWZAWSA-N 1 0 386.323 2.719 20 0 GFADRO O=C(NCC1CC[NH+](C2CC2)CC1)C(=O)Nc1ccc(Br)c(F)c1 ZINC000278147878 563242918 /nfs/dbraw/zinc/24/29/18/563242918.db2.gz HARWXRQOLPLHHG-UHFFFAOYSA-N 1 0 398.276 2.517 20 0 GFADRO CC[N@@H+]1CCC[C@@H](CN(C)c2ncc(Br)cn2)[C@@H]1c1cnn(C)c1 ZINC000370416055 563243543 /nfs/dbraw/zinc/24/35/43/563243543.db2.gz WYCSMOPYQOOKNQ-XJKSGUPXSA-N 1 0 393.333 2.882 20 0 GFADRO C[NH2+][C@@H](C)CNC(=O)C(=O)N[C@H](C)c1ccc(-c2ccc(Cl)cc2)s1 ZINC000419616478 563243835 /nfs/dbraw/zinc/24/38/35/563243835.db2.gz STBGRXYRMXWTTQ-NWDGAFQWSA-N 1 0 379.913 2.970 20 0 GFADRO O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)c1cc(Br)c(F)cc1F ZINC000370444126 563244186 /nfs/dbraw/zinc/24/41/86/563244186.db2.gz IMBAUHXVJUXASQ-LLVKDONJSA-N 1 0 389.240 2.710 20 0 GFADRO O=C(NC[C@H]1CCC[N@H+](Cc2cccnc2)C1)c1cccnc1Br ZINC000370474079 563245038 /nfs/dbraw/zinc/24/50/38/563245038.db2.gz UPHZUQVCOHYYGP-OAHLLOKOSA-N 1 0 389.297 2.881 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+]CCC[C@H]2CCCCO2)cc1Br ZINC000419681679 563245651 /nfs/dbraw/zinc/24/56/51/563245651.db2.gz ISPKGRDTODGOBV-CYBMUJFWSA-N 1 0 391.331 2.535 20 0 GFADRO CN(C)c1ncc(C[NH2+][C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)n1C ZINC000419694387 563246112 /nfs/dbraw/zinc/24/61/12/563246112.db2.gz QAEJPYVTZOXBEZ-OAHLLOKOSA-N 1 0 382.295 2.688 20 0 GFADRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)NCC(C)(C)c1c(Cl)cccc1Cl ZINC000419700505 563246834 /nfs/dbraw/zinc/24/68/34/563246834.db2.gz XNMRNEKYZUKGQQ-SMDDNHRTSA-N 1 0 386.323 2.501 20 0 GFADRO Cc1c(CNC(=O)C(=O)N2CC[C@@H]([C@H](C)[NH3+])C2)sc2ccc(Cl)cc12 ZINC000419712623 563247501 /nfs/dbraw/zinc/24/75/01/563247501.db2.gz RFCVVTVMGXASAA-NWDGAFQWSA-N 1 0 379.913 2.675 20 0 GFADRO Cc1c2cc(Cl)ccc2sc1CNC(=O)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000419721009 563248423 /nfs/dbraw/zinc/24/84/23/563248423.db2.gz YOYPQXQRTQIGIK-LBPRGKRZSA-N 1 0 379.913 2.595 20 0 GFADRO CCC[C@@H](O)[C@@H](CO)[NH2+]Cc1cc(Br)cc(C)c1OC(F)F ZINC000419801309 563250828 /nfs/dbraw/zinc/25/08/28/563250828.db2.gz AMAKVJZVKZWCNO-CHWSQXEVSA-N 1 0 382.245 2.970 20 0 GFADRO O=C(CCC[NH+]1CCC(N2CCNC2=O)CC1)c1ccc(Br)cc1 ZINC000295525526 563251789 /nfs/dbraw/zinc/25/17/89/563251789.db2.gz MVJSQLKVTRNJRM-UHFFFAOYSA-N 1 0 394.313 2.902 20 0 GFADRO C[C@H]1c2c(Cl)cc(Cl)cc2CCN1C(=O)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000419879633 563252216 /nfs/dbraw/zinc/25/22/16/563252216.db2.gz GRPRNKLAMCDLQN-RYUDHWBXSA-N 1 0 384.307 2.555 20 0 GFADRO CCCN(Cc1ccccc1Br)C(=O)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000419864646 563252362 /nfs/dbraw/zinc/25/23/62/563252362.db2.gz FVBUJHNRVSFLEO-HUUCEWRRSA-N 1 0 396.329 2.574 20 0 GFADRO Cc1cc(Br)ccc1C(=O)NC[C@H]1CCC[C@H]1[NH+]1CCOCC1 ZINC000370771688 563254576 /nfs/dbraw/zinc/25/45/76/563254576.db2.gz JCMUNASULVOJJZ-RHSMWYFYSA-N 1 0 381.314 2.988 20 0 GFADRO CCn1cc(Br)cc1C(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000370839750 563257591 /nfs/dbraw/zinc/25/75/91/563257591.db2.gz RNQNUISWGPUEBJ-INIZCTEOSA-N 1 0 397.361 2.511 20 0 GFADRO CC(C)([NH3+])CNC(=O)C(=O)N1CCC(Cc2cc(Cl)ccc2Cl)CC1 ZINC000420074279 563258318 /nfs/dbraw/zinc/25/83/18/563258318.db2.gz HMDDJDIYXFURLG-UHFFFAOYSA-N 1 0 386.323 2.628 20 0 GFADRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)N1CCc2cc(Cl)cc(Cl)c2[C@H]1C ZINC000420110487 563258970 /nfs/dbraw/zinc/25/89/70/563258970.db2.gz ZOWGERBSLJNJDR-UEKVPHQBSA-N 1 0 384.307 2.553 20 0 GFADRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)C(=O)N(Cc2cccs2)Cc2cccs2)C1 ZINC000420190756 563259621 /nfs/dbraw/zinc/25/96/21/563259621.db2.gz HGIYSOWGDFZBPM-ZIAGYGMSSA-N 1 0 377.535 2.582 20 0 GFADRO O=C1[C@H](N2CCC[C@]3(CC[NH2+]C3)C2)CCN1c1cccc(Br)c1 ZINC000420348382 563261806 /nfs/dbraw/zinc/26/18/06/563261806.db2.gz LETVBYPURRHICN-SJLPKXTDSA-N 1 0 378.314 2.630 20 0 GFADRO CC(C)Cc1ncnc(NC[C@@H]2CCC[C@@H]([NH3+])C2)c1I ZINC000420279188 563262105 /nfs/dbraw/zinc/26/21/05/563262105.db2.gz JXJITOXNEQEIFK-VXGBXAGGSA-N 1 0 388.297 3.209 20 0 GFADRO C[C@@H](O)C[N@@H+]1CCN(C(=O)Nc2ccc(OC(F)F)c(Cl)c2)[C@@H](C)C1 ZINC000278575523 563262338 /nfs/dbraw/zinc/26/23/38/563262338.db2.gz JQFBBTOUVBEHLI-WDEREUQCSA-N 1 0 377.819 2.860 20 0 GFADRO CN(Cc1ccccc1Br)C(=O)CN[C@@H](C[NH3+])C1CCCCC1 ZINC000420365852 563262660 /nfs/dbraw/zinc/26/26/60/563262660.db2.gz SUSKAWIFOWVZRV-KRWDZBQOSA-N 1 0 382.346 2.905 20 0 GFADRO C[C@@H]1CC[NH2+][C@@H](C)[C@H]1NCC(=O)Nc1c(F)cc(F)cc1Br ZINC000420358212 563262933 /nfs/dbraw/zinc/26/29/33/563262933.db2.gz FDAZMLRRWXGIAQ-ITMYJUKJSA-N 1 0 376.245 2.642 20 0 GFADRO NC(=O)[C@@H](c1ccc(Br)cc1)N1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1 ZINC000420385931 563263140 /nfs/dbraw/zinc/26/31/40/563263140.db2.gz HMWILXFJVBERDP-USXIJHARSA-N 1 0 392.272 2.541 20 0 GFADRO O=S(=O)(c1ccc(C(F)(F)F)c(F)c1)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420456839 563263799 /nfs/dbraw/zinc/26/37/99/563263799.db2.gz HINDVXXKZNKEFZ-ABAIWWIYSA-N 1 0 380.407 2.997 20 0 GFADRO CC1(C)C[NH2+]CC[C@@H]1NS(=O)(=O)c1cc(Br)ccc1Cl ZINC000420459142 563264295 /nfs/dbraw/zinc/26/42/95/563264295.db2.gz JWKRMKXHKPJKOY-LBPRGKRZSA-N 1 0 381.723 2.769 20 0 GFADRO O=S(=O)(c1ccc(CC(F)(F)F)cc1)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420459686 563264354 /nfs/dbraw/zinc/26/43/54/563264354.db2.gz KLOOOZSQSYEXIR-ZBFHGGJFSA-N 1 0 376.444 2.944 20 0 GFADRO Cc1cc(Br)cc(S(=O)(=O)N2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c1 ZINC000420463038 563264450 /nfs/dbraw/zinc/26/44/50/563264450.db2.gz NRAPYLPOVHVRMU-XJKSGUPXSA-N 1 0 387.343 2.910 20 0 GFADRO Cc1cccc(S(=O)(=O)N2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c1Br ZINC000420471654 563265117 /nfs/dbraw/zinc/26/51/17/563265117.db2.gz YINRAAAIBMBRAR-UONOGXRCSA-N 1 0 387.343 2.910 20 0 GFADRO C[C@H](SCC[NH+](C)C)C(=O)N1CC(=O)Nc2cc(C(F)(F)F)ccc21 ZINC000371120344 563266318 /nfs/dbraw/zinc/26/63/18/563266318.db2.gz QUWIBXJFPAXNGZ-JTQLQIEISA-N 1 0 375.416 2.674 20 0 GFADRO C[C@@H](C(=O)Nc1cccc(Br)c1)N1CCC2(CCOC2=O)CC1 ZINC000371152330 563267052 /nfs/dbraw/zinc/26/70/52/563267052.db2.gz VXBLSULYMMBMPP-LBPRGKRZSA-N 1 0 381.270 2.805 20 0 GFADRO Cc1ncsc1CCS(=O)(=O)N(Cc1ccco1)C1CC[NH+](C)CC1 ZINC000295922302 563268340 /nfs/dbraw/zinc/26/83/40/563268340.db2.gz JTIBYIXTOCGMIR-UHFFFAOYSA-N 1 0 383.539 2.513 20 0 GFADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)c1cccc(Br)c1F ZINC000278824485 563272026 /nfs/dbraw/zinc/27/20/26/563272026.db2.gz IWBHKMPXOUREPN-LBPRGKRZSA-N 1 0 385.277 2.914 20 0 GFADRO C[C@@H](Cc1cccc(Br)c1)NC(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000278980202 563278935 /nfs/dbraw/zinc/27/89/35/563278935.db2.gz JWQNCEVQQBZSIN-AAEUAGOBSA-N 1 0 377.286 2.610 20 0 GFADRO COC[C@@H]([NH2+]CC(=O)Nc1ccc(OC(F)F)c(Cl)c1)[C@H]1CCCO1 ZINC000279032821 563281175 /nfs/dbraw/zinc/28/11/75/563281175.db2.gz ICVBAZWKYAXKKQ-TZMCWYRMSA-N 1 0 378.803 2.664 20 0 GFADRO COc1ccc2c(c1)C[C@H]([NH2+]Cc1ccc(S(C)(=O)=O)c(Cl)c1)CO2 ZINC000296318371 563283082 /nfs/dbraw/zinc/28/30/82/563283082.db2.gz FQOVMIIGOGWKLN-AWEZNQCLSA-N 1 0 381.881 2.845 20 0 GFADRO Cc1nc(SC(F)(F)F)sc1CC(=O)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000296375492 563285319 /nfs/dbraw/zinc/28/53/19/563285319.db2.gz HHOGMMPIBXKXAC-NSHDSACASA-N 1 0 397.488 2.569 20 0 GFADRO O=C(Cc1cccc(I)c1)NCC1CC[NH+](C2CC2)CC1 ZINC000279146952 563285695 /nfs/dbraw/zinc/28/56/95/563285695.db2.gz YZMFMDXWCNGZPO-UHFFFAOYSA-N 1 0 398.288 2.824 20 0 GFADRO C[C@@H]1C[C@H](N(C)C(=O)[C@@H]2CCCN2C(=O)c2ccc(Cl)s2)CC[N@@H+]1C ZINC000371764168 563286517 /nfs/dbraw/zinc/28/65/17/563286517.db2.gz FAMNZJFBBQPZSZ-MCIONIFRSA-N 1 0 383.945 2.947 20 0 GFADRO C[NH+](C)C1(CNC(=O)NC/C=C/c2ccc(Br)cc2)CCOCC1 ZINC000296464937 563288364 /nfs/dbraw/zinc/28/83/64/563288364.db2.gz PVGZPFZJFJYWBQ-ONEGZZNKSA-N 1 0 396.329 2.872 20 0 GFADRO COc1cc(/C=C/C(=O)N2CC[C@H]3CC[N@H+](C)[C@H]3C2)cc(Br)c1O ZINC000371834849 563288798 /nfs/dbraw/zinc/28/87/98/563288798.db2.gz NSMOPTVXOPCUQX-LNMOPNHASA-N 1 0 395.297 2.729 20 0 GFADRO C[NH+](C)[C@@]1(CNC(=O)NCc2ccc(OC(F)F)c(F)c2)CCSC1 ZINC000296477800 563289156 /nfs/dbraw/zinc/28/91/56/563289156.db2.gz OYEOXRIHAPSNLJ-MRXNPFEDSA-N 1 0 377.432 2.664 20 0 GFADRO CC(C)C[C@@H]([NH2+]C[C@]1(O)CCS(=O)(=O)C1)c1cccc(Br)c1 ZINC000296502332 563290031 /nfs/dbraw/zinc/29/00/31/563290031.db2.gz PBVRENXQUOZNLJ-HZPDHXFCSA-N 1 0 390.343 2.676 20 0 GFADRO CC(C)[C@@H](C(=O)NCc1nc(-c2cccc(Br)c2)no1)[NH+](C)C ZINC000279380902 563294348 /nfs/dbraw/zinc/29/43/48/563294348.db2.gz QRQMIRWYOYDBNS-AWEZNQCLSA-N 1 0 381.274 2.702 20 0 GFADRO COC1([C@@H](C)[NH2+]CC(=O)Nc2ccc(C)cc2Br)CCOCC1 ZINC000421035281 563294531 /nfs/dbraw/zinc/29/45/31/563294531.db2.gz OVAKBVBIYDCCQA-CYBMUJFWSA-N 1 0 385.302 2.870 20 0 GFADRO COC1([C@@H](C)[NH2+]CC(=O)N(C)Cc2ccccc2Br)CCOCC1 ZINC000421040450 563294543 /nfs/dbraw/zinc/29/45/43/563294543.db2.gz XDMFQCRSIYKXNY-CQSZACIVSA-N 1 0 399.329 2.581 20 0 GFADRO O=C(NC[C@@H](O)c1cccc(Br)c1)NC1CC[NH+](C2CCC2)CC1 ZINC000296630829 563295158 /nfs/dbraw/zinc/29/51/58/563295158.db2.gz DEJXJOFFCSONJX-QGZVFWFLSA-N 1 0 396.329 2.799 20 0 GFADRO C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1NC(=O)Nc1cccnc1Br ZINC000372104815 563295735 /nfs/dbraw/zinc/29/57/35/563295735.db2.gz BNDOAGAQAFZMKP-RDBSUJKOSA-N 1 0 397.317 2.855 20 0 GFADRO O=C(NCc1noc(-c2cccc(Br)c2)n1)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000279441160 563296289 /nfs/dbraw/zinc/29/62/89/563296289.db2.gz DIBNANUEQJPTLJ-AWEZNQCLSA-N 1 0 391.269 2.742 20 0 GFADRO C[C@H]1C[C@@H](C(=O)NCCOc2ncc(C(F)(F)F)cc2Cl)CC[N@@H+]1C ZINC000279455891 563297056 /nfs/dbraw/zinc/29/70/56/563297056.db2.gz OLICPPPBCWKZSY-QWRGUYRKSA-N 1 0 379.810 2.979 20 0 GFADRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)Nc1nnc2ccc(Br)cn21 ZINC000296703010 563297921 /nfs/dbraw/zinc/29/79/21/563297921.db2.gz CABOXPNRRWCXNM-AAEUAGOBSA-N 1 0 393.289 2.582 20 0 GFADRO C[NH+](C)CCn1nccc1NC(=O)N1CCc2cccc(Br)c2C1 ZINC000296702782 563297949 /nfs/dbraw/zinc/29/79/49/563297949.db2.gz AFSYGHUPGOSHPD-UHFFFAOYSA-N 1 0 392.301 2.797 20 0 GFADRO O=C(NCC[NH+]1CCC(O)CC1)c1ccc(Br)cc1C(F)(F)F ZINC000296753709 563300301 /nfs/dbraw/zinc/30/03/01/563300301.db2.gz BJQCLYVMCWCTIX-UHFFFAOYSA-N 1 0 395.219 2.654 20 0 GFADRO CSC[C@@H](CCO)NC(=O)C1CC[NH+](Cc2ccc(Cl)s2)CC1 ZINC000372323025 563302380 /nfs/dbraw/zinc/30/23/80/563302380.db2.gz BIXXUOKZXBZHFZ-CYBMUJFWSA-N 1 0 376.975 2.844 20 0 GFADRO Cc1c(Br)ccc(C(=O)NCCCC[N@@H+]2CCC[C@@H]2CO)c1F ZINC000279601743 563302968 /nfs/dbraw/zinc/30/29/68/563302968.db2.gz YGBBPLQYBHZJIN-CYBMUJFWSA-N 1 0 387.293 2.863 20 0 GFADRO CCOc1cc(C[NH2+]CC2(S(C)(=O)=O)CC2)cc(Br)c1OC ZINC000279626733 563303638 /nfs/dbraw/zinc/30/36/38/563303638.db2.gz BKIHPCHKZXEXBG-UHFFFAOYSA-N 1 0 392.315 2.523 20 0 GFADRO C[NH+]1CCC2(CCCN2S(=O)(=O)c2cc(Br)ccc2F)CC1 ZINC000372398336 563304779 /nfs/dbraw/zinc/30/47/79/563304779.db2.gz MRHUDGGTZQWCSG-UHFFFAOYSA-N 1 0 391.306 2.837 20 0 GFADRO Cc1cc(C(=O)N[C@@H]2CCC[NH2+]CC2)nn1-c1ccc(Br)cc1 ZINC000372420615 563305620 /nfs/dbraw/zinc/30/56/20/563305620.db2.gz HWHIOPWKPNBNDP-CQSZACIVSA-N 1 0 377.286 2.815 20 0 GFADRO O=C(COc1ccc(Br)cc1F)N1CCCC2(CC[NH2+]CC2)C1 ZINC000372438868 563306066 /nfs/dbraw/zinc/30/60/66/563306066.db2.gz IWMWHRUNGZOZIC-UHFFFAOYSA-N 1 0 385.277 2.959 20 0 GFADRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)Nc1ccc(Br)cc1Cl ZINC000421306875 563306533 /nfs/dbraw/zinc/30/65/33/563306533.db2.gz WSVLTKOWDCHPGQ-NSHDSACASA-N 1 0 388.693 2.594 20 0 GFADRO Cn1cncc1CCC(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000279709370 563307057 /nfs/dbraw/zinc/30/70/57/563307057.db2.gz SIBMGQGMWBTEAQ-UHFFFAOYSA-N 1 0 393.329 2.706 20 0 GFADRO C[C@@H](CC(=O)NCC[NH+]1CCC(O)CC1)c1ccc(F)c(Br)c1 ZINC000296910341 563307584 /nfs/dbraw/zinc/30/75/84/563307584.db2.gz KYTBCDNWDFUMBU-LBPRGKRZSA-N 1 0 387.293 2.655 20 0 GFADRO CCN(C[C@H](O)C(F)(F)F)C(=O)NC[C@@H]1CC[N@H+](C)[C@@H]1c1cccs1 ZINC000372464549 563307972 /nfs/dbraw/zinc/30/79/72/563307972.db2.gz MZFGEVAYHJIUDZ-UBHSHLNASA-N 1 0 379.448 2.696 20 0 GFADRO CCCN1C[C@@H](C[NH2+]Cc2cc(Br)c3c(c2)OCCO3)CC1=O ZINC000421350442 563308503 /nfs/dbraw/zinc/30/85/03/563308503.db2.gz KURVWBBHYLTJSH-CYBMUJFWSA-N 1 0 383.286 2.568 20 0 GFADRO Cc1cc(Br)c(F)cc1NC(=O)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000296932105 563309117 /nfs/dbraw/zinc/30/91/17/563309117.db2.gz QFSKBAXDFQXHCT-GFCCVEGCSA-N 1 0 388.281 2.865 20 0 GFADRO C[N@H+](CCCO)C1CCN(C(=O)c2c(F)ccc(Br)c2F)CC1 ZINC000279806616 563311083 /nfs/dbraw/zinc/31/10/83/563311083.db2.gz IVMLYZFAUDQXEX-UHFFFAOYSA-N 1 0 391.256 2.646 20 0 GFADRO O=C(NCc1nc2cc(Cl)ccc2s1)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000297045088 563314269 /nfs/dbraw/zinc/31/42/69/563314269.db2.gz CHNLZNOTEJZYCZ-CYBMUJFWSA-N 1 0 382.917 2.596 20 0 GFADRO C[C@@H](C1CC[NH+](C)CC1)N(C)S(=O)(=O)c1ccc(OC(F)F)c(F)c1 ZINC000279963732 563316856 /nfs/dbraw/zinc/31/68/56/563316856.db2.gz YLRVIMNKDFJNBQ-NSHDSACASA-N 1 0 380.432 2.778 20 0 GFADRO O=C(c1ccn([C@H]2CCC[NH2+]C2)n1)N1CCc2cc(Br)sc2C1 ZINC000372823176 563319035 /nfs/dbraw/zinc/31/90/35/563319035.db2.gz WSEMKAPEZSQSNL-LBPRGKRZSA-N 1 0 395.326 2.830 20 0 GFADRO Cn1nccc1CN1C[C@@H](F)C[C@H]1C[N@H+](C)Cc1ccc(Br)cn1 ZINC000280062140 563320838 /nfs/dbraw/zinc/32/08/38/563320838.db2.gz YMENLCCJGQOBKO-YOEHRIQHSA-N 1 0 396.308 2.622 20 0 GFADRO CC[NH+]1CCC(N[C@H](C)c2cc(S(N)(=O)=O)c(Cl)cc2Cl)CC1 ZINC000280066052 563321300 /nfs/dbraw/zinc/32/13/00/563321300.db2.gz KTHQABUJWYHHJK-SNVBAGLBSA-N 1 0 380.341 2.776 20 0 GFADRO O=C(Cc1ccccc1I)NC1CC[NH+](C2CCC2)CC1 ZINC000297273709 563322164 /nfs/dbraw/zinc/32/21/64/563322164.db2.gz VURHGMCIGIVJNO-UHFFFAOYSA-N 1 0 398.288 2.967 20 0 GFADRO Cc1c(Br)cc(C(=O)N2CCC[C@@H]([NH+]3CCCCC3)C2)c(=O)n1C ZINC000372965025 563323576 /nfs/dbraw/zinc/32/35/76/563323576.db2.gz JHDZLRKULRVFBT-CQSZACIVSA-N 1 0 396.329 2.547 20 0 GFADRO C[C@@H](CC(=O)N(C)C)[NH2+][C@@H](CO)c1ccc(Br)cc1C(F)(F)F ZINC000280166729 563325207 /nfs/dbraw/zinc/32/52/07/563325207.db2.gz FSGGSLBHQOSRNE-ZANVPECISA-N 1 0 397.235 2.958 20 0 GFADRO [NH3+]C[C@@H]1CCCN(C(=O)[C@H]2CCCN2C(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000297380200 563325476 /nfs/dbraw/zinc/32/54/76/563325476.db2.gz MXCMRASJXKWUON-BLLLJJGKSA-N 1 0 384.307 2.795 20 0 GFADRO CCOc1cc(CN2CCO[C@@H]3CC[N@H+](CC)C[C@@H]32)cc(Br)c1O ZINC000297503027 563327821 /nfs/dbraw/zinc/32/78/21/563327821.db2.gz VEWYGKXHFXPUJU-JKSUJKDBSA-N 1 0 399.329 2.848 20 0 GFADRO Cn1cc([C@@H]2[C@H](CNC(=O)c3ccoc3Br)CCC[N@@H+]2C)cn1 ZINC000373106166 563328633 /nfs/dbraw/zinc/32/86/33/563328633.db2.gz GEEKMUALINMRAT-FZMZJTMJSA-N 1 0 381.274 2.589 20 0 GFADRO COc1ccc2c(c1)[C@@H]([NH3+])CCN2S(=O)(=O)c1ccc(Cl)nc1Cl ZINC000373171829 563330416 /nfs/dbraw/zinc/33/04/16/563330416.db2.gz CLKBQZPODXHNFU-NSHDSACASA-N 1 0 388.276 2.996 20 0 GFADRO COC(=O)c1cc(NC(=O)N2CC[C@H]3CC[N@H+](C)[C@H]3C2)ccc1Br ZINC000373183796 563331442 /nfs/dbraw/zinc/33/14/42/563331442.db2.gz AAHUZFIUJRAYGQ-ABAIWWIYSA-N 1 0 396.285 2.794 20 0 GFADRO C[NH+]1CCC(n2ccc(NC(=O)c3cc(Br)ccc3F)n2)CC1 ZINC000373236122 563332779 /nfs/dbraw/zinc/33/27/79/563332779.db2.gz GMRLDKRITVANOP-UHFFFAOYSA-N 1 0 381.249 3.304 20 0 GFADRO CCn1cc(Br)cc1C(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC000373248773 563333037 /nfs/dbraw/zinc/33/30/37/563333037.db2.gz ZIJGWHMTVNVVBR-CYBMUJFWSA-N 1 0 384.318 2.596 20 0 GFADRO Nc1c(Cl)cc(NC(=O)C(=O)NC2CC[NH+](CC3CC3)CC2)cc1Cl ZINC000297778530 563335826 /nfs/dbraw/zinc/33/58/26/563335826.db2.gz GPNQWJGTWIXVHL-UHFFFAOYSA-N 1 0 385.295 2.505 20 0 GFADRO O=C(CSc1nncs1)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000373419398 563337681 /nfs/dbraw/zinc/33/76/81/563337681.db2.gz VTFWMESUFIBXFH-UHFFFAOYSA-N 1 0 380.461 2.552 20 0 GFADRO CS[C@@H](CNC(=O)C(=O)N(CC[NH+](C)C)Cc1ccsc1)C(C)(C)C ZINC000422405413 563339053 /nfs/dbraw/zinc/33/90/53/563339053.db2.gz HIQYZBQYDSLZKC-HNNXBMFYSA-N 1 0 385.599 2.532 20 0 GFADRO CC1CC[NH+](CCCNC(=O)C(=O)Nc2cc(Cl)c(N)c(Cl)c2)CC1 ZINC000297886352 563339075 /nfs/dbraw/zinc/33/90/75/563339075.db2.gz NUDRLZRUOIKBFY-UHFFFAOYSA-N 1 0 387.311 2.752 20 0 GFADRO COc1cc(Cl)c(S(=O)(=O)N2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)cc1Cl ZINC000422555522 563342613 /nfs/dbraw/zinc/34/26/13/563342613.db2.gz QFADECDJOIKPGS-DCAQKATOSA-N 1 0 381.325 2.996 20 0 GFADRO COc1cc(Cl)c(S(=O)(=O)N2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)cc1Cl ZINC000422555524 563342847 /nfs/dbraw/zinc/34/28/47/563342847.db2.gz QFADECDJOIKPGS-VWYCJHECSA-N 1 0 381.325 2.996 20 0 GFADRO C[C@@H]1C[C@@H](C)N(CC(=O)N(C)Cc2cc(Br)cs2)C[C@H]1C[NH3+] ZINC000422639398 563345120 /nfs/dbraw/zinc/34/51/20/563345120.db2.gz SRCBWCHNRAZGPF-JHJVBQTASA-N 1 0 388.375 2.774 20 0 GFADRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)N(C)Cc1c(Cl)cccc1Cl ZINC000298151805 563346447 /nfs/dbraw/zinc/34/64/47/563346447.db2.gz YYRRWNGHRPNDEG-LRDDRELGSA-N 1 0 386.323 2.750 20 0 GFADRO C[C@@H]1C[N@H+](C[C@H](O)COc2cc(Cl)ccc2Cl)C[C@@]2(CCOC2)O1 ZINC000280648806 563347798 /nfs/dbraw/zinc/34/77/98/563347798.db2.gz YYDSMCKRHHIVQM-HACGYAERSA-N 1 0 376.280 2.613 20 0 GFADRO C[C@H](CNC(=O)Nc1cc(Br)cc(C(=O)N2CCCC2)c1)[NH+](C)C ZINC000280657715 563348333 /nfs/dbraw/zinc/34/83/33/563348333.db2.gz OHGXREOEYLFKBH-GFCCVEGCSA-N 1 0 397.317 2.757 20 0 GFADRO C[C@@H]([NH2+]CCCNC(=O)c1cccc(Br)c1)c1cnccc1N ZINC000422863810 563350034 /nfs/dbraw/zinc/35/00/34/563350034.db2.gz SGURKSFAPKVQSV-GFCCVEGCSA-N 1 0 377.286 2.727 20 0 GFADRO Cn1nc(Br)cc1C(=O)NC[C@H]1CC[N@H+](C)[C@@H]1c1cccs1 ZINC000373794908 563351089 /nfs/dbraw/zinc/35/10/89/563351089.db2.gz KAKYCCPOPNRXNL-YGRLFVJLSA-N 1 0 383.315 2.667 20 0 GFADRO Cn1cnnc1Sc1ccc(NC(=O)[C@@]23CCC[C@@H]2C[NH2+]C3)cc1Cl ZINC000280722404 563351799 /nfs/dbraw/zinc/35/17/99/563351799.db2.gz FUFZTRZDSMLLOH-PIGZYNQJSA-N 1 0 377.901 2.948 20 0 GFADRO [NH3+]CCCCn1cc(C(=O)N(Cc2cccc(Br)c2)C2CC2)nn1 ZINC000422973948 563352365 /nfs/dbraw/zinc/35/23/65/563352365.db2.gz CZMGSZUMHLTZTP-UHFFFAOYSA-N 1 0 392.301 2.584 20 0 GFADRO CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000423009971 563352685 /nfs/dbraw/zinc/35/26/85/563352685.db2.gz FGSDLOWUEWGQBS-HNNXBMFYSA-N 1 0 383.945 2.741 20 0 GFADRO Cc1nc(NC(=O)C(C)(C)[C@H]([NH3+])c2ccccc2)sc1SCC(N)=O ZINC000423024767 563353125 /nfs/dbraw/zinc/35/31/25/563353125.db2.gz MNLCPUULQJTMLK-CYBMUJFWSA-N 1 0 378.523 2.694 20 0 GFADRO COC(=O)C1(O)CCN(c2ccnc3c(Br)ccc(F)c23)CC1 ZINC000373873870 563353865 /nfs/dbraw/zinc/35/38/65/563353865.db2.gz XQONTICXFNBKFL-UHFFFAOYSA-N 1 0 383.217 2.641 20 0 GFADRO Cn1ccnc1N1CCC(NC(=O)COc2cc(Cl)ccc2Cl)CC1 ZINC000373882749 563353908 /nfs/dbraw/zinc/35/39/08/563353908.db2.gz RJXZHAWOQIXKAD-UHFFFAOYSA-N 1 0 383.279 2.891 20 0 GFADRO C[C@@H]([NH3+])[C@@H](Cc1ccccc1)NCC(=O)Nc1cccc(Br)c1 ZINC000423051130 563354242 /nfs/dbraw/zinc/35/42/42/563354242.db2.gz ZWMQLYUQOFYUTF-CXAGYDPISA-N 1 0 376.298 2.936 20 0 GFADRO C[C@@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)[N@@H+]1CC[C@](C)(C(N)=O)C1 ZINC000280788963 563354506 /nfs/dbraw/zinc/35/45/06/563354506.db2.gz QVLALBFWZJTGOG-VFZGTOFNSA-N 1 0 377.794 2.883 20 0 GFADRO [NH3+][C@H]1CCCCC[C@@H]1NCCNS(=O)(=O)c1cccc(Cl)c1Cl ZINC000423097961 563355658 /nfs/dbraw/zinc/35/56/58/563355658.db2.gz BTDDRUCGHMPYKV-STQMWFEESA-N 1 0 380.341 2.521 20 0 GFADRO CC[C@@H]([NH2+]CCCc1cnn(C)c1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000280816653 563356222 /nfs/dbraw/zinc/35/62/22/563356222.db2.gz JTNZEPKPRGCJPY-MRXNPFEDSA-N 1 0 384.933 2.655 20 0 GFADRO CCS(=O)(=O)c1ccc(CNC(=O)NCC[C@H](C)[NH+]2CCCCC2)s1 ZINC000280836172 563356730 /nfs/dbraw/zinc/35/67/30/563356730.db2.gz JBXXJRKLRJAAGA-AWEZNQCLSA-N 1 0 387.571 2.605 20 0 GFADRO COc1cc(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc(OC)c1Br ZINC000298495451 563357562 /nfs/dbraw/zinc/35/75/62/563357562.db2.gz LSTMWCUMXOCDMY-OLZOCXBDSA-N 1 0 383.286 2.823 20 0 GFADRO C[NH2+]C[C@H]1CCN(C(=O)C(=O)N(Cc2ccc(Cl)c(Cl)c2)C2CC2)C1 ZINC000423172656 563357971 /nfs/dbraw/zinc/35/79/71/563357971.db2.gz UOYJSZLFPOKOKZ-CYBMUJFWSA-N 1 0 384.307 2.552 20 0 GFADRO C[NH2+]CCc1ccccc1C(=O)N1CCC(n2cc(Br)cn2)CC1 ZINC000423187740 563358548 /nfs/dbraw/zinc/35/85/48/563358548.db2.gz PJFSHALLENUBFE-UHFFFAOYSA-N 1 0 391.313 2.885 20 0 GFADRO C[C@@H]([NH2+][C@H](CO)CC(C)(C)C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000280879114 563358805 /nfs/dbraw/zinc/35/88/05/563358805.db2.gz CNQFSUNQWHOTKK-PWSUYJOCSA-N 1 0 393.347 2.544 20 0 GFADRO C[C@H](N[C@@H]1CCCC[C@@H]1C[NH3+])c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000423278699 563359351 /nfs/dbraw/zinc/35/93/51/563359351.db2.gz QFKUFNXFMOSYAF-IMSIIYSGSA-N 1 0 380.341 2.809 20 0 GFADRO CC(C)C[C@H](C[NH3+])N[C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000423260411 563359405 /nfs/dbraw/zinc/35/94/05/563359405.db2.gz HJHLSKSNUKTFBZ-OCCSQVGLSA-N 1 0 375.332 2.631 20 0 GFADRO [NH3+][C@@H](C(=O)Nc1ccc(CCn2cc(Br)cn2)cc1)C1CCC1 ZINC000423237531 563359412 /nfs/dbraw/zinc/35/94/12/563359412.db2.gz UHTDOOXXEORRGS-MRXNPFEDSA-N 1 0 377.286 2.954 20 0 GFADRO CCCC[C@H](C[NH3+])N[C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000423300160 563359436 /nfs/dbraw/zinc/35/94/36/563359436.db2.gz QZHJAYPSUWMLHD-TZMCWYRMSA-N 1 0 375.332 2.775 20 0 GFADRO COC(=O)C[C@H]([NH3+])C(=O)N[C@@H](C)c1nc(-c2ccc(Cl)cc2)c(C)s1 ZINC000423255096 563359485 /nfs/dbraw/zinc/35/94/85/563359485.db2.gz ASUZNKMJGFWDNT-ZANVPECISA-N 1 0 381.885 2.840 20 0 GFADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C1(c2cncc(Br)c2)CC1 ZINC000280912245 563360193 /nfs/dbraw/zinc/36/01/93/563360193.db2.gz ACYYHMMMSVBPON-CVEARBPZSA-N 1 0 378.314 2.961 20 0 GFADRO C[C@@H](NC[C@@H]1C[NH2+]CCN1C)c1ccc(Br)cc1Br ZINC000423482246 563361424 /nfs/dbraw/zinc/36/14/24/563361424.db2.gz RHJVCLSDZLUMTC-PWSUYJOCSA-N 1 0 391.151 2.766 20 0 GFADRO CS(=O)(=O)Cc1nc(CN2CCC[N@H+](CC3CCCCC3)CC2)cs1 ZINC000374108762 563361860 /nfs/dbraw/zinc/36/18/60/563361860.db2.gz QVJVDUVWCVYTLE-UHFFFAOYSA-N 1 0 385.599 2.776 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N2CCc3cc(Cl)cc(Cl)c3[C@H]2C)C1 ZINC000423554165 563362217 /nfs/dbraw/zinc/36/22/17/563362217.db2.gz LFEQZXOZNKEMRY-DMDPSCGWSA-N 1 0 384.307 2.635 20 0 GFADRO O=C(Nc1cc(C(F)(F)F)ccc1Cl)C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000423558681 563362260 /nfs/dbraw/zinc/36/22/60/563362260.db2.gz JKMQKKXGFFRCGT-UHFFFAOYSA-N 1 0 375.778 2.652 20 0 GFADRO Cc1ccc(Br)cc1CNC(=O)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000423854154 563364035 /nfs/dbraw/zinc/36/40/35/563364035.db2.gz VCIKPMUABYMNGP-MRXNPFEDSA-N 1 0 377.286 2.809 20 0 GFADRO O=C(CCc1ccccc1Br)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000423942419 563364757 /nfs/dbraw/zinc/36/47/57/563364757.db2.gz AXYWBSHTLVFNJX-UHFFFAOYSA-N 1 0 394.357 2.714 20 0 GFADRO COc1cc(Cl)c(Cl)cc1C(=O)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000423943271 563364963 /nfs/dbraw/zinc/36/49/63/563364963.db2.gz CRKCNFJBSKVJRG-UHFFFAOYSA-N 1 0 386.323 2.948 20 0 GFADRO C[C@@H]1CN(C(=O)c2ccc(F)cc2Br)CCN1C1CC[NH+](C)CC1 ZINC000374256358 563366225 /nfs/dbraw/zinc/36/62/25/563366225.db2.gz VRNDVXRRMRGZAC-CYBMUJFWSA-N 1 0 398.320 2.829 20 0 GFADRO Cc1sc(C(=O)N[C@H](CCC[NH3+])c2ccccc2)cc1CS(C)(=O)=O ZINC000423980112 563366335 /nfs/dbraw/zinc/36/63/35/563366335.db2.gz YIOUTBIDZNDWJP-MRXNPFEDSA-N 1 0 380.535 2.811 20 0 GFADRO CC[NH+](CC)CCOc1ccccc1CNC(=O)CSc1nncs1 ZINC000298806919 563366703 /nfs/dbraw/zinc/36/67/03/563366703.db2.gz QJPAYLRNMLAPSY-UHFFFAOYSA-N 1 0 380.539 2.667 20 0 GFADRO CCN(CC)S(=O)(=O)c1ccc(CC[NH2+][C@@H]2CCC23CCOCC3)s1 ZINC000374279294 563366752 /nfs/dbraw/zinc/36/67/52/563366752.db2.gz JVYBDOSHHAGTEU-MRXNPFEDSA-N 1 0 386.583 2.870 20 0 GFADRO C[C@@H]1CCN(C(=O)c2cc(F)c(F)cc2I)C[C@@H]1C[NH3+] ZINC000424004300 563366990 /nfs/dbraw/zinc/36/69/90/563366990.db2.gz FEFNOMDVXNWBHD-BDAKNGLRSA-N 1 0 394.203 2.626 20 0 GFADRO CCC(O)(CC)CC[NH2+][C@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000281158538 563367865 /nfs/dbraw/zinc/36/78/65/563367865.db2.gz PQQHKGQKGPTMDY-LLVKDONJSA-N 1 0 393.347 2.688 20 0 GFADRO CNC(=O)[C@@]1(C)CC[N@H+](Cc2ccnc(-c3ccc(Br)cc3)n2)C1 ZINC000281217538 563369785 /nfs/dbraw/zinc/36/97/85/563369785.db2.gz STTLWVSYHGUESI-SFHVURJKSA-N 1 0 389.297 2.864 20 0 GFADRO C[C@@H]1C[C@@H](C)N(C(=O)Cc2ccc(I)cc2)C[C@@H]1C[NH3+] ZINC000424082129 563370253 /nfs/dbraw/zinc/37/02/53/563370253.db2.gz XHMXFUWDBQFVED-BZPMIXESSA-N 1 0 386.277 2.666 20 0 GFADRO COc1cc([C@H](C)[NH2+][C@H](CO)CC2CCC2)ccc1S(=O)(=O)C(F)F ZINC000281230192 563370709 /nfs/dbraw/zinc/37/07/09/563370709.db2.gz UQHBWROIHNPDBE-FZMZJTMJSA-N 1 0 377.453 2.893 20 0 GFADRO CNC(=O)[C@]1(C)CC[N@H+](Cc2cc(Br)c3c(c2)OCCCO3)C1 ZINC000281259274 563371107 /nfs/dbraw/zinc/37/11/07/563371107.db2.gz XWPFWEUHPNSLTP-QGZVFWFLSA-N 1 0 383.286 2.568 20 0 GFADRO C[C@H]([NH2+]CC1(S(C)(=O)=O)CCC1)c1ccc(I)cc1 ZINC000281299985 563372584 /nfs/dbraw/zinc/37/25/84/563372584.db2.gz YPQHMLFWYGEDDM-NSHDSACASA-N 1 0 393.290 2.909 20 0 GFADRO CN(Cc1ccc(I)c(Cl)c1)[C@H]1CCS(=O)(=O)C1 ZINC000281304387 563372861 /nfs/dbraw/zinc/37/28/61/563372861.db2.gz NTCLLEAGGKGOER-JTQLQIEISA-N 1 0 399.681 2.564 20 0 GFADRO COC(=O)CC1CC([NH2+]C[C@H](CO)Cc2ccc(F)c(Br)c2)C1 ZINC000424335298 563376058 /nfs/dbraw/zinc/37/60/58/563376058.db2.gz PEBCILFNNKYLHZ-ROKHWSDSSA-N 1 0 388.277 2.671 20 0 GFADRO CO[C@H]1C[C@H]2C[C@@H]([NH2+]C[C@@H](O)COc3ccccc3Br)C[C@H]2C1 ZINC000424305862 563376207 /nfs/dbraw/zinc/37/62/07/563376207.db2.gz TYHDSNOUVFXVQP-JKJDWNRSSA-N 1 0 384.314 2.982 20 0 GFADRO Cc1sc2ncnc(SCC(=O)N3C[C@@H]4CCC[C@H]([NH3+])[C@@H]4C3)c2c1C ZINC000374606157 563377536 /nfs/dbraw/zinc/37/75/36/563377536.db2.gz RKTJBSIPPZBLBG-MJBXVCDLSA-N 1 0 376.551 2.986 20 0 GFADRO O=C(Cn1cc(Br)cn1)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000299228286 563378579 /nfs/dbraw/zinc/37/85/79/563378579.db2.gz QLBZFIRCJPKYPH-UHFFFAOYSA-N 1 0 391.313 2.674 20 0 GFADRO Cc1cc(Br)cn2cc(CCNC(=O)N[C@@H]3CCCC[C@H]3[NH3+])nc12 ZINC000424463345 563379240 /nfs/dbraw/zinc/37/92/40/563379240.db2.gz NZMQHPREUGLYAL-HUUCEWRRSA-N 1 0 394.317 2.517 20 0 GFADRO [NH3+][C@@H]1CCCC[C@H]1NC(=O)N[C@H]1CCN(c2ccccc2Br)C1 ZINC000424468608 563379561 /nfs/dbraw/zinc/37/95/61/563379561.db2.gz YIJUDLJGFQKBOO-NWANDNLSSA-N 1 0 381.318 2.597 20 0 GFADRO C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@@H](C)C(=O)N1CCCC1 ZINC000281603097 563380569 /nfs/dbraw/zinc/38/05/69/563380569.db2.gz MGAZBZYSQRXUSA-STQMWFEESA-N 1 0 382.302 2.767 20 0 GFADRO Cc1nnsc1C(=O)Nc1cc(Br)ccc1N1CC[NH+](C)CC1 ZINC000299296914 563380800 /nfs/dbraw/zinc/38/08/00/563380800.db2.gz XGIQIJCSFSFKDZ-UHFFFAOYSA-N 1 0 396.314 2.613 20 0 GFADRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)C(=O)Nc1cc(Cl)c(N)c(Cl)c1 ZINC000299337607 563381955 /nfs/dbraw/zinc/38/19/55/563381955.db2.gz OQJGANSTBBNNKX-IINYFYTJSA-N 1 0 385.295 2.599 20 0 GFADRO Cn1c(Cl)cnc1C[NH2+]C[C@@H](CO)Cc1ccc(OC(F)(F)F)cc1 ZINC000281665287 563382548 /nfs/dbraw/zinc/38/25/48/563382548.db2.gz LCDAWPCMTXFGCO-LBPRGKRZSA-N 1 0 377.794 2.913 20 0 GFADRO Cc1cc(NC(=O)C(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)cc(F)c1Br ZINC000299519532 563384703 /nfs/dbraw/zinc/38/47/03/563384703.db2.gz CTTVJKFWMRKCHF-NSHDSACASA-N 1 0 398.276 2.602 20 0 GFADRO C[NH+](C)CC1CCN(C(=O)Cc2noc3ccc(Br)cc32)CC1 ZINC000424656132 563385612 /nfs/dbraw/zinc/38/56/12/563385612.db2.gz LIBLCMPELNQDMT-UHFFFAOYSA-N 1 0 380.286 2.933 20 0 GFADRO C[N@@H+]1CC[C@H]2CCN(C(=O)c3cnn(-c4cccc(Br)c4)c3)[C@@H]2C1 ZINC000374921663 563385695 /nfs/dbraw/zinc/38/56/95/563385695.db2.gz YUZQHZYHJPBHTE-SUMWQHHRSA-N 1 0 389.297 2.801 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1cc(F)ccc1I ZINC000299577063 563386394 /nfs/dbraw/zinc/38/63/94/563386394.db2.gz CVAOZOBBJBXWFN-ZIAGYGMSSA-N 1 0 388.224 2.787 20 0 GFADRO CN(C(=O)c1cc(F)ccc1I)C1CC[NH+](C)CC1 ZINC000299594765 563387393 /nfs/dbraw/zinc/38/73/93/563387393.db2.gz GHNYBBZCUSXCLF-UHFFFAOYSA-N 1 0 376.213 2.597 20 0 GFADRO C[C@H](Cc1ccc(Br)cc1)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000281885232 563389135 /nfs/dbraw/zinc/38/91/35/563389135.db2.gz XOUCPJAQRDCHQQ-OAHLLOKOSA-N 1 0 396.373 2.770 20 0 GFADRO C[NH+](C)CC(C)(C)CNC(=O)c1cc(F)ccc1I ZINC000299692316 563389201 /nfs/dbraw/zinc/38/92/01/563389201.db2.gz ZYZKUQYVVYVKNB-UHFFFAOYSA-N 1 0 378.229 2.748 20 0 GFADRO Cc1oc(Br)cc1C(=O)NC[C@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000424761105 563390714 /nfs/dbraw/zinc/39/07/14/563390714.db2.gz XMUUAHBOFBSLNY-CABCVRRESA-N 1 0 393.281 2.716 20 0 GFADRO Brc1ccccc1-n1nnnc1C[NH2+][C@@H]1CCCC12CCOCC2 ZINC000281935868 563391191 /nfs/dbraw/zinc/39/11/91/563391191.db2.gz DRKWNXVCOAJLMD-OAHLLOKOSA-N 1 0 392.301 2.864 20 0 GFADRO C[NH+]1CCC(n2ccc(NC(=O)c3cnc(Br)c(Cl)c3)n2)CC1 ZINC000375161949 563392679 /nfs/dbraw/zinc/39/26/79/563392679.db2.gz UQJHYAKBNUZHJU-UHFFFAOYSA-N 1 0 398.692 3.213 20 0 GFADRO [NH3+]CC[C@@H]1CCCN(C(=O)c2nn(-c3ccc(F)cc3)cc2Br)C1 ZINC000282036615 563395189 /nfs/dbraw/zinc/39/51/89/563395189.db2.gz UHPGUFZMRJMSNV-LBPRGKRZSA-N 1 0 395.276 2.975 20 0 GFADRO [NH3+]CC[C@@H]1CCCN(C(=O)c2c(F)cccc2I)C1 ZINC000282039088 563395268 /nfs/dbraw/zinc/39/52/68/563395268.db2.gz UMLNVGWHUQUCAS-JTQLQIEISA-N 1 0 376.213 2.631 20 0 GFADRO C[C@@H](CNc1ccc(S(N)(=O)=O)cc1C(F)(F)F)[N@@H+]1CCC[C@H](C)C1 ZINC000301373554 563401366 /nfs/dbraw/zinc/40/13/66/563401366.db2.gz QNEXVKPTHBJBOH-RYUDHWBXSA-N 1 0 379.448 2.885 20 0 GFADRO Cc1nc(CO[C@@H]2CCN(CC(=O)N3CCc4sccc4C3)C2)cs1 ZINC000375387703 563402844 /nfs/dbraw/zinc/40/28/44/563402844.db2.gz AZNSUSZYMROZEZ-MRXNPFEDSA-N 1 0 377.535 2.689 20 0 GFADRO Cc1ccc(I)cc1C(=O)N1CCC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000425055249 563402975 /nfs/dbraw/zinc/40/29/75/563402975.db2.gz GVMIXKNDKAOHHG-SWLSCSKDSA-N 1 0 384.261 2.766 20 0 GFADRO C[C@@H]1OCC[C@@H]1C(=O)Nc1cc(Br)ccc1N(C)CC[NH+](C)C ZINC000425095161 563403470 /nfs/dbraw/zinc/40/34/70/563403470.db2.gz AIAALRUDFASUPW-JSGCOSHPSA-N 1 0 384.318 2.810 20 0 GFADRO CN(CC[NH+](C)C)c1ccc(Br)cc1NC(=O)CCn1ccnc1 ZINC000425100201 563404139 /nfs/dbraw/zinc/40/41/39/563404139.db2.gz SPWSTXXPWHJKCG-UHFFFAOYSA-N 1 0 394.317 2.672 20 0 GFADRO Cn1cncc1[C@@H]1NC(=O)CC[C@H]1[NH2+][C@H]1CCc2c1cccc2Br ZINC000375504662 563407504 /nfs/dbraw/zinc/40/75/04/563407504.db2.gz HWVVCROVRVMVPR-HDMKZQKVSA-N 1 0 389.297 2.779 20 0 GFADRO C[C@@H]([NH2+][C@@H]1CCC(=O)N[C@H]1c1cncn1C)c1ccc(F)c(Br)c1 ZINC000375512388 563407836 /nfs/dbraw/zinc/40/78/36/563407836.db2.gz NFLACQOGXCYGMQ-LGFNAOKASA-N 1 0 395.276 2.992 20 0 GFADRO CCOc1cc(C[NH2+][C@@H](C)C(=O)N2CCCC2)cc(Br)c1OC ZINC000282386692 563409467 /nfs/dbraw/zinc/40/94/67/563409467.db2.gz XSOKDJXKZWFQGD-LBPRGKRZSA-N 1 0 385.302 2.957 20 0 GFADRO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)N1CCC=C(Br)C1 ZINC000282435494 563411452 /nfs/dbraw/zinc/41/14/52/563411452.db2.gz NGVDDVYEKNCRCL-UHFFFAOYSA-N 1 0 379.302 2.992 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cc(Br)cnc1OCC1CC1 ZINC000375607118 563411584 /nfs/dbraw/zinc/41/15/84/563411584.db2.gz RIGYUQCBVAZUQG-HUUCEWRRSA-N 1 0 394.313 2.990 20 0 GFADRO COc1cc2[nH+]ccc(NCC(=O)NCC(F)(F)F)c2cc1Br ZINC000425218443 563412185 /nfs/dbraw/zinc/41/21/85/563412185.db2.gz YIROKHCEFCUZCD-UHFFFAOYSA-N 1 0 392.175 2.518 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+]CC1([S@@](C)=O)CC1 ZINC000282519092 563414517 /nfs/dbraw/zinc/41/45/17/563414517.db2.gz YASABZKEHVHZDV-JOCHJYFZSA-N 1 0 382.327 2.944 20 0 GFADRO C[C@@H]1CN(C(=O)c2cc(Br)ccc2F)CCN1C1CC[NH+](C)CC1 ZINC000375789798 563418694 /nfs/dbraw/zinc/41/86/94/563418694.db2.gz JUHMCNVQOIWNAU-CYBMUJFWSA-N 1 0 398.320 2.829 20 0 GFADRO O=S(=O)(c1cccs1)N1CC[C@H](C[NH2+][C@H]2CCCC23CCOCC3)C1 ZINC000375840095 563420641 /nfs/dbraw/zinc/42/06/41/563420641.db2.gz OKDUFKVIONVNND-CVEARBPZSA-N 1 0 384.567 2.698 20 0 GFADRO C[NH+](C)C[C@@H]1CCN(C(=O)C2(c3ccc(I)cc3)CC2)C1 ZINC000282784629 563424243 /nfs/dbraw/zinc/42/42/43/563424243.db2.gz PUISZPJSWMWBMD-ZDUSSCGKSA-N 1 0 398.288 2.733 20 0 GFADRO COC(=O)[C@@H]1C[N@H+](CCc2ccnn2C)C[C@H]1c1ccc(Br)cc1 ZINC000425520346 563426675 /nfs/dbraw/zinc/42/66/75/563426675.db2.gz QRMZOWOLHOLDKC-DLBZAZTESA-N 1 0 392.297 2.614 20 0 GFADRO C[C@@H](NC(=O)Nc1cnc2c(Br)cccn12)C1=CC[N@H+](C)CC1 ZINC000425668891 563430501 /nfs/dbraw/zinc/43/05/01/563430501.db2.gz APYDZZATGKTMKZ-LLVKDONJSA-N 1 0 378.274 2.869 20 0 GFADRO C[C@H](N[C@@H](C[NH+](C)C)c1ccc(Cl)cc1)c1cccc(S(N)(=O)=O)c1 ZINC000282951978 563430901 /nfs/dbraw/zinc/43/09/01/563430901.db2.gz CAPNEDPCQVQLDW-UGSOOPFHSA-N 1 0 381.929 2.941 20 0 GFADRO COC(=O)c1cccc(NC(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)c1Br ZINC000425679375 563431870 /nfs/dbraw/zinc/43/18/70/563431870.db2.gz HUZVTXKBRIWVCI-SMDDNHRTSA-N 1 0 396.285 2.794 20 0 GFADRO C[NH+]1CCN(C[C@@H]2CCCN(c3nc(C(Cl)(Cl)Cl)ns3)C2)CC1 ZINC000376184524 563432647 /nfs/dbraw/zinc/43/26/47/563432647.db2.gz BJBHXOFIPPPPJJ-NSHDSACASA-N 1 0 398.791 2.829 20 0 GFADRO Cc1cc(NC(=O)[C@H]2C[C@]23CC[NH2+]C3)n(-c2cccc(Br)c2)n1 ZINC000376245542 563434191 /nfs/dbraw/zinc/43/41/91/563434191.db2.gz SHYUAPSLRNHHNC-PBHICJAKSA-N 1 0 375.270 2.881 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)C(=O)N1CCC[C@H]2C[N@H+](C)C[C@H]21 ZINC000425814506 563438550 /nfs/dbraw/zinc/43/85/50/563438550.db2.gz BVMUEHFJMXETFP-XJKSGUPXSA-N 1 0 394.313 2.503 20 0 GFADRO Cc1nc(NC[C@@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)ccc1Br ZINC000376357286 563439190 /nfs/dbraw/zinc/43/91/90/563439190.db2.gz XKRFFOVCELSFSH-SUMWQHHRSA-N 1 0 378.318 3.381 20 0 GFADRO Oc1ccc(Br)c(C[NH2+]CCn2cc(Br)cn2)c1 ZINC000315403443 563440959 /nfs/dbraw/zinc/44/09/59/563440959.db2.gz JYUGLIGJOZRCDV-UHFFFAOYSA-N 1 0 375.064 2.904 20 0 GFADRO CCOc1ccc(Br)cc1S(=O)(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000316114427 563441683 /nfs/dbraw/zinc/44/16/83/563441683.db2.gz NQWCLLULXFSPEB-LBPRGKRZSA-N 1 0 391.331 2.597 20 0 GFADRO [NH3+][C@H]1CCC[C@@]12CCN(C(=O)c1cc(F)ccc1I)C2 ZINC000376457886 563443235 /nfs/dbraw/zinc/44/32/35/563443235.db2.gz KXUAPIISJAANRM-ZFWWWQNUSA-N 1 0 388.224 2.774 20 0 GFADRO Cc1cc(NC(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc(C)c1Br ZINC000426107836 563443488 /nfs/dbraw/zinc/44/34/88/563443488.db2.gz BVMSTWJIZHFCRI-DZGCQCFKSA-N 1 0 394.313 2.747 20 0 GFADRO O=C(NCC(F)(F)F)[C@H]1CC[N@H+](Cc2cc(Cl)c3c(c2)OCCO3)C1 ZINC000426145864 563444860 /nfs/dbraw/zinc/44/48/60/563444860.db2.gz OOAODHFFBLCWPA-NSHDSACASA-N 1 0 378.778 2.612 20 0 GFADRO O[C@@H](C[NH2+]Cc1cccc2c1OCO2)COc1cccc(Br)c1 ZINC000320359884 563446462 /nfs/dbraw/zinc/44/64/62/563446462.db2.gz MNWJPGYDPWITEO-AWEZNQCLSA-N 1 0 380.238 2.707 20 0 GFADRO C[C@H]1CC[N@H+](C)CCN1C(=O)c1cc(=O)[nH]c2c(Br)cccc12 ZINC000426224144 563447178 /nfs/dbraw/zinc/44/71/78/563447178.db2.gz GKNVXVMSWJLSBN-NSHDSACASA-N 1 0 378.270 2.869 20 0 GFADRO [NH3+]C[C@@H]1CCCC[C@]12NC(=O)N(Cc1cc(F)cc(Br)c1)C2=O ZINC000321356986 563447949 /nfs/dbraw/zinc/44/79/49/563447949.db2.gz XXUBVBUYBIXZNA-ZBEGNZNMSA-N 1 0 384.249 2.528 20 0 GFADRO Ic1cccc(C[NH2+]C2CCN(c3ncccn3)CC2)c1 ZINC000376635332 563448627 /nfs/dbraw/zinc/44/86/27/563448627.db2.gz VABKFLOZWBVVTG-UHFFFAOYSA-N 1 0 394.260 2.840 20 0 GFADRO C[C@H]1CC[N@H+](C)CCN1C(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000426426830 563450123 /nfs/dbraw/zinc/45/01/23/563450123.db2.gz JPPZGVIDQUBWEA-GOEBONIOSA-N 1 0 395.345 2.763 20 0 GFADRO CN(CCN1CC[NH2+]CC1)C(=O)c1ccc2cc(Br)ccc2c1 ZINC000322858951 563450708 /nfs/dbraw/zinc/45/07/08/563450708.db2.gz ULTMOKKQIDZWRG-UHFFFAOYSA-N 1 0 376.298 2.580 20 0 GFADRO COC[C@]1(CNC(=O)c2ccc(Br)c(C(F)(F)F)c2)CCC[NH2+]1 ZINC000324079625 563451676 /nfs/dbraw/zinc/45/16/76/563451676.db2.gz YUDAXGFUNNKVIU-CQSZACIVSA-N 1 0 395.219 2.966 20 0 GFADRO CC(C)(C)C(=O)NCCNC(=O)C1CC[NH+](Cc2ccc(Cl)s2)CC1 ZINC000376738002 563452979 /nfs/dbraw/zinc/45/29/79/563452979.db2.gz RKNAWINOPLKXGD-UHFFFAOYSA-N 1 0 385.961 2.892 20 0 GFADRO CNS(=O)(=O)CCCN1CCC[C@H]1c1nc(-c2ccc(Cl)cc2)c[nH]1 ZINC000426996264 563458064 /nfs/dbraw/zinc/45/80/64/563458064.db2.gz YWMTVOYBNLGTKZ-INIZCTEOSA-N 1 0 382.917 2.806 20 0 GFADRO C[N@H+](CC(=O)N1CCC[C@@H](c2nc(C(F)(F)F)c[nH]2)C1)[C@@H]1CCSC1 ZINC000328598407 563461713 /nfs/dbraw/zinc/46/17/13/563461713.db2.gz BCGPFKHERVMBJT-VXGBXAGGSA-N 1 0 376.448 2.572 20 0 GFADRO [NH3+]C[C@@H]1CCN(C(=O)[C@H]2CCCN2c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000377126347 563463889 /nfs/dbraw/zinc/46/38/89/563463889.db2.gz KFBJBPOXTMVGQM-GXFFZTMASA-N 1 0 376.810 2.530 20 0 GFADRO O=C(C[C@@H]1CCC[NH2+]CC1)N[C@@H]1CCN(c2ccccc2Br)C1 ZINC000427293644 563464804 /nfs/dbraw/zinc/46/48/04/563464804.db2.gz DFRLRFQGZQDOOO-HUUCEWRRSA-N 1 0 380.330 2.924 20 0 GFADRO C[N@@H+]1CCCC[C@@H]1CCSc1nnc(-c2cncc(Br)c2)n1N ZINC000284208125 563467341 /nfs/dbraw/zinc/46/73/41/563467341.db2.gz LRBWRUQIISWJST-CYBMUJFWSA-N 1 0 397.346 2.783 20 0 GFADRO COc1ccc(Br)cc1CC(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000377231033 563468280 /nfs/dbraw/zinc/46/82/80/563468280.db2.gz HVWMYUDSGMHFSV-INIZCTEOSA-N 1 0 381.314 2.991 20 0 GFADRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)CSCc1ccc(Br)cc1F ZINC000427597390 563470237 /nfs/dbraw/zinc/47/02/37/563470237.db2.gz UIVIRSCWQYZFBB-IINYFYTJSA-N 1 0 375.307 2.936 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)C(=O)N[C@H]1CCCc2sccc21)c1cccs1 ZINC000284378876 563472929 /nfs/dbraw/zinc/47/29/29/563472929.db2.gz LZVGCPAALHILEV-KBPBESRZSA-N 1 0 377.535 2.722 20 0 GFADRO Cn1nccc1[C@H]1[C@H]([NH2+]Cc2csc(Br)c2)CCC(=O)N1C ZINC000284417496 563474148 /nfs/dbraw/zinc/47/41/48/563474148.db2.gz CNOPZYGUTCKAPV-IAQYHMDHSA-N 1 0 383.315 2.696 20 0 GFADRO CC(C)(C)c1ncc(C[NH2+]CCNS(=O)(=O)c2ccc(Cl)s2)cn1 ZINC000284423035 563474367 /nfs/dbraw/zinc/47/43/67/563474367.db2.gz RIFBVIAZRCBVFV-UHFFFAOYSA-N 1 0 388.946 2.557 20 0 GFADRO Clc1cc(Cl)c2c(c1)C=C(CN1CCO[C@H](Cn3cncn3)C1)CO2 ZINC000329195804 563475031 /nfs/dbraw/zinc/47/50/31/563475031.db2.gz ULECENGGMXDKGS-HNNXBMFYSA-N 1 0 381.263 2.762 20 0 GFADRO Cc1nc(C)c(S(=O)(=O)N[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC000329238426 563476880 /nfs/dbraw/zinc/47/68/80/563476880.db2.gz LCJXQMRZFAPBCC-SUMWQHHRSA-N 1 0 379.551 2.949 20 0 GFADRO Cc1ccc(I)c(C(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000377558702 563478987 /nfs/dbraw/zinc/47/89/87/563478987.db2.gz AMXCTGZEWSZKQN-INIZCTEOSA-N 1 0 384.261 2.815 20 0 GFADRO COc1ccc(CN2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)c(Br)c1 ZINC000377657078 563482223 /nfs/dbraw/zinc/48/22/23/563482223.db2.gz TUAOHSOGSCVKJZ-KXBFYZLASA-N 1 0 396.373 2.916 20 0 GFADRO CCc1[nH]nc(-c2nc([C@@H]3C[N@@H+]4CCC[C@@]4(C)CO3)no2)c1Br ZINC000329549912 563482880 /nfs/dbraw/zinc/48/28/80/563482880.db2.gz COUWHNIKKQHMGZ-BONVTDFDSA-N 1 0 382.262 2.710 20 0 GFADRO CN(C)c1nc2sc(C(=O)NCCC[NH2+]Cc3cccnc3)cc2s1 ZINC000428112385 563483077 /nfs/dbraw/zinc/48/30/77/563483077.db2.gz KOHWWEFPVYDSJA-UHFFFAOYSA-N 1 0 375.523 2.729 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CN1CCOC[C@@H]1[C@H]1CCC[C@H]1O ZINC000284626001 563483114 /nfs/dbraw/zinc/48/31/14/563483114.db2.gz BGLGZLULGNZDRC-DJIMGWMZSA-N 1 0 397.313 2.558 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)c1cnc(Sc2nccn2C)c(Cl)c1 ZINC000428120987 563483254 /nfs/dbraw/zinc/48/32/54/563483254.db2.gz NPXIYKVCSXSRBY-FZMZJTMJSA-N 1 0 379.917 2.962 20 0 GFADRO Cn1nccc1[C@H]1[C@H]([NH2+]Cc2ccc(F)c(Br)c2)CCC(=O)N1C ZINC000284630888 563483228 /nfs/dbraw/zinc/48/32/28/563483228.db2.gz TYJGSIPLNJUICC-RHSMWYFYSA-N 1 0 395.276 2.773 20 0 GFADRO CCCOc1c(Br)cc(C(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1OC ZINC000377746920 563485792 /nfs/dbraw/zinc/48/57/92/563485792.db2.gz QASHOCYRWOZATK-OCCSQVGLSA-N 1 0 397.313 2.928 20 0 GFADRO Cc1noc(C)c1CC[N@@H+]1CCCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000329854507 563490049 /nfs/dbraw/zinc/49/00/49/563490049.db2.gz WMUMQARVQOLEOH-UHFFFAOYSA-N 1 0 375.420 2.917 20 0 GFADRO CSc1nc(=O)[nH]c(C)c1C(=O)NC[C@@H]1CC[N@H+](C)[C@@H]1c1cccs1 ZINC000377941031 563491488 /nfs/dbraw/zinc/49/14/88/563491488.db2.gz AAGBNBKPWDOEGU-FZMZJTMJSA-N 1 0 378.523 2.697 20 0 GFADRO [NH3+]C[C@H]1CCCN(C(=O)[C@@H](c2ccc(Cl)cc2Cl)N2CCOCC2)C1 ZINC000428515940 563494951 /nfs/dbraw/zinc/49/49/51/563494951.db2.gz LBVZBUJFCIKRGJ-CXAGYDPISA-N 1 0 386.323 2.564 20 0 GFADRO CC(C)[NH+]1CCN([C@H]2CCN(C(=O)Cc3ccccc3Br)C2)CC1 ZINC000378113425 563497109 /nfs/dbraw/zinc/49/71/09/563497109.db2.gz QSHZNOYYYFVLPR-KRWDZBQOSA-N 1 0 394.357 2.619 20 0 GFADRO Cc1[nH]c(=O)c(Br)cc1C(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000284992651 563498147 /nfs/dbraw/zinc/49/81/47/563498147.db2.gz ANBVUZGZXZHGJA-CYBMUJFWSA-N 1 0 384.299 2.952 20 0 GFADRO COC(=O)CN1CCC([NH2+][C@H](c2cncc(Br)c2)C2CC2)CC1 ZINC000284989898 563498189 /nfs/dbraw/zinc/49/81/89/563498189.db2.gz IYPXCVQFCZSGIC-KRWDZBQOSA-N 1 0 382.302 2.522 20 0 GFADRO C[N@@H+]1CCC[C@H]1CNC(=O)Nc1ccc(F)cc1I ZINC000428784879 563501166 /nfs/dbraw/zinc/50/11/66/563501166.db2.gz LILYDFKWXAFABW-JTQLQIEISA-N 1 0 377.201 2.646 20 0 GFADRO Cc1ccc(NC(=O)CC[NH2+][C@@H](CO)c2ccc(Br)cc2)nc1 ZINC000428819937 563502907 /nfs/dbraw/zinc/50/29/07/563502907.db2.gz RGLJBNQLOFPLMD-HNNXBMFYSA-N 1 0 378.270 2.804 20 0 GFADRO O=C(CSc1cccc(Br)c1)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000378329200 563502963 /nfs/dbraw/zinc/50/29/63/563502963.db2.gz DWQLOXLQEFSFLJ-KGLIPLIRSA-N 1 0 385.327 2.521 20 0 GFADRO C[N@@H+]1CC[C@@H]2OCCN(C(=O)/C=C/c3cc(Br)ccc3F)[C@@H]2C1 ZINC000285097024 563503087 /nfs/dbraw/zinc/50/30/87/563503087.db2.gz DWSPLTQHQAUDKO-MGKANHGQSA-N 1 0 383.261 2.533 20 0 GFADRO O=C(CCCS(=O)(=O)c1ccc(Cl)cc1)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000285171093 563507154 /nfs/dbraw/zinc/50/71/54/563507154.db2.gz MWXHMBQCRXUWCN-SJORKVTESA-N 1 0 384.929 2.637 20 0 GFADRO Cc1cccc(OC[C@H](O)C[NH2+][C@@H](CO)c2ccc(Br)c(F)c2)c1 ZINC000429018407 563507752 /nfs/dbraw/zinc/50/77/52/563507752.db2.gz HDRPYLQXFNXGFU-KDOFPFPSSA-N 1 0 398.272 2.960 20 0 GFADRO C[C@H]1C[C@H]1[N@@H+]1CCN(C[C@H](O)COc2cccc(Br)c2)C[C@@H](C)C1 ZINC000429018444 563507929 /nfs/dbraw/zinc/50/79/29/563507929.db2.gz HLCCLVUENWYULN-WXSAJPJJSA-N 1 0 397.357 2.851 20 0 GFADRO C[C@@H](NC(=O)Cc1csc(NC(=O)c2cccs2)n1)[C@@H]1CCC[NH2+]C1 ZINC000429011961 563508001 /nfs/dbraw/zinc/50/80/01/563508001.db2.gz SZCPDCSMNNCLTE-VXGBXAGGSA-N 1 0 378.523 2.504 20 0 GFADRO Cc1cc(Br)ccc1CN1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000378482158 563508686 /nfs/dbraw/zinc/50/86/86/563508686.db2.gz LONJLVMOJWLMAD-QGZVFWFLSA-N 1 0 380.330 2.672 20 0 GFADRO O=C(NCC[C@H]1CC[NH2+]C1)c1cc(I)ccc1Cl ZINC000429111240 563510087 /nfs/dbraw/zinc/51/00/87/563510087.db2.gz SFDNYMQGHZKXSY-SECBINFHSA-N 1 0 378.641 2.674 20 0 GFADRO Cc1nn(-c2ccc(C(=O)NC[C@@H]([NH3+])C(C)C)cc2)c(C)c1Br ZINC000429192052 563511451 /nfs/dbraw/zinc/51/14/51/563511451.db2.gz QKNIFCKHLFWRLW-OAHLLOKOSA-N 1 0 379.302 2.965 20 0 GFADRO CCS(=O)(=O)NCC[NH2+]C(C)(C)Cc1ccc(Br)c(C)c1 ZINC000429231825 563512397 /nfs/dbraw/zinc/51/23/97/563512397.db2.gz QSULTUJPYDGUOV-UHFFFAOYSA-N 1 0 377.348 2.608 20 0 GFADRO CC[C@H]1CC[C@@H](C)[N@@H+]1CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000330645558 563515152 /nfs/dbraw/zinc/51/51/52/563515152.db2.gz GOIAQRBFXWDJFF-OCCSQVGLSA-N 1 0 387.933 2.792 20 0 GFADRO COC(=O)CN(C)C(=O)CC[NH2+][C@@H]1c2cccc(Br)c2CC1(C)C ZINC000429386616 563515561 /nfs/dbraw/zinc/51/55/61/563515561.db2.gz XALILQLKMKMEDB-QGZVFWFLSA-N 1 0 397.313 2.684 20 0 GFADRO CN(C)S(=O)(=O)CCC[NH2+][C@@H]1c2cccc(Br)c2CC1(C)C ZINC000429390974 563516377 /nfs/dbraw/zinc/51/63/77/563516377.db2.gz YAAAWEOSDMRDTQ-OAHLLOKOSA-N 1 0 389.359 2.944 20 0 GFADRO CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1c2cccc(Br)c2CC1(C)C ZINC000429402237 563516462 /nfs/dbraw/zinc/51/64/62/563516462.db2.gz CFHBYRATLXBILY-IINYFYTJSA-N 1 0 382.302 2.896 20 0 GFADRO Cc1cc(C(=O)NCC[C@H]2CC[NH2+]C2)nn1-c1ccc(Br)cc1 ZINC000429427644 563516888 /nfs/dbraw/zinc/51/68/88/563516888.db2.gz POFYQQUFMGJMHW-CYBMUJFWSA-N 1 0 377.286 2.673 20 0 GFADRO CC(C)NS(=O)(=O)NCC[NH2+][C@@H](C)c1ccc(SCC(F)F)cc1 ZINC000429428362 563516960 /nfs/dbraw/zinc/51/69/60/563516960.db2.gz IVKKDXJSATXGJP-LBPRGKRZSA-N 1 0 381.514 2.527 20 0 GFADRO CC(C)NS(=O)(=O)NCC[NH2+][C@H](C)c1ccc(SCC(F)(F)F)cc1 ZINC000429431824 563517179 /nfs/dbraw/zinc/51/71/79/563517179.db2.gz WOMNXLOAEYKHTM-GFCCVEGCSA-N 1 0 399.504 2.824 20 0 GFADRO O=S(=O)(c1ccc(F)cc1Br)N1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000387839389 563519777 /nfs/dbraw/zinc/51/97/77/563519777.db2.gz FKADATJPKHCUQD-KBPBESRZSA-N 1 0 391.306 2.883 20 0 GFADRO O=C(Cn1cc(C[NH2+]C2CC2)nn1)Nc1ccc(Br)cc1Cl ZINC000387982732 563520444 /nfs/dbraw/zinc/52/04/44/563520444.db2.gz QKBWECUGDRVZRE-UHFFFAOYSA-N 1 0 384.665 2.585 20 0 GFADRO C[C@H]1C[C@@H](N2CCOCC2)C[N@@H+]1CCC(=O)Nc1cccc(Br)c1 ZINC000285439246 563520883 /nfs/dbraw/zinc/52/08/83/563520883.db2.gz CSISTRDRKKWDKN-WMLDXEAASA-N 1 0 396.329 2.573 20 0 GFADRO O=C(N[C@H]1CC12CC[NH2+]CC2)c1ccc(I)c(Cl)c1 ZINC000390004256 563522839 /nfs/dbraw/zinc/52/28/39/563522839.db2.gz QXNWCSWYBHZGJF-LBPRGKRZSA-N 1 0 390.652 2.817 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCCC[C@H]1NS(C)(=O)=O)c1ccc(Br)cc1 ZINC000330828773 563523254 /nfs/dbraw/zinc/52/32/54/563523254.db2.gz GOHJQCBVYFZNLI-NILFDRSVSA-N 1 0 375.332 2.960 20 0 GFADRO C[NH+]1CCC([C@H]2CCN(C(=O)c3cn4ccc(Br)cc4n3)C2)CC1 ZINC000285489179 563523735 /nfs/dbraw/zinc/52/37/35/563523735.db2.gz AGEOJNLEKOSDSE-AWEZNQCLSA-N 1 0 391.313 2.901 20 0 GFADRO C[C@@H](CNS(=O)(=O)c1cc(Cl)ccc1Br)[N@H+](C)C1CC1 ZINC000429819959 563524277 /nfs/dbraw/zinc/52/42/77/563524277.db2.gz WMNLVUNCUCTRGM-VIFPVBQESA-N 1 0 381.723 2.864 20 0 GFADRO [NH3+]C[C@@H]1c2ccccc2CCN1S(=O)(=O)c1ccc(Br)cc1F ZINC000391380190 563524552 /nfs/dbraw/zinc/52/45/52/563524552.db2.gz ZYPSUNRGBRTEBK-OAHLLOKOSA-N 1 0 399.285 2.835 20 0 GFADRO CCCOc1c(Br)cc(C[NH2+][C@H]2CC(=O)N(CC)C2)cc1OC ZINC000391616194 563525515 /nfs/dbraw/zinc/52/55/15/563525515.db2.gz QEOOKDMJBJWWGH-ZDUSSCGKSA-N 1 0 385.302 2.957 20 0 GFADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N(C)C2CC[NH+](C(C)C)CC2)c1 ZINC000330909347 563526800 /nfs/dbraw/zinc/52/68/00/563526800.db2.gz XLGIDSUODCNGGK-UHFFFAOYSA-N 1 0 388.917 2.620 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)C(=O)N1CCC[C@@H]([NH+](C)C)CC1 ZINC000429884246 563527361 /nfs/dbraw/zinc/52/73/61/563527361.db2.gz KXDSZDUIKFQZQB-OAHLLOKOSA-N 1 0 396.329 2.893 20 0 GFADRO O=C(COC1C[NH2+]C1)Nc1ccc(OCc2ccccc2)c(Br)c1 ZINC000430007761 563531658 /nfs/dbraw/zinc/53/16/58/563531658.db2.gz REJBZTPMYYZULH-UHFFFAOYSA-N 1 0 391.265 2.955 20 0 GFADRO CCC[NH+]1CCC(NS(=O)(=O)c2cc(OC)ccc2Br)CC1 ZINC000331032478 563532314 /nfs/dbraw/zinc/53/23/14/563532314.db2.gz VEJXNJMIMXGLGO-UHFFFAOYSA-N 1 0 391.331 2.610 20 0 GFADRO CS(=O)(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nc4ccccc4s3)o2)C1 ZINC000400284224 563534556 /nfs/dbraw/zinc/53/45/56/563534556.db2.gz NHLOSLSDMJVTQO-GFCCVEGCSA-N 1 0 377.491 2.680 20 0 GFADRO C[C@H](C(=O)NC[C@H](CO)Cc1cccc(Br)c1)[NH+]1CCCCCC1 ZINC000430136081 563535508 /nfs/dbraw/zinc/53/55/08/563535508.db2.gz RTFIDKAROPNBTK-NVXWUHKLSA-N 1 0 397.357 2.981 20 0 GFADRO CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H](CO)Cc1ccccc1Br ZINC000430163404 563537090 /nfs/dbraw/zinc/53/70/90/563537090.db2.gz HPYYXANMCYQQRH-PBHICJAKSA-N 1 0 383.330 2.591 20 0 GFADRO O=C(Cn1cc([C@H]2CCC[NH2+]C2)nn1)Nc1ccc(Br)cc1Cl ZINC000404821260 563537126 /nfs/dbraw/zinc/53/71/26/563537126.db2.gz DNOISJWVFIKZNL-JTQLQIEISA-N 1 0 398.692 2.800 20 0 GFADRO C[NH2+]Cc1ccccc1CNS(=O)(=O)c1ccc(C)cc1Br ZINC000404571653 563537319 /nfs/dbraw/zinc/53/73/19/563537319.db2.gz JMUMCJDZEJBSGX-UHFFFAOYSA-N 1 0 383.311 2.955 20 0 GFADRO C[C@@H]1C[C@@H](N2CCOCC2)C[N@@H+]1C[C@H](O)COc1ccc(Cl)cc1Cl ZINC000285805913 563537518 /nfs/dbraw/zinc/53/75/18/563537518.db2.gz GCKNXSOPBAWHFL-BMFZPTHFSA-N 1 0 389.323 2.528 20 0 GFADRO O=C(CC[NH+]1CCC(O)(C(F)F)CC1)Nc1cccc(Br)c1 ZINC000331160555 563537824 /nfs/dbraw/zinc/53/78/24/563537824.db2.gz RBUBNSCSQJUEQD-UHFFFAOYSA-N 1 0 377.229 2.870 20 0 GFADRO Cc1cc(C[NH2+][C@@H]2CCCC[C@@H]2NS(C)(=O)=O)sc1Br ZINC000331168690 563538379 /nfs/dbraw/zinc/53/83/79/563538379.db2.gz IWLSHOTWSWLAMP-NEPJUHHUSA-N 1 0 381.361 2.769 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cn3ccc(Br)cc3n2)[C@H](C)C1 ZINC000285854847 563539741 /nfs/dbraw/zinc/53/97/41/563539741.db2.gz XGLYGPLAKKJDRE-IUODEOHRSA-N 1 0 379.302 2.899 20 0 GFADRO C[C@H](CNC(=O)c1cnc2c(Cl)cc(Br)cc2c1O)[NH+](C)C ZINC000430438796 563543869 /nfs/dbraw/zinc/54/38/69/563543869.db2.gz NETBUJOWPRVJFS-MRVPVSSYSA-N 1 0 386.677 2.624 20 0 GFADRO C[C@@H](C(=O)Nc1ccc(Br)cc1)N1CCC(OCCC[NH3+])CC1 ZINC000430546557 563545386 /nfs/dbraw/zinc/54/53/86/563545386.db2.gz CZZJBLPFKDESPF-ZDUSSCGKSA-N 1 0 384.318 2.606 20 0 GFADRO Cc1ccc([C@H]([NH3+])C(=O)NCc2cc(Br)c3c(c2)OCCO3)cc1 ZINC000430594299 563545913 /nfs/dbraw/zinc/54/59/13/563545913.db2.gz QNALONIOHDRIIV-INIZCTEOSA-N 1 0 391.265 2.845 20 0 GFADRO Brc1cccc(Cc2noc(CN3CC[C@H]4CC[C@@H](C3)[NH2+]4)n2)c1 ZINC000430588608 563546059 /nfs/dbraw/zinc/54/60/59/563546059.db2.gz FIOVXJJWFDDWOA-CABCVRRESA-N 1 0 377.286 2.749 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCCCN1CC(=O)Nc1c(F)cc(F)cc1Br ZINC000430647378 563546816 /nfs/dbraw/zinc/54/68/16/563546816.db2.gz XTJCBIOZJMQZBE-ZANVPECISA-N 1 0 376.245 2.868 20 0 GFADRO O=S(=O)(c1ccc(Br)o1)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000408215939 563547970 /nfs/dbraw/zinc/54/79/70/563547970.db2.gz UYSJRCMEPSIGOT-GFCCVEGCSA-N 1 0 377.304 2.681 20 0 GFADRO CSCCCC[NH2+][C@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430723638 563548151 /nfs/dbraw/zinc/54/81/51/563548151.db2.gz SNGLWZLESVEDSL-SNVBAGLBSA-N 1 0 381.361 2.890 20 0 GFADRO CCCCOCC[NH2+][C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430699799 563548219 /nfs/dbraw/zinc/54/82/19/563548219.db2.gz ZDOFTPXWTREEDN-NSHDSACASA-N 1 0 379.320 2.564 20 0 GFADRO CCc1nc(C(=O)N2CC[NH2+]C(C)(C)C2)nn1-c1c(Cl)cccc1Cl ZINC000408323401 563550553 /nfs/dbraw/zinc/55/05/53/563550553.db2.gz ZQMLUZZFTJSSHV-UHFFFAOYSA-N 1 0 382.295 2.961 20 0 GFADRO O=S(=O)(c1ccc(Cl)cc1Br)N1CCC2(CC[NH2+]C2)CC1 ZINC000431033539 563552387 /nfs/dbraw/zinc/55/23/87/563552387.db2.gz ISBGVKKOUXMXNX-UHFFFAOYSA-N 1 0 393.734 2.867 20 0 GFADRO Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1[NH2+][C@H](C)Cn1cc(Br)cn1 ZINC000331583464 563554053 /nfs/dbraw/zinc/55/40/53/563554053.db2.gz XJMDYMFYXFSSIP-OOVXXXAESA-N 1 0 382.306 2.504 20 0 GFADRO COC(=O)[C@]1(C(F)(F)F)CCN(C[C@H](O)c2cccc(Br)c2)C1 ZINC000286284268 563554962 /nfs/dbraw/zinc/55/49/62/563554962.db2.gz BUFZJKOYRMDDIO-JSGCOSHPSA-N 1 0 396.203 2.910 20 0 GFADRO C[C@@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH2+]C[C@@]1(O)CCOC1 ZINC000286331764 563556621 /nfs/dbraw/zinc/55/66/21/563556621.db2.gz DSEGAWGPKDFMFT-BONVTDFDSA-N 1 0 380.794 2.817 20 0 GFADRO CC[C@H]1CN(C(=O)c2cc(Br)cc3nc[nH]c32)CC[N@@H+]1CCOC ZINC000331790839 563562064 /nfs/dbraw/zinc/56/20/64/563562064.db2.gz HAUDPBSCFWIKLR-ZDUSSCGKSA-N 1 0 395.301 2.508 20 0 GFADRO CC(=O)c1cc(Br)ccc1OCC(=O)N1CCC[C@H]([NH+](C)C)CC1 ZINC000286598051 563566581 /nfs/dbraw/zinc/56/65/81/563566581.db2.gz WSOOISOBISDBLO-HNNXBMFYSA-N 1 0 397.313 2.973 20 0 GFADRO Nc1nc(-n2cccn2)cc(N[C@H]2CCOc3c(Br)cccc32)[nH+]1 ZINC000409654457 563567388 /nfs/dbraw/zinc/56/73/88/563567388.db2.gz XBLBEHPDNQFANM-LBPRGKRZSA-N 1 0 387.241 2.943 20 0 GFADRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1S(=O)(=O)c1sccc1Br ZINC000286618756 563568158 /nfs/dbraw/zinc/56/81/58/563568158.db2.gz HWOKYWCFJUQJHY-JQWIXIFHSA-N 1 0 379.345 2.758 20 0 GFADRO O=C(NCC[NH+]1CCCCCC1)c1ccc(I)c(O)c1 ZINC000331979992 563569943 /nfs/dbraw/zinc/56/99/43/563569943.db2.gz KZRTZEGHDJRTNZ-UHFFFAOYSA-N 1 0 388.249 2.603 20 0 GFADRO C[C@H](Oc1ccc(Br)cc1)C(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1 ZINC000409728959 563570246 /nfs/dbraw/zinc/57/02/46/563570246.db2.gz IXCATFOPEHWVGK-YOEHRIQHSA-N 1 0 399.329 2.786 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)NCC(C)(C)C[NH+](C)C)c(Br)c1 ZINC000431965766 563572419 /nfs/dbraw/zinc/57/24/19/563572419.db2.gz LZGGMDXDCUYFAP-UHFFFAOYSA-N 1 0 384.318 2.708 20 0 GFADRO CCc1ccc([C@@H](CNC(=O)c2nn(C)cc2Br)[NH+](C)C)cc1 ZINC000432053416 563574585 /nfs/dbraw/zinc/57/45/85/563574585.db2.gz FWCLBNDMBUQPAJ-OAHLLOKOSA-N 1 0 379.302 2.778 20 0 GFADRO COC(=O)c1ccc(S(=O)(=O)NC2CC[NH+](C3CCCCC3)CC2)s1 ZINC000332093976 563575833 /nfs/dbraw/zinc/57/58/33/563575833.db2.gz BFHMFGOUZXWEJJ-UHFFFAOYSA-N 1 0 386.539 2.610 20 0 GFADRO C[C@@H](CO)[N@@H+]1CCCN(C(=O)C(C)(C)c2ccccc2Br)CC1 ZINC000409973552 563576638 /nfs/dbraw/zinc/57/66/38/563576638.db2.gz GIDWSFMTELASSR-AWEZNQCLSA-N 1 0 383.330 2.642 20 0 GFADRO CC[NH+]1CCN(CCC(=O)N[C@H](C)c2ccc(Br)cc2F)CC1 ZINC000286841019 563576973 /nfs/dbraw/zinc/57/69/73/563576973.db2.gz YGDKZRJDJQMPEJ-CYBMUJFWSA-N 1 0 386.309 2.793 20 0 GFADRO CC1(C)[C@H]([NH2+][C@@H]2CCN(c3cccc(Br)c3)C2=O)[C@H]2CCO[C@@H]21 ZINC000432339784 563581411 /nfs/dbraw/zinc/58/14/11/563581411.db2.gz UTOPMYFMCHDTCJ-FPCVCCKLSA-N 1 0 379.298 2.958 20 0 GFADRO C[C@H]1C[C@@H]([NH2+]CC2(O)CCS(=O)(=O)CC2)c2cccc(Br)c21 ZINC000332226879 563585195 /nfs/dbraw/zinc/58/51/95/563585195.db2.gz CESWGOQELWBMJN-SMDDNHRTSA-N 1 0 388.327 2.527 20 0 GFADRO O=S(=O)(N[C@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc(OCC(F)(F)F)cc1 ZINC000332254466 563588375 /nfs/dbraw/zinc/58/83/75/563588375.db2.gz MMHPBDIRSBLBKY-LSDHHAIUSA-N 1 0 378.416 2.533 20 0 GFADRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)N1CCC(n2cc(Br)cn2)CC1 ZINC000332287522 563590299 /nfs/dbraw/zinc/59/02/99/563590299.db2.gz IVSDFBPLAWHRED-WFASDCNBSA-N 1 0 384.322 2.510 20 0 GFADRO CNC(=O)c1cccc(NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c1Br ZINC000287219128 563591781 /nfs/dbraw/zinc/59/17/81/563591781.db2.gz APQXREORBIRLBD-NEPJUHHUSA-N 1 0 395.301 2.509 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c(Br)c1 ZINC000332311862 563592139 /nfs/dbraw/zinc/59/21/39/563592139.db2.gz HWGSYNLOZBEYLZ-YDHLFZDLSA-N 1 0 394.313 2.590 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)CCCS(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000287303505 563595853 /nfs/dbraw/zinc/59/58/53/563595853.db2.gz DQHJTJBDSUSRCU-HZPDHXFCSA-N 1 0 386.945 2.883 20 0 GFADRO CCC[N@@H+]1CC[C@@H](CNC(=O)Nc2cccc(C(=O)NC)c2Br)C1 ZINC000287375569 563598660 /nfs/dbraw/zinc/59/86/60/563598660.db2.gz KYWUVFVOGWJGMH-LBPRGKRZSA-N 1 0 397.317 2.662 20 0 GFADRO C[C@@H](c1ccccc1Br)[NH+]1CCC([C@]2(C)NC(=O)NC2=O)CC1 ZINC000332462231 563600344 /nfs/dbraw/zinc/60/03/44/563600344.db2.gz QLZVBECDICYIJS-GTNSWQLSSA-N 1 0 380.286 2.820 20 0 GFADRO C[C@@H](O)C[N@@H+]1CCN(C(=O)NCc2nc3cc(Cl)ccc3s2)[C@@H](C)C1 ZINC000287436112 563601442 /nfs/dbraw/zinc/60/14/42/563601442.db2.gz GZSDPCXBPIDQRV-NWDGAFQWSA-N 1 0 382.917 2.546 20 0 GFADRO C[C@@H]1C[C@H](C)N(C(=O)Cc2cc3c(cc2Br)OCCO3)C[C@H]1C[NH3+] ZINC000332567079 563605006 /nfs/dbraw/zinc/60/50/06/563605006.db2.gz AACMZJOEDSCYSU-MBNYWOFBSA-N 1 0 397.313 2.595 20 0 GFADRO OCC[N@H+](C[C@H](O)COc1c(Cl)cccc1Cl)[C@H]1CCCSC1 ZINC000433198278 563605635 /nfs/dbraw/zinc/60/56/35/563605635.db2.gz XOKMRZFUQPZRAG-STQMWFEESA-N 1 0 380.337 2.923 20 0 GFADRO C[C@@H](C(=O)Nc1cccc(Br)c1)[N@@H+]1CC[C@@H](C(=O)N2CCCC2)C1 ZINC000287571964 563608042 /nfs/dbraw/zinc/60/80/42/563608042.db2.gz XLMNTIGXZYRJDX-UONOGXRCSA-N 1 0 394.313 2.720 20 0 GFADRO CC[NH+]1CCC(N(C)C(=O)c2cnc3ccc(Br)cc3c2O)CC1 ZINC000332640174 563609647 /nfs/dbraw/zinc/60/96/47/563609647.db2.gz VPIHRWXNLJFCMC-UHFFFAOYSA-N 1 0 392.297 2.847 20 0 GFADRO Cc1cc(NC(=O)C(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2C)cc(F)c1Br ZINC000332646357 563609664 /nfs/dbraw/zinc/60/96/64/563609664.db2.gz ZUJCCUFKQACHTJ-YPMHNXCESA-N 1 0 398.276 2.530 20 0 GFADRO C[C@H]([NH2+][C@H]1CCO[C@@H](C(F)(F)F)C1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000287606718 563610042 /nfs/dbraw/zinc/61/00/42/563610042.db2.gz IXBVNDOYFYSOKO-CORIIIEPSA-N 1 0 380.432 2.697 20 0 GFADRO O=C(NCC[N@@H+]1CCCOCC1)Nc1cccc(Cl)c1OCC(F)F ZINC000287648073 563611926 /nfs/dbraw/zinc/61/19/26/563611926.db2.gz QFDFHIGCMXINSX-UHFFFAOYSA-N 1 0 377.819 2.828 20 0 GFADRO Cc1ccc(-c2csc(NC(=O)C(=O)N3CC[C@@H](C[NH+](C)C)C3)n2)s1 ZINC000287696214 563614165 /nfs/dbraw/zinc/61/41/65/563614165.db2.gz QICDENRTWKOACY-LBPRGKRZSA-N 1 0 378.523 2.529 20 0 GFADRO Cc1csc([C@H]2COCCN2C(=O)NC[C@H](c2ccsc2)[NH+](C)C)n1 ZINC000333005827 563617462 /nfs/dbraw/zinc/61/74/62/563617462.db2.gz MUKUVQUMKAVCGH-HUUCEWRRSA-N 1 0 380.539 2.899 20 0 GFADRO CSc1cc(NC(=O)C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)ccc1Cl ZINC000411424936 563618599 /nfs/dbraw/zinc/61/85/99/563618599.db2.gz LKAYIWMBINDSRV-WFASDCNBSA-N 1 0 381.929 2.943 20 0 GFADRO C[NH+](C)CCOC1CCN(C(=O)Cc2cc(Br)ccc2F)CC1 ZINC000433750233 563619028 /nfs/dbraw/zinc/61/90/28/563619028.db2.gz TZDRLTSQJAXCMI-UHFFFAOYSA-N 1 0 387.293 2.700 20 0 GFADRO C[NH+](C)C1(CNC(=O)C(=O)N[C@H]2CCSc3ccc(Cl)cc32)CCC1 ZINC000287831861 563619435 /nfs/dbraw/zinc/61/94/35/563619435.db2.gz QBAMQFANZBOFMA-AWEZNQCLSA-N 1 0 381.929 2.594 20 0 GFADRO Cn1cc(Br)cc(NC(=O)N2CCCC[C@H]2[C@@H]2CCC[NH2+]C2)c1=O ZINC000333081905 563619600 /nfs/dbraw/zinc/61/96/00/563619600.db2.gz AVXGALMFSCKGOW-DOMZBBRYSA-N 1 0 397.317 2.534 20 0 GFADRO COc1cc(NC(=O)CC[N@H+](C)C[C@H](O)C(F)(F)F)c(OC)cc1Cl ZINC000411439833 563619757 /nfs/dbraw/zinc/61/97/57/563619757.db2.gz QXZNALHTPOPCMV-ZDUSSCGKSA-N 1 0 384.782 2.541 20 0 GFADRO CSc1ccc(OC[C@H](O)C[NH2+][C@H](C[S@](C)=O)c2ccccc2)cc1 ZINC000411470607 563620206 /nfs/dbraw/zinc/62/02/06/563620206.db2.gz JFDFBPXKMUECGJ-JIZVJVNCSA-N 1 0 379.547 2.858 20 0 GFADRO C[C@H](NC(=O)C(=O)N(C)CCCn1ccnc1)c1cccc(Cl)c1Cl ZINC000287859441 563620571 /nfs/dbraw/zinc/62/05/71/563620571.db2.gz DTIFDSVSJGQDGH-LBPRGKRZSA-N 1 0 383.279 2.916 20 0 GFADRO Cc1nc(C)c(S(=O)(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2F)s1 ZINC000433833346 563620717 /nfs/dbraw/zinc/62/07/17/563620717.db2.gz NMNHQVWQXNHSEO-UHFFFAOYSA-N 1 0 389.493 2.791 20 0 GFADRO [NH3+][C@@H]1CCCO[C@H]1C1CCN(C(=O)Nc2cncc(Br)c2)CC1 ZINC000333173036 563623276 /nfs/dbraw/zinc/62/32/76/563623276.db2.gz QFBWSUWHSLEDPZ-CABCVRRESA-N 1 0 383.290 2.594 20 0 GFADRO COCC[C@@H](NC(=O)NC[C@](C)(O)C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000287948601 563623837 /nfs/dbraw/zinc/62/38/37/563623837.db2.gz UXGYCFPXQOYEHB-WBVHZDCISA-N 1 0 392.327 2.683 20 0 GFADRO CCn1cc([C@@H]2NC(=O)CC[C@H]2[NH2+]Cc2ccc(F)c(Br)c2)cn1 ZINC000433991581 563624478 /nfs/dbraw/zinc/62/44/78/563624478.db2.gz WYYPSFIUXAXLON-WBVHZDCISA-N 1 0 395.276 2.914 20 0 GFADRO C[C@@H](NC(=O)C(=O)N[C@H](C)C1=CC[N@H+](C)CC1)c1cccc(Cl)c1Cl ZINC000288066697 563627358 /nfs/dbraw/zinc/62/73/58/563627358.db2.gz GKFAOXOBXQUQCY-VXGBXAGGSA-N 1 0 384.307 2.937 20 0 GFADRO [NH3+][C@@H]1CCO[C@@H](C2CCN(C(=O)Cc3ccc(F)c(Br)c3)CC2)C1 ZINC000333291258 563627420 /nfs/dbraw/zinc/62/74/20/563627420.db2.gz ORUSTAYFHUZVBO-RHSMWYFYSA-N 1 0 399.304 2.876 20 0 GFADRO O=C(c1cnn([C@H]2CCC[NH2+]C2)c1)N1CCc2cccc(Br)c2C1 ZINC000333315169 563627982 /nfs/dbraw/zinc/62/79/82/563627982.db2.gz SPSBBTJKUZNJMI-HNNXBMFYSA-N 1 0 389.297 2.769 20 0 GFADRO O=C(COc1ccc(Cl)c(Cl)c1)N1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000333318650 563628119 /nfs/dbraw/zinc/62/81/19/563628119.db2.gz UBUZRDOJLUABGA-CJNGLKHVSA-N 1 0 385.291 2.599 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)NCC[C@@H]2CCC[N@@H+](C)C2)cc1Br ZINC000411663700 563628422 /nfs/dbraw/zinc/62/84/22/563628422.db2.gz DKAZNKCDDYQBJM-AWEZNQCLSA-N 1 0 396.329 2.853 20 0 GFADRO Cc1cccc(NC(=O)C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)c1Br ZINC000434557594 563632622 /nfs/dbraw/zinc/63/26/22/563632622.db2.gz RUQCIFQEDGHHOC-AWEZNQCLSA-N 1 0 394.313 2.829 20 0 GFADRO O=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)C(=O)Nc1ccc(F)c(Br)c1 ZINC000434556718 563632654 /nfs/dbraw/zinc/63/26/54/563632654.db2.gz PECNQXNBUSNXFE-ZDUSSCGKSA-N 1 0 398.276 2.660 20 0 GFADRO CC1(c2ccc(Br)cc2)CCN(C(=O)NC[C@H]2C[NH2+]CCO2)CC1 ZINC000333496984 563633971 /nfs/dbraw/zinc/63/39/71/563633971.db2.gz HIWQEVBDTRBFNM-MRXNPFEDSA-N 1 0 396.329 2.501 20 0 GFADRO [NH3+][C@H]1CCCO[C@@H]1C1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1 ZINC000333502129 563634842 /nfs/dbraw/zinc/63/48/42/563634842.db2.gz FNKOCUZCZBVDHR-XJKSGUPXSA-N 1 0 393.336 2.900 20 0 GFADRO Cc1cc(C(=O)N[C@H]2CCC[NH2+][C@@H]2C)nn1-c1ccc(Br)cc1 ZINC000434703823 563635611 /nfs/dbraw/zinc/63/56/11/563635611.db2.gz BOIGRZYOGGLWIL-DOMZBBRYSA-N 1 0 377.286 2.814 20 0 GFADRO CCCN(CC[NH+]1CCCCC1)C(=O)C(=O)Nc1ccc(Br)cn1 ZINC000288298353 563636762 /nfs/dbraw/zinc/63/67/62/563636762.db2.gz YKPXMQWKXGXOHV-UHFFFAOYSA-N 1 0 397.317 2.507 20 0 GFADRO CN(C)c1cc(NC(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)ncc1Br ZINC000333646422 563637817 /nfs/dbraw/zinc/63/78/17/563637817.db2.gz JTZGKPJSFGXVTD-KRWDZBQOSA-N 1 0 396.333 2.860 20 0 GFADRO COC[C@H]([NH2+]CC(=O)N(C)Cc1cc(Cl)cc(Cl)c1)[C@@H]1CCCO1 ZINC000434782470 563638413 /nfs/dbraw/zinc/63/84/13/563638413.db2.gz DBGQAAGRLCAOPI-HOTGVXAUSA-N 1 0 375.296 2.735 20 0 GFADRO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(S(=O)(=O)Cc2ccc(F)c(Cl)c2)CC1 ZINC000333663664 563638380 /nfs/dbraw/zinc/63/83/80/563638380.db2.gz LYJAWRVBPYQALT-IAGOWNOFSA-N 1 0 390.908 2.527 20 0 GFADRO COCC(COC)[NH+]1CCN(CCCc2ccccc2Br)CC1 ZINC000411863554 563638546 /nfs/dbraw/zinc/63/85/46/563638546.db2.gz QHTDVSFHMCLQFK-UHFFFAOYSA-N 1 0 385.346 2.661 20 0 GFADRO [NH3+][C@H]1CCCO[C@H]1C1CCN(C(=O)c2cc(F)cc(Br)c2)CC1 ZINC000333766424 563641755 /nfs/dbraw/zinc/64/17/55/563641755.db2.gz BINJNPXBHVPGDU-HOTGVXAUSA-N 1 0 385.277 2.947 20 0 GFADRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N1CCC(Oc2cccc(Br)c2)CC1 ZINC000333769390 563641942 /nfs/dbraw/zinc/64/19/42/563641942.db2.gz BUZWZEMRMMEJGW-DYVFJYSZSA-N 1 0 396.329 3.000 20 0 GFADRO O=C(N[C@@H]1COc2cc(F)c(Br)cc21)N1CCC2(CC[NH2+]2)CC1 ZINC000333809894 563642238 /nfs/dbraw/zinc/64/22/38/563642238.db2.gz JBHZRQGEUZUTSP-CYBMUJFWSA-N 1 0 384.249 2.559 20 0 GFADRO Cc1cc([C@H]2CCCN2C(=O)NC[C@H]2C[NH2+]CCCO2)ccc1Br ZINC000333831793 563643220 /nfs/dbraw/zinc/64/32/20/563643220.db2.gz MRFQRDHYEJZJJA-NVXWUHKLSA-N 1 0 396.329 2.983 20 0 GFADRO C[C@@H]1[C@H](NC(=O)c2csc(S(C)(=O)=O)c2)CCN1Cc1ccccc1 ZINC000288446788 563643630 /nfs/dbraw/zinc/64/36/30/563643630.db2.gz YUGVKXZDOCOJFG-CZUORRHYSA-N 1 0 378.519 2.544 20 0 GFADRO OC[C@@H]([NH2+]Cc1ncc(-c2ccc(Br)cc2)o1)[C@H]1CCCOC1 ZINC000411999266 563644230 /nfs/dbraw/zinc/64/42/30/563644230.db2.gz XGJUQZVWHMRCQR-DZGCQCFKSA-N 1 0 381.270 2.981 20 0 GFADRO Cn1cc(C[NH2+]CCCn2cc(Br)cn2)c(-c2cccnc2)n1 ZINC000288475101 563644859 /nfs/dbraw/zinc/64/48/59/563644859.db2.gz PIUMQAOIMYIXIE-UHFFFAOYSA-N 1 0 375.274 2.621 20 0 GFADRO Cc1nc(C(=O)N(C2CC2)[C@H]2CC[NH2+]C2)nn1-c1c(Cl)cccc1Cl ZINC000435242987 563646703 /nfs/dbraw/zinc/64/67/03/563646703.db2.gz PSHDYQIYOZEDSE-LBPRGKRZSA-N 1 0 380.279 2.849 20 0 GFADRO CC(C)[N@H+](C[C@@H](O)COc1cc(Cl)ccc1Cl)C[C@H]1CCC(=O)N1 ZINC000412089534 563647838 /nfs/dbraw/zinc/64/78/38/563647838.db2.gz SXAYJRIUPAXWCF-ZIAGYGMSSA-N 1 0 375.296 2.722 20 0 GFADRO CCOC(=O)COc1c(Br)cc(C)cc1CN1CCC([NH2+]C)CC1 ZINC000435388130 563649074 /nfs/dbraw/zinc/64/90/74/563649074.db2.gz CZJVYEHHQIAUGC-UHFFFAOYSA-N 1 0 399.329 2.883 20 0 GFADRO CC(C)[N@H+](C)CCCNC(=O)[C@H]1CC(=O)Nc2ccc(Br)cc21 ZINC000435457795 563652043 /nfs/dbraw/zinc/65/20/43/563652043.db2.gz GOVHFDLCXJNVFX-AWEZNQCLSA-N 1 0 382.302 2.721 20 0 GFADRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C(=O)N(C)Cc2ccc(Cl)s2)C1 ZINC000288672415 563652555 /nfs/dbraw/zinc/65/25/55/563652555.db2.gz CFEZYGUYGLMUJY-CQSZACIVSA-N 1 0 385.961 2.844 20 0 GFADRO NC(=O)c1ccc(C(=O)N(Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)s1 ZINC000435564790 563653714 /nfs/dbraw/zinc/65/37/14/563653714.db2.gz IRSINILYQZKNDJ-HNNXBMFYSA-N 1 0 375.519 2.693 20 0 GFADRO COC(=O)CC[C@@H]([NH3+])C(=O)Nc1nc(-c2cccc(Br)c2)cs1 ZINC000288694279 563654048 /nfs/dbraw/zinc/65/40/48/563654048.db2.gz XSEPDQIFNDBTSC-LLVKDONJSA-N 1 0 398.282 2.792 20 0 GFADRO Cc1ncsc1CN(C[C@H]1CC[NH2+]C1)C(=O)CCc1c(C)noc1Cl ZINC000435603038 563654278 /nfs/dbraw/zinc/65/42/78/563654278.db2.gz GMYQDQANTUWOIQ-ZDUSSCGKSA-N 1 0 382.917 2.972 20 0 GFADRO CN(C(=O)C1CCN(C(=O)c2ccc(Cl)s2)CC1)[C@@H]1CCC[NH2+]CC1 ZINC000435749152 563657870 /nfs/dbraw/zinc/65/78/70/563657870.db2.gz IBMFDKDSPBOSRD-CQSZACIVSA-N 1 0 383.945 2.854 20 0 GFADRO C[NH+]1CCC(Cc2nc(CC(=O)Nc3ccccc3Br)no2)CC1 ZINC000289008584 563664635 /nfs/dbraw/zinc/66/46/35/563664635.db2.gz HRZJQSMNUKHYBW-UHFFFAOYSA-N 1 0 393.285 2.898 20 0 GFADRO CNC(=O)[C@H](C)C[N@H+](C)Cc1ccc(I)c(Cl)c1 ZINC000436153269 563665571 /nfs/dbraw/zinc/66/55/71/563665571.db2.gz OIIUFPYNHPBZEA-SECBINFHSA-N 1 0 380.657 2.759 20 0 GFADRO O=C(CCCOc1cccc(Cl)c1Cl)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000289175467 563671122 /nfs/dbraw/zinc/67/11/22/563671122.db2.gz HXNZBEFPUUYZAN-AWEZNQCLSA-N 1 0 386.323 2.659 20 0 GFADRO Cn1ncc(Br)c1CN1CC[C@@](CO)(Cc2ccc(F)cc2)C1 ZINC000289222484 563672407 /nfs/dbraw/zinc/67/24/07/563672407.db2.gz ABJDFUJXVLKIRZ-QGZVFWFLSA-N 1 0 382.277 2.749 20 0 GFADRO CO[C@@H](C[NH3+])C(=O)N[C@@H](C)c1nc(-c2ccc(Br)cc2)cs1 ZINC000289473813 563675087 /nfs/dbraw/zinc/67/50/87/563675087.db2.gz BBZNHXIPMLOTTC-ZANVPECISA-N 1 0 384.299 2.724 20 0 GFADRO COc1cc(C[NH2+]Cc2ccc(S(C)(=O)=O)c(Cl)c2)cc(OC)c1O ZINC000289487303 563675913 /nfs/dbraw/zinc/67/59/13/563675913.db2.gz BFZRSWZIQNAPIE-UHFFFAOYSA-N 1 0 385.869 2.756 20 0 GFADRO CN(C)C(=O)C1(C[NH2+]Cc2cn3ccc(Br)cc3n2)CCCC1 ZINC000289536770 563677638 /nfs/dbraw/zinc/67/76/38/563677638.db2.gz OYAWOHLAIJDXBY-UHFFFAOYSA-N 1 0 379.302 2.835 20 0 GFADRO O=C(C[NH2+][C@@H](CO)C1CCCC1)Nc1c(F)cc(F)cc1Br ZINC000289658161 563682176 /nfs/dbraw/zinc/68/21/76/563682176.db2.gz VVOXORICMSZTNG-ZDUSSCGKSA-N 1 0 377.229 2.807 20 0 GFADRO C[C@@H](O)c1ncc(C[NH2+]C[C@@H](CO)Cc2cccc(Br)c2)s1 ZINC000289697746 563683460 /nfs/dbraw/zinc/68/34/60/563683460.db2.gz NMDQJSVLVGCQSH-YPMHNXCESA-N 1 0 385.327 2.900 20 0 GFADRO O=C(N1CC[C@@H]2C[NH2+]C[C@@H]2C1)C1(c2ccc(Br)cc2)CCOCC1 ZINC000289696071 563683538 /nfs/dbraw/zinc/68/35/38/563683538.db2.gz KCZWWQZGLRMGAI-HUUCEWRRSA-N 1 0 393.325 2.565 20 0 GFADRO CC[N@H+](C)CCNC(=O)NC1CCN(Cc2cccc(Br)c2)CC1 ZINC000413177483 563684356 /nfs/dbraw/zinc/68/43/56/563684356.db2.gz ASQZRJSZVNJLKE-UHFFFAOYSA-N 1 0 397.361 2.664 20 0 GFADRO C[C@]1(C[C@H]2CCC[N@@H+]2Cc2cc(F)ccc2Br)NC(=O)NC1=O ZINC000289716034 563684443 /nfs/dbraw/zinc/68/44/43/563684443.db2.gz PCUMIXYUYPHMBO-MLGOLLRUSA-N 1 0 384.249 2.541 20 0 GFADRO Brc1cnn(CCCC[NH2+]Cc2ncc(C3OCCO3)s2)c1 ZINC000289787037 563686594 /nfs/dbraw/zinc/68/65/94/563686594.db2.gz RQGHLJVPYNMTBN-UHFFFAOYSA-N 1 0 387.303 2.718 20 0 GFADRO Cc1nn(-c2ccc(F)cc2)c(Cl)c1C[NH2+]C[C@H]1CCCS(=O)(=O)C1 ZINC000289936999 563691679 /nfs/dbraw/zinc/69/16/79/563691679.db2.gz AXVVDNLCELDPEI-CYBMUJFWSA-N 1 0 385.892 2.888 20 0 GFADRO CC(C)CN1CCC[C@@H]1C[NH2+]C1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000360813116 563695474 /nfs/dbraw/zinc/69/54/74/563695474.db2.gz WRVSKXJADZDGNN-QGZVFWFLSA-N 1 0 385.599 2.611 20 0 GFADRO COc1cc([C@H](C)[NH2+][C@@H](CO)C2CCCC2)ccc1S(=O)(=O)C(F)F ZINC000290071925 563697316 /nfs/dbraw/zinc/69/73/16/563697316.db2.gz GDSGCPDWCHHZAX-FZMZJTMJSA-N 1 0 377.453 2.893 20 0 GFADRO Cc1ccc(-n2nc(Br)cc2C(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000290134121 563699470 /nfs/dbraw/zinc/69/94/70/563699470.db2.gz MAJNIVLLFTWWOS-KGLIPLIRSA-N 1 0 389.297 2.625 20 0 GFADRO CS[C@@H]1CN(C(=O)[C@@H](C)Oc2ccc(C(F)(F)F)cc2)C[C@H]1[NH+](C)C ZINC000438130195 563702211 /nfs/dbraw/zinc/70/22/11/563702211.db2.gz LLWGEPHPUGXYDE-KCPJHIHWSA-N 1 0 376.444 2.977 20 0 GFADRO COc1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CNC(=O)C2)c(Br)c1OC ZINC000362080682 563703417 /nfs/dbraw/zinc/70/34/17/563703417.db2.gz TVCNBCKRARHQNJ-UONOGXRCSA-N 1 0 397.313 2.957 20 0 GFADRO Cc1ccc(C(=O)N2CCC(C)(C[NH+]3CCOCC3)CC2)c(Br)n1 ZINC000362281356 563705067 /nfs/dbraw/zinc/70/50/67/563705067.db2.gz OPAMVRWKIUZHBI-UHFFFAOYSA-N 1 0 396.329 2.727 20 0 GFADRO CC1CC[NH+](C[C@@H](O)CNC(=O)Nc2ccc(F)c(Br)c2)CC1 ZINC000438575797 563707198 /nfs/dbraw/zinc/70/71/98/563707198.db2.gz GIAWBLKWZCCXDK-ZDUSSCGKSA-N 1 0 388.281 2.803 20 0 GFADRO Cc1ncc(CN2CC[C@H]([NH2+][C@@H]3CCCC[C@@H]3S(C)(=O)=O)[C@@H](C)C2)s1 ZINC000362475419 563707808 /nfs/dbraw/zinc/70/78/08/563707808.db2.gz YNPPMSJRRZCMIU-RUGDWHBFSA-N 1 0 385.599 2.607 20 0 GFADRO COC(=O)[C@H](CC(C)C)NC(=O)C[NH2+]C(C)(C)c1ccc(Br)cc1 ZINC000438667662 563708949 /nfs/dbraw/zinc/70/89/49/563708949.db2.gz CIILVURLPQCPNI-HNNXBMFYSA-N 1 0 399.329 2.978 20 0 GFADRO COc1cc(C[NH2+][C@H](CO)c2cccc(Br)c2)cc(OC)c1O ZINC000290480261 563711198 /nfs/dbraw/zinc/71/11/98/563711198.db2.gz VHKSJTZSZDRVBJ-CQSZACIVSA-N 1 0 382.254 2.995 20 0 GFADRO O=C(c1cc(F)ccc1I)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000362966216 563711318 /nfs/dbraw/zinc/71/13/18/563711318.db2.gz BZXASZDYFXZEIV-GFCCVEGCSA-N 1 0 388.224 2.741 20 0 GFADRO O=C(NC1CC[NH+](Cc2cccs2)CC1)[C@@H]1CCCN1c1nccs1 ZINC000363007421 563711606 /nfs/dbraw/zinc/71/16/06/563711606.db2.gz HYJQFOFFMVEIMS-INIZCTEOSA-N 1 0 376.551 2.954 20 0 GFADRO OCC[C@@H]1CCCC[N@@H+]1C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000438846946 563712545 /nfs/dbraw/zinc/71/25/45/563712545.db2.gz BIELGBGZYPWYBM-LSDHHAIUSA-N 1 0 376.266 2.565 20 0 GFADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]CCOc1ccc(F)cc1F ZINC000438843080 563712597 /nfs/dbraw/zinc/71/25/97/563712597.db2.gz QKMFVHVLGWDVMS-LLVKDONJSA-N 1 0 387.224 2.946 20 0 GFADRO CN(Cc1ccccc1Br)C(=O)C1([NH+]2CCN(C)CC2)CCCC1 ZINC000363049534 563713641 /nfs/dbraw/zinc/71/36/41/563713641.db2.gz MRMGGUUKVBXUDX-UHFFFAOYSA-N 1 0 394.357 2.968 20 0 GFADRO CC[NH+]1CCC(NC(=O)[C@@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)CC1 ZINC000363087243 563714260 /nfs/dbraw/zinc/71/42/60/563714260.db2.gz ZNKGBGSWZXUZIP-AWEZNQCLSA-N 1 0 384.307 2.947 20 0 GFADRO O=C(NC[C@]1(N2CCOCC2)CCSC1)[C@H]1C[C@H]1c1cccc(Cl)c1 ZINC000363136960 563714769 /nfs/dbraw/zinc/71/47/69/563714769.db2.gz QFIOLMNKAPRGGI-JENIJYKNSA-N 1 0 380.941 2.768 20 0 GFADRO C[N@@H+]1CCC[C@H](N2CCN(CC(=O)Nc3cc(Cl)ccc3Cl)CC2)C1 ZINC000363219280 563717083 /nfs/dbraw/zinc/71/70/83/563717083.db2.gz QKHGOVAUAHELSK-HNNXBMFYSA-N 1 0 385.339 2.644 20 0 GFADRO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@@H]1Cc2ccccc2N(C)C1 ZINC000414138632 563720240 /nfs/dbraw/zinc/72/02/40/563720240.db2.gz PWFUWEIGMYJIBC-GJZGRUSLSA-N 1 0 390.325 2.898 20 0 GFADRO CN1CC[NH+](CCC2CCN(C(=O)c3nc(Cl)ccc3Cl)CC2)CC1 ZINC000363346533 563720497 /nfs/dbraw/zinc/72/04/97/563720497.db2.gz WDZREZNRLSLNGF-UHFFFAOYSA-N 1 0 385.339 2.878 20 0 GFADRO O[C@@H](COc1ccccc1F)C[NH+]1CCC(n2cc(Br)cn2)CC1 ZINC000363397395 563721331 /nfs/dbraw/zinc/72/13/31/563721331.db2.gz NSMFDIMQLPMMHE-OAHLLOKOSA-N 1 0 398.276 2.862 20 0 GFADRO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+]C2CCN(CC(F)F)CC2)c1 ZINC000414214959 563722625 /nfs/dbraw/zinc/72/26/25/563722625.db2.gz WFDQUDKGFZYZGY-UHFFFAOYSA-N 1 0 380.888 2.953 20 0 GFADRO OCC[N@@H+](Cc1ccccc1)C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000439434415 563724569 /nfs/dbraw/zinc/72/45/69/563724569.db2.gz BPJCYGYFOMPSOM-KRWDZBQOSA-N 1 0 398.272 2.822 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+][C@H](c2ccccc2)[C@@H]2CCCO2)cc1Cl ZINC000414291555 563725270 /nfs/dbraw/zinc/72/52/70/563725270.db2.gz BEIWYDNPUUGXBN-FUHWJXTLSA-N 1 0 380.897 2.997 20 0 GFADRO Cc1ccc([C@@H](C[NH2+]Cc2ccc(S(N)(=O)=O)c(Cl)c2)N(C)C)cc1 ZINC000414305221 563725383 /nfs/dbraw/zinc/72/53/83/563725383.db2.gz PSWJTSQDRMDQOP-QGZVFWFLSA-N 1 0 381.929 2.688 20 0 GFADRO C[N@H+](C[C@@H](O)COc1cc(F)cc(Br)c1)[C@H](CO)C(C)(C)C ZINC000439444225 563725758 /nfs/dbraw/zinc/72/57/58/563725758.db2.gz BCOHRCSTXXZGLM-UKRRQHHQSA-N 1 0 378.282 2.667 20 0 GFADRO COc1ccc([C@@H](C)[NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)cc1 ZINC000414309579 563726146 /nfs/dbraw/zinc/72/61/46/563726146.db2.gz YCCVDEJWVSGABS-LLVKDONJSA-N 1 0 399.310 2.956 20 0 GFADRO C[N@@H+]1CCC[C@@H](CNC(=O)CSc2cccc[n+]2[O-])[C@@H]1c1cccs1 ZINC000363559782 563726225 /nfs/dbraw/zinc/72/62/25/563726225.db2.gz HKMIGXDUTUUHNE-KBXCAEBGSA-N 1 0 377.535 2.673 20 0 GFADRO O[C@H](COc1cc(F)cc(Br)c1)C[N@@H+]1CCC[C@@H]2COCC[C@@H]21 ZINC000439459266 563726370 /nfs/dbraw/zinc/72/63/70/563726370.db2.gz VUVIBIIVSAQLGR-PVUWLOKVSA-N 1 0 388.277 2.829 20 0 GFADRO CC[C@@H]1CO[C@H](C)C[N@@H+]1C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000439460172 563726614 /nfs/dbraw/zinc/72/66/14/563726614.db2.gz WZRLTTODDUWFEW-DFBGVHRSSA-N 1 0 376.266 2.827 20 0 GFADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)[C@H]1CCC[C@H](O)C1 ZINC000439474029 563726693 /nfs/dbraw/zinc/72/66/93/563726693.db2.gz WQQFJICLXAKJBX-RDJZCZTQSA-N 1 0 383.330 2.890 20 0 GFADRO CC(C)c1n[nH]c(C(=O)N2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@H]3C2)c1Br ZINC000363658808 563729143 /nfs/dbraw/zinc/72/91/43/563729143.db2.gz CCQBZCIBAPDKST-AVGNSLFASA-N 1 0 381.318 2.852 20 0 GFADRO COc1ccc(Br)cc1C[C@@H](CO)CNC(=[NH2+])N1CCC(C)CC1 ZINC000414359274 563729458 /nfs/dbraw/zinc/72/94/58/563729458.db2.gz JMCDZZCXNVEWIT-CQSZACIVSA-N 1 0 398.345 2.865 20 0 GFADRO CC[NH+]1CCC(NS(=O)(=O)c2cc(C)c(Br)cc2F)CC1 ZINC000414370211 563729976 /nfs/dbraw/zinc/72/99/76/563729976.db2.gz KEYAZJXWPSXAHL-UHFFFAOYSA-N 1 0 379.295 2.659 20 0 GFADRO Cc1cc(C[NH2+]C[C@@H](O)CS(=O)(=O)c2cccs2)ccc1C(F)(F)F ZINC000414368408 563730256 /nfs/dbraw/zinc/73/02/56/563730256.db2.gz SHFGYUQGTMSWBH-CYBMUJFWSA-N 1 0 393.452 3.000 20 0 GFADRO O=C(C[NH+]1CCC(Cn2cc(Br)cn2)CC1)N1CCCCCC1 ZINC000363684493 563730376 /nfs/dbraw/zinc/73/03/76/563730376.db2.gz GXRVYDOURFHDRQ-UHFFFAOYSA-N 1 0 383.334 2.760 20 0 GFADRO CCc1ncc(C[NH2+]Cc2ccc(Br)cc2N2CCOCC2)cn1 ZINC000414375129 563730841 /nfs/dbraw/zinc/73/08/41/563730841.db2.gz DSIRYMXPHKSDFQ-UHFFFAOYSA-N 1 0 391.313 2.928 20 0 GFADRO O=C(/C=C/c1ccc(Br)cc1)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000363707245 563731012 /nfs/dbraw/zinc/73/10/12/563731012.db2.gz FQNPEHAZIUSSMI-ZNNBYXKUSA-N 1 0 379.298 2.832 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+][C@H]2CCCN(c3ccccc3)C2)cc1Cl ZINC000414390890 563732925 /nfs/dbraw/zinc/73/29/25/563732925.db2.gz JVPJHCJGAKXNKG-HNNXBMFYSA-N 1 0 379.913 2.746 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)c1nc2ccc(Br)cn2n1 ZINC000414394586 563733725 /nfs/dbraw/zinc/73/37/25/563733725.db2.gz FZYOZWCZVLHSSI-CYBMUJFWSA-N 1 0 394.317 2.876 20 0 GFADRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NS(=O)(=O)c1cc2c(cc1Cl)OCCO2 ZINC000440070908 563735277 /nfs/dbraw/zinc/73/52/77/563735277.db2.gz KXGVPEMGHVGRFJ-OLZOCXBDSA-N 1 0 388.917 2.510 20 0 GFADRO Cn1cc(C[NH2+]C[C@@H](O)COc2ccccc2Br)c(C(F)F)n1 ZINC000291226814 563735733 /nfs/dbraw/zinc/73/57/33/563735733.db2.gz PICAAQCERMSBEN-LLVKDONJSA-N 1 0 390.228 2.650 20 0 GFADRO Cc1cc(Br)ccc1C(=O)N1CCC([NH2+]C[C@H](O)C(C)C)CC1 ZINC000363910267 563736388 /nfs/dbraw/zinc/73/63/88/563736388.db2.gz QSLCJSHGHKXBAI-KRWDZBQOSA-N 1 0 383.330 2.969 20 0 GFADRO CC(C)(C)O[C@@H]1C[C@@H]([NH2+]Cc2ccc(S(C)(=O)=O)s2)[C@H]1n1cccn1 ZINC000414463438 563740521 /nfs/dbraw/zinc/74/05/21/563740521.db2.gz RPGVTPYCLPWYEX-IIAWOOMASA-N 1 0 383.539 2.635 20 0 GFADRO CC(C)(C)O[C@@H]1C[C@@H]([NH2+]Cc2ccc(S(C)(=O)=O)s2)[C@@H]1n1cccn1 ZINC000414463436 563740693 /nfs/dbraw/zinc/74/06/93/563740693.db2.gz RPGVTPYCLPWYEX-FMKPAKJESA-N 1 0 383.539 2.635 20 0 GFADRO COc1cc(C)c(Br)cc1S(=O)(=O)N1CCC[C@H](C)[C@H]1C[NH3+] ZINC000440409705 563741772 /nfs/dbraw/zinc/74/17/72/563741772.db2.gz OQTKXHNKLNCWSA-GXFFZTMASA-N 1 0 391.331 2.514 20 0 GFADRO C[C@H]1CCCN(S(=O)(=O)c2cc(Br)sc2Cl)[C@H]1C[NH3+] ZINC000440439727 563742122 /nfs/dbraw/zinc/74/21/22/563742122.db2.gz GQAPKURYZFJTQC-YUMQZZPRSA-N 1 0 387.752 2.912 20 0 GFADRO COc1cc(S(=O)(=O)NCc2ccc([C@H](C)[NH3+])cc2)ccc1Br ZINC000440424835 563742454 /nfs/dbraw/zinc/74/24/54/563742454.db2.gz ZABYZCRJRDXZAG-NSHDSACASA-N 1 0 399.310 2.956 20 0 GFADRO O=C(C[NH2+][C@]1(CO)CCCc2ccccc21)Nc1ccc(Br)cn1 ZINC000440474061 563742876 /nfs/dbraw/zinc/74/28/76/563742876.db2.gz PVFMNQBUNODXIZ-SFHVURJKSA-N 1 0 390.281 2.596 20 0 GFADRO CCNC(=O)NC(=O)C[NH+]1CCC(C)(c2ccc(Br)cc2)CC1 ZINC000440486132 563742908 /nfs/dbraw/zinc/74/29/08/563742908.db2.gz JMFRZDPAFHZDNX-UHFFFAOYSA-N 1 0 382.302 2.648 20 0 GFADRO CNC(=O)NC(=O)[C@H](C)[NH+]1CCC(C)(c2ccc(Br)cc2)CC1 ZINC000440492206 563743223 /nfs/dbraw/zinc/74/32/23/563743223.db2.gz SWQLJKFCQRUTDU-LBPRGKRZSA-N 1 0 382.302 2.647 20 0 GFADRO O=C(NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cc(Br)cs1 ZINC000440506796 563743871 /nfs/dbraw/zinc/74/38/71/563743871.db2.gz FDAKWMQMZKLWMP-KRWDZBQOSA-N 1 0 395.322 2.877 20 0 GFADRO CC(C)(O)C[N@@H+]1CCCN(C(=O)[C@H]2C[C@H]2c2cccc(Br)c2)CC1 ZINC000364157913 563744750 /nfs/dbraw/zinc/74/47/50/563744750.db2.gz BFYVIVVOYAYQFW-IRXDYDNUSA-N 1 0 395.341 2.858 20 0 GFADRO C[C@@H](CCc1ccc(Br)cc1)NC(=O)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O ZINC000364163820 563745587 /nfs/dbraw/zinc/74/55/87/563745587.db2.gz AJIAWOCWJZWICX-WWTUQBGBSA-N 1 0 393.325 2.701 20 0 GFADRO CC[C@](C[NH2+]Cc1ccc(S(C)(=O)=O)s1)(C(=O)OC)c1ccccc1 ZINC000414587798 563747934 /nfs/dbraw/zinc/74/79/34/563747934.db2.gz NGLVBZNMWBBSML-GOSISDBHSA-N 1 0 381.519 2.762 20 0 GFADRO Cc1csc(C(=O)N2CC[C@@H]3CC[N@@H+](C)[C@H]3C2)c1I ZINC000364310867 563748773 /nfs/dbraw/zinc/74/87/73/563748773.db2.gz UOIQGSLMDQMJBM-QWRGUYRKSA-N 1 0 390.290 2.827 20 0 GFADRO C[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2Br)[C@H]1C[NH3+] ZINC000440745585 563749430 /nfs/dbraw/zinc/74/94/30/563749430.db2.gz GUCMZZSMIPEWKM-CABZTGNLSA-N 1 0 381.723 2.850 20 0 GFADRO O=C(Nc1ccccc1I)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000414656113 563749465 /nfs/dbraw/zinc/74/94/65/563749465.db2.gz FKOYIAITHLEYMY-TXEJJXNPSA-N 1 0 385.249 2.755 20 0 GFADRO COCCCOc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000440759779 563749620 /nfs/dbraw/zinc/74/96/20/563749620.db2.gz YBFUQEIROSVYTC-ZFWWWQNUSA-N 1 0 390.933 2.503 20 0 GFADRO C[C@@H]1C[NH2+][C@@H](C)CN1S(=O)(=O)c1cc(Cl)c(Br)cc1F ZINC000440760046 563749678 /nfs/dbraw/zinc/74/96/78/563749678.db2.gz NGYKHEQBFMZYCX-JGVFFNPUSA-N 1 0 385.686 2.613 20 0 GFADRO Cc1cc(I)ccc1NC(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000414677527 563750151 /nfs/dbraw/zinc/75/01/51/563750151.db2.gz JFCJCRRUKDELHK-HNNXBMFYSA-N 1 0 385.249 2.817 20 0 GFADRO CN1C(=O)C[C@H](C(=O)NC2CC[NH+](C)CC2)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000364349355 563750696 /nfs/dbraw/zinc/75/06/96/563750696.db2.gz BICWEISPDJWECW-SUMWQHHRSA-N 1 0 384.307 2.723 20 0 GFADRO O=C(NC[C@H]1C[NH2+]CCO1)Nc1ccc(Br)c(C(F)(F)F)c1 ZINC000414704911 563750974 /nfs/dbraw/zinc/75/09/74/563750974.db2.gz DSCGURXAMOJAFG-SECBINFHSA-N 1 0 382.180 2.578 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCN(S(=O)(=O)c2cc(Cl)c(Br)cc2F)C1 ZINC000440829627 563751087 /nfs/dbraw/zinc/75/10/87/563751087.db2.gz FGDPRGDFRCFHIN-JGVFFNPUSA-N 1 0 385.686 2.599 20 0 GFADRO O=C(NCC[C@@H]1CCC[NH2+]C1)Nc1nnc(SCc2ccccc2)s1 ZINC000414704093 563751015 /nfs/dbraw/zinc/75/10/15/563751015.db2.gz JFQHDXKPFIBUDZ-ZDUSSCGKSA-N 1 0 377.539 3.342 20 0 GFADRO O=S(=O)(c1ccc(F)c(Br)c1)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000440852496 563752324 /nfs/dbraw/zinc/75/23/24/563752324.db2.gz ICDPLHSPKIIOKD-HNNXBMFYSA-N 1 0 391.306 2.741 20 0 GFADRO O=S(=O)(c1ccc(F)c(Br)c1)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000440852497 563752474 /nfs/dbraw/zinc/75/24/74/563752474.db2.gz ICDPLHSPKIIOKD-OAHLLOKOSA-N 1 0 391.306 2.741 20 0 GFADRO COc1cc(CN[C@H](C[NH3+])CC(C)C)cc(I)c1OC ZINC000414838996 563753975 /nfs/dbraw/zinc/75/39/75/563753975.db2.gz LFZBFNSHQJIYPM-LBPRGKRZSA-N 1 0 392.281 2.771 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000414912073 563754558 /nfs/dbraw/zinc/75/45/58/563754558.db2.gz UUPZUOZYGHSHSB-AWEZNQCLSA-N 1 0 397.317 2.609 20 0 GFADRO CN(CC[NH3+])C(=O)Nc1nnc(SCc2c(Cl)cccc2Cl)s1 ZINC000414912825 563754563 /nfs/dbraw/zinc/75/45/63/563754563.db2.gz LCWRTXCLUWFWJW-UHFFFAOYSA-N 1 0 392.337 3.560 20 0 GFADRO O=C(NCCC[NH2+]C1CC1)Nc1cc(Br)ccc1N1CCOCC1 ZINC000414935768 563754607 /nfs/dbraw/zinc/75/46/07/563754607.db2.gz WCPSIEDLAUVVOD-UHFFFAOYSA-N 1 0 397.317 2.549 20 0 GFADRO COC[C@]1(CN[C@@H](C)CC(=O)Nc2ccc(Br)cc2)CCC[NH2+]1 ZINC000414939670 563754710 /nfs/dbraw/zinc/75/47/10/563754710.db2.gz GSAKEIOCVSVYKK-SUMWQHHRSA-N 1 0 384.318 2.524 20 0 GFADRO COc1cc(CN[C@H]2CC[NH2+][C@@H](C)C2)cc(I)c1OC ZINC000414948967 563755565 /nfs/dbraw/zinc/75/55/65/563755565.db2.gz MYMRJWVMHZGHBV-JQWIXIFHSA-N 1 0 390.265 2.539 20 0 GFADRO CN1CC[NH2+]C[C@H]1CNCc1csc(-c2cccc(Br)c2)n1 ZINC000414982097 563755920 /nfs/dbraw/zinc/75/59/20/563755920.db2.gz YTMOEUWKUWXKND-HNNXBMFYSA-N 1 0 381.343 2.566 20 0 GFADRO CCOc1c(Br)cc(Br)cc1CN[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415021638 563756971 /nfs/dbraw/zinc/75/69/71/563756971.db2.gz CFVOGLNOFQFCEM-PJXYFTJBSA-N 1 0 390.119 2.918 20 0 GFADRO C[C@@H](O)C[N@H+](CC(=O)N(C)CC(F)(F)F)[C@H](C)Cc1ccc(Cl)cc1 ZINC000441270450 563757453 /nfs/dbraw/zinc/75/74/53/563757453.db2.gz UIFYRZFELRMPEZ-CHWSQXEVSA-N 1 0 380.838 2.975 20 0 GFADRO COc1ccc(I)c(NC(=O)NC2CCC([NH3+])CC2)c1 ZINC000415068007 563757695 /nfs/dbraw/zinc/75/76/95/563757695.db2.gz DCIIOSUKCVKGIQ-UHFFFAOYSA-N 1 0 389.237 2.691 20 0 GFADRO CN1CCC[C@]2(CC[N@H+](Cc3cnc4ccc(Br)cn34)C2)C1=O ZINC000364650325 563760447 /nfs/dbraw/zinc/76/04/47/563760447.db2.gz GSPJQNVYLJUEAG-QGZVFWFLSA-N 1 0 377.286 2.541 20 0 GFADRO [NH3+]Cc1cn([C@@H]2CCCN(Cc3ccc(Cl)cc3Br)C2)nn1 ZINC000415129754 563760546 /nfs/dbraw/zinc/76/05/46/563760546.db2.gz POSJMVYQBVOXDK-CQSZACIVSA-N 1 0 384.709 2.990 20 0 GFADRO CCSc1ccc(Cl)cc1NC(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000415153070 563761144 /nfs/dbraw/zinc/76/11/44/563761144.db2.gz WBQXSRCALFUYCM-GFCCVEGCSA-N 1 0 384.933 2.771 20 0 GFADRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)Nc1cc(Br)ccc1-n1cccn1 ZINC000415172790 563761683 /nfs/dbraw/zinc/76/16/83/563761683.db2.gz ZUEPYOONCIKCAQ-FZMZJTMJSA-N 1 0 378.274 2.754 20 0 GFADRO COc1ccc(NC(=O)N2CCC(OCCC[NH3+])CC2)cc1Br ZINC000415167325 563761815 /nfs/dbraw/zinc/76/18/15/563761815.db2.gz HFTOOQCBQJEXDX-UHFFFAOYSA-N 1 0 386.290 2.819 20 0 GFADRO CN(C(=O)Nc1ccc(CCn2cc(Br)cn2)cc1)C1CC([NH3+])C1 ZINC000415212371 563762227 /nfs/dbraw/zinc/76/22/27/563762227.db2.gz NQTWBBPQQCTMND-UHFFFAOYSA-N 1 0 392.301 2.842 20 0 GFADRO C[C@H](C[NH3+])N(C)C(=O)Nc1ccc(CCn2cc(Br)cn2)cc1 ZINC000415199450 563762252 /nfs/dbraw/zinc/76/22/52/563762252.db2.gz AJFZXJVRPHATPZ-GFCCVEGCSA-N 1 0 380.290 2.699 20 0 GFADRO [NH3+]C[C@@H]1CCCCN1C(=O)Nc1cc(F)c(F)cc1I ZINC000415243996 563763756 /nfs/dbraw/zinc/76/37/56/563763756.db2.gz WYXAHQMANTVUIW-QMMMGPOBSA-N 1 0 395.191 2.915 20 0 GFADRO C[C@@H]1CCN(C(=O)Nc2ccc(F)cc2I)C[C@H]1C[NH3+] ZINC000415251352 563764153 /nfs/dbraw/zinc/76/41/53/563764153.db2.gz MVGYTMSMEISFDU-NXEZZACHSA-N 1 0 391.228 2.879 20 0 GFADRO Cc1c(C(=O)N(C)[C@@H]2CCC[NH2+]CC2)nnn1-c1cccc(Br)c1 ZINC000364802727 563764629 /nfs/dbraw/zinc/76/46/29/563764629.db2.gz QXAOJDXKQYWGGH-CQSZACIVSA-N 1 0 392.301 2.552 20 0 GFADRO O=C(NC[C@H]1CCC[NH2+]1)Nc1cc(I)ccc1Cl ZINC000415275119 563764726 /nfs/dbraw/zinc/76/47/26/563764726.db2.gz YEZNAXFDKOSTMK-SECBINFHSA-N 1 0 379.629 2.818 20 0 GFADRO C[NH2+]C[C@H]1CCCN(C(=O)C(=O)Nc2ccc(Br)cc2C(C)C)C1 ZINC000415286529 563765241 /nfs/dbraw/zinc/76/52/41/563765241.db2.gz UFIBUCHMNPTFOD-CYBMUJFWSA-N 1 0 396.329 2.969 20 0 GFADRO C[NH+](C)[C@@H]1CCc2ccccc2[C@@H]1NC(=O)c1c[nH]c(=O)c(Br)c1 ZINC000364833456 563765690 /nfs/dbraw/zinc/76/56/90/563765690.db2.gz KQQOWECJZPQPMS-CVEARBPZSA-N 1 0 390.281 2.897 20 0 GFADRO Cc1cnc(Br)c(NC(=O)NC[C@H](C(C)C)[NH+]2CCN(C)CC2)c1 ZINC000291951908 563766127 /nfs/dbraw/zinc/76/61/27/563766127.db2.gz BRDIESVIGYFONS-OAHLLOKOSA-N 1 0 398.349 2.546 20 0 GFADRO CCOc1cc(Br)ccc1NC(=O)NC[C@@]1(COC)CCC[NH2+]1 ZINC000415305243 563766288 /nfs/dbraw/zinc/76/62/88/563766288.db2.gz VCUNMXKXDQEXSV-MRXNPFEDSA-N 1 0 386.290 2.738 20 0 GFADRO O=C(NC[C@@H]1CCC[NH2+]C1)C(=O)Nc1ccc(-c2ccc(Cl)s2)nc1 ZINC000415324430 563766639 /nfs/dbraw/zinc/76/66/39/563766639.db2.gz DTMTWZVAAQMEPI-LLVKDONJSA-N 1 0 378.885 2.518 20 0 GFADRO CCOC(=O)c1c(NC(=O)N2CC[NH2+]C(C)(C)C2)sc2c1CCSC2 ZINC000415331537 563767518 /nfs/dbraw/zinc/76/75/18/563767518.db2.gz HALDJYRBJSYGPF-UHFFFAOYSA-N 1 0 383.539 2.930 20 0 GFADRO COC(=O)c1cc(Br)ccc1NC(=O)N1CCC([C@@H](C)[NH3+])CC1 ZINC000415336635 563768154 /nfs/dbraw/zinc/76/81/54/563768154.db2.gz SPYZOAZPWVVVJM-SNVBAGLBSA-N 1 0 384.274 2.827 20 0 GFADRO C[C@@H](NC(=O)C(=O)Nc1cc(Cl)ccc1C(F)(F)F)[C@H]1CCC[NH2+]C1 ZINC000415343753 563768196 /nfs/dbraw/zinc/76/81/96/563768196.db2.gz CDQFKAGPGYARFP-ZJUUUORDSA-N 1 0 377.794 2.802 20 0 GFADRO CCOC(=O)c1cc(Br)ccc1NC(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000415342477 563768312 /nfs/dbraw/zinc/76/83/12/563768312.db2.gz ABAUWMQYWGSSIN-LLVKDONJSA-N 1 0 384.274 2.747 20 0 GFADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CNc2cc(Cl)cc(F)c2F)C1 ZINC000442126643 563768524 /nfs/dbraw/zinc/76/85/24/563768524.db2.gz KBVUEUKVYBJASG-CYBMUJFWSA-N 1 0 375.847 2.503 20 0 GFADRO CO[C@H]1CCN(C(=O)Nc2cc(F)c(Br)cc2F)[C@@H](C[NH3+])C1 ZINC000415347329 563768707 /nfs/dbraw/zinc/76/87/07/563768707.db2.gz CXWSRDYJJHVQRY-BDAKNGLRSA-N 1 0 378.217 2.697 20 0 GFADRO C[C@H]1C[C@H](NC(=O)C(=O)Nc2ccc(C(F)(F)F)cc2Cl)CC[N@@H+]1C ZINC000442151813 563768751 /nfs/dbraw/zinc/76/87/51/563768751.db2.gz QVKNIHREBLGIOY-GXSJLCMTSA-N 1 0 377.794 2.896 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N[C@@H](C)[C@H]2CCC[NH2+]C2)cc1Br ZINC000415348483 563768843 /nfs/dbraw/zinc/76/88/43/563768843.db2.gz KUNNJYMQVOUCKR-STQMWFEESA-N 1 0 382.302 2.509 20 0 GFADRO C[C@H](NC(=O)C(=O)Nc1cc(Cl)cc(Br)c1)[C@@H]1CCC[NH2+]C1 ZINC000415345000 563768852 /nfs/dbraw/zinc/76/88/52/563768852.db2.gz FKHJCRVPJJBCAO-VHSXEESVSA-N 1 0 388.693 2.545 20 0 GFADRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)Nc1cccc(F)c1I ZINC000415352825 563769358 /nfs/dbraw/zinc/76/93/58/563769358.db2.gz CAGYXNJELXTJEO-DTWKUNHWSA-N 1 0 377.201 2.644 20 0 GFADRO C[NH2+]C[C@H]1CCCN1C(=O)Nc1cnn(-c2ccccc2Br)c1 ZINC000415359323 563770604 /nfs/dbraw/zinc/77/06/04/563770604.db2.gz WDODOQVNLZWMNG-CYBMUJFWSA-N 1 0 378.274 2.851 20 0 GFADRO CCCN(C(=O)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[C@H]1CC[NH2+]C1 ZINC000415396957 563772638 /nfs/dbraw/zinc/77/26/38/563772638.db2.gz VDMOPOSUZPREKU-NSHDSACASA-N 1 0 377.794 2.898 20 0 GFADRO COC(=O)c1cc(NC(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)ccc1Br ZINC000415403530 563773184 /nfs/dbraw/zinc/77/31/84/563773184.db2.gz KNGADCURMJAYRP-KRWDZBQOSA-N 1 0 396.285 2.843 20 0 GFADRO COC(=O)c1cc(NC(=O)N2CC[C@H](C)[C@H](C[NH3+])C2)ccc1Br ZINC000415402199 563773279 /nfs/dbraw/zinc/77/32/79/563773279.db2.gz IMBJXZLGTDNUSA-WDEREUQCSA-N 1 0 384.274 2.684 20 0 GFADRO Cc1cc(F)c(NC(=O)N(C)[C@H](C[NH3+])C2CC2)c(I)c1 ZINC000415413476 563773788 /nfs/dbraw/zinc/77/37/88/563773788.db2.gz YTQOJKYKEHFFJL-GFCCVEGCSA-N 1 0 391.228 2.940 20 0 GFADRO COCCOc1ccc(Br)cc1NC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000415424338 563774125 /nfs/dbraw/zinc/77/41/25/563774125.db2.gz IIUIAJPSRZRAHS-CQSZACIVSA-N 1 0 398.301 2.833 20 0 GFADRO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)Nc1cc(Cl)cc(Br)c1 ZINC000415422995 563774201 /nfs/dbraw/zinc/77/42/01/563774201.db2.gz FKXQUNZNOHWCJH-GFCCVEGCSA-N 1 0 376.682 2.531 20 0 GFADRO COCCOc1ccc(Br)cc1NC(=O)N1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000415424416 563774213 /nfs/dbraw/zinc/77/42/13/563774213.db2.gz ITVZJQWDTHXSFA-AAEUAGOBSA-N 1 0 386.290 2.675 20 0 GFADRO Cc1c(I)cccc1C(=O)N1CC[C@@]2(CCC[C@H]2[NH3+])C1 ZINC000365106941 563774509 /nfs/dbraw/zinc/77/45/09/563774509.db2.gz WSVZYOVZWPKYOB-ZBFHGGJFSA-N 1 0 384.261 2.943 20 0 GFADRO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)Nc1cc(Cl)ccc1OC(F)(F)F ZINC000415427245 563774844 /nfs/dbraw/zinc/77/48/44/563774844.db2.gz MTRFSBWGGZMTHU-SNVBAGLBSA-N 1 0 381.782 2.667 20 0 GFADRO Cc1ccc(Br)c(NC(=O)C(=O)N[C@@H](C[NH3+])C2CCCCC2)c1 ZINC000415427963 563775063 /nfs/dbraw/zinc/77/50/63/563775063.db2.gz PMCHFTJRHONERS-HNNXBMFYSA-N 1 0 382.302 2.720 20 0 GFADRO CS(=O)(=O)c1ccc(NC(=O)N[C@@H](C[NH3+])C2CCCC2)cc1C(F)F ZINC000415439449 563775651 /nfs/dbraw/zinc/77/56/51/563775651.db2.gz QRHQGSOJHPRDKK-ZDUSSCGKSA-N 1 0 375.441 2.667 20 0 GFADRO [NH3+]CC[C@H]1CCCN(C(=O)[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C1 ZINC000442621989 563775819 /nfs/dbraw/zinc/77/58/19/563775819.db2.gz VJNBIWUOPWQKPT-OCCSQVGLSA-N 1 0 384.307 2.934 20 0 GFADRO O=C(Nc1ccc(Br)c(F)c1)C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000415451760 563776198 /nfs/dbraw/zinc/77/61/98/563776198.db2.gz OEZXYOGFQORTRG-UHFFFAOYSA-N 1 0 398.276 2.517 20 0 GFADRO CCOCCOc1ccc(Br)cc1NC(=O)N1CCC[C@@H]1C[NH3+] ZINC000415461671 563776934 /nfs/dbraw/zinc/77/69/34/563776934.db2.gz OCOIPVYAQJCUJU-CYBMUJFWSA-N 1 0 386.290 2.819 20 0 GFADRO CCC([NH3+])(CC)CNC(=O)C(=O)Nc1cccc(Cl)c1Br ZINC000415473896 563778174 /nfs/dbraw/zinc/77/81/74/563778174.db2.gz IOFMQYFHOSASCS-UHFFFAOYSA-N 1 0 376.682 2.675 20 0 GFADRO CC(C)(C)[C@H](C[NH3+])NC(=O)Nc1cc(Br)cnc1-n1cccn1 ZINC000415477180 563778235 /nfs/dbraw/zinc/77/82/35/563778235.db2.gz DPZUJOBXBLLMOY-LBPRGKRZSA-N 1 0 381.278 2.525 20 0 GFADRO C[C@@H](CCCC[NH3+])NC(=O)Nc1cc(Br)cnc1-n1cccn1 ZINC000415478581 563778263 /nfs/dbraw/zinc/77/82/63/563778263.db2.gz GFLSHTONWNGCJO-NSHDSACASA-N 1 0 381.278 2.669 20 0 GFADRO Cc1cc(F)c(Br)cc1NC(=O)C(=O)N(C)CC[C@@H]([NH3+])C(C)C ZINC000415483791 563778319 /nfs/dbraw/zinc/77/83/19/563778319.db2.gz HEYXYEVNTCNDJL-CYBMUJFWSA-N 1 0 388.281 2.667 20 0 GFADRO C[C@@H]1CN(C[C@@H]2CCS(=O)(=O)C2)C[C@H](c2cccc(C(F)(F)F)c2)O1 ZINC000292211085 563778549 /nfs/dbraw/zinc/77/85/49/563778549.db2.gz MLJDSSKPGFHKGX-DVOMOZLQSA-N 1 0 377.428 2.902 20 0 GFADRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)Nc3nnc(-c4cccc(Cl)c4)s3)C[C@@H]21 ZINC000415500406 563779869 /nfs/dbraw/zinc/77/98/69/563779869.db2.gz MUMBRPCBVAHCIO-FPMFFAJLSA-N 1 0 377.901 3.450 20 0 GFADRO CCCN(C(=O)C(=O)Nc1cc(Br)c(C)cc1C)C1CC[NH2+]CC1 ZINC000415507520 563780447 /nfs/dbraw/zinc/78/04/47/563780447.db2.gz VQWSROUJTSSGTJ-UHFFFAOYSA-N 1 0 396.329 2.995 20 0 GFADRO C[C@H]1C[N@@H+](C2CCN(C(=O)Cc3ccc(Br)cc3)CC2)CCO1 ZINC000365356302 563780801 /nfs/dbraw/zinc/78/08/01/563780801.db2.gz GXRZDIZOGVCQGL-AWEZNQCLSA-N 1 0 381.314 2.703 20 0 GFADRO C[C@H](CC(=O)NCC1(O)CC[NH+](C)CC1)c1ccc(F)c(Br)c1 ZINC000292269788 563780956 /nfs/dbraw/zinc/78/09/56/563780956.db2.gz WSHFCQGFLDCNRX-GFCCVEGCSA-N 1 0 387.293 2.655 20 0 GFADRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)Nc1ccnn1Cc1ccccc1Br ZINC000415519318 563780962 /nfs/dbraw/zinc/78/09/62/563780962.db2.gz FOKMUWQVSXZDLM-SWLSCSKDSA-N 1 0 392.301 2.813 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)Nc2ccnn2Cc2ccc(Br)cc2)CC[NH2+]1 ZINC000415521943 563781204 /nfs/dbraw/zinc/78/12/04/563781204.db2.gz CZFSRPXYQVMRLK-DOMZBBRYSA-N 1 0 392.301 2.956 20 0 GFADRO C[NH2+][C@@H]1CCCN(C(=O)Nc2ccnn2Cc2ccc(Br)cc2)C1 ZINC000415522994 563781235 /nfs/dbraw/zinc/78/12/35/563781235.db2.gz FFHGDQNJUSALMD-OAHLLOKOSA-N 1 0 392.301 2.910 20 0 GFADRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)Nc1ccnn1Cc1ccc(Br)cc1 ZINC000415522400 563781331 /nfs/dbraw/zinc/78/13/31/563781331.db2.gz DJTKIKAKOFXKMM-GXTWGEPZSA-N 1 0 392.301 2.895 20 0 GFADRO COc1cc(OC)c(NC(=O)N[C@H]2CC[NH2+]CC2(C)C)cc1Br ZINC000415525687 563781857 /nfs/dbraw/zinc/78/18/57/563781857.db2.gz DOLAIUSQXUVPCZ-AWEZNQCLSA-N 1 0 386.290 2.976 20 0 GFADRO C[C@H](c1ccccc1)[C@@H]([NH2+]C[C@H](O)c1ccc(F)c(Br)c1)C(N)=O ZINC000292312420 563782332 /nfs/dbraw/zinc/78/23/32/563782332.db2.gz VLDOERZMIJXHIG-ZTFRIQLXSA-N 1 0 395.272 2.869 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(S(=O)(=O)c2c(Cl)cnn2C)CC1 ZINC000365434521 563782997 /nfs/dbraw/zinc/78/29/97/563782997.db2.gz GGLRYLGNSLWBGR-CQSZACIVSA-N 1 0 388.965 2.739 20 0 GFADRO C[C@@H]([NH3+])[C@H](C)NC(=O)Nc1nc2ccc(I)cc2s1 ZINC000415532733 563783356 /nfs/dbraw/zinc/78/33/56/563783356.db2.gz ZZMKBQSBBWZEMK-RQJHMYQMSA-N 1 0 390.250 2.758 20 0 GFADRO Cc1ccc(F)c(Br)c1NC(=O)C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000415541906 563783687 /nfs/dbraw/zinc/78/36/87/563783687.db2.gz OXWOHTOHRGHSOQ-FOSCPWQOSA-N 1 0 398.276 2.577 20 0 GFADRO CSC[C@](C)(O)CNC(=O)NC[C@H]1CC[N@H+](C)[C@H]1c1cccc(Cl)c1 ZINC000365455666 563783655 /nfs/dbraw/zinc/78/36/55/563783655.db2.gz KINQAOUATFWZTR-UWWQBHOKSA-N 1 0 385.961 2.746 20 0 GFADRO CC1(CNC(=O)C(=O)Nc2cc(Cl)ccc2Br)CC[NH2+]CC1 ZINC000415567937 563784677 /nfs/dbraw/zinc/78/46/77/563784677.db2.gz YICRZDLBJWWYMO-UHFFFAOYSA-N 1 0 388.693 2.547 20 0 GFADRO C[C@]1(CNC(=O)C(=O)Nc2cc(Cl)cc(C(F)(F)F)c2)CCC[NH2+]C1 ZINC000415576568 563785261 /nfs/dbraw/zinc/78/52/61/563785261.db2.gz WEJWVDZZHIOOBI-HNNXBMFYSA-N 1 0 377.794 2.803 20 0 GFADRO C[NH2+][C@@H]1CCCN(C(=O)Nc2ccc(Br)c(C(=O)OC)c2C)C1 ZINC000415593886 563786389 /nfs/dbraw/zinc/78/63/89/563786389.db2.gz FPKZMIVEJRZAHM-LLVKDONJSA-N 1 0 384.274 2.760 20 0 GFADRO COC(=O)c1cccc(NC(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)c1Br ZINC000415594928 563786503 /nfs/dbraw/zinc/78/65/03/563786503.db2.gz ABUUYDHMPSMCBU-MNOVXSKESA-N 1 0 382.258 2.594 20 0 GFADRO COc1ccc(NC(=O)N[C@@H]2CC[NH2+][C@@H](C)C2)c(I)c1 ZINC000415603064 563786990 /nfs/dbraw/zinc/78/69/90/563786990.db2.gz ZKDCUIDWVYLCBG-VHSXEESVSA-N 1 0 389.237 2.562 20 0 GFADRO COC(=O)c1cccc(NC(=O)N2CC[C@@H](C)[C@H](C[NH3+])C2)c1Br ZINC000415617771 563787970 /nfs/dbraw/zinc/78/79/70/563787970.db2.gz VYGAHFQHFUKKFQ-GHMZBOCLSA-N 1 0 384.274 2.684 20 0 GFADRO COC(=O)c1cccc(NC(=O)N2CC[C@H](C)[C@@H](C[NH3+])C2)c1Br ZINC000415617773 563788090 /nfs/dbraw/zinc/78/80/90/563788090.db2.gz VYGAHFQHFUKKFQ-QWRGUYRKSA-N 1 0 384.274 2.684 20 0 GFADRO [NH3+][C@H]1CCC[C@H](NC(=O)C(=O)Nc2cc(F)c(Br)cc2Cl)C1 ZINC000415638317 563789346 /nfs/dbraw/zinc/78/93/46/563789346.db2.gz BGWVGZIPVDBJFV-YUMQZZPRSA-N 1 0 392.656 2.566 20 0 GFADRO COC(=O)c1cc(F)c(Br)cc1NC(=O)N1C[C@@H](C[NH3+])C[C@@H]1C ZINC000415632054 563789426 /nfs/dbraw/zinc/78/94/26/563789426.db2.gz QCGYCGWPFHVKQF-DTWKUNHWSA-N 1 0 388.237 2.576 20 0 GFADRO COC(=O)c1sccc1S(=O)(=O)NCCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000443099291 563791652 /nfs/dbraw/zinc/79/16/52/563791652.db2.gz SNMRPJRNYKONKL-KBPBESRZSA-N 1 0 388.555 2.571 20 0 GFADRO COC(=O)c1cc(NC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)c(C)cc1Br ZINC000415704823 563791945 /nfs/dbraw/zinc/79/19/45/563791945.db2.gz IGCSXKNJAULWMK-VXGBXAGGSA-N 1 0 396.285 2.617 20 0 GFADRO CC[NH+]1CCC(NC(=O)c2ccn(-c3ccc(Br)cc3)n2)CC1 ZINC000292639411 563792331 /nfs/dbraw/zinc/79/23/31/563792331.db2.gz FVGSIGRXSSZIOU-UHFFFAOYSA-N 1 0 377.286 2.849 20 0 GFADRO Cc1cc(I)cc(NC(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000415717297 563793103 /nfs/dbraw/zinc/79/31/03/563793103.db2.gz YAMXWNMJQDXBTI-BXUZGUMPSA-N 1 0 385.249 2.815 20 0 GFADRO CO[C@H]1CCN(C(=O)Nc2cccc3cc(Br)cnc32)[C@H](C[NH3+])C1 ZINC000415735698 563793582 /nfs/dbraw/zinc/79/35/82/563793582.db2.gz ZLBDBGHEMHODLG-KBPBESRZSA-N 1 0 393.285 2.967 20 0 GFADRO C[C@H](CCC[NH3+])NC(=O)C(=O)Nc1cccc(Cl)c1SCC(F)F ZINC000415759060 563794995 /nfs/dbraw/zinc/79/49/95/563794995.db2.gz JJDBQGDIRZDXTR-SECBINFHSA-N 1 0 379.860 2.879 20 0 GFADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@H](C)c1ccc(Br)s1 ZINC000443197816 563795015 /nfs/dbraw/zinc/79/50/15/563795015.db2.gz YHGGZMSYYJKOEV-NEPJUHHUSA-N 1 0 390.347 2.982 20 0 GFADRO C[N@@H+]1CC[C@]2(CCN(Cc3ccc(Br)cc3N3CCOCC3)C2)C1 ZINC000292773463 563795446 /nfs/dbraw/zinc/79/54/46/563795446.db2.gz KSVSWZPQOUCGTL-IBGZPJMESA-N 1 0 394.357 2.813 20 0 GFADRO CSc1ccc(NC(=O)C(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)cc1Cl ZINC000415770788 563795612 /nfs/dbraw/zinc/79/56/12/563795612.db2.gz YXZRHJBTKPRDNO-ZDUSSCGKSA-N 1 0 381.929 2.849 20 0 GFADRO COc1cc(I)ccc1NC(=O)N[C@@H](C[NH3+])CC(C)C ZINC000415770147 563795811 /nfs/dbraw/zinc/79/58/11/563795811.db2.gz GCAFGICVTQZHNI-LLVKDONJSA-N 1 0 391.253 2.795 20 0 GFADRO C[C@H]1CN(c2ncc(Cl)cc2Br)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000365951962 563795911 /nfs/dbraw/zinc/79/59/11/563795911.db2.gz AMCMZARBNUBDQJ-SWLSCSKDSA-N 1 0 387.753 2.960 20 0 GFADRO CC(C)c1cc(Br)ccc1NC(=O)C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000415778914 563796291 /nfs/dbraw/zinc/79/62/91/563796291.db2.gz KEOGTIVKZJMSJJ-DOMZBBRYSA-N 1 0 394.313 2.721 20 0 GFADRO O=C(Nc1cc(Cl)ccc1C(F)(F)F)C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000415779864 563796338 /nfs/dbraw/zinc/79/63/38/563796338.db2.gz LIKVSGYLNYVYRS-CABZTGNLSA-N 1 0 375.778 2.508 20 0 GFADRO COc1cc(I)ccc1NC(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000415775991 563796366 /nfs/dbraw/zinc/79/63/66/563796366.db2.gz WACRRMVUAQKIPO-ZJUUUORDSA-N 1 0 389.237 2.514 20 0 GFADRO O=C(NCCC[C@@H]1CCC[NH2+]1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000415801180 563796758 /nfs/dbraw/zinc/79/67/58/563796758.db2.gz GBAPDBDVLHZEKP-NSHDSACASA-N 1 0 377.794 2.946 20 0 GFADRO CC(C)Sc1c(Cl)cccc1NC(=O)C(=O)N[C@H](CC[NH3+])C(F)F ZINC000415795793 563796836 /nfs/dbraw/zinc/79/68/36/563796836.db2.gz XETJFLRWYDGKRH-LLVKDONJSA-N 1 0 379.860 2.878 20 0 GFADRO CCOc1c(Cl)cc(NC(=O)C(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1Cl ZINC000415797602 563796888 /nfs/dbraw/zinc/79/68/88/563796888.db2.gz WIWRHUPRNHTQRA-QMTHXVAHSA-N 1 0 386.279 2.541 20 0 GFADRO CN(C(=O)C(=O)Nc1ccc(Br)c(Cl)c1Cl)C1CC([NH3+])C1 ZINC000415804084 563796897 /nfs/dbraw/zinc/79/68/97/563796897.db2.gz HQZYEBXIUKKSFU-UHFFFAOYSA-N 1 0 395.084 2.643 20 0 GFADRO CCOc1c(Cl)cc(NC(=O)C(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)cc1Cl ZINC000415819740 563798436 /nfs/dbraw/zinc/79/84/36/563798436.db2.gz YPSOUHSHSXDQHH-WDEREUQCSA-N 1 0 388.295 2.964 20 0 GFADRO CCOc1c(Cl)cc(NC(=O)C(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)cc1Cl ZINC000415819738 563798475 /nfs/dbraw/zinc/79/84/75/563798475.db2.gz YPSOUHSHSXDQHH-MNOVXSKESA-N 1 0 388.295 2.964 20 0 GFADRO [NH3+]C[C@@H](NC(=O)C(=O)Nc1ccc(Cl)c(Br)c1)C1CCCC1 ZINC000415843956 563798988 /nfs/dbraw/zinc/79/89/88/563798988.db2.gz QKCGBHKJZBKZFA-CYBMUJFWSA-N 1 0 388.693 2.675 20 0 GFADRO [NH3+]C[C@H]1CC[C@@H](NC(=O)C(=O)Nc2ccc(-c3ccc(Cl)s3)nc2)C1 ZINC000415850080 563799569 /nfs/dbraw/zinc/79/95/69/563799569.db2.gz ZOVQXHBHBUYRSW-WDEREUQCSA-N 1 0 378.885 2.646 20 0 GFADRO CC(C)[N@H+](C)CCCNC(=O)C(=O)Nc1ccc(Br)c(C2CC2)n1 ZINC000293062234 563799617 /nfs/dbraw/zinc/79/96/17/563799617.db2.gz PAILWACPNDKTMM-UHFFFAOYSA-N 1 0 397.317 2.507 20 0 GFADRO [NH3+]CC[C@@H](NC(=O)C(=O)Nc1cc(Cl)cc(C(F)(F)F)c1)C(F)(F)F ZINC000415845353 563799718 /nfs/dbraw/zinc/79/97/18/563799718.db2.gz UVGWMYMROSVWHE-SECBINFHSA-N 1 0 391.699 2.693 20 0 GFADRO Cc1ccc(Br)c(NC(=O)C(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000415854086 563799833 /nfs/dbraw/zinc/79/98/33/563799833.db2.gz MJXMLWOSXQNSFF-ZIAGYGMSSA-N 1 0 394.313 2.544 20 0 GFADRO Cn1cc(Br)c(C(=O)Nc2ccc3ccn(CC[NH+](C)C)c3c2)n1 ZINC000293140510 563801694 /nfs/dbraw/zinc/80/16/94/563801694.db2.gz KYCRJJMXEFMSPH-UHFFFAOYSA-N 1 0 390.285 2.951 20 0 GFADRO C[C@@H](Cc1cccc(Br)c1)NC(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000415996995 563801678 /nfs/dbraw/zinc/80/16/78/563801678.db2.gz QOVSAMOPYWOKJN-JOYOIKCWSA-N 1 0 382.224 2.959 20 0 GFADRO C[C@@H]([NH2+]C[C@@H]1CCCN(S(C)(=O)=O)C1)c1ccc(Br)s1 ZINC000443347098 563802126 /nfs/dbraw/zinc/80/21/26/563802126.db2.gz QWMAMEOIKFRPHF-MNOVXSKESA-N 1 0 381.361 2.833 20 0 GFADRO [NH3+]CC[C@@H](NC(=O)N[C@@H]1CCCN(c2ccccc2Cl)C1)C(F)(F)F ZINC000416012921 563802288 /nfs/dbraw/zinc/80/22/88/563802288.db2.gz SWJOXDXBSQMYFJ-BXUZGUMPSA-N 1 0 378.826 2.888 20 0 GFADRO C[C@@H](Cc1ccccc1Br)NC(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000416019531 563802308 /nfs/dbraw/zinc/80/23/08/563802308.db2.gz ZZZMKCUPKUQKSU-CABZTGNLSA-N 1 0 382.224 2.959 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(Br)cc2)C[C@@H]1C ZINC000443377941 563803442 /nfs/dbraw/zinc/80/34/42/563803442.db2.gz ZXOOZOCTOPDZSP-WFASDCNBSA-N 1 0 382.302 2.719 20 0 GFADRO [NH3+]CC[C@@H](NC(=O)N[C@H](CCO)c1ccc(Cl)c(Cl)c1)C(F)(F)F ZINC000416051956 563804689 /nfs/dbraw/zinc/80/46/89/563804689.db2.gz UAUKHDXHXIDRKL-VXGBXAGGSA-N 1 0 388.217 2.996 20 0 GFADRO O=C1NC(=O)[C@@H]2C[N@H+](CCSc3ccnc4cc(Cl)ccc43)CC[C@@H]12 ZINC000366303668 563804974 /nfs/dbraw/zinc/80/49/74/563804974.db2.gz AEDWSEHVKSMENG-TZMCWYRMSA-N 1 0 375.881 2.575 20 0 GFADRO CC[N@@H+]1CCc2c(cccc2NC(=O)Cn2cc(Br)ccc2=O)C1 ZINC000366370293 563806891 /nfs/dbraw/zinc/80/68/91/563806891.db2.gz FVXWRFIZRYQPCI-UHFFFAOYSA-N 1 0 390.281 2.628 20 0 GFADRO C[C@@H](CNC(=O)C(=O)Nc1cccnc1-c1ccc(Cl)s1)C[NH+](C)C ZINC000293309934 563807212 /nfs/dbraw/zinc/80/72/12/563807212.db2.gz XDFYDCYLOMYFFE-NSHDSACASA-N 1 0 380.901 2.716 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2C(=O)Cc1ccc(Br)cc1 ZINC000366429413 563808407 /nfs/dbraw/zinc/80/84/07/563808407.db2.gz NDCOTSNNPCQACI-IKGGRYGDSA-N 1 0 381.314 2.702 20 0 GFADRO CC[C@H](N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000366457069 563808937 /nfs/dbraw/zinc/80/89/37/563808937.db2.gz GTXSSEHRAIJBRC-INMHGKMJSA-N 1 0 385.961 2.916 20 0 GFADRO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)CCCc1ccc(Br)s1 ZINC000416287151 563813901 /nfs/dbraw/zinc/81/39/01/563813901.db2.gz BTPXLDPQOKLDFV-QWHCGFSZSA-N 1 0 389.359 2.747 20 0 GFADRO O=C(c1[nH]nc(-c2ccccc2)c1Br)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000366602723 563815418 /nfs/dbraw/zinc/81/54/18/563815418.db2.gz RJFMPTFYZWVVPN-QWHCGFSZSA-N 1 0 375.270 2.663 20 0 GFADRO C[C@H](OC[C@@H](O)CN1CC[NH+]([C@H]2CCSC2)CC1)c1ccc(Cl)cc1 ZINC000366661908 563816811 /nfs/dbraw/zinc/81/68/11/563816811.db2.gz HEJYNKSAIYZFOB-SNRMKQJTSA-N 1 0 384.973 2.902 20 0 GFADRO CCOC1CC(O)(C[NH2+]Cc2nc(-c3ccc(Br)cc3)c[nH]2)C1 ZINC000444013616 563817500 /nfs/dbraw/zinc/81/75/00/563817500.db2.gz YWDBGZFWGISXQH-UHFFFAOYSA-N 1 0 380.286 2.859 20 0 GFADRO CNS(=O)(=O)[C@@H]1CCN([C@@H](C)c2nc(C)c(-c3ccc(Cl)cc3)o2)C1 ZINC000366719050 563817788 /nfs/dbraw/zinc/81/77/88/563817788.db2.gz LQDFDPGBNSYUFZ-SWLSCSKDSA-N 1 0 383.901 2.988 20 0 GFADRO COc1ccc(CC[NH2+][C@@H]2CCCC[C@@H]2S(C)(=O)=O)c(Cl)c1OC ZINC000293566241 563818984 /nfs/dbraw/zinc/81/89/84/563818984.db2.gz AXWHZXAZYLYRQO-HIFRSBDPSA-N 1 0 375.918 2.845 20 0 GFADRO O=C1CO[C@@H]2CC[N@@H+](CCSc3ccnc4cc(Cl)ccc43)C[C@@H]2N1 ZINC000366791468 563820301 /nfs/dbraw/zinc/82/03/01/563820301.db2.gz RGPMKNIBOARRTL-JKSUJKDBSA-N 1 0 377.897 2.570 20 0 GFADRO COC(=O)c1c(Cl)cccc1S(=O)(=O)NC[C@H](C)[NH+]1CCC(C)CC1 ZINC000416386227 563821438 /nfs/dbraw/zinc/82/14/38/563821438.db2.gz IMAZAQQSZAKDQA-ZDUSSCGKSA-N 1 0 388.917 2.525 20 0 GFADRO O=C(Nc1cc(-c2cc(Br)ccc2Cl)[nH]n1)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000444116769 563821893 /nfs/dbraw/zinc/82/18/93/563821893.db2.gz QTCKEKCFLPLCKY-MEDUHNTESA-N 1 0 395.688 3.431 20 0 GFADRO CS(=O)(=O)N1CC[C@@H](C[N@@H+]2CCC[C@@H]2c2ccccc2Br)C1 ZINC000366887117 563823887 /nfs/dbraw/zinc/82/38/87/563823887.db2.gz UXVKZGDQUQHQIW-XJKSGUPXSA-N 1 0 387.343 2.868 20 0 GFADRO COc1ccc(Br)c(C(=O)NCCC[NH2+][C@@H]2CCOC2(C)C)c1 ZINC000293796612 563823993 /nfs/dbraw/zinc/82/39/93/563823993.db2.gz QXUHEKKQUPOSMN-OAHLLOKOSA-N 1 0 385.302 2.735 20 0 GFADRO COCCC[N@H+](C)CCNC(=O)c1cc(Cl)cc(Br)c1F ZINC000444259771 563825728 /nfs/dbraw/zinc/82/57/28/563825728.db2.gz YQANXHJUAUCYKN-UHFFFAOYSA-N 1 0 381.673 2.940 20 0 GFADRO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)c1nc(C)n(-c2c(Cl)cccc2Cl)n1 ZINC000366948134 563826076 /nfs/dbraw/zinc/82/60/76/563826076.db2.gz VTKJDFXOMBNSRU-QWRGUYRKSA-N 1 0 386.258 2.655 20 0 GFADRO O=C(NCC[C@H]1CCC[NH2+]1)C1(c2ccc(Br)cc2)CCOCC1 ZINC000444273457 563826124 /nfs/dbraw/zinc/82/61/24/563826124.db2.gz PKDKEZBJXMVVMO-MRXNPFEDSA-N 1 0 381.314 2.756 20 0 GFADRO O=C(NCC[C@H]1CCC[NH2+]1)c1nn(-c2ccc(F)cc2)cc1Br ZINC000444273099 563826482 /nfs/dbraw/zinc/82/64/82/563826482.db2.gz ZBZNDGWVIJANGI-GFCCVEGCSA-N 1 0 381.249 2.646 20 0 GFADRO Cc1cccc(S(=O)(=O)N2C[C@H]([NH3+])Cc3ccccc32)c1Br ZINC000416424553 563827297 /nfs/dbraw/zinc/82/72/97/563827297.db2.gz DTYMJOPMPZXAKH-CYBMUJFWSA-N 1 0 381.295 2.836 20 0 GFADRO C[C@@H]1CN(C(=O)CSc2ccccc2Cl)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000367046765 563829119 /nfs/dbraw/zinc/82/91/19/563829119.db2.gz YVJFYRSEZJMYQE-NVXWUHKLSA-N 1 0 381.973 2.917 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2cccc(Cl)c2C(=O)OC)C[C@H]1C ZINC000416450956 563830101 /nfs/dbraw/zinc/83/01/01/563830101.db2.gz AOYSMRMZVWLUQG-OLZOCXBDSA-N 1 0 388.917 2.620 20 0 GFADRO COc1cc(OC)c(S(=O)(=O)N[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)cc1Cl ZINC000416470052 563833743 /nfs/dbraw/zinc/83/37/43/563833743.db2.gz FROLQSGTHPDJPE-OLZOCXBDSA-N 1 0 390.933 2.756 20 0 GFADRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1Cc1ccc(I)cc1 ZINC000444674286 563834700 /nfs/dbraw/zinc/83/47/00/563834700.db2.gz OSPRKIKRTCPMTF-ZDUSSCGKSA-N 1 0 388.293 2.568 20 0 GFADRO COC(=O)c1c(Cl)cccc1S(=O)(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC000416478132 563834990 /nfs/dbraw/zinc/83/49/90/563834990.db2.gz YRECSKFIIFHLHM-AWEZNQCLSA-N 1 0 388.917 2.525 20 0 GFADRO COc1cc(OC)c(S(=O)(=O)N2CC[C@@H]([NH+]3CCCC3)[C@H]2C)cc1Cl ZINC000416486048 563837313 /nfs/dbraw/zinc/83/73/13/563837313.db2.gz HJVKPPFRCZJNAF-TZMCWYRMSA-N 1 0 388.917 2.605 20 0 GFADRO C[C@H]1CN(C(=O)Nc2ccc(F)c(Br)c2)CC[N@@H+]1CC(C)(C)O ZINC000444853505 563838244 /nfs/dbraw/zinc/83/82/44/563838244.db2.gz DBWRBIOFKLGEBT-NSHDSACASA-N 1 0 388.281 2.897 20 0 GFADRO CS(=O)(=O)N1CC[C@@H](C[NH2+][C@H](c2cccc(Cl)c2)c2ccccn2)C1 ZINC000367275004 563839045 /nfs/dbraw/zinc/83/90/45/563839045.db2.gz QTHBCCGMSKVUFH-KBXCAEBGSA-N 1 0 379.913 2.696 20 0 GFADRO C[C@@H]1[C@@H](NC(=O)Nc2cc(Br)cnc2-n2cccn2)CCC[N@@H+]1C ZINC000444926390 563839841 /nfs/dbraw/zinc/83/98/41/563839841.db2.gz RIXQRMNMJVPAHY-YPMHNXCESA-N 1 0 393.289 2.634 20 0 GFADRO CC(=O)Nc1cc(F)c(S(=O)(=O)NCCCC[N@@H+](C)C2CC2)cc1Cl ZINC000416501258 563840175 /nfs/dbraw/zinc/84/01/75/563840175.db2.gz KREFRRGKJZDDCX-UHFFFAOYSA-N 1 0 391.896 2.590 20 0 GFADRO CC[NH+](CC)CCS(=O)(=O)N1CCC[C@@H]1c1ccc(Br)cn1 ZINC000416521846 563842022 /nfs/dbraw/zinc/84/20/22/563842022.db2.gz DFLVUKGEUBGWDA-OAHLLOKOSA-N 1 0 390.347 2.653 20 0 GFADRO COCc1ncsc1C(=O)N[C@H]1CC[N@H+](Cc2cnc(C)s2)C[C@H]1C ZINC000367359943 563842089 /nfs/dbraw/zinc/84/20/89/563842089.db2.gz ABRQDAIHRCIBFI-RISCZKNCSA-N 1 0 380.539 2.695 20 0 GFADRO O=C1CC[C@H]([NH2+]Cc2nc(-c3ccc(Br)cc3)c[nH]2)[C@@H](C2CC2)N1 ZINC000367423775 563844097 /nfs/dbraw/zinc/84/40/97/563844097.db2.gz NFPUYPIYYFNYJY-KBXCAEBGSA-N 1 0 389.297 2.986 20 0 GFADRO C[N@@H+]1CCC[C@H](CCNS(=O)(=O)c2cc(F)ccc2Br)C1 ZINC000416559577 563848739 /nfs/dbraw/zinc/84/87/39/563848739.db2.gz RBIVUNYLMMRHHY-LLVKDONJSA-N 1 0 379.295 2.598 20 0 GFADRO C[N@@H+]1CCC[C@H](CCNS(=O)(=O)c2ccc(OCC(F)(F)F)cc2)C1 ZINC000416562369 563848906 /nfs/dbraw/zinc/84/89/06/563848906.db2.gz ODXSWMTUWADTCO-CYBMUJFWSA-N 1 0 380.432 2.638 20 0 GFADRO C[N@@H+]1CC[C@H]2CCN(C(=O)Nc3ccccc3I)C[C@@H]21 ZINC000367583114 563849143 /nfs/dbraw/zinc/84/91/43/563849143.db2.gz REGHEVZHHZAMAA-FZMZJTMJSA-N 1 0 385.249 2.849 20 0 GFADRO C[N@@H+]1CCC[C@H](CCNS(=O)(=O)c2cc(Br)c(F)cc2F)C1 ZINC000416564143 563849122 /nfs/dbraw/zinc/84/91/22/563849122.db2.gz QQODAHYSAGCQHQ-SNVBAGLBSA-N 1 0 397.285 2.738 20 0 GFADRO C[NH+](C)CCN(Cc1ccsc1)S(=O)(=O)c1ccc2c(c1)CCCO2 ZINC000416562439 563849137 /nfs/dbraw/zinc/84/91/37/563849137.db2.gz WLSIMCQCNKOZIV-UHFFFAOYSA-N 1 0 380.535 2.826 20 0 GFADRO CSCc1cnc(CN(C)C[C@@H]2C[C@H](F)CN2Cc2ccnn2C)s1 ZINC000294654409 563849856 /nfs/dbraw/zinc/84/98/56/563849856.db2.gz LAPGJXSNRNACQC-ZFWWWQNUSA-N 1 0 383.562 2.784 20 0 GFADRO C[N@@H+]1CCC[C@H](CCNS(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)C1 ZINC000416569843 563849915 /nfs/dbraw/zinc/84/99/15/563849915.db2.gz YVHNXLWXVHWNFJ-LLVKDONJSA-N 1 0 382.860 2.952 20 0 GFADRO COc1ccc([C@@H]2CC[NH2+]C[C@H]2NC(=O)c2occc2Br)cc1 ZINC000367595181 563850158 /nfs/dbraw/zinc/85/01/58/563850158.db2.gz WJAMNAHXIFRONJ-DZGCQCFKSA-N 1 0 379.254 2.926 20 0 GFADRO Cn1ncc(Br)c1C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000294659263 563850156 /nfs/dbraw/zinc/85/01/56/563850156.db2.gz CNKVIIFCZNKXGF-HNNXBMFYSA-N 1 0 377.286 2.750 20 0 GFADRO CS[C@H]1CN(S(=O)(=O)c2c(F)cccc2Cl)C[C@H]1[NH+]1CCCC1 ZINC000445736402 563853079 /nfs/dbraw/zinc/85/30/79/563853079.db2.gz ROLQQQPSHUWUMU-KGLIPLIRSA-N 1 0 378.922 2.679 20 0 GFADRO CS[C@H]1CN(S(=O)(=O)c2ccc(OC(C)C)cc2)C[C@@H]1[NH+]1CCCC1 ZINC000445749483 563854221 /nfs/dbraw/zinc/85/42/21/563854221.db2.gz HUUNOMWXQJEMIC-ROUUACIJSA-N 1 0 384.567 2.674 20 0 GFADRO CN1CC[NH+](C[C@H]2CCCN(C[C@@H](O)c3ccc(Cl)cc3Cl)C2)CC1 ZINC000367767403 563854691 /nfs/dbraw/zinc/85/46/91/563854691.db2.gz LMARCDUPVZVADO-DNVCBOLYSA-N 1 0 386.367 2.986 20 0 GFADRO COC(=O)c1ccc(Cl)cc1S(=O)(=O)N(C)C(C)(C)C[NH+]1CCCC1 ZINC000416664425 563859183 /nfs/dbraw/zinc/85/91/83/563859183.db2.gz SPXCGIRGVDLXHB-UHFFFAOYSA-N 1 0 388.917 2.622 20 0 GFADRO C[C@@H](NC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1cccc(Cl)c1 ZINC000416836857 563861763 /nfs/dbraw/zinc/86/17/63/563861763.db2.gz WIEREGAJFDCDSA-RISCZKNCSA-N 1 0 378.826 2.536 20 0 GFADRO CN1C(=O)CC[C@H]([NH2+]Cc2cnc(C3OCCO3)s2)[C@H]1c1cccs1 ZINC000368030479 563862140 /nfs/dbraw/zinc/86/21/40/563862140.db2.gz NZOVLCBHHKAFPI-WFASDCNBSA-N 1 0 379.507 2.702 20 0 GFADRO Cc1c(C(=O)N[C@H]2CC23CC[NH2+]CC3)cnn1-c1ccc(Br)cc1 ZINC000368048125 563862443 /nfs/dbraw/zinc/86/24/43/563862443.db2.gz VXIMOAZGQOYCEX-INIZCTEOSA-N 1 0 389.297 2.815 20 0 GFADRO O=C(N[C@H]1CCSc2ccc(Cl)cc21)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000416902113 563863024 /nfs/dbraw/zinc/86/30/24/563863024.db2.gz BHTQYQVTACIHHA-HOCLYGCPSA-N 1 0 380.945 2.566 20 0 GFADRO Brc1ccc(C[NH2+][C@H]2CCc3nc[nH]c3C2)c(N2CCOCC2)c1 ZINC000368089186 563863281 /nfs/dbraw/zinc/86/32/81/563863281.db2.gz KCQXUYNHBVKSDG-HNNXBMFYSA-N 1 0 391.313 2.656 20 0 GFADRO Cc1nn(-c2ccc(C(=O)N3CC[C@H]4C[NH2+]C[C@H]43)cc2)c(C)c1Br ZINC000368188507 563866049 /nfs/dbraw/zinc/86/60/49/563866049.db2.gz YGYCRVCZTVNJIF-GOEBONIOSA-N 1 0 389.297 2.686 20 0 GFADRO CC(C)(CNC(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1)c1ccc(Br)cc1 ZINC000417124468 563868518 /nfs/dbraw/zinc/86/85/18/563868518.db2.gz MVUGIBVKECBLSN-KBPBESRZSA-N 1 0 380.330 2.978 20 0 GFADRO CC[NH2+]CC1CCN(C(=O)NCc2cc(OC)ccc2Br)CC1 ZINC000417140378 563869160 /nfs/dbraw/zinc/86/91/60/563869160.db2.gz PEOBCWLAACIMSJ-UHFFFAOYSA-N 1 0 384.318 2.989 20 0 GFADRO CCOC1CC(O)(C[NH2+][C@@H](C)CC(=O)Nc2cccc(Br)c2)C1 ZINC000446829569 563869380 /nfs/dbraw/zinc/86/93/80/563869380.db2.gz JJNFNCUTYPLFAP-VWDMACCTSA-N 1 0 385.302 2.686 20 0 GFADRO O=C(NCc1ccc(O)c(Br)c1)N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000368446459 563871269 /nfs/dbraw/zinc/87/12/69/563871269.db2.gz XEIISTVBMUVSGM-SQWLQELKSA-N 1 0 394.313 2.780 20 0 GFADRO Cc1cc(Br)cn2c(C[NH2+][C@H]3CCC(=O)N[C@H]3C3CC3)cnc12 ZINC000368500839 563872243 /nfs/dbraw/zinc/87/22/43/563872243.db2.gz YPHAMYDBBDTWFN-HOCLYGCPSA-N 1 0 377.286 2.552 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)NCC2(c3cccc(Br)c3)CCC2)CCCO1 ZINC000417211124 563873108 /nfs/dbraw/zinc/87/31/08/563873108.db2.gz FYRWVFRBTCRNHD-INIZCTEOSA-N 1 0 396.329 2.630 20 0 GFADRO Cn1nccc1N1CCC[C@H]([NH2+]Cc2cc(Br)cc3c2OCC3)C1 ZINC000447067341 563874425 /nfs/dbraw/zinc/87/44/25/563874425.db2.gz NIIHROVQEVHZAI-INIZCTEOSA-N 1 0 391.313 2.876 20 0 GFADRO [NH3+]CC[C@@H](NC(=O)N[C@@H]1CCOc2ccc(Br)cc21)C(F)F ZINC000417235909 563874713 /nfs/dbraw/zinc/87/47/13/563874713.db2.gz CQBWVDBOCSZCRW-GHMZBOCLSA-N 1 0 378.217 2.554 20 0 GFADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)c3csc(I)c3)C[C@H]21 ZINC000368588154 563874995 /nfs/dbraw/zinc/87/49/95/563874995.db2.gz FLVDUWXXNIUKMB-MWLCHTKSSA-N 1 0 376.263 2.519 20 0 GFADRO [NH3+]CC[C@H](NC(=O)NCC1(c2cccc(Cl)c2)CCOCC1)C(F)F ZINC000417238931 563875251 /nfs/dbraw/zinc/87/52/51/563875251.db2.gz MXGKOPVKJBRCKL-AWEZNQCLSA-N 1 0 375.847 2.670 20 0 GFADRO O=C(NCC1(c2c(Cl)cccc2Cl)CCC1)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000447185069 563876253 /nfs/dbraw/zinc/87/62/53/563876253.db2.gz QAUARJLACVZWAI-INIZCTEOSA-N 1 0 382.335 2.921 20 0 GFADRO CCn1nccc1S(=O)(=O)NC[C@H]1CC[N@H+](C)[C@H]1c1cccc(Cl)c1 ZINC000368697936 563877302 /nfs/dbraw/zinc/87/73/02/563877302.db2.gz FGXQCOPBSXSVQT-PBHICJAKSA-N 1 0 382.917 2.528 20 0 GFADRO Cc1cc(Br)c(S(=O)(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)s1 ZINC000447253528 563878382 /nfs/dbraw/zinc/87/83/82/563878382.db2.gz ZDOPZOGPHMZLPP-HOSYDEDBSA-N 1 0 379.345 2.567 20 0 GFADRO C[C@H]1C[C@H](C[NH3+])CN1S(=O)(=O)c1c(Cl)cc(F)cc1Br ZINC000447256095 563878489 /nfs/dbraw/zinc/87/84/89/563878489.db2.gz JPYJXGWMKSCHKF-JGVFFNPUSA-N 1 0 385.686 2.599 20 0 GFADRO COC[C@@H](C)OC[C@@H](O)C[N@H+](C)CC1(c2ccc(Br)cc2)CC1 ZINC000447308930 563879593 /nfs/dbraw/zinc/87/95/93/563879593.db2.gz JARBCLPTMPUDDA-PBHICJAKSA-N 1 0 386.330 2.825 20 0 GFADRO CO[C@@H]1CCN(C(=O)N[C@@H]2CCc3c2cccc3Br)[C@@H](C[NH3+])C1 ZINC000417455734 563880652 /nfs/dbraw/zinc/88/06/52/563880652.db2.gz YPAQLHKQYIMURI-XHBSWPGZSA-N 1 0 382.302 2.584 20 0 GFADRO C[NH+](C)Cc1ccsc1C(=O)N[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000447429278 563881793 /nfs/dbraw/zinc/88/17/93/563881793.db2.gz WKKIAGFCSLPXNO-AWEZNQCLSA-N 1 0 377.897 2.998 20 0 GFADRO CCn1cc(Br)cc1C(=O)N(C)C1CC[NH+](C2CCOCC2)CC1 ZINC000368901075 563881788 /nfs/dbraw/zinc/88/17/88/563881788.db2.gz RQGLCMHYIOIAEU-UHFFFAOYSA-N 1 0 398.345 2.986 20 0 GFADRO Cc1ncsc1CN(C[C@@H]1CC[NH2+]C1)C(=O)c1cncc(Br)c1 ZINC000447433448 563881870 /nfs/dbraw/zinc/88/18/70/563881870.db2.gz AYSDZMFFXCLLBH-GFCCVEGCSA-N 1 0 395.326 2.861 20 0 GFADRO CCCC(=O)N1CSC[C@H]1C(=O)NC1CC[NH+](Cc2cccs2)CC1 ZINC000368926589 563882211 /nfs/dbraw/zinc/88/22/11/563882211.db2.gz ILPYNNRXNYHWRA-INIZCTEOSA-N 1 0 381.567 2.530 20 0 GFADRO CCc1nc(CN2CCC[C@H]([NH2+]Cc3cnc(C(F)(F)F)s3)C2)no1 ZINC000368964701 563882827 /nfs/dbraw/zinc/88/28/27/563882827.db2.gz PZTBZOLKRCTYKJ-JTQLQIEISA-N 1 0 375.420 2.862 20 0 GFADRO C[C@@H](Cc1ccc(Br)cc1)C(=O)N1CCC[N@@H+]([C@@H](C)CO)CC1 ZINC000368976205 563883590 /nfs/dbraw/zinc/88/35/90/563883590.db2.gz USZLGZXMLDATCG-GJZGRUSLSA-N 1 0 383.330 2.543 20 0 GFADRO O=C(c1ccn(-c2cccc(Br)c2)n1)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000369062148 563885327 /nfs/dbraw/zinc/88/53/27/563885327.db2.gz GVTZEZOUOCTOOW-MRXNPFEDSA-N 1 0 389.297 2.945 20 0 GFADRO O=C(CC[N@@H+]1CC[C@@H](NC(=O)C2CCC2)C1)Nc1ccc(Br)cc1 ZINC000369069084 563885975 /nfs/dbraw/zinc/88/59/75/563885975.db2.gz YOVQOMKCIQYMJP-MRXNPFEDSA-N 1 0 394.313 2.768 20 0 GFADRO O=C1[C@H]([NH2+]C2(c3ccc(Br)cc3)CC2)CCN1C1CCOCC1 ZINC000369129469 563887493 /nfs/dbraw/zinc/88/74/93/563887493.db2.gz FEUWATJORSXBBV-MRXNPFEDSA-N 1 0 379.298 2.808 20 0 GFADRO C[NH2+][C@@H]1CCCN(C(=O)NCCOc2ncc(C(F)(F)F)cc2Cl)C1 ZINC000417739889 563888135 /nfs/dbraw/zinc/88/81/35/563888135.db2.gz QUJVZFGERULHOA-LLVKDONJSA-N 1 0 380.798 2.526 20 0 GFADRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCC(n2cc(Br)cn2)CC1 ZINC000369220192 563890075 /nfs/dbraw/zinc/89/00/75/563890075.db2.gz IDWDEBHJNUPHTD-MRXNPFEDSA-N 1 0 398.349 2.867 20 0 GFADRO COC[C@@]1(CNC(=O)NCCc2nc3cc(Cl)ccc3s2)CCC[NH2+]1 ZINC000417862130 563890330 /nfs/dbraw/zinc/89/03/30/563890330.db2.gz BTGRALIFTJAEEK-KRWDZBQOSA-N 1 0 382.917 2.560 20 0 GFADRO C[N@@H+]1CCCC(C)(C)[C@H]1CNS(=O)(=O)c1ccc(F)cc1Br ZINC000447933354 563891128 /nfs/dbraw/zinc/89/11/28/563891128.db2.gz TWOMMOGYVFSDIU-CQSZACIVSA-N 1 0 393.322 2.987 20 0 GFADRO O=C(NCCc1cc(Cl)ccc1Br)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000417920081 563891435 /nfs/dbraw/zinc/89/14/35/563891435.db2.gz ZQVOFVGYHAJBLZ-STQMWFEESA-N 1 0 386.721 2.896 20 0 GFADRO O=C1CCCCN1CCC[NH2+]Cc1ccc(F)cc1I ZINC000417915668 563891734 /nfs/dbraw/zinc/89/17/34/563891734.db2.gz URPBIDHQJOTQIO-UHFFFAOYSA-N 1 0 390.240 2.923 20 0 GFADRO [NH3+]C[C@H]1CCN(C(=O)NCc2ccc(Br)cc2C(F)(F)F)C1 ZINC000417948352 563892254 /nfs/dbraw/zinc/89/22/54/563892254.db2.gz HPUYWPCEBIFHBM-SECBINFHSA-N 1 0 380.208 2.958 20 0 GFADRO O=C(Cc1ccc(Br)s1)NC[C@H]1CCC[C@@H]1[NH+]1CCOCC1 ZINC000369335228 563892504 /nfs/dbraw/zinc/89/25/04/563892504.db2.gz ODWUIEXCJJAPGF-OCCSQVGLSA-N 1 0 387.343 2.670 20 0 GFADRO CC[NH2+][C@H](C)CNC(=O)NCCCOc1ncc(C(F)(F)F)cc1Cl ZINC000417961604 563892969 /nfs/dbraw/zinc/89/29/69/563892969.db2.gz NTPYXDOVZAUSDH-SNVBAGLBSA-N 1 0 382.814 2.820 20 0 GFADRO O=C(NC1CCN(Cc2cc(Cl)cc(Cl)c2)CC1)N1CCC[NH2+]CC1 ZINC000417985020 563893410 /nfs/dbraw/zinc/89/34/10/563893410.db2.gz DVCYDYZHLJKJIJ-UHFFFAOYSA-N 1 0 385.339 2.963 20 0 GFADRO CCO[C@@H]1COCC[C@H]1[NH2+]Cc1ccc(F)cc1I ZINC000417992676 563894090 /nfs/dbraw/zinc/89/40/90/563894090.db2.gz OYHQVNZTDUTCBY-ZIAGYGMSSA-N 1 0 379.213 2.714 20 0 GFADRO COc1cc(Br)ccc1CCCNC(=O)NCCC[NH2+]C1CC1 ZINC000417996812 563894250 /nfs/dbraw/zinc/89/42/50/563894250.db2.gz FFWPWYQVUOZCTH-UHFFFAOYSA-N 1 0 384.318 2.832 20 0 GFADRO CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)NC[C@H]1CCC[NH2+]C1 ZINC000417998190 563894418 /nfs/dbraw/zinc/89/44/18/563894418.db2.gz USLYQGFOWNIEID-XEZPLFJOSA-N 1 0 384.318 2.824 20 0 GFADRO CC1(NC(=O)N[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)CC[NH2+]CC1 ZINC000418003825 563894752 /nfs/dbraw/zinc/89/47/52/563894752.db2.gz NCLBQKYJFXHADG-CQSZACIVSA-N 1 0 385.295 2.540 20 0 GFADRO Cc1cccc(NC(=O)C(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)c1Br ZINC000448317838 563896158 /nfs/dbraw/zinc/89/61/58/563896158.db2.gz BPQQEDZIXFMDQV-AWEZNQCLSA-N 1 0 396.329 2.933 20 0 GFADRO CC[C@H]([NH3+])CNC(=O)NCc1cc(Br)ccc1Br ZINC000418036714 563896457 /nfs/dbraw/zinc/89/64/57/563896457.db2.gz GDLZTEFGULQIDN-JTQLQIEISA-N 1 0 379.096 2.748 20 0 GFADRO CCn1c(CNC(=O)N2CC[C@H]([C@@H](C)[NH3+])C2)nc2cc(Br)ccc21 ZINC000418063818 563897236 /nfs/dbraw/zinc/89/72/36/563897236.db2.gz INUWPNQZZBKCSF-NEPJUHHUSA-N 1 0 394.317 2.697 20 0 GFADRO CCn1c(CNC(=O)N[C@@H]2CC[C@H](C[NH3+])C2)nc2cc(Br)ccc21 ZINC000418064636 563897355 /nfs/dbraw/zinc/89/73/55/563897355.db2.gz KBOBQHUCRDXHCV-WCQYABFASA-N 1 0 394.317 2.745 20 0 GFADRO CC[NH2+][C@H](C)CNC(=O)NCc1nc2cc(Br)ccc2n1CC ZINC000418068465 563897364 /nfs/dbraw/zinc/89/73/64/563897364.db2.gz QLMHPCVGFBWSAB-LLVKDONJSA-N 1 0 382.306 2.616 20 0 GFADRO CCn1c(CNC(=O)NC[C@H]([NH3+])C(C)C)nc2cc(Br)ccc21 ZINC000418061237 563897459 /nfs/dbraw/zinc/89/74/59/563897459.db2.gz DSKIHAHJIJLFSA-LBPRGKRZSA-N 1 0 382.306 2.601 20 0 GFADRO CC(C)[N@H+](C)CCCNC(=O)C(=O)Nc1ccc(Br)c(Cl)c1 ZINC000448480670 563897712 /nfs/dbraw/zinc/89/77/12/563897712.db2.gz CFMBECISDKJWSR-UHFFFAOYSA-N 1 0 390.709 2.888 20 0 GFADRO [NH3+][C@@H](CNC(=O)N[C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O)C1CC1 ZINC000418078394 563897782 /nfs/dbraw/zinc/89/77/82/563897782.db2.gz JFXPUSCUCILXPO-UONOGXRCSA-N 1 0 385.295 2.525 20 0 GFADRO [NH3+]C[C@H]1CC[C@H](NC(=O)NCc2cnn(-c3ccc(Br)cc3)c2)C1 ZINC000418087190 563898107 /nfs/dbraw/zinc/89/81/07/563898107.db2.gz GDTHASNAUDBEKK-WFASDCNBSA-N 1 0 392.301 2.561 20 0 GFADRO C[C@@H](CCCC[NH3+])NC(=O)N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000418081716 563898155 /nfs/dbraw/zinc/89/81/55/563898155.db2.gz ORAJHRCSARDGFH-FZMZJTMJSA-N 1 0 387.311 2.915 20 0 GFADRO [NH3+]C1CCC(NC(=O)N[C@H]2CCN(c3cccc(Br)c3)C2)CC1 ZINC000418090812 563898697 /nfs/dbraw/zinc/89/86/97/563898697.db2.gz CZJKUVIMUHHXTM-NRXISQOPSA-N 1 0 381.318 2.597 20 0 GFADRO [NH3+]C[C@@H](NC(=O)NCCCCn1cc(Br)cn1)C1CCCCC1 ZINC000418098768 563899013 /nfs/dbraw/zinc/89/90/13/563899013.db2.gz BBZVSNWUTPWFSG-OAHLLOKOSA-N 1 0 386.338 2.633 20 0 GFADRO [NH3+]CC[C@H]1CCCN(C(=O)N[C@@H]2CCN(c3cccc(Br)c3)C2)C1 ZINC000418106939 563899114 /nfs/dbraw/zinc/89/91/14/563899114.db2.gz YNJSYCKPHHFVHV-GDBMZVCRSA-N 1 0 395.345 2.798 20 0 GFADRO CN(C(=O)NCc1ccc(I)cc1Cl)C1CC([NH3+])C1 ZINC000418124912 563899543 /nfs/dbraw/zinc/89/95/43/563899543.db2.gz MYDKKEUNEUDVLS-UHFFFAOYSA-N 1 0 393.656 2.576 20 0 GFADRO C[NH2+]C[C@@H]1CCCN(C(=O)N[C@@H]2CCOc3c(Br)cccc32)C1 ZINC000418166244 563900306 /nfs/dbraw/zinc/90/03/06/563900306.db2.gz UIMCKUBGZQLOHV-SWLSCSKDSA-N 1 0 382.302 2.914 20 0 GFADRO C[C@H]1C[C@@H](NC(=O)NCCc2c[nH]c3cccc(Br)c23)CC[NH2+]1 ZINC000418192981 563900769 /nfs/dbraw/zinc/90/07/69/563900769.db2.gz BFDGQDACIRMSPG-AAEUAGOBSA-N 1 0 379.302 2.913 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)NCc2cc(F)c(F)cc2Br)C1 ZINC000418189175 563900770 /nfs/dbraw/zinc/90/07/70/563900770.db2.gz XHBJPMFQBZDOOS-UWVGGRQHSA-N 1 0 376.245 2.996 20 0 GFADRO COCC[C@H](NC(=O)N1CCCO[C@H](C[NH3+])C1)c1ccc(Cl)c(Cl)c1 ZINC000418175719 563900782 /nfs/dbraw/zinc/90/07/82/563900782.db2.gz VSTHIGJBFFVRHH-CJNGLKHVSA-N 1 0 390.311 2.830 20 0 GFADRO Cc1nn(C)cc1CC(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000448815273 563901457 /nfs/dbraw/zinc/90/14/57/563901457.db2.gz BSHGDQMWKLLIRK-UHFFFAOYSA-N 1 0 393.329 2.624 20 0 GFADRO COCC[NH+]1CCC(NC(=O)c2cc3c(Br)cccc3cn2)CC1 ZINC000448797533 563901564 /nfs/dbraw/zinc/90/15/64/563901564.db2.gz JCFFFZPYFNNJBY-UHFFFAOYSA-N 1 0 392.297 2.838 20 0 GFADRO O=C([C@@H]1CCC[N@@H+](Cc2cccc(F)c2Br)C1)N1CCOCC1 ZINC000449011329 563905304 /nfs/dbraw/zinc/90/53/04/563905304.db2.gz ZCXJXSJLJLLXAM-CQSZACIVSA-N 1 0 385.277 2.659 20 0 GFADRO CCS(=O)(=O)N(C)CCC[NH2+][C@@H]1CCc2c1ccc(F)c2Br ZINC000449077521 563906480 /nfs/dbraw/zinc/90/64/80/563906480.db2.gz JWQUUSKTWUXULA-CQSZACIVSA-N 1 0 393.322 2.837 20 0 GFADRO CS(=O)(=O)c1cccc(C[NH2+][C@@H]2CCN(c3ccc(Cl)cc3)C2=O)c1 ZINC000449156671 563907389 /nfs/dbraw/zinc/90/73/89/563907389.db2.gz OENMKSHBLGRHSV-QGZVFWFLSA-N 1 0 378.881 2.639 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+][C@H]1C[C@@H](OC)C1(C)C ZINC000449173220 563907643 /nfs/dbraw/zinc/90/76/43/563907643.db2.gz NMERRXIOXWIJPD-KNXALSJPSA-N 1 0 399.329 2.866 20 0 GFADRO C[C@H](Cc1coc2ccccc12)[NH2+]C[C@@H](O)CS(=O)(=O)c1cccs1 ZINC000449189195 563907786 /nfs/dbraw/zinc/90/77/86/563907786.db2.gz LXGLZKSIJDAMFO-UKRRQHHQSA-N 1 0 379.503 2.850 20 0 GFADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+]Cc1cncc(C)c1 ZINC000449208933 563908124 /nfs/dbraw/zinc/90/81/24/563908124.db2.gz QFSSTQMGFIMSEF-CYBMUJFWSA-N 1 0 392.297 2.956 20 0 GFADRO COC(=O)Cn1cc(C[NH2+]CC2(c3ccc(Cl)cc3Cl)CCC2)nn1 ZINC000449212042 563908161 /nfs/dbraw/zinc/90/81/61/563908161.db2.gz IDWJUTGFHLMFPW-UHFFFAOYSA-N 1 0 383.279 2.969 20 0 GFADRO CS(=O)(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(Br)c1F ZINC000449248705 564177907 /nfs/dbraw/zinc/17/79/07/564177907.db2.gz JVLXJAMYDRXDPI-CHWSQXEVSA-N 1 0 379.295 2.538 20 0 GFADRO CCC[N@H+](C)C[C@H]1CCN(c2ccc(S(N)(=O)=O)c(C(F)(F)F)c2)C1 ZINC000470872377 564179311 /nfs/dbraw/zinc/17/93/11/564179311.db2.gz JQHHKLSUJZBUPM-GFCCVEGCSA-N 1 0 379.448 2.521 20 0 GFADRO Cc1[nH]c(=O)c(Br)cc1C(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000505259065 564179309 /nfs/dbraw/zinc/17/93/09/564179309.db2.gz BVCDNIINJIEHMV-UHFFFAOYSA-N 1 0 390.281 2.646 20 0 GFADRO C[C@@H]1C[N@H+](C[C@@H](O)COc2cc(F)cc(Br)c2)C[C@H](C2CC2)O1 ZINC000470905368 564179827 /nfs/dbraw/zinc/17/98/27/564179827.db2.gz GIWWRPBGIRODIP-RGYTYGDFSA-N 1 0 388.277 2.827 20 0 GFADRO CCN(CC)c1ncc(C[NH2+]CCn2cc(Br)ccc2=O)s1 ZINC000449373464 564182068 /nfs/dbraw/zinc/18/20/68/564182068.db2.gz BZGJPDFJQLYZDV-UHFFFAOYSA-N 1 0 385.331 2.703 20 0 GFADRO COc1ccc(C[NH2+]CCCNS(=O)(=O)c2ccccc2Cl)c(F)c1 ZINC000563257126 564182453 /nfs/dbraw/zinc/18/24/53/564182453.db2.gz YYAKWVPEAJEHDW-UHFFFAOYSA-N 1 0 386.876 2.946 20 0 GFADRO CSC[C@@H]([NH2+][C@H]1CCN(S(C)(=O)=O)C1)c1ccc(C(F)(F)F)cc1 ZINC000563263310 564183655 /nfs/dbraw/zinc/18/36/55/564183655.db2.gz CQKOEOBUCCXTPJ-UONOGXRCSA-N 1 0 382.473 2.733 20 0 GFADRO OCCC[N@@H+]1CCC[C@@H](NCc2cn(-c3ccc(Cl)c(Cl)c3)nn2)C1 ZINC000449396765 564184274 /nfs/dbraw/zinc/18/42/74/564184274.db2.gz MWYLOFLCOCXLBL-CYBMUJFWSA-N 1 0 384.311 2.511 20 0 GFADRO CC[C@H](CNS(C)(=O)=O)[NH2+]Cc1ccc(-c2nc3ccccc3s2)o1 ZINC000449441381 564186965 /nfs/dbraw/zinc/18/69/65/564186965.db2.gz GOGRHQUBAIKJKL-GFCCVEGCSA-N 1 0 379.507 2.974 20 0 GFADRO O=C([C@@H]1CC(=O)Nc2ccc(Br)cc21)N1CC[NH+](C2CCC2)CC1 ZINC000563345168 564187609 /nfs/dbraw/zinc/18/76/09/564187609.db2.gz CZELGMJGGGDDNP-OAHLLOKOSA-N 1 0 392.297 2.572 20 0 GFADRO COC(=O)c1cc(Br)cc(C(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)c1 ZINC000505660654 564187714 /nfs/dbraw/zinc/18/77/14/564187714.db2.gz SEFBELNKHFAXSW-GOSISDBHSA-N 1 0 395.297 2.794 20 0 GFADRO CS[C@@H]1CN(CC(=O)N2CC[C@@H](C)Sc3ccccc32)C[C@H]1[NH+](C)C ZINC000538376434 564189348 /nfs/dbraw/zinc/18/93/48/564189348.db2.gz GLFDFMCTQCWZTN-QGPMSJSTSA-N 1 0 379.595 2.881 20 0 GFADRO C[C@H]([NH2+]CCNS(=O)(=O)Cc1ccon1)c1cc2cc(Cl)ccc2o1 ZINC000538393160 564190263 /nfs/dbraw/zinc/19/02/63/564190263.db2.gz HLHJHUFXIVTEPR-NSHDSACASA-N 1 0 383.857 2.844 20 0 GFADRO COc1ccc(Br)c([C@H](CO)N(C)C(=O)C[N@@H+]2CCC(C)(C)C2)c1 ZINC000563409053 564190407 /nfs/dbraw/zinc/19/04/07/564190407.db2.gz UFIYNCUPVDGKTO-INIZCTEOSA-N 1 0 399.329 2.681 20 0 GFADRO COc1ccc(C[C@H](CO)C[NH2+][C@@H]2C[C@H](C)N(C3CC3)C2)cc1Br ZINC000449598935 564191276 /nfs/dbraw/zinc/19/12/76/564191276.db2.gz JMXLZKCOBMUXIX-CWRNSKLLSA-N 1 0 397.357 2.824 20 0 GFADRO Cc1ccc(S(=O)(=O)NCC[NH2+][C@H](C)c2cncc(Br)c2)cc1 ZINC000563443245 564191805 /nfs/dbraw/zinc/19/18/05/564191805.db2.gz QXMWJJLDYFGLFU-CYBMUJFWSA-N 1 0 398.326 2.782 20 0 GFADRO CSc1cc(C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)c(Cl)cc1Cl ZINC000471280660 564191758 /nfs/dbraw/zinc/19/17/58/564191758.db2.gz XAHFRIXWDPTSON-ZDUSSCGKSA-N 1 0 390.336 2.785 20 0 GFADRO Cc1ccc(C[C@H](CO)C[NH2+]Cc2c[nH]c3nccnc23)cc1Br ZINC000449601017 564192349 /nfs/dbraw/zinc/19/23/49/564192349.db2.gz QIRXVNZPIOXXEH-AWEZNQCLSA-N 1 0 389.297 2.921 20 0 GFADRO CNC(=O)C[C@H](C)[NH2+]Cc1c(C)nn(-c2ccc(Br)cc2)c1C ZINC000449603437 564192441 /nfs/dbraw/zinc/19/24/41/564192441.db2.gz QTONTZZLSXEGCP-NSHDSACASA-N 1 0 379.302 2.866 20 0 GFADRO Cc1nn(C)c2ncc(CNc3cc(N(C)C)c(Br)c[nH+]3)cc12 ZINC000449644827 564192861 /nfs/dbraw/zinc/19/28/61/564192861.db2.gz KQRSVKBSZQSNNO-UHFFFAOYSA-N 1 0 375.274 3.112 20 0 GFADRO COc1cc(NC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc(OC)c1Br ZINC000563480513 564193534 /nfs/dbraw/zinc/19/35/34/564193534.db2.gz DRQQYVCYFVGBBC-GHMZBOCLSA-N 1 0 384.274 2.540 20 0 GFADRO CO[C@@](C)(C[NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1)C1CC1 ZINC000563530853 564195194 /nfs/dbraw/zinc/19/51/94/564195194.db2.gz OYJOBBQHVIYFER-ZBFHGGJFSA-N 1 0 376.266 2.733 20 0 GFADRO CC[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)NC[C@](C)(O)C[NH+](C)C ZINC000506111374 564196152 /nfs/dbraw/zinc/19/61/52/564196152.db2.gz DAOABEMAHCPKML-YOEHRIQHSA-N 1 0 376.328 2.926 20 0 GFADRO Cc1ccc(O)c(C[NH2+]C[C@H](CO)Cc2ccc(F)c(Br)c2)n1 ZINC000449686293 564196709 /nfs/dbraw/zinc/19/67/09/564196709.db2.gz YBVLROQPJXVCMX-CYBMUJFWSA-N 1 0 383.261 2.938 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]CCC[C@@H]1CCOC1 ZINC000449690362 564196876 /nfs/dbraw/zinc/19/68/76/564196876.db2.gz OXONMZDUPLBWPD-UONOGXRCSA-N 1 0 399.329 2.869 20 0 GFADRO COc1cc(Cl)c(CN2CC[NH+]([C@H]3CCNC(=O)CC3)CC2)cc1Cl ZINC000449694817 564196953 /nfs/dbraw/zinc/19/69/53/564196953.db2.gz HCBQYMCLYHUSQT-CQSZACIVSA-N 1 0 386.323 2.788 20 0 GFADRO CC1(C)C[NH2+]CC[C@@H]1NC(=O)c1cnn(-c2ccc(Br)cc2)c1 ZINC000449697647 564197116 /nfs/dbraw/zinc/19/71/16/564197116.db2.gz LIAGEVCMSFJLIG-HNNXBMFYSA-N 1 0 377.286 2.753 20 0 GFADRO CN(C)S(=O)(=O)N1CCCC[C@H]1C[NH2+][C@@H]1CCCc2c(Cl)cccc21 ZINC000563567139 564197303 /nfs/dbraw/zinc/19/73/03/564197303.db2.gz ZCBKMRCQIKOUNE-KBXCAEBGSA-N 1 0 385.961 2.968 20 0 GFADRO Cc1c(I)cccc1C(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000449714073 564198020 /nfs/dbraw/zinc/19/80/20/564198020.db2.gz BJTXJTQRDNOJPW-SNVBAGLBSA-N 1 0 386.155 2.609 20 0 GFADRO [NH3+]CC[C@H](NC(=O)[C@H]1CCN(c2cc(Cl)ccc2Cl)C1=O)C(F)(F)F ZINC000449721756 564198904 /nfs/dbraw/zinc/19/89/04/564198904.db2.gz OZJBEMAJBWTZKA-SKDRFNHKSA-N 1 0 398.212 2.742 20 0 GFADRO CC[C@@H]1C[C@@H](CNc2cc(N3CCOCC3)c(Br)c[nH+]2)CCO1 ZINC000449764790 564200707 /nfs/dbraw/zinc/20/07/07/564200707.db2.gz DNCFQADLMYSXEZ-UONOGXRCSA-N 1 0 384.318 3.298 20 0 GFADRO C[NH+](C)CCOCCNC(=O)NC1(c2ccc(Br)cc2)CCC1 ZINC000471635823 564200799 /nfs/dbraw/zinc/20/07/99/564200799.db2.gz KXOIIPVQCZGDBA-UHFFFAOYSA-N 1 0 384.318 2.706 20 0 GFADRO C[NH+](C)CCOCCNC(=O)N1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000471641378 564201525 /nfs/dbraw/zinc/20/15/25/564201525.db2.gz FSJPOQUWCAASHM-CQSZACIVSA-N 1 0 390.311 2.734 20 0 GFADRO Cn1ncc(Br)c1C(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000449799260 564203376 /nfs/dbraw/zinc/20/33/76/564203376.db2.gz ZONBXDQWIYBGBC-UHFFFAOYSA-N 1 0 383.334 2.911 20 0 GFADRO C[C@H](CNC(=O)C(=O)NCc1cccc(Cl)c1Cl)[N@@H+]1CCC[C@@H](C)C1 ZINC000563800079 564207764 /nfs/dbraw/zinc/20/77/64/564207764.db2.gz HVURSZLEEPUICD-CHWSQXEVSA-N 1 0 386.323 2.846 20 0 GFADRO C[C@H]1c2cc(Cl)c(Cl)cc2CCN1C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000538977401 564207786 /nfs/dbraw/zinc/20/77/86/564207786.db2.gz RLYZWOHCHVPXRL-GXTWGEPZSA-N 1 0 385.339 2.868 20 0 GFADRO C[C@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH2+][C@@H]1CC(=O)N(C)C1 ZINC000539069631 564208731 /nfs/dbraw/zinc/20/87/31/564208731.db2.gz PRMMLIWSUYUUCM-MWLCHTKSSA-N 1 0 377.794 2.896 20 0 GFADRO CC(C)N1C[C@H]([NH2+][C@H](C)CC(=O)Nc2cccc(Br)c2)CC1=O ZINC000539083028 564208988 /nfs/dbraw/zinc/20/89/88/564208988.db2.gz LIMYAICORXEJTQ-IUODEOHRSA-N 1 0 382.302 2.765 20 0 GFADRO Cc1ccsc1[C@@H](CO)[NH2+][C@H](C)c1cccc(N2CCCS2(=O)=O)c1 ZINC000539120111 564210490 /nfs/dbraw/zinc/21/04/90/564210490.db2.gz LSFPEZVVWHBELH-RHSMWYFYSA-N 1 0 380.535 2.981 20 0 GFADRO O=C(NCCc1c[nH]c2cccc(Br)c12)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000563875300 564211111 /nfs/dbraw/zinc/21/11/11/564211111.db2.gz JDUULBWFIGWROS-ZIAGYGMSSA-N 1 0 391.313 2.724 20 0 GFADRO O=C(NCC[C@@H]1CCC[NH2+]C1)N1CCOc2ccc(Br)cc2C1 ZINC000563946207 564213613 /nfs/dbraw/zinc/21/36/13/564213613.db2.gz LZBLALAPQZUFTD-ZDUSSCGKSA-N 1 0 382.302 2.743 20 0 GFADRO CCS(=O)(=O)c1ccc(CNC(=O)N[C@@H](C)C[NH+]2CCCCCC2)s1 ZINC000472187689 564215439 /nfs/dbraw/zinc/21/54/39/564215439.db2.gz KBRPDEDKGBKCAD-AWEZNQCLSA-N 1 0 387.571 2.605 20 0 GFADRO CCC[N@H+](CC)CCNC(=O)c1c(F)cccc1I ZINC000472180508 564215712 /nfs/dbraw/zinc/21/57/12/564215712.db2.gz WSAUTIYCZCBWGP-UHFFFAOYSA-N 1 0 378.229 2.892 20 0 GFADRO O=C(NC[C@@H]1CCCC[N@H+]1CCO)N[C@H]1CCc2c1cccc2Br ZINC000564053702 564217337 /nfs/dbraw/zinc/21/73/37/564217337.db2.gz IKRURFGHMGCCSR-GUYCJALGSA-N 1 0 396.329 2.582 20 0 GFADRO CS[C@@H]1CN(C(=O)c2csc(Cc3cccc(F)c3)n2)C[C@H]1[NH+](C)C ZINC000507084750 564217761 /nfs/dbraw/zinc/21/77/61/564217761.db2.gz KSHPYTHMNGSQBT-HZPDHXFCSA-N 1 0 379.526 2.991 20 0 GFADRO COc1ccc(C(=O)CCC(=O)N2C[C@@H](SC)[C@@H]([NH+](C)C)C2)c(Cl)c1 ZINC000507082147 564218113 /nfs/dbraw/zinc/21/81/13/564218113.db2.gz CXBLIEGALYAPOA-DOTOQJQBSA-N 1 0 384.929 2.816 20 0 GFADRO C[N@H+](CC1CC1)C[C@@H]1CCN(C[C@H](O)COc2ccc(Br)cc2)C1 ZINC000472451088 564223823 /nfs/dbraw/zinc/22/38/23/564223823.db2.gz VOKRORJGMMNLFU-WMZOPIPTSA-N 1 0 397.357 2.853 20 0 GFADRO Cc1ccc(Br)cc1CC(=O)NCCCC[N@@H+]1CCC[C@H]1CO ZINC000450246243 564223995 /nfs/dbraw/zinc/22/39/95/564223995.db2.gz UHXCPKCFMYSTSG-KRWDZBQOSA-N 1 0 383.330 2.653 20 0 GFADRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1Nc1cc(Br)cnc1C(N)=O ZINC000472491055 564224700 /nfs/dbraw/zinc/22/47/00/564224700.db2.gz AFAQZFOOQYXZJA-BLLLJJGKSA-N 1 0 389.297 2.875 20 0 GFADRO O=C(NC1(c2cccc(Br)c2)CCOCC1)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000564212944 564224929 /nfs/dbraw/zinc/22/49/29/564224929.db2.gz ZDCTWBPCMNWVOE-NVXWUHKLSA-N 1 0 379.298 2.571 20 0 GFADRO COc1ccc(OC(F)(F)F)c(C(=O)N2C[C@@H]([NH+](C)C)[C@@H](SC)C2)c1 ZINC000450266142 564225069 /nfs/dbraw/zinc/22/50/69/564225069.db2.gz OAVYANNTABHERD-OCCSQVGLSA-N 1 0 378.416 2.711 20 0 GFADRO COCCOC[C@@H](O)C[N@H+](Cc1cc(Br)ccc1F)C(C)C ZINC000450304351 564225637 /nfs/dbraw/zinc/22/56/37/564225637.db2.gz QNDAOWCCBKBAAM-HNNXBMFYSA-N 1 0 378.282 2.823 20 0 GFADRO COc1cc(C)nc(C[NH2+]CCNC(=O)c2ccc(Br)cc2)c1 ZINC000539711878 564225950 /nfs/dbraw/zinc/22/59/50/564225950.db2.gz GBQNWXJUOYPTQU-UHFFFAOYSA-N 1 0 378.270 2.681 20 0 GFADRO COC(=O)c1ccc(S(=O)(=O)NC[C@H](C)[N@@H+]2CCCC[C@H]2C)c(Cl)c1 ZINC000507393013 564228087 /nfs/dbraw/zinc/22/80/87/564228087.db2.gz VHRZOYGWBIXXKF-OLZOCXBDSA-N 1 0 388.917 2.668 20 0 GFADRO Cc1n[nH]c(CC[NH2+][C@@H]2CCCOc3ccc(I)cc32)n1 ZINC000507395890 564228191 /nfs/dbraw/zinc/22/81/91/564228191.db2.gz APKKCSIBSVHLTH-CYBMUJFWSA-N 1 0 398.248 2.764 20 0 GFADRO COc1cc(Br)c(C[NH2+]CC2(O)Cc3ccccc3C2)cc1O ZINC000539814288 564228572 /nfs/dbraw/zinc/22/85/72/564228572.db2.gz WYSVYFURVKSXPC-UHFFFAOYSA-N 1 0 378.266 2.783 20 0 GFADRO Cc1c([C@H]2OCC[C@@H]2[NH2+]Cc2cn3ccc(Br)cc3n2)cnn1C ZINC000564413700 564233301 /nfs/dbraw/zinc/23/33/01/564233301.db2.gz FCKOHWWFEWFHBD-DOTOQJQBSA-N 1 0 390.285 2.759 20 0 GFADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc(I)cc3F)[C@H]2C1 ZINC000450489851 564234689 /nfs/dbraw/zinc/23/46/89/564234689.db2.gz RJJQRVBBCKRMQV-YGRLFVJLSA-N 1 0 388.224 2.597 20 0 GFADRO C[C@H]1C[N@H+](CCCNc2ncnc3cc(Br)ccc32)CCCO1 ZINC000450487975 564235021 /nfs/dbraw/zinc/23/50/21/564235021.db2.gz NWRSYZAFVCBEDS-ZDUSSCGKSA-N 1 0 379.302 3.305 20 0 GFADRO OCC1([NH2+]Cc2cccc(I)c2)Cc2ccccc2C1 ZINC000564477256 564235683 /nfs/dbraw/zinc/23/56/83/564235683.db2.gz GZVCEXOSDMCFKD-UHFFFAOYSA-N 1 0 379.241 2.911 20 0 GFADRO Cc1c(Br)cccc1NC(=O)C(=O)N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C ZINC000507639713 564235887 /nfs/dbraw/zinc/23/58/87/564235887.db2.gz GHMBKOLNTDUQKB-JSGCOSHPSA-N 1 0 394.313 2.781 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)C(=O)N1C[C@H]([NH+]2CCCC2)C[C@@H]1C ZINC000507656180 564237865 /nfs/dbraw/zinc/23/78/65/564237865.db2.gz QOTXRWGJWTXDDS-DZGCQCFKSA-N 1 0 394.313 2.781 20 0 GFADRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)C(=O)Nc1ccc(Br)cc1F ZINC000507662138 564238014 /nfs/dbraw/zinc/23/80/14/564238014.db2.gz VXWLIUMWUVYANN-WCQYABFASA-N 1 0 398.276 2.612 20 0 GFADRO C[C@@H]1[C@@H](NC(=O)c2ccc(I)cc2F)CCC[N@@H+]1C ZINC000450548252 564238630 /nfs/dbraw/zinc/23/86/30/564238630.db2.gz HDFZGTODEZAHON-RNCFNFMXSA-N 1 0 376.213 2.643 20 0 GFADRO C[C@@H](C[NH+]1CCOCC1)C(=O)NCCc1c[nH]c2cccc(Br)c12 ZINC000564542581 564238668 /nfs/dbraw/zinc/23/86/68/564238668.db2.gz HGXZVGMLXPFOBO-ZDUSSCGKSA-N 1 0 394.313 2.557 20 0 GFADRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)C(=O)Nc1c(F)cccc1Br ZINC000507672091 564238777 /nfs/dbraw/zinc/23/87/77/564238777.db2.gz ACHDMIAPSBBLTG-VXGBXAGGSA-N 1 0 398.276 2.612 20 0 GFADRO O=C([C@@H]1C[C@]12CCc1cc(Br)ccc12)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000564568433 564239495 /nfs/dbraw/zinc/23/94/95/564239495.db2.gz RSQUAGKRNBPMHL-CSHUHZATSA-N 1 0 375.310 2.721 20 0 GFADRO Cc1cc(Br)ccc1CN1C(=O)N[C@@]2(CCCC[C@H]2C[NH3+])C1=O ZINC000564567554 564239784 /nfs/dbraw/zinc/23/97/84/564239784.db2.gz KYTBDIGNFFKQAG-SUMWQHHRSA-N 1 0 380.286 2.697 20 0 GFADRO C[C@H]1CN(C2CC2)C[C@@H]1[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000540164659 564240888 /nfs/dbraw/zinc/24/08/88/564240888.db2.gz VZYDHQUOTMURNW-KSSFIOAISA-N 1 0 394.357 2.858 20 0 GFADRO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CC[C@@H](C)[S@](C)=O ZINC000540160153 564241145 /nfs/dbraw/zinc/24/11/45/564241145.db2.gz KKPKMPCXZFGWAH-ZSMADZGOSA-N 1 0 375.332 2.913 20 0 GFADRO Cc1noc(CC[NH2+][C@@H](C)c2nnn(-c3cccc(Br)c3)c2C)n1 ZINC000540174555 564241197 /nfs/dbraw/zinc/24/11/97/564241197.db2.gz LJNYXRNANWOGQT-JTQLQIEISA-N 1 0 391.273 2.923 20 0 GFADRO Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+]CCS(=O)(=O)NC(C)(C)C ZINC000540182787 564241201 /nfs/dbraw/zinc/24/12/01/564241201.db2.gz OPGFCDSNFQNOSJ-LBPRGKRZSA-N 1 0 382.555 2.882 20 0 GFADRO C[NH+](C)CC[C@](C)(O)CNC(=O)c1cnn(-c2ccc(Cl)cc2Cl)c1 ZINC000473255025 564242338 /nfs/dbraw/zinc/24/23/38/564242338.db2.gz OCEWIDQZDZACOX-KRWDZBQOSA-N 1 0 385.295 2.612 20 0 GFADRO Cc1[nH]c(=O)c(Br)cc1C(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000507785279 564243822 /nfs/dbraw/zinc/24/38/22/564243822.db2.gz RGOIGCABTYSKCH-CQSZACIVSA-N 1 0 392.297 2.761 20 0 GFADRO CN(CC[N@H+](C)C1CC1)C(=O)c1ccccc1-n1cc(Br)cn1 ZINC000450694669 564244804 /nfs/dbraw/zinc/24/48/04/564244804.db2.gz DIWCEFGRUOUNEJ-UHFFFAOYSA-N 1 0 377.286 2.801 20 0 GFADRO COC(=O)CNC(=O)CC[NH2+][C@H](c1ccc(Br)cc1)C1CCC1 ZINC000540380576 564246863 /nfs/dbraw/zinc/24/68/63/564246863.db2.gz PEIRYPYQBCZCMX-KRWDZBQOSA-N 1 0 383.286 2.559 20 0 GFADRO C[N@H+](CCCO)C1CCN(C(=O)[C@H]2CCc3cc(Br)ccc32)CC1 ZINC000564730387 564247277 /nfs/dbraw/zinc/24/72/77/564247277.db2.gz LAIGKDKBZPAIEZ-SFHVURJKSA-N 1 0 395.341 2.784 20 0 GFADRO C[N@H+](CCc1cccc(NC(=O)Cn2cc(Br)cn2)c1)C1CC1 ZINC000540433515 564247612 /nfs/dbraw/zinc/24/76/12/564247612.db2.gz SPRKYTRBQGCRCD-UHFFFAOYSA-N 1 0 377.286 2.921 20 0 GFADRO CN(CCn1cc(Br)cn1)C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000564761028 564247994 /nfs/dbraw/zinc/24/79/94/564247994.db2.gz HHWABDODHCUERW-CQSZACIVSA-N 1 0 383.334 2.759 20 0 GFADRO O=C(CSCc1cscn1)Nc1ccccc1C[NH+]1CCC(O)CC1 ZINC000540421806 564248067 /nfs/dbraw/zinc/24/80/67/564248067.db2.gz RKQFHPAMXCXNNS-UHFFFAOYSA-N 1 0 377.535 2.972 20 0 GFADRO COc1ccc(Br)cc1CNC(=O)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000564823673 564250983 /nfs/dbraw/zinc/25/09/83/564250983.db2.gz SOBPDDGKRQRFHR-HNNXBMFYSA-N 1 0 393.285 2.509 20 0 GFADRO O=C(Cc1cc(F)ccc1Br)Nc1ccc(N2CC[NH2+]CC2)cn1 ZINC000564837397 564251748 /nfs/dbraw/zinc/25/17/48/564251748.db2.gz KYBMYVKYBQDGRX-UHFFFAOYSA-N 1 0 393.260 2.574 20 0 GFADRO CN(CC[NH2+]CCC(=O)Nc1cccc(Br)c1)CC(F)(F)F ZINC000564854586 564252424 /nfs/dbraw/zinc/25/24/24/564252424.db2.gz NZQMSZNBSXFUFU-UHFFFAOYSA-N 1 0 382.224 2.861 20 0 GFADRO CC[C@H]([NH2+]CCNC(=O)c1cnccn1)c1cc(F)cc(Br)c1 ZINC000540596786 564252499 /nfs/dbraw/zinc/25/24/99/564252499.db2.gz ZYJKPQWSOCSDBA-AWEZNQCLSA-N 1 0 381.249 2.849 20 0 GFADRO CS[C@@H]1CN(Cc2ccc(I)cc2)C[C@H]1[NH+](C)C ZINC000540578566 564252612 /nfs/dbraw/zinc/25/26/12/564252612.db2.gz NXOIVMODSNQGIS-ZIAGYGMSSA-N 1 0 376.307 2.769 20 0 GFADRO CN(C)C(=O)[C@@H]1CCC[C@H]([NH2+]C[C@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000564857467 564252741 /nfs/dbraw/zinc/25/27/41/564252741.db2.gz TUPLGAPGPJFGHM-RDBSUJKOSA-N 1 0 389.323 2.970 20 0 GFADRO OC[C@@H]([NH2+]C[C@H]1COCCO1)c1ccc(Br)cc1C(F)(F)F ZINC000450897456 564254247 /nfs/dbraw/zinc/25/42/47/564254247.db2.gz PVNCAUOVYMVDHW-GXFFZTMASA-N 1 0 384.192 2.506 20 0 GFADRO Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000508140007 564256206 /nfs/dbraw/zinc/25/62/06/564256206.db2.gz CXWHEXMENCFZAC-CYBMUJFWSA-N 1 0 379.306 2.637 20 0 GFADRO CC[C@H](C)OCC(=O)Nc1cc(Br)ccc1N1CC[NH+](C)CC1 ZINC000508154379 564256447 /nfs/dbraw/zinc/25/64/47/564256447.db2.gz INABHFNMJXMPIG-ZDUSSCGKSA-N 1 0 384.318 2.955 20 0 GFADRO CC[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)C[NH2+]C2CC2)CC1 ZINC000564922272 564257000 /nfs/dbraw/zinc/25/70/00/564257000.db2.gz PMGHVTJKOYAICB-KRWDZBQOSA-N 1 0 380.330 2.796 20 0 GFADRO Cc1cc(C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)cc(Cl)c1Br ZINC000564933097 564258225 /nfs/dbraw/zinc/25/82/25/564258225.db2.gz UJUHNWSWXIOGFC-ZDUSSCGKSA-N 1 0 386.721 2.531 20 0 GFADRO [NH3+]C[C@H]1CCCC[C@@]12NC(=O)N(CCOc1c(Cl)cccc1Cl)C2=O ZINC000564928963 564258377 /nfs/dbraw/zinc/25/83/77/564258377.db2.gz LOQOBCOLICKXPA-PIGZYNQJSA-N 1 0 386.279 2.812 20 0 GFADRO CCC[NH+]1CCN(c2nnc(-c3cc(OC)ccc3Br)n2C)CC1 ZINC000508230741 564258824 /nfs/dbraw/zinc/25/88/24/564258824.db2.gz GGGWHEDBSHEWHK-UHFFFAOYSA-N 1 0 394.317 2.785 20 0 GFADRO Cc1ccc(S(=O)(=O)N[C@@H](C)C[NH+]2CCCCC2)cc1Br ZINC000473955113 564259988 /nfs/dbraw/zinc/25/99/88/564259988.db2.gz ZRQKGAGNDMPJSH-ZDUSSCGKSA-N 1 0 375.332 2.910 20 0 GFADRO C[C@H](CCc1ccc(I)cc1)[NH2+]CCCS(C)(=O)=O ZINC000474719254 564286838 /nfs/dbraw/zinc/28/68/38/564286838.db2.gz JOGDZCCSMZEPEI-GFCCVEGCSA-N 1 0 395.306 2.637 20 0 GFADRO O=C(NCC1CC[NH+](Cc2cccs2)CC1)N[C@H](CO)CC(F)(F)F ZINC000540903925 564260518 /nfs/dbraw/zinc/26/05/18/564260518.db2.gz KRBSJRNQMHAQPE-ZDUSSCGKSA-N 1 0 379.448 2.573 20 0 GFADRO C[N@@H+]1CCN(CCNC(=O)CCc2cc(Br)cs2)CC1(C)C ZINC000508336005 564260682 /nfs/dbraw/zinc/26/06/82/564260682.db2.gz ZNHQUPQAUXZFLW-UHFFFAOYSA-N 1 0 388.375 2.585 20 0 GFADRO COCC[N@@H+]1CCCN(C(=O)C2(c3cc(F)cc(Br)c3)CC2)CC1 ZINC000508383884 564262557 /nfs/dbraw/zinc/26/25/57/564262557.db2.gz FBMFIJVEQXARPC-UHFFFAOYSA-N 1 0 399.304 2.801 20 0 GFADRO C[C@H](NC(=O)N[C@@H](CCO)c1ccccc1Br)C1=CC[N@H+](C)CC1 ZINC000541018793 564263353 /nfs/dbraw/zinc/26/33/53/564263353.db2.gz HPIROCMPYILGRL-GUYCJALGSA-N 1 0 396.329 2.822 20 0 GFADRO NS(=O)(=O)NC[C@@H]1CCC[N@H+](CCCCc2ccc(Cl)c(Cl)c2)C1 ZINC000474145546 564267871 /nfs/dbraw/zinc/26/78/71/564267871.db2.gz BXCBFXCEOAQUKQ-AWEZNQCLSA-N 1 0 394.368 2.821 20 0 GFADRO CC(C)[NH+]1CCC(N2CCN(Cc3ncc(Br)s3)CC2)CC1 ZINC000541222394 564270046 /nfs/dbraw/zinc/27/00/46/564270046.db2.gz XZMFAPXYJNPJBL-UHFFFAOYSA-N 1 0 387.391 2.896 20 0 GFADRO Cn1c(-c2ccc(Br)s2)nnc1N1CC[NH+](CC2CC2)CC1 ZINC000508757139 564271960 /nfs/dbraw/zinc/27/19/60/564271960.db2.gz WCLTWLHOUUJAEF-UHFFFAOYSA-N 1 0 382.331 2.838 20 0 GFADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2C)C1 ZINC000508761581 564272255 /nfs/dbraw/zinc/27/22/55/564272255.db2.gz IJKDFPPXAUBRKP-CYBMUJFWSA-N 1 0 395.349 2.751 20 0 GFADRO Fc1ccc(I)c(F)c1CN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000474265970 564272623 /nfs/dbraw/zinc/27/26/23/564272623.db2.gz JJUFINYLNXDHLA-SNVBAGLBSA-N 1 0 378.204 2.849 20 0 GFADRO Fc1ccc(I)c(F)c1CN1C[C@@H]2CCC[NH2+][C@@H]2C1 ZINC000474276540 564272660 /nfs/dbraw/zinc/27/26/60/564272660.db2.gz OFNGNUKYXGQMRM-TVQRCGJNSA-N 1 0 378.204 2.753 20 0 GFADRO Cc1cc(Br)cn2c(C[NH2+][C@@H]3CC(=O)N([C@@H]4C[C@@H]4C)C3)cnc12 ZINC000541392680 564277731 /nfs/dbraw/zinc/27/77/31/564277731.db2.gz IRZBPELISGDQFE-PSOPSSQASA-N 1 0 377.286 2.504 20 0 GFADRO CC[NH+]1CCC(CNC(=O)C2(c3cccc(Br)c3)CC(=O)C2)CC1 ZINC000565392156 564278992 /nfs/dbraw/zinc/27/89/92/564278992.db2.gz CABONMCTYOLREN-UHFFFAOYSA-N 1 0 393.325 2.898 20 0 GFADRO CNC(=O)NC(=O)[C@H](C)[NH+]1CCC(C)(c2cccc(Br)c2)CC1 ZINC000509052808 564279619 /nfs/dbraw/zinc/27/96/19/564279619.db2.gz FSLKKMXXDUGRMJ-LBPRGKRZSA-N 1 0 382.302 2.647 20 0 GFADRO Cc1ccc(S(=O)(=O)N[C@H]2CCC[N@@H+](C(C)C)C2)c(Br)c1 ZINC000474571927 564281792 /nfs/dbraw/zinc/28/17/92/564281792.db2.gz CDVKJJIIZHOUMV-ZDUSSCGKSA-N 1 0 375.332 2.909 20 0 GFADRO CN(C[C@@H]1CCC[N@H+](C)C1)S(=O)(=O)Cc1ccc(Br)c(F)c1 ZINC000451205949 564286294 /nfs/dbraw/zinc/28/62/94/564286294.db2.gz ZJWNVJMDYQJEKL-CYBMUJFWSA-N 1 0 393.322 2.692 20 0 GFADRO COCC[N@@H+]1CC[C@H](NC(=O)N2CCc3c(Br)cccc3[C@H]2C)C1 ZINC000509199520 564286746 /nfs/dbraw/zinc/28/67/46/564286746.db2.gz XWLHUNJNDJMCOM-KGLIPLIRSA-N 1 0 396.329 2.799 20 0 GFADRO CC[NH+](CC)CCOCCNC(=O)c1cc(F)c(F)cc1Br ZINC000541751208 564287332 /nfs/dbraw/zinc/28/73/32/564287332.db2.gz JSGQAYAVALNWOR-UHFFFAOYSA-N 1 0 379.245 2.816 20 0 GFADRO O[C@@H](C[NH2+]Cc1cc2cc(Br)ccc2[nH]1)COC1CCOCC1 ZINC000565593959 564287457 /nfs/dbraw/zinc/28/74/57/564287457.db2.gz LAALVCYURZFDIR-HNNXBMFYSA-N 1 0 383.286 2.577 20 0 GFADRO Cc1ccc(C(=O)NC(C)(C)CC[NH+]2CCN(C)CC2)c(Br)c1 ZINC000474810702 564290118 /nfs/dbraw/zinc/29/01/18/564290118.db2.gz SKJKAUJOTXGZEG-UHFFFAOYSA-N 1 0 382.346 2.903 20 0 GFADRO CSC[C@@](C)(O)C[NH2+]Cc1c(F)ccc(I)c1F ZINC000474819346 564290359 /nfs/dbraw/zinc/29/03/59/564290359.db2.gz XGEMPXWSNDNISB-LBPRGKRZSA-N 1 0 387.233 2.773 20 0 GFADRO C[C@H](CCc1ccc(I)cc1)[NH2+][C@@H]1CCC(=O)N(C)C1 ZINC000474815525 564290377 /nfs/dbraw/zinc/29/03/77/564290377.db2.gz ZEDVZMLSMLEPSB-IUODEOHRSA-N 1 0 386.277 2.823 20 0 GFADRO CN1CC[NH+](CCC(C)(C)NC(=O)COc2c(Cl)cccc2Cl)CC1 ZINC000474818301 564290572 /nfs/dbraw/zinc/29/05/72/564290572.db2.gz SHRPHZXIHDVZDB-UHFFFAOYSA-N 1 0 388.339 2.905 20 0 GFADRO CC[NH+](CC)CCOCCNS(=O)(=O)c1cc(Cl)c(OC)cc1Cl ZINC000541833202 564291600 /nfs/dbraw/zinc/29/16/00/564291600.db2.gz QMRQOHCAMBWKDD-UHFFFAOYSA-N 1 0 399.340 2.639 20 0 GFADRO COCC[N@H+](C)CCCNC(=O)c1cc2sc(N3CCCC3)nc2s1 ZINC000474885459 564291979 /nfs/dbraw/zinc/29/19/79/564291979.db2.gz IEDURHMKYGXDST-UHFFFAOYSA-N 1 0 382.555 2.656 20 0 GFADRO Cc1ncsc1CCS(=O)(=O)NCC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000451265112 564292986 /nfs/dbraw/zinc/29/29/86/564292986.db2.gz AUXSGPZEDXHMCU-HNNXBMFYSA-N 1 0 381.567 2.824 20 0 GFADRO CC[NH+](CC)CCO[C@@H]1CCN(S(=O)(=O)C[C@@H]2CCCCC2(F)F)C1 ZINC000451266830 564293374 /nfs/dbraw/zinc/29/33/74/564293374.db2.gz HDBHHLYFVQVSJS-JKSUJKDBSA-N 1 0 382.517 2.574 20 0 GFADRO COC[C@H](C[NH2+][C@H](C)CCc1ccc(I)cc1)OC ZINC000474925105 564293521 /nfs/dbraw/zinc/29/35/21/564293521.db2.gz IPDOHEIZAMAREU-DOMZBBRYSA-N 1 0 377.266 2.863 20 0 GFADRO COC[C@@H](C[NH2+][C@@H](C)CCc1ccc(I)cc1)OC ZINC000474925108 564294098 /nfs/dbraw/zinc/29/40/98/564294098.db2.gz IPDOHEIZAMAREU-SWLSCSKDSA-N 1 0 377.266 2.863 20 0 GFADRO CSc1ccccc1C[N@H+](C)CCN(C)c1ccc(S(N)(=O)=O)cc1 ZINC000451276231 564294713 /nfs/dbraw/zinc/29/47/13/564294713.db2.gz JZWJGRBBJRGNHA-UHFFFAOYSA-N 1 0 379.551 2.624 20 0 GFADRO CC[NH+](CC)[C@H]1CCN(C(=O)c2cc(I)ccc2F)C1 ZINC000474946430 564294941 /nfs/dbraw/zinc/29/49/41/564294941.db2.gz ZYHWJYQUXAVXFZ-LBPRGKRZSA-N 1 0 390.240 2.987 20 0 GFADRO O=C(CC[C@@H]1CC[NH2+]C1)NCc1ccc(I)c(Cl)c1 ZINC000565773621 564295169 /nfs/dbraw/zinc/29/51/69/564295169.db2.gz RXQIWCLPYTVCOA-SNVBAGLBSA-N 1 0 392.668 2.951 20 0 GFADRO CC[C@@H]1C[C@H](C[NH2+]CCNS(=O)(=O)c2ccc(F)cc2Cl)CCO1 ZINC000509411526 564297631 /nfs/dbraw/zinc/29/76/31/564297631.db2.gz UPDYCGPFKHPBLW-TZMCWYRMSA-N 1 0 378.897 2.552 20 0 GFADRO O=S(=O)(CC[NH2+][C@H](CO)C1CCCCC1)c1ccc(Br)cc1 ZINC000541983621 564297642 /nfs/dbraw/zinc/29/76/42/564297642.db2.gz KZXINYBECYTRNO-MRXNPFEDSA-N 1 0 390.343 2.754 20 0 GFADRO C[C@@H](O)C[NH+]1CCN(Cc2ccc(OC(F)(F)F)c(Br)c2)CC1 ZINC000475088938 564299498 /nfs/dbraw/zinc/29/94/98/564299498.db2.gz NCZTZAQSTTYSOI-LLVKDONJSA-N 1 0 397.235 2.846 20 0 GFADRO Cc1cc(F)c(Br)cc1NC(=O)C(=O)N[C@@H](C)C1=CC[N@H+](C)CC1 ZINC000475159061 564302324 /nfs/dbraw/zinc/30/23/24/564302324.db2.gz XMILDPDOUDYAOO-NSHDSACASA-N 1 0 398.276 2.602 20 0 GFADRO C[C@H]([NH2+]CCCOc1ccc(C(F)(F)F)cn1)C1CCS(=O)(=O)CC1 ZINC000475216525 564302785 /nfs/dbraw/zinc/30/27/85/564302785.db2.gz OUHCLVABEKHXMH-LBPRGKRZSA-N 1 0 380.432 2.672 20 0 GFADRO Cn1cc(-c2ccc(C[NH2+]Cc3cccc(NS(C)(=O)=O)c3)s2)cn1 ZINC000509531667 564303325 /nfs/dbraw/zinc/30/33/25/564303325.db2.gz FKYPPBLCBVYXRU-UHFFFAOYSA-N 1 0 376.507 2.810 20 0 GFADRO CO[C@@H]1CCN(C(=O)[C@@H]2C[C@@]23CCc2cc(Br)ccc23)[C@@H](C[NH3+])C1 ZINC000566004500 564305709 /nfs/dbraw/zinc/30/57/09/564305709.db2.gz CPOBFYGCILGGPE-IIHSZXCVSA-N 1 0 393.325 2.618 20 0 GFADRO CCC[N@H+](C)[C@@H](CNS(=O)(=O)c1cncn1CC)c1ccc(Cl)cc1 ZINC000509635687 564306656 /nfs/dbraw/zinc/30/66/56/564306656.db2.gz RUVOGFNMLVVQJG-INIZCTEOSA-N 1 0 384.933 2.918 20 0 GFADRO Cn1cc(Br)c(CN[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)n1 ZINC000566088697 564308532 /nfs/dbraw/zinc/30/85/32/564308532.db2.gz ZCVLTZDCRUWJRG-RHSMWYFYSA-N 1 0 377.286 2.528 20 0 GFADRO CCC[NH+]1CCN(c2ncnc3cccc(I)c32)CC1 ZINC000509669506 564308862 /nfs/dbraw/zinc/30/88/62/564308862.db2.gz ZBCSFOPNJQYSSN-UHFFFAOYSA-N 1 0 382.249 2.766 20 0 GFADRO O=S1(=O)CCCC[C@H]1C[NH2+]Cc1cc(Cl)ccc1OC[C@H]1CCCO1 ZINC000542312151 564309386 /nfs/dbraw/zinc/30/93/86/564309386.db2.gz WDYJHUDXPCPBQW-SJORKVTESA-N 1 0 387.929 2.955 20 0 GFADRO CO[C@@H]1CCN(C(=O)[C@@H](C)Cc2ccc(F)c(Br)c2)[C@@H](C[NH3+])C1 ZINC000566099210 564309497 /nfs/dbraw/zinc/30/94/97/564309497.db2.gz XYHNQQNZYQPWFA-IACUBPJLSA-N 1 0 387.293 2.732 20 0 GFADRO [NH3+][C@@H]1CCC[C@H](CNC(=O)c2cc(F)c(F)cc2I)C1 ZINC000566102945 564309640 /nfs/dbraw/zinc/30/96/40/564309640.db2.gz GOKFIUVRXLMXDI-DTWKUNHWSA-N 1 0 394.203 2.817 20 0 GFADRO C[C@@H](C[N@H+](C)CCC(=O)Nc1ccc(C(N)=O)c(Cl)c1)c1nccs1 ZINC000542306802 564309796 /nfs/dbraw/zinc/30/97/96/564309796.db2.gz JCZYSSCKPSOIGL-NSHDSACASA-N 1 0 380.901 2.960 20 0 GFADRO O=C(NCC[NH2+]C[C@H](O)CCc1ccccc1)c1ccc(Br)cc1 ZINC000566108203 564310726 /nfs/dbraw/zinc/31/07/26/564310726.db2.gz WFWHUWWTQFAJMI-GOSISDBHSA-N 1 0 391.309 2.762 20 0 GFADRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)C(=O)Nc1cc(Br)ccc1F ZINC000509738834 564312125 /nfs/dbraw/zinc/31/21/25/564312125.db2.gz RPPLPOQGXFKKNR-XHDPSFHLSA-N 1 0 398.276 2.612 20 0 GFADRO CCC[C@@H]([NH2+]CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl)C(C)(C)C ZINC000451432399 564312443 /nfs/dbraw/zinc/31/24/43/564312443.db2.gz FVIFUOSAJBAFAD-CQSZACIVSA-N 1 0 375.922 2.730 20 0 GFADRO COc1ccc(Br)cc1CNC(=O)[C@]1([NH3+])[C@H]2CCCO[C@H]2C1(C)C ZINC000566170473 564313520 /nfs/dbraw/zinc/31/35/20/564313520.db2.gz FTTBFORUYAIDNQ-JCKWVBRZSA-N 1 0 397.313 2.606 20 0 GFADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(Cl)c(Br)c1 ZINC000509802786 564313785 /nfs/dbraw/zinc/31/37/85/564313785.db2.gz IVZLVTHOJJUOTF-GFCCVEGCSA-N 1 0 375.694 2.943 20 0 GFADRO COc1ccccc1[C@H](CNc1cc(Br)cnc1C(N)=O)[NH+](C)C ZINC000542467908 564315695 /nfs/dbraw/zinc/31/56/95/564315695.db2.gz CSORBZYDJUFSGC-AWEZNQCLSA-N 1 0 393.285 2.666 20 0 GFADRO O=C(c1ccccc1I)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000566198564 564316288 /nfs/dbraw/zinc/31/62/88/564316288.db2.gz DLZJECSWYQFDFC-QWHCGFSZSA-N 1 0 384.261 2.753 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCc2cc(Br)cs2)CC1 ZINC000566211033 564316807 /nfs/dbraw/zinc/31/68/07/564316807.db2.gz BZAGEPUUIJFODK-ZBFHGGJFSA-N 1 0 387.343 2.798 20 0 GFADRO O=C(NCCC[C@@H]1CCC[NH2+]1)[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000566212374 564317159 /nfs/dbraw/zinc/31/71/59/564317159.db2.gz SQVZOUNUHKFPKM-JSGCOSHPSA-N 1 0 384.307 2.995 20 0 GFADRO COC(=O)CN(C)C(=O)CC[N@@H+](Cc1cccc(Br)c1)CC1CC1 ZINC000475742130 564317550 /nfs/dbraw/zinc/31/75/50/564317550.db2.gz LOXVONHYQHJGHD-UHFFFAOYSA-N 1 0 397.313 2.683 20 0 GFADRO O=C(NCCCC[N@H+]1CCC[C@@H]1CO)[C@H]1CCc2cc(Br)ccc21 ZINC000566284095 564321246 /nfs/dbraw/zinc/32/12/46/564321246.db2.gz RKRWYWZDQCWHCS-AEFFLSMTSA-N 1 0 395.341 2.832 20 0 GFADRO COCC[NH2+]C1CCN(S(=O)(=O)c2c(Cl)ccc3ccccc32)CC1 ZINC000566355624 564324387 /nfs/dbraw/zinc/32/43/87/564324387.db2.gz FVXBBSGNUDCFIK-UHFFFAOYSA-N 1 0 382.913 2.882 20 0 GFADRO CSC1(CNS(=O)(=O)Cc2c(F)cccc2Cl)CC[NH+](C)CC1 ZINC000451576060 564327614 /nfs/dbraw/zinc/32/76/14/564327614.db2.gz ZIMCYOYEAKKUAY-UHFFFAOYSA-N 1 0 380.938 2.726 20 0 GFADRO O=C(c1cn2ccc(Br)cc2n1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000510211663 564328267 /nfs/dbraw/zinc/32/82/67/564328267.db2.gz VSIWXIBWVYZEKN-CQSZACIVSA-N 1 0 377.286 2.797 20 0 GFADRO COC(=O)c1ccc(C[NH2+][C@H]2CCN(c3ccccc3Br)C2)[nH]1 ZINC000542853766 564328585 /nfs/dbraw/zinc/32/85/85/564328585.db2.gz LBNFJSMUFSFORL-ZDUSSCGKSA-N 1 0 378.270 2.932 20 0 GFADRO CN(Cc1ccccc1Br)C(=O)C[NH2+][C@H]([C@@H](CO)C1CC1)C1CC1 ZINC000451589950 564329148 /nfs/dbraw/zinc/32/91/48/564329148.db2.gz LPEHYAYNJVNVDK-LPHOPBHVSA-N 1 0 395.341 2.794 20 0 GFADRO O=C1[C@H]([NH2+][C@H]([C@@H](CO)C2CC2)C2CC2)CCN1c1cccc(Br)c1 ZINC000451614003 564331212 /nfs/dbraw/zinc/33/12/12/564331212.db2.gz OEDGBYGMXRJNKZ-KSZLIROESA-N 1 0 393.325 2.941 20 0 GFADRO C[C@@]1(C(=O)N2CCN(C(=O)c3cc4sccc4s3)CC2)CCCC[NH2+]1 ZINC000510442039 564333799 /nfs/dbraw/zinc/33/37/99/564333799.db2.gz HSMJWZQCGGQIMS-SFHVURJKSA-N 1 0 377.535 2.779 20 0 GFADRO CS[C@@H]1CN(C(=O)C2(c3ccccc3Br)CC2)C[C@@H]1[NH+](C)C ZINC000476332247 564335349 /nfs/dbraw/zinc/33/53/49/564335349.db2.gz KCMTXYUOUFEWLI-LSDHHAIUSA-N 1 0 383.355 2.985 20 0 GFADRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1S(=O)(=O)c1cccc(Br)c1F ZINC000510486423 564335857 /nfs/dbraw/zinc/33/58/57/564335857.db2.gz ZKNDAKLFHOGRLP-VXGBXAGGSA-N 1 0 391.306 2.836 20 0 GFADRO Cc1c(Br)cc(C(=O)N2CCC(C[N@@H+](C)C(C)C)CC2)c(=O)n1C ZINC000566653420 564336535 /nfs/dbraw/zinc/33/65/35/564336535.db2.gz MSSGEXXETZJZRU-UHFFFAOYSA-N 1 0 398.345 2.649 20 0 GFADRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1S(=O)(=O)c1ccc(F)cc1Br ZINC000510504333 564336836 /nfs/dbraw/zinc/33/68/36/564336836.db2.gz YAQKFWZEEHSZNI-AAEUAGOBSA-N 1 0 391.306 2.836 20 0 GFADRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1S(=O)(=O)Cc1ccc(Br)cc1 ZINC000510534344 564337371 /nfs/dbraw/zinc/33/73/71/564337371.db2.gz PNJIZICPJRWOQY-CZUORRHYSA-N 1 0 387.343 2.838 20 0 GFADRO COc1ccc(Br)c(CNC(=O)N[C@H](C)C2=CC[N@H+](C)CC2)c1 ZINC000510568124 564339500 /nfs/dbraw/zinc/33/95/00/564339500.db2.gz CRUFIPQRZBTHBM-GFCCVEGCSA-N 1 0 382.302 2.907 20 0 GFADRO O[C@@H](COc1cccc(Br)c1)C[N@@H+]1CC[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC000451716346 564342860 /nfs/dbraw/zinc/34/28/60/564342860.db2.gz UTPNEPGSPXXFIP-MUIFIZLQSA-N 1 0 384.314 2.672 20 0 GFADRO Cc1ccsc1[C@@H](CO)[NH2+]C[C@H](O)COc1cccc(Br)c1 ZINC000566773651 564343081 /nfs/dbraw/zinc/34/30/81/564343081.db2.gz QOZPRLBSLULMJK-DZGCQCFKSA-N 1 0 386.311 2.882 20 0 GFADRO O=C1[C@@H]([NH2+][C@@H]2CCc3ccc(Br)cc32)CCN1C1CCOCC1 ZINC000510670820 564343339 /nfs/dbraw/zinc/34/33/39/564343339.db2.gz YBKSJVBXYGTSTF-SJORKVTESA-N 1 0 379.298 2.806 20 0 GFADRO C[NH+](C)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2Br)C1 ZINC000543244828 564343590 /nfs/dbraw/zinc/34/35/90/564343590.db2.gz HZHWUIOLSGHCIG-LLVKDONJSA-N 1 0 381.723 2.817 20 0 GFADRO C[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2ccc(Cl)cc2Br)C1 ZINC000543249866 564345003 /nfs/dbraw/zinc/34/50/03/564345003.db2.gz WQHDIGJECQSRCH-JTQLQIEISA-N 1 0 381.723 2.723 20 0 GFADRO CS(=O)(=O)N[C@@H]1CCCC[C@@H]1[NH2+]CCOc1cc(Cl)ccc1Cl ZINC000510768573 564346374 /nfs/dbraw/zinc/34/63/74/564346374.db2.gz UMYFBNFRXPDWJW-UONOGXRCSA-N 1 0 381.325 2.822 20 0 GFADRO COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]C[C@H]1CCCCS1(=O)=O ZINC000543411884 564349979 /nfs/dbraw/zinc/34/99/79/564349979.db2.gz CCGIZODPMSCGOQ-TZMCWYRMSA-N 1 0 388.917 2.623 20 0 GFADRO CC(C)OC[C@@H](O)C[N@H+](CCn1ccnc1)Cc1ccc(Br)o1 ZINC000510934574 564350534 /nfs/dbraw/zinc/35/05/34/564350534.db2.gz GPAIZGMIISZOJH-AWEZNQCLSA-N 1 0 386.290 2.527 20 0 GFADRO CN(C)CC[N@H+](C)CCCNC(=O)c1cc2c(ccc(F)c2Br)[nH]1 ZINC000451798311 564353231 /nfs/dbraw/zinc/35/32/31/564353231.db2.gz SYNODJSRKYZSCM-UHFFFAOYSA-N 1 0 399.308 2.683 20 0 GFADRO Cc1ccc(Br)cc1CC(=O)N(C)CCC[N@@H+](C)CCN(C)C ZINC000451796955 564353344 /nfs/dbraw/zinc/35/33/44/564353344.db2.gz NVWZKXSWGOTBBR-UHFFFAOYSA-N 1 0 384.362 2.642 20 0 GFADRO CN(C)CC[N@H+](C)CCCNC(=O)c1cc(Cl)c(Br)cc1F ZINC000451799688 564353356 /nfs/dbraw/zinc/35/33/56/564353356.db2.gz XKHCDJNTFIKVQZ-UHFFFAOYSA-N 1 0 394.716 2.855 20 0 GFADRO CCC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1ccc(Br)cc1F ZINC000511018772 564353663 /nfs/dbraw/zinc/35/36/63/564353663.db2.gz SPNUYOHZBNHSCZ-LBPRGKRZSA-N 1 0 379.295 2.741 20 0 GFADRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)Nc1nnc(-c2c(F)cccc2Cl)s1 ZINC000567040182 564354320 /nfs/dbraw/zinc/35/43/20/564354320.db2.gz LBDLUUDTMVCOAC-SNVBAGLBSA-N 1 0 383.880 3.556 20 0 GFADRO Cc1nc(CNC(=O)Nc2cnc3c(c2)C[C@@H]([NH3+])CC3)sc1Br ZINC000567029871 564354503 /nfs/dbraw/zinc/35/45/03/564354503.db2.gz DKMGZXRQLMNKPR-JTQLQIEISA-N 1 0 396.314 2.747 20 0 GFADRO CN(C)CC[NH+]1CCC(CNC(=O)COc2c(Cl)cccc2Cl)CC1 ZINC000511044430 564354952 /nfs/dbraw/zinc/35/49/52/564354952.db2.gz HSVAEFDNXXQVPY-UHFFFAOYSA-N 1 0 388.339 2.762 20 0 GFADRO C[C@H](c1ccc(OC(F)F)cc1)[N@@H+]1CCC[C@@H](CN(C)S(C)(=O)=O)C1 ZINC000511082619 564356825 /nfs/dbraw/zinc/35/68/25/564356825.db2.gz TXDYNVUPFLGGTG-KGLIPLIRSA-N 1 0 376.469 2.952 20 0 GFADRO CC[C@@H](C)[NH+]1CCN([C@@H]2CCN(c3cccc(Br)c3)C2=O)CC1 ZINC000451831811 564357086 /nfs/dbraw/zinc/35/70/86/564357086.db2.gz BCAQUEXRAXHDHF-RHSMWYFYSA-N 1 0 380.330 2.971 20 0 GFADRO CC[C@H](Cc1cccc(Br)c1)C(=O)NC[C@]1(O)C[NH+]2CCC1CC2 ZINC000567122482 564358283 /nfs/dbraw/zinc/35/82/83/564358283.db2.gz ILTDTEVEBRXQFB-BEFAXECRSA-N 1 0 395.341 2.591 20 0 GFADRO C[C@H]1CCC[C@](CNC(=O)c2c(Cl)cccc2S(C)(=O)=O)([NH+](C)C)C1 ZINC000476907359 564358716 /nfs/dbraw/zinc/35/87/16/564358716.db2.gz PURHWHWSRUPBBS-UGSOOPFHSA-N 1 0 386.945 2.984 20 0 GFADRO Cn1c(=O)cc(C[N@H+]2CC=C(c3ccc(Cl)c(Cl)c3)CC2)n(C)c1=O ZINC000511180490 564361580 /nfs/dbraw/zinc/36/15/80/564361580.db2.gz FMVAXEAGQFYSKV-UHFFFAOYSA-N 1 0 380.275 2.680 20 0 GFADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)C1(c2cc(F)cc(Br)c2)CC1 ZINC000511189061 564361667 /nfs/dbraw/zinc/36/16/67/564361667.db2.gz DDNBDIPJTZOEKL-INIZCTEOSA-N 1 0 399.304 2.847 20 0 GFADRO CCc1cnc(CN(C)CCC(=O)Nc2ccc(C(N)=O)c(Cl)c2)s1 ZINC000477021069 564361970 /nfs/dbraw/zinc/36/19/70/564361970.db2.gz LOJZDHKFCAXYDJ-UHFFFAOYSA-N 1 0 380.901 2.918 20 0 GFADRO CC(=O)Nc1ccc(S(=O)(=O)NC(C)(C)CCC[NH+](C)C)cc1Cl ZINC000451887700 564362090 /nfs/dbraw/zinc/36/20/90/564362090.db2.gz KBYHEQJNJXXNHF-UHFFFAOYSA-N 1 0 375.922 2.697 20 0 GFADRO CN(Cc1cc(Br)cs1)C(=O)C[N@@H+]1CCC[C@]2(CCOC2)C1 ZINC000451895093 564363668 /nfs/dbraw/zinc/36/36/68/564363668.db2.gz DLKQUTMEZRPGGF-INIZCTEOSA-N 1 0 387.343 2.972 20 0 GFADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)N(C)Cc1cccc(Br)c1 ZINC000477134223 564366143 /nfs/dbraw/zinc/36/61/43/564366143.db2.gz NXUQUNPTZSJIOG-MRXNPFEDSA-N 1 0 384.318 2.701 20 0 GFADRO CS[C@@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)C[C@H]1[NH+]1CCCC1 ZINC000477136655 564366267 /nfs/dbraw/zinc/36/62/67/564366267.db2.gz CYZWWLXVCVAYQX-HUUCEWRRSA-N 1 0 394.484 2.906 20 0 GFADRO COc1cc(C)c(S(=O)(=O)N2C[C@@H](SC)[C@@H]([NH+]3CCCC3)C2)cc1C ZINC000477137144 564366384 /nfs/dbraw/zinc/36/63/84/564366384.db2.gz LDXKWBORKLPAOP-DOTOQJQBSA-N 1 0 384.567 2.512 20 0 GFADRO CCN1CCN(S(=O)(=O)c2cc(Cl)c(Br)cc2F)[C@@H](C)C1 ZINC000511335896 564368155 /nfs/dbraw/zinc/36/81/55/564368155.db2.gz VWQXWXZMIAQIGJ-VIFPVBQESA-N 1 0 399.713 2.956 20 0 GFADRO C[C@H]1C[N@H+](C)CCN1c1ccc(Br)cc1NC(=O)c1cn(C)cn1 ZINC000567344064 564368168 /nfs/dbraw/zinc/36/81/68/564368168.db2.gz ADAUDKLFBCLSOY-LBPRGKRZSA-N 1 0 392.301 2.575 20 0 GFADRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NS(=O)(=O)c1ccc(C(F)(F)F)nc1 ZINC000543908856 564369002 /nfs/dbraw/zinc/36/90/02/564369002.db2.gz ODRALNRQYZQUAN-UPJWGTAASA-N 1 0 379.448 2.745 20 0 GFADRO C[C@@H](CC[NH3+])NC(=O)c1nn(-c2cccc(Br)c2)c2c1CCC2 ZINC000477222794 564370115 /nfs/dbraw/zinc/37/01/15/564370115.db2.gz NJYWEAYPJUPQTM-NSHDSACASA-N 1 0 377.286 2.591 20 0 GFADRO CC(=O)N1CCN(CC[NH2+][C@@H]2CCCc3c(Br)cccc32)CC1 ZINC000544008757 564371292 /nfs/dbraw/zinc/37/12/92/564371292.db2.gz PNBQAPKPEOSHFE-GOSISDBHSA-N 1 0 380.330 2.580 20 0 GFADRO COc1ccc(C(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)cc1I ZINC000477287988 564372470 /nfs/dbraw/zinc/37/24/70/564372470.db2.gz YJBMGVKNGPDJAP-PWSUYJOCSA-N 1 0 388.249 2.512 20 0 GFADRO CN(C)C(=O)N[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc(Br)cc2)C1 ZINC000451982058 564374946 /nfs/dbraw/zinc/37/49/46/564374946.db2.gz BIBIOXHKCJRXES-OAHLLOKOSA-N 1 0 397.317 2.513 20 0 GFADRO Cc1ccccc1OC[C@@H](O)C[NH2+][C@](C)(CO)c1ccc(Br)cc1 ZINC000511607222 564377221 /nfs/dbraw/zinc/37/72/21/564377221.db2.gz TYVHRDXRXRABTP-PKOBYXMFSA-N 1 0 394.309 2.995 20 0 GFADRO CC1CCC(NC(=O)C[NH2+][C@@](C)(CO)c2ccc(Br)cc2)CC1 ZINC000511606063 564377432 /nfs/dbraw/zinc/37/74/32/564377432.db2.gz SSWLOWZBBXSQCK-AUCFXJAVSA-N 1 0 383.330 2.941 20 0 GFADRO Cc1cc(Br)cn2c(C[NH2+]CCn3cnnc3C3CC3)cnc12 ZINC000544170066 564378249 /nfs/dbraw/zinc/37/82/49/564378249.db2.gz NILPHCFVMFMSFZ-UHFFFAOYSA-N 1 0 375.274 2.664 20 0 GFADRO O=C(CCc1nc2cc(Cl)ccc2s1)N[C@H](CO)C[NH+]1CCCCC1 ZINC000567587249 564378401 /nfs/dbraw/zinc/37/84/01/564378401.db2.gz POTNABBLLMWPRK-AWEZNQCLSA-N 1 0 381.929 2.845 20 0 GFADRO C[C@H]1CCC(C)(C)[N@@H+]1CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000452007968 564380964 /nfs/dbraw/zinc/38/09/64/564380964.db2.gz ODXBJZICQJTIKY-LBPRGKRZSA-N 1 0 387.933 2.792 20 0 GFADRO COc1ccc([C@H](C)NCc2nnc(C3CC[NH2+]CC3)[nH]2)c(Br)c1 ZINC000567673753 564382492 /nfs/dbraw/zinc/38/24/92/564382492.db2.gz GFFUZRDTIZJDHW-NSHDSACASA-N 1 0 394.317 2.894 20 0 GFADRO C[C@@H]1COCC[C@@H]1C[NH2+]C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000567708507 564384611 /nfs/dbraw/zinc/38/46/11/564384611.db2.gz PYEAKRKTERDODO-JMSVASOKSA-N 1 0 376.266 2.590 20 0 GFADRO Ic1ccc2c(c1)[C@H]([NH2+]CCCn1ccnn1)CCCO2 ZINC000544373818 564384842 /nfs/dbraw/zinc/38/48/42/564384842.db2.gz SRRDSDFTQQIYLA-CQSZACIVSA-N 1 0 398.248 2.776 20 0 GFADRO CCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@H](CO)c1ccc(Br)cc1 ZINC000511907474 564385112 /nfs/dbraw/zinc/38/51/12/564385112.db2.gz BHROIGBACGYDFW-JKSUJKDBSA-N 1 0 384.318 2.656 20 0 GFADRO C[N@H+](CC(=O)N1CCc2sccc2C1)C1CCN(CC(F)(F)F)CC1 ZINC000452039417 564385814 /nfs/dbraw/zinc/38/58/14/564385814.db2.gz OELWOAFWZZFYRB-UHFFFAOYSA-N 1 0 375.460 2.591 20 0 GFADRO CC[N@@H+]1CCC[C@H](CNS(=O)(=O)c2c(F)cccc2OC(F)(F)F)C1 ZINC000567772826 564387121 /nfs/dbraw/zinc/38/71/21/564387121.db2.gz XJZQAWMLESSNCR-LLVKDONJSA-N 1 0 384.395 2.735 20 0 GFADRO CC[NH+]1CCN(CC(C)(C)NS(=O)(=O)c2cccc(Cl)c2Cl)CC1 ZINC000452059386 564387743 /nfs/dbraw/zinc/38/77/43/564387743.db2.gz OXGIQEKKDFQXBO-UHFFFAOYSA-N 1 0 394.368 2.688 20 0 GFADRO CC(C)C[C@H](NCc1cscc1Br)C(=O)NCC[NH+](C)C ZINC000512008070 564388429 /nfs/dbraw/zinc/38/84/29/564388429.db2.gz PFMDEZKRLXISSO-AWEZNQCLSA-N 1 0 376.364 2.693 20 0 GFADRO Cc1cc(Br)c(S(=O)(=O)N(C)CCC[NH+]2CCCC2)s1 ZINC000544596111 564389993 /nfs/dbraw/zinc/38/99/93/564389993.db2.gz KIMGBKKJQRMYKO-UHFFFAOYSA-N 1 0 381.361 2.925 20 0 GFADRO C[C@H](CNCc1ncc(I)s1)[NH+]1CCC(C)CC1 ZINC000512097664 564391846 /nfs/dbraw/zinc/39/18/46/564391846.db2.gz FQLAAUBPBCRFMQ-LLVKDONJSA-N 1 0 379.311 2.958 20 0 GFADRO O=S(=O)(NCCC[C@H]1CCC[NH2+]1)c1cc(Br)c(F)cc1F ZINC000567862515 564392583 /nfs/dbraw/zinc/39/25/83/564392583.db2.gz HDWULYBOWCODNB-SECBINFHSA-N 1 0 383.258 2.538 20 0 GFADRO C[N@H+](CCNC(=O)NC(C)(C)COc1ncc(Cl)cc1Cl)C1CC1 ZINC000544658279 564392614 /nfs/dbraw/zinc/39/26/14/564392614.db2.gz VDZGKNVWBQRSRN-UHFFFAOYSA-N 1 0 375.300 2.939 20 0 GFADRO CSc1ccc(S(=O)(=O)N2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)cc1Cl ZINC000567862511 564393007 /nfs/dbraw/zinc/39/30/07/564393007.db2.gz GTGQIERJONTPMI-ZBFHGGJFSA-N 1 0 390.958 2.579 20 0 GFADRO CC(C)[N@@H+]1CC[C@H](N(C)S(=O)(=O)Cc2ccc(Br)cc2)C1 ZINC000452105918 564393050 /nfs/dbraw/zinc/39/30/50/564393050.db2.gz PGUQJXYEANACDX-HNNXBMFYSA-N 1 0 375.332 2.693 20 0 GFADRO C[C@@H](CNCc1ncc(I)s1)[N@@H+]1CCC[C@@H](C)C1 ZINC000512148377 564393633 /nfs/dbraw/zinc/39/36/33/564393633.db2.gz NXZJETSJTHXQMI-MNOVXSKESA-N 1 0 379.311 2.958 20 0 GFADRO CC(=O)Nc1ccc(NC(=O)C[NH2+][C@@H]2CSC[C@H]2C)c(C(F)(F)F)c1 ZINC000512165564 564393871 /nfs/dbraw/zinc/39/38/71/564393871.db2.gz LPFASDXWPUXRCT-YMTOWFKASA-N 1 0 375.416 2.943 20 0 GFADRO CC(C)[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2ccc(F)cc2Br)C1 ZINC000452107535 564393979 /nfs/dbraw/zinc/39/39/79/564393979.db2.gz SXVWCSUHGLPQGR-GFCCVEGCSA-N 1 0 379.295 2.691 20 0 GFADRO Cc1cc(Br)cn2cc(CCNC(=O)N[C@H](C)CC[NH+](C)C)nc12 ZINC000544682888 564394280 /nfs/dbraw/zinc/39/42/80/564394280.db2.gz RXFDYJPTPZPPBO-CYBMUJFWSA-N 1 0 396.333 2.587 20 0 GFADRO CS[C@@H]1CN(C(=O)[C@H]2COc3ccc(Cl)cc3C2)C[C@@H]1[NH+]1CCCC1 ZINC000544687464 564394308 /nfs/dbraw/zinc/39/43/08/564394308.db2.gz XNAKUKRDGMGJLE-UWWQBHOKSA-N 1 0 380.941 2.929 20 0 GFADRO CC(C)[N@@H+]1CC[C@H](N(C)CC(=O)N(C)Cc2cc(Br)cs2)C1 ZINC000452125638 564395262 /nfs/dbraw/zinc/39/52/62/564395262.db2.gz YCTZFLFDRMAWNN-AWEZNQCLSA-N 1 0 388.375 2.884 20 0 GFADRO CCC[C@]1([NH2+]CC(=O)N(C)CCOc2ccc(Br)cc2)CCOC1 ZINC000512292646 564396879 /nfs/dbraw/zinc/39/68/79/564396879.db2.gz IKPTVEFVYZSZRW-SFHVURJKSA-N 1 0 399.329 2.835 20 0 GFADRO CN1C(=O)C[C@@H](C(=O)N2CCC[N@H+](C)CC2)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000478231229 564397558 /nfs/dbraw/zinc/39/75/58/564397558.db2.gz QHBFJKZRCBVSGC-CXAGYDPISA-N 1 0 384.307 2.677 20 0 GFADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@H]2CCc3cc(Br)ccc32)C1 ZINC000567945511 564397699 /nfs/dbraw/zinc/39/76/99/564397699.db2.gz VFSVHARHJPHUFE-AEFFLSMTSA-N 1 0 395.341 2.952 20 0 GFADRO CS[C@H]1CN(C(=O)COc2ccc(Cl)c3cccnc23)C[C@H]1[NH+](C)C ZINC000478490224 564404908 /nfs/dbraw/zinc/40/49/08/564404908.db2.gz XIYNGENSORFSCM-ZBFHGGJFSA-N 1 0 379.913 2.771 20 0 GFADRO Cc1nccn1CCNC(=O)c1cnc(Sc2nccn2C)c(Cl)c1 ZINC000512656822 564407571 /nfs/dbraw/zinc/40/75/71/564407571.db2.gz QOFDOKCIIMVGEI-UHFFFAOYSA-N 1 0 376.873 2.555 20 0 GFADRO C[C@@H](Cc1ccc(Br)cc1)C(=O)NC[C@@H]1CCC[N@@H+]1CCCO ZINC000452350092 564407825 /nfs/dbraw/zinc/40/78/25/564407825.db2.gz CBVOTEHQICAXLF-YOEHRIQHSA-N 1 0 383.330 2.591 20 0 GFADRO O=C(NC[C@@H]1CCC[N@H+]1CCCO)c1cc2c(cc(Br)cc2F)[nH]1 ZINC000452354610 564408260 /nfs/dbraw/zinc/40/82/60/564408260.db2.gz VTXGYEDHCJRSFS-LBPRGKRZSA-N 1 0 398.276 2.646 20 0 GFADRO CN(CCOc1ccc(Br)cc1)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000568233860 564409889 /nfs/dbraw/zinc/40/98/89/564409889.db2.gz KQZRLQAIACZKDR-SQWLQELKSA-N 1 0 396.329 2.857 20 0 GFADRO COCC[N@H+](C)CCNC(=O)N1CC=C(c2cccc(Br)c2)CC1 ZINC000545160414 564410257 /nfs/dbraw/zinc/41/02/57/564410257.db2.gz UCMZVJNUTIKTJD-UHFFFAOYSA-N 1 0 396.329 2.826 20 0 GFADRO Cc1ccc(CCC(=O)NC[C@H]2CCCC[N@@H+]2CCO)c(Br)c1 ZINC000452381191 564411333 /nfs/dbraw/zinc/41/13/33/564411333.db2.gz VIXVKVJZQJGXLP-MRXNPFEDSA-N 1 0 383.330 2.653 20 0 GFADRO O=C(N[C@@H]1CCC[N@@H+](CCCO)C1)c1cc2c(ccc(F)c2Br)[nH]1 ZINC000452385317 564411411 /nfs/dbraw/zinc/41/14/11/564411411.db2.gz JDIZHUVBOWIPGL-LLVKDONJSA-N 1 0 398.276 2.646 20 0 GFADRO Cc1cc(C(=O)N[C@H]2CCC[N@H+](CCCO)C2)cc(Cl)c1Br ZINC000452383828 564411718 /nfs/dbraw/zinc/41/17/18/564411718.db2.gz PFYNFKMGMGRUPF-ZDUSSCGKSA-N 1 0 389.721 2.988 20 0 GFADRO O=C(NC[C@H]1CCCC[N@H+]1CCO)c1cc2c(ccc(F)c2Br)[nH]1 ZINC000452381188 564411695 /nfs/dbraw/zinc/41/16/95/564411695.db2.gz VIXJEUYJXHHWGU-LLVKDONJSA-N 1 0 398.276 2.646 20 0 GFADRO O[C@@H](COc1cccc(Br)c1)C[N@@H+]1CC[C@@H](COC(F)F)C1 ZINC000512812322 564412378 /nfs/dbraw/zinc/41/23/78/564412378.db2.gz SCJWARLXHLIGQF-DGCLKSJQSA-N 1 0 380.229 2.750 20 0 GFADRO CS(=O)(=O)N[C@H]1CCCC[C@@H]1C[NH2+]Cc1cc(F)ccc1Br ZINC000512850812 564413695 /nfs/dbraw/zinc/41/36/95/564413695.db2.gz KZVQGGLISIGAQR-ABAIWWIYSA-N 1 0 393.322 2.786 20 0 GFADRO CS(=O)(=O)N[C@@H]1CCCC[C@@H]1C[NH2+]Cc1ccccc1Br ZINC000512869881 564414424 /nfs/dbraw/zinc/41/44/24/564414424.db2.gz YWDZDUVVQBLEMV-UKRRQHHQSA-N 1 0 375.332 2.647 20 0 GFADRO COC(=O)C[C@@H]1CC[C@@H]([NH2+]CC(=O)Nc2ccc(Br)cc2)[C@H]1C ZINC000478855150 564416018 /nfs/dbraw/zinc/41/60/18/564416018.db2.gz LVTCSQBMCVHTQX-SLEUVZQESA-N 1 0 383.286 2.955 20 0 GFADRO C[NH+](C)C[C@H]1CCCN1S(=O)(=O)Cc1cc(Cl)ccc1Br ZINC000568388678 564416235 /nfs/dbraw/zinc/41/62/35/564416235.db2.gz NOABXQZHZRRWNO-CYBMUJFWSA-N 1 0 395.750 2.958 20 0 GFADRO Fc1ccc(Cn2cc(C[NH2+]CCn3cc(Br)cn3)cn2)cc1 ZINC000512972804 564417133 /nfs/dbraw/zinc/41/71/33/564417133.db2.gz WXMXSXTVOAJRFU-UHFFFAOYSA-N 1 0 378.249 2.819 20 0 GFADRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(OC)c(O)cc2Br)[C@]12CCCO2 ZINC000545349870 564417596 /nfs/dbraw/zinc/41/75/96/564417596.db2.gz XJMRCZLHGNWDRB-BRWVUGGUSA-N 1 0 386.286 2.980 20 0 GFADRO FC(F)Oc1cc2c(cc1C[NH2+]CCn1cc(Br)cn1)OCO2 ZINC000513011892 564417823 /nfs/dbraw/zinc/41/78/23/564417823.db2.gz JRRZIFOBKGYQDX-UHFFFAOYSA-N 1 0 390.184 2.766 20 0 GFADRO Cc1cc(C[NH2+]C[C@@H]2CCCCN2S(C)(=O)=O)ccc1Br ZINC000513007322 564418015 /nfs/dbraw/zinc/41/80/15/564418015.db2.gz NCVKRUOQMLHGSU-AWEZNQCLSA-N 1 0 375.332 2.661 20 0 GFADRO CC[NH+](CC)CCSCC(=O)NCc1nc(C)c(Br)s1 ZINC000452813285 564433139 /nfs/dbraw/zinc/43/31/39/564433139.db2.gz KHFPIBSNLHVAQZ-UHFFFAOYSA-N 1 0 380.377 2.905 20 0 GFADRO CCc1nnc(CN[C@@](C)(CC(=O)OC)c2ccc(Br)cc2)[nH]1 ZINC000513121624 564420550 /nfs/dbraw/zinc/42/05/50/564420550.db2.gz GUXUQORGZVAJIC-INIZCTEOSA-N 1 0 381.274 2.698 20 0 GFADRO O=S1(=O)CC[C@H]2CN(CCOc3ccc(Cl)cc3Br)C[C@H]21 ZINC000513107580 564420673 /nfs/dbraw/zinc/42/06/73/564420673.db2.gz WNRNQNNDKNMRFG-IINYFYTJSA-N 1 0 394.718 2.600 20 0 GFADRO O[C@@H](C[NH2+]Cc1ccc(Br)cc1C(F)(F)F)Cn1cccn1 ZINC000568502023 564421285 /nfs/dbraw/zinc/42/12/85/564421285.db2.gz KUGBQXXZMWCLQV-LBPRGKRZSA-N 1 0 378.192 2.815 20 0 GFADRO Cc1cc(S(=O)(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)c(F)cc1Br ZINC000568510739 564421974 /nfs/dbraw/zinc/42/19/74/564421974.db2.gz DYLNFKOAMLUYKH-SMDDNHRTSA-N 1 0 391.306 2.563 20 0 GFADRO COc1ccc(Br)cc1CN(C)C(=O)C[N@H+](C)[C@H]1CCSC1 ZINC000479023762 564422555 /nfs/dbraw/zinc/42/25/55/564422555.db2.gz SKHPAXCXOFDOEE-AWEZNQCLSA-N 1 0 387.343 2.853 20 0 GFADRO COC(=O)C[C@@](C)([NH2+]CC(=O)N1CCCCC1)c1ccc(Br)cc1 ZINC000513165351 564422613 /nfs/dbraw/zinc/42/26/13/564422613.db2.gz IBDGTFFECBRXRI-GOSISDBHSA-N 1 0 397.313 2.830 20 0 GFADRO COc1cc(Br)cc(NC(=O)N2C[C@@H](SC)[C@H]([NH+](C)C)C2)c1 ZINC000545440430 564423602 /nfs/dbraw/zinc/42/36/02/564423602.db2.gz AXBKWRMZZWOKTN-ZIAGYGMSSA-N 1 0 388.331 2.967 20 0 GFADRO CN1C(=O)C[C@H](C(=O)NCCCC[NH+](C)C)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000479061093 564424227 /nfs/dbraw/zinc/42/42/27/564424227.db2.gz BUPZQAHVLLQHRW-SUMWQHHRSA-N 1 0 386.323 2.971 20 0 GFADRO O[C@@H](COc1cc(F)cc(Br)c1)C[N@@H+]1CC[C@@H](O)C12CCCC2 ZINC000568585788 564424828 /nfs/dbraw/zinc/42/48/28/564424828.db2.gz JURVIEKPZKPIKI-GDBMZVCRSA-N 1 0 388.277 2.707 20 0 GFADRO CN(C(=O)c1cccn1-c1ccc(I)cc1)[C@H]1CC[NH2+]C1 ZINC000568619002 564426972 /nfs/dbraw/zinc/42/69/72/564426972.db2.gz CMBCMJNYBUOYDM-AWEZNQCLSA-N 1 0 395.244 2.516 20 0 GFADRO CN(CCC[NH+]1CCCC1)C(=O)C(=O)NCCc1c(Cl)cccc1Cl ZINC000479146485 564427775 /nfs/dbraw/zinc/42/77/75/564427775.db2.gz PUEXEMKLBKJBLN-UHFFFAOYSA-N 1 0 386.323 2.596 20 0 GFADRO [NH3+]Cc1ccc(CNC(=O)N(CCO)Cc2cc(Br)cs2)cc1 ZINC000568627498 564427878 /nfs/dbraw/zinc/42/78/78/564427878.db2.gz BAXVNMMFSRUDTP-UHFFFAOYSA-N 1 0 398.326 2.673 20 0 GFADRO COC(=O)c1cn([C@H]2CC[N@H+](Cc3cnc(-c4ccsc4)s3)C2)nn1 ZINC000545557747 564428083 /nfs/dbraw/zinc/42/80/83/564428083.db2.gz ITPHBNFFGQFPOA-LBPRGKRZSA-N 1 0 375.479 2.697 20 0 GFADRO Cn1cc(Br)c(CNC(=O)C2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000452751401 564428748 /nfs/dbraw/zinc/42/87/48/564428748.db2.gz CQJZWRZMUYZIAZ-UHFFFAOYSA-N 1 0 391.313 2.711 20 0 GFADRO O=C(NC[C@@H]1CCCC[N@H+]1CCO)c1c(Cl)cc(F)cc1Br ZINC000452798621 564432258 /nfs/dbraw/zinc/43/22/58/564432258.db2.gz OYEXLBCNDMGTTN-NSHDSACASA-N 1 0 393.684 2.818 20 0 GFADRO C[C@]1(C[NH2+]C[C@@H](O)COc2ccc(Cl)cc2Br)CCOC1 ZINC000568741435 564432274 /nfs/dbraw/zinc/43/22/74/564432274.db2.gz UTCWZLZQVATNIR-IUODEOHRSA-N 1 0 378.694 2.858 20 0 GFADRO O=C(NCCCn1cc(Br)cn1)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000513577866 564433202 /nfs/dbraw/zinc/43/32/02/564433202.db2.gz BCPXHFPPHLJWPR-MRXNPFEDSA-N 1 0 398.349 2.696 20 0 GFADRO C[C@H](C[NH+]1CCOCC1)C(=O)N1CC[C@@H](c2cccc(Br)c2)C1 ZINC000452847571 564434261 /nfs/dbraw/zinc/43/42/61/564434261.db2.gz NKFPCMLIIGFVJZ-GDBMZVCRSA-N 1 0 381.314 2.733 20 0 GFADRO CC(C)NS(=O)(=O)CC[NH2+][C@H](c1cccc(OC(F)(F)F)c1)C1CC1 ZINC000513690834 564435584 /nfs/dbraw/zinc/43/55/84/564435584.db2.gz MYWXZYIBVMRJPQ-HNNXBMFYSA-N 1 0 380.432 2.954 20 0 GFADRO Nc1c(Br)cc(Br)cc1C[NH2+]C[C@H](CO)C1CC1 ZINC000568922371 564440549 /nfs/dbraw/zinc/44/05/49/564440549.db2.gz PRQOWHLUVVOUAX-SNVBAGLBSA-N 1 0 378.108 2.902 20 0 GFADRO O=C(CC[NH2+]C[C@H](CO)Cc1ccccc1Br)Nc1cccnc1 ZINC000568984101 564443303 /nfs/dbraw/zinc/44/33/03/564443303.db2.gz PJKKVKOKCLVTMD-CQSZACIVSA-N 1 0 392.297 2.614 20 0 GFADRO CC[NH+](CC)CCN(C(=O)c1cnccn1)c1ccc(Br)cn1 ZINC000568972309 564443502 /nfs/dbraw/zinc/44/35/02/564443502.db2.gz MBEUKHUJRXJNST-UHFFFAOYSA-N 1 0 378.274 2.623 20 0 GFADRO C[C@H]1COCC[N@H+](C[C@@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000513978661 564444066 /nfs/dbraw/zinc/44/40/66/564444066.db2.gz QDGFMHZOJYDZGA-DGCLKSJQSA-N 1 0 378.694 2.811 20 0 GFADRO CS(=O)(=O)CC1CCC([NH2+][C@@H]2CCN(c3ccccc3Cl)C2=O)CC1 ZINC000569012779 564445414 /nfs/dbraw/zinc/44/54/14/564445414.db2.gz IGZRGSLMCDVTMO-ZBCRRDGASA-N 1 0 384.929 2.638 20 0 GFADRO COC1([C@H](C)[NH2+]C[C@H](O)COc2cccc(Cl)c2Cl)CCOCC1 ZINC000453073167 564445584 /nfs/dbraw/zinc/44/55/84/564445584.db2.gz QIPJZOLDRPLKLJ-STQMWFEESA-N 1 0 378.296 2.907 20 0 GFADRO CCC[N@@H+]1CCC[C@H]1C(=O)NCc1cn2cc(Br)cc(C)c2n1 ZINC000546113849 564445773 /nfs/dbraw/zinc/44/57/73/564445773.db2.gz FTDRNVXQPMRIGC-HNNXBMFYSA-N 1 0 379.302 2.896 20 0 GFADRO COCCN1CC[C@@H]([NH2+][C@H](C)c2ccc(F)c(I)c2)C1 ZINC000453109476 564447132 /nfs/dbraw/zinc/44/71/32/564447132.db2.gz MUFVWFISKMUZOG-DGCLKSJQSA-N 1 0 392.256 2.802 20 0 GFADRO Cc1cc(Br)ccc1C(=O)N1CCC([NH2+]CCn2cccn2)CC1 ZINC000546167899 564447528 /nfs/dbraw/zinc/44/75/28/564447528.db2.gz YGKYMGXJKKSOMB-UHFFFAOYSA-N 1 0 391.313 2.848 20 0 GFADRO CC(C)[C@H](Cn1cccn1)[NH2+]C[C@@H](O)COc1ccccc1Br ZINC000453151450 564448744 /nfs/dbraw/zinc/44/87/44/564448744.db2.gz UUBOIMDAFUXTGY-ZBFHGGJFSA-N 1 0 382.302 2.700 20 0 GFADRO C[C@@H]([NH2+]CC1(S(C)(=O)=O)CC1)c1ccc(F)c(I)c1 ZINC000453233959 564449860 /nfs/dbraw/zinc/44/98/60/564449860.db2.gz XZVHKZCEGVPEBR-SECBINFHSA-N 1 0 397.253 2.658 20 0 GFADRO COc1ncc(C[NH2+][C@@H](C)c2cc(S(N)(=O)=O)c(C)cc2C)cc1Cl ZINC000453287478 564451989 /nfs/dbraw/zinc/45/19/89/564451989.db2.gz IWHNEYZTUVZDJM-LBPRGKRZSA-N 1 0 383.901 2.859 20 0 GFADRO CC[C@@H](NC(=O)N1CCC[C@@H](n2cc(C[NH3+])nn2)C1)c1ccc(Cl)s1 ZINC000514663061 564452493 /nfs/dbraw/zinc/45/24/93/564452493.db2.gz ODZSWWVGCVXPHO-CHWSQXEVSA-N 1 0 382.921 2.950 20 0 GFADRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)N[C@H](CO)c1cccc(Br)c1 ZINC000514652234 564452675 /nfs/dbraw/zinc/45/26/75/564452675.db2.gz OZXUGXNXYRLJHN-CVEARBPZSA-N 1 0 398.345 2.902 20 0 GFADRO O=C(NC1CC1)N[C@@H]1CC[N@@H+](CC2=Cc3cc(Br)ccc3OC2)C1 ZINC000546268225 564452760 /nfs/dbraw/zinc/45/27/60/564452760.db2.gz PAYNEJAPTHNTFH-MRXNPFEDSA-N 1 0 392.297 2.761 20 0 GFADRO COc1ccc(Br)cc1C[C@@H](CO)C[NH2+][C@@H](C)c1cnn(C)c1 ZINC000453337243 564453968 /nfs/dbraw/zinc/45/39/68/564453968.db2.gz ATMGSJONVUPIIM-QWHCGFSZSA-N 1 0 382.302 2.693 20 0 GFADRO CC(C)[N@H+](C)CCNC(=O)c1ccc2cc(I)ccc2n1 ZINC000479921596 564454124 /nfs/dbraw/zinc/45/41/24/564454124.db2.gz DZBZYPZPCWWCMR-UHFFFAOYSA-N 1 0 397.260 2.909 20 0 GFADRO C[C@H](Cc1cnn(C)c1)[NH2+][C@@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000453357206 564455087 /nfs/dbraw/zinc/45/50/87/564455087.db2.gz RXAUZBSNQZJMPH-ZJUUUORDSA-N 1 0 391.324 2.656 20 0 GFADRO Cc1cc(Br)c(C[NH2+][C@@H]2CCCC[C@@H]2NS(C)(=O)=O)s1 ZINC000453571437 564458277 /nfs/dbraw/zinc/45/82/77/564458277.db2.gz MHDADKIYZYDNIN-NEPJUHHUSA-N 1 0 381.361 2.769 20 0 GFADRO Cc1ncc(Br)cc1NC(=O)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000453569001 564458579 /nfs/dbraw/zinc/45/85/79/564458579.db2.gz YRDVTYQWOJTJPF-UHFFFAOYSA-N 1 0 397.317 2.516 20 0 GFADRO CC[NH+](CC)CCCNC(=O)C(=O)Nc1c(C)ccc(F)c1Br ZINC000453566967 564458651 /nfs/dbraw/zinc/45/86/51/564458651.db2.gz TYDLSRWSHADWAA-UHFFFAOYSA-N 1 0 388.281 2.683 20 0 GFADRO CCOc1c(Br)cc(Cl)cc1NC(=O)[C@H]([NH3+])CCC(=O)OC ZINC000569342159 564460017 /nfs/dbraw/zinc/46/00/17/564460017.db2.gz WDLPGQURSDZEQE-SNVBAGLBSA-N 1 0 393.665 2.720 20 0 GFADRO Cc1cc(F)c(NC(=O)NCC2CC[NH2+]CC2)c(I)c1 ZINC000514846707 564460130 /nfs/dbraw/zinc/46/01/30/564460130.db2.gz IYIMJKCPLCSQNL-UHFFFAOYSA-N 1 0 391.228 2.860 20 0 GFADRO C[NH+](C)CCn1ccc(C(=O)NCC(C)(C)c2ccc(Br)cc2)n1 ZINC000514871998 564460765 /nfs/dbraw/zinc/46/07/65/564460765.db2.gz WIRZMNOTHUGWBR-UHFFFAOYSA-N 1 0 393.329 2.915 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]C[C@H]1CC[C@@H](C)O1 ZINC000453636311 564460937 /nfs/dbraw/zinc/46/09/37/564460937.db2.gz WPOWTAHRCQNFCM-TYNCELHUSA-N 1 0 385.302 2.620 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]C[C@@H]1CC[C@H](C)O1 ZINC000453636307 564461377 /nfs/dbraw/zinc/46/13/77/564461377.db2.gz WPOWTAHRCQNFCM-HUBLWGQQSA-N 1 0 385.302 2.620 20 0 GFADRO O=C(NCc1cc(Br)cc2c1OCC2)NC1CC[NH+](C2CC2)CC1 ZINC000546615519 564462411 /nfs/dbraw/zinc/46/24/11/564462411.db2.gz BVLOUFQKKWPCFG-UHFFFAOYSA-N 1 0 394.313 2.810 20 0 GFADRO COc1ccc(CNC(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)cc1Br ZINC000514923875 564462745 /nfs/dbraw/zinc/46/27/45/564462745.db2.gz AYNCJESNHBYECH-DZGCQCFKSA-N 1 0 382.302 2.645 20 0 GFADRO COC(=O)CN(CCc1ccc(Cl)cc1Cl)C(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000514936574 564462947 /nfs/dbraw/zinc/46/29/47/564462947.db2.gz VXIKVYVGTHRSNX-JSGCOSHPSA-N 1 0 387.307 2.926 20 0 GFADRO [NH3+]C[C@H](NC(=O)NCc1cc(Br)cc2c1OCC2)C1CCCC1 ZINC000569459442 564464982 /nfs/dbraw/zinc/46/49/82/564464982.db2.gz LGTDKGXXZDSULU-HNNXBMFYSA-N 1 0 382.302 2.701 20 0 GFADRO Cc1ccc(F)c(Br)c1NC(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000514995263 564465983 /nfs/dbraw/zinc/46/59/83/564465983.db2.gz BYBCYQLPLYORQU-LBPRGKRZSA-N 1 0 398.276 2.532 20 0 GFADRO Cn1c(=O)c(C[N@H+](C)CCn2cc(Br)cn2)cc2ccccc21 ZINC000569499634 564466440 /nfs/dbraw/zinc/46/64/40/564466440.db2.gz FBLCVYYNUXMLMM-UHFFFAOYSA-N 1 0 375.270 2.630 20 0 GFADRO O[C@@H](C[NH2+]C[C@H]1CCCCN1C1CC1)COc1cccc(Br)c1 ZINC000515054868 564467465 /nfs/dbraw/zinc/46/74/65/564467465.db2.gz KCKCRJFQGWMVQL-SJORKVTESA-N 1 0 383.330 2.795 20 0 GFADRO Cn1cc(N2CCC[C@H]([NH2+]Cc3cn4ccc(Br)cc4n3)C2)cn1 ZINC000569533511 564467863 /nfs/dbraw/zinc/46/78/63/564467863.db2.gz KVUOPIFLUFTTCA-AWEZNQCLSA-N 1 0 389.301 2.589 20 0 GFADRO C[NH+](C)CCN(C1CCCCC1)S(=O)(=O)c1ccc(Br)o1 ZINC000546770509 564467926 /nfs/dbraw/zinc/46/79/26/564467926.db2.gz MCNAKUHMQXDOFI-UHFFFAOYSA-N 1 0 379.320 2.927 20 0 GFADRO CC(=O)Nc1ccc(S[C@H](C)C(=O)NC[C@]2([NH+](C)C)CCSC2)cc1 ZINC000480280352 564467891 /nfs/dbraw/zinc/46/78/91/564467891.db2.gz UDJRVEWATOGJTH-FZKQIMNGSA-N 1 0 381.567 2.679 20 0 GFADRO O=C(NC[C@@H]1C[NH2+]CCCO1)N1CCc2sccc2[C@@H]1c1cccs1 ZINC000569579182 564469981 /nfs/dbraw/zinc/46/99/81/564469981.db2.gz WDQHTECTSDFFNC-SUMWQHHRSA-N 1 0 377.535 2.845 20 0 GFADRO Cn1ncc2c1nc(N)nc2N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000569591265 564470749 /nfs/dbraw/zinc/47/07/49/564470749.db2.gz ZJAYKZRQONIIHQ-CYBMUJFWSA-N 1 0 379.251 2.830 20 0 GFADRO CN(C)CC[N@H+](C)CCCNC(=O)[C@H]1C[C@H]1c1cccc(Br)c1 ZINC000515169782 564471398 /nfs/dbraw/zinc/47/13/98/564471398.db2.gz YGXXLNWLBAIXBJ-IRXDYDNUSA-N 1 0 382.346 2.552 20 0 GFADRO C[C@@H]1CC[N@H+](CC(=O)NCC2(c3ccc(Br)cc3)CCOCC2)C1 ZINC000515179657 564471774 /nfs/dbraw/zinc/47/17/74/564471774.db2.gz MKBUWHRQUUJOOV-OAHLLOKOSA-N 1 0 395.341 2.955 20 0 GFADRO C[C@H](CNS(=O)(=O)c1cccc(Br)c1)[N@@H+]1CCCC[C@@H]1C ZINC000515217328 564472288 /nfs/dbraw/zinc/47/22/88/564472288.db2.gz HNVJJOVITTWPMQ-QWHCGFSZSA-N 1 0 375.332 2.990 20 0 GFADRO [NH3+][C@H]1CCCO[C@H]1C1CCN(C(=O)COc2ccccc2Br)CC1 ZINC000569712818 564475024 /nfs/dbraw/zinc/47/50/24/564475024.db2.gz NXFZUEQHEQYALL-YJBOKZPZSA-N 1 0 397.313 2.573 20 0 GFADRO COc1ccc(S(=O)(=O)NCC[N@@H+]2CCCC[C@@H]2C)c(Br)c1 ZINC000480471643 564475150 /nfs/dbraw/zinc/47/51/50/564475150.db2.gz POOKCRAZCJORRM-LBPRGKRZSA-N 1 0 391.331 2.610 20 0 GFADRO C[C@@H]([NH2+][C@@H]1CCCN(S(=O)(=O)N(C)C)C1)c1ccc(C(F)(F)F)cc1 ZINC000515343848 564475698 /nfs/dbraw/zinc/47/56/98/564475698.db2.gz FHDJNPCDTWQDLU-IUODEOHRSA-N 1 0 379.448 2.627 20 0 GFADRO C[C@H](Oc1cc(Cl)cc(Cl)c1)C(=O)NCCC[N@H+](C)CCN(C)C ZINC000515404374 564478414 /nfs/dbraw/zinc/47/84/14/564478414.db2.gz IJAZOSPQPFSWEE-ZDUSSCGKSA-N 1 0 376.328 2.760 20 0 GFADRO CC[NH+](CC)[C@H](C)CNS(=O)(=O)c1cc(Br)c(F)cc1F ZINC000480629763 564479986 /nfs/dbraw/zinc/47/99/86/564479986.db2.gz GCKOWHWVCUWUGM-SECBINFHSA-N 1 0 385.274 2.736 20 0 GFADRO O=C(NC[C@@H]1CCC[NH2+]1)Nc1ccnn1Cc1ccccc1Br ZINC000515518080 564481148 /nfs/dbraw/zinc/48/11/48/564481148.db2.gz ZIDNIHHBEFAQRX-ZDUSSCGKSA-N 1 0 378.274 2.567 20 0 GFADRO C[NH+](C)[C@H]1CN(C(=O)c2csc(-c3ccc(Cl)cc3Cl)n2)C[C@@H]1O ZINC000569888649 564482300 /nfs/dbraw/zinc/48/23/00/564482300.db2.gz KBEPZJSSUOXQRG-KBPBESRZSA-N 1 0 386.304 2.864 20 0 GFADRO CCc1ncc(S(=O)(=O)NCC2CC[NH+](Cc3cccs3)CC2)s1 ZINC000547304915 564483462 /nfs/dbraw/zinc/48/34/62/564483462.db2.gz PWGRDROOCDBACK-UHFFFAOYSA-N 1 0 385.580 2.958 20 0 GFADRO [NH3+][C@H]1CCCO[C@@H]1C1CCN(S(=O)(=O)Cc2cc(Cl)ccc2F)CC1 ZINC000515622794 564483719 /nfs/dbraw/zinc/48/37/19/564483719.db2.gz GDCHDADMGCPLBA-DLBZAZTESA-N 1 0 390.908 2.527 20 0 GFADRO Cc1nc(-c2ccccc2I)n(CC[C@@H]2CC[NH2+]C2)n1 ZINC000570079875 564490381 /nfs/dbraw/zinc/49/03/81/564490381.db2.gz UYFRZCNJIZMJLP-LBPRGKRZSA-N 1 0 382.249 2.858 20 0 GFADRO C[C@@H]1CN(Cc2nc(-c3ccc(Br)cc3)c[nH]2)[C@@H](C)C[N@@H+]1CCO ZINC000570147096 564493173 /nfs/dbraw/zinc/49/31/73/564493173.db2.gz LXJSLHHUPJMDDX-KGLIPLIRSA-N 1 0 393.329 2.726 20 0 GFADRO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)[C@H](C)C(=O)NCC(F)(F)F)C2)s1 ZINC000516186000 564496122 /nfs/dbraw/zinc/49/61/22/564496122.db2.gz UKMZCSCNKSGFPN-KGLIPLIRSA-N 1 0 377.476 2.877 20 0 GFADRO CC[NH+]1C[C@@H](C)N(C(=O)Cc2cc3c(cc2Br)OCCO3)[C@H](C)C1 ZINC000570244604 564498113 /nfs/dbraw/zinc/49/81/13/564498113.db2.gz QBYHCNRFNSULIO-CHWSQXEVSA-N 1 0 397.313 2.704 20 0 GFADRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2nc(-c3cccs3)cs2)C1 ZINC000454115705 564498520 /nfs/dbraw/zinc/49/85/20/564498520.db2.gz XLUIFQTZCVWHMD-GFCCVEGCSA-N 1 0 378.523 2.751 20 0 GFADRO COc1c(Cl)cc(NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C(C)C)C2)cc1Cl ZINC000454112589 564498765 /nfs/dbraw/zinc/49/87/65/564498765.db2.gz VXMCPQFRLGXNDF-LBPRGKRZSA-N 1 0 388.295 2.882 20 0 GFADRO Cn1cc2c(n1)CCC[C@@H]2[NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000516277420 564498791 /nfs/dbraw/zinc/49/87/91/564498791.db2.gz FCFAJIUVSFAWFC-CJNGLKHVSA-N 1 0 398.276 2.729 20 0 GFADRO O=S(=O)(Cc1ccc(Br)cc1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000481000736 564499667 /nfs/dbraw/zinc/49/96/67/564499667.db2.gz BYXZQBKGBMYVKG-INIZCTEOSA-N 1 0 387.343 2.839 20 0 GFADRO O=C([C@@H]1CCC[NH2+]C1)N(CCn1ccnc1)Cc1ccccc1Br ZINC000570396024 564503423 /nfs/dbraw/zinc/50/34/23/564503423.db2.gz UWVCKVQZYJKUEV-OAHLLOKOSA-N 1 0 391.313 2.674 20 0 GFADRO COc1nc(C)c(Br)cc1C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000547625030 564503986 /nfs/dbraw/zinc/50/39/86/564503986.db2.gz POGJCYKDJWXFOD-LBPRGKRZSA-N 1 0 382.302 2.908 20 0 GFADRO OCC1([NH2+]CC2CC2)CCN(Cc2cn3cc(Cl)cc(Cl)c3n2)CC1 ZINC000570401518 564504580 /nfs/dbraw/zinc/50/45/80/564504580.db2.gz VERQYANMADIQMW-UHFFFAOYSA-N 1 0 383.323 2.968 20 0 GFADRO C[NH+](C)[C@]1(CNC(=O)C2(c3ccc(Cl)cc3)CCOCC2)CCSC1 ZINC000481190313 564504720 /nfs/dbraw/zinc/50/47/20/564504720.db2.gz LGQJSLZGAMGQCK-SFHVURJKSA-N 1 0 382.957 2.942 20 0 GFADRO FC(F)[C@H]1C[NH2+]CCN1Cc1ccnc(-c2ccc(Br)cc2)n1 ZINC000570451051 564506254 /nfs/dbraw/zinc/50/62/54/564506254.db2.gz AMNISYWTOBKFED-CQSZACIVSA-N 1 0 383.240 2.945 20 0 GFADRO CN1CCN(c2cc[nH+]cc2NC(=O)c2ccc(Br)s2)CC1 ZINC000516623883 564507781 /nfs/dbraw/zinc/50/77/81/564507781.db2.gz XZNXCHNCRYIEGK-UHFFFAOYSA-N 1 0 381.299 2.910 20 0 GFADRO C[N@H+](CCC(=O)N[C@H](C(N)=O)c1cccc(Br)c1)C1CCCCC1 ZINC000547733279 564508724 /nfs/dbraw/zinc/50/87/24/564508724.db2.gz HSDKLTYPFJMHLH-KRWDZBQOSA-N 1 0 396.329 2.746 20 0 GFADRO C[C@@H]1OCC[C@H]1[N@H+](CCO)Cc1ccnc(-c2ccc(Br)cc2)n1 ZINC000570505638 564508790 /nfs/dbraw/zinc/50/87/90/564508790.db2.gz SRMGAWLDZUUKSM-SUMWQHHRSA-N 1 0 392.297 2.878 20 0 GFADRO O=C1[C@@H]([NH2+]C[C@H](O)COCc2cccs2)CCN1c1ccc(Cl)cc1 ZINC000570508799 564508843 /nfs/dbraw/zinc/50/88/43/564508843.db2.gz LPVDTCWPOFEOCP-RDJZCZTQSA-N 1 0 380.897 2.674 20 0 GFADRO C[C@@H]([NH3+])C[C@H](C)NC(=O)N1CCN(C(=O)c2cccc(Cl)c2Cl)CC1 ZINC000570512486 564509639 /nfs/dbraw/zinc/50/96/39/564509639.db2.gz JWTGAXOZIJCBRT-NEPJUHHUSA-N 1 0 387.311 2.587 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CCCN(S(=O)(=O)Cc2cc(Cl)ccc2Br)C1 ZINC000570514806 564509919 /nfs/dbraw/zinc/50/99/19/564509919.db2.gz WFNNXGQMHDHENY-GHMZBOCLSA-N 1 0 395.750 2.992 20 0 GFADRO C[C@H]1C[C@H](C)[NH+]1CC(=O)N1CCN(Cc2ccc(Br)s2)CC1 ZINC000547770838 564510537 /nfs/dbraw/zinc/51/05/37/564510537.db2.gz QDTRVULYRVAZSL-STQMWFEESA-N 1 0 386.359 2.638 20 0 GFADRO CC[NH+](CC)CCS(=O)(=O)NC[C@H]1CCN(c2cc(Cl)ccc2C)C1 ZINC000516896452 564515527 /nfs/dbraw/zinc/51/55/27/564515527.db2.gz JFQYRHWNTDPAGV-MRXNPFEDSA-N 1 0 387.977 2.736 20 0 GFADRO CCOCC[C@H](O)C[NH2+]Cc1ccc(I)c(Cl)c1 ZINC000516922117 564516895 /nfs/dbraw/zinc/51/68/95/564516895.db2.gz JIGQRQNRFLIYFS-NSHDSACASA-N 1 0 383.657 2.822 20 0 GFADRO C[N@@H+]1CCC[C@H](CNC(=O)c2ccccc2-n2cc(Br)cn2)C1 ZINC000570771185 564520255 /nfs/dbraw/zinc/52/02/55/564520255.db2.gz OVAGDKHKRYVHTP-CYBMUJFWSA-N 1 0 377.286 2.706 20 0 GFADRO CC[NH+](CC)CCN(CCOC)S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000517088360 564524164 /nfs/dbraw/zinc/52/41/64/564524164.db2.gz UOWGUGMLQOMRML-UHFFFAOYSA-N 1 0 383.341 2.972 20 0 GFADRO CC[C@H](Cc1ccccc1Br)[N@H+](C)CC(=O)NC(=O)NC1CC1 ZINC000481819639 564525177 /nfs/dbraw/zinc/52/51/77/564525177.db2.gz ALSLEYDNVGXHCY-CQSZACIVSA-N 1 0 382.302 2.690 20 0 GFADRO C[N@H+](Cc1cc(=O)n2cc(Br)ccc2n1)CC1(O)CCCCCC1 ZINC000547973548 564526024 /nfs/dbraw/zinc/52/60/24/564526024.db2.gz SMFLTBKEXIVXBG-UHFFFAOYSA-N 1 0 394.313 2.974 20 0 GFADRO O=S1(=O)C[C@@H](C[NH2+][C@H]2CSCCc3ccccc32)Oc2ccccc21 ZINC000570964683 564529614 /nfs/dbraw/zinc/52/96/14/564529614.db2.gz WYDXTKSRUDXRBO-WBVHZDCISA-N 1 0 375.515 2.842 20 0 GFADRO C[NH+](C)CCN(Cc1ccccn1)C(=O)Cc1ccc(Br)cc1O ZINC000548078535 564529883 /nfs/dbraw/zinc/52/98/83/564529883.db2.gz OQMVUMRPGACQOF-UHFFFAOYSA-N 1 0 392.297 2.683 20 0 GFADRO C[NH+](C)CCC1CCN(C(=O)CNC(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000548108328 564531269 /nfs/dbraw/zinc/53/12/69/564531269.db2.gz CKDUWLIGJFHKOW-UHFFFAOYSA-N 1 0 386.323 2.914 20 0 GFADRO C[C@@H]1C[NH+](CCC2CCN(c3ncncc3Br)CC2)C[C@@H](C)O1 ZINC000482000813 564531824 /nfs/dbraw/zinc/53/18/24/564531824.db2.gz QBEZBQWXCWQLMJ-ZIAGYGMSSA-N 1 0 383.334 2.955 20 0 GFADRO C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@H](CO)C1CCOCC1 ZINC000517546779 564536619 /nfs/dbraw/zinc/53/66/19/564536619.db2.gz CBASILRFWRUZFT-BLLLJJGKSA-N 1 0 385.302 2.543 20 0 GFADRO C[C@@H]1C[C@H](C)CN(S(=O)(=O)NCC2([NH+]3CCSCC3)CCCCC2)C1 ZINC000482160311 564536811 /nfs/dbraw/zinc/53/68/11/564536811.db2.gz STTWZYRTTGRKDN-CALCHBBNSA-N 1 0 389.631 2.550 20 0 GFADRO Cc1c(Br)cccc1CNC(=O)NCC1(O)CC[NH+](C(C)C)CC1 ZINC000517585173 564537405 /nfs/dbraw/zinc/53/74/05/564537405.db2.gz ZEGUBDMQQBWKDK-UHFFFAOYSA-N 1 0 398.345 2.792 20 0 GFADRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)N1CCC(n2cc(Br)cn2)CC1 ZINC000517596618 564537546 /nfs/dbraw/zinc/53/75/46/564537546.db2.gz WYXQDIPCYXCQSK-JKSUJKDBSA-N 1 0 396.333 2.619 20 0 GFADRO O=C(Nc1ccc(Cl)cc1OC(F)F)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000455139442 564538719 /nfs/dbraw/zinc/53/87/19/564538719.db2.gz JRFOHMBRDUVSDB-GFCCVEGCSA-N 1 0 377.819 2.910 20 0 GFADRO O=S(=O)(c1cccc(Br)c1Cl)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000571209378 564541043 /nfs/dbraw/zinc/54/10/43/564541043.db2.gz VUVLLUSFLVQSMC-CQSZACIVSA-N 1 0 393.734 2.867 20 0 GFADRO Cc1cc(NC(=O)C(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)cc(C)c1Br ZINC000571266037 564543980 /nfs/dbraw/zinc/54/39/80/564543980.db2.gz GMJULRBUMZVLTE-SFHVURJKSA-N 1 0 394.313 2.607 20 0 GFADRO Cc1nc(CNC(=O)N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)sc1Br ZINC000455236623 564544121 /nfs/dbraw/zinc/54/41/21/564544121.db2.gz SSKZKYMNMOCUIE-JQWIXIFHSA-N 1 0 387.347 2.982 20 0 GFADRO Cc1nc(CNC(=O)N2CC[C@H]([NH+]3CCCCC3)C2)sc1Br ZINC000455225934 564544198 /nfs/dbraw/zinc/54/41/98/564544198.db2.gz GQGUEPJBEUHOIA-LBPRGKRZSA-N 1 0 387.347 2.984 20 0 GFADRO Cc1cc(F)c(Br)cc1NC(=O)NC[C@@H]1CCCC[N@@H+]1CCO ZINC000455242377 564544523 /nfs/dbraw/zinc/54/45/23/564544523.db2.gz KVBUTVRGKZHZBM-LBPRGKRZSA-N 1 0 388.281 2.865 20 0 GFADRO CC[N@H+](CCNC(=O)c1ccn(-c2cccc(Br)c2)n1)C1CC1 ZINC000518037042 564545203 /nfs/dbraw/zinc/54/52/03/564545203.db2.gz RXOGECPSCFXINU-UHFFFAOYSA-N 1 0 377.286 2.849 20 0 GFADRO Cn1ncc2c1CCC[C@@H]2[NH2+]C[C@@H](O)COc1cccc(Br)c1 ZINC000571315107 564545677 /nfs/dbraw/zinc/54/56/77/564545677.db2.gz BJZYMPQSTYTYSF-CJNGLKHVSA-N 1 0 380.286 2.590 20 0 GFADRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)C(=O)Nc1cccc(Br)c1 ZINC000518103893 564546873 /nfs/dbraw/zinc/54/68/73/564546873.db2.gz LQATXEVRDYAUID-BETUJISGSA-N 1 0 382.302 2.767 20 0 GFADRO CC(C)[N@H+](CCOc1c(Br)cccc1Br)CC(N)=O ZINC000482629098 564547649 /nfs/dbraw/zinc/54/76/49/564547649.db2.gz KFENEMVLKWKCEI-UHFFFAOYSA-N 1 0 394.107 2.786 20 0 GFADRO CS[C@H]1CN(Cc2ccc(Cl)cc2-n2cncn2)C[C@H]1[NH+]1CCCC1 ZINC000482822136 564550678 /nfs/dbraw/zinc/55/06/78/564550678.db2.gz DTLRPKVIWDJKJK-MSOLQXFVSA-N 1 0 377.945 2.932 20 0 GFADRO CCn1cc(C[N@H+](CCO)CCOc2cc(F)cc(Br)c2)cn1 ZINC000482873546 564552919 /nfs/dbraw/zinc/55/29/19/564552919.db2.gz LPJACSQFACMGLP-UHFFFAOYSA-N 1 0 386.265 2.678 20 0 GFADRO O[C@@H](C[NH2+][C@H]1CSc2ccc(Br)cc21)COC1CCOCC1 ZINC000571515891 564554323 /nfs/dbraw/zinc/55/43/23/564554323.db2.gz DHDYULIQVFDKKF-WFASDCNBSA-N 1 0 388.327 2.742 20 0 GFADRO Cc1nc(-c2ccc(CNC(=O)c3ccn(CC[NH+](C)C)n3)s2)cs1 ZINC000571534808 564555703 /nfs/dbraw/zinc/55/57/03/564555703.db2.gz HSJPSYWTHXKGNC-UHFFFAOYSA-N 1 0 375.523 2.868 20 0 GFADRO CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+]C[C@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000571552189 564556063 /nfs/dbraw/zinc/55/60/63/564556063.db2.gz QDBOMILBRTVKQK-RWMBFGLXSA-N 1 0 396.336 2.679 20 0 GFADRO COc1ccc(Br)c(CS(=O)(=O)N[C@H](C)C[N@H+](C)C(C)C)c1 ZINC000571544135 564556313 /nfs/dbraw/zinc/55/63/13/564556313.db2.gz HHMLGITYGUNFCK-GFCCVEGCSA-N 1 0 393.347 2.606 20 0 GFADRO O=C(Nc1ccc(I)cc1F)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000571539615 564556415 /nfs/dbraw/zinc/55/64/15/564556415.db2.gz ZZDGXODTTCFNBT-BXKDBHETSA-N 1 0 389.212 2.646 20 0 GFADRO COC(=O)CNC(=O)CC[NH2+][C@](C)(CC(C)C)c1cccc(Br)c1 ZINC000483048131 564556954 /nfs/dbraw/zinc/55/69/54/564556954.db2.gz MQTJBFGLDQVANR-GOSISDBHSA-N 1 0 399.329 2.979 20 0 GFADRO CC(C)[NH2+]C1(CO)CCN(CC[S@](=O)c2cc(Cl)ccc2Cl)CC1 ZINC000518560178 564557177 /nfs/dbraw/zinc/55/71/77/564557177.db2.gz SRUTYHYPZAJJTI-DEOSSOPVSA-N 1 0 393.380 2.926 20 0 GFADRO CC(C)[N@H+](C)CCNC(=O)Nc1ccn(-c2ccc(Br)cc2)n1 ZINC000455610015 564559610 /nfs/dbraw/zinc/55/96/10/564559610.db2.gz DUXQTCYAYBUMEE-UHFFFAOYSA-N 1 0 380.290 3.097 20 0 GFADRO C[N@H+](CCCCNC(=O)N[C@H](CO)c1ccc(Br)cc1)C1CC1 ZINC000455621818 564560384 /nfs/dbraw/zinc/56/03/84/564560384.db2.gz UDTBVWNVHPCEIL-MRXNPFEDSA-N 1 0 384.318 2.656 20 0 GFADRO CSC1(CNC(=O)N[C@H](c2nccs2)C(F)(F)F)CC[NH+](C)CC1 ZINC000455634909 564561424 /nfs/dbraw/zinc/56/14/24/564561424.db2.gz IIKKECWQPWHNCQ-SNVBAGLBSA-N 1 0 382.477 2.873 20 0 GFADRO CC1(C)CN(Cc2cc(=O)n3cc(Br)ccc3n2)[C@@H]1[C@H]1CCCO1 ZINC000571725771 564563445 /nfs/dbraw/zinc/56/34/45/564563445.db2.gz VFVSYZDBLQUCJK-RHSMWYFYSA-N 1 0 392.297 2.846 20 0 GFADRO C[C@H](c1cccc(Br)c1)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000483384021 564566272 /nfs/dbraw/zinc/56/62/72/564566272.db2.gz RDTLATVTDKFPOV-OAHLLOKOSA-N 1 0 380.330 2.750 20 0 GFADRO O=S(=O)(CC[NH2+]C[C@H]1CCC[C@@H](CO)C1)c1cccc(Br)c1 ZINC000571800626 564567567 /nfs/dbraw/zinc/56/75/67/564567567.db2.gz GEZYCJPBOJAYDL-UONOGXRCSA-N 1 0 390.343 2.611 20 0 GFADRO CCn1c(C[NH2+][C@@H]2CCN(CCOC)C2)nc2cc(Br)ccc21 ZINC000483498029 564569464 /nfs/dbraw/zinc/56/94/64/564569464.db2.gz KRYSFKVGRJHTBS-CQSZACIVSA-N 1 0 381.318 2.629 20 0 GFADRO CC[NH+](CC)CCN(CCOC)C(=O)c1cc2sc(N(C)C)nc2s1 ZINC000519156484 564570954 /nfs/dbraw/zinc/57/09/54/564570954.db2.gz NNLRKZHEORKYOQ-UHFFFAOYSA-N 1 0 384.571 2.854 20 0 GFADRO C[C@@H](CNC(=O)[C@@H](C)N(C)CCn1cc(Br)cn1)c1ccccc1 ZINC000519223402 564572537 /nfs/dbraw/zinc/57/25/37/564572537.db2.gz DMQRIZVJLOOQRZ-LSDHHAIUSA-N 1 0 393.329 2.886 20 0 GFADRO CO[C@H]1C[C@@H](CN(C)S(=O)(=O)c2c(Cl)ccc3ccccc32)[N@H+](C)C1 ZINC000483758659 564573562 /nfs/dbraw/zinc/57/35/62/564573562.db2.gz HFUAXOCQCXMSTG-GJZGRUSLSA-N 1 0 382.913 2.833 20 0 GFADRO Cc1ncc(Br)cc1NC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000455843886 564574061 /nfs/dbraw/zinc/57/40/61/564574061.db2.gz UASMRGPNCFRUSE-AWEZNQCLSA-N 1 0 385.306 2.631 20 0 GFADRO C[C@H](CNC(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1)Oc1ccccc1Br ZINC000483791495 564574623 /nfs/dbraw/zinc/57/46/23/564574623.db2.gz SXWCEQHXDJWRIG-BFHYXJOUSA-N 1 0 384.318 2.998 20 0 GFADRO CN(C)c1ncc(C[NH2+]CCNc2ncc(C(F)(F)F)cc2Cl)n1C ZINC000519347505 564575055 /nfs/dbraw/zinc/57/50/55/564575055.db2.gz RWNHHUVBWGCJIY-UHFFFAOYSA-N 1 0 376.814 2.755 20 0 GFADRO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)c1ccc(Cl)c(NS(C)(=O)=O)c1 ZINC000519359460 564575840 /nfs/dbraw/zinc/57/58/40/564575840.db2.gz WZMASEIGLWLAHZ-STQMWFEESA-N 1 0 387.933 2.704 20 0 GFADRO O=S(=O)(CC[NH2+]CCCc1ccccn1)c1cccc(Br)c1 ZINC000571994252 564576224 /nfs/dbraw/zinc/57/62/24/564576224.db2.gz OCVIPCANICWHSY-UHFFFAOYSA-N 1 0 383.311 2.840 20 0 GFADRO CC[C@@H]1C[N@H+](C)CCCN1S(=O)(=O)c1cc(Br)cc(OC)c1 ZINC000519478686 564579141 /nfs/dbraw/zinc/57/91/41/564579141.db2.gz RTXOKIJVYFJQFY-CYBMUJFWSA-N 1 0 391.331 2.563 20 0 GFADRO COC(=O)[C@@H](c1ccc(Cl)c(Cl)c1)N1CCC[N@@H+]([C@H](C)CO)CC1 ZINC000484024522 564580845 /nfs/dbraw/zinc/58/08/45/564580845.db2.gz JDAGZFUWSLIPEG-MLGOLLRUSA-N 1 0 375.296 2.596 20 0 GFADRO O=C(NCc1ccsc1Br)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000548913714 564581100 /nfs/dbraw/zinc/58/11/00/564581100.db2.gz ZRPKMCSXHVBJRT-QGZVFWFLSA-N 1 0 395.322 2.764 20 0 GFADRO CCOc1cccc(CNc2cc(N3CCOCC3)c(Br)c[nH+]2)n1 ZINC000572106198 564581366 /nfs/dbraw/zinc/58/13/66/564581366.db2.gz LQOOUPGAAKVPHG-UHFFFAOYSA-N 1 0 393.285 3.087 20 0 GFADRO CC(C)[N@H+](CCOCCO)CC(=O)N(C)Cc1cc(Cl)cc(Cl)c1 ZINC000572138056 564582682 /nfs/dbraw/zinc/58/26/82/564582682.db2.gz CNOSEUCSRSFSCE-UHFFFAOYSA-N 1 0 377.312 2.671 20 0 GFADRO CN(C(=O)NCC[C@@H]1CCC[NH2+]C1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000519592921 564582645 /nfs/dbraw/zinc/58/26/45/564582645.db2.gz PEFZGPYXYLEPIE-GOPGUHFVSA-N 1 0 386.323 2.983 20 0 GFADRO C[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2cccc(Br)c2)CC[N@@H+]1CC(C)(C)O ZINC000456021263 564584654 /nfs/dbraw/zinc/58/46/54/564584654.db2.gz HTBHNODFOJSTSV-RRQGHBQHSA-N 1 0 395.341 2.856 20 0 GFADRO CCn1cc(Br)cc1C(=O)N1CCN(c2cc(C)ccn2)CC1 ZINC000484327589 564586550 /nfs/dbraw/zinc/58/65/50/564586550.db2.gz OMYHOCDGDCGUDN-UHFFFAOYSA-N 1 0 377.286 2.936 20 0 GFADRO CC(C)[C@](C)([NH2+]C[C@@H](O)CN1CCOCC1)c1ccc(Br)cc1 ZINC000484409340 564587404 /nfs/dbraw/zinc/58/74/04/564587404.db2.gz RSEVZDQXLRMMFB-MSOLQXFVSA-N 1 0 385.346 2.603 20 0 GFADRO C[C@@H]([NH2+]C[C@]1(CCO)CCOC1)c1ccccc1I ZINC000484498933 564589610 /nfs/dbraw/zinc/58/96/10/564589610.db2.gz AFLSUPQFYJKICW-DOMZBBRYSA-N 1 0 375.250 2.731 20 0 GFADRO CC[C@H]1C[N@H+](C)CCN1C(=O)Nc1ccc2nccnc2c1Br ZINC000572337269 564590497 /nfs/dbraw/zinc/59/04/97/564590497.db2.gz SKKWRLYFAGQCGF-NSHDSACASA-N 1 0 378.274 2.950 20 0 GFADRO C[C@H]1CN(S(=O)(=O)Cc2cc(Cl)ccc2Br)CC[C@H]1[NH3+] ZINC000572363317 564591456 /nfs/dbraw/zinc/59/14/56/564591456.db2.gz UWRSFVSALQDGHT-TVQRCGJNSA-N 1 0 381.723 2.601 20 0 GFADRO C[C@]([NH3+])(C(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)c1ccc(Br)cc1 ZINC000572365528 564591508 /nfs/dbraw/zinc/59/15/08/564591508.db2.gz WAYNGAKHMDGQQK-QSJFSLAZSA-N 1 0 379.298 2.697 20 0 GFADRO Fc1ccc(C[NH2+]CCOC[C@@H]2CCCO2)c(I)c1 ZINC000519812891 564592500 /nfs/dbraw/zinc/59/25/00/564592500.db2.gz NJACPRHKFZJXHP-ZDUSSCGKSA-N 1 0 379.213 2.716 20 0 GFADRO Cc1c(S(=O)(=O)NCCC[C@@H]2CCC[NH2+]2)cnn1-c1ccc(Cl)cc1 ZINC000519829828 564593252 /nfs/dbraw/zinc/59/32/52/564593252.db2.gz VCJWGEZUEYMUAG-HNNXBMFYSA-N 1 0 382.917 2.645 20 0 GFADRO CC(C)(CNC(=O)Nc1ccc(Cl)c(S(C)(=O)=O)c1)C[NH+]1CCCC1 ZINC000484651996 564593477 /nfs/dbraw/zinc/59/34/77/564593477.db2.gz KTORHIMUWHJQKE-UHFFFAOYSA-N 1 0 387.933 2.987 20 0 GFADRO CCc1csc(NC(=O)C(=O)N[C@H](C[NH+](C)C)c2ccc(Cl)cc2)n1 ZINC000549388035 564593816 /nfs/dbraw/zinc/59/38/16/564593816.db2.gz AMJCUUBFAXXQJY-CQSZACIVSA-N 1 0 380.901 2.717 20 0 GFADRO C[C@@H]1CN(C(=O)CCCc2ccccc2Br)C[C@H](C)[N@H+]1CCO ZINC000456206250 564595562 /nfs/dbraw/zinc/59/55/62/564595562.db2.gz DCMFPIOKQWHVJP-GASCZTMLSA-N 1 0 383.330 2.685 20 0 GFADRO [NH3+]C1CCC(OCC(=O)N2CCO[C@@H](c3ccc(Br)cc3)C2)CC1 ZINC000572479265 564595914 /nfs/dbraw/zinc/59/59/14/564595914.db2.gz OZFGZSUHYQTOTF-OFLPRAFFSA-N 1 0 397.313 2.636 20 0 GFADRO C[C@@H]1C[C@@H](C(=O)Nc2cc(Br)ccc2N2CC[N@H+](C)C[C@H]2C)CO1 ZINC000456354934 564601332 /nfs/dbraw/zinc/60/13/32/564601332.db2.gz BPXRJCOZKZVPFX-MGPQQGTHSA-N 1 0 396.329 2.953 20 0 GFADRO C[C@@H](NS(=O)(=O)c1cccc2nsnc21)[C@@H](c1ccccc1)[NH+](C)C ZINC000520328547 564601858 /nfs/dbraw/zinc/60/18/58/564601858.db2.gz GBELCEBEOIGTLE-PXAZEXFGSA-N 1 0 376.507 2.661 20 0 GFADRO O[C@H](CN1CCOCC1)C[NH+]1CCC(Cc2cc(Cl)ccc2Cl)CC1 ZINC000484927316 564602182 /nfs/dbraw/zinc/60/21/82/564602182.db2.gz PRJKUOUXVOFSOW-SFHVURJKSA-N 1 0 387.351 2.941 20 0 GFADRO OC[C@@H]([NH2+]C[C@H](O)Cc1ccc(F)cc1)c1ccc(Br)c(F)c1 ZINC000549717591 564602899 /nfs/dbraw/zinc/60/28/99/564602899.db2.gz CPKCVFQRJHNJPE-RHSMWYFYSA-N 1 0 386.236 2.954 20 0 GFADRO C[C@@H]1C[N@H+](C)CCN1c1ccc(Br)cc1NC(=O)c1c[nH]cn1 ZINC000456377167 564603538 /nfs/dbraw/zinc/60/35/38/564603538.db2.gz SWORWBMDNISKMJ-LLVKDONJSA-N 1 0 378.274 2.565 20 0 GFADRO O[C@H](C[NH2+][C@H]1CCO[C@H](C2CC2)C1)COc1cc(F)cc(Br)c1 ZINC000572632726 564603648 /nfs/dbraw/zinc/60/36/48/564603648.db2.gz PCTXZNHTDQDLSP-UXLLHSPISA-N 1 0 388.277 2.875 20 0 GFADRO C[NH+](C)Cc1ccc(CNC(=O)Cc2cc[nH]c(=O)c2Br)cc1F ZINC000520497424 564605277 /nfs/dbraw/zinc/60/52/77/564605277.db2.gz TYBQSKXBECWWBV-UHFFFAOYSA-N 1 0 396.260 2.609 20 0 GFADRO CC[C@H]1C[N@H+](CC)CCN1C(=O)[C@@H]1CC(=O)Nc2ccc(Br)cc21 ZINC000456393300 564605407 /nfs/dbraw/zinc/60/54/07/564605407.db2.gz XVBFXIMCNCNZSZ-DZGCQCFKSA-N 1 0 394.313 2.818 20 0 GFADRO C[N@@H+]1CCC[C@@]2(CCN(S(=O)(=O)c3ccc(OC(F)F)c(F)c3)C2)C1 ZINC000549903629 564608086 /nfs/dbraw/zinc/60/80/86/564608086.db2.gz RXWILKIZMITBQI-MRXNPFEDSA-N 1 0 378.416 2.534 20 0 GFADRO O=C(NCc1ccc(Cl)cc1Cl)C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000520619336 564609296 /nfs/dbraw/zinc/60/92/96/564609296.db2.gz UDWBISSNKYEOEH-HNNXBMFYSA-N 1 0 384.307 2.743 20 0 GFADRO CCC[N@H+](CC)C[C@H](C)NS(=O)(=O)c1ccc(OC)c(Br)c1 ZINC000572767665 564609457 /nfs/dbraw/zinc/60/94/57/564609457.db2.gz SCSPKMAHBFXZSB-LBPRGKRZSA-N 1 0 393.347 2.856 20 0 GFADRO CCCN(CC(=O)Nc1ccc(Cl)cc1Cl)C[C@H](O)C[N@H+](C)CC ZINC000572821967 564611540 /nfs/dbraw/zinc/61/15/40/564611540.db2.gz SJHUBGRTEXUREG-CQSZACIVSA-N 1 0 376.328 2.957 20 0 GFADRO COc1cc(OC)c(S(=O)(=O)N2CCCC[C@H]2[C@@H]2CCC[NH2+]2)cc1Cl ZINC000572826823 564612190 /nfs/dbraw/zinc/61/21/90/564612190.db2.gz DGKLOQRAQYSZLT-KBPBESRZSA-N 1 0 388.917 2.652 20 0 GFADRO CC(C)COC[C@H](O)C[NH2+][C@@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000520799011 564613972 /nfs/dbraw/zinc/61/39/72/564613972.db2.gz DFSPEOLNODEQEP-UKRRQHHQSA-N 1 0 375.296 2.722 20 0 GFADRO CCOc1c(Br)cc(CN2CC[NH2+]C[C@@H]2C(F)F)cc1OC ZINC000573000735 564619277 /nfs/dbraw/zinc/61/92/77/564619277.db2.gz PSFLJOKOTVVHTD-GFCCVEGCSA-N 1 0 379.245 2.895 20 0 GFADRO COc1cc(C(=O)N(C)[C@H]2CC[N@H+](C)C[C@@H]2C)cc(Br)c1OC ZINC000550280025 564619084 /nfs/dbraw/zinc/61/90/84/564619084.db2.gz YCUCOZAFTZBZCV-FZMZJTMJSA-N 1 0 385.302 2.879 20 0 GFADRO CN(C)c1cc(Br)cc(C(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)c1 ZINC000550326531 564621015 /nfs/dbraw/zinc/62/10/15/564621015.db2.gz HIMIRORJQSHHTH-QGZVFWFLSA-N 1 0 398.345 2.698 20 0 GFADRO O=S(=O)(c1cccc(Br)c1F)N1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000521218742 564621686 /nfs/dbraw/zinc/62/16/86/564621686.db2.gz WIWOAXUKVFYSBE-CHWSQXEVSA-N 1 0 391.306 2.883 20 0 GFADRO O=C([C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)N1CCC2(CC[NH2+]2)CC1 ZINC000521226452 564622316 /nfs/dbraw/zinc/62/23/16/564622316.db2.gz VZSVMYDEPIFYPV-CYBMUJFWSA-N 1 0 382.291 2.701 20 0 GFADRO Cn1cc(C(=O)N2CCC(OCCC[NH3+])CC2)c(-c2ccc(Cl)s2)n1 ZINC000573089577 564622575 /nfs/dbraw/zinc/62/25/75/564622575.db2.gz OHHXWPXWZPRPPP-UHFFFAOYSA-N 1 0 382.917 2.772 20 0 GFADRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(=O)NCc2cccc(Cl)c2Cl)C1 ZINC000550424358 564623951 /nfs/dbraw/zinc/62/39/51/564623951.db2.gz CXDAGBHLHPBFDY-CYBMUJFWSA-N 1 0 386.323 2.704 20 0 GFADRO CC(C)[C@@H]1CN([C@@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2=O)CC[N@@H+]1C ZINC000485729824 564624810 /nfs/dbraw/zinc/62/48/10/564624810.db2.gz HWAKJGLSQAJURI-CABCVRRESA-N 1 0 384.307 2.897 20 0 GFADRO C[C@H](NC(=O)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1)c1ncc(Br)cn1 ZINC000521362535 564625446 /nfs/dbraw/zinc/62/54/46/564625446.db2.gz HNTZOADRZPPKEY-GZBFAFLISA-N 1 0 396.333 2.864 20 0 GFADRO CC[C@@H]([NH2+]CCC(=O)N(C)CC(=O)OC)c1cc(F)cc(Br)c1 ZINC000485829420 564627557 /nfs/dbraw/zinc/62/75/57/564627557.db2.gz KLVZRWUZWOHJGZ-CQSZACIVSA-N 1 0 389.265 2.650 20 0 GFADRO COc1ccc(Br)cc1C(=O)CCC(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000573235120 564629276 /nfs/dbraw/zinc/62/92/76/564629276.db2.gz KRRZLJAITLMWOD-UHFFFAOYSA-N 1 0 395.297 2.775 20 0 GFADRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(=O)NCc2c(Cl)cccc2Cl)C1 ZINC000550723086 564629648 /nfs/dbraw/zinc/62/96/48/564629648.db2.gz KPPGVHLIWWEYFN-CYBMUJFWSA-N 1 0 386.323 2.704 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NCc2cccc(Cl)c2Cl)C[C@@H]1C ZINC000550814788 564632620 /nfs/dbraw/zinc/63/26/20/564632620.db2.gz YQFVNBONJRPMDM-JSGCOSHPSA-N 1 0 386.323 2.941 20 0 GFADRO C[N@H+](CCNS(=O)(=O)Cc1ccc(Cl)cc1Br)C1CC1 ZINC000485942888 564632733 /nfs/dbraw/zinc/63/27/33/564632733.db2.gz XYFFYBJQUQEMAM-UHFFFAOYSA-N 1 0 381.723 2.616 20 0 GFADRO COCC[N@@H+]1CC[C@@H](NC(=O)CCCOc2ccc(Cl)cc2Cl)C1 ZINC000521676943 564634411 /nfs/dbraw/zinc/63/44/11/564634411.db2.gz JESOFBKKNDDFQR-CQSZACIVSA-N 1 0 375.296 2.989 20 0 GFADRO CC(C)[C@@H]1CN(c2ncc(Cn3cc(Br)cn3)s2)CC[N@@H+]1C ZINC000485997773 564634576 /nfs/dbraw/zinc/63/45/76/564634576.db2.gz CRDVCTSDYHROBM-AWEZNQCLSA-N 1 0 384.347 2.927 20 0 GFADRO CC(C)(C)[N@@H+]1CCCN(C(=O)NCCCn2cc(Br)cn2)CC1 ZINC000573398660 564635552 /nfs/dbraw/zinc/63/55/52/564635552.db2.gz IZWPIEMCIARPSN-UHFFFAOYSA-N 1 0 386.338 2.552 20 0 GFADRO O[C@H](C[NH2+]CC1CCN(CC(F)(F)F)CC1)COc1ccccc1Cl ZINC000573438392 564637515 /nfs/dbraw/zinc/63/75/15/564637515.db2.gz BAUAVJNXCDPCRZ-CQSZACIVSA-N 1 0 380.838 2.944 20 0 GFADRO CN(CC[NH+]1CCCC1)S(=O)(=O)c1cccc(Br)c1Cl ZINC000551146962 564639298 /nfs/dbraw/zinc/63/92/98/564639298.db2.gz KMJPRIFQVKSQRH-UHFFFAOYSA-N 1 0 381.723 2.819 20 0 GFADRO O=C([C@@H]1CC(=O)Nc2ccc(Br)cc21)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000521949492 564639734 /nfs/dbraw/zinc/63/97/34/564639734.db2.gz UCZUCNWHWVMGRA-UKRRQHHQSA-N 1 0 392.297 2.572 20 0 GFADRO C[C@@H](NC(=O)NC1CC[NH+](C(C)(C)C)CC1)c1ncc(Br)cn1 ZINC000521959942 564639914 /nfs/dbraw/zinc/63/99/14/564639914.db2.gz HEDIPYNCOAFPRK-LLVKDONJSA-N 1 0 384.322 2.862 20 0 GFADRO C[C@@H](NC(=O)c1ccc(Br)cc1)C(=O)NC(C)(C)C[NH+]1CCCC1 ZINC000457032657 564644031 /nfs/dbraw/zinc/64/40/31/564644031.db2.gz NDPMIKZJZBGKIL-CYBMUJFWSA-N 1 0 396.329 2.558 20 0 GFADRO C[N@@H+]1CC[C@@H](C(=O)Nc2nnc(-c3cc(Br)ccc3F)s2)C1 ZINC000522138177 564645675 /nfs/dbraw/zinc/64/56/75/564645675.db2.gz KLRZCAUWCNQXGX-MRVPVSSYSA-N 1 0 385.262 2.997 20 0 GFADRO Cc1cc(Br)c(C[NH+]2CCC(c3nnc4n3CCNC4)CC2)s1 ZINC000573608520 564646411 /nfs/dbraw/zinc/64/64/11/564646411.db2.gz ULSOOTNWMGLNKD-UHFFFAOYSA-N 1 0 396.358 2.893 20 0 GFADRO C[C@@H](NC(=O)c1ccc(Br)cc1)C(=O)NCCCC[N@H+](C)C1CC1 ZINC000457166466 564650295 /nfs/dbraw/zinc/65/02/95/564650295.db2.gz BOSOVELAWRVNSS-CYBMUJFWSA-N 1 0 396.329 2.558 20 0 GFADRO C[NH+](C)CCN(CC(=O)OC(C)(C)C)C(=O)c1cc(Br)cs1 ZINC000522289295 564650290 /nfs/dbraw/zinc/65/02/90/564650290.db2.gz HCBKQKYKICNKOT-UHFFFAOYSA-N 1 0 391.331 2.856 20 0 GFADRO COCC[N@H+](C)CCCNC(=O)N[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000573761631 564652171 /nfs/dbraw/zinc/65/21/71/564652171.db2.gz CKXHTDQODMSIPW-JKSUJKDBSA-N 1 0 384.318 2.573 20 0 GFADRO C[NH+]1CCN(c2ccc(Br)cc2NC(=O)[C@H]2CCCOCC2)CC1 ZINC000486439116 564652705 /nfs/dbraw/zinc/65/27/05/564652705.db2.gz ZYOIODCTLXRYPP-AWEZNQCLSA-N 1 0 396.329 2.956 20 0 GFADRO C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)NC[C@H](O)C[NH+]1CCC(C)CC1 ZINC000522565182 564652736 /nfs/dbraw/zinc/65/27/36/564652736.db2.gz ZZZOJNDXMPYFCP-KBPBESRZSA-N 1 0 389.323 2.970 20 0 GFADRO C[N@@H+]1CCC[C@H](CCNC(=O)NCc2nc3c(cccc3Br)[nH]2)C1 ZINC000573804167 564654889 /nfs/dbraw/zinc/65/48/89/564654889.db2.gz OIHPQMTUMYTFEG-GFCCVEGCSA-N 1 0 394.317 2.857 20 0 GFADRO CC[C@@H]([NH2+]Cc1ccccc1CO)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000573895313 564658618 /nfs/dbraw/zinc/65/86/18/564658618.db2.gz OOYZAKAGODJDFI-QGZVFWFLSA-N 1 0 382.913 2.981 20 0 GFADRO C[C@@H]1[C@H]([NH3+])CCCN1C(=O)[C@@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1 ZINC000457358983 564658914 /nfs/dbraw/zinc/65/89/14/564658914.db2.gz PIMWLYZKOAFVCP-LYRGGWFBSA-N 1 0 384.307 2.936 20 0 GFADRO Cc1cc(Br)c(C(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)s1 ZINC000457393912 564659511 /nfs/dbraw/zinc/65/95/11/564659511.db2.gz RXEMLPUTTYYGMI-LBPRGKRZSA-N 1 0 375.332 2.906 20 0 GFADRO C[C@@H]([NH3+])CCC(=O)N(CCn1ccnc1)Cc1ccccc1Br ZINC000573918607 564659953 /nfs/dbraw/zinc/65/99/53/564659953.db2.gz UUTKAACNSFJDGR-CQSZACIVSA-N 1 0 379.302 2.802 20 0 GFADRO C[C@@H](NC(=O)NC[C@@H]1CCCC[N@@H+]1CCO)c1ccccc1Br ZINC000457458038 564662540 /nfs/dbraw/zinc/66/25/40/564662540.db2.gz LWMDUTICMUDCMK-KGLIPLIRSA-N 1 0 384.318 2.656 20 0 GFADRO COc1cc(Cl)c(S(=O)(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)cc1Cl ZINC000486684870 564663178 /nfs/dbraw/zinc/66/31/78/564663178.db2.gz OHNYQXMTQSSYKM-GWCFXTLKSA-N 1 0 379.309 2.717 20 0 GFADRO CCN1CC[C@H]([NH2+]Cc2cc(C(F)(F)F)cc(S(C)(=O)=O)c2)[C@@H](C)C1 ZINC000551781203 564663279 /nfs/dbraw/zinc/66/32/79/564663279.db2.gz QMLZOFVHQCYSMX-LRDDRELGSA-N 1 0 378.460 2.929 20 0 GFADRO C[NH+](C)CCn1c(=O)oc2ccc(NC(=O)c3cc(Br)co3)cc21 ZINC000457506046 564663734 /nfs/dbraw/zinc/66/37/34/564663734.db2.gz IKPGZEKVFPTRPI-UHFFFAOYSA-N 1 0 394.225 2.764 20 0 GFADRO CC[N@H+](CCNC(=O)c1cn(Cc2ccc(Cl)cc2Cl)nn1)C1CC1 ZINC000457532060 564664537 /nfs/dbraw/zinc/66/45/37/564664537.db2.gz RKIKHSURPLQEFE-UHFFFAOYSA-N 1 0 382.295 2.847 20 0 GFADRO Cc1cc(Br)c(C(=O)NC[C@@H](C(C)C)N2CC[NH+](C)CC2)s1 ZINC000457549647 564665416 /nfs/dbraw/zinc/66/54/16/564665416.db2.gz AEIIBHSGBIDKKO-AWEZNQCLSA-N 1 0 388.375 2.821 20 0 GFADRO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)NCc2n[nH]cc2Br)C1 ZINC000523384035 564665685 /nfs/dbraw/zinc/66/56/85/564665685.db2.gz IQNMKANPIMCUNA-RYUDHWBXSA-N 1 0 386.338 2.728 20 0 GFADRO O=C(NCc1n[nH]cc1Br)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000523385875 564665927 /nfs/dbraw/zinc/66/59/27/564665927.db2.gz AYRFOBGBCYGUBZ-AWEZNQCLSA-N 1 0 392.301 2.636 20 0 GFADRO CC(C)[N@@H+](C)C[C@H](C)NC(=O)Nc1cc(Br)cnc1-n1cccn1 ZINC000574066466 564667058 /nfs/dbraw/zinc/66/70/58/564667058.db2.gz HYUIKQPKCAZDKX-LBPRGKRZSA-N 1 0 395.305 2.880 20 0 GFADRO CN1CCC(CNC(=O)c2cc(Br)co2)([NH+]2CCCCC2)CC1 ZINC000457620801 564667303 /nfs/dbraw/zinc/66/73/03/564667303.db2.gz QATYOJPKSAYIMY-UHFFFAOYSA-N 1 0 384.318 2.722 20 0 GFADRO Cc1ccc(NC(=O)NCc2n[nH]cc2Br)c(OCC[NH+](C)C)c1 ZINC000523445296 564667476 /nfs/dbraw/zinc/66/74/76/564667476.db2.gz CXEJRNXQSBEJIS-UHFFFAOYSA-N 1 0 396.289 2.743 20 0 GFADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H](C)Cc1cccc(Br)c1 ZINC000523599770 564670249 /nfs/dbraw/zinc/67/02/49/564670249.db2.gz PBBYPOMGPRTKSV-WMLDXEAASA-N 1 0 398.345 2.790 20 0 GFADRO O=C(N[C@@H](CO)c1cccc(Br)c1)C1C[NH+](C2CCCCC2)C1 ZINC000457700355 564670382 /nfs/dbraw/zinc/67/03/82/564670382.db2.gz TVTCHXWJYIFONA-KRWDZBQOSA-N 1 0 381.314 2.863 20 0 GFADRO Cc1[nH]nc(C(=O)N(CC[NH+](C)C)Cc2ccc(Br)cc2)c1C ZINC000523744125 564672504 /nfs/dbraw/zinc/67/25/04/564672504.db2.gz LLFYINONJAZHEH-UHFFFAOYSA-N 1 0 379.302 2.993 20 0 GFADRO CC[NH+](CC)CC[C@@H](CO)NC(=O)[C@@H](C)Oc1ccc(Cl)c(Cl)c1 ZINC000552024010 564673252 /nfs/dbraw/zinc/67/32/52/564673252.db2.gz QBXIHQKIZXLVES-OLZOCXBDSA-N 1 0 377.312 2.970 20 0 GFADRO COc1cc(C)c(Br)cc1C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000552054197 564674310 /nfs/dbraw/zinc/67/43/10/564674310.db2.gz OBYNZJTZFISSMW-INIZCTEOSA-N 1 0 387.343 2.933 20 0 GFADRO Cc1cc(S(=O)(=O)N(C)CC[NH+]2CCCC2)c(C)cc1Br ZINC000523938060 564674898 /nfs/dbraw/zinc/67/48/98/564674898.db2.gz UTAZRAFUWKHLFF-UHFFFAOYSA-N 1 0 375.332 2.782 20 0 GFADRO Cc1oc(-c2ccc(Cl)c(Cl)c2)nc1C(=O)NCCN1CC[NH2+]CC1 ZINC000574517801 564677249 /nfs/dbraw/zinc/67/72/49/564677249.db2.gz BBLISLMTFAEYPV-UHFFFAOYSA-N 1 0 383.279 2.592 20 0 GFADRO CC[C@H]1CN(CC[NH2+]Cc2cnn(-c3ccc(Br)cc3)c2)CCO1 ZINC000487166869 564677867 /nfs/dbraw/zinc/67/78/67/564677867.db2.gz XXVJQHWQBPINHO-SFHVURJKSA-N 1 0 393.329 2.835 20 0 GFADRO O=C(NC[C@@]1(N2CCOCC2)CCSC1)N1Cc2ccc(Cl)cc2C1 ZINC000457925232 564679645 /nfs/dbraw/zinc/67/96/45/564679645.db2.gz CSCRLPGMMWEIRQ-SFHVURJKSA-N 1 0 381.929 2.573 20 0 GFADRO C[NH+](C)CC1(CNC(=O)c2cn3ccc(Br)cc3n2)CCCC1 ZINC000552163072 564680295 /nfs/dbraw/zinc/68/02/95/564680295.db2.gz UNOSEPGZEHHBBU-UHFFFAOYSA-N 1 0 379.302 2.949 20 0 GFADRO C[N@@H+]1CCC[C@H](CCNC(=O)NCc2cn3cc(Br)ccc3n2)C1 ZINC000457943587 564680434 /nfs/dbraw/zinc/68/04/34/564680434.db2.gz KGPIVIDKJVRTRI-CYBMUJFWSA-N 1 0 394.317 2.628 20 0 GFADRO COCC[N@H+](C)CC[C@H](NCc1c(Br)cnn1C)c1ccccc1 ZINC000487273315 564680670 /nfs/dbraw/zinc/68/06/70/564680670.db2.gz INWIVUGGDHMRER-KRWDZBQOSA-N 1 0 395.345 2.982 20 0 GFADRO O=C(c1ccc(C[NH2+]Cc2ccc(Br)cn2)cc1)N1CCOCC1 ZINC000524341379 564680911 /nfs/dbraw/zinc/68/09/11/564680911.db2.gz NRFCCYFSIOXNDZ-UHFFFAOYSA-N 1 0 390.281 2.606 20 0 GFADRO O=C(NC[C@@H](CO)Cc1cccc(Br)c1)c1ccc2c[nH+]cn2c1 ZINC000552201179 564681679 /nfs/dbraw/zinc/68/16/79/564681679.db2.gz CRFWTLRMLYGCHS-AWEZNQCLSA-N 1 0 388.265 2.678 20 0 GFADRO O=C(N[C@H]1CCc2cc(Br)ccc21)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000457960210 564681724 /nfs/dbraw/zinc/68/17/24/564681724.db2.gz XPSQUPWSLXRFRD-RDJZCZTQSA-N 1 0 396.329 2.582 20 0 GFADRO O=C(Nc1n[nH]cc1Br)c1ccc(C[NH+]2CCSCC2)cc1 ZINC000552287659 564684611 /nfs/dbraw/zinc/68/46/11/564684611.db2.gz YUQNVHGUPKKMIC-UHFFFAOYSA-N 1 0 381.299 2.973 20 0 GFADRO Cc1c(Br)cccc1CNC(=O)NCCCC[NH+]1CCOCC1 ZINC000574701134 564685332 /nfs/dbraw/zinc/68/53/32/564685332.db2.gz QYGOTKZJLPEKLF-UHFFFAOYSA-N 1 0 384.318 2.669 20 0 GFADRO Cc1[nH]c(=O)c(Br)cc1C(=O)NC[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000552363547 564687691 /nfs/dbraw/zinc/68/76/91/564687691.db2.gz WVWOHAXMTOBBRL-CYBMUJFWSA-N 1 0 384.318 2.956 20 0 GFADRO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCc1ccc(Cl)cc1I ZINC000487510528 564689577 /nfs/dbraw/zinc/68/95/77/564689577.db2.gz DKYKWMSRQVHFSE-SKDRFNHKSA-N 1 0 392.668 2.759 20 0 GFADRO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000575006257 564690985 /nfs/dbraw/zinc/69/09/85/564690985.db2.gz RWLZQFQLBBLPAS-UHFFFAOYSA-N 1 0 386.323 2.942 20 0 GFADRO C[NH+]1CCC(CC(=O)N(CCO)Cc2cc(Br)cs2)CC1 ZINC000487637631 564693117 /nfs/dbraw/zinc/69/31/17/564693117.db2.gz HRDMQKCVPNCSPE-UHFFFAOYSA-N 1 0 375.332 2.563 20 0 GFADRO C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1CCC[C@H]1c1cccc(Br)c1 ZINC000552501939 564693232 /nfs/dbraw/zinc/69/32/32/564693232.db2.gz LAIVZXGBXWHZBC-CJNGLKHVSA-N 1 0 396.329 2.569 20 0 GFADRO COC(=O)CCN(Cc1cccc(Br)c1)C(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC000487692565 564695159 /nfs/dbraw/zinc/69/51/59/564695159.db2.gz ILQSSYATBMJTSH-CJNGLKHVSA-N 1 0 397.313 2.539 20 0 GFADRO Cc1cc(NC(=O)c2cc(Cl)sc2S(N)(=O)=O)ccc1C[NH+](C)C ZINC000458258990 564695328 /nfs/dbraw/zinc/69/53/28/564695328.db2.gz GGVOUQNMCOHEHJ-UHFFFAOYSA-N 1 0 387.914 2.671 20 0 GFADRO O=C1c2ccccc2C(=O)N1C[C@@H](O)C[NH2+]Cc1ccc(Cl)cc1Cl ZINC000552560102 564695820 /nfs/dbraw/zinc/69/58/20/564695820.db2.gz HRXMOYRRUXHTRS-ZDUSSCGKSA-N 1 0 379.243 2.740 20 0 GFADRO C[C@H]1CC[N@H+](CCNC(=O)CSc2nnc(-c3ccc(Cl)cc3)o2)C1 ZINC000525292008 564698139 /nfs/dbraw/zinc/69/81/39/564698139.db2.gz PQSSBFSGKHYQNO-LBPRGKRZSA-N 1 0 380.901 2.940 20 0 GFADRO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N(CC)Cc1cccc(Br)c1 ZINC000552750217 564699688 /nfs/dbraw/zinc/69/96/88/564699688.db2.gz KPLRFABYWILYQJ-CQSZACIVSA-N 1 0 398.345 2.644 20 0 GFADRO Cc1cc(N2CC[C@@H]([NH2+][C@@H](C)Cc3cnccn3)C2=O)ccc1Br ZINC000575600750 564700045 /nfs/dbraw/zinc/70/00/45/564700045.db2.gz LXHHMQOSGMILEQ-SUMWQHHRSA-N 1 0 389.297 2.874 20 0 GFADRO CN(CC[N@H+](C)C1CC1)C(=O)C(=O)N[C@H]1CCSc2ccc(Cl)cc21 ZINC000552819810 564701881 /nfs/dbraw/zinc/70/18/81/564701881.db2.gz OUYKIKCPZRFTJQ-HNNXBMFYSA-N 1 0 381.929 2.546 20 0 GFADRO C[C@H](CC(=O)N(CCO)Cc1cc(Br)ccc1F)n1ccnc1 ZINC000575754401 564702966 /nfs/dbraw/zinc/70/29/66/564702966.db2.gz WROHWRQIBOWUDG-GFCCVEGCSA-N 1 0 384.249 2.757 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@@H](C)c1c(Cl)cccc1Cl ZINC000552861340 564703334 /nfs/dbraw/zinc/70/33/34/564703334.db2.gz SPMXRKBWZVUPCV-CHWSQXEVSA-N 1 0 386.323 2.814 20 0 GFADRO COCCSCCC[N@H+](C)[C@@H](C)c1ccc(N2CCCS2(=O)=O)cc1 ZINC000488083143 564703567 /nfs/dbraw/zinc/70/35/67/564703567.db2.gz OWIDRDZEWKJGTK-INIZCTEOSA-N 1 0 386.583 2.989 20 0 GFADRO O=C(CNC(=O)Cc1ccc(Cl)c(Cl)c1)NCC[NH+]1CCCCCC1 ZINC000576017148 564704829 /nfs/dbraw/zinc/70/48/29/564704829.db2.gz WFPBSSAXWAHSAH-UHFFFAOYSA-N 1 0 386.323 2.644 20 0 GFADRO C[C@@H]1CC[N@H+](CCNC(=O)c2cc(F)ccc2I)C1 ZINC000525805931 564709276 /nfs/dbraw/zinc/70/92/76/564709276.db2.gz WGJJZINHJAJYBH-SNVBAGLBSA-N 1 0 376.213 2.502 20 0 GFADRO COc1ccc(Br)c(CNC(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)c1 ZINC000488399652 564710776 /nfs/dbraw/zinc/71/07/76/564710776.db2.gz QRUTWTVQPRABPM-KRWDZBQOSA-N 1 0 382.302 2.695 20 0 GFADRO Cn1cc(-c2csc(NC(=O)C3CC[NH+]([C@H]4CCSC4)CC3)n2)cn1 ZINC000553143357 564711254 /nfs/dbraw/zinc/71/12/54/564711254.db2.gz HTTRCMVEGNWIRM-AWEZNQCLSA-N 1 0 377.539 2.700 20 0 GFADRO Nc1nc(-n2cccn2)cc(NCc2cc(F)c(F)cc2Br)[nH+]1 ZINC000576489150 564714770 /nfs/dbraw/zinc/71/47/70/564714770.db2.gz LCSBDKMYUGRZHF-UHFFFAOYSA-N 1 0 381.184 2.897 20 0 GFADRO Cn1ccnc1[C@@H](NC(=O)Cc1cccc(I)c1)C1CC1 ZINC000553284349 564714834 /nfs/dbraw/zinc/71/48/34/564714834.db2.gz SRRUSCIRNRVONG-HNNXBMFYSA-N 1 0 395.244 2.835 20 0 GFADRO CC(C)C[NH+]1CCN(C(=O)Cc2ccc(I)cc2)CC1 ZINC000488566172 564714898 /nfs/dbraw/zinc/71/48/98/564714898.db2.gz NXMVTUAMRGKFQY-UHFFFAOYSA-N 1 0 386.277 2.634 20 0 GFADRO C[C@H](NC(=O)N1CCC([NH+]2CCCC2)CC1)c1ncc(Br)cn1 ZINC000458832962 564719430 /nfs/dbraw/zinc/71/94/30/564719430.db2.gz INDBYVAPLYSDOC-LBPRGKRZSA-N 1 0 382.306 2.570 20 0 GFADRO CCC[C@H](C)[C@@H](CO)[NH2+]CC(=O)Nc1ccccc1I ZINC000576947051 564721767 /nfs/dbraw/zinc/72/17/67/564721767.db2.gz HRXLGWPFOFGPOH-SMDDNHRTSA-N 1 0 390.265 2.616 20 0 GFADRO O=C(CCOc1cccc(Cl)c1Cl)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000488851790 564722596 /nfs/dbraw/zinc/72/25/96/564722596.db2.gz IPUBJZAINYQCDW-AWEZNQCLSA-N 1 0 387.307 2.943 20 0 GFADRO C[N@H+]1CC=C(CNS(=O)(=O)c2cc(Br)cc3cccnc32)CC1 ZINC000553522378 564723909 /nfs/dbraw/zinc/72/39/09/564723909.db2.gz IGMAVOLTLFCSIE-UHFFFAOYSA-N 1 0 396.310 2.538 20 0 GFADRO Cc1nc(CNC(=O)N2CC[NH+](C3CCCC3)CC2)sc1Br ZINC000458929636 564724054 /nfs/dbraw/zinc/72/40/54/564724054.db2.gz ODUNHWVTZSDZAI-UHFFFAOYSA-N 1 0 387.347 2.984 20 0 GFADRO O=C(CC[C@H]1CC[NH2+]C1)NCc1noc(-c2cccc(Br)c2)n1 ZINC000577104040 564724496 /nfs/dbraw/zinc/72/44/96/564724496.db2.gz JNUHELZKVLIVRO-NSHDSACASA-N 1 0 379.258 2.505 20 0 GFADRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NS(=O)(=O)Cc1ccccc1Br ZINC000553543381 564726110 /nfs/dbraw/zinc/72/61/10/564726110.db2.gz WXOYNUYCMCTNEY-KBPBESRZSA-N 1 0 389.359 2.989 20 0 GFADRO O=C(NCC[NH2+][C@@H]1CCCc2cc(Br)ccc21)c1cnccn1 ZINC000527033583 564727502 /nfs/dbraw/zinc/72/75/02/564727502.db2.gz SQHDGZIRCVWTCF-OAHLLOKOSA-N 1 0 375.270 2.636 20 0 GFADRO CS(=O)(=O)N1CC[C@@H]([NH2+][C@@H]2CCCCc3ccc(Br)cc32)C1 ZINC000577184189 564727908 /nfs/dbraw/zinc/72/79/08/564727908.db2.gz LFMFOSPJHGCACS-GDBMZVCRSA-N 1 0 387.343 2.840 20 0 GFADRO CS(=O)(=O)N1CC[C@H]([NH2+][C@@H]2CCCCc3ccc(Br)cc32)C1 ZINC000577184191 564728320 /nfs/dbraw/zinc/72/83/20/564728320.db2.gz LFMFOSPJHGCACS-GOEBONIOSA-N 1 0 387.343 2.840 20 0 GFADRO C[C@H]([NH3+])C[C@H](C)NC(=O)N1CCN([C@@H](C)c2ccc(Br)cc2)CC1 ZINC000577175485 564728515 /nfs/dbraw/zinc/72/85/15/564728515.db2.gz AEKQMMFNVITMPK-KKUMJFAQSA-N 1 0 397.361 2.963 20 0 GFADRO C[C@H](CNC(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1)Oc1ccccc1Br ZINC000577208126 564728940 /nfs/dbraw/zinc/72/89/40/564728940.db2.gz JJKYTHLVAPCVHD-NFAWXSAZSA-N 1 0 382.302 2.610 20 0 GFADRO COCC1(CNC(=O)c2cc3cc(Br)ccc3[nH]2)CC[NH2+]CC1 ZINC000577228202 564730056 /nfs/dbraw/zinc/73/00/56/564730056.db2.gz GKIPYZAYHGURJX-UHFFFAOYSA-N 1 0 380.286 2.676 20 0 GFADRO CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]CC(=O)Nc3ccccc3Br)[C@@H]2C1 ZINC000577244640 564730606 /nfs/dbraw/zinc/73/06/06/564730606.db2.gz ZNQMFWQXYJVDRY-SQWLQELKSA-N 1 0 394.313 2.624 20 0 GFADRO COc1cc(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)cc(Br)c1OC ZINC000577234533 564730655 /nfs/dbraw/zinc/73/06/55/564730655.db2.gz NKHKKLPVZCKZRF-NSHDSACASA-N 1 0 383.286 2.680 20 0 GFADRO Cc1ccccc1[C@H](CO)[NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000527128617 564731584 /nfs/dbraw/zinc/73/15/84/564731584.db2.gz HGOBJUIDQCOLTJ-QAPCUYQASA-N 1 0 398.272 2.960 20 0 GFADRO O=C(NCCc1cscn1)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000527158656 564731703 /nfs/dbraw/zinc/73/17/03/564731703.db2.gz LOTSLAVLKBQUDN-UHFFFAOYSA-N 1 0 376.448 2.790 20 0 GFADRO CC(C)(C[NH+]1CCCC1)NC(=O)NCc1nc2c(cccc2Br)[nH]1 ZINC000459141793 564732690 /nfs/dbraw/zinc/73/26/90/564732690.db2.gz OOOHMVBOBAWFGA-UHFFFAOYSA-N 1 0 394.317 2.999 20 0 GFADRO Cc1cc(Br)cc(C)c1CNC(=O)N1CC[N@@H+](C[C@H](C)O)C[C@H]1C ZINC000489260260 564734039 /nfs/dbraw/zinc/73/40/39/564734039.db2.gz RZNKQGMVJMPFIM-CABCVRRESA-N 1 0 398.345 2.662 20 0 GFADRO Cc1cc(CNC(=O)N2CCC([N@H+](C)CCCO)CC2)ccc1Br ZINC000459183486 564734711 /nfs/dbraw/zinc/73/47/11/564734711.db2.gz QSYSVZDKGOVOEW-UHFFFAOYSA-N 1 0 398.345 2.746 20 0 GFADRO CC[N@H+](C)C[C@H]1CCN(C(=O)NCc2nc3c(cccc3Br)[nH]2)C1 ZINC000459220468 564736410 /nfs/dbraw/zinc/73/64/10/564736410.db2.gz SKLLBYCUZWMCNY-GFCCVEGCSA-N 1 0 394.317 2.809 20 0 GFADRO Cc1nccc(NC(=O)C2CC[NH+]([C@H]3CCSC3)CC2)c1Br ZINC000577598902 564737491 /nfs/dbraw/zinc/73/74/91/564737491.db2.gz QJLBBCIOAVNKCI-ZDUSSCGKSA-N 1 0 384.343 2.730 20 0 GFADRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NCc1nc2c(cccc2Br)[nH]1 ZINC000459225679 564737559 /nfs/dbraw/zinc/73/75/59/564737559.db2.gz XUIYMNIFLPMSDE-RISCZKNCSA-N 1 0 394.317 2.807 20 0 GFADRO CCN(CC[NH+]1CCCCCC1)C(=O)c1cc(Br)c(C)n(C)c1=O ZINC000553824921 564738472 /nfs/dbraw/zinc/73/84/72/564738472.db2.gz HQWLRFCALFOBGE-UHFFFAOYSA-N 1 0 398.345 2.794 20 0 GFADRO C[C@H]1CN(Cc2cccc(O)c2Br)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000459341908 564741388 /nfs/dbraw/zinc/74/13/88/564741388.db2.gz OUOCYEBCTWHNGN-HOCLYGCPSA-N 1 0 382.346 2.613 20 0 GFADRO Cn1cc(N2CC[C@@H]([NH2+]Cc3cc4cc(Br)ccc4o3)C2=O)cn1 ZINC000578144271 564741435 /nfs/dbraw/zinc/74/14/35/564741435.db2.gz NSPCCTJVKAXSMV-OAHLLOKOSA-N 1 0 389.253 2.824 20 0 GFADRO C[C@H](NS(=O)(=O)c1cccc(OC(F)(F)F)c1F)C(C)(C)C[NH+](C)C ZINC000489550423 564743743 /nfs/dbraw/zinc/74/37/43/564743743.db2.gz JVBCOPSDJJELNR-JTQLQIEISA-N 1 0 386.411 2.979 20 0 GFADRO C[C@@H]1NC(=O)N(CC[NH2+][C@@H](CC2CC2)c2cc(F)cc(Br)c2)C1=O ZINC000459425492 564744108 /nfs/dbraw/zinc/74/41/08/564744108.db2.gz KQLYPZMVHRBKJL-BONVTDFDSA-N 1 0 398.276 2.959 20 0 GFADRO C[C@@H](CO)[N@H+](C[C@@H](O)COc1cc(F)cc(Br)c1)C1CCCC1 ZINC000553918725 564745089 /nfs/dbraw/zinc/74/50/89/564745089.db2.gz ZZLODFHZGUIXHF-BLLLJJGKSA-N 1 0 390.293 2.953 20 0 GFADRO C[C@H](Cc1ccc(Br)cc1F)[NH2+]C[C@@H]1C[C@@H](c2nnc[nH]2)C[C@@H]1O ZINC000527569767 564747239 /nfs/dbraw/zinc/74/72/39/564747239.db2.gz YKCFNOWBBFLHJJ-KBNOKHGBSA-N 1 0 397.292 2.782 20 0 GFADRO C[C@H](NC(=O)N1CCO[C@@H](c2cccc(Br)c2)C1)[C@H]1CCC[NH2+]C1 ZINC000579333628 564747528 /nfs/dbraw/zinc/74/75/28/564747528.db2.gz RAESFRFFTZSPCB-JLJPHGGASA-N 1 0 396.329 2.920 20 0 GFADRO Cc1nc2ccc(S(=O)(=O)N(CC[NH3+])CCc3ccccc3)cc2s1 ZINC000579473170 564748291 /nfs/dbraw/zinc/74/82/91/564748291.db2.gz IZCUQODWVNFACA-UHFFFAOYSA-N 1 0 375.519 2.797 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NCc2ccc(Cl)cc2Cl)C[C@H]1C ZINC000579813260 564752024 /nfs/dbraw/zinc/75/20/24/564752024.db2.gz BUYJKJHQTISIBA-IUODEOHRSA-N 1 0 386.323 2.941 20 0 GFADRO CC(C)N1C[C@H]([NH2+]Cc2c[nH]nc2-c2ccc(Br)s2)CC1=O ZINC000527663582 564754440 /nfs/dbraw/zinc/75/44/40/564754440.db2.gz DZFTZSOQADCRAG-LLVKDONJSA-N 1 0 383.315 3.000 20 0 GFADRO Brc1ccccc1-c1cnc(CN2CCN([C@H]3CC[NH2+]C3)CC2)o1 ZINC000489855574 564755715 /nfs/dbraw/zinc/75/57/15/564755715.db2.gz FBGOAHPKGAMYMQ-AWEZNQCLSA-N 1 0 391.313 2.584 20 0 GFADRO OCCCN1CCC[C@H]1C[NH2+]Cc1c[nH]nc1-c1ccc(Br)s1 ZINC000527714483 564757279 /nfs/dbraw/zinc/75/72/79/564757279.db2.gz UYDLVYHENKOVNA-ZDUSSCGKSA-N 1 0 399.358 2.837 20 0 GFADRO Fc1cccc(C[NH2+]CC2(N3CCOCC3)CCOCC2)c1Br ZINC000459710388 564757725 /nfs/dbraw/zinc/75/77/25/564757725.db2.gz LSTHRGWWGKSBEA-UHFFFAOYSA-N 1 0 387.293 2.559 20 0 GFADRO CC(C)c1nn(-c2ccc(Br)cc2)cc1C[N@@H+]1C[C@@H](O)[C@H](CO)C1 ZINC000459715903 564758499 /nfs/dbraw/zinc/75/84/99/564758499.db2.gz VBHIZCXYPKIXQB-WMLDXEAASA-N 1 0 394.313 2.543 20 0 GFADRO C[C@H](CCc1ccc(I)cc1)[NH2+][C@@H](CO)c1ccnn1C ZINC000459725780 564758995 /nfs/dbraw/zinc/75/89/95/564758995.db2.gz XJUKZXUISYBNLD-DOMZBBRYSA-N 1 0 399.276 2.669 20 0 GFADRO COC(=O)c1ccc(C[NH2+]C[C@H](CO)Cc2cc(F)cc(Br)c2)[nH]1 ZINC000459712271 564759048 /nfs/dbraw/zinc/75/90/48/564759048.db2.gz WFHAPFOGOWXCGX-GFCCVEGCSA-N 1 0 399.260 2.644 20 0 GFADRO CC(C)[C@H](CO)C[NH2+]C[C@H](O)COc1ccc(Cl)cc1Br ZINC000580444950 564759073 /nfs/dbraw/zinc/75/90/73/564759073.db2.gz CGLWOXZFJOQJPE-AAEUAGOBSA-N 1 0 380.710 2.696 20 0 GFADRO C[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000580462979 564760247 /nfs/dbraw/zinc/76/02/47/564760247.db2.gz YBXUSIWLADMGLU-NEPJUHHUSA-N 1 0 386.323 2.640 20 0 GFADRO Cc1cc(F)c(Br)cc1S(=O)(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000490007583 564760397 /nfs/dbraw/zinc/76/03/97/564760397.db2.gz WMXJQTSTXNOGOS-HNNXBMFYSA-N 1 0 391.306 2.661 20 0 GFADRO COc1cc(Br)ccc1C[NH2+][C@]1(CO)COc2ccccc2C1 ZINC000527768838 564760590 /nfs/dbraw/zinc/76/05/90/564760590.db2.gz FKTRNEZRFYPIHB-GOSISDBHSA-N 1 0 378.266 2.914 20 0 GFADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)Nc1ccc(OC(F)(F)F)c(Cl)c1 ZINC000580548874 564763880 /nfs/dbraw/zinc/76/38/80/564763880.db2.gz PSNJVXWCVVAISS-LLVKDONJSA-N 1 0 380.798 2.606 20 0 GFADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@@]1(C)COc2ccccc2O1 ZINC000527928242 564765185 /nfs/dbraw/zinc/76/51/85/564765185.db2.gz IMBASVOTMJCHNC-ACJLOTCBSA-N 1 0 393.281 2.819 20 0 GFADRO COc1cc(Br)ccc1CNC(=O)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000490196071 564765716 /nfs/dbraw/zinc/76/57/16/564765716.db2.gz XTXDHWSRKRUNNE-KRWDZBQOSA-N 1 0 382.302 2.695 20 0 GFADRO COc1ccc(CN2CC[C@@H]2C[NH2+][C@@H](C)Cn2cc(Br)cn2)cc1 ZINC000527970267 564765985 /nfs/dbraw/zinc/76/59/85/564765985.db2.gz PECHQSPLAKPSRA-WMLDXEAASA-N 1 0 393.329 2.907 20 0 GFADRO C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)C(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000459957753 564766097 /nfs/dbraw/zinc/76/60/97/564766097.db2.gz GDJDHCXIMSXMEA-MQIPJXDCSA-N 1 0 384.307 2.675 20 0 GFADRO CC(C)O[C@@]1(C)C[C@H]1[NH2+][C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000528004905 564767105 /nfs/dbraw/zinc/76/71/05/564767105.db2.gz GTRLCWGBOHUXQL-VQISRLSMSA-N 1 0 391.331 2.703 20 0 GFADRO CC(C)[C@H]1C[NH2+]CCN1S(=O)(=O)c1cccc(Cl)c1Br ZINC000528049795 564768349 /nfs/dbraw/zinc/76/83/49/564768349.db2.gz UGPAEHBYVDGRBC-LLVKDONJSA-N 1 0 381.723 2.721 20 0 GFADRO CC[C@@H](CSC)N(C)C(=O)C(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000554743889 564771843 /nfs/dbraw/zinc/77/18/43/564771843.db2.gz SNJOUXTZGSXNCE-HOTGVXAUSA-N 1 0 385.961 2.659 20 0 GFADRO O=C(NCC[C@@H]1CC[NH2+]C1)Nc1ccnn1Cc1ccccc1Br ZINC000580761928 564772967 /nfs/dbraw/zinc/77/29/67/564772967.db2.gz BUKGKYONTBKADD-ZDUSSCGKSA-N 1 0 392.301 2.815 20 0 GFADRO O=S(=O)(NC[C@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1)C1CC1 ZINC000580798216 564773751 /nfs/dbraw/zinc/77/37/51/564773751.db2.gz XVGYEVXANXICJM-CQSZACIVSA-N 1 0 376.444 2.999 20 0 GFADRO COc1ccc(NC(=O)CN2C[C@@H](SC)[C@@H]([NH+]3CCCC3)C2)cc1Cl ZINC000460365933 564775049 /nfs/dbraw/zinc/77/50/49/564775049.db2.gz WUJHJCJONHBILH-DOTOQJQBSA-N 1 0 383.945 2.799 20 0 GFADRO O=C(NCc1ccc(O)c(Br)c1)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000528285307 564775194 /nfs/dbraw/zinc/77/51/94/564775194.db2.gz CHWRNPNHUAKHJC-AWEZNQCLSA-N 1 0 382.302 2.971 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)N2CCOc3ccc(Br)cc3C2)CC[N@@H+]1C ZINC000554901036 564776301 /nfs/dbraw/zinc/77/63/01/564776301.db2.gz JLSVPIXTQULIGZ-DOMZBBRYSA-N 1 0 382.302 2.836 20 0 GFADRO CCOC(=O)CC(C)(C)[N@H+](C)C[C@@H](O)COc1ccc(Br)cc1 ZINC000490650948 564779288 /nfs/dbraw/zinc/77/92/88/564779288.db2.gz OYVSDZHQSFRCEX-CQSZACIVSA-N 1 0 388.302 2.852 20 0 GFADRO CC(C)[C@H](O)C1(C[NH2+]Cc2cn(-c3ccccc3Br)nn2)CC1 ZINC000554970715 564779823 /nfs/dbraw/zinc/77/98/23/564779823.db2.gz DNMHDTHCTBZDHL-INIZCTEOSA-N 1 0 379.302 2.917 20 0 GFADRO Cc1c(Br)ccnc1NC(=O)N1CCN(Cc2cccnc2)CC1 ZINC000581000961 564783405 /nfs/dbraw/zinc/78/34/05/564783405.db2.gz NRNPSKVMXYRRGV-UHFFFAOYSA-N 1 0 390.285 2.897 20 0 GFADRO CN(C)CC[N@H+](C)CCCN(C)C(=O)COc1ccc(Cl)c(Cl)c1 ZINC000555105577 564783558 /nfs/dbraw/zinc/78/35/58/564783558.db2.gz DRDDWEQABBMYMG-UHFFFAOYSA-N 1 0 376.328 2.714 20 0 GFADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(Br)c(F)c1F ZINC000528430097 564783950 /nfs/dbraw/zinc/78/39/50/564783950.db2.gz VZYZAQBPTOZNSN-SNVBAGLBSA-N 1 0 377.229 2.568 20 0 GFADRO C[C@H](Nc1cnn(-c2ccccn2)c(=O)c1Br)C(C)(C)C[NH+](C)C ZINC000555164449 564785593 /nfs/dbraw/zinc/78/55/93/564785593.db2.gz WAFVBSJNPXOGDO-LBPRGKRZSA-N 1 0 394.317 2.778 20 0 GFADRO C[C@@H]1C[C@H](C[N@@H+]2CCCN(S(=O)(=O)c3ccc(Cl)s3)CC2)CCO1 ZINC000491115073 564787762 /nfs/dbraw/zinc/78/77/62/564787762.db2.gz XQINACXIKPKQGQ-ZIAGYGMSSA-N 1 0 392.974 2.913 20 0 GFADRO C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@@H](CCO)C1CCOCC1 ZINC000461100445 564789239 /nfs/dbraw/zinc/78/92/39/564789239.db2.gz XAJCAEWYDOJZNL-GUYCJALGSA-N 1 0 399.329 2.933 20 0 GFADRO CC(C)[NH+](CCNC(=O)C(=O)N1CCc2ccc(Br)cc21)C(C)C ZINC000491251400 564789452 /nfs/dbraw/zinc/78/94/52/564789452.db2.gz YRWGBMYFADQZIJ-UHFFFAOYSA-N 1 0 396.329 2.573 20 0 GFADRO O=S(=O)(CC[NH2+]CCc1cc(Cl)c2c(c1)OCCO2)c1ccccc1 ZINC000555337528 564791004 /nfs/dbraw/zinc/79/10/04/564791004.db2.gz ROWPGDWAOIRXGP-UHFFFAOYSA-N 1 0 381.881 2.717 20 0 GFADRO O=C(NC[C@@H]1CCCC[N@H+]1CCO)N[C@H]1COc2c1ccc(Cl)c2Cl ZINC000581236199 564793975 /nfs/dbraw/zinc/79/39/75/564793975.db2.gz NMJLTFYSGSLBQX-FZMZJTMJSA-N 1 0 388.295 2.573 20 0 GFADRO O=C(NC1CC[NH+](Cc2cccnc2)CC1)c1cc(O)cc(Br)c1 ZINC000528574359 564795671 /nfs/dbraw/zinc/79/56/71/564795671.db2.gz PVWFTURKQBNDLI-UHFFFAOYSA-N 1 0 390.281 2.944 20 0 GFADRO OCC[C@H]([NH2+]Cc1cnn(-c2ccc(Br)cc2)c1)C1CCOCC1 ZINC000461407991 564796192 /nfs/dbraw/zinc/79/61/92/564796192.db2.gz MYXGCVIVEKCSEK-SFHVURJKSA-N 1 0 394.313 2.902 20 0 GFADRO COC(=O)c1cc(S(=O)(=O)N(C)C(C)(C)C[NH+]2CCCCCC2)cs1 ZINC000492021613 564797380 /nfs/dbraw/zinc/79/73/80/564797380.db2.gz GGNPTRVBJAAAKQ-UHFFFAOYSA-N 1 0 388.555 2.810 20 0 GFADRO CC[C@H](C(=O)N1CCNC(=O)[C@@H]1c1ccccc1Br)[NH+](CC)CC ZINC000461479464 564798694 /nfs/dbraw/zinc/79/86/94/564798694.db2.gz LYVODUPJMLEXQI-CVEARBPZSA-N 1 0 396.329 2.569 20 0 GFADRO CO[C@H](c1ccccc1)[C@@H](C)[NH2+]CCNS(=O)(=O)c1cccc(Cl)c1 ZINC000492151701 564799697 /nfs/dbraw/zinc/79/96/97/564799697.db2.gz NDPABOPGBNLPHD-KDOFPFPSSA-N 1 0 382.913 2.984 20 0 GFADRO C[C@H]1CCC[C@]1(O)C[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000555635989 564800323 /nfs/dbraw/zinc/80/03/23/564800323.db2.gz UDYOZEIOBUJWFL-KSSFIOAISA-N 1 0 383.330 2.926 20 0 GFADRO [NH3+]CC1(NC(=O)Nc2cc(F)c(Br)c(Cl)c2)CCOCC1 ZINC000528693505 564800788 /nfs/dbraw/zinc/80/07/88/564800788.db2.gz SMRGKPQPJRIDCU-UHFFFAOYSA-N 1 0 380.645 2.871 20 0 GFADRO CC[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)c2cc(F)c(Cl)cc2Cl)CC1 ZINC000555694249 564802210 /nfs/dbraw/zinc/80/22/10/564802210.db2.gz RHLPDJUMNCJIAO-JTQLQIEISA-N 1 0 390.286 2.910 20 0 GFADRO C[C@@H](CNC(=O)C(=O)NCc1ccc(Cl)cc1Cl)[N@@H+]1CCC[C@@H](C)C1 ZINC000581442783 564802728 /nfs/dbraw/zinc/80/27/28/564802728.db2.gz WDBNPQNXJLVECC-OLZOCXBDSA-N 1 0 386.323 2.846 20 0 GFADRO C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[NH2+]CCS(=O)(=O)c1ccc(Br)cc1 ZINC000528749862 564802886 /nfs/dbraw/zinc/80/28/86/564802886.db2.gz FPRHLHPUAMBAAH-NWJSVONSSA-N 1 0 376.316 2.624 20 0 GFADRO C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1[NH2+]CCS(=O)(=O)c1ccc(Br)cc1 ZINC000528749870 564802913 /nfs/dbraw/zinc/80/29/13/564802913.db2.gz FPRHLHPUAMBAAH-ZAZJYDDPSA-N 1 0 376.316 2.624 20 0 GFADRO COC(=O)c1cc(Br)cc(C(=O)N2CC[NH+](CC(C)C)CC2)c1 ZINC000461765315 564803923 /nfs/dbraw/zinc/80/39/23/564803923.db2.gz XRFGESBPUNIJJI-UHFFFAOYSA-N 1 0 383.286 2.650 20 0 GFADRO CCCN1C[C@@H](C[NH2+]C[C@@H](O)COc2cc(Cl)ccc2Cl)CC1=O ZINC000581543698 564807079 /nfs/dbraw/zinc/80/70/79/564807079.db2.gz RHGIIJOIZXUVIZ-TZMCWYRMSA-N 1 0 375.296 2.581 20 0 GFADRO C[NH+]1CCC(CCO)(NC(=O)c2cc(Cl)cc(F)c2Br)CC1 ZINC000555928729 564808612 /nfs/dbraw/zinc/80/86/12/564808612.db2.gz RKPDVSSWMYAEOH-UHFFFAOYSA-N 1 0 393.684 2.818 20 0 GFADRO COC(=O)c1cc(Br)cc(C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)c1 ZINC000461929692 564809183 /nfs/dbraw/zinc/80/91/83/564809183.db2.gz XMKMNDRNZZKHOM-MRXNPFEDSA-N 1 0 395.297 2.936 20 0 GFADRO COc1ccc(OCC[N@H+](C)Cc2cc(Cl)cc(S(N)(=O)=O)c2)cc1 ZINC000581611159 564809944 /nfs/dbraw/zinc/80/99/44/564809944.db2.gz PRYRKFIDIMELBA-UHFFFAOYSA-N 1 0 384.885 2.507 20 0 GFADRO CSc1ccc([C@@H](CNC(=O)C(=O)Nc2cnc(C)s2)[NH+](C)C)cc1 ZINC000493624611 564809963 /nfs/dbraw/zinc/80/99/63/564809963.db2.gz YCQKSBZWNYAETQ-CQSZACIVSA-N 1 0 378.523 2.531 20 0 GFADRO CC1CC[NH+](CCNC(=O)C(=O)NCCc2c(Cl)cccc2Cl)CC1 ZINC000556070246 564811311 /nfs/dbraw/zinc/81/13/11/564811311.db2.gz ZTAFZIKAZXWMHN-UHFFFAOYSA-N 1 0 386.323 2.500 20 0 GFADRO COC(=O)c1cc(Br)cc(C(=O)NCCC2CC[NH+](C)CC2)c1 ZINC000462026934 564811606 /nfs/dbraw/zinc/81/16/06/564811606.db2.gz PNFRNEXZJNVGPB-UHFFFAOYSA-N 1 0 383.286 2.697 20 0 GFADRO C[C@@H]1CC[C@@H]([NH2+]CC(=O)Nc2ccc(Br)cc2)[C@H](n2cncn2)C1 ZINC000556061925 564811603 /nfs/dbraw/zinc/81/16/03/564811603.db2.gz FTMYJQNHSPLRAG-DAXOMENPSA-N 1 0 392.301 2.999 20 0 GFADRO CN(CCC[NH+]1CCCC1)S(=O)(=O)CCc1ccccc1Br ZINC000462055373 564813401 /nfs/dbraw/zinc/81/34/01/564813401.db2.gz DTBLLIGSZBPBQA-UHFFFAOYSA-N 1 0 389.359 2.739 20 0 GFADRO COc1cc(C[NH2+][C@H]2CCO[C@H](c3nccn3C)C2)c(Br)cc1O ZINC000556156254 564814132 /nfs/dbraw/zinc/81/41/32/564814132.db2.gz UDXRHDIWYHXHRV-LRDDRELGSA-N 1 0 396.285 2.907 20 0 GFADRO CCN(CCC[NH+](C)C)S(=O)(=O)CCc1ccccc1Br ZINC000462064573 564814378 /nfs/dbraw/zinc/81/43/78/564814378.db2.gz BRGWBMACMBCUBH-UHFFFAOYSA-N 1 0 377.348 2.595 20 0 GFADRO CN(C(=O)Cn1cc(Br)ccc1=O)C(C)(C)C[NH+]1CCCCCC1 ZINC000493960303 564814614 /nfs/dbraw/zinc/81/46/14/564814614.db2.gz LEXOPORAJYUVMO-UHFFFAOYSA-N 1 0 398.345 2.724 20 0 GFADRO OCC[N@@H+](Cc1cccc(F)c1)C[C@H](O)COc1ccc(Br)cc1 ZINC000494254742 564821268 /nfs/dbraw/zinc/82/12/68/564821268.db2.gz UQHLQCCJYRGGHL-KRWDZBQOSA-N 1 0 398.272 2.822 20 0 GFADRO CCc1nn(C)c(CC)c1C[NH2+]C[C@@H](O)COc1cccc(Br)c1 ZINC000581879475 564821746 /nfs/dbraw/zinc/82/17/46/564821746.db2.gz LRTITZSVYMODRB-CQSZACIVSA-N 1 0 396.329 2.837 20 0 GFADRO O=C(CC[N@@H+](CCO)Cc1cc(Br)cs1)NC1CCCC1 ZINC000494284592 564822110 /nfs/dbraw/zinc/82/21/10/564822110.db2.gz HBGHZIAFDIZCRP-UHFFFAOYSA-N 1 0 375.332 2.754 20 0 GFADRO CC[N@@H+]1CCCC[C@H]1CNS(=O)(=O)c1ccc(C)c(Br)c1 ZINC000462132628 564822147 /nfs/dbraw/zinc/82/21/47/564822147.db2.gz RCEVWRPEWLFUGY-ZDUSSCGKSA-N 1 0 375.332 2.910 20 0 GFADRO Cc1ncc2n1C[C@@H](C(=O)NCC(=O)Nc1cc(Cl)ccc1Cl)CC2 ZINC000581947791 564823762 /nfs/dbraw/zinc/82/37/62/564823762.db2.gz MEPPMGWAZVCDPZ-NSHDSACASA-N 1 0 381.263 2.816 20 0 GFADRO CC[C@@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1cc(Cl)cc(C(=O)OC)c1 ZINC000462150793 564823799 /nfs/dbraw/zinc/82/37/99/564823799.db2.gz MYBSGHFBSFYCAB-OAHLLOKOSA-N 1 0 388.917 2.669 20 0 GFADRO C[NH+]1CCC(Oc2ccc(CNC(=O)[C@@H]3C[C@@]3(C)Br)cc2)CC1 ZINC000529313434 564828956 /nfs/dbraw/zinc/82/89/56/564828956.db2.gz OYROJNZEMZQHFL-FUHWJXTLSA-N 1 0 381.314 2.949 20 0 GFADRO CC1(CNC(=O)c2cc(-c3ccc(Br)cc3)n[nH]2)CC[NH2+]CC1 ZINC000582061701 564829048 /nfs/dbraw/zinc/82/90/48/564829048.db2.gz NCXVFFFSBOMWCE-UHFFFAOYSA-N 1 0 377.286 2.959 20 0 GFADRO CCC[NH+]1CCC(CNS(=O)(=O)c2cc(Cl)cc(C(=O)OC)c2)CC1 ZINC000462258286 564829083 /nfs/dbraw/zinc/82/90/83/564829083.db2.gz BNLFCXDOFCMBRP-UHFFFAOYSA-N 1 0 388.917 2.527 20 0 GFADRO C[NH+]1CCC(Oc2ccc(CNC(=O)[C@H]3C[C@@]3(C)Br)cc2)CC1 ZINC000529313436 564829708 /nfs/dbraw/zinc/82/97/08/564829708.db2.gz OYROJNZEMZQHFL-SJLPKXTDSA-N 1 0 381.314 2.949 20 0 GFADRO Cc1cc(N2CCC[C@H]([N@@H+]3C[C@@H](O)C4(CC4)C3)C2=O)ccc1Br ZINC000494418935 564829782 /nfs/dbraw/zinc/82/97/82/564829782.db2.gz PXHJXGOCQRTMRC-JKSUJKDBSA-N 1 0 379.298 2.710 20 0 GFADRO O=C(N[C@H]1CC[NH2+]C12CCC2)N1CCc2c(F)ccc(Br)c2C1 ZINC000529348867 564830413 /nfs/dbraw/zinc/83/04/13/564830413.db2.gz FKVASJRLJBQERD-HNNXBMFYSA-N 1 0 382.277 2.941 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)NCc2cc(F)c(Br)cc2F)C1 ZINC000529369476 564831838 /nfs/dbraw/zinc/83/18/38/564831838.db2.gz HXPWGVVLBMKZDW-UWVGGRQHSA-N 1 0 376.245 2.996 20 0 GFADRO C[C@H]([NH3+])C1CCN(C(=O)NCc2cc(F)c(Br)cc2F)CC1 ZINC000529371182 564831912 /nfs/dbraw/zinc/83/19/12/564831912.db2.gz WWUIXPNCXVXKKF-VIFPVBQESA-N 1 0 376.245 2.996 20 0 GFADRO Cc1cc(Br)cc2c1[C@H]([NH2+][C@@H]1CCN(c3cnn(C)c3)C1=O)CC2 ZINC000494641133 564836040 /nfs/dbraw/zinc/83/60/40/564836040.db2.gz DNUBRPRXAPTBPA-HZPDHXFCSA-N 1 0 389.297 2.873 20 0 GFADRO Cc1ccsc1[C@@H](CO)[NH2+]CC(=O)Nc1ccnn1Cc1cccs1 ZINC000494652770 564836051 /nfs/dbraw/zinc/83/60/51/564836051.db2.gz SOSPPZUFWOSWHK-CQSZACIVSA-N 1 0 376.507 2.625 20 0 GFADRO Cc1cncn1CC(=O)Nc1cc(Br)ccc1N(C)CC[NH+](C)C ZINC000529508857 564838505 /nfs/dbraw/zinc/83/85/05/564838505.db2.gz VHWBGKNMBIKJPH-UHFFFAOYSA-N 1 0 394.317 2.591 20 0 GFADRO CN(C)S(=O)(=O)c1ccc(C[NH2+]C2(c3ccccc3)CCOCC2)s1 ZINC000582297727 564839937 /nfs/dbraw/zinc/83/99/37/564839937.db2.gz ZWHSHDKGCMIJPF-UHFFFAOYSA-N 1 0 380.535 2.794 20 0 GFADRO CCC[C@]1(CO)CC[N@H+](C[C@@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000582352548 564842407 /nfs/dbraw/zinc/84/24/07/564842407.db2.gz LQORGTJIUSSXDH-WBVHZDCISA-N 1 0 390.293 2.812 20 0 GFADRO CO[C@H]1CCN(C(=O)CCCOc2cccc(Br)c2)[C@H](C[NH3+])C1 ZINC000582355168 564842583 /nfs/dbraw/zinc/84/25/83/564842583.db2.gz YPNXBARQNBEHHN-GJZGRUSLSA-N 1 0 385.302 2.573 20 0 GFADRO O=C(c1cc(I)ccc1Cl)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000494873433 564843018 /nfs/dbraw/zinc/84/30/18/564843018.db2.gz KFJXWSWLGABCTI-NOZJJQNGSA-N 1 0 390.652 2.769 20 0 GFADRO [NH3+]C[C@H]1CN(S(=O)(=O)c2ccc(Cl)c(F)c2Cl)CC12CCOCC2 ZINC000582420531 564845525 /nfs/dbraw/zinc/84/55/25/564845525.db2.gz UYZYWVZTCIZCGL-JTQLQIEISA-N 1 0 397.299 2.509 20 0 GFADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@H](C)c1nc(C(F)(F)F)cs1 ZINC000495004615 564845639 /nfs/dbraw/zinc/84/56/39/564845639.db2.gz MQLRRODDRMQVIG-GHMZBOCLSA-N 1 0 380.436 2.633 20 0 GFADRO C[C@H](CCn1cccn1)[NH2+]CCNS(=O)(=O)c1cccc(Cl)c1Cl ZINC000556913612 564847029 /nfs/dbraw/zinc/84/70/29/564847029.db2.gz UXIXVOBWRFZOOO-GFCCVEGCSA-N 1 0 391.324 2.537 20 0 GFADRO C[C@H](c1ccc(Br)cc1)N1CCN(C[C@@H](O)C[N@H+](C)C2CC2)CC1 ZINC000582574529 564852852 /nfs/dbraw/zinc/85/28/52/564852852.db2.gz GYOUPWOAADCJLR-BEFAXECRSA-N 1 0 396.373 2.583 20 0 GFADRO COc1ccc(C[N@H+](C)C2(CCO)CCOCC2)c(Br)c1OC ZINC000495455705 564854833 /nfs/dbraw/zinc/85/48/33/564854833.db2.gz QTGDUDUCUMSMTE-UHFFFAOYSA-N 1 0 388.302 2.830 20 0 GFADRO CS[C@@H]1CN(C(=O)c2c(F)cc(Br)cc2F)C[C@@H]1[NH+](C)C ZINC000495696464 564855507 /nfs/dbraw/zinc/85/55/07/564855507.db2.gz LEPIKVMDUHENNE-NWDGAFQWSA-N 1 0 379.270 2.845 20 0 GFADRO CS[C@H]1CN(C(=O)Cc2cc(Br)ccc2F)C[C@H]1[NH+](C)C ZINC000495725640 564856521 /nfs/dbraw/zinc/85/65/21/564856521.db2.gz BOWMJZOJJONJGP-KGLIPLIRSA-N 1 0 375.307 2.635 20 0 GFADRO Cc1cc(Br)ccc1C(=O)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000495774790 564856787 /nfs/dbraw/zinc/85/67/87/564856787.db2.gz MXQUKDIVGZTKOD-UHFFFAOYSA-N 1 0 382.346 2.856 20 0 GFADRO CCCNC(=O)CCC[N@H+](CCO)Cc1cc(Br)ccc1F ZINC000582733432 564859984 /nfs/dbraw/zinc/85/99/84/564859984.db2.gz CHRFWZMQEHDBSD-UHFFFAOYSA-N 1 0 375.282 2.689 20 0 GFADRO CC[N@@H+]1CCCC[C@H]1CNc1ncnc2ccc(I)cc21 ZINC000462831598 564860024 /nfs/dbraw/zinc/86/00/24/564860024.db2.gz GDCNHWZZXCMWBE-ZDUSSCGKSA-N 1 0 396.276 3.521 20 0 GFADRO CC(=O)N1CCC(C(=O)N[C@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)CC1 ZINC000530031326 564860472 /nfs/dbraw/zinc/86/04/72/564860472.db2.gz GDDQBORFRBZZKV-QGZVFWFLSA-N 1 0 386.323 2.971 20 0 GFADRO Cc1cc(OC[C@@H](O)C[NH2+]C[C@H]2CCCS2(=O)=O)c(C(C)C)cc1Cl ZINC000582781062 564861704 /nfs/dbraw/zinc/86/17/04/564861704.db2.gz QZJGLSDOMOCNFJ-LSDHHAIUSA-N 1 0 389.945 2.678 20 0 GFADRO O=C(N[C@@H]1C[C@H]1C1CC[NH2+]CC1)c1cc(=O)[nH]c2c(Br)cccc12 ZINC000462885771 564862305 /nfs/dbraw/zinc/86/23/05/564862305.db2.gz UFFNPRVFIKONND-SWLSCSKDSA-N 1 0 390.281 2.821 20 0 GFADRO C[C@H](Cc1ccncc1)[NH2+]C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000582840568 564864252 /nfs/dbraw/zinc/86/42/52/564864252.db2.gz BLNQTIMFTXGTSH-WBMJQRKESA-N 1 0 383.261 2.944 20 0 GFADRO CC[N@H+](C)C[C@H](O)CSc1nnc(-c2cccs2)n1C[C@@H]1CCCO1 ZINC000582857270 564865266 /nfs/dbraw/zinc/86/52/66/564865266.db2.gz YVZWMRZOJHMQFS-KBPBESRZSA-N 1 0 382.555 2.590 20 0 GFADRO C[N@@H+]1CC[C@H]2CCN(C(=O)NCCOc3cccc(Br)c3)[C@@H]2C1 ZINC000497397753 564866564 /nfs/dbraw/zinc/86/65/64/564866564.db2.gz UBQQSQVZPSBKOD-XJKSGUPXSA-N 1 0 382.302 2.564 20 0 GFADRO CCN1CCN(C(=O)c2cnn(-c3ccc(Br)cc3)c2)[C@H](C)C1 ZINC000557525454 564866595 /nfs/dbraw/zinc/86/65/95/564866595.db2.gz GNUFUHQOVFTPPI-CYBMUJFWSA-N 1 0 377.286 2.801 20 0 GFADRO [NH3+]C1(CNC(=O)c2ccc(NC(=O)c3ccc(Br)o3)cc2)CCC1 ZINC000582902784 564867332 /nfs/dbraw/zinc/86/73/32/564867332.db2.gz OONDUBPKXURYDQ-UHFFFAOYSA-N 1 0 392.253 2.906 20 0 GFADRO C[C@H](CNC(=O)N1CC[C@H]2CC[N@H+](C)C[C@H]21)Oc1ccc(Br)cc1 ZINC000497491063 564869328 /nfs/dbraw/zinc/86/93/28/564869328.db2.gz FEXKPTMJZZULKF-CKEIUWERSA-N 1 0 396.329 2.952 20 0 GFADRO C[NH2+]C[C@@H]1CCCN(C(=O)c2scc(C)c2I)C1 ZINC000582962700 564869720 /nfs/dbraw/zinc/86/97/20/564869720.db2.gz GANPNJWGBKJAHY-JTQLQIEISA-N 1 0 378.279 2.733 20 0 GFADRO Cc1cc(N2CC[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C2=O)ccc1Br ZINC000463171599 564871597 /nfs/dbraw/zinc/87/15/97/564871597.db2.gz PTJJDOPDKTYSRT-CVEARBPZSA-N 1 0 396.329 2.565 20 0 GFADRO COC(=O)C[C@@](C)([NH2+]CCN1CCCOCC1)c1ccc(Br)cc1 ZINC000463196388 564871675 /nfs/dbraw/zinc/87/16/75/564871675.db2.gz CFBMHEFFAMJSQG-GOSISDBHSA-N 1 0 399.329 2.539 20 0 GFADRO Cc1cc(F)c(NC(=O)N[C@@H](C)C[C@H](C)[NH3+])c(I)c1 ZINC000583025366 564872973 /nfs/dbraw/zinc/87/29/73/564872973.db2.gz WKZOKTCWYBIEMA-IUCAKERBSA-N 1 0 379.217 2.986 20 0 GFADRO CC(C)[N@H+](CC(=O)N(C)Cc1cc(Br)cs1)[C@H]1CCOC1 ZINC000463238706 564873895 /nfs/dbraw/zinc/87/38/95/564873895.db2.gz QEUFZLZCLGXCRF-ZDUSSCGKSA-N 1 0 375.332 2.968 20 0 GFADRO CC(=O)N[C@@H](CC(=O)NCCC[N@@H+](C)C(C)C)c1ccc(Br)cc1 ZINC000497756163 564875524 /nfs/dbraw/zinc/87/55/24/564875524.db2.gz FFGBNPORBIJBKC-KRWDZBQOSA-N 1 0 398.345 2.863 20 0 GFADRO O=C(NCC[N@H+]1CC=CCC1)c1[nH]nc(-c2ccccc2)c1Br ZINC000530307075 564875967 /nfs/dbraw/zinc/87/59/67/564875967.db2.gz OPACQOISWJIRPP-UHFFFAOYSA-N 1 0 375.270 2.831 20 0 GFADRO CSC[C@@H](O)C[NH2+][C@H](C)c1ccc(Br)cc1OCCCO ZINC000463359346 564876490 /nfs/dbraw/zinc/87/64/90/564876490.db2.gz HIDPQPJSVIXLEM-YPMHNXCESA-N 1 0 378.332 2.585 20 0 GFADRO O=S(=O)(NCC[NH+]1CCCCC1)c1cc(Br)cc2cccnc21 ZINC000557795105 564877033 /nfs/dbraw/zinc/87/70/33/564877033.db2.gz FZNVDDRWVDXISV-UHFFFAOYSA-N 1 0 398.326 2.762 20 0 GFADRO C[C@@H]1CC[N@H+](C)CCN1C(=O)Nc1ccc(F)cc1I ZINC000497862890 564878131 /nfs/dbraw/zinc/87/81/31/564878131.db2.gz OFZXKOXBXJGZIH-SNVBAGLBSA-N 1 0 391.228 2.988 20 0 GFADRO O=S(=O)(NCC[NH2+][C@@H]1CCCC[C@@H]1[C@@H]1CCOC1)c1cccc(Cl)c1 ZINC000583178284 564879353 /nfs/dbraw/zinc/87/93/53/564879353.db2.gz HUVXTOIPKHYVMY-ZTFGCOKTSA-N 1 0 386.945 2.803 20 0 GFADRO CN1CCN(S(=O)(=O)c2cc(Br)cc3cccnc32)C(C)(C)C1 ZINC000557841817 564880727 /nfs/dbraw/zinc/88/07/27/564880727.db2.gz LFPMHZSMCPEYRY-UHFFFAOYSA-N 1 0 398.326 2.712 20 0 GFADRO C[C@@H]1CN(S(=O)(=O)c2cc(Br)cc3cccnc32)[C@@H](C)CN1C ZINC000557841125 564880847 /nfs/dbraw/zinc/88/08/47/564880847.db2.gz JAAYHIHYSRBYHY-NEPJUHHUSA-N 1 0 398.326 2.710 20 0 GFADRO C[N@H+](CCOc1ccc(S(N)(=O)=O)cc1)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000463435533 564881449 /nfs/dbraw/zinc/88/14/49/564881449.db2.gz JPDFSFSQJBYSBU-CABCVRRESA-N 1 0 380.432 2.766 20 0 GFADRO Brc1ccc2ncc(C[NH2+][C@@H]3CCOC4(CCOCC4)C3)n2c1 ZINC000557843165 564881858 /nfs/dbraw/zinc/88/18/58/564881858.db2.gz BHVUNNOXDMGAIL-CQSZACIVSA-N 1 0 380.286 2.915 20 0 GFADRO CN(CCC[NH+](C)C)C(=O)N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000530439392 564882983 /nfs/dbraw/zinc/88/29/83/564882983.db2.gz VPCSUCZQVZWGCS-AWEZNQCLSA-N 1 0 387.311 2.692 20 0 GFADRO O=C(NCc1nc(-c2cccc(Br)c2)no1)[C@@H]1CC12CC[NH2+]CC2 ZINC000583262178 564883683 /nfs/dbraw/zinc/88/36/83/564883683.db2.gz VHVBTCJKULUOIU-ZDUSSCGKSA-N 1 0 391.269 2.505 20 0 GFADRO CCO[C@H]1C[C@]([NH3+])(C(=O)Nc2ccc(CN(C)C)c(Br)c2)C1(C)C ZINC000583261813 564883824 /nfs/dbraw/zinc/88/38/24/564883824.db2.gz ITJOBBQTXCRBGN-YJBOKZPZSA-N 1 0 398.345 2.982 20 0 GFADRO O=C(NCC1CC[NH2+]CC1)N1CCO[C@@H](c2cccc(Br)c2)C1 ZINC000583311867 564886501 /nfs/dbraw/zinc/88/65/01/564886501.db2.gz AYQRKUROEQPYDZ-MRXNPFEDSA-N 1 0 382.302 2.532 20 0 GFADRO C[C@]1(C[NH2+]C[C@@H](O)COc2cccc(Br)c2)CCO[C@@H]1C1CC1 ZINC000583317868 564886674 /nfs/dbraw/zinc/88/66/74/564886674.db2.gz CXRXVBHWQSLMCN-KBAYOESNSA-N 1 0 384.314 2.984 20 0 GFADRO COC(=O)C[C@@]1([NH2+]CC2=Cc3cc(Br)ccc3OC2)CCOC1 ZINC000463722581 564887856 /nfs/dbraw/zinc/88/78/56/564887856.db2.gz AWDPVXQSPVTUMZ-KRWDZBQOSA-N 1 0 382.254 2.537 20 0 GFADRO O=C(Nc1ccc(Br)cc1O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000530572980 564888430 /nfs/dbraw/zinc/88/84/30/564888430.db2.gz BAKISFNQBZAMCD-SFHVURJKSA-N 1 0 391.265 2.730 20 0 GFADRO C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000498091241 564889139 /nfs/dbraw/zinc/88/91/39/564889139.db2.gz GLHVZBYISIJNLK-RYUDHWBXSA-N 1 0 384.307 2.712 20 0 GFADRO CCN(C)C(=O)CC[N@H+](CCc1ccc(Cl)cc1)C[C@@H](O)C(F)(F)F ZINC000558173501 564894771 /nfs/dbraw/zinc/89/47/71/564894771.db2.gz LJKZVDCPNRBODQ-OAHLLOKOSA-N 1 0 380.838 2.976 20 0 GFADRO CN(CCNC(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C)CC(F)(F)F ZINC000530841382 564896399 /nfs/dbraw/zinc/89/63/99/564896399.db2.gz QLQJLBAVSSAIDE-CQSZACIVSA-N 1 0 380.842 2.736 20 0 GFADRO Cn1cc([C@@H]2CN(C(=O)c3ccc4cc(Br)ccc4c3)C[C@H]2[NH3+])cn1 ZINC000583559150 564897770 /nfs/dbraw/zinc/89/77/70/564897770.db2.gz FCIRAIKLDCOXMK-ZWKOTPCHSA-N 1 0 399.292 2.903 20 0 GFADRO CSC1(CNC(=O)CCc2nc(-c3ccsc3)no2)CC[NH+](C)CC1 ZINC000583596025 564898829 /nfs/dbraw/zinc/89/88/29/564898829.db2.gz TUJNZUIFTFLLLB-UHFFFAOYSA-N 1 0 380.539 2.674 20 0 GFADRO CC[N@@H+]1C[C@H](C)N(C(=O)[C@H](C)NC(=O)c2ccc(Br)cc2)C[C@@H]1C ZINC000498552560 564902046 /nfs/dbraw/zinc/90/20/46/564902046.db2.gz AESYQUWRNCNCCZ-IHRRRGAJSA-N 1 0 396.329 2.509 20 0 GFADRO CC[N@@H+]1C[C@H](C)N(C(=O)c2cc(Br)c3c(c2)OCCO3)C[C@H]1C ZINC000498572273 564902465 /nfs/dbraw/zinc/90/24/65/564902465.db2.gz OWNQLLNDQFGEDR-NEPJUHHUSA-N 1 0 383.286 2.775 20 0 GFADRO Cc1cc2ncc([C@H](C)[NH2+]CCn3cc(Br)ccc3=O)c(C)n2n1 ZINC000583675911 564902529 /nfs/dbraw/zinc/90/25/29/564902529.db2.gz WTSWGIKJIKGIMX-LBPRGKRZSA-N 1 0 390.285 2.621 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)c2cc(=O)c3cc(Br)ccc3[nH]2)C[N@@H+]1C1CC1 ZINC000531244277 564904793 /nfs/dbraw/zinc/90/47/93/564904793.db2.gz IXQTYBIAXSKVKB-PWSUYJOCSA-N 1 0 390.281 2.646 20 0 GFADRO C[C@H]1CC[N@H+](C)CCN1C(=O)[C@@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1 ZINC000498708659 564905888 /nfs/dbraw/zinc/90/58/88/564905888.db2.gz VXROATBVQTWUMW-QWHCGFSZSA-N 1 0 384.307 2.899 20 0 GFADRO Cc1cc(N2CCC[C@H]([N@@H+]3CC[C@@H](C)[C@@H](O)C3)C2=O)ccc1Br ZINC000464492867 564908251 /nfs/dbraw/zinc/90/82/51/564908251.db2.gz DOLNBLMLWCSLMM-DQYPLSBCSA-N 1 0 381.314 2.956 20 0 GFADRO Cc1c(Br)ccnc1NC(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000583860922 564910994 /nfs/dbraw/zinc/91/09/94/564910994.db2.gz XTKMPXZAWQPPDV-VXGBXAGGSA-N 1 0 385.306 2.773 20 0 GFADRO C[C@H](NC(=O)C[N@@H+]1CCC[C@@]2(CNC(=O)C2)C1)c1ccc(Cl)c(Cl)c1 ZINC000464796045 564918391 /nfs/dbraw/zinc/91/83/91/564918391.db2.gz UBSLJZVPKGMEFS-KPZWWZAWSA-N 1 0 384.307 2.773 20 0 GFADRO CSCC[C@H](CO)NC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000531743531 564919019 /nfs/dbraw/zinc/91/90/19/564919019.db2.gz UIQLWYMAKWPDGF-PBHICJAKSA-N 1 0 385.961 2.890 20 0 GFADRO COCC(=O)N1CCC([NH2+][C@@H](C)Cc2ccc(Br)c(F)c2)CC1 ZINC000531717553 564919068 /nfs/dbraw/zinc/91/90/68/564919068.db2.gz YMIOFABPGIRONE-LBPRGKRZSA-N 1 0 387.293 2.746 20 0 GFADRO C[NH+]1CCC(CCO)(NC(=O)c2cc3cc(Br)ccc3[nH]2)CC1 ZINC000499125712 564919210 /nfs/dbraw/zinc/91/92/10/564919210.db2.gz ICKIWRQSLLHWHF-UHFFFAOYSA-N 1 0 380.286 2.507 20 0 GFADRO CN(Cc1ccccc1Br)C(=O)C[N@@H+]1CCC[C@@H]2COCC[C@@H]21 ZINC000464858501 564919940 /nfs/dbraw/zinc/91/99/40/564919940.db2.gz WXEUGHKTWMRPTF-WBVHZDCISA-N 1 0 381.314 2.908 20 0 GFADRO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NCc2cn3cc(Br)ccc3n2)C1 ZINC000464955588 564921685 /nfs/dbraw/zinc/92/16/85/564921685.db2.gz WPRGTUNUMKSATC-IUODEOHRSA-N 1 0 394.317 2.625 20 0 GFADRO CC(C)COC[C@@H](O)C[NH2+]Cc1nnc2c(Cl)cc(C(F)(F)F)cn12 ZINC000584167609 564923380 /nfs/dbraw/zinc/92/33/80/564923380.db2.gz ANCVNLYHGJRCTQ-NSHDSACASA-N 1 0 380.798 2.525 20 0 GFADRO C[C@@H](CNC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1)Oc1ccc(Br)cc1 ZINC000584221599 564925792 /nfs/dbraw/zinc/92/57/92/564925792.db2.gz WDTZJICHGYGGCM-SOUVJXGZSA-N 1 0 396.329 2.857 20 0 GFADRO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N[C@H](c1ccc(Br)cc1)C1CCC1 ZINC000584232240 564926646 /nfs/dbraw/zinc/92/66/46/564926646.db2.gz LIFBNYNFRGGMSJ-OZVIIMIRSA-N 1 0 396.329 2.649 20 0 GFADRO C[C@@H](CNC(=O)c1cc(Br)cnc1N(C)C)[N@@H+]1CCC[C@@H](C)C1 ZINC000499448045 564928137 /nfs/dbraw/zinc/92/81/37/564928137.db2.gz AEEDVKKNRBVFSC-OLZOCXBDSA-N 1 0 383.334 2.760 20 0 GFADRO CCC[C@@H]1CN(C(=O)COc2ccccc2Br)CC[N@@H+]1CCOC ZINC000499465520 564928310 /nfs/dbraw/zinc/92/83/10/564928310.db2.gz SVKGPRTYJGFEAD-OAHLLOKOSA-N 1 0 399.329 2.787 20 0 GFADRO CN(CC[NH2+]C[C@H](O)COc1c(Cl)cccc1Cl)CC(F)(F)F ZINC000584286652 564928496 /nfs/dbraw/zinc/92/84/96/564928496.db2.gz BCTVMYNMCZQRBE-JTQLQIEISA-N 1 0 375.218 2.817 20 0 GFADRO CC1CC[NH+](CCNC(=O)C2(c3cccc(Br)c3)CC(=O)C2)CC1 ZINC000559266864 564928850 /nfs/dbraw/zinc/92/88/50/564928850.db2.gz HFZWCEOLVFEHMX-UHFFFAOYSA-N 1 0 393.325 2.898 20 0 GFADRO CC[NH+](CC)[C@H]1CCN(C(=O)NCCOc2cccc(Br)c2)C1 ZINC000465725394 564931476 /nfs/dbraw/zinc/93/14/76/564931476.db2.gz UEIIJENKHCXRHM-HNNXBMFYSA-N 1 0 384.318 2.954 20 0 GFADRO C[C@H](CC[NH+](C)C)NC(=O)C(=O)N[C@H](C)c1cc(F)c(Cl)cc1Cl ZINC000559403432 564931990 /nfs/dbraw/zinc/93/19/90/564931990.db2.gz DGHBRUJRYOALMC-NXEZZACHSA-N 1 0 378.275 2.766 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)c1ccc2c[nH+]cn2c1 ZINC000559513299 564934647 /nfs/dbraw/zinc/93/46/47/564934647.db2.gz YJQNFZGNVDJGLK-UHFFFAOYSA-N 1 0 387.237 2.774 20 0 GFADRO COc1ccc(Br)c(CNC(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)c1 ZINC000466199361 564936298 /nfs/dbraw/zinc/93/62/98/564936298.db2.gz IEGFBWQNZGIGCQ-BDJLRTHQSA-N 1 0 382.302 2.740 20 0 GFADRO C[C@H](CNC(=O)c1cc(I)ccc1F)[NH+]1CCCC1 ZINC000532407697 564937732 /nfs/dbraw/zinc/93/77/32/564937732.db2.gz FKIUIPUXUMICHC-SNVBAGLBSA-N 1 0 376.213 2.644 20 0 GFADRO CCOC(=O)CCNC(=O)[C@@H](c1ccc(Br)cc1)N1CCCC1 ZINC000466332269 564938010 /nfs/dbraw/zinc/93/80/10/564938010.db2.gz CAPQBDPOHSABSY-MRXNPFEDSA-N 1 0 383.286 2.655 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)NCc1cnn(CC(F)(F)F)c1)c1ccsc1 ZINC000532428467 564938429 /nfs/dbraw/zinc/93/84/29/564938429.db2.gz POKCKRZUTJOFDJ-ZDUSSCGKSA-N 1 0 375.420 2.609 20 0 GFADRO CC[NH+](CC)[C@H](CNC(=O)C(=O)N1CCC[C@H]1CSC)c1ccsc1 ZINC000559741674 564939468 /nfs/dbraw/zinc/93/94/68/564939468.db2.gz NVIRTHCOUHXFHP-JKSUJKDBSA-N 1 0 383.583 2.601 20 0 GFADRO COCC(=O)N1CCC([NH2+][C@@H](C)Cc2ccc(Br)cc2F)CC1 ZINC000532511405 564940081 /nfs/dbraw/zinc/94/00/81/564940081.db2.gz ADNOTKSUGPWYKK-LBPRGKRZSA-N 1 0 387.293 2.746 20 0 GFADRO C[C@@H]([NH2+]C[C@H](O)COCc1cccs1)C1CCN(CC(F)(F)F)CC1 ZINC000559792209 564940381 /nfs/dbraw/zinc/94/03/81/564940381.db2.gz GRDKHTBHXNNOBU-HIFRSBDPSA-N 1 0 380.476 2.878 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)C[N@@H+]1C[C@H](C)C[C@H]1C ZINC000532574207 564940639 /nfs/dbraw/zinc/94/06/39/564940639.db2.gz PYWLGPBNSACHDT-TZMCWYRMSA-N 1 0 396.329 2.885 20 0 GFADRO CCO[C@@H](CC[NH+](C)C)CNC(=O)Nc1cc(Br)cc(OC)c1 ZINC000500081664 564944555 /nfs/dbraw/zinc/94/45/55/564944555.db2.gz MGBMJMGHBAMXIL-AWEZNQCLSA-N 1 0 388.306 2.936 20 0 GFADRO Fc1ccc(Br)c(F)c1CN1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000500072966 564944651 /nfs/dbraw/zinc/94/46/51/564944651.db2.gz FMKZBMJOXQCVKB-GFCCVEGCSA-N 1 0 375.257 2.881 20 0 GFADRO C[C@@H]1CN(C(=O)Nc2cc(Cl)c(Cl)cn2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000466661550 564945194 /nfs/dbraw/zinc/94/51/94/564945194.db2.gz SGUGPYZQCFAEBY-DOMZBBRYSA-N 1 0 386.327 2.878 20 0 GFADRO O=S(=O)(NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1cc(Cl)ccc1F ZINC000560041713 564946359 /nfs/dbraw/zinc/94/63/59/564946359.db2.gz MRJKDMTYMRKFEH-HOTGVXAUSA-N 1 0 390.908 2.525 20 0 GFADRO C[C@@H]1CN(C(=O)C(=O)Nc2ccccc2Br)CC[N@@H+](C2CCC2)C1 ZINC000560099009 564949277 /nfs/dbraw/zinc/94/92/77/564949277.db2.gz PLHKWLRBJJSLMH-ZDUSSCGKSA-N 1 0 394.313 2.720 20 0 GFADRO O=c1cc(CN2CC[C@H]([NH+]3CCCCC3)C2)nc2ccc(Br)cn12 ZINC000532959745 564951015 /nfs/dbraw/zinc/95/10/15/564951015.db2.gz MWNMULTULWUFMC-INIZCTEOSA-N 1 0 391.313 2.517 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)Cc2cc(=O)n3cc(Br)ccc3n2)C[C@H]1C ZINC000532988242 564951652 /nfs/dbraw/zinc/95/16/52/564951652.db2.gz IIUKMTKHUGRCAM-CJNGLKHVSA-N 1 0 393.329 2.762 20 0 GFADRO C[C@H](Oc1ccc(Br)cc1)C(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000466981578 564951948 /nfs/dbraw/zinc/95/19/48/564951948.db2.gz UKAKBWJWUJUZEO-ZNMIVQPWSA-N 1 0 399.329 2.832 20 0 GFADRO CS(=O)(=O)NC[C@H]1CCC[C@@H]1[NH2+]Cc1c(Cl)cccc1N1CCCC1 ZINC000500461892 564954245 /nfs/dbraw/zinc/95/42/45/564954245.db2.gz KRXAORVFYBCPDJ-PBHICJAKSA-N 1 0 385.961 2.748 20 0 GFADRO CS(=O)(=O)NC[C@H]1CCC[C@@H]1[NH2+]Cc1cc(Br)ccc1Cl ZINC000500464489 564954324 /nfs/dbraw/zinc/95/43/24/564954324.db2.gz SPMSZAPHNCYYST-YGRLFVJLSA-N 1 0 395.750 2.910 20 0 GFADRO C[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)NCC1([NH+](C)C)CCC1 ZINC000500462170 564954652 /nfs/dbraw/zinc/95/46/52/564954652.db2.gz MBYHSHFQOVXTBN-LBPRGKRZSA-N 1 0 386.323 2.641 20 0 GFADRO O[C@H](COC[C@@H]1CCCO1)CN1CCc2c(F)ccc(Br)c2C1 ZINC000560278688 564955827 /nfs/dbraw/zinc/95/58/27/564955827.db2.gz HYDZLZZRKTVROG-STQMWFEESA-N 1 0 388.277 2.503 20 0 GFADRO OCCOC1(C[NH2+]CC2=Cc3cc(Cl)cc(Cl)c3OC2)CCOCC1 ZINC000500517265 564956354 /nfs/dbraw/zinc/95/63/54/564956354.db2.gz WAGMQIPXEVSXRH-UHFFFAOYSA-N 1 0 388.291 2.917 20 0 GFADRO COc1cc(Cl)c(C[NH2+][C@@H]2CCC[C@@H]2CNS(C)(=O)=O)cc1Cl ZINC000500543544 564957110 /nfs/dbraw/zinc/95/71/10/564957110.db2.gz CXHLEJSKCPDXAF-QMTHXVAHSA-N 1 0 381.325 2.810 20 0 GFADRO COc1cc(Cl)c(C[NH2+][C@@H]2CCC[C@H]2CNS(C)(=O)=O)cc1Cl ZINC000500543543 564957314 /nfs/dbraw/zinc/95/73/14/564957314.db2.gz CXHLEJSKCPDXAF-IINYFYTJSA-N 1 0 381.325 2.810 20 0 GFADRO COC(=O)C[N@H+](CCC(=O)Nc1c(Cl)cccc1Cl)C1CCOCC1 ZINC000533447969 564963101 /nfs/dbraw/zinc/96/31/01/564963101.db2.gz HRTDCHPQYWKGKV-UHFFFAOYSA-N 1 0 389.279 2.976 20 0 GFADRO C[C@H](Cn1cc(Br)cn1)[NH2+][C@H]1CC(=O)N(Cc2ccccc2)[C@H]1C ZINC000467435406 564963528 /nfs/dbraw/zinc/96/35/28/564963528.db2.gz SHBWYPXVBUXXBC-KEYYUXOJSA-N 1 0 391.313 2.813 20 0 GFADRO COCC[C@@H](CO)[NH2+][C@H](C)CCc1ccc(I)cc1 ZINC000467445360 564963558 /nfs/dbraw/zinc/96/35/58/564963558.db2.gz AGGLWWRSNNAVLT-DOMZBBRYSA-N 1 0 377.266 2.599 20 0 GFADRO C[NH+](C)[C@@]1(CNC(=O)N2CCO[C@@H](c3cccc(Cl)c3)C2)CCSC1 ZINC000467470887 564964087 /nfs/dbraw/zinc/96/40/87/564964087.db2.gz ZYASRTAYQHLZSC-SJLPKXTDSA-N 1 0 383.945 2.860 20 0 GFADRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NS(=O)(=O)c1ccc(Br)cc1Cl ZINC000467509501 564965625 /nfs/dbraw/zinc/96/56/25/564965625.db2.gz GAVZZLAZVFKMNF-NOZJJQNGSA-N 1 0 393.734 2.864 20 0 GFADRO CCOc1c(Cl)cc(NC(=O)C(=O)NCC2CC[NH+](C)CC2)cc1Cl ZINC000467609456 564968163 /nfs/dbraw/zinc/96/81/63/564968163.db2.gz YSSBYRZOOHRMEA-UHFFFAOYSA-N 1 0 388.295 2.789 20 0 GFADRO CC[C@@H]([NH2+]CCNS(=O)(=O)c1cccc(Cl)c1Cl)[C@@H]1CCOC1 ZINC000560575020 564968313 /nfs/dbraw/zinc/96/83/13/564968313.db2.gz KNRPWVLZLDBLCE-DGCLKSJQSA-N 1 0 381.325 2.676 20 0 GFADRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1cc(=O)[nH]c2c(Br)cccc12 ZINC000467712047 564970335 /nfs/dbraw/zinc/97/03/35/564970335.db2.gz AVQXWMZRHVRUER-BMIGLBTASA-N 1 0 390.281 2.915 20 0 GFADRO CC[NH+](CC)C[C@@H](C)NC(=O)COc1ccc(I)cc1 ZINC000501249541 564974528 /nfs/dbraw/zinc/97/45/28/564974528.db2.gz RYBIAFITZVUBTK-GFCCVEGCSA-N 1 0 390.265 2.517 20 0 GFADRO CC[NH+](CC)C[C@H](C)NC(=O)CSc1nncn1-c1cccc(Cl)c1 ZINC000501249611 564974600 /nfs/dbraw/zinc/97/46/00/564974600.db2.gz SYYOTKHIBVFPGL-ZDUSSCGKSA-N 1 0 381.933 2.859 20 0 GFADRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1ccc(I)cc1 ZINC000560759828 564974862 /nfs/dbraw/zinc/97/48/62/564974862.db2.gz GJHFTDXPJANJCN-SWLSCSKDSA-N 1 0 384.261 2.990 20 0 GFADRO O=C(Nc1cc(Br)ccc1O)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000533964549 564976421 /nfs/dbraw/zinc/97/64/21/564976421.db2.gz ZTGVXOOUUNJPHM-GOSISDBHSA-N 1 0 391.265 2.730 20 0 GFADRO Cc1cc(F)c(NC(=O)N2CCC[N@@H+](C)CC2)c(I)c1 ZINC000501328353 564976542 /nfs/dbraw/zinc/97/65/42/564976542.db2.gz RNDPQUZPNPEBJA-UHFFFAOYSA-N 1 0 391.228 2.908 20 0 GFADRO CC[NH+]1CCN(CC(=O)N2CCC[C@H]2c2ccc(Br)cc2)CC1 ZINC000468067915 564977570 /nfs/dbraw/zinc/97/75/70/564977570.db2.gz GTMOXNFYMUMBDL-KRWDZBQOSA-N 1 0 380.330 2.750 20 0 GFADRO CC[C@]1(C)CC[N@H+](CC(=O)NCC(=O)Nc2ccccc2Br)C1 ZINC000468130693 564978346 /nfs/dbraw/zinc/97/83/46/564978346.db2.gz OVKPBIWVEYUNPT-QGZVFWFLSA-N 1 0 382.302 2.626 20 0 GFADRO CC[C@H](C(=O)N[C@@H]1CCCN(c2ccc(Br)c(C)c2)C1=O)[NH+](C)C ZINC000468141670 564978412 /nfs/dbraw/zinc/97/84/12/564978412.db2.gz IDNRIOQLMVLZGJ-HZPDHXFCSA-N 1 0 396.329 2.709 20 0 GFADRO CC[NH2+]CCCNC(=O)Nc1ccnn1Cc1ccc(Br)cc1 ZINC000561015329 564980904 /nfs/dbraw/zinc/98/09/04/564980904.db2.gz FNUFKEFWLBSIBN-UHFFFAOYSA-N 1 0 380.290 2.815 20 0 GFADRO CC(C)[NH2+]CCCNC(=O)C(=O)Nc1cc(F)c(Br)cc1Cl ZINC000561003658 564980955 /nfs/dbraw/zinc/98/09/55/564980955.db2.gz PGWLYJCPEHBVMN-UHFFFAOYSA-N 1 0 394.672 2.684 20 0 GFADRO COCC[NH2+]CCNC(=O)Nc1ccc(C(F)(F)F)c(Br)c1 ZINC000561008425 564980973 /nfs/dbraw/zinc/98/09/73/564980973.db2.gz UCBFCVPWEWKCEQ-UHFFFAOYSA-N 1 0 384.196 2.825 20 0 GFADRO CC[N@H+](CCNC(=O)C(=O)Nc1cccc(Br)c1Cl)C(C)C ZINC000561007903 564980993 /nfs/dbraw/zinc/98/09/93/564980993.db2.gz GNTLLVTZZJSPIQ-UHFFFAOYSA-N 1 0 390.709 2.888 20 0 GFADRO CCN(Cc1ccc(Cl)s1)C(=O)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000561026726 564981749 /nfs/dbraw/zinc/98/17/49/564981749.db2.gz AAXXQKZJRJLENP-UHFFFAOYSA-N 1 0 385.961 2.987 20 0 GFADRO O=C(NC[C@@H]1C[NH2+]CCCO1)NCC1(c2cccc(Br)c2)CCC1 ZINC000561174463 564986146 /nfs/dbraw/zinc/98/61/46/564986146.db2.gz YEWPBWWLFKMKLB-INIZCTEOSA-N 1 0 396.329 2.549 20 0 GFADRO CC1CC[NH+](C[C@@H](O)CNc2ccc(Br)c(C(F)(F)F)n2)CC1 ZINC000561193095 564987191 /nfs/dbraw/zinc/98/71/91/564987191.db2.gz DYEKORCGKPJUQS-NSHDSACASA-N 1 0 396.251 3.368 20 0 GFADRO O=C(NCCn1cc(Br)cn1)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000561330570 564991346 /nfs/dbraw/zinc/99/13/46/564991346.db2.gz MIPBADONGBVIMX-QGZVFWFLSA-N 1 0 391.313 2.817 20 0 GFADRO C[C@H](NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1)c1cccc(Cl)c1Cl ZINC000502231902 564994964 /nfs/dbraw/zinc/99/49/64/564994964.db2.gz NJTOVLWUTKCGSI-AAEUAGOBSA-N 1 0 384.307 2.866 20 0 GFADRO CC[NH+](CC)C[C@@H](C)NC(=O)[C@H]1CC(=O)Nc2ccc(Br)cc21 ZINC000468863401 564996697 /nfs/dbraw/zinc/99/66/97/564996697.db2.gz FBZFJVGQAHLMFR-RISCZKNCSA-N 1 0 382.302 2.721 20 0 GFADRO CC[N@H+](CCOCCO)Cc1ccc(I)cc1Cl ZINC000502378741 564997111 /nfs/dbraw/zinc/99/71/11/564997111.db2.gz VZVVXWZRRJHGDL-UHFFFAOYSA-N 1 0 383.657 2.775 20 0 GFADRO CS[C@H]1CN(C(=O)c2cn(C)nc2-c2ccccc2Cl)C[C@@H]1[NH+](C)C ZINC000534827777 564997338 /nfs/dbraw/zinc/99/73/38/564997338.db2.gz QFWJBXPCJCMJDS-HOTGVXAUSA-N 1 0 378.929 2.858 20 0 GFADRO CS[C@@H]1CN(C(=O)[C@H](C)Oc2ccccc2Br)C[C@@H]1[NH+](C)C ZINC000534827926 564997465 /nfs/dbraw/zinc/99/74/65/564997465.db2.gz STQCCWGJKRMZLR-CORIIIEPSA-N 1 0 387.343 2.720 20 0 GFADRO C[C@H]1CC[N@H+](CCNS(=O)(=O)c2cc(Br)cc3cccnc32)C1 ZINC000561510757 564997758 /nfs/dbraw/zinc/99/77/58/564997758.db2.gz CLXBGWGKZKPZSI-LBPRGKRZSA-N 1 0 398.326 2.617 20 0 GFADRO CS[C@@H]1CN(S(=O)(=O)c2cc(Cl)sc2Cl)C[C@H]1[NH+](C)C ZINC000503244938 565016516 /nfs/dbraw/zinc/01/65/16/565016516.db2.gz SKMRIJOHEYLQDL-HTQZYQBOSA-N 1 0 375.368 2.721 20 0 GFADRO CS[C@@H]1CN(S(=O)(=O)Cc2cccc(C(F)(F)F)c2)C[C@H]1[NH+](C)C ZINC000534907414 564999901 /nfs/dbraw/zinc/99/99/01/564999901.db2.gz SSTWGPAOAQLOAB-ZIAGYGMSSA-N 1 0 382.473 2.513 20 0 GFADRO NC(=O)CCC1CC[NH+](C[C@@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000502529519 565000980 /nfs/dbraw/zinc/00/09/80/565000980.db2.gz HMPDUFSHBMOJOX-CQSZACIVSA-N 1 0 375.296 2.711 20 0 GFADRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)[C@@H](C)Oc3ccccc3Br)[C@H]2C1 ZINC000502659900 565002901 /nfs/dbraw/zinc/00/29/01/565002901.db2.gz BMJUZKLWXANYMF-UKPHBRMFSA-N 1 0 397.313 2.538 20 0 GFADRO O[C@H](C[NH2+][C@H]1CCC12CCC2)COc1ccc(I)cc1 ZINC000502701395 565003637 /nfs/dbraw/zinc/00/36/37/565003637.db2.gz UASJKOASBSDPDX-HIFRSBDPSA-N 1 0 387.261 2.953 20 0 GFADRO C[C@H](CN1CCOCC1)N(C)C(=O)c1ccc(Br)c(Cl)c1 ZINC000469136693 565006761 /nfs/dbraw/zinc/00/67/61/565006761.db2.gz TUMADDYGAFXWIJ-LLVKDONJSA-N 1 0 375.694 2.895 20 0 GFADRO CS(=O)(=O)c1ccc(CNCc2cc3c(cc2OC(F)F)OCO3)s1 ZINC000469130272 565007039 /nfs/dbraw/zinc/00/70/39/565007039.db2.gz UNLHXFUSRIXEPC-UHFFFAOYSA-N 1 0 391.417 2.772 20 0 GFADRO CCC[C@H]([NH2+]C(C)C)C(=O)N1CCNC(=O)[C@H]1c1cccc(Br)c1 ZINC000502884298 565008524 /nfs/dbraw/zinc/00/85/24/565008524.db2.gz YZDXEBOVERJIGD-JKSUJKDBSA-N 1 0 396.329 2.615 20 0 GFADRO C[C@@H](CCc1ccc(Br)cc1)NC(=O)NCCNc1cc[nH+]cc1 ZINC000535262429 565008981 /nfs/dbraw/zinc/00/89/81/565008981.db2.gz UZFFWRNEEJIUCV-AWEZNQCLSA-N 1 0 391.313 2.998 20 0 GFADRO CCc1n[nH]c(C(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)c1Br ZINC000469309609 565013067 /nfs/dbraw/zinc/01/30/67/565013067.db2.gz HKMYPYXFMQJVSY-CYBMUJFWSA-N 1 0 383.265 2.906 20 0 GFADRO CCc1n[nH]c(C(=O)N[C@H](C)C[N@H+](C)Cc2ccccc2)c1Br ZINC000469310387 565013264 /nfs/dbraw/zinc/01/32/64/565013264.db2.gz MBMUDUZVVXSJDB-GFCCVEGCSA-N 1 0 379.302 2.985 20 0 GFADRO CS[C@@H]1CN(C(=O)c2csc(Cc3ccccc3F)n2)C[C@@H]1[NH+](C)C ZINC000535543127 565015321 /nfs/dbraw/zinc/01/53/21/565015321.db2.gz QDNGPLGYHMZUAN-JKSUJKDBSA-N 1 0 379.526 2.991 20 0 GFADRO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N[C@@H](C)C[N@H+](C)C(C)C ZINC000562009345 565015333 /nfs/dbraw/zinc/01/53/33/565015333.db2.gz MJMFXWQNEUBCOK-KBPBESRZSA-N 1 0 392.949 2.761 20 0 GFADRO Cc1cnn([C@H]2CC[N@H+](C[C@H](O)COc3ccc(Br)cc3)C2)c1 ZINC000562056770 565016006 /nfs/dbraw/zinc/01/60/06/565016006.db2.gz MDQWKHJKWBKURA-HOTGVXAUSA-N 1 0 380.286 2.641 20 0 GFADRO C[NH+](C)CCOC1CCN(C(=O)c2c(F)ccc(Br)c2F)CC1 ZINC000469408408 565016571 /nfs/dbraw/zinc/01/65/71/565016571.db2.gz QZQCHNZIHWWHPW-UHFFFAOYSA-N 1 0 391.256 2.910 20 0 GFADRO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCCCNC(=O)c1ccc(Br)cc1 ZINC000469415158 565017090 /nfs/dbraw/zinc/01/70/90/565017090.db2.gz APLCVMFDEKESRO-OKILXGFUSA-N 1 0 396.329 2.558 20 0 GFADRO Cc1cc(C)n2c(C[NH2+][C@H](CO)c3ccc(Br)cc3)cnc2n1 ZINC000503274164 565017309 /nfs/dbraw/zinc/01/73/09/565017309.db2.gz YDURGWYAIFQWMJ-MRXNPFEDSA-N 1 0 375.270 2.932 20 0 GFADRO CN(Cc1cn(-c2ccccc2Br)nn1)C[C@H]1CCC[N@H+](C)C1 ZINC000562199093 565019590 /nfs/dbraw/zinc/01/95/90/565019590.db2.gz MITSLVGJWLKFBH-AWEZNQCLSA-N 1 0 378.318 2.803 20 0 GFADRO C[C@H](NCCS(=O)(=O)NCc1ccccc1)c1ccc(Br)cn1 ZINC000562309968 565023656 /nfs/dbraw/zinc/02/36/56/565023656.db2.gz GHYSNMYPOUANLO-ZDUSSCGKSA-N 1 0 398.326 2.614 20 0 GFADRO C[C@H]1CC[N@H+](C)CCN1C(=O)C1(c2ccc(I)cc2)CC1 ZINC000503611083 565024931 /nfs/dbraw/zinc/02/49/31/565024931.db2.gz CEZYOBUIENJIND-ZDUSSCGKSA-N 1 0 398.288 2.875 20 0 GFADRO CCC[C@@H]([NH2+]C(C)C)C(=O)N1CCNC(=O)[C@H]1c1ccccc1Br ZINC000503664657 565025428 /nfs/dbraw/zinc/02/54/28/565025428.db2.gz WDVXBKFVZSXWSF-HZPDHXFCSA-N 1 0 396.329 2.615 20 0 GFADRO COC(=O)CN(C)C(=O)CC[N@H+](C)C[C@H](C)Oc1ccc(Cl)c(Cl)c1 ZINC000469753614 565025952 /nfs/dbraw/zinc/02/59/52/565025952.db2.gz UOLSWEFLFUSWJH-LBPRGKRZSA-N 1 0 391.295 2.714 20 0 GFADRO C[NH+]1CCC(C)(CNC(=O)[C@@H]2CC(=O)Nc3ccc(Br)cc32)CC1 ZINC000469763026 565026164 /nfs/dbraw/zinc/02/61/64/565026164.db2.gz HCTYMTJLFGOZEQ-CQSZACIVSA-N 1 0 394.313 2.723 20 0 GFADRO C[C@@H](c1ccc(N2CCCS2(=O)=O)cc1)[N@H+](C)C[C@@H](O)CC(F)(F)F ZINC000469777722 565026906 /nfs/dbraw/zinc/02/69/06/565026906.db2.gz AMWDJEHIMDMNSJ-WFASDCNBSA-N 1 0 380.432 2.533 20 0 GFADRO O=S(=O)(c1ccc(F)cc1Cl)N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000469800932 565027898 /nfs/dbraw/zinc/02/78/98/565027898.db2.gz NURKJWFIYLZWIS-HNNXBMFYSA-N 1 0 390.908 2.745 20 0 GFADRO CO[C@@H]1CCN(Cc2cc(Br)c3c(c2)OCCCO3)[C@H](C[NH3+])C1 ZINC000469879910 565030924 /nfs/dbraw/zinc/03/09/24/565030924.db2.gz HFOHKBJVXSVQBV-UONOGXRCSA-N 1 0 385.302 2.549 20 0 GFADRO CS(=O)(=O)NC[C@H]1CCC[C@H]1[NH2+]Cc1c(F)cccc1OC(F)(F)F ZINC000562509832 565031133 /nfs/dbraw/zinc/03/11/33/565031133.db2.gz NMKNKIQBPSZUES-ZWNOBZJWSA-N 1 0 384.395 2.532 20 0 GFADRO COC(=O)[C@H]1CC[N@H+](CCC(=O)Nc2ccc(Br)cc2F)[C@H]1C ZINC000469999396 565034632 /nfs/dbraw/zinc/03/46/32/565034632.db2.gz APWPJADHXHFLKP-JQWIXIFHSA-N 1 0 387.249 2.800 20 0 GFADRO COc1ccc2c(c1)OC[C@@H]([NH2+][C@@H](C(N)=O)c1ccc(Br)cc1)C2 ZINC000504377557 565038946 /nfs/dbraw/zinc/03/89/46/565038946.db2.gz YKLZLZYELJCRHD-WMLDXEAASA-N 1 0 391.265 2.577 20 0 GFADRO C[C@H]1CN(C(=O)NC[C@H](c2ccsc2)[NH+](C)C)CCN1CC(F)(F)F ZINC000536500942 565039333 /nfs/dbraw/zinc/03/93/33/565039333.db2.gz CQOLRPPJHRGCNX-GXTWGEPZSA-N 1 0 378.464 2.629 20 0 GFADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)Nc1ccc(Cl)c(OC(F)F)c1 ZINC000504471711 565040370 /nfs/dbraw/zinc/04/03/70/565040370.db2.gz UAXJIEFTINGNEI-JTQLQIEISA-N 1 0 377.819 2.726 20 0 GFADRO C[C@@H]1[C@H](C)N(C(=O)[C@@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)CC[N@H+]1C ZINC000536598042 565041546 /nfs/dbraw/zinc/04/15/46/565041546.db2.gz LQODUJBQAZVSQB-DYEKYZERSA-N 1 0 384.307 2.897 20 0 GFADRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)[C@H]1CCN(c2cc(Cl)ccc2Cl)C1=O ZINC000536598044 565042056 /nfs/dbraw/zinc/04/20/56/565042056.db2.gz LQODUJBQAZVSQB-YRGRVCCFSA-N 1 0 384.307 2.897 20 0 GFADRO O=C(NCCC[NH2+]C1CC1)NCCNc1ncc(C(F)(F)F)cc1Cl ZINC000562793776 565043386 /nfs/dbraw/zinc/04/33/86/565043386.db2.gz BAXVYAJARDTOMD-UHFFFAOYSA-N 1 0 379.814 2.607 20 0 GFADRO C[NH+](C)CC1CCC(NC(=O)N[C@H](CO)c2ccc(Br)cc2)CC1 ZINC000504816976 565044405 /nfs/dbraw/zinc/04/44/05/565044405.db2.gz DYBASUFOAHICLK-QWFMPGPPSA-N 1 0 398.345 2.902 20 0 GFADRO C[C@@H](NC(=O)N[C@@H](CO)c1ccc(Br)cc1)C(C)(C)C[NH+](C)C ZINC000504835749 565045279 /nfs/dbraw/zinc/04/52/79/565045279.db2.gz UBNXAYIZOHZXEJ-DOMZBBRYSA-N 1 0 386.334 2.758 20 0 GFADRO CS[C@@H]1CN(C(=O)CCOCC(F)(F)C(F)(F)F)C[C@@H]1[NH+]1CCCC1 ZINC000504873335 565045943 /nfs/dbraw/zinc/04/59/43/565045943.db2.gz SBGCZCPPVFHLLO-NWDGAFQWSA-N 1 0 390.418 2.629 20 0 GFADRO CC(=O)N1CCC(C[NH2+]C[C@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000562985855 565050800 /nfs/dbraw/zinc/05/08/00/565050800.db2.gz SCXUYHQZGPJDEW-HNNXBMFYSA-N 1 0 375.296 2.581 20 0 GFADRO C[C@@H]1CN(C[C@H](O)C[NH2+]Cc2cc(Cl)ccc2OC(F)F)C[C@@H](C)O1 ZINC000562989254 565051141 /nfs/dbraw/zinc/05/11/41/565051141.db2.gz GFDQIFHGOBJDPZ-LALPHHSUSA-N 1 0 378.847 2.501 20 0 GFADRO C[C@@H](OC[C@H](O)C[NH2+]CC1(CS(C)(=O)=O)CCC1)c1ccc(Cl)cc1 ZINC000563008458 565052121 /nfs/dbraw/zinc/05/21/21/565052121.db2.gz ZFDANXKNPKGDFF-RHSMWYFYSA-N 1 0 389.945 2.583 20 0 GFADRO C[C@H](NC(=O)N1CC[NH+](C2CCCCC2)CC1)c1ncc(Br)cn1 ZINC000563058398 565053303 /nfs/dbraw/zinc/05/33/03/565053303.db2.gz GUBCFEYGWHYRDS-ZDUSSCGKSA-N 1 0 396.333 2.960 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)c2c(F)cc(Br)cc2F)CC12CCOCC2 ZINC000563115564 565055881 /nfs/dbraw/zinc/05/58/81/565055881.db2.gz WSKAJVNMBHNJII-JTQLQIEISA-N 1 0 389.240 2.555 20 0 GFADRO O=S(=O)(CCC1CC1)NC1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000537795600 565063192 /nfs/dbraw/zinc/06/31/92/565063192.db2.gz KXZPXPLJPCKPEU-UHFFFAOYSA-N 1 0 386.945 2.903 20 0 GFADRO CC(=O)c1cc(Br)ccc1OCC(=O)N[C@@H]1CCC[C@H]1[NH+](C)C ZINC000613664059 565076835 /nfs/dbraw/zinc/07/68/35/565076835.db2.gz BIVMZFOKZGIDJA-HUUCEWRRSA-N 1 0 383.286 2.629 20 0 GFADRO O=C(CCn1cc(Br)cn1)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000684795290 565083963 /nfs/dbraw/zinc/08/39/63/565083963.db2.gz DUDZNHHXRHGIDE-MRXNPFEDSA-N 1 0 383.334 2.949 20 0 GFADRO CO[C@H]1C[C@H]([NH2+]Cc2cc(=O)n3cc(Br)ccc3n2)C12CCC2 ZINC000657233436 565091623 /nfs/dbraw/zinc/09/16/23/565091623.db2.gz IYMQFZBNNMFEOG-KBPBESRZSA-N 1 0 378.270 2.504 20 0 GFADRO C[NH+](C)C[C@]1(O)CCCN(C(=O)CCc2nc3cc(Cl)ccc3s2)C1 ZINC000614069425 565093614 /nfs/dbraw/zinc/09/36/14/565093614.db2.gz WUGAWVOFGPSDKL-GOSISDBHSA-N 1 0 381.929 2.797 20 0 GFADRO COC(=O)c1ccc(C[NH2+]C[C@H](O)Cc2ccccc2)c(Br)c1 ZINC000584746135 565094710 /nfs/dbraw/zinc/09/47/10/565094710.db2.gz ARJUKGWXFVUKIA-MRXNPFEDSA-N 1 0 378.266 2.929 20 0 GFADRO CCCOc1c(Br)cc(C[NH2+]C[C@@H]2CCCNC2=O)cc1OC ZINC000657287932 565096318 /nfs/dbraw/zinc/09/63/18/565096318.db2.gz IVQDFQWHNMQPNN-ZDUSSCGKSA-N 1 0 385.302 2.862 20 0 GFADRO O=C(N[C@@H]1CCN(c2cccc(Br)c2)C1)[C@H]1CCc2nc[nH]c2C1 ZINC000614134119 565098629 /nfs/dbraw/zinc/09/86/29/565098629.db2.gz SPMIUUCHZRCIRY-GXTWGEPZSA-N 1 0 389.297 2.672 20 0 GFADRO Cn1ncc(C2CC2)c1C[NH2+]C[C@H](O)COc1ccccc1Br ZINC000657399092 565099369 /nfs/dbraw/zinc/09/93/69/565099369.db2.gz HGZXMFWERSBWDI-ZDUSSCGKSA-N 1 0 380.286 2.590 20 0 GFADRO COCCOCC[N@H+](C)CCC(=O)N1CC[C@H]1c1ccc(Br)cc1 ZINC000636235234 565099959 /nfs/dbraw/zinc/09/99/59/565099959.db2.gz DBJFDULRJFWQDD-KRWDZBQOSA-N 1 0 399.329 2.707 20 0 GFADRO Cn1nc(C(F)(F)F)cc1C[NH2+]CCCCn1cc(Br)cn1 ZINC000657452477 565101965 /nfs/dbraw/zinc/10/19/65/565101965.db2.gz FZUQGKSQOBNDEZ-UHFFFAOYSA-N 1 0 380.212 2.968 20 0 GFADRO Cc1cc(CC(=O)Nc2cc(Br)ccc2N(C)CC[NH+](C)C)on1 ZINC000584845285 565102104 /nfs/dbraw/zinc/10/21/04/565102104.db2.gz QBOGKIAUBHHXOC-UHFFFAOYSA-N 1 0 395.301 2.925 20 0 GFADRO CO[C@H](C[NH2+]Cc1cnn(-c2ccc(Br)cc2)c1)[C@@H]1CCOC1 ZINC000657543845 565107050 /nfs/dbraw/zinc/10/70/50/565107050.db2.gz NDOWIGYKOGPLCR-RHSMWYFYSA-N 1 0 380.286 2.776 20 0 GFADRO Cc1c(F)c(Br)ccc1NC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000657534085 565107307 /nfs/dbraw/zinc/10/73/07/565107307.db2.gz DVIZUFODKJXYQL-KGLIPLIRSA-N 1 0 398.276 2.578 20 0 GFADRO C[NH+](C)CCN(Cc1cc(Br)cc2c1OCC2)C[C@H]1CCCO1 ZINC000685455764 565107775 /nfs/dbraw/zinc/10/77/75/565107775.db2.gz LNUMIEXDMMYWKG-QGZVFWFLSA-N 1 0 383.330 2.927 20 0 GFADRO CC[C@@H]1C[N@H+](C)CCCN1C(=O)c1c(C)nc2ccc(Br)cn21 ZINC000614341078 565108458 /nfs/dbraw/zinc/10/84/58/565108458.db2.gz GIZXMJYHBGZYME-CQSZACIVSA-N 1 0 379.302 2.962 20 0 GFADRO C[N@@H+]1CCC[C@@H](N2CCN(Cc3cccc(I)c3)CC2)C1 ZINC000585766175 565110535 /nfs/dbraw/zinc/11/05/35/565110535.db2.gz ITZRCQAPZWPVPH-QGZVFWFLSA-N 1 0 399.320 2.503 20 0 GFADRO C[NH+](C)C1CCN(C(=O)c2c(O)cnc3c(Br)cccc32)CC1 ZINC000685607487 565115335 /nfs/dbraw/zinc/11/53/35/565115335.db2.gz XZMKPJHBQSJEOR-UHFFFAOYSA-N 1 0 378.270 2.869 20 0 GFADRO O=C(C1CCC1)N1CCN(CC[NH2+]Cc2cscc2C(F)(F)F)CC1 ZINC000685615828 565115384 /nfs/dbraw/zinc/11/53/84/565115384.db2.gz CUYGSVSDHSVGBW-UHFFFAOYSA-N 1 0 375.460 2.801 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]CCc1ccoc1 ZINC000657653307 565116540 /nfs/dbraw/zinc/11/65/40/565116540.db2.gz JDDVGRFHGVIYFP-LBPRGKRZSA-N 1 0 381.270 2.888 20 0 GFADRO CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)Nc1cccc(Br)c1F ZINC000657651525 565116565 /nfs/dbraw/zinc/11/65/65/565116565.db2.gz GCJOTHOWSZFVIF-NSHDSACASA-N 1 0 386.265 2.517 20 0 GFADRO O=C(NC[C@H]1C[N@@H+]2CCN1CCC2)c1cccc2cccc(Br)c21 ZINC000614505392 565116661 /nfs/dbraw/zinc/11/66/61/565116661.db2.gz MZYFVXSDYDUYFO-HNNXBMFYSA-N 1 0 388.309 2.722 20 0 GFADRO CCC[N@H+](CC)CCNC(=O)C(=O)Nc1ccc(F)c(Br)c1F ZINC000657697936 565120977 /nfs/dbraw/zinc/12/09/77/565120977.db2.gz XVTOSLKOVSMBJF-UHFFFAOYSA-N 1 0 392.244 2.514 20 0 GFADRO CCS(=O)(=O)C1(C[NH2+]Cc2cc(Cl)ccc2OC[C@@H]2CCCO2)CC1 ZINC000657759710 565127246 /nfs/dbraw/zinc/12/72/46/565127246.db2.gz UUQCPUHTNBTPPY-INIZCTEOSA-N 1 0 387.929 2.955 20 0 GFADRO CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)Nc1cccc(Br)c1F ZINC000657842806 565132767 /nfs/dbraw/zinc/13/27/67/565132767.db2.gz AJXJYIMUMVLQBM-LLVKDONJSA-N 1 0 386.265 2.517 20 0 GFADRO C[C@H](NC(=O)NCc1c(Br)cnn1C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000637033814 565135152 /nfs/dbraw/zinc/13/51/52/565135152.db2.gz MHUGJOVKQMLAKL-QWHCGFSZSA-N 1 0 398.349 2.635 20 0 GFADRO C[NH+](C)C[C@@H](CO)NC(=O)Cc1csc(-c2ccc(Cl)cc2Cl)n1 ZINC000614852031 565135511 /nfs/dbraw/zinc/13/55/11/565135511.db2.gz FTONQJQXRHHQPI-LBPRGKRZSA-N 1 0 388.320 2.698 20 0 GFADRO C[C@H]([NH2+]C[C@H](O)CS(=O)(=O)c1cccs1)c1ccc(C(F)F)nc1 ZINC000657928721 565137222 /nfs/dbraw/zinc/13/72/22/565137222.db2.gz BMOMASZTVHDUPP-JQWIXIFHSA-N 1 0 376.450 2.566 20 0 GFADRO COc1nc(C)c(Br)cc1C(=O)N1CCC2(C1)CC[NH+](C)CC2 ZINC000614965345 565140126 /nfs/dbraw/zinc/14/01/26/565140126.db2.gz UBXALKHPEVTFFC-UHFFFAOYSA-N 1 0 382.302 2.719 20 0 GFADRO CC(C)[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1CCO[C@H]1c1cncc(Br)c1 ZINC000614980699 565140418 /nfs/dbraw/zinc/14/04/18/565140418.db2.gz DWWSMDBRJMWQNO-MAZHCROVSA-N 1 0 384.318 2.767 20 0 GFADRO Cc1c(F)c(Br)ccc1NC(=O)C(=O)N[C@@H](C)C[N@@H+](C)C(C)C ZINC000657958856 565140667 /nfs/dbraw/zinc/14/06/67/565140667.db2.gz AWQBEYZVAVRMEP-JTQLQIEISA-N 1 0 388.281 2.680 20 0 GFADRO CN(C(=O)NCC1CC[NH2+]CC1)[C@H]1CCOc2ccc(Br)cc21 ZINC000637173498 565142617 /nfs/dbraw/zinc/14/26/17/565142617.db2.gz CIFYHWXUIDKYSQ-HNNXBMFYSA-N 1 0 382.302 2.914 20 0 GFADRO O=C(NCC1CC[NH2+]CC1)N1CCc2[nH]c3ccc(Br)cc3c2C1 ZINC000637180750 565143128 /nfs/dbraw/zinc/14/31/28/565143128.db2.gz BYWHCMRMFACOFY-UHFFFAOYSA-N 1 0 391.313 2.998 20 0 GFADRO C[NH+](C)C[C@@H](NC(=O)NC[C@]1(C)CCC(=O)N1)c1ccc(Cl)c(Cl)c1 ZINC000637205125 565144151 /nfs/dbraw/zinc/14/41/51/565144151.db2.gz ALISYBKETPCPEA-PBHICJAKSA-N 1 0 387.311 2.564 20 0 GFADRO O=C(NCC1CC[NH2+]CC1)N1CCc2[nH]c3c(cccc3Br)c2C1 ZINC000637193441 565144948 /nfs/dbraw/zinc/14/49/48/565144948.db2.gz VTVOUCNAKNVKSF-UHFFFAOYSA-N 1 0 391.313 2.998 20 0 GFADRO COc1ccc(Br)cc1C(=O)N1CCC([N@@H+]2CCOC[C@H]2C)CC1 ZINC000615089451 565145479 /nfs/dbraw/zinc/14/54/79/565145479.db2.gz KBEZIFDLWNERKF-CYBMUJFWSA-N 1 0 397.313 2.783 20 0 GFADRO Cc1c(Br)cccc1NC(=O)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000589000649 565146580 /nfs/dbraw/zinc/14/65/80/565146580.db2.gz SNLISTQUZZYPEJ-CQSZACIVSA-N 1 0 394.313 2.783 20 0 GFADRO COc1ccc(Br)cc1C[C@@H](CO)C[NH2+][C@@H]1CCCn2nccc21 ZINC000658032095 565146731 /nfs/dbraw/zinc/14/67/31/565146731.db2.gz MMCVGNUKKIEHPZ-CZUORRHYSA-N 1 0 394.313 2.930 20 0 GFADRO O=C(NCC[NH2+][C@@H]1Cc2[nH]c3ccccc3c2C1)c1ccc(Br)cn1 ZINC000658091266 565149270 /nfs/dbraw/zinc/14/92/70/565149270.db2.gz CYNMQQLTBVHGSL-ZDUSSCGKSA-N 1 0 399.292 2.812 20 0 GFADRO C[N@@H+]1C[C@H]2CCN(C(=O)c3c(F)c(F)c(Br)c(F)c3F)[C@@H]2C1 ZINC000615187889 565151134 /nfs/dbraw/zinc/15/11/34/565151134.db2.gz RIERKCHGCXIDEJ-RNFRBKRXSA-N 1 0 381.167 2.782 20 0 GFADRO COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C ZINC000658127034 565152372 /nfs/dbraw/zinc/15/23/72/565152372.db2.gz UCCGVTBXQNSJSB-SNVBAGLBSA-N 1 0 388.295 2.930 20 0 GFADRO OCCO[C@@]1(C[NH2+][C@@H]2CCSc3ccc(Br)cc32)CCOC1 ZINC000658149557 565152879 /nfs/dbraw/zinc/15/28/79/565152879.db2.gz UASZNTAUFQYGLB-GDBMZVCRSA-N 1 0 388.327 2.744 20 0 GFADRO C[C@H]([NH2+]C[C@@]1(OCCO)CCOC1)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000658147827 565152973 /nfs/dbraw/zinc/15/29/73/565152973.db2.gz HGSKNBSPLOBOFL-DCGLDWPTSA-N 1 0 378.296 2.907 20 0 GFADRO CC(C)C[C@H](NC(=O)Cc1ccc(Cl)s1)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000615228676 565153551 /nfs/dbraw/zinc/15/35/51/565153551.db2.gz UCDPJEDVDYFMIT-HIFRSBDPSA-N 1 0 385.961 2.637 20 0 GFADRO NC(=O)CC[C@@H]1CCC[N@H+](C[C@H](O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000589189266 565154565 /nfs/dbraw/zinc/15/45/65/565154565.db2.gz NAHCOYCLOUFPDO-STQMWFEESA-N 1 0 375.296 2.711 20 0 GFADRO COc1ccc(NC(=O)Nc2cnn(CC[NH+](C)C)c2)c(Br)c1 ZINC000589201000 565155254 /nfs/dbraw/zinc/15/52/54/565155254.db2.gz OLHXNFDYMIMLCO-UHFFFAOYSA-N 1 0 382.262 2.860 20 0 GFADRO C[N@@H+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)c1cc(-c2ccc(Cl)s2)on1 ZINC000615261895 565155454 /nfs/dbraw/zinc/15/54/54/565155454.db2.gz FDDWIPSYPLMNJA-OLZOCXBDSA-N 1 0 381.885 2.992 20 0 GFADRO C[C@@H]([NH2+]C[C@H](CO)CC1CC1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000658254224 565156334 /nfs/dbraw/zinc/15/63/34/565156334.db2.gz QHYAZGUSGFIUKK-MWLCHTKSSA-N 1 0 381.325 2.700 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2ccc(F)c(Br)c2)C1 ZINC000658260281 565157561 /nfs/dbraw/zinc/15/75/61/565157561.db2.gz AAXURQVOPFRJEX-NSHDSACASA-N 1 0 386.265 2.516 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2c(F)cccc2Br)C1 ZINC000658262464 565157796 /nfs/dbraw/zinc/15/77/96/565157796.db2.gz UEZSYHAKFPKPKD-SNVBAGLBSA-N 1 0 386.265 2.516 20 0 GFADRO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)[C@H]1CCN(c2cc(Cl)ccc2Cl)C1=O ZINC000615310260 565158039 /nfs/dbraw/zinc/15/80/39/565158039.db2.gz VRXYQPUTBTUYJL-UXIGCNINSA-N 1 0 384.307 2.897 20 0 GFADRO CCN(C(=O)C(=O)Nc1cc(C)c(Br)c(C)c1)[C@H]1CC[N@H+](C)C1 ZINC000658361357 565160975 /nfs/dbraw/zinc/16/09/75/565160975.db2.gz LWDMWBGINQQPAX-AWEZNQCLSA-N 1 0 382.302 2.557 20 0 GFADRO C[NH2+]CC1CCN(S(=O)(=O)c2cc(Cl)ccc2OC(F)(F)F)CC1 ZINC000658365692 565161009 /nfs/dbraw/zinc/16/10/09/565161009.db2.gz CZLKBIKVZJMCBS-UHFFFAOYSA-N 1 0 386.823 2.859 20 0 GFADRO CCCOc1ccc(Br)cc1S(=O)(=O)NC[C@H]1CCC[NH2+]C1 ZINC000658364235 565161359 /nfs/dbraw/zinc/16/13/59/565161359.db2.gz DVSXYMUITZTSBN-LBPRGKRZSA-N 1 0 391.331 2.516 20 0 GFADRO O=S(=O)(N[C@@H]1CCC[NH2+]C1)c1cc(Cl)c(Cl)cc1Br ZINC000658362889 565161594 /nfs/dbraw/zinc/16/15/94/565161594.db2.gz GRJFWIBXAHYHKI-SSDOTTSWSA-N 1 0 388.114 2.786 20 0 GFADRO O=S(=O)(c1cc(Cl)ccc1OC(F)(F)F)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000658370624 565162750 /nfs/dbraw/zinc/16/27/50/565162750.db2.gz OFGOFPZPSKJZDY-MNOVXSKESA-N 1 0 384.807 2.754 20 0 GFADRO CCCOc1ccc(Br)cc1S(=O)(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000658370178 565163039 /nfs/dbraw/zinc/16/30/39/565163039.db2.gz CVOMKUZKNHHCAA-CHWSQXEVSA-N 1 0 391.331 2.786 20 0 GFADRO O=C(N[C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000637598626 565163580 /nfs/dbraw/zinc/16/35/80/565163580.db2.gz BANGESMBJZXQFG-ZYRRHWMLSA-N 1 0 388.309 2.743 20 0 GFADRO O=S(=O)(c1ccc(Br)s1)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000658384653 565165912 /nfs/dbraw/zinc/16/59/12/565165912.db2.gz GSXOVRFOVDJZGS-LBPRGKRZSA-N 1 0 393.372 2.911 20 0 GFADRO [NH3+]CCC[C@H](NS(=O)(=O)c1ncccc1Br)c1ccccc1 ZINC000658382039 565166045 /nfs/dbraw/zinc/16/60/45/565166045.db2.gz YWRFAQOENZNCCK-AWEZNQCLSA-N 1 0 384.299 2.603 20 0 GFADRO O=S(=O)(C[C@H]1CCCC1(F)F)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1 ZINC000658393025 565166957 /nfs/dbraw/zinc/16/69/57/565166957.db2.gz ZDGJLYAZLAZQSJ-KBMXLJTQSA-N 1 0 376.444 2.626 20 0 GFADRO O=S(=O)(C[C@@H]1CCCC1(F)F)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1 ZINC000658393024 565167163 /nfs/dbraw/zinc/16/71/63/565167163.db2.gz ZDGJLYAZLAZQSJ-BPUTZDHNSA-N 1 0 376.444 2.626 20 0 GFADRO [NH3+][C@@H]1CN(S(=O)(=O)c2ccc3ccccc3c2Br)CC[C@H]1F ZINC000658408280 565167895 /nfs/dbraw/zinc/16/78/95/565167895.db2.gz DGUOJPSUFIXHSZ-CHWSQXEVSA-N 1 0 387.274 2.662 20 0 GFADRO O=C(Cc1c(Cl)cccc1Br)NC[C@@H]1CCCC[N@H+]1CCO ZINC000615657811 565168608 /nfs/dbraw/zinc/16/86/08/565168608.db2.gz WYWGLSKTGHEFRK-LBPRGKRZSA-N 1 0 389.721 2.608 20 0 GFADRO COC(=O)c1cc(Br)cc(C(=O)N2CCC[C@H]([NH2+]C(C)C)C2)c1 ZINC000589696800 565168691 /nfs/dbraw/zinc/16/86/91/565168691.db2.gz DUPLNHGOOWLWBZ-HNNXBMFYSA-N 1 0 383.286 2.838 20 0 GFADRO C[C@@H](CCNC(=O)C(=O)Nc1ccccc1SCC(F)(F)F)[NH+](C)C ZINC000658419843 565169093 /nfs/dbraw/zinc/16/90/93/565169093.db2.gz BQFLYKMPOZHWTL-NSHDSACASA-N 1 0 377.432 2.736 20 0 GFADRO CCN(C(=O)C(=O)Nc1c(C)cc(C)cc1Br)[C@H]1CC[N@H+](CC)C1 ZINC000658469159 565171733 /nfs/dbraw/zinc/17/17/33/565171733.db2.gz WHADMTRWZVNINB-AWEZNQCLSA-N 1 0 396.329 2.947 20 0 GFADRO O=C(NCc1ccc(Cl)c(Cl)c1)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000658501260 565174459 /nfs/dbraw/zinc/17/44/59/565174459.db2.gz RFSMRGKAVHRGLE-CQSZACIVSA-N 1 0 384.307 2.696 20 0 GFADRO CC(C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)N(C)CC1C[NH+](C)C1 ZINC000658505195 565174645 /nfs/dbraw/zinc/17/46/45/565174645.db2.gz YODGEAKUXJWBTR-UHFFFAOYSA-N 1 0 386.323 2.750 20 0 GFADRO CC(C)CC[C@H]([NH3+])C(=O)NCc1nnc2c(Cl)cc(C(F)(F)F)cn12 ZINC000637896106 565175692 /nfs/dbraw/zinc/17/56/92/565175692.db2.gz QIOYPCBYRQQMMB-NSHDSACASA-N 1 0 377.798 2.781 20 0 GFADRO [NH3+]C[C@]1(C(=O)Nc2nnc(SCc3ccc(F)cc3)s2)CCCOC1 ZINC000637874722 565175766 /nfs/dbraw/zinc/17/57/66/565175766.db2.gz FPCUBKGMLNZBJW-MRXNPFEDSA-N 1 0 382.486 2.664 20 0 GFADRO C[C@H](NC(=O)C1=CC[C@@H]([NH3+])C1)c1nc(-c2ccc(Br)cc2)no1 ZINC000638046040 565182036 /nfs/dbraw/zinc/18/20/36/565182036.db2.gz XOGWLUYFBMGVMS-TVQRCGJNSA-N 1 0 377.242 2.724 20 0 GFADRO O=C(Nc1cccc(Br)c1)C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000658647513 565182003 /nfs/dbraw/zinc/18/20/03/565182003.db2.gz KNNAOJHXNPEYJR-HNNXBMFYSA-N 1 0 394.313 2.911 20 0 GFADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NCc1ccc(Cl)c(Cl)c1 ZINC000658701382 565183983 /nfs/dbraw/zinc/18/39/83/565183983.db2.gz WGMPPOBFEHVKKI-KGLIPLIRSA-N 1 0 384.307 2.695 20 0 GFADRO CC[NH+]1CCN(c2ccc(C(=O)Nc3n[nH]c(C)c3Br)cc2)CC1 ZINC000616010341 565184988 /nfs/dbraw/zinc/18/49/88/565184988.db2.gz LOYHXNYLYQHKKN-UHFFFAOYSA-N 1 0 392.301 2.875 20 0 GFADRO CCN(C(=O)C(=O)N(C)Cc1cc(Cl)cc(Cl)c1)[C@H]1CC[N@H+](CC)C1 ZINC000658829589 565189374 /nfs/dbraw/zinc/18/93/74/565189374.db2.gz NHNHFKRSJXCKBD-INIZCTEOSA-N 1 0 386.323 2.895 20 0 GFADRO C[N@@H+](Cc1ccccc1)C[C@H](N)C(=O)NCc1ccsc1Br ZINC000638282696 565190136 /nfs/dbraw/zinc/19/01/36/565190136.db2.gz UQUADYLNRVWXBU-AWEZNQCLSA-N 1 0 382.327 2.586 20 0 GFADRO O=C(CCC1C[NH2+]C1)NCc1cc(Br)ccc1Br ZINC000638277762 565190203 /nfs/dbraw/zinc/19/02/03/565190203.db2.gz CRYJCLOAHOYIHV-UHFFFAOYSA-N 1 0 376.092 2.827 20 0 GFADRO C[C@@H](NC(=O)c1ccc(I)cc1F)C1CC[NH+](C)CC1 ZINC000590638224 565194713 /nfs/dbraw/zinc/19/47/13/565194713.db2.gz GFTFJGBREGKEPF-SNVBAGLBSA-N 1 0 390.240 2.890 20 0 GFADRO C[C@H](Cn1cncn1)[NH2+][C@H]1CCN(C)[C@@H](c2ccc(Br)cc2)C1 ZINC000638431748 565196618 /nfs/dbraw/zinc/19/66/18/565196618.db2.gz VWKOBMRPYINXAC-XOKHGSTOSA-N 1 0 378.318 2.854 20 0 GFADRO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)Cc1c(Cl)cccc1Br ZINC000616341239 565198304 /nfs/dbraw/zinc/19/83/04/565198304.db2.gz MRZVDDKULXKYMY-RYUDHWBXSA-N 1 0 389.721 2.559 20 0 GFADRO [NH3+]Cc1ncc(C(=O)N2CC[C@H](Sc3ccc(Br)cc3)C2)cn1 ZINC000638473856 565198281 /nfs/dbraw/zinc/19/82/81/565198281.db2.gz NFJUMIBYNDDCOZ-AWEZNQCLSA-N 1 0 393.310 2.705 20 0 GFADRO CO[C@@H]1C[NH2+][C@@](C)(C(=O)N[C@H](C)c2cc(F)c(Br)cc2F)C1 ZINC000638496686 565198977 /nfs/dbraw/zinc/19/89/77/565198977.db2.gz ZWPJWJNTWHLHOK-CEFVDNRUSA-N 1 0 377.229 2.672 20 0 GFADRO C[C@H](NC(=O)COC1CC[NH2+]CC1)c1cc(F)c(Br)cc1F ZINC000638496670 565199225 /nfs/dbraw/zinc/19/92/25/565199225.db2.gz ZSFBWQVUBGDXME-VIFPVBQESA-N 1 0 377.229 2.673 20 0 GFADRO Cn1cc(CCC[NH2+]CCCNC(=O)c2ccc(Br)cc2)cn1 ZINC000638490385 565199444 /nfs/dbraw/zinc/19/94/44/565199444.db2.gz WYXUACCWRXZNHZ-UHFFFAOYSA-N 1 0 379.302 2.525 20 0 GFADRO CO[C@@H](C[NH2+]CCC(=O)Nc1ccc(Br)cc1)C1CCOCC1 ZINC000638491347 565199563 /nfs/dbraw/zinc/19/95/63/565199563.db2.gz HLBQZJCNWFSFBE-INIZCTEOSA-N 1 0 385.302 2.809 20 0 GFADRO [NH3+]C1(CNC(=O)C2(c3cccc(Br)c3)CCCC2)CCOCC1 ZINC000638538272 565200060 /nfs/dbraw/zinc/20/00/60/565200060.db2.gz LLSOCDCNVSFZOV-UHFFFAOYSA-N 1 0 381.314 2.885 20 0 GFADRO COc1cc(Br)ccc1[C@H]1CCCN1C(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000638532216 565200415 /nfs/dbraw/zinc/20/04/15/565200415.db2.gz KBJRQROQIMKRPK-GOEBONIOSA-N 1 0 397.313 2.890 20 0 GFADRO Cc1cc(Br)c(Cl)cc1NC(=O)C(=O)N[C@@H](C)CCCC[NH3+] ZINC000659084836 565200811 /nfs/dbraw/zinc/20/08/11/565200811.db2.gz PHMNMBBECCCZHH-JTQLQIEISA-N 1 0 390.709 2.983 20 0 GFADRO Cc1nc(CSc2ccccc2C(=O)NCC2([NH3+])CCOCC2)cs1 ZINC000638539187 565201356 /nfs/dbraw/zinc/20/13/56/565201356.db2.gz JEHHWONCRVXJQR-UHFFFAOYSA-N 1 0 377.535 2.982 20 0 GFADRO CC(C)(Cc1ccc(Br)cc1)[NH2+]Cc1ccc(S(N)(=O)=O)o1 ZINC000638575288 565202737 /nfs/dbraw/zinc/20/27/37/565202737.db2.gz ALPWFYCSWJHFHS-UHFFFAOYSA-N 1 0 387.299 2.800 20 0 GFADRO COCC[NH2+]CC(=O)N[C@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC000638597002 565204727 /nfs/dbraw/zinc/20/47/27/565204727.db2.gz VTQASNXKWRALOU-HNNXBMFYSA-N 1 0 380.286 2.660 20 0 GFADRO CC(C)[NH2+][C@H]1CCCN(C(=O)c2cc(Br)c3c(c2)OCCO3)C1 ZINC000590812962 565205629 /nfs/dbraw/zinc/20/56/29/565205629.db2.gz ZECGGAMYVKKLOU-ZDUSSCGKSA-N 1 0 383.286 2.823 20 0 GFADRO CCSc1ccc(CC(=O)N(C)CCOCC[NH3+])c(Br)c1 ZINC000638670273 565207004 /nfs/dbraw/zinc/20/70/04/565207004.db2.gz KUSPYZDRLGIPGE-UHFFFAOYSA-N 1 0 375.332 2.537 20 0 GFADRO O=C(NCCc1cc(Cl)cc(Cl)c1)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000590863811 565207415 /nfs/dbraw/zinc/20/74/15/565207415.db2.gz XZJZMRCGNOLGRD-SJORKVTESA-N 1 0 386.323 2.777 20 0 GFADRO C[C@@H](Cc1ccccc1Br)[NH2+]Cc1ccc(S(N)(=O)=O)s1 ZINC000638760856 565208919 /nfs/dbraw/zinc/20/89/19/565208919.db2.gz WIJFCRXXABDROU-JTQLQIEISA-N 1 0 389.340 2.879 20 0 GFADRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)Cc1ccc(Br)c(Br)c1 ZINC000659309871 565211711 /nfs/dbraw/zinc/21/17/11/565211711.db2.gz ZVPKQBLXUVXNJY-NOZJJQNGSA-N 1 0 390.119 2.868 20 0 GFADRO CN(C[C@@H](O)COc1cc(Cl)cc(Cl)c1)C(=O)CC[C@@H]1CC[NH2+]C1 ZINC000638828382 565212621 /nfs/dbraw/zinc/21/26/21/565212621.db2.gz SPJCCGMMNPEMNK-IUODEOHRSA-N 1 0 375.296 2.581 20 0 GFADRO CC1(C)C[NH2+][C@H]1C(=O)N1CC2(CCOCC2)c2ccc(Br)cc21 ZINC000638842445 565214074 /nfs/dbraw/zinc/21/40/74/565214074.db2.gz RJPLZNGJWIKOGH-HNNXBMFYSA-N 1 0 379.298 2.842 20 0 GFADRO O=C(C[C@H]1CSCC[NH2+]1)NCC1(Cc2ccc(Br)cc2)CC1 ZINC000659359178 565214206 /nfs/dbraw/zinc/21/42/06/565214206.db2.gz PMHYGDXDEHFCCV-HNNXBMFYSA-N 1 0 383.355 2.983 20 0 GFADRO O=C([C@H]1C[NH2+]CCC1(F)F)N1CCOC[C@H]1c1ccc(Br)cc1 ZINC000659358006 565214246 /nfs/dbraw/zinc/21/42/46/565214246.db2.gz FLWSGZKEQTWQML-KGLIPLIRSA-N 1 0 389.240 2.594 20 0 GFADRO [NH3+]C1CCC(OCC(=O)N2CCOC[C@H]2c2ccc(Br)cc2)CC1 ZINC000659358922 565214745 /nfs/dbraw/zinc/21/47/45/565214745.db2.gz PZPACNVARVXYRE-JCYILVPMSA-N 1 0 397.313 2.636 20 0 GFADRO [NH3+][C@@H]1CN(C(=O)COc2ccc3cc(Br)ccc3c2)CC[C@H]1F ZINC000659389140 565215562 /nfs/dbraw/zinc/21/55/62/565215562.db2.gz KEUJBTIDJZTVFU-HZPDHXFCSA-N 1 0 381.245 2.879 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C(=O)N1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000638900171 565216324 /nfs/dbraw/zinc/21/63/24/565216324.db2.gz RPVXUEQJDCWXIZ-DGCLKSJQSA-N 1 0 377.286 2.610 20 0 GFADRO NS(=O)(=O)c1ccc(C(=O)Nc2cccc(C[NH+]3CCCCC3)c2)s1 ZINC000591131096 565217842 /nfs/dbraw/zinc/21/78/42/565217842.db2.gz ALSNXILLYVSIGD-UHFFFAOYSA-N 1 0 379.507 2.634 20 0 GFADRO CO[C@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)N1CC2CC1(C[NH3+])C2 ZINC000659478828 565218188 /nfs/dbraw/zinc/21/81/88/565218188.db2.gz USNWZWIJUCJYDV-MRNPNLAOSA-N 1 0 382.302 2.658 20 0 GFADRO C[C@@H](Cc1ccc(F)c(Br)c1)NC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000659470885 565218267 /nfs/dbraw/zinc/21/82/67/565218267.db2.gz IVNYOIUQMYBBNU-CUOATXAZSA-N 1 0 376.245 2.600 20 0 GFADRO CC1(CNC(=O)N2CCOc3cc(Br)ccc3C2)CC[NH2+]CC1 ZINC000659531280 565219117 /nfs/dbraw/zinc/21/91/17/565219117.db2.gz ZEAOUPJEPQHNEO-UHFFFAOYSA-N 1 0 382.302 2.743 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)c1cc(=O)c2cc(Br)ccc2[nH]1 ZINC000617013568 565219166 /nfs/dbraw/zinc/21/91/66/565219166.db2.gz WWIGISLCAFTVIR-LBPRGKRZSA-N 1 0 392.297 2.893 20 0 GFADRO C[C@@]1(CNC(=O)N2CCOC[C@@H]2c2ccc(Br)cc2)CCC[NH2+]C1 ZINC000659530361 565219295 /nfs/dbraw/zinc/21/92/95/565219295.db2.gz QFUQMTKHZZFUGB-SJLPKXTDSA-N 1 0 396.329 2.922 20 0 GFADRO CC[C@@H](Cc1ccc(Br)cc1)NC(=O)NC[C@]1(COC)CCC[NH2+]1 ZINC000659542390 565219809 /nfs/dbraw/zinc/21/98/09/565219809.db2.gz NSVJXFQFNRZSQV-WMZOPIPTSA-N 1 0 398.345 2.838 20 0 GFADRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)N2CCOC[C@@H]2c2ccc(Br)cc2)C1 ZINC000659555285 565219820 /nfs/dbraw/zinc/21/98/20/565219820.db2.gz PSGMUPUXDKICPQ-DAXOMENPSA-N 1 0 382.302 2.659 20 0 GFADRO O=C(c1cc(=O)c2cc(Br)ccc2[nH]1)N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000639026063 565220909 /nfs/dbraw/zinc/22/09/09/565220909.db2.gz XDMCYOOYCQPGKB-BDJLRTHQSA-N 1 0 390.281 2.505 20 0 GFADRO C[C@H]([NH3+])CNC(=O)Nc1cc(I)ccc1Br ZINC000591284893 565221208 /nfs/dbraw/zinc/22/12/08/565221208.db2.gz OKWYOXOENDFMPK-LURJTMIESA-N 1 0 398.042 2.522 20 0 GFADRO CC(C)[C@H]([NH3+])CCNC(=O)N1CCN(c2cccc(Br)c2)CC1 ZINC000659620703 565221459 /nfs/dbraw/zinc/22/14/59/565221459.db2.gz OOQMXORFEZGDOX-MRXNPFEDSA-N 1 0 383.334 2.654 20 0 GFADRO O=C(Cc1cccc(Br)c1)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000617112944 565221931 /nfs/dbraw/zinc/22/19/31/565221931.db2.gz PYPCSZVEAAQLOQ-UHFFFAOYSA-N 1 0 395.341 2.999 20 0 GFADRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)Nc3ccc(F)cc3I)C[C@H]12 ZINC000591288404 565221946 /nfs/dbraw/zinc/22/19/46/565221946.db2.gz CUSMGLADXQSUAS-PTOFAABTSA-N 1 0 389.212 2.631 20 0 GFADRO C[N@H+](Cc1ccc(S(N)(=O)=O)s1)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000639043969 565222062 /nfs/dbraw/zinc/22/20/62/565222062.db2.gz DBZKQKIILWJNQJ-GDBMZVCRSA-N 1 0 384.498 2.887 20 0 GFADRO COc1ccc(NC(=O)N2CCC(C)([NH3+])CC2)c(I)c1 ZINC000591302033 565222815 /nfs/dbraw/zinc/22/28/15/565222815.db2.gz BTODLAZTWUGAQH-UHFFFAOYSA-N 1 0 389.237 2.645 20 0 GFADRO COc1cc(I)ccc1NC(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000591308176 565224024 /nfs/dbraw/zinc/22/40/24/565224024.db2.gz HUUAWLBPSAMYEJ-LLVKDONJSA-N 1 0 389.237 2.563 20 0 GFADRO CC(C)(CO)[C@H]([NH2+]Cc1ccc(Cl)c(S(N)(=O)=O)c1)c1ccccc1 ZINC000639110574 565225906 /nfs/dbraw/zinc/22/59/06/565225906.db2.gz PLMPNQRPAYUTNL-QGZVFWFLSA-N 1 0 382.913 2.837 20 0 GFADRO CCn1ncnc1C[NH2+][C@@H]1CCN(C)[C@H](c2ccc(Br)cc2)C1 ZINC000639125108 565227251 /nfs/dbraw/zinc/22/72/51/565227251.db2.gz OXRSLIHSUKGCPG-CVEARBPZSA-N 1 0 378.318 2.986 20 0 GFADRO O=C1C[C@H]([NH2+][C@@H](CO)c2ccc(Br)cc2C(F)(F)F)CCCN1 ZINC000639127157 565227456 /nfs/dbraw/zinc/22/74/56/565227456.db2.gz OQVZIWKCWYHPLQ-MFKMUULPSA-N 1 0 395.219 2.760 20 0 GFADRO COc1nsc(CN2CCN(c3cc[nH+]cc3OC)CC2)c1Br ZINC000639127129 565227744 /nfs/dbraw/zinc/22/77/44/565227744.db2.gz OEKOBVMSGRKURP-UHFFFAOYSA-N 1 0 399.314 2.640 20 0 GFADRO [NH3+][C@@H]1CCC[C@H]2CN(c3ncnc4ccc(I)cc43)C[C@@H]21 ZINC000591434891 565229763 /nfs/dbraw/zinc/22/97/63/565229763.db2.gz KDZFTQIDDFYJLN-LEWSCRJBSA-N 1 0 394.260 2.798 20 0 GFADRO CNC(=O)CC[C@H]1CCCCN1Cc1snc(OC)c1Br ZINC000639165666 565230605 /nfs/dbraw/zinc/23/06/05/565230605.db2.gz PIIULBLDZOAZDJ-SNVBAGLBSA-N 1 0 376.320 2.795 20 0 GFADRO C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+]1CCC[C@H](CCO)C1 ZINC000591472002 565230783 /nfs/dbraw/zinc/23/07/83/565230783.db2.gz FYWHMFHGMJFMFS-HUUCEWRRSA-N 1 0 383.330 2.890 20 0 GFADRO COCCC[C@@H](C[NH2+]Cc1ccc(S(N)(=O)=O)o1)c1ccc(Cl)cc1 ZINC000639157859 565230735 /nfs/dbraw/zinc/23/07/35/565230735.db2.gz RPJYTHWAFMUBAR-AWEZNQCLSA-N 1 0 386.901 2.880 20 0 GFADRO O=C1CCCN1C1CC[NH+](C[C@@H](O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000591475401 565231350 /nfs/dbraw/zinc/23/13/50/565231350.db2.gz RNWRAGGASPLZND-CQSZACIVSA-N 1 0 387.307 2.820 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)c2cc(=O)c3cc(Br)ccc3[nH]2)C1 ZINC000617349451 565233492 /nfs/dbraw/zinc/23/34/92/565233492.db2.gz OUTGAFTZZHUBHU-LBPRGKRZSA-N 1 0 392.297 2.893 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)c2ccc(Br)cc2-n2cncn2)C1 ZINC000617346243 565233873 /nfs/dbraw/zinc/23/38/73/565233873.db2.gz QFZVGNPYDMLLCE-ZDUSSCGKSA-N 1 0 392.301 2.632 20 0 GFADRO COC[C@](C)(O)CC[NH2+][C@@H]1CCN(C)[C@@H](c2ccc(Br)cc2)C1 ZINC000639217015 565234192 /nfs/dbraw/zinc/23/41/92/565234192.db2.gz CXKQHOMCBNDOCI-KZNAEPCWSA-N 1 0 385.346 2.962 20 0 GFADRO CO[C@H](C[NH2+]C[C@@H](CO)Cc1ccc(C)c(Br)c1)[C@H]1CCOC1 ZINC000639245887 565234955 /nfs/dbraw/zinc/23/49/55/565234955.db2.gz NHMRFPVWWNUEOU-XYJFISCASA-N 1 0 386.330 2.550 20 0 GFADRO O=C(Cc1ccc(I)cc1)Nc1cnc2c(c1)C[NH2+]CC2 ZINC000591681428 565236203 /nfs/dbraw/zinc/23/62/03/565236203.db2.gz VHMAKUUMRCYYFZ-UHFFFAOYSA-N 1 0 393.228 2.513 20 0 GFADRO CO[C@H](C[NH+]1CCN(Cc2ccc(Br)cc2)CC1)[C@@H]1CCOC1 ZINC000660011910 565238750 /nfs/dbraw/zinc/23/87/50/565238750.db2.gz ZYAINGMFPGAPKD-SJLPKXTDSA-N 1 0 383.330 2.618 20 0 GFADRO CCC[N@@H+]1CC[C@@H](NS(=O)(=O)c2ccc(Cl)cc2Br)C1 ZINC000660026795 565240218 /nfs/dbraw/zinc/24/02/18/565240218.db2.gz JRCLYIAAXBIZIM-LLVKDONJSA-N 1 0 381.723 2.865 20 0 GFADRO Brc1cnc2c(C[NH2+]C[C@H]3CCN3Cc3ccccc3)cnn2c1 ZINC000639332274 565240556 /nfs/dbraw/zinc/24/05/56/565240556.db2.gz HLWXKSQXXFJQKA-QGZVFWFLSA-N 1 0 386.297 2.856 20 0 GFADRO C[NH+](C)C[C@@H](NCc1ccc(S(N)(=O)=O)o1)c1ccc(Cl)c(Cl)c1 ZINC000639352118 565240611 /nfs/dbraw/zinc/24/06/11/565240611.db2.gz NCQSJRUKNYCNQJ-CQSZACIVSA-N 1 0 392.308 2.626 20 0 GFADRO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)c1c[nH]c2ccc(Br)cc12 ZINC000617504046 565242102 /nfs/dbraw/zinc/24/21/02/565242102.db2.gz GFKUSXXLKGDNPF-ZDUSSCGKSA-N 1 0 395.345 2.932 20 0 GFADRO C[N@H+](C[C@H](O)COc1cc(Cl)cc(Cl)c1)C[C@H]1CNc2ccnn2C1 ZINC000639359329 565242776 /nfs/dbraw/zinc/24/27/76/565242776.db2.gz CQJDHJYQXLCVQU-DOMZBBRYSA-N 1 0 385.295 2.603 20 0 GFADRO [NH2+]=C1Nc2nc3ccccc3n2[C@@H](c2cnc3ccc(Br)cn32)N1 ZINC000639405664 565244109 /nfs/dbraw/zinc/24/41/09/565244109.db2.gz DYPSFIICUXAVRS-AWEZNQCLSA-N 1 0 382.225 2.943 20 0 GFADRO Cc1csc(C(=O)N[C@@H](C)CN(C)CCC[NH+](C)C)c1Br ZINC000617507259 565244384 /nfs/dbraw/zinc/24/43/84/565244384.db2.gz OQJQSUDGSJEPPD-LBPRGKRZSA-N 1 0 376.364 2.821 20 0 GFADRO CCN(C(=O)C1CCN(C(=O)c2ccc(Cl)s2)CC1)[C@@H]1CC[N@H+](C)C1 ZINC000617557061 565247280 /nfs/dbraw/zinc/24/72/80/565247280.db2.gz CYGAZTVSQDEAHZ-CQSZACIVSA-N 1 0 383.945 2.806 20 0 GFADRO COc1ncc(Br)cc1CN(C)[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000660082933 565249132 /nfs/dbraw/zinc/24/91/32/565249132.db2.gz OVQURQBOHAXURL-ZIAGYGMSSA-N 1 0 391.331 2.640 20 0 GFADRO C[C@H]([NH2+]C[C@H]1CCc2ncnn21)c1cc2c(cc1Br)OCCO2 ZINC000639562149 565250948 /nfs/dbraw/zinc/25/09/48/565250948.db2.gz SGNLXDDADBUQEP-WDEREUQCSA-N 1 0 379.258 2.650 20 0 GFADRO C[C@@H]([NH2+]CCc1cnccn1)c1ccc(Br)cc1OCCCO ZINC000639651844 565253681 /nfs/dbraw/zinc/25/36/81/565253681.db2.gz JFWQOJHCUXETSO-CYBMUJFWSA-N 1 0 380.286 2.894 20 0 GFADRO O=C(Nc1ccc(Br)cc1F)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000617736630 565255832 /nfs/dbraw/zinc/25/58/32/565255832.db2.gz CQPACGLFGGIFOI-CYBMUJFWSA-N 1 0 398.276 2.614 20 0 GFADRO COCC[N@@H+]1CCC[C@H](NC(=O)CCc2ccc(Br)cc2F)C1 ZINC000592098026 565256078 /nfs/dbraw/zinc/25/60/78/565256078.db2.gz WFNOFOSGQJDMGN-HNNXBMFYSA-N 1 0 387.293 2.748 20 0 GFADRO O=C(Nc1ccc(F)cc1Br)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000617738930 565257006 /nfs/dbraw/zinc/25/70/06/565257006.db2.gz UZWXBSQWMZPKFE-ZDUSSCGKSA-N 1 0 398.276 2.614 20 0 GFADRO CN(CCC[NH+](C)C)CCNC(=O)c1ccc(Br)c(Cl)c1F ZINC000617764166 565257527 /nfs/dbraw/zinc/25/75/27/565257527.db2.gz LKVHMWRSHXWTTA-UHFFFAOYSA-N 1 0 394.716 2.855 20 0 GFADRO CCOC(=O)c1cn(CC[C@@H]2CC[NH2+]C2)c2cc(Br)ccc2c1=O ZINC000592159753 565260836 /nfs/dbraw/zinc/26/08/36/565260836.db2.gz FMKMBNFMVKROFN-LBPRGKRZSA-N 1 0 393.281 2.940 20 0 GFADRO O=S(=O)(NCC1CC[NH+](CC2CC2)CC1)c1ccc(Br)s1 ZINC000660155096 565260844 /nfs/dbraw/zinc/26/08/44/565260844.db2.gz LOPOQKXVNGDXKG-UHFFFAOYSA-N 1 0 393.372 2.911 20 0 GFADRO C[NH+](C)CCC[C@@H]1CN(S(=O)(=O)c2cc(Cl)cc(Cl)c2)CCO1 ZINC000660159347 565261794 /nfs/dbraw/zinc/26/17/94/565261794.db2.gz SVLQOBPUPBNKIF-CQSZACIVSA-N 1 0 381.325 2.725 20 0 GFADRO Brc1cc(C[N@@H+]2CCC[C@@H](n3ccnn3)CC2)cc2c1OCO2 ZINC000639815170 565263621 /nfs/dbraw/zinc/26/36/21/565263621.db2.gz BPHOWMVIVNCQHE-CYBMUJFWSA-N 1 0 379.258 2.997 20 0 GFADRO O=C1CCCN1C[C@@H]1CC[N@@H+](C[C@H](O)COc2cc(Cl)cc(Cl)c2)C1 ZINC000639862586 565266373 /nfs/dbraw/zinc/26/63/73/565266373.db2.gz MKWZIIPETWXTCJ-CJNGLKHVSA-N 1 0 387.307 2.677 20 0 GFADRO CCN(C(=O)CCNC(=O)c1ccc(Br)cc1)[C@H]1CC[N@H+](CC)C1 ZINC000617933042 565268147 /nfs/dbraw/zinc/26/81/47/565268147.db2.gz DVVCLFHKDBLPJD-INIZCTEOSA-N 1 0 396.329 2.512 20 0 GFADRO COC[C@@](C)(CO)[NH2+]CC(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000639956522 565269166 /nfs/dbraw/zinc/26/91/66/565269166.db2.gz XVJFSJDCKMEUFG-NVXWUHKLSA-N 1 0 375.296 2.644 20 0 GFADRO CC[C@@H]1CN(C(=O)c2cc(F)c(F)cc2I)CC[C@@H]1[NH3+] ZINC000592332894 565270258 /nfs/dbraw/zinc/27/02/58/565270258.db2.gz RDCJGJQHBGTKED-OQPBUACISA-N 1 0 394.203 2.769 20 0 GFADRO COc1cc(NC(=O)N2CCC[C@H]([NH+]3CCCC3)C2)ncc1Br ZINC000639963760 565270762 /nfs/dbraw/zinc/27/07/62/565270762.db2.gz LWTWJYZRMUJZJK-LBPRGKRZSA-N 1 0 383.290 2.945 20 0 GFADRO COc1cc(NC(=O)N2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)ncc1Br ZINC000639965896 565270872 /nfs/dbraw/zinc/27/08/72/565270872.db2.gz VDPTWVONWDQYKV-WCQYABFASA-N 1 0 383.290 2.943 20 0 GFADRO C[C@@H](C(=O)Nc1cccc(Br)c1)[NH+]1CCC(CCO)(CCO)CC1 ZINC000640012609 565274242 /nfs/dbraw/zinc/27/42/42/565274242.db2.gz DITMOKCVZXDVHI-AWEZNQCLSA-N 1 0 399.329 2.623 20 0 GFADRO C[C@H](C(=O)Nc1cccc(Br)c1)[NH+]1CCC(CCO)(CCO)CC1 ZINC000640012611 565274351 /nfs/dbraw/zinc/27/43/51/565274351.db2.gz DITMOKCVZXDVHI-CQSZACIVSA-N 1 0 399.329 2.623 20 0 GFADRO OC[C@@H]1C[N@H+](C[C@H](O)COc2cc(Cl)cc(Cl)c2)C[C@H]1C(F)(F)F ZINC000640046002 565276212 /nfs/dbraw/zinc/27/62/12/565276212.db2.gz QQEKQFHGNJQKFW-DUFXMDAXSA-N 1 0 388.213 2.836 20 0 GFADRO C[NH2+]CCCNC(=O)C[C@@H](C)CCc1ccc(I)cc1 ZINC000592460505 565277589 /nfs/dbraw/zinc/27/75/89/565277589.db2.gz MMANHJPQXOWHKD-ZDUSSCGKSA-N 1 0 388.293 2.976 20 0 GFADRO [NH3+]C[C@@H]1CCCn2ncc(C(=O)NCc3nc4cc(Cl)ccc4s3)c21 ZINC000592504836 565279892 /nfs/dbraw/zinc/27/98/92/565279892.db2.gz AENAQTOJWBVCNO-JTQLQIEISA-N 1 0 375.885 2.912 20 0 GFADRO [NH3+]C[C@H]1CCCn2ncc(C(=O)NC3(c4ccc(Br)cc4)CC3)c21 ZINC000592498974 565279903 /nfs/dbraw/zinc/27/99/03/565279903.db2.gz MRFWGHBAFOJTGV-GFCCVEGCSA-N 1 0 389.297 2.901 20 0 GFADRO [NH3+]C[C@@H]1CCCn2ncc(C(=O)NCCc3ccc(F)c(Br)c3)c21 ZINC000592501278 565280000 /nfs/dbraw/zinc/28/00/00/565280000.db2.gz QVVAFAMQLBFCBX-LBPRGKRZSA-N 1 0 395.276 2.593 20 0 GFADRO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@@H+]2CC(=O)c1c[nH]c2ncc(Br)cc12 ZINC000660541825 565281178 /nfs/dbraw/zinc/28/11/78/565281178.db2.gz XBBAYHOBHIPOTO-OORQEUNZSA-N 1 0 390.281 2.863 20 0 GFADRO CC(C)[NH2+]C1(CO)CCN(Cc2ncc(Br)cc2Cl)CC1 ZINC000660677286 565287726 /nfs/dbraw/zinc/28/77/26/565287726.db2.gz QQMFSLPIXUUDPN-UHFFFAOYSA-N 1 0 376.726 2.822 20 0 GFADRO O=C(Nc1nn(CC(F)(F)F)cc1Cl)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000640291472 565294231 /nfs/dbraw/zinc/29/42/31/565294231.db2.gz BSDTXTRTLVVIND-LLVKDONJSA-N 1 0 379.814 3.191 20 0 GFADRO C[C@H](CNC(=O)Nc1nn(CC(F)(F)F)cc1Cl)C[NH+]1CCCCC1 ZINC000640292863 565294355 /nfs/dbraw/zinc/29/43/55/565294355.db2.gz PHUVPUMXGAFERG-LLVKDONJSA-N 1 0 381.830 3.342 20 0 GFADRO COCC[N@H+](C)CCCNC(=O)N1Cc2ccc(C)c(Br)c2C1 ZINC000660827454 565295045 /nfs/dbraw/zinc/29/50/45/565295045.db2.gz LZCYRFVXCMYWES-UHFFFAOYSA-N 1 0 384.318 2.751 20 0 GFADRO CCCN(C(=O)c1ccc(I)c(O)c1)[C@@H]1CC[N@H+](C)C1 ZINC000592829698 565299038 /nfs/dbraw/zinc/29/90/38/565299038.db2.gz VRCMOLMNMRFSSY-GFCCVEGCSA-N 1 0 388.249 2.553 20 0 GFADRO CCCN(C(=O)Cc1ccccc1I)[C@H]1CC[N@H+](C)C1 ZINC000592828767 565300218 /nfs/dbraw/zinc/30/02/18/565300218.db2.gz JKDBBIWCPVTRHV-AWEZNQCLSA-N 1 0 386.277 2.776 20 0 GFADRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)Nc2nn(C)cc2Br)C1 ZINC000640327779 565303138 /nfs/dbraw/zinc/30/31/38/565303138.db2.gz SOQPZHFVLOLGKZ-UONOGXRCSA-N 1 0 398.349 3.301 20 0 GFADRO O=C(C[NH2+][C@H](C1CC1)C1(CO)CCOCC1)Nc1ccc(Br)cc1 ZINC000661079645 565305924 /nfs/dbraw/zinc/30/59/24/565305924.db2.gz HLAMVIVDDFVAIL-QGZVFWFLSA-N 1 0 397.313 2.545 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)NCC(=O)Nc2ccc(Br)cc2)C1 ZINC000661508055 565327077 /nfs/dbraw/zinc/32/70/77/565327077.db2.gz MYTSAIPYCFKFMJ-CQSZACIVSA-N 1 0 397.317 2.560 20 0 GFADRO C[C@@H](C(=O)N1CCCCC1)n1cc([C@H]([NH3+])c2ccc(Br)cc2)nn1 ZINC000640806282 565328473 /nfs/dbraw/zinc/32/84/73/565328473.db2.gz BRFVGCKTQBKKMI-BLLLJJGKSA-N 1 0 392.301 2.662 20 0 GFADRO C[C@H](C(=O)N1CCCCC1)n1cc([C@H]([NH3+])c2ccc(Br)cc2)nn1 ZINC000640806284 565328581 /nfs/dbraw/zinc/32/85/81/565328581.db2.gz BRFVGCKTQBKKMI-MLGOLLRUSA-N 1 0 392.301 2.662 20 0 GFADRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)CCn2cc(Br)cn2)C1 ZINC000619166710 565331066 /nfs/dbraw/zinc/33/10/66/565331066.db2.gz AFHLQJVBNWRIMD-WMLDXEAASA-N 1 0 391.313 2.987 20 0 GFADRO C[C@@H]1C[C@@H](Nc2ncnc3cc(I)sc32)CC[N@@H+]1C ZINC000593464239 565332525 /nfs/dbraw/zinc/33/25/25/565332525.db2.gz HNCFVTLEZHTLCS-BDAKNGLRSA-N 1 0 388.278 3.191 20 0 GFADRO CCC(CC)NC(=O)[C@@H](C)n1cc([C@@H]([NH3+])c2ccc(Br)cc2)nn1 ZINC000640906351 565335932 /nfs/dbraw/zinc/33/59/32/565335932.db2.gz HHGWQQLBECLDQN-BZNIZROVSA-N 1 0 394.317 2.955 20 0 GFADRO Cc1cc(NC(=O)[C@@H](C)n2cc(CCCC[NH3+])nn2)ccc1Br ZINC000640907433 565336534 /nfs/dbraw/zinc/33/65/34/565336534.db2.gz RNZIEYQUNHKUTB-GFCCVEGCSA-N 1 0 380.290 2.830 20 0 GFADRO C[C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)n1cc([C@H]([NH3+])[C@@H]2CCCO2)nn1 ZINC000640921783 565337376 /nfs/dbraw/zinc/33/73/76/565337376.db2.gz CWPWEVXSBRTBQQ-NKZPBKNFSA-N 1 0 384.267 2.963 20 0 GFADRO CN(CCC[NH3+])Cc1cn(Cc2csc(-c3ccc(Cl)cc3)n2)nn1 ZINC000640952727 565338663 /nfs/dbraw/zinc/33/86/63/565338663.db2.gz MSOAHNRGSWKFKF-UHFFFAOYSA-N 1 0 376.917 2.884 20 0 GFADRO Cc1[nH]nc(NC(=O)C2(C[NH+](C)C)CC2)c1-c1ccc(Br)cc1 ZINC000640943430 565338699 /nfs/dbraw/zinc/33/86/99/565338699.db2.gz NJXTZHKNLYLADR-UHFFFAOYSA-N 1 0 377.286 3.428 20 0 GFADRO CC(C)[C@H]([NH3+])c1cn(Cc2noc(Cc3ccc(Br)cc3)n2)nn1 ZINC000641040905 565342358 /nfs/dbraw/zinc/34/23/58/565342358.db2.gz GAJZYJKBTRKFNM-INIZCTEOSA-N 1 0 391.273 2.719 20 0 GFADRO CCC[N@@H+]1CC[C@@H](NC(=O)NCc2cn3cc(Br)cc(C)c3n2)C1 ZINC000661947765 565344155 /nfs/dbraw/zinc/34/41/55/565344155.db2.gz CZIWAVFFKKUTHR-CQSZACIVSA-N 1 0 394.317 2.689 20 0 GFADRO Brc1cccc(-c2cnc(Cn3cc(C[C@@H]4CC[NH2+]C4)nn3)o2)c1 ZINC000641072432 565344417 /nfs/dbraw/zinc/34/44/17/565344417.db2.gz IBIMKQQAYIZBQC-LBPRGKRZSA-N 1 0 388.269 2.896 20 0 GFADRO CCOC(=O)C(C)(C)CCC[C@H](C)[NH2+]C1CCN(S(=O)(=O)CC)CC1 ZINC000593589083 565344778 /nfs/dbraw/zinc/34/47/78/565344778.db2.gz RKASZFDIQXJHDB-HNNXBMFYSA-N 1 0 376.563 2.538 20 0 GFADRO CC[NH2+]Cc1ccn(Cc2cn(Cc3ccc(C)cc3Br)nn2)n1 ZINC000641100228 565344996 /nfs/dbraw/zinc/34/49/96/565344996.db2.gz HAYNMFIZFLZLIX-UHFFFAOYSA-N 1 0 389.301 2.752 20 0 GFADRO C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+]1CC[C@H]2COC[C@H]2C1 ZINC000662042200 565346359 /nfs/dbraw/zinc/34/63/59/565346359.db2.gz XPKPUTUKSMOERU-VNQPRFMTSA-N 1 0 381.314 2.764 20 0 GFADRO Clc1ccc(-n2cc(Cn3cc([C@H]4CCC[NH2+]C4)nn3)nn2)cc1Cl ZINC000641111730 565346853 /nfs/dbraw/zinc/34/68/53/565346853.db2.gz TXYYHNCXANAEMN-NSHDSACASA-N 1 0 378.267 2.681 20 0 GFADRO FC(F)Oc1c(Br)cccc1Cn1cc(C[C@@H]2CC[NH2+]C2)nn1 ZINC000641122927 565348825 /nfs/dbraw/zinc/34/88/25/565348825.db2.gz NGZVSMJGKPVGLN-JTQLQIEISA-N 1 0 387.228 2.842 20 0 GFADRO CC[NH2+]Cc1ccn(Cc2cn(Cc3ccc(Br)c(C)c3)nn2)n1 ZINC000641130247 565349335 /nfs/dbraw/zinc/34/93/35/565349335.db2.gz ULWRNDFFEQSHLN-UHFFFAOYSA-N 1 0 389.301 2.752 20 0 GFADRO Cc1nnc([C@H](C)n2cc([C@@H]([NH3+])c3ccc(Br)cc3)nn2)s1 ZINC000641143944 565349665 /nfs/dbraw/zinc/34/96/65/565349665.db2.gz DXWGQTYCJWLLHB-SDBXPKJASA-N 1 0 379.287 2.858 20 0 GFADRO C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000662153435 565351656 /nfs/dbraw/zinc/35/16/56/565351656.db2.gz BJWAJBJEAMXYDW-DOMZBBRYSA-N 1 0 386.323 2.851 20 0 GFADRO [NH3+][C@@H](c1cn(Cc2ccc(Br)c(F)c2F)nn1)C1CCOCC1 ZINC000641170377 565352378 /nfs/dbraw/zinc/35/23/78/565352378.db2.gz ZQFBULSQFUKHIA-OAHLLOKOSA-N 1 0 387.228 2.794 20 0 GFADRO O[C@H](COc1ccc(Cl)c(Cl)c1)Cn1cc(C[C@@H]2CCC[NH2+]C2)nn1 ZINC000641206266 565354531 /nfs/dbraw/zinc/35/45/31/565354531.db2.gz RELXUJWHAOJHEN-JSGCOSHPSA-N 1 0 385.295 2.567 20 0 GFADRO CC[C@H](c1ccc(Br)cc1)N1CCN(C[C@@H]2C[NH2+]CCO2)CC1 ZINC000662262234 565358235 /nfs/dbraw/zinc/35/82/35/565358235.db2.gz UJCYJJHVMZHGLN-ZWKOTPCHSA-N 1 0 382.346 2.506 20 0 GFADRO CN(C(=O)Cc1ccc(Br)c(Br)c1)[C@H](C[NH3+])C1CC1 ZINC000662570271 565376994 /nfs/dbraw/zinc/37/69/94/565376994.db2.gz AKMYKVYNQZTPJT-CYBMUJFWSA-N 1 0 390.119 2.950 20 0 GFADRO COC(=O)c1cc(Br)ccc1NC(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000593764033 565359194 /nfs/dbraw/zinc/35/91/94/565359194.db2.gz OYDSESMRHVTROQ-GTNSWQLSSA-N 1 0 396.285 2.828 20 0 GFADRO [NH3+]C[C@@H]1CCc2ccccc2N1Cc1nnnn1-c1ccccc1Br ZINC000662304478 565359273 /nfs/dbraw/zinc/35/92/73/565359273.db2.gz KBACSXRPEOEZCM-AWEZNQCLSA-N 1 0 399.296 2.705 20 0 GFADRO COc1cc(I)ccc1NC(=O)NCCC1(C[NH3+])CC1 ZINC000593760742 565359628 /nfs/dbraw/zinc/35/96/28/565359628.db2.gz KKAPDJPTPCMUDE-UHFFFAOYSA-N 1 0 389.237 2.550 20 0 GFADRO CCC[N@@H+]1CC[C@H](NC(=O)c2ccn(-c3cccc(Br)c3)n2)C1 ZINC000619897907 565362661 /nfs/dbraw/zinc/36/26/61/565362661.db2.gz FYYGZEDEUIDYQU-AWEZNQCLSA-N 1 0 377.286 2.849 20 0 GFADRO CCC[N@@H+]1CC[C@@H](NC(=O)COc2ccc(Br)cc2C(C)=O)C1 ZINC000619904589 565363759 /nfs/dbraw/zinc/36/37/59/565363759.db2.gz OARJGLMKGUSAPO-CQSZACIVSA-N 1 0 383.286 2.631 20 0 GFADRO O=C(c1sc2c(c1Br)CNC2)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000662396954 565364122 /nfs/dbraw/zinc/36/41/22/565364122.db2.gz QLWDVXRAMFUMQT-LLVKDONJSA-N 1 0 384.343 2.814 20 0 GFADRO C[C@@H](Cc1cccc(Br)c1)NC(=O)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC000662410788 565366644 /nfs/dbraw/zinc/36/66/44/565366644.db2.gz OLLCDMNSCFRVGS-AAEUAGOBSA-N 1 0 377.286 2.610 20 0 GFADRO COc1cc(Br)c(CNC(=O)c2cccc3c2C[NH2+]C3)cc1OC ZINC000662439022 565367442 /nfs/dbraw/zinc/36/74/42/565367442.db2.gz GRYMEOGNFOVJJK-UHFFFAOYSA-N 1 0 391.265 3.000 20 0 GFADRO COCC[N@@H+]1CC[C@@H](NC(=O)CCSc2ccc(Br)cc2)C1 ZINC000593913419 565367656 /nfs/dbraw/zinc/36/76/56/565367656.db2.gz RKLYBCOOYBJGJA-CQSZACIVSA-N 1 0 387.343 2.768 20 0 GFADRO C[C@H]1CCCN(C(=O)Cc2ccc(I)cc2)[C@H]1CC[NH3+] ZINC000593917649 565367836 /nfs/dbraw/zinc/36/78/36/565367836.db2.gz XGXWCYMRAWOBRQ-WFASDCNBSA-N 1 0 386.277 2.810 20 0 GFADRO O=C(N[C@@H]1CCc2c1cccc2Br)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC000662441541 565368896 /nfs/dbraw/zinc/36/88/96/565368896.db2.gz JXWWOHMMTKJLSJ-ZUZCIYMTSA-N 1 0 375.270 2.666 20 0 GFADRO N[C@@H](C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1)c1ccccc1Br ZINC000662468830 565370373 /nfs/dbraw/zinc/37/03/73/565370373.db2.gz UIMQKCFOTSTQME-WMLDXEAASA-N 1 0 380.330 2.926 20 0 GFADRO N[C@@H](C(=O)N1CCC(C[NH+]2CCCC2)CC1)c1ccccc1Br ZINC000662473425 565371022 /nfs/dbraw/zinc/37/10/22/565371022.db2.gz IXVNNPBKIMVDRM-QGZVFWFLSA-N 1 0 380.330 2.783 20 0 GFADRO CC[C@H](c1ccc(Br)cc1)N1CCN(C(=O)NC[C@@H](C)[NH3+])CC1 ZINC000641424560 565371342 /nfs/dbraw/zinc/37/13/42/565371342.db2.gz KRNUZRNLCWPWFF-CZUORRHYSA-N 1 0 383.334 2.575 20 0 GFADRO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)c2sc3c(c2Br)CNC3)C1 ZINC000662484369 565371417 /nfs/dbraw/zinc/37/14/17/565371417.db2.gz ADBMWNDBRPLSKC-LBPRGKRZSA-N 1 0 398.370 2.918 20 0 GFADRO CC(C)(CNC(=O)c1c[nH]nc1[C@@H]1CC[NH2+]C1)c1ccccc1Br ZINC000662505904 565372416 /nfs/dbraw/zinc/37/24/16/565372416.db2.gz UUSIFLNZKRZVET-GFCCVEGCSA-N 1 0 391.313 2.957 20 0 GFADRO O=C(c1sc2c(c1Br)CNC2)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000662522116 565375169 /nfs/dbraw/zinc/37/51/69/565375169.db2.gz KDGMFVJTWMVLOT-NWDGAFQWSA-N 1 0 398.370 2.966 20 0 GFADRO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)c1cc(-c2ccc(Br)cc2)no1 ZINC000662560716 565377322 /nfs/dbraw/zinc/37/73/22/565377322.db2.gz MWPWHAGMQCNBRC-STQMWFEESA-N 1 0 382.233 2.876 20 0 GFADRO C[C@H]([NH3+])CNC(=O)N1CCC[C@@H]1c1nc(-c2ccccc2Br)no1 ZINC000641494796 565377534 /nfs/dbraw/zinc/37/75/34/565377534.db2.gz ZWRCSFSIXOBQPT-GXFFZTMASA-N 1 0 394.273 2.693 20 0 GFADRO [NH3+][C@@H]1CCCO[C@H]1C1CCN(C(=O)Cc2ccc(Br)cc2F)CC1 ZINC000662576065 565378281 /nfs/dbraw/zinc/37/82/81/565378281.db2.gz VVCXZMSKOMJSKF-AEFFLSMTSA-N 1 0 399.304 2.876 20 0 GFADRO O=C(Cc1cccc(I)c1)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000594194894 565378649 /nfs/dbraw/zinc/37/86/49/565378649.db2.gz AGCZYPXQZNRGLD-CVEARBPZSA-N 1 0 398.288 2.967 20 0 GFADRO C[C@@H](CNC(=O)[C@]1(C(F)(F)F)CC[NH2+]C1)Oc1ccccc1Br ZINC000662633014 565379264 /nfs/dbraw/zinc/37/92/64/565379264.db2.gz XGJLCPMCQNUVLI-HZMBPMFUSA-N 1 0 395.219 2.875 20 0 GFADRO O=C(COC1CC[NH2+]CC1)NCC1(Cc2ccc(Br)cc2)CC1 ZINC000662667577 565381162 /nfs/dbraw/zinc/38/11/62/565381162.db2.gz WUVWXQZVZWCZQH-UHFFFAOYSA-N 1 0 381.314 2.657 20 0 GFADRO CN1CC[C@H](NC(=O)[C@@]2(C(F)(F)F)CC[NH2+]C2)[C@@H]1c1ccc(Cl)cc1 ZINC000662796843 565384190 /nfs/dbraw/zinc/38/41/90/565384190.db2.gz CSGGDSZQVPZPAP-OFQRWUPVSA-N 1 0 375.822 2.743 20 0 GFADRO O=C(N1CCC([N@@H+]2CC[C@@H](O)C2)CC1)C1(c2ccccc2Br)CC1 ZINC000620479271 565384745 /nfs/dbraw/zinc/38/47/45/565384745.db2.gz RGSGWTSERMXSBQ-OAHLLOKOSA-N 1 0 393.325 2.538 20 0 GFADRO C[C@@H](C(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1)c1cccc(Br)c1 ZINC000620477545 565385157 /nfs/dbraw/zinc/38/51/57/565385157.db2.gz KHQLBBZOYJXFDL-CXAGYDPISA-N 1 0 381.314 2.610 20 0 GFADRO Cc1ccc(Br)c(C)c1C(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000620477935 565385168 /nfs/dbraw/zinc/38/51/68/565385168.db2.gz OSXZPWVLSFHUEC-OAHLLOKOSA-N 1 0 381.314 2.737 20 0 GFADRO Cc1cccc(CNC(=O)c2cn([C@@H]3CCC[NH2+]CC3)nn2)c1Br ZINC000662802385 565385562 /nfs/dbraw/zinc/38/55/62/565385562.db2.gz ORKIZNJBTLWKJT-CQSZACIVSA-N 1 0 392.301 2.594 20 0 GFADRO Cc1c(Br)cccc1CNC(=O)c1cnn2c1[C@@H](C[NH3+])CCC2 ZINC000594446955 565385956 /nfs/dbraw/zinc/38/59/56/565385956.db2.gz BTSIYOKJNQUFSP-GFCCVEGCSA-N 1 0 377.286 2.720 20 0 GFADRO CN1CC[C@H](NC(=O)[C@@]2(C(F)(F)F)CC[NH2+]C2)[C@H]1c1ccc(Cl)cc1 ZINC000662796845 565385948 /nfs/dbraw/zinc/38/59/48/565385948.db2.gz CSGGDSZQVPZPAP-SQWLQELKSA-N 1 0 375.822 2.743 20 0 GFADRO Cc1sc2ncnc(SCC(=O)Nc3nn(C)c(C)c3C[NH3+])c2c1C ZINC000662838240 565386822 /nfs/dbraw/zinc/38/68/22/565386822.db2.gz FSBFFZVIGHXAQG-UHFFFAOYSA-N 1 0 376.511 2.540 20 0 GFADRO [NH3+]C[C@@H]1OCC[C@@H]1C(=O)N1CCN(c2cc(Cl)c(Cl)c(Cl)c2)CC1 ZINC000662834110 565386997 /nfs/dbraw/zinc/38/69/97/565386997.db2.gz YNACHAZKJYDWCI-FZMZJTMJSA-N 1 0 392.714 2.659 20 0 GFADRO O=C(N1CCOc2cccc(Br)c2C1)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662830740 565387116 /nfs/dbraw/zinc/38/71/16/565387116.db2.gz IDHACEJUUGPUCE-AWEZNQCLSA-N 1 0 393.203 2.712 20 0 GFADRO C[NH2+]C[C@H](C)NC(=O)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000662954866 565391354 /nfs/dbraw/zinc/39/13/54/565391354.db2.gz WJHYCXAAKXNQMJ-JTQLQIEISA-N 1 0 378.826 2.694 20 0 GFADRO OCC1([NH2+]Cc2cc(Br)sc2Br)CCOCC1 ZINC000641728604 565397154 /nfs/dbraw/zinc/39/71/54/565397154.db2.gz VXHFGXMEXAIHHH-UHFFFAOYSA-N 1 0 385.121 2.904 20 0 GFADRO O=C1NCCC[C@H]1C[NH2+]Cc1cc(Br)sc1Br ZINC000641761963 565398227 /nfs/dbraw/zinc/39/82/27/565398227.db2.gz CARGSBXWHOEVKE-ZETCQYMHSA-N 1 0 382.121 2.889 20 0 GFADRO FC(F)(F)c1sccc1C[NH2+][C@H]1CCCN(CCN2CCOCC2)C1 ZINC000641787666 565399311 /nfs/dbraw/zinc/39/93/11/565399311.db2.gz XKNULIYXOUVHCW-HNNXBMFYSA-N 1 0 377.476 2.653 20 0 GFADRO Cc1cc(Br)c(Cl)cc1NC(=O)C(=O)NCCC(C)(C)[NH3+] ZINC000641821495 565399790 /nfs/dbraw/zinc/39/97/90/565399790.db2.gz IADJCPHFSUMGML-UHFFFAOYSA-N 1 0 376.682 2.593 20 0 GFADRO CC(C)([NH3+])CCNS(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCCCO1 ZINC000641806800 565399987 /nfs/dbraw/zinc/39/99/87/565399987.db2.gz UATXPQURFMQBTC-AWEZNQCLSA-N 1 0 390.933 2.694 20 0 GFADRO C[NH+](C)C[C@H]1COC2(CCCC2)CN1C(=O)c1ccc(Br)cn1 ZINC000620915165 565401761 /nfs/dbraw/zinc/40/17/61/565401761.db2.gz DHOIEMPKZMABGJ-AWEZNQCLSA-N 1 0 382.302 2.560 20 0 GFADRO C[NH+](C)CCC[C@@H]1CN(C(=O)Cc2ccc(Br)cc2F)CCO1 ZINC000620978963 565403427 /nfs/dbraw/zinc/40/34/27/565403427.db2.gz BEXQUKUUZXVRTC-OAHLLOKOSA-N 1 0 387.293 2.700 20 0 GFADRO COc1ccc(S(=O)(=O)N(C)[C@@H](C[NH3+])C(F)(F)F)c(Cl)c1Cl ZINC000663311340 565411223 /nfs/dbraw/zinc/41/12/23/565411223.db2.gz MNSHVAMBRDWYMB-QMMMGPOBSA-N 1 0 381.203 2.512 20 0 GFADRO Cc1cc(Br)cc(C)c1S(=O)(=O)N(C)[C@H](C[NH3+])C(F)(F)F ZINC000663311714 565411284 /nfs/dbraw/zinc/41/12/84/565411284.db2.gz PSXGOSSISDEODN-SNVBAGLBSA-N 1 0 389.237 2.576 20 0 GFADRO O=C(C[NH+]1C2CCC1CC2)N1CCN(Cc2ccc(Br)s2)CC1 ZINC000642525626 565413391 /nfs/dbraw/zinc/41/33/91/565413391.db2.gz YKSXUEGPKSJJBO-UHFFFAOYSA-N 1 0 398.370 2.782 20 0 GFADRO CC(C)(CC(F)(F)F)[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000642794724 565417313 /nfs/dbraw/zinc/41/73/13/565417313.db2.gz HCHGHIFYHZGKOS-UHFFFAOYSA-N 1 0 389.237 2.917 20 0 GFADRO Cc1cc(NC(=O)C(=O)N(C)CCCC[NH+](C)C)cc(F)c1Br ZINC000663402848 565417384 /nfs/dbraw/zinc/41/73/84/565417384.db2.gz IEIUNIYGDUPSSZ-UHFFFAOYSA-N 1 0 388.281 2.635 20 0 GFADRO CC[NH+]1CCN(Cc2ccc(CNc3cc(Br)cnn3)cc2)CC1 ZINC000663390356 565417418 /nfs/dbraw/zinc/41/74/18/565417418.db2.gz GVQGHDYPINGCMT-UHFFFAOYSA-N 1 0 390.329 2.989 20 0 GFADRO CC[C@H](C)Oc1cccc(S(=O)(=O)NCC2(SC)CC[NH+](C)CC2)c1 ZINC000594778608 565420578 /nfs/dbraw/zinc/42/05/78/565420578.db2.gz MFJGNMCKRGZRIA-HNNXBMFYSA-N 1 0 386.583 2.970 20 0 GFADRO O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000643092625 565420764 /nfs/dbraw/zinc/42/07/64/565420764.db2.gz NUKHLTPKLOZCNO-WFASDCNBSA-N 1 0 378.416 2.738 20 0 GFADRO C[C@@H](NC(=O)NCCN1C[C@@H](C)OC[C@H]1C)c1ccc(Br)cc1 ZINC000663441758 565421031 /nfs/dbraw/zinc/42/10/31/565421031.db2.gz AKZJRZTZYGXLKW-MGPQQGTHSA-N 1 0 384.318 2.919 20 0 GFADRO O=C1CCCN1C[C@@H](O)C[NH2+][C@@H]1CCCSc2ccc(Br)cc21 ZINC000663445591 565421732 /nfs/dbraw/zinc/42/17/32/565421732.db2.gz JSLLKYQXHLBUAF-DZGCQCFKSA-N 1 0 399.354 2.949 20 0 GFADRO C[C@]1(NC(=O)Nc2ccnn2Cc2ccc(Br)cc2)CC[NH2+]C1 ZINC000663593925 565428030 /nfs/dbraw/zinc/42/80/30/565428030.db2.gz XMXFVECESOMLBV-INIZCTEOSA-N 1 0 378.274 2.567 20 0 GFADRO COc1cc(C[N@@H+]2CC[C@@H](Nc3cc(Br)cnn3)C2)cc(OC)c1 ZINC000663707803 565431893 /nfs/dbraw/zinc/43/18/93/565431893.db2.gz FXZRNRBENSNBDG-CQSZACIVSA-N 1 0 393.285 2.943 20 0 GFADRO CC[NH2+]CCC[NH2+]C1CCN(C(=O)c2ccc(Br)cc2C)CC1 ZINC000643499008 565434293 /nfs/dbraw/zinc/43/42/93/565434293.db2.gz KYOYAWREKQFMAZ-UHFFFAOYSA-N 1 0 382.346 2.951 20 0 GFADRO O=C(NCCc1ccc(Br)s1)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000643469110 565434544 /nfs/dbraw/zinc/43/45/44/565434544.db2.gz HKKZJSIAISRWHK-LBPRGKRZSA-N 1 0 383.315 2.604 20 0 GFADRO O=C(c1cc2c(cc1Br)OCO2)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000621642514 565434696 /nfs/dbraw/zinc/43/46/96/565434696.db2.gz PFDBPBVVVPASBZ-AWEZNQCLSA-N 1 0 381.270 2.782 20 0 GFADRO O=C(c1[nH]nc(C2CC2)c1Br)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000643603839 565435199 /nfs/dbraw/zinc/43/51/99/565435199.db2.gz SZZWPBAXYSHLCM-CYBMUJFWSA-N 1 0 375.270 2.836 20 0 GFADRO O=C(CC[C@H]1CCC[NH2+]C1)NCc1noc(-c2cccc(Br)c2)n1 ZINC000621663387 565435867 /nfs/dbraw/zinc/43/58/67/565435867.db2.gz JNKHPZWQKORHLP-GFCCVEGCSA-N 1 0 393.285 2.895 20 0 GFADRO COCC[C@H](Cc1cccc(Br)c1)C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000621687721 565437111 /nfs/dbraw/zinc/43/71/11/565437111.db2.gz JTLXTKLLENQYPQ-JTDSTZFVSA-N 1 0 395.341 2.984 20 0 GFADRO O=C(NCc1ccc(Br)cc1Cl)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000643663947 565437928 /nfs/dbraw/zinc/43/79/28/565437928.db2.gz MNDWARZXHHFWJQ-LBPRGKRZSA-N 1 0 398.692 2.549 20 0 GFADRO CCS(=O)(=O)c1c(Cl)cccc1C[NH2+][C@@H]1CCC[C@@H]([S@@](C)=O)C1 ZINC000594964833 565438212 /nfs/dbraw/zinc/43/82/12/565438212.db2.gz GPZVFINLZSJNRO-XDEPDNQISA-N 1 0 377.959 2.913 20 0 GFADRO C[C@@H]([NH2+]CC[C@H]1CC1(F)F)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000621768703 565441343 /nfs/dbraw/zinc/44/13/43/565441343.db2.gz UASMCKUVBYPLPM-SCZZXKLOSA-N 1 0 383.258 2.792 20 0 GFADRO COCCN1CC[C@H]([NH2+][C@H]2CCc3ccc(I)cc32)C1 ZINC000595020927 565443910 /nfs/dbraw/zinc/44/39/10/565443910.db2.gz VSMJHCXKPDCPAG-HOCLYGCPSA-N 1 0 386.277 2.589 20 0 GFADRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)NCC(F)(F)c1ccc(Br)cc1 ZINC000621847641 565444415 /nfs/dbraw/zinc/44/44/15/565444415.db2.gz GWPHXIOTFMMHTA-GXFFZTMASA-N 1 0 376.245 2.838 20 0 GFADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1cc(Br)c[nH]c1=O ZINC000621954797 565451016 /nfs/dbraw/zinc/45/10/16/565451016.db2.gz KCWMEXNCSMWZLO-WBMJQRKESA-N 1 0 390.281 2.800 20 0 GFADRO [NH3+][C@@]12CCC[C@H]1CN(S(=O)(=O)c1c(Cl)cccc1Br)C2 ZINC000622014890 565455460 /nfs/dbraw/zinc/45/54/60/565455460.db2.gz MJFXSRNCRFMSBQ-TVQRCGJNSA-N 1 0 379.707 2.604 20 0 GFADRO CN(CCC[NH3+])C(=O)c1nn(-c2cccc(Br)c2)c2c1CCC2 ZINC000644067710 565456303 /nfs/dbraw/zinc/45/63/03/565456303.db2.gz DQCNWTPPVZVWLX-UHFFFAOYSA-N 1 0 377.286 2.544 20 0 GFADRO CC(C)[C@H]([NH3+])CCNC(=O)Nc1ccc(I)cc1F ZINC000595236716 565456999 /nfs/dbraw/zinc/45/69/99/565456999.db2.gz MEYOXSYNWQMBCT-LLVKDONJSA-N 1 0 379.217 2.925 20 0 GFADRO O=C(c1ccc(-n2cc(Br)cn2)cc1)N(C1CC1)C1CC[NH2+]CC1 ZINC000644095957 565458525 /nfs/dbraw/zinc/45/85/25/565458525.db2.gz NVKHYCUTWPDLKG-UHFFFAOYSA-N 1 0 389.297 2.991 20 0 GFADRO CCC[NH2+]CCNC(=O)NCc1cc(Cl)ccc1I ZINC000595265143 565460272 /nfs/dbraw/zinc/46/02/72/565460272.db2.gz KPXKTWWQPXBDIH-UHFFFAOYSA-N 1 0 395.672 2.743 20 0 GFADRO O[C@@H]1CC[N@@H+](C2CCN(c3nnc(Cc4ccc(Cl)cc4)s3)CC2)C1 ZINC000664598735 565469327 /nfs/dbraw/zinc/46/93/27/565469327.db2.gz IOJZGRZFHGIPEI-MRXNPFEDSA-N 1 0 378.929 2.818 20 0 GFADRO C[NH+](C)CCn1cc(NC(=O)C2(c3ccc(Br)cc3)CC2)cn1 ZINC000622405627 565471132 /nfs/dbraw/zinc/47/11/32/565471132.db2.gz DHEYPIDBZWRXTG-UHFFFAOYSA-N 1 0 377.286 2.878 20 0 GFADRO COc1cc(C[NH2+]C2COCCOC2)cc(Br)c1OC(F)F ZINC000644422314 565476022 /nfs/dbraw/zinc/47/60/22/565476022.db2.gz OBTANSUXEPNZLZ-UHFFFAOYSA-N 1 0 382.201 2.564 20 0 GFADRO C[C@@H](NC(=O)N1CCO[C@@H](CCC[NH+](C)C)C1)c1ccc(Br)cn1 ZINC000664793156 565478585 /nfs/dbraw/zinc/47/85/85/565478585.db2.gz VRCVLYFVFVMNSM-HIFRSBDPSA-N 1 0 399.333 2.657 20 0 GFADRO O=C(C[NH2+]C1(CCO)CCCC1)Nc1ccccc1I ZINC000595508047 565479769 /nfs/dbraw/zinc/47/97/69/565479769.db2.gz FOQMYMANNMRMLI-UHFFFAOYSA-N 1 0 388.249 2.515 20 0 GFADRO C[C@@H](C[NH2+]CC1(c2ccc(Br)cc2)CCOCC1)S(C)(=O)=O ZINC000644535994 565480315 /nfs/dbraw/zinc/48/03/15/565480315.db2.gz AOOBDZVEULJCAL-ZDUSSCGKSA-N 1 0 390.343 2.520 20 0 GFADRO CCN(C(=O)N[C@H]1COc2cc(F)c(Br)cc21)[C@H]1CC[N@H+](C)C1 ZINC000664834295 565481520 /nfs/dbraw/zinc/48/15/20/565481520.db2.gz VUCBSZNVLAPUSS-HZMBPMFUSA-N 1 0 386.265 2.757 20 0 GFADRO O[C@@H](C[NH2+]CCc1cn2c(n1)SCC2)COc1ccc(Cl)c(Cl)c1 ZINC000644623622 565484859 /nfs/dbraw/zinc/48/48/59/565484859.db2.gz VEXMAVXMRZPYGS-LBPRGKRZSA-N 1 0 388.320 2.868 20 0 GFADRO CSC1(CNC(=O)NCc2cnccc2C(F)(F)F)CC[NH+](C)CC1 ZINC000595634563 565486348 /nfs/dbraw/zinc/48/63/48/565486348.db2.gz GIUWWZJPMCRHDK-UHFFFAOYSA-N 1 0 376.448 2.727 20 0 GFADRO Cn1ccnc1[C@@H]([NH2+]C[C@@H](O)COc1ccc(Br)cc1)C1CC1 ZINC000644645690 565487799 /nfs/dbraw/zinc/48/77/99/565487799.db2.gz BZFHVWHRXBYRGC-ZBFHGGJFSA-N 1 0 380.286 2.663 20 0 GFADRO COCC1(C[NH2+]C[C@@H](O)COc2ccc(Cl)c(Cl)c2)CCOCC1 ZINC000644652153 565487995 /nfs/dbraw/zinc/48/79/95/565487995.db2.gz VXXQHOYRWSCENK-CYBMUJFWSA-N 1 0 378.296 2.766 20 0 GFADRO COc1cccc2c1C[C@H]([NH2+]C[C@@H](O)COc1cccc(Br)c1)C2 ZINC000644669028 565489005 /nfs/dbraw/zinc/48/90/05/565489005.db2.gz ZZFSQRSDBZCRFQ-HZPDHXFCSA-N 1 0 392.293 2.954 20 0 GFADRO C[N@@H+](Cc1ccc(I)c(Cl)c1)C[C@@H]1COCCO1 ZINC000595738565 565489446 /nfs/dbraw/zinc/48/94/46/565489446.db2.gz WJMQANOAIOFPFT-LLVKDONJSA-N 1 0 381.641 2.792 20 0 GFADRO CC(C)[N@H+](C[C@H](O)COc1ccc(Cl)c(Cl)c1)C[C@@H]1CCC(=O)N1 ZINC000665262601 565494559 /nfs/dbraw/zinc/49/45/59/565494559.db2.gz MILCLPKTSMTPLO-STQMWFEESA-N 1 0 375.296 2.722 20 0 GFADRO O=[S@](CCN1CCC([N@@H+]2CC[C@@H](O)C2)CC1)c1cc(Cl)ccc1Cl ZINC000595864539 565494619 /nfs/dbraw/zinc/49/46/19/565494619.db2.gz BRMPQZBFJDDCLU-OYLFLEFRSA-N 1 0 391.364 2.632 20 0 GFADRO C[C@H]1CSc2ccc(Br)cc2[C@H]1NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000665292219 565495609 /nfs/dbraw/zinc/49/56/09/565495609.db2.gz WEKBIIWUJCGTQX-FVMDXXJSSA-N 1 0 395.326 2.976 20 0 GFADRO Cc1c(C(=O)N2CC[C@H]3C[N@@H+](C)C[C@@H]32)cnn1-c1ccc(Br)cc1 ZINC000644813023 565497349 /nfs/dbraw/zinc/49/73/49/565497349.db2.gz FGVRULISSXKORJ-GUYCJALGSA-N 1 0 389.297 2.719 20 0 GFADRO COC(=O)[C@H](c1ccccc1Br)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000595904722 565497433 /nfs/dbraw/zinc/49/74/33/565497433.db2.gz BUKXXBMMFCCTIA-PBHICJAKSA-N 1 0 399.329 2.706 20 0 GFADRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)NCc3cc(Cl)cc(Cl)c3)CC2)C1 ZINC000665349942 565498239 /nfs/dbraw/zinc/49/82/39/565498239.db2.gz ZXAOSZLTPLPXHP-QGZVFWFLSA-N 1 0 385.339 2.915 20 0 GFADRO [NH3+]CC[C@H](NC(=O)N1CCc2ccc(F)c(Br)c2C1)C(F)(F)F ZINC000623178833 565499143 /nfs/dbraw/zinc/49/91/43/565499143.db2.gz GZRBRMQPOYUPLK-NSHDSACASA-N 1 0 398.198 2.936 20 0 GFADRO CC[C@@H]([NH2+]C)C(=O)Nc1ccc(Br)c(I)c1 ZINC000595937159 565500305 /nfs/dbraw/zinc/50/03/05/565500305.db2.gz QRPQPUDELIJRQK-SNVBAGLBSA-N 1 0 397.054 2.990 20 0 GFADRO COc1cc2[nH+]ccc(NCCOC[C@@H]3CCOC3)c2cc1Br ZINC000644871075 565500665 /nfs/dbraw/zinc/50/06/65/565500665.db2.gz UBLOGILYGSWUKD-GFCCVEGCSA-N 1 0 381.270 2.893 20 0 GFADRO O=C(Nc1nc2cc(I)ccc2[nH]1)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000595950298 565502822 /nfs/dbraw/zinc/50/28/22/565502822.db2.gz SRYCYMOMOIQEJG-ZYHUDNBSSA-N 1 0 396.232 2.637 20 0 GFADRO CC[C@]1(C(=O)Nc2nc3cc(I)ccc3[nH]2)CCC[NH2+]1 ZINC000595980381 565503356 /nfs/dbraw/zinc/50/33/56/565503356.db2.gz HCIVQVNQEGRAEL-CQSZACIVSA-N 1 0 384.221 2.638 20 0 GFADRO COC(=O)c1sc2c(c1Br)CN(C(=O)[C@H]1C[C@]13CCC[NH2+]C3)C2 ZINC000595988856 565503805 /nfs/dbraw/zinc/50/38/05/565503805.db2.gz DXLIBSAUABCHMY-HWPZZCPQSA-N 1 0 399.310 2.529 20 0 GFADRO COC(=O)c1sc2c(c1Br)CN(C(=O)[C@@H]1CC13CC[NH2+]CC3)C2 ZINC000595991707 565504425 /nfs/dbraw/zinc/50/44/25/565504425.db2.gz GOKWQDQURZELKY-JTQLQIEISA-N 1 0 399.310 2.529 20 0 GFADRO COC(=O)c1sc2c(c1Br)CN(C(=O)[C@@H]1C[C@H](C)CC[NH2+]1)C2 ZINC000595994756 565504688 /nfs/dbraw/zinc/50/46/88/565504688.db2.gz IYDMRHHKJFFIKN-SCZZXKLOSA-N 1 0 387.299 2.528 20 0 GFADRO C[NH+](C)C[C@H]1CCc2ccccc2N1C(=O)CCn1cc(Br)cn1 ZINC000644978395 565506062 /nfs/dbraw/zinc/50/60/62/565506062.db2.gz UPEOVAFBDLUHON-MRXNPFEDSA-N 1 0 391.313 2.945 20 0 GFADRO CCS(=O)(=O)N(C)CCC[NH2+]Cc1cccc(F)c1OCC(F)(F)F ZINC000623357278 565506023 /nfs/dbraw/zinc/50/60/23/565506023.db2.gz GSEWMDPKGGSHJL-UHFFFAOYSA-N 1 0 386.411 2.528 20 0 GFADRO CCC[N@@H+]1CC[C@H](CNC(=O)Nc2cnc3c(Br)cccn23)C1 ZINC000645010168 565507728 /nfs/dbraw/zinc/50/77/28/565507728.db2.gz ZBCYHLMUMLNBMN-GFCCVEGCSA-N 1 0 380.290 2.950 20 0 GFADRO C[C@@H](NC(=O)Nc1cnn(-c2cc[nH+]cc2)c1)c1ncc(Br)cn1 ZINC000645015403 565508099 /nfs/dbraw/zinc/50/80/99/565508099.db2.gz YIBGSDZANQPATK-SNVBAGLBSA-N 1 0 388.229 2.703 20 0 GFADRO Cc1cc(CNC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)ncc1Br ZINC000623429137 565509327 /nfs/dbraw/zinc/50/93/27/565509327.db2.gz ORCMFNXUIAQSMN-IBGZPJMESA-N 1 0 390.325 2.879 20 0 GFADRO O=C(Nc1nnc(-c2ccsc2)s1)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000665833262 565513131 /nfs/dbraw/zinc/51/31/31/565513131.db2.gz XAHCPTLXEINHBJ-CYBMUJFWSA-N 1 0 379.511 2.641 20 0 GFADRO O=C(COc1ccc(F)cc1Br)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000645112879 565513150 /nfs/dbraw/zinc/51/31/50/565513150.db2.gz TUNQTAXNPVDZBU-DOMZBBRYSA-N 1 0 385.277 2.958 20 0 GFADRO C[NH+](C)CCC[C@H]1CN(C(=O)Nc2nnc(-c3ccsc3)s2)CCO1 ZINC000665833165 565513635 /nfs/dbraw/zinc/51/36/35/565513635.db2.gz UMYMGVOZAVOBQA-ZDUSSCGKSA-N 1 0 381.527 2.841 20 0 GFADRO C[NH2+][C@@H](CC(C)(C)C)C(=O)NCC(=O)Nc1ccc(Br)cc1C ZINC000645163499 565514842 /nfs/dbraw/zinc/51/48/42/565514842.db2.gz CILTVCBQULRFDT-AWEZNQCLSA-N 1 0 384.318 2.836 20 0 GFADRO O=C(c1cc(Br)c2c(c1)OCCO2)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000623504059 565515636 /nfs/dbraw/zinc/51/56/36/565515636.db2.gz CMGDQNPYMRHXSE-CQSZACIVSA-N 1 0 395.297 2.921 20 0 GFADRO C[N@@H+]1CCC[C@H](NC(=O)N2CCO[C@H](c3cccc(Br)c3)C2)C1 ZINC000623543117 565517777 /nfs/dbraw/zinc/51/77/77/565517777.db2.gz WUOBLGBUPRGBCO-HOTGVXAUSA-N 1 0 382.302 2.626 20 0 GFADRO COCC[N@@H+]1CC[C@@H](NC(=O)NCC/C=C\c2ccc(Br)cc2)C1 ZINC000623635019 565522128 /nfs/dbraw/zinc/52/21/28/565522128.db2.gz OIYORPQPKSKQDJ-POKLJVKSSA-N 1 0 396.329 2.872 20 0 GFADRO CN1C(=O)c2cc(Br)ccc2NC12CC[NH+](CC(C)(C)O)CC2 ZINC000666176998 565525713 /nfs/dbraw/zinc/52/57/13/565525713.db2.gz OFLGJXSPOPESAV-UHFFFAOYSA-N 1 0 382.302 2.510 20 0 GFADRO C[NH+](C)CCn1cc(NC(=O)N[C@H](CO)c2cccc(Cl)c2Cl)cn1 ZINC000666239284 565527854 /nfs/dbraw/zinc/52/78/54/565527854.db2.gz VUVHAWULRQVEFH-CQSZACIVSA-N 1 0 386.283 2.607 20 0 GFADRO O[C@H]1CCN(CC[NH2+]Cc2cnc(-c3ccc(Br)cc3)s2)C1 ZINC000623837759 565532749 /nfs/dbraw/zinc/53/27/49/565532749.db2.gz SPELWIFKUXUBFZ-AWEZNQCLSA-N 1 0 382.327 2.729 20 0 GFADRO O=C1[C@@H]([NH2+]Cc2cnn(-c3ccc(Br)cc3)c2)CCN1C1CCC1 ZINC000623840292 565532816 /nfs/dbraw/zinc/53/28/16/565532816.db2.gz VBLBKUFPCCZEMO-KRWDZBQOSA-N 1 0 389.297 2.878 20 0 GFADRO Cn1ncc(C(F)(F)F)c1C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000666343985 565532994 /nfs/dbraw/zinc/53/29/94/565532994.db2.gz VCFOJIANVDTHCY-UHFFFAOYSA-N 1 0 376.448 2.530 20 0 GFADRO O=S(=O)(CC[NH2+][C@@H]1CCc2cc(F)c(Cl)cc21)NC[C@H]1CCCCO1 ZINC000623913701 565535131 /nfs/dbraw/zinc/53/51/31/565535131.db2.gz YMZGRERIJCKNCF-CXAGYDPISA-N 1 0 390.908 2.545 20 0 GFADRO CC(C)(C)[N@@H+]1C[C@@H](C(=O)N2CCO[C@H](C(F)(F)F)C2)[C@H](C(F)(F)F)C1 ZINC000645536757 565536264 /nfs/dbraw/zinc/53/62/64/565536264.db2.gz BEOVLXJMSKGUSY-MXWKQRLJSA-N 1 0 376.341 2.685 20 0 GFADRO C[C@@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+]Cc1nnc2n1CCOC2 ZINC000623970502 565537363 /nfs/dbraw/zinc/53/73/63/565537363.db2.gz QIZZASZTOUBJMR-VIFPVBQESA-N 1 0 375.782 2.596 20 0 GFADRO Cc1ccc(Br)cc1[C@@H](C)[NH2+]CCCCn1cc(C(N)=O)nn1 ZINC000624002085 565538976 /nfs/dbraw/zinc/53/89/76/565538976.db2.gz VFRHPVBXSZUTQR-GFCCVEGCSA-N 1 0 380.290 2.579 20 0 GFADRO COCCC[C@H]([NH2+][C@H](CO)c1ccnn1C)c1ccc(Br)cc1 ZINC000624019900 565540268 /nfs/dbraw/zinc/54/02/68/565540268.db2.gz DPRIWORKCVANFN-JKSUJKDBSA-N 1 0 382.302 2.974 20 0 GFADRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NS(=O)(=O)c1ncccc1C(F)(F)F ZINC000645596818 565542385 /nfs/dbraw/zinc/54/23/85/565542385.db2.gz NOHNSSBBUHXISE-UPJWGTAASA-N 1 0 379.448 2.745 20 0 GFADRO C[C@@H]([NH2+][C@H]1CCN(c2ccc3nncn3n2)C1)c1ccccc1Br ZINC000624113709 565544203 /nfs/dbraw/zinc/54/42/03/565544203.db2.gz LMUSPYFVHXXETH-OLZOCXBDSA-N 1 0 387.285 2.816 20 0 GFADRO COC1CC[NH+](CCNC(=O)NCc2sc(C)cc2Br)CC1 ZINC000666640881 565546824 /nfs/dbraw/zinc/54/68/24/565546824.db2.gz YQQKCAPOZYAHJF-UHFFFAOYSA-N 1 0 390.347 2.729 20 0 GFADRO O=S(=O)(N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)c1cscn1 ZINC000645647770 565547278 /nfs/dbraw/zinc/54/72/78/565547278.db2.gz GSHCWLBRJOZEOF-GVDBMIGSSA-N 1 0 377.535 2.722 20 0 GFADRO C[N@@H+]1CCC[C@@H]1CNC(=O)NCc1c(F)c(F)c(Br)c(F)c1F ZINC000624246939 565548919 /nfs/dbraw/zinc/54/89/19/565548919.db2.gz IFYHDAKTAYUMCY-SSDOTTSWSA-N 1 0 398.198 2.899 20 0 GFADRO C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N[C@@H](C)C1CC[NH+](C)CC1 ZINC000624270701 565549988 /nfs/dbraw/zinc/54/99/88/565549988.db2.gz DTWTZMHZXLLYKW-RYUDHWBXSA-N 1 0 386.323 2.958 20 0 GFADRO O=C1NC(=O)C2(CCC([NH2+][C@@H](CCO)c3cc(Cl)cc(Cl)c3)CC2)N1 ZINC000624289847 565550059 /nfs/dbraw/zinc/55/00/59/565550059.db2.gz QFVCTMLPPKKKNS-UUCFBXCCSA-N 1 0 386.279 2.527 20 0 GFADRO C[NH+](C)C1(C(=O)NCc2ccc(Cl)cc2I)CC1 ZINC000597583510 565565071 /nfs/dbraw/zinc/56/50/71/565565071.db2.gz FIPBWAHLNZDNNC-UHFFFAOYSA-N 1 0 378.641 2.655 20 0 GFADRO Cc1cc(Br)c(F)cc1S(=O)(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000624361999 565552266 /nfs/dbraw/zinc/55/22/66/565552266.db2.gz DJJTVFVAKXWKIW-MISXGVKJSA-N 1 0 391.306 2.645 20 0 GFADRO COC(=O)c1ccc(C[NH2+]CCn2cc(Br)ccc2=O)cc1Cl ZINC000597135005 565552614 /nfs/dbraw/zinc/55/26/14/565552614.db2.gz LGBPBPJOJMNUEY-UHFFFAOYSA-N 1 0 399.672 2.841 20 0 GFADRO CN(CCC[NH+](C)C)CCNC(=O)Nc1ccc(Cl)cc1OC(F)F ZINC000666716828 565553983 /nfs/dbraw/zinc/55/39/83/565553983.db2.gz OVEVXVQFBSJPGT-UHFFFAOYSA-N 1 0 378.851 2.946 20 0 GFADRO CCN(CC[NH3+])S(=O)(=O)c1csc(-c2ccc(Br)cc2)n1 ZINC000624381640 565554657 /nfs/dbraw/zinc/55/46/57/565554657.db2.gz YNEQKCHOUQXJMK-UHFFFAOYSA-N 1 0 390.328 2.542 20 0 GFADRO CCc1ccc(S(=O)(=O)N2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1CC ZINC000624391412 565554764 /nfs/dbraw/zinc/55/47/64/565554764.db2.gz XABRQIKSWHBOBJ-GDBMZVCRSA-N 1 0 378.460 2.959 20 0 GFADRO CC[NH+](CC)CCNC(=O)Nc1nnc(SCc2ccc(F)cc2)s1 ZINC000597252576 565557556 /nfs/dbraw/zinc/55/75/56/565557556.db2.gz ZETXRYXICHMUTQ-UHFFFAOYSA-N 1 0 383.518 3.433 20 0 GFADRO CCC[N@@H+]1CC[C@@H](NC(=O)N[C@@H](CCO)c2ccccc2Br)C1 ZINC000666924051 565563607 /nfs/dbraw/zinc/56/36/07/565563607.db2.gz XMRHKILUABVYDP-CJNGLKHVSA-N 1 0 384.318 2.656 20 0 GFADRO C[NH+]1CCC2(CC1)CN(S(=O)(=O)c1c(Cl)cc(F)cc1Cl)CCO2 ZINC000645856405 565568734 /nfs/dbraw/zinc/56/87/34/565568734.db2.gz BWAVOBUMZALAGB-UHFFFAOYSA-N 1 0 397.299 2.618 20 0 GFADRO C[C@H]([NH3+])[C@H]1CN(C(=O)Nc2ccc(Cl)cc2OCC(F)(F)F)CCO1 ZINC000667104657 565570637 /nfs/dbraw/zinc/57/06/37/565570637.db2.gz OFZKZCNVQOKTDJ-TVQRCGJNSA-N 1 0 381.782 2.861 20 0 GFADRO C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1ccc(I)cc1F ZINC000597701237 565570690 /nfs/dbraw/zinc/57/06/90/565570690.db2.gz RIFNVJXTQOBVRM-ZANVPECISA-N 1 0 376.213 2.595 20 0 GFADRO COC(=O)c1cc(Br)cc(C(=O)N2CCC[C@@]3(CC[N@H+](C)C3)C2)c1 ZINC000597710857 565571894 /nfs/dbraw/zinc/57/18/94/565571894.db2.gz PKDDHLAZEYRDLA-SFHVURJKSA-N 1 0 395.297 2.794 20 0 GFADRO CC[C@H](Cc1ccccc1Br)N(C)C(=O)NC[C@H]1COCCN1C ZINC000624730651 565574048 /nfs/dbraw/zinc/57/40/48/565574048.db2.gz NGCXYSLVKXTDCI-CVEARBPZSA-N 1 0 398.345 2.742 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)Nc2cc(Br)c(F)cc2Cl)CCCO1 ZINC000667183684 565575011 /nfs/dbraw/zinc/57/50/11/565575011.db2.gz OLSRNUSQQJTORM-QMMMGPOBSA-N 1 0 380.645 2.823 20 0 GFADRO C[C@H]([NH3+])[C@H]1CN(C(=O)Nc2cc(Br)c(F)cc2Cl)CCO1 ZINC000667183605 565575061 /nfs/dbraw/zinc/57/50/61/565575061.db2.gz KCMPGTCORSYRAJ-JVXZTZIISA-N 1 0 380.645 2.822 20 0 GFADRO COCC[N@@H+]1CCCN(C(=O)Cc2c(Cl)cccc2Br)CC1 ZINC000667195298 565575831 /nfs/dbraw/zinc/57/58/31/565575831.db2.gz UCUAPYIUAHAJNR-UHFFFAOYSA-N 1 0 389.721 2.826 20 0 GFADRO COCC[N@@H+]1CCCN(C(=O)c2c(Cl)cccc2Br)CC1 ZINC000667196186 565575852 /nfs/dbraw/zinc/57/58/52/565575852.db2.gz QVFTUWXHJRXQRZ-UHFFFAOYSA-N 1 0 375.694 2.897 20 0 GFADRO CC1([NH3+])CCN(C(=O)Nc2cnn(-c3ccccc3Br)c2)CC1 ZINC000667276208 565580068 /nfs/dbraw/zinc/58/00/68/565580068.db2.gz LDZMRVIJOSDRPT-UHFFFAOYSA-N 1 0 378.274 2.980 20 0 GFADRO CO[C@H]1CC[C@@H](C(=O)Nc2cc(Br)ccc2N2CC[NH+](C)CC2)C1 ZINC000667350276 565582692 /nfs/dbraw/zinc/58/26/92/565582692.db2.gz BAJOMPVPTMWPPE-HIFRSBDPSA-N 1 0 396.329 2.955 20 0 GFADRO C[NH+]1CCC2(CC1)CN(C[C@H](O)COc1ccc(Cl)c(Cl)c1)CCO2 ZINC000646103414 565586626 /nfs/dbraw/zinc/58/66/26/565586626.db2.gz RKHLVNXADMPKRB-AWEZNQCLSA-N 1 0 389.323 2.530 20 0 GFADRO C[NH+]1CCC2(CC1)CN(Cc1cc3c(cc1Br)OCCO3)CCO2 ZINC000646102717 565586987 /nfs/dbraw/zinc/58/69/87/565586987.db2.gz OQOJKODQLLMJEM-UHFFFAOYSA-N 1 0 397.313 2.517 20 0 GFADRO C[C@@H](Sc1ccc(Br)cc1)C(=O)N[C@H](CO)C[NH+]1CCCC1 ZINC000646221215 565591967 /nfs/dbraw/zinc/59/19/67/565591967.db2.gz BQSPWGLLGXHYEU-OCCSQVGLSA-N 1 0 387.343 2.503 20 0 GFADRO O=C(Nc1ccc(C(F)(F)F)cc1Cl)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000667542189 565593136 /nfs/dbraw/zinc/59/31/36/565593136.db2.gz MSWHUGNQVGNWGZ-ZANVPECISA-N 1 0 375.778 2.508 20 0 GFADRO CC[C@H]1CN(C(=O)C(=O)Nc2cc(Cl)cc(C(F)(F)F)c2)CC[C@@H]1[NH3+] ZINC000667546358 565593692 /nfs/dbraw/zinc/59/36/92/565593692.db2.gz IUBWUMBWRDTCTF-ZANVPECISA-N 1 0 377.794 2.883 20 0 GFADRO Cc1csc(Sc2ccc(NC(=O)C(=O)NC[C@H](C)[NH3+])cc2Cl)n1 ZINC000667560053 565594453 /nfs/dbraw/zinc/59/44/53/565594453.db2.gz ZMFMVKBBWPNBSZ-QMMMGPOBSA-N 1 0 384.914 2.658 20 0 GFADRO Cc1cc(C)c(NC(=O)N2CN(CC[NH+](C)C)C(=O)[C@@H]2C)c(Br)c1 ZINC000646313950 565595247 /nfs/dbraw/zinc/59/52/47/565595247.db2.gz ADYUIHRXITYNBK-ZDUSSCGKSA-N 1 0 397.317 2.650 20 0 GFADRO O=C([C@H](c1ccc(Br)cc1)N1CCCC1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000646340218 565597685 /nfs/dbraw/zinc/59/76/85/565597685.db2.gz DASXGEAZDLHHDG-QGTPRVQTSA-N 1 0 392.341 2.796 20 0 GFADRO CC(C)(CCC[NH3+])NC(=O)C(=O)Nc1cc(Br)c(F)cc1Cl ZINC000667633798 565598126 /nfs/dbraw/zinc/59/81/26/565598126.db2.gz QQVICHQAIVGKPL-UHFFFAOYSA-N 1 0 394.672 2.814 20 0 GFADRO [NH3+]C1(CC(=O)Nc2cc(-c3ccc(Br)cc3)nn2CCO)CCC1 ZINC000646429255 565601962 /nfs/dbraw/zinc/60/19/62/565601962.db2.gz XXEBFVXATIYGSO-UHFFFAOYSA-N 1 0 393.285 2.515 20 0 GFADRO COc1ccc(CNC(=O)Nc2cnc3c(c2)C[NH2+]CC3)cc1Br ZINC000667796060 565605986 /nfs/dbraw/zinc/60/59/86/565605986.db2.gz ZFTNMDPCBDNTKS-UHFFFAOYSA-N 1 0 391.269 2.820 20 0 GFADRO CN(Cc1ccccc1Br)C(=O)CC[NH2+][C@@H]1CO[C@@H](C2CC2)C1 ZINC000667861753 565607506 /nfs/dbraw/zinc/60/75/06/565607506.db2.gz AZCRGUZHFMSQDY-DOTOQJQBSA-N 1 0 381.314 2.955 20 0 GFADRO Brc1ccc(C[NH2+][C@H]2CO[C@@H](C3CC3)C2)c(N2CCOCC2)c1 ZINC000667909188 565611790 /nfs/dbraw/zinc/61/17/90/565611790.db2.gz NSRIOBIYPDPKNA-SJLPKXTDSA-N 1 0 381.314 2.943 20 0 GFADRO O=C(NCCc1ccc(I)cc1)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000598393771 565613098 /nfs/dbraw/zinc/61/30/98/565613098.db2.gz REUPBRUWNKFYFC-HNNXBMFYSA-N 1 0 384.261 2.577 20 0 GFADRO CCOCCO[C@H]1CC[N@@H+]([C@H]2CCc3cc(Br)ccc3NC2=O)C1 ZINC000625261513 565613878 /nfs/dbraw/zinc/61/38/78/565613878.db2.gz FOMBFEOZWJDUCK-RDJZCZTQSA-N 1 0 397.313 2.830 20 0 GFADRO COc1ccc(Br)cc1C1(C(=O)N2CC[C@H]3C[N@H+](C)C[C@H]32)CC1 ZINC000668005695 565618452 /nfs/dbraw/zinc/61/84/52/565618452.db2.gz JFRZCDVQEAGSBO-SWLSCSKDSA-N 1 0 379.298 2.652 20 0 GFADRO CC(C)[C@H]1CN([C@H]2CCc3cc(Br)ccc3NC2=O)CC[N@@H+]1C ZINC000625372627 565624368 /nfs/dbraw/zinc/62/43/68/565624368.db2.gz HSVIGDFQDRLXTB-DLBZAZTESA-N 1 0 380.330 2.974 20 0 GFADRO Cc1[nH]c2ccc(Br)cc2c1CC(=O)N1CC[C@@H]2C[N@@H+](C)C[C@@H]21 ZINC000646915978 565625397 /nfs/dbraw/zinc/62/53/97/565625397.db2.gz YWYMZNKUROECGF-PXAZEXFGSA-N 1 0 376.298 2.944 20 0 GFADRO Cc1cc(S(=O)(=O)NC[C@H]2CCCC[N@@H+](C)C2)sc1Br ZINC000625419890 565628226 /nfs/dbraw/zinc/62/82/26/565628226.db2.gz ATRNFHMIYJPFKK-LLVKDONJSA-N 1 0 381.361 2.829 20 0 GFADRO C[N@@H+]1CCCC[C@H](CNS(=O)(=O)c2ccc(Br)c(F)c2)C1 ZINC000625420062 565628394 /nfs/dbraw/zinc/62/83/94/565628394.db2.gz CYLBKMCUNZTTOK-LLVKDONJSA-N 1 0 379.295 2.598 20 0 GFADRO CC[C@H]1CN(C(=O)c2cnn(-c3cccc(Br)c3)c2)CC[C@@H]1[NH3+] ZINC000647011679 565632230 /nfs/dbraw/zinc/63/22/30/565632230.db2.gz IUSHOVPIHYGNQQ-LRDDRELGSA-N 1 0 377.286 2.834 20 0 GFADRO CC[C@H]1CN(C(=O)C2CCN(C(=O)c3ccc(Cl)s3)CC2)CC[C@@H]1[NH3+] ZINC000647009308 565632337 /nfs/dbraw/zinc/63/23/37/565632337.db2.gz AVTPTMGUHBJQEK-JSGCOSHPSA-N 1 0 383.945 2.840 20 0 GFADRO COC(=O)C[C@H](NC(=O)CC[C@H]1CCC[NH2+]C1)c1ccc(Br)cc1 ZINC000598664778 565632900 /nfs/dbraw/zinc/63/29/00/565632900.db2.gz MUJHAFHEVZRXKG-CJNGLKHVSA-N 1 0 397.313 2.949 20 0 GFADRO COC(=O)[C@H](NC(=O)CC[C@H]1CCC[NH2+]C1)c1ccc(Br)cc1 ZINC000598663258 565632983 /nfs/dbraw/zinc/63/29/83/565632983.db2.gz BVJOEGAEUKKNTJ-MLGOLLRUSA-N 1 0 383.286 2.559 20 0 GFADRO COc1ccc(Br)cc1C(=O)CCC(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000647056003 565634367 /nfs/dbraw/zinc/63/43/67/565634367.db2.gz NSXWKJVZALRNKA-INIZCTEOSA-N 1 0 395.297 2.679 20 0 GFADRO COc1cc(C(=O)N2CCC(OCC[NH+](C)C)CC2)ccc1Br ZINC000625538699 565636304 /nfs/dbraw/zinc/63/63/04/565636304.db2.gz NKOQGJRXPXXGNC-UHFFFAOYSA-N 1 0 385.302 2.641 20 0 GFADRO COc1cc(Br)c(CN2CCC([NH+]3CCOCC3)CC2)cc1OC ZINC000625552489 565638780 /nfs/dbraw/zinc/63/87/80/565638780.db2.gz OMEOIYVVTQANDR-UHFFFAOYSA-N 1 0 399.329 2.763 20 0 GFADRO C[C@H](CNC(=O)c1cc(C(F)(F)F)ccc1Cl)C[NH+]1CCN(C)CC1 ZINC000625564875 565640451 /nfs/dbraw/zinc/64/04/51/565640451.db2.gz YOMIIFYDIGHLTQ-GFCCVEGCSA-N 1 0 377.838 2.972 20 0 GFADRO O=C1C[C@H](c2nc([C@@H]3CCC[NH2+]3)no2)CN1c1ccccc1Br ZINC000647152318 565641932 /nfs/dbraw/zinc/64/19/32/565641932.db2.gz AQOAKHROPGADJZ-JQWIXIFHSA-N 1 0 377.242 2.777 20 0 GFADRO CC(=O)N[C@H](Cc1nc([C@H]2CCC[NH2+]2)no1)c1ccc(Br)cc1 ZINC000647155190 565642101 /nfs/dbraw/zinc/64/21/01/565642101.db2.gz TWRRSMAEVPLYBM-ZIAGYGMSSA-N 1 0 379.258 2.677 20 0 GFADRO COc1ncncc1C[NH2+]C[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000647174741 565644176 /nfs/dbraw/zinc/64/41/76/565644176.db2.gz LHBMAZFFPZUVJC-CYBMUJFWSA-N 1 0 377.286 2.864 20 0 GFADRO CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N[C@H](C)c2cc(F)c(Cl)cc2Cl)C1 ZINC000668371076 565644306 /nfs/dbraw/zinc/64/43/06/565644306.db2.gz JFXBZWIQQPZGTN-GHMZBOCLSA-N 1 0 390.286 2.910 20 0 GFADRO CN(C)[C@@H](C[NH2+]Cc1ccc(S(N)(=O)=O)cc1F)c1ccc(Cl)cc1 ZINC000647188721 565644433 /nfs/dbraw/zinc/64/44/33/565644433.db2.gz GKXZTNJEOJEHOG-KRWDZBQOSA-N 1 0 385.892 2.519 20 0 GFADRO COc1ccccc1[C@H]([NH3+])CNS(=O)(=O)Cc1cccc(Br)c1 ZINC000647187334 565644726 /nfs/dbraw/zinc/64/47/26/565644726.db2.gz KHVZQUOCMTUASV-OAHLLOKOSA-N 1 0 399.310 2.577 20 0 GFADRO COCC[N@@H+]1CCC[C@H](NC(=O)c2c(Cl)cccc2Br)C1 ZINC000668373570 565645005 /nfs/dbraw/zinc/64/50/05/565645005.db2.gz DVEZHZVREWZXFU-NSHDSACASA-N 1 0 375.694 2.943 20 0 GFADRO O=S(=O)(NC[C@@H]1CCCC[NH2+]1)c1cc(Cl)c(Br)cc1F ZINC000647201283 565645379 /nfs/dbraw/zinc/64/53/79/565645379.db2.gz HPKZCSJBIIDTRQ-QMMMGPOBSA-N 1 0 385.686 2.662 20 0 GFADRO Cc1cc(S(=O)(=O)N(C2CC2)C2CC[NH2+]CC2)c(F)cc1Br ZINC000647190650 565645658 /nfs/dbraw/zinc/64/56/58/565645658.db2.gz JAESMLSBZVFPNJ-UHFFFAOYSA-N 1 0 391.306 2.802 20 0 GFADRO CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)NCC[NH2+]C2CCCCCC2)s1 ZINC000647227483 565646882 /nfs/dbraw/zinc/64/68/82/565646882.db2.gz XVEWQSYGKFPVOD-ZDUSSCGKSA-N 1 0 387.571 2.536 20 0 GFADRO CC1([NH3+])CCN(S(=O)(=O)Cc2cc(Cl)ccc2Br)CC1 ZINC000647254751 565649903 /nfs/dbraw/zinc/64/99/03/565649903.db2.gz RCILEFBEIRMKDP-UHFFFAOYSA-N 1 0 381.723 2.746 20 0 GFADRO CC(C)(C)c1nc2ccc(S(=O)(=O)N3CC[C@H]4CC[NH2+][C@H]4C3)cc2s1 ZINC000647263776 565650510 /nfs/dbraw/zinc/65/05/10/565650510.db2.gz BKWZTCJLNUNNNN-DOMZBBRYSA-N 1 0 379.551 2.966 20 0 GFADRO O=S(=O)(c1cc(Cl)c(Br)cc1F)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000647263896 565650939 /nfs/dbraw/zinc/65/09/39/565650939.db2.gz HTJBUJPRHSVUKJ-PELKAZGASA-N 1 0 397.697 2.614 20 0 GFADRO CC[C@@H]1CN(S(=O)(=O)c2ccc(Br)c(Cl)c2)CC[C@@H]1[NH3+] ZINC000647269778 565651633 /nfs/dbraw/zinc/65/16/33/565651633.db2.gz ZNRWAQSBBUOBSI-RNCFNFMXSA-N 1 0 381.723 2.850 20 0 GFADRO CC(C)(C)OC(=O)c1ccc(C[NH2+]C[C@H]2CCC[C@H]2NS(C)(=O)=O)s1 ZINC000598968526 565651770 /nfs/dbraw/zinc/65/17/70/565651770.db2.gz PAQLFJHCEQZENQ-TZMCWYRMSA-N 1 0 388.555 2.511 20 0 GFADRO CC(C)(C)OC(=O)c1ccc(C[NH2+]C[C@H]2CCC[C@@H]2NS(C)(=O)=O)s1 ZINC000598968524 565651946 /nfs/dbraw/zinc/65/19/46/565651946.db2.gz PAQLFJHCEQZENQ-OCCSQVGLSA-N 1 0 388.555 2.511 20 0 GFADRO C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+][C@H]1CC[C@@H](C)S(=O)(=O)C1 ZINC000668561512 565653217 /nfs/dbraw/zinc/65/32/17/565653217.db2.gz PCTKXTWBTGIIGQ-FMKPAKJESA-N 1 0 386.945 2.632 20 0 GFADRO C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+][C@@H]1CC[C@@H](C)S(=O)(=O)C1 ZINC000668561513 565653672 /nfs/dbraw/zinc/65/36/72/565653672.db2.gz PCTKXTWBTGIIGQ-IIAWOOMASA-N 1 0 386.945 2.632 20 0 GFADRO COC(=O)CCNC(=O)CC[NH2+]Cc1csc(-c2ccc(Cl)cc2)n1 ZINC000599008409 565653821 /nfs/dbraw/zinc/65/38/21/565653821.db2.gz OYOJPWATGWPGPK-UHFFFAOYSA-N 1 0 381.885 2.623 20 0 GFADRO C[C@H](CCCC[NH3+])NS(=O)(=O)c1ccc2c(Br)cn(C)c2c1 ZINC000647302326 565655074 /nfs/dbraw/zinc/65/50/74/565655074.db2.gz QZWUQHMQPHBIFQ-LLVKDONJSA-N 1 0 388.331 2.737 20 0 GFADRO O=S(=O)(c1ccccc1Br)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647306656 565655429 /nfs/dbraw/zinc/65/54/29/565655429.db2.gz DAULQYWMFSPGSD-KGLIPLIRSA-N 1 0 387.343 2.849 20 0 GFADRO O=C(NCCC[NH+]1CCC(O)CC1)c1ccc(OC(F)(F)F)c(Cl)c1 ZINC000625715509 565656034 /nfs/dbraw/zinc/65/60/34/565656034.db2.gz KEIFPGHPTMHOEV-UHFFFAOYSA-N 1 0 380.794 2.815 20 0 GFADRO C[C@@]12COC[C@H]1C[N@H+](Cc1ccc(Br)cc1N1CCOCC1)C2 ZINC000668596439 565656932 /nfs/dbraw/zinc/65/69/32/565656932.db2.gz HVJDZBRPMDFMLG-CRAIPNDOSA-N 1 0 381.314 2.754 20 0 GFADRO O=S(=O)(c1ccc(Br)s1)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000647323462 565657873 /nfs/dbraw/zinc/65/78/73/565657873.db2.gz OIYLGNSPJJZRMY-GHMZBOCLSA-N 1 0 379.345 2.521 20 0 GFADRO C[C@H]([NH3+])C[C@H](C)NC(=O)Nc1ccnn1Cc1ccc(Br)cc1 ZINC000647475435 565660715 /nfs/dbraw/zinc/66/07/15/565660715.db2.gz ONKOTYGOGNNBDB-RYUDHWBXSA-N 1 0 380.290 2.941 20 0 GFADRO COc1ncc(C[NH2+][C@]2(CO)CCc3cc(Br)ccc3C2)c(C)n1 ZINC000625796040 565660875 /nfs/dbraw/zinc/66/08/75/565660875.db2.gz DDWVNPUWKNNSCC-GOSISDBHSA-N 1 0 392.297 2.566 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)C(=O)NCCc1cc(Cl)cc(Cl)c1 ZINC000668667261 565661112 /nfs/dbraw/zinc/66/11/12/565661112.db2.gz VCNFZMNZBUXWDO-OAHLLOKOSA-N 1 0 386.323 2.641 20 0 GFADRO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)Nc1cccc(Cl)c1SCC(F)F ZINC000647494233 565661709 /nfs/dbraw/zinc/66/17/09/565661709.db2.gz IPHGATWXFYHOOF-DTWKUNHWSA-N 1 0 379.860 2.878 20 0 GFADRO C[NH2+]CCOCCN(C)C(=O)Nc1cc(Cl)ccc1OCC(F)(F)F ZINC000625841624 565662410 /nfs/dbraw/zinc/66/24/10/565662410.db2.gz OOQHFXVHFUEFOR-UHFFFAOYSA-N 1 0 383.798 2.981 20 0 GFADRO CCOCCOc1ccc(Br)cc1NC(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000625876644 565663345 /nfs/dbraw/zinc/66/33/45/565663345.db2.gz XAIGILQKONZVHU-WCQYABFASA-N 1 0 386.290 2.736 20 0 GFADRO Brc1cnc(CN2CC[C@H]3CC[NH2+][C@H]3C2)c(Br)c1 ZINC000647533916 565663574 /nfs/dbraw/zinc/66/35/74/565663574.db2.gz AFZWHQMXOYZWIH-SKDRFNHKSA-N 1 0 375.108 2.790 20 0 GFADRO O=C(CC[NH2+][C@H]1CCCC(F)(F)[C@@H]1O)Nc1ccc(Br)cc1 ZINC000647537635 565663764 /nfs/dbraw/zinc/66/37/64/565663764.db2.gz YLOYSFATDKEWMW-GXTWGEPZSA-N 1 0 377.229 2.916 20 0 GFADRO COc1cc(NC(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)cc(OC)c1Br ZINC000625875245 565663800 /nfs/dbraw/zinc/66/38/00/565663800.db2.gz NDHCHZIOYCBINO-CALCHBBNSA-N 1 0 398.301 2.930 20 0 GFADRO OC[C@@H](C[NH2+]C[C@@H](O)Cc1ccccc1)Cc1cc(Br)ccc1F ZINC000647536908 565663915 /nfs/dbraw/zinc/66/39/15/565663915.db2.gz ZCTDIIBEJAMNEG-QAPCUYQASA-N 1 0 396.300 2.932 20 0 GFADRO OC[C@H](C[NH2+]C[C@H](O)Cc1ccccc1)Cc1cc(Br)ccc1F ZINC000647536907 565664114 /nfs/dbraw/zinc/66/41/14/565664114.db2.gz ZCTDIIBEJAMNEG-MAUKXSAKSA-N 1 0 396.300 2.932 20 0 GFADRO COc1cc(NC(=O)N(C)CCOCC[NH3+])c(Cl)cc1Br ZINC000625900715 565665426 /nfs/dbraw/zinc/66/54/26/565665426.db2.gz CVRUBTCOGCIZTC-UHFFFAOYSA-N 1 0 380.670 2.550 20 0 GFADRO COc1ncc(Br)cc1CN1CCC(C)([NH+]2CCOCC2)CC1 ZINC000625960465 565667145 /nfs/dbraw/zinc/66/71/45/565667145.db2.gz DUEHYYUSOTWCKE-UHFFFAOYSA-N 1 0 384.318 2.539 20 0 GFADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)c1cc(Br)cc2c1OCCO2 ZINC000668829781 565669095 /nfs/dbraw/zinc/66/90/95/565669095.db2.gz PSPJQPTTYBAPEC-ZDUSSCGKSA-N 1 0 383.286 2.825 20 0 GFADRO COc1ncc(Br)cc1C[NH2+][C@@H]1CCO[C@H]1c1ccc(=O)[nH]c1 ZINC000625992258 565669104 /nfs/dbraw/zinc/66/91/04/565669104.db2.gz ZTAYKIRYXOPWPA-HIFRSBDPSA-N 1 0 380.242 2.573 20 0 GFADRO CN(Cc1cc(Br)cs1)C(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(CO)C1 ZINC000626013542 565670459 /nfs/dbraw/zinc/67/04/59/565670459.db2.gz OQGNMTLXDJAFTQ-BLLLJJGKSA-N 1 0 387.343 2.563 20 0 GFADRO Cc1cc(Br)ccc1[C@H]1CCC[N@H+]1CCN1C(=O)CN(C)C1=O ZINC000626010203 565670603 /nfs/dbraw/zinc/67/06/03/565670603.db2.gz KNJSNCBXJDRPAQ-OAHLLOKOSA-N 1 0 380.286 2.788 20 0 GFADRO C[C@@H]1C[C@@H](c2ccc(Br)cc2)C[N@@H+]1CCN1CCCS1(=O)=O ZINC000626040296 565672528 /nfs/dbraw/zinc/67/25/28/565672528.db2.gz BFZLJUIXKQMLSM-UKRRQHHQSA-N 1 0 387.343 2.662 20 0 GFADRO C[C@H]1COCC[N@@H+]1C1CCN(C(=O)COc2cccc(Br)c2)CC1 ZINC000647764446 565674596 /nfs/dbraw/zinc/67/45/96/565674596.db2.gz ZATLMXBUQXXCLZ-AWEZNQCLSA-N 1 0 397.313 2.540 20 0 GFADRO C[C@@H]1C[C@@H](N(C)C(=O)[C@@H]2CCO[C@H]2c2cncc(Br)c2)CC[N@@H+]1C ZINC000669129088 565678777 /nfs/dbraw/zinc/67/87/77/565678777.db2.gz SPXNRWGYKLVXBR-ZFVVBOAOSA-N 1 0 396.329 2.863 20 0 GFADRO C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)CSc1nncn1-c1cccc(Cl)c1 ZINC000647830117 565679284 /nfs/dbraw/zinc/67/92/84/565679284.db2.gz MUEJJDHVHNUTHI-SWLSCSKDSA-N 1 0 379.917 2.564 20 0 GFADRO CC(=O)N[C@H](CC(=O)N1CC[C@H]([NH+](C)C)[C@H]1C)c1ccc(Br)cc1 ZINC000647831957 565679613 /nfs/dbraw/zinc/67/96/13/565679613.db2.gz RVZZDQRBSFIEJN-JLZZUVOBSA-N 1 0 396.329 2.567 20 0 GFADRO Cn1cc(CC[N@@H+]2CC[C@@H](Cc3cccc(I)c3)C2)nn1 ZINC000599432642 565679791 /nfs/dbraw/zinc/67/97/91/565679791.db2.gz XVQMDLVHZKTPJS-AWEZNQCLSA-N 1 0 396.276 2.527 20 0 GFADRO C[C@H]1[C@@H]([NH+](C)C)CCN1S(=O)(=O)Cc1ccc(Cl)cc1Br ZINC000647888560 565681110 /nfs/dbraw/zinc/68/11/10/565681110.db2.gz JAJVXWMKUOQEGH-HZMBPMFUSA-N 1 0 395.750 2.957 20 0 GFADRO NC(=O)[C@H](c1ccc(Br)cc1F)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647903740 565682734 /nfs/dbraw/zinc/68/27/34/565682734.db2.gz OYFZZJDUDLFTPF-RLCCDNCMSA-N 1 0 384.293 2.579 20 0 GFADRO Cc1cccc(CC(=O)NCCCC[N@@H+]2CCC[C@@H]2CO)c1Br ZINC000626201789 565682840 /nfs/dbraw/zinc/68/28/40/565682840.db2.gz XLFFMRGRKAQINC-MRXNPFEDSA-N 1 0 383.330 2.653 20 0 GFADRO CC[C@@H]1CN(Cc2nc(Cc3cccc(Br)c3)no2)CC[C@H]1[NH3+] ZINC000647936418 565684186 /nfs/dbraw/zinc/68/41/86/565684186.db2.gz DGXWVWWJHPMDFV-UKRRQHHQSA-N 1 0 379.302 2.982 20 0 GFADRO CC[C@@H]1CN([C@H](C)C(=O)N(C)Cc2ccc(Br)cc2)CC[C@@H]1[NH3+] ZINC000647938479 565684297 /nfs/dbraw/zinc/68/42/97/565684297.db2.gz OGGHCUMKDAMDCS-UNEWFSDZSA-N 1 0 382.346 2.855 20 0 GFADRO Cc1nn(C)c(NC(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)c1Br ZINC000647983632 565685880 /nfs/dbraw/zinc/68/58/80/565685880.db2.gz IMUGWAXZPMDUBM-CYBMUJFWSA-N 1 0 384.322 2.831 20 0 GFADRO C[C@@H]1CN(C(=O)c2csc(C(F)(F)F)c2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000626311551 565687064 /nfs/dbraw/zinc/68/70/64/565687064.db2.gz IIDQNLKEHOKACO-TZMCWYRMSA-N 1 0 375.460 2.865 20 0 GFADRO C[C@@H]1CN(C(=O)c2csc(C(F)(F)F)c2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000626311550 565687487 /nfs/dbraw/zinc/68/74/87/565687487.db2.gz IIDQNLKEHOKACO-OCCSQVGLSA-N 1 0 375.460 2.865 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)NC[C@H]1CCCC[NH2+]1 ZINC000669445291 565689372 /nfs/dbraw/zinc/68/93/72/565689372.db2.gz XQBDHPHSYKOQLQ-CQSZACIVSA-N 1 0 397.317 2.527 20 0 GFADRO O=C(NCC1(c2cccc(Br)c2)CC1)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000669484660 565690117 /nfs/dbraw/zinc/69/01/17/565690117.db2.gz ILROVVFNMMQQCJ-CZUORRHYSA-N 1 0 378.314 2.874 20 0 GFADRO O=C(NCCCOc1ncc(C(F)(F)F)cc1Cl)NCC[NH2+]C1CC1 ZINC000669545599 565692133 /nfs/dbraw/zinc/69/21/33/565692133.db2.gz SECHXVGBBXHTMO-UHFFFAOYSA-N 1 0 380.798 2.574 20 0 GFADRO COC(=O)c1c(Br)ccc(NC(=O)N[C@H]2CC[C@H](C)[NH2+]C2)c1C ZINC000599607223 565692165 /nfs/dbraw/zinc/69/21/65/565692165.db2.gz UIAKVFWUGOPAMI-ONGXEEELSA-N 1 0 384.274 2.806 20 0 GFADRO C[C@@H]1CC[NH2+][C@@H](C)[C@H]1NC(=O)c1cc(=O)[nH]c2c(Br)cccc12 ZINC000648136811 565692728 /nfs/dbraw/zinc/69/27/28/565692728.db2.gz TZDPMFCNLIWPQG-FTGAXOIBSA-N 1 0 378.270 2.819 20 0 GFADRO O=C(NCCc1c[nH]c2ccc(Br)cc12)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000669557242 565692659 /nfs/dbraw/zinc/69/26/59/565692659.db2.gz ABHUFTBXADXOIK-KBPBESRZSA-N 1 0 391.313 2.724 20 0 GFADRO O=C(N[C@@H]1CC[NH2+]C2(CCC2)C1)c1cc(=O)c2cc(Br)ccc2[nH]1 ZINC000648185356 565693158 /nfs/dbraw/zinc/69/31/58/565693158.db2.gz UQDAHVPGOLSZOH-GFCCVEGCSA-N 1 0 390.281 2.695 20 0 GFADRO CCOC(=O)c1noc(CN[C@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)n1 ZINC000599627171 565693170 /nfs/dbraw/zinc/69/31/70/565693170.db2.gz JJEMJGLEUCDOLO-CYBMUJFWSA-N 1 0 387.267 2.946 20 0 GFADRO O=C(N[C@@H]1CSc2ccc(Br)cc21)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000669572173 565693304 /nfs/dbraw/zinc/69/33/04/565693304.db2.gz HHLVXJWQUARREG-LERXQTSPSA-N 1 0 382.327 2.989 20 0 GFADRO COC(=O)c1cc(NC(=O)N[C@@H]2CC[NH2+]C23CCC3)ccc1Br ZINC000599610297 565693420 /nfs/dbraw/zinc/69/34/20/565693420.db2.gz GAAUVPCGXDSUEJ-CYBMUJFWSA-N 1 0 382.258 2.642 20 0 GFADRO CC[C@H](NC(=O)N1CCO[C@H]([C@@H](C)[NH3+])C1)c1cc(F)cc(Br)c1 ZINC000669565405 565693449 /nfs/dbraw/zinc/69/34/49/565693449.db2.gz OLJOLWOVRQPGLE-ONERCXAPSA-N 1 0 388.281 2.797 20 0 GFADRO O=C(NCCc1c[nH]c2cccc(Br)c12)NC[C@H]1CCCC[NH2+]1 ZINC000669588497 565694715 /nfs/dbraw/zinc/69/47/15/565694715.db2.gz PQGRKRODRQGRJD-CYBMUJFWSA-N 1 0 379.302 2.914 20 0 GFADRO CS[C@H]1CN(C(=O)c2cc(O)cc(Br)c2)C[C@H]1[NH+]1CCCC1 ZINC000599761938 565700532 /nfs/dbraw/zinc/70/05/32/565700532.db2.gz LXAUILYGNGRQQK-CABCVRRESA-N 1 0 385.327 2.807 20 0 GFADRO CCSc1cccc(Br)c1NC(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000626569022 565701079 /nfs/dbraw/zinc/70/10/79/565701079.db2.gz RMKOEZMXCBMTCF-LLVKDONJSA-N 1 0 388.331 2.749 20 0 GFADRO CC(C)[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000669906868 565706773 /nfs/dbraw/zinc/70/67/73/565706773.db2.gz FNJJZYKWIMIONS-HWWQOWPSSA-N 1 0 383.945 2.897 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)CCC[N@@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000669943624 565708394 /nfs/dbraw/zinc/70/83/94/565708394.db2.gz XBEYMCXDOKQBGT-IYBDPMFKSA-N 1 0 397.313 2.884 20 0 GFADRO CCN(C(=O)c1ccc(F)c(I)c1)C1CC[NH+](C)CC1 ZINC000599985835 565709387 /nfs/dbraw/zinc/70/93/87/565709387.db2.gz LDBNNFSABTXWSF-UHFFFAOYSA-N 1 0 390.240 2.987 20 0 GFADRO Cn1nc2cc(Br)ccc2c1C(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000648400503 565711041 /nfs/dbraw/zinc/71/10/41/565711041.db2.gz SBFWJHOFHFRLCB-QGZVFWFLSA-N 1 0 377.286 2.504 20 0 GFADRO CCC([NH3+])(CC)CNC(=O)C(=O)Nc1cc(Cl)c(Br)cc1F ZINC000626832885 565712158 /nfs/dbraw/zinc/71/21/58/565712158.db2.gz RAZJIFLLSGHDTP-UHFFFAOYSA-N 1 0 394.672 2.814 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)C(=O)Nc2cccc(Cl)c2Cl)CC[C@@H]1C(F)(F)F ZINC000626860343 565713109 /nfs/dbraw/zinc/71/31/09/565713109.db2.gz DOEYUACQDFDMRT-IUCAKERBSA-N 1 0 398.212 2.918 20 0 GFADRO Cc1cc(NC(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)ccc1Cl ZINC000626860135 565713129 /nfs/dbraw/zinc/71/31/29/565713129.db2.gz QGKUSTYISLRXDH-PWSUYJOCSA-N 1 0 377.794 2.573 20 0 GFADRO Cc1cc(Br)c(C[NH2+]CCCN2CCCS2(=O)=O)cc1Cl ZINC000648448759 565713910 /nfs/dbraw/zinc/71/39/10/565713910.db2.gz CZKBSXTYFZAYSL-UHFFFAOYSA-N 1 0 395.750 2.926 20 0 GFADRO C[C@@H]1CC[C@H](NC(=O)C(=O)Nc2ccc(-c3ccc(Cl)s3)nc2)C[NH2+]1 ZINC000626891649 565714414 /nfs/dbraw/zinc/71/44/14/565714414.db2.gz AQUNBUGSGZCKDA-MNOVXSKESA-N 1 0 378.885 2.659 20 0 GFADRO CN(CCOCC[NH3+])C(=O)N[C@@H](c1ccc(Br)cc1)C1CCC1 ZINC000626944971 565715938 /nfs/dbraw/zinc/71/59/38/565715938.db2.gz PMVFFTSZOXAGKD-MRXNPFEDSA-N 1 0 384.318 2.907 20 0 GFADRO C[C@@H](CNC(=O)N[C@H]1CC[NH2+]C12CCC2)Oc1ccc(Br)cc1 ZINC000626989821 565717844 /nfs/dbraw/zinc/71/78/44/565717844.db2.gz KWJSPKCYXJQCMB-WFASDCNBSA-N 1 0 382.302 2.800 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)N[C@@H]2COc3ccc(Cl)cc32)CC[C@@H]1C(F)(F)F ZINC000627000492 565718722 /nfs/dbraw/zinc/71/87/22/565718722.db2.gz QCUWJZJBVRUPBU-JIMOISOXSA-N 1 0 377.794 2.942 20 0 GFADRO C[NH2+]CCOCCN(C)C(=O)NCC(C)(C)c1ccccc1Br ZINC000627001874 565719226 /nfs/dbraw/zinc/71/92/26/565719226.db2.gz NLQYORWSIPNNSF-UHFFFAOYSA-N 1 0 386.334 2.604 20 0 GFADRO Cc1cc(Br)ccc1[C@@H]1CCCN1C(=O)NCCN1CC[NH2+]CC1 ZINC000627065178 565720925 /nfs/dbraw/zinc/72/09/25/565720925.db2.gz AMCAOKDDYGCGTD-KRWDZBQOSA-N 1 0 395.345 2.509 20 0 GFADRO O=C(COc1ccc(Br)cc1)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000670392737 565721821 /nfs/dbraw/zinc/72/18/21/565721821.db2.gz HHKPOOOLGXZQOF-INIZCTEOSA-N 1 0 397.313 2.541 20 0 GFADRO C[N@@H+]1CCCC[C@@H](CNC(=O)Cc2ccc(I)cc2)C1 ZINC000600315879 565723233 /nfs/dbraw/zinc/72/32/33/565723233.db2.gz WOOLSMRQJJORLZ-AWEZNQCLSA-N 1 0 386.277 2.682 20 0 GFADRO C[N@@H+]1CCCC[C@@H](CNC(=O)c2csc(I)c2)C1 ZINC000600315281 565723407 /nfs/dbraw/zinc/72/34/07/565723407.db2.gz RDOHGSKHLPLCIO-JTQLQIEISA-N 1 0 378.279 2.814 20 0 GFADRO C[N@@H+]1CCCC[C@@H](CNC(=O)c2ccc(I)c(F)c2)C1 ZINC000600311209 565724049 /nfs/dbraw/zinc/72/40/49/565724049.db2.gz ALSBMVIKMMLHGY-NSHDSACASA-N 1 0 390.240 2.892 20 0 GFADRO CSc1ccc(NC(=O)C(=O)NCC(C)(C)[NH+](C)C)cc1Br ZINC000627159193 565724033 /nfs/dbraw/zinc/72/40/33/565724033.db2.gz AFACHCFHTAONIA-UHFFFAOYSA-N 1 0 388.331 2.566 20 0 GFADRO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)NCCc2ccc(Cl)cc2Cl)C1 ZINC000670495967 565725658 /nfs/dbraw/zinc/72/56/58/565725658.db2.gz ZOVVKTDLXDDUAZ-OAHLLOKOSA-N 1 0 386.323 2.595 20 0 GFADRO CN(Cc1cc(Br)ccc1Cl)C(=O)NCCOCCC[NH3+] ZINC000627217536 565726931 /nfs/dbraw/zinc/72/69/31/565726931.db2.gz PMNWDIFCTWXYSC-UHFFFAOYSA-N 1 0 378.698 2.609 20 0 GFADRO C[C@H](NC(=O)C(=O)N1CC[C@@H]2CC[N@H+](C)C[C@H]21)c1ccc(Cl)cc1Cl ZINC000670530078 565727085 /nfs/dbraw/zinc/72/70/85/565727085.db2.gz ISCJBZTWPZJBBW-MQIPJXDCSA-N 1 0 384.307 2.723 20 0 GFADRO Cn1nc2cc(Br)ccc2c1C(=O)NCC[N@H+](C)C1CCCC1 ZINC000648770939 565727321 /nfs/dbraw/zinc/72/73/21/565727321.db2.gz QTMRYEGZULMGJO-UHFFFAOYSA-N 1 0 379.302 2.940 20 0 GFADRO C[C@H](CC(=O)N(CC[NH+](C)C)Cc1ccccn1)n1cc(Br)cn1 ZINC000648775031 565728575 /nfs/dbraw/zinc/72/85/75/565728575.db2.gz XWWMKIQAELNAIZ-CQSZACIVSA-N 1 0 394.317 2.582 20 0 GFADRO O=C(c1sc2ccccc2c1Br)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000627267325 565729598 /nfs/dbraw/zinc/72/95/98/565729598.db2.gz MPGISGYRFHZYRN-NWDGAFQWSA-N 1 0 395.322 2.945 20 0 GFADRO O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)[C@H]1CCc2cc(Br)ccc21 ZINC000648825131 565732118 /nfs/dbraw/zinc/73/21/18/565732118.db2.gz XIQOSZIADTZZAI-WMZOPIPTSA-N 1 0 393.325 2.848 20 0 GFADRO COC1CC[NH+](CCNC(=O)c2cc3c(cncc3Br)s2)CC1 ZINC000648814682 565732397 /nfs/dbraw/zinc/73/23/97/565732397.db2.gz NKJJIGXKBLEJDZ-UHFFFAOYSA-N 1 0 398.326 2.899 20 0 GFADRO Cn1nc2cc(Br)ccc2c1C(=O)N1CC[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000648856208 565734292 /nfs/dbraw/zinc/73/42/92/565734292.db2.gz YBOAABKZGTXOEF-NHYWBVRUSA-N 1 0 377.286 2.502 20 0 GFADRO O=C(NCc1cccc(Cl)c1Cl)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000670856612 565739690 /nfs/dbraw/zinc/73/96/90/565739690.db2.gz MYPRGXZKHQDVSY-CQSZACIVSA-N 1 0 384.307 2.696 20 0 GFADRO C[NH+]1CCC2(CC1)CN(C(=O)CSc1cccc(Br)c1)CCO2 ZINC000649131449 565749816 /nfs/dbraw/zinc/74/98/16/565749816.db2.gz MDKULHJKGJJQGX-UHFFFAOYSA-N 1 0 399.354 2.864 20 0 GFADRO C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)NC1CCC1 ZINC000671081561 565752186 /nfs/dbraw/zinc/75/21/86/565752186.db2.gz NFWUTTWJBUGIQO-UHFFFAOYSA-N 1 0 386.323 2.942 20 0 GFADRO COc1c(Cl)cc(NC(=O)C(=O)NC[C@@H]2CCCC[N@H+](C)C2)cc1Cl ZINC000627827569 565754668 /nfs/dbraw/zinc/75/46/68/565754668.db2.gz CKRRCNRDPIDZIS-NSHDSACASA-N 1 0 388.295 2.789 20 0 GFADRO O=C(NC[C@@H]1CC[N@@H+]1C1CCCC1)C(=O)Nc1ccc(F)cc1Br ZINC000627906145 565761121 /nfs/dbraw/zinc/76/11/21/565761121.db2.gz JVEWRAHZVGZAKB-ZDUSSCGKSA-N 1 0 398.276 2.660 20 0 GFADRO Cc1ccc(Br)c(NC(=O)C(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)c1 ZINC000627906519 565761604 /nfs/dbraw/zinc/76/16/04/565761604.db2.gz AEXPOYZGXFADEZ-AWEZNQCLSA-N 1 0 394.313 2.829 20 0 GFADRO O=C(NC[C@@H]1CC[N@@H+]1C1CCCC1)C(=O)Nc1ccccc1Br ZINC000627905604 565762091 /nfs/dbraw/zinc/76/20/91/565762091.db2.gz QMQYWEIFGYWPQB-ZDUSSCGKSA-N 1 0 380.286 2.521 20 0 GFADRO COC[C@@H]1C[C@@H](O)C[N@@H+]1CCCC(=O)Nc1c(C)cc(Br)cc1C ZINC000649744596 565777362 /nfs/dbraw/zinc/77/73/62/565777362.db2.gz GIAMMXMSDJTNBC-JKSUJKDBSA-N 1 0 399.329 2.866 20 0 GFADRO C[C@H](O)CC[N@H+](C)Cc1cc(Cl)cc(Cl)c1OCCN1CCOCC1 ZINC000628178616 565778183 /nfs/dbraw/zinc/77/81/83/565778183.db2.gz VTCFELFKDHIHJU-AWEZNQCLSA-N 1 0 391.339 2.907 20 0 GFADRO C[C@@H](CO)C1CC[NH+](C[C@@H](O)COc2cc(F)cc(Br)c2)CC1 ZINC000649798833 565778910 /nfs/dbraw/zinc/77/89/10/565778910.db2.gz IZAYBLQKJDYETR-BLLLJJGKSA-N 1 0 390.293 2.668 20 0 GFADRO CO[C@]1(C(F)(F)F)CCC[N@H+](CCc2c(C)nc3sccn3c2=O)C1 ZINC000671688532 565779983 /nfs/dbraw/zinc/77/99/83/565779983.db2.gz IREFZILARCWZND-OAHLLOKOSA-N 1 0 375.416 2.650 20 0 GFADRO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)c1cc(Br)cnc1OCC1CC1 ZINC000671707267 565782836 /nfs/dbraw/zinc/78/28/36/565782836.db2.gz VUYYZINAKRFBTQ-OAHLLOKOSA-N 1 0 394.313 2.847 20 0 GFADRO CS[C@@H]1CN(C(=O)[C@@H](C)n2ccc(C(F)(F)F)n2)C[C@@H]1[NH+]1CCCC1 ZINC000601436662 565783347 /nfs/dbraw/zinc/78/33/47/565783347.db2.gz JSKUATLEIKJWIO-FRRDWIJNSA-N 1 0 376.448 2.501 20 0 GFADRO C[C@H]1C[C@@H]([NH3+])CN1C(=O)Nc1cc(Cl)ccc1I ZINC000601568292 565792113 /nfs/dbraw/zinc/79/21/13/565792113.db2.gz ZAVGGWBOHLPNRG-IONNQARKSA-N 1 0 379.629 2.898 20 0 GFADRO CNS(=O)(=O)c1cccc([C@H](C)[NH2+]C[C@H](CO)c2ccc(Cl)cc2)c1 ZINC000672620368 565813993 /nfs/dbraw/zinc/81/39/93/565813993.db2.gz WFNBLAUDGACVKV-XJKSGUPXSA-N 1 0 382.913 2.675 20 0 GFADRO C[C@@H](NC(=O)Nc1cccc2cc(Br)cnc21)[C@@H]1CN(C)CCO1 ZINC000672774791 565816121 /nfs/dbraw/zinc/81/61/21/565816121.db2.gz RTEIDCCFILLQIS-ABAIWWIYSA-N 1 0 393.285 2.838 20 0 GFADRO O=C(NC[C@@H](O)C(F)(F)F)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000650415339 565818926 /nfs/dbraw/zinc/81/89/26/565818926.db2.gz GSBAOPQEPADKII-CQSZACIVSA-N 1 0 377.432 2.919 20 0 GFADRO Cc1cc(Br)ccc1[C@H]1CCCN1C(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000629079423 565822348 /nfs/dbraw/zinc/82/23/48/565822348.db2.gz SPHKFAYFKSUEMT-MSOLQXFVSA-N 1 0 392.341 2.811 20 0 GFADRO CCOc1c(Br)cc(CN2C[C@@H](C[NH3+])[C@H](OCC)C2)cc1OC ZINC000650715054 565833029 /nfs/dbraw/zinc/83/30/29/565833029.db2.gz NIWBKTNXBBJLAL-CZUORRHYSA-N 1 0 387.318 2.652 20 0 GFADRO O=C(c1csc(-c2ccc(Cl)cc2)n1)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000673511463 565837971 /nfs/dbraw/zinc/83/79/71/565837971.db2.gz ACHRLMGIDTXGGY-HUUCEWRRSA-N 1 0 377.897 2.745 20 0 GFADRO O=C(c1csc(-c2ccccc2Cl)n1)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000673512272 565839046 /nfs/dbraw/zinc/83/90/46/565839046.db2.gz BQEJCONVSZHENY-QWHCGFSZSA-N 1 0 377.897 2.745 20 0 GFADRO C[C@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)Cn1cc(Br)cn1 ZINC000673749400 565845562 /nfs/dbraw/zinc/84/55/62/565845562.db2.gz IBHZYGIVNWQZMJ-HNNXBMFYSA-N 1 0 391.313 2.769 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)N1CCO[C@@H](C(F)(F)F)C1)c1ccc(Cl)cc1 ZINC000673780736 565846705 /nfs/dbraw/zinc/84/67/05/565846705.db2.gz ANBUJKGXVWKEGI-ZIAGYGMSSA-N 1 0 379.810 2.915 20 0 GFADRO C[C@@H](NC(=O)C1([S@](C)=O)CC[NH2+]CC1)c1cc(F)c(Cl)cc1Cl ZINC000602431276 565847449 /nfs/dbraw/zinc/84/74/49/565847449.db2.gz CKKLKTUOXMHCOT-WBNWAKSLSA-N 1 0 381.300 2.810 20 0 GFADRO C[NH+](C)CCn1cc(NC(=O)NCCc2ccc(F)c(Br)c2)cn1 ZINC000673868216 565850521 /nfs/dbraw/zinc/85/05/21/565850521.db2.gz ZLPIZPRLVLDEOQ-UHFFFAOYSA-N 1 0 398.280 2.711 20 0 GFADRO COC(=O)c1ccc(CN(C)[C@@H](CO)c2cccc(Br)c2)n1C ZINC000602480315 565851374 /nfs/dbraw/zinc/85/13/74/565851374.db2.gz GEGWUFBTVIRPJE-INIZCTEOSA-N 1 0 381.270 2.740 20 0 GFADRO [NH3+][C@@H]1CC=C(C(=O)NCc2cc(Cl)cc(I)c2)C1 ZINC000602516284 565852536 /nfs/dbraw/zinc/85/25/36/565852536.db2.gz XONJMNNDMZWGJY-GFCCVEGCSA-N 1 0 376.625 2.608 20 0 GFADRO Cc1cc(Br)c(Cl)cc1NC(=O)C1([S@](C)=O)CC[NH2+]CC1 ZINC000602524236 565853081 /nfs/dbraw/zinc/85/30/81/565853081.db2.gz CTMQDUBPSXMPQK-NRFANRHFSA-N 1 0 393.734 2.850 20 0 GFADRO C[C@@H]1CC[C@H](NC(=O)CCC[S@](=O)c2ccc(Br)cc2)C[NH2+]1 ZINC000602555397 565854798 /nfs/dbraw/zinc/85/47/98/565854798.db2.gz PULWXTPPQZZLST-BWFKNJDFSA-N 1 0 387.343 2.594 20 0 GFADRO CS(=O)(=O)NC[C@@H]1CCC[N@H+](CCCc2ccc(C(F)(F)F)cc2)C1 ZINC000674006434 565855571 /nfs/dbraw/zinc/85/55/71/565855571.db2.gz UKVQFKUGFGLWMU-HNNXBMFYSA-N 1 0 378.460 2.899 20 0 GFADRO C[C@H](C(=O)NCc1ccccc1Cl)N1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629564660 565859109 /nfs/dbraw/zinc/85/91/09/565859109.db2.gz IIVVRXNQJFUKHT-BNOWGMLFSA-N 1 0 377.838 2.804 20 0 GFADRO [NH3+]Cc1cccc2c1N(CC(=O)Nc1ccc(Br)cn1)CCC2 ZINC000629560708 565859304 /nfs/dbraw/zinc/85/93/04/565859304.db2.gz NFTABPBASQPGFV-UHFFFAOYSA-N 1 0 375.270 2.694 20 0 GFADRO O=C1[C@H](NC[C@H](O)C[NH+]2CCCC2)CCCN1c1ccc(Cl)cc1Cl ZINC000629573409 565860373 /nfs/dbraw/zinc/86/03/73/565860373.db2.gz BIVBUKRJQFGDOZ-GOEBONIOSA-N 1 0 386.323 2.535 20 0 GFADRO CCc1cccc(OC[C@@H](O)C[NH2+]Cc2cc(Br)cnc2OC)c1 ZINC000629593599 565861484 /nfs/dbraw/zinc/86/14/84/565861484.db2.gz RXLXRQHXIZDJMK-INIZCTEOSA-N 1 0 395.297 2.945 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1cc(=O)c2cc(Br)ccc2[nH]1 ZINC000602751925 565866601 /nfs/dbraw/zinc/86/66/01/565866601.db2.gz RPGSWMNGDGPATP-GDBMZVCRSA-N 1 0 390.281 2.647 20 0 GFADRO C[N@H+](C[C@H](O)COc1ccc(Cl)cc1Br)C[C@@H](O)C1CC1 ZINC000674313241 565868496 /nfs/dbraw/zinc/86/84/96/565868496.db2.gz IYIPKPHLQQHJRY-GXTWGEPZSA-N 1 0 378.694 2.545 20 0 GFADRO C[N@H+](C[C@@H](O)COc1ccc(Cl)cc1Br)C[C@@H](O)C1CC1 ZINC000674313244 565868857 /nfs/dbraw/zinc/86/88/57/565868857.db2.gz IYIPKPHLQQHJRY-TZMCWYRMSA-N 1 0 378.694 2.545 20 0 GFADRO COCCN(Cc1cc(Br)cs1)C(=O)C[N@H+](C)C1CCC1 ZINC000629988462 565877630 /nfs/dbraw/zinc/87/76/30/565877630.db2.gz YMTUCAPTBFLQNH-UHFFFAOYSA-N 1 0 375.332 2.970 20 0 GFADRO CCO[C@@H](CC[NH+](C)C)CNS(=O)(=O)Cc1cc(Cl)sc1Cl ZINC000651594794 565878006 /nfs/dbraw/zinc/87/80/06/565878006.db2.gz KIINSCCBVFXZRZ-NSHDSACASA-N 1 0 389.370 2.831 20 0 GFADRO C[NH2+]C1(CNC(=O)c2cnn(-c3ccc(Br)cc3)c2C)CCC1 ZINC000629999030 565879310 /nfs/dbraw/zinc/87/93/10/565879310.db2.gz SVACDUAGMLTMTO-UHFFFAOYSA-N 1 0 377.286 2.815 20 0 GFADRO CCO[C@H](CC[NH+](C)C)CNC(=O)CCc1ccc(Br)cc1F ZINC000674687329 565880456 /nfs/dbraw/zinc/88/04/56/565880456.db2.gz JPGGBYKHBSGHEE-OAHLLOKOSA-N 1 0 389.309 2.994 20 0 GFADRO O[C@H](C[N@@H+]1CC[C@H](c2cccc(Br)c2)C1)CC1(O)CCOCC1 ZINC000630048074 565880810 /nfs/dbraw/zinc/88/08/10/565880810.db2.gz YNDQIBMXGLPGEZ-RDJZCZTQSA-N 1 0 384.314 2.531 20 0 GFADRO CCOc1ccc(Br)cc1S(=O)(=O)N(C)CCCC[NH+](C)C ZINC000674719892 565881859 /nfs/dbraw/zinc/88/18/59/565881859.db2.gz JWPAHTKRDHVQCT-UHFFFAOYSA-N 1 0 393.347 2.810 20 0 GFADRO [NH3+]CCSCc1cn(Cc2nnc(-c3cc4c(s3)CCCC4)o2)nn1 ZINC000603178951 565888794 /nfs/dbraw/zinc/88/87/94/565888794.db2.gz JUQIYRPGVJGRNR-UHFFFAOYSA-N 1 0 376.511 2.509 20 0 GFADRO Cc1cc(NC(=O)[C@H](C)n2cc(CSCC[NH3+])nn2)ccc1Br ZINC000603195023 565890069 /nfs/dbraw/zinc/89/00/69/565890069.db2.gz SGHAOGZTMTVMCA-NSHDSACASA-N 1 0 398.330 2.741 20 0 GFADRO CCOC(=O)c1csc(Cn2cc([C@@H]([NH3+])c3ccc(Cl)cc3)nn2)n1 ZINC000603241115 565891064 /nfs/dbraw/zinc/89/10/64/565891064.db2.gz QUDJYMCAQNZYCX-HNNXBMFYSA-N 1 0 377.857 2.661 20 0 GFADRO CC(C)C[N@H+](C)CCCNS(=O)(=O)Cc1ccc(Br)cc1 ZINC000651768896 565891926 /nfs/dbraw/zinc/89/19/26/565891926.db2.gz HUQHWUGIFPQJEO-UHFFFAOYSA-N 1 0 377.348 2.846 20 0 GFADRO CC(=O)Nc1cc(F)c(S(=O)(=O)NCCC[N@@H+](C)CC(C)C)cc1Cl ZINC000651769408 565892228 /nfs/dbraw/zinc/89/22/28/565892228.db2.gz BXVXWWQEYWLIJW-UHFFFAOYSA-N 1 0 393.912 2.694 20 0 GFADRO C[N@@H+]1CCC[C@@H](NC(=O)[C@@H](c2ccc(Br)cc2)N2CCCC2)C1 ZINC000675137747 565892777 /nfs/dbraw/zinc/89/27/77/565892777.db2.gz HYKPDMMQNXVRTM-IAGOWNOFSA-N 1 0 380.330 2.796 20 0 GFADRO Cc1cc(C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)c(Br)s1 ZINC000675462355 565903207 /nfs/dbraw/zinc/90/32/07/565903207.db2.gz PRWHTGXSTRMOJM-GFCCVEGCSA-N 1 0 386.359 2.717 20 0 GFADRO O[C@@]1(CC[NH2+]C2CCN(Cc3ccccc3Br)CC2)CCOC1 ZINC000651943833 565906454 /nfs/dbraw/zinc/90/64/54/565906454.db2.gz GNTDGYCJNCMTBV-SFHVURJKSA-N 1 0 383.330 2.545 20 0 GFADRO CCSc1ccc(CN2C(=O)N[C@]3(CCC[NH2+]C3)C2=O)c(Br)c1 ZINC000630583905 565910000 /nfs/dbraw/zinc/91/00/00/565910000.db2.gz KBTXQHSISUISLR-INIZCTEOSA-N 1 0 398.326 2.735 20 0 GFADRO CC(C)[NH+]1CCC(NC(=O)c2ccc3cncc(Br)c3n2)CC1 ZINC000630562181 565910719 /nfs/dbraw/zinc/91/07/19/565910719.db2.gz NNFSPQJBKBJEJF-UHFFFAOYSA-N 1 0 377.286 2.995 20 0 GFADRO CN(CCC[NH2+][C@@H]1CCCOc2ccc(Br)cc21)S(C)(=O)=O ZINC000675745862 565913592 /nfs/dbraw/zinc/91/35/92/565913592.db2.gz YUVZJXRWEJQTBU-CQSZACIVSA-N 1 0 391.331 2.534 20 0 GFADRO CC(C)(C)NS(=O)(=O)CC[NH2+][C@H]1CCc2cc(Br)ccc21 ZINC000675780101 565914442 /nfs/dbraw/zinc/91/44/42/565914442.db2.gz BAYXUVPSOHHTGN-AWEZNQCLSA-N 1 0 375.332 2.744 20 0 GFADRO C[N@@H+]1CCCN(CCCNC(=O)[C@@H]2C[C@@H]2c2ccc(Br)cc2)CC1 ZINC000603811989 565915276 /nfs/dbraw/zinc/91/52/76/565915276.db2.gz BYNBFYNGACIBSZ-QZTJIDSGSA-N 1 0 394.357 2.696 20 0 GFADRO CCO[C@@H]1CN(C(=O)N[C@H](C)CCc2ccc(Br)cc2)C[C@H]1C[NH3+] ZINC000652137811 565916798 /nfs/dbraw/zinc/91/67/98/565916798.db2.gz XLCQCBUCKAQHTL-FRFSOERESA-N 1 0 398.345 2.775 20 0 GFADRO O=C(NCCCC[NH+]1CCOCC1)[C@@H]1[C@@H]2Cc3cc(Br)ccc3[C@@H]21 ZINC000630750637 565918443 /nfs/dbraw/zinc/91/84/43/565918443.db2.gz HSELGOJCGZVOPV-FGTMMUONSA-N 1 0 393.325 2.563 20 0 GFADRO C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)NCCCN1CCC[N@H+](C)CC1 ZINC000603900224 565918843 /nfs/dbraw/zinc/91/88/43/565918843.db2.gz YRVIOJJPKPDVKS-AWEZNQCLSA-N 1 0 388.339 2.905 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)C(=O)N(C)CC[NH+]1CCCCC1 ZINC000652290103 565921145 /nfs/dbraw/zinc/92/11/45/565921145.db2.gz NVWYLLAARHVRIQ-UHFFFAOYSA-N 1 0 396.329 2.894 20 0 GFADRO COCC[NH+]1CCC(NC(=O)[C@@H]2C[C@]2(C)c2cccc(Br)c2)CC1 ZINC000630832219 565921444 /nfs/dbraw/zinc/92/14/44/565921444.db2.gz DBCAGZCXCSGVDC-PKOBYXMFSA-N 1 0 395.341 2.954 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N(C)CC[NH+]2CCCCC2)cc1Br ZINC000652290527 565921748 /nfs/dbraw/zinc/92/17/48/565921748.db2.gz GKEATZJGMXXOAI-UHFFFAOYSA-N 1 0 396.329 2.949 20 0 GFADRO CCO[C@@H]1CN(Cc2ncc(-c3ccccc3Br)o2)C[C@H]1C[NH3+] ZINC000652356606 565924070 /nfs/dbraw/zinc/92/40/70/565924070.db2.gz WIKSLRPEUPVKLS-MLGOLLRUSA-N 1 0 380.286 2.900 20 0 GFADRO C[NH+](C)CCn1cc(NC(=O)Cc2csc(CCC(F)(F)F)n2)cn1 ZINC000630874372 565924906 /nfs/dbraw/zinc/92/49/06/565924906.db2.gz OTESHTRBLGSRKG-UHFFFAOYSA-N 1 0 375.420 2.577 20 0 GFADRO [NH3+]CC1(CCNS(=O)(=O)Cc2ccc(Cl)cc2Br)CC1 ZINC000652378688 565926744 /nfs/dbraw/zinc/92/67/44/565926744.db2.gz XQAJRPDFFVGIMP-UHFFFAOYSA-N 1 0 381.723 2.651 20 0 GFADRO CC(=O)Nc1cc(F)c(S(=O)(=O)N2CCC[C@@H](C)[C@H]2CC[NH3+])cc1Cl ZINC000652377438 565926751 /nfs/dbraw/zinc/92/67/51/565926751.db2.gz HFSUPGQMCKFXHI-MEBBXXQBSA-N 1 0 391.896 2.576 20 0 GFADRO COC(=O)C[C@@H]1CCCC[N@@H+]1C[C@@H](O)COc1ccc(Br)cc1 ZINC000604306500 565927317 /nfs/dbraw/zinc/92/73/17/565927317.db2.gz VUSJYAYNLHWVLH-LSDHHAIUSA-N 1 0 386.286 2.606 20 0 GFADRO COC(=O)C[C@H]1CCCC[N@@H+]1C[C@@H](O)COc1ccc(Br)cc1 ZINC000604306499 565927452 /nfs/dbraw/zinc/92/74/52/565927452.db2.gz VUSJYAYNLHWVLH-HUUCEWRRSA-N 1 0 386.286 2.606 20 0 GFADRO O=C(Nc1cc(Cl)cc(Cl)c1)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604668407 565934216 /nfs/dbraw/zinc/93/42/16/565934216.db2.gz AHJVLNLRJAQJPP-HNNXBMFYSA-N 1 0 387.311 2.521 20 0 GFADRO CCO[C@@H]1CN(C(=O)Nc2cc(Br)cc3nc(C)oc32)C[C@H]1C[NH3+] ZINC000652595816 565934583 /nfs/dbraw/zinc/93/45/83/565934583.db2.gz IROZBQYILKHDPA-QMTHXVAHSA-N 1 0 397.273 2.726 20 0 GFADRO O=C(NCCC1CC[NH2+]CC1)Nc1ccnn1-c1ccc(Br)cn1 ZINC000652601217 565935240 /nfs/dbraw/zinc/93/52/40/565935240.db2.gz BKBJEMKDEBVBOS-UHFFFAOYSA-N 1 0 393.289 2.541 20 0 GFADRO NS(=O)(=O)c1cc(C[NH2+]C2CCN(c3ccccc3)CC2)ccc1Cl ZINC000631049924 565935433 /nfs/dbraw/zinc/93/54/33/565935433.db2.gz QKYAPEWRUXGJPH-UHFFFAOYSA-N 1 0 379.913 2.746 20 0 GFADRO COc1ccccc1OCCC[NH2+]Cc1ccc(Cl)c(S(N)(=O)=O)c1 ZINC000631066350 565936511 /nfs/dbraw/zinc/93/65/11/565936511.db2.gz BWDAEBALGFGHDC-UHFFFAOYSA-N 1 0 384.885 2.555 20 0 GFADRO C[C@@H](C[NH2+]Cc1cn(C[C@H]2CCOC2)nn1)Oc1ccccc1Br ZINC000631081898 565938410 /nfs/dbraw/zinc/93/84/10/565938410.db2.gz BNDUTGAKUXOWBX-UONOGXRCSA-N 1 0 395.301 2.634 20 0 GFADRO COc1cc(Cl)ccc1S(=O)(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000676497587 565941179 /nfs/dbraw/zinc/94/11/79/565941179.db2.gz DKCKWPCNBUPBSQ-BBRMVZONSA-N 1 0 384.929 2.986 20 0 GFADRO COc1cc(C[NH2+]C[C@@H]2CCCS(=O)(=O)C2)c(F)cc1Br ZINC000631137321 565944153 /nfs/dbraw/zinc/94/41/53/565944153.db2.gz ZKHFKEANILJRDA-JTQLQIEISA-N 1 0 380.279 2.511 20 0 GFADRO CSc1ncc(Cl)c(C(=O)N2CCN(C)C[C@H]2Cc2ccccc2)n1 ZINC000652883105 565944900 /nfs/dbraw/zinc/94/49/00/565944900.db2.gz GTXKNBXAISWZNL-CQSZACIVSA-N 1 0 376.913 2.851 20 0 GFADRO Cc1ncc([C@H](C)[NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)s1 ZINC000631226068 565950128 /nfs/dbraw/zinc/95/01/28/565950128.db2.gz FEPXPCLTMWHGGC-QMMMGPOBSA-N 1 0 390.328 2.712 20 0 GFADRO CC[C@@H](C(=O)N(C)CC(=O)Nc1ccccc1Br)[NH+](CC)CC ZINC000605424262 565951010 /nfs/dbraw/zinc/95/10/10/565951010.db2.gz MAUQYXOYNWVNFG-HNNXBMFYSA-N 1 0 384.318 2.966 20 0 GFADRO O=C(NCCOc1ncc(C(F)(F)F)cc1Cl)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653122128 565955446 /nfs/dbraw/zinc/95/54/46/565955446.db2.gz NGAJHXLMMIAWOR-CHWSQXEVSA-N 1 0 377.794 2.779 20 0 GFADRO O=C(NC[C@@H]1CCN(c2cccc(Br)c2)C1)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653112543 565955640 /nfs/dbraw/zinc/95/56/40/565955640.db2.gz AODGYMWVIUKYOT-DOPJRALCSA-N 1 0 392.341 2.922 20 0 GFADRO COc1ccc(Br)c(C(=O)N2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)c1 ZINC000653190653 565958546 /nfs/dbraw/zinc/95/85/46/565958546.db2.gz MYINFEVRCLRZBN-DCGLDWPTSA-N 1 0 397.313 2.816 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(C(=O)COc3cccc(Br)c3)C2)C1 ZINC000653191570 565958601 /nfs/dbraw/zinc/95/86/01/565958601.db2.gz YAXFKXDMABYQQC-UNEWFSDZSA-N 1 0 397.313 2.573 20 0 GFADRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1ccc2cncc(Br)c2n1 ZINC000631465163 565958954 /nfs/dbraw/zinc/95/89/54/565958954.db2.gz LXLKHVRNWQSWHB-ABAIWWIYSA-N 1 0 377.286 2.805 20 0 GFADRO CCC1([NH+](C)C)CCN(c2ccc(S(N)(=O)=O)cc2C(F)(F)F)CC1 ZINC000631477915 565960322 /nfs/dbraw/zinc/96/03/22/565960322.db2.gz ZAKUWLJRHGEWLQ-UHFFFAOYSA-N 1 0 379.448 2.663 20 0 GFADRO C[C@H](CNC(=O)c1cc(=O)[nH]c2ccc(Br)cc21)[NH+]1CCCC1 ZINC000606366302 565962868 /nfs/dbraw/zinc/96/28/68/565962868.db2.gz DVLRIRVZQIHUPL-LLVKDONJSA-N 1 0 378.270 2.917 20 0 GFADRO COC1CC[NH+](CCNC(=O)[C@H]2C[C@]2(C)c2cccc(Br)c2)CC1 ZINC000631671885 565966284 /nfs/dbraw/zinc/96/62/84/565966284.db2.gz IMGQFDYIDQNBSC-IEBWSBKVSA-N 1 0 395.341 2.954 20 0 GFADRO CCN(CCCNC(=O)NCc1n[nH]cc1Br)c1ccccc1 ZINC000606480536 565966287 /nfs/dbraw/zinc/96/62/87/565966287.db2.gz SHPKYUPEBGQGFL-UHFFFAOYSA-N 1 0 380.290 2.888 20 0 GFADRO CNS(=O)(=O)CCC[NH2+][C@@H](c1ccco1)c1ccc(Br)cc1 ZINC000631708652 565968480 /nfs/dbraw/zinc/96/84/80/565968480.db2.gz GTCKNUQCEMGJFD-OAHLLOKOSA-N 1 0 387.299 2.660 20 0 GFADRO C[NH+]1CCC(N(Cc2ccco2)C(=O)NCc2n[nH]cc2Br)CC1 ZINC000606694661 565969721 /nfs/dbraw/zinc/96/97/21/565969721.db2.gz FPOSDFAXULVDSB-UHFFFAOYSA-N 1 0 396.289 2.571 20 0 GFADRO CC1CC[NH+](Cc2ccccc2CNS(=O)(=O)c2c[nH]c(=O)s2)CC1 ZINC000631752079 565971141 /nfs/dbraw/zinc/97/11/41/565971141.db2.gz ANTSCKGIMUSOFW-UHFFFAOYSA-N 1 0 381.523 2.559 20 0 GFADRO C[C@H]1CCC[N@H+](Cc2ccc(CNS(=O)(=O)c3c[nH]c(=O)s3)cc2)C1 ZINC000631748313 565971318 /nfs/dbraw/zinc/97/13/18/565971318.db2.gz BYFNZQBLICBJDD-ZDUSSCGKSA-N 1 0 381.523 2.559 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNS(=O)(=O)c1c[nH]c(=O)s1 ZINC000631756950 565972631 /nfs/dbraw/zinc/97/26/31/565972631.db2.gz SNWHRBLSSIWEKG-CYBMUJFWSA-N 1 0 381.523 2.702 20 0 GFADRO [NH3+]C[C@H]1CCCCN1S(=O)(=O)c1cnc2c(Br)csc2c1 ZINC000631902518 565982133 /nfs/dbraw/zinc/98/21/33/565982133.db2.gz KGYFDSJHWZZPRU-SECBINFHSA-N 1 0 390.328 2.561 20 0 GFADRO Cc1cc(Cl)c(Br)cc1S(=O)(=O)N1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000631905385 565982310 /nfs/dbraw/zinc/98/23/10/565982310.db2.gz LPVWIWAHBUIVPY-CABZTGNLSA-N 1 0 381.723 2.769 20 0 GFADRO CCC(C)(C)[NH+]1CCN([C@@H](C(N)=O)c2ccc(Br)cc2F)CC1 ZINC000653810366 565984361 /nfs/dbraw/zinc/98/43/61/565984361.db2.gz AKLBIQVDOJEVFS-OAHLLOKOSA-N 1 0 386.309 2.921 20 0 GFADRO C[C@@H]1C[C@@H]([NH3+])CCN1S(=O)(=O)c1cnc2c(Br)csc2c1 ZINC000631949233 565985758 /nfs/dbraw/zinc/98/57/58/565985758.db2.gz YDUSECYYLHOYMA-BDAKNGLRSA-N 1 0 390.328 2.559 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(Cl)c(NS(C)(=O)=O)c2)[C@@H](C)C1 ZINC000607664304 565987569 /nfs/dbraw/zinc/98/75/69/565987569.db2.gz BMMAGKBZLDJOSC-BLLLJJGKSA-N 1 0 387.933 2.514 20 0 GFADRO CN(Cc1cc(Br)cs1)C(=O)C[N@@H+]1CCC[C@@H](CCO)C1 ZINC000607733041 565988424 /nfs/dbraw/zinc/98/84/24/565988424.db2.gz HHUAMUJEHYMJBL-LBPRGKRZSA-N 1 0 375.332 2.563 20 0 GFADRO COc1ccc(S(=O)(=O)N2CCC[C@@H]3C[NH2+]CC[C@H]32)c(Cl)c1Cl ZINC000631994670 565990072 /nfs/dbraw/zinc/99/00/72/565990072.db2.gz PMLNMOHSSJBBFC-GHMZBOCLSA-N 1 0 379.309 2.765 20 0 GFADRO C[NH+](C)CCCNC(=O)N1CCN(CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000677981323 565991907 /nfs/dbraw/zinc/99/19/07/565991907.db2.gz BZFAEBYJJUQQLL-UHFFFAOYSA-N 1 0 387.355 2.815 20 0 GFADRO C[N@@H+]1CCC[C@H](CNS(=O)(=O)c2cc([O-])cc(F)c2)[C@@H]1c1cccs1 ZINC000632028104 565991925 /nfs/dbraw/zinc/99/19/25/565991925.db2.gz UWTXFUJXIXECSG-SJKOYZFVSA-N 1 0 384.498 2.954 20 0 GFADRO C[N@@H+]1CCC[C@H](CNS(=O)(=O)c2cc([O-])cc(F)c2)[C@H]1c1cccs1 ZINC000632028102 565992408 /nfs/dbraw/zinc/99/24/08/565992408.db2.gz UWTXFUJXIXECSG-PXAZEXFGSA-N 1 0 384.498 2.954 20 0 GFADRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)c2cc(Br)cnc2OCC2CC2)C1 ZINC000654063847 565995029 /nfs/dbraw/zinc/99/50/29/565995029.db2.gz YDGTZFYEGRVXSD-XBXGTLAGSA-N 1 0 382.302 2.703 20 0 GFADRO Cc1c(Br)csc1C(=O)Nc1ccc(=O)n(CC[NH+](C)C)c1 ZINC000632115421 566000731 /nfs/dbraw/zinc/00/07/31/566000731.db2.gz RRQPSJFSNMBZDJ-UHFFFAOYSA-N 1 0 384.299 2.795 20 0 GFADRO C[C@@H]1C[C@H]1N1C[C@@H]([NH2+]CC2=Cc3cc(Br)ccc3OC2)CC1=O ZINC000608072043 566002233 /nfs/dbraw/zinc/00/22/33/566002233.db2.gz LQWAXEKXEYNLIV-XFBWCDHKSA-N 1 0 377.282 2.824 20 0 GFADRO C[C@@H]1C[C@@H]1N1C[C@H]([NH2+]Cc2cc(Br)c3c(c2)OCCCO3)CC1=O ZINC000608072828 566002585 /nfs/dbraw/zinc/00/25/85/566002585.db2.gz VTSMCOSIACYEES-KYOSRNDESA-N 1 0 395.297 2.709 20 0 GFADRO Brc1cncc(NCCCC[NH+]2CCN(c3ncccn3)CC2)c1 ZINC000608082331 566003655 /nfs/dbraw/zinc/00/36/55/566003655.db2.gz IRGMXTMUWYDXFA-UHFFFAOYSA-N 1 0 391.317 2.648 20 0 GFADRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N1CCOc2cccc(Br)c2C1 ZINC000654487444 566010738 /nfs/dbraw/zinc/01/07/38/566010738.db2.gz IVQNIALUMYMYNX-MLGOLLRUSA-N 1 0 394.313 2.836 20 0 GFADRO C[C@@H](COc1ccc2cc(Br)ccc2c1)[NH2+]CCc1nnnn1C ZINC000678546754 566012504 /nfs/dbraw/zinc/01/25/04/566012504.db2.gz LEUHXRZKLLLIIN-LBPRGKRZSA-N 1 0 390.285 2.725 20 0 GFADRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)N[C@@H]2COc3cc(F)c(Br)cc32)C1 ZINC000654557032 566014691 /nfs/dbraw/zinc/01/46/91/566014691.db2.gz GWCDCSARQFSAFG-ISTVAULSSA-N 1 0 386.265 2.661 20 0 GFADRO C[C@H](NC(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12)c1ncc(Br)cn1 ZINC000654573523 566015968 /nfs/dbraw/zinc/01/59/68/566015968.db2.gz HYHDDBNWOUVTJA-FPMFFAJLSA-N 1 0 382.306 2.616 20 0 GFADRO C[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc(Br)c3ccccc23)C1 ZINC000678667034 566016262 /nfs/dbraw/zinc/01/62/62/566016262.db2.gz BXBMJRATJQTWOB-LBPRGKRZSA-N 1 0 390.281 2.751 20 0 GFADRO C[N@H+](CCCCNC(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1)C1CC1 ZINC000654635215 566017647 /nfs/dbraw/zinc/01/76/47/566017647.db2.gz NYFMTLOYBHYKMW-UHFFFAOYSA-N 1 0 384.929 2.637 20 0 GFADRO O=C(N[C@H](CO)c1ccc(Br)cc1)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000654732179 566021013 /nfs/dbraw/zinc/02/10/13/566021013.db2.gz UJBPEBCBLPLPJN-GVDBMIGSSA-N 1 0 396.329 2.799 20 0 GFADRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1S(=O)(=O)c1cscc1Br ZINC000632337335 566023078 /nfs/dbraw/zinc/02/30/78/566023078.db2.gz XXAZKCWEMDBPRE-JQWIXIFHSA-N 1 0 379.345 2.758 20 0 GFADRO C[C@H](Oc1ccc(Cl)cc1Br)C(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000654834122 566025166 /nfs/dbraw/zinc/02/51/66/566025166.db2.gz UVINXDYNZOBQMQ-SRVKXCTJSA-N 1 0 387.705 2.938 20 0 GFADRO Cc1ccc(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1I ZINC000609070653 566029826 /nfs/dbraw/zinc/02/98/26/566029826.db2.gz HHTAHTRGFDSMKG-GJZGRUSLSA-N 1 0 384.261 2.956 20 0 GFADRO O=C(Nc1cc(Br)ccc1F)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000654947054 566031641 /nfs/dbraw/zinc/03/16/41/566031641.db2.gz OLNMTMOPVLAJIT-ZFWWWQNUSA-N 1 0 398.276 2.660 20 0 GFADRO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)c1ccc(F)cc1I ZINC000609383505 566037958 /nfs/dbraw/zinc/03/79/58/566037958.db2.gz QYYNDERWYQBICY-GFCCVEGCSA-N 1 0 388.224 2.644 20 0 GFADRO C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)c1oc2ccccc2c1Br ZINC000632529038 566041629 /nfs/dbraw/zinc/04/16/29/566041629.db2.gz UJMIIAHTQATEGH-ZDUSSCGKSA-N 1 0 394.313 2.951 20 0 GFADRO C[N@@H+]1CC[C@@H](C(=O)NCCSCCOc2cccc(Br)c2)C1 ZINC000609551475 566044281 /nfs/dbraw/zinc/04/42/81/566044281.db2.gz IROOTBBOLWXLQH-CYBMUJFWSA-N 1 0 387.343 2.629 20 0 GFADRO CC[N@@H+](CC(=O)Nc1ccc(I)cc1)C[C@H]1CCOC1 ZINC000609631626 566047316 /nfs/dbraw/zinc/04/73/16/566047316.db2.gz HIQIRGXVWYVUJA-GFCCVEGCSA-N 1 0 388.249 2.588 20 0 GFADRO C[N@@H+]1CCCN(CCCNC(=O)c2cccc(Br)c2Cl)CC1 ZINC000679636296 566047877 /nfs/dbraw/zinc/04/78/77/566047877.db2.gz MZDOWJAXAOQRNW-UHFFFAOYSA-N 1 0 388.737 2.860 20 0 GFADRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)CNC(=O)c2sc3ccccc3c2Cl)C1 ZINC000655246819 566049550 /nfs/dbraw/zinc/04/95/50/566049550.db2.gz WCFKXZWDXXDYNY-TXEJJXNPSA-N 1 0 379.913 2.741 20 0 GFADRO O=C(N[C@@H](CCO)c1ccccc1Br)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000679775548 566052299 /nfs/dbraw/zinc/05/22/99/566052299.db2.gz IAJGPYMPKHZWRT-CPUCHLNUSA-N 1 0 396.329 2.799 20 0 GFADRO O=C(NC[C@@H]1CCN(c2ccc(Br)cc2)C1)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000655445976 566057142 /nfs/dbraw/zinc/05/71/42/566057142.db2.gz WCZIWLCZEFZNSU-UCLAIMLFSA-N 1 0 392.341 2.781 20 0 GFADRO CO[C@H](C(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2)c1ccccc1Br ZINC000655451153 566057691 /nfs/dbraw/zinc/05/76/91/566057691.db2.gz DBVGJNWFZHLTBT-SJCJKPOMSA-N 1 0 390.281 2.986 20 0 GFADRO COc1cc(Br)ccc1CCCNC(=O)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000655471629 566058920 /nfs/dbraw/zinc/05/89/20/566058920.db2.gz KXSHQQBJHRELLV-QAPCUYQASA-N 1 0 381.314 2.896 20 0 GFADRO CN(C)Cc1ccc(NC(=O)c2cnn(CC[NH+](C)C)c2)cc1Br ZINC000632702308 566060241 /nfs/dbraw/zinc/06/02/41/566060241.db2.gz LZTKFGFEEKNLRM-UHFFFAOYSA-N 1 0 394.317 2.521 20 0 GFADRO [NH3+]CCc1ccccc1C(=O)N1CCOc2cccc(Br)c2C1 ZINC000655502918 566061346 /nfs/dbraw/zinc/06/13/46/566061346.db2.gz CYHWNZMQDZZSFE-UHFFFAOYSA-N 1 0 375.266 2.985 20 0 GFADRO [NH3+]C[C@H](NC(=O)C1(c2ccc(Br)cc2)CCOCC1)C(F)(F)F ZINC000655511324 566062147 /nfs/dbraw/zinc/06/21/47/566062147.db2.gz BEAFSYPEBNZPLB-LBPRGKRZSA-N 1 0 395.219 2.503 20 0 GFADRO O[C@H](COc1ccc(Cl)c(Cl)c1)C[N@@H+]1CCOCC2(CCOCC2)C1 ZINC000680134252 566063500 /nfs/dbraw/zinc/06/35/00/566063500.db2.gz ZXHDBBGTKPMYTC-AWEZNQCLSA-N 1 0 390.307 2.862 20 0 GFADRO Cc1c(Br)cccc1CS(=O)(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000655552257 566067549 /nfs/dbraw/zinc/06/75/49/566067549.db2.gz MLOZQVNBDPAHRD-XJKSGUPXSA-N 1 0 387.343 2.613 20 0 GFADRO O=C(c1cc(=O)[nH]c2ccc(Br)cc21)N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000632858527 566071160 /nfs/dbraw/zinc/07/11/60/566071160.db2.gz MJENZNRTARWVAV-MEDUHNTESA-N 1 0 390.281 2.917 20 0 GFADRO [NH3+][C@@H]1CCCCCN(C(=O)Nc2cc(Br)cnc2-n2cccn2)C1 ZINC000632935479 566075285 /nfs/dbraw/zinc/07/52/85/566075285.db2.gz PKUXANISQCZCDD-CYBMUJFWSA-N 1 0 393.289 2.765 20 0 GFADRO C[C@H]1C[C@H]([NH3+])CN1C(=O)Nc1ccnn1Cc1ccc(Br)cc1 ZINC000632936830 566075464 /nfs/dbraw/zinc/07/54/64/566075464.db2.gz PWRCGAUVBJSMOE-FZMZJTMJSA-N 1 0 378.274 2.647 20 0 GFADRO C[C@H]1C[C@H]([NH3+])CN1C(=O)Nc1cc(Br)cc(C(=O)N2CCCC2)c1 ZINC000632943078 566076485 /nfs/dbraw/zinc/07/64/85/566076485.db2.gz VGTIXCWFVGUQJG-FZMZJTMJSA-N 1 0 395.301 2.639 20 0 GFADRO C[N@@H+]1CCC[C@H](NC(=O)Nc2cc(F)c(F)cc2I)C1 ZINC000610334856 566078834 /nfs/dbraw/zinc/07/88/34/566078834.db2.gz VHGOINDYIRTAOO-QMMMGPOBSA-N 1 0 395.191 2.785 20 0 GFADRO C[NH+](C)CCn1cc(C(=O)N[C@H](CCO)c2ccc(Cl)c(Cl)c2)cn1 ZINC000633031408 566079738 /nfs/dbraw/zinc/07/97/38/566079738.db2.gz LYUZPZKMXDDJLQ-MRXNPFEDSA-N 1 0 385.295 2.605 20 0 GFADRO CC(=O)Nc1ccc(S(=O)(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1Cl ZINC000655668776 566080216 /nfs/dbraw/zinc/08/02/16/566080216.db2.gz IWXWHQHZQXTQHY-IRXDYDNUSA-N 1 0 385.917 2.594 20 0 GFADRO O=S(=O)(Cc1cccc(Br)c1)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000655669101 566081340 /nfs/dbraw/zinc/08/13/40/566081340.db2.gz XCGNFTQRNWHOSW-HZPDHXFCSA-N 1 0 387.343 2.885 20 0 GFADRO Cc1nn(-c2cccc(Br)c2)cc1C[NH2+][C@@H]1CCCCNC1=O ZINC000655714929 566084457 /nfs/dbraw/zinc/08/44/57/566084457.db2.gz GAIXSGVIRJNHPS-MRXNPFEDSA-N 1 0 377.286 2.702 20 0 GFADRO CCCN(CC[NH+](CC)CC)S(=O)(=O)c1ccc([C@H](C)NC(C)=O)s1 ZINC000680860131 566085662 /nfs/dbraw/zinc/08/56/62/566085662.db2.gz YFBVQYHZRIMVAM-AWEZNQCLSA-N 1 0 389.587 2.688 20 0 GFADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)NCc1ccsc1C(F)(F)F ZINC000633172869 566087232 /nfs/dbraw/zinc/08/72/32/566087232.db2.gz LZFWCYCPPDFWLI-GFCCVEGCSA-N 1 0 378.464 2.592 20 0 GFADRO CC[C@@H]1[C@@H](C(=O)N2CC[C@H](Oc3cncc(Br)c3)C2)CC[N@@H+]1C ZINC000633166888 566087654 /nfs/dbraw/zinc/08/76/54/566087654.db2.gz JRYYTYBDZXYEGT-CWRNSKLLSA-N 1 0 382.302 2.554 20 0 GFADRO Cc1nn(-c2ccccc2Br)cc1C[NH2+]C[C@@H](CO)[C@H]1CCOC1 ZINC000655768350 566088872 /nfs/dbraw/zinc/08/88/72/566088872.db2.gz WLMWYMCYTJJQPR-HOCLYGCPSA-N 1 0 394.313 2.678 20 0 GFADRO Cc1nn(-c2ccccc2Br)cc1C[NH2+][C@H](CO)[C@H]1CCCOC1 ZINC000655781798 566089840 /nfs/dbraw/zinc/08/98/40/566089840.db2.gz SLNGRIGYIFUPNT-WMLDXEAASA-N 1 0 394.313 2.820 20 0 GFADRO C[C@H](c1ccccc1)[C@@H](CO)[NH2+][C@@H](C(N)=O)c1cccc(Br)c1 ZINC000680991413 566090110 /nfs/dbraw/zinc/09/01/10/566090110.db2.gz HSTYNTXSYHDTES-CSMYWGQOSA-N 1 0 377.282 2.730 20 0 GFADRO Cc1nn(-c2ccccc2Br)cc1C[NH2+][C@@H](CO)[C@H]1CCCOC1 ZINC000655781799 566090576 /nfs/dbraw/zinc/09/05/76/566090576.db2.gz SLNGRIGYIFUPNT-YOEHRIQHSA-N 1 0 394.313 2.820 20 0 GFADRO O=C(N[C@H]1CCC[N@@H+](CCCO)C1)c1oc2ccccc2c1Br ZINC000633255821 566091448 /nfs/dbraw/zinc/09/14/48/566091448.db2.gz DQJWJIWMJPLXCP-LBPRGKRZSA-N 1 0 381.270 2.772 20 0 GFADRO Cn1nnc2c1CC[C@H]([NH2+]CC1=Cc3cc(Br)ccc3OC1)C2 ZINC000655841531 566093216 /nfs/dbraw/zinc/09/32/16/566093216.db2.gz FINNWHBKEHQDHK-AWEZNQCLSA-N 1 0 375.270 2.501 20 0 GFADRO [NH3+]C[C@H](NC(=O)NCCCc1ccc(Br)cc1F)C(F)(F)F ZINC000655916633 566094760 /nfs/dbraw/zinc/09/47/60/566094760.db2.gz FPDVNFVYRHFEOF-NSHDSACASA-N 1 0 386.187 2.710 20 0 GFADRO C[C@H](c1ccc(Cl)cc1)N1CCN(C(=O)N[C@H](C[NH3+])C(F)(F)F)CC1 ZINC000655917947 566094920 /nfs/dbraw/zinc/09/49/20/566094920.db2.gz BURRDNAPMSSIRZ-BXUZGUMPSA-N 1 0 378.826 2.618 20 0 GFADRO C[C@H](NC(=O)N[C@@H](C[NH3+])C(F)(F)F)c1noc(-c2ccc(Cl)cc2)n1 ZINC000655920117 566095266 /nfs/dbraw/zinc/09/52/66/566095266.db2.gz KTQNGWBTIJFBCN-XVKPBYJWSA-N 1 0 377.754 2.640 20 0 GFADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)Cc1cccc(I)c1 ZINC000610758831 566097462 /nfs/dbraw/zinc/09/74/62/566097462.db2.gz UUCIROOFZWFJBD-HNNXBMFYSA-N 1 0 386.277 2.824 20 0 GFADRO Cc1c(Br)cccc1CS(=O)(=O)N1CC2CCC1(C[NH3+])CC2 ZINC000655954653 566099140 /nfs/dbraw/zinc/09/91/40/566099140.db2.gz FHPPYIJLZOALDN-UHFFFAOYSA-N 1 0 387.343 2.791 20 0 GFADRO Cc1c(Br)cccc1CS(=O)(=O)N1CCC[C@H](C)[C@H]1C[NH3+] ZINC000655950473 566099213 /nfs/dbraw/zinc/09/92/13/566099213.db2.gz LUPYLWAMZNUDSH-XHDPSFHLSA-N 1 0 375.332 2.647 20 0 GFADRO CC[NH+](CC)[C@@H](CNS(=O)(=O)Cc1csc(C)n1)Cc1ccccc1 ZINC000681313522 566101261 /nfs/dbraw/zinc/10/12/61/566101261.db2.gz WEXSJOXUBBDLMY-GOSISDBHSA-N 1 0 381.567 2.824 20 0 GFADRO Brc1csc2cnc(N3CC[NH+](C[C@@H]4CCCO4)CC3)nc12 ZINC000656106066 566104156 /nfs/dbraw/zinc/10/41/56/566104156.db2.gz KSBTURVAVFQIJY-NSHDSACASA-N 1 0 383.315 2.755 20 0 GFADRO C[C@@H](NC(=O)c1cccc(F)c1I)C1CC[NH+](C)CC1 ZINC000611002545 566110097 /nfs/dbraw/zinc/11/00/97/566110097.db2.gz LVEYEPJHPBBMEK-SNVBAGLBSA-N 1 0 390.240 2.890 20 0 GFADRO CN(CCC[NH+](C)C)CCNC(=O)c1oc2ccccc2c1Br ZINC000633620004 566111477 /nfs/dbraw/zinc/11/14/77/566111477.db2.gz YWCXKXXTAUSSMJ-UHFFFAOYSA-N 1 0 382.302 2.809 20 0 GFADRO CC[N@@H+]1CCN(C(=O)Nc2ccc(F)cc2I)C[C@@H]1C ZINC000611097897 566113297 /nfs/dbraw/zinc/11/32/97/566113297.db2.gz JOBDJUAQQJWKHI-JTQLQIEISA-N 1 0 391.228 2.988 20 0 GFADRO O=C(Cc1ccc(F)cc1Br)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000681620574 566118986 /nfs/dbraw/zinc/11/89/86/566118986.db2.gz CYOLPOYRZXXWQD-MRXNPFEDSA-N 1 0 399.304 2.844 20 0 GFADRO Cc1nn(-c2cccc(Br)c2)cc1C[N@@H+]1CC[C@H](CC(N)=O)C1 ZINC000656259949 566119324 /nfs/dbraw/zinc/11/93/24/566119324.db2.gz GEVHQQMKFBAHJC-CYBMUJFWSA-N 1 0 377.286 2.641 20 0 GFADRO Cc1nn(-c2ccccc2Br)cc1C[N@@H+]1CC[C@H](CC(N)=O)C1 ZINC000656260929 566120371 /nfs/dbraw/zinc/12/03/71/566120371.db2.gz ZEPDUYOEKFDWFF-CYBMUJFWSA-N 1 0 377.286 2.641 20 0 GFADRO Brc1ccn2cc(CN3CCC[C@@H]([NH+]4CCOCC4)CC3)nc2c1 ZINC000656281465 566121949 /nfs/dbraw/zinc/12/19/49/566121949.db2.gz YNUKCPZOMUNUOG-QGZVFWFLSA-N 1 0 393.329 2.784 20 0 GFADRO O=C(NC[C@@H]1CCC[NH2+]C1)c1coc(-c2ccc(Br)cc2F)n1 ZINC000656359734 566125367 /nfs/dbraw/zinc/12/53/67/566125367.db2.gz QDNFWRNJORNVNK-SNVBAGLBSA-N 1 0 382.233 2.973 20 0 GFADRO CS[C@@H]1CN(C[C@H](O)COc2ccc(Cl)c(Cl)c2)C[C@H]1[NH+](C)C ZINC000611432603 566128957 /nfs/dbraw/zinc/12/89/57/566128957.db2.gz WBCGRPYMNSUDSL-IUIKQTSFSA-N 1 0 379.353 2.711 20 0 GFADRO CC[N@@H+]1CCCC[C@H]1CNC(=O)c1cnc2ncc(Br)cc2c1 ZINC000682000545 566137142 /nfs/dbraw/zinc/13/71/42/566137142.db2.gz DICJYSXFGMLNOU-HNNXBMFYSA-N 1 0 377.286 2.997 20 0 GFADRO CN(CCC[NH2+][C@@H](c1ccc(Br)s1)C1CC1)S(C)(=O)=O ZINC000682191072 566146314 /nfs/dbraw/zinc/14/63/14/566146314.db2.gz OODSNLIBQJSXIF-CYBMUJFWSA-N 1 0 381.361 2.833 20 0 GFADRO Cc1cc(NC(=O)C(=O)N[C@@H](C)C2CC[NH+](C)CC2)ccc1Br ZINC000682194596 566146955 /nfs/dbraw/zinc/14/69/55/566146955.db2.gz GACPMSWRUOCSAN-LBPRGKRZSA-N 1 0 382.302 2.543 20 0 GFADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)Nc1cccc(C)c1Br ZINC000682275310 566149156 /nfs/dbraw/zinc/14/91/56/566149156.db2.gz ZGXSFVMSYHQCEX-ZDUSSCGKSA-N 1 0 382.302 2.687 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N(C)CCCC[NH+](C)C)c(Br)c1 ZINC000682279291 566149513 /nfs/dbraw/zinc/14/95/13/566149513.db2.gz LTBHIGCQRJAFKZ-UHFFFAOYSA-N 1 0 384.318 2.805 20 0 GFADRO Cc1c(Br)cccc1NC(=O)C(=O)N1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000682351992 566149868 /nfs/dbraw/zinc/14/98/68/566149868.db2.gz HCZKTJKWERGZOZ-CYBMUJFWSA-N 1 0 382.302 2.685 20 0 GFADRO CN(CCCC[NH+](C)C)C(=O)Nc1ccc(NS(C)(=O)=O)c(Cl)c1 ZINC000682416799 566152627 /nfs/dbraw/zinc/15/26/27/566152627.db2.gz IYUKDZXZLZEVRJ-UHFFFAOYSA-N 1 0 376.910 2.517 20 0 GFADRO C[C@@H](C[S@](C)=O)[NH2+]Cc1sc(N2CCOCC2)nc1-c1ccccc1 ZINC000612201841 566154318 /nfs/dbraw/zinc/15/43/18/566154318.db2.gz DASBHHNURVPQPR-SXBQZSJRSA-N 1 0 379.551 2.503 20 0 GFADRO C[C@H]1CCC[C@@H](C[NH2+]CCS(=O)(=O)c2cccc(Br)c2)O1 ZINC000656710917 566155812 /nfs/dbraw/zinc/15/58/12/566155812.db2.gz NYWWCOMRRFVVPI-JSGCOSHPSA-N 1 0 376.316 2.770 20 0 GFADRO CC(C)(C)N1CC[C@@H]1C[NH2+]C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000656702274 566155934 /nfs/dbraw/zinc/15/59/34/566155934.db2.gz NOQXOQBQLMKFFB-CABCVRRESA-N 1 0 389.309 2.790 20 0 GFADRO O[C@H](C[NH2+]CC1(Cc2ccc(Br)cc2)CC1)COC1CCOCC1 ZINC000656708820 566156224 /nfs/dbraw/zinc/15/62/24/566156224.db2.gz KFSPVKPAWHKDAL-QGZVFWFLSA-N 1 0 398.341 2.918 20 0 GFADRO C[C@H](CNC(=O)C(=O)NCc1ccc(Cl)c(Cl)c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000612416863 566161272 /nfs/dbraw/zinc/16/12/72/566161272.db2.gz UTCGZJYGEYSFRT-CHWSQXEVSA-N 1 0 386.323 2.846 20 0 GFADRO C[NH+](C)CCOCCNC(=O)N1CCC[C@H]1c1ccccc1Br ZINC000682615008 566165476 /nfs/dbraw/zinc/16/54/76/566165476.db2.gz WTSZVAPMGOMEBZ-INIZCTEOSA-N 1 0 384.318 2.874 20 0 GFADRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2nn(C(C)(C)C)cc2Br)C1 ZINC000612647674 566168138 /nfs/dbraw/zinc/16/81/38/566168138.db2.gz CNYZFELMDBXJEA-JSGCOSHPSA-N 1 0 383.334 2.957 20 0 GFADRO [NH3+]C[C@H]1CCN(Cc2cc(=O)n3cc(Br)ccc3n2)c2ccccc21 ZINC000634688788 566171438 /nfs/dbraw/zinc/17/14/38/566171438.db2.gz CURPZESLGBFZCY-CYBMUJFWSA-N 1 0 399.292 2.910 20 0 GFADRO C[C@H]([NH2+]C[C@H](O)CC1(O)CCOCC1)c1ccc(Br)cc1F ZINC000634714236 566171757 /nfs/dbraw/zinc/17/17/57/566171757.db2.gz IGAHWKWUIGVSSG-WCQYABFASA-N 1 0 376.266 2.531 20 0 GFADRO CC(=O)N1CCC[C@H](C[NH2+]C[C@@H](O)COc2cc(Cl)cc(Cl)c2)C1 ZINC000634713086 566171899 /nfs/dbraw/zinc/17/18/99/566171899.db2.gz QCBDTVPOMMQBGK-CZUORRHYSA-N 1 0 375.296 2.581 20 0 GFADRO Cc1nc(CS(=O)(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cs1 ZINC000682836300 566172182 /nfs/dbraw/zinc/17/21/82/566172182.db2.gz RUHSCGZJAWOKEQ-KSSFIOAISA-N 1 0 379.551 2.782 20 0 GFADRO Cc1nc(CS(=O)(=O)NCC2([NH+]3CCSCC3)CCCCC2)cs1 ZINC000682833550 566172535 /nfs/dbraw/zinc/17/25/35/566172535.db2.gz MEVMPUNIKGRIQT-UHFFFAOYSA-N 1 0 389.612 2.623 20 0 GFADRO C[C@H]([NH2+]C[C@@H](O)CC1(O)CCOCC1)c1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC000634727393 566173794 /nfs/dbraw/zinc/17/37/94/566173794.db2.gz SPQNQTWWYXGNNF-QWRGUYRKSA-N 1 0 388.295 2.813 20 0 GFADRO CCn1c(CNC(=O)NCCC[NH+](C)C)nc2cc(Br)ccc21 ZINC000682845500 566173778 /nfs/dbraw/zinc/17/37/78/566173778.db2.gz PXEHYSKXXPBPCU-UHFFFAOYSA-N 1 0 382.306 2.570 20 0 GFADRO O=C(N[C@@H]1CC12CC[NH2+]CC2)N1CCO[C@@H](c2cccc(Br)c2)C1 ZINC000612970706 566180350 /nfs/dbraw/zinc/18/03/50/566180350.db2.gz LFKWRIDRHKHCBD-HZPDHXFCSA-N 1 0 394.313 2.674 20 0 GFADRO O=C(NCc1cc2cc(Br)ccc2[nH]1)N[C@@H]1CC12CC[NH2+]CC2 ZINC000612980954 566181315 /nfs/dbraw/zinc/18/13/15/566181315.db2.gz XDSAPQRAAPGQBZ-OAHLLOKOSA-N 1 0 377.286 2.872 20 0 GFADRO COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)N1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000683026133 566181417 /nfs/dbraw/zinc/18/14/17/566181417.db2.gz NQSLJTLCPOQASZ-LLVKDONJSA-N 1 0 388.295 2.930 20 0 GFADRO COc1cc(Br)ccc1[C@H](C)NC(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000612982937 566181556 /nfs/dbraw/zinc/18/15/56/566181556.db2.gz KQTJWMZIATXNNO-XHDPSFHLSA-N 1 0 382.302 2.960 20 0 GFADRO O=C(N[C@@H]1CC12CC[NH2+]CC2)N1CCN(c2ccc(Cl)cc2Cl)CC1 ZINC000612996898 566182283 /nfs/dbraw/zinc/18/22/83/566182283.db2.gz TXXDVBSBHNVGJR-MRXNPFEDSA-N 1 0 383.323 2.967 20 0 GFADRO C[C@H](CC(F)(F)F)CS(=O)(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000656913909 566182326 /nfs/dbraw/zinc/18/23/26/566182326.db2.gz DBUCDCFKDDDWEM-CYBMUJFWSA-N 1 0 378.460 2.594 20 0 GFADRO Cc1cn2c(C[NH2+]C3CCN(S(=O)(=O)C(C)(C)C)CC3)c(C)nc2s1 ZINC000683147699 566185351 /nfs/dbraw/zinc/18/53/51/566185351.db2.gz KEVVHHNYBRCYIW-UHFFFAOYSA-N 1 0 384.571 2.695 20 0 GFADRO O=S1(=O)CCC[C@@H]([NH2+][C@H](CCO)c2cccc(OC(F)(F)F)c2)CC1 ZINC000634984719 566188094 /nfs/dbraw/zinc/18/80/94/566188094.db2.gz AFSYLXQTJVBRNA-UKRRQHHQSA-N 1 0 381.416 2.566 20 0 GFADRO C[N@@H+]1CCC[C@@H](NC(=O)c2cnc3c(Cl)cc(Br)cc3c2O)C1 ZINC000683262353 566191268 /nfs/dbraw/zinc/19/12/68/566191268.db2.gz SSDIFJXHXALSKM-SNVBAGLBSA-N 1 0 398.688 2.768 20 0 GFADRO C[C@@H](NC(=O)[C@@H]1CCO[C@H]1c1cncc(Br)c1)C1=CC[N@H+](C)CC1 ZINC000613374543 566196857 /nfs/dbraw/zinc/19/68/57/566196857.db2.gz GWILDFITQLXZPE-JLZZUVOBSA-N 1 0 394.313 2.688 20 0 GFADRO C[NH+](C)C[C@@H]1CN(C(=O)c2ncc(Br)s2)c2ccccc2O1 ZINC000683410897 566199001 /nfs/dbraw/zinc/19/90/01/566199001.db2.gz CBODCSMTUJFTBK-SNVBAGLBSA-N 1 0 382.283 2.875 20 0 GFADRO CCCOc1ccc(Br)cc1S(=O)(=O)NC[C@H](C)C[NH+](C)C ZINC000656994451 566202048 /nfs/dbraw/zinc/20/20/48/566202048.db2.gz MWKMMNCTTOHFEL-LBPRGKRZSA-N 1 0 393.347 2.714 20 0 GFADRO CC(C)[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCO[C@H]2c2cncc(Br)c2)C1 ZINC000613577899 566202710 /nfs/dbraw/zinc/20/27/10/566202710.db2.gz YQXKNYCAOGWHET-ZACQAIPSSA-N 1 0 396.329 2.911 20 0 GFADRO CCCOC[C@@H](Cc1cccc(Br)c1)NC(=O)C1([NH+](C)C)CC1 ZINC000613610444 566203731 /nfs/dbraw/zinc/20/37/31/566203731.db2.gz HBMANWJTYLVDCX-MRXNPFEDSA-N 1 0 383.330 2.997 20 0 GFADRO C[N@@H+]1CCCC[C@@H]1C(=O)NCc1cnn(-c2ccc(Br)cc2)c1 ZINC000683647772 566207805 /nfs/dbraw/zinc/20/78/05/566207805.db2.gz CZOMXBPDYSNFFO-MRXNPFEDSA-N 1 0 377.286 2.735 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@@H](CNS(=O)(=O)Cc2cccc(Br)c2)C1 ZINC000657034630 566210136 /nfs/dbraw/zinc/21/01/36/566210136.db2.gz TXXMMFDVYPCRMZ-AWEZNQCLSA-N 1 0 389.359 2.989 20 0 GFADRO C[C@@H]([NH2+]Cc1c(Br)cnn1C)[C@@H](c1ccccc1)N1CCOCC1 ZINC000683763890 566213192 /nfs/dbraw/zinc/21/31/92/566213192.db2.gz HZYAMFDUKRPJDF-KDOFPFPSSA-N 1 0 393.329 2.734 20 0 GFADRO Cc1ccc(F)c(C(=O)NCCCC[NH+]2CCN(C)CC2)c1Br ZINC000683820961 566215244 /nfs/dbraw/zinc/21/52/44/566215244.db2.gz HTARYSNEQCKGQZ-UHFFFAOYSA-N 1 0 386.309 2.654 20 0 GFADRO CS(=O)(=O)N1CCC([NH2+][C@@H]2CSc3ccc(Br)cc32)CC1 ZINC000683824237 566215354 /nfs/dbraw/zinc/21/53/54/566215354.db2.gz HJYDOVHOUIZJHL-CYBMUJFWSA-N 1 0 391.356 2.610 20 0 GFADRO Cc1nc(CS(=O)(=O)N2CCC[N@H+](Cc3ccccc3C)CC2)cs1 ZINC000684095019 566225541 /nfs/dbraw/zinc/22/55/41/566225541.db2.gz AQBOVQFTAZLKRG-UHFFFAOYSA-N 1 0 379.551 2.798 20 0 GFADRO CC[NH+](CC)CCCN(Cc1ccc(Cl)cc1)S(=O)(=O)[C@@H]1CCOC1 ZINC000657121938 566225725 /nfs/dbraw/zinc/22/57/25/566225725.db2.gz CPBJWVJRQLCOJE-GOSISDBHSA-N 1 0 388.961 2.993 20 0 GFADRO C[C@H]1C[C@H](NC(=O)N2CCOc3c(Br)cccc3C2)C[N@@H+]1C1CC1 ZINC000684273290 566232000 /nfs/dbraw/zinc/23/20/00/566232000.db2.gz YTQQWDRAGMLQMH-JSGCOSHPSA-N 1 0 394.313 2.978 20 0 GFADRO O=S1(=O)CC(CC[NH2+]Cc2ccc(Br)cc2C(F)(F)F)C1 ZINC000684405931 566235364 /nfs/dbraw/zinc/23/53/64/566235364.db2.gz RNRHTVKYIFIQRO-UHFFFAOYSA-N 1 0 386.233 2.992 20 0 GFADRO C[C@H]([NH2+]CCCCn1cc(Br)cn1)c1cccc(-n2cnnn2)c1 ZINC000684556863 566238570 /nfs/dbraw/zinc/23/85/70/566238570.db2.gz GACBMXJXDJXYOZ-ZDUSSCGKSA-N 1 0 390.289 2.752 20 0 GFADRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)Nc1cc(-c2nn[nH]n2)cn1C(C)(C)C ZINC000736401851 598838621 /nfs/dbraw/zinc/83/86/21/598838621.db2.gz ZAZVHYWMGYJNER-OAHLLOKOSA-N 1 0 388.520 2.809 20 0 GFADRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000736267848 598868102 /nfs/dbraw/zinc/86/81/02/598868102.db2.gz PPRLFWNBIIZHMC-FUHWJXTLSA-N 1 0 382.512 2.522 20 0 GFADRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(CCOc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000736266831 598871541 /nfs/dbraw/zinc/87/15/41/598871541.db2.gz KMSQACHZGSUNFG-ROUUACIJSA-N 1 0 384.528 2.832 20 0 GFADRO C[C@@H](C(=O)N1CCC(Oc2ccc(-c3nn[nH]n3)cc2)CC1)[NH+]1CCCCCC1 ZINC000735519081 598905217 /nfs/dbraw/zinc/90/52/17/598905217.db2.gz ISEXFDPTGXCSQW-INIZCTEOSA-N 1 0 398.511 2.501 20 0 GFADRO O=C(C=Cc1ccccc1-c1nn[nH]n1)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000737804014 598928157 /nfs/dbraw/zinc/92/81/57/598928157.db2.gz XWBTXGFKANWODY-HYSAVQALSA-N 1 0 388.475 2.661 20 0 GFADRO CCO[C@H]1C[C@H]([N@H+](C)Cn2c(C)nnc2-c2cccc(-c3nn[nH]n3)c2)C1(C)C ZINC000736612461 598954753 /nfs/dbraw/zinc/95/47/53/598954753.db2.gz PBCNHPQPKCTDPL-IRXDYDNUSA-N 1 0 396.499 2.527 20 0 GFADRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(c2c3ccccc3nnc2-c2nn[nH]n2)C1 ZINC000736236102 598959400 /nfs/dbraw/zinc/95/94/00/598959400.db2.gz GWSCBBJAKBWEPW-ZNMIVQPWSA-N 1 0 378.484 2.652 20 0 GFADRO C[NH+](C)[C@@H](CNc1c2ccccc2nnc1-c1nn[nH]n1)c1ccc(F)cc1 ZINC000736759255 598960195 /nfs/dbraw/zinc/96/01/95/598960195.db2.gz LDAJRNXYCWQRFN-INIZCTEOSA-N 1 0 378.415 2.664 20 0 GFADRO COc1cc(-c2nn[nH]n2)ccc1OCC[NH2+]C1(c2ccccc2)CCOCC1 ZINC000737032393 598988219 /nfs/dbraw/zinc/98/82/19/598988219.db2.gz KVCFHBDKOJVKEK-UHFFFAOYSA-N 1 0 395.463 2.550 20 0 GFADRO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)c2ccc(-c3nn[nH]n3)nc2)cc1 ZINC000736268267 599022275 /nfs/dbraw/zinc/02/22/75/599022275.db2.gz RUYSMEWYFTZMPR-HNNXBMFYSA-N 1 0 391.479 2.566 20 0 GFADRO C[C@@H](CC[NH+](C)C)NC(=O)c1cccc(COc2cccc(-c3nn[nH]n3)c2)c1 ZINC000735986745 599032174 /nfs/dbraw/zinc/03/21/74/599032174.db2.gz PVIVPHLWYHSLBJ-HNNXBMFYSA-N 1 0 394.479 2.516 20 0 GFADRO Fc1ccc(OC2CC[NH+](CCOc3ccccc3-c3nn[nH]n3)CC2)cc1 ZINC000737656557 599081618 /nfs/dbraw/zinc/08/16/18/599081618.db2.gz OMCAQVWXSHXSFJ-UHFFFAOYSA-N 1 0 383.427 2.928 20 0 GFADRO C[C@@H](CNC(=O)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)C(C)(C)C ZINC000736018946 599106217 /nfs/dbraw/zinc/10/62/17/599106217.db2.gz YBYLRPPAGAACGN-INIZCTEOSA-N 1 0 399.543 2.766 20 0 GFADRO O=C1O[C@H](C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C2CC2)CN1c1ccccc1 ZINC000738318666 599132337 /nfs/dbraw/zinc/13/23/37/599132337.db2.gz LTVSKDMNVMZSPB-LJQANCHMSA-N 1 0 390.447 2.857 20 0 GFADRO Cc1ccccc1[C@H](O)C[NH+]1CCC(Oc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000737422072 599133646 /nfs/dbraw/zinc/13/36/46/599133646.db2.gz PENBGFNYEMVYNE-HXUWFJFHSA-N 1 0 379.464 2.752 20 0 GFADRO C[C@@H](c1ccc(-c2nn[nH]n2)cc1)[NH+]1CCN(c2ncnc3ccsc32)CC1 ZINC000736197886 599137287 /nfs/dbraw/zinc/13/72/87/599137287.db2.gz CPWGMASYZCPVIO-ZDUSSCGKSA-N 1 0 392.492 2.755 20 0 GFADRO C[C@@H]1CCC[C@H](C)C[N@H+]1CC(=O)Nc1c(-c2nn[nH]n2)cnn1-c1ccccc1 ZINC000736243993 599139644 /nfs/dbraw/zinc/13/96/44/599139644.db2.gz BTKGUVPRGYBCBB-LSDHHAIUSA-N 1 0 394.483 2.501 20 0 GFADRO O=C(CC[N@@H+]1CC[C@H](Cc2ccccc2)C1)Nc1cccc(-c2nn[nH]n2)c1 ZINC000737839491 599140206 /nfs/dbraw/zinc/14/02/06/599140206.db2.gz UBMILCHIYNKKDO-QGZVFWFLSA-N 1 0 376.464 2.760 20 0 GFADRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736204046 599161852 /nfs/dbraw/zinc/16/18/52/599161852.db2.gz PNVMUSSWRCBKOO-INIZCTEOSA-N 1 0 390.491 2.751 20 0 GFADRO O=C(C=Cc1ccccc1-c1nn[nH]n1)O[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000737803122 599221843 /nfs/dbraw/zinc/22/18/43/599221843.db2.gz RQCNACWCDCTSTR-DOJUMQAQSA-N 1 0 375.432 2.698 20 0 GFADRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000821596279 599241227 /nfs/dbraw/zinc/24/12/27/599241227.db2.gz FSNFJAMTYSRKBD-QGZVFWFLSA-N 1 0 391.479 2.853 20 0 GFADRO C[C@H]1C[NH+](C(C)(C)CNc2cc(-c3nn[nH]n3)nc3ccccc32)C[C@H](C)O1 ZINC000736293268 599264091 /nfs/dbraw/zinc/26/40/91/599264091.db2.gz SODONJIEUPEQJJ-KBPBESRZSA-N 1 0 381.484 2.715 20 0 GFADRO C[C@H](CNc1c(-c2nn[nH]n2)cnc2ccccc21)[N@@H+]1CCc2sccc2C1 ZINC000736027168 599269161 /nfs/dbraw/zinc/26/91/61/599269161.db2.gz YVZCJZVPAHEYCQ-CYBMUJFWSA-N 1 0 391.504 2.757 20 0 GFADRO C[C@](CO)([NH2+]Cc1ccccc1-c1nn[nH]n1)c1cccc(C(F)(F)F)c1 ZINC000736038325 599270967 /nfs/dbraw/zinc/27/09/67/599270967.db2.gz UGXIYAQPFPMUBP-QGZVFWFLSA-N 1 0 377.370 2.883 20 0 GFADRO C[C@H](NC(=O)CCCCOc1cccc(-c2nn[nH]n2)c1)C(C)(C)C[NH+](C)C ZINC000736097683 599278276 /nfs/dbraw/zinc/27/82/76/599278276.db2.gz COGZENPAUHBRMK-HNNXBMFYSA-N 1 0 388.516 2.508 20 0 GFADRO CC[NH+](CC)[C@H]1CCN(C(=O)Nc2ccc(-c3nn[nH]n3)c(C(F)(F)F)c2)C1 ZINC000821181239 599292187 /nfs/dbraw/zinc/29/21/87/599292187.db2.gz KUXZQTOJVCFWEM-LBPRGKRZSA-N 1 0 397.405 2.834 20 0 GFADRO C[NH+](C)CCOc1ccc(CNc2snc(Cl)c2-c2nn[nH]n2)cc1 ZINC000736769427 598239688 /nfs/dbraw/zinc/23/96/88/598239688.db2.gz SNNXHAPXJQEKAD-UHFFFAOYSA-N 1 0 379.877 2.529 20 0 GFADRO Cc1ccc([C@H](CNc2nc3c(cc2-c2nn[nH]n2)CCC3)[NH+]2CCCC2)o1 ZINC000737320001 598247056 /nfs/dbraw/zinc/24/70/56/598247056.db2.gz LCEFDFSTCIJDOI-KRWDZBQOSA-N 1 0 379.468 2.901 20 0 GFADRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)N(Cc2ccc(-c3nn[nH]n3)cc2)C2CC2)C1 ZINC000735883484 598270627 /nfs/dbraw/zinc/27/06/27/598270627.db2.gz ZMWOJUQQLRHZOJ-QGZVFWFLSA-N 1 0 397.527 2.661 20 0 GFADRO C[C@H](CNC(=O)Nc1cc(-c2nn[nH]n2)cn1C(C)(C)C)[N@@H+]1CCCC[C@H]1C ZINC000736269922 598278211 /nfs/dbraw/zinc/27/82/11/598278211.db2.gz ZESCDUWNWZFOTA-ZIAGYGMSSA-N 1 0 388.520 2.808 20 0 GFADRO C[C@H](CNC(=S)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)C[NH+]1CCCC1 ZINC000736026872 598320261 /nfs/dbraw/zinc/32/02/61/598320261.db2.gz ZTMOKCUQHCBXLA-LLVKDONJSA-N 1 0 379.921 2.538 20 0 GFADRO C[C@H](NC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1)c1ccc(-c2nn[nH]n2)cc1 ZINC000736111833 598483305 /nfs/dbraw/zinc/48/33/05/598483305.db2.gz FZMJOWPEMDZJGT-YJBOKZPZSA-N 1 0 383.500 2.588 20 0 GFADRO CCCO[C@H]1CCC[N@H+](CC(=O)Nc2cc(Cl)ccc2-c2nn[nH]n2)CC1 ZINC000736489024 598507094 /nfs/dbraw/zinc/50/70/94/598507094.db2.gz SIMQEPRDMXSAIY-AWEZNQCLSA-N 1 0 392.891 2.740 20 0 GFADRO C[C@@H]([NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1cc(Cl)ccc1Cl ZINC000736137322 598527266 /nfs/dbraw/zinc/52/72/66/598527266.db2.gz WUCHXFUYGBXNEW-NXEZZACHSA-N 1 0 393.282 2.763 20 0 GFADRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000736457359 598540323 /nfs/dbraw/zinc/54/03/23/598540323.db2.gz ODMJPWKDSMVGPZ-MAUKXSAKSA-N 1 0 385.516 2.882 20 0 GFADRO C[NH+](C)CCCNC(=S)Nc1ccc(Oc2cccc(-c3nn[nH]n3)c2)cc1 ZINC000736767780 598551584 /nfs/dbraw/zinc/55/15/84/598551584.db2.gz SFDKKROCLNMMIG-UHFFFAOYSA-N 1 0 397.508 2.897 20 0 GFADRO CC(=O)N1CCCCC[C@@H]1C1CC[NH+](Cc2ccccc2-c2nn[nH]n2)CC1 ZINC000735464403 598594707 /nfs/dbraw/zinc/59/47/07/598594707.db2.gz ANWDCOJATMZOOX-HXUWFJFHSA-N 1 0 382.512 2.870 20 0 GFADRO CCC(CC)[N@H+](CCOC)CC(=O)Nc1cc(Cl)ccc1-c1nn[nH]n1 ZINC000736346256 598614211 /nfs/dbraw/zinc/61/42/11/598614211.db2.gz WTGDERYZLQUAIV-UHFFFAOYSA-N 1 0 380.880 2.596 20 0 GFADRO O=C(Nc1ccc(F)c(-c2nn[nH]n2)c1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000738167819 598631659 /nfs/dbraw/zinc/63/16/59/598631659.db2.gz VXBVBELETYOJLJ-UHFFFAOYSA-N 1 0 395.442 2.792 20 0 GFADRO Fc1ccc(C[N@@H+]2CCCN(Cc3ccc(F)cc3-c3nn[nH]n3)CC2)cc1 ZINC000737646831 598678868 /nfs/dbraw/zinc/67/88/68/598678868.db2.gz ACRFJSJOBWDYLE-UHFFFAOYSA-N 1 0 384.434 2.853 20 0 GFADRO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C=Cc2ccccc2-c2nn[nH]n2)C1 ZINC000736402899 598694260 /nfs/dbraw/zinc/69/42/60/598694260.db2.gz PVPPEIBWUKSTSG-JNSOCZORSA-N 1 0 382.512 2.897 20 0 GFADRO CC[NH+](CC)C[C@H](C)Nc1c(-c2nn[nH]n2)cnc2ccc(OC(F)F)cc21 ZINC000736532340 598745882 /nfs/dbraw/zinc/74/58/82/598745882.db2.gz BBHDUOZDKPHCLZ-NSHDSACASA-N 1 0 391.426 2.580 20 0 GFADRO COc1cccc([C@@H](C)[NH+]2CCN(c3cccc(F)c3-c3nn[nH]n3)CC2)c1 ZINC000737122889 598757022 /nfs/dbraw/zinc/75/70/22/598757022.db2.gz YAULDTZSHWRQFC-CQSZACIVSA-N 1 0 382.443 2.898 20 0 GFADRO C[C@@H]1c2ccccc2OCC[N@H+]1CCC(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000736302362 598763101 /nfs/dbraw/zinc/76/31/01/598763101.db2.gz GPRSKEWCVMKUCU-CQSZACIVSA-N 1 0 378.436 2.651 20 0 GFADRO CCC[N@@H+]1CC[C@H](CNC(=O)Nc2ccc(-c3nn[nH]n3)c(C(F)(F)F)c2)C1 ZINC000821110252 599294368 /nfs/dbraw/zinc/29/43/68/599294368.db2.gz YSAZZRAVISSWQA-LLVKDONJSA-N 1 0 397.405 2.739 20 0 GFADRO O=C(Nc1ccc(-c2nn[nH]n2)c(C(F)(F)F)c1)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000823303651 599295762 /nfs/dbraw/zinc/29/57/62/599295762.db2.gz PORDKIUGKOXXMQ-ZIAGYGMSSA-N 1 0 395.389 2.634 20 0 GFADRO C[C@H]1CN(C(=O)c2cccc(Oc3ccc(-c4nn[nH]n4)cc3)c2)C[C@H]1[NH+](C)C ZINC000736292624 599296220 /nfs/dbraw/zinc/29/62/20/599296220.db2.gz PORVZUSAUBUMFT-IFXJQAMLSA-N 1 0 392.463 2.681 20 0 GFADRO COc1ccc([C@@H]([NH2+]CCC(=O)Nc2cccc(-c3nn[nH]n3)c2)C2CC2)cc1 ZINC000821777908 599302110 /nfs/dbraw/zinc/30/21/10/599302110.db2.gz OJGJYNNGJJSRLQ-FQEVSTJZSA-N 1 0 392.463 2.945 20 0 GFADRO Cc1cc(N2CCC[C@@H]([NH2+][C@@H](C)c3ccc(-c4nn[nH]n4)cc3)C2)nc(C)n1 ZINC000737272014 599317421 /nfs/dbraw/zinc/31/74/21/599317421.db2.gz OZZLGZKUSOQBAQ-KBXCAEBGSA-N 1 0 378.484 2.593 20 0 GFADRO C[C@H]([NH2+]CC(=O)Nc1ccc(F)c(F)c1F)c1ccc(-c2nn[nH]n2)cc1 ZINC000820419327 599362012 /nfs/dbraw/zinc/36/20/12/599362012.db2.gz GIYZPSUWCWHAQQ-VIFPVBQESA-N 1 0 376.342 2.573 20 0 GFADRO COc1cc(OC)c(CC[NH2+][C@H](C)c2ccc(-c3nn[nH]n3)cc2)c(OC)c1 ZINC000821723896 599376613 /nfs/dbraw/zinc/37/66/13/599376613.db2.gz LTTVFRBGPWCUIF-CYBMUJFWSA-N 1 0 383.452 2.786 20 0 GFADRO COc1ccc(C)cc1NC(=O)[C@H](C)[NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1 ZINC000821782695 599387253 /nfs/dbraw/zinc/38/72/53/599387253.db2.gz KZMOGJKDHYWVCS-KBPBESRZSA-N 1 0 380.452 2.862 20 0 GFADRO Cc1cc(NC(=O)c2sccc2-c2nn[nH]n2)ccc1OCC[NH+]1CCCC1 ZINC000737275463 599391751 /nfs/dbraw/zinc/39/17/51/599391751.db2.gz VXXULQYBQBSSJX-UHFFFAOYSA-N 1 0 398.492 2.964 20 0 GFADRO COc1ccc(C[NH2+]C[C@H](c2ccco2)N2CCCCC2)cc1-c1nn[nH]n1 ZINC000821808354 599394017 /nfs/dbraw/zinc/39/40/17/599394017.db2.gz FJBZRZKHSYXTJU-QGZVFWFLSA-N 1 0 382.468 2.785 20 0 GFADRO CCCOc1ccc(C[NH2+]Cc2ccc(OC)c(-c3nn[nH]n3)c2)cc1OC ZINC000821134075 599400856 /nfs/dbraw/zinc/40/08/56/599400856.db2.gz NATSGVNAFWYVJA-UHFFFAOYSA-N 1 0 383.452 2.963 20 0 GFADRO COc1ccc(C[NH2+][C@H](C)c2ccc3c(c2)OCCCO3)cc1-c1nn[nH]n1 ZINC000821804375 599404455 /nfs/dbraw/zinc/40/44/55/599404455.db2.gz MEPHTFWDSWMWFZ-CYBMUJFWSA-N 1 0 381.436 2.887 20 0 GFADRO C[C@H](NC(=O)NCCCC[N@@H+]1CCCC[C@H]1C)c1cccc(-c2nn[nH]n2)c1 ZINC000820367922 599416235 /nfs/dbraw/zinc/41/62/35/599416235.db2.gz VRIIPLHXGJFCLY-CVEARBPZSA-N 1 0 385.516 2.882 20 0 GFADRO C[C@@H]([NH2+]Cc1cccc(OCc2ccccc2-c2nn[nH]n2)c1)[C@H]1CCOC1 ZINC000820438807 599449045 /nfs/dbraw/zinc/44/90/45/599449045.db2.gz WVEJNQYDJFVTEO-WBVHZDCISA-N 1 0 379.464 2.960 20 0 GFADRO C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@@H+]1CC(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000736238720 599478453 /nfs/dbraw/zinc/47/84/53/599478453.db2.gz ZQPBSLWFNRZEEV-CJNGLKHVSA-N 1 0 380.427 2.822 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)c1cccc(Nc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000738026504 599565718 /nfs/dbraw/zinc/56/57/18/599565718.db2.gz TUAJTKFGKKFZFO-GOSISDBHSA-N 1 0 389.463 2.577 20 0 GFADRO CN(CC[NH+]1CCCC1)C(=O)c1cccc(Nc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000736798864 599567026 /nfs/dbraw/zinc/56/70/26/599567026.db2.gz JWZGODXAZLCSCR-UHFFFAOYSA-N 1 0 391.479 2.778 20 0 GFADRO C[N@H+](Cc1nnc(-c2ccc(-c3nn[nH]n3)cc2)o1)[C@@H]1CCc2ccccc2C1 ZINC000821617891 599577453 /nfs/dbraw/zinc/57/74/53/599577453.db2.gz HBWNJBFSIWYGRL-GOSISDBHSA-N 1 0 387.447 2.906 20 0 GFADRO c1cn(CN2CCC[N@@H+](C3CCCC3)CC2)nc1-c1ccc(-c2nn[nH]n2)cc1 ZINC000738406143 599582373 /nfs/dbraw/zinc/58/23/73/599582373.db2.gz SAKSDBIVDAEIMF-UHFFFAOYSA-N 1 0 392.511 2.638 20 0 GFADRO CSC[C@](C)(O)C[NH2+]Cc1cccc(OCc2cccc(-c3nn[nH]n3)c2)c1 ZINC000737179837 599599698 /nfs/dbraw/zinc/59/96/98/599599698.db2.gz NBWUOBVXBHSLHJ-HXUWFJFHSA-N 1 0 399.520 2.649 20 0 GFADRO O=C(CC[N@@H+]1CCSC[C@@H]1c1ccccc1)Nc1cccc(-c2nn[nH]n2)c1 ZINC000822969260 599638753 /nfs/dbraw/zinc/63/87/53/599638753.db2.gz KRYUFLSXVHVAIZ-GOSISDBHSA-N 1 0 394.504 2.985 20 0 GFADRO CC[NH+](CC)CCN(CC(C)C)C(=O)N[C@@H](C)c1cccc(-c2nn[nH]n2)c1 ZINC000821189259 599680364 /nfs/dbraw/zinc/68/03/64/599680364.db2.gz JTFZSKXAMUKPNO-INIZCTEOSA-N 1 0 387.532 2.937 20 0 GFADRO COc1ccc([C@@H]2CCC[N@@H+]2Cc2cnc3ccc(-c4nn[nH]n4)cn23)cc1 ZINC000821787097 607388006 /nfs/dbraw/zinc/38/80/06/607388006.db2.gz OALAEZXFZPUIMU-SFHVURJKSA-N 1 0 375.436 2.860 20 0 GFADRO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)NC1(c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000825285012 607454956 /nfs/dbraw/zinc/45/49/56/607454956.db2.gz GHGNWACSTYGICV-SFHVURJKSA-N 1 0 397.527 2.810 20 0 GFADRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)NC2(c3cccc(-c4nn[nH]n4)c3)CC2)C1 ZINC000824261196 607459905 /nfs/dbraw/zinc/45/99/05/607459905.db2.gz DVMQNFPBEJJCKW-MRXNPFEDSA-N 1 0 397.527 2.523 20 0 GFADRO COC(=O)[C@H](C)[C@@H]([NH2+]Cc1cc(-c2nn[nH]n2)ccc1OC)c1ccccc1 ZINC000826099087 607469748 /nfs/dbraw/zinc/46/97/48/607469748.db2.gz XZHIHILGJWEOJB-FZKQIMNGSA-N 1 0 381.436 2.515 20 0 GFADRO COc1ccc(CN2CC[NH+](Cc3cccc(C)c3)CC2)cc1-c1nn[nH]n1 ZINC000826195281 607477104 /nfs/dbraw/zinc/47/71/04/607477104.db2.gz NQGVXRJRVKCFBS-UHFFFAOYSA-N 1 0 378.480 2.502 20 0 GFADRO CS[C@@H]1CCCC[N@H+](CC(=O)Nc2cc(Cl)ccc2-c2nn[nH]n2)C1 ZINC000826227074 607475253 /nfs/dbraw/zinc/47/52/53/607475253.db2.gz LFJXLIOWOXTBIZ-GFCCVEGCSA-N 1 0 380.905 2.676 20 0 GFADRO COc1ccc(CN2CC[C@@H]([N@H+](C)Cc3ccccc3)C2)cc1-c1nn[nH]n1 ZINC000826194739 607511616 /nfs/dbraw/zinc/51/16/16/607511616.db2.gz UZIOLWHPRNCQCU-GOSISDBHSA-N 1 0 378.480 2.582 20 0 GFADRO COc1ccc(-c2nn[nH]n2)cc1C[NH+]1CCC(C(=O)c2ccccc2)CC1 ZINC000826182831 607511845 /nfs/dbraw/zinc/51/18/45/607511845.db2.gz VMQMGTHFMPFHDM-UHFFFAOYSA-N 1 0 377.448 2.970 20 0 GFADRO COc1ccc(C[N@@H+]2CCC[C@H](CC(=O)OC(C)(C)C)C2)cc1-c1nn[nH]n1 ZINC000826194095 607514806 /nfs/dbraw/zinc/51/48/06/607514806.db2.gz AIYFXOGWXIRTLF-CQSZACIVSA-N 1 0 387.484 2.819 20 0 GFADRO COc1ccc(-c2nn[nH]n2)cc1C[N@@H+]1CC[C@H](COCc2ccccc2)C1 ZINC000826182230 607635715 /nfs/dbraw/zinc/63/57/15/607635715.db2.gz DZEGZYSDBZBWON-KRWDZBQOSA-N 1 0 379.464 2.914 20 0 GFADRO C[C@H]([NH2+]CC(=O)NCc1cccc(-c2nn[nH]n2)c1)c1ccc2c(c1)CCCC2 ZINC000824562620 607636721 /nfs/dbraw/zinc/63/67/21/607636721.db2.gz HSGMWKSWKKZSGA-HNNXBMFYSA-N 1 0 390.491 2.713 20 0 GFADRO COc1ccc(-c2nn[nH]n2)cc1C[N@H+](C)[C@@H]1CCCN(c2ccccc2)C1 ZINC000826181764 607637031 /nfs/dbraw/zinc/63/70/31/607637031.db2.gz MYUXXTMOUQZQIN-LJQANCHMSA-N 1 0 378.480 2.976 20 0 GFADRO C[C@@H]([NH2+]CC1CCN(C(=O)[O-])CC1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000825491253 604106491 /nfs/dbraw/zinc/10/64/91/604106491.db2.gz YOZNXGSZDBBSMF-OAHLLOKOSA-N 1 0 378.492 2.618 20 0 GFADRO CC[NH+](CC)[C@@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)c1ccccc1Cl ZINC000825406606 607690377 /nfs/dbraw/zinc/69/03/77/607690377.db2.gz QRDAMLAWEFFEPO-INIZCTEOSA-N 1 0 387.875 2.661 20 0 GFADRO COc1ccc(C[NH+]2CCC(C[NH2+]CC3CCN(C(=O)[O-])CC3)CC2)cc1 ZINC000829363590 604505674 /nfs/dbraw/zinc/50/56/74/604505674.db2.gz WQFLRFLSMGGGNB-UHFFFAOYSA-N 1 0 375.513 2.887 20 0 GFADRO Cc1cc(-c2nn[nH]n2)ccc1C(=O)N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000826243627 607699977 /nfs/dbraw/zinc/69/99/77/607699977.db2.gz OZPSWBFAUMFSGN-LJQANCHMSA-N 1 0 390.491 2.912 20 0 GFADRO O=C(NCc1cccc(C[NH+]2CCCCCC2)c1)c1ccc(-c2nn[nH]n2)[nH]1 ZINC000826442871 607714098 /nfs/dbraw/zinc/71/40/98/607714098.db2.gz NOOUXCARKABTQB-UHFFFAOYSA-N 1 0 379.468 2.501 20 0 GFADRO CC(C)(C)OC(=O)N1CCC[C@@H](C[NH2+]C2CC[NH+](CCCC(=O)[O-])CC2)C1 ZINC000833436655 605221462 /nfs/dbraw/zinc/22/14/62/605221462.db2.gz KGEVYDOBLOIIBS-INIZCTEOSA-N 1 0 383.533 2.552 20 0 GFADRO CN(C(=O)c1sccc1-c1nn[nH]n1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000821574789 606033409 /nfs/dbraw/zinc/03/34/09/606033409.db2.gz XGBQTWJQELAXSR-OAHLLOKOSA-N 1 0 382.493 2.665 20 0 GFADRO C[C@H]1CC(C)(C)C[C@](CO)([NH2+]Cc2nnc(-c3cccc(-c4nn[nH]n4)c3)o2)C1 ZINC000820650244 606069131 /nfs/dbraw/zinc/06/91/31/606069131.db2.gz SNKIGVYENHDKFX-RNODOKPDSA-N 1 0 397.483 2.584 20 0 GFADRO FC(F)(F)c1ccc(C[N@@H+]2CC[C@@H](Nc3ccc(-c4nn[nH]n4)nc3)C2)cc1 ZINC000822723815 606088732 /nfs/dbraw/zinc/08/87/32/606088732.db2.gz PKEWMFRHSGUNCD-OAHLLOKOSA-N 1 0 389.385 2.967 20 0 GFADRO Cc1oc(NC(=O)C[N@H+]2CC[C@@H](Cc3ccccc3)[C@H]2C)c(-c2nn[nH]n2)c1C ZINC000822548746 606114542 /nfs/dbraw/zinc/11/45/42/606114542.db2.gz NDEACCJZQJJATA-PBHICJAKSA-N 1 0 394.479 2.968 20 0 GFADRO O=C(CC[N@H+]1C[C@@H]2CCCC[C@@H]2C1)Nc1sc2c(c1-c1nn[nH]n1)CCC2 ZINC000822964852 606116595 /nfs/dbraw/zinc/11/65/95/606116595.db2.gz RABZEFQMYKEHTO-BETUJISGSA-N 1 0 386.525 2.868 20 0 GFADRO Fc1ccc(C[NH+]2CCC(OC[C@@H]3CCCCO3)CC2)c(-c2nn[nH]n2)c1 ZINC000822767099 606117616 /nfs/dbraw/zinc/11/76/16/606117616.db2.gz WQMMIWVRWNTWJD-KRWDZBQOSA-N 1 0 375.448 2.556 20 0 GFADRO C[NH+](C)C[C@@H]1CCCN1C(=O)c1cccc(Oc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000821583420 606127962 /nfs/dbraw/zinc/12/79/62/606127962.db2.gz UWUHKKNWGNJGAK-KRWDZBQOSA-N 1 0 392.463 2.825 20 0 GFADRO C[NH+](C)CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)c1cccc2[nH]ccc21 ZINC000821586092 606150867 /nfs/dbraw/zinc/15/08/67/606150867.db2.gz JLPBPWSODSHORJ-UHFFFAOYSA-N 1 0 389.463 2.552 20 0 GFADRO CC(C)C[N@H+](CCS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)C1CCCC1 ZINC000820086770 606187405 /nfs/dbraw/zinc/18/74/05/606187405.db2.gz FINBOOUIANEDLW-UHFFFAOYSA-N 1 0 377.514 2.541 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)c2sccc2-c2nn[nH]n2)CC[N@@H+]1Cc1ccccc1 ZINC000820659111 606189100 /nfs/dbraw/zinc/18/91/00/606189100.db2.gz WKMLBRLOMHYCON-HIFRSBDPSA-N 1 0 382.493 2.711 20 0 GFADRO CCc1ccc([C@H](C)[NH2+][C@H]2CCN(c3sccc3-c3nn[nH]n3)C2=O)cc1 ZINC000821482901 606296737 /nfs/dbraw/zinc/29/67/37/606296737.db2.gz WDPIGKKQRSWGMO-LRDDRELGSA-N 1 0 382.493 2.947 20 0 GFADRO C[N@H+](CCCCc1ccccc1)[C@@H]1CCN(c2sccc2-c2nn[nH]n2)C1=O ZINC000821599104 606315772 /nfs/dbraw/zinc/31/57/72/606315772.db2.gz FWODESPNIOMNAP-QGZVFWFLSA-N 1 0 396.520 2.988 20 0 GFADRO CC(C)(C)CC[NH+]1CCN(C(=O)Nc2ccc(F)cc2-c2nn[nH]n2)CC1 ZINC000819913861 606355207 /nfs/dbraw/zinc/35/52/07/606355207.db2.gz FWDXFGHXTPKYFU-UHFFFAOYSA-N 1 0 375.452 2.592 20 0 GFADRO COc1cccc([C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)N2CCCC2)c1 ZINC000821859102 606406350 /nfs/dbraw/zinc/40/63/50/606406350.db2.gz LCNNHHWMCAGWRS-QGZVFWFLSA-N 1 0 384.509 2.864 20 0 GFADRO Fc1ccc(CN2CCC([NH2+]Cc3ccc(-c4nn[nH]n4)s3)CC2)cc1F ZINC000822766986 606411391 /nfs/dbraw/zinc/41/13/91/606411391.db2.gz RTCJSMDQQNGQSE-UHFFFAOYSA-N 1 0 390.463 2.961 20 0 GFADRO COc1ccc(Cl)cc1N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC000821827873 606417162 /nfs/dbraw/zinc/41/71/62/606417162.db2.gz LKBHQVUCMFWQMW-GFCCVEGCSA-N 1 0 390.900 2.959 20 0 GFADRO CO[C@]1(C)C[C@H]([N@H+](C)Cn2c(C)nnc2-c2cccc(-c3nn[nH]n3)c2)C1(C)C ZINC000821679130 606418349 /nfs/dbraw/zinc/41/83/49/606418349.db2.gz XMXTVNDKJAVZNI-OXJNMPFZSA-N 1 0 396.499 2.527 20 0 GFADRO CCc1noc(-c2ccc(CC[NH2+]Cc3ccc(-c4nn[nH]n4)s3)cc2)n1 ZINC000821553820 606418696 /nfs/dbraw/zinc/41/86/96/606418696.db2.gz KMGCFGQQRIUIPV-UHFFFAOYSA-N 1 0 381.465 2.873 20 0 GFADRO COc1cccc([C@H](C)[NH2+]C2CCN(c3ccc(-c4nn[nH]n4)cn3)CC2)c1 ZINC000821860167 606428031 /nfs/dbraw/zinc/42/80/31/606428031.db2.gz YJDUMMBUWSFPKL-AWEZNQCLSA-N 1 0 379.468 2.590 20 0 GFADRO CC[NH+]1CCN(Cc2ccc(CNc3ccc(F)cc3-c3nn[nH]n3)cc2)CC1 ZINC000821275555 606455056 /nfs/dbraw/zinc/45/50/56/606455056.db2.gz AWENPUOUURGTJL-UHFFFAOYSA-N 1 0 395.486 2.755 20 0 GFADRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1-c1nn[nH]n1)[C@H]1Oc2ccccc2[C@H]1C ZINC000820402715 606471787 /nfs/dbraw/zinc/47/17/87/606471787.db2.gz FKOXNVLNRYEKEG-PXWIGAEESA-N 1 0 392.463 2.737 20 0 GFADRO C[N@H+](CCOc1ccccc1)Cc1ccc(-c2nn[nH]n2)cc1OC(F)F ZINC000821605054 606480038 /nfs/dbraw/zinc/48/00/38/606480038.db2.gz SDGMGTILTWJFBZ-UHFFFAOYSA-N 1 0 375.379 2.979 20 0 GFADRO FC(F)Oc1cc(-c2nn[nH]n2)ccc1CN1CCC[C@H]1C[NH+]1CCCCC1 ZINC000822732546 606489510 /nfs/dbraw/zinc/48/95/10/606489510.db2.gz JOCLANOXCRUTEN-INIZCTEOSA-N 1 0 392.454 2.918 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)Cc2ccc(-c3nn[nH]n3)cc2OC(F)F)[C@@H](C)C1 ZINC000821255131 606500023 /nfs/dbraw/zinc/50/00/23/606500023.db2.gz VIUYVICJQGMVRI-SWLSCSKDSA-N 1 0 380.443 2.630 20 0 GFADRO Cc1nccn1C[C@H]1CCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1OC(F)F ZINC000822476933 606521460 /nfs/dbraw/zinc/52/14/60/606521460.db2.gz AJUJQCZUPOAUGO-OAHLLOKOSA-N 1 0 389.410 2.638 20 0 GFADRO CC[C@H]1C[N@@H+]2CCCC[C@@H]2CN1Cc1ccc(-c2nn[nH]n2)cc1OC(F)F ZINC000821002479 606524312 /nfs/dbraw/zinc/52/43/12/606524312.db2.gz XDZJDHHTKAVUBK-JKSUJKDBSA-N 1 0 392.454 2.917 20 0 GFADRO C[N@@H+]1CCC[C@H](CNC(=O)c2ccc(-c3nn[nH]n3)s2)[C@H]1c1cccs1 ZINC000821623379 606572817 /nfs/dbraw/zinc/57/28/17/606572817.db2.gz KEDGSVQJSDLMCX-ABAIWWIYSA-N 1 0 388.522 2.803 20 0 GFADRO CCCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000821104635 606603576 /nfs/dbraw/zinc/60/35/76/606603576.db2.gz LDZMMLYGEQHTPN-ROUUACIJSA-N 1 0 385.516 2.661 20 0 GFADRO CCOc1ccc(-c2nn[nH]n2)cc1NC(=O)N(C)[C@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000821407286 606641855 /nfs/dbraw/zinc/64/18/55/606641855.db2.gz QSEZGXOKOQAFLF-ZFWWWQNUSA-N 1 0 387.488 2.602 20 0 GFADRO C[C@@H]1CCC[C@H](C)[C@H]1NC(=O)N(CC[NH+](C)C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000820690509 606658916 /nfs/dbraw/zinc/65/89/16/606658916.db2.gz NBYXMJIZURBAOR-MNZLEMJZSA-N 1 0 399.543 2.765 20 0 GFADRO CC[C@H]1CC[N@H+](CC(=O)Nc2c(-c3nn[nH]n3)c(C)c(C)n2Cc2ccco2)C1 ZINC000820988982 606714393 /nfs/dbraw/zinc/71/43/93/606714393.db2.gz JQYWBVUHCJUYKU-HNNXBMFYSA-N 1 0 397.483 2.597 20 0 GFADRO CC[C@H]([NH2+]Cc1ccc(-c2nn[nH]n2)s1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000820926411 606742510 /nfs/dbraw/zinc/74/25/10/606742510.db2.gz SVVRXYUNGRILDC-ZWKOTPCHSA-N 1 0 398.536 2.697 20 0 GFADRO CC(C)(C)OC(=O)C[C@@H]1CCC[N@H+](CCOc2ccccc2-c2nn[nH]n2)C1 ZINC000819927902 606753064 /nfs/dbraw/zinc/75/30/64/606753064.db2.gz ADNYITVUVDUSJX-HNNXBMFYSA-N 1 0 387.484 2.689 20 0 GFADRO CC(C)(C)OC(=O)C[C@H]1CCC[N@H+](Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC000819927997 606753147 /nfs/dbraw/zinc/75/31/47/606753147.db2.gz FRTQNVPTUDXIIJ-CYBMUJFWSA-N 1 0 375.448 2.950 20 0 GFADRO CN(C(=O)Nc1cccc(-c2nn[nH]n2)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000821572011 606782414 /nfs/dbraw/zinc/78/24/14/606782414.db2.gz OIYKULWQLDPKLN-GOSISDBHSA-N 1 0 377.452 2.605 20 0 GFADRO Cc1cc(-c2nn[nH]n2)ccc1Oc1ccc(C(=O)N(C)CC[NH+](C)C)cc1 ZINC000822136945 606796591 /nfs/dbraw/zinc/79/65/91/606796591.db2.gz QJRUFIHBKOVVFW-UHFFFAOYSA-N 1 0 380.452 2.601 20 0 GFADRO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2ccccc2-c2ccccc2-c2nn[nH]n2)C1 ZINC000820753183 606818207 /nfs/dbraw/zinc/81/82/07/606818207.db2.gz XHAJQHIKUXXLFR-QRWLVFNGSA-N 1 0 390.491 2.992 20 0 GFADRO CC(C)Oc1ccc(-c2nn[nH]n2)cc1NC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000820151704 606833052 /nfs/dbraw/zinc/83/30/52/606833052.db2.gz NCKJFVOWWXFMBV-CJNGLKHVSA-N 1 0 387.488 2.504 20 0 GFADRO O[C@@H](C[NH+]1CCC(Cc2cccc(F)c2)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823673131 606854685 /nfs/dbraw/zinc/85/46/85/606854685.db2.gz IULLDPIWVJQFBS-FQEVSTJZSA-N 1 0 381.455 2.994 20 0 GFADRO O[C@H](C[NH2+]Cc1ccc(F)cc1C(F)(F)F)c1ccc(-c2nn[nH]n2)cc1 ZINC000823690778 606855126 /nfs/dbraw/zinc/85/51/26/606855126.db2.gz UERXVILKLOSPPZ-OAHLLOKOSA-N 1 0 381.333 2.848 20 0 GFADRO C[C@H]1C[C@@H](NC(=O)Nc2cccc(-c3nn[nH]n3)c2)C[N@@H+]1Cc1ccccc1 ZINC000820657896 606870844 /nfs/dbraw/zinc/87/08/44/606870844.db2.gz NCUCMOYICNECIC-KBXCAEBGSA-N 1 0 377.452 2.651 20 0 GFADRO COc1ccccc1C[C@@H]1CCC[N@@H+]1C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821890031 606890034 /nfs/dbraw/zinc/89/00/34/606890034.db2.gz JDJOQXDWXJHYHJ-RBUKOAKNSA-N 1 0 379.464 2.616 20 0 GFADRO CCO[C@@H]1C[C@H]([N@H+](C)C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)C12CCCCC2 ZINC000821358224 606903012 /nfs/dbraw/zinc/90/30/12/606903012.db2.gz ILGKRNCURXPMQC-CEXWTWQISA-N 1 0 385.512 2.960 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)C=Cc2ccccc2-c2nn[nH]n2)C[N@@H+]1Cc1ccccc1 ZINC000820658891 606904066 /nfs/dbraw/zinc/90/40/66/606904066.db2.gz VDTJKUSDLHKRHD-URWYZWATSA-N 1 0 388.475 2.659 20 0 GFADRO O[C@H](C[C@@H]1CCCCC[N@@H+]1C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1)c1ccco1 ZINC000823681779 606912414 /nfs/dbraw/zinc/91/24/14/606912414.db2.gz KOJQPIGUWHLDSX-IPMKNSEASA-N 1 0 397.479 2.861 20 0 GFADRO O[C@@H](C[N@H+]1CC=C(c2c[nH]c3ncccc23)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823675601 606919641 /nfs/dbraw/zinc/91/96/41/606919641.db2.gz YGIVSKGYINUTGQ-IBGZPJMESA-N 1 0 387.447 2.566 20 0 GFADRO C[N@H+](Cc1ccc(F)c(-c2nn[nH]n2)c1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000821611288 606972217 /nfs/dbraw/zinc/97/22/17/606972217.db2.gz ZHOJWLVXQFIGPV-UHFFFAOYSA-N 1 0 394.454 2.742 20 0 GFADRO COc1cc2c(cc1OC)CC[NH+](Cc1ccc(F)c(-c3nn[nH]n3)c1)CC2 ZINC000821727985 606972670 /nfs/dbraw/zinc/97/26/70/606972670.db2.gz QIKBJVVCYSYJSL-UHFFFAOYSA-N 1 0 383.427 2.624 20 0 GFADRO C[C@H]1C[N@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000820759161 606973323 /nfs/dbraw/zinc/97/33/23/606973323.db2.gz IAAHFPMEZDVWAG-BLLLJJGKSA-N 1 0 390.463 2.741 20 0 GFADRO Cc1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccc(F)c(-c4nn[nH]n4)c3)C2)nc1 ZINC000822242469 606975072 /nfs/dbraw/zinc/97/50/72/606975072.db2.gz MAQLLXVDNCLXCZ-OAHLLOKOSA-N 1 0 395.442 2.560 20 0 GFADRO C[C@@H](CC[NH2+]Cc1cccc(OCc2ccccc2-c2nn[nH]n2)c1)[S@@](C)=O ZINC000820243210 607009144 /nfs/dbraw/zinc/00/91/44/607009144.db2.gz YDWCIHDVISFAKO-OHZJNBGDSA-N 1 0 399.520 2.692 20 0 GFADRO C[C@H]([NH2+][C@@H](C)c1ccc(S(C)(=O)=O)c(F)c1)c1ccc(-c2nn[nH]n2)cc1 ZINC000820413421 607013915 /nfs/dbraw/zinc/01/39/15/607013915.db2.gz PSVLUWYGHUXUPB-RYUDHWBXSA-N 1 0 389.456 2.821 20 0 GFADRO C[C@@H]([NH2+][C@@H](C)c1ccc(NS(C)(=O)=O)cc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000820412918 607013937 /nfs/dbraw/zinc/01/39/37/607013937.db2.gz NEEVZILHOMUSIW-OLZOCXBDSA-N 1 0 386.481 2.650 20 0 GFADRO C[C@@H]1CC[C@H](CC(=O)N2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC000820683766 607023127 /nfs/dbraw/zinc/02/31/27/607023127.db2.gz HCFBGXXWHKHUBR-AEFFLSMTSA-N 1 0 382.512 2.727 20 0 GFADRO C[C@H]([NH2+]C1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1)c1cc(F)cc(F)c1 ZINC000820410481 607045986 /nfs/dbraw/zinc/04/59/86/607045986.db2.gz FIZRSVVUGCNBFD-LBPRGKRZSA-N 1 0 385.422 2.860 20 0 GFADRO C[C@H]([NH2+]C1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1)c1ccc(F)cc1F ZINC000820410754 607046012 /nfs/dbraw/zinc/04/60/12/607046012.db2.gz GMKCMPBTZDJSSS-LBPRGKRZSA-N 1 0 385.422 2.860 20 0 GFADRO C[C@@H](CCc1ccc(F)cc1)[NH2+]C1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1 ZINC000820252729 607047902 /nfs/dbraw/zinc/04/79/02/607047902.db2.gz CLIJQVXZDMUSNQ-HNNXBMFYSA-N 1 0 395.486 2.981 20 0 GFADRO O=C(NC[C@H]1CCCC[N@H+]1Cc1cc(F)ccc1-c1nn[nH]n1)c1ccccc1 ZINC000823175667 607071281 /nfs/dbraw/zinc/07/12/81/607071281.db2.gz LXFLRAQRMBETHV-GOSISDBHSA-N 1 0 394.454 2.790 20 0 GFADRO O[C@]12CCCC[C@@H]1C[N@H+](Cc1ccc(-c3nn[nH]n3)cc1OC(F)F)CC2 ZINC000823699604 607075565 /nfs/dbraw/zinc/07/55/65/607075565.db2.gz WGBYAXDRYWWMSN-KDOFPFPSSA-N 1 0 379.411 2.595 20 0 GFADRO C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+][C@H](C)c1cccc(-c2nn[nH]n2)c1 ZINC000820227095 607084138 /nfs/dbraw/zinc/08/41/38/607084138.db2.gz YFYXKGKQEQRREG-VXGBXAGGSA-N 1 0 385.859 2.983 20 0 GFADRO O=C(OCc1cc(F)ccc1-c1nn[nH]n1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000823414510 607084970 /nfs/dbraw/zinc/08/49/70/607084970.db2.gz XYUPVDJQXRLVFE-MRXNPFEDSA-N 1 0 395.438 2.961 20 0 GFADRO COc1ccc(NC(=O)C[C@H](C)[NH2+][C@H](C)c2cccc(-c3nn[nH]n3)c2)cc1 ZINC000821831784 607088663 /nfs/dbraw/zinc/08/86/63/607088663.db2.gz MKJDOSXKXKTUAM-UONOGXRCSA-N 1 0 380.452 2.943 20 0 GFADRO C[C@H](CC(=O)NCCc1ccccc1)[NH2+][C@H](C)c1cccc(-c2nn[nH]n2)c1 ZINC000820225100 607089390 /nfs/dbraw/zinc/08/93/90/607089390.db2.gz AQQABGBIBJGSKB-HZPDHXFCSA-N 1 0 378.480 2.655 20 0 GFADRO O=C(CC[NH+]1CCC(C(F)F)CC1)Nc1sc2c(c1-c1nn[nH]n1)CCC2 ZINC000822964594 607108899 /nfs/dbraw/zinc/10/88/99/607108899.db2.gz LEFNPJJPXMKVJL-UHFFFAOYSA-N 1 0 396.467 2.723 20 0 GFADRO FC(F)(F)c1ccc(N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)c(-c2nn[nH]n2)c1 ZINC000822724081 607174721 /nfs/dbraw/zinc/17/47/21/607174721.db2.gz YLSNLCBJUGZSLL-HOTGVXAUSA-N 1 0 396.417 2.941 20 0 GFADRO O=C(CC[N@@H+]1CCC[C@H](Nc2ccccc2)C1)Nc1sccc1-c1nn[nH]n1 ZINC000822964904 607178085 /nfs/dbraw/zinc/17/80/85/607178085.db2.gz SNWBIJLXFGTWRL-HNNXBMFYSA-N 1 0 397.508 2.833 20 0 GFADRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)Nc2ccc(-c3nn[nH]n3)cc2Cl)C1 ZINC000820092843 607201453 /nfs/dbraw/zinc/20/14/53/607201453.db2.gz QIEAHIPJAMLULZ-GFCCVEGCSA-N 1 0 377.880 2.620 20 0 GFADRO C[C@@H](CNC(=O)Nc1ccc(-c2nn[nH]n2)cc1Cl)[N@@H+]1CCC[C@@H](C)C1 ZINC000820709037 607201603 /nfs/dbraw/zinc/20/16/03/607201603.db2.gz CFDZBPNINNGSRP-NEPJUHHUSA-N 1 0 377.880 2.762 20 0 GFADRO c1cn(C[NH+]2CCC(C3CCOCC3)CC2)nc1-c1ccc(-c2nn[nH]n2)cc1 ZINC000826513593 607785153 /nfs/dbraw/zinc/78/51/53/607785153.db2.gz PUKAKLVAZMJVQE-UHFFFAOYSA-N 1 0 393.495 2.826 20 0 GFADRO C[C@H]1C[C@@H](CCNC(=O)c2ccc(-c3nn[nH]n3)cc2)C[N@@H+]1Cc1ccccc1 ZINC000824876166 607795508 /nfs/dbraw/zinc/79/55/08/607795508.db2.gz QVBMWBOOUWKCNH-FUHWJXTLSA-N 1 0 390.491 2.897 20 0 GFADRO Cc1nnc(NCC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)c(-c2nn[nH]n2)c1C ZINC000826336056 607810301 /nfs/dbraw/zinc/81/03/01/607810301.db2.gz LMRHUFJZDMHSSO-KBXCAEBGSA-N 1 0 392.511 2.986 20 0 GFADRO CC(C)(CC[NH2+]CCS(=O)(=O)c1cccc(-c2nn[nH]n2)c1)c1ccccc1 ZINC000824152567 607815165 /nfs/dbraw/zinc/81/51/65/607815165.db2.gz HTVTXUBPCOOTSA-UHFFFAOYSA-N 1 0 399.520 2.598 20 0 GFADRO CCCC1CCC([NH2+]CCS(=O)(=O)c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000825254457 607815404 /nfs/dbraw/zinc/81/54/04/607815404.db2.gz RRYGJSVDELFKSG-UHFFFAOYSA-N 1 0 377.514 2.589 20 0 GFADRO Fc1cc(C[NH2+]CCOc2ccc(-c3nn[nH]n3)cc2)ccc1OC(F)F ZINC000826372361 607853976 /nfs/dbraw/zinc/85/39/76/607853976.db2.gz SRVXBPZYPLEVGM-UHFFFAOYSA-N 1 0 379.342 2.776 20 0 GFADRO OC[C@@H](C1CC1)[N@H+](CCCOc1cccc(-c2nn[nH]n2)c1)Cc1ccccc1 ZINC000826507220 607858774 /nfs/dbraw/zinc/85/87/74/607858774.db2.gz KQUWHPRCVBUWKA-NRFANRHFSA-N 1 0 393.491 2.909 20 0 GFADRO CCS[C@@H]1CCCC[N@H+](Cc2cccc(C(=O)OC)c2-c2nn[nH]n2)C1 ZINC000825669492 607922677 /nfs/dbraw/zinc/92/26/77/607922677.db2.gz YZPWUKCCNIVATP-CQSZACIVSA-N 1 0 375.498 2.761 20 0 GFADRO CC[C@@](C)([NH2+]Cc1cccc(C(=O)OC)c1-c1nn[nH]n1)c1nc(C)cs1 ZINC000825043950 607925270 /nfs/dbraw/zinc/92/52/70/607925270.db2.gz LAEQXCMEMJRTIG-GOSISDBHSA-N 1 0 386.481 2.833 20 0 GFADRO CC(=O)c1ccc2c(c1)CC[N@@H+](CCCOc1cccc(-c3nn[nH]n3)c1)CC2 ZINC000824029683 607925864 /nfs/dbraw/zinc/92/58/64/607925864.db2.gz PIQVBHUUTONVSO-UHFFFAOYSA-N 1 0 391.475 2.939 20 0 GFADRO CC(C)Oc1cccc(C[N@H+](C)C[C@H](O)COc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000824333754 607926018 /nfs/dbraw/zinc/92/60/18/607926018.db2.gz LODCKKDHBDNXSG-SFHVURJKSA-N 1 0 397.479 2.526 20 0 GFADRO OCCOC1CC[NH+](Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)CC1 ZINC000826510517 607942746 /nfs/dbraw/zinc/94/27/46/607942746.db2.gz VVXCMLHDBWUNEX-UHFFFAOYSA-N 1 0 379.464 2.507 20 0 GFADRO C[N@@H+]1CC[C@@H](NC(=S)Nc2ccccc2-c2nn[nH]n2)[C@@H]1c1ccccc1 ZINC000826029796 607968307 /nfs/dbraw/zinc/96/83/07/607968307.db2.gz WUYXBAWVGJQFSB-SJORKVTESA-N 1 0 379.493 2.599 20 0 GFADRO C[C@H](c1ccc2ccccc2c1)[N@H+](C)CCCc1[nH]nc(N)c1-c1nn[nH]n1 ZINC000824763220 608035021 /nfs/dbraw/zinc/03/50/21/608035021.db2.gz LLOVGIGNVIUACB-CYBMUJFWSA-N 1 0 376.468 2.951 20 0 GFADRO Brc1cc(-c2nn[nH]n2)ccc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000823826546 608049913 /nfs/dbraw/zinc/04/99/13/608049913.db2.gz LCMARGMFQJKRPQ-CYBMUJFWSA-N 1 0 377.290 2.694 20 0 GFADRO COc1ccc([C@](C)(O)[C@H]2CCC[N@@H+]2Cc2cc(-c3nn[nH]n3)ccc2F)cc1 ZINC000826188081 608064444 /nfs/dbraw/zinc/06/44/44/608064444.db2.gz NCYXOIGIXXKIKU-CTNGQTDRSA-N 1 0 397.454 2.887 20 0 GFADRO CN1CC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)[C@@H]1c1ccc(F)c(F)c1 ZINC000826029981 608113811 /nfs/dbraw/zinc/11/38/11/608113811.db2.gz ZBLGKLIDOQHAPI-MSOLQXFVSA-N 1 0 388.397 2.819 20 0 GFADRO Cc1ccc([C@H]2CC[N@@H+]([C@@H](C)C(=O)Nc3cccc(-c4nn[nH]n4)c3)C2)cc1 ZINC000826285941 608126586 /nfs/dbraw/zinc/12/65/86/608126586.db2.gz OJNGLUGHBNUUCQ-YJBOKZPZSA-N 1 0 376.464 2.992 20 0 GFADRO O=C(N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)c1cc(-c2nn[nH]n2)cs1 ZINC000826429733 608135088 /nfs/dbraw/zinc/13/50/88/608135088.db2.gz LRQBURRALFQHBB-BHYGNILZSA-N 1 0 394.504 2.569 20 0 GFADRO CC[NH+]1CCN(c2ccc(Nc3snc(Cl)c3-c3nn[nH]n3)cc2)CC1 ZINC000825464861 608170245 /nfs/dbraw/zinc/17/02/45/608170245.db2.gz DXJFWQZFVZTPSV-UHFFFAOYSA-N 1 0 390.904 2.862 20 0 GFADRO C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)c1ccccc1-c1ccccc1-c1nn[nH]n1 ZINC000824860301 608202524 /nfs/dbraw/zinc/20/25/24/608202524.db2.gz TWJDLNWBOWIOPV-GJZGRUSLSA-N 1 0 376.464 2.698 20 0 GFADRO COc1ccc(C[NH2+][C@@H](C)c2cccc(N3CCOCC3)c2)cc1-c1nn[nH]n1 ZINC000826202092 608286999 /nfs/dbraw/zinc/28/69/99/608286999.db2.gz NWCZOTUDWAWBCT-HNNXBMFYSA-N 1 0 394.479 2.563 20 0 GFADRO O=C1C[C@H]([NH2+]Cc2cc(-c3nn[nH]n3)cs2)CN1c1ccc(Cl)c(F)c1 ZINC000826479086 608310352 /nfs/dbraw/zinc/31/03/52/608310352.db2.gz QCHMCNCVDXDVGK-JTQLQIEISA-N 1 0 392.847 2.616 20 0 GFADRO CC[N@H+](CCc1nccs1)Cc1c(-c2nn[nH]n2)c(C)nn1-c1ccccc1 ZINC000825429197 608316921 /nfs/dbraw/zinc/31/69/21/608316921.db2.gz YFDWBYDAUXEFQN-UHFFFAOYSA-N 1 0 394.508 2.882 20 0 GFADRO CCCCCC(=O)NC1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2OC)CC1 ZINC000825268581 608355333 /nfs/dbraw/zinc/35/53/33/608355333.db2.gz VISXMQIZGDLPPU-UHFFFAOYSA-N 1 0 386.500 2.536 20 0 GFADRO COc1cc(-c2nn[nH]n2)ccc1C[N@@H+]1CCC[C@@H]1c1cccc2c1OCCO2 ZINC000826168859 608358368 /nfs/dbraw/zinc/35/83/68/608358368.db2.gz ASIGOLCDOHYBPI-QGZVFWFLSA-N 1 0 393.447 2.984 20 0 GFADRO COc1cc(-c2nn[nH]n2)ccc1CN(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000826167691 608366666 /nfs/dbraw/zinc/36/66/66/608366666.db2.gz NPJJFIDVHFGDDU-FQEVSTJZSA-N 1 0 392.507 2.972 20 0 GFADRO CC(C)(C)OC(=O)NC[C@H]1CCC[N@H+](Cc2cccc(-c3nn[nH]n3)c2F)C1 ZINC000824108700 608387714 /nfs/dbraw/zinc/38/77/14/608387714.db2.gz JJJNNAOGCSBGFF-CYBMUJFWSA-N 1 0 390.463 2.743 20 0 GFADRO CN(C[C@@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2F)C1)C(=O)OC(C)(C)C ZINC000825908422 608392557 /nfs/dbraw/zinc/39/25/57/608392557.db2.gz HLARBYJWAAJJES-ZDUSSCGKSA-N 1 0 390.463 2.695 20 0 GFADRO C[C@@H]([NH2+]CC(=O)NCc1ccc(-c2nn[nH]n2)cc1)c1ccc2ccccc2c1 ZINC000824564519 608422964 /nfs/dbraw/zinc/42/29/64/608422964.db2.gz VDLLWMXUDAOGOM-OAHLLOKOSA-N 1 0 386.459 2.987 20 0 GFADRO CC(C)C[C@@H]([NH2+]CC(=O)NCc1ccc(-c2nn[nH]n2)cc1)c1ccccc1 ZINC000824236428 608425555 /nfs/dbraw/zinc/42/55/55/608425555.db2.gz NRYRZHPOHWQOIL-LJQANCHMSA-N 1 0 378.480 2.860 20 0 GFADRO CC(=O)Nc1cccc([C@H](C)[NH2+]CCC(=O)Nc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000824005106 608433072 /nfs/dbraw/zinc/43/30/72/608433072.db2.gz KLZVNZLRRPLRST-ZDUSSCGKSA-N 1 0 393.451 2.505 20 0 GFADRO Cc1ccccc1OC[C@H](O)C[N@H+]1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826307697 608462475 /nfs/dbraw/zinc/46/24/75/608462475.db2.gz SUEDTHQNEWYION-HXUWFJFHSA-N 1 0 391.475 2.704 20 0 GFADRO C[C@@H]([NH2+]CC(=O)N(Cc1ccccc1)C1CC1)c1cccc(-c2nn[nH]n2)c1 ZINC000824553526 608480421 /nfs/dbraw/zinc/48/04/21/608480421.db2.gz CCSFKGVYWUILEE-OAHLLOKOSA-N 1 0 376.464 2.709 20 0 GFADRO C[C@H]([NH2+]C[C@H](O)COCc1ccc(Cl)cc1)c1cccc(-c2nn[nH]n2)c1 ZINC000824570564 608484563 /nfs/dbraw/zinc/48/45/63/608484563.db2.gz NEUTYKDMIQUVFJ-UGSOOPFHSA-N 1 0 387.871 2.748 20 0 GFADRO C[C@@H]([NH2+]CC(=O)Nc1ccccc1OC(F)F)c1cccc(-c2nn[nH]n2)c1 ZINC000824562054 608485708 /nfs/dbraw/zinc/48/57/08/608485708.db2.gz CEWLCYDRDNWRNR-LLVKDONJSA-N 1 0 388.378 2.757 20 0 GFADRO C[C@@H]([NH2+]CC(=O)N1c2ccccc2CC[C@H]1C)c1cccc(-c2nn[nH]n2)c1 ZINC000824553791 608489122 /nfs/dbraw/zinc/48/91/22/608489122.db2.gz IATSZRMNVKZUHJ-HUUCEWRRSA-N 1 0 376.464 2.885 20 0 GFADRO C[C@H]([NH2+]C[C@H](O)CO[C@H]1CCCc2ccccc21)c1cccc(-c2nn[nH]n2)c1 ZINC000824571711 608491820 /nfs/dbraw/zinc/49/18/20/608491820.db2.gz RGKGLYHDAOXUKM-ZRCAFCQKSA-N 1 0 393.491 2.972 20 0 GFADRO c1ccc(N2CCOCC2)c(C[NH2+][C@@H]2CCCc3cc(-c4nn[nH]n4)ccc32)c1 ZINC000826522064 608506520 /nfs/dbraw/zinc/50/65/20/608506520.db2.gz KWMGTPLLYFWVRM-HXUWFJFHSA-N 1 0 390.491 2.871 20 0 GFADRO OC[C@H](Cc1c[nH]c2ccccc12)[NH2+][C@H]1CCCc2cc(-c3nn[nH]n3)ccc21 ZINC000826507762 608513032 /nfs/dbraw/zinc/51/30/32/608513032.db2.gz WACPMHQOOUGPAZ-UWJYYQICSA-N 1 0 388.475 2.919 20 0 GFADRO Cc1ccc(N2CC[C@@H]([NH2+][C@H]3CCCc4cc(-c5nn[nH]n5)ccc43)C2=O)cc1 ZINC000826289739 608521300 /nfs/dbraw/zinc/52/13/00/608521300.db2.gz LDVIOFVKBLGXHN-VQTJNVASSA-N 1 0 388.475 2.948 20 0 GFADRO O=C(C[NH2+]C1(c2cccc(-c3nn[nH]n3)c2)CC1)NC12CC3CC(CC(C3)C1)C2 ZINC000826412695 608531696 /nfs/dbraw/zinc/53/16/96/608531696.db2.gz ZMNGQDOLIWDDND-UHFFFAOYSA-N 1 0 392.507 2.530 20 0 GFADRO c1ccc2c(c1)n[nH]c2C[NH2+]C1CCC(Oc2ccc(-c3nn[nH]n3)cn2)CC1 ZINC000826522886 608571019 /nfs/dbraw/zinc/57/10/19/608571019.db2.gz SDJJPLTVVNMFJC-UHFFFAOYSA-N 1 0 390.451 2.618 20 0 GFADRO CCCC[N@H+](CC(N)=O)Cc1cccc(OCc2ccccc2-c2nn[nH]n2)c1 ZINC000825282687 608598419 /nfs/dbraw/zinc/59/84/19/608598419.db2.gz WIFHFFSYBVXHIN-UHFFFAOYSA-N 1 0 394.479 2.533 20 0 GFADRO CC(C)(C)OC(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)s1 ZINC000824109083 608638499 /nfs/dbraw/zinc/63/84/99/608638499.db2.gz MUGGSVLBWSTLJB-GFCCVEGCSA-N 1 0 378.502 2.807 20 0 GFADRO O=C(CC1CCCC1)NC1CC[NH+](Cc2cccc(-c3nn[nH]n3)c2F)CC1 ZINC000826403994 608649651 /nfs/dbraw/zinc/64/96/51/608649651.db2.gz KTJBYEHPEMWGKF-UHFFFAOYSA-N 1 0 386.475 2.667 20 0 GFADRO Cc1ccc(NC(=O)C2CC[NH+](Cc3cccc(-c4nn[nH]n4)c3F)CC2)nc1 ZINC000826290117 608651711 /nfs/dbraw/zinc/65/17/11/608651711.db2.gz BDVWHULRNCSNPK-UHFFFAOYSA-N 1 0 395.442 2.560 20 0 GFADRO c1ccc2c(c1)ncc(-c1nn[nH]n1)c2N1CC[NH+](C[C@H]2CC=CCC2)CC1 ZINC000823867952 608652384 /nfs/dbraw/zinc/65/23/84/608652384.db2.gz KQUYZIZAAFPXHL-INIZCTEOSA-N 1 0 375.480 2.893 20 0 GFADRO O=C(NC[C@H]1CCCC[N@@H+]1Cc1cc(-c2nn[nH]n2)cs1)c1ccccc1 ZINC000826434429 608661892 /nfs/dbraw/zinc/66/18/92/608661892.db2.gz MIRXYEDJTRPUFM-MRXNPFEDSA-N 1 0 382.493 2.713 20 0 GFADRO Brc1cnn(C2CC[NH+](Cc3cc(-c4nn[nH]n4)cs3)CC2)c1 ZINC000823831756 608696601 /nfs/dbraw/zinc/69/66/01/608696601.db2.gz BYAHWBGCAIHLID-UHFFFAOYSA-N 1 0 394.302 2.724 20 0 GFADRO COC[C@@H]1CC[N@H+](Cc2cccc(OCc3cccc(-c4nn[nH]n4)c3)c2)C1 ZINC000826153488 608699436 /nfs/dbraw/zinc/69/94/36/608699436.db2.gz PFIVERJONAXCDK-GOSISDBHSA-N 1 0 379.464 2.914 20 0 GFADRO C[C@H]1COCC[N@H+](Cc2cccc(OCc3ccccc3-c3nn[nH]n3)c2)C1 ZINC000825005999 608711920 /nfs/dbraw/zinc/71/19/20/608711920.db2.gz FJSULKWOSOWWLG-MRXNPFEDSA-N 1 0 379.464 2.914 20 0 GFADRO CC1(C)CC[C@H](C[NH2+][C@@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)c2ccccc21 ZINC000824795933 608750423 /nfs/dbraw/zinc/75/04/23/608750423.db2.gz JGCDYHVCQJIRJR-VQIMIIECSA-N 1 0 390.491 2.838 20 0 GFADRO c1ccc2c(c1)OCC[C@@H]2C[N@@H+]1CCO[C@@H](c2cccc(-c3nn[nH]n3)c2)C1 ZINC000826513692 608852215 /nfs/dbraw/zinc/85/22/15/608852215.db2.gz SUJIDFKLTIBMDX-YLJYHZDGSA-N 1 0 377.448 2.806 20 0 GFADRO C[C@H]([NH2+][C@@H]1CC(=O)N(c2c(F)cccc2F)C1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824537434 608884336 /nfs/dbraw/zinc/88/43/36/608884336.db2.gz DZHMEANZVLYCBS-SMDDNHRTSA-N 1 0 384.390 2.601 20 0 GFADRO Cc1cccc(C)c1OC[C@H](O)C[NH2+][C@@H](C)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000826297188 609137356 /nfs/dbraw/zinc/13/73/56/609137356.db2.gz YILCHZVGIBNONU-GOEBONIOSA-N 1 0 385.443 2.713 20 0 GFADRO C[C@H]([NH2+]CC1(N(C)C)Cc2ccccc2C1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824576899 609145733 /nfs/dbraw/zinc/14/57/33/609145733.db2.gz FDAGUZBCOQFNAK-AWEZNQCLSA-N 1 0 380.471 2.756 20 0 GFADRO C[C@@H](C(=O)Nc1cccc(-c2nn[nH]n2)c1)[N@@H+]1CC[C@@H](COc2ccccc2)C1 ZINC000824047095 609147127 /nfs/dbraw/zinc/14/71/27/609147127.db2.gz XEEPPTOHKFECDO-JKSUJKDBSA-N 1 0 392.463 2.595 20 0 GFADRO C[C@H](C(=O)Nc1ccccc1-c1nn[nH]n1)[N@@H+]1CC[C@H](COc2ccccc2)C1 ZINC000824046470 609147331 /nfs/dbraw/zinc/14/73/31/609147331.db2.gz SJDVZNYPKAYXJM-CVEARBPZSA-N 1 0 392.463 2.595 20 0 GFADRO C[C@H](CNC(=O)OC(C)(C)C)C[NH2+][C@H](C)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824419618 609152232 /nfs/dbraw/zinc/15/22/32/609152232.db2.gz ARJORYJOTNXJDR-NWDGAFQWSA-N 1 0 378.452 2.817 20 0 GFADRO COCC[C@@H]([NH2+]C1CCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1)c1ccco1 ZINC000826154191 609167826 /nfs/dbraw/zinc/16/78/26/609167826.db2.gz KHFFPRQSMCWLFC-LJQANCHMSA-N 1 0 396.495 2.792 20 0 GFADRO C[C@@H]([NH2+][C@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O)c1ccc(Cl)nc1 ZINC000824545389 609168962 /nfs/dbraw/zinc/16/89/62/609168962.db2.gz CGBCFLYGIORTSJ-WBMJQRKESA-N 1 0 397.870 2.761 20 0 GFADRO O=C(CC[NH+]1CCC(Oc2cccc(-c3nn[nH]n3)c2)CC1)c1ccccc1 ZINC000826407519 609270172 /nfs/dbraw/zinc/27/01/72/609270172.db2.gz PVUPPLQWJHUKHN-UHFFFAOYSA-N 1 0 377.448 2.983 20 0 GFADRO C[C@H](NC(=O)C=Cc1ccccc1-c1nn[nH]n1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000824477607 609287108 /nfs/dbraw/zinc/28/71/08/609287108.db2.gz APXBHQPHPIBDNT-VTCQZUJXSA-N 1 0 380.496 2.649 20 0 GFADRO COc1cccc([C@@H]2[C@H](Nc3ncccc3-c3nn[nH]n3)CC[N@@H+]2C2CC2)c1 ZINC000826215017 609323122 /nfs/dbraw/zinc/32/31/22/609323122.db2.gz DJHRIXAFYYGBLK-QZTJIDSGSA-N 1 0 377.452 2.660 20 0 GFADRO C[C@@H]([NH2+][C@H](CN1CCOCC1)c1ccccc1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824531885 609323822 /nfs/dbraw/zinc/32/38/22/609323822.db2.gz RFWXEVRNEWDBET-FOIQADDNSA-N 1 0 396.470 2.730 20 0 GFADRO C[C@H]([NH2+]C[C@H](c1ccccc1)N1CCOCC1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824573496 609324572 /nfs/dbraw/zinc/32/45/72/609324572.db2.gz ZOUPUTDPWXTXBO-MGPUTAFESA-N 1 0 396.470 2.730 20 0 GFADRO C[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)CC(=O)N2C)c1ccc(-c2nn[nH]n2)cc1F ZINC000824530241 609333248 /nfs/dbraw/zinc/33/32/48/609333248.db2.gz KIAPWPGDQWPKFR-NWDGAFQWSA-N 1 0 380.427 2.937 20 0 GFADRO C[C@@H](C[NH2+]Cc1cn(C)nc1-c1ccc(-c2nn[nH]n2)cc1)N1CCCC[C@H]1C ZINC000824938918 609336669 /nfs/dbraw/zinc/33/66/69/609336669.db2.gz WZKOPQMCZJLMTB-CVEARBPZSA-N 1 0 394.527 2.620 20 0 GFADRO Cn1cc(C[NH2+]CCCNc2ccccc2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826361928 609340646 /nfs/dbraw/zinc/34/06/46/609340646.db2.gz WLCVTABRWBAYAF-UHFFFAOYSA-N 1 0 388.479 2.859 20 0 GFADRO C[C@H]([NH2+]CCCNC(=O)c1cccc(F)c1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824591733 609341070 /nfs/dbraw/zinc/34/10/70/609341070.db2.gz KENBBPVLOMSGHM-LBPRGKRZSA-N 1 0 386.406 2.616 20 0 GFADRO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1Cc1ccc(-c2nn[nH]n2)cc1Br ZINC000825000150 609361390 /nfs/dbraw/zinc/36/13/90/609361390.db2.gz NDYAWOIPYZKMBD-IUODEOHRSA-N 1 0 391.317 2.688 20 0 GFADRO C[N@@H+]1CCC[C@H]1[C@H]1CCCN1Cc1ccc(-c2nn[nH]n2)cc1Br ZINC000826033348 609362560 /nfs/dbraw/zinc/36/25/60/609362560.db2.gz ASJTUNYXNSEGRV-JKSUJKDBSA-N 1 0 391.317 2.688 20 0 GFADRO Brc1cc(-c2nn[nH]n2)ccc1C[N@@H+]1CCC[C@H]2COCC[C@@H]21 ZINC000823821772 609363712 /nfs/dbraw/zinc/36/37/12/609363712.db2.gz ZSIVIMVFBVTEPD-ZFWWWQNUSA-N 1 0 378.274 2.630 20 0 GFADRO O[C@@]12CCCC[C@@H]1C[N@H+](Cc1ccc(-c3nn[nH]n3)cc1Br)CC2 ZINC000826506526 609364989 /nfs/dbraw/zinc/36/49/89/609364989.db2.gz WKPKVCURHKWOCE-RHSMWYFYSA-N 1 0 392.301 2.756 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccccc1Oc1ccccc1-c1nn[nH]n1 ZINC000825458344 609367255 /nfs/dbraw/zinc/36/72/55/609367255.db2.gz CHZIOHRUKSWRND-OAHLLOKOSA-N 1 0 392.463 2.873 20 0 GFADRO C[C@H]1C[C@@H](NC(=O)c2ccccc2Oc2ccccc2-c2nn[nH]n2)CC[N@@H+]1C ZINC000824894632 609385274 /nfs/dbraw/zinc/38/52/74/609385274.db2.gz ZSJSFRKEDDMGGP-GJZGRUSLSA-N 1 0 392.463 2.872 20 0 GFADRO COc1ccc([C@@H](C)[NH2+][C@@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)cc1 ZINC000826187991 609415241 /nfs/dbraw/zinc/41/52/41/609415241.db2.gz KISVMMGASIFTJU-AUUYWEPGSA-N 1 0 392.463 2.722 20 0 GFADRO O=C1[C@@H]([NH2+][C@H]2CCc3cc(F)ccc32)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476859 609415705 /nfs/dbraw/zinc/41/57/05/609415705.db2.gz QPDKWPLITBLMJS-OALUTQOASA-N 1 0 392.438 2.778 20 0 GFADRO C[N@@H+]1CC[C@H]2CCN(C(=O)Nc3cc4ccc(Br)cn4n3)[C@H]2C1 ZINC000482143986 650660986 /nfs/dbraw/zinc/66/09/86/650660986.db2.gz UFIRJCLQOPRQNG-FZMZJTMJSA-N 1 0 378.274 2.655 20 0 GFADRO COC1([C@H](C)[NH2+]C[C@H](O)c2ccc(F)c(Br)c2)CCOCC1 ZINC000817296418 660189514 /nfs/dbraw/zinc/18/95/14/660189514.db2.gz ICCCXEKVXMXXQT-NHYWBVRUSA-N 1 0 376.266 2.795 20 0 GFADRO COC(=O)c1c2cnn(CN(C)C[C@H]3CCC[N@@H+]3C)c2ccc1Br ZINC000817374037 660192341 /nfs/dbraw/zinc/19/23/41/660192341.db2.gz GSYWSLQDAIHBBF-GFCCVEGCSA-N 1 0 395.301 2.569 20 0 GFADRO CC[NH+]1CCN(CCNC(=O)C(F)(F)c2cc(Cl)ccc2Cl)CC1 ZINC000817533271 660199645 /nfs/dbraw/zinc/19/96/45/660199645.db2.gz OPUKWQMVCRWBTN-UHFFFAOYSA-N 1 0 380.266 2.839 20 0 GFADRO COC1([C@H](C)[NH2+][C@@H](C)c2ccc(S(=O)(=O)C(F)F)cc2)CCOCC1 ZINC000817586891 660201756 /nfs/dbraw/zinc/20/17/56/660201756.db2.gz CJORZAXJODTXJC-STQMWFEESA-N 1 0 377.453 2.918 20 0 GFADRO [NH3+]C[C@@H](NC(=O)CN1C(=S)N=NC1c1ccc(Cl)cc1)C1CCCC1 ZINC000818000839 660213199 /nfs/dbraw/zinc/21/31/99/660213199.db2.gz FGSWRMAIBWZDHS-CQSZACIVSA-N 1 0 379.917 2.521 20 0 GFADRO COc1ccc(Br)cc1C(=O)CCC(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000818017432 660213944 /nfs/dbraw/zinc/21/39/44/660213944.db2.gz HZDAXSYIXQQNDW-GOSISDBHSA-N 1 0 395.297 2.775 20 0 GFADRO COc1ccc(C(=O)NCC[NH2+]C[C@H](O)c2ccc(Br)cc2)cc1 ZINC000818966404 660238910 /nfs/dbraw/zinc/23/89/10/660238910.db2.gz KKJRWGQWTMWRJT-KRWDZBQOSA-N 1 0 393.281 2.511 20 0 GFADRO COc1ccc(C(=O)NCC[NH2+]C[C@@H](O)c2ccc(Br)cc2)cc1 ZINC000818966488 660239042 /nfs/dbraw/zinc/23/90/42/660239042.db2.gz KKJRWGQWTMWRJT-QGZVFWFLSA-N 1 0 393.281 2.511 20 0 GFADRO O[C@@H](C[NH2+]CCc1nnc2n1CCCCC2)c1ccc(F)c(Br)c1 ZINC000818946395 660236588 /nfs/dbraw/zinc/23/65/88/660236588.db2.gz LYSMDCULDDKVRE-HNNXBMFYSA-N 1 0 397.292 2.772 20 0 GFADRO CNC(=O)c1cccc(C[NH2+]C[C@](C)(O)c2ccc(Br)cc2F)c1 ZINC000818952715 660237689 /nfs/dbraw/zinc/23/76/89/660237689.db2.gz VQSDJAPAQYCNTK-SFHVURJKSA-N 1 0 395.272 2.945 20 0 GFADRO CN(C[C@@H](O)C[NH2+]Cc1ccc(Br)c(F)c1)C(=O)OC(C)(C)C ZINC000818984874 660241536 /nfs/dbraw/zinc/24/15/36/660241536.db2.gz MIIIRCLLQQRVIQ-LBPRGKRZSA-N 1 0 391.281 2.906 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)C[NH2+]C[C@@H](O)c1ccc(F)cn1 ZINC000818991199 660242155 /nfs/dbraw/zinc/24/21/55/660242155.db2.gz YYFSHWUTCUNZQW-OAHLLOKOSA-N 1 0 382.233 2.553 20 0 GFADRO CN(C)C(=O)[C@H]1CCCN1CCC[NH2+]C[C@@H](O)c1ccc(Cl)cc1Cl ZINC000818997774 660242679 /nfs/dbraw/zinc/24/26/79/660242679.db2.gz KUQKXRDINROASI-IAGOWNOFSA-N 1 0 388.339 2.559 20 0 GFADRO CC(C)(C)NC(=O)CC[NH2+]C[C@](C)(O)c1ccc(Br)cc1F ZINC000819013040 660243256 /nfs/dbraw/zinc/24/32/56/660243256.db2.gz NLGRCXRBJWEUTN-INIZCTEOSA-N 1 0 375.282 2.690 20 0 GFADRO O[C@@H](C[NH2+]CC1(N2CCCC2)CCOCC1)c1ccc(Br)cc1 ZINC000819021034 660243732 /nfs/dbraw/zinc/24/37/32/660243732.db2.gz NLTNDSQAGQYEQY-KRWDZBQOSA-N 1 0 383.330 2.717 20 0 GFADRO O[C@H](C[NH2+]C1CCN(C[C@@H]2CCCO2)CC1)c1ccc(Br)cc1 ZINC000819062308 660244878 /nfs/dbraw/zinc/24/48/78/660244878.db2.gz PPWYETNSQFVASD-ZWKOTPCHSA-N 1 0 383.330 2.716 20 0 GFADRO CCc1nncn1CC[NH2+]C[C@](C)(O)c1ccc(Br)cc1Cl ZINC000819089216 660246082 /nfs/dbraw/zinc/24/60/82/660246082.db2.gz IBYMEOOBMMDMSH-HNNXBMFYSA-N 1 0 387.709 2.754 20 0 GFADRO CCO[C@@H]1C[C@H]([NH2+]C[C@H](O)c2ccc(F)c(Br)c2)[C@]12CCCO2 ZINC000819229875 660250998 /nfs/dbraw/zinc/25/09/98/660250998.db2.gz OUKJZPNVBFIKQU-MWDXBVQZSA-N 1 0 388.277 2.938 20 0 GFADRO CC1(C)OC[C@@H](C[NH2+]C[C@@H](O)COc2ccc(Cl)cc2Br)O1 ZINC000819153772 660248180 /nfs/dbraw/zinc/24/81/80/660248180.db2.gz DJRYOFBABSNUSM-VXGBXAGGSA-N 1 0 394.693 2.583 20 0 GFADRO C[C@H]([NH2+]C[C@@](C)(O)c1ccc(Br)cc1Cl)[C@@H]1CN(C)CCO1 ZINC000819177393 660248789 /nfs/dbraw/zinc/24/87/89/660248789.db2.gz HCECJJMZJOPNPL-KNXALSJPSA-N 1 0 391.737 2.619 20 0 GFADRO CC(C)(C)OC(=O)NCC[C@H](O)C[NH2+]Cc1ccc(O)c(Br)c1 ZINC000819176862 660248884 /nfs/dbraw/zinc/24/88/84/660248884.db2.gz OKQWWHQFGGTURE-LBPRGKRZSA-N 1 0 389.290 2.520 20 0 GFADRO CCOc1cc(Cl)ccc1C[NH2+]C[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC000819185144 660249262 /nfs/dbraw/zinc/24/92/62/660249262.db2.gz IGROVKXGVMMXBT-QGZVFWFLSA-N 1 0 383.897 2.965 20 0 GFADRO O=S(=O)(NCC[NH2+]C[C@@H](O)c1ccc(Cl)cc1Cl)c1cccs1 ZINC000819182242 660249387 /nfs/dbraw/zinc/24/93/87/660249387.db2.gz AHQRHBHSNNTPSF-CYBMUJFWSA-N 1 0 395.333 2.656 20 0 GFADRO CCc1nn(C)c(OC)c1C[NH2+]C[C@@H](O)c1ccc(F)c(Br)c1 ZINC000819205192 660250104 /nfs/dbraw/zinc/25/01/04/660250104.db2.gz GFJDIPHRGKOSNC-OAHLLOKOSA-N 1 0 386.265 2.716 20 0 GFADRO CS(=O)(=O)CC[NH2+]CCOc1c(Cl)cc(Br)cc1Cl ZINC000819211235 660250334 /nfs/dbraw/zinc/25/03/34/660250334.db2.gz XBWRYCRGUNDUHV-UHFFFAOYSA-N 1 0 391.114 2.769 20 0 GFADRO CN(C)S(=O)(=O)c1cccc(C[NH2+]C[C@H](O)c2ccc(Cl)c(F)c2)c1 ZINC000819219191 660250515 /nfs/dbraw/zinc/25/05/15/660250515.db2.gz OGDWLGKNLNKMGN-KRWDZBQOSA-N 1 0 386.876 2.553 20 0 GFADRO Cc1ccc(C[NH2+]C[C@@](C)(O)c2ccc(Br)cc2F)c(=O)n1C ZINC000819269760 660252943 /nfs/dbraw/zinc/25/29/43/660252943.db2.gz OFMWEWFALPEBII-QGZVFWFLSA-N 1 0 383.261 2.593 20 0 GFADRO O=S(=O)(CC[NH2+]C[C@@H](O)c1ccc(F)cc1Cl)CCc1ccccc1 ZINC000819291066 660253775 /nfs/dbraw/zinc/25/37/75/660253775.db2.gz KHKSNTHAOOOAOS-GOSISDBHSA-N 1 0 385.888 2.760 20 0 GFADRO CC(C)[C@H]([NH2+]C[C@](C)(O)c1ccc(Br)cc1F)c1nncn1C ZINC000819304526 660254400 /nfs/dbraw/zinc/25/44/00/660254400.db2.gz WYXBSSXWFUGFEF-HOCLYGCPSA-N 1 0 385.281 2.911 20 0 GFADRO COC(=O)N1CCC(C[NH2+]C[C@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000819307727 660254507 /nfs/dbraw/zinc/25/45/07/660254507.db2.gz FLTRRUQHUCMJBI-AWEZNQCLSA-N 1 0 391.295 2.801 20 0 GFADRO Cc1cc(CC[NH2+]CCS(=O)(=O)CC(=O)OC(C)(C)C)ccc1Cl ZINC000819323507 660254936 /nfs/dbraw/zinc/25/49/36/660254936.db2.gz OBCSNECCKWZMGG-UHFFFAOYSA-N 1 0 375.918 2.537 20 0 GFADRO CC(C)(C)OC(=O)CS(=O)(=O)CC[NH2+]CCc1cc2ccccc2s1 ZINC000819332407 660255319 /nfs/dbraw/zinc/25/53/19/660255319.db2.gz RGRBREYJDMQWLM-UHFFFAOYSA-N 1 0 383.535 2.790 20 0 GFADRO Cn1nccc1[C@@H]1C[C@@H]([NH2+]C[C@H](O)c2ccccc2Br)CCO1 ZINC000819356791 660256627 /nfs/dbraw/zinc/25/66/27/660256627.db2.gz ZTAIKASPIMUSBS-ZLIFDBKOSA-N 1 0 380.286 2.726 20 0 GFADRO C[C@](O)(C[NH2+][C@H]1CCN(CC(F)F)C1)c1ccc(Br)cc1F ZINC000819376676 660257569 /nfs/dbraw/zinc/25/75/69/660257569.db2.gz FKDHAUDOQXBVDZ-NHYWBVRUSA-N 1 0 381.236 2.725 20 0 GFADRO COCC(C)(C)[NH+]1CCN(C(=O)C[C@H](O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000819635201 660265791 /nfs/dbraw/zinc/26/57/91/660265791.db2.gz CNHBJJHLAQKNGR-INIZCTEOSA-N 1 0 389.323 2.986 20 0 GFADRO COc1cc2[nH+]ccc(NCCCc3cnn(C)n3)c2cc1Br ZINC000819931867 660275539 /nfs/dbraw/zinc/27/55/39/660275539.db2.gz XBYYSRHOMNETBR-UHFFFAOYSA-N 1 0 376.258 2.601 20 0 GFADRO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)N(C)Cc1cccc(Br)c1 ZINC000820068527 660280129 /nfs/dbraw/zinc/28/01/29/660280129.db2.gz MSWJLJINGMUZKA-HNNXBMFYSA-N 1 0 399.377 2.863 20 0 GFADRO C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)c1cc(Br)cnc1Br ZINC000820557978 660297222 /nfs/dbraw/zinc/29/72/22/660297222.db2.gz JLCWSGBZQAJPIF-GZMMTYOYSA-N 1 0 391.107 2.771 20 0 GFADRO CC[NH+](CC)[C@H](C)CNS(=O)(=O)c1cnc(Cl)c(Br)c1 ZINC000820785089 660305825 /nfs/dbraw/zinc/30/58/25/660305825.db2.gz JQWHTRSIKNBAPF-SECBINFHSA-N 1 0 384.727 2.506 20 0 GFADRO C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1nc(C3CC3)ncc1Br)C2 ZINC000821026654 660313526 /nfs/dbraw/zinc/31/35/26/660313526.db2.gz YVXYDOWIGLODHH-KRWDZBQOSA-N 1 0 379.302 2.674 20 0 GFADRO CCS[C@@H]1CC[C@H]([N@H+](C)CCC(=O)Nc2sccc2-c2nn[nH]n2)C1 ZINC000821449271 660326429 /nfs/dbraw/zinc/32/64/29/660326429.db2.gz RKTHOWFBNMUVCF-NWDGAFQWSA-N 1 0 380.543 2.863 20 0 GFADRO C[N@H+](CCCCNC(=O)C[C@H]1C(=O)Nc2ccc(Br)cc21)C1CC1 ZINC000822272550 660342453 /nfs/dbraw/zinc/34/24/53/660342453.db2.gz SHVACVWSRAYJHV-OAHLLOKOSA-N 1 0 394.313 2.866 20 0 GFADRO C[N@@H+]1CCC[C@H](CCNC(=O)C[C@H]2C(=O)Nc3c2cccc3Br)C1 ZINC000822458440 660345958 /nfs/dbraw/zinc/34/59/58/660345958.db2.gz ZMAQHJXSOPAHLY-TZMCWYRMSA-N 1 0 394.313 2.723 20 0 GFADRO CS(=O)(=O)Nc1ccc(N2CC[NH+](CC[C@H]3CC3(Cl)Cl)CC2)cc1 ZINC000822804064 660354714 /nfs/dbraw/zinc/35/47/14/660354714.db2.gz VTSIKLVLVUIVSO-ZDUSSCGKSA-N 1 0 392.352 2.764 20 0 GFADRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)C[C@@]2(C)CC2(Cl)Cl)CC1 ZINC000822912739 660357885 /nfs/dbraw/zinc/35/78/85/660357885.db2.gz JDIMZSSZCVVYKO-INMHGKMJSA-N 1 0 376.372 2.977 20 0 GFADRO CC(C)[C@@H](C[NH+](C)C)NC(=O)c1ccc(I)cc1F ZINC000823306779 660368075 /nfs/dbraw/zinc/36/80/75/660368075.db2.gz ZHXNOJSAFJGSCR-CYBMUJFWSA-N 1 0 378.229 2.746 20 0 GFADRO O=C(Cc1sccc1Br)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000823301635 660367884 /nfs/dbraw/zinc/36/78/84/660367884.db2.gz MTYXPTLJJDWBGT-CYBMUJFWSA-N 1 0 387.343 2.813 20 0 GFADRO Cc1cc(Br)nc(NC(=O)N[C@@H](C)CN(C)CCC[NH+](C)C)c1 ZINC000823719573 660378723 /nfs/dbraw/zinc/37/87/23/660378723.db2.gz WXFMRLAVMILKSO-ZDUSSCGKSA-N 1 0 386.338 2.546 20 0 GFADRO CC(C)[C@H](CNC(=O)OC(C)(C)C)C[NH2+][C@@H]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000823911390 660382870 /nfs/dbraw/zinc/38/28/70/660382870.db2.gz GWOMKXZITJZKPB-ARFHVFGLSA-N 1 0 376.563 2.729 20 0 GFADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+]C[C@H]1CCC=CO1 ZINC000824231033 660387654 /nfs/dbraw/zinc/38/76/54/660387654.db2.gz HZGCFADSZCZZPF-IUODEOHRSA-N 1 0 383.286 2.745 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]C[C@@H]1CCC=CO1 ZINC000824231135 660387693 /nfs/dbraw/zinc/38/76/93/660387693.db2.gz HZGCFADSZCZZPF-WFASDCNBSA-N 1 0 383.286 2.745 20 0 GFADRO O=C(c1cc(Br)n[nH]1)N1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC000824316443 660389640 /nfs/dbraw/zinc/38/96/40/660389640.db2.gz KQMXPWZUJPZAIV-UHFFFAOYSA-N 1 0 389.297 2.835 20 0 GFADRO Cn1c(Cl)cnc1-c1csc(NC(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)n1 ZINC000824491811 660394251 /nfs/dbraw/zinc/39/42/51/660394251.db2.gz WITHGCMSVIDGOY-MRXNPFEDSA-N 1 0 380.905 2.757 20 0 GFADRO Cn1nc(C(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)cc1Br ZINC000824615682 660398149 /nfs/dbraw/zinc/39/81/49/660398149.db2.gz KLUATKHRCQLLQK-OAHLLOKOSA-N 1 0 377.286 2.750 20 0 GFADRO O=C(Cc1c(Cl)cccc1Br)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000824733640 660400190 /nfs/dbraw/zinc/40/01/90/660400190.db2.gz RGNZQKQJKXMQKK-RYUDHWBXSA-N 1 0 387.705 2.624 20 0 GFADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]C[C@H]1CCCC1(F)F ZINC000824799145 660402318 /nfs/dbraw/zinc/40/23/18/660402318.db2.gz KXBSSYHCVVYBKR-VXGBXAGGSA-N 1 0 381.876 2.730 20 0 GFADRO O=S(=O)(CC[NH2+][C@H]1CCc2c1cccc2Br)C1CCOCC1 ZINC000824903351 660404506 /nfs/dbraw/zinc/40/45/06/660404506.db2.gz FICJTFBYNGPMMN-INIZCTEOSA-N 1 0 388.327 2.620 20 0 GFADRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)CC[C@@H]2CC2(Cl)Cl)CC1 ZINC000824998468 660407351 /nfs/dbraw/zinc/40/73/51/660407351.db2.gz QYDJLRUVVBXKEU-BZUAXINKSA-N 1 0 376.372 2.977 20 0 GFADRO O[C@H](C[NH2+]Cc1cnc(N2CCOCC2)s1)c1ccccc1Br ZINC000825338310 660421545 /nfs/dbraw/zinc/42/15/45/660421545.db2.gz OEGIWVVJWCAVIY-OAHLLOKOSA-N 1 0 398.326 2.565 20 0 GFADRO Cn1nc(C(=O)Nc2ccccc2NC2CC[NH+](C)CC2)cc1Br ZINC000825600177 660434789 /nfs/dbraw/zinc/43/47/89/660434789.db2.gz BKIMRECOXLFIES-UHFFFAOYSA-N 1 0 392.301 2.941 20 0 GFADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2sc(N(C)C)nc2Cl)[C@@H](C)C1 ZINC000825874229 660444579 /nfs/dbraw/zinc/44/45/79/660444579.db2.gz WIDGVXPCEDTIEN-STQMWFEESA-N 1 0 388.965 2.729 20 0 GFADRO Cn1nc(C(=O)NC[C@@H](c2ccc(Cl)cc2)[NH+](C)C)cc1Br ZINC000826586428 660458273 /nfs/dbraw/zinc/45/82/73/660458273.db2.gz ZULMCIUPXROWDH-ZDUSSCGKSA-N 1 0 385.693 2.869 20 0 GFADRO CN(C)C(=O)CCC[N@@H+]1CC[C@@]2(C)[C@@H](C1)C2(Br)Br ZINC000852335741 661860965 /nfs/dbraw/zinc/86/09/65/661860965.db2.gz MLQCGIXUZNWJAP-PWSUYJOCSA-N 1 0 382.140 2.683 20 0 GFADRO C[NH+](C)CCC[C@@H]1CN(C(=O)c2cc(F)cc(Br)c2F)CCO1 ZINC000826693792 660461698 /nfs/dbraw/zinc/46/16/98/660461698.db2.gz CRDBDHNPQWNKKE-GFCCVEGCSA-N 1 0 391.256 2.910 20 0 GFADRO C[NH+](C)CCC[C@H]1CN(C(=O)c2ncc(C(F)(F)F)cc2Cl)CCO1 ZINC000826696797 660461765 /nfs/dbraw/zinc/46/17/65/660461765.db2.gz ZVNHZDAFGKEHGQ-LBPRGKRZSA-N 1 0 379.810 2.937 20 0 GFADRO C[C@@H]1C[C@H](C[NH2+]CC[S@](=O)CC(F)(F)F)CCN1C(=O)OC(C)(C)C ZINC000826868037 660469220 /nfs/dbraw/zinc/46/92/20/660469220.db2.gz OQPZRXGLCZQXEO-DSGZJRDPSA-N 1 0 386.480 2.923 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)c2cc(Br)n(C)n2)C[N@@H+]1Cc1ccccc1 ZINC000826869835 660469262 /nfs/dbraw/zinc/46/92/62/660469262.db2.gz AHYNYZRLISEOLQ-OCCSQVGLSA-N 1 0 377.286 2.575 20 0 GFADRO CN(C)c1nc(Cl)c(C(=O)N2CC[C@H](OCC[NH+]3CCCCC3)C2)s1 ZINC000826902570 660471032 /nfs/dbraw/zinc/47/10/32/660471032.db2.gz KQPRAKRPOZZISY-ZDUSSCGKSA-N 1 0 386.949 2.580 20 0 GFADRO Cc1cc(I)cc(C(=O)N2CCC([NH+]3CCC3)CC2)c1 ZINC000826936953 660472517 /nfs/dbraw/zinc/47/25/17/660472517.db2.gz VVDKQABQEYXWFY-UHFFFAOYSA-N 1 0 384.261 2.910 20 0 GFADRO C[C@H]1CC[NH2+][C@H](C(=O)N2CC[C@@]3(C)[C@@H](C2)C3(Br)Br)C1 ZINC000852901960 661876882 /nfs/dbraw/zinc/87/68/82/661876882.db2.gz XPLQNAOGMGOTML-KQXIARHKSA-N 1 0 394.151 2.729 20 0 GFADRO C[C@]1(CC(=O)N[C@@H]2C[N@H+](Cc3ccccc3)CC[C@H]2CO)CC1(Cl)Cl ZINC000827142792 660480717 /nfs/dbraw/zinc/48/07/17/660480717.db2.gz RMWBNFWNMDHWIK-JZXOWHBKSA-N 1 0 385.335 2.960 20 0 GFADRO O=C(c1c(Br)nc2n1CCC2)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000827149064 660481317 /nfs/dbraw/zinc/48/13/17/660481317.db2.gz UTRFYBQKMFRTLK-TZMCWYRMSA-N 1 0 393.329 2.681 20 0 GFADRO C[N@@H+]1CC[C@H]2CN(C(=O)c3csc(I)c3)CC[C@H]21 ZINC000827319356 660489062 /nfs/dbraw/zinc/48/90/62/660489062.db2.gz NCQGMEMAWBSJKM-GXSJLCMTSA-N 1 0 376.263 2.519 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc(F)ccc3I)CC[C@H]21 ZINC000827328185 660489361 /nfs/dbraw/zinc/48/93/61/660489361.db2.gz CULYTUMVOHNLJO-QMTHXVAHSA-N 1 0 388.224 2.597 20 0 GFADRO C[C@H](Oc1ccc(F)cc1Br)C(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000827337237 660489623 /nfs/dbraw/zinc/48/96/23/660489623.db2.gz KTIZUDAOJSMXMF-HUBLWGQQSA-N 1 0 385.277 2.908 20 0 GFADRO C[N@@H+]1CC[C@H]2CN(C(=O)c3c(O)cnc4c(Br)cccc43)CC[C@H]21 ZINC000827255956 660486252 /nfs/dbraw/zinc/48/62/52/660486252.db2.gz VAPYRZNIMXZVQO-SMDDNHRTSA-N 1 0 390.281 2.869 20 0 GFADRO C[N@@H+]1CC[C@H]2CN(C(=O)c3ccc(F)c(I)c3)CC[C@@H]21 ZINC000827302671 660488528 /nfs/dbraw/zinc/48/85/28/660488528.db2.gz WVKWZQITIAORAH-FZMZJTMJSA-N 1 0 388.224 2.597 20 0 GFADRO C[NH+](C)CCOc1ccc(CN2CCn3ncc(Br)c3C2)cc1 ZINC000827445816 660496123 /nfs/dbraw/zinc/49/61/23/660496123.db2.gz FYAWKHAVUCSGCC-UHFFFAOYSA-N 1 0 379.302 2.602 20 0 GFADRO CN(C)c1nc(Cl)c(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)s1 ZINC000827760604 660513522 /nfs/dbraw/zinc/51/35/22/660513522.db2.gz LENCFPLZXOFPOK-UHFFFAOYSA-N 1 0 379.917 2.904 20 0 GFADRO Cc1ccc(Br)c2cc(C(=O)N3CCC(O)(C[NH+](C)C)CC3)[nH]c21 ZINC000828195785 660539062 /nfs/dbraw/zinc/53/90/62/660539062.db2.gz JAHXPMZPUWLBLO-UHFFFAOYSA-N 1 0 394.313 2.768 20 0 GFADRO C[N@@H+]1CC[C@H]2CN(C(=O)c3cc4ccc(Br)cc4c(=O)o3)CC[C@H]21 ZINC000828511078 660553206 /nfs/dbraw/zinc/55/32/06/660553206.db2.gz KVGVSAILHZCPQQ-SWLSCSKDSA-N 1 0 391.265 2.722 20 0 GFADRO COCCC[N@H+](C)CCNC(=O)C(F)(F)c1ccc(Br)cc1 ZINC000828686193 660561429 /nfs/dbraw/zinc/56/14/29/660561429.db2.gz HFGWTBSHPGDTKH-UHFFFAOYSA-N 1 0 379.245 2.625 20 0 GFADRO CC[N@H+](C)C[C@H]1CCN(C(=O)[C@]2(C)CC2(Br)Br)C1 ZINC000829208405 660585175 /nfs/dbraw/zinc/58/51/75/660585175.db2.gz PORJAXJCOHPXDA-PWSUYJOCSA-N 1 0 382.140 2.683 20 0 GFADRO C[NH+]1CCC(OCC(=O)NCc2cc3cc(Br)ccc3o2)CC1 ZINC000829289781 660587605 /nfs/dbraw/zinc/58/76/05/660587605.db2.gz VBTKAEUVRREJEZ-UHFFFAOYSA-N 1 0 381.270 2.922 20 0 GFADRO [NH3+][C@H](CC(=O)NCCSCCOc1cccc(Br)c1)C1CC1 ZINC000829326105 660589441 /nfs/dbraw/zinc/58/94/41/660589441.db2.gz DUCSDAWJDHZMMU-OAHLLOKOSA-N 1 0 387.343 2.805 20 0 GFADRO O=C(CC[N@@H+]1CCc2ccccc2C1)NCc1ncc(Br)s1 ZINC000829534728 660596875 /nfs/dbraw/zinc/59/68/75/660596875.db2.gz QHCIUNVRPFLJLH-UHFFFAOYSA-N 1 0 380.311 2.970 20 0 GFADRO C[NH+](C)[C@@]1(CNC(=O)c2cnn(C(C)(C)C)c2Br)CCSC1 ZINC000829626580 660603934 /nfs/dbraw/zinc/60/39/34/660603934.db2.gz OSBYHXGWWBXSQP-OAHLLOKOSA-N 1 0 389.363 2.568 20 0 GFADRO C[C@@H]1CC[C@@H](NC(=O)Nc2ccn(-c3ccc(Br)cc3)n2)C[NH2+]1 ZINC000625890512 652375262 /nfs/dbraw/zinc/37/52/62/652375262.db2.gz KZPIBAPHJWUYDK-DGCLKSJQSA-N 1 0 378.274 2.897 20 0 GFADRO O=C(NC[C@H]1COCC[NH2+]1)Nc1nnc(-c2cc(Cl)cc(Cl)c2)s1 ZINC000625900552 652375552 /nfs/dbraw/zinc/37/55/52/652375552.db2.gz XROLOUUFUDCOAQ-NSHDSACASA-N 1 0 388.280 2.622 20 0 GFADRO O=C1OCCN1C[C@H]1CC[N@@H+](C[C@@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000830094963 660634528 /nfs/dbraw/zinc/63/45/28/660634528.db2.gz JZZHMLDGHVIHSL-GXTWGEPZSA-N 1 0 389.279 2.507 20 0 GFADRO CN(C)C(=O)O[C@@H]1CC[N@H+](C[C@@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000830488539 660659100 /nfs/dbraw/zinc/65/91/00/660659100.db2.gz XIBIOJHOALRKHF-CHWSQXEVSA-N 1 0 377.268 2.506 20 0 GFADRO CN(c1ccc(OCC[NH+](C)C)cc1)S(=O)(=O)C[C@H]1CCCC1(F)F ZINC000830451588 660657418 /nfs/dbraw/zinc/65/74/18/660657418.db2.gz RBKQHMCNTFZNTE-CQSZACIVSA-N 1 0 376.469 2.828 20 0 GFADRO O=C(CC[C@@H]1CC1(Cl)Cl)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO ZINC000830550516 660663357 /nfs/dbraw/zinc/66/33/57/660663357.db2.gz XAMDYIFFMCHCPA-GVDBMIGSSA-N 1 0 385.335 2.960 20 0 GFADRO C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)C[C@H]([NH3+])C2CC2)CC1 ZINC000830580201 660665025 /nfs/dbraw/zinc/66/50/25/660665025.db2.gz PZYGDSMMXIFHQK-DYVFJYSZSA-N 1 0 380.330 2.782 20 0 GFADRO COCC[N@H+]1[C@H](C)CN(C(=O)Nc2ccnc(Br)c2C)C[C@@H]1C ZINC000831835731 660730658 /nfs/dbraw/zinc/73/06/58/660730658.db2.gz SONKEXYKJRVCDS-TXEJJXNPSA-N 1 0 385.306 2.725 20 0 GFADRO O=C(NCc1cc(Br)ccc1Br)[C@]1(F)CC[NH2+]C1 ZINC000831921151 660737355 /nfs/dbraw/zinc/73/73/55/660737355.db2.gz ICVXXAZZWNUGDY-LBPRGKRZSA-N 1 0 380.055 2.529 20 0 GFADRO CC[NH2+]CCNC(=O)c1cnn(-c2ncccc2Cl)c1C(F)(F)Cl ZINC000832582246 660788044 /nfs/dbraw/zinc/78/80/44/660788044.db2.gz XVCKCZZFGOLSBX-UHFFFAOYSA-N 1 0 378.210 2.548 20 0 GFADRO CC(C)[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2cc(Br)cnc2Cl)C1 ZINC000832760694 660798947 /nfs/dbraw/zinc/79/89/47/660798947.db2.gz DHNBUAUHZFQNHT-NSHDSACASA-N 1 0 396.738 2.601 20 0 GFADRO C[NH+](C)[C@@H]1CCCN(C(=O)[C@]2(C)CC2(Br)Br)CC1 ZINC000834437139 660819865 /nfs/dbraw/zinc/81/98/65/660819865.db2.gz ZALKIWXIKKCZGC-PWSUYJOCSA-N 1 0 382.140 2.825 20 0 GFADRO C[C@@H]1C[N@H+](CCCNC(=O)c2cc(Cl)nc(C(F)(F)F)c2)CCCO1 ZINC000834448045 660820744 /nfs/dbraw/zinc/82/07/44/660820744.db2.gz MLDGYMLCICPMPT-LLVKDONJSA-N 1 0 379.810 2.985 20 0 GFADRO CCC[C@@H](C)NS(=O)(=O)c1cc(C(=O)N[C@H](C)C[NH3+])c(Cl)cc1Cl ZINC000834524897 660823373 /nfs/dbraw/zinc/82/33/73/660823373.db2.gz DIJGAPSCWJSTJA-NXEZZACHSA-N 1 0 396.340 2.537 20 0 GFADRO C[C@H]([NH2+]C[C@H](O)c1cnn(C)c1)c1ccc(F)c(I)c1 ZINC000834601887 660826211 /nfs/dbraw/zinc/82/62/11/660826211.db2.gz DEYYUOMMUXKLIH-XPTSAGLGSA-N 1 0 389.212 2.548 20 0 GFADRO C[C@@H](CC(=O)NC[C@@H]1[NH2+]CCc2ccccc21)n1cc(Br)cn1 ZINC000834764976 660832354 /nfs/dbraw/zinc/83/23/54/660832354.db2.gz PSTMAEFSJKOWST-LRDDRELGSA-N 1 0 377.286 2.600 20 0 GFADRO Nc1nc(Cl)ccc1C(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000834773176 660832795 /nfs/dbraw/zinc/83/27/95/660832795.db2.gz NKSLGLCWBAGZTI-UHFFFAOYSA-N 1 0 376.810 2.852 20 0 GFADRO O=C(NC[C@@H](O)Cc1cccc(Cl)c1)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000834807060 660833479 /nfs/dbraw/zinc/83/34/79/660833479.db2.gz UJOOCDSNMFGQAZ-MSOLQXFVSA-N 1 0 382.957 2.577 20 0 GFADRO Cc1cc(Br)nc(NC(=O)C(=O)NCCCCCCC[NH+](C)C)c1 ZINC000835084664 660840397 /nfs/dbraw/zinc/84/03/97/660840397.db2.gz MNHZQPKLHQCERR-UHFFFAOYSA-N 1 0 399.333 2.719 20 0 GFADRO CS[C@@H](CO)[C@@H](C)[NH2+]Cc1nc2c(s1)CN(C(=O)OC(C)(C)C)CC2 ZINC000835040571 660839283 /nfs/dbraw/zinc/83/92/83/660839283.db2.gz QCBCUXNKHISPPT-RISCZKNCSA-N 1 0 387.571 2.638 20 0 GFADRO Cc1cc(Br)nc(NC(=O)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)c1 ZINC000835131524 660841822 /nfs/dbraw/zinc/84/18/22/660841822.db2.gz DYBQRGJRVLEZEN-GFCCVEGCSA-N 1 0 399.333 2.574 20 0 GFADRO C[C@]1(CCNC(=O)N[C@@H]2CCCC[C@@H]2N2CCOCC2)CC1(Cl)Cl ZINC000836362790 660901764 /nfs/dbraw/zinc/90/17/64/660901764.db2.gz UKELWSHTYRQHLF-YCPHGPKFSA-N 1 0 378.344 2.903 20 0 GFADRO C[C@]1(CNC(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)CC1(Cl)Cl ZINC000836590930 660918430 /nfs/dbraw/zinc/91/84/30/660918430.db2.gz WDSGMVVHRHFREO-OFQRWUPVSA-N 1 0 378.344 2.637 20 0 GFADRO C[C@]1(CCNC(=O)N2CCC(C[NH+]3CCOCC3)CC2)CC1(Cl)Cl ZINC000836619609 660921682 /nfs/dbraw/zinc/92/16/82/660921682.db2.gz MSIXHCRBBXDTAB-INIZCTEOSA-N 1 0 378.344 2.714 20 0 GFADRO Cc1c(Br)nccc1NC(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000836678010 660925951 /nfs/dbraw/zinc/92/59/51/660925951.db2.gz MQHCAFOSVHSGFD-AWEZNQCLSA-N 1 0 397.317 2.917 20 0 GFADRO COc1c[nH+]ccc1N1CCN(C(=O)Nc2ccnc(Br)c2)CC1 ZINC000836694908 660932019 /nfs/dbraw/zinc/93/20/19/660932019.db2.gz RHQRXDNETJGBFB-UHFFFAOYSA-N 1 0 392.257 2.602 20 0 GFADRO Cc1cc(Br)nc(NC(=O)NC(C)(C)CC[NH+]2CCN(C)CC2)c1 ZINC000836761402 660940179 /nfs/dbraw/zinc/94/01/79/660940179.db2.gz NHYRDTJQXWVNEN-UHFFFAOYSA-N 1 0 398.349 2.690 20 0 GFADRO C[NH+](C)CCCC(C)(C)NC(=O)c1cn(-c2ccccc2Br)nn1 ZINC000836854979 660950278 /nfs/dbraw/zinc/95/02/78/660950278.db2.gz CREKNDPRCIMUKT-UHFFFAOYSA-N 1 0 394.317 2.880 20 0 GFADRO CC[NH+](CC)CCN(C(=S)Nc1ccccc1C)[C@H]1CCS(=O)(=O)C1 ZINC000011047295 654495601 /nfs/dbraw/zinc/49/56/01/654495601.db2.gz JJRYAAHTKCMYBO-INIZCTEOSA-N 1 0 383.583 2.523 20 0 GFADRO Cc1cnc(C(=O)Nc2cc(Br)ccc2N2CC[NH+](C)CC2)cn1 ZINC000021843137 654530193 /nfs/dbraw/zinc/53/01/93/654530193.db2.gz DNLGQACTUDUEMN-UHFFFAOYSA-N 1 0 390.285 2.552 20 0 GFADRO O=S(=O)(NCC1CC[NH+](Cc2ccncc2)CC1)c1ccc(Cl)cc1 ZINC000023000154 654535737 /nfs/dbraw/zinc/53/57/37/654535737.db2.gz NGDUKEXASNTTFV-UHFFFAOYSA-N 1 0 379.913 2.926 20 0 GFADRO C[NH+](C)Cc1ccccc1NC(=O)CNC(=O)c1cccc(Br)c1 ZINC000024810880 654545186 /nfs/dbraw/zinc/54/51/86/654545186.db2.gz PSCSFVPVOXBBBF-UHFFFAOYSA-N 1 0 390.281 2.879 20 0 GFADRO CC(C)[NH+](CCNC(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1)C(C)C ZINC000029753586 654579133 /nfs/dbraw/zinc/57/91/33/654579133.db2.gz VSPRQJSTQNHENJ-UHFFFAOYSA-N 1 0 380.432 2.829 20 0 GFADRO CC(C)[C@H](C)[N@H+](C)CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000030148745 654582646 /nfs/dbraw/zinc/58/26/46/654582646.db2.gz BNAHAFRCKJPIOY-LBPRGKRZSA-N 1 0 375.922 2.505 20 0 GFADRO CCC[C@@H](C)[N@H+](C)CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000030269520 654584061 /nfs/dbraw/zinc/58/40/61/654584061.db2.gz BBFYLCUJJRQHEN-GFCCVEGCSA-N 1 0 375.922 2.649 20 0 GFADRO O=C(Cc1cc2c(cc1Br)OCCO2)NC1CC[NH+](C2CC2)CC1 ZINC000042742997 654643145 /nfs/dbraw/zinc/64/31/45/654643145.db2.gz KLQCJSVXEOFQCQ-UHFFFAOYSA-N 1 0 395.297 2.506 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)NNC(=O)c1cc2c(s1)CCC2)c1cccs1 ZINC000043146126 654647805 /nfs/dbraw/zinc/64/78/05/654647805.db2.gz CUILPRGRWNRVLT-LBPRGKRZSA-N 1 0 378.523 2.545 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)NNC(=O)c1cc2c(s1)CCC2)c1cccs1 ZINC000043146128 654647857 /nfs/dbraw/zinc/64/78/57/654647857.db2.gz CUILPRGRWNRVLT-GFCCVEGCSA-N 1 0 378.523 2.545 20 0 GFADRO CC1CC[NH+](CCNC(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)CC1 ZINC000043452653 654649610 /nfs/dbraw/zinc/64/96/10/654649610.db2.gz ATSWGAGXNVQPSN-UHFFFAOYSA-N 1 0 375.441 2.536 20 0 GFADRO CCN1CC[NH+](CCCCNC(=O)Nc2nc(C(F)(F)F)cs2)CC1 ZINC000043633509 654650726 /nfs/dbraw/zinc/65/07/26/654650726.db2.gz ZPSRPAFRDADADU-UHFFFAOYSA-N 1 0 379.452 2.701 20 0 GFADRO CC[NH+]1CCN([C@H](C)CNC(=S)Nc2cccc(Br)c2)CC1 ZINC000044080172 654653840 /nfs/dbraw/zinc/65/38/40/654653840.db2.gz MJINGFLSUHCESQ-CYBMUJFWSA-N 1 0 385.375 2.762 20 0 GFADRO O=C(NCC[NH+]1CCCCC1)c1cnn(-c2ccc(Br)cc2)c1 ZINC000044529509 654659201 /nfs/dbraw/zinc/65/92/01/654659201.db2.gz QJHSDMZPCQDQNS-UHFFFAOYSA-N 1 0 377.286 2.851 20 0 GFADRO O=S1(=O)CC[C@H](C[NH2+]Cc2cc(Cl)ccc2OCc2cccnc2)C1 ZINC000046836307 654686728 /nfs/dbraw/zinc/68/67/28/654686728.db2.gz NDJGFZNPTSBNNE-OAHLLOKOSA-N 1 0 380.897 2.838 20 0 GFADRO C[NH+](C)[C@@H](CNS(=O)(=O)c1ccccc1Br)Cc1ccccc1 ZINC000047032499 654689221 /nfs/dbraw/zinc/68/92/21/654689221.db2.gz WUWNECZBEQSWQE-OAHLLOKOSA-N 1 0 397.338 2.900 20 0 GFADRO O=C(NCc1cc(Br)cs1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000047041365 654689622 /nfs/dbraw/zinc/68/96/22/654689622.db2.gz IVLHOADKASXPKJ-UHFFFAOYSA-N 1 0 381.299 2.937 20 0 GFADRO C[NH+]1CCN(Cc2ccc(CNS(=O)(=O)c3ccc(Cl)s3)cc2)CC1 ZINC000047280797 654691960 /nfs/dbraw/zinc/69/19/60/654691960.db2.gz RQPZHQMOLVUSQI-UHFFFAOYSA-N 1 0 399.969 2.627 20 0 GFADRO C[NH+](C)Cc1cccc(NC(=O)CNC(=O)c2cccc(Br)c2)c1 ZINC000047538554 654697074 /nfs/dbraw/zinc/69/70/74/654697074.db2.gz YDWRYMRDFWSVGS-UHFFFAOYSA-N 1 0 390.281 2.879 20 0 GFADRO CC(C)[NH+](CCNC(=O)C(=O)Nc1ccc(Br)cc1F)C(C)C ZINC000048693228 654711512 /nfs/dbraw/zinc/71/15/12/654711512.db2.gz QPXLILUCVXEPLN-UHFFFAOYSA-N 1 0 388.281 2.762 20 0 GFADRO O=C(c1c(Br)nc2n1CCCC2)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000837403359 660993905 /nfs/dbraw/zinc/99/39/05/660993905.db2.gz DKZNLTWRZXSNAU-CYBMUJFWSA-N 1 0 381.318 2.682 20 0 GFADRO C[C@@H]1C[N@@H+](CCCNC(=O)CCc2ccccc2Br)C[C@H](C)O1 ZINC000051353260 654723423 /nfs/dbraw/zinc/72/34/23/654723423.db2.gz VETSZPWAVREIFP-GASCZTMLSA-N 1 0 383.330 2.997 20 0 GFADRO O=C(NCC1CC1)[C@H]1CCC[N@@H+](Cc2cn3cc(Br)ccc3n2)C1 ZINC000051908972 654730585 /nfs/dbraw/zinc/73/05/85/654730585.db2.gz FEQCCZYPABOYIA-AWEZNQCLSA-N 1 0 391.313 2.835 20 0 GFADRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)c1c(Br)nc2n1CCCC2 ZINC000837438912 660996827 /nfs/dbraw/zinc/99/68/27/660996827.db2.gz FKBGSJJAHSBXDK-CYBMUJFWSA-N 1 0 383.334 2.928 20 0 GFADRO C[C@@H](NC(=O)N[C@@H]1CCC[N@H+](C)C1)c1cc2c(cc1Br)OCCO2 ZINC000052554393 654736827 /nfs/dbraw/zinc/73/68/27/654736827.db2.gz UULVOIVUUCTXFT-VXGBXAGGSA-N 1 0 398.301 2.675 20 0 GFADRO CC(C)[C@H](CNC(=O)NCC[C@@]1(C)CC1(Cl)Cl)[NH+]1CCN(C)CC1 ZINC000837443373 660997560 /nfs/dbraw/zinc/99/75/60/660997560.db2.gz MYDOUJKZLBWSMN-HOCLYGCPSA-N 1 0 379.376 2.532 20 0 GFADRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)Cc2cccc(I)c2)C1 ZINC000122873668 654745401 /nfs/dbraw/zinc/74/54/01/654745401.db2.gz GXTZHWQBOSZXSE-GJZGRUSLSA-N 1 0 386.277 2.823 20 0 GFADRO CN(C)C(=O)C1CC[NH+](C[C@@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000053398927 654745801 /nfs/dbraw/zinc/74/58/01/654745801.db2.gz WMQYZHJLXFNUSO-CQSZACIVSA-N 1 0 375.296 2.533 20 0 GFADRO CN(CC(=O)NCC1([NH+]2CCSCC2)CCCC1)c1ccc(Cl)cn1 ZINC000053501396 654747734 /nfs/dbraw/zinc/74/77/34/654747734.db2.gz HPJPHNKHEVNGCT-UHFFFAOYSA-N 1 0 382.961 2.649 20 0 GFADRO C[C@H]1C[C@H](N(C)C(=O)c2cc(Br)c3c(c2)OCCO3)CC[N@@H+]1C ZINC000123240330 654754046 /nfs/dbraw/zinc/75/40/46/654754046.db2.gz UFHSRAJROKQDMU-WCQYABFASA-N 1 0 383.286 2.775 20 0 GFADRO CCC(=O)N[C@@H](CCSC)C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000054060899 654755471 /nfs/dbraw/zinc/75/54/71/654755471.db2.gz TXDGUISZQRPGEK-LSDHHAIUSA-N 1 0 383.583 2.649 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000123765327 654762885 /nfs/dbraw/zinc/76/28/85/654762885.db2.gz LIKYYUAHBHLWFY-UHFFFAOYSA-N 1 0 383.334 2.905 20 0 GFADRO Cc1nc(C)c(C[NH2+]C2CCN(S(=O)(=O)Cc3ccccc3)CC2)s1 ZINC000123816795 654764635 /nfs/dbraw/zinc/76/46/35/654764635.db2.gz OVURFYKVDKMXJH-UHFFFAOYSA-N 1 0 379.551 2.844 20 0 GFADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CCOc2ccccc2Br)C1 ZINC000055037255 654767676 /nfs/dbraw/zinc/76/76/76/654767676.db2.gz JAIFYJANOYAESL-OAHLLOKOSA-N 1 0 399.329 2.691 20 0 GFADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)NC[C@H]1CCCO1 ZINC000055087526 654768824 /nfs/dbraw/zinc/76/88/24/654768824.db2.gz PEKPYWZWKIPLNJ-MRXNPFEDSA-N 1 0 384.318 2.701 20 0 GFADRO CC(C)[NH+]1CCC(NC(=O)[C@H]2CCCN2C(=O)c2ccc(Cl)s2)CC1 ZINC000055157618 654769494 /nfs/dbraw/zinc/76/94/94/654769494.db2.gz QDYKBWRTNHHZKB-CQSZACIVSA-N 1 0 383.945 2.995 20 0 GFADRO Cc1sc(C(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1CS(C)(=O)=O ZINC000124498318 654776659 /nfs/dbraw/zinc/77/66/59/654776659.db2.gz SRGMVYYYUDTVBM-OKILXGFUSA-N 1 0 386.583 2.699 20 0 GFADRO Nc1ccc(C(=O)O[C@H]2CC[N@H+](Cc3ccccc3)C2)nc1Br ZINC000837611803 661007824 /nfs/dbraw/zinc/00/78/24/661007824.db2.gz DIDZQDUSCDGVDU-ZDUSSCGKSA-N 1 0 376.254 2.858 20 0 GFADRO CSCC[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)NCC[NH+](C)C ZINC000125525048 654796657 /nfs/dbraw/zinc/79/66/57/654796657.db2.gz KTXGHPPVAYOIAZ-AWEZNQCLSA-N 1 0 392.352 2.523 20 0 GFADRO O=C(Nc1ccc(Cl)nc1)C(=O)NC1CC[NH+](Cc2ccsc2)CC1 ZINC000125878950 654804137 /nfs/dbraw/zinc/80/41/37/654804137.db2.gz GJKXHCOOYGTAFH-UHFFFAOYSA-N 1 0 378.885 2.516 20 0 GFADRO COc1cc(Br)ccc1C(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000125946373 654805842 /nfs/dbraw/zinc/80/58/42/654805842.db2.gz HVUXAUGDTCZLDY-CHWSQXEVSA-N 1 0 385.302 2.687 20 0 GFADRO C[NH+](C)CCN1CCN(C(=O)c2csc(-c3ccc(Cl)s3)n2)CC1 ZINC000057384580 654806497 /nfs/dbraw/zinc/80/64/97/654806497.db2.gz QXISLSHGDRRIKM-UHFFFAOYSA-N 1 0 384.958 2.844 20 0 GFADRO C[C@@H](CNC(=O)[C@]12CCC(=O)N1c1cc(Cl)ccc1S2)[N@H+](C)C1CC1 ZINC000057700883 654808291 /nfs/dbraw/zinc/80/82/91/654808291.db2.gz BRZISILBIRATFZ-BBATYDOGSA-N 1 0 379.913 2.868 20 0 GFADRO Cc1c(C(=O)NC[C@H](C)[N@H+](C)C2CC2)nnn1-c1cccc(Br)c1 ZINC000057702733 654808515 /nfs/dbraw/zinc/80/85/15/654808515.db2.gz BMUNILWHQOURJM-NSHDSACASA-N 1 0 392.301 2.551 20 0 GFADRO O=C(NCc1ccc(O)c(Br)c1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000126259253 654811689 /nfs/dbraw/zinc/81/16/89/654811689.db2.gz YZDHHOWQNXTGBE-CQSZACIVSA-N 1 0 382.302 2.782 20 0 GFADRO C[C@H](CNS(=O)(=O)c1ccccc1OC(F)(F)F)[N@@H+]1CCC[C@H](C)C1 ZINC000058178708 654816114 /nfs/dbraw/zinc/81/61/14/654816114.db2.gz YLTHVEYEWLYKSY-QWHCGFSZSA-N 1 0 380.432 2.984 20 0 GFADRO O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000060113438 654826534 /nfs/dbraw/zinc/82/65/34/654826534.db2.gz YYSGWNUDGYDLBW-CYBMUJFWSA-N 1 0 378.416 2.834 20 0 GFADRO COCC[NH+]1CCC(NC(=O)[C@@H](C)Cc2ccc(Br)cc2)CC1 ZINC000127361426 654827526 /nfs/dbraw/zinc/82/75/26/654827526.db2.gz HGCNXSRHRXVKGV-AWEZNQCLSA-N 1 0 383.330 2.855 20 0 GFADRO Cc1ccc(S(=O)(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)c(Cl)c1 ZINC000127423005 654829564 /nfs/dbraw/zinc/82/95/64/654829564.db2.gz NXGKZWXUFMSGRZ-SJORKVTESA-N 1 0 386.945 2.695 20 0 GFADRO Cc1ccc(CN(CC[NH+](C)C)S(=O)(=O)c2c(F)cc(F)cc2F)o1 ZINC000060506982 654830951 /nfs/dbraw/zinc/83/09/51/654830951.db2.gz WZOHFJZANXJBOQ-UHFFFAOYSA-N 1 0 376.400 2.758 20 0 GFADRO C[C@@H]1C[N@@H+](CCCNC(=O)NCc2sccc2Br)C[C@H](C)O1 ZINC000060591674 654831974 /nfs/dbraw/zinc/83/19/74/654831974.db2.gz AQJAETQMYNOOQK-TXEJJXNPSA-N 1 0 390.347 2.809 20 0 GFADRO CCCn1nc(C)c(C[NH2+]CCNS(=O)(=O)c2ccc(Cl)s2)c1C ZINC000127835496 654835415 /nfs/dbraw/zinc/83/54/15/654835415.db2.gz RCVYPNVEOSVIPG-UHFFFAOYSA-N 1 0 390.962 2.693 20 0 GFADRO CC(C)(C)[NH2+]CCNC(=O)C(=O)Nc1ccc(Cl)c(Br)c1 ZINC000128041020 654840421 /nfs/dbraw/zinc/84/04/21/654840421.db2.gz JXHJAVSQSKNYTM-UHFFFAOYSA-N 1 0 376.682 2.545 20 0 GFADRO O=S(=O)(c1ccc(Br)cc1Cl)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000061858315 654843035 /nfs/dbraw/zinc/84/30/35/654843035.db2.gz RUCQWMKHQYNAKM-GFCCVEGCSA-N 1 0 393.734 2.961 20 0 GFADRO CCC[NH+]1CCC(CNC(=O)C(=O)Nc2ccc(Br)c(C)c2)CC1 ZINC000128609932 654848485 /nfs/dbraw/zinc/84/84/85/654848485.db2.gz GHKGDQKRANFDOS-UHFFFAOYSA-N 1 0 396.329 2.934 20 0 GFADRO Cc1c(C(=O)NCC[N@@H+](C)C2CC2)cnn1-c1ccc(Br)cc1 ZINC000063117107 654848948 /nfs/dbraw/zinc/84/89/48/654848948.db2.gz KAOWVQFNJJRTRP-UHFFFAOYSA-N 1 0 377.286 2.767 20 0 GFADRO CN1C[C@H](C(=O)N(CCC[NH+](C)C)Cc2ccc(Cl)c(Cl)c2)CC1=O ZINC000063118773 654849296 /nfs/dbraw/zinc/84/92/96/654849296.db2.gz SJOFMBPJKQTDEC-CQSZACIVSA-N 1 0 386.323 2.752 20 0 GFADRO CC(C)[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000063618482 654855190 /nfs/dbraw/zinc/85/51/90/654855190.db2.gz DXOZOXVAYPFVEL-HNNXBMFYSA-N 1 0 387.933 2.649 20 0 GFADRO Cc1ccc(Br)c(NC(=O)C(=O)NC[C@H](C(C)C)[NH+]2CCCC2)c1 ZINC000129092972 654856428 /nfs/dbraw/zinc/85/64/28/654856428.db2.gz YLLNANFPCKIFTO-MRXNPFEDSA-N 1 0 396.329 2.933 20 0 GFADRO C[C@H](CNC(=O)[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)[NH+]1CCCC1 ZINC000063732424 654856706 /nfs/dbraw/zinc/85/67/06/654856706.db2.gz OZACCAQHQREOMH-OCCSQVGLSA-N 1 0 384.307 2.947 20 0 GFADRO C[C@@H](CNC(=O)CCN1C(=S)N=NC1c1cccs1)C[NH+]1CCCC1 ZINC000063770019 654857526 /nfs/dbraw/zinc/85/75/26/654857526.db2.gz FJUXIXZTKQDIOW-ZDUSSCGKSA-N 1 0 379.555 2.534 20 0 GFADRO O=S(=O)(C[C@H](O)C[NH2+]Cc1ccc(-c2ccccc2)o1)c1cccs1 ZINC000129536787 654865923 /nfs/dbraw/zinc/86/59/23/654865923.db2.gz QSFHZZUDCGXDDS-OAHLLOKOSA-N 1 0 377.487 2.933 20 0 GFADRO Cc1c(C(=O)NC[C@H]2CCC[NH2+]C2)cnn1-c1ccc(Br)cc1 ZINC000129939606 654878133 /nfs/dbraw/zinc/87/81/33/654878133.db2.gz ZYYGFRRUDYDYPC-ZDUSSCGKSA-N 1 0 377.286 2.673 20 0 GFADRO C[C@H]([NH2+]CC1CCN(S(C)(=O)=O)CC1)c1ccc(F)cc1Br ZINC000130214671 654884072 /nfs/dbraw/zinc/88/40/72/654884072.db2.gz LJPSQBUSCGBFRV-NSHDSACASA-N 1 0 393.322 2.910 20 0 GFADRO C[C@@H](NC(=O)C[C@@H]1CC[NH2+]C1)c1nc(-c2ccc(Br)cc2)no1 ZINC000130253673 654885861 /nfs/dbraw/zinc/88/58/61/654885861.db2.gz PDSGVQIUEUFMQB-MNOVXSKESA-N 1 0 379.258 2.676 20 0 GFADRO CCC[NH+]1CCC(CNC(=O)NC[C@@H](O)c2ccccc2Br)CC1 ZINC000838090813 661027974 /nfs/dbraw/zinc/02/79/74/661027974.db2.gz ROBXCHBPEMLKHV-QGZVFWFLSA-N 1 0 398.345 2.904 20 0 GFADRO Cc1ccc(S(=O)(=O)NCC[NH2+]Cc2ccc(Br)s2)cc1 ZINC000065977246 654891839 /nfs/dbraw/zinc/89/18/39/654891839.db2.gz XWQLLHVNKZJHNX-UHFFFAOYSA-N 1 0 389.340 2.887 20 0 GFADRO CC[C@H](C)[N@H+](C)CCNC(=O)NCc1cc2c(c(Br)c1)OCO2 ZINC000066189594 654896404 /nfs/dbraw/zinc/89/64/04/654896404.db2.gz YUYZVPZFXCAQAK-NSHDSACASA-N 1 0 386.290 2.707 20 0 GFADRO O=C(NCc1csc(Br)c1)N1CC[NH+](C2CCOCC2)CC1 ZINC000266978874 654902155 /nfs/dbraw/zinc/90/21/55/654902155.db2.gz LFQVHDJKBOXWKY-UHFFFAOYSA-N 1 0 388.331 2.517 20 0 GFADRO C[C@]1(C(=O)N2CCC([NH+]3CCC3)CC2)CC1(Br)Br ZINC000912871306 664306670 /nfs/dbraw/zinc/30/66/70/664306670.db2.gz QWHQAHGIQDHKCO-GFCCVEGCSA-N 1 0 380.124 2.579 20 0 GFADRO Cc1sc(C(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)cc1CS(C)(=O)=O ZINC000131497693 654908671 /nfs/dbraw/zinc/90/86/71/654908671.db2.gz YPDQOYHTPKGCSY-HNNXBMFYSA-N 1 0 384.567 2.549 20 0 GFADRO Brc1ccc(CN2CC[NH+](CCC3OCCCO3)CC2)s1 ZINC000267094599 654910395 /nfs/dbraw/zinc/91/03/95/654910395.db2.gz VWZXSQJPYGXKSJ-UHFFFAOYSA-N 1 0 375.332 2.781 20 0 GFADRO C[N@@H+]1CCC[C@@H](CNC(=O)CNC(=O)c2cccs2)[C@@H]1c1cccs1 ZINC000131638538 654912320 /nfs/dbraw/zinc/91/23/20/654912320.db2.gz YDVYOKJQQNIRSV-SUMWQHHRSA-N 1 0 377.535 2.739 20 0 GFADRO Brc1cc(C[NH2+]Cc2cnc3cnccn23)cc2c1OCCO2 ZINC000267155749 654914137 /nfs/dbraw/zinc/91/41/37/654914137.db2.gz XQWMGKBPRDIFHN-UHFFFAOYSA-N 1 0 375.226 2.553 20 0 GFADRO COc1cc(CN(C)C(=O)NC[C@@]2([NH+](C)C)CCSC2)ccc1SC ZINC000267163194 654914464 /nfs/dbraw/zinc/91/44/64/654914464.db2.gz JSNCIHJLSSERHV-SFHVURJKSA-N 1 0 383.583 2.996 20 0 GFADRO CCOc1cc(C[NH2+]C[C@@H]2CCCS2(=O)=O)cc(Br)c1OC ZINC000131762246 654916979 /nfs/dbraw/zinc/91/69/79/654916979.db2.gz UIVWMZCAMFXQMG-LBPRGKRZSA-N 1 0 392.315 2.523 20 0 GFADRO C[NH+](C)CCCOC1CCN(c2ccccc2S(=O)(=O)C(F)F)CC1 ZINC000267203685 654917159 /nfs/dbraw/zinc/91/71/59/654917159.db2.gz PCIKODFYRUFJBH-UHFFFAOYSA-N 1 0 376.469 2.620 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2ccc(NC(C)=O)c(Cl)c2)[C@H](C)C1 ZINC000267250601 654920223 /nfs/dbraw/zinc/92/02/23/654920223.db2.gz UVERWMRBVXBVSF-SJKOYZFVSA-N 1 0 387.933 2.649 20 0 GFADRO NC(=O)c1csc(C[NH2+]C[C@@H](c2ccc(Cl)cc2)N2CCOCC2)c1 ZINC000131883043 654920350 /nfs/dbraw/zinc/92/03/50/654920350.db2.gz XZSCZVVIPHTIQJ-KRWDZBQOSA-N 1 0 379.913 2.664 20 0 GFADRO C[N@@H+](Cc1cc(Br)cs1)C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000267385434 654926450 /nfs/dbraw/zinc/92/64/50/654926450.db2.gz VGWNNXOMHDCQDJ-LLVKDONJSA-N 1 0 381.361 2.614 20 0 GFADRO C[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)C1 ZINC000067044576 654927323 /nfs/dbraw/zinc/92/73/23/654927323.db2.gz PJYOPCPZMXLVKA-UONOGXRCSA-N 1 0 384.307 2.899 20 0 GFADRO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)NCC1CC[NH+](C)CC1 ZINC000132208437 654929251 /nfs/dbraw/zinc/92/92/51/654929251.db2.gz DBCRXNRHWFZJJZ-UHFFFAOYSA-N 1 0 393.281 2.936 20 0 GFADRO Cc1ccc(NC(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)cc1Br ZINC000267475603 654930306 /nfs/dbraw/zinc/93/03/06/654930306.db2.gz WHXKBSROOVKMAG-CQSZACIVSA-N 1 0 382.302 2.944 20 0 GFADRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)c2occc2Br)CC1 ZINC000267562257 654935102 /nfs/dbraw/zinc/93/51/02/654935102.db2.gz GUIVDLZFIPZNOC-KBPBESRZSA-N 1 0 384.318 2.673 20 0 GFADRO CC[NH+]1CCN(Cc2ccccc2CNc2ncc(Br)cn2)CC1 ZINC000067350840 654936472 /nfs/dbraw/zinc/93/64/72/654936472.db2.gz OCVFFGNYQXJCTH-UHFFFAOYSA-N 1 0 390.329 2.989 20 0 GFADRO Cn1cc(Br)cc(NC(=O)N2CCC([NH+]3CCCCC3)CC2)c1=O ZINC000267681932 654941933 /nfs/dbraw/zinc/94/19/33/654941933.db2.gz WXGKXGXPSFAREK-UHFFFAOYSA-N 1 0 397.317 2.630 20 0 GFADRO O=C(Cc1cccc(Cl)c1)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000067911756 654947807 /nfs/dbraw/zinc/94/78/07/654947807.db2.gz HYMXSSJOKBBLDR-UHFFFAOYSA-N 1 0 378.822 2.996 20 0 GFADRO CN1CC[NH+](CCCCNC(=O)Cc2csc(-c3cccs3)n2)CC1 ZINC000068080379 654953736 /nfs/dbraw/zinc/95/37/36/654953736.db2.gz WTMCFMIZNZDKRE-UHFFFAOYSA-N 1 0 378.567 2.558 20 0 GFADRO Cc1cc(Br)ccc1S(=O)(=O)N(C)CC1CC[NH+](C)CC1 ZINC000133313717 654960206 /nfs/dbraw/zinc/96/02/06/654960206.db2.gz RUAHQBMATPNISK-UHFFFAOYSA-N 1 0 375.332 2.720 20 0 GFADRO Cc1ccc(I)c(C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@H]2C)c1 ZINC000268166070 654961561 /nfs/dbraw/zinc/96/15/61/654961561.db2.gz DMEYXNSNUSDZKV-IAQYHMDHSA-N 1 0 384.261 2.812 20 0 GFADRO CC[NH+]1CCN([C@H](C)CNC(=O)[C@@H]2C[C@@H]2c2ccc(Br)cc2)CC1 ZINC000133366860 654962159 /nfs/dbraw/zinc/96/21/59/654962159.db2.gz OJMNZKHRCDRSHR-ZTFGCOKTSA-N 1 0 394.357 2.695 20 0 GFADRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)c2cc(Cl)c(Cl)n2C)CC1 ZINC000133575098 654967869 /nfs/dbraw/zinc/96/78/69/654967869.db2.gz DPKIQRSWIKFJQO-OKILXGFUSA-N 1 0 387.355 2.963 20 0 GFADRO CCS(=O)(=O)NCCC[N@@H+]1CCC[C@@H]1c1ccccc1Br ZINC000133613703 654968598 /nfs/dbraw/zinc/96/85/98/654968598.db2.gz PJVIEFAQBZYHBM-OAHLLOKOSA-N 1 0 375.332 2.915 20 0 GFADRO COc1cccc([C@@H](C[NH2+][C@H](C)Cn2cc(Br)cn2)N(C)C)c1 ZINC000133685935 654970792 /nfs/dbraw/zinc/97/07/92/654970792.db2.gz REHFHNQMDQWLQD-CXAGYDPISA-N 1 0 381.318 2.935 20 0 GFADRO CN(C)C(=O)CCN1CC[NH+](CC/C=C/c2ccc(Br)cc2)CC1 ZINC000268482896 654974216 /nfs/dbraw/zinc/97/42/16/654974216.db2.gz OJDFPJMSRUGHFI-HWKANZROSA-N 1 0 394.357 2.948 20 0 GFADRO Cc1cc(C(=O)NC[C@H](C(C)C)[NH+]2CCN(C)CC2)c(Br)s1 ZINC000268503074 654975379 /nfs/dbraw/zinc/97/53/79/654975379.db2.gz PKDBSJSCJDXAOY-CQSZACIVSA-N 1 0 388.375 2.821 20 0 GFADRO CC[NH+](CC)CCN(Cc1cccs1)C(=O)CSc1cccc[n+]1[O-] ZINC000268571770 654978414 /nfs/dbraw/zinc/97/84/14/654978414.db2.gz XWZOWSQMEIIICG-UHFFFAOYSA-N 1 0 379.551 2.844 20 0 GFADRO C[N@H+](CC(=O)N[C@@H]1CCN(c2ccc(Br)cc2)C1)[C@@H]1CCSC1 ZINC000133951467 654978606 /nfs/dbraw/zinc/97/86/06/654978606.db2.gz PZROUNPSIXRSBU-GDBMZVCRSA-N 1 0 398.370 2.581 20 0 GFADRO Cc1c([C@H](C)[NH2+]CCn2ccnc2)nnn1-c1cccc(Br)c1 ZINC000268699979 654983402 /nfs/dbraw/zinc/98/34/02/654983402.db2.gz AXBGSMRGXOLESU-LBPRGKRZSA-N 1 0 375.274 2.886 20 0 GFADRO OC1CC[NH+](Cc2ccc(CNc3ncncc3Br)cc2)CC1 ZINC000268807307 654987398 /nfs/dbraw/zinc/98/73/98/654987398.db2.gz LFBQRLFSYMWKSG-UHFFFAOYSA-N 1 0 377.286 2.808 20 0 GFADRO NC(=O)[C@@H]1CCCN1CCC[NH2+][C@H]1CCCOc2ccc(Br)cc21 ZINC000268945638 654992282 /nfs/dbraw/zinc/99/22/82/654992282.db2.gz UFNQXEBZNXERQX-HOTGVXAUSA-N 1 0 396.329 2.592 20 0 GFADRO Cc1c([C@H](C)[NH2+][C@@H]2CCC(=O)N(C)C2)nnn1-c1cccc(Br)c1 ZINC000269030923 654995776 /nfs/dbraw/zinc/99/57/76/654995776.db2.gz SCBBEXWCYVDSTD-SMDDNHRTSA-N 1 0 392.301 2.610 20 0 GFADRO CC(C)[NH+]1CCC(NC(=O)NCCOc2ncc(Cl)cc2Cl)CC1 ZINC000134606777 654997398 /nfs/dbraw/zinc/99/73/98/654997398.db2.gz DSMKCHFROQUJJZ-UHFFFAOYSA-N 1 0 375.300 2.939 20 0 GFADRO CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)C[C@H]1C[NH2+]CCO1 ZINC000269186042 655000855 /nfs/dbraw/zinc/00/08/55/655000855.db2.gz HJROJKOGAIWZOH-ZDUSSCGKSA-N 1 0 388.295 2.549 20 0 GFADRO Cc1c(C(=O)N2CC[C@H]([NH3+])[C@H](C)C2)cnn1-c1ccc(Br)cc1 ZINC000269218545 655001916 /nfs/dbraw/zinc/00/19/16/655001916.db2.gz QJMYZOSARRTJKI-BZNIZROVSA-N 1 0 377.286 2.753 20 0 GFADRO C[C@H](NC(=O)c1nn(-c2ccc(F)cc2)cc1Br)[C@@H]1CCC[NH2+]C1 ZINC000269219050 655002147 /nfs/dbraw/zinc/00/21/47/655002147.db2.gz RQUWXZUHCIFOLA-NWDGAFQWSA-N 1 0 395.276 2.892 20 0 GFADRO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000269221379 655002210 /nfs/dbraw/zinc/00/22/10/655002210.db2.gz SJIKMZOVUPYPGO-RYUDHWBXSA-N 1 0 393.281 2.982 20 0 GFADRO CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2c(C)cc(C)cc2Br)C1 ZINC000269272219 655003940 /nfs/dbraw/zinc/00/39/40/655003940.db2.gz MCXCAEMPGKZQCP-CQSZACIVSA-N 1 0 396.329 2.853 20 0 GFADRO CC(C)[NH+]1CCC(N2CCN(C(=O)c3ccc(Br)o3)CC2)CC1 ZINC000269361690 655006838 /nfs/dbraw/zinc/00/68/38/655006838.db2.gz JOUNYCXPURETSF-UHFFFAOYSA-N 1 0 384.318 2.673 20 0 GFADRO O=C(Cc1ccccc1I)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000269390779 655008268 /nfs/dbraw/zinc/00/82/68/655008268.db2.gz RJQOKICMXSGBTK-CABCVRRESA-N 1 0 384.261 2.577 20 0 GFADRO CS(=O)(=O)NCC[C@H]1CCCC[N@@H+]1CCOc1ccc(F)cc1Cl ZINC000091733127 655009464 /nfs/dbraw/zinc/00/94/64/655009464.db2.gz MAPZUAHKKDWPOT-CQSZACIVSA-N 1 0 378.897 2.652 20 0 GFADRO O=C(Nc1ccc(Br)cn1)C1CC[NH+](Cc2ccc(CO)o2)CC1 ZINC000091843415 655010572 /nfs/dbraw/zinc/01/05/72/655010572.db2.gz BSVXTRNJBWKICL-UHFFFAOYSA-N 1 0 394.269 2.780 20 0 GFADRO COC(=O)[C@H](O)C1CC[NH+](CCC(=O)Nc2c(Cl)cccc2Cl)CC1 ZINC000135344401 655013910 /nfs/dbraw/zinc/01/39/10/655013910.db2.gz PWQWFXVVDMKMGK-MRXNPFEDSA-N 1 0 389.279 2.568 20 0 GFADRO C[C@H](C[NH+]1CCC(N(C)S(C)(=O)=O)CC1)c1cccc(Br)c1 ZINC000092530624 655014370 /nfs/dbraw/zinc/01/43/70/655014370.db2.gz PPMWGNQKQUKBMQ-CYBMUJFWSA-N 1 0 389.359 2.908 20 0 GFADRO CC[NH+](CC)CC(=O)N1CCN(Cc2cnc(-c3cccs3)s2)CC1 ZINC000093045934 655016738 /nfs/dbraw/zinc/01/67/38/655016738.db2.gz IDLZTTPLJOTIOH-UHFFFAOYSA-N 1 0 378.567 2.858 20 0 GFADRO CCN(C1CC[NH+](Cc2ccc(OCC(F)F)cc2)CC1)S(C)(=O)=O ZINC000093320591 655018343 /nfs/dbraw/zinc/01/83/43/655018343.db2.gz VDAIAAIBQYTIAW-UHFFFAOYSA-N 1 0 376.469 2.576 20 0 GFADRO O=S(=O)(c1c[nH]c2nccc(Cl)c12)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000093921449 655023906 /nfs/dbraw/zinc/02/39/06/655023906.db2.gz UWKPZIUYEFFLJT-ZDUSSCGKSA-N 1 0 382.917 2.713 20 0 GFADRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1cnn2cc(Br)cnc12 ZINC000094041208 655026447 /nfs/dbraw/zinc/02/64/47/655026447.db2.gz JDHIXJKRXVHYOY-FRRDWIJNSA-N 1 0 394.317 2.588 20 0 GFADRO CC1CC[NH+](CC(=O)NC[C@@H](O)COc2cccc(Cl)c2Cl)CC1 ZINC000136215938 655028788 /nfs/dbraw/zinc/02/87/88/655028788.db2.gz UDMSTNSFBRBSRL-CYBMUJFWSA-N 1 0 375.296 2.581 20 0 GFADRO Cc1ccc(C(=O)N(C)CC[N@H+](C)C2CCN(C)CC2)c(Br)c1 ZINC000270013199 655031281 /nfs/dbraw/zinc/03/12/81/655031281.db2.gz UYSSWSWMARHCBA-UHFFFAOYSA-N 1 0 382.346 2.856 20 0 GFADRO C[NH+](C)CCn1cc(NC(=O)c2ccc(F)cc2Br)ccc1=O ZINC000270073826 655033169 /nfs/dbraw/zinc/03/31/69/655033169.db2.gz HHBDAHHAGOVFGJ-UHFFFAOYSA-N 1 0 382.233 2.564 20 0 GFADRO COC[C@H]([NH2+][C@H](C)C(=O)Nc1cccc(I)c1)C1CC1 ZINC000136615854 655033816 /nfs/dbraw/zinc/03/38/16/655033816.db2.gz LYMMHNRCPQBZMU-YGRLFVJLSA-N 1 0 388.249 2.633 20 0 GFADRO C[C@@H]1C[N@@H+](CC2CCN(C(=O)c3cccc(Br)n3)CC2)C[C@H](C)O1 ZINC000136848898 655036110 /nfs/dbraw/zinc/03/61/10/655036110.db2.gz YZCHRAZTNIPFBZ-OKILXGFUSA-N 1 0 396.329 2.806 20 0 GFADRO CC(=O)c1ccc(Cl)c(S(=O)(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)c1 ZINC000270194949 655036863 /nfs/dbraw/zinc/03/68/63/655036863.db2.gz IEONGJBOXDZWKK-MRXNPFEDSA-N 1 0 384.929 2.895 20 0 GFADRO C[C@H]1C[NH+](CCCNC(=O)Cc2cc(Br)ccc2F)C[C@H](C)O1 ZINC000137121198 655038087 /nfs/dbraw/zinc/03/80/87/655038087.db2.gz XQXFFLICDLPKPJ-STQMWFEESA-N 1 0 387.293 2.746 20 0 GFADRO CC(C)OCCOC[C@H](O)C[N@H+](C)C[C@H](O)c1ccc(Cl)cc1Cl ZINC000270344568 655041715 /nfs/dbraw/zinc/04/17/15/655041715.db2.gz RRUHIUPJIWEMLF-PBHICJAKSA-N 1 0 380.312 2.761 20 0 GFADRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)c1cncc(I)c1 ZINC000270470832 655045869 /nfs/dbraw/zinc/04/58/69/655045869.db2.gz VIBCUEVCFAYDRB-CQSZACIVSA-N 1 0 387.265 2.633 20 0 GFADRO CC[NH+](CC)CCNC(=O)N1CCO[C@H](c2ccccc2Br)C1 ZINC000101766096 655047198 /nfs/dbraw/zinc/04/71/98/655047198.db2.gz UMVCRRLNZHGCEU-INIZCTEOSA-N 1 0 384.318 2.874 20 0 GFADRO CC[N@H+](CCNC(=O)NC[C@H](O)COc1cccc(Cl)c1Cl)C1CC1 ZINC000102064427 655050331 /nfs/dbraw/zinc/05/03/31/655050331.db2.gz BLEGFADZUYZJLD-ZDUSSCGKSA-N 1 0 390.311 2.517 20 0 GFADRO C[C@@H](NC(=O)[C@@H]1CSCCS1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000102609482 655056314 /nfs/dbraw/zinc/05/63/14/655056314.db2.gz BDMRTPVOVCWFKM-DYVFJYSZSA-N 1 0 383.558 2.603 20 0 GFADRO C[C@H]1C[NH+](CC2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)C[C@H](C)O1 ZINC000102661119 655057348 /nfs/dbraw/zinc/05/73/48/655057348.db2.gz OHLWWQVEIMBJFA-GJZGRUSLSA-N 1 0 386.945 2.850 20 0 GFADRO C[NH+](C)CCOc1ccc(CNS(=O)(=O)Cc2ccccc2Cl)cc1 ZINC000102776043 655060837 /nfs/dbraw/zinc/06/08/37/655060837.db2.gz QMSDJNZJRVPTTG-UHFFFAOYSA-N 1 0 382.913 2.900 20 0 GFADRO CC(C)[NH+]1CCN(Cc2csc(-c3ccc(S(C)(=O)=O)cc3)n2)CC1 ZINC000102923300 655063674 /nfs/dbraw/zinc/06/36/74/655063674.db2.gz JSTHIUZOXLEVAZ-UHFFFAOYSA-N 1 0 379.551 2.740 20 0 GFADRO CS[C@H]1CN(C(=O)CCC(=O)CCC(=O)c2cccs2)C[C@H]1[NH+](C)C ZINC000271114609 655067141 /nfs/dbraw/zinc/06/71/41/655067141.db2.gz JOWNKVRLHBDIRH-PBHICJAKSA-N 1 0 382.551 2.564 20 0 GFADRO CC[NH+](CC)CCNC(=O)CSc1nnc(-c2cccs2)n1C1CC1 ZINC000103205460 655069074 /nfs/dbraw/zinc/06/90/74/655069074.db2.gz JTQPNUTTZJIMGT-UHFFFAOYSA-N 1 0 379.555 2.892 20 0 GFADRO CN1CC[NH+](CCCCNC(=O)NCCc2cc(Cl)cc(Cl)c2)CC1 ZINC000103514457 655074138 /nfs/dbraw/zinc/07/41/38/655074138.db2.gz FMCOTKNDLQNYFO-UHFFFAOYSA-N 1 0 387.355 2.863 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)N(C)CC1CC[NH+](C)CC1 ZINC000103633200 655074791 /nfs/dbraw/zinc/07/47/91/655074791.db2.gz LYXFKFAHQLYVRM-UHFFFAOYSA-N 1 0 396.329 2.805 20 0 GFADRO Cc1c(C(=O)NC[C@H]2CC[N@@H+](C)C2)cnn1-c1ccc(Br)cc1 ZINC000104188744 655079489 /nfs/dbraw/zinc/07/94/89/655079489.db2.gz BWAJVPDLWIMXLA-CYBMUJFWSA-N 1 0 377.286 2.625 20 0 GFADRO CC[C@@H]([NH2+]CCCN(C)S(=O)(=O)CC)c1cc(Br)ccc1O ZINC000155165876 655081730 /nfs/dbraw/zinc/08/17/30/655081730.db2.gz UZROQKSUQVWFOF-CQSZACIVSA-N 1 0 393.347 2.867 20 0 GFADRO COCc1nc2n(n1)C[C@@H]([NH2+][C@H]1CCc3c1cc(Br)cc3F)CC2 ZINC000271456815 655081964 /nfs/dbraw/zinc/08/19/64/655081964.db2.gz GVOBSFKMXJMCFH-NHYWBVRUSA-N 1 0 395.276 2.918 20 0 GFADRO CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@H]2CCOC3(CCSCC3)C2)c1 ZINC000271523986 655084139 /nfs/dbraw/zinc/08/41/39/655084139.db2.gz PURCKKIPGVXZBI-HOCLYGCPSA-N 1 0 384.567 2.690 20 0 GFADRO C[NH+]1CCC(CNC(=O)N[C@@H]2CCOc3ccc(Br)cc32)CC1 ZINC000105180453 655089498 /nfs/dbraw/zinc/08/94/98/655089498.db2.gz FYYCVEIAHCVZJW-OAHLLOKOSA-N 1 0 382.302 2.914 20 0 GFADRO [NH3+][C@H](Cc1ccccc1)C(=O)N1CCO[C@H](c2ccccc2Br)C1 ZINC000156174944 655090122 /nfs/dbraw/zinc/09/01/22/655090122.db2.gz COVAQALMAUAIPS-MSOLQXFVSA-N 1 0 389.293 2.919 20 0 GFADRO C[NH+](C)[C@H]1CCCN(C(=O)CCNC(=O)Nc2ccc(Br)cc2)C1 ZINC000105326057 655090766 /nfs/dbraw/zinc/09/07/66/655090766.db2.gz HSJBJTXTKNHFFK-HNNXBMFYSA-N 1 0 397.317 2.513 20 0 GFADRO C[NH+](C)[C@@H]1CCCN(C(=O)[C@]23CCC(=O)N2c2cc(Cl)ccc2S3)C1 ZINC000105328102 655090778 /nfs/dbraw/zinc/09/07/78/655090778.db2.gz RYVBWPVUVQLSEG-FZKQIMNGSA-N 1 0 379.913 2.821 20 0 GFADRO COC(=O)c1sccc1NC(=O)C[NH2+][C@@H](C)c1ccc([S@](C)=O)cc1 ZINC000271793358 655094914 /nfs/dbraw/zinc/09/49/14/655094914.db2.gz JPFKPTRELZLSDC-FTJNGKRUSA-N 1 0 380.491 2.561 20 0 GFADRO O=c1ccn(C[NH+]2CCN(CC(F)F)CC2)c2c(Br)cccc12 ZINC000105604576 655095820 /nfs/dbraw/zinc/09/58/20/655095820.db2.gz LRNWMDYSDLVXHV-UHFFFAOYSA-N 1 0 386.240 2.604 20 0 GFADRO O=S1(=O)CC[C@@]2(C1)C[C@H]([NH2+]Cc1cc(F)cc(C(F)(F)F)c1)CCO2 ZINC000271986715 655100259 /nfs/dbraw/zinc/10/02/59/655100259.db2.gz KLDHEXSUMLJIBA-CABCVRRESA-N 1 0 381.391 2.670 20 0 GFADRO COCCNc1nn(CN2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c(=S)s1 ZINC000157931498 655103482 /nfs/dbraw/zinc/10/34/82/655103482.db2.gz UIEVYHGOHDMPLM-HIFRSBDPSA-N 1 0 383.587 2.639 20 0 GFADRO CCOc1cc(Br)c(CC(=O)N2CC[C@@H]([C@@H](C)[NH3+])C2)cc1OCC ZINC000272217262 655106072 /nfs/dbraw/zinc/10/60/72/655106072.db2.gz IILVTUYWFOHSFF-CHWSQXEVSA-N 1 0 399.329 2.985 20 0 GFADRO O=S(=O)(N[C@@H]1CC[N@@H+](C2CCCC2)C1)c1ccc(OC(F)(F)F)cc1 ZINC000106891782 655113169 /nfs/dbraw/zinc/11/31/69/655113169.db2.gz YWCRDBMOAQGJFA-GFCCVEGCSA-N 1 0 378.416 2.880 20 0 GFADRO CC(C)[C@H](C(=O)NC[C@@H]1CCN(c2cccc(Br)c2)C1)[NH+](C)C ZINC000106910940 655114522 /nfs/dbraw/zinc/11/45/22/655114522.db2.gz OITGLYOJYLWGSV-WMLDXEAASA-N 1 0 382.346 2.978 20 0 GFADRO C[NH+]1CCN(c2ccc(NC(=O)c3cc(Cl)c(N)c(Cl)c3)cn2)CC1 ZINC000159479559 655114897 /nfs/dbraw/zinc/11/48/97/655114897.db2.gz UNAJNMKTDOTQKZ-UHFFFAOYSA-N 1 0 380.279 2.975 20 0 GFADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)Nc3ccc(Br)cc3F)C2)CC1 ZINC000106938026 655115557 /nfs/dbraw/zinc/11/55/57/655115557.db2.gz QFIBZVLUHXMEJU-CQSZACIVSA-N 1 0 399.308 2.832 20 0 GFADRO O=C(Nc1ccc(F)cc1Br)C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000106963163 655115852 /nfs/dbraw/zinc/11/58/52/655115852.db2.gz RZBQKGCNRZBFMS-GFCCVEGCSA-N 1 0 398.276 2.660 20 0 GFADRO O=C(Nc1cccc(Br)c1)C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000106963448 655116002 /nfs/dbraw/zinc/11/60/02/655116002.db2.gz MMVBJBSOBGDHME-CQSZACIVSA-N 1 0 380.286 2.521 20 0 GFADRO CCOc1ccc(Cl)cc1[C@@H](C)[NH2+]C1CCN(CCS(C)(=O)=O)CC1 ZINC000159927042 655117643 /nfs/dbraw/zinc/11/76/43/655117643.db2.gz DTWDZLVBQVVUME-CQSZACIVSA-N 1 0 388.961 2.898 20 0 GFADRO COc1cc(C(=O)N[C@H](C)C2=CC[N@H+](C)CC2)cc(OC)c1Br ZINC000272670130 655118641 /nfs/dbraw/zinc/11/86/41/655118641.db2.gz IOYXVDHCBUFTKY-LLVKDONJSA-N 1 0 383.286 2.847 20 0 GFADRO C[C@@H](NC(=O)Cc1cccc(I)c1)C1=CC[N@H+](C)CC1 ZINC000272670198 655118713 /nfs/dbraw/zinc/11/87/13/655118713.db2.gz ITKHZBCNPYFPRD-GFCCVEGCSA-N 1 0 384.261 2.600 20 0 GFADRO C[NH+](C)CCN(Cc1ccccn1)C(=O)Cc1cccc(Br)c1 ZINC000107262899 655119257 /nfs/dbraw/zinc/11/92/57/655119257.db2.gz BHNYXDLDKZMMBU-UHFFFAOYSA-N 1 0 376.298 2.977 20 0 GFADRO C[C@H](CNC(=O)c1csc(I)c1)C[NH+]1CCCC1 ZINC000107561706 655122245 /nfs/dbraw/zinc/12/22/45/655122245.db2.gz VTCUFSUHIMTPRG-SNVBAGLBSA-N 1 0 378.279 2.814 20 0 GFADRO O=C(CNC(=O)c1ccc(Cl)c(Cl)c1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000107601294 655122700 /nfs/dbraw/zinc/12/27/00/655122700.db2.gz VFVBOJMGSGNZDM-CQSZACIVSA-N 1 0 384.307 2.810 20 0 GFADRO CC[N@@H+]1CC[C@H](CNC(=O)c2ccn(-c3cccc(Br)c3)n2)C1 ZINC000107893353 655125907 /nfs/dbraw/zinc/12/59/07/655125907.db2.gz SRDKXYQSPOTYSU-CYBMUJFWSA-N 1 0 377.286 2.706 20 0 GFADRO C[N@@H+]1CCC[C@@H](CNC(=O)CSc2nnc(-c3ccc(Cl)cc3)o2)C1 ZINC000108330104 655131173 /nfs/dbraw/zinc/13/11/73/655131173.db2.gz ADSPMEFCCQMRPN-LBPRGKRZSA-N 1 0 380.901 2.940 20 0 GFADRO C[N@@H+]1CCC[C@H](CNC(=O)C2(c3ccc(Br)cc3)CCOCC2)C1 ZINC000108344588 655131691 /nfs/dbraw/zinc/13/16/91/655131691.db2.gz LHRJTTBPPQLSQZ-OAHLLOKOSA-N 1 0 395.341 2.955 20 0 GFADRO O=C(Nc1ccc(I)cc1)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000108495252 655134340 /nfs/dbraw/zinc/13/43/40/655134340.db2.gz AMGYZVWOKKAENH-CQSZACIVSA-N 1 0 385.249 2.897 20 0 GFADRO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)NCCc2ccc(Cl)s2)CC1 ZINC000108558644 655134723 /nfs/dbraw/zinc/13/47/23/655134723.db2.gz FGLBQCRVYCJMQG-OAHLLOKOSA-N 1 0 384.977 2.756 20 0 GFADRO C[N@@H+]1CCC[C@H](CNC(=O)N2CCO[C@H](c3cccc(Br)c3)C2)C1 ZINC000108590464 655135223 /nfs/dbraw/zinc/13/52/23/655135223.db2.gz JZDKZCMEABRMGH-PBHICJAKSA-N 1 0 396.329 2.874 20 0 GFADRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)CCS(=O)(=O)c1ccc(Cl)cc1 ZINC000273302796 655138659 /nfs/dbraw/zinc/13/86/59/655138659.db2.gz RVINOPIBXOQCFU-AWEZNQCLSA-N 1 0 386.945 2.693 20 0 GFADRO C[C@H]([NH2+]C[C@H](O)COc1ccc(Cl)cc1Br)c1cnn(C)c1 ZINC000273382539 655141544 /nfs/dbraw/zinc/14/15/44/655141544.db2.gz NAGQSURTIBHGMF-GWCFXTLKSA-N 1 0 388.693 2.927 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)C(=O)c1ccc(Br)s1)Cc1ccccc1 ZINC000839463355 661085233 /nfs/dbraw/zinc/08/52/33/661085233.db2.gz YFJWCMRWURBIQP-CYBMUJFWSA-N 1 0 395.322 2.982 20 0 GFADRO C[C@H](CNC(=O)C(=O)Nc1cc(Cl)c(N)c(Cl)c1)[N@@H+]1CCCC[C@H]1C ZINC000839459141 661085323 /nfs/dbraw/zinc/08/53/23/661085323.db2.gz KUOARMAQSHSNOC-GHMZBOCLSA-N 1 0 387.311 2.893 20 0 GFADRO C[C@@H](NC(=O)c1cnn(C)c1Br)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000273604927 655150446 /nfs/dbraw/zinc/15/04/46/655150446.db2.gz KHXJZYFFVPGXCW-UKRRQHHQSA-N 1 0 391.313 2.823 20 0 GFADRO COc1ccc(CN2CCC(C[NH+]3CCOCC3)CC2)c(Br)c1O ZINC000273788179 655158272 /nfs/dbraw/zinc/15/82/72/655158272.db2.gz URTIUGSXYPFJEU-UHFFFAOYSA-N 1 0 399.329 2.708 20 0 GFADRO CCC(CC)[C@@H](CNC(=O)C(=O)Nc1cc(Cl)c(N)c(Cl)c1)[NH+](C)C ZINC000839486400 661086573 /nfs/dbraw/zinc/08/65/73/661086573.db2.gz UAXQVTLGKSMSOR-CQSZACIVSA-N 1 0 389.327 2.997 20 0 GFADRO C[NH+](C)CCOc1cc(-c2noc(-c3ccncc3Br)n2)ccn1 ZINC000273922756 655164460 /nfs/dbraw/zinc/16/44/60/655164460.db2.gz LHPJLRVQSJYEOR-UHFFFAOYSA-N 1 0 390.241 2.897 20 0 GFADRO CN(Cc1ccccc1Br)C(=O)C[NH+]1CCC(n2ccnc2)CC1 ZINC000111244034 655167416 /nfs/dbraw/zinc/16/74/16/655167416.db2.gz YZVWTYVEGUGXPQ-UHFFFAOYSA-N 1 0 391.313 2.941 20 0 GFADRO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NC[C@H](O)c1ccc(Cl)cc1Cl ZINC000173321266 655168189 /nfs/dbraw/zinc/16/81/89/655168189.db2.gz SWLZUTQNXGZCBY-DLBZAZTESA-N 1 0 389.323 2.936 20 0 GFADRO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NC[C@@H](O)c1ccc(Cl)cc1Cl ZINC000173321285 655168200 /nfs/dbraw/zinc/16/82/00/655168200.db2.gz SWLZUTQNXGZCBY-SJORKVTESA-N 1 0 389.323 2.936 20 0 GFADRO Brc1ccc2[nH]nc(-c3nc([C@@H]4C[N@@H+]5CCC[C@@H]5CO4)no3)c2c1 ZINC000274005873 655168467 /nfs/dbraw/zinc/16/84/67/655168467.db2.gz OAYLTPNVGYMIQZ-MFKMUULPSA-N 1 0 390.241 2.911 20 0 GFADRO Cn1cc(N2CC[C@H]([NH2+][C@@H]3CCc4c3cccc4Br)C2=O)cn1 ZINC000111373783 655171974 /nfs/dbraw/zinc/17/19/74/655171974.db2.gz BAMIJQSIZAFMAV-CVEARBPZSA-N 1 0 375.270 2.565 20 0 GFADRO CCCCCC[N@H+](C)CC(=O)Nc1nc(Cc2n[nH]c(=S)n2C)cs1 ZINC000111558987 655173887 /nfs/dbraw/zinc/17/38/87/655173887.db2.gz UGWBZKZSRKIJEW-UHFFFAOYSA-N 1 0 382.559 2.976 20 0 GFADRO CC[N@@H+]1CCCN(Cc2noc(Cc3ccc(Br)cc3)n2)CC1 ZINC000111688863 655176417 /nfs/dbraw/zinc/17/64/17/655176417.db2.gz XRCXLIUFEGMYPY-UHFFFAOYSA-N 1 0 379.302 2.951 20 0 GFADRO Cc1cnc(Cl)c(NC(=O)C(=O)N(CC[NH+](C)C)Cc2ccsc2)c1 ZINC000839592143 661094304 /nfs/dbraw/zinc/09/43/04/661094304.db2.gz FKTPGPOKGMIELC-UHFFFAOYSA-N 1 0 380.901 2.634 20 0 GFADRO Cc1cc(NC(=O)C(=O)N(CC[NH+](C)C)Cc2ccsc2)cnc1Cl ZINC000839593014 661094570 /nfs/dbraw/zinc/09/45/70/661094570.db2.gz PIBVHDDYNYGIKB-UHFFFAOYSA-N 1 0 380.901 2.634 20 0 GFADRO C[NH+]1CCC(CNC(=O)N[C@H]2CCN(c3ccccc3Br)C2)CC1 ZINC000111857384 655178243 /nfs/dbraw/zinc/17/82/43/655178243.db2.gz KPKUQJSCRQRDPE-HNNXBMFYSA-N 1 0 395.345 2.669 20 0 GFADRO CC[C@@H](CO)[NH+]1CCN(CC(=O)N[C@H](C)c2ccc(Cl)cc2Cl)CC1 ZINC000173748094 655179341 /nfs/dbraw/zinc/17/93/41/655179341.db2.gz LURPEDMHYGRDPD-HIFRSBDPSA-N 1 0 388.339 2.559 20 0 GFADRO O=C(NCCC[NH+]1CCCC1)C1CCN(c2ccncc2Br)CC1 ZINC000274308591 655184313 /nfs/dbraw/zinc/18/43/13/655184313.db2.gz AHBIABRHFMXGOQ-UHFFFAOYSA-N 1 0 395.345 2.663 20 0 GFADRO COc1ccc(CNC(=O)Nc2ccn(CC[NH+](C)C)n2)cc1Br ZINC000173914155 655185115 /nfs/dbraw/zinc/18/51/15/655185115.db2.gz GRHLCOHLINHYOW-UHFFFAOYSA-N 1 0 396.289 2.538 20 0 GFADRO Brc1cncc(C[NH2+]C[C@H]2CN(Cc3ccccc3)CCO2)c1 ZINC000274362584 655185866 /nfs/dbraw/zinc/18/58/66/655185866.db2.gz WDDQCACMQHUYMQ-SFHVURJKSA-N 1 0 376.298 2.835 20 0 GFADRO COC(=O)CC[N@H+](CC(=O)Nc1ccc(Cl)cc1Cl)C1CCOCC1 ZINC000173999187 655189501 /nfs/dbraw/zinc/18/95/01/655189501.db2.gz PVSCTSAGPUOCFU-UHFFFAOYSA-N 1 0 389.279 2.976 20 0 GFADRO COCC[N@H+](C)CCCNCc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000112371825 655190169 /nfs/dbraw/zinc/19/01/69/655190169.db2.gz XHDTUTFMPCVDFP-UHFFFAOYSA-N 1 0 381.318 2.897 20 0 GFADRO O[C@@H](C[NH2+]Cc1nc(-c2ccc(Br)cc2)c[nH]1)COCC1CC1 ZINC000112373267 655190488 /nfs/dbraw/zinc/19/04/88/655190488.db2.gz GCAXUJUDZXKJJA-HNNXBMFYSA-N 1 0 380.286 2.716 20 0 GFADRO C[NH+](C)CCN1CCC(NC(=O)N2CCc3ccc(Br)cc32)CC1 ZINC000112437303 655190972 /nfs/dbraw/zinc/19/09/72/655190972.db2.gz VFRLEBZYZZHZRI-UHFFFAOYSA-N 1 0 395.345 2.547 20 0 GFADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)N1Cc2cccc(Br)c2C1 ZINC000274555678 655193076 /nfs/dbraw/zinc/19/30/76/655193076.db2.gz JHZIDDMNPTZUEY-AWEZNQCLSA-N 1 0 395.345 2.500 20 0 GFADRO Cc1nc2n(n1)C[C@H]([NH2+][C@H](C)C(=O)Nc1ccc(C)cc1Br)CC2 ZINC000112549369 655193192 /nfs/dbraw/zinc/19/31/92/655193192.db2.gz VMJHUORMHCGJMN-DGCLKSJQSA-N 1 0 392.301 2.589 20 0 GFADRO O=C(NCC1([NH+]2CCCCC2)CCOCC1)c1ccc(Br)nc1 ZINC000174221732 655193791 /nfs/dbraw/zinc/19/37/91/655193791.db2.gz UQJLPTVATDUHLS-UHFFFAOYSA-N 1 0 382.302 2.609 20 0 GFADRO O=C(CC[NH+]1CCC(n2cncn2)CC1)Nc1cccc(Br)c1 ZINC000112660761 655194682 /nfs/dbraw/zinc/19/46/82/655194682.db2.gz SQSDJTFPJKCPKS-UHFFFAOYSA-N 1 0 378.274 2.706 20 0 GFADRO C[C@@H](CC[NH+]1CCN(C)CC1)Nc1ccnc2cc(Br)cnc21 ZINC000274689740 655197529 /nfs/dbraw/zinc/19/75/29/655197529.db2.gz ZTTLNERQNUENFA-ZDUSSCGKSA-N 1 0 378.318 2.830 20 0 GFADRO CC[NH+]1CCN([C@@H](C)CNC(=O)c2cc(Cl)ccc2Br)CC1 ZINC000112916756 655199559 /nfs/dbraw/zinc/19/95/59/655199559.db2.gz GGDUWFRJDRJYED-LBPRGKRZSA-N 1 0 388.737 2.858 20 0 GFADRO CCN1CC[NH+](C[C@H](C)CNC(=O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000112921963 655199833 /nfs/dbraw/zinc/19/98/33/655199833.db2.gz WLFBCJWRDXBLFT-CQSZACIVSA-N 1 0 388.339 2.762 20 0 GFADRO CS[C@@H]1CN(S(=O)(=O)c2cnc(Cl)c(Cl)c2)C[C@H]1[NH+]1CCCC1 ZINC000274781759 655201270 /nfs/dbraw/zinc/20/12/70/655201270.db2.gz KNQRMCIIIODNBR-CHWSQXEVSA-N 1 0 396.365 2.589 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)Cc2csc(-c3ccc(Cl)cc3Cl)n2)CCO1 ZINC000274794473 655202097 /nfs/dbraw/zinc/20/20/97/655202097.db2.gz NQRFENPFDZBUEY-LBPRGKRZSA-N 1 0 386.304 2.846 20 0 GFADRO CCN1CC[NH+](C[C@H](C)CNC(=O)NCc2cccc(Br)c2)CC1 ZINC000174426876 655202216 /nfs/dbraw/zinc/20/22/16/655202216.db2.gz FVGSVUPDYUHZNK-OAHLLOKOSA-N 1 0 397.361 2.522 20 0 GFADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)Nc1ccc(F)c(Br)c1 ZINC000274808007 655202911 /nfs/dbraw/zinc/20/29/11/655202911.db2.gz LXGVZBZMMCWZPN-GFCCVEGCSA-N 1 0 387.297 2.736 20 0 GFADRO COc1cc(C[NH2+]C(C)(C)CCO)cc(I)c1OC ZINC000174579184 655204225 /nfs/dbraw/zinc/20/42/25/655204225.db2.gz FAMPYXLSEQHWBE-UHFFFAOYSA-N 1 0 379.238 2.559 20 0 GFADRO Cc1cc(Br)cc(NC(=O)C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1 ZINC000274957780 655208841 /nfs/dbraw/zinc/20/88/41/655208841.db2.gz DYFBZPWBLSPXES-MQVJKMGUSA-N 1 0 394.313 2.828 20 0 GFADRO O=C(c1csc(I)c1)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000113426628 655210311 /nfs/dbraw/zinc/21/03/11/655210311.db2.gz ZWUSVSDRVPYQHG-LLVKDONJSA-N 1 0 376.263 2.663 20 0 GFADRO C[C@@H](C(=O)Nc1ccc(Cl)cc1)[N@@H+]1CC[C@@H](C(=O)NCC(F)(F)F)C1 ZINC000275075174 655215379 /nfs/dbraw/zinc/21/53/79/655215379.db2.gz BIMXKBCMVUIFDU-WDEREUQCSA-N 1 0 377.794 2.667 20 0 GFADRO Cc1cc(Br)ccc1CNC(=O)NCC1([NH+](C)C)CCOCC1 ZINC000114028034 655217497 /nfs/dbraw/zinc/21/74/97/655217497.db2.gz ZOZVJFZVBAOIFO-UHFFFAOYSA-N 1 0 384.318 2.668 20 0 GFADRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C1(c2ccc(Br)cc2)CCOCC1 ZINC000275158306 655220327 /nfs/dbraw/zinc/22/03/27/655220327.db2.gz NLZFLWBWSVRILC-CJNGLKHVSA-N 1 0 381.314 2.612 20 0 GFADRO CC[NH+](CC)[C@H]1CCN(S(=O)(=O)c2ccc(Br)c(OC)c2)C1 ZINC000175316299 655220391 /nfs/dbraw/zinc/22/03/91/655220391.db2.gz MGIFPIMHXGGIGZ-LBPRGKRZSA-N 1 0 391.331 2.563 20 0 GFADRO COc1cc(Br)c(NC(=O)N2CC[C@H]([NH+]3CC=CC3)C2)cc1OC ZINC000175519616 655222098 /nfs/dbraw/zinc/22/20/98/655222098.db2.gz GMWSQHWZRFEFAN-LBPRGKRZSA-N 1 0 396.285 2.944 20 0 GFADRO O=C(NCCSc1ccc(Cl)cc1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000175616653 655223672 /nfs/dbraw/zinc/22/36/72/655223672.db2.gz ZLYNPWBAVQGWRD-HNNXBMFYSA-N 1 0 383.945 2.796 20 0 GFADRO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NCc1ccc(F)cc1Br ZINC000175627997 655224190 /nfs/dbraw/zinc/22/41/90/655224190.db2.gz WZGVLWRCKYOSEI-MRXNPFEDSA-N 1 0 387.293 2.998 20 0 GFADRO C[C@H](CNC(=O)N1CC[C@H]([NH+]2CC=CC2)C1)Oc1ccccc1Br ZINC000175977671 655230880 /nfs/dbraw/zinc/23/08/80/655230880.db2.gz PBVKITHDEZHIFJ-CABCVRRESA-N 1 0 394.313 2.872 20 0 GFADRO C[N@H+](CCNC(=O)C(=O)Nc1cccnc1-c1ccc(Cl)s1)C1CC1 ZINC000275388250 655233307 /nfs/dbraw/zinc/23/33/07/655233307.db2.gz CHLFWDCTHQABCW-UHFFFAOYSA-N 1 0 378.885 2.612 20 0 GFADRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2cc(Br)cn2C)[C@H](C)C1 ZINC000115274620 655233733 /nfs/dbraw/zinc/23/37/33/655233733.db2.gz WQHBHJAPEJTTED-UKRRQHHQSA-N 1 0 386.334 2.654 20 0 GFADRO O[C@@H](c1ncc[nH]1)C1CC[NH+](CCOc2ccc(Br)cc2)CC1 ZINC000839576370 661093236 /nfs/dbraw/zinc/09/32/36/661093236.db2.gz NMYBVGOSJWVFDX-MRXNPFEDSA-N 1 0 380.286 2.997 20 0 GFADRO OCC[N@H+](Cc1nc(-c2cc(Br)cs2)no1)C1CCOCC1 ZINC000275603234 655243446 /nfs/dbraw/zinc/24/34/46/655243446.db2.gz RUGSRXNOZYZQRP-UHFFFAOYSA-N 1 0 388.287 2.534 20 0 GFADRO C[NH+](C)CCCOC1CCN(C(=O)c2ccc(Br)cc2O)CC1 ZINC000176424071 655245223 /nfs/dbraw/zinc/24/52/23/655245223.db2.gz ATPCFXAMVZHKFQ-UHFFFAOYSA-N 1 0 385.302 2.728 20 0 GFADRO C[C@H](NC1CC[NH+](Cc2ccccc2Br)CC1)c1ncn(C)n1 ZINC000275702358 655247567 /nfs/dbraw/zinc/24/75/67/655247567.db2.gz LBCSMHDXUVPSNI-ZDUSSCGKSA-N 1 0 378.318 2.893 20 0 GFADRO [NH3+][C@@H]1CCC[C@H](NC(=O)CCC[S@@](=O)c2ccc(Br)cc2)C1 ZINC000275803043 655251791 /nfs/dbraw/zinc/25/17/91/655251791.db2.gz TZSFZIPLPWLFBN-ALLJEULLSA-N 1 0 387.343 2.723 20 0 GFADRO Cc1cc(S(=O)(=O)N(C)C[C@H]2CCC[N@H+](C)C2)sc1Br ZINC000176924509 655261582 /nfs/dbraw/zinc/26/15/82/655261582.db2.gz RAVFTTWIOAWEDB-NSHDSACASA-N 1 0 381.361 2.781 20 0 GFADRO C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)CNC(=O)c1cccs1 ZINC000117245466 655262172 /nfs/dbraw/zinc/26/21/72/655262172.db2.gz BIENPHLFQYMMLQ-UHFFFAOYSA-N 1 0 379.913 2.722 20 0 GFADRO CC[C@H](Cc1cccc(Br)c1)C(=O)NCCN1CC[NH+](CC)CC1 ZINC000117259489 655262467 /nfs/dbraw/zinc/26/24/67/655262467.db2.gz JKIYWXKELMUAKP-QGZVFWFLSA-N 1 0 396.373 2.772 20 0 GFADRO CC[C@@H](Cc1cccc(Br)c1)C(=O)NCCN1CC[NH+](CC)CC1 ZINC000117259486 655262527 /nfs/dbraw/zinc/26/25/27/655262527.db2.gz JKIYWXKELMUAKP-KRWDZBQOSA-N 1 0 396.373 2.772 20 0 GFADRO CC[C@@H]1CN(C(=O)c2cc(Cl)c(Cl)cc2OC)CC[N@@H+]1C[C@@H](C)O ZINC000176936610 655262648 /nfs/dbraw/zinc/26/26/48/655262648.db2.gz XFPNEXXEVYCRHK-VXGBXAGGSA-N 1 0 375.296 2.919 20 0 GFADRO C[NH+](C)CCOc1ccc(NC(=O)CNC(=O)c2cccs2)cc1Cl ZINC000117261778 655262777 /nfs/dbraw/zinc/26/27/77/655262777.db2.gz CWPREKVHPKMRII-UHFFFAOYSA-N 1 0 381.885 2.710 20 0 GFADRO C[C@H](NS(=O)(=O)c1cc(Br)cnc1Cl)C(C)(C)C[NH+](C)C ZINC000177002189 655264759 /nfs/dbraw/zinc/26/47/59/655264759.db2.gz NSJOFYRMZVZAMW-VIFPVBQESA-N 1 0 398.754 2.752 20 0 GFADRO CC[N@@H+]1CCCN(C(=O)c2nn(-c3ccc(F)cc3)cc2Br)CC1 ZINC000117796779 655268134 /nfs/dbraw/zinc/26/81/34/655268134.db2.gz BEPILCDLBVGKMX-UHFFFAOYSA-N 1 0 395.276 2.942 20 0 GFADRO C[C@H]([NH2+]C[C@@H](O)c1ccc(Cl)cc1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000177194989 655270251 /nfs/dbraw/zinc/27/02/51/655270251.db2.gz ZBQMTBNSXUFAGL-SCLBCKFNSA-N 1 0 382.913 2.975 20 0 GFADRO CCOC(=O)c1csc(CC[NH2+][C@H](C)c2ccc(S(C)(=O)=O)cc2)n1 ZINC000276315726 655270982 /nfs/dbraw/zinc/27/09/82/655270982.db2.gz PGCMKICPSGKYRM-GFCCVEGCSA-N 1 0 382.507 2.617 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1ccc(Cl)cc1C(F)(F)F)C1CC1 ZINC000118101983 655271858 /nfs/dbraw/zinc/27/18/58/655271858.db2.gz HXNDWFMZMFVRTF-ZDUSSCGKSA-N 1 0 377.794 2.754 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1ccccc1SC(F)(F)F)C1CC1 ZINC000118101323 655271889 /nfs/dbraw/zinc/27/18/89/655271889.db2.gz ASMWTPIXHPTQCA-LBPRGKRZSA-N 1 0 375.416 2.693 20 0 GFADRO C[N@@H+]1CCC[C@H](CCNC(=O)CCN2C(=S)N=NC2c2cccs2)C1 ZINC000839799940 661108012 /nfs/dbraw/zinc/10/80/12/661108012.db2.gz SEWDYDVHWUWPHM-CYBMUJFWSA-N 1 0 379.555 2.534 20 0 GFADRO C[C@H](CNC(=O)C(=O)Nc1ccccc1SC(F)(F)F)[N@H+](C)C1CC1 ZINC000118128663 655272495 /nfs/dbraw/zinc/27/24/95/655272495.db2.gz JNYWDFXTFOFKRK-SNVBAGLBSA-N 1 0 375.416 2.836 20 0 GFADRO CC[NH+](CC)CCNC(=O)Nc1ccc(F)cc1I ZINC000177278928 655272514 /nfs/dbraw/zinc/27/25/14/655272514.db2.gz YOOWNDHDLLTDEH-UHFFFAOYSA-N 1 0 379.217 2.894 20 0 GFADRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)Nc1ccc(Br)cc1F ZINC000118127179 655272556 /nfs/dbraw/zinc/27/25/56/655272556.db2.gz SOSSNEYTEQUESD-GFCCVEGCSA-N 1 0 386.265 2.517 20 0 GFADRO CS(=O)(=O)N[C@@H]1CCC[N@H+](CCSc2ccnc3cc(Cl)ccc32)C1 ZINC000177427920 655276813 /nfs/dbraw/zinc/27/68/13/655276813.db2.gz UKLGAHPGCLCEMB-CQSZACIVSA-N 1 0 399.969 2.994 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)c2cc(=O)c3cc(Br)ccc3[nH]2)C1 ZINC000177503650 655278087 /nfs/dbraw/zinc/27/80/87/655278087.db2.gz XIAFVCBCCKJUAR-QWHCGFSZSA-N 1 0 392.297 2.893 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000177531891 655279945 /nfs/dbraw/zinc/27/99/45/655279945.db2.gz CSMPGGCOWOVFGZ-AWEZNQCLSA-N 1 0 382.302 2.557 20 0 GFADRO C[N@@H+]1CCC[C@H](CNC(=O)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000118898058 655283348 /nfs/dbraw/zinc/28/33/48/655283348.db2.gz DCRNYRFTMHNFPN-SNVBAGLBSA-N 1 0 377.794 2.755 20 0 GFADRO COc1cc(OCC[NH+](C)C)ccc1NC(=O)c1n[nH]c(C)c1Br ZINC000839824421 661110752 /nfs/dbraw/zinc/11/07/52/661110752.db2.gz DIMWUMPVBWZEHH-UHFFFAOYSA-N 1 0 397.273 2.682 20 0 GFADRO O=C(Cc1ccccc1I)NCC[NH+]1CCCCCC1 ZINC000119114468 655290894 /nfs/dbraw/zinc/29/08/94/655290894.db2.gz UWDWKJWNFMYECP-UHFFFAOYSA-N 1 0 386.277 2.826 20 0 GFADRO C[C@@H](C(=O)N1CCC(C(=O)Nc2cccc(Br)c2)CC1)[C@H](C)[NH3+] ZINC000276950871 655294739 /nfs/dbraw/zinc/29/47/39/655294739.db2.gz DSCORFTZJZVEPV-NEPJUHHUSA-N 1 0 382.302 2.610 20 0 GFADRO O=C(c1ccc(Br)cc1Cl)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000178086702 655297260 /nfs/dbraw/zinc/29/72/60/655297260.db2.gz YWFAQTFTVKVGGM-GFCCVEGCSA-N 1 0 387.705 2.897 20 0 GFADRO C[NH+]1CCC(C)(CNC(=O)C(=O)Nc2cc(Cl)c(F)c(Cl)c2)CC1 ZINC000277049853 655300310 /nfs/dbraw/zinc/30/03/10/655300310.db2.gz OVPBUEOXPGTTNY-UHFFFAOYSA-N 1 0 376.259 2.919 20 0 GFADRO CN(C(=O)c1c(F)cccc1I)[C@@H]1CCC[N@H+](C)C1 ZINC000119385222 655302007 /nfs/dbraw/zinc/30/20/07/655302007.db2.gz IUBCZOFEVRETIY-SNVBAGLBSA-N 1 0 376.213 2.597 20 0 GFADRO C[C@@H](NC(=O)c1cc(Br)nn1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000277094061 655302831 /nfs/dbraw/zinc/30/28/31/655302831.db2.gz VWLIKTYLKDOXGR-UKRRQHHQSA-N 1 0 391.313 2.823 20 0 GFADRO Cc1cccc(NC(=O)C(=O)N2CCC[C@@H]([NH+](C)C)CC2)c1Br ZINC000277222764 655308533 /nfs/dbraw/zinc/30/85/33/655308533.db2.gz ZFCQEOYXAITBHS-CYBMUJFWSA-N 1 0 382.302 2.639 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2cccc(Br)c2C)[C@H](C)C1 ZINC000119690886 655311294 /nfs/dbraw/zinc/31/12/94/655311294.db2.gz FAJNQNZOQAEDSB-WBMJQRKESA-N 1 0 396.329 2.885 20 0 GFADRO O=C([C@H](O)c1cc(Cl)cc(Cl)c1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000179237647 655312178 /nfs/dbraw/zinc/31/21/78/655312178.db2.gz AQECADSNQZZDCI-QGZVFWFLSA-N 1 0 387.307 2.598 20 0 GFADRO Cc1cnc(C2CC[NH+](CCC(=O)Nc3sccc3C(N)=O)CC2)s1 ZINC000277396713 655316850 /nfs/dbraw/zinc/31/68/50/655316850.db2.gz KQLZZTMIQRLVTR-UHFFFAOYSA-N 1 0 378.523 2.820 20 0 GFADRO C[C@@]1(C(=O)N2CCN(Cc3ccc(Br)s3)CC2)CCC[NH2+]C1 ZINC000119871575 655319222 /nfs/dbraw/zinc/31/92/22/655319222.db2.gz YSVZXKRYUGZVCH-MRXNPFEDSA-N 1 0 386.359 2.545 20 0 GFADRO C[C@H]1C[N@H+](CCCNC(=O)c2cc(Br)ncc2Cl)CCCO1 ZINC000277496585 655322796 /nfs/dbraw/zinc/32/27/96/655322796.db2.gz JRQJRLVQTLXFKZ-NSHDSACASA-N 1 0 390.709 2.728 20 0 GFADRO COc1cc(/C=C/C(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)cc(Br)c1O ZINC000180142808 655322863 /nfs/dbraw/zinc/32/28/63/655322863.db2.gz VATVMMWFPCSUTK-PPQATAHVSA-N 1 0 395.297 2.918 20 0 GFADRO CC[NH+](CC)[C@H](CNC(=O)C(=O)Nc1ccc(Cl)nc1)c1ccsc1 ZINC000119990247 655324181 /nfs/dbraw/zinc/32/41/81/655324181.db2.gz LETURPCUUIHKRR-CQSZACIVSA-N 1 0 380.901 2.934 20 0 GFADRO C[C@H]1C[N@H+](CCCNC(=O)Cc2ccc(Br)c(F)c2)CCCO1 ZINC000277525717 655324607 /nfs/dbraw/zinc/32/46/07/655324607.db2.gz LGXURISFVRSYFN-ZDUSSCGKSA-N 1 0 387.293 2.748 20 0 GFADRO COc1cc(Br)cc(C[NH+]2CCC(CC(=O)N(C)C)CC2)c1O ZINC000180329603 655325475 /nfs/dbraw/zinc/32/54/75/655325475.db2.gz RXRBRZBYBXFRAX-UHFFFAOYSA-N 1 0 385.302 2.854 20 0 GFADRO CSCC[C@@H]1NC(=S)N(C[C@@H]2CCC[N@H+](Cc3cccs3)C2)C1=O ZINC000120042709 655325623 /nfs/dbraw/zinc/32/56/23/655325623.db2.gz BMRMLYZTVWOJSV-HIFRSBDPSA-N 1 0 383.608 2.799 20 0 GFADRO CSCC[C@H]1NC(=S)N(C[C@@H]2CCC[N@H+](Cc3cccs3)C2)C1=O ZINC000120042554 655325651 /nfs/dbraw/zinc/32/56/51/655325651.db2.gz BMRMLYZTVWOJSV-UKRRQHHQSA-N 1 0 383.608 2.799 20 0 GFADRO Cc1c(Br)ccc(C(=O)N2CCN(CC[NH+]3CCCC3)CC2)c1F ZINC000278906510 655326669 /nfs/dbraw/zinc/32/66/69/655326669.db2.gz GFLSUXAGJSCEBT-UHFFFAOYSA-N 1 0 398.320 2.750 20 0 GFADRO CC(C)OCC[NH+]1CCC(NC(=O)c2nc(Br)cs2)CC1 ZINC000120097298 655327596 /nfs/dbraw/zinc/32/75/96/655327596.db2.gz JCABMOHWUBANOI-UHFFFAOYSA-N 1 0 376.320 2.525 20 0 GFADRO O=C1CCCCN1C1CC[NH+](C[C@H](O)c2ccc(Br)cc2)CC1 ZINC000120227108 655331988 /nfs/dbraw/zinc/33/19/88/655331988.db2.gz VTMBBNFOIFRPPJ-KRWDZBQOSA-N 1 0 381.314 2.959 20 0 GFADRO C[C@H](Oc1ccc(I)cc1)C(=O)NCCCC[NH+](C)C ZINC000281136958 655332689 /nfs/dbraw/zinc/33/26/89/655332689.db2.gz DLJFKTWIXYYYQY-LBPRGKRZSA-N 1 0 390.265 2.517 20 0 GFADRO S=c1n2cc(Br)ccc2nn1CN1CC[NH+](CC2CC2)CC1 ZINC000839967106 661120923 /nfs/dbraw/zinc/12/09/23/661120923.db2.gz CPWLKFKFJBLZND-UHFFFAOYSA-N 1 0 382.331 2.613 20 0 GFADRO Cc1nc(Br)ccc1NC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000181327671 655335285 /nfs/dbraw/zinc/33/52/85/655335285.db2.gz ZLEQNCNQVUFWEX-CYBMUJFWSA-N 1 0 385.306 2.631 20 0 GFADRO CC(C)[C@H](CNC(=O)CCc1ccccc1Br)[NH+]1CCN(C)CC1 ZINC000120474557 655336794 /nfs/dbraw/zinc/33/67/94/655336794.db2.gz VKVVPTCTCAEFNI-SFHVURJKSA-N 1 0 396.373 2.770 20 0 GFADRO C[C@H](Cc1c(Cl)cccc1Cl)NC(=O)N[C@@H](C)CN1CC[NH+](C)CC1 ZINC000120707864 655342702 /nfs/dbraw/zinc/34/27/02/655342702.db2.gz BMRGQHMOYVSLGT-KGLIPLIRSA-N 1 0 387.355 2.860 20 0 GFADRO Cc1ccc(-c2ncc(C[NH+]3CCC(CNS(C)(=O)=O)CC3)s2)cc1 ZINC000289311839 655346348 /nfs/dbraw/zinc/34/63/48/655346348.db2.gz DTUZKBUIOSMWAM-UHFFFAOYSA-N 1 0 379.551 2.880 20 0 GFADRO Cc1nc(NC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)ccc1I ZINC000291074794 655350532 /nfs/dbraw/zinc/35/05/32/655350532.db2.gz MGVLXKALWQUUGK-YOGCLGLASA-N 1 0 385.249 2.854 20 0 GFADRO C[N@@H+]1CCC[C@@]2(CCN(S(=O)(=O)c3cc(F)ccc3Br)C2)C1 ZINC000292805771 655354558 /nfs/dbraw/zinc/35/45/58/655354558.db2.gz MSTNRNFVULCDFQ-OAHLLOKOSA-N 1 0 391.306 2.695 20 0 GFADRO CN1CC[NH+](CCC(C)(C)NC(=O)[C@H](O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000184182011 655355615 /nfs/dbraw/zinc/35/56/15/655355615.db2.gz BWPTVRAEKXFOQG-MRXNPFEDSA-N 1 0 388.339 2.559 20 0 GFADRO O[C@@H](COc1ccc(Cl)cc1Cl)C[NH+]1CCC2(CC1)OCCCO2 ZINC000293012880 655358428 /nfs/dbraw/zinc/35/84/28/655358428.db2.gz OCDUGKQVTNVIBU-CQSZACIVSA-N 1 0 376.280 2.962 20 0 GFADRO C[C@H](C[N@@H+]1CCC[C@H](n2cc(CO)nn2)C1)c1cccc(Br)c1 ZINC000293770231 655361739 /nfs/dbraw/zinc/36/17/39/655361739.db2.gz YNBSPWBYVGKGDM-DYVFJYSZSA-N 1 0 379.302 2.974 20 0 GFADRO C[C@@H](C[N@@H+]1CCC[C@@H](n2cc(CO)nn2)C1)c1cccc(Br)c1 ZINC000293770241 655361772 /nfs/dbraw/zinc/36/17/72/655361772.db2.gz YNBSPWBYVGKGDM-SUMWQHHRSA-N 1 0 379.302 2.974 20 0 GFADRO C[C@@H](Oc1cccc(Br)c1)C(=O)Nc1ccnn1CC[NH+](C)C ZINC000294054725 655364578 /nfs/dbraw/zinc/36/45/78/655364578.db2.gz LPQBTVVWWJOGCV-GFCCVEGCSA-N 1 0 381.274 2.613 20 0 GFADRO CON(C)C(=O)[C@H](CCSC)[NH2+][C@H](C)c1ccc(Br)cc1O ZINC000186118865 655367899 /nfs/dbraw/zinc/36/78/99/655367899.db2.gz XNTLUGLALKGNRV-MFKMUULPSA-N 1 0 391.331 2.947 20 0 GFADRO C[C@@]1(C[C@@H]2CCC[N@@H+]2Cc2cccc(F)c2Br)NC(=O)NC1=O ZINC000296149336 655368185 /nfs/dbraw/zinc/36/81/85/655368185.db2.gz VVCMFNPYXHGCCX-ZBEGNZNMSA-N 1 0 384.249 2.541 20 0 GFADRO COC(=O)N1CCC([C@@H](C)[NH2+]CC(=O)N(C)Cc2ccc(Cl)s2)CC1 ZINC000186402881 655369415 /nfs/dbraw/zinc/36/94/15/655369415.db2.gz SLXODWWBBRUNRA-GFCCVEGCSA-N 1 0 387.933 2.816 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)N(C)C[C@@H](O)c2ccccc2Br)C[N@@H+]1C1CC1 ZINC000298118681 655372290 /nfs/dbraw/zinc/37/22/90/655372290.db2.gz ZEGKZGUDOPYUMX-PBFPGSCMSA-N 1 0 396.329 2.749 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)N(C)C[C@H](O)c2ccccc2Br)C[N@@H+]1C1CC1 ZINC000298118683 655372364 /nfs/dbraw/zinc/37/23/64/655372364.db2.gz ZEGKZGUDOPYUMX-XNJGSVPQSA-N 1 0 396.329 2.749 20 0 GFADRO CCN1C(=O)CN(C[N@@H+]2CC[C@H](Cc3ccc(Br)cc3)C2)C1=O ZINC000840084870 661129874 /nfs/dbraw/zinc/12/98/74/661129874.db2.gz XNRKAOYDEROASO-CQSZACIVSA-N 1 0 380.286 2.555 20 0 GFADRO COc1cc(C[NH2+]C[C@](O)(c2nccn2C)C(F)(F)F)ccc1SC ZINC000299368390 655374899 /nfs/dbraw/zinc/37/48/99/655374899.db2.gz QBZYWMGWDGZTHY-HNNXBMFYSA-N 1 0 375.416 2.690 20 0 GFADRO Cc1ccc(I)c(C(=O)NC2CC[NH+](C3CC3)CC2)c1 ZINC000299624953 655377529 /nfs/dbraw/zinc/37/75/29/655377529.db2.gz RGPKDLAOXLPVND-UHFFFAOYSA-N 1 0 384.261 2.956 20 0 GFADRO CN(C1CCC([NH3+])CC1)S(=O)(=O)c1c(Cl)cccc1Br ZINC000312492884 655379677 /nfs/dbraw/zinc/37/96/77/655379677.db2.gz JEQITFNYZYMJML-UHFFFAOYSA-N 1 0 381.723 2.993 20 0 GFADRO CC(=O)N(c1nn(CN2CC[C@@]3(C2)CCC[N@@H+](C)C3)c(=S)s1)C1CC1 ZINC000840087793 661130997 /nfs/dbraw/zinc/13/09/97/661130997.db2.gz VNZMEVSJNVNYEE-KRWDZBQOSA-N 1 0 381.571 2.565 20 0 GFADRO CC1CC[NH+](CCNc2cnn(CC(F)(F)F)c(=O)c2Br)CC1 ZINC000322901901 655383411 /nfs/dbraw/zinc/38/34/11/655383411.db2.gz CVYBORVVYCXHAA-UHFFFAOYSA-N 1 0 397.239 2.712 20 0 GFADRO O=C1N[C@H](c2ccc(Br)cc2)C(=O)N1C1CC[NH+](CC2CC2)CC1 ZINC000349211980 655388574 /nfs/dbraw/zinc/38/85/74/655388574.db2.gz JIBHWYTYZYRCDP-MRXNPFEDSA-N 1 0 392.297 2.916 20 0 GFADRO C[C@@H]1CCC[N@H+](CCN2C(=O)N[C@H](c3ccc(Br)cc3)C2=O)C1 ZINC000349271442 655388891 /nfs/dbraw/zinc/38/88/91/655388891.db2.gz ORSVNNWNOLRYCS-IUODEOHRSA-N 1 0 380.286 2.774 20 0 GFADRO Cc1c(Br)cccc1CC(=O)NC[C@@H]1CCC[C@@H]1[NH+]1CCOCC1 ZINC000365160282 655391919 /nfs/dbraw/zinc/39/19/19/655391919.db2.gz XKKIMUAQUIXGGX-WMZOPIPTSA-N 1 0 395.341 2.917 20 0 GFADRO O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)c1cc2cc(Br)ccc2[nH]1 ZINC000366191628 655399550 /nfs/dbraw/zinc/39/95/50/655399550.db2.gz LNRQEXLDSBLNAQ-HNNXBMFYSA-N 1 0 392.297 2.914 20 0 GFADRO C[C@@H](Oc1cccc(Br)c1)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000366197422 655399851 /nfs/dbraw/zinc/39/98/51/655399851.db2.gz SBWFOURCRMRKOP-CJNGLKHVSA-N 1 0 397.313 2.586 20 0 GFADRO Cc1cc(Br)ccc1CC(=O)N1CCC[N@H+](CC(C)(C)O)CC1 ZINC000366681047 655400672 /nfs/dbraw/zinc/40/06/72/655400672.db2.gz OCVFORCUCJEXOZ-UHFFFAOYSA-N 1 0 383.330 2.605 20 0 GFADRO O=C1[C@@H]([NH+]2CCC(C3OCCO3)CC2)CCN1c1cccc(Br)c1 ZINC000192072489 655402311 /nfs/dbraw/zinc/40/23/11/655402311.db2.gz VNKAFYSOCIIGRA-INIZCTEOSA-N 1 0 395.297 2.639 20 0 GFADRO CC(C)(COc1ncccc1Br)NC(=O)NCC1([NH3+])CCCCC1 ZINC000418319270 655405436 /nfs/dbraw/zinc/40/54/36/655405436.db2.gz OQHWZGQAEPMDNV-UHFFFAOYSA-N 1 0 399.333 2.962 20 0 GFADRO C[NH2+]CCNC(=O)N1CCC[C@H]1c1nc(-c2ccccc2Br)no1 ZINC000418322683 655405486 /nfs/dbraw/zinc/40/54/86/655405486.db2.gz DUMZQIODTUDNBT-ZDUSSCGKSA-N 1 0 394.273 2.565 20 0 GFADRO O=S(=O)(Cc1ccc(Cl)cc1Br)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000420477675 655407552 /nfs/dbraw/zinc/40/75/52/655407552.db2.gz UWHJQKOTOZTXNE-AWEZNQCLSA-N 1 0 393.734 2.760 20 0 GFADRO Cc1cc(Br)ccc1C(=O)N1CCC([NH2+]C[C@H](C)N(C)C)CC1 ZINC000449556999 655410441 /nfs/dbraw/zinc/41/04/41/655410441.db2.gz OYEPWHYUMIDSRC-AWEZNQCLSA-N 1 0 382.346 2.902 20 0 GFADRO CC[NH+](CC)[C@@H]1CCN(S(=O)(=O)c2sc(C)cc2Br)C1 ZINC000462665007 655413874 /nfs/dbraw/zinc/41/38/74/655413874.db2.gz QWYMTAHUPJSWKE-LLVKDONJSA-N 1 0 381.361 2.924 20 0 GFADRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N(CC[NH3+])Cc1ccccc1 ZINC000194746691 655417190 /nfs/dbraw/zinc/41/71/90/655417190.db2.gz NMFXQQBYWIBNPU-UHFFFAOYSA-N 1 0 383.857 2.706 20 0 GFADRO CCOC(=O)N1CCC[N@H+](C[C@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000194855104 655417792 /nfs/dbraw/zinc/41/77/92/655417792.db2.gz PSILHIBLGGPPGU-AWEZNQCLSA-N 1 0 391.295 2.897 20 0 GFADRO Nn1c(SCCC[NH+]2CCCC2)nnc1-c1cccc(Br)c1 ZINC000194969214 655418351 /nfs/dbraw/zinc/41/83/51/655418351.db2.gz UURRBGBSXRLNKT-UHFFFAOYSA-N 1 0 382.331 2.999 20 0 GFADRO CC(C)(C)OC(=O)N1CCOC[C@@H]1C[NH2+]Cc1ccc(Br)o1 ZINC000227705669 655422860 /nfs/dbraw/zinc/42/28/60/655422860.db2.gz ZEODEISXJZVKTQ-NSHDSACASA-N 1 0 375.263 2.768 20 0 GFADRO COc1c(Br)cc(Cl)cc1S(=O)(=O)NC1(C)CC[NH2+]CC1 ZINC000229626215 655423315 /nfs/dbraw/zinc/42/33/15/655423315.db2.gz XCCHGKVXWDGIIF-UHFFFAOYSA-N 1 0 397.722 2.532 20 0 GFADRO O[C@@H](C[NH2+]C[C@H]1CSCCS1)COc1cccc(Br)c1 ZINC000229602114 655423377 /nfs/dbraw/zinc/42/33/77/655423377.db2.gz RXESMGMPCFXEMQ-JSGCOSHPSA-N 1 0 378.357 2.627 20 0 GFADRO O=C(CC[NH2+][C@@H]1C[C@@H]2CCCCN2C1=O)Nc1cccc(Br)c1 ZINC000566063942 655424494 /nfs/dbraw/zinc/42/44/94/655424494.db2.gz RUJYAEKAIBBYJY-LSDHHAIUSA-N 1 0 380.286 2.521 20 0 GFADRO CCn1c(-c2cccs2)nn(CN2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)c1=S ZINC000840132794 661138285 /nfs/dbraw/zinc/13/82/85/661138285.db2.gz DTUPKAFMYRAITG-OKILXGFUSA-N 1 0 381.571 2.507 20 0 GFADRO COC(=O)c1cc(C[NH2+]CCNC(=O)c2ccc(Br)cc2)oc1C ZINC000237167441 655425786 /nfs/dbraw/zinc/42/57/86/655425786.db2.gz GVBKUNUROJYEOQ-UHFFFAOYSA-N 1 0 395.253 2.657 20 0 GFADRO CN1CC[NH2+]C[C@@H]1CNC(=O)Cc1csc(-c2ccc(Cl)cc2Cl)n1 ZINC000574159743 655425854 /nfs/dbraw/zinc/42/58/54/655425854.db2.gz QMDQORPWRGIPAQ-CYBMUJFWSA-N 1 0 399.347 2.679 20 0 GFADRO CC[N@H+](C)[C@@H](C(=O)N(C)CCn1cc(Br)cn1)c1ccccc1 ZINC000574197627 655426224 /nfs/dbraw/zinc/42/62/24/655426224.db2.gz PCUCVLDFWFGFJG-MRXNPFEDSA-N 1 0 379.302 2.797 20 0 GFADRO [NH3+][C@H]1CCC[C@H](CNS(=O)(=O)c2ccc(Cl)cc2Br)C1 ZINC000574202594 655426378 /nfs/dbraw/zinc/42/63/78/655426378.db2.gz NKQLWOQKNSUKPN-ONGXEEELSA-N 1 0 381.723 2.898 20 0 GFADRO C[C@H](Oc1cccc(Cl)c1Cl)C(=O)N1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000574201409 655426396 /nfs/dbraw/zinc/42/63/96/655426396.db2.gz QRGOTUBIGDKMEX-QWHCGFSZSA-N 1 0 387.307 2.975 20 0 GFADRO COc1ncc([C@H](C)[NH2+]CCNS(=O)(=O)c2ccc(C)s2)cc1Cl ZINC000574223517 655426656 /nfs/dbraw/zinc/42/66/56/655426656.db2.gz FFTJYVKLSGYFRY-NSHDSACASA-N 1 0 389.930 2.743 20 0 GFADRO CN(C(=O)[C@H]1CSCCS1)[C@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000245691843 655428182 /nfs/dbraw/zinc/42/81/82/655428182.db2.gz JUYZYQHUAGLDNN-FGTMMUONSA-N 1 0 385.643 2.631 20 0 GFADRO C[N@H+](C[C@@H](O)COCc1ccccc1)C[C@@H](O)c1ccccc1Br ZINC000246696234 655430370 /nfs/dbraw/zinc/43/03/70/655430370.db2.gz MPNFKHOTYTWFOM-VQIMIIECSA-N 1 0 394.309 2.992 20 0 GFADRO COC(=O)c1ccc(C(F)(F)F)nc1SCCCN1CC[NH+](C)CC1 ZINC000574780545 655430490 /nfs/dbraw/zinc/43/04/90/655430490.db2.gz UOCDDGVRZNRBNJ-UHFFFAOYSA-N 1 0 377.432 2.617 20 0 GFADRO O[C@@H](CNCc1cc(Br)cc(Br)c1)C[NH+]1CCCC1 ZINC000574789504 655430744 /nfs/dbraw/zinc/43/07/44/655430744.db2.gz ONINJNIDASTADY-AWEZNQCLSA-N 1 0 392.135 2.758 20 0 GFADRO Cc1c(Cl)cccc1-n1ccnc1SCC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000575067723 655434957 /nfs/dbraw/zinc/43/49/57/655434957.db2.gz FYJGBIZBFRQDRB-CJNGLKHVSA-N 1 0 376.913 2.747 20 0 GFADRO CC[C@@H]([NH3+])CNC(=O)c1ccccc1Sc1ccc(S(C)(=O)=O)cc1 ZINC000575804387 655437480 /nfs/dbraw/zinc/43/74/80/655437480.db2.gz NTNYLBDGIRKQOE-CYBMUJFWSA-N 1 0 378.519 2.708 20 0 GFADRO C[NH2+][C@@H](C)Cc1noc(-c2cc(F)c(F)cc2I)n1 ZINC000261771013 655442207 /nfs/dbraw/zinc/44/22/07/655442207.db2.gz NCWUGQXYWCXUIL-LURJTMIESA-N 1 0 379.148 2.770 20 0 GFADRO C[C@@H]1CCN(S(=O)(=O)c2c(Cl)cccc2Br)C[C@@H]1C[NH3+] ZINC000261850653 655442649 /nfs/dbraw/zinc/44/26/49/655442649.db2.gz WQHUOPDLTVVYIF-ZJUUUORDSA-N 1 0 381.723 2.708 20 0 GFADRO O=C(NCC1C[NH2+]C1)[C@H](Oc1ccc(Br)cc1)c1ccccc1 ZINC000262029050 655443531 /nfs/dbraw/zinc/44/35/31/655443531.db2.gz NVSAFKJENRNADF-QGZVFWFLSA-N 1 0 375.266 2.905 20 0 GFADRO Cc1nn(C)c(C)c1CCCNC(=O)[C@@](C)([NH3+])c1ccc(Br)cc1 ZINC000576343474 655445934 /nfs/dbraw/zinc/44/59/34/655445934.db2.gz SMCSDKGBJCRKAX-SFHVURJKSA-N 1 0 393.329 2.722 20 0 GFADRO O=C(C[C@@H]1COCC[NH2+]1)NCC1(c2ccc(Br)cc2)CCCC1 ZINC000262542403 655446060 /nfs/dbraw/zinc/44/60/60/655446060.db2.gz NKRVROUUULSFCR-MRXNPFEDSA-N 1 0 381.314 2.756 20 0 GFADRO O=C1NCC[C@H]1CC[NH2+]C1(Cc2ccc(F)cc2Br)CCOCC1 ZINC000576476381 655448129 /nfs/dbraw/zinc/44/81/29/655448129.db2.gz ZEXLVDQDDICQDP-ZDUSSCGKSA-N 1 0 399.304 2.796 20 0 GFADRO O[C@H](COc1cc(Cl)ccc1Cl)C[N@@H+]1CCC[C@H](N2CCOCC2)C1 ZINC000576645309 655450370 /nfs/dbraw/zinc/45/03/70/655450370.db2.gz XYCSWSFYLCLKPW-HOTGVXAUSA-N 1 0 389.323 2.530 20 0 GFADRO CC[C@H]1CN(C)CCN1C(=O)c1cn(Cc2ccc(Cl)cc2Cl)nn1 ZINC000576714043 655451442 /nfs/dbraw/zinc/45/14/42/655451442.db2.gz UDYMMACCJZWCAZ-AWEZNQCLSA-N 1 0 382.295 2.799 20 0 GFADRO CS[C@@H]1CN(C(=O)c2ncsc2Br)C[C@@H]1[NH+]1CCCC1 ZINC000576838947 655452793 /nfs/dbraw/zinc/45/27/93/655452793.db2.gz YCCUXBAENUCGFD-VHSXEESVSA-N 1 0 376.345 2.557 20 0 GFADRO CCC[C@H](C)C(=O)NCC[NH2+]CCC(=O)Nc1ccc(Br)cc1 ZINC000576864395 655453352 /nfs/dbraw/zinc/45/33/52/655453352.db2.gz SNJWUZJRIAKPOU-ZDUSSCGKSA-N 1 0 384.318 2.920 20 0 GFADRO CC[NH+]1CCC(CNC(=O)C(=O)Nc2cc(Cl)c(OC)c(Cl)c2)CC1 ZINC000576862409 655453357 /nfs/dbraw/zinc/45/33/57/655453357.db2.gz COUXBENORMEGLT-UHFFFAOYSA-N 1 0 388.295 2.789 20 0 GFADRO Cc1cc(Cl)cc(NC(=O)C(=O)N[C@@H](C)C[C@H](C)[NH3+])c1Br ZINC000577062546 655456906 /nfs/dbraw/zinc/45/69/06/655456906.db2.gz KEGURFIVFBDZGB-IUCAKERBSA-N 1 0 376.682 2.591 20 0 GFADRO C[C@H]1C[C@H](NC(=O)Nc2ccc(-c3ccc(Br)s3)nn2)CC[NH2+]1 ZINC000577080028 655457280 /nfs/dbraw/zinc/45/72/80/655457280.db2.gz XSJRKBBZKSRXJL-VHSXEESVSA-N 1 0 396.314 3.230 20 0 GFADRO COc1cc(Br)ccc1[C@H](C)NC(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000577085732 655457426 /nfs/dbraw/zinc/45/74/26/655457426.db2.gz UJWIMQCVUPGMMV-SLEUVZQESA-N 1 0 382.302 2.912 20 0 GFADRO COc1cc(Br)ccc1[C@H](C)NC(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000577085734 655457450 /nfs/dbraw/zinc/45/74/50/655457450.db2.gz UJWIMQCVUPGMMV-ZOWXZIJZSA-N 1 0 382.302 2.912 20 0 GFADRO CCOC(=O)CC[C@H](O)C[NH2+][C@@H]1CCN(c2ccc(Cl)cc2Cl)C1 ZINC000577365407 655457845 /nfs/dbraw/zinc/45/78/45/655457845.db2.gz CGYFWTOOBGMMJR-KGLIPLIRSA-N 1 0 375.296 2.866 20 0 GFADRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(I)c(F)c1 ZINC000264392843 655462700 /nfs/dbraw/zinc/46/27/00/655462700.db2.gz IGJVJBAPQQSGPM-JTQLQIEISA-N 1 0 388.224 2.644 20 0 GFADRO CC(C)COC[C@@H](O)C[NH2+]C[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000577621958 655463166 /nfs/dbraw/zinc/46/31/66/655463166.db2.gz ONXBLBIPFRSDTK-YJBOKZPZSA-N 1 0 385.346 2.899 20 0 GFADRO CCC[N@H+](CC)C[C@H](C)NC(=O)C(=O)Nc1ccc(Br)c(F)c1 ZINC000577668377 655464119 /nfs/dbraw/zinc/46/41/19/655464119.db2.gz CQRKFGIVORUHMR-NSHDSACASA-N 1 0 388.281 2.763 20 0 GFADRO [NH3+][C@H]1CCO[C@H](C2CCN(CC(=O)Nc3ccccc3Br)CC2)C1 ZINC000577714997 655465528 /nfs/dbraw/zinc/46/55/28/655465528.db2.gz UKHIKFOLAPGSIC-YOEHRIQHSA-N 1 0 396.329 2.606 20 0 GFADRO COC[C@]1(CNC(=O)CSc2ccc(Br)cc2C)CCC[NH2+]1 ZINC000577841383 655468159 /nfs/dbraw/zinc/46/81/59/655468159.db2.gz LJOBMEUTHIAZOB-MRXNPFEDSA-N 1 0 387.343 2.734 20 0 GFADRO C[C@H](COCC(F)(F)F)[NH2+]C[C@@H](O)COc1cccc(Br)c1 ZINC000577859877 655468704 /nfs/dbraw/zinc/46/87/04/655468704.db2.gz KTRSWGODZKLCAC-ZYHUDNBSSA-N 1 0 386.208 2.746 20 0 GFADRO COc1ccc(I)c(NC(=O)[C@@H](C(C)C)[C@@H](C)[NH3+])c1 ZINC000578185987 655473644 /nfs/dbraw/zinc/47/36/44/655473644.db2.gz BSCGWZRCQWZNSE-RNCFNFMXSA-N 1 0 376.238 2.858 20 0 GFADRO NS(=O)(=O)c1cc(Cl)cc(C[NH2+][C@H](c2ccccc2)[C@@H]2CCOC2)c1 ZINC000578135053 655473213 /nfs/dbraw/zinc/47/32/13/655473213.db2.gz PHMVNKZDIBFLEV-CRAIPNDOSA-N 1 0 380.897 2.855 20 0 GFADRO O[C@H](C[NH2+][C@@H]1CCO[C@@]2(CCOC2)C1)COc1ccc(Cl)cc1Cl ZINC000578187116 655473724 /nfs/dbraw/zinc/47/37/24/655473724.db2.gz PJXRQZFCRWWOOD-CPUCHLNUSA-N 1 0 376.280 2.661 20 0 GFADRO C[C@@H](CNC(=O)N[C@@H](C)c1ncc(Br)cn1)[NH+]1CCC(C)CC1 ZINC000578299824 655476033 /nfs/dbraw/zinc/47/60/33/655476033.db2.gz IVLMWBLQDRVYSS-STQMWFEESA-N 1 0 384.322 2.720 20 0 GFADRO O=S(=O)(Cc1cccc(C(F)(F)F)c1)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000578323015 655476693 /nfs/dbraw/zinc/47/66/93/655476693.db2.gz WZJFJOHGGVZFNI-HUUCEWRRSA-N 1 0 376.444 2.857 20 0 GFADRO CCn1cc(C(=O)Nc2cc(Br)ccc2N2CC[NH+](C)CC2)cn1 ZINC000265092602 655477266 /nfs/dbraw/zinc/47/72/66/655477266.db2.gz OCRKWIDBNIKJNX-UHFFFAOYSA-N 1 0 392.301 2.670 20 0 GFADRO CCN1CC[NH+](CCCCNC(=O)c2sc(C)cc2OC(F)F)CC1 ZINC000265117745 655477795 /nfs/dbraw/zinc/47/77/95/655477795.db2.gz MSPODVYFCHBYID-UHFFFAOYSA-N 1 0 375.485 2.805 20 0 GFADRO CCN1CC[NH+](CCCCNC(=O)Cc2ccc(Br)s2)CC1 ZINC000265128686 655477894 /nfs/dbraw/zinc/47/78/94/655477894.db2.gz QHYCQQSKTLQXRQ-UHFFFAOYSA-N 1 0 388.375 2.587 20 0 GFADRO CCOCCOc1ccc(Br)cc1NC(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000578423407 655478576 /nfs/dbraw/zinc/47/85/76/655478576.db2.gz YDFMSHICBJQWJH-CYBMUJFWSA-N 1 0 386.290 2.690 20 0 GFADRO C[N@@H+]1CCCC[C@@H]1CCOC(=O)c1ccc(CS(=O)(=O)C(F)F)cc1 ZINC000840289236 661152043 /nfs/dbraw/zinc/15/20/43/661152043.db2.gz JMCXSMIWDSOUGE-OAHLLOKOSA-N 1 0 375.437 2.855 20 0 GFADRO CCSCC[C@H](C)NC(=O)C(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000578461803 655479596 /nfs/dbraw/zinc/47/95/96/655479596.db2.gz VJSYPKCGCKPHOT-BBRMVZONSA-N 1 0 385.961 2.707 20 0 GFADRO CN(CCC[NH+](C)C)C(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000578574796 655481988 /nfs/dbraw/zinc/48/19/88/655481988.db2.gz KSKQRJZLGRLRJT-CXAGYDPISA-N 1 0 386.323 2.923 20 0 GFADRO CC(C)Cc1ncc(C[NH2+][C@H]2CCN(S(=O)(=O)c3ccccc3)C2)s1 ZINC000578693478 655484853 /nfs/dbraw/zinc/48/48/53/655484853.db2.gz GZKTTXDBSQAJGK-HNNXBMFYSA-N 1 0 379.551 2.894 20 0 GFADRO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)C[NH2+][C@](C)(CO)C(C)C ZINC000578701429 655484974 /nfs/dbraw/zinc/48/49/74/655484974.db2.gz ILUACOUOWLSWDP-MRXNPFEDSA-N 1 0 377.268 2.715 20 0 GFADRO O=S(=O)(c1ccc(OC(F)F)c(F)c1)N1CCCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000578746289 655486209 /nfs/dbraw/zinc/48/62/09/655486209.db2.gz KWOKQLABCFAQEX-KGLIPLIRSA-N 1 0 378.416 2.722 20 0 GFADRO CCC[C@H]1C[NH2+]CCN1C(=O)c1scc(C)c1I ZINC000579005795 655491460 /nfs/dbraw/zinc/49/14/60/655491460.db2.gz QLSZPHSPUGLLSQ-JTQLQIEISA-N 1 0 378.279 2.875 20 0 GFADRO C[C@H](NC(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1)c1ncc(Br)cn1 ZINC000579547482 655501232 /nfs/dbraw/zinc/50/12/32/655501232.db2.gz BHFMYZQJTTVNRH-GXTWGEPZSA-N 1 0 396.333 2.673 20 0 GFADRO C[C@@H](NC(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1)c1ncc(Br)cn1 ZINC000579547485 655501248 /nfs/dbraw/zinc/50/12/48/655501248.db2.gz BHFMYZQJTTVNRH-TZMCWYRMSA-N 1 0 396.333 2.673 20 0 GFADRO O=S1(=O)CCC(O)(C[NH2+][C@H](c2ccc(Cl)c(Cl)c2)C2CC2)CC1 ZINC000579847548 655504906 /nfs/dbraw/zinc/50/49/06/655504906.db2.gz AMBHKVZATHWJDM-HNNXBMFYSA-N 1 0 378.321 2.974 20 0 GFADRO C[NH2+]CCCC(=O)N1CCC(NC(=O)Nc2cc(Cl)c(Cl)cn2)CC1 ZINC000579860758 655505118 /nfs/dbraw/zinc/50/51/18/655505118.db2.gz RAMBSBCWSFGWBC-UHFFFAOYSA-N 1 0 388.299 2.501 20 0 GFADRO C[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2cccc(Cl)c2Br)C1 ZINC000580027299 655506862 /nfs/dbraw/zinc/50/68/62/655506862.db2.gz QUKJQNUARTZLSL-JTQLQIEISA-N 1 0 381.723 2.723 20 0 GFADRO C[C@@H]([NH2+]C1CC1)C(=O)N[C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000580071236 655507929 /nfs/dbraw/zinc/50/79/29/655507929.db2.gz MPPUJKRNKPOOKS-BXKDBHETSA-N 1 0 376.810 2.589 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)CCc2ccccc2Br)CC12CCOCC2 ZINC000580072582 655507930 /nfs/dbraw/zinc/50/79/30/655507930.db2.gz NPBIZGMSBZKHDK-HNNXBMFYSA-N 1 0 381.314 2.596 20 0 GFADRO [NH3+][C@@H]1CCCO[C@H]1C1CCN(CC(=O)Nc2ccccc2Br)CC1 ZINC000580174630 655509338 /nfs/dbraw/zinc/50/93/38/655509338.db2.gz CHEGIKVNZCYPQD-QAPCUYQASA-N 1 0 396.329 2.606 20 0 GFADRO Cn1cc(C[NH2+][C@H]2CC[C@H](CNC(=O)OC(C)(C)C)C2)c(Br)n1 ZINC000712470642 655522689 /nfs/dbraw/zinc/52/26/89/655522689.db2.gz NIPNVIYQGNWABJ-AAEUAGOBSA-N 1 0 387.322 2.966 20 0 GFADRO COCC[N@H+](C)CCCNC(=S)NCCc1ccc(Cl)cc1Cl ZINC000726461579 655534979 /nfs/dbraw/zinc/53/49/79/655534979.db2.gz VQDNIKDHENQCGA-UHFFFAOYSA-N 1 0 378.369 2.968 20 0 GFADRO O[C@@H](COc1cc(Cl)ccc1Cl)C[N@@H+]1CCCC[C@H]1C1OCCO1 ZINC000728172325 655553506 /nfs/dbraw/zinc/55/35/06/655553506.db2.gz CKIGBZBTNKVYOE-HIFRSBDPSA-N 1 0 376.280 2.961 20 0 GFADRO CCCC[N@@H+]1CCCC[C@H]1CNS(=O)(=O)c1c(Cl)nc2sccn21 ZINC000728589421 655557685 /nfs/dbraw/zinc/55/76/85/655557685.db2.gz FTVMUTMNNLVEPE-LBPRGKRZSA-N 1 0 390.962 2.982 20 0 GFADRO C[NH+](C)C[C@@H]1CCCCN1C(=O)c1cn(-c2ccccc2Br)nn1 ZINC000729372547 655564295 /nfs/dbraw/zinc/56/42/95/655564295.db2.gz OYSZGFSCIJGCGM-ZDUSSCGKSA-N 1 0 392.301 2.586 20 0 GFADRO O=C(NCCc1ccc(Br)cc1F)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000731118165 655581725 /nfs/dbraw/zinc/58/17/25/655581725.db2.gz WYTFTXANDPVYNQ-GFCCVEGCSA-N 1 0 384.293 2.914 20 0 GFADRO O=C(NCCCc1cccc(Br)c1)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000731220865 655582598 /nfs/dbraw/zinc/58/25/98/655582598.db2.gz WHEWLXRHNNBDFC-IRXDYDNUSA-N 1 0 396.329 2.544 20 0 GFADRO O[C@H](COc1ccc(Br)cc1)C[NH+]1CCC(n2cccn2)CC1 ZINC000731353945 655583259 /nfs/dbraw/zinc/58/32/59/655583259.db2.gz YZLMFLXFSKPFHG-INIZCTEOSA-N 1 0 380.286 2.722 20 0 GFADRO O=C(CCCCN1CCOCC1)NCCc1ccc(Br)cc1F ZINC000732094126 655591712 /nfs/dbraw/zinc/59/17/12/655591712.db2.gz RCFUDNCRQYPKTR-UHFFFAOYSA-N 1 0 387.293 2.749 20 0 GFADRO C[N@H+](CCC(=O)Nc1ccc(Cl)cc1)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000732809469 655602418 /nfs/dbraw/zinc/60/24/18/655602418.db2.gz DUCGXZBMJOGKDI-CYBMUJFWSA-N 1 0 377.794 2.764 20 0 GFADRO CC(C)[C@@H](C[NH+](C)C)NC(=O)[C@@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000733168290 655608713 /nfs/dbraw/zinc/60/87/13/655608713.db2.gz SKJGDVLXBQNBNQ-UKRRQHHQSA-N 1 0 396.329 2.504 20 0 GFADRO CSC[C@@H](C)C(=O)OCC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000733497929 655616366 /nfs/dbraw/zinc/61/63/66/655616366.db2.gz QXNDDXTUVOVXML-CQSZACIVSA-N 1 0 382.551 2.716 20 0 GFADRO Cc1ccc(/C=C\C(=O)NCC2([NH+](C)C)CCOCC2)c(Br)c1 ZINC000733868188 655622017 /nfs/dbraw/zinc/62/20/17/655622017.db2.gz VRAYXORGFSVXPL-SREVYHEPSA-N 1 0 381.314 2.998 20 0 GFADRO OCC1([NH2+]Cc2ccccc2I)Cc2ccccc2C1 ZINC000734845840 655635268 /nfs/dbraw/zinc/63/52/68/655635268.db2.gz IVAUOMFCGORNFV-UHFFFAOYSA-N 1 0 379.241 2.911 20 0 GFADRO C[S@](=O)CC[NH2+]Cc1cc(Br)ccc1OCc1ccccn1 ZINC000735084499 655639097 /nfs/dbraw/zinc/63/90/97/655639097.db2.gz LBUYRAJYMPMTLO-QFIPXVFZSA-N 1 0 383.311 2.891 20 0 GFADRO CC[C@H](Cc1cccc(Br)c1)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000735272050 655643565 /nfs/dbraw/zinc/64/35/65/655643565.db2.gz OWYBAEMATNHONU-KBAYOESNSA-N 1 0 395.341 2.997 20 0 GFADRO C[NH+](C)CC(C)(C)CNC(=O)C(=O)Nc1cccc(C2SCCS2)c1 ZINC000735886680 655654450 /nfs/dbraw/zinc/65/44/50/655654450.db2.gz GOLRUNRMAIXYMG-UHFFFAOYSA-N 1 0 381.567 2.808 20 0 GFADRO C[NH+](C)[C@@H](CNc1ccc(S(N)(=O)=O)c2cccnc12)c1ccsc1 ZINC000736591944 655665019 /nfs/dbraw/zinc/66/50/19/655665019.db2.gz MRURXFKCLQSWRO-HNNXBMFYSA-N 1 0 376.507 2.659 20 0 GFADRO C[C@@H]1C[C@H](C)[N@H+](CN2C(=O)N[C@@](C)(c3ccccc3Br)C2=O)C1 ZINC000740857942 655699879 /nfs/dbraw/zinc/69/98/79/655699879.db2.gz BNNLOTWKFPLBDQ-PEBVRCNWSA-N 1 0 380.286 2.904 20 0 GFADRO COc1cc(C[NH2+][C@H](CCO)C2CC2)cc(I)c1OC ZINC000741258559 655704399 /nfs/dbraw/zinc/70/43/99/655704399.db2.gz OPPDDNYZAIYGSL-CYBMUJFWSA-N 1 0 391.249 2.559 20 0 GFADRO C[NH+]1CCC2(CCN2C(=O)/C=C/c2ccc(I)o2)CC1 ZINC000742185978 655711534 /nfs/dbraw/zinc/71/15/34/655711534.db2.gz OGFDKLDKFDHTPP-HWKANZROSA-N 1 0 386.233 2.594 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)COc2ccc(C=O)cc2Br)[C@H](C)C1 ZINC000742704097 655720390 /nfs/dbraw/zinc/72/03/90/655720390.db2.gz JUKBZIBKPAIDGT-CZUORRHYSA-N 1 0 397.313 2.829 20 0 GFADRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)COc1ccc(C=O)cc1Br ZINC000742714400 655720408 /nfs/dbraw/zinc/72/04/08/655720408.db2.gz JJBKDKBNDPPPHI-HNNXBMFYSA-N 1 0 397.313 2.973 20 0 GFADRO C[C@H](CN1CC[NH+](C)CC1)NC(=S)N[C@H](C)c1ccc(Br)cc1 ZINC000840728269 661179443 /nfs/dbraw/zinc/17/94/43/661179443.db2.gz VHYHURCRFSLPAM-ZIAGYGMSSA-N 1 0 399.402 2.610 20 0 GFADRO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]CCc1ccccc1C ZINC000743670997 655730681 /nfs/dbraw/zinc/73/06/81/655730681.db2.gz KYLYAFSPJFPEEJ-INIZCTEOSA-N 1 0 381.929 2.845 20 0 GFADRO CSc1nc2ccc(NC(=O)C(=O)N[C@@H]3CC[N@H+](C)[C@H](C)C3)cc2s1 ZINC000743930395 655732709 /nfs/dbraw/zinc/73/27/09/655732709.db2.gz FHLIZQHHCFNZST-ZYHUDNBSSA-N 1 0 378.523 2.556 20 0 GFADRO C[C@H]1C[C@H](NC(=O)C(=O)Nc2ccccc2SC(F)(F)F)CC[N@@H+]1C ZINC000743930772 655732880 /nfs/dbraw/zinc/73/28/80/655732880.db2.gz ISBMWZKQBKWLRT-WDEREUQCSA-N 1 0 375.416 2.836 20 0 GFADRO O=S(=O)(CC[NH2+][C@H]1CCC[C@@H](c2ccc(Cl)cc2)C1)N1CCOCC1 ZINC000840728991 661179900 /nfs/dbraw/zinc/17/99/00/661179900.db2.gz YCOHLWZPSKWXQY-AEFFLSMTSA-N 1 0 386.945 2.618 20 0 GFADRO O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)c1ccc(C(F)(F)F)nc1Cl ZINC000746220358 655759068 /nfs/dbraw/zinc/75/90/68/655759068.db2.gz ULPUZCAJYWVXGH-LLVKDONJSA-N 1 0 377.794 2.737 20 0 GFADRO COC(=O)/C(C)=C\C[NH+]1CCC(C(=O)Nc2ccc(Br)cn2)CC1 ZINC000746504070 655762788 /nfs/dbraw/zinc/76/27/88/655762788.db2.gz XQMNBDLDPOWQDA-XGICHPGQSA-N 1 0 396.285 2.614 20 0 GFADRO CC[NH+](CC)CCO[C@@H]1CCN(c2ccc(S(=O)(=O)C(F)F)cc2)C1 ZINC000747226383 655774212 /nfs/dbraw/zinc/77/42/12/655774212.db2.gz HDBOEXXYDDTEPR-OAHLLOKOSA-N 1 0 376.469 2.620 20 0 GFADRO O=C(CSCc1ccc(Br)cc1)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000747236434 655774873 /nfs/dbraw/zinc/77/48/73/655774873.db2.gz MTIADOHPHZNIQE-HZPDHXFCSA-N 1 0 399.354 2.662 20 0 GFADRO O=S(=O)(NC1CC[NH+](C[C@H]2CC2(Cl)Cl)CC1)c1ccc(F)cc1 ZINC000747670158 655781673 /nfs/dbraw/zinc/78/16/73/655781673.db2.gz LAMVWPLZTINVEG-LLVKDONJSA-N 1 0 381.300 2.762 20 0 GFADRO C[C@@H](NC(=S)NCCN1CCC[N@H+](C)CC1)c1ccc(Br)cc1 ZINC000840719082 661178514 /nfs/dbraw/zinc/17/85/14/661178514.db2.gz CYOUHQKMKQUKRI-CQSZACIVSA-N 1 0 399.402 2.612 20 0 GFADRO Cc1ccc(/C=C/C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)c(Br)c1 ZINC000749510197 655805501 /nfs/dbraw/zinc/80/55/01/655805501.db2.gz XTDUNKKZZOWVJR-APHBUQMISA-N 1 0 393.325 2.951 20 0 GFADRO CN(C)c1cc[nH+]c(NC(=O)/C=C/c2ccc(I)o2)c1 ZINC000753003312 655849126 /nfs/dbraw/zinc/84/91/26/655849126.db2.gz FTGAOEYMBZEOKM-GQCTYLIASA-N 1 0 383.189 2.997 20 0 GFADRO COC(=O)[C@@H]1CN(C(=S)Nc2ccc(Cl)c(Cl)c2)CC[N@H+](C)C1 ZINC000840855949 661195831 /nfs/dbraw/zinc/19/58/31/661195831.db2.gz OZLGSPFYBNVSHM-JTQLQIEISA-N 1 0 376.309 2.727 20 0 GFADRO C[NH+](C)C[C@@H]1CN(C(=O)c2scnc2Br)c2ccccc2O1 ZINC000754357012 655866785 /nfs/dbraw/zinc/86/67/85/655866785.db2.gz CHWFAPGHCXIHRQ-SNVBAGLBSA-N 1 0 382.283 2.875 20 0 GFADRO O=C(C[NH2+][C@@H](CCO)c1cccs1)Nc1ccnn1Cc1cccs1 ZINC000754381258 655867065 /nfs/dbraw/zinc/86/70/65/655867065.db2.gz CMEIZERSNNDUFK-AWEZNQCLSA-N 1 0 376.507 2.706 20 0 GFADRO CN(CCOc1ccc(Cl)cc1)C(=O)C[NH2+][C@@H](CCO)c1cccs1 ZINC000754397861 655867313 /nfs/dbraw/zinc/86/73/13/655867313.db2.gz XOTXRBRWTYKJSB-INIZCTEOSA-N 1 0 382.913 2.952 20 0 GFADRO Cc1cc(Br)ncc1NC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000754460247 655868292 /nfs/dbraw/zinc/86/82/92/655868292.db2.gz RXOSCMXHDPQRNP-ZDUSSCGKSA-N 1 0 397.317 2.775 20 0 GFADRO C[C@@H](Cc1cc(Br)ccc1F)NC(=S)NCCC[NH+](C)C ZINC000754690488 655871518 /nfs/dbraw/zinc/87/15/18/655871518.db2.gz AVYYVVKGRWVSPJ-NSHDSACASA-N 1 0 376.339 2.935 20 0 GFADRO Clc1ccc(-n2cc(CNC[C@H]3C[N@@H+]4CCC[C@@H]4CO3)nn2)c(Cl)c1 ZINC000756025590 655893486 /nfs/dbraw/zinc/89/34/86/655893486.db2.gz MKPQWUGZEOXHTK-CABCVRRESA-N 1 0 382.295 2.527 20 0 GFADRO COC(=O)c1cc(S(=O)(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)ccc1Cl ZINC000757495080 655912700 /nfs/dbraw/zinc/91/27/00/655912700.db2.gz KMMZESWEOBWGIV-HNNXBMFYSA-N 1 0 390.933 2.771 20 0 GFADRO CC(C)(NC(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccccc1Br ZINC000757642530 655913947 /nfs/dbraw/zinc/91/39/47/655913947.db2.gz SVAJSPICSMBGPK-KBPBESRZSA-N 1 0 396.329 2.847 20 0 GFADRO CC(C)[C@H](C[NH2+]Cc1ccc(S(C)(=O)=O)s1)NC(=O)OC(C)(C)C ZINC000840896555 661202826 /nfs/dbraw/zinc/20/28/26/661202826.db2.gz FDOSBMZEVVWTEG-ZDUSSCGKSA-N 1 0 376.544 2.791 20 0 GFADRO COC(=O)N1CCC([NH2+]CCc2cn3cc(Br)cc(C)c3n2)CC1 ZINC000757955819 655920041 /nfs/dbraw/zinc/92/00/41/655920041.db2.gz GCUVSIBRAKRVEN-UHFFFAOYSA-N 1 0 395.301 2.768 20 0 GFADRO O=C(c1cccnc1I)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000758011783 655921538 /nfs/dbraw/zinc/92/15/38/655921538.db2.gz CZKOYUZBXMUTFT-CYBMUJFWSA-N 1 0 399.276 2.777 20 0 GFADRO O=C(C[C@H]1CSCCS1)NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000758101272 655922987 /nfs/dbraw/zinc/92/29/87/655922987.db2.gz NYDMUWMHULBDDR-SJORKVTESA-N 1 0 382.620 2.959 20 0 GFADRO O=C(C[C@@H]1CSCCS1)NC[C@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000758101267 655923059 /nfs/dbraw/zinc/92/30/59/655923059.db2.gz NYDMUWMHULBDDR-DLBZAZTESA-N 1 0 382.620 2.959 20 0 GFADRO O=C(c1cccnc1I)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000758227536 655926706 /nfs/dbraw/zinc/92/67/06/655926706.db2.gz VPFNITXBLPBZCO-CYBMUJFWSA-N 1 0 399.276 2.777 20 0 GFADRO CS(=O)(=O)c1ccc(C[NH2+]C[C@H](O)c2cccc(Br)c2)s1 ZINC000840905774 661204621 /nfs/dbraw/zinc/20/46/21/661204621.db2.gz AMBZZIOCNZGRRA-ZDUSSCGKSA-N 1 0 390.324 2.737 20 0 GFADRO CC[N@@H+]1CC[C@H](CNC(=O)Nc2cccc(F)c2I)C1 ZINC000760003754 655967369 /nfs/dbraw/zinc/96/73/69/655967369.db2.gz MNWXLHIYQRIAJI-SNVBAGLBSA-N 1 0 391.228 2.894 20 0 GFADRO CS[C@H]1CN(C(=O)c2c(C)nn(-c3ccccc3)c2Cl)C[C@@H]1[NH+](C)C ZINC000760209549 655972603 /nfs/dbraw/zinc/97/26/03/655972603.db2.gz SMMUWGFGTJHJHO-GJZGRUSLSA-N 1 0 378.929 2.952 20 0 GFADRO O=C(CCCC[NH+]1CCCC1)NC[C@H](CO)Cc1ccc(Br)cc1 ZINC000760573844 655985617 /nfs/dbraw/zinc/98/56/17/655985617.db2.gz IRPVOGBBIHWDOT-QGZVFWFLSA-N 1 0 397.357 2.982 20 0 GFADRO Cc1ccc(Br)c(NC(=O)C(=O)NC[C@@H](C)[NH+]2CCCCC2)c1 ZINC000761894454 656023967 /nfs/dbraw/zinc/02/39/67/656023967.db2.gz FMGGJUPUKRLHTA-CYBMUJFWSA-N 1 0 382.302 2.687 20 0 GFADRO Cc1cc(S(=O)(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cnc1Cl ZINC000761940145 656025739 /nfs/dbraw/zinc/02/57/39/656025739.db2.gz MAYXGXLUXPAZSG-INIZCTEOSA-N 1 0 379.913 2.938 20 0 GFADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)Nc1ccc(Cl)cc1OC(F)F ZINC000762956037 656066492 /nfs/dbraw/zinc/06/64/92/656066492.db2.gz RVGFTVLCTCBGLG-RYUDHWBXSA-N 1 0 375.803 2.926 20 0 GFADRO C[NH+](C)CCCOC1CCN(C(=O)N[C@@H]2CC[C@@H]3SCCS[C@H]23)CC1 ZINC000763067602 656070715 /nfs/dbraw/zinc/07/07/15/656070715.db2.gz VINPZVBEZCMWGC-IXDOHACOSA-N 1 0 387.615 2.508 20 0 GFADRO CS(=O)(=O)CC1(C[NH2+]Cc2cnn(Cc3ccccc3)c2Cl)CCC1 ZINC000840974479 661223020 /nfs/dbraw/zinc/22/30/20/661223020.db2.gz BOBBWFLLNHNLBY-UHFFFAOYSA-N 1 0 381.929 2.889 20 0 GFADRO [NH3+]C[C@H]1CC[C@H](CNC(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)CC1 ZINC000841013296 661226356 /nfs/dbraw/zinc/22/63/56/661226356.db2.gz NTZKXVHFWOESLV-HAQNSBGRSA-N 1 0 375.441 2.570 20 0 GFADRO O=C(NCCC1=CC[NH2+]CC1)Nc1cc2c(cc1Br)OCCO2 ZINC000841016718 661228703 /nfs/dbraw/zinc/22/87/03/661228703.db2.gz WXEVJEBONDBYSZ-UHFFFAOYSA-N 1 0 382.258 2.652 20 0 GFADRO COc1ccc(Br)c(C(=O)NCCC[NH2+][C@H](C)C[C@H]2CCOC2)c1 ZINC000765886643 656154067 /nfs/dbraw/zinc/15/40/67/656154067.db2.gz VDAHPQRVJYADNA-ZIAGYGMSSA-N 1 0 399.329 2.982 20 0 GFADRO COCCC[C@@H]([NH2+]C[C@@H](O)c1cnn(C)c1)c1ccc(Br)cc1 ZINC000766183881 656164150 /nfs/dbraw/zinc/16/41/50/656164150.db2.gz MCTZAGXPFIZMIT-IAGOWNOFSA-N 1 0 382.302 2.974 20 0 GFADRO COc1cc([C@@H](C)[NH2+]CCN2CC[C@H](C)C2)ccc1S(=O)(=O)C(F)F ZINC000766380005 656170129 /nfs/dbraw/zinc/17/01/29/656170129.db2.gz BKNYGWYRYOEWIS-QWHCGFSZSA-N 1 0 376.469 2.684 20 0 GFADRO Ic1ccccc1C[NH2+]CCc1cn2c(n1)SCC2 ZINC000767187927 656195971 /nfs/dbraw/zinc/19/59/71/656195971.db2.gz BWDYKHJPQMHCKM-UHFFFAOYSA-N 1 0 385.274 2.926 20 0 GFADRO C[C@@H]1CN(C(=O)Nc2cnc(Br)c(Br)c2)[C@@H](C)C[NH2+]1 ZINC000841141776 661236984 /nfs/dbraw/zinc/23/69/84/661236984.db2.gz KNENUDYVGJTSDL-SFYZADRCSA-N 1 0 392.095 2.821 20 0 GFADRO CC[NH2+]CCCNC(=O)C(=O)Nc1ccc2cc(Br)ccc2c1 ZINC000841152758 661239457 /nfs/dbraw/zinc/23/94/57/661239457.db2.gz MPGWDNWGRCAXDL-UHFFFAOYSA-N 1 0 378.270 2.657 20 0 GFADRO C[C@@H]([NH2+]CCS(=O)(=O)C(C)(C)C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000768226278 656235203 /nfs/dbraw/zinc/23/52/03/656235203.db2.gz KDJYKXATZORXGI-CQSZACIVSA-N 1 0 376.563 2.825 20 0 GFADRO C[NH+](C)[C@@H](CNC(=S)NC[C@H]1CCCO1)c1cccc(C(F)(F)F)c1 ZINC000768786006 656251271 /nfs/dbraw/zinc/25/12/71/656251271.db2.gz QEPJCHDXYOKJHU-CABCVRRESA-N 1 0 375.460 2.951 20 0 GFADRO O=C(c1ccc(Br)nc1)N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000769277473 656269023 /nfs/dbraw/zinc/26/90/23/656269023.db2.gz TYKYSADPXLMPDK-HNNXBMFYSA-N 1 0 382.302 2.561 20 0 GFADRO CC[C@H]1CN(C(=O)C(=O)Nc2ccc3nc(SC)sc3c2)CC[C@@H]1[NH3+] ZINC000841227707 661246142 /nfs/dbraw/zinc/24/61/42/661246142.db2.gz LTPJBYMCIBSHTR-JQWIXIFHSA-N 1 0 378.523 2.543 20 0 GFADRO CCOC(=O)N1CC[C@H]([NH2+]Cc2cnc3c(C)cc(Br)cn23)C1 ZINC000769938722 656301731 /nfs/dbraw/zinc/30/17/31/656301731.db2.gz HEVNXHFPNIYWRH-ZDUSSCGKSA-N 1 0 381.274 2.726 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)NCC[N@H+]2CCC[C@@H]2C)c(Br)c1 ZINC000770272550 656313966 /nfs/dbraw/zinc/31/39/66/656313966.db2.gz SJBIAODJYWKOLQ-ZDUSSCGKSA-N 1 0 382.302 2.605 20 0 GFADRO C[NH+](C)CCOc1ccc(CCNC(=O)c2cccc(Br)n2)cc1 ZINC000770293594 656315371 /nfs/dbraw/zinc/31/53/71/656315371.db2.gz MFMDBFSCDRQPST-UHFFFAOYSA-N 1 0 392.297 2.757 20 0 GFADRO Ic1ccccc1C[N@@H+]1CCC[C@H](Cn2ccnn2)C1 ZINC000770383577 656317803 /nfs/dbraw/zinc/31/78/03/656317803.db2.gz PMOPMQYDTGCYSP-ZDUSSCGKSA-N 1 0 382.249 2.795 20 0 GFADRO Ic1ccccc1C[N@@H+]1CCC[C@@H](Cn2ccnn2)C1 ZINC000770383575 656317998 /nfs/dbraw/zinc/31/79/98/656317998.db2.gz PMOPMQYDTGCYSP-CYBMUJFWSA-N 1 0 382.249 2.795 20 0 GFADRO [NH3+]C[C@H]1CC[C@H](NC(=O)C(=O)Nc2cccc(Cl)c2SC(F)F)C1 ZINC000841260699 661250283 /nfs/dbraw/zinc/25/02/83/661250283.db2.gz JDXDDWXNECWLAG-IUCAKERBSA-N 1 0 377.844 2.837 20 0 GFADRO O=C(NC[C@@H](O)c1ccccc1Br)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000841303390 661251711 /nfs/dbraw/zinc/25/17/11/661251711.db2.gz DIIXYVNSQIOHFY-QGZVFWFLSA-N 1 0 390.281 2.950 20 0 GFADRO O=C(NC[C@H](O)c1c(Cl)cccc1Cl)Nc1cnc2c(c1)C[NH2+]CC2 ZINC000841321392 661252119 /nfs/dbraw/zinc/25/21/19/661252119.db2.gz IEVIJQFKJWTXSL-HNNXBMFYSA-N 1 0 381.263 2.889 20 0 GFADRO CC[NH+](CC)CCN(CC(C)C)c1ncnc2c1c(Br)nn2C ZINC000772950309 656395171 /nfs/dbraw/zinc/39/51/71/656395171.db2.gz OCEQYPBQIJKGLF-UHFFFAOYSA-N 1 0 383.338 2.930 20 0 GFADRO CC[N@@H+]1CCCN(C(=O)c2cc(=O)c3cc(Br)ccc3o2)CC1 ZINC000841391081 661258746 /nfs/dbraw/zinc/25/87/46/661258746.db2.gz LHMXNUVSCUUREI-UHFFFAOYSA-N 1 0 379.254 2.723 20 0 GFADRO O=S(=O)(CC[NH2+][C@H]1CCc2c1cc(Br)cc2F)CC1CC1 ZINC000773065626 656398361 /nfs/dbraw/zinc/39/83/61/656398361.db2.gz MRQTVKASENVLDK-HNNXBMFYSA-N 1 0 376.291 2.990 20 0 GFADRO COc1cc(Cl)ccc1NC(=O)C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000773145537 656401174 /nfs/dbraw/zinc/40/11/74/656401174.db2.gz NBQNMBIKCLMKPA-ZDUSSCGKSA-N 1 0 381.885 2.768 20 0 GFADRO Cc1nc(SC2CCCC2)sc1CC(=O)NCC[NH+]1CCC(O)CC1 ZINC000841438760 661265809 /nfs/dbraw/zinc/26/58/09/661265809.db2.gz CTMKGYYHWIMCAM-UHFFFAOYSA-N 1 0 383.583 2.602 20 0 GFADRO NS(=O)(=O)c1ccc(CC[N@H+]2CC=C(c3ccc(Cl)nc3)CC2)cc1 ZINC000773664324 656468195 /nfs/dbraw/zinc/46/81/95/656468195.db2.gz FJDVGGYFLRDENF-UHFFFAOYSA-N 1 0 377.897 2.714 20 0 GFADRO COc1cc(NC(=O)c2n[nH]c(C)c2Br)ccc1OCC[NH+](C)C ZINC000841465260 661268048 /nfs/dbraw/zinc/26/80/48/661268048.db2.gz BWDILLXDIRQQHG-UHFFFAOYSA-N 1 0 397.273 2.682 20 0 GFADRO Cc1cc(Br)ncc1NC(=O)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000774253379 656509797 /nfs/dbraw/zinc/50/97/97/656509797.db2.gz TYOZIHDMPGBQHU-ZDUSSCGKSA-N 1 0 399.333 2.574 20 0 GFADRO C[C@H](CNC(=O)C(=O)NCCc1ccc(Cl)cc1Cl)[NH+]1CCCCC1 ZINC000774725967 656549990 /nfs/dbraw/zinc/54/99/90/656549990.db2.gz SNSHJCLEIWNJES-CYBMUJFWSA-N 1 0 386.323 2.643 20 0 GFADRO C[NH+]1CCC(N(CCO)Cc2nc3ccc(Br)cc3s2)CC1 ZINC000774813230 656559080 /nfs/dbraw/zinc/55/90/80/656559080.db2.gz DDNOEUZNFAPNKT-UHFFFAOYSA-N 1 0 384.343 2.947 20 0 GFADRO CCO[C@H](CC[NH+](C)C)CNS(=O)(=O)c1ccc2sc(Cl)nc2c1 ZINC000841503514 661276877 /nfs/dbraw/zinc/27/68/77/661276877.db2.gz PCUJPHLVAQCVSC-LLVKDONJSA-N 1 0 391.946 2.585 20 0 GFADRO CNS(=O)(=O)c1cccc(C[NH2+]Cc2cc(C)cc(Br)c2)c1 ZINC000774976670 656578376 /nfs/dbraw/zinc/57/83/76/656578376.db2.gz JDTBLYNVPKASMF-UHFFFAOYSA-N 1 0 383.311 2.955 20 0 GFADRO CC[NH+](CC)CCOCCNS(=O)(=O)c1ccc2sc(Cl)nc2c1 ZINC000841513500 661282268 /nfs/dbraw/zinc/28/22/68/661282268.db2.gz OTEXYXLCXAAGGJ-UHFFFAOYSA-N 1 0 391.946 2.586 20 0 GFADRO C[C@H]([NH2+]C(C)(C)CNC(=O)C(=O)NC[C@@H]1CC1(Cl)Cl)c1ccccc1 ZINC000775156818 656605047 /nfs/dbraw/zinc/60/50/47/656605047.db2.gz AOTRGRPXOKAVRE-JSGCOSHPSA-N 1 0 386.323 2.542 20 0 GFADRO Cc1[nH]nc(C(=O)Nc2ccccc2C[NH+]2CCC(O)CC2)c1Br ZINC000775553028 656649033 /nfs/dbraw/zinc/64/90/33/656649033.db2.gz QUWWNVUJFZSVFW-UHFFFAOYSA-N 1 0 393.285 2.690 20 0 GFADRO CC(C)(O)C[N@H+](C[C@H](O)c1ccc(F)c(Br)c1)C1CCOCC1 ZINC000775614603 656657338 /nfs/dbraw/zinc/65/73/38/656657338.db2.gz HKKYWLDAQZXRHR-INIZCTEOSA-N 1 0 390.293 2.874 20 0 GFADRO O=C1C[C@H]([C@@H]2CCCC[N@H+]2C[C@H](O)c2ccc(F)c(Br)c2)CN1 ZINC000775645282 656658868 /nfs/dbraw/zinc/65/88/68/656658868.db2.gz AQEIMYDRLJFPSO-RCBQFDQVSA-N 1 0 385.277 2.612 20 0 GFADRO O=C(NCC[NH2+]Cc1cc2c(cc1Br)OCO2)c1ccc(F)cc1 ZINC000776044821 656705690 /nfs/dbraw/zinc/70/56/90/656705690.db2.gz MNXLPMXSCRTFDF-UHFFFAOYSA-N 1 0 395.228 2.837 20 0 GFADRO O=S(=O)(N1CCC(C[NH2+]Cc2nc3c(s2)CCCC3)CC1)C(F)(F)F ZINC000776351965 656732235 /nfs/dbraw/zinc/73/22/35/656732235.db2.gz BAALVWAMLCQZCM-UHFFFAOYSA-N 1 0 397.488 2.673 20 0 GFADRO OC[C@]1([NH2+][C@@H]2CC[C@@H]3SCCS[C@@H]23)CCCN(Cc2ccccc2)C1 ZINC000777027314 656804151 /nfs/dbraw/zinc/80/41/51/656804151.db2.gz WUEUUYAIRFCPJK-FYQPLNBISA-N 1 0 378.607 2.983 20 0 GFADRO CC(Cl)(Cl)C(=O)OCC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000777219260 656814624 /nfs/dbraw/zinc/81/46/24/656814624.db2.gz PIPXJGLMSDUSNK-UHFFFAOYSA-N 1 0 391.320 2.911 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CNC(=S)N1CCC2(CC1)OCCc1ccsc12 ZINC000778530957 656883927 /nfs/dbraw/zinc/88/39/27/656883927.db2.gz USQWFMDFGSOCLZ-MRXNPFEDSA-N 1 0 379.595 2.971 20 0 GFADRO Cc1ccccc1C[N@@H+]1CCCN(C(=O)Cn2ccc(Br)n2)CC1 ZINC000778557312 656884703 /nfs/dbraw/zinc/88/47/03/656884703.db2.gz HTFNOCFHOZSPNW-UHFFFAOYSA-N 1 0 391.313 2.689 20 0 GFADRO COC(=O)C1=C(C)O[C@H](C[NH2+]C(C)(C)COc2ncccc2Br)C1 ZINC000779603053 656933413 /nfs/dbraw/zinc/93/34/13/656933413.db2.gz CTPSEWQORUEWFI-LBPRGKRZSA-N 1 0 399.285 2.827 20 0 GFADRO C[C@H]1CN(Cn2nc(Cc3cccs3)oc2=S)CC[N@@H+]1CC(C)(C)O ZINC000780504058 657009662 /nfs/dbraw/zinc/00/96/62/657009662.db2.gz OFRXSSVNLHKEFJ-ZDUSSCGKSA-N 1 0 382.555 2.592 20 0 GFADRO C[NH+](C)CCN(CCc1ccccc1)C(=O)Nc1ccncc1Br ZINC000780630792 657019467 /nfs/dbraw/zinc/01/94/67/657019467.db2.gz PVOJNDJEMCXXBL-UHFFFAOYSA-N 1 0 391.313 2.904 20 0 GFADRO Cc1ccc(S(=O)(=O)NC[C@H](C)[NH+]2CCCCC2)cc1Br ZINC000780717498 657025487 /nfs/dbraw/zinc/02/54/87/657025487.db2.gz FSIQRBPQLDUKNK-ZDUSSCGKSA-N 1 0 375.332 2.910 20 0 GFADRO COc1cc(Br)cc(S(=O)(=O)NC[C@H](C)[NH+]2CCCCC2)c1 ZINC000780716936 657025528 /nfs/dbraw/zinc/02/55/28/657025528.db2.gz ADCJHYGGZGQBOH-LBPRGKRZSA-N 1 0 391.331 2.610 20 0 GFADRO COc1ccc2nc(Cl)ccc2c1S(=O)(=O)NCC[N@@H+]1CCC[C@H]1C ZINC000780866702 657033868 /nfs/dbraw/zinc/03/38/68/657033868.db2.gz KSLIYGAHOIOZRB-GFCCVEGCSA-N 1 0 383.901 2.659 20 0 GFADRO COCC[N@H+](C)CCOc1cccc(CNC(=O)c2csc(Cl)n2)c1 ZINC000781921135 657089513 /nfs/dbraw/zinc/08/95/13/657089513.db2.gz TYIOHPYHGNUMLV-UHFFFAOYSA-N 1 0 383.901 2.684 20 0 GFADRO COc1ccc(C(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)nc1Br ZINC000782003216 657095430 /nfs/dbraw/zinc/09/54/30/657095430.db2.gz UNVUAKKFFWMZRC-CYBMUJFWSA-N 1 0 382.302 2.657 20 0 GFADRO Cc1cc(NC(=O)c2ccnc(OCC[NH+](C)C)c2)cnc1Br ZINC000783627359 657248195 /nfs/dbraw/zinc/24/81/95/657248195.db2.gz CZZWQUOOXYWTKO-UHFFFAOYSA-N 1 0 379.258 2.740 20 0 GFADRO CN1CCC([N@@H+]2CC[C@@H](NC(=S)Nc3ccc(Br)cc3)C2)CC1 ZINC000783738100 657256840 /nfs/dbraw/zinc/25/68/40/657256840.db2.gz PAQVTIBDDOLZRA-OAHLLOKOSA-N 1 0 397.386 2.904 20 0 GFADRO Cc1c(C(=O)NCC[N@H+]2CCC[C@@H]2C)nnn1-c1cccc(Br)c1 ZINC000783917686 657272932 /nfs/dbraw/zinc/27/29/32/657272932.db2.gz NGIQMYRCYADYBD-LBPRGKRZSA-N 1 0 392.301 2.552 20 0 GFADRO CCc1c(Cl)nc(CS(C)(=O)=O)nc1NCC[C@@H](C)[NH+]1CCCCC1 ZINC000784253823 657298048 /nfs/dbraw/zinc/29/80/48/657298048.db2.gz HCNGNOLTWZTTJU-CYBMUJFWSA-N 1 0 388.965 2.913 20 0 GFADRO CCc1c(Cl)nc(CS(C)(=O)=O)nc1NCC[C@H](C)[NH+]1CCCCC1 ZINC000784253824 657298076 /nfs/dbraw/zinc/29/80/76/657298076.db2.gz HCNGNOLTWZTTJU-ZDUSSCGKSA-N 1 0 388.965 2.913 20 0 GFADRO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]C[C@H]1CCCCS1 ZINC000784618866 657319311 /nfs/dbraw/zinc/31/93/11/657319311.db2.gz UVPWJWBEOCWSCJ-QWHCGFSZSA-N 1 0 377.963 2.580 20 0 GFADRO CC[NH+](CC)CCOC(=O)COc1cccc(I)c1 ZINC000785282755 657351484 /nfs/dbraw/zinc/35/14/84/657351484.db2.gz KMMMVPLXILGNCP-UHFFFAOYSA-N 1 0 377.222 2.555 20 0 GFADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1S(=O)(=O)/C=C\c1ccc(Cl)cc1 ZINC000785311447 657354283 /nfs/dbraw/zinc/35/42/83/657354283.db2.gz RWHUFCJTJCMURH-JEMSNHSXSA-N 1 0 384.929 2.826 20 0 GFADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1S(=O)(=O)/C=C\c1ccccc1Cl ZINC000785314990 657354713 /nfs/dbraw/zinc/35/47/13/657354713.db2.gz QRVMMVJDVGTRCS-ODDCISTRSA-N 1 0 384.929 2.826 20 0 GFADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NCc1cc(Br)nn1C ZINC000785423601 657363573 /nfs/dbraw/zinc/36/35/73/657363573.db2.gz NYAJZKADZOSWRH-UHFFFAOYSA-N 1 0 378.318 2.855 20 0 GFADRO CCN(CC)C(=O)c1ccc(C[NH2+]Cc2cc(Br)nn2C)cc1 ZINC000785420097 657363712 /nfs/dbraw/zinc/36/37/12/657363712.db2.gz JZXPZJJATCJTIB-UHFFFAOYSA-N 1 0 379.302 2.954 20 0 GFADRO CC[NH+]1CCC(NC(=O)NCc2ccc(C(=O)OC)cc2Br)CC1 ZINC000785581019 657376899 /nfs/dbraw/zinc/37/68/99/657376899.db2.gz KTHILGNFBMHPRK-UHFFFAOYSA-N 1 0 398.301 2.519 20 0 GFADRO COC(=O)c1ccc(CNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)c(Br)c1 ZINC000785849712 657389763 /nfs/dbraw/zinc/38/97/63/657389763.db2.gz OFTLRQXBCBQFBM-VXGBXAGGSA-N 1 0 383.286 2.725 20 0 GFADRO O=C(COC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)Nc1ccc(Br)cn1 ZINC000786887280 657481737 /nfs/dbraw/zinc/48/17/37/657481737.db2.gz YDGPYPLVXUFGQX-CQSZACIVSA-N 1 0 396.285 2.733 20 0 GFADRO CCOC(=O)C(F)(F)[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(S(C)(=O)=O)s2)C1 ZINC000786960513 657496384 /nfs/dbraw/zinc/49/63/84/657496384.db2.gz JLRXZRREHXMDRI-VXGBXAGGSA-N 1 0 395.493 2.998 20 0 GFADRO COC(=O)CC[N@@H+]1CCN(Cc2ccc(Cl)nc2C(F)(F)F)[C@@H](C)C1 ZINC000787277179 657537261 /nfs/dbraw/zinc/53/72/61/657537261.db2.gz APQXQFXEUZXVOB-NSHDSACASA-N 1 0 379.810 2.823 20 0 GFADRO COc1cc(C(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)cnc1Br ZINC000788207208 657671803 /nfs/dbraw/zinc/67/18/03/657671803.db2.gz PUXMEGHMKVBKKD-CQSZACIVSA-N 1 0 382.302 2.943 20 0 GFADRO CC(C)(CNC(=O)c1cc(Br)n[nH]1)[N@@H+]1CCc2ccccc2C1 ZINC000788288563 657689904 /nfs/dbraw/zinc/68/99/04/657689904.db2.gz OWSSXRAEEWAXOF-UHFFFAOYSA-N 1 0 377.286 2.739 20 0 GFADRO C[NH+](C)Cc1ccc(S(=O)(=O)NC2CCN(c3cccs3)CC2)cc1 ZINC000788650538 657761917 /nfs/dbraw/zinc/76/19/17/657761917.db2.gz TWBJQTMRXKHNBT-UHFFFAOYSA-N 1 0 379.551 2.757 20 0 GFADRO C[C@H]1OC(=O)N[C@H]1C(=O)N(CCC[NH+](C)C)Cc1ccc(Cl)c(Cl)c1 ZINC000788650841 657762008 /nfs/dbraw/zinc/76/20/08/657762008.db2.gz PUCCZAQTKYXWIU-IAQYHMDHSA-N 1 0 388.295 2.771 20 0 GFADRO C[NH+](C)[C@@H](CNS(=O)(=O)c1c(Cl)nc2sccn21)C1CCCCC1 ZINC000788882948 657792962 /nfs/dbraw/zinc/79/29/62/657792962.db2.gz ZUWCMYCEXFZGSW-LBPRGKRZSA-N 1 0 390.962 2.838 20 0 GFADRO Cc1nn(C)c(Cl)c1S(=O)(=O)N[C@@H](C)[C@@H](c1ccccc1C)[NH+](C)C ZINC000788914342 657797078 /nfs/dbraw/zinc/79/70/78/657797078.db2.gz CDDNBVVLTUWCTB-WFASDCNBSA-N 1 0 384.933 2.660 20 0 GFADRO CN(CC[NH+]1CCCC1)C(=O)c1nc(Br)ccc1Br ZINC000790584771 658000072 /nfs/dbraw/zinc/00/00/72/658000072.db2.gz YOZUKKLDLVIKBX-UHFFFAOYSA-N 1 0 391.107 2.774 20 0 GFADRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)COc1ccc(C=O)cc1Br ZINC000791145874 658061473 /nfs/dbraw/zinc/06/14/73/658061473.db2.gz ODWRXCOMEDOTJM-INIZCTEOSA-N 1 0 397.313 2.877 20 0 GFADRO COC(=O)c1ccc(OC[C@H](O)C[N@@H+]2CC[C@@]3(C)[C@@H](C2)C3(Cl)Cl)cc1 ZINC000792901051 658327314 /nfs/dbraw/zinc/32/73/14/658327314.db2.gz JUYBEOGQOJSROI-UNEWFSDZSA-N 1 0 388.291 2.729 20 0 GFADRO COC(=O)/C=C1/SCC(=O)N1CCC[NH+]1CCC(CC(F)(F)F)CC1 ZINC000792934177 658331944 /nfs/dbraw/zinc/33/19/44/658331944.db2.gz TYNNMIXPMMZYKC-NTEUORMPSA-N 1 0 380.432 2.631 20 0 GFADRO CSC1(CNC(=O)[C@H](O)c2cc(Cl)cc(Cl)c2)CC[NH+](C)CC1 ZINC000793359649 658389609 /nfs/dbraw/zinc/38/96/09/658389609.db2.gz VDFVSYABSYVAQD-CQSZACIVSA-N 1 0 377.337 2.970 20 0 GFADRO Cc1cc([C@H](C)[NH2+][C@@H]2CCN(c3cccc(Br)c3)C2=O)n(C)n1 ZINC000793563542 658407592 /nfs/dbraw/zinc/40/75/92/658407592.db2.gz CVFVRYUBRWZWJE-SWLSCSKDSA-N 1 0 377.286 2.947 20 0 GFADRO COC(=O)c1ccc(C[N@@H+]2CCC[C@@H](C3OCCO3)C2)c(Br)c1 ZINC000793580430 658409833 /nfs/dbraw/zinc/40/98/33/658409833.db2.gz QMFWSZIHFDCVRX-CQSZACIVSA-N 1 0 384.270 2.821 20 0 GFADRO O=c1oc2cccc(Br)c2n1CN1CC[C@H]([NH+]2CCCCC2)C1 ZINC000794625640 658580543 /nfs/dbraw/zinc/58/05/43/658580543.db2.gz IQMIBZWDQHMOSC-ZDUSSCGKSA-N 1 0 380.286 2.875 20 0 GFADRO CCc1c(Cl)nc(CS(C)(=O)=O)nc1NC1CC([NH+]2CCCCC2)C1 ZINC000795260089 658778928 /nfs/dbraw/zinc/77/89/28/658778928.db2.gz CKAFQGFKYMKFAJ-UHFFFAOYSA-N 1 0 386.949 2.666 20 0 GFADRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1CN1Cc2ccc(Br)cc2C1=O ZINC000795709091 658843494 /nfs/dbraw/zinc/84/34/94/658843494.db2.gz XDVNXKWMUVAXIG-CZUORRHYSA-N 1 0 378.314 2.921 20 0 GFADRO CCCN(CC[NH+]1CCCC1)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F ZINC000796094864 658890013 /nfs/dbraw/zinc/89/00/13/658890013.db2.gz UMTGTYMDHIBFJJ-UHFFFAOYSA-N 1 0 386.386 2.879 20 0 GFADRO COCCS(=O)(=O)CCC[NH2+][C@H](C)c1ccc(Br)cc1F ZINC000796696491 658931610 /nfs/dbraw/zinc/93/16/10/658931610.db2.gz UGNWWOPAEMXYBL-LLVKDONJSA-N 1 0 382.295 2.690 20 0 GFADRO Cc1ccc(NC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)c(C[NH+](C)C)c1 ZINC000798327693 659094739 /nfs/dbraw/zinc/09/47/39/659094739.db2.gz SRRZUTQWDFNSTE-UHFFFAOYSA-N 1 0 381.885 2.610 20 0 GFADRO C[N@H+](C1CCCC1)C(C)(C)C(=O)OCc1cc(Cl)cc(S(N)(=O)=O)c1 ZINC000798645616 659132107 /nfs/dbraw/zinc/13/21/07/659132107.db2.gz CZIABWUPCCNCMB-UHFFFAOYSA-N 1 0 388.917 2.684 20 0 GFADRO Fc1ccc(Br)c2nccc(NC[C@@H]3C[N@@H+]4CCC[C@H]4CO3)c12 ZINC000799933931 659245944 /nfs/dbraw/zinc/24/59/44/659245944.db2.gz GPVMNLAGCTTWGB-NWDGAFQWSA-N 1 0 380.261 2.833 20 0 GFADRO CC[NH+](CC)CCCOC(=O)c1ccc(N)cc1I ZINC000800180792 659287869 /nfs/dbraw/zinc/28/78/69/659287869.db2.gz ZPVJKYIPFNCUSS-UHFFFAOYSA-N 1 0 376.238 2.762 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2cc3c(cc2Cl)CCC3=O)C[C@@H]1C ZINC000800917293 659348183 /nfs/dbraw/zinc/34/81/83/659348183.db2.gz SMLOHKYCMXGKSS-JSGCOSHPSA-N 1 0 384.929 2.962 20 0 GFADRO CC[N@H+](C)Cc1cccc(CNC(=O)c2c(C)nn(C)c2Br)c1 ZINC000801089456 659367106 /nfs/dbraw/zinc/36/71/06/659367106.db2.gz LGOLWNVRZSSIPU-UHFFFAOYSA-N 1 0 379.302 2.873 20 0 GFADRO Nc1nccc([C@@H]2CCC[N@H+](C[C@H](O)c3ccccc3Br)C2)n1 ZINC000801551060 659403659 /nfs/dbraw/zinc/40/36/59/659403659.db2.gz MGFZKBFXCXESJV-WBMJQRKESA-N 1 0 377.286 2.734 20 0 GFADRO C[N@@H+]1CCCC[C@@H]1CCC(=O)O[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000803858820 659611218 /nfs/dbraw/zinc/61/12/18/659611218.db2.gz JIRCVMILUPYICD-GDBMZVCRSA-N 1 0 383.286 2.783 20 0 GFADRO CNC(=O)OC[C@H]1CCCC[N@@H+]1C[C@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000805828551 659808096 /nfs/dbraw/zinc/80/80/96/659808096.db2.gz KUVYBCHGFXLNNB-OLZOCXBDSA-N 1 0 391.295 2.944 20 0 GFADRO CNC(=O)OC[C@H]1CCCC[N@@H+]1C[C@H](O)COc1cc(Cl)ccc1Cl ZINC000805827645 659808239 /nfs/dbraw/zinc/80/82/39/659808239.db2.gz LSQLENZAGOBIHI-KGLIPLIRSA-N 1 0 391.295 2.944 20 0 GFADRO COc1nc(Br)ccc1NC(=O)N1CC[C@H]([NH+]2CCCC2)[C@H]1C ZINC000806451962 659832482 /nfs/dbraw/zinc/83/24/82/659832482.db2.gz WCUCHVSBFYCPTR-YPMHNXCESA-N 1 0 383.290 2.943 20 0 GFADRO C[NH+](C)CC(C)(C)CNC(=S)NC[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC000806594177 659836747 /nfs/dbraw/zinc/83/67/47/659836747.db2.gz NHSLRWAKLWGOBC-CQSZACIVSA-N 1 0 377.476 2.791 20 0 GFADRO CSCC[C@H](C)NC(=O)C(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000807052365 659847263 /nfs/dbraw/zinc/84/72/63/659847263.db2.gz GKSSATYCDQESTN-LZWOXQAQSA-N 1 0 383.583 2.505 20 0 GFADRO CC(=O)c1cc(Br)ccc1OCC(=O)NCC[N@H+]1CCC[C@H]1C ZINC000807271264 659850706 /nfs/dbraw/zinc/85/07/06/659850706.db2.gz RGCXSTUAVPHWQO-GFCCVEGCSA-N 1 0 383.286 2.631 20 0 GFADRO CCC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@H](O)c1cccc(Br)c1 ZINC000807551105 659858914 /nfs/dbraw/zinc/85/89/14/659858914.db2.gz ZNDFBUHSMUMZCN-HOTGVXAUSA-N 1 0 384.318 2.656 20 0 GFADRO CCC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@@H](O)c1cccc(Br)c1 ZINC000807549458 659858967 /nfs/dbraw/zinc/85/89/67/659858967.db2.gz ZNDFBUHSMUMZCN-JKSUJKDBSA-N 1 0 384.318 2.656 20 0 GFADRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1CN1Cc2cccc(Br)c2C1=O ZINC000808194394 659881479 /nfs/dbraw/zinc/88/14/79/659881479.db2.gz YBGYTUKKPCXDSD-CZUORRHYSA-N 1 0 378.314 2.921 20 0 GFADRO NS(=O)(=O)c1cc(C[NH2+]C[C@@H]2COC3(CCCCCC3)O2)ccc1Cl ZINC000809425541 659927629 /nfs/dbraw/zinc/92/76/29/659927629.db2.gz MPMVAPQFMDTBIT-CQSZACIVSA-N 1 0 388.917 2.543 20 0 GFADRO COC(=O)N1CCC(C[NH2+]Cc2nc3ccccn3c2Br)CC1 ZINC000809710555 659936888 /nfs/dbraw/zinc/93/68/88/659936888.db2.gz RZBVOQQLUVSYAZ-UHFFFAOYSA-N 1 0 381.274 2.665 20 0 GFADRO C[C@H]1C[C@@H](C(=O)N(C)CC(=O)Nc2ccccc2Br)CC[N@@H+]1C ZINC000809951215 659953180 /nfs/dbraw/zinc/95/31/80/659953180.db2.gz BLUMQVCUKQDEMN-STQMWFEESA-N 1 0 382.302 2.576 20 0 GFADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2cc(Cl)ncc2Br)C1 ZINC000809967267 659953976 /nfs/dbraw/zinc/95/39/76/659953976.db2.gz GMZZZEFSLNLWLV-NSHDSACASA-N 1 0 390.709 2.584 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)N[C@@H](CO)c2ccc(Br)cc2)C1 ZINC000810935470 659990712 /nfs/dbraw/zinc/99/07/12/659990712.db2.gz LRZXSJHFOJUQCM-WMLDXEAASA-N 1 0 387.293 2.811 20 0 GFADRO Cc1cc(Br)cn2cc(CCNC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)nc12 ZINC000811035263 659995327 /nfs/dbraw/zinc/99/53/27/659995327.db2.gz GEVBHOUMKYIYEH-KBPBESRZSA-N 1 0 393.329 2.794 20 0 GFADRO CCN(C[C@H](C)OC)CN1C(=O)N[C@](C)(c2ccc(Br)cc2)C1=O ZINC000812303338 660023174 /nfs/dbraw/zinc/02/31/74/660023174.db2.gz OTUSAAHMNOXSPJ-YVEFUNNKSA-N 1 0 398.301 2.530 20 0 GFADRO COc1ccc(CCC(=O)N2C[C@@H]3CC[N@H+](C)C[C@@H]3C2)cc1Br ZINC000812327125 660024007 /nfs/dbraw/zinc/02/40/07/660024007.db2.gz CXCAYTXODPYGGL-LSDHHAIUSA-N 1 0 381.314 2.800 20 0 GFADRO Cc1c(I)cccc1C(=O)N1C[C@@H]2C[N@H+](C)CC[C@@H]2C1 ZINC000812334227 660024666 /nfs/dbraw/zinc/02/46/66/660024666.db2.gz MJMSICJQWANFTF-OLZOCXBDSA-N 1 0 384.261 2.623 20 0 GFADRO Cc1csc(C(=O)N2C[C@@H]3C[N@H+](C)CC[C@@H]3C2)c1I ZINC000812338909 660024885 /nfs/dbraw/zinc/02/48/85/660024885.db2.gz QDQODTBMDOTUKH-MNOVXSKESA-N 1 0 390.290 2.685 20 0 GFADRO C[C@@H]([NH2+]CC[C@H]1CCOC1=O)c1ccc(Br)cc1OCCCO ZINC000812885313 660036151 /nfs/dbraw/zinc/03/61/51/660036151.db2.gz OUGIIEVTIIWRJI-OLZOCXBDSA-N 1 0 386.286 2.814 20 0 GFADRO C[NH+](C)C[C@H](NC(=O)Cc1cccnc1Br)c1ccc(F)cc1 ZINC000813618524 660058274 /nfs/dbraw/zinc/05/82/74/660058274.db2.gz LZNXAGFYKZYYBQ-HNNXBMFYSA-N 1 0 380.261 2.945 20 0 GFADRO C[N@@H+]1CC[C@@]2(CCN(S(=O)(=O)/C=C\c3cccc(Br)c3)C2)C1 ZINC000813760237 660063389 /nfs/dbraw/zinc/06/33/89/660063389.db2.gz PNYAQCZAANJPBH-MGDKSHQASA-N 1 0 385.327 2.777 20 0 GFADRO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)c2nc(C3CC3)ncc2Br)C1 ZINC000813813928 660065169 /nfs/dbraw/zinc/06/51/69/660065169.db2.gz BRVXDULDQUNMJM-ZDUSSCGKSA-N 1 0 393.329 2.920 20 0 GFADRO CC(C)[C@@H](C[NH+](C)C)NC(=O)c1ccn(-c2ccc(Br)cc2)n1 ZINC000815594459 660126303 /nfs/dbraw/zinc/12/63/03/660126303.db2.gz PDJPBSCENNYQSV-MRXNPFEDSA-N 1 0 379.302 2.951 20 0 GFADRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)c2cn3c(Br)cnc3s2)C1 ZINC000815784301 660131094 /nfs/dbraw/zinc/13/10/94/660131094.db2.gz WMDLEZPLYKKLSI-LLVKDONJSA-N 1 0 385.331 2.866 20 0 GFADRO C[NH+]1CCC([C@@H]2CCN(C(=O)c3cn4c(Br)cnc4s3)C2)CC1 ZINC000815874180 660133669 /nfs/dbraw/zinc/13/36/69/660133669.db2.gz CDFWNPLSYNSDGP-GFCCVEGCSA-N 1 0 397.342 2.962 20 0 GFADRO CC(C)[N@@H+]1CCO[C@@H](COC(=O)c2cc(Br)cc(N(C)C)c2)C1 ZINC000816016904 660140375 /nfs/dbraw/zinc/14/03/75/660140375.db2.gz GNEMOHKTKFHCEU-MRXNPFEDSA-N 1 0 385.302 2.781 20 0 GFADRO O=C1COc2ccc(C[NH2+]C[C@H](O)c3cccc(Br)c3)cc2N1 ZINC000816600310 660162214 /nfs/dbraw/zinc/16/22/14/660162214.db2.gz SNMTYYXHSRTACD-HNNXBMFYSA-N 1 0 377.238 2.603 20 0 GFADRO O=C1CC(F)(F)CN1C[NH2+]C1(c2cccc(Br)c2)CCOCC1 ZINC000841677082 661308357 /nfs/dbraw/zinc/30/83/57/661308357.db2.gz XBOGBRYCAOQFTO-UHFFFAOYSA-N 1 0 389.240 2.870 20 0 GFADRO C[C@]1(CCNC(=O)N2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)CC1(Cl)Cl ZINC000841913503 661317801 /nfs/dbraw/zinc/31/78/01/661317801.db2.gz RLOCTFFHCZPEJN-DZKIICNBSA-N 1 0 378.344 2.888 20 0 GFADRO CCC[C@H]([NH2+]Cc1ccc(S(N)(=O)=O)c(Cl)c1)[C@H](O)c1ccccc1 ZINC000842207656 661327719 /nfs/dbraw/zinc/32/77/19/661327719.db2.gz PDKKYFAENAOAPP-FUHWJXTLSA-N 1 0 382.913 2.979 20 0 GFADRO O=C1CCc2cc(Cl)c(S(=O)(=O)N3CCCC[C@H]3[C@H]3CCC[NH2+]3)cc21 ZINC000842481371 661341447 /nfs/dbraw/zinc/34/14/47/661341447.db2.gz IOCKFFFEXVEEFE-CVEARBPZSA-N 1 0 382.913 2.764 20 0 GFADRO C[NH2+]C[C@H](C)c1noc(CCC(=O)c2ccc(I)cc2)n1 ZINC000842576933 661344160 /nfs/dbraw/zinc/34/41/60/661344160.db2.gz IWJCKXYQXRTUMF-JTQLQIEISA-N 1 0 399.232 2.813 20 0 GFADRO C[C@@H]([NH2+]CC(C)(C)[C@@]1(O)CCOC1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000842915175 661360239 /nfs/dbraw/zinc/36/02/39/661360239.db2.gz CZPUPZMSKMROAJ-SJKOYZFVSA-N 1 0 377.453 2.511 20 0 GFADRO O[C@@H](C[NH2+]C[C@@H](O)c1ccccc1Br)COCc1cccs1 ZINC000843096499 661367734 /nfs/dbraw/zinc/36/77/34/661367734.db2.gz TXXHTPKMTQPPKC-BLLLJJGKSA-N 1 0 386.311 2.711 20 0 GFADRO O[C@H](C[NH2+]C[C@@H](O)c1ccc(F)c(Br)c1)Cc1cccc(F)c1 ZINC000843102892 661368113 /nfs/dbraw/zinc/36/81/13/661368113.db2.gz XAHKHGVFXLJYDE-WMLDXEAASA-N 1 0 386.236 2.954 20 0 GFADRO O[C@@H](C[NH2+]C[C@H](O)COc1ccccc1F)c1cccc(Br)c1 ZINC000843111138 661368559 /nfs/dbraw/zinc/36/85/59/661368559.db2.gz DDFSUSSXFBAYQL-HOCLYGCPSA-N 1 0 384.245 2.651 20 0 GFADRO O[C@@H](C[NH2+]C[C@@H](O)c1cccc(Br)c1)COc1ccc(F)cc1 ZINC000843112004 661368654 /nfs/dbraw/zinc/36/86/54/661368654.db2.gz BVYRZDKYLRDGDH-DOTOQJQBSA-N 1 0 384.245 2.651 20 0 GFADRO O=S(=O)(CC[NH2+]C[C@H](O)c1cc(F)cc(Cl)c1)c1ccc(F)cc1 ZINC000843111687 661368812 /nfs/dbraw/zinc/36/88/12/661368812.db2.gz MGJPSDBDQCEOKV-INIZCTEOSA-N 1 0 375.824 2.715 20 0 GFADRO COc1ccc(OC)c([C@@H](O)C[NH2+]C[C@@H](O)c2cccc(Br)c2)c1 ZINC000843113516 661369136 /nfs/dbraw/zinc/36/91/36/661369136.db2.gz WCJKZWASMFSCRS-SJORKVTESA-N 1 0 396.281 2.823 20 0 GFADRO [NH3+]CCc1noc(-c2cc(I)cc(C(F)(F)F)c2)n1 ZINC000843130552 661370408 /nfs/dbraw/zinc/37/04/08/661370408.db2.gz DLIWYYMLFMYOHA-UHFFFAOYSA-N 1 0 383.111 2.861 20 0 GFADRO [NH3+]CC1(c2nc(C3(c4cccc(Br)c4)CCOCC3)no2)CC1 ZINC000843220922 661373614 /nfs/dbraw/zinc/37/36/14/661373614.db2.gz YJRDSCWZYXOKFP-UHFFFAOYSA-N 1 0 378.270 2.919 20 0 GFADRO Cc1ccc(Br)cc1-c1noc(-c2cn(C3CC[NH2+]CC3)nn2)n1 ZINC000843228417 661374286 /nfs/dbraw/zinc/37/42/86/661374286.db2.gz JKNYEILVMAEMEN-UHFFFAOYSA-N 1 0 389.257 2.991 20 0 GFADRO OC[C@]1([C@@H]([NH2+]Cc2cc(Br)cnc2Cl)C2CC2)CCCO1 ZINC000843412983 661380570 /nfs/dbraw/zinc/38/05/70/661380570.db2.gz XZKZJNPQLOMKFP-ZFWWWQNUSA-N 1 0 375.694 2.907 20 0 GFADRO CC[C@@H](CNC(=O)CO[C@@H]1CCC[NH2+]C1)Cc1cccc(Br)c1 ZINC000843442665 661381689 /nfs/dbraw/zinc/38/16/89/661381689.db2.gz CCJRZYODBRRPBE-RHSMWYFYSA-N 1 0 383.330 2.903 20 0 GFADRO CN(CC1(c2ccc(Br)cc2)CC1)C(=O)CO[C@H]1CCC[NH2+]C1 ZINC000843444489 661381720 /nfs/dbraw/zinc/38/17/20/661381720.db2.gz TZIADRIRZAVAAK-INIZCTEOSA-N 1 0 381.314 2.708 20 0 GFADRO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)N1CCC(C)([NH3+])CC1 ZINC000843468505 661382589 /nfs/dbraw/zinc/38/25/89/661382589.db2.gz VMXFSULAAKHGOJ-UHFFFAOYSA-N 1 0 379.254 2.817 20 0 GFADRO CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)c2sccc2S(=O)(=O)C(F)F)CC1 ZINC000843502306 661383617 /nfs/dbraw/zinc/38/36/17/661383617.db2.gz XYNGTSAJAHPIOZ-CYBMUJFWSA-N 1 0 392.493 2.595 20 0 GFADRO COCCN(CC[NH+](C)C)C(=O)c1ccccc1CSC1=NCCS1 ZINC000843789927 661392841 /nfs/dbraw/zinc/39/28/41/661392841.db2.gz BMNHHSHLKAVNIT-UHFFFAOYSA-N 1 0 381.567 2.673 20 0 GFADRO C[C@H](CC(=O)N1CCCC2(CC[NH+](C)CC2)C1)n1cc(Br)cn1 ZINC000843875712 661395297 /nfs/dbraw/zinc/39/52/97/661395297.db2.gz ADQBSAYDGVTTCT-CQSZACIVSA-N 1 0 383.334 2.931 20 0 GFADRO CN(C)c1ncc(Br)cc1C(=O)N1CCCc2cc(C[NH3+])ccc21 ZINC000844206009 661409746 /nfs/dbraw/zinc/40/97/46/661409746.db2.gz VNJKFLCOLBBWLB-UHFFFAOYSA-N 1 0 389.297 2.962 20 0 GFADRO CC(C)S(=O)(=O)CC[N@@H+]1CCC[C@@H](C)[C@@H]1CCNC(=O)OC(C)(C)C ZINC000844399550 661418587 /nfs/dbraw/zinc/41/85/87/661418587.db2.gz CHKXGXNCUYFEOK-CVEARBPZSA-N 1 0 376.563 2.825 20 0 GFADRO C[C@H]1CCC[N@H+](CCCCS(C)(=O)=O)[C@@H]1CCNC(=O)OC(C)(C)C ZINC000844402555 661419248 /nfs/dbraw/zinc/41/92/48/661419248.db2.gz QUCFOIMEVKHROV-JKSUJKDBSA-N 1 0 376.563 2.827 20 0 GFADRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2Cn2nc(-c3ccc(Cl)s3)ccc2=O)C1 ZINC000844696481 661434736 /nfs/dbraw/zinc/43/47/36/661434736.db2.gz DVOVECIXRGVGFK-ZFWWWQNUSA-N 1 0 378.929 2.999 20 0 GFADRO CC(=O)N1CSC[C@@H]1C(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000844889401 661446259 /nfs/dbraw/zinc/44/62/59/661446259.db2.gz PSYLGJSKHPKAAD-QGZVFWFLSA-N 1 0 379.551 2.734 20 0 GFADRO C[C@@H]1[C@H](COC(=O)c2cccc(F)c2I)CC[N@@H+]1C ZINC000845817325 661498781 /nfs/dbraw/zinc/49/87/81/661498781.db2.gz FXRRHCGHTJCPCP-ZJUUUORDSA-N 1 0 377.197 2.927 20 0 GFADRO COc1c[nH+]ccc1N1CCN(C(=O)NCCC[C@H]2CC2(Cl)Cl)CC1 ZINC000845672641 661487598 /nfs/dbraw/zinc/48/75/98/661487598.db2.gz ALEZKTOZWKQEOY-ZDUSSCGKSA-N 1 0 387.311 2.896 20 0 GFADRO CCON(C)C(=O)C[NH2+]Cc1ccc(OC(F)(F)F)c(Br)c1 ZINC000846066078 661529049 /nfs/dbraw/zinc/52/90/49/661529049.db2.gz ZLANCJVQMBSCFI-UHFFFAOYSA-N 1 0 385.180 2.847 20 0 GFADRO CN(CCC[N@H+](C)Cc1ccncc1)C(=O)c1scnc1Br ZINC000846171292 661534889 /nfs/dbraw/zinc/53/48/89/661534889.db2.gz FYPQNVSZVPRGLF-UHFFFAOYSA-N 1 0 383.315 2.895 20 0 GFADRO O=C(NCCC1CC[NH2+]CC1)C(=O)Nc1ccccc1SC(F)(F)F ZINC000846324671 661545266 /nfs/dbraw/zinc/54/52/66/661545266.db2.gz GVESVCFMWFRCMT-UHFFFAOYSA-N 1 0 375.416 2.743 20 0 GFADRO C[NH+]1CCC(ONC(=O)c2cc(Br)ccc2Br)CC1 ZINC000846649977 661560553 /nfs/dbraw/zinc/56/05/53/661560553.db2.gz KLPSHYHOJILLLE-UHFFFAOYSA-N 1 0 392.091 2.967 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2C(=O)/C=C\c2ccc(Br)o2)C1 ZINC000846700703 661562262 /nfs/dbraw/zinc/56/22/62/661562262.db2.gz WHUPNOGXDOAWJP-VWEDVFCOSA-N 1 0 383.286 2.943 20 0 GFADRO CCN1C[C@H](C[NH2+]C2(c3cccc(Br)c3)CCOCC2)OC1=O ZINC000846822938 661567362 /nfs/dbraw/zinc/56/73/62/661567362.db2.gz GWXIQAPDPUHYOG-HNNXBMFYSA-N 1 0 383.286 2.885 20 0 GFADRO C[C@H]1COCCN1C1CC[NH+](C[C@@H](O)c2ccc(Br)cc2)CC1 ZINC000846910063 661570015 /nfs/dbraw/zinc/57/00/15/661570015.db2.gz BCCGIKJIYWTZOY-KBXCAEBGSA-N 1 0 383.330 2.668 20 0 GFADRO C[C@@H](CNC(=O)c1c(Cl)nccc1C(F)(F)F)N1C[C@@H](C)O[C@@H](C)C1 ZINC000847178339 661579444 /nfs/dbraw/zinc/57/94/44/661579444.db2.gz OTYADVPTBAQEFN-GARJFASQSA-N 1 0 379.810 2.981 20 0 GFADRO O=C(NC[C@H](O)c1cccc(Br)c1)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000847446903 661592649 /nfs/dbraw/zinc/59/26/49/661592649.db2.gz KWACPYSKUWQPNW-BBWFWOEESA-N 1 0 396.329 2.799 20 0 GFADRO O=Cc1ccc(OCC(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)c(Br)c1 ZINC000848351287 661643354 /nfs/dbraw/zinc/64/33/54/661643354.db2.gz CDMSGOFFIAYYCW-HOTGVXAUSA-N 1 0 395.297 2.774 20 0 GFADRO [NH3+]C[C@H](NC(=O)N1CCC([C@H](O)c2ccc(Cl)cc2)CC1)C(F)(F)F ZINC000848595018 661667129 /nfs/dbraw/zinc/66/71/29/661667129.db2.gz JBNBUYJOSGZNLI-UONOGXRCSA-N 1 0 379.810 2.685 20 0 GFADRO Fc1cccc(Cc2noc(CC[NH2+]C3CC3)n2)c1I ZINC000848626201 661668300 /nfs/dbraw/zinc/66/83/00/661668300.db2.gz PRTXUMZCCFXJDF-UHFFFAOYSA-N 1 0 387.196 2.699 20 0 GFADRO COC(=O)/C=C\c1ccc(C[NH2+]CCCCn2cc(Br)cn2)o1 ZINC000848908003 661688351 /nfs/dbraw/zinc/68/83/51/661688351.db2.gz LKJDFIPNLPQSEE-SREVYHEPSA-N 1 0 382.258 2.995 20 0 GFADRO CN(Cc1ccccc1Br)C(=O)CCNC(=[NH2+])NC1CCCC1 ZINC000849077697 661691116 /nfs/dbraw/zinc/69/11/16/661691116.db2.gz JPAFKODCPKKYOK-UHFFFAOYSA-N 1 0 381.318 2.854 20 0 GFADRO COc1ccc(C[C@H](CO)CNC(=[NH2+])NC2CCCC2)cc1Br ZINC000849109701 661692395 /nfs/dbraw/zinc/69/23/95/661692395.db2.gz FDDCVSLYRZLQIB-ZDUSSCGKSA-N 1 0 384.318 2.665 20 0 GFADRO CC(C)(C)OC(=O)NCCNC(=[NH2+])NC[C@H](O)c1c(Cl)cccc1Cl ZINC000849113351 661692886 /nfs/dbraw/zinc/69/28/86/661692886.db2.gz APWKTUXBJSXZOK-LBPRGKRZSA-N 1 0 391.299 2.665 20 0 GFADRO CC(C)(C)OC(=O)NCCNC(=[NH2+])N[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000849112457 661692916 /nfs/dbraw/zinc/69/29/16/661692916.db2.gz PGGCKEZOGHZBSF-UONOGXRCSA-N 1 0 397.317 2.944 20 0 GFADRO CS(=O)(=O)C1(C[NH2+]C[C@@H](O)c2ccccc2Br)CCCCC1 ZINC000849329108 661706075 /nfs/dbraw/zinc/70/60/75/661706075.db2.gz MDSYTFCZMQTRNV-OAHLLOKOSA-N 1 0 390.343 2.820 20 0 GFADRO O=C1N[C@H](c2ccccc2Br)C(=O)N1C1CC[NH+](CC2CC2)CC1 ZINC000849351049 661708126 /nfs/dbraw/zinc/70/81/26/661708126.db2.gz AMRSFSDDXLEJPU-MRXNPFEDSA-N 1 0 392.297 2.916 20 0 GFADRO COc1cncc(CNc2cc(N3CCOCC3)c(Br)c[nH+]2)c1 ZINC000849346434 661708411 /nfs/dbraw/zinc/70/84/11/661708411.db2.gz UTMRUJHHNKACNG-UHFFFAOYSA-N 1 0 379.258 2.696 20 0 GFADRO C[C@@H]1C[C@H](N2C(=O)N[C@H](c3ccccc3Br)C2=O)C[N@@H+]1C1CC1 ZINC000849354394 661709133 /nfs/dbraw/zinc/70/91/33/661709133.db2.gz PIGQQLQRGBZOBD-IFUGULHKSA-N 1 0 378.270 2.667 20 0 GFADRO C[NH+](C)[C@H]1CCC[C@@H](NS(=O)(=O)Cc2cc(F)ccc2Br)C1 ZINC000849379595 661712287 /nfs/dbraw/zinc/71/22/87/661712287.db2.gz OOBBAELSYLFACQ-KGLIPLIRSA-N 1 0 393.322 2.880 20 0 GFADRO Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)NCc2ccccc2Br)cn1 ZINC000849496595 661733926 /nfs/dbraw/zinc/73/39/26/661733926.db2.gz KIZBTDIQPJYMOF-JKSUJKDBSA-N 1 0 391.313 2.534 20 0 GFADRO Cc1cc(NC(=O)[C@H]2CC[N@@H+](C)C[C@H]2c2cnn(C)c2)cnc1Br ZINC000849573988 661734771 /nfs/dbraw/zinc/73/47/71/661734771.db2.gz UFSQGMFQEQBRSF-GJZGRUSLSA-N 1 0 392.301 2.560 20 0 GFADRO COc1cncc(C[NH2+]CCOc2ccc(I)cc2)c1 ZINC000850286732 661769337 /nfs/dbraw/zinc/76/93/37/661769337.db2.gz JLDBWIATNSHSNJ-UHFFFAOYSA-N 1 0 384.217 2.863 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+][C@H]1COC2(CCC2)C1 ZINC000850371035 661773074 /nfs/dbraw/zinc/77/30/74/661773074.db2.gz YDSQUIPAXDEGCD-SWLSCSKDSA-N 1 0 397.313 2.764 20 0 GFADRO CC(C)S(=O)(=O)CC[NH2+][C@@H]1CCc2ccc(I)cc21 ZINC000850469238 661777731 /nfs/dbraw/zinc/77/77/31/661777731.db2.gz QCLGVVDTNHRWRE-CQSZACIVSA-N 1 0 393.290 2.691 20 0 GFADRO C[C@H](Cc1cccc(F)c1)[NH2+]CCNC(=O)c1ccc(Br)cn1 ZINC000850495094 661779252 /nfs/dbraw/zinc/77/92/52/661779252.db2.gz WIBDZBUQTVQPPP-GFCCVEGCSA-N 1 0 380.261 2.934 20 0 GFADRO C[C@H]([NH2+]CC[S@@](=O)CC(F)(F)F)c1ccc(N2CCCOC2=O)cc1 ZINC000850495316 661779634 /nfs/dbraw/zinc/77/96/34/661779634.db2.gz ZSXNHBAMXAOVTO-UOXLDJKESA-N 1 0 378.416 2.995 20 0 GFADRO O=S1(=O)CC[C@H]([NH2+][C@@H]2COC3(CCC3)C2)c2cc(Br)ccc21 ZINC000850524070 661781061 /nfs/dbraw/zinc/78/10/61/661781061.db2.gz UBVUOKYGSRKOKP-JSGCOSHPSA-N 1 0 386.311 2.969 20 0 GFADRO CCOC(=O)CN(CC(C)C)C(=O)c1sc2c(c1Br)CNC2 ZINC000851637915 661827326 /nfs/dbraw/zinc/82/73/26/661827326.db2.gz RHZLPXHQVQJKSA-UHFFFAOYSA-N 1 0 389.315 2.775 20 0 GFADRO O=C(NCC12CC(C1)C[NH2+]2)N1CCc2c(Br)ccc(Cl)c2C1 ZINC000851676550 661828278 /nfs/dbraw/zinc/82/82/78/661828278.db2.gz DUHJMQIOTFUKAA-UHFFFAOYSA-N 1 0 384.705 2.922 20 0 GFADRO NC(=O)[C@@](O)(C[N@@H+]1CCSC[C@H]1c1ccc(Cl)cc1)c1ccccc1 ZINC000851775808 661831527 /nfs/dbraw/zinc/83/15/27/661831527.db2.gz WRWDOZZGJHCMMH-PKOBYXMFSA-N 1 0 376.909 2.803 20 0 GFADRO NC(=O)[C@](O)(C[N@@H+]1CCC[C@H]1c1ccccc1Br)c1ccccc1 ZINC000851808353 661833518 /nfs/dbraw/zinc/83/35/18/661833518.db2.gz MOLGHOZERVZUKB-HKUYNNGSSA-N 1 0 389.293 2.959 20 0 GFADRO CC[C@@](C)(COc1ncccc1Cl)[NH2+]CCn1cnc(Br)n1 ZINC000851861278 661839921 /nfs/dbraw/zinc/83/99/21/661839921.db2.gz OTGCWRSGPSUBLQ-AWEZNQCLSA-N 1 0 388.697 2.926 20 0 GFADRO COC(=O)N1CCC[C@H]([C@@H](C)[NH2+]Cc2cc(Br)cnc2OC)C1 ZINC000851950431 661846807 /nfs/dbraw/zinc/84/68/07/661846807.db2.gz PBEUNKARIAKLLR-NEPJUHHUSA-N 1 0 386.290 2.809 20 0 GFADRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCn2ncc(Br)c2C1 ZINC000852080614 661851969 /nfs/dbraw/zinc/85/19/69/661851969.db2.gz DZZSELZOGXDGPU-CQSZACIVSA-N 1 0 398.349 2.825 20 0 GFADRO C[C@H]1CCC[C@@](CNC(=O)N2CCn3ncc(Br)c3C2)([NH+](C)C)C1 ZINC000852188021 661856033 /nfs/dbraw/zinc/85/60/33/661856033.db2.gz STWHFMPDBBXYCY-SUMWQHHRSA-N 1 0 398.349 2.681 20 0 GFADRO CCOP(=O)(OCC)[C@H](O)C[N@@H+]1CC[C@H](C)[C@@H](C(=O)OC(C)(C)C)C1 ZINC000852203586 661856412 /nfs/dbraw/zinc/85/64/12/661856412.db2.gz FKAOHVIMANRRAY-KKUMJFAQSA-N 1 0 379.434 2.871 20 0 GFADRO FC1(F)CC[C@H](C[NH+]2CCC(n3nncc3I)CC2)C1 ZINC000852533264 661866597 /nfs/dbraw/zinc/86/65/97/661866597.db2.gz WLYZBNXETHJKHJ-JTQLQIEISA-N 1 0 396.223 2.955 20 0 GFADRO O[C@H](C[NH2+][C@@H]1C[C@H](O)C12CCC2)COc1ccc(Cl)cc1Br ZINC000852584782 661867462 /nfs/dbraw/zinc/86/74/62/661867462.db2.gz RCDABTZOLWUBBC-DFBGVHRSSA-N 1 0 390.705 2.735 20 0 GFADRO O[C@H](C[N@H+](CCN1CCOCC1)CC1CC1)c1ccccc1Br ZINC000852633688 661869165 /nfs/dbraw/zinc/86/91/65/661869165.db2.gz CQULYINPBXOTHO-GOSISDBHSA-N 1 0 383.330 2.527 20 0 GFADRO O=C1OCCN1C1CC[NH+](C[C@@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000852724050 661871801 /nfs/dbraw/zinc/87/18/01/661871801.db2.gz PJSCNNCOAUIAFT-CYBMUJFWSA-N 1 0 389.279 2.650 20 0 GFADRO C[C@@]([NH3+])(C(=O)NC[C@]12OCCC[C@H]1C2(F)F)c1ccc(Br)cc1 ZINC000852855114 661875850 /nfs/dbraw/zinc/87/58/50/661875850.db2.gz FEECZANFNZMQLA-SNPRPXQTSA-N 1 0 389.240 2.554 20 0 GFADRO [NH3+]C[C@]12CCC[C@H]1CN(C(=O)c1cnn(-c3ccccc3)c1Br)C2 ZINC000852895846 661876637 /nfs/dbraw/zinc/87/66/37/661876637.db2.gz KVTPYOJSJXGHCL-UGSOOPFHSA-N 1 0 389.297 2.836 20 0 GFADRO CC(C)(C)[C@H]([NH3+])C(=O)N1CC[C@@]2(C)[C@@H](C1)C2(Br)Br ZINC000852901481 661876762 /nfs/dbraw/zinc/87/67/62/661876762.db2.gz IXAYZWDKLCHPPP-LNLATYFQSA-N 1 0 382.140 2.714 20 0 GFADRO OC[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1Nc1ncnc(F)c1Br ZINC000853366424 661888081 /nfs/dbraw/zinc/88/80/81/661888081.db2.gz AFOIGKWELHDTNM-ZIAGYGMSSA-N 1 0 395.276 2.673 20 0 GFADRO COCC[N@H+](C)CCCC1CCN(c2ncnc(F)c2Br)CC1 ZINC000853464697 661889589 /nfs/dbraw/zinc/88/95/89/661889589.db2.gz VWVZMXCDAYWHAJ-UHFFFAOYSA-N 1 0 389.313 2.953 20 0 GFADRO Cc1nc(-c2ccc(Br)cc2)nn1C[N@@H+]1C[C@@H]2COC[C@]2(C)C1 ZINC000853565750 661892814 /nfs/dbraw/zinc/89/28/14/661892814.db2.gz JQYCLSHSSDDNCA-PBHICJAKSA-N 1 0 377.286 2.942 20 0 GFADRO C[NH+](C)C[C@@H](CNC(=O)c1cc(Br)n[nH]1)c1ccc(Cl)cc1 ZINC000854432310 661933062 /nfs/dbraw/zinc/93/30/62/661933062.db2.gz MCOQGMGRDOJMOZ-LLVKDONJSA-N 1 0 385.693 2.901 20 0 GFADRO CC[NH+]1CCN(c2ccc(C(=O)NCc3cc(Br)no3)cc2)CC1 ZINC000854707802 661949823 /nfs/dbraw/zinc/94/98/23/661949823.db2.gz IEESUBAAXHLDFR-UHFFFAOYSA-N 1 0 393.285 2.509 20 0 GFADRO C[NH+](C)[C@@H](CC(=O)N1CCn2ncc(Br)c2C1)c1ccccc1 ZINC000856012373 662016023 /nfs/dbraw/zinc/01/60/23/662016023.db2.gz BVXLQVVYJKIEKO-HNNXBMFYSA-N 1 0 377.286 2.681 20 0 GFADRO CC(C)[N@@H+]1CC[C@H](C(=O)NCCC2SCCS2)[C@@H](c2cnn(C)c2)C1 ZINC000856217621 662025543 /nfs/dbraw/zinc/02/55/43/662025543.db2.gz LBEWFNYFZHAMGH-JKSUJKDBSA-N 1 0 382.599 2.546 20 0 GFADRO O=C(c1ccc(C2SCCS2)cc1)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000856253540 662026857 /nfs/dbraw/zinc/02/68/57/662026857.db2.gz BNVHBIRRHGLMEO-KRWDZBQOSA-N 1 0 378.563 2.836 20 0 GFADRO Cc1c(Br)cccc1CC(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000856429249 662033434 /nfs/dbraw/zinc/03/34/34/662033434.db2.gz FPOKOUSRQVLAPT-MRXNPFEDSA-N 1 0 383.330 2.869 20 0 GFADRO CC(C)[NH+]1CCN(C2CCN(C(=O)NCC[C@H]3CC3(Cl)Cl)CC2)CC1 ZINC000856946795 662053572 /nfs/dbraw/zinc/05/35/72/662053572.db2.gz RHTWDEXIWSRPJK-HNNXBMFYSA-N 1 0 391.387 2.770 20 0 GFADRO CCC[N@H+](C)CC(C)(C)NC(=O)c1cccnc1I ZINC000857334367 662073747 /nfs/dbraw/zinc/07/37/47/662073747.db2.gz WNLPKVAUGUWOFE-UHFFFAOYSA-N 1 0 375.254 2.536 20 0 GFADRO CCS(=O)(=O)N1CCC([NH2+]Cc2cc(C)c(F)cc2Br)CC1 ZINC000858093434 662098295 /nfs/dbraw/zinc/09/82/95/662098295.db2.gz BDSVZYSUJVUKRC-UHFFFAOYSA-N 1 0 393.322 2.800 20 0 GFADRO O=S(=O)(C(F)F)N1CCC(C[NH2+]Cc2c(F)ccc(F)c2Cl)CC1 ZINC000858136866 662100579 /nfs/dbraw/zinc/10/05/79/662100579.db2.gz WVJFRMCFLVMSFN-UHFFFAOYSA-N 1 0 388.814 2.972 20 0 GFADRO Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1C[NH2+]CCN1CC[C@@H](O)C1 ZINC000858299368 662107618 /nfs/dbraw/zinc/10/76/18/662107618.db2.gz UTVXBSIJJZRMNM-MRXNPFEDSA-N 1 0 383.323 2.703 20 0 GFADRO CC[S@](=O)CC[NH2+][C@@H](C)c1ccc(NS(=O)(=O)c2ccccc2)cc1 ZINC000858365073 662109771 /nfs/dbraw/zinc/10/97/71/662109771.db2.gz YXUMIJLLGRCMNK-OWJWWREXSA-N 1 0 380.535 2.907 20 0 GFADRO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)[C@@H]2C[C@]2(C)Br)c1 ZINC000858533445 662114424 /nfs/dbraw/zinc/11/44/24/662114424.db2.gz SXLFSDUPQBSCGH-YJBOKZPZSA-N 1 0 396.329 2.870 20 0 GFADRO COC(=O)Nc1ccc(S(=O)(=O)NCCC[NH+]2CCCCC2)cc1Cl ZINC000858883302 662126109 /nfs/dbraw/zinc/12/61/09/662126109.db2.gz MKXVGEGGHJKIMP-UHFFFAOYSA-N 1 0 389.905 2.673 20 0 GFADRO C[N@H+](CCCO)C1CCN(C(=O)OCc2ccc(Br)cc2)CC1 ZINC000859008973 662131774 /nfs/dbraw/zinc/13/17/74/662131774.db2.gz WTFFEWMINIIUEE-UHFFFAOYSA-N 1 0 385.302 2.864 20 0 GFADRO COC(=O)Nc1ccc(S(=O)(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1Cl ZINC000859014365 662132103 /nfs/dbraw/zinc/13/21/03/662132103.db2.gz IROFHHGRSZRZLC-NEPJUHHUSA-N 1 0 389.905 2.622 20 0 GFADRO COC(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)cc1Cl ZINC000859217542 662145685 /nfs/dbraw/zinc/14/56/85/662145685.db2.gz NPRWYEXGUOVBME-LLVKDONJSA-N 1 0 389.905 2.669 20 0 GFADRO Cc1ccccc1SC[C@@H](C)C[N@@H+]1CCCN(S(=O)(=O)N(C)C)CC1 ZINC000859309153 662152295 /nfs/dbraw/zinc/15/22/95/662152295.db2.gz FUYOWPMWQVGXNG-INIZCTEOSA-N 1 0 385.599 2.537 20 0 GFADRO OC[C@@]1([NH2+]C[C@H](O)c2ccccc2)CCc2cc(Br)ccc2C1 ZINC000859572622 662167946 /nfs/dbraw/zinc/16/79/46/662167946.db2.gz SBNGIRLCLLOKLE-RBUKOAKNSA-N 1 0 376.294 2.992 20 0 GFADRO Cn1c(Cl)cnc1-c1csc(NC(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)n1 ZINC000859703713 662173180 /nfs/dbraw/zinc/17/31/80/662173180.db2.gz NVOVIEKXXZOFHQ-IYBDPMFKSA-N 1 0 380.905 2.660 20 0 GFADRO COc1cc(Br)ccc1CCC[NH2+]C1CC[NH+](CC(=O)[O-])CC1 ZINC000859794281 662175519 /nfs/dbraw/zinc/17/55/19/662175519.db2.gz UBWSOTYNKWYMPC-UHFFFAOYSA-N 1 0 385.302 2.529 20 0 GFADRO CC(C)[NH+]1CCN(CCCOC(=O)c2cc(O)cc(Br)c2)CC1 ZINC000860201034 662192273 /nfs/dbraw/zinc/19/22/73/662192273.db2.gz DGYDZMOIVDSFKM-UHFFFAOYSA-N 1 0 385.302 2.728 20 0 GFADRO Cn1nc(Cl)c(C(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)c1Cl ZINC000860679521 662209606 /nfs/dbraw/zinc/20/96/06/662209606.db2.gz SFRASPQQPDZVIS-UHFFFAOYSA-N 1 0 389.327 2.692 20 0 GFADRO CS[C@H]1CN(C(=O)c2cc(Br)cnc2F)C[C@@H]1[NH+]1CCCC1 ZINC000860786326 662215703 /nfs/dbraw/zinc/21/57/03/662215703.db2.gz BMSHXVNQCQXCAN-STQMWFEESA-N 1 0 388.306 2.635 20 0 GFADRO CO[C@H]1C[N@H+](C)[C@@](C)(COC(=O)c2ccc(C(F)(F)Br)nc2)C1 ZINC000861356368 662242578 /nfs/dbraw/zinc/24/25/78/662242578.db2.gz KBWBPXBIUBVAJY-BXUZGUMPSA-N 1 0 393.228 2.792 20 0 GFADRO O=C(NCc1cc(F)c(Br)cc1F)N[C@H]1C[NH2+]CCC1(F)F ZINC000861646701 662253109 /nfs/dbraw/zinc/25/31/09/662253109.db2.gz UFSXMYRYPQZIMA-NSHDSACASA-N 1 0 384.171 2.524 20 0 GFADRO C[N@@H+]1CCC[C@H](CNC(=O)C(=O)Nc2cccc(SC(F)(F)F)c2)C1 ZINC000861750430 662257351 /nfs/dbraw/zinc/25/73/51/662257351.db2.gz JSNAJEPGENUKDN-LLVKDONJSA-N 1 0 375.416 2.695 20 0 GFADRO CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2cccc(SC(F)(F)F)c2)C1 ZINC000861909789 662263382 /nfs/dbraw/zinc/26/33/82/662263382.db2.gz PMQRRRQGSGPCTI-GFCCVEGCSA-N 1 0 375.416 2.838 20 0 GFADRO COC(=O)CC[N@H+](Cc1ncc(Br)cc1F)C1CCOCC1 ZINC000862249684 662277245 /nfs/dbraw/zinc/27/72/45/662277245.db2.gz ZFPULIQECMANNQ-UHFFFAOYSA-N 1 0 375.238 2.527 20 0 GFADRO C[C@]1(C[NH+]2CCC(n3nncc3I)CC2)CCCS1 ZINC000862415929 662286616 /nfs/dbraw/zinc/28/66/16/662286616.db2.gz KZQFUYMHIUYEQP-CYBMUJFWSA-N 1 0 392.310 2.805 20 0 GFADRO Cc1nn(C)c2nc(Cl)c(CN3CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C3)cc12 ZINC000863646543 662342559 /nfs/dbraw/zinc/34/25/59/662342559.db2.gz MDMKNARRNPBMHV-AAEUAGOBSA-N 1 0 375.826 2.889 20 0 GFADRO C[N@@H+]1CCCC[C@@H](CNC(=O)CCN2C(=S)N=NC2c2cccs2)C1 ZINC000863938974 662350527 /nfs/dbraw/zinc/35/05/27/662350527.db2.gz UAQJCLPBABIQNV-ZDUSSCGKSA-N 1 0 379.555 2.534 20 0 GFADRO C[C@]1(C(=O)NC[C@@H]2CCC(C)(C)C[NH2+]2)CC1(Br)Br ZINC000864090096 662354270 /nfs/dbraw/zinc/35/42/70/662354270.db2.gz ZOICVMVTSOZVRN-JOYOIKCWSA-N 1 0 382.140 2.777 20 0 GFADRO C[NH+]1CCN(CCNC(=O)c2ccc3ccc(Br)cc3c2)CC1 ZINC000864658723 662382576 /nfs/dbraw/zinc/38/25/76/662382576.db2.gz NSVQGYSTXGLYOJ-UHFFFAOYSA-N 1 0 376.298 2.580 20 0 GFADRO C[C@@H](CNC(=O)c1c(F)ccc(I)c1Cl)[NH+](C)C ZINC000864829398 662387906 /nfs/dbraw/zinc/38/79/06/662387906.db2.gz ZKGJSHDITMBOJQ-ZETCQYMHSA-N 1 0 384.620 2.764 20 0 GFADRO C[NH+](C)CCn1cc(NC(=O)c2nc(Br)sc2Cl)cn1 ZINC000865085678 662397930 /nfs/dbraw/zinc/39/79/30/662397930.db2.gz PYMNRYKSWVHNTN-UHFFFAOYSA-N 1 0 378.683 2.569 20 0 GFADRO CC(=O)c1ccc(Cl)c(S(=O)(=O)N2C[C@H](C[NH3+])Cc3ccccc32)c1 ZINC000865213371 662404417 /nfs/dbraw/zinc/40/44/17/662404417.db2.gz XUNUNJGNIIJBJP-ZDUSSCGKSA-N 1 0 378.881 2.869 20 0 GFADRO C[C@H](Cc1ccc(Br)cc1)[NH2+]Cc1cn(C[C@H]2CCCO2)nn1 ZINC000865414521 662419744 /nfs/dbraw/zinc/41/97/44/662419744.db2.gz ABXPBUDRCJDQAX-CXAGYDPISA-N 1 0 379.302 2.940 20 0 GFADRO CC(C)NS(=O)(=O)Cc1ccccc1C[NH2+]Cc1cnc(Cl)c(F)c1 ZINC000865448638 662421994 /nfs/dbraw/zinc/42/19/94/662421994.db2.gz KTIJXLFEEZOIBQ-UHFFFAOYSA-N 1 0 385.892 2.992 20 0 GFADRO Cc1ccc(C[NH2+][C@H]2CCN(C3CCOCC3)C2=O)c(C)c1Br ZINC000865481616 662424113 /nfs/dbraw/zinc/42/41/13/662424113.db2.gz RPEXWCDZEJSXOC-INIZCTEOSA-N 1 0 381.314 2.935 20 0 GFADRO C[C@H](C[NH2+]Cc1cc2c(s1)CCN(C(=O)OC(C)(C)C)C2)S(C)(=O)=O ZINC000865510969 662425837 /nfs/dbraw/zinc/42/58/37/662425837.db2.gz YFKPQNWIGMZXKL-GFCCVEGCSA-N 1 0 388.555 2.564 20 0 GFADRO Cn1ncc2cc(C[NH2+][C@@](C)(CO)c3ccc(Br)cc3)cnc21 ZINC000865564550 662429574 /nfs/dbraw/zinc/42/95/74/662429574.db2.gz GKQQFUFVIOQQBL-KRWDZBQOSA-N 1 0 375.270 2.728 20 0 GFADRO Brc1ccc(-c2noc(N3CC[NH+](C[C@@H]4CCOC4)CC3)n2)cc1 ZINC000865591245 662430796 /nfs/dbraw/zinc/43/07/96/662430796.db2.gz DCWDZFXAHFGIJS-ZDUSSCGKSA-N 1 0 393.285 2.658 20 0 GFADRO COc1ncc(Br)cc1C[NH2+][C@H]1CCO[C@H](c2ccnn2C)C1 ZINC000865591754 662431128 /nfs/dbraw/zinc/43/11/28/662431128.db2.gz KPMCTZHGHTUKCG-ZFWWWQNUSA-N 1 0 381.274 2.596 20 0 GFADRO COc1ncc(Br)cc1C[NH2+][C@H]1CCCc2c1ccc(=O)n2C ZINC000865616853 662432385 /nfs/dbraw/zinc/43/23/85/662432385.db2.gz KRDJMMCKUOYCLY-AWEZNQCLSA-N 1 0 378.270 2.719 20 0 GFADRO COc1ncc(Br)cc1C[NH2+][C@@H]1C[C@@H](N2CCOCC2)C12CCC2 ZINC000865632928 662432973 /nfs/dbraw/zinc/43/29/73/662432973.db2.gz UBRDIUJBJNNIMV-HZPDHXFCSA-N 1 0 396.329 2.586 20 0 GFADRO C[C@](CO)(Cc1ccc(Br)cc1)[NH2+]Cc1ccc(C(N)=O)cc1 ZINC000865716509 662438545 /nfs/dbraw/zinc/43/85/45/662438545.db2.gz USKVIRBAVPDNDF-GOSISDBHSA-N 1 0 377.282 2.631 20 0 GFADRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]Cc2ccnc(Cl)c2Cl)[C@@H](O)C1 ZINC000865747235 662440890 /nfs/dbraw/zinc/44/08/90/662440890.db2.gz MUNDZBQNXJGQEF-RYUDHWBXSA-N 1 0 376.284 2.848 20 0 GFADRO Ic1ccccc1C[NH2+]C[C@@H]1CC2(CO1)CCOCC2 ZINC000865780873 662443114 /nfs/dbraw/zinc/44/31/14/662443114.db2.gz CPIUILBYUSXDCQ-AWEZNQCLSA-N 1 0 387.261 2.967 20 0 GFADRO CCN1CC[NH+](C[C@H](C)CNC(=O)c2ccc(SC(F)(F)F)o2)CC1 ZINC000865802138 662444348 /nfs/dbraw/zinc/44/43/48/662444348.db2.gz KEPXHQKAFRLOSM-GFCCVEGCSA-N 1 0 379.448 2.895 20 0 GFADRO COc1cc(Br)c(CNc2cc3n(n2)CC[N@H+](C)C3)c(OC)c1 ZINC000865845822 662446942 /nfs/dbraw/zinc/44/69/42/662446942.db2.gz UFYWPLOMCFQDKY-UHFFFAOYSA-N 1 0 381.274 2.720 20 0 GFADRO C[C@@H]([NH2+]CCOCC(=O)OC(C)(C)C)c1cc(Br)ncc1F ZINC000866437713 662473054 /nfs/dbraw/zinc/47/30/54/662473054.db2.gz MTQRDOZRRBDWNV-SNVBAGLBSA-N 1 0 377.254 2.992 20 0 GFADRO C[C@H](CC1CCC1)[NH2+][C@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000866486539 662476615 /nfs/dbraw/zinc/47/66/15/662476615.db2.gz KLVVEIGGBATWJK-ZIAGYGMSSA-N 1 0 388.555 2.642 20 0 GFADRO O=C1OC[C@@]2(C[NH2+][C@@H](c3ccc(Br)cc3F)C3CC3)COCCN12 ZINC000866519379 662478421 /nfs/dbraw/zinc/47/84/21/662478421.db2.gz AGPLEFYQQBRBGB-NVXWUHKLSA-N 1 0 399.260 2.850 20 0 GFADRO C[C@H]([NH2+][C@@H]1[C@H]2Cc3ccc(Br)cc3[C@@H]12)C1CCS(=O)(=O)CC1 ZINC000866610511 662484000 /nfs/dbraw/zinc/48/40/00/662484000.db2.gz MMQACJRYMSWYMQ-YQMWTZAJSA-N 1 0 384.339 2.890 20 0 GFADRO CC(C)(C)[C@]1(C[NH3+])CCN(Cc2nnnn2-c2ccccc2Br)C1 ZINC000866707649 662490836 /nfs/dbraw/zinc/49/08/36/662490836.db2.gz VLUIKYNKMAZTPB-KRWDZBQOSA-N 1 0 393.333 2.622 20 0 GFADRO COc1cc(I)ccc1C(=O)N(C)CCCn1ccnc1 ZINC000866744877 662493717 /nfs/dbraw/zinc/49/37/17/662493717.db2.gz RECMLMDPODPXKO-UHFFFAOYSA-N 1 0 399.232 2.659 20 0 GFADRO Cc1ccc(Br)c(CS(=O)(=O)NC[C@@]2(C)CCC[NH2+]C2)c1 ZINC000866760443 662495282 /nfs/dbraw/zinc/49/52/82/662495282.db2.gz KGEZMMMZWHCBCO-HNNXBMFYSA-N 1 0 375.332 2.567 20 0 GFADRO O=S(=O)(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cccc(Cl)c1Br ZINC000866810575 662500720 /nfs/dbraw/zinc/50/07/20/662500720.db2.gz XEPILALKRBFTIO-JGPRNRPPSA-N 1 0 393.734 2.911 20 0 GFADRO Cc1ccc(Br)c(CS(=O)(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)c1 ZINC000867484452 662553514 /nfs/dbraw/zinc/55/35/14/662553514.db2.gz GOSPSAFWOXEGDB-XBXGTLAGSA-N 1 0 375.332 2.517 20 0 GFADRO C[NH+](C)C1(C)CCC(NS(=O)(=O)c2ccc(Br)nc2F)CC1 ZINC000867741531 662571597 /nfs/dbraw/zinc/57/15/97/662571597.db2.gz HLTBGUNYMIBDQB-UHFFFAOYSA-N 1 0 394.310 2.524 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(S(=O)(=O)c3cccc(Cl)c3Br)CC[C@H]21 ZINC000867809560 662578416 /nfs/dbraw/zinc/57/84/16/662578416.db2.gz SQVGKEIDWHHDAW-ZYHUDNBSSA-N 1 0 393.734 2.817 20 0 GFADRO C[NH+](C)CCn1cc(C(=O)NCC[C@@H](O)c2ccc(Cl)c(Cl)c2)cn1 ZINC000867812202 662579216 /nfs/dbraw/zinc/57/92/16/662579216.db2.gz VWNAVKIPYGIFKB-MRXNPFEDSA-N 1 0 385.295 2.605 20 0 GFADRO COc1ccc(S(=O)(=O)N2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)c(Cl)c1Cl ZINC000867813253 662579564 /nfs/dbraw/zinc/57/95/64/662579564.db2.gz SZESYOCUIKERTD-QWRGUYRKSA-N 1 0 379.309 2.717 20 0 GFADRO C[C@@H]1CN(C2CCOCC2)CCN1C(=O)C(=O)c1cc(Cl)cc(Cl)c1 ZINC000867877360 662584647 /nfs/dbraw/zinc/58/46/47/662584647.db2.gz CNPNBVIAFPOJDM-GFCCVEGCSA-N 1 0 385.291 2.888 20 0 GFADRO COc1cccc(CCNC(=O)[C@@H]([NH3+])c2cccc(Br)c2)c1OC ZINC000867944526 662588676 /nfs/dbraw/zinc/58/86/76/662588676.db2.gz WVTRQAQSIIUZEU-INIZCTEOSA-N 1 0 393.281 2.825 20 0 GFADRO CC(C)C[C@](C)(C[NH3+])NC(=O)c1cnn(C(C)C)c1I ZINC000867960097 662589466 /nfs/dbraw/zinc/58/94/66/662589466.db2.gz JBXXDXAOPFVBJZ-CQSZACIVSA-N 1 0 392.285 2.562 20 0 GFADRO O=C([C@@H]1[C@@H]2Cc3ccc(Br)cc3[C@@H]21)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000867970625 662589949 /nfs/dbraw/zinc/58/99/49/662589949.db2.gz GHTWMKWXHRCQAT-SFNKJDCFSA-N 1 0 375.310 2.937 20 0 GFADRO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)N[C@@H](C)C1CC[NH2+]CC1 ZINC000868012339 662591514 /nfs/dbraw/zinc/59/15/14/662591514.db2.gz MRFFNQSWHLAEEZ-NSHDSACASA-N 1 0 393.281 2.982 20 0 GFADRO C[C@]1([NH3+])CCN(C(=O)[C@H]2CCCN(C(=O)c3ccc(Cl)c(Cl)c3)C2)C1 ZINC000868074633 662593769 /nfs/dbraw/zinc/59/37/69/662593769.db2.gz NUKVVHRPFNHLAI-UGSOOPFHSA-N 1 0 384.307 2.795 20 0 GFADRO [NH3+]CC12CCC(CC1)N2C(=O)Nc1cc(Br)cnc1-n1cccn1 ZINC000868148146 662596390 /nfs/dbraw/zinc/59/63/90/662596390.db2.gz RLLJTTHNRWXBIS-UHFFFAOYSA-N 1 0 391.273 2.517 20 0 GFADRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1cc(Br)cn2ccnc12 ZINC000868280953 662600444 /nfs/dbraw/zinc/60/04/44/662600444.db2.gz FUCCSTOBMUKZKG-GXTWGEPZSA-N 1 0 377.286 2.796 20 0 GFADRO [NH3+]CC12CCC(CC1)N2C(=O)C(=O)Nc1cc(Cl)cc(C(F)(F)F)c1 ZINC000868290635 662600899 /nfs/dbraw/zinc/60/08/99/662600899.db2.gz QGQSTBPHFFFBMA-UHFFFAOYSA-N 1 0 375.778 2.780 20 0 GFADRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1cc(Br)cn2ccnc12 ZINC000868335668 662602180 /nfs/dbraw/zinc/60/21/80/662602180.db2.gz MPDRDQLJLBBTNC-IUODEOHRSA-N 1 0 377.286 2.796 20 0 GFADRO CC1([NH+]2CCOCC2)CCN(C(=O)NCCSCCC(F)(F)F)CC1 ZINC000869066397 662628771 /nfs/dbraw/zinc/62/87/71/662628771.db2.gz JEOYRWLURFODMX-UHFFFAOYSA-N 1 0 383.480 2.568 20 0 GFADRO C[NH+](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCCC[C@@H]1CC1(Cl)Cl ZINC000869162812 662632432 /nfs/dbraw/zinc/63/24/32/662632432.db2.gz VCUUWAVFVQYKRH-NEPJUHHUSA-N 1 0 382.332 2.532 20 0 GFADRO CC(C)[NH+]1CCN(CCCOC(=O)Cc2cc(N)cc(Br)c2)CC1 ZINC000869790122 662662395 /nfs/dbraw/zinc/66/23/95/662662395.db2.gz VXDWVNGINNBTJW-UHFFFAOYSA-N 1 0 398.345 2.533 20 0 GFADRO [NH3+][C@H]1CC[C@H](C(=O)N2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)CC1 ZINC000870866178 662703988 /nfs/dbraw/zinc/70/39/88/662703988.db2.gz UCIURWMDLSCRBK-MQMHXKEQSA-N 1 0 384.307 2.795 20 0 GFADRO O=C(CCC12CC(C1)C[NH2+]2)NC[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000870873704 662704173 /nfs/dbraw/zinc/70/41/73/662704173.db2.gz RQHXEQMZCTYHJS-XVTSOASTSA-N 1 0 392.341 2.924 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)c2c(F)ccc(I)c2Cl)CC[NH2+]1 ZINC000870942284 662709631 /nfs/dbraw/zinc/70/96/31/662709631.db2.gz KFVWNPORYAXBCF-SFYZADRCSA-N 1 0 396.631 2.954 20 0 GFADRO O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccn(-c2cccc(Br)c2)n1 ZINC000870975216 662712100 /nfs/dbraw/zinc/71/21/00/662712100.db2.gz RUOJWXQWDBDOMZ-YOWGUQMCSA-N 1 0 389.297 2.895 20 0 GFADRO Cn1c(-c2cc(F)ccc2Br)nnc1N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000871043047 662713993 /nfs/dbraw/zinc/71/39/93/662713993.db2.gz OMUSZPNTXOOHNH-XHDPSFHLSA-N 1 0 394.292 2.914 20 0 GFADRO O=c1c2cnn(C3CC[NH2+]CC3)c2ncn1Cc1cccc(Cl)c1Cl ZINC000871676107 662731006 /nfs/dbraw/zinc/73/10/06/662731006.db2.gz VSKXIJRRKMGFDO-UHFFFAOYSA-N 1 0 378.263 2.873 20 0 GFADRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2c(Cl)cccc2Cl)C[C@@H]1C(F)(F)F ZINC000871812096 662735046 /nfs/dbraw/zinc/73/50/46/662735046.db2.gz VQAVVYJEHJYIPG-SFYZADRCSA-N 1 0 377.215 2.751 20 0 GFADRO [NH3+]C[C@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)s2)C[C@H]1C(F)(F)F ZINC000871812880 662735110 /nfs/dbraw/zinc/73/51/10/662735110.db2.gz DEWGHFODTMMRBU-NKWVEPMBSA-N 1 0 382.351 2.525 20 0 GFADRO [NH3+]C[C@H]1CN(S(=O)(=O)Cc2cc(Cl)cc(Cl)c2)C[C@@H]1C(F)(F)F ZINC000871813756 662735269 /nfs/dbraw/zinc/73/52/69/662735269.db2.gz KKLPVFCFJZJVND-CABZTGNLSA-N 1 0 391.242 2.892 20 0 GFADRO [NH3+]C[C@@H]1CN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)C[C@H]1C(F)(F)F ZINC000871814485 662735490 /nfs/dbraw/zinc/73/54/90/662735490.db2.gz VFJQCGORJVYKCP-NXEZZACHSA-N 1 0 391.242 2.892 20 0 GFADRO O=S(=O)(N[C@@]12CCC[C@H]1[NH2+]CC2)c1ccc(C(F)(F)C(F)(F)F)cc1 ZINC000871817958 662735761 /nfs/dbraw/zinc/73/57/61/662735761.db2.gz HVKFPZOXGOBWRF-CHWSQXEVSA-N 1 0 384.370 2.904 20 0 GFADRO CCOC(=O)[C@H](C)C1C[NH+](C[C@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000871993774 662750071 /nfs/dbraw/zinc/75/00/71/662750071.db2.gz QBALTKPSBSAOKC-RISCZKNCSA-N 1 0 376.280 2.864 20 0 GFADRO NC(=O)c1ccc(C[NH2+][C@H](c2cccc(Br)c2)[C@@H]2CCOC2)cn1 ZINC000872041050 662754461 /nfs/dbraw/zinc/75/44/61/662754461.db2.gz FVWZDGRSAVWGSX-RHSMWYFYSA-N 1 0 390.281 2.810 20 0 GFADRO O=S(=O)(NCC[NH2+][C@@H]1CCOC2(CCCC2)C1)c1ccc(Cl)s1 ZINC000872052541 662754914 /nfs/dbraw/zinc/75/49/14/662754914.db2.gz OOHXVAZZSUYRJJ-GFCCVEGCSA-N 1 0 378.947 2.761 20 0 GFADRO O=S(=O)(NCC[NH2+][C@H]1CCOC2(CCCC2)C1)c1ccc(F)cc1Cl ZINC000872070663 662755254 /nfs/dbraw/zinc/75/52/54/662755254.db2.gz WCSXUJPEGFNWML-AWEZNQCLSA-N 1 0 390.908 2.839 20 0 GFADRO Cn1ncc(CCC[NH2+][C@H](c2cccc(Br)c2)[C@@H]2CCOC2)n1 ZINC000872072273 662755306 /nfs/dbraw/zinc/75/53/06/662755306.db2.gz GAVLFPJMHIPSCA-RHSMWYFYSA-N 1 0 379.302 2.878 20 0 GFADRO OC1CCN(CC[NH2+][C@H](c2cccc(Br)c2)[C@H]2CCOC2)CC1 ZINC000872077207 662755391 /nfs/dbraw/zinc/75/53/91/662755391.db2.gz COEBGIDZJCPJKV-MAUKXSAKSA-N 1 0 383.330 2.573 20 0 GFADRO Cn1cnc(CCC[NH2+][C@@H](c2cccc(Br)c2)[C@@H]2CCOC2)n1 ZINC000872080625 662755448 /nfs/dbraw/zinc/75/54/48/662755448.db2.gz BCXGXNHNLYIGKL-PBHICJAKSA-N 1 0 379.302 2.878 20 0 GFADRO C[C@@H]([NH2+]CCOC(F)(F)C(F)(F)F)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000872109948 662756059 /nfs/dbraw/zinc/75/60/59/662756059.db2.gz ALCNQVFDOSBAMH-SNVBAGLBSA-N 1 0 390.374 2.759 20 0 GFADRO Cc1ccc(NC(=O)CN2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c(Br)c1 ZINC000872150304 662756854 /nfs/dbraw/zinc/75/68/54/662756854.db2.gz ZIAAZRHREJSTGB-QWRGUYRKSA-N 1 0 394.235 2.765 20 0 GFADRO Cc1ccc(C[NH2+]C[C@@H](O)c2ccc(S(C)(=O)=O)cc2)cc1Br ZINC000872243674 662759234 /nfs/dbraw/zinc/75/92/34/662759234.db2.gz TVCPEMUKFRYVNT-QGZVFWFLSA-N 1 0 398.322 2.984 20 0 GFADRO CC(C)(C)[S@@](C)(=O)=NS(=O)(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000872441718 662766971 /nfs/dbraw/zinc/76/69/71/662766971.db2.gz KVIPQDAHYGSIJO-XMMPIXPASA-N 1 0 393.619 2.762 20 0 GFADRO CN1CC[NH+](CCCCNC(=O)NCc2ccc(C(F)(F)F)s2)CC1 ZINC000872824809 662790565 /nfs/dbraw/zinc/79/05/65/662790565.db2.gz CZJPGFIYOCEHQO-UHFFFAOYSA-N 1 0 378.464 2.594 20 0 GFADRO O=S1(=O)CCC[C@@H]([NH2+]C[C@@](O)(c2ccc(Cl)cc2)C(F)(F)F)CC1 ZINC000873073624 662798839 /nfs/dbraw/zinc/79/88/39/662798839.db2.gz ZZVMSUCZGWVBNG-ZIAGYGMSSA-N 1 0 385.835 2.647 20 0 GFADRO Cn1c2ccccc2c(Br)c1C[NH2+][C@@H](CC(N)=O)C1CCOCC1 ZINC000873096969 662799626 /nfs/dbraw/zinc/79/96/26/662799626.db2.gz CFTLIGPXMZMNPN-AWEZNQCLSA-N 1 0 394.313 2.701 20 0 GFADRO Cc1sc(C[NH2+][C@@H]2CCO[C@]3(CCS(=O)(=O)C3)C2)cc1Br ZINC000873101250 662799763 /nfs/dbraw/zinc/79/97/63/662799763.db2.gz QBZSFDXECYRJJV-BXUZGUMPSA-N 1 0 394.356 2.645 20 0 GFADRO Cc1sc(C[NH2+]CC2(N3CCOCC3)CCOCC2)cc1Br ZINC000873131662 662801054 /nfs/dbraw/zinc/80/10/54/662801054.db2.gz WQTBHEWEOWBIJK-UHFFFAOYSA-N 1 0 389.359 2.790 20 0 GFADRO CO[C@@H](C[NH2+]Cc1cccc(F)c1I)[C@H]1CCOC1 ZINC000873133501 662801105 /nfs/dbraw/zinc/80/11/05/662801105.db2.gz DTLPPQBLVSPMCZ-AAEUAGOBSA-N 1 0 379.213 2.571 20 0 GFADRO COC[C@H]([NH2+][C@@H]1CCCS(=O)(=O)CC1)c1cccc(Br)c1 ZINC000873152560 662801889 /nfs/dbraw/zinc/80/18/89/662801889.db2.gz UFNUSIYREFPXGQ-CABCVRRESA-N 1 0 376.316 2.694 20 0 GFADRO [NH3+]C[C@H]1CN(Cc2ccccc2I)C[C@@H]1C(F)(F)F ZINC000873226901 662804174 /nfs/dbraw/zinc/80/41/74/662804174.db2.gz DMOJUFCPNFTFIX-QWRGUYRKSA-N 1 0 384.183 2.860 20 0 GFADRO COCCOc1ccc(Br)cc1NC(=O)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000873317739 662805337 /nfs/dbraw/zinc/80/53/37/662805337.db2.gz SEUVWFPGXABWAJ-NVXWUHKLSA-N 1 0 398.301 2.880 20 0 GFADRO COc1cc(OC)c(NC(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)cc1Br ZINC000873320774 662805370 /nfs/dbraw/zinc/80/53/70/662805370.db2.gz YEDYKAOKNODTFW-MGPLVRAMSA-N 1 0 384.274 2.540 20 0 GFADRO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)Cc1noc2ccc(Br)cc21 ZINC000874824986 662837445 /nfs/dbraw/zinc/83/74/45/662837445.db2.gz NGMGEVZQCPOCEW-HUUCEWRRSA-N 1 0 378.270 2.828 20 0 GFADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)OCc2ccc(Br)cc2)cn1 ZINC000875753368 662851253 /nfs/dbraw/zinc/85/12/53/662851253.db2.gz VNIINXWEZRRTPY-IRXDYDNUSA-N 1 0 392.297 2.961 20 0 GFADRO COC[C@@H](NC(=O)NCC1=CC[N@H+](C)CC1)c1cccc(Br)c1 ZINC000876232681 662857581 /nfs/dbraw/zinc/85/75/81/662857581.db2.gz MRCBWYVMSXJJTA-MRXNPFEDSA-N 1 0 382.302 2.698 20 0 GFADRO CCN(CC)S(=O)(=O)c1cc(NC(=O)[C@H]2CC[C@H]([NH3+])CC2)ccc1Cl ZINC000876552319 662862736 /nfs/dbraw/zinc/86/27/36/662862736.db2.gz QYWCURYOMVQKHW-JOCQHMNTSA-N 1 0 387.933 2.827 20 0 GFADRO Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)NCc1ccc(Br)cc1 ZINC000876574564 662863051 /nfs/dbraw/zinc/86/30/51/662863051.db2.gz WPNUMZGQAYLZRF-OAHLLOKOSA-N 1 0 377.286 2.809 20 0 GFADRO Cc1cnn([C@H]2CCC[NH2+]C2)c1C(=O)NCc1ccc(Br)s1 ZINC000876599866 662863281 /nfs/dbraw/zinc/86/32/81/662863281.db2.gz BUECCNCMHOFFPX-NSHDSACASA-N 1 0 383.315 2.870 20 0 GFADRO C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000876615684 662863550 /nfs/dbraw/zinc/86/35/50/662863550.db2.gz KUWJFYOPESMYAO-RAIBAHKFSA-N 1 0 379.298 2.761 20 0 GFADRO Cn1nccc1[C@@H]1CCC[N@H+](Cc2cnn3cc(Br)cnc23)C1 ZINC000876626614 662863662 /nfs/dbraw/zinc/86/36/62/662863662.db2.gz DFBLDFJAFDJHNS-GFCCVEGCSA-N 1 0 375.274 2.605 20 0 GFADRO C[N@H+](Cc1cccc(F)c1OC(F)(F)F)C1CCN(S(C)(=O)=O)CC1 ZINC000876809850 662866792 /nfs/dbraw/zinc/86/67/92/662866792.db2.gz ZDCXPIFIWHRTDQ-UHFFFAOYSA-N 1 0 384.395 2.580 20 0 GFADRO O=C(N[C@@H]1C[NH2+]CCC1(F)F)c1cc(Br)ccc1Br ZINC000876864071 662867444 /nfs/dbraw/zinc/86/74/44/662867444.db2.gz JVPQWOFGALGEML-SNVBAGLBSA-N 1 0 398.045 2.939 20 0 GFADRO COCCOc1ccc(Br)cc1NC(=O)/C=C/[C@@H]1CCC[NH2+]C1 ZINC000876877144 662867507 /nfs/dbraw/zinc/86/75/07/662867507.db2.gz OEMMOFOLBLJYDN-LVDDQXARSA-N 1 0 383.286 2.969 20 0 GFADRO CCO[P@@](C)(=O)CC[C@@H](C)[NH2+]Cc1ccccc1S(=O)(=O)N(C)C ZINC000876921340 662868143 /nfs/dbraw/zinc/86/81/43/662868143.db2.gz CLAUOCAHRWXQDE-QKFKETGDSA-N 1 0 376.459 2.750 20 0 GFADRO [NH3+][C@@H]1CN(C(=O)c2cc(Br)cnc2F)C[C@H]1c1ccccc1F ZINC000876925278 662868242 /nfs/dbraw/zinc/86/82/42/662868242.db2.gz YKCQMPVHLRNQLB-GXTWGEPZSA-N 1 0 382.208 2.689 20 0 GFADRO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)[C@@H]2C[C@]2(C)Br)cc1F ZINC000876966498 662868699 /nfs/dbraw/zinc/86/86/99/662868699.db2.gz RYWHWVXDYQCMBX-GWIFVGGISA-N 1 0 385.277 2.570 20 0 GFADRO CNC(=O)C1CCC([NH2+]Cc2ccc(C(=O)OC)c(Br)c2)CC1 ZINC000876974874 662868987 /nfs/dbraw/zinc/86/89/87/662868987.db2.gz WEVAZWPGEKHPJG-UHFFFAOYSA-N 1 0 383.286 2.630 20 0 GFADRO CCO[P@](C)(=O)CC[C@@H](C)[NH2+]CCNS(=O)(=O)c1ccc(C)cc1 ZINC000876980154 662869065 /nfs/dbraw/zinc/86/90/65/662869065.db2.gz YKLHGALNLWZYHL-CMJOXMDJSA-N 1 0 376.459 2.586 20 0 GFADRO CCO[P@](C)(=O)CC[C@@H](C)[NH2+][C@@H](C)c1cccc(S(=O)(=O)NC)c1 ZINC000877003410 662869527 /nfs/dbraw/zinc/86/95/27/662869527.db2.gz TYIGOWWQMPMNHX-XXAQJILISA-N 1 0 376.459 2.968 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)c2cc(F)cc3[nH]c(=S)[nH]c32)CC[C@@H]1C(F)(F)F ZINC000877018187 662869699 /nfs/dbraw/zinc/86/96/99/662869699.db2.gz SUDJWXUGALBBBW-XCBNKYQSSA-N 1 0 376.379 2.590 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)c2cc(F)cc3[nH]c(=S)[nH]c32)CC[C@@H]1C(F)(F)F ZINC000877018189 662869702 /nfs/dbraw/zinc/86/97/02/662869702.db2.gz SUDJWXUGALBBBW-XVKPBYJWSA-N 1 0 376.379 2.590 20 0 GFADRO CC[C@H](Nc1cccnc1Cl)C(=O)N1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000877018326 662869707 /nfs/dbraw/zinc/86/97/07/662869707.db2.gz MMFSGUBEZGLPHX-WOPDTQHZSA-N 1 0 378.826 2.911 20 0 GFADRO C[NH+]1CCC(N2CC[C@H](NCc3nc(Cl)ccc3Br)C2)CC1 ZINC000877028093 662869814 /nfs/dbraw/zinc/86/98/14/662869814.db2.gz XJOLPGZNQOZGDO-LBPRGKRZSA-N 1 0 387.753 2.756 20 0 GFADRO CCO[P@](C)(=O)CC[C@H](C)[NH2+]CC1CCN(S(=O)(=O)C(F)F)CC1 ZINC000877039483 662869996 /nfs/dbraw/zinc/86/99/96/662869996.db2.gz LAMJGYKRXAOVEZ-MYODQAERSA-N 1 0 390.433 2.563 20 0 GFADRO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000877049271 662870217 /nfs/dbraw/zinc/87/02/17/662870217.db2.gz BJHANVLQMGMPAX-SKDRFNHKSA-N 1 0 379.254 2.734 20 0 GFADRO C[C@@H]1CC[C@@H](NC(=O)c2c(F)ccc(I)c2Cl)C[NH2+]1 ZINC000877045943 662870229 /nfs/dbraw/zinc/87/02/29/662870229.db2.gz GZZGNQCDGUAQRQ-HTQZYQBOSA-N 1 0 396.631 2.954 20 0 GFADRO CN(CCOCC[NH3+])C(=O)c1ccc(-c2ccccc2Br)n1C ZINC000877057482 662870345 /nfs/dbraw/zinc/87/03/45/662870345.db2.gz GAMRLBJBRSIROY-UHFFFAOYSA-N 1 0 380.286 2.502 20 0 GFADRO Cc1cc([C@@](C)(O)C[NH2+]Cc2cnn3cc(Br)cnc23)c(C)o1 ZINC000877060871 662870364 /nfs/dbraw/zinc/87/03/64/662870364.db2.gz SFYOJHUNWAPBRO-INIZCTEOSA-N 1 0 379.258 2.699 20 0 GFADRO C[C@@H]1C[C@@H]([NH2+]Cc2cc3nc(Cl)ccc3s2)C(=O)N1c1cnn(C)c1 ZINC000877070353 662870758 /nfs/dbraw/zinc/87/07/58/662870758.db2.gz NQMNBEABAWYCCY-QMTHXVAHSA-N 1 0 375.885 2.967 20 0 GFADRO Cc1cc(COc2ccc(C(=O)N(C)C[C@@H](C)[NH3+])cc2Br)on1 ZINC000877097649 662870987 /nfs/dbraw/zinc/87/09/87/662870987.db2.gz FQNATDVQWMLPIF-SNVBAGLBSA-N 1 0 382.258 2.744 20 0 GFADRO C[C@H]([NH3+])CN(C)C(=O)c1ccc(NC(=O)c2ccc(Br)o2)cc1 ZINC000877100617 662871095 /nfs/dbraw/zinc/87/10/95/662871095.db2.gz VCZQSBNBPNJUFE-JTQLQIEISA-N 1 0 380.242 2.714 20 0 GFADRO CCO[P@](C)(=O)CC[C@@H](C)[NH2+]C1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000877108526 662871100 /nfs/dbraw/zinc/87/11/00/662871100.db2.gz PJAAJQGKFMBUBH-BGJPBQGDSA-N 1 0 394.396 2.613 20 0 GFADRO CO[C@@H](c1ccc(Br)cc1)[C@H](C)[NH2+]CC1CCS(=O)(=O)CC1 ZINC000877134010 662871565 /nfs/dbraw/zinc/87/15/65/662871565.db2.gz UWNIDMCKKYMLLL-BLLLJJGKSA-N 1 0 390.343 2.940 20 0 GFADRO O=C([C@H](F)[C@@H]1CC[NH2+]C1)N1CC2(CCOCC2)c2ccc(Br)cc21 ZINC000877139735 662871688 /nfs/dbraw/zinc/87/16/88/662871688.db2.gz YEEGLOZTESACFX-MLGOLLRUSA-N 1 0 397.288 2.792 20 0 GFADRO CC(C)Oc1cc(NC(=O)c2n[nH]c3c2C[NH2+]CC3)ccc1Br ZINC000877193516 662872146 /nfs/dbraw/zinc/87/21/46/662872146.db2.gz GVRNAEBEIKZXEY-UHFFFAOYSA-N 1 0 379.258 2.857 20 0 GFADRO CCOc1c(Br)cc(C(=O)N2C3CCC2(C[NH3+])CC3)cc1OC ZINC000877193127 662872170 /nfs/dbraw/zinc/87/21/70/662872170.db2.gz YOERFJZYWDAWOG-UHFFFAOYSA-N 1 0 383.286 2.952 20 0 GFADRO Cc1csc(C(=O)N2CCC[C@@H]3[NH2+]CC[C@@H]32)c1I ZINC000877276795 662872900 /nfs/dbraw/zinc/87/29/00/662872900.db2.gz IOLNACKHXVBVEM-UWVGGRQHSA-N 1 0 376.263 2.628 20 0 GFADRO COCCC1(NC(=O)[C@H]2[C@@H]3c4ccc(Br)cc4C[C@H]23)CC[NH2+]CC1 ZINC000877268655 662872904 /nfs/dbraw/zinc/87/29/04/662872904.db2.gz NTMTXPKNRVPKES-GVDBMIGSSA-N 1 0 393.325 2.610 20 0 GFADRO O=C(Nc1nnc([C@H]2CCCO2)s1)[C@@H]1C[NH2+]C[C@H]1c1ccc(Cl)cc1 ZINC000877269937 662872908 /nfs/dbraw/zinc/87/29/08/662872908.db2.gz DSBPTBBPOHJFKB-BFHYXJOUSA-N 1 0 378.885 2.985 20 0 GFADRO O=C(CCC[S@](=O)c1ccc(Br)cc1)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000877278146 662872996 /nfs/dbraw/zinc/87/29/96/662872996.db2.gz MBIGKBNROCYPGO-KXNSMUHISA-N 1 0 399.354 2.690 20 0 GFADRO Cc1cc(C(=O)N2CCC[C@@H]3[NH2+]CC[C@H]32)nn1-c1ccc(Br)cc1 ZINC000877281071 662873090 /nfs/dbraw/zinc/87/30/90/662873090.db2.gz YMAKZEDAMHEMHI-DOTOQJQBSA-N 1 0 389.297 2.910 20 0 GFADRO O=C(c1ccc(Cl)s1)N1CCC(C(=O)N2CCC[C@@H]3[NH2+]CC[C@H]32)CC1 ZINC000877281421 662873190 /nfs/dbraw/zinc/87/31/90/662873190.db2.gz LNYMRRCSCKEZLV-UONOGXRCSA-N 1 0 381.929 2.607 20 0 GFADRO O=C(CSc1nc2ccccc2s1)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000877336994 662873809 /nfs/dbraw/zinc/87/38/09/662873809.db2.gz VLBSMWGARSGASF-CYBMUJFWSA-N 1 0 377.535 2.663 20 0 GFADRO Cc1cc(CCC(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)ccc1Br ZINC000877332603 662873869 /nfs/dbraw/zinc/87/38/69/662873869.db2.gz DUWNMTOZYLDUCT-INIZCTEOSA-N 1 0 395.341 2.965 20 0 GFADRO O=C(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)c1c(F)cc(Br)cc1F ZINC000877337787 662873979 /nfs/dbraw/zinc/87/39/79/662873979.db2.gz WYRYNPBRASLUTN-NSHDSACASA-N 1 0 389.240 2.616 20 0 GFADRO CC(C)(C)n1ncc(C(=O)N2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1Br ZINC000877355027 662874184 /nfs/dbraw/zinc/87/41/84/662874184.db2.gz FWAWDIGKIONEKC-WPRPVWTQSA-N 1 0 397.239 2.610 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)c2ccc(Br)c(F)c2F)C[C@@H]1C(F)(F)F ZINC000877354938 662874199 /nfs/dbraw/zinc/87/41/99/662874199.db2.gz JOOGJDUXKJJPTI-XPUUQOCRSA-N 1 0 387.146 2.937 20 0 GFADRO COc1ccc(Br)c(C(=O)N2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1 ZINC000877369414 662874926 /nfs/dbraw/zinc/87/49/26/662874926.db2.gz YYOZURVAHTWMMJ-KWQFWETISA-N 1 0 381.192 2.667 20 0 GFADRO COc1ccc(C(=O)N(C)CCCCCC[NH3+])c(I)c1 ZINC000877439758 662876067 /nfs/dbraw/zinc/87/60/67/662876067.db2.gz SLYAYLQKBYCGGR-UHFFFAOYSA-N 1 0 390.265 2.891 20 0 GFADRO O=C(CS(=O)(=O)c1ccc(Cl)cc1)N[C@H]1CCCCC12CC[NH2+]CC2 ZINC000877401724 662875512 /nfs/dbraw/zinc/87/55/12/662875512.db2.gz NIFHNGUGIBRIBA-INIZCTEOSA-N 1 0 384.929 2.542 20 0 GFADRO O=C(N[C@H]1CCCCC12CC[NH2+]CC2)c1cnn2cc(Br)cnc12 ZINC000877405277 662875646 /nfs/dbraw/zinc/87/56/46/662875646.db2.gz GLFLKGMGSMNPIC-AWEZNQCLSA-N 1 0 392.301 2.534 20 0 GFADRO Cc1cc(C)cc([C@@H](O)C[NH2+]Cc2cnn3cc(Br)cnc23)c1 ZINC000877503517 662877305 /nfs/dbraw/zinc/87/73/05/662877305.db2.gz ONKYSENGBXSFIA-INIZCTEOSA-N 1 0 375.270 2.932 20 0 GFADRO O=C1CC[C@H]([NH+]2CCN(Cc3cc4nc(Cl)ccc4s3)CC2)CCN1 ZINC000877572687 662879172 /nfs/dbraw/zinc/87/91/72/662879172.db2.gz HITCTPUNOVQAMF-ZDUSSCGKSA-N 1 0 378.929 2.736 20 0 GFADRO O=[S@@](CC[NH2+]Cc1ccc(I)s1)CC(F)(F)F ZINC000877623060 662880196 /nfs/dbraw/zinc/88/01/96/662880196.db2.gz WZEJMGUUSWNODO-KRWDZBQOSA-N 1 0 397.225 2.753 20 0 GFADRO COC(=O)N(C)CC[NH2+][C@H]1CCN(C)[C@H](c2ccc(Br)cc2)C1 ZINC000877633431 662880459 /nfs/dbraw/zinc/88/04/59/662880459.db2.gz KXSDNIIISSXHEA-HOTGVXAUSA-N 1 0 384.318 2.872 20 0 GFADRO C[C@]12C[NH+](Cc3nc4ccc(Br)cc4s3)C[C@]1(C)C(=O)NC2=O ZINC000877668596 662881170 /nfs/dbraw/zinc/88/11/70/662881170.db2.gz RZDHVDUPUKOQCA-HZPDHXFCSA-N 1 0 394.294 2.543 20 0 GFADRO COc1c(Br)cccc1CN1CCC([NH+]2CCN(C)CC2)CC1 ZINC000877746635 662882736 /nfs/dbraw/zinc/88/27/36/662882736.db2.gz USNRJUNXMAIRIB-UHFFFAOYSA-N 1 0 382.346 2.670 20 0 GFADRO NS(=O)(=O)c1cccc(C[NH2+][C@@H]2[C@H]3Cc4ccc(Br)cc4[C@@H]23)c1 ZINC000877761238 662883048 /nfs/dbraw/zinc/88/30/48/662883048.db2.gz TYEQCXQMBSALNV-GVDBMIGSSA-N 1 0 393.306 2.524 20 0 GFADRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(Cc2ncccc2Br)CC1 ZINC000878020362 662888315 /nfs/dbraw/zinc/88/83/15/662888315.db2.gz JZYNPTWPSKLFFE-IYBDPMFKSA-N 1 0 381.362 2.835 20 0 GFADRO C[C@H](c1ccc([S@@](C)=O)cc1)[N@H+](C)C[C@H](O)c1cc(Br)no1 ZINC000878160305 662891055 /nfs/dbraw/zinc/89/10/55/662891055.db2.gz LJKGQHCVBQMZAZ-FWPWXVQSSA-N 1 0 387.299 2.901 20 0 GFADRO OC[C@H]([NH2+]C[C@@H](O)C[C@@H](O)c1ccccc1)c1ccc(Br)cc1 ZINC000878398237 662895492 /nfs/dbraw/zinc/89/54/92/662895492.db2.gz YWMJNBHRFALNJU-OKZBNKHCSA-N 1 0 380.282 2.557 20 0 GFADRO COC(=O)C1=NOC2(C1)CC[NH+](C[C@H](O)c1ccc(Cl)c(Cl)c1)CC2 ZINC000878400626 662895500 /nfs/dbraw/zinc/89/55/00/662895500.db2.gz FQPPDZSGWCGLCU-HNNXBMFYSA-N 1 0 387.263 2.811 20 0 GFADRO C[N@H+](CCNC(=O)c1cc(Br)nn1-c1ncccc1Cl)C1CC1 ZINC000878414946 662895757 /nfs/dbraw/zinc/89/57/57/662895757.db2.gz POJLGVNGFRUAQA-UHFFFAOYSA-N 1 0 398.692 2.507 20 0 GFADRO C[C@@](CO)([NH2+]C[C@H](O)CC1(CO)CCCC1)c1ccc(Br)cc1 ZINC000878603313 662900016 /nfs/dbraw/zinc/90/00/16/662900016.db2.gz XLAWUYOBPHVVAM-SJORKVTESA-N 1 0 386.330 2.550 20 0 GFADRO C[C@](CO)([NH2+]C[C@H]1CCC2(CCOCC2)O1)c1ccc(Br)cc1 ZINC000878603686 662900055 /nfs/dbraw/zinc/90/00/55/662900055.db2.gz GILBOUSOIRWHJJ-IAGOWNOFSA-N 1 0 384.314 2.974 20 0 GFADRO C[C@H](C[N@H+](C[C@H](O)c1cc(Br)no1)[C@@H](C)CO)c1ccccc1 ZINC000878620563 662900628 /nfs/dbraw/zinc/90/06/28/662900628.db2.gz ZLOAFXVBZKNFPM-IPYPFGDCSA-N 1 0 383.286 2.957 20 0 GFADRO C[C@H]1CN(C[C@H](O)c2cc(Br)no2)CC[N@H+](Cc2ccccc2)C1 ZINC000878682617 662902404 /nfs/dbraw/zinc/90/24/04/662902404.db2.gz POKCUPZULJZCBR-ZBFHGGJFSA-N 1 0 394.313 2.924 20 0 GFADRO C[N@H+](C[C@H](O)CC1(CO)CCCC1)C[C@H](O)c1ccccc1Br ZINC000878692015 662902763 /nfs/dbraw/zinc/90/27/63/662902763.db2.gz UQWHGXXNYBATTR-PBHICJAKSA-N 1 0 386.330 2.718 20 0 GFADRO COC(=O)c1cc(Br)ccc1NC(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879010405 662913130 /nfs/dbraw/zinc/91/31/30/662913130.db2.gz BPKNUSGSUPAVTI-IAQYHMDHSA-N 1 0 396.285 2.794 20 0 GFADRO COCCN(CC1CC[NH+](C)CC1)C(=O)Nc1ccc(Br)nc1C ZINC000879098568 662916304 /nfs/dbraw/zinc/91/63/04/662916304.db2.gz BAAIMFRCZNCWIW-UHFFFAOYSA-N 1 0 399.333 2.975 20 0 GFADRO C[NH+]1CCC2(CCN([C@@H](C(N)=O)c3cccc(Br)c3)CC2)CC1 ZINC000879249993 662921751 /nfs/dbraw/zinc/92/17/51/662921751.db2.gz JBXQIFYQBDEBLZ-MRXNPFEDSA-N 1 0 380.330 2.783 20 0 GFADRO CN(C(=O)Nc1cc(Br)nn1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000879642293 662932271 /nfs/dbraw/zinc/93/22/71/662932271.db2.gz MMYPQWRXEJXIRJ-CQSZACIVSA-N 1 0 392.301 2.921 20 0 GFADRO CC[N@H+](C)Cc1cccc(CNC(=O)Nc2cc(Br)nn2C)c1 ZINC000879645073 662933589 /nfs/dbraw/zinc/93/35/89/662933589.db2.gz JESJTQPSMATHGK-UHFFFAOYSA-N 1 0 380.290 2.956 20 0 GFADRO Cc1nn(C)c(NC(=O)N2CCN(c3cc[nH+]cc3)[C@@H](C)C2)c1Br ZINC000879703799 662937250 /nfs/dbraw/zinc/93/72/50/662937250.db2.gz XPTBDWNNMLTUQY-NSHDSACASA-N 1 0 393.289 2.629 20 0 GFADRO COCC[N@H+](C[C@@H](O)COc1cc(Cl)ccc1Cl)C1CCOCC1 ZINC000879706021 662937482 /nfs/dbraw/zinc/93/74/82/662937482.db2.gz IWJKYKKTHRYKDD-OAHLLOKOSA-N 1 0 378.296 2.861 20 0 GFADRO Cn1cc(NC(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)c(Br)n1 ZINC000880040214 662946380 /nfs/dbraw/zinc/94/63/80/662946380.db2.gz FHSVMVZKLJSEKD-AWEZNQCLSA-N 1 0 392.301 2.969 20 0 GFADRO Cn1cc(NC(=O)N(CCc2ccccc2)CC[NH+](C)C)c(Br)n1 ZINC000880041497 662946580 /nfs/dbraw/zinc/94/65/80/662946580.db2.gz SULGPAPUBYTJDB-UHFFFAOYSA-N 1 0 394.317 2.821 20 0 GFADRO O=C(CC[N@@H+]1CCNC(=O)CC12CCC2)Nc1ccccc1Br ZINC000880168682 662953476 /nfs/dbraw/zinc/95/34/76/662953476.db2.gz AVFPJPNMXCDLQR-UHFFFAOYSA-N 1 0 380.286 2.522 20 0 GFADRO CCOC(=O)c1csc(CC2CC[NH+](C[C@@H](O)CC(F)(F)F)CC2)n1 ZINC000880263843 662956744 /nfs/dbraw/zinc/95/67/44/662956744.db2.gz WFEFHOLEDJQFPQ-LBPRGKRZSA-N 1 0 380.432 2.888 20 0 GFADRO CC(=O)N1C[C@@H]2C[N@H+]([C@H]3CCN(c4ccc(Cl)c(Cl)c4)C3=O)C[C@@H]2C1 ZINC000880311462 662957599 /nfs/dbraw/zinc/95/75/99/662957599.db2.gz HLTMNELLRGVGLG-AHIWAGSCSA-N 1 0 382.291 2.509 20 0 GFADRO CO[C@H]1COCC[C@@H]1[N@H+](C)CC(=O)N(C)Cc1ccc(Cl)c(Cl)c1 ZINC000880426914 662959874 /nfs/dbraw/zinc/95/98/74/662959874.db2.gz YSPMAJAWWMMISQ-HOTGVXAUSA-N 1 0 375.296 2.688 20 0 GFADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)Nc1cccc(F)c1Br ZINC000881140052 662982902 /nfs/dbraw/zinc/98/29/02/662982902.db2.gz PRBGJFRRRFPWAM-GFCCVEGCSA-N 1 0 387.297 2.736 20 0 GFADRO Cc1nn(Cc2ccccc2)c(Cl)c1Cn1cc(CSCC[NH3+])nn1 ZINC000881227601 662985615 /nfs/dbraw/zinc/98/56/15/662985615.db2.gz CCNBRFJXNOPDFS-UHFFFAOYSA-N 1 0 376.917 2.725 20 0 GFADRO COc1ccc(C(=O)N2CCC[C@H]([NH2+]C3CCOCC3)C2)cc1Br ZINC000881468827 662995183 /nfs/dbraw/zinc/99/51/83/662995183.db2.gz GTBAGYVLDLPTJH-HNNXBMFYSA-N 1 0 397.313 2.831 20 0 GFADRO O=C(c1ccc(F)cc1Br)N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000881469686 662995204 /nfs/dbraw/zinc/99/52/04/662995204.db2.gz MKHWVWVPYRSGNG-CQSZACIVSA-N 1 0 385.277 2.961 20 0 GFADRO O=C(C(=O)N1CCC[C@@H]([NH2+]C2CCOCC2)C1)c1cc(Cl)cc(Cl)c1 ZINC000881477839 662995563 /nfs/dbraw/zinc/99/55/63/662995563.db2.gz JQFVGQSFBKJVEB-MRXNPFEDSA-N 1 0 385.291 2.936 20 0 GFADRO C[C@@H]1CCC[N@H+](CCNc2cnn(CC(F)(F)F)c(=O)c2Br)C1 ZINC000881809158 663004273 /nfs/dbraw/zinc/00/42/73/663004273.db2.gz RKWGSYNRRRTBIZ-SNVBAGLBSA-N 1 0 397.239 2.712 20 0 GFADRO C[S@@](=O)(=NS(=O)(=O)NCCCCC[NH+]1CCCC1)C1CCCCC1 ZINC000882221884 663021162 /nfs/dbraw/zinc/02/11/62/663021162.db2.gz CBMXJVPAMRVVMH-QHCPKHFHSA-N 1 0 379.592 2.517 20 0 GFADRO CC1([NH+]2CCC2)CCN(C(=O)Cc2ccc(I)cc2)CC1 ZINC000882509266 663029546 /nfs/dbraw/zinc/02/95/46/663029546.db2.gz LWVIOZPMZVVSEO-UHFFFAOYSA-N 1 0 398.288 2.921 20 0 GFADRO CC1([NH+]2CCC2)CCN(S(=O)(=O)c2ccc(Br)c(F)c2)CC1 ZINC000882767174 663041126 /nfs/dbraw/zinc/04/11/26/663041126.db2.gz DWRYQOWNYYFWTM-UHFFFAOYSA-N 1 0 391.306 2.837 20 0 GFADRO O=C(Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1)c1cc(Br)no1 ZINC000883152129 663050521 /nfs/dbraw/zinc/05/05/21/663050521.db2.gz JWIJNBUIVCWPBQ-CQSZACIVSA-N 1 0 391.269 2.974 20 0 GFADRO COc1cc(C[NH2+]C[C@H](O)C(F)(F)C(F)(F)F)cc(Br)c1O ZINC000883365612 663053923 /nfs/dbraw/zinc/05/39/23/663053923.db2.gz DJZALOMSWVBDOG-VIFPVBQESA-N 1 0 394.134 2.811 20 0 GFADRO O=C1Nc2ccc(Br)cc2CC[C@@H]1[NH2+]Cc1ccc(CO)cc1 ZINC000883386272 663054623 /nfs/dbraw/zinc/05/46/23/663054623.db2.gz CPIDWFOQKRYOKQ-KRWDZBQOSA-N 1 0 375.266 2.985 20 0 GFADRO CN(Cc1cscc1Br)C(=O)NCC1([NH+](C)C)CCOCC1 ZINC000883411226 663054900 /nfs/dbraw/zinc/05/49/00/663054900.db2.gz SLOSQVHSPJYTOG-UHFFFAOYSA-N 1 0 390.347 2.763 20 0 GFADRO [NH3+]CCCN(CC(F)(F)F)S(=O)(=O)Cc1cccc(C(F)(F)F)c1 ZINC000883470585 663055628 /nfs/dbraw/zinc/05/56/28/663055628.db2.gz ZJYQASJNLQLCEP-UHFFFAOYSA-N 1 0 378.338 2.748 20 0 GFADRO CCC1([NH3+])CCN(C(=O)Nc2cccc(C(=O)OC)c2Br)CC1 ZINC000883560033 663057184 /nfs/dbraw/zinc/05/71/84/663057184.db2.gz SFVXRWZVPSWPBG-UHFFFAOYSA-N 1 0 384.274 2.971 20 0 GFADRO CCC1([NH3+])CCN(C(=O)C(=O)Nc2ccc(Cl)cc2Br)CC1 ZINC000883627762 663058413 /nfs/dbraw/zinc/05/84/13/663058413.db2.gz OAVGXPCGFSXGAW-UHFFFAOYSA-N 1 0 388.693 2.771 20 0 GFADRO O=C(NC[C@H]1CCCC[NH2+]1)c1cc(Br)nn1-c1ncccc1Cl ZINC000884017821 663063832 /nfs/dbraw/zinc/06/38/32/663063832.db2.gz HBHDBXCPUOAWRL-SNVBAGLBSA-N 1 0 398.692 2.555 20 0 GFADRO COc1ccc(CCNC(=O)[C@@H]([NH3+])c2ccc(Br)cc2)cc1OC ZINC000884047610 663064202 /nfs/dbraw/zinc/06/42/02/663064202.db2.gz BZOHFZBVYBCXDI-KRWDZBQOSA-N 1 0 393.281 2.825 20 0 GFADRO COCCOc1ccc(CNC(=O)[C@H]([NH3+])c2ccc(Br)cc2)cc1 ZINC000884082029 663064615 /nfs/dbraw/zinc/06/46/15/663064615.db2.gz RULOFNBJHIADQX-QGZVFWFLSA-N 1 0 393.281 2.791 20 0 GFADRO [NH3+][C@H](C(=O)NCc1ccc2c(c1)OCCCO2)c1ccc(Br)cc1 ZINC000884108955 663065364 /nfs/dbraw/zinc/06/53/64/663065364.db2.gz QONURZXUJXEJFC-KRWDZBQOSA-N 1 0 391.265 2.927 20 0 GFADRO CCOc1ccc(Br)cc1CN(C(=O)[C@@H]([NH3+])CCOC)C1CC1 ZINC000884126808 663065651 /nfs/dbraw/zinc/06/56/51/663065651.db2.gz LHKIBVOEPFTWSF-HNNXBMFYSA-N 1 0 385.302 2.703 20 0 GFADRO Cc1ncc2c(n1)CCC[C@H]2NC(=O)[C@H]([NH3+])c1ccc(Br)cc1 ZINC000884137083 663065798 /nfs/dbraw/zinc/06/57/98/663065798.db2.gz CVVFMKREAQTFLK-HZPDHXFCSA-N 1 0 375.270 2.741 20 0 GFADRO [NH3+][C@H](C(=O)NCc1ccnc(N2CCCC2)c1)c1ccc(Br)cc1 ZINC000884183607 663066740 /nfs/dbraw/zinc/06/67/40/663066740.db2.gz ROTXXBNKUCBSJS-KRWDZBQOSA-N 1 0 389.297 2.761 20 0 GFADRO [NH3+][C@H](CC1CC1)C(=O)NC1CCN(Cc2ccc(Br)cc2)CC1 ZINC000884232272 663067383 /nfs/dbraw/zinc/06/73/83/663067383.db2.gz MQYLDLJUJJNIBL-QGZVFWFLSA-N 1 0 380.330 2.657 20 0 GFADRO Cc1cc(Br)c(O)c(NC(=O)c2ccnc(N3CC[NH2+]CC3)c2)c1 ZINC000884315004 663068800 /nfs/dbraw/zinc/06/88/00/663068800.db2.gz CTFGBIALSSXSKM-UHFFFAOYSA-N 1 0 391.269 2.520 20 0 GFADRO O=C(COCCc1ccc(Br)cc1)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000884336648 663069298 /nfs/dbraw/zinc/06/92/98/663069298.db2.gz UPLSRFCUJJBXEG-WMZOPIPTSA-N 1 0 395.341 2.999 20 0 GFADRO C[S@@](=O)C1(C(=O)Nc2nc(-c3c(F)cccc3F)cs2)CC[NH2+]CC1 ZINC000884447775 663070949 /nfs/dbraw/zinc/07/09/49/663070949.db2.gz IMLHVBFVMBDYJA-RUZDIDTESA-N 1 0 385.461 2.528 20 0 GFADRO C[C@H](NC(=O)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cccc(Cl)c1Cl ZINC000884532651 663072161 /nfs/dbraw/zinc/07/21/61/663072161.db2.gz NRGVTFPTNJLUSE-RVMXOQNASA-N 1 0 384.307 2.817 20 0 GFADRO O=S(=O)(Cc1ccc(OC(F)(F)F)cc1)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000884950533 663079234 /nfs/dbraw/zinc/07/92/34/663079234.db2.gz PFQXVSCQCCTLFN-KGLIPLIRSA-N 1 0 378.416 2.631 20 0 GFADRO O=S(=O)(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1cc(Cl)ccc1OC(F)F ZINC000884960468 663079901 /nfs/dbraw/zinc/07/99/01/663079901.db2.gz WAKWUFSEJIIABX-RYUDHWBXSA-N 1 0 380.844 2.847 20 0 GFADRO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000884970993 663081667 /nfs/dbraw/zinc/08/16/67/663081667.db2.gz XPJXKTLHBVYHBK-ZDUSSCGKSA-N 1 0 386.323 2.846 20 0 GFADRO Cc1cc(Br)ccc1CS(=O)(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000885031580 663083341 /nfs/dbraw/zinc/08/33/41/663083341.db2.gz MFFJNZNCQNZPSO-XJKSGUPXSA-N 1 0 389.359 2.859 20 0 GFADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1ccc2nc(Cl)cnc2c1 ZINC000885456989 663091068 /nfs/dbraw/zinc/09/10/68/663091068.db2.gz KGGPSCMQOVBYRJ-OLZOCXBDSA-N 1 0 380.901 2.531 20 0 GFADRO O=C(Cc1ccc(F)c(Br)c1)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000885862242 663099436 /nfs/dbraw/zinc/09/94/36/663099436.db2.gz DNAFUBNZZLHMJP-CQSZACIVSA-N 1 0 385.277 2.500 20 0 GFADRO O=C(NC[C@@H]1CC[N@@H+]1C1CCOCC1)c1cc(C(F)(F)F)cnc1Cl ZINC000885880501 663100124 /nfs/dbraw/zinc/10/01/24/663100124.db2.gz RTVJITWRRNXUOI-LBPRGKRZSA-N 1 0 377.794 2.737 20 0 GFADRO Cc1c(Br)cccc1CC(=O)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000885882471 663100339 /nfs/dbraw/zinc/10/03/39/663100339.db2.gz IJOYRMPIEPKOGV-MRXNPFEDSA-N 1 0 381.314 2.670 20 0 GFADRO O=C(NC[C@H]1CC[N@@H+]1C1CCOCC1)c1ncc(C(F)(F)F)cc1Cl ZINC000885895988 663100841 /nfs/dbraw/zinc/10/08/41/663100841.db2.gz RCLDILNUERHLIM-GFCCVEGCSA-N 1 0 377.794 2.737 20 0 GFADRO COc1ccc(C[NH2+]C[C@H](O)Cc2ccccc2F)c(Br)c1O ZINC000886234670 663105494 /nfs/dbraw/zinc/10/54/94/663105494.db2.gz SLMXGJDHVHSVRS-CYBMUJFWSA-N 1 0 384.245 2.996 20 0 GFADRO COc1nsc(C[NH2+]C[C@@H](O)Cc2ccccc2F)c1Br ZINC000886236190 663105625 /nfs/dbraw/zinc/10/56/25/663105625.db2.gz BBXRBJVTAWXRLQ-JTQLQIEISA-N 1 0 375.263 2.747 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+][C@H]1CC[C@@H](O)[C@@H](O)CC1 ZINC000886259801 663106353 /nfs/dbraw/zinc/10/63/53/663106353.db2.gz IMDFOKFCDPOOSQ-VBUUOAMHSA-N 1 0 394.313 2.697 20 0 GFADRO CC[NH+]1CCN(CCC(=O)N2CCc3cc(C)c(Br)cc3C2)CC1 ZINC000886284745 663106757 /nfs/dbraw/zinc/10/67/57/663106757.db2.gz JAXFPTHHLGJCHO-UHFFFAOYSA-N 1 0 394.357 2.670 20 0 GFADRO COc1ncc(Br)cc1C[NH2+]C[C@@H]1CC[C@]2(CO[C@@H](C)[C@H]2C)O1 ZINC000886336933 663108496 /nfs/dbraw/zinc/10/84/96/663108496.db2.gz YOOCORCRNCAZSA-PZNPJNSTSA-N 1 0 385.302 2.915 20 0 GFADRO COC[C@H]([NH2+]Cc1cnc2c(C)cc(Br)cn12)[C@H]1CCCOC1 ZINC000886357937 663108979 /nfs/dbraw/zinc/10/89/79/663108979.db2.gz NGRYWAZNROMPSE-BBRMVZONSA-N 1 0 382.302 2.936 20 0 GFADRO Cn1nc(Br)cc1C[NH2+][C@H]1CC(=O)N(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000886374514 663109227 /nfs/dbraw/zinc/10/92/27/663109227.db2.gz DPJVQOPBQVUUJX-XJKSGUPXSA-N 1 0 399.239 2.522 20 0 GFADRO C[C@H]([NH2+]CCN1CCNC1=O)c1ccc(Br)cc1Br ZINC000886740622 663116738 /nfs/dbraw/zinc/11/67/38/663116738.db2.gz CTRFMNICSWEOQG-VIFPVBQESA-N 1 0 391.107 2.887 20 0 GFADRO OC[C@]1(C(F)(F)F)CC[N@H+](C[C@@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000886793320 663118913 /nfs/dbraw/zinc/11/89/13/663118913.db2.gz HAMLNOUNXNMRQR-YGRLFVJLSA-N 1 0 388.213 2.980 20 0 GFADRO OC[C@@]1(C(F)(F)F)CC[N@H+](C[C@@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000886793319 663118955 /nfs/dbraw/zinc/11/89/55/663118955.db2.gz HAMLNOUNXNMRQR-QMTHXVAHSA-N 1 0 388.213 2.980 20 0 GFADRO COc1ccc(NC(=O)CC[N@@H+]2CC[C@@](CO)(C(F)(F)F)C2)cc1Cl ZINC000886805777 663119299 /nfs/dbraw/zinc/11/92/99/663119299.db2.gz JPXJUVBPZFROAB-OAHLLOKOSA-N 1 0 380.794 2.924 20 0 GFADRO COC[C@H]([NH2+]C[C@@H](O)COc1c(Cl)cccc1Cl)[C@@H]1CCCOC1 ZINC000886906344 663124490 /nfs/dbraw/zinc/12/44/90/663124490.db2.gz VRPXCWARLNJCET-IOASZLSFSA-N 1 0 378.296 2.764 20 0 GFADRO COC[C@H]([NH2+]C[C@H](O)COc1cc(Cl)ccc1Cl)[C@H]1CCCOC1 ZINC000886906421 663124493 /nfs/dbraw/zinc/12/44/93/663124493.db2.gz WXKFHGDBJKVUON-NOLJZWGESA-N 1 0 378.296 2.764 20 0 GFADRO COC[C@H]([NH2+]C[C@H](O)c1ccc(F)c(Br)c1)[C@@H]1CCCOC1 ZINC000886915384 663124703 /nfs/dbraw/zinc/12/47/03/663124703.db2.gz CZMSBDHYVHDNPQ-KCXAZCMYSA-N 1 0 376.266 2.653 20 0 GFADRO COC[C@H]([NH2+]CCC(=O)Nc1cccc(Br)c1)[C@H]1CCCOC1 ZINC000886913532 663124790 /nfs/dbraw/zinc/12/47/90/663124790.db2.gz DSFINCXEYGAIJZ-BBRMVZONSA-N 1 0 385.302 2.809 20 0 GFADRO [NH3+]C[C@H]1CC[C@H](NC(=O)C(=O)Nc2cc(Br)c3ccccc3c2)C1 ZINC000886983581 663127391 /nfs/dbraw/zinc/12/73/91/663127391.db2.gz CGWNMYXRYLCTNL-AAEUAGOBSA-N 1 0 390.281 2.784 20 0 GFADRO C[C@@H](Cc1nc(-c2cn(C[C@@H]3CCC[NH2+]3)nn2)cs1)n1cc(Cl)cn1 ZINC000887446665 663146804 /nfs/dbraw/zinc/14/68/04/663146804.db2.gz HVRFUWWCGHGCRM-AAEUAGOBSA-N 1 0 377.905 2.807 20 0 GFADRO Cc1sc(-c2cncc(Br)c2)nc1-c1cn(C[C@@H](C)[NH3+])nn1 ZINC000887532454 663151349 /nfs/dbraw/zinc/15/13/49/663151349.db2.gz FFUVBVZFBLZOKE-MRVPVSSYSA-N 1 0 379.287 2.882 20 0 GFADRO C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)Nc1cc(Br)ccn1 ZINC000888029984 663176058 /nfs/dbraw/zinc/17/60/58/663176058.db2.gz RITVUQMPOZLBQM-LBPRGKRZSA-N 1 0 376.258 2.982 20 0 GFADRO Cn1cc(C(=O)NCC(C)(C)[N@@H+]2CCc3ccccc3C2)c(Br)n1 ZINC000888065699 663177682 /nfs/dbraw/zinc/17/76/82/663177682.db2.gz JTLJLXQBPHSFJT-UHFFFAOYSA-N 1 0 391.313 2.749 20 0 GFADRO C[C@H]1C[C@@H](C(=O)Nc2cc(Cl)ccc2Sc2nnnn2C)CC[N@@H+]1C ZINC000888594004 663206938 /nfs/dbraw/zinc/20/69/38/663206938.db2.gz RKLIDKCHSPIJHL-QWRGUYRKSA-N 1 0 380.905 2.684 20 0 GFADRO C[NH+](C)CCC[C@@H]1CN(C(=O)Nc2nc3ccc(Cl)nc3s2)CCO1 ZINC000888795890 663217132 /nfs/dbraw/zinc/21/71/32/663217132.db2.gz XAXOHRGUTAAVOP-LLVKDONJSA-N 1 0 383.905 2.919 20 0 GFADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)Nc1cc(Br)c2ccccc2c1 ZINC000889474211 663246566 /nfs/dbraw/zinc/24/65/66/663246566.db2.gz XRKZZTRCUYWZOM-OAHLLOKOSA-N 1 0 391.313 2.970 20 0 GFADRO O=C(C/C=C/c1ccc(Br)cc1)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000889740120 663261931 /nfs/dbraw/zinc/26/19/31/663261931.db2.gz UQAHZQYKHYTZOZ-BARYYXIYSA-N 1 0 393.325 2.910 20 0 GFADRO Cc1ccc(F)c(Br)c1C(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000889743289 663262609 /nfs/dbraw/zinc/26/26/09/663262609.db2.gz NCBIPZJTQDXLCZ-KGLIPLIRSA-N 1 0 385.277 2.568 20 0 GFADRO O=C(c1cccc(Br)c1Cl)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000889763935 663265000 /nfs/dbraw/zinc/26/50/00/663265000.db2.gz VJGYDWWRZKHBKU-ZIAGYGMSSA-N 1 0 387.705 2.774 20 0 GFADRO COCCC1(NC(=O)NCc2cc(Br)ccc2F)CC[NH2+]CC1 ZINC000891362696 663337307 /nfs/dbraw/zinc/33/73/07/663337307.db2.gz CJFXCQNVQXVTEO-UHFFFAOYSA-N 1 0 388.281 2.546 20 0 GFADRO Cc1cc(Br)ccc1CNC(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000891538745 663343059 /nfs/dbraw/zinc/34/30/59/663343059.db2.gz UDBCZIPRZIPDRD-MRXNPFEDSA-N 1 0 396.329 2.715 20 0 GFADRO Nc1cc[nH+]c(CNC(=O)N[C@H]2CCN(c3ccccc3Br)C2)c1 ZINC000891542551 663343229 /nfs/dbraw/zinc/34/32/29/663343229.db2.gz VPYXDPOSBRIWQP-ZDUSSCGKSA-N 1 0 390.285 2.504 20 0 GFADRO CCn1c(Br)c(Br)nc1CN1CC[NH+](C2CC2)CC1 ZINC000891578192 663344430 /nfs/dbraw/zinc/34/44/30/663344430.db2.gz JOOAUFGQYYDZIO-UHFFFAOYSA-N 1 0 392.139 2.708 20 0 GFADRO CSCc1cc(F)ccc1CNC(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000891666009 663346758 /nfs/dbraw/zinc/34/67/58/663346758.db2.gz YAKORSHWWQHYAG-JSGCOSHPSA-N 1 0 379.423 2.967 20 0 GFADRO CC(=O)Nc1cc(Br)ccc1CN1CCC(c2nncn2C)CC1 ZINC000891693155 663347776 /nfs/dbraw/zinc/34/77/76/663347776.db2.gz BHGMOQNCUITETH-UHFFFAOYSA-N 1 0 392.301 2.916 20 0 GFADRO Cc1ccc(Br)cc1CNC(=O)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000891833075 663352253 /nfs/dbraw/zinc/35/22/53/663352253.db2.gz YDCFETWMEPPKRN-LBPRGKRZSA-N 1 0 376.245 2.802 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)NCc2ccsc2Br)C[C@H]1C(F)(F)F ZINC000891889115 663354523 /nfs/dbraw/zinc/35/45/23/663354523.db2.gz JULWXSREHVPVLI-RKDXNWHRSA-N 1 0 386.237 2.789 20 0 GFADRO C[C@H](NC(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1)[C@H]1OCCc2sccc21 ZINC000891914186 663355388 /nfs/dbraw/zinc/35/53/88/663355388.db2.gz FPMQEQYWGUUIIM-BQSGVUBFSA-N 1 0 377.432 2.529 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)NCCOc2ccc(F)c(Cl)c2)C[C@@H]1C(F)(F)F ZINC000891928814 663355815 /nfs/dbraw/zinc/35/58/15/663355815.db2.gz CRMSNRVHFJUCPJ-ONGXEEELSA-N 1 0 383.773 2.637 20 0 GFADRO COC[C@H](NC(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1)c1cccc(Br)c1 ZINC000891981514 663357395 /nfs/dbraw/zinc/35/73/95/663357395.db2.gz LMQGKSAZVWMLMO-XPKDYRNWSA-N 1 0 384.318 2.824 20 0 GFADRO CC[N@H+](C[C@@]1(C)CCCN(C(=O)OC(C)(C)C)C1)[C@@H](C)CS(C)(=O)=O ZINC000892041025 663360140 /nfs/dbraw/zinc/36/01/40/663360140.db2.gz FCGWVGJTNXFFAU-MAUKXSAKSA-N 1 0 376.563 2.779 20 0 GFADRO C[C@H]1CN(Cc2cnc(CC(F)(F)F)s2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000892153303 663363567 /nfs/dbraw/zinc/36/35/67/663363567.db2.gz NXIAHBBSYVJGQW-DZGCQCFKSA-N 1 0 376.492 2.706 20 0 GFADRO COC[C@@H](NC(=O)N[C@H]1CC[NH2+]C12CCC2)c1cccc(Br)c1 ZINC000892275566 663367924 /nfs/dbraw/zinc/36/79/24/663367924.db2.gz XSYQQEAGFMLJHG-CABCVRRESA-N 1 0 382.302 2.720 20 0 GFADRO C[NH2+]C[C@@H]1CCCN(C(=O)N[C@@H]2[C@H]3Cc4c(cccc4Br)[C@@H]23)C1 ZINC000892322062 663369151 /nfs/dbraw/zinc/36/91/51/663369151.db2.gz IDMUUEFHGPADRI-HYEYJGRESA-N 1 0 378.314 2.728 20 0 GFADRO O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)N[C@@H]1[C@H]2Cc3c(cccc3Br)[C@@H]12 ZINC000892324055 663369546 /nfs/dbraw/zinc/36/95/46/663369546.db2.gz ZRVRCBZUKWUVRN-ZEIKPHRKSA-N 1 0 390.325 2.917 20 0 GFADRO CC1(C)CC[C@H](CNC(=O)N2CCC(n3cc(Br)cn3)CC2)[NH2+]C1 ZINC000892391816 663372096 /nfs/dbraw/zinc/37/20/96/663372096.db2.gz LOKDZGSISGGTGZ-CQSZACIVSA-N 1 0 398.349 2.770 20 0 GFADRO C[NH2+]C[C@@H]1CCCN(C(=O)N[C@@H]2[C@H]3Cc4cc(Br)ccc4[C@@H]23)C1 ZINC000892426880 663373395 /nfs/dbraw/zinc/37/33/95/663373395.db2.gz KKBKUDVGLHDVSK-IAOMBJDPSA-N 1 0 378.314 2.728 20 0 GFADRO [NH3+]CC12CCC(CC1)N2C(=O)N[C@@H]1[C@@H]2Cc3ccc(Br)cc3[C@@H]21 ZINC000892454518 663374305 /nfs/dbraw/zinc/37/43/05/663374305.db2.gz VCMBKUCUJLTXJK-FMJRBIFOSA-N 1 0 376.298 2.753 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(C(=O)NCCSCCC(F)(F)F)C2)C1 ZINC000892541609 663376886 /nfs/dbraw/zinc/37/68/86/663376886.db2.gz CZANOVOAEAANSZ-MJBXVCDLSA-N 1 0 383.480 2.600 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]1C1CCN(C(=O)NCc2ccc(C(F)(F)F)s2)CC1 ZINC000892699027 663382281 /nfs/dbraw/zinc/38/22/81/663382281.db2.gz BYLVFYAJMIPRAI-OCCSQVGLSA-N 1 0 377.432 2.805 20 0 GFADRO C[C@@]1(NC(=O)c2cnc3ncc(Br)cc3c2)C[NH+]2CCC1CC2 ZINC000892775025 663384331 /nfs/dbraw/zinc/38/43/31/663384331.db2.gz WWBVXBMDDPYSHW-QGZVFWFLSA-N 1 0 375.270 2.606 20 0 GFADRO Cc1csc(C(=O)N[C@]2(C)C[NH+]3CCC2CC3)c1I ZINC000892775414 663384431 /nfs/dbraw/zinc/38/44/31/663384431.db2.gz ZYELUJFAWOEKCS-CQSZACIVSA-N 1 0 390.290 2.875 20 0 GFADRO C[C@]1(NC(=O)c2cnc3ncc(Br)cc3c2)C[NH+]2CCC1CC2 ZINC000892775024 663384435 /nfs/dbraw/zinc/38/44/35/663384435.db2.gz WWBVXBMDDPYSHW-KRWDZBQOSA-N 1 0 375.270 2.606 20 0 GFADRO C[C@@]1(NC(=O)c2ccc(F)cc2I)C[NH+]2CCC1CC2 ZINC000892789356 663384821 /nfs/dbraw/zinc/38/48/21/663384821.db2.gz QMBDQNYHVDUYHB-OAHLLOKOSA-N 1 0 388.224 2.644 20 0 GFADRO Cn1cc(C(=O)N2C[C@H]([NH+](C)C)CCc3ccccc32)c(Br)n1 ZINC000892860090 663387074 /nfs/dbraw/zinc/38/70/74/663387074.db2.gz IRXVCXXICYUUIQ-CYBMUJFWSA-N 1 0 377.286 2.706 20 0 GFADRO CC(C)NS(=O)(=O)Cc1ccc(C[NH2+]C[C@H]2C[C@@]2(C)Br)cc1 ZINC000892930384 663390031 /nfs/dbraw/zinc/39/00/31/663390031.db2.gz VPEQGEDMUPEAIT-HZPDHXFCSA-N 1 0 389.359 2.778 20 0 GFADRO O[C@H](C[NH2+]Cc1cn2ccnc2s1)COc1ccccc1Br ZINC000893171476 663400015 /nfs/dbraw/zinc/40/00/15/663400015.db2.gz FBAJATROGDOSSR-LLVKDONJSA-N 1 0 382.283 2.688 20 0 GFADRO CO[C@H](c1ccc(Br)cc1)[C@H](C)[NH2+][C@H](C)[C@H]1CCS(=O)(=O)C1 ZINC000893297470 663405858 /nfs/dbraw/zinc/40/58/58/663405858.db2.gz MOWZEUDSCLDDNQ-DSPQJCBJSA-N 1 0 390.343 2.938 20 0 GFADRO CO[C@@H](c1ccc(Br)cc1)[C@H](C)[NH2+]C1CC(S(C)(=O)=O)C1 ZINC000893297476 663405918 /nfs/dbraw/zinc/40/59/18/663405918.db2.gz MTNXMWBJJSGPOG-LJTLINHESA-N 1 0 376.316 2.690 20 0 GFADRO NC(=O)[C@@H](C[NH2+]Cc1cnc(CC(F)(F)F)s1)Cc1ccc(F)cc1 ZINC000893310449 663406689 /nfs/dbraw/zinc/40/66/89/663406689.db2.gz CVCLNVKEHJEPIU-LLVKDONJSA-N 1 0 375.391 2.821 20 0 GFADRO COc1ccc([C@@H](CNCc2nc(Br)nn2C)[NH+]2CCCC2)cc1 ZINC000894139779 663445278 /nfs/dbraw/zinc/44/52/78/663445278.db2.gz HJZWWFGBBZMTHH-OAHLLOKOSA-N 1 0 394.317 2.513 20 0 GFADRO COC(=O)CC1([NH2+]Cc2sc(N3CCOCC3)nc2Cl)CCCCC1 ZINC000894139494 663445293 /nfs/dbraw/zinc/44/52/93/663445293.db2.gz DZJIRIVYGYWFFH-UHFFFAOYSA-N 1 0 387.933 2.989 20 0 GFADRO CO[C@@H]1CC[C@@H]1N(C)C(=O)NCCc1cn2cc(Br)cc(C)c2n1 ZINC000894166101 663446407 /nfs/dbraw/zinc/44/64/07/663446407.db2.gz HMNDAZYGXVQMTA-LSDHHAIUSA-N 1 0 395.301 2.767 20 0 GFADRO Cn1cc(C[NH2+]CCc2c(F)cccc2F)c(I)n1 ZINC000894194258 663447931 /nfs/dbraw/zinc/44/79/31/663447931.db2.gz PVSCQAOWEYYMBA-UHFFFAOYSA-N 1 0 377.176 2.635 20 0 GFADRO COc1ccc(Br)c(C(=O)NCCC[NH2+]Cc2ocnc2C)c1 ZINC000894232356 663450054 /nfs/dbraw/zinc/45/00/54/663450054.db2.gz WEDYBFPNIKJXNM-UHFFFAOYSA-N 1 0 382.258 2.664 20 0 GFADRO Cc1ncc2c(n1)CCC[C@@H]2NCc1sc(N2CCOCC2)nc1Cl ZINC000894256846 663451141 /nfs/dbraw/zinc/45/11/41/663451141.db2.gz GWUQFYKYQRRCMC-ZDUSSCGKSA-N 1 0 379.917 2.899 20 0 GFADRO C[C@H](O)C[C@@H](C[NH2+]Cc1c(I)cnn1C)c1ccccc1 ZINC000894339666 663455758 /nfs/dbraw/zinc/45/57/58/663455758.db2.gz GOSGSECGKNUIFG-JSGCOSHPSA-N 1 0 399.276 2.669 20 0 GFADRO C[C@@H](O)C[C@H](C[NH2+]Cc1cn(C)nc1I)c1ccccc1 ZINC000894340789 663455920 /nfs/dbraw/zinc/45/59/20/663455920.db2.gz RBXPYOZININUNU-TZMCWYRMSA-N 1 0 399.276 2.669 20 0 GFADRO C[C@H](C[C@@H](O)c1ccccc1)[NH2+]Cc1c(I)cnn1C ZINC000894366983 663458487 /nfs/dbraw/zinc/45/84/87/663458487.db2.gz IWATYOUKCBUWBW-IAQYHMDHSA-N 1 0 385.249 2.627 20 0 GFADRO Cc1cccc(C[N@@H+]2CCC[C@@H]2C[C@]2(C)NC(=O)NC2=O)c1Br ZINC000894417521 663460243 /nfs/dbraw/zinc/46/02/43/663460243.db2.gz PEXWTXRLBNXPEP-DYVFJYSZSA-N 1 0 380.286 2.710 20 0 GFADRO C[C@@H](NC(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO)c1ccc(Br)cc1 ZINC000894456164 663462658 /nfs/dbraw/zinc/46/26/58/663462658.db2.gz MKIBWPBKROPDHD-XOKHGSTOSA-N 1 0 396.329 2.751 20 0 GFADRO O=C(NCCCCc1ccc(Cl)s1)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000894682117 663475867 /nfs/dbraw/zinc/47/58/67/663475867.db2.gz UUTFVDNRGLWDET-JKSUJKDBSA-N 1 0 385.961 2.965 20 0 GFADRO COc1ccc(C[NH2+]C[C@@H](CO)Cc2ccc(OC)c(Br)c2)nc1 ZINC000894750934 663479324 /nfs/dbraw/zinc/47/93/24/663479324.db2.gz NMOSSFCXFILQIP-AWEZNQCLSA-N 1 0 395.297 2.802 20 0 GFADRO COc1ccc(C[C@@H](CO)C[NH2+]C2CCC(C)(O)CC2)cc1Br ZINC000894750695 663479458 /nfs/dbraw/zinc/47/94/58/663479458.db2.gz KICZKLRWXVCCDV-KSTDHSDQSA-N 1 0 386.330 2.892 20 0 GFADRO Cn1nc(Br)nc1CN(CC[NH+](C)C)Cc1cccc(Cl)c1 ZINC000894767115 663480379 /nfs/dbraw/zinc/48/03/79/663480379.db2.gz SNTRGMZIORNJNG-UHFFFAOYSA-N 1 0 386.725 2.795 20 0 GFADRO Cn1nc(Br)nc1C[NH2+]CCc1cnc(SC2CCCC2)nc1 ZINC000894864561 663485561 /nfs/dbraw/zinc/48/55/61/663485561.db2.gz CTQHILOYGMXGMC-UHFFFAOYSA-N 1 0 397.346 2.735 20 0 GFADRO CCOc1cc(C[NH2+]C[C@H]2COCO2)cc(Br)c1OC(F)F ZINC000894873788 663486122 /nfs/dbraw/zinc/48/61/22/663486122.db2.gz TVKQGJBHPJBTSI-JTQLQIEISA-N 1 0 382.201 2.912 20 0 GFADRO CCOC(=O)[C@@H]1CC[C@H]([NH2+]CCC(C)(C)S(C)(=O)=O)C[C@@H]1C(F)(F)F ZINC000894911602 663487939 /nfs/dbraw/zinc/48/79/39/663487939.db2.gz ZVLCVLBIKOKMLV-XQQFMLRXSA-N 1 0 387.464 2.700 20 0 GFADRO CC(=O)Nc1cc(Br)ccc1C[NH2+]C[C@H](C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000895204624 663503387 /nfs/dbraw/zinc/50/33/87/663503387.db2.gz GMJZYPWRAWZUAV-MELADBBJSA-N 1 0 398.345 2.995 20 0 GFADRO Cn1ncc(I)c1CN[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000895275069 663506366 /nfs/dbraw/zinc/50/63/66/663506366.db2.gz QUWSTWUBJAYFEF-GFCCVEGCSA-N 1 0 388.297 2.521 20 0 GFADRO CC(C)(C)OC(=O)N1CCC[C@@](C)(C[NH2+]CC[S@@](=O)CC(F)(F)F)C1 ZINC000895314144 663507595 /nfs/dbraw/zinc/50/75/95/663507595.db2.gz QWACEYVLYKSYGI-ODCWNRFASA-N 1 0 386.480 2.924 20 0 GFADRO CC(C)(C)OC(=O)N1CCC[C@](C)(C[NH2+]CC[S@@](=O)CC(F)(F)F)C1 ZINC000895314145 663507701 /nfs/dbraw/zinc/50/77/01/663507701.db2.gz QWACEYVLYKSYGI-SGANQWHYSA-N 1 0 386.480 2.924 20 0 GFADRO CCOC(=O)[C@]1(C)CCC[C@H]1[NH2+]Cc1sc(N2CCOCC2)nc1Cl ZINC000895339929 663508898 /nfs/dbraw/zinc/50/88/98/663508898.db2.gz DAYOJHSZZQCNKZ-CXAGYDPISA-N 1 0 387.933 2.845 20 0 GFADRO Cn1cc(C[NH2+][C@@H]2[C@H]3Cc4cc(F)ccc4[C@@H]23)c(I)n1 ZINC000895341799 663509103 /nfs/dbraw/zinc/50/91/03/663509103.db2.gz FZMRKDFLMJIGAP-BFHYXJOUSA-N 1 0 383.208 2.592 20 0 GFADRO CC(C)(C)OC(=O)N(CCO)C1CC[NH+](C[C@@H]2C[C@@]2(C)Br)CC1 ZINC000895744466 663526128 /nfs/dbraw/zinc/52/61/28/663526128.db2.gz QWKBJFZGBKFUIB-SUMWQHHRSA-N 1 0 391.350 2.854 20 0 GFADRO O=C1NCC2(CCOCC2)[C@H]1[NH2+]Cc1cc(Br)c(Cl)s1 ZINC000895767653 663526708 /nfs/dbraw/zinc/52/67/08/663526708.db2.gz AEEZBHXXHDEMBI-JTQLQIEISA-N 1 0 379.707 2.549 20 0 GFADRO CC(C)(C)OC(=O)N[C@@H](CC(F)F)C[N@@H+]1CC[C@@](CO)(C(F)(F)F)C1 ZINC000895837162 663529640 /nfs/dbraw/zinc/52/96/40/663529640.db2.gz RRMQRQSUMDYDLM-IINYFYTJSA-N 1 0 376.366 2.782 20 0 GFADRO CC(C)[N@@H+]1CC[C@H](CNC(=O)COCCc2ccc(Br)cc2)C1 ZINC000895944043 663534370 /nfs/dbraw/zinc/53/43/70/663534370.db2.gz MKUQQHVEQIRUEI-MRXNPFEDSA-N 1 0 383.330 2.855 20 0 GFADRO Cn1cc(-c2nc(-c3ccc(OCC[NH+](C)C)cc3)no2)c(Br)n1 ZINC000896016591 663537721 /nfs/dbraw/zinc/53/77/21/663537721.db2.gz CWHVCUWVXAJGKV-UHFFFAOYSA-N 1 0 392.257 2.840 20 0 GFADRO Cc1cc(C(F)(F)F)nn1CC[NH2+]Cc1ncc(Br)cc1O ZINC000896268745 663547992 /nfs/dbraw/zinc/54/79/92/663547992.db2.gz JWKXWVXTSMDTOU-UHFFFAOYSA-N 1 0 379.180 2.863 20 0 GFADRO Cc1cc(C)c(C(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCN2C)c(C)c1Br ZINC000896529474 663560753 /nfs/dbraw/zinc/56/07/53/663560753.db2.gz ZYHVLNMNIXQCLR-GJZGRUSLSA-N 1 0 382.346 2.738 20 0 GFADRO CC[C@H](Cc1cccc(Br)c1)C(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCN1C ZINC000896566311 663564615 /nfs/dbraw/zinc/56/46/15/663564615.db2.gz YJWIICUGQFBKQW-KYJSFNMBSA-N 1 0 396.373 2.768 20 0 GFADRO C[N@@H+]1C[C@H]2CCN(C(=O)N[C@@H]3CCOc4ccc(Br)cc43)[C@@H]2C1 ZINC000896619010 663568530 /nfs/dbraw/zinc/56/85/30/663568530.db2.gz SKBBAFHKSQLPRW-KCPJHIHWSA-N 1 0 380.286 2.618 20 0 GFADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)COCCc2ccc(Br)cc2)C1 ZINC000896754450 663574736 /nfs/dbraw/zinc/57/47/36/663574736.db2.gz GPXGAVZFHPFCKV-INIZCTEOSA-N 1 0 383.330 2.808 20 0 GFADRO O=C(CCCc1ccc(Br)cc1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000896857147 663579614 /nfs/dbraw/zinc/57/96/14/663579614.db2.gz SSBRJZFEUYPZBD-QGZVFWFLSA-N 1 0 395.341 2.953 20 0 GFADRO C[C@@H]1C[C@@H](C[NH2+]CC(C)(C)CS(C)(=O)=O)CCN1C(=O)OC(C)(C)C ZINC000896870854 663580154 /nfs/dbraw/zinc/58/01/54/663580154.db2.gz SJOWQWFVHKSJEE-CABCVRRESA-N 1 0 376.563 2.682 20 0 GFADRO O=C(C1C[NH+](C2CCOCC2)C1)N1CCc2c(F)cc(Br)cc2C1 ZINC000896972154 663583613 /nfs/dbraw/zinc/58/36/13/663583613.db2.gz HBLVSMGTFGWOEE-UHFFFAOYSA-N 1 0 397.288 2.584 20 0 GFADRO O[C@@]1(c2ccc(Br)cc2)CCC[N@H+](Cc2cnc3cnccn23)C1 ZINC000897032543 663587757 /nfs/dbraw/zinc/58/77/57/663587757.db2.gz CUZSRDCMEGETGY-SFHVURJKSA-N 1 0 387.281 2.975 20 0 GFADRO CCOC(=O)C1([C@H](C)[NH2+]Cc2cncc(Br)c2C)CCOCC1 ZINC000897740795 663617857 /nfs/dbraw/zinc/61/78/57/663617857.db2.gz HCTMUPHRYMDTFZ-ZDUSSCGKSA-N 1 0 385.302 2.991 20 0 GFADRO C[N@@H+]1CC[C@@H](NC(=O)C(=O)NCc2cscc2Cl)[C@H]1c1ccccc1 ZINC000897923763 663625915 /nfs/dbraw/zinc/62/59/15/663625915.db2.gz GSXJZCJBMHWLJM-HZPDHXFCSA-N 1 0 377.897 2.579 20 0 GFADRO O=C(NCc1cc(Cl)cc(Br)c1)C1C[NH+](C2CCOCC2)C1 ZINC000897972749 663627453 /nfs/dbraw/zinc/62/74/53/663627453.db2.gz AMBMONCSVTWZDL-UHFFFAOYSA-N 1 0 387.705 2.830 20 0 GFADRO O=C1Nc2ncc(Br)cc2C[C@@H]1[NH2+][C@@H]1CC[C@@H]2COCC[C@H]2C1 ZINC000897977667 663628001 /nfs/dbraw/zinc/62/80/01/663628001.db2.gz HHESEZINXGGXNC-DRABBMOASA-N 1 0 380.286 2.502 20 0 GFADRO CO[C@@H](C[NH2+][C@@H]1Cc2cc(Br)cnc2NC1=O)Cc1ccccc1 ZINC000897977423 663628042 /nfs/dbraw/zinc/62/80/42/663628042.db2.gz FYLFRNNPSYQAGE-HZPDHXFCSA-N 1 0 390.281 2.555 20 0 GFADRO O=C1Nc2ncc(Br)cc2C[C@@H]1[NH2+][C@@H]1CCOC2(CCCC2)C1 ZINC000897978527 663628693 /nfs/dbraw/zinc/62/86/93/663628693.db2.gz RBBSMJYWVSINTO-KGLIPLIRSA-N 1 0 380.286 2.789 20 0 GFADRO COc1ccc(C[NH2+]C[C@@]2(c3cnn(C)c3)CCCO2)c(Br)c1O ZINC000898056709 663631639 /nfs/dbraw/zinc/63/16/39/663631639.db2.gz MKGTUEWQVUDYDU-QGZVFWFLSA-N 1 0 396.285 2.692 20 0 GFADRO O=c1cc(N2CC[C@@H]([NH2+]Cc3ccc(Br)c(Cl)c3)C2)nc[nH]1 ZINC000898153353 663636272 /nfs/dbraw/zinc/63/62/72/663636272.db2.gz VVDUDDZDSRBHDC-LLVKDONJSA-N 1 0 383.677 2.967 20 0 GFADRO O=C(Cc1cc(F)ccc1Br)NC1CC[NH+](C2CCOCC2)CC1 ZINC000898634182 663658696 /nfs/dbraw/zinc/65/86/96/663658696.db2.gz KROBKSRCMZFXRW-UHFFFAOYSA-N 1 0 399.304 2.890 20 0 GFADRO OCCCCOc1ccccc1C[NH2+][C@H]1CCc2ncc(Br)n2C1 ZINC000898719246 663660244 /nfs/dbraw/zinc/66/02/44/663660244.db2.gz DBMHYRMLYUXUGY-HNNXBMFYSA-N 1 0 394.313 2.902 20 0 GFADRO OCCCCOc1ccccc1C[NH2+][C@@H]1CCc2ncc(Br)n2C1 ZINC000898719248 663660299 /nfs/dbraw/zinc/66/02/99/663660299.db2.gz DBMHYRMLYUXUGY-OAHLLOKOSA-N 1 0 394.313 2.902 20 0 GFADRO CCc1cc(C(=O)N2CCC(CO)([NH2+]CC3CC3)CC2)ccc1Br ZINC000899211142 663679949 /nfs/dbraw/zinc/67/99/49/663679949.db2.gz CBAANQUDJRNARZ-UHFFFAOYSA-N 1 0 395.341 2.978 20 0 GFADRO C[NH+]1CCC(CNC(=S)NNc2cc(Br)ccc2F)CC1 ZINC000899587355 663694592 /nfs/dbraw/zinc/69/45/92/663694592.db2.gz KYTBJEJWOZENSY-UHFFFAOYSA-N 1 0 375.311 2.721 20 0 GFADRO C[N@H+](CCO)CCNC(=O)Cc1csc(-c2ccc(Cl)cc2Cl)n1 ZINC000899732999 663699548 /nfs/dbraw/zinc/69/95/48/663699548.db2.gz QTLYYWQELQOMBT-UHFFFAOYSA-N 1 0 388.320 2.700 20 0 GFADRO CC(C)[NH+]1CCN(CCCC(=O)NCc2ccc(Br)s2)CC1 ZINC000900138826 663709011 /nfs/dbraw/zinc/70/90/11/663709011.db2.gz RITVPLYHBZNVNP-UHFFFAOYSA-N 1 0 388.375 2.933 20 0 GFADRO COCc1c(Br)cccc1NC(=O)CCN1CC[NH+](C(C)C)CC1 ZINC000900488637 663715552 /nfs/dbraw/zinc/71/55/52/663715552.db2.gz JUAQSMBLXWIPPI-UHFFFAOYSA-N 1 0 398.345 2.950 20 0 GFADRO C[C@H](NC(=O)c1c(Cl)cc(F)cc1Br)[C@@H]1C[N@H+](C)CCN1C ZINC000900811943 663722121 /nfs/dbraw/zinc/72/21/21/663722121.db2.gz PVOQJZQAIAWVQM-ZANVPECISA-N 1 0 392.700 2.606 20 0 GFADRO C[C@H](NC(=O)C12CC[NH+](CC1)C2)c1nc(-c2ccc(Br)cc2)no1 ZINC000901059627 663729699 /nfs/dbraw/zinc/72/96/99/663729699.db2.gz CHGVHNDFWBNRLP-NSHDSACASA-N 1 0 391.269 2.772 20 0 GFADRO CCOc1cc(Br)ccc1NC(=O)c1ccnn1CC[NH+](C)C ZINC000901095971 663730413 /nfs/dbraw/zinc/73/04/13/663730413.db2.gz RFQNYJKSFPCDSS-UHFFFAOYSA-N 1 0 381.274 2.858 20 0 GFADRO C[C@H]1Cc2ccc(Br)cc2CN1C(=O)C[C@@]1(O)CCC[N@H+](C)C1 ZINC000901280473 663733656 /nfs/dbraw/zinc/73/36/56/663733656.db2.gz ZSOJAQRGEJGMQA-UGSOOPFHSA-N 1 0 381.314 2.569 20 0 GFADRO Cc1ccccc1CNC(=O)[C@H](C)[NH2+][C@@H]1CCc2ncc(Br)n2C1 ZINC000901728116 663743704 /nfs/dbraw/zinc/74/37/04/663743704.db2.gz KXTYSOCSPXBJBM-DZGCQCFKSA-N 1 0 391.313 2.563 20 0 GFADRO CC(C)C[C@H]1CN(C)CC[N@@H+]1Cn1nc(Br)c(=O)c2ccccc21 ZINC000902541966 663762862 /nfs/dbraw/zinc/76/28/62/663762862.db2.gz KICJDKGGYZYIFJ-AWEZNQCLSA-N 1 0 393.329 2.779 20 0 GFADRO Cn1c2ccc(Cl)cc2n(CN2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)c1=S ZINC000902644428 663765056 /nfs/dbraw/zinc/76/50/56/663765056.db2.gz OSJKUPFMCZQZBI-HOTGVXAUSA-N 1 0 380.945 2.851 20 0 GFADRO CCCn1cc([C@H](C)[NH2+]C[C@H](CO)Cc2ccccc2Br)nn1 ZINC000902972559 663770181 /nfs/dbraw/zinc/77/01/81/663770181.db2.gz GCYACFFCXQQHHT-UONOGXRCSA-N 1 0 381.318 2.952 20 0 GFADRO Brc1cccc(N2CC[C@H](C[NH2+][C@H]3CCO[C@]34CCOC4)C2)c1 ZINC000903076610 663772399 /nfs/dbraw/zinc/77/23/99/663772399.db2.gz SMYAJJRIJDVVRZ-JLSDUUJJSA-N 1 0 381.314 2.813 20 0 GFADRO C[C@@H]([NH2+]C[C@](C)(O)C(F)(F)F)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000903130680 663775214 /nfs/dbraw/zinc/77/52/14/663775214.db2.gz NRPJFIVLIWEMEY-KCJUWKMLSA-N 1 0 379.322 2.944 20 0 GFADRO CCNC(=O)C(C)(C)C[NH2+][C@@H](C)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000903139486 663775399 /nfs/dbraw/zinc/77/53/99/663775399.db2.gz LLBXCKGOYCPDRF-NSHDSACASA-N 1 0 380.432 2.793 20 0 GFADRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]CCCCS(C)(=O)=O)CC(C)(C)C1 ZINC000903192366 663777759 /nfs/dbraw/zinc/77/77/59/663777759.db2.gz MFBBDMOKBWOUEH-OAHLLOKOSA-N 1 0 376.563 2.827 20 0 GFADRO CCS(=O)(=O)CCC[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)CC(C)(C)C1 ZINC000903190745 663777764 /nfs/dbraw/zinc/77/77/64/663777764.db2.gz YXHMGJSHMMXRTO-OAHLLOKOSA-N 1 0 376.563 2.827 20 0 GFADRO CN1C[C@@H](CC[NH2+][C@H]2CCc3ccc(I)cc32)CC1=O ZINC000903211195 663778597 /nfs/dbraw/zinc/77/85/97/663778597.db2.gz RQAHEAIBGBZXAR-NHYWBVRUSA-N 1 0 384.261 2.737 20 0 GFADRO Brc1ccc(-n2ccc(C[NH2+][C@@H]3CCO[C@]34CCOC4)n2)cc1 ZINC000903220128 663778793 /nfs/dbraw/zinc/77/87/93/663778793.db2.gz KVRXKHKJBLBIMM-SJORKVTESA-N 1 0 378.270 2.672 20 0 GFADRO Cc1cc(CC[NH2+][C@H](C)c2cccc(S(=O)(=O)C(F)(F)F)c2)nn1C ZINC000903224597 663778937 /nfs/dbraw/zinc/77/89/37/663778937.db2.gz YVNZTKZOECNHNL-GFCCVEGCSA-N 1 0 375.416 2.915 20 0 GFADRO CS(C)(=O)=NS(=O)(=O)CC[NH2+][C@H]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000903226128 663779149 /nfs/dbraw/zinc/77/91/49/663779149.db2.gz LJFYEHSKLMEZEB-HIFRSBDPSA-N 1 0 378.947 2.623 20 0 GFADRO CC[C@@](O)(CCC(F)(F)F)C[NH2+][C@H](C)c1cccc(S(=O)(=O)NC)c1 ZINC000903256773 663780538 /nfs/dbraw/zinc/78/05/38/663780538.db2.gz QBFKKLDOPKSXLH-IUODEOHRSA-N 1 0 382.448 2.729 20 0 GFADRO Cn1nnnc1CCC[NH2+][C@@H](c1ccc(Br)cc1)c1cccnc1 ZINC000903351658 663782370 /nfs/dbraw/zinc/78/23/70/663782370.db2.gz NUBRRJFEGCTOQP-KRWDZBQOSA-N 1 0 387.285 2.679 20 0 GFADRO CO[C@]1(C[NH2+][C@H]2CCc3cc(Br)cc(C)c32)CCS(=O)(=O)C1 ZINC000903363672 663782674 /nfs/dbraw/zinc/78/26/74/663782674.db2.gz QNIGMUNRXIHLBX-HOCLYGCPSA-N 1 0 388.327 2.538 20 0 GFADRO CO[C@@]1(C[NH2+][C@H]2CCCc3cc(Br)ccc32)CCS(=O)(=O)C1 ZINC000903363604 663782738 /nfs/dbraw/zinc/78/27/38/663782738.db2.gz PGVSBQZYYIWVNT-JKSUJKDBSA-N 1 0 388.327 2.620 20 0 GFADRO CO[C@@]1(C[NH2+][C@@H](C)c2sc(-c3ccccc3)nc2C)CCS(=O)(=O)C1 ZINC000903369451 663783140 /nfs/dbraw/zinc/78/31/40/663783140.db2.gz XNFIHBODVDMGKA-SCLBCKFNSA-N 1 0 380.535 2.973 20 0 GFADRO O=c1cc(N2CC[C@@H]([NH2+][C@@H](c3nc(Br)cs3)C3CC3)C2)nc[nH]1 ZINC000903399530 663783697 /nfs/dbraw/zinc/78/36/97/663783697.db2.gz NPWWQXCZMSNUHX-QMTHXVAHSA-N 1 0 396.314 2.721 20 0 GFADRO C[C@@H]([NH2+][C@@H]1CCc2ncc(Br)n2C1)c1cccc(-n2ccnn2)c1 ZINC000903478582 663785358 /nfs/dbraw/zinc/78/53/58/663785358.db2.gz HBZZNPJNJJCDIA-TZMCWYRMSA-N 1 0 387.285 2.892 20 0 GFADRO O=S(=O)(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1c[nH]c2cc(Br)ccc21 ZINC000903515963 663786648 /nfs/dbraw/zinc/78/66/48/663786648.db2.gz DMYPBEVGVUDHMJ-LMKPVCQUSA-N 1 0 398.326 2.739 20 0 GFADRO C[C@@H](NS(=O)(=O)c1c[nH]c2cc(Br)ccc21)C1CC[NH2+]CC1 ZINC000903516206 663786674 /nfs/dbraw/zinc/78/66/74/663786674.db2.gz KLKYTSRRTCPGED-SNVBAGLBSA-N 1 0 386.315 2.597 20 0 GFADRO C[C@H](C(=O)Nc1ccccc1Br)N1CC[C@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000903536040 663787764 /nfs/dbraw/zinc/78/77/64/663787764.db2.gz ZQXYFNJMEDDCGY-SCVCMEIPSA-N 1 0 394.235 2.988 20 0 GFADRO [NH3+]CC1([C@H]2CCCCN2S(=O)(=O)c2ccc(Br)o2)CCC1 ZINC000903548220 663788398 /nfs/dbraw/zinc/78/83/98/663788398.db2.gz XJJHGJDGWKYOGH-LLVKDONJSA-N 1 0 377.304 2.714 20 0 GFADRO [NH3+][C@H]1CN(S(=O)(=O)c2cccc(Cl)c2Cl)CC[C@@H]1C(F)(F)F ZINC000903579025 663790126 /nfs/dbraw/zinc/79/01/26/663790126.db2.gz LEUWEIRUDBVRBE-CBAPKCEASA-N 1 0 377.215 2.894 20 0 GFADRO C[C@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)C(=O)N1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903721369 663805047 /nfs/dbraw/zinc/80/50/47/663805047.db2.gz RBNBUMAXHZUCCN-YRGRVCCFSA-N 1 0 386.323 2.956 20 0 GFADRO O[C@H](COc1c(Cl)cccc1Cl)CN1CC[NH2+]CCC12CCOCC2 ZINC000903819682 663807753 /nfs/dbraw/zinc/80/77/53/663807753.db2.gz LTBIGYGCUWMILV-AWEZNQCLSA-N 1 0 389.323 2.578 20 0 GFADRO [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1nc(Cc3cccc(Br)c3)no1)C2 ZINC000903843358 663808571 /nfs/dbraw/zinc/80/85/71/663808571.db2.gz JILAJNYJJBYEAX-CFVMTHIKSA-N 1 0 377.286 2.735 20 0 GFADRO COc1ccc(Br)c(CN(C)Cc2cnnn2[C@@H]2CCC[NH2+]C2)c1 ZINC000903912856 663811079 /nfs/dbraw/zinc/81/10/79/663811079.db2.gz JBEBVDDKSIDQPE-CQSZACIVSA-N 1 0 394.317 2.606 20 0 GFADRO N[C@H](C[NH2+]C1CCN(Cc2cccc(Br)c2)CC1)CC(F)F ZINC000903929128 663812261 /nfs/dbraw/zinc/81/22/61/663812261.db2.gz AQCFHGOXRCFEIE-AWEZNQCLSA-N 1 0 376.289 2.986 20 0 GFADRO CCOc1ccc([C@]2(c3nc(N4CC[NH2+]CC4)no3)CC2(Cl)Cl)cc1 ZINC000904126985 663825638 /nfs/dbraw/zinc/82/56/38/663825638.db2.gz ZOIREHVYGREVIY-INIZCTEOSA-N 1 0 383.279 2.742 20 0 GFADRO COCC[C@H]1C[NH2+]CCN1C(=O)Nc1c(F)cc(Br)cc1F ZINC000904354961 663831252 /nfs/dbraw/zinc/83/12/52/663831252.db2.gz ICDRBICLALJBTQ-JTQLQIEISA-N 1 0 378.217 2.570 20 0 GFADRO COCC[C@H]1C[NH2+]CCN1C(=O)Nc1cc(F)cc(Br)c1F ZINC000904453783 663835075 /nfs/dbraw/zinc/83/50/75/663835075.db2.gz UEHDWFQMOOYEKE-JTQLQIEISA-N 1 0 378.217 2.570 20 0 GFADRO O=C1Nc2ccc(Br)cc2[C@@H]1Cc1nc(C2CC[NH2+]CC2)no1 ZINC000904493576 663836269 /nfs/dbraw/zinc/83/62/69/663836269.db2.gz KBYRUVHUDZJSDI-LBPRGKRZSA-N 1 0 377.242 2.578 20 0 GFADRO COCCOc1ccc(NC(=O)N2C[C@H]([NH3+])C(C)(C)C2)cc1Br ZINC000904548470 663837291 /nfs/dbraw/zinc/83/72/91/663837291.db2.gz LFRXUDIEXWTBLH-AWEZNQCLSA-N 1 0 386.290 2.675 20 0 GFADRO COCCOc1ccc(NC(=O)N2CC[C@@H]3CC[C@@]32C[NH3+])cc1Br ZINC000904548421 663837309 /nfs/dbraw/zinc/83/73/09/663837309.db2.gz KIJCQHANWQJMNI-YVEFUNNKSA-N 1 0 398.301 2.819 20 0 GFADRO COCCOc1ccc(NC(=O)N2CC[C@@H](CC[NH3+])C2)cc1Br ZINC000904548521 663837429 /nfs/dbraw/zinc/83/74/29/663837429.db2.gz MBSSUYNAJSECLI-GFCCVEGCSA-N 1 0 386.290 2.677 20 0 GFADRO COCCOc1ccc(NC(=O)NC2(C)CC[NH2+]CC2)cc1Br ZINC000904552352 663838148 /nfs/dbraw/zinc/83/81/48/663838148.db2.gz VJTGRCBRNFIACX-UHFFFAOYSA-N 1 0 386.290 2.738 20 0 GFADRO [NH3+]Cc1ccccc1NC(=O)NC[C@@H](CO)Cc1ccccc1Br ZINC000904637893 663839088 /nfs/dbraw/zinc/83/90/88/663839088.db2.gz BZIFTVCCARYLRS-ZDUSSCGKSA-N 1 0 392.297 2.881 20 0 GFADRO CC(C)C[C@@H]([NH3+])Cc1nc(CNC(=O)c2ccc(Br)cc2)no1 ZINC000904714318 663842037 /nfs/dbraw/zinc/84/20/37/663842037.db2.gz VEJKAGREOKEMPQ-CYBMUJFWSA-N 1 0 381.274 2.678 20 0 GFADRO Cc1csc([C@](O)(CC(=O)N2CCC[C@@H](C)[C@H]2CC[NH3+])C(F)(F)F)n1 ZINC000904927348 663847795 /nfs/dbraw/zinc/84/77/95/663847795.db2.gz CDHHVMADCNRTLH-IXPVHAAZSA-N 1 0 379.448 2.567 20 0 GFADRO CNS(=O)(=O)c1ccc(C[NH2+]C[C@H](O)c2ccc(Cl)c(Cl)c2)s1 ZINC000905027876 663849887 /nfs/dbraw/zinc/84/98/87/663849887.db2.gz WUQBOIBDHFKETH-ZDUSSCGKSA-N 1 0 395.333 2.786 20 0 GFADRO O[C@H](CCC1(O)CCC1)C[NH2+][C@@H]1CCN(c2ccccc2Br)C1 ZINC000905102775 663853329 /nfs/dbraw/zinc/85/33/29/663853329.db2.gz GUXZGOFLKJNYRI-HUUCEWRRSA-N 1 0 383.330 2.674 20 0 GFADRO CC(C)(C)NS(=O)(=O)C1([C@@H](O)C[NH2+]CC(C)(C)c2cccs2)CCC1 ZINC000905116794 663853917 /nfs/dbraw/zinc/85/39/17/663853917.db2.gz JAIMWLFKNSOYIB-AWEZNQCLSA-N 1 0 388.599 2.617 20 0 GFADRO O[C@@H](CCC1(O)CCC1)C[NH2+]CCOc1ncc(C(F)(F)F)cc1Cl ZINC000905130929 663854338 /nfs/dbraw/zinc/85/43/38/663854338.db2.gz AEYHTAZBGASVSY-LBPRGKRZSA-N 1 0 382.810 2.778 20 0 GFADRO C[C@](O)(C[NH2+]Cc1ccc(S(C)(=O)=O)c(Cl)c1)C(F)(F)C(F)(F)F ZINC000905231645 663861137 /nfs/dbraw/zinc/86/11/37/663861137.db2.gz KYWJIPQAEOYMJQ-NSHDSACASA-N 1 0 395.777 2.782 20 0 GFADRO CC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCC([C@@H]3[NH2+]CC3(C)C)CC2)c1 ZINC000905355520 663867275 /nfs/dbraw/zinc/86/72/75/663867275.db2.gz FVLBACPVKYPJLR-KRWDZBQOSA-N 1 0 384.929 2.941 20 0 GFADRO C[C@H](NS(=O)(=O)CC1CC[NH2+]CC1)c1cc(F)c(Br)cc1F ZINC000905363144 663867579 /nfs/dbraw/zinc/86/75/79/663867579.db2.gz ZPLHBSQHWGDIBM-VIFPVBQESA-N 1 0 397.285 2.707 20 0 GFADRO O[C@H](CC[C@H](O)C[NH2+]C[C@@H](O)c1cccc(Br)c1)c1ccccc1 ZINC000905370497 663867908 /nfs/dbraw/zinc/86/79/08/663867908.db2.gz FAZLGUQWMRDRKX-IPMKNSEASA-N 1 0 394.309 2.947 20 0 GFADRO CS(=O)(=O)C1CCC(C[NH2+]C[C@H](O)c2ccccc2C(F)(F)F)CC1 ZINC000905510770 663875023 /nfs/dbraw/zinc/87/50/23/663875023.db2.gz ZXWXUPAYXHLVER-ZUEPYMLJSA-N 1 0 379.444 2.932 20 0 GFADRO CC(C)O[C@@]1(C[NH2+]C[C@@](C)(O)c2ccc(Br)cc2F)CCOC1 ZINC000905559440 663878292 /nfs/dbraw/zinc/87/82/92/663878292.db2.gz WKMJMDHKAOPTSJ-IAGOWNOFSA-N 1 0 390.293 2.969 20 0 GFADRO C[C@](O)(C[NH2+]C[C@@H]1C[C@@H]2COC[C@@H]2O1)c1ccc(Br)cc1Cl ZINC000905573327 663879184 /nfs/dbraw/zinc/87/91/84/663879184.db2.gz VLZZFMSBAZOQRY-LPGAHRBXSA-N 1 0 390.705 2.704 20 0 GFADRO O[C@H](C[NH2+]C[C@H]1CCN1C1CCOCC1)COc1ccc(Cl)c(Cl)c1 ZINC000905620145 663881997 /nfs/dbraw/zinc/88/19/97/663881997.db2.gz CFBIBAVCSDWSJT-HUUCEWRRSA-N 1 0 389.323 2.576 20 0 GFADRO OCCc1ccc(C[NH2+]C[C@H](O)COc2cccc(Br)c2)cc1 ZINC000905692606 663886636 /nfs/dbraw/zinc/88/66/36/663886636.db2.gz WLZIUTSXRUZCSV-KRWDZBQOSA-N 1 0 380.282 2.513 20 0 GFADRO CC1(C)CC(NC(=O)c2cc(Br)cn(C3CC3)c2=O)CC(C)(C)[NH2+]1 ZINC000905745909 663891029 /nfs/dbraw/zinc/89/10/29/663891029.db2.gz PXIZDCGOABVPHF-UHFFFAOYSA-N 1 0 396.329 2.985 20 0 GFADRO C[C@H](CNC(=O)c1c(Cl)ccc(I)c1F)[NH+](C)C ZINC000906072312 663921421 /nfs/dbraw/zinc/92/14/21/663921421.db2.gz IFPQPWWGQAMMRC-SSDOTTSWSA-N 1 0 384.620 2.764 20 0 GFADRO COc1ccc(CCC(=O)N(C)c2cc(C[NH3+])ccn2)cc1Br ZINC000906223939 663932679 /nfs/dbraw/zinc/93/26/79/663932679.db2.gz KVGLUVLQUMHZBW-UHFFFAOYSA-N 1 0 378.270 2.907 20 0 GFADRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1cc(Br)cn(C2CC2)c1=O ZINC000906388234 663944428 /nfs/dbraw/zinc/94/44/28/663944428.db2.gz BMTOFEGMLYZKDG-CHWSQXEVSA-N 1 0 396.329 2.796 20 0 GFADRO CCCC[NH+]1CCC(NC(=O)c2nscc2I)CC1 ZINC000906632943 663961732 /nfs/dbraw/zinc/96/17/32/663961732.db2.gz ZDQJPLYHFIALIF-UHFFFAOYSA-N 1 0 393.294 2.742 20 0 GFADRO [NH3+]C1(CNC(=O)C(=O)Nc2ccccc2SC[C@@H]2CC2(Cl)Cl)CC1 ZINC000906697698 663965892 /nfs/dbraw/zinc/96/58/92/663965892.db2.gz QCGNEGVIVSHUSW-JTQLQIEISA-N 1 0 388.320 2.519 20 0 GFADRO COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)NC1(C2CC[NH2+]CC2)CC1 ZINC000906715951 663966702 /nfs/dbraw/zinc/96/67/02/663966702.db2.gz CXLXWFDSYBKDKL-UHFFFAOYSA-N 1 0 386.279 2.589 20 0 GFADRO COc1c(Cl)cc(NC(=O)C(=O)NC2(C3CC[NH2+]CC3)CC2)cc1Cl ZINC000906714793 663966878 /nfs/dbraw/zinc/96/68/78/663966878.db2.gz BSFADIUOHSSOHO-UHFFFAOYSA-N 1 0 386.279 2.589 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)C(=O)NC1(C2CC[NH2+]CC2)CC1 ZINC000906714829 663966897 /nfs/dbraw/zinc/96/68/97/663966897.db2.gz CVMCFPNWBXHGRB-UHFFFAOYSA-N 1 0 394.313 2.598 20 0 GFADRO O=C(NC[C@H]1CCCCC[NH2+]1)C(=O)Nc1ccc(Cl)cc1OC(F)F ZINC000906741034 663968101 /nfs/dbraw/zinc/96/81/01/663968101.db2.gz XSCPOVGCXMHVOG-LLVKDONJSA-N 1 0 375.803 2.528 20 0 GFADRO [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(=O)Nc1ccc(C(F)(F)F)cc1Cl)C2 ZINC000906754622 663968674 /nfs/dbraw/zinc/96/86/74/663968674.db2.gz DZMBBLQWTXVJQH-GDPRMGEGSA-N 1 0 375.778 2.636 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(Br)cn(C3CC3)c2=O)C[C@@H]1C ZINC000906783263 663970416 /nfs/dbraw/zinc/97/04/16/663970416.db2.gz YHYWZFVYDGUVLO-SWLSCSKDSA-N 1 0 396.329 2.891 20 0 GFADRO C[NH+](C)C1CCN(S(=O)(=O)c2c[nH]c3c2cccc3Br)CC1 ZINC000906835128 663974873 /nfs/dbraw/zinc/97/48/73/663974873.db2.gz XPGORPRSBKKTDR-UHFFFAOYSA-N 1 0 386.315 2.645 20 0 GFADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)C(F)(F)c2ncccc2Br)C1 ZINC000906848154 663976264 /nfs/dbraw/zinc/97/62/64/663976264.db2.gz UMQGUJZBPJEHCW-NSHDSACASA-N 1 0 376.245 2.736 20 0 GFADRO C[C@H]1C[C@H](NS(=O)(=O)c2c[nH]c3cc(Br)ccc32)CC[N@@H+]1C ZINC000906985522 663988966 /nfs/dbraw/zinc/98/89/66/663988966.db2.gz AVNUTHPOGAMZSK-CMPLNLGQSA-N 1 0 386.315 2.691 20 0 GFADRO C[NH+](C)Cc1ccsc1C(=O)N[C@@H]1CCc2ncc(Br)n2C1 ZINC000907279126 664018593 /nfs/dbraw/zinc/01/85/93/664018593.db2.gz QPQKZBZGMAIZRG-LLVKDONJSA-N 1 0 383.315 2.514 20 0 GFADRO CC(C)N1CCc2nc(NC(=O)C[C@H](O)C(Cl)(Cl)Cl)sc2C1 ZINC000907322782 664023117 /nfs/dbraw/zinc/02/31/17/664023117.db2.gz ZOQLGGJODCWANU-JTQLQIEISA-N 1 0 386.732 2.969 20 0 GFADRO CCOC(=O)C[C@@H](NC(=O)Cc1c[nH]cn1)c1cccc(Br)c1 ZINC000907332682 664024376 /nfs/dbraw/zinc/02/43/76/664024376.db2.gz ZQZFSXOFFHWEJH-CQSZACIVSA-N 1 0 380.242 2.525 20 0 GFADRO CCOC(=O)C[C@H](NC(=O)C12CC[NH+](CC1)C2)c1cccc(Br)c1 ZINC000907332334 664024456 /nfs/dbraw/zinc/02/44/56/664024456.db2.gz TYUWYODBQDTWPU-HNNXBMFYSA-N 1 0 395.297 2.655 20 0 GFADRO C[NH+]1CCC2(CCN2S(=O)(=O)Cc2ccsc2Br)CC1 ZINC000907856610 664066328 /nfs/dbraw/zinc/06/63/28/664066328.db2.gz BSKOCCVGRKVUHC-UHFFFAOYSA-N 1 0 379.345 2.511 20 0 GFADRO Cc1cc(Br)c(F)cc1S(=O)(=O)N1CCC12CC[NH+](C)CC2 ZINC000907857035 664066418 /nfs/dbraw/zinc/06/64/18/664066418.db2.gz HPCLHNOABKSGIE-UHFFFAOYSA-N 1 0 391.306 2.755 20 0 GFADRO CN(C)C(=O)Sc1cc(NC(=O)C2CN(C)CC[N@H+](C)C2)ccc1Cl ZINC000908194726 664091081 /nfs/dbraw/zinc/09/10/81/664091081.db2.gz FPJVFKRTMYUJPW-UHFFFAOYSA-N 1 0 384.933 2.546 20 0 GFADRO Cc1cc(C)c(CC(=O)N2CC[C@@H]([N@@H+]3CC[C@@H](O)C3)C2)c(C)c1Br ZINC000908198996 664091431 /nfs/dbraw/zinc/09/14/31/664091431.db2.gz BILIBQKBEKLNLD-HZPDHXFCSA-N 1 0 395.341 2.584 20 0 GFADRO CC(C)n1cc(Br)c(C(=O)N2CCC([N@@H+]3CCOC[C@@H]3C)CC2)n1 ZINC000908316566 664098743 /nfs/dbraw/zinc/09/87/43/664098743.db2.gz REOGZWCCSIDBEZ-ZDUSSCGKSA-N 1 0 399.333 2.552 20 0 GFADRO CN(CCc1cccc(Br)c1)C(=O)c1ccnn1CC[NH+](C)C ZINC000908326428 664099187 /nfs/dbraw/zinc/09/91/87/664099187.db2.gz BDBLQEDIHQJHOV-UHFFFAOYSA-N 1 0 379.302 2.522 20 0 GFADRO CC(C)[NH2+]C1(CO)CCN(C(=O)[C@@H](C)Oc2cccc(Br)c2)CC1 ZINC000908597623 664116367 /nfs/dbraw/zinc/11/63/67/664116367.db2.gz HDISQDGDFADJAL-CQSZACIVSA-N 1 0 399.329 2.568 20 0 GFADRO C[N@@H+]1CCC[C@@](O)(CC(=O)N2CC[C@@H](c3cccc(Br)c3)C2)C1 ZINC000908976380 664139491 /nfs/dbraw/zinc/13/94/91/664139491.db2.gz XQCRQWQKLXQTML-CRAIPNDOSA-N 1 0 381.314 2.612 20 0 GFADRO CN(C(=O)CN1CSCCSC1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000909437929 664158622 /nfs/dbraw/zinc/15/86/22/664158622.db2.gz GPSXXOGHGJPISM-UHFFFAOYSA-N 1 0 385.521 2.559 20 0 GFADRO CC(C)[N@H+](CCO)CC1CCN(C(=O)Cc2ccc(Br)cc2)CC1 ZINC000910850737 664229881 /nfs/dbraw/zinc/22/98/81/664229881.db2.gz ITVANJHPWWUAGP-UHFFFAOYSA-N 1 0 397.357 2.933 20 0 GFADRO CC(C)[N@H+](CCO)CC1CCN(C(=O)Cc2cccc(Br)c2)CC1 ZINC000910860372 664230187 /nfs/dbraw/zinc/23/01/87/664230187.db2.gz DWTAQNZMANHZMS-UHFFFAOYSA-N 1 0 397.357 2.933 20 0 GFADRO [NH3+]C1(CNC(=O)C[C@H]2C(=O)Nc3ccc(Br)cc32)CCCCC1 ZINC000911652566 664251536 /nfs/dbraw/zinc/25/15/36/664251536.db2.gz TUBVCEXMGOUQPM-CYBMUJFWSA-N 1 0 380.286 2.653 20 0 GFADRO [NH3+]CC1CCN(C(=O)c2c(Cl)ccc(I)c2F)CC1 ZINC000911671008 664252114 /nfs/dbraw/zinc/25/21/14/664252114.db2.gz UDOJAUGFAGOBKL-UHFFFAOYSA-N 1 0 396.631 2.895 20 0 GFADRO C[NH2+]CCCNC(=O)c1cnc(-c2cc(Br)ccc2OC)s1 ZINC000911677455 664252470 /nfs/dbraw/zinc/25/24/70/664252470.db2.gz RDBKPJUZWDBHDN-UHFFFAOYSA-N 1 0 384.299 2.921 20 0 GFADRO COc1ccc(Br)cc1-c1nc(C(=O)N2CC[C@H]([NH3+])C2)cs1 ZINC000911731590 664254449 /nfs/dbraw/zinc/25/44/49/664254449.db2.gz VVKITJSJWDJPQC-JTQLQIEISA-N 1 0 382.283 2.754 20 0 GFADRO C[C@H]([NH3+])C1CCN(C(=O)c2ccc(Cn3cc(Br)cn3)s2)CC1 ZINC000911753179 664255499 /nfs/dbraw/zinc/25/54/99/664255499.db2.gz JKNGNMQCQBOMNY-NSHDSACASA-N 1 0 397.342 2.955 20 0 GFADRO C[C@H]([NH3+])C1CCN(C(=O)[C@@H](C)c2ccc(I)cc2)CC1 ZINC000911761160 664255700 /nfs/dbraw/zinc/25/57/00/664255700.db2.gz LNTMZHMHPIXRBM-RYUDHWBXSA-N 1 0 386.277 2.981 20 0 GFADRO O=C(Nc1cccc2c1CC[NH2+]C2)c1cc(Br)cn(C2CC2)c1=O ZINC000911789469 664256729 /nfs/dbraw/zinc/25/67/29/664256729.db2.gz KESRRVRLPATCRV-UHFFFAOYSA-N 1 0 388.265 2.844 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)c2cc(Br)c(Br)[nH]2)C1 ZINC000911820790 664257264 /nfs/dbraw/zinc/25/72/64/664257264.db2.gz HLCBMJLOPGIALW-YUMQZZPRSA-N 1 0 379.096 2.739 20 0 GFADRO C[C@@H]1CCCN(C(=O)c2cc(Br)c(Br)[nH]2)[C@H]1C[NH3+] ZINC000911827979 664257521 /nfs/dbraw/zinc/25/75/21/664257521.db2.gz YNRVNQOYYMSJBD-XCBNKYQSSA-N 1 0 379.096 2.739 20 0 GFADRO CC(C)C[C@@](C)(C[NH3+])NC(=O)C[C@@H]1c2cc(Br)ccc2NC1=O ZINC000911832960 664257777 /nfs/dbraw/zinc/25/77/77/664257777.db2.gz XESYVMIEDXPEGG-DYVFJYSZSA-N 1 0 382.302 2.755 20 0 GFADRO O=C(c1cc(Br)cnc1Br)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000911855496 664259007 /nfs/dbraw/zinc/25/90/07/664259007.db2.gz HIJKRCNIVIAWAF-ZJUUUORDSA-N 1 0 389.091 2.573 20 0 GFADRO CO[C@H](C(=O)N1CCC(OCCC[NH3+])CC1)c1ccc(Br)s1 ZINC000911874638 664260266 /nfs/dbraw/zinc/26/02/66/664260266.db2.gz CLNOGCBVCLIONM-AWEZNQCLSA-N 1 0 391.331 2.555 20 0 GFADRO C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)N(CCO)C1CC[NH+](C)CC1 ZINC000911934290 664262514 /nfs/dbraw/zinc/26/25/14/664262514.db2.gz CJAZVTHGWPOWTP-LBPRGKRZSA-N 1 0 375.296 2.676 20 0 GFADRO [NH3+]CCn1cc(Br)cc(C(=O)N2CCC[C@H]2c2cccs2)c1=O ZINC000912067762 664269227 /nfs/dbraw/zinc/26/92/27/664269227.db2.gz ICFHKJKBPMTROU-ZDUSSCGKSA-N 1 0 396.310 2.608 20 0 GFADRO CCN(C(=O)c1cc(Br)cn(CC[NH3+])c1=O)c1cccc(C)c1 ZINC000912244787 664277470 /nfs/dbraw/zinc/27/74/70/664277470.db2.gz RMTBVSYLDAVBCF-UHFFFAOYSA-N 1 0 378.270 2.545 20 0 GFADRO CC(C)Oc1ccccc1NC(=O)c1cc(Br)cn(CC[NH3+])c1=O ZINC000912325729 664282060 /nfs/dbraw/zinc/28/20/60/664282060.db2.gz JGWOQHNJVUDWFH-UHFFFAOYSA-N 1 0 394.269 2.609 20 0 GFADRO O=C(NC1CC[NH+](C2CCOCC2)CC1)[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000912347332 664282971 /nfs/dbraw/zinc/28/29/71/664282971.db2.gz QFZRIIXZGNDJKO-QGZVFWFLSA-N 1 0 387.307 2.786 20 0 GFADRO OCC[N@@H+]1CCC[C@@H]2[C@@H]1CCN2c1ccc(-c2nnc(Br)o2)cc1 ZINC000912352294 664282990 /nfs/dbraw/zinc/28/29/90/664282990.db2.gz YEDOKMJXZAVDHN-LSDHHAIUSA-N 1 0 393.285 2.535 20 0 GFADRO COc1cc(/C=C\C(=O)N[C@@]2(C)C[NH+]3CCC2CC3)cc(Br)c1O ZINC000912378868 664284229 /nfs/dbraw/zinc/28/42/29/664284229.db2.gz KXRUXDTZRLHTFR-JXCVUKRWSA-N 1 0 395.297 2.777 20 0 GFADRO CC(C)N(Cc1cc(Br)ccc1F)C(=O)C[C@@]1(O)CCC[NH2+]C1 ZINC000912421627 664285824 /nfs/dbraw/zinc/28/58/24/664285824.db2.gz JZBQDFPFCALMND-KRWDZBQOSA-N 1 0 387.293 2.830 20 0 GFADRO CC(C)[C@@H]([NH3+])C(=O)NCCC(=O)N1CCC[C@@H]1c1cccc(Br)c1 ZINC000912465027 664288635 /nfs/dbraw/zinc/28/86/35/664288635.db2.gz YZHAFQVNXSGVMW-NVXWUHKLSA-N 1 0 396.329 2.602 20 0 GFADRO CC(C)C[NH2+]C1(CO)CCN(C(=O)c2ccsc2Br)CC1 ZINC000912586174 664293872 /nfs/dbraw/zinc/29/38/72/664293872.db2.gz OTSWSPLUYJPMNA-UHFFFAOYSA-N 1 0 375.332 2.723 20 0 GFADRO Cc1oc(-c2ccc(Cl)c(Cl)c2)nc1C(=O)N(C)CC[N@H+](C)CCO ZINC000912605026 664294728 /nfs/dbraw/zinc/29/47/28/664294728.db2.gz AWTIJQGABIGXBX-UHFFFAOYSA-N 1 0 386.279 2.953 20 0 GFADRO CC[NH+](CC)CC(=O)N[C@H](c1nccn1C)c1ccc(Br)cc1 ZINC000912678494 664296868 /nfs/dbraw/zinc/29/68/68/664296868.db2.gz JBWHPOAPWJAULD-INIZCTEOSA-N 1 0 379.302 2.730 20 0 GFADRO Cn1ccnc1[C@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)c1ccc(Br)cc1 ZINC000912678663 664297092 /nfs/dbraw/zinc/29/70/92/664297092.db2.gz LULHHWZIXYYKOQ-SUMWQHHRSA-N 1 0 391.313 2.730 20 0 GFADRO CC(C)[N@H+](C)CC(=O)N[C@@H](c1nccn1C)c1ccc(Br)cc1 ZINC000912679242 664297691 /nfs/dbraw/zinc/29/76/91/664297691.db2.gz UHRWNQHCINBUKD-MRXNPFEDSA-N 1 0 379.302 2.728 20 0 GFADRO C[C@H](C[NH+](C)C)[C@H]1CCCCN1C(=O)c1nn2c(c1Br)CCC2 ZINC000912802840 664303061 /nfs/dbraw/zinc/30/30/61/664303061.db2.gz HJRUSNWAFWVOEW-CHWSQXEVSA-N 1 0 383.334 2.784 20 0 GFADRO C[C@H](C[NH+](C)C)[C@@H]1CCCCN1C(=O)Cc1cc[nH]c(=O)c1Br ZINC000912808039 664303355 /nfs/dbraw/zinc/30/33/55/664303355.db2.gz SWCKZPORGZGDDZ-OCCSQVGLSA-N 1 0 384.318 2.671 20 0 GFADRO COC(=O)c1cc(Br)cc(C(=O)N2CCC([NH+]3CCC3)CC2)c1 ZINC000912872170 664306998 /nfs/dbraw/zinc/30/69/98/664306998.db2.gz RACZKNQVGMPZEO-UHFFFAOYSA-N 1 0 381.270 2.546 20 0 GFADRO Cc1nc(C(=O)N2CC[C@H]([NH+]3CCC3)C2)nn1-c1c(Cl)cccc1Cl ZINC000912917585 664310273 /nfs/dbraw/zinc/31/02/73/664310273.db2.gz JLMLIIZJASJHJJ-LBPRGKRZSA-N 1 0 380.279 2.803 20 0 GFADRO CCOc1c(Br)cc(C(=O)N2CC[C@@H]([NH+]3CCC3)C2)cc1OC ZINC000912925648 664310490 /nfs/dbraw/zinc/31/04/90/664310490.db2.gz OOUAWJMIAIHFLO-CYBMUJFWSA-N 1 0 383.286 2.777 20 0 GFADRO C[NH+](C)C[C@H](NC(=O)CC1(O)CCOCC1)c1ccc(Cl)c(Cl)c1 ZINC000913159818 664326887 /nfs/dbraw/zinc/32/68/87/664326887.db2.gz RFJYKLSMQCQLHF-HNNXBMFYSA-N 1 0 375.296 2.644 20 0 GFADRO C[N@@H+]1C[C@@]2(C)CN(C(=O)c3ccc4cncc(Br)c4n3)C[C@@]2(C)C1 ZINC000913269508 664330353 /nfs/dbraw/zinc/33/03/53/664330353.db2.gz CTPMGHJTPGSHBS-HDICACEKSA-N 1 0 389.297 2.806 20 0 GFADRO C[NH+](C)C1(C)CCN(C(=O)c2cc(F)ccc2I)CC1 ZINC000913399018 664334994 /nfs/dbraw/zinc/33/49/94/664334994.db2.gz SKAYIEDJTNRTFJ-UHFFFAOYSA-N 1 0 390.240 2.987 20 0 GFADRO CN(Cc1ccc(Br)cc1F)C(=O)c1ccnn1CC[NH+](C)C ZINC000913426219 664336725 /nfs/dbraw/zinc/33/67/25/664336725.db2.gz NDHSYYZGSRRWND-UHFFFAOYSA-N 1 0 383.265 2.619 20 0 GFADRO Cc1cc(C(=O)NC23CC[NH+](CC2)C3)nn1-c1ccc(Br)cc1 ZINC000913630674 664346846 /nfs/dbraw/zinc/34/68/46/664346846.db2.gz IPAHWBHQVFAFNQ-UHFFFAOYSA-N 1 0 375.270 2.521 20 0 GFADRO C[NH+](C)CC1(O)CCN(C(=O)CCCOc2ccccc2Br)CC1 ZINC000913681350 664349551 /nfs/dbraw/zinc/34/95/51/664349551.db2.gz DCXOCSUQOMFXEN-UHFFFAOYSA-N 1 0 399.329 2.523 20 0 GFADRO C[NH+](C)CC1(O)CCN(C(=O)[C@@H]2C[C@]2(C)c2cccc(Br)c2)CC1 ZINC000913683889 664349854 /nfs/dbraw/zinc/34/98/54/664349854.db2.gz WVSWJQARBDLORX-FUHWJXTLSA-N 1 0 395.341 2.642 20 0 GFADRO Cc1cc(Br)c(CC(=O)N2CC[NH+](CCCCCO)CC2)s1 ZINC000913688027 664349977 /nfs/dbraw/zinc/34/99/77/664349977.db2.gz HXQOFRWUTRNUJS-UHFFFAOYSA-N 1 0 389.359 2.668 20 0 GFADRO C[N@H+](CC(=O)Nc1ccc(N2CC[C@H](CO)C2)c(Br)c1)C1CCC1 ZINC000913688667 664350268 /nfs/dbraw/zinc/35/02/68/664350268.db2.gz HQIJVOXNJAWYNH-ZDUSSCGKSA-N 1 0 396.329 2.691 20 0 GFADRO O=C([C@@H]1C[C@H]1c1cccc(Br)c1)N1CC[NH+](CCCCCO)CC1 ZINC000913695121 664351069 /nfs/dbraw/zinc/35/10/69/664351069.db2.gz RRGNCMGIAYZEFR-ZWKOTPCHSA-N 1 0 395.341 2.859 20 0 GFADRO CC[NH+](CC)CCCNC(=O)N1CCC[C@@H]1c1ncc(Br)cn1 ZINC000913852482 664361615 /nfs/dbraw/zinc/36/16/15/664361615.db2.gz SEEVCBXIDIIVPM-CQSZACIVSA-N 1 0 384.322 2.818 20 0 GFADRO CCc1csc([C@@H]2CCCN(S(=O)(=O)C[C@@]34CC[N@H+](C3)CCC4)C2)n1 ZINC000914110767 664377428 /nfs/dbraw/zinc/37/74/28/664377428.db2.gz OUQALTNBMYBCQM-QAPCUYQASA-N 1 0 383.583 2.701 20 0 GFADRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)S(=O)(=O)Cc1ccc(F)cc1Br ZINC000914178301 664383327 /nfs/dbraw/zinc/38/33/27/664383327.db2.gz IIFMHRLKQHHLFH-NHYWBVRUSA-N 1 0 393.322 2.690 20 0 GFADRO O=S(=O)(c1occc1Br)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000914193741 664384409 /nfs/dbraw/zinc/38/44/09/664384409.db2.gz KZGLLTQIZJKFAR-LBPRGKRZSA-N 1 0 377.304 2.539 20 0 GFADRO CC[N@@H+]1CCC[C@@H](NC(=O)N2CCCC[C@@H]2c2ncc(Br)cn2)C1 ZINC000914315907 664398377 /nfs/dbraw/zinc/39/83/77/664398377.db2.gz CUEKTRBCWDFZKQ-HUUCEWRRSA-N 1 0 396.333 2.960 20 0 GFADRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N(C)Cc1ncc(Br)cn1 ZINC000914356623 664403130 /nfs/dbraw/zinc/40/31/30/664403130.db2.gz LQJKZNOYXPCKQS-MJBXVCDLSA-N 1 0 398.349 2.747 20 0 GFADRO CC(C)[C@H](C[NH+](C)C)NC(=O)/C=C\c1ccc(I)o1 ZINC000915623498 664435882 /nfs/dbraw/zinc/43/58/82/664435882.db2.gz HAJHZDHZDVJFQD-VFFGBVLKSA-N 1 0 376.238 2.600 20 0 GFADRO C[C@H]1CN(S(=O)(=O)c2occc2Br)CC[N@@H+](C2CCC2)C1 ZINC000915842055 664442288 /nfs/dbraw/zinc/44/22/88/664442288.db2.gz FFMPCRBEJBTGDJ-LLVKDONJSA-N 1 0 377.304 2.537 20 0 GFADRO O=C(CCNC(=O)Nc1ccc(Br)cc1)OCC[NH+]1CCCCC1 ZINC000915874484 664443504 /nfs/dbraw/zinc/44/35/04/664443504.db2.gz IKQKYSAZYPACGI-UHFFFAOYSA-N 1 0 398.301 2.990 20 0 GFADRO C[N@@H+]1CCC[C@@H](CCNS(=O)(=O)Cc2ccc(F)cc2Br)C1 ZINC000916266297 664455625 /nfs/dbraw/zinc/45/56/25/664455625.db2.gz YLRIFASOIUQYIQ-LBPRGKRZSA-N 1 0 393.322 2.740 20 0 GFADRO C[NH+](C)C1CCC(NS(=O)(=O)Cc2cccc(F)c2Br)CC1 ZINC000916448012 664461087 /nfs/dbraw/zinc/46/10/87/664461087.db2.gz VPRNQDKSRVUUHY-UHFFFAOYSA-N 1 0 393.322 2.880 20 0 GFADRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCc2cnc(Br)cn2)C1 ZINC000917882545 664491825 /nfs/dbraw/zinc/49/18/25/664491825.db2.gz YJOPVNLUIWZKLL-CYBMUJFWSA-N 1 0 398.349 2.939 20 0 GFADRO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)/C=C/c1ccc(Br)o1 ZINC000918701016 664502914 /nfs/dbraw/zinc/50/29/14/664502914.db2.gz RWDGOFYRNYUQQF-FNORWQNLSA-N 1 0 384.318 2.540 20 0 GFADRO O=C(N[C@H]1CC[N@@H+](C2CC2)C1)N1CCCC[C@H]1c1ncc(Br)cn1 ZINC000918893010 664506036 /nfs/dbraw/zinc/50/60/36/664506036.db2.gz NQJOCCQRBOBJQA-ZFWWWQNUSA-N 1 0 394.317 2.712 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)N1CCC[C@H]1c1cncc(Br)c1 ZINC000918891693 664506094 /nfs/dbraw/zinc/50/60/94/664506094.db2.gz ATQGJXYKIKZXKP-ZBFHGGJFSA-N 1 0 379.302 2.927 20 0 GFADRO Nc1cc[nH+]c2c1CN(S(=O)(=O)c1cc(Cl)ccc1OC(F)F)CC2 ZINC000918905693 664506315 /nfs/dbraw/zinc/50/63/15/664506315.db2.gz HLCXDSUAOYMLCW-UHFFFAOYSA-N 1 0 389.811 2.666 20 0 GFADRO CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NS(=O)(=O)c3sc(C)cc3C)C2)[C@H]1C(C)C ZINC000920303226 664524622 /nfs/dbraw/zinc/52/46/22/664524622.db2.gz MLYBOFJKHADMAI-YFHUEUNASA-N 1 0 386.583 2.513 20 0 GFADRO O=C(NCCc1nc(C(F)(F)F)cs1)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000920936375 664534615 /nfs/dbraw/zinc/53/46/15/664534615.db2.gz HVYCYASEHJRNED-QWRGUYRKSA-N 1 0 394.488 2.583 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)N2CCC[C@H]2c2ncc(Br)cn2)C[N@@H+]1C1CC1 ZINC000921384689 664545187 /nfs/dbraw/zinc/54/51/87/664545187.db2.gz VEWBQOVOEYNZJC-ZLDLUXBVSA-N 1 0 394.317 2.711 20 0 GFADRO CC[C@H](C[NH+]1CCCC1)NC(=O)N1CCC[C@@H]1c1ncc(Br)cn1 ZINC000921437786 664548475 /nfs/dbraw/zinc/54/84/75/664548475.db2.gz GUPKFWJEWTYDNC-HUUCEWRRSA-N 1 0 396.333 2.960 20 0 GFADRO CCn1c(CNCC(C)(C)[NH+](C)C)nc(Br)c1Br ZINC000921476097 664549819 /nfs/dbraw/zinc/54/98/19/664549819.db2.gz TVKGJBUTANCQBN-UHFFFAOYSA-N 1 0 382.144 2.858 20 0 GFADRO C[NH+](C)CC[C@@H](NS(=O)(=O)CC[C@H]1CC1(Cl)Cl)c1cccnc1 ZINC000921479499 664550025 /nfs/dbraw/zinc/55/00/25/664550025.db2.gz KZMQBTDGPPSCMU-UONOGXRCSA-N 1 0 380.341 2.578 20 0 GFADRO CCS(=O)(=O)N1CCC([NH2+]Cc2cccc(C)c2Br)CC1 ZINC000921521669 664551781 /nfs/dbraw/zinc/55/17/81/664551781.db2.gz NLRHFOYELMNLPM-UHFFFAOYSA-N 1 0 375.332 2.661 20 0 GFADRO Cc1cc(C[NH2+]C2(CCO)CCOCC2)c(C)cc1I ZINC000921848784 664572062 /nfs/dbraw/zinc/57/20/62/664572062.db2.gz NKTWLQDZAFUOMM-UHFFFAOYSA-N 1 0 389.277 2.929 20 0 GFADRO CCn1c(C[NH2+]CC2(CO)CCC2)nc(Br)c1Br ZINC000921992362 664580627 /nfs/dbraw/zinc/58/06/27/664580627.db2.gz ZLNNRUAQEKFGAE-UHFFFAOYSA-N 1 0 381.112 2.680 20 0 GFADRO Brc1cccc(N2CC[C@@H]([NH2+]Cc3cnc4n3CCOC4)C2)c1 ZINC000922066561 664583868 /nfs/dbraw/zinc/58/38/68/664583868.db2.gz KJSPQGFRZMBWJK-CQSZACIVSA-N 1 0 377.286 2.544 20 0 GFADRO CS(=O)(=O)C1(C[NH2+]Cc2cc3c(cc(F)cc3Br)[nH]2)CC1 ZINC000922076303 664584390 /nfs/dbraw/zinc/58/43/90/664584390.db2.gz PHLWLCVNTVNHGZ-UHFFFAOYSA-N 1 0 375.263 2.736 20 0 GFADRO CCn1c(C[NH2+]CCC2(O)CCC2)nc(Br)c1Br ZINC000922113395 664586398 /nfs/dbraw/zinc/58/63/98/664586398.db2.gz LRSVRRSEIIKHBY-UHFFFAOYSA-N 1 0 381.112 2.823 20 0 GFADRO CCn1c(C[NH2+]CC[C@H](COC)OC)nc(Br)c1Br ZINC000922236610 664591132 /nfs/dbraw/zinc/59/11/32/664591132.db2.gz QYZPGHJETSPRGA-SECBINFHSA-N 1 0 399.127 2.569 20 0 GFADRO COC(=O)COc1ccccc1CNCc1cc(Br)cnc1OC ZINC000922283662 664592993 /nfs/dbraw/zinc/59/29/93/664592993.db2.gz GDHFAJLUIXLNSZ-UHFFFAOYSA-N 1 0 395.253 2.694 20 0 GFADRO Cc1cc(C[NH2+][C@@H]2CCS(=O)(=O)[C@@H]2C)c(C)cc1I ZINC000922297207 664593923 /nfs/dbraw/zinc/59/39/23/664593923.db2.gz KFOWIKFMKCNPHF-BXUZGUMPSA-N 1 0 393.290 2.573 20 0 GFADRO CS(=O)(=O)[C@H]1C[C@H]([NH2+]Cc2cc3c(cc(F)cc3Br)[nH]2)C1 ZINC000922336204 664595330 /nfs/dbraw/zinc/59/53/30/664595330.db2.gz SQSKUYKONAHMHL-HOMQSWHASA-N 1 0 375.263 2.735 20 0 GFADRO CS(=O)(=O)C1CCC(C[NH2+]Cc2cnn(-c3ccc(Cl)cc3)n2)CC1 ZINC000922420169 664600702 /nfs/dbraw/zinc/60/07/02/664600702.db2.gz WGTQUTXMHZEZJG-UHFFFAOYSA-N 1 0 382.917 2.614 20 0 GFADRO CC[C@@H](C)[NH2+][C@H](CNC(=O)NCc1cn(C)nc1Br)c1ccco1 ZINC000922423653 664600906 /nfs/dbraw/zinc/60/09/06/664600906.db2.gz HFKZMVFIFCICQZ-DGCLKSJQSA-N 1 0 398.305 2.704 20 0 GFADRO Brc1ccc(C[NH2+][C@@H]2CCO[C@H]2C2CC2)c(N2CCOCC2)c1 ZINC000922518028 664605354 /nfs/dbraw/zinc/60/53/54/664605354.db2.gz TWPZQBYISCNDLY-AEFFLSMTSA-N 1 0 381.314 2.943 20 0 GFADRO CSC1(CNC(=O)NCC[C@@H]2CC[C@H](C(F)(F)F)O2)CC[NH+](C)CC1 ZINC000922529795 664605755 /nfs/dbraw/zinc/60/57/55/664605755.db2.gz KVGJPRBOLGOUJX-QWHCGFSZSA-N 1 0 383.480 2.613 20 0 GFADRO CCn1c(Br)c(Br)nc1CN[C@@H]1CC[N@H+](C)[C@H]1C ZINC000922557133 664606820 /nfs/dbraw/zinc/60/68/20/664606820.db2.gz ZNWPPGZQCVCCNG-DTWKUNHWSA-N 1 0 380.128 2.610 20 0 GFADRO OC1(C2(C[NH2+]Cc3ccccc3I)CC2)CCOCC1 ZINC000922597305 664607975 /nfs/dbraw/zinc/60/79/75/664607975.db2.gz NOATWGYHBIPDGJ-UHFFFAOYSA-N 1 0 387.261 2.703 20 0 GFADRO Cc1ccnc(C[NH2+]CCc2ccccc2S(C)(=O)=O)c1Br ZINC000922682660 664610651 /nfs/dbraw/zinc/61/06/51/664610651.db2.gz ICGIRBRTVUZBNS-UHFFFAOYSA-N 1 0 383.311 2.888 20 0 GFADRO CCS(=O)(=O)c1ccccc1CC[NH2+]C1CCN(c2nccs2)CC1 ZINC000922685939 664610742 /nfs/dbraw/zinc/61/07/42/664610742.db2.gz BRVAUAMJJMBIQV-UHFFFAOYSA-N 1 0 379.551 2.738 20 0 GFADRO Cn1cc(Br)c(CNC(=O)NC2CCC(C)([NH+]3CCCC3)CC2)n1 ZINC000922709598 664611477 /nfs/dbraw/zinc/61/14/77/664611477.db2.gz CHDDUKYRZLQPGR-UHFFFAOYSA-N 1 0 398.349 2.779 20 0 GFADRO Cc1nn(-c2ccccc2Br)cc1C[NH2+]C[C@H]1C[C@@H]2COC[C@@H]2O1 ZINC000922726097 664612169 /nfs/dbraw/zinc/61/21/69/664612169.db2.gz QEINLFGZSMKVKX-SIIHOXLZSA-N 1 0 392.297 2.837 20 0 GFADRO O=C1C[C@@H](CC[NH2+]Cc2cc(Cl)ccc2I)CN1 ZINC000922778780 664614263 /nfs/dbraw/zinc/61/42/63/664614263.db2.gz JHSGDDVWGLETTP-SECBINFHSA-N 1 0 378.641 2.560 20 0 GFADRO C[N@H+](CCCCNC(=O)NC1(c2ncc(Br)cn2)CCC1)C1CC1 ZINC000922812497 664615295 /nfs/dbraw/zinc/61/52/95/664615295.db2.gz UTLUCTNPTGBYHU-UHFFFAOYSA-N 1 0 396.333 2.792 20 0 GFADRO CS(=O)(=O)C[C@@H](O)C[NH2+]Cc1cc(F)ccc1Oc1cccc(Cl)c1 ZINC000922826237 664615687 /nfs/dbraw/zinc/61/56/87/664615687.db2.gz WUVAKVMHZORSGC-HNNXBMFYSA-N 1 0 387.860 2.767 20 0 GFADRO Nc1c(Br)cc(Br)cc1C[NH2+]CCO[C@H]1CCOC1 ZINC000922936048 664619365 /nfs/dbraw/zinc/61/93/65/664619365.db2.gz XFSXAPLXJJNCPT-NSHDSACASA-N 1 0 394.107 2.689 20 0 GFADRO COC(=O)c1cc(Br)cc(C(=O)N2[C@@H]3CC[C@H]2C[N@H+](C)CC3)c1 ZINC000923265852 664626917 /nfs/dbraw/zinc/62/69/17/664626917.db2.gz DARXONQYGAHBGM-CABCVRRESA-N 1 0 381.270 2.544 20 0 GFADRO C[NH2+]CC1CCN(Cc2cc(OC)c(C(=O)OC)cc2Br)CC1 ZINC000923290057 664627599 /nfs/dbraw/zinc/62/75/99/664627599.db2.gz LTKYNWWTXQYUKZ-UHFFFAOYSA-N 1 0 385.302 2.676 20 0 GFADRO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(-n2cc(Br)cn2)cc1 ZINC000923303691 664627874 /nfs/dbraw/zinc/62/78/74/664627874.db2.gz IHZVUUUMMQXWNM-DLBZAZTESA-N 1 0 389.297 2.944 20 0 GFADRO O[C@H](COc1c(Cl)cccc1Cl)CN1CC[NH2+]C[C@H]1c1cccnc1 ZINC000923347988 664628820 /nfs/dbraw/zinc/62/88/20/664628820.db2.gz AQSGFMPGHIBCET-YOEHRIQHSA-N 1 0 382.291 2.775 20 0 GFADRO O[C@H](COc1ccc(Cl)cc1Br)CN1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000923358611 664628930 /nfs/dbraw/zinc/62/89/30/664628930.db2.gz IVYNGEDLOKTYNW-CORIIIEPSA-N 1 0 389.721 2.526 20 0 GFADRO CN(Cc1ncc(Br)cn1)C(=O)NC[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000923401243 664629858 /nfs/dbraw/zinc/62/98/58/664629858.db2.gz SMEQIHYHPXDYOL-HNNXBMFYSA-N 1 0 396.333 2.788 20 0 GFADRO O=C(NCc1ccsc1C(F)(F)F)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000923503412 664631443 /nfs/dbraw/zinc/63/14/43/664631443.db2.gz KVXQPEHBRVDSIB-ZDUSSCGKSA-N 1 0 377.432 2.819 20 0 GFADRO [NH3+][C@H]1CCO[C@@H](C2CCN(S(=O)(=O)c3cscc3C(F)F)CC2)C1 ZINC000923645325 664634982 /nfs/dbraw/zinc/63/49/82/664634982.db2.gz FWVSUYODJZFEOW-WCQYABFASA-N 1 0 380.482 2.593 20 0 GFADRO C[C@H]1CN(S(=O)(=O)c2cc(Br)ccc2Cl)CC[C@H]1C[NH3+] ZINC000923701792 664636495 /nfs/dbraw/zinc/63/64/95/664636495.db2.gz XJCPHQTUXWIJBJ-UWVGGRQHSA-N 1 0 381.723 2.708 20 0 GFADRO C[C@@H]1CN(S(=O)(=O)Cc2cccc(Cl)c2Br)CC[C@@H]1C[NH3+] ZINC000923704219 664636577 /nfs/dbraw/zinc/63/65/77/664636577.db2.gz UARXMLULULTFRY-GHMZBOCLSA-N 1 0 395.750 2.849 20 0 GFADRO C[C@H]1CN(S(=O)(=O)c2cc(Cl)ccc2Br)CC[C@@H]1C[NH3+] ZINC000923704369 664636579 /nfs/dbraw/zinc/63/65/79/664636579.db2.gz RZOSRMIZWMUMEV-VHSXEESVSA-N 1 0 381.723 2.708 20 0 GFADRO COc1ccc(S(=O)(=O)N[C@H]2C[C@@](C[NH3+])(c3ccccc3)C2)cc1Cl ZINC000923740265 664637391 /nfs/dbraw/zinc/63/73/91/664637391.db2.gz HPKOCCZWIHXPPL-UJKQEGAGSA-N 1 0 380.897 2.686 20 0 GFADRO Brc1ccn2cc(-c3noc([C@H]4C[N@@H+]5CCC[C@@H]5CO4)n3)nc2c1 ZINC000924073518 664646122 /nfs/dbraw/zinc/64/61/22/664646122.db2.gz GMMQMTIWZXJMOR-DGCLKSJQSA-N 1 0 390.241 2.683 20 0 GFADRO Cc1nc(-c2ccc(CC[NH2+][C@@H]3C(=O)NCC34CCOCC4)s2)cs1 ZINC000924585974 664658565 /nfs/dbraw/zinc/65/85/65/664658565.db2.gz AWVAXBSIWBVWRU-MRXNPFEDSA-N 1 0 377.535 2.607 20 0 GFADRO C[C@@H]([NH2+]Cc1ccc(Br)s1)C1CCN(S(C)(=O)=O)CC1 ZINC000924801370 664662208 /nfs/dbraw/zinc/66/22/08/664662208.db2.gz CMMAGPWVXKCFIT-SNVBAGLBSA-N 1 0 381.361 2.660 20 0 GFADRO CC(=O)N1CCN(c2ccccc2C[NH2+][C@H](C)C2(Br)CC2)CC1 ZINC000924902075 664663870 /nfs/dbraw/zinc/66/38/70/664663870.db2.gz WCRZSAPYLBNZAN-CQSZACIVSA-N 1 0 380.330 2.761 20 0 GFADRO CSC[C@H]1NC(=O)N([C@@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)C1=O ZINC000925022265 664665395 /nfs/dbraw/zinc/66/53/95/664665395.db2.gz FJVHGVIGNQQCEY-OLZOCXBDSA-N 1 0 376.309 2.880 20 0 GFADRO COC1(OC)CC[C@@H]1[NH2+]CCC(=O)N(C)Cc1ccccc1Br ZINC000925028779 664665517 /nfs/dbraw/zinc/66/55/17/664665517.db2.gz PZXOPDRAEBLNDZ-HNNXBMFYSA-N 1 0 385.302 2.539 20 0 GFADRO O=C(N[C@@H]1CCC[N@@H+]2CCSC[C@H]12)N1CCSC[C@@H]1c1nccs1 ZINC000925154813 664667439 /nfs/dbraw/zinc/66/74/39/664667439.db2.gz CFZXSGHGQOPDDB-MGPQQGTHSA-N 1 0 384.596 2.522 20 0 GFADRO CN(Cc1nc2c(s1)CCCC2)C(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000925152195 664667511 /nfs/dbraw/zinc/66/75/11/664667511.db2.gz GQJVUPBBSNABKF-UKRRQHHQSA-N 1 0 380.583 2.743 20 0 GFADRO CC(C)S(=O)(=O)N1CCC([NH2+][C@H](C)c2cccc(Br)n2)CC1 ZINC000925180251 664668214 /nfs/dbraw/zinc/66/82/14/664668214.db2.gz HQJRODUDGDQHQG-GFCCVEGCSA-N 1 0 390.347 2.697 20 0 GFADRO C[C@@H]([NH2+]C[C@H](O)c1cc2ccccc2s1)C1CCN(S(C)(=O)=O)CC1 ZINC000925265195 664669426 /nfs/dbraw/zinc/66/94/26/664669426.db2.gz QLZMZFGVBRGIIS-CJNGLKHVSA-N 1 0 382.551 2.584 20 0 GFADRO C[C@H]([NH2+]C[C@@H](O)c1cc2ccccc2s1)C1CCN(S(C)(=O)=O)CC1 ZINC000925265198 664669658 /nfs/dbraw/zinc/66/96/58/664669658.db2.gz QLZMZFGVBRGIIS-XJKSGUPXSA-N 1 0 382.551 2.584 20 0 GFADRO CN1CCO[C@H](C[NH2+][C@@H](c2ccc(Br)cc2)c2cccnc2)C1 ZINC000925355184 664670861 /nfs/dbraw/zinc/67/08/61/664670861.db2.gz UOWJGMXYAUBUNF-MSOLQXFVSA-N 1 0 376.298 2.854 20 0 GFADRO O=S1(=O)CCCN1CCC[NH2+][C@@H](c1ccc(Cl)cc1)c1ccccn1 ZINC000925358706 664670941 /nfs/dbraw/zinc/67/09/41/664670941.db2.gz FZPIEPYQRBAGMQ-SFHVURJKSA-N 1 0 379.913 2.840 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CC[NH2+][C@@H](C)C[C@H]1CCC(=O)N1 ZINC000925405641 664672098 /nfs/dbraw/zinc/67/20/98/664672098.db2.gz PTTGWGFRTWRVBD-GXTWGEPZSA-N 1 0 382.302 2.733 20 0 GFADRO C[C@@H]([NH2+]C[C@@H](O)c1c(Cl)cccc1Cl)C1CCN(S(C)(=O)=O)CC1 ZINC000925461307 664672573 /nfs/dbraw/zinc/67/25/73/664672573.db2.gz ICWOSXISVRQLBC-IAQYHMDHSA-N 1 0 395.352 2.677 20 0 GFADRO C[C@@H]([NH2+][C@H]1CCN(c2ccc(Cl)cc2)C1)C1CCN(S(C)(=O)=O)CC1 ZINC000925703545 664674054 /nfs/dbraw/zinc/67/40/54/664674054.db2.gz HCYPKHLHSZGSEV-PBHICJAKSA-N 1 0 385.961 2.568 20 0 GFADRO C[C@H]([NH2+]CC[C@@H]1CNCCS1(=O)=O)c1ccc(-c2ccccc2F)s1 ZINC000925795638 664674834 /nfs/dbraw/zinc/67/48/34/664674834.db2.gz IYINXVTUKQUEKX-UONOGXRCSA-N 1 0 382.526 2.982 20 0 GFADRO C[NH+](C)CC[C@H](NC(=O)N1CCS[C@H](C(F)(F)F)C1)c1cccnc1 ZINC000925921500 664677399 /nfs/dbraw/zinc/67/73/99/664677399.db2.gz SYEVKTXJNZIIJH-KBPBESRZSA-N 1 0 376.448 2.764 20 0 GFADRO [NH3+][C@@]1(CO)CCCN(C(=O)Nc2ncc(Cc3ccccc3Cl)s2)C1 ZINC000925914579 664677489 /nfs/dbraw/zinc/67/74/89/664677489.db2.gz AHKRBLBFKXVLSG-KRWDZBQOSA-N 1 0 380.901 2.705 20 0 GFADRO Cc1ccc(NC(=O)NC[C@@H]2CC3(CC[NH2+]CC3)C(=O)O2)cc1Br ZINC000925932388 664677701 /nfs/dbraw/zinc/67/77/01/664677701.db2.gz KKBIWJCZKHUICL-ZDUSSCGKSA-N 1 0 396.285 2.564 20 0 GFADRO Brc1cnc2c(c1)[C@@H]([NH2+]C[C@@H]1COC3(CCOCC3)O1)CCC2 ZINC000925978375 664678654 /nfs/dbraw/zinc/67/86/54/664678654.db2.gz XLTPFWMRXWXOAU-CJNGLKHVSA-N 1 0 383.286 2.733 20 0 GFADRO COC(=O)c1cc(NC(=O)NCC[C@@H]2C[NH2+]C[C@H]2C)ccc1Br ZINC000926083042 664681286 /nfs/dbraw/zinc/68/12/86/664681286.db2.gz ABGGWTOEDYWXBT-GHMZBOCLSA-N 1 0 384.274 2.603 20 0 GFADRO [NH3+][C@@H]1CC[C@H](CNC(=O)Nc2ccnn2Cc2cccc(Br)c2)C1 ZINC000926099291 664681683 /nfs/dbraw/zinc/68/16/83/664681683.db2.gz WCCZRAQHBWTMLB-SWLSCSKDSA-N 1 0 392.301 2.943 20 0 GFADRO COc1cc(OC)c(NC(=O)NCC[C@@H]2C[NH2+]C[C@H]2C)cc1Br ZINC000926101922 664681686 /nfs/dbraw/zinc/68/16/86/664681686.db2.gz XSQDEUZFYGLALM-GHMZBOCLSA-N 1 0 386.290 2.833 20 0 GFADRO COC(=O)c1c(Br)ccc(NC(=O)NCC[C@@H]2C[NH2+]C[C@H]2C)c1C ZINC000926104406 664681825 /nfs/dbraw/zinc/68/18/25/664681825.db2.gz JPEDWTPQWKCFMU-ZYHUDNBSSA-N 1 0 398.301 2.911 20 0 GFADRO Cc1csc([C@H](NC(=O)N2CC[C@H](C(F)(F)F)[C@H]([NH3+])C2)C(F)(F)F)n1 ZINC000926130206 664682347 /nfs/dbraw/zinc/68/23/47/664682347.db2.gz MASQQCLQJGLJIA-YIZRAAEISA-N 1 0 390.353 2.976 20 0 GFADRO Cc1csc([C@H](NC(=O)N2CC[C@@H](C(F)(F)F)[C@H]([NH3+])C2)C(F)(F)F)n1 ZINC000926130204 664682362 /nfs/dbraw/zinc/68/23/62/664682362.db2.gz MASQQCLQJGLJIA-HLTSFMKQSA-N 1 0 390.353 2.976 20 0 GFADRO Cc1cc(Br)cn2cc(CC[NH2+][C@H]3CCOC34CCOCC4)nc12 ZINC000926154481 664683266 /nfs/dbraw/zinc/68/32/66/664683266.db2.gz HDSNLMGGZDCMPN-INIZCTEOSA-N 1 0 394.313 2.875 20 0 GFADRO CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)c1csc(Br)c1)C2 ZINC000926182591 664684160 /nfs/dbraw/zinc/68/41/60/664684160.db2.gz ICDKWBCGAYBQCL-NCZKRNLISA-N 1 0 387.343 2.720 20 0 GFADRO CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)c1cc(F)ccc1Br)C2 ZINC000926189036 664684530 /nfs/dbraw/zinc/68/45/30/664684530.db2.gz JXGTXRKBYXJIIN-KONPQCLYSA-N 1 0 399.304 2.798 20 0 GFADRO CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NC(=O)c3c(Cl)cncc3Cl)C2)[C@@H]1C(C)C ZINC000926241054 664685151 /nfs/dbraw/zinc/68/51/51/664685151.db2.gz LODKPGSOOKVYGR-AHEZYBDSSA-N 1 0 386.323 2.988 20 0 GFADRO CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NC(=O)c3coc(Br)c3)C2)[C@H]1C(C)C ZINC000926258002 664685771 /nfs/dbraw/zinc/68/57/71/664685771.db2.gz CXTAHKHIXRTDES-GKLJAUDBSA-N 1 0 385.302 2.642 20 0 GFADRO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NC(=O)c3oc(Br)cc3C)C2)[C@H]1C(C)C ZINC000926256185 664685804 /nfs/dbraw/zinc/68/58/04/664685804.db2.gz QUQQOLLICDVQBH-FAELENHSSA-N 1 0 399.329 2.950 20 0 GFADRO C[C@H](C[C@@H]1CCC(=O)N1)[NH2+]Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000926297377 664687121 /nfs/dbraw/zinc/68/71/21/664687121.db2.gz AQRKQQLDHAHRDL-DOMZBBRYSA-N 1 0 377.286 2.782 20 0 GFADRO CCON1CCC([NH2+][C@H]2CCN(c3cccc(Br)c3)C2=O)CC1 ZINC000926301885 664687431 /nfs/dbraw/zinc/68/74/31/664687431.db2.gz GUSQBBBKCSNZCY-INIZCTEOSA-N 1 0 382.302 2.560 20 0 GFADRO C[C@@H]([NH2+][C@@H](C)C1CCN(S(C)(=O)=O)CC1)c1nc(C(F)(F)F)cs1 ZINC000926310769 664687646 /nfs/dbraw/zinc/68/76/46/664687646.db2.gz RNLMODUYZMGTKJ-VHSXEESVSA-N 1 0 385.477 2.873 20 0 GFADRO O=S(=O)(NCCC[NH2+][C@H](C1CC1)[C@@H]1CCCOC1)c1ccccc1Cl ZINC000926353698 664688412 /nfs/dbraw/zinc/68/84/12/664688412.db2.gz LQYOMOFDDUCERW-CRAIPNDOSA-N 1 0 386.945 2.803 20 0 GFADRO C[C@H]([NH2+]CCn1cc(Br)ccc1=O)c1ccnn1CC1CCC1 ZINC000926502519 664690803 /nfs/dbraw/zinc/69/08/03/664690803.db2.gz PGMXRNARDPOAOT-ZDUSSCGKSA-N 1 0 379.302 2.958 20 0 GFADRO COc1cc([C@@H](C)[NH2+]C[C@@H](CO)Cc2ccc(OC)c(Br)c2)on1 ZINC000926536918 664691771 /nfs/dbraw/zinc/69/17/71/664691771.db2.gz CKAWEVMSUPEJRV-YPMHNXCESA-N 1 0 399.285 2.956 20 0 GFADRO C[C@@H]([NH2+]C[C@@H](CO)Cc1ccc(F)c(Br)c1)c1cc(CO)on1 ZINC000926545496 664692335 /nfs/dbraw/zinc/69/23/35/664692335.db2.gz WJWZHFSGUPZZDE-PWSUYJOCSA-N 1 0 387.249 2.570 20 0 GFADRO C[C@H]([NH2+]CCC[C@H]1CC1(Cl)Cl)c1ccc(S(=O)(=O)CC(N)=O)cc1 ZINC000926655993 664694757 /nfs/dbraw/zinc/69/47/57/664694757.db2.gz DUGXVMSIMWLKOZ-AAEUAGOBSA-N 1 0 393.336 2.570 20 0 GFADRO C[C@@H]([NH2+]CC1(NC(=O)OC(C)(C)C)CCOCC1)C1(Br)CC1 ZINC000926754120 664696307 /nfs/dbraw/zinc/69/63/07/664696307.db2.gz LYWROYWDDFTJRY-GFCCVEGCSA-N 1 0 377.323 2.966 20 0 GFADRO C[C@H]([NH2+][C@H](CCO)c1ccc(Cl)c(F)c1)C1CCN(S(C)(=O)=O)CC1 ZINC000926779711 664696490 /nfs/dbraw/zinc/69/64/90/664696490.db2.gz ILQFWWXMNYJNEH-YVEFUNNKSA-N 1 0 392.924 2.552 20 0 GFADRO CCO[C@@H](CNC(=O)N(C)Cc1ccc(F)cc1Br)C[NH+](C)C ZINC000926841302 664697685 /nfs/dbraw/zinc/69/76/85/664697685.db2.gz IQGDGPCSSLJSJE-AWEZNQCLSA-N 1 0 390.297 2.696 20 0 GFADRO CCO[C@H](CNC(=O)N1CCC[C@@H]1c1ccc(Br)cn1)C[NH+](C)C ZINC000926846815 664697729 /nfs/dbraw/zinc/69/77/29/664697729.db2.gz TYJTUGJAKZIEIY-GDBMZVCRSA-N 1 0 399.333 2.657 20 0 GFADRO CCO[C@H](CNC(=O)N(C)Cc1cscc1Br)C[NH+](C)C ZINC000926852040 664697753 /nfs/dbraw/zinc/69/77/53/664697753.db2.gz WYXSMEXPQPNYIL-GFCCVEGCSA-N 1 0 378.336 2.619 20 0 GFADRO Cc1cc(CC[NH2+][C@H]2CCS(=O)(=O)c3ccc(Br)cc32)nn1C ZINC000926908656 664698883 /nfs/dbraw/zinc/69/88/83/664698883.db2.gz BASOQAPFZHRFGA-HNNXBMFYSA-N 1 0 398.326 2.542 20 0 GFADRO CNS(=O)(=O)c1cccc([C@H](C)[NH2+]C[C@H]2CCC[C@H](C(F)(F)F)O2)c1 ZINC000926918324 664699027 /nfs/dbraw/zinc/69/90/27/664699027.db2.gz ZTBYGLFVAYACQD-NJZAAPMLSA-N 1 0 380.432 2.745 20 0 GFADRO CC(C)(C[NH2+][C@@H]1CCCc2ncc(Br)cc21)CS(C)(=O)=O ZINC000926949217 664699360 /nfs/dbraw/zinc/69/93/60/664699360.db2.gz JEVSVMBEHIWBRB-CQSZACIVSA-N 1 0 375.332 2.882 20 0 GFADRO C[C@@H](C(=O)N(C)Cc1ncc(Br)cn1)[N@H+](C)Cc1ccccc1 ZINC000926981929 664701171 /nfs/dbraw/zinc/70/11/71/664701171.db2.gz YHYXDQFTKHATAX-ZDUSSCGKSA-N 1 0 377.286 2.718 20 0 GFADRO C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)S2(=O)=O)c1nc(Br)ccc1F ZINC000927037078 664702855 /nfs/dbraw/zinc/70/28/55/664702855.db2.gz BJDBVLHILCEGDW-OFLUOSHYSA-N 1 0 377.279 2.742 20 0 GFADRO Cn1nnc2c1C[C@@H]([NH2+][C@H]1CCCOc3ccc(Br)cc31)CC2 ZINC000927143055 664705162 /nfs/dbraw/zinc/70/51/62/664705162.db2.gz BEZQQPBCVYWAAE-JSGCOSHPSA-N 1 0 377.286 2.938 20 0 GFADRO O[C@@H]1C[C@H]([NH2+][C@@H]2CCc3ccc(I)cc32)C12CCOCC2 ZINC000927151722 664705284 /nfs/dbraw/zinc/70/52/84/664705284.db2.gz CERJPRUHMFLAIJ-OWCLPIDISA-N 1 0 399.272 2.798 20 0 GFADRO C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)Nc1cc(Cl)ccc1SCC(F)(F)F ZINC000927811285 664716169 /nfs/dbraw/zinc/71/61/69/664716169.db2.gz SURIWZSZCDXQSV-LDYMZIIASA-N 1 0 395.834 2.657 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)C(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)CCS1 ZINC000927872594 664716967 /nfs/dbraw/zinc/71/69/67/664716967.db2.gz MNUVZJIJMSKRLB-BXKDBHETSA-N 1 0 375.416 2.503 20 0 GFADRO Cc1sc(CC(=O)N[C@H]2CCC[N@@H+]3CCSC[C@H]23)nc1-c1ccco1 ZINC000928082971 664722023 /nfs/dbraw/zinc/72/20/23/664722023.db2.gz YFRPUZZLEHPRTK-UONOGXRCSA-N 1 0 377.535 2.950 20 0 GFADRO COc1ccc(Br)cc1C(=O)CCC(=O)N[C@H]1CC[N@H+](C)[C@H]1C ZINC000928458324 664732750 /nfs/dbraw/zinc/73/27/50/664732750.db2.gz WTHCRCCNDUXGQQ-FZMZJTMJSA-N 1 0 383.286 2.629 20 0 GFADRO Cc1c(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2C)cnn1-c1ccc(Br)cc1 ZINC000928453914 664732784 /nfs/dbraw/zinc/73/27/84/664732784.db2.gz PFGYFSDATDBAAC-MLGOLLRUSA-N 1 0 377.286 2.766 20 0 GFADRO C[NH+]1CCC2(CCN2C(=O)Nc2ccc(I)cc2)CC1 ZINC000929157212 664747385 /nfs/dbraw/zinc/74/73/85/664747385.db2.gz BEKQTDHNECBGPG-UHFFFAOYSA-N 1 0 385.249 2.993 20 0 GFADRO C[N@H+](CCCCOc1ccc(Br)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000929204077 664748367 /nfs/dbraw/zinc/74/83/67/664748367.db2.gz NQSRUSIKWLOVTD-CQSZACIVSA-N 1 0 376.316 2.727 20 0 GFADRO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)C1(n2cc(Br)cn2)CC1 ZINC000929342674 664750749 /nfs/dbraw/zinc/75/07/49/664750749.db2.gz HAFNQFPRMVVLBS-AWEZNQCLSA-N 1 0 393.285 2.681 20 0 GFADRO C[N@H+](CCCOc1ccc(S(C)(=O)=O)cc1)CCOC1CCSCC1 ZINC000929348463 664750859 /nfs/dbraw/zinc/75/08/59/664750859.db2.gz RRMZBMRASRYYLY-UHFFFAOYSA-N 1 0 387.567 2.703 20 0 GFADRO CCC[NH+]1CCC(NC(=O)c2cc3cc(Br)cnc3n2C)CC1 ZINC000929407202 664751821 /nfs/dbraw/zinc/75/18/21/664751821.db2.gz BIHOOIGYOPIDJK-UHFFFAOYSA-N 1 0 379.302 2.940 20 0 GFADRO C[N@H+](C[C@@H]1CCS(=O)(=O)C1)C[C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F ZINC000929699292 664756196 /nfs/dbraw/zinc/75/61/96/664756196.db2.gz KIOQNLZJEWHUAY-DUVNUKRYSA-N 1 0 377.428 2.535 20 0 GFADRO Cc1[nH]nc(Br)c1C(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000930074742 664762130 /nfs/dbraw/zinc/76/21/30/664762130.db2.gz GHSPNLSLNLPMKJ-UHFFFAOYSA-N 1 0 377.286 2.659 20 0 GFADRO CC1(c2cccc(Br)c2)CC[NH+](C[C@H](O)C[C@]2(O)CCOC2)CC1 ZINC000930160602 664763576 /nfs/dbraw/zinc/76/35/76/664763576.db2.gz SGZWRCMSUSXWAE-IEBWSBKVSA-N 1 0 398.341 2.705 20 0 GFADRO C[C@H]([NH2+]C[C@@H]1C[C@H]2COC[C@H]2O1)c1cc2c(cc1Br)OCCO2 ZINC000930208314 664764586 /nfs/dbraw/zinc/76/45/86/664764586.db2.gz MVVRMKXGWXLNCU-GUUCOKDPSA-N 1 0 384.270 2.675 20 0 GFADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)Nc3cc(F)ccc3Br)CC2)C1 ZINC000930349914 664767688 /nfs/dbraw/zinc/76/76/88/664767688.db2.gz CZPBARHGSLWSQI-AWEZNQCLSA-N 1 0 399.308 2.832 20 0 GFADRO COC(=O)c1ccc(Br)c(C[N@@H+]2CCC[C@@H](CCNC(C)=O)C2)c1 ZINC000930493600 664771833 /nfs/dbraw/zinc/77/18/33/664771833.db2.gz OUGVHOXFXIPJCU-AWEZNQCLSA-N 1 0 397.313 2.974 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)c1cc2ccc(Br)cc2c(=O)o1 ZINC000930673343 664775686 /nfs/dbraw/zinc/77/56/86/664775686.db2.gz GNLBRVTWNVJILC-GFCCVEGCSA-N 1 0 377.238 2.522 20 0 GFADRO CC[NH+](CC)[C@@H](CNC(=O)c1cc(=O)[nH]cc1Br)c1ccco1 ZINC000930915671 664780979 /nfs/dbraw/zinc/78/09/79/664780979.db2.gz KNKZLTUBOXTMRT-ZDUSSCGKSA-N 1 0 382.258 2.956 20 0 GFADRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)[C@](C)(O)c2ccc(F)c(Br)c2)C1 ZINC000930945918 664781676 /nfs/dbraw/zinc/78/16/76/664781676.db2.gz ROWLHUBDUUHDPU-YVEFUNNKSA-N 1 0 387.293 2.642 20 0 GFADRO CC[N@H+](CC1CN(S(C)(=O)=O)C1)[C@@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000931066722 664784449 /nfs/dbraw/zinc/78/44/49/664784449.db2.gz LPJZGRBFYSJQFA-ZDUSSCGKSA-N 1 0 378.460 2.850 20 0 GFADRO O[C@H](C[N@@H+]1CCc2nc[nH]c2C12CCOCC2)c1ccc(Br)cc1 ZINC000931105856 664786072 /nfs/dbraw/zinc/78/60/72/664786072.db2.gz ZXNGMUCVAVZECD-MRXNPFEDSA-N 1 0 392.297 2.770 20 0 GFADRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)Nc1ccc2nccnc2c1Br ZINC000931390655 664793556 /nfs/dbraw/zinc/79/35/56/664793556.db2.gz WRSDQYJGMQKPBI-IINYFYTJSA-N 1 0 390.285 2.997 20 0 GFADRO OCCCCC[NH+]1CCN(C[C@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000931499145 664796460 /nfs/dbraw/zinc/79/64/60/664796460.db2.gz ADDBOZODTYPCHC-INIZCTEOSA-N 1 0 391.339 2.513 20 0 GFADRO Cc1ccc(F)c(Br)c1NC(=O)N1CCN(C)CC[N@@H+](C)CC1 ZINC000931581847 664799861 /nfs/dbraw/zinc/79/98/61/664799861.db2.gz SIOLUSBYAOPRCS-UHFFFAOYSA-N 1 0 387.297 2.608 20 0 GFADRO C[NH+](C)C[C@H]1CCCN1C(=O)c1cc(Br)cnc1Br ZINC000931664719 664802151 /nfs/dbraw/zinc/80/21/51/664802151.db2.gz UFWIMLBUQSYJOC-SNVBAGLBSA-N 1 0 391.107 2.773 20 0 GFADRO C[NH+](C)[C@H]1CCCN(C(=O)c2cc(Br)cnc2Br)C1 ZINC000931693014 664802922 /nfs/dbraw/zinc/80/29/22/664802922.db2.gz SZCPQXDPNNQPGL-JTQLQIEISA-N 1 0 391.107 2.773 20 0 GFADRO CS(C)(=O)=Nc1cccc(NC(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@H]23)c1 ZINC000931716321 664803372 /nfs/dbraw/zinc/80/33/72/664803372.db2.gz JGUUJKSKHCPEAL-HZPDHXFCSA-N 1 0 382.555 2.747 20 0 GFADRO COC[C@H]([NH2+]Cc1cc(C(=O)OC)ccc1Br)[C@@H]1CCCOC1 ZINC000931754582 664804324 /nfs/dbraw/zinc/80/43/24/664804324.db2.gz HIERKQJUXVOGJS-CJNGLKHVSA-N 1 0 386.286 2.767 20 0 GFADRO CN(C)c1cc[nH+]c(CNC(=O)Nc2nn(CC(F)(F)F)cc2Cl)c1 ZINC000931798739 664805316 /nfs/dbraw/zinc/80/53/16/664805316.db2.gz FMUKRUCQGGNPHM-UHFFFAOYSA-N 1 0 376.770 2.882 20 0 GFADRO COC(=O)c1ccc(CN2CC[C@@H](c3noc(C)n3)C2)c(Br)c1 ZINC000931934813 664807428 /nfs/dbraw/zinc/80/74/28/664807428.db2.gz FUYAFSQBYGJVOU-CYBMUJFWSA-N 1 0 380.242 2.917 20 0 GFADRO C[C@]1(C2CC[NH+](C[C@H](O)c3ccc(Br)cc3)CC2)COC(=O)N1 ZINC000932090942 664809998 /nfs/dbraw/zinc/80/99/98/664809998.db2.gz CSWFWKJONXUKBI-DOTOQJQBSA-N 1 0 383.286 2.693 20 0 GFADRO COC(=O)C[C@@H]1C[N@H+](CC(=O)N(C)Cc2ccccc2Br)C[C@H]1C ZINC000932111850 664810350 /nfs/dbraw/zinc/81/03/50/664810350.db2.gz HCOXKABSOCSEKM-UKRRQHHQSA-N 1 0 397.313 2.539 20 0 GFADRO CC(C)(C)n1nnc(CC[NH2+][C@H]2CCOc3ccc(Br)cc32)n1 ZINC000932206197 664813373 /nfs/dbraw/zinc/81/33/73/664813373.db2.gz XSEWHAKVIVFGKS-ZDUSSCGKSA-N 1 0 380.290 2.847 20 0 GFADRO C[NH+](C)CCCOc1ccc(NC(=O)c2ncc(Br)cn2)cc1 ZINC000932236092 664815347 /nfs/dbraw/zinc/81/53/47/664815347.db2.gz ZIQJYLMDQMLENN-UHFFFAOYSA-N 1 0 379.258 2.822 20 0 GFADRO CC(C)[NH+]1CCN(CCCN2CCC[C@@H]2c2ncc(Br)cn2)CC1 ZINC000932257742 664816995 /nfs/dbraw/zinc/81/69/95/664816995.db2.gz GJTRNJONAMMZKW-QGZVFWFLSA-N 1 0 396.377 2.792 20 0 GFADRO CN(C(=O)c1ccc(Br)[nH]c1=O)c1ccc(OCC[NH+](C)C)cc1 ZINC000932510813 664823443 /nfs/dbraw/zinc/82/34/43/664823443.db2.gz LHSWZMIRLDOBJO-UHFFFAOYSA-N 1 0 394.269 2.767 20 0 GFADRO CN(C(=O)c1cc(Br)c2nccnc2c1)[C@@H]1C[NH+]2CCC1CC2 ZINC000932537617 664824932 /nfs/dbraw/zinc/82/49/32/664824932.db2.gz BDSJOKGCIFGXAJ-OAHLLOKOSA-N 1 0 375.270 2.559 20 0 GFADRO CN(C(=O)C[C@@H]1C(=O)Nc2c1cccc2Br)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000932547921 664825527 /nfs/dbraw/zinc/82/55/27/664825527.db2.gz VFWGVEDOJMYAFV-OCCSQVGLSA-N 1 0 392.297 2.570 20 0 GFADRO CCc1ccc(Br)cc1C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000932621429 664830176 /nfs/dbraw/zinc/83/01/76/664830176.db2.gz KIIJJNWJZJEYMU-INIZCTEOSA-N 1 0 394.357 2.910 20 0 GFADRO Cc1c(Br)cc(F)cc1C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000932621436 664830246 /nfs/dbraw/zinc/83/02/46/664830246.db2.gz KMUCZQDYJZAGFL-CQSZACIVSA-N 1 0 398.320 2.795 20 0 GFADRO Cc1ncc(NC(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)c(C)c1Br ZINC000932763532 664835434 /nfs/dbraw/zinc/83/54/34/664835434.db2.gz GTMLDQIXKKJZRN-HUUCEWRRSA-N 1 0 397.317 2.524 20 0 GFADRO O=C(CC[NH+]1CCC([C@H]2COC(=O)N2)CC1)Nc1ccc(Br)cc1 ZINC000932777390 664837460 /nfs/dbraw/zinc/83/74/60/664837460.db2.gz WYIIHVITVIGQDZ-OAHLLOKOSA-N 1 0 396.285 2.598 20 0 GFADRO O=C1N[C@@H](C2CC[NH+](C[C@H](O)COc3ccc(Cl)c(Cl)c3)CC2)CO1 ZINC000932784452 664838378 /nfs/dbraw/zinc/83/83/78/664838378.db2.gz KNHAQJICFFTJAU-BLLLJJGKSA-N 1 0 389.279 2.554 20 0 GFADRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C[C@@H]1C(=O)Nc2c1cccc2Br ZINC000932908316 664842841 /nfs/dbraw/zinc/84/28/41/664842841.db2.gz REBBQSCORMMHRY-OCCSQVGLSA-N 1 0 394.313 2.675 20 0 GFADRO COc1ncc(NC(=O)Nc2ccn(CC[NH+](C)C)n2)c(C)c1Br ZINC000932949894 664844654 /nfs/dbraw/zinc/84/46/54/664844654.db2.gz FGHFBSOZZAFLBL-UHFFFAOYSA-N 1 0 397.277 2.563 20 0 GFADRO Cc1ccc2[nH]c(C(=O)NCCC[NH+]3CCC(O)CC3)cc2c1Br ZINC000933131921 664850566 /nfs/dbraw/zinc/85/05/66/664850566.db2.gz NSVZREPSTMTGKT-UHFFFAOYSA-N 1 0 394.313 2.815 20 0 GFADRO CC[C@H]1C(=O)NCCC[N@H+]1CCC(=O)Nc1ccc(Br)cc1F ZINC000933226560 664853092 /nfs/dbraw/zinc/85/30/92/664853092.db2.gz JROLQJMDSUVWSN-AWEZNQCLSA-N 1 0 386.265 2.517 20 0 GFADRO O[C@@H](CNC1(c2ncccn2)CCOCC1)c1ccc(Br)cc1 ZINC000933335393 664859696 /nfs/dbraw/zinc/85/96/96/664859696.db2.gz BHVNPSWVYCCZIT-HNNXBMFYSA-N 1 0 378.270 2.568 20 0 GFADRO O=C(c1cc(Br)c2nccnc2c1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000933335720 664859847 /nfs/dbraw/zinc/85/98/47/664859847.db2.gz YCRCLPGETFASBP-CYBMUJFWSA-N 1 0 389.297 2.950 20 0 GFADRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1cc2ccc(Br)cc2c(=O)o1 ZINC000933433501 664863789 /nfs/dbraw/zinc/86/37/89/664863789.db2.gz DPDPTUKKDSEUKC-XHDPSFHLSA-N 1 0 393.281 2.968 20 0 GFADRO C[C@@](CO)(Cc1ccc(Br)cc1)[NH2+]CC(=O)Nc1ccc(O)cc1 ZINC000933436703 664863989 /nfs/dbraw/zinc/86/39/89/664863989.db2.gz GDIQKUNNCYHXES-SFHVURJKSA-N 1 0 393.281 2.677 20 0 GFADRO C[C@](CO)(Cc1ccc(Br)cc1)[NH2+]CCc1ccc(C(N)=O)cc1 ZINC000933439179 664864294 /nfs/dbraw/zinc/86/42/94/664864294.db2.gz JVNUMVOUCCLPQY-LJQANCHMSA-N 1 0 391.309 2.674 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2nc(Br)c3ccccn32)[C@@H](C)C1 ZINC000933439981 664864431 /nfs/dbraw/zinc/86/44/31/664864431.db2.gz WRXLWGWWAYTMQL-QWHCGFSZSA-N 1 0 379.302 2.899 20 0 GFADRO C[C@H]1C[C@H](N(C)C(=O)c2cc(Br)c3nccnc3c2)CC[N@@H+]1C ZINC000933440218 664864462 /nfs/dbraw/zinc/86/44/62/664864462.db2.gz BSCGJMRFLUPTPB-WCQYABFASA-N 1 0 377.286 2.947 20 0 GFADRO C[N@@H+]1C[C@@H]2CN(CCC(=O)Nc3ccc(Br)cc3F)C[C@]2(C)C1 ZINC000933745686 664876782 /nfs/dbraw/zinc/87/67/82/664876782.db2.gz SRBBRPFTWVTKFA-PXAZEXFGSA-N 1 0 384.293 2.800 20 0 GFADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc(Br)c3nccnc3c2)C1 ZINC000933796974 664878288 /nfs/dbraw/zinc/87/82/88/664878288.db2.gz BJQBUPIQIFQKPD-LBPRGKRZSA-N 1 0 377.286 2.806 20 0 GFADRO CCOC(=O)C1([C@@H](C)[NH2+][C@H](C)c2ncc(Br)cn2)CCOCC1 ZINC000933883684 664879778 /nfs/dbraw/zinc/87/97/78/664879778.db2.gz KIEHNQHLJGLIKM-VXGBXAGGSA-N 1 0 386.290 2.638 20 0 GFADRO O=C(CC[N@@H+]1CCC[C@@H]1C1OCCO1)Nc1ccc(Br)cc1F ZINC000933908283 664879934 /nfs/dbraw/zinc/87/99/34/664879934.db2.gz IRQACVAKASRAKX-CQSZACIVSA-N 1 0 387.249 2.754 20 0 GFADRO COCCOc1ccc(NC(=O)N[C@H](C)CC[NH+](C)C)cc1Br ZINC000933989685 664885859 /nfs/dbraw/zinc/88/58/59/664885859.db2.gz WVCDQRIKEJZAFY-GFCCVEGCSA-N 1 0 388.306 2.936 20 0 GFADRO CN1CCN(CC(=O)Nc2c(Cl)cc(Cl)cc2Cl)CC[N@H+](C)CC1 ZINC000933995973 664886328 /nfs/dbraw/zinc/88/63/28/664886328.db2.gz NRMPHLRERONORU-UHFFFAOYSA-N 1 0 393.746 2.765 20 0 GFADRO O[C@@H](C[NH2+]C1(c2ccc3c(c2)OCCO3)CC1)c1cc(Br)no1 ZINC000934000839 664886357 /nfs/dbraw/zinc/88/63/57/664886357.db2.gz RYHJCILDTNTIGF-NSHDSACASA-N 1 0 381.226 2.521 20 0 GFADRO C[C@H]([NH2+]CCC(=O)Nc1sc2c(c1C(N)=O)CCCC2)c1cncs1 ZINC000934199066 664891976 /nfs/dbraw/zinc/89/19/76/664891976.db2.gz YCLUBLJPRUCWKV-JTQLQIEISA-N 1 0 378.523 2.862 20 0 GFADRO C[C@H](Cc1cccnc1)[NH2+]CC(=O)Nc1ccccc1I ZINC000934232288 664892990 /nfs/dbraw/zinc/89/29/90/664892990.db2.gz DNFIWGOCHNDMKN-GFCCVEGCSA-N 1 0 395.244 2.846 20 0 GFADRO C[C@@H](Cc1cccnc1)[NH2+]CC(=O)Nc1ccccc1I ZINC000934232291 664892995 /nfs/dbraw/zinc/89/29/95/664892995.db2.gz DNFIWGOCHNDMKN-LBPRGKRZSA-N 1 0 395.244 2.846 20 0 GFADRO COc1cc(Br)ccc1CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2CCO ZINC000934263713 664895318 /nfs/dbraw/zinc/89/53/18/664895318.db2.gz DGFGVKVWTSIOAW-ZWKOTPCHSA-N 1 0 397.357 2.921 20 0 GFADRO COCCN(C(C)=O)c1nc(CN2CC[C@H](Cc3nccs3)C2)cs1 ZINC000934332530 664899717 /nfs/dbraw/zinc/89/97/17/664899717.db2.gz KPTZPESKDCFGPC-CQSZACIVSA-N 1 0 380.539 2.664 20 0 GFADRO O=C(C[NH2+][C@H]1CCOC12CCOCC2)Nc1nc(-c2cccs2)cs1 ZINC000934400315 664905541 /nfs/dbraw/zinc/90/55/41/664905541.db2.gz NZWMTEVVMJAMBU-AWEZNQCLSA-N 1 0 379.507 2.738 20 0 GFADRO CCN(CC(F)(F)F)C(=O)C[NH2+][C@@](C)(CO)c1cccc(Br)c1 ZINC000934495351 664908616 /nfs/dbraw/zinc/90/86/16/664908616.db2.gz NZRCSAXJWLRROC-AWEZNQCLSA-N 1 0 397.235 2.657 20 0 GFADRO COc1ccc(NC(=O)C[NH2+][C@@](C)(CO)c2cccc(Br)c2)cc1 ZINC000934497929 664909492 /nfs/dbraw/zinc/90/94/92/664909492.db2.gz STPCWWNBMDCRNC-SFHVURJKSA-N 1 0 393.281 2.894 20 0 GFADRO Cc1cc(NC(=O)CC[NH2+][C@@](C)(CO)c2cccc(Br)c2)no1 ZINC000934497915 664909504 /nfs/dbraw/zinc/90/95/04/664909504.db2.gz SIVVECYTATVITJ-INIZCTEOSA-N 1 0 382.258 2.571 20 0 GFADRO CN(C)[S@@](C)(=O)=NCC1CC[NH+](C[C@H](O)c2ccc(Cl)c(F)c2)CC1 ZINC000934753413 664918890 /nfs/dbraw/zinc/91/88/90/664918890.db2.gz XJUQPXDCCDDMAT-GKVSMKOHSA-N 1 0 391.940 2.799 20 0 GFADRO Cc1cccc([C@H](O)C[NH2+][C@@H](CO)c2ccccc2I)c1 ZINC000934827212 664924926 /nfs/dbraw/zinc/92/49/26/664924926.db2.gz SIPYCVNVIVBMGX-DLBZAZTESA-N 1 0 397.256 2.956 20 0 GFADRO Cc1noc(C)c1CC[NH2+][C@@H](CO)c1ccccc1I ZINC000934827424 664925088 /nfs/dbraw/zinc/92/50/88/664925088.db2.gz WBJQCHQKVAZAEY-HNNXBMFYSA-N 1 0 386.233 2.762 20 0 GFADRO OC[C@H]([NH2+]CCCc1ccncc1)c1ccccc1I ZINC000934828700 664925817 /nfs/dbraw/zinc/92/58/17/664925817.db2.gz RGAJZINWMOWRLF-INIZCTEOSA-N 1 0 382.245 2.942 20 0 GFADRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2nc(Br)c3ccccn32)C1 ZINC000934950859 664931285 /nfs/dbraw/zinc/93/12/85/664931285.db2.gz MTOORGJBXZEZSJ-QWHCGFSZSA-N 1 0 377.286 2.653 20 0 GFADRO O=C(NCCCC[N@H+]1CCC[C@@H]1CO)c1ncc(C(F)(F)F)cc1Cl ZINC000934954241 664931681 /nfs/dbraw/zinc/93/16/81/664931681.db2.gz OLMPLKCWJYCLST-GFCCVEGCSA-N 1 0 379.810 2.721 20 0 GFADRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)c1cc2ccc(Br)cc2c(=O)o1 ZINC000935214294 664946398 /nfs/dbraw/zinc/94/63/98/664946398.db2.gz QNBLZPGGCAJDMN-GHMZBOCLSA-N 1 0 379.254 2.720 20 0 GFADRO C[C@@H](NC(=O)[C@](C)(O)c1ccc(F)c(Br)c1)C1=CC[N@H+](C)CC1 ZINC000935316776 664953545 /nfs/dbraw/zinc/95/35/45/664953545.db2.gz UMYLPTNIDHNWIP-PIGZYNQJSA-N 1 0 385.277 2.562 20 0 GFADRO CS[C@@H]1CN(C(=O)c2nc(C)ccc2Br)C[C@@H]1[NH+]1CCCC1 ZINC000935368370 664956901 /nfs/dbraw/zinc/95/69/01/664956901.db2.gz QXOWKTQOGXELOQ-UONOGXRCSA-N 1 0 384.343 2.804 20 0 GFADRO COc1c[nH+]ccc1N1CCN(C(=O)c2nc(C)ccc2Br)CC1 ZINC000935768025 664987603 /nfs/dbraw/zinc/98/76/03/664987603.db2.gz QWTDZGLVFOOTBO-UHFFFAOYSA-N 1 0 391.269 2.519 20 0 GFADRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1ccc2c(Br)cnn2c1 ZINC000935940657 665000238 /nfs/dbraw/zinc/00/02/38/665000238.db2.gz PHBRIUNSCUDKNH-OCCSQVGLSA-N 1 0 377.286 2.796 20 0 GFADRO O=C(NC1CC2(C1)CC([NH2+]Cc1cnc(Cl)s1)C2)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000965230111 665014746 /nfs/dbraw/zinc/01/47/46/665014746.db2.gz OFAFEWXXRGGPMD-RCWVSRPPSA-N 1 0 381.929 2.881 20 0 GFADRO C[N@@H+]1CCCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccsc1Cl)C2 ZINC000996390097 665031653 /nfs/dbraw/zinc/03/16/53/665031653.db2.gz QMNJWVBRJJEEKB-UNQGMJICSA-N 1 0 381.929 2.748 20 0 GFADRO C[C@@H]1[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ccsc2Cl)C3)CC[N@@H+]1C ZINC000996395247 665031753 /nfs/dbraw/zinc/03/17/53/665031753.db2.gz WALDZSXQOZVRSA-FPVZYODXSA-N 1 0 381.929 2.603 20 0 GFADRO C[C@H]1CC[N@H+](CC(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ccc(Cl)s2)C3)C1 ZINC001000585736 665047364 /nfs/dbraw/zinc/04/73/64/665047364.db2.gz NXLQDRHIHSBFLK-CRWXNKLISA-N 1 0 381.929 2.605 20 0 GFADRO O=S1CCC([NH2+]Cc2c(Br)cncc2Br)CC1 ZINC000394553354 677411168 /nfs/dbraw/zinc/41/11/68/677411168.db2.gz FVNQGFPCEXOOJM-UHFFFAOYSA-N 1 0 382.121 2.607 20 0 GFADRO Cc1nc(Cl)ccc1S(=O)(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H]1C ZINC000385195013 677406937 /nfs/dbraw/zinc/40/69/37/677406937.db2.gz WOTUVBRYJOSCOT-HOCLYGCPSA-N 1 0 379.913 2.985 20 0 GFADRO C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1[NH2+]Cc1nn(C)cc1Br ZINC000393334063 677410602 /nfs/dbraw/zinc/41/06/02/677410602.db2.gz WAFZSWUIKZKKLT-DGCLKSJQSA-N 1 0 387.322 2.918 20 0 GFADRO CC(C)(C)OC(=O)N1CCO[C@@H](C[NH2+]Cc2ccc(Br)cn2)C1 ZINC000397462473 677411696 /nfs/dbraw/zinc/41/16/96/677411696.db2.gz ODGULTBLZIKRBF-AWEZNQCLSA-N 1 0 386.290 2.570 20 0 GFADRO C[C@@H]1CN([C@H](C[NH2+]C[C@H](O)C(F)(F)F)c2c(F)cccc2Cl)CCO1 ZINC000579827096 677673578 /nfs/dbraw/zinc/67/35/78/677673578.db2.gz GMORWZAZXFHVBL-HONMWMINSA-N 1 0 384.801 2.754 20 0 GFADRO CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccc(Cl)s2)C[C@@H]1n1ccnn1 ZINC001070259373 677675916 /nfs/dbraw/zinc/67/59/16/677675916.db2.gz LXDJONNCXWHJQZ-SYQHCUMBSA-N 1 0 379.917 2.548 20 0 GFADRO Fc1ccc(-c2cc(C(F)(F)N3CCN4CC[NH2+]C[C@H]4C3)c(Cl)nn2)cc1 ZINC001164400504 718844546 /nfs/dbraw/zinc/84/45/46/718844546.db2.gz YPNIBVUSPLPPAH-AWEZNQCLSA-N 1 0 397.832 2.575 20 0 GFADRO Fc1cccc2c(Cl)nc(C(F)(F)N3CCO[C@H]4C[NH2+]CC[C@@H]4C3)nc12 ZINC001164403416 718862064 /nfs/dbraw/zinc/86/20/64/718862064.db2.gz NPILTECBFDBHRC-MFKMUULPSA-N 1 0 386.805 2.782 20 0 GFADRO FC(F)(c1ccc(Cl)c(Cl)n1)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001164416212 718885219 /nfs/dbraw/zinc/88/52/19/718885219.db2.gz UQSIPKITFKJPFC-UHFFFAOYSA-N 1 0 389.237 2.624 20 0 GFADRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(F)(F)c1cnc(Cl)cc1Cl ZINC001164618818 719012924 /nfs/dbraw/zinc/01/29/24/719012924.db2.gz TWWHUKVPGBISDW-KPXOXKRLSA-N 1 0 380.222 2.663 20 0 GFADRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(F)(F)c1cc(SC)cnc1Cl ZINC001164620374 719016993 /nfs/dbraw/zinc/01/69/93/719016993.db2.gz YPRGLNPFYDZKFV-TVYUQYBPSA-N 1 0 391.871 2.732 20 0 GFADRO CCOC(=O)C1CC[NH+](C2CCN(c3nc(Cl)nc4c3CCC4)CC2)CC1 ZINC001164613775 719023001 /nfs/dbraw/zinc/02/30/01/719023001.db2.gz DFKKABXUVLHGAT-UHFFFAOYSA-N 1 0 392.931 2.863 20 0 GFADRO CCOC(=O)C1CC[NH+](C2CCN(c3cc(N(CC)CC)ncn3)CC2)CC1 ZINC001164617874 719029296 /nfs/dbraw/zinc/02/92/96/719029296.db2.gz QPNGCCAJTQIIRM-UHFFFAOYSA-N 1 0 389.544 2.567 20 0 GFADRO CC(C)C[NH+]1CCN(c2nc(Cl)nc3c2ncn3[C@@H]2CCCCO2)CC1 ZINC001164653490 719332693 /nfs/dbraw/zinc/33/26/93/719332693.db2.gz GCPCKPVXDYASDM-AWEZNQCLSA-N 1 0 378.908 2.957 20 0 GFADRO Cc1cc2nc(N3CC[NH+](CC(C)C)CC3)nc(N3CCOCC3)c2s1 ZINC001164655039 719335100 /nfs/dbraw/zinc/33/51/00/719335100.db2.gz ZFFFMABCQQDUDB-UHFFFAOYSA-N 1 0 375.542 2.614 20 0 GFADRO CC(C)N(C)Cc1nn(-c2nccnc2Oc2ccccc2)c2c1CC[NH2+]C2 ZINC001164680222 719646820 /nfs/dbraw/zinc/64/68/20/719646820.db2.gz SKWHZTVTKLUFTR-UHFFFAOYSA-N 1 0 378.480 2.941 20 0 GFADRO COCc1cc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)nc(C)n1 ZINC001164695333 719891153 /nfs/dbraw/zinc/89/11/53/719891153.db2.gz OJFOIYAVLDNVRB-UHFFFAOYSA-N 1 0 388.537 2.864 20 0 GFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ccc(N3CCCCC3)nn1)C2 ZINC001164812235 720068629 /nfs/dbraw/zinc/06/86/29/720068629.db2.gz PYDCDBMTOCYCAR-UGKGYDQZSA-N 1 0 385.556 2.652 20 0 GFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nccc(Cl)c1C(=O)OC)C2 ZINC001164805920 720077192 /nfs/dbraw/zinc/07/71/92/720077192.db2.gz AUKNZTBBUUVDND-YWZLYKJASA-N 1 0 393.915 2.706 20 0 GFADRO CCOC(=O)c1cc(C)cc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COC)n1 ZINC001164809276 720085569 /nfs/dbraw/zinc/08/55/69/720085569.db2.gz JEQHRUDLPJJTFA-XMSQKQJNSA-N 1 0 387.524 2.751 20 0 GFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ncnc3c(OC)cccc31)C2 ZINC001164809817 720087435 /nfs/dbraw/zinc/08/74/35/720087435.db2.gz KRAIRCCWSFXOEL-HTAPYJJXSA-N 1 0 382.508 2.823 20 0 GFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cc3nc(C(=O)OC)cc-3c[nH]1)C2 ZINC001164815585 720151596 /nfs/dbraw/zinc/15/15/96/720151596.db2.gz IJSVSBNSDQIBBY-JTSKRJEESA-N 1 0 398.507 2.534 20 0 GFADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc3c(nn1)CCC3)CC2 ZINC001164714660 720151717 /nfs/dbraw/zinc/15/17/17/720151717.db2.gz XVUNORRCCHPBJI-HXUWFJFHSA-N 1 0 393.535 2.868 20 0 GFADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2cc(Cl)ncc2F)CC1 ZINC001164826620 720315479 /nfs/dbraw/zinc/31/54/79/720315479.db2.gz VWXBQNFVCQRNDT-JKSUJKDBSA-N 1 0 380.895 2.786 20 0 GFADRO CCOC(=O)/C=C/c1cccnc1N1CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164728445 720337301 /nfs/dbraw/zinc/33/73/01/720337301.db2.gz VPVXLFOERRHEGP-WWTANLFGSA-N 1 0 378.476 2.906 20 0 GFADRO C[C@@H]1CCc2nnc(N3CC[C@@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)cc2C1 ZINC001164824404 720349316 /nfs/dbraw/zinc/34/93/16/720349316.db2.gz IFNVDDRDFOQGSZ-TYCQWZJGSA-N 1 0 397.567 2.513 20 0 GFADRO COC(=O)c1cccc2nc(N3CC[C@@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)ncc21 ZINC001164726579 720363376 /nfs/dbraw/zinc/36/33/76/720363376.db2.gz PSTKSFAAPKIGNZ-WOJBJXKFSA-N 1 0 389.459 2.665 20 0 GFADRO CCOC(=O)c1cnc(C2CC2)nc1N1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164728298 720383052 /nfs/dbraw/zinc/38/30/52/720383052.db2.gz SVOHFFVKCJAJEA-MOPGFXCFSA-N 1 0 393.491 2.779 20 0 GFADRO Cc1noc([C@@H]2CC[C@H]3[C@@H](CCN3c3cccc(OCC[NH+]4CCCC4)n3)O2)n1 ZINC001164828783 720406670 /nfs/dbraw/zinc/40/66/70/720406670.db2.gz LGFDJBBNIANMMT-KSZLIROESA-N 1 0 399.495 2.747 20 0 GFADRO CC(C)(C)NC(=O)c1ccnc(N2CC[C@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)c1 ZINC001164725650 720414791 /nfs/dbraw/zinc/41/47/91/720414791.db2.gz AIBOSWGFBBJSJN-OALUTQOASA-N 1 0 379.508 2.858 20 0 GFADRO COc1cnc(Cl)nc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164840733 720510033 /nfs/dbraw/zinc/51/00/33/720510033.db2.gz XIOZTSJMXAAJOH-OWCLPIDISA-N 1 0 390.919 2.713 20 0 GFADRO COC(=O)c1cc(C)nc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c1 ZINC001164839397 720510610 /nfs/dbraw/zinc/51/06/10/720510610.db2.gz UAHJALHBQXVGSH-XUVXKRRUSA-N 1 0 397.523 2.751 20 0 GFADRO C[NH+](C)C[C@H]1Cn2ccnc2CN(c2cncc(Oc3cccc(F)c3)n2)C1 ZINC001164732545 720519863 /nfs/dbraw/zinc/51/98/63/720519863.db2.gz DMBARWPFGNTSRI-HNNXBMFYSA-N 1 0 382.443 2.803 20 0 GFADRO F[C@@H](Oc1cccc(Cl)n1)N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001164727355 720564930 /nfs/dbraw/zinc/56/49/30/720564930.db2.gz FKDALQQFSFWNTG-GOSISDBHSA-N 1 0 379.867 2.718 20 0 GFADRO CCN(CC)c1cncc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)n1 ZINC001164840831 720572095 /nfs/dbraw/zinc/57/20/95/720572095.db2.gz UDPRIGDJKVLOLF-VAMGGRTRSA-N 1 0 397.571 2.897 20 0 GFADRO CC(=O)Nc1c(C)ccnc1N1CC[C@@H]2[C@H](C[C@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001164835917 720589116 /nfs/dbraw/zinc/58/91/16/720589116.db2.gz CRXRNEJDMVQLER-VAMGGRTRSA-N 1 0 396.539 2.923 20 0 GFADRO c1ncn(C[C@H]2C[C@@H]3CN(c4nccc5scnc54)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164741237 720832273 /nfs/dbraw/zinc/83/22/73/720832273.db2.gz MQOVIHPSWPGLOO-BRWVUGGUSA-N 1 0 395.536 2.662 20 0 GFADRO CCCc1cc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc(C)n1 ZINC001164741159 720838252 /nfs/dbraw/zinc/83/82/52/720838252.db2.gz DMEZBIJFEBPWPF-CEWLAPEOSA-N 1 0 395.555 2.708 20 0 GFADRO COCC[N@@H+]1CCO[C@H]2CN(c3nc(C)nc4cc(Cl)ccc43)CC[C@H]2C1 ZINC001164853533 720856991 /nfs/dbraw/zinc/85/69/91/720856991.db2.gz GXNLJMKOEJCINF-KXBFYZLASA-N 1 0 390.915 2.765 20 0 GFADRO COCC[N@@H+]1CCO[C@@H]2CN(C(F)(F)c3ccc(C)c(Cl)n3)CC[C@@H]2C1 ZINC001164853040 720858136 /nfs/dbraw/zinc/85/81/36/720858136.db2.gz GFMOPWLZZZRSPP-HUUCEWRRSA-N 1 0 389.874 2.762 20 0 GFADRO COCC[N@@H+]1CCO[C@H]2CN(c3cc(C)c4ccc(OC)cc4n3)CC[C@@H]2C1 ZINC001164853572 720863473 /nfs/dbraw/zinc/86/34/73/720863473.db2.gz HNLVWOTVFXUBLC-UTKZUKDTSA-N 1 0 385.508 2.725 20 0 GFADRO COCC[N@@H+]1CCO[C@H]2CN(c3cc(Cl)nc4[nH]cc(C)c43)CC[C@@H]2C1 ZINC001164857496 720872626 /nfs/dbraw/zinc/87/26/26/720872626.db2.gz JTVCWSDUDAJSPB-ZBFHGGJFSA-N 1 0 378.904 2.698 20 0 GFADRO COCC[N@@H+]1CCO[C@H]2CN(c3nccc4cc(OC)c(F)cc43)CC[C@H]2C1 ZINC001164858630 720887984 /nfs/dbraw/zinc/88/79/84/720887984.db2.gz LMRGTDRQRPHBCQ-JXFKEZNVSA-N 1 0 389.471 2.556 20 0 GFADRO Fc1ccc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)nn1 ZINC001164757137 720892329 /nfs/dbraw/zinc/89/23/29/720892329.db2.gz SWMGUFHKUSUFPM-SIKLNZKXSA-N 1 0 397.498 2.766 20 0 GFADRO Cc1nc2nc(Cl)nc(N3CCn4c(C[N@@H+](C)C(C)C)cnc4[C@H]3C)c2[nH]1 ZINC001164862520 720946101 /nfs/dbraw/zinc/94/61/01/720946101.db2.gz VYTUXRGEXVHEKI-LLVKDONJSA-N 1 0 388.907 2.933 20 0 GFADRO C[NH+](C)CCNC(=O)c1noc2c1CN(c1nc3ccccc3cc1Cl)CC2 ZINC001164748643 720951229 /nfs/dbraw/zinc/95/12/29/720951229.db2.gz CHCKAQDCXQPZTQ-UHFFFAOYSA-N 1 0 399.882 2.730 20 0 GFADRO COCc1cc(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@H]2C)nc(SC)n1 ZINC001164861898 720959054 /nfs/dbraw/zinc/95/90/54/720959054.db2.gz UTVJAPTZZHEKQF-CQSZACIVSA-N 1 0 390.557 2.963 20 0 GFADRO CCCNC(=O)c1cccnc1N1CCn2c(C[N@H+](C)C(C)C)cnc2[C@H]1C ZINC001164862728 721001185 /nfs/dbraw/zinc/00/11/85/721001185.db2.gz UEGRLTGROVJIPQ-MRXNPFEDSA-N 1 0 384.528 2.839 20 0 GFADRO FC(F)(c1ccnc(Cl)n1)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164865887 721039753 /nfs/dbraw/zinc/03/97/53/721039753.db2.gz BHIVNTJRTUHFHB-CABCVRRESA-N 1 0 395.841 2.550 20 0 GFADRO FC(F)(c1cc(Cl)ncn1)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164869423 721040892 /nfs/dbraw/zinc/04/08/92/721040892.db2.gz SSHQJKKIFZTTPG-LSDHHAIUSA-N 1 0 395.841 2.550 20 0 GFADRO Cc1sc2ncnc(N3C[C@@H]4C[N@H+](Cc5cnn(C)c5)CC[C@@H]4C3)c2c1C ZINC001164764351 721086503 /nfs/dbraw/zinc/08/65/03/721086503.db2.gz HGPIGWOUJCOZSR-SJORKVTESA-N 1 0 382.537 3.000 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4cc(C(=O)OC(C)(C)C)ccn4)C[C@H]3C2)cn1 ZINC001164773197 721086751 /nfs/dbraw/zinc/08/67/51/721086751.db2.gz XBANDIZZFQVTND-RBUKOAKNSA-N 1 0 397.523 2.729 20 0 GFADRO CSc1ncc(Cl)c(N2C[C@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)n1 ZINC001164762855 721089283 /nfs/dbraw/zinc/08/92/83/721089283.db2.gz FIKPTOQONGEQLE-ZIAGYGMSSA-N 1 0 378.933 2.544 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4ncnc5ccc(Cl)cc54)C[C@H]3C2)cn1 ZINC001164771269 721091524 /nfs/dbraw/zinc/09/15/24/721091524.db2.gz RXDBKVLJRVUZIZ-HZPDHXFCSA-N 1 0 382.899 2.975 20 0 GFADRO CC(C)(C)Oc1ccnc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164865794 721093222 /nfs/dbraw/zinc/09/32/22/721093222.db2.gz POMXDHISWDWTKK-MSOLQXFVSA-N 1 0 383.496 2.529 20 0 GFADRO Cc1cccc2ncnc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)c12 ZINC001164867750 721093880 /nfs/dbraw/zinc/09/38/80/721093880.db2.gz ZYCBTUFCKROUHK-RTBURBONSA-N 1 0 375.476 2.813 20 0 GFADRO Cc1c[nH]c2nc(Cl)nc(N3C[C@@H]4C[N@H+](Cc5cnn(C)c5)CC[C@@H]4C3)c12 ZINC001164768201 721104402 /nfs/dbraw/zinc/10/44/02/721104402.db2.gz NULXGPFELKSEFV-CABCVRRESA-N 1 0 385.903 2.612 20 0 GFADRO CC(C)COc1cccc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164879844 721125983 /nfs/dbraw/zinc/12/59/83/721125983.db2.gz ULXJEPCBFXALHC-WOJBJXKFSA-N 1 0 382.508 2.991 20 0 GFADRO CCCN(CCC)c1cc(N2C[C@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)ncn1 ZINC001164771437 721168963 /nfs/dbraw/zinc/16/89/63/721168963.db2.gz PRZCRQYINXNBMS-WOJBJXKFSA-N 1 0 397.571 2.795 20 0 GFADRO CCCN(CCC)c1cncc(N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@H]3C2)n1 ZINC001164772394 721171725 /nfs/dbraw/zinc/17/17/25/721171725.db2.gz UMWQWWBRFOHYTA-PMACEKPBSA-N 1 0 397.571 2.795 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4ccc(-c5ccccc5F)nn4)C[C@H]3C2)cn1 ZINC001164765155 721217640 /nfs/dbraw/zinc/21/76/40/721217640.db2.gz HZDBBPIXXSCQPU-ZWKOTPCHSA-N 1 0 392.482 2.975 20 0 GFADRO CCN1C(=O)[C@]2(CC[C@@H]3CN(c4ccc(C[N@H+](C)C5CC5)cn4)C[C@H]32)N=C1C ZINC001164872526 721233576 /nfs/dbraw/zinc/23/35/76/721233576.db2.gz MBZPTRHSRSWCGA-SFGWALBWSA-N 1 0 381.524 2.541 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4nc(C5CC5)nc5[nH]ccc54)C[C@@H]3C2)cn1 ZINC001164764602 721236780 /nfs/dbraw/zinc/23/67/80/721236780.db2.gz OYTBAHOMSZHZBQ-SJORKVTESA-N 1 0 377.496 2.527 20 0 GFADRO Cc1ccc(Cl)nc1N1CC[C@@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2 ZINC001164894535 721381104 /nfs/dbraw/zinc/38/11/04/721381104.db2.gz YVBZWSUYPPKXFT-YLJYHZDGSA-N 1 0 378.948 2.809 20 0 GFADRO Cc1ccc(Cl)nc1N1CC[C@@]2(C1)CCC[C@@H](C[NH+]1CCN(C)CC1)O2 ZINC001164894531 721381124 /nfs/dbraw/zinc/38/11/24/721381124.db2.gz YVBZWSUYPPKXFT-FXAWDEMLSA-N 1 0 378.948 2.809 20 0 GFADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4ncnc5ccc(F)cc54)C3)O2)CC1 ZINC001164893601 721388446 /nfs/dbraw/zinc/38/84/46/721388446.db2.gz VVPXYGBBTJEXLN-XMSQKQJNSA-N 1 0 399.514 2.534 20 0 GFADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4ncc(F)cc4Cl)C3)O2)CC1 ZINC001164885765 721403404 /nfs/dbraw/zinc/40/34/04/721403404.db2.gz HHBIXSBMOWDKIE-LPHOPBHVSA-N 1 0 382.911 2.640 20 0 GFADRO Cc1ccnc(N2CC[C@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)c1Cl ZINC001164885842 721404775 /nfs/dbraw/zinc/40/47/75/721404775.db2.gz HQKJHMZJCNYRHN-PXNSSMCTSA-N 1 0 378.948 2.809 20 0 GFADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(C)ncc1C)CC2 ZINC001164788523 721457381 /nfs/dbraw/zinc/45/73/81/721457381.db2.gz TVLQOQGSLJXCOI-HXUWFJFHSA-N 1 0 388.556 2.827 20 0 GFADRO C[NH+](C)Cc1ccnc(N2Cc3nccn3C[C@H](COCc3ccccn3)C2)c1 ZINC001164892178 721470468 /nfs/dbraw/zinc/47/04/68/721470468.db2.gz PLFXEILPJPCECK-IBGZPJMESA-N 1 0 392.507 2.588 20 0 GFADRO CC(C)(c1ccnc(Cl)c1)[N@@H+]1CC[C@@H]2OCC[C@@H](C(=O)N3CCCO3)[C@H]2C1 ZINC001164790849 721483530 /nfs/dbraw/zinc/48/35/30/721483530.db2.gz GVRHJHKTJCMPIA-ZACQAIPSSA-N 1 0 393.915 2.861 20 0 GFADRO COc1nc(Cl)cc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)n1 ZINC001164901715 721512152 /nfs/dbraw/zinc/51/21/52/721512152.db2.gz YDZRUUQSFNVHCT-HIFRSBDPSA-N 1 0 378.835 2.620 20 0 GFADRO COC(=O)c1ccc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)nc1C ZINC001164902872 721528630 /nfs/dbraw/zinc/52/86/30/721528630.db2.gz BMWZEGZDZILOPO-SJLPKXTDSA-N 1 0 385.439 2.658 20 0 GFADRO COc1cc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)nc(SC)n1 ZINC001164905240 721534403 /nfs/dbraw/zinc/53/44/03/721534403.db2.gz HESWQCIAGQDMMR-GDBMZVCRSA-N 1 0 390.484 2.688 20 0 GFADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ccc3ncccc3n2)[C@H]2CCCO[C@H]12 ZINC001164808404 721549534 /nfs/dbraw/zinc/54/95/34/721549534.db2.gz RWOFCFAMQIWBMM-VWPQPMDRSA-N 1 0 375.476 2.893 20 0 GFADRO Fc1cccc(O[C@@H]2C[C@H]3CN(c4cc(N5CCCCC5)ncn4)CC[N@@H+]3C2)c1 ZINC001164910203 721552480 /nfs/dbraw/zinc/55/24/80/721552480.db2.gz VWSDSZUGPAJZKI-AZUAARDMSA-N 1 0 397.498 2.948 20 0 GFADRO COc1nccnc1N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164901831 721583613 /nfs/dbraw/zinc/58/36/13/721583613.db2.gz BGPXSXPQUIDRCN-SFHVURJKSA-N 1 0 375.423 2.618 20 0 GFADRO COc1cc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)nc(OC)n1 ZINC001165025086 721806292 /nfs/dbraw/zinc/80/62/92/721806292.db2.gz NMQPVDQANDPEKR-SZMVWBNQSA-N 1 0 383.496 2.626 20 0 GFADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3c(Cl)nccc3C(N)=O)C[C@H]21 ZINC001165020766 721829823 /nfs/dbraw/zinc/82/98/23/721829823.db2.gz DRCHZGPQTRWNRU-ZTFGCOKTSA-N 1 0 399.926 2.966 20 0 GFADRO C[N@H+](Cc1ccc(N2C[C@@H]3COC[C@]3(COCc3ccccn3)C2)nc1)C1CC1 ZINC001164926820 721840200 /nfs/dbraw/zinc/84/02/00/721840200.db2.gz SFZDHFBNJIRYOO-XXBNENTESA-N 1 0 394.519 2.740 20 0 GFADRO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2c1ccc(NC(=O)OC(C)(C)C)cn1 ZINC001164923131 721876392 /nfs/dbraw/zinc/87/63/92/721876392.db2.gz IMGWOBDDMYJYMA-DLBZAZTESA-N 1 0 375.517 2.643 20 0 GFADRO CN(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2c1nc(C(F)F)nc2ccc(F)cc21 ZINC001164934432 721886664 /nfs/dbraw/zinc/88/66/64/721886664.db2.gz RRAMNZYULSMJFN-JKSUJKDBSA-N 1 0 379.430 2.921 20 0 GFADRO C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2c1ccnc(CSc2ccccc2)n1 ZINC001164932030 721887881 /nfs/dbraw/zinc/88/78/81/721887881.db2.gz HLPGLDUWIRNWFI-RTBURBONSA-N 1 0 383.565 2.984 20 0 GFADRO C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2C(Cl)(Cl)Oc1ccc(Cl)nc1 ZINC001164932923 721889884 /nfs/dbraw/zinc/88/98/84/721889884.db2.gz KIICJOODXJUYLA-KBPBESRZSA-N 1 0 393.746 2.913 20 0 GFADRO CN(CC1CC[NH+](C)CC1)c1cc(N2CCN(c3ccccc3F)CC2)ncn1 ZINC001165043439 721937712 /nfs/dbraw/zinc/93/77/12/721937712.db2.gz XNCRGULCGDQUEL-UHFFFAOYSA-N 1 0 398.530 2.720 20 0 GFADRO CCOC(=O)c1cnc(C(F)(F)N2CCC(C[NH+](C)C)CC2)nc1Cl ZINC001165042756 721942401 /nfs/dbraw/zinc/94/24/01/721942401.db2.gz PWYIBAVZVOBCPS-UHFFFAOYSA-N 1 0 376.835 2.630 20 0 GFADRO CC1(C)NC(=O)N(Cc2ccc(N3CCCC[C@H]3CC[NH+]3CCCC3)nc2)C1=O ZINC001165046619 721976265 /nfs/dbraw/zinc/97/62/65/721976265.db2.gz BHCGQCQAAJOUHH-SFHVURJKSA-N 1 0 399.539 2.757 20 0 GFADRO CCOC(=O)[C@@H]1CCc2nnc(N3CCCC[C@H]3CC[NH+]3CCCC3)cc2C1 ZINC001165049865 721979116 /nfs/dbraw/zinc/97/91/16/721979116.db2.gz NCUBPRLYDCNPDT-MJGOQNOKSA-N 1 0 386.540 2.989 20 0 GFADRO CCOC(=O)c1nccc(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)n1 ZINC001164955503 722023028 /nfs/dbraw/zinc/02/30/28/722023028.db2.gz JPWBCEOAFYTFGE-UHFFFAOYSA-N 1 0 381.480 2.541 20 0 GFADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCO[C@]3(CCCN(C(C)=O)C3)C2)nc1 ZINC001164970073 722084140 /nfs/dbraw/zinc/08/41/40/722084140.db2.gz UEZOVUXNORWLIB-IRLDBZIGSA-N 1 0 386.540 2.846 20 0 GFADRO c1coc(-c2cnc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)cn2)c1 ZINC001164970922 722111814 /nfs/dbraw/zinc/11/18/14/722111814.db2.gz AQTKCLCHLDLYPI-GHTZIAJQSA-N 1 0 391.475 2.859 20 0 GFADRO c1c[nH]c(-c2ccnc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)c2)n1 ZINC001164982784 722132444 /nfs/dbraw/zinc/13/24/44/722132444.db2.gz SMWUGYXKPZVDDQ-UXHICEINSA-N 1 0 390.491 2.594 20 0 GFADRO COc1ccc2nc(N3CCCn4cnc(COCC[NH+](C)C)c4C3)ccc2c1 ZINC001164999594 722252708 /nfs/dbraw/zinc/25/27/08/722252708.db2.gz DJABPMFGPWWQEE-UHFFFAOYSA-N 1 0 395.507 2.928 20 0 GFADRO CC(C)COc1cccc(N2CCCn3cnc(COCC[NH+](C)C)c3C2)n1 ZINC001165003111 722255514 /nfs/dbraw/zinc/25/55/14/722255514.db2.gz ZWZJSZPNTQANNH-UHFFFAOYSA-N 1 0 387.528 2.801 20 0 GFADRO C[NH+]1CCN(c2ccc(NC(=O)c3c[nH]nc3-c3ccc(F)cc3)cn2)CC1 ZINC000014521850 210117339 /nfs/dbraw/zinc/11/73/39/210117339.db2.gz REDQJGCVYFYTRA-UHFFFAOYSA-N 1 0 380.427 2.615 20 0 GFADRO CN(C(=O)c1ccc(F)cc1I)[C@H]1C[NH+]2CCC1CC2 ZINC000394290922 563529255 /nfs/dbraw/zinc/52/92/55/563529255.db2.gz ZMYWKQPAKWEHNR-AWEZNQCLSA-N 1 0 388.224 2.597 20 0 GFADRO C[NH+](C)CC1(NS(=O)(=O)c2ccc(Br)cc2Cl)CCC1 ZINC000393556385 563529342 /nfs/dbraw/zinc/52/93/42/563529342.db2.gz YLOUXOMAWKOUOA-UHFFFAOYSA-N 1 0 381.723 2.865 20 0 GFADRO C[C@H](C(=O)NCC(F)(F)F)[N@@H+]1C[C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)[C@H]2C1 ZINC000359993565 209211155 /nfs/dbraw/zinc/21/11/55/209211155.db2.gz KUJYQPOZEGTKJO-RFGFWPKPSA-N 1 0 393.450 2.679 20 0 GFADRO O=C(c1cccc(N2C(=O)c3ccccc3C2=O)c1)N1CCC[N@@H+](C2CC2)CC1 ZINC000359956404 209207488 /nfs/dbraw/zinc/20/74/88/209207488.db2.gz KQUKIJXCMVHXNW-UHFFFAOYSA-N 1 0 389.455 2.798 20 0 GFADRO CC(C)CC(=O)N1Cc2ccccc2C[C@H]1C(=O)N1CCC(C[NH+](C)C)CC1 ZINC000359960213 209207091 /nfs/dbraw/zinc/20/70/91/209207091.db2.gz YVAPRTJMCDDUDX-NRFANRHFSA-N 1 0 385.552 2.786 20 0 GFADRO CCS(=O)(=O)c1ccc(N2CCC([NH2+]C3CCC(OC)CC3)CC2)cc1 ZINC000359956276 209207097 /nfs/dbraw/zinc/20/70/97/209207097.db2.gz DJTKYXATLTZOAO-UHFFFAOYSA-N 1 0 380.554 2.996 20 0 GFADRO COc1cccc([C@@H](NC(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)c2nccn2C)c1 ZINC000359927278 209202961 /nfs/dbraw/zinc/20/29/61/209202961.db2.gz KSGHQUYUFRVNBU-FXAWDEMLSA-N 1 0 399.539 2.938 20 0 GFADRO CC[N@@H+]1CCc2c(cccc2-n2nnc(C(=O)Nc3cc(C)ccn3)c2C)C1 ZINC000359911354 209201066 /nfs/dbraw/zinc/20/10/66/209201066.db2.gz UVXCAAKDJOQGAI-UHFFFAOYSA-N 1 0 376.464 2.909 20 0 GFADRO C[N@@H+]1CC[C@H](CNS(=O)(=O)c2ccc(N)cc2)[C@H]1c1cccc(Cl)c1 ZINC000359899054 209200508 /nfs/dbraw/zinc/20/05/08/209200508.db2.gz MPEOWCDLPIKVIH-RDTXWAMCSA-N 1 0 379.913 2.894 20 0 GFADRO O=S1(=O)CCC[C@H]1C[NH2+]Cc1cc(Br)cc(Br)c1 ZINC000394582992 563529880 /nfs/dbraw/zinc/52/98/80/563529880.db2.gz VIIHHXUWARICSK-LBPRGKRZSA-N 1 0 397.132 2.878 20 0 GFADRO CC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2cccc(Cl)c2)C1 ZINC000072303456 211087027 /nfs/dbraw/zinc/08/70/27/211087027.db2.gz KEOPJKMORRQBPG-LSBZLQRGSA-N 1 0 377.916 2.660 20 0 GFADRO C[C@@H]1C[C@@H](C)N(S(=O)(=O)c2ccc(Br)cc2F)C[C@@H]1C[NH3+] ZINC000397335074 563531913 /nfs/dbraw/zinc/53/19/13/563531913.db2.gz XZZXJORSNQBGAJ-MXWKQRLJSA-N 1 0 379.295 2.582 20 0 GFADRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)CSCc1ccc(Br)cc1F ZINC000432530110 563586333 /nfs/dbraw/zinc/58/63/33/563586333.db2.gz FLWBGNTWEICRBY-IINYFYTJSA-N 1 0 375.307 2.936 20 0 GFADRO COc1ccc([C@@H](C)[NH2+]CC(=O)NC(=O)NCC(C)C)cc1Br ZINC000007879461 551102092 /nfs/dbraw/zinc/10/20/92/551102092.db2.gz QGYZRAPRPZPFPO-LLVKDONJSA-N 1 0 386.290 2.590 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)CSc1nnc(NC2CC2)s1)c1ccccc1 ZINC000016928383 551112435 /nfs/dbraw/zinc/11/24/35/551112435.db2.gz VEJDSSRNOYLXAF-AWEZNQCLSA-N 1 0 377.539 2.624 20 0 GFADRO Cc1cc(S(=O)(=O)N2CCN(c3cc[nH+]cc3)CC2)ccc1Br ZINC000030496695 551128067 /nfs/dbraw/zinc/12/80/67/551128067.db2.gz YHRAOCLNIMFSRD-UHFFFAOYSA-N 1 0 396.310 2.663 20 0 GFADRO CCC[NH+]1CCC(N(C)S(=O)(=O)c2ccccc2Br)CC1 ZINC000040446533 551135033 /nfs/dbraw/zinc/13/50/33/551135033.db2.gz HKPSIRASVDATTP-UHFFFAOYSA-N 1 0 375.332 2.944 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000041890986 551136770 /nfs/dbraw/zinc/13/67/70/551136770.db2.gz XGINSUGBURADQV-ZDUSSCGKSA-N 1 0 394.313 2.605 20 0 GFADRO Cc1csc(N2CCN(C(=O)NC[C@@H](c3cccs3)[NH+](C)C)CC2)n1 ZINC000043145248 551140929 /nfs/dbraw/zinc/14/09/29/551140929.db2.gz VUYWBGWOIBRDNN-AWEZNQCLSA-N 1 0 379.555 2.648 20 0 GFADRO CCN1CC[NH+](CCCCNC(=O)Nc2ccc(Br)cc2)CC1 ZINC000043133886 551141241 /nfs/dbraw/zinc/14/12/41/551141241.db2.gz RPLIAWUMRJJBGA-UHFFFAOYSA-N 1 0 383.334 2.988 20 0 GFADRO C[C@@H](CNS(=O)(=O)c1sccc1Br)C[NH+]1CCCCC1 ZINC000048445574 551156628 /nfs/dbraw/zinc/15/66/28/551156628.db2.gz GWUXVBQDHKIUFA-NSHDSACASA-N 1 0 381.361 2.911 20 0 GFADRO O=C(c1cccc(I)c1)N1CCC([NH+]2CCCC2)CC1 ZINC000048551261 551157132 /nfs/dbraw/zinc/15/71/32/551157132.db2.gz TVFOZILPXSXNLT-UHFFFAOYSA-N 1 0 384.261 2.992 20 0 GFADRO COc1ccc(Br)cc1CNC(=O)NC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000050060032 551160143 /nfs/dbraw/zinc/16/01/43/551160143.db2.gz NLJAIMUQCUWYSC-CYBMUJFWSA-N 1 0 384.318 2.987 20 0 GFADRO CC[NH2+]CCNS(=O)(=O)c1c(Cl)cc(Br)cc1Cl ZINC000054266209 551168258 /nfs/dbraw/zinc/16/82/58/551168258.db2.gz QVIIDNMQNWWODV-UHFFFAOYSA-N 1 0 376.103 2.644 20 0 GFADRO CCC(=O)N[C@@H](CCSC)C(=O)NC[C@H](c1ccsc1)[NH+](CC)CC ZINC000054776407 551170217 /nfs/dbraw/zinc/17/02/17/551170217.db2.gz GQRRTVJSDVQPOD-JKSUJKDBSA-N 1 0 385.599 2.895 20 0 GFADRO O=S(=O)(c1ccc(F)cc1Br)N1CCC([NH+]2CCCC2)CC1 ZINC000055245874 551171925 /nfs/dbraw/zinc/17/19/25/551171925.db2.gz KYMHZKZLTUBRJD-UHFFFAOYSA-N 1 0 391.306 2.837 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)c1ccc(F)cc1I)C1CC1 ZINC000055719818 551174939 /nfs/dbraw/zinc/17/49/39/551174939.db2.gz JXXRXIFDVOFTNZ-ZDUSSCGKSA-N 1 0 376.213 2.500 20 0 GFADRO C[NH+]1CCN(c2ccc(Br)cc2NC(=O)c2cccnc2)CC1 ZINC000057468768 551180384 /nfs/dbraw/zinc/18/03/84/551180384.db2.gz YQSSDFXKJBKMGH-UHFFFAOYSA-N 1 0 375.270 2.848 20 0 GFADRO CC1CC[NH+](C[C@@H](O)CNC(=O)Nc2ccc(Br)cc2F)CC1 ZINC000067487508 551189413 /nfs/dbraw/zinc/18/94/13/551189413.db2.gz GSAGFWYZKOXLHT-ZDUSSCGKSA-N 1 0 388.281 2.803 20 0 GFADRO Cc1ccc(NC(=O)NC[C@H](O)C[NH+]2CCC(C)CC2)c(Br)c1 ZINC000067487931 551189421 /nfs/dbraw/zinc/18/94/21/551189421.db2.gz XIAUTWBZZYFEPA-AWEZNQCLSA-N 1 0 384.318 2.972 20 0 GFADRO COc1ccc(Cl)c(NC(=O)C(=O)NC[C@@H](c2cccs2)[NH+](C)C)c1 ZINC000068317406 551191534 /nfs/dbraw/zinc/19/15/34/551191534.db2.gz SEMCUHLUHYDRJW-AWEZNQCLSA-N 1 0 381.885 2.768 20 0 GFADRO CC[C@@H](CO)[NH+]1CCN(Cc2nc(-c3cccc(Br)c3)c[nH]2)CC1 ZINC000093739737 551195753 /nfs/dbraw/zinc/19/57/53/551195753.db2.gz UZGSPPRLBHGULO-INIZCTEOSA-N 1 0 393.329 2.728 20 0 GFADRO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)NCc1ccc(Br)cc1 ZINC000106578511 551200501 /nfs/dbraw/zinc/20/05/01/551200501.db2.gz UCQRQIQPUXBUSX-UHFFFAOYSA-N 1 0 397.361 2.617 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)N[C@H](C)CN1CC[NH+](C)CC1 ZINC000106583198 551200709 /nfs/dbraw/zinc/20/07/09/551200709.db2.gz ZPVWYDDKVZSWKO-CQSZACIVSA-N 1 0 383.334 2.823 20 0 GFADRO O=C(c1ccc(I)cc1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000110317734 551203658 /nfs/dbraw/zinc/20/36/58/551203658.db2.gz YVQLTKLHIKMNBK-OAHLLOKOSA-N 1 0 384.261 2.992 20 0 GFADRO O=C(N[C@H]1CC[N@H+](CC2CC2)C1)c1cc(=O)c2cc(Br)ccc2[nH]1 ZINC000112637565 551206819 /nfs/dbraw/zinc/20/68/19/551206819.db2.gz YEIMSCOSIJZXRJ-ZDUSSCGKSA-N 1 0 390.281 2.505 20 0 GFADRO Cc1ccc(C[NH2+]C2CCN(S(=O)(=O)C3CC3)CC2)c(Br)c1 ZINC000119521903 551217294 /nfs/dbraw/zinc/21/72/94/551217294.db2.gz RJWORWLSMNJMHK-UHFFFAOYSA-N 1 0 387.343 2.804 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000120354517 551220128 /nfs/dbraw/zinc/22/01/28/551220128.db2.gz RAIQOFLHCVPERJ-BBRMVZONSA-N 1 0 394.313 2.639 20 0 GFADRO Cc1cccc(NC(=O)C(=O)N[C@H](C)C[NH+]2CCCCC2)c1Br ZINC000120928060 551222844 /nfs/dbraw/zinc/22/28/44/551222844.db2.gz PFILWMLKUBBCCN-CYBMUJFWSA-N 1 0 382.302 2.687 20 0 GFADRO Cc1cccc(NC(=O)C(=O)NC[C@H](C)[NH+]2CCC(C)CC2)c1Br ZINC000120989429 551224332 /nfs/dbraw/zinc/22/43/32/551224332.db2.gz OOSLNYCEQDAMPU-AWEZNQCLSA-N 1 0 396.329 2.933 20 0 GFADRO CN(CCC[NH+](C)C)C(=O)C(=O)Nc1cc(F)ccc1SCC(F)F ZINC000120994011 551224702 /nfs/dbraw/zinc/22/47/02/551224702.db2.gz OOXGKUOVMKCIRB-UHFFFAOYSA-N 1 0 377.432 2.532 20 0 GFADRO Cc1cccc(C(=O)NC[C@@H](C(C)C)[NH+]2CCN(C)CC2)c1Br ZINC000120996350 551224818 /nfs/dbraw/zinc/22/48/18/551224818.db2.gz VMLDNHUCKDQAOI-INIZCTEOSA-N 1 0 382.346 2.759 20 0 GFADRO CS(=O)(=O)NCCC[NH2+][C@H]1CCCc2nc(-c3ccccc3F)sc21 ZINC000121207380 551229659 /nfs/dbraw/zinc/22/96/59/551229659.db2.gz WGPUOILCSYWBEO-AWEZNQCLSA-N 1 0 383.514 2.856 20 0 GFADRO C[N@H+](Cc1ccc(Cl)cc1Br)C1CCN(S(C)(=O)=O)CC1 ZINC000121296971 551231252 /nfs/dbraw/zinc/23/12/52/551231252.db2.gz GSNNMQKVCHBBAV-UHFFFAOYSA-N 1 0 395.750 2.958 20 0 GFADRO O=C(CC[N@@H+]1CCCN(C(=O)C2CC2)CC1)Nc1ccccc1Br ZINC000121595622 551237809 /nfs/dbraw/zinc/23/78/09/551237809.db2.gz LBVUIIITTKETIF-UHFFFAOYSA-N 1 0 394.313 2.722 20 0 GFADRO C[N@H+](C[C@@H](O)COC1CCOCC1)CC1(c2ccc(Br)cc2)CC1 ZINC000121900229 551292068 /nfs/dbraw/zinc/29/20/68/551292068.db2.gz YRLCGPVQCQDNMR-QGZVFWFLSA-N 1 0 398.341 2.969 20 0 GFADRO C[N@@H+]1CCC[C@H]2CN(S(=O)(=O)Cc3ccccc3C(F)(F)F)CC[C@@H]21 ZINC000122396034 551297775 /nfs/dbraw/zinc/29/77/75/551297775.db2.gz PWNFDVRJZYFFLE-BBRMVZONSA-N 1 0 376.444 2.951 20 0 GFADRO C[NH+](C)C[C@@H]1CCN(C(=O)c2cc(I)c(F)cc2F)C1 ZINC000123304811 551304891 /nfs/dbraw/zinc/30/48/91/551304891.db2.gz VEBYGJLEAWHOCX-VIFPVBQESA-N 1 0 394.203 2.593 20 0 GFADRO Cc1ccc(Br)c(NC(=O)C(=O)NCC[N@H+]2CCCC[C@@H]2C)c1 ZINC000123377417 551306005 /nfs/dbraw/zinc/30/60/05/551306005.db2.gz QXQYSNNZDKNYFX-ZDUSSCGKSA-N 1 0 382.302 2.687 20 0 GFADRO Cc1cnc(NC(=O)C(=O)N(CC[NH+](C)C)Cc2cccc(Cl)c2)s1 ZINC000123568667 551307014 /nfs/dbraw/zinc/30/70/14/551307014.db2.gz NAXAHLVMNUQXQH-UHFFFAOYSA-N 1 0 380.901 2.634 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000124171041 551311703 /nfs/dbraw/zinc/31/17/03/551311703.db2.gz RURKUMZUYURIFT-UHFFFAOYSA-N 1 0 383.334 2.905 20 0 GFADRO CN1C[C@H]([NH2+]Cc2ccc(Br)c(Br)c2)CCC1=O ZINC000124569736 551315962 /nfs/dbraw/zinc/31/59/62/551315962.db2.gz NRXQYQDRSUFTBI-SNVBAGLBSA-N 1 0 376.092 2.922 20 0 GFADRO Cc1c(Br)cccc1S(=O)(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000124693488 551316529 /nfs/dbraw/zinc/31/65/29/551316529.db2.gz KHGPICKNXMYNPF-UHFFFAOYSA-N 1 0 387.343 2.910 20 0 GFADRO O=S(=O)(c1cc(C(F)(F)F)ccc1F)N1CCC([NH2+]CC2CC2)CC1 ZINC000124690788 551316690 /nfs/dbraw/zinc/31/66/90/551316690.db2.gz PVMSWCKIHIHNTE-UHFFFAOYSA-N 1 0 380.407 2.997 20 0 GFADRO C[C@@H]1CCC[N@@H+]1C1CCN(C(=O)c2cc(S(C)(=O)=O)ccc2Cl)CC1 ZINC000125501788 551321982 /nfs/dbraw/zinc/32/19/82/551321982.db2.gz JMYGXRQUHWJSTC-CYBMUJFWSA-N 1 0 384.929 2.832 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)c3csc(I)c3)C[C@H]21 ZINC000125705364 551323324 /nfs/dbraw/zinc/32/33/24/551323324.db2.gz ZHVAXWKIXWDAHK-FBIMIBRVSA-N 1 0 376.263 2.552 20 0 GFADRO CC(C)[N@H+](CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl)C1CCCCC1 ZINC000126202158 551327004 /nfs/dbraw/zinc/32/70/04/551327004.db2.gz UJWXKVXVYNJIAQ-UHFFFAOYSA-N 1 0 387.933 2.969 20 0 GFADRO CC(C)[N@H+](C)CC(=O)Nc1ccc(F)c([N-]S(=O)(=O)c2cccs2)c1 ZINC000126313960 551328194 /nfs/dbraw/zinc/32/81/94/551328194.db2.gz RQLLMVQRMFKIHP-UHFFFAOYSA-N 1 0 385.486 2.967 20 0 GFADRO Cc1cc(Br)cc(C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000127674505 551342961 /nfs/dbraw/zinc/34/29/61/551342961.db2.gz JGBNCMIOXAYWOG-HNNXBMFYSA-N 1 0 381.314 2.942 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)NCCC1CC[NH+](C)CC1 ZINC000128952916 551354047 /nfs/dbraw/zinc/35/40/47/551354047.db2.gz PHZHVSDNNOWMFU-UHFFFAOYSA-N 1 0 396.329 2.853 20 0 GFADRO C[NH2+][C@H]1CCN(S(=O)(=O)c2c(Cl)cc(Br)cc2Cl)C1 ZINC000128963843 551354104 /nfs/dbraw/zinc/35/41/04/551354104.db2.gz IRXFUNGJIFDTKA-QMMMGPOBSA-N 1 0 388.114 2.738 20 0 GFADRO Cc1ncc([C@H](C)[NH2+]CCNC(=O)c2ccc(Br)cc2)c(C)n1 ZINC000130127598 551362371 /nfs/dbraw/zinc/36/23/71/551362371.db2.gz UJRHLNFSZSIZST-NSHDSACASA-N 1 0 377.286 2.937 20 0 GFADRO CCC(=O)N[C@H]1CCC[N@H+](CCC(=O)Nc2ccccc2Br)C1 ZINC000130428457 551364953 /nfs/dbraw/zinc/36/49/53/551364953.db2.gz KBAIDKOWDDUHRH-ZDUSSCGKSA-N 1 0 382.302 2.768 20 0 GFADRO CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2cc(C)ccc2Br)C1 ZINC000130613440 551367248 /nfs/dbraw/zinc/36/72/48/551367248.db2.gz ONSVVXCTUYUQNE-ZDUSSCGKSA-N 1 0 382.302 2.544 20 0 GFADRO NC(=O)[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000130668771 551367905 /nfs/dbraw/zinc/36/79/05/551367905.db2.gz FNIKONNGPHELPL-ZWNOBZJWSA-N 1 0 377.794 2.931 20 0 GFADRO Cc1ccc(Br)c(NC(=O)C(=O)N[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)c1 ZINC000130713257 551368476 /nfs/dbraw/zinc/36/84/76/551368476.db2.gz BTXUARHKIMHEFF-KBPBESRZSA-N 1 0 396.329 2.933 20 0 GFADRO C[C@@H](C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)N1CCSCC1 ZINC000130727727 551368729 /nfs/dbraw/zinc/36/87/29/551368729.db2.gz WKQHLJUHPFYYKG-HNNXBMFYSA-N 1 0 381.973 2.858 20 0 GFADRO O=C(NCC[C@H]1CCC[NH2+]1)Nc1cc(F)c(I)c(F)c1 ZINC000415115267 563759748 /nfs/dbraw/zinc/75/97/48/563759748.db2.gz GUGDLDKBAYQXPF-MRVPVSSYSA-N 1 0 395.191 2.833 20 0 GFADRO NC(=O)[C@@H]1CCCC[C@H]1[NH2+]Cc1cc2c(cc1Br)OCCCO2 ZINC000131080235 551371834 /nfs/dbraw/zinc/37/18/34/551371834.db2.gz LSXLZSCDZHTJHW-TZMCWYRMSA-N 1 0 383.286 2.744 20 0 GFADRO C[C@@H](c1cccc(Br)c1)N1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000131305195 551373659 /nfs/dbraw/zinc/37/36/59/551373659.db2.gz YERDQOOZCYBHDJ-SUMWQHHRSA-N 1 0 380.330 2.924 20 0 GFADRO O=C(NCCCC[N@H+]1CCC[C@@H]1CO)c1cc(Cl)ccc1OC(F)F ZINC000131534754 551374790 /nfs/dbraw/zinc/37/47/90/551374790.db2.gz UVJAHUWCUQZIJI-CYBMUJFWSA-N 1 0 376.831 2.908 20 0 GFADRO O=C(NCCCC[N@H+]1CCC[C@@H]1CO)c1cc2ccc(Br)cc2[nH]1 ZINC000131590615 551375508 /nfs/dbraw/zinc/37/55/08/551375508.db2.gz UIUGRSDEFKWIHL-OAHLLOKOSA-N 1 0 394.313 2.897 20 0 GFADRO CCn1nccc1C[NH+]1CCC(C(=O)Nc2ccc(Br)cn2)CC1 ZINC000131821546 551376263 /nfs/dbraw/zinc/37/62/63/551376263.db2.gz VEYYIHHSEYZANZ-UHFFFAOYSA-N 1 0 392.301 2.911 20 0 GFADRO CCOc1ccc(Br)cc1S(=O)(=O)NCC([NH3+])(CC)CC ZINC000133482018 551383470 /nfs/dbraw/zinc/38/34/70/551383470.db2.gz XREJBOVUXGQTSV-UHFFFAOYSA-N 1 0 379.320 2.644 20 0 GFADRO CC[C@@]1(C(=O)N2CCN(C(=O)c3cc(Cl)cc(Cl)c3)CC2)CCC[NH2+]1 ZINC000134394140 551385286 /nfs/dbraw/zinc/38/52/86/551385286.db2.gz KTTIVXRCKIIIQP-SFHVURJKSA-N 1 0 384.307 2.810 20 0 GFADRO CC[NH+](CC)[C@@H]1CCN(C(=O)NCCOc2ncc(Cl)cc2Cl)C1 ZINC000134866735 551386159 /nfs/dbraw/zinc/38/61/59/551386159.db2.gz ALGTTWDRADWVDX-CYBMUJFWSA-N 1 0 375.300 2.893 20 0 GFADRO COc1cc(C(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)cc(OC)c1Br ZINC000142076499 551394891 /nfs/dbraw/zinc/39/48/91/551394891.db2.gz XDZVZIHVXSJLEV-CYBMUJFWSA-N 1 0 383.286 2.777 20 0 GFADRO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(Cl)c(NS(C)(=O)=O)c1 ZINC000149606656 551398976 /nfs/dbraw/zinc/39/89/76/551398976.db2.gz FNRDFPHHBHEABI-ZDUSSCGKSA-N 1 0 387.933 2.706 20 0 GFADRO CCO[C@H](CC[NH+](C)C)CNS(=O)(=O)c1cc(Cl)sc1Cl ZINC000150870694 551403153 /nfs/dbraw/zinc/40/31/53/551403153.db2.gz PVSVBKOCIZEUGA-SECBINFHSA-N 1 0 375.343 2.690 20 0 GFADRO CC[NH+](CC)CCCNC(=O)C(=O)Nc1cc(Cl)ccc1Br ZINC000150949271 551404348 /nfs/dbraw/zinc/40/43/48/551404348.db2.gz LEOGIZPQLALCDQ-UHFFFAOYSA-N 1 0 390.709 2.889 20 0 GFADRO C[NH+](C)C1(CNC(=O)CCCc2ccccc2Br)CCOCC1 ZINC000151024090 551405781 /nfs/dbraw/zinc/40/57/81/551405781.db2.gz QWUBVWORHITKFS-UHFFFAOYSA-N 1 0 383.330 2.999 20 0 GFADRO O=S(=O)(C1CC1)N1CCC([NH2+]Cc2ccc(Cl)c3cccnc23)CC1 ZINC000151209120 551409049 /nfs/dbraw/zinc/40/90/49/551409049.db2.gz CXQOBDKUAHWKTR-UHFFFAOYSA-N 1 0 379.913 2.934 20 0 GFADRO Cc1ccc(NC(=O)N(C)CC[N@H+](C)C2CCN(C)CC2)c(Br)n1 ZINC000151271323 551410470 /nfs/dbraw/zinc/41/04/70/551410470.db2.gz UOAMKSOGPJCAJD-UHFFFAOYSA-N 1 0 398.349 2.642 20 0 GFADRO CCO[C@H](CC[NH+](C)C)CNC(=O)Nc1ccc(Br)c(OC)c1 ZINC000151857464 551422384 /nfs/dbraw/zinc/42/23/84/551422384.db2.gz KQYVHFUSLDNBJE-CYBMUJFWSA-N 1 0 388.306 2.936 20 0 GFADRO Cc1cc(COc2ccc(C(=O)NC(C)(C)C[NH3+])cc2Br)no1 ZINC000151929219 551423715 /nfs/dbraw/zinc/42/37/15/551423715.db2.gz FQTXHIRSJSACGE-UHFFFAOYSA-N 1 0 382.258 2.792 20 0 GFADRO CNC(=O)CN1CCC([NH2+][C@@H]2C[C@@H](C)c3c2cccc3Br)CC1 ZINC000152003854 551424369 /nfs/dbraw/zinc/42/43/69/551424369.db2.gz BVBBRWWGYCLXLD-MLGOLLRUSA-N 1 0 380.330 2.797 20 0 GFADRO CC[NH+](CC)CCN(CC(C)C)C(=O)C(=O)Nc1ccc(Br)nc1 ZINC000152065157 551425719 /nfs/dbraw/zinc/42/57/19/551425719.db2.gz PKQUNDJBGPDYSK-UHFFFAOYSA-N 1 0 399.333 2.609 20 0 GFADRO CS[C@H](CO)[C@@H](C)[NH2+]Cc1cc(Br)c2c(c1)OCCCO2 ZINC000152425045 551432719 /nfs/dbraw/zinc/43/27/19/551432719.db2.gz QVHJJIVZJBNWEM-QMTHXVAHSA-N 1 0 376.316 2.812 20 0 GFADRO COc1ccc(C(=O)N[C@H]2CCN(c3ccccn3)C2)cc1Br ZINC000152563575 551435339 /nfs/dbraw/zinc/43/53/39/551435339.db2.gz IPWDGOIKPIBLHH-ZDUSSCGKSA-N 1 0 376.254 2.861 20 0 GFADRO C[C@H]1CCC[N@@H+]1C1CCN(C(=O)c2cc(Br)cnc2N(C)C)CC1 ZINC000152580431 551436107 /nfs/dbraw/zinc/43/61/07/551436107.db2.gz DRVVRQQAFOTFTC-ZDUSSCGKSA-N 1 0 395.345 2.999 20 0 GFADRO O=C(NCC[C@@H]1CCC[NH2+]C1)c1ccc(-n2cc(Br)cn2)cc1 ZINC000152642789 551437476 /nfs/dbraw/zinc/43/74/76/551437476.db2.gz IBTANYJCRASSLS-ZDUSSCGKSA-N 1 0 377.286 2.754 20 0 GFADRO O=C(C[NH2+]C[C@@H]1CCCO1)NCC1(c2ccc(Br)cc2)CCC1 ZINC000152679699 551437940 /nfs/dbraw/zinc/43/79/40/551437940.db2.gz FPXHBSPQZCCVBE-INIZCTEOSA-N 1 0 381.314 2.756 20 0 GFADRO CCNC(=O)N1CC[C@@H]([NH2+]Cc2cc(Br)ccc2OC(F)F)C1 ZINC000152702213 551438667 /nfs/dbraw/zinc/43/86/67/551438667.db2.gz IFLNZFZQWGUIDL-GFCCVEGCSA-N 1 0 392.244 2.944 20 0 GFADRO C[C@H](O)C[C@@H]1CCCN1CC(=O)Nc1c(F)cc(F)cc1Br ZINC000152759027 551439124 /nfs/dbraw/zinc/43/91/24/551439124.db2.gz VJQUMQNNWDWJGV-ONGXEEELSA-N 1 0 377.229 2.901 20 0 GFADRO CCNC(=O)N1CC[C@H]([NH2+]CC2=Cc3cc(Br)ccc3OC2)C1 ZINC000152769225 551439539 /nfs/dbraw/zinc/43/95/39/551439539.db2.gz DMCQFTCMRHWDLO-HNNXBMFYSA-N 1 0 380.286 2.618 20 0 GFADRO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(C(=O)Nc2cc(Cl)cc(Cl)c2)CC1 ZINC000152968586 551443770 /nfs/dbraw/zinc/44/37/70/551443770.db2.gz PSJBNINWKGPWIG-OAHLLOKOSA-N 1 0 385.295 2.939 20 0 GFADRO C[N@@H+]1CCCC[C@@H]1CN1CCN(C[C@H](O)c2ccccc2Br)CC1 ZINC000153197737 551447784 /nfs/dbraw/zinc/44/77/84/551447784.db2.gz GOJTZTAPSLJLGT-APWZRJJASA-N 1 0 396.373 2.584 20 0 GFADRO C[NH+](C)C[C@@](C)(O)CNC(=O)CCCSc1ccc(Br)cc1 ZINC000153338240 551450743 /nfs/dbraw/zinc/45/07/43/551450743.db2.gz BAFBVIWBWYTGNK-INIZCTEOSA-N 1 0 389.359 2.750 20 0 GFADRO CCc1nc(C(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)nn1-c1c(Cl)cccc1Cl ZINC000153389092 551451587 /nfs/dbraw/zinc/45/15/87/551451587.db2.gz PSMCRHIWBJGLJW-PHIMTYICSA-N 1 0 382.295 2.959 20 0 GFADRO C[NH+](C)[C@@H]1CCCN(C(=O)c2c(F)cccc2I)C1 ZINC000153571129 551455993 /nfs/dbraw/zinc/45/59/93/551455993.db2.gz YPFVWKLKILKCFS-SNVBAGLBSA-N 1 0 376.213 2.597 20 0 GFADRO C[N@H+](CCN1CCOCC1)Cc1ccnc(-c2ccc(Br)cc2)n1 ZINC000153977035 551464671 /nfs/dbraw/zinc/46/46/71/551464671.db2.gz LJEHCPYYEYWDDK-UHFFFAOYSA-N 1 0 391.313 2.670 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)Cc2ccccc2I)C[N@@H+]1C1CC1 ZINC000154068731 551466981 /nfs/dbraw/zinc/46/69/81/551466981.db2.gz SVAXKMPJECJQJX-YPMHNXCESA-N 1 0 384.261 2.575 20 0 GFADRO O=S(=O)(CC[NH2+]C1CC(c2ccc(Cl)cc2)C1)NC[C@H]1CCCCO1 ZINC000154204879 551469650 /nfs/dbraw/zinc/46/96/50/551469650.db2.gz MGEDOLMEKMKOFY-VMWRSERWSA-N 1 0 386.945 2.664 20 0 GFADRO Cc1cc(Br)oc1C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000154630534 551479539 /nfs/dbraw/zinc/47/95/39/551479539.db2.gz ZQKFMXMBDFSERP-YIONKMFJSA-N 1 0 396.329 2.734 20 0 GFADRO CCCNC(=O)C[NH+]1CCC(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000155164216 551493151 /nfs/dbraw/zinc/49/31/51/551493151.db2.gz GKSZEUFJBYHAPA-UHFFFAOYSA-N 1 0 382.302 2.626 20 0 GFADRO CN(C[C@H]1CC[N@H+](C)C1)C(=O)c1cc(I)ccc1Cl ZINC000155345285 551497827 /nfs/dbraw/zinc/49/78/27/551497827.db2.gz AGGXJIBKHPMGHH-JTQLQIEISA-N 1 0 392.668 2.968 20 0 GFADRO C[N@H+](CC(=O)NCCCc1nc(-c2ccncc2)cs1)[C@H]1CCSC1 ZINC000155451181 551499716 /nfs/dbraw/zinc/49/97/16/551499716.db2.gz YIKGVPYASBBGEQ-HNNXBMFYSA-N 1 0 376.551 2.691 20 0 GFADRO C[C@H](CNC(=O)C(=O)Nc1ccc(Cl)c(Br)c1)[N@H+](C)C1CC1 ZINC000155604608 551503526 /nfs/dbraw/zinc/50/35/26/551503526.db2.gz LCJWTCQRYRIONY-SECBINFHSA-N 1 0 388.693 2.640 20 0 GFADRO O=S(=O)(N[C@H]1CC[N@@H+](C2CCCC2)C1)c1cc(F)ccc1Br ZINC000156005075 551512515 /nfs/dbraw/zinc/51/25/15/551512515.db2.gz KLHUEBZYIWOMRJ-LBPRGKRZSA-N 1 0 391.306 2.883 20 0 GFADRO C[C@@H]([NH2+]CCC(=O)N1CCN(c2ncccn2)CC1)c1ccc(Cl)s1 ZINC000156120886 551514535 /nfs/dbraw/zinc/51/45/35/551514535.db2.gz CBMWYJPKGDRABL-CYBMUJFWSA-N 1 0 379.917 2.581 20 0 GFADRO C[C@@H]1CN(C[C@H](O)C[NH2+]C2(c3cccc(Br)c3)CCC2)C[C@H](C)O1 ZINC000156226651 551517897 /nfs/dbraw/zinc/51/78/97/551517897.db2.gz KULJPHCAQOSVPB-RVKKMQEKSA-N 1 0 397.357 2.888 20 0 GFADRO CC(=O)N1CC[C@@H](C[N@H+](C)CCC(=O)Nc2ccc(Br)cc2)C1 ZINC000156315337 551520119 /nfs/dbraw/zinc/52/01/19/551520119.db2.gz OECJMZUPUPGGEZ-AWEZNQCLSA-N 1 0 382.302 2.578 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)[C@@H]2CC(=O)N(c3cc(Cl)cc(Cl)c3)C2)C1 ZINC000156576864 551525260 /nfs/dbraw/zinc/52/52/60/551525260.db2.gz QPBFVUIQFRQNES-RWMBFGLXSA-N 1 0 384.307 2.932 20 0 GFADRO CCS(=O)(=O)N(C)CCC[NH2+][C@@H]1CCc2c1cc(Br)cc2F ZINC000156883484 551529782 /nfs/dbraw/zinc/52/97/82/551529782.db2.gz DDDREBCKOVIAMG-OAHLLOKOSA-N 1 0 393.322 2.837 20 0 GFADRO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NCc1ccc(Br)s1 ZINC000157232202 551535314 /nfs/dbraw/zinc/53/53/14/551535314.db2.gz QYMGIWJDQARJSM-CQSZACIVSA-N 1 0 375.332 2.920 20 0 GFADRO [NH3+]C[C@H]1CCC[C@H]1NC(=O)CCc1nc(-c2cc(Br)cs2)no1 ZINC000157590255 551539876 /nfs/dbraw/zinc/53/98/76/551539876.db2.gz XQVXXQNGTWVZJW-MWLCHTKSSA-N 1 0 399.314 2.737 20 0 GFADRO C[NH+]1CCC(CCNC(=O)c2cc(=O)[nH]c3ccc(Br)cc32)CC1 ZINC000157998603 551545714 /nfs/dbraw/zinc/54/57/14/551545714.db2.gz UNBLZYVAYWJXOH-UHFFFAOYSA-N 1 0 392.297 2.752 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)N[C@](C)(C[NH3+])C(C)C ZINC000158172888 551547875 /nfs/dbraw/zinc/54/78/75/551547875.db2.gz AKOSCTRRASNYHC-RDTXWAMCSA-N 1 0 386.583 2.841 20 0 GFADRO C[C@@H]1CCC[N@@H+]1C1CCN(S(=O)(=O)c2c(Cl)nc3ccccn32)CC1 ZINC000158564105 551553804 /nfs/dbraw/zinc/55/38/04/551553804.db2.gz ZNLZOKIZEUMZHH-CYBMUJFWSA-N 1 0 382.917 2.625 20 0 GFADRO CCCOc1c(Br)cc(CN2CCC(C(N)=O)CC2)cc1OC ZINC000158632020 551554509 /nfs/dbraw/zinc/55/45/09/551554509.db2.gz QLWUQZOGFARJCQ-UHFFFAOYSA-N 1 0 385.302 2.944 20 0 GFADRO COC(=O)c1cc(Cl)ccc1S(=O)(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000158839450 551557191 /nfs/dbraw/zinc/55/71/91/551557191.db2.gz YXPREJCGPWYQCV-OAHLLOKOSA-N 1 0 390.933 2.771 20 0 GFADRO CC[NH+]1CCC(CCNS(=O)(=O)c2ccc(Cl)cc2C(=O)OC)CC1 ZINC000158897014 551558481 /nfs/dbraw/zinc/55/84/81/551558481.db2.gz IULVYZUJCMIYHE-UHFFFAOYSA-N 1 0 388.917 2.527 20 0 GFADRO O=C(NCC[C@@H]1CC[NH2+]C1)c1cc(Br)ccc1Br ZINC000160947835 551588143 /nfs/dbraw/zinc/58/81/43/551588143.db2.gz MOZJIAWUGSZUDR-VIFPVBQESA-N 1 0 376.092 2.941 20 0 GFADRO C[C@H](Cc1ccccc1Br)NC(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000161591600 551596505 /nfs/dbraw/zinc/59/65/05/551596505.db2.gz WNDDRXFIVDMKPJ-CYBMUJFWSA-N 1 0 394.317 2.960 20 0 GFADRO O=C(N[C@H](c1cccc(F)c1)c1cccc(Br)c1)[C@@H]1C[NH2+]CCO1 ZINC000161790870 551598321 /nfs/dbraw/zinc/59/83/21/551598321.db2.gz HGOJWSMTJKKBLP-IRXDYDNUSA-N 1 0 393.256 2.782 20 0 GFADRO Cc1c(C(=O)N(C)CC[C@H]([NH3+])C(C)C)nnn1-c1cccc(Br)c1 ZINC000161923167 551600598 /nfs/dbraw/zinc/60/05/98/551600598.db2.gz QJZUAIYRDFTQPA-HNNXBMFYSA-N 1 0 394.317 2.784 20 0 GFADRO [NH3+][C@H]1CCC[C@@H](NC(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CCCC2)C1 ZINC000161988811 551601818 /nfs/dbraw/zinc/60/18/18/551601818.db2.gz ZTPKOFJBCFIBAC-LSDHHAIUSA-N 1 0 384.929 2.813 20 0 GFADRO C[N@H+](C[C@H](O)COc1ccc(Cl)cc1Br)C[C@@H]1CCC[C@@H]1O ZINC000162503461 551609274 /nfs/dbraw/zinc/60/92/74/551609274.db2.gz JHQCZORMEIWIND-WHOFXGATSA-N 1 0 392.721 2.935 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)Nc1cc(F)ccc1Br ZINC000162640151 551610851 /nfs/dbraw/zinc/61/08/51/551610851.db2.gz ZMLDROSFZPIXDS-LLVKDONJSA-N 1 0 386.265 2.517 20 0 GFADRO CCCC[C@H](C[NH3+])NC(=O)c1ccc(OC)cc1I ZINC000162747416 551612012 /nfs/dbraw/zinc/61/20/12/551612012.db2.gz IQUTYHMYBZBQCX-SNVBAGLBSA-N 1 0 376.238 2.547 20 0 GFADRO Cc1cccc(NC(=O)C(=O)N(CC[NH+](C)C)CC(C)C)c1Br ZINC000162776550 551612713 /nfs/dbraw/zinc/61/27/13/551612713.db2.gz RHBOFQGIOZATHO-UHFFFAOYSA-N 1 0 384.318 2.742 20 0 GFADRO C[NH+](C)CCn1nnnc1SCc1cc(Br)cc2cccnc21 ZINC000162859447 551613817 /nfs/dbraw/zinc/61/38/17/551613817.db2.gz CMXQNCJLMHLTFZ-UHFFFAOYSA-N 1 0 393.314 2.838 20 0 GFADRO C[C@@H](NC(=O)CC1([NH3+])CCC1)c1nc(-c2ccc(Br)cc2)no1 ZINC000163134966 551616948 /nfs/dbraw/zinc/61/69/48/551616948.db2.gz XTLPYSCBMFEABL-SNVBAGLBSA-N 1 0 379.258 2.948 20 0 GFADRO C[N@H+](CC(=O)NCc1cccc(COCC(F)(F)F)c1)[C@@H]1CCSC1 ZINC000164793710 551626978 /nfs/dbraw/zinc/62/69/78/551626978.db2.gz UGBNCXVEWLIZGI-OAHLLOKOSA-N 1 0 376.444 2.819 20 0 GFADRO Cc1cc(N2CCC[C@@H]([NH2+]Cc3cnn(C)c3)C2=O)ccc1Br ZINC000164775722 551627379 /nfs/dbraw/zinc/62/73/79/551627379.db2.gz QZQHDQQECYVVTR-MRXNPFEDSA-N 1 0 377.286 2.776 20 0 GFADRO C[C@@H](C(=O)NC[C@@H](O)COc1ccccc1Br)[NH+]1CCCCCC1 ZINC000166409869 551631809 /nfs/dbraw/zinc/63/18/09/551631809.db2.gz QKHVUVZSTHUEST-LSDHHAIUSA-N 1 0 399.329 2.570 20 0 GFADRO O=C(C[C@H]1C[NH2+]CCO1)Nc1ccc(Oc2cccc(Br)c2)nc1 ZINC000166922497 551632462 /nfs/dbraw/zinc/63/24/62/551632462.db2.gz UGLKEKPWVWCYRF-HNNXBMFYSA-N 1 0 392.253 2.953 20 0 GFADRO Cc1cc(N2CCC[C@@H]([NH2+]Cc3cncn3C)C2=O)ccc1Br ZINC000167182971 551633090 /nfs/dbraw/zinc/63/30/90/551633090.db2.gz RVZBLCJYEUBHSV-MRXNPFEDSA-N 1 0 377.286 2.776 20 0 GFADRO COc1ccc(C)cc1[C@@H](C)[NH2+]C1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000168075548 551634064 /nfs/dbraw/zinc/63/40/64/551634064.db2.gz XCJXZJUQZCDFMG-GFCCVEGCSA-N 1 0 380.432 2.968 20 0 GFADRO C[C@@H](CCNC(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1)[S@@](C)=O ZINC000169133220 551634792 /nfs/dbraw/zinc/63/47/92/551634792.db2.gz JFTUBTUMKAIVQB-MQNRADLISA-N 1 0 383.583 2.557 20 0 GFADRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+]C2CCN(c3cccs3)CC2)cc1 ZINC000168466451 551634899 /nfs/dbraw/zinc/63/48/99/551634899.db2.gz LFZRCUVYZUDCRG-AWEZNQCLSA-N 1 0 379.551 2.976 20 0 GFADRO CC[NH+]1CCN(CCC(=O)N[C@H]2CCc3c2cccc3Br)CC1 ZINC000170809452 551640070 /nfs/dbraw/zinc/64/00/70/551640070.db2.gz USKUJJGJCABENR-KRWDZBQOSA-N 1 0 380.330 2.580 20 0 GFADRO O=C(c1cnn(-c2cccc(Br)c2)c1)N1CCC[N@@H+](C2CC2)CC1 ZINC000170944455 551643445 /nfs/dbraw/zinc/64/34/45/551643445.db2.gz AEUHHSYEMANACI-UHFFFAOYSA-N 1 0 389.297 2.945 20 0 GFADRO COCCC[NH+]1CCC(NC(=O)[C@H](C)Oc2ccc(Br)cc2)CC1 ZINC000171125261 551647945 /nfs/dbraw/zinc/64/79/45/551647945.db2.gz JFVWEXGHBVZGDZ-AWEZNQCLSA-N 1 0 399.329 2.834 20 0 GFADRO C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000171440393 551655849 /nfs/dbraw/zinc/65/58/49/551655849.db2.gz UXRLTJFQDQCPDQ-STQMWFEESA-N 1 0 384.307 2.808 20 0 GFADRO C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000171440398 551655863 /nfs/dbraw/zinc/65/58/63/551655863.db2.gz UXRLTJFQDQCPDQ-QWHCGFSZSA-N 1 0 384.307 2.808 20 0 GFADRO C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2ccccc2SC(F)(F)F)C1 ZINC000172293461 551675397 /nfs/dbraw/zinc/67/53/97/551675397.db2.gz PEKBAVDENQDYAX-NSHDSACASA-N 1 0 375.416 2.647 20 0 GFADRO CC[C@H](Cc1cccc(Br)c1)C(=O)NCCC[NH+]1CCC(O)CC1 ZINC000172344337 551677172 /nfs/dbraw/zinc/67/71/72/551677172.db2.gz NOQLFEJKMODWJS-MRXNPFEDSA-N 1 0 397.357 2.981 20 0 GFADRO NC(=O)[C@H]1CCC[C@@H]([NH2+]Cc2nc(-c3ccc(Br)cc3)c[nH]2)C1 ZINC000172634035 551683511 /nfs/dbraw/zinc/68/35/11/551683511.db2.gz FCXIYTCUTLOMTB-GXTWGEPZSA-N 1 0 377.286 2.973 20 0 GFADRO Ic1ccc2ncnc(N3CC[C@@H]([NH+]4CC=CC4)C3)c2c1 ZINC000172773054 551687129 /nfs/dbraw/zinc/68/71/29/551687129.db2.gz XSVKUPACQBGSEL-CYBMUJFWSA-N 1 0 392.244 2.685 20 0 GFADRO COC[C@@]1(CNC(=O)Nc2ccc(Br)c(Cl)c2)CCC[NH2+]1 ZINC000415335835 563768285 /nfs/dbraw/zinc/76/82/85/563768285.db2.gz ZKPJXYLTEUHCQQ-AWEZNQCLSA-N 1 0 376.682 2.993 20 0 GFADRO CCC([NH3+])(CC)CNC(=O)C(=O)Nc1ccc(Cl)cc1Br ZINC000415476866 563778353 /nfs/dbraw/zinc/77/83/53/563778353.db2.gz UXYGWTPNKZEQIK-UHFFFAOYSA-N 1 0 376.682 2.675 20 0 GFADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)COc3cc(Cl)cc(Cl)c3)C2)CC1 ZINC000173109671 552078122 /nfs/dbraw/zinc/07/81/22/552078122.db2.gz UYHSCUSLEAGRLM-MRXNPFEDSA-N 1 0 386.323 2.611 20 0 GFADRO CC[NH+]1CCC(CCNC(=O)C(=O)Nc2cccc(Br)c2C)CC1 ZINC000173198667 552078990 /nfs/dbraw/zinc/07/89/90/552078990.db2.gz UOMHSZKTYOWMMZ-UHFFFAOYSA-N 1 0 396.329 2.934 20 0 GFADRO CC[NH+]1CCC(CCNC(=O)C(=O)Nc2ccc(Br)cc2C)CC1 ZINC000173194828 552079296 /nfs/dbraw/zinc/07/92/96/552079296.db2.gz RMIPIMQTVQFUDT-UHFFFAOYSA-N 1 0 396.329 2.934 20 0 GFADRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)S(=O)(=O)c1cc(Br)ccc1F ZINC000173244843 552080724 /nfs/dbraw/zinc/08/07/24/552080724.db2.gz UVVRXGZNSNQCIT-GWCFXTLKSA-N 1 0 379.295 2.549 20 0 GFADRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)S(=O)(=O)c1cc(Br)c(F)cc1F ZINC000173248411 552081014 /nfs/dbraw/zinc/08/10/14/552081014.db2.gz RVMQJCZFFWZURV-RNCFNFMXSA-N 1 0 397.285 2.688 20 0 GFADRO C[C@@H]([NH2+]C[C@H](c1cccs1)N(C)C)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000173296058 552082138 /nfs/dbraw/zinc/08/21/38/552082138.db2.gz ONPVRSPTPNCFKI-RHSMWYFYSA-N 1 0 381.567 2.952 20 0 GFADRO COCC[N@H+](C)CCCNC(=O)c1sc(C)c(Br)c1OC ZINC000173472418 552085991 /nfs/dbraw/zinc/08/59/91/552085991.db2.gz ZCGCLIFATXJDTC-UHFFFAOYSA-N 1 0 379.320 2.526 20 0 GFADRO O=S(=O)(c1ccc(Cl)nc1Cl)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000173630849 552089090 /nfs/dbraw/zinc/08/90/90/552089090.db2.gz SYBFKNAWBOVNPJ-LBPRGKRZSA-N 1 0 378.325 2.885 20 0 GFADRO C[C@@H](NC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1)c1cc(F)c(Cl)cc1Cl ZINC000173656345 552090280 /nfs/dbraw/zinc/09/02/80/552090280.db2.gz RHKSUCKMWQDDOG-MNOVXSKESA-N 1 0 390.286 2.720 20 0 GFADRO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2ccc(Cl)c(NS(C)(=O)=O)c2)C1 ZINC000173804246 552092083 /nfs/dbraw/zinc/09/20/83/552092083.db2.gz SJIVZPBDVZBTJG-CYBMUJFWSA-N 1 0 387.933 2.515 20 0 GFADRO COc1ccc(Br)cc1CC(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000173877585 552095348 /nfs/dbraw/zinc/09/53/48/552095348.db2.gz JYRHLKRXNGIDOF-CQSZACIVSA-N 1 0 381.314 2.945 20 0 GFADRO CCC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2ccc(Br)cc2)C1 ZINC000173950260 552095710 /nfs/dbraw/zinc/09/57/10/552095710.db2.gz PJCNRVGMAVUOFI-ZDUSSCGKSA-N 1 0 375.332 2.802 20 0 GFADRO C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000174469857 552104946 /nfs/dbraw/zinc/10/49/46/552104946.db2.gz MAKJFFISIURZFV-WMLDXEAASA-N 1 0 380.330 2.749 20 0 GFADRO CCOc1cc(C[NH2+][C@](C)(CCO)COC)cc(Br)c1OC ZINC000175853836 552130453 /nfs/dbraw/zinc/13/04/53/552130453.db2.gz XTEHJRXBDZWVPU-MRXNPFEDSA-N 1 0 376.291 2.734 20 0 GFADRO COc1cc(NC(=O)N2CC[NH+](C3CCOCC3)CC2)ccc1Br ZINC000176096861 552135466 /nfs/dbraw/zinc/13/54/66/552135466.db2.gz PPRIBGGNKTWEJM-UHFFFAOYSA-N 1 0 398.301 2.786 20 0 GFADRO CNC(=O)[C@@H](C)C[N@H+](C)[C@@H](C)C(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000176360099 552139383 /nfs/dbraw/zinc/13/93/83/552139383.db2.gz UYPPTIYZBRIKMV-UWVGGRQHSA-N 1 0 379.810 3.000 20 0 GFADRO CC[NH+]1CCN([C@H](C)CNC(=O)c2cc(Cl)ccc2OC(F)F)CC1 ZINC000176378383 552139813 /nfs/dbraw/zinc/13/98/13/552139813.db2.gz DKTHEBLYMKIABC-GFCCVEGCSA-N 1 0 375.847 2.697 20 0 GFADRO O=C(c1c(F)cc(Br)cc1F)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000176542243 552140900 /nfs/dbraw/zinc/14/09/00/552140900.db2.gz GKAPFLLQKITCFO-NSHDSACASA-N 1 0 389.240 2.522 20 0 GFADRO COc1cccc([C@@H](CNc2ncc(Br)c(OC)n2)[NH+](C)C)c1 ZINC000176813408 552146331 /nfs/dbraw/zinc/14/63/31/552146331.db2.gz BMVBYRVCMQFVHS-CQSZACIVSA-N 1 0 381.274 2.971 20 0 GFADRO Cc1ccc(C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)cc1Br ZINC000176819270 552147018 /nfs/dbraw/zinc/14/70/18/552147018.db2.gz VESLBGDHVBJYPO-OAHLLOKOSA-N 1 0 381.314 2.942 20 0 GFADRO C[C@@H]([NH2+]C[C@H](O)c1ccccc1Cl)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000177363392 552154018 /nfs/dbraw/zinc/15/40/18/552154018.db2.gz BGZPOZMTPQRNDG-ACJLOTCBSA-N 1 0 382.913 2.975 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)NCCOc2cccc(Br)c2)C[N@@H+]1C1CC1 ZINC000177666123 552156288 /nfs/dbraw/zinc/15/62/88/552156288.db2.gz YKGWETBGRWNCBQ-TZMCWYRMSA-N 1 0 382.302 2.752 20 0 GFADRO CC(C)OCCOC[C@@H](O)C[N@H+](C)Cc1cc(F)cc(Br)c1 ZINC000177733063 552158045 /nfs/dbraw/zinc/15/80/45/552158045.db2.gz HXIXTZRYMWSOJR-INIZCTEOSA-N 1 0 378.282 2.823 20 0 GFADRO CC[N@H+](C)C[C@H]1CCN(C(=O)NCc2cc(Br)ccc2OC)C1 ZINC000177867428 552160653 /nfs/dbraw/zinc/16/06/53/552160653.db2.gz JQAZZPVVEFIURA-CYBMUJFWSA-N 1 0 384.318 2.941 20 0 GFADRO CCS(=O)(=O)N(C)CCC[NH2+][C@H](C)c1cc(Br)ccc1F ZINC000178073078 552163884 /nfs/dbraw/zinc/16/38/84/552163884.db2.gz LXXWMKIIGGNPGA-LLVKDONJSA-N 1 0 381.311 2.910 20 0 GFADRO C[C@H](C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccc(Br)s1 ZINC000178112617 552164184 /nfs/dbraw/zinc/16/41/84/552164184.db2.gz FQILTZHVARVKKH-STQMWFEESA-N 1 0 387.343 2.795 20 0 GFADRO C[C@H]([NH3+])c1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc(Cl)s2)cc1 ZINC000178206234 552167055 /nfs/dbraw/zinc/16/70/55/552167055.db2.gz VFKZCBRIHCZNDF-JTQLQIEISA-N 1 0 387.914 2.680 20 0 GFADRO [NH3+][C@@H]1CCCCCC[C@H]1C(=O)NCC(=O)Nc1ccc(Br)cc1 ZINC000178436102 552170033 /nfs/dbraw/zinc/17/00/33/552170033.db2.gz PQGZBRTWXVUHJP-HUUCEWRRSA-N 1 0 382.302 2.802 20 0 GFADRO C[C@@H]([NH2+]C1CCN(S(=O)(=O)C(F)(F)F)CC1)c1ccc2c(c1)CCO2 ZINC000178421399 552170257 /nfs/dbraw/zinc/17/02/57/552170257.db2.gz MWMWNTUVRDOELC-LLVKDONJSA-N 1 0 378.416 2.586 20 0 GFADRO C[C@H]([NH2+]C1CCN(S(=O)(=O)C(F)(F)F)CC1)c1ccc2c(c1)CCO2 ZINC000178421385 552170324 /nfs/dbraw/zinc/17/03/24/552170324.db2.gz MWMWNTUVRDOELC-NSHDSACASA-N 1 0 378.416 2.586 20 0 GFADRO C[C@H]([NH2+]C[C@@H](O)COc1ccc(I)cc1)C1CCC1 ZINC000178519386 552171903 /nfs/dbraw/zinc/17/19/03/552171903.db2.gz YAJMYRCLZHJCAC-SMDDNHRTSA-N 1 0 375.250 2.809 20 0 GFADRO C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)C[C@H]2CCC[NH2+]2)CC1 ZINC000178821895 552176779 /nfs/dbraw/zinc/17/67/79/552176779.db2.gz AAOLUSKZLWSABU-RHSMWYFYSA-N 1 0 380.330 2.796 20 0 GFADRO C[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)C1 ZINC000178965820 552180889 /nfs/dbraw/zinc/18/08/89/552180889.db2.gz IHWULGKOVRNVII-MLGOLLRUSA-N 1 0 384.307 2.666 20 0 GFADRO CC(=O)Nc1ccc(CN[C@H](C(N)=O)c2cccc(Br)c2)cc1 ZINC000179216562 552187610 /nfs/dbraw/zinc/18/76/10/552187610.db2.gz QVZHOLDZTHXZLY-INIZCTEOSA-N 1 0 376.254 2.724 20 0 GFADRO O[C@H](C[NH2+]Cc1cccc2nccn21)COc1ccccc1Br ZINC000179429733 552192997 /nfs/dbraw/zinc/19/29/97/552192997.db2.gz ZDKMRCASFRXBAT-CQSZACIVSA-N 1 0 376.254 2.626 20 0 GFADRO Cc1nc(Br)ccc1NC(=O)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000179720434 552201103 /nfs/dbraw/zinc/20/11/03/552201103.db2.gz UQAARXAUCKTBOY-CYBMUJFWSA-N 1 0 399.333 2.574 20 0 GFADRO COc1cc(NC(=O)N2CC[N@@H+]3CCC[C@H]3C2)cc(OC)c1Br ZINC000179905180 552206539 /nfs/dbraw/zinc/20/65/39/552206539.db2.gz WJMDAHQHKCPLGI-LBPRGKRZSA-N 1 0 384.274 2.778 20 0 GFADRO CCn1ccnc1[C@@H](NC[C@@H](C)O)c1ccc(I)cc1 ZINC000180156184 552215397 /nfs/dbraw/zinc/21/53/97/552215397.db2.gz NGTKGCYWPLJJEL-RISCZKNCSA-N 1 0 385.249 2.567 20 0 GFADRO O=C(c1ccc(Br)cn1)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000180286294 552220856 /nfs/dbraw/zinc/22/08/56/552220856.db2.gz DUERZPQQAQTVGF-UHFFFAOYSA-N 1 0 396.329 2.809 20 0 GFADRO O=C(CSCc1cscn1)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000180289037 552221335 /nfs/dbraw/zinc/22/13/35/552221335.db2.gz CRISVKOOBGZGEL-UHFFFAOYSA-N 1 0 383.583 2.727 20 0 GFADRO CCC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)C1 ZINC000180358873 552224154 /nfs/dbraw/zinc/22/41/54/552224154.db2.gz HWWJLGDSBPJPBF-VIFPVBQESA-N 1 0 386.386 2.735 20 0 GFADRO C[C@H](CN1CCOCC1)[NH2+][C@H](C)c1cc2c(cc1Br)OCCO2 ZINC000180484663 552227306 /nfs/dbraw/zinc/22/73/06/552227306.db2.gz YPRAIJXFFDPOGF-CHWSQXEVSA-N 1 0 385.302 2.592 20 0 GFADRO CCOCCO[C@H]1CCN(Cc2cc(Br)c3c(c2)OCCO3)C1 ZINC000180788827 552235582 /nfs/dbraw/zinc/23/55/82/552235582.db2.gz BGXBUXVCGFYMGH-AWEZNQCLSA-N 1 0 386.286 2.848 20 0 GFADRO C[C@@H]([NH2+]CC(=O)Nc1ccc(I)cc1)c1ccncc1 ZINC000181061178 552244710 /nfs/dbraw/zinc/24/47/10/552244710.db2.gz KVFCZPXJYPIKMW-LLVKDONJSA-N 1 0 381.217 2.976 20 0 GFADRO CC(C)CS(=O)(=O)N1CCC([NH2+]Cc2ccc(Br)cc2)CC1 ZINC000181113607 552247110 /nfs/dbraw/zinc/24/71/10/552247110.db2.gz MYLKBGQBQUZNJX-UHFFFAOYSA-N 1 0 389.359 2.989 20 0 GFADRO C[C@@H](NC(=O)C[NH2+][C@@H](C)c1ccc(Br)cc1)C(=O)N1CCCCC1 ZINC000181129616 552247533 /nfs/dbraw/zinc/24/75/33/552247533.db2.gz GYWOVQKRMHCTIV-UONOGXRCSA-N 1 0 396.329 2.617 20 0 GFADRO COCc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1ccc(F)c(Br)c1)CC2 ZINC000181300174 552252966 /nfs/dbraw/zinc/25/29/66/552252966.db2.gz UWBUHOAEXDDNMO-JQWIXIFHSA-N 1 0 383.265 2.992 20 0 GFADRO CS(=O)(=O)[C@@H]1CCCC[C@H]1[NH2+]CCNc1cccc(Br)c1 ZINC000181357420 552253888 /nfs/dbraw/zinc/25/38/88/552253888.db2.gz PWZGNRYERISHIR-HUUCEWRRSA-N 1 0 375.332 2.806 20 0 GFADRO Cc1nc(Br)ccc1NC(=O)NCCCC[N@@H+]1CCC[C@H]1CO ZINC000181352163 552254198 /nfs/dbraw/zinc/25/41/98/552254198.db2.gz IEJGFCVBPCBDDX-ZDUSSCGKSA-N 1 0 385.306 2.511 20 0 GFADRO C[C@@H]([NH2+]C[C@H](O)COc1ccc(I)cc1)c1cccnc1 ZINC000181409712 552256039 /nfs/dbraw/zinc/25/60/39/552256039.db2.gz QXPZTWKARNKJOG-DOMZBBRYSA-N 1 0 398.244 2.777 20 0 GFADRO CC[NH+](CC)[C@H](CNC(=O)C(=O)Nc1cccnc1Cl)c1ccsc1 ZINC000181443284 552256893 /nfs/dbraw/zinc/25/68/93/552256893.db2.gz VAORLCOFGOYUAP-CQSZACIVSA-N 1 0 380.901 2.934 20 0 GFADRO CC(C)COC[C@H](O)C[NH2+]C(C)(C)COc1ncccc1Br ZINC000181513483 552259085 /nfs/dbraw/zinc/25/90/85/552259085.db2.gz YUKRKUISHYBNDK-CYBMUJFWSA-N 1 0 375.307 2.625 20 0 GFADRO COC[C@H](Cc1ccccc1)[NH2+]CCNS(=O)(=O)c1ccc(Cl)s1 ZINC000181618850 552262474 /nfs/dbraw/zinc/26/24/74/552262474.db2.gz SXKCGZRUWJCCSW-AWEZNQCLSA-N 1 0 388.942 2.527 20 0 GFADRO CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]C[C@H](O)CS(=O)(=O)c1cccs1 ZINC000181640099 552263576 /nfs/dbraw/zinc/26/35/76/552263576.db2.gz WNDVFQXNXUXBOD-IRXDYDNUSA-N 1 0 385.526 2.879 20 0 GFADRO CCc1nc2c(s1)[C@@H]([NH2+]C[C@H](O)CS(=O)(=O)c1cccs1)CCC2 ZINC000181642432 552264069 /nfs/dbraw/zinc/26/40/69/552264069.db2.gz VTAOYVFTZPLRDN-RYUDHWBXSA-N 1 0 386.564 2.569 20 0 GFADRO Cc1oncc1C[NH+]1CCC(C(=O)Nc2ccc(Br)cn2)CC1 ZINC000181751224 552266924 /nfs/dbraw/zinc/26/69/24/552266924.db2.gz RLNNDMXWOQHNKK-UHFFFAOYSA-N 1 0 379.258 2.991 20 0 GFADRO O=C(Nc1ccccc1C[NH+]1CCC(O)CC1)c1cc(Br)c[nH]1 ZINC000182057354 552273889 /nfs/dbraw/zinc/27/38/89/552273889.db2.gz ATYGTXNXJPGMMV-UHFFFAOYSA-N 1 0 378.270 2.986 20 0 GFADRO COc1ccc([C@@H](C)[NH2+]C[C@H]2CCCN2S(C)(=O)=O)c(Br)c1 ZINC000182069470 552274274 /nfs/dbraw/zinc/27/42/74/552274274.db2.gz NQMDHSUWHGHWMX-VXGBXAGGSA-N 1 0 391.331 2.532 20 0 GFADRO C[C@@H](CCNC(=O)C(=O)Nc1ccc(Br)cc1)[NH+]1CCCCC1 ZINC000182144712 552276588 /nfs/dbraw/zinc/27/65/88/552276588.db2.gz GIFRWNJZDFOCHQ-ZDUSSCGKSA-N 1 0 382.302 2.768 20 0 GFADRO CC[NH+]1CCN([C@H]2CCN(Cc3ccc(Br)cc3OC)C2)CC1 ZINC000182167524 552276856 /nfs/dbraw/zinc/27/68/56/552276856.db2.gz PUBDVRFXKFXMFW-KRWDZBQOSA-N 1 0 382.346 2.670 20 0 GFADRO CCOC(=O)COc1c(Br)cc(C)cc1C[NH2+]C[C@@](C)(O)CC ZINC000182254051 552279443 /nfs/dbraw/zinc/27/94/43/552279443.db2.gz DPNMQORPJURZST-KRWDZBQOSA-N 1 0 388.302 2.950 20 0 GFADRO Cc1cc(NC(=O)NC[C@H](C(C)C)[NH+]2CCN(C)CC2)cnc1Br ZINC000182423861 552283589 /nfs/dbraw/zinc/28/35/89/552283589.db2.gz KOPUSGVVBWGHTA-OAHLLOKOSA-N 1 0 398.349 2.546 20 0 GFADRO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1cccc(Br)c1Cl ZINC000182841500 552294508 /nfs/dbraw/zinc/29/45/08/552294508.db2.gz BIZCJLNMHJCHGX-NSHDSACASA-N 1 0 375.694 2.679 20 0 GFADRO C[C@H]([NH2+]CC(=O)N1CCC(C(=O)N2CCCC2)CC1)c1ccc(Cl)s1 ZINC000182983121 552297839 /nfs/dbraw/zinc/29/78/39/552297839.db2.gz HUOYZWZCCNGTEL-ZDUSSCGKSA-N 1 0 383.945 2.913 20 0 GFADRO CC[C@H](C)[C@H](C)[NH2+]CCC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1Cl ZINC000183046138 552299371 /nfs/dbraw/zinc/29/93/71/552299371.db2.gz QVZCTSQJCCCPNT-STQMWFEESA-N 1 0 389.949 2.943 20 0 GFADRO C[NH+](C)CCOc1cc(C(=O)N2CCc3cc(Br)ccc32)ccn1 ZINC000183123651 552300780 /nfs/dbraw/zinc/30/07/80/552300780.db2.gz KOXOVDHEJULQOX-UHFFFAOYSA-N 1 0 390.281 2.987 20 0 GFADRO C[S@](=O)C[C@@H]([NH2+]C[C@H](O)COCc1ccccc1Cl)c1ccccc1 ZINC000183167202 552302157 /nfs/dbraw/zinc/30/21/57/552302157.db2.gz RWXJQXHJZKDJHV-MVIPISOYSA-N 1 0 381.925 2.927 20 0 GFADRO CS(=O)(=O)[C@H]1CCCC[C@@H]1[NH2+]CCOc1ccc(Br)cc1 ZINC000183193329 552302862 /nfs/dbraw/zinc/30/28/62/552302862.db2.gz UIORJBUICPNJIK-GJZGRUSLSA-N 1 0 376.316 2.773 20 0 GFADRO C[C@H](CCNS(=O)(=O)c1cc2c(cc1Cl)OCCO2)[NH+]1CCCCC1 ZINC000183290069 552304967 /nfs/dbraw/zinc/30/49/67/552304967.db2.gz AEVJNTKBKKUOHL-CYBMUJFWSA-N 1 0 388.917 2.654 20 0 GFADRO Cc1csc([C@@H]([NH2+]C[C@](C)(O)c2ccc(S(C)(=O)=O)cc2)C2CC2)n1 ZINC000183497234 552311370 /nfs/dbraw/zinc/31/13/70/552311370.db2.gz XRFFJVLQNOFKDY-WMZOPIPTSA-N 1 0 380.535 2.803 20 0 GFADRO COC(=O)[C@@H](c1cccc(Cl)c1Cl)N1CC[NH+](CC(C)(C)O)CC1 ZINC000183564316 552313402 /nfs/dbraw/zinc/31/34/02/552313402.db2.gz DJWZIBHXTORVAF-OAHLLOKOSA-N 1 0 375.296 2.596 20 0 GFADRO COC(=O)c1cccc(OCC[NH2+][C@H](CO)c2cccc(Br)c2)c1 ZINC000183908405 552321936 /nfs/dbraw/zinc/32/19/36/552321936.db2.gz JRBRQSPNUSHFJY-QGZVFWFLSA-N 1 0 394.265 2.938 20 0 GFADRO O=C(c1cccc(Br)c1Cl)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000184138655 552328069 /nfs/dbraw/zinc/32/80/69/552328069.db2.gz NJFSFEVFSNXBQG-LBPRGKRZSA-N 1 0 387.705 2.897 20 0 GFADRO CN1CC[NH+](CCC(C)(C)NC(=O)Cc2ccc(Br)cc2)CC1 ZINC000184200999 552329058 /nfs/dbraw/zinc/32/90/58/552329058.db2.gz CDHABOAMZOQXRG-UHFFFAOYSA-N 1 0 382.346 2.524 20 0 GFADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)Nc1cc(Br)ccc1F ZINC000184330439 552332584 /nfs/dbraw/zinc/33/25/84/552332584.db2.gz ITFZFOAEDWPCPI-GFCCVEGCSA-N 1 0 387.297 2.736 20 0 GFADRO CC[C@@H](CO)[NH+]1CCN(C(=O)Nc2cc(F)c(Br)cc2C)CC1 ZINC000184812575 552344486 /nfs/dbraw/zinc/34/44/86/552344486.db2.gz KFBSQSCRFYWCDJ-LBPRGKRZSA-N 1 0 388.281 2.817 20 0 GFADRO Cc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H]2CCCC[C@@H]2C(N)=O)c(Br)c1 ZINC000184812325 552344585 /nfs/dbraw/zinc/34/45/85/552344585.db2.gz PWDKKXFYYOXDBD-MBNYWOFBSA-N 1 0 382.302 2.718 20 0 GFADRO NC(=O)[C@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1ccc(Br)cc1Cl ZINC000184803353 552344648 /nfs/dbraw/zinc/34/46/48/552344648.db2.gz WMOVBAADCUFTSD-CMPLNLGQSA-N 1 0 388.693 2.675 20 0 GFADRO C[C@@H](CC(=O)Nc1cccc(Br)c1)[N@H+](C)[C@@H](C)C[S@](C)=O ZINC000185227765 552357444 /nfs/dbraw/zinc/35/74/44/552357444.db2.gz PZURYRQDGCKPFF-OABGYEMISA-N 1 0 375.332 2.865 20 0 GFADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)CCc1ccc(C)cc1Br ZINC000185293766 552360473 /nfs/dbraw/zinc/36/04/73/552360473.db2.gz YDWDHQNBWGEIQZ-INIZCTEOSA-N 1 0 383.330 2.917 20 0 GFADRO CC[N@H+](CCO)CCNC(=O)Nc1cc(Br)c(F)cc1Cl ZINC000185443741 552363412 /nfs/dbraw/zinc/36/34/12/552363412.db2.gz HXMBKBOLYCKIOZ-UHFFFAOYSA-N 1 0 382.661 2.677 20 0 GFADRO Cc1cccc(NC(=O)C(=O)NC2CC[NH+](CC3CC3)CC2)c1Br ZINC000185502444 552364301 /nfs/dbraw/zinc/36/43/01/552364301.db2.gz FUDZNPLCSTWNSI-UHFFFAOYSA-N 1 0 394.313 2.687 20 0 GFADRO C[NH+](C)CCC1CCN(S(=O)(=O)c2ccc(Br)cc2F)CC1 ZINC000185692726 552369135 /nfs/dbraw/zinc/36/91/35/552369135.db2.gz HUIJBZZZWRHKAS-UHFFFAOYSA-N 1 0 393.322 2.941 20 0 GFADRO CSC[C@H](CCO)[NH2+]Cc1cc(Br)cc(Br)c1N ZINC000185839207 552372185 /nfs/dbraw/zinc/37/21/85/552372185.db2.gz CMIMEXBSVSPXLY-JTQLQIEISA-N 1 0 398.164 2.997 20 0 GFADRO Cc1ccc(CCC(=O)NCC2CC[NH+](CCO)CC2)c(Br)c1 ZINC000185845585 552372223 /nfs/dbraw/zinc/37/22/23/552372223.db2.gz VUKFNVYPLBJWPF-UHFFFAOYSA-N 1 0 383.330 2.511 20 0 GFADRO NC(=O)[C@@H](Cc1ccc(Cl)cc1)[NH2+]CC1(N2CCSCC2)CCCC1 ZINC000185890109 552373401 /nfs/dbraw/zinc/37/34/01/552373401.db2.gz YRAJFFLOWCRNTJ-QGZVFWFLSA-N 1 0 381.973 2.688 20 0 GFADRO COc1cc(Br)cc(S(=O)(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)c1 ZINC000185907417 552373848 /nfs/dbraw/zinc/37/38/48/552373848.db2.gz RMZWHWMCHSJAGT-QWHCGFSZSA-N 1 0 391.331 2.609 20 0 GFADRO CN(CCC[NH+](C)C)C(=O)N[C@H]1CCN(c2ccccc2Br)C1 ZINC000186170844 552381305 /nfs/dbraw/zinc/38/13/05/552381305.db2.gz VNNGYJSFUVYQSI-AWEZNQCLSA-N 1 0 383.334 2.621 20 0 GFADRO O=S1(=O)CCN(C2CC[NH+](CC3CCC(C(F)(F)F)CC3)CC2)CC1 ZINC000186467671 552388523 /nfs/dbraw/zinc/38/85/23/552388523.db2.gz VJYQZGYCXOQCMD-UHFFFAOYSA-N 1 0 382.492 2.550 20 0 GFADRO C[NH+]1CCC(C(=O)N2CCO[C@H](c3ccc(F)c(Br)c3)C2)CC1 ZINC000186519284 552390286 /nfs/dbraw/zinc/39/02/86/552390286.db2.gz MXCCQBRBQPDVBG-INIZCTEOSA-N 1 0 385.277 2.830 20 0 GFADRO C[C@@H]([NH2+]C[C@H](O)COc1cccc(Cl)c1Cl)C1CCS(=O)(=O)CC1 ZINC000187064061 552406096 /nfs/dbraw/zinc/40/60/96/552406096.db2.gz QWCNTYZHHPNIDI-YPMHNXCESA-N 1 0 396.336 2.536 20 0 GFADRO O=C(NCC[NH+]1CCCCC1)C(=O)Nc1cc(Cl)cc(C(F)(F)F)c1 ZINC000187241882 552410285 /nfs/dbraw/zinc/41/02/85/552410285.db2.gz TWCXOHWLCRYGNS-UHFFFAOYSA-N 1 0 377.794 2.899 20 0 GFADRO C[C@H](NC(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1)c1cccc(Br)c1 ZINC000187378636 552413715 /nfs/dbraw/zinc/41/37/15/552413715.db2.gz WBPDIUKECPEIOL-KBPBESRZSA-N 1 0 398.345 2.997 20 0 GFADRO O=C(NC1(Cc2ccc(Br)cc2)CCCCC1)[C@H]1C[NH2+]CCO1 ZINC000187629136 552420891 /nfs/dbraw/zinc/42/08/91/552420891.db2.gz QCUANSNRNRNTQG-MRXNPFEDSA-N 1 0 381.314 2.799 20 0 GFADRO C[C@H]1CN(Cc2coc(-c3ccc(Br)cc3)n2)CC[N@@H+]1CCO ZINC000187709925 552422685 /nfs/dbraw/zinc/42/26/85/552422685.db2.gz VHOLWWZTELQPNS-ZDUSSCGKSA-N 1 0 380.286 2.603 20 0 GFADRO C[C@H]1CC[C@@](CO)([N@H+](C)CC(=O)N(C)Cc2ccccc2Br)C1 ZINC000188034756 552432371 /nfs/dbraw/zinc/43/23/71/552432371.db2.gz IWCGHAPVDNZLJP-KBXCAEBGSA-N 1 0 383.330 2.890 20 0 GFADRO Cc1cc(Br)cc(NC(=O)C(=O)NCC[NH+]2CCC(C)CC2)c1 ZINC000188058413 552432804 /nfs/dbraw/zinc/43/28/04/552432804.db2.gz FWFSEUDLADUHFX-UHFFFAOYSA-N 1 0 382.302 2.544 20 0 GFADRO Cc1cc(Br)cc(NC(=O)C(=O)NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)c1 ZINC000188058183 552433071 /nfs/dbraw/zinc/43/30/71/552433071.db2.gz AKGFUXMPJRAOCU-GXTWGEPZSA-N 1 0 396.329 2.933 20 0 GFADRO Cc1cc(Br)cc(NC(=O)C(=O)NC[C@@H](C)C[NH+]2CCCC2)c1 ZINC000188072885 552433563 /nfs/dbraw/zinc/43/35/63/552433563.db2.gz KSWANLLFULXOQW-CYBMUJFWSA-N 1 0 382.302 2.544 20 0 GFADRO CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2cc(C)cc(Br)c2)C1 ZINC000188077686 552433863 /nfs/dbraw/zinc/43/38/63/552433863.db2.gz OEKFDDXEQRFABC-ZDUSSCGKSA-N 1 0 382.302 2.544 20 0 GFADRO Cc1cc(Br)cc(NC(=O)C(=O)NCCC2CC[NH+](C)CC2)c1 ZINC000188102504 552435013 /nfs/dbraw/zinc/43/50/13/552435013.db2.gz HNMLBBNAVVQGBC-UHFFFAOYSA-N 1 0 382.302 2.544 20 0 GFADRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)Nc1cc(C)cc(Br)c1 ZINC000188099498 552435233 /nfs/dbraw/zinc/43/52/33/552435233.db2.gz UKFKRBARNPOJSP-OAHLLOKOSA-N 1 0 382.302 2.687 20 0 GFADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2cc(C)cc(Br)c2)C1 ZINC000188111711 552435681 /nfs/dbraw/zinc/43/56/81/552435681.db2.gz GBQPAPADDJQVFH-AWEZNQCLSA-N 1 0 396.329 2.886 20 0 GFADRO CC[C@H](C)NC(=O)[C@H](C)[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000188712841 552453346 /nfs/dbraw/zinc/45/33/46/552453346.db2.gz YCMIQTQNIFCELX-KBPBESRZSA-N 1 0 398.345 2.679 20 0 GFADRO C[C@@H]1CN(C(=O)C2(c3ccc(Br)cc3)CC2)CC[N@@H+]1CC(C)(C)O ZINC000188709637 552453538 /nfs/dbraw/zinc/45/35/38/552453538.db2.gz QBAIZTIVAHJXRN-CQSZACIVSA-N 1 0 395.341 2.784 20 0 GFADRO C[C@](O)(C[NH2+]Cc1ccc(Br)cc1N1CCOCC1)c1ccco1 ZINC000188745340 552454140 /nfs/dbraw/zinc/45/41/40/552454140.db2.gz DSCNFLVQYXRYDB-SFHVURJKSA-N 1 0 395.297 2.876 20 0 GFADRO CCN(CCC[NH+](C)C)C(=O)NCCC(=O)Nc1ccc(Br)cc1 ZINC000188867434 552456810 /nfs/dbraw/zinc/45/68/10/552456810.db2.gz PJMBFWFPJDXQNT-UHFFFAOYSA-N 1 0 399.333 2.761 20 0 GFADRO Cn1cncc1CNc1ccc(CN2CC[NH+](C)CC2)c(Br)c1 ZINC000188884434 552458125 /nfs/dbraw/zinc/45/81/25/552458125.db2.gz KWBCAZFWQITUMI-UHFFFAOYSA-N 1 0 378.318 2.542 20 0 GFADRO CC[N@H+](C[C@H](O)COc1cccc(C(F)(F)F)c1)C[C@H](O)C(F)(F)F ZINC000189429055 552471375 /nfs/dbraw/zinc/47/13/75/552471375.db2.gz NLMPLBPJKNFGMG-AAEUAGOBSA-N 1 0 375.309 2.690 20 0 GFADRO CCS[C@H]1CCCC[C@@H]1[NH2+]CCOc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000189483985 552472574 /nfs/dbraw/zinc/47/25/74/552472574.db2.gz ZOJDBJSFOZGXAI-ROUUACIJSA-N 1 0 386.583 2.970 20 0 GFADRO CCOc1ccc(NC(=O)N[C@@H](C)CN2CC[NH+](C)CC2)cc1Br ZINC000189498132 552473277 /nfs/dbraw/zinc/47/32/77/552473277.db2.gz VALQWWWGDCSCMZ-ZDUSSCGKSA-N 1 0 399.333 2.605 20 0 GFADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C2(c3ccccc3Br)CC2)C1 ZINC000189622741 552476299 /nfs/dbraw/zinc/47/62/99/552476299.db2.gz HNRVPDSJAXDJKW-OAHLLOKOSA-N 1 0 395.341 2.954 20 0 GFADRO Cc1cc(F)c(Br)cc1S(=O)(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000189841935 552480884 /nfs/dbraw/zinc/48/08/84/552480884.db2.gz LXMFAWJHNKNAQY-NSHDSACASA-N 1 0 391.306 2.659 20 0 GFADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)Nc3ccc(Cl)c(S(C)(=O)=O)c3)CC[C@@H]21 ZINC000189906321 552482889 /nfs/dbraw/zinc/48/28/89/552482889.db2.gz MDICIFPUPQWATK-DOMZBBRYSA-N 1 0 385.917 2.692 20 0 GFADRO Cc1cc(F)c(Br)cc1S(=O)(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000189937529 552483566 /nfs/dbraw/zinc/48/35/66/552483566.db2.gz LLMRZMORDZQLRP-LBPRGKRZSA-N 1 0 391.306 2.755 20 0 GFADRO Cc1c(Br)cccc1NC(=O)C(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000190011475 552485032 /nfs/dbraw/zinc/48/50/32/552485032.db2.gz ZQGHYVVCWICSOY-CQSZACIVSA-N 1 0 394.313 2.783 20 0 GFADRO CC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2cc(Br)c(F)cc2C)C1 ZINC000190032718 552485553 /nfs/dbraw/zinc/48/55/53/552485553.db2.gz BDBUMBCIBXBRPN-LBPRGKRZSA-N 1 0 393.322 2.859 20 0 GFADRO C[N@@H+]1CCC[C@@H]2CN(S(=O)(=O)c3ccc(CC(F)(F)F)cc3)CC[C@@H]21 ZINC000190077867 552486657 /nfs/dbraw/zinc/48/66/57/552486657.db2.gz XUEIGDUQWJFROH-ZBFHGGJFSA-N 1 0 376.444 2.896 20 0 GFADRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)Nc1ccc(F)cc1Br ZINC000190130591 552488360 /nfs/dbraw/zinc/48/83/60/552488360.db2.gz QWTZYEVBLMKVKV-LLVKDONJSA-N 1 0 388.281 2.897 20 0 GFADRO COc1cc(Br)ccc1[C@@H](C)[NH2+]C[C@@H](O)COC1CCOCC1 ZINC000190458454 552497126 /nfs/dbraw/zinc/49/71/26/552497126.db2.gz VOCYONYCWBLLRM-TZMCWYRMSA-N 1 0 388.302 2.665 20 0 GFADRO Cc1cccc(CNC(=O)N2CC[NH+](C3CCOCC3)CC2)c1Br ZINC000190471502 552497582 /nfs/dbraw/zinc/49/75/82/552497582.db2.gz XSDSSAQYXJVVQZ-UHFFFAOYSA-N 1 0 396.329 2.764 20 0 GFADRO C[NH+](C)CCOc1cc(CNC(=O)c2cccc(Br)c2F)ccn1 ZINC000190531613 552499948 /nfs/dbraw/zinc/49/99/48/552499948.db2.gz HQDVELZGDGXUSD-UHFFFAOYSA-N 1 0 396.260 2.854 20 0 GFADRO C[NH+](C)[C@@H]1CCCN(S(=O)(=O)c2cc(Cl)c(Br)cc2F)C1 ZINC000190718756 552507036 /nfs/dbraw/zinc/50/70/36/552507036.db2.gz KJJGXXBYIOBYDX-SECBINFHSA-N 1 0 399.713 2.956 20 0 GFADRO C[C@@H]1C[N@H+](CC(=O)Nc2ccc(Br)c(C(F)(F)F)c2)C[C@H]1CO ZINC000190864991 552511554 /nfs/dbraw/zinc/51/15/54/552511554.db2.gz SRJITDQKZKXYQJ-ZJUUUORDSA-N 1 0 395.219 2.967 20 0 GFADRO Cc1cc(Br)cc(NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000190868085 552511580 /nfs/dbraw/zinc/51/15/80/552511580.db2.gz CZWABTMPIOWUNJ-IUODEOHRSA-N 1 0 382.302 2.637 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1Br ZINC000190871410 552511788 /nfs/dbraw/zinc/51/17/88/552511788.db2.gz AVRONSPSVHPBGL-ZIAGYGMSSA-N 1 0 396.329 2.946 20 0 GFADRO CC[NH+](CC)[C@@H]1CCN(C(=O)Cc2ccc(I)cc2)C1 ZINC000190956118 552514557 /nfs/dbraw/zinc/51/45/57/552514557.db2.gz AYTBYJZQETXJES-OAHLLOKOSA-N 1 0 386.277 2.776 20 0 GFADRO C[NH+]1CCN(Cc2ccc(NC(=O)C3CCOCC3)cc2Br)CC1 ZINC000191084443 552518769 /nfs/dbraw/zinc/51/87/69/552518769.db2.gz VIMRIBYCAZDELT-UHFFFAOYSA-N 1 0 396.329 2.562 20 0 GFADRO COCCN(CC(=O)Nc1ccccc1Br)Cc1cccnc1 ZINC000191238612 552522235 /nfs/dbraw/zinc/52/22/35/552522235.db2.gz KMWIQEYYCJJUQQ-UHFFFAOYSA-N 1 0 378.270 2.931 20 0 GFADRO C[C@@H]1CC(O)C[C@H](C)N1Cc1csc(-c2ccc(S(C)(=O)=O)cc2)n1 ZINC000191275011 552523201 /nfs/dbraw/zinc/52/32/01/552523201.db2.gz CEJUQEARXYHCMV-OCZCAGDBSA-N 1 0 380.535 2.947 20 0 GFADRO CCCN(CCC[NH+](C)C)C(=O)Nc1ccc(NS(C)(=O)=O)c(Cl)c1 ZINC000191434025 552527945 /nfs/dbraw/zinc/52/79/45/552527945.db2.gz XLPPOZWTCXAZSN-UHFFFAOYSA-N 1 0 390.937 2.907 20 0 GFADRO O=S1(=O)CCCN1c1ccc(C[NH2+]Cc2ccc(Br)o2)cc1 ZINC000191600893 552533053 /nfs/dbraw/zinc/53/30/53/552533053.db2.gz YAFPKQRCGZLNFD-UHFFFAOYSA-N 1 0 385.283 2.872 20 0 GFADRO C[NH+](C)[C@@H]1CCCN(Cc2ccc(Br)cc2N2CCOCC2)C1 ZINC000191638713 552534090 /nfs/dbraw/zinc/53/40/90/552534090.db2.gz KGHNKKKBPKRTEJ-QGZVFWFLSA-N 1 0 382.346 2.812 20 0 GFADRO O=S(=O)(CCO)c1ccc(C[NH2+]Cc2cnc(-c3cccs3)s2)cc1 ZINC000191843727 552539538 /nfs/dbraw/zinc/53/95/38/552539538.db2.gz UQVBHSBROGUPHZ-UHFFFAOYSA-N 1 0 394.543 2.927 20 0 GFADRO O=S(=O)(NCC[NH2+][C@H]1CCO[C@H]1c1ccc(Cl)cc1)c1ccccc1 ZINC000192051945 552548008 /nfs/dbraw/zinc/54/80/08/552548008.db2.gz UJJSAQOIVQCVPZ-ROUUACIJSA-N 1 0 380.897 2.738 20 0 GFADRO CS(=O)(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(Br)c(Cl)c1 ZINC000192204563 552555788 /nfs/dbraw/zinc/55/57/88/552555788.db2.gz XRGAMRWSTKZIHN-LLVKDONJSA-N 1 0 381.723 2.616 20 0 GFADRO CS(=O)(=O)N[C@H]1CCC[C@@H]1C[NH2+]Cc1ccc(Br)c(Cl)c1 ZINC000192197882 552555792 /nfs/dbraw/zinc/55/57/92/552555792.db2.gz JXEMXMOZIMGPAB-RISCZKNCSA-N 1 0 395.750 2.910 20 0 GFADRO CC(C)[C@](C)([NH2+]CC(=O)N[C@@H](C)C(=O)N(C)C)c1ccc(Br)cc1 ZINC000192373048 552561379 /nfs/dbraw/zinc/56/13/79/552561379.db2.gz ILCMREGZAPATFY-UGSOOPFHSA-N 1 0 398.345 2.503 20 0 GFADRO Cc1ccc(-n2nc(Br)cc2C(=O)N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)cc1 ZINC000192523929 552566101 /nfs/dbraw/zinc/56/61/01/552566101.db2.gz CQVRZCLWZOUQIP-OKILXGFUSA-N 1 0 389.297 2.577 20 0 GFADRO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)Nc1ccc(Br)c(C)c1F ZINC000192562246 552566580 /nfs/dbraw/zinc/56/65/80/552566580.db2.gz FKJRMTXQCGXANR-SNVBAGLBSA-N 1 0 388.281 2.682 20 0 GFADRO C[C@@H](O)C[N@@H+]1CCN(CC(=O)N[C@@H](C)c2ccc(Cl)c(Cl)c2)[C@H](C)C1 ZINC000192818881 552974532 /nfs/dbraw/zinc/97/45/32/552974532.db2.gz CGFIMSLFJZNLGD-MCIONIFRSA-N 1 0 388.339 2.558 20 0 GFADRO Cc1ccc(NC(=O)C[NH2+][C@H](C)c2ccc(S(N)(=O)=O)cc2)c(Cl)c1 ZINC000192843311 552975603 /nfs/dbraw/zinc/97/56/03/552975603.db2.gz MWJSJSNEEPFAIH-GFCCVEGCSA-N 1 0 381.885 2.585 20 0 GFADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)NCc1ccc(Cl)c(C)c1 ZINC000192840214 552975757 /nfs/dbraw/zinc/97/57/57/552975757.db2.gz XDILWFVMELCFHV-UHFFFAOYSA-N 1 0 384.933 2.502 20 0 GFADRO C[C@@H]([NH2+]CC(=O)NC(=O)NCc1ccco1)c1ccc(Br)cc1 ZINC000192850220 552976237 /nfs/dbraw/zinc/97/62/37/552976237.db2.gz XZISTMAJYJLGFO-LLVKDONJSA-N 1 0 380.242 2.719 20 0 GFADRO CC(C)C[NH+]1CCN(CC(=O)Nc2c(F)cc(F)cc2Br)CC1 ZINC000193147725 552984716 /nfs/dbraw/zinc/98/47/16/552984716.db2.gz MOWLPQZJYJOHLI-UHFFFAOYSA-N 1 0 390.272 2.939 20 0 GFADRO CC(C)CS(=O)(=O)N1CCC([NH2+]Cc2cnc(-c3ccco3)s2)CC1 ZINC000193204926 552986098 /nfs/dbraw/zinc/98/60/98/552986098.db2.gz GSFJFXUNJIRTSY-UHFFFAOYSA-N 1 0 383.539 2.943 20 0 GFADRO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)c1cc(Cl)ccc1I ZINC000193651510 552999301 /nfs/dbraw/zinc/99/93/01/552999301.db2.gz HRAATDDRSBZVNI-QPUJVOFHSA-N 1 0 378.641 2.815 20 0 GFADRO [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)c1cc(F)c(Cl)cc1Cl ZINC000193688583 553000515 /nfs/dbraw/zinc/00/05/15/553000515.db2.gz VWEPJUTWZGKCEP-JTQLQIEISA-N 1 0 376.259 2.592 20 0 GFADRO CS(=O)(=O)N1CCC(C[NH2+][C@H]2CCc3ccc(Br)cc32)CC1 ZINC000193980007 553008642 /nfs/dbraw/zinc/00/86/42/553008642.db2.gz BYWWRLZSKNDEJG-INIZCTEOSA-N 1 0 387.343 2.698 20 0 GFADRO CC(C)[C@H]([NH2+][C@@H]1CCc2ccc(Br)cc21)C(=O)N1CCOCC1 ZINC000193989330 553008703 /nfs/dbraw/zinc/00/87/03/553008703.db2.gz JHTLSWPLZPEIKE-SJORKVTESA-N 1 0 381.314 2.909 20 0 GFADRO O=C([C@H]1Cc2cc(Br)ccc2O1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000194205160 553014337 /nfs/dbraw/zinc/01/43/37/553014337.db2.gz KFAJDUASVYMTQY-DOTOQJQBSA-N 1 0 379.298 2.839 20 0 GFADRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2Cc3cc(Br)ccc3O2)C1 ZINC000194199070 553014479 /nfs/dbraw/zinc/01/44/79/553014479.db2.gz QMGJMKNDOSUKFY-GUYCJALGSA-N 1 0 381.314 2.989 20 0 GFADRO O=C(CC[N@@H+](Cc1cccc(Br)c1)CC1CC1)N1CCOCC1 ZINC000194269014 553016503 /nfs/dbraw/zinc/01/65/03/553016503.db2.gz IXNLCAVOUIHPOZ-UHFFFAOYSA-N 1 0 381.314 2.910 20 0 GFADRO C[NH2+]C[C@@H]1CCCN(C(=O)c2ccc(F)cc2I)C1 ZINC000224004892 553057747 /nfs/dbraw/zinc/05/77/47/553057747.db2.gz IFPRERSTVOELDS-JTQLQIEISA-N 1 0 376.213 2.502 20 0 GFADRO O=C(NC[C@H]1CCCC[NH2+]1)c1cc(Cl)ccc1I ZINC000226232024 553060784 /nfs/dbraw/zinc/06/07/84/553060784.db2.gz SPHMUFGQJWJLNZ-SNVBAGLBSA-N 1 0 378.641 2.817 20 0 GFADRO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)c1cc(Cl)ccc1I ZINC000226269933 553061384 /nfs/dbraw/zinc/06/13/84/553061384.db2.gz BUQMKNPRTOYCJA-QPUJVOFHSA-N 1 0 378.641 2.802 20 0 GFADRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)c1ccc(I)c(Cl)c1 ZINC000228768931 553063800 /nfs/dbraw/zinc/06/38/00/553063800.db2.gz VQANAOOUWJAWPR-BDAKNGLRSA-N 1 0 378.641 2.754 20 0 GFADRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)c1ccc(F)cc1I ZINC000234349551 553067300 /nfs/dbraw/zinc/06/73/00/553067300.db2.gz MZXWPEMNMYBJLU-LLVKDONJSA-N 1 0 376.213 2.597 20 0 GFADRO CC[C@@H](C)[NH+]1CCN(C(=O)c2cc(I)ccc2O)CC1 ZINC000233850772 553067361 /nfs/dbraw/zinc/06/73/61/553067361.db2.gz HNSBRAJCTYKHIC-LLVKDONJSA-N 1 0 388.249 2.553 20 0 GFADRO O=C(Nc1ccccc1Br)C1CCN(C(=O)C2CC[NH2+]CC2)CC1 ZINC000236582175 553069143 /nfs/dbraw/zinc/06/91/43/553069143.db2.gz NAAKHYWBISPUGW-UHFFFAOYSA-N 1 0 394.313 2.626 20 0 GFADRO CC(=O)N1CCC([NH2+]C[C@@H]2CCN(c3ccc(Br)cc3)C2)CC1 ZINC000236608385 553069885 /nfs/dbraw/zinc/06/98/85/553069885.db2.gz DKSLQUQJPILVIQ-HNNXBMFYSA-N 1 0 380.330 2.876 20 0 GFADRO O=C(N[C@@H]1CCC[NH2+]C1)c1nn(-c2cccc(Br)c2)c2c1CCC2 ZINC000236677266 553070282 /nfs/dbraw/zinc/07/02/82/553070282.db2.gz NHNQYEHMRHNLSA-CYBMUJFWSA-N 1 0 389.297 2.605 20 0 GFADRO O=C(C[C@@H]1CSCC[NH2+]1)Nc1ccnn1Cc1ccc(Br)cc1 ZINC000236712376 553070761 /nfs/dbraw/zinc/07/07/61/553070761.db2.gz QKXOLHMEEIRFDB-CQSZACIVSA-N 1 0 395.326 2.728 20 0 GFADRO CC(=O)N[C@H](CC(=O)N[C@@H]1CCCC[C@@H]1C[NH3+])c1ccc(Br)cc1 ZINC000236728330 553070773 /nfs/dbraw/zinc/07/07/73/553070773.db2.gz RAOVSMJBDXCKNK-DJIMGWMZSA-N 1 0 396.329 2.650 20 0 GFADRO CC(C)C[C@@H]([NH3+])C(=O)NCC1(c2cccc(Br)c2)CCOCC1 ZINC000236709930 553071126 /nfs/dbraw/zinc/07/11/26/553071126.db2.gz BTDIQAPXJVNKEP-MRXNPFEDSA-N 1 0 383.330 2.987 20 0 GFADRO CC(=O)N[C@@H](CC(=O)N(C)CC[C@H]([NH3+])C(C)C)c1ccc(Br)cc1 ZINC000236745615 553071202 /nfs/dbraw/zinc/07/12/02/553071202.db2.gz JPLQLIJWBVIFKG-IRXDYDNUSA-N 1 0 398.345 2.848 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)N1CCC[C@H]1C[NH2+]C ZINC000236825349 553071503 /nfs/dbraw/zinc/07/15/03/553071503.db2.gz ZLHAGIYUWZNPGX-GJZGRUSLSA-N 1 0 384.567 2.561 20 0 GFADRO CC(C)C[C@H](C[NH3+])NC(=O)CCC[S@](=O)c1ccc(Br)cc1 ZINC000236835262 553072062 /nfs/dbraw/zinc/07/20/62/553072062.db2.gz YGVHWCWYIPEVJK-PEBXRYMYSA-N 1 0 389.359 2.827 20 0 GFADRO CCOc1cc(Br)c(CC(=O)N[C@H]2CCC[NH2+]C2)cc1OCC ZINC000236879940 553072634 /nfs/dbraw/zinc/07/26/34/553072634.db2.gz ZCJAKCNVFXWUQX-ZDUSSCGKSA-N 1 0 385.302 2.657 20 0 GFADRO CCCC[C@H](C[NH3+])NC(=O)c1cc(S(=O)(=O)NC(C)(C)C)ccc1Cl ZINC000236928214 553072922 /nfs/dbraw/zinc/07/29/22/553072922.db2.gz ZVISHNWIISQUCM-GFCCVEGCSA-N 1 0 389.949 2.664 20 0 GFADRO C[NH+](C)CCn1cc(NCc2cc(Br)c3c(c2)OCCCO3)cn1 ZINC000237006017 553073794 /nfs/dbraw/zinc/07/37/94/553073794.db2.gz RNDUMJVQAYOGIO-UHFFFAOYSA-N 1 0 395.301 2.981 20 0 GFADRO CCOc1cc(Br)c(CC(=O)NC[C@H](C)C[NH2+]C)cc1OCC ZINC000237029217 553073813 /nfs/dbraw/zinc/07/38/13/553073813.db2.gz PAVGRGWLQBNJPV-GFCCVEGCSA-N 1 0 387.318 2.761 20 0 GFADRO COc1cc(Br)ccc1C(=O)NCCC[NH2+]Cc1cccnc1 ZINC000237079517 553074316 /nfs/dbraw/zinc/07/43/16/553074316.db2.gz WUCKEGMJBJJVMH-UHFFFAOYSA-N 1 0 378.270 2.762 20 0 GFADRO C[NH2+]C[C@H]1CCCN1C(=O)CCc1nc(-c2cc(Br)cs2)no1 ZINC000237223702 553075940 /nfs/dbraw/zinc/07/59/40/553075940.db2.gz NRQBTZBKRILALZ-LLVKDONJSA-N 1 0 399.314 2.704 20 0 GFADRO C[NH2+]C[C@@H]1CCCN(C(=O)/C=C/c2cc(Br)c3c(c2)OCCO3)C1 ZINC000237244246 553075963 /nfs/dbraw/zinc/07/59/63/553075963.db2.gz PQTQGJVSXWSEJJ-NNTXTVRGSA-N 1 0 395.297 2.692 20 0 GFADRO COc1ccc(C(=O)N2CCCC[C@H]2[C@H](C)[NH3+])c(I)c1 ZINC000237350921 553077297 /nfs/dbraw/zinc/07/72/97/553077297.db2.gz VSTADDZQZWFIFP-HZMBPMFUSA-N 1 0 388.249 2.642 20 0 GFADRO Cc1ccc(O[C@@H](C)C(=O)N2CCC(OCCC[NH3+])CC2)c(Br)c1 ZINC000237603826 553079854 /nfs/dbraw/zinc/07/98/54/553079854.db2.gz KTMONIIXRIHJSL-AWEZNQCLSA-N 1 0 399.329 2.881 20 0 GFADRO O=C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1CCN(c2cc(Cl)ccc2Cl)C1=O ZINC000237695003 553080652 /nfs/dbraw/zinc/08/06/52/553080652.db2.gz AYXRVDDMGAKFRC-PIGZVRMJSA-N 1 0 382.291 2.746 20 0 GFADRO Cc1ccc(S(=O)(=O)NCCC[NH2+]Cc2cccnc2)c(Br)c1 ZINC000237740972 553081306 /nfs/dbraw/zinc/08/13/06/553081306.db2.gz RVYXSPZNLXIGPQ-UHFFFAOYSA-N 1 0 398.326 2.611 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)[C@]1(C)CCC[NH2+]C1 ZINC000237787515 553081676 /nfs/dbraw/zinc/08/16/76/553081676.db2.gz UBJUDXDLCHFRFP-QGZVFWFLSA-N 1 0 382.302 2.592 20 0 GFADRO O=C(C1CC[NH2+]CC1)N1CCC[C@H]1c1ccc(I)cc1 ZINC000237812946 553082225 /nfs/dbraw/zinc/08/22/25/553082225.db2.gz FYDLSOZOJCUUOY-HNNXBMFYSA-N 1 0 384.261 2.954 20 0 GFADRO Cc1c(C(=O)Nc2ccc(Br)c(C)c2)nnn1C1CC[NH2+]CC1 ZINC000237844052 553082969 /nfs/dbraw/zinc/08/29/69/553082969.db2.gz YDOAKMHFAOZCCI-UHFFFAOYSA-N 1 0 378.274 2.834 20 0 GFADRO [NH3+][C@@H](CC(=O)NC[C@H](O)COc1cccc(Cl)c1Cl)c1ccccc1 ZINC000237889896 553083291 /nfs/dbraw/zinc/08/32/91/553083291.db2.gz HPVGHPIRGKOKDI-ZFWWWQNUSA-N 1 0 383.275 2.939 20 0 GFADRO [NH3+][C@@H]1CC[C@H](C(=O)N2CCC(C(=O)Nc3ccccc3Br)CC2)C1 ZINC000237953108 553083824 /nfs/dbraw/zinc/08/38/24/553083824.db2.gz DCWZVRKNVFUAFZ-UONOGXRCSA-N 1 0 394.313 2.754 20 0 GFADRO Cc1ccc(Br)c(S(=O)(=O)N2CCC([NH2+]CC3CC3)CC2)c1 ZINC000237921933 553083954 /nfs/dbraw/zinc/08/39/54/553083954.db2.gz ZLJPLIZEGNQFCE-UHFFFAOYSA-N 1 0 387.343 2.910 20 0 GFADRO [NH3+][C@@H](CNC(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1)C1CC1 ZINC000238004697 553085308 /nfs/dbraw/zinc/08/53/08/553085308.db2.gz SGBJNKKQUZIXDC-CJNGLKHVSA-N 1 0 384.307 2.699 20 0 GFADRO [NH3+][C@H]1CCC[C@H](C(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)C1 ZINC000238050972 553085798 /nfs/dbraw/zinc/08/57/98/553085798.db2.gz QRDIYWAUCIEMIK-STQMWFEESA-N 1 0 385.917 2.581 20 0 GFADRO C[C@H](C(=O)N(C)CC(=O)Nc1ccc(Br)cn1)[NH+]1[C@H](C)CC[C@H]1C ZINC000245398763 553089451 /nfs/dbraw/zinc/08/94/51/553089451.db2.gz ULRHAIQFJAACMQ-JHJVBQTASA-N 1 0 397.317 2.502 20 0 GFADRO C[C@H](NC(=O)CN(C)[C@H]1CCCC[C@H]1S(C)(=O)=O)c1ccc(Cl)cc1 ZINC000245426538 553089996 /nfs/dbraw/zinc/08/99/96/553089996.db2.gz LKCWCRGZBABWAW-RRQGHBQHSA-N 1 0 386.945 2.805 20 0 GFADRO C[C@@H]1CC[N@H+](C[C@@H](O)COc2ccc(Br)cc2)C[C@@H]1n1ccnc1 ZINC000245716592 553095323 /nfs/dbraw/zinc/09/53/23/553095323.db2.gz UFBRQZQEVNLOHS-KYJSFNMBSA-N 1 0 394.313 2.968 20 0 GFADRO CCN(Cc1ccc(Cl)c(Cl)c1)[C@@H](C)C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000245785540 553097172 /nfs/dbraw/zinc/09/71/72/553097172.db2.gz MTOSRJDGQXRJRY-AAEUAGOBSA-N 1 0 393.336 2.507 20 0 GFADRO C[C@H](O)CN1CCN(S(=O)(=O)c2ccc(Cl)c3ccccc32)C[C@@H]1C ZINC000245780582 553097244 /nfs/dbraw/zinc/09/72/44/553097244.db2.gz CDHLLFDPVKXBPI-KBPBESRZSA-N 1 0 382.913 2.569 20 0 GFADRO COc1ccc([C@H](C)[NH2+]C[C@@H]2CC[C@@H](C(=O)N(C)C)O2)cc1Br ZINC000245986046 553100503 /nfs/dbraw/zinc/10/05/03/553100503.db2.gz CBSVZJSFQORMMY-RBOXIYTFSA-N 1 0 385.302 2.744 20 0 GFADRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)NCCOc1ncc(Cl)cc1Cl ZINC000246226873 553104614 /nfs/dbraw/zinc/10/46/14/553104614.db2.gz IXYHFVHZJYNWCG-SMDDNHRTSA-N 1 0 375.300 2.749 20 0 GFADRO CCCC[N@H+](C[C@H](O)COCc1ccccc1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000246487630 553108724 /nfs/dbraw/zinc/10/87/24/553108724.db2.gz GYOSJEWOBOWNJR-IRXDYDNUSA-N 1 0 389.945 2.507 20 0 GFADRO Cc1ccc(Br)cc1S(=O)(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246508956 553109537 /nfs/dbraw/zinc/10/95/37/553109537.db2.gz YDODYQSTTLFPCE-JSGCOSHPSA-N 1 0 375.332 2.861 20 0 GFADRO CC(=O)N1CC[C@H](C[N@@H+](C)CC(=O)N[C@H](C)c2ccc(Cl)c(Cl)c2)C1 ZINC000246738367 553111895 /nfs/dbraw/zinc/11/18/95/553111895.db2.gz ODRRCXUPIUYFJD-TZMCWYRMSA-N 1 0 386.323 2.971 20 0 GFADRO CC(=O)N1CC[C@H](C[N@@H+](C)[C@H](C)C(=O)Nc2ccc(C)cc2Br)C1 ZINC000246800889 553113311 /nfs/dbraw/zinc/11/33/11/553113311.db2.gz PQDGLIRUHPSSQA-UKRRQHHQSA-N 1 0 396.329 2.885 20 0 GFADRO C[N@@H+]1CCC[C@H]2CN(S(=O)(=O)c3ccc(F)cc3C(F)(F)F)CC[C@H]21 ZINC000246852582 553114320 /nfs/dbraw/zinc/11/43/20/553114320.db2.gz CQCCYJWAQMREMT-SMDDNHRTSA-N 1 0 380.407 2.949 20 0 GFADRO CC(C)Oc1cc(Br)ccc1C(=O)N1CCN(C[C@H](C)O)[C@H](C)C1 ZINC000246925086 553115874 /nfs/dbraw/zinc/11/58/74/553115874.db2.gz YYSFZWBEFYMWSV-KGLIPLIRSA-N 1 0 399.329 2.763 20 0 GFADRO O[C@H](COc1ccc(Cl)cc1Cl)C[N@@H+]1CCC[C@H]1CN1CCOCC1 ZINC000246961456 553116607 /nfs/dbraw/zinc/11/66/07/553116607.db2.gz AZDFPEUUPKLUSV-HOTGVXAUSA-N 1 0 389.323 2.530 20 0 GFADRO CC(=O)N1CC[C@H](C[N@H+](C)C[C@@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000247067354 553118131 /nfs/dbraw/zinc/11/81/31/553118131.db2.gz VQECOGMGTFSFIP-ZIAGYGMSSA-N 1 0 375.296 2.533 20 0 GFADRO C[C@@H]1Cc2cc(S(=O)(=O)N3CC[C@@H]4[C@@H](CCC[N@@H+]4C)C3)cc(Cl)c2O1 ZINC000247214365 553120335 /nfs/dbraw/zinc/12/03/35/553120335.db2.gz XFJMWEPAIUKVTR-IIYDPXPESA-N 1 0 384.929 2.768 20 0 GFADRO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)c2cc(Br)c3c(c2)OCCO3)C1 ZINC000247275504 553120996 /nfs/dbraw/zinc/12/09/96/553120996.db2.gz KBTWKZCHFQIAAG-SMDDNHRTSA-N 1 0 383.286 2.679 20 0 GFADRO C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N(C)[C@H]1CC[N@H+](C)C[C@H]1C ZINC000247353801 553121411 /nfs/dbraw/zinc/12/14/11/553121411.db2.gz JUNDOOXCNAHPCY-XUJVJEKNSA-N 1 0 386.323 2.910 20 0 GFADRO O=C(CC[N@@H+]1CCO[C@H]([C@H]2CCCO2)C1)Nc1ccccc1Br ZINC000247471397 553122461 /nfs/dbraw/zinc/12/24/61/553122461.db2.gz VGOVAMBIVHMTNT-CVEARBPZSA-N 1 0 383.286 2.658 20 0 GFADRO C[C@H]1CCN(S(=O)(=O)c2cccc(Br)c2)C[C@H]1n1ccnc1 ZINC000247578129 553124113 /nfs/dbraw/zinc/12/41/13/553124113.db2.gz LTOZTZVIOWLCOV-SWLSCSKDSA-N 1 0 384.299 2.917 20 0 GFADRO C[C@H](O)C[N@@H+]1CCN(CC(=O)Nc2c(Cl)cc(Cl)cc2Cl)C[C@@H]1C ZINC000247809397 553125623 /nfs/dbraw/zinc/12/56/23/553125623.db2.gz UHZFHRQUQVFNOC-QWRGUYRKSA-N 1 0 394.730 2.972 20 0 GFADRO CC[C@@H]1CN([C@H](C)C(=O)Nc2ccccc2Br)CC[N@@H+]1C[C@H](C)O ZINC000247778016 553125784 /nfs/dbraw/zinc/12/57/84/553125784.db2.gz REMFQPGLAYTABZ-RRFJBIMHSA-N 1 0 398.345 2.553 20 0 GFADRO CC[C@@H]1CN([C@H](C)C(=O)Nc2ccc(Br)cc2)CC[N@@H+]1C[C@H](C)O ZINC000247806892 553125984 /nfs/dbraw/zinc/12/59/84/553125984.db2.gz SXLVTNJWYDTTMV-JJRVBVJISA-N 1 0 398.345 2.553 20 0 GFADRO Cc1ccc(Br)c(S(=O)(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)c1 ZINC000247815318 553126037 /nfs/dbraw/zinc/12/60/37/553126037.db2.gz VZSRTDGKGHIMSX-TZMCWYRMSA-N 1 0 375.332 2.718 20 0 GFADRO C[C@H](Cn1cc(Br)cn1)[NH2+][C@@H]1CCN(Cc2ccccn2)C[C@H]1C ZINC000247959800 553126220 /nfs/dbraw/zinc/12/62/20/553126220.db2.gz GBQNAUFNOSQHMK-IIDMSEBBSA-N 1 0 392.345 2.929 20 0 GFADRO Cc1c2cc(Br)ccc2oc1C(=O)NCCCN1CC[NH+](C)CC1 ZINC000248032232 553127074 /nfs/dbraw/zinc/12/70/74/553127074.db2.gz LMYFNENPSVKFMM-UHFFFAOYSA-N 1 0 394.313 2.871 20 0 GFADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C2(c3cccc(Br)c3)CC2)C1 ZINC000248229253 553128381 /nfs/dbraw/zinc/12/83/81/553128381.db2.gz KJJSSRCJJLYHJS-KRWDZBQOSA-N 1 0 395.341 2.954 20 0 GFADRO CCOC(=O)C[C@H](C)[N@H+](C)CC(=O)N[C@H](C)c1ccc(Br)cc1 ZINC000248478572 553130605 /nfs/dbraw/zinc/13/06/05/553130605.db2.gz ZKGPVPSWGIPULO-QWHCGFSZSA-N 1 0 385.302 2.900 20 0 GFADRO Cc1c(C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cnn1-c1cccc(Br)c1 ZINC000248578780 553131275 /nfs/dbraw/zinc/13/12/75/553131275.db2.gz DZQJXEBETMAGPA-AFAVFJNCSA-N 1 0 389.297 2.753 20 0 GFADRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)[C@H]3CCN(c4cc(Cl)ccc4Cl)C3=O)C[C@@H]12 ZINC000248699097 553133155 /nfs/dbraw/zinc/13/31/55/553133155.db2.gz ZHDKBTOPHTVVRZ-BPGGGUHBSA-N 1 0 382.291 2.542 20 0 GFADRO C[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)c(Br)c2)[C@H]1C[NH3+] ZINC000248734643 553133971 /nfs/dbraw/zinc/13/39/71/553133971.db2.gz BOWSVMMGCRIZOD-ZANVPECISA-N 1 0 381.723 2.850 20 0 GFADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000248778412 553135199 /nfs/dbraw/zinc/13/51/99/553135199.db2.gz WNRIPYRMRGFLST-FHLIZLRMSA-N 1 0 394.357 2.695 20 0 GFADRO C[C@@H]1CN(C[C@H]2CCCN2C(=O)c2ncc(Br)s2)C[C@H](C)O1 ZINC000248860402 553135981 /nfs/dbraw/zinc/13/59/81/553135981.db2.gz AWJVXQQXSKYSTQ-GRYCIOLGSA-N 1 0 388.331 2.619 20 0 GFADRO C[C@H](O)C[N@@H+]1CCN(C(=O)C[C@H](C)c2ccc(Br)cc2)[C@H](C)C1 ZINC000249103135 553138973 /nfs/dbraw/zinc/13/89/73/553138973.db2.gz ONDJSSPBQFRDQQ-ZNMIVQPWSA-N 1 0 383.330 2.856 20 0 GFADRO CC[C@H]([NH2+][C@H](C)C(=O)N(CC)[C@H]1CCS(=O)(=O)C1)c1ccc(Cl)cc1 ZINC000249101342 553139109 /nfs/dbraw/zinc/13/91/09/553139109.db2.gz DNBNIHBQYSBJHV-COXVUDFISA-N 1 0 386.945 2.805 20 0 GFADRO COc1cc(Br)ccc1CCCN1CC[N@H+](C[C@H](C)O)C[C@H]1C ZINC000249295264 553141645 /nfs/dbraw/zinc/14/16/45/553141645.db2.gz QWKUAVFEZCHHPZ-CABCVRRESA-N 1 0 385.346 2.777 20 0 GFADRO C[C@H](O)C[N@@H+]1CCN(Cc2ncc(-c3ccc(Br)cc3)o2)[C@H](C)C1 ZINC000249294088 553141920 /nfs/dbraw/zinc/14/19/20/553141920.db2.gz QPYCGAGSFXSYJF-KGLIPLIRSA-N 1 0 394.313 2.991 20 0 GFADRO O[C@H](COc1ccc(Br)cc1)C[N@@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000249740962 553145758 /nfs/dbraw/zinc/14/57/58/553145758.db2.gz XXMLJBQUXKBBML-HIFRSBDPSA-N 1 0 380.286 2.792 20 0 GFADRO CC(=O)NC[C@H]1CCC[N@H+](C[C@@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000249812781 553146746 /nfs/dbraw/zinc/14/67/46/553146746.db2.gz JCDSEHZIDQFCJG-ZIAGYGMSSA-N 1 0 375.296 2.581 20 0 GFADRO O=S(=O)(c1sccc1Br)N1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000250151983 553147229 /nfs/dbraw/zinc/14/72/29/553147229.db2.gz ASYSPASECSQVQJ-VXGBXAGGSA-N 1 0 379.345 2.806 20 0 GFADRO O=S(=O)(c1ccc(Br)s1)N1CCCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000250230138 553147468 /nfs/dbraw/zinc/14/74/68/553147468.db2.gz ZHGZCFBHPXPXKP-MNOVXSKESA-N 1 0 379.345 2.806 20 0 GFADRO COc1cc(Br)ccc1CNC(=O)N(C)[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000253204042 553150897 /nfs/dbraw/zinc/15/08/97/553150897.db2.gz HQCWFELJBNIISG-SWLSCSKDSA-N 1 0 384.318 2.939 20 0 GFADRO CC(C)NC(=O)CN1CC[NH+](CC/C=C\c2ccc(Br)cc2)CC1 ZINC000255919534 553152836 /nfs/dbraw/zinc/15/28/36/553152836.db2.gz MXCFCYNLBXOMRN-HYXAFXHYSA-N 1 0 394.357 2.995 20 0 GFADRO CC(C)[C@H]([NH3+])C(=O)NCC(=O)Nc1ccc(Br)c(C(F)(F)F)c1 ZINC000261611543 553154095 /nfs/dbraw/zinc/15/40/95/553154095.db2.gz BCWMIBCNUYBMRW-LBPRGKRZSA-N 1 0 396.207 2.506 20 0 GFADRO C[C@@H](NC(=O)c1cccs1)C(=O)N1CC[NH2+]C[C@@H]1c1cccc(Cl)c1 ZINC000261602515 553154106 /nfs/dbraw/zinc/15/41/06/553154106.db2.gz ACIQQJXMAHVRAD-IUODEOHRSA-N 1 0 377.897 2.693 20 0 GFADRO Cc1sc(=O)n(CCC(=O)N2CC[NH2+]C[C@@H]2c2cccc(Cl)c2)c1C ZINC000261636600 553154542 /nfs/dbraw/zinc/15/45/42/553154542.db2.gz DFBZBLUJWCKTRH-MRXNPFEDSA-N 1 0 379.913 2.743 20 0 GFADRO COC(=O)C[C@H](NC(=O)C[C@@H]1CCC[C@H]1[NH3+])c1cccc(Br)c1 ZINC000261620869 553154676 /nfs/dbraw/zinc/15/46/76/553154676.db2.gz AUYHHPSKSLCKRS-GLQYFDAESA-N 1 0 383.286 2.687 20 0 GFADRO C[NH2+][C@@H](C)Cc1noc([C@H]2CCN(c3cccc(Br)c3)C2=O)n1 ZINC000261625740 553154744 /nfs/dbraw/zinc/15/47/44/553154744.db2.gz CBONUSXTNZUIHS-GXFFZTMASA-N 1 0 379.258 2.503 20 0 GFADRO C[C@]([NH3+])(C(=O)N1CCC(c2ncc[nH]2)CC1)c1ccc(Br)cc1 ZINC000261631169 553154758 /nfs/dbraw/zinc/15/47/58/553154758.db2.gz BVCSZMZSWAQHMT-QGZVFWFLSA-N 1 0 377.286 2.752 20 0 GFADRO O=S(=O)(c1ccccc1OC(F)(F)F)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000261643969 553155393 /nfs/dbraw/zinc/15/53/93/553155393.db2.gz IVFROYKEJJLRRL-CYBMUJFWSA-N 1 0 378.416 2.738 20 0 GFADRO Cc1ccc(C(=O)N2CCC3(CC[NH2+]C3)CC2)cc1I ZINC000261734582 553157491 /nfs/dbraw/zinc/15/74/91/553157491.db2.gz HWCRIFDDEQEFFJ-UHFFFAOYSA-N 1 0 384.261 2.815 20 0 GFADRO [NH3+]C[C@H]1CCC[C@H]1C(=O)Nc1cc(Br)ccc1N1CCOCC1 ZINC000261765058 553158757 /nfs/dbraw/zinc/15/87/57/553158757.db2.gz NWBDWCLILSZNCG-TZMCWYRMSA-N 1 0 382.302 2.599 20 0 GFADRO C[NH2+][C@@H](C)Cc1noc(-c2cc(S(=O)(=O)N(C)C(C)C)ccc2Cl)n1 ZINC000261789634 553159053 /nfs/dbraw/zinc/15/90/53/553159053.db2.gz OJHGYYPSULLZIC-NSHDSACASA-N 1 0 386.905 2.569 20 0 GFADRO Brc1cc2c(cc1CN1CC[NH2+]C[C@H]1c1cccnc1)OCO2 ZINC000261794787 553159176 /nfs/dbraw/zinc/15/91/76/553159176.db2.gz QJNJEMGVIFFDJC-HNNXBMFYSA-N 1 0 376.254 2.719 20 0 GFADRO C[C@H](C(=O)N1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1)c1ccc(Cl)s1 ZINC000261777538 553159244 /nfs/dbraw/zinc/15/92/44/553159244.db2.gz HAGKHUCVQPGYSS-MELADBBJSA-N 1 0 383.945 2.612 20 0 GFADRO C[C@]1(C[NH3+])CCN(C(=O)[C@@H]2CCCN2C(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000261806892 553159923 /nfs/dbraw/zinc/15/99/23/553159923.db2.gz HHBBZCFDXOGNEL-MAUKXSAKSA-N 1 0 384.307 2.795 20 0 GFADRO C[C@]1(C[NH3+])CCN(S(=O)(=O)c2cc(Cl)c(Br)cc2F)C1 ZINC000261881123 553161614 /nfs/dbraw/zinc/16/16/14/553161614.db2.gz UQLLVDANIDDQKG-GFCCVEGCSA-N 1 0 385.686 2.601 20 0 GFADRO CCOC(=O)C1CCC(NC(=O)[C@@](C)([NH3+])c2ccc(Br)cc2)CC1 ZINC000261872992 553161703 /nfs/dbraw/zinc/16/17/03/553161703.db2.gz YAUXYKUVXTUTBR-WOOZHMMNSA-N 1 0 397.313 2.861 20 0 GFADRO C[C@@H](C(=O)NCCSCCOc1cccc(Br)c1)C1C[NH2+]C1 ZINC000262037396 553164873 /nfs/dbraw/zinc/16/48/73/553164873.db2.gz FVIMQHHCERANEL-GFCCVEGCSA-N 1 0 387.343 2.533 20 0 GFADRO CCOc1cc(Br)c(CC(=O)NC2CC[NH2+]CC2)cc1OCC ZINC000262170297 553166776 /nfs/dbraw/zinc/16/67/76/553166776.db2.gz DZPXUYFMSRURLV-UHFFFAOYSA-N 1 0 385.302 2.657 20 0 GFADRO [NH3+][C@H](C(=O)N1CCO[C@H](c2cc(F)c(Cl)cc2Cl)C1)C1CCOCC1 ZINC000262179167 553167118 /nfs/dbraw/zinc/16/71/18/553167118.db2.gz YZWRQJSQDDKOKF-HOTGVXAUSA-N 1 0 391.270 2.786 20 0 GFADRO O=C(NC[C@@H]1CCCN(Cc2cc(Br)cs2)C1)[C@@H]1CCC[NH2+]1 ZINC000262301070 553168829 /nfs/dbraw/zinc/16/88/29/553168829.db2.gz OPMCPKWVEOZRCH-WFASDCNBSA-N 1 0 386.359 2.591 20 0 GFADRO [NH3+]CCc1nc(C(=O)NC[C@H](c2cccc(Cl)c2)N2CCCC2)cs1 ZINC000262323416 553168981 /nfs/dbraw/zinc/16/89/81/553168981.db2.gz CWHXSZOUYVTLGW-MRXNPFEDSA-N 1 0 378.929 2.865 20 0 GFADRO COCC1(C(=O)NCCc2ccc(-c3csc(C)n3)s2)CC[NH2+]CC1 ZINC000262448441 553170998 /nfs/dbraw/zinc/17/09/98/553170998.db2.gz ZEXAMSRNPQBMNB-UHFFFAOYSA-N 1 0 379.551 2.855 20 0 GFADRO CC[NH2+][C@H](C)CNC(=O)Cc1cc(OCC)c(OCC)cc1Br ZINC000262478102 553171327 /nfs/dbraw/zinc/17/13/27/553171327.db2.gz QRDUXBLYPWTVKD-GFCCVEGCSA-N 1 0 387.318 2.903 20 0 GFADRO CC[NH2+][C@H](C)CNC(=O)CCc1nc(-c2cc(Br)cs2)no1 ZINC000262497538 553171983 /nfs/dbraw/zinc/17/19/83/553171983.db2.gz WYVJHAFWLPEFIG-SECBINFHSA-N 1 0 387.303 2.607 20 0 GFADRO COc1cc(Br)c(CNC(=O)[C@]23C[NH2+]C[C@@H]2CCCC3)cc1OC ZINC000262550328 553172364 /nfs/dbraw/zinc/17/23/64/553172364.db2.gz OOFHTOPAASMFLP-SCLBCKFNSA-N 1 0 397.313 2.862 20 0 GFADRO COc1cc(NC(=O)c2ccn([C@H]3CCC[NH2+]C3)n2)ccc1Br ZINC000262760605 553175107 /nfs/dbraw/zinc/17/51/07/553175107.db2.gz LKTBUPPHBQDPLD-LBPRGKRZSA-N 1 0 379.258 2.831 20 0 GFADRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)CCOc1ccc(Cl)cc1Br ZINC000262775932 553175689 /nfs/dbraw/zinc/17/56/89/553175689.db2.gz LSSWTCUSWMXTNR-GWCFXTLKSA-N 1 0 375.694 2.986 20 0 GFADRO COc1ccc(CNC(=O)c2ccn([C@@H]3CCC[NH2+]C3)n2)cc1Br ZINC000262800085 553176163 /nfs/dbraw/zinc/17/61/63/553176163.db2.gz PEJFJGJYKDUCBH-CYBMUJFWSA-N 1 0 393.285 2.509 20 0 GFADRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)CCc1nc(-c2cc(Br)cs2)no1 ZINC000262840805 553176835 /nfs/dbraw/zinc/17/68/35/553176835.db2.gz RIAQLLZWZUQROH-MWLCHTKSSA-N 1 0 399.314 2.607 20 0 GFADRO CO[C@@H](C[NH3+])CC(=O)Nc1ncc(Cc2cccc(Br)c2)s1 ZINC000262861804 553177356 /nfs/dbraw/zinc/17/73/56/553177356.db2.gz LIZXNRUOHIHTMT-GFCCVEGCSA-N 1 0 384.299 2.799 20 0 GFADRO COc1ccc(Br)cc1CNC(=O)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000262873039 553177869 /nfs/dbraw/zinc/17/78/69/553177869.db2.gz XYTBYFNUMADDCI-CQSZACIVSA-N 1 0 393.285 2.509 20 0 GFADRO CCc1c(C(=O)N[C@H]2CC[NH2+]C[C@H]2C)cnn1-c1ccc(Br)cc1 ZINC000262908129 553178351 /nfs/dbraw/zinc/17/83/51/553178351.db2.gz YFQSLDIGXFVVHU-WBMJQRKESA-N 1 0 391.313 2.925 20 0 GFADRO Cc1cc(NC(=O)CNC(=O)[C@H]2CCCC[C@]2(C)[NH3+])ccc1Br ZINC000263232511 553184871 /nfs/dbraw/zinc/18/48/71/553184871.db2.gz NOVUXECKCRAFHR-DYVFJYSZSA-N 1 0 382.302 2.720 20 0 GFADRO CN(CC(=O)Nc1ccccc1Br)C(=O)[C@H]1CCCC[C@@]1(C)[NH3+] ZINC000263267117 553185326 /nfs/dbraw/zinc/18/53/26/553185326.db2.gz RRCNXVXTYRKKTD-SJKOYZFVSA-N 1 0 382.302 2.754 20 0 GFADRO C[C@@H]([NH3+])[C@@H](C)NC(=O)NCCSCCOc1cccc(Br)c1 ZINC000417583768 563885154 /nfs/dbraw/zinc/88/51/54/563885154.db2.gz AESPFLZWOUXEPP-VXGBXAGGSA-N 1 0 390.347 2.596 20 0 GFADRO Cn1cc(I)c(C[NH2+][C@@H]2CCC[C@H]([C@H]3CCOC3)C2)n1 ZINC000449607228 564192832 /nfs/dbraw/zinc/19/28/32/564192832.db2.gz WXBUDZMGTQHTTN-RWMBFGLXSA-N 1 0 389.281 2.710 20 0 GFADRO CCS(=O)(=O)NCC[NH2+][C@H](c1ccc(Br)cc1)C1CCC1 ZINC000540375349 564246796 /nfs/dbraw/zinc/24/67/96/564246796.db2.gz FPNWUNZZVBRFEK-HNNXBMFYSA-N 1 0 375.332 2.819 20 0 GFADRO [NH3+]C[C@H]1CC[C@H](CNS(=O)(=O)c2ccc(F)cc2Br)CC1 ZINC000567861624 564392814 /nfs/dbraw/zinc/39/28/14/564392814.db2.gz JGBKOQSYLJRMMK-XYPYZODXSA-N 1 0 379.295 2.632 20 0 GFADRO Cc1cccc(S(=O)(=O)N(C)[C@H]2CC[N@@H+](C(C)C)C2)c1Br ZINC000452106675 564394190 /nfs/dbraw/zinc/39/41/90/564394190.db2.gz QTPUHXRVZATQCQ-ZDUSSCGKSA-N 1 0 375.332 2.861 20 0 GFADRO O=C(NC[C@@H]1CCCC[N@H+]1CCO)c1ccc(Cl)cc1Br ZINC000452384366 564411021 /nfs/dbraw/zinc/41/10/21/564411021.db2.gz BTDHCSNMAIUWMC-LBPRGKRZSA-N 1 0 375.694 2.679 20 0 GFADRO O=C(N[C@H]1CCC[N@@H+](CCCO)C1)c1cc(Cl)cc(Br)c1F ZINC000452383104 564411044 /nfs/dbraw/zinc/41/10/44/564411044.db2.gz OFSRJKUQIZDIBN-NSHDSACASA-N 1 0 393.684 2.818 20 0 GFADRO C[C@H]([NH3+])C[C@H](C)NC(=O)CCc1nc(-c2cc(Br)cs2)no1 ZINC000568630519 564427587 /nfs/dbraw/zinc/42/75/87/564427587.db2.gz QQGZKFSCERPDED-IUCAKERBSA-N 1 0 387.303 2.735 20 0 GFADRO Ic1cnc(N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)nc1 ZINC000546622497 564461980 /nfs/dbraw/zinc/46/19/80/564461980.db2.gz NAVYGUZVLKUSKT-FZMZJTMJSA-N 1 0 384.265 2.534 20 0 GFADRO C[NH+](C)C[C@@H]1CCCN1c1ncnc2cccc(I)c21 ZINC000547284894 564482191 /nfs/dbraw/zinc/48/21/91/564482191.db2.gz BGLMPGDPKCKWQH-NSHDSACASA-N 1 0 382.249 2.765 20 0 GFADRO CN(CC[NH+]1CCCC1)S(=O)(=O)c1c(Cl)cccc1Br ZINC000312339393 563437072 /nfs/dbraw/zinc/43/70/72/563437072.db2.gz KOALEOTWCOMZTA-UHFFFAOYSA-N 1 0 381.723 2.819 20 0 GFADRO [NH3+]CC[C@H](NC(=O)c1ccc(I)c(Cl)c1)C(F)F ZINC000383500887 563517177 /nfs/dbraw/zinc/51/71/77/563517177.db2.gz ZORTWEGUTSGOOI-VIFPVBQESA-N 1 0 388.583 2.657 20 0 GFADRO CSc1ccc([C@@H](CNC(=O)C(=O)Nc2nc(C)cs2)[NH+](C)C)cc1 ZINC000294701581 563213253 /nfs/dbraw/zinc/21/32/53/563213253.db2.gz WDTDZJVOVIDUBM-CQSZACIVSA-N 1 0 378.523 2.531 20 0 GFADRO C[C@@H](NC(=O)N(CCC[NH3+])CC1CCCC1)c1ncc(Br)cn1 ZINC000418209785 563213444 /nfs/dbraw/zinc/21/34/44/563213444.db2.gz FUOAGLIUVQUFGX-GFCCVEGCSA-N 1 0 384.322 2.851 20 0 GFADRO Cc1nc(CNC(=O)N2CCC([NH2+]CC3CC3)CC2)sc1Br ZINC000418235634 563213886 /nfs/dbraw/zinc/21/38/86/563213886.db2.gz LHFOGAWCBLHGMJ-UHFFFAOYSA-N 1 0 387.347 2.888 20 0 GFADRO COCC[NH2+]CCNC(=O)N[C@@H]1c2cc(Br)ccc2CC1(C)C ZINC000418219815 563214332 /nfs/dbraw/zinc/21/43/32/563214332.db2.gz SUXLLPREXWTJRY-OAHLLOKOSA-N 1 0 384.318 2.608 20 0 GFADRO CC[NH+](CC)[C@@H](CNC(=O)c1c(Br)cnn1C)c1ccccc1 ZINC000294734053 563214350 /nfs/dbraw/zinc/21/43/50/563214350.db2.gz JFYRYOGTPKNIPE-HNNXBMFYSA-N 1 0 379.302 2.996 20 0 GFADRO O=C(CCNC(=O)NCCC1=CC[NH2+]CC1)Nc1cc(Cl)cc(Cl)c1 ZINC000418214328 563214349 /nfs/dbraw/zinc/21/43/49/563214349.db2.gz IOEMBLUODDFVGY-UHFFFAOYSA-N 1 0 385.295 2.931 20 0 GFADRO O=C1COc2ccc(C[NH2+]CCCCn3cc(Br)cn3)cc2N1 ZINC000294724265 563214780 /nfs/dbraw/zinc/21/47/80/563214780.db2.gz PPGYDDVPDBIKBI-UHFFFAOYSA-N 1 0 379.258 2.547 20 0 GFADRO [NH3+]C1(CNC(=O)N[C@@H](CO)c2cccc(Br)c2)CCCCCC1 ZINC000418284367 563215628 /nfs/dbraw/zinc/21/56/28/563215628.db2.gz MNDWPCGBRITBPN-HNNXBMFYSA-N 1 0 384.318 2.833 20 0 GFADRO COCc1nc2n(n1)C[C@@H]([NH2+][C@@H]1CCc3sc(Br)cc31)CC2 ZINC000294744425 563215559 /nfs/dbraw/zinc/21/55/59/563215559.db2.gz LNIZSYCPVKDALZ-GXSJLCMTSA-N 1 0 383.315 2.840 20 0 GFADRO C[NH2+]C[C@@H](C)CNC(=O)N1CCN(CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000418392888 563216190 /nfs/dbraw/zinc/21/61/90/563216190.db2.gz QERJTRPESAYVLH-CQSZACIVSA-N 1 0 387.355 2.719 20 0 GFADRO Cn1ncc(Br)c1C(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000294765554 563216226 /nfs/dbraw/zinc/21/62/26/563216226.db2.gz JONUTEGRMDJVRE-OAHLLOKOSA-N 1 0 377.286 2.750 20 0 GFADRO O=C(N[C@H]1CCC[NH2+]C1)N1CCC[C@H]1c1ccc(I)cc1 ZINC000418387984 563216407 /nfs/dbraw/zinc/21/64/07/563216407.db2.gz UPYYZXMYVDUZQT-GJZGRUSLSA-N 1 0 399.276 2.890 20 0 GFADRO C[C@@H]1CN(Cc2ccccc2)CCN1C(=O)c1c(Br)cnn1C ZINC000294767884 563216374 /nfs/dbraw/zinc/21/63/74/563216374.db2.gz BPVFJDUPMNIBHN-CYBMUJFWSA-N 1 0 377.286 2.529 20 0 GFADRO O=C(NC[C@H]1CCC[NH2+]1)N1CCC[C@@H]1c1ccccc1I ZINC000418368182 563216453 /nfs/dbraw/zinc/21/64/53/563216453.db2.gz MGDGLXNOGJOYHN-IUODEOHRSA-N 1 0 399.276 2.890 20 0 GFADRO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)NC[C@@H](O)COc1cccc(Cl)c1Cl ZINC000418414383 563217081 /nfs/dbraw/zinc/21/70/81/563217081.db2.gz RSFZPUVTDFPBIM-OUCADQQQSA-N 1 0 390.311 2.550 20 0 GFADRO Cn1ncc(Br)c1C(=O)N(Cc1ccco1)C1CC[NH+](C)CC1 ZINC000294780094 563217160 /nfs/dbraw/zinc/21/71/60/563217160.db2.gz CMRCVPUOMRXUQH-UHFFFAOYSA-N 1 0 381.274 2.512 20 0 GFADRO COCCN(Cc1sccc1Br)C(=O)N[C@H]1CCC[C@@H]1C[NH3+] ZINC000418465540 563217821 /nfs/dbraw/zinc/21/78/21/563217821.db2.gz NGBIVVMHHUKXRZ-YPMHNXCESA-N 1 0 390.347 2.796 20 0 GFADRO [NH3+][C@H](CNC(=O)N[C@H](CCO)c1ccccc1Br)c1ccccc1 ZINC000418432593 563218148 /nfs/dbraw/zinc/21/81/48/563218148.db2.gz SOAACAWLVMLEBU-IAGOWNOFSA-N 1 0 392.297 2.872 20 0 GFADRO [NH3+]CCCCNC(=O)N(CCc1ccc(Cl)cc1)C[C@H](O)C(F)(F)F ZINC000418534237 563219112 /nfs/dbraw/zinc/21/91/12/563219112.db2.gz XEMFIYUSWRUYNU-AWEZNQCLSA-N 1 0 381.826 2.556 20 0 GFADRO CC[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)N[C@H](C)C[NH3+])CC1 ZINC000418516896 563219214 /nfs/dbraw/zinc/21/92/14/563219214.db2.gz UBAUHSYVIBOIML-CJNGLKHVSA-N 1 0 383.334 2.575 20 0 GFADRO CCOC[C@@H]1CC[N@H+](Cc2cc(Br)ccc2O[C@@H](C)C(=O)NC)C1 ZINC000294864517 563219349 /nfs/dbraw/zinc/21/93/49/563219349.db2.gz PQYGLFKYVFZQCA-UONOGXRCSA-N 1 0 399.329 2.821 20 0 GFADRO CC(C)OCCOC[C@@H](O)CN(C)Cc1cccc(F)c1Br ZINC000294882931 563220188 /nfs/dbraw/zinc/22/01/88/563220188.db2.gz QXCMAOCTBZZUNB-AWEZNQCLSA-N 1 0 378.282 2.823 20 0 GFADRO O=C(NCC[C@H]1CCC[NH2+]1)N[C@H](CO)c1ccc(Cl)cc1C(F)(F)F ZINC000418551487 563220240 /nfs/dbraw/zinc/22/02/40/563220240.db2.gz QDJVEHFYYFYPCP-BXUZGUMPSA-N 1 0 379.810 2.834 20 0 GFADRO CC[NH2+][C@H](C)CNC(=O)N1CCO[C@@H](c2ccc(F)c(Br)c2)C1 ZINC000418595802 563220672 /nfs/dbraw/zinc/22/06/72/563220672.db2.gz XCTNGCWSEIESOL-IAQYHMDHSA-N 1 0 388.281 2.669 20 0 GFADRO CC[NH2+][C@H](C)CNC(=O)N(CCOC)Cc1ccc(Br)s1 ZINC000418593172 563221018 /nfs/dbraw/zinc/22/10/18/563221018.db2.gz RDWQVFMSMLFJRL-LLVKDONJSA-N 1 0 378.336 2.667 20 0 GFADRO [NH3+]C[C@@H](NC(=O)NC[C@@H](O)COc1cccc(Cl)c1Cl)C1CCCC1 ZINC000418631603 563221716 /nfs/dbraw/zinc/22/17/16/563221716.db2.gz YFRWBTDQXQWYMM-TZMCWYRMSA-N 1 0 390.311 2.550 20 0 GFADRO [NH3+]C[C@H]1CC[C@H](CNC(=O)N[C@@H](CO)c2ccc(Br)cc2)CC1 ZINC000418677087 563221933 /nfs/dbraw/zinc/22/19/33/563221933.db2.gz AIEQADXZRZHYDK-XEZPLFJOSA-N 1 0 384.318 2.547 20 0 GFADRO C[C@H](CCCC[NH3+])NC(=O)N1CCN(c2cccc(Br)c2)CC1 ZINC000418664480 563221939 /nfs/dbraw/zinc/22/19/39/563221939.db2.gz AXKICTLNJVHPSG-CQSZACIVSA-N 1 0 383.334 2.798 20 0 GFADRO COc1cccc(CN2CCC(O)(c3scnc3Br)CC2)n1 ZINC000369705513 563222157 /nfs/dbraw/zinc/22/21/57/563222157.db2.gz YTMZFERVBAFNIO-UHFFFAOYSA-N 1 0 384.299 2.793 20 0 GFADRO [NH3+]C[C@H]1CC[C@H](CNC(=O)N[C@@H](CO)c2cccc(Br)c2)CC1 ZINC000418661988 563222252 /nfs/dbraw/zinc/22/22/52/563222252.db2.gz BWSDROFHZULACQ-XEZPLFJOSA-N 1 0 384.318 2.547 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H](CNC(=O)NC[C@@H](O)COc2cccc(Cl)c2Cl)C1 ZINC000418711798 563222703 /nfs/dbraw/zinc/22/27/03/563222703.db2.gz GBAYBOPCANORKW-JHJVBQTASA-N 1 0 390.311 2.550 20 0 GFADRO C[C@@H](CCC[NH3+])NC(=O)N1CCN([C@@H](C)c2ccc(Br)cc2)CC1 ZINC000418704057 563223049 /nfs/dbraw/zinc/22/30/49/563223049.db2.gz MSTAFGWJYNGBPU-GJZGRUSLSA-N 1 0 397.361 2.965 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[N@@H+]1CCC[C@H](COC)C1 ZINC000294948512 563223071 /nfs/dbraw/zinc/22/30/71/563223071.db2.gz VKIKSIBNFCORKF-KBPBESRZSA-N 1 0 399.329 2.821 20 0 GFADRO CC[C@H]([NH3+])CNC(=O)N1CCC(C(=O)Nc2cccc(Br)c2)CC1 ZINC000418739073 563223539 /nfs/dbraw/zinc/22/35/39/563223539.db2.gz YBFZRKXXIGGKPR-AWEZNQCLSA-N 1 0 397.317 2.547 20 0 GFADRO [NH3+][C@H]1CCC[C@H](CNC(=O)N2CCOc3ccc(Br)cc3C2)C1 ZINC000418735075 563223713 /nfs/dbraw/zinc/22/37/13/563223713.db2.gz WAKBTHQGUBHHQY-WFASDCNBSA-N 1 0 382.302 2.871 20 0 GFADRO CCC[NH2+]CCNC(=O)C(=O)N[C@H](c1cccs1)c1ccc(Cl)cc1 ZINC000418761113 563224189 /nfs/dbraw/zinc/22/41/89/563224189.db2.gz KLFKRFISXLCKAX-INIZCTEOSA-N 1 0 379.913 2.723 20 0 GFADRO O=C(N[C@H](CCO)c1ccc(Cl)c(Cl)c1)N[C@@H]1C[NH2+]CCC1(F)F ZINC000418749933 563224396 /nfs/dbraw/zinc/22/43/96/563224396.db2.gz CVVAUCLCLAWTRB-CHWSQXEVSA-N 1 0 382.238 2.713 20 0 GFADRO O=C(N[C@H]1C[NH2+]CCC1(F)F)N(CCCO)Cc1ccc(Cl)c(Cl)c1 ZINC000418752069 563224451 /nfs/dbraw/zinc/22/44/51/563224451.db2.gz SGAYDKYYNRIVCL-AWEZNQCLSA-N 1 0 396.265 2.885 20 0 GFADRO [NH3+]CC[C@H]1CCCN(C(=O)C(=O)N[C@@H]2C[C@H]2c2ccc(Cl)cc2Cl)C1 ZINC000418814692 563226714 /nfs/dbraw/zinc/22/67/14/563226714.db2.gz GUEWTOMQQNHQBF-DIOULYMOSA-N 1 0 384.307 2.553 20 0 GFADRO Cn1cc(C[C@@H]2CC[N@H+](CC(=O)Nc3ccc(Br)cc3)C2)cn1 ZINC000370004538 563230813 /nfs/dbraw/zinc/23/08/13/563230813.db2.gz CGYFAEVMWDYEQE-ZDUSSCGKSA-N 1 0 377.286 2.686 20 0 GFADRO CCC[NH2+]CCNC(=O)C(=O)N[C@@H](c1ccc(Br)cc1)C1CCC1 ZINC000418945918 563231217 /nfs/dbraw/zinc/23/12/17/563231217.db2.gz NQMBGYBBCGYAKS-MRXNPFEDSA-N 1 0 396.329 2.522 20 0 GFADRO Cn1ncc(Br)c1C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000295156084 563231470 /nfs/dbraw/zinc/23/14/70/563231470.db2.gz KCCNHLIXOWKGMG-UHFFFAOYSA-N 1 0 377.286 2.708 20 0 GFADRO CC[NH2+]CC1CCN(C(=O)C(=O)NCCc2c(Cl)cccc2Cl)CC1 ZINC000418949053 563231747 /nfs/dbraw/zinc/23/17/47/563231747.db2.gz URWLAZHXPHICFX-UHFFFAOYSA-N 1 0 386.323 2.500 20 0 GFADRO C[C@@H](NC(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1ccc(Cl)cc1Cl ZINC000418959473 563231791 /nfs/dbraw/zinc/23/17/91/563231791.db2.gz ZZVASPJKQZTGDS-HKUMRIAESA-N 1 0 384.307 2.675 20 0 GFADRO CN(Cc1nc(-c2cccc(Br)c2)c[nH]1)[C@@H]1CCN2CCO[C@H]1C2 ZINC000295161867 563232501 /nfs/dbraw/zinc/23/25/01/563232501.db2.gz SIDVRZZYPNHDSX-SJORKVTESA-N 1 0 391.313 2.744 20 0 GFADRO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)C[NH2+][C@@H]1CCOC1(C)C ZINC000295197298 563234473 /nfs/dbraw/zinc/23/44/73/563234473.db2.gz KHDHKYPSNSHEKH-GFCCVEGCSA-N 1 0 375.252 2.876 20 0 GFADRO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N[C@H]1CCSc2ccc(Cl)cc21 ZINC000419202068 563234775 /nfs/dbraw/zinc/23/47/75/563234775.db2.gz DAOYWSQYQBUNHW-CABCVRRESA-N 1 0 383.945 2.825 20 0 GFADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+]CC1(O)CCCCC1 ZINC000295214009 563236250 /nfs/dbraw/zinc/23/62/50/563236250.db2.gz QHNDIHUNKFXAIV-CYBMUJFWSA-N 1 0 399.329 2.747 20 0 GFADRO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1Cc1cc(Br)cc2cccnc21 ZINC000419324670 563237114 /nfs/dbraw/zinc/23/71/14/563237114.db2.gz KFHBWMYJYFPUMF-KBPBESRZSA-N 1 0 378.314 2.884 20 0 GFADRO COc1cc(Br)ccc1CCC[N@@H+]1C[C@@H](C)N(CCO)C[C@@H]1C ZINC000419326379 563237375 /nfs/dbraw/zinc/23/73/75/563237375.db2.gz BYSLVEWBGFTZKQ-LSDHHAIUSA-N 1 0 385.346 2.777 20 0 GFADRO NC(=O)[C@H]([NH2+][C@@H]1CCN(c2ccc(F)cc2)C1)c1cccc(Br)c1 ZINC000419335153 563237947 /nfs/dbraw/zinc/23/79/47/563237947.db2.gz JMNDNOAASASKOR-NVXWUHKLSA-N 1 0 392.272 2.983 20 0 GFADRO C[C@H](NC(=O)CN1C[C@H](C)[N@H+](CCO)C[C@@H]1C)c1ccc(Cl)c(Cl)c1 ZINC000419335313 563238008 /nfs/dbraw/zinc/23/80/08/563238008.db2.gz VZXIMKUUYJZOOM-IHRRRGAJSA-N 1 0 388.339 2.558 20 0 GFADRO C[C@H]1CN(C(=O)C(=O)NCC(C)(C)c2ccc(Cl)c(Cl)c2)CC[C@H]1[NH3+] ZINC000419354291 563238767 /nfs/dbraw/zinc/23/87/67/563238767.db2.gz DOPDXRNGPXFQOH-XHDPSFHLSA-N 1 0 386.323 2.583 20 0 GFADRO COCCO[C@H]1C[C@@H](CO)C[N@H+](CCOc2cc(Cl)cc(Cl)c2)C1 ZINC000278063202 563238940 /nfs/dbraw/zinc/23/89/40/563238940.db2.gz FQAAZNUTYIDOKS-DYVFJYSZSA-N 1 0 378.296 2.718 20 0 GFADRO O=C(NCc1ccccc1Br)N1CCC[C@@H]1C[N@H+]1CCC[C@H]1CO ZINC000370302486 563239567 /nfs/dbraw/zinc/23/95/67/563239567.db2.gz WUINEAPJMYKFTF-CVEARBPZSA-N 1 0 396.329 2.580 20 0 GFADRO C[C@@H](CNC(=O)C(=O)NCC[C@@H]1CCC[NH2+]C1)c1c(Cl)cccc1Cl ZINC000419512838 563241064 /nfs/dbraw/zinc/24/10/64/563241064.db2.gz DUENESMLJQASMJ-STQMWFEESA-N 1 0 386.323 2.719 20 0 GFADRO O=C(NCC1CC[NH+](C2CC2)CC1)C(=O)Nc1ccc(F)cc1Br ZINC000278120721 563241576 /nfs/dbraw/zinc/24/15/76/563241576.db2.gz CFKQAKIZEIWTPH-UHFFFAOYSA-N 1 0 398.276 2.517 20 0 GFADRO C[C@H](Cc1c(Cl)cccc1Cl)NC(=O)C(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000419554144 563241898 /nfs/dbraw/zinc/24/18/98/563241898.db2.gz GUMSAAQZUQWUDC-AGIUHOORSA-N 1 0 386.323 2.626 20 0 GFADRO C[C@@H](Cc1c(Cl)cccc1Cl)NC(=O)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000419588807 563242435 /nfs/dbraw/zinc/24/24/35/563242435.db2.gz ISJNUKKUQITOTG-LBPRGKRZSA-N 1 0 386.323 2.547 20 0 GFADRO O=C(NCC1CC[NH+](C2CC2)CC1)C(=O)Nc1cc(Br)ccc1F ZINC000278155521 563242870 /nfs/dbraw/zinc/24/28/70/563242870.db2.gz IDXXIDKWIJOIFF-UHFFFAOYSA-N 1 0 398.276 2.517 20 0 GFADRO C[NH2+][C@H](C)CNC(=O)C(=O)N[C@H](C)c1ccc(-c2ccc(Cl)cc2)s1 ZINC000419616480 563243840 /nfs/dbraw/zinc/24/38/40/563243840.db2.gz STBGRXYRMXWTTQ-VXGBXAGGSA-N 1 0 379.913 2.970 20 0 GFADRO O=C(Nc1cccc(Br)n1)N1CCC[N@@H+](C2CCOCC2)CC1 ZINC000370461798 563244749 /nfs/dbraw/zinc/24/47/49/563244749.db2.gz OKFCAKBBMKWFCO-UHFFFAOYSA-N 1 0 383.290 2.563 20 0 GFADRO C[C@H]([NH2+]Cc1ccc(S(N)(=O)=O)c(Cl)c1)[C@@H](c1ccccc1)N(C)C ZINC000419682679 563245445 /nfs/dbraw/zinc/24/54/45/563245445.db2.gz JWXGCAUWMMPXBR-UGSOOPFHSA-N 1 0 381.929 2.768 20 0 GFADRO C[C@H]([NH2+]Cc1ccc(S(N)(=O)=O)c(Cl)c1)[C@H](c1ccccc1)N(C)C ZINC000419682678 563245501 /nfs/dbraw/zinc/24/55/01/563245501.db2.gz JWXGCAUWMMPXBR-SCLBCKFNSA-N 1 0 381.929 2.768 20 0 GFADRO C[C@H]1CN(C(=O)C(=O)NCC(C)(C)c2c(Cl)cccc2Cl)CC[C@H]1[NH3+] ZINC000419690121 563246186 /nfs/dbraw/zinc/24/61/86/563246186.db2.gz BLNYNJBLMXIRIE-SMDDNHRTSA-N 1 0 386.323 2.583 20 0 GFADRO CC(C)(CNC(=O)C(=O)NCC[C@@H]1CC[NH2+]C1)c1c(Cl)cccc1Cl ZINC000419691213 563246348 /nfs/dbraw/zinc/24/63/48/563246348.db2.gz DVCYUCNBSCUYLU-LBPRGKRZSA-N 1 0 386.323 2.503 20 0 GFADRO C[C@H]1C[C@@H](NC(=O)C(=O)NCC(C)(C)c2c(Cl)cccc2Cl)CC[NH2+]1 ZINC000419699597 563246923 /nfs/dbraw/zinc/24/69/23/563246923.db2.gz WPPDAVLWYZZQLM-RYUDHWBXSA-N 1 0 386.323 2.644 20 0 GFADRO C[C@H]([NH2+]C1CCN(CCS(C)(=O)=O)CC1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000370534464 563247072 /nfs/dbraw/zinc/24/70/72/563247072.db2.gz FLNSHYQNYPKVBG-AEGPPILISA-N 1 0 391.002 2.992 20 0 GFADRO COC[C@H](C)OC[C@@H](O)C[N@@H+]1CCc2sc(-c3csc(C)n3)cc2C1 ZINC000278258673 563247445 /nfs/dbraw/zinc/24/74/45/563247445.db2.gz GTQWUEXPYAQCFO-WFASDCNBSA-N 1 0 382.551 2.951 20 0 GFADRO Cc1c(CNC(=O)C(=O)N(C)CC(C)(C)C[NH3+])sc2ccc(Cl)cc12 ZINC000419718725 563248406 /nfs/dbraw/zinc/24/84/06/563248406.db2.gz WOZKQVUOWVKWQU-UHFFFAOYSA-N 1 0 381.929 2.923 20 0 GFADRO CC[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000419755916 563249438 /nfs/dbraw/zinc/24/94/38/563249438.db2.gz RFCQABPJODOFKU-CABCVRRESA-N 1 0 386.323 2.689 20 0 GFADRO CC[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000419771026 563250443 /nfs/dbraw/zinc/25/04/43/563250443.db2.gz LVZGKTRRETUXQD-DOMZBBRYSA-N 1 0 386.323 2.547 20 0 GFADRO CCC[C@@H](O)[C@H](CO)[NH2+]Cc1cc(Br)cc(C)c1OC(F)F ZINC000419801312 563250794 /nfs/dbraw/zinc/25/07/94/563250794.db2.gz AMAKVJZVKZWCNO-QWHCGFSZSA-N 1 0 382.245 2.970 20 0 GFADRO C[NH+](C)C1(CNC(=O)C(=O)Nc2cccc(Cl)c2SCC(F)F)CC1 ZINC000419797481 563251174 /nfs/dbraw/zinc/25/11/74/563251174.db2.gz SYKLYDOZNOVHSZ-UHFFFAOYSA-N 1 0 391.871 2.846 20 0 GFADRO CS[C@@H]1CN(C(=O)c2sc(-c3c(C)noc3C)nc2C)C[C@H]1[NH+](C)C ZINC000295539344 563252204 /nfs/dbraw/zinc/25/22/04/563252204.db2.gz ODGDHBUXSRGFGJ-CHWSQXEVSA-N 1 0 380.539 2.841 20 0 GFADRO C[C@@H]1c2cc(Cl)cc(Cl)c2CCN1C(=O)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000419862873 563252539 /nfs/dbraw/zinc/25/25/39/563252539.db2.gz QYZDYVJWONHCAT-NEPJUHHUSA-N 1 0 384.307 2.555 20 0 GFADRO CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000419876911 563252586 /nfs/dbraw/zinc/25/25/86/563252586.db2.gz FMBGLXGUBSTFDL-GXTWGEPZSA-N 1 0 386.323 2.846 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000370737616 563254068 /nfs/dbraw/zinc/25/40/68/563254068.db2.gz HDFZMFBWIWZCTC-CABCVRRESA-N 1 0 394.313 2.747 20 0 GFADRO CCn1cc(Br)cc1C(=O)NC[C@@H]1CCC[C@@H]1[NH+]1CCOCC1 ZINC000370760230 563254182 /nfs/dbraw/zinc/25/41/82/563254182.db2.gz NIDLILFONZFLHH-ZFWWWQNUSA-N 1 0 384.318 2.501 20 0 GFADRO Cc1ccc(S(=O)(=O)N2CC[C@@H](C[N@@H+](C)Cc3scnc3C)C2)s1 ZINC000278422665 563254402 /nfs/dbraw/zinc/25/44/02/563254402.db2.gz QVUCJHAMJRBUCE-AWEZNQCLSA-N 1 0 385.580 2.964 20 0 GFADRO C[NH+](C)CC[C@](C)(O)CNC(=O)Cc1cc(Cl)c(Br)cc1F ZINC000419974737 563255124 /nfs/dbraw/zinc/25/51/24/563255124.db2.gz KQKQBYAZJMLIDD-HNNXBMFYSA-N 1 0 395.700 2.603 20 0 GFADRO CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1CC=C(c2ccc(Cl)c(Cl)c2)CC1 ZINC000420008903 563255857 /nfs/dbraw/zinc/25/58/57/563255857.db2.gz DRTLJJKUAJYILS-MRXNPFEDSA-N 1 0 384.307 2.709 20 0 GFADRO O=C(Cc1cc(Cl)ccc1Br)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000370806212 563256654 /nfs/dbraw/zinc/25/66/54/563256654.db2.gz OLAFUOBTERGWSB-ZIAGYGMSSA-N 1 0 387.705 2.624 20 0 GFADRO C[C@H]1C[N@H+](CCCNC(=O)c2cc(F)c(F)cc2Br)CCCO1 ZINC000278472269 563258002 /nfs/dbraw/zinc/25/80/02/563258002.db2.gz JWTOIMTUIPAFPZ-NSHDSACASA-N 1 0 391.256 2.958 20 0 GFADRO COc1cc(C[NH2+][C@]2(CCO)CCOC2)cc(Br)c1OC(F)F ZINC000278481822 563258270 /nfs/dbraw/zinc/25/82/70/563258270.db2.gz JNIPFGAUFIWHDI-OAHLLOKOSA-N 1 0 396.228 2.690 20 0 GFADRO Cn1cc([C@@H]2[C@H](CNC(=O)c3coc(Br)c3)CCC[N@@H+]2C)cn1 ZINC000370912321 563259813 /nfs/dbraw/zinc/25/98/13/563259813.db2.gz SRXNHILIGNPDLA-NHYWBVRUSA-N 1 0 381.274 2.589 20 0 GFADRO C[C@@H](COc1ccc(Cl)c(Cl)c1)[NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000295732816 563260381 /nfs/dbraw/zinc/26/03/81/563260381.db2.gz OINAWFVAEHZAGA-RYUDHWBXSA-N 1 0 381.325 2.632 20 0 GFADRO [NH3+]CC[C@@H]1CCCN(c2ncnc3ccc(I)cc32)C1 ZINC000420240040 563260460 /nfs/dbraw/zinc/26/04/60/563260460.db2.gz JJKSHMAHJAMLST-NSHDSACASA-N 1 0 382.249 2.800 20 0 GFADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)Cc1ccc(F)cc1Br ZINC000278537646 563260823 /nfs/dbraw/zinc/26/08/23/563260823.db2.gz SRZGSMWJYQCMJV-CYBMUJFWSA-N 1 0 399.304 2.842 20 0 GFADRO O=S(=O)(CC1CC(F)(F)C1)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000295743785 563261074 /nfs/dbraw/zinc/26/10/74/563261074.db2.gz PZGTYQRKAFFZBE-CYBMUJFWSA-N 1 0 378.510 2.925 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)Nc1ccc(Br)cn1 ZINC000278571252 563262060 /nfs/dbraw/zinc/26/20/60/563262060.db2.gz RTIMJLSKEZSJNN-CYBMUJFWSA-N 1 0 397.317 2.553 20 0 GFADRO Cn1ncc(Br)c1C[NH2+][C@@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1 ZINC000278615103 563263233 /nfs/dbraw/zinc/26/32/33/563263233.db2.gz DGCIPFWJPWALQE-ZBFHGGJFSA-N 1 0 385.256 2.996 20 0 GFADRO Cc1cc(Br)c(S(=O)(=O)N2CCCC[C@H]2[C@H]2CC[NH2+]C2)s1 ZINC000420457267 563263592 /nfs/dbraw/zinc/26/35/92/563263592.db2.gz HUASINFOWHUIMW-AAEUAGOBSA-N 1 0 393.372 2.972 20 0 GFADRO CS(=O)(=O)[C@@H]1CCCN(CCCC(=O)c2ccc(Br)cc2)C1 ZINC000295823008 563263960 /nfs/dbraw/zinc/26/39/60/563263960.db2.gz VKYLGIJYAXPQPM-OAHLLOKOSA-N 1 0 388.327 2.921 20 0 GFADRO O=S(=O)(c1ccc(F)c(Br)c1)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420471642 563265133 /nfs/dbraw/zinc/26/51/33/563265133.db2.gz YICYMLDFZQFSAW-IAQYHMDHSA-N 1 0 391.306 2.741 20 0 GFADRO O=S(=O)(c1cc(F)ccc1Br)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420470264 563265168 /nfs/dbraw/zinc/26/51/68/563265168.db2.gz WOPBSYJTZIBHAI-RISCZKNCSA-N 1 0 391.306 2.741 20 0 GFADRO O=S(=O)(c1sccc1Br)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420471668 563265177 /nfs/dbraw/zinc/26/51/77/563265177.db2.gz YNDXCFOMWOQKIB-PWSUYJOCSA-N 1 0 379.345 2.663 20 0 GFADRO Cc1cc(Br)cc(S(=O)(=O)N2C[C@@H]([NH3+])Cc3ccccc32)c1 ZINC000420474389 563266057 /nfs/dbraw/zinc/26/60/57/563266057.db2.gz JSLLLYHREHTOEB-AWEZNQCLSA-N 1 0 381.295 2.836 20 0 GFADRO COC(=O)c1cccc(C[N@@H+]2CC[C@H](C(=O)NCC(F)(F)F)C2)c1Cl ZINC000295869366 563266396 /nfs/dbraw/zinc/26/63/96/563266396.db2.gz YWMNNLFGLUVEOQ-NSHDSACASA-N 1 0 378.778 2.627 20 0 GFADRO COc1ccc(CN2CC[N@@H+](C3CCOCC3)C[C@@H]2C)c(Br)c1O ZINC000278706480 563267454 /nfs/dbraw/zinc/26/74/54/563267454.db2.gz PMMMSOKHHPUXSV-ZDUSSCGKSA-N 1 0 399.329 2.848 20 0 GFADRO O=C(c1n[nH]c2ccc(Br)cc21)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000371234491 563269161 /nfs/dbraw/zinc/26/91/61/563269161.db2.gz FKMAIXHTWLPEOH-BXUZGUMPSA-N 1 0 377.286 2.930 20 0 GFADRO O=C(Cc1cccc(I)c1)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000371233609 563269308 /nfs/dbraw/zinc/26/93/08/563269308.db2.gz ZNHLQGJPSYWKGC-HOCLYGCPSA-N 1 0 398.288 2.824 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2C(=O)COc1ccccc1Br ZINC000371242922 563269784 /nfs/dbraw/zinc/26/97/84/563269784.db2.gz QMDQIOBDIPOQCB-KMFMINBZSA-N 1 0 397.313 2.538 20 0 GFADRO COC[C@H]([NH2+][C@@H](C)C(=O)Nc1ccc(C)cc1Br)[C@@H]1CCCO1 ZINC000278769853 563269843 /nfs/dbraw/zinc/26/98/43/563269843.db2.gz NPWVLTFESMWQKD-RCBQFDQVSA-N 1 0 385.302 2.868 20 0 GFADRO CC[NH+](CC)Cc1ccc(CNS(=O)(=O)CCc2scnc2C)cc1 ZINC000295970087 563269899 /nfs/dbraw/zinc/26/98/99/563269899.db2.gz NJAOQTKNTLSYEX-UHFFFAOYSA-N 1 0 381.567 2.955 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2cc(F)ccc2OC(F)F)[C@@H](C)C1 ZINC000420667032 563271495 /nfs/dbraw/zinc/27/14/95/563271495.db2.gz CUFRHVYOIDWMKW-AAEUAGOBSA-N 1 0 380.432 2.778 20 0 GFADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+]C[C@](C)(OC)C1CC1 ZINC000296047795 563271995 /nfs/dbraw/zinc/27/19/95/563271995.db2.gz OIQOFUMSRLIACF-XIKOKIGWSA-N 1 0 399.329 2.867 20 0 GFADRO O=S1(=O)CCC[C@@H](C[NH2+][C@H]2CCc3c2ccc(F)c3Br)C1 ZINC000296047975 563272018 /nfs/dbraw/zinc/27/20/18/563272018.db2.gz OKHAUCGRSVMZPQ-HZMBPMFUSA-N 1 0 376.291 2.990 20 0 GFADRO Cc1ncsc1CCS(=O)(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000296114454 563275200 /nfs/dbraw/zinc/27/52/00/563275200.db2.gz YBSYGUALXHDFNA-UHFFFAOYSA-N 1 0 379.551 2.709 20 0 GFADRO Cc1cc(F)c(Br)cc1S(=O)(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000420728929 563280512 /nfs/dbraw/zinc/28/05/12/563280512.db2.gz BEGAPWACYSQZEY-LLVKDONJSA-N 1 0 379.295 2.611 20 0 GFADRO C[NH+](C)CCCCNC(=O)CCOc1cccc(I)c1 ZINC000279037428 563280769 /nfs/dbraw/zinc/28/07/69/563280769.db2.gz ODYBZQNNJSSYAV-UHFFFAOYSA-N 1 0 390.265 2.518 20 0 GFADRO C[NH+](C)C1CCC(NS(=O)(=O)Cc2cccc(Br)c2)CC1 ZINC000420741343 563281848 /nfs/dbraw/zinc/28/18/48/563281848.db2.gz HNGOTDBYCUXKMX-UHFFFAOYSA-N 1 0 375.332 2.741 20 0 GFADRO CN1C(=O)C[C@H](C(=O)NC[C@H](c2cccs2)[NH+](C)C)[C@@H]1c1cccs1 ZINC000371706050 563285072 /nfs/dbraw/zinc/28/50/72/563285072.db2.gz IACOPENCRCAGGD-OGHNNQOOSA-N 1 0 377.535 2.748 20 0 GFADRO O=S1(=O)CC[C@@](O)(C[NH2+][C@@H](c2ccc(F)cc2)c2ccc(Cl)cc2)C1 ZINC000296367668 563285409 /nfs/dbraw/zinc/28/54/09/563285409.db2.gz JCIYVQTYBDYVID-QZTJIDSGSA-N 1 0 383.872 2.708 20 0 GFADRO CN(C[C@@H]1CCC[N@@H+]1C)S(=O)(=O)c1cc(Br)ccc1Cl ZINC000420772752 563285649 /nfs/dbraw/zinc/28/56/49/563285649.db2.gz VCKHKKNQYIGGOF-NSHDSACASA-N 1 0 381.723 2.817 20 0 GFADRO C[C@@H]([NH2+]C[C@@]1(O)CCS(=O)(=O)C1)c1ccc(SCC(F)(F)F)cc1 ZINC000296450565 563288013 /nfs/dbraw/zinc/28/80/13/563288013.db2.gz MSBCDPSTJXBSHN-RISCZKNCSA-N 1 0 383.457 2.541 20 0 GFADRO COc1cc(OC)cc(OCC[NH2+]Cc2c(Br)c(C)nn2C)c1 ZINC000279225547 563288401 /nfs/dbraw/zinc/28/84/01/563288401.db2.gz XXANTTYUBAUWMH-UHFFFAOYSA-N 1 0 384.274 2.677 20 0 GFADRO CC(C)C[C@H]([NH2+]C[C@]1(O)CCS(=O)(=O)C1)c1cccc(Br)c1 ZINC000296502334 563289831 /nfs/dbraw/zinc/28/98/31/563289831.db2.gz PBVRENXQUOZNLJ-JKSUJKDBSA-N 1 0 390.343 2.676 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000279280951 563290338 /nfs/dbraw/zinc/29/03/38/563290338.db2.gz XNCIADPRNZPVRL-KBPBESRZSA-N 1 0 396.329 2.885 20 0 GFADRO Cc1nccc(CN2CCC[C@@H](NCc3ccccc3Br)C2=O)n1 ZINC000371952030 563291727 /nfs/dbraw/zinc/29/17/27/563291727.db2.gz BPDKLCKJVBUEEX-QGZVFWFLSA-N 1 0 389.297 2.828 20 0 GFADRO CCN1CCC([N@@H+]2CCCN(Cc3cncc(Br)c3)CC2)CC1 ZINC000420981150 563293243 /nfs/dbraw/zinc/29/32/43/563293243.db2.gz MPGRNELEXQZKOC-UHFFFAOYSA-N 1 0 381.362 2.836 20 0 GFADRO CN(C)C(=O)O[C@H]1CCN(Cc2nc(-c3cccc(Br)c3)no2)C1 ZINC000296634342 563294962 /nfs/dbraw/zinc/29/49/62/563294962.db2.gz HXPQTLIQJOEYEC-ZDUSSCGKSA-N 1 0 395.257 2.772 20 0 GFADRO [NH3+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)c1ccc(F)cc1I ZINC000372099407 563295636 /nfs/dbraw/zinc/29/56/36/563295636.db2.gz ULMIKJSSSZZAAU-YOGCLGLASA-N 1 0 388.224 2.915 20 0 GFADRO Ic1ccc(C[NH2+]C2CCN(c3cccnn3)CC2)cc1 ZINC000296675175 563296500 /nfs/dbraw/zinc/29/65/00/563296500.db2.gz GNFJJBFAVZXTKO-UHFFFAOYSA-N 1 0 394.260 2.840 20 0 GFADRO COCC[C@H](NCc1cn(CC(=O)OC)nn1)c1ccc(Cl)c(Cl)c1 ZINC000296689903 563296730 /nfs/dbraw/zinc/29/67/30/563296730.db2.gz HLYQKRMICMLVFL-HNNXBMFYSA-N 1 0 387.267 2.625 20 0 GFADRO COCCOc1ccc(C(=O)N2CCN([C@H]3CCSC3)CC2)c(Cl)c1 ZINC000372152601 563297147 /nfs/dbraw/zinc/29/71/47/563297147.db2.gz KKLGAHXTMWPYSQ-AWEZNQCLSA-N 1 0 384.929 2.629 20 0 GFADRO Cc1c(Br)ccc(C(=O)NCCN2CCC([NH+](C)C)CC2)c1F ZINC000279526725 563299461 /nfs/dbraw/zinc/29/94/61/563299461.db2.gz RYRDCEVXKBUOGN-UHFFFAOYSA-N 1 0 386.309 2.652 20 0 GFADRO COc1ccc([C@@H]2CCN(C(=O)C[C@H]3CSCCS3)C[C@H]2[NH3+])cc1F ZINC000296821430 563302959 /nfs/dbraw/zinc/30/29/59/563302959.db2.gz ANCXCLBICKVTMZ-OFQRWUPVSA-N 1 0 384.542 2.716 20 0 GFADRO C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]CC1(S(C)(=O)=O)CC1 ZINC000279646810 563304921 /nfs/dbraw/zinc/30/49/21/563304921.db2.gz JYTAZDGYALROSY-LLVKDONJSA-N 1 0 378.416 2.589 20 0 GFADRO Cc1nc2ccc(Br)cn2c1C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000279725049 563308255 /nfs/dbraw/zinc/30/82/55/563308255.db2.gz CBYDOYQHGCTHRK-HIFRSBDPSA-N 1 0 391.313 2.962 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2S(=O)(=O)/C=C/c1cccc(Cl)c1 ZINC000372510204 563309473 /nfs/dbraw/zinc/30/94/73/563309473.db2.gz AJUQVJKJMWDKJW-KBEQVROBSA-N 1 0 384.929 2.824 20 0 GFADRO C[C@H](C(=O)Nc1cccc(Br)c1)N1CCC[N@H+](CC(C)(C)O)CC1 ZINC000372543447 563310241 /nfs/dbraw/zinc/31/02/41/563310241.db2.gz DRWPQYKSLLFCAG-CQSZACIVSA-N 1 0 398.345 2.555 20 0 GFADRO CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)NCc1ccc(Br)c(F)c1 ZINC000372569584 563310814 /nfs/dbraw/zinc/31/08/14/563310814.db2.gz JBKBGGRFMJVSQP-KHIZAZIESA-N 1 0 385.277 2.737 20 0 GFADRO C[C@H](CCNC(=O)c1ccc(S(C)(=O)=O)s1)[N@H+](C)Cc1ccccc1 ZINC000421502176 563312903 /nfs/dbraw/zinc/31/29/03/563312903.db2.gz LTPAEIAETHRQRB-CQSZACIVSA-N 1 0 380.535 2.792 20 0 GFADRO CN(C(=O)C(=O)Nc1ccsc1Cl)C1CCN(c2cc[nH+]cc2)CC1 ZINC000372640146 563313084 /nfs/dbraw/zinc/31/30/84/563313084.db2.gz OJUIEDAPQINHMQ-UHFFFAOYSA-N 1 0 378.885 2.862 20 0 GFADRO C[C@@H]1C[NH+](CCCNC(=O)N[C@H](c2nccs2)C(F)(F)F)C[C@@H](C)O1 ZINC000297118545 563315990 /nfs/dbraw/zinc/31/59/90/563315990.db2.gz XRPLTDRVBDVUCE-IJLUTSLNSA-N 1 0 380.436 2.545 20 0 GFADRO Cc1cc(F)c(Br)cc1NC(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000372773843 563317466 /nfs/dbraw/zinc/31/74/66/563317466.db2.gz WFNWHIFGXGMSFH-RYUDHWBXSA-N 1 0 398.276 2.578 20 0 GFADRO CC[C@H](NC(=O)NCC1CC[NH+](Cc2cccs2)CC1)[C@@H](O)C(F)F ZINC000297163852 563318373 /nfs/dbraw/zinc/31/83/73/563318373.db2.gz JNBFQQNQVKQHES-LSDHHAIUSA-N 1 0 375.485 2.664 20 0 GFADRO Cc1ncc(C(=O)N2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)c(Cl)c1Cl ZINC000372854315 563319411 /nfs/dbraw/zinc/31/94/11/563319411.db2.gz DAMMZQURPZKGFG-DOMZBBRYSA-N 1 0 385.339 2.795 20 0 GFADRO C[C@H](N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000280044151 563320125 /nfs/dbraw/zinc/32/01/25/563320125.db2.gz JCUVJLSLXILUAB-AMJWSMQMSA-N 1 0 392.352 2.774 20 0 GFADRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)c1c(F)cccc1I ZINC000421714740 563320600 /nfs/dbraw/zinc/32/06/00/563320600.db2.gz WDOWGAOCSPQLEL-SNVBAGLBSA-N 1 0 376.213 2.597 20 0 GFADRO Cn1cc(Br)cc1C(=O)N1CC[C@@H](c2ccc(F)cc2)[C@H]([NH3+])C1 ZINC000297272772 563321780 /nfs/dbraw/zinc/32/17/80/563321780.db2.gz SQRLPLMKYSVWEB-LSDHHAIUSA-N 1 0 380.261 2.884 20 0 GFADRO C[C@H](Cc1ccc(F)cc1Cl)[NH2+]Cc1ccc(S(=O)(=O)CCO)cc1 ZINC000421844728 563322570 /nfs/dbraw/zinc/32/25/70/563322570.db2.gz ULYTXPSKBBBIFT-CYBMUJFWSA-N 1 0 385.888 2.966 20 0 GFADRO O=C(Nc1nc2cc(Br)ccn2n1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000297299640 563323019 /nfs/dbraw/zinc/32/30/19/563323019.db2.gz IOIIGXVCYGQHST-CYBMUJFWSA-N 1 0 393.289 2.584 20 0 GFADRO Cc1cc(C[NH2+][C@@H](C)c2ccc(Br)c(S(N)(=O)=O)c2)cc(C)n1 ZINC000421857931 563323223 /nfs/dbraw/zinc/32/32/23/563323223.db2.gz PUOGMVBOAPVQLI-LBPRGKRZSA-N 1 0 398.326 2.959 20 0 GFADRO O=S1(=O)CC[C@H]([NH2+]C2CCN(Cc3cscn3)CC2)c2ccccc21 ZINC000372945902 563323441 /nfs/dbraw/zinc/32/34/41/563323441.db2.gz FOXJURNIPDFGCB-KRWDZBQOSA-N 1 0 377.535 2.616 20 0 GFADRO Cc1nn(C)c(N2CCOCC2)c1C[NH2+]CCc1cccc(Br)c1 ZINC000297478702 563327270 /nfs/dbraw/zinc/32/72/70/563327270.db2.gz JLFKOGRIOOYQQS-UHFFFAOYSA-N 1 0 393.329 2.660 20 0 GFADRO CC(=O)N[C@@H](CC(=O)N(C)C[C@@H]1CCC[N@@H+]1C)c1ccc(Br)cc1 ZINC000422013311 563327921 /nfs/dbraw/zinc/32/79/21/563327921.db2.gz CUCRGQYRAJCVKA-IRXDYDNUSA-N 1 0 396.329 2.569 20 0 GFADRO CSc1ccc([C@H](CNC(=O)NC[C@](C)(O)C(F)(F)F)[NH+](C)C)cc1 ZINC000297634513 563331794 /nfs/dbraw/zinc/33/17/94/563331794.db2.gz YPUFXLBLIPFFRJ-ZFWWWQNUSA-N 1 0 379.448 2.624 20 0 GFADRO Cc1ccc(Br)c(C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)c1 ZINC000373225641 563331837 /nfs/dbraw/zinc/33/18/37/563331837.db2.gz FWIGVEWNKWAZJX-UHFFFAOYSA-N 1 0 377.286 3.473 20 0 GFADRO Cc1cc(C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)ccc1Br ZINC000373234004 563332828 /nfs/dbraw/zinc/33/28/28/563332828.db2.gz UUQPSCZNGVXMPP-UHFFFAOYSA-N 1 0 377.286 3.473 20 0 GFADRO O[C@@]1(C2CC2)CC[N@H+](Cc2ccc(Br)cc2N2CCOCC2)C1 ZINC000373329499 563334868 /nfs/dbraw/zinc/33/48/68/563334868.db2.gz XZMXBPBVMMJEFP-SFHVURJKSA-N 1 0 381.314 2.633 20 0 GFADRO CCOc1ccc(Br)cc1NC(=O)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O ZINC000373349704 563335424 /nfs/dbraw/zinc/33/54/24/563335424.db2.gz WOFVBJDWXDUAHJ-YOGCLGLASA-N 1 0 381.270 2.601 20 0 GFADRO C[C@@H](CNC(=O)C(=O)N(C)C[C@H]1CCC[N@@H+]1C)c1c(Cl)cccc1Cl ZINC000422295374 563336139 /nfs/dbraw/zinc/33/61/39/563336139.db2.gz NMGAHIFRDFHQAF-QWHCGFSZSA-N 1 0 386.323 2.766 20 0 GFADRO CS(=O)(=O)CCCCC[NH2+]C1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000373461413 563338629 /nfs/dbraw/zinc/33/86/29/563338629.db2.gz MUNGWXDQGNXKQU-UHFFFAOYSA-N 1 0 386.945 2.749 20 0 GFADRO Cc1nc2ccc(Br)cn2c1C(=O)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000373473700 563339204 /nfs/dbraw/zinc/33/92/04/563339204.db2.gz JETVNGODQPPPIC-CQSZACIVSA-N 1 0 377.286 2.716 20 0 GFADRO CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000297936737 563340304 /nfs/dbraw/zinc/34/03/04/563340304.db2.gz VEQRCIWLSBLKAD-UKRRQHHQSA-N 1 0 383.945 2.693 20 0 GFADRO C[NH+](C)C[C@H]1CCCN1C(=O)c1ccnc(Cl)c1I ZINC000298020950 563342129 /nfs/dbraw/zinc/34/21/29/563342129.db2.gz BEPQBGYOHYOROZ-SECBINFHSA-N 1 0 393.656 2.506 20 0 GFADRO COc1c(Br)cccc1CN1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000373583227 563342896 /nfs/dbraw/zinc/34/28/96/563342896.db2.gz MWEVLLQYKLBEBU-MRXNPFEDSA-N 1 0 382.346 2.670 20 0 GFADRO CC(C)(CC[NH3+])NC(=O)Nc1cc(Br)ccc1N1CCOCC1 ZINC000422560474 563343399 /nfs/dbraw/zinc/34/33/99/563343399.db2.gz XMRKQQIJINRAQP-UHFFFAOYSA-N 1 0 385.306 2.535 20 0 GFADRO Cc1ccc(Br)c(S(=O)(=O)N2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)c1 ZINC000422558387 563343538 /nfs/dbraw/zinc/34/35/38/563343538.db2.gz ZDPCQLHMJJQSCV-AVGNSLFASA-N 1 0 375.332 2.751 20 0 GFADRO O=C(Cc1ccc(F)cc1Br)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000373610374 563343658 /nfs/dbraw/zinc/34/36/58/563343658.db2.gz QQVUYBVQERMBDV-HNNXBMFYSA-N 1 0 385.277 2.500 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)[C@@H]1[NH2+]CCCC1(C)C ZINC000422938879 563351733 /nfs/dbraw/zinc/35/17/33/563351733.db2.gz LDSACUJGJOYBRY-HNNXBMFYSA-N 1 0 382.302 2.590 20 0 GFADRO O=C(Cc1ccc(I)cc1)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000373811732 563351967 /nfs/dbraw/zinc/35/19/67/563351967.db2.gz FXDKACFZVHCVIT-HNNXBMFYSA-N 1 0 384.261 2.530 20 0 GFADRO CCOC(=O)c1c[n-]n(C2CCN(Cc3ccc(Br)o3)CC2)c1=N ZINC000373818993 563352110 /nfs/dbraw/zinc/35/21/10/563352110.db2.gz RORPMHNQJREQBC-UHFFFAOYSA-N 1 0 397.273 2.665 20 0 GFADRO CC(C)N(Cc1ccc(Br)cc1)C(=O)c1cn(CCCC[NH3+])nn1 ZINC000422993435 563352235 /nfs/dbraw/zinc/35/22/35/563352235.db2.gz SVYTZKNDWYNYIG-UHFFFAOYSA-N 1 0 394.317 2.830 20 0 GFADRO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000422999989 563352512 /nfs/dbraw/zinc/35/25/12/563352512.db2.gz GKTPPASWEOHPKR-HEHGZKQESA-N 1 0 384.307 2.538 20 0 GFADRO O=C(NCc1ccc(F)cc1Br)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000423056892 563353887 /nfs/dbraw/zinc/35/38/87/563353887.db2.gz YYOFZIDSZVKOAJ-CQSZACIVSA-N 1 0 381.249 2.639 20 0 GFADRO COc1ccc([C@@H](NCc2ccc(S(C)(=O)=O)s2)[C@@H]2CCC[NH2+]2)cc1 ZINC000423071078 563353896 /nfs/dbraw/zinc/35/38/96/563353896.db2.gz NZSDEYSIMHZGHE-FUHWJXTLSA-N 1 0 380.535 2.743 20 0 GFADRO Cc1cc(N2CC[C@H](NC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2=O)ccc1Br ZINC000423052117 563353906 /nfs/dbraw/zinc/35/39/06/563353906.db2.gz PTPXFGALYNNLNE-CKQIIDDLSA-N 1 0 378.314 2.735 20 0 GFADRO C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000423085980 563354499 /nfs/dbraw/zinc/35/44/99/563354499.db2.gz LCKFLXAXMYGEAZ-BFQNTYOBSA-N 1 0 384.307 2.723 20 0 GFADRO CC[C@H]([NH2+]CCCc1cnn(C)c1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000280816650 563355955 /nfs/dbraw/zinc/35/59/55/563355955.db2.gz JTNZEPKPRGCJPY-INIZCTEOSA-N 1 0 384.933 2.655 20 0 GFADRO [NH3+][C@@H](CC1CCCCC1)C(=O)NCCNC(=O)c1cccc(Br)c1 ZINC000423118806 563356038 /nfs/dbraw/zinc/35/60/38/563356038.db2.gz AGNHJKZGQKZFOS-INIZCTEOSA-N 1 0 396.329 2.593 20 0 GFADRO CC(C)[C@H](C(=O)NCCc1ccc(I)s1)[C@H](C)[NH3+] ZINC000423132967 563356822 /nfs/dbraw/zinc/35/68/22/563356822.db2.gz JRVXIYSKFQHVHP-CABZTGNLSA-N 1 0 380.295 2.631 20 0 GFADRO CCOC(=O)[C@@H]1NCC[C@@H]1[NH2+]CC1(c2ccccc2Br)CCC1 ZINC000423138526 563356995 /nfs/dbraw/zinc/35/69/95/563356995.db2.gz XTBHJUKZYPXMLB-JKSUJKDBSA-N 1 0 381.314 2.754 20 0 GFADRO CC1(C)CCC[NH2+][C@H]1C(=O)NCc1nnc(-c2ccc(Br)cc2)[nH]1 ZINC000423137291 563357087 /nfs/dbraw/zinc/35/70/87/563357087.db2.gz QOPVXPQQCRKLAR-AWEZNQCLSA-N 1 0 392.301 2.629 20 0 GFADRO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000423152462 563357210 /nfs/dbraw/zinc/35/72/10/563357210.db2.gz FDOWJVLNUVSACT-UHFFFAOYSA-N 1 0 384.307 2.554 20 0 GFADRO C[NH+]1CCN(CCCNC(=O)c2cc3cc(Br)ccc3o2)CC1 ZINC000298510068 563357455 /nfs/dbraw/zinc/35/74/55/563357455.db2.gz OHHKTBKAEUCTHF-UHFFFAOYSA-N 1 0 380.286 2.563 20 0 GFADRO C[C@H](N[C@H]1CCCC[C@H]1C[NH3+])c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000423278698 563359253 /nfs/dbraw/zinc/35/92/53/563359253.db2.gz QFKUFNXFMOSYAF-BHDSKKPTSA-N 1 0 380.341 2.809 20 0 GFADRO COC(=O)C[C@H]([NH3+])C(=O)NCC1(c2cccc(Br)c2)CCCCC1 ZINC000423250334 563359326 /nfs/dbraw/zinc/35/93/26/563359326.db2.gz QDRFKBCSUMPCQE-HNNXBMFYSA-N 1 0 397.313 2.658 20 0 GFADRO COC[C@@]1(C(=O)NCCOc2c(Cl)cc(Cl)cc2Cl)CC[NH2+]C1 ZINC000423285353 563359390 /nfs/dbraw/zinc/35/93/90/563359390.db2.gz ZKMDZDBDDRNNEJ-OAHLLOKOSA-N 1 0 381.687 2.768 20 0 GFADRO CC[C@H]([NH2+]CC[S@](=O)C(C)(C)C)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000280915080 563360953 /nfs/dbraw/zinc/36/09/53/563360953.db2.gz QRXHJNDTXYEOBD-PSLXWICFSA-N 1 0 394.990 2.836 20 0 GFADRO CC(C)c1cc(Br)ccc1NC(=O)C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000423557027 563361897 /nfs/dbraw/zinc/36/18/97/563361897.db2.gz HMRYQMWQLWIUCV-UHFFFAOYSA-N 1 0 394.313 2.866 20 0 GFADRO O=C(Nc1cc(Cl)cc(C(F)(F)F)c1)C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000423571060 563362046 /nfs/dbraw/zinc/36/20/46/563362046.db2.gz VPFXFONDQYNGPX-UHFFFAOYSA-N 1 0 375.778 2.652 20 0 GFADRO CN1CC[NH2+]C[C@@H]1CN[C@@H](c1ccc(Br)o1)c1ccc(F)cc1 ZINC000423521480 563362099 /nfs/dbraw/zinc/36/20/99/563362099.db2.gz QTUVMYWDRPKVIX-RHSMWYFYSA-N 1 0 382.277 2.764 20 0 GFADRO CCOc1c(Cl)cc(NC(=O)C(=O)N2CCC3(CC[NH2+]3)CC2)cc1Cl ZINC000423571059 563362141 /nfs/dbraw/zinc/36/21/41/563362141.db2.gz VPAHJORVFVBDAU-UHFFFAOYSA-N 1 0 386.279 2.685 20 0 GFADRO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N2CCc3c(Cl)cc(Cl)cc3[C@H]2C)C1 ZINC000423545953 563362154 /nfs/dbraw/zinc/36/21/54/563362154.db2.gz PQDIEWJLHPIMQM-NEPJUHHUSA-N 1 0 384.307 2.507 20 0 GFADRO OCC[N@H+](Cc1ccc(I)c(Cl)c1)C1CCOCC1 ZINC000280993774 563362845 /nfs/dbraw/zinc/36/28/45/563362845.db2.gz FGTHOXBXIIIYOA-UHFFFAOYSA-N 1 0 395.668 2.918 20 0 GFADRO CC(C)[C@H]([NH2+]CCC(=O)Nc1ccccc1Br)c1nncn1C ZINC000298670306 563363143 /nfs/dbraw/zinc/36/31/43/563363143.db2.gz YMEUXFICZAOMLD-HNNXBMFYSA-N 1 0 380.290 2.893 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)N1CCCN(CC(F)(F)F)CC1)c1ccsc1 ZINC000298673673 563363262 /nfs/dbraw/zinc/36/32/62/563363262.db2.gz UXOFKQIMFQABNE-AWEZNQCLSA-N 1 0 378.464 2.630 20 0 GFADRO CC(C)[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000423754614 563363468 /nfs/dbraw/zinc/36/34/68/563363468.db2.gz ZWJAQCLKQOXAJB-GXSJLCMTSA-N 1 0 385.839 2.552 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000423747681 563363503 /nfs/dbraw/zinc/36/35/03/563363503.db2.gz QQEPLZAXSLAOOG-OCCSQVGLSA-N 1 0 377.286 2.800 20 0 GFADRO COC[C@]1(C(=O)N[C@H]2CCCN(c3ccc(Cl)cc3Cl)C2)CC[NH2+]C1 ZINC000423822904 563363560 /nfs/dbraw/zinc/36/35/60/563363560.db2.gz JFCQFZLIGGNMSW-KSSFIOAISA-N 1 0 386.323 2.705 20 0 GFADRO [NH2+]=C(NO)[C@@H]1CCCCN1Cc1nc(-c2cccc(Br)c2)no1 ZINC000374178836 563364772 /nfs/dbraw/zinc/36/47/72/563364772.db2.gz XSCODXSCCBFCQT-LBPRGKRZSA-N 1 0 380.246 2.810 20 0 GFADRO [NH3+]CCC[C@@H](NC(=O)CCn1cc(Br)ccc1=O)c1ccccc1 ZINC000423965656 563365478 /nfs/dbraw/zinc/36/54/78/563365478.db2.gz HZOQGVCVQPSCML-MRXNPFEDSA-N 1 0 392.297 2.597 20 0 GFADRO COc1ccc(Br)cc1C(=O)CCC(=O)N(C)[C@@H](C[NH3+])C1CC1 ZINC000423957418 563365588 /nfs/dbraw/zinc/36/55/88/563365588.db2.gz VNMCBDMVZSYJIF-AWEZNQCLSA-N 1 0 383.286 2.616 20 0 GFADRO COc1cc(Cl)c(Cl)cc1C(=O)N1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000423995000 563366185 /nfs/dbraw/zinc/36/61/85/563366185.db2.gz CVKPJILXVXQINO-NSHDSACASA-N 1 0 384.267 2.530 20 0 GFADRO [NH3+]CCC[C@H](NC(=O)CS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 ZINC000423969088 563366376 /nfs/dbraw/zinc/36/63/76/563366376.db2.gz LECKDSJSZMDYEW-KRWDZBQOSA-N 1 0 380.897 2.710 20 0 GFADRO O=C(c1csc(I)c1)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000423980733 563366470 /nfs/dbraw/zinc/36/64/70/563366470.db2.gz SJIRDGZHMQPVMR-CMPLNLGQSA-N 1 0 390.290 2.957 20 0 GFADRO C[C@@H]1CN(C(=O)c2cc(=O)[nH]c3c(Br)cccc23)C[C@@]1(C)C[NH3+] ZINC000423979905 563366601 /nfs/dbraw/zinc/36/66/01/563366601.db2.gz CKBMOHVEWUYJQK-BMLIUANNSA-N 1 0 378.270 2.760 20 0 GFADRO COc1cc(Br)c(C[NH2+][C@@H]2CCO[C@]3(CCOC3)C2)cc1OC ZINC000374268237 563366877 /nfs/dbraw/zinc/36/68/77/563366877.db2.gz FMXBXFLTIKLDGP-CXAGYDPISA-N 1 0 386.286 2.894 20 0 GFADRO C[C@@H]1CCN(C(=O)c2cnn(-c3cccc(Br)c3)c2)C[C@@H]1C[NH3+] ZINC000424000536 563366865 /nfs/dbraw/zinc/36/68/65/563366865.db2.gz BSYWTPBRSLRHAZ-OLZOCXBDSA-N 1 0 377.286 2.692 20 0 GFADRO [NH3+]Cc1cn([C@H]2CCCN(C(=O)c3cc(Br)ccc3Cl)C2)nn1 ZINC000424003369 563366924 /nfs/dbraw/zinc/36/69/24/563366924.db2.gz PRTXMPQYFIAMDQ-LBPRGKRZSA-N 1 0 398.692 2.630 20 0 GFADRO C[C@@H]1CN(C(=O)c2csc(Br)c2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000374288507 563367352 /nfs/dbraw/zinc/36/73/52/563367352.db2.gz PWWDFDCFTVJMAA-TZMCWYRMSA-N 1 0 386.359 2.609 20 0 GFADRO CN(C)C(=O)[C@@H]([NH2+]CCCCn1cc(Br)cn1)c1ccccc1 ZINC000281145394 563367518 /nfs/dbraw/zinc/36/75/18/563367518.db2.gz ZVBWNMRINLHULM-INIZCTEOSA-N 1 0 379.302 2.845 20 0 GFADRO C[C@@H]1CCN(C(=O)c2cc(=O)[nH]c3ccc(Br)cc32)C[C@@H]1C[NH3+] ZINC000424026217 563367864 /nfs/dbraw/zinc/36/78/64/563367864.db2.gz XFIWPLSFLJVGFU-MNOVXSKESA-N 1 0 378.270 2.760 20 0 GFADRO CCOc1cc(C[N@@H+]2CC[C@@](C)(C(=O)NC)C2)cc(Br)c1OC ZINC000281178382 563368366 /nfs/dbraw/zinc/36/83/66/563368366.db2.gz REBFUKZVILVRPX-QGZVFWFLSA-N 1 0 385.302 2.814 20 0 GFADRO C[C@@H]1C[C@H](C)N(C(=O)Cc2cccc(I)c2)C[C@H]1C[NH3+] ZINC000424055225 563368583 /nfs/dbraw/zinc/36/85/83/563368583.db2.gz RAIHOJXXRZOBNE-MBNYWOFBSA-N 1 0 386.277 2.666 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2C(=O)COc1ccc(Br)cc1 ZINC000374425001 563372105 /nfs/dbraw/zinc/37/21/05/563372105.db2.gz XZSOYZINXFBGMX-PVAVHDDUSA-N 1 0 397.313 2.538 20 0 GFADRO O=C(c1ccn(-c2cccc(Br)c2)n1)N1CCC2(C1)CC[NH2+]CC2 ZINC000374500547 563374329 /nfs/dbraw/zinc/37/43/29/563374329.db2.gz FKWVQTQQFVEYFZ-UHFFFAOYSA-N 1 0 389.297 2.851 20 0 GFADRO COc1ccc(Br)c(CC(=O)N2CC3(C[C@H]2C)CC[NH2+]CC3)c1 ZINC000424246816 563375312 /nfs/dbraw/zinc/37/53/12/563375312.db2.gz VVQVLHPCFYKBOP-CYBMUJFWSA-N 1 0 381.314 2.991 20 0 GFADRO O=C1CCc2cc(Cl)c(S(=O)(=O)N3CCC([NH+]4CCCC4)CC3)cc21 ZINC000374550266 563375941 /nfs/dbraw/zinc/37/59/41/563375941.db2.gz OJPYXFCPDDTSHA-UHFFFAOYSA-N 1 0 382.913 2.718 20 0 GFADRO C[C@H](C[S@](C)=O)[N@H+](C)CCC(=O)Nc1ccc(Br)cc1F ZINC000299155032 563376796 /nfs/dbraw/zinc/37/67/96/563376796.db2.gz XDOZGUVYVLNDPR-UZJPJQLHSA-N 1 0 379.295 2.616 20 0 GFADRO CS(=O)(=O)c1cc(C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c(Cl)cc1Cl ZINC000374612756 563377737 /nfs/dbraw/zinc/37/77/37/563377737.db2.gz POHNPHHHRBFUPV-NURSFMCSSA-N 1 0 391.320 2.596 20 0 GFADRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)c3cc(=O)[nH]c4c(Br)cccc34)C[C@H]21 ZINC000374614315 563377905 /nfs/dbraw/zinc/37/79/05/563377905.db2.gz UTMPPEOYMNIRBB-PSOPSSQASA-N 1 0 390.281 2.902 20 0 GFADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)C(C)(C)c1ccccc1Br ZINC000281521938 563379103 /nfs/dbraw/zinc/37/91/03/563379103.db2.gz XYZGSRZOXUAFCC-OAHLLOKOSA-N 1 0 396.373 2.869 20 0 GFADRO CC(C)[NH+]1CCC(O)(CNS(=O)(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000281663599 563382552 /nfs/dbraw/zinc/38/25/52/563382552.db2.gz NOZGTJAKWYUJIO-UHFFFAOYSA-N 1 0 381.325 2.507 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S(=O)(=O)CC[NH2+][C@@H](C)C1CCCC1 ZINC000281675571 563383019 /nfs/dbraw/zinc/38/30/19/563383019.db2.gz QFTLJXDYFGAXGY-HNNXBMFYSA-N 1 0 387.567 2.812 20 0 GFADRO C[C@@H](CC[NH+](C)C)NC(=O)[C@@H]1CCCN1C(=O)c1ccc(Br)cc1 ZINC000299573272 563386645 /nfs/dbraw/zinc/38/66/45/563386645.db2.gz BAWATXFYZMZPFX-BBRMVZONSA-N 1 0 396.329 2.510 20 0 GFADRO C[NH+]1CCC(Oc2cc(NC(=O)c3cncc(Br)c3)ccn2)CC1 ZINC000375003507 563388207 /nfs/dbraw/zinc/38/82/07/563388207.db2.gz GRAKNSHDYAMWAT-UHFFFAOYSA-N 1 0 391.269 2.964 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2cc(Cl)c(N)c(Cl)c2)[C@H](C)C1 ZINC000299725682 563390969 /nfs/dbraw/zinc/39/09/69/563390969.db2.gz UMFKNKBUMIWKON-YGRLFVJLSA-N 1 0 387.311 2.703 20 0 GFADRO CSc1ccc(OCC[NH+]2CCC(S(=O)(=O)N3CCCC3)CC2)cc1 ZINC000282003732 563393648 /nfs/dbraw/zinc/39/36/48/563393648.db2.gz DCEFRSKCNRHRCA-UHFFFAOYSA-N 1 0 384.567 2.677 20 0 GFADRO COCc1nc2n(n1)C[C@@H]([NH2+]Cc1c(F)ccc(Br)c1F)CC2 ZINC000281998571 563393721 /nfs/dbraw/zinc/39/37/21/563393721.db2.gz LWPJHPIUAPMKQF-VIFPVBQESA-N 1 0 387.228 2.570 20 0 GFADRO NS(=O)(=O)c1cnc(NCc2cccc(C[NH+]3CCCCCC3)c2)s1 ZINC000301136669 563393763 /nfs/dbraw/zinc/39/37/63/563393763.db2.gz AIPNRDRYMYUGSY-UHFFFAOYSA-N 1 0 380.539 2.779 20 0 GFADRO Cn1nc(Br)c2c1ncnc2NC[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000301169131 563395150 /nfs/dbraw/zinc/39/51/50/563395150.db2.gz STAGUHPKSRCWSW-LBPRGKRZSA-N 1 0 393.264 2.980 20 0 GFADRO CCC(C)(C)[NH2+][C@@H](C)C(=O)Nc1cnc(N2CCOCC2)c(Br)c1 ZINC000282090653 563396975 /nfs/dbraw/zinc/39/69/75/563396975.db2.gz VDUGTQBBTNCTAV-LBPRGKRZSA-N 1 0 399.333 2.786 20 0 GFADRO O=S(=O)(c1c(F)c(F)c(F)c(F)c1F)N1CCCC2(CC[NH2+]CC2)C1 ZINC000375265686 563397444 /nfs/dbraw/zinc/39/74/44/563397444.db2.gz LWELQUOLYNZMBG-UHFFFAOYSA-N 1 0 384.370 2.536 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(c2cnn(C)c(=O)c2Br)C1 ZINC000301269342 563398569 /nfs/dbraw/zinc/39/85/69/563398569.db2.gz IZPKUQSELWTABS-KGLIPLIRSA-N 1 0 383.334 2.634 20 0 GFADRO Cc1c(Br)scc1C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000375378262 563402042 /nfs/dbraw/zinc/40/20/42/563402042.db2.gz ITECJXIQQRERDW-ZDUSSCGKSA-N 1 0 386.359 2.671 20 0 GFADRO C[N@@H+]1C[C@@H]2CCCN(C(=O)c3cc(I)ccc3F)[C@@H]2C1 ZINC000425048489 563402761 /nfs/dbraw/zinc/40/27/61/563402761.db2.gz CBIIWIJIHNZMHX-IINYFYTJSA-N 1 0 388.224 2.597 20 0 GFADRO CNS(=O)(=O)c1ccc(NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)nc1 ZINC000301421479 563402964 /nfs/dbraw/zinc/40/29/64/563402964.db2.gz NRNGGTZQMUKUDO-GUYCJALGSA-N 1 0 380.539 2.546 20 0 GFADRO CO[C@@H](C(=O)Nc1cc(Br)ccc1N(C)CC[NH+](C)C)C1CC1 ZINC000425097817 563404167 /nfs/dbraw/zinc/40/41/67/563404167.db2.gz JAMIZFQHNCZJQE-MRXNPFEDSA-N 1 0 384.318 2.810 20 0 GFADRO Cc1cnc(C(=O)Nc2cc(Br)ccc2N(C)CC[NH+](C)C)cn1 ZINC000425098362 563404480 /nfs/dbraw/zinc/40/44/80/563404480.db2.gz KVPUTCCXPOVSCH-UHFFFAOYSA-N 1 0 392.301 2.798 20 0 GFADRO C[C@H]1C[C@H](C(=O)Nc2cc(Br)ccc2N(C)CC[NH+](C)C)CO1 ZINC000425097528 563404733 /nfs/dbraw/zinc/40/47/33/563404733.db2.gz ICZPTQJYAGHDHY-STQMWFEESA-N 1 0 384.318 2.810 20 0 GFADRO CS(=O)(=O)c1ccc(-c2nc(C[NH2+][C@@H]3CCO[C@@H]3C3CC3)cs2)cc1 ZINC000375425387 563404893 /nfs/dbraw/zinc/40/48/93/563404893.db2.gz GMVQVSSIZMDPGX-IAGOWNOFSA-N 1 0 378.519 2.871 20 0 GFADRO Cn1cc(-c2ccc(C[NH2+]Cc3ccccc3CS(C)(=O)=O)s2)cn1 ZINC000282318079 563406459 /nfs/dbraw/zinc/40/64/59/563406459.db2.gz TUJJUWGTQRFSLX-UHFFFAOYSA-N 1 0 375.519 2.983 20 0 GFADRO CC(C)[NH+]1CCC(N(C)c2ccc(S(N)(=O)=O)c(C(F)(F)F)c2)CC1 ZINC000301539227 563406817 /nfs/dbraw/zinc/40/68/17/563406817.db2.gz RQLGJQUYBMNJAN-UHFFFAOYSA-N 1 0 379.448 2.662 20 0 GFADRO Cc1ccc(Br)nc1C(=O)NC[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000375498888 563407048 /nfs/dbraw/zinc/40/70/48/563407048.db2.gz GVQPRYJOBISEKB-YOEHRIQHSA-N 1 0 389.297 2.970 20 0 GFADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)c1ncnc2n[nH]cc21 ZINC000301628728 563409072 /nfs/dbraw/zinc/40/90/72/563409072.db2.gz IFVIQOPVXXXDFM-UHFFFAOYSA-N 1 0 375.274 2.684 20 0 GFADRO CSc1nc2ncnc(NC3CC[NH+]([C@@H]4CCCC[C@@H]4O)CC3)c2s1 ZINC000301679261 563410265 /nfs/dbraw/zinc/41/02/65/563410265.db2.gz FAKSLVRZKJAZHM-OLZOCXBDSA-N 1 0 379.555 2.988 20 0 GFADRO C[NH+](C)C[C@@H]1CCN(S(=O)(=O)c2c(Cl)cccc2Br)C1 ZINC000282425052 563410489 /nfs/dbraw/zinc/41/04/89/563410489.db2.gz BYLJQBAIPIAXKE-JTQLQIEISA-N 1 0 381.723 2.675 20 0 GFADRO Cc1cc(Br)c(S(=O)(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)s1 ZINC000425213276 563412073 /nfs/dbraw/zinc/41/20/73/563412073.db2.gz GQOZUPINXBAFEH-CMPLNLGQSA-N 1 0 379.345 2.534 20 0 GFADRO C[N@@H+]1C[C@@H]2CCCN(S(=O)(=O)c3cc(Br)sc3Cl)[C@@H]2C1 ZINC000425212967 563412095 /nfs/dbraw/zinc/41/20/95/563412095.db2.gz GGQAPMRBKWITFG-DTWKUNHWSA-N 1 0 399.763 2.879 20 0 GFADRO Cn1nc(Br)c2c1ncnc2N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000301848576 563414247 /nfs/dbraw/zinc/41/42/47/563414247.db2.gz VNBFPAHDILOEQS-OCCSQVGLSA-N 1 0 387.285 2.983 20 0 GFADRO O[C@@H](COc1cccc(Br)c1)C[NH+]1CCC(c2cnccn2)CC1 ZINC000375703172 563414951 /nfs/dbraw/zinc/41/49/51/563414951.db2.gz VYKHCYGYZZUXKM-MRXNPFEDSA-N 1 0 392.297 2.858 20 0 GFADRO CNC(=O)[C@]1(C)CCN(c2cc[nH+]c3cc(OC)c(Br)cc32)C1 ZINC000425253243 563415114 /nfs/dbraw/zinc/41/51/14/563415114.db2.gz CMQOVKYVIROEHA-QGZVFWFLSA-N 1 0 378.270 2.968 20 0 GFADRO O=S(=O)(C1CC1)N1CCC[C@@H]([NH2+]Cc2cnc(-c3cccs3)s2)C1 ZINC000375767718 563417826 /nfs/dbraw/zinc/41/78/26/563417826.db2.gz ICWNGXNGGFCDGT-GFCCVEGCSA-N 1 0 383.564 2.918 20 0 GFADRO C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000375799457 563418680 /nfs/dbraw/zinc/41/86/80/563418680.db2.gz ZABGGJYINVYYAD-DQYPLSBCSA-N 1 0 386.323 2.851 20 0 GFADRO Ic1cccc(OCCC[N@@H+]2CC[C@H](c3nnc[nH]3)C2)c1 ZINC000425354014 563418830 /nfs/dbraw/zinc/41/88/30/563418830.db2.gz JWECUJXANYRTLB-LBPRGKRZSA-N 1 0 398.248 2.668 20 0 GFADRO Cn1ncc(Br)c1CN1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000425346766 563418929 /nfs/dbraw/zinc/41/89/29/563418929.db2.gz GNYHHLDIWVGMLI-DOTOQJQBSA-N 1 0 375.314 2.889 20 0 GFADRO COC(=O)[C@@H]1C[N@H+](Cc2cc(C)n(C)n2)C[C@H]1c1ccc(Br)cc1 ZINC000425345262 563418945 /nfs/dbraw/zinc/41/89/45/563418945.db2.gz GBXKALGHCHJLHU-DLBZAZTESA-N 1 0 392.297 2.880 20 0 GFADRO COc1ccc([C@@H]2CC[N@H+](Cc3ccc(S(=O)(=O)N(C)C)s3)C2)cc1 ZINC000425394696 563420453 /nfs/dbraw/zinc/42/04/53/563420453.db2.gz FWAHFEPKRFENGA-OAHLLOKOSA-N 1 0 380.535 2.997 20 0 GFADRO CC1(C)[C@H]([NH2+]C[C@@H]2CCN(S(=O)(=O)c3cccs3)C2)[C@H]2CCCO[C@H]21 ZINC000375836379 563420629 /nfs/dbraw/zinc/42/06/29/563420629.db2.gz CFPJCXNHBQUIET-XOSAIJSUSA-N 1 0 384.567 2.552 20 0 GFADRO OCCOC1(C[NH2+]Cc2ccc(Cl)cc2Br)CCOCC1 ZINC000282741324 563422536 /nfs/dbraw/zinc/42/25/36/563422536.db2.gz RQLFYFPOGRMRIU-UHFFFAOYSA-N 1 0 378.694 2.750 20 0 GFADRO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000375930495 563424348 /nfs/dbraw/zinc/42/43/48/563424348.db2.gz GJVJHLCYKNQKKQ-BXUZGUMPSA-N 1 0 391.265 2.688 20 0 GFADRO COCC(C)(C)[NH+]1CCN(C(=O)NCc2ccc(Br)cc2)CC1 ZINC000425479913 563424779 /nfs/dbraw/zinc/42/47/79/563424779.db2.gz ORXANJINYCZNDC-UHFFFAOYSA-N 1 0 384.318 2.701 20 0 GFADRO O=C(N1CC[C@@H](C[NH+]2CCCC2)C1)C1(c2cncc(Br)c2)CC1 ZINC000282850806 563427083 /nfs/dbraw/zinc/42/70/83/563427083.db2.gz TWWUCQMHJHLRAO-AWEZNQCLSA-N 1 0 378.314 2.820 20 0 GFADRO C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+]1CC[C@H]2OCC[C@H]2C1 ZINC000376031268 563427996 /nfs/dbraw/zinc/42/79/96/563427996.db2.gz HHFVNRGJBOVGTE-UKPHBRMFSA-N 1 0 381.314 2.907 20 0 GFADRO C[N@@H+]1C[C@@H]2CCCN(C(=O)Nc3ccccc3I)[C@@H]2C1 ZINC000425620699 563428396 /nfs/dbraw/zinc/42/83/96/563428396.db2.gz JCMBSLKZGFIZJE-SMDDNHRTSA-N 1 0 385.249 2.849 20 0 GFADRO COc1ccc(Br)cc1CNC(=O)N1CC[C@H]2CC[N@H+](C)[C@@H]2C1 ZINC000376166884 563431776 /nfs/dbraw/zinc/43/17/76/563431776.db2.gz OMKMLRIJSSUZMP-IUODEOHRSA-N 1 0 382.302 2.693 20 0 GFADRO COc1cc(Br)ccc1CNC(=O)N1CCC[C@H]2C[N@H+](C)C[C@H]21 ZINC000425734767 563434370 /nfs/dbraw/zinc/43/43/70/563434370.db2.gz AVPXHOXGRABVMA-DZGCQCFKSA-N 1 0 382.302 2.693 20 0 GFADRO C[NH+](C)C1(CNS(=O)(=O)c2c(Cl)cccc2Br)CCC1 ZINC000312927030 563437433 /nfs/dbraw/zinc/43/74/33/563437433.db2.gz XGPRDRVZJUBATB-UHFFFAOYSA-N 1 0 381.723 2.865 20 0 GFADRO O=S(=O)(c1c(Cl)cccc1Br)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000314578595 563439529 /nfs/dbraw/zinc/43/95/29/563439529.db2.gz VPLVTWDFWZVMCM-LLVKDONJSA-N 1 0 393.734 2.961 20 0 GFADRO CC[N@H+](CCNC(=O)N1CCN(c2cccs2)CC1)CCC(F)(F)F ZINC000425982703 563441540 /nfs/dbraw/zinc/44/15/40/563441540.db2.gz YFOZYRQMZDSGEY-UHFFFAOYSA-N 1 0 378.464 2.854 20 0 GFADRO CC(C)[C@@H]([NH3+])c1cn(CC(=O)Nc2ccc(Br)cc2Cl)nn1 ZINC000317248045 563442413 /nfs/dbraw/zinc/44/24/13/563442413.db2.gz KVGGYBFSBKAKBS-CQSZACIVSA-N 1 0 386.681 2.989 20 0 GFADRO [NH3+][C@H]1CCC[C@@]12CCN(C(=O)c1ccn(-c3cccc(Br)c3)n1)C2 ZINC000376458502 563443097 /nfs/dbraw/zinc/44/30/97/563443097.db2.gz RIISRNCXRDXNFJ-WMZOPIPTSA-N 1 0 389.297 2.978 20 0 GFADRO O=S(=O)(c1ccc(Br)c(F)c1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000317829839 563443233 /nfs/dbraw/zinc/44/32/33/563443233.db2.gz PHPNLOKLSUIHBM-GFCCVEGCSA-N 1 0 391.306 2.837 20 0 GFADRO C[NH+](C)CC1(C(=O)N[C@@H](C(N)=O)c2cccc(Br)c2)CCCCC1 ZINC000426094416 563443542 /nfs/dbraw/zinc/44/35/42/563443542.db2.gz RYFONKIXAKGUPZ-OAHLLOKOSA-N 1 0 396.329 2.604 20 0 GFADRO O=S(=O)(c1ccc(Br)c(F)c1)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000318728339 563443955 /nfs/dbraw/zinc/44/39/55/563443955.db2.gz LWOAHGGTAFPXMO-ABAIWWIYSA-N 1 0 391.306 2.741 20 0 GFADRO CSc1cc2c(cc1C[NH2+]CCn1cc(Br)cn1)OCCO2 ZINC000319407147 563445822 /nfs/dbraw/zinc/44/58/22/563445822.db2.gz GGZGUZAFHCYNPV-UHFFFAOYSA-N 1 0 384.299 2.929 20 0 GFADRO CC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)Cc2cccc(Br)c2)C1 ZINC000283498035 563446601 /nfs/dbraw/zinc/44/66/01/563446601.db2.gz JFESFKFIHJTVMW-AWEZNQCLSA-N 1 0 375.332 2.553 20 0 GFADRO Cc1ccc(Br)nc1C(=O)N[C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@@H]1C ZINC000376560164 563446837 /nfs/dbraw/zinc/44/68/37/563446837.db2.gz CLSDRBAPHGOHRW-RRFJBIMHSA-N 1 0 396.329 2.772 20 0 GFADRO O=C(NCC[NH+]1CCC(O)CC1)c1cc(C(F)(F)F)ccc1Br ZINC000321770644 563448546 /nfs/dbraw/zinc/44/85/46/563448546.db2.gz PNWQEGYYJQFPLQ-UHFFFAOYSA-N 1 0 395.219 2.654 20 0 GFADRO CN(C(=O)c1ccc(Br)c2c1OCCC2)[C@@H]1C[NH+]2CCC1CC2 ZINC000426304041 563448541 /nfs/dbraw/zinc/44/85/41/563448541.db2.gz AYDCRZJTZYEOII-MRXNPFEDSA-N 1 0 379.298 2.940 20 0 GFADRO COc1ccc(Br)cc1CN(C)C(=O)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000321486464 563448751 /nfs/dbraw/zinc/44/87/51/563448751.db2.gz RWMZUUFWUXXKEV-AWEZNQCLSA-N 1 0 395.219 2.958 20 0 GFADRO C[NH+](C)[C@H]1CCCN(C(=O)N[C@H]2CCN(c3cccc(Br)c3)C2)C1 ZINC000426456478 563451312 /nfs/dbraw/zinc/45/13/12/563451312.db2.gz DDWDUKGMRRDZBF-RDJZCZTQSA-N 1 0 395.345 2.763 20 0 GFADRO O=C(C1CC1)N1CCC([NH2+]Cc2cc(Br)c3c(c2)OCCO3)CC1 ZINC000324856994 563452974 /nfs/dbraw/zinc/45/29/74/563452974.db2.gz NGLWDSRVBFEDOM-UHFFFAOYSA-N 1 0 395.297 2.711 20 0 GFADRO O=C1CC[C@@H]([NH2+]Cc2cn(-c3ccc(Cl)c(Cl)c3)nn2)[C@H](C2CC2)N1 ZINC000376772633 563454174 /nfs/dbraw/zinc/45/41/74/563454174.db2.gz MQGSAMRGKOXIAB-WBVHZDCISA-N 1 0 380.279 2.721 20 0 GFADRO CC(C)[N@@H+](C)C[C@H](C)NC(=O)[C@H]1CSCN1C(=O)c1ccc(Cl)cc1 ZINC000426799452 563455921 /nfs/dbraw/zinc/45/59/21/563455921.db2.gz KUUUJXFERPTIGE-XJKSGUPXSA-N 1 0 383.945 2.700 20 0 GFADRO COc1cc(Br)c(C[NH2+][C@H](CO)C[C@H](O)C(C)(C)C)cc1OC ZINC000283840835 563456950 /nfs/dbraw/zinc/45/69/50/563456950.db2.gz FOPVURWIPIJIHG-LRDDRELGSA-N 1 0 390.318 2.714 20 0 GFADRO O=C([C@@H]1CCC[N@@H+]1C1CC1)N(CCO)Cc1cc(Br)ccc1F ZINC000426992541 563457848 /nfs/dbraw/zinc/45/78/48/563457848.db2.gz VFNDPRWBGXMLKS-INIZCTEOSA-N 1 0 385.277 2.536 20 0 GFADRO O=C(NCCCn1cc(Br)cn1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000377026358 563461279 /nfs/dbraw/zinc/46/12/79/563461279.db2.gz AXMLMOBAAXRTDQ-UHFFFAOYSA-N 1 0 398.349 2.553 20 0 GFADRO Cc1csc(-c2cccc(S(=O)(=O)N[C@@H]3C[N@H+](C4CC4)C[C@@H]3C)c2)n1 ZINC000328676781 563463313 /nfs/dbraw/zinc/46/33/13/563463313.db2.gz RVZLGHFSBHGYQH-YVEFUNNKSA-N 1 0 377.535 2.880 20 0 GFADRO CS(=O)(=O)CCOCC[NH2+][C@@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000284093591 563463731 /nfs/dbraw/zinc/46/37/31/563463731.db2.gz BNEIVARFAGXCOZ-JKSUJKDBSA-N 1 0 379.444 2.992 20 0 GFADRO COCC1(CNC(=O)/C=C/c2cc(Br)ccc2F)CC[NH2+]CC1 ZINC000284167371 563466676 /nfs/dbraw/zinc/46/66/76/563466676.db2.gz ZXDYNTFTGKHJHJ-GORDUTHDSA-N 1 0 385.277 2.734 20 0 GFADRO Cc1ncc(C[N@@H+]2CC[C@H](NC(=O)c3c(C)nn(C)c3Cl)[C@@H](C)C2)s1 ZINC000377230578 563467885 /nfs/dbraw/zinc/46/78/85/563467885.db2.gz CSWZIKQXGWEEJO-HZMBPMFUSA-N 1 0 381.933 2.787 20 0 GFADRO CN(C)c1cc[nH+]cc1C(=O)N(CCO)Cc1cc(Br)cs1 ZINC000427533895 563468858 /nfs/dbraw/zinc/46/88/58/563468858.db2.gz MCQLZUYKJHDOGF-UHFFFAOYSA-N 1 0 384.299 2.606 20 0 GFADRO CC1CC[NH+](CC(=O)N(CCO)Cc2cc(Br)cs2)CC1 ZINC000427541699 563468893 /nfs/dbraw/zinc/46/88/93/563468893.db2.gz RGYSSJUIZMNUMN-UHFFFAOYSA-N 1 0 375.332 2.563 20 0 GFADRO Cc1noc([C@@H]2CCN([C@@H]3CCN(c4cccc(Br)c4)C3=O)C2)n1 ZINC000329024265 563470406 /nfs/dbraw/zinc/47/04/06/563470406.db2.gz JBTSWLJBKLBHIS-IUODEOHRSA-N 1 0 391.269 2.735 20 0 GFADRO C[N@H+](Cc1c(F)cccc1OC(F)(F)F)C1CCN(S(C)(=O)=O)CC1 ZINC000284368464 563472195 /nfs/dbraw/zinc/47/21/95/563472195.db2.gz NMSXKAKFVXTTAM-UHFFFAOYSA-N 1 0 384.395 2.580 20 0 GFADRO Cc1nc([C@H]2CCCN(Cc3cc4c(c(Br)c3)OCO4)C2)n[nH]1 ZINC000329112244 563473093 /nfs/dbraw/zinc/47/30/93/563473093.db2.gz RHTSNIYCPSKFFW-LBPRGKRZSA-N 1 0 379.258 2.984 20 0 GFADRO CN1CC[C@@H]([NH2+]CC(=O)Nc2ccc(Br)cn2)[C@@H]1c1ccccc1 ZINC000284436896 563474321 /nfs/dbraw/zinc/47/43/21/563474321.db2.gz YZTOSWBDRKDSEI-QAPCUYQASA-N 1 0 389.297 2.818 20 0 GFADRO O=C(CCCNC(=O)C1CC[NH+](Cc2ccc(Cl)s2)CC1)NC1CC1 ZINC000377454044 563474989 /nfs/dbraw/zinc/47/49/89/563474989.db2.gz DDRWAZYOHHALKX-UHFFFAOYSA-N 1 0 383.945 2.789 20 0 GFADRO Cc1ccc(NC(=O)C(=O)NCC2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1Br ZINC000377445498 563475250 /nfs/dbraw/zinc/47/52/50/563475250.db2.gz RFNIQVDZPDPOJT-LQDVMPOASA-N 1 0 394.313 2.685 20 0 GFADRO COc1ccc(Br)cc1CNC(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000377474450 563475889 /nfs/dbraw/zinc/47/58/89/563475889.db2.gz BLVBJTQJWBLPCC-CABCVRRESA-N 1 0 382.302 2.884 20 0 GFADRO Cc1nc(S(=O)(=O)N[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)sc1C ZINC000329260860 563476778 /nfs/dbraw/zinc/47/67/78/563476778.db2.gz ZBOCQMSZSBCUJF-WMLDXEAASA-N 1 0 379.551 2.949 20 0 GFADRO COc1cc(Br)ccc1C(=O)N1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000377476499 563477143 /nfs/dbraw/zinc/47/71/43/563477143.db2.gz ILDQESQDMCBPBR-CYBMUJFWSA-N 1 0 397.313 2.783 20 0 GFADRO C[C@H](CCCC[NH3+])NS(=O)(=O)c1cc(Br)sc1Cl ZINC000427944750 563479042 /nfs/dbraw/zinc/47/90/42/563479042.db2.gz BQHPYQCOGBABDU-SSDOTTSWSA-N 1 0 375.741 2.960 20 0 GFADRO COCCC[N@@H+]1CCCN(Cc2nc3ccccn3c2Br)CC1 ZINC000377615612 563480900 /nfs/dbraw/zinc/48/09/00/563480900.db2.gz MTWOJTGMZRSLIV-UHFFFAOYSA-N 1 0 381.318 2.641 20 0 GFADRO Cc1cc(Br)ccc1C[NH2+][C@@H]1CCC(=O)N(C)[C@H]1c1ccnn1C ZINC000284597691 563481684 /nfs/dbraw/zinc/48/16/84/563481684.db2.gz QRYNTFZEWDESJP-CRAIPNDOSA-N 1 0 391.313 2.943 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CN1CCOC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000284626018 563483013 /nfs/dbraw/zinc/48/30/13/563483013.db2.gz BGLGZLULGNZDRC-USXIJHARSA-N 1 0 397.313 2.558 20 0 GFADRO NS(=O)(=O)c1cc(F)c(NCCC[NH+]2CCCCC2)c(Br)c1 ZINC000428132713 563483308 /nfs/dbraw/zinc/48/33/08/563483308.db2.gz UQYCBSACWNJSTB-UHFFFAOYSA-N 1 0 394.310 2.524 20 0 GFADRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1Cc1ncc(I)s1 ZINC000377705246 563484082 /nfs/dbraw/zinc/48/40/82/563484082.db2.gz YYWNILBGOBNNCH-QWRGUYRKSA-N 1 0 377.295 2.806 20 0 GFADRO Cc1noc(C)c1S(=O)(=O)NC[C@@H]1CC[N@@H+](C)[C@@H]1c1cccc(Cl)c1 ZINC000377741789 563484864 /nfs/dbraw/zinc/48/48/64/563484864.db2.gz KFUGMURKWVRBQA-GOEBONIOSA-N 1 0 383.901 2.916 20 0 GFADRO C[C@@H](NC(=O)C(=O)NC1CC[NH+](C)CC1)c1cc(F)c(Cl)cc1Cl ZINC000284740232 563488692 /nfs/dbraw/zinc/48/86/92/563488692.db2.gz HOOWIMBIWRDUSZ-SECBINFHSA-N 1 0 376.259 2.520 20 0 GFADRO Cn1ccnc1[C@@H]1CC[N@H+](Cc2cc(Br)c3c(c2)OCCO3)C1 ZINC000377890690 563489974 /nfs/dbraw/zinc/48/99/74/563489974.db2.gz XUJHJXJELOSKHS-CYBMUJFWSA-N 1 0 378.270 2.943 20 0 GFADRO CN(C)c1ccncc1C[NH2+]C[C@H](CO)Cc1ccc(Br)cc1 ZINC000428534993 563494641 /nfs/dbraw/zinc/49/46/41/563494641.db2.gz JDGGSCXGRYJVSO-OAHLLOKOSA-N 1 0 378.314 2.851 20 0 GFADRO O=S(=O)(c1ccc(F)cc1Br)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000378057884 563494905 /nfs/dbraw/zinc/49/49/05/563494905.db2.gz NGZBOYGUVBKKOZ-LBPRGKRZSA-N 1 0 391.306 2.598 20 0 GFADRO CNC(=O)c1ccc(C[NH2+]C[C@@H](CO)Cc2ccc(Br)cc2)cc1 ZINC000428540580 563495327 /nfs/dbraw/zinc/49/53/27/563495327.db2.gz OGRIRVOUQCJLED-INIZCTEOSA-N 1 0 391.309 2.750 20 0 GFADRO CN(c1ncncc1Br)C1CC[NH+](CCc2ccncc2)CC1 ZINC000378163899 563497803 /nfs/dbraw/zinc/49/78/03/563497803.db2.gz HITHCUFYGVDAQT-UHFFFAOYSA-N 1 0 376.302 2.777 20 0 GFADRO Cc1cc(Br)cc(S(=O)(=O)N2CCC[C@H]([NH+](C)C)CC2)c1 ZINC000428874585 563504222 /nfs/dbraw/zinc/50/42/22/563504222.db2.gz OVQSQRQKXXXRCR-AWEZNQCLSA-N 1 0 375.332 2.862 20 0 GFADRO COC1(C[NH2+]CCC(=O)Nc2ccc(Br)cc2C)CCOCC1 ZINC000428873559 563504431 /nfs/dbraw/zinc/50/44/31/563504431.db2.gz WYXZVAUAJCJFCX-UHFFFAOYSA-N 1 0 385.302 2.871 20 0 GFADRO C[C@H](NC(=O)C1CCN(C(=O)c2ccc(Cl)s2)CC1)[C@H]1CCC[NH2+]C1 ZINC000428941658 563504788 /nfs/dbraw/zinc/50/47/88/563504788.db2.gz KBYGQWXIXNWSRJ-JSGCOSHPSA-N 1 0 383.945 2.758 20 0 GFADRO C[C@H](NC(=O)c1cnc(Sc2nccn2C)c(Cl)c1)[C@H]1CCC[NH2+]C1 ZINC000428951584 563505018 /nfs/dbraw/zinc/50/50/18/563505018.db2.gz JYQNWVWPKOOBTQ-RYUDHWBXSA-N 1 0 379.917 2.738 20 0 GFADRO C[C@H](NC(=O)[C@@H]1CCN(c2cc(Cl)ccc2Cl)C1=O)[C@@H]1CCC[NH2+]C1 ZINC000428977870 563505354 /nfs/dbraw/zinc/50/53/54/563505354.db2.gz NYOZIUCRMWYTIY-SCRDCRAPSA-N 1 0 384.307 2.851 20 0 GFADRO O=C(NC1CC[NH+](CC2(O)CCCCC2)CC1)c1ccncc1Br ZINC000378393012 563505353 /nfs/dbraw/zinc/50/53/53/563505353.db2.gz HFWPCPDMZKSJCF-UHFFFAOYSA-N 1 0 396.329 2.734 20 0 GFADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)c3c(F)cccc3I)C[C@@H]21 ZINC000378448723 563507337 /nfs/dbraw/zinc/50/73/37/563507337.db2.gz DODTWLQXCCKPFC-MFKMUULPSA-N 1 0 388.224 2.597 20 0 GFADRO C[C@H]1C[C@@H]1[N@@H+]1CCN([C@H](C(N)=O)c2ccc(Br)cc2)C[C@@H](C)C1 ZINC000429015904 563507811 /nfs/dbraw/zinc/50/78/11/563507811.db2.gz AUPXFIHONOOPPO-PYTWLRIVSA-N 1 0 380.330 2.638 20 0 GFADRO Cc1cccc(OC[C@@H](O)C[NH2+][C@@H](CO)c2ccc(Br)c(F)c2)c1 ZINC000429018408 563507859 /nfs/dbraw/zinc/50/78/59/563507859.db2.gz HDRPYLQXFNXGFU-KSSFIOAISA-N 1 0 398.272 2.960 20 0 GFADRO O=C(CC[N@@H+]1CCC[C@@H]1C(=O)N1CCSCC1)Nc1ccc(Cl)cc1 ZINC000429054706 563509472 /nfs/dbraw/zinc/50/94/72/563509472.db2.gz QFWBEBFJVDGYMV-MRXNPFEDSA-N 1 0 381.929 2.708 20 0 GFADRO [NH3+]C[C@H]1CCN(C(=O)c2cccn2-c2ccc(I)cc2)C1 ZINC000429077181 563509513 /nfs/dbraw/zinc/50/95/13/563509513.db2.gz UQERXEUVIAFKFB-GFCCVEGCSA-N 1 0 395.244 2.503 20 0 GFADRO C[C@@H]1CN(C(=O)c2cc(I)ccc2Cl)CC[C@H]1[NH3+] ZINC000429126072 563509902 /nfs/dbraw/zinc/50/99/02/563509902.db2.gz FJUDHBZPNTWKPY-PRHODGIISA-N 1 0 378.641 2.754 20 0 GFADRO C[NH+](C)C1(CNC(=O)NCc2cc(Br)c3c(c2)OCCO3)CCC1 ZINC000429134970 563510631 /nfs/dbraw/zinc/51/06/31/563510631.db2.gz LUHKVYVILDNEFN-UHFFFAOYSA-N 1 0 398.301 2.504 20 0 GFADRO CC(C)[C@@H]([NH3+])CNC(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000429152420 563510907 /nfs/dbraw/zinc/51/09/07/563510907.db2.gz AOZZLRQIDNLEDK-CJNGLKHVSA-N 1 0 386.323 2.945 20 0 GFADRO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)c1cc(I)ccc1Cl ZINC000429144063 563511045 /nfs/dbraw/zinc/51/10/45/563511045.db2.gz SZDGPSOEGRKDNZ-QPUJVOFHSA-N 1 0 378.641 2.802 20 0 GFADRO CCOc1cc(Br)c(CC(=O)NC[C@@H]([NH3+])C(C)C)cc1OCC ZINC000429181986 563511881 /nfs/dbraw/zinc/51/18/81/563511881.db2.gz LSRQGJACQUZSTG-CQSZACIVSA-N 1 0 387.318 2.889 20 0 GFADRO CNC(=O)Cc1noc(C[NH2+]C(C)(C)Cc2ccc(Br)c(C)c2)n1 ZINC000429251891 563513284 /nfs/dbraw/zinc/51/32/84/563513284.db2.gz CPUOTXNHGVJHKV-UHFFFAOYSA-N 1 0 395.301 2.540 20 0 GFADRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1S(=O)(=O)c1ccc2nc(Cl)cnc2c1 ZINC000285350052 563516142 /nfs/dbraw/zinc/51/61/42/563516142.db2.gz PNBJAAYIUWKHOY-STQMWFEESA-N 1 0 380.901 2.531 20 0 GFADRO [NH3+]CC[C@H](NC(=O)c1cc(Br)sc1Br)C(F)F ZINC000383260069 563516372 /nfs/dbraw/zinc/51/63/72/563516372.db2.gz FXBRBWQYZMLALS-YFKPBYRVSA-N 1 0 392.063 2.985 20 0 GFADRO C[C@H]1C[C@H](NS(=O)(=O)c2c(Cl)cccc2Br)CC[N@@H+]1C ZINC000383228252 563516376 /nfs/dbraw/zinc/51/63/76/563516376.db2.gz ATJSJGJGUMDBLA-VHSXEESVSA-N 1 0 381.723 2.864 20 0 GFADRO CC(C)NS(=O)(=O)NCC[NH2+][C@H]1CCCSc2ccc(Cl)cc21 ZINC000429460546 563517168 /nfs/dbraw/zinc/51/71/68/563517168.db2.gz ZEEZSZUNXMCALB-AWEZNQCLSA-N 1 0 377.963 2.689 20 0 GFADRO [NH3+]CC[C@@H](NC(=O)c1ccc(I)c(Cl)c1)C(F)F ZINC000383500886 563517345 /nfs/dbraw/zinc/51/73/45/563517345.db2.gz ZORTWEGUTSGOOI-SECBINFHSA-N 1 0 388.583 2.657 20 0 GFADRO CS(=O)(=O)N1CCC[C@@H](C[NH2+][C@H](CCO)c2ccc(Cl)c(Cl)c2)C1 ZINC000285383282 563517968 /nfs/dbraw/zinc/51/79/68/563517968.db2.gz BOFAGJDUWKVBCP-BLLLJJGKSA-N 1 0 395.352 2.678 20 0 GFADRO C[NH+](C)[C@@H]1CCCN(C[C@H](O)COc2cc(F)cc(Br)c2)CC1 ZINC000429537626 563518337 /nfs/dbraw/zinc/51/83/37/563518337.db2.gz IAUPZEQPAZMJCG-CVEARBPZSA-N 1 0 389.309 2.744 20 0 GFADRO Cc1cc(S(=O)(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)ccc1Br ZINC000386826456 563518842 /nfs/dbraw/zinc/51/88/42/563518842.db2.gz SSZCUWRSUZCBSP-CJNGLKHVSA-N 1 0 387.343 2.910 20 0 GFADRO O=C(c1cn2ccc(Br)cc2n1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000285394858 563518988 /nfs/dbraw/zinc/51/89/88/563518988.db2.gz AMVXNJRMIIIXMC-CYBMUJFWSA-N 1 0 377.286 2.655 20 0 GFADRO CC(C)[NH+]1CCC(NC(=O)c2ccc(I)c(O)c2)CC1 ZINC000387323561 563519462 /nfs/dbraw/zinc/51/94/62/563519462.db2.gz BYOFXVSFCKCRSP-UHFFFAOYSA-N 1 0 388.249 2.599 20 0 GFADRO Cc1cc(COc2ccc(C(=O)NCC(C)(C)[NH3+])cc2Br)on1 ZINC000429653310 563520600 /nfs/dbraw/zinc/52/06/00/563520600.db2.gz OMEMXERJNXALGO-UHFFFAOYSA-N 1 0 382.258 2.792 20 0 GFADRO CCC[C@]1([NH2+]CC(=O)Nc2ccccc2I)CCOC1 ZINC000285444381 563520799 /nfs/dbraw/zinc/52/07/99/563520799.db2.gz FXIPLAMCLAEZHX-HNNXBMFYSA-N 1 0 388.249 2.779 20 0 GFADRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1ccc(Br)cc1Cl ZINC000429762573 563521922 /nfs/dbraw/zinc/52/19/22/563521922.db2.gz GJAITUBKAHWBJT-PWSUYJOCSA-N 1 0 388.693 2.545 20 0 GFADRO C[C@@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH2+]CCn1cncn1 ZINC000285465754 563522220 /nfs/dbraw/zinc/52/22/20/563522220.db2.gz NJUYUCPHDBYHDT-JTQLQIEISA-N 1 0 375.782 2.957 20 0 GFADRO O[C@@H](C[NH2+]CCOCc1ccccc1)COc1cccc(Br)c1 ZINC000390255573 563522998 /nfs/dbraw/zinc/52/29/98/563522998.db2.gz WLCVEWZPVNDPKU-KRWDZBQOSA-N 1 0 380.282 2.995 20 0 GFADRO C[C@H](CNS(=O)(=O)c1cc(Cl)ccc1Br)[N@H+](C)C1CC1 ZINC000429819958 563524257 /nfs/dbraw/zinc/52/42/57/563524257.db2.gz WMNLVUNCUCTRGM-SECBINFHSA-N 1 0 381.723 2.864 20 0 GFADRO O=C(C[NH2+]Cc1ccc(OC(F)(F)F)c(Br)c1)NCC1CC1 ZINC000392952777 563527970 /nfs/dbraw/zinc/52/79/70/563527970.db2.gz DSTQUCZZNQHVSJ-UHFFFAOYSA-N 1 0 381.192 2.964 20 0 GFADRO COc1sc(C[NH2+]CC2(S(C)(=O)=O)CCCC2)cc1Br ZINC000285633004 563529973 /nfs/dbraw/zinc/52/99/73/563529973.db2.gz YRYCBJFHSHTPPR-UHFFFAOYSA-N 1 0 382.345 2.966 20 0 GFADRO O=C(NCCC[NH+]1CCCC1)C1CCN(C(=O)c2sccc2Cl)CC1 ZINC000285671086 563531315 /nfs/dbraw/zinc/53/13/15/563531315.db2.gz UHJTVTPWEGUFOX-UHFFFAOYSA-N 1 0 383.945 2.856 20 0 GFADRO C[C@@H]1C[C@@H](C)N(C(=O)c2ccc(F)cc2I)C[C@H]1C[NH3+] ZINC000397336173 563531986 /nfs/dbraw/zinc/53/19/86/563531986.db2.gz BTHQNBMRTYOIAY-GMTAPVOTSA-N 1 0 390.240 2.876 20 0 GFADRO C[C@H](Cc1ccc(Br)cc1)C(=O)N1C[C@@H](N2CCOCC2)C[C@@H]1C ZINC000285685076 563532373 /nfs/dbraw/zinc/53/23/73/563532373.db2.gz GOLMLMANHKNSAD-VKJFTORMSA-N 1 0 395.341 2.949 20 0 GFADRO COc1cc(Cl)c(C[NH2+][C@H]2CCCC[C@H]2NS(C)(=O)=O)cc1Cl ZINC000331030245 563532511 /nfs/dbraw/zinc/53/25/11/563532511.db2.gz YUXDLOXEFAGZIV-UONOGXRCSA-N 1 0 381.325 2.952 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCN(S(C)(=O)=O)C1)c1cc2cc(Br)ccc2o1 ZINC000400102161 563534618 /nfs/dbraw/zinc/53/46/18/563534618.db2.gz BAVGICYPAQXACF-GXFFZTMASA-N 1 0 387.299 2.880 20 0 GFADRO CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@H](CO)Cc1ccccc1Br ZINC000430131700 563534742 /nfs/dbraw/zinc/53/47/42/563534742.db2.gz YLJCNFBTCJMLCS-ZIAGYGMSSA-N 1 0 385.346 2.883 20 0 GFADRO CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](CO)Cc1cccc(Br)c1 ZINC000430138997 563535217 /nfs/dbraw/zinc/53/52/17/563535217.db2.gz ZZADQEXEJNPATA-RDJZCZTQSA-N 1 0 383.330 2.591 20 0 GFADRO C[C@]1(CO)CCC[C@H]1[NH2+]CC(=O)Nc1c(F)cc(F)cc1Br ZINC000331144908 563537177 /nfs/dbraw/zinc/53/71/77/563537177.db2.gz GUYKLIZMZMWDDQ-IUODEOHRSA-N 1 0 377.229 2.807 20 0 GFADRO CC(C)[NH+]1CCC(C(=O)NC[C@@H](CO)Cc2ccccc2Br)CC1 ZINC000430159110 563537292 /nfs/dbraw/zinc/53/72/92/563537292.db2.gz HHOYZBNUADXFNM-HNNXBMFYSA-N 1 0 397.357 2.837 20 0 GFADRO COc1ccc(Br)cc1S(=O)(=O)N1CCCC[C@@H]1C[NH+](C)C ZINC000405072343 563537884 /nfs/dbraw/zinc/53/78/84/563537884.db2.gz GAUVWYPSNANGBP-CYBMUJFWSA-N 1 0 391.331 2.563 20 0 GFADRO C[C@@H]1C[C@@H](O)C[C@H](C)[N@H+]1C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000331181608 563539082 /nfs/dbraw/zinc/53/90/82/563539082.db2.gz LURXVRNVHASMHX-JLUCKKNBSA-N 1 0 376.266 2.562 20 0 GFADRO COc1cc(Br)ccc1CNC(=O)N1CCC(C[NH+](C)C)CC1 ZINC000430282766 563540200 /nfs/dbraw/zinc/54/02/00/563540200.db2.gz GUFJYPFVZMXLCA-UHFFFAOYSA-N 1 0 384.318 2.941 20 0 GFADRO O=C(C[C@@H]1C[NH2+]CCO1)NCCCCSc1ccccc1Br ZINC000430382518 563542577 /nfs/dbraw/zinc/54/25/77/563542577.db2.gz DIBLZEJPLVFBNL-CYBMUJFWSA-N 1 0 387.343 2.816 20 0 GFADRO [NH3+]CC[C@@H]1CCCCN1C(=O)c1cc(F)ccc1I ZINC000285953996 563543276 /nfs/dbraw/zinc/54/32/76/563543276.db2.gz GNCMAZFUXJXCNY-NSHDSACASA-N 1 0 376.213 2.774 20 0 GFADRO CC(C)(C(=O)NC[C@@H]1CCCC[N@@H+]1CCO)c1cccc(Br)c1 ZINC000331300166 563544260 /nfs/dbraw/zinc/54/42/60/563544260.db2.gz DTDBFCHMIWHDIQ-INIZCTEOSA-N 1 0 383.330 2.690 20 0 GFADRO CCOC[C@H]([NH2+]CC(=O)Nc1ccccc1I)C(C)C ZINC000285980043 563544354 /nfs/dbraw/zinc/54/43/54/563544354.db2.gz FGFYZLNUWPALFE-AWEZNQCLSA-N 1 0 390.265 2.880 20 0 GFADRO CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)cc1Cl ZINC000331300560 563544523 /nfs/dbraw/zinc/54/45/23/563544523.db2.gz PJIGMSYERZKPBY-OLZOCXBDSA-N 1 0 387.933 2.697 20 0 GFADRO C[C@@H]1C[C@H](N2CCOCC2)C[N@@H+]1C[C@@H](O)COc1cc(Cl)ccc1Cl ZINC000286021908 563546003 /nfs/dbraw/zinc/54/60/03/563546003.db2.gz PWLRFRQQLGLYNV-VNQPRFMTSA-N 1 0 389.323 2.528 20 0 GFADRO C[C@@H](C(=O)Nc1cccc(I)c1)N(C)CC(C)(C)C[NH3+] ZINC000430575350 563546041 /nfs/dbraw/zinc/54/60/41/563546041.db2.gz QONGRYCXPUCANM-NSHDSACASA-N 1 0 389.281 2.535 20 0 GFADRO CCN(Cc1ccc(Cl)s1)C(=O)C(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000286047354 563546520 /nfs/dbraw/zinc/54/65/20/563546520.db2.gz VINJGUSLHOVKQT-AWEZNQCLSA-N 1 0 385.961 2.987 20 0 GFADRO CCOCCCC[NH2+][C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430690919 563547334 /nfs/dbraw/zinc/54/73/34/563547334.db2.gz JMFFDSQCGVDPFB-NSHDSACASA-N 1 0 379.320 2.564 20 0 GFADRO C[C@H](C[C@H]1CCCO1)[NH2+][C@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430709016 563548101 /nfs/dbraw/zinc/54/81/01/563548101.db2.gz LVHPEGSRWRUVQX-NQBHXWOUSA-N 1 0 391.331 2.705 20 0 GFADRO CC(C)COCCC[NH2+][C@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430698819 563548212 /nfs/dbraw/zinc/54/82/12/563548212.db2.gz NZXVPKGRVZIHJX-GFCCVEGCSA-N 1 0 393.347 2.810 20 0 GFADRO C[C@@H]([NH2+][C@@H](C)Cc1ccncc1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430724930 563548323 /nfs/dbraw/zinc/54/83/23/563548323.db2.gz WDLUSRQNXCEGNG-NWDGAFQWSA-N 1 0 398.326 2.773 20 0 GFADRO Brc1cccc(Cc2noc(CN3CCC4(CC[NH2+]C4)CC3)n2)c1 ZINC000431019322 563551694 /nfs/dbraw/zinc/55/16/94/563551694.db2.gz NXYCFNJQMZNSNU-UHFFFAOYSA-N 1 0 391.313 2.998 20 0 GFADRO COc1cc(C(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)cc(Br)c1OC ZINC000331532546 563552574 /nfs/dbraw/zinc/55/25/74/563552574.db2.gz PMVHPPOJHQXFSD-CMPLNLGQSA-N 1 0 383.286 2.821 20 0 GFADRO COc1cc(C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)cc(Br)c1OC ZINC000331591378 563554066 /nfs/dbraw/zinc/55/40/66/563554066.db2.gz XVSXPVXTEJRVIU-IINYFYTJSA-N 1 0 383.286 2.679 20 0 GFADRO Cc1ccc(-c2csc(NC(=O)C(=O)N3CCC([NH+](C)C)CC3)n2)s1 ZINC000331582662 563554495 /nfs/dbraw/zinc/55/44/95/563554495.db2.gz NOLHELFSZAQHBJ-UHFFFAOYSA-N 1 0 378.523 2.671 20 0 GFADRO O=C1[C@H](N2CC[C@@H](C(F)(F)F)[C@H](CO)C2)CCN1c1cccc(Cl)c1 ZINC000286314675 563555711 /nfs/dbraw/zinc/55/57/11/563555711.db2.gz DCBCZFLCZSBPQC-NILFDRSVSA-N 1 0 376.806 2.938 20 0 GFADRO C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)Nc1ccnn1-c1ccc(Br)cn1 ZINC000408455434 563557080 /nfs/dbraw/zinc/55/70/80/563557080.db2.gz YKWIDOXSUKTFPY-NWDGAFQWSA-N 1 0 393.289 2.586 20 0 GFADRO C[C@H]1C[C@H](N(C)C(=O)C(=O)NCCc2cc(Cl)cc(Cl)c2)CC[N@@H+]1C ZINC000286429715 563560053 /nfs/dbraw/zinc/56/00/53/563560053.db2.gz HBGAXVABODMUKD-BLLLJJGKSA-N 1 0 386.323 2.593 20 0 GFADRO Cc1[nH]c(=O)c(Br)cc1C(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000286452959 563561045 /nfs/dbraw/zinc/56/10/45/563561045.db2.gz MOXUKLPMBHNPIH-UHFFFAOYSA-N 1 0 382.302 2.949 20 0 GFADRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)Cn2cc(Br)cn2)C1 ZINC000409453363 563561448 /nfs/dbraw/zinc/56/14/48/563561448.db2.gz NXTKEPALYGCHSO-XJKSGUPXSA-N 1 0 377.286 2.597 20 0 GFADRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)NCCn1cc(Br)cn1 ZINC000286497940 563562520 /nfs/dbraw/zinc/56/25/20/563562520.db2.gz DGTZIMAGBNEFQX-AWEZNQCLSA-N 1 0 386.338 2.599 20 0 GFADRO CC[S@](=O)[C@H]1CCC[C@@H]([NH2+]Cc2ncc(I)s2)C1 ZINC000286515349 563563153 /nfs/dbraw/zinc/56/31/53/563563153.db2.gz NADCXGKUDDVNHJ-JJQCHNSYSA-N 1 0 398.335 2.917 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)c(Br)c1 ZINC000431717638 563567356 /nfs/dbraw/zinc/56/73/56/563567356.db2.gz FYHUHPJYIHJEJN-STQMWFEESA-N 1 0 394.313 2.746 20 0 GFADRO C[N@@H+]1CCCC[C@@H]1CCC(=O)NCCNC(=O)c1cccc(Br)c1 ZINC000431771919 563568665 /nfs/dbraw/zinc/56/86/65/563568665.db2.gz OZYWOQGSUXSLTP-MRXNPFEDSA-N 1 0 396.329 2.560 20 0 GFADRO C[C@H](Oc1ccc(I)cc1)C(=O)NCC[NH2+]C(C)(C)C ZINC000409713959 563569560 /nfs/dbraw/zinc/56/95/60/563569560.db2.gz DUMLTMWJSYKRQG-NSHDSACASA-N 1 0 390.265 2.563 20 0 GFADRO CS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ncc(C3CC[NH2+]CC3)s2)c1 ZINC000286749379 563573741 /nfs/dbraw/zinc/57/37/41/563573741.db2.gz LNLJBVGSSHQADZ-UHFFFAOYSA-N 1 0 399.925 2.919 20 0 GFADRO C[C@@H]1[C@H](NC(=O)C2(c3ccc(I)cc3)CC2)CCC[N@@H+]1C ZINC000409960500 563576051 /nfs/dbraw/zinc/57/60/51/563576051.db2.gz NFNGERQLHRJMHG-IUODEOHRSA-N 1 0 398.288 2.922 20 0 GFADRO CC1(C)NC(=O)N(CC[NH+]2CCC(c3cccc(Br)c3)CC2)C1=O ZINC000332126855 563578500 /nfs/dbraw/zinc/57/85/00/563578500.db2.gz JBTHVDFPQPLASF-UHFFFAOYSA-N 1 0 394.313 2.959 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc1Br ZINC000332274146 563589802 /nfs/dbraw/zinc/58/98/02/563589802.db2.gz BAPOFUGBYCRFLN-YDHLFZDLSA-N 1 0 394.313 2.590 20 0 GFADRO CN(C(=O)CN(Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2)c1nccs1 ZINC000432669523 563590359 /nfs/dbraw/zinc/59/03/59/563590359.db2.gz LAZVTVLWXIRSCC-OAHLLOKOSA-N 1 0 376.551 2.812 20 0 GFADRO COCC1(C)C[NH+](C[C@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000432734854 563591961 /nfs/dbraw/zinc/59/19/61/563591961.db2.gz YDUVDAGSEMAGBI-LBPRGKRZSA-N 1 0 378.694 2.811 20 0 GFADRO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NCc1nn(C)cc1Br ZINC000432802763 563593928 /nfs/dbraw/zinc/59/39/28/563593928.db2.gz DZOGBTRKNCTFHL-BBRMVZONSA-N 1 0 378.318 2.578 20 0 GFADRO Cc1cc(Br)cn2cc(CNC(=O)N3C[C@@H](C)[N@H+](C)[C@@H](C)C3)nc12 ZINC000332354837 563595045 /nfs/dbraw/zinc/59/50/45/563595045.db2.gz VQVFVLHUTPFDST-BETUJISGSA-N 1 0 394.317 2.639 20 0 GFADRO O=S1(=O)CC[C@@H]([NH2+]CC2(O)CCCCC2)c2cc(Br)ccc21 ZINC000332349148 563595103 /nfs/dbraw/zinc/59/51/03/563595103.db2.gz MWTMAVCCMQBNEU-CQSZACIVSA-N 1 0 388.327 2.952 20 0 GFADRO C[C@@H]1C[N@H+](CCCNc2ncccc2I)CCCO1 ZINC000432857470 563595310 /nfs/dbraw/zinc/59/53/10/563595310.db2.gz DCAQCDDDCLAEAY-GFCCVEGCSA-N 1 0 375.254 2.599 20 0 GFADRO O=C([C@H]1CC[N@@H+](C[C@@H](O)COc2cc(Cl)ccc2Cl)C1)N1CCCC1 ZINC000287501353 563604628 /nfs/dbraw/zinc/60/46/28/563604628.db2.gz UCBAKLOKHGXEIW-DZGCQCFKSA-N 1 0 387.307 2.677 20 0 GFADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)Nc1cc(F)c(Br)c(Cl)c1 ZINC000287518018 563605113 /nfs/dbraw/zinc/60/51/13/563605113.db2.gz VDAXFGIIZFOBTQ-JTQLQIEISA-N 1 0 393.688 2.609 20 0 GFADRO CNC(=O)c1cccc(NC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)c1Br ZINC000287525465 563605829 /nfs/dbraw/zinc/60/58/29/563605829.db2.gz VRECQSFYRWAGDL-TZMCWYRMSA-N 1 0 395.301 2.557 20 0 GFADRO C[NH+](C)C(C)(C)CNC(=O)C(=O)N[C@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000411124341 563606881 /nfs/dbraw/zinc/60/68/81/563606881.db2.gz GLSLSTKQQLHIOS-GFCCVEGCSA-N 1 0 379.810 2.516 20 0 GFADRO CC(C)[C@@H]1CN([C@H]2CCN(c3cccc(Br)c3)C2=O)CC[N@@H+]1C ZINC000433240317 563607506 /nfs/dbraw/zinc/60/75/06/563607506.db2.gz AQRMYCHZAQCSIB-IRXDYDNUSA-N 1 0 380.330 2.826 20 0 GFADRO CNc1cc(I)ccc1C(=O)NCC(C)(C)C[NH+](C)C ZINC000411154223 563607728 /nfs/dbraw/zinc/60/77/28/563607728.db2.gz DGYBHYZHOSPRQU-UHFFFAOYSA-N 1 0 389.281 2.651 20 0 GFADRO O=C(CC[N@H+]1CC[C@@H](Cc2ccc(Br)cc2)C1)N1CCOCC1 ZINC000433315412 563609066 /nfs/dbraw/zinc/60/90/66/563609066.db2.gz YIVYYHISBNFNPD-INIZCTEOSA-N 1 0 381.314 2.562 20 0 GFADRO CC(C)(C)NC(=O)NC(=O)C[N@@H+]1CC[C@@H](Cc2ccc(Br)cc2)C1 ZINC000433301231 563609183 /nfs/dbraw/zinc/60/91/83/563609183.db2.gz GTBHDKIQSFSFDN-AWEZNQCLSA-N 1 0 396.329 2.938 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)c2cnn(-c3cccc(Br)c3)c2)CC[N@@H+]1C ZINC000332654086 563610213 /nfs/dbraw/zinc/61/02/13/563610213.db2.gz JBAPGSBNYRBQBY-IUODEOHRSA-N 1 0 377.286 2.847 20 0 GFADRO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1cc(N(C)C)c(Br)cn1 ZINC000332678511 563610967 /nfs/dbraw/zinc/61/09/67/563610967.db2.gz OMTVNWPZMNISJV-NEPJUHHUSA-N 1 0 382.306 2.611 20 0 GFADRO Cc1c(C(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)nnn1-c1cccc(Br)c1 ZINC000332677685 563611029 /nfs/dbraw/zinc/61/10/29/563611029.db2.gz RQOQDAZEZTWYBQ-FZMZJTMJSA-N 1 0 392.301 2.551 20 0 GFADRO CC(C)(C)OC(=O)[C@](C)(O)C[NH2+][C@@H]1CCc2cc(Br)ccc2C1 ZINC000332691885 563611738 /nfs/dbraw/zinc/61/17/38/563611738.db2.gz QWAZRHTZARWLRZ-CRAIPNDOSA-N 1 0 384.314 2.989 20 0 GFADRO CC(C)(C)OC(=O)[C@@](C)(O)C[NH2+][C@H]1CCc2cc(Br)ccc2C1 ZINC000332691908 563611767 /nfs/dbraw/zinc/61/17/67/563611767.db2.gz QWAZRHTZARWLRZ-YJBOKZPZSA-N 1 0 384.314 2.989 20 0 GFADRO C[C@H]1C[C@@H](NS(=O)(=O)c2cc(Br)sc2Cl)CC[N@@H+]1C ZINC000433659125 563617811 /nfs/dbraw/zinc/61/78/11/563617811.db2.gz JJHQJTSRHRHFJM-YUMQZZPRSA-N 1 0 387.752 2.925 20 0 GFADRO C[C@@H]1CN(C(=O)c2n[nH]c3ccc(Br)cc32)CC[N@@H+](C2CC2)C1 ZINC000333126166 563621246 /nfs/dbraw/zinc/62/12/46/563621246.db2.gz WBHZDZYIGXLTMQ-NSHDSACASA-N 1 0 377.286 2.882 20 0 GFADRO CC[C@@H](NCC(=O)NC1CC[NH+](CC)CC1)c1nc(C(F)(F)F)cs1 ZINC000411512693 563621553 /nfs/dbraw/zinc/62/15/53/563621553.db2.gz BNTXYXOUWPPZFD-GFCCVEGCSA-N 1 0 378.464 2.803 20 0 GFADRO C[C@@H](C[NH+](C)C)NC(=O)NCC1(c2ccc(Br)cc2)CCOCC1 ZINC000287888276 563621610 /nfs/dbraw/zinc/62/16/10/563621610.db2.gz ZSKPMYYCKDYMRR-AWEZNQCLSA-N 1 0 398.345 2.747 20 0 GFADRO CC[NH+]1CCC(NC(=O)CNC(C)(C)c2nc(C(F)(F)F)cs2)CC1 ZINC000411538743 563622554 /nfs/dbraw/zinc/62/25/54/563622554.db2.gz LDBXMKJIGBDRDS-UHFFFAOYSA-N 1 0 378.464 2.587 20 0 GFADRO Cn1cc(Br)c(CNC(=O)NC2CC[NH+](C3CCCCC3)CC2)n1 ZINC000333159422 563622696 /nfs/dbraw/zinc/62/26/96/563622696.db2.gz HANPTLMRZGGPDT-UHFFFAOYSA-N 1 0 398.349 2.779 20 0 GFADRO Cc1nn(C)c(NC(=O)N2CC[NH2+]C[C@H]2C)c1-c1ccc(Br)cc1 ZINC000333170070 563622739 /nfs/dbraw/zinc/62/27/39/563622739.db2.gz PQQOUTFVYSWJFH-LLVKDONJSA-N 1 0 392.301 2.984 20 0 GFADRO CCO[C@H]1COCC[C@H]1[NH2+]CCC(=O)Nc1ccc(Br)cc1F ZINC000411557833 563623834 /nfs/dbraw/zinc/62/38/34/563623834.db2.gz KLUFQRYWTYJHLK-CABCVRRESA-N 1 0 389.265 2.700 20 0 GFADRO [NH3+][C@@H]1CN(S(=O)(=O)C[C@@H]2CCCCC2(F)F)C[C@H]1c1ccccc1F ZINC000333192717 563624159 /nfs/dbraw/zinc/62/41/59/563624159.db2.gz AGCRUKKWONXHCX-DUVNUKRYSA-N 1 0 376.444 2.708 20 0 GFADRO CS[C@H]1CN(c2ccc(S(=O)(=O)C(C)(C)C)nc2)C[C@H]1[NH+]1CCCC1 ZINC000333205684 563624177 /nfs/dbraw/zinc/62/41/77/563624177.db2.gz ONAYBZVDVLKAHP-CVEARBPZSA-N 1 0 383.583 2.670 20 0 GFADRO COc1ccc(Br)c(C(=O)N2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)c1 ZINC000333232544 563625636 /nfs/dbraw/zinc/62/56/36/563625636.db2.gz CHWRZUAXVJWBIU-CXAGYDPISA-N 1 0 397.313 2.816 20 0 GFADRO CS[C@@H]1CN(c2cc(Br)cnc2C(N)=O)C[C@@H]1[NH+]1CCCC1 ZINC000333255619 563626203 /nfs/dbraw/zinc/62/62/03/563626203.db2.gz ZIDGBNWYVVWYGL-QWHCGFSZSA-N 1 0 385.331 2.743 20 0 GFADRO O=C(N[C@@H]1CCOc2ccc(Br)cc21)N1CCC2(CC[NH2+]2)CC1 ZINC000333282948 563626679 /nfs/dbraw/zinc/62/66/79/563626679.db2.gz MTRLUNKKQCBECG-CQSZACIVSA-N 1 0 380.286 2.810 20 0 GFADRO C[NH+](C)C1(CNC(=O)c2ncsc2Br)Cc2ccccc2C1 ZINC000288125610 563630154 /nfs/dbraw/zinc/63/01/54/563630154.db2.gz YMMAYBYVSVMCOC-UHFFFAOYSA-N 1 0 380.311 2.735 20 0 GFADRO C[C@@H]([NH2+]CC(=O)N(C)Cc1cccs1)C1CCN(CC(F)(F)F)CC1 ZINC000411691569 563630269 /nfs/dbraw/zinc/63/02/69/563630269.db2.gz NOABNJHSVZPOIO-CYBMUJFWSA-N 1 0 377.476 2.959 20 0 GFADRO C[C@](CO)([NH2+]CCC(=O)Nc1ccc(Br)cc1)c1cccc(O)c1 ZINC000411737958 563632354 /nfs/dbraw/zinc/63/23/54/563632354.db2.gz RPOZOXIAXDJPRG-GOSISDBHSA-N 1 0 393.281 2.981 20 0 GFADRO O=C(NC[C@H]1CCCC[N@@H+]1C1CC1)C(=O)Nc1ccc(Br)c(F)c1 ZINC000434555513 563632448 /nfs/dbraw/zinc/63/24/48/563632448.db2.gz JRVDCCQDKCJIAG-CYBMUJFWSA-N 1 0 398.276 2.660 20 0 GFADRO [NH3+][C@H]1CCCO[C@@H]1C1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000333665981 563638584 /nfs/dbraw/zinc/63/85/84/563638584.db2.gz MJCJSEKZUYJCBY-JKSUJKDBSA-N 1 0 393.336 2.900 20 0 GFADRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)NCC3(c4ccccc4Br)CC3)C[C@H]12 ZINC000333685391 563639321 /nfs/dbraw/zinc/63/93/21/563639321.db2.gz ZZQLCIMCZWPKLZ-HEHGZKQESA-N 1 0 378.314 2.859 20 0 GFADRO CCOC(=O)c1sc2ccsc2c1CNC(=O)C[C@@H]1CSCC[NH2+]1 ZINC000434871945 563639662 /nfs/dbraw/zinc/63/96/62/563639662.db2.gz YHUPEVSLCQKYAA-SNVBAGLBSA-N 1 0 384.548 2.851 20 0 GFADRO Cc1cc(S(=O)(=O)N2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)sc1Cl ZINC000333709017 563639950 /nfs/dbraw/zinc/63/99/50/563639950.db2.gz RYZRQDYZWAFVOY-JSGCOSHPSA-N 1 0 378.947 2.617 20 0 GFADRO C[C@@]1(CNC(=O)N[C@H]2COc3cc(F)c(Br)cc32)CCC[NH2+]C1 ZINC000333744190 563640709 /nfs/dbraw/zinc/64/07/09/563640709.db2.gz JFNSJJAICXEDHK-XJKSGUPXSA-N 1 0 386.265 2.711 20 0 GFADRO [NH3+][C@H]1CCO[C@@H](C2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)C1 ZINC000333724648 563640736 /nfs/dbraw/zinc/64/07/36/563640736.db2.gz VFHCPUUQIYFOFH-SWLSCSKDSA-N 1 0 393.336 2.900 20 0 GFADRO C[C@@]1(CNC(=O)N2CCOc3ccc(Br)cc3C2)CCC[NH2+]C1 ZINC000333876004 563644376 /nfs/dbraw/zinc/64/43/76/563644376.db2.gz VHQNYCGNGVSOIT-QGZVFWFLSA-N 1 0 382.302 2.743 20 0 GFADRO C[C@@H](CNS(=O)(=O)c1cc(F)ccc1Br)[N@@H+]1CCC[C@H](C)C1 ZINC000435214365 563645212 /nfs/dbraw/zinc/64/52/12/563645212.db2.gz DYLZQZBNWKQMDP-RYUDHWBXSA-N 1 0 393.322 2.987 20 0 GFADRO CN(C)c1cc(NC(=O)N2CCO[C@@H](C3CCC3)C2)ncc1Br ZINC000333937508 563645703 /nfs/dbraw/zinc/64/57/03/563645703.db2.gz LPSLUKHPGJMXCB-CQSZACIVSA-N 1 0 383.290 2.943 20 0 GFADRO CNC(=O)NC1CC[NH+](CCCc2ccc(Br)cc2OC)CC1 ZINC000412056796 563645880 /nfs/dbraw/zinc/64/58/80/563645880.db2.gz VAYICROTJNNCJE-UHFFFAOYSA-N 1 0 384.318 2.784 20 0 GFADRO O=C(N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)N[C@H]1CCOc2ccc(Br)cc21 ZINC000333948881 563646442 /nfs/dbraw/zinc/64/64/42/563646442.db2.gz WTBFAMVVIJNHFK-NCZKRNLISA-N 1 0 394.313 2.960 20 0 GFADRO O=C(CCNc1ncc(C(F)(F)F)cc1Cl)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000435239118 563646773 /nfs/dbraw/zinc/64/67/73/563646773.db2.gz IUHKEJYMAPSSIV-LBPRGKRZSA-N 1 0 376.810 2.909 20 0 GFADRO COCC[C@H](Cc1cccc(Br)c1)C(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000435242833 563647040 /nfs/dbraw/zinc/64/70/40/563647040.db2.gz OKRCMJYFEZZACU-QAPCUYQASA-N 1 0 395.341 2.997 20 0 GFADRO CC(C)[N@H+](CCC(=O)Nc1ccc(Br)cc1)C[C@@H]1CCC(=O)N1 ZINC000412079963 563647814 /nfs/dbraw/zinc/64/78/14/563647814.db2.gz NJFVBBKQVMMTIA-HNNXBMFYSA-N 1 0 382.302 2.767 20 0 GFADRO CO[C@@H]1CCN(Cc2nc(-c3cccc(Br)c3)c[nH]2)[C@@H](C[NH3+])C1 ZINC000435382219 563649044 /nfs/dbraw/zinc/64/90/44/563649044.db2.gz CFZYWDWYBSVHSJ-HUUCEWRRSA-N 1 0 379.302 2.777 20 0 GFADRO Cn1ccnc1CN(Cc1ccc(Br)cn1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435433002 563650100 /nfs/dbraw/zinc/65/01/00/563650100.db2.gz LOHGJHVEKLCLPB-MRXNPFEDSA-N 1 0 390.329 2.722 20 0 GFADRO COc1ccc(S(=O)(=O)N[C@@H]2CCC[N@@H+](C(C)C)C2)c(Br)c1 ZINC000435438872 563650886 /nfs/dbraw/zinc/65/08/86/563650886.db2.gz QCNFILMBBISEFD-GFCCVEGCSA-N 1 0 391.331 2.609 20 0 GFADRO C[NH+](C)CCOC1CCN(S(=O)(=O)c2c(Cl)cc(F)cc2Cl)CC1 ZINC000435443308 563651247 /nfs/dbraw/zinc/65/12/47/563651247.db2.gz NMHYYEZGSWVHKM-UHFFFAOYSA-N 1 0 399.315 2.864 20 0 GFADRO Cc1ccc(S(=O)(=O)N[C@@H]2CCC[N@@H+](C(C)C)C2)cc1Br ZINC000435447493 563651974 /nfs/dbraw/zinc/65/19/74/563651974.db2.gz POQITKCBZIYKSK-CYBMUJFWSA-N 1 0 375.332 2.909 20 0 GFADRO COCc1nc(C(=O)N(Cc2nccs2)[C@@H]2CC23CC[NH2+]CC3)cs1 ZINC000435570776 563653557 /nfs/dbraw/zinc/65/35/57/563653557.db2.gz YSIKTASTGFSKKO-CYBMUJFWSA-N 1 0 378.523 2.531 20 0 GFADRO COC(=O)c1cc(S(=O)(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)cs1 ZINC000435642377 563655608 /nfs/dbraw/zinc/65/56/08/563655608.db2.gz UHHLGORQEHXSSK-AWEZNQCLSA-N 1 0 386.539 2.610 20 0 GFADRO CC(=O)c1ccc(NC(=O)CC[N@H+](C)CCn2cc(Br)cn2)cc1 ZINC000288794709 563657750 /nfs/dbraw/zinc/65/77/50/563657750.db2.gz LJFFILCRIOMJMF-UHFFFAOYSA-N 1 0 393.285 2.809 20 0 GFADRO OC[C@@H]([NH2+]Cc1ccc(I)c(Cl)c1)[C@H]1CCCO1 ZINC000436114930 563664763 /nfs/dbraw/zinc/66/47/63/563664763.db2.gz MNLBYDHIIYYOOL-CHWSQXEVSA-N 1 0 381.641 2.574 20 0 GFADRO [NH3+]C[C@H]1CC[C@H](CNC(=O)c2ccc(F)cc2I)CC1 ZINC000289171763 563670810 /nfs/dbraw/zinc/67/08/10/563670810.db2.gz HRWVKEOCIPVNTG-XYPYZODXSA-N 1 0 390.240 2.925 20 0 GFADRO Cc1ncsc1CCS(=O)(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000289182275 563670994 /nfs/dbraw/zinc/67/09/94/563670994.db2.gz PUQVCZMRWVIXEH-UHFFFAOYSA-N 1 0 379.551 2.578 20 0 GFADRO Brc1ccccc1CN1CCC([NH2+]CCN2CCCOCC2)CC1 ZINC000289449923 563674570 /nfs/dbraw/zinc/67/45/70/563674570.db2.gz NBABCHFUFJKTQV-UHFFFAOYSA-N 1 0 396.373 2.725 20 0 GFADRO C[C@@H]([NH2+]C[C@](C)(O)CNC(=O)OC(C)(C)C)c1ccc(Br)cn1 ZINC000289469649 563674973 /nfs/dbraw/zinc/67/49/73/563674973.db2.gz WUVSCNJQIDQBRL-BZNIZROVSA-N 1 0 388.306 2.770 20 0 GFADRO COCCC[N@H+](C)CCNC(=O)c1nc2ccccc2cc1Br ZINC000289539681 563677957 /nfs/dbraw/zinc/67/79/57/563677957.db2.gz QLBCKTQKZYTPKJ-UHFFFAOYSA-N 1 0 380.286 2.695 20 0 GFADRO CC1(C)C[C@H]([NH2+]CCCn2cc(CO)nn2)c2cc(Br)ccc21 ZINC000289685822 563682975 /nfs/dbraw/zinc/68/29/75/563682975.db2.gz HYQDRTQBEHRERH-INIZCTEOSA-N 1 0 379.302 2.935 20 0 GFADRO COC1CC[NH+](C(C)(C)CNC(=O)c2cc(Br)ccc2O)CC1 ZINC000436862657 563683318 /nfs/dbraw/zinc/68/33/18/563683318.db2.gz FUIDKMPGKHSNJV-UHFFFAOYSA-N 1 0 385.302 2.774 20 0 GFADRO CC[N@@H+]1CC[C@@H](CNC(=O)C2(c3cccc(Br)c3)CC(=O)C2)C1 ZINC000289694253 563683680 /nfs/dbraw/zinc/68/36/80/563683680.db2.gz SQPAGHZDNVGKOE-ZDUSSCGKSA-N 1 0 379.298 2.508 20 0 GFADRO COc1c(Cl)cc(Cl)cc1C[N@@H+]1CCC[C@@H]1C[C@]1(C)NC(=O)NC1=O ZINC000289761947 563685953 /nfs/dbraw/zinc/68/59/53/563685953.db2.gz QYXQQHHVNLNHPI-PXAZEXFGSA-N 1 0 386.279 2.955 20 0 GFADRO CN(CC[NH2+]CCSCc1ccccc1)S(=O)(=O)c1ccc(F)cc1 ZINC000437254942 563691912 /nfs/dbraw/zinc/69/19/12/563691912.db2.gz AUNPRNQVUJNYEY-UHFFFAOYSA-N 1 0 382.526 2.969 20 0 GFADRO C[N@@H+]1CC[C@@H](CNS(=O)(=O)CC2CCOCC2)[C@@H]1c1cccc(Cl)c1 ZINC000361035191 563695867 /nfs/dbraw/zinc/69/58/67/563695867.db2.gz YRDSXAINTVLBPT-WMZOPIPTSA-N 1 0 386.945 2.679 20 0 GFADRO NC(=O)[C@H]([NH2+]C[C@H]1CC(=O)Nc2ccccc21)c1ccc(Br)cc1 ZINC000361038018 563695936 /nfs/dbraw/zinc/69/59/36/563695936.db2.gz YCTANMDFFYOCSK-SJKOYZFVSA-N 1 0 388.265 2.691 20 0 GFADRO C[C@H](Cc1ccc(F)cc1Br)[NH2+]C1CCC2(CC1)NC(=O)NC2=O ZINC000290095017 563697946 /nfs/dbraw/zinc/69/79/46/563697946.db2.gz JVJMIDXYTLYSOB-OPFFKBQKSA-N 1 0 398.276 2.630 20 0 GFADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000437720708 563698520 /nfs/dbraw/zinc/69/85/20/563698520.db2.gz HAUXCXOKRLRMFO-YESZJQIVSA-N 1 0 396.329 2.715 20 0 GFADRO O=S1(=O)CCC[C@H](C[NH2+]Cc2cc(Br)ccc2OC(F)F)C1 ZINC000290146648 563699377 /nfs/dbraw/zinc/69/93/77/563699377.db2.gz OODHYGOWGOMRJM-SNVBAGLBSA-N 1 0 398.269 2.965 20 0 GFADRO COC(=O)[C@H](C)Oc1ccc(C[NH2+]CCCn2cc(Br)cn2)cc1 ZINC000290147082 563699642 /nfs/dbraw/zinc/69/96/42/563699642.db2.gz KWZZXYBADFNIKN-ZDUSSCGKSA-N 1 0 396.285 2.766 20 0 GFADRO O=C(Cc1cccc(I)c1)Nc1cnc2c(c1)C[NH2+]CC2 ZINC000361696117 563701314 /nfs/dbraw/zinc/70/13/14/563701314.db2.gz NGFPIRLEMOGCTH-UHFFFAOYSA-N 1 0 393.228 2.513 20 0 GFADRO CC[C@@H](C(=O)N[C@](C)(CC(=O)OC)c1ccc(Br)cc1)[NH+](C)C ZINC000413746282 563705089 /nfs/dbraw/zinc/70/50/89/563705089.db2.gz KAZTXQQBJOOEQI-WMLDXEAASA-N 1 0 385.302 2.684 20 0 GFADRO Cn1cc(-c2nc(C(=O)N(CC[NH+](C)C)Cc3cccs3)cs2)cn1 ZINC000438460604 563705857 /nfs/dbraw/zinc/70/58/57/563705857.db2.gz NAMLQIPKVCIWGS-UHFFFAOYSA-N 1 0 375.523 2.809 20 0 GFADRO C[C@H](C[NH2+]C[C@@H]1CCC[C@@]12NC(=O)N(C)C2=O)c1cccc(Br)c1 ZINC000362407551 563707121 /nfs/dbraw/zinc/70/71/21/563707121.db2.gz KEYOCVMXNMYLRZ-UVBSCNOISA-N 1 0 394.313 2.863 20 0 GFADRO C[C@H]1C[N@H+](CCCNC(=O)c2cc(Cl)ncc2Br)CCCO1 ZINC000290391434 563707711 /nfs/dbraw/zinc/70/77/11/563707711.db2.gz JMBQOSVXLGKKPM-NSHDSACASA-N 1 0 390.709 2.728 20 0 GFADRO COC(=O)[C@H]1CN(C(=O)Cc2csc3ccc(Cl)cc23)CC[N@H+](C)C1 ZINC000413898232 563709620 /nfs/dbraw/zinc/70/96/20/563709620.db2.gz IIUIFMPJDFTENT-CYBMUJFWSA-N 1 0 380.897 2.660 20 0 GFADRO CC[NH+](CC)CC[C@H](CO)NC(=O)Nc1cc(OC)ccc1Br ZINC000439028241 563716337 /nfs/dbraw/zinc/71/63/37/563716337.db2.gz NKYFUULTWMBGKK-GFCCVEGCSA-N 1 0 388.306 2.672 20 0 GFADRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)CCc3cccc(Br)c3)CC2)C1 ZINC000363179658 563716694 /nfs/dbraw/zinc/71/66/94/563716694.db2.gz ORSSQISASIOPHG-GOSISDBHSA-N 1 0 394.357 2.620 20 0 GFADRO COc1ccc(OCC[NH2+][C@H](C)Cn2cc(Br)ccc2=O)cc1 ZINC000414060170 563717124 /nfs/dbraw/zinc/71/71/24/563717124.db2.gz JECQDZOZCIVZDR-CYBMUJFWSA-N 1 0 381.270 2.677 20 0 GFADRO CC(=O)Nc1ccc(C[NH2+][C@H](C)Cn2cc(Br)ccc2=O)cc1 ZINC000414057462 563717302 /nfs/dbraw/zinc/71/73/02/563717302.db2.gz FVRYBTSLYQVMOK-GFCCVEGCSA-N 1 0 378.270 2.748 20 0 GFADRO CCc1ccc([C@H](CO)[NH2+][C@H](C)Cn2cc(Br)ccc2=O)cc1 ZINC000414111831 563719371 /nfs/dbraw/zinc/71/93/71/563719371.db2.gz XMNKEAXPZBSHFD-DYVFJYSZSA-N 1 0 379.298 2.885 20 0 GFADRO COC[C@H](Cc1ccccc1)[NH2+][C@@H](C)Cn1cc(Br)ccc1=O ZINC000414121435 563720358 /nfs/dbraw/zinc/72/03/58/563720358.db2.gz ZNJKSSYAPHWFDO-YOEHRIQHSA-N 1 0 379.298 2.847 20 0 GFADRO CC[C@H](COCC(F)(F)F)[NH2+][C@H](C)Cn1cc(Br)ccc1=O ZINC000414141367 563721240 /nfs/dbraw/zinc/72/12/40/563721240.db2.gz MEAOKUIPAYFNEJ-ZYHUDNBSSA-N 1 0 385.224 2.946 20 0 GFADRO CCC(CC)(NCc1nccn1S(=O)(=O)N(C)C)c1ccc(Cl)cc1 ZINC000290788796 563721459 /nfs/dbraw/zinc/72/14/59/563721459.db2.gz CUXLSKWXWDKESR-UHFFFAOYSA-N 1 0 384.933 2.996 20 0 GFADRO Brc1ccc2c(c1)CC[C@H]2[NH2+]CC1(N2CCOCC2)CCOCC1 ZINC000414197164 563721728 /nfs/dbraw/zinc/72/17/28/563721728.db2.gz XQUZYCJMVZFNLI-GOSISDBHSA-N 1 0 395.341 2.907 20 0 GFADRO C[C@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH2+]C[C@@H]1CNC(=O)C1 ZINC000414188792 563721970 /nfs/dbraw/zinc/72/19/70/563721970.db2.gz DYXRISKJTJZULB-NXEZZACHSA-N 1 0 377.794 2.802 20 0 GFADRO O=C(C[NH+]1CCC(c2cccc(Br)c2)CC1)NC[C@@H]1CCCO1 ZINC000439334576 563722815 /nfs/dbraw/zinc/72/28/15/563722815.db2.gz XSKCTRVDMACYSA-KRWDZBQOSA-N 1 0 381.314 2.924 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+]CCCc2ccccc2)cc1Br ZINC000414241228 563723385 /nfs/dbraw/zinc/72/33/85/563723385.db2.gz LDBWOHCDCPTKQL-UHFFFAOYSA-N 1 0 383.311 2.819 20 0 GFADRO O[C@@H](COc1cc(F)cc(Br)c1)C[N@@H+]1CCOC2(CCCC2)C1 ZINC000439429127 563723836 /nfs/dbraw/zinc/72/38/36/563723836.db2.gz DTVJJLWSUAAACV-OAHLLOKOSA-N 1 0 388.277 2.973 20 0 GFADRO C[C@@H]1[N@H+](C[C@@H](O)COc2cc(F)cc(Br)c2)CCOC1(C)C ZINC000439422781 563723888 /nfs/dbraw/zinc/72/38/88/563723888.db2.gz NLKPZTQVURYHIY-SMDDNHRTSA-N 1 0 376.266 2.827 20 0 GFADRO CCN(CCC[NH2+]Cc1ccc(S(N)(=O)=O)c(Cl)c1)c1ccccc1 ZINC000414271334 563724545 /nfs/dbraw/zinc/72/45/45/563724545.db2.gz WUHBAQYQURDHSP-UHFFFAOYSA-N 1 0 381.929 2.994 20 0 GFADRO C[N@H+](C[C@@H](O)COc1cc(F)cc(Br)c1)C[C@H]1CCCCO1 ZINC000439433728 563724868 /nfs/dbraw/zinc/72/48/68/563724868.db2.gz CFDLUJNDSKSFDD-HUUCEWRRSA-N 1 0 376.266 2.829 20 0 GFADRO O=C(CCc1cccc(Br)c1)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000363519485 563725071 /nfs/dbraw/zinc/72/50/71/563725071.db2.gz IAEJOVQWJOMNKS-QGZVFWFLSA-N 1 0 395.341 2.953 20 0 GFADRO CNC(=O)[C@H]1CCCN(C(=O)C2CC[NH+](Cc3ccc(Cl)s3)CC2)C1 ZINC000363522344 563725207 /nfs/dbraw/zinc/72/52/07/563725207.db2.gz HTUZQZOLGIXVAL-AWEZNQCLSA-N 1 0 383.945 2.598 20 0 GFADRO CC[N@H+](C)C[C@H]1CCN(C[C@@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000439444053 563725258 /nfs/dbraw/zinc/72/52/58/563725258.db2.gz BMFLSDIYQWAJFP-CZUORRHYSA-N 1 0 389.309 2.602 20 0 GFADRO COc1ccccc1N1CCC([NH2+]Cc2ccc(S(C)(=O)=O)s2)CC1 ZINC000414314340 563726045 /nfs/dbraw/zinc/72/60/45/563726045.db2.gz DANITRWVODXIGX-UHFFFAOYSA-N 1 0 380.535 2.919 20 0 GFADRO CN(CCCC[NH2+]Cc1ccc(S(N)(=O)=O)c(Cl)c1)c1ccccc1 ZINC000414326350 563726427 /nfs/dbraw/zinc/72/64/27/563726427.db2.gz XXWGVRXRNZGYFE-UHFFFAOYSA-N 1 0 381.929 2.994 20 0 GFADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)[C@@H]1CCC[C@@H](O)C1 ZINC000439474027 563726418 /nfs/dbraw/zinc/72/64/18/563726418.db2.gz WQQFJICLXAKJBX-NVXWUHKLSA-N 1 0 383.330 2.890 20 0 GFADRO O=C1[C@H](N2CCc3c(Br)cccc3C2)CCN1C1CCOCC1 ZINC000363568097 563726934 /nfs/dbraw/zinc/72/69/34/563726934.db2.gz OBRZHGYIFLCXFY-QGZVFWFLSA-N 1 0 379.298 2.587 20 0 GFADRO C[C@@H]([NH2+]CC1(CS(C)(=O)=O)CCC1)c1ccc(-n2cncn2)cc1Cl ZINC000414332323 563727163 /nfs/dbraw/zinc/72/71/63/563727163.db2.gz RNHGSEYQIMAVHN-CYBMUJFWSA-N 1 0 382.917 2.786 20 0 GFADRO CC[C@@H]([NH2+]CCCCn1cc(C(N)=O)nn1)c1cc(F)cc(Br)c1 ZINC000414346781 563728485 /nfs/dbraw/zinc/72/84/85/563728485.db2.gz GJMUGJSLTIKBOB-CQSZACIVSA-N 1 0 398.280 2.800 20 0 GFADRO CN(C(=O)C(=O)Nc1nc(-c2cccs2)cs1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000439594967 563728886 /nfs/dbraw/zinc/72/88/86/563728886.db2.gz JFENKNLDLSVJFW-GFCCVEGCSA-N 1 0 376.507 2.505 20 0 GFADRO CCc1ccccc1C[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000414359999 563728973 /nfs/dbraw/zinc/72/89/73/563728973.db2.gz PZQGCNPBPRBZKW-UHFFFAOYSA-N 1 0 383.311 2.949 20 0 GFADRO CCC[NH+]1CCC(N2CCN(c3nc(Cl)c(C(=O)OC)s3)CC2)CC1 ZINC000363644398 563729134 /nfs/dbraw/zinc/72/91/34/563729134.db2.gz CZJVVXZPVCJBFC-UHFFFAOYSA-N 1 0 386.949 2.580 20 0 GFADRO COc1ccc(O[C@H](C)C[NH2+]Cc2ccc(S(N)(=O)=O)c(Cl)c2)cc1 ZINC000414356577 563729258 /nfs/dbraw/zinc/72/92/58/563729258.db2.gz FIGLTKOBMVKIRT-GFCCVEGCSA-N 1 0 384.885 2.553 20 0 GFADRO Cc1ccc(C(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)cc1I ZINC000363640643 563729407 /nfs/dbraw/zinc/72/94/07/563729407.db2.gz BPUZCXNRBGKWHK-CQSZACIVSA-N 1 0 384.261 2.910 20 0 GFADRO O=C(CCCc1ccccc1Br)N1CCN([C@@H]2CCOC2)CC1 ZINC000363712537 563730773 /nfs/dbraw/zinc/73/07/73/563730773.db2.gz UOSVVSGMHMXECX-MRXNPFEDSA-N 1 0 381.314 2.705 20 0 GFADRO CC1CC[NH+](CCCCNC(=O)c2nc3ccc(Br)cn3n2)CC1 ZINC000414419035 563735458 /nfs/dbraw/zinc/73/54/58/563735458.db2.gz ZEFXNSGISFTQMQ-UHFFFAOYSA-N 1 0 394.317 2.734 20 0 GFADRO CN(CC[N@H+](C)C1CCCCC1)C(=O)c1cc2c(s1)CCS(=O)(=O)C2 ZINC000363857148 563735672 /nfs/dbraw/zinc/73/56/72/563735672.db2.gz KHCGGSDUZXYSKN-UHFFFAOYSA-N 1 0 384.567 2.556 20 0 GFADRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NS(=O)(=O)c1ccc(F)cc1Br ZINC000440084511 563735946 /nfs/dbraw/zinc/73/59/46/563735946.db2.gz WRUZLBMAWFFEMZ-NEPJUHHUSA-N 1 0 393.322 2.987 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N(C)CCC[NH+]2CCCC2)c(Br)c1 ZINC000440254311 563738127 /nfs/dbraw/zinc/73/81/27/563738127.db2.gz IZKZNBWOBXTIGO-UHFFFAOYSA-N 1 0 396.329 2.949 20 0 GFADRO Cc1cc(Br)cc(C)c1S(=O)(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000440350547 563739780 /nfs/dbraw/zinc/73/97/80/563739780.db2.gz PNRLESQSWAZOBM-STQMWFEESA-N 1 0 375.332 2.732 20 0 GFADRO COc1ccc(S(=O)(=O)N[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)cc1Cl ZINC000414458403 563739803 /nfs/dbraw/zinc/73/98/03/563739803.db2.gz HJLMQDDENQTYTH-DOTOQJQBSA-N 1 0 380.897 2.725 20 0 GFADRO Cc1c(S(=O)(=O)N[C@H]2CCC[C@@H]2[NH+](C)C)cnn1-c1ccc(Cl)cc1 ZINC000414460179 563740534 /nfs/dbraw/zinc/74/05/34/563740534.db2.gz CKKDNMGKCNTKQH-HOTGVXAUSA-N 1 0 382.917 2.595 20 0 GFADRO Cc1c(S(=O)(=O)N(C)CC[C@@H]([NH3+])C(C)C)cnn1-c1ccc(Cl)cc1 ZINC000440419852 563741301 /nfs/dbraw/zinc/74/13/01/563741301.db2.gz WBYZEYNLWYGGGJ-MRXNPFEDSA-N 1 0 384.933 2.828 20 0 GFADRO Cc1c(S(=O)(=O)N[C@H]2CCCC[C@@H]2C[NH3+])cnn1-c1ccc(Cl)cc1 ZINC000440403592 563741568 /nfs/dbraw/zinc/74/15/68/563741568.db2.gz CZSVFOLWXWYKPS-CJNGLKHVSA-N 1 0 382.917 2.630 20 0 GFADRO CCCN(C1CC[NH2+]CC1)S(=O)(=O)c1sc(C)cc1Br ZINC000440431136 563742229 /nfs/dbraw/zinc/74/22/29/563742229.db2.gz ORRDHCNUMMIPMM-UHFFFAOYSA-N 1 0 381.361 2.972 20 0 GFADRO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+]Cc2ccc(C(=O)NC)cc2)c1 ZINC000414479543 563743453 /nfs/dbraw/zinc/74/34/53/563743453.db2.gz ITUAQUXAZDCIPS-UHFFFAOYSA-N 1 0 380.897 2.783 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S(=O)(=O)CC[NH2+][C@@H](C)[C@@H](C)CC ZINC000440525983 563744052 /nfs/dbraw/zinc/74/40/52/563744052.db2.gz WGTAISAPJHKHFU-GJZGRUSLSA-N 1 0 375.556 2.668 20 0 GFADRO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+][C@@H]2CCC[C@H](S(C)(=O)=O)C2)c1 ZINC000414497613 563744302 /nfs/dbraw/zinc/74/43/02/563744302.db2.gz UHSYIQQZXBZSOP-CABCVRRESA-N 1 0 393.958 2.579 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]C[C@@H]1C[C@H](C)O[C@H]1C ZINC000414508996 563745192 /nfs/dbraw/zinc/74/51/92/563745192.db2.gz CCQKJVKUFQASOI-XUXIUFHCSA-N 1 0 399.329 2.866 20 0 GFADRO Cc1cc(Cl)cnc1NC(=O)C(=O)N(CC[NH+](C)C)Cc1cccs1 ZINC000291513154 563745940 /nfs/dbraw/zinc/74/59/40/563745940.db2.gz OWJDKSFSQGJLOG-UHFFFAOYSA-N 1 0 380.901 2.634 20 0 GFADRO CCS(=O)(=O)CCC[NH2+]Cc1cccc(Br)c1OC(F)F ZINC000414548328 563745974 /nfs/dbraw/zinc/74/59/74/563745974.db2.gz XPNUFQIOOOKCFX-UHFFFAOYSA-N 1 0 386.258 2.965 20 0 GFADRO CCS(=O)(=O)CCC[NH2+]Cc1cnn(-c2ccc(C(F)(F)F)cc2)c1 ZINC000414538366 563746308 /nfs/dbraw/zinc/74/63/08/563746308.db2.gz BJGYCOOTLDCIHB-UHFFFAOYSA-N 1 0 375.416 2.806 20 0 GFADRO Cn1cc(-c2cc(C[NH+]3CCC(n4cc(Br)cn4)CC3)on2)cn1 ZINC000364245269 563746523 /nfs/dbraw/zinc/74/65/23/563746523.db2.gz NNGXSQRGPCKXOY-UHFFFAOYSA-N 1 0 391.273 2.871 20 0 GFADRO OC[C@@H]([NH2+]Cc1ccc(OC(F)F)c(Br)c1)[C@H]1CCCOC1 ZINC000414567001 563746960 /nfs/dbraw/zinc/74/69/60/563746960.db2.gz XLJCJLNARASFEQ-WCQYABFASA-N 1 0 380.229 2.928 20 0 GFADRO [NH3+][C@H]1CCC[C@@]12CCN(C(=O)c1cc(Br)c3c(c1)OCCO3)C2 ZINC000364258588 563747671 /nfs/dbraw/zinc/74/76/71/563747671.db2.gz OIBSJLVYUMIMFD-YOEHRIQHSA-N 1 0 381.270 2.564 20 0 GFADRO Cc1cc(Br)cn2c(C[N@@H+](C[C@@H]3CCC(=O)N3)C(C)C)cnc12 ZINC000414586247 563747737 /nfs/dbraw/zinc/74/77/37/563747737.db2.gz UOWBBLQEADLLPO-AWEZNQCLSA-N 1 0 379.302 2.894 20 0 GFADRO COc1ccc(S(=O)(=O)NCc2ccc([C@@H](C)[NH3+])cc2)c(Br)c1 ZINC000440762581 563749440 /nfs/dbraw/zinc/74/94/40/563749440.db2.gz RGKLEUPQHZGAGR-LLVKDONJSA-N 1 0 399.310 2.956 20 0 GFADRO COCCCOc1ccc(Cl)cc1S(=O)(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000440743446 563749600 /nfs/dbraw/zinc/74/96/00/563749600.db2.gz AVNVILBBZLEAMK-ZDUSSCGKSA-N 1 0 390.933 2.503 20 0 GFADRO Cc1cc(I)ccc1NC(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000414677529 563750371 /nfs/dbraw/zinc/75/03/71/563750371.db2.gz JFCJCRRUKDELHK-OAHLLOKOSA-N 1 0 385.249 2.817 20 0 GFADRO Cc1cc(I)ccc1NC(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000414685228 563750393 /nfs/dbraw/zinc/75/03/93/563750393.db2.gz YKIGQPNMPBQGNP-LLVKDONJSA-N 1 0 395.191 2.718 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)Nc2nnc(SCc3ccccc3)s2)C1 ZINC000414713783 563750745 /nfs/dbraw/zinc/75/07/45/563750745.db2.gz UIWBXJWDARTHLP-JSGCOSHPSA-N 1 0 377.539 3.422 20 0 GFADRO [NH3+]CC[C@@H]1CCCN(S(=O)(=O)c2cccc(Cl)c2Br)C1 ZINC000440809889 563750817 /nfs/dbraw/zinc/75/08/17/563750817.db2.gz OBEGIVOEAIBTDN-JTQLQIEISA-N 1 0 381.723 2.852 20 0 GFADRO Cc1cc(Br)cc(C)c1S(=O)(=O)NCC1(C)CC[NH2+]CC1 ZINC000440863889 563752341 /nfs/dbraw/zinc/75/23/41/563752341.db2.gz VVXOSGBXLADDHA-UHFFFAOYSA-N 1 0 375.332 2.734 20 0 GFADRO [NH3+][C@H]1CCC[C@H](NS(=O)(=O)c2cc(Cl)c(Br)cc2F)C1 ZINC000440857158 563752516 /nfs/dbraw/zinc/75/25/16/563752516.db2.gz IIGILPVWSNEGAG-YUMQZZPRSA-N 1 0 385.686 2.790 20 0 GFADRO Cc1cc(Br)cc(C)c1S(=O)(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000440858927 563752599 /nfs/dbraw/zinc/75/25/99/563752599.db2.gz MAHUZYGFLLWRAK-HNNXBMFYSA-N 1 0 375.332 2.734 20 0 GFADRO Cc1ccc(NC(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])cc1Br ZINC000414795803 563752663 /nfs/dbraw/zinc/75/26/63/563752663.db2.gz XCPUALGCXFTNKF-AWEZNQCLSA-N 1 0 397.317 2.609 20 0 GFADRO CC[C@H]([NH2+][C@@H]1CCN(CCN2CCOCC2)C1)c1ccc(Br)cc1 ZINC000364459091 563753867 /nfs/dbraw/zinc/75/38/67/563753867.db2.gz QSUQOLNIVBRPTR-MOPGFXCFSA-N 1 0 396.373 2.896 20 0 GFADRO CCCC[C@H](C[NH3+])NCc1cc(I)c(OC)c(OC)c1 ZINC000414813141 563753935 /nfs/dbraw/zinc/75/39/35/563753935.db2.gz MAPSLBAYVWLEDN-GFCCVEGCSA-N 1 0 392.281 2.916 20 0 GFADRO CC1CC[NH+](CCCNC(=O)c2nc(C3CC3)ncc2Br)CC1 ZINC000291715949 563754911 /nfs/dbraw/zinc/75/49/11/563754911.db2.gz IAXDZRGNWKJQEU-UHFFFAOYSA-N 1 0 381.318 2.968 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1Br ZINC000364516791 563756182 /nfs/dbraw/zinc/75/61/82/563756182.db2.gz GWBSDJWKKZYGTP-ZIAGYGMSSA-N 1 0 394.313 2.747 20 0 GFADRO Cn1cc([C@H]2[C@H](C[NH2+]Cc3ccc(F)cc3Br)CC(=O)N2C)cn1 ZINC000364540842 563757081 /nfs/dbraw/zinc/75/70/81/563757081.db2.gz WGZPKEZLWTXVKP-YVEFUNNKSA-N 1 0 395.276 2.631 20 0 GFADRO Cc1ccc(C(=O)NC[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)c(Br)n1 ZINC000364558829 563757556 /nfs/dbraw/zinc/75/75/56/563757556.db2.gz BVHIMAWPZPJQQO-HOCLYGCPSA-N 1 0 389.297 2.970 20 0 GFADRO O=C(Nc1ccnn1Cc1cccc(Br)c1)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000364559379 563757605 /nfs/dbraw/zinc/75/76/05/563757605.db2.gz GQWJTHHJMWVEFW-RHSMWYFYSA-N 1 0 375.270 2.632 20 0 GFADRO CO[C@@H]1CC[N@H+](C[C@H](O)COc2cc(F)cc(Br)c2)[C@H](C)C1 ZINC000441344652 563758263 /nfs/dbraw/zinc/75/82/63/563758263.db2.gz DMHLCXNNRYZCHP-BYCMXARLSA-N 1 0 376.266 2.827 20 0 GFADRO CCCOc1c(Br)cc(CN2CCCO[C@H](C[NH3+])C2)cc1OC ZINC000415112816 563759715 /nfs/dbraw/zinc/75/97/15/563759715.db2.gz QWGVQIKJQMKGCN-CQSZACIVSA-N 1 0 387.318 2.796 20 0 GFADRO C[C@@H]1CN(C(=O)Nc2cc(Br)ccc2-n2cccn2)CC[C@@H]1[NH3+] ZINC000415169030 563762014 /nfs/dbraw/zinc/76/20/14/563762014.db2.gz VRXLDMKVWNUDPL-YPMHNXCESA-N 1 0 378.274 2.836 20 0 GFADRO C[C@@H](CNC(=O)c1nc(C2CC2)ncc1Br)C[NH+]1CCCCC1 ZINC000291860665 563762430 /nfs/dbraw/zinc/76/24/30/563762430.db2.gz VTGWKCJIKPUHMO-LBPRGKRZSA-N 1 0 381.318 2.968 20 0 GFADRO C[C@@H](C[NH3+])CNC(=O)c1ccc(NC(=O)c2ccc(Br)o2)cc1 ZINC000441627551 563763087 /nfs/dbraw/zinc/76/30/87/563763087.db2.gz VCNJOBQAGLDOAJ-JTQLQIEISA-N 1 0 380.242 2.619 20 0 GFADRO [NH3+]C1CCC(NC(=O)Nc2ccc(F)cc2I)CC1 ZINC000415245665 563763493 /nfs/dbraw/zinc/76/34/93/563763493.db2.gz BFAZANVOSUMQNT-UHFFFAOYSA-N 1 0 377.201 2.822 20 0 GFADRO CN(C(=O)c1cnn(-c2ccc(Br)cc2)c1)[C@@H]1CCC[NH2+]CC1 ZINC000364772194 563763882 /nfs/dbraw/zinc/76/38/82/563763882.db2.gz BFICOXKIQPSJBA-OAHLLOKOSA-N 1 0 377.286 2.849 20 0 GFADRO CN(C(=O)Nc1ccc(F)cc1I)[C@@H](C[NH3+])C1CC1 ZINC000415253080 563764040 /nfs/dbraw/zinc/76/40/40/563764040.db2.gz PGDNCGFPOURTON-LBPRGKRZSA-N 1 0 377.201 2.631 20 0 GFADRO [NH3+][C@H]1CCN(C(=O)Nc2ccc(Br)cc2-c2nc(C3CC3)no2)C1 ZINC000415277398 563764743 /nfs/dbraw/zinc/76/47/43/563764743.db2.gz WWXHATAZWQOSGJ-NSHDSACASA-N 1 0 392.257 2.941 20 0 GFADRO COCCCN(C(=O)[C@H](O)c1cc(Cl)cc(Cl)c1)C1CC[NH+](C)CC1 ZINC000291920826 563764703 /nfs/dbraw/zinc/76/47/03/563764703.db2.gz USPQJVIXYNUWRH-QGZVFWFLSA-N 1 0 389.323 2.986 20 0 GFADRO O=C(Nc1ccc(F)c(Br)c1)C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000441839313 563764808 /nfs/dbraw/zinc/76/48/08/563764808.db2.gz NQWZEJQFFIIGJA-GFCCVEGCSA-N 1 0 398.276 2.660 20 0 GFADRO C[NH2+]C[C@H](C)CNC(=O)Nc1cc(I)ccc1Cl ZINC000415270771 563764943 /nfs/dbraw/zinc/76/49/43/563764943.db2.gz RABCMSFDOZKRFB-QMMMGPOBSA-N 1 0 381.645 2.922 20 0 GFADRO CCOc1ccc(NC(=O)C(=O)NCC2([NH3+])CCCCC2)cc1Br ZINC000415275668 563765049 /nfs/dbraw/zinc/76/50/49/563765049.db2.gz BHWUVHOHFIUKOG-UHFFFAOYSA-N 1 0 398.301 2.564 20 0 GFADRO CCOc1c(Cl)cc(NC(=O)C(=O)N2CCC[C@@H](C[NH2+]C)C2)cc1Cl ZINC000415284057 563765517 /nfs/dbraw/zinc/76/55/17/563765517.db2.gz PAIHHUJCDBMICL-NSHDSACASA-N 1 0 388.295 2.789 20 0 GFADRO CSCC[C@@H]1NC(=S)N([C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)C1=O ZINC000364867044 563766567 /nfs/dbraw/zinc/76/65/67/563766567.db2.gz BWEBILOXNZVBLG-PVAVHDDUSA-N 1 0 377.579 2.735 20 0 GFADRO C[NH2+]CCCNC(=O)C(=O)Nc1cc(Cl)ccc1SCC(F)(F)F ZINC000415309622 563766927 /nfs/dbraw/zinc/76/69/27/563766927.db2.gz SSKYQHHWMFDOGN-UHFFFAOYSA-N 1 0 383.823 2.659 20 0 GFADRO Cc1cc(C)c(NC(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)c(Br)c1 ZINC000415319648 563766983 /nfs/dbraw/zinc/76/69/83/563766983.db2.gz UJLKVMPORMBTJF-CQSZACIVSA-N 1 0 381.318 2.577 20 0 GFADRO CCOC(=O)c1c(NC(=O)N[C@H]2C[NH2+]CC[C@@H]2C)sc2c1CCSC2 ZINC000415333139 563767385 /nfs/dbraw/zinc/76/73/85/563767385.db2.gz IRPXGOMVQYOCMC-JQWIXIFHSA-N 1 0 383.539 2.834 20 0 GFADRO COC(=O)c1cc(Br)ccc1NC(=O)N1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000415332114 563767407 /nfs/dbraw/zinc/76/74/07/563767407.db2.gz NEUDPSDCOSAOBB-WDEREUQCSA-N 1 0 384.274 2.684 20 0 GFADRO COC(=O)c1cc(Br)ccc1NC(=O)N1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000415337619 563768079 /nfs/dbraw/zinc/76/80/79/563768079.db2.gz USWODMANMJFRHG-YGRLFVJLSA-N 1 0 384.274 2.827 20 0 GFADRO COC(=O)c1cc(Br)ccc1NC(=O)N1CCC[C@H](C)[C@H]1C[NH3+] ZINC000415337612 563768132 /nfs/dbraw/zinc/76/81/32/563768132.db2.gz USWODMANMJFRHG-IINYFYTJSA-N 1 0 384.274 2.827 20 0 GFADRO CCOC(=O)c1c(NC(=O)N2CC[C@H](C[NH2+]C)C2)sc2c1CCSC2 ZINC000415341866 563768173 /nfs/dbraw/zinc/76/81/73/563768173.db2.gz PPTOCIGHXOKLJG-LLVKDONJSA-N 1 0 383.539 2.787 20 0 GFADRO C[C@H]([NH2+]CCNS(=O)(=O)c1ccc(F)cc1F)c1ccc(F)c(F)c1 ZINC000442135024 563768191 /nfs/dbraw/zinc/76/81/91/563768191.db2.gz MUWFFNHYBFWIBI-JTQLQIEISA-N 1 0 376.375 2.872 20 0 GFADRO C[N@@H+]1CC[C@@]2(CCN(S(=O)(=O)c3cc(Cl)ccc3Br)C2)C1 ZINC000292000820 563769255 /nfs/dbraw/zinc/76/92/55/563769255.db2.gz LKDRNAHLOSEKIL-CQSZACIVSA-N 1 0 393.734 2.819 20 0 GFADRO [NH3+]C[C@H]1CCN(C(=O)C(=O)Nc2ccc(Br)c(Cl)c2Cl)C1 ZINC000415352318 563769305 /nfs/dbraw/zinc/76/93/05/563769305.db2.gz KGKOYEHBUKPLGH-SSDOTTSWSA-N 1 0 395.084 2.502 20 0 GFADRO C[C@H]1CN(C(=O)Nc2cnn(-c3ccccc3Br)c2)CC[C@H]1[NH3+] ZINC000415354652 563770159 /nfs/dbraw/zinc/77/01/59/563770159.db2.gz NTMWSGGIKGGWOF-SMDDNHRTSA-N 1 0 378.274 2.836 20 0 GFADRO O=C(Nc1cccc(F)c1I)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000415359472 563770547 /nfs/dbraw/zinc/77/05/47/563770547.db2.gz KPWKSBVVPQHLSS-UWVGGRQHSA-N 1 0 389.212 2.504 20 0 GFADRO CCCN(C(=O)C(=O)Nc1cc(Cl)cc(C(F)(F)F)c1)[C@@H]1CC[NH2+]C1 ZINC000415383375 563771822 /nfs/dbraw/zinc/77/18/22/563771822.db2.gz BVSCOZQYZVTGOB-CYBMUJFWSA-N 1 0 377.794 2.898 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N2CCC([C@H](C)[NH3+])CC2)c(Br)c1 ZINC000415390188 563771866 /nfs/dbraw/zinc/77/18/66/563771866.db2.gz GFTORIDRKZAHAG-LBPRGKRZSA-N 1 0 382.302 2.590 20 0 GFADRO Cc1nc2cc(Cl)c(NC(=O)C(=O)N3CCC([C@H](C)[NH3+])CC3)cc2s1 ZINC000415390248 563771924 /nfs/dbraw/zinc/77/19/24/563771924.db2.gz GJPGCLOKNLSOSS-VIFPVBQESA-N 1 0 380.901 2.782 20 0 GFADRO O=C(NC[C@H]1CCC[NH2+]1)C(=O)Nc1cccc(Cl)c1SCC(F)F ZINC000415386564 563771986 /nfs/dbraw/zinc/77/19/86/563771986.db2.gz XCUCIDXTVUURKL-SECBINFHSA-N 1 0 377.844 2.504 20 0 GFADRO CC(C)(C[NH3+])NC(=O)C(=O)Nc1cc(Cl)ccc1SCC(F)(F)F ZINC000415383943 563772146 /nfs/dbraw/zinc/77/21/46/563772146.db2.gz SETNCMQVKCUPMK-UHFFFAOYSA-N 1 0 383.823 2.786 20 0 GFADRO Cc1cc(F)c(Br)cc1NC(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000365072491 563772409 /nfs/dbraw/zinc/77/24/09/563772409.db2.gz PGOQXXHGJMXVSS-NWDGAFQWSA-N 1 0 386.265 2.881 20 0 GFADRO C[NH2+]CC1CCN(C(=O)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000415394944 563772600 /nfs/dbraw/zinc/77/26/00/563772600.db2.gz DPOVLKHEJARHHX-UHFFFAOYSA-N 1 0 377.794 2.755 20 0 GFADRO Cc1cc(F)c(NC(=O)NCC[C@H]2CC[NH2+]C2)c(I)c1 ZINC000415395922 563772736 /nfs/dbraw/zinc/77/27/36/563772736.db2.gz SYSHOVMDQMSNHR-SNVBAGLBSA-N 1 0 391.228 2.860 20 0 GFADRO COC(=O)c1cc(NC(=O)N2CC[C@H](C)C[C@H]2C[NH3+])ccc1Br ZINC000415402181 563773046 /nfs/dbraw/zinc/77/30/46/563773046.db2.gz ILQGNJFSUGSDNJ-JQWIXIFHSA-N 1 0 384.274 2.827 20 0 GFADRO COC(=O)c1cc(NC(=O)N[C@@H]2CCCC[C@H]2C[NH3+])ccc1Br ZINC000415404587 563773057 /nfs/dbraw/zinc/77/30/57/563773057.db2.gz LSHUSAMCPMECMV-IINYFYTJSA-N 1 0 384.274 2.875 20 0 GFADRO CCCN(C(=O)C(=O)Nc1c(C)cc(C)cc1Br)[C@@H]1CC[NH2+]C1 ZINC000415408886 563773684 /nfs/dbraw/zinc/77/36/84/563773684.db2.gz SKPXXKDEJJFRDP-CYBMUJFWSA-N 1 0 382.302 2.605 20 0 GFADRO COC(=O)c1cc(NC(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)ccc1Br ZINC000415410989 563773734 /nfs/dbraw/zinc/77/37/34/563773734.db2.gz VNSGXZWRXWNQLH-VZJVUDMVSA-N 1 0 396.285 2.827 20 0 GFADRO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)Nc1cc(Cl)cc(Br)c1 ZINC000415422996 563774376 /nfs/dbraw/zinc/77/43/76/563774376.db2.gz FKXQUNZNOHWCJH-LBPRGKRZSA-N 1 0 376.682 2.531 20 0 GFADRO COCC[N@@H+]1CCCN(C(=O)C2(Cc3ccccc3Br)CC2)CC1 ZINC000292119578 563774715 /nfs/dbraw/zinc/77/47/15/563774715.db2.gz AVJNPFJWKANZSL-UHFFFAOYSA-N 1 0 395.341 2.953 20 0 GFADRO CN1CC[NH+](C[C@H]2CCCN(C(=O)c3ccccc3Br)C2)CC1 ZINC000365118997 563774791 /nfs/dbraw/zinc/77/47/91/563774791.db2.gz SUZLKMAFZVJTHY-OAHLLOKOSA-N 1 0 380.330 2.549 20 0 GFADRO COCCOc1ccc(Br)cc1NC(=O)N1C[C@H](C)[NH2+]C[C@H]1C ZINC000415429627 563775036 /nfs/dbraw/zinc/77/50/36/563775036.db2.gz RUCCKGBKSSKQNG-NWDGAFQWSA-N 1 0 386.290 2.688 20 0 GFADRO COCCOc1ccc(Br)cc1NC(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000415435254 563775489 /nfs/dbraw/zinc/77/54/89/563775489.db2.gz ZDSMJZNWWGDZAD-GFCCVEGCSA-N 1 0 386.290 2.595 20 0 GFADRO Cc1nc(CN2CCC(CNS(=O)(=O)CCc3cccs3)CC2)cs1 ZINC000365152162 563775621 /nfs/dbraw/zinc/77/56/21/563775621.db2.gz OCPVCKBFKYPUJK-UHFFFAOYSA-N 1 0 399.607 2.887 20 0 GFADRO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)Nc1ccc(Cl)cc1Br ZINC000415431604 563775802 /nfs/dbraw/zinc/77/58/02/563775802.db2.gz SOCVACORSVFXOF-SNVBAGLBSA-N 1 0 376.682 2.531 20 0 GFADRO Cn1ccnc1Sc1ncc(C(=O)N2CCC[C@@H](CC[NH3+])C2)cc1Cl ZINC000442614370 563776037 /nfs/dbraw/zinc/77/60/37/563776037.db2.gz AYFQTKKDOHNKSB-LBPRGKRZSA-N 1 0 379.917 2.821 20 0 GFADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)CCc1cncnc1 ZINC000292141492 563776021 /nfs/dbraw/zinc/77/60/21/563776021.db2.gz CVTUTXSHIICNDN-UHFFFAOYSA-N 1 0 391.313 2.762 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)Nc2cccc(Br)c2Cl)C1 ZINC000415439844 563776205 /nfs/dbraw/zinc/77/62/05/563776205.db2.gz LXHFVDCKHCOWGP-VHSXEESVSA-N 1 0 388.693 2.627 20 0 GFADRO COC(=O)c1cc(Br)c(F)cc1NC(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000415465499 563776888 /nfs/dbraw/zinc/77/68/88/563776888.db2.gz FSCQWSLYPGUSMD-BDAKNGLRSA-N 1 0 388.237 2.589 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000415458329 563776955 /nfs/dbraw/zinc/77/69/55/563776955.db2.gz ZNBXNJSLVMPZHN-UHFFFAOYSA-N 1 0 394.313 2.687 20 0 GFADRO O=C1[C@@H]([NH2+]Cc2ccc(Br)c(Cl)c2)CCN1C1CCOCC1 ZINC000365205125 563776987 /nfs/dbraw/zinc/77/69/87/563776987.db2.gz UDTSSSOICCCKLS-HNNXBMFYSA-N 1 0 387.705 2.972 20 0 GFADRO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)C[NH2+][C@H]1CCO[C@@H]1C1CC1 ZINC000365191946 563776999 /nfs/dbraw/zinc/77/69/99/563776999.db2.gz UMZQKHXCKKKHOD-XJKSGUPXSA-N 1 0 387.263 2.876 20 0 GFADRO COC(=O)c1cc(Br)c(F)cc1NC(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000415471902 563777541 /nfs/dbraw/zinc/77/75/41/563777541.db2.gz SLZFLHGJFXRQMZ-IUCAKERBSA-N 1 0 388.237 2.766 20 0 GFADRO C[C@@H]1CCCN(C(=O)Nc2cc(Br)cnc2-n2cccn2)[C@H]1C[NH3+] ZINC000415479903 563778217 /nfs/dbraw/zinc/77/82/17/563778217.db2.gz IIYZCYFNDIMQPJ-RISCZKNCSA-N 1 0 393.289 2.621 20 0 GFADRO CC[NH2+]CC1CCN(C(=O)C(=O)Nc2ccc(Br)cc2CC)CC1 ZINC000415474027 563778311 /nfs/dbraw/zinc/77/83/11/563778311.db2.gz BPDFCLJAKNHLPF-UHFFFAOYSA-N 1 0 396.329 2.798 20 0 GFADRO COC(=O)c1scc(C)c1S(=O)(=O)N(C)CC[NH+](C(C)C)C(C)C ZINC000442757859 563778668 /nfs/dbraw/zinc/77/86/68/563778668.db2.gz NEXQFYXMWOYGJU-UHFFFAOYSA-N 1 0 376.544 2.582 20 0 GFADRO CC[NH2+]CC1CCN(C(=O)C(=O)Nc2nc(-c3cccs3)cs2)CC1 ZINC000415496590 563779706 /nfs/dbraw/zinc/77/97/06/563779706.db2.gz OJASMAHYYQGSFW-UHFFFAOYSA-N 1 0 378.523 2.658 20 0 GFADRO C[NH2+]C[C@@H](C)CNC(=O)Nc1ccnn1Cc1ccccc1Br ZINC000415519348 563780919 /nfs/dbraw/zinc/78/09/19/563780919.db2.gz FVFOUYKENDAPPV-GFCCVEGCSA-N 1 0 380.290 2.671 20 0 GFADRO O=C(Nc1ccnn1Cc1ccccc1Br)N1CCC[NH2+]CC1 ZINC000415519393 563781573 /nfs/dbraw/zinc/78/15/73/563781573.db2.gz GCZMJPIZCUFASK-UHFFFAOYSA-N 1 0 378.274 2.521 20 0 GFADRO C[C@@H]1CN(C(=O)Nc2ccnn2Cc2ccccc2Br)[C@H](C)C[NH2+]1 ZINC000415523762 563782153 /nfs/dbraw/zinc/78/21/53/563782153.db2.gz QTWNRMZUSXMRRA-CHWSQXEVSA-N 1 0 392.301 2.908 20 0 GFADRO [NH3+]CC1CCN(C(=O)Nc2ccnn2Cc2cccc(Br)c2)CC1 ZINC000415528628 563782546 /nfs/dbraw/zinc/78/25/46/563782546.db2.gz QMUYCNHTTCORDK-UHFFFAOYSA-N 1 0 392.301 2.897 20 0 GFADRO COc1cc(OC)c(NC(=O)NCC[C@@H]2CCC[NH2+]C2)cc1Br ZINC000415527536 563782551 /nfs/dbraw/zinc/78/25/51/563782551.db2.gz JNFHWRCDOUXWPH-NSHDSACASA-N 1 0 386.290 2.978 20 0 GFADRO CCOC[C@H]1CCC[C@@H]1[NH2+]CCNS(=O)(=O)c1ccc(Cl)cc1F ZINC000442887971 563783102 /nfs/dbraw/zinc/78/31/02/563783102.db2.gz CLQLXAURNVJFBH-DOMZBBRYSA-N 1 0 378.897 2.552 20 0 GFADRO C[N@@H+]1CC[C@H](CNC(=O)CSCC(=O)OC(C)(C)C)[C@@H]1c1cccs1 ZINC000365453535 563783561 /nfs/dbraw/zinc/78/35/61/563783561.db2.gz ITOYEUXLRGNFII-CXAGYDPISA-N 1 0 384.567 2.932 20 0 GFADRO Cc1sc(Br)cc1S(=O)(=O)N1CCC[C@H]([NH+](C)C)CC1 ZINC000365452226 563783735 /nfs/dbraw/zinc/78/37/35/563783735.db2.gz GNNSKWXLNUATPM-NSHDSACASA-N 1 0 381.361 2.924 20 0 GFADRO C[NH2+]CCC1CCN(C(=O)C(=O)Nc2nc(-c3cccs3)cs2)CC1 ZINC000415558303 563784626 /nfs/dbraw/zinc/78/46/26/563784626.db2.gz XSIQZSMZIDMCMN-UHFFFAOYSA-N 1 0 378.523 2.658 20 0 GFADRO C[C@@]1(CNC(=O)C(=O)Nc2cc(Cl)cc(C(F)(F)F)c2)CCC[NH2+]C1 ZINC000415576570 563785203 /nfs/dbraw/zinc/78/52/03/563785203.db2.gz WEJWVDZZHIOOBI-OAHLLOKOSA-N 1 0 377.794 2.803 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000415583442 563785537 /nfs/dbraw/zinc/78/55/37/563785537.db2.gz QYTXPQKQIHHKKX-CFVMTHIKSA-N 1 0 394.313 2.536 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)Nc2cccnc2-c2ccc(Cl)s2)C1 ZINC000415588533 563785585 /nfs/dbraw/zinc/78/55/85/563785585.db2.gz ZZYKSOXCPJXLPQ-WDEREUQCSA-N 1 0 378.885 2.598 20 0 GFADRO COC(=O)c1c(Br)ccc(NC(=O)NCC[C@H]2CC[NH2+]C2)c1C ZINC000415597301 563786298 /nfs/dbraw/zinc/78/62/98/563786298.db2.gz JACQDTROTUVFBX-LLVKDONJSA-N 1 0 384.274 2.665 20 0 GFADRO O=C(NCCCN1CC[NH2+]CC1)Nc1cccc(Cl)c1Br ZINC000415600648 563786972 /nfs/dbraw/zinc/78/69/72/563786972.db2.gz YQNPSSHCORDPMT-UHFFFAOYSA-N 1 0 375.698 2.519 20 0 GFADRO COC(=O)c1cc(NC(=O)N[C@H](C[NH3+])CC(C)C)cc(Br)c1F ZINC000415605647 563787431 /nfs/dbraw/zinc/78/74/31/563787431.db2.gz HROHQBROGOGGEB-JTQLQIEISA-N 1 0 390.253 2.870 20 0 GFADRO C[NH2+]C[C@H]1CCCN1C(=O)Nc1cc(Br)c(F)c(C(=O)OC)c1 ZINC000415608754 563787992 /nfs/dbraw/zinc/78/79/92/563787992.db2.gz MEDMZTWKLGYOLJ-SNVBAGLBSA-N 1 0 388.237 2.591 20 0 GFADRO COC(=O)c1cc(NC(=O)N[C@H]2CC[NH2+]C2(C)C)cc(Br)c1F ZINC000415614609 563788066 /nfs/dbraw/zinc/78/80/66/563788066.db2.gz PNEAYBMSVBDKKO-NSHDSACASA-N 1 0 388.237 2.637 20 0 GFADRO COC(=O)c1cc(NC(=O)N2CC[C@@H]([NH3+])[C@@H](C)C2)cc(Br)c1F ZINC000415616624 563788214 /nfs/dbraw/zinc/78/82/14/563788214.db2.gz UHTXIHVJLVNRML-QPUJVOFHSA-N 1 0 388.237 2.576 20 0 GFADRO O=S(=O)(NCC[NH2+]CCSCc1ccccc1)c1ccc(F)cc1F ZINC000443070838 563790263 /nfs/dbraw/zinc/79/02/63/563790263.db2.gz ZNXYMBPSNFTOHY-UHFFFAOYSA-N 1 0 386.489 2.766 20 0 GFADRO O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)Nc1cc(Cl)cc(F)c1F ZINC000415658468 563790540 /nfs/dbraw/zinc/79/05/40/563790540.db2.gz PPHGBAYKSHCZSL-LLVKDONJSA-N 1 0 386.752 2.576 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2cccc(Cl)c2SCC(F)F)CC[NH2+]1 ZINC000415665451 563790674 /nfs/dbraw/zinc/79/06/74/563790674.db2.gz DFNVLHDLHVYNPL-ZJUUUORDSA-N 1 0 391.871 2.892 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ccc(-c3ccc(Cl)s3)nc2)CC[NH2+]1 ZINC000415666537 563790730 /nfs/dbraw/zinc/79/07/30/563790730.db2.gz FBOPOLUBLCYYLN-MNOVXSKESA-N 1 0 378.885 2.659 20 0 GFADRO Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000292605749 563791160 /nfs/dbraw/zinc/79/11/60/563791160.db2.gz UAUMGGNMZSGUMN-VXGBXAGGSA-N 1 0 378.826 2.806 20 0 GFADRO [NH3+]CCCN(CC1CCCC1)C(=O)C(=O)Nc1ccc(Br)cc1 ZINC000415715591 563793181 /nfs/dbraw/zinc/79/31/81/563793181.db2.gz XIOHGUBEENTSEG-UHFFFAOYSA-N 1 0 382.302 2.755 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)Nc2cccc3cc(Br)cnc32)CCCO1 ZINC000415718795 563793314 /nfs/dbraw/zinc/79/33/14/563793314.db2.gz GQXOKHVPSBTKGU-ZDUSSCGKSA-N 1 0 379.258 2.579 20 0 GFADRO O=S(=O)(NC[C@H](O)C[NH+]1CCCCC1)c1c(Cl)ccc2ccccc21 ZINC000443153745 563793963 /nfs/dbraw/zinc/79/39/63/563793963.db2.gz HMQHRKADERDTEE-HNNXBMFYSA-N 1 0 382.913 2.618 20 0 GFADRO C[C@@H]1CCN(C(=O)Nc2ccn(-c3ccc(Br)cc3)n2)C[C@@H]1C[NH3+] ZINC000415751982 563794371 /nfs/dbraw/zinc/79/43/71/563794371.db2.gz CLEWHZKPDVRWGH-OLZOCXBDSA-N 1 0 392.301 3.083 20 0 GFADRO C[C@H](CCC[NH3+])NC(=O)C(=O)Nc1cc(Br)cc(C(F)(F)F)c1 ZINC000415767421 563795713 /nfs/dbraw/zinc/79/57/13/563795713.db2.gz YMMARHXWRASOSN-MRVPVSSYSA-N 1 0 396.207 2.650 20 0 GFADRO C[C@@H](NC(=O)C(=O)Nc1ccc(Br)c(Cl)c1Cl)[C@H](C)[NH3+] ZINC000415801908 563796858 /nfs/dbraw/zinc/79/68/58/563796858.db2.gz GWKYSNIGEMTGAU-NTSWFWBYSA-N 1 0 383.073 2.546 20 0 GFADRO O=C(NCCC[C@H]1CCC[NH2+]1)C(=O)Nc1cc(Cl)ccc1C(F)(F)F ZINC000415806971 563797571 /nfs/dbraw/zinc/79/75/71/563797571.db2.gz QAVAZEFNVLBGGE-LLVKDONJSA-N 1 0 377.794 2.946 20 0 GFADRO O=C(NCCC[C@@H]1CCC[NH2+]1)C(=O)Nc1cccc(Br)c1Cl ZINC000415811839 563797754 /nfs/dbraw/zinc/79/77/54/563797754.db2.gz ZJPPZSDCESSZPC-JTQLQIEISA-N 1 0 388.693 2.689 20 0 GFADRO O=C(NCCC[C@@H]1CCC[NH2+]1)C(=O)Nc1cc(Cl)ccc1Br ZINC000415808118 563797757 /nfs/dbraw/zinc/79/77/57/563797757.db2.gz SAMFJYUDDRJYNF-NSHDSACASA-N 1 0 388.693 2.689 20 0 GFADRO [NH3+]C[C@@H](NC(=O)C(=O)Nc1cc(Cl)ccc1C(F)(F)F)C1CCCC1 ZINC000415821011 563798106 /nfs/dbraw/zinc/79/81/06/563798106.db2.gz DTNSYSICKDPKFB-CYBMUJFWSA-N 1 0 377.794 2.931 20 0 GFADRO O=C(N[C@H](CCO)c1ccc(Cl)c(Cl)c1)N[C@H]1CCc2[nH]cnc2C1 ZINC000366095704 563799301 /nfs/dbraw/zinc/79/93/01/563799301.db2.gz UQRKWKIHWOJQCA-SMDDNHRTSA-N 1 0 383.279 2.997 20 0 GFADRO Cc1cccc(NC(=O)C(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1Br ZINC000415853487 563799768 /nfs/dbraw/zinc/79/97/68/563799768.db2.gz LOWMSIIJGMUWNO-UONOGXRCSA-N 1 0 394.313 2.544 20 0 GFADRO Cc1c(I)cccc1C(=O)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000366181212 563800247 /nfs/dbraw/zinc/80/02/47/563800247.db2.gz XGUUXEYDYXIXHP-CYBMUJFWSA-N 1 0 384.261 2.910 20 0 GFADRO Cc1nnc([C@@H]2CC23CC[NH+](Cc2c(Br)c(C)nn2C)CC3)o1 ZINC000366174624 563800658 /nfs/dbraw/zinc/80/06/58/563800658.db2.gz ZJRLMWRPHQPZKC-LBPRGKRZSA-N 1 0 380.290 2.952 20 0 GFADRO [NH3+]CC[C@H](NC(=O)N[C@@H]1CCCN(c2ccccc2Cl)C1)C(F)(F)F ZINC000416012923 563802287 /nfs/dbraw/zinc/80/22/87/563802287.db2.gz SWJOXDXBSQMYFJ-RISCZKNCSA-N 1 0 378.826 2.888 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ccccc2Br)C[C@H]1C ZINC000443366079 563803031 /nfs/dbraw/zinc/80/30/31/563803031.db2.gz LMDFUNNITZHWIH-OLZOCXBDSA-N 1 0 382.302 2.719 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2cccc(Br)c2)C[C@@H]1C ZINC000443368390 563803392 /nfs/dbraw/zinc/80/33/92/563803392.db2.gz FQAUBOLNNWWFGO-WFASDCNBSA-N 1 0 382.302 2.719 20 0 GFADRO [NH3+]CC[C@@H](NC(=O)NCc1c(Cl)cccc1-n1ccnc1)C(F)(F)F ZINC000416038998 563804036 /nfs/dbraw/zinc/80/40/36/563804036.db2.gz FPKREUQRKQGZFS-CYBMUJFWSA-N 1 0 375.782 2.605 20 0 GFADRO Cc1cc(Br)c(S(=O)(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)s1 ZINC000443465774 563805902 /nfs/dbraw/zinc/80/59/02/563805902.db2.gz NAALNXZLXNLMDQ-ZACCUICWSA-N 1 0 379.345 2.723 20 0 GFADRO CC[C@H]([NH2+][C@@H]1CCc2n[nH]cc2C1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000366486809 563810745 /nfs/dbraw/zinc/81/07/45/563810745.db2.gz YIBZGZVKMXKVCX-HIFRSBDPSA-N 1 0 382.917 2.569 20 0 GFADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)Nc1cc(F)cc(F)c1Br ZINC000443735109 563810980 /nfs/dbraw/zinc/81/09/80/563810980.db2.gz SSKDEWGRLCKJCG-VIFPVBQESA-N 1 0 392.244 2.512 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)N[C@@H](C)CCCC[NH3+] ZINC000293411631 563811591 /nfs/dbraw/zinc/81/15/91/563811591.db2.gz NEONMSPCQSDNJR-LSDHHAIUSA-N 1 0 386.583 2.985 20 0 GFADRO O=C1NC(=O)[C@@H]2C[N@H+](Cc3ccc(-c4cccc(Br)c4)o3)CC[C@H]12 ZINC000366543829 563812846 /nfs/dbraw/zinc/81/28/46/563812846.db2.gz JUUSCVTYEQFBFF-LSDHHAIUSA-N 1 0 389.249 2.804 20 0 GFADRO O=C(CCC[S@](=O)c1ccc(Br)cc1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000293462472 563813403 /nfs/dbraw/zinc/81/34/03/563813403.db2.gz QCYAPYBYDZPTCL-SVLHDBBDSA-N 1 0 399.354 2.547 20 0 GFADRO C[C@H]1CCN(C(=O)c2nn(C)cc2Br)CC[N@@H+]1Cc1ccccc1 ZINC000293485922 563815210 /nfs/dbraw/zinc/81/52/10/563815210.db2.gz UGCOFXOABAVLHG-AWEZNQCLSA-N 1 0 391.313 2.919 20 0 GFADRO CN1C(=O)C[C@@H](C(=O)NCC2([NH+](C)C)CC2)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000416307814 563815479 /nfs/dbraw/zinc/81/54/79/563815479.db2.gz MUZBGZQQOVWPBG-MLGOLLRUSA-N 1 0 384.307 2.723 20 0 GFADRO CCCNC(=O)C[NH2+]C1(Cc2ccc(F)cc2Br)CCOCC1 ZINC000293500043 563815909 /nfs/dbraw/zinc/81/59/09/563815909.db2.gz HGLUKPDPTZHEPR-UHFFFAOYSA-N 1 0 387.293 2.796 20 0 GFADRO COC(=O)c1cc(Br)cc(C(=O)N2C[C@H]([NH+]3CCCC3)C[C@H]2C)c1 ZINC000293508749 563815962 /nfs/dbraw/zinc/81/59/62/563815962.db2.gz ZJSWVVXQVGFCBH-MLGOLLRUSA-N 1 0 395.297 2.935 20 0 GFADRO COC(=O)Cc1csc(NC(=O)CN2C[C@@H](c3cccs3)C[C@H]2C)n1 ZINC000366617440 563816241 /nfs/dbraw/zinc/81/62/41/563816241.db2.gz DHGOSIBRBOHPTI-NEPJUHHUSA-N 1 0 379.507 2.737 20 0 GFADRO CS(=O)(=O)c1ccc(OCC[NH2+]Cc2cnc(C(F)(F)F)s2)cc1 ZINC000443973719 563816945 /nfs/dbraw/zinc/81/69/45/563816945.db2.gz ZVKRFAKVTKBRTG-UHFFFAOYSA-N 1 0 380.413 2.734 20 0 GFADRO CS(=O)(=O)Nc1ccc(OCC[NH2+]Cc2cnc(C(F)(F)F)s2)cc1 ZINC000443984586 563817844 /nfs/dbraw/zinc/81/78/44/563817844.db2.gz FYLFVKJWQLJJGM-UHFFFAOYSA-N 1 0 395.428 2.702 20 0 GFADRO COc1cc(OC)c(S(=O)(=O)NC[C@H](C)C[NH+]2CCCCC2)cc1Cl ZINC000416368364 563818208 /nfs/dbraw/zinc/81/82/08/563818208.db2.gz HEHSBVFXJYXKEU-ZDUSSCGKSA-N 1 0 390.933 2.758 20 0 GFADRO Cc1cc(S(=O)(=O)NC2CC[NH+](C3CC3)CC2)c(F)cc1Br ZINC000416373810 563819211 /nfs/dbraw/zinc/81/92/11/563819211.db2.gz MMYYGJVJPAAARY-UHFFFAOYSA-N 1 0 391.306 2.802 20 0 GFADRO COC(=O)c1c(Cl)cccc1S(=O)(=O)NCC[NH+](C(C)C)C(C)C ZINC000416375661 563819794 /nfs/dbraw/zinc/81/97/94/563819794.db2.gz ULJXTNJDUOGTPQ-UHFFFAOYSA-N 1 0 376.906 2.524 20 0 GFADRO CSCC[C@@H](NC(=O)c1ccccc1Cl)C(=O)N[C@@H](C)CCCC[NH3+] ZINC000293597178 563820270 /nfs/dbraw/zinc/82/02/70/563820270.db2.gz ZMTHPUUSDXEQRY-XJKSGUPXSA-N 1 0 385.961 2.825 20 0 GFADRO Nc1cc[nH+]cc1C(=O)NC[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000444161040 563823108 /nfs/dbraw/zinc/82/31/08/563823108.db2.gz NDFYVOYHJKNYHG-LBPRGKRZSA-N 1 0 375.270 2.513 20 0 GFADRO O=C(NC1CC[NH+](CCc2ccncc2)CC1)N1CCC=C(Br)C1 ZINC000366920277 563824325 /nfs/dbraw/zinc/82/43/25/563824325.db2.gz BSHQOIQZOKDWEK-UHFFFAOYSA-N 1 0 393.329 2.783 20 0 GFADRO CC[NH+]1CCC(CCNS(=O)(=O)c2cc(Cl)c(OC)cc2OC)CC1 ZINC000416408462 563824435 /nfs/dbraw/zinc/82/44/35/563824435.db2.gz QFGNBGMRVRLFBO-UHFFFAOYSA-N 1 0 390.933 2.758 20 0 GFADRO CCCS(=O)(=O)Nc1cccc(NC(=O)[C@]2([NH+](C)C)CCCSC2)c1 ZINC000366908910 563824462 /nfs/dbraw/zinc/82/44/62/563824462.db2.gz FLMYRRJYQUWHEU-KRWDZBQOSA-N 1 0 385.555 2.604 20 0 GFADRO O=C(NCc1ccc(-n2ccnc2)nc1)[C@@H]1COc2ccc(Br)cc21 ZINC000366962454 563826115 /nfs/dbraw/zinc/82/61/15/563826115.db2.gz NYDXKFHVPSONTF-OAHLLOKOSA-N 1 0 399.248 2.822 20 0 GFADRO COc1cc(OC)c(S(=O)(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)cc1Cl ZINC000416419187 563826516 /nfs/dbraw/zinc/82/65/16/563826516.db2.gz UEQZYHLKIYJSJB-RYUDHWBXSA-N 1 0 376.906 2.508 20 0 GFADRO COc1cc(OC)c(S(=O)(=O)N[C@H](C)C(C)(C)C[NH+](C)C)cc1Cl ZINC000416423799 563827393 /nfs/dbraw/zinc/82/73/93/563827393.db2.gz XKDAEKOIHAECCJ-LLVKDONJSA-N 1 0 378.922 2.612 20 0 GFADRO COc1cc(OC)c(S(=O)(=O)N[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)cc1Cl ZINC000416470054 563833578 /nfs/dbraw/zinc/83/35/78/563833578.db2.gz FROLQSGTHPDJPE-STQMWFEESA-N 1 0 390.933 2.756 20 0 GFADRO COC(=O)c1cccc(NC(=O)C[NH2+][C@@H](C)c2ccc(Br)cc2)n1 ZINC000444737048 563836516 /nfs/dbraw/zinc/83/65/16/563836516.db2.gz OQAMSNJOQLQGKD-NSHDSACASA-N 1 0 392.253 2.920 20 0 GFADRO Cc1cc(S(=O)(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)c(F)cc1Br ZINC000416483918 563836703 /nfs/dbraw/zinc/83/67/03/563836703.db2.gz OXUCUUVGIPWAJC-HNNXBMFYSA-N 1 0 391.306 2.613 20 0 GFADRO CCO[C@H]1C[C@@](CO)([NH2+]Cc2ccc(I)cc2)C1(C)C ZINC000444799573 563837712 /nfs/dbraw/zinc/83/77/12/563837712.db2.gz HZKUUYMEVKHKDL-HOCLYGCPSA-N 1 0 389.277 2.947 20 0 GFADRO CS(=O)(=O)N1CC[C@@H](C[N@@H+]2CC[C@H](c3ccc(C(F)(F)F)cc3)C2)C1 ZINC000367305025 563840042 /nfs/dbraw/zinc/84/00/42/563840042.db2.gz JHKCVBMIHRJUIK-ZFWWWQNUSA-N 1 0 376.444 2.776 20 0 GFADRO NC(=O)c1cnn2c1C[C@H](C[NH2+][C@@H]1CCc3sc(Br)cc31)CC2 ZINC000294379480 563840373 /nfs/dbraw/zinc/84/03/73/563840373.db2.gz RJRKALHDUUPWQG-BXKDBHETSA-N 1 0 395.326 2.646 20 0 GFADRO COCCOc1c(Cl)cc(S(=O)(=O)NC(C)(C)C[NH+](C)C)cc1Cl ZINC000416513439 563841335 /nfs/dbraw/zinc/84/13/35/563841335.db2.gz WEJIACQRCLFTHL-UHFFFAOYSA-N 1 0 399.340 2.637 20 0 GFADRO Cc1cc(Br)cc(S(=O)(=O)NCC2CC[NH+](C3CC3)CC2)c1 ZINC000445071615 563842447 /nfs/dbraw/zinc/84/24/47/563842447.db2.gz FLRIKPZNCMCOPB-UHFFFAOYSA-N 1 0 387.343 2.910 20 0 GFADRO COCc1ncsc1C(=O)N[C@@H]1CC[N@H+](Cc2cnc(C)s2)C[C@H]1C ZINC000367359935 563842430 /nfs/dbraw/zinc/84/24/30/563842430.db2.gz ABRQDAIHRCIBFI-BXUZGUMPSA-N 1 0 380.539 2.695 20 0 GFADRO O=S(=O)(c1c(Cl)cccc1Br)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000367473330 563845582 /nfs/dbraw/zinc/84/55/82/563845582.db2.gz DNVRIKFUAHGMEP-AWEZNQCLSA-N 1 0 393.734 2.867 20 0 GFADRO CC[NH+](CC)CCCNC(=O)[C@@H]1CC(=O)Nc2ccc(Br)cc21 ZINC000445246372 563845583 /nfs/dbraw/zinc/84/55/83/563845583.db2.gz DPKAXGJXSPTOQA-CQSZACIVSA-N 1 0 382.302 2.723 20 0 GFADRO COc1cccc([C@@H](CNC(=O)c2cc[nH]c(=O)c2Br)[NH+](C)C)c1 ZINC000445247562 563846142 /nfs/dbraw/zinc/84/61/42/563846142.db2.gz HFLGPCVXVBVWON-CQSZACIVSA-N 1 0 394.269 2.591 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)Cc1cc[nH]c(=O)c1Br)c1ccsc1 ZINC000445257077 563846899 /nfs/dbraw/zinc/84/68/99/563846899.db2.gz CGOZNHBPNPBPGA-GFCCVEGCSA-N 1 0 384.299 2.573 20 0 GFADRO CC[NH+](CC)CCSCC(=O)N[C@H]1CCC(=O)N(C)[C@@H]1c1cccs1 ZINC000367509755 563847185 /nfs/dbraw/zinc/84/71/85/563847185.db2.gz IGXZMOKAIXTHDQ-KSSFIOAISA-N 1 0 383.583 2.601 20 0 GFADRO Cc1ccc(Br)c(S(=O)(=O)NCC[C@H]2CCC[N@@H+](C)C2)c1 ZINC000416550610 563847285 /nfs/dbraw/zinc/84/72/85/563847285.db2.gz FHXVLNLHNZHKSU-CYBMUJFWSA-N 1 0 375.332 2.768 20 0 GFADRO O=C(c1cnn2cc(Br)cnc12)N1CCC[C@@H]([NH+]2CCCCC2)C1 ZINC000367529903 563848002 /nfs/dbraw/zinc/84/80/02/563848002.db2.gz XLLXEDBPTDFGHK-CQSZACIVSA-N 1 0 392.301 2.582 20 0 GFADRO Cc1cc(Br)cc(S(=O)(=O)NCC[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000416562887 563849405 /nfs/dbraw/zinc/84/94/05/563849405.db2.gz XHKHJVIPSVCVTA-ZDUSSCGKSA-N 1 0 375.332 2.768 20 0 GFADRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1Cc1ncc(I)s1 ZINC000367681295 563852361 /nfs/dbraw/zinc/85/23/61/563852361.db2.gz DDBAXTURQQNADU-WDEREUQCSA-N 1 0 377.295 2.806 20 0 GFADRO CS[C@@H]1CN(S(=O)(=O)c2cc(F)cc(Cl)c2)C[C@H]1[NH+]1CCCC1 ZINC000445709808 563852423 /nfs/dbraw/zinc/85/24/23/563852423.db2.gz PAKBJULEAARSHQ-HUUCEWRRSA-N 1 0 378.922 2.679 20 0 GFADRO CCOc1ccc(S(=O)(=O)N2C[C@@H](SC)[C@H]([NH+]3CCCC3)C2)c(C)c1 ZINC000445732995 563853089 /nfs/dbraw/zinc/85/30/89/563853089.db2.gz MQWCDWWFFXTIJZ-IAGOWNOFSA-N 1 0 384.567 2.594 20 0 GFADRO C[C@@H](c1ncc(Br)cn1)N1CCC(C)(C[NH+]2CCOCC2)CC1 ZINC000367758819 563854088 /nfs/dbraw/zinc/85/40/88/563854088.db2.gz XCTVSGRSZCHVSD-AWEZNQCLSA-N 1 0 383.334 2.734 20 0 GFADRO C[C@H]1c2cc(Cl)cc(Cl)c2CCN1C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000445899296 563855689 /nfs/dbraw/zinc/85/56/89/563855689.db2.gz VCDBJOJOLYSALN-JSGCOSHPSA-N 1 0 385.339 2.868 20 0 GFADRO C[N@@H+]1C[C@@H]2CN(S(=O)(=O)CCCC(F)(F)F)C[C@H]2[C@@H]1c1ccccc1 ZINC000367954088 563860042 /nfs/dbraw/zinc/86/00/42/563860042.db2.gz FRFIVKZFPKEDDJ-OAGGEKHMSA-N 1 0 376.444 2.893 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)N1C[C@H](C)[N@@H+](CCO)C[C@H]1C ZINC000416760074 563861435 /nfs/dbraw/zinc/86/14/35/563861435.db2.gz IGVKSDXZUGZDJR-UONOGXRCSA-N 1 0 384.318 2.985 20 0 GFADRO O=C(Nc1ccc(I)cc1)N[C@@H]1CCc2[nH]cnc2C1 ZINC000368001052 563861523 /nfs/dbraw/zinc/86/15/23/563861523.db2.gz MTVUBICVXRFDKY-LLVKDONJSA-N 1 0 382.205 2.693 20 0 GFADRO COc1ccc(Br)c(CC(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000368023813 563862070 /nfs/dbraw/zinc/86/20/70/563862070.db2.gz UYXJSLFPEAABOF-GUYCJALGSA-N 1 0 381.314 2.991 20 0 GFADRO COc1ccc([C@H](C)NC(=O)N[C@@H](CC[NH3+])C(F)F)cc1Br ZINC000416886701 563862427 /nfs/dbraw/zinc/86/24/27/563862427.db2.gz HCLWHHPWNBARLA-KWQFWETISA-N 1 0 380.233 2.800 20 0 GFADRO O=C(NCC1(c2ccc(Cl)cc2Cl)CCOCC1)[C@H]1C[C@H](F)C[NH2+]1 ZINC000446381177 563863520 /nfs/dbraw/zinc/86/35/20/563863520.db2.gz VFGSAQIULLJBHW-SWLSCSKDSA-N 1 0 375.271 2.858 20 0 GFADRO O=C(NCC1([NH+]2CCSCC2)CCCCC1)N1CCc2ncsc2C1 ZINC000446681826 563867690 /nfs/dbraw/zinc/86/76/90/563867690.db2.gz LUCGTQXFOQGCNY-UHFFFAOYSA-N 1 0 380.583 2.963 20 0 GFADRO CCOc1c(Br)cc(C(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1OC ZINC000368372085 563869633 /nfs/dbraw/zinc/86/96/33/563869633.db2.gz ZTAMEBDDELJQBC-RISCZKNCSA-N 1 0 383.286 2.680 20 0 GFADRO C[C@@H](NC(=O)N1CCC(C[NH3+])CC1)c1cc2c(cc1Br)OCCO2 ZINC000417168047 563869700 /nfs/dbraw/zinc/86/97/00/563869700.db2.gz AFQJTSQUSKWOIT-LLVKDONJSA-N 1 0 398.301 2.662 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000446921677 563870407 /nfs/dbraw/zinc/87/04/07/563870407.db2.gz IAEGTKSQGOUORE-VNQPRFMTSA-N 1 0 393.336 2.866 20 0 GFADRO COc1cc(Br)c(C[NH2+][C@H]2CCCN(c3ccncn3)C2)cc1O ZINC000368463378 563871877 /nfs/dbraw/zinc/87/18/77/563871877.db2.gz ZJFFOKUJZQVMOU-ZDUSSCGKSA-N 1 0 393.285 2.712 20 0 GFADRO O=C(NCCC[NH2+]Cc1cccnc1)NCc1cc(F)cc(Br)c1 ZINC000417202910 563872802 /nfs/dbraw/zinc/87/28/02/563872802.db2.gz NYRYYJAHJOJYDP-UHFFFAOYSA-N 1 0 395.276 2.962 20 0 GFADRO O=C(Cc1ccc(F)c(Br)c1)N1CCN[C@@H](c2cccnc2)C1 ZINC000368516583 563873094 /nfs/dbraw/zinc/87/30/94/563873094.db2.gz CUNZQQCTBJPMQV-MRXNPFEDSA-N 1 0 378.245 2.699 20 0 GFADRO COc1ccc(Br)cc1C[NH2+][C@@H]1CCCN(c2ccnn2C)C1 ZINC000447073628 563874159 /nfs/dbraw/zinc/87/41/59/563874159.db2.gz XMKOBCTXBIOGDT-OAHLLOKOSA-N 1 0 379.302 2.950 20 0 GFADRO C[N@@H+]1CC[C@H]2CCN(C(=O)c3csc(I)c3)C[C@H]21 ZINC000368588148 563874731 /nfs/dbraw/zinc/87/47/31/563874731.db2.gz FLVDUWXXNIUKMB-GXSJLCMTSA-N 1 0 376.263 2.519 20 0 GFADRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)NC[C@H]2CCN(c3cccc(Br)c3)C2)C1 ZINC000417257807 563875325 /nfs/dbraw/zinc/87/53/25/563875325.db2.gz DFPYFONNFZEOLO-IIAWOOMASA-N 1 0 395.345 2.702 20 0 GFADRO COc1ccc(CNC(=O)N2CC[C@H]3CC[N@H+](C)C[C@@H]32)cc1Br ZINC000368603307 563875511 /nfs/dbraw/zinc/87/55/11/563875511.db2.gz QHJOJGMEGCMAQD-HIFRSBDPSA-N 1 0 382.302 2.693 20 0 GFADRO C[N@@H+]1CCCN(C(=O)Nc2c(F)cc(I)cc2F)CC1 ZINC000417282288 563876362 /nfs/dbraw/zinc/87/63/62/563876362.db2.gz ABXJUIDKRCDRJG-UHFFFAOYSA-N 1 0 395.191 2.739 20 0 GFADRO CO[C@@H]1CCN(C(=O)N[C@H](C)Cc2cccc(Br)c2)[C@@H](C[NH3+])C1 ZINC000417288557 563876817 /nfs/dbraw/zinc/87/68/17/563876817.db2.gz RVQDPTSSVLJORZ-DAXOMENPSA-N 1 0 384.318 2.528 20 0 GFADRO Cc1sc(Br)cc1S(=O)(=O)NCC[N@H+]1CCCC[C@H]1C ZINC000447197651 563876918 /nfs/dbraw/zinc/87/69/18/563876918.db2.gz CFOHXZQCOIEVSA-SNVBAGLBSA-N 1 0 381.361 2.972 20 0 GFADRO C[C@@H](Cc1cccc(Br)c1)NC(=O)N1CCC(OCCC[NH3+])CC1 ZINC000417289961 563877228 /nfs/dbraw/zinc/87/72/28/563877228.db2.gz WAUOXCQXFPNDPG-AWEZNQCLSA-N 1 0 398.345 2.920 20 0 GFADRO Cc1ccc(-n2nc(Br)cc2C(=O)N[C@H]2CCC[NH2+]CC2)cc1 ZINC000368718572 563877630 /nfs/dbraw/zinc/87/76/30/563877630.db2.gz ITBLIMNSGFIEPA-ZDUSSCGKSA-N 1 0 377.286 2.815 20 0 GFADRO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000368710990 563877732 /nfs/dbraw/zinc/87/77/32/563877732.db2.gz ABMAOELMGSRWJT-GFCCVEGCSA-N 1 0 379.254 2.736 20 0 GFADRO COc1ccc(S(=O)(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c(Cl)c1Cl ZINC000447245723 563877786 /nfs/dbraw/zinc/87/77/86/563877786.db2.gz NMYSCHUKFLCAEJ-HBNTYKKESA-N 1 0 379.309 2.750 20 0 GFADRO [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NS(=O)(=O)Cc1ccc(Br)cc1 ZINC000447250291 563877929 /nfs/dbraw/zinc/87/79/29/563877929.db2.gz VZSXEKUPBCDVTO-YPXDRJKUSA-N 1 0 387.343 2.775 20 0 GFADRO CN(C(=O)NCc1cc(Br)ccc1OC(F)F)C1CC[NH2+]CC1 ZINC000417406604 563879288 /nfs/dbraw/zinc/87/92/88/563879288.db2.gz LELOTLVVIMJORQ-UHFFFAOYSA-N 1 0 392.244 2.944 20 0 GFADRO O=C(NCCC[NH2+]C1CC1)NCc1cc(Br)ccc1OC(F)F ZINC000417406371 563879364 /nfs/dbraw/zinc/87/93/64/563879364.db2.gz KZDAHIYQIUFZHE-UHFFFAOYSA-N 1 0 392.244 2.992 20 0 GFADRO COC[C@H](C)OC[C@H](O)C[N@H+]1CC=C(c2cccc(Br)c2)CC1 ZINC000447295820 563879794 /nfs/dbraw/zinc/87/97/94/563879794.db2.gz MNZYQLKYDUPMAQ-KBXCAEBGSA-N 1 0 384.314 2.951 20 0 GFADRO [NH3+][C@@H]1CCC[C@H](NC(=O)N[C@H]2CCN(c3ccc(Br)cc3)C2)C1 ZINC000417475420 563880579 /nfs/dbraw/zinc/88/05/79/563880579.db2.gz AXURQHUEYHNULG-ILXRZTDVSA-N 1 0 381.318 2.597 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)NCC[C@H]1CCC[NH2+]1 ZINC000417494203 563881196 /nfs/dbraw/zinc/88/11/96/563881196.db2.gz XERMQEZXFJEQHR-CQSZACIVSA-N 1 0 397.317 2.527 20 0 GFADRO CC1(O)C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000368907439 563881779 /nfs/dbraw/zinc/88/17/79/563881779.db2.gz SWJJFZSFYHKTRY-INYHJIAOSA-N 1 0 379.298 2.932 20 0 GFADRO [NH3+]CC[C@@H](NC(=O)NCC1(c2ccccc2Cl)CCOCC1)C(F)F ZINC000417532135 563882180 /nfs/dbraw/zinc/88/21/80/563882180.db2.gz SFRYCAFWZCJQQT-CQSZACIVSA-N 1 0 375.847 2.670 20 0 GFADRO C[C@@H]1CN(C2CC2)C[C@H]1[NH2+][C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000447576785 563882984 /nfs/dbraw/zinc/88/29/84/563882984.db2.gz CHQNMWNMHCQXRD-CSMYWGQOSA-N 1 0 378.314 2.627 20 0 GFADRO COCC[C@H](Cc1cccc(Br)c1)C(=O)N[C@H]1CC[NH2+][C@@H](C)C1 ZINC000447520410 563883055 /nfs/dbraw/zinc/88/30/55/563883055.db2.gz TXWTVBWZBWCMDK-LXZKKBNFSA-N 1 0 383.330 2.901 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000369037886 563884639 /nfs/dbraw/zinc/88/46/39/563884639.db2.gz AEKZLKFGZLMBLA-HZPDHXFCSA-N 1 0 382.302 2.820 20 0 GFADRO CN(Cc1ccc(Br)s1)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000369029870 563885059 /nfs/dbraw/zinc/88/50/59/563885059.db2.gz ZIXXPYNIMCKROG-RYUDHWBXSA-N 1 0 388.331 2.515 20 0 GFADRO [NH3+]CC[C@@H]1CCCN(C(=O)N[C@@H]2CCN(c3ccccc3Br)C2)C1 ZINC000417592028 563885667 /nfs/dbraw/zinc/88/56/67/563885667.db2.gz DXPXVUIAUJOPNT-LSDHHAIUSA-N 1 0 395.345 2.798 20 0 GFADRO [NH3+][C@H]1CCC[C@]12CCN(S(=O)(=O)c1cccc(Cl)c1Br)C2 ZINC000369076959 563886253 /nfs/dbraw/zinc/88/62/53/563886253.db2.gz LKCHHKPSUJROMM-GXTWGEPZSA-N 1 0 393.734 2.995 20 0 GFADRO Cc1nn(C)c(CNCC2([NH+]3CCCCC3)CCOCC2)c1Br ZINC000369091285 563886773 /nfs/dbraw/zinc/88/67/73/563886773.db2.gz ICXYTQFJPYPNBL-UHFFFAOYSA-N 1 0 385.350 2.616 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)NC[C@@H](C)Oc2ccc(Br)cc2)C1 ZINC000417767236 563888621 /nfs/dbraw/zinc/88/86/21/563888621.db2.gz BGSOBDUGRKMYKM-MGPQQGTHSA-N 1 0 384.318 2.985 20 0 GFADRO C[C@@H](CNC(=O)N1CCC[C@@H](CC[NH3+])C1)Oc1ccccc1Br ZINC000417825298 563889721 /nfs/dbraw/zinc/88/97/21/563889721.db2.gz MYVWWFSJTMIDMM-KBPBESRZSA-N 1 0 384.318 2.987 20 0 GFADRO COCCOC[C@@H]1CC[N@H+](Cc2ccc(F)cc2I)C1 ZINC000417806968 563889797 /nfs/dbraw/zinc/88/97/97/563889797.db2.gz HEZRABJSIMDGCA-GFCCVEGCSA-N 1 0 393.240 2.915 20 0 GFADRO C[C@@H](NC(=O)N1CCC[NH2+]CC1)c1nc(-c2ccc(Br)cc2)no1 ZINC000417879750 563890463 /nfs/dbraw/zinc/89/04/63/563890463.db2.gz BRFDFOYSTQLPEI-LLVKDONJSA-N 1 0 394.273 2.565 20 0 GFADRO Cc1nn(C)c(C[NH2+]C[C@@H](Cc2ccccc2Cl)C(N)=O)c1Br ZINC000447894517 563890725 /nfs/dbraw/zinc/89/07/25/563890725.db2.gz UAPLRXKBABNRAF-GFCCVEGCSA-N 1 0 399.720 2.578 20 0 GFADRO O=C(C[NH2+][C@H](CO)[C@H]1CCCO1)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000447901547 563890729 /nfs/dbraw/zinc/89/07/29/563890729.db2.gz CGXQPAKNJAPQAN-IXDOHACOSA-N 1 0 387.307 2.786 20 0 GFADRO COCC[N@@H+]1CCC[C@H]1CNCc1ccc(F)cc1I ZINC000417899453 563890947 /nfs/dbraw/zinc/89/09/47/563890947.db2.gz KVPQIZWECRLLSI-AWEZNQCLSA-N 1 0 392.256 2.631 20 0 GFADRO C[C@@H](Cc1ccc(F)c(Br)c1)NC(=O)N[C@@H](CC[NH3+])C(F)F ZINC000417893782 563890980 /nfs/dbraw/zinc/89/09/80/563890980.db2.gz FGUKUSBNBLSJSK-UFBFGSQYSA-N 1 0 382.224 2.801 20 0 GFADRO C[NH2+][C@H]1CCN(C(=O)N[C@@H](C)c2nc(-c3ccc(Br)cc3)no2)C1 ZINC000417889860 563891075 /nfs/dbraw/zinc/89/10/75/563891075.db2.gz JYHWBYHJEYISLD-GWCFXTLKSA-N 1 0 394.273 2.563 20 0 GFADRO Cc1nn(C)c(C[NH2+]C[C@H](c2ccccc2)N2CCOCC2)c1Br ZINC000447933752 563891394 /nfs/dbraw/zinc/89/13/94/563891394.db2.gz YCPQEOFAKKIZOJ-MRXNPFEDSA-N 1 0 393.329 2.654 20 0 GFADRO CC[C@H](Cc1ccccc1Br)NC(=O)N1CC[C@@H](OC)C[C@@H]1C[NH3+] ZINC000417901300 563891656 /nfs/dbraw/zinc/89/16/56/563891656.db2.gz VKROBYCYJZFXHY-BZUAXINKSA-N 1 0 398.345 2.918 20 0 GFADRO O=C(c1nn(-c2ccc(F)cc2)cc1Br)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000369337140 563892459 /nfs/dbraw/zinc/89/24/59/563892459.db2.gz AEWSXLJRBMSADP-NHYWBVRUSA-N 1 0 393.260 2.598 20 0 GFADRO O=S1(=O)CC[C@@H]([NH2+]C2CCN(CCc3cc(Cl)cc(Cl)c3)CC2)C1 ZINC000369333787 563892500 /nfs/dbraw/zinc/89/25/00/563892500.db2.gz GPURKVMKXROPMP-QGZVFWFLSA-N 1 0 391.364 2.777 20 0 GFADRO C[NH+](C)[C@@]1(CNCc2ccc(F)cc2I)CCSC1 ZINC000417957202 563893038 /nfs/dbraw/zinc/89/30/38/563893038.db2.gz JBFPXRIFHUGUBB-CQSZACIVSA-N 1 0 394.297 2.957 20 0 GFADRO C[C@@H](NC(=O)NCCOc1ccc(Br)cc1C(F)(F)F)[C@H](C)[NH3+] ZINC000417957946 563893137 /nfs/dbraw/zinc/89/31/37/563893137.db2.gz UZRXSLIUGPQSBU-DTWKUNHWSA-N 1 0 398.223 2.882 20 0 GFADRO O=C(NCCSCc1ccc(Cl)cc1Cl)NC[C@@H]1C[NH2+]CCCO1 ZINC000417974965 563893603 /nfs/dbraw/zinc/89/36/03/563893603.db2.gz DXJZQUSRNRRFQG-AWEZNQCLSA-N 1 0 392.352 2.904 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)N[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)CC[NH2+]1 ZINC000417977488 563893660 /nfs/dbraw/zinc/89/36/60/563893660.db2.gz CBWJEQBHQYJNEU-UEKVPHQBSA-N 1 0 385.295 2.538 20 0 GFADRO COc1cc(Br)ccc1CCCNC(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000417998659 563894015 /nfs/dbraw/zinc/89/40/15/563894015.db2.gz HIXJOWZTJXNYHB-GOEBONIOSA-N 1 0 396.329 2.784 20 0 GFADRO O=C(NCCOc1c(Cl)cc(Br)cc1Cl)N1CC[NH2+]CC1 ZINC000417995974 563894218 /nfs/dbraw/zinc/89/42/18/563894218.db2.gz GJAJAHURBTXADP-UHFFFAOYSA-N 1 0 397.100 2.750 20 0 GFADRO C[C@@H]1[C@@H](NC(=O)Nc2ccnn2-c2ccc(Br)cn2)CCC[N@@H+]1C ZINC000448131374 563894551 /nfs/dbraw/zinc/89/45/51/563894551.db2.gz XGKTXJWLKVJBLO-YPMHNXCESA-N 1 0 393.289 2.634 20 0 GFADRO O=C(NCCc1c[nH]c2ccc(Br)cc12)NCC[C@H]1CC[NH2+]C1 ZINC000418004204 563894665 /nfs/dbraw/zinc/89/46/65/563894665.db2.gz NTSPDAVKTYBAKY-GFCCVEGCSA-N 1 0 379.302 2.772 20 0 GFADRO COc1cc(Br)ccc1CCCNC(=O)N1C[C@H](C)[NH2+]C[C@@H]1C ZINC000418007916 563894958 /nfs/dbraw/zinc/89/49/58/563894958.db2.gz RVYZPQGRRJKRST-STQMWFEESA-N 1 0 384.318 2.782 20 0 GFADRO C[C@H](CCCC[NH3+])NC(=O)N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000418009113 563895260 /nfs/dbraw/zinc/89/52/60/563895260.db2.gz RTMAYFWLIALPBN-ABAIWWIYSA-N 1 0 387.311 2.915 20 0 GFADRO OC[C@H]([NH2+]C1CCN(Cc2ccccc2Br)CC1)[C@@H]1CCCO1 ZINC000448278845 563895752 /nfs/dbraw/zinc/89/57/52/563895752.db2.gz PMJPRLFPUQRDJZ-ROUUACIJSA-N 1 0 383.330 2.543 20 0 GFADRO CO[C@H]1CCN(C(=O)N[C@H](C)c2ccc(Br)s2)[C@H](C[NH3+])C1 ZINC000418057746 563897044 /nfs/dbraw/zinc/89/70/44/563897044.db2.gz NJMIGSMUBWQBKN-VWYCJHECSA-N 1 0 376.320 2.719 20 0 GFADRO O=C(NCCc1c[nH]c2cc(Cl)cc(Cl)c12)NC[C@@H]1C[NH2+]CCCO1 ZINC000418065065 563897269 /nfs/dbraw/zinc/89/72/69/563897269.db2.gz KQDMFKBLEGBFQY-ZDUSSCGKSA-N 1 0 385.295 2.695 20 0 GFADRO CCn1c(CNC(=O)N2C[C@H](C[NH3+])C[C@@H]2C)nc2cc(Br)ccc21 ZINC000418064124 563897275 /nfs/dbraw/zinc/89/72/75/563897275.db2.gz IYFKYPVICKWJDJ-RYUDHWBXSA-N 1 0 394.317 2.697 20 0 GFADRO [NH3+]C[C@H]1CC[C@@H](NC(=O)NCc2cnn(-c3ccc(Br)cc3)c2)C1 ZINC000418087189 563898045 /nfs/dbraw/zinc/89/80/45/563898045.db2.gz GDTHASNAUDBEKK-SWLSCSKDSA-N 1 0 392.301 2.561 20 0 GFADRO [NH3+]CCCOC1CCN(C(=O)N[C@@H]2C[C@H]2c2ccccc2Br)CC1 ZINC000418116772 563899401 /nfs/dbraw/zinc/89/94/01/563899401.db2.gz BJJXSQWAWOUUCJ-DOTOQJQBSA-N 1 0 396.329 2.844 20 0 GFADRO CCC[NH2+]CCNC(=O)NCc1ccc(I)cc1Cl ZINC000418127143 563899504 /nfs/dbraw/zinc/89/95/04/563899504.db2.gz QKSNNEXBERTWBK-UHFFFAOYSA-N 1 0 395.672 2.743 20 0 GFADRO COCC[N@H+](C)CCCNC(=O)CCc1cccc(F)c1Br ZINC000448690055 563900072 /nfs/dbraw/zinc/90/00/72/563900072.db2.gz KQUPAKFVEMPKET-UHFFFAOYSA-N 1 0 375.282 2.605 20 0 GFADRO Cc1cc(CNC(=O)NCCC[NH2+]C2CC2)ccc1I ZINC000418145275 563900070 /nfs/dbraw/zinc/90/00/70/563900070.db2.gz XANPOXCTPBCRAM-UHFFFAOYSA-N 1 0 387.265 2.541 20 0 GFADRO [NH3+]CC[C@@H]1CCCN(C(=O)N[C@@H]2COc3cc(F)c(Br)cc32)C1 ZINC000418170233 563900480 /nfs/dbraw/zinc/90/04/80/563900480.db2.gz ZCESZVULWWMBGA-IINYFYTJSA-N 1 0 386.265 2.792 20 0 GFADRO Cc1cc(Br)cc(C)c1N1CCC[C@@H](NC(=O)N[C@H](C)C[NH3+])C1 ZINC000418179974 563900725 /nfs/dbraw/zinc/90/07/25/563900725.db2.gz KFUUHEAEDUKKTN-UKRRQHHQSA-N 1 0 383.334 2.681 20 0 GFADRO C[C@@H]([NH3+])c1ccc(CNC(=O)NCCCn2cc(Br)cn2)cc1 ZINC000418185011 563900759 /nfs/dbraw/zinc/90/07/59/563900759.db2.gz AIAKRIFNDQZGNC-GFCCVEGCSA-N 1 0 380.290 2.555 20 0 GFADRO Cc1ccc(C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)c(Cl)c1Cl ZINC000448903629 563903072 /nfs/dbraw/zinc/90/30/72/563903072.db2.gz IFOCGWWXIFALGT-UHFFFAOYSA-N 1 0 384.307 2.682 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[N@H+](C)C[C@@H]1CCC[C@H]1O ZINC000449044359 563906130 /nfs/dbraw/zinc/90/61/30/563906130.db2.gz DIUJYXQHRNSPHL-HEHGZKQESA-N 1 0 399.329 2.555 20 0 GFADRO CC(=O)N1CCN(CC[NH2+]C2CC(c3ccc(Br)cc3F)C2)CC1 ZINC000449078604 563906405 /nfs/dbraw/zinc/90/64/05/563906405.db2.gz MCOKBPQTKFCZHO-UHFFFAOYSA-N 1 0 398.320 2.588 20 0 GFADRO COCC(=O)N1CCC([NH2+][C@H](C)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000449132534 563906870 /nfs/dbraw/zinc/90/68/70/563906870.db2.gz UXBMFUMHGHSJJY-GFCCVEGCSA-N 1 0 375.296 2.988 20 0 GFADRO CN1CCN(C(=O)CC[NH2+]C2CC(c3ccc(Br)cc3F)C2)CC1 ZINC000449124140 563907135 /nfs/dbraw/zinc/90/71/35/563907135.db2.gz FQTCWULLVAQNMG-UHFFFAOYSA-N 1 0 398.320 2.588 20 0 GFADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+]CC1(CCO)CCC1 ZINC000449193145 563907750 /nfs/dbraw/zinc/90/77/50/563907750.db2.gz VIQZQWCLUXPTBD-CYBMUJFWSA-N 1 0 399.329 2.605 20 0 GFADRO CC(C)C[C@@H]([NH2+]Cc1cccc(S(C)(=O)=O)c1)C(=O)Nc1nccs1 ZINC000449211628 563908096 /nfs/dbraw/zinc/90/80/96/563908096.db2.gz ICJSGPRDUUFGHR-OAHLLOKOSA-N 1 0 381.523 2.690 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]Cc1cncc(C)c1 ZINC000449208934 563908194 /nfs/dbraw/zinc/90/81/94/563908194.db2.gz QFSSTQMGFIMSEF-ZDUSSCGKSA-N 1 0 392.297 2.956 20 0 GFADRO CS(=O)(=O)N1CCC[C@@H]1C[NH2+][C@H]1CCc2c1ccc(F)c2Br ZINC000449216005 563908373 /nfs/dbraw/zinc/90/83/73/563908373.db2.gz PLRYXSZETUQXKZ-YGRLFVJLSA-N 1 0 391.306 2.589 20 0 GFADRO CS(=O)(=O)N1CCC([NH2+][C@H]2CCCc3ccc(Br)cc32)CC1 ZINC000537970336 564178299 /nfs/dbraw/zinc/17/82/99/564178299.db2.gz QONXAEIIQUOEDF-INIZCTEOSA-N 1 0 387.343 2.840 20 0 GFADRO CS(=O)(=O)N1CCC([NH2+][C@@H]2CCCc3ccc(Br)cc32)CC1 ZINC000537970337 564178456 /nfs/dbraw/zinc/17/84/56/564178456.db2.gz QONXAEIIQUOEDF-MRXNPFEDSA-N 1 0 387.343 2.840 20 0 GFADRO Cc1sc2nc(CS[C@H](C)C(=O)N[C@H](C)C[C@@H](C)[NH3+])[nH]c(=O)c2c1C ZINC000563168791 564178759 /nfs/dbraw/zinc/17/87/59/564178759.db2.gz APLPNDDWRHUMBX-KBVBSXBZSA-N 1 0 382.555 2.877 20 0 GFADRO [NH3+]C1(CNC(=O)C(=O)c2ccc(Br)cc2)C2CC3CC(C2)CC1C3 ZINC000563169812 564178883 /nfs/dbraw/zinc/17/88/83/564178883.db2.gz MTYUZZGDCOTBJN-UHFFFAOYSA-N 1 0 391.309 2.902 20 0 GFADRO CCN(CCC[NH+](C)C)C(=O)[C@@H]1CSCN1C(=O)c1ccc(Cl)cc1 ZINC000470848787 564179189 /nfs/dbraw/zinc/17/91/89/564179189.db2.gz OJDAFGJBUHEOLU-INIZCTEOSA-N 1 0 383.945 2.655 20 0 GFADRO CC(C)(C)[C@H](O)C[C@@H](CO)[NH2+]Cc1ccc(I)cc1 ZINC000449316226 564179642 /nfs/dbraw/zinc/17/96/42/564179642.db2.gz XRTNBXIVLGVAHT-UONOGXRCSA-N 1 0 377.266 2.539 20 0 GFADRO C[C@H](C[NH2+]Cc1ccc(C[S@@](C)=O)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000449319488 564180630 /nfs/dbraw/zinc/18/06/30/564180630.db2.gz KBXNEDLOLOARNK-OYLFLEFRSA-N 1 0 379.547 2.862 20 0 GFADRO CO[C@@]1(C)CCC[N@H+](CC(=O)N(C)CCOc2ccc(Br)cc2)C1 ZINC000470923397 564180714 /nfs/dbraw/zinc/18/07/14/564180714.db2.gz KXBCQIIRCSNINE-SFHVURJKSA-N 1 0 399.329 2.787 20 0 GFADRO CCC[C@@H](C[NH2+]Cc1cc(Br)ccc1O[C@@H](C)C(=O)NC)OC ZINC000449373928 564181882 /nfs/dbraw/zinc/18/18/82/564181882.db2.gz CYFSXGFILQASCM-WFASDCNBSA-N 1 0 387.318 2.867 20 0 GFADRO CC[N@@H+](Cc1cc(Br)ccc1O[C@@H](C)C(=O)NC)C[C@H](C)OC ZINC000449336936 564181902 /nfs/dbraw/zinc/18/19/02/564181902.db2.gz PSRSAOULVWBOSQ-STQMWFEESA-N 1 0 387.318 2.819 20 0 GFADRO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]C[C@@H]1CCCCN1CCO ZINC000449394601 564184318 /nfs/dbraw/zinc/18/43/18/564184318.db2.gz OCHXUJQYCVVRMM-PBHICJAKSA-N 1 0 398.345 2.603 20 0 GFADRO COCC[N@H+](C)CCCNC(=O)C1(c2cc(F)cc(Br)c2)CC1 ZINC000505506001 564184510 /nfs/dbraw/zinc/18/45/10/564184510.db2.gz JGOXWSPNZHBQPB-UHFFFAOYSA-N 1 0 387.293 2.704 20 0 GFADRO CCC[NH+]1CCC(NC(=O)C(=O)Nc2nc(-c3cccs3)cs2)CC1 ZINC000471063645 564184462 /nfs/dbraw/zinc/18/44/62/564184462.db2.gz SZPJAFUVDONQMG-UHFFFAOYSA-N 1 0 378.523 2.801 20 0 GFADRO [NH3+]CCC1CCN(C(=O)c2cnn(-c3cccc(Br)c3)c2)CC1 ZINC000563339125 564186403 /nfs/dbraw/zinc/18/64/03/564186403.db2.gz PZFJECNEQOEUOI-UHFFFAOYSA-N 1 0 377.286 2.836 20 0 GFADRO O[C@@H]1C[C@H]([C@H]2CCCOC2)[N@H+](Cc2cc(Br)cc3c2OCC3)C1 ZINC000449433859 564186953 /nfs/dbraw/zinc/18/69/53/564186953.db2.gz ODEOVGVGERIHTA-IAOVAPTHSA-N 1 0 382.298 2.746 20 0 GFADRO COC[C@@]1(C(=O)OC)CC[N@H+](CC2=Cc3cc(Br)ccc3OC2)C1 ZINC000449458097 564187961 /nfs/dbraw/zinc/18/79/61/564187961.db2.gz VLZXFXDCTHFVHH-GOSISDBHSA-N 1 0 396.281 2.736 20 0 GFADRO O[C@]1(C(F)F)CC[N@H+](CCCOc2cccc(I)c2)C1 ZINC000449476274 564187971 /nfs/dbraw/zinc/18/79/71/564187971.db2.gz VIEIPWXVWFXKBY-CQSZACIVSA-N 1 0 397.203 2.762 20 0 GFADRO COC(=O)C[C@@](C)([NH2+]CCCC(=O)N(C)C)c1ccc(Br)cc1 ZINC000563364547 564188536 /nfs/dbraw/zinc/18/85/36/564188536.db2.gz PGSXNSMBQIRADZ-QGZVFWFLSA-N 1 0 385.302 2.685 20 0 GFADRO Cc1cc(Br)c(C(=O)NC[C@@]2(O)C[NH+]3CCC2CC3)cc1Cl ZINC000563398282 564189576 /nfs/dbraw/zinc/18/95/76/564189576.db2.gz YYPBXNSBFVQTSN-MRXNPFEDSA-N 1 0 387.705 2.597 20 0 GFADRO COc1ccc([C@@H](C)[NH2+][C@@H]2CCCN(S(C)(=O)=O)C2)c(Br)c1 ZINC000538393326 564189648 /nfs/dbraw/zinc/18/96/48/564189648.db2.gz WRSUNVNSYNCDLK-VXGBXAGGSA-N 1 0 391.331 2.532 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)C2(c3cccc(Br)c3)CC(=O)C2)C[N@@H+]1C1CC1 ZINC000538388510 564189911 /nfs/dbraw/zinc/18/99/11/564189911.db2.gz GAJLYVZGVSVSPB-IUODEOHRSA-N 1 0 391.309 2.791 20 0 GFADRO CCOc1cc(Br)c(CC(=O)N2C[C@@H](C)[NH2+]C[C@@H]2C)cc1OCC ZINC000505823516 564190892 /nfs/dbraw/zinc/19/08/92/564190892.db2.gz FFFPUKYIVBOXSK-OLZOCXBDSA-N 1 0 399.329 2.998 20 0 GFADRO Cc1c(I)cccc1C(=O)N(C)[C@H]1C[NH+]2CCC1CC2 ZINC000471284167 564191532 /nfs/dbraw/zinc/19/15/32/564191532.db2.gz XLEYYHLVVXBJEV-HNNXBMFYSA-N 1 0 384.261 2.766 20 0 GFADRO C[C@@H](C[NH2+]Cc1nn(C)cc1I)CC1CCOCC1 ZINC000449605408 564191929 /nfs/dbraw/zinc/19/19/29/564191929.db2.gz NCDBRTMFABYMRS-LLVKDONJSA-N 1 0 377.270 2.567 20 0 GFADRO COCCn1cc(C[NH2+]C[C@H](CO)Cc2ccc(C)c(Br)c2)cn1 ZINC000449602890 564191976 /nfs/dbraw/zinc/19/19/76/564191976.db2.gz VBASZQCSYBNFPF-MRXNPFEDSA-N 1 0 396.329 2.541 20 0 GFADRO COc1ccc(C[NH2+]C[C@H](CO)Cc2ccc(OC)c(Br)c2)cn1 ZINC000449600923 564192265 /nfs/dbraw/zinc/19/22/65/564192265.db2.gz PTOAUWRQXPHDEX-OAHLLOKOSA-N 1 0 395.297 2.802 20 0 GFADRO CN(C(=O)Nc1cc(Br)cnc1OCC(F)(F)F)[C@H]1CC[NH2+]C1 ZINC000563462146 564192351 /nfs/dbraw/zinc/19/23/51/564192351.db2.gz PERIYTCRJINPRX-VIFPVBQESA-N 1 0 397.195 2.611 20 0 GFADRO C[C@H](Cn1cc(Br)cn1)[NH2+][C@@H](C)C(=O)N1c2ccccc2C[C@H]1C ZINC000449645282 564193424 /nfs/dbraw/zinc/19/34/24/564193424.db2.gz JEUQJLCICQQKHT-MCIONIFRSA-N 1 0 391.313 2.990 20 0 GFADRO C[C@@H](Cn1cc(Br)cn1)Nc1ccc(N2CC[C@H]([NH+](C)C)C2)cn1 ZINC000538558507 564193462 /nfs/dbraw/zinc/19/34/62/564193462.db2.gz DONUIAMNOYNKHE-BBRMVZONSA-N 1 0 393.333 2.682 20 0 GFADRO COc1cc(Cl)c(C[N@@H+]2CCC[C@H]2C[C@@]2(C)NC(=O)NC2=O)cc1Cl ZINC000563481650 564193625 /nfs/dbraw/zinc/19/36/25/564193625.db2.gz FWCNEYQUJTURBU-APPDUMDISA-N 1 0 386.279 2.955 20 0 GFADRO O[C@@H]([C@H]1CC[N@H+](Cc2c(Cl)cccc2N2CCOCC2)C1)C(F)(F)F ZINC000449671895 564193994 /nfs/dbraw/zinc/19/39/94/564193994.db2.gz LAYBJUKDUZMTDP-LRDDRELGSA-N 1 0 378.822 2.922 20 0 GFADRO CCN(Cc1ccccc1Br)C(=O)NCCC[N@H+](C)CCOC ZINC000538603626 564194368 /nfs/dbraw/zinc/19/43/68/564194368.db2.gz OBFSNSKPRRNDCJ-UHFFFAOYSA-N 1 0 386.334 2.949 20 0 GFADRO C[C@@H](Cn1cc(Br)cn1)[NH2+]C[C@H](c1nnc[nH]1)c1ccccc1 ZINC000449672968 564194750 /nfs/dbraw/zinc/19/47/50/564194750.db2.gz YNBMNTLQZFCIJA-WFASDCNBSA-N 1 0 375.274 2.574 20 0 GFADRO COc1ccc(Br)cc1C[C@@H](CO)C[NH2+]Cc1cn(C(C)C)nn1 ZINC000449678521 564195983 /nfs/dbraw/zinc/19/59/83/564195983.db2.gz FNRIDNMUATUQIP-CYBMUJFWSA-N 1 0 397.317 2.571 20 0 GFADRO COc1ccc(Br)cc1C[C@H](CO)C[NH2+][C@H](C)CCn1cccn1 ZINC000449679923 564196128 /nfs/dbraw/zinc/19/61/28/564196128.db2.gz IXZNKGOXXLUYMI-CABCVRRESA-N 1 0 396.329 2.874 20 0 GFADRO COc1cccc(C[NH2+]C[C@@H](CO)Cc2ccc(F)c(Br)c2)n1 ZINC000449686016 564197251 /nfs/dbraw/zinc/19/72/51/564197251.db2.gz UZYQGRMPHYZJPA-ZDUSSCGKSA-N 1 0 383.261 2.933 20 0 GFADRO CC[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)NC1CC[NH+](C)CC1 ZINC000563553047 564197632 /nfs/dbraw/zinc/19/76/32/564197632.db2.gz IVEUFPNNJNQXIG-CQSZACIVSA-N 1 0 386.323 2.641 20 0 GFADRO CC1(C)C[NH2+]CC[C@@H]1NC(=O)c1cnn(-c2cccc(Br)c2)c1 ZINC000449708863 564197750 /nfs/dbraw/zinc/19/77/50/564197750.db2.gz WUEZSPQYEPMMSF-HNNXBMFYSA-N 1 0 377.286 2.753 20 0 GFADRO C[NH+](C)C1(CNS(=O)(=O)c2cc3c(cc2Cl)OCCO3)CCCCC1 ZINC000506264845 564199874 /nfs/dbraw/zinc/19/98/74/564199874.db2.gz SABBCKIHZUZLBE-UHFFFAOYSA-N 1 0 388.917 2.654 20 0 GFADRO O=S(=O)([C@@H]1CC[N@H+](Cc2ccccc2)C1)N(Cc1nccs1)C1CC1 ZINC000538755459 564200298 /nfs/dbraw/zinc/20/02/98/564200298.db2.gz WOKZCBCZMDNPJX-QGZVFWFLSA-N 1 0 377.535 2.712 20 0 GFADRO C[C@@H](C[NH+]1CCCCC1)NC(=O)NCCCCn1cc(Br)cn1 ZINC000471621054 564200471 /nfs/dbraw/zinc/20/04/71/564200471.db2.gz RXQGNBAJEOZTSL-AWEZNQCLSA-N 1 0 386.338 2.599 20 0 GFADRO CC[C@@H](NC(=O)NCCOCC[NH+](C)C)c1cc(F)cc(Br)c1 ZINC000471637823 564200732 /nfs/dbraw/zinc/20/07/32/564200732.db2.gz ZYPNXVPKNWQNDT-OAHLLOKOSA-N 1 0 390.297 2.917 20 0 GFADRO Cc1cc(Br)ccc1C[N@@H+]1CCC[C@](O)(C(=O)N2CCCC2)C1 ZINC000449764296 564200950 /nfs/dbraw/zinc/20/09/50/564200950.db2.gz AKBWUQGDOSUISW-GOSISDBHSA-N 1 0 381.314 2.707 20 0 GFADRO C[NH+](C)CCOCCNC(=O)NCCc1cc(Cl)ccc1Br ZINC000471646805 564201704 /nfs/dbraw/zinc/20/17/04/564201704.db2.gz XLNKICZNRJDFBG-UHFFFAOYSA-N 1 0 392.725 2.522 20 0 GFADRO OCCC[C@H]1CC[N@H+](Cc2ccc(Br)cc2N2CCOCC2)C1 ZINC000449789381 564201825 /nfs/dbraw/zinc/20/18/25/564201825.db2.gz GZBJHGYBSHRSEM-HNNXBMFYSA-N 1 0 383.330 2.880 20 0 GFADRO O=C(Nc1cc(Br)ccn1)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000563723963 564203786 /nfs/dbraw/zinc/20/37/86/564203786.db2.gz JRFACNADNQEBRM-AWEZNQCLSA-N 1 0 383.290 2.563 20 0 GFADRO C[C@@H]([NH2+]C[C@H](O)COc1ccc2c(c1)OCO2)c1cncc(Br)c1 ZINC000563731837 564204893 /nfs/dbraw/zinc/20/48/93/564204893.db2.gz MISNLLCPOJWQGV-RISCZKNCSA-N 1 0 395.253 2.663 20 0 GFADRO CCOC[C@H](O)C[N@@H+]1CCC[C@H]1c1ccccc1I ZINC000506598014 564205403 /nfs/dbraw/zinc/20/54/03/564205403.db2.gz XEPYVTQJALXFBB-DOMZBBRYSA-N 1 0 375.250 2.826 20 0 GFADRO COCC[N@@H+]1CC[C@@H](NC(=O)c2c(Cl)cc(F)cc2Br)C1 ZINC000449846746 564205674 /nfs/dbraw/zinc/20/56/74/564205674.db2.gz AJTLGUKSADXLJR-SNVBAGLBSA-N 1 0 379.657 2.692 20 0 GFADRO C[C@@H](CNC(=O)C(=O)NCc1cccc(Cl)c1Cl)[N@@H+]1CCC[C@@H](C)C1 ZINC000563800080 564208061 /nfs/dbraw/zinc/20/80/61/564208061.db2.gz HVURSZLEEPUICD-OLZOCXBDSA-N 1 0 386.323 2.846 20 0 GFADRO CC1=CC[N@H+](CCNC(=O)[C@H](C)NC(=O)c2cccc(Cl)c2Cl)CC1 ZINC000506654510 564208442 /nfs/dbraw/zinc/20/84/42/564208442.db2.gz PFASMOAUIHZNGA-ZDUSSCGKSA-N 1 0 384.307 2.880 20 0 GFADRO C[C@H]1CN(C(=O)c2cc(I)ccc2Cl)C[C@@H]1[NH+](C)C ZINC000472041280 564211220 /nfs/dbraw/zinc/21/12/20/564211220.db2.gz FCDAKXYGNVSKGF-ZANVPECISA-N 1 0 392.668 2.967 20 0 GFADRO C[NH+](C)CCOc1cnccc1CNC(=O)Nc1cc(Br)ccn1 ZINC000563914094 564212725 /nfs/dbraw/zinc/21/27/25/564212725.db2.gz LCVMFILHKNNQBW-UHFFFAOYSA-N 1 0 394.273 2.501 20 0 GFADRO COC1(C(=O)N2CCC(c3ccc(Br)cc3)CC2)CC[NH2+]CC1 ZINC000563958993 564214443 /nfs/dbraw/zinc/21/44/43/564214443.db2.gz BUKONWPWWZLIHS-UHFFFAOYSA-N 1 0 381.314 2.924 20 0 GFADRO CCC[N@H+](CC)C[C@H](C)NC(=O)C(=O)Nc1ccc(C)cc1Br ZINC000564011873 564216885 /nfs/dbraw/zinc/21/68/85/564216885.db2.gz OAWMPCUFWIUQMB-ZDUSSCGKSA-N 1 0 384.318 2.933 20 0 GFADRO COc1ncc(C(=O)N2CCc3ccccc3[C@H]2C[NH3+])cc1Br ZINC000564088251 564219576 /nfs/dbraw/zinc/21/95/76/564219576.db2.gz ZGLYELLHGTTYQT-OAHLLOKOSA-N 1 0 376.254 2.551 20 0 GFADRO C[C@H](O)C[N@@H+]1CCN(c2ncc(Br)cc2C(F)(F)F)C[C@H]1C ZINC000450316313 564226579 /nfs/dbraw/zinc/22/65/79/564226579.db2.gz YVWFCKCVQOSTKY-ZJUUUORDSA-N 1 0 382.224 2.754 20 0 GFADRO Cn1ccnc1[C@H](NC(=O)C(=O)Nc1ccc(F)c(Br)c1)C1CC1 ZINC000507444751 564228801 /nfs/dbraw/zinc/22/88/01/564228801.db2.gz UROYYMHTRGVQLK-CYBMUJFWSA-N 1 0 395.232 2.528 20 0 GFADRO Cc1cc(Br)ccc1S(=O)(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000472674323 564229783 /nfs/dbraw/zinc/22/97/83/564229783.db2.gz AGNNALOPTCMUGL-LBPRGKRZSA-N 1 0 375.332 2.768 20 0 GFADRO CN(CC[N@H+](C)C1CC1)S(=O)(=O)c1cc(Br)sc1Cl ZINC000472694331 564230552 /nfs/dbraw/zinc/23/05/52/564230552.db2.gz SBASIHOCMPLQEW-UHFFFAOYSA-N 1 0 387.752 2.879 20 0 GFADRO Ic1ccc(NCC2CCN(c3cc[nH+]cc3)CC2)nc1 ZINC000450417395 564231757 /nfs/dbraw/zinc/23/17/57/564231757.db2.gz BWXFPRWSXRSJFJ-UHFFFAOYSA-N 1 0 394.260 3.410 20 0 GFADRO C[NH+]1CCC(C)(CNC(=O)c2ccc(I)c(F)c2)CC1 ZINC000507566570 564232747 /nfs/dbraw/zinc/23/27/47/564232747.db2.gz KOADQKSAISSILK-UHFFFAOYSA-N 1 0 390.240 2.892 20 0 GFADRO Cc1cc(Br)ccc1CN1C(=O)N[C@@]2(CCCC[C@@H]2C[NH3+])C1=O ZINC000564567542 564239332 /nfs/dbraw/zinc/23/93/32/564239332.db2.gz KYTBDIGNFFKQAG-CXAGYDPISA-N 1 0 380.286 2.697 20 0 GFADRO COCCC[C@@H]([NH2+]C[C@H](C)S(C)(=O)=O)c1ccc(Br)cc1 ZINC000540140948 564240133 /nfs/dbraw/zinc/24/01/33/564240133.db2.gz BLLISNWFKSKXMB-SWLSCSKDSA-N 1 0 378.332 2.940 20 0 GFADRO CS[C@H]1CN(C(=O)CCOc2ccccc2Br)C[C@@H]1[NH+](C)C ZINC000540126116 564240137 /nfs/dbraw/zinc/24/01/37/564240137.db2.gz KELPZSCVBUDEPK-ZFWWWQNUSA-N 1 0 387.343 2.722 20 0 GFADRO CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccc(C)s2)c1 ZINC000540175636 564240535 /nfs/dbraw/zinc/24/05/35/564240535.db2.gz TXDZRGGCAQLCME-STQMWFEESA-N 1 0 381.523 2.642 20 0 GFADRO CS(=O)(=O)N1CCC[C@H]([NH2+][C@H]2CCc3c2c(Br)ccc3F)C1 ZINC000540173131 564240842 /nfs/dbraw/zinc/24/08/42/564240842.db2.gz DHSXHVVWPYHMTI-HZMBPMFUSA-N 1 0 391.306 2.589 20 0 GFADRO COc1ccc(CC[NH2+][C@H]2CCSc3ccccc32)cc1S(N)(=O)=O ZINC000540146873 564241088 /nfs/dbraw/zinc/24/10/88/564241088.db2.gz MRBFJFSNLCDGRC-HNNXBMFYSA-N 1 0 378.519 2.712 20 0 GFADRO OCC[N@@H+]1CCCC[C@@H]1CNc1ccc(Br)c(C(F)(F)F)n1 ZINC000450622925 564241459 /nfs/dbraw/zinc/24/14/59/564241459.db2.gz ZXUKQUJMFVKDLX-SNVBAGLBSA-N 1 0 382.224 3.122 20 0 GFADRO CSC1(CNC(=O)N[C@H](C)c2ccc([S@](C)=O)cc2)CC[NH+](C)CC1 ZINC000564618981 564241808 /nfs/dbraw/zinc/24/18/08/564241808.db2.gz CAACCXWOJBVUCW-PWECECGKSA-N 1 0 383.583 2.612 20 0 GFADRO Cc1cc(C)c(C(=O)N[C@@H](C)CC[NH+]2CCN(C)CC2)cc1Br ZINC000450716196 564244599 /nfs/dbraw/zinc/24/45/99/564244599.db2.gz XWQYHPWAEQEJDN-HNNXBMFYSA-N 1 0 382.346 2.822 20 0 GFADRO O=C([C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)N1CC[NH+]2CCC1CC2 ZINC000507859264 564245213 /nfs/dbraw/zinc/24/52/13/564245213.db2.gz LJMNQMKJPMYUDY-AWEZNQCLSA-N 1 0 382.291 2.653 20 0 GFADRO COC(=O)[C@@](C)(O)C[NH+]1CCC(OCc2ccc(Cl)c(Cl)c2)CC1 ZINC000564754012 564247091 /nfs/dbraw/zinc/24/70/91/564247091.db2.gz JECUKAVKYFUKKI-KRWDZBQOSA-N 1 0 376.280 2.898 20 0 GFADRO Cc1ccc(-n2ncc(N3C[C@H]4CC[N@@H+](C)[C@H]4C3)c(Cl)c2=O)cc1Cl ZINC000450784709 564247708 /nfs/dbraw/zinc/24/77/08/564247708.db2.gz CLZQQPRBROZEMJ-WBMJQRKESA-N 1 0 379.291 2.988 20 0 GFADRO CC(C)[NH2+]CCCNC(=O)C(=O)N(Cc1cccs1)Cc1cccs1 ZINC000564787693 564249252 /nfs/dbraw/zinc/24/92/52/564249252.db2.gz QJWPARTUNRDOQR-UHFFFAOYSA-N 1 0 379.551 2.843 20 0 GFADRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)C1(c2cccc(Br)c2)CC(=O)C1 ZINC000540513862 564250693 /nfs/dbraw/zinc/25/06/93/564250693.db2.gz KJBYMGPYVOEYJC-IRXDYDNUSA-N 1 0 391.309 2.793 20 0 GFADRO C[C@@H]1CN(C[C@H](O)C[NH2+]CC2(c3ccccc3Br)CC2)C[C@H](C)O1 ZINC000564855339 564252511 /nfs/dbraw/zinc/25/25/11/564252511.db2.gz QOEORSOUVJHQRL-OWCLPIDISA-N 1 0 397.357 2.540 20 0 GFADRO C[C@@H](c1ccccc1)[C@H](O)C[NH2+]CCNC(=O)c1cccc(Br)c1 ZINC000564849228 564252615 /nfs/dbraw/zinc/25/26/15/564252615.db2.gz RTBTXOPOPHPTEW-KBXCAEBGSA-N 1 0 391.309 2.933 20 0 GFADRO O=C(NCC[NH2+]C[C@H](O)CCc1ccccc1)c1cccc(Br)c1 ZINC000564848420 564253021 /nfs/dbraw/zinc/25/30/21/564253021.db2.gz WZFHBQOFOXAJKD-GOSISDBHSA-N 1 0 391.309 2.762 20 0 GFADRO O[C@H](C[NH2+]Cc1cnc2n1CCCC2)COc1cccc(Br)c1 ZINC000564869451 564253981 /nfs/dbraw/zinc/25/39/81/564253981.db2.gz XJTZMWWTEWSTHU-OAHLLOKOSA-N 1 0 380.286 2.511 20 0 GFADRO O=S1(=O)CCO[C@H](C[NH2+][C@H]2CCC[C@@H]2c2ccc(C(F)(F)F)cc2)C1 ZINC000540705988 564255200 /nfs/dbraw/zinc/25/52/00/564255200.db2.gz ABUZJZODUFWGTB-OAGGEKHMSA-N 1 0 377.428 2.745 20 0 GFADRO C[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000564900139 564255608 /nfs/dbraw/zinc/25/56/08/564255608.db2.gz UZQKJYRMQFLNCW-RISCZKNCSA-N 1 0 382.295 2.698 20 0 GFADRO Cn1ccnc1Sc1ncc(C(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)cc1Cl ZINC000564955737 564258905 /nfs/dbraw/zinc/25/89/05/564258905.db2.gz XUSHFAQFFIMRNB-YPMHNXCESA-N 1 0 379.917 2.867 20 0 GFADRO O=C1CC[C@H](C[N@@H+](CCn2ccnc2)Cc2ccc(Br)o2)CCN1 ZINC000450976708 564259269 /nfs/dbraw/zinc/25/92/69/564259269.db2.gz DCZHRZHCOYUXAJ-AWEZNQCLSA-N 1 0 395.301 2.657 20 0 GFADRO Cc1cc(Br)cc(S(=O)(=O)N[C@H](C)C[NH+]2CCCCC2)c1 ZINC000473952013 564259667 /nfs/dbraw/zinc/25/96/67/564259667.db2.gz VCLFTXFBGZLXKQ-CYBMUJFWSA-N 1 0 375.332 2.910 20 0 GFADRO CCN(CCC[NH+](CC)CC)S(=O)(=O)c1cc(Cl)cc(C(=O)OC)c1 ZINC000473952261 564259685 /nfs/dbraw/zinc/25/96/85/564259685.db2.gz QJQWMZDMJGDSAL-UHFFFAOYSA-N 1 0 390.933 2.869 20 0 GFADRO C[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccc(Br)cc2)CC[N@@H+]1CC(C)(C)O ZINC000450987422 564260441 /nfs/dbraw/zinc/26/04/41/564260441.db2.gz LMSXYTZYPSEOIA-RRQGHBQHSA-N 1 0 395.341 2.856 20 0 GFADRO CN(C)C1(C[NH2+]Cc2ccc(Br)cc2N2CCOCC2)CCC1 ZINC000474015350 564261557 /nfs/dbraw/zinc/26/15/57/564261557.db2.gz KVLYOTBHHYZZIN-UHFFFAOYSA-N 1 0 382.346 2.860 20 0 GFADRO COC(=O)C[C@@H](NC(=O)C[NH+]1CCC(C)CC1)c1cccc(Br)c1 ZINC000474039884 564262464 /nfs/dbraw/zinc/26/24/64/564262464.db2.gz GSHDWHQDRDFKGJ-MRXNPFEDSA-N 1 0 397.313 2.901 20 0 GFADRO C[C@@H]1CN(c2ncnc3ccc(I)cc32)[C@@H](C)C[N@@H+]1C ZINC000508385800 564262669 /nfs/dbraw/zinc/26/26/69/564262669.db2.gz IMZZLIIKEZRTCG-MNOVXSKESA-N 1 0 382.249 2.763 20 0 GFADRO CCC[NH+]1CCC(NS(=O)(=O)c2cccc(Br)c2C)CC1 ZINC000474068502 564263240 /nfs/dbraw/zinc/26/32/40/564263240.db2.gz RIEZCSPDXNCBBM-UHFFFAOYSA-N 1 0 375.332 2.910 20 0 GFADRO Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000508427032 564263508 /nfs/dbraw/zinc/26/35/08/564263508.db2.gz NCPGQBLQOALRDI-ZDUSSCGKSA-N 1 0 393.333 2.885 20 0 GFADRO C[NH+](C)C1(CNC(=O)c2cnn(-c3ccc(Br)cc3)c2)CCC1 ZINC000474092749 564263880 /nfs/dbraw/zinc/26/38/80/564263880.db2.gz AGNOROWAWBMTEH-UHFFFAOYSA-N 1 0 377.286 2.849 20 0 GFADRO C[NH+]1CCC(C)(CNC(=O)NCCOc2ccc(Br)cc2)CC1 ZINC000508549013 564266199 /nfs/dbraw/zinc/26/61/99/564266199.db2.gz QDTXPLBDVUJEAG-UHFFFAOYSA-N 1 0 384.318 2.859 20 0 GFADRO C[N@@H+]1CCCC[C@H]1CCC(=O)NC[C@H](CO)Cc1ccc(Br)cc1 ZINC000508556376 564266207 /nfs/dbraw/zinc/26/62/07/564266207.db2.gz LLBCHPZPEFRKAJ-AEFFLSMTSA-N 1 0 397.357 2.981 20 0 GFADRO C[C@@H]1CCc2ccc(Br)cc2[C@@H]([NH2+]C[C@H](O)Cn2ccnn2)C1 ZINC000565141197 564267860 /nfs/dbraw/zinc/26/78/60/564267860.db2.gz DINIVIZIEAEXCN-PVUWLOKVSA-N 1 0 379.302 2.705 20 0 GFADRO CCC[N@H+](CC)CCNS(=O)(=O)c1cc(Br)c(C)cc1OC ZINC000474179830 564268908 /nfs/dbraw/zinc/26/89/08/564268908.db2.gz VRBKRLXBTQCGBU-UHFFFAOYSA-N 1 0 393.347 2.776 20 0 GFADRO COC(=O)c1csc(S(=O)(=O)NC2CC[NH+](C3CCCCC3)CC2)c1 ZINC000474200179 564269381 /nfs/dbraw/zinc/26/93/81/564269381.db2.gz WEIYDXANNGKYIC-UHFFFAOYSA-N 1 0 386.539 2.610 20 0 GFADRO COc1ccc(Br)cc1C[NH2+][C@@H](Cc1ccc(F)cc1)C(N)=O ZINC000541282092 564272737 /nfs/dbraw/zinc/27/27/37/564272737.db2.gz IXJHSYSNXPJCLI-HNNXBMFYSA-N 1 0 381.245 2.783 20 0 GFADRO COCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](CCOc2ccccc2Br)C1 ZINC000508918148 564276557 /nfs/dbraw/zinc/27/65/57/564276557.db2.gz ZQTWNLNZJCSEMZ-HUUCEWRRSA-N 1 0 399.329 2.691 20 0 GFADRO C[NH+]1CCN(Cc2ccc(NC(=O)c3ccsn3)cc2Br)CC1 ZINC000451122688 564277568 /nfs/dbraw/zinc/27/75/68/564277568.db2.gz SFFQBZPDCNSDCT-UHFFFAOYSA-N 1 0 395.326 2.905 20 0 GFADRO Cc1cc(Br)cn2c(C[NH2+][C@@H]3CC(=O)N([C@@H]4C[C@H]4C)C3)cnc12 ZINC000541392681 564277700 /nfs/dbraw/zinc/27/77/00/564277700.db2.gz IRZBPELISGDQFE-WDBKCZKBSA-N 1 0 377.286 2.504 20 0 GFADRO Cc1nc2sccn2c(=O)c1CC[N@H+](C[C@@H]1CCCO1)[C@@H]1CCSC1 ZINC000509006126 564278723 /nfs/dbraw/zinc/27/87/23/564278723.db2.gz HNLRGNVHYSLCDS-CABCVRRESA-N 1 0 379.551 2.593 20 0 GFADRO Cc1cc([C@@H]2CCCN2C(=O)C(=O)N[C@H](C)C[C@H](C)[NH3+])ccc1Br ZINC000565422489 564279455 /nfs/dbraw/zinc/27/94/55/564279455.db2.gz QSQNMDXPWQPFAC-ZENOOKHLSA-N 1 0 396.329 2.663 20 0 GFADRO COc1cc(CN2CC[C@H]([NH3+])C[C@H]2C)cc(I)c1OC ZINC000565488792 564282254 /nfs/dbraw/zinc/28/22/54/564282254.db2.gz STAXRQZOPPZXOW-PWSUYJOCSA-N 1 0 390.265 2.620 20 0 GFADRO COC1CC[NH+](C(C)(C)CNS(=O)(=O)C[C@H]2CCCCC2(F)F)CC1 ZINC000451175140 564283560 /nfs/dbraw/zinc/28/35/60/564283560.db2.gz HZMJCMSOJNDZHX-CQSZACIVSA-N 1 0 382.517 2.621 20 0 GFADRO COC[C@@]1(C)CC[N@H+](CC(=O)N(C)CCOc2ccc(Br)cc2)C1 ZINC000451186114 564284065 /nfs/dbraw/zinc/28/40/65/564284065.db2.gz DHRKHHIDQCWMPD-SFHVURJKSA-N 1 0 399.329 2.645 20 0 GFADRO CCC[C@H]([NH2+]C(C)C)C(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000509186622 564285078 /nfs/dbraw/zinc/28/50/78/564285078.db2.gz SBAMDOUDJDKAEA-JKSUJKDBSA-N 1 0 396.329 2.837 20 0 GFADRO CN1CC[NH+](CC2(C)CCN(Cc3cncc(Br)c3)CC2)CC1 ZINC000541663957 564286267 /nfs/dbraw/zinc/28/62/67/564286267.db2.gz JZHJNYWQPZFTCB-UHFFFAOYSA-N 1 0 381.362 2.694 20 0 GFADRO CC(C)(C)C[C@@H](CO)[NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000565658344 564290443 /nfs/dbraw/zinc/29/04/43/564290443.db2.gz NETMGOFDRNPIIK-UONOGXRCSA-N 1 0 378.282 2.715 20 0 GFADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)N[C@@H](C)c2ccc(Cl)s2)CC1 ZINC000509266818 564291074 /nfs/dbraw/zinc/29/10/74/564291074.db2.gz ZKQDIKXDINJNQW-ZDUSSCGKSA-N 1 0 386.949 2.658 20 0 GFADRO C[C@@H]1C[C@@H](N(C)S(=O)(=O)Cc2ccc(Br)c(F)c2)CC[N@@H+]1C ZINC000451242736 564291280 /nfs/dbraw/zinc/29/12/80/564291280.db2.gz OEYJSLAUOKYTKZ-YPMHNXCESA-N 1 0 393.322 2.833 20 0 GFADRO O=C1CC[C@@H]([NH+]2CCN(c3nc4cc(Cl)cc(Cl)c4o3)CC2)CCN1 ZINC000565698198 564292092 /nfs/dbraw/zinc/29/20/92/564292092.db2.gz UEIXNRQTMMXXNU-GFCCVEGCSA-N 1 0 383.279 2.925 20 0 GFADRO C[C@@H]([NH2+]CCc1ccc(S(=O)(=O)N2CCCCC2)s1)[C@H]1CCCOC1 ZINC000541882610 564293523 /nfs/dbraw/zinc/29/35/23/564293523.db2.gz XCJAMMSOFNSLRF-CVEARBPZSA-N 1 0 386.583 2.870 20 0 GFADRO CC[NH+](CC)CCOC1CCN(S(=O)(=O)C[C@@H]2CCCC2(F)F)CC1 ZINC000451269678 564294025 /nfs/dbraw/zinc/29/40/25/564294025.db2.gz HSRDUJYQPYDCML-HNNXBMFYSA-N 1 0 382.517 2.574 20 0 GFADRO CCCc1ccc(Cl)c(S(=O)(=O)N2C[C@@H](C[NH3+])C3(C2)CCOCC3)c1 ZINC000565774764 564294857 /nfs/dbraw/zinc/29/48/57/564294857.db2.gz OXFXNBLQXMOZQK-OAHLLOKOSA-N 1 0 386.945 2.669 20 0 GFADRO Cc1cccc(Cl)c1C[N@@H+](C)CCN(C)c1ccc(S(N)(=O)=O)cc1 ZINC000451280887 564295695 /nfs/dbraw/zinc/29/56/95/564295695.db2.gz WPOSXDQIYYVGBO-UHFFFAOYSA-N 1 0 381.929 2.864 20 0 GFADRO C[C@H]1C[C@H](C[NH2+]CCS(=O)(=O)c2cccc(Br)c2)CCO1 ZINC000565828649 564297460 /nfs/dbraw/zinc/29/74/60/564297460.db2.gz XUBIDDJSCTZZAS-QWHCGFSZSA-N 1 0 376.316 2.628 20 0 GFADRO C[C@H](CCC[NH3+])NC(=O)CCC[S@](=O)c1ccc(Br)cc1 ZINC000565833060 564297906 /nfs/dbraw/zinc/29/79/06/564297906.db2.gz JXYOOHKWROZJDO-GTJPDFRWSA-N 1 0 375.332 2.581 20 0 GFADRO O=C1COc2ccccc2N1CCC[NH2+]Cc1ncc(Br)s1 ZINC000542016890 564299484 /nfs/dbraw/zinc/29/94/84/564299484.db2.gz LRYLQWGXDYGIRV-UHFFFAOYSA-N 1 0 382.283 2.811 20 0 GFADRO C[C@@H]1C[N@H+](C)[C@H](C)CN1C[C@H](O)COc1ccc(Cl)cc1Br ZINC000509446853 564299640 /nfs/dbraw/zinc/29/96/40/564299640.db2.gz AVFVRYHFAFQYIZ-BZPMIXESSA-N 1 0 391.737 2.867 20 0 GFADRO O=C(CC[NH2+][C@@H](CCO)C1CCOCC1)Nc1ccc(Br)cc1 ZINC000565878659 564299748 /nfs/dbraw/zinc/29/97/48/564299748.db2.gz XFEJGSKHOXNWON-INIZCTEOSA-N 1 0 385.302 2.545 20 0 GFADRO CC(C)(CCCO)C[NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000565887425 564300371 /nfs/dbraw/zinc/30/03/71/564300371.db2.gz PVFDEQIHLVDTCR-CQSZACIVSA-N 1 0 378.282 2.716 20 0 GFADRO CC(C)CC[C@H](O)C[NH2+]CCNS(=O)(=O)c1cccc(Cl)c1Cl ZINC000565887827 564300700 /nfs/dbraw/zinc/30/07/00/564300700.db2.gz COWYOEJDUJUEOG-LBPRGKRZSA-N 1 0 383.341 2.658 20 0 GFADRO Cc1ncsc1CCS(=O)(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H]1C ZINC000565991787 564304799 /nfs/dbraw/zinc/30/47/99/564304799.db2.gz CVDLFEAUZGBSIH-DOTOQJQBSA-N 1 0 379.551 2.576 20 0 GFADRO CC[C@H](C)[NH2+][C@H](CNC(=O)NCCn1cc(Br)cn1)c1ccco1 ZINC000509596820 564305306 /nfs/dbraw/zinc/30/53/06/564305306.db2.gz UYXHHXMOFIQBAB-GXTWGEPZSA-N 1 0 398.305 2.667 20 0 GFADRO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)NCCOc1ncc(Cl)cc1Cl ZINC000475374595 564306648 /nfs/dbraw/zinc/30/66/48/564306648.db2.gz ZYWBEJMGWSOQKW-CQSZACIVSA-N 1 0 375.300 2.749 20 0 GFADRO C[C@@H]1CN(C(=O)Cc2csc(NC(=O)c3cccs3)n2)[C@@H](C)C[N@@H+]1C ZINC000509637699 564307276 /nfs/dbraw/zinc/30/72/76/564307276.db2.gz WFERXIFTXQLUEP-NEPJUHHUSA-N 1 0 378.523 2.550 20 0 GFADRO O=C(c1ccc(F)cc1Br)N1CC[C@H](OCC[NH+]2CCCC2)C1 ZINC000475452186 564308572 /nfs/dbraw/zinc/30/85/72/564308572.db2.gz ISARYYGUXBEKKD-AWEZNQCLSA-N 1 0 385.277 2.915 20 0 GFADRO O=C(c1ccc(Br)cc1F)N1CC[C@H](OCC[NH+]2CCCC2)C1 ZINC000475446880 564308762 /nfs/dbraw/zinc/30/87/62/564308762.db2.gz NODABCRGLIWOLB-AWEZNQCLSA-N 1 0 385.277 2.915 20 0 GFADRO CC(C)c1n[nH]c(C(=O)N2CC[C@@H](OCC[NH+]3CCCC3)C2)c1Br ZINC000475450689 564308790 /nfs/dbraw/zinc/30/87/90/564308790.db2.gz XJMQJNLJGUFVAN-CYBMUJFWSA-N 1 0 399.333 2.623 20 0 GFADRO [NH3+][C@H]1CCc2ncc(NC(=O)[C@@H]3COc4ccc(Br)cc43)cc2C1 ZINC000566100790 564309425 /nfs/dbraw/zinc/30/94/25/564309425.db2.gz SBNNRSYRQLDDOP-SWLSCSKDSA-N 1 0 388.265 2.775 20 0 GFADRO Cc1ccc(NC(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)[C@H]2C)cc1Br ZINC000509738289 564310786 /nfs/dbraw/zinc/31/07/86/564310786.db2.gz AEQVWFZINWOROM-CJNGLKHVSA-N 1 0 394.313 2.781 20 0 GFADRO Cc1ncc(C[NH2+]C[C@H](O)COc2ccc(Cl)cc2Br)o1 ZINC000566121393 564310728 /nfs/dbraw/zinc/31/07/28/564310728.db2.gz FKWVMFCTGJDQNX-NSHDSACASA-N 1 0 375.650 2.928 20 0 GFADRO CC[C@H](C)N(C)CC[NH2+]C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000566110639 564310830 /nfs/dbraw/zinc/31/08/30/564310830.db2.gz NTWOIFSXAVEXOT-WFASDCNBSA-N 1 0 377.298 2.648 20 0 GFADRO CC[C@@H](O)C[NH+]1CCN(c2cc(C(F)(F)F)c(Br)cn2)CC1 ZINC000566149529 564312907 /nfs/dbraw/zinc/31/29/07/564312907.db2.gz OUXNDIAORGHAQO-SNVBAGLBSA-N 1 0 382.224 2.756 20 0 GFADRO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@H](C)c1cc2c(cc1Br)OCCO2 ZINC000566171289 564313508 /nfs/dbraw/zinc/31/35/08/564313508.db2.gz FGQBYPFVBDFOMA-SUNKGSAMSA-N 1 0 383.286 2.786 20 0 GFADRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)C(=O)Nc1c(F)cccc1Br ZINC000509791948 564313580 /nfs/dbraw/zinc/31/35/80/564313580.db2.gz PEXLKPFRGAJJLU-BXUZGUMPSA-N 1 0 398.276 2.612 20 0 GFADRO C[C@@H]1[C@H](O)CCC[N@@H+]1C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000451451958 564315180 /nfs/dbraw/zinc/31/51/80/564315180.db2.gz DNUMIAWMHTZKGE-MPKXVKKWSA-N 1 0 378.694 2.687 20 0 GFADRO CN(CC[NH+](C)C)C(=O)NCc1ccc(I)cc1Cl ZINC000475687905 564316350 /nfs/dbraw/zinc/31/63/50/564316350.db2.gz WVQSBBBJADINEA-UHFFFAOYSA-N 1 0 395.672 2.648 20 0 GFADRO CC(C)C[NH+]1CCN(C(=O)c2cnc3ccc(Br)cc3c2O)CC1 ZINC000542487955 564316544 /nfs/dbraw/zinc/31/65/44/564316544.db2.gz SVLWEIRQFMDGRC-UHFFFAOYSA-N 1 0 392.297 2.704 20 0 GFADRO Cc1cc(S(=O)(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c(F)cc1Br ZINC000566223659 564316936 /nfs/dbraw/zinc/31/69/36/564316936.db2.gz IBKGYGPZOKEZHU-MISXGVKJSA-N 1 0 391.306 2.645 20 0 GFADRO CN1CCO[C@@H](CSCC(=O)Nc2ccc(Br)cc2F)C1 ZINC000566214787 564317013 /nfs/dbraw/zinc/31/70/13/564317013.db2.gz USXXFQYAMFNHAS-LLVKDONJSA-N 1 0 377.279 2.591 20 0 GFADRO COC(=O)c1cc(Cl)c(C)c(S(=O)(=O)N2CCC[C@H]([NH+](C)C)CC2)c1 ZINC000451469627 564317278 /nfs/dbraw/zinc/31/72/78/564317278.db2.gz UODIMZFZCIKZNA-AWEZNQCLSA-N 1 0 388.917 2.540 20 0 GFADRO C[C@H]1CC[N@H+](C)CCN1Cc1ccc(Br)cc1N1CCOCC1 ZINC000475719468 564317694 /nfs/dbraw/zinc/31/76/94/564317694.db2.gz TUFIBJQUYBPODY-HNNXBMFYSA-N 1 0 382.346 2.812 20 0 GFADRO C[C@@H]1C[NH2+]CC[C@H]1NS(=O)(=O)Cc1cc(Cl)ccc1Br ZINC000566228709 564318036 /nfs/dbraw/zinc/31/80/36/564318036.db2.gz KLDWVFQCGKWTPD-NOZJJQNGSA-N 1 0 381.723 2.520 20 0 GFADRO C[C@H]1CCCC[C@@]1(C[NH3+])NS(=O)(=O)Cc1cccc(Br)c1 ZINC000566225615 564318398 /nfs/dbraw/zinc/31/83/98/564318398.db2.gz YNWBGOZHIRLAHW-WFASDCNBSA-N 1 0 375.332 2.776 20 0 GFADRO [NH3+]CC[C@H]1CCCCN1C(=O)c1cc(=O)c2cc(Br)ccc2[nH]1 ZINC000566250759 564318772 /nfs/dbraw/zinc/31/87/72/564318772.db2.gz LPEWWAXQXRQTGH-GFCCVEGCSA-N 1 0 378.270 2.634 20 0 GFADRO CC[C@@H]1C[N@H+](C)CCCN1S(=O)(=O)c1cc(C(=O)OC)cc(Cl)c1C ZINC000451495739 564318785 /nfs/dbraw/zinc/31/87/85/564318785.db2.gz LFJNSVMACNAPIE-CQSZACIVSA-N 1 0 388.917 2.540 20 0 GFADRO CN(Cc1cn2c(n1)CCCC2)C(=O)[C@](C)([NH3+])c1ccc(Br)cc1 ZINC000566249702 564319318 /nfs/dbraw/zinc/31/93/18/564319318.db2.gz DRJDVDGSEBNZMC-GOSISDBHSA-N 1 0 391.313 2.814 20 0 GFADRO CCS(=O)(=O)N1CCC(C[NH2+]Cc2csc(Br)c2)CC1 ZINC000542712107 564323196 /nfs/dbraw/zinc/32/31/96/564323196.db2.gz FKRHOXLHRCDHCT-UHFFFAOYSA-N 1 0 381.361 2.662 20 0 GFADRO C[C@H](C[NH2+][C@@H](Cc1ccccc1)C(N)=O)Oc1ccccc1Br ZINC000542730439 564323227 /nfs/dbraw/zinc/32/32/27/564323227.db2.gz XMZAPLIMFOWXNN-CJNGLKHVSA-N 1 0 377.282 2.903 20 0 GFADRO CS[C@H]1CN(C(=O)CSc2nc3ccccc3o2)C[C@H]1[NH+]1CCCC1 ZINC000542772721 564326078 /nfs/dbraw/zinc/32/60/78/564326078.db2.gz BQZQKHLGZZVQMA-ZBFHGGJFSA-N 1 0 377.535 2.958 20 0 GFADRO Cc1c(Br)c2ccccc2n1CC(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000566405832 564326758 /nfs/dbraw/zinc/32/67/58/564326758.db2.gz CUDNLRFELAJTPJ-ZDUSSCGKSA-N 1 0 386.240 2.826 20 0 GFADRO CO[C@H]1C[C@@H]([N@H+](C)C[C@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000510154472 564327308 /nfs/dbraw/zinc/32/73/08/564327308.db2.gz KXYZBDWQLMJLOK-RWMBFGLXSA-N 1 0 378.694 2.951 20 0 GFADRO C[C@H](CNC(=O)N[C@@H](CCO)c1ccccc1Br)[N@H+](C)C1CC1 ZINC000542897669 564330590 /nfs/dbraw/zinc/33/05/90/564330590.db2.gz JQZLWNNPQRUITB-WBMJQRKESA-N 1 0 384.318 2.655 20 0 GFADRO O=C(N[C@H](CCO)c1ccccc1Br)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000542892921 564330741 /nfs/dbraw/zinc/33/07/41/564330741.db2.gz GPHNPPXOVBROAK-IXDOHACOSA-N 1 0 396.329 2.799 20 0 GFADRO COCC[N@H+](C)CCCNC(=O)c1cc(Cl)c(Br)cc1OC ZINC000566563960 564332743 /nfs/dbraw/zinc/33/27/43/564332743.db2.gz RFLIEKGCUGCWIQ-UHFFFAOYSA-N 1 0 393.709 2.809 20 0 GFADRO CC[NH+]1C[C@H](C)N(C(=O)c2cc(I)ccc2F)[C@@H](C)C1 ZINC000566585061 564333340 /nfs/dbraw/zinc/33/33/40/564333340.db2.gz MMFPLUOKMRCTRS-QWRGUYRKSA-N 1 0 390.240 2.985 20 0 GFADRO CCCN(CC[NH+]1CCCCC1)S(=O)(=O)c1ccc(C(F)(F)F)cn1 ZINC000510524810 564336680 /nfs/dbraw/zinc/33/66/80/564336680.db2.gz QVXCZKWIRQSCKZ-UHFFFAOYSA-N 1 0 379.448 2.987 20 0 GFADRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1S(=O)(=O)c1cccc(OC(F)(F)F)c1 ZINC000510537257 564337772 /nfs/dbraw/zinc/33/77/72/564337772.db2.gz HNAJTCLMWFPHOH-QWHCGFSZSA-N 1 0 378.416 2.833 20 0 GFADRO Cn1cc(N2CC[C@H]([NH2+][C@@H]3CCCc4c(Br)cccc43)C2=O)cn1 ZINC000543114232 564337995 /nfs/dbraw/zinc/33/79/95/564337995.db2.gz MCLSGUWCZCNRIZ-SJORKVTESA-N 1 0 389.297 2.955 20 0 GFADRO CN(C)C1(C[NH2+]CCS(=O)(=O)c2cccc(Br)c2)CCCC1 ZINC000566673756 564338229 /nfs/dbraw/zinc/33/82/29/564338229.db2.gz ZKKVQUBLUBAYGJ-UHFFFAOYSA-N 1 0 389.359 2.687 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CNC(=O)C[C@H]1CCCC[C@H]1[NH3+] ZINC000566676025 564338434 /nfs/dbraw/zinc/33/84/34/564338434.db2.gz OLZCCFGPDBETTL-TZMCWYRMSA-N 1 0 382.302 2.720 20 0 GFADRO CC[NH+](CC)CCS(=O)(=O)N1CCc2cc(Br)cc(F)c21 ZINC000566766670 564341879 /nfs/dbraw/zinc/34/18/79/564341879.db2.gz ZPJFEMJWEZVZOG-UHFFFAOYSA-N 1 0 379.295 2.622 20 0 GFADRO CCSc1cccc(Br)c1NC(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000566767925 564342036 /nfs/dbraw/zinc/34/20/36/564342036.db2.gz UCVDAIYYBZEOJS-HNNXBMFYSA-N 1 0 388.331 2.749 20 0 GFADRO [NH3+]C[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(-c3ccc(Cl)s3)nc2)C1 ZINC000566785000 564342825 /nfs/dbraw/zinc/34/28/25/564342825.db2.gz QNPQNZFILFRLDZ-NSHDSACASA-N 1 0 378.885 2.599 20 0 GFADRO CC[C@H]1C[N@H+](C)CCCN1S(=O)(=O)Cc1ccccc1Br ZINC000566823017 564344743 /nfs/dbraw/zinc/34/47/43/564344743.db2.gz CEVONJQYYFUGLR-AWEZNQCLSA-N 1 0 375.332 2.695 20 0 GFADRO CN(CC[NH+]1CCCC1)S(=O)(=O)c1ccc(Cl)cc1Br ZINC000543249568 564344973 /nfs/dbraw/zinc/34/49/73/564344973.db2.gz KAISOOLROKALEU-UHFFFAOYSA-N 1 0 381.723 2.819 20 0 GFADRO CN([C@H](CO)c1ccc(Cl)cc1)S(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000451741438 564346528 /nfs/dbraw/zinc/34/65/28/564346528.db2.gz CRAKAJWSHLBQEH-GOSISDBHSA-N 1 0 382.913 2.756 20 0 GFADRO Fc1cc2ncnc(N3CC[C@H](C[NH+]4CCOCC4)C3)c2cc1Br ZINC000543410063 564349499 /nfs/dbraw/zinc/34/94/99/564349499.db2.gz JQTVEHDGESTNGE-GFCCVEGCSA-N 1 0 395.276 2.690 20 0 GFADRO Cc1ncc(C[NH2+][C@H](C)CC(=O)Nc2ccc(Br)cc2)c(=O)[nH]1 ZINC000543414192 564349623 /nfs/dbraw/zinc/34/96/23/564349623.db2.gz PLJAQYKGVZQRGJ-SNVBAGLBSA-N 1 0 379.258 2.760 20 0 GFADRO O=C([C@@H]1CCc2cc(Br)ccc21)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000566976885 564352773 /nfs/dbraw/zinc/35/27/73/564352773.db2.gz PXICJZZEVWPMEC-KBXCAEBGSA-N 1 0 393.325 2.660 20 0 GFADRO CCO[C@@H]1C[C@@H]([NH2+]CCNS(=O)(=O)c2ccc(F)cc2Cl)C12CCC2 ZINC000511038515 564354963 /nfs/dbraw/zinc/35/49/63/564354963.db2.gz RKUZFMYKTVRLTF-HZPDHXFCSA-N 1 0 390.908 2.695 20 0 GFADRO C[N@H+](CC(=O)N1CCc2c(Br)ccc(F)c2C1)[C@H]1CCSC1 ZINC000543622168 564356090 /nfs/dbraw/zinc/35/60/90/564356090.db2.gz GFGYKDUIVVDJQX-NSHDSACASA-N 1 0 387.318 2.910 20 0 GFADRO CCS(=O)(=O)N1CCC(C[NH2+]Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000543645117 564357273 /nfs/dbraw/zinc/35/72/73/564357273.db2.gz VIHFKICDXSOPKJ-UHFFFAOYSA-N 1 0 380.432 2.737 20 0 GFADRO CC[C@@H](Cc1cccc(Br)c1)C(=O)NC[C@@]1(O)C[NH+]2CCC1CC2 ZINC000567122484 564358436 /nfs/dbraw/zinc/35/84/36/564358436.db2.gz ILTDTEVEBRXQFB-HNAYVOBHSA-N 1 0 395.341 2.591 20 0 GFADRO OC[C@@H]1CCN(Cc2ccccc2)C[C@@H]1[NH2+]Cc1ccc(Br)cn1 ZINC000567148063 564359118 /nfs/dbraw/zinc/35/91/18/564359118.db2.gz BFLBWBPUQSNMKI-LPHOPBHVSA-N 1 0 390.325 2.817 20 0 GFADRO Cc1cc(Br)cn2cc(CCNC(=O)NCC[N@@H+](C)C(C)C)nc12 ZINC000543694587 564360861 /nfs/dbraw/zinc/36/08/61/564360861.db2.gz CXFIPCIYNQYAOF-UHFFFAOYSA-N 1 0 396.333 2.587 20 0 GFADRO COCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](Cc2ccc(Br)cc2OC)C1 ZINC000543780503 564363053 /nfs/dbraw/zinc/36/30/53/564363053.db2.gz BHJXRWOTSQEKLT-HIFRSBDPSA-N 1 0 399.329 2.821 20 0 GFADRO OC[C@@H]([NH2+]C[C@H](O)COCc1cccs1)c1ccc(Br)cc1 ZINC000543837768 564365949 /nfs/dbraw/zinc/36/59/49/564365949.db2.gz FHDYHCFJRUKRQZ-GOEBONIOSA-N 1 0 386.311 2.711 20 0 GFADRO CS[C@H]1CN(S(=O)(=O)c2ccc3c(c2)CCCC3)C[C@H]1[NH+]1CCCC1 ZINC000477142688 564367010 /nfs/dbraw/zinc/36/70/10/564367010.db2.gz VKDQMUVYPCLUEG-MOPGFXCFSA-N 1 0 380.579 2.766 20 0 GFADRO O[C@]1(CNCc2ncc(Br)s2)CC[N@H+](Cc2ccccc2)C1 ZINC000543850294 564367089 /nfs/dbraw/zinc/36/70/89/564367089.db2.gz MLZDRUIPTAAADI-INIZCTEOSA-N 1 0 382.327 2.632 20 0 GFADRO C[C@H](CC[NH3+])NC(=O)Cc1ccc(NC(=O)c2ccc(Br)o2)cc1 ZINC000477189846 564368616 /nfs/dbraw/zinc/36/86/16/564368616.db2.gz PSIGQDYSSSKAIF-LLVKDONJSA-N 1 0 394.269 2.690 20 0 GFADRO Cc1nn(Cc2cccc(Br)c2)c(C)c1C(=O)NC[C@@H](C)[NH+](C)C ZINC000477201616 564368752 /nfs/dbraw/zinc/36/87/52/564368752.db2.gz AZCRAMVOPDEPCH-GFCCVEGCSA-N 1 0 393.329 2.991 20 0 GFADRO CN(C)c1nccc(C[NH2+][C@@H]2CCN(c3ccccc3Br)C2)n1 ZINC000543993156 564370355 /nfs/dbraw/zinc/37/03/55/564370355.db2.gz LBJVCXUMQIZWNG-CQSZACIVSA-N 1 0 376.302 2.674 20 0 GFADRO C[NH+](C)CCCOC1CCN(C(=O)Cc2ccc(Br)cc2O)CC1 ZINC000477372031 564375361 /nfs/dbraw/zinc/37/53/61/564375361.db2.gz JPJGGPKUWPGVKO-UHFFFAOYSA-N 1 0 399.329 2.657 20 0 GFADRO Cc1ccc(NC(=O)CC[NH2+][C@](C)(CO)c2ccc(Br)cc2)nc1 ZINC000511560760 564375463 /nfs/dbraw/zinc/37/54/63/564375463.db2.gz GLFVYSPGAGPHKC-GOSISDBHSA-N 1 0 392.297 2.978 20 0 GFADRO C[NH+](C)CCCOc1cnccc1CNC(=O)c1ccoc1Br ZINC000567515615 564375488 /nfs/dbraw/zinc/37/54/88/564375488.db2.gz QTCXAKOPWJKQJL-UHFFFAOYSA-N 1 0 382.258 2.698 20 0 GFADRO Cc1cccc(CNC(=O)C[NH2+][C@](C)(CO)c2ccc(Br)cc2)c1 ZINC000511565864 564375534 /nfs/dbraw/zinc/37/55/34/564375534.db2.gz KXUYWSOPVJVGJK-LJQANCHMSA-N 1 0 391.309 2.871 20 0 GFADRO O=C(C[C@H]1COCC[NH2+]1)NCC1(c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000567674994 564382618 /nfs/dbraw/zinc/38/26/18/564382618.db2.gz VIIRPPCWLITOLV-LBPRGKRZSA-N 1 0 376.806 2.885 20 0 GFADRO C[N@H+](CCOc1ccc(S(N)(=O)=O)cc1F)CCc1ccccc1Cl ZINC000452021129 564383015 /nfs/dbraw/zinc/38/30/15/564383015.db2.gz SKULFZGREVLFFG-UHFFFAOYSA-N 1 0 386.876 2.680 20 0 GFADRO COC[C@H]1CCCC[N@@H+]1C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000452038583 564385800 /nfs/dbraw/zinc/38/58/00/564385800.db2.gz MXOHLGLTMRJURD-CABCVRRESA-N 1 0 376.266 2.829 20 0 GFADRO Cc1ccc(C[C@H](CO)[NH2+]Cc2ncc(I)s2)cc1 ZINC000511958924 564387070 /nfs/dbraw/zinc/38/70/70/564387070.db2.gz WHNDPXKTLHOECA-GFCCVEGCSA-N 1 0 388.274 2.749 20 0 GFADRO C[C@H]([NH2+]CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl)[C@@H]1CCC[C@H](C)C1 ZINC000452059794 564387834 /nfs/dbraw/zinc/38/78/34/564387834.db2.gz KXMXXQQCPOGEJM-RWMBFGLXSA-N 1 0 387.933 2.730 20 0 GFADRO O=c1cc(C[N@@H+]2CC[C@H](c3cccnc3)C2)nc2ccc(Br)cn12 ZINC000567796957 564389198 /nfs/dbraw/zinc/38/91/98/564389198.db2.gz KQDBHJQCTHVWFY-AWEZNQCLSA-N 1 0 385.265 2.842 20 0 GFADRO C[C@@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH2+]C[C@@H](O)CN(C)C ZINC000512009007 564389324 /nfs/dbraw/zinc/38/93/24/564389324.db2.gz SBDLTRRVLJIIBI-CMPLNLGQSA-N 1 0 381.826 2.588 20 0 GFADRO O=C(N1CCCC1)[C@]1(O)CCC[N@H+](CCCc2ccccc2Br)C1 ZINC000452086865 564389733 /nfs/dbraw/zinc/38/97/33/564389733.db2.gz BEPYUGQQZXFAHI-IBGZPJMESA-N 1 0 395.341 2.831 20 0 GFADRO C[C@@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH2+]C[C@H](O)CN(C)C ZINC000512009008 564389762 /nfs/dbraw/zinc/38/97/62/564389762.db2.gz SBDLTRRVLJIIBI-JQWIXIFHSA-N 1 0 381.826 2.588 20 0 GFADRO CC(C)[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2cc(F)ccc2Br)C1 ZINC000452103928 564392711 /nfs/dbraw/zinc/39/27/11/564392711.db2.gz LDDKGANPRCLQBC-GFCCVEGCSA-N 1 0 379.295 2.691 20 0 GFADRO O=c1n2ccccc2nn1CC[NH2+][C@@H](CCO)c1ccc(Cl)c(Cl)c1 ZINC000512161263 564393954 /nfs/dbraw/zinc/39/39/54/564393954.db2.gz DYLNDCBDCAGAHU-HNNXBMFYSA-N 1 0 381.263 2.516 20 0 GFADRO C[C@H]1CSC[C@@H]1[NH2+]CC(=O)Nc1ccccc1I ZINC000512168854 564394789 /nfs/dbraw/zinc/39/47/89/564394789.db2.gz VOPULXQBESDUHB-CABZTGNLSA-N 1 0 376.263 2.571 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C(=O)N1CC[NH2+][C@@H](C)[C@H]1C ZINC000567915837 564395367 /nfs/dbraw/zinc/39/53/67/564395367.db2.gz WEORVFLGNIEFCV-WCQYABFASA-N 1 0 377.286 2.766 20 0 GFADRO C[NH+](C)C(C)(C)CNC(=O)[C@H](c1cc(Cl)cc(Cl)c1)N1CCOCC1 ZINC000512288706 564396790 /nfs/dbraw/zinc/39/67/90/564396790.db2.gz FCSAIOMGEDNTTK-INIZCTEOSA-N 1 0 388.339 2.823 20 0 GFADRO Cc1cc(Br)cn2cc(CCNC(=O)[C@@H](C(C)C)[NH+](C)C)nc12 ZINC000544772051 564398202 /nfs/dbraw/zinc/39/82/02/564398202.db2.gz BIZGRGOTOROQFP-OAHLLOKOSA-N 1 0 381.318 2.650 20 0 GFADRO CCN(C(=O)Cn1cc(Br)cn1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000544850484 564402519 /nfs/dbraw/zinc/40/25/19/564402519.db2.gz FHGNANXQGWUXLE-KRWDZBQOSA-N 1 0 391.313 2.769 20 0 GFADRO COc1c[nH+]ccc1N1CCN(C(=O)c2ccc(Br)c(F)c2)CC1 ZINC000478463396 564403478 /nfs/dbraw/zinc/40/34/78/564403478.db2.gz BTWLMKJJGWPWPF-UHFFFAOYSA-N 1 0 394.244 2.954 20 0 GFADRO CCNC(=O)C1(C[NH2+]CCC(=O)Nc2cccc(Br)c2)CCC1 ZINC000568078081 564403969 /nfs/dbraw/zinc/40/39/69/564403969.db2.gz FMEBBVIEZZBMDY-UHFFFAOYSA-N 1 0 382.302 2.674 20 0 GFADRO COc1ccc(C[N@@H+]2CC[C@@H](Cc3cnn(C)c3)C2)c(Br)c1O ZINC000544943114 564405069 /nfs/dbraw/zinc/40/50/69/564405069.db2.gz LJDBQNACSGDVDS-LBPRGKRZSA-N 1 0 380.286 2.961 20 0 GFADRO [NH3+]CCc1ccccc1C(=O)NC[C@H](O)COc1cccc(Cl)c1Cl ZINC000568147975 564406394 /nfs/dbraw/zinc/40/63/94/564406394.db2.gz DUGSLKOZGBKXAO-ZDUSSCGKSA-N 1 0 383.275 2.664 20 0 GFADRO O=C(CCCOc1cccc(Br)c1)NC[C@@H]1CCC[N@H+]1CCCO ZINC000452349593 564406436 /nfs/dbraw/zinc/40/64/36/564406436.db2.gz NCDZALULZIJDMC-INIZCTEOSA-N 1 0 399.329 2.571 20 0 GFADRO C[NH+](C)CCNS(=O)(=O)c1cccc(NCc2ccc(Cl)c(F)c2)c1 ZINC000512622825 564406738 /nfs/dbraw/zinc/40/67/38/564406738.db2.gz OYYHJUKIAULMRH-UHFFFAOYSA-N 1 0 385.892 2.931 20 0 GFADRO C[C@H](Oc1cc(Cl)cc(Cl)c1)C(=O)NC[C@H]1CCC[N@@H+]1CCCO ZINC000452355858 564408045 /nfs/dbraw/zinc/40/80/45/564408045.db2.gz ZCYMZDZXCQGCJZ-SWLSCSKDSA-N 1 0 375.296 2.724 20 0 GFADRO C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)NC[C@H]1CCC[N@@H+]1CCCO ZINC000452350497 564408149 /nfs/dbraw/zinc/40/81/49/564408149.db2.gz OMPXBYLGXMIZHN-QWHCGFSZSA-N 1 0 375.296 2.724 20 0 GFADRO C[C@H](Oc1cccc(Cl)c1Cl)C(=O)NC[C@@H]1CCC[N@@H+]1CCCO ZINC000452356210 564408412 /nfs/dbraw/zinc/40/84/12/564408412.db2.gz ZVXHKZIOVZXHQJ-STQMWFEESA-N 1 0 375.296 2.724 20 0 GFADRO O=C(CSc1cccc(C(F)(F)F)c1)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000452377695 564409787 /nfs/dbraw/zinc/40/97/87/564409787.db2.gz SAETXOXTTJRKJJ-AWEZNQCLSA-N 1 0 376.444 2.761 20 0 GFADRO COC[C@]1(CNC(=O)Nc2cccc3c(Br)ccnc23)CCC[NH2+]1 ZINC000568226183 564410038 /nfs/dbraw/zinc/41/00/38/564410038.db2.gz APEZZZXEZMKRCT-QGZVFWFLSA-N 1 0 393.285 2.887 20 0 GFADRO O=C(N[C@H]1CCC[N@@H+](CCCO)C1)c1cc2cc(Br)ccc2[nH]1 ZINC000452374830 564410465 /nfs/dbraw/zinc/41/04/65/564410465.db2.gz KYRGBKYGVJEUDY-AWEZNQCLSA-N 1 0 380.286 2.507 20 0 GFADRO Cc1cc(C(C)(C)C(=O)N[C@@H]2CCC[N@H+](CCCO)C2)ccc1Br ZINC000452381573 564411246 /nfs/dbraw/zinc/41/12/46/564411246.db2.gz JWCXMDHPDHESTA-MRXNPFEDSA-N 1 0 397.357 2.998 20 0 GFADRO CSC1(C[NH2+]C[C@@H](O)COc2ccccc2C(F)(F)F)CCOCC1 ZINC000568254672 564411286 /nfs/dbraw/zinc/41/12/86/564411286.db2.gz HQSWKMCNKQXCJT-CYBMUJFWSA-N 1 0 379.444 2.947 20 0 GFADRO O[C@H](COc1cccc(Br)c1)C[N@@H+]1CC[C@H](COC(F)F)C1 ZINC000512812321 564412442 /nfs/dbraw/zinc/41/24/42/564412442.db2.gz SCJWARLXHLIGQF-AAEUAGOBSA-N 1 0 380.229 2.750 20 0 GFADRO CN(C)S(=O)(=O)[C@@H]1C[N@H+](C[C@H]2CCCC(F)(F)C2)C[C@H]1C(F)(F)F ZINC000512806502 564412494 /nfs/dbraw/zinc/41/24/94/564412494.db2.gz WXWHTFIZGOMKDX-QJPTWQEYSA-N 1 0 378.407 2.566 20 0 GFADRO CC(=O)N1CC([NH2+][C@@H](C)CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000568295254 564413354 /nfs/dbraw/zinc/41/33/54/564413354.db2.gz VAVOAVMCYFVSLT-VIFPVBQESA-N 1 0 377.794 2.896 20 0 GFADRO CCc1ncc(S(=O)(=O)NC[C@H](C2CC2)[N@H+](C)Cc2ccccc2)s1 ZINC000478759399 564413797 /nfs/dbraw/zinc/41/37/97/564413797.db2.gz XOFKZXXHDFXJAV-MRXNPFEDSA-N 1 0 379.551 2.894 20 0 GFADRO Cc1ccc(OC(F)F)c(C[NH2+]C[C@H]2CCCC[C@@H]2NS(C)(=O)=O)c1 ZINC000512850557 564413924 /nfs/dbraw/zinc/41/39/24/564413924.db2.gz JRAPKTFQQKFQSZ-HIFRSBDPSA-N 1 0 376.469 2.794 20 0 GFADRO CS(=O)(=O)N[C@@H]1CCCC[C@H]1C[NH2+]Cc1cccc(OC(F)(F)F)c1 ZINC000512864717 564414814 /nfs/dbraw/zinc/41/48/14/564414814.db2.gz OSEGCGMOGWRSQT-DZGCQCFKSA-N 1 0 380.432 2.783 20 0 GFADRO CS(=O)(=O)N1CCCC[C@H]1C[NH2+]Cc1ccccc1OCC(F)(F)F ZINC000513002462 564417750 /nfs/dbraw/zinc/41/77/50/564417750.db2.gz ZLFYQJMGWBMPOA-AWEZNQCLSA-N 1 0 380.432 2.531 20 0 GFADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CSCc2ncc(Cl)s2)C1 ZINC000478922189 564418873 /nfs/dbraw/zinc/41/88/73/564418873.db2.gz WUOMZVJYSYPCCP-LBPRGKRZSA-N 1 0 377.963 2.503 20 0 GFADRO C[C@@H]1CN(C(=O)c2c(O)cnc3c(Br)cccc32)C[C@H](C)[N@H+]1C ZINC000513074113 564420006 /nfs/dbraw/zinc/42/00/06/564420006.db2.gz HAVRAIIXIFXSEM-PHIMTYICSA-N 1 0 378.270 2.868 20 0 GFADRO Cc1cccc(C[C@H](CO)[NH2+]C[C@@H](O)COc2ccc(Br)cc2)c1 ZINC000568511714 564422367 /nfs/dbraw/zinc/42/23/67/564422367.db2.gz SSKHYEFJJFYFIV-QZTJIDSGSA-N 1 0 394.309 2.690 20 0 GFADRO C[C@@H]([NH3+])C[C@H](C)NC(=O)CCc1nc(-c2cc(Br)cs2)no1 ZINC000568630506 564428084 /nfs/dbraw/zinc/42/80/84/564428084.db2.gz QQGZKFSCERPDED-BDAKNGLRSA-N 1 0 387.303 2.735 20 0 GFADRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)Cc1csc(-c2cccs2)n1 ZINC000513377816 564428554 /nfs/dbraw/zinc/42/85/54/564428554.db2.gz NPEHRPFBIJXRAS-HNNXBMFYSA-N 1 0 379.551 2.983 20 0 GFADRO CC(C)C[C@H](Cc1cccc(Br)c1)C(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC000545862001 564434646 /nfs/dbraw/zinc/43/46/46/564434646.db2.gz AZCLJUFYKMHILW-VQIMIIECSA-N 1 0 397.357 2.837 20 0 GFADRO C[C@H]1C[C@@H](NC(=O)c2c(O)cnc3c(Br)cccc32)CC[N@@H+]1C ZINC000568808852 564435583 /nfs/dbraw/zinc/43/55/83/564435583.db2.gz NPRDJWKDJYEHJA-QWRGUYRKSA-N 1 0 378.270 2.915 20 0 GFADRO C[C@H](CNC(=O)NCCCn1cc(Br)cn1)[N@@H+]1CCCC[C@H]1C ZINC000479346541 564436501 /nfs/dbraw/zinc/43/65/01/564436501.db2.gz LBROLUXTZCJWEP-ZIAGYGMSSA-N 1 0 386.338 2.598 20 0 GFADRO COCCC[N@H+](C)CCNC(=O)N(C)Cc1ccc(F)cc1Br ZINC000479324493 564436662 /nfs/dbraw/zinc/43/66/62/564436662.db2.gz YJMYWICVTVYFGZ-UHFFFAOYSA-N 1 0 390.297 2.698 20 0 GFADRO CS(=O)(=O)NCCC[NH2+][C@H](c1ccc(Br)cc1F)C1CC1 ZINC000479365524 564437095 /nfs/dbraw/zinc/43/70/95/564437095.db2.gz YIORDKJAQYLAPU-AWEZNQCLSA-N 1 0 379.295 2.568 20 0 GFADRO C[C@H]1CCc2ccc(Br)cc2[C@H]([NH2+]CCCNS(C)(=O)=O)C1 ZINC000479357106 564437101 /nfs/dbraw/zinc/43/71/01/564437101.db2.gz HRCUOTCTGCRUFB-BLLLJJGKSA-N 1 0 389.359 2.992 20 0 GFADRO Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)[NH2+]CCOc1ncccc1Cl ZINC000479388847 564438121 /nfs/dbraw/zinc/43/81/21/564438121.db2.gz IXZPRELQLRCFJK-ZDUSSCGKSA-N 1 0 383.901 2.729 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc(Br)ccc3Br)C[C@@H]21 ZINC000452969749 564439792 /nfs/dbraw/zinc/43/97/92/564439792.db2.gz DLQXGILSBQFDCU-RNCFNFMXSA-N 1 0 388.103 2.988 20 0 GFADRO Cc1ncc(Br)cc1NC(=O)c1ccnc(OCC[NH+](C)C)c1 ZINC000453003418 564442386 /nfs/dbraw/zinc/44/23/86/564442386.db2.gz RVNGHEMOTUZDSI-UHFFFAOYSA-N 1 0 379.258 2.740 20 0 GFADRO C[C@H](CCC[NH3+])NC(=O)c1nn(-c2cccc(Br)c2)c2c1CCC2 ZINC000568999427 564444346 /nfs/dbraw/zinc/44/43/46/564444346.db2.gz JPLGGLLYSAZVTP-GFCCVEGCSA-N 1 0 391.313 2.981 20 0 GFADRO COCC[C@](C)(O)C[NH2+][C@H](C)c1ccc(F)c(I)c1 ZINC000453110638 564446449 /nfs/dbraw/zinc/44/64/49/564446449.db2.gz CRLZQIUXNSAGPR-YGRLFVJLSA-N 1 0 381.229 2.868 20 0 GFADRO CCO[C@@H]1COCC[C@@H]1[NH2+][C@@H](C)CC(=O)Nc1ccc(Br)cc1 ZINC000546163208 564446675 /nfs/dbraw/zinc/44/66/75/564446675.db2.gz GDVJCHYQJBBBRO-VBNZEHGJSA-N 1 0 385.302 2.950 20 0 GFADRO CC[C@H]([NH2+]C[C@H]1CCN(S(C)(=O)=O)C1)c1ccccc1Br ZINC000514141558 564446780 /nfs/dbraw/zinc/44/67/80/564446780.db2.gz HBNMTDCJCHTGCE-DOMZBBRYSA-N 1 0 375.332 2.771 20 0 GFADRO COc1ccc(Br)c(C(=O)NCCC[NH2+][C@H](C)c2ccncn2)c1 ZINC000453103974 564447166 /nfs/dbraw/zinc/44/71/66/564447166.db2.gz BQGOTKNPBHSWGO-GFCCVEGCSA-N 1 0 393.285 2.718 20 0 GFADRO C[C@@H](Sc1nnnn1CC[NH+](C)C)c1nnc(-c2cccc(Cl)c2)o1 ZINC000479666606 564447336 /nfs/dbraw/zinc/44/73/36/564447336.db2.gz PWLMMMQSCAMRKO-SNVBAGLBSA-N 1 0 379.877 2.791 20 0 GFADRO C[C@H]([NH2+]C[C@]1(O)CCSC1)c1ccc(F)c(I)c1 ZINC000453144420 564447497 /nfs/dbraw/zinc/44/74/97/564447497.db2.gz VWANYHRRQOSUBA-TVQRCGJNSA-N 1 0 381.254 2.949 20 0 GFADRO C[C@H]([NH2+]CCc1ccc(S(=O)(=O)N2CCCCC2)s1)c1ccncn1 ZINC000453121902 564447561 /nfs/dbraw/zinc/44/75/61/564447561.db2.gz PSSWSMAPTNOXBP-AWEZNQCLSA-N 1 0 380.539 2.606 20 0 GFADRO CC(C)[C@H](Cn1cccn1)[NH2+]CCNC(=O)c1cccc(Br)c1 ZINC000453134483 564447773 /nfs/dbraw/zinc/44/77/73/564447773.db2.gz FKVCLBMUHLCBEW-INIZCTEOSA-N 1 0 379.302 2.690 20 0 GFADRO CN(C)C(=O)[C@@H]1CC[C@@H](C[NH2+][C@H](Cc2ccccc2Br)C2CC2)O1 ZINC000453159783 564448498 /nfs/dbraw/zinc/44/84/98/564448498.db2.gz FYZYXOMYSDNIMZ-JQHSSLGASA-N 1 0 395.341 2.996 20 0 GFADRO C[C@@H](OC[C@@H](O)C[NH2+]CCC(C)(C)S(C)(=O)=O)c1ccc(Cl)cc1 ZINC000569111322 564449806 /nfs/dbraw/zinc/44/98/06/564449806.db2.gz QBHDIYWWUXRKHX-CJNGLKHVSA-N 1 0 377.934 2.581 20 0 GFADRO CSCC[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)N[C@@H](C)[C@H](C)[NH3+] ZINC000569119415 564449846 /nfs/dbraw/zinc/44/98/46/564449846.db2.gz NLRKXWIXMFGUGC-BHDSKKPTSA-N 1 0 392.352 2.697 20 0 GFADRO COc1ccc([C@@H](C)[NH2+]CCn2cc(Br)ccc2=O)c(OC)c1 ZINC000453250978 564450594 /nfs/dbraw/zinc/45/05/94/564450594.db2.gz NEAHLPGANVNVTM-GFCCVEGCSA-N 1 0 381.270 2.979 20 0 GFADRO COC[C@](C)(O)CC[NH2+][C@@H](C)c1nnn(-c2cccc(Br)c2)c1C ZINC000453262247 564450959 /nfs/dbraw/zinc/45/09/59/564450959.db2.gz SNMWWEASNLJCDQ-YVEFUNNKSA-N 1 0 397.317 2.776 20 0 GFADRO O=c1ccc(Br)cn1CC[NH2+]C1CC(OCc2ccccc2)C1 ZINC000453259265 564451122 /nfs/dbraw/zinc/45/11/22/564451122.db2.gz WUMPVYJPNCMVNF-UHFFFAOYSA-N 1 0 377.282 2.948 20 0 GFADRO CC[C@@H](CNS(C)(=O)=O)[NH2+][C@H]1CCCOc2c(Br)cccc21 ZINC000453288283 564451650 /nfs/dbraw/zinc/45/16/50/564451650.db2.gz QXROGDBJAHYBCJ-FZMZJTMJSA-N 1 0 391.331 2.580 20 0 GFADRO CC[C@H](CNS(C)(=O)=O)[NH2+][C@@H](c1cccc(OC(F)(F)F)c1)C1CC1 ZINC000453272605 564451884 /nfs/dbraw/zinc/45/18/84/564451884.db2.gz BHZPBGBIOBREHF-UKRRQHHQSA-N 1 0 380.432 2.954 20 0 GFADRO CC[C@@H](CNS(C)(=O)=O)[NH2+][C@@H]1CCCOc2c(Br)cccc21 ZINC000453288287 564452229 /nfs/dbraw/zinc/45/22/29/564452229.db2.gz QXROGDBJAHYBCJ-SMDDNHRTSA-N 1 0 391.331 2.580 20 0 GFADRO CC[C@H](CNS(C)(=O)=O)[NH2+][C@H](Cc1cccnc1)c1ccc(Cl)cc1 ZINC000453294350 564453003 /nfs/dbraw/zinc/45/30/03/564453003.db2.gz WYOLUZPZVYLBCM-QZTJIDSGSA-N 1 0 381.929 2.936 20 0 GFADRO CC[NH2+]CCCNC(=O)C(=O)N[C@@H](c1ccsc1)c1ccc(Cl)cc1 ZINC000569204455 564453424 /nfs/dbraw/zinc/45/34/24/564453424.db2.gz PWXHLTNLKYBSMZ-MRXNPFEDSA-N 1 0 379.913 2.723 20 0 GFADRO C[N@@H+](Cc1ccc(Br)c(F)c1)C[C@@H](O)COC[C@H]1CCCO1 ZINC000514703657 564454745 /nfs/dbraw/zinc/45/47/45/564454745.db2.gz NMCZRDRPWGFMCD-ZIAGYGMSSA-N 1 0 376.266 2.577 20 0 GFADRO CSc1c(C(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)cnn1C ZINC000479938655 564455233 /nfs/dbraw/zinc/45/52/33/564455233.db2.gz JXQWJAGPKYXVMN-UHFFFAOYSA-N 1 0 376.551 2.986 20 0 GFADRO C[C@H]([NH2+]C[C@@H](CO)Cc1cc(Br)ccc1F)c1ccc(=O)[nH]n1 ZINC000453387906 564455889 /nfs/dbraw/zinc/45/58/89/564455889.db2.gz WEYMGIAFTSKPAM-QWRGUYRKSA-N 1 0 384.249 2.586 20 0 GFADRO O=C(C[NH2+]C1CCN(CC(F)F)CC1)Nc1cccc(Br)c1 ZINC000569284954 564456885 /nfs/dbraw/zinc/45/68/85/564456885.db2.gz WPZOMVFRTOPDGA-UHFFFAOYSA-N 1 0 376.245 2.707 20 0 GFADRO CCn1c(-c2cc(Br)c[nH]2)nnc1N(C)[C@H]1CC[N@@H+](C(C)C)C1 ZINC000453467928 564457366 /nfs/dbraw/zinc/45/73/66/564457366.db2.gz NRBIWDWNRDJRRZ-ZDUSSCGKSA-N 1 0 381.322 2.975 20 0 GFADRO Cn1nccc1[C@H]1C[C@H]([NH2+]Cc2cc3c(cc2Br)OCO3)CCO1 ZINC000514776484 564457654 /nfs/dbraw/zinc/45/76/54/564457654.db2.gz FUNIUWYSLSCRQM-IUODEOHRSA-N 1 0 394.269 2.921 20 0 GFADRO C[C@H](C(=O)N1CCC[C@H](n2cc(C[NH3+])nn2)C1)c1ccc(Br)s1 ZINC000514787653 564457716 /nfs/dbraw/zinc/45/77/16/564457716.db2.gz ATOABZWCCWGMOF-JQWIXIFHSA-N 1 0 398.330 2.528 20 0 GFADRO CCS(=O)(=O)N1CC(C[NH2+]Cc2cc3cc(Br)ccc3o2)C1 ZINC000514799205 564458076 /nfs/dbraw/zinc/45/80/76/564458076.db2.gz PBMJDLOLLFVOHV-UHFFFAOYSA-N 1 0 387.299 2.566 20 0 GFADRO C[C@H]1C[C@@H](NC(=O)NCc2cc3c(c(Br)c2)OCO3)c2nccn21 ZINC000569311544 564458321 /nfs/dbraw/zinc/45/83/21/564458321.db2.gz OFQCLYPGEIMWQB-JOYOIKCWSA-N 1 0 393.241 2.880 20 0 GFADRO Cc1cc(Br)c(C[NH2+][C@@H]2CCC[C@@H]2CNS(C)(=O)=O)s1 ZINC000453571647 564458677 /nfs/dbraw/zinc/45/86/77/564458677.db2.gz DUWPVMTZEJEHQW-ZYHUDNBSSA-N 1 0 381.361 2.627 20 0 GFADRO CC[N@@H+]1CCC[C@H](CNS(=O)(=O)c2cc(Br)ccc2F)C1 ZINC000546593662 564460081 /nfs/dbraw/zinc/46/00/81/564460081.db2.gz LTDCOXIOVJHISK-LLVKDONJSA-N 1 0 379.295 2.598 20 0 GFADRO C[C@@H]1C[N@H+](C)[C@H](C)CN1c1ncnc2cccc(I)c21 ZINC000546582399 564460628 /nfs/dbraw/zinc/46/06/28/564460628.db2.gz ZAEBIOAEPUXXRL-GHMZBOCLSA-N 1 0 382.249 2.763 20 0 GFADRO Cc1cc(Br)cn2c(C[NH2+][C@@H]3C[C@@H]4CCCCN4C3=O)cnc12 ZINC000453641772 564461296 /nfs/dbraw/zinc/46/12/96/564461296.db2.gz YMEZISAYYQVUGZ-DZGCQCFKSA-N 1 0 377.286 2.648 20 0 GFADRO CSc1ccc(NC(=O)C(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)cc1Cl ZINC000480127280 564461403 /nfs/dbraw/zinc/46/14/03/564461403.db2.gz VORDXGOFUNLOCT-SFHVURJKSA-N 1 0 381.929 2.945 20 0 GFADRO Cc1cc(Cl)cc(NC(=O)C(=O)NC[C@H]2CCC[N@H+]2C)c1Br ZINC000453652194 564462311 /nfs/dbraw/zinc/46/23/11/564462311.db2.gz ZEFYVBGSPXCYCJ-LLVKDONJSA-N 1 0 388.693 2.560 20 0 GFADRO C[C@H](CO)CCC[NH2+][C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000480168100 564462427 /nfs/dbraw/zinc/46/24/27/564462427.db2.gz UCMKONBPZLOXBO-SMDDNHRTSA-N 1 0 376.316 2.666 20 0 GFADRO CN(C)[C@@H](C[NH2+][C@H]1CCS(=O)(=O)c2ccc(Br)cc21)C1CC1 ZINC000480234520 564464839 /nfs/dbraw/zinc/46/48/39/564464839.db2.gz SAAAHGZWHVDMKT-GJZGRUSLSA-N 1 0 387.343 2.597 20 0 GFADRO O=C(Nc1cccc2c1CC[NH2+]C2)C(=O)N1CCc2sc(Cl)cc2C1 ZINC000569485767 564466011 /nfs/dbraw/zinc/46/60/11/564466011.db2.gz YSMHPBUMYKMBHO-UHFFFAOYSA-N 1 0 375.881 2.571 20 0 GFADRO Ic1ccc2ncnc(NC[C@H]3CC[N@@H+](C4CC4)C3)c2c1 ZINC000569519959 564466724 /nfs/dbraw/zinc/46/67/24/564466724.db2.gz RJUNWWNMOMXULZ-LLVKDONJSA-N 1 0 394.260 3.131 20 0 GFADRO CSCC[C@@H]([NH3+])C(=O)Nc1ccc2c(c1)CCC(=O)N2CC(F)(F)F ZINC000515040568 564467237 /nfs/dbraw/zinc/46/72/37/564467237.db2.gz CPFFFKKSZPDRCI-GFCCVEGCSA-N 1 0 375.416 2.547 20 0 GFADRO Cn1cc(N2CCC[C@@H]([NH2+]Cc3cn4ccc(Br)cc4n3)C2)cn1 ZINC000569533512 564467623 /nfs/dbraw/zinc/46/76/23/564467623.db2.gz KVUOPIFLUFTTCA-CQSZACIVSA-N 1 0 389.301 2.589 20 0 GFADRO C[C@@H](Oc1cccc(Br)c1)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000480290279 564467981 /nfs/dbraw/zinc/46/79/81/564467981.db2.gz XMNOIFKRPIDGTD-WBMJQRKESA-N 1 0 387.343 2.770 20 0 GFADRO C[C@H]([NH2+]CCNS(=O)(=O)c1cccc(Cl)c1Cl)[C@@]1(C)CCCO1 ZINC000515076998 564469017 /nfs/dbraw/zinc/46/90/17/564469017.db2.gz CDQYAVJXXPYNAJ-XHDPSFHLSA-N 1 0 381.325 2.819 20 0 GFADRO O=C(NCC[N@@H+]1CCCOCC1)NCc1cc(Cl)ccc1Br ZINC000569600443 564470618 /nfs/dbraw/zinc/47/06/18/564470618.db2.gz UPQZOSGLGUOZCN-UHFFFAOYSA-N 1 0 390.709 2.624 20 0 GFADRO FC(F)(F)c1cc(Br)cc(C[NH2+][C@H]2CCc3nnnn3CC2)c1 ZINC000569588084 564470653 /nfs/dbraw/zinc/47/06/53/564470653.db2.gz AWOZWFJSDWZNDD-LBPRGKRZSA-N 1 0 390.207 2.949 20 0 GFADRO O=C(Nc1cc(Cl)c(Cl)c(Cl)c1)C(=O)N[C@@H]1CCn2ccnc2C1 ZINC000569611553 564471306 /nfs/dbraw/zinc/47/13/06/564471306.db2.gz YRMGPIKZZHKTKJ-MRVPVSSYSA-N 1 0 387.654 2.913 20 0 GFADRO O=S(=O)(c1csc(-c2ccccc2)n1)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000569604281 564471715 /nfs/dbraw/zinc/47/17/15/564471715.db2.gz OGPVKUIJZWBRFY-JKSUJKDBSA-N 1 0 377.535 2.820 20 0 GFADRO CS[C@@H]1CN(C(=O)Nc2ccc(F)cc2OCC(F)F)C[C@H]1[NH+](C)C ZINC000546852215 564471820 /nfs/dbraw/zinc/47/18/20/564471820.db2.gz BCUIYXWPQMYNJY-TZMCWYRMSA-N 1 0 377.432 2.979 20 0 GFADRO COc1ccc(C[NH2+]C[C@H]2CCCN2c2cccnn2)c(Br)c1O ZINC000546882624 564472325 /nfs/dbraw/zinc/47/23/25/564472325.db2.gz KABUEWFGKSUGNB-CYBMUJFWSA-N 1 0 393.285 2.712 20 0 GFADRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNS(=O)(=O)c1ccc(OC(F)F)c(F)c1 ZINC000569672589 564473125 /nfs/dbraw/zinc/47/31/25/564473125.db2.gz VWPDEMLMBBIOKC-TXEJJXNPSA-N 1 0 380.432 2.968 20 0 GFADRO O=S(=O)(c1ccc(Br)cc1)N1CCC[C@@H]([NH2+]Cc2ccco2)C1 ZINC000480453461 564474565 /nfs/dbraw/zinc/47/45/65/564474565.db2.gz KMHMJOOMWVPKSP-CQSZACIVSA-N 1 0 399.310 2.985 20 0 GFADRO C[C@@H](NCc1ccc(S(=O)(=O)N(C)C)s1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000515348680 564476020 /nfs/dbraw/zinc/47/60/20/564476020.db2.gz IWRWGRCUQARBJC-HUUCEWRRSA-N 1 0 385.599 2.741 20 0 GFADRO Cc1c(Br)cccc1CC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C ZINC000480514887 564477019 /nfs/dbraw/zinc/47/70/19/564477019.db2.gz VMDRWQCNUOGIQH-ZDUSSCGKSA-N 1 0 383.330 2.604 20 0 GFADRO C[C@H](NC(=O)c1cc[nH]c(=O)c1Br)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000515450993 564479127 /nfs/dbraw/zinc/47/91/27/564479127.db2.gz GIUCZUOOQCUCDE-NWDGAFQWSA-N 1 0 382.302 2.933 20 0 GFADRO O[C@@H](C[NH2+]CCc1c[nH]c2ncccc12)COc1cccc(Br)c1 ZINC000569836914 564480181 /nfs/dbraw/zinc/48/01/81/564480181.db2.gz CMMYNXXYVMWDFT-HNNXBMFYSA-N 1 0 390.281 2.897 20 0 GFADRO O=C(CC[NH2+]CCNC(=O)c1cccs1)Nc1ccc(Br)cc1 ZINC000569837344 564480248 /nfs/dbraw/zinc/48/02/48/564480248.db2.gz OMGOTYZJRZXTDQ-UHFFFAOYSA-N 1 0 396.310 2.859 20 0 GFADRO CC(C)Sc1ccc(Cl)cc1NC(=O)C(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000453915413 564481963 /nfs/dbraw/zinc/48/19/63/564481963.db2.gz AQMMMEXXAKCXKQ-SWLSCSKDSA-N 1 0 381.929 2.942 20 0 GFADRO Fc1cc2ncnc(N3CC[NH+](C4CCOCC4)CC3)c2cc1Br ZINC000547287269 564482798 /nfs/dbraw/zinc/48/27/98/564482798.db2.gz LQENYPBZCYCLOW-UHFFFAOYSA-N 1 0 395.276 2.832 20 0 GFADRO C[C@@H]([NH2+]C[C@H](O)CN1C[C@@H](C)O[C@H](C)C1)c1ccc(Br)s1 ZINC000569894053 564482837 /nfs/dbraw/zinc/48/28/37/564482837.db2.gz NTWWTBXGKLOYFY-LPWJVIDDSA-N 1 0 377.348 2.631 20 0 GFADRO CC(C)[N@@H+]1CC[C@H](CNC(=O)NCc2cc(Br)cc3c2OCC3)C1 ZINC000547315143 564484593 /nfs/dbraw/zinc/48/45/93/564484593.db2.gz QPKUECPHEFCXKX-CYBMUJFWSA-N 1 0 396.329 2.914 20 0 GFADRO C[C@H](NC(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1)c1cc(F)c(Cl)cc1Cl ZINC000569945768 564484876 /nfs/dbraw/zinc/48/48/76/564484876.db2.gz YSUHYFWWUBDPRL-QWRGUYRKSA-N 1 0 390.286 2.862 20 0 GFADRO CC(C)(CNS(=O)(=O)c1sccc1Br)C[NH+]1CCCC1 ZINC000480761947 564487392 /nfs/dbraw/zinc/48/73/92/564487392.db2.gz TYDQFBTYEZCSQU-UHFFFAOYSA-N 1 0 381.361 2.911 20 0 GFADRO CC[N@H+](C)C[C@@H](O)CN1CCC[C@@H]1c1ccccc1I ZINC000515864869 564488604 /nfs/dbraw/zinc/48/86/04/564488604.db2.gz PJVDMNVXXBWCLO-CZUORRHYSA-N 1 0 388.293 2.741 20 0 GFADRO Cc1nc(-c2cc3c(s2)CCN(C(=O)C[NH2+]C[C@@H]2CCCO2)C3)cs1 ZINC000570043330 564488679 /nfs/dbraw/zinc/48/86/79/564488679.db2.gz UHYXAYSCPRHQQW-AWEZNQCLSA-N 1 0 377.535 2.833 20 0 GFADRO Cc1cc(Br)cc(C)c1S(=O)(=O)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000480836102 564489994 /nfs/dbraw/zinc/48/99/94/564489994.db2.gz GMIDUOBGBUNIHU-WFASDCNBSA-N 1 0 387.343 2.827 20 0 GFADRO COC[C@@H]([NH2+][C@H]1CCS(=O)(=O)c2ccc(Br)cc21)C(C)C ZINC000547503763 564491907 /nfs/dbraw/zinc/49/19/07/564491907.db2.gz PJPPBZHWOOAHJR-UONOGXRCSA-N 1 0 376.316 2.928 20 0 GFADRO COc1cc(C(F)(F)F)cc(S(=O)(=O)N2CC[C@@H]([NH+]3CCCC3)C2)c1 ZINC000570133410 564492334 /nfs/dbraw/zinc/49/23/34/564492334.db2.gz XELMOWFTKANBBC-CYBMUJFWSA-N 1 0 378.416 2.573 20 0 GFADRO COC(=O)CN(Cc1cccc(Br)c1)C(=O)CCCC[NH+](C)C ZINC000570139409 564492716 /nfs/dbraw/zinc/49/27/16/564492716.db2.gz LNIQJOFJTYSILE-UHFFFAOYSA-N 1 0 385.302 2.683 20 0 GFADRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)Cn1cc(Br)cn1 ZINC000516121186 564494006 /nfs/dbraw/zinc/49/40/06/564494006.db2.gz SPGUPJRNPKSJSL-UHFFFAOYSA-N 1 0 379.302 2.802 20 0 GFADRO O=C(CCC[S@](=O)c1ccc(Br)cc1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000516191752 564495773 /nfs/dbraw/zinc/49/57/73/564495773.db2.gz VFEISKJOPPQPHH-WNSKOXEYSA-N 1 0 399.354 2.690 20 0 GFADRO Cc1ccc(NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C(C)C)C2)c(Br)c1 ZINC000454082186 564495870 /nfs/dbraw/zinc/49/58/70/564495870.db2.gz CRYSLRQPJZHODE-ZDUSSCGKSA-N 1 0 382.302 2.637 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000454092044 564497352 /nfs/dbraw/zinc/49/73/52/564497352.db2.gz JFJWIHRRJTYEOS-CQSZACIVSA-N 1 0 382.302 2.637 20 0 GFADRO Cc1cc(Br)cc(NC(=O)C(=O)NCCCC[N@@H+](C)C2CC2)c1 ZINC000454107130 564497912 /nfs/dbraw/zinc/49/79/12/564497912.db2.gz PHQUDZWNFIYREO-UHFFFAOYSA-N 1 0 382.302 2.687 20 0 GFADRO O=C(Cn1ccnc1)Nc1cc(Br)cnc1OCC(F)(F)F ZINC000570257720 564498096 /nfs/dbraw/zinc/49/80/96/564498096.db2.gz VIEWEKWHKVXTQK-UHFFFAOYSA-N 1 0 379.136 2.620 20 0 GFADRO COCCn1cc(CN(CC[NH+](C)C)Cc2ccc(Br)cc2)cn1 ZINC000570247895 564498167 /nfs/dbraw/zinc/49/81/67/564498167.db2.gz FRLIKMZMXXIVNO-UHFFFAOYSA-N 1 0 395.345 2.856 20 0 GFADRO C[C@]1(C[NH3+])CCN(S(=O)(=O)Cc2ccc(Cl)cc2Br)C1 ZINC000570279870 564499309 /nfs/dbraw/zinc/49/93/09/564499309.db2.gz PLPYGIDHQQIOLX-CYBMUJFWSA-N 1 0 381.723 2.603 20 0 GFADRO C[C@H]1CC[NH2+]C[C@@H]1NS(=O)(=O)Cc1cc(Cl)ccc1Br ZINC000516569834 564505962 /nfs/dbraw/zinc/50/59/62/564505962.db2.gz JTIQQNZRBLZQGL-ZANVPECISA-N 1 0 381.723 2.520 20 0 GFADRO C[C@H]([NH2+]C1CC1)C(=O)NCc1cc(Cl)cc(I)c1 ZINC000570449311 564506271 /nfs/dbraw/zinc/50/62/71/564506271.db2.gz WIQYTACFMSZTCU-QMMMGPOBSA-N 1 0 378.641 2.701 20 0 GFADRO CC1CC[NH+](CCCNC(=O)c2ccc(I)cn2)CC1 ZINC000454346518 564507143 /nfs/dbraw/zinc/50/71/43/564507143.db2.gz QMGYWCVMOMTMJA-UHFFFAOYSA-N 1 0 387.265 2.538 20 0 GFADRO C[NH+](C)[C@]1(CNC(=O)NCc2ccc(F)cc2Br)CCSC1 ZINC000481268066 564508424 /nfs/dbraw/zinc/50/84/24/564508424.db2.gz XXKNYADEOAKGMD-HNNXBMFYSA-N 1 0 390.322 2.825 20 0 GFADRO CC[C@@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1ccc(OC(F)F)c(F)c1 ZINC000570516362 564509766 /nfs/dbraw/zinc/50/97/66/564509766.db2.gz AMJRKCQAPIRJSS-GFCCVEGCSA-N 1 0 380.432 2.970 20 0 GFADRO C[C@@H](CNC(=O)NCC1(c2ccc(Br)cc2)CCOCC1)[NH+](C)C ZINC000454418505 564509845 /nfs/dbraw/zinc/50/98/45/564509845.db2.gz AELOIWMVPAJTTP-AWEZNQCLSA-N 1 0 398.345 2.747 20 0 GFADRO CC[N@@H+]1CCCC[C@H]1CNC(=O)NCc1nc(C)c(Br)s1 ZINC000454484198 564511920 /nfs/dbraw/zinc/51/19/20/564511920.db2.gz KZIJKJTXFPKRDK-NSHDSACASA-N 1 0 375.336 2.888 20 0 GFADRO C[C@H](CNC(=O)NCc1nn(C)cc1Br)[N@H+](C)Cc1ccccc1 ZINC000454480616 564512016 /nfs/dbraw/zinc/51/20/16/564512016.db2.gz CYXGHFTWCZCDBW-CYBMUJFWSA-N 1 0 394.317 2.502 20 0 GFADRO COCCC[N@H+](C)CCNC(=O)N1CC[C@H](c2cccc(Br)c2)C1 ZINC000454547612 564513208 /nfs/dbraw/zinc/51/32/08/564513208.db2.gz IKDUTTMROBKYIE-INIZCTEOSA-N 1 0 398.345 2.916 20 0 GFADRO COCC[N@@H+]1CC[C@H](NC(=O)N[C@H](C)c2ccc(F)c(Br)c2)C1 ZINC000454533413 564513677 /nfs/dbraw/zinc/51/36/77/564513677.db2.gz CYHFULQSNRKCSN-YPMHNXCESA-N 1 0 388.281 2.669 20 0 GFADRO C[NH+](C)[C@]1(CNC(=O)N2CC(C)(C)O[C@](C)(C(F)(F)F)C2)CCSC1 ZINC000454591973 564515040 /nfs/dbraw/zinc/51/50/40/564515040.db2.gz ARRTURKPTUNFHJ-GJZGRUSLSA-N 1 0 383.480 2.565 20 0 GFADRO C[C@@]([NH3+])(C(=O)NC[C@@H](CO)Cc1ccccc1)c1ccc(Br)cc1 ZINC000570680256 564517307 /nfs/dbraw/zinc/51/73/07/564517307.db2.gz LEUPRTOIVHMJSR-KXBFYZLASA-N 1 0 391.309 2.590 20 0 GFADRO Cc1ccc(-c2nc3c(s2)[C@@H]([NH2+]CCS(=O)(=O)N(C)C)CCC3)cc1 ZINC000516939776 564517562 /nfs/dbraw/zinc/51/75/62/564517562.db2.gz FXJYWUCVKXJONX-HNNXBMFYSA-N 1 0 379.551 2.977 20 0 GFADRO CCC[C@H]1C[NH2+]CCN1C(=O)c1nn(-c2ccc(F)cc2)cc1Br ZINC000570717360 564518116 /nfs/dbraw/zinc/51/81/16/564518116.db2.gz YIESGXCHRHEQTM-AWEZNQCLSA-N 1 0 395.276 2.988 20 0 GFADRO C[C@H]([NH3+])C[C@H](C)NC(=O)N1CCN(C(=O)c2c(Cl)cccc2Cl)CC1 ZINC000516968320 564518742 /nfs/dbraw/zinc/51/87/42/564518742.db2.gz AAQUKJDUASOUIN-RYUDHWBXSA-N 1 0 387.311 2.587 20 0 GFADRO COCC[N@@H+]1CC[C@H](NC(=O)[C@H](C)Cc2ccc(F)c(Br)c2)C1 ZINC000481751790 564521298 /nfs/dbraw/zinc/52/12/98/564521298.db2.gz BJSQHWUVVUFZRV-OCCSQVGLSA-N 1 0 387.293 2.604 20 0 GFADRO CC1(C)NC(=O)N(CC[NH2+][C@H](c2cc(F)cc(Br)c2)C2CC2)C1=O ZINC000481736959 564521669 /nfs/dbraw/zinc/52/16/69/564521669.db2.gz OPTFROYRZRVDJG-AWEZNQCLSA-N 1 0 398.276 2.959 20 0 GFADRO CC[NH+](CC)CC[C@@H](CO)NC(=O)C1(c2ccccc2Br)CC1 ZINC000570860502 564524925 /nfs/dbraw/zinc/52/49/25/564524925.db2.gz HZZIRADUTCKGKW-AWEZNQCLSA-N 1 0 383.330 2.690 20 0 GFADRO COCC1(CNC(=O)Nc2ccc(Br)c(C3CC3)n2)CC[NH2+]CC1 ZINC000570909091 564526803 /nfs/dbraw/zinc/52/68/03/564526803.db2.gz LBXQCOCRAQUSPZ-UHFFFAOYSA-N 1 0 397.317 2.859 20 0 GFADRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)Cc2ccc(Br)cc2O)C1 ZINC000548076964 564530153 /nfs/dbraw/zinc/53/01/53/564530153.db2.gz ATRZCJONMXLIFL-INIZCTEOSA-N 1 0 399.329 2.657 20 0 GFADRO CSc1ccc([C@H](CNC(=O)CNC(=O)c2cccs2)[NH+](C)C)cc1 ZINC000571000528 564531418 /nfs/dbraw/zinc/53/14/18/564531418.db2.gz AYRKBEBVAXKKCA-HNNXBMFYSA-N 1 0 377.535 2.619 20 0 GFADRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)Nc1ccc(Cl)c(S(C)(=O)=O)c1 ZINC000482049788 564532280 /nfs/dbraw/zinc/53/22/80/564532280.db2.gz NXONWZQRNQIIGU-IUODEOHRSA-N 1 0 385.917 2.834 20 0 GFADRO O=S(=O)(NCC1([NH+]2CCSCC2)CCCCC1)c1ccc(F)c(F)c1 ZINC000482078231 564533523 /nfs/dbraw/zinc/53/35/23/564533523.db2.gz PVZYXUXRSZFUSQ-UHFFFAOYSA-N 1 0 390.521 2.995 20 0 GFADRO O=S1(=O)CC[C@@H]([NH2+]CCCCn2ccnc2)c2cc(Br)ccc21 ZINC000548155762 564533924 /nfs/dbraw/zinc/53/39/24/564533924.db2.gz SJDHBMUXENAGBN-OAHLLOKOSA-N 1 0 398.326 2.934 20 0 GFADRO C[C@@H]([NH2+]C[C@H](O)COCC1CC1)c1ccccc1I ZINC000482112910 564535078 /nfs/dbraw/zinc/53/50/78/564535078.db2.gz HAISSGUBQCYACL-YPMHNXCESA-N 1 0 375.250 2.729 20 0 GFADRO C[NH+](C)CCOc1cnccc1CNC(=O)c1cccc(Br)c1F ZINC000571123000 564537211 /nfs/dbraw/zinc/53/72/11/564537211.db2.gz MNJCVLOECPRBQX-UHFFFAOYSA-N 1 0 396.260 2.854 20 0 GFADRO COc1ccc(CN2CCC[C@H]([NH+]3CCOCC3)CC2)c(Br)c1O ZINC000571178858 564538942 /nfs/dbraw/zinc/53/89/42/564538942.db2.gz RXRSBVDQTLAJNJ-HNNXBMFYSA-N 1 0 399.329 2.850 20 0 GFADRO Cc1cc(Br)cc(C)c1S(=O)(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000517707847 564540395 /nfs/dbraw/zinc/54/03/95/564540395.db2.gz UCKCHXQARUHVHM-HNNXBMFYSA-N 1 0 387.343 2.923 20 0 GFADRO CCC(CC)(C(=O)NCC(=O)N1CC[NH2+]CC1)c1ccc(Cl)c(Cl)c1 ZINC000517732118 564541522 /nfs/dbraw/zinc/54/15/22/564541522.db2.gz CYYKKSUDXARNEF-UHFFFAOYSA-N 1 0 386.323 2.599 20 0 GFADRO O[C@@H]([C@@H]1CCCN1Cc1cn2ccc(Br)cc2n1)C(F)(F)F ZINC000518152963 564546684 /nfs/dbraw/zinc/54/66/84/564546684.db2.gz TZAMBNVSDKNLNE-AAEUAGOBSA-N 1 0 378.192 2.984 20 0 GFADRO COc1ccc(S(=O)(=O)N2C[C@@H]([NH+]3CCCC3)[C@@H](SC)C2)c(Cl)c1 ZINC000571358403 564547361 /nfs/dbraw/zinc/54/73/61/564547361.db2.gz ASRVLVNUEQERJP-CABCVRRESA-N 1 0 390.958 2.549 20 0 GFADRO O=c1cc(C[N@@H+]2CCSC[C@H]2C2CC2)nc2ccc(Br)cn12 ZINC000571375618 564548386 /nfs/dbraw/zinc/54/83/86/564548386.db2.gz UHDLRYMFAKREAX-AWEZNQCLSA-N 1 0 380.311 2.784 20 0 GFADRO CCN(CC)C[C@H](C)[NH2+]C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000571433009 564551221 /nfs/dbraw/zinc/55/12/21/564551221.db2.gz NGQIDUFKPSPYBE-WFASDCNBSA-N 1 0 377.298 2.648 20 0 GFADRO CCn1c(CNC(=O)NCC2CC[NH2+]CC2)nc2cc(Br)ccc21 ZINC000518345660 564551332 /nfs/dbraw/zinc/55/13/32/564551332.db2.gz UBNCJSOFKHBOQM-UHFFFAOYSA-N 1 0 394.317 2.618 20 0 GFADRO C[N@H+](Cc1ccc(I)cc1Cl)C1(CO)CCOCC1 ZINC000482861693 564551966 /nfs/dbraw/zinc/55/19/66/564551966.db2.gz WTJIJIZYSYCHCV-UHFFFAOYSA-N 1 0 395.668 2.918 20 0 GFADRO CC[C@H]1CCC[N@@H+](C(C)(C)CNS(=O)(=O)c2cc(C(=O)OC)cs2)C1 ZINC000518446088 564553953 /nfs/dbraw/zinc/55/39/53/564553953.db2.gz BYDZRUIKTZVSFM-ZDUSSCGKSA-N 1 0 388.555 2.714 20 0 GFADRO CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)N[C@@H](C)c1ncc(Br)cn1)CC2 ZINC000571499895 564554243 /nfs/dbraw/zinc/55/42/43/564554243.db2.gz QANQGOHXGONPIS-CFVMTHIKSA-N 1 0 396.333 2.957 20 0 GFADRO CS[C@H](C[NH2+]C1CCN(S(=O)(=O)c2c(C)n[nH]c2C)CC1)C(C)(C)C ZINC000548504596 564554839 /nfs/dbraw/zinc/55/48/39/564554839.db2.gz SYGBNTRAAZHAKL-OAHLLOKOSA-N 1 0 388.603 2.547 20 0 GFADRO Cc1nnc([C@@H]2CC[N@H+](CCC(=O)Nc3cccc(Br)c3)C2)[nH]1 ZINC000571527910 564555382 /nfs/dbraw/zinc/55/53/82/564555382.db2.gz OXJHIUFQWYNQHP-GFCCVEGCSA-N 1 0 378.274 2.694 20 0 GFADRO C[C@@H]1CN([C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C[C@]2(CCOC2)O1 ZINC000483173870 564559596 /nfs/dbraw/zinc/55/95/96/564559596.db2.gz IONGUQMTHBUHRP-PUECVXPYSA-N 1 0 385.291 2.979 20 0 GFADRO C[C@H](CO)[N@@H+](CC(=O)N(C)Cc1ccccc1Br)CC1CCC1 ZINC000483142861 564559826 /nfs/dbraw/zinc/55/98/26/564559826.db2.gz JHRCATAGBLVIMU-CQSZACIVSA-N 1 0 383.330 2.890 20 0 GFADRO COc1ccc(Br)cc1C(=O)CCC(=O)NCC1CC[NH2+]CC1 ZINC000571639993 564560057 /nfs/dbraw/zinc/56/00/57/564560057.db2.gz SLBFWAIDGWEYHS-UHFFFAOYSA-N 1 0 383.286 2.536 20 0 GFADRO CC[C@H](O)[C@H](CC)[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000571681961 564561969 /nfs/dbraw/zinc/56/19/69/564561969.db2.gz RKDLUKCZKLDFEI-XBFCOCLRSA-N 1 0 380.710 2.981 20 0 GFADRO C[C@@H]1C[N@H+](CCCNC(=O)Nc2nc(CC(F)(F)F)cs2)CCCO1 ZINC000455687497 564564898 /nfs/dbraw/zinc/56/48/98/564564898.db2.gz PWBZMJJRTLXNLJ-LLVKDONJSA-N 1 0 380.436 2.870 20 0 GFADRO CC[C@H](Cc1ccccc1Br)N(C)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000518942750 564565867 /nfs/dbraw/zinc/56/58/67/564565867.db2.gz MGQKHVULSKWKQC-CVEARBPZSA-N 1 0 398.345 2.790 20 0 GFADRO COCCN(CC[NH+](C)C)C(=O)Nc1c(C)ccc(F)c1Br ZINC000455746411 564568689 /nfs/dbraw/zinc/56/86/89/564568689.db2.gz HPFVXUMUZBUGQP-UHFFFAOYSA-N 1 0 376.270 2.939 20 0 GFADRO COCC[N@H+](C)CCCNC(=O)N(C)CCc1ccc(Br)cc1 ZINC000519296245 564574169 /nfs/dbraw/zinc/57/41/69/564574169.db2.gz ZBZXIEPCVUMERV-UHFFFAOYSA-N 1 0 386.334 2.601 20 0 GFADRO CC(C)[C@H](C(=O)N1CCN(Cc2ccc(Br)cc2)CC1)[NH+](C)C ZINC000483835090 564575790 /nfs/dbraw/zinc/57/57/90/564575790.db2.gz BWRXELDLEFYHEQ-QGZVFWFLSA-N 1 0 382.346 2.680 20 0 GFADRO CN(C)c1cc(NC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)ncc1Br ZINC000455859608 564575927 /nfs/dbraw/zinc/57/59/27/564575927.db2.gz CZCQJGKODKGESO-ZDUSSCGKSA-N 1 0 396.333 2.860 20 0 GFADRO O=C(CC[NH2+]CCC(=O)N1CCCCC1)Nc1ccc(Br)cc1 ZINC000548832119 564577927 /nfs/dbraw/zinc/57/79/27/564577927.db2.gz GKSFEQLMVZOQST-UHFFFAOYSA-N 1 0 382.302 2.770 20 0 GFADRO Cc1nc2cc(Cl)c(NC(=O)C(=O)N[C@@H]3CCC[N@H+](C)[C@@H]3C)cc2s1 ZINC000483962866 564579056 /nfs/dbraw/zinc/57/90/56/564579056.db2.gz RTTRFBFKEBKHBY-BXKDBHETSA-N 1 0 380.901 2.796 20 0 GFADRO Cn1ccnc1[C@@H]1C[C@H]([NH2+]Cc2cc3c(cc2Br)OCO3)CCO1 ZINC000519521595 564579988 /nfs/dbraw/zinc/57/99/88/564579988.db2.gz FRHRLHKNQQFKLA-WBMJQRKESA-N 1 0 394.269 2.921 20 0 GFADRO COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000572102030 564580625 /nfs/dbraw/zinc/58/06/25/564580625.db2.gz JFMBKEALAQNYJR-QGZVFWFLSA-N 1 0 386.279 2.543 20 0 GFADRO COC(=O)[C@@H](c1ccc(Cl)c(Cl)c1)N1CCC[N@@H+]([C@@H](C)CO)CC1 ZINC000484024520 564580885 /nfs/dbraw/zinc/58/08/85/564580885.db2.gz JDAGZFUWSLIPEG-BLLLJJGKSA-N 1 0 375.296 2.596 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CN(C)CCC[N@@H+](C)CCN(C)C ZINC000519552186 564581085 /nfs/dbraw/zinc/58/10/85/564581085.db2.gz BBWPABGQOAWSBR-UHFFFAOYSA-N 1 0 399.377 2.511 20 0 GFADRO O=C(N[C@H](c1ccsc1)c1ccc(Cl)cc1)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000484106998 564582481 /nfs/dbraw/zinc/58/24/81/564582481.db2.gz YMCOCWWSEVDBED-ROUUACIJSA-N 1 0 375.925 2.997 20 0 GFADRO Oc1cccc(CC[NH2+]C[C@H](O)COc2cc(F)cc(Br)c2)c1 ZINC000519596321 564583209 /nfs/dbraw/zinc/58/32/09/564583209.db2.gz LHZDLYQACRUQPN-INIZCTEOSA-N 1 0 384.245 2.866 20 0 GFADRO CC(C)[C@@H](CO)[C@@H]([NH2+]Cc1cc(=O)n2cc(Br)ccc2n1)C(C)C ZINC000519626075 564584704 /nfs/dbraw/zinc/58/47/04/564584704.db2.gz ZDVBZDGCYLKZMF-QAPCUYQASA-N 1 0 396.329 2.836 20 0 GFADRO COC(=O)CC[N@@H+](Cc1cccc(Br)c1)C[C@H](O)CSC ZINC000484310670 564586014 /nfs/dbraw/zinc/58/60/14/564586014.db2.gz QIIBQHXYBKVKJD-AWEZNQCLSA-N 1 0 376.316 2.538 20 0 GFADRO CC(C)OCC[NH+]1CCN(Cc2cn3ccc(Br)cc3n2)CC1 ZINC000519673330 564586223 /nfs/dbraw/zinc/58/62/23/564586223.db2.gz NXNBSZMXVHTOKV-UHFFFAOYSA-N 1 0 381.318 2.639 20 0 GFADRO [NH3+]Cc1cn([C@H]2CCCN(C(=O)NCc3ccc(Cl)cc3Cl)C2)nn1 ZINC000519753103 564589282 /nfs/dbraw/zinc/58/92/82/564589282.db2.gz PPJBCGYITWDBQX-AWEZNQCLSA-N 1 0 383.283 2.590 20 0 GFADRO CC[C@H]1C[N@H+](C)CCN1c1ncnc2ccc(I)cc21 ZINC000549264679 564590284 /nfs/dbraw/zinc/59/02/84/564590284.db2.gz LUMPWYJAPFRCPZ-LBPRGKRZSA-N 1 0 382.249 2.765 20 0 GFADRO C[C@@H]([NH3+])C[C@H](C)NC(=O)Nc1ccc(-c2ccc(Br)s2)nn1 ZINC000572363239 564591350 /nfs/dbraw/zinc/59/13/50/564591350.db2.gz QFORWOPPZHAQMK-BDAKNGLRSA-N 1 0 384.303 3.215 20 0 GFADRO CCO[C@@H]1COCC[C@H]1[NH2+]CCS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000484646580 564593927 /nfs/dbraw/zinc/59/39/27/564593927.db2.gz XVIMXYGNPRFFDQ-ZIAGYGMSSA-N 1 0 382.309 2.551 20 0 GFADRO O=C(N[C@@H]1C[C@H]1c1cccc(Br)c1)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000572466760 564596220 /nfs/dbraw/zinc/59/62/20/564596220.db2.gz DRWWQNJPUKTXIT-YRVYGCIDSA-N 1 0 378.314 2.992 20 0 GFADRO O=C(N[C@@H]1C[C@H]1c1cccc(Br)c1)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000572466759 564596261 /nfs/dbraw/zinc/59/62/61/564596261.db2.gz DRWWQNJPUKTXIT-PEHHYFEISA-N 1 0 378.314 2.992 20 0 GFADRO CC(=O)N1CCN(CC[NH2+][C@H]2CCCCc3cc(Br)ccc32)CC1 ZINC000549530123 564596901 /nfs/dbraw/zinc/59/69/01/564596901.db2.gz YAAPNRGZPZODED-IBGZPJMESA-N 1 0 394.357 2.970 20 0 GFADRO C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@H]1CCc2c1ccc(F)c2Br ZINC000456280919 564598618 /nfs/dbraw/zinc/59/86/18/564598618.db2.gz UOPUBGXFNYXNNI-NHYWBVRUSA-N 1 0 385.277 2.660 20 0 GFADRO COc1ccc(Br)cc1C(=O)CCC(=O)N[C@@H]1[C@@H](C)CC[NH2+][C@H]1C ZINC000572525982 564599017 /nfs/dbraw/zinc/59/90/17/564599017.db2.gz XBCGJFLKTIEGJE-OAVHHTNSSA-N 1 0 397.313 2.923 20 0 GFADRO CC[N@H+](CC(=O)Nc1cc(N2CCOCC2)ccc1Br)C1CC1 ZINC000456304749 564599455 /nfs/dbraw/zinc/59/94/55/564599455.db2.gz LKUUBBAHBAKERX-UHFFFAOYSA-N 1 0 382.302 2.709 20 0 GFADRO C[C@@H](NC(=O)[C@H](C)[NH2+]C1CC1)c1nc(-c2ccc(Br)cc2)no1 ZINC000520226190 564600081 /nfs/dbraw/zinc/60/00/81/564600081.db2.gz ATFHTYLSJNJHKE-VHSXEESVSA-N 1 0 379.258 2.817 20 0 GFADRO CS(=O)(=O)C[C@@H]([NH2+][C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1)C1CC1 ZINC000572621865 564602394 /nfs/dbraw/zinc/60/23/94/564602394.db2.gz YGMZBFRFWOOPSQ-BLLLJJGKSA-N 1 0 377.337 2.985 20 0 GFADRO FC(F)(F)CN1CC[C@H]([NH2+]Cc2c(Cl)cccc2N2CCOCC2)C1 ZINC000549726171 564603120 /nfs/dbraw/zinc/60/31/20/564603120.db2.gz LWMCASKICKDKPC-ZDUSSCGKSA-N 1 0 377.838 2.903 20 0 GFADRO C[C@H]1C[N@H+](C)CCN1c1ccc(Br)cc1NC(=O)[C@H]1CCCO1 ZINC000456369419 564603994 /nfs/dbraw/zinc/60/39/94/564603994.db2.gz MDYGVLJZOIYTEJ-BLLLJJGKSA-N 1 0 382.302 2.707 20 0 GFADRO C[C@@H]1C[N@H+](C)CCN1c1ccc(Br)cc1NC(=O)[C@@H]1CCOC1 ZINC000456381123 564604504 /nfs/dbraw/zinc/60/45/04/564604504.db2.gz WOLHXVBWQRXSBY-CHWSQXEVSA-N 1 0 382.302 2.564 20 0 GFADRO COCCC(=O)N1CCC([NH2+][C@H]2CCc3cccc(Br)c3C2)CC1 ZINC000549780372 564605022 /nfs/dbraw/zinc/60/50/22/564605022.db2.gz MNZNGKJQPHNKID-INIZCTEOSA-N 1 0 395.341 2.924 20 0 GFADRO CC(C)CCNC(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000549877531 564607864 /nfs/dbraw/zinc/60/78/64/564607864.db2.gz PQVRAQKUCQOZIC-UHFFFAOYSA-N 1 0 398.345 2.502 20 0 GFADRO C[C@H](CCNC(=O)C(=O)NCc1ccc(Cl)cc1Cl)[NH+]1CCCCC1 ZINC000549907381 564607916 /nfs/dbraw/zinc/60/79/16/564607916.db2.gz FNGLWZQNJTXEMI-CYBMUJFWSA-N 1 0 386.323 2.990 20 0 GFADRO [NH3+][C@@H]1CCC[C@H](CNC(=O)c2ccc(F)cc2I)C1 ZINC000520567495 564608038 /nfs/dbraw/zinc/60/80/38/564608038.db2.gz JPRZRDRCSUCFMC-GXSJLCMTSA-N 1 0 376.213 2.678 20 0 GFADRO O=C(Nc1ccc(F)cc1Br)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000520781405 564612703 /nfs/dbraw/zinc/61/27/03/564612703.db2.gz ORQSBEFTRMNISS-CYBMUJFWSA-N 1 0 398.276 2.614 20 0 GFADRO O=C1CCC(=O)N1CC[N@H+]1CCCC[C@@H]1Cc1ccccc1Br ZINC000550158249 564616124 /nfs/dbraw/zinc/61/61/24/564616124.db2.gz PHRXINIPTSVLJN-OAHLLOKOSA-N 1 0 379.298 2.995 20 0 GFADRO COc1nc(C)c(Br)cc1C(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000485474878 564616248 /nfs/dbraw/zinc/61/62/48/564616248.db2.gz DTDSVNBZTCLJAH-AWEZNQCLSA-N 1 0 396.329 2.965 20 0 GFADRO CC(C)[N@H+](C)CCNC(=O)N1CCN(Cc2ccc(Br)cc2)CC1 ZINC000485507817 564618069 /nfs/dbraw/zinc/61/80/69/564618069.db2.gz UIIQSJDXQLQNIR-UHFFFAOYSA-N 1 0 397.361 2.617 20 0 GFADRO COCCN(Cc1sccc1Br)C(=O)C[C@H]1CCC[NH2+]C1 ZINC000573019215 564619727 /nfs/dbraw/zinc/61/97/27/564619727.db2.gz QNNUDNJFJKQIAX-GFCCVEGCSA-N 1 0 375.332 2.875 20 0 GFADRO Cc1ccc(Br)cc1C(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000485629532 564621120 /nfs/dbraw/zinc/62/11/20/564621120.db2.gz TUXQNXUPRUMUBO-YJBOKZPZSA-N 1 0 394.357 2.856 20 0 GFADRO C[C@H](NC(=O)C(=O)N(C)CCC[NH+](C)C)c1cc(F)c(Cl)cc1Cl ZINC000550369581 564622467 /nfs/dbraw/zinc/62/24/67/564622467.db2.gz UCAVWVSAHMURKF-JTQLQIEISA-N 1 0 378.275 2.720 20 0 GFADRO O=S(=O)(CCC[NH2+]C[C@@H](O)COc1ccccc1Cl)c1ccccc1 ZINC000521227428 564622529 /nfs/dbraw/zinc/62/25/29/564622529.db2.gz KJHQYFFZBKGCAU-OAHLLOKOSA-N 1 0 383.897 2.533 20 0 GFADRO O=C([C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)N1CCC2(CC[NH2+]2)CC1 ZINC000521226453 564622957 /nfs/dbraw/zinc/62/29/57/564622957.db2.gz VZSVMYDEPIFYPV-ZDUSSCGKSA-N 1 0 382.291 2.701 20 0 GFADRO CC[C@@H](NC(=O)[C@@H]1C[N@@H+]2CCN1CCC2)c1cc(F)cc(Br)c1 ZINC000485667496 564623069 /nfs/dbraw/zinc/62/30/69/564623069.db2.gz GLBFVJCYINIAJX-CVEARBPZSA-N 1 0 384.293 2.545 20 0 GFADRO CCN(Cc1cccc(Br)c1)C(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000485809986 564626133 /nfs/dbraw/zinc/62/61/33/564626133.db2.gz IFOVIYIJLPRBJP-CYBMUJFWSA-N 1 0 377.286 2.911 20 0 GFADRO O[C@H](C[NH2+]CCc1c[nH]c2ncccc12)COc1ccc(Br)cc1 ZINC000521427032 564626524 /nfs/dbraw/zinc/62/65/24/564626524.db2.gz YFJPGZLXGMDERS-OAHLLOKOSA-N 1 0 390.281 2.897 20 0 GFADRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)NCc2c(Cl)cccc2Cl)C1 ZINC000550730080 564629636 /nfs/dbraw/zinc/62/96/36/564629636.db2.gz XXNZJAMWHHCJSU-MLGOLLRUSA-N 1 0 384.307 2.552 20 0 GFADRO C[NH+]1CCN(c2ccc(Cl)cc2NC(=O)CCn2cc(Cl)cn2)CC1 ZINC000521552607 564630312 /nfs/dbraw/zinc/63/03/12/564630312.db2.gz JRCKVJOFMAKQSQ-UHFFFAOYSA-N 1 0 382.295 2.971 20 0 GFADRO C[C@@H]1C[C@@H](N(C)C(=O)[C@H]2CC(=O)Nc3ccc(Br)cc32)CC[N@@H+]1C ZINC000485932256 564631834 /nfs/dbraw/zinc/63/18/34/564631834.db2.gz YJFCDYKVRCKKMU-ZLDLUXBVSA-N 1 0 394.313 2.816 20 0 GFADRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)[C@@H]1CC(=O)Nc2ccc(Br)cc21 ZINC000485932252 564632118 /nfs/dbraw/zinc/63/21/18/564632118.db2.gz YJCVTAFSKIUQLU-XFJVYGCCSA-N 1 0 394.313 2.674 20 0 GFADRO COC(=O)C1CC[NH+](CCCNc2noc3ccc(Br)cc32)CC1 ZINC000573295450 564632348 /nfs/dbraw/zinc/63/23/48/564632348.db2.gz XSTLGJQZHBDNHE-UHFFFAOYSA-N 1 0 396.285 3.277 20 0 GFADRO C[NH+](C)CC[C@H](NC(=O)C(=O)NCc1ccccc1Br)C(C)(C)C ZINC000550820457 564632372 /nfs/dbraw/zinc/63/23/72/564632372.db2.gz HHOZNYZKLMMFEW-HNNXBMFYSA-N 1 0 398.345 2.548 20 0 GFADRO CC(C)[C@H](CNC(=O)N[C@@H]1CCc2sc(Cl)cc21)[NH+]1CCN(C)CC1 ZINC000573377646 564635938 /nfs/dbraw/zinc/63/59/38/564635938.db2.gz SJDDFGWJYNMDHU-CABCVRRESA-N 1 0 384.977 2.960 20 0 GFADRO CC[NH+]1CCN(CC(C)(C)NC(=O)CCc2ccc(Br)cc2)CC1 ZINC000456876210 564636468 /nfs/dbraw/zinc/63/64/68/564636468.db2.gz AUUZSDDUHXWYPW-UHFFFAOYSA-N 1 0 396.373 2.914 20 0 GFADRO COc1ccc(I)c(NC(=O)N2CCC[C@H](C[NH3+])C2)c1 ZINC000573426217 564637317 /nfs/dbraw/zinc/63/73/17/564637317.db2.gz IXCHGHNYQUHISM-SNVBAGLBSA-N 1 0 389.237 2.502 20 0 GFADRO C[C@H]1CC[N@H+](CCNC(=O)c2cc(=O)[nH]c3c(Br)cccc23)C1 ZINC000573422994 564637397 /nfs/dbraw/zinc/63/73/97/564637397.db2.gz BOOVKHKXXVYBSO-NSHDSACASA-N 1 0 378.270 2.775 20 0 GFADRO COc1ccc(Cl)cc1S(=O)(=O)N1C[C@H](SC)[C@@H]([NH+]2CCCC2)C1 ZINC000486091516 564638684 /nfs/dbraw/zinc/63/86/84/564638684.db2.gz FZRRTISYEZDDPK-ZFWWWQNUSA-N 1 0 390.958 2.549 20 0 GFADRO CCN(CCC[NH+](C)C)C(=O)C(=O)NCCCc1ccc(Cl)cc1Cl ZINC000521938327 564639715 /nfs/dbraw/zinc/63/97/15/564639715.db2.gz YTMMSEUEHJJQGA-UHFFFAOYSA-N 1 0 388.339 2.842 20 0 GFADRO O=C([C@H]1CC(=O)Nc2ccc(Br)cc21)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000521949493 564639906 /nfs/dbraw/zinc/63/99/06/564639906.db2.gz UCZUCNWHWVMGRA-ZFWWWQNUSA-N 1 0 392.297 2.572 20 0 GFADRO O=C(N[C@H]1CCN(c2ccc(Br)cc2)C1)N1CC[NH+]2CCC1CC2 ZINC000551195298 564641155 /nfs/dbraw/zinc/64/11/55/564641155.db2.gz DVXZIZXALCOQSO-HNNXBMFYSA-N 1 0 393.329 2.517 20 0 GFADRO C[NH+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCN(c2cc(Cl)ccc2Cl)C1=O ZINC000486202216 564643017 /nfs/dbraw/zinc/64/30/17/564643017.db2.gz BMQAHCJWVSVHHA-UONOGXRCSA-N 1 0 384.307 2.899 20 0 GFADRO CC(C)c1noc(CCC[NH2+]C[C@H](O)COc2cccc(Br)c2)n1 ZINC000573557026 564643257 /nfs/dbraw/zinc/64/32/57/564643257.db2.gz NJEUEBDQGJPGBB-AWEZNQCLSA-N 1 0 398.301 2.918 20 0 GFADRO CO[C@@H]1CCN(C(=O)NCCOc2cccc(Cl)c2Cl)[C@H](C[NH3+])C1 ZINC000573582691 564645071 /nfs/dbraw/zinc/64/50/71/564645071.db2.gz JUUWSZHXVZPZGE-NWDGAFQWSA-N 1 0 376.284 2.520 20 0 GFADRO Cc1cc(S(=O)(=O)N(C)CCC2CC[NH2+]CC2)ccc1Br ZINC000573594682 564645588 /nfs/dbraw/zinc/64/55/88/564645588.db2.gz FRUBXFAHGINUDI-UHFFFAOYSA-N 1 0 375.332 2.768 20 0 GFADRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)c2cc(Br)c3c(c2)OCCO3)C1 ZINC000522167560 564646054 /nfs/dbraw/zinc/64/60/54/564646054.db2.gz PNEDLBPAMJKRIR-LBPRGKRZSA-N 1 0 383.286 2.680 20 0 GFADRO CC(=O)c1cc(Br)ccc1OCC(=O)N(C)[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000457097888 564646545 /nfs/dbraw/zinc/64/65/45/564646545.db2.gz SOLJFAAMARBUDW-OAHLLOKOSA-N 1 0 397.313 2.972 20 0 GFADRO O=C(NCc1cccc(Cl)c1Cl)C(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000573630004 564647459 /nfs/dbraw/zinc/64/74/59/564647459.db2.gz NSFONVDXQVIVGZ-CQSZACIVSA-N 1 0 384.307 2.743 20 0 GFADRO CNC(=O)c1ccc(NS(=O)(=O)c2ccc(C[NH+](C)C)cc2)c(Cl)c1 ZINC000551389277 564648340 /nfs/dbraw/zinc/64/83/40/564648340.db2.gz HHNRWOUZJFHGCL-UHFFFAOYSA-N 1 0 381.885 2.562 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)c1ncc(Br)cc1Br ZINC000573676169 564648986 /nfs/dbraw/zinc/64/89/86/564648986.db2.gz CEIINRYWCQPKOG-KWQFWETISA-N 1 0 391.107 2.949 20 0 GFADRO C[C@H]1[NH2+]CCN(S(=O)(=O)c2ccc3ccccc3c2Br)[C@H]1C ZINC000573684454 564649829 /nfs/dbraw/zinc/64/98/29/564649829.db2.gz WZUMERAKUMSTHB-NEPJUHHUSA-N 1 0 383.311 2.973 20 0 GFADRO C[NH+](C)CCOc1cccc(NC(=O)c2cc(I)c[nH]2)c1 ZINC000522389021 564651153 /nfs/dbraw/zinc/65/11/53/564651153.db2.gz NIPKSUPEZJEJIJ-UHFFFAOYSA-N 1 0 399.232 2.812 20 0 GFADRO C[NH+](C)Cc1ccc(S(=O)(=O)NCc2nc(-c3cccs3)c[nH]2)cc1 ZINC000551555238 564654300 /nfs/dbraw/zinc/65/43/00/564654300.db2.gz NQXYMTPIOFNWNR-UHFFFAOYSA-N 1 0 376.507 2.678 20 0 GFADRO OC[C@H]([NH2+]C1CCN(c2cnccn2)CC1)c1ccc(Br)c(F)c1 ZINC000573780631 564654466 /nfs/dbraw/zinc/65/44/66/564654466.db2.gz TUTPVYXHGFRANS-INIZCTEOSA-N 1 0 395.276 2.670 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cn(Cc2ccc(Cl)cc2Cl)nn1 ZINC000457380525 564658831 /nfs/dbraw/zinc/65/88/31/564658831.db2.gz BJTWQXYNVTUBAC-CQSZACIVSA-N 1 0 382.295 2.847 20 0 GFADRO [NH3+][C@@H]1CN(C(=O)c2cncc(Br)c2)CC[C@H]1c1ccc(F)cc1 ZINC000457363427 564658901 /nfs/dbraw/zinc/65/89/01/564658901.db2.gz KMVIRBKYRWOWJK-JKSUJKDBSA-N 1 0 378.245 2.940 20 0 GFADRO [NH3+]C[C@@H]1CCCN(S(=O)(=O)Cc2cc(Cl)ccc2Br)C1 ZINC000573919049 564659889 /nfs/dbraw/zinc/65/98/89/564659889.db2.gz DBNNDZDFDPOUGN-JTQLQIEISA-N 1 0 381.723 2.603 20 0 GFADRO C[C@H](NC(=O)NC[C@@H]1CCCC[N@@H+]1CCO)c1ccc(Br)cc1 ZINC000457447404 564661534 /nfs/dbraw/zinc/66/15/34/564661534.db2.gz FJLSCLIGZFCOBO-BBRMVZONSA-N 1 0 384.318 2.656 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)N[C@@H](C)CC[NH+](C)C ZINC000523217247 564663149 /nfs/dbraw/zinc/66/31/49/564663149.db2.gz CHSMKMHUXVBWNJ-ZDUSSCGKSA-N 1 0 399.333 2.726 20 0 GFADRO COC(=O)c1ccc(CN2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)c(Br)c1 ZINC000551805712 564664310 /nfs/dbraw/zinc/66/43/10/564664310.db2.gz JLCKCXGJBRFNMT-ZDUSSCGKSA-N 1 0 399.329 2.513 20 0 GFADRO C[C@H]([NH3+])C1CCN(c2ncnc3cccc(I)c32)CC1 ZINC000574025408 564665117 /nfs/dbraw/zinc/66/51/17/564665117.db2.gz JLRBJDCMXYWKPW-JTQLQIEISA-N 1 0 382.249 2.798 20 0 GFADRO CC1CC[NH+](CCCNS(=O)(=O)Cc2ccccc2Br)CC1 ZINC000574064882 564667263 /nfs/dbraw/zinc/66/72/63/564667263.db2.gz KEIUBJQLRCQZCU-UHFFFAOYSA-N 1 0 389.359 2.991 20 0 GFADRO C[NH+](C)C[C@H](O)COc1ccc(NC(=O)c2cc(Br)co2)cc1 ZINC000457619598 564667622 /nfs/dbraw/zinc/66/76/22/564667622.db2.gz BANQPBGCYZHRNP-ZDUSSCGKSA-N 1 0 383.242 2.596 20 0 GFADRO CC[NH+](CC)[C@@H](CNC(=O)NCc1n[nH]cc1Br)c1ccco1 ZINC000523430000 564667650 /nfs/dbraw/zinc/66/76/50/564667650.db2.gz LWGMEUSBNZJCBM-ZDUSSCGKSA-N 1 0 384.278 2.648 20 0 GFADRO C[NH+](C)CCOC1CCN(c2ncnc3ccc(Br)cc32)CC1 ZINC000523656849 564670099 /nfs/dbraw/zinc/67/00/99/564670099.db2.gz BJPFJKFOZNHJPO-UHFFFAOYSA-N 1 0 379.302 2.939 20 0 GFADRO O=C(CC[NH2+]C1CC1)N[C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000574170889 564670491 /nfs/dbraw/zinc/67/04/91/564670491.db2.gz JGKXAKGKHIBQCE-LBPRGKRZSA-N 1 0 376.810 2.591 20 0 GFADRO CC1(C)[C@@H]2OCCC[C@H]2[C@]1([NH3+])C(=O)N1CCc2cc(Br)ccc2C1 ZINC000574398102 564672721 /nfs/dbraw/zinc/67/27/21/564672721.db2.gz NVRVFBPPJZXAGI-MDZRGWNJSA-N 1 0 393.325 2.866 20 0 GFADRO CC1(C)[C@@H]2OCCC[C@H]2[C@@]1([NH3+])C(=O)N1CCc2cc(Br)ccc2C1 ZINC000574398101 564672746 /nfs/dbraw/zinc/67/27/46/564672746.db2.gz NVRVFBPPJZXAGI-GPMSIDNRSA-N 1 0 393.325 2.866 20 0 GFADRO CC(C)[N@H+](C)CCNC(=O)N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000487029434 564673317 /nfs/dbraw/zinc/67/33/17/564673317.db2.gz HKXWTFUGUWJBGM-HNNXBMFYSA-N 1 0 387.311 2.738 20 0 GFADRO C[C@H](Sc1ccc(Br)cc1)C(=O)NC[C@@]1(O)C[NH+]2CCC1CC2 ZINC000552026804 564674477 /nfs/dbraw/zinc/67/44/77/564674477.db2.gz DXXZAIJZCUXWGE-YVEFUNNKSA-N 1 0 399.354 2.503 20 0 GFADRO C[C@@H](CCc1ccc(F)cc1F)[NH2+]C[C@H](O)CS(=O)(=O)c1cccs1 ZINC000552063677 564675823 /nfs/dbraw/zinc/67/58/23/564675823.db2.gz IDXWZDDMRLAUFP-WFASDCNBSA-N 1 0 389.489 2.772 20 0 GFADRO CC[C@H]([NH2+]CC1CN(S(=O)(=O)CC)C1)c1ccc(OC(F)(F)F)cc1 ZINC000552066984 564675851 /nfs/dbraw/zinc/67/58/51/564675851.db2.gz XESJLBISEWVKPM-HNNXBMFYSA-N 1 0 380.432 2.907 20 0 GFADRO Cc1ccc(S(=O)(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)cc1Br ZINC000487136077 564677085 /nfs/dbraw/zinc/67/70/85/564677085.db2.gz JQZHRKSUGCHHPF-CHWSQXEVSA-N 1 0 375.332 2.909 20 0 GFADRO CC[NH+]1C[C@H](C)N(C(=O)Cc2ccc(I)cc2)[C@@H](C)C1 ZINC000574526272 564677315 /nfs/dbraw/zinc/67/73/15/564677315.db2.gz XTPVWBLQHMUHBX-STQMWFEESA-N 1 0 386.277 2.775 20 0 GFADRO CC[N@H+]1C[C@@H](C)N(C(=O)Cc2ccc(I)cc2)[C@@H](C)C1 ZINC000574526270 564677716 /nfs/dbraw/zinc/67/77/16/564677716.db2.gz XTPVWBLQHMUHBX-BETUJISGSA-N 1 0 386.277 2.775 20 0 GFADRO C[C@@H](CNC(=O)NCc1nc2c(cccc2Br)[nH]1)C[NH+]1CCCC1 ZINC000457891277 564678248 /nfs/dbraw/zinc/67/82/48/564678248.db2.gz WPHHEXGPMYGIDK-LBPRGKRZSA-N 1 0 394.317 2.857 20 0 GFADRO CC(=O)c1cc(Br)ccc1OCC(=O)N[C@@H](C)C[N@@H+](C)C(C)C ZINC000574563771 564679463 /nfs/dbraw/zinc/67/94/63/564679463.db2.gz PQQUDZMXFAXJLZ-LBPRGKRZSA-N 1 0 385.302 2.875 20 0 GFADRO C[C@@H](NC(=O)CCCS(=O)(=O)c1ccc(Cl)cc1)C1=CC[N@H+](C)CC1 ZINC000552153748 564679751 /nfs/dbraw/zinc/67/97/51/564679751.db2.gz FDORPNFVXVQRQE-CQSZACIVSA-N 1 0 384.929 2.661 20 0 GFADRO [NH3+]C[C@@H]1CC[C@H](NC(=O)[C@H](c2ccc(Br)cc2)N2CCCC2)C1 ZINC000574571300 564679898 /nfs/dbraw/zinc/67/98/98/564679898.db2.gz DTQVHXKCQCZBNI-COXVUDFISA-N 1 0 380.330 2.830 20 0 GFADRO Cc1c(C(=O)N(C)C2(C[NH3+])CCC2)cnn1-c1cccc(Br)c1 ZINC000574630744 564681708 /nfs/dbraw/zinc/68/17/08/564681708.db2.gz RZBKPYJZSYHKFD-UHFFFAOYSA-N 1 0 377.286 2.897 20 0 GFADRO C[C@H]1C[NH2+]CC[C@@H]1NS(=O)(=O)c1ccc2ccccc2c1Br ZINC000574637602 564682877 /nfs/dbraw/zinc/68/28/77/564682877.db2.gz FONVXIXEANQSFS-FZMZJTMJSA-N 1 0 383.311 2.879 20 0 GFADRO C[C@@H](CNC(=O)[C@H](c1ccc(Br)cc1)N1CCCC1)C[NH+](C)C ZINC000552239852 564682987 /nfs/dbraw/zinc/68/29/87/564682987.db2.gz VTCIVRFSDKTLNT-YOEHRIQHSA-N 1 0 382.346 2.900 20 0 GFADRO CCOc1c(Br)cc(C(=O)NCC[N@@H+]2CC[C@H](C)C2)cc1OC ZINC000524720163 564686336 /nfs/dbraw/zinc/68/63/36/564686336.db2.gz ZSPBBJSCDKMHDV-LBPRGKRZSA-N 1 0 385.302 2.928 20 0 GFADRO C[C@@H]1CC[N@H+](CCNC(=O)[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C1 ZINC000524720026 564686628 /nfs/dbraw/zinc/68/66/28/564686628.db2.gz VCVHCSYINXGSDC-TZMCWYRMSA-N 1 0 384.307 2.804 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)N(CCO)Cc2cccc(Br)c2)C1 ZINC000487411732 564686860 /nfs/dbraw/zinc/68/68/60/564686860.db2.gz PRIWTLYPNGJKGJ-DLBZAZTESA-N 1 0 398.345 2.826 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)NC(C)(C)C[NH+](C)C ZINC000458118563 564689136 /nfs/dbraw/zinc/68/91/36/564689136.db2.gz VLKRZGWRSUEFJX-UHFFFAOYSA-N 1 0 399.333 2.726 20 0 GFADRO C[C@H](CNC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1)Oc1ccccc1Br ZINC000574974690 564690155 /nfs/dbraw/zinc/69/01/55/564690155.db2.gz JRBGXLLOKYNNKH-TZMCWYRMSA-N 1 0 382.302 2.752 20 0 GFADRO C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000458157979 564692028 /nfs/dbraw/zinc/69/20/28/564692028.db2.gz CWNYAGROOKSOTG-STQMWFEESA-N 1 0 386.323 2.960 20 0 GFADRO CC[NH+](CC)CCN(C(=O)c1nnn(C)c1C)c1cccc(Br)c1 ZINC000525026143 564692128 /nfs/dbraw/zinc/69/21/28/564692128.db2.gz QHEWSAFMCLVJEW-UHFFFAOYSA-N 1 0 394.317 2.875 20 0 GFADRO COCCN(Cc1ccc(Br)s1)C(=O)[C@@H]1C[N@H+](C)C[C@H]1C ZINC000487617846 564692874 /nfs/dbraw/zinc/69/28/74/564692874.db2.gz NORLZEZRZQENMY-DGCLKSJQSA-N 1 0 375.332 2.683 20 0 GFADRO COCCN(Cc1ccc(Br)s1)C(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC000487617848 564692923 /nfs/dbraw/zinc/69/29/23/564692923.db2.gz NORLZEZRZQENMY-YPMHNXCESA-N 1 0 375.332 2.683 20 0 GFADRO C[C@@](O)(C[NH2+]Cc1csc(-c2ccc(Cl)cc2)n1)CN1CCOCC1 ZINC000525182053 564694523 /nfs/dbraw/zinc/69/45/23/564694523.db2.gz VDMIZCJOKGFYKA-GOSISDBHSA-N 1 0 381.929 2.636 20 0 GFADRO CC[C@H](C)[N@H+](C)CCNC(=O)NCc1nc2c(cccc2Br)[nH]1 ZINC000458238046 564695478 /nfs/dbraw/zinc/69/54/78/564695478.db2.gz LKTXIJITPDHOBC-NSHDSACASA-N 1 0 382.306 2.855 20 0 GFADRO C[C@H](CNC(=O)[C@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl)C[NH+](C)C ZINC000552578329 564695496 /nfs/dbraw/zinc/69/54/96/564695496.db2.gz DQIIALLBWWYOMM-MLGOLLRUSA-N 1 0 386.323 2.912 20 0 GFADRO COCCC[N@H+](C)CCNC(=O)N[C@@H]1C[C@@H]1c1cccc(Br)c1 ZINC000525255434 564696297 /nfs/dbraw/zinc/69/62/97/564696297.db2.gz GWJJDFJZIHBPSL-HZPDHXFCSA-N 1 0 384.318 2.573 20 0 GFADRO CSC1(CNC(=O)COc2ccccc2Br)CC[NH+](C)CC1 ZINC000575374328 564697793 /nfs/dbraw/zinc/69/77/93/564697793.db2.gz FHOVANSJGSWBKQ-UHFFFAOYSA-N 1 0 387.343 2.772 20 0 GFADRO [NH3+]CCC1CCN(C(=O)c2ccc(-n3cc(Br)cn3)cc2)CC1 ZINC000575418931 564698209 /nfs/dbraw/zinc/69/82/09/564698209.db2.gz NOPQAHSEUYZCID-UHFFFAOYSA-N 1 0 377.286 2.836 20 0 GFADRO C[NH+](C)CC(C)(C)NC(=O)N[C@@H]1CCN(c2ccccc2Br)C1 ZINC000458366649 564700005 /nfs/dbraw/zinc/70/00/05/564700005.db2.gz LMGOXUFXJCFBTA-CYBMUJFWSA-N 1 0 383.334 2.667 20 0 GFADRO C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCCc1ccc(I)s1 ZINC000525477008 564701577 /nfs/dbraw/zinc/70/15/77/564701577.db2.gz PHUTVJLQOIHTQW-QWRGUYRKSA-N 1 0 392.306 2.884 20 0 GFADRO C[NH+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CC(=O)Nc2ccc(Br)cc21 ZINC000575744078 564703248 /nfs/dbraw/zinc/70/32/48/564703248.db2.gz YBJMHCZAESBJJL-ZFWWWQNUSA-N 1 0 394.313 2.818 20 0 GFADRO COC(=O)c1ccc(S(=O)(=O)NCC[N@H+]2[C@H](C)CCC[C@@H]2C)c(Cl)c1 ZINC000552883105 564703271 /nfs/dbraw/zinc/70/32/71/564703271.db2.gz PHJVOZAATLZZLJ-BETUJISGSA-N 1 0 388.917 2.668 20 0 GFADRO CCC[N@H+](CC)CCNC(=O)NCc1nc2c(cccc2Br)[nH]1 ZINC000458512837 564704117 /nfs/dbraw/zinc/70/41/17/564704117.db2.gz ZPYIIUPBBTZFQR-UHFFFAOYSA-N 1 0 382.306 2.857 20 0 GFADRO C[C@@H]1CC[N@H+](CCNC(=O)[C@@]23CCC(=O)N2c2cc(Cl)ccc2S3)C1 ZINC000525805108 564709624 /nfs/dbraw/zinc/70/96/24/564709624.db2.gz PHPLKTJQPNAPFO-XIKOKIGWSA-N 1 0 379.913 2.727 20 0 GFADRO Cc1cc(Br)cn2cc(CNC(=O)NC[C@H]3CC[C@@H](C)O3)nc12 ZINC000458648522 564709884 /nfs/dbraw/zinc/70/98/84/564709884.db2.gz HQEDPZWAWWPRGV-BXUZGUMPSA-N 1 0 381.274 2.772 20 0 GFADRO OC[C@@H](C[NH2+]C[C@H](O)COc1ccc(Br)cc1)Cc1ccccc1 ZINC000576279904 564711091 /nfs/dbraw/zinc/71/10/91/564711091.db2.gz KDMGUSIKXBOAAP-AEFFLSMTSA-N 1 0 394.309 2.630 20 0 GFADRO CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCc1ccc(I)c(Cl)c1 ZINC000576344499 564712991 /nfs/dbraw/zinc/71/29/91/564712991.db2.gz SYXFDTFEPKZMCN-MFKMUULPSA-N 1 0 392.668 2.949 20 0 GFADRO O=C(NC[C@@H]1CCC[N@H+]1CCCO)N[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000458718806 564715012 /nfs/dbraw/zinc/71/50/12/564715012.db2.gz BUBIGWOHDUZPAY-GRDNDAEWSA-N 1 0 386.323 2.995 20 0 GFADRO CC[NH+]1CCC(CNc2ncnc3ccc(I)cc32)CC1 ZINC000576679641 564717611 /nfs/dbraw/zinc/71/76/11/564717611.db2.gz DWKJGTLUAAXHIA-UHFFFAOYSA-N 1 0 396.276 3.378 20 0 GFADRO CC(C)Cc1ncnc(NCC[NH2+]C(C)(C)C)c1I ZINC000553376081 564718318 /nfs/dbraw/zinc/71/83/18/564718318.db2.gz ADWHDPJIMHCXPY-UHFFFAOYSA-N 1 0 376.286 3.080 20 0 GFADRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(c2ncc(I)cn2)C1 ZINC000576798902 564718682 /nfs/dbraw/zinc/71/86/82/564718682.db2.gz SSTUUPPDBBAYMX-MBNYWOFBSA-N 1 0 386.281 2.923 20 0 GFADRO C[C@@H]1[C@@H](CO)CC[N@@H+]1C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000488772203 564720209 /nfs/dbraw/zinc/72/02/09/564720209.db2.gz TUFCUBAKEKIBMM-NQBHXWOUSA-N 1 0 378.694 2.545 20 0 GFADRO O=C(NCC[C@@H]1CC[NH2+]C1)[C@@H](c1ccc(Br)cc1)N1CCCC1 ZINC000576941688 564721927 /nfs/dbraw/zinc/72/19/27/564721927.db2.gz OFELFFOEYATYPA-WMLDXEAASA-N 1 0 380.330 2.702 20 0 GFADRO CO[C@@H]1CCN(C(=O)CCC(=O)c2cc(Cl)sc2Cl)[C@@H](C[NH3+])C1 ZINC000576988826 564722131 /nfs/dbraw/zinc/72/21/31/564722131.db2.gz DDKZUHIKEZRAPH-NXEZZACHSA-N 1 0 379.309 2.983 20 0 GFADRO C[C@@H](Oc1ccc(Cl)c(Cl)c1)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000488854602 564722233 /nfs/dbraw/zinc/72/22/33/564722233.db2.gz NHZDKBZPYZZCHY-KGLIPLIRSA-N 1 0 387.307 2.941 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1cc(Br)cc2cccnc21 ZINC000553497619 564723159 /nfs/dbraw/zinc/72/31/59/564723159.db2.gz BVPUIAMVNKGEEI-CQSZACIVSA-N 1 0 398.326 2.760 20 0 GFADRO O=S(=O)(NCC[NH+]1CCCCCC1)c1cc(Br)c(F)cc1F ZINC000488882181 564723650 /nfs/dbraw/zinc/72/36/50/564723650.db2.gz BOTXZRVSOLUVRB-UHFFFAOYSA-N 1 0 397.285 2.882 20 0 GFADRO C[C@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1cc(Br)c(F)cc1F ZINC000488888163 564723680 /nfs/dbraw/zinc/72/36/80/564723680.db2.gz FWUOPXYFYTVQLJ-JTQLQIEISA-N 1 0 397.285 2.880 20 0 GFADRO Cc1nc(CNC(=O)N(C)[C@H]2CC[N@@H+](C(C)C)C2)sc1Br ZINC000458935839 564725023 /nfs/dbraw/zinc/72/50/23/564725023.db2.gz WGQRKLONJBSBOQ-NSHDSACASA-N 1 0 375.336 2.838 20 0 GFADRO C[NH+](C)CCCNS(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCCCO1 ZINC000489057832 564727850 /nfs/dbraw/zinc/72/78/50/564727850.db2.gz KIZHGYSBCKTILB-OAHLLOKOSA-N 1 0 390.933 2.518 20 0 GFADRO OC[C@@H]([NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1)C1CCCCC1 ZINC000527136012 564731978 /nfs/dbraw/zinc/73/19/78/564731978.db2.gz OYZYXYWWPBCQJJ-NVXWUHKLSA-N 1 0 390.293 2.859 20 0 GFADRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2S(=O)(=O)Cc2ccccc2Br)C1 ZINC000577284190 564732775 /nfs/dbraw/zinc/73/27/75/564732775.db2.gz NBBBUPDIIMXSLR-CZUORRHYSA-N 1 0 387.343 2.695 20 0 GFADRO C[C@H]1C[C@@H]1[N@@H+]1CCN(C(=O)c2[nH]nc(C3CC3)c2Br)C[C@@H](C)C1 ZINC000553785060 564735764 /nfs/dbraw/zinc/73/57/64/564735764.db2.gz SYYRPPCBZUJOTP-GVXVVHGQSA-N 1 0 381.318 2.852 20 0 GFADRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)NCCOc2cccc(Br)c2)C1 ZINC000489336658 564736264 /nfs/dbraw/zinc/73/62/64/564736264.db2.gz ZRESUXQYMIIHRK-GJZGRUSLSA-N 1 0 384.318 3.000 20 0 GFADRO CC(C)C[NH+]1CCN(C(=O)NCc2nc3c(cccc3Br)[nH]2)CC1 ZINC000459203869 564736511 /nfs/dbraw/zinc/73/65/11/564736511.db2.gz JKJNKOLUTSOEOS-UHFFFAOYSA-N 1 0 394.317 2.809 20 0 GFADRO CC[NH2+]CCCNC(=O)NCc1ccc(Cl)cc1I ZINC000578052929 564740386 /nfs/dbraw/zinc/74/03/86/564740386.db2.gz NAUREFKTSRBVBL-UHFFFAOYSA-N 1 0 395.672 2.743 20 0 GFADRO CCn1nncc1CN1CCC(C(=O)Nc2cccc(Br)c2)CC1 ZINC000459374000 564741059 /nfs/dbraw/zinc/74/10/59/564741059.db2.gz SILBRVWBZNCWFT-UHFFFAOYSA-N 1 0 392.301 2.911 20 0 GFADRO COCCO[C@@H]1C[C@H](CO)CN(Cc2cc(Cl)cc(Br)c2)C1 ZINC000459430331 564745243 /nfs/dbraw/zinc/74/52/43/564745243.db2.gz QIIFMMOUWANZRQ-XJKSGUPXSA-N 1 0 392.721 2.948 20 0 GFADRO C[NH+]1CCC([C@H]2CCN(C(=O)Cc3ccc(Br)cc3O)C2)CC1 ZINC000489734848 564750801 /nfs/dbraw/zinc/75/08/01/564750801.db2.gz ABGYJTKGWSTBNT-HNNXBMFYSA-N 1 0 381.314 2.888 20 0 GFADRO O[C@H](C[NH2+][C@@H]1CCO[C@@H](C(F)(F)F)C1)COc1ccccc1Br ZINC000554108666 564751422 /nfs/dbraw/zinc/75/14/22/564751422.db2.gz GLXCIZVQVFUPDH-JTNHKYCSSA-N 1 0 398.219 2.888 20 0 GFADRO C[C@H](NC(=O)N[C@H]1CCC[NH2+]C1)c1nc(-c2ccc(Br)cc2)no1 ZINC000579815601 564751884 /nfs/dbraw/zinc/75/18/84/564751884.db2.gz PJQZXGLQIOXHGQ-GWCFXTLKSA-N 1 0 394.273 2.611 20 0 GFADRO Brc1sccc1C[NH2+]CCCN1CCN(c2ncccn2)CC1 ZINC000527636347 564751885 /nfs/dbraw/zinc/75/18/85/564751885.db2.gz MMJHHJIXGYPWKP-UHFFFAOYSA-N 1 0 396.358 2.603 20 0 GFADRO CCS(=O)(=O)N1CCC([NH2+]Cc2cc(OC)cc(C(F)(F)F)c2)CC1 ZINC000527635299 564752136 /nfs/dbraw/zinc/75/21/36/564752136.db2.gz ASFFDWHEXUKEMU-UHFFFAOYSA-N 1 0 380.432 2.618 20 0 GFADRO C[C@@H](Cc1ccccc1C(F)(F)F)[N@H+](C)C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000554275407 564755571 /nfs/dbraw/zinc/75/55/71/564755571.db2.gz UBPZIQCLTJXVMP-UONOGXRCSA-N 1 0 378.460 2.850 20 0 GFADRO O[C@H](C[NH2+]Cc1nc(-c2cc(Cl)ccc2Cl)cs1)Cn1ccnn1 ZINC000459687790 564756627 /nfs/dbraw/zinc/75/66/27/564756627.db2.gz BOKQCPUSHWHXOW-LLVKDONJSA-N 1 0 384.292 2.859 20 0 GFADRO C[C@@H]1CN(C2CC2)C[C@H]1[NH2+]C[C@@H](CO)Cc1cc(F)cc(Br)c1 ZINC000459685664 564756783 /nfs/dbraw/zinc/75/67/83/564756783.db2.gz AZJFEZQEMRGWAQ-UVBSCNOISA-N 1 0 385.321 2.812 20 0 GFADRO Cc1nc(-c2cccc(NC(=O)C[NH2+]C3(CO)CCSCC3)c2)cs1 ZINC000459708210 564757611 /nfs/dbraw/zinc/75/76/11/564757611.db2.gz XHAFYOGOKCXPMN-UHFFFAOYSA-N 1 0 377.535 2.905 20 0 GFADRO C[C@H](N1CCN(C(=O)NC[C@H](c2ccsc2)[NH+](C)C)CC1)C(F)(F)F ZINC000489906181 564757719 /nfs/dbraw/zinc/75/77/19/564757719.db2.gz BNPOQBQUCWKOAE-GXTWGEPZSA-N 1 0 378.464 2.629 20 0 GFADRO CC(C)Sc1cc(Br)ccc1C[NH2+]C[C@@H](O)Cn1ccnn1 ZINC000459708198 564757897 /nfs/dbraw/zinc/75/78/97/564757897.db2.gz XFHAINLNYYVHCB-CQSZACIVSA-N 1 0 385.331 2.692 20 0 GFADRO OC[C@H](C[NH2+]Cc1cnc2cnccn12)Cc1cc(F)cc(Br)c1 ZINC000459705206 564757989 /nfs/dbraw/zinc/75/79/89/564757989.db2.gz QJNAJYHVUACHPR-ZDUSSCGKSA-N 1 0 393.260 2.572 20 0 GFADRO OC[C@@]1(O)CCC[N@H+](Cc2cnc(-c3ccc(Br)cc3)s2)C1 ZINC000459721586 564758451 /nfs/dbraw/zinc/75/84/51/564758451.db2.gz OSURZYVSVWBOBV-MRXNPFEDSA-N 1 0 383.311 2.892 20 0 GFADRO CN1C2(CCC2)COC[C@@]1(CO)C[NH2+]Cc1cnc(-c2cccs2)s1 ZINC000527756258 564759275 /nfs/dbraw/zinc/75/92/75/564759275.db2.gz YOBYYRZCUNDNPH-SFHVURJKSA-N 1 0 379.551 2.577 20 0 GFADRO COc1ccc([C@H](CO)C[NH2+]Cc2cn3ccc(Br)cc3n2)cc1 ZINC000459750438 564760230 /nfs/dbraw/zinc/76/02/30/564760230.db2.gz PRVXUJIYOUXAFR-AWEZNQCLSA-N 1 0 390.281 2.971 20 0 GFADRO COCCCn1nccc1C[NH2+][C@@H]1CCO[C@H]1c1cncc(Br)c1 ZINC000459764818 564761124 /nfs/dbraw/zinc/76/11/24/564761124.db2.gz NSVMZBIFBFUCJY-SJORKVTESA-N 1 0 395.301 2.697 20 0 GFADRO CC[C@H](Cc1ccccc1Br)[NH2+]C[C@@H](O)CN1C[C@@H](C)O[C@@H](C)C1 ZINC000580543679 564762870 /nfs/dbraw/zinc/76/28/70/564762870.db2.gz NOXAYLWJBVWCKV-CYGHRXIMSA-N 1 0 399.373 2.830 20 0 GFADRO C[C@@H](NC(=O)C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2)c1cc(Cl)ccc1Cl ZINC000580541080 564763184 /nfs/dbraw/zinc/76/31/84/564763184.db2.gz STCRLWRDMLRVBJ-XIKOKIGWSA-N 1 0 384.307 2.773 20 0 GFADRO C[C@@H]([NH2+]CCC(=O)N1CCOCC1)c1cc(F)c(Br)cc1F ZINC000527849831 564763530 /nfs/dbraw/zinc/76/35/30/564763530.db2.gz IQMRAOVYRTYOCH-SNVBAGLBSA-N 1 0 377.229 2.627 20 0 GFADRO O=C(CN1CCC(CO)([NH2+]CC2CC2)CC1)Nc1c(Cl)cccc1Cl ZINC000580556245 564764218 /nfs/dbraw/zinc/76/42/18/564764218.db2.gz IWPSOLIMGLTPFH-UHFFFAOYSA-N 1 0 386.323 2.758 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)N[C@@H]1COc2cc(F)c(Br)cc21 ZINC000554532294 564764713 /nfs/dbraw/zinc/76/47/13/564764713.db2.gz XZEHLMKKERHXFJ-YMTOWFKASA-N 1 0 384.249 2.558 20 0 GFADRO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N(C)Cc2c(Cl)cccc2Cl)C1 ZINC000459919464 564765296 /nfs/dbraw/zinc/76/52/96/564765296.db2.gz MEGWQFQWBDKZKN-CYBMUJFWSA-N 1 0 386.323 2.895 20 0 GFADRO CN(Cc1c(Cl)cccc1Cl)C(=O)C(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000459964671 564766209 /nfs/dbraw/zinc/76/62/09/564766209.db2.gz URZDSVVBDSELCU-ZDUSSCGKSA-N 1 0 386.323 2.752 20 0 GFADRO CS(=O)(=O)[C@@H]1CCCC[C@H]1[NH2+]CCc1cnc(SC2CCCC2)nc1 ZINC000580633480 564767507 /nfs/dbraw/zinc/76/75/07/564767507.db2.gz MFPQWJCCTWHCEZ-IAGOWNOFSA-N 1 0 383.583 2.999 20 0 GFADRO O=S(=O)(N[C@@H]1CC[NH2+]C12CCC2)c1cccc(Cl)c1Br ZINC000528050917 564767965 /nfs/dbraw/zinc/76/79/65/564767965.db2.gz GRHUTLLMPRMFPL-LLVKDONJSA-N 1 0 379.707 2.665 20 0 GFADRO CCOc1cc(C[NH2+][C@H](CO)C2CCOCC2)cc(Br)c1OC ZINC000554644533 564768750 /nfs/dbraw/zinc/76/87/50/564768750.db2.gz QPESUBWYMZUNAR-OAHLLOKOSA-N 1 0 388.302 2.734 20 0 GFADRO CCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@@H](C)[N@H+](CC)C[C@H]1C ZINC000460300914 564774125 /nfs/dbraw/zinc/77/41/25/564774125.db2.gz HYTRRUUYGYOSCT-VXGBXAGGSA-N 1 0 381.322 2.975 20 0 GFADRO CCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@H](C)[N@H+](CC)C[C@H]1C ZINC000460300911 564774227 /nfs/dbraw/zinc/77/42/27/564774227.db2.gz HYTRRUUYGYOSCT-NWDGAFQWSA-N 1 0 381.322 2.975 20 0 GFADRO CS[C@H]1CN(Cc2csc(N(C(C)=O)C3CC3)n2)C[C@H]1[NH+]1CCCC1 ZINC000460359069 564775078 /nfs/dbraw/zinc/77/50/78/564775078.db2.gz ZCPZBEWQYPNFHG-SJORKVTESA-N 1 0 380.583 2.670 20 0 GFADRO Cc1cnn([C@H]2CC[N@H+](C[C@@H](O)COc3cc(F)cc(Br)c3)C2)c1 ZINC000554958614 564778986 /nfs/dbraw/zinc/77/89/86/564778986.db2.gz PGAKVKIRMLVSQQ-JKSUJKDBSA-N 1 0 398.276 2.780 20 0 GFADRO O=C([C@H]1Cc2ccccc2C[NH2+]1)N1CCC(n2cc(Br)cn2)CC1 ZINC000490633029 564778999 /nfs/dbraw/zinc/77/89/99/564778999.db2.gz SZFYZJXDDSODPK-QGZVFWFLSA-N 1 0 389.297 2.524 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+]CCCc2cccs2)cc1Br ZINC000580939479 564780613 /nfs/dbraw/zinc/78/06/13/564780613.db2.gz IXNZFFZSGZFMPB-UHFFFAOYSA-N 1 0 389.340 2.880 20 0 GFADRO CC[NH+](CC)CC[C@@H](CO)NC(=O)c1c(C)ccc(Br)c1OC ZINC000580963354 564781562 /nfs/dbraw/zinc/78/15/62/564781562.db2.gz YTKYCNYQWDSYGA-ZDUSSCGKSA-N 1 0 387.318 2.589 20 0 GFADRO [NH3+]CC[C@@H]1CCCCN1C(=O)c1ncc(Br)cc1Br ZINC000580946972 564781596 /nfs/dbraw/zinc/78/15/96/564781596.db2.gz QERNADYLXLVQNJ-JTQLQIEISA-N 1 0 391.107 2.950 20 0 GFADRO O=C(COC1CC[NH2+]CC1)N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000580946467 564781612 /nfs/dbraw/zinc/78/16/12/564781612.db2.gz AHOZKZNHRYRCCR-NSHDSACASA-N 1 0 377.432 2.637 20 0 GFADRO O[C@@H](C[NH+]1CCN(CCc2ccc(Cl)c(Cl)c2)CC1)CC1(O)CCC1 ZINC000528433702 564784372 /nfs/dbraw/zinc/78/43/72/564784372.db2.gz SRHMQXICJOVADR-MRXNPFEDSA-N 1 0 387.351 2.820 20 0 GFADRO C[C@@H]1CN(c2ncnc3cccc(I)c32)C[C@H](C)[N@H+]1C ZINC000555221108 564786317 /nfs/dbraw/zinc/78/63/17/564786317.db2.gz KNFQMFXOLAKNHP-PHIMTYICSA-N 1 0 382.249 2.763 20 0 GFADRO CSC1(CNC(=O)CN(C)c2nc3ccccc3s2)CC[NH+](C)CC1 ZINC000460964262 564786701 /nfs/dbraw/zinc/78/67/01/564786701.db2.gz NZTRSAMMUYPHTA-UHFFFAOYSA-N 1 0 378.567 2.676 20 0 GFADRO C[C@H](Oc1cccc(Br)c1)C(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000460995395 564787281 /nfs/dbraw/zinc/78/72/81/564787281.db2.gz VSHMHAHRZFQDEF-AWEZNQCLSA-N 1 0 399.329 2.786 20 0 GFADRO O[C@@H](c1ccc(Br)cc1)[C@H]1CCC[N@@H+](C[C@@H](O)CC2(O)CCC2)C1 ZINC000528501280 564789521 /nfs/dbraw/zinc/78/95/21/564789521.db2.gz BSROEXVFFZCHGQ-SZMVWBNQSA-N 1 0 398.341 2.861 20 0 GFADRO C[C@H](CCO)CC[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000581131496 564789928 /nfs/dbraw/zinc/78/99/28/564789928.db2.gz JOEVOPNAXRMRAH-WCQYABFASA-N 1 0 380.710 2.840 20 0 GFADRO C[C@]1(Br)C[C@H]1C(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000528528095 564790185 /nfs/dbraw/zinc/79/01/85/564790185.db2.gz RVBWSEZNAGMLPQ-WMZOPIPTSA-N 1 0 381.314 2.951 20 0 GFADRO OCC[C@@H]([NH2+]Cc1cn(-c2ccc(Cl)cc2Cl)nn1)C1CCOCC1 ZINC000461408842 564795748 /nfs/dbraw/zinc/79/57/48/564795748.db2.gz TYTWHQKYEURLDD-MRXNPFEDSA-N 1 0 385.295 2.841 20 0 GFADRO CCC[C@H]([NH2+]C(C)C)C(=O)NCC(=O)Nc1cc(Br)ccc1C ZINC000491892748 564796425 /nfs/dbraw/zinc/79/64/25/564796425.db2.gz SAISOQICZHAUPA-AWEZNQCLSA-N 1 0 384.318 2.979 20 0 GFADRO Cc1cccc(CC(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)c1Br ZINC000528602109 564796477 /nfs/dbraw/zinc/79/64/77/564796477.db2.gz ALRWAPYICOINAQ-HNNXBMFYSA-N 1 0 395.341 2.917 20 0 GFADRO O=C(C(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1)c1ccc(Br)cc1 ZINC000461420822 564796559 /nfs/dbraw/zinc/79/65/59/564796559.db2.gz BQECDSFENIZFOL-AWEZNQCLSA-N 1 0 379.298 2.966 20 0 GFADRO COCCN(Cc1scnc1C)C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000491957290 564797661 /nfs/dbraw/zinc/79/76/61/564797661.db2.gz OGUWPRVQGJKTHR-AWEZNQCLSA-N 1 0 382.555 2.974 20 0 GFADRO Cc1nc(NC(=O)C(=O)N[C@H](CC(C)C)C[NH+](C)C)sc1C(F)(F)F ZINC000581344321 564797978 /nfs/dbraw/zinc/79/79/78/564797978.db2.gz JYVDGHGXOZNCMA-SNVBAGLBSA-N 1 0 380.436 2.501 20 0 GFADRO O=C(C[N@H+]1CC2(CCOCC2)CC[C@@H]1CO)Nc1ccc(Br)cc1 ZINC000528640113 564799044 /nfs/dbraw/zinc/79/90/44/564799044.db2.gz NNDTZIQXDQHPJG-MRXNPFEDSA-N 1 0 397.313 2.641 20 0 GFADRO C[C@H](C[NH2+]C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1)S(C)(=O)=O ZINC000581365381 564799115 /nfs/dbraw/zinc/79/91/15/564799115.db2.gz QRGMKAFBTQBASX-GFCCVEGCSA-N 1 0 379.353 2.981 20 0 GFADRO [NH3+]CC1(NC(=O)Nc2cc(Cl)ccc2OCC(F)(F)F)CCOCC1 ZINC000528669143 564799473 /nfs/dbraw/zinc/79/94/73/564799473.db2.gz OOSQXTITDZIQPT-UHFFFAOYSA-N 1 0 381.782 2.911 20 0 GFADRO CC[NH+](CC)CCNC(=O)N[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000492195986 564799883 /nfs/dbraw/zinc/79/98/83/564799883.db2.gz XUZTUMYXUCARPB-HNNXBMFYSA-N 1 0 383.334 2.669 20 0 GFADRO Cc1nc(NC(=O)NC[C@@H]2COCC[NH2+]2)sc1Cc1cccc(Cl)c1 ZINC000528696898 564801520 /nfs/dbraw/zinc/80/15/20/564801520.db2.gz YIHIOCXNEPQLSZ-CQSZACIVSA-N 1 0 380.901 2.806 20 0 GFADRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)c2cc(O)cc(Br)c2)C1 ZINC000528745055 564802093 /nfs/dbraw/zinc/80/20/93/564802093.db2.gz NFNCZEKADVLVOI-INIZCTEOSA-N 1 0 385.302 2.728 20 0 GFADRO CC1([NH+]2CCOCC2)CCN(CC(=O)Nc2ccccc2Br)CC1 ZINC000528729356 564802877 /nfs/dbraw/zinc/80/28/77/564802877.db2.gz RRSNWSMWUDRJOM-UHFFFAOYSA-N 1 0 396.329 2.574 20 0 GFADRO C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[NH2+]CCS(=O)(=O)c1cccc(Br)c1 ZINC000528755755 564803827 /nfs/dbraw/zinc/80/38/27/564803827.db2.gz HYJGQURRXSJOQJ-NWJSVONSSA-N 1 0 376.316 2.624 20 0 GFADRO [NH3+]C[C@H]1CCCN(C(=O)Nc2ccc(I)cc2F)C1 ZINC000581500212 564805581 /nfs/dbraw/zinc/80/55/81/564805581.db2.gz JZZVJNGCWYYVDR-SECBINFHSA-N 1 0 377.201 2.633 20 0 GFADRO CN(C)[C@H](C[NH2+]C[C@H](O)COc1ccc(Br)cc1)c1ccco1 ZINC000555889226 564807682 /nfs/dbraw/zinc/80/76/82/564807682.db2.gz MMSOYXYMOWPPTC-GOEBONIOSA-N 1 0 383.286 2.674 20 0 GFADRO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)c2cccc(F)c2Br)CC1 ZINC000555951607 564809731 /nfs/dbraw/zinc/80/97/31/564809731.db2.gz APFMSFWQFTVWHV-AWEZNQCLSA-N 1 0 398.320 2.830 20 0 GFADRO CC[NH+](CC)CCS(=O)(=O)N(C)Cc1ccc(Br)cc1C ZINC000581696209 564814652 /nfs/dbraw/zinc/81/46/52/564814652.db2.gz YZROLVXHFBRLSY-UHFFFAOYSA-N 1 0 377.348 2.861 20 0 GFADRO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@H](c1ccccc1)N(C)C ZINC000556234210 564815418 /nfs/dbraw/zinc/81/54/18/564815418.db2.gz WEKOKTNZRFEENH-WMLDXEAASA-N 1 0 378.314 2.892 20 0 GFADRO O=S(=O)(CCc1ccccc1Br)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000462093455 564818870 /nfs/dbraw/zinc/81/88/70/564818870.db2.gz NDXFNJJUVYFOLJ-CVEARBPZSA-N 1 0 387.343 2.538 20 0 GFADRO COc1ccc(S(=O)(=O)N2CC[C@]3(C2)CCC[NH2+]C3)c(Cl)c1Cl ZINC000581824622 564818882 /nfs/dbraw/zinc/81/88/82/564818882.db2.gz RQUKHUMRXHLGCU-OAHLLOKOSA-N 1 0 379.309 2.766 20 0 GFADRO C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000581840276 564820094 /nfs/dbraw/zinc/82/00/94/564820094.db2.gz BUPIVYNBEHMSDJ-RWMBFGLXSA-N 1 0 384.307 2.807 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)c2ncc(Br)cc2Br)C1 ZINC000581883283 564821756 /nfs/dbraw/zinc/82/17/56/564821756.db2.gz VMJNNWLQFRUEQG-RKDXNWHRSA-N 1 0 391.107 2.806 20 0 GFADRO Cc1cccc(CNC(=O)[C@]2([NH3+])[C@H]3CCCO[C@H]3C2(C)C)c1Br ZINC000582001910 564826284 /nfs/dbraw/zinc/82/62/84/564826284.db2.gz SCNFHNYBAWFQAZ-JCKWVBRZSA-N 1 0 381.314 2.906 20 0 GFADRO CN(C)[C@H](C(=O)N1CCSC[C@H]1c1cnn(C)c1)c1ccc(Cl)cc1 ZINC000582011311 564826479 /nfs/dbraw/zinc/82/64/79/564826479.db2.gz XTGGEPBPWXFUIE-IRXDYDNUSA-N 1 0 378.929 2.993 20 0 GFADRO C[C@H](c1ccsc1)N1CCN(C(=O)NC[C@]2([NH+](C)C)CCSC2)CC1 ZINC000462202242 564826780 /nfs/dbraw/zinc/82/67/80/564826780.db2.gz GFCRXFVRBBAVSI-CRAIPNDOSA-N 1 0 382.599 2.574 20 0 GFADRO OC[C@@H]([NH2+]Cc1ncc(-c2ccc(Br)cc2)o1)C1CCOCC1 ZINC000582022828 564827383 /nfs/dbraw/zinc/82/73/83/564827383.db2.gz IQPPPNGCFPTLAS-OAHLLOKOSA-N 1 0 381.270 2.981 20 0 GFADRO Cc1cccc(CC(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)c1Br ZINC000529279003 564828600 /nfs/dbraw/zinc/82/86/00/564828600.db2.gz RIGNDTNTESBCKJ-INIZCTEOSA-N 1 0 395.341 2.871 20 0 GFADRO CC[NH+](CC)[C@H](C)CNC(=O)NCc1cc(Br)cc2c1OCC2 ZINC000462227409 564828623 /nfs/dbraw/zinc/82/86/23/564828623.db2.gz SJJCEMUEDRWATL-GFCCVEGCSA-N 1 0 384.318 2.914 20 0 GFADRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)Nc1ccncc1Br ZINC000462274227 564829842 /nfs/dbraw/zinc/82/98/42/564829842.db2.gz YIQZKIYKTZNDGT-GUYCJALGSA-N 1 0 389.297 2.908 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CN(C(=O)N[C@@H](C)c2cc(F)c(Br)cc2F)CCO1 ZINC000529347463 564830066 /nfs/dbraw/zinc/83/00/66/564830066.db2.gz DMAXAKXLECMQSZ-TVLCNXBWSA-N 1 0 392.244 2.546 20 0 GFADRO Cc1c(S(=O)(=O)N(C)CC[NH+]2CCCC2)cnn1-c1ccc(Cl)cc1 ZINC000462296516 564831723 /nfs/dbraw/zinc/83/17/23/564831723.db2.gz OOHDMDWXLKUERH-UHFFFAOYSA-N 1 0 382.917 2.550 20 0 GFADRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1Cc1cccc(I)c1 ZINC000556600762 564831920 /nfs/dbraw/zinc/83/19/20/564831920.db2.gz JFPODUNAXVJOSF-CYBMUJFWSA-N 1 0 388.293 2.568 20 0 GFADRO O=C(NC[C@@H]1COCC[NH2+]1)N1CCCC[C@@H]1Cc1ccccc1Br ZINC000529375077 564832234 /nfs/dbraw/zinc/83/22/34/564832234.db2.gz BRMYHYSXSRJLJJ-HZPDHXFCSA-N 1 0 396.329 2.544 20 0 GFADRO CC[N@@H+]1C[C@H](C)N(C(=O)Nc2cccc(C(=O)NC)c2Br)C[C@@H]1C ZINC000494504237 564832425 /nfs/dbraw/zinc/83/24/25/564832425.db2.gz QIASAQZYVUSBPV-RYUDHWBXSA-N 1 0 397.317 2.755 20 0 GFADRO CC[N@@H+]1C[C@H](C)N(C(=O)Nc2cccc(C(=O)NC)c2Br)C[C@H]1C ZINC000494504234 564832555 /nfs/dbraw/zinc/83/25/55/564832555.db2.gz QIASAQZYVUSBPV-NEPJUHHUSA-N 1 0 397.317 2.755 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2cc(Cl)cc(C(=O)OC)c2)C[C@@H]1C ZINC000462331961 564833756 /nfs/dbraw/zinc/83/37/56/564833756.db2.gz BLTSQXXVIKFYEN-SWLSCSKDSA-N 1 0 388.917 2.620 20 0 GFADRO Cc1ccsc1[C@H](CO)[NH2+]CC(=O)Nc1ccnn1Cc1cccs1 ZINC000494652765 564835986 /nfs/dbraw/zinc/83/59/86/564835986.db2.gz SOSPPZUFWOSWHK-AWEZNQCLSA-N 1 0 376.507 2.625 20 0 GFADRO C[C@H]1CN(C2CC2)C[C@H]1[NH2+]CCCNC(=O)c1cccc(Br)c1 ZINC000494631967 564836548 /nfs/dbraw/zinc/83/65/48/564836548.db2.gz KLDFUNOTZHKZNR-SUMWQHHRSA-N 1 0 380.330 2.641 20 0 GFADRO C[C@H]1[C@@H](C2CC2)[C@H]1C(=O)Nc1cc(N2CCOCC2)c(Br)cn1 ZINC000529472586 564837017 /nfs/dbraw/zinc/83/70/17/564837017.db2.gz NWJHAMUZCRWFSO-HNHYXYPQSA-N 1 0 380.286 2.911 20 0 GFADRO Cc1cc(I)ccc1NC(=O)C[NH2+][C@H](C)c1cn[nH]c1 ZINC000494697344 564837449 /nfs/dbraw/zinc/83/74/49/564837449.db2.gz CJXVODZVNOEUPL-SNVBAGLBSA-N 1 0 384.221 2.612 20 0 GFADRO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1CC/C=C\c1ccc(Br)cc1 ZINC000494701664 564837521 /nfs/dbraw/zinc/83/75/21/564837521.db2.gz GIVVXBQKXPKIJE-SVERHTFXSA-N 1 0 387.343 2.866 20 0 GFADRO Cc1ccc(S(=O)(=O)NCC[NH+]2CCCCCC2)cc1Br ZINC000462426783 564838797 /nfs/dbraw/zinc/83/87/97/564838797.db2.gz GGFDCFFKGKDYBA-UHFFFAOYSA-N 1 0 375.332 2.912 20 0 GFADRO C[C@@H]1CCC[N@H+](CCNS(=O)(=O)c2ccc(Br)c(F)c2)C1 ZINC000462443308 564839645 /nfs/dbraw/zinc/83/96/45/564839645.db2.gz XMCHMUBPHUNJFE-LLVKDONJSA-N 1 0 379.295 2.598 20 0 GFADRO C[N@H+](CCN1CCCC1=O)Cc1c[nH]nc1-c1ccc(Br)s1 ZINC000529528745 564839732 /nfs/dbraw/zinc/83/97/32/564839732.db2.gz UYVPIJXJIXJCLU-UHFFFAOYSA-N 1 0 383.315 2.955 20 0 GFADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000462440105 564840336 /nfs/dbraw/zinc/84/03/36/564840336.db2.gz JHJPXASYEMXJMF-OLZOCXBDSA-N 1 0 388.917 2.525 20 0 GFADRO Cc1cc(S(=O)(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)c(C)cc1Br ZINC000462486817 564842597 /nfs/dbraw/zinc/84/25/97/564842597.db2.gz SIDHFIOGYHCGNQ-CHWSQXEVSA-N 1 0 375.332 2.827 20 0 GFADRO COc1ccc(Br)cc1C[C@@H](CO)C[NH2+]Cc1ccc(F)cn1 ZINC000529594672 564844038 /nfs/dbraw/zinc/84/40/38/564844038.db2.gz FLMCAFWBKRTCQO-GFCCVEGCSA-N 1 0 383.261 2.933 20 0 GFADRO C[NH+](C)C[C@@H](CNC(=O)CNC(=O)c1ccsc1)c1ccc(Cl)cc1 ZINC000556850189 564843995 /nfs/dbraw/zinc/84/39/95/564843995.db2.gz ABEILGZFFDTVQM-OAHLLOKOSA-N 1 0 379.913 2.593 20 0 GFADRO CC1(C)NC(=O)CC[C@H]1[NH2+]C[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000494933312 564845176 /nfs/dbraw/zinc/84/51/76/564845176.db2.gz URNMUKVBYFWUIV-CZUORRHYSA-N 1 0 380.330 2.922 20 0 GFADRO CC1(C)Cc2c(cccc2Br)[C@@H]1NC(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000582410423 564845322 /nfs/dbraw/zinc/84/53/22/564845322.db2.gz FDOYDFQFTTVYEE-WBMJQRKESA-N 1 0 396.329 2.750 20 0 GFADRO Cc1cc(Cl)ccc1S(=O)(=O)NCC[NH2+][C@@H](C)c1cnc(C)nc1C ZINC000556923154 564846877 /nfs/dbraw/zinc/84/68/77/564846877.db2.gz BEXOWDIOOCMUMD-LBPRGKRZSA-N 1 0 382.917 2.684 20 0 GFADRO CN(CCC[N@H+](C)Cc1ccncc1)C(=O)c1cncc(Br)c1 ZINC000556933368 564847113 /nfs/dbraw/zinc/84/71/13/564847113.db2.gz LBDGHGXMSVSDDS-UHFFFAOYSA-N 1 0 377.286 2.833 20 0 GFADRO O=C(C[NH2+]CC1CC1)NCc1ccc(I)c(Cl)c1 ZINC000582485610 564848332 /nfs/dbraw/zinc/84/83/32/564848332.db2.gz VQFWWSSPBAQXLG-UHFFFAOYSA-N 1 0 378.641 2.560 20 0 GFADRO COc1ccc(CN2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)c(Br)c1O ZINC000556964136 564849041 /nfs/dbraw/zinc/84/90/41/564849041.db2.gz GEINHKPIZMBWKP-KBXCAEBGSA-N 1 0 399.329 2.882 20 0 GFADRO C[C@@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000495170178 564850597 /nfs/dbraw/zinc/85/05/97/564850597.db2.gz FPIPPZOHEQGASJ-KWAYOQMPSA-N 1 0 377.897 2.951 20 0 GFADRO [NH3+]C[C@@H]1CCCN(C(=O)[C@H](c2ccc(Br)cc2)N2CCCC2)C1 ZINC000582545630 564851114 /nfs/dbraw/zinc/85/11/14/564851114.db2.gz VWELJFHKGPOMDI-YOEHRIQHSA-N 1 0 380.330 2.783 20 0 GFADRO [NH3+]C[C@@H]1CCCN(C(=O)[C@@H](c2ccc(Br)cc2)N2CCCC2)C1 ZINC000582545629 564851401 /nfs/dbraw/zinc/85/14/01/564851401.db2.gz VWELJFHKGPOMDI-WMLDXEAASA-N 1 0 380.330 2.783 20 0 GFADRO CS[C@H]1CN(C(=O)c2cccc(OCc3cscn3)c2)C[C@H]1[NH+](C)C ZINC000495621746 564855595 /nfs/dbraw/zinc/85/55/95/564855595.db2.gz WEMZEHJIDFBBMM-SJORKVTESA-N 1 0 377.535 2.840 20 0 GFADRO COc1ccc(Br)cc1CC(=O)N1C[C@@H]([NH+](C)C)[C@@H](SC)C1 ZINC000495674345 564855904 /nfs/dbraw/zinc/85/59/04/564855904.db2.gz ZROXJRQXHYMSGY-HIFRSBDPSA-N 1 0 387.343 2.504 20 0 GFADRO COc1ccc(C(=O)N2CCC(C)([NH+]3CCOCC3)CC2)c(Br)c1 ZINC000529913564 564856833 /nfs/dbraw/zinc/85/68/33/564856833.db2.gz LLXFGLBZCAIFKN-UHFFFAOYSA-N 1 0 397.313 2.785 20 0 GFADRO O=C(NCc1cc(F)c(F)cc1Br)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000557196865 564857644 /nfs/dbraw/zinc/85/76/44/564857644.db2.gz GZOCOTOAKHOYOA-XHDPSFHLSA-N 1 0 388.256 2.915 20 0 GFADRO O=C(CCNC(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1)Nc1cc(Cl)cc(Cl)c1 ZINC000557231462 564858595 /nfs/dbraw/zinc/85/85/95/564858595.db2.gz JKCBUKJLGCTQDS-RYUDHWBXSA-N 1 0 385.295 2.573 20 0 GFADRO O=S(=O)(CC[NH2+][C@H]1CCCc2ccc(Cl)cc21)NC[C@H]1CCCCO1 ZINC000557269043 564859239 /nfs/dbraw/zinc/85/92/39/564859239.db2.gz UFHAWUYNZDYAPH-AEFFLSMTSA-N 1 0 386.945 2.796 20 0 GFADRO C[C@H](CC(=O)N(C)C)[NH2+][C@H](C)c1ccc(Br)cc1OCCCO ZINC000462947258 564864004 /nfs/dbraw/zinc/86/40/04/564864004.db2.gz QUIGHHDQGVCDRJ-CHWSQXEVSA-N 1 0 387.318 2.728 20 0 GFADRO Cc1cccnc1CC[NH2+]C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000582900265 564867088 /nfs/dbraw/zinc/86/70/88/564867088.db2.gz JFSVRUGBDNKUQT-HNNXBMFYSA-N 1 0 383.261 2.864 20 0 GFADRO CCO[C@@H]1C[C@@](CO)([NH2+]Cc2cccc(I)c2)C1(C)C ZINC000582908559 564867373 /nfs/dbraw/zinc/86/73/73/564867373.db2.gz WBSAGQLJVNZLIK-ZBFHGGJFSA-N 1 0 389.277 2.947 20 0 GFADRO C[C@@H](O)C[N@H+](C)C1CCN(Cc2nc3ccc(Br)cc3o2)CC1 ZINC000463084677 564868618 /nfs/dbraw/zinc/86/86/18/564868618.db2.gz OJEPABOKCOEIBU-GFCCVEGCSA-N 1 0 382.302 2.867 20 0 GFADRO CCCN(CC[NH+]1CCCCC1)C(=O)c1cc(I)c[nH]1 ZINC000557629435 564870792 /nfs/dbraw/zinc/87/07/92/564870792.db2.gz PNMBKUKKENGUOV-UHFFFAOYSA-N 1 0 389.281 2.957 20 0 GFADRO Cc1cc(N2CC[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C2=O)ccc1Br ZINC000463171601 564871683 /nfs/dbraw/zinc/87/16/83/564871683.db2.gz PTJJDOPDKTYSRT-HOTGVXAUSA-N 1 0 396.329 2.565 20 0 GFADRO COCCOc1c(Cl)cccc1NC(=O)N1C[C@@H](SC)[C@H]([NH+](C)C)C1 ZINC000497653305 564872893 /nfs/dbraw/zinc/87/28/93/564872893.db2.gz WBNUCLXEBQFBLS-HUUCEWRRSA-N 1 0 387.933 2.875 20 0 GFADRO Fc1ccc(I)c(F)c1CN[C@H]1CC[NH2+]C12CCC2 ZINC000530242796 564873028 /nfs/dbraw/zinc/87/30/28/564873028.db2.gz DIDMTFVQIIBUSR-LBPRGKRZSA-N 1 0 378.204 2.944 20 0 GFADRO CS(=O)(=O)c1ccc([C@H](O)C[NH2+][C@@H]2[C@@H]3Cc4cc(Cl)ccc4[C@@H]32)cc1 ZINC000530237840 564873347 /nfs/dbraw/zinc/87/33/47/564873347.db2.gz ZSASKGQQAUQCHB-AKHDSKFASA-N 1 0 377.893 2.705 20 0 GFADRO COCCC[N@H+](C)CCNC(=O)N[C@H]1C[C@H](c2ccc(Br)cc2)C1 ZINC000463299293 564875668 /nfs/dbraw/zinc/87/56/68/564875668.db2.gz IJHIDWVBSODWAJ-JCNLHEQBSA-N 1 0 398.345 2.963 20 0 GFADRO Cc1nn(C)c(C[NH2+]C[C@@]2(CO)C[C@H]2c2ccc(F)cc2)c1Br ZINC000583123664 564876576 /nfs/dbraw/zinc/87/65/76/564876576.db2.gz SBCANDCXBUCZNC-WMLDXEAASA-N 1 0 382.277 2.886 20 0 GFADRO CC[N@H+](CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1)CC(C)(C)C ZINC000463366735 564877375 /nfs/dbraw/zinc/87/73/75/564877375.db2.gz JFFABYADKZOUMI-UHFFFAOYSA-N 1 0 389.949 2.897 20 0 GFADRO CC1(C)Cc2c(cccc2Br)[C@@H]1NC(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000557825970 564878315 /nfs/dbraw/zinc/87/83/15/564878315.db2.gz CUKVCHYYWONWQY-IRXDYDNUSA-N 1 0 392.341 2.579 20 0 GFADRO CCn1c(CNC(=O)NC[C@@H]2CCC[N@@H+]2C)nc2cc(Br)ccc21 ZINC000583178698 564879240 /nfs/dbraw/zinc/87/92/40/564879240.db2.gz CGDNHWOAVKCOTD-ZDUSSCGKSA-N 1 0 394.317 2.712 20 0 GFADRO C[NH+]1CCC2(CCCN2S(=O)(=O)Cc2ccccc2Br)CC1 ZINC000557838995 564880254 /nfs/dbraw/zinc/88/02/54/564880254.db2.gz FUEWSEVAGBHTBY-UHFFFAOYSA-N 1 0 387.343 2.839 20 0 GFADRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1S(=O)(=O)c1ccc(F)c(Br)c1 ZINC000557854653 564882801 /nfs/dbraw/zinc/88/28/01/564882801.db2.gz YANYKKPSRAKMRP-IAQYHMDHSA-N 1 0 391.306 2.836 20 0 GFADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)NCC(F)(F)c1ccc(Cl)cc1 ZINC000557868881 564883805 /nfs/dbraw/zinc/88/38/05/564883805.db2.gz LCZUQONGJDOEJY-OAHLLOKOSA-N 1 0 375.847 2.842 20 0 GFADRO O=C([C@@H]1CCc2cncn2C1)N1CCc2c(Br)ccc(F)c2C1 ZINC000583265010 564883875 /nfs/dbraw/zinc/88/38/75/564883875.db2.gz CMIRGVDVRBXGQR-LLVKDONJSA-N 1 0 378.245 2.932 20 0 GFADRO CC[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(I)c(F)c2)C1 ZINC000498081213 564887724 /nfs/dbraw/zinc/88/77/24/564887724.db2.gz ORWDEEBSSNKVNS-NSHDSACASA-N 1 0 390.240 2.892 20 0 GFADRO CCCN1CCN(C(=O)C(=O)Nc2nc(-c3ccc(C)s3)cs2)CC1 ZINC000498070663 564888181 /nfs/dbraw/zinc/88/81/81/564888181.db2.gz IBIDRTYINJZGII-UHFFFAOYSA-N 1 0 378.523 2.673 20 0 GFADRO CCN(CC)S(=O)(=O)c1cc(NC(=O)N[C@@H](C)C[C@@H](C)[NH3+])ccc1Cl ZINC000583381527 564888746 /nfs/dbraw/zinc/88/87/46/564888746.db2.gz OMEAZJHHQCDXEN-NEPJUHHUSA-N 1 0 390.937 2.618 20 0 GFADRO CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)[C@@H]([NH3+])CC(F)F ZINC000498205100 564891736 /nfs/dbraw/zinc/89/17/36/564891736.db2.gz MGGQJOSIDIUGBR-JTQLQIEISA-N 1 0 387.736 2.738 20 0 GFADRO C[C@@]1([NH3+])CCCC[C@@H]1C(=O)NCCCNC(=O)c1cccc(Br)c1 ZINC000498207795 564891922 /nfs/dbraw/zinc/89/19/22/564891922.db2.gz KFVKCLZDLIBAEN-CRAIPNDOSA-N 1 0 396.329 2.593 20 0 GFADRO COCCN(C)C[C@@H](O)C[NH2+][C@H]1c2cccc(Br)c2CC1(C)C ZINC000583449027 564892000 /nfs/dbraw/zinc/89/20/00/564892000.db2.gz ZAVMYPJUVWRTES-GUYCJALGSA-N 1 0 385.346 2.601 20 0 GFADRO C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)[C@H]([NH3+])CC(F)F)CC1 ZINC000498217309 564892572 /nfs/dbraw/zinc/89/25/72/564892572.db2.gz RVHWFCAXVCUVCR-SMDDNHRTSA-N 1 0 390.272 2.637 20 0 GFADRO COCc1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1ccc(Br)c(F)c1)CC2 ZINC000583516153 564896126 /nfs/dbraw/zinc/89/61/26/564896126.db2.gz MVHCUGJYOYVNRX-CMPLNLGQSA-N 1 0 383.265 2.992 20 0 GFADRO O=C(NCc1n[nH]cc1Br)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000530816734 564896335 /nfs/dbraw/zinc/89/63/35/564896335.db2.gz LEWDDRWWIJQLCF-INIZCTEOSA-N 1 0 377.286 2.843 20 0 GFADRO COC[C@@H]([NH2+]CCNS(=O)(=O)c1ccc(Cl)cc1F)c1ccccc1 ZINC000558259116 564896868 /nfs/dbraw/zinc/89/68/68/564896868.db2.gz NEKDPRLFEOTIIT-MRXNPFEDSA-N 1 0 386.876 2.735 20 0 GFADRO CCOc1cc(C[NH2+][C@H](C)CC(N)=O)cc(Br)c1OC(F)F ZINC000498373902 564897904 /nfs/dbraw/zinc/89/79/04/564897904.db2.gz LNCFBPANFLCFJX-MRVPVSSYSA-N 1 0 381.217 2.803 20 0 GFADRO O=C(NCC[NH+]1CCCCC1)[C@@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1 ZINC000498460066 564899317 /nfs/dbraw/zinc/89/93/17/564899317.db2.gz YCYZBXZJGXIAEB-CYBMUJFWSA-N 1 0 384.307 2.948 20 0 GFADRO C[C@@H](CCO)C1(C[NH2+]C[C@H](O)COc2cccc(Br)c2)CCC1 ZINC000583631388 564900635 /nfs/dbraw/zinc/90/06/35/564900635.db2.gz VLQFRXOHJPOLGN-HOCLYGCPSA-N 1 0 386.330 2.967 20 0 GFADRO CC[N@@H+]1C[C@H](C)N(C(=O)c2csc(I)c2)C[C@H]1C ZINC000498554917 564901893 /nfs/dbraw/zinc/90/18/93/564901893.db2.gz IWPBXSBDSYFMIO-ZJUUUORDSA-N 1 0 378.279 2.907 20 0 GFADRO CC[N@@H+]1C[C@H](C)N(C(=O)Cc2cccc(I)c2)C[C@H]1C ZINC000498571188 564902867 /nfs/dbraw/zinc/90/28/67/564902867.db2.gz JOBHGHJHWLTBMT-OLZOCXBDSA-N 1 0 386.277 2.775 20 0 GFADRO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)NCc1n[nH]cc1Br ZINC000531190912 564903927 /nfs/dbraw/zinc/90/39/27/564903927.db2.gz YBAYPQVXQOIAKU-JSGCOSHPSA-N 1 0 386.338 2.872 20 0 GFADRO CC[NH+](CC)C[C@@H](C)NC(=O)NCc1cc2c(c(Br)c1)OCO2 ZINC000531246411 564904810 /nfs/dbraw/zinc/90/48/10/564904810.db2.gz SRXUIVGXGWZHSQ-LLVKDONJSA-N 1 0 386.290 2.707 20 0 GFADRO C[C@@H]1CC[N@H+](CCNC(=O)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)C1 ZINC000531283465 564905397 /nfs/dbraw/zinc/90/53/97/564905397.db2.gz LNECXZCQRGAIQV-SNVBAGLBSA-N 1 0 377.794 2.755 20 0 GFADRO COCC[C@@H](C)S(=O)(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000464403510 564905619 /nfs/dbraw/zinc/90/56/19/564905619.db2.gz NLTQPSIQRRTORT-OAHLLOKOSA-N 1 0 388.961 2.896 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)[C@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1)C1CC1 ZINC000498700981 564906393 /nfs/dbraw/zinc/90/63/93/564906393.db2.gz IGEKAPKIDSRURR-BLLLJJGKSA-N 1 0 384.307 2.803 20 0 GFADRO Cc1cc(N2CCC[C@H]([N@@H+]3CC[C@@H]([C@@H](C)O)C3)C2=O)ccc1Br ZINC000464490781 564908078 /nfs/dbraw/zinc/90/80/78/564908078.db2.gz OUBRPNIONASXDZ-CPUCHLNUSA-N 1 0 381.314 2.956 20 0 GFADRO Cc1cc(N2CCC[C@H]([N@@H+]3CC[C@@H](C)[C@H](O)C3)C2=O)ccc1Br ZINC000464492868 564908450 /nfs/dbraw/zinc/90/84/50/564908450.db2.gz DOLNBLMLWCSLMM-OAUYIBNBSA-N 1 0 381.314 2.956 20 0 GFADRO Cc1ccc(NCC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)c(Br)c1 ZINC000531387523 564909449 /nfs/dbraw/zinc/90/94/49/564909449.db2.gz PQOHKCWXUUQZAR-OAHLLOKOSA-N 1 0 398.345 2.642 20 0 GFADRO CC1=CC[N@H+](CCNC(=O)C(=O)N(C)Cc2c(Cl)cccc2Cl)CC1 ZINC000498868671 564910857 /nfs/dbraw/zinc/91/08/57/564910857.db2.gz SSEJWGWCDSWMHH-UHFFFAOYSA-N 1 0 384.307 2.720 20 0 GFADRO COC(=O)C[C@@]1([NH2+]Cc2cc(Br)cc3cccnc32)CCOC1 ZINC000464589906 564911278 /nfs/dbraw/zinc/91/12/78/564911278.db2.gz ACHVYENBRYFHIM-KRWDZBQOSA-N 1 0 379.254 2.809 20 0 GFADRO CC[NH2+]CCCNC(=O)N[C@@H](C)c1nc(-c2ccc(Br)cc2)no1 ZINC000583921272 564912515 /nfs/dbraw/zinc/91/25/15/564912515.db2.gz KBDHNNLMNSRFCJ-NSHDSACASA-N 1 0 396.289 2.859 20 0 GFADRO C[N@@H+]1CCC[C@@H](CNC(=O)C2CN(CC(F)(F)F)C2)[C@@H]1c1cccs1 ZINC000498915701 564913524 /nfs/dbraw/zinc/91/35/24/564913524.db2.gz BFWQNLQVNAUIQL-SWLSCSKDSA-N 1 0 375.460 2.741 20 0 GFADRO C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CC1(C(N)=O)CCCC1 ZINC000531711708 564918363 /nfs/dbraw/zinc/91/83/63/564918363.db2.gz QTZHINAPTFODSE-LBPRGKRZSA-N 1 0 382.302 2.802 20 0 GFADRO CCC[N@H+](CC)C[C@H](C)Nc1cnn(-c2ccccn2)c(=O)c1Br ZINC000558953108 564918742 /nfs/dbraw/zinc/91/87/42/564918742.db2.gz NTAUGLBYVLREDO-ZDUSSCGKSA-N 1 0 394.317 2.922 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)N1CCC([C@H](O)C(F)(F)F)CC1)c1cccs1 ZINC000531738976 564918947 /nfs/dbraw/zinc/91/89/47/564918947.db2.gz JOWYIQDIOSYRBM-JSGCOSHPSA-N 1 0 379.448 2.696 20 0 GFADRO C[NH+]1CCC(CCO)(NC(=O)[C@H]2C[C@@H]2c2cccc(Br)c2)CC1 ZINC000499127855 564919167 /nfs/dbraw/zinc/91/91/67/564919167.db2.gz SDSOZCHSTNUYCY-CVEARBPZSA-N 1 0 381.314 2.516 20 0 GFADRO CN(Cc1cc(Br)cs1)C(=O)C[N@@H+]1CCC[C@@H]2COCC[C@@H]21 ZINC000464862603 564919332 /nfs/dbraw/zinc/91/93/32/564919332.db2.gz XOTXXEGLGZLDMC-DOMZBBRYSA-N 1 0 387.343 2.970 20 0 GFADRO O=C(C[NH+]1C[C@H]2CCC[C@@H]2C1)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000464897300 564920679 /nfs/dbraw/zinc/92/06/79/564920679.db2.gz PJHMQBZWCGOONP-ZIAGYGMSSA-N 1 0 383.323 2.769 20 0 GFADRO C[NH+](C)C[C@@H]1CCCN1C(=O)c1cc(=O)[nH]c2ccc(Br)cc21 ZINC000464931731 564921411 /nfs/dbraw/zinc/92/14/11/564921411.db2.gz IDCFSIMOFYVGCJ-LBPRGKRZSA-N 1 0 378.270 2.869 20 0 GFADRO CCC[NH+](CCC)CCCC(=O)Nc1ccncc1I ZINC000531846907 564921817 /nfs/dbraw/zinc/92/18/17/564921817.db2.gz FESYBOROSKQBAW-UHFFFAOYSA-N 1 0 389.281 2.949 20 0 GFADRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)Nc1ccc(I)cc1F ZINC000584124373 564922100 /nfs/dbraw/zinc/92/21/00/564922100.db2.gz CQZKEELDXPMLIG-LDYMZIIASA-N 1 0 377.201 2.550 20 0 GFADRO C[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1)c1c(Cl)cccc1Cl ZINC000584164185 564923075 /nfs/dbraw/zinc/92/30/75/564923075.db2.gz IUROZKULPQTMFN-FRRDWIJNSA-N 1 0 386.323 2.812 20 0 GFADRO CC(=O)NCC[N@@H+](Cc1ccc(-c2cnn(C)c2)s1)C1CCSCC1 ZINC000559097578 564923313 /nfs/dbraw/zinc/92/33/13/564923313.db2.gz LNFWKBMXKZRBIX-UHFFFAOYSA-N 1 0 378.567 2.982 20 0 GFADRO C[C@H](CNC(=O)C(=O)Nc1ccc(Cl)cc1Br)[NH+]1CCCC1 ZINC000531929715 564925158 /nfs/dbraw/zinc/92/51/58/564925158.db2.gz OGDZCLUXCXFNDS-SNVBAGLBSA-N 1 0 388.693 2.642 20 0 GFADRO CCN(CC)C(=O)C[C@H](C)[NH2+]C[C@H](O)COc1cccc(Cl)c1Cl ZINC000531951019 564925218 /nfs/dbraw/zinc/92/52/18/564925218.db2.gz ZFJYWBSZGIOGOC-STQMWFEESA-N 1 0 377.312 2.970 20 0 GFADRO NC(=O)c1ncc(Br)cc1N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000584198031 564925355 /nfs/dbraw/zinc/92/53/55/564925355.db2.gz PGKSUNSSQZMXQG-CQSZACIVSA-N 1 0 375.270 2.629 20 0 GFADRO [NH3+]C[C@H]1CC[C@@H](C(=O)NCc2ccc(Br)cc2C(F)(F)F)O1 ZINC000584230213 564926189 /nfs/dbraw/zinc/92/61/89/564926189.db2.gz RKYRHMHEGBIOIX-PWSUYJOCSA-N 1 0 381.192 2.590 20 0 GFADRO CC(C)[N@@H+]1CC[C@H](CNC(=O)c2ccc(F)c(I)c2)C1 ZINC000532166078 564931495 /nfs/dbraw/zinc/93/14/95/564931495.db2.gz CLBBCDGZEQRUAI-LLVKDONJSA-N 1 0 390.240 2.890 20 0 GFADRO CC[N@@H+]1CCCN(C(=O)C(=O)N[C@H](C)c2cc(F)c(Cl)cc2Cl)CC1 ZINC000559409591 564931794 /nfs/dbraw/zinc/93/17/94/564931794.db2.gz MYOINTXMEYIZTF-LLVKDONJSA-N 1 0 390.286 2.864 20 0 GFADRO CCS[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000559394651 564931815 /nfs/dbraw/zinc/93/18/15/564931815.db2.gz YYEIMDDHRRDLMG-SOUVJXGZSA-N 1 0 383.583 2.648 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H]1CCN(c2ccccc2Br)C1 ZINC000465906517 564933777 /nfs/dbraw/zinc/93/37/77/564933777.db2.gz XTYXEEKHRICKMA-HUUCEWRRSA-N 1 0 395.345 2.811 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@H](C)Oc1ccc(Br)cc1 ZINC000466014606 564935194 /nfs/dbraw/zinc/93/51/94/564935194.db2.gz ZGAJYBWGEFVSBO-DZGCQCFKSA-N 1 0 384.318 3.000 20 0 GFADRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NCCc1cc(Br)ccc1F ZINC000466266550 564936970 /nfs/dbraw/zinc/93/69/70/564936970.db2.gz SSBCJFHMYXHSFJ-ZBEGNZNMSA-N 1 0 384.293 2.913 20 0 GFADRO C[C@H](CNC(=O)N1CC[NH+](CC2CC2)CC1)Oc1cccc(Br)c1 ZINC000466296585 564937695 /nfs/dbraw/zinc/93/76/95/564937695.db2.gz KBQZGBGVDRCEEK-CQSZACIVSA-N 1 0 396.329 2.954 20 0 GFADRO COc1cc(C[C@@H](CO)C[NH2+]Cc2cncc(Br)c2)cc(OC)c1 ZINC000466370553 564939157 /nfs/dbraw/zinc/93/91/57/564939157.db2.gz PQRAJQAJRZOTAN-OAHLLOKOSA-N 1 0 395.297 2.802 20 0 GFADRO C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)N(C)Cc2cc(Cl)cc(Cl)c2)C1 ZINC000559760168 564939901 /nfs/dbraw/zinc/93/99/01/564939901.db2.gz ZFMVAXAYKDFVMM-CYBMUJFWSA-N 1 0 386.323 2.800 20 0 GFADRO CN(CCC[NH+]1CCCC1)CC(=O)N(C)Cc1ccccc1Br ZINC000499911927 564940256 /nfs/dbraw/zinc/94/02/56/564940256.db2.gz OLFIBBBJRCROLY-UHFFFAOYSA-N 1 0 382.346 2.825 20 0 GFADRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)NCc1c(Cl)cccc1Cl ZINC000559800168 564940702 /nfs/dbraw/zinc/94/07/02/564940702.db2.gz DMIANVNNMSJOGQ-STQMWFEESA-N 1 0 386.323 2.846 20 0 GFADRO C[N@H+](Cc1cc(=O)n2cc(Br)ccc2n1)[C@@H](CO)c1ccccc1 ZINC000532558309 564940668 /nfs/dbraw/zinc/94/06/68/564940668.db2.gz KHGCQHNQYRMIMR-INIZCTEOSA-N 1 0 388.265 2.622 20 0 GFADRO C[C@@H]([NH2+]C[C@H](CO)Cc1ccccc1Br)C(C)(C)n1cncn1 ZINC000559901417 564941406 /nfs/dbraw/zinc/94/14/06/564941406.db2.gz TYJSKSGMKQZHAP-ZIAGYGMSSA-N 1 0 381.318 2.605 20 0 GFADRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N1CCc2cccc(Br)c2C1 ZINC000466755816 564947025 /nfs/dbraw/zinc/94/70/25/564947025.db2.gz QDTAWNKWFGHFCA-YVEFUNNKSA-N 1 0 378.314 3.000 20 0 GFADRO C[NH+](C)CCc1ccc(CNS(=O)(=O)c2ccc3ncsc3c2)cc1 ZINC000466849826 564948442 /nfs/dbraw/zinc/94/84/42/564948442.db2.gz UOQCVEXRVUZJHA-UHFFFAOYSA-N 1 0 375.519 2.879 20 0 GFADRO CC[C@H](C(=O)Nc1cnc(N2CCOCC2)c(Br)c1)[NH+](CC)CC ZINC000466886556 564949470 /nfs/dbraw/zinc/94/94/70/564949470.db2.gz ZOMQCEVHTLIEDL-OAHLLOKOSA-N 1 0 399.333 2.740 20 0 GFADRO CO[C@@H](C)C[N@H+](CC(=O)Nc1ccccc1I)C(C)C ZINC000532972983 564950720 /nfs/dbraw/zinc/95/07/20/564950720.db2.gz XTDIXPMGVLBSHV-LBPRGKRZSA-N 1 0 390.265 2.975 20 0 GFADRO O=c1cc(CN2CC[C@@H]([NH+]3CCCCC3)C2)nc2ccc(Br)cn12 ZINC000532959746 564950836 /nfs/dbraw/zinc/95/08/36/564950836.db2.gz MWNMULTULWUFMC-MRXNPFEDSA-N 1 0 391.313 2.517 20 0 GFADRO O[C@H](COCc1ccco1)C[NH+]1CCN(c2cccc(Br)c2)CC1 ZINC000560166974 564952742 /nfs/dbraw/zinc/95/27/42/564952742.db2.gz JXJZUIRFAAAEEZ-KRWDZBQOSA-N 1 0 395.297 2.742 20 0 GFADRO COC(=O)c1ccc(CNCCC[N@@H+]2CCCO[C@@H](C)C2)c(Br)c1 ZINC000560274549 564955430 /nfs/dbraw/zinc/95/54/30/564955430.db2.gz MFDBLYPJKGRULA-AWEZNQCLSA-N 1 0 399.329 2.826 20 0 GFADRO CS(=O)(=O)NC[C@H]1CCC[C@@H]1[NH2+]Cc1c[nH]nc1-c1ccc(Cl)cc1 ZINC000500530002 564956062 /nfs/dbraw/zinc/95/60/62/564956062.db2.gz OXCGYQAUYLFNQS-CJNGLKHVSA-N 1 0 382.917 2.538 20 0 GFADRO CS(=O)(=O)NC[C@@H]1CCC[C@H]1[NH2+]Cc1cc(Cl)ccc1OCC1CC1 ZINC000500507021 564956278 /nfs/dbraw/zinc/95/62/78/564956278.db2.gz GTPUWDKDNVNCOV-WMLDXEAASA-N 1 0 386.945 2.936 20 0 GFADRO CS(=O)(=O)NC[C@@H]1CCC[C@@H]1[NH2+]Cc1cc(Cl)ccc1Br ZINC000500512610 564956385 /nfs/dbraw/zinc/95/63/85/564956385.db2.gz KAVYAKCFFMOVCH-HZMBPMFUSA-N 1 0 395.750 2.910 20 0 GFADRO C[N@H+](CC[C@H]1CCCO1)C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000467146057 564956597 /nfs/dbraw/zinc/95/65/97/564956597.db2.gz BJBAGPRDGXAJSF-LSDHHAIUSA-N 1 0 376.266 2.829 20 0 GFADRO CS(=O)(=O)CCC[N@H+](Cc1cccc(Br)c1)C1CCOCC1 ZINC000467282848 564960084 /nfs/dbraw/zinc/96/00/84/564960084.db2.gz DPZJODRSOZQNLE-UHFFFAOYSA-N 1 0 390.343 2.865 20 0 GFADRO C[C@H](CNS(=O)(=O)N(C)Cc1c(F)cccc1Cl)[NH+]1CCC(C)CC1 ZINC000500687819 564960756 /nfs/dbraw/zinc/96/07/56/564960756.db2.gz NOUIGFRMJPCJIR-CQSZACIVSA-N 1 0 391.940 2.866 20 0 GFADRO COCC[C@H](CO)[NH2+][C@@H](C)CCc1ccc(I)cc1 ZINC000467445362 564963470 /nfs/dbraw/zinc/96/34/70/564963470.db2.gz AGGLWWRSNNAVLT-SWLSCSKDSA-N 1 0 377.266 2.599 20 0 GFADRO C[NH+]1CCN(C[C@H](NC(=O)c2cc(Br)co2)c2ccccc2)CC1 ZINC000560486516 564964611 /nfs/dbraw/zinc/96/46/11/564964611.db2.gz RWSFSRLNSUXILY-INIZCTEOSA-N 1 0 392.297 2.761 20 0 GFADRO CC[NH+]1CCC(N(C)C(=O)c2cccc(F)c2I)CC1 ZINC000533543819 564964895 /nfs/dbraw/zinc/96/48/95/564964895.db2.gz XGUQORIWKATZGS-UHFFFAOYSA-N 1 0 390.240 2.987 20 0 GFADRO CN(C)c1ccc(Br)c(S(=O)(=O)Nc2cc[nH+]c(N(C)C)c2)c1 ZINC000500881721 564965152 /nfs/dbraw/zinc/96/51/52/564965152.db2.gz ZWJPIKJZCUWCBB-UHFFFAOYSA-N 1 0 399.314 2.777 20 0 GFADRO C[C@H](c1ccccc1Br)N(C)C[C@@H](O)C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000533560296 564965938 /nfs/dbraw/zinc/96/59/38/564965938.db2.gz DKBOBUHXCQMKNO-KLHDSHLOSA-N 1 0 385.346 2.912 20 0 GFADRO C[C@H]1CN(C(=O)c2ccc(S(=O)(=O)c3ccccc3)s2)C[C@@H]1[NH+](C)C ZINC000467520019 564966725 /nfs/dbraw/zinc/96/67/25/564966725.db2.gz GTQZDMMKOOLAMF-ZFWWWQNUSA-N 1 0 378.519 2.603 20 0 GFADRO CCOc1c(Cl)cc(NC(=O)C(=O)N2CC[C@H](C[NH+](C)C)C2)cc1Cl ZINC000467585111 564967098 /nfs/dbraw/zinc/96/70/98/564967098.db2.gz YTHMOKOAZJCDBS-LLVKDONJSA-N 1 0 388.295 2.741 20 0 GFADRO Cc1ccc(Br)c(S(=O)(=O)NCC[NH2+]C2CC3(CCC3)C2)c1 ZINC000560612301 564970180 /nfs/dbraw/zinc/97/01/80/564970180.db2.gz GSGIBHQRFIZCQY-UHFFFAOYSA-N 1 0 387.343 2.958 20 0 GFADRO C[NH+](C)[C@@]1(CNC(=O)Cc2ccc(Br)c(F)c2)CCSC1 ZINC000501107474 564970624 /nfs/dbraw/zinc/97/06/24/564970624.db2.gz CMVCBHLNMQAMCZ-OAHLLOKOSA-N 1 0 375.307 2.684 20 0 GFADRO Cc1c(C(=O)NC[C@@H](C)C[NH+](C)C)cnn1-c1ccc(Br)cc1 ZINC000560707864 564972915 /nfs/dbraw/zinc/97/29/15/564972915.db2.gz ZYDICAWHBMDOHK-GFCCVEGCSA-N 1 0 379.302 2.871 20 0 GFADRO COc1ccc(Cl)cc1CS(=O)(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000467799194 564973171 /nfs/dbraw/zinc/97/31/71/564973171.db2.gz PTNIDYBFDCBYEA-OAHLLOKOSA-N 1 0 386.945 2.842 20 0 GFADRO O=C(NCCC[NH+]1CCC(O)CC1)c1cc(Br)cc2cccnc21 ZINC000533959352 564976284 /nfs/dbraw/zinc/97/62/84/564976284.db2.gz GHGFPFHDQABARM-UHFFFAOYSA-N 1 0 392.297 2.574 20 0 GFADRO Cc1cccc(CNC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)c1Br ZINC000468415670 564983235 /nfs/dbraw/zinc/98/32/35/564983235.db2.gz ARQLEBBUSARVCU-MRXNPFEDSA-N 1 0 398.345 2.914 20 0 GFADRO O=C1C[C@H]([C@@H]2CCCC[N@H+]2C[C@H](O)COc2c(Cl)cccc2Cl)CN1 ZINC000534279415 564984201 /nfs/dbraw/zinc/98/42/01/564984201.db2.gz TYXVTDDMRWSWCQ-XEZPLFJOSA-N 1 0 387.307 2.724 20 0 GFADRO CN(C)c1ncc(Br)cc1C(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC000468489281 564984958 /nfs/dbraw/zinc/98/49/58/564984958.db2.gz TVIOIWWFOJQUQX-AWEZNQCLSA-N 1 0 383.334 2.760 20 0 GFADRO C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)C1CN(CC(F)(F)F)C1 ZINC000501747556 564985754 /nfs/dbraw/zinc/98/57/54/564985754.db2.gz SBZCTLWESOAIAW-UHFFFAOYSA-N 1 0 377.838 2.724 20 0 GFADRO C[C@H]([C@H](C)[NH2+]Cc1cn(-c2cccc(Cl)c2Cl)nn1)N1CCOCC1 ZINC000534355550 564986936 /nfs/dbraw/zinc/98/69/36/564986936.db2.gz XZSACOIWQFPZGQ-QWHCGFSZSA-N 1 0 384.311 2.773 20 0 GFADRO C[C@]1(CNC(=O)N[C@@H]2CCN(c3cccc(Br)c3)C2)CCC[NH2+]C1 ZINC000561203207 564987653 /nfs/dbraw/zinc/98/76/53/564987653.db2.gz SLRZENAATIQZBH-QAPCUYQASA-N 1 0 395.345 2.717 20 0 GFADRO COCC[N@@H+]1CCC[C@@H]1CNCc1cn(-c2ccc(Cl)cc2Cl)nn1 ZINC000534467119 564989903 /nfs/dbraw/zinc/98/99/03/564989903.db2.gz ZFIRELBMOSTRMS-OAHLLOKOSA-N 1 0 384.311 2.775 20 0 GFADRO Cc1ccnc(NCc2cccnc2N2CC[NH+](C)CC2)c1Br ZINC000561332993 564991338 /nfs/dbraw/zinc/99/13/38/564991338.db2.gz LPOMTKLQHRPZQA-UHFFFAOYSA-N 1 0 376.302 2.911 20 0 GFADRO CCc1nc(C(=O)NC[C@@H]2CCC[N@@H+]2C)nn1-c1c(Cl)cccc1Cl ZINC000502102223 564991819 /nfs/dbraw/zinc/99/18/19/564991819.db2.gz BOGOIVDOZDJYHH-NSHDSACASA-N 1 0 382.295 2.961 20 0 GFADRO C[N@@H+]1CCC[C@H](CNC(=O)N[C@@H](CO)CC(F)(F)F)[C@@H]1c1cccs1 ZINC000534578585 564992297 /nfs/dbraw/zinc/99/22/97/564992297.db2.gz JROQIHOFRKAONI-YRGRVCCFSA-N 1 0 379.448 2.744 20 0 GFADRO C[C@@H](CCc1ccc(I)cc1)[NH2+][C@@H](C)C(=O)NCCF ZINC000502364809 564996473 /nfs/dbraw/zinc/99/64/73/564996473.db2.gz JEJKWPAQUBHTBX-RYUDHWBXSA-N 1 0 392.256 2.676 20 0 GFADRO CS[C@H]1CN(C(=O)c2cn(C)nc2-c2ccccc2Cl)C[C@H]1[NH+](C)C ZINC000534827776 564997483 /nfs/dbraw/zinc/99/74/83/564997483.db2.gz QFWJBXPCJCMJDS-CVEARBPZSA-N 1 0 378.929 2.858 20 0 GFADRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)CCc3cc(Br)ccc3F)[C@H]2C1 ZINC000502639371 565002913 /nfs/dbraw/zinc/00/29/13/565002913.db2.gz YMLRVVRXUBAFAE-DLBZAZTESA-N 1 0 399.304 2.842 20 0 GFADRO C[NH+]1CCN(c2ccc(Br)cc2NC(=O)C2CCOCC2)CC1 ZINC000535045496 565003995 /nfs/dbraw/zinc/00/39/95/565003995.db2.gz UPRUPDYGZYLGRG-UHFFFAOYSA-N 1 0 382.302 2.566 20 0 GFADRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)CCc3cc(Br)cs3)[C@H]2C1 ZINC000502736288 565004656 /nfs/dbraw/zinc/00/46/56/565004656.db2.gz GGCGXHLNXOVTOW-LSDHHAIUSA-N 1 0 387.343 2.765 20 0 GFADRO C[C@@H](CNC(=O)N(C)CCn1cc(Br)cn1)[N@@H+]1CCCC[C@@H]1C ZINC000561704060 565006446 /nfs/dbraw/zinc/00/64/46/565006446.db2.gz JCJPSQCOKKGXGN-KBPBESRZSA-N 1 0 386.338 2.550 20 0 GFADRO C[C@@H](CC[NH+](C)C)NC(=O)N[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000502946256 565009279 /nfs/dbraw/zinc/00/92/79/565009279.db2.gz LBGHCJVPCBDYTO-DZGCQCFKSA-N 1 0 383.334 2.667 20 0 GFADRO Cc1cc(NC(=O)CN(C)CCC[N@@H+](C)CCN(C)C)ccc1Br ZINC000561788536 565009559 /nfs/dbraw/zinc/00/95/59/565009559.db2.gz ZNASFYTYCHBKFU-UHFFFAOYSA-N 1 0 399.377 2.511 20 0 GFADRO COCC[N@@H+]1CC[C@@H](NC(=O)NC(C)(C)c2ccccc2Br)C1 ZINC000535307930 565010861 /nfs/dbraw/zinc/01/08/61/565010861.db2.gz MAFSVKMLIQIPAM-CYBMUJFWSA-N 1 0 384.318 2.704 20 0 GFADRO O=C(NCC(F)(F)F)C1CC[NH+](C[C@@H](O)Cc2cccc(Cl)c2)CC1 ZINC000561843612 565011308 /nfs/dbraw/zinc/01/13/08/565011308.db2.gz UDICCSJBPYCMJP-HNNXBMFYSA-N 1 0 378.822 2.634 20 0 GFADRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000561907806 565012747 /nfs/dbraw/zinc/01/27/47/565012747.db2.gz ZJAKSEXQQGFAGF-CJNGLKHVSA-N 1 0 391.313 2.516 20 0 GFADRO C[C@H](Cc1ccccc1C(F)(F)F)[N@H+](C)CC1(O)CCS(=O)(=O)CC1 ZINC000561901049 565012804 /nfs/dbraw/zinc/01/28/04/565012804.db2.gz PKHHXKPREPAJQH-CYBMUJFWSA-N 1 0 379.444 2.508 20 0 GFADRO CC(=O)NCC[N@H+](CCCn1ccnc1)Cc1ccc(Br)s1 ZINC000503206739 565013977 /nfs/dbraw/zinc/01/39/77/565013977.db2.gz HOOBJOZLKNSXAI-UHFFFAOYSA-N 1 0 385.331 2.736 20 0 GFADRO C[C@H](CCc1ccc(Cl)s1)[NH2+][C@@H]1CCCN(S(=O)(=O)N(C)C)C1 ZINC000562055229 565016268 /nfs/dbraw/zinc/01/62/68/565016268.db2.gz QQLDNTKBZYCUNC-CHWSQXEVSA-N 1 0 379.979 2.583 20 0 GFADRO CCCC[N@H+](C)CCNC(=O)COc1cccc(I)c1 ZINC000469391291 565016508 /nfs/dbraw/zinc/01/65/08/565016508.db2.gz PLQNMGDGJNIIFW-UHFFFAOYSA-N 1 0 390.265 2.518 20 0 GFADRO O=C(N[C@H]1CC[N@@H+](C2CC2)C1)[C@H](c1ccc(Br)cc1)N1CCCC1 ZINC000503411678 565018543 /nfs/dbraw/zinc/01/85/43/565018543.db2.gz QJXCIFLPNJHPDD-WMZOPIPTSA-N 1 0 392.341 2.939 20 0 GFADRO CCS(=O)(=O)NCC[NH+]1CCC(c2ccc(Br)cc2)CC1 ZINC000503410120 565018940 /nfs/dbraw/zinc/01/89/40/565018940.db2.gz WGCKJMFLWFXSNX-UHFFFAOYSA-N 1 0 375.332 2.568 20 0 GFADRO CCOC[C@H]([NH2+]CCS(=O)(=O)c1ccc(Br)cc1)C(C)C ZINC000503445332 565019597 /nfs/dbraw/zinc/01/95/97/565019597.db2.gz CRXHADHGUCYWRE-HNNXBMFYSA-N 1 0 378.332 2.874 20 0 GFADRO C[NH+](C)[C@H]1CCCN(C(=O)C2(c3ccc(I)cc3)CC2)C1 ZINC000503505979 565021986 /nfs/dbraw/zinc/02/19/86/565021986.db2.gz ALSFASOQWVNLDV-HNNXBMFYSA-N 1 0 398.288 2.875 20 0 GFADRO C[C@H](O)C[N@H+](Cc1ccc(I)cc1Cl)[C@@H](C)CO ZINC000503564635 565023216 /nfs/dbraw/zinc/02/32/16/565023216.db2.gz CEWFDMUYCWQGMX-UWVGGRQHSA-N 1 0 383.657 2.508 20 0 GFADRO COC(C)(C)CC[NH+]1CCN(CC(=O)Nc2ccc(Br)cc2)CC1 ZINC000469712295 565024676 /nfs/dbraw/zinc/02/46/76/565024676.db2.gz KUBFPYDJDUASAE-UHFFFAOYSA-N 1 0 398.345 2.820 20 0 GFADRO COc1cc(Br)ccc1[C@@H](C)[NH2+]CCn1nc2ccccn2c1=O ZINC000469741298 565025115 /nfs/dbraw/zinc/02/51/15/565025115.db2.gz JIKYXUZCPRIGMZ-GFCCVEGCSA-N 1 0 391.269 2.618 20 0 GFADRO COc1cc(Br)ccc1[C@H](C)[NH2+]CC1(CS(C)(=O)=O)CC1 ZINC000469754778 565026204 /nfs/dbraw/zinc/02/62/04/565026204.db2.gz DONOYAMBNYEIHR-NSHDSACASA-N 1 0 376.316 2.933 20 0 GFADRO CCC[NH+]1CCC(NC(=O)CCCS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000503700524 565026367 /nfs/dbraw/zinc/02/63/67/565026367.db2.gz NAZIFVMMAKSPAK-UHFFFAOYSA-N 1 0 386.945 2.885 20 0 GFADRO C[C@H]([NH2+]CCN1CCN(c2ncccn2)CC1)c1sccc1Br ZINC000536021347 565026992 /nfs/dbraw/zinc/02/69/92/565026992.db2.gz GKUMVWIWLUSRFB-ZDUSSCGKSA-N 1 0 396.358 2.773 20 0 GFADRO OCCOC1(C[NH2+][C@H]2CCCc3c(Br)cccc32)CCOCC1 ZINC000503883509 565030770 /nfs/dbraw/zinc/03/07/70/565030770.db2.gz DNLCSVDXHVUUST-KRWDZBQOSA-N 1 0 384.314 2.974 20 0 GFADRO CCn1cc(Br)cc1C(=O)N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000469913041 565031847 /nfs/dbraw/zinc/03/18/47/565031847.db2.gz CIARKTILSMZDFE-INIZCTEOSA-N 1 0 398.345 2.988 20 0 GFADRO CC[C@@H](CO)[NH+]1CCN(C(=O)CCOc2ccc(Cl)c(Cl)c2)CC1 ZINC000536224637 565032443 /nfs/dbraw/zinc/03/24/43/565032443.db2.gz GTDGIXVDIGBICT-ZDUSSCGKSA-N 1 0 375.296 2.677 20 0 GFADRO Cn1cc(Br)c(C(=O)NCC2([N@H+](C)Cc3ccccc3)CCC2)n1 ZINC000562560367 565033654 /nfs/dbraw/zinc/03/36/54/565033654.db2.gz AOVWLIILGPSCEV-UHFFFAOYSA-N 1 0 391.313 2.967 20 0 GFADRO CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000562578516 565034658 /nfs/dbraw/zinc/03/46/58/565034658.db2.gz FNTFBRDZMOYJIU-IUODEOHRSA-N 1 0 396.329 2.837 20 0 GFADRO C[C@@H](CNC(=O)N[C@H](CO)c1ccc(Br)cc1)C[NH+]1CCCC1 ZINC000504080616 565034828 /nfs/dbraw/zinc/03/48/28/565034828.db2.gz SMARTXOLQPDHPY-XJKSGUPXSA-N 1 0 384.318 2.514 20 0 GFADRO O=C1NC(=O)C2(CC[NH+](CC/C=C\c3ccc(Br)cc3)CC2)N1 ZINC000536343444 565034982 /nfs/dbraw/zinc/03/49/82/565034982.db2.gz BIQYSQVTENHQSI-IWQZZHSRSA-N 1 0 378.270 2.526 20 0 GFADRO CC1CC[NH+](CCNC(=O)N[C@@H](CO)c2ccc(Br)cc2)CC1 ZINC000504081872 565035047 /nfs/dbraw/zinc/03/50/47/565035047.db2.gz TYZDMOZUBWADKU-INIZCTEOSA-N 1 0 384.318 2.514 20 0 GFADRO CS[C@@H]1CN(C(=O)c2cnn(-c3cccc(Cl)c3)c2C)C[C@H]1[NH+](C)C ZINC000536336103 565035320 /nfs/dbraw/zinc/03/53/20/565035320.db2.gz YNFFNHHYFMNYCT-IAGOWNOFSA-N 1 0 378.929 2.952 20 0 GFADRO COc1c(Cl)cc(Cl)cc1CN1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000470009885 565035605 /nfs/dbraw/zinc/03/56/05/565035605.db2.gz VDTVSEVRWKFJPI-ZDUSSCGKSA-N 1 0 386.323 2.646 20 0 GFADRO CN(CCOc1ccc(Br)cc1)C(=O)C[N@@H+]1CCCSCC1 ZINC000536373205 565035762 /nfs/dbraw/zinc/03/57/62/565035762.db2.gz BEQQLVZKGKVTBM-UHFFFAOYSA-N 1 0 387.343 2.725 20 0 GFADRO C[C@@H](Oc1ccccc1Br)C(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000470069283 565037082 /nfs/dbraw/zinc/03/70/82/565037082.db2.gz CZAKACHBWWIGRY-LSDHHAIUSA-N 1 0 399.329 2.834 20 0 GFADRO C[C@@H](CO)[N@@H+]1CCCN(C(=O)c2cc(Br)cc3cccnc32)CC1 ZINC000470090796 565037999 /nfs/dbraw/zinc/03/79/99/565037999.db2.gz NPTGJWBLBCDQKS-ZDUSSCGKSA-N 1 0 392.297 2.526 20 0 GFADRO CN(Cc1cc(Br)ccc1F)C(=O)C[N@H+](C)[C@H]1CCSC1 ZINC000536538389 565039758 /nfs/dbraw/zinc/03/97/58/565039758.db2.gz UDOHDSCOMRTJTO-ZDUSSCGKSA-N 1 0 375.307 2.984 20 0 GFADRO CCC[NH+]1CCC(CNC(=O)N[C@H](CO)c2ccc(Br)cc2)CC1 ZINC000504439318 565040349 /nfs/dbraw/zinc/04/03/49/565040349.db2.gz UZGDWQDGXIKORH-QGZVFWFLSA-N 1 0 398.345 2.904 20 0 GFADRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000536552576 565041001 /nfs/dbraw/zinc/04/10/01/565041001.db2.gz AHFBDKMLIWAVRV-KGLIPLIRSA-N 1 0 377.286 2.844 20 0 GFADRO O=C(Nc1ccn(-c2ccc(Cl)cc2Cl)n1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000562757785 565041504 /nfs/dbraw/zinc/04/15/04/565041504.db2.gz MCUTUPKEDIGVLI-KRWDZBQOSA-N 1 0 380.279 3.396 20 0 GFADRO CC(C)(C)NS(=O)(=O)CC[NH2+][C@@H](Cc1ccccc1Cl)[C@H]1CCCO1 ZINC000562779074 565042468 /nfs/dbraw/zinc/04/24/68/565042468.db2.gz WQKDIXNWDKARNF-DLBZAZTESA-N 1 0 388.961 2.738 20 0 GFADRO O=C(NC[C@H](O)COc1cccc(Cl)c1Cl)c1ccc2c(c1)C[NH2+]C2 ZINC000470370473 565043672 /nfs/dbraw/zinc/04/36/72/565043672.db2.gz YSTYJZZMUCVHTF-AWEZNQCLSA-N 1 0 381.259 2.766 20 0 GFADRO COc1cc(Br)c(CNC(=O)c2ccc3c(c2)C[NH2+]C3)cc1OC ZINC000470359655 565043739 /nfs/dbraw/zinc/04/37/39/565043739.db2.gz RNQJXLRSWJOIKI-UHFFFAOYSA-N 1 0 391.265 3.000 20 0 GFADRO CC(=O)Nc1ccc(S(=O)(=O)N2CCCC[C@@H]2[C@H]2CCC[NH2+]2)cc1Cl ZINC000562841757 565044657 /nfs/dbraw/zinc/04/46/57/565044657.db2.gz RLPMZGPPXXDLAX-IAGOWNOFSA-N 1 0 385.917 2.594 20 0 GFADRO CC[NH+](CC)CC(=O)N(CCC(=O)OC)Cc1cccc(Br)c1 ZINC000505076781 565048147 /nfs/dbraw/zinc/04/81/47/565048147.db2.gz SOJPBXJTXRVIRF-UHFFFAOYSA-N 1 0 385.302 2.683 20 0 GFADRO C[C@H]([NH2+]Cc1cn(C)nc1C(F)(F)F)c1cccc(NS(C)(=O)=O)c1 ZINC000536839161 565048481 /nfs/dbraw/zinc/04/84/81/565048481.db2.gz MPEAVWMHIAMBGB-JTQLQIEISA-N 1 0 376.404 2.661 20 0 GFADRO CC[NH+](CC)CC(=O)NCc1ccc(I)cc1Cl ZINC000505130091 565049544 /nfs/dbraw/zinc/04/95/44/565049544.db2.gz OWSRCDAFAUCIPX-UHFFFAOYSA-N 1 0 380.657 2.903 20 0 GFADRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NCc1nnc(-c2ccc(Br)cc2)[nH]1 ZINC000536908617 565050067 /nfs/dbraw/zinc/05/00/67/565050067.db2.gz GRSZBCIENMQWRD-IAQYHMDHSA-N 1 0 376.302 2.807 20 0 GFADRO O[C@@H](C[NH2+]C1CC[NH+](C2CCC2)CC1)COc1ccc(Br)cc1 ZINC000562998372 565051482 /nfs/dbraw/zinc/05/14/82/565051482.db2.gz GYYIQDAHDXGBLG-KRWDZBQOSA-N 1 0 383.330 2.795 20 0 GFADRO CC(C)O[C@@H]1CCN(CC(=O)Nc2ccc(I)cc2)C1 ZINC000563067236 565054149 /nfs/dbraw/zinc/05/41/49/565054149.db2.gz FQGBPUKIGAGINQ-CQSZACIVSA-N 1 0 388.249 2.729 20 0 GFADRO C[NH+](C)CCN1C[C@@H](C(=O)NC2(c3c(Cl)cccc3Cl)CC2)CC1=O ZINC000470734897 565054346 /nfs/dbraw/zinc/05/43/46/565054346.db2.gz VZZFGHUFZIQRBO-LBPRGKRZSA-N 1 0 384.307 2.509 20 0 GFADRO CC[C@@H]([NH2+]Cc1nnnn1-c1ccccc1Br)C1CCOCC1 ZINC000537221578 565054979 /nfs/dbraw/zinc/05/49/79/565054979.db2.gz WWCVFJSPRZDPQU-CQSZACIVSA-N 1 0 380.290 2.720 20 0 GFADRO COCCCOC1CCN(C(=O)[C@@](C)([NH3+])c2ccc(Br)cc2)CC1 ZINC000563081759 565055175 /nfs/dbraw/zinc/05/51/75/565055175.db2.gz ODCQUVGPGIJTRP-SFHVURJKSA-N 1 0 399.329 2.667 20 0 GFADRO C[C@@H]([NH2+]C1CC1)C(=O)N(CCn1ccnc1)Cc1ccccc1Br ZINC000563095552 565055352 /nfs/dbraw/zinc/05/53/52/565055352.db2.gz YNSFAHGTXCCEAC-CQSZACIVSA-N 1 0 391.313 2.815 20 0 GFADRO COc1cc(C[NH2+][C@H](CCO)C(C)C)cc(I)c1OC ZINC000537312655 565056833 /nfs/dbraw/zinc/05/68/33/565056833.db2.gz WYYPVFNLNVYZDY-CYBMUJFWSA-N 1 0 393.265 2.805 20 0 GFADRO CCC(CC)(NC(=O)CNC(=O)[C@@H]1CCC[NH2+]1)c1ccc(Cl)c(Cl)c1 ZINC000563157634 565057509 /nfs/dbraw/zinc/05/75/09/565057509.db2.gz QLYXLWYGSCEZLG-HNNXBMFYSA-N 1 0 386.323 2.993 20 0 GFADRO C[NH+](C)CCOC1CCN(Cc2cc3c(cc2Br)OCO3)CC1 ZINC000537630122 565060237 /nfs/dbraw/zinc/06/02/37/565060237.db2.gz OLCVBLNMXHXPJJ-UHFFFAOYSA-N 1 0 385.302 2.720 20 0 GFADRO CC[C@H](N[C@@H]1CC[N@H+](CC2CC2)C1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000684612150 565076925 /nfs/dbraw/zinc/07/69/25/565076925.db2.gz QNQDTCGYSCJWGG-WBVHZDCISA-N 1 0 385.961 2.773 20 0 GFADRO Cc1csc(C(=O)N2CCC(CC[NH3+])CC2)c1I ZINC000584358065 565077295 /nfs/dbraw/zinc/07/72/95/565077295.db2.gz CYDCRCCOMJTSHD-UHFFFAOYSA-N 1 0 378.279 2.862 20 0 GFADRO O=C(NC[C@H](CO)Cc1ccc(Br)cc1)C12CCC[NH+](CCC1)C2 ZINC000635854487 565077833 /nfs/dbraw/zinc/07/78/33/565077833.db2.gz VCTQTESUGVQRDE-MRXNPFEDSA-N 1 0 395.341 2.592 20 0 GFADRO C[NH+](C)CCN(Cc1cc2c(cc1Br)OCO2)C[C@@H]1CCCO1 ZINC000584378745 565078041 /nfs/dbraw/zinc/07/80/41/565078041.db2.gz WUWWKWFDHYPSEF-AWEZNQCLSA-N 1 0 385.302 2.720 20 0 GFADRO C[C@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)c1ccc(Br)cc1OCCCO ZINC000635949719 565082935 /nfs/dbraw/zinc/08/29/35/565082935.db2.gz BBUSSYLCXVKDJC-KBPBESRZSA-N 1 0 399.329 2.729 20 0 GFADRO COc1cc(Cl)c(S(=O)(=O)N[C@@H](C)C[NH+]2CCC(C)CC2)cc1OC ZINC000657180514 565084542 /nfs/dbraw/zinc/08/45/42/565084542.db2.gz RGTHASIRRHXWQB-ZDUSSCGKSA-N 1 0 390.933 2.756 20 0 GFADRO Cc1ccc(C[N@H+]2CC[C@H](CN(C)C(=O)CSc3n[nH]c(C)n3)C2)s1 ZINC000584534242 565086863 /nfs/dbraw/zinc/08/68/63/565086863.db2.gz ICMWGEUBQQUAAQ-CQSZACIVSA-N 1 0 379.555 2.556 20 0 GFADRO C[C@H](CNC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1)Oc1cccc(Br)c1 ZINC000584580002 565089003 /nfs/dbraw/zinc/08/90/03/565089003.db2.gz HMNRVPWWZSOHHG-IUODEOHRSA-N 1 0 382.302 2.752 20 0 GFADRO O=C(CCCS(=O)(=O)c1ccc(Cl)cc1)N[C@H]1C[C@@H]([NH+]2CCCC2)C1 ZINC000636101658 565089799 /nfs/dbraw/zinc/08/97/99/565089799.db2.gz NTFGGSLFMGEHSG-IYBDPMFKSA-N 1 0 384.929 2.637 20 0 GFADRO O=C(NCCNc1ncc(C(F)(F)F)cc1Cl)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000584713681 565093650 /nfs/dbraw/zinc/09/36/50/565093650.db2.gz NQCSPORINKJTEX-ZDUSSCGKSA-N 1 0 376.810 2.909 20 0 GFADRO COc1ccc(C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)cc1Br ZINC000584756131 565096050 /nfs/dbraw/zinc/09/60/50/565096050.db2.gz JVMLATPGSRWZKB-UHFFFAOYSA-N 1 0 393.285 3.173 20 0 GFADRO CN(C)C(=O)[C@H]1CC[C@H](C[NH2+]Cc2cc3cc(Br)ccc3o2)O1 ZINC000657426955 565099171 /nfs/dbraw/zinc/09/91/71/565099171.db2.gz MVCAHEFKYHUQNN-CZUORRHYSA-N 1 0 381.270 2.921 20 0 GFADRO Cc1c(Br)cncc1C[NH2+][C@H]1CCCN(c2cccnc2)C1=O ZINC000657433602 565102075 /nfs/dbraw/zinc/10/20/75/565102075.db2.gz WFPXRRRBXUTYCI-INIZCTEOSA-N 1 0 375.270 2.833 20 0 GFADRO Cc1c(Br)cncc1C[NH2+][C@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000657464460 565103556 /nfs/dbraw/zinc/10/35/56/565103556.db2.gz NLYZIGNJQLQXNC-HNNXBMFYSA-N 1 0 381.318 2.922 20 0 GFADRO Cc1c(Br)cncc1C[NH2+]C[C@H]1CS(=O)(=O)c2ccccc21 ZINC000657476408 565103658 /nfs/dbraw/zinc/10/36/58/565103658.db2.gz HJVRQQDDUJZNOA-ZDUSSCGKSA-N 1 0 381.295 2.813 20 0 GFADRO O=C(NC1CC([NH+]2CCCCC2)C1)c1cc(Br)cc2c1OCCO2 ZINC000614279572 565105789 /nfs/dbraw/zinc/10/57/89/565105789.db2.gz YIFQULAXFDIPPG-UHFFFAOYSA-N 1 0 395.297 2.967 20 0 GFADRO O=C(NCc1ccncc1Br)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000636309095 565105942 /nfs/dbraw/zinc/10/59/42/565105942.db2.gz VCPPYNPVCBIPNN-AWEZNQCLSA-N 1 0 384.343 2.678 20 0 GFADRO O=C(NCc1ccncc1Br)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000636312200 565106006 /nfs/dbraw/zinc/10/60/06/565106006.db2.gz JBIGDOSTCHSLLI-MRXNPFEDSA-N 1 0 389.297 2.768 20 0 GFADRO CCOc1c(Br)cc(C[NH2+]C[C@@H](OC)[C@@H]2CCOC2)cc1OC ZINC000657546119 565107639 /nfs/dbraw/zinc/10/76/39/565107639.db2.gz YHGYIQZBMOUHGY-CZUORRHYSA-N 1 0 388.302 2.998 20 0 GFADRO CC[C@H]1C[N@H+](C)CCCN1C(=O)CSc1nnc(-c2cccs2)n1C ZINC000614336252 565107798 /nfs/dbraw/zinc/10/77/98/565107798.db2.gz WBKNFLCIYYPSTL-ZDUSSCGKSA-N 1 0 379.555 2.578 20 0 GFADRO C[C@@H](CNC(=O)c1sccc1C[NH+](C)C)c1ccc(S(C)(=O)=O)cc1 ZINC000636338647 565108433 /nfs/dbraw/zinc/10/84/33/565108433.db2.gz ZURDTMHVYUSAJH-ZDUSSCGKSA-N 1 0 380.535 2.747 20 0 GFADRO CCS(=O)(=O)N1CCC([C@@H](C)[N@H+](C)Cc2ccc(Br)o2)CC1 ZINC000685475308 565108491 /nfs/dbraw/zinc/10/84/91/565108491.db2.gz GUESAVBJPNHKNZ-GFCCVEGCSA-N 1 0 393.347 2.924 20 0 GFADRO CC(C)[C@H]1CN(C(=O)c2cnc3ncc(Br)cc3c2)CC[N@@H+]1C ZINC000636339526 565108587 /nfs/dbraw/zinc/10/85/87/565108587.db2.gz URLMFQRVEMCTIP-OAHLLOKOSA-N 1 0 377.286 2.805 20 0 GFADRO OCCO[C@@]1(C[NH2+]Cc2ccc(-c3cccc(Br)c3)o2)CCOC1 ZINC000657595462 565111738 /nfs/dbraw/zinc/11/17/38/565111738.db2.gz AMOUJBCUBFLHPK-GOSISDBHSA-N 1 0 396.281 2.967 20 0 GFADRO CC(C)[C@H](NC(=O)c1ccccc1Br)C(=O)NCC(C)(C)[NH+](C)C ZINC000636422947 565112456 /nfs/dbraw/zinc/11/24/56/565112456.db2.gz MAWOKJRQYOJBRC-HNNXBMFYSA-N 1 0 398.345 2.660 20 0 GFADRO CC[NH+](CC)CCS(=O)(=O)N1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000685590214 565113018 /nfs/dbraw/zinc/11/30/18/565113018.db2.gz IQBGDALDRAQIKF-PHIMTYICSA-N 1 0 384.386 2.721 20 0 GFADRO O=C(N[C@H]1CC[N@@H+](C2CC2)C1)[C@@]12CCC(=O)N1c1cc(Cl)ccc1S2 ZINC000586764628 565114352 /nfs/dbraw/zinc/11/43/52/565114352.db2.gz SARPSKNZZYDZCS-SGTLLEGYSA-N 1 0 377.897 2.622 20 0 GFADRO CN(C)c1cc(Cl)cc(Cl)c1C[NH2+]CCCN1CCCS1(=O)=O ZINC000685615369 565115504 /nfs/dbraw/zinc/11/55/04/565115504.db2.gz TTXXCFHUWBXFMO-UHFFFAOYSA-N 1 0 380.341 2.575 20 0 GFADRO CSc1cc(Cl)ccc1NC(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000657700590 565120416 /nfs/dbraw/zinc/12/04/16/565120416.db2.gz YSLIJNGSNYUWCL-MRXNPFEDSA-N 1 0 387.958 2.554 20 0 GFADRO C[C@H](CNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)C[NH+]1CCCCC1 ZINC000614629422 565125154 /nfs/dbraw/zinc/12/51/54/565125154.db2.gz XKUWTRCKTYGELU-CYBMUJFWSA-N 1 0 380.432 2.986 20 0 GFADRO CC(C)(C)N1C[C@@H](C[NH2+]Cc2cc3c(c(Br)c2)OCO3)CC1=O ZINC000657751186 565126708 /nfs/dbraw/zinc/12/67/08/565126708.db2.gz GVPBCXURFJXPFA-GFCCVEGCSA-N 1 0 383.286 2.914 20 0 GFADRO O=C(NC[C@H]1CCCC[NH2+]1)N1CCO[C@H](c2cccc(Br)c2)C1 ZINC000636874403 565128472 /nfs/dbraw/zinc/12/84/72/565128472.db2.gz SIGPVRBHLWCMQM-CVEARBPZSA-N 1 0 382.302 2.674 20 0 GFADRO O=C(NC[C@@H]1CCCC[NH2+]1)N1CCO[C@@H](c2cccc(Br)c2)C1 ZINC000636874407 565128554 /nfs/dbraw/zinc/12/85/54/565128554.db2.gz SIGPVRBHLWCMQM-JKSUJKDBSA-N 1 0 382.302 2.674 20 0 GFADRO O=C(c1cc2ncc(Br)cn2n1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000636897840 565129919 /nfs/dbraw/zinc/12/99/19/565129919.db2.gz SSFHANPWAAXEKS-AWEZNQCLSA-N 1 0 392.301 2.582 20 0 GFADRO Cc1c(F)c(Br)ccc1NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000657840872 565132839 /nfs/dbraw/zinc/13/28/39/565132839.db2.gz XKCTVZIUZBJATF-GFCCVEGCSA-N 1 0 398.276 2.530 20 0 GFADRO C[NH+]1CCC2(CCCN2C(=O)C(=O)Nc2cccc(Br)c2F)CC1 ZINC000657856072 565133684 /nfs/dbraw/zinc/13/36/84/565133684.db2.gz KITQAOBZPVLWCD-UHFFFAOYSA-N 1 0 398.276 2.614 20 0 GFADRO C[NH+](C)C[C@H](NC(=O)NCCCn1ccnn1)c1ccc(Cl)c(Cl)c1 ZINC000637037572 565136246 /nfs/dbraw/zinc/13/62/46/565136246.db2.gz HZOTUXSYAJBTFB-HNNXBMFYSA-N 1 0 385.299 2.577 20 0 GFADRO Cc1c(F)c(Br)ccc1NC(=O)C(=O)N[C@H](C)C[N@@H+](C)C(C)C ZINC000657958630 565140571 /nfs/dbraw/zinc/14/05/71/565140571.db2.gz AWQBEYZVAVRMEP-SNVBAGLBSA-N 1 0 388.281 2.680 20 0 GFADRO COc1cc(Cl)ccc1S(=O)(=O)N1C[C@@H](SC)[C@@H]([NH+]2CCCC2)C1 ZINC000614987195 565141684 /nfs/dbraw/zinc/14/16/84/565141684.db2.gz HFHQBALFSPUPTP-DZGCQCFKSA-N 1 0 390.958 2.549 20 0 GFADRO Cc1nc(C(=O)N2CCC([N@H+]3CCOC[C@H]3C)CC2)c(Br)s1 ZINC000615085702 565143963 /nfs/dbraw/zinc/14/39/63/565143963.db2.gz ICPCJXAVYKGCAI-SNVBAGLBSA-N 1 0 388.331 2.539 20 0 GFADRO C[C@@H]1COCC[N@@H+]1C1CCN(C(=O)Cc2sccc2Br)CC1 ZINC000615087951 565144059 /nfs/dbraw/zinc/14/40/59/565144059.db2.gz PLHSFMLOOAUBIM-GFCCVEGCSA-N 1 0 387.343 2.765 20 0 GFADRO C[C@H]1COCC[N@@H+]1C1CCN(C(=O)Cc2ccc(F)cc2Br)CC1 ZINC000615088110 565145493 /nfs/dbraw/zinc/14/54/93/565145493.db2.gz YECKUSDSYQFTES-ZDUSSCGKSA-N 1 0 399.304 2.842 20 0 GFADRO CC(C)[C@@H]([NH2+]CCS(=O)(=O)N(C)C)c1cc(F)cc(Br)c1 ZINC000658018473 565145631 /nfs/dbraw/zinc/14/56/31/565145631.db2.gz IMSHPKXJPFEMGW-CQSZACIVSA-N 1 0 381.311 2.766 20 0 GFADRO COCCC[NH+]1CCC(NC(=O)NCc2cccc(Br)c2)CC1 ZINC000588973091 565146728 /nfs/dbraw/zinc/14/67/28/565146728.db2.gz AZPQXAPRBKECSZ-UHFFFAOYSA-N 1 0 384.318 2.749 20 0 GFADRO C[C@@H]([NH2+]CCNC(=O)c1ccc(Br)cn1)c1ccccc1N(C)C ZINC000658091482 565149188 /nfs/dbraw/zinc/14/91/88/565149188.db2.gz FLQHQXYJYZPDRQ-CYBMUJFWSA-N 1 0 391.313 2.991 20 0 GFADRO COc1ccc([C@H](C)[NH2+]CCNC(=O)c2ccc(Br)cn2)cc1 ZINC000658091156 565149553 /nfs/dbraw/zinc/14/95/53/565149553.db2.gz BRMXCVACFSMMOT-LBPRGKRZSA-N 1 0 378.270 2.933 20 0 GFADRO CO[C@H](c1ccccc1)[C@H](C)[NH2+]CCNC(=O)c1ccc(Br)cn1 ZINC000658093506 565150427 /nfs/dbraw/zinc/15/04/27/565150427.db2.gz WVVUHWULRWJVRN-GUYCJALGSA-N 1 0 392.297 2.940 20 0 GFADRO O=C(NCC[NH2+][C@@H]1CCCc2c(O)cccc21)c1ccc(Br)cn1 ZINC000658096535 565150462 /nfs/dbraw/zinc/15/04/62/565150462.db2.gz QWMZRZJMHKAMPC-OAHLLOKOSA-N 1 0 390.281 2.947 20 0 GFADRO Cc1cccc(NC(=O)C(=O)NC[C@H]2CC[N@@H+](C(C)(C)C)C2)c1Br ZINC000658119662 565150933 /nfs/dbraw/zinc/15/09/33/565150933.db2.gz DCFMVKFVRHGZSP-CYBMUJFWSA-N 1 0 396.329 2.933 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)C(=O)Nc1ccc(F)c(Br)c1 ZINC000658127417 565151538 /nfs/dbraw/zinc/15/15/38/565151538.db2.gz UBIVJUHEBLLWHA-NSHDSACASA-N 1 0 386.265 2.516 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)C(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000658124497 565151670 /nfs/dbraw/zinc/15/16/70/565151670.db2.gz BWNFMZDISRYVFD-AWEZNQCLSA-N 1 0 396.329 2.939 20 0 GFADRO O=S1(=O)CCC[C@@H]([NH2+][C@@H]2CSCc3ccc(Br)cc32)C1 ZINC000658186866 565154266 /nfs/dbraw/zinc/15/42/66/565154266.db2.gz CULYPVGZUQCVFT-TZMCWYRMSA-N 1 0 376.341 2.904 20 0 GFADRO C[N@@H+]1CCC[C@H]1[C@@H]1COCCN1C(=O)[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000615273347 565154689 /nfs/dbraw/zinc/15/46/89/565154689.db2.gz BUAGZIOSAOMKPR-MHORFTMASA-N 1 0 393.325 2.874 20 0 GFADRO C[N@@H+]1CCC[C@H]1[C@@H]1COCCN1C(=O)c1cn2cc(Cl)cc(Cl)c2n1 ZINC000615266551 565155126 /nfs/dbraw/zinc/15/51/26/565155126.db2.gz OCCCQFWFZDYNCA-GJZGRUSLSA-N 1 0 383.279 2.576 20 0 GFADRO O=S1(=O)CC[C@H]([NH2+][C@H]2C[C@@H](O)C23CCC3)c2cc(Br)ccc21 ZINC000658253988 565155838 /nfs/dbraw/zinc/15/58/38/565155838.db2.gz WZRTVEFNCYJJKH-AEGPPILISA-N 1 0 386.311 2.561 20 0 GFADRO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1cc(Br)cnc1OCC1CC1 ZINC000615303131 565156115 /nfs/dbraw/zinc/15/61/15/565156115.db2.gz QLZSKZGNISOPIJ-ABAIWWIYSA-N 1 0 382.302 2.798 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000658259447 565157341 /nfs/dbraw/zinc/15/73/41/565157341.db2.gz CMZCYGJHPJQRDM-CQSZACIVSA-N 1 0 396.329 2.993 20 0 GFADRO C[C@@H]1CC(=O)NCCN1C(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000637471991 565159023 /nfs/dbraw/zinc/15/90/23/565159023.db2.gz CRVVLIJMVAYQKO-IAQYHMDHSA-N 1 0 387.311 2.516 20 0 GFADRO CNC(=O)CCCN(C)C(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000637473233 565159171 /nfs/dbraw/zinc/15/91/71/565159171.db2.gz JMMQHTOTCQJLKS-HNNXBMFYSA-N 1 0 389.327 2.764 20 0 GFADRO C[NH+](C)C[C@@H](NC(=O)NCC[C@@H](O)C(F)F)c1ccc(Cl)c(Cl)c1 ZINC000637472476 565159204 /nfs/dbraw/zinc/15/92/04/565159204.db2.gz JUDGFECCCQHYAK-CHWSQXEVSA-N 1 0 384.254 2.911 20 0 GFADRO CCOc1c(Cl)cc(NC(=O)C(=O)N(CC)[C@H]2CC[N@H+](C)C2)cc1Cl ZINC000658361719 565161929 /nfs/dbraw/zinc/16/19/29/565161929.db2.gz OHTBNWNLACHQGY-LBPRGKRZSA-N 1 0 388.295 2.883 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCCCN1S(=O)(=O)Cc1cc(F)ccc1Br ZINC000658364137 565161951 /nfs/dbraw/zinc/16/19/51/565161951.db2.gz APWHGWAHBUICNQ-HZMBPMFUSA-N 1 0 379.295 2.620 20 0 GFADRO CCCOc1ccc(Br)cc1S(=O)(=O)N1CCC([NH2+]C)CC1 ZINC000658366947 565162255 /nfs/dbraw/zinc/16/22/55/565162255.db2.gz SGGAQVSPOOGSBI-UHFFFAOYSA-N 1 0 391.331 2.610 20 0 GFADRO O=S(=O)(c1cc(Cl)ccc1OC(F)(F)F)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000658380297 565164853 /nfs/dbraw/zinc/16/48/53/565164853.db2.gz MWSFYKHRJQTEAG-KOLCDFICSA-N 1 0 384.807 2.611 20 0 GFADRO O=S(=O)(c1cc(Cl)ccc1OC(F)(F)F)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000658381439 565165035 /nfs/dbraw/zinc/16/50/35/565165035.db2.gz NZWCMCJZFLKARW-GXSJLCMTSA-N 1 0 384.807 2.611 20 0 GFADRO [NH3+][C@H]1Cc2ccccc2N(S(=O)(=O)Cc2cc(F)ccc2Br)C1 ZINC000658382279 565165681 /nfs/dbraw/zinc/16/56/81/565165681.db2.gz YLEFFMHGXSDTFG-AWEZNQCLSA-N 1 0 399.285 2.808 20 0 GFADRO COC(C)(C)c1nc(C)c(C(=O)N2C[C@@H]([NH+]3CCCC3)[C@@H](SC)C2)s1 ZINC000589487352 565165753 /nfs/dbraw/zinc/16/57/53/565165753.db2.gz XGTDNXTXVZPUKV-KGLIPLIRSA-N 1 0 383.583 2.985 20 0 GFADRO O=S(=O)(c1ccc(Br)cc1)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000658384863 565165952 /nfs/dbraw/zinc/16/59/52/565165952.db2.gz NEDOGXSTBNEEIX-CQSZACIVSA-N 1 0 387.343 2.849 20 0 GFADRO O=S(=O)(c1cccc(Br)c1)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000658384723 565166075 /nfs/dbraw/zinc/16/60/75/565166075.db2.gz IVMQQVQTOBFFOW-AWEZNQCLSA-N 1 0 387.343 2.849 20 0 GFADRO O=S(=O)(N[C@H]1CC[NH2+]C2(CCC2)C1)c1ccc(F)c(Br)c1 ZINC000658402438 565168013 /nfs/dbraw/zinc/16/80/13/565168013.db2.gz NTSFAUKBAMIHGY-JTQLQIEISA-N 1 0 377.279 2.541 20 0 GFADRO CC[NH+]1CCC(NS(=O)(=O)c2cc(Br)ccc2Cl)CC1 ZINC000589875218 565171307 /nfs/dbraw/zinc/17/13/07/565171307.db2.gz SSPJPOQQFNOFTR-UHFFFAOYSA-N 1 0 381.723 2.865 20 0 GFADRO [NH3+]CCCOC1CCN(C(=O)Cc2csc(CCC(F)(F)F)n2)CC1 ZINC000637863402 565173826 /nfs/dbraw/zinc/17/38/26/565173826.db2.gz BDBAIZLXYIINOY-UHFFFAOYSA-N 1 0 379.448 2.537 20 0 GFADRO CN(CCN1CC[NH2+]CC1)C(=O)c1cc2cc(Br)ccc2s1 ZINC000637831684 565174601 /nfs/dbraw/zinc/17/46/01/565174601.db2.gz BNOMDJBXISNKEY-UHFFFAOYSA-N 1 0 382.327 2.641 20 0 GFADRO CCCCNC(=O)C1CC[NH+](Cc2cnn3cc(Br)cnc23)CC1 ZINC000637915054 565177025 /nfs/dbraw/zinc/17/70/25/565177025.db2.gz SWDWTKPAEWKPOG-UHFFFAOYSA-N 1 0 394.317 2.620 20 0 GFADRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(Cc2ccc(Cl)c(S(N)(=O)=O)c2)C1 ZINC000637952594 565179271 /nfs/dbraw/zinc/17/92/71/565179271.db2.gz PDVXUFUEZFSJJG-FMKPAKJESA-N 1 0 385.961 2.825 20 0 GFADRO O=C(Nc1ccccc1Br)C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000658646212 565180448 /nfs/dbraw/zinc/18/04/48/565180448.db2.gz ACPLOEIYKGCJPO-ZDUSSCGKSA-N 1 0 394.313 2.911 20 0 GFADRO CC[C@H](CNC(=O)c1cnc(C[NH3+])nc1)Cc1cccc(Br)c1 ZINC000638009909 565181397 /nfs/dbraw/zinc/18/13/97/565181397.db2.gz BHGCNRXGOKBEIP-LBPRGKRZSA-N 1 0 377.286 2.697 20 0 GFADRO C[N@H+](CCc1ccc(Br)cc1)Cc1ccc(S(N)(=O)=O)s1 ZINC000638020645 565181505 /nfs/dbraw/zinc/18/15/05/565181505.db2.gz KCVMVZWMFQSSPC-UHFFFAOYSA-N 1 0 389.340 2.833 20 0 GFADRO COc1ccccc1[C@@H]1CC[N@H+](Cc2ccc(S(N)(=O)=O)c(Cl)c2)C1 ZINC000638108751 565184353 /nfs/dbraw/zinc/18/43/53/565184353.db2.gz OKBVOHKDDQIEGB-CQSZACIVSA-N 1 0 380.897 2.986 20 0 GFADRO C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)CCC2C[NH2+]C2)CC1 ZINC000638127860 565186256 /nfs/dbraw/zinc/18/62/56/565186256.db2.gz ZKHCYARBRPLQFL-CQSZACIVSA-N 1 0 380.330 2.654 20 0 GFADRO COc1cc(C(=O)Nc2cnc3c(c2)C[C@H]([NH3+])CC3)ccc1Br ZINC000638155487 565186274 /nfs/dbraw/zinc/18/62/74/565186274.db2.gz OZMPYIHPCGIQBJ-GFCCVEGCSA-N 1 0 376.254 2.921 20 0 GFADRO [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)c1cc(Cl)cc(Cl)c1F ZINC000638208703 565188525 /nfs/dbraw/zinc/18/85/25/565188525.db2.gz GKMIZDKLUHIUJT-NSHDSACASA-N 1 0 376.259 2.592 20 0 GFADRO NS(=O)(=O)c1ccc(CNc2ccccc2C[NH+]2CCSCC2)s1 ZINC000638240145 565188723 /nfs/dbraw/zinc/18/87/23/565188723.db2.gz RBLSAUOBSFPUCM-UHFFFAOYSA-N 1 0 383.564 2.556 20 0 GFADRO COc1cc(C(=O)Nc2nc3c(s2)C[C@@H]([NH3+])CC3)ccc1Br ZINC000638233460 565188806 /nfs/dbraw/zinc/18/88/06/565188806.db2.gz YWAMJSVRDTYSFM-VIFPVBQESA-N 1 0 382.283 2.983 20 0 GFADRO [NH3+]CC[C@H](NC(=O)[C@@H]1[C@@H]2Cc3cc(Br)ccc3[C@@H]21)C(F)(F)F ZINC000638265941 565190078 /nfs/dbraw/zinc/19/00/78/565190078.db2.gz HGCYDWSVXGYBHK-MROQNXINSA-N 1 0 377.204 2.731 20 0 GFADRO O=C(c1ccc2cncc(Br)c2n1)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000638262233 565190316 /nfs/dbraw/zinc/19/03/16/565190316.db2.gz KSHBSCWYHXQDRR-GXTWGEPZSA-N 1 0 389.297 2.854 20 0 GFADRO CN(C(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000638308704 565191021 /nfs/dbraw/zinc/19/10/21/565191021.db2.gz VPRKYFKURSIEKA-DFJYDUHMSA-N 1 0 384.307 2.876 20 0 GFADRO COCCOc1c(Cl)cc(NC(=O)[C@]2(C[NH3+])CCCOC2)cc1Cl ZINC000638304741 565191694 /nfs/dbraw/zinc/19/16/94/565191694.db2.gz SVLMISDMKSISKR-INIZCTEOSA-N 1 0 377.268 2.713 20 0 GFADRO COCC[NH2+]C1CCN(C(=O)[C@H]2[C@@H]3c4ccc(Br)cc4C[C@H]23)CC1 ZINC000638386409 565193501 /nfs/dbraw/zinc/19/35/01/565193501.db2.gz MDELJCSJSALLQL-RCCFBDPRSA-N 1 0 393.325 2.562 20 0 GFADRO CO[C@H]1C[NH2+][C@](C)(C(=O)N2CCc3[nH]c4ccc(Br)cc4c3C2)C1 ZINC000638407729 565195370 /nfs/dbraw/zinc/19/53/70/565195370.db2.gz JJULSMBQPKPYTD-XIKOKIGWSA-N 1 0 392.297 2.582 20 0 GFADRO COc1ncc(C(=O)N2CCC([C@@H]3CCC[NH2+]C3)CC2)cc1Br ZINC000658955923 565196290 /nfs/dbraw/zinc/19/62/90/565196290.db2.gz BSYPROUXHYNHQO-CYBMUJFWSA-N 1 0 382.302 2.705 20 0 GFADRO C[C@H](Cn1cncn1)[NH2+][C@H]1CCN(C)[C@H](c2ccc(Br)cc2)C1 ZINC000638431746 565196831 /nfs/dbraw/zinc/19/68/31/565196831.db2.gz VWKOBMRPYINXAC-COXVUDFISA-N 1 0 378.318 2.854 20 0 GFADRO O=C(C[C@H]1C[NH2+]CCO1)N1CC[C@H](Sc2ccc(Br)cc2)C1 ZINC000638473312 565197932 /nfs/dbraw/zinc/19/79/32/565197932.db2.gz JYIQXNAATGHITP-ZFWWWQNUSA-N 1 0 385.327 2.521 20 0 GFADRO CC(C)[C@H]([NH3+])CCNC(=O)Nc1cc(Br)ccc1N1CCOCC1 ZINC000658985298 565198010 /nfs/dbraw/zinc/19/80/10/565198010.db2.gz CZUWIELHXQWFDW-CQSZACIVSA-N 1 0 399.333 2.781 20 0 GFADRO CC(C)c1cc(Br)ccc1NC(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000659006146 565198045 /nfs/dbraw/zinc/19/80/45/565198045.db2.gz BUJYRVUCNWBTJR-UHFFFAOYSA-N 1 0 394.273 2.849 20 0 GFADRO Brc1cnc2c(C[NH2+]Cc3ccc(OCC4CC4)nc3)cnn2c1 ZINC000638487283 565198185 /nfs/dbraw/zinc/19/81/85/565198185.db2.gz MWFWIRUKNYEQBD-UHFFFAOYSA-N 1 0 388.269 2.965 20 0 GFADRO CSc1ccc(NC(=O)C2C[C@@H]3C[NH2+]C[C@H](C2)C3=O)cc1Br ZINC000638468010 565198204 /nfs/dbraw/zinc/19/82/04/565198204.db2.gz QOECXSARXNIXPU-FGWVZKOKSA-N 1 0 383.311 2.924 20 0 GFADRO CN(CC(C)(C)[NH3+])C(=O)C(=O)Nc1ccc(Br)c(C(F)(F)F)c1 ZINC000659096785 565201287 /nfs/dbraw/zinc/20/12/87/565201287.db2.gz JQDACQKPXKRVLN-UHFFFAOYSA-N 1 0 396.207 2.602 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)COc2ccccc2Br)CC[C@@H]1C(F)(F)F ZINC000638558001 565201524 /nfs/dbraw/zinc/20/15/24/565201524.db2.gz UJBHPPKEIUYFLH-MNOVXSKESA-N 1 0 395.219 2.814 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)COc2cccc(Br)c2)CC[C@@H]1C(F)(F)F ZINC000638551273 565201595 /nfs/dbraw/zinc/20/15/95/565201595.db2.gz VJIYOOQNVGFFPQ-MFKMUULPSA-N 1 0 395.219 2.814 20 0 GFADRO Cc1cc(Br)c(Cl)cc1NC(=O)C(=O)NCC[C@@H]([NH3+])C(C)C ZINC000659107944 565201597 /nfs/dbraw/zinc/20/15/97/565201597.db2.gz FYZLPFCZWDCMOJ-GFCCVEGCSA-N 1 0 390.709 2.839 20 0 GFADRO COc1ncc(Br)cc1CNC(=O)c1cccn1C1CC[NH2+]CC1 ZINC000638562244 565202540 /nfs/dbraw/zinc/20/25/40/565202540.db2.gz XZLAFDHMXQLURR-UHFFFAOYSA-N 1 0 393.285 2.509 20 0 GFADRO O=C(C[C@H]1C[NH2+]CCO1)N[C@@H]1CCCSc2ccc(Br)cc21 ZINC000638585495 565203429 /nfs/dbraw/zinc/20/34/29/565203429.db2.gz ZRJSSVMULUCEMD-GXTWGEPZSA-N 1 0 385.327 2.871 20 0 GFADRO O=C(CCc1ncc(-c2ccc(Cl)cc2Cl)o1)NC[C@H]1COCC[NH2+]1 ZINC000638618869 565205116 /nfs/dbraw/zinc/20/51/16/565205116.db2.gz PBNWYPVBONAJLB-LBPRGKRZSA-N 1 0 384.263 2.686 20 0 GFADRO C[C@H](NC(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1)c1ccc(Br)cc1 ZINC000590845288 565207741 /nfs/dbraw/zinc/20/77/41/565207741.db2.gz DSBVARCVVVSPRP-RRQGHBQHSA-N 1 0 396.329 2.751 20 0 GFADRO COc1cc(CNC(=O)C2([NH3+])CC3(CCC3)C2)cc(Br)c1OC ZINC000659253762 565208779 /nfs/dbraw/zinc/20/87/79/565208779.db2.gz RXZVKWKDZFXNSX-UHFFFAOYSA-N 1 0 383.286 2.744 20 0 GFADRO O=C1C[C@@H]([NH2+][C@@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)CCCN1 ZINC000638759121 565209653 /nfs/dbraw/zinc/20/96/53/565209653.db2.gz FVUOMSSJPOIDPU-NWDGAFQWSA-N 1 0 376.810 2.591 20 0 GFADRO O=C(Cc1cc(F)ccc1Br)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000638790693 565211435 /nfs/dbraw/zinc/21/14/35/565211435.db2.gz LZFASYUSVCRZRI-INIZCTEOSA-N 1 0 399.304 2.748 20 0 GFADRO CN1CC[C@H]([NH2+]Cc2ccc(S(N)(=O)=O)s2)[C@H]1c1ccc(Cl)cc1 ZINC000638803055 565211673 /nfs/dbraw/zinc/21/16/73/565211673.db2.gz ZOFPETRPELPIJQ-GOEBONIOSA-N 1 0 385.942 2.584 20 0 GFADRO CC(C)OC[C@H]([NH3+])C(=O)NCc1cc(Br)ccc1Br ZINC000659318908 565212717 /nfs/dbraw/zinc/21/27/17/565212717.db2.gz HEVAIJFCQNRYJZ-LBPRGKRZSA-N 1 0 394.107 2.580 20 0 GFADRO N[C@H](C(=O)NCC[C@H]([NH3+])Cc1ccccc1)c1ccccc1Br ZINC000638878261 565215154 /nfs/dbraw/zinc/21/51/54/565215154.db2.gz ALVPLORGXNQOOG-YOEHRIQHSA-N 1 0 376.298 2.525 20 0 GFADRO [NH3+][C@@H]1CN(C(=O)CCc2nc3cc(Br)ccc3s2)CC[C@H]1F ZINC000659389155 565215585 /nfs/dbraw/zinc/21/55/85/565215585.db2.gz KRUPYLPCKOWADU-GHMZBOCLSA-N 1 0 386.290 2.889 20 0 GFADRO O=C(NCc1cc(Br)ccc1OC(F)F)NCC12CC(C1)C[NH2+]2 ZINC000659447058 565217919 /nfs/dbraw/zinc/21/79/19/565217919.db2.gz CDMCEYUQXCXMIQ-UHFFFAOYSA-N 1 0 390.228 2.602 20 0 GFADRO CC(C)[C@H]([NH3+])CCNC(=O)NC[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000659443510 565218453 /nfs/dbraw/zinc/21/84/53/565218453.db2.gz VTOCTVUPHHCHCQ-RHSMWYFYSA-N 1 0 397.361 2.948 20 0 GFADRO [NH3+][C@@H]1CN(C(=O)NCC2(c3ccccc3Br)CCC2)CC[C@H]1F ZINC000659494902 565218809 /nfs/dbraw/zinc/21/88/09/565218809.db2.gz DSCNSIIQZMQGMD-HUUCEWRRSA-N 1 0 384.293 2.952 20 0 GFADRO O=C(NCCC[C@@H]1CCC[NH2+]1)N1CCOc2cc(Br)ccc2C1 ZINC000659549941 565219828 /nfs/dbraw/zinc/21/98/28/565219828.db2.gz DHOHTPNXNFBHAR-HNNXBMFYSA-N 1 0 382.302 2.885 20 0 GFADRO O=C(NCCC[C@H]1CCC[NH2+]1)N1CCOc2cc(Br)ccc2C1 ZINC000659549946 565220150 /nfs/dbraw/zinc/22/01/50/565220150.db2.gz DHOHTPNXNFBHAR-OAHLLOKOSA-N 1 0 382.302 2.885 20 0 GFADRO O=C(Nc1nnc(-c2c(F)cccc2F)s1)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000638977180 565220223 /nfs/dbraw/zinc/22/02/23/565220223.db2.gz OOKHCUALUDIEOY-ZDUSSCGKSA-N 1 0 378.326 2.964 20 0 GFADRO C[C@H]([NH3+])CNC(=O)Nc1ccc(Br)c(I)c1 ZINC000591285010 565221001 /nfs/dbraw/zinc/22/10/01/565221001.db2.gz SUNZYKPJZHHEII-LURJTMIESA-N 1 0 398.042 2.522 20 0 GFADRO O=C([C@@H]1[C@@H]2Cc3cc(Br)ccc3[C@@H]21)N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000639018914 565221000 /nfs/dbraw/zinc/22/10/00/565221000.db2.gz ACKZKHDMFAVQSS-VGLCKJCNSA-N 1 0 375.310 2.935 20 0 GFADRO [NH3+][C@H]1CC[C@H](NC(=O)C2(c3ccc(Br)cc3)CCOCC2)CC1 ZINC000639029149 565221024 /nfs/dbraw/zinc/22/10/24/565221024.db2.gz XXYNYCPBIYEADB-WKILWMFISA-N 1 0 381.314 2.883 20 0 GFADRO [NH3+]Cc1cn([C@@H]2CCCN(C(=O)NCc3ccc(Cl)c(Cl)c3)C2)nn1 ZINC000659600414 565221640 /nfs/dbraw/zinc/22/16/40/565221640.db2.gz YZWYNFLCKVDQKG-CYBMUJFWSA-N 1 0 383.283 2.590 20 0 GFADRO COC(=O)c1cc(NC(=O)N[C@H]2CC[NH2+][C@H](C)C2)c(Br)cc1F ZINC000591287326 565221823 /nfs/dbraw/zinc/22/18/23/565221823.db2.gz OABADYCTQFTAIT-BDAKNGLRSA-N 1 0 388.237 2.637 20 0 GFADRO COC(=O)c1cc(NC(=O)N[C@@H]2CCC[C@H]([NH3+])C2)c(Br)cc1F ZINC000591287280 565222016 /nfs/dbraw/zinc/22/20/16/565222016.db2.gz KMRBKJVDVAHVFK-DTWKUNHWSA-N 1 0 388.237 2.766 20 0 GFADRO COC(=O)c1cc(Br)c(F)cc1NC(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000591297902 565222472 /nfs/dbraw/zinc/22/24/72/565222472.db2.gz RZJXXFSZERPNHN-SECBINFHSA-N 1 0 388.237 2.638 20 0 GFADRO COC(=O)c1cc(NC(=O)NC[C@H]2CCCC[NH2+]2)cc(Br)c1F ZINC000591302038 565223054 /nfs/dbraw/zinc/22/30/54/565223054.db2.gz DLBUAHZSVGYHOF-SECBINFHSA-N 1 0 388.237 2.638 20 0 GFADRO COc1ncc(C(=O)N2CC[C@H](C[NH3+])c3ccccc32)cc1Br ZINC000639066520 565223296 /nfs/dbraw/zinc/22/32/96/565223296.db2.gz WSMIHTOQXLSZBR-LLVKDONJSA-N 1 0 376.254 2.946 20 0 GFADRO CS[C@H]1CN(C(=O)c2nnc(-c3c(F)cccc3F)s2)C[C@@H]1[NH+](C)C ZINC000591343899 565224505 /nfs/dbraw/zinc/22/45/05/565224505.db2.gz OLKZGTGOXVDHGN-RYUDHWBXSA-N 1 0 384.477 2.601 20 0 GFADRO CO[C@H](C[NH+]1CCN(Cc2ccc(Br)s2)CC1)[C@@H]1CCOC1 ZINC000659832529 565225150 /nfs/dbraw/zinc/22/51/50/565225150.db2.gz UTADDEVTNGOGNA-UKRRQHHQSA-N 1 0 389.359 2.680 20 0 GFADRO CNC(=O)[C@@H]([NH2+][C@H]1CCN(C)[C@H](c2ccc(Br)cc2)C1)C(C)C ZINC000639112188 565226207 /nfs/dbraw/zinc/22/62/07/565226207.db2.gz OHLTXGBSJHGZRO-ULQDDVLXSA-N 1 0 382.346 2.945 20 0 GFADRO C[NH+](C)CC1CCN(CC(=O)c2c[nH]c3ncc(Br)cc23)CC1 ZINC000659843517 565226465 /nfs/dbraw/zinc/22/64/65/565226465.db2.gz ARNZYSWRHQIMIU-UHFFFAOYSA-N 1 0 379.302 2.782 20 0 GFADRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(Cc2nnc(C(F)(F)F)s2)CC1 ZINC000659862481 565226670 /nfs/dbraw/zinc/22/66/70/565226670.db2.gz CURITKYXQDRQNO-BETUJISGSA-N 1 0 377.480 2.547 20 0 GFADRO CN(CCC[N@H+](C)Cc1ccco1)Cc1ccc(Cl)c(S(N)(=O)=O)c1 ZINC000639165882 565230398 /nfs/dbraw/zinc/23/03/98/565230398.db2.gz AQZHQDUUUKQTQX-UHFFFAOYSA-N 1 0 385.917 2.534 20 0 GFADRO CC[N@@H+]1CCN(C(=O)Nc2cccc(C(=O)OC)c2Br)C[C@H]1C ZINC000617297625 565231178 /nfs/dbraw/zinc/23/11/78/565231178.db2.gz CDWOLZUMOBQMKT-LLVKDONJSA-N 1 0 384.274 2.794 20 0 GFADRO C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+]1CCC[C@@H](CCO)C1 ZINC000591472000 565231445 /nfs/dbraw/zinc/23/14/45/565231445.db2.gz FYWHMFHGMJFMFS-CABCVRRESA-N 1 0 383.330 2.890 20 0 GFADRO CO[C@]1(C[NH2+][C@H](C)c2ccc(Br)cc2OCCCO)CCOC1 ZINC000639197685 565231872 /nfs/dbraw/zinc/23/18/72/565231872.db2.gz LEKOGKDJRIXLND-DYVFJYSZSA-N 1 0 388.302 2.666 20 0 GFADRO CN(CC(=O)c1c[nH]c2ncc(Br)cc12)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000659919586 565232480 /nfs/dbraw/zinc/23/24/80/565232480.db2.gz KPWBUKPXSRXCBO-ZDUSSCGKSA-N 1 0 377.286 2.677 20 0 GFADRO CN(CC(=O)c1c[nH]c2ncc(Br)cc12)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000659919583 565232739 /nfs/dbraw/zinc/23/27/39/565232739.db2.gz KPWBUKPXSRXCBO-CYBMUJFWSA-N 1 0 377.286 2.677 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCO[C@H]2c2cncc(Br)c2)C1 ZINC000617341751 565232989 /nfs/dbraw/zinc/23/29/89/565232989.db2.gz XTJDLYVHIVTULO-OAGGEKHMSA-N 1 0 396.329 2.911 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)c2cccnc2-n2cc(Br)cn2)C1 ZINC000617341838 565233015 /nfs/dbraw/zinc/23/30/15/565233015.db2.gz ZYJUQXWDHNOEET-ZDUSSCGKSA-N 1 0 392.301 2.632 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)c2cc(Br)cc3[nH]c(=O)[nH]c32)C1 ZINC000617342949 565233894 /nfs/dbraw/zinc/23/38/94/565233894.db2.gz IYTMKOIFLOXFHJ-SNVBAGLBSA-N 1 0 381.274 2.634 20 0 GFADRO CC(C)(CO)[C@H]([NH2+]Cc1ccc(S(N)(=O)=O)c(Cl)c1)c1cccs1 ZINC000639245191 565235094 /nfs/dbraw/zinc/23/50/94/565235094.db2.gz VNVNBPUPXVFSFL-OAHLLOKOSA-N 1 0 388.942 2.898 20 0 GFADRO C[C@@H]1C[C@@H](N(C)CC(=O)c2c[nH]c3ncc(Br)cc23)CC[N@@H+]1C ZINC000659983164 565236345 /nfs/dbraw/zinc/23/63/45/565236345.db2.gz GAPFKSVOZLZPNW-YPMHNXCESA-N 1 0 379.302 2.923 20 0 GFADRO CC[NH+](CC)[C@@H]1CCN(CC(=O)c2c[nH]c3ncc(Br)cc23)C1 ZINC000659968608 565236452 /nfs/dbraw/zinc/23/64/52/565236452.db2.gz IPKJYCNTXDNLCD-CYBMUJFWSA-N 1 0 379.302 2.924 20 0 GFADRO C[C@H](c1ccc(S(C)(=O)=O)cc1)N1CCC([NH2+]Cc2ccns2)CC1 ZINC000639246981 565236574 /nfs/dbraw/zinc/23/65/74/565236574.db2.gz QONJEVJMEMEAGU-CQSZACIVSA-N 1 0 379.551 2.862 20 0 GFADRO OCC1([NH2+]Cc2cnn3cc(Br)cnc23)C2CC3CC(C2)CC1C3 ZINC000639264315 565236600 /nfs/dbraw/zinc/23/66/00/565236600.db2.gz BTHLBZQUGSCDDL-UHFFFAOYSA-N 1 0 391.313 2.769 20 0 GFADRO O[C@H](C[NH2+]Cc1cc(Cl)cc(I)c1)C(F)(F)F ZINC000591771465 565238657 /nfs/dbraw/zinc/23/86/57/565238657.db2.gz CFNOWNVNCCHQFR-SECBINFHSA-N 1 0 379.547 2.957 20 0 GFADRO C[S@](=O)c1ccc(C[NH2+]C[C@@H](O)COc2cccc(Br)c2)cc1 ZINC000591749306 565238771 /nfs/dbraw/zinc/23/87/71/565238771.db2.gz BOOUKZQHYOYIGV-CMJOXMDJSA-N 1 0 398.322 2.716 20 0 GFADRO COc1cc(CN2CCC([N@@H+]3CC[C@@H](O)C3)CC2)c(F)cc1Br ZINC000639330115 565239574 /nfs/dbraw/zinc/23/95/74/565239574.db2.gz IKCVWWXRPMMNKU-CQSZACIVSA-N 1 0 387.293 2.628 20 0 GFADRO CC[C@@H](Cc1ccc(Br)cc1)[NH2+]Cc1ccc(S(N)(=O)=O)o1 ZINC000639336638 565240738 /nfs/dbraw/zinc/24/07/38/565240738.db2.gz XTAHOOIGIIONPS-ZDUSSCGKSA-N 1 0 387.299 2.800 20 0 GFADRO CCC[N@@H+]1CC[C@H](NS(=O)(=O)c2cc(Cl)ccc2Br)C1 ZINC000660027773 565240685 /nfs/dbraw/zinc/24/06/85/565240685.db2.gz OVEHEIVISPZUSU-NSHDSACASA-N 1 0 381.723 2.865 20 0 GFADRO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)C1(c2ccccc2Br)CC1 ZINC000617507111 565244747 /nfs/dbraw/zinc/24/47/47/565244747.db2.gz IOZJKNZCTVPNHR-HNNXBMFYSA-N 1 0 396.373 2.869 20 0 GFADRO COCCOC[C@@H]1CC[N@H+](C[C@@H](O)COc2cc(Cl)cc(Cl)c2)C1 ZINC000639504057 565247695 /nfs/dbraw/zinc/24/76/95/565247695.db2.gz GJDGAPJIGXYVQU-CZUORRHYSA-N 1 0 378.296 2.718 20 0 GFADRO CN(C)C(=O)CC1CC[NH+](C[C@@H](O)COc2cc(Cl)cc(Cl)c2)CC1 ZINC000639576025 565250518 /nfs/dbraw/zinc/25/05/18/565250518.db2.gz SIHSGIZRDNIVQQ-MRXNPFEDSA-N 1 0 389.323 2.923 20 0 GFADRO CC(C)[NH2+][C@H]1CCCN(C(=O)c2ccc3cncc(Br)c3n2)C1 ZINC000639635004 565252252 /nfs/dbraw/zinc/25/22/52/565252252.db2.gz NKYIBFQRKDVHAQ-ZDUSSCGKSA-N 1 0 377.286 2.995 20 0 GFADRO CCC[N@H+](C)CC(C)(C)NS(=O)(=O)c1cc(Br)ccc1OC ZINC000660106988 565253858 /nfs/dbraw/zinc/25/38/58/565253858.db2.gz JWTRINWLPWCUJC-UHFFFAOYSA-N 1 0 393.347 2.856 20 0 GFADRO Cc1ncc(CNC(=O)CC[N@@H+]2CCc3nccc(Br)c3C2)s1 ZINC000639698659 565254851 /nfs/dbraw/zinc/25/48/51/565254851.db2.gz SSCPOHGRXSUJLD-UHFFFAOYSA-N 1 0 395.326 2.674 20 0 GFADRO O=C(CN1CCCN(c2cc[nH+]cc2)CC1)Nc1ccccc1Br ZINC000639683294 565255009 /nfs/dbraw/zinc/25/50/09/565255009.db2.gz VXZJFRWFACXXRI-UHFFFAOYSA-N 1 0 389.297 2.995 20 0 GFADRO COCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C)Oc2ccc(Cl)c(Cl)c2)C1 ZINC000592093286 565254971 /nfs/dbraw/zinc/25/49/71/565254971.db2.gz CRQRPZSAILKTHQ-CHWSQXEVSA-N 1 0 375.296 2.988 20 0 GFADRO COCC[N@@H+]1CCC[C@@H](NC(=O)[C@H](C)Oc2ccc(Cl)c(Cl)c2)C1 ZINC000592093288 565255996 /nfs/dbraw/zinc/25/59/96/565255996.db2.gz CRQRPZSAILKTHQ-QWHCGFSZSA-N 1 0 375.296 2.988 20 0 GFADRO COCC[N@@H+]1CCC[C@H](NC(=O)[C@@H](C)Oc2cccc(Cl)c2Cl)C1 ZINC000592098736 565256118 /nfs/dbraw/zinc/25/61/18/565256118.db2.gz ZBKAIQOXVXYRHX-OLZOCXBDSA-N 1 0 375.296 2.988 20 0 GFADRO C[NH+](C)C[C@]1(O)CCCN(Cc2ncc(-c3ccc(Br)cc3)o2)C1 ZINC000639762770 565257882 /nfs/dbraw/zinc/25/78/82/565257882.db2.gz ODVLYVWCPZJBDY-GOSISDBHSA-N 1 0 394.313 2.993 20 0 GFADRO OCC1([C@@H]([NH2+]Cc2cn3cc(Br)ccc3n2)[C@@H]2CCCO2)CCC1 ZINC000639769965 565258107 /nfs/dbraw/zinc/25/81/07/565258107.db2.gz YRETUNHDOILMOE-RDJZCZTQSA-N 1 0 394.313 2.897 20 0 GFADRO CC(C)N1CC[NH+](C2CCN(Cc3nnc(C(F)(F)F)s3)CC2)CC1 ZINC000660150326 565260702 /nfs/dbraw/zinc/26/07/02/565260702.db2.gz IMJRZFODRSXJSR-UHFFFAOYSA-N 1 0 377.480 2.547 20 0 GFADRO CCO[C@@H]1C[C@@H]([NH2+]C[C@H](O)COc2ccc(Br)cc2)[C@@H]1SC ZINC000592169364 565262241 /nfs/dbraw/zinc/26/22/41/565262241.db2.gz ZCUKHCCANQZFOM-XZDPQHSOSA-N 1 0 390.343 2.687 20 0 GFADRO C[C@H](CS(C)(=O)=O)C(=O)Nc1nc2ccc(C[N@H+](C)C3CC3)cc2s1 ZINC000617866476 565264151 /nfs/dbraw/zinc/26/41/51/565264151.db2.gz NOCYAKSNTQVOHY-LLVKDONJSA-N 1 0 381.523 2.510 20 0 GFADRO COC[C@@](C)(CO)[NH2+]CCCC(=O)Nc1c(C)cc(Br)cc1C ZINC000639956389 565268860 /nfs/dbraw/zinc/26/88/60/565268860.db2.gz DMVKIEXRCJZGNW-QGZVFWFLSA-N 1 0 387.318 2.772 20 0 GFADRO CC1([NH3+])CCN(C(=O)c2ccc(Cl)c(I)c2)CC1 ZINC000592331176 565270120 /nfs/dbraw/zinc/27/01/20/565270120.db2.gz NCHOTFPXYSGLBF-UHFFFAOYSA-N 1 0 378.641 2.898 20 0 GFADRO CC(C)[N@H+](C)C[C@H](O)CN1CCO[C@@H](c2ccc(F)c(Br)c2)C1 ZINC000660313527 565270636 /nfs/dbraw/zinc/27/06/36/565270636.db2.gz NESWPKOIZKDOFR-WMLDXEAASA-N 1 0 389.309 2.663 20 0 GFADRO COc1cc(NC(=O)NCC2CC[NH+](C3CC3)CC2)ncc1Br ZINC000639965676 565270963 /nfs/dbraw/zinc/27/09/63/565270963.db2.gz QXGYRJORIBMCIC-UHFFFAOYSA-N 1 0 383.290 2.849 20 0 GFADRO CC(C)[C@@](C)([NH2+]CCN1C(=O)CN(C)C1=O)c1ccc(Br)cc1 ZINC000660398230 565273928 /nfs/dbraw/zinc/27/39/28/565273928.db2.gz MHYFAKOTPDCOLG-QGZVFWFLSA-N 1 0 382.302 2.804 20 0 GFADRO O=C(CN1C[C@@H](CO)[C@H](C(F)(F)F)C1)Nc1ccc(Br)cc1F ZINC000640052446 565277655 /nfs/dbraw/zinc/27/76/55/565277655.db2.gz BSKSRXNQQWQHDZ-WCBMZHEXSA-N 1 0 399.182 2.629 20 0 GFADRO [NH3+]C[C@@H]1CCCn2ncc(C(=O)NCc3cc(F)ccc3Br)c21 ZINC000592484531 565278664 /nfs/dbraw/zinc/27/86/64/565278664.db2.gz URORHCZUJRLXSX-JTQLQIEISA-N 1 0 381.249 2.551 20 0 GFADRO Cc1cc(Br)cc(NC(=O)c2cnn3c2[C@H](C[NH3+])CCC3)c1N ZINC000592540967 565281030 /nfs/dbraw/zinc/28/10/30/565281030.db2.gz BICYONLCHZVYMQ-JTQLQIEISA-N 1 0 378.274 2.625 20 0 GFADRO CN1CC(=O)N(CC[NH2+][C@H]2c3cccc(Br)c3CC2(C)C)C1=O ZINC000660612504 565284925 /nfs/dbraw/zinc/28/49/25/565284925.db2.gz CVTFYIDKCKUBIQ-HNNXBMFYSA-N 1 0 380.286 2.556 20 0 GFADRO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)[C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 ZINC000618305787 565285875 /nfs/dbraw/zinc/28/58/75/565285875.db2.gz HIKZVAHUKPYQIS-JKSUJKDBSA-N 1 0 386.323 2.575 20 0 GFADRO OC[C@@]1([C@H]([NH2+]Cc2ncc(Br)cc2Cl)C2CC2)CCCO1 ZINC000660647977 565286341 /nfs/dbraw/zinc/28/63/41/565286341.db2.gz VMTDMSOFIFVKBE-HUUCEWRRSA-N 1 0 375.694 2.907 20 0 GFADRO C[NH+]1CCN(C(C)(C)CNC(=O)Nc2cscc2Br)CC1 ZINC000640191581 565286651 /nfs/dbraw/zinc/28/66/51/565286651.db2.gz JPGMZOWUDWGCOJ-UHFFFAOYSA-N 1 0 375.336 2.658 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)N2CCOc3cc(Br)ccc3C2)CC[N@@H+]1C ZINC000660857651 565296815 /nfs/dbraw/zinc/29/68/15/565296815.db2.gz UQKSIRVEPBEERJ-IUODEOHRSA-N 1 0 382.302 2.836 20 0 GFADRO O=C(NC1CC[NH+](CCSc2cccc(Cl)c2)CC1)N1CCOCC1 ZINC000660859319 565296991 /nfs/dbraw/zinc/29/69/91/565296991.db2.gz YWBAYNXLTUPWIX-UHFFFAOYSA-N 1 0 383.945 2.938 20 0 GFADRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)Nc1nn(CC(F)(F)F)cc1Cl ZINC000640302628 565297229 /nfs/dbraw/zinc/29/72/29/565297229.db2.gz SXMJVVSDMNULQE-MNOVXSKESA-N 1 0 379.814 3.189 20 0 GFADRO C[C@H](NC(=O)Nc1nnc(C(F)(F)C(F)(F)F)s1)C(C)(C)C[NH+](C)C ZINC000640384215 565304956 /nfs/dbraw/zinc/30/49/56/565304956.db2.gz BLXKUGQRICQSBW-ZETCQYMHSA-N 1 0 389.394 3.290 20 0 GFADRO OCC1([C@@H]([NH2+]Cc2nc3cc(Br)ccc3[nH]2)C2CC2)CCOCC1 ZINC000661079910 565305262 /nfs/dbraw/zinc/30/52/62/565305262.db2.gz HDLYEFKLILDHKI-KRWDZBQOSA-N 1 0 394.313 2.983 20 0 GFADRO CC[C@H](C)[NH+]1CCN(C(=O)Nc2nnc(C(F)(F)C(F)(F)F)s2)CC1 ZINC000640387229 565306718 /nfs/dbraw/zinc/30/67/18/565306718.db2.gz NWDSLRFNJKKYHQ-QMMMGPOBSA-N 1 0 387.378 3.140 20 0 GFADRO O=C(c1cc(O)cc(Br)c1)N1CCCN(c2cc[nH+]cc2)CC1 ZINC000640441947 565309773 /nfs/dbraw/zinc/30/97/73/565309773.db2.gz CSMGRAXUGQIMLA-UHFFFAOYSA-N 1 0 376.254 2.902 20 0 GFADRO C[NH+]1CCC(n2cc(NC(=O)NCc3cc(Br)ccn3)cn2)CC1 ZINC000640443375 565311038 /nfs/dbraw/zinc/31/10/38/565311038.db2.gz QRNRWAPAJXTGNI-UHFFFAOYSA-N 1 0 393.289 2.629 20 0 GFADRO CO[C@@H]1CCC[C@H]([C@@H](CO)[NH2+]CC(=O)Nc2ccc(C)cc2Br)C1 ZINC000661216832 565313909 /nfs/dbraw/zinc/31/39/09/565313909.db2.gz HYIWEIJDYHVEIC-JJRVBVJISA-N 1 0 399.329 2.852 20 0 GFADRO CO[C@@H]1CCC[C@@H]([C@H](CO)[NH2+]CC(=O)Nc2ccc(Br)cc2)C1 ZINC000661216951 565313951 /nfs/dbraw/zinc/31/39/51/565313951.db2.gz IEFQRSXXGBUYNZ-WQVCFCJDSA-N 1 0 385.302 2.543 20 0 GFADRO CO[C@@H]1CCC[C@H]([C@@H](CO)[NH2+]C[C@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000661217359 565314786 /nfs/dbraw/zinc/31/47/86/565314786.db2.gz IDNKWKCPKNOKKA-SZOQZIPDSA-N 1 0 392.323 2.889 20 0 GFADRO CO[C@@H]1CCC[C@@H]([C@@H](CO)[NH2+]CCC(=O)Nc2ccc(Br)cc2)C1 ZINC000661220558 565314827 /nfs/dbraw/zinc/31/48/27/565314827.db2.gz RFFMZSYZAQJDOB-KBRIMQKVSA-N 1 0 399.329 2.933 20 0 GFADRO CO[C@@H]1CCC[C@H]([C@@H](CO)[NH2+]C[C@@H](O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000661220793 565315112 /nfs/dbraw/zinc/31/51/12/565315112.db2.gz PABXQGZUEJRNLB-HNSFDTNUSA-N 1 0 392.323 2.889 20 0 GFADRO COCC[N@@H+]1CCC[C@H](NC(=O)CCc2cc(Br)cs2)C1 ZINC000593215302 565320861 /nfs/dbraw/zinc/32/08/61/565320861.db2.gz CEFKBFGJPSIWIR-ZDUSSCGKSA-N 1 0 375.332 2.670 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)N2CCC(n3cc(Br)cn3)CC2)C1 ZINC000661505869 565327113 /nfs/dbraw/zinc/32/71/13/565327113.db2.gz MNSJDEDDNXWMHW-CQSZACIVSA-N 1 0 398.349 2.865 20 0 GFADRO Cc1cc(NC(=O)CC[NH+]2CCN(c3ccc(Br)cc3)CC2)no1 ZINC000661576965 565328940 /nfs/dbraw/zinc/32/89/40/565328940.db2.gz SQNZBCVDKZHGCI-UHFFFAOYSA-N 1 0 393.285 2.896 20 0 GFADRO O=C(NC(CCC(F)(F)F)CCC(F)(F)F)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000619126733 565329761 /nfs/dbraw/zinc/32/97/61/565329761.db2.gz MFTRDLGIFYKYMF-LBPRGKRZSA-N 1 0 375.357 2.546 20 0 GFADRO C[C@@H](NC(=O)C[N@@H+]1CCC[C@@](O)(C2CC2)C1)c1ccc(Br)cc1 ZINC000661634530 565332135 /nfs/dbraw/zinc/33/21/35/565332135.db2.gz HSIDTGDLPQHPQS-ACJLOTCBSA-N 1 0 381.314 2.863 20 0 GFADRO Cc1cc(NC(=O)[C@@H](C)n2cc(C[C@@H]3CC[NH2+]C3)nn2)ccc1Br ZINC000640906999 565335985 /nfs/dbraw/zinc/33/59/85/565335985.db2.gz MJCCYSIKABEJDW-OLZOCXBDSA-N 1 0 392.301 2.701 20 0 GFADRO COCC[C@H]([NH3+])Cc1cn([C@@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)nn1 ZINC000640930767 565337351 /nfs/dbraw/zinc/33/73/51/565337351.db2.gz UCSXLIXFXBHALV-QWRGUYRKSA-N 1 0 386.283 2.691 20 0 GFADRO CCc1noc([C@@H](C)n2cc([C@@H]([NH3+])c3ccc(Br)cc3)nn2)n1 ZINC000640933079 565337571 /nfs/dbraw/zinc/33/75/71/565337571.db2.gz CNIRWBSNMMUTEQ-OTYXRUKQSA-N 1 0 377.246 2.643 20 0 GFADRO [NH3+][C@H](c1cn(Cc2cc(Br)cc3cccnc32)nn1)[C@@H]1CCCO1 ZINC000640949308 565338961 /nfs/dbraw/zinc/33/89/61/565338961.db2.gz JIOBOUUVGDPRBI-JKSUJKDBSA-N 1 0 388.269 2.816 20 0 GFADRO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)Cn1cc([C@@H]2CCC[NH2+]C2)nn1 ZINC000640984612 565339758 /nfs/dbraw/zinc/33/97/58/565339758.db2.gz RWVCGPWYYRIPLX-CYBMUJFWSA-N 1 0 382.295 2.711 20 0 GFADRO CC[NH2+]Cc1ccn(Cc2cn(Cc3c(F)cccc3Br)nn2)n1 ZINC000641131549 565349909 /nfs/dbraw/zinc/34/99/09/565349909.db2.gz LTDWFPIKHTVASQ-UHFFFAOYSA-N 1 0 393.264 2.582 20 0 GFADRO O=C(NCC12CCC[NH+]1CCC2)c1csc(I)c1 ZINC000619574123 565350100 /nfs/dbraw/zinc/35/01/00/565350100.db2.gz RBUPHHFHSVWCFP-UHFFFAOYSA-N 1 0 376.263 2.711 20 0 GFADRO Brc1ccc2oc(Cn3cc(C[C@H]4CCC[NH2+]C4)nn3)nc2c1 ZINC000641130494 565350115 /nfs/dbraw/zinc/35/01/15/565350115.db2.gz NOLKHQDIWOAZRZ-LLVKDONJSA-N 1 0 376.258 2.772 20 0 GFADRO CC[C@](C)([NH3+])c1cn([C@@H]2CCc3cc(Br)ccc3NC2=O)nn1 ZINC000641164617 565351191 /nfs/dbraw/zinc/35/11/91/565351191.db2.gz NMFYYBVNMYUPGJ-CJNGLKHVSA-N 1 0 378.274 2.751 20 0 GFADRO CS[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000593680203 565355753 /nfs/dbraw/zinc/35/57/53/565355753.db2.gz UCLLQFLOEZDYCO-CHWSQXEVSA-N 1 0 393.372 2.860 20 0 GFADRO Cc1ccc(CN(C[C@@H]2CCCO2)C[C@H]2C[NH2+]CCO2)c(Br)c1 ZINC000662281909 565357499 /nfs/dbraw/zinc/35/74/99/565357499.db2.gz MMJXHZUPUDZVSL-DLBZAZTESA-N 1 0 383.330 2.727 20 0 GFADRO Cc1cc(NC(=O)CC[NH2+][C@H]2CCOc3ccc(Br)cc32)no1 ZINC000619742570 565357876 /nfs/dbraw/zinc/35/78/76/565357876.db2.gz ICEYUVGKAICCBH-ZDUSSCGKSA-N 1 0 380.242 2.609 20 0 GFADRO C[C@@H]([NH2+]CC[C@]1(O)CCCOC1)c1ccccc1I ZINC000593719630 565358384 /nfs/dbraw/zinc/35/83/84/565358384.db2.gz GLATWYUGVWKUDO-IUODEOHRSA-N 1 0 375.250 2.873 20 0 GFADRO CCN1C[C@H](C[NH2+][C@@H](C)c2ccc(F)c(I)c2)CC1=O ZINC000593718238 565358544 /nfs/dbraw/zinc/35/85/44/565358544.db2.gz CMAQRVYNKBWGGA-QWRGUYRKSA-N 1 0 390.240 2.949 20 0 GFADRO NC(=O)[C@H](c1ccc(Br)cc1)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662296479 565359329 /nfs/dbraw/zinc/35/93/29/565359329.db2.gz KYJGEFYQYOOUMW-WBVHZDCISA-N 1 0 380.330 2.687 20 0 GFADRO NC(=O)[C@@H](c1ccc(Br)cc1F)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662291783 565359404 /nfs/dbraw/zinc/35/94/04/565359404.db2.gz KHOOAPJEPJYDFT-CXAGYDPISA-N 1 0 398.320 2.826 20 0 GFADRO COC(=O)c1cc(NC(=O)NCCC2(C[NH3+])CC2)c(C)cc1Br ZINC000593761016 565359891 /nfs/dbraw/zinc/35/98/91/565359891.db2.gz MMACIVKKENUNKV-UHFFFAOYSA-N 1 0 384.274 2.795 20 0 GFADRO CN(CCS(=O)(=O)c1cc(Cl)ccc1Cl)[C@H](C[NH3+])C(F)(F)F ZINC000662329752 565360632 /nfs/dbraw/zinc/36/06/32/565360632.db2.gz MPCVLDPLWGPPPJ-LLVKDONJSA-N 1 0 379.231 2.589 20 0 GFADRO C[C@H]([NH3+])C1CCN(C(=O)[C@@H]2CCO[C@H]2c2cncc(Br)c2)CC1 ZINC000662410824 565366510 /nfs/dbraw/zinc/36/65/10/565366510.db2.gz VNHYPTRZBCUCGA-XZJROXQQSA-N 1 0 382.302 2.508 20 0 GFADRO O=C(NCc1cc(Cl)cc(I)c1)[C@H]1CCC[NH2+]CC1 ZINC000593907244 565367121 /nfs/dbraw/zinc/36/71/21/565367121.db2.gz NPOPNSVNBITQQY-NSHDSACASA-N 1 0 392.668 2.951 20 0 GFADRO CN(Cc1ccccc1Br)C(=O)c1cn([C@@H]2CCC[NH2+]CC2)nn1 ZINC000662441561 565368920 /nfs/dbraw/zinc/36/89/20/565368920.db2.gz PHONDNSFGZHODL-CQSZACIVSA-N 1 0 392.301 2.627 20 0 GFADRO O=C(N[C@@H]1CCN(c2ccccc2Cl)C1=O)c1cc2c(s1)CC[NH2+]C2 ZINC000662454327 565370344 /nfs/dbraw/zinc/37/03/44/565370344.db2.gz JXVFJQJELPFLTP-CYBMUJFWSA-N 1 0 375.881 2.583 20 0 GFADRO CCOC(=O)CC[N@H+](Cc1cc(=O)n2cc(Br)ccc2n1)C(C)C ZINC000594052708 565373078 /nfs/dbraw/zinc/37/30/78/565373078.db2.gz IZBYAPCANLPYLV-UHFFFAOYSA-N 1 0 396.285 2.621 20 0 GFADRO O=C(c1cc(-c2ccc(Br)cc2)no1)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000662519642 565373706 /nfs/dbraw/zinc/37/37/06/565373706.db2.gz TXMRLRVNWGOBKV-IUODEOHRSA-N 1 0 376.254 2.928 20 0 GFADRO COc1cc(NC(=O)c2cn[nH]c2[C@@H]2CC[NH2+]C2)cc(OC)c1Br ZINC000662510631 565374077 /nfs/dbraw/zinc/37/40/77/565374077.db2.gz CYRBKYWUQKIYPI-SECBINFHSA-N 1 0 395.257 2.519 20 0 GFADRO C[NH+](C)Cc1cccc(CNC(=O)[C@H](N)c2ccccc2Br)c1 ZINC000662524902 565374705 /nfs/dbraw/zinc/37/47/05/565374705.db2.gz CEEHRXXZVHCYBF-QGZVFWFLSA-N 1 0 376.298 2.827 20 0 GFADRO O=C(c1cc(Br)cc2c1OCCO2)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000662523010 565375232 /nfs/dbraw/zinc/37/52/32/565375232.db2.gz NYSLJRLKXFDKLZ-STQMWFEESA-N 1 0 395.297 2.682 20 0 GFADRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)Cc2ccc(Br)c(Br)c2)C1 ZINC000662569819 565376857 /nfs/dbraw/zinc/37/68/57/565376857.db2.gz CKYVZQXPCRNRKG-GHMZBOCLSA-N 1 0 390.119 2.998 20 0 GFADRO Cc1c(Br)cncc1C(=O)N1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000662574173 565378618 /nfs/dbraw/zinc/37/86/18/565378618.db2.gz IXNDCWXAOLVODS-HZPDHXFCSA-N 1 0 382.302 2.511 20 0 GFADRO C[NH+](C)CCn1ccc(C(=O)N2CC[C@H]2c2ccc(Br)cc2)n1 ZINC000620334060 565378733 /nfs/dbraw/zinc/37/87/33/565378733.db2.gz SNNUGGLEZDDNOO-INIZCTEOSA-N 1 0 377.286 2.794 20 0 GFADRO [NH3+]C1(CNC(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)CCCC1 ZINC000662651971 565380856 /nfs/dbraw/zinc/38/08/56/565380856.db2.gz IQGGMPRFNDLDRS-HNNXBMFYSA-N 1 0 384.307 2.986 20 0 GFADRO CC(C)([NH3+])c1cc(C(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)on1 ZINC000662673396 565380915 /nfs/dbraw/zinc/38/09/15/565380915.db2.gz JUKCPADKQRFCQS-UHFFFAOYSA-N 1 0 384.267 2.533 20 0 GFADRO [NH3+]C1(CNC(=O)[C@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)CCCC1 ZINC000662652988 565381032 /nfs/dbraw/zinc/38/10/32/565381032.db2.gz TUZHOAGCCMENOJ-OAHLLOKOSA-N 1 0 384.307 2.986 20 0 GFADRO C[NH+](C)C[C@H](CNS(=O)(=O)C[C@]1(C)CC1(F)F)c1ccc(Cl)cc1 ZINC000641553059 565381777 /nfs/dbraw/zinc/38/17/77/565381777.db2.gz ARYZDRZRZPVXDA-ZFWWWQNUSA-N 1 0 380.888 2.950 20 0 GFADRO Cc1c(C(=O)N2CC3CC2(C[NH3+])C3)cnn1-c1ccc(Br)cc1 ZINC000662676580 565381798 /nfs/dbraw/zinc/38/17/98/565381798.db2.gz GEMRABSCJDRMCE-UHFFFAOYSA-N 1 0 375.270 2.507 20 0 GFADRO C[NH+](C)CC(=O)N1CCc2cc(Br)c(Br)cc2C1 ZINC000620360080 565382035 /nfs/dbraw/zinc/38/20/35/565382035.db2.gz TYTABIFIMJSLLB-UHFFFAOYSA-N 1 0 376.092 2.658 20 0 GFADRO [NH3+]CC12CC(C1)CN2C(=O)[C@@H](c1ccc(Br)cc1)N1CCCC1 ZINC000662684613 565382420 /nfs/dbraw/zinc/38/24/20/565382420.db2.gz XIUZKHFEKJMINY-CRPOECCBSA-N 1 0 378.314 2.536 20 0 GFADRO CC(C)[C@H]([NH3+])CCNC(=O)[C@@H](NC(=O)c1ccccc1Br)C(C)C ZINC000662725405 565383547 /nfs/dbraw/zinc/38/35/47/565383547.db2.gz ZZPJPLVSPNLWIT-CVEARBPZSA-N 1 0 398.345 2.693 20 0 GFADRO CN[C@H](C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1)c1cccc(Cl)c1Cl ZINC000662707515 565383592 /nfs/dbraw/zinc/38/35/92/565383592.db2.gz GGKHNVFUPPQPGY-DYVFJYSZSA-N 1 0 386.323 2.623 20 0 GFADRO COC(=O)C[C@H](NC(=O)[C@H]1C[C@]12CCC[NH2+]C2)c1ccc(Br)cc1 ZINC000594429989 565384628 /nfs/dbraw/zinc/38/46/28/565384628.db2.gz XEVOGLACLDPVLC-VKJFTORMSA-N 1 0 395.297 2.559 20 0 GFADRO C[NH+]1CCC2(CCN(S(=O)(=O)Cc3cccc(Br)c3)C2)CC1 ZINC000641587287 565384724 /nfs/dbraw/zinc/38/47/24/565384724.db2.gz UQNZLJMVURUNAB-UHFFFAOYSA-N 1 0 387.343 2.697 20 0 GFADRO C[NH+]1CCC2(CCN(S(=O)(=O)c3ccc(Br)s3)C2)CC1 ZINC000641588606 565385019 /nfs/dbraw/zinc/38/50/19/565385019.db2.gz APAMMIJRMBDLHP-UHFFFAOYSA-N 1 0 379.345 2.617 20 0 GFADRO C[NH+]1CCC2(CCN(S(=O)(=O)c3ccc(F)cc3C(F)(F)F)C2)CC1 ZINC000641589928 565385101 /nfs/dbraw/zinc/38/51/01/565385101.db2.gz OJMIPSHBJQCCMC-UHFFFAOYSA-N 1 0 380.407 2.951 20 0 GFADRO O=C(Nc1cc(F)c(I)c(F)c1)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000594436131 565385594 /nfs/dbraw/zinc/38/55/94/565385594.db2.gz IDLILNXGVIBHEI-LKFCYVNXSA-N 1 0 392.187 2.898 20 0 GFADRO [NH3+]Cc1cn([C@H]2CCCN(C(=O)c3c(Cl)cccc3Br)C2)nn1 ZINC000662816711 565385847 /nfs/dbraw/zinc/38/58/47/565385847.db2.gz YUCURJFAIPKLPH-NSHDSACASA-N 1 0 398.692 2.630 20 0 GFADRO O=C(NCc1nc(-c2cccc(Br)c2)no1)C1([NH2+]C2CC2)CCC1 ZINC000662811367 565386314 /nfs/dbraw/zinc/38/63/14/565386314.db2.gz XEPPUZNPMJMWOE-UHFFFAOYSA-N 1 0 391.269 2.790 20 0 GFADRO O=C(N[C@@H]1CC[NH2+]C2(CCC2)C1)[C@@H]1CCO[C@H]1c1cncc(Br)c1 ZINC000662819049 565386607 /nfs/dbraw/zinc/38/66/07/565386607.db2.gz BGYZWWLGUQYITC-OAGGEKHMSA-N 1 0 394.313 2.713 20 0 GFADRO CN(C)c1ncc(Br)cc1C(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662843280 565387547 /nfs/dbraw/zinc/38/75/47/565387547.db2.gz RSEGBZQZWQXPNV-CQSZACIVSA-N 1 0 395.345 2.762 20 0 GFADRO C[NH2+]C[C@H](C)NC(=O)c1nn(-c2ccc(Br)cc2)c2c1CCCC2 ZINC000662960004 565391250 /nfs/dbraw/zinc/39/12/50/565391250.db2.gz NWIPYWIUXQRMBB-LBPRGKRZSA-N 1 0 391.313 2.851 20 0 GFADRO O=C(N[C@H]1CCC[N@H+](CCN2CCOCC2)C1)c1ccc(Cl)c(Cl)c1 ZINC000641663955 565391590 /nfs/dbraw/zinc/39/15/90/565391590.db2.gz GBKZTDLRRSTUDE-HNNXBMFYSA-N 1 0 386.323 2.520 20 0 GFADRO C[C@]1(NC(=O)c2ccc(NC(=O)c3ccc(Br)o3)cc2)CC[NH2+]C1 ZINC000663007311 565392549 /nfs/dbraw/zinc/39/25/49/565392549.db2.gz ARBKMUZIMCQKKG-KRWDZBQOSA-N 1 0 392.253 2.776 20 0 GFADRO C[NH+](C)CCC[C@@H]1CN(c2ncnc(C(F)(F)F)c2Br)CCO1 ZINC000641672132 565393040 /nfs/dbraw/zinc/39/30/40/565393040.db2.gz LZAICBCAAGYLLM-SNVBAGLBSA-N 1 0 397.239 2.805 20 0 GFADRO Cc1cc(COc2ccc(C(=O)N[C@]3(C)CC[NH2+]C3)cc2Br)no1 ZINC000663012326 565393354 /nfs/dbraw/zinc/39/33/54/565393354.db2.gz VYPFDEFZRANWLI-QGZVFWFLSA-N 1 0 394.269 2.806 20 0 GFADRO C[N@H+](CC(=O)N1CCOc2cc(Br)ccc2C1)[C@H]1CCSC1 ZINC000620708672 565393961 /nfs/dbraw/zinc/39/39/61/565393961.db2.gz PUWJWTCAPJWBNU-AWEZNQCLSA-N 1 0 385.327 2.607 20 0 GFADRO CN(CCCC[NH+]1CCCCC1)S(=O)(=O)c1cnccc1C(F)(F)F ZINC000641698330 565395847 /nfs/dbraw/zinc/39/58/47/565395847.db2.gz VIDRILWBGGZFHT-UHFFFAOYSA-N 1 0 379.448 2.987 20 0 GFADRO COc1ccc(S(=O)(=O)N2CCC([NH2+]Cc3ccc(Cl)o3)CC2)cc1 ZINC000620759397 565396281 /nfs/dbraw/zinc/39/62/81/565396281.db2.gz XNXJUOBTINDHTO-UHFFFAOYSA-N 1 0 384.885 2.885 20 0 GFADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+][C@@H](CO)CC1CCC1 ZINC000641756082 565397354 /nfs/dbraw/zinc/39/73/54/565397354.db2.gz AJNDVOWHEAUUKM-MLGOLLRUSA-N 1 0 399.329 2.603 20 0 GFADRO Ic1cnc(C[NH2+][C@@H]2CCCN3CCCC[C@H]23)s1 ZINC000594524195 565398500 /nfs/dbraw/zinc/39/85/00/565398500.db2.gz WZNJRMUGMGRRPK-GHMZBOCLSA-N 1 0 377.295 2.854 20 0 GFADRO FC(F)(F)c1ccc(C[NH2+][C@H]2CCCN(CCN3CCOCC3)C2)s1 ZINC000641786868 565399969 /nfs/dbraw/zinc/39/99/69/565399969.db2.gz IJBDUXDDSKVNKN-AWEZNQCLSA-N 1 0 377.476 2.653 20 0 GFADRO COC(=O)[C@H](NC1CC[NH+]([C@@H]2CCOC2)CC1)c1ccc(Br)cc1 ZINC000594611765 565402707 /nfs/dbraw/zinc/40/27/07/565402707.db2.gz KHXGQFNICALBMO-IAGOWNOFSA-N 1 0 397.313 2.506 20 0 GFADRO C[C@H](Oc1ccc(F)cc1Br)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000594649677 565403074 /nfs/dbraw/zinc/40/30/74/565403074.db2.gz ZNMXWGBVFHLYDP-SMDDNHRTSA-N 1 0 385.277 2.956 20 0 GFADRO C[NH+](C)CCC[C@H]1CN(C(=O)Cc2ccc(Br)cc2F)CCO1 ZINC000620978962 565403383 /nfs/dbraw/zinc/40/33/83/565403383.db2.gz BEXQUKUUZXVRTC-HNNXBMFYSA-N 1 0 387.293 2.700 20 0 GFADRO C[C@H](Oc1cccc(Br)c1)C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000620969445 565403512 /nfs/dbraw/zinc/40/35/12/565403512.db2.gz BHBRIKFLSGPJRD-YOEHRIQHSA-N 1 0 399.329 2.786 20 0 GFADRO O=C(Cc1ccc(Br)cc1O)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000621108748 565406510 /nfs/dbraw/zinc/40/65/10/565406510.db2.gz HTTNOAGZPUSALD-AWEZNQCLSA-N 1 0 381.314 2.935 20 0 GFADRO CCOc1cc(CN2CC[NH+](C[C@@H]3CCCO3)CC2)cc(Br)c1O ZINC000642338540 565410830 /nfs/dbraw/zinc/41/08/30/565410830.db2.gz HBCFUJIBQNLSLD-HNNXBMFYSA-N 1 0 399.329 2.850 20 0 GFADRO CCCOc1ccc(Br)cc1C[NH2+]CCCN(C)S(C)(=O)=O ZINC000642342288 565411083 /nfs/dbraw/zinc/41/10/83/565411083.db2.gz QSUHXPDGVYRKFW-UHFFFAOYSA-N 1 0 393.347 2.609 20 0 GFADRO CN([C@H](C[NH3+])C(F)(F)F)S(=O)(=O)c1c(Cl)cccc1Br ZINC000663309698 565411460 /nfs/dbraw/zinc/41/14/60/565411460.db2.gz QJCYSFPECOXIMF-MRVPVSSYSA-N 1 0 395.628 2.613 20 0 GFADRO C[C@H]([NH2+]C[C@@H](O)COc1ccc(Cl)cc1Br)c1nccn1C ZINC000663369681 565414762 /nfs/dbraw/zinc/41/47/62/565414762.db2.gz DZBKTQCLKFMTAE-CMPLNLGQSA-N 1 0 388.693 2.927 20 0 GFADRO CC[C@H](Cc1ccc(Br)cc1)[NH2+]C[C@H](O)COC1CCOCC1 ZINC000663368617 565414818 /nfs/dbraw/zinc/41/48/18/565414818.db2.gz LBMSEGZGOSLCNU-SJORKVTESA-N 1 0 386.330 2.916 20 0 GFADRO CC1(C)OCC[C@@H]1C[NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000663370023 565415441 /nfs/dbraw/zinc/41/54/41/565415441.db2.gz ISWPZWIUZICHEA-BXUZGUMPSA-N 1 0 376.266 2.733 20 0 GFADRO CC[C@@H]1CN(C(=O)C(=O)NC[C@H](C)c2c(Cl)cccc2Cl)CC[C@@H]1[NH3+] ZINC000642756875 565417421 /nfs/dbraw/zinc/41/74/21/565417421.db2.gz QGPANKUKUFZNLP-ZOWXZIJZSA-N 1 0 386.323 2.799 20 0 GFADRO CCCOc1c(Br)cc(CN2CCOC3(C[NH2+]C3)C2)cc1OCC ZINC000663514306 565424395 /nfs/dbraw/zinc/42/43/95/565424395.db2.gz TWTWVYAARMRUIT-UHFFFAOYSA-N 1 0 399.329 2.811 20 0 GFADRO CCCn1cc(C[N@@H+]2CCCN(c3cc(Br)cnn3)CC2)cn1 ZINC000663559925 565426431 /nfs/dbraw/zinc/42/64/31/565426431.db2.gz IQFRBVZUEFXGCA-UHFFFAOYSA-N 1 0 379.306 2.558 20 0 GFADRO COC[C@]1(C(=O)NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)CC[NH2+]C1 ZINC000643477158 565434558 /nfs/dbraw/zinc/43/45/58/565434558.db2.gz RZILWDIBUBIPEK-BREBYQMCSA-N 1 0 376.341 2.638 20 0 GFADRO CCS(=O)(=O)C[C@H](C)[NH2+][C@H]1CCc2ccc(I)cc21 ZINC000595018697 565443600 /nfs/dbraw/zinc/44/36/00/565443600.db2.gz DPUZTCWMVYPQSO-HZMBPMFUSA-N 1 0 393.290 2.691 20 0 GFADRO COC(=O)[C@@H]1C[C@H]1[C@H](C)[NH2+]Cc1nnc2c(Cl)cc(C(F)(F)F)cn12 ZINC000594915895 565435445 /nfs/dbraw/zinc/43/54/45/565435445.db2.gz XDRQPQZFCKDAKX-UJNFCWOMSA-N 1 0 376.766 2.689 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)C2(c3ccc(Br)cc3)CCCC2)CCCO1 ZINC000643605663 565435514 /nfs/dbraw/zinc/43/55/14/565435514.db2.gz ZJMYOMQLWCQDQW-INIZCTEOSA-N 1 0 381.314 2.837 20 0 GFADRO O=C(CNC(=O)c1ccc(Cl)c(Cl)c1)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000643597805 565435529 /nfs/dbraw/zinc/43/55/29/565435529.db2.gz ZJBNGLPINHYGBE-CZUORRHYSA-N 1 0 384.307 2.714 20 0 GFADRO O=C(CC[C@@H]1CCC[NH2+]C1)NCc1nc(-c2cccc(Br)c2)no1 ZINC000621663522 565436324 /nfs/dbraw/zinc/43/63/24/565436324.db2.gz PQIHDLOHDMAHST-LBPRGKRZSA-N 1 0 393.285 2.895 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000621684969 565437086 /nfs/dbraw/zinc/43/70/86/565437086.db2.gz WJITXUMARYWZMR-UGSOOPFHSA-N 1 0 389.297 2.897 20 0 GFADRO CCO[C@H]1C[C@H]([NH2+]Cc2cc(I)c(OC)c(OC)c2)C1 ZINC000594968004 565438302 /nfs/dbraw/zinc/43/83/02/565438302.db2.gz CLCSEUYKVSWVFK-HAQNSBGRSA-N 1 0 391.249 2.966 20 0 GFADRO CO[C@@H]1CCC[C@@H]([C@@H](CO)[NH2+]Cc2ccc(I)cc2)C1 ZINC000594965019 565438786 /nfs/dbraw/zinc/43/87/86/565438786.db2.gz NKEUAQDANPYHCZ-FVQBIDKESA-N 1 0 389.277 2.947 20 0 GFADRO COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]C[C@@H](CO)Cc1cc(Br)ccc1F ZINC000594959370 565438982 /nfs/dbraw/zinc/43/89/82/565438982.db2.gz QKXSLJIRHGAXSI-BAESOJJISA-N 1 0 388.277 2.526 20 0 GFADRO Ic1ccc(CC[NH2+]Cc2cn(C3CCC3)nn2)cc1 ZINC000594994512 565439548 /nfs/dbraw/zinc/43/95/48/565439548.db2.gz LMKXWNIEGYDARB-UHFFFAOYSA-N 1 0 382.249 2.940 20 0 GFADRO O[C@@H]1C[C@@H]([NH2+]Cc2c(F)ccc(I)c2F)C12CCC2 ZINC000594986852 565439661 /nfs/dbraw/zinc/43/96/61/565439661.db2.gz IDAADBXUCGAHBP-VXGBXAGGSA-N 1 0 379.188 2.963 20 0 GFADRO Ic1ccc2c(c1)[C@H]([NH2+]CCOC[C@@H]1CCOC1)CC2 ZINC000595015387 565442252 /nfs/dbraw/zinc/44/22/52/565442252.db2.gz DGYXAXFFHABHMR-MLGOLLRUSA-N 1 0 387.261 2.921 20 0 GFADRO CC(C)[NH2+][C@H]1CCCN(C(=O)c2cc(Br)cc3c2OCCO3)C1 ZINC000621814887 565443454 /nfs/dbraw/zinc/44/34/54/565443454.db2.gz UPIUQNRFGRKDER-ZDUSSCGKSA-N 1 0 383.286 2.823 20 0 GFADRO C[C@H](Cn1cncn1)[NH2+]Cc1ccc(Cl)cc1I ZINC000595037707 565444370 /nfs/dbraw/zinc/44/43/70/565444370.db2.gz BRDQOOGQLFEXNK-SECBINFHSA-N 1 0 376.629 2.714 20 0 GFADRO CCc1nncn1CC[NH2+][C@@H]1CCc2ccc(I)cc21 ZINC000595029803 565444871 /nfs/dbraw/zinc/44/48/71/565444871.db2.gz YXPDHSWVTIUUDK-CQSZACIVSA-N 1 0 382.249 2.722 20 0 GFADRO CCN(C(=O)N[C@H]1CCN(c2ccccc2Br)C1)[C@H]1CC[N@H+](C)C1 ZINC000664085035 565452505 /nfs/dbraw/zinc/45/25/05/565452505.db2.gz JBDNWENDXMBARB-GJZGRUSLSA-N 1 0 395.345 2.763 20 0 GFADRO CC1(C)C[NH2+][C@@H]1C(=O)N1CCC(C(=O)Nc2cccc(Br)c2)CC1 ZINC000643985692 565453966 /nfs/dbraw/zinc/45/39/66/565453966.db2.gz MSOAEQQNZPRVJT-OAHLLOKOSA-N 1 0 394.313 2.624 20 0 GFADRO [NH3+][C@]12CCC[C@@H]1CN(S(=O)(=O)c1ccc(Br)c(Cl)c1)C2 ZINC000622013542 565455542 /nfs/dbraw/zinc/45/55/42/565455542.db2.gz RAFLYMHFEZBDPA-RNCFNFMXSA-N 1 0 379.707 2.604 20 0 GFADRO [NH3+][C@@]12CCC[C@H]1CN(S(=O)(=O)c1ccc(Cl)c(Br)c1)C2 ZINC000622014718 565455642 /nfs/dbraw/zinc/45/56/42/565455642.db2.gz JUPIETMIJBKHRR-TVQRCGJNSA-N 1 0 379.707 2.604 20 0 GFADRO C[C@@H]1CCCN(C(=O)c2cn(-c3ccc(Br)cc3)cn2)[C@H]1C[NH3+] ZINC000644063626 565456024 /nfs/dbraw/zinc/45/60/24/565456024.db2.gz OENGNKNFOHAFKI-WBMJQRKESA-N 1 0 377.286 2.834 20 0 GFADRO COc1ccc([C@@H](C)NC(=O)[C@@H]2C[NH2+]CCC2(F)F)cc1Br ZINC000644041570 565456441 /nfs/dbraw/zinc/45/64/41/565456441.db2.gz ZDRVUKNCFMMAEI-KOLCDFICSA-N 1 0 377.229 2.880 20 0 GFADRO C[NH2+]C[C@@H](C)NC(=O)Nc1nc2ccc(I)cc2s1 ZINC000595234000 565456668 /nfs/dbraw/zinc/45/66/68/565456668.db2.gz ZPWXOQTVTRHCPB-SSDOTTSWSA-N 1 0 390.250 2.630 20 0 GFADRO C[C@@H]1CCN(C(=O)CCC[S@](=O)c2ccc(Br)cc2)C[C@@H]1[NH3+] ZINC000595228737 565457073 /nfs/dbraw/zinc/45/70/73/565457073.db2.gz JXABLCDOAPDTOQ-PVSQZPHNSA-N 1 0 387.343 2.533 20 0 GFADRO C[N@H+](Cc1ccccc1)C1CN(C(=O)c2cc(Br)c[nH]c2=O)C1 ZINC000622049505 565459412 /nfs/dbraw/zinc/45/94/12/565459412.db2.gz HQFKNYXBGRZBSX-UHFFFAOYSA-N 1 0 376.254 2.506 20 0 GFADRO CC(C)[C@H]([NH3+])CCNC(=O)NCCc1ccc(I)cc1 ZINC000595274347 565459747 /nfs/dbraw/zinc/45/97/47/565459747.db2.gz WLRKRGHAWDGJIK-CQSZACIVSA-N 1 0 389.281 2.506 20 0 GFADRO O=C(N[C@@H]1CC12CC[NH2+]CC2)C1CCN(C(=O)c2ccc(Cl)s2)CC1 ZINC000644146560 565461389 /nfs/dbraw/zinc/46/13/89/565461389.db2.gz UPRREMLHWSMNHB-CQSZACIVSA-N 1 0 381.929 2.512 20 0 GFADRO O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1cc2c(cc1Br)OCO2 ZINC000622130756 565463385 /nfs/dbraw/zinc/46/33/85/565463385.db2.gz VHEDHBADTZFTJN-ZIAGYGMSSA-N 1 0 381.270 2.925 20 0 GFADRO C[N@@H+]1C[C@H]2CCN(S(=O)(=O)Cc3ccc(Cl)cc3Br)[C@@H]2C1 ZINC000644301607 565470933 /nfs/dbraw/zinc/47/09/33/565470933.db2.gz QGBQHEHSPDXBJU-QMTHXVAHSA-N 1 0 393.734 2.568 20 0 GFADRO C[N@H+]1C[C@H]2[C@@H](CCN2S(=O)(=O)c2csc(-c3ccc(Cl)cc3)n2)C1 ZINC000644299396 565471538 /nfs/dbraw/zinc/47/15/38/565471538.db2.gz JWYLZMJXUVQCTA-JSGCOSHPSA-N 1 0 383.926 2.788 20 0 GFADRO CS(=O)(=O)N1CCC([NH2+]C2(Cc3ccccc3Br)CC2)CC1 ZINC000644558453 565481555 /nfs/dbraw/zinc/48/15/55/565481555.db2.gz PKWGXWBNGZMMEQ-UHFFFAOYSA-N 1 0 387.343 2.538 20 0 GFADRO CN(C)C(=O)C1(C[NH2+]C[C@@H](O)COc2ccc(Cl)c(Cl)c2)CCCC1 ZINC000644564743 565481841 /nfs/dbraw/zinc/48/18/41/565481841.db2.gz PDBXCLPQJTYFDS-CYBMUJFWSA-N 1 0 389.323 2.971 20 0 GFADRO CN1CCC[C@@H]([NH2+]C[C@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000644548109 565481888 /nfs/dbraw/zinc/48/18/88/565481888.db2.gz PBOCOLFXTBAPPS-OLZOCXBDSA-N 1 0 377.710 2.526 20 0 GFADRO CN(C)C(=O)[C@@H]1CCC[C@H]([NH2+]C[C@@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000644568003 565482998 /nfs/dbraw/zinc/48/29/98/565482998.db2.gz XORYDKVTIUQHHT-VHDGCEQUSA-N 1 0 389.323 2.970 20 0 GFADRO COCC[N@@H+]1CCC[C@H](NC(=O)c2c(C)ccc(Br)c2OC)C1 ZINC000644628027 565484874 /nfs/dbraw/zinc/48/48/74/565484874.db2.gz GVWYPRIOYVXNRI-ZDUSSCGKSA-N 1 0 385.302 2.607 20 0 GFADRO CNC(=O)C1CCC([NH2+]C[C@@H](O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000644621749 565485443 /nfs/dbraw/zinc/48/54/43/565485443.db2.gz BTNLPYZEHQXOHT-WXRRBKDZSA-N 1 0 375.296 2.628 20 0 GFADRO O=C(c1nc(C2CC2)ncc1Br)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000623054390 565492860 /nfs/dbraw/zinc/49/28/60/565492860.db2.gz LZQUUJCZEOMPNL-AWEZNQCLSA-N 1 0 379.302 2.721 20 0 GFADRO CCOCCOc1ccc(Br)cc1C[NH2+]CCc1cncn1C ZINC000623086337 565494864 /nfs/dbraw/zinc/49/48/64/565494864.db2.gz LAXDPRBEEIWHMD-UHFFFAOYSA-N 1 0 382.302 2.930 20 0 GFADRO COC(=O)[C@@H](c1cccc(Cl)c1Cl)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000595864652 565495325 /nfs/dbraw/zinc/49/53/25/565495325.db2.gz VCKCPLPHYZFYFA-SUMWQHHRSA-N 1 0 387.307 2.739 20 0 GFADRO COC(=O)[C@H](c1cc(Cl)cc(Cl)c1)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000595862581 565495395 /nfs/dbraw/zinc/49/53/95/565495395.db2.gz DJUNSHCPYJOENA-IRXDYDNUSA-N 1 0 387.307 2.739 20 0 GFADRO Cc1cc(I)ccc1NC(=O)c1cn[nH]c1[C@H]1CC[NH2+]C1 ZINC000595928846 565499054 /nfs/dbraw/zinc/49/90/54/565499054.db2.gz AWTGKIHAVWIZNW-JTQLQIEISA-N 1 0 396.232 2.652 20 0 GFADRO O=C(c1c[nH]nc1[C@@H]1CC[NH2+]C1)N1CCc2ccc(F)c(Br)c2C1 ZINC000623232576 565500138 /nfs/dbraw/zinc/50/01/38/565500138.db2.gz QQUHAVIBYDMGDI-LLVKDONJSA-N 1 0 393.260 2.587 20 0 GFADRO COC(=O)[C@H](NC(=O)C[C@@H](C[NH3+])CC(C)C)c1ccc(Br)cc1 ZINC000595933944 565500202 /nfs/dbraw/zinc/50/02/02/565500202.db2.gz SYRYPNWNEGKLLF-BLLLJJGKSA-N 1 0 385.302 2.791 20 0 GFADRO C[C@H]1C[C@@H](C(=O)NCc2cc(Cl)ccc2I)CC[NH2+]1 ZINC000595936649 565500273 /nfs/dbraw/zinc/50/02/73/565500273.db2.gz CHQAMQTVZNVXRR-UWVGGRQHSA-N 1 0 392.668 2.949 20 0 GFADRO Cc1ccc(NC(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)cc1Br ZINC000665449073 565500845 /nfs/dbraw/zinc/50/08/45/565500845.db2.gz UFCGEIHMQGYWPY-HNNXBMFYSA-N 1 0 382.302 2.820 20 0 GFADRO CCC[NH+]1CCC(NC(=O)c2cc(Br)cc3[nH]c(=O)[nH]c32)CC1 ZINC000665464099 565501425 /nfs/dbraw/zinc/50/14/25/565501425.db2.gz WCWSWEMAUPTBTB-UHFFFAOYSA-N 1 0 381.274 2.635 20 0 GFADRO Brc1ccc(-c2noc(-c3cn(C[C@@H]4CCC[NH2+]4)nn3)n2)cc1 ZINC000644924283 565502521 /nfs/dbraw/zinc/50/25/21/565502521.db2.gz GFKHITCPCFGJIY-LBPRGKRZSA-N 1 0 375.230 2.510 20 0 GFADRO C[NH+](C)CC(C)(C)CNC(=O)[C@@H]1CCO[C@H]1c1cncc(Br)c1 ZINC000665529912 565503032 /nfs/dbraw/zinc/50/30/32/565503032.db2.gz XSPJRXHYRFORDA-CABCVRRESA-N 1 0 384.318 2.626 20 0 GFADRO C[NH2+]C[C@@H](C)NC(=O)c1cc(I)cc(C(F)(F)F)c1 ZINC000595982343 565503445 /nfs/dbraw/zinc/50/34/45/565503445.db2.gz IRGPNLQMIVJZIK-SSDOTTSWSA-N 1 0 386.155 2.648 20 0 GFADRO COC(=O)c1sc2c(c1Br)CN(C(=O)[C@@H]([NH3+])CC(C)C)C2 ZINC000595988808 565503677 /nfs/dbraw/zinc/50/36/77/565503677.db2.gz DAQKORVIVIEMTH-VIFPVBQESA-N 1 0 375.288 2.513 20 0 GFADRO C[NH+](C)CCN1CCN(C(=O)c2cc(Br)c3ccccc3c2)CC1 ZINC000644946454 565503736 /nfs/dbraw/zinc/50/37/36/565503736.db2.gz PODYBHOJPOQAAJ-UHFFFAOYSA-N 1 0 390.325 2.922 20 0 GFADRO CC(C)C[NH+]1CCN(C(=O)[C@@H]2CCO[C@H]2c2cncc(Br)c2)CC1 ZINC000665530755 565503871 /nfs/dbraw/zinc/50/38/71/565503871.db2.gz AKXZDSUJSYKIDJ-SJORKVTESA-N 1 0 396.329 2.722 20 0 GFADRO Brc1sccc1C[NH2+]C[C@]1(N2CCOCC2)CCSC1 ZINC000623372551 565505219 /nfs/dbraw/zinc/50/52/19/565505219.db2.gz ZQDCCUGXVOEEMM-CQSZACIVSA-N 1 0 377.373 2.808 20 0 GFADRO C[C@@H]([NH2+]Cc1c[nH]nc1-c1ccc(Br)s1)[C@H]1CN(C)CCO1 ZINC000623454645 565512235 /nfs/dbraw/zinc/51/22/35/565512235.db2.gz MVTLNHIJPJMGKP-ZYHUDNBSSA-N 1 0 385.331 2.709 20 0 GFADRO C[NH2+][C@H](CC(C)(C)C)C(=O)NCC(=O)Nc1ccc(Br)cc1C ZINC000645163505 565514464 /nfs/dbraw/zinc/51/44/64/565514464.db2.gz CILTVCBQULRFDT-CQSZACIVSA-N 1 0 384.318 2.836 20 0 GFADRO COc1cc(CNC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)c(Br)cc1O ZINC000645183246 565515187 /nfs/dbraw/zinc/51/51/87/565515187.db2.gz YURMAMSRRXJZTA-ZIAGYGMSSA-N 1 0 398.301 2.589 20 0 GFADRO CC[N@@H+]1CC[C@H]2OCCN(C[C@@H](O)COc3ccc(Cl)cc3Cl)[C@H]2C1 ZINC000645178138 565515845 /nfs/dbraw/zinc/51/58/45/565515845.db2.gz YCRJZQJTEVXNGO-UWWQBHOKSA-N 1 0 389.323 2.528 20 0 GFADRO C[C@H](NC(=O)N1CN(CC[NH+](C)C)C(=O)[C@@H]1C)c1cc(Cl)ccc1Cl ZINC000645185060 565515927 /nfs/dbraw/zinc/51/59/27/565515927.db2.gz JHJHCSVBDQWTAL-RYUDHWBXSA-N 1 0 387.311 2.816 20 0 GFADRO FC(F)CN1CCC[C@H]1C[NH2+]Cc1cc2c(cc1Br)OCO2 ZINC000623626900 565521605 /nfs/dbraw/zinc/52/16/05/565521605.db2.gz JEDKZWDEBCPVHJ-NSHDSACASA-N 1 0 377.229 2.997 20 0 GFADRO Cc1c([C@H](C)[NH2+]C[C@@H]2CCCNC2=O)nnn1-c1cccc(Br)c1 ZINC000666188267 565526565 /nfs/dbraw/zinc/52/65/65/565526565.db2.gz YAZWNRAUMGODOO-AAEUAGOBSA-N 1 0 392.301 2.515 20 0 GFADRO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)Nc1ccc(F)c(Br)c1 ZINC000666225651 565527609 /nfs/dbraw/zinc/52/76/09/565527609.db2.gz GZVLUODPYSEGKS-LBPRGKRZSA-N 1 0 389.313 2.982 20 0 GFADRO CCOc1cc(C[NH2+][C@@H]2CCOC[C@H]2O)cc(Br)c1OC(F)F ZINC000623765519 565528637 /nfs/dbraw/zinc/52/86/37/565528637.db2.gz UVTOXWOFLUXHGQ-VXGBXAGGSA-N 1 0 396.228 2.689 20 0 GFADRO COc1cccc2c1OCC[C@@H]2[NH2+]Cc1ccc(S(N)(=O)=O)c(Cl)c1 ZINC000666273477 565528806 /nfs/dbraw/zinc/52/88/06/565528806.db2.gz KHFLRLSTHQTJPK-AWEZNQCLSA-N 1 0 382.869 2.609 20 0 GFADRO Brc1ccsc1C[NH2+]C[C@@H]1CN(Cc2ccncc2)CCO1 ZINC000623782420 565530494 /nfs/dbraw/zinc/53/04/94/565530494.db2.gz SIVBBOPECODKRD-CQSZACIVSA-N 1 0 382.327 2.896 20 0 GFADRO Cn1ccnc1C[C@H]([NH2+]Cc1ccc(S(C)(=O)=O)s1)c1ccccc1 ZINC000666281699 565530579 /nfs/dbraw/zinc/53/05/79/565530579.db2.gz CPXWMFYBIDJQOS-INIZCTEOSA-N 1 0 375.519 2.959 20 0 GFADRO CC[N@@H+]1CCCN(S(=O)(=O)Cc2ccc(Br)cc2Cl)CC1 ZINC000645522537 565533604 /nfs/dbraw/zinc/53/36/04/565533604.db2.gz YEJFRXLUBBRVRL-UHFFFAOYSA-N 1 0 395.750 2.960 20 0 GFADRO Cc1ccc(Br)cc1[C@@H](C)[NH2+]C[C@H]1CCCN1S(C)(=O)=O ZINC000623923904 565536515 /nfs/dbraw/zinc/53/65/15/565536515.db2.gz NXEXAKOKEKJADH-TZMCWYRMSA-N 1 0 375.332 2.832 20 0 GFADRO CN([C@@H]1CCC[N@H+](C)C1)S(=O)(=O)Cc1ccc(Br)cc1Cl ZINC000645564903 565539140 /nfs/dbraw/zinc/53/91/40/565539140.db2.gz JRRLODOGUIWHIB-CYBMUJFWSA-N 1 0 395.750 2.958 20 0 GFADRO COC(=O)c1cc(NC(=O)NCC[C@@H](C)[NH+](C)C)cc(Br)c1F ZINC000596876532 565539706 /nfs/dbraw/zinc/53/97/06/565539706.db2.gz NKEFINZODCDUKB-SECBINFHSA-N 1 0 390.253 2.837 20 0 GFADRO Cc1ccc(S(=O)(=O)C[C@@H](C)[NH2+]C[C@@H](n2cccn2)C(F)(F)F)cc1 ZINC000624043877 565539961 /nfs/dbraw/zinc/53/99/61/565539961.db2.gz BUGNBVWLHQYMMY-UKRRQHHQSA-N 1 0 375.416 2.747 20 0 GFADRO Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+]C[C@@H](n2cccn2)C(F)(F)F)cc1 ZINC000624043875 565540150 /nfs/dbraw/zinc/54/01/50/565540150.db2.gz BUGNBVWLHQYMMY-DZGCQCFKSA-N 1 0 375.416 2.747 20 0 GFADRO C[N@@H+]1CCC[C@H](CNC(=O)Nc2ccc(I)cc2F)C1 ZINC000597016476 565545066 /nfs/dbraw/zinc/54/50/66/565545066.db2.gz CVQOXSAUVVVSLK-SNVBAGLBSA-N 1 0 391.228 2.894 20 0 GFADRO CCC[N@@H+]1CC[C@H](NC(=O)Nc2cc(Br)cnc2-n2cccn2)C1 ZINC000666683055 565547764 /nfs/dbraw/zinc/54/77/64/565547764.db2.gz QNKUORWQUPEJQU-ZDUSSCGKSA-N 1 0 393.289 2.636 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CN(C(=O)Nc2ncc(Cc3ccccc3Cl)s2)CCO1 ZINC000666684401 565547991 /nfs/dbraw/zinc/54/79/91/565547991.db2.gz KJFQVKYKMOFTOR-NHYWBVRUSA-N 1 0 380.901 2.967 20 0 GFADRO C[C@H]([NH2+]CCN1CC[C@@H](O)C1)c1ccc(Br)cc1Br ZINC000624225906 565549109 /nfs/dbraw/zinc/54/91/09/565549109.db2.gz DWEHBQWFQAQVAN-CMPLNLGQSA-N 1 0 392.135 2.929 20 0 GFADRO C[C@@H]([NH2+]CC(=O)Nc1ccc2c(c1)OCCO2)c1cncc(Br)c1 ZINC000624262883 565550204 /nfs/dbraw/zinc/55/02/04/565550204.db2.gz YWKHOBQXIQVZFB-LLVKDONJSA-N 1 0 392.253 2.905 20 0 GFADRO Cc1cc(Br)c(F)cc1S(=O)(=O)N1CCCC[C@H]1CC[NH3+] ZINC000624365399 565553599 /nfs/dbraw/zinc/55/35/99/565553599.db2.gz VMMGQYJFZKYVMZ-NSHDSACASA-N 1 0 379.295 2.789 20 0 GFADRO COC(=O)[C@@H]1OCC[C@@H]1[NH2+]Cc1ccc(OC(F)(F)F)c(Br)c1 ZINC000597186612 565554514 /nfs/dbraw/zinc/55/45/14/565554514.db2.gz JSWHDSREJMBYDJ-CMPLNLGQSA-N 1 0 398.175 2.768 20 0 GFADRO [NH3+]C[C@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC[C@H]1C(F)(F)F ZINC000624390089 565554422 /nfs/dbraw/zinc/55/44/22/565554422.db2.gz UVQPATBCQNDSHD-JOYOIKCWSA-N 1 0 390.349 2.853 20 0 GFADRO C[C@]12C[NH2+]C[C@@]1(C)CN(S(=O)(=O)c1cc(Cl)cc(C(F)(F)F)c1)C2 ZINC000624412405 565556761 /nfs/dbraw/zinc/55/67/61/565556761.db2.gz YMUFADVGGUFXFR-OKILXGFUSA-N 1 0 382.835 2.979 20 0 GFADRO Cc1csc(-c2ccc(S(=O)(=O)N3C[C@@]4(C)C[NH2+]C[C@@]4(C)C3)cc2)n1 ZINC000624411921 565556913 /nfs/dbraw/zinc/55/69/13/565556913.db2.gz ZLZIJODTMBWCNQ-HDICACEKSA-N 1 0 377.535 2.739 20 0 GFADRO O=C(NC[C@H](O)COc1cccc(Cl)c1Cl)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000645759595 565559599 /nfs/dbraw/zinc/55/95/99/565559599.db2.gz DFSRGHAHASBXAZ-ZJNRKIDTSA-N 1 0 387.307 2.629 20 0 GFADRO CS[C@H]1CN(C(=O)Cc2ccc(Br)cc2F)C[C@@H]1[NH+](C)C ZINC000597445302 565561166 /nfs/dbraw/zinc/56/11/66/565561166.db2.gz GVDYWMGJTLHGEL-KBPBESRZSA-N 1 0 375.307 2.635 20 0 GFADRO COc1cccc(OC(F)(F)F)c1C(=O)N1C[C@H](SC)[C@@H]([NH+](C)C)C1 ZINC000597446263 565561611 /nfs/dbraw/zinc/56/16/11/565561611.db2.gz LYVDVEAWBONPIE-GWCFXTLKSA-N 1 0 378.416 2.711 20 0 GFADRO O=C(N[C@@H]1CCOc2ccc(Br)cc21)[C@H]1CCc2nc[nH]c2C1 ZINC000667053856 565567426 /nfs/dbraw/zinc/56/74/26/565567426.db2.gz VGTNWFOUOJCXTF-GXFFZTMASA-N 1 0 376.254 2.917 20 0 GFADRO CC[C@H](Cc1ccccc1Br)N(C)C(=O)NC[C@@H]1COCCN1C ZINC000624730655 565573383 /nfs/dbraw/zinc/57/33/83/565573383.db2.gz NGCXYSLVKXTDCI-HZPDHXFCSA-N 1 0 398.345 2.742 20 0 GFADRO COc1ccc(Br)cc1C1([NH2+]CCC(=O)Nc2cc(C)on2)CC1 ZINC000645974654 565580561 /nfs/dbraw/zinc/58/05/61/565580561.db2.gz QYIXKSQUEMISMB-UHFFFAOYSA-N 1 0 394.269 3.362 20 0 GFADRO CC[C@H]1CN(C(=O)Nc2cc(Br)cnc2-n2cccn2)CC[C@@H]1[NH3+] ZINC000667374779 565583366 /nfs/dbraw/zinc/58/33/66/565583366.db2.gz PGRQWNJCFBRTBX-AAEUAGOBSA-N 1 0 393.289 2.621 20 0 GFADRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCO[C@H]2c2cncc(Br)c2)C1 ZINC000667377139 565583738 /nfs/dbraw/zinc/58/37/38/565583738.db2.gz LUPUYNQOVUIZLR-XKQJLSEDSA-N 1 0 396.329 2.768 20 0 GFADRO C[NH+]1CCC2(CC1)CN(C[C@@H](O)COc1c(Cl)cccc1Cl)CCO2 ZINC000646103479 565586817 /nfs/dbraw/zinc/58/68/17/565586817.db2.gz VPWRMNHZEYASIX-CQSZACIVSA-N 1 0 389.323 2.530 20 0 GFADRO C[C@H](CCNC(=O)CCOc1cccc(I)c1)[NH+](C)C ZINC000597994522 565586964 /nfs/dbraw/zinc/58/69/64/565586964.db2.gz ZOJVLLCLDMPQJP-GFCCVEGCSA-N 1 0 390.265 2.517 20 0 GFADRO C[C@@H](CCNC(=O)CCOc1ccccc1I)[NH+](C)C ZINC000597992761 565587208 /nfs/dbraw/zinc/58/72/08/565587208.db2.gz NAQVLVHGJWIZSI-LBPRGKRZSA-N 1 0 390.265 2.517 20 0 GFADRO Cc1c(Br)cncc1C[N@@H+](C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000667483748 565588822 /nfs/dbraw/zinc/58/88/22/565588822.db2.gz QBJPNTPABUFMDQ-LBPRGKRZSA-N 1 0 398.326 2.993 20 0 GFADRO C[C@H]([NH3+])[C@H]1CN(C(=O)N[C@@H](c2ccc(F)c(Cl)c2)C(F)(F)F)CCO1 ZINC000667492242 565588949 /nfs/dbraw/zinc/58/89/49/565588949.db2.gz VUQHTOJTRFYSIK-CKLFPEKLSA-N 1 0 383.773 2.840 20 0 GFADRO CCN(C(=O)Cc1cccc(I)c1)[C@@H]1CC[N@H+](CC)C1 ZINC000598040719 565589121 /nfs/dbraw/zinc/58/91/21/565589121.db2.gz RBOWCACBXQTUOV-OAHLLOKOSA-N 1 0 386.277 2.776 20 0 GFADRO C[NH+](C)C[C@H](CO)NC(=O)c1cccnc1Oc1ccc(Cl)cc1Cl ZINC000646208036 565590506 /nfs/dbraw/zinc/59/05/06/565590506.db2.gz RMZZMAGHWGGGBA-GFCCVEGCSA-N 1 0 384.263 2.833 20 0 GFADRO O=C(COc1cc(Cl)c(Cl)cc1Cl)N[C@H](CO)C[NH+]1CCCC1 ZINC000646220023 565592149 /nfs/dbraw/zinc/59/21/49/565592149.db2.gz CPJDHDOZSVTMFH-JTQLQIEISA-N 1 0 381.687 2.599 20 0 GFADRO CCOc1c(Cl)cc(NC(=O)C(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)cc1Cl ZINC000667536765 565593112 /nfs/dbraw/zinc/59/31/12/565593112.db2.gz INJYFSITJNUNMB-YGRLFVJLSA-N 1 0 386.279 2.541 20 0 GFADRO CC[C@@H]1CN(C(=O)C(=O)Nc2c(C)cc(Br)cc2C)CC[C@@H]1[NH3+] ZINC000667548514 565594458 /nfs/dbraw/zinc/59/44/58/565594458.db2.gz OSJQIRREQPFWLL-OCCSQVGLSA-N 1 0 382.302 2.590 20 0 GFADRO C[C@@H](CCCC[NH3+])NC(=O)C(=O)Nc1ccccc1SCC(F)(F)F ZINC000667621982 565598165 /nfs/dbraw/zinc/59/81/65/565598165.db2.gz AMJHAIFIVXBTDP-NSHDSACASA-N 1 0 377.432 2.913 20 0 GFADRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(Cc2ccncc2Br)CC1 ZINC000625118423 565599968 /nfs/dbraw/zinc/59/99/68/565599968.db2.gz KAOPBCSKUDDNPQ-IYBDPMFKSA-N 1 0 381.362 2.835 20 0 GFADRO C[C@H](CC(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1)n1cc(Br)cn1 ZINC000646379443 565601201 /nfs/dbraw/zinc/60/12/01/565601201.db2.gz QFQNAUXNLUKPMA-KFWWJZLASA-N 1 0 383.334 2.835 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+](C2CCCCC2)C1)c1ccc(I)cn1 ZINC000598218493 565602930 /nfs/dbraw/zinc/60/29/30/565602930.db2.gz GJCQCZDTCQQBBJ-CYBMUJFWSA-N 1 0 399.276 2.823 20 0 GFADRO C[C@H](C(=O)N1CCOC[C@@H]1[C@H]1CCC[N@@H+]1C)c1ccc(Br)s1 ZINC000646447201 565603148 /nfs/dbraw/zinc/60/31/48/565603148.db2.gz RIMBNFCBMSYBDX-YNEHKIRRSA-N 1 0 387.343 2.936 20 0 GFADRO O=C(NCc1cc(Br)ccc1Br)C1CC[NH2+]CC1 ZINC000646436626 565603468 /nfs/dbraw/zinc/60/34/68/565603468.db2.gz KUXSRRFPLBPEHJ-UHFFFAOYSA-N 1 0 376.092 2.827 20 0 GFADRO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000646472963 565605037 /nfs/dbraw/zinc/60/50/37/565605037.db2.gz MNIAVFFEWZXZEM-PVXIVEMSSA-N 1 0 384.307 2.897 20 0 GFADRO O[C@H](C[NH2+]C1(c2ccc(Br)cc2)CCOCC1)CC1(O)CCC1 ZINC000625232027 565609256 /nfs/dbraw/zinc/60/92/56/565609256.db2.gz HSKZLOLCPBTEHW-INIZCTEOSA-N 1 0 384.314 2.710 20 0 GFADRO Cc1cc(Br)c(F)cc1S(=O)(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000625229161 565609677 /nfs/dbraw/zinc/60/96/77/565609677.db2.gz NSSPNISMUWNKGY-OAHLLOKOSA-N 1 0 391.306 2.613 20 0 GFADRO COc1ccccc1[C@@H]([NH3+])CNC(=O)c1[nH]nc(C(C)C)c1Br ZINC000646603748 565610508 /nfs/dbraw/zinc/61/05/08/565610508.db2.gz TZSQAZCXSMBGEG-NSHDSACASA-N 1 0 381.274 2.734 20 0 GFADRO C[C@H]1C[C@@H](C(=O)NCCc2ccc(I)cc2)CC[N@@H+]1C ZINC000598393226 565612965 /nfs/dbraw/zinc/61/29/65/565612965.db2.gz MMIKIJQLPROQGK-JSGCOSHPSA-N 1 0 386.277 2.680 20 0 GFADRO CC[NH+](CC)CCN(CCOC)C(=O)c1ccc(Br)c(OC)c1 ZINC000625288595 565615992 /nfs/dbraw/zinc/61/59/92/565615992.db2.gz PEWDDRZKNSTURK-UHFFFAOYSA-N 1 0 387.318 2.888 20 0 GFADRO CC[C@@H]1CN(C(=O)c2ccc(OC)c(I)c2)C[C@H](C)[NH2+]1 ZINC000598531837 565623341 /nfs/dbraw/zinc/62/33/41/565623341.db2.gz QMMDCUBPPPKFSW-CMPLNLGQSA-N 1 0 388.249 2.512 20 0 GFADRO CC[NH+]1CCC(CCNC(=O)c2cc(Br)cc3[nH]c(=O)[nH]c32)CC1 ZINC000646869094 565624084 /nfs/dbraw/zinc/62/40/84/565624084.db2.gz VMNJXKFVOPUUAT-UHFFFAOYSA-N 1 0 395.301 2.883 20 0 GFADRO Cc1sc2nc(C)nc(SCC(=O)N3CC[C@@H]4C[N@@H+](C)C[C@@H]43)c2c1C ZINC000646934896 565626799 /nfs/dbraw/zinc/62/67/99/565626799.db2.gz XMSNAJFARTYTOE-KGLIPLIRSA-N 1 0 376.551 2.871 20 0 GFADRO C[C@H](CNC(=O)[C@@H]1CCO[C@H]1c1cncc(Br)c1)[N@H+](C)C1CC1 ZINC000668095107 565627302 /nfs/dbraw/zinc/62/73/02/565627302.db2.gz BFYNOJZPVTVRCY-LYRGGWFBSA-N 1 0 382.302 2.521 20 0 GFADRO COc1ccc(Br)cc1C(=O)CCC(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000646985244 565631183 /nfs/dbraw/zinc/63/11/83/565631183.db2.gz VBRGKNSGPSLSDI-CYBMUJFWSA-N 1 0 383.286 2.679 20 0 GFADRO COc1ccc(C[C@H](CO)C[NH2+]Cc2c(F)cncc2Br)cc1O ZINC000668165401 565631161 /nfs/dbraw/zinc/63/11/61/565631161.db2.gz WMBXAYIZXWCOGR-LBPRGKRZSA-N 1 0 399.260 2.638 20 0 GFADRO O=C1Nc2ccc(Br)cc2CC[C@H]1[N@@H+]1CCC[C@H](n2ccnn2)C1 ZINC000625483927 565634139 /nfs/dbraw/zinc/63/41/39/565634139.db2.gz QSIXRKGWNIYJBO-GOEBONIOSA-N 1 0 390.285 2.631 20 0 GFADRO CN(C(=O)[C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21)[C@@H]1C[NH+]2CCC1CC2 ZINC000625484074 565634169 /nfs/dbraw/zinc/63/41/69/565634169.db2.gz ULOSGWGKFGCENX-NRSFXHEJSA-N 1 0 375.310 2.887 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000647055191 565634338 /nfs/dbraw/zinc/63/43/38/565634338.db2.gz OIPUMCPCALGCKI-MRXNPFEDSA-N 1 0 389.297 2.815 20 0 GFADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(C)(C)Oc1ccc(Br)cc1 ZINC000668261883 565636336 /nfs/dbraw/zinc/63/63/36/565636336.db2.gz ATNMMRYCUOYKRY-OAHLLOKOSA-N 1 0 399.329 2.834 20 0 GFADRO COCCN(CC[NH+](C)C)C(=O)c1cc2c(ccc(Br)c2C)[nH]1 ZINC000668308512 565638608 /nfs/dbraw/zinc/63/86/08/565638608.db2.gz CNIFRWSRJRFMFD-UHFFFAOYSA-N 1 0 382.302 2.889 20 0 GFADRO CC(C)C[C@H]([NH3+])c1noc(CCNC(=O)c2cc(F)ccc2Br)n1 ZINC000647131574 565640109 /nfs/dbraw/zinc/64/01/09/565640109.db2.gz IMCBANXRTPEUOW-ZDUSSCGKSA-N 1 0 399.264 2.990 20 0 GFADRO CCN(CC)S(=O)(=O)c1cc(-c2nc([C@H]3CCC[NH2+]3)no2)ccc1Cl ZINC000647156195 565641966 /nfs/dbraw/zinc/64/19/66/565641966.db2.gz RUKPGSVTRQVEOR-CYBMUJFWSA-N 1 0 384.889 2.845 20 0 GFADRO C[C@H](CN1CCOCC1)[NH2+]Cc1cc(OC(F)F)ccc1Br ZINC000647171569 565643233 /nfs/dbraw/zinc/64/32/33/565643233.db2.gz OCTHHVMNAKVORY-LLVKDONJSA-N 1 0 379.245 2.861 20 0 GFADRO Cc1cc(Br)cc(C(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c1C ZINC000668377691 565643963 /nfs/dbraw/zinc/64/39/63/565643963.db2.gz DNTMOAZBVBPHNT-DLBZAZTESA-N 1 0 381.314 2.737 20 0 GFADRO COc1ccccc1[C@@H]([NH3+])CNS(=O)(=O)c1ccc(Br)c(C)c1 ZINC000647186099 565644093 /nfs/dbraw/zinc/64/40/93/565644093.db2.gz BWXJBASRYFUGCU-HNNXBMFYSA-N 1 0 399.310 2.744 20 0 GFADRO Cc1c(Br)cncc1C(=O)N(CC[NH+](C)C)Cc1ccccn1 ZINC000668406382 565645361 /nfs/dbraw/zinc/64/53/61/565645361.db2.gz RSCJLKMOWKPRPX-UHFFFAOYSA-N 1 0 377.286 2.752 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Br)cc2Cl)C1 ZINC000647222780 565647478 /nfs/dbraw/zinc/64/74/78/565647478.db2.gz GBPSZDCHOCLIPV-GHMZBOCLSA-N 1 0 395.750 2.992 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+]CC[C@H]2CSc3ccccc3O2)c(F)c1 ZINC000647228330 565647693 /nfs/dbraw/zinc/64/76/93/565647693.db2.gz UOEQYAYYLCMZGY-ZDUSSCGKSA-N 1 0 382.482 2.506 20 0 GFADRO OC[C@H]([NH2+]Cc1cc(OC(F)F)ccc1Br)[C@@H]1CCCOC1 ZINC000647218127 565647698 /nfs/dbraw/zinc/64/76/98/565647698.db2.gz WSFBCSDDOWQHLB-YGRLFVJLSA-N 1 0 380.229 2.928 20 0 GFADRO Cc1cc(Br)ccc1S(=O)(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647238954 565647956 /nfs/dbraw/zinc/64/79/56/565647956.db2.gz ZQWKTEVEVWTTCU-HIFRSBDPSA-N 1 0 387.343 2.910 20 0 GFADRO COc1cc(Br)c(S(=O)(=O)N2CCC(C)([NH3+])CC2)cc1Cl ZINC000647254329 565649298 /nfs/dbraw/zinc/64/92/98/565649298.db2.gz FBIWIBCCJVSOLD-UHFFFAOYSA-N 1 0 397.722 2.613 20 0 GFADRO O=S(=O)(c1ccc2ccccc2c1Br)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000647264865 565650995 /nfs/dbraw/zinc/65/09/95/565650995.db2.gz XBHNTZUVAKQXJB-DZGCQCFKSA-N 1 0 395.322 2.975 20 0 GFADRO CO[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+][C@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000668507548 565651096 /nfs/dbraw/zinc/65/10/96/565651096.db2.gz GKWSZZPSSVJAGP-FXUDXRNXSA-N 1 0 377.428 2.743 20 0 GFADRO CC[C@H]1CN(S(=O)(=O)c2ccc(Br)c(Cl)c2)CC[C@@H]1[NH3+] ZINC000647269780 565651548 /nfs/dbraw/zinc/65/15/48/565651548.db2.gz ZNRWAQSBBUOBSI-ZANVPECISA-N 1 0 381.723 2.850 20 0 GFADRO CC(C)(C)OC(=O)c1ccc(C[NH2+][C@H]2CCC[C@H]2CNS(C)(=O)=O)s1 ZINC000598978590 565651567 /nfs/dbraw/zinc/65/15/67/565651567.db2.gz ICVJMQCRFGLQDA-JSGCOSHPSA-N 1 0 388.555 2.511 20 0 GFADRO CC[C@H]1CN(S(=O)(=O)Cc2ccc(Cl)cc2Br)CC[C@H]1[NH3+] ZINC000647270433 565651715 /nfs/dbraw/zinc/65/17/15/565651715.db2.gz ZBSDVIODCYFESF-IINYFYTJSA-N 1 0 395.750 2.992 20 0 GFADRO CN(C)C(=O)CN(CC[NH+](C)C)Cc1cc2cc(Br)ccc2o1 ZINC000668559044 565654250 /nfs/dbraw/zinc/65/42/50/565654250.db2.gz XPJSJWPXFDRRTM-UHFFFAOYSA-N 1 0 382.302 2.647 20 0 GFADRO CN(CC[NH2+]Cc1c(F)ccc(I)c1F)CC(F)F ZINC000599023102 565654403 /nfs/dbraw/zinc/65/44/03/565654403.db2.gz QIVTUZIWNQUVKC-UHFFFAOYSA-N 1 0 390.162 2.856 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[N@H+](C)CC1=CCCOC1 ZINC000668568850 565655327 /nfs/dbraw/zinc/65/53/27/565655327.db2.gz MEFYCGFOIHPECG-ZDUSSCGKSA-N 1 0 397.313 2.741 20 0 GFADRO C[C@@H]([NH2+]CC(=O)Nc1ccc(I)cc1)[C@H]1CCCCO1 ZINC000599049344 565655344 /nfs/dbraw/zinc/65/53/44/565655344.db2.gz VLEJPYPQFHADDX-BXUZGUMPSA-N 1 0 388.249 2.777 20 0 GFADRO O=S(=O)(c1ccc(Br)cc1)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647307208 565655696 /nfs/dbraw/zinc/65/56/96/565655696.db2.gz VGJYGYKRRWZGLK-KBPBESRZSA-N 1 0 387.343 2.849 20 0 GFADRO O=S(=O)(c1sccc1Br)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000647323459 565657609 /nfs/dbraw/zinc/65/76/09/565657609.db2.gz OGFXQAKFZWTDLE-WDEREUQCSA-N 1 0 379.345 2.521 20 0 GFADRO COc1ccc(CCC(=O)NCC[NH+]2CCSCC2)c(Br)c1 ZINC000668645995 565659195 /nfs/dbraw/zinc/65/91/95/565659195.db2.gz OIRGUEFASMXPPC-UHFFFAOYSA-N 1 0 387.343 2.555 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCS[C@@H]1C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000647360114 565659491 /nfs/dbraw/zinc/65/94/91/565659491.db2.gz QGONLWJUMOEAIZ-YGOYTEALSA-N 1 0 379.345 2.641 20 0 GFADRO OC[C@]1([NH2+]C[C@@H](O)CC(F)(F)F)CCc2cc(Br)ccc2C1 ZINC000625795886 565660948 /nfs/dbraw/zinc/66/09/48/565660948.db2.gz AQJDSUBDJXHOKF-KBPBESRZSA-N 1 0 382.220 2.572 20 0 GFADRO Cc1cc(Br)cc(C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)c1C ZINC000668684541 565661299 /nfs/dbraw/zinc/66/12/99/565661299.db2.gz MEIRYRLFQJWAKW-CYBMUJFWSA-N 1 0 382.346 2.679 20 0 GFADRO OCc1ccc(CC[NH2+]C[C@H](O)COc2ccc(Br)cc2)cc1 ZINC000647524360 565662427 /nfs/dbraw/zinc/66/24/27/565662427.db2.gz DXOVFYPMNJXPBY-KRWDZBQOSA-N 1 0 380.282 2.513 20 0 GFADRO CC(C)NC(=O)[C@@H]1CCC[N@H+](Cc2cn3ccc(Br)cc3n2)C1 ZINC000668731535 565663619 /nfs/dbraw/zinc/66/36/19/565663619.db2.gz IORHZXWPXISLHS-CYBMUJFWSA-N 1 0 379.302 2.833 20 0 GFADRO O[C@H](C[NH2+]C[C@H](O)C1CCC1)COc1ccc(Cl)cc1Br ZINC000647537018 565663992 /nfs/dbraw/zinc/66/39/92/565663992.db2.gz AGXCPZWAYMLRTN-OCCSQVGLSA-N 1 0 378.694 2.593 20 0 GFADRO OC[C@@H](C[NH2+]C[C@H](O)COc1ccc(Cl)c(Cl)c1)Cc1cccnc1 ZINC000647535121 565664243 /nfs/dbraw/zinc/66/42/43/565664243.db2.gz LXBNVHNWYXBMKV-CABCVRRESA-N 1 0 385.291 2.569 20 0 GFADRO COC(=O)CC1CC[NH+]([C@@H]2CCc3cc(Br)ccc3NC2=O)CC1 ZINC000599270461 565666238 /nfs/dbraw/zinc/66/62/38/565666238.db2.gz KHLLGCPEAJJWCZ-MRXNPFEDSA-N 1 0 395.297 2.978 20 0 GFADRO CCC(F)(F)C(C)(C)CS(=O)(=O)N1C[C@@H](SC)[C@@H]([NH+]2CCCC2)C1 ZINC000599278438 565667188 /nfs/dbraw/zinc/66/71/88/565667188.db2.gz CZCXFVUKAJQZBK-UONOGXRCSA-N 1 0 384.558 2.899 20 0 GFADRO C[N@@H+]1CCCC[C@@H]1C(=O)N1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000599306145 565668089 /nfs/dbraw/zinc/66/80/89/565668089.db2.gz TZXHSSNWEKOMIU-MRXNPFEDSA-N 1 0 384.307 2.762 20 0 GFADRO CN(C)C[C@@H]([NH2+]C[C@@H](O)COC1CCOCC1)c1ccc(Cl)c(Cl)c1 ZINC000625983332 565668705 /nfs/dbraw/zinc/66/87/05/565668705.db2.gz LSWBMFJFXJHFIT-RDTXWAMCSA-N 1 0 391.339 2.742 20 0 GFADRO CNS(=O)(=O)CCC[N@@H+]1CCC[C@H]1c1ccc(Br)cc1C ZINC000626009758 565669833 /nfs/dbraw/zinc/66/98/33/565669833.db2.gz SBIQNCWFSNCCGJ-HNNXBMFYSA-N 1 0 375.332 2.834 20 0 GFADRO O=C(c1cc(Cl)cc(F)c1Br)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000647707663 565672071 /nfs/dbraw/zinc/67/20/71/565672071.db2.gz BIKYDGINOOHQRT-GHMZBOCLSA-N 1 0 391.668 2.523 20 0 GFADRO C[C@@H]1C[C@@H](c2ccc(Br)cc2)C[N@@H+]1CCN1C(=O)CN(C)C1=O ZINC000626040674 565672247 /nfs/dbraw/zinc/67/22/47/565672247.db2.gz KEUPXXQMXJIKNH-TZMCWYRMSA-N 1 0 380.286 2.521 20 0 GFADRO CC1(C)NC(=O)N(CCC[NH2+][C@H](CCO)c2cc(Cl)cc(Cl)c2)C1=O ZINC000626100583 565675396 /nfs/dbraw/zinc/67/53/96/565675396.db2.gz RQDNXDSWPIMEAW-CQSZACIVSA-N 1 0 388.295 2.727 20 0 GFADRO C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000599400401 565675859 /nfs/dbraw/zinc/67/58/59/565675859.db2.gz NIBKAXSWKKIPJB-WMLDXEAASA-N 1 0 380.330 2.876 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)c(C)c1C(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000647791786 565677145 /nfs/dbraw/zinc/67/71/45/565677145.db2.gz MXCYYJCKZYSXAH-HNNXBMFYSA-N 1 0 377.286 2.686 20 0 GFADRO CCOC(=O)c1cc(Cl)cc(S(=O)(=O)NC[C@H]2CCCC[N@H+](C)C2)c1 ZINC000599415382 565677381 /nfs/dbraw/zinc/67/73/81/565677381.db2.gz NYLXMRLSYRAREH-CYBMUJFWSA-N 1 0 388.917 2.527 20 0 GFADRO [NH3+]Cc1ccc(CN[C@H]2CCS(=O)(=O)c3ccc(Br)cc32)cc1 ZINC000647803203 565677767 /nfs/dbraw/zinc/67/77/67/565677767.db2.gz MGKDGSGXZRADML-INIZCTEOSA-N 1 0 395.322 2.916 20 0 GFADRO [NH3+]C[C@H](NC(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1)C1CCCCC1 ZINC000647811442 565677904 /nfs/dbraw/zinc/67/79/04/565677904.db2.gz BHXGDKLMFPSMPN-INIZCTEOSA-N 1 0 384.929 2.670 20 0 GFADRO CC(=O)NC[C@@H]1CCCC[N@@H+]1C[C@H](O)COc1c(Cl)cccc1Cl ZINC000626154430 565679528 /nfs/dbraw/zinc/67/95/28/565679528.db2.gz OKVQSNQTMWGBJH-KBPBESRZSA-N 1 0 375.296 2.724 20 0 GFADRO C[C@@H](C(=O)Nc1ccc(Br)cc1Br)N(C)CCC[NH3+] ZINC000647848960 565679519 /nfs/dbraw/zinc/67/95/19/565679519.db2.gz BJIZFJXBPNNSQA-VIFPVBQESA-N 1 0 393.123 2.819 20 0 GFADRO C[C@@H]1[C@@H]([NH+](C)C)CCN1S(=O)(=O)Cc1ccc(Cl)cc1Br ZINC000647888563 565680564 /nfs/dbraw/zinc/68/05/64/565680564.db2.gz JAJVXWMKUOQEGH-YGRLFVJLSA-N 1 0 395.750 2.957 20 0 GFADRO COCCC[N@H+](C)CCNC(=O)c1cc(-c2cccc(Br)c2)no1 ZINC000669186654 565681661 /nfs/dbraw/zinc/68/16/61/565681661.db2.gz DTOBFSLOHXLFGD-UHFFFAOYSA-N 1 0 396.285 2.802 20 0 GFADRO CN1C2(CCC2)COC[C@]1(CO)CNC(=O)Nc1cc(Cl)ccc1Cl ZINC000626187325 565682950 /nfs/dbraw/zinc/68/29/50/565682950.db2.gz FOQKTHGGEVUAOZ-QGZVFWFLSA-N 1 0 388.295 2.731 20 0 GFADRO CC[C@@H]1CN(CC(=O)Nc2c(F)cc(F)cc2Br)CC[C@@H]1[NH3+] ZINC000647938553 565684425 /nfs/dbraw/zinc/68/44/25/565684425.db2.gz PTFJSCWHDSFPRV-RNCFNFMXSA-N 1 0 376.245 2.725 20 0 GFADRO CC(C)(O)C[NH+]1CCN(Cc2cc(OC(F)F)ccc2Br)CC1 ZINC000648006187 565687379 /nfs/dbraw/zinc/68/73/79/565687379.db2.gz PYKGJMVSBPTDDJ-UHFFFAOYSA-N 1 0 393.272 2.939 20 0 GFADRO O=C1C[C@@]2(CC[N@@H+](Cc3cc(OC(F)F)ccc3Br)C2)CN1 ZINC000648029356 565687913 /nfs/dbraw/zinc/68/79/13/565687913.db2.gz CRARYGMJJCMUKN-HNNXBMFYSA-N 1 0 375.213 2.763 20 0 GFADRO C[C@@H]1CN(Cc2cc(OC(F)F)ccc2Br)CC[N@@H+]1CCO ZINC000648026236 565688936 /nfs/dbraw/zinc/68/89/36/565688936.db2.gz WJTJFYYPIDJNCZ-LLVKDONJSA-N 1 0 379.245 2.549 20 0 GFADRO CC(=O)N[C@H](CC(=O)N[C@H]1[C@@H](C)[NH2+]CC[C@@H]1C)c1ccc(Br)cc1 ZINC000648136494 565691016 /nfs/dbraw/zinc/69/10/16/565691016.db2.gz MMWGVOCWRIBKFV-HDPGCNQUSA-N 1 0 396.329 2.519 20 0 GFADRO [NH3+]C1(C(=O)N2CCc3c(F)cc(Br)cc3C2)Cc2ccccc2C1 ZINC000648102100 565691049 /nfs/dbraw/zinc/69/10/49/565691049.db2.gz UPMSXYZQWXLFGM-UHFFFAOYSA-N 1 0 389.268 2.969 20 0 GFADRO O=C(NCCOc1ncc(C(F)(F)F)cc1Cl)N[C@H]1CCC[NH2+]CC1 ZINC000669496773 565691277 /nfs/dbraw/zinc/69/12/77/565691277.db2.gz PJVURCOGKOVOKK-NSHDSACASA-N 1 0 380.798 2.574 20 0 GFADRO C[C@H]1CC[C@@H](NC(=O)Nc2cc(F)c(I)c(F)c2)C[NH2+]1 ZINC000599598079 565691418 /nfs/dbraw/zinc/69/14/18/565691418.db2.gz NUIOGFYCYBGYGC-JGVFFNPUSA-N 1 0 395.191 2.831 20 0 GFADRO O=C(NCc1noc(-c2cccc(Br)c2)n1)[C@@H]1CCCCC[NH2+]1 ZINC000648174452 565692090 /nfs/dbraw/zinc/69/20/90/565692090.db2.gz UIGXLMLMWNQFKZ-ZDUSSCGKSA-N 1 0 379.258 2.648 20 0 GFADRO CCOC(=O)c1c(NC(=O)N[C@@H]2CC[NH2+][C@H]2CC)sc2c1CCSC2 ZINC000599603723 565692488 /nfs/dbraw/zinc/69/24/88/565692488.db2.gz UPVBFCRSFPFBSO-NWDGAFQWSA-N 1 0 383.539 2.976 20 0 GFADRO CCCCNC(=O)NC(=O)C[NH2+][C@@H](CN(C)C)c1ccc(Cl)c(Cl)c1 ZINC000599628392 565693232 /nfs/dbraw/zinc/69/32/32/565693232.db2.gz SGKVJDKKGNGWAG-HNNXBMFYSA-N 1 0 389.327 2.812 20 0 GFADRO CC[C@H](NC(=O)N1CCO[C@@H]([C@@H](C)[NH3+])C1)c1cc(F)cc(Br)c1 ZINC000669565406 565693480 /nfs/dbraw/zinc/69/34/80/565693480.db2.gz OLJOLWOVRQPGLE-WKPIXPDZSA-N 1 0 388.281 2.797 20 0 GFADRO C[C@@H](CC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)n1cc(Br)cn1 ZINC000648221003 565694250 /nfs/dbraw/zinc/69/42/50/565694250.db2.gz TTXIUDWYFGKTKK-YOEHRIQHSA-N 1 0 391.313 2.987 20 0 GFADRO O=C(NCCc1c[nH]c2cccc(Br)c12)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000669588502 565694244 /nfs/dbraw/zinc/69/42/44/565694244.db2.gz RBFSYVHWFCAAON-HIFRSBDPSA-N 1 0 391.313 2.866 20 0 GFADRO CC[C@H]1CN(C(=O)NCc2cc(F)c(F)cc2Br)CC[C@@H]1[NH3+] ZINC000669584859 565694664 /nfs/dbraw/zinc/69/46/64/565694664.db2.gz FRVGHYCJABZTLK-XPTSAGLGSA-N 1 0 376.245 2.996 20 0 GFADRO COCC[N@@H+]1CCC[C@H](NC(=O)CCc2cccc(F)c2Br)C1 ZINC000648280237 565699465 /nfs/dbraw/zinc/69/94/65/565699465.db2.gz DDFCHGAEHGLTLU-AWEZNQCLSA-N 1 0 387.293 2.748 20 0 GFADRO CO[C@H]1CC[N@@H+]([C@@H]2CCC[C@@H]2NC(=O)Nc2nccc(Br)c2C)C1 ZINC000626576620 565701495 /nfs/dbraw/zinc/70/14/95/565701495.db2.gz HEDNSIHQEOZBOA-AEGPPILISA-N 1 0 397.317 2.916 20 0 GFADRO CC[N@@H+]1C[C@H](C)N(C(=O)c2c3ccc(Br)cc3nn2C)C[C@H]1C ZINC000648341000 565704896 /nfs/dbraw/zinc/70/48/96/565704896.db2.gz FLGTZQLDBIDWEO-NEPJUHHUSA-N 1 0 379.302 2.891 20 0 GFADRO Cc1cc(CNC(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)ccc1I ZINC000599916993 565705733 /nfs/dbraw/zinc/70/57/33/565705733.db2.gz QYEZUCYDSDTPIP-YPMHNXCESA-N 1 0 387.265 2.539 20 0 GFADRO C[C@@H]1C[C@H]([NH2+][C@H]2CCc3ccc(Br)cc32)C(=O)N1c1cnn(C)c1 ZINC000669848805 565705835 /nfs/dbraw/zinc/70/58/35/565705835.db2.gz STEZYSPRHFKRIY-NVGVWMPQSA-N 1 0 389.297 2.954 20 0 GFADRO CC[N@@H+](Cc1cc(Br)ccc1O[C@H](C)C(=O)NC)C[C@H]1CCOC1 ZINC000648359270 565706813 /nfs/dbraw/zinc/70/68/13/565706813.db2.gz PYARSCZQSSRHAI-ZIAGYGMSSA-N 1 0 399.329 2.821 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[N@H+](C)C1CCOCC1 ZINC000648361031 565706872 /nfs/dbraw/zinc/70/68/72/565706872.db2.gz DRRHEVUZVHLGCQ-LBPRGKRZSA-N 1 0 385.302 2.573 20 0 GFADRO CC(C)[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000669907107 565707026 /nfs/dbraw/zinc/70/70/26/565707026.db2.gz PTCIBQNQPIJLJK-NORZTCDRSA-N 1 0 383.945 2.755 20 0 GFADRO CC(C)(CN1CCOCC1)NC(=O)c1cc2c(cncc2Br)s1 ZINC000648420419 565712161 /nfs/dbraw/zinc/71/21/61/565712161.db2.gz USBZRRAXHTXMCS-UHFFFAOYSA-N 1 0 398.326 2.899 20 0 GFADRO CCN(CC[NH3+])C(=O)C(=O)Nc1ccc(Sc2nc(C)cs2)cc1C ZINC000626853702 565713241 /nfs/dbraw/zinc/71/32/41/565713241.db2.gz NAXAIORYKJWBOG-UHFFFAOYSA-N 1 0 378.523 2.657 20 0 GFADRO Cc1cc(Br)cc(Cl)c1NC(=O)C(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000626888525 565714154 /nfs/dbraw/zinc/71/41/54/565714154.db2.gz VOCPXCQTXSIZEX-ONGXEEELSA-N 1 0 388.693 2.606 20 0 GFADRO COc1cc(C(=O)N2CCC[C@@H]([NH+]3CCOCC3)CC2)ccc1Br ZINC000626885306 565714540 /nfs/dbraw/zinc/71/45/40/565714540.db2.gz MPJPSGAQPUBHRS-OAHLLOKOSA-N 1 0 397.313 2.785 20 0 GFADRO C[NH+](C)C[C@H](NC(=O)CCNC(=O)c1ccsc1)c1ccc(Cl)cc1 ZINC000670172568 565717335 /nfs/dbraw/zinc/71/73/35/565717335.db2.gz VLLMDVXGFQEGKB-INIZCTEOSA-N 1 0 379.913 2.941 20 0 GFADRO CC[C@H](Cc1ccccc1Br)NC(=O)NCC1([NH3+])CCOCC1 ZINC000627000966 565719065 /nfs/dbraw/zinc/71/90/65/565719065.db2.gz YOVHPTOQOYDUAM-CQSZACIVSA-N 1 0 384.318 2.577 20 0 GFADRO COc1cc(Br)ccc1[C@H]1CCCN1C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000627094819 565721993 /nfs/dbraw/zinc/72/19/93/565721993.db2.gz MPVSUANERMQSNJ-CTASWTNQSA-N 1 0 380.286 2.522 20 0 GFADRO COC[C@@]1(CNC(=O)NCC/C=C/c2ccc(Br)cc2)CCC[NH2+]1 ZINC000627092029 565722052 /nfs/dbraw/zinc/72/20/52/565722052.db2.gz IMDUBDOOAQJOAK-SRSGJAESSA-N 1 0 396.329 2.920 20 0 GFADRO CC[C@@H](Cc1ccc(Br)cc1)NC(=O)N(C)CCOCC[NH2+]C ZINC000627118276 565722935 /nfs/dbraw/zinc/72/29/35/565722935.db2.gz WMPSYSISJBUPAS-INIZCTEOSA-N 1 0 386.334 2.648 20 0 GFADRO [NH3+]C1(CNC(=O)N(Cc2csc(Br)c2)C2CC2)CCOCC1 ZINC000627152359 565723784 /nfs/dbraw/zinc/72/37/84/565723784.db2.gz WJJNNWFNOLDBPO-UHFFFAOYSA-N 1 0 388.331 2.693 20 0 GFADRO C[C@H]1C[C@H](c2ccc(Br)cc2)CN1C(=O)NCC1([NH3+])CCOCC1 ZINC000627146638 565723999 /nfs/dbraw/zinc/72/39/99/565723999.db2.gz BHQFSFIGHDWZCC-ZFWWWQNUSA-N 1 0 396.329 2.844 20 0 GFADRO O=C(CCCOc1cccc(Cl)c1Cl)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000670447012 565724379 /nfs/dbraw/zinc/72/43/79/565724379.db2.gz CXCAMPDCWGLJJM-CQSZACIVSA-N 1 0 386.323 2.659 20 0 GFADRO CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)NCCc2ccc(Cl)cc2Cl)C1 ZINC000670495593 565725285 /nfs/dbraw/zinc/72/52/85/565725285.db2.gz NRNWKWYQPPPTIF-OAHLLOKOSA-N 1 0 386.323 2.641 20 0 GFADRO [NH3+]CCCOCCNC(=O)N1CCC(c2cccc(Br)c2)CC1 ZINC000627217594 565726990 /nfs/dbraw/zinc/72/69/90/565726990.db2.gz QVBFOGJDDUMOLY-UHFFFAOYSA-N 1 0 384.318 2.704 20 0 GFADRO O=C(c1cnc(-c2ccccc2Cl)s1)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000627257869 565728102 /nfs/dbraw/zinc/72/81/02/565728102.db2.gz PHHUVKQPSSSBGM-QWHCGFSZSA-N 1 0 377.897 2.745 20 0 GFADRO CCc1nn(C)cc1C[NH2+]C[C@@H](CO)Cc1ccc(OC)c(Br)c1 ZINC000648787343 565729919 /nfs/dbraw/zinc/72/99/19/565729919.db2.gz ASYPJLAREIXHAG-AWEZNQCLSA-N 1 0 396.329 2.694 20 0 GFADRO O=C(c1cc(F)c(Br)cc1Cl)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000627265517 565730178 /nfs/dbraw/zinc/73/01/78/565730178.db2.gz JVKFLNGRBUXQBH-VHSXEESVSA-N 1 0 391.668 2.523 20 0 GFADRO COC(=O)c1cc(C(=O)N[C@@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)no1 ZINC000600472706 565731722 /nfs/dbraw/zinc/73/17/22/565731722.db2.gz OLYWWJMWPCOWJU-ZDUSSCGKSA-N 1 0 386.235 2.801 20 0 GFADRO C[C@H](NC(=O)C(=O)N[C@H]1CC[NH2+]C12CCC2)c1cc(F)c(Cl)cc1Cl ZINC000627292034 565731799 /nfs/dbraw/zinc/73/17/99/565731799.db2.gz KFMGWCAZRSAMCT-XPTSAGLGSA-N 1 0 388.270 2.711 20 0 GFADRO C[C@@H]1CC[C@H](NC(=O)C(=O)N(Cc2cccs2)Cc2cccs2)C[NH2+]1 ZINC000627478099 565737340 /nfs/dbraw/zinc/73/73/40/565737340.db2.gz HMGODJWULSBNQF-KGLIPLIRSA-N 1 0 377.535 2.595 20 0 GFADRO C[C@@H](CC(=O)N1CCN[C@H](c2ccccc2)C1)n1cc(Br)cn1 ZINC000648925229 565739677 /nfs/dbraw/zinc/73/96/77/565739677.db2.gz APJKEVXOQQKVPJ-BBRMVZONSA-N 1 0 377.286 2.770 20 0 GFADRO COC(=O)[C@@H]1C[NH2+]CCCN1Cc1coc(-c2cc(Cl)cc(Cl)c2)n1 ZINC000600710966 565745678 /nfs/dbraw/zinc/74/56/78/565745678.db2.gz RBMXAISBWKVODX-HNNXBMFYSA-N 1 0 384.263 2.985 20 0 GFADRO C[C@H](CC(=O)N1CN(CC[NH+](C)C)C(=O)[C@@H]1C)c1ccc(Br)cc1 ZINC000649073152 565746570 /nfs/dbraw/zinc/74/65/70/565746570.db2.gz PPWAGMRAVSLKCR-KGLIPLIRSA-N 1 0 396.329 2.521 20 0 GFADRO C[C@@H](NC(=O)CN(C)[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(Br)cc1 ZINC000600726082 565746977 /nfs/dbraw/zinc/74/69/77/565746977.db2.gz FBAVSEZULNOTCE-DYVFJYSZSA-N 1 0 380.330 2.795 20 0 GFADRO C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)NCCc2ccc(Cl)cc2Cl)C1 ZINC000670984516 565748664 /nfs/dbraw/zinc/74/86/64/565748664.db2.gz OGVGEAAZZRXHQF-CYBMUJFWSA-N 1 0 386.323 2.500 20 0 GFADRO CC[N@@H+]1CCCC[C@H]1CNS(=O)(=O)Cc1ccc(OC(F)(F)F)cc1 ZINC000600774522 565748954 /nfs/dbraw/zinc/74/89/54/565748954.db2.gz QTMAMGHTUFYJDM-AWEZNQCLSA-N 1 0 380.432 2.879 20 0 GFADRO C[C@@H](Oc1cccc(Br)c1)C(=O)N1CCOC2(CC[NH+](C)CC2)C1 ZINC000649132330 565749075 /nfs/dbraw/zinc/74/90/75/565749075.db2.gz VCLGXKZHZAKFRB-CQSZACIVSA-N 1 0 397.313 2.540 20 0 GFADRO O=C(Cc1ccc(Br)cc1)N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000627737304 565749317 /nfs/dbraw/zinc/74/93/17/565749317.db2.gz OJVFBCJOFMBPFY-UHFFFAOYSA-N 1 0 381.314 2.705 20 0 GFADRO CC[NH+](CC)CCOC1CCN(S(=O)(=O)c2cc(Cl)ccc2F)CC1 ZINC000671175946 565755074 /nfs/dbraw/zinc/75/50/74/565755074.db2.gz GPMXDUCBLMUEAH-UHFFFAOYSA-N 1 0 392.924 2.991 20 0 GFADRO O=C(N[C@@H]1CCN(c2cccc(Br)c2)C1=O)c1ccc2c[nH+]cn2c1 ZINC000671224676 565758433 /nfs/dbraw/zinc/75/84/33/565758433.db2.gz RMCWXRXFDDSHOO-MRXNPFEDSA-N 1 0 399.248 2.632 20 0 GFADRO Cc1ccc(Br)cc1CN1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000649393512 565760404 /nfs/dbraw/zinc/76/04/04/565760404.db2.gz ZWVPDZKDPGNITN-QGZVFWFLSA-N 1 0 380.330 2.672 20 0 GFADRO O=C(NC[C@H]1CC[N@@H+]1C1CCCC1)C(=O)Nc1ccccc1Br ZINC000627905603 565762119 /nfs/dbraw/zinc/76/21/19/565762119.db2.gz QMQYWEIFGYWPQB-CYBMUJFWSA-N 1 0 380.286 2.521 20 0 GFADRO O=S(=O)(C1CCC(C(F)(F)F)CC1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000649599841 565767618 /nfs/dbraw/zinc/76/76/18/565767618.db2.gz CHWDWNNCSWYMBH-UHFFFAOYSA-N 1 0 377.432 2.655 20 0 GFADRO FC(F)(F)[C@@H](C[NH2+]Cc1cccc(I)c1)n1cncn1 ZINC000601144121 565768510 /nfs/dbraw/zinc/76/85/10/565768510.db2.gz PGRZMCGIZJMGJM-LLVKDONJSA-N 1 0 396.154 2.776 20 0 GFADRO CCC1([NH+]2CCCC2)CCN(c2ncc(I)cn2)CC1 ZINC000601218064 565772063 /nfs/dbraw/zinc/77/20/63/565772063.db2.gz QWINWMVINOALAK-UHFFFAOYSA-N 1 0 386.281 2.926 20 0 GFADRO C[C@@H](C(=O)N1CCC([NH+]2CCOCC2)CC1)c1cccc(Br)c1 ZINC000628122179 565774480 /nfs/dbraw/zinc/77/44/80/565774480.db2.gz NBVDQAKHBMNBPO-CQSZACIVSA-N 1 0 381.314 2.876 20 0 GFADRO C[C@@H](C(=O)N1CCC([NH+]2CCOCC2)CC1)c1ccc(Br)s1 ZINC000628125065 565774660 /nfs/dbraw/zinc/77/46/60/565774660.db2.gz JCNQVNLCVBGMES-GFCCVEGCSA-N 1 0 387.343 2.937 20 0 GFADRO O[C@@H](COc1ccc(Cl)c(Cl)c1)C[NH+]1CCC(Cn2cnnc2)CC1 ZINC000649789250 565779711 /nfs/dbraw/zinc/77/97/11/565779711.db2.gz QSKMYTQVMBZZON-CQSZACIVSA-N 1 0 385.295 2.737 20 0 GFADRO Brc1ccc(-c2n[nH]cc2C[N@@H+]2CC[C@@H](n3cncn3)C2)s1 ZINC000628241467 565780674 /nfs/dbraw/zinc/78/06/74/565780674.db2.gz WUZLCADIAFFFEW-LLVKDONJSA-N 1 0 379.287 2.939 20 0 GFADRO CS[C@@H]1CN(C(=O)c2sc([C@H]3CCOC3)nc2C)C[C@H]1[NH+]1CCCC1 ZINC000601436914 565784357 /nfs/dbraw/zinc/78/43/57/565784357.db2.gz MGLQSWHDYYWVIE-RRFJBIMHSA-N 1 0 381.567 2.607 20 0 GFADRO C[N@H+](Cc1cc(Br)cc(Br)c1)[C@@]1(CO)CCOC1 ZINC000628367787 565786494 /nfs/dbraw/zinc/78/64/94/565786494.db2.gz SKPSJQANSVVXIC-CYBMUJFWSA-N 1 0 379.092 2.795 20 0 GFADRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)CNC(=O)c1ccc(Cl)c(Cl)c1 ZINC000671871028 565790102 /nfs/dbraw/zinc/79/01/02/565790102.db2.gz JWUWDTDOLAZTRJ-JSGCOSHPSA-N 1 0 384.307 2.808 20 0 GFADRO Cn1nc2cc(Br)ccc2c1C(=O)NC[C@@H]1CCCC[N@H+](C)C1 ZINC000628756674 565806760 /nfs/dbraw/zinc/80/67/60/565806760.db2.gz WSIWGRABJOQHSM-LBPRGKRZSA-N 1 0 379.302 2.798 20 0 GFADRO COc1ncc(Br)cc1CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000628795508 565808609 /nfs/dbraw/zinc/80/86/09/565808609.db2.gz FVSQKUCTIDPSCP-OAHLLOKOSA-N 1 0 382.302 2.876 20 0 GFADRO CC(=O)NCC[C@@H]1CCC[N@H+](C[C@@H](O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000672576640 565813333 /nfs/dbraw/zinc/81/33/33/565813333.db2.gz NUEIKRCEAGMYRB-LSDHHAIUSA-N 1 0 389.323 2.971 20 0 GFADRO C[NH+](C)C[C@@H](NC(=O)c1nnn(C(C)(C)C)n1)c1ccc(Cl)c(Cl)c1 ZINC000628968264 565817318 /nfs/dbraw/zinc/81/73/18/565817318.db2.gz FWEXHOPESGBUHG-CYBMUJFWSA-N 1 0 385.299 2.768 20 0 GFADRO C[NH+](C)C[C@@H](NC(=O)c1cnc2n1CCOC2)c1ccc(Cl)c(Cl)c1 ZINC000628969162 565817335 /nfs/dbraw/zinc/81/73/35/565817335.db2.gz MVOJCFOTNGYOTF-CQSZACIVSA-N 1 0 383.279 2.753 20 0 GFADRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3cnc4ncc(Br)cc4c3)CC[C@H]21 ZINC000672885204 565820449 /nfs/dbraw/zinc/82/04/49/565820449.db2.gz ICUFKSLETNXIJH-BLLLJJGKSA-N 1 0 389.297 2.949 20 0 GFADRO C[C@@H](NC(=O)c1cnc2ncc(Br)cc2c1)C1=CC[N@H+](C)CC1 ZINC000672945514 565822800 /nfs/dbraw/zinc/82/28/00/565822800.db2.gz MMJFUNPMWAUZPJ-LLVKDONJSA-N 1 0 375.270 2.773 20 0 GFADRO Cc1cccc2c1C[C@@H]([NH2+][C@H](C(N)=O)c1cccc(Br)c1)CO2 ZINC000629252889 565832991 /nfs/dbraw/zinc/83/29/91/565832991.db2.gz ZSBJZTSBLGCYQF-PBHICJAKSA-N 1 0 375.266 2.877 20 0 GFADRO C[C@@H]1CN(CC[NH2+]Cc2nc(-c3ccc(Br)cc3)c[nH]2)CCO1 ZINC000602275319 565835911 /nfs/dbraw/zinc/83/59/11/565835911.db2.gz WTGNXBSDROYXME-CYBMUJFWSA-N 1 0 379.302 2.650 20 0 GFADRO CCOCCC[N@@H+]1CC[C@H](NS(=O)(=O)Cc2cccc(Cl)c2)[C@H](C)C1 ZINC000673563591 565840744 /nfs/dbraw/zinc/84/07/44/565840744.db2.gz JSMHBUZHQXZRFE-QAPCUYQASA-N 1 0 388.961 2.896 20 0 GFADRO CSc1ccc(-c2csc(NC(=O)C3([S@@](C)=O)CC[NH2+]CC3)n2)cc1 ZINC000602437122 565847592 /nfs/dbraw/zinc/84/75/92/565847592.db2.gz UQOLNPYORKQPFM-RUZDIDTESA-N 1 0 395.575 2.971 20 0 GFADRO C[S@](=O)C1(C(=O)NCC2(c3ccc(Cl)cc3)CCCC2)CC[NH2+]CC1 ZINC000602454864 565848593 /nfs/dbraw/zinc/84/85/93/565848593.db2.gz RSZABAYDXFPWJV-VWLOTQADSA-N 1 0 382.957 2.769 20 0 GFADRO C[NH+](C)CCn1cc(NC(=O)NCCc2ccc(Br)cc2)cn1 ZINC000673872462 565851268 /nfs/dbraw/zinc/85/12/68/565851268.db2.gz YCMTWJVUIKOREO-UHFFFAOYSA-N 1 0 380.290 2.571 20 0 GFADRO C[NH+](C)CCn1cc(NC(=O)NCc2cc(Br)ccc2F)cn1 ZINC000673868891 565851697 /nfs/dbraw/zinc/85/16/97/565851697.db2.gz IONRHWUDQYWZJX-UHFFFAOYSA-N 1 0 384.253 2.668 20 0 GFADRO [NH3+][C@H]1CC=C(C(=O)NCc2cc(Cl)ccc2I)C1 ZINC000602518915 565852998 /nfs/dbraw/zinc/85/29/98/565852998.db2.gz TVXWGHZIHZXKIU-NSHDSACASA-N 1 0 376.625 2.608 20 0 GFADRO CC(C)(CO)[NH+]1CCN(Cc2ncc(-c3cccc(Br)c3)o2)CC1 ZINC000673895126 565852881 /nfs/dbraw/zinc/85/28/81/565852881.db2.gz IXMKZTQRSZDEJG-UHFFFAOYSA-N 1 0 394.313 2.993 20 0 GFADRO COCC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCOc3ccc(Br)cc32)C1 ZINC000651273692 565853109 /nfs/dbraw/zinc/85/31/09/565853109.db2.gz VSPGQFBKZRMSTK-CABCVRRESA-N 1 0 397.313 2.542 20 0 GFADRO CN1C(=O)C[C@@H](C(=O)NC[C@@H]2CCC[N@@H+]2C)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000629453953 565853111 /nfs/dbraw/zinc/85/31/11/565853111.db2.gz ZCAHZAHSIGUKOP-AHIWAGSCSA-N 1 0 384.307 2.723 20 0 GFADRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)CCC[S@](=O)c1ccc(Br)cc1 ZINC000602545092 565853495 /nfs/dbraw/zinc/85/34/95/565853495.db2.gz SHYSPJWAYPFEEB-KIMHZCHSSA-N 1 0 387.343 2.594 20 0 GFADRO C[N@@H+]1CCCN(CCCNC(=O)c2cc(Cl)ccc2OC(F)F)CC1 ZINC000673990844 565855201 /nfs/dbraw/zinc/85/52/01/565855201.db2.gz CDMIJOGKJHTGKV-UHFFFAOYSA-N 1 0 375.847 2.699 20 0 GFADRO O=C1Nc2ccc(Br)cc2CC[C@H]1N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000629538271 565857276 /nfs/dbraw/zinc/85/72/76/565857276.db2.gz TUOHAYRVJAHYCI-AEFFLSMTSA-N 1 0 378.314 2.778 20 0 GFADRO [NH3+]C[C@@H]1CN([C@@H]2CCN(c3cccc(Cl)c3)C2=O)CC[C@H]1C(F)(F)F ZINC000629563120 565859230 /nfs/dbraw/zinc/85/92/30/565859230.db2.gz QAUNCOIPRYHGST-KCPJHIHWSA-N 1 0 375.822 2.904 20 0 GFADRO COc1ccc(NC(=O)CN2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1Cl ZINC000629566422 565859291 /nfs/dbraw/zinc/85/92/91/565859291.db2.gz SITJFSWQIUUKIR-ZYHUDNBSSA-N 1 0 379.810 2.746 20 0 GFADRO Cc1nnsc1C[NH2+]CCOc1ccc(I)cc1 ZINC000602659464 565860809 /nfs/dbraw/zinc/86/08/09/565860809.db2.gz QMHJQSFKEUKXRH-UHFFFAOYSA-N 1 0 375.235 2.620 20 0 GFADRO CCc1nnc(NC(=O)[C@H](C)[C@@H](C)[NH2+]Cc2cc(C(=O)OC)cs2)s1 ZINC000602656329 565860862 /nfs/dbraw/zinc/86/08/62/565860862.db2.gz SRFORZJWVSHOJZ-NXEZZACHSA-N 1 0 382.511 2.702 20 0 GFADRO COc1ncc(Br)cc1C[NH2+]C[C@@H](O)COc1ccc(C)cc1C ZINC000629593645 565861651 /nfs/dbraw/zinc/86/16/51/565861651.db2.gz SUPWCZDYMAIEDG-MRXNPFEDSA-N 1 0 395.297 2.999 20 0 GFADRO COc1ncc(Br)cc1C[NH2+]C[C@H](O)COc1cc(C)cc(C)c1 ZINC000629592727 565861747 /nfs/dbraw/zinc/86/17/47/565861747.db2.gz DHJVMHBJXROZOU-INIZCTEOSA-N 1 0 395.297 2.999 20 0 GFADRO O=S1(=O)CC[C@@](O)(C[NH2+][C@@H](Cc2ccccc2Cl)c2ccccc2)C1 ZINC000651391921 565862566 /nfs/dbraw/zinc/86/25/66/565862566.db2.gz KUZOQHZVBHUMHV-RBUKOAKNSA-N 1 0 379.909 2.763 20 0 GFADRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1cc(=O)c2cc(Br)ccc2[nH]1 ZINC000602751927 565866074 /nfs/dbraw/zinc/86/60/74/565866074.db2.gz RPGSWMNGDGPATP-HOCLYGCPSA-N 1 0 390.281 2.647 20 0 GFADRO C[NH+](C)CCOc1ccc(CNS(=O)(=O)c2ccc(Cl)c(F)c2)cc1 ZINC000651522821 565869312 /nfs/dbraw/zinc/86/93/12/565869312.db2.gz WBZFLYQJZQKNRS-UHFFFAOYSA-N 1 0 386.876 2.898 20 0 GFADRO CC[NH+]1CCC(CNS(=O)(=O)c2sc(Br)cc2C)CC1 ZINC000651531710 565869385 /nfs/dbraw/zinc/86/93/85/565869385.db2.gz VHIDOGUWQFLTSP-UHFFFAOYSA-N 1 0 381.361 2.829 20 0 GFADRO Cc1nc(C)c(S(=O)(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)s1 ZINC000674340129 565869646 /nfs/dbraw/zinc/86/96/46/565869646.db2.gz JJKOVLLGEQLSGD-QGZVFWFLSA-N 1 0 379.551 2.950 20 0 GFADRO O=S(=O)(NC[C@@H](c1cccs1)[NH+]1CCCC1)C1Cc2ccccc2C1 ZINC000674339250 565870078 /nfs/dbraw/zinc/87/00/78/565870078.db2.gz CFKYZIVCXBDHGY-SFHVURJKSA-N 1 0 376.547 2.972 20 0 GFADRO CCOCCC[N@@H+]1CC[C@H](NS(=O)(=O)Cc2ccc(Cl)cc2)[C@@H](C)C1 ZINC000651562350 565872387 /nfs/dbraw/zinc/87/23/87/565872387.db2.gz MGCXDZWKFYXOIC-YJBOKZPZSA-N 1 0 388.961 2.896 20 0 GFADRO C[N@H+](CC/C=C/c1ccc(Br)cc1)CCN1CCCS1(=O)=O ZINC000674463005 565874995 /nfs/dbraw/zinc/87/49/95/565874995.db2.gz GURAAWWXEDHUTN-GORDUTHDSA-N 1 0 387.343 2.820 20 0 GFADRO CC(C)(COc1cc(Cl)cc(Cl)c1)C(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000629916239 565876034 /nfs/dbraw/zinc/87/60/34/565876034.db2.gz OTFOPAOMKSRDCR-AWEZNQCLSA-N 1 0 375.296 2.581 20 0 GFADRO C[NH+](C)[C@@]1(CNS(=O)(=O)Cc2cc(Cl)sc2Cl)CCSC1 ZINC000651589898 565876724 /nfs/dbraw/zinc/87/67/24/565876724.db2.gz VLMKUQOIAYHMQE-GFCCVEGCSA-N 1 0 389.395 2.912 20 0 GFADRO O[C@H](C[N@@H+]1CCC[C@H]1c1ccccc1Br)CC1(O)CCOCC1 ZINC000630036648 565881005 /nfs/dbraw/zinc/88/10/05/565881005.db2.gz GRCOGXFQTYRSEE-YOEHRIQHSA-N 1 0 384.314 2.879 20 0 GFADRO COc1nsc(C[NH2+]CC(C)(C)C(=O)N2CCCC2)c1Br ZINC000630073771 565881170 /nfs/dbraw/zinc/88/11/70/565881170.db2.gz JAZIBFOUKRAENN-UHFFFAOYSA-N 1 0 376.320 2.652 20 0 GFADRO CC[NH+]1CCN(CCC(=O)N2CCc3c(F)cc(Br)cc3C2)CC1 ZINC000675236410 565895431 /nfs/dbraw/zinc/89/54/31/565895431.db2.gz JWKMFHPESKSGKB-UHFFFAOYSA-N 1 0 398.320 2.501 20 0 GFADRO C[N@@H+]1CCC[C@@H](CNC(=O)N2CCc3c(F)cc(Br)cc3C2)C1 ZINC000675245982 565896533 /nfs/dbraw/zinc/89/65/33/565896533.db2.gz JAYMYHYITFXOME-LBPRGKRZSA-N 1 0 384.293 2.998 20 0 GFADRO C[C@H](NC(=O)c1cc(=O)c2cc(Br)ccc2[nH]1)C1CC[NH+](C)CC1 ZINC000603320439 565898207 /nfs/dbraw/zinc/89/82/07/565898207.db2.gz IUEILFRGKYBIRD-NSHDSACASA-N 1 0 392.297 2.751 20 0 GFADRO C[C@H](NC(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1)c1nncn1C ZINC000630397296 565898235 /nfs/dbraw/zinc/89/82/35/565898235.db2.gz WBLBTLLRIZQOHK-HZMBPMFUSA-N 1 0 385.299 2.785 20 0 GFADRO COc1cnc(N2CCC[C@H]([NH+](C)C)CC2)c(I)c1 ZINC000603360814 565900090 /nfs/dbraw/zinc/90/00/90/565900090.db2.gz VTPYEFFAGSRBCI-NSHDSACASA-N 1 0 375.254 2.615 20 0 GFADRO CC(C)C[N@H+](C)CCCNC(=O)C(=O)Nc1cc(F)ccc1Br ZINC000651901206 565902754 /nfs/dbraw/zinc/90/27/54/565902754.db2.gz AIXAOEWBAUOUKT-UHFFFAOYSA-N 1 0 388.281 2.621 20 0 GFADRO CC(C)C[N@H+](C)CCCNC(=O)C(=O)Nc1ccc(Br)c(F)c1 ZINC000651902360 565902828 /nfs/dbraw/zinc/90/28/28/565902828.db2.gz IKOBNQJSJHSTEO-UHFFFAOYSA-N 1 0 388.281 2.621 20 0 GFADRO CN(CCCN1CC[NH+](C)CC1)C(=O)CCCc1cccc(Br)c1 ZINC000675459896 565903176 /nfs/dbraw/zinc/90/31/76/565903176.db2.gz IEAPUSRDLFLYIJ-UHFFFAOYSA-N 1 0 396.373 2.868 20 0 GFADRO CC[C@H](C[NH+]1CCCC1)NC(=O)NCCOc1ncc(Cl)cc1Cl ZINC000675577666 565908895 /nfs/dbraw/zinc/90/88/95/565908895.db2.gz PUIFPKHZMVPMQO-CYBMUJFWSA-N 1 0 375.300 2.941 20 0 GFADRO CCN1C[C@H](C[NH2+]Cc2cnn(-c3ccc(Br)cc3)c2)CC1=O ZINC000652002448 565909573 /nfs/dbraw/zinc/90/95/73/565909573.db2.gz OIMCRLUVCJVZIH-ZDUSSCGKSA-N 1 0 377.286 2.593 20 0 GFADRO C[C@H](Oc1cccc(Cl)c1Cl)C(=O)NCCCN1CCC[N@H+](C)CC1 ZINC000603812648 565915979 /nfs/dbraw/zinc/91/59/79/565915979.db2.gz ZXZLZOYVMBKYHD-AWEZNQCLSA-N 1 0 388.339 2.905 20 0 GFADRO C[N@@H+]1CCCN(CCCNC(=O)c2cc(Cl)ccc2Br)CC1 ZINC000603900304 565917716 /nfs/dbraw/zinc/91/77/16/565917716.db2.gz ZQQLPOLQWCVYCD-UHFFFAOYSA-N 1 0 388.737 2.860 20 0 GFADRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc2cncc(Br)c2n1 ZINC000630750230 565918629 /nfs/dbraw/zinc/91/86/29/565918629.db2.gz XYJPVRCTSZTHSA-ZFWWWQNUSA-N 1 0 375.270 2.749 20 0 GFADRO C[C@H](CNC(=O)NCCC1CC[NH2+]CC1)Oc1ccc(Br)cc1 ZINC000652160988 565918641 /nfs/dbraw/zinc/91/86/41/565918641.db2.gz CDQBXOPHZJGVOE-CYBMUJFWSA-N 1 0 384.318 2.905 20 0 GFADRO CCn1c(CNC(=O)NCCC2(C[NH3+])CC2)nc2cc(Br)ccc21 ZINC000652182388 565918940 /nfs/dbraw/zinc/91/89/40/565918940.db2.gz MEQBYRUNEPWXRE-UHFFFAOYSA-N 1 0 394.317 2.747 20 0 GFADRO [NH3+]C[C@]12CCC[C@H]1CN(C(=O)NCc1cc(F)c(F)cc1Br)C2 ZINC000652191774 565918961 /nfs/dbraw/zinc/91/89/61/565918961.db2.gz DQBNWVUINXZMLE-ZBEGNZNMSA-N 1 0 388.256 2.998 20 0 GFADRO Cn1ccc(C[NH+]2CCN(Cc3ccc(Br)c(F)c3)CC2)cc1=O ZINC000675900323 565920087 /nfs/dbraw/zinc/92/00/87/565920087.db2.gz UZECEPVGQUARMP-UHFFFAOYSA-N 1 0 394.288 2.605 20 0 GFADRO C[N@@H+]1CCCC[C@@H]1C(=O)N1CCN(Cc2ccc(Br)cc2)CC1 ZINC000675925349 565920909 /nfs/dbraw/zinc/92/09/09/565920909.db2.gz OGQIFCOWZRSYOM-QGZVFWFLSA-N 1 0 380.330 2.578 20 0 GFADRO C[NH+](C)CCOc1ccccc1CNC(=O)c1c(F)cncc1Br ZINC000630852405 565922727 /nfs/dbraw/zinc/92/27/27/565922727.db2.gz NLHZXGWXAGQNMY-UHFFFAOYSA-N 1 0 396.260 2.854 20 0 GFADRO Cc1cc(Br)sc1S(=O)(=O)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000652372011 565924372 /nfs/dbraw/zinc/92/43/72/565924372.db2.gz NHMQLPGKWIYJAH-NWDGAFQWSA-N 1 0 393.372 2.972 20 0 GFADRO Cc1cc(Br)sc1S(=O)(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000652371199 565924572 /nfs/dbraw/zinc/92/45/72/565924572.db2.gz MXPWTWLNIDYEBW-VXGBXAGGSA-N 1 0 393.372 2.829 20 0 GFADRO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCN(S(=O)(=O)c3cc(Cl)cc(Cl)c3)C2)C1 ZINC000652374997 565925421 /nfs/dbraw/zinc/92/54/21/565925421.db2.gz GVCAKMITZKGLHP-DJSGYFEHSA-N 1 0 393.336 2.900 20 0 GFADRO Cc1cccc(S(=O)(=O)N2CCC[C@H](C)[C@H]2CC[NH3+])c1Br ZINC000652377207 565925659 /nfs/dbraw/zinc/92/56/59/565925659.db2.gz ABECTJVGOXKPFW-WCQYABFASA-N 1 0 375.332 2.896 20 0 GFADRO O=C(N[C@H]1CC[N@@H+](C2CC2)C1)N1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000604203399 565926041 /nfs/dbraw/zinc/92/60/41/565926041.db2.gz FGJDBWIAKXRQMT-RDJZCZTQSA-N 1 0 394.313 2.769 20 0 GFADRO O=S(=O)(NCCC1CC[NH2+]CC1)c1cc(Cl)c(Br)cc1F ZINC000652385081 565927699 /nfs/dbraw/zinc/92/76/99/565927699.db2.gz AIEKDJDFHSVCLT-UHFFFAOYSA-N 1 0 399.713 2.910 20 0 GFADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)c1oc2ccccc2c1Br ZINC000630948534 565928553 /nfs/dbraw/zinc/92/85/53/565928553.db2.gz HENHBKAJVVPAHD-LBPRGKRZSA-N 1 0 380.286 2.561 20 0 GFADRO O=C(CCc1ccc(Br)cc1F)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000676343739 565932601 /nfs/dbraw/zinc/93/26/01/565932601.db2.gz XABKBUVRTYMOMH-INIZCTEOSA-N 1 0 399.304 2.890 20 0 GFADRO O=C(Nc1cc(Cl)cc(Cl)c1)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604668408 565933323 /nfs/dbraw/zinc/93/33/23/565933323.db2.gz AHJVLNLRJAQJPP-OAHLLOKOSA-N 1 0 387.311 2.521 20 0 GFADRO C[C@H](Cc1ccc(Br)cc1)[NH2+]Cc1cn(C[C@@H]2CCOC2)nn1 ZINC000631042346 565934709 /nfs/dbraw/zinc/93/47/09/565934709.db2.gz JCUFESQDIQSBGT-HIFRSBDPSA-N 1 0 379.302 2.798 20 0 GFADRO CCO[C@@H]1CN(C(=O)Nc2cccc3cc(Br)cnc32)C[C@H]1C[NH3+] ZINC000652604549 565934879 /nfs/dbraw/zinc/93/48/79/565934879.db2.gz GSRVBDQHBLDDJV-IUODEOHRSA-N 1 0 393.285 2.825 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(C(=O)Nc3cc(Br)ccn3)C2)C1 ZINC000652599510 565934898 /nfs/dbraw/zinc/93/48/98/565934898.db2.gz FZHNWMPMCHOQEA-YUTCNCBUSA-N 1 0 383.290 2.594 20 0 GFADRO CCO[C@@H]1CN(C(=O)Nc2ccc(Cl)c(Br)c2)C[C@H]1C[NH3+] ZINC000652582802 565935111 /nfs/dbraw/zinc/93/51/11/565935111.db2.gz ATAYDCYXFAZGEM-NOZJJQNGSA-N 1 0 376.682 2.930 20 0 GFADRO Cc1nc(S(=O)(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)sc1C ZINC000676414570 565936162 /nfs/dbraw/zinc/93/61/62/565936162.db2.gz YFVBMFBIJAKBBQ-KRWDZBQOSA-N 1 0 379.551 2.950 20 0 GFADRO O=S1(=O)CCCN1CCC[NH2+]Cc1cccc(Br)c1Cl ZINC000631064494 565936287 /nfs/dbraw/zinc/93/62/87/565936287.db2.gz NNGAJZLYIONPKY-UHFFFAOYSA-N 1 0 381.723 2.618 20 0 GFADRO CS(=O)(=O)N1CCC(C[NH2+]Cc2cccc(Br)c2Cl)CC1 ZINC000631056532 565936999 /nfs/dbraw/zinc/93/69/99/565936999.db2.gz LJFLEQCZWSXFOQ-UHFFFAOYSA-N 1 0 395.750 2.864 20 0 GFADRO Brc1cccc(CCC[NH2+]Cc2cn(C[C@@H]3CCOC3)nn2)c1 ZINC000631068533 565938368 /nfs/dbraw/zinc/93/83/68/565938368.db2.gz IWHFNQDBPZGWDN-HNNXBMFYSA-N 1 0 379.302 2.800 20 0 GFADRO [NH3+]CC1(CCNC(=O)C(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)CC1 ZINC000652712870 565938567 /nfs/dbraw/zinc/93/85/67/565938567.db2.gz CFJQLLSTUFXXLK-OAHLLOKOSA-N 1 0 384.307 2.902 20 0 GFADRO C[C@@H](C[NH2+]Cc1cn(C[C@@H]2CCOC2)nn1)Oc1ccccc1Br ZINC000631081893 565938549 /nfs/dbraw/zinc/93/85/49/565938549.db2.gz BNDUTGAKUXOWBX-KBPBESRZSA-N 1 0 395.301 2.634 20 0 GFADRO Cc1cc(S(=O)(=O)NCC[NH2+]Cc2ccc(C(F)F)nc2)c(C)s1 ZINC000631098249 565941737 /nfs/dbraw/zinc/94/17/37/565941737.db2.gz MBLJRLBPVGUSAU-UHFFFAOYSA-N 1 0 375.466 2.766 20 0 GFADRO O[C@@H]1CC[N@H+](Cc2ccccc2CNCc2ccncc2Br)C1 ZINC000631110895 565941882 /nfs/dbraw/zinc/94/18/82/565941882.db2.gz PEKSZLPECXGTLP-QGZVFWFLSA-N 1 0 376.298 2.701 20 0 GFADRO O=S1(=O)CC[C@@]2(C1)C[C@@H]([NH2+]Cc1ccccc1CC(F)(F)F)CCO2 ZINC000631108785 565941973 /nfs/dbraw/zinc/94/19/73/565941973.db2.gz SJLWQNMLINGNEQ-HOTGVXAUSA-N 1 0 377.428 2.617 20 0 GFADRO C[C@@H](CCNS(=O)(=O)c1ccccc1)[NH2+]Cc1ccncc1Br ZINC000631130269 565942873 /nfs/dbraw/zinc/94/28/73/565942873.db2.gz DRJUDABZPQLSBJ-ZDUSSCGKSA-N 1 0 398.326 2.691 20 0 GFADRO C[C@H]([NH2+]Cc1ccc(Cl)c(S(N)(=O)=O)c1)[C@H]1OCCc2sccc21 ZINC000631141606 565944092 /nfs/dbraw/zinc/94/40/92/565944092.db2.gz GGJCOCPGHDKONY-MGPLVRAMSA-N 1 0 386.926 2.841 20 0 GFADRO COc1cc(CNC[C@H]2CCC[N@@H+]2CCCO)c(F)cc1Br ZINC000631147108 565944317 /nfs/dbraw/zinc/94/43/17/565944317.db2.gz NQRCCIDZZSJNHV-CYBMUJFWSA-N 1 0 375.282 2.533 20 0 GFADRO O=S(=O)(N[C@@H]1CCCC[C@H]1[NH2+]Cc1cc2cc(Cl)cnc2o1)C1CC1 ZINC000631253579 565950559 /nfs/dbraw/zinc/95/05/59/565950559.db2.gz IGPYMLGYKQQTSI-HZPDHXFCSA-N 1 0 383.901 2.964 20 0 GFADRO c1csc(N2CCC([NH2+]Cc3ccnc(N4CCSCC4)c3)CC2)n1 ZINC000631241591 565950875 /nfs/dbraw/zinc/95/08/75/565950875.db2.gz XLPZMYMHYPVMOY-UHFFFAOYSA-N 1 0 375.567 2.850 20 0 GFADRO [NH3+]CCCOC1CCN(C(=O)c2cc3ccc(Br)cc3[nH]2)CC1 ZINC000653055001 565953110 /nfs/dbraw/zinc/95/31/10/565953110.db2.gz HJPKTXIPFRAESL-UHFFFAOYSA-N 1 0 380.286 2.900 20 0 GFADRO C[C@H](NC(=O)[C@@H]1CC[C@@H](C2CC2)[NH2+]1)c1cc2c(cc1Br)OCCO2 ZINC000653074867 565953487 /nfs/dbraw/zinc/95/34/87/565953487.db2.gz YMVFKFKJEBRWEJ-LKTVYLICSA-N 1 0 395.297 2.928 20 0 GFADRO C[NH+](C)C1(CNC(=O)[C@H]2C[C@]2(C)c2cccc(Br)c2)CCOCC1 ZINC000631307980 565953672 /nfs/dbraw/zinc/95/36/72/565953672.db2.gz LMEHOJQNSNPQLJ-SJLPKXTDSA-N 1 0 395.341 2.954 20 0 GFADRO C[NH+](C)C[C@]1(O)CCCN(c2ccc(Br)c(C(F)(F)F)n2)C1 ZINC000631344442 565954365 /nfs/dbraw/zinc/95/43/65/565954365.db2.gz PYQLLMYUQYRVIF-CYBMUJFWSA-N 1 0 382.224 2.756 20 0 GFADRO O=C([C@@H]1CC[C@@H](C2CC2)[NH2+]1)N1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000653078012 565954542 /nfs/dbraw/zinc/95/45/42/565954542.db2.gz ROIIQVHTRXFFGG-YESZJQIVSA-N 1 0 379.298 2.880 20 0 GFADRO C[C@H]1Cc2cc(S(=O)(=O)N3CC[C@@H]([NH+]4CCCCC4)C3)cc(Cl)c2O1 ZINC000605592229 565954950 /nfs/dbraw/zinc/95/49/50/565954950.db2.gz VJSPUWHSTTZTCW-DZGCQCFKSA-N 1 0 384.929 2.912 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(C(=O)c3ccc(F)cc3Br)C2)C1 ZINC000653189894 565958320 /nfs/dbraw/zinc/95/83/20/565958320.db2.gz CVRFZVSKSWZEJY-KFNAQCHYSA-N 1 0 385.277 2.947 20 0 GFADRO CC(C)[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000653193057 565958431 /nfs/dbraw/zinc/95/84/31/565958431.db2.gz BLXFSFBQFPJODB-PNPHSEOMSA-N 1 0 383.945 2.743 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(C(=O)Cc3ccccc3Br)C2)C1 ZINC000653188592 565958566 /nfs/dbraw/zinc/95/85/66/565958566.db2.gz MLUAVWYBHPASFK-INMHGKMJSA-N 1 0 381.314 2.737 20 0 GFADRO CCO[C@@H]1CN(C(=O)CSc2ccc(Br)cc2C)C[C@H]1C[NH3+] ZINC000653243916 565959331 /nfs/dbraw/zinc/95/93/31/565959331.db2.gz RDTZGYZPMUDONA-TZMCWYRMSA-N 1 0 387.343 2.672 20 0 GFADRO [NH3+]CC1(CCNC(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000653217692 565959573 /nfs/dbraw/zinc/95/95/73/565959573.db2.gz BLUIOOCTYUGGFX-HNNXBMFYSA-N 1 0 384.307 2.843 20 0 GFADRO Cc1sc2ncnc(SCC(=O)N3C[C@@H]4CCC[C@]4(C[NH3+])C3)c2c1C ZINC000653197513 565959730 /nfs/dbraw/zinc/95/97/30/565959730.db2.gz HAPOGGZPLYMNLI-UGSOOPFHSA-N 1 0 376.551 2.988 20 0 GFADRO CCO[C@@H]1CN(C(=O)[C@H](CC)Cc2ccccc2Br)C[C@H]1C[NH3+] ZINC000653247273 565960054 /nfs/dbraw/zinc/96/00/54/565960054.db2.gz UHFYGSWWOKVPKH-FRFSOERESA-N 1 0 383.330 2.840 20 0 GFADRO CCO[C@@H]1CN(C(=O)c2ccn(-c3ccc(Cl)cc3Cl)n2)C[C@H]1C[NH3+] ZINC000653248551 565960113 /nfs/dbraw/zinc/96/01/13/565960113.db2.gz WOCULDHBCIXIAN-BDJLRTHQSA-N 1 0 383.279 2.615 20 0 GFADRO CC(C)c1n[nH]c(C(=O)N2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)c1Br ZINC000653262530 565960236 /nfs/dbraw/zinc/96/02/36/565960236.db2.gz FNRSGQSXADNNON-UPJWGTAASA-N 1 0 399.333 2.797 20 0 GFADRO CCn1cc(Br)cc1C(=O)N1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000653262290 565960363 /nfs/dbraw/zinc/96/03/63/565960363.db2.gz BZAPFRAZXYJNRT-IIAWOOMASA-N 1 0 384.318 2.772 20 0 GFADRO CC(C)c1n[nH]c(C(=O)N2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)c1Br ZINC000653262532 565960564 /nfs/dbraw/zinc/96/05/64/565960564.db2.gz FNRSGQSXADNNON-YNEHKIRRSA-N 1 0 399.333 2.797 20 0 GFADRO CC[N@@H+]1CCN([C@H](C)C(=O)N(C)Cc2ccc(Br)cc2)C[C@H]1C ZINC000677194806 565963561 /nfs/dbraw/zinc/96/35/61/565963561.db2.gz KEUIDNZRCASZIL-HUUCEWRRSA-N 1 0 382.346 2.822 20 0 GFADRO C[NH+](C)CCN(CC1CCCCC1)C(=O)NCc1n[nH]cc1Br ZINC000606694671 565969632 /nfs/dbraw/zinc/96/96/32/565969632.db2.gz HBPVJBKNDXDQEM-UHFFFAOYSA-N 1 0 386.338 2.826 20 0 GFADRO Cc1cc(CNC(=O)N(CC[NH+](C)C)Cc2ccc(Br)cc2)[nH]n1 ZINC000606696063 565969800 /nfs/dbraw/zinc/96/98/00/565969800.db2.gz RFHRKLIWGBJQIA-UHFFFAOYSA-N 1 0 394.317 2.754 20 0 GFADRO CCN([C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)S(=O)(=O)c1c[nH]c(=O)s1 ZINC000631783083 565974422 /nfs/dbraw/zinc/97/44/22/565974422.db2.gz IEHSOKWFCRFDAW-ZFWWWQNUSA-N 1 0 381.523 2.695 20 0 GFADRO C[NH+](C)CCCNC(=O)NCCCOc1ncc(C(F)(F)F)cc1Cl ZINC000677472410 565975093 /nfs/dbraw/zinc/97/50/93/565975093.db2.gz PSJQOPKMDBULFG-UHFFFAOYSA-N 1 0 382.814 2.774 20 0 GFADRO [NH3+][C@@H]1CCCCCN(CC(=O)Nc2c(F)cc(F)cc2Br)C1 ZINC000631832753 565978547 /nfs/dbraw/zinc/97/85/47/565978547.db2.gz MJFSHTIPSYVQAM-LLVKDONJSA-N 1 0 376.245 2.869 20 0 GFADRO C[C@@H]1COCC[N@@H+]1C1CCN(Cc2cn3cc(Br)ccc3n2)CC1 ZINC000653688207 565978680 /nfs/dbraw/zinc/97/86/80/565978680.db2.gz MVXSCQHYMDRPHE-CQSZACIVSA-N 1 0 393.329 2.782 20 0 GFADRO CN(C1CC[NH2+]CC1)S(=O)(=O)NCC(C)(C)c1ccc(Cl)c(Cl)c1 ZINC000631917942 565983184 /nfs/dbraw/zinc/98/31/84/565983184.db2.gz XFNHWAHDVLAMMM-UHFFFAOYSA-N 1 0 394.368 2.789 20 0 GFADRO O=S(=O)(c1cscc1Br)N1CCC2(CC[NH2+]CC2)CC1 ZINC000631930245 565983318 /nfs/dbraw/zinc/98/33/18/565983318.db2.gz AXHHYXWLZBPPMW-UHFFFAOYSA-N 1 0 379.345 2.665 20 0 GFADRO Cn1cnnc1N1CC[NH+](CC/C=C\c2ccc(Br)cc2)CC1 ZINC000653819176 565983964 /nfs/dbraw/zinc/98/39/64/565983964.db2.gz QLUDQTYYPSJSHX-RQOWECAXSA-N 1 0 376.302 2.803 20 0 GFADRO C[C@H]1C[C@H]([NH3+])CCN1S(=O)(=O)c1cnc2c(Br)csc2c1 ZINC000631949234 565985496 /nfs/dbraw/zinc/98/54/96/565985496.db2.gz YDUSECYYLHOYMA-DTWKUNHWSA-N 1 0 390.328 2.559 20 0 GFADRO C[C@H](O)C[N@H+](C[C@H](O)COc1ccc(Cl)cc1Br)C1CC1 ZINC000653898960 565987158 /nfs/dbraw/zinc/98/71/58/565987158.db2.gz UQBPWTJPUGHBQA-GWCFXTLKSA-N 1 0 378.694 2.687 20 0 GFADRO CN(C(=O)[C@]12CCC(=O)N1c1cc(Cl)ccc1S2)[C@@H]1CCC[N@H+](C)C1 ZINC000607687069 565987128 /nfs/dbraw/zinc/98/71/28/565987128.db2.gz AGMVHEVJHYYJCA-FZKQIMNGSA-N 1 0 379.913 2.821 20 0 GFADRO CCC(C)(C)[NH+]1CCN(C(=O)Nc2nc3cc(Br)ccn3n2)CC1 ZINC000654106462 565998193 /nfs/dbraw/zinc/99/81/93/565998193.db2.gz GSGLLZKCJUBHEI-UHFFFAOYSA-N 1 0 395.305 2.830 20 0 GFADRO C[N@@H+]1CCC[C@H]2CN(S(=O)(=O)c3cscc3Br)CC[C@@H]21 ZINC000632112089 566000540 /nfs/dbraw/zinc/00/05/40/566000540.db2.gz MSCHAQZTWVUMRL-JQWIXIFHSA-N 1 0 379.345 2.615 20 0 GFADRO Cc1c(Br)cccc1C[C@H](CO)CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC000654252190 566002498 /nfs/dbraw/zinc/00/24/98/566002498.db2.gz KGKOROFBODWNDI-YOEHRIQHSA-N 1 0 383.330 2.509 20 0 GFADRO Cc1c(Br)cccc1C[C@@H](CO)CNC(=O)[C@H]1CCCC[N@H+]1C ZINC000654252188 566002845 /nfs/dbraw/zinc/00/28/45/566002845.db2.gz KGKOROFBODWNDI-RHSMWYFYSA-N 1 0 383.330 2.509 20 0 GFADRO O=C(N[C@H]1CCC[N@@H+]2CCCC[C@H]12)c1cc(Br)c2c(c1)OCCO2 ZINC000654312535 566004603 /nfs/dbraw/zinc/00/46/03/566004603.db2.gz WTFCBCLMHLSTEI-LSDHHAIUSA-N 1 0 395.297 2.967 20 0 GFADRO C[C@H](CNC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)Oc1cccc(Br)c1 ZINC000654465676 566011451 /nfs/dbraw/zinc/01/14/51/566011451.db2.gz WGUUAACZJJSROV-NFAWXSAZSA-N 1 0 384.318 2.856 20 0 GFADRO C[NH+](C)C1(CNC(=O)N2CCOc3cccc(Br)c3C2)CCC1 ZINC000654539844 566013419 /nfs/dbraw/zinc/01/34/19/566013419.db2.gz XOBLADSWNMHARM-UHFFFAOYSA-N 1 0 382.302 2.837 20 0 GFADRO C[C@@H]([NH2+]C[C@H](O)COC[C@H]1CCCO1)c1ccc(F)c(Br)c1 ZINC000678768198 566019660 /nfs/dbraw/zinc/01/96/60/566019660.db2.gz GBKMKNJGLICPEA-KWCYVHTRSA-N 1 0 376.266 2.795 20 0 GFADRO O=C(C[NH2+]C1(c2ccc(Br)cc2)CC1)N1CCOC[C@@H]1C1CC1 ZINC000678755233 566019786 /nfs/dbraw/zinc/01/97/86/566019786.db2.gz SQDSRAHLZLSTNQ-MRXNPFEDSA-N 1 0 379.298 2.665 20 0 GFADRO O=S1(=O)CC[C@H]([NH2+]CCN2CCc3sccc3C2)c2cc(F)ccc21 ZINC000678805905 566020483 /nfs/dbraw/zinc/02/04/83/566020483.db2.gz HIAOAKSMGDRYFK-INIZCTEOSA-N 1 0 380.510 2.754 20 0 GFADRO CSc1cc(Br)ccc1C(=O)NC[C@@H](C)N1CC[NH+](C)CC1 ZINC000654783219 566023157 /nfs/dbraw/zinc/02/31/57/566023157.db2.gz AABKDWMFNUUIKB-GFCCVEGCSA-N 1 0 386.359 2.537 20 0 GFADRO CSc1cc(Br)ccc1C[NH2+]CCCN1CCCS1(=O)=O ZINC000678932736 566025945 /nfs/dbraw/zinc/02/59/45/566025945.db2.gz VYYZKZYGPNHWGZ-UHFFFAOYSA-N 1 0 393.372 2.686 20 0 GFADRO O=S1(=O)CCCN1CCC[NH2+]Cc1csc(-c2ccc(Cl)cc2)n1 ZINC000678932354 566026093 /nfs/dbraw/zinc/02/60/93/566026093.db2.gz UQDJMDNZGUDCRM-UHFFFAOYSA-N 1 0 385.942 2.979 20 0 GFADRO CSc1cc(Br)ccc1C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000654860288 566026224 /nfs/dbraw/zinc/02/62/24/566026224.db2.gz FEAWUDZBQANEOJ-CYBMUJFWSA-N 1 0 399.354 2.965 20 0 GFADRO C[C@H](C(=O)N1CCN(C(=O)c2cc3sccc3s2)CC1)[NH+]1CC(C)C1 ZINC000654901398 566028255 /nfs/dbraw/zinc/02/82/55/566028255.db2.gz XELXDHDRAPMSMI-CYBMUJFWSA-N 1 0 377.535 2.587 20 0 GFADRO COC[C@@](C)(CO)[NH2+]Cc1cc(Br)c(OC)c(Br)c1 ZINC000679117209 566030284 /nfs/dbraw/zinc/03/02/84/566030284.db2.gz HDLASJWZOUOEHQ-CYBMUJFWSA-N 1 0 397.107 2.707 20 0 GFADRO O=C(Nc1ccc(Br)c(F)c1)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000654948030 566032036 /nfs/dbraw/zinc/03/20/36/566032036.db2.gz XNXPPCWJPAKLBH-CABCVRRESA-N 1 0 398.276 2.660 20 0 GFADRO CC[NH+](CC)CC[C@@H](CO)NC(=O)c1ccc(Br)cc1SC ZINC000655049333 566037747 /nfs/dbraw/zinc/03/77/47/566037747.db2.gz FJRMVZQQPGORLE-ZDUSSCGKSA-N 1 0 389.359 2.994 20 0 GFADRO C[C@@H]1CN(CC[NH2+][C@@H](c2ccc(Br)cc2)[C@@H]2CCCO2)CCO1 ZINC000679339800 566038744 /nfs/dbraw/zinc/03/87/44/566038744.db2.gz OYHINWLVRQMLAW-JLSDUUJJSA-N 1 0 383.330 2.980 20 0 GFADRO CCOc1cc(Br)c(F)cc1NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC000655092068 566039080 /nfs/dbraw/zinc/03/90/80/566039080.db2.gz UXQZHOUJVXUSIM-UHFFFAOYSA-N 1 0 399.264 2.997 20 0 GFADRO CC(C)N([C@@H]1CC[N@H+](Cc2ccccc2)C1)S(=O)(=O)c1c[nH]c(=O)s1 ZINC000632499728 566039664 /nfs/dbraw/zinc/03/96/64/566039664.db2.gz PVDBHJKJRSVWLB-OAHLLOKOSA-N 1 0 381.523 2.522 20 0 GFADRO C[C@@H](Sc1ccnc2cc(Cl)ccc21)C(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000655096044 566040483 /nfs/dbraw/zinc/04/04/83/566040483.db2.gz ZXRUUSKZONPKSX-RLCCDNCMSA-N 1 0 379.913 2.502 20 0 GFADRO C[N@@H+]1CCC[C@@H](NC(=O)CCC[S@](=O)c2ccc(Br)cc2)C1 ZINC000609548476 566043867 /nfs/dbraw/zinc/04/38/67/566043867.db2.gz CHSNNHJTVDBCLE-PEBXRYMYSA-N 1 0 387.343 2.547 20 0 GFADRO CC(C)[N@H+](C)CCNC(=O)CCC[S@@](=O)c1ccc(Br)cc1 ZINC000609550916 566044215 /nfs/dbraw/zinc/04/42/15/566044215.db2.gz LGAKTAWRMURYBN-JOCHJYFZSA-N 1 0 389.359 2.793 20 0 GFADRO CCOc1ccc(NC(=O)c2cnn(CC[NH+](C)C)c2)cc1Br ZINC000632577915 566046533 /nfs/dbraw/zinc/04/65/33/566046533.db2.gz INZUIWJBQMPACG-UHFFFAOYSA-N 1 0 381.274 2.858 20 0 GFADRO O=C(N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)C1(c2ccc(Br)cc2)CCCC1 ZINC000655299674 566050863 /nfs/dbraw/zinc/05/08/63/566050863.db2.gz ODFCEJKBJNJZDD-DLBZAZTESA-N 1 0 393.325 2.538 20 0 GFADRO C[N@@H+](Cc1ccccc1)C[C@H](O)CN[C@H](CO)c1ccc(Br)cc1 ZINC000679832846 566055067 /nfs/dbraw/zinc/05/50/67/566055067.db2.gz TXTBYQQIPYWCSJ-RTBURBONSA-N 1 0 393.325 2.565 20 0 GFADRO O=C(NC1(c2ccc(Br)cc2)CCOCC1)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000655429318 566055878 /nfs/dbraw/zinc/05/58/78/566055878.db2.gz QODOQGWHWIXPRX-WMZOPIPTSA-N 1 0 393.325 2.961 20 0 GFADRO CCC1([NH+](C)C)CCN(S(=O)(=O)c2cc(OC)c(OC)cc2Cl)CC1 ZINC000632659632 566056703 /nfs/dbraw/zinc/05/67/03/566056703.db2.gz AJGFRHGISRZNPJ-UHFFFAOYSA-N 1 0 390.933 2.852 20 0 GFADRO O=C([C@@H]1Cc2ccccc2C[NH2+]1)N1CCOc2cccc(Br)c2C1 ZINC000655504903 566061089 /nfs/dbraw/zinc/06/10/89/566061089.db2.gz WIIFPHGUEUWIOI-KRWDZBQOSA-N 1 0 387.277 2.885 20 0 GFADRO Cc1c(Br)cccc1CS(=O)(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000655523589 566063408 /nfs/dbraw/zinc/06/34/08/566063408.db2.gz LQHKTYZQYLXRFU-MLGOLLRUSA-N 1 0 389.359 2.859 20 0 GFADRO O=C(CCc1cc(F)ccc1Br)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000680143689 566064804 /nfs/dbraw/zinc/06/48/04/566064804.db2.gz SZGPYKLWBPHDJR-DLBZAZTESA-N 1 0 399.304 2.578 20 0 GFADRO COc1ccc(CCC(=O)N2CCC[C@@H]3C[NH2+]CC[C@H]32)cc1Br ZINC000632860179 566071379 /nfs/dbraw/zinc/07/13/79/566071379.db2.gz JOUNEXWHGFPAIG-GDBMZVCRSA-N 1 0 381.314 2.991 20 0 GFADRO Cc1c(Br)cccc1CS(=O)(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000655603538 566072112 /nfs/dbraw/zinc/07/21/12/566072112.db2.gz JPHGUBYIASLSDA-GOOCMWNKSA-N 1 0 387.343 2.802 20 0 GFADRO CC(C)[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000632863065 566072103 /nfs/dbraw/zinc/07/21/03/566072103.db2.gz GNBZQMOQFCHIOZ-XJKCOSOUSA-N 1 0 383.945 2.756 20 0 GFADRO O=C(N[C@H](CO)C[NH+]1CCCCC1)c1oc2ccccc2c1Br ZINC000632999440 566078444 /nfs/dbraw/zinc/07/84/44/566078444.db2.gz YYFRCAOHVLCBJR-LBPRGKRZSA-N 1 0 381.270 2.772 20 0 GFADRO [NH3+]C[C@H]1CC[C@H](NC(=O)C(=O)Nc2cc(Cl)cc(C(F)(F)F)c2)CC1 ZINC000633038058 566080453 /nfs/dbraw/zinc/08/04/53/566080453.db2.gz VVTKJSANSFFGPM-OTCDBFHCSA-N 1 0 377.794 2.931 20 0 GFADRO O=S(=O)(N[C@H]1CCC[N@@H+]2CCCC[C@H]12)c1cc(F)ccc1OC(F)F ZINC000655669402 566081454 /nfs/dbraw/zinc/08/14/54/566081454.db2.gz ZOUSFUVVMXEFFE-QWHCGFSZSA-N 1 0 378.416 2.722 20 0 GFADRO C[N@@H+]1CCC[C@H](CNC(=O)N[C@@H]2[C@H]3Cc4c(cccc4Br)[C@@H]23)C1 ZINC000633086566 566082702 /nfs/dbraw/zinc/08/27/02/566082702.db2.gz XJXSSDHIRMZGCG-IPALMDDQSA-N 1 0 378.314 2.728 20 0 GFADRO Cc1nn(-c2ccccc2Br)cc1C[NH2+][C@@H](C)Cn1cncn1 ZINC000655722049 566084323 /nfs/dbraw/zinc/08/43/23/566084323.db2.gz VQTYJRREAZZNHX-LBPRGKRZSA-N 1 0 375.274 2.713 20 0 GFADRO CN1CC[NH+]([C@H]2CC[C@@H](NC(=O)c3ccc(Br)s3)CC2)CC1 ZINC000680841174 566084525 /nfs/dbraw/zinc/08/45/25/566084525.db2.gz NNNIOIKJUUGUPW-BETUJISGSA-N 1 0 386.359 2.799 20 0 GFADRO Cc1nn(-c2ccccc2Br)cc1C[NH2+][C@@]1(CCO)CCOC1 ZINC000655766896 566087097 /nfs/dbraw/zinc/08/70/97/566087097.db2.gz LYUHALQIOGJSSV-KRWDZBQOSA-N 1 0 380.286 2.574 20 0 GFADRO CCCOc1c(Br)cc(C[NH2+]C[C@@](C)(CO)OC)cc1OC ZINC000655810230 566090250 /nfs/dbraw/zinc/09/02/50/566090250.db2.gz IZEAQBDWJBUHFI-INIZCTEOSA-N 1 0 376.291 2.734 20 0 GFADRO CCc1csc(CC2CCN(C(=O)N[C@H](CC[NH3+])C(F)(F)F)CC2)n1 ZINC000655910112 566093858 /nfs/dbraw/zinc/09/38/58/566093858.db2.gz UEQCVKZAUNYITF-CYBMUJFWSA-N 1 0 378.464 2.949 20 0 GFADRO C[C@@H](Cc1cc(Br)ccc1F)NC(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000655920523 566094891 /nfs/dbraw/zinc/09/48/91/566094891.db2.gz IARYIDCZAYGGHZ-CPCISQLKSA-N 1 0 386.187 2.708 20 0 GFADRO C[C@H](NC(=O)N[C@H](C[NH3+])C(F)(F)F)c1noc(-c2ccc(Cl)cc2)n1 ZINC000655920111 566095526 /nfs/dbraw/zinc/09/55/26/566095526.db2.gz KTQNGWBTIJFBCN-OIBJUYFYSA-N 1 0 377.754 2.640 20 0 GFADRO [NH3+]C[C@@H](NC(=O)Nc1cc(-c2ccc(Br)s2)[nH]n1)C(F)(F)F ZINC000655931293 566096472 /nfs/dbraw/zinc/09/64/72/566096472.db2.gz IITVWPSGDJAMNJ-SSDOTTSWSA-N 1 0 398.208 2.912 20 0 GFADRO [NH3+]C[C@@H](NC(=O)N[C@H]1CCc2c1ccc(F)c2Br)C(F)(F)F ZINC000655932435 566097973 /nfs/dbraw/zinc/09/79/73/566097973.db2.gz VPDDLMZGMWDYRZ-VHSXEESVSA-N 1 0 384.171 2.764 20 0 GFADRO CC[C@H]1CN(S(=O)(=O)Cc2cccc(Br)c2C)CC[C@@H]1[NH3+] ZINC000655949748 566097985 /nfs/dbraw/zinc/09/79/85/566097985.db2.gz ATKPORUVAKXNHB-WFASDCNBSA-N 1 0 375.332 2.647 20 0 GFADRO COC(=O)C[C@H]1CSCC[N@@H+]1C[C@@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000610781370 566098171 /nfs/dbraw/zinc/09/81/71/566098171.db2.gz IKINKPBWVNYOEZ-NWDGAFQWSA-N 1 0 394.320 2.714 20 0 GFADRO CC[C@H](NC[C@@H](O)C[NH+]1CCCC1)c1ccc(I)cc1 ZINC000610803916 566100577 /nfs/dbraw/zinc/10/05/77/566100577.db2.gz DWFXZQNDJVLDSP-CVEARBPZSA-N 1 0 388.293 2.789 20 0 GFADRO CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]C1CCN(CC(F)F)CC1 ZINC000681366178 566103897 /nfs/dbraw/zinc/10/38/97/566103897.db2.gz DECNGWGQNVVZHH-UHFFFAOYSA-N 1 0 380.888 2.953 20 0 GFADRO Cc1nn(-c2cccc(Br)c2)cc1C[N@@H+]1CCC[C@H](OCCO)C1 ZINC000656251882 566117010 /nfs/dbraw/zinc/11/70/10/566117010.db2.gz NTDVUTUPOCBUAU-SFHVURJKSA-N 1 0 394.313 2.917 20 0 GFADRO CNC(=O)CCC[N@H+](C)Cc1cn(-c2ccccc2Br)nc1C ZINC000656253536 566117834 /nfs/dbraw/zinc/11/78/34/566117834.db2.gz PLDBTCCDBCMQIA-UHFFFAOYSA-N 1 0 379.302 2.901 20 0 GFADRO Cc1cc(Br)cc(NC(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c1 ZINC000681615818 566119044 /nfs/dbraw/zinc/11/90/44/566119044.db2.gz BUEVQQZCBMELCQ-JKSUJKDBSA-N 1 0 382.302 2.820 20 0 GFADRO C[C@H](c1ccc([S@@](C)=O)cc1)[N@H+](C)Cc1cccc(NS(C)(=O)=O)c1 ZINC000611276954 566124282 /nfs/dbraw/zinc/12/42/82/566124282.db2.gz XVZRUMUEKYAOET-JBEBIEQOSA-N 1 0 380.535 2.989 20 0 GFADRO O=C(c1cc2c(c(Br)c1)OCO2)N1CC[NH2+]C2(CCCCC2)C1 ZINC000656363996 566125405 /nfs/dbraw/zinc/12/54/05/566125405.db2.gz YIAHPGHUOKZKEH-UHFFFAOYSA-N 1 0 381.270 2.926 20 0 GFADRO COc1ncc(C(=O)N2CCC(C)([NH+]3CCCC3)CC2)cc1Br ZINC000633949650 566132435 /nfs/dbraw/zinc/13/24/35/566132435.db2.gz REBDKPQKWXHFMA-UHFFFAOYSA-N 1 0 382.302 2.943 20 0 GFADRO Cn1ncc(Br)c1CNC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000633992944 566136628 /nfs/dbraw/zinc/13/66/28/566136628.db2.gz QKCCCUXFTGETBG-OAHLLOKOSA-N 1 0 391.313 2.711 20 0 GFADRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)c1cnc2ncc(Br)cc2c1 ZINC000681999073 566137838 /nfs/dbraw/zinc/13/78/38/566137838.db2.gz ZVZCBQVBKHUTFI-LBPRGKRZSA-N 1 0 377.286 2.806 20 0 GFADRO CC1(C)CN(C(=O)CCCc2cccc(Br)c2)CC[N@@H+]1CCO ZINC000682005482 566138817 /nfs/dbraw/zinc/13/88/17/566138817.db2.gz YVXFXCOPPQESPR-UHFFFAOYSA-N 1 0 383.330 2.687 20 0 GFADRO CC1(C)CN(Cc2ccc(Br)c3cccnc23)CC[N@@H+]1CCO ZINC000682037631 566140693 /nfs/dbraw/zinc/14/06/93/566140693.db2.gz IUFAOYJEUSDYOE-UHFFFAOYSA-N 1 0 378.314 2.886 20 0 GFADRO C[NH+](C)Cc1ccnc(NC(=O)c2cc(Br)cc3c2OCCO3)c1 ZINC000611971509 566146558 /nfs/dbraw/zinc/14/65/58/566146558.db2.gz YVNQGFDACXTKFZ-UHFFFAOYSA-N 1 0 392.253 2.929 20 0 GFADRO O=C(c1c(Cl)cccc1Br)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000612014883 566149040 /nfs/dbraw/zinc/14/90/40/566149040.db2.gz QNAIZOYYBDMFIU-LBPRGKRZSA-N 1 0 387.705 2.897 20 0 GFADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)Nc1ccc(Br)cc1F ZINC000682274078 566149455 /nfs/dbraw/zinc/14/94/55/566149455.db2.gz WEWLBMPUXWNIBD-LBPRGKRZSA-N 1 0 386.265 2.517 20 0 GFADRO CSc1cc(Cl)ccc1NCC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000656656903 566153954 /nfs/dbraw/zinc/15/39/54/566153954.db2.gz KDJKSXDJXCKRQE-HNNXBMFYSA-N 1 0 385.961 2.947 20 0 GFADRO C[C@H]1CCC[C@H](C[NH2+]CCS(=O)(=O)c2cccc(Br)c2)O1 ZINC000656710916 566156019 /nfs/dbraw/zinc/15/60/19/566156019.db2.gz NYWWCOMRRFVVPI-GXTWGEPZSA-N 1 0 376.316 2.770 20 0 GFADRO CS(=O)(=O)CC1(CC[NH2+]C[C@@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000656706240 566156330 /nfs/dbraw/zinc/15/63/30/566156330.db2.gz WYORRDQSQFBABO-GFCCVEGCSA-N 1 0 396.336 2.538 20 0 GFADRO C[C@H](CCc1ccc(Br)cc1)[NH2+]C[C@@H](O)CC1(O)CCOCC1 ZINC000634644027 566163613 /nfs/dbraw/zinc/16/36/13/566163613.db2.gz NFUSKIZPTOKPQR-PBHICJAKSA-N 1 0 386.330 2.652 20 0 GFADRO CC[NH+](CC)CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cnn(C)c1C ZINC000656741549 566163633 /nfs/dbraw/zinc/16/36/33/566163633.db2.gz QNLYCTGUVPTDNK-UHFFFAOYSA-N 1 0 384.933 2.919 20 0 GFADRO O=C1N[C@@H](c2ccccc2Br)C(=O)N1[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000656803813 566166341 /nfs/dbraw/zinc/16/63/41/566166341.db2.gz PHOQBLRUYYTOFY-DOMZBBRYSA-N 1 0 378.270 2.526 20 0 GFADRO Cc1c(Br)cncc1C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000612581871 566166637 /nfs/dbraw/zinc/16/66/37/566166637.db2.gz WKDALXFYRUZNHY-IAGOWNOFSA-N 1 0 396.329 2.650 20 0 GFADRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2nn(C(C)(C)C)cc2Br)C1 ZINC000612647672 566167985 /nfs/dbraw/zinc/16/79/85/566167985.db2.gz CNYZFELMDBXJEA-GXTWGEPZSA-N 1 0 383.334 2.957 20 0 GFADRO C[C@@H](NC(=O)c1cc(-c2ccc(Br)cc2)no1)[C@@H]1CN(C)CCO1 ZINC000612669457 566169622 /nfs/dbraw/zinc/16/96/22/566169622.db2.gz GWKXIYUMTJKWGS-BZNIZROVSA-N 1 0 394.269 2.553 20 0 GFADRO C[NH+](C)CCNS(=O)(=O)c1cc(Cl)c(Cl)cc1Br ZINC000656859090 566169496 /nfs/dbraw/zinc/16/94/96/566169496.db2.gz LKCLOPXWIAWVEL-UHFFFAOYSA-N 1 0 376.103 2.596 20 0 GFADRO C[C@](O)(C[C@H](O)C[NH2+]C[C@H]1CCN(c2cccc(Br)c2)C1)C1CC1 ZINC000634701067 566170399 /nfs/dbraw/zinc/17/03/99/566170399.db2.gz JYRWFOYDNKGKGO-CCKFTAQKSA-N 1 0 397.357 2.777 20 0 GFADRO CC(=O)NC1CCC([NH2+]C[C@H](O)COc2cc(Cl)cc(Cl)c2)CC1 ZINC000634703415 566171014 /nfs/dbraw/zinc/17/10/14/566171014.db2.gz VTYVOESUZRXWKO-GPANFISMSA-N 1 0 375.296 2.770 20 0 GFADRO CC(=O)N1CCC(C[NH2+]C[C@@H](O)COc2cc(Cl)cc(Cl)c2)CC1 ZINC000634703208 566171033 /nfs/dbraw/zinc/17/10/33/566171033.db2.gz RNBDHNQQBDMSKA-MRXNPFEDSA-N 1 0 375.296 2.581 20 0 GFADRO [NH3+]C[C@@H]1CCN(Cc2nnnn2-c2ccccc2Br)c2ccccc21 ZINC000634689282 566171075 /nfs/dbraw/zinc/17/10/75/566171075.db2.gz NBEMWLSSLLESBJ-ZDUSSCGKSA-N 1 0 399.296 2.877 20 0 GFADRO O[C@H](C[NH2+]CCc1cn2c(n1)SCC2)COc1cc(Cl)cc(Cl)c1 ZINC000634710796 566171963 /nfs/dbraw/zinc/17/19/63/566171963.db2.gz FASHZGTWEKTARC-CQSZACIVSA-N 1 0 388.320 2.868 20 0 GFADRO OCC[C@H]([NH2+]C[C@@H](O)COc1cc(Cl)cc(Cl)c1)C1CCOCC1 ZINC000634720776 566172104 /nfs/dbraw/zinc/17/21/04/566172104.db2.gz OYVSFPSQRGLVQF-WBVHZDCISA-N 1 0 378.296 2.500 20 0 GFADRO O[C@@H](C[NH2+]C[C@H](n1cncn1)C(F)(F)F)COc1cc(Cl)ccc1Cl ZINC000634725965 566172839 /nfs/dbraw/zinc/17/28/39/566172839.db2.gz IMNQMAXSOPSCQI-GWCFXTLKSA-N 1 0 399.200 2.718 20 0 GFADRO COC[C@H](C)OC[C@H](O)C[NH2+][C@@H](C)c1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC000634727249 566173260 /nfs/dbraw/zinc/17/32/60/566173260.db2.gz OLVIMEACRSMOGG-GARJFASQSA-N 1 0 376.284 2.933 20 0 GFADRO O=C(N[C@]12CCC[C@@H]1C[NH2+]C2)c1nn(-c2ccc(F)cc2)cc1Br ZINC000634767557 566174359 /nfs/dbraw/zinc/17/43/59/566174359.db2.gz BJWWGUIFVVALKH-DIFFPNOSSA-N 1 0 393.260 2.646 20 0 GFADRO CCOc1c(Br)cc(C(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)cc1OC ZINC000634749549 566174417 /nfs/dbraw/zinc/17/44/17/566174417.db2.gz XSTIOUWTFRKJTG-HDICACEKSA-N 1 0 397.313 2.928 20 0 GFADRO C[C@H](Cc1ccc(F)c(Br)c1)NC(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000612977885 566180182 /nfs/dbraw/zinc/18/01/82/566180182.db2.gz RQDSSTWEIHHIBF-IAQYHMDHSA-N 1 0 384.293 2.961 20 0 GFADRO O=S1(=O)CCC[C@@H]([NH2+]Cc2cnn(-c3ccc(Br)cc3)c2)CC1 ZINC000634978928 566187305 /nfs/dbraw/zinc/18/73/05/566187305.db2.gz QHWRBKRXKDIMGY-OAHLLOKOSA-N 1 0 398.326 2.692 20 0 GFADRO C[C@@H]([NH2+][C@@H]1CCNC(=O)CC1)c1ccc(Br)cc1OCCCO ZINC000634981640 566187866 /nfs/dbraw/zinc/18/78/66/566187866.db2.gz OABKRPAYYHPLJC-OCCSQVGLSA-N 1 0 385.302 2.530 20 0 GFADRO COc1ccc([C@@H](NCc2c(Br)cnn2C)[C@H]2CCC[NH2+]2)cc1 ZINC000635024379 566189421 /nfs/dbraw/zinc/18/94/21/566189421.db2.gz XJIITHSUIYTHIO-NVXWUHKLSA-N 1 0 379.302 2.774 20 0 GFADRO C[NH+](C)CCCC1CCN(S(=O)(=O)c2ncccc2Br)CC1 ZINC000656946588 566190984 /nfs/dbraw/zinc/19/09/84/566190984.db2.gz BYQKHDQZCJYDEA-UHFFFAOYSA-N 1 0 390.347 2.587 20 0 GFADRO C[NH+]1CCC(CCO)(NC(=O)c2cc3cc(Br)sc3[nH]2)CC1 ZINC000613299227 566192702 /nfs/dbraw/zinc/19/27/02/566192702.db2.gz ADOWPPNBPHWLBB-UHFFFAOYSA-N 1 0 386.315 2.569 20 0 GFADRO CC(C)(C[NH+]1CCCC1)NS(=O)(=O)Cc1cc(F)ccc1Br ZINC000657007711 566204359 /nfs/dbraw/zinc/20/43/59/566204359.db2.gz LIZDTZCSRRDSNC-UHFFFAOYSA-N 1 0 393.322 2.882 20 0 GFADRO C[C@H](NC(=O)C1(C[NH+](C)C)CC1)c1cc2c(cc1Br)OCCO2 ZINC000635391523 566209991 /nfs/dbraw/zinc/20/99/91/566209991.db2.gz RJNAMQLQFWZSFF-NSHDSACASA-N 1 0 383.286 2.739 20 0 GFADRO O=S(=O)(NCC1CC[NH+](C2CCOCC2)CC1)c1cccc(Cl)c1F ZINC000657039417 566211523 /nfs/dbraw/zinc/21/15/23/566211523.db2.gz BWNKBINPTAYQTH-UHFFFAOYSA-N 1 0 390.908 2.648 20 0 GFADRO O=S(=O)(NCC1CC[NH+](C2CCOCC2)CC1)c1cc(Cl)ccc1F ZINC000657042573 566211920 /nfs/dbraw/zinc/21/19/20/566211920.db2.gz XUCNCSJFESGQNA-UHFFFAOYSA-N 1 0 390.908 2.648 20 0 GFADRO O=S(=O)(NCC1CC[NH+](C2CCOCC2)CC1)c1ccc(Cl)cc1F ZINC000657041574 566211934 /nfs/dbraw/zinc/21/19/34/566211934.db2.gz XJVOYFCFSOQEIP-UHFFFAOYSA-N 1 0 390.908 2.648 20 0 GFADRO C[N@@H+]1CC[C@@H](CC(=O)NC2(c3cccc(Br)c3)CCOCC2)C1 ZINC000635444640 566213555 /nfs/dbraw/zinc/21/35/55/566213555.db2.gz RPSVYKFRSHWACC-AWEZNQCLSA-N 1 0 381.314 2.913 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@H](NS(=O)(=O)CCc2ccccc2Br)C1 ZINC000657061849 566216280 /nfs/dbraw/zinc/21/62/80/566216280.db2.gz PNKJLDVMHFFFSQ-AWEZNQCLSA-N 1 0 389.359 2.784 20 0 GFADRO C[NH+](C)C[C@@]1(O)CCCN(C(=O)c2cc3c(cc(Br)cc3F)[nH]2)C1 ZINC000683912716 566218487 /nfs/dbraw/zinc/21/84/87/566218487.db2.gz HQVIYFOMBORQEX-KRWDZBQOSA-N 1 0 398.276 2.598 20 0 GFADRO C[C@H](C(=O)N1CCC[C@](O)(C[NH+](C)C)C1)c1ccc(Br)s1 ZINC000683911815 566218823 /nfs/dbraw/zinc/21/88/23/566218823.db2.gz IABKVFFCLSJNAY-NHYWBVRUSA-N 1 0 375.332 2.529 20 0 GFADRO C[NH+](C)CCn1cc(NC(=O)N[C@@H]2C[C@H]2c2cccc(Br)c2)cn1 ZINC000683944585 566219848 /nfs/dbraw/zinc/21/98/48/566219848.db2.gz MAZWGYJPAWBIGP-JKSUJKDBSA-N 1 0 392.301 2.885 20 0 GFADRO C[N@@H+]1CC[C@@H](CC(=O)Nc2nccn2Cc2ccc(Br)cc2)C1 ZINC000635668818 566221613 /nfs/dbraw/zinc/22/16/13/566221613.db2.gz UTQRKDGIOOOHOM-AWEZNQCLSA-N 1 0 377.286 2.974 20 0 GFADRO Nc1c(Cl)c(F)cc(C(=O)NCCCC[N@@H+]2CCC[C@@H]2CO)c1Cl ZINC000635712140 566223006 /nfs/dbraw/zinc/22/30/06/566223006.db2.gz WWLHJSVZXCJDII-SNVBAGLBSA-N 1 0 378.275 2.681 20 0 GFADRO CC[NH+](CC)CCN(Cc1ccc(Cl)cc1)S(=O)(=O)c1cnn(C)c1 ZINC000657122374 566227052 /nfs/dbraw/zinc/22/70/52/566227052.db2.gz VISQYZXSKKSNKE-UHFFFAOYSA-N 1 0 384.933 2.606 20 0 GFADRO COc1cc(Br)ccc1CCC[NH2+]C[C@@H]1CNc2ccnn2C1 ZINC000684200284 566229877 /nfs/dbraw/zinc/22/98/77/566229877.db2.gz IPSHWZWFNHVZPU-CYBMUJFWSA-N 1 0 379.302 2.918 20 0 GFADRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N1CCOc2c(Br)cccc2C1 ZINC000684274442 566231651 /nfs/dbraw/zinc/23/16/51/566231651.db2.gz VGLSNINKZBYHAA-LRDDRELGSA-N 1 0 394.313 2.836 20 0 GFADRO O=C(N[C@H]1CC[N@@H+](C2CC2)C1)N1CCOc2c(Br)cccc2C1 ZINC000684266644 566232034 /nfs/dbraw/zinc/23/20/34/566232034.db2.gz ZJCRNQFTUIKPSW-ZDUSSCGKSA-N 1 0 380.286 2.590 20 0 GFADRO C[C@@H](O)C[N@@H+]1CCN(C(=O)Cc2ccc(Br)c(Cl)c2)[C@@H](C)C1 ZINC000684481092 566236211 /nfs/dbraw/zinc/23/62/11/566236211.db2.gz APXLWPNEFCXVIC-NWDGAFQWSA-N 1 0 389.721 2.559 20 0 GFADRO CC(C)c1nn(-c2ccc(Br)cc2)cc1C[NH2+]C[C@](C)(O)CO ZINC000684536469 566238309 /nfs/dbraw/zinc/23/83/09/566238309.db2.gz HCGGICQERRPNCE-KRWDZBQOSA-N 1 0 382.302 2.591 20 0 GFADRO O=C(CC[N@@H+]1CCC[C@H](Oc2ccccc2)C1)Nc1sccc1-c1nn[nH]n1 ZINC000737845212 598833914 /nfs/dbraw/zinc/83/39/14/598833914.db2.gz XYPPUQAYBXJGFA-HNNXBMFYSA-N 1 0 398.492 2.800 20 0 GFADRO Cc1ccc(C[N@H+](C)Cn2c(C)nnc2-c2cccc(-c3nn[nH]n3)c2)s1 ZINC000737340263 598851707 /nfs/dbraw/zinc/85/17/07/598851707.db2.gz CLYPAFZIGDZTOP-UHFFFAOYSA-N 1 0 380.481 2.893 20 0 GFADRO C[C@@H]([NH2+]C(C)(C)CNC(=O)NCc1cccc(-c2nn[nH]n2)c1)c1ccccc1 ZINC000736129707 598852011 /nfs/dbraw/zinc/85/20/11/598852011.db2.gz FHBSLUXKIXUGNE-OAHLLOKOSA-N 1 0 393.495 2.795 20 0 GFADRO Cc1cccc(C2([NH2+]CC(=O)NCc3ccc(-c4nn[nH]n4)cc3)CCCC2)c1 ZINC000737389130 598871786 /nfs/dbraw/zinc/87/17/86/598871786.db2.gz IPWLESGNWJRMAR-UHFFFAOYSA-N 1 0 390.491 2.850 20 0 GFADRO O=C(CCc1ccc(-c2nn[nH]n2)cc1)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000737851756 598928107 /nfs/dbraw/zinc/92/81/07/598928107.db2.gz ISDHDXOMEPJCAR-HXUWFJFHSA-N 1 0 390.491 2.580 20 0 GFADRO CC[NH+](CC)CCNC(=O)c1cccc(COc2ccccc2-c2nn[nH]n2)c1 ZINC000736530266 598931130 /nfs/dbraw/zinc/93/11/30/598931130.db2.gz HIAVWFSHKBVGHX-UHFFFAOYSA-N 1 0 394.479 2.517 20 0 GFADRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(c2c3ccccc3nnc2-c2nn[nH]n2)C1 ZINC000736236101 598959535 /nfs/dbraw/zinc/95/95/35/598959535.db2.gz GWSCBBJAKBWEPW-RBSFLKMASA-N 1 0 378.484 2.652 20 0 GFADRO O=C(NC[C@H]1CCC[N@@H+]1Cc1ccccc1)Nc1cccc(-c2nn[nH]n2)c1 ZINC000738050104 598963229 /nfs/dbraw/zinc/96/32/29/598963229.db2.gz NSEWQWJJEIJMIC-GOSISDBHSA-N 1 0 377.452 2.653 20 0 GFADRO COc1cc(-c2nn[nH]n2)ccc1OCC[N@@H+]1CCC[C@H](Oc2ccccc2)C1 ZINC000737032452 598988026 /nfs/dbraw/zinc/98/80/26/598988026.db2.gz KYZDVKVCTUIDBR-SFHVURJKSA-N 1 0 395.463 2.798 20 0 GFADRO CSC[C@H](CCO)[NH2+]Cc1cccc(OCc2ccccc2-c2nn[nH]n2)c1 ZINC000737176041 599010786 /nfs/dbraw/zinc/01/07/86/599010786.db2.gz KTTBJFLVFWAOBT-KRWDZBQOSA-N 1 0 399.520 2.649 20 0 GFADRO Cc1cc(N(C)C[C@@H]2CCC[N@H+](C)C2)n2c3ccccc3nc2c1-c1nn[nH]n1 ZINC000737271586 599058327 /nfs/dbraw/zinc/05/83/27/599058327.db2.gz WRVDLHKQQAVNQK-OAHLLOKOSA-N 1 0 390.495 2.754 20 0 GFADRO NC(=O)[C@@H]([NH2+]CCC12CC3CC(CC(C3)C1)C2)c1ccc(-c2nn[nH]n2)cc1 ZINC000737731595 599087759 /nfs/dbraw/zinc/08/77/59/599087759.db2.gz UGGZEQXIEAZHFN-TYUXRXASSA-N 1 0 380.496 2.589 20 0 GFADRO CC[NH+](CC)[C@H]1CCN(c2cc(C)c(-c3nn[nH]n3)c3nc4ccccc4n32)C1 ZINC000821181074 599095439 /nfs/dbraw/zinc/09/54/39/599095439.db2.gz JOIIMZQAXJLSJB-HNNXBMFYSA-N 1 0 390.495 2.897 20 0 GFADRO Fc1cccc(N2CC[NH+](CCCCOc3ccccc3)CC2)c1-c1nn[nH]n1 ZINC000737659974 599131940 /nfs/dbraw/zinc/13/19/40/599131940.db2.gz GXFBEYVLKBGSNB-UHFFFAOYSA-N 1 0 396.470 2.987 20 0 GFADRO COCC[N@H+](CCCc1cccc(OC)c1)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000736995348 599133563 /nfs/dbraw/zinc/13/35/63/599133563.db2.gz RSVUAGXSHQMFOR-UHFFFAOYSA-N 1 0 381.480 2.957 20 0 GFADRO C[C@H]1C[N@H+](CC(=O)Nc2ccc(-c3nn[nH]n3)cc2)CC[C@@H]1c1ccccc1 ZINC000736289257 599146843 /nfs/dbraw/zinc/14/68/43/599146843.db2.gz VCYSCWPHNDVFDK-KXBFYZLASA-N 1 0 376.464 2.931 20 0 GFADRO COc1ccc(C[NH2+]CCc2nc(C(F)(F)F)cs2)cc1-c1nn[nH]n1 ZINC000821814295 599155648 /nfs/dbraw/zinc/15/56/48/599155648.db2.gz ZSLRWPWDDDYSFS-UHFFFAOYSA-N 1 0 384.387 2.683 20 0 GFADRO C[C@@H](C(=O)N(CC[NH+](C)C)Cc1ccc(-c2nn[nH]n2)cc1)c1cccc(F)c1 ZINC000735514817 599183984 /nfs/dbraw/zinc/18/39/84/599183984.db2.gz XDSHQXGYSUZXKI-OAHLLOKOSA-N 1 0 396.470 2.700 20 0 GFADRO C[NH+](C)C1(CNc2c(-c3nn[nH]n3)cnc3c(F)ccc(F)c32)CCCCC1 ZINC000736756783 599254475 /nfs/dbraw/zinc/25/44/75/599254475.db2.gz LTYIVDKCHWXLMD-UHFFFAOYSA-N 1 0 387.438 2.791 20 0 GFADRO C[C@H](C[NH+]1CCCCC1)NC(=O)Nc1ccc(-c2nn[nH]n2)c(C(F)(F)F)c1 ZINC000820262797 599290970 /nfs/dbraw/zinc/29/09/70/599290970.db2.gz ZENCSFNGQFLMRM-LLVKDONJSA-N 1 0 397.405 2.881 20 0 GFADRO C[C@@H]1C[N@@H+](CCCNc2ccc(C(F)(F)F)c(-c3nn[nH]n3)c2)C[C@H](C)O1 ZINC000820759334 607346095 /nfs/dbraw/zinc/34/60/95/607346095.db2.gz JKVQIWXAAYFVID-TXEJJXNPSA-N 1 0 384.406 2.797 20 0 GFADRO O=C(c1cccc(-c2nn[nH]n2)c1)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000738266565 598234309 /nfs/dbraw/zinc/23/43/09/598234309.db2.gz HKNKJFMICGOEBO-UHFFFAOYSA-N 1 0 390.491 2.647 20 0 GFADRO CN1CC[N@H+](CCCNc2ccc(-c3nn[nH]n3)cc2F)[C@H](c2ccccc2)C1 ZINC000736863631 598236657 /nfs/dbraw/zinc/23/66/57/598236657.db2.gz MQWWAHHBXZTSRB-FQEVSTJZSA-N 1 0 395.486 2.797 20 0 GFADRO O=C(C[NH2+][C@H](c1ccc(F)cc1)C1CCC1)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000737892022 598248357 /nfs/dbraw/zinc/24/83/57/598248357.db2.gz RDZVFRSCFKNKTP-FQEVSTJZSA-N 1 0 394.454 2.753 20 0 GFADRO O=C(Oc1ccccc1)N1CCC[N@H+](Cc2ccccc2-c2nn[nH]n2)CC1 ZINC000738246680 598258772 /nfs/dbraw/zinc/25/87/72/598258772.db2.gz JCGVOMFMIKTSCE-UHFFFAOYSA-N 1 0 378.436 2.573 20 0 GFADRO Cc1cc(Oc2ccc(-c3nn[nH]n3)cc2)ccc1NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000737278629 598259138 /nfs/dbraw/zinc/25/91/38/598259138.db2.gz CBJHKOXDOWZPJN-OAHLLOKOSA-N 1 0 378.436 2.858 20 0 GFADRO O=C(Nc1ccc(-c2nn[nH]n2)c(Cl)c1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000738152447 598264287 /nfs/dbraw/zinc/26/42/87/598264287.db2.gz UAERUYHAIZYPIU-CYBMUJFWSA-N 1 0 375.864 2.612 20 0 GFADRO C[C@@H]1C[N@H+](Cc2ccccc2-c2nn[nH]n2)CCN1c1nc2ccccc2o1 ZINC000736291652 598364502 /nfs/dbraw/zinc/36/45/02/598364502.db2.gz XGLXHROQPGWJLH-CQSZACIVSA-N 1 0 375.436 2.719 20 0 GFADRO c1cc(-c2nn[nH]n2)ccc1OCC[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000738413280 598384778 /nfs/dbraw/zinc/38/47/78/598384778.db2.gz RVSOOMUQVRCXIY-SFHVURJKSA-N 1 0 393.447 2.854 20 0 GFADRO O[C@@H](c1ccccc1)[C@@H]1CCCC[N@@H+]1CCOc1ccccc1-c1nn[nH]n1 ZINC000738387262 598396685 /nfs/dbraw/zinc/39/66/85/598396685.db2.gz OZMVDVKYZUPBMK-ICSRJNTNSA-N 1 0 379.464 2.834 20 0 GFADRO COc1ccc(C)cc1[C@H](C)[NH2+][C@@H](C)C(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000737076490 598431403 /nfs/dbraw/zinc/43/14/03/598431403.db2.gz RJDBWLPZBYGLSG-KBPBESRZSA-N 1 0 380.452 2.862 20 0 GFADRO O=C(NCc1ccccc1C[NH+]1CCCCC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000030544830 598459147 /nfs/dbraw/zinc/45/91/47/598459147.db2.gz IQQZOXQOCFOZGL-UHFFFAOYSA-N 1 0 376.464 2.783 20 0 GFADRO C[C@H]1CO[C@@H](c2ccccc2)C[N@@H+]1CCC(=O)Nc1ccccc1-c1nn[nH]n1 ZINC000736291555 598460514 /nfs/dbraw/zinc/46/05/14/598460514.db2.gz FPHNCZNNGFYXQO-HNAYVOBHSA-N 1 0 392.463 2.657 20 0 GFADRO CC(C)C[NH+]1CCC(NC(=O)N(Cc2ccc(-c3nn[nH]n3)cc2)C2CC2)CC1 ZINC000735830856 598477653 /nfs/dbraw/zinc/47/76/53/598477653.db2.gz KFOZOJYRVFNCFK-UHFFFAOYSA-N 1 0 397.527 2.661 20 0 GFADRO CCSc1ccc([C@H](C)[NH2+]C[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)cc1 ZINC000736667520 598529366 /nfs/dbraw/zinc/52/93/66/598529366.db2.gz SFEUCIGRVLIHEL-STQMWFEESA-N 1 0 384.513 2.568 20 0 GFADRO CC[NH+](CC)[C@@H](CNC(=O)[C@@H](C)Oc1ccccc1-c1nn[nH]n1)CC(C)C ZINC000736532311 598557482 /nfs/dbraw/zinc/55/74/82/598557482.db2.gz ANTQUAQYNKTGQJ-HZPDHXFCSA-N 1 0 388.516 2.507 20 0 GFADRO C[C@H](Cn1cccn1)[NH2+]Cc1cccc(OCc2ccccc2-c2nn[nH]n2)c1 ZINC000736080901 598561369 /nfs/dbraw/zinc/56/13/69/598561369.db2.gz QNBVUXMSUUMBGB-MRXNPFEDSA-N 1 0 389.463 2.821 20 0 GFADRO C[C@@H]([NH2+]C(C)(C)CNC(=O)Cc1ccc(-c2nn[nH]n2)cc1)c1ccccc1 ZINC000736128485 598589294 /nfs/dbraw/zinc/58/92/94/598589294.db2.gz XMNSDGPQKKTDHP-OAHLLOKOSA-N 1 0 378.480 2.655 20 0 GFADRO Clc1ccc(-c2noc(CC[NH2+]Cc3cccc(-c4nn[nH]n4)c3)n2)cc1 ZINC000737571256 598596906 /nfs/dbraw/zinc/59/69/06/598596906.db2.gz YNPXUZJLFTXQDY-UHFFFAOYSA-N 1 0 381.827 2.902 20 0 GFADRO c1cc([C@@H]2CCC[N@H+]2CCOc2ccc(-c3nn[nH]n3)cc2)cc2c1OCO2 ZINC000738412621 598615020 /nfs/dbraw/zinc/61/50/20/598615020.db2.gz IZTZUFSQKDQEOU-KRWDZBQOSA-N 1 0 379.420 2.811 20 0 GFADRO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)Nc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC000736226842 598628616 /nfs/dbraw/zinc/62/86/16/598628616.db2.gz IHTHRYHAEAZWLF-KBPBESRZSA-N 1 0 389.479 2.885 20 0 GFADRO O=C(NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000738024769 598668787 /nfs/dbraw/zinc/66/87/87/598668787.db2.gz YPJQIIXLQSZNSO-IHWFROFDSA-N 1 0 388.475 2.792 20 0 GFADRO C[NH+](C)CCCOc1cccc(NC(=O)CCc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000736767332 598669597 /nfs/dbraw/zinc/66/95/97/598669597.db2.gz OVDGOWWACLISCO-UHFFFAOYSA-N 1 0 394.479 2.769 20 0 GFADRO CCC[N@H+](CC(=O)Nc1ccccc1OC)Cc1ccc(F)cc1-c1nn[nH]n1 ZINC000736469705 598678619 /nfs/dbraw/zinc/67/86/19/598678619.db2.gz LBAHPUTZRAUQHW-UHFFFAOYSA-N 1 0 398.442 2.865 20 0 GFADRO O=C(CC[N@@H+]1CC[C@@H](c2ccco2)C1)Nc1sc2c(c1-c1nn[nH]n1)CCC2 ZINC000737840151 598706172 /nfs/dbraw/zinc/70/61/72/598706172.db2.gz ZRDXTCNIWWJDJH-GFCCVEGCSA-N 1 0 398.492 2.828 20 0 GFADRO O[C@H](COc1ccc(-c2nn[nH]n2)cc1)C[N@@H+]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000738383426 598708933 /nfs/dbraw/zinc/70/89/33/598708933.db2.gz BLUZOEOLWWCVCF-AEFFLSMTSA-N 1 0 399.882 2.749 20 0 GFADRO c1cc(-c2nn[nH]n2)ccc1OCCN1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000738412977 598717492 /nfs/dbraw/zinc/71/74/92/598717492.db2.gz OWAPDXQRIYDXCD-SFHVURJKSA-N 1 0 384.528 2.834 20 0 GFADRO C[C@H](Cc1ccccc1)C(=O)N(CC[NH+](C)C)Cc1cccc(-c2nn[nH]n2)c1 ZINC000736059450 598742525 /nfs/dbraw/zinc/74/25/25/598742525.db2.gz SLTFXNDHJYTQNJ-QGZVFWFLSA-N 1 0 392.507 2.636 20 0 GFADRO C[C@@H](C(=O)N1CCCCCC1)[NH+]1CCC(Oc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000735517558 598765868 /nfs/dbraw/zinc/76/58/68/598765868.db2.gz CIXJEWMYUHHYOU-INIZCTEOSA-N 1 0 398.511 2.501 20 0 GFADRO O[C@@H](C[NH2+]C1(c2ccc(F)cc2)CCCC1)COc1ccc(-c2nn[nH]n2)cc1 ZINC000738382871 598812171 /nfs/dbraw/zinc/81/21/71/598812171.db2.gz RWKAARQGRQPMJO-SFHVURJKSA-N 1 0 397.454 2.805 20 0 GFADRO Cc1cc(N(C)[C@H]2CC[N@@H+](C3CC3)C2)n2c3ccccc3nc2c1-c1nn[nH]n1 ZINC000737271104 598816287 /nfs/dbraw/zinc/81/62/87/598816287.db2.gz RNMYZACRYQXITQ-HNNXBMFYSA-N 1 0 388.479 2.649 20 0 GFADRO CC(C)[N@@H+]1CCCN(C(=O)Nc2ccc(-c3nn[nH]n3)c(C(F)(F)F)c2)CC1 ZINC000820132981 599293601 /nfs/dbraw/zinc/29/36/01/599293601.db2.gz PETHXWKIOZUQQW-UHFFFAOYSA-N 1 0 397.405 2.834 20 0 GFADRO C[C@H](c1ccc(-c2nn[nH]n2)cc1)[N@@H+]1CCC[C@H](C(=O)Nc2ccccn2)C1 ZINC000736197751 599308672 /nfs/dbraw/zinc/30/86/72/599308672.db2.gz ORTWPPATVHKULF-PBHICJAKSA-N 1 0 377.452 2.673 20 0 GFADRO C[C@H](c1ccc(-c2nn[nH]n2)cc1)[NH+]1CCC(C(=O)N2CCC[C@H](C)C2)CC1 ZINC000736267970 599309805 /nfs/dbraw/zinc/30/98/05/599309805.db2.gz VHSFDYBZMWRDOZ-JKSUJKDBSA-N 1 0 382.512 2.898 20 0 GFADRO C[C@H](c1ccc(-c2nn[nH]n2)cc1)[NH+]1CCN(c2nc3ccccc3o2)CC1 ZINC000736199453 599316974 /nfs/dbraw/zinc/31/69/74/599316974.db2.gz PFDCXPYIXWEALR-CQSZACIVSA-N 1 0 375.436 2.891 20 0 GFADRO CN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000736818407 599350678 /nfs/dbraw/zinc/35/06/78/599350678.db2.gz OYAAQJUQFGSXGG-UHFFFAOYSA-N 1 0 385.431 2.699 20 0 GFADRO O=C(OCc1cccc(-c2nn[nH]n2)c1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000738233727 599366781 /nfs/dbraw/zinc/36/67/81/599366781.db2.gz STWXUEHXFHEQIA-LJQANCHMSA-N 1 0 377.448 2.822 20 0 GFADRO COc1ccc(C[NH2+]Cc2cc(Cl)c3c(c2)OCCO3)cc1-c1nn[nH]n1 ZINC000821818515 599399758 /nfs/dbraw/zinc/39/97/58/599399758.db2.gz UYAFSEMSRQLKSI-UHFFFAOYSA-N 1 0 387.827 2.590 20 0 GFADRO CCN(CC)[C@H](C[NH2+]Cc1ccc(OC)c(-c2nn[nH]n2)c1)Cc1ccccc1 ZINC000821181710 599403197 /nfs/dbraw/zinc/40/31/97/599403197.db2.gz PBLSUVRFNGQOKU-IBGZPJMESA-N 1 0 394.523 2.918 20 0 GFADRO COc1ccc(C[NH2+]Cc2ccc(N3CCC(C)CC3)nc2)cc1-c1nn[nH]n1 ZINC000821818521 599407099 /nfs/dbraw/zinc/40/70/99/599407099.db2.gz VDWUDFUTQZPJPW-UHFFFAOYSA-N 1 0 393.495 2.796 20 0 GFADRO COc1ccc(C[NH2+][C@@H](c2ccc3c(c2)OCCO3)C2CC2)cc1-c1nn[nH]n1 ZINC000821805313 599412866 /nfs/dbraw/zinc/41/28/66/599412866.db2.gz SYKXBOSEQNZLCV-HXUWFJFHSA-N 1 0 393.447 2.887 20 0 GFADRO FC(F)(F)c1ccn(-c2ccc(C[NH2+]Cc3ccc(-c4nn[nH]n4)o3)cc2)n1 ZINC000822728693 599418215 /nfs/dbraw/zinc/41/82/15/599418215.db2.gz JMJXFROSRCWNML-UHFFFAOYSA-N 1 0 389.341 2.954 20 0 GFADRO COCc1ccc(C[NH2+]C2CCN(c3ccc(-c4nn[nH]n4)cc3)CC2)cc1 ZINC000821694908 599419496 /nfs/dbraw/zinc/41/94/96/599419496.db2.gz AJVRFSKYBKQTOD-UHFFFAOYSA-N 1 0 378.480 2.772 20 0 GFADRO COc1ccc(C[NH+]2CCC(CNc3cccc(-c4nn[nH]n4)n3)CC2)cc1 ZINC000737091309 599419976 /nfs/dbraw/zinc/41/99/76/599419976.db2.gz SUDPBCKYSBVBPX-UHFFFAOYSA-N 1 0 379.468 2.594 20 0 GFADRO C[C@@H](NC(=O)NCCCCC[NH+]1CCCCC1)c1cccc(-c2nn[nH]n2)c1 ZINC000820366946 599439144 /nfs/dbraw/zinc/43/91/44/599439144.db2.gz QIMVLJQPJJUEKO-MRXNPFEDSA-N 1 0 385.516 2.883 20 0 GFADRO COc1ccc(C[NH2+]Cc2ccc(OC)c(-c3nn[nH]n3)c2)c(OC(F)F)c1 ZINC000821818262 599448325 /nfs/dbraw/zinc/44/83/25/599448325.db2.gz MWGSWORWHMMPEF-UHFFFAOYSA-N 1 0 391.378 2.775 20 0 GFADRO C[C@@H](NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cccc(-c2nn[nH]n2)c1 ZINC000820360340 599481264 /nfs/dbraw/zinc/48/12/64/599481264.db2.gz YFCYIKKHQZOSDL-DNVCBOLYSA-N 1 0 391.479 2.501 20 0 GFADRO COc1cccc([C@H](C)[NH+]2CCN(c3ccc(F)cc3-c3nn[nH]n3)CC2)c1 ZINC000821857919 599526103 /nfs/dbraw/zinc/52/61/03/599526103.db2.gz BIJJXJDILGROIB-AWEZNQCLSA-N 1 0 382.443 2.898 20 0 GFADRO CCc1ccc(C[NH+]2CCN(c3nc4c(cc3-c3nn[nH]n3)CCC4)CC2)s1 ZINC000736692690 599528258 /nfs/dbraw/zinc/52/82/58/599528258.db2.gz VBJVUALVRZKCTH-UHFFFAOYSA-N 1 0 395.536 2.697 20 0 GFADRO C[C@@H]1C[C@@H](N(C)C(=O)c2ccc(-c3nn[nH]n3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000736231840 599554852 /nfs/dbraw/zinc/55/48/52/599554852.db2.gz YGBMQKNIHZUXKD-UZLBHIALSA-N 1 0 390.491 2.992 20 0 GFADRO CCC[N@H+](C)C[C@H]1CCN(C(=O)Nc2cc(-c3nn[nH]n3)cn2C(C)(C)C)C1 ZINC000821088324 599555483 /nfs/dbraw/zinc/55/54/83/599555483.db2.gz LAHFKFUSANENOM-CQSZACIVSA-N 1 0 388.520 2.619 20 0 GFADRO CC[NH+](CC)C[C@H]1CCN(C(=O)Nc2cc(-c3nn[nH]n3)cn2C(C)(C)C)C1 ZINC000821180799 599556046 /nfs/dbraw/zinc/55/60/46/599556046.db2.gz HNEVUICNGWDCPZ-CQSZACIVSA-N 1 0 388.520 2.619 20 0 GFADRO Cc1ccc([C@@H](O)C[NH+]2CCC(Oc3cccc(-c4nn[nH]n4)c3)CC2)cc1 ZINC000822230502 599572615 /nfs/dbraw/zinc/57/26/15/599572615.db2.gz IOWYZGCIGJRERX-FQEVSTJZSA-N 1 0 379.464 2.752 20 0 GFADRO C[N@@H+]1CCCN(Cc2cccc(OCc3cccc(-c4nn[nH]n4)c3)c2)CC1 ZINC000821625300 607384800 /nfs/dbraw/zinc/38/48/00/607384800.db2.gz KQFGENZTDALSGC-UHFFFAOYSA-N 1 0 378.480 2.583 20 0 GFADRO O[C@H](C[C@H]1CCC[N@@H+]1CCOc1ccc(-c2nn[nH]n2)cc1)c1ccccc1 ZINC000823672659 599593457 /nfs/dbraw/zinc/59/34/57/599593457.db2.gz FTMWTIPLJRIIMH-UYAOXDASSA-N 1 0 379.464 2.834 20 0 GFADRO C[C@@H]1CC[N@H+](C[C@H](O)COc2ccc(-c3nn[nH]n3)cc2)[C@@H](c2ccco2)C1 ZINC000820723040 599594453 /nfs/dbraw/zinc/59/44/53/599594453.db2.gz UOADFSIROUWWIR-UWWQBHOKSA-N 1 0 383.452 2.673 20 0 GFADRO O=c1[nH]c2ccccc2n1C1CC[NH+](Cc2ccccc2-c2nn[nH]n2)CC1 ZINC000823656772 599646889 /nfs/dbraw/zinc/64/68/89/599646889.db2.gz HOLPDEVWXLGUCH-UHFFFAOYSA-N 1 0 375.436 2.759 20 0 GFADRO Cc1cc[nH+]c(NC[C@H]2CC[N@@H+]([C@H](C)C(=O)NCc3ccc(C(=O)[O-])cc3)C2)c1 ZINC000738798443 600096722 /nfs/dbraw/zinc/09/67/22/600096722.db2.gz QGOQOABKSINPFM-SJLPKXTDSA-N 1 0 396.491 2.527 20 0 GFADRO Cc1cc(-c2nn[nH]n2)ccc1C(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000826247397 607431008 /nfs/dbraw/zinc/43/10/08/607431008.db2.gz BNOUWGULEKRNEO-HNNXBMFYSA-N 1 0 391.479 2.526 20 0 GFADRO CC(C)Oc1ccc(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc1-c1nn[nH]n1 ZINC000820165301 607432995 /nfs/dbraw/zinc/43/29/95/607432995.db2.gz OOWOEAQUENACKO-WMLDXEAASA-N 1 0 399.499 2.602 20 0 GFADRO O=C([O-])c1ccc(OCC[NH+]2CCC(CC[NH+]3CCOCC3)CC2)c(Cl)c1 ZINC000833321141 600821291 /nfs/dbraw/zinc/82/12/91/600821291.db2.gz JLEWYXLPVWNYIG-UHFFFAOYSA-N 1 0 396.915 2.851 20 0 GFADRO OCCC[N@H+](CCOc1ccccc1-c1nn[nH]n1)Cc1cccc(Cl)c1 ZINC000826509685 607474085 /nfs/dbraw/zinc/47/40/85/607474085.db2.gz DVALFKYPOYTSSO-UHFFFAOYSA-N 1 0 387.871 2.784 20 0 GFADRO Clc1ccc(CN2CCC[N@H+](Cc3ccnc(-c4nn[nH]n4)c3)CC2)cc1 ZINC000826352362 607480791 /nfs/dbraw/zinc/48/07/91/607480791.db2.gz YCSKDUNBNLDQQQ-UHFFFAOYSA-N 1 0 383.887 2.623 20 0 GFADRO CC(C)[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)NC(=O)OC(C)(C)C ZINC000820021816 607481949 /nfs/dbraw/zinc/48/19/49/607481949.db2.gz YZIQUUIKVNXPNV-OAHLLOKOSA-N 1 0 378.452 2.645 20 0 GFADRO c1cc(-c2nn[nH]n2)ccc1OCCC[N@@H+]1CC[C@H]2[C@H](CCCN2C2CC2)C1 ZINC000826514047 607478393 /nfs/dbraw/zinc/47/83/93/607478393.db2.gz FQKYQMYPQOQKDG-XLIONFOSSA-N 1 0 382.512 2.584 20 0 GFADRO CCN1C[C@H](C[N@H+](C)Cc2cc(-c3nn[nH]n3)ccc2OC)Oc2ccccc21 ZINC000825452448 607513209 /nfs/dbraw/zinc/51/32/09/607513209.db2.gz OPJHPAQMLIPXOA-KRWDZBQOSA-N 1 0 394.479 2.595 20 0 GFADRO CC[NH+]1CCN(c2ccccc2NC(=O)c2ccc(-c3nn[nH]n3)cc2C)CC1 ZINC000825464233 607654495 /nfs/dbraw/zinc/65/44/95/607654495.db2.gz AIKLWENCOWBYMO-UHFFFAOYSA-N 1 0 391.479 2.569 20 0 GFADRO Cc1cc(-c2nn[nH]n2)ccc1C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000826245163 607683115 /nfs/dbraw/zinc/68/31/15/607683115.db2.gz PJEXNWPQWMORNS-KRWDZBQOSA-N 1 0 382.512 2.903 20 0 GFADRO Cc1cc(-c2nn[nH]n2)ccc1C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000826243505 607708695 /nfs/dbraw/zinc/70/86/95/607708695.db2.gz KUICJOFZWURDRJ-GOSISDBHSA-N 1 0 376.464 2.522 20 0 GFADRO c1ccc2c(c1)nnc(-c1nn[nH]n1)c2N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000826523195 607734682 /nfs/dbraw/zinc/73/46/82/607734682.db2.gz DPMOOUFJVNWFLH-UHFFFAOYSA-N 1 0 392.511 2.902 20 0 GFADRO CCOC(=O)CC[C@@H]1CCC[N@H+](Cc2cn3ccccc3c2-c2nn[nH]n2)C1 ZINC000825506054 607747997 /nfs/dbraw/zinc/74/79/97/607747997.db2.gz COTZLYGFVZDHPQ-HNNXBMFYSA-N 1 0 382.468 2.675 20 0 GFADRO O=C(Nc1ccc(-c2nn[nH]n2)cc1)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000826452017 607757992 /nfs/dbraw/zinc/75/79/92/607757992.db2.gz FNAWSTRGEYWPEO-UHFFFAOYSA-N 1 0 383.500 2.987 20 0 GFADRO O=C(NCc1cc(-c2nn[nH]n2)ccc1F)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000823234804 606024152 /nfs/dbraw/zinc/02/41/52/606024152.db2.gz OGVYFGMBKNLCIF-LJQANCHMSA-N 1 0 394.454 2.677 20 0 GFADRO O=C([O-])N1CCC[C@@H]([NH2+]CCCC[NH+]2CCN(Cc3ccccc3)CC2)CC1 ZINC000834101083 606031012 /nfs/dbraw/zinc/03/10/12/606031012.db2.gz RHAVRQLIOFTXGR-OAQYLSRUSA-N 1 0 388.556 2.707 20 0 GFADRO Cc1cccc(N2CC[NH+](CCCCNc3ccc(-c4nn[nH]n4)nc3)CC2)c1 ZINC000822308719 606045303 /nfs/dbraw/zinc/04/53/03/606045303.db2.gz JAKPGMZPOACLNJ-UHFFFAOYSA-N 1 0 392.511 2.584 20 0 GFADRO COc1ccccc1[C@@H](CNc1ccc(-c2nn[nH]n2)nc1)[NH+]1CCCCC1 ZINC000821883347 606050909 /nfs/dbraw/zinc/05/09/09/606050909.db2.gz UALXZHDRKCFPQN-GOSISDBHSA-N 1 0 379.468 2.909 20 0 GFADRO C[C@H](C(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2)[NH+]1C[C@@H]2CCCC[C@H]2C1 ZINC000819876939 606114918 /nfs/dbraw/zinc/11/49/18/606114918.db2.gz KPWCTRRIHOVMIX-AGIUHOORSA-N 1 0 386.525 2.866 20 0 GFADRO CCSCC[C@@H](C)[N@H+](C)CC(=O)Nc1sc(C)c(C)c1-c1nn[nH]n1 ZINC000821455268 606115957 /nfs/dbraw/zinc/11/59/57/606115957.db2.gz IYEPDGBODLZMNN-SNVBAGLBSA-N 1 0 382.559 2.947 20 0 GFADRO CN(CC[NH+](C)C)C(=O)Nc1ccc(Oc2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000821584621 606132822 /nfs/dbraw/zinc/13/28/22/606132822.db2.gz LTWGCPQDAMHYGD-UHFFFAOYSA-N 1 0 381.440 2.684 20 0 GFADRO C[NH+](C)Cc1ccc(-c2noc(COc3ccccc3-c3nn[nH]n3)n2)cc1 ZINC000821587106 606182542 /nfs/dbraw/zinc/18/25/42/606182542.db2.gz GVMPCBFQXYAROY-UHFFFAOYSA-N 1 0 377.408 2.557 20 0 GFADRO C[C@H]1C[C@H](NC(=O)c2ccc(-c3nn[nH]n3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000820658336 606188037 /nfs/dbraw/zinc/18/80/37/606188037.db2.gz ROWZOPKROHQJPA-HNAYVOBHSA-N 1 0 376.464 2.650 20 0 GFADRO C[C@H](Oc1ccccc1-c1nn[nH]n1)C(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000820542190 606189343 /nfs/dbraw/zinc/18/93/43/606189343.db2.gz MAGSARNPVVYJKU-GTPINHCMSA-N 1 0 398.511 2.547 20 0 GFADRO C[C@H]1C[C@@H](NC(=O)c2sccc2-c2nn[nH]n2)CC[N@@H+]1Cc1ccccc1 ZINC000820659115 606189468 /nfs/dbraw/zinc/18/94/68/606189468.db2.gz WKMLBRLOMHYCON-ZFWWWQNUSA-N 1 0 382.493 2.711 20 0 GFADRO Cn1cc(-c2nn[nH]n2)cc1C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000822641703 606285333 /nfs/dbraw/zinc/28/53/33/606285333.db2.gz XTXNZEKVHIKVQH-UHFFFAOYSA-N 1 0 393.495 2.511 20 0 GFADRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)Nc2ccc(F)cc2-c2nn[nH]n2)C1 ZINC000820570158 606347158 /nfs/dbraw/zinc/34/71/58/606347158.db2.gz DXWIARJYIWGYAR-CJNGLKHVSA-N 1 0 395.442 2.963 20 0 GFADRO Cc1oc(-n2cccc2)c(-c2nn[nH]n2)c1C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000822534936 606374171 /nfs/dbraw/zinc/37/41/71/606374171.db2.gz CTDFPHXSLIGGNY-UHFFFAOYSA-N 1 0 397.483 2.553 20 0 GFADRO c1cc(-c2nnn[n-]2)sc1C[NH2+]CCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000823786664 606411913 /nfs/dbraw/zinc/41/19/13/606411913.db2.gz APFHRMGLIGVAQC-UHFFFAOYSA-N 1 0 397.552 2.620 20 0 GFADRO C[NH+](C)CCN(C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)C1CCCC1 ZINC000821584618 606412570 /nfs/dbraw/zinc/41/25/70/606412570.db2.gz LKOIRPMQTFBRSW-UHFFFAOYSA-N 1 0 377.880 2.858 20 0 GFADRO O=C1[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CCCN1c1ccccc1Cl ZINC000823513017 606422283 /nfs/dbraw/zinc/42/22/83/606422283.db2.gz RULUATBUFBKCQI-CYBMUJFWSA-N 1 0 388.884 2.867 20 0 GFADRO CC(C)C[N@@H+]1CCO[C@H](CNc2ccc(-c3nn[nH]n3)cc2C(F)(F)F)C1 ZINC000820092749 606441062 /nfs/dbraw/zinc/44/10/62/606441062.db2.gz OSXQVIJBGWTHIW-CYBMUJFWSA-N 1 0 384.406 2.654 20 0 GFADRO c1ccc(CCCO[C@@H]2CC[N@H+](CCOc3ccccc3-c3nn[nH]n3)C2)cc1 ZINC000823780745 606455960 /nfs/dbraw/zinc/45/59/60/606455960.db2.gz VFYVWNOAQDZRPB-LJQANCHMSA-N 1 0 393.491 2.969 20 0 GFADRO Cc1nnc([C@@H]2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3OC(F)F)C2)o1 ZINC000822510830 606487942 /nfs/dbraw/zinc/48/79/42/606487942.db2.gz WPCGEOIZDFDPMY-CYBMUJFWSA-N 1 0 391.382 2.539 20 0 GFADRO FC(F)Oc1cc(-c2nn[nH]n2)ccc1C[NH+]1CCC(Cn2cccn2)CC1 ZINC000822733331 606489259 /nfs/dbraw/zinc/48/92/59/606489259.db2.gz YHFCYDWEJJQBKN-UHFFFAOYSA-N 1 0 389.410 2.577 20 0 GFADRO CC[NH+]1CCN(c2ccc(NC(=O)c3ccc(-c4nn[nH]n4)s3)c(C)c2)CC1 ZINC000821276379 606493498 /nfs/dbraw/zinc/49/34/98/606493498.db2.gz KGKAYDLMGSCCHO-UHFFFAOYSA-N 1 0 397.508 2.631 20 0 GFADRO CC(C)[C@H](C(=O)OCc1ccc(-c2nn[nH]n2)cc1OC(F)F)[NH+]1CCCC1 ZINC000820016995 606559972 /nfs/dbraw/zinc/55/99/72/606559972.db2.gz SBKDYKZOFPTHIF-OAHLLOKOSA-N 1 0 395.410 2.632 20 0 GFADRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000820758814 606581852 /nfs/dbraw/zinc/58/18/52/606581852.db2.gz DFHOKVXHZLCFQU-HNAYVOBHSA-N 1 0 376.464 2.507 20 0 GFADRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)C1 ZINC000820649984 606670047 /nfs/dbraw/zinc/67/00/47/606670047.db2.gz PZUQWPLQHAPXNT-CHWSQXEVSA-N 1 0 392.454 2.633 20 0 GFADRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)C1 ZINC000820570512 606672329 /nfs/dbraw/zinc/67/23/29/606672329.db2.gz LEPXTXIVZNAIOK-WFASDCNBSA-N 1 0 398.417 2.710 20 0 GFADRO C[C@H]([NH2+][C@H]1CCN(c2c(F)cccc2F)C1=O)c1cccc(-c2nn[nH]n2)c1 ZINC000820414263 606711795 /nfs/dbraw/zinc/71/17/95/606711795.db2.gz XEWARBWOHBRLJK-ZBEGNZNMSA-N 1 0 384.390 2.601 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCN(c2c(F)cccc2F)C1=O)c1cccc(-c2nn[nH]n2)c1 ZINC000820414262 606711825 /nfs/dbraw/zinc/71/18/25/606711825.db2.gz XEWARBWOHBRLJK-MEDUHNTESA-N 1 0 384.390 2.601 20 0 GFADRO NC(=O)[C@H]([NH2+]CCc1cccc(-c2ccccc2)c1)c1ccc(-c2nn[nH]n2)cc1 ZINC000822850737 606717527 /nfs/dbraw/zinc/71/75/27/606717527.db2.gz PFQZREJMBQNNTA-OAQYLSRUSA-N 1 0 398.470 2.892 20 0 GFADRO C[C@@]1(c2ccccc2)CC[N@H+](CCC(=O)Nc2cccc(-c3nn[nH]n3)c2)C1 ZINC000820634178 606718272 /nfs/dbraw/zinc/71/82/72/606718272.db2.gz FUTSWXBWNXTJOV-OAQYLSRUSA-N 1 0 376.464 2.859 20 0 GFADRO c1ccc(N2CC[C@H]([NH2+]C3CCN(c4ccc(-c5nn[nH]n5)cc4)CC3)C2)cc1 ZINC000823787261 606722538 /nfs/dbraw/zinc/72/25/38/606722538.db2.gz JOSQZWWMXHCFQQ-IBGZPJMESA-N 1 0 389.507 2.704 20 0 GFADRO CCN1C[C@H]([NH2+]Cc2cccc(OCc3ccccc3-c3nn[nH]n3)c2)[C@@H](C)C1 ZINC000821242587 606733474 /nfs/dbraw/zinc/73/34/74/606733474.db2.gz VJONUUVCLNTENP-KKSFZXQISA-N 1 0 392.507 2.876 20 0 GFADRO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000820761565 606748330 /nfs/dbraw/zinc/74/83/30/606748330.db2.gz XUPVPQXUUTWDRX-IGOJGBNBSA-N 1 0 390.491 2.753 20 0 GFADRO CC(C)CN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000820087518 606810977 /nfs/dbraw/zinc/81/09/77/606810977.db2.gz TVEIWUDVKJTLJR-LPHOPBHVSA-N 1 0 399.543 2.763 20 0 GFADRO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)c2ccccc2-c2ccccc2-c2nn[nH]n2)C1 ZINC000820753182 606818302 /nfs/dbraw/zinc/81/83/02/606818302.db2.gz XHAJQHIKUXXLFR-MGPUTAFESA-N 1 0 390.491 2.992 20 0 GFADRO C[N@@H+](Cc1ccc(OC(F)F)cc1)C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821611189 606844247 /nfs/dbraw/zinc/84/42/47/606844247.db2.gz VAKHLJMAKLHBEC-MRXNPFEDSA-N 1 0 375.379 2.634 20 0 GFADRO O[C@@H](C[NH2+]CCOc1ccc(C(F)(F)F)cc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823681471 606854793 /nfs/dbraw/zinc/85/47/93/606854793.db2.gz DSNPDJOGNMWZJJ-INIZCTEOSA-N 1 0 393.369 2.588 20 0 GFADRO C[N@H+](CCCOc1cccc(Cl)c1)C[C@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821600616 606856044 /nfs/dbraw/zinc/85/60/44/606856044.db2.gz VLGVOJRDOAXJFJ-SFHVURJKSA-N 1 0 387.871 2.954 20 0 GFADRO O[C@H](C[NH2+]Cc1nc2cc(Cl)ccc2s1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823690824 606858498 /nfs/dbraw/zinc/85/84/98/606858498.db2.gz VOBXYQJZIGWAOD-CQSZACIVSA-N 1 0 386.868 2.953 20 0 GFADRO COc1cc2c(cc1OC)C[N@H+](CCCOc1cccc(-c3nn[nH]n3)c1)CC2 ZINC000821728342 606884030 /nfs/dbraw/zinc/88/40/30/606884030.db2.gz UWDBZQDFHXKXRQ-UHFFFAOYSA-N 1 0 395.463 2.711 20 0 GFADRO COc1ccc2c(c1)CCC[C@@H]2[N@H+](C)C[C@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821850138 606889764 /nfs/dbraw/zinc/88/97/64/606889764.db2.gz XCSCDAFLDIHOGK-PMACEKPBSA-N 1 0 379.464 2.918 20 0 GFADRO Cc1ccc(-c2nn[nH]n2)cc1NC(=O)N[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000822218004 606906664 /nfs/dbraw/zinc/90/66/64/606906664.db2.gz VLTDHCZDCYXCJQ-MAUKXSAKSA-N 1 0 391.479 2.960 20 0 GFADRO c1cnn(C[C@H]([NH2+]CCCOc2cccc(-c3nn[nH]n3)c2)c2ccccc2)c1 ZINC000823774043 606928892 /nfs/dbraw/zinc/92/88/92/606928892.db2.gz YBWOEVOBASFHGC-FQEVSTJZSA-N 1 0 389.463 2.863 20 0 GFADRO CC(=O)N1CC[N@H+](Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)[C@H](C)C1 ZINC000819797073 606930650 /nfs/dbraw/zinc/93/06/50/606930650.db2.gz SAKXYUZJUWDGKZ-OAHLLOKOSA-N 1 0 376.464 2.586 20 0 GFADRO C[N@@H+]1CCC[C@@H]2CN(C(=S)Nc3ccc(-c4nn[nH]n4)c(Cl)c3)CC[C@H]21 ZINC000821625170 606979140 /nfs/dbraw/zinc/97/91/40/606979140.db2.gz GWSSXTGNAIYOGA-IAQYHMDHSA-N 1 0 391.932 2.633 20 0 GFADRO C[C@@H](CC(=O)NCCc1ccccc1)[NH2+][C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000820226332 607014730 /nfs/dbraw/zinc/01/47/30/607014730.db2.gz UXNSYGFNGFPREN-HOTGVXAUSA-N 1 0 378.480 2.655 20 0 GFADRO C[C@@H]([NH2+]C1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1)c1cc(F)cc(F)c1 ZINC000820410478 607045722 /nfs/dbraw/zinc/04/57/22/607045722.db2.gz FIZRSVVUGCNBFD-GFCCVEGCSA-N 1 0 385.422 2.860 20 0 GFADRO CCc1nc(C)c([C@@H](C)[NH2+]C2CCN(c3ccc(-c4nn[nH]n4)cn3)CC2)s1 ZINC000821504965 607046945 /nfs/dbraw/zinc/04/69/45/607046945.db2.gz MMBCJOBXHOVLEG-GFCCVEGCSA-N 1 0 398.540 2.909 20 0 GFADRO COc1cccc2c1CC[C@H]2[NH2+]C1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1 ZINC000821877642 607047201 /nfs/dbraw/zinc/04/72/01/607047201.db2.gz OMUIVMQORZRGFK-GOSISDBHSA-N 1 0 391.479 2.516 20 0 GFADRO CC(C)(C)OC(=O)NC[C@@](C)([NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)C1CC1 ZINC000819939489 607102663 /nfs/dbraw/zinc/10/26/63/607102663.db2.gz DGCSDQHFJBYHLH-LJQANCHMSA-N 1 0 390.463 2.789 20 0 GFADRO Cc1cccc([C@@H]2CCC[N@@H+]2CCC(=O)Nc2cccc(-c3nn[nH]n3)c2)n1 ZINC000822299179 607105229 /nfs/dbraw/zinc/10/52/29/607105229.db2.gz AORUCOUQVXDDSE-SFHVURJKSA-N 1 0 377.452 2.736 20 0 GFADRO C[NH+](C)CCN(Cc1ccc(F)cc1)c1ccc(Cl)c(-c2nn[nH]n2)n1 ZINC000821586336 607114606 /nfs/dbraw/zinc/11/46/06/607114606.db2.gz TXSSWDLSHGAOTM-UHFFFAOYSA-N 1 0 375.839 2.622 20 0 GFADRO Cc1ccc(C[NH+]2CCCC2)cc1NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000822237212 607173128 /nfs/dbraw/zinc/17/31/28/607173128.db2.gz KAUHJDOXHFBLEC-UHFFFAOYSA-N 1 0 398.492 2.572 20 0 GFADRO C[C@@H](C(=O)Nc1ccccc1-c1nn[nH]n1)[N@@H+]1CCC[C@@H](Nc2ccccc2)C1 ZINC000819875666 607177411 /nfs/dbraw/zinc/17/74/11/607177411.db2.gz BFQHDLGJIAUNQD-DOTOQJQBSA-N 1 0 391.479 2.770 20 0 GFADRO O=C(Nc1ccc(-c2nn[nH]n2)cc1Cl)NC1CC[NH+](CC2CC2)CC1 ZINC000823318850 607203032 /nfs/dbraw/zinc/20/30/32/607203032.db2.gz LSEZKWJQDUARML-UHFFFAOYSA-N 1 0 375.864 2.516 20 0 GFADRO OC[C@@H](C[NH2+]Cc1cc(-c2nn[nH]n2)cs1)Cc1ccccc1C(F)(F)F ZINC000823706874 607230034 /nfs/dbraw/zinc/23/00/34/607230034.db2.gz QLOOZZLWUUKZPJ-LLVKDONJSA-N 1 0 397.426 2.888 20 0 GFADRO C[N@H+](Cc1ccccc1)CC(C)(C)NC(=O)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000825981568 607817641 /nfs/dbraw/zinc/81/76/41/607817641.db2.gz UXCIJNPDFKFHKL-UHFFFAOYSA-N 1 0 379.468 2.899 20 0 GFADRO CC[N@H+](CCc1nccs1)Cc1ccc(-c2nn[nH]n2)cc1OC(F)F ZINC000825428277 607830564 /nfs/dbraw/zinc/83/05/64/607830564.db2.gz HRHDAOFHDJBAOL-UHFFFAOYSA-N 1 0 380.424 2.989 20 0 GFADRO CC(C)C[NH+]1CCN(C(=O)c2c(Cl)cc(-c3nn[nH]n3)cc2Cl)CC1 ZINC000824261183 607833158 /nfs/dbraw/zinc/83/31/58/607833158.db2.gz DHBZFWKDYRMKOS-UHFFFAOYSA-N 1 0 383.283 2.587 20 0 GFADRO Clc1cc(N2CC[C@H](OCC[NH+]3CCCCC3)C2)ccc1-c1nn[nH]n1 ZINC000826350584 607849726 /nfs/dbraw/zinc/84/97/26/607849726.db2.gz CREZIAMVROIHAG-HNNXBMFYSA-N 1 0 376.892 2.601 20 0 GFADRO OC[C@@H](CC1CC1)[NH2+]Cc1cccc(OCc2cccc(-c3nn[nH]n3)c2)c1 ZINC000826507437 607853886 /nfs/dbraw/zinc/85/38/86/607853886.db2.gz OJYNTJHSKQABPS-LJQANCHMSA-N 1 0 379.464 2.696 20 0 GFADRO CC(C)Oc1cccc(C[N@H+](C)C[C@@H](O)COc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000824333753 607926023 /nfs/dbraw/zinc/92/60/23/607926023.db2.gz LODCKKDHBDNXSG-GOSISDBHSA-N 1 0 397.479 2.526 20 0 GFADRO CC[C@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000825210016 607942281 /nfs/dbraw/zinc/94/22/81/607942281.db2.gz DSIGVRSJJFTHDN-RDJZCZTQSA-N 1 0 386.500 2.992 20 0 GFADRO C[C@@H]([NH2+]C[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824577128 607983501 /nfs/dbraw/zinc/98/35/01/607983501.db2.gz GXPBINBOBVKQBJ-WBVHZDCISA-N 1 0 376.464 2.566 20 0 GFADRO COCCC[NH+]1CCC(Nc2ccc(-c3nn[nH]n3)cc2Br)CC1 ZINC000826156352 607990501 /nfs/dbraw/zinc/99/05/01/607990501.db2.gz ZNSLXFJXDRLZIU-UHFFFAOYSA-N 1 0 395.305 2.542 20 0 GFADRO FC(F)(F)c1cc(NC2CC[NH+]([C@@H]3CCOC3)CC2)ccc1-c1nn[nH]n1 ZINC000826368198 608016233 /nfs/dbraw/zinc/01/62/33/608016233.db2.gz GLIHCYINELQNDG-CYBMUJFWSA-N 1 0 382.390 2.551 20 0 GFADRO CC(C)(C)[N@@H+]1CCCN(c2ccc(-c3nn[nH]n3)cc2Br)CC1 ZINC000824094012 608048288 /nfs/dbraw/zinc/04/82/88/608048288.db2.gz OSCCSJJEWLCSQB-UHFFFAOYSA-N 1 0 379.306 2.940 20 0 GFADRO c1ccc(C[N@@H+]2CCC3(C2)CCN(c2ccc(-c4nn[nH]n4)cn2)CC3)cc1 ZINC000826521194 608099104 /nfs/dbraw/zinc/09/91/04/608099104.db2.gz DEXFXRNJYBDKJT-UHFFFAOYSA-N 1 0 375.480 2.754 20 0 GFADRO COc1ccc(C[C@H](C)C[NH2+]Cc2ccc(OC)c(-c3nn[nH]n3)c2)cc1OC ZINC000826191698 608101853 /nfs/dbraw/zinc/10/18/53/608101853.db2.gz NFONWPZYTZHSKX-AWEZNQCLSA-N 1 0 397.479 2.861 20 0 GFADRO Fc1cccc(O[C@H]2CC[N@H+](Cc3cn4ccccc4c3-c3nn[nH]n3)C2)c1 ZINC000826377157 608128836 /nfs/dbraw/zinc/12/88/36/608128836.db2.gz HEUCYPSGBFSSQL-KRWDZBQOSA-N 1 0 378.411 2.912 20 0 GFADRO C[C@H](C[N@H+](C)[C@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O)c1nccs1 ZINC000824413465 608132771 /nfs/dbraw/zinc/13/27/71/608132771.db2.gz LTQPUHPUJQOTSZ-CJNGLKHVSA-N 1 0 397.508 2.554 20 0 GFADRO Cc1ccc2ncnc(N(CC[NH+](C)C)Cc3ccc(-c4nn[nH]n4)cc3)c2c1 ZINC000826295712 608191216 /nfs/dbraw/zinc/19/12/16/608191216.db2.gz UTYBJYNGVNHIKY-UHFFFAOYSA-N 1 0 388.479 2.687 20 0 GFADRO C[C@H](CCO)[N@H+](CCCOc1ccc(-c2nn[nH]n2)cc1)Cc1ccccc1 ZINC000824406642 608267538 /nfs/dbraw/zinc/26/75/38/608267538.db2.gz OUAVFMKKCFMGJC-QGZVFWFLSA-N 1 0 381.480 2.909 20 0 GFADRO CCc1ccccc1NC(=O)C[C@@H](C)[NH2+]Cc1ccc(OC)c(-c2nn[nH]n2)c1 ZINC000825722716 608286211 /nfs/dbraw/zinc/28/62/11/608286211.db2.gz KLROKZTXSZLMPU-CQSZACIVSA-N 1 0 394.479 2.945 20 0 GFADRO COc1ccc(C[NH2+][C@H](C)CC(=O)Nc2ccc(F)cc2)cc1-c1nn[nH]n1 ZINC000826202367 608287080 /nfs/dbraw/zinc/28/70/80/608287080.db2.gz YJCDPALZMSJWIS-GFCCVEGCSA-N 1 0 384.415 2.521 20 0 GFADRO COc1ccc(C[NH2+][C@H](C)c2cnn(-c3ccccc3)c2)cc1-c1nn[nH]n1 ZINC000826202247 608287174 /nfs/dbraw/zinc/28/71/74/608287174.db2.gz SUZPVNVICXSEAJ-CQSZACIVSA-N 1 0 375.436 2.912 20 0 GFADRO CCC[N@H+](C)C[C@@H]1CCN(Cc2c(-c3nn[nH]n3)c(C)nn2-c2ccccc2)C1 ZINC000825302091 608313779 /nfs/dbraw/zinc/31/37/79/608313779.db2.gz WGWCQGCIARHYPT-KRWDZBQOSA-N 1 0 394.527 2.525 20 0 GFADRO COc1ccc(C)cc1[C@@H](C)[NH2+]CCOc1ccc(-c2nn[nH]n2)cc1OC ZINC000826176090 608429426 /nfs/dbraw/zinc/42/94/26/608429426.db2.gz AFYHNLSHXSVUQC-CQSZACIVSA-N 1 0 383.452 2.922 20 0 GFADRO c1cc2c(cc1C[N@H+]1CC=C(c3ccc(-c4nn[nH]n4)cc3)CC1)OCCO2 ZINC000823868240 608463522 /nfs/dbraw/zinc/46/35/22/608463522.db2.gz RVCUUVGZOMOEJQ-UHFFFAOYSA-N 1 0 375.432 2.927 20 0 GFADRO C[C@@H]([NH2+]CC(=O)NC12CC3CC(CC(C3)C1)C2)c1ccc(-c2nn[nH]n2)cc1 ZINC000824553845 608463735 /nfs/dbraw/zinc/46/37/35/608463735.db2.gz IVFGOFYKYLKPQQ-BUBBNXEVSA-N 1 0 380.496 2.602 20 0 GFADRO C[C@H]([NH2+]CC(=O)NCCc1ccc(Cl)cc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824562011 608466647 /nfs/dbraw/zinc/46/66/47/608466647.db2.gz ASNLWBMOUVTRPE-ZDUSSCGKSA-N 1 0 384.871 2.530 20 0 GFADRO C[C@@H]([NH2+]CC(=O)NC1(c2ccccc2)CCC1)c1cccc(-c2nn[nH]n2)c1 ZINC000824553470 608481970 /nfs/dbraw/zinc/48/19/70/608481970.db2.gz BRZSAGUEQISADQ-OAHLLOKOSA-N 1 0 376.464 2.713 20 0 GFADRO CC(C)c1ccc(CCNC(=O)C[NH2+][C@@H](C)c2cccc(-c3nn[nH]n3)c2)cc1 ZINC000824347581 608486558 /nfs/dbraw/zinc/48/65/58/608486558.db2.gz FIIRHALZXVVAIY-INIZCTEOSA-N 1 0 392.507 3.000 20 0 GFADRO COc1ccc(Cl)cc1NC(=O)C[NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1 ZINC000826208614 608486602 /nfs/dbraw/zinc/48/66/02/608486602.db2.gz RZYFZASZOGHKOE-NSHDSACASA-N 1 0 386.843 2.818 20 0 GFADRO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1ccc(OC(C)C)c(-c2nn[nH]n2)c1 ZINC000825219144 608494855 /nfs/dbraw/zinc/49/48/55/608494855.db2.gz HTWUANXRWMCVCT-CVEARBPZSA-N 1 0 399.499 2.744 20 0 GFADRO CN(C)C(=O)c1cccc(C[NH2+][C@H]2CCCc3cc(-c4nn[nH]n4)ccc32)c1 ZINC000825848508 608498416 /nfs/dbraw/zinc/49/84/16/608498416.db2.gz FFDBMXBRNXMDQR-IBGZPJMESA-N 1 0 376.464 2.736 20 0 GFADRO OC[C@@H](C[NH2+][C@H]1CCCc2cc(-c3nn[nH]n3)ccc21)Cc1ccc(F)cc1 ZINC000826507517 608504697 /nfs/dbraw/zinc/50/46/97/608504697.db2.gz QBKVUPCOEHUOBX-QRWLVFNGSA-N 1 0 381.455 2.824 20 0 GFADRO C[N@H+](CCOc1ccccc1Cl)Cc1cnc2ccc(-c3nn[nH]n3)cn12 ZINC000825946296 608506169 /nfs/dbraw/zinc/50/61/69/608506169.db2.gz RLXKGLMGIYEXMF-UHFFFAOYSA-N 1 0 383.843 2.679 20 0 GFADRO CC[C@](C)([NH2+]CCS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)c1ccccc1 ZINC000825043441 608510775 /nfs/dbraw/zinc/51/07/75/608510775.db2.gz IBSFKCDMACZQKJ-IBGZPJMESA-N 1 0 385.493 2.555 20 0 GFADRO C[C@H](CNC(=O)OC(C)(C)C)C[NH2+][C@H]1CCCc2cc(-c3nn[nH]n3)ccc21 ZINC000824421396 608524603 /nfs/dbraw/zinc/52/46/03/608524603.db2.gz SUYGFWLCHSKRRO-GUYCJALGSA-N 1 0 386.500 2.995 20 0 GFADRO Cn1cc(C[NH2+][C@H]2CCCc3cc(-c4nn[nH]n4)ccc32)c(C(F)(F)F)n1 ZINC000826361201 608525195 /nfs/dbraw/zinc/52/51/95/608525195.db2.gz OVPUOLLFBUHPDA-AWEZNQCLSA-N 1 0 377.374 2.786 20 0 GFADRO COc1cccc(-c2n[nH]cc2C[N@H+](C)Cc2cccc(-c3nn[nH]n3)c2)c1 ZINC000826213965 608525404 /nfs/dbraw/zinc/52/54/04/608525404.db2.gz ULRSTUFVISTSFC-UHFFFAOYSA-N 1 0 375.436 2.897 20 0 GFADRO C[C@H](c1ccc(F)cc1)N(C)C(=O)C[NH2+]C1(c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000824763764 608528917 /nfs/dbraw/zinc/52/89/17/608528917.db2.gz PADMXLJTWGRNMS-CQSZACIVSA-N 1 0 394.454 2.804 20 0 GFADRO Cc1ccccc1C(=O)NC1CC[NH+](Cc2cc(-c3nn[nH]n3)cs2)CC1 ZINC000826305752 608530715 /nfs/dbraw/zinc/53/07/15/608530715.db2.gz HPBBIPCFEKTWPG-UHFFFAOYSA-N 1 0 382.493 2.631 20 0 GFADRO COc1cccc(F)c1[C@H](C)[NH2+]CCOc1ccc(-c2nn[nH]n2)cc1OC ZINC000826176149 608538403 /nfs/dbraw/zinc/53/84/03/608538403.db2.gz DEVYCBXKEPKYQH-LBPRGKRZSA-N 1 0 387.415 2.753 20 0 GFADRO CCC[N@H+](Cc1cnc2nc(C)cc(C)n12)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000825322361 608547734 /nfs/dbraw/zinc/54/77/34/608547734.db2.gz BBWLTQNXZBQYAE-UHFFFAOYSA-N 1 0 376.468 2.938 20 0 GFADRO O=C(C[NH2+][C@H](C[C@H]1CCOC1)c1ccccc1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000826412547 608552456 /nfs/dbraw/zinc/55/24/56/608552456.db2.gz SBWHVFKMWHOOSV-DNVCBOLYSA-N 1 0 392.463 2.563 20 0 GFADRO C[C@@H]([NH2+]C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1)c1cccc(N2CCCC2)c1 ZINC000824569638 608554530 /nfs/dbraw/zinc/55/45/30/608554530.db2.gz JJVRLUBKNWARAR-FOIQADDNSA-N 1 0 378.480 2.851 20 0 GFADRO COC(=O)C(C)(C)[C@H]([NH2+]CCOc1cccc(-c2nn[nH]n2)c1)c1ccccc1 ZINC000826099140 608555203 /nfs/dbraw/zinc/55/52/03/608555203.db2.gz ZIWPSYPKBJZAQO-GOSISDBHSA-N 1 0 395.463 2.776 20 0 GFADRO C[C@@H](C(=O)N1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000824906738 608559902 /nfs/dbraw/zinc/55/99/02/608559902.db2.gz DLNOMMJSLVWIAB-XHSDSOJGSA-N 1 0 380.496 2.744 20 0 GFADRO CCC[C@@H](C[NH+]1CCN(c2ncccc2-c2nn[nH]n2)CC1)c1ccccc1 ZINC000825242701 608580792 /nfs/dbraw/zinc/58/07/92/608580792.db2.gz YXLXONNLDOOZMQ-SFHVURJKSA-N 1 0 377.496 2.968 20 0 GFADRO COc1ccccc1NC(=O)C1CC[NH+](Cc2cc(-c3nn[nH]n3)cs2)CC1 ZINC000826220679 608595102 /nfs/dbraw/zinc/59/51/02/608595102.db2.gz WEPAYTVUPMLXJG-UHFFFAOYSA-N 1 0 398.492 2.788 20 0 GFADRO Cc1cccc2ncc(C[NH+]3CCC(Oc4cccc(-c5nn[nH]n5)c4)CC3)n21 ZINC000826305272 608603093 /nfs/dbraw/zinc/60/30/93/608603093.db2.gz QLUDUAZRBSYZGB-UHFFFAOYSA-N 1 0 389.463 2.866 20 0 GFADRO O=C(NC1CCCCC1)NC1CC[NH+](Cc2ccc(-c3nn[nH]n3)s2)CC1 ZINC000826429593 608630659 /nfs/dbraw/zinc/63/06/59/608630659.db2.gz IFLICZVYTUALFY-UHFFFAOYSA-N 1 0 389.529 2.525 20 0 GFADRO OCC[N@@H+](Cc1cccc(OCc2cccc(-c3nn[nH]n3)c2)c1)CC1CC1 ZINC000826509950 608637454 /nfs/dbraw/zinc/63/74/54/608637454.db2.gz ROHRZTNTBNVZSG-UHFFFAOYSA-N 1 0 379.464 2.650 20 0 GFADRO Fc1ccc(OC2CC[NH+](Cc3cnc4ccc(-c5nn[nH]n5)cn34)CC2)cc1 ZINC000826375195 608655676 /nfs/dbraw/zinc/65/56/76/608655676.db2.gz CRJKDVUPZDGFDU-UHFFFAOYSA-N 1 0 393.426 2.697 20 0 GFADRO CCc1ncc(C[NH+]2CCC(C(=O)Nc3cccc(-c4nn[nH]n4)c3)CC2)s1 ZINC000825750869 608660094 /nfs/dbraw/zinc/66/00/94/608660094.db2.gz ZNHHAIZBWJWGRZ-UHFFFAOYSA-N 1 0 397.508 2.736 20 0 GFADRO O[C@@H](c1ccccc1)[C@@H]1CCCC[N@@H+]1Cc1cnc2ccc(-c3nn[nH]n3)cn12 ZINC000826505373 608661204 /nfs/dbraw/zinc/66/12/04/608661204.db2.gz UFTDLFWGSHTVIW-ICSRJNTNSA-N 1 0 389.463 2.603 20 0 GFADRO Cc1nc([C@@H]2CCC[N@H+](Cc3cnc4ccc(-c5nn[nH]n5)cn34)C2)sc1C ZINC000826324896 608664806 /nfs/dbraw/zinc/66/48/06/608664806.db2.gz IBBUIBNGGIKVDB-OAHLLOKOSA-N 1 0 394.508 2.967 20 0 GFADRO CCC[C@@H](C(=O)Nc1ccc(Oc2ccc(-c3nn[nH]n3)cc2)nc1)[NH+](C)C ZINC000825224991 608759286 /nfs/dbraw/zinc/75/92/86/608759286.db2.gz JAFMRSJCWCTYKE-INIZCTEOSA-N 1 0 381.440 2.723 20 0 GFADRO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1ccc(-c2nn[nH]n2)c(C(F)(F)F)c1 ZINC000825000139 608812877 /nfs/dbraw/zinc/81/28/77/608812877.db2.gz MXBHFXWKMWTIJO-PWSUYJOCSA-N 1 0 395.389 2.586 20 0 GFADRO C[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)C[N@@H+]1Cc1cc(-c2nn[nH]n2)cs1 ZINC000824883871 608845928 /nfs/dbraw/zinc/84/59/28/608845928.db2.gz JQVCQSITAWJVFY-RYUDHWBXSA-N 1 0 378.502 2.663 20 0 GFADRO O[C@@H]1C[C@@H](c2ccc(C(F)(F)F)cc2)[N@H+](Cc2ccc(-c3nn[nH]n3)o2)C1 ZINC000826506117 608851636 /nfs/dbraw/zinc/85/16/36/608851636.db2.gz NBTOYSMJBHAVGP-OCCSQVGLSA-N 1 0 379.342 2.786 20 0 GFADRO C[C@@H]([NH2+][C@@H](C)c1ccc(-c2nn[nH]n2)c(F)c1)c1ccc2c(c1)CC(=O)N2C ZINC000824530933 609139099 /nfs/dbraw/zinc/13/90/99/609139099.db2.gz NHNAXFHEYCJOTF-NEPJUHHUSA-N 1 0 380.427 2.937 20 0 GFADRO C[C@H]1C[C@H](C(=O)N2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)C[C@@H](C)C1 ZINC000824877436 609140423 /nfs/dbraw/zinc/14/04/23/609140423.db2.gz YDYFRHBYESQMEW-YRWFTTLQSA-N 1 0 396.539 2.973 20 0 GFADRO COC1CCN(C(C)(C)C[NH2+][C@H](C)c2ccc(-c3nn[nH]n3)c(F)c2)CC1 ZINC000826147454 609141785 /nfs/dbraw/zinc/14/17/85/609141785.db2.gz YCDOMWWENLGPKZ-CYBMUJFWSA-N 1 0 376.480 2.546 20 0 GFADRO C[C@@H]1CC[C@H](C(F)(F)F)C[N@@H+]1CCC(=O)Nc1ccccc1-c1nn[nH]n1 ZINC000824906149 609148724 /nfs/dbraw/zinc/14/87/24/609148724.db2.gz AJZQUOQCLJKMMP-NEPJUHHUSA-N 1 0 382.390 2.858 20 0 GFADRO COc1ccccc1N1CC[C@@H]([NH2+][C@@H](C)c2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC000826220632 609150339 /nfs/dbraw/zinc/15/03/39/609150339.db2.gz UMVYDEIMHLGYQD-DZGCQCFKSA-N 1 0 382.443 2.944 20 0 GFADRO C[C@H](Nc1ccc(CC[NH+]2CCOCC2)cc1)c1cccc(-c2nn[nH]n2)c1 ZINC000824656132 609179880 /nfs/dbraw/zinc/17/98/80/609179880.db2.gz IAJOUYVNXVCZIV-INIZCTEOSA-N 1 0 378.480 2.915 20 0 GFADRO C[C@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)cn1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824655889 609251612 /nfs/dbraw/zinc/25/16/12/609251612.db2.gz GRDRTCIGWJWUPJ-KSSFIOAISA-N 1 0 378.484 2.575 20 0 GFADRO COc1cccc([C@@H]2[C@H](Nc3ccc(-c4nn[nH]n4)cn3)CC[N@@H+]2C2CC2)c1 ZINC000826215742 609322778 /nfs/dbraw/zinc/32/27/78/609322778.db2.gz XUDUMMKWNATZAH-IEBWSBKVSA-N 1 0 377.452 2.660 20 0 GFADRO C[C@@H]([NH2+]C1CCN(C(=O)c2ccco2)CC1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824544992 609324309 /nfs/dbraw/zinc/32/43/09/609324309.db2.gz AVUOEAXSQVNNGJ-GFCCVEGCSA-N 1 0 384.415 2.554 20 0 GFADRO C[C@H]([NH2+]C1CCN(C(=O)c2ccccc2)CC1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824545417 609329997 /nfs/dbraw/zinc/32/99/97/609329997.db2.gz CLGBMWURDOVDHT-AWEZNQCLSA-N 1 0 394.454 2.961 20 0 GFADRO COc1cc(NCC[NH2+][C@@H](C)c2ccc(-c3nn[nH]n3)cc2F)cc(OC)c1 ZINC000826180281 609344394 /nfs/dbraw/zinc/34/43/94/609344394.db2.gz AEAVOMYIQRSUDK-LBPRGKRZSA-N 1 0 386.431 2.786 20 0 GFADRO C[C@@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)cn1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824658420 609347383 /nfs/dbraw/zinc/34/73/83/609347383.db2.gz XAOZOFDFMLMDDV-CJNGLKHVSA-N 1 0 396.474 2.714 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccccc1Oc1ccccc1-c1nn[nH]n1 ZINC000825458340 609367113 /nfs/dbraw/zinc/36/71/13/609367113.db2.gz CHZIOHRUKSWRND-HNNXBMFYSA-N 1 0 392.463 2.873 20 0 GFADRO O=C1[C@H]([NH2+]Cc2cccc(Cl)c2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476666 609411307 /nfs/dbraw/zinc/41/13/07/609411307.db2.gz MHMCXWZQOBIUKP-QGZVFWFLSA-N 1 0 382.855 2.805 20 0 GFADRO C[C@@H]([NH2+][C@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O)c1cccc(F)c1 ZINC000824548422 609412829 /nfs/dbraw/zinc/41/28/29/609412829.db2.gz XGBMDHCECQKHHK-ACJLOTCBSA-N 1 0 380.427 2.852 20 0 GFADRO C[C@H]([NH2+][C@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O)c1ccc(F)cc1 ZINC000824548349 609412889 /nfs/dbraw/zinc/41/28/89/609412889.db2.gz WIYDICATABYDCZ-UGSOOPFHSA-N 1 0 380.427 2.852 20 0 GFADRO C[C@H]([NH2+][C@H]1CCCN(C)C1=O)c1ccc(-c2cccc(-c3nn[nH]n3)c2)cc1 ZINC000824548061 609450363 /nfs/dbraw/zinc/45/03/63/609450363.db2.gz UWUARDBUWADHOM-LIRRHRJNSA-N 1 0 376.464 2.805 20 0 GFADRO Cc1cc(-c2nn[nH]n2)ccc1C(=O)N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000826246109 609457144 /nfs/dbraw/zinc/45/71/44/609457144.db2.gz RQMFJSHFXIGLKA-QFBILLFUSA-N 1 0 390.491 2.816 20 0 GFADRO Cc1cccc(C[NH2+][C@@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)c1C ZINC000826298137 609600053 /nfs/dbraw/zinc/60/00/53/609600053.db2.gz FRUKJARIXVLXEZ-LJQANCHMSA-N 1 0 376.464 2.769 20 0 GFADRO CCCC[C@H]([NH2+]CCn1cc(Br)cn1)C(=O)Nc1cc(C)on1 ZINC000507249042 650457538 /nfs/dbraw/zinc/45/75/38/650457538.db2.gz YZLFYEOVBQAWNE-ZDUSSCGKSA-N 1 0 384.278 2.729 20 0 GFADRO C[NH2+]CCN(C)S(=O)(=O)c1c(Cl)cc(Br)cc1Cl ZINC000070304001 654992558 /nfs/dbraw/zinc/99/25/58/654992558.db2.gz QSYKZEDKOYRKHR-UHFFFAOYSA-N 1 0 376.103 2.596 20 0 GFADRO CC[NH+]1CCN(CC(=O)Nc2ccn(-c3ccc(Cl)cc3Cl)n2)CC1 ZINC000537924419 650825851 /nfs/dbraw/zinc/82/58/51/650825851.db2.gz OIVWCRQEPHGAJP-UHFFFAOYSA-N 1 0 382.295 2.755 20 0 GFADRO CN(C[C@H]1CCC[N@@H+]1C)Cn1nnn(-c2ccc(Br)cc2)c1=S ZINC000817375725 660192505 /nfs/dbraw/zinc/19/25/05/660192505.db2.gz ZIQQIXNDLZUTFY-CQSZACIVSA-N 1 0 397.346 2.544 20 0 GFADRO [NH3+][C@@H]1CCO[C@@H](C2CCN(C(=O)[C@@H](O)c3cc(Cl)cc(Cl)c3)CC2)C1 ZINC000818014101 660213684 /nfs/dbraw/zinc/21/36/84/660213684.db2.gz AKHMDEVTBSLWOO-ZACQAIPSSA-N 1 0 387.307 2.772 20 0 GFADRO [NH3+][C@@H]1CCO[C@@H](C2CCN(C(=O)[C@H](O)c3cc(Cl)cc(Cl)c3)CC2)C1 ZINC000818014098 660213685 /nfs/dbraw/zinc/21/36/85/660213685.db2.gz AKHMDEVTBSLWOO-BRWVUGGUSA-N 1 0 387.307 2.772 20 0 GFADRO [NH3+][C@@H]1CCO[C@H](C2CCN(C(=O)/C=C/c3ccc(Br)o3)CC2)C1 ZINC000818014792 660213697 /nfs/dbraw/zinc/21/36/97/660213697.db2.gz NRZHDBYBPSNFNC-MWDOINLKSA-N 1 0 383.286 2.800 20 0 GFADRO CCS(=O)(=O)c1ccc(Cl)c(C(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)c1 ZINC000818177690 660218687 /nfs/dbraw/zinc/21/86/87/660218687.db2.gz NCWKIDNOHCRVJX-GOSISDBHSA-N 1 0 384.929 2.692 20 0 GFADRO CCS(=O)(=O)c1ccc(Cl)c(C(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)c1 ZINC000818177692 660218712 /nfs/dbraw/zinc/21/87/12/660218712.db2.gz NCWKIDNOHCRVJX-SFHVURJKSA-N 1 0 384.929 2.692 20 0 GFADRO [NH3+]CCc1ccc(CNC(=O)c2cc(Br)c3c(c2)OCCO3)cc1 ZINC000818534305 660228185 /nfs/dbraw/zinc/22/81/85/660228185.db2.gz LOUZUWIXHOVCDJ-UHFFFAOYSA-N 1 0 391.265 2.652 20 0 GFADRO [NH3+]CCc1ccc(CNC(=O)[C@@H]2COc3ccc(Br)cc32)cc1 ZINC000818535575 660228297 /nfs/dbraw/zinc/22/82/97/660228297.db2.gz JDEDCWJBXMHPTF-MRXNPFEDSA-N 1 0 375.266 2.743 20 0 GFADRO CCOC(=O)C(F)(F)[C@@H]1CC[C@@H]([NH2+][C@@H](C)c2ncc(C(=O)OC)s2)C1 ZINC000818357719 660224340 /nfs/dbraw/zinc/22/43/40/660224340.db2.gz JNXDAOUJWIYUHH-HBNTYKKESA-N 1 0 376.425 2.947 20 0 GFADRO Cn1ccnc1[C@](O)(CC[NH2+]C[C@H](O)c1ccccc1Cl)C(F)(F)F ZINC000818969816 660239281 /nfs/dbraw/zinc/23/92/81/660239281.db2.gz IVSBMYXQZXKLDF-DZGCQCFKSA-N 1 0 377.794 2.537 20 0 GFADRO COc1ccc(C(=O)NCC[NH2+]C[C@H](O)c2cccc(Br)c2)cc1 ZINC000818967374 660239056 /nfs/dbraw/zinc/23/90/56/660239056.db2.gz UMURKUDWCAWEMS-KRWDZBQOSA-N 1 0 393.281 2.511 20 0 GFADRO O=C(c1ccco1)N1CCC([NH2+]C[C@@H](O)c2ccc(Br)cc2)CC1 ZINC000818945913 660236270 /nfs/dbraw/zinc/23/62/70/660236270.db2.gz UDPUWLKSXWCKDV-MRXNPFEDSA-N 1 0 393.281 2.970 20 0 GFADRO CC(C)(C)OC(=O)CS(=O)(=O)CC[NH2+]Cc1ccccc1C(F)(F)F ZINC000818952005 660237385 /nfs/dbraw/zinc/23/73/85/660237385.db2.gz UYZOFHDOZUIGBR-UHFFFAOYSA-N 1 0 381.416 2.552 20 0 GFADRO O[C@@H](C[NH2+]C[C@@H]1CCN(CC(F)(F)F)C1)c1cccc(Br)c1 ZINC000818972285 660239506 /nfs/dbraw/zinc/23/95/06/660239506.db2.gz INCFHWZNOQSDLL-FZMZJTMJSA-N 1 0 381.236 2.956 20 0 GFADRO CN(C)C(=O)CCC[NH2+]C[C@@](C)(O)c1ccc(Br)cc1Cl ZINC000818975467 660240282 /nfs/dbraw/zinc/24/02/82/660240282.db2.gz XSLCHDQNQYAQBQ-OAHLLOKOSA-N 1 0 377.710 2.768 20 0 GFADRO O=S(=O)(CCC[NH2+]C[C@@H](O)c1ccc(Br)cc1)c1ccccc1 ZINC000818980837 660240870 /nfs/dbraw/zinc/24/08/70/660240870.db2.gz JOEUPMCBXQQMLF-QGZVFWFLSA-N 1 0 398.322 2.936 20 0 GFADRO O=C(C[NH2+]C[C@@H](O)c1cccc(Br)c1)N1CCc2ccccc21 ZINC000818999367 660242700 /nfs/dbraw/zinc/24/27/00/660242700.db2.gz QJPNNKJSHPMGSJ-QGZVFWFLSA-N 1 0 375.266 2.661 20 0 GFADRO COC(=O)N1CCC[C@@H]([NH2+]C[C@](C)(O)c2ccc(Br)cc2F)C1 ZINC000819001887 660242871 /nfs/dbraw/zinc/24/28/71/660242871.db2.gz GAVWBIQEGXCTES-WBMJQRKESA-N 1 0 389.265 2.616 20 0 GFADRO COC(=O)N1CCC[C@H]([NH2+]CCC(=O)Nc2cccc(Br)c2)C1 ZINC000819004085 660243166 /nfs/dbraw/zinc/24/31/66/660243166.db2.gz VEITULIMCLHTMW-AWEZNQCLSA-N 1 0 384.274 2.598 20 0 GFADRO CN(C[C@H](O)C[NH2+]Cc1ccc(Br)cc1F)C(=O)OC(C)(C)C ZINC000819052264 660244494 /nfs/dbraw/zinc/24/44/94/660244494.db2.gz AYJRTHZDQYTDGE-CYBMUJFWSA-N 1 0 391.281 2.906 20 0 GFADRO CC(C)(C)[S@](=O)CC[NH2+]CCC(=O)Nc1cccc(Br)c1 ZINC000819055162 660244814 /nfs/dbraw/zinc/24/48/14/660244814.db2.gz CWUQRNRDEIQRJT-OAQYLSRUSA-N 1 0 375.332 2.915 20 0 GFADRO CN1C[C@H]([NH2+]C[C@@](C)(O)c2ccc(Br)cc2Cl)CCC1=O ZINC000819089308 660246230 /nfs/dbraw/zinc/24/62/30/660246230.db2.gz MLFDSNPSOBZJSM-IAQYHMDHSA-N 1 0 375.694 2.520 20 0 GFADRO C[C@H](C[NH2+]C[C@H](O)c1ccc(S(C)(=O)=O)cc1)Oc1ccccc1Cl ZINC000819115108 660246936 /nfs/dbraw/zinc/24/69/36/660246936.db2.gz CQZOKLOSHWZIPC-DYVFJYSZSA-N 1 0 383.897 2.834 20 0 GFADRO C[C@@](O)(C[NH2+][C@H]1CC(=O)N(C2CC2)C1)c1ccc(Br)cc1Cl ZINC000819129586 660247387 /nfs/dbraw/zinc/24/73/87/660247387.db2.gz ADBJGJCSXZROGL-MEDUHNTESA-N 1 0 387.705 2.663 20 0 GFADRO CN1CCC[C@H]([NH2+]C[C@@](C)(O)c2ccc(Br)cc2Cl)C1=O ZINC000819133801 660247618 /nfs/dbraw/zinc/24/76/18/660247618.db2.gz RPLIMGBLPNGFJB-DZGCQCFKSA-N 1 0 375.694 2.520 20 0 GFADRO CC1(C)OC[C@H](C[NH2+]C[C@H](O)COc2ccc(Cl)cc2Br)O1 ZINC000819153770 660248174 /nfs/dbraw/zinc/24/81/74/660248174.db2.gz DJRYOFBABSNUSM-RYUDHWBXSA-N 1 0 394.693 2.583 20 0 GFADRO CCC(=O)N1CC[C@H]([NH2+]C[C@@](C)(O)c2ccc(Br)cc2Cl)C1 ZINC000819162106 660248369 /nfs/dbraw/zinc/24/83/69/660248369.db2.gz OWTIAKNMDDGWJW-BLLLJJGKSA-N 1 0 389.721 2.911 20 0 GFADRO O=C1NCCc2ccc(C[NH2+]C[C@H](O)c3ccccc3Br)cc21 ZINC000819230438 660251211 /nfs/dbraw/zinc/25/12/11/660251211.db2.gz YLWUQNHHOFEWOZ-KRWDZBQOSA-N 1 0 375.266 2.558 20 0 GFADRO O=C1[C@@H]([NH2+]C[C@H](O)c2ccccc2Br)CCCN1c1cccnc1 ZINC000819224515 660250792 /nfs/dbraw/zinc/25/07/92/660250792.db2.gz HGPXSWUISLKZKE-IRXDYDNUSA-N 1 0 390.281 2.663 20 0 GFADRO Cc1ccc(C[NH2+]C[C@](C)(O)c2ccc(Br)cc2F)c(=O)n1C ZINC000819269758 660252961 /nfs/dbraw/zinc/25/29/61/660252961.db2.gz OFMWEWFALPEBII-KRWDZBQOSA-N 1 0 383.261 2.593 20 0 GFADRO O=C(N1CCCC1)N1CCC[C@H]([NH2+]C[C@H](O)c2cccc(Br)c2)C1 ZINC000819305784 660254364 /nfs/dbraw/zinc/25/43/64/660254364.db2.gz USBXVINRXQXNDV-IRXDYDNUSA-N 1 0 396.329 2.752 20 0 GFADRO CC(C)(C)OC(=O)NC[C@](C)(O)C[NH2+]CCOc1ccc(Cl)c(F)c1 ZINC000819345426 660256004 /nfs/dbraw/zinc/25/60/04/660256004.db2.gz FLMJLIKYANHYPI-QGZVFWFLSA-N 1 0 376.856 2.723 20 0 GFADRO C[C@](O)(C[NH2+][C@H]1C[C@H]2CCCCN2C1=O)c1ccc(Br)cc1F ZINC000819358409 660256670 /nfs/dbraw/zinc/25/66/70/660256670.db2.gz GYTYUZITZXPXRX-PVUWLOKVSA-N 1 0 385.277 2.539 20 0 GFADRO CCOC(=O)c1csc(CC[NH2+]C[C@@H](O)c2ccc(Br)cc2)n1 ZINC000819255449 660252172 /nfs/dbraw/zinc/25/21/72/660252172.db2.gz AJLZJHPAYAXZKC-CQSZACIVSA-N 1 0 399.310 2.948 20 0 GFADRO Cc1ccc(Br)c(C[NH2+]C[C@H](O)c2ccc(S(C)(=O)=O)cc2)c1 ZINC000819371547 660257265 /nfs/dbraw/zinc/25/72/65/660257265.db2.gz LHXYRYHXVLVOJU-KRWDZBQOSA-N 1 0 398.322 2.984 20 0 GFADRO CN1CC[NH+](C[C@H](O)CNc2ccc3cc(Br)ccc3c2)CC1 ZINC000819461410 660259318 /nfs/dbraw/zinc/25/93/18/660259318.db2.gz UMHZEAMAHZMNFY-GOSISDBHSA-N 1 0 378.314 2.623 20 0 GFADRO C[C@@H]1C[NH+](CCCCNC(=O)c2csc(Br)n2)C[C@@H](C)O1 ZINC000820674406 660302473 /nfs/dbraw/zinc/30/24/73/660302473.db2.gz VQWAPFNYFDMVNC-GHMZBOCLSA-N 1 0 376.320 2.525 20 0 GFADRO C[C@@H]1CN(C(=O)c2cc3cc(Br)cnc3n2C)CC[N@@H+](C2CC2)C1 ZINC000820875299 660309102 /nfs/dbraw/zinc/30/91/02/660309102.db2.gz ZTDBKGZDQPCDQQ-LBPRGKRZSA-N 1 0 391.313 2.892 20 0 GFADRO Cc1c(Br)cc(F)cc1C(=O)N1CCC(CO)([NH2+]C(C)C)CC1 ZINC000821270294 660319818 /nfs/dbraw/zinc/31/98/18/660319818.db2.gz KITMHNHGNAHISH-UHFFFAOYSA-N 1 0 387.293 2.862 20 0 GFADRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1CCn1cnc(Br)n1 ZINC000821379143 660323559 /nfs/dbraw/zinc/32/35/59/660323559.db2.gz BGEJOCJDAVZNGW-HNNXBMFYSA-N 1 0 378.318 2.637 20 0 GFADRO Cc1cc(Br)ncc1NC(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000821817286 660334594 /nfs/dbraw/zinc/33/45/94/660334594.db2.gz GINSLASZCZXPCG-ZDUSSCGKSA-N 1 0 385.306 2.727 20 0 GFADRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C[C@@H]2C(=O)Nc3c2cccc3Br)C1 ZINC000822159757 660341143 /nfs/dbraw/zinc/34/11/43/660341143.db2.gz PJWBWLGMHAVIRJ-JSGCOSHPSA-N 1 0 394.313 2.816 20 0 GFADRO C[C@H]1CCC[N@H+](CCNC(=O)c2ccc(C(F)(F)Br)nc2)C1 ZINC000822100258 660340445 /nfs/dbraw/zinc/34/04/45/660340445.db2.gz BXNJKUQZLXKYNX-NSHDSACASA-N 1 0 376.245 2.988 20 0 GFADRO CCCC1(C[NH2+]CCS(=O)(=O)CC)CCN(C(=O)OC(C)(C)C)CC1 ZINC000822456488 660345939 /nfs/dbraw/zinc/34/59/39/660345939.db2.gz SQAWQJFMTAHEHZ-UHFFFAOYSA-N 1 0 376.563 2.828 20 0 GFADRO Cc1ccc(-c2noc(-c3cn([C@@H]4CCC[NH2+]C4)nn3)n2)cc1Br ZINC000822797898 660354735 /nfs/dbraw/zinc/35/47/35/660354735.db2.gz NODXEIDZUGZFFF-GFCCVEGCSA-N 1 0 389.257 2.991 20 0 GFADRO COc1cccc(C[NH+]2CCC(NC(=O)c3cc(Br)n[nH]3)CC2)c1 ZINC000822835218 660355574 /nfs/dbraw/zinc/35/55/74/660355574.db2.gz IRPSQGZJBKILNB-UHFFFAOYSA-N 1 0 393.285 2.575 20 0 GFADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1cc(Cl)c(Br)cc1F ZINC000822879751 660356427 /nfs/dbraw/zinc/35/64/27/660356427.db2.gz WEDWYPSCRKJJCI-UWVGGRQHSA-N 1 0 391.668 2.835 20 0 GFADRO Ic1ccc(OCc2noc([C@@H]3C[C@]34CC[NH2+]C4)n2)cc1 ZINC000823168000 660363794 /nfs/dbraw/zinc/36/37/94/660363794.db2.gz PGGSKWKOQBFHQL-WFASDCNBSA-N 1 0 397.216 2.720 20 0 GFADRO C[N@@H+](C[C@H](O)c1ccc(Cl)cc1Cl)C[C@@H](O)CNC(=O)OC(C)(C)C ZINC000823205830 660365093 /nfs/dbraw/zinc/36/50/93/660365093.db2.gz ZKSLXHWLKIHNNH-WFASDCNBSA-N 1 0 393.311 2.844 20 0 GFADRO C[N@@H+]1C[C@@H](CNC(=O)c2cc(=O)[nH]cc2Br)[C@H](c2ccccc2)C1 ZINC000823588193 660375808 /nfs/dbraw/zinc/37/58/08/660375808.db2.gz QJRJRWRTPAUNFJ-HIFRSBDPSA-N 1 0 390.281 2.625 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)c1c(Br)nc2n1CCC2)c1cccc(F)c1 ZINC000823596163 660375957 /nfs/dbraw/zinc/37/59/57/660375957.db2.gz HAVNWHVCQWIAST-ZDUSSCGKSA-N 1 0 395.276 2.764 20 0 GFADRO CC[NH+](CC)Cc1ccc(CNC(=O)c2cc(Br)n(C)n2)cc1 ZINC000823758467 660379615 /nfs/dbraw/zinc/37/96/15/660379615.db2.gz ZXKCHFRGMVRUOR-UHFFFAOYSA-N 1 0 379.302 2.954 20 0 GFADRO O=C(/C=C/c1ccc(I)o1)N[C@H]1C[C@@H]([NH+]2CCCC2)C1 ZINC000824096151 660385446 /nfs/dbraw/zinc/38/54/46/660385446.db2.gz YGLQMLICLYSWBD-FVSXHXCTSA-N 1 0 386.233 2.640 20 0 GFADRO C[C@H](CNC(=O)c1csc(I)n1)[NH+]1CCC(C)CC1 ZINC000824245035 660388095 /nfs/dbraw/zinc/38/80/95/660388095.db2.gz NAWFZTQQQXHWHP-SNVBAGLBSA-N 1 0 393.294 2.598 20 0 GFADRO Cn1c(Cl)cnc1-c1csc(NC(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)n1 ZINC000824508657 660395046 /nfs/dbraw/zinc/39/50/46/660395046.db2.gz SCQRBPDBPPHIKV-LLVKDONJSA-N 1 0 378.889 2.675 20 0 GFADRO CCNC(=O)COc1ccc(C[NH2+]C[C@]2(C)CC2(Cl)Cl)cc1OC ZINC000824758485 660401015 /nfs/dbraw/zinc/40/10/15/660401015.db2.gz WVGBZVVUGMNACP-INIZCTEOSA-N 1 0 375.296 2.884 20 0 GFADRO Cn1nc(C(=O)Nc2ccc(N3CCC[N@H+](C)CC3)cc2)cc1Br ZINC000825293744 660418961 /nfs/dbraw/zinc/41/89/61/660418961.db2.gz AELLAWZTZNOFLY-UHFFFAOYSA-N 1 0 392.301 2.577 20 0 GFADRO CCn1ncc(C(=O)N[C@@H]2CC[N@H+](Cc3cccc(C)c3)C2)c1Br ZINC000825328167 660421027 /nfs/dbraw/zinc/42/10/27/660421027.db2.gz LBQQVGKXWBIMBJ-OAHLLOKOSA-N 1 0 391.313 2.978 20 0 GFADRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1c(Br)nc2n1CCC2 ZINC000825400622 660425570 /nfs/dbraw/zinc/42/55/70/660425570.db2.gz SEHABBCSGCIOTK-XQQFMLRXSA-N 1 0 383.334 2.688 20 0 GFADRO Cc1nc(SCC(C)C)sc1CC(=O)NCCN1CCOCC1(C)C ZINC000825928265 660445754 /nfs/dbraw/zinc/44/57/54/660445754.db2.gz PZWMAOLZVPGFMC-UHFFFAOYSA-N 1 0 385.599 2.969 20 0 GFADRO C[NH+](C)CCC[C@@H]1CN(C(=O)c2cnc(CCC(F)(F)F)s2)CCO1 ZINC000826695136 660461699 /nfs/dbraw/zinc/46/16/99/660461699.db2.gz MMANMIHDKLXHSR-GFCCVEGCSA-N 1 0 379.448 2.821 20 0 GFADRO C[NH+](C)CCCOC1CCN(C(=O)[C@@H](O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000826860408 660468969 /nfs/dbraw/zinc/46/89/69/660468969.db2.gz FCDDXZCSZJBMDB-KRWDZBQOSA-N 1 0 389.323 2.986 20 0 GFADRO COc1ncc(S(=O)(=O)N(C)Cc2ccc(C[NH+](C)C)cc2)cc1Cl ZINC000827080669 660477938 /nfs/dbraw/zinc/47/79/38/660477938.db2.gz JAEHCYVENUGZKG-UHFFFAOYSA-N 1 0 383.901 2.626 20 0 GFADRO C[C@]1(CC(=O)N[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2CO)CC1(Cl)Cl ZINC000827142794 660480990 /nfs/dbraw/zinc/48/09/90/660480990.db2.gz RMWBNFWNMDHWIK-RYRKJORJSA-N 1 0 385.335 2.960 20 0 GFADRO COC(=O)N(C)CC[N@H+](C)Cc1cc(Br)c2c(c1)OCCCO2 ZINC000827334711 660489687 /nfs/dbraw/zinc/48/96/87/660489687.db2.gz GNHCOXMJCRLVIU-UHFFFAOYSA-N 1 0 387.274 2.740 20 0 GFADRO C[N@@H+]1CC[C@H]2CN(C(=O)c3cnn(-c4ccc(Br)cc4)c3)CC[C@H]21 ZINC000827340023 660489987 /nfs/dbraw/zinc/48/99/87/660489987.db2.gz XCKZQHLMBGVEEE-SUMWQHHRSA-N 1 0 389.297 2.801 20 0 GFADRO Cc1sc2ncnc(SCC(=O)N3CC[C@@H]4[C@@H](CC[N@H+]4C)C3)c2c1C ZINC000827365846 660491995 /nfs/dbraw/zinc/49/19/95/660491995.db2.gz KUIWYBIISUKBIN-UONOGXRCSA-N 1 0 376.551 2.953 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3c(O)cnc4c(Br)cccc43)CC[C@H]21 ZINC000827255952 660486287 /nfs/dbraw/zinc/48/62/87/660486287.db2.gz VAPYRZNIMXZVQO-BXUZGUMPSA-N 1 0 390.281 2.869 20 0 GFADRO C[NH+](C)CCOC1CCN(C(=O)c2cc(Cl)nc(C(F)(F)F)c2)CC1 ZINC000827470173 660497964 /nfs/dbraw/zinc/49/79/64/660497964.db2.gz CHDHFRMIZYBYPM-UHFFFAOYSA-N 1 0 379.810 2.937 20 0 GFADRO CC(C)[C@@H](CC[NH2+][C@H]1CCC[C@H](S(C)(=O)=O)C1)NC(=O)OC(C)(C)C ZINC000827638852 660506100 /nfs/dbraw/zinc/50/61/00/660506100.db2.gz CCCFJVDMFFBEOY-HRCADAONSA-N 1 0 376.563 2.871 20 0 GFADRO COc1cc(Br)c(C[NH2+]C[C@@H](O)c2ccccc2OC)cc1O ZINC000827947646 660524221 /nfs/dbraw/zinc/52/42/21/660524221.db2.gz AMPZLRIRGHRVSJ-OAHLLOKOSA-N 1 0 382.254 2.995 20 0 GFADRO Cc1cc(C(=O)Nc2cc(N3CC[NH+](C)CC3)ccn2)cnc1Br ZINC000828135973 660536550 /nfs/dbraw/zinc/53/65/50/660536550.db2.gz LSFWHIUYCMYOFJ-UHFFFAOYSA-N 1 0 390.285 2.552 20 0 GFADRO Cc1cc([C@@H]([NH3+])CC(=O)NC2CCN(CC(F)(F)F)CC2)cc(Cl)n1 ZINC000828144985 660537485 /nfs/dbraw/zinc/53/74/85/660537485.db2.gz RDDLXXRZZIERCB-ZDUSSCGKSA-N 1 0 378.826 2.576 20 0 GFADRO C[NH+](C)CC1(O)CCN(C(=O)c2nccc3c(Br)cccc32)CC1 ZINC000828196694 660539089 /nfs/dbraw/zinc/53/90/89/660539089.db2.gz VRIPHFFZPUXCGU-UHFFFAOYSA-N 1 0 392.297 2.526 20 0 GFADRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1ccc(C(F)(F)Br)nc1 ZINC000828590948 660558364 /nfs/dbraw/zinc/55/83/64/660558364.db2.gz HHCYYZOYGMUMPD-PWSUYJOCSA-N 1 0 376.245 2.938 20 0 GFADRO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)C[C@H]1C(=O)Nc2ccc(Br)cc21 ZINC000828958717 660576801 /nfs/dbraw/zinc/57/68/01/660576801.db2.gz IMTBFQYXPFIVLS-VNQPRFMTSA-N 1 0 392.297 2.570 20 0 GFADRO CN(CC[NH+]1CC2(C1)CCOCC2)C(=O)c1cc(F)c(Cl)c(N)c1Cl ZINC000829228334 660585846 /nfs/dbraw/zinc/58/58/46/660585846.db2.gz NBXJJPCBPAIQDV-UHFFFAOYSA-N 1 0 390.286 2.899 20 0 GFADRO Cc1c(Br)cccc1CC(=O)N(C)CC[NH+]1CC2(C1)CCOCC2 ZINC000829241599 660586224 /nfs/dbraw/zinc/58/62/24/660586224.db2.gz CSHDNZYQFQRCLR-UHFFFAOYSA-N 1 0 395.341 2.871 20 0 GFADRO O=C(N1CCC[C@H]1c1ccccc1I)[C@]1(F)CC[NH2+]C1 ZINC000829598144 660602452 /nfs/dbraw/zinc/60/24/52/660602452.db2.gz FUVUKCAFIGRGKA-ZFWWWQNUSA-N 1 0 388.224 2.656 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)[C@@H]2CCO[C@H]2c2cncc(Br)c2)C1 ZINC000829703957 660608487 /nfs/dbraw/zinc/60/84/87/660608487.db2.gz JKSZQKVBWJVBLH-HZMVEIRTSA-N 1 0 396.329 2.911 20 0 GFADRO O=C1OCCN1C[C@@H]1CC[N@@H+](C[C@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000830094979 660634508 /nfs/dbraw/zinc/63/45/08/660634508.db2.gz KGYBTRACDAYOGW-OLZOCXBDSA-N 1 0 389.279 2.507 20 0 GFADRO O=C1OCCN1C[C@@H]1CC[N@@H+](C[C@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000830096005 660634634 /nfs/dbraw/zinc/63/46/34/660634634.db2.gz WQPWZBAVHNMZSB-OCCSQVGLSA-N 1 0 389.279 2.507 20 0 GFADRO C[S@](=O)CC[N@@H+]1CC[C@H](Cc2cccc(I)c2)C1 ZINC000830515359 660660671 /nfs/dbraw/zinc/66/06/71/660660671.db2.gz VFGMEFYVCGLJII-ACJLOTCBSA-N 1 0 377.291 2.534 20 0 GFADRO CN(C)C(=O)O[C@@H]1CCC[N@H+](C[C@@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000830569316 660664724 /nfs/dbraw/zinc/66/47/24/660664724.db2.gz PCMSBNNWKIGPCC-ZIAGYGMSSA-N 1 0 391.295 2.896 20 0 GFADRO CN(C)C(=O)O[C@@H]1CCC[N@H+](C[C@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000830568392 660664767 /nfs/dbraw/zinc/66/47/67/660664767.db2.gz HTYHLCQWWJEGHA-UONOGXRCSA-N 1 0 391.295 2.896 20 0 GFADRO O=C(NC[C@@H]1CCC[C@H](C(F)(F)F)O1)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000830693752 660674088 /nfs/dbraw/zinc/67/40/88/660674088.db2.gz LBJCIOWWDXAABK-SOUVJXGZSA-N 1 0 380.476 2.820 20 0 GFADRO C[C@H](NC(=O)[C@@](C)([NH3+])c1ccc(Br)cc1)C(=O)OC1CCCC1 ZINC000831013004 660690378 /nfs/dbraw/zinc/69/03/78/660690378.db2.gz WMHCROFYDCFZOQ-GTNSWQLSSA-N 1 0 383.286 2.614 20 0 GFADRO CC(C)N1CC[NH+](C2CCN(C(=O)CC[C@@H]3CC3(Cl)Cl)CC2)CC1 ZINC000831378252 660709092 /nfs/dbraw/zinc/70/90/92/660709092.db2.gz FPIHIRVXZDJYMI-OAHLLOKOSA-N 1 0 376.372 2.977 20 0 GFADRO [NH3+][C@H]1CCc2nc(NC(=O)c3sc(N4CCCC4)nc3Cl)sc2C1 ZINC000831667422 660718204 /nfs/dbraw/zinc/71/82/04/660718204.db2.gz XFKZHCMPZASBDL-QMMMGPOBSA-N 1 0 383.930 2.922 20 0 GFADRO O=C(c1cccnc1I)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000831720691 660722457 /nfs/dbraw/zinc/72/24/57/660722457.db2.gz BAQINYIWBHTMDW-QWHCGFSZSA-N 1 0 399.276 2.538 20 0 GFADRO Cc1cc(N2CC[C@@H](NC(=O)CCCCCC[NH3+])C2=O)ccc1Br ZINC000832012883 660746311 /nfs/dbraw/zinc/74/63/11/660746311.db2.gz BPWWZLXSIREHKC-MRXNPFEDSA-N 1 0 396.329 2.888 20 0 GFADRO CCC([NH3+])(CC)CNC(=O)c1ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c1 ZINC000832812080 660801660 /nfs/dbraw/zinc/80/16/60/660801660.db2.gz XXGKDVCWSGMNSZ-UHFFFAOYSA-N 1 0 389.949 2.664 20 0 GFADRO C[C@@H](NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1nc(Br)cs1 ZINC000834509093 660822871 /nfs/dbraw/zinc/82/28/71/660822871.db2.gz WGNGHPCYUVGESK-IUODEOHRSA-N 1 0 396.354 2.975 20 0 GFADRO CCN(CC)C(=O)C[NH2+][C@H](C)c1ccc(F)c(I)c1 ZINC000834534255 660823594 /nfs/dbraw/zinc/82/35/94/660823594.db2.gz KAABLFCAIDQZBW-SNVBAGLBSA-N 1 0 378.229 2.949 20 0 GFADRO C[NH+](C)C[C@]1(O)CCCN(C(=O)Cc2ccc(Cl)cc2Br)C1 ZINC000834569265 660825207 /nfs/dbraw/zinc/82/52/07/660825207.db2.gz LNICHIKDAAVUHU-MRXNPFEDSA-N 1 0 389.721 2.560 20 0 GFADRO C[C@H]([NH2+]CC1=CCCCC1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000834835315 660834668 /nfs/dbraw/zinc/83/46/68/660834668.db2.gz HHUOFRKJYONPJC-AWEZNQCLSA-N 1 0 386.539 2.563 20 0 GFADRO O=C(CN1C(=S)N=NC1c1ccc(Cl)cc1)NCCC[C@H]1CCC[NH2+]1 ZINC000834848924 660834988 /nfs/dbraw/zinc/83/49/88/660834988.db2.gz LBVMNCXLNHGXJV-CQSZACIVSA-N 1 0 379.917 2.536 20 0 GFADRO CCCN(CC[NH+](CC)CC)C(=O)C(=O)Nc1cc(C)cc(Br)n1 ZINC000835267575 660848289 /nfs/dbraw/zinc/84/82/89/660848289.db2.gz LLOHKZPEUAWHHE-UHFFFAOYSA-N 1 0 399.333 2.671 20 0 GFADRO C[C@H](CNC(=O)NC[C@@H](O)c1ccccc1Br)[N@@H+]1CCC[C@@H](C)C1 ZINC000836296453 660898729 /nfs/dbraw/zinc/89/87/29/660898729.db2.gz REHDMPQHFQEVFR-CKEIUWERSA-N 1 0 398.345 2.902 20 0 GFADRO C[C@@]1(CCNC(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)CC1(Cl)Cl ZINC000836312549 660899178 /nfs/dbraw/zinc/89/91/78/660899178.db2.gz ZPKOTHGIVAKIDZ-CZUORRHYSA-N 1 0 378.344 2.761 20 0 GFADRO C[C@H](CNC(=O)NC[C@@H](O)c1ccccc1Br)[NH+]1CCCCC1 ZINC000836346195 660900842 /nfs/dbraw/zinc/90/08/42/660900842.db2.gz SJRMOBJTHSUKJP-CZUORRHYSA-N 1 0 384.318 2.656 20 0 GFADRO CC[NH+](CC)CCN(C(=S)Nc1cccc(C)c1)[C@H]1CCS(=O)(=O)C1 ZINC000011047395 654495605 /nfs/dbraw/zinc/49/56/05/654495605.db2.gz NWEJGAZDZYNEQP-KRWDZBQOSA-N 1 0 383.583 2.523 20 0 GFADRO COc1cc(Br)c(C[NH2+]CCc2nnc3ccccn32)cc1OC ZINC000017319065 654520578 /nfs/dbraw/zinc/52/05/78/654520578.db2.gz FZDUIGSWSQBMJT-UHFFFAOYSA-N 1 0 391.269 2.841 20 0 GFADRO CC(C)(CNS(=O)(=O)c1cccc(Br)c1)[NH+]1CCCCC1 ZINC000026885499 654560438 /nfs/dbraw/zinc/56/04/38/654560438.db2.gz FIKVFTMQDBXDFH-UHFFFAOYSA-N 1 0 375.332 2.992 20 0 GFADRO Cn1cnc(S(=O)(=O)NCc2ccccc2C[NH+]2CCCCC2)c1Cl ZINC000027963122 654567846 /nfs/dbraw/zinc/56/78/46/654567846.db2.gz DJTJAXCQMGERBV-UHFFFAOYSA-N 1 0 382.917 2.538 20 0 GFADRO C[C@H]([NH2+]C1CCN(S(C)(=O)=O)CC1)c1ccc(F)c(Br)c1 ZINC000037270402 654614583 /nfs/dbraw/zinc/61/45/83/654614583.db2.gz PBBYXOIQSPGEEW-JTQLQIEISA-N 1 0 379.295 2.663 20 0 GFADRO O=S(=O)(N[C@H]1CC[NH2+]C2(CCC2)C1)c1ccc(F)cc1Br ZINC000037574212 654615683 /nfs/dbraw/zinc/61/56/83/654615683.db2.gz CLIOVIUYBASHHD-NSHDSACASA-N 1 0 377.279 2.541 20 0 GFADRO COc1c(Br)cc(Br)cc1C[NH2+]CCC(=O)N(C)C ZINC000037751943 654616061 /nfs/dbraw/zinc/61/60/61/654616061.db2.gz RNAIVMIUVDGAEM-UHFFFAOYSA-N 1 0 394.107 2.788 20 0 GFADRO CC(C)[N@H+](C)CCCNC(=O)C(=O)Nc1ccc(Br)cc1Cl ZINC000041717074 654630128 /nfs/dbraw/zinc/63/01/28/654630128.db2.gz FLZOCFSRZCEQMF-UHFFFAOYSA-N 1 0 390.709 2.888 20 0 GFADRO C[C@H](SC(=S)N1CCCC1)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000042215401 654635953 /nfs/dbraw/zinc/63/59/53/654635953.db2.gz OGEFGWARZSGQHQ-RDJZCZTQSA-N 1 0 377.579 2.880 20 0 GFADRO COc1cccc([C@@H](CNC(=O)c2cncc(Br)c2)[NH+](C)C)c1 ZINC000042674225 654641961 /nfs/dbraw/zinc/64/19/61/654641961.db2.gz VUUZDECNOMHFBE-MRXNPFEDSA-N 1 0 378.270 2.885 20 0 GFADRO CC1(C)CC(NC(=O)NNC(=O)c2ccccc2Br)CC(C)(C)[NH2+]1 ZINC000042911220 654646867 /nfs/dbraw/zinc/64/68/67/654646867.db2.gz MNYSHMLIQNEQHK-UHFFFAOYSA-N 1 0 397.317 2.702 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CNC(=S)NNC(=S)Nc1cccc(Cl)c1C ZINC000043570875 654649947 /nfs/dbraw/zinc/64/99/47/654649947.db2.gz LHPSJPATARMRTE-GFCCVEGCSA-N 1 0 385.990 2.798 20 0 GFADRO CC(C)[C@@H](CNC(=O)Nc1nc(C(F)(F)F)cs1)[NH+]1CCN(C)CC1 ZINC000043633799 654650670 /nfs/dbraw/zinc/65/06/70/654650670.db2.gz KHKALXPTVNCHQJ-LLVKDONJSA-N 1 0 379.452 2.555 20 0 GFADRO CN(Cc1ccccc1Br)C(=O)C[N@H+](C[C@H]1CCOC1)C1CC1 ZINC000046091659 654675132 /nfs/dbraw/zinc/67/51/32/654675132.db2.gz YFZKEYSPQPKODW-CQSZACIVSA-N 1 0 381.314 2.908 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1CCNC(=O)/C=C/c1ccc(I)o1 ZINC000046859030 654686707 /nfs/dbraw/zinc/68/67/07/654686707.db2.gz IFHTYZHJDUILQT-WAFBPQNNSA-N 1 0 388.249 2.888 20 0 GFADRO C[C@H](CNC(=O)c1c(Br)nc2n1CCCC2)C[NH+]1CCCCC1 ZINC000837354450 660988664 /nfs/dbraw/zinc/98/86/64/660988664.db2.gz FPZUOEFEDUIAGY-CYBMUJFWSA-N 1 0 383.334 2.834 20 0 GFADRO O=C(NCCCC[NH+]1CCOCC1)C1(c2ccc(Br)cc2)CC1 ZINC000048286292 654704368 /nfs/dbraw/zinc/70/43/68/654704368.db2.gz PFQUOVCAHODIRT-UHFFFAOYSA-N 1 0 381.314 2.709 20 0 GFADRO O=C(NCCC[NH+]1CCCCC1)NC[C@H](O)c1ccccc1Br ZINC000837389288 660992177 /nfs/dbraw/zinc/99/21/77/660992177.db2.gz YTKSYIGCWALMSC-INIZCTEOSA-N 1 0 384.318 2.658 20 0 GFADRO CC(C)[NH+]1CCC(NC(=O)C(=O)Nc2ccc(Br)cc2F)CC1 ZINC000048772993 654712938 /nfs/dbraw/zinc/71/29/38/654712938.db2.gz LVKJHMGWKVHWRI-UHFFFAOYSA-N 1 0 386.265 2.516 20 0 GFADRO O=C(c1c(Br)nc2n1CCCC2)N1CCC(C[NH+]2CCCC2)CC1 ZINC000837414971 660994736 /nfs/dbraw/zinc/99/47/36/660994736.db2.gz UHRQJPGZYYUXBY-UHFFFAOYSA-N 1 0 395.345 2.930 20 0 GFADRO O=S(=O)(NCC[NH2+]Cc1ccc(Br)cc1)c1cccs1 ZINC000122171142 654730220 /nfs/dbraw/zinc/73/02/20/654730220.db2.gz WPLMPDDHRSKXPG-UHFFFAOYSA-N 1 0 375.313 2.579 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2c(Br)nc3n2CCCC3)C[C@@H]1C ZINC000837429689 660996155 /nfs/dbraw/zinc/99/61/55/660996155.db2.gz CTUPRDDDKQXYTC-STQMWFEESA-N 1 0 383.334 2.927 20 0 GFADRO CN(Cc1c(F)cccc1Cl)S(=O)(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000122350101 654735061 /nfs/dbraw/zinc/73/50/61/654735061.db2.gz KGOHPAWAZVSHNT-DYVFJYSZSA-N 1 0 389.924 2.572 20 0 GFADRO C[C@H]1C[NH+](CCCNC(=O)Nc2nnc(-c3ccsc3)s2)C[C@H](C)O1 ZINC000052496622 654736031 /nfs/dbraw/zinc/73/60/31/654736031.db2.gz FNNTWUPDZSKDKH-RYUDHWBXSA-N 1 0 381.527 2.887 20 0 GFADRO CC[NH+]1CCC(CCNC(=O)c2c(Br)nc3n2CCCC3)CC1 ZINC000837435709 660996960 /nfs/dbraw/zinc/99/69/60/660996960.db2.gz MRBSARNNUNABTB-UHFFFAOYSA-N 1 0 383.334 2.834 20 0 GFADRO Cc1ccc(NC(=O)C(=O)NC[C@H](C)C[NH+]2CCCC2)cc1Br ZINC000122445479 654737317 /nfs/dbraw/zinc/73/73/17/654737317.db2.gz PZJLWJKDFCHCNA-LBPRGKRZSA-N 1 0 382.302 2.544 20 0 GFADRO COc1ccsc1S(=O)(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000122454187 654738096 /nfs/dbraw/zinc/73/80/96/654738096.db2.gz TZSAECACOROQQO-INIZCTEOSA-N 1 0 380.535 2.899 20 0 GFADRO C[C@@H](C[NH+]1CCCCC1)NC(=O)Cc1cccc(I)c1 ZINC000122912174 654746590 /nfs/dbraw/zinc/74/65/90/654746590.db2.gz IWFDCXUIFBFVJL-ZDUSSCGKSA-N 1 0 386.277 2.824 20 0 GFADRO C[NH+](C)C1(CNC(=O)c2cc(Cl)cc(Br)c2)CCOCC1 ZINC000122910018 654746658 /nfs/dbraw/zinc/74/66/58/654746658.db2.gz KBUOEZBOHARHFC-UHFFFAOYSA-N 1 0 375.694 2.943 20 0 GFADRO CCCS(=O)(=O)N1CCC([NH2+]Cc2cc(Br)ccc2F)CC1 ZINC000122915846 654746815 /nfs/dbraw/zinc/74/68/15/654746815.db2.gz KNKRFFWGQJYJJH-UHFFFAOYSA-N 1 0 393.322 2.882 20 0 GFADRO C[NH+]1CCC(NC(=O)[C@@H]2CCCN2C(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000054147855 654757574 /nfs/dbraw/zinc/75/75/74/654757574.db2.gz PZFANFTVEWXFQG-INIZCTEOSA-N 1 0 384.307 2.808 20 0 GFADRO COC(=O)c1ccc(S(=O)(=O)NC[C@H]([NH3+])c2ccc(C(C)C)cc2)s1 ZINC000123753463 654762709 /nfs/dbraw/zinc/76/27/09/654762709.db2.gz HYWMOJYYBDUOLE-AWEZNQCLSA-N 1 0 382.507 2.636 20 0 GFADRO CN(Cc1ccccc1Br)C(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000123807388 654764306 /nfs/dbraw/zinc/76/43/06/654764306.db2.gz OMBFTKZGTUHLEW-UHFFFAOYSA-N 1 0 397.361 2.617 20 0 GFADRO CN(Cc1ccc(Br)cc1)C(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000123809408 654764314 /nfs/dbraw/zinc/76/43/14/654764314.db2.gz JIOAYWRTQKVPFN-UHFFFAOYSA-N 1 0 397.361 2.617 20 0 GFADRO CC(C)[N@@H+]1CCCC[C@H]1COC(=O)CNC(=O)c1ccc(Br)o1 ZINC000837380256 660991084 /nfs/dbraw/zinc/99/10/84/660991084.db2.gz OWGVMQSSLKRHJY-LBPRGKRZSA-N 1 0 387.274 2.578 20 0 GFADRO CC(C)[NH+]1CCC(NC(=O)c2ccc(Br)cc2-n2cncn2)CC1 ZINC000124245549 654772673 /nfs/dbraw/zinc/77/26/73/654772673.db2.gz FSRKNHLFZIUYPY-UHFFFAOYSA-N 1 0 392.301 2.632 20 0 GFADRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)c2cc(S(C)(=O)=O)ccc2Cl)C1 ZINC000124498590 654776639 /nfs/dbraw/zinc/77/66/39/654776639.db2.gz UNYZVDSFAGSRRS-AWEZNQCLSA-N 1 0 386.945 2.841 20 0 GFADRO C[N@H+](CCC(=O)NCc1ccccc1Cl)[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000125794858 654802323 /nfs/dbraw/zinc/80/23/23/654802323.db2.gz XVDKDAJLTTWDSQ-SJORKVTESA-N 1 0 386.945 2.634 20 0 GFADRO C[C@H](CNC(=O)CCNC(=O)Nc1ccc(Br)cc1)[N@H+](C)C1CC1 ZINC000057707821 654808867 /nfs/dbraw/zinc/80/88/67/654808867.db2.gz GHYZQRMRVPZRPY-GFCCVEGCSA-N 1 0 397.317 2.560 20 0 GFADRO CC(=O)N[C@@H](CC(=O)NC[C@@H](C)[N@H+](C)C1CC1)c1ccc(Br)cc1 ZINC000057716947 654809025 /nfs/dbraw/zinc/80/90/25/654809025.db2.gz RTFHUOROPNGWGL-PXAZEXFGSA-N 1 0 396.329 2.615 20 0 GFADRO C[NH+]1CCC(CNC(=O)c2cn(-c3ccc(Br)cc3)cn2)CC1 ZINC000126699854 654819463 /nfs/dbraw/zinc/81/94/63/654819463.db2.gz WZYKEGBICJRELD-UHFFFAOYSA-N 1 0 377.286 2.706 20 0 GFADRO Cc1cc(Cl)ccc1S(=O)(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000127523359 654831353 /nfs/dbraw/zinc/83/13/53/654831353.db2.gz MBUXYHPGJYWHCH-IAGOWNOFSA-N 1 0 386.945 2.695 20 0 GFADRO Cc1nn(Cc2ccccc2Cl)c(Cl)c1C[NH2+]CCN1CCOCC1 ZINC000061003299 654835066 /nfs/dbraw/zinc/83/50/66/654835066.db2.gz DGSHULAUFPKZMV-UHFFFAOYSA-N 1 0 383.323 2.968 20 0 GFADRO O=S(=O)(c1ccc(Br)cc1Cl)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000061858314 654842895 /nfs/dbraw/zinc/84/28/95/654842895.db2.gz RUCQWMKHQYNAKM-LBPRGKRZSA-N 1 0 393.734 2.961 20 0 GFADRO CCN(CCC[NH2+][C@@H]1CCc2ccc(OC(F)(F)F)cc21)S(C)(=O)=O ZINC000128378455 654844966 /nfs/dbraw/zinc/84/49/66/654844966.db2.gz QMKVZZVTLZHNTP-OAHLLOKOSA-N 1 0 380.432 2.834 20 0 GFADRO CCC[NH+]1CCC(CNC(=O)C(=O)Nc2cccc(Br)c2)CC1 ZINC000128615863 654848727 /nfs/dbraw/zinc/84/87/27/654848727.db2.gz KMQYRFMHGPMCJK-UHFFFAOYSA-N 1 0 382.302 2.626 20 0 GFADRO COc1ccc(Br)cc1C(=O)CCC(=O)NCC[N@H+](C)C1CC1 ZINC000063116916 654848857 /nfs/dbraw/zinc/84/88/57/654848857.db2.gz YWTGWTWXDUAKPI-UHFFFAOYSA-N 1 0 383.286 2.631 20 0 GFADRO COCC[N@H+](C)CCCNC(=O)CCc1ccc(Br)cc1F ZINC000063242415 654850789 /nfs/dbraw/zinc/85/07/89/654850789.db2.gz XWZIUQAMXVGOQN-UHFFFAOYSA-N 1 0 375.282 2.605 20 0 GFADRO Cc1ccc(Br)c(NC(=O)C(=O)NC[C@@H](C)C[NH+]2CCCC2)c1 ZINC000128682047 654850819 /nfs/dbraw/zinc/85/08/19/654850819.db2.gz FQULWQJQCVKAFE-CYBMUJFWSA-N 1 0 382.302 2.544 20 0 GFADRO C[NH+](C)C1CCN(C(=O)Cc2csc(NC(=O)c3cccs3)n2)CC1 ZINC000063735237 654856790 /nfs/dbraw/zinc/85/67/90/654856790.db2.gz PIUWDDATQDFTHM-UHFFFAOYSA-N 1 0 378.523 2.552 20 0 GFADRO Cc1cc(S(=O)(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)ccc1Br ZINC000129180225 654859399 /nfs/dbraw/zinc/85/93/99/654859399.db2.gz SFXKDSPQFLDLGZ-CZUORRHYSA-N 1 0 387.343 2.862 20 0 GFADRO CN(CC[NH+]1CCN(c2ccccc2)CC1)Cc1c(Cl)nc(Cl)n1C ZINC000129199373 654860033 /nfs/dbraw/zinc/86/00/33/654860033.db2.gz ISBDHCPZQSCOPL-UHFFFAOYSA-N 1 0 382.339 2.981 20 0 GFADRO CC(=O)N(c1nn(CN2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)c(=S)s1)C1CC1 ZINC000129216330 654860782 /nfs/dbraw/zinc/86/07/82/654860782.db2.gz JCAQNGDCMWWUJC-HIFRSBDPSA-N 1 0 381.571 2.563 20 0 GFADRO C[C@H]([NH2+]C[C@@H]1CCCN(S(C)(=O)=O)C1)c1ccc(Br)cc1 ZINC000129220599 654861069 /nfs/dbraw/zinc/86/10/69/654861069.db2.gz QWMIQKLWIYAMNB-STQMWFEESA-N 1 0 375.332 2.771 20 0 GFADRO Cc1cc(NC(=O)c2cc(Br)n(C)n2)ccc1OCC[NH+](C)C ZINC000838174720 661031798 /nfs/dbraw/zinc/03/17/98/661031798.db2.gz HVDBSBBQVLEVJX-UHFFFAOYSA-N 1 0 381.274 2.684 20 0 GFADRO CS(=O)(=O)[C@@H]1CCC[C@@H]([NH2+][C@H]2CCCN(c3ccccc3Cl)C2=O)C1 ZINC000266430139 654878775 /nfs/dbraw/zinc/87/87/75/654878775.db2.gz CVEVJPDJXXVMIO-FMKPAKJESA-N 1 0 384.929 2.781 20 0 GFADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc(F)ccc2I)C1 ZINC000266458515 654880023 /nfs/dbraw/zinc/88/00/23/654880023.db2.gz ZBNJSECCOMRPLL-NSHDSACASA-N 1 0 390.240 2.844 20 0 GFADRO Cc1ccc(NC(=O)C(=O)NC[C@H](C)[NH+]2CCC(C)CC2)c(Br)c1 ZINC000065601941 654881913 /nfs/dbraw/zinc/88/19/13/654881913.db2.gz PYEJHNOOAAHRMC-AWEZNQCLSA-N 1 0 396.329 2.933 20 0 GFADRO O=C(N[C@@H]1CCOc2ccc(Br)cc21)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000266680549 654889707 /nfs/dbraw/zinc/88/97/07/654889707.db2.gz CMUAIPFVXQUQLM-GDBMZVCRSA-N 1 0 392.297 2.928 20 0 GFADRO O=c1oc2cc(Br)ccc2n1CN1CC[C@H](C[NH+]2CCCC2)C1 ZINC000131347620 654902808 /nfs/dbraw/zinc/90/28/08/654902808.db2.gz VEDPUSODIMDFJS-CYBMUJFWSA-N 1 0 380.286 2.732 20 0 GFADRO O=C(NCCCC[N@H+]1CCC[C@@H]1CO)c1[nH]c2ccccc2c1Br ZINC000131435774 654906833 /nfs/dbraw/zinc/90/68/33/654906833.db2.gz XJFYLAYVWQRJBX-CYBMUJFWSA-N 1 0 394.313 2.897 20 0 GFADRO CN(C[C@H](O)c1ccccc1Br)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000838318422 661040437 /nfs/dbraw/zinc/04/04/37/661040437.db2.gz RRVWMGOGCLSGNX-KRWDZBQOSA-N 1 0 398.345 2.998 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2ccc(NC(C)=O)c(Cl)c2)[C@@H](C)C1 ZINC000267250598 654920268 /nfs/dbraw/zinc/92/02/68/654920268.db2.gz UVERWMRBVXBVSF-SJCJKPOMSA-N 1 0 387.933 2.649 20 0 GFADRO COc1cc(Br)c(CNc2ccn(CC[NH+](C)C)n2)cc1OC ZINC000131953597 654923080 /nfs/dbraw/zinc/92/30/80/654923080.db2.gz IFNCLVQUFGUMOW-UHFFFAOYSA-N 1 0 383.290 2.837 20 0 GFADRO CN(Cc1ccc([S@](C)=O)cc1)C(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000267374475 654925604 /nfs/dbraw/zinc/92/56/04/654925604.db2.gz UDYITFWKXREGKT-NSYGIPOTSA-N 1 0 379.551 2.930 20 0 GFADRO C[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)C1 ZINC000067044574 654927469 /nfs/dbraw/zinc/92/74/69/654927469.db2.gz PJYOPCPZMXLVKA-ZIAGYGMSSA-N 1 0 384.307 2.899 20 0 GFADRO O=C(Nc1ccc(F)c(Br)c1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000267424943 654927810 /nfs/dbraw/zinc/92/78/10/654927810.db2.gz ANKHTIDLHFVWPC-GFCCVEGCSA-N 1 0 386.265 2.774 20 0 GFADRO COc1ccc(NC(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)cc1Br ZINC000267462161 654929647 /nfs/dbraw/zinc/92/96/47/654929647.db2.gz LUVCQWVBWFPNFA-CYBMUJFWSA-N 1 0 398.301 2.644 20 0 GFADRO O=C(C[NH2+][C@@]1(CO)CCc2ccccc21)Nc1ccc(Br)cc1 ZINC000132255915 654931027 /nfs/dbraw/zinc/93/10/27/654931027.db2.gz FDCXAQWHAOMBFE-GOSISDBHSA-N 1 0 375.266 2.811 20 0 GFADRO C[NH+]1CCN(CCCNC(=O)c2csc(-c3ccccc3Cl)n2)CC1 ZINC000067190709 654933090 /nfs/dbraw/zinc/93/30/90/654933090.db2.gz VNDGDHNNHFYBKQ-UHFFFAOYSA-N 1 0 378.929 2.831 20 0 GFADRO CC1CC[NH+](CCCCNC(=O)Nc2cc(Br)cn(C)c2=O)CC1 ZINC000267545584 654934091 /nfs/dbraw/zinc/93/40/91/654934091.db2.gz BFWDVYRHZQAMTH-UHFFFAOYSA-N 1 0 399.333 2.781 20 0 GFADRO O=C(NCC1CC1)[C@H]1CCC[N@@H+](C[C@H](O)c2ccccc2Br)C1 ZINC000132366496 654935408 /nfs/dbraw/zinc/93/54/08/654935408.db2.gz ZZQKNYWQNHNENH-YOEHRIQHSA-N 1 0 381.314 2.721 20 0 GFADRO O[C@@H](CN1CCC(C[NH+]2CCOCC2)CC1)c1ccccc1Br ZINC000132451423 654938297 /nfs/dbraw/zinc/93/82/97/654938297.db2.gz DTBVZLIZCCGMLW-SFHVURJKSA-N 1 0 383.330 2.527 20 0 GFADRO O=C(NCc1n[nH]cc1Br)c1ccc(C[NH+]2CCSCC2)cc1 ZINC000068394984 654961728 /nfs/dbraw/zinc/96/17/28/654961728.db2.gz BACCYUPSKGQIDX-UHFFFAOYSA-N 1 0 395.326 2.651 20 0 GFADRO CC[NH+](CC)CCOc1ccc(C(=O)NCc2n[nH]cc2Br)cc1 ZINC000068395359 654961784 /nfs/dbraw/zinc/96/17/84/654961784.db2.gz PLNYMCCNNYOVCO-UHFFFAOYSA-N 1 0 395.301 2.823 20 0 GFADRO CCCC[NH+]1CCC(NC(=O)CNC(=O)c2cccc(Br)c2)CC1 ZINC000068443029 654962268 /nfs/dbraw/zinc/96/22/68/654962268.db2.gz AXCKJVVCWQYCLK-UHFFFAOYSA-N 1 0 396.329 2.560 20 0 GFADRO CC(C)[C@H](C(=O)NCc1nnc2c(Cl)cc(C(F)(F)F)cn12)[NH+](C)C ZINC000268351211 654967982 /nfs/dbraw/zinc/96/79/82/654967982.db2.gz KQNALHJXRGKAMX-GFCCVEGCSA-N 1 0 377.798 2.604 20 0 GFADRO O=C(CN1CCC[C@H]1C[NH+]1CCCCC1)Nc1ccc(Br)cn1 ZINC000069034024 654971624 /nfs/dbraw/zinc/97/16/24/654971624.db2.gz BBZOAQUGVIHZDJ-HNNXBMFYSA-N 1 0 381.318 2.733 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)N(C)C[C@H](O)c2ccccc2Br)CC[N@@H+]1C ZINC000838490221 661047258 /nfs/dbraw/zinc/04/72/58/661047258.db2.gz BWDHYDDNOKJTCP-IOASZLSFSA-N 1 0 384.318 2.607 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000268678394 654982393 /nfs/dbraw/zinc/98/23/93/654982393.db2.gz DGDODHXLDHOJMS-GFCCVEGCSA-N 1 0 394.313 2.551 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)Nc1cccc(CS(C)(=O)=O)c1)c1ccsc1 ZINC000069787897 654986278 /nfs/dbraw/zinc/98/62/78/654986278.db2.gz GWBSXUJYAKIHKC-INIZCTEOSA-N 1 0 381.523 2.717 20 0 GFADRO C[S@@](=O)c1ccc(C(=O)NCC2([NH+]3CCSCC3)CCCCC2)cc1 ZINC000069789014 654986421 /nfs/dbraw/zinc/98/64/21/654986421.db2.gz QEIDOFDIQRTESY-VWLOTQADSA-N 1 0 380.579 2.906 20 0 GFADRO Brc1ccc2nc(CN3CCC[C@H](C[NH+]4CCOCC4)C3)cn2c1 ZINC000069803343 654986700 /nfs/dbraw/zinc/98/67/00/654986700.db2.gz DFFIOLOUHIESRR-OAHLLOKOSA-N 1 0 393.329 2.641 20 0 GFADRO CCOc1cccc(C[NH2+]CC2CCN(S(=O)(=O)C(F)(F)F)CC2)c1 ZINC000069875912 654988619 /nfs/dbraw/zinc/98/86/19/654988619.db2.gz VUWLYCSFSQEBEH-UHFFFAOYSA-N 1 0 380.432 2.737 20 0 GFADRO CS(=O)(=O)N1CCC([NH2+][C@@H]2CCc3c2c(Br)ccc3F)CC1 ZINC000134306283 654990024 /nfs/dbraw/zinc/99/00/24/654990024.db2.gz BHLRAOIQSXGEGY-CQSZACIVSA-N 1 0 391.306 2.589 20 0 GFADRO C[C@H]([NH2+]C[C@]1(N(C)C)CCSC1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000268912702 654990805 /nfs/dbraw/zinc/99/08/05/654990805.db2.gz IBYQAGZLCOKBCB-BLLLJJGKSA-N 1 0 378.510 2.771 20 0 GFADRO O=C(NCCOCC(F)(F)F)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000070060318 654992164 /nfs/dbraw/zinc/99/21/64/654992164.db2.gz WUCOMSWTYWWFBP-UHFFFAOYSA-N 1 0 383.480 2.616 20 0 GFADRO [NH3+][C@@H](Cc1ccccc1)C(=O)N[C@@H]1CCOc2ccc(Br)cc21 ZINC000269038768 654996106 /nfs/dbraw/zinc/99/61/06/654996106.db2.gz GICUBTIUJMGGAO-JKSUJKDBSA-N 1 0 375.266 2.959 20 0 GFADRO C[C@H]([NH2+]C[C@H](O)COc1cccc(Br)c1)c1nnc2ccccn21 ZINC000070869366 654996343 /nfs/dbraw/zinc/99/63/43/654996343.db2.gz QWKZTAGYKVVMEY-JSGCOSHPSA-N 1 0 391.269 2.582 20 0 GFADRO O=C(Nc1cccc(Br)c1)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000269177021 655000687 /nfs/dbraw/zinc/00/06/87/655000687.db2.gz ISVHVZATMKQSGA-JKSUJKDBSA-N 1 0 382.302 2.948 20 0 GFADRO CCc1c(NC(=O)C[C@@H]2C[NH2+]CCO2)n[nH]c1-c1ccc(Br)cc1 ZINC000269220150 655002094 /nfs/dbraw/zinc/00/20/94/655002094.db2.gz MZGZDFISQWTOHP-CYBMUJFWSA-N 1 0 393.285 2.719 20 0 GFADRO COc1c(Br)cc(C[NH2+]CC[S@](C)=O)cc1Br ZINC000134742105 655002653 /nfs/dbraw/zinc/00/26/53/655002653.db2.gz UHPDUKORZMFQNP-QGZVFWFLSA-N 1 0 385.121 2.688 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)c2cc(F)ccc2I)C1 ZINC000269288134 655004278 /nfs/dbraw/zinc/00/42/78/655004278.db2.gz SXPARGAQOUBIQX-UWVGGRQHSA-N 1 0 376.213 2.630 20 0 GFADRO CC[NH+]1CCC(NC(=O)C(=O)Nc2c(C)cc(C)cc2Br)CC1 ZINC000269338680 655006123 /nfs/dbraw/zinc/00/61/23/655006123.db2.gz UYJWWGFRJHZWLN-UHFFFAOYSA-N 1 0 382.302 2.605 20 0 GFADRO C[NH+](C)[C@H]1CCN(c2ccc(NC(=O)c3ccc(Br)cn3)nc2)C1 ZINC000269435756 655009407 /nfs/dbraw/zinc/00/94/07/655009407.db2.gz PPMZTKOMEXHCOB-AWEZNQCLSA-N 1 0 390.285 2.632 20 0 GFADRO CC[NH+](CC)CC(=O)N1CCN(C[C@H](O)c2ccc(Cl)cc2Cl)CC1 ZINC000135384622 655015086 /nfs/dbraw/zinc/01/50/86/655015086.db2.gz KROFAGXINADXOG-KRWDZBQOSA-N 1 0 388.339 2.513 20 0 GFADRO C[C@@H]1C[N@@H+](CCCNc2cc(Br)cc(F)c2C(N)=O)C[C@H](C)O1 ZINC000092827913 655015873 /nfs/dbraw/zinc/01/58/73/655015873.db2.gz GEZZQFPKANPDML-PHIMTYICSA-N 1 0 388.281 2.598 20 0 GFADRO COc1ccc(CC[NH2+]Cc2cc(Cl)cc(Cl)c2)cc1S(N)(=O)=O ZINC000094013841 655025900 /nfs/dbraw/zinc/02/59/00/655025900.db2.gz JOOXPJASZKVSIO-UHFFFAOYSA-N 1 0 389.304 2.982 20 0 GFADRO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)c1cnn2cc(Br)cnc12 ZINC000094077048 655027082 /nfs/dbraw/zinc/02/70/82/655027082.db2.gz FQEBZINSHPQFSL-AWEZNQCLSA-N 1 0 394.317 2.876 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc(Br)cc1[O-] ZINC000094082888 655027129 /nfs/dbraw/zinc/02/71/29/655027129.db2.gz DSCFCABYXDJDRG-HNNXBMFYSA-N 1 0 398.345 2.643 20 0 GFADRO C[NH+](C)CCn1cc(NS(=O)(=O)c2cc(Cl)cc(Cl)c2)ccc1=O ZINC000270017601 655031294 /nfs/dbraw/zinc/03/12/94/655031294.db2.gz HUUUCDJNZKMWRF-UHFFFAOYSA-N 1 0 390.292 2.518 20 0 GFADRO COCC(=O)N1CCC([NH2+]Cc2cc(Cl)ccc2Br)CC1 ZINC000097498638 655035526 /nfs/dbraw/zinc/03/55/26/655035526.db2.gz RNAYIZSUOMSCLV-UHFFFAOYSA-N 1 0 375.694 2.830 20 0 GFADRO C[NH+]1CCC([C@H]2CCN(S(=O)(=O)c3sccc3Br)C2)CC1 ZINC000270169333 655035932 /nfs/dbraw/zinc/03/59/32/655035932.db2.gz CGVUDSKSOSENPP-LBPRGKRZSA-N 1 0 393.372 2.863 20 0 GFADRO CC[NH+](CC)CC(=O)N[C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000137351308 655039863 /nfs/dbraw/zinc/03/98/63/655039863.db2.gz SRBJKMZPTXVYRN-LBPRGKRZSA-N 1 0 378.826 2.791 20 0 GFADRO C[NH+]1CCN(CCCNC(=O)Cc2csc(-c3ccc(Cl)s3)n2)CC1 ZINC000098112422 655040567 /nfs/dbraw/zinc/04/05/67/655040567.db2.gz RNQMGTHDFNNLRT-UHFFFAOYSA-N 1 0 398.985 2.821 20 0 GFADRO COc1cc(C(=O)NC[C@]2([NH+](C)C)CCSC2)sc1Br ZINC000270330385 655041209 /nfs/dbraw/zinc/04/12/09/655041209.db2.gz BOIKCWVPVYIMRV-CYBMUJFWSA-N 1 0 379.345 2.686 20 0 GFADRO C[C@@H](C[C@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]CCS(=O)(=O)C(C)(C)C ZINC000138497968 655043112 /nfs/dbraw/zinc/04/31/12/655043112.db2.gz VQUGZAGRSZCWTP-LSDHHAIUSA-N 1 0 376.563 2.967 20 0 GFADRO CC(C)NC(=O)C[NH+]1CCC(C(=O)Nc2ccccc2Br)CC1 ZINC000101916688 655048366 /nfs/dbraw/zinc/04/83/66/655048366.db2.gz GSVQMFYCBUHCKT-UHFFFAOYSA-N 1 0 382.302 2.624 20 0 GFADRO CC(C)[N@H+](C)CCNC(=O)[C@@H]1CCCN1C(=O)c1ccc(Br)cc1 ZINC000101956180 655049156 /nfs/dbraw/zinc/04/91/56/655049156.db2.gz CIVDUZVXJHROJQ-INIZCTEOSA-N 1 0 396.329 2.510 20 0 GFADRO COc1cc(CNC(=O)NCC[N@H+](C)C(C)C)cc(Br)c1OC ZINC000102015507 655049626 /nfs/dbraw/zinc/04/96/26/655049626.db2.gz MKDZNVXNJZFQEZ-UHFFFAOYSA-N 1 0 388.306 2.606 20 0 GFADRO CC(C)[NH+]1CCC(O)(CNC(=O)[C@@H](C)Cc2ccc(Br)cc2)CC1 ZINC000270852503 655057880 /nfs/dbraw/zinc/05/78/80/655057880.db2.gz KBKGWRDTGODQMJ-HNNXBMFYSA-N 1 0 397.357 2.979 20 0 GFADRO O=C(Nc1cccc(Br)c1)C1CC[NH+](CCn2ccnc2)CC1 ZINC000270873178 655058591 /nfs/dbraw/zinc/05/85/91/655058591.db2.gz MEASZJSDSSJVMB-UHFFFAOYSA-N 1 0 377.286 2.996 20 0 GFADRO Cc1ccc(C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)cc1I ZINC000102754745 655059831 /nfs/dbraw/zinc/05/98/31/655059831.db2.gz YTPSZKAPHCMQJU-CQSZACIVSA-N 1 0 384.261 2.910 20 0 GFADRO Cc1ccc(-n2nc(Br)cc2C(=O)NC[C@@H]2CCC[N@H+]2C)cc1 ZINC000154603689 655077129 /nfs/dbraw/zinc/07/71/29/655077129.db2.gz VNPXMZRWUNMGAS-AWEZNQCLSA-N 1 0 377.286 2.767 20 0 GFADRO CC[N@@H+]1CCCC[C@@H]1C(=O)NCC(=O)Nc1ccc(Br)c(C)c1 ZINC000104150606 655079314 /nfs/dbraw/zinc/07/93/14/655079314.db2.gz UZQLGKZEWVEMPH-OAHLLOKOSA-N 1 0 382.302 2.687 20 0 GFADRO C[C@H]([NH2+][C@H]1CCC[C@@H](C)C1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000155568331 655085668 /nfs/dbraw/zinc/08/56/68/655085668.db2.gz JCROZLHBTNAPEF-YCPHGPKFSA-N 1 0 388.555 2.642 20 0 GFADRO Cn1cnc2cc(C[NH2+]C[C@@H](O)COc3ccccc3Br)ccc21 ZINC000271658956 655089938 /nfs/dbraw/zinc/08/99/38/655089938.db2.gz KPXWRIIQPDMEQV-CQSZACIVSA-N 1 0 390.281 2.865 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)N(C)Cc2ccc(Cl)s2)CC1=O ZINC000105316944 655090564 /nfs/dbraw/zinc/09/05/64/655090564.db2.gz VEUPRDFBVNDMAE-KGLIPLIRSA-N 1 0 383.945 2.693 20 0 GFADRO C[C@@H]([NH2+]Cc1cccc(S(=O)(=O)N(C)C)c1)c1ccc([S@@](C)=O)cc1 ZINC000271850271 655096843 /nfs/dbraw/zinc/09/68/43/655096843.db2.gz VVTSWFIIFJFLQJ-JBEBIEQOSA-N 1 0 380.535 2.525 20 0 GFADRO O=S1(=O)CC[C@@]2(C1)C[C@H]([NH2+]Cc1cc(Cl)cc3cccnc31)CCO2 ZINC000271975328 655099763 /nfs/dbraw/zinc/09/97/63/655099763.db2.gz ILDZSHVHBSYWCA-AEFFLSMTSA-N 1 0 380.897 2.714 20 0 GFADRO O=S1(=O)CC[C@]2(C1)C[C@H]([NH2+]Cc1cc(C(F)(F)F)ccc1F)CCO2 ZINC000272106090 655102860 /nfs/dbraw/zinc/10/28/60/655102860.db2.gz WWJPOTPXKAWIRM-UKRRQHHQSA-N 1 0 381.391 2.670 20 0 GFADRO O=S(=O)(c1c(Cl)ccnc1Cl)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000272244598 655106844 /nfs/dbraw/zinc/10/68/44/655106844.db2.gz RQDNHRSXRHJHBR-GFCCVEGCSA-N 1 0 378.325 2.885 20 0 GFADRO C[C@@H](c1ccccc1Br)N(C)C[C@@H](O)C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000106384101 655107552 /nfs/dbraw/zinc/10/75/52/655107552.db2.gz DKBOBUHXCQMKNO-LVQVYYBASA-N 1 0 385.346 2.912 20 0 GFADRO C[NH+](C)C1(C(=O)N2CCN(Cc3ccc(Br)s3)CC2)CCC1 ZINC000158594883 655107618 /nfs/dbraw/zinc/10/76/18/655107618.db2.gz CLXZBQLOINEGGT-UHFFFAOYSA-N 1 0 386.359 2.639 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)[C@@H](c2ccc(Cl)cc2Cl)N2CCOCC2)C1 ZINC000272287915 655108052 /nfs/dbraw/zinc/10/80/52/655108052.db2.gz PCXZJMQGFNYTFU-OGHNNQOOSA-N 1 0 386.323 2.562 20 0 GFADRO CC(C)[C@H](C(=O)N1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1)[NH+](C)C ZINC000106430719 655108740 /nfs/dbraw/zinc/10/87/40/655108740.db2.gz NMCGIEDQAUNJSD-MRXNPFEDSA-N 1 0 386.323 2.864 20 0 GFADRO COc1ccc(S(=O)(=O)N2CC[C@H]3CC[N@H+](C)C[C@@H]32)c(Cl)c1Cl ZINC000272374070 655110241 /nfs/dbraw/zinc/11/02/41/655110241.db2.gz GYCGLQDSKRBGCR-MNOVXSKESA-N 1 0 379.309 2.717 20 0 GFADRO CC[NH+]1CCC(NC(=O)c2cnn(-c3cccc(Br)c3)c2)CC1 ZINC000106732284 655110340 /nfs/dbraw/zinc/11/03/40/655110340.db2.gz KLMBVRXVEPPSNT-UHFFFAOYSA-N 1 0 377.286 2.849 20 0 GFADRO Brc1cnn(CN2CCC[C@@H](C[NH+]3CCOCC3)C2)c1C1CC1 ZINC000159374894 655113596 /nfs/dbraw/zinc/11/35/96/655113596.db2.gz YUIOSPYTTHIENM-AWEZNQCLSA-N 1 0 383.334 2.525 20 0 GFADRO C[C@@H](C1CC[NH+](C)CC1)N(C)S(=O)(=O)c1ccc(Br)s1 ZINC000272526077 655115614 /nfs/dbraw/zinc/11/56/14/655115614.db2.gz OFYNLXKNNNGWQD-JTQLQIEISA-N 1 0 381.361 2.861 20 0 GFADRO CSc1ccsc1C(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000107144088 655118064 /nfs/dbraw/zinc/11/80/64/655118064.db2.gz AGXIUTIPXPARPL-UHFFFAOYSA-N 1 0 377.535 2.691 20 0 GFADRO Cc1ccc(-n2nc(Br)cc2C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000161051225 655125558 /nfs/dbraw/zinc/12/55/58/655125558.db2.gz IYACUMLIIHBAEU-CHWSQXEVSA-N 1 0 377.286 2.943 20 0 GFADRO CC[N@@H+]1CC[C@H](CNC(=O)c2ccc(-n3cc(Br)cn3)cc2)C1 ZINC000107893904 655126021 /nfs/dbraw/zinc/12/60/21/655126021.db2.gz PAESTXODYMOPBC-CYBMUJFWSA-N 1 0 377.286 2.706 20 0 GFADRO O=C(NC[C@H]1CC[NH2+]C1)c1ccc(Oc2cccc(Br)c2)nc1 ZINC000272968249 655126933 /nfs/dbraw/zinc/12/69/33/655126933.db2.gz BBXRPMRHJXJYDD-LBPRGKRZSA-N 1 0 376.254 2.976 20 0 GFADRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2sccc2S(=O)(=O)C(F)F)C1 ZINC000108258920 655129762 /nfs/dbraw/zinc/12/97/62/655129762.db2.gz SKIYLGZYQSWACU-VXGBXAGGSA-N 1 0 394.509 2.842 20 0 GFADRO CC(C)[NH2+]C1CCN(CC(=O)N(C)Cc2ccccc2Br)CC1 ZINC000108371605 655131650 /nfs/dbraw/zinc/13/16/50/655131650.db2.gz HIWSKMUAULSALC-UHFFFAOYSA-N 1 0 382.346 2.870 20 0 GFADRO CCCC[NH+]1CCC(NC(=O)c2sccc2S(=O)(=O)C(F)F)CC1 ZINC000108463129 655133068 /nfs/dbraw/zinc/13/30/68/655133068.db2.gz NFCHOVOGTBLJPD-UHFFFAOYSA-N 1 0 380.482 2.739 20 0 GFADRO COC(=O)c1sc(NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)nc1Cl ZINC000273167145 655133453 /nfs/dbraw/zinc/13/34/53/655133453.db2.gz JWYCHXURTVZGBC-CYBMUJFWSA-N 1 0 381.885 2.762 20 0 GFADRO C[N@@H+]1CCC[C@H](CNC(=O)N2CCO[C@H](c3ccccc3Br)C2)C1 ZINC000108589857 655135029 /nfs/dbraw/zinc/13/50/29/655135029.db2.gz QDHCHZIMCOOGKG-PBHICJAKSA-N 1 0 396.329 2.874 20 0 GFADRO C[N@@H+]1CCC[C@H](CNC(=O)N[C@@H]2CCN(c3ccc(Br)cc3)C2)C1 ZINC000108573792 655135062 /nfs/dbraw/zinc/13/50/62/655135062.db2.gz OVFJADYMRNGDIW-GDBMZVCRSA-N 1 0 395.345 2.669 20 0 GFADRO CN(C)C(=O)CCC[NH2+]Cc1ncc(Br)cc1Br ZINC000273260698 655136922 /nfs/dbraw/zinc/13/69/22/655136922.db2.gz XWZUNJRKHAATBF-UHFFFAOYSA-N 1 0 379.096 2.565 20 0 GFADRO C[N@@H+]1CCC[C@@H]2CN(Cn3c4ccc(Br)cc4oc3=O)CC[C@@H]21 ZINC000164661447 655138025 /nfs/dbraw/zinc/13/80/25/655138025.db2.gz PURAWBOZPYGYEU-OCCSQVGLSA-N 1 0 380.286 2.731 20 0 GFADRO Cc1cc(Br)cn2cc(CC[NH2+]Cc3cc(C(N)=O)cs3)nc12 ZINC000273369941 655140943 /nfs/dbraw/zinc/14/09/43/655140943.db2.gz FASOLHDMDXBMFJ-UHFFFAOYSA-N 1 0 393.310 2.898 20 0 GFADRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)c3cc(-c4ccc(Br)cc4)n[nH]3)C[C@@H]12 ZINC000273479144 655144764 /nfs/dbraw/zinc/14/47/64/655144764.db2.gz SCBULBILLGGKRL-IACUBPJLSA-N 1 0 375.270 2.649 20 0 GFADRO C[NH+]=C(NCc1ccco1)NCc1nnc(-c2ccc(Br)cc2)[nH]1 ZINC000171412586 655151537 /nfs/dbraw/zinc/15/15/37/655151537.db2.gz ZRFRPSMZEVKFIQ-UHFFFAOYSA-N 1 0 389.257 2.692 20 0 GFADRO COCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](Cc2sc(C)nc2C(F)(F)F)C1 ZINC000273636233 655151945 /nfs/dbraw/zinc/15/19/45/655151945.db2.gz SYCUFKWLJFMVHM-CMPLNLGQSA-N 1 0 379.448 2.833 20 0 GFADRO CC(C)c1nn(C)c(Cl)c1C[NH2+]CC1CCN(S(=O)(=O)C(F)F)CC1 ZINC000171841633 655154421 /nfs/dbraw/zinc/15/44/21/655154421.db2.gz PMUXGGNMGTWOOJ-UHFFFAOYSA-N 1 0 398.907 2.551 20 0 GFADRO C[C@@H]1CCC[N@H+](CCNS(=O)(=O)Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000111329038 655168801 /nfs/dbraw/zinc/16/88/01/655168801.db2.gz IFSDPMOFCDVPQB-CYBMUJFWSA-N 1 0 380.432 2.737 20 0 GFADRO CCC[N@H+](C)C[C@H]1CCN(CN2c3ccc(Br)cc3C(=O)C2=O)C1 ZINC000173445034 655172743 /nfs/dbraw/zinc/17/27/43/655172743.db2.gz FYRWOLITBYVCRO-CYBMUJFWSA-N 1 0 394.313 2.600 20 0 GFADRO Cc1cc(Br)ccc1CNC(=O)N[C@H](C)[C@H](C)N1CCOCC1 ZINC000111858484 655178238 /nfs/dbraw/zinc/17/82/38/655178238.db2.gz QLKIATPQDWUXNG-KGLIPLIRSA-N 1 0 384.318 2.666 20 0 GFADRO C[C@@H]1C[C@@H](N(C)C(=O)COc2ccc(C=O)cc2Br)CC[N@@H+]1C ZINC000173748216 655179453 /nfs/dbraw/zinc/17/94/53/655179453.db2.gz WCTHOWMXKYYTTN-OCCSQVGLSA-N 1 0 383.286 2.582 20 0 GFADRO CC[N@H+](C)C[C@@H]1CCN(CC(=O)Nc2c(F)cc(F)cc2Br)C1 ZINC000173911132 655184928 /nfs/dbraw/zinc/18/49/28/655184928.db2.gz ORQQLONGJDYTNB-NSHDSACASA-N 1 0 390.272 2.939 20 0 GFADRO C[NH+]1CCC(C(=O)N2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)CC1 ZINC000173943192 655187336 /nfs/dbraw/zinc/18/73/36/655187336.db2.gz GOKPVYUTIOGMKN-UHFFFAOYSA-N 1 0 384.307 2.620 20 0 GFADRO O=S(=O)(Cc1ccc(Br)cc1)N1CCC([NH+]2CCCC2)CC1 ZINC000174004284 655189783 /nfs/dbraw/zinc/18/97/83/655189783.db2.gz MXZMSDRIASTRKD-UHFFFAOYSA-N 1 0 387.343 2.839 20 0 GFADRO Cc1nn(CN2CCC(OCC[NH+]3CCCC3)CC2)c(C)c1Br ZINC000174101552 655192326 /nfs/dbraw/zinc/19/23/26/655192326.db2.gz HDZBYXCHWGGKNB-UHFFFAOYSA-N 1 0 385.350 2.797 20 0 GFADRO NC(=O)[C@@H]1C[N@H+](C[C@H](O)c2ccc(Br)cc2)C[C@H]1c1ccccc1 ZINC000839640766 661097948 /nfs/dbraw/zinc/09/79/48/661097948.db2.gz MCEOIKKCFXLSII-KSZLIROESA-N 1 0 389.293 2.683 20 0 GFADRO O=C(Nc1ccccc1I)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000174235090 655194493 /nfs/dbraw/zinc/19/44/93/655194493.db2.gz PLNYDBKFUURHKK-LBPRGKRZSA-N 1 0 383.233 2.769 20 0 GFADRO CC(=O)N(C)C1CC[NH+](CCC(=O)Nc2cccc(Br)c2)CC1 ZINC000112661445 655194787 /nfs/dbraw/zinc/19/47/87/655194787.db2.gz BSMIIXDFBSXZBD-UHFFFAOYSA-N 1 0 382.302 2.720 20 0 GFADRO C[C@](O)(C[NH2+][C@@H](CO)[C@@H]1CCCOC1)c1ccc(Br)cc1Cl ZINC000839650105 661098666 /nfs/dbraw/zinc/09/86/66/661098666.db2.gz INQBLTVIMWZLIW-RLCCDNCMSA-N 1 0 392.721 2.687 20 0 GFADRO Brc1ccc2ncnc(N3CCC[C@@H](C[NH+]4CCOCC4)C3)c2c1 ZINC000112967306 655200864 /nfs/dbraw/zinc/20/08/64/655200864.db2.gz ZMNQALPAJDXHFQ-AWEZNQCLSA-N 1 0 391.313 2.941 20 0 GFADRO Cn1c(C[NH2+]CCNC(=O)c2cccc(Br)c2)nc2ccccc21 ZINC000113354434 655208248 /nfs/dbraw/zinc/20/82/48/655208248.db2.gz KQDVEPZZCBEIEM-UHFFFAOYSA-N 1 0 387.281 2.855 20 0 GFADRO CCS[C@@H]1CC[C@@H]([N@H+](C)CC(=O)Nc2sc3c(c2C(N)=O)CCC3)C1 ZINC000839497374 661087628 /nfs/dbraw/zinc/08/76/28/661087628.db2.gz BOPNUPMYCAOSDU-VXGBXAGGSA-N 1 0 381.567 2.880 20 0 GFADRO C[NH+](C)C[C@H]1CCN(C(=O)c2cc(Cl)ccc2I)C1 ZINC000113458130 655210977 /nfs/dbraw/zinc/21/09/77/655210977.db2.gz MFHYVHBWXCUSBC-SNVBAGLBSA-N 1 0 392.668 2.968 20 0 GFADRO CS[C@@H]1CN(C[C@@H](O)COCc2ccccc2Cl)C[C@H]1[NH+]1CCCC1 ZINC000275038489 655212819 /nfs/dbraw/zinc/21/28/19/655212819.db2.gz GPTSNWIOYHXCHC-BHIYHBOVSA-N 1 0 384.973 2.729 20 0 GFADRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)Nc1cccc(Br)c1 ZINC000113646359 655213090 /nfs/dbraw/zinc/21/30/90/655213090.db2.gz CXZKXQDTZAQAKP-HNNXBMFYSA-N 1 0 382.302 2.768 20 0 GFADRO CSC[C@H]1CCC[N@@H+]1CCC(=O)Nc1sc2c(c1C(N)=O)CCCC2 ZINC000839508067 661088868 /nfs/dbraw/zinc/08/88/68/661088868.db2.gz OQAVJJDDTBSBCU-GFCCVEGCSA-N 1 0 381.567 2.882 20 0 GFADRO O=C(CC[N@H+]1CC[C@H](C(=O)NCC(F)(F)F)C1)Nc1ccc(Cl)cc1 ZINC000275119815 655217824 /nfs/dbraw/zinc/21/78/24/655217824.db2.gz PGGOWOMJCOGQFA-NSHDSACASA-N 1 0 377.794 2.669 20 0 GFADRO O=C([C@H]1C[C@H]1c1ccc(Br)cc1)N1CC[NH+](C2CCOCC2)CC1 ZINC000175837253 655227946 /nfs/dbraw/zinc/22/79/46/655227946.db2.gz ZQUQGLMWTCCDRT-ROUUACIJSA-N 1 0 393.325 2.876 20 0 GFADRO C[C@H](Oc1ccc(Br)cc1)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000175838935 655227980 /nfs/dbraw/zinc/22/79/80/655227980.db2.gz ULCVYYLHIFRWRM-AWEZNQCLSA-N 1 0 397.313 2.540 20 0 GFADRO C[C@@H](CNC(=O)N1CCC[C@@H]([NH+](C)C)C1)Oc1ccccc1Br ZINC000175976934 655230658 /nfs/dbraw/zinc/23/06/58/655230658.db2.gz VKXPVXCEFFMVMN-UONOGXRCSA-N 1 0 384.318 2.952 20 0 GFADRO C[C@H](CNC(=O)N1CC[C@@H](C[NH+](C)C)C1)Oc1cccc(Br)c1 ZINC000275364355 655232162 /nfs/dbraw/zinc/23/21/62/655232162.db2.gz XVBMBSLGNWZDJB-KGLIPLIRSA-N 1 0 384.318 2.810 20 0 GFADRO CC(C)[NH+](CCNC(=O)C(=O)Nc1c(F)cccc1Br)C(C)C ZINC000176070434 655233507 /nfs/dbraw/zinc/23/35/07/655233507.db2.gz CRJLNYMBBPBUAU-UHFFFAOYSA-N 1 0 388.281 2.762 20 0 GFADRO C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)Nc1c(F)cccc1Br ZINC000176074028 655233986 /nfs/dbraw/zinc/23/39/86/655233986.db2.gz TVLFACWKWNQRFN-NSHDSACASA-N 1 0 386.265 2.517 20 0 GFADRO C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000115432717 655237335 /nfs/dbraw/zinc/23/73/35/655237335.db2.gz LLOAEMKTGTZSSZ-STQMWFEESA-N 1 0 386.323 2.912 20 0 GFADRO C[NH+](C)CCn1ccc(NC(=O)CSCC(=O)c2ccc(Cl)cc2)n1 ZINC000176156261 655237691 /nfs/dbraw/zinc/23/76/91/655237691.db2.gz ODUZSUVDFBECGB-UHFFFAOYSA-N 1 0 380.901 2.653 20 0 GFADRO O=C(NC[C@@H](O)c1ccc(Cl)c(F)c1)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000839716474 661102032 /nfs/dbraw/zinc/10/20/32/661102032.db2.gz PFTMBCZAVBEJDB-WMLDXEAASA-N 1 0 386.920 2.846 20 0 GFADRO Cn1cncc1[C@H]1C[C@@H]([NH2+]Cc2cnc3ccc(Br)cn23)CCO1 ZINC000275620708 655244361 /nfs/dbraw/zinc/24/43/61/655244361.db2.gz ROIGYDIGYZWJHG-XJKSGUPXSA-N 1 0 390.285 2.840 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000275629229 655244694 /nfs/dbraw/zinc/24/46/94/655244694.db2.gz BUKGQUNVTOEPOX-CYBMUJFWSA-N 1 0 396.329 2.750 20 0 GFADRO CCO[C@@H]1C[C@@]([NH3+])(C(=O)NC[C@@H](C)Oc2ccc(Br)cc2)C1(C)C ZINC000275690714 655247084 /nfs/dbraw/zinc/24/70/84/655247084.db2.gz DKCAVRZLJTULHL-CDHAZOANSA-N 1 0 399.329 2.865 20 0 GFADRO CS[C@H]1CN(C(=O)c2nc(Br)cs2)C[C@H]1[NH+]1CCCC1 ZINC000275706936 655247776 /nfs/dbraw/zinc/24/77/76/655247776.db2.gz QPSHCOSUVNHUNV-ZJUUUORDSA-N 1 0 376.345 2.557 20 0 GFADRO C[NH+](C)[C@]1(CNC(=O)c2cc(Br)ncc2Cl)CCSC1 ZINC000275727417 655248640 /nfs/dbraw/zinc/24/86/40/655248640.db2.gz SGGRTJVXLSLMMR-ZDUSSCGKSA-N 1 0 378.723 2.665 20 0 GFADRO O=C(N[C@@H]1CCc2cc(Br)ccc21)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000275762513 655250059 /nfs/dbraw/zinc/25/00/59/655250059.db2.gz XASGNANTGYGSCY-GOEBONIOSA-N 1 0 389.297 2.987 20 0 GFADRO Cn1ccnc1Sc1ncc(C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)cc1Cl ZINC000116613337 655250366 /nfs/dbraw/zinc/25/03/66/655250366.db2.gz AQCQERMLEXMWAR-GFCCVEGCSA-N 1 0 377.901 2.586 20 0 GFADRO C[C@@H](C(=O)Nc1ccc(Br)cc1)[N@@H+]1CCC[C@H](C2OCCO2)C1 ZINC000116645914 655250850 /nfs/dbraw/zinc/25/08/50/655250850.db2.gz KDJGZXDHZIGFRC-STQMWFEESA-N 1 0 383.286 2.861 20 0 GFADRO O=C(NCC1(C[NH+]2CCOCC2)CCCCC1)c1ccnc(Br)c1 ZINC000176744323 655254604 /nfs/dbraw/zinc/25/46/04/655254604.db2.gz XTXDXULDWHSJTC-UHFFFAOYSA-N 1 0 396.329 2.857 20 0 GFADRO NC(=O)[C@@H]1CCCN1CCC[NH2+][C@H](c1ccc(Br)s1)C1CC1 ZINC000275973725 655256993 /nfs/dbraw/zinc/25/69/93/655256993.db2.gz XHYDXHNNEWWELL-WFASDCNBSA-N 1 0 386.359 2.891 20 0 GFADRO CS(=O)(=O)CCC[NH2+][C@H](c1cccc(Br)c1)C1CCOCC1 ZINC000276176018 655265914 /nfs/dbraw/zinc/26/59/14/655265914.db2.gz UFOUFPTWLKJSBD-INIZCTEOSA-N 1 0 390.343 2.941 20 0 GFADRO O=C(CC[N@@H+]1CCSC[C@@H]1c1ccccc1)NC(=O)NCC(F)(F)F ZINC000177080022 655267491 /nfs/dbraw/zinc/26/74/91/655267491.db2.gz ZVNGDFBPMUJXSL-CYBMUJFWSA-N 1 0 375.416 2.555 20 0 GFADRO CC[N@@H+]1CC[C@@H](CNC(=O)c2nn(-c3ccc(F)cc3)cc2Br)C1 ZINC000117762262 655267659 /nfs/dbraw/zinc/26/76/59/655267659.db2.gz ZOUPHRUSJIYDQL-LBPRGKRZSA-N 1 0 395.276 2.846 20 0 GFADRO COc1cc(NC(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)ccc1Br ZINC000177093898 655268333 /nfs/dbraw/zinc/26/83/33/655268333.db2.gz FBVIHFFYQHXPJN-ZDUSSCGKSA-N 1 0 398.301 2.644 20 0 GFADRO COCCOCCOCC[N@H+](C)Cc1cccc(Br)c1OC ZINC000276257551 655269068 /nfs/dbraw/zinc/26/90/68/655269068.db2.gz WHOAZGIEDDLSCI-UHFFFAOYSA-N 1 0 376.291 2.569 20 0 GFADRO C[C@H]([NH2+]CCOCC(F)(F)C(F)F)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000276281054 655270046 /nfs/dbraw/zinc/27/00/46/655270046.db2.gz UHIHSYAVDJERSG-NSHDSACASA-N 1 0 386.411 2.505 20 0 GFADRO C[NH+](C)CCNC(=O)C(=O)Nc1ccccc1SC[C@H]1CC1(Cl)Cl ZINC000118093678 655271601 /nfs/dbraw/zinc/27/16/01/655271601.db2.gz MHIAAFPBVRGRBM-LLVKDONJSA-N 1 0 390.336 2.589 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)C(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000118112632 655271865 /nfs/dbraw/zinc/27/18/65/655271865.db2.gz KGAPHRKROGNGNI-AWEZNQCLSA-N 1 0 396.329 2.933 20 0 GFADRO Cc1c(Br)cccc1NC(=O)C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000118132305 655272357 /nfs/dbraw/zinc/27/23/57/655272357.db2.gz SZBRINNGEGFWOA-UHFFFAOYSA-N 1 0 382.302 2.687 20 0 GFADRO C[N@@H+]1CCC[C@@H](CNC(=O)Nc2ccc(F)cc2I)C1 ZINC000177283159 655273184 /nfs/dbraw/zinc/27/31/84/655273184.db2.gz QAHGTUPICVVACO-JTQLQIEISA-N 1 0 391.228 2.894 20 0 GFADRO Cn1cc([C@@H]2CSCCN2C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)cn1 ZINC000276693957 655284128 /nfs/dbraw/zinc/28/41/28/655284128.db2.gz VSXJPSVHPOYNBT-HOTGVXAUSA-N 1 0 379.555 2.584 20 0 GFADRO C[C@@H](C(=O)N1CC[NH+](C2CCOCC2)CC1)c1ccc(Br)cc1 ZINC000118981178 655285513 /nfs/dbraw/zinc/28/55/13/655285513.db2.gz IKKPBRBXDIAOHY-CQSZACIVSA-N 1 0 381.314 2.876 20 0 GFADRO C[C@H](Cc1ccc(Br)cc1)[NH2+]C[C@@H]1CCn2ncc(C(N)=O)c2C1 ZINC000276750643 655286021 /nfs/dbraw/zinc/28/60/21/655286021.db2.gz KXFLDXQQRMOAJK-TZMCWYRMSA-N 1 0 391.313 2.528 20 0 GFADRO C[C@]1(C(=O)N2CCN(C(=O)c3c(Cl)cccc3Cl)CC2)CCC[NH2+]C1 ZINC000118992419 655286087 /nfs/dbraw/zinc/28/60/87/655286087.db2.gz XFEGEAFIIZCUEN-SFHVURJKSA-N 1 0 384.307 2.668 20 0 GFADRO C[N@@H+](Cc1cc(Br)ccc1F)C[C@H](O)COC1CCOCC1 ZINC000119097506 655289835 /nfs/dbraw/zinc/28/98/35/655289835.db2.gz GFDXCKJQYDMNNE-AWEZNQCLSA-N 1 0 376.266 2.577 20 0 GFADRO O=C(NCCOc1ncc(Cl)cc1Cl)NC1CC[NH+](CC2CC2)CC1 ZINC000177926330 655291851 /nfs/dbraw/zinc/29/18/51/655291851.db2.gz QOPIJCHNZZWVHM-UHFFFAOYSA-N 1 0 387.311 2.941 20 0 GFADRO CN(C1CC[NH+](C)CC1)S(=O)(=O)c1cccc(Cl)c1Br ZINC000276917515 655292952 /nfs/dbraw/zinc/29/29/52/655292952.db2.gz OKXHCDSGROQWRH-UHFFFAOYSA-N 1 0 381.723 2.817 20 0 GFADRO C[C@@H](Cn1cc(Br)cn1)[NH2+]Cc1cccc(CN2CCCC2=O)c1 ZINC000177994023 655294380 /nfs/dbraw/zinc/29/43/80/655294380.db2.gz XSVGWVDUTVSFTM-AWEZNQCLSA-N 1 0 391.313 2.946 20 0 GFADRO CN(Cc1c(F)cccc1Cl)S(=O)(=O)N1CCC[C@H]([NH+](C)C)CC1 ZINC000276970728 655295710 /nfs/dbraw/zinc/29/57/10/655295710.db2.gz FVOQKPRBASPOSJ-ZDUSSCGKSA-N 1 0 377.913 2.572 20 0 GFADRO COC(=O)c1cc(C[NH2+]C[C@@H](CO)Cc2ccccc2Br)c[nH]1 ZINC000276973321 655295930 /nfs/dbraw/zinc/29/59/30/655295930.db2.gz FSSSCNJXBJIZBA-ZDUSSCGKSA-N 1 0 381.270 2.505 20 0 GFADRO Cc1nc2c(s1)[C@@H]([NH2+]CC1CCN(S(=O)(=O)C(F)(F)F)CC1)CCC2 ZINC000178109186 655298026 /nfs/dbraw/zinc/29/80/26/655298026.db2.gz DAPJSTRUDLQJAL-LBPRGKRZSA-N 1 0 397.488 2.980 20 0 GFADRO C[NH+](C)CCNC(=O)C1CCN(C(=O)c2c(Cl)cc(F)cc2Cl)CC1 ZINC000277207180 655307855 /nfs/dbraw/zinc/30/78/55/655307855.db2.gz HRNHHBWLIYYSSP-UHFFFAOYSA-N 1 0 390.286 2.663 20 0 GFADRO O=S(=O)(Cc1ccc(Br)cc1)NCC[NH+]1CCCCCC1 ZINC000119592334 655308311 /nfs/dbraw/zinc/30/83/11/655308311.db2.gz ULVKIEJLHMHHEZ-UHFFFAOYSA-N 1 0 375.332 2.745 20 0 GFADRO O=C(CC[N@@H+]1CCC[C@H](Cn2ccnn2)C1)Nc1ccccc1Br ZINC000119629680 655309171 /nfs/dbraw/zinc/30/91/71/655309171.db2.gz VURVHTIGVHUVHG-AWEZNQCLSA-N 1 0 392.301 2.781 20 0 GFADRO C[C@H]1C[N@H+](CCCNC(=O)N(C)Cc2ccc(Br)o2)CCCO1 ZINC000277325381 655313119 /nfs/dbraw/zinc/31/31/19/655313119.db2.gz CMUVCWPWURJCFO-ZDUSSCGKSA-N 1 0 388.306 2.684 20 0 GFADRO COc1cc[nH+]c(N2CCN(C(=O)Nc3cccnc3Br)CC2)c1 ZINC000119738544 655313165 /nfs/dbraw/zinc/31/31/65/655313165.db2.gz YYAKVWUGJUWAGY-UHFFFAOYSA-N 1 0 392.257 2.602 20 0 GFADRO C[NH+](C)C1(C(=O)Nc2cc(F)c(I)c(F)c2)CCC1 ZINC000119745902 655313533 /nfs/dbraw/zinc/31/35/33/655313533.db2.gz JZPRQQNCTMWMAZ-UHFFFAOYSA-N 1 0 380.176 2.992 20 0 GFADRO C[NH+](C)[C@@H]1CCCN(C(=O)c2ccc(F)c(I)c2)CC1 ZINC000277400483 655317096 /nfs/dbraw/zinc/31/70/96/655317096.db2.gz YIMRLSCQYUHFON-GFCCVEGCSA-N 1 0 390.240 2.987 20 0 GFADRO O=C(c1ccncc1I)N1CCC[C@H]([NH+]2CCCCC2)C1 ZINC000119842695 655318167 /nfs/dbraw/zinc/31/81/67/655318167.db2.gz HTEMYUKLWDDZRW-ZDUSSCGKSA-N 1 0 399.276 2.777 20 0 GFADRO Cc1c(Br)cc(C(=O)NC2CC[NH+](C3CCCC3)CC2)c(=O)n1C ZINC000277432384 655319213 /nfs/dbraw/zinc/31/92/13/655319213.db2.gz MLUQDXWKFLRFRX-UHFFFAOYSA-N 1 0 396.329 2.593 20 0 GFADRO O=C(Nc1ccccc1Br)C1CC[NH+]([C@@H]2CCCCNC2=O)CC1 ZINC000119892387 655319887 /nfs/dbraw/zinc/31/98/87/655319887.db2.gz SVOKOAKRDPGAQZ-MRXNPFEDSA-N 1 0 394.313 2.768 20 0 GFADRO COc1cc(Br)c(NC(=O)c2cc([C@H]3CC[NH2+]C3)[nH]n2)cc1OC ZINC000278912080 655326913 /nfs/dbraw/zinc/32/69/13/655326913.db2.gz CFLICSDWJQEGAJ-VIFPVBQESA-N 1 0 395.257 2.519 20 0 GFADRO C[NH+](C)CCC(=O)Nc1ccc(NC(=O)c2cccc(Br)n2)cc1 ZINC000180473910 655327111 /nfs/dbraw/zinc/32/71/11/655327111.db2.gz WMRPMJAIUHKTPC-UHFFFAOYSA-N 1 0 391.269 2.987 20 0 GFADRO C[C@H]1C[C@@H](C(=O)NCCC(=O)Nc2ccc(Br)cc2)CC[N@@H+]1C ZINC000279169262 655327424 /nfs/dbraw/zinc/32/74/24/655327424.db2.gz GVGDGIZQUGARFN-STQMWFEESA-N 1 0 382.302 2.624 20 0 GFADRO Cc1ccc(S(=O)(=O)N2CCC([NH2+]C[C@H](C)c3nccs3)CC2)cc1 ZINC000120587799 655339800 /nfs/dbraw/zinc/33/98/00/655339800.db2.gz GIDBPIKSSQRGKN-HNNXBMFYSA-N 1 0 379.551 2.998 20 0 GFADRO C[NH+](C)CC(C)(C)CNC(=O)CNC(=O)c1sc2ccccc2c1Cl ZINC000120659196 655341566 /nfs/dbraw/zinc/34/15/66/655341566.db2.gz MQIDCUIFFBYIBS-UHFFFAOYSA-N 1 0 381.929 2.989 20 0 GFADRO CCCCO[C@@H]1C[C@H]([NH2+]CC2CCN(S(=O)(=O)C(F)F)CC2)C1(C)C ZINC000181953888 655341679 /nfs/dbraw/zinc/34/16/79/655341679.db2.gz UNHLQYQSJDIJTK-LSDHHAIUSA-N 1 0 382.517 2.824 20 0 GFADRO COc1ccc(C(=O)NC[C@@H](c2cccs2)[NH+](C)C)nc1Br ZINC000182615438 655345711 /nfs/dbraw/zinc/34/57/11/655345711.db2.gz XALAJJOWUSYPBV-NSHDSACASA-N 1 0 384.299 2.947 20 0 GFADRO CCS(=O)(=O)C[C@H](C)[NH2+][C@@H](CNC(=O)OC(C)(C)C)C1CCCCC1 ZINC000182951186 655348476 /nfs/dbraw/zinc/34/84/76/655348476.db2.gz SOMRSUAQUBNLBK-HOCLYGCPSA-N 1 0 376.563 2.873 20 0 GFADRO Cn1nccc1N1CCC[C@@H]([NH2+]Cc2cn3ccc(Br)cc3n2)C1 ZINC000289442957 655349350 /nfs/dbraw/zinc/34/93/50/655349350.db2.gz GDGAKEUBBCJURD-CQSZACIVSA-N 1 0 389.301 2.589 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)C1(O)CCSCC1)c1cccc(C(F)(F)F)c1 ZINC000183892598 655354309 /nfs/dbraw/zinc/35/43/09/655354309.db2.gz NDZDHDSKVHGOTE-AWEZNQCLSA-N 1 0 376.444 2.682 20 0 GFADRO S=c1n2cc(Br)ccc2nn1CN1CC[C@H]([NH+]2CC=CC2)C1 ZINC000840013470 661124754 /nfs/dbraw/zinc/12/47/54/661124754.db2.gz XXPRSIUGIHAFFP-ZDUSSCGKSA-N 1 0 380.315 2.531 20 0 GFADRO O=S(=O)(/C=C/c1cccc(Cl)c1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000184154157 655355447 /nfs/dbraw/zinc/35/54/47/655355447.db2.gz WLDAUFKRMCYQLH-AWNIVKPZSA-N 1 0 384.929 2.685 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+]CCCc1cnn(C)n1 ZINC000292944635 655357667 /nfs/dbraw/zinc/35/76/67/655357667.db2.gz KCKKKAWDGIFHQO-UHFFFAOYSA-N 1 0 389.301 2.794 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@@H](Nc2cnn(-c3ccccn3)c(=O)c2Br)C1 ZINC000292947116 655357677 /nfs/dbraw/zinc/35/76/77/655357677.db2.gz BRVDKKBPQPMQAH-CHWSQXEVSA-N 1 0 392.301 2.675 20 0 GFADRO O=C1[C@H](c2cccc(Br)c2)CCN1C[N@@H+]1CC[C@@]2(CCOC2)C1 ZINC000840027296 661125568 /nfs/dbraw/zinc/12/55/68/661125568.db2.gz YEHOVMBDTRDBJM-FUHWJXTLSA-N 1 0 379.298 2.835 20 0 GFADRO CS(=O)(=O)c1cccc(Br)c1N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000293010938 655358425 /nfs/dbraw/zinc/35/84/25/655358425.db2.gz IGVDQSKUCKDPIO-ZDUSSCGKSA-N 1 0 387.343 2.775 20 0 GFADRO COc1cc(C[NH2+]C2CCC(CS(C)(=O)=O)CC2)ccc1OC(F)F ZINC000293649334 655360922 /nfs/dbraw/zinc/36/09/22/655360922.db2.gz IMPHEFDVKAQQJA-UHFFFAOYSA-N 1 0 377.453 2.990 20 0 GFADRO CC[NH+]1CCN(CCC[NH2+][C@@H](C)c2cc(Br)cc(F)c2[O-])CC1 ZINC000185013982 655361760 /nfs/dbraw/zinc/36/17/60/655361760.db2.gz NPONHJRRBCOTRP-ZDUSSCGKSA-N 1 0 388.325 2.972 20 0 GFADRO C[C@]([NH3+])(C(=O)NC[C@H](CCO)c1ccccc1)c1ccc(Br)cc1 ZINC000293975223 655363667 /nfs/dbraw/zinc/36/36/67/655363667.db2.gz BHAAZRXQNFCJDC-HNAYVOBHSA-N 1 0 391.309 2.905 20 0 GFADRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)CCOc1ccc(Cl)cc1Br ZINC000186723771 655371118 /nfs/dbraw/zinc/37/11/18/655371118.db2.gz GCZUBHOKRGZQRN-GXFFZTMASA-N 1 0 375.694 2.986 20 0 GFADRO CCc1sc(C(=O)N(CC[NH+](CC)CC)[C@H]2CCS(=O)(=O)C2)cc1C ZINC000299614593 655377244 /nfs/dbraw/zinc/37/72/44/655377244.db2.gz IFNYXYNAWIJKQD-HNNXBMFYSA-N 1 0 386.583 2.590 20 0 GFADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000303187060 655377978 /nfs/dbraw/zinc/37/79/78/655377978.db2.gz YJRMSRGWKJXUCZ-BETUJISGSA-N 1 0 389.905 2.895 20 0 GFADRO Cn1ncc(Br)c1C[NH2+][C@@](C)(CNC(=O)OC(C)(C)C)C1CC1 ZINC000309980283 655379016 /nfs/dbraw/zinc/37/90/16/655379016.db2.gz UOZVTYDSBXOQJS-INIZCTEOSA-N 1 0 387.322 2.966 20 0 GFADRO CCOC(=O)N1CCC([NH2+]C[C@H](O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000327081421 655385739 /nfs/dbraw/zinc/38/57/39/655385739.db2.gz GIJUNSHEILVAPI-ZDUSSCGKSA-N 1 0 391.295 2.944 20 0 GFADRO CCC(CC)[C@@H](CNS(=O)(=O)c1cc([N+](=O)[O-])c(F)cc1C)[NH+](C)C ZINC000327150016 655385924 /nfs/dbraw/zinc/38/59/24/655385924.db2.gz FINQHMUOUWPSPQ-OAHLLOKOSA-N 1 0 375.466 2.687 20 0 GFADRO Cc1cc(C(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)nn1-c1ccc(Br)cc1 ZINC000365241792 655392683 /nfs/dbraw/zinc/39/26/83/655392683.db2.gz CYGOTVYFSPULOD-GUYCJALGSA-N 1 0 389.297 2.767 20 0 GFADRO CN(C)C(=O)[C@@H]1CC[C@@H](C[NH2+]C2CC(c3cccc(Br)c3)C2)O1 ZINC000365314709 655393247 /nfs/dbraw/zinc/39/32/47/655393247.db2.gz CNIMGVKGKFVSQT-KMZOKZLKSA-N 1 0 381.314 2.921 20 0 GFADRO C[NH+]1CCC(CC(=O)N2CCC(Cn3cc(Br)cn3)CC2)CC1 ZINC000365892598 655395957 /nfs/dbraw/zinc/39/59/57/655395957.db2.gz VHCBIVLKQRZMHG-UHFFFAOYSA-N 1 0 383.334 2.616 20 0 GFADRO C[C@@H](Oc1cccc(Br)c1)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000366197423 655399815 /nfs/dbraw/zinc/39/98/15/655399815.db2.gz SBWFOURCRMRKOP-CZUORRHYSA-N 1 0 397.313 2.586 20 0 GFADRO CC(C)(O)C[N@@H+]1CCCN(C(=O)[C@H]2C[C@H]2c2ccc(Br)cc2)CC1 ZINC000366686504 655400682 /nfs/dbraw/zinc/40/06/82/655400682.db2.gz MFDPJMRKSKOKQE-IRXDYDNUSA-N 1 0 395.341 2.858 20 0 GFADRO COCC[N@@H+]1CCC[C@H](NC(=O)c2ccc(Cl)c(Br)c2)C1 ZINC000398937958 655402514 /nfs/dbraw/zinc/40/25/14/655402514.db2.gz WKAOYYDLMGAQGM-LBPRGKRZSA-N 1 0 375.694 2.943 20 0 GFADRO COCC[N@@H+]1CCC[C@H](NC(=O)c2ccc(Br)c(Cl)c2)C1 ZINC000398885727 655402605 /nfs/dbraw/zinc/40/26/05/655402605.db2.gz GEISKZIYLSRRKB-LBPRGKRZSA-N 1 0 375.694 2.943 20 0 GFADRO O=C(NCC[C@@H]1CC[NH2+]C1)N[C@H](CO)c1ccc(Cl)cc1C(F)(F)F ZINC000418331210 655405601 /nfs/dbraw/zinc/40/56/01/655405601.db2.gz DKFHZJJQAQHJBN-IINYFYTJSA-N 1 0 379.810 2.691 20 0 GFADRO CC(C)(COc1ncc(Cl)cc1Cl)NC(=O)NCC[C@H]1CC[NH2+]C1 ZINC000418329049 655405608 /nfs/dbraw/zinc/40/56/08/655405608.db2.gz ALXOXVATKZCDGV-LLVKDONJSA-N 1 0 375.300 2.845 20 0 GFADRO C[C@H](NC(=O)N1CCN(c2cccc(Br)c2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000418350847 655405718 /nfs/dbraw/zinc/40/57/18/655405718.db2.gz SWGMGCJXDYVKLW-LSDHHAIUSA-N 1 0 395.345 2.669 20 0 GFADRO CN(CCOc1ccc(Br)cc1)C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000418352276 655405728 /nfs/dbraw/zinc/40/57/28/655405728.db2.gz SRPKEZWTISMHAN-CQSZACIVSA-N 1 0 384.318 2.859 20 0 GFADRO C[C@@H]1CN(C(=O)N[C@@H]2COc3c2ccc(Cl)c3Cl)[C@@H](C)C[N@@H+]1CCO ZINC000419461734 655406461 /nfs/dbraw/zinc/40/64/61/655406461.db2.gz IBXJOMMEDJRIGW-UHIISALHSA-N 1 0 388.295 2.523 20 0 GFADRO C[C@H](NC(=O)N1C[C@H](C)[N@H+](CCO)C[C@@H]1C)c1ccc(Br)s1 ZINC000419496029 655406963 /nfs/dbraw/zinc/40/69/63/655406963.db2.gz SWSCJIRVQWSGLB-SRVKXCTJSA-N 1 0 390.347 2.668 20 0 GFADRO Cc1ccc(F)c(Br)c1NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000453713418 655412215 /nfs/dbraw/zinc/41/22/15/655412215.db2.gz OEVZCQPHGKGYEJ-LBPRGKRZSA-N 1 0 398.276 2.530 20 0 GFADRO C[C@H](CNC(=O)c1ccc(I)c(O)c1)[NH+]1CCCCC1 ZINC000230889664 655423558 /nfs/dbraw/zinc/42/35/58/655423558.db2.gz VTMJZIKJBLMTKI-LLVKDONJSA-N 1 0 388.249 2.601 20 0 GFADRO O=C(NC[C@@H]1CCC[NH2+]C1)c1ccc(Br)cc1Br ZINC000232484793 655423746 /nfs/dbraw/zinc/42/37/46/655423746.db2.gz SFEOVQPEIWUEBA-SECBINFHSA-N 1 0 376.092 2.941 20 0 GFADRO COc1ccc(C[NH2+][C@@H]2CCO[C@H](c3ccnn3C)C2)c(Br)c1O ZINC000562672185 655423862 /nfs/dbraw/zinc/42/38/62/655423862.db2.gz OSLXEQTYDZGFIA-DOMZBBRYSA-N 1 0 396.285 2.907 20 0 GFADRO C[C@@H]1CN(C(=O)NCCNc2ncc(C(F)(F)F)cc2Cl)CC[C@@H]1[NH3+] ZINC000566057834 655424384 /nfs/dbraw/zinc/42/43/84/655424384.db2.gz ZHHDDOIKVYFMPG-SKDRFNHKSA-N 1 0 379.814 2.544 20 0 GFADRO C[C@H]1CCN(S(=O)(=O)c2ccc(Cl)c(Br)c2)C[C@@H]1C[NH3+] ZINC000235635744 655424410 /nfs/dbraw/zinc/42/44/10/655424410.db2.gz PSRHONVSCRDNCR-UWVGGRQHSA-N 1 0 381.723 2.708 20 0 GFADRO C[C@@H]([NH3+])[C@H](C)C(=O)N(CCn1ccnc1)Cc1ccccc1Br ZINC000566067319 655424645 /nfs/dbraw/zinc/42/46/45/655424645.db2.gz VGFDSTVPLHMXCS-UONOGXRCSA-N 1 0 379.302 2.658 20 0 GFADRO [NH3+][C@H]1CCC[C@@H](CNS(=O)(=O)c2ccc(Cl)cc2Br)C1 ZINC000574202591 655426362 /nfs/dbraw/zinc/42/63/62/655426362.db2.gz NKQLWOQKNSUKPN-KOLCDFICSA-N 1 0 381.723 2.898 20 0 GFADRO CC(C)n1cc(S(=O)(=O)NC[C@H](C[NH+](C)C)c2ccc(Cl)cc2)cn1 ZINC000574211108 655426478 /nfs/dbraw/zinc/42/64/78/655426478.db2.gz JFWCJBFZFUJKTC-OAHLLOKOSA-N 1 0 384.933 2.741 20 0 GFADRO [NH3+]CCCCCCC(=O)NCCc1ccc(I)s1 ZINC000237985899 655426842 /nfs/dbraw/zinc/42/68/42/655426842.db2.gz AXGZFVNGFOVHDY-UHFFFAOYSA-N 1 0 380.295 2.921 20 0 GFADRO COc1c(Cl)cc(NC(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)cc1Cl ZINC000574269796 655427627 /nfs/dbraw/zinc/42/76/27/655427627.db2.gz XIOUWMUGVOHUBO-SMDDNHRTSA-N 1 0 384.267 2.694 20 0 GFADRO COCCN(CC[NH+](C)C)Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000574365601 655429821 /nfs/dbraw/zinc/42/98/21/655429821.db2.gz DNGIJARQWDLRFE-UHFFFAOYSA-N 1 0 381.318 2.645 20 0 GFADRO CO[C@@H]1CCN(Cc2cc(Br)ccc2OC(F)F)[C@@H](C[NH3+])C1 ZINC000574813051 655431227 /nfs/dbraw/zinc/43/12/27/655431227.db2.gz NVLXNLJKNGEXAD-CHWSQXEVSA-N 1 0 379.245 2.989 20 0 GFADRO C[C@@H]1CN(C(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)CC[S@@](=O)C1 ZINC000574855768 655432133 /nfs/dbraw/zinc/43/21/33/655432133.db2.gz UEAXIBDMZOQYCB-VGVFXLANSA-N 1 0 383.583 2.541 20 0 GFADRO O=C1[C@H]([N@@H+]2CCC[C@@H](C3OCCO3)C2)CCN1c1cccc(Br)c1 ZINC000249308715 655434053 /nfs/dbraw/zinc/43/40/53/655434053.db2.gz NMMDZWRSEMUCQT-CZUORRHYSA-N 1 0 395.297 2.639 20 0 GFADRO CC(=O)N1CCC[C@H](C[NH2+]C[C@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000575117276 655435960 /nfs/dbraw/zinc/43/59/60/655435960.db2.gz DCVQMJAJUUAWEN-HIFRSBDPSA-N 1 0 375.296 2.581 20 0 GFADRO O=C(C[NH2+]C[C@H]1CCCO1)N1CCC(c2ccc(Br)cc2)CC1 ZINC000575861101 655438627 /nfs/dbraw/zinc/43/86/27/655438627.db2.gz BQJRPMCJKABEFL-QGZVFWFLSA-N 1 0 381.314 2.924 20 0 GFADRO CCN(CCOC)c1cccc(C[N@H+](C)CCn2cc(Br)cn2)n1 ZINC000575958293 655440836 /nfs/dbraw/zinc/44/08/36/655440836.db2.gz IYZAGZFXEICHJO-UHFFFAOYSA-N 1 0 396.333 2.645 20 0 GFADRO COc1c(Br)cc(Cl)cc1S(=O)(=O)N[C@H](C[NH3+])C(C)(C)C ZINC000261595280 655441425 /nfs/dbraw/zinc/44/14/25/655441425.db2.gz DOYYKNIVVXRVQB-LLVKDONJSA-N 1 0 399.738 2.763 20 0 GFADRO CC(C)[C@@](C)(C[NH3+])NC(=O)c1ncc(Br)cc1Br ZINC000576148205 655444430 /nfs/dbraw/zinc/44/44/30/655444430.db2.gz OGJWXFVVVGDFIM-GFCCVEGCSA-N 1 0 379.096 2.710 20 0 GFADRO CC[C@@H](C)Sc1ccc(NC(=O)C2(S(C)(=O)=O)CC[NH2+]CC2)c(C)c1 ZINC000576163184 655444840 /nfs/dbraw/zinc/44/48/40/655444840.db2.gz CNELYXYCBUAFHA-CQSZACIVSA-N 1 0 384.567 2.991 20 0 GFADRO CC[C@H](C)[N@H+](C)CCNC(=O)N(C)C[C@H](O)c1cccc(Br)c1 ZINC000840284347 661151614 /nfs/dbraw/zinc/15/16/14/661151614.db2.gz JYKOMWFTFMFCRM-BBRMVZONSA-N 1 0 386.334 2.854 20 0 GFADRO O=C(N[C@H]1CCc2c1ccc(Cl)c2Cl)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000576695694 655450972 /nfs/dbraw/zinc/45/09/72/655450972.db2.gz YQZRMEJSECGXIG-YGRLFVJLSA-N 1 0 380.279 2.927 20 0 GFADRO Cn1nc(Br)c2c1ncnc2N1CCC([NH+]2CCCCC2)CC1 ZINC000263952506 655454622 /nfs/dbraw/zinc/45/46/22/655454622.db2.gz JOUHNJIIQVAHRP-UHFFFAOYSA-N 1 0 379.306 2.581 20 0 GFADRO O=C(Nc1cnn(-c2ncc(Cl)cc2Cl)c1)N[C@H]1C[NH2+]CCC1(F)F ZINC000576924981 655454762 /nfs/dbraw/zinc/45/47/62/655454762.db2.gz DSIWQZROOALOQE-NSHDSACASA-N 1 0 391.209 2.693 20 0 GFADRO C[C@H]1CN(C(=O)Nc2ccc(CCn3cc(Br)cn3)cc2)CC[NH2+]1 ZINC000576925142 655454846 /nfs/dbraw/zinc/45/48/46/655454846.db2.gz QVNPSHWACCGVKD-ZDUSSCGKSA-N 1 0 392.301 2.714 20 0 GFADRO O=S(=O)(c1ccc(Br)c(F)c1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000577064284 655456829 /nfs/dbraw/zinc/45/68/29/655456829.db2.gz VCMKZCLWMPHUNO-GFCCVEGCSA-N 1 0 391.306 2.598 20 0 GFADRO COc1cc(C(=O)NC[C@H]2[NH2+]CCCC2(C)C)cc(Br)c1OC ZINC000577365094 655457655 /nfs/dbraw/zinc/45/76/55/655457655.db2.gz FWTUMTIXAHNNJQ-CQSZACIVSA-N 1 0 385.302 2.974 20 0 GFADRO O=C(Nc1ccn(-c2ccc(Cl)cc2Cl)n1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000577364146 655457687 /nfs/dbraw/zinc/45/76/87/655457687.db2.gz YRJJBRRMYNZRBR-NWDGAFQWSA-N 1 0 380.279 3.252 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H]2CN(CCS(=O)(=O)c3cc(Cl)ccc3Cl)C[C@@H]21 ZINC000577373860 655458156 /nfs/dbraw/zinc/45/81/56/655458156.db2.gz VRRDIOBAGTTWBC-OSAQELSMSA-N 1 0 377.337 2.826 20 0 GFADRO Cc1csc([C@](O)(CC(=O)NCC[N@@H+](C)C2CCCC2)C(F)(F)F)n1 ZINC000264203601 655458876 /nfs/dbraw/zinc/45/88/76/655458876.db2.gz RNESMGPNPQKCPR-OAHLLOKOSA-N 1 0 379.448 2.582 20 0 GFADRO CN(C)S(=O)(=O)N1CCCC[C@@H]1C[NH2+][C@H]1CCSc2ccc(F)cc21 ZINC000577437651 655459537 /nfs/dbraw/zinc/45/95/37/655459537.db2.gz AMCCBUBHCXHINB-ZBFHGGJFSA-N 1 0 387.546 2.613 20 0 GFADRO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)c2sccc2Br)CC1 ZINC000264377350 655462211 /nfs/dbraw/zinc/46/22/11/655462211.db2.gz DPTYFSJKCGEOPF-CYBMUJFWSA-N 1 0 386.359 2.753 20 0 GFADRO Cn1cc(CN2CCN(c3ncc4scc(Br)c4n3)CC2)cn1 ZINC000577650214 655463634 /nfs/dbraw/zinc/46/36/34/655463634.db2.gz IOWPWHNZKLKFLL-UHFFFAOYSA-N 1 0 393.314 2.510 20 0 GFADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)C1(c2ccc(Br)cc2)CCC1 ZINC000264469247 655464403 /nfs/dbraw/zinc/46/44/03/655464403.db2.gz UAILQZDRPPIUKB-HNNXBMFYSA-N 1 0 394.357 2.623 20 0 GFADRO Cc1nc2ccc(S(=O)(=O)N3CC[C@H](C4CC[NH+](C)CC4)C3)cc2s1 ZINC000577685652 655464589 /nfs/dbraw/zinc/46/45/89/655464589.db2.gz UTWGNDOOPKSURZ-HNNXBMFYSA-N 1 0 379.551 2.957 20 0 GFADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)c1[nH]c2ccc(Cl)cc2c1Cl ZINC000264554052 655466071 /nfs/dbraw/zinc/46/60/71/655466071.db2.gz PMARJDZZBIJJGI-ZDUSSCGKSA-N 1 0 383.279 2.544 20 0 GFADRO CS[C@H]1CN(C(=O)Nc2cc(-c3cccc(Cl)c3)on2)C[C@@H]1[NH+](C)C ZINC000577807528 655467478 /nfs/dbraw/zinc/46/74/78/655467478.db2.gz XJMMUZFNVHZHEK-ZFWWWQNUSA-N 1 0 380.901 3.504 20 0 GFADRO COc1ccc(Br)cc1C(=O)CCC(=O)NCC1(C)CC[NH2+]CC1 ZINC000577848190 655468416 /nfs/dbraw/zinc/46/84/16/655468416.db2.gz CWCQLFKJZMKOPP-UHFFFAOYSA-N 1 0 397.313 2.927 20 0 GFADRO C[C@@H](CNS(=O)(=O)c1ccc(OC(F)F)c(F)c1)[N@@H+]1CCCC[C@H]1C ZINC000577854828 655468456 /nfs/dbraw/zinc/46/84/56/655468456.db2.gz FUQJGOIOYWTLLA-NEPJUHHUSA-N 1 0 380.432 2.968 20 0 GFADRO O[C@@H](COc1ccc(Cl)cc1Cl)C[N@@H+]1CCC[C@@H](N2CCOCC2)C1 ZINC000577862066 655468828 /nfs/dbraw/zinc/46/88/28/655468828.db2.gz VJXZZVCLIVROME-HZPDHXFCSA-N 1 0 389.323 2.530 20 0 GFADRO Brc1c[nH+]c(NCc2ccc3[nH]cnc3c2)cc1N1CCOCC1 ZINC000578022656 655471410 /nfs/dbraw/zinc/47/14/10/655471410.db2.gz MTQPNJUPMIYKDC-UHFFFAOYSA-N 1 0 388.269 3.169 20 0 GFADRO CCOC(=O)c1cn(CC2CC[NH2+]CC2)c2cc(Br)ccc2c1=O ZINC000578130041 655473279 /nfs/dbraw/zinc/47/32/79/655473279.db2.gz OKYDNWRUYHSIBY-UHFFFAOYSA-N 1 0 393.281 2.940 20 0 GFADRO CCN(C[C@H]1CCC[N@@H+]1CC)C(=O)CNC(=O)c1cccc(Br)c1 ZINC000578386862 655477481 /nfs/dbraw/zinc/47/74/81/655477481.db2.gz WMBMCOJWGXXPRX-MRXNPFEDSA-N 1 0 396.329 2.512 20 0 GFADRO Cc1sc(=O)n(CCC(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)c1C ZINC000265216116 655479046 /nfs/dbraw/zinc/47/90/46/655479046.db2.gz MFDCMUULWAWXTE-HNNXBMFYSA-N 1 0 379.551 2.932 20 0 GFADRO CN(CC[N@H+](C)C1CC1)C(=O)C1(c2cccc(Br)c2)CC(=O)C1 ZINC000578475201 655479882 /nfs/dbraw/zinc/47/98/82/655479882.db2.gz YZFXTTBOVZPKRB-UHFFFAOYSA-N 1 0 379.298 2.602 20 0 GFADRO COc1cc(Br)c(C[NH2+][C@@H]2CCO[C@H](c3nccn3C)C2)cc1O ZINC000578483649 655479990 /nfs/dbraw/zinc/47/99/90/655479990.db2.gz IDSARFGRTJQCEB-WBMJQRKESA-N 1 0 396.285 2.907 20 0 GFADRO CC(C)[C@H](C(=O)NCc1ccc(Br)cc1N1CCOCC1)[C@H](C)[NH3+] ZINC000578536545 655481410 /nfs/dbraw/zinc/48/14/10/655481410.db2.gz HZOCZEMWXJVIAU-GUYCJALGSA-N 1 0 398.345 2.521 20 0 GFADRO O=S(=O)(NC[C@H]1CCCN(Cc2cc(Br)cs2)C1)C1CC1 ZINC000578551511 655481681 /nfs/dbraw/zinc/48/16/81/655481681.db2.gz QZYLQIQRFCTZFF-LLVKDONJSA-N 1 0 393.372 2.804 20 0 GFADRO CN(CC(=O)OCC[C@@H]1CCCC[N@@H+]1C)C(=O)c1ccc(Br)o1 ZINC000840216938 661147525 /nfs/dbraw/zinc/14/75/25/661147525.db2.gz YCYFVPZRDRGGGM-LBPRGKRZSA-N 1 0 387.274 2.532 20 0 GFADRO CCS(=O)(=O)N(C)CCC[NH2+]C/C(C)=C\c1ccccc1OC(F)F ZINC000578701340 655484866 /nfs/dbraw/zinc/48/48/66/655484866.db2.gz FJFVRXVABSAOPE-OWBHPGMISA-N 1 0 376.469 2.953 20 0 GFADRO Cn1nc(Br)c2c1ncnc2N1CCC[N@@H+](C2CCCC2)CC1 ZINC000265622931 655487292 /nfs/dbraw/zinc/48/72/92/655487292.db2.gz YDSNTERLMMZWEN-UHFFFAOYSA-N 1 0 379.306 2.581 20 0 GFADRO Cc1cc(CCC(=O)N2C[C@H](C[NH3+])C3(C2)CCOCC3)ccc1Br ZINC000578865837 655488262 /nfs/dbraw/zinc/48/82/62/655488262.db2.gz AXDSJAHIOVCZOO-INIZCTEOSA-N 1 0 395.341 2.904 20 0 GFADRO Ic1cccnc1NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000265862254 655492143 /nfs/dbraw/zinc/49/21/43/655492143.db2.gz SLNAFIFBCMMSDA-LBPRGKRZSA-N 1 0 387.265 2.599 20 0 GFADRO CN(C[C@H](O)c1cccc(Br)c1)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000840242274 661149349 /nfs/dbraw/zinc/14/93/49/661149349.db2.gz XHIPHMUHLUPQGW-INIZCTEOSA-N 1 0 398.345 2.998 20 0 GFADRO CS[C@H](CO)[C@@H](C)NC(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000265961208 655494096 /nfs/dbraw/zinc/49/40/96/655494096.db2.gz RGOKJZUMMGTWRJ-RHSMWYFYSA-N 1 0 383.583 2.512 20 0 GFADRO O=C(CCC[S@](=O)c1ccc(Br)cc1)NCCC[NH2+]C1CC1 ZINC000579123147 655494410 /nfs/dbraw/zinc/49/44/10/655494410.db2.gz HEMGPQHACAUUIA-QFIPXVFZSA-N 1 0 387.343 2.595 20 0 GFADRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1cc(F)ccc1I ZINC000266017831 655495290 /nfs/dbraw/zinc/49/52/90/655495290.db2.gz VMUKNSLNMVUQGT-QMTHXVAHSA-N 1 0 390.240 2.843 20 0 GFADRO O=C(/C=C/c1ccc(Br)s1)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000266048514 655495795 /nfs/dbraw/zinc/49/57/95/655495795.db2.gz AHFRRKBJBRYMDR-CXLRFSCWSA-N 1 0 385.327 2.705 20 0 GFADRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N(C)Cc1c(Cl)cccc1Cl ZINC000579405730 655498993 /nfs/dbraw/zinc/49/89/93/655498993.db2.gz LTJNXGFUMJBSFS-ZBEGNZNMSA-N 1 0 384.307 2.551 20 0 GFADRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)NCCOc3ncc(Cl)cc3Cl)C2)C1 ZINC000579443419 655499746 /nfs/dbraw/zinc/49/97/46/655499746.db2.gz WOZIIZFYMYIMAV-QGZVFWFLSA-N 1 0 387.311 2.895 20 0 GFADRO C[C@@H](CNC(=O)[C@H](c1ccc(Cl)cc1Cl)N1CCOCC1)C[NH+](C)C ZINC000579505520 655500561 /nfs/dbraw/zinc/50/05/61/655500561.db2.gz IVZWHXOPHZHESH-GUYCJALGSA-N 1 0 388.339 2.681 20 0 GFADRO CSC1(CNC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)CC[NH+](C)CC1 ZINC000579534669 655501008 /nfs/dbraw/zinc/50/10/08/655501008.db2.gz GDGGKROEXJNRET-UHFFFAOYSA-N 1 0 390.336 2.876 20 0 GFADRO C[C@@H](CNC(=O)N(C)C[C@@H](O)c1cccc(Br)c1)[NH+]1CCCCC1 ZINC000840271156 661150628 /nfs/dbraw/zinc/15/06/28/661150628.db2.gz VPUVXTQLDLEWOM-WMLDXEAASA-N 1 0 398.345 2.998 20 0 GFADRO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]C[C@H]1CC(=O)N(C2CC2)C1 ZINC000579722332 655503143 /nfs/dbraw/zinc/50/31/43/655503143.db2.gz INQGBDIHRMMUQD-CHWSQXEVSA-N 1 0 394.313 2.767 20 0 GFADRO C[C@H](NC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1)c1ccc(Cl)cc1Cl ZINC000579947002 655506073 /nfs/dbraw/zinc/50/60/73/655506073.db2.gz LLSBJEGMUSSMJU-JMPLFQLZSA-N 1 0 382.295 2.924 20 0 GFADRO CCCN(CC[NH+]1CCCCCC1)S(=O)(=O)c1ccsc1C(=O)OC ZINC000580001948 655506548 /nfs/dbraw/zinc/50/65/48/655506548.db2.gz CAFXXEYUOHTFOX-UHFFFAOYSA-N 1 0 388.555 2.811 20 0 GFADRO Cc1c(Br)c2ccccc2n1CC(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000580340833 655511313 /nfs/dbraw/zinc/51/13/13/655511313.db2.gz ZVJINZICLXYYIV-GOSISDBHSA-N 1 0 376.298 2.924 20 0 GFADRO COC(=O)c1nccc(N(CC[NH+](C)C)Cc2ccc(Br)cc2)n1 ZINC000596157982 655514298 /nfs/dbraw/zinc/51/42/98/655514298.db2.gz LLLXCVBBGJMUSL-UHFFFAOYSA-N 1 0 393.285 2.594 20 0 GFADRO CC(C)(C)OC(=O)N1CCO[C@@H](C[NH2+]Cc2ccncc2Br)C1 ZINC000703801939 655521974 /nfs/dbraw/zinc/52/19/74/655521974.db2.gz OFMBPHDOVOGMQS-ZDUSSCGKSA-N 1 0 386.290 2.570 20 0 GFADRO Brc1cc2c(cc1C[N@@H+]1CCC[C@H](C3OCCO3)C1)OCCO2 ZINC000719056758 655524278 /nfs/dbraw/zinc/52/42/78/655524278.db2.gz FPDZTEVXHKTWFQ-LBPRGKRZSA-N 1 0 384.270 2.805 20 0 GFADRO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)c1ccc(F)cc1I ZINC000720824483 655524838 /nfs/dbraw/zinc/52/48/38/655524838.db2.gz IIDPJXMGPZPLCC-UONOGXRCSA-N 1 0 388.224 2.739 20 0 GFADRO CCC[NH+]1CCC(NC(=O)/C=C\c2ccc(I)o2)CC1 ZINC000726319463 655532996 /nfs/dbraw/zinc/53/29/96/655532996.db2.gz CKQYZSAKIBRSQJ-XQRVVYSFSA-N 1 0 388.249 2.888 20 0 GFADRO Brc1ccc2c(c1)C=C(C[NH2+]Cc1ccc(-n3cncn3)nc1)CO2 ZINC000726607314 655536629 /nfs/dbraw/zinc/53/66/29/655536629.db2.gz QCEJFVLGJHKBEB-UHFFFAOYSA-N 1 0 398.264 2.990 20 0 GFADRO CN(C(=O)NC[C@H]1CC1(Cl)Cl)C1CC[NH+](CCc2ccccn2)CC1 ZINC000727224161 655543232 /nfs/dbraw/zinc/54/32/32/655543232.db2.gz HXFZBGWRJQFUTA-CQSZACIVSA-N 1 0 385.339 2.924 20 0 GFADRO O=S(=O)(/C=C\c1ccccc1Cl)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000727456654 655545882 /nfs/dbraw/zinc/54/58/82/655545882.db2.gz BDRSVTVWOJJFQX-XMCSSRMMSA-N 1 0 384.929 2.827 20 0 GFADRO COc1ccc(OC)c([C@H](O)C[NH2+]C[C@@H](O)c2ccc(Br)cc2)c1 ZINC000728942533 655560441 /nfs/dbraw/zinc/56/04/41/655560441.db2.gz MRTRHRZRWXMOSX-IAGOWNOFSA-N 1 0 396.281 2.823 20 0 GFADRO COc1ccc(OC)c([C@@H](O)C[NH2+]C[C@H](O)c2ccc(Br)cc2)c1 ZINC000728942534 655560447 /nfs/dbraw/zinc/56/04/47/655560447.db2.gz MRTRHRZRWXMOSX-IRXDYDNUSA-N 1 0 396.281 2.823 20 0 GFADRO O[C@@H](C[NH2+]C[C@H](O)COc1ccc(F)cc1)c1ccc(Br)cc1 ZINC000728942809 655560453 /nfs/dbraw/zinc/56/04/53/655560453.db2.gz QDYSWFFXAZSNLV-RDJZCZTQSA-N 1 0 384.245 2.651 20 0 GFADRO CN(C[C@@H](O)c1cccc(Br)c1)C(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000840390634 661159938 /nfs/dbraw/zinc/15/99/38/661159938.db2.gz JKLPBPWSFHHEJH-WMLDXEAASA-N 1 0 398.345 2.856 20 0 GFADRO COCCN(CC[NH+](C)C)C(=S)NCCc1ccc(Cl)cc1Cl ZINC000729644416 655566221 /nfs/dbraw/zinc/56/62/21/655566221.db2.gz LRZTVPOYVQGWJZ-UHFFFAOYSA-N 1 0 378.369 2.920 20 0 GFADRO O=c1ccn(C[N@@H+]2CC[C@H](N3CCCC3)C2)c2c(Br)cccc12 ZINC000729850614 655569271 /nfs/dbraw/zinc/56/92/71/655569271.db2.gz XEEUGYZTXPLEQE-AWEZNQCLSA-N 1 0 376.298 2.892 20 0 GFADRO O[C@H](CN1CCO[C@H](c2cc(F)c(Cl)cc2Cl)C1)C[NH+]1CCCC1 ZINC000730379091 655575218 /nfs/dbraw/zinc/57/52/18/655575218.db2.gz YPIVNFFIOPKZBR-SJCJKPOMSA-N 1 0 377.287 2.963 20 0 GFADRO NS(=O)(=O)c1ccc(CC[NH2+]C2(c3ccc(Br)cc3)CC2)cc1 ZINC000730939919 655579503 /nfs/dbraw/zinc/57/95/03/655579503.db2.gz RIDVKQDVCOHPRM-UHFFFAOYSA-N 1 0 395.322 2.918 20 0 GFADRO C[C@@H](CNC(=O)c1ccccc1SC(F)(F)F)C[NH+]1CCN(C)CC1 ZINC000733976547 655624809 /nfs/dbraw/zinc/62/48/09/655624809.db2.gz REPSRNNNMYIHBL-ZDUSSCGKSA-N 1 0 375.460 2.912 20 0 GFADRO COc1ccc2nc(Cl)ccc2c1S(=O)(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000734843475 655635247 /nfs/dbraw/zinc/63/52/47/655635247.db2.gz LCPOKAHPDHZVMQ-GFCCVEGCSA-N 1 0 383.901 2.612 20 0 GFADRO C[N@@H+]1CCCN(CCNC(=S)Nc2ccc(OC(F)F)c(Cl)c2)CC1 ZINC000735623848 655649912 /nfs/dbraw/zinc/64/99/12/655649912.db2.gz QMWAYKSATITETM-UHFFFAOYSA-N 1 0 392.903 2.865 20 0 GFADRO CCCCCC[N@H+](C)CC(=O)N1CSC[C@@H]1C(=O)Nc1ncc(C)s1 ZINC000735656966 655650647 /nfs/dbraw/zinc/65/06/47/655650647.db2.gz RZMUXTNYRGYTOI-CQSZACIVSA-N 1 0 384.571 2.804 20 0 GFADRO CC[NH+](CC)CC1CCN(Cn2nnn(Cc3cccs3)c2=S)CC1 ZINC000738070434 655684928 /nfs/dbraw/zinc/68/49/28/655684928.db2.gz HMOMKLHLLJQIKB-UHFFFAOYSA-N 1 0 380.587 2.930 20 0 GFADRO CN(Cc1ccc(C[NH+](C)C)cc1)S(=O)(=O)c1c(Cl)nc2sccn21 ZINC000738365735 655689985 /nfs/dbraw/zinc/68/99/85/655689985.db2.gz FCYGHDLEBQTIMU-UHFFFAOYSA-N 1 0 398.941 2.932 20 0 GFADRO C[C@H](CNC(=O)CN1C(=S)N=NC1c1cccs1)[NH+]1CCC(C)CC1 ZINC000742402219 655717762 /nfs/dbraw/zinc/71/77/62/655717762.db2.gz VTHPQRXPTZSZFE-CYBMUJFWSA-N 1 0 379.555 2.532 20 0 GFADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)N[C@@H]1COc2c1ccc(Cl)c2Cl ZINC000743682077 655730849 /nfs/dbraw/zinc/73/08/49/655730849.db2.gz FPLJPBBZEMJGMJ-JTNHKYCSSA-N 1 0 386.279 2.589 20 0 GFADRO CC(C)[NH+]1CCC(NC(=O)COC(=O)Cc2cccc(Br)c2)CC1 ZINC000744915690 655746614 /nfs/dbraw/zinc/74/66/14/655746614.db2.gz PYAXNTGQEXVJTL-UHFFFAOYSA-N 1 0 397.313 2.524 20 0 GFADRO COC1CC[NH+](C2(CNC(=O)c3ccc(Br)nc3)CCCC2)CC1 ZINC000746519338 655763168 /nfs/dbraw/zinc/76/31/68/655763168.db2.gz WWJJIZSPROKTDH-UHFFFAOYSA-N 1 0 396.329 2.998 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2S(=O)(=O)/C=C/c1ccc(Cl)cc1 ZINC000746701871 655766732 /nfs/dbraw/zinc/76/67/32/655766732.db2.gz KIWPSDMQZUJCAE-RFPJGQSXSA-N 1 0 384.929 2.824 20 0 GFADRO CC(C)[NH+]1CCC(NC(=O)COC(=O)c2cc(N)cc(Cl)c2Cl)CC1 ZINC000747019650 655770103 /nfs/dbraw/zinc/77/01/03/655770103.db2.gz AMEUMIMBYLAQEG-UHFFFAOYSA-N 1 0 388.295 2.721 20 0 GFADRO Cc1nc(-c2cccs2)c(CC(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)s1 ZINC000747236872 655774788 /nfs/dbraw/zinc/77/47/88/655774788.db2.gz QTYZMRZGSKZAKT-ZIAGYGMSSA-N 1 0 377.535 2.702 20 0 GFADRO COC(=O)CCCNC(=S)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000747724440 655782552 /nfs/dbraw/zinc/78/25/52/655782552.db2.gz DMPRPVOQABTUQJ-MRXNPFEDSA-N 1 0 383.945 2.894 20 0 GFADRO CCOC(=O)c1nn(C[N@H+](CC)CCOC)c2ccc(Br)cc21 ZINC000748258001 655789232 /nfs/dbraw/zinc/78/92/32/655789232.db2.gz NHGUELUUUMVYBX-UHFFFAOYSA-N 1 0 384.274 2.901 20 0 GFADRO O=S(=O)(N[C@H]1CC[N@H+](CC2CC2)C1)c1cc2ccc(Cl)nc2cc1F ZINC000750162373 655811976 /nfs/dbraw/zinc/81/19/76/655811976.db2.gz DWXYIZVTPGFZFF-ZDUSSCGKSA-N 1 0 383.876 2.790 20 0 GFADRO CN(CC1CC[NH+](C)CC1)S(=O)(=O)c1cc2ccc(Cl)nc2cc1F ZINC000750158108 655812002 /nfs/dbraw/zinc/81/20/02/655812002.db2.gz ZSDOMPLKJYKDTH-UHFFFAOYSA-N 1 0 385.892 2.990 20 0 GFADRO CN(C)c1cc(NC(=S)NCC(C)(C)C[NH+](C)C)ncc1Br ZINC000840815970 661191370 /nfs/dbraw/zinc/19/13/70/661191370.db2.gz JUKKCYTYQBCWMI-UHFFFAOYSA-N 1 0 388.379 2.784 20 0 GFADRO CC[NH+]1CCN(CC(C)(C)NC(=S)NCCSc2ccccc2)CC1 ZINC000840827417 661193316 /nfs/dbraw/zinc/19/33/16/661193316.db2.gz IVOTZSHOWNPGLS-UHFFFAOYSA-N 1 0 380.627 2.659 20 0 GFADRO Cc1cc(Br)ncc1NC(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000754456134 655867952 /nfs/dbraw/zinc/86/79/52/655867952.db2.gz OGOYWNVVWHSPRM-CHWSQXEVSA-N 1 0 385.306 2.773 20 0 GFADRO COCCC[NH+]1CCC(NC(=O)Nc2cnc(Br)cc2C)CC1 ZINC000754458657 655868212 /nfs/dbraw/zinc/86/82/12/655868212.db2.gz HFYLSRUAFBPTMS-UHFFFAOYSA-N 1 0 385.306 2.775 20 0 GFADRO C[C@H]([NH2+]CCC(C)(C)S(C)(=O)=O)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000840874919 661197519 /nfs/dbraw/zinc/19/75/19/661197519.db2.gz AYVQZZYNPCRRSC-LSDHHAIUSA-N 1 0 376.563 2.967 20 0 GFADRO Cc1ccc(C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)c(Br)n1 ZINC000755904367 655891067 /nfs/dbraw/zinc/89/10/67/655891067.db2.gz OMWHNIFXDFUZQF-AWEZNQCLSA-N 1 0 382.302 2.526 20 0 GFADRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)c2ccc(C)nc2Br)C1 ZINC000755945364 655891715 /nfs/dbraw/zinc/89/17/15/655891715.db2.gz ITGWKBCMAYENIL-CQSZACIVSA-N 1 0 384.318 2.725 20 0 GFADRO CCC[NH+](CCC)CCCNC(=O)c1cccnc1I ZINC000758054839 655922245 /nfs/dbraw/zinc/92/22/45/655922245.db2.gz JVUSXIWPROYNPJ-UHFFFAOYSA-N 1 0 389.281 2.928 20 0 GFADRO Cc1n[nH]c(C(=O)N[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)c1Br ZINC000758202781 655926051 /nfs/dbraw/zinc/92/60/51/655926051.db2.gz PNQYRQLOUFWUCF-BXUZGUMPSA-N 1 0 377.286 2.873 20 0 GFADRO CS[C@@H]1CN(C(=O)c2c(C)nn(-c3ccccc3)c2Cl)C[C@H]1[NH+](C)C ZINC000760209556 655972521 /nfs/dbraw/zinc/97/25/21/655972521.db2.gz SMMUWGFGTJHJHO-HUUCEWRRSA-N 1 0 378.929 2.952 20 0 GFADRO CC[NH+]1CCN(CCC(=O)NCC[C@@H](O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000760727868 655990656 /nfs/dbraw/zinc/99/06/56/655990656.db2.gz ZGODRZNZAZRJLS-QGZVFWFLSA-N 1 0 388.339 2.561 20 0 GFADRO C[C@@H](CN1C(=O)N[C@@H](c2ccc(Br)cc2)C1=O)[NH+]1CCCCC1 ZINC000761116638 655999027 /nfs/dbraw/zinc/99/90/27/655999027.db2.gz BLVCQJIANVSFIX-WFASDCNBSA-N 1 0 380.286 2.916 20 0 GFADRO CC(C)OCC[NH+]1CCC(NC(=O)N[C@@H]2CC[C@H]3SCCS[C@H]23)CC1 ZINC000762635298 656053794 /nfs/dbraw/zinc/05/37/94/656053794.db2.gz VOWZAQIYPVSRPH-BRWVUGGUSA-N 1 0 387.615 2.555 20 0 GFADRO CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H]([NH2+]Cc2ccc(S(C)(=O)=O)s2)C1 ZINC000840951726 661217859 /nfs/dbraw/zinc/21/78/59/661217859.db2.gz IQMAMHMDTNGLCW-CHWSQXEVSA-N 1 0 388.555 2.935 20 0 GFADRO Fc1cc2ncnc(NC[C@H]3C[N@@H+]4CCC[C@H]4CO3)c2cc1Br ZINC000762793622 656059075 /nfs/dbraw/zinc/05/90/75/656059075.db2.gz ITWIWYJQVUSVSY-QWRGUYRKSA-N 1 0 381.249 2.807 20 0 GFADRO Cc1sc(Cl)nc1C(=O)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000762873323 656062071 /nfs/dbraw/zinc/06/20/71/656062071.db2.gz PLEKZJRHHRITNH-UHFFFAOYSA-N 1 0 379.913 2.992 20 0 GFADRO C[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc3cc(Br)ccc3c2)C1 ZINC000764251679 656105911 /nfs/dbraw/zinc/10/59/11/656105911.db2.gz ZBXLSLBXWCISLP-INIZCTEOSA-N 1 0 390.281 2.751 20 0 GFADRO C[N@H+](CCNC(=O)C(=O)Nc1ccc2cc(Br)ccc2c1)C1CC1 ZINC000764255786 656106504 /nfs/dbraw/zinc/10/65/04/656106504.db2.gz FXWGTXYRKHQLGL-UHFFFAOYSA-N 1 0 390.281 2.751 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)C(=O)NCC[N@@H+]1CCC[C@H]1C ZINC000764269230 656107326 /nfs/dbraw/zinc/10/73/26/656107326.db2.gz PKUGSLZYEMOAHQ-GFCCVEGCSA-N 1 0 382.302 2.551 20 0 GFADRO CS(=O)(=O)N1CCC([NH2+][C@H]2CCOc3c(Cl)c(Cl)ccc32)CC1 ZINC000764820599 656120609 /nfs/dbraw/zinc/12/06/09/656120609.db2.gz QRCKCZNZMYNXGI-ZDUSSCGKSA-N 1 0 379.309 2.831 20 0 GFADRO O=C(Nc1cc2c(cc1Br)OCCO2)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000841015499 661227835 /nfs/dbraw/zinc/22/78/35/661227835.db2.gz MGMDBKPRVUCWNV-PHIMTYICSA-N 1 0 382.258 2.579 20 0 GFADRO CS(=O)(=O)CC[NH2+][C@@H](Cc1ccccn1)c1ccc(Br)cc1 ZINC000765441507 656143247 /nfs/dbraw/zinc/14/32/47/656143247.db2.gz MBZCPQDERNYWQA-INIZCTEOSA-N 1 0 383.311 2.762 20 0 GFADRO C[C@H](NC(=O)C1SCCCS1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000841098108 661232562 /nfs/dbraw/zinc/23/25/62/661232562.db2.gz CKIPRZYYLHTYIM-ZDUSSCGKSA-N 1 0 383.558 2.951 20 0 GFADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)N1CCc2c(Cl)cc(Cl)cc2C1 ZINC000765755230 656151102 /nfs/dbraw/zinc/15/11/02/656151102.db2.gz PSYBJYYVAZMXDC-GJZGRUSLSA-N 1 0 384.307 2.924 20 0 GFADRO C[C@@H]([NH2+]C1CCN(CCS(C)(=O)=O)CC1)c1sccc1Br ZINC000765890599 656154318 /nfs/dbraw/zinc/15/43/18/656154318.db2.gz JSOPEPYIZMOFSY-LLVKDONJSA-N 1 0 395.388 2.670 20 0 GFADRO CC[N@@H+]1C[C@H](C)N(C(=O)C[C@@](O)(c2nc(C)cs2)C(F)(F)F)C[C@H]1C ZINC000765925916 656154854 /nfs/dbraw/zinc/15/48/54/656154854.db2.gz RPFXQMJAGCBCPL-TYNCELHUSA-N 1 0 379.448 2.533 20 0 GFADRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1cc(=O)c2cc(Br)ccc2o1 ZINC000841055246 661230277 /nfs/dbraw/zinc/23/02/77/661230277.db2.gz MNHJLMWAUUPWJR-KBPBESRZSA-N 1 0 391.265 2.912 20 0 GFADRO CCC[N@H+](C)C[C@H]1CCN(CN2C(=O)c3ccc(Br)cc3C2=O)C1 ZINC000766096560 656161582 /nfs/dbraw/zinc/16/15/82/656161582.db2.gz XOVNHUPLLMRBAV-CYBMUJFWSA-N 1 0 394.313 2.666 20 0 GFADRO CC[NH+]1CCN(c2ccc(NC(=O)CSC3=N[C@@H](C)CS3)cc2)CC1 ZINC000766292528 656167605 /nfs/dbraw/zinc/16/76/05/656167605.db2.gz IPFUIXIKKWTAEA-AWEZNQCLSA-N 1 0 378.567 2.992 20 0 GFADRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2Cn2c3ccc(Br)cc3oc2=O)C1 ZINC000768502301 656240696 /nfs/dbraw/zinc/24/06/96/656240696.db2.gz NDGYKAUETNLXIC-GXTWGEPZSA-N 1 0 380.286 2.731 20 0 GFADRO CC(C)([NH3+])CNC(=O)C(=O)Nc1ccccc1SC[C@H]1CC1(Cl)Cl ZINC000841189312 661243041 /nfs/dbraw/zinc/24/30/41/661243041.db2.gz YPSCFLDVAMBSLW-SNVBAGLBSA-N 1 0 390.336 2.765 20 0 GFADRO CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NS(=O)(=O)c1cn(C)c(Cl)n1 ZINC000768911596 656260262 /nfs/dbraw/zinc/26/02/62/656260262.db2.gz QQDBHHJDWHZSQH-HNNXBMFYSA-N 1 0 384.933 2.508 20 0 GFADRO C[N@H+](CCOC(=O)c1ccc(N)c(Br)n1)Cc1ccc(F)cc1 ZINC000769131428 656265914 /nfs/dbraw/zinc/26/59/14/656265914.db2.gz OYLPXQVCNUUPID-UHFFFAOYSA-N 1 0 382.233 2.854 20 0 GFADRO C[N@H+](CCC1CCN(C(=O)OC(C)(C)C)CC1)CC(C)(C)S(C)(=O)=O ZINC000769519237 656279172 /nfs/dbraw/zinc/27/91/72/656279172.db2.gz MBMFASUIKVVJDC-UHFFFAOYSA-N 1 0 376.563 2.779 20 0 GFADRO C[NH+]1CCC(CNC(=S)NNc2ccc(Br)c(F)c2)CC1 ZINC000769762530 656290560 /nfs/dbraw/zinc/29/05/60/656290560.db2.gz DTPPBAAZZDDTQT-UHFFFAOYSA-N 1 0 375.311 2.721 20 0 GFADRO CC(C)OC[C@@H]1C[N@H+](Cn2ccc(=O)c3cccc(Br)c32)CCO1 ZINC000769811853 656292849 /nfs/dbraw/zinc/29/28/49/656292849.db2.gz CVDOYIVKGILVBJ-AWEZNQCLSA-N 1 0 395.297 2.847 20 0 GFADRO C[C@H](CCCC[NH3+])NC(=O)C(=O)Nc1cc2ccccc2nc1Br ZINC000841247808 661248588 /nfs/dbraw/zinc/24/85/88/661248588.db2.gz BUCFJJYALGSFHP-LLVKDONJSA-N 1 0 393.285 2.570 20 0 GFADRO [NH3+]CC[C@@H](NC(=O)N1CCC(O)(c2ccccc2Cl)CC1)C(F)(F)F ZINC000841334012 661252282 /nfs/dbraw/zinc/25/22/82/661252282.db2.gz WGOSNLXOUXWIKY-CYBMUJFWSA-N 1 0 379.810 2.613 20 0 GFADRO CC(C)[NH+]1CCC(N2CCN(C(=S)Nc3ccc(Cl)nc3)CC2)CC1 ZINC000771117544 656340409 /nfs/dbraw/zinc/34/04/09/656340409.db2.gz HVRKHHHZKNINLK-UHFFFAOYSA-N 1 0 381.977 2.922 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(=O)c2cc(Br)ccc2o1 ZINC000841377312 661255884 /nfs/dbraw/zinc/25/58/84/661255884.db2.gz LYTZCHUDRBVXDZ-LBPRGKRZSA-N 1 0 379.254 2.770 20 0 GFADRO Cc1cccc(N2CC[NH+](CCCNC(=O)C3SCCCS3)CC2)c1 ZINC000841379112 661256120 /nfs/dbraw/zinc/25/61/20/661256120.db2.gz NIIFYYJRENMEFO-UHFFFAOYSA-N 1 0 379.595 2.820 20 0 GFADRO O=C(NCc1cnc(Br)cn1)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000773508688 656454538 /nfs/dbraw/zinc/45/45/38/656454538.db2.gz INCKXHUXXZTXEZ-HNNXBMFYSA-N 1 0 375.270 2.520 20 0 GFADRO COc1ccc(Br)cc1C1(C(=O)N2C[C@@H]3CC[N@H+](C)C[C@@H]3C2)CC1 ZINC000841437790 661265124 /nfs/dbraw/zinc/26/51/24/661265124.db2.gz LDTIVTOJZAGCOE-UONOGXRCSA-N 1 0 393.325 2.899 20 0 GFADRO O=C(NCc1cnc(Br)cn1)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000774276945 656512817 /nfs/dbraw/zinc/51/28/17/656512817.db2.gz YOEYKMOMMSGAID-MRXNPFEDSA-N 1 0 389.297 2.910 20 0 GFADRO CCNS(=O)(=O)CC[NH2+][C@@H]1c2cc(Br)ccc2SC[C@H]1C ZINC000775407895 656637203 /nfs/dbraw/zinc/63/72/03/656637203.db2.gz QWYIQPACNJMKGL-YGRLFVJLSA-N 1 0 393.372 2.761 20 0 GFADRO OCC1([NH2+]C[C@H](O)c2ccc(F)c(Br)c2)Cc2ccccc2C1 ZINC000775600695 656654441 /nfs/dbraw/zinc/65/44/41/656654441.db2.gz KWPQSFWMYZYABN-KRWDZBQOSA-N 1 0 380.257 2.741 20 0 GFADRO COC(=O)N1CCC[C@@H]([C@H](C)[NH2+]CC(=O)Nc2ccccc2Br)C1 ZINC000775812883 656682513 /nfs/dbraw/zinc/68/25/13/656682513.db2.gz PVPXDNFFKOYENV-QWHCGFSZSA-N 1 0 398.301 2.844 20 0 GFADRO CS[C@@H]1CN(Cc2ccc(S(=O)(=O)C(F)F)cc2)C[C@@H]1[NH+]1CCCC1 ZINC000776485306 656746351 /nfs/dbraw/zinc/74/63/51/656746351.db2.gz QGMUOGPFLVRQCZ-JKSUJKDBSA-N 1 0 390.521 2.695 20 0 GFADRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=S)Nc1cccc(Br)c1 ZINC000780208288 656991606 /nfs/dbraw/zinc/99/16/06/656991606.db2.gz MRACRWBTNYZWKF-GFCCVEGCSA-N 1 0 386.359 2.923 20 0 GFADRO O=C(NOCc1ccc(F)cc1Br)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000780478929 657008912 /nfs/dbraw/zinc/00/89/12/657008912.db2.gz BZGZZGUFEGDDJG-CQSZACIVSA-N 1 0 386.265 2.803 20 0 GFADRO O[C@@H]1CC[N@H+](Cc2ccccc2CNC(=S)Nc2ccc(Cl)nc2)C1 ZINC000781546071 657062731 /nfs/dbraw/zinc/06/27/31/657062731.db2.gz YPWPHXGUMFFPIR-MRXNPFEDSA-N 1 0 376.913 2.788 20 0 GFADRO COC(=O)C[C@@]1([NH2+]CCOc2cc(F)cc(Br)c2)CCCOC1 ZINC000782543407 657156290 /nfs/dbraw/zinc/15/62/90/657156290.db2.gz KOULPEPTEYYTDF-INIZCTEOSA-N 1 0 390.249 2.669 20 0 GFADRO O=C(CSCCSCCO)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000783591716 657243757 /nfs/dbraw/zinc/24/37/57/657243757.db2.gz XBPQRQSFAFKMLD-UHFFFAOYSA-N 1 0 386.608 2.633 20 0 GFADRO C[C@H]1CCC[N@@H+]1CCNC(=O)c1ccnc(Cl)c1I ZINC000783918674 657274165 /nfs/dbraw/zinc/27/41/65/657274165.db2.gz JBZUJUKQGGYXFO-VIFPVBQESA-N 1 0 393.656 2.554 20 0 GFADRO COc1ccccc1N1CCC([NH2+]Cc2cc(Br)nn2C)CC1 ZINC000785443526 657365223 /nfs/dbraw/zinc/36/52/23/657365223.db2.gz YSAXKORKKLGASI-UHFFFAOYSA-N 1 0 379.302 2.950 20 0 GFADRO C[NH+](C)CC(C)(C)CNC(=S)NCCN1CCc2c(Cl)cccc2C1 ZINC000785474697 657366627 /nfs/dbraw/zinc/36/66/27/657366627.db2.gz JQSUMXLQMLMLCZ-UHFFFAOYSA-N 1 0 383.005 2.750 20 0 GFADRO CC[N@@H+]1CCCC[C@H]1C(=O)NCc1ccc(C(=O)OC)cc1Br ZINC000785852992 657390372 /nfs/dbraw/zinc/39/03/72/657390372.db2.gz OLXDEOYCIIGLBG-HNNXBMFYSA-N 1 0 383.286 2.726 20 0 GFADRO COc1cc(C(=O)N2CCC(C[NH+]3CCCC3)CC2)cnc1Br ZINC000788166484 657665006 /nfs/dbraw/zinc/66/50/06/657665006.db2.gz ISNZAHJAEHRPNX-UHFFFAOYSA-N 1 0 382.302 2.801 20 0 GFADRO COc1cc(C(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)cnc1Br ZINC000788235011 657680791 /nfs/dbraw/zinc/68/07/91/657680791.db2.gz QCFIYEVWPKLHJR-CYBMUJFWSA-N 1 0 382.302 2.657 20 0 GFADRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)c1cc(Br)n[nH]1 ZINC000788308151 657695816 /nfs/dbraw/zinc/69/58/16/657695816.db2.gz VBBKTHQNNAPXBE-ZDUSSCGKSA-N 1 0 377.286 2.909 20 0 GFADRO O=S(=O)(N1CCC(C[NH2+][C@@H]2CCc3ccc(Cl)nc32)CC1)C(F)(F)F ZINC000788591480 657748090 /nfs/dbraw/zinc/74/80/90/657748090.db2.gz HYPZVODIDKJSRO-GFCCVEGCSA-N 1 0 397.850 2.874 20 0 GFADRO COC(=O)c1cc(S(=O)(=O)N[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)ccc1Cl ZINC000788914241 657796874 /nfs/dbraw/zinc/79/68/74/657796874.db2.gz VBMICIUBOMBKGZ-STQMWFEESA-N 1 0 388.917 2.525 20 0 GFADRO O=c1c(Br)nn(C[N@@H+]2CC[C@]3(C2)CCCOC3)c2ccccc12 ZINC000789545032 657862160 /nfs/dbraw/zinc/86/21/60/657862160.db2.gz JTHFAZIYTNWZSX-KRWDZBQOSA-N 1 0 378.270 2.619 20 0 GFADRO COC(=O)c1c2cnn(C[N@@H+]3CC[C@@]4(CCOC4)C3)c2ccc1Br ZINC000790443788 657980168 /nfs/dbraw/zinc/98/01/68/657980168.db2.gz PVJLLETUSLEZCJ-QGZVFWFLSA-N 1 0 394.269 2.655 20 0 GFADRO COC[C@@H]1CCC[N@H+](Cn2ncc3c2ccc(Br)c3C(=O)OC)C1 ZINC000790446788 657981536 /nfs/dbraw/zinc/98/15/36/657981536.db2.gz PXLKVNBMRMBQMN-GFCCVEGCSA-N 1 0 396.285 2.901 20 0 GFADRO CC(C)[NH+]1CCN(CCCOC(=O)c2ccc(Br)c(O)c2)CC1 ZINC000792052742 658226080 /nfs/dbraw/zinc/22/60/80/658226080.db2.gz DMZZBNIVWDUFMH-UHFFFAOYSA-N 1 0 385.302 2.728 20 0 GFADRO COC(=O)[C@@H]1CC[C@@H]([NH2+]Cc2ccc(Br)cc2N2CCOCC2)C1 ZINC000792201964 658249535 /nfs/dbraw/zinc/24/95/35/658249535.db2.gz MFUYTTDGWXRQOH-CZUORRHYSA-N 1 0 397.313 2.717 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)C(=O)Nc1cccc(Cl)n1)c1ccc(Cl)cc1 ZINC000793000315 658343902 /nfs/dbraw/zinc/34/39/02/658343902.db2.gz VIJRHTTYHNNDHS-CYBMUJFWSA-N 1 0 381.263 2.746 20 0 GFADRO COc1cc(/C=C\C(=O)NCC[N@H+]2CC=CCC2)cc(Br)c1O ZINC000794118565 658490305 /nfs/dbraw/zinc/49/03/05/658490305.db2.gz JJUKQHFNVGDDPF-WAYWQWQTSA-N 1 0 381.270 2.555 20 0 GFADRO Cc1ccc(NC(=O)NCC2([NH+]3CCCC3)CCOCC2)nc1Br ZINC000794365362 658531858 /nfs/dbraw/zinc/53/18/58/658531858.db2.gz YFLYWLAYBJWDGR-UHFFFAOYSA-N 1 0 397.317 2.919 20 0 GFADRO CCC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCN(C)c3cc[nH+]cc32)c1 ZINC000795137848 658687140 /nfs/dbraw/zinc/68/71/40/658687140.db2.gz VHRODEYQOROUID-UHFFFAOYSA-N 1 0 379.869 2.973 20 0 GFADRO C[NH+](C)Cc1ccc(S(=O)(=O)Oc2ccc(Cl)c3c2C(=O)OC3)cc1 ZINC000795294211 658801772 /nfs/dbraw/zinc/80/17/72/658801772.db2.gz ZJJQKZZNWWERNR-UHFFFAOYSA-N 1 0 381.837 2.840 20 0 GFADRO O=C1OCCN1CCC[N@H+](CCn1ccnc1)Cc1ccc(Br)o1 ZINC000796191609 658899362 /nfs/dbraw/zinc/89/93/62/658899362.db2.gz MZWUIHSRQKKUBC-UHFFFAOYSA-N 1 0 397.273 2.583 20 0 GFADRO COC(=O)C[C@@](C)([NH2+]CCC1OCCCO1)c1ccc(Br)cc1 ZINC000796497611 658920239 /nfs/dbraw/zinc/92/02/39/658920239.db2.gz MEPIZRJIYWBAAK-QGZVFWFLSA-N 1 0 386.286 2.970 20 0 GFADRO CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]CC1CCN(C(=O)OC)CC1 ZINC000796500303 658920761 /nfs/dbraw/zinc/92/07/61/658920761.db2.gz KRWZMJVRQNAZCT-UHFFFAOYSA-N 1 0 388.917 2.702 20 0 GFADRO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[NH2+]C(C)(C)C(=O)N1CCCC1 ZINC000796583063 658925055 /nfs/dbraw/zinc/92/50/55/658925055.db2.gz RYPXHEUDZCHZPK-UHFFFAOYSA-N 1 0 386.323 2.942 20 0 GFADRO CCOC(=O)C(F)(F)[C@H]1CCC[C@H]([NH2+]CC2(S(C)(=O)=O)CCCC2)C1 ZINC000797102141 658980156 /nfs/dbraw/zinc/98/01/56/658980156.db2.gz OFAGKODTRSEQSF-KBPBESRZSA-N 1 0 381.485 2.691 20 0 GFADRO CCOC(=O)C(F)(F)[C@@H]1CCC[C@@H]([NH2+]CCn2cc(Br)cn2)C1 ZINC000797119216 658983173 /nfs/dbraw/zinc/98/31/73/658983173.db2.gz SNUUXPHIZXTVTR-DGCLKSJQSA-N 1 0 394.260 2.992 20 0 GFADRO CN(CCC[NH+]1CCCC1)C(=O)c1cn(-c2ccccc2Br)nn1 ZINC000799025265 659160488 /nfs/dbraw/zinc/16/04/88/659160488.db2.gz PVNGJMBLTAEBQK-UHFFFAOYSA-N 1 0 392.301 2.588 20 0 GFADRO CON(C)C(=O)CC[N@H+](Cc1cccc(Br)c1)C1CCOCC1 ZINC000799167598 659170339 /nfs/dbraw/zinc/17/03/39/659170339.db2.gz ZVLJOTNKMGBQHU-UHFFFAOYSA-N 1 0 385.302 2.840 20 0 GFADRO O[C@H](C[NH2+]Cc1cc(C(F)(F)F)n[nH]1)c1cc(Cl)c2c(c1)OCCO2 ZINC000799337913 659183227 /nfs/dbraw/zinc/18/32/27/659183227.db2.gz AYRUQRJSIPVHIY-LLVKDONJSA-N 1 0 377.750 2.676 20 0 GFADRO CC[N@@H+]1CCCC[C@H]1CNC(=O)NC[C@H](O)c1cccc(Br)c1 ZINC000799924420 659244653 /nfs/dbraw/zinc/24/46/53/659244653.db2.gz QECOXTDKMSOKNP-HOTGVXAUSA-N 1 0 384.318 2.656 20 0 GFADRO C[C@@H](CNC(=O)NC[C@H](O)c1cccc(Br)c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000799926280 659246035 /nfs/dbraw/zinc/24/60/35/659246035.db2.gz KOCSHAOYJQRVFL-KEYYUXOJSA-N 1 0 398.345 2.902 20 0 GFADRO C[C@@H](CNC(=O)NC[C@H](O)c1cccc(Br)c1)[NH+]1CCCCC1 ZINC000799938455 659247877 /nfs/dbraw/zinc/24/78/77/659247877.db2.gz CQPGZCXEAKKMKL-BBRMVZONSA-N 1 0 384.318 2.656 20 0 GFADRO CC[NH+](CC)CCCOC(=O)c1cc(S(N)(=O)=O)cc(Cl)c1Cl ZINC000800169556 659284026 /nfs/dbraw/zinc/28/40/26/659284026.db2.gz VZQUGPAHEFBFBA-UHFFFAOYSA-N 1 0 383.297 2.530 20 0 GFADRO O=C(OCCC[NH+]1CCCC1)c1ccc(N2CCCS2(=O)=O)cc1Cl ZINC000800169963 659284477 /nfs/dbraw/zinc/28/44/77/659284477.db2.gz IPEHZNYMSFKJKQ-UHFFFAOYSA-N 1 0 386.901 2.523 20 0 GFADRO O=C(OCCC[NH+]1CCCC1)c1cccc(I)c1O ZINC000800199239 659290238 /nfs/dbraw/zinc/29/02/38/659290238.db2.gz ARPDDFDICMDWBW-UHFFFAOYSA-N 1 0 375.206 2.640 20 0 GFADRO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]CC(C)(C)C(F)(F)F ZINC000800889102 659343356 /nfs/dbraw/zinc/34/33/56/659343356.db2.gz OYAFVGUFDNJQIS-JTQLQIEISA-N 1 0 387.855 2.883 20 0 GFADRO C[N@@H+]1CCC[C@H]2CN(CN3Cc4ccc(Br)cc4C3=O)CC[C@H]21 ZINC000802732749 659500077 /nfs/dbraw/zinc/50/00/77/659500077.db2.gz HTAIKPQDACSHDI-WMLDXEAASA-N 1 0 378.314 2.779 20 0 GFADRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2CN2Cc3c(cccc3Br)C2=O)C1 ZINC000802734948 659501582 /nfs/dbraw/zinc/50/15/82/659501582.db2.gz WIQXKTCRHGFSNB-SUMWQHHRSA-N 1 0 378.314 2.779 20 0 GFADRO COc1ccc([C@@H](C[NH+](C)C)NC(=O)c2ccc(Br)nc2)cc1 ZINC000803807961 659606558 /nfs/dbraw/zinc/60/65/58/659606558.db2.gz SEBUDKIOEDYWRV-OAHLLOKOSA-N 1 0 378.270 2.885 20 0 GFADRO COc1cc(/C=C\C(=O)N[C@@H]2CCc3cncn3C2)cc(Br)c1O ZINC000804333928 659635581 /nfs/dbraw/zinc/63/55/81/659635581.db2.gz SZMVGCYMWVJRHK-BXETVTBUSA-N 1 0 392.253 2.504 20 0 GFADRO CNC(=O)OC[C@H]1CCCC[N@@H+]1CCC(=O)Nc1cccc(Br)c1 ZINC000805825683 659807838 /nfs/dbraw/zinc/80/78/38/659807838.db2.gz BZGAMANINKOYID-OAHLLOKOSA-N 1 0 398.301 2.988 20 0 GFADRO CNC(=O)OC[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc(Br)cc1 ZINC000805827532 659808194 /nfs/dbraw/zinc/80/81/94/659808194.db2.gz LKSKWCNWCPNVDU-HNNXBMFYSA-N 1 0 398.301 2.988 20 0 GFADRO COc1c(C)cc([C@H](C)[NH2+][C@@H]2CCCN(S(=O)(=O)N(C)C)C2)cc1Cl ZINC000806171124 659826842 /nfs/dbraw/zinc/82/68/42/659826842.db2.gz UREVHCGEFAQIPG-DZGCQCFKSA-N 1 0 389.949 2.578 20 0 GFADRO Cc1nn(C)c(Br)c1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H]1C ZINC000807740036 659863404 /nfs/dbraw/zinc/86/34/04/659863404.db2.gz RVNVNVOFYMJQBK-DZGCQCFKSA-N 1 0 391.313 2.884 20 0 GFADRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1Cn1nc(Br)c(=O)c2ccccc21 ZINC000808190001 659880844 /nfs/dbraw/zinc/88/08/44/659880844.db2.gz CHGVJVQTUXFBSE-DZGCQCFKSA-N 1 0 391.313 2.675 20 0 GFADRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1Cn1c(=O)oc2cccc(Br)c21 ZINC000808190095 659880848 /nfs/dbraw/zinc/88/08/48/659880848.db2.gz CAXQNVLYZFSWQP-TZMCWYRMSA-N 1 0 380.286 2.873 20 0 GFADRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1CN1Cc2c(cccc2Br)C1=O ZINC000808190633 659880891 /nfs/dbraw/zinc/88/08/91/659880891.db2.gz IKTIPRHYVLXFOF-GUYCJALGSA-N 1 0 378.314 2.921 20 0 GFADRO COc1ccc(C[N@@H+]2CCCN(c3cnc(Br)cn3)CC2)cc1 ZINC000809345738 659923097 /nfs/dbraw/zinc/92/30/97/659923097.db2.gz PCVDSRZIXGWABN-UHFFFAOYSA-N 1 0 377.286 2.960 20 0 GFADRO COC(=O)c1sc(S(=O)(=O)N[C@@H](C)C[N@H+](C)C(C)C)c(C)c1Cl ZINC000809861129 659950427 /nfs/dbraw/zinc/95/04/27/659950427.db2.gz PBHCQKPCDUVCOM-VIFPVBQESA-N 1 0 382.935 2.504 20 0 GFADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)c2cc(Cl)ncc2Br)C1 ZINC000809967266 659953906 /nfs/dbraw/zinc/95/39/06/659953906.db2.gz GMZZZEFSLNLWLV-LLVKDONJSA-N 1 0 390.709 2.584 20 0 GFADRO O=C(NC[C@@H]1CCC[N@@H+](C[C@H](O)c2ccc(Cl)c(F)c2)C1)C(F)(F)F ZINC000810072715 659959466 /nfs/dbraw/zinc/95/94/66/659959466.db2.gz OAWHMKBIDULSRX-HZMBPMFUSA-N 1 0 382.785 2.903 20 0 GFADRO CC(C)[C@@](C)(CO)[NH2+]C[C@H](O)COc1ccc(Cl)cc1Br ZINC000810077529 659959855 /nfs/dbraw/zinc/95/98/55/659959855.db2.gz XODZFOVYUFVVJQ-SWLSCSKDSA-N 1 0 380.710 2.839 20 0 GFADRO COc1ccccc1CCNC(=O)C[NH2+][C@@H](C)c1ccc(Br)nc1 ZINC000810237372 659967531 /nfs/dbraw/zinc/96/75/31/659967531.db2.gz GTXSWLCEUUHOCX-ZDUSSCGKSA-N 1 0 392.297 2.862 20 0 GFADRO O=C(NCCCC[N@H+]1CCC[C@@H]1CO)c1cc(C(F)(F)F)cc(Cl)n1 ZINC000810753899 659984749 /nfs/dbraw/zinc/98/47/49/659984749.db2.gz ILVHGGDHUNZMSU-GFCCVEGCSA-N 1 0 379.810 2.721 20 0 GFADRO Cn1c(SCC(=O)O[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)nnc1-c1cccs1 ZINC000810849140 659988242 /nfs/dbraw/zinc/98/82/42/659988242.db2.gz YRPJVMGFJKXRJU-CHWSQXEVSA-N 1 0 378.523 2.806 20 0 GFADRO O=C(Cc1cc2c(cc1Br)OCCO2)O[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000810839962 659988277 /nfs/dbraw/zinc/98/82/77/659988277.db2.gz CXYONYUMNIGZHQ-KGLIPLIRSA-N 1 0 396.281 2.933 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)NC[C@H](O)c2cccc(Br)c2)C1 ZINC000811496303 660010459 /nfs/dbraw/zinc/01/04/59/660010459.db2.gz VCCGCDXXDPUMBB-YOEHRIQHSA-N 1 0 387.293 2.811 20 0 GFADRO C[NH+]1CCC(NC(=S)NNc2ccc(Br)cc2Cl)CC1 ZINC000811702191 660014458 /nfs/dbraw/zinc/01/44/58/660014458.db2.gz KXCFDNHGUHEMGW-UHFFFAOYSA-N 1 0 377.739 2.988 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3cnn(-c4ccccc4)c3Br)C[C@@H]2C1 ZINC000812329625 660024296 /nfs/dbraw/zinc/02/42/96/660024296.db2.gz JSKOGGUPXARNHY-KGLIPLIRSA-N 1 0 389.297 2.659 20 0 GFADRO COC(=O)/C(C)=C/C[NH2+][C@H](C)c1ccc(Br)cc1OCCCO ZINC000812885135 660036179 /nfs/dbraw/zinc/03/61/79/660036179.db2.gz LEBBTOHLDPCDLP-BWODNOAJSA-N 1 0 386.286 2.980 20 0 GFADRO C[NH+](C)C[C@@H](NC(=O)Cc1cccnc1Br)c1ccc(F)cc1 ZINC000813618525 660058215 /nfs/dbraw/zinc/05/82/15/660058215.db2.gz LZNXAGFYKZYYBQ-OAHLLOKOSA-N 1 0 380.261 2.945 20 0 GFADRO C[N@@H+]1CC[C@]2(CCN(S(=O)(=O)/C=C/c3cccc(Br)c3)C2)C1 ZINC000813760238 660063415 /nfs/dbraw/zinc/06/34/15/660063415.db2.gz PNYAQCZAANJPBH-YKXBDCQTSA-N 1 0 385.327 2.777 20 0 GFADRO C[N@@H+]1CC[C@@]2(CCN(S(=O)(=O)/C=C/c3ccccc3Br)C2)C1 ZINC000813760055 660063431 /nfs/dbraw/zinc/06/34/31/660063431.db2.gz MDMUNRFDSOQCLI-HKUPYCBJSA-N 1 0 385.327 2.777 20 0 GFADRO Brc1cccc2c1C[C@H]([NH2+]C[C@@H]1COC3(CCOCC3)O1)CC2 ZINC000815135059 660114214 /nfs/dbraw/zinc/11/42/14/660114214.db2.gz IFVVPHBMNCZPJN-HUUCEWRRSA-N 1 0 382.298 2.818 20 0 GFADRO CC(C)[C@@H]([NH2+]C[C@@H](O)COc1cccc(Br)c1)C1(CO)CCC1 ZINC000815255183 660118478 /nfs/dbraw/zinc/11/84/78/660118478.db2.gz REBWISCDMUGKHG-NVXWUHKLSA-N 1 0 386.330 2.966 20 0 GFADRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1cn2c(Br)cnc2s1 ZINC000816649508 660164121 /nfs/dbraw/zinc/16/41/21/660164121.db2.gz ANZARFZUQUWEOS-MNOVXSKESA-N 1 0 383.315 2.857 20 0 GFADRO OC[C@]1([C@@H]([NH2+]Cc2ccccc2I)C2CC2)CCCO1 ZINC000816666566 660164675 /nfs/dbraw/zinc/16/46/75/660164675.db2.gz QCRAWRPRLAFFRO-HOTGVXAUSA-N 1 0 387.261 2.701 20 0 GFADRO C[N@@H+]1CC[C@@]2(CCN(C(=O)c3cnn(-c4ccccc4)c3Br)C2)C1 ZINC000817043116 660177324 /nfs/dbraw/zinc/17/73/24/660177324.db2.gz BTRJCWFOBFEITO-GOSISDBHSA-N 1 0 389.297 2.803 20 0 GFADRO CC[NH+]1CCC(N2CCCN(c3nc(Cl)c(C(=O)OC)s3)CC2)CC1 ZINC000817125258 660179886 /nfs/dbraw/zinc/17/98/86/660179886.db2.gz MPQBFQWYDKUCDX-UHFFFAOYSA-N 1 0 386.949 2.580 20 0 GFADRO CC(C)(CNC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21)Sc1ccc(Br)cc1 ZINC000841840834 661316267 /nfs/dbraw/zinc/31/62/67/661316267.db2.gz QBQJQQKMKGRXLT-WDNDVIMCSA-N 1 0 384.343 2.837 20 0 GFADRO [NH3+]C1(CNC(=O)N[C@@H]2CC[C@H]3SCCS[C@@H]23)C2CC3CC(C2)CC1C3 ZINC000841867661 661316789 /nfs/dbraw/zinc/31/67/89/661316789.db2.gz LNMQPJBNTPGURC-AYLMVFLFSA-N 1 0 381.611 2.819 20 0 GFADRO CN(C[C@H](O)c1ccccc1Br)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000842015697 661319997 /nfs/dbraw/zinc/31/99/97/661319997.db2.gz PAPOTFBZEUJJNW-OEUWWYETSA-N 1 0 396.329 2.512 20 0 GFADRO O=S(=O)(c1c(F)c(F)c(F)c(F)c1F)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000842482444 661341379 /nfs/dbraw/zinc/34/13/79/661341379.db2.gz RVSNCNDDWQCQLZ-RKDXNWHRSA-N 1 0 384.370 2.535 20 0 GFADRO C[NH2+]C[C@@H](C)c1noc([C@H]2CC(=O)N(c3ccccc3Br)C2)n1 ZINC000842579172 661344127 /nfs/dbraw/zinc/34/41/27/661344127.db2.gz LVHHFSHQIJEMMU-MNOVXSKESA-N 1 0 379.258 2.676 20 0 GFADRO COc1c(F)cc(Br)cc1S(=O)(=O)NCC1([NH3+])CCCCC1 ZINC000842673965 661348318 /nfs/dbraw/zinc/34/83/18/661348318.db2.gz UOBAKXDUDAEHNX-UHFFFAOYSA-N 1 0 395.294 2.537 20 0 GFADRO CN(Cc1nc([C@H]2CCC[NH2+]C2)no1)C(=O)c1ccc(Br)s1 ZINC000842670873 661348386 /nfs/dbraw/zinc/34/83/86/661348386.db2.gz UDNRKGMVBGGONM-VIFPVBQESA-N 1 0 385.287 2.633 20 0 GFADRO CNC(=O)[C@@H](C[NH2+]Cc1c(Cl)nc(Cl)n1C)Cc1ccc(F)cc1C ZINC000842722553 661351204 /nfs/dbraw/zinc/35/12/04/661351204.db2.gz QFIXNNDPCJCXFV-GFCCVEGCSA-N 1 0 387.286 2.869 20 0 GFADRO [NH3+]C1C[C@H]2CCC[C@@H](C1)N2S(=O)(=O)c1ccc(OCC(F)(F)F)cc1 ZINC000842740936 661351848 /nfs/dbraw/zinc/35/18/48/661351848.db2.gz ORIDOANNNDAWRO-YHWZYXNKSA-N 1 0 378.416 2.661 20 0 GFADRO COC(=O)c1cc(S(=O)(=O)N2CCCC[C@H]2CC[NH3+])c(Cl)cc1Cl ZINC000842860715 661357439 /nfs/dbraw/zinc/35/74/39/661357439.db2.gz WPALTYRXGYLPIJ-JTQLQIEISA-N 1 0 395.308 2.672 20 0 GFADRO O=S(=O)(N[C@H]1C[NH2+]CCC1(F)F)c1ccc(SC(F)(F)F)cc1 ZINC000842891145 661358844 /nfs/dbraw/zinc/35/88/44/661358844.db2.gz ZWWRIFKQUNHFJI-JTQLQIEISA-N 1 0 376.372 2.574 20 0 GFADRO CC(C)COC[C@@H](O)C[NH2+]C[C@](C)(O)c1ccc(Br)cc1Cl ZINC000843064354 661365838 /nfs/dbraw/zinc/36/58/38/661365838.db2.gz ADMZNWJQSGDMFI-BBRMVZONSA-N 1 0 394.737 2.933 20 0 GFADRO C[C@@H]([NH2+]CCS(=O)(=O)c1cccc(Br)c1)[C@@H](O)c1ccccc1 ZINC000843064458 661365842 /nfs/dbraw/zinc/36/58/42/661365842.db2.gz YRKQWTDCFFOFAR-CXAGYDPISA-N 1 0 398.322 2.935 20 0 GFADRO C[C@@](O)(C[NH2+]C[C@@H](O)COCC1CC1)c1ccc(Br)cc1Cl ZINC000843068029 661365999 /nfs/dbraw/zinc/36/59/99/661365999.db2.gz IXWLMCXIHOCXNT-CZUORRHYSA-N 1 0 392.721 2.687 20 0 GFADRO C[C@@](O)(C[NH2+]C[C@@H](O)Cc1ccccc1)c1ccc(Br)cc1F ZINC000843071496 661366318 /nfs/dbraw/zinc/36/63/18/661366318.db2.gz KEVFMKPXZLWZTP-MAUKXSAKSA-N 1 0 382.273 2.989 20 0 GFADRO COc1cc(OC)cc([C@@H](O)C[NH2+]C[C@@H](O)c2cccc(Br)c2)c1 ZINC000843071081 661366392 /nfs/dbraw/zinc/36/63/92/661366392.db2.gz YLKZXQNVNHAIAU-MSOLQXFVSA-N 1 0 396.281 2.823 20 0 GFADRO Cc1ccccc1[C@H](O)C[NH2+]C[C@H](O)COc1ccc(Br)cc1 ZINC000843073347 661366536 /nfs/dbraw/zinc/36/65/36/661366536.db2.gz HCZJTIDTQBIEQO-MAUKXSAKSA-N 1 0 380.282 2.820 20 0 GFADRO O[C@H](C[NH2+]C[C@@H](O)c1ccc(Cl)c(F)c1)COc1ccc(F)c(F)c1 ZINC000843073337 661366554 /nfs/dbraw/zinc/36/65/54/661366554.db2.gz VDVQQRPDUWQPNX-PIGZYNQJSA-N 1 0 375.774 2.820 20 0 GFADRO Cc1ccc([C@@H](O)C[NH2+]C[C@@H](O)COc2ccccc2Br)cc1 ZINC000843098071 661367841 /nfs/dbraw/zinc/36/78/41/661367841.db2.gz UUEXNJQZXKVLPL-WBVHZDCISA-N 1 0 380.282 2.820 20 0 GFADRO Cc1ccc([C@H](O)C[NH2+]C[C@H](O)COc2ccccc2Br)cc1 ZINC000843098062 661367853 /nfs/dbraw/zinc/36/78/53/661367853.db2.gz UUEXNJQZXKVLPL-DOTOQJQBSA-N 1 0 380.282 2.820 20 0 GFADRO OC[C@H](C[C@H](O)c1ccccc1)[NH2+]C[C@@H](O)c1cccc(Br)c1 ZINC000843104014 661368085 /nfs/dbraw/zinc/36/80/85/661368085.db2.gz CZOGHRNKBMBOLF-OKZBNKHCSA-N 1 0 380.282 2.557 20 0 GFADRO O[C@@H](C[NH2+]C[C@@H](O)c1ccc(F)cc1)COc1cccc(Br)c1 ZINC000843112220 661368744 /nfs/dbraw/zinc/36/87/44/661368744.db2.gz XKTAHYQAPQHNBR-DOTOQJQBSA-N 1 0 384.245 2.651 20 0 GFADRO OCC1([C@@H]([NH2+]C[C@@H](O)c2ccccc2Br)C2CC2)CCOCC1 ZINC000843115759 661369454 /nfs/dbraw/zinc/36/94/54/661369454.db2.gz RRTFXVKODAPDPO-SJORKVTESA-N 1 0 384.314 2.640 20 0 GFADRO OCC1([C@@H]([NH2+]C[C@H](O)c2cccc(Br)c2)C2CC2)CCOCC1 ZINC000843116541 661369601 /nfs/dbraw/zinc/36/96/01/661369601.db2.gz ZBWRMSAIQNFFBK-IRXDYDNUSA-N 1 0 384.314 2.640 20 0 GFADRO O[C@H](C[NH2+]C[C@H](O)c1cccc(Br)c1)COCc1ccccc1F ZINC000843117072 661369674 /nfs/dbraw/zinc/36/96/74/661369674.db2.gz ZEVXLSPWPKSVFX-AEFFLSMTSA-N 1 0 398.272 2.789 20 0 GFADRO O[C@H](C[NH2+][C@H]1COc2ccccc2[C@H]1O)c1ccc(F)c(Br)c1 ZINC000843118109 661369794 /nfs/dbraw/zinc/36/97/94/661369794.db2.gz WNRWIBZEUKPEGP-ZMSDIMECSA-N 1 0 382.229 2.706 20 0 GFADRO O=C1Nc2cc(Cl)ccc2S[C@@H]1Cc1nc(CC2CC[NH2+]CC2)no1 ZINC000843133225 661370303 /nfs/dbraw/zinc/37/03/03/661370303.db2.gz PMYIQZDZRRFNJG-CQSZACIVSA-N 1 0 378.885 2.921 20 0 GFADRO Cn1nc2cc(Br)ccc2c1-c1nc(CC2CC[NH2+]CC2)no1 ZINC000843135741 661370590 /nfs/dbraw/zinc/37/05/90/661370590.db2.gz FBIRMVFRKMCYSV-UHFFFAOYSA-N 1 0 376.258 2.928 20 0 GFADRO CC(C)[C@H]([NH3+])c1noc(-c2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)n1 ZINC000843153989 661371107 /nfs/dbraw/zinc/37/11/07/661371107.db2.gz WOTMTMCUCJHUQX-AWEZNQCLSA-N 1 0 384.889 2.830 20 0 GFADRO [NH3+][C@@H](Cc1nc(CS(=O)(=O)c2cc(Cl)ccc2Cl)no1)C1CC1 ZINC000843201349 661371977 /nfs/dbraw/zinc/37/19/77/661371977.db2.gz ZOSZVEGVAAPSAI-NSHDSACASA-N 1 0 376.265 2.630 20 0 GFADRO Brc1cc(Cc2noc(CC3CC[NH2+]CC3)n2)cc2c1OCCO2 ZINC000843203917 661372368 /nfs/dbraw/zinc/37/23/68/661372368.db2.gz XYESANBDUVDKDY-UHFFFAOYSA-N 1 0 394.269 2.736 20 0 GFADRO C[C@]1(c2nc(COc3ccc(I)cc3)no2)CC[NH2+]C1 ZINC000843227335 661373829 /nfs/dbraw/zinc/37/38/29/661373829.db2.gz YZGSORHWXUMOKB-AWEZNQCLSA-N 1 0 385.205 2.504 20 0 GFADRO [NH3+]C1(Cc2nc(-c3n[nH]c(-c4cccc(Br)c4)n3)no2)CCC1 ZINC000843228927 661374199 /nfs/dbraw/zinc/37/41/99/661374199.db2.gz NUDAFRNQMMCMDW-UHFFFAOYSA-N 1 0 375.230 2.708 20 0 GFADRO [NH3+]CCCCCCNC(=O)C(=O)N1CCSC[C@H]1c1ccc(Cl)cc1 ZINC000843262164 661374796 /nfs/dbraw/zinc/37/47/96/661374796.db2.gz ONMBAYGBDGGWLT-INIZCTEOSA-N 1 0 383.945 2.592 20 0 GFADRO OCCCC[NH+]1CCN(Cc2cc(OC(F)F)ccc2Br)CC1 ZINC000843396678 661379515 /nfs/dbraw/zinc/37/95/15/661379515.db2.gz HRAVXFBWVXWQOS-UHFFFAOYSA-N 1 0 393.272 2.941 20 0 GFADRO COCC[C@@H](NC(=O)CO[C@H]1CCC[NH2+]C1)c1ccc(Cl)c(Cl)c1 ZINC000843500187 661383478 /nfs/dbraw/zinc/38/34/78/661383478.db2.gz QXBOMCHDNLDWCP-XJKSGUPXSA-N 1 0 375.296 2.956 20 0 GFADRO [NH3+]CCCCCCNC(=O)c1ncc(Br)cc1Br ZINC000843511635 661383718 /nfs/dbraw/zinc/38/37/18/661383718.db2.gz PRYYNLVDLQDYEA-UHFFFAOYSA-N 1 0 379.096 2.856 20 0 GFADRO C[C@@H](CNC(=O)C(F)(F)c1cccc(Cl)c1Cl)N1CC[NH+](C)CC1 ZINC000843798741 661392953 /nfs/dbraw/zinc/39/29/53/661392953.db2.gz ZJBZEWSTMFQWON-NSHDSACASA-N 1 0 380.266 2.837 20 0 GFADRO CCCN(C(=O)c1cn(-c2ccccc2Br)nn1)[C@H]1CC[N@H+](C)C1 ZINC000843991735 661399579 /nfs/dbraw/zinc/39/95/79/661399579.db2.gz LSVHCABYBSSDET-ZDUSSCGKSA-N 1 0 392.301 2.586 20 0 GFADRO C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)NCCC[C@H]1CC1(Cl)Cl ZINC000844553100 661427628 /nfs/dbraw/zinc/42/76/28/661427628.db2.gz UNDJFMAULLIABQ-ZDUSSCGKSA-N 1 0 387.311 2.943 20 0 GFADRO C[NH+](C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)OC[C@@]1(C)CC1(Cl)Cl ZINC000845240138 661462877 /nfs/dbraw/zinc/46/28/77/661462877.db2.gz SIEVLZCTWURUBR-IAQYHMDHSA-N 1 0 383.316 2.959 20 0 GFADRO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)NCCC[C@@H]2CC2(Cl)Cl)CC1 ZINC000845668691 661486590 /nfs/dbraw/zinc/48/65/90/661486590.db2.gz YNDCFMFFWJJVKM-HZPDHXFCSA-N 1 0 391.387 2.772 20 0 GFADRO O=C([C@@H]1CCOc2ccc(Br)cc21)N1CCC2(C1)CC[NH2+]CC2 ZINC000846676229 661561603 /nfs/dbraw/zinc/56/16/03/661561603.db2.gz VRVTYAIJIRZJLC-CQSZACIVSA-N 1 0 379.298 2.917 20 0 GFADRO C[C@H]1CCCN(C(=O)c2ccc(S(=O)(=O)C(F)(F)F)cc2)[C@H]1CC[NH3+] ZINC000846694077 661561949 /nfs/dbraw/zinc/56/19/49/661561949.db2.gz MFPNWAWVHNUZQZ-FZMZJTMJSA-N 1 0 378.416 2.570 20 0 GFADRO C[C@@H]1CCCN(C(=O)/C=C\c2ccc(I)o2)[C@H]1CC[NH3+] ZINC000846695174 661562154 /nfs/dbraw/zinc/56/21/54/661562154.db2.gz SVDCWPDXAONEMG-QGSKFPASSA-N 1 0 388.249 2.873 20 0 GFADRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)NCC[C@@]1(C)C[C@]1(F)Cl ZINC000846727313 661563188 /nfs/dbraw/zinc/56/31/88/661563188.db2.gz SKDDSWKZRZIDBU-FHLIZLRMSA-N 1 0 375.916 2.578 20 0 GFADRO CC1(C)C(=O)N[C@H]1C1CC[NH+](C[C@@H](O)c2ccc(Br)cc2)CC1 ZINC000846928409 661570740 /nfs/dbraw/zinc/57/07/40/661570740.db2.gz FWEADPNFQYECOV-CVEARBPZSA-N 1 0 381.314 2.719 20 0 GFADRO C[NH+](C)CCOc1cccc(CNC(=O)c2cnc(F)c(Br)c2)c1 ZINC000847431513 661592324 /nfs/dbraw/zinc/59/23/24/661592324.db2.gz XWIJMHZWHAEPNQ-UHFFFAOYSA-N 1 0 396.260 2.854 20 0 GFADRO CN1CC[NH+]([C@H]2CC[C@@H](NC(=O)c3nc(Cl)sc3Cl)CC2)CC1 ZINC000847737347 661608077 /nfs/dbraw/zinc/60/80/77/661608077.db2.gz UMRCIZDTQLDSPJ-PHIMTYICSA-N 1 0 377.341 2.738 20 0 GFADRO C[N@@H+]1CC[C@H](CCOC(=O)Cc2cc3c(cc2Br)OCCO3)C1 ZINC000847821173 661611936 /nfs/dbraw/zinc/61/19/36/661611936.db2.gz AQQVEVSVTMWUPP-GFCCVEGCSA-N 1 0 384.270 2.648 20 0 GFADRO C[N@@H+]1CC[C@H](CCOC(=O)Cc2csc(NC(=O)c3cccs3)n2)C1 ZINC000847829705 661612623 /nfs/dbraw/zinc/61/26/23/661612623.db2.gz YNRMQAFPMGRVEW-GFCCVEGCSA-N 1 0 379.507 2.884 20 0 GFADRO O=S(=O)(N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccc2nc(Cl)cnc2c1 ZINC000848508112 661658139 /nfs/dbraw/zinc/65/81/39/661658139.db2.gz HTQALEBAFILOJT-GDBMZVCRSA-N 1 0 380.901 2.578 20 0 GFADRO C[C@@H]([NH2+]C[C@H]1CN(C2CC2)C(=O)O1)c1ccc(I)cc1 ZINC000848571067 661665683 /nfs/dbraw/zinc/66/56/83/661665683.db2.gz OTFIYDMMVSRALB-YGRLFVJLSA-N 1 0 386.233 2.925 20 0 GFADRO [NH3+]C[C@@H](NC(=O)N1CCC([C@H](O)c2ccc(Cl)cc2)CC1)C(F)(F)F ZINC000848595019 661667247 /nfs/dbraw/zinc/66/72/47/661667247.db2.gz JBNBUYJOSGZNLI-ZIAGYGMSSA-N 1 0 379.810 2.685 20 0 GFADRO Cc1cc(Br)ccc1CNC(=[NH2+])NCCNC(=O)OC(C)(C)C ZINC000849111790 661692765 /nfs/dbraw/zinc/69/27/65/661692765.db2.gz FTJPMIIAWNAOLU-UHFFFAOYSA-N 1 0 385.306 2.896 20 0 GFADRO CC(C)(C)OC(=O)NCCNC(=[NH2+])NCc1cc(Br)cs1 ZINC000849111548 661692782 /nfs/dbraw/zinc/69/27/82/661692782.db2.gz SMCZIZNZRUBWFO-UHFFFAOYSA-N 1 0 377.308 2.649 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@@H](NS(=O)(=O)c2cc(Br)cnc2Cl)C1 ZINC000849419795 661720574 /nfs/dbraw/zinc/72/05/74/661720574.db2.gz PBFQVZGTMYPWTL-SNVBAGLBSA-N 1 0 396.738 2.649 20 0 GFADRO Cn1cc([C@H]2C[N@H+](C)CC[C@H]2C(=O)N2CCc3sc(Cl)cc3C2)cn1 ZINC000849606577 661735187 /nfs/dbraw/zinc/73/51/87/661735187.db2.gz PUGMFUPRIBFJMP-HUUCEWRRSA-N 1 0 378.929 2.755 20 0 GFADRO Cc1nn(-c2ccccc2)c(C)c1C[NH2+]CCS(=O)(=O)CC(F)(F)F ZINC000850363845 661772495 /nfs/dbraw/zinc/77/24/95/661772495.db2.gz KLQKEPQBDDHWGW-UHFFFAOYSA-N 1 0 375.416 2.556 20 0 GFADRO Cn1c(Cl)nc(Cl)c1CNC[C@@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000850414178 661775424 /nfs/dbraw/zinc/77/54/24/661775424.db2.gz LKDWCSDSJONIPY-OAHLLOKOSA-N 1 0 382.339 2.633 20 0 GFADRO C[C@@H]([NH2+]CCNS(=O)(=O)Cc1ccccc1)c1cncc(Br)c1 ZINC000850423805 661775660 /nfs/dbraw/zinc/77/56/60/661775660.db2.gz BNPNRVRGAKENMP-CYBMUJFWSA-N 1 0 398.326 2.614 20 0 GFADRO C[C@H]([NH2+]CC(C)(C)[C@H]1COCC12OCCO2)c1cncc(Br)c1 ZINC000850474077 661777755 /nfs/dbraw/zinc/77/77/55/661777755.db2.gz JTEJNADOPDNMRO-SWLSCSKDSA-N 1 0 385.302 2.910 20 0 GFADRO COc1ccc([C@@H](C)[C@H](C)[NH2+]CCS(=O)(=O)CC(F)(F)F)cc1OC ZINC000850517829 661780112 /nfs/dbraw/zinc/78/01/12/661780112.db2.gz DMAMUBIGDLYKID-RYUDHWBXSA-N 1 0 383.432 2.763 20 0 GFADRO COc1ccc(C[C@@H](C)[NH2+]CCS(=O)(=O)CC(F)(F)F)c(C)c1OC ZINC000850519002 661780569 /nfs/dbraw/zinc/78/05/69/661780569.db2.gz WMOLPBWYWXRRDL-LLVKDONJSA-N 1 0 383.432 2.510 20 0 GFADRO O=S(=O)(c1ccc(C(F)(F)F)cn1)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000850588573 661782365 /nfs/dbraw/zinc/78/23/65/661782365.db2.gz APICCHSDYXMKAC-CYBMUJFWSA-N 1 0 377.432 2.501 20 0 GFADRO CCOP(=O)(OCC)[C@H](O)C[N@H+](C)[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000851711060 661828668 /nfs/dbraw/zinc/82/86/68/661828668.db2.gz VGKXDOUKWKOARR-CJNGLKHVSA-N 1 0 393.442 2.667 20 0 GFADRO CCC[N@H+](CCn1cnc(Br)n1)C[C@H]1COc2ccccc2O1 ZINC000851725485 661829302 /nfs/dbraw/zinc/82/93/02/661829302.db2.gz AQOFOBLPDYNQAH-ZDUSSCGKSA-N 1 0 381.274 2.593 20 0 GFADRO NC(=O)[C@@](O)(C[N@@H+]1CCC[C@@H]1c1ccc(Br)cc1)c1ccccc1 ZINC000851732204 661829602 /nfs/dbraw/zinc/82/96/02/661829602.db2.gz LVJCITYLJKTGBE-IEBWSBKVSA-N 1 0 389.293 2.959 20 0 GFADRO CNS(=O)(=O)c1ccc(C[N@@H+]2CCC[C@H]2C[C@H](O)c2cccs2)cc1 ZINC000851802172 661832753 /nfs/dbraw/zinc/83/27/53/661832753.db2.gz DMHJALAZHSYHKR-RDJZCZTQSA-N 1 0 380.535 2.744 20 0 GFADRO Cc1ccc(N)cc1S(=O)(=O)NC[C@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000851800777 661832796 /nfs/dbraw/zinc/83/27/96/661832796.db2.gz QUXRMRMCCJMGOP-OAHLLOKOSA-N 1 0 381.929 2.854 20 0 GFADRO Cc1ccc(N)cc1S(=O)(=O)NC[C@@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000851800776 661832824 /nfs/dbraw/zinc/83/28/24/661832824.db2.gz QUXRMRMCCJMGOP-HNNXBMFYSA-N 1 0 381.929 2.854 20 0 GFADRO CCOP(=O)(OCC)[C@@H](O)C[NH+]1CCC([C@](C)(O)C(F)(F)F)CC1 ZINC000851942811 661846701 /nfs/dbraw/zinc/84/67/01/661846701.db2.gz VNGVNAJPZNBFHF-OLZOCXBDSA-N 1 0 377.340 2.596 20 0 GFADRO CC(C)(C)OC(=O)NC[C@H]([NH2+]CCn1cnc(Br)n1)C(C)(C)C ZINC000852011048 661849041 /nfs/dbraw/zinc/84/90/41/661849041.db2.gz ZHFDVIXETYMXIJ-NSHDSACASA-N 1 0 390.326 2.570 20 0 GFADRO Brc1ncn(CC[N@@H+]2C[C@H](c3ccccc3)[C@@H]3COCC[C@@H]32)n1 ZINC000852042527 661850431 /nfs/dbraw/zinc/85/04/31/661850431.db2.gz XKYIVCPNHCQRSU-PMPSAXMXSA-N 1 0 377.286 2.545 20 0 GFADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)N1CCc2ccc(Cl)c(Cl)c2C1 ZINC000852062239 661851016 /nfs/dbraw/zinc/85/10/16/661851016.db2.gz BEJHMMUFQMYHSE-KBPBESRZSA-N 1 0 384.307 2.924 20 0 GFADRO COC1CC[NH+](C2(CNC(=O)NCCC3SCCS3)CCCC2)CC1 ZINC000852078719 661851748 /nfs/dbraw/zinc/85/17/48/661851748.db2.gz GNFRGMWJRBGQGD-UHFFFAOYSA-N 1 0 387.615 2.905 20 0 GFADRO NC(=O)[C@@](O)(C[N@@H+]1CC[C@H](c2cccc(Br)c2)C1)c1ccccc1 ZINC000852136552 661854097 /nfs/dbraw/zinc/85/40/97/661854097.db2.gz ZBNHKSAOCWGSIX-HNAYVOBHSA-N 1 0 389.293 2.612 20 0 GFADRO CN(C[C@H](O)C[NH2+][C@@H](CO)c1cccc(Cl)c1Cl)C(=O)OC(C)(C)C ZINC000852678315 661870959 /nfs/dbraw/zinc/87/09/59/661870959.db2.gz AQGJCEBNUGXRRV-RISCZKNCSA-N 1 0 393.311 2.844 20 0 GFADRO C[NH+](C)CCC[C@H]1CN(C[C@@H](O)c2ccc(F)c(Br)c2)CCO1 ZINC000852761521 661873828 /nfs/dbraw/zinc/87/38/28/661873828.db2.gz WZQYQHJOSDAQCY-WMLDXEAASA-N 1 0 389.309 2.664 20 0 GFADRO COC(=O)NC1CC[NH+](CCC(=O)Nc2ccc(Br)cc2)CC1 ZINC000852769984 661873979 /nfs/dbraw/zinc/87/39/79/661873979.db2.gz ZSDWSOYHIPOGQJ-UHFFFAOYSA-N 1 0 384.274 2.598 20 0 GFADRO C[C@]1(C(=O)NC[C@@H]([NH3+])c2ccccc2)CC1(Br)Br ZINC000852796436 661874505 /nfs/dbraw/zinc/87/45/05/661874505.db2.gz SCDPODTTZBHJAJ-ZYHUDNBSSA-N 1 0 376.092 2.699 20 0 GFADRO C[NH2+]CC1CCN(C(=O)c2cnn(-c3ccccc3)c2Br)CC1 ZINC000852796138 661874571 /nfs/dbraw/zinc/87/45/71/661874571.db2.gz PJEGAZQMSXMLHU-UHFFFAOYSA-N 1 0 377.286 2.706 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)c2cnn(-c3ccccc3)c2Br)C1 ZINC000852800318 661874683 /nfs/dbraw/zinc/87/46/83/661874683.db2.gz XKTMGOZKHFBGEQ-CHWSQXEVSA-N 1 0 377.286 2.834 20 0 GFADRO O=C(C=C1CC[NH2+]CC1)N1CCN(C(=O)c2c(Cl)cccc2Cl)CC1 ZINC000852819961 661875243 /nfs/dbraw/zinc/87/52/43/661875243.db2.gz KEPGSZVHDHEOQZ-UHFFFAOYSA-N 1 0 382.291 2.588 20 0 GFADRO COc1ccc(CCC(=O)N[C@@H]2C[NH2+]CCC2(F)F)c(Br)c1 ZINC000852832817 661875454 /nfs/dbraw/zinc/87/54/54/661875454.db2.gz RLNIIUVOPNWRAJ-CYBMUJFWSA-N 1 0 377.229 2.504 20 0 GFADRO CCCCOCCN(C(=O)C1=NO[C@@H](C[NH3+])C1)c1cccc(Br)c1 ZINC000852842639 661875784 /nfs/dbraw/zinc/87/57/84/661875784.db2.gz DJNLPRMBCWIWEU-OAHLLOKOSA-N 1 0 398.301 2.702 20 0 GFADRO CC[C@H](Cc1ccc(Br)cc1)NC(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC000852869060 661875840 /nfs/dbraw/zinc/87/58/40/661875840.db2.gz ZVSWBYLLSWIYBU-CYBMUJFWSA-N 1 0 377.286 2.569 20 0 GFADRO C[C@@H]1CCN(C(=O)c2cnn(-c3ccccc3)c2Br)C[C@H]1C[NH3+] ZINC000852891540 661876460 /nfs/dbraw/zinc/87/64/60/661876460.db2.gz SSCYJAUDUGZFHP-CHWSQXEVSA-N 1 0 377.286 2.692 20 0 GFADRO Cc1nn(C)c(Br)c1C(=O)Nc1nc(C2CC[NH2+]CC2)cs1 ZINC000852890687 661876503 /nfs/dbraw/zinc/87/65/03/661876503.db2.gz LGMAJBVVSCLMLS-UHFFFAOYSA-N 1 0 384.303 2.667 20 0 GFADRO O=C(C=C1CC[NH2+]CC1)N1CCN(Cc2cc(Br)ccc2F)CC1 ZINC000852891519 661876516 /nfs/dbraw/zinc/87/65/16/661876516.db2.gz SCSHTAUNRBOWQE-UHFFFAOYSA-N 1 0 396.304 2.542 20 0 GFADRO CC(C)C[C@H]([NH3+])C(=O)N1CC[C@@]2(C)[C@@H](C1)C2(Br)Br ZINC000852901455 661876797 /nfs/dbraw/zinc/87/67/97/661876797.db2.gz IQZTZEKZLXGJNF-UMNHJUIQSA-N 1 0 382.140 2.714 20 0 GFADRO COc1ccccc1[C@H](O)C[NH2+]C[C@H](O)COc1cccc(Br)c1 ZINC000853134669 661883163 /nfs/dbraw/zinc/88/31/63/661883163.db2.gz TZNMDOFEDPSIPP-WMLDXEAASA-N 1 0 396.281 2.521 20 0 GFADRO COc1cccc(CN(CC[NH+](C)C)c2ncnc(F)c2Br)c1 ZINC000853532009 661891248 /nfs/dbraw/zinc/89/12/48/661891248.db2.gz OTHYZOQBFGFYAC-UHFFFAOYSA-N 1 0 383.265 2.955 20 0 GFADRO Cc1cc(N2CC[C@@]3(C)[C@@H](C2)C3(Br)Br)nc(N)[nH+]1 ZINC000853768385 661899924 /nfs/dbraw/zinc/89/99/24/661899924.db2.gz CKNISOLHPZRETL-KCJUWKMLSA-N 1 0 376.096 2.700 20 0 GFADRO COc1cc(Br)ccc1-c1noc(-c2c[nH]nc2[C@@H]2CC[NH2+]C2)n1 ZINC000854148480 661916630 /nfs/dbraw/zinc/91/66/30/661916630.db2.gz QFMMEBWKBJSKLG-SECBINFHSA-N 1 0 390.241 2.975 20 0 GFADRO O=C(NCCC[C@H]1CC1(Cl)Cl)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000854220944 661919432 /nfs/dbraw/zinc/91/94/32/661919432.db2.gz CLYSQDQBEBOYJC-LSDHHAIUSA-N 1 0 378.344 2.857 20 0 GFADRO CN(C[C@@H](O)c1ccccc1Br)C(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000854244999 661920523 /nfs/dbraw/zinc/92/05/23/661920523.db2.gz ZZZHGGYEBKKREP-XJKSGUPXSA-N 1 0 398.345 2.997 20 0 GFADRO CC(C)C[C@H](NC(=O)CC[C@@H]1CC1(Cl)Cl)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000854632219 661944688 /nfs/dbraw/zinc/94/46/88/661944688.db2.gz GVWHQURSABMMDV-ILXRZTDVSA-N 1 0 392.371 2.654 20 0 GFADRO C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1cc(=O)c2cc(Br)ccc2o1 ZINC000854651456 661945536 /nfs/dbraw/zinc/94/55/36/661945536.db2.gz KGLZUHWMQFPZML-GWCFXTLKSA-N 1 0 379.254 2.720 20 0 GFADRO CSc1ccc([C@H](CNC(=O)c2cc(Br)n[nH]2)[NH+](C)C)cc1 ZINC000854671901 661947373 /nfs/dbraw/zinc/94/73/73/661947373.db2.gz VVQZFFPWRCKSLA-ZDUSSCGKSA-N 1 0 383.315 2.927 20 0 GFADRO COCC[N@@H+]1CCC[C@@H](NC(=O)Cc2sc(SC(F)(F)F)nc2C)C1 ZINC000854980911 661964211 /nfs/dbraw/zinc/96/42/11/661964211.db2.gz IGCFKZFSNDDHRI-LLVKDONJSA-N 1 0 397.488 2.833 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)[C@@]1(C)CC1(Br)Br ZINC000855162257 661974075 /nfs/dbraw/zinc/97/40/75/661974075.db2.gz IEASNJODYOUOQU-JOYOIKCWSA-N 1 0 382.140 2.872 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)[C@@]2(C)CC2(Br)Br)C1 ZINC000855286737 661983138 /nfs/dbraw/zinc/98/31/38/661983138.db2.gz WPUUTNUCBHXADP-JOYOIKCWSA-N 1 0 382.140 2.872 20 0 GFADRO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)COc1ccc(C=O)cc1Br ZINC000855898595 662011970 /nfs/dbraw/zinc/01/19/70/662011970.db2.gz QRPJBFZBCJPXFE-CQSZACIVSA-N 1 0 397.313 2.877 20 0 GFADRO C[NH+](C)C[C@@H]1COC2(CCCC2)CN1C(=O)c1ccnc(Br)c1 ZINC000856411300 662032553 /nfs/dbraw/zinc/03/25/53/662032553.db2.gz TWWPAVIZSGXXKB-CQSZACIVSA-N 1 0 382.302 2.560 20 0 GFADRO C[NH+](C)CCC[C@H]1CN(C(=O)CSc2nc3ccccc3s2)CCO1 ZINC000856428089 662033357 /nfs/dbraw/zinc/03/33/57/662033357.db2.gz OAIVHYBVLPYKEV-AWEZNQCLSA-N 1 0 379.551 2.958 20 0 GFADRO CC[N@H+](C)Cc1cc(O[C@H]2CCN(c3ncncc3Br)C2)ccn1 ZINC000856533750 662036938 /nfs/dbraw/zinc/03/69/38/662036938.db2.gz MAAGIPCBRQKGPU-HNNXBMFYSA-N 1 0 392.301 2.744 20 0 GFADRO CC[N@H+](C)Cc1cc(O[C@@H]2CCN(C(=O)c3csc(Cl)n3)C2)ccn1 ZINC000856629003 662037723 /nfs/dbraw/zinc/03/77/23/662037723.db2.gz GPKHODNXJJVMRX-CQSZACIVSA-N 1 0 380.901 2.937 20 0 GFADRO C[C@H]([NH3+])CCNC(=O)N1CCC[C@H]1c1ccc(I)cc1 ZINC000857111778 662063676 /nfs/dbraw/zinc/06/36/76/662063676.db2.gz VYEFXJXDKZJVEE-FZMZJTMJSA-N 1 0 387.265 2.875 20 0 GFADRO C[C@H]1CCC[N@@H+]1CCNC(=O)[C@@H]1CCO[C@H]1c1cncc(Br)c1 ZINC000857182480 662066998 /nfs/dbraw/zinc/06/69/98/662066998.db2.gz XWSGGRHYXALYBW-MAZHCROVSA-N 1 0 382.302 2.522 20 0 GFADRO CC[NH+](CC)CCCNC(=O)/C=C/c1ccc(I)o1 ZINC000857618857 662083782 /nfs/dbraw/zinc/08/37/82/662083782.db2.gz HMMQKZWTTNUMOW-VQHVLOKHSA-N 1 0 376.238 2.746 20 0 GFADRO CN(C(=O)c1cc(Br)c[nH]c1=O)c1ccc(OCC[NH+](C)C)cc1 ZINC000857711642 662088190 /nfs/dbraw/zinc/08/81/90/662088190.db2.gz XTGDQBJJPUQCTL-UHFFFAOYSA-N 1 0 394.269 2.767 20 0 GFADRO Cn1cc(C[NH2+]CCCC(=O)N2Cc3ccccc3C2)c(Br)n1 ZINC000858133935 662100446 /nfs/dbraw/zinc/10/04/46/662100446.db2.gz CVUNZLHOMYTGTF-UHFFFAOYSA-N 1 0 377.286 2.595 20 0 GFADRO COC(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)cc1Cl ZINC000858614146 662116327 /nfs/dbraw/zinc/11/63/27/662116327.db2.gz DOAJWPDRBCITKR-WOPDTQHZSA-N 1 0 389.905 2.512 20 0 GFADRO C[NH+]1CCN(c2ccc(-c3noc([C@@H]4C[C@@]4(C)Br)n3)nc2)CC1 ZINC000858799204 662123705 /nfs/dbraw/zinc/12/37/05/662123705.db2.gz CPSYVBLANVIYSD-BLLLJJGKSA-N 1 0 378.274 2.524 20 0 GFADRO O=C(NC[C@@H](O)c1ccccc1Br)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000858872675 662125410 /nfs/dbraw/zinc/12/54/10/662125410.db2.gz ZXVYTBMKRGWSRQ-WMLDXEAASA-N 1 0 396.329 2.799 20 0 GFADRO COC(=O)Nc1ccc(S(=O)(=O)NCC[NH+]2CCC(C)CC2)cc1Cl ZINC000858902603 662126984 /nfs/dbraw/zinc/12/69/84/662126984.db2.gz PGDYBSLNRDWJAR-UHFFFAOYSA-N 1 0 389.905 2.529 20 0 GFADRO CC[C@@H](C)[N@H+](C)CCNS(=O)(=O)c1ccc(NC(=O)OC)c(Cl)c1 ZINC000858947741 662128593 /nfs/dbraw/zinc/12/85/93/662128593.db2.gz PYSBFUVELCMEKK-LLVKDONJSA-N 1 0 377.894 2.527 20 0 GFADRO COC(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)cc1Cl ZINC000859052239 662133999 /nfs/dbraw/zinc/13/39/99/662133999.db2.gz BXNHQTNAWATOBQ-NEPJUHHUSA-N 1 0 389.905 2.669 20 0 GFADRO O=C1Nc2ccc(Br)cc2CC[C@@H]1[NH+]1CCC(c2nnc[nH]2)CC1 ZINC000859159197 662141285 /nfs/dbraw/zinc/14/12/85/662141285.db2.gz LVGNGWIYIFYING-HNNXBMFYSA-N 1 0 390.285 2.700 20 0 GFADRO COC(=O)Nc1ccc(S(=O)(=O)N(C)[C@H]2CC[N@@H+](C(C)C)C2)cc1Cl ZINC000859183330 662143475 /nfs/dbraw/zinc/14/34/75/662143475.db2.gz IPNCWMCTFLKPDU-LBPRGKRZSA-N 1 0 389.905 2.622 20 0 GFADRO CC[C@@H](C(=O)N1CC[NH+](CC(C)(C)O)CC1)c1ccc(Br)cc1 ZINC000859254366 662148113 /nfs/dbraw/zinc/14/81/13/662148113.db2.gz VEVSYLPBSMKTIR-MRXNPFEDSA-N 1 0 383.330 2.858 20 0 GFADRO CC[C@@H](C(=O)NCCC[NH+]1CCC(O)CC1)c1ccc(Br)cc1 ZINC000859460338 662163573 /nfs/dbraw/zinc/16/35/73/662163573.db2.gz VZIXITRYUVJOOL-QGZVFWFLSA-N 1 0 383.330 2.906 20 0 GFADRO C[C@H]([NH2+]CCCOC(=O)NC(N)=O)c1cc(F)c(Br)cc1F ZINC000859508448 662165585 /nfs/dbraw/zinc/16/55/85/662165585.db2.gz ZQBXAPLHXBOMDU-ZETCQYMHSA-N 1 0 380.189 2.573 20 0 GFADRO OC[C@@H]1CCC2(CCOCC2)C[N@@H+]1C[C@H](O)c1ccc(Br)cc1 ZINC000859520198 662166218 /nfs/dbraw/zinc/16/62/18/662166218.db2.gz FYGIFOUKLTZFRO-IRXDYDNUSA-N 1 0 384.314 2.736 20 0 GFADRO O=C1O[C@@H](C[NH2+][C@@]2(CO)CCc3cc(Br)ccc3C2)CC12CCC2 ZINC000859573934 662168269 /nfs/dbraw/zinc/16/82/69/662168269.db2.gz GDHNRZARPQBNTQ-APWZRJJASA-N 1 0 394.309 2.744 20 0 GFADRO CSC[C@H](O)C[N@@H+]1CC[C@@H](C(F)(F)F)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000859606454 662169344 /nfs/dbraw/zinc/16/93/44/662169344.db2.gz NPTOOJSIICZFQA-JHJVBQTASA-N 1 0 386.480 2.735 20 0 GFADRO C[NH2+]CCOCCN(C)C(=O)Nc1ccc(N2CCSCC2)c(Cl)c1 ZINC000859641975 662170921 /nfs/dbraw/zinc/17/09/21/662170921.db2.gz FLSYOCYTHPBQSG-UHFFFAOYSA-N 1 0 386.949 2.593 20 0 GFADRO Cc1nn(C)c(NC(=O)N(C)C[C@@H](C)[NH3+])c1-c1ccc(Br)cc1 ZINC000859670657 662171900 /nfs/dbraw/zinc/17/19/00/662171900.db2.gz WYJDIJMVTVBKGX-SNVBAGLBSA-N 1 0 380.290 2.969 20 0 GFADRO O=c1ccc([C@@H]2OCC[C@H]2[NH2+]C[C@@H](O)c2ccc(F)c(Br)c2)c[nH]1 ZINC000859880121 662177464 /nfs/dbraw/zinc/17/74/64/662177464.db2.gz BOTRVAWKAQRAAF-INMHGKMJSA-N 1 0 397.244 2.842 20 0 GFADRO O=C(CC[N@H+]1CC[C@@H](O)[C@H]1c1ccc(Br)cc1)N1CCCCC1 ZINC000860049078 662184489 /nfs/dbraw/zinc/18/44/89/662184489.db2.gz QHXAPEWPVSJHRJ-SJLPKXTDSA-N 1 0 381.314 2.959 20 0 GFADRO CCC1([NH+]2CCOCC2)CCN(C(=O)Nc2ccnc(Br)c2)CC1 ZINC000861144816 662229092 /nfs/dbraw/zinc/22/90/92/662229092.db2.gz LOBZSEULLGLNKB-UHFFFAOYSA-N 1 0 397.317 2.953 20 0 GFADRO CO[C@H]1C[N@H+](C)[C@](C)(COC(=O)c2cn(C(C)(C)C)nc2Br)C1 ZINC000861349614 662241680 /nfs/dbraw/zinc/24/16/80/662241680.db2.gz UOXYFTBSNMGBKZ-BZNIZROVSA-N 1 0 388.306 2.667 20 0 GFADRO O=C(N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1)C(F)(F)c1cc(Cl)ccc1Cl ZINC000861719976 662256096 /nfs/dbraw/zinc/25/60/96/662256096.db2.gz RJAVXSQWTOOAQI-NEPJUHHUSA-N 1 0 379.234 2.753 20 0 GFADRO CCN(C(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1)C1CC[NH+](C)CC1 ZINC000861894562 662262777 /nfs/dbraw/zinc/26/27/77/662262777.db2.gz GKYVKNFOZYQBEA-UHFFFAOYSA-N 1 0 378.416 2.536 20 0 GFADRO CCN(C(=O)C[C@](O)(c1nc(C)cs1)C(F)(F)F)C1CC[NH+](C)CC1 ZINC000861894296 662262833 /nfs/dbraw/zinc/26/28/33/662262833.db2.gz AKFKDDXIMBXVJO-HNNXBMFYSA-N 1 0 379.448 2.534 20 0 GFADRO CC[NH+]1CCN(c2cccc(NCc3cn(C)nc3Br)c2)CC1 ZINC000862328576 662280368 /nfs/dbraw/zinc/28/03/68/662280368.db2.gz POBMPVMLKFYFAE-UHFFFAOYSA-N 1 0 378.318 2.937 20 0 GFADRO Cn1cc(CN2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)c(Br)n1 ZINC000862397925 662285289 /nfs/dbraw/zinc/28/52/89/662285289.db2.gz QNDGPGKRSYVEAT-DOTOQJQBSA-N 1 0 375.314 2.889 20 0 GFADRO CCON(CC)C(=O)C[NH2+][C@H](C)CC(=O)Nc1ccc(Br)cc1 ZINC000862453579 662288463 /nfs/dbraw/zinc/28/84/63/662288463.db2.gz XLSCXUUOLLJTFI-GFCCVEGCSA-N 1 0 386.290 2.556 20 0 GFADRO [NH3+]C[C@H]1CN(CCS(=O)(=O)c2ccc(Cl)cc2)CC[C@@H]1C(F)(F)F ZINC000863553184 662336178 /nfs/dbraw/zinc/33/61/78/662336178.db2.gz WIPNFUWYZOOTLG-FZMZJTMJSA-N 1 0 384.851 2.573 20 0 GFADRO C[NH+]1C[C@]2(C)CN(C(=O)c3nn(C(C)(C)C)cc3Br)C[C@@]2(C)C1 ZINC000864078565 662353801 /nfs/dbraw/zinc/35/38/01/662353801.db2.gz XROOGSDZWZKRQL-IAGOWNOFSA-N 1 0 383.334 2.814 20 0 GFADRO C[NH+](C)CCn1ccc(NC(=O)[C@H]2[C@@H]3c4cc(Br)ccc4C[C@H]23)n1 ZINC000865059278 662396880 /nfs/dbraw/zinc/39/68/80/662396880.db2.gz DODXXWDNALMBPP-USXIJHARSA-N 1 0 389.297 2.732 20 0 GFADRO C[NH+](C)C[C@@H](NC(=S)NC1CCOCC1)c1cccc(C(F)(F)F)c1 ZINC000865242574 662407345 /nfs/dbraw/zinc/40/73/45/662407345.db2.gz BSFNRIJJXLWJIE-OAHLLOKOSA-N 1 0 375.460 2.951 20 0 GFADRO C[C@H](CN1C(=O)[C@H](c2ccc(Br)s2)N(C)C1=O)[N@H+](C)C1CC1 ZINC000865301992 662411220 /nfs/dbraw/zinc/41/12/20/662411220.db2.gz MWOYBXVEVVBHAO-RNCFNFMXSA-N 1 0 386.315 2.928 20 0 GFADRO O=C(c1ccncc1)N1CCC([NH2+]Cc2cccnc2Br)CC1 ZINC000865421804 662420676 /nfs/dbraw/zinc/42/06/76/662420676.db2.gz CTGWIBWDQOKKDH-UHFFFAOYSA-N 1 0 375.270 2.634 20 0 GFADRO Cn1ncc2cc(C[NH2+]Cc3cc(Br)c4c(c3)OCCO4)cnc21 ZINC000865434360 662421509 /nfs/dbraw/zinc/42/15/09/662421509.db2.gz HBUYTGFTQMKYEE-UHFFFAOYSA-N 1 0 389.253 2.792 20 0 GFADRO CCS(=O)(=O)CC[NH2+]Cc1cc2c(s1)CCN(C(=O)OC(C)(C)C)C2 ZINC000865446333 662422006 /nfs/dbraw/zinc/42/20/06/662422006.db2.gz PWZRXWFJCBBVRF-UHFFFAOYSA-N 1 0 388.555 2.566 20 0 GFADRO CCOC1CC(C[NH2+]Cc2nccc(C)c2Br)(N2CCOCC2)C1 ZINC000865545248 662428037 /nfs/dbraw/zinc/42/80/37/662428037.db2.gz UPOHDQQYUJMUBI-UHFFFAOYSA-N 1 0 398.345 2.512 20 0 GFADRO C[N@@H+]1CCC[C@H](CNC(=O)c2cc(Br)ncc2Br)C1 ZINC000865609985 662432072 /nfs/dbraw/zinc/43/20/72/662432072.db2.gz XUMRYDOGJZNBQM-SECBINFHSA-N 1 0 391.107 2.678 20 0 GFADRO CN(C(=O)[C@@H]1[C@@H]2Cc3ccc(Br)cc3[C@@H]21)[C@H]1C[NH+]2CCC1CC2 ZINC000865712818 662437893 /nfs/dbraw/zinc/43/78/93/662437893.db2.gz HZGOFJBZDQXYLJ-VSZNYVQBSA-N 1 0 375.310 2.887 20 0 GFADRO Brc1ccn2cc(C[NH2+]C[C@@H]3CC4(CO3)CCOCC4)nc2c1 ZINC000865779649 662442962 /nfs/dbraw/zinc/44/29/62/662442962.db2.gz LBNRTTWXBABWJE-HNNXBMFYSA-N 1 0 380.286 2.772 20 0 GFADRO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)c1ccc(SC(F)(F)F)o1 ZINC000865799943 662444075 /nfs/dbraw/zinc/44/40/75/662444075.db2.gz ULSCJIMMQSVTRC-UHFFFAOYSA-N 1 0 379.448 2.990 20 0 GFADRO CS(=O)(=O)c1cccc(C[NH2+][C@H]2COc3cccc(Br)c3C2)c1 ZINC000865821086 662445575 /nfs/dbraw/zinc/44/55/75/662445575.db2.gz SSLRIRIMHJWDPZ-CYBMUJFWSA-N 1 0 396.306 2.946 20 0 GFADRO CNS(=O)(=O)c1ccc(CC[NH2+]Cc2csc(Br)c2)cc1 ZINC000865819435 662445601 /nfs/dbraw/zinc/44/56/01/662445601.db2.gz UWLLZBOMIHYZMW-UHFFFAOYSA-N 1 0 389.340 2.751 20 0 GFADRO CNS(=O)(=O)c1ccc(CC[NH2+]Cc2sccc2Br)cc1 ZINC000865818172 662445626 /nfs/dbraw/zinc/44/56/26/662445626.db2.gz OHIXNPGSVIMDPH-UHFFFAOYSA-N 1 0 389.340 2.751 20 0 GFADRO C[NH+]1CCC2(CC1)CN(c1nc(-c3ccc(Br)cc3)no1)CCO2 ZINC000865902557 662450348 /nfs/dbraw/zinc/45/03/48/662450348.db2.gz XWNLEVBOODFNJQ-UHFFFAOYSA-N 1 0 393.285 2.800 20 0 GFADRO O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)C(=O)c1cc(Cl)cc(Cl)c1 ZINC000865960190 662453543 /nfs/dbraw/zinc/45/35/43/662453543.db2.gz RVLRPAYPPOSYEK-LBPRGKRZSA-N 1 0 385.291 2.793 20 0 GFADRO CC(C)[C@@H]([NH2+]CC1CCN(S(=O)(=O)C(F)(F)F)CC1)c1ccccn1 ZINC000866264645 662466122 /nfs/dbraw/zinc/46/61/22/662466122.db2.gz CDAAIDCNCLVBLN-OAHLLOKOSA-N 1 0 379.448 2.930 20 0 GFADRO COc1cc(C2SCCS2)ccc1OS(=O)(=O)CC1([NH+](C)C)CC1 ZINC000866402837 662470555 /nfs/dbraw/zinc/47/05/55/662470555.db2.gz OXMPONRCMMEODR-UHFFFAOYSA-N 1 0 389.564 2.977 20 0 GFADRO C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@H]1CCN(CC(C)(C)O)C1 ZINC000866411700 662471224 /nfs/dbraw/zinc/47/12/24/662471224.db2.gz UEJDCAQYJASVHH-BBRMVZONSA-N 1 0 398.345 2.601 20 0 GFADRO O=C1OC[C@]2(C[NH2+][C@H](c3ccc(Br)s3)C3CC3)COCCN12 ZINC000866522464 662478692 /nfs/dbraw/zinc/47/86/92/662478692.db2.gz WGBSTEBXHXBWOR-ZFWWWQNUSA-N 1 0 387.299 2.773 20 0 GFADRO O=C1OC[C@@]2(C[NH2+]C3CC(c4ccc(Br)cc4)C3)COCCN12 ZINC000866522193 662478719 /nfs/dbraw/zinc/47/87/19/662478719.db2.gz SWVASWAHPMWRSG-PUJMQQBBSA-N 1 0 381.270 2.506 20 0 GFADRO O=C1OC[C@@]2(C[NH2+][C@@H](c3ccc(Br)cc3)C3CC3)COCCN12 ZINC000866524916 662478880 /nfs/dbraw/zinc/47/88/80/662478880.db2.gz NMFWCQBYSYKTCS-NVXWUHKLSA-N 1 0 381.270 2.711 20 0 GFADRO Brc1cccc2c1C[C@@H]([NH2+]C1CCN(C[C@@H]3CCCO3)CC1)CO2 ZINC000866594119 662482797 /nfs/dbraw/zinc/48/27/97/662482797.db2.gz AGXBYTIQDZMATL-CVEARBPZSA-N 1 0 395.341 2.986 20 0 GFADRO C[NH+](C)CCN(Cc1ccccn1)S(=O)(=O)c1cc(Cl)cnc1Cl ZINC000866748405 662494014 /nfs/dbraw/zinc/49/40/14/662494014.db2.gz PUAXUUPUXXPKFP-UHFFFAOYSA-N 1 0 389.308 2.536 20 0 GFADRO O=S(=O)(c1oc2ccccc2c1Br)N1CCC2(C1)CC[NH2+]CC2 ZINC000866759437 662495333 /nfs/dbraw/zinc/49/53/33/662495333.db2.gz FECJDAYARBJODS-UHFFFAOYSA-N 1 0 399.310 2.960 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2S(=O)(=O)Cc2ccc(F)cc2Cl)C1 ZINC000866774771 662497119 /nfs/dbraw/zinc/49/71/19/662497119.db2.gz QMKKEEHHZLTBJJ-PVAVHDDUSA-N 1 0 390.908 2.670 20 0 GFADRO O=C(NCCCC[N@H+]1CCC[C@H]1CO)c1nc(Br)sc1Cl ZINC000866786213 662498490 /nfs/dbraw/zinc/49/84/90/662498490.db2.gz OYVIMTTYPIYWMX-VIFPVBQESA-N 1 0 396.738 2.526 20 0 GFADRO Cc1ccc(Br)c(CS(=O)(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000866809195 662500508 /nfs/dbraw/zinc/50/05/08/662500508.db2.gz HOIXEAJDCWLXQD-YOWGUQMCSA-N 1 0 387.343 2.708 20 0 GFADRO Cc1nc(-c2ccc(S(=O)(=O)NC[C@H]3C[C@H]4CC[C@@H](C3)[NH2+]4)s2)cs1 ZINC000866810065 662500796 /nfs/dbraw/zinc/50/07/96/662500796.db2.gz RKEAMROCGWSBSX-CLLJXQQHSA-N 1 0 383.564 2.989 20 0 GFADRO O=S(=O)(c1cccc(Cl)c1Br)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000866825124 662502197 /nfs/dbraw/zinc/50/21/97/662502197.db2.gz PNVGOSAZAVRILP-WDEREUQCSA-N 1 0 379.707 2.618 20 0 GFADRO O=S(=O)(c1cccc(Cl)c1Br)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000866825121 662502216 /nfs/dbraw/zinc/50/22/16/662502216.db2.gz PNVGOSAZAVRILP-MNOVXSKESA-N 1 0 379.707 2.618 20 0 GFADRO O=S(=O)(c1cc(Cl)cnc1Cl)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000866880204 662505940 /nfs/dbraw/zinc/50/59/40/662505940.db2.gz MCSWVFORGGMJJT-LBPRGKRZSA-N 1 0 378.325 2.885 20 0 GFADRO C[N@@H+]1CCC[C@@H]2CN(S(=O)(=O)c3ccc4ccnc(Cl)c4c3)CC[C@H]21 ZINC000866972451 662513260 /nfs/dbraw/zinc/51/32/60/662513260.db2.gz RQMMHKIEXJWLQY-RHSMWYFYSA-N 1 0 379.913 2.993 20 0 GFADRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2S(=O)(=O)c2ccc3ccnc(Cl)c3c2)C1 ZINC000866985944 662514649 /nfs/dbraw/zinc/51/46/49/662514649.db2.gz NNGPOPFNQANPBZ-WMLDXEAASA-N 1 0 379.913 2.993 20 0 GFADRO C[NH+]1CCC2(CCCN2S(=O)(=O)c2cc3nc(Cl)ncc3s2)CC1 ZINC000867042154 662518761 /nfs/dbraw/zinc/51/87/61/662518761.db2.gz ZTLUGALMADNWPG-UHFFFAOYSA-N 1 0 386.930 2.594 20 0 GFADRO CC[N@H+](CCC1CCN(S(=O)(=O)N=S2(=O)CCCC2)CC1)CC(C)C ZINC000867054550 662519598 /nfs/dbraw/zinc/51/95/98/662519598.db2.gz RADCKJSFVCIIDC-UHFFFAOYSA-N 1 0 393.619 2.573 20 0 GFADRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1S(=O)(=O)c1cc2nc(Cl)ncc2s1 ZINC000867268111 662537351 /nfs/dbraw/zinc/53/73/51/662537351.db2.gz LTGUGOLEHWUNEN-PWSUYJOCSA-N 1 0 386.930 2.592 20 0 GFADRO CCC(F)(F)C(C)(C)CS(=O)(=O)N(CCOC)CC1CC[NH+](C)CC1 ZINC000867582901 662560880 /nfs/dbraw/zinc/56/08/80/662560880.db2.gz ZZJPARFEZOQMHX-UHFFFAOYSA-N 1 0 384.533 2.678 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(S(=O)(=O)c3cccc(Cl)c3Br)CC[C@@H]21 ZINC000867809558 662578394 /nfs/dbraw/zinc/57/83/94/662578394.db2.gz SQVGKEIDWHHDAW-PWSUYJOCSA-N 1 0 393.734 2.817 20 0 GFADRO O=C(NCC1CC[NH+](C2CC2)CC1)c1cc(Br)cn2ccnc12 ZINC000867850663 662582559 /nfs/dbraw/zinc/58/25/59/662582559.db2.gz HSWULQJKEZWNON-UHFFFAOYSA-N 1 0 377.286 2.701 20 0 GFADRO Cc1nn(C)c(C)c1C[C@H](C)NC(=O)[C@H]([NH3+])c1cccc(Br)c1 ZINC000867941151 662588490 /nfs/dbraw/zinc/58/84/90/662588490.db2.gz CCWJHNFPCXPKEV-MGPLVRAMSA-N 1 0 379.302 2.547 20 0 GFADRO CC[C@H]1C[N@H+](C)CCCN1C(=O)[C@@H](NC(C)=O)c1cccc(Br)c1 ZINC000867962652 662589634 /nfs/dbraw/zinc/58/96/34/662589634.db2.gz RNHLVUPRLLSFAB-IRXDYDNUSA-N 1 0 396.329 2.569 20 0 GFADRO O=C(C[C@H]1COCC[NH2+]1)Nc1ccc(Br)c(Br)c1 ZINC000868029995 662592094 /nfs/dbraw/zinc/59/20/94/662592094.db2.gz SUYCYOMYUWZPKL-VIFPVBQESA-N 1 0 378.064 2.529 20 0 GFADRO C[NH+](C)Cc1cccc(CNC(=O)NCc2ncc(Br)s2)c1 ZINC000868041091 662592266 /nfs/dbraw/zinc/59/22/66/662592266.db2.gz OCNVCPLFHSVCCT-UHFFFAOYSA-N 1 0 383.315 2.967 20 0 GFADRO COCCC1(NC(=O)CCc2cc(F)ccc2Br)CC[NH2+]CC1 ZINC000868043087 662592418 /nfs/dbraw/zinc/59/24/18/662592418.db2.gz CCBUBEXCZHPEGR-UHFFFAOYSA-N 1 0 387.293 2.796 20 0 GFADRO COCCC1(NC(=O)CSc2cccc(Br)c2)CC[NH2+]CC1 ZINC000868044602 662592423 /nfs/dbraw/zinc/59/24/23/662592423.db2.gz LAGBZRHKADCUJS-UHFFFAOYSA-N 1 0 387.343 2.816 20 0 GFADRO CC(C)(C)[NH+]1CCC(NC(=O)NCc2ncc(Br)s2)CC1 ZINC000868124189 662594993 /nfs/dbraw/zinc/59/49/93/662594993.db2.gz PWWRQPWBGFNVSP-UHFFFAOYSA-N 1 0 375.336 2.968 20 0 GFADRO Cc1ccc(I)cc1NC(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000868148974 662596331 /nfs/dbraw/zinc/59/63/31/662596331.db2.gz QHDSNVPCKIJTST-OCCSQVGLSA-N 1 0 385.249 2.958 20 0 GFADRO O=C(NCc1ncc(Br)s1)Nc1ccc2c(c1)C[NH2+]CCO2 ZINC000868169193 662597333 /nfs/dbraw/zinc/59/73/33/662597333.db2.gz WRUHVTARXWDJQP-UHFFFAOYSA-N 1 0 383.271 2.709 20 0 GFADRO [NH3+]CCN(CCO)C(=O)Nc1nc([C@H]2CCC[C@@H](C(F)(F)F)C2)cs1 ZINC000868170694 662597623 /nfs/dbraw/zinc/59/76/23/662597623.db2.gz IBCHXBBYFHOJGO-WDEREUQCSA-N 1 0 380.436 2.764 20 0 GFADRO O=C(Nc1ccc(I)cc1F)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000868169654 662597678 /nfs/dbraw/zinc/59/76/78/662597678.db2.gz CFMSNPIMFDSFCQ-STQMWFEESA-N 1 0 389.212 2.789 20 0 GFADRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1cc(Br)cn2ccnc12 ZINC000868280956 662600430 /nfs/dbraw/zinc/60/04/30/662600430.db2.gz FUCCSTOBMUKZKG-TZMCWYRMSA-N 1 0 377.286 2.796 20 0 GFADRO [NH3+]CC12CCC(CC1)N2C(=O)C(=O)Nc1ccc(Cl)cc1Br ZINC000868288317 662600568 /nfs/dbraw/zinc/60/05/68/662600568.db2.gz DJAVYXIHWOUQHC-UHFFFAOYSA-N 1 0 386.677 2.523 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)N[C@@H]2[C@@H]3Cc4ccc(Br)cc4[C@@H]32)CC[N@@H+]1C ZINC000868375231 662603629 /nfs/dbraw/zinc/60/36/29/662603629.db2.gz ZXHTVNCYGWIJFS-YZTAHQKSSA-N 1 0 378.314 2.869 20 0 GFADRO Cn1cc([C@H]2C[N@H+](C)CC[C@H]2C(=O)Nc2cc(O)cc(Br)c2)cn1 ZINC000868730027 662616834 /nfs/dbraw/zinc/61/68/34/662616834.db2.gz GJOZAOHTBIUNNQ-HZPDHXFCSA-N 1 0 393.285 2.562 20 0 GFADRO COC[C@H](NC(=O)N1CC[C@]2(CC[N@H+](C)C2)C1)c1cccc(Br)c1 ZINC000869148069 662631803 /nfs/dbraw/zinc/63/18/03/662631803.db2.gz VKFNENVTOXVJGB-WMZOPIPTSA-N 1 0 396.329 2.874 20 0 GFADRO C[C@@H](CCNC(=O)c1cc(Br)ncc1Br)[NH+](C)C ZINC000869241546 662637307 /nfs/dbraw/zinc/63/73/07/662637307.db2.gz IAJFQQHEBIAKRG-QMMMGPOBSA-N 1 0 379.096 2.677 20 0 GFADRO O=C(c1cc(F)c(Br)cc1F)N1CCC(N2CCOCC2)CC1 ZINC000869281649 662639742 /nfs/dbraw/zinc/63/97/42/662639742.db2.gz JKIILQDDRZCEBR-UHFFFAOYSA-N 1 0 389.240 2.664 20 0 GFADRO CCC[N@@H+]1CC[C@H](NC(=O)c2cc(Br)ncc2Br)C1 ZINC000869285199 662639755 /nfs/dbraw/zinc/63/97/55/662639755.db2.gz NNAOMXPKQJAMGQ-VIFPVBQESA-N 1 0 391.107 2.821 20 0 GFADRO COCCN(CC1CC[NH+](C)CC1)C(=O)Cc1ccc(Br)cc1O ZINC000869761908 662660373 /nfs/dbraw/zinc/66/03/73/662660373.db2.gz DOHMVWIFEWDTMI-UHFFFAOYSA-N 1 0 399.329 2.514 20 0 GFADRO COCCN(CC1CC[NH+](C)CC1)C(=O)c1nc(Br)sc1C ZINC000869763051 662660638 /nfs/dbraw/zinc/66/06/38/662660638.db2.gz QNSSPUITDOHEEP-UHFFFAOYSA-N 1 0 390.347 2.644 20 0 GFADRO Cc1sc(Br)c(C(=O)N[C@H]2CC[N@H+](CC(C)(C)O)C2)c1C ZINC000869777900 662661255 /nfs/dbraw/zinc/66/12/55/662661255.db2.gz YFJQPHBQNMQCEZ-NSHDSACASA-N 1 0 375.332 2.702 20 0 GFADRO CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)c2cc(Cl)ccc2Br)C1 ZINC000869784277 662662088 /nfs/dbraw/zinc/66/20/88/662662088.db2.gz RHJKKXZBHVGDOB-NSHDSACASA-N 1 0 375.694 2.678 20 0 GFADRO CC1([NH+]2CCCC2)CCN(C(=O)c2ccc(Cl)c(S(C)(=O)=O)c2)CC1 ZINC000870251893 662680777 /nfs/dbraw/zinc/68/07/77/662680777.db2.gz DCFWARMUAOSIEZ-UHFFFAOYSA-N 1 0 384.929 2.834 20 0 GFADRO CC(C)n1ncc(C(=O)OCC[C@@H]2CC[N@H+](C)C2)c1I ZINC000870457828 662690788 /nfs/dbraw/zinc/69/07/88/662690788.db2.gz LDHXDIPADQWNRM-NSHDSACASA-N 1 0 391.253 2.567 20 0 GFADRO [NH3+][C@H](C(=O)NCc1ccc(N2CCCC2)nc1)c1cccc(Br)c1 ZINC000870862900 662703826 /nfs/dbraw/zinc/70/38/26/662703826.db2.gz FPMAPDMAPTUFOY-KRWDZBQOSA-N 1 0 389.297 2.761 20 0 GFADRO O=C(CNC(=O)c1csc(C2CC[NH2+]CC2)n1)Nc1ccc(Cl)cc1 ZINC000870873062 662704197 /nfs/dbraw/zinc/70/41/97/662704197.db2.gz XGRMWVJPUTXOCL-UHFFFAOYSA-N 1 0 378.885 2.632 20 0 GFADRO [NH3+][C@H](C(=O)NC[C@@H](CO)Cc1ccc(F)cc1)c1cccc(Br)c1 ZINC000870903482 662707427 /nfs/dbraw/zinc/70/74/27/662707427.db2.gz WHAJYLYATLWOKJ-GUYCJALGSA-N 1 0 395.272 2.555 20 0 GFADRO CC1(C)Cc2n[nH]cc2CN(C(=O)[C@H]([NH3+])c2cccc(Br)c2)C1 ZINC000870958665 662711470 /nfs/dbraw/zinc/71/14/70/662711470.db2.gz ZOYFHJSDQGVZRB-OAHLLOKOSA-N 1 0 377.286 2.783 20 0 GFADRO Cc1cc(COc2ccc(C(=O)NC[C@H]3C[C@@H]([NH3+])C3)cc2Br)no1 ZINC000870967774 662711711 /nfs/dbraw/zinc/71/17/11/662711711.db2.gz BLAKZYMWNINESN-BJHJDKERSA-N 1 0 394.269 2.792 20 0 GFADRO CCn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000871064212 662714597 /nfs/dbraw/zinc/71/45/97/662714597.db2.gz VTYOOGZAYLMLLR-TZMCWYRMSA-N 1 0 393.333 2.596 20 0 GFADRO C[N@@H+]1CCN(C(=O)[C@@H]2CCO[C@H]2c2cncc(Br)c2)CCC1(C)C ZINC000871157254 662716701 /nfs/dbraw/zinc/71/67/01/662716701.db2.gz IWNZZVBBVDRPIF-CVEARBPZSA-N 1 0 396.329 2.864 20 0 GFADRO Cc1c(Br)cc(-c2nc(C3C[C@H]4CC[C@@H](C3)[NH2+]4)no2)c(=O)n1C ZINC000871798466 662734341 /nfs/dbraw/zinc/73/43/41/662734341.db2.gz XQTARPINMIHCPK-FGWVZKOKSA-N 1 0 379.258 2.504 20 0 GFADRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2csc(-c3ccccc3)n2)C[C@@H]1C(F)(F)F ZINC000871812454 662735158 /nfs/dbraw/zinc/73/51/58/662735158.db2.gz ADJVTQQHEFTHHD-NEPJUHHUSA-N 1 0 391.440 2.568 20 0 GFADRO Cc1ccc(C(F)(F)F)cc1S(=O)(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000871813909 662735286 /nfs/dbraw/zinc/73/52/86/662735286.db2.gz LEYATYHSUHZZKL-KOLCDFICSA-N 1 0 390.349 2.772 20 0 GFADRO [NH3+]C[C@H]1CN(S(=O)(=O)c2ccc(CC(F)(F)F)cc2)C[C@@H]1C(F)(F)F ZINC000871814003 662735538 /nfs/dbraw/zinc/73/55/38/662735538.db2.gz NJPRZXIJAMATDB-JQWIXIFHSA-N 1 0 390.349 2.549 20 0 GFADRO NC(=O)[C@@H]([NH2+]C[C@H]1CCC12CCOCC2)c1ccc(Br)cc1F ZINC000871920032 662741761 /nfs/dbraw/zinc/74/17/61/662741761.db2.gz BQTYFVBWHCJOIQ-ABAIWWIYSA-N 1 0 385.277 2.911 20 0 GFADRO CCOC(=O)[C@@H](C)C1C[NH+](C[C@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000871993225 662750124 /nfs/dbraw/zinc/75/01/24/662750124.db2.gz NCIFYOBALIIKHZ-FZMZJTMJSA-N 1 0 376.280 2.864 20 0 GFADRO O=S1(=O)CC[C@H](C[NH2+][C@H](c2cccc(Br)c2)[C@H]2CCOC2)C1 ZINC000872019596 662753942 /nfs/dbraw/zinc/75/39/42/662753942.db2.gz XEPYQAMXOGFLON-IVMMDQJWSA-N 1 0 388.327 2.551 20 0 GFADRO NC(=O)c1ccc(C[NH2+][C@H](c2cccc(Br)c2)[C@H]2CCOC2)cn1 ZINC000872041052 662754480 /nfs/dbraw/zinc/75/44/80/662754480.db2.gz FVWZDGRSAVWGSX-WMLDXEAASA-N 1 0 390.281 2.810 20 0 GFADRO CC[C@H]([NH2+]CCNS(=O)(=O)c1ccc(F)cc1Cl)[C@@H]1CCCOC1 ZINC000872070650 662754984 /nfs/dbraw/zinc/75/49/84/662754984.db2.gz VUFRICDMNGZVGF-DOMZBBRYSA-N 1 0 378.897 2.552 20 0 GFADRO Cc1ccc(NC(=O)CN2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)c(Br)c1 ZINC000872150303 662756846 /nfs/dbraw/zinc/75/68/46/662756846.db2.gz ZIAAZRHREJSTGB-MNOVXSKESA-N 1 0 394.235 2.765 20 0 GFADRO C[C@H](C(=O)Nc1ccccc1Br)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000872152145 662757051 /nfs/dbraw/zinc/75/70/51/662757051.db2.gz ZOZHRXFIPNPUNQ-GMTAPVOTSA-N 1 0 394.235 2.845 20 0 GFADRO COc1ccc(Br)cc1C1(c2noc([C@@]3(C)C[NH2+]CCO3)n2)CC1 ZINC000872183202 662757487 /nfs/dbraw/zinc/75/74/87/662757487.db2.gz CKHKMQFHQDXNDH-MRXNPFEDSA-N 1 0 394.269 2.756 20 0 GFADRO CC(C)(O)C[C@@H](O)C[NH2+]C1CCN(Cc2ccc(Br)cc2)CC1 ZINC000872202772 662757822 /nfs/dbraw/zinc/75/78/22/662757822.db2.gz JXSWMNLHFCPKEE-QGZVFWFLSA-N 1 0 385.346 2.525 20 0 GFADRO CC(C)(O)C[C@@H](O)C[NH2+]C1CCN(Cc2cccc(Br)c2)CC1 ZINC000872210069 662758038 /nfs/dbraw/zinc/75/80/38/662758038.db2.gz ICTHFYVMEKKNSY-QGZVFWFLSA-N 1 0 385.346 2.525 20 0 GFADRO C[C@H]([NH2+]C[C@H](O)COc1ccc(Cl)cc1Br)c1ccnn1C ZINC000872238419 662758815 /nfs/dbraw/zinc/75/88/15/662758815.db2.gz HKBLIQAOKDVEJK-JQWIXIFHSA-N 1 0 388.693 2.927 20 0 GFADRO [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)Nc2ccnn2Cc2ccc(Br)cc2)C1 ZINC000872260188 662759366 /nfs/dbraw/zinc/75/93/66/662759366.db2.gz KWNXWPSIYRDTJL-DXCKQFNASA-N 1 0 375.270 2.760 20 0 GFADRO CN(CCCC[NH+](C)C)S(=O)(=O)c1cc2c(cc1Cl)CCCC(=O)N2 ZINC000872457341 662768926 /nfs/dbraw/zinc/76/89/26/662768926.db2.gz BVOOMZYNHYXOQY-UHFFFAOYSA-N 1 0 387.933 2.577 20 0 GFADRO OC1(C[NH+]2CCOCC2)CCN(c2nc3c(cc(Cl)cc3F)s2)CC1 ZINC000872504102 662773329 /nfs/dbraw/zinc/77/33/29/662773329.db2.gz DJFZHEZPWYXCBK-UHFFFAOYSA-N 1 0 385.892 2.752 20 0 GFADRO C[NH+](C)C1CCC2(CC1)CCN(S(=O)(=O)N=[S@@](C)(=O)C(C)(C)C)CC2 ZINC000872506074 662773750 /nfs/dbraw/zinc/77/37/50/662773750.db2.gz LXGYLWLKVSNFOH-DEOSSOPVSA-N 1 0 393.619 2.714 20 0 GFADRO O=c1c(Br)nn(C[N@@H+]2CC[C@@H]3CSC[C@H]3C2)c2ccccc12 ZINC000872720965 662786459 /nfs/dbraw/zinc/78/64/59/662786459.db2.gz FHEAFSDPJGALDB-VXGBXAGGSA-N 1 0 380.311 2.801 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(CN3CC[C@@H](c4cccc(Br)c4)C3=O)CC[C@@H]21 ZINC000872724259 662786512 /nfs/dbraw/zinc/78/65/12/662786512.db2.gz STZRRDZQABFISA-NJAFHUGGSA-N 1 0 392.341 2.749 20 0 GFADRO CCc1c(Cl)nc(CS(C)(=O)=O)nc1N1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000872779154 662788475 /nfs/dbraw/zinc/78/84/75/662788475.db2.gz NSLIBMFUQDFMIG-TZMCWYRMSA-N 1 0 388.965 2.581 20 0 GFADRO COCCC(=O)N1CCC([NH2+]Cc2cc(Br)c(C)s2)CC1 ZINC000873080707 662799037 /nfs/dbraw/zinc/79/90/37/662799037.db2.gz TUHIJRJDONAWFV-UHFFFAOYSA-N 1 0 375.332 2.936 20 0 GFADRO COCCO[C@@H]1COCC[C@@H]1[NH2+]Cc1c(Br)c2ccccc2n1C ZINC000873109493 662799968 /nfs/dbraw/zinc/79/99/68/662799968.db2.gz UNRHUBMUBHRRAD-WMLDXEAASA-N 1 0 397.313 2.851 20 0 GFADRO Cc1ccc(F)c(NC(=O)C(=O)N(C)CCCCCC[NH3+])c1Br ZINC000873112092 662800404 /nfs/dbraw/zinc/80/04/04/662800404.db2.gz VVJIPFBPOKPMKO-UHFFFAOYSA-N 1 0 388.281 2.813 20 0 GFADRO O=C1NC(=O)C2(CCC([NH2+]Cc3cccc(Cl)c3Br)CC2)N1 ZINC000873124093 662800581 /nfs/dbraw/zinc/80/05/81/662800581.db2.gz BMFBDSIRESGKTG-UHFFFAOYSA-N 1 0 386.677 2.713 20 0 GFADRO COc1ccc(C[NH2+]CC2C[C@H]3CC[C@@H](C2)S3(=O)=O)c(Br)c1 ZINC000873169716 662802543 /nfs/dbraw/zinc/80/25/43/662802543.db2.gz HTHNSUAYRCZHNR-PHTAMDTFSA-N 1 0 388.327 2.903 20 0 GFADRO Brc1cnc(CN[C@@]23CCC[C@H]2[NH2+]CC3)c(Br)c1 ZINC000873231122 662804236 /nfs/dbraw/zinc/80/42/36/662804236.db2.gz IBHJAVXIELKAPI-CHWSQXEVSA-N 1 0 375.108 2.981 20 0 GFADRO COC(=O)c1cc(NC(=O)N2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)ccc1Cl ZINC000873303590 662804969 /nfs/dbraw/zinc/80/49/69/662804969.db2.gz RWAJLAIOYGTICI-KWQFWETISA-N 1 0 379.766 2.728 20 0 GFADRO O=C(Nc1cc2c(cc1Br)OCCO2)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000873300596 662805003 /nfs/dbraw/zinc/80/50/03/662805003.db2.gz XZFSODJVJQEOFZ-GDBMZVCRSA-N 1 0 382.258 2.626 20 0 GFADRO O=C(Nc1ccc(F)cc1I)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000873312041 662805131 /nfs/dbraw/zinc/80/51/31/662805131.db2.gz FDSHELFZULKDTA-OCCSQVGLSA-N 1 0 389.212 2.836 20 0 GFADRO Cc1nc(NC(=O)N2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)ccc1Br ZINC000873318580 662805322 /nfs/dbraw/zinc/80/53/22/662805322.db2.gz CZLBQZDRDVRWDK-IUCAKERBSA-N 1 0 381.196 2.753 20 0 GFADRO COC(=O)c1c(Br)ccc(NC(=O)N[C@]23CCC[C@@H]2[NH2+]CC3)c1C ZINC000873324505 662805468 /nfs/dbraw/zinc/80/54/68/662805468.db2.gz SOHNIRJNVVRWPI-GUYCJALGSA-N 1 0 396.285 2.950 20 0 GFADRO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)[C@@]1(C)CC1(Br)Br ZINC000874823125 662837272 /nfs/dbraw/zinc/83/72/72/662837272.db2.gz FVDYMDSERGBKAE-HOSYDEDBSA-N 1 0 380.124 2.578 20 0 GFADRO Cn1nc2cc(Br)ccc2c1C(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2C ZINC000874827237 662837664 /nfs/dbraw/zinc/83/76/64/662837664.db2.gz YDWZFRYYNAJIHG-GJZGRUSLSA-N 1 0 377.286 2.645 20 0 GFADRO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)c1cc(Br)c2c(c1)OCCO2 ZINC000874836126 662837923 /nfs/dbraw/zinc/83/79/23/662837923.db2.gz BQMHOAUYZIXJPL-KBPBESRZSA-N 1 0 381.270 2.529 20 0 GFADRO C[NH+](C)C[C@@H](NC(=O)NCCc1cnccn1)c1ccc(Cl)c(Cl)c1 ZINC000875458090 662846343 /nfs/dbraw/zinc/84/63/43/662846343.db2.gz RSQBFZGHDRUANR-MRXNPFEDSA-N 1 0 382.295 2.928 20 0 GFADRO Cc1cc(Br)cnc1NC(=O)[C@H]1CC[N@@H+](C)C[C@H]1c1cnn(C)c1 ZINC000875464783 662846452 /nfs/dbraw/zinc/84/64/52/662846452.db2.gz GVAHTHXHZQCGOJ-GJZGRUSLSA-N 1 0 392.301 2.560 20 0 GFADRO C[NH+]1CCC(n2cc(NC(=O)NCc3ccc(Br)cn3)cn2)CC1 ZINC000876019723 662854772 /nfs/dbraw/zinc/85/47/72/662854772.db2.gz YUGKUJAAVRNDFC-UHFFFAOYSA-N 1 0 393.289 2.629 20 0 GFADRO O=C(NCc1ccc(C(F)(F)F)s1)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000876342854 662860175 /nfs/dbraw/zinc/86/01/75/662860175.db2.gz WCFWVJBJSOXUDW-LBPRGKRZSA-N 1 0 377.432 2.508 20 0 GFADRO C[C@]1(Br)C[C@@H]1C(=O)Nc1ccccc1C(=O)OC1CC[NH2+]CC1 ZINC000876520113 662862346 /nfs/dbraw/zinc/86/23/46/662862346.db2.gz GHVHJPWTYCASAY-DYVFJYSZSA-N 1 0 381.270 2.707 20 0 GFADRO CCO[P@@](C)(=O)CC[C@@H](C)[NH2+]Cc1c(I)cnn1C ZINC000877775698 662883303 /nfs/dbraw/zinc/88/33/03/662883303.db2.gz ZGNNDZZRWJEZPM-GIGQVBGESA-N 1 0 399.213 2.837 20 0 GFADRO Cc1sc(NC(=O)[C@@H](N)C[NH+](C)C)nc1-c1ccc(Br)cc1 ZINC000876553324 662862676 /nfs/dbraw/zinc/86/26/76/662862676.db2.gz NRYIYMMPSXIGOY-LBPRGKRZSA-N 1 0 383.315 2.708 20 0 GFADRO O=C(Nc1ccnn1Cc1cccc(Br)c1)[C@H](F)[C@H]1CC[NH2+]C1 ZINC000876603623 662863301 /nfs/dbraw/zinc/86/33/01/662863301.db2.gz YNFQZOBFECTRBG-SWLSCSKDSA-N 1 0 381.249 2.580 20 0 GFADRO O=C(Nc1cc(Cl)cc(Cl)c1)[C@@H]1CCCN1C(=O)[C@@H](F)[C@H]1CC[NH2+]C1 ZINC000876602516 662863303 /nfs/dbraw/zinc/86/33/03/662863303.db2.gz QZJZVDFUTSJJBW-LKTVYLICSA-N 1 0 388.270 2.871 20 0 GFADRO O=C(/C=C\[C@@H]1CCC[NH2+]C1)N1CCO[C@@H](c2cccc(Br)c2)C1 ZINC000876629355 662863767 /nfs/dbraw/zinc/86/37/67/662863767.db2.gz ZSSHKISJNMPKQE-GRQQHNRBSA-N 1 0 379.298 2.905 20 0 GFADRO [NH3+][C@H]1CC[C@H](C(=O)Nc2ncn(Cc3cccc(Br)c3)n2)CC1 ZINC000876631595 662863789 /nfs/dbraw/zinc/86/37/89/662863789.db2.gz KPFVPEZQKQDDOL-MQMHXKEQSA-N 1 0 378.274 2.545 20 0 GFADRO Cn1ncc(C[NH3+])c1C(=O)NCc1cc(Cl)cc(Cl)c1OC(F)F ZINC000876691684 662864827 /nfs/dbraw/zinc/86/48/27/662864827.db2.gz OCCMAXOHHPYNNK-UHFFFAOYSA-N 1 0 379.194 2.717 20 0 GFADRO O=C(/C=C/[C@@H]1CCC[NH2+]C1)N1CCN(Cc2ccc(Br)s2)CC1 ZINC000876710756 662865219 /nfs/dbraw/zinc/86/52/19/662865219.db2.gz MPNYQUASLONROB-ZRFDWSJLSA-N 1 0 398.370 2.711 20 0 GFADRO C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000876733400 662865484 /nfs/dbraw/zinc/86/54/84/662865484.db2.gz XGAOJWIAMUZALV-LGRBWDGGSA-N 1 0 392.341 2.803 20 0 GFADRO CCS(=O)(=O)C[C@H](C)[N@H+](C)C[C@@H]1CCCCN(C(=O)OC(C)(C)C)C1 ZINC000876736094 662865659 /nfs/dbraw/zinc/86/56/59/662865659.db2.gz GAZALNIQUXLZAI-HOTGVXAUSA-N 1 0 376.563 2.779 20 0 GFADRO O=C([C@@H](F)[C@@H]1CC[NH2+]C1)N1CCC(Oc2cccc(Br)c2)CC1 ZINC000876895609 662867824 /nfs/dbraw/zinc/86/78/24/662867824.db2.gz GIRBKWKJEUVIJA-WBMJQRKESA-N 1 0 385.277 2.767 20 0 GFADRO Cc1ccc(S(=O)(=O)N2CCC([NH2+]C[C@@H]3CC3(Cl)Cl)CC2)cc1 ZINC000876921255 662868093 /nfs/dbraw/zinc/86/80/93/662868093.db2.gz NCNMRLAIDFKDOM-ZDUSSCGKSA-N 1 0 377.337 2.932 20 0 GFADRO O=C(COc1ccccc1C[NH2+]C[C@@H]1CC1(Cl)Cl)NC[C@@H]1CCCO1 ZINC000876955735 662868597 /nfs/dbraw/zinc/86/85/97/662868597.db2.gz BSGVZYHVQZXDCK-GJZGRUSLSA-N 1 0 387.307 2.644 20 0 GFADRO COC(=O)N1CCC([NH2+]Cc2ccc(I)s2)CC1 ZINC000876972284 662869003 /nfs/dbraw/zinc/86/90/03/662869003.db2.gz ZHXAHOOXSJKDKS-UHFFFAOYSA-N 1 0 380.251 2.673 20 0 GFADRO Cc1nc(C2CC[NH2+]CC2)sc1C(=O)N1CCO[C@H](CC(F)(F)F)C1 ZINC000876978903 662869084 /nfs/dbraw/zinc/86/90/84/662869084.db2.gz QPNVUMNVPYMMSY-GFCCVEGCSA-N 1 0 377.432 2.712 20 0 GFADRO Cc1cc([C@H]([NH3+])CC(=O)NC[C@H](n2cccn2)C(F)(F)F)cc(Cl)n1 ZINC000876991101 662869281 /nfs/dbraw/zinc/86/92/81/662869281.db2.gz HFVMGHPOVLLALW-NEPJUHHUSA-N 1 0 375.782 2.550 20 0 GFADRO CC(C)n1ncc(C(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)c1Br ZINC000877009836 662869540 /nfs/dbraw/zinc/86/95/40/662869540.db2.gz BONMBLZTVCYPSR-DZGCQCFKSA-N 1 0 377.286 2.712 20 0 GFADRO COC(=O)c1ccc(C[NH2+][C@H]2CCO[C@@]3(CCOC3)C2)cc1Br ZINC000877132772 662871572 /nfs/dbraw/zinc/87/15/72/662871572.db2.gz MXIZKMDPLPMLLH-GUYCJALGSA-N 1 0 384.270 2.663 20 0 GFADRO Cc1nc(C(=O)N2C3CCC2(C[NH3+])CC3)nn1-c1c(Cl)cccc1Cl ZINC000877189933 662872090 /nfs/dbraw/zinc/87/20/90/662872090.db2.gz TWATUFMHLNJRQZ-UHFFFAOYSA-N 1 0 380.279 2.978 20 0 GFADRO COc1ccc([C@@H]2CN(C(=O)c3cc(Br)ccc3O)C[C@H]2[NH3+])cc1 ZINC000877237830 662872408 /nfs/dbraw/zinc/87/24/08/662872408.db2.gz LCNYUQWTDHEBOG-JKSUJKDBSA-N 1 0 391.265 2.730 20 0 GFADRO CC(C)(C)[C@@]1(C[NH3+])CCN(C(=O)c2cc(Br)c3nccn3c2)C1 ZINC000877257094 662872522 /nfs/dbraw/zinc/87/25/22/662872522.db2.gz LFONJMDQMDPJOU-QGZVFWFLSA-N 1 0 379.302 2.934 20 0 GFADRO O=C(N[C@@H]1[C@@H]2Cc3ccc(Br)cc3[C@@H]21)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000877261255 662872614 /nfs/dbraw/zinc/87/26/14/662872614.db2.gz KFKNURLDRFIPLX-COMQUAJESA-N 1 0 389.215 2.745 20 0 GFADRO [NH3+]C[C@H]1OCC[C@@H]1C(=O)Nc1ccc(Br)c(Br)c1 ZINC000877267620 662872775 /nfs/dbraw/zinc/87/27/75/662872775.db2.gz ZGVGWPQFWFOOIK-GZMMTYOYSA-N 1 0 378.064 2.514 20 0 GFADRO COCCC1(NC(=O)c2cc3cc(Br)ccc3[nH]2)CC[NH2+]CC1 ZINC000877267770 662872809 /nfs/dbraw/zinc/87/28/09/662872809.db2.gz DCKCKGRDQLGGQB-UHFFFAOYSA-N 1 0 380.286 2.819 20 0 GFADRO Cc1cc(C(=O)N2CCC[C@H]3[NH2+]CC[C@@H]32)nn1-c1ccc(Br)cc1 ZINC000877281074 662873080 /nfs/dbraw/zinc/87/30/80/662873080.db2.gz YMAKZEDAMHEMHI-WBVHZDCISA-N 1 0 389.297 2.910 20 0 GFADRO COc1ccc(Br)cc1C(=O)CCC(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000877286504 662873308 /nfs/dbraw/zinc/87/33/08/662873308.db2.gz FFJNDVYVLGEXRY-GJZGRUSLSA-N 1 0 395.297 2.774 20 0 GFADRO COc1cc(C(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)ccc1Br ZINC000877354199 662874135 /nfs/dbraw/zinc/87/41/35/662874135.db2.gz CNFRBAFBVIFQSI-NXEZZACHSA-N 1 0 381.192 2.667 20 0 GFADRO COc1ccc(Cl)cc1NCCC(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000877361305 662874531 /nfs/dbraw/zinc/87/45/31/662874531.db2.gz RKNXGPRWBFFYNT-ZYHUDNBSSA-N 1 0 379.810 2.746 20 0 GFADRO CN(C)c1nc2sc(C(=O)N3C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C3)cc2s1 ZINC000877362237 662874617 /nfs/dbraw/zinc/87/46/17/662874617.db2.gz ZFOQNKKBXHCVHG-SFYZADRCSA-N 1 0 378.445 2.633 20 0 GFADRO C[C@]([NH3+])(C(=O)N1CCO[C@@H](C(F)(F)F)CC1)c1ccc(Br)cc1 ZINC000877383426 662875140 /nfs/dbraw/zinc/87/51/40/662875140.db2.gz ZYKVHSRRBYEKIS-TZMCWYRMSA-N 1 0 395.219 2.803 20 0 GFADRO O=C(N[C@]12CCC[C@@H]1[NH2+]CC2)c1cnn(-c2ccccc2)c1Br ZINC000877387588 662875187 /nfs/dbraw/zinc/87/51/87/662875187.db2.gz OMYMUNZFVGTQHW-YOEHRIQHSA-N 1 0 375.270 2.649 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C(=O)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000877388747 662875260 /nfs/dbraw/zinc/87/52/60/662875260.db2.gz FFMXQMLJNNAMLZ-AEFFLSMTSA-N 1 0 389.297 2.958 20 0 GFADRO CCOC(=O)C[C@@H](NC(=O)c1csc(CC[NH3+])n1)c1ccccc1Cl ZINC000877433544 662875860 /nfs/dbraw/zinc/87/58/60/662875860.db2.gz WNGRPYCPNZHPDN-CYBMUJFWSA-N 1 0 381.885 2.722 20 0 GFADRO CS(=O)(=O)c1cc(C(=O)N2CC[C@H](C[NH3+])c3ccccc32)ccc1Cl ZINC000877429003 662875909 /nfs/dbraw/zinc/87/59/09/662875909.db2.gz RAWWCGATPWTPHX-CYBMUJFWSA-N 1 0 378.881 2.836 20 0 GFADRO CN(CCCCCC[NH3+])C(=O)[C@@H]1CCO[C@H]1c1cncc(Br)c1 ZINC000877437527 662876050 /nfs/dbraw/zinc/87/60/50/662876050.db2.gz JGUBEIJVSAKWKE-CVEARBPZSA-N 1 0 384.318 2.899 20 0 GFADRO CS(=O)(=O)c1cc(C(=O)N2CCC[C@@H](C[C@@H]([NH3+])C3CCCC3)C2)cs1 ZINC000877445000 662876158 /nfs/dbraw/zinc/87/61/58/662876158.db2.gz NUZKEDUFBLSGNF-XJKSGUPXSA-N 1 0 384.567 2.911 20 0 GFADRO O[C@H](CC[NH2+]Cc1cn(C[C@H]2CCCO2)nn1)c1ccc(Cl)c(Cl)c1 ZINC000877529046 662878218 /nfs/dbraw/zinc/87/82/18/662878218.db2.gz RDEYSHFRZJFMKW-RHSMWYFYSA-N 1 0 385.295 2.977 20 0 GFADRO CCO[P@](C)(=O)CC[C@@H](C)[NH2+]Cc1cccc(S(=O)(=O)N(C)C)c1 ZINC000877564422 662878935 /nfs/dbraw/zinc/87/89/35/662878935.db2.gz AFHVIWJATYMZQC-FATZIPQQSA-N 1 0 376.459 2.750 20 0 GFADRO Clc1ccc(CNc2cc(N3CCOCC3)c(Br)c[nH+]2)nn1 ZINC000877577115 662879277 /nfs/dbraw/zinc/87/92/77/662879277.db2.gz ULJOJVGOOBKRNA-UHFFFAOYSA-N 1 0 384.665 2.736 20 0 GFADRO CON(C)C(=O)[C@H](C)[NH2+][C@H]1CCN(C)[C@H](c2ccc(Br)cc2)C1 ZINC000877659787 662881066 /nfs/dbraw/zinc/88/10/66/662881066.db2.gz CKQMILAJIADXIQ-RCBQFDQVSA-N 1 0 384.318 2.582 20 0 GFADRO Cn1nnnc1C1CC[NH+](Cc2ccnc3c(Br)cccc23)CC1 ZINC000877780760 662883430 /nfs/dbraw/zinc/88/34/30/662883430.db2.gz BXDBOKHZJQWBNE-UHFFFAOYSA-N 1 0 387.285 2.900 20 0 GFADRO CONC(=O)C1CC[NH+](Cc2ccnc3c(Br)cccc23)CC1 ZINC000877786163 662883642 /nfs/dbraw/zinc/88/36/42/662883642.db2.gz XKJSQBYMQKTNIQ-UHFFFAOYSA-N 1 0 378.270 2.887 20 0 GFADRO COC(=O)CC[C@H]1CCC[N@H+](Cc2cnn3cc(Br)cnc23)C1 ZINC000877818413 662884916 /nfs/dbraw/zinc/88/49/16/662884916.db2.gz HEOVUPYJWZTUFS-GFCCVEGCSA-N 1 0 381.274 2.657 20 0 GFADRO COCCNC(=O)C1CC[NH+](C[C@@H](O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000877916856 662885852 /nfs/dbraw/zinc/88/58/52/662885852.db2.gz OIJJXEHVVNXZQZ-MRXNPFEDSA-N 1 0 375.296 2.501 20 0 GFADRO COCCCNC(=O)C1CC[NH+](CCc2ccccc2Br)CC1 ZINC000877985835 662887625 /nfs/dbraw/zinc/88/76/25/662887625.db2.gz GCYHEDXBSIAKHA-UHFFFAOYSA-N 1 0 383.330 2.856 20 0 GFADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)Cc2c(Br)cnn2C)C1 ZINC000878248064 662892394 /nfs/dbraw/zinc/89/23/94/662892394.db2.gz PCDKJLQPPQHLGE-OKILXGFUSA-N 1 0 385.350 2.599 20 0 GFADRO C[C@@H]1CN(C[C@@H](O)c2ccc(Cl)c(Cl)c2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000878324880 662893994 /nfs/dbraw/zinc/89/39/94/662893994.db2.gz PMJHKYMZDBSTFR-NIKGAXFTSA-N 1 0 386.367 2.985 20 0 GFADRO COC(=O)c1cn(C2CC[NH+](CCc3ccccc3Br)CC2)nn1 ZINC000878430770 662896194 /nfs/dbraw/zinc/89/61/94/662896194.db2.gz RUZPPPDWCVPJDT-UHFFFAOYSA-N 1 0 393.285 2.707 20 0 GFADRO C[C@](CO)([NH2+]C[C@@H](O)C[C@H](O)c1ccccc1)c1ccc(Br)cc1 ZINC000878602642 662899981 /nfs/dbraw/zinc/89/99/81/662899981.db2.gz BDZWHUHSZZMVRL-GBESFXJTSA-N 1 0 394.309 2.731 20 0 GFADRO OCC1(C[C@H](O)C[N@@H+]2CC[C@H](Oc3cncc(Br)c3)C2)CCCC1 ZINC000878876846 662908064 /nfs/dbraw/zinc/90/80/64/662908064.db2.gz VWABRIOEVJJOKP-HOTGVXAUSA-N 1 0 399.329 2.601 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(C(=O)Nc3ccc([S@@](=O)C(F)(F)F)cc3)CC[C@@H]21 ZINC000878879403 662908246 /nfs/dbraw/zinc/90/82/46/662908246.db2.gz SRMXLFMGDJNEBN-FFAKIYQDSA-N 1 0 375.416 2.872 20 0 GFADRO O=C(Nc1ccc(Br)nc1)N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000878961420 662911398 /nfs/dbraw/zinc/91/13/98/662911398.db2.gz XDSMLENYRMJDRB-CQSZACIVSA-N 1 0 383.290 2.609 20 0 GFADRO OCC[C@@H]([NH2+]CCn1cnc(Br)n1)c1ccc(Cl)c(F)c1 ZINC000879114847 662917559 /nfs/dbraw/zinc/91/75/59/662917559.db2.gz NLWVKLZHPISMGP-GFCCVEGCSA-N 1 0 377.645 2.546 20 0 GFADRO COCCN(CC1CC[NH+](C)CC1)C(=O)Nc1cccc(Br)n1 ZINC000879203422 662920550 /nfs/dbraw/zinc/92/05/50/662920550.db2.gz NCQAJEIVCCNZAW-UHFFFAOYSA-N 1 0 385.306 2.666 20 0 GFADRO Cc1cnc(Br)cc1NC(=O)N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000879278818 662922347 /nfs/dbraw/zinc/92/23/47/662922347.db2.gz UYVGXEUMXVYQMO-CQSZACIVSA-N 1 0 397.317 2.917 20 0 GFADRO CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)Nc2cc(Br)c(F)cc2F)C1 ZINC000879329988 662923403 /nfs/dbraw/zinc/92/34/03/662923403.db2.gz BLIXFCJYHFRFBC-VIFPVBQESA-N 1 0 392.244 2.694 20 0 GFADRO Cc1c(Br)nccc1NC(=O)N(C)CC[NH+]1CC2(C1)CCOCC2 ZINC000879659527 662934318 /nfs/dbraw/zinc/93/43/18/662934318.db2.gz BEUDACXDNUXFPH-UHFFFAOYSA-N 1 0 397.317 2.729 20 0 GFADRO CC[NH+](CC)[C@H](CNC(=O)Nc1cn(C)nc1Br)c1ccco1 ZINC000880043729 662946817 /nfs/dbraw/zinc/94/68/17/662946817.db2.gz QNOHSFGNIAOADR-GFCCVEGCSA-N 1 0 384.278 2.980 20 0 GFADRO FC(F)(F)[C@H]1CCN(CCC[N@@H+]2CCO[C@@H](C(F)(F)F)CC2)CCO1 ZINC000880053967 662948141 /nfs/dbraw/zinc/94/81/41/662948141.db2.gz UXJSTKXIPNOARJ-CHWSQXEVSA-N 1 0 378.357 2.683 20 0 GFADRO O[C@H](CN1CCC[C@@H]([NH2+]C2CCOCC2)C1)c1ccccc1Br ZINC000880203810 662954594 /nfs/dbraw/zinc/95/45/94/662954594.db2.gz MXVHYQZUXGDXIX-CRAIPNDOSA-N 1 0 383.330 2.716 20 0 GFADRO CC(=O)N1C[C@@H]2C[N@@H+](CCCC(=O)c3ccc(Br)cc3)C[C@@H]2C1 ZINC000880312556 662957961 /nfs/dbraw/zinc/95/79/61/662957961.db2.gz QOQPTDZTTAVLFG-IYBDPMFKSA-N 1 0 379.298 2.822 20 0 GFADRO C[NH+](C)CCOCCNC(=O)Nc1cnc2ccccc2c1Br ZINC000880943864 662979103 /nfs/dbraw/zinc/97/91/03/662979103.db2.gz SNZHZSTTWSTQGI-UHFFFAOYSA-N 1 0 381.274 2.697 20 0 GFADRO O=C(c1ccc(Br)c(O)c1)N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000881475632 662995564 /nfs/dbraw/zinc/99/55/64/662995564.db2.gz YVEGOCNSNXRXQA-AWEZNQCLSA-N 1 0 383.286 2.528 20 0 GFADRO NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)CCc2ccc(Cl)s2)CC1 ZINC000881622930 662998295 /nfs/dbraw/zinc/99/82/95/662998295.db2.gz VHCHLDAKTUWDKZ-UHFFFAOYSA-N 1 0 383.945 2.667 20 0 GFADRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(c2ccc3nnc(Br)n3n2)C1 ZINC000881982644 663012183 /nfs/dbraw/zinc/01/21/83/663012183.db2.gz DKSNYQOYZBHRLY-KBPBESRZSA-N 1 0 393.333 2.978 20 0 GFADRO N=[S@@](=O)(c1ccc(N2CC[NH+](C3CCOCC3)CC2)cc1)C(F)(F)F ZINC000882048758 663014981 /nfs/dbraw/zinc/01/49/81/663014981.db2.gz FUFPKSJXBXNOCE-RUZDIDTESA-N 1 0 377.432 2.913 20 0 GFADRO CC(C)[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2cnc(Cl)cc2C(F)(F)F)C1 ZINC000882246541 663022290 /nfs/dbraw/zinc/02/22/90/663022290.db2.gz RNMMUXABFOBXDR-SNVBAGLBSA-N 1 0 385.839 2.857 20 0 GFADRO C[C@@H]1CN(S(=O)(=O)C[C@]2(C)CC2(Cl)Cl)CCN1c1cc[nH+]cc1 ZINC000882619841 663033499 /nfs/dbraw/zinc/03/34/99/663033499.db2.gz WDLQNSLKSKHINN-OCCSQVGLSA-N 1 0 378.325 2.506 20 0 GFADRO C[C@H]1CN(S(=O)(=O)CC[C@@H]2CC2(Cl)Cl)CCN1c1cc[nH+]cc1 ZINC000882619437 663033505 /nfs/dbraw/zinc/03/35/05/663033505.db2.gz KZFPDEVMUVLTCS-QWHCGFSZSA-N 1 0 378.325 2.506 20 0 GFADRO CC(C)CN(CC1CC[NH+](C)CC1)c1ccc2nnc(Br)n2n1 ZINC000882706730 663037417 /nfs/dbraw/zinc/03/74/17/663037417.db2.gz YOKMHQNULCCSQK-UHFFFAOYSA-N 1 0 381.322 2.691 20 0 GFADRO O=S(=O)(NCC[NH2+]Cc1cccc2c1CCOC2)c1ccc(Cl)s1 ZINC000883073873 663047889 /nfs/dbraw/zinc/04/78/89/663047889.db2.gz DQPQDNGEPCOIRY-UHFFFAOYSA-N 1 0 386.926 2.542 20 0 GFADRO COC[C@H]([NH2+]CCC(=O)Nc1ccc(Br)cc1)[C@@H]1CCCOC1 ZINC000883184516 663051043 /nfs/dbraw/zinc/05/10/43/663051043.db2.gz YUIQVNHBVSJRLU-CJNGLKHVSA-N 1 0 385.302 2.809 20 0 GFADRO COC[C@H]([NH2+]C[C@@H](CO)Cc1cccc(Br)c1)[C@@H]1CCCOC1 ZINC000883219071 663051548 /nfs/dbraw/zinc/05/15/48/663051548.db2.gz LQNXCBZWFMZRLF-JZXOWHBKSA-N 1 0 386.330 2.631 20 0 GFADRO Cc1cc(Br)cn2c(C[NH2+]C[C@@H](CO)Cc3ccoc3)cnc12 ZINC000883270792 663052101 /nfs/dbraw/zinc/05/21/01/663052101.db2.gz XMVHJUZMIBQASO-AWEZNQCLSA-N 1 0 378.270 2.939 20 0 GFADRO O=C(Nc1ccc(Br)cc1)C1CCN(C[C@@H]2C[C@H](F)C[NH2+]2)CC1 ZINC000883421036 663055121 /nfs/dbraw/zinc/05/51/21/663055121.db2.gz AJGXXDWVEBWORH-HOCLYGCPSA-N 1 0 384.293 2.800 20 0 GFADRO CC(C)n1ncc2cc(S(=O)(=O)N(CCC[NH3+])CC(F)(F)F)ccc21 ZINC000883470878 663055671 /nfs/dbraw/zinc/05/56/71/663055671.db2.gz KYRAKOQFQBUXBD-UHFFFAOYSA-N 1 0 378.420 2.519 20 0 GFADRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)N[C@H](CO)c2ccc(Br)cc2)C1 ZINC000883496189 663056252 /nfs/dbraw/zinc/05/62/52/663056252.db2.gz PIEATYNCTCMNSQ-HRCADAONSA-N 1 0 384.318 2.655 20 0 GFADRO CN(Cc1ccc2c(c1)OCCO2)C(=O)[C@@H]([NH3+])c1ccc(Br)cc1 ZINC000884055078 663064218 /nfs/dbraw/zinc/06/42/18/663064218.db2.gz BAOOTNDQJJJZPO-KRWDZBQOSA-N 1 0 391.265 2.879 20 0 GFADRO COCC[C@@H]([NH3+])C(=O)Nc1ncc(Cc2ccc(Br)cc2)s1 ZINC000884063834 663064367 /nfs/dbraw/zinc/06/43/67/663064367.db2.gz NSZRUNLKFMPJEQ-CYBMUJFWSA-N 1 0 384.299 2.799 20 0 GFADRO COCC[C@H]([NH3+])C(=O)N1CCCC[C@H]1C(=O)Nc1cc(Cl)ccc1Cl ZINC000884082790 663064629 /nfs/dbraw/zinc/06/46/29/663064629.db2.gz UVNYZXKWGJRGTE-ZFWWWQNUSA-N 1 0 388.295 2.677 20 0 GFADRO CC1(C)C[NH2+]C[C@H]1C(=O)NCC1(c2ccc(Br)cc2)CCOCC1 ZINC000884119199 663065509 /nfs/dbraw/zinc/06/55/09/663065509.db2.gz FUBUFVPULGVNOW-INIZCTEOSA-N 1 0 395.341 2.859 20 0 GFADRO [NH3+][C@@H](CC1CC1)C(=O)NCC1(c2ccc(Br)cc2)CCOCC1 ZINC000884119693 663065524 /nfs/dbraw/zinc/06/55/24/663065524.db2.gz STZKDBIDWIJFBR-INIZCTEOSA-N 1 0 381.314 2.741 20 0 GFADRO [NH3+][C@H](CC1CC1)C(=O)Nc1ccc(CCn2cc(Br)cn2)cc1 ZINC000884151946 663066121 /nfs/dbraw/zinc/06/61/21/663066121.db2.gz YLQVUJKVEOCYQY-MRXNPFEDSA-N 1 0 377.286 2.954 20 0 GFADRO CCO[C@H](C)c1noc(CN(C)C(=O)[C@@H]([NH3+])c2ccc(Br)cc2)n1 ZINC000884160784 663066315 /nfs/dbraw/zinc/06/63/15/663066315.db2.gz OBGOAPHDYVXFHM-YGRLFVJLSA-N 1 0 397.273 2.588 20 0 GFADRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)c1cc(Br)nn1-c1ncccc1Cl ZINC000884245516 663067572 /nfs/dbraw/zinc/06/75/72/663067572.db2.gz XHCZUDIAUDXLRR-VHSXEESVSA-N 1 0 398.692 2.506 20 0 GFADRO C[C@@H]([NH3+])C[C@H](C)NC(=O)c1cc(Br)nn1-c1ncccc1Cl ZINC000884372006 663069678 /nfs/dbraw/zinc/06/96/78/663069678.db2.gz DQHRTGIBISYVKS-BDAKNGLRSA-N 1 0 386.681 2.539 20 0 GFADRO COCC[C@H]([NH3+])C(=O)N[C@@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC000884435523 663070816 /nfs/dbraw/zinc/07/08/16/663070816.db2.gz APXYUEACSXQCEJ-DZGCQCFKSA-N 1 0 380.286 2.788 20 0 GFADRO C[C@@H]1CN(c2cc[nH+]cc2)CCN1S(=O)(=O)C[C@]1(C)CC1(Cl)Cl ZINC000885847849 663099132 /nfs/dbraw/zinc/09/91/32/663099132.db2.gz LPSBKHNICJITRZ-OCCSQVGLSA-N 1 0 378.325 2.506 20 0 GFADRO O=C(CCc1cc(Br)cs1)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000885868946 663099544 /nfs/dbraw/zinc/09/95/44/663099544.db2.gz NUPWKEORDLBGGO-AWEZNQCLSA-N 1 0 387.343 2.813 20 0 GFADRO O=C(NC[C@@H]1CC[N@@H+]1C1CCOCC1)c1cc2c(cccc2Br)[nH]1 ZINC000885866596 663099603 /nfs/dbraw/zinc/09/96/03/663099603.db2.gz ZOJGXSIIZMRUSH-ZDUSSCGKSA-N 1 0 392.297 2.914 20 0 GFADRO O=C(NC[C@H]1CC[N@@H+]1C1CCOCC1)c1[nH]c2ccccc2c1Br ZINC000885864032 663099623 /nfs/dbraw/zinc/09/96/23/663099623.db2.gz YFUNUVNBXOVWHM-CYBMUJFWSA-N 1 0 392.297 2.914 20 0 GFADRO O=C(NC[C@H]1CC[N@@H+]1C1CCOCC1)c1c[nH]c2cccc(Br)c12 ZINC000885876048 663100070 /nfs/dbraw/zinc/10/00/70/663100070.db2.gz NKDAKAMAWWOMQX-CYBMUJFWSA-N 1 0 392.297 2.914 20 0 GFADRO O=C(NC[C@H]1CC[N@@H+]1C1CCOCC1)c1cc(C(F)(F)F)cc(Cl)n1 ZINC000885881866 663100233 /nfs/dbraw/zinc/10/02/33/663100233.db2.gz ATOVRJJVSVVFGH-GFCCVEGCSA-N 1 0 377.794 2.737 20 0 GFADRO Cc1nn(-c2ccccc2Br)cc1C[NH2+][C@H]1CC[C@@H](O)[C@@H](O)CC1 ZINC000886262678 663106516 /nfs/dbraw/zinc/10/65/16/663106516.db2.gz XWWWSPFWNKQUFX-GBEXYDAJSA-N 1 0 394.313 2.697 20 0 GFADRO O[C@@H]1CC[C@@H]([NH2+]Cc2ccc(OC(F)F)c(Br)c2)CC[C@@H]1O ZINC000886260336 663106521 /nfs/dbraw/zinc/10/65/21/663106521.db2.gz UTZLIKIVBGACSQ-UOJUARBOSA-N 1 0 380.229 2.805 20 0 GFADRO COC(=O)c1cc2n(n1)CCC[C@H]2[NH2+]C[C@@H](O)c1cccc(Br)c1 ZINC000886551094 663113581 /nfs/dbraw/zinc/11/35/81/663113581.db2.gz BCTIWGUCHACOHX-CZUORRHYSA-N 1 0 394.269 2.590 20 0 GFADRO OCCOCC1(O)CC[NH+]([C@H]2CCCc3ccc(Br)cc32)CC1 ZINC000886747178 663117037 /nfs/dbraw/zinc/11/70/37/663117037.db2.gz NBFMJLXUVMCGMD-KRWDZBQOSA-N 1 0 384.314 2.662 20 0 GFADRO CN(Cc1cc(Br)cs1)C(=O)C[N@@H+]1CC[C@@H]([C@H]2CCCO2)C1 ZINC000886830567 663120817 /nfs/dbraw/zinc/12/08/17/663120817.db2.gz UBCVQWBFJYCRAW-IUODEOHRSA-N 1 0 387.343 2.970 20 0 GFADRO CN(CCC(=O)NC1(c2ncc(Br)cn2)CCC1)c1cc[nH+]cc1 ZINC000886840590 663121985 /nfs/dbraw/zinc/12/19/85/663121985.db2.gz IYLIEAKTYXVLOJ-UHFFFAOYSA-N 1 0 390.285 2.656 20 0 GFADRO NC(=O)[C@@H](c1ccc(Br)cc1F)N1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886871753 663123305 /nfs/dbraw/zinc/12/33/05/663123305.db2.gz ACKQZJMKSATEEU-NVXWUHKLSA-N 1 0 384.293 2.580 20 0 GFADRO Cc1cc(Cl)cc(C)c1S(=O)(=O)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000886887914 663123463 /nfs/dbraw/zinc/12/34/63/663123463.db2.gz LDHJBSZTHQJHAK-UAGQMJEPSA-N 1 0 386.945 2.864 20 0 GFADRO Cc1csc(-c2ccc(S(=O)(=O)NC[C@H]3C[NH2+]CCC3(F)F)cc2)n1 ZINC000886897806 663124081 /nfs/dbraw/zinc/12/40/81/663124081.db2.gz IPCSKORUWUSIMC-CYBMUJFWSA-N 1 0 387.477 2.642 20 0 GFADRO CCOc1ccc(S(=O)(=O)NC[C@@H]2C[NH2+]CCC2(F)F)cc1C(C)C ZINC000886899663 663124213 /nfs/dbraw/zinc/12/42/13/663124213.db2.gz QQBKGEWKGDJWLM-ZDUSSCGKSA-N 1 0 376.469 2.732 20 0 GFADRO COC[C@H]([NH2+]C[C@@H](O)c1ccc(F)c(Br)c1)[C@H]1CCCOC1 ZINC000886915387 663124921 /nfs/dbraw/zinc/12/49/21/663124921.db2.gz CZMSBDHYVHDNPQ-VBNZEHGJSA-N 1 0 376.266 2.653 20 0 GFADRO Cn1c(Cl)cnc1-c1csc(NC(=O)NC[C@@H]2C[NH2+]CCC2(F)F)n1 ZINC000886971490 663126814 /nfs/dbraw/zinc/12/68/14/663126814.db2.gz WPUJTOIORZDMBV-QMMMGPOBSA-N 1 0 390.847 2.563 20 0 GFADRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)Nc1cc(Br)c2ccccc2c1 ZINC000886984356 663127365 /nfs/dbraw/zinc/12/73/65/663127365.db2.gz YDFCKHZQAAPODI-BZNIZROVSA-N 1 0 390.281 2.655 20 0 GFADRO C[C@H]1Cc2cc(-c3csc([C@@H]4CCC[NH2+]C4)n3)ccc2N1S(C)(=O)=O ZINC000887275428 663140601 /nfs/dbraw/zinc/14/06/01/663140601.db2.gz FRDSNMFDQHYLQF-GXTWGEPZSA-N 1 0 377.535 2.988 20 0 GFADRO O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1nn2c(c1Br)CCC2 ZINC000887712792 663158670 /nfs/dbraw/zinc/15/86/70/663158670.db2.gz XVAQRMHGEHGEGA-CQSZACIVSA-N 1 0 389.297 2.596 20 0 GFADRO C[C@H]1CO[C@H](C(=O)Nc2cc(Br)ccc2N2CC[NH+](C)CC2)C1 ZINC000887743949 663160023 /nfs/dbraw/zinc/16/00/23/663160023.db2.gz MNCLSHXDRQAHED-WBMJQRKESA-N 1 0 382.302 2.564 20 0 GFADRO C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)Nc1cncc(Br)c1 ZINC000887923420 663170045 /nfs/dbraw/zinc/17/00/45/663170045.db2.gz ALEOWSRYNZJITG-GFCCVEGCSA-N 1 0 376.258 2.982 20 0 GFADRO C[NH+](C)CCOc1cccc(NC(=O)c2nn3c(c2Br)CCC3)c1 ZINC000888262755 663184939 /nfs/dbraw/zinc/18/49/39/663184939.db2.gz PHOWGUCYPQTOPA-UHFFFAOYSA-N 1 0 393.285 2.785 20 0 GFADRO C[C@H]1C[C@@H](C(=O)Nc2cc(N3CCCS3(=O)=O)ccc2Cl)CC[N@@H+]1C ZINC000888774354 663214623 /nfs/dbraw/zinc/21/46/23/663214623.db2.gz QKXUQNSENJYXOE-STQMWFEESA-N 1 0 385.917 2.549 20 0 GFADRO Cc1ccc2[nH]c(C(=O)N3CCN(C)CC[N@@H+](C)CC3)cc2c1Br ZINC000888976356 663227756 /nfs/dbraw/zinc/22/77/56/663227756.db2.gz MKQZNLSZDFJOEB-UHFFFAOYSA-N 1 0 393.329 2.558 20 0 GFADRO CC[C@H](Cc1ccccc1Br)C(=O)N1CCN(C)CC[N@H+](C)CC1 ZINC000888989763 663228663 /nfs/dbraw/zinc/22/86/63/663228663.db2.gz YKWPAYHXUYYTFK-MRXNPFEDSA-N 1 0 396.373 2.724 20 0 GFADRO O=C(NCc1ncc(Br)cn1)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000889717772 663259364 /nfs/dbraw/zinc/25/93/64/663259364.db2.gz SDJLBFCAQXFERV-HNNXBMFYSA-N 1 0 375.270 2.520 20 0 GFADRO O=C(NCc1ncc(Br)cn1)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000889717773 663259502 /nfs/dbraw/zinc/25/95/02/663259502.db2.gz SDJLBFCAQXFERV-OAHLLOKOSA-N 1 0 375.270 2.520 20 0 GFADRO O=C(CCc1cccc(F)c1Br)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000889749926 663263005 /nfs/dbraw/zinc/26/30/05/663263005.db2.gz KBBONCPVWHMZLY-HOTGVXAUSA-N 1 0 399.304 2.578 20 0 GFADRO CC(C)(C(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO)c1ccccc1Br ZINC000889755293 663263598 /nfs/dbraw/zinc/26/35/98/663263598.db2.gz HTOKWMRHEOXFJX-SJORKVTESA-N 1 0 395.341 2.784 20 0 GFADRO C[NH+]1CCC(NC(=O)C(=O)Nc2cc(Br)c3ccccc3c2)CC1 ZINC000889763001 663264790 /nfs/dbraw/zinc/26/47/90/663264790.db2.gz HKSRIROKFBGJEI-UHFFFAOYSA-N 1 0 390.281 2.751 20 0 GFADRO C[C@H](C(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO)c1ccc(Br)s1 ZINC000889767282 663265117 /nfs/dbraw/zinc/26/51/17/663265117.db2.gz GVFCOIHSMYRQEZ-XQQFMLRXSA-N 1 0 387.343 2.672 20 0 GFADRO O=C(c1cc2ccc(Br)cc2[nH]1)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000889775330 663266007 /nfs/dbraw/zinc/26/60/07/663266007.db2.gz MBQWLRGFEDQMCQ-SJORKVTESA-N 1 0 392.297 2.602 20 0 GFADRO O=C(c1c[nH]c2ccc(Br)cc12)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000889778997 663266360 /nfs/dbraw/zinc/26/63/60/663266360.db2.gz CBULBBVZYSCWDH-DLBZAZTESA-N 1 0 392.297 2.602 20 0 GFADRO COC(=O)[C@H](c1cccc(Br)c1)N(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000889802484 663267830 /nfs/dbraw/zinc/26/78/30/663267830.db2.gz FQJQOROYNNAYAA-NOLJZWGESA-N 1 0 397.313 2.852 20 0 GFADRO C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)c1sc(Cl)nc1C(F)(F)F ZINC000890010013 663280890 /nfs/dbraw/zinc/28/08/90/663280890.db2.gz WLRZRVCUSZPNJJ-VIFPVBQESA-N 1 0 384.855 2.571 20 0 GFADRO CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)Nc1cccc(F)c1Br ZINC000890161648 663286871 /nfs/dbraw/zinc/28/68/71/663286871.db2.gz DGZIRKXWIOCIGW-LLVKDONJSA-N 1 0 386.265 2.517 20 0 GFADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)Nc1cccc(F)c1Br ZINC000890161649 663286912 /nfs/dbraw/zinc/28/69/12/663286912.db2.gz DGZIRKXWIOCIGW-NSHDSACASA-N 1 0 386.265 2.517 20 0 GFADRO C[N@H+](CC(=O)NCc1csc(NC(=O)OC(C)(C)C)n1)[C@@H]1CCSC1 ZINC000890390139 663298847 /nfs/dbraw/zinc/29/88/47/663298847.db2.gz YRVYAAPQSYWCJR-GFCCVEGCSA-N 1 0 386.543 2.544 20 0 GFADRO CN(CC(C)(C)C[NH+](C)C)C(=O)c1cc(=O)c2cc(Br)ccc2[nH]1 ZINC000890883241 663315770 /nfs/dbraw/zinc/31/57/70/663315770.db2.gz OKZBLYWGHANJDA-UHFFFAOYSA-N 1 0 394.313 2.950 20 0 GFADRO [NH3+]Cc1nc2c(s1)CCN(C(=O)NCc1cc(Br)cs1)C2 ZINC000891368588 663337665 /nfs/dbraw/zinc/33/76/65/663337665.db2.gz FJONPPFEXFVVKG-UHFFFAOYSA-N 1 0 387.328 2.694 20 0 GFADRO C[C@@H](NC(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2)c1ccc(Br)cc1 ZINC000891448884 663339814 /nfs/dbraw/zinc/33/98/14/663339814.db2.gz WXGZREFGMSQLPC-CZUORRHYSA-N 1 0 396.329 2.968 20 0 GFADRO [NH3+][C@H]1C[C@@H](CNC(=O)NCC2(c3ccc(Br)cc3)CCOCC2)C1 ZINC000891479152 663340654 /nfs/dbraw/zinc/34/06/54/663340654.db2.gz PLKMELHGGFVOQW-AKAXFMLLSA-N 1 0 396.329 2.534 20 0 GFADRO O=C(NC[C@H]1C[NH2+]CCC1(F)F)N[C@@H]1CCc2c1cccc2Br ZINC000891501322 663341665 /nfs/dbraw/zinc/34/16/65/663341665.db2.gz BPMPMSZHPOKPJT-QMTHXVAHSA-N 1 0 388.256 2.980 20 0 GFADRO CO[C@H](CNC(=O)N1CCc2sc(C[NH3+])nc2C1)c1cccc(Cl)c1 ZINC000891618152 663345592 /nfs/dbraw/zinc/34/55/92/663345592.db2.gz XVARIVCULJRINL-CQSZACIVSA-N 1 0 380.901 2.711 20 0 GFADRO COc1cc(Br)ccc1CNC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000891818501 663351848 /nfs/dbraw/zinc/35/18/48/663351848.db2.gz JNQABQRELIJZKS-SHHSBJBSSA-N 1 0 382.302 2.788 20 0 GFADRO C[C@@H](NC(=O)N[C@@H]1[C@H]2Cc3cc(Br)ccc3[C@@H]12)[C@@H]1CCC[NH2+]C1 ZINC000891981725 663357576 /nfs/dbraw/zinc/35/75/76/663357576.db2.gz OGKZBFNWUYFEGT-CKSWIOAOSA-N 1 0 378.314 2.775 20 0 GFADRO O=C(N[C@@H]1CCC[NH2+]C1)N1CC2(CCOCC2)c2ccc(Br)cc21 ZINC000892012663 663358866 /nfs/dbraw/zinc/35/88/66/663358866.db2.gz AWYYXQVLNWRSPU-CQSZACIVSA-N 1 0 394.313 2.779 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H](NC(=O)NCc2ccn(-c3ccc(Br)cc3)n2)C1 ZINC000892087776 663361444 /nfs/dbraw/zinc/36/14/44/663361444.db2.gz CHRSEPACJURNPI-ZIAGYGMSSA-N 1 0 392.301 2.704 20 0 GFADRO COC(=O)c1ccc(CNC(=O)N(CC[NH3+])Cc2cccc(Cl)c2)s1 ZINC000892189875 663365160 /nfs/dbraw/zinc/36/51/60/663365160.db2.gz ZOERIAPEOGZPKF-UHFFFAOYSA-N 1 0 381.885 2.859 20 0 GFADRO O=C(N[C@H]1[C@@H]2Cc3cc(Br)ccc3[C@@H]21)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000892427114 663373431 /nfs/dbraw/zinc/37/34/31/663373431.db2.gz LBOHXIJTEOCNGL-DFEOGRTESA-N 1 0 390.325 2.872 20 0 GFADRO C[C@]1(Br)C[C@@H]1C[NH2+]Cc1cccc(C(=O)NC[C@H]2CCCO2)c1 ZINC000892678965 663380902 /nfs/dbraw/zinc/38/09/02/663380902.db2.gz KDEJRZVBDZMRMM-NUJGCVRESA-N 1 0 381.314 2.859 20 0 GFADRO Brc1cnc(N2CC[C@H](C[NH+]3CCOCC3)C2)c2ncccc12 ZINC000892680817 663381097 /nfs/dbraw/zinc/38/10/97/663381097.db2.gz UPMOBMLSOWPMSX-CYBMUJFWSA-N 1 0 377.286 2.551 20 0 GFADRO C[C@]1(NC(=O)[C@H]2CCOc3ccc(Br)cc32)C[NH+]2CCC1CC2 ZINC000892765585 663384122 /nfs/dbraw/zinc/38/41/22/663384122.db2.gz BVTHFLPEZNNVCZ-KSSFIOAISA-N 1 0 379.298 2.916 20 0 GFADRO Cc1cccc(C(=O)N[C@@]2(C)C[NH+]3CCC2CC3)c1I ZINC000892790010 663384916 /nfs/dbraw/zinc/38/49/16/663384916.db2.gz WTKOMUGOIVHUEJ-INIZCTEOSA-N 1 0 384.261 2.814 20 0 GFADRO CC(=O)N1CCN(c2ccccc2C[NH2+]C[C@H]2C[C@]2(C)Br)CC1 ZINC000892797564 663385062 /nfs/dbraw/zinc/38/50/62/663385062.db2.gz UKSUBRINWVMFNM-AEFFLSMTSA-N 1 0 380.330 2.618 20 0 GFADRO CCn1cc(C[NH2+]CCSCCOc2cccc(Br)c2)nn1 ZINC000892975594 663391871 /nfs/dbraw/zinc/39/18/71/663391871.db2.gz OKLNBFDYSOOYDX-UHFFFAOYSA-N 1 0 385.331 2.962 20 0 GFADRO CCCOc1ccc(C[NH2+][C@H](C)[C@H]2CCS(=O)(=O)C2)c(OC(F)F)c1 ZINC000893104403 663396711 /nfs/dbraw/zinc/39/67/11/663396711.db2.gz YAMCGLUGCMRNSB-OCCSQVGLSA-N 1 0 377.453 2.990 20 0 GFADRO CCC[NH+]1CCC(NC(=O)N[C@@](C)(CO)c2cccc(Br)c2)CC1 ZINC000893250023 663404060 /nfs/dbraw/zinc/40/40/60/663404060.db2.gz WORSJHWKWBEWFJ-SFHVURJKSA-N 1 0 398.345 2.830 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)[C@H]1CCS(=O)(=O)C1 ZINC000893397701 663409656 /nfs/dbraw/zinc/40/96/56/663409656.db2.gz DACOOUYEWCCUHF-ZIBATOQPSA-N 1 0 391.320 2.512 20 0 GFADRO O=C1OCCN1c1ccc(C[NH2+]Cc2ncc(Br)cc2O)cc1 ZINC000893506762 663413332 /nfs/dbraw/zinc/41/33/32/663413332.db2.gz ZCANVGDPDKYHKL-UHFFFAOYSA-N 1 0 378.226 2.796 20 0 GFADRO COc1cc(Br)ccc1CCC[NH2+][C@@H](C)[C@@H]1CCS(=O)(=O)C1 ZINC000893528359 663413832 /nfs/dbraw/zinc/41/38/32/663413832.db2.gz XHTHUANEJGUPJN-GXTWGEPZSA-N 1 0 390.343 2.803 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCN(c2ccccc2C(F)(F)F)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000893684470 663420196 /nfs/dbraw/zinc/42/01/96/663420196.db2.gz BGFFWTDZNBJVRP-BFHYXJOUSA-N 1 0 376.444 2.697 20 0 GFADRO Brc1cnc(N2CCC[C@@H](C[NH+]3CCOCC3)C2)c2ncccc12 ZINC000893699321 663421103 /nfs/dbraw/zinc/42/11/03/663421103.db2.gz JZLKKDHWUBYMHW-AWEZNQCLSA-N 1 0 391.313 2.941 20 0 GFADRO OCC[N@H+](Cc1cc(Br)cs1)[C@H]1CCC2(C[C@@H]1F)OCCO2 ZINC000894022761 663437971 /nfs/dbraw/zinc/43/79/71/663437971.db2.gz CVPGEDRKCYJCIN-KBPBESRZSA-N 1 0 394.306 2.939 20 0 GFADRO CCn1cccc(C[NH2+]Cc2ccc(Br)cc2NC(C)=O)c1=O ZINC000894106553 663442686 /nfs/dbraw/zinc/44/26/86/663442686.db2.gz LZUMLRASEPQNGW-UHFFFAOYSA-N 1 0 378.270 2.879 20 0 GFADRO Cn1ncc(I)c1C[NH2+]CCCOc1ccccc1F ZINC000894156047 663445873 /nfs/dbraw/zinc/44/58/73/663445873.db2.gz IXBVWAIKKWEUTO-UHFFFAOYSA-N 1 0 389.212 2.723 20 0 GFADRO O=c1ccc2c([nH]1)CCC[C@@H]2[NH2+]Cc1sc(N2CCOCC2)nc1Cl ZINC000894163479 663446399 /nfs/dbraw/zinc/44/63/99/663446399.db2.gz XMTFZWDEEMDEBD-LBPRGKRZSA-N 1 0 380.901 2.901 20 0 GFADRO CC(C)(C[NH2+]CC1(OCCO)CCOCC1)c1ccc(Br)cc1 ZINC000894262163 663451858 /nfs/dbraw/zinc/45/18/58/663451858.db2.gz UNLAQPJCSPZRIW-UHFFFAOYSA-N 1 0 386.330 2.874 20 0 GFADRO C[C@@H]1C[C@@H]([NH2+]Cc2cc3ccnc(Cl)c3s2)C(=O)N1c1cnn(C)c1 ZINC000894312746 663453670 /nfs/dbraw/zinc/45/36/70/663453670.db2.gz MXSIDUWYLXXANP-QMTHXVAHSA-N 1 0 375.885 2.967 20 0 GFADRO Cc1cc(C[C@H](C)[NH2+]Cc2nc(Br)nn2C)n(-c2ccccc2)n1 ZINC000894360569 663457576 /nfs/dbraw/zinc/45/75/76/663457576.db2.gz ZEXHDHKJKQGXCY-LBPRGKRZSA-N 1 0 389.301 2.793 20 0 GFADRO Cc1cc(C[C@@H](C)[NH2+]Cc2nc(Br)nn2C)n(-c2ccccc2)n1 ZINC000894360568 663457604 /nfs/dbraw/zinc/45/76/04/663457604.db2.gz ZEXHDHKJKQGXCY-GFCCVEGCSA-N 1 0 389.301 2.793 20 0 GFADRO C[C@H](C[C@H](O)c1ccccc1)[NH2+]Cc1cn(C)nc1I ZINC000894366462 663457906 /nfs/dbraw/zinc/45/79/06/663457906.db2.gz GXQZSRWTEJLBKB-RISCZKNCSA-N 1 0 385.249 2.627 20 0 GFADRO CCc1[nH]c(C[NH2+][C@@H](CO)c2ccc(Br)cc2)cc1C(=O)OC ZINC000894367368 663458362 /nfs/dbraw/zinc/45/83/62/663458362.db2.gz KKDMNYFKQOHSPO-INIZCTEOSA-N 1 0 381.270 2.949 20 0 GFADRO C[C@](CO)([NH2+][C@@H]1CCC2(C[C@@H]1F)OCCO2)c1ccc(Br)cc1 ZINC000894401336 663459755 /nfs/dbraw/zinc/45/97/55/663459755.db2.gz CSDDPBUPBNXHOA-ARFHVFGLSA-N 1 0 388.277 2.880 20 0 GFADRO CC[N@H+](CCNC(=O)NCc1cc(C(F)(F)F)on1)CCC(F)(F)F ZINC000894428878 663461096 /nfs/dbraw/zinc/46/10/96/663461096.db2.gz UPIXRDYGSMXOAU-UHFFFAOYSA-N 1 0 376.301 2.767 20 0 GFADRO CN1C(=O)NC2(CC[NH+](CC(C)(C)c3ccc(Br)cc3)CC2)C1=O ZINC000894472904 663463844 /nfs/dbraw/zinc/46/38/44/663463844.db2.gz WRGLATDJVPOCMN-UHFFFAOYSA-N 1 0 394.313 2.743 20 0 GFADRO Cn1nc(Br)nc1CNC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000894495495 663465301 /nfs/dbraw/zinc/46/53/01/663465301.db2.gz SQZPQZDDUQYHRH-QGZVFWFLSA-N 1 0 378.318 2.722 20 0 GFADRO O=S(=O)(c1ccccc1)N1CC[C@H](NCc2csc(C(F)(F)F)n2)C1 ZINC000894517118 663466645 /nfs/dbraw/zinc/46/66/45/663466645.db2.gz FHSWXRZNJWUMQN-NSHDSACASA-N 1 0 391.440 2.715 20 0 GFADRO COC(=O)c1cnc(C[NH2+]C[C@@H](CO)Cc2ccc(Br)cc2)s1 ZINC000894562482 663468653 /nfs/dbraw/zinc/46/86/53/663468653.db2.gz OULXCCNBHZQILT-LBPRGKRZSA-N 1 0 399.310 2.633 20 0 GFADRO Cn1cc(C[NH2+]CCc2cccc3[nH]ccc32)c(I)n1 ZINC000894669848 663475557 /nfs/dbraw/zinc/47/55/57/663475557.db2.gz BFQAIHMJMIMXMG-UHFFFAOYSA-N 1 0 380.233 2.838 20 0 GFADRO Cn1nc(Br)nc1CN[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000894676413 663475576 /nfs/dbraw/zinc/47/55/76/663475576.db2.gz PXQKQLKWFFXSNG-OAHLLOKOSA-N 1 0 392.345 2.968 20 0 GFADRO C[C@@H]1CC(CC[NH2+]Cc2c(I)cnn2C)C[C@@H](C)O1 ZINC000894684628 663475822 /nfs/dbraw/zinc/47/58/22/663475822.db2.gz NPHMUCPJRMLMTD-GHMZBOCLSA-N 1 0 377.270 2.708 20 0 GFADRO C[C@@H]1CC[N@H+](CCNC(=O)N[C@@H](c2cncc(Br)c2)C2CC2)C1 ZINC000894688861 663476213 /nfs/dbraw/zinc/47/62/13/663476213.db2.gz BWZMSGXQNNOQRX-MLGOLLRUSA-N 1 0 381.318 2.936 20 0 GFADRO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)N[C@H](c2cncc(Br)c2)C2CC2)C1 ZINC000894691158 663476612 /nfs/dbraw/zinc/47/66/12/663476612.db2.gz XLJSIJNNKNQWIV-RCBQFDQVSA-N 1 0 379.302 2.641 20 0 GFADRO COc1ccc(C[NH2+]C[C@H](CO)Cc2ccc(OC)c(Br)c2)nc1 ZINC000894750935 663479418 /nfs/dbraw/zinc/47/94/18/663479418.db2.gz NMOSSFCXFILQIP-CQSZACIVSA-N 1 0 395.297 2.802 20 0 GFADRO CO[C@@H](C[NH2+]Cc1sc(N2CCOCC2)nc1Cl)Cc1ccccc1 ZINC000894875061 663486102 /nfs/dbraw/zinc/48/61/02/663486102.db2.gz ZZZCNISMONIQGA-OAHLLOKOSA-N 1 0 381.929 2.980 20 0 GFADRO CCOC(=O)[C@@H]1CCCC[C@@H]1[NH2+]Cc1sc(N2CCOCC2)nc1Cl ZINC000894904745 663487713 /nfs/dbraw/zinc/48/77/13/663487713.db2.gz PUPZVOXBGJXCHM-OLZOCXBDSA-N 1 0 387.933 2.845 20 0 GFADRO C[NH+](C)CC1(O)CCN(c2ncncc2-c2ccc(Br)cc2)CC1 ZINC000894954674 663491359 /nfs/dbraw/zinc/49/13/59/663491359.db2.gz MKAKTNRELGGQON-UHFFFAOYSA-N 1 0 391.313 2.799 20 0 GFADRO C[C@H](CCCc1cccnc1)[NH2+]Cc1cn(C)nc1I ZINC000894982500 663492987 /nfs/dbraw/zinc/49/29/87/663492987.db2.gz CXTTVVHZXWQCRD-GFCCVEGCSA-N 1 0 384.265 2.921 20 0 GFADRO OC[C@@H](C[NH2+]Cc1sc(N2CCOCC2)nc1Cl)c1ccc(F)cc1 ZINC000894992575 663493916 /nfs/dbraw/zinc/49/39/16/663493916.db2.gz ALXYWUKHCOIZLG-CYBMUJFWSA-N 1 0 385.892 2.638 20 0 GFADRO CC[C@@H](C[NH2+]Cc1nc(Br)c(Br)n1CC)C(=O)OC ZINC000895136425 663500678 /nfs/dbraw/zinc/50/06/78/663500678.db2.gz UZJSGALMHSRBCQ-QMMMGPOBSA-N 1 0 397.111 2.717 20 0 GFADRO C[C@H](C[NH2+]Cc1sc(N2CCOCC2)nc1Cl)C(=O)OC(C)(C)C ZINC000895188638 663502201 /nfs/dbraw/zinc/50/22/01/663502201.db2.gz POLIIVVHPROVGQ-LLVKDONJSA-N 1 0 375.922 2.701 20 0 GFADRO Cn1ncc(I)c1C[NH2+][C@@H]1CCC[C@@H]1Cc1ccccn1 ZINC000895277822 663506340 /nfs/dbraw/zinc/50/63/40/663506340.db2.gz CEVHSDUCPSBAJI-IUODEOHRSA-N 1 0 396.276 2.921 20 0 GFADRO C[C@@H](C[NH2+]Cc1sc(N2CCOCC2)nc1Cl)CC1(C)OCCO1 ZINC000895418756 663513268 /nfs/dbraw/zinc/51/32/68/663513268.db2.gz PNHQJANMWOGXRJ-GFCCVEGCSA-N 1 0 375.922 2.512 20 0 GFADRO CN1Cc2ccccc2[C@@H]1C[NH2+]Cc1sc(N2CCOCC2)nc1Cl ZINC000895457275 663515029 /nfs/dbraw/zinc/51/50/29/663515029.db2.gz DMMNFRZPIIQXSA-HNNXBMFYSA-N 1 0 378.929 2.909 20 0 GFADRO CCc1ccc([C@H](CNC(=O)c2cn(C)nc2Br)[NH+](C)C)cc1 ZINC000895461505 663515537 /nfs/dbraw/zinc/51/55/37/663515537.db2.gz LRNQORQWOQYLPU-HNNXBMFYSA-N 1 0 379.302 2.778 20 0 GFADRO CCO/C=C/[C@@](O)(C[NH2+]C1CCN(CCC(F)(F)F)CC1)C(F)(F)F ZINC000895710864 663524441 /nfs/dbraw/zinc/52/44/41/663524441.db2.gz OBPDLPLHIIXDRZ-BCRSCGJKSA-N 1 0 378.357 2.836 20 0 GFADRO COc1ccc(F)cc1CC[NH2+]Cc1cn(C)nc1I ZINC000895805667 663528264 /nfs/dbraw/zinc/52/82/64/663528264.db2.gz YBTHDDYWESHOCB-UHFFFAOYSA-N 1 0 389.212 2.505 20 0 GFADRO C[NH+]1CCC2(CCN2C(=O)N[C@@H]2[C@H]3Cc4c(cccc4Br)[C@@H]23)CC1 ZINC000896077348 663540033 /nfs/dbraw/zinc/54/00/33/663540033.db2.gz JAGLEWMCCLNNFD-USXIJHARSA-N 1 0 390.325 2.967 20 0 GFADRO FC(F)(F)[C@@H]1CC[C@@H](C[NH2+]Cc2sc(N3CCOCC3)nc2Cl)O1 ZINC000896280630 663548878 /nfs/dbraw/zinc/54/88/78/663548878.db2.gz PAXVKWVRGXACEM-ONGXEEELSA-N 1 0 385.839 2.833 20 0 GFADRO C[NH+]1CCC(N2CC[C@@H](NC(=O)c3cc4c(cncc4Cl)s3)C2)CC1 ZINC000896325381 663551287 /nfs/dbraw/zinc/55/12/87/663551287.db2.gz PDEXXPVBATXKGF-GFCCVEGCSA-N 1 0 378.929 2.848 20 0 GFADRO C[C@@H](NC(=O)c1ccc2ccc(Br)cc2c1)[C@H]1C[N@H+](C)CCN1C ZINC000896525962 663560419 /nfs/dbraw/zinc/56/04/19/663560419.db2.gz CJLCNWWTOUHKMG-FZKQIMNGSA-N 1 0 390.325 2.966 20 0 GFADRO CSc1cc(Br)ccc1C(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCN1C ZINC000896532769 663561355 /nfs/dbraw/zinc/56/13/55/663561355.db2.gz MCRGEWJPSKYCQA-FZMZJTMJSA-N 1 0 386.359 2.535 20 0 GFADRO C[C@H](CC(=O)N[C@H](C)[C@H]1C[N@H+](C)CCN1C)c1ccc(Br)cc1 ZINC000896551268 663563441 /nfs/dbraw/zinc/56/34/41/663563441.db2.gz DQTIBAKIAJIYRJ-CKEIUWERSA-N 1 0 382.346 2.693 20 0 GFADRO CC[C@@H](CN1CCOCC1)[NH2+]Cc1ccc(Br)cc1NC(C)=O ZINC000896619384 663568442 /nfs/dbraw/zinc/56/84/42/663568442.db2.gz USWOMIFDHAXIGZ-INIZCTEOSA-N 1 0 384.318 2.608 20 0 GFADRO C[C@H]1CCN(C(=O)c2cn(C)nc2Br)CC[N@@H+]1Cc1ccccc1 ZINC000896758628 663574783 /nfs/dbraw/zinc/57/47/83/663574783.db2.gz NXOIZPIUPZGJPX-AWEZNQCLSA-N 1 0 391.313 2.919 20 0 GFADRO FC(F)(F)CN1CCC[C@@H]1C[NH2+]Cc1cnn2cc(Br)cnc12 ZINC000896838966 663578860 /nfs/dbraw/zinc/57/88/60/663578860.db2.gz IBQATAZYSGKPLJ-GFCCVEGCSA-N 1 0 392.223 2.608 20 0 GFADRO O=C(c1nn2c(c1Br)CCC2)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000897104559 663591883 /nfs/dbraw/zinc/59/18/83/663591883.db2.gz FVXJHPGASAERQN-TZMCWYRMSA-N 1 0 393.329 2.681 20 0 GFADRO OCC[N@@H+]1CCC[C@H]2[C@H]1CCN2c1nc(-c2ccc(Br)cc2)no1 ZINC000897219999 663595236 /nfs/dbraw/zinc/59/52/36/663595236.db2.gz RDANYPFVNLMYCQ-CABCVRRESA-N 1 0 393.285 2.535 20 0 GFADRO OCC[N@@H+]1CCC[C@@H]2[C@@H]1CCN2c1ccc(Br)c(C(F)(F)F)n1 ZINC000897221330 663595519 /nfs/dbraw/zinc/59/55/19/663595519.db2.gz LMZRVLJORXHROD-NWDGAFQWSA-N 1 0 394.235 2.898 20 0 GFADRO CCOC(=O)C1([C@@H](C)[NH2+]Cc2cccc(O)c2Br)CCOCC1 ZINC000897741793 663618248 /nfs/dbraw/zinc/61/82/48/663618248.db2.gz VJCOSYCGERCXTB-GFCCVEGCSA-N 1 0 386.286 2.993 20 0 GFADRO C[C@H](NC(=O)C1C[NH+](C2CCOCC2)C1)c1ccc(Br)cc1F ZINC000897752275 663618436 /nfs/dbraw/zinc/61/84/36/663618436.db2.gz WYDZCMRIWIAUTI-NSHDSACASA-N 1 0 385.277 2.876 20 0 GFADRO COc1cc(C[NH2+][C@@H]2Cc3cc(Br)cnc3NC2=O)cc(OC)c1 ZINC000897977480 663628020 /nfs/dbraw/zinc/62/80/20/663628020.db2.gz IBOAOJZZZBNRLB-OAHLLOKOSA-N 1 0 392.253 2.514 20 0 GFADRO CC1(C)CC2(CC([NH2+][C@@H]3Cc4cc(Br)cnc4NC3=O)C2)CO1 ZINC000897978665 663628585 /nfs/dbraw/zinc/62/85/85/663628585.db2.gz SNEKYKTWNDHPLF-UIORMTCPSA-N 1 0 380.286 2.645 20 0 GFADRO COC(=O)c1cc2n(n1)CCC[C@H]2[NH2+]Cc1cncc(Br)c1C ZINC000897987001 663629169 /nfs/dbraw/zinc/62/91/69/663629169.db2.gz MUAAKLRHKSSPBJ-CYBMUJFWSA-N 1 0 379.258 2.760 20 0 GFADRO COc1nn(C)cc1C[NH2+]Cc1cc(C)c(I)cc1C ZINC000898022488 663630389 /nfs/dbraw/zinc/63/03/89/663630389.db2.gz GZIVVSDFVLLSDJ-UHFFFAOYSA-N 1 0 385.249 2.940 20 0 GFADRO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]C[C@@H]1CCCC(C)(C)O1 ZINC000898049956 663631299 /nfs/dbraw/zinc/63/12/99/663631299.db2.gz NZQYJDGBDXOXNN-KBPBESRZSA-N 1 0 389.949 2.642 20 0 GFADRO Fc1ccc(C[NH2+][C@H]2CCOC23CCOCC3)c(I)c1 ZINC000898114555 663634325 /nfs/dbraw/zinc/63/43/25/663634325.db2.gz DWNBVQBWPIPDIH-AWEZNQCLSA-N 1 0 391.224 2.858 20 0 GFADRO Cc1ccc(CC(=O)N2CCC(CO)([NH2+]CC3CC3)CC2)cc1Br ZINC000898113569 663634360 /nfs/dbraw/zinc/63/43/60/663634360.db2.gz FEOYFSSAWXJPHQ-UHFFFAOYSA-N 1 0 395.341 2.653 20 0 GFADRO O=C(c1ccc(Br)c(F)c1)N1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000898121578 663634500 /nfs/dbraw/zinc/63/45/00/663634500.db2.gz RCHSHTHCJJLZMF-UHFFFAOYSA-N 1 0 385.277 2.555 20 0 GFADRO Cn1ncc2cc(C[NH2+][C@](C)(CO)c3cccc(Br)c3)cnc21 ZINC000898168748 663636886 /nfs/dbraw/zinc/63/68/86/663636886.db2.gz OUDHASOSPROMAI-QGZVFWFLSA-N 1 0 375.270 2.728 20 0 GFADRO C[C@](CO)([NH2+]Cc1ccc2c(c1)NC(=O)CO2)c1cccc(Br)c1 ZINC000898169035 663637009 /nfs/dbraw/zinc/63/70/09/663637009.db2.gz XYPVSGXUYFCTAO-GOSISDBHSA-N 1 0 391.265 2.777 20 0 GFADRO O=c1[nH]ncc(N2CC[C@@H]([NH2+]Cc3cnc([C@@H]4CCCO4)s3)C2)c1Cl ZINC000898364069 663644632 /nfs/dbraw/zinc/64/46/32/663644632.db2.gz HLIKSFWLBQDJCL-MFKMUULPSA-N 1 0 381.889 2.512 20 0 GFADRO O=c1[nH]ncc(N2CC[C@H]([NH2+]Cc3c(Cl)nc4ccccn43)C2)c1Cl ZINC000898365225 663644903 /nfs/dbraw/zinc/64/49/03/663644903.db2.gz XDNKHDIGRBCHQK-JTQLQIEISA-N 1 0 379.251 2.505 20 0 GFADRO CO[C@@H]1CCC[C@H]([NH2+][C@H](CO)c2ccccc2I)C1 ZINC000898511268 663653691 /nfs/dbraw/zinc/65/36/91/663653691.db2.gz BHZFMFAFIPTSDD-YWPYICTPSA-N 1 0 375.250 2.872 20 0 GFADRO CC(C)[NH2+]C1CCN(C(=O)C(=O)NCCc2ccc(Cl)c(Cl)c2)CC1 ZINC000898659929 663659156 /nfs/dbraw/zinc/65/91/56/663659156.db2.gz MXYCWGNDOPYYPS-UHFFFAOYSA-N 1 0 386.323 2.641 20 0 GFADRO COCOc1ccc(OC)cc1C[NH2+][C@@H]1CCc2ncc(Br)n2C1 ZINC000898723627 663661103 /nfs/dbraw/zinc/66/11/03/663661103.db2.gz HAJPTDLLCGYFIT-CYBMUJFWSA-N 1 0 396.285 2.742 20 0 GFADRO Brc1cnc2n1C[C@H]([NH2+]Cc1cc(-n3ccnc3)cs1)CC2 ZINC000898723749 663661117 /nfs/dbraw/zinc/66/11/17/663661117.db2.gz IPJHNHBYYNRJAR-LLVKDONJSA-N 1 0 378.299 2.997 20 0 GFADRO O=C(NCC[NH+]1CCC(O)CC1)NCc1ccccc1SC(F)(F)F ZINC000898972041 663670877 /nfs/dbraw/zinc/67/08/77/663670877.db2.gz FNWXZBUSLLJVRJ-UHFFFAOYSA-N 1 0 377.432 2.554 20 0 GFADRO C[C@@H](NC(=O)c1cc([C@@H]2CCCN2C)n[nH]1)c1ccncc1Br ZINC000899195690 663679351 /nfs/dbraw/zinc/67/93/51/663679351.db2.gz ZPHQWGCTARDWRA-BMIGLBTASA-N 1 0 378.274 2.825 20 0 GFADRO O=C(NCc1cc2cc(Br)ccc2o1)C1C[NH+](C2CCOCC2)C1 ZINC000899210352 663679936 /nfs/dbraw/zinc/67/99/36/663679936.db2.gz DYOLZGBOBNFOED-UHFFFAOYSA-N 1 0 393.281 2.922 20 0 GFADRO C[N@@H+]1C[C@@H]2CN([C@@H]3CC(=O)N(c4cccc(Cl)c4Cl)C3=O)C[C@]2(C)C1 ZINC000899255102 663681207 /nfs/dbraw/zinc/68/12/07/663681207.db2.gz RBNITCPRMVOYMA-OMPKRAJASA-N 1 0 382.291 2.509 20 0 GFADRO Cc1cccc(CN2C(=O)N[C@]3(CCCC[C@H]3C[NH3+])C2=O)c1Br ZINC000899633047 663696758 /nfs/dbraw/zinc/69/67/58/663696758.db2.gz LORNKGROHNBZED-GUYCJALGSA-N 1 0 380.286 2.697 20 0 GFADRO C[C@H](c1ccc(F)c(Br)c1)n1cc(CNC2CC[NH+](C)CC2)nn1 ZINC000899719148 663699243 /nfs/dbraw/zinc/69/92/43/663699243.db2.gz SBHOPVONJHLPFR-GFCCVEGCSA-N 1 0 396.308 2.973 20 0 GFADRO CC(C)[NH+]1CCN(CCCC(=O)N(C)Cc2ccc(Br)o2)CC1 ZINC000900188177 663709335 /nfs/dbraw/zinc/70/93/35/663709335.db2.gz RKBDXIAMZIHSJR-UHFFFAOYSA-N 1 0 386.334 2.807 20 0 GFADRO C[NH+](C)CCn1nccc1C(=O)N[C@@H]1CCc2cc(Br)ccc21 ZINC000900346578 663712889 /nfs/dbraw/zinc/71/28/89/663712889.db2.gz KJTNUACAZCFQON-OAHLLOKOSA-N 1 0 377.286 2.625 20 0 GFADRO C[NH+](C)CCn1ccc(NC(=O)Cc2c[nH]c3ccc(Br)cc23)n1 ZINC000900441839 663714554 /nfs/dbraw/zinc/71/45/54/663714554.db2.gz KYOPOQVXXGQIHQ-UHFFFAOYSA-N 1 0 390.285 2.870 20 0 GFADRO COc1ccc(NC(=O)CCN2CC[NH+](C(C)C)CC2)c(Br)c1 ZINC000900521102 663716314 /nfs/dbraw/zinc/71/63/14/663716314.db2.gz WJFXDZAAVKCLTB-UHFFFAOYSA-N 1 0 384.318 2.812 20 0 GFADRO CC[NH+]1CCN([C@@H](C)CNC(=O)c2c(C)ccc(F)c2Br)CC1 ZINC000900688143 663719794 /nfs/dbraw/zinc/71/97/94/663719794.db2.gz ZFCBWHSOOAWIFS-ZDUSSCGKSA-N 1 0 386.309 2.652 20 0 GFADRO CCc1noc([C@@H]2CC[C@@H]([NH2+][C@@H](C(N)=O)c3ccc(Br)cc3)C2)n1 ZINC000901617738 663739721 /nfs/dbraw/zinc/73/97/21/663739721.db2.gz CTFIVRZQRPTYJR-UXIGCNINSA-N 1 0 393.285 2.847 20 0 GFADRO COc1ccccc1NC(=O)[C@@H](C)[NH2+][C@H]1CCc2ncc(Br)n2C1 ZINC000901726762 663743541 /nfs/dbraw/zinc/74/35/41/663743541.db2.gz ARMSPZNMBSJBHW-NEPJUHHUSA-N 1 0 393.285 2.586 20 0 GFADRO C[C@H]([NH2+][C@H]1CCc2ncc(Br)n2C1)C(=O)Nc1cc(F)ccc1F ZINC000901727219 663743675 /nfs/dbraw/zinc/74/36/75/663743675.db2.gz DWHOMPXRXNEFNV-ONGXEEELSA-N 1 0 399.239 2.855 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)c1nnc(-c2cscn2)o1)c1ccc(Cl)cc1 ZINC000902643118 663765095 /nfs/dbraw/zinc/76/50/95/663765095.db2.gz OHINOAVHDAYBPH-CYBMUJFWSA-N 1 0 377.857 2.879 20 0 GFADRO C[C@@H]([NH2+]CC1(c2ccc(Br)cc2)CCOCC1)c1cn(C)nn1 ZINC000902787292 663767527 /nfs/dbraw/zinc/76/75/27/663767527.db2.gz ZIQYEUMBLDHXBM-CYBMUJFWSA-N 1 0 379.302 2.977 20 0 GFADRO CCS(=O)(=O)N1CCC(C[NH2+][C@H](C)c2ccc(C(F)(F)F)cn2)CC1 ZINC000902951273 663769971 /nfs/dbraw/zinc/76/99/71/663769971.db2.gz MHLBLNHPCJGAGS-GFCCVEGCSA-N 1 0 379.448 2.813 20 0 GFADRO C[C@H](CCS(C)(=O)=O)[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)CC(C)(C)C1 ZINC000903114236 663774382 /nfs/dbraw/zinc/77/43/82/663774382.db2.gz XCVXDLQPVJAZHF-CABCVRRESA-N 1 0 376.563 2.825 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CC[NH2+][C@@H]1CCO[C@@]12CCOC2 ZINC000903119472 663774589 /nfs/dbraw/zinc/77/45/89/663774589.db2.gz KVSRTQTWIZAVGV-NVXWUHKLSA-N 1 0 383.286 2.624 20 0 GFADRO CCOC1CC(O)(C[NH2+][C@H](C)c2cccc(S(=O)(=O)C(F)(F)F)c2)C1 ZINC000903158603 663776401 /nfs/dbraw/zinc/77/64/01/663776401.db2.gz CHOZRHQLISFLPK-NUYPLMSZSA-N 1 0 381.416 2.561 20 0 GFADRO COc1ccc(Cl)c2c1CCC[C@@H]2[NH2+]CCS(=O)(=O)C1CCOCC1 ZINC000903179199 663777204 /nfs/dbraw/zinc/77/72/04/663777204.db2.gz NYCQYKKCJCWXST-INIZCTEOSA-N 1 0 387.929 2.909 20 0 GFADRO O=S(=O)(c1c(F)cccc1OC(F)(F)F)N1CCC([NH+]2CCC2)CC1 ZINC000903203913 663778419 /nfs/dbraw/zinc/77/84/19/663778419.db2.gz HFGZPAHNYOEXOO-UHFFFAOYSA-N 1 0 382.379 2.583 20 0 GFADRO C[C@H]([NH2+]CCC[C@H]1CCOC1=O)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000903216604 663778774 /nfs/dbraw/zinc/77/87/74/663778774.db2.gz FBCCPAHKKLDWJK-RYUDHWBXSA-N 1 0 379.400 2.974 20 0 GFADRO C[C@H](CCNS(=O)(=O)c1ccccc1)[NH2+][C@@H](C)C1(Br)CC1 ZINC000903231565 663779942 /nfs/dbraw/zinc/77/99/42/663779942.db2.gz OFEYNWHXAUZISY-OLZOCXBDSA-N 1 0 375.332 2.649 20 0 GFADRO CC[C@@H]([NH2+]CC1(C2(O)CCC2)CC1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000903257388 663780639 /nfs/dbraw/zinc/78/06/39/663780639.db2.gz FVZNTEAHUOSNCD-OAHLLOKOSA-N 1 0 386.945 2.984 20 0 GFADRO Cc1cc(Br)ccc1C(=O)N1CCC([NH2+]C[C@@H]2CCN2C)CC1 ZINC000903319359 663781354 /nfs/dbraw/zinc/78/13/54/663781354.db2.gz YTQJTICMUJKJGM-INIZCTEOSA-N 1 0 380.330 2.656 20 0 GFADRO CO[C@]1(C[NH2+][C@H](C)c2ccc(Br)c(Cl)c2)CCS(=O)(=O)C1 ZINC000903363299 663782681 /nfs/dbraw/zinc/78/26/81/663782681.db2.gz NLRGHGOOHHFJRD-YGRLFVJLSA-N 1 0 396.734 2.957 20 0 GFADRO CO[C@]1(C[NH2+][C@@H](c2ccc(Br)cc2)C2CC2)CCS(=O)(=O)C1 ZINC000903367092 663783048 /nfs/dbraw/zinc/78/30/48/663783048.db2.gz XGKSTUVZEADHTR-CVEARBPZSA-N 1 0 388.327 2.694 20 0 GFADRO CO[C@]1(C[NH2+][C@H]2CCCc3ccc(Br)cc32)CCS(=O)(=O)C1 ZINC000903366719 663783050 /nfs/dbraw/zinc/78/30/50/663783050.db2.gz VMELRRPQBAEWAK-HOTGVXAUSA-N 1 0 388.327 2.620 20 0 GFADRO C[C@H]([NH2+]CCCn1ccc(=O)[nH]c1=O)c1cc(F)c(Br)cc1F ZINC000903428035 663784411 /nfs/dbraw/zinc/78/44/11/663784411.db2.gz BXRTWVVIVQJXDB-VIFPVBQESA-N 1 0 388.212 2.731 20 0 GFADRO O=c1ccn(CCC[NH2+][C@H]2CCCOc3cc(Br)ccc32)c(=O)[nH]1 ZINC000903433160 663784479 /nfs/dbraw/zinc/78/44/79/663784479.db2.gz VMRYYWSSJCVYRS-AWEZNQCLSA-N 1 0 394.269 2.605 20 0 GFADRO C[C@H]([NH2+][C@H]1CCN(c2cn[nH]c(=O)c2Cl)C1)c1ccc(Br)nc1 ZINC000903434255 663784634 /nfs/dbraw/zinc/78/46/34/663784634.db2.gz KWZBOEQCCITKKV-ONGXEEELSA-N 1 0 398.692 2.923 20 0 GFADRO COC(=O)c1csc([C@H](C)[NH2+][C@@H]2CCN(c3cn[nH]c(=O)c3Cl)C2)c1 ZINC000903434475 663784662 /nfs/dbraw/zinc/78/46/62/663784662.db2.gz MQOCMRZMFVNXAX-GXSJLCMTSA-N 1 0 382.873 2.613 20 0 GFADRO C[C@@H](C(=O)Nc1ccc(Br)cc1)N1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903517426 663786709 /nfs/dbraw/zinc/78/67/09/663786709.db2.gz AXZLTWQLMPBQPL-XXILOJSOSA-N 1 0 380.208 2.598 20 0 GFADRO C[C@@]1(C[NH3+])CCN(S(=O)(=O)Cc2cccc(Cl)c2Br)C1 ZINC000903518644 663786886 /nfs/dbraw/zinc/78/68/86/663786886.db2.gz NDRJVOIXHLQENF-ZDUSSCGKSA-N 1 0 381.723 2.603 20 0 GFADRO CC(C)(C[NH3+])C1CCN(S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)CC1 ZINC000903521231 663786967 /nfs/dbraw/zinc/78/69/67/663786967.db2.gz MMATWEKFDKEMEO-UHFFFAOYSA-N 1 0 386.386 2.768 20 0 GFADRO COc1cc(Cl)c(C)cc1NC(=O)CN1CC[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903535314 663787733 /nfs/dbraw/zinc/78/77/33/663787733.db2.gz XSZWYVHWUIUPCI-ZYHUDNBSSA-N 1 0 379.810 2.807 20 0 GFADRO [NH3+]CC1([C@H]2CCCCN2S(=O)(=O)c2c[nH]c3nccc(Cl)c23)CCC1 ZINC000903547526 663788177 /nfs/dbraw/zinc/78/81/77/663788177.db2.gz RUEJUNUBGDJHKV-CQSZACIVSA-N 1 0 382.917 2.889 20 0 GFADRO [NH3+][C@@H]1CN(S(=O)(=O)Cc2c(Cl)cccc2Cl)C[C@H]1C(F)(F)F ZINC000903570578 663789023 /nfs/dbraw/zinc/78/90/23/663789023.db2.gz RHDXDRNSIZUHIY-LDYMZIIASA-N 1 0 377.215 2.645 20 0 GFADRO [NH3+]C[C@H]1C[C@H](NS(=O)(=O)c2cc(Br)c(Cl)cc2Cl)C1 ZINC000903569779 663789067 /nfs/dbraw/zinc/78/90/67/663789067.db2.gz OWYDFNZGRKIRQV-LJGSYFOKSA-N 1 0 388.114 2.772 20 0 GFADRO Cc1csc(C)c1S(=O)(=O)N[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000903572124 663789332 /nfs/dbraw/zinc/78/93/32/663789332.db2.gz WDRSBVLDRIWYDZ-MAUKXSAKSA-N 1 0 378.519 2.899 20 0 GFADRO Cc1cc(S(=O)(=O)N[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c(C)s1 ZINC000903573518 663789442 /nfs/dbraw/zinc/78/94/42/663789442.db2.gz JRDFRBGZIHLABL-YJBOKZPZSA-N 1 0 378.519 2.899 20 0 GFADRO Cc1cc(S(=O)(=O)N[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)sc1C ZINC000903573425 663789492 /nfs/dbraw/zinc/78/94/92/663789492.db2.gz IJHHWABPJKXPLD-MAUKXSAKSA-N 1 0 378.519 2.899 20 0 GFADRO [NH3+][C@@H]1CN(S(=O)(=O)c2ccccc2C(F)(F)F)CC[C@H]1C(F)(F)F ZINC000903577005 663789776 /nfs/dbraw/zinc/78/97/76/663789776.db2.gz CHTJFGYIYDQPNW-PSASIEDQSA-N 1 0 376.322 2.606 20 0 GFADRO [NH3+][C@@H]1CN(S(=O)(=O)c2cc(Cl)sc2Cl)CC[C@H]1C(F)(F)F ZINC000903578343 663789924 /nfs/dbraw/zinc/78/99/24/663789924.db2.gz GJOTUJLZHIAIOC-PHDIDXHHSA-N 1 0 383.244 2.955 20 0 GFADRO [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(S(=O)(=O)c1cc(Cl)c(Br)cc1F)C2 ZINC000903579629 663790119 /nfs/dbraw/zinc/79/01/19/663790119.db2.gz OEQZACSBYQDYRZ-CIUDSAMLSA-N 1 0 397.697 2.742 20 0 GFADRO [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(S(=O)(=O)c1ccc(C(F)(F)C(F)(F)F)cc1)C2 ZINC000903580515 663790299 /nfs/dbraw/zinc/79/02/99/663790299.db2.gz ZGFSRFNYXOICJL-DLOVCJGASA-N 1 0 384.370 2.841 20 0 GFADRO O=S(=O)(c1cc(Br)sc1Cl)N1CCC[C@]12CC[NH2+]C2 ZINC000903592856 663791127 /nfs/dbraw/zinc/79/11/27/663791127.db2.gz HSYBJGBOENKTIX-LLVKDONJSA-N 1 0 385.736 2.681 20 0 GFADRO Brc1ccc2c(c1)CN(C[C@@H]1CC3(CO1)CC[NH2+]CC3)CCO2 ZINC000903758486 663805865 /nfs/dbraw/zinc/80/58/65/663805865.db2.gz LAJGTNPFLLKFTB-INIZCTEOSA-N 1 0 381.314 2.802 20 0 GFADRO Brc1cnc([C@@H]2CCCCN2C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)nc1 ZINC000903787409 663806761 /nfs/dbraw/zinc/80/67/61/663806761.db2.gz VWSBEAROSQUDEU-ZOBUZTSGSA-N 1 0 381.318 2.535 20 0 GFADRO FC(F)(F)c1nc(Br)c2n1CCN(C[C@H]1CCCC[NH2+]C1)C2 ZINC000903833912 663807930 /nfs/dbraw/zinc/80/79/30/663807930.db2.gz ZEKKBRIQOVPUIL-JTQLQIEISA-N 1 0 381.240 2.870 20 0 GFADRO FC1(F)CC[NH2+]C[C@@H]1CNCc1ncc(Br)cc1Br ZINC000903957884 663813660 /nfs/dbraw/zinc/81/36/60/663813660.db2.gz UDKYEHDZDQPENX-MRVPVSSYSA-N 1 0 399.077 2.941 20 0 GFADRO COc1cc(OC)c(NC(=O)N2CC[C@@H]3CC[C@]32C[NH3+])cc1Br ZINC000904428997 663833933 /nfs/dbraw/zinc/83/39/33/663833933.db2.gz UFQMKSKBOXAISG-QFYYESIMSA-N 1 0 384.274 2.811 20 0 GFADRO C[N@@H+]1C[C@@H]2CN(CN3CC(c4ccc(Br)cc4)=CC3=O)C[C@]2(C)C1 ZINC000904436296 663834306 /nfs/dbraw/zinc/83/43/06/663834306.db2.gz JFYMRXHNYFELBP-APWZRJJASA-N 1 0 390.325 2.516 20 0 GFADRO O=C(Nc1nc(CC(F)(F)F)cs1)N1CC[NH2+]CCC12CCOCC2 ZINC000904484674 663835969 /nfs/dbraw/zinc/83/59/69/663835969.db2.gz IHBDSYXPIZZLRT-UHFFFAOYSA-N 1 0 378.420 2.624 20 0 GFADRO COCCOc1ccc(NC(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)cc1Br ZINC000904548132 663837248 /nfs/dbraw/zinc/83/72/48/663837248.db2.gz JOEFWABKSOLRBY-VXGBXAGGSA-N 1 0 386.290 2.866 20 0 GFADRO COCCOc1ccc(NC(=O)N2CCC[C@@]23CC[NH2+]C3)cc1Br ZINC000904548086 663837283 /nfs/dbraw/zinc/83/72/83/663837283.db2.gz IPWLLUJIEMSRLJ-KRWDZBQOSA-N 1 0 398.301 2.834 20 0 GFADRO Cc1csc([C@](O)(CC(=O)N2CCC[C@@H](C)[C@@H]2CC[NH3+])C(F)(F)F)n1 ZINC000904927341 663847849 /nfs/dbraw/zinc/84/78/49/663847849.db2.gz CDHHVMADCNRTLH-IFUGULHKSA-N 1 0 379.448 2.567 20 0 GFADRO CON1CC[C@@H]([NH2+][C@@H](Cc2ccccn2)c2ccc(Br)cc2)C1=O ZINC000905004480 663849227 /nfs/dbraw/zinc/84/92/27/663849227.db2.gz MGZXIFBLYBZVID-SJORKVTESA-N 1 0 390.281 2.880 20 0 GFADRO O[C@@H](C[NH2+]CCSCc1ccc(Cl)cc1Cl)C1(O)CCOCC1 ZINC000905202032 663858058 /nfs/dbraw/zinc/85/80/58/663858058.db2.gz QRDOZVZXKRKHPY-HNNXBMFYSA-N 1 0 380.337 2.719 20 0 GFADRO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1cc(Br)cn(C2CC2)c1=O ZINC000905315263 663865584 /nfs/dbraw/zinc/86/55/84/663865584.db2.gz IXDFLCHJQYNKPE-ZDUSSCGKSA-N 1 0 396.329 2.940 20 0 GFADRO O[C@@H](C[NH2+]CCc1cc(Cl)cc(Br)c1)CC1(O)CCOCC1 ZINC000905417470 663870572 /nfs/dbraw/zinc/87/05/72/663870572.db2.gz HNZLPKXJQTYZAV-OAHLLOKOSA-N 1 0 392.721 2.527 20 0 GFADRO O[C@H](C[NH2+]Cc1ccc2ccc(Br)cc2c1)C1(O)CCOCC1 ZINC000905419250 663870864 /nfs/dbraw/zinc/87/08/64/663870864.db2.gz UHNBNWOISVIDLK-QGZVFWFLSA-N 1 0 380.282 2.594 20 0 GFADRO C[C@](O)(C[NH2+][C@H](CO)C[C@@H]1CCCO1)c1ccc(Br)cc1Cl ZINC000905460501 663872611 /nfs/dbraw/zinc/87/26/11/663872611.db2.gz LNODITUKKXCUGW-XEZPLFJOSA-N 1 0 392.721 2.830 20 0 GFADRO C[C@@](O)(C[NH2+][C@H]1CC[C@@H](O)[C@@H](O)CC1)c1ccc(Br)cc1Cl ZINC000905465700 663872826 /nfs/dbraw/zinc/87/28/26/663872826.db2.gz OESQLCGVKBZVMQ-MSQAHXEGSA-N 1 0 392.721 2.564 20 0 GFADRO Cn1cc(C[NH2+]C[C@H](O)c2ccc(Br)cc2)c(Br)n1 ZINC000905518504 663875713 /nfs/dbraw/zinc/87/57/13/663875713.db2.gz YIAXYTKIFBNRAB-LBPRGKRZSA-N 1 0 389.091 2.768 20 0 GFADRO CN(C)Cc1csc(C[NH2+]C[C@@H](O)c2ccc(F)c(Br)c2)n1 ZINC000905534013 663877130 /nfs/dbraw/zinc/87/71/30/663877130.db2.gz USVFNXBXNCHTPT-CQSZACIVSA-N 1 0 388.306 2.930 20 0 GFADRO O[C@@H](C[NH2+]CC1(C2(O)CCOCC2)CC1)COc1c(Cl)cccc1Cl ZINC000905550161 663878062 /nfs/dbraw/zinc/87/80/62/663878062.db2.gz FCFZMCGPZWIJNX-ZDUSSCGKSA-N 1 0 390.307 2.644 20 0 GFADRO Cn1cc([C@@]2(C[NH2+]C[C@H](O)c3ccc(Br)cc3)CCCO2)cn1 ZINC000905688646 663886385 /nfs/dbraw/zinc/88/63/85/663886385.db2.gz XTPSWUAZHSBLOM-IRXDYDNUSA-N 1 0 380.286 2.512 20 0 GFADRO COC(=O)[C@H](Cc1ccc(Cl)cc1)NCC1CCC(S(C)(=O)=O)CC1 ZINC000905848128 663896280 /nfs/dbraw/zinc/89/62/80/663896280.db2.gz HXTRCECFLXXNOP-PREGVCBESA-N 1 0 387.929 2.617 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCCN2CCSC[C@@H]12)C(=O)Nc1ccccc1Br ZINC000905851966 663896870 /nfs/dbraw/zinc/89/68/70/663896870.db2.gz AYQUYDHIUBNWTQ-MAZHCROVSA-N 1 0 398.370 2.946 20 0 GFADRO [NH3+]C1(CNC(=O)C(=O)Nc2cc(Cl)ccc2SCC(F)(F)F)CC1 ZINC000906696807 663965568 /nfs/dbraw/zinc/96/55/68/663965568.db2.gz IIOFBRUIGFQLNQ-UHFFFAOYSA-N 1 0 381.807 2.540 20 0 GFADRO CC(C)c1cc(Br)ccc1NC(=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000906718309 663966883 /nfs/dbraw/zinc/96/68/83/663966883.db2.gz UTXKUGDLHNJVOE-NILFDRSVSA-N 1 0 380.286 2.520 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)c2ccc(Cn3cc(Br)cn3)s2)CC[N@@H+]1C ZINC000906796542 663971777 /nfs/dbraw/zinc/97/17/77/663971777.db2.gz AAEXNJOSPIXXFJ-DGCLKSJQSA-N 1 0 397.342 2.968 20 0 GFADRO CC[NH+](CC)C[C@@H]1CCN(C(=O)c2cc(Br)cn(C3CC3)c2=O)C1 ZINC000906839861 663975522 /nfs/dbraw/zinc/97/55/22/663975522.db2.gz FHGZAFOUPIDEAH-ZDUSSCGKSA-N 1 0 396.329 2.750 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2S(=O)(=O)c1cc2ccccc2s1 ZINC000907065824 663998946 /nfs/dbraw/zinc/99/89/46/663998946.db2.gz MISCLIZDOWRUDW-OWCLPIDISA-N 1 0 380.535 2.774 20 0 GFADRO CS[C@H]1CN(C(=O)c2ccc(Cn3cc(Cl)cn3)s2)C[C@H]1[NH+](C)C ZINC000907147037 664006648 /nfs/dbraw/zinc/00/66/48/664006648.db2.gz RMSSUSYMCQVFNY-HIFRSBDPSA-N 1 0 384.958 2.764 20 0 GFADRO Cc1ccc(C[N@H+]2CC[C@H](CN(C)S(=O)(=O)N3CCC(C)CC3)C2)s1 ZINC000907347910 664026981 /nfs/dbraw/zinc/02/69/81/664026981.db2.gz WUQUGEMTATWJGT-QGZVFWFLSA-N 1 0 385.599 2.787 20 0 GFADRO Cc1ccc(C[N@H+]2CC[C@H](CN(C)S(=O)(=O)C[C@@H]3CCCCO3)C2)s1 ZINC000907347947 664027197 /nfs/dbraw/zinc/02/71/97/664027197.db2.gz YCWAFARIWZUOIS-SJORKVTESA-N 1 0 386.583 2.709 20 0 GFADRO Cc1cc(Br)c(CC(=O)N[C@H](C)CC[NH+]2CCN(C)CC2)s1 ZINC000907458112 664036232 /nfs/dbraw/zinc/03/62/32/664036232.db2.gz XMDYNYNDHXNUHS-GFCCVEGCSA-N 1 0 388.375 2.504 20 0 GFADRO C[NH+](C)[C@@H]1CCCN(C(=O)C(F)(F)c2ncccc2Br)CC1 ZINC000907745299 664058042 /nfs/dbraw/zinc/05/80/42/664058042.db2.gz YBIROOJKFYFZJS-LLVKDONJSA-N 1 0 376.245 2.879 20 0 GFADRO CC1(C)CCC[N@H+](CCNC(=O)c2nscc2I)C1 ZINC000907777655 664061532 /nfs/dbraw/zinc/06/15/32/664061532.db2.gz GQROGEZYCNPPBH-UHFFFAOYSA-N 1 0 393.294 2.600 20 0 GFADRO C[N@@H+]1CCC[C@](O)(CC(=O)N[C@@H]2CSc3ccc(Br)cc32)C1 ZINC000907818796 664063531 /nfs/dbraw/zinc/06/35/31/664063531.db2.gz STERKLHYYDKIIQ-CJNGLKHVSA-N 1 0 385.327 2.559 20 0 GFADRO Cc1csc([C@@H](NC(=O)CCN2CC[NH+](C(C)C)CC2)C(F)(F)F)n1 ZINC000908515291 664111797 /nfs/dbraw/zinc/11/17/97/664111797.db2.gz XGDJJGNPIFJJNA-CQSZACIVSA-N 1 0 378.464 2.587 20 0 GFADRO CC(C)[NH2+]C1(CO)CCN(C(=O)[C@H](C)Cc2ccc(Br)cc2)CC1 ZINC000908603670 664117032 /nfs/dbraw/zinc/11/70/32/664117032.db2.gz VVXUDOSGRNVWFO-OAHLLOKOSA-N 1 0 397.357 2.979 20 0 GFADRO C[N@@H+]1CCC[C@@](O)(CC(=O)N[C@@H]2CCc3c2ccc(F)c3Br)C1 ZINC000909047449 664142656 /nfs/dbraw/zinc/14/26/56/664142656.db2.gz GWSVOGLDCPYXLL-RHSMWYFYSA-N 1 0 385.277 2.539 20 0 GFADRO CCS(=O)(=O)c1cc(Cl)cc(CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)c1 ZINC000910408675 664209882 /nfs/dbraw/zinc/20/98/82/664209882.db2.gz TXSCEPCRLLUDOV-RDJZCZTQSA-N 1 0 384.929 2.767 20 0 GFADRO COc1cc(OCC[NH+](C)C)ccc1NC(=O)C[C@H](O)C(Cl)(Cl)Cl ZINC000910424637 664210556 /nfs/dbraw/zinc/21/05/56/664210556.db2.gz LVGAUVWATVQAJS-ZDUSSCGKSA-N 1 0 399.702 2.695 20 0 GFADRO C[C@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)C(=O)NCC[C@@H]1C[NH2+]C[C@H]1C ZINC000911394590 664244453 /nfs/dbraw/zinc/24/44/53/664244453.db2.gz CBUDGCIDMUHLQL-YRGRVCCFSA-N 1 0 386.323 2.875 20 0 GFADRO CC(C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)NC[C@@H]1CC[C@H]([NH3+])C1 ZINC000911492151 664246866 /nfs/dbraw/zinc/24/68/66/664246866.db2.gz AQZPSBHQASYKAU-OCCSQVGLSA-N 1 0 386.323 2.974 20 0 GFADRO C[NH2+]C[C@H]1CCCN(C(=O)[C@@H](C)c2ccc(I)cc2)C1 ZINC000911633973 664251038 /nfs/dbraw/zinc/25/10/38/664251038.db2.gz KSIRJWRYZBVPRU-QWHCGFSZSA-N 1 0 386.277 2.853 20 0 GFADRO Cc1c(Br)cc(C(=O)N2CCCc3cc(C[NH3+])ccc32)c(=O)n1C ZINC000911791013 664256659 /nfs/dbraw/zinc/25/66/59/664256659.db2.gz YBBXHIVKPNFOKE-UHFFFAOYSA-N 1 0 390.281 2.508 20 0 GFADRO Cc1c(C(=O)N2CCC[C@@H]([C@H](C)[NH3+])C2)nnn1-c1ccccc1Br ZINC000911821413 664257272 /nfs/dbraw/zinc/25/72/72/664257272.db2.gz IOICOJOUMWECFC-WCQYABFASA-N 1 0 392.301 2.538 20 0 GFADRO C[NH+]1CCC(N(CCO)C(=O)CCCOc2ccccc2Br)CC1 ZINC000911934281 664262498 /nfs/dbraw/zinc/26/24/98/664262498.db2.gz BZLGFHOQGYYODV-UHFFFAOYSA-N 1 0 399.329 2.523 20 0 GFADRO Cc1cc(NC(=O)C2(c3ccc(Br)cc3)CC[NH2+]CC2)n(C)n1 ZINC000911993851 664265348 /nfs/dbraw/zinc/26/53/48/664265348.db2.gz VVEPYPOEMGYDCI-UHFFFAOYSA-N 1 0 377.286 2.751 20 0 GFADRO O=C(Nc1ccc(Br)c(CO)c1)C1CCC([NH+]2CCOCC2)CC1 ZINC000912167751 664272995 /nfs/dbraw/zinc/27/29/95/664272995.db2.gz UAICVQOWYYDGPP-UHFFFAOYSA-N 1 0 397.313 2.771 20 0 GFADRO CC[C@@H]1CN(C(=O)C2(c3ccc(Br)cc3)CC[NH2+]CC2)CCO1 ZINC000912220431 664276498 /nfs/dbraw/zinc/27/64/98/664276498.db2.gz GALGFNYFGVAQON-MRXNPFEDSA-N 1 0 381.314 2.708 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)c2cc(Br)cn(C3CC3)c2=O)C1 ZINC000912297483 664280942 /nfs/dbraw/zinc/28/09/42/664280942.db2.gz RXFZDEGZMQVQMW-GFCCVEGCSA-N 1 0 382.302 2.548 20 0 GFADRO CCN(CC)C(=O)c1ccc(NC(=O)Cc2csc(C[NH3+])n2)cc1Cl ZINC000912313057 664282013 /nfs/dbraw/zinc/28/20/13/664282013.db2.gz WPYPNYAKZDRVFF-UHFFFAOYSA-N 1 0 380.901 2.918 20 0 GFADRO O=C(c1cccc(Cl)c1Cl)N1CCN(C(=O)C2=CCC[NH2+]CC2)CC1 ZINC000912380381 664284326 /nfs/dbraw/zinc/28/43/26/664284326.db2.gz GFSKTXNWDLITSZ-UHFFFAOYSA-N 1 0 382.291 2.588 20 0 GFADRO O=C(Nc1ccc(Br)c2ncccc12)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000912513193 664291481 /nfs/dbraw/zinc/29/14/81/664291481.db2.gz OQZSPVRQLPPRRD-GFCCVEGCSA-N 1 0 376.254 2.657 20 0 GFADRO Cc1csc(SCc2ccc(C(=O)N(C)CC[N@H+](C)CCO)cc2)n1 ZINC000912610766 664294671 /nfs/dbraw/zinc/29/46/71/664294671.db2.gz LPHWJERCHAJLPD-UHFFFAOYSA-N 1 0 379.551 2.740 20 0 GFADRO O=C(C1=Cc2cc(Br)ccc2OC1)N1CCC([NH+]2CCC2)CC1 ZINC000912882615 664307294 /nfs/dbraw/zinc/30/72/94/664307294.db2.gz NXROYVQINADHDO-UHFFFAOYSA-N 1 0 377.282 2.922 20 0 GFADRO O=C(c1ccc(-n2cc(Br)cn2)cc1)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000912921202 664310295 /nfs/dbraw/zinc/31/02/95/664310295.db2.gz BZALZJKHCWPMRC-MRXNPFEDSA-N 1 0 375.270 2.555 20 0 GFADRO C[NH+](C)C1(C)CCN(C(=O)c2ccc(I)c(F)c2)CC1 ZINC000913397531 664334911 /nfs/dbraw/zinc/33/49/11/664334911.db2.gz LRCDMAZSXSXADS-UHFFFAOYSA-N 1 0 390.240 2.987 20 0 GFADRO C[NH+]1C[C@@]2(C)CN(C(=O)c3cc(Br)cc4nc[nH]c43)C[C@]2(C)C1 ZINC000913278752 664331099 /nfs/dbraw/zinc/33/10/99/664331099.db2.gz KNKUXXVLRGTAQR-IRXDYDNUSA-N 1 0 377.286 2.739 20 0 GFADRO COc1cc(Br)c(C(=O)N2C[C@@]3(C)C[NH+](C)C[C@]3(C)C2)cc1OC ZINC000913276838 664331107 /nfs/dbraw/zinc/33/11/07/664331107.db2.gz MZIDRXPKVMNRLD-QZTJIDSGSA-N 1 0 397.313 2.880 20 0 GFADRO C[NH+](C)C1(C)CCN(C(=O)c2cccc(S(=O)(=O)C(F)(F)F)c2)CC1 ZINC000913391569 664334697 /nfs/dbraw/zinc/33/46/97/664334697.db2.gz RLDOPDZPHOKJLE-UHFFFAOYSA-N 1 0 378.416 2.536 20 0 GFADRO C[NH+](C)C1(C)CCN(C(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CC2)CC1 ZINC000913399806 664335013 /nfs/dbraw/zinc/33/50/13/664335013.db2.gz JOWZGXZMOTURNL-UHFFFAOYSA-N 1 0 384.929 2.589 20 0 GFADRO Cc1nc(SCC(C)C)sc1CC(=O)N1CCC(O)(C[NH+](C)C)CC1 ZINC000913675601 664348956 /nfs/dbraw/zinc/34/89/56/664348956.db2.gz AHUYFHQJLANIAW-UHFFFAOYSA-N 1 0 385.599 2.657 20 0 GFADRO C[N@@H+]1CCN(C(=O)C(F)(F)c2ncccc2Br)CCC1(C)C ZINC000913721629 664353373 /nfs/dbraw/zinc/35/33/73/664353373.db2.gz AOTGKFMHAGGANK-UHFFFAOYSA-N 1 0 376.245 2.879 20 0 GFADRO C[C@@H](CNC(=O)N(C)Cc1ncc(Br)cn1)[N@@H+]1CCCC[C@H]1C ZINC000914072877 664374337 /nfs/dbraw/zinc/37/43/37/664374337.db2.gz ZWTKNHFDGIUPKO-OLZOCXBDSA-N 1 0 384.322 2.643 20 0 GFADRO Cn1nc(C(F)(F)F)cc1CNC(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000914074177 664374669 /nfs/dbraw/zinc/37/46/69/664374669.db2.gz ZHQQQRRXJGYKJA-LBPRGKRZSA-N 1 0 375.420 2.603 20 0 GFADRO O=C(OCC[NH+]1CCCCC1)[C@@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000914083929 664375544 /nfs/dbraw/zinc/37/55/44/664375544.db2.gz GLEZDHMBDKZWQZ-CQSZACIVSA-N 1 0 395.297 2.831 20 0 GFADRO C[NH+](C)C[C@H]1CCN(S(=O)(=O)Cc2cccc(Cl)c2Br)C1 ZINC000914112111 664377440 /nfs/dbraw/zinc/37/74/40/664377440.db2.gz ZUEDWRQNOSLJRP-LLVKDONJSA-N 1 0 395.750 2.816 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)NC1(c2ncc(Br)cn2)CCC1 ZINC000914219856 664387179 /nfs/dbraw/zinc/38/71/79/664387179.db2.gz CRXHBZQRFMEVQH-KGLIPLIRSA-N 1 0 394.317 2.544 20 0 GFADRO C[NH+](C)CC1CCN(S(=O)(=O)Cc2cccc(F)c2Br)CC1 ZINC000914311504 664397875 /nfs/dbraw/zinc/39/78/75/664397875.db2.gz YMHBSLXQZYQDRA-UHFFFAOYSA-N 1 0 393.322 2.692 20 0 GFADRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)NCc2cnc(Br)cn2)C1 ZINC000914330957 664400300 /nfs/dbraw/zinc/40/03/00/664400300.db2.gz GWAUZCBKDGLKSA-BETUJISGSA-N 1 0 398.349 2.795 20 0 GFADRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)N(C)Cc1ncc(Br)cn1 ZINC000914356621 664402769 /nfs/dbraw/zinc/40/27/69/664402769.db2.gz LQJKZNOYXPCKQS-MCIONIFRSA-N 1 0 398.349 2.747 20 0 GFADRO C[NH+](C)CCN1CCC(NC(=S)Nc2cccc(Br)c2)CC1 ZINC000915122460 664421575 /nfs/dbraw/zinc/42/15/75/664421575.db2.gz HIARVMXDKICTHT-UHFFFAOYSA-N 1 0 385.375 2.762 20 0 GFADRO CC[NH+]1CCN(CCCNC(=O)/C=C\c2ccc(C)cc2Br)CC1 ZINC000915266662 664425795 /nfs/dbraw/zinc/42/57/95/664425795.db2.gz FNVXFIKXUSWCQK-FPLPWBNLSA-N 1 0 394.357 2.915 20 0 GFADRO O=C(NC1CC[NH+](C[C@H]2CCCO2)CC1)c1cc(F)cc(Br)c1 ZINC000915622948 664435896 /nfs/dbraw/zinc/43/58/96/664435896.db2.gz UIEKPHHZFDSGOP-MRXNPFEDSA-N 1 0 385.277 2.961 20 0 GFADRO CC(C)[C@@H](C[NH+](C)C)NC(=O)/C=C/c1ccc(I)o1 ZINC000915623503 664436028 /nfs/dbraw/zinc/43/60/28/664436028.db2.gz HAJHZDHZDVJFQD-WAFBPQNNSA-N 1 0 376.238 2.600 20 0 GFADRO O=C(Nc1cc2c(cc1Br)OCCO2)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000915679897 664437303 /nfs/dbraw/zinc/43/73/03/664437303.db2.gz MVSUAIBJYARTLR-VXGBXAGGSA-N 1 0 396.285 2.969 20 0 GFADRO C[N@@H+]1CCC[C@]2(CCN(S(=O)(=O)Cc3ccsc3Br)C2)C1 ZINC000915892125 664443466 /nfs/dbraw/zinc/44/34/66/664443466.db2.gz BTCQVPRPKCQPKB-AWEZNQCLSA-N 1 0 393.372 2.758 20 0 GFADRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N(C)Cc2ncc(Br)cn2)C1 ZINC000916874573 664473813 /nfs/dbraw/zinc/47/38/13/664473813.db2.gz YKCMYRDHWNSKCR-ZDUSSCGKSA-N 1 0 384.322 2.501 20 0 GFADRO O=C(OCC[NH+]1CCCCC1)[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000917538160 664485808 /nfs/dbraw/zinc/48/58/08/664485808.db2.gz KJHHYRYBUIRLCN-MRXNPFEDSA-N 1 0 395.297 2.831 20 0 GFADRO C[C@H](CNS(=O)(=O)N(C)Cc1c(F)cccc1Cl)[NH+]1CCCCC1 ZINC000917660394 664488256 /nfs/dbraw/zinc/48/82/56/664488256.db2.gz ABUQOWUBWNLYKZ-CYBMUJFWSA-N 1 0 377.913 2.620 20 0 GFADRO CCC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCc3[nH+]ccc(N)c3C2)c1 ZINC000918900344 664506335 /nfs/dbraw/zinc/50/63/35/664506335.db2.gz RDWVEVIUWGUJLJ-UHFFFAOYSA-N 1 0 379.869 2.657 20 0 GFADRO CCCC[N@H+](CCO)C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000920086294 664521943 /nfs/dbraw/zinc/52/19/43/664521943.db2.gz PZPFFRVAIRJEHY-CYBMUJFWSA-N 1 0 380.710 2.937 20 0 GFADRO COC(=O)N1CCC([NH2+]C[C@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000920093266 664522128 /nfs/dbraw/zinc/52/21/28/664522128.db2.gz RJGJKGOMWIDCHB-LBPRGKRZSA-N 1 0 377.268 2.554 20 0 GFADRO CO[C@]1(CNC(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)CCSC1 ZINC000920283317 664524292 /nfs/dbraw/zinc/52/42/92/664524292.db2.gz ZBQGZWMWORMCKD-ZVZYQTTQSA-N 1 0 383.583 2.952 20 0 GFADRO CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NS(=O)(=O)c3cc(C)c(C)s3)C2)[C@H]1C(C)C ZINC000920302475 664524663 /nfs/dbraw/zinc/52/46/63/664524663.db2.gz IYHCHQOWEQZLDC-JOCBIADPSA-N 1 0 386.583 2.513 20 0 GFADRO C[NH+](C)Cc1ccc(S(=O)(=O)N2CCC[C@@H](Cc3nccs3)C2)cc1 ZINC000921374050 664544922 /nfs/dbraw/zinc/54/49/22/664544922.db2.gz YNANXFBDXCAVRO-INIZCTEOSA-N 1 0 379.551 2.848 20 0 GFADRO C[NH+](C)CC[C@@H](NS(=O)(=O)c1cccc(Br)c1)c1cccnc1 ZINC000921479031 664549870 /nfs/dbraw/zinc/54/98/70/664549870.db2.gz ZTDUSCIOZDUGQS-MRXNPFEDSA-N 1 0 398.326 2.815 20 0 GFADRO CC1([NH+]2CCC2)CCC(NS(=O)(=O)c2ccc(C(F)(F)F)nc2)CC1 ZINC000921722636 664564325 /nfs/dbraw/zinc/56/43/25/664564325.db2.gz VUWIVXCCFQCILA-UHFFFAOYSA-N 1 0 377.432 2.786 20 0 GFADRO Cc1c(Cl)ccc(C[NH2+]C2CCN(CCS(C)(=O)=O)CC2)c1Cl ZINC000921720885 664564341 /nfs/dbraw/zinc/56/43/41/664564341.db2.gz BFJJNTAYTHVYKY-UHFFFAOYSA-N 1 0 379.353 2.900 20 0 GFADRO CN(Cc1ncc(Br)cn1)C(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000921967556 664579420 /nfs/dbraw/zinc/57/94/20/664579420.db2.gz USFYJTVGFHXHMO-UHFFFAOYSA-N 1 0 384.322 2.503 20 0 GFADRO Cc1cc(C[NH2+]Cc2c3c(nn2C)CCOC3)ccc1I ZINC000922094837 664585633 /nfs/dbraw/zinc/58/56/33/664585633.db2.gz RSSLLMVJXXNOOY-UHFFFAOYSA-N 1 0 397.260 2.696 20 0 GFADRO CCn1c(C[NH2+]CCC2(CO)CC2)nc(Br)c1Br ZINC000922163957 664588458 /nfs/dbraw/zinc/58/84/58/664588458.db2.gz VHTOSEKDFDJEDF-UHFFFAOYSA-N 1 0 381.112 2.680 20 0 GFADRO Cn1nc2c(c1CNc1cc(N3CCOCC3)c(Br)c[nH+]1)CCC2 ZINC000922172040 664588687 /nfs/dbraw/zinc/58/86/87/664588687.db2.gz VYIGZSKASIPYSD-UHFFFAOYSA-N 1 0 392.301 2.515 20 0 GFADRO CCO[C@H](CNC(=O)N[C@H](c1cncc(Br)c1)C1CC1)C[NH+](C)C ZINC000922393638 664599155 /nfs/dbraw/zinc/59/91/55/664599155.db2.gz QZMICYLFSZBWSM-CVEARBPZSA-N 1 0 399.333 2.561 20 0 GFADRO O=c1[nH]c(=O)n(CC(F)(F)F)cc1C[NH2+]Cc1ccc(Br)cc1 ZINC000922496902 664604121 /nfs/dbraw/zinc/60/41/21/664604121.db2.gz KNDADQNEIMEJTQ-UHFFFAOYSA-N 1 0 392.175 2.564 20 0 GFADRO CC(C)[N@@H+](C)C[C@H](C)NC(=O)N1CCC[C@H]1c1ncc(Br)cn1 ZINC000922517003 664605422 /nfs/dbraw/zinc/60/54/22/664605422.db2.gz FQUOGLUXVFUAPP-JSGCOSHPSA-N 1 0 384.322 2.814 20 0 GFADRO CO[C@@]1(C[NH2+]Cc2cc(Cl)ccc2OC2CCCC2)CCS(=O)(=O)C1 ZINC000922614531 664608489 /nfs/dbraw/zinc/60/84/89/664608489.db2.gz FDFWBSBOGFVOHX-GOSISDBHSA-N 1 0 387.929 2.955 20 0 GFADRO COc1c(Br)cccc1C[NH2+]CC1(O)CCC2(CC1)OCCO2 ZINC000922623637 664608921 /nfs/dbraw/zinc/60/89/21/664608921.db2.gz JYRMPSDWBZKJSQ-UHFFFAOYSA-N 1 0 386.286 2.596 20 0 GFADRO CS(=O)(=O)c1ccccc1CC[NH2+]Cc1cc(O)ccc1Br ZINC000922680129 664610647 /nfs/dbraw/zinc/61/06/47/664610647.db2.gz QCADGUMDCODJRU-UHFFFAOYSA-N 1 0 384.295 2.891 20 0 GFADRO CN(C)C(=O)c1ccccc1C[NH2+]CC1(n2cc(Br)cn2)CC1 ZINC000922802105 664614841 /nfs/dbraw/zinc/61/48/41/664614841.db2.gz LUQISRZTIMGGPX-UHFFFAOYSA-N 1 0 377.286 2.626 20 0 GFADRO CS(=O)(=O)C[C@@H](O)C[NH2+]Cc1ccccc1Oc1ccc(F)cc1Cl ZINC000922821365 664615534 /nfs/dbraw/zinc/61/55/34/664615534.db2.gz AAKYEBQUNGETON-AWEZNQCLSA-N 1 0 387.860 2.767 20 0 GFADRO C[N@@H+]1CCC[C@@H](CCNC(=O)N2CCC[C@H]2c2ncc(Br)cn2)C1 ZINC000922854422 664616631 /nfs/dbraw/zinc/61/66/31/664616631.db2.gz XYBROLIYVKKTBY-ZFWWWQNUSA-N 1 0 396.333 2.818 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+]CC[C@H]2OCCc3ccccc32)cc1Cl ZINC000922958937 664620096 /nfs/dbraw/zinc/62/00/96/664620096.db2.gz VQHMFXYIFLVMCZ-QGZVFWFLSA-N 1 0 380.897 2.781 20 0 GFADRO Cn1cc(C[NH2+]C[C@@]2(c3ccccc3)CCCO2)c(I)n1 ZINC000922965453 664620115 /nfs/dbraw/zinc/62/01/15/664620115.db2.gz XQIPPXOJISISFN-MRXNPFEDSA-N 1 0 397.260 2.820 20 0 GFADRO CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)NCCC[C@H]1CC1(Cl)Cl)C2 ZINC000923096256 664622249 /nfs/dbraw/zinc/62/22/49/664622249.db2.gz ZZTAUZDQGXFBNI-CLBVLKOUSA-N 1 0 392.371 2.739 20 0 GFADRO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)c1ccn(-c2ccc(Br)cc2)n1 ZINC000923265847 664626927 /nfs/dbraw/zinc/62/69/27/664626927.db2.gz CSTMIXIMPWOJLH-JKSUJKDBSA-N 1 0 389.297 2.944 20 0 GFADRO Cc1ccc(Cl)c(OC[C@H](O)CN2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)c1 ZINC000923400294 664629873 /nfs/dbraw/zinc/62/98/73/664629873.db2.gz ABMNAGIVSRSEPO-MGPQQGTHSA-N 1 0 380.838 2.847 20 0 GFADRO OCC[NH2+][C@@H]1CCCN(Cc2ncc(-c3cccc(Br)c3)o2)C1 ZINC000923406086 664630042 /nfs/dbraw/zinc/63/00/42/664630042.db2.gz JXVMLBKMSXGPRN-OAHLLOKOSA-N 1 0 380.286 2.650 20 0 GFADRO O[C@H](COc1ccc(Cl)cc1Br)CN1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000923417558 664630166 /nfs/dbraw/zinc/63/01/66/664630166.db2.gz ZIFRIQBKOWWTES-NWANDNLSSA-N 1 0 389.721 2.669 20 0 GFADRO Cc1nc(-c2cc3c(s2)CCN(S(=O)(=O)[C@@H]2CCC[NH2+]C2)C3)cs1 ZINC000923633291 664634931 /nfs/dbraw/zinc/63/49/31/664634931.db2.gz STUWOODSIPXNSZ-CYBMUJFWSA-N 1 0 383.564 2.620 20 0 GFADRO O=S(=O)(c1cnc(-c2ccccc2)s1)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000923647068 664635010 /nfs/dbraw/zinc/63/50/10/664635010.db2.gz SYGZENVYYSVRQX-HOTGVXAUSA-N 1 0 377.535 2.820 20 0 GFADRO CC(C)Oc1ccc(F)cc1S(=O)(=O)N1CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000923678524 664635434 /nfs/dbraw/zinc/63/54/34/664635434.db2.gz YXCJUAYGVCGMGG-NEPJUHHUSA-N 1 0 384.395 2.513 20 0 GFADRO [NH3+]CC[C@H]1CCN(S(=O)(=O)c2cc(Cl)c(Br)cc2F)C1 ZINC000923696320 664636191 /nfs/dbraw/zinc/63/61/91/664636191.db2.gz ACXJDRGINQDAJZ-QMMMGPOBSA-N 1 0 385.686 2.601 20 0 GFADRO C[C@H]1CN(S(=O)(=O)c2c(Cl)cccc2Br)CC[C@H]1C[NH3+] ZINC000923703487 664636421 /nfs/dbraw/zinc/63/64/21/664636421.db2.gz PVVCBWMMIRYKGD-UWVGGRQHSA-N 1 0 381.723 2.708 20 0 GFADRO C[C@H]([NH2+]C[C@H](c1ccccc1Cl)N(C)C)C1CCN(S(C)(=O)=O)CC1 ZINC000924551411 664657204 /nfs/dbraw/zinc/65/72/04/664657204.db2.gz LGEUTVUBRVVXQH-KBXCAEBGSA-N 1 0 387.977 2.592 20 0 GFADRO CC(C)NS(=O)(=O)Cc1ccccc1C[NH2+][C@@H](C)C1(Br)CC1 ZINC000924962513 664664420 /nfs/dbraw/zinc/66/44/20/664664420.db2.gz YOAAPNAJKBOJDQ-ZDUSSCGKSA-N 1 0 389.359 2.920 20 0 GFADRO COc1ccc(Br)c(C(=O)NCCC[NH2+][C@H](C)c2ccnnc2)c1 ZINC000925015687 664665191 /nfs/dbraw/zinc/66/51/91/664665191.db2.gz LMZQTDXSURTPEO-GFCCVEGCSA-N 1 0 393.285 2.718 20 0 GFADRO CSC[C@@H]1NC(=O)N([C@@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)C1=O ZINC000925022267 664665503 /nfs/dbraw/zinc/66/55/03/664665503.db2.gz FJVHGVIGNQQCEY-STQMWFEESA-N 1 0 376.309 2.880 20 0 GFADRO C[C@H]([NH2+]CC1CCN(S(=O)(=O)C(F)(F)F)CC1)c1cc(O)cc(F)c1 ZINC000925036189 664665825 /nfs/dbraw/zinc/66/58/25/664665825.db2.gz AZGMUMXUFKFJMG-JTQLQIEISA-N 1 0 384.395 2.744 20 0 GFADRO O=C(N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12)N1CCSC[C@H]1c1nccs1 ZINC000925154814 664667489 /nfs/dbraw/zinc/66/74/89/664667489.db2.gz CFZXSGHGQOPDDB-RDBSUJKOSA-N 1 0 384.596 2.522 20 0 GFADRO O=C(N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12)N1CCSC[C@@H]1c1nccs1 ZINC000925154811 664667508 /nfs/dbraw/zinc/66/75/08/664667508.db2.gz CFZXSGHGQOPDDB-HZSPNIEDSA-N 1 0 384.596 2.522 20 0 GFADRO CC[N@@H+]1CCC[C@H](N2C(=O)[C@H]3Cc4c(Br)cccc4CN3C2=O)C1 ZINC000925301232 664670142 /nfs/dbraw/zinc/67/01/42/664670142.db2.gz ZYIYPHGICFPIAG-XJKSGUPXSA-N 1 0 392.297 2.622 20 0 GFADRO C[C@H]([NH2+][C@H]1CCC[C@H](S(C)(=O)=O)C1)c1nc(Br)ccc1F ZINC000925456763 664672399 /nfs/dbraw/zinc/67/23/99/664672399.db2.gz NMDDRVVLTOMFSI-DCAQKATOSA-N 1 0 379.295 2.990 20 0 GFADRO CS(=O)(=O)N1CC[C@@H](C[NH2+][C@@H](c2ccc(Cl)cc2)c2ccccn2)C1 ZINC000925622396 664673554 /nfs/dbraw/zinc/67/35/54/664673554.db2.gz LCGQTZQDRVNSIF-KSSFIOAISA-N 1 0 379.913 2.696 20 0 GFADRO O=S1(=O)CCNC[C@@H]1CC[NH2+][C@H]1CCCc2c(Cl)sc(Cl)c21 ZINC000925791961 664674844 /nfs/dbraw/zinc/67/48/44/664674844.db2.gz HLWRPCSQHHNVNQ-ONGXEEELSA-N 1 0 383.366 2.799 20 0 GFADRO C[C@H]([NH2+]CC[C@@H]1CNCCS1(=O)=O)c1ccc(SCC(F)(F)F)cc1 ZINC000925791754 664674880 /nfs/dbraw/zinc/67/48/80/664674880.db2.gz GSTJCOIXQYPSEG-SWLSCSKDSA-N 1 0 396.500 2.768 20 0 GFADRO CC[C@H](CSc1ccc(Cl)cc1)[NH2+]CC[C@H]1CNCCS1(=O)=O ZINC000925797096 664675036 /nfs/dbraw/zinc/67/50/36/664675036.db2.gz OXCGQMNVAMQFFF-ZBFHGGJFSA-N 1 0 376.975 2.577 20 0 GFADRO C[C@@H]1CN(C(=O)Nc2cc3c(cc2Br)OCCO3)CC[C@@H]1C[NH3+] ZINC000925909430 664677295 /nfs/dbraw/zinc/67/72/95/664677295.db2.gz IGNDAXSAXAMMRA-GHMZBOCLSA-N 1 0 384.274 2.669 20 0 GFADRO [NH3+][C@]1(CO)CCCN(C(=O)Nc2cc(Cl)ccc2OCC(F)(F)F)C1 ZINC000925925904 664677576 /nfs/dbraw/zinc/67/75/76/664677576.db2.gz JKUDEBKEOKDOOS-CQSZACIVSA-N 1 0 381.782 2.599 20 0 GFADRO [NH3+][C@@]1(CO)CCCN(C(=O)Nc2ccc(Br)cc2C(F)(F)F)C1 ZINC000925966599 664678322 /nfs/dbraw/zinc/67/83/22/664678322.db2.gz VRTQZRBEXXDSAP-ZDUSSCGKSA-N 1 0 396.207 2.785 20 0 GFADRO O=C(NCCCCCN1CC[NH2+]CC1)Nc1cc(Br)ccc1F ZINC000926028723 664679409 /nfs/dbraw/zinc/67/94/09/664679409.db2.gz WEPHASNVTOBKDP-UHFFFAOYSA-N 1 0 387.297 2.785 20 0 GFADRO COC(=O)c1cc(Br)ccc1NC(=O)N1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000926078822 664681118 /nfs/dbraw/zinc/68/11/18/664681118.db2.gz FBIDBFVMFIZWEV-MNOVXSKESA-N 1 0 384.274 2.684 20 0 GFADRO CC1(C)CN(C(=O)Nc2ccnn2Cc2ccccc2Br)C[C@H]1[NH3+] ZINC000926098868 664681673 /nfs/dbraw/zinc/68/16/73/664681673.db2.gz GORYORIBVPFIIX-CQSZACIVSA-N 1 0 392.301 2.895 20 0 GFADRO Cc1c(Br)cccc1C(=O)N[C@@H]1C[C@]2(C[N@@H+](C)[C@H]2C(C)C)C[C@H]1O ZINC000926169356 664683632 /nfs/dbraw/zinc/68/36/32/664683632.db2.gz DAVSMQYBQLHANF-VXIBKDFQSA-N 1 0 395.341 2.967 20 0 GFADRO Cc1ccc(Br)c(C(=O)N[C@@H]2C[C@]3(C[N@@H+](C)[C@H]3C(C)C)C[C@H]2O)c1 ZINC000926171811 664683770 /nfs/dbraw/zinc/68/37/70/664683770.db2.gz WYLNZWRNQJFZHQ-VXIBKDFQSA-N 1 0 395.341 2.967 20 0 GFADRO [NH3+][C@@H]1CC[C@H](CNC(=O)Nc2ccc(I)cc2F)C1 ZINC000926171953 664683777 /nfs/dbraw/zinc/68/37/77/664683777.db2.gz BJJWYGUFCGHBLC-WCBMZHEXSA-N 1 0 377.201 2.679 20 0 GFADRO [NH3+]CC[C@H](NC(=O)N1CCC[C@@H](c2nc3c(s2)CCC3)C1)C(F)(F)F ZINC000926171414 664683795 /nfs/dbraw/zinc/68/37/95/664683795.db2.gz VKIBGPPCLPDMAH-MFKMUULPSA-N 1 0 376.448 2.801 20 0 GFADRO Cc1ccc(Br)c(C(=O)N[C@@H]2C[C@@]3(C[N@@H+](C)[C@@H]3C(C)C)C[C@H]2O)c1 ZINC000926171807 664683811 /nfs/dbraw/zinc/68/38/11/664683811.db2.gz WYLNZWRNQJFZHQ-MTNOOBJLSA-N 1 0 395.341 2.967 20 0 GFADRO [NH3+][C@@]1(CO)CCCN(C(=O)Nc2cc(Cl)c(Br)cc2F)C1 ZINC000926181902 664684118 /nfs/dbraw/zinc/68/41/18/664684118.db2.gz WYXRYAOHYPLVJK-ZDUSSCGKSA-N 1 0 380.645 2.559 20 0 GFADRO CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NC(=O)c1ccc(Br)c(F)c1)C2 ZINC000926177328 664684166 /nfs/dbraw/zinc/68/41/66/664684166.db2.gz UXTSKFUVSGBFPC-XLMAVXFVSA-N 1 0 399.304 2.798 20 0 GFADRO CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NC(=O)c1cc(F)ccc1Br)C2 ZINC000926189038 664684518 /nfs/dbraw/zinc/68/45/18/664684518.db2.gz JXGTXRKBYXJIIN-YFHUEUNASA-N 1 0 399.304 2.798 20 0 GFADRO Brc1cccc(N2CC[C@H]([NH2+][C@@H]3CCOC34CCOCC4)C2)c1 ZINC000926307359 664687521 /nfs/dbraw/zinc/68/75/21/664687521.db2.gz OSDKIJPUWQPFKO-DOTOQJQBSA-N 1 0 381.314 2.956 20 0 GFADRO C[C@H]([NH2+][C@@H](C)C1CCN(S(C)(=O)=O)CC1)c1nc(C(F)(F)F)cs1 ZINC000926310768 664687542 /nfs/dbraw/zinc/68/75/42/664687542.db2.gz RNLMODUYZMGTKJ-UWVGGRQHSA-N 1 0 385.477 2.873 20 0 GFADRO CC1(C)CC2(CC([NH2+]CCNS(=O)(=O)c3ccc(F)cc3Cl)C2)CO1 ZINC000926368939 664688831 /nfs/dbraw/zinc/68/88/31/664688831.db2.gz GUVHYTNUPJVNLB-UHFFFAOYSA-N 1 0 390.908 2.695 20 0 GFADRO C[C@H](Cc1ccccn1)[NH2+]CC(=O)Nc1ccc(I)cc1 ZINC000926377385 664689178 /nfs/dbraw/zinc/68/91/78/664689178.db2.gz JFGOXKCATHAAPE-GFCCVEGCSA-N 1 0 395.244 2.846 20 0 GFADRO O=C1NCC2(CCOCC2)[C@H]1[NH2+][C@H]1C[C@H](c2ccc(Br)cc2)C1 ZINC000926461973 664690091 /nfs/dbraw/zinc/69/00/91/664690091.db2.gz MCEKIBYWEGDOPV-BPUTZDHNSA-N 1 0 379.298 2.580 20 0 GFADRO Cc1ccoc1[C@@H](Cc1ccccc1Cl)[NH2+]C[C@@]1(O)CCS(=O)(=O)C1 ZINC000926508236 664690996 /nfs/dbraw/zinc/69/09/96/664690996.db2.gz QCVIXCRROMHKGW-AEFFLSMTSA-N 1 0 383.897 2.664 20 0 GFADRO C[C@@H]([NH2+]C[C@H](CO)Cc1cc(Br)ccc1F)c1cc(CO)on1 ZINC000926543150 664692015 /nfs/dbraw/zinc/69/20/15/664692015.db2.gz WAPXVNPKHQHJCY-GHMZBOCLSA-N 1 0 387.249 2.570 20 0 GFADRO CCON1CCC([NH2+]C[C@@H](CO)Cc2cc(Br)ccc2F)CC1 ZINC000926543094 664692054 /nfs/dbraw/zinc/69/20/54/664692054.db2.gz VIGVSSVOCCPWSA-ZDUSSCGKSA-N 1 0 389.309 2.745 20 0 GFADRO C[C@@H]([NH2+]C[C@H](O)c1ccc(Cl)c(Cl)c1)C1CCN(S(C)(=O)=O)CC1 ZINC000926722041 664695786 /nfs/dbraw/zinc/69/57/86/664695786.db2.gz PSRMFKICBOLEGX-BZNIZROVSA-N 1 0 395.352 2.677 20 0 GFADRO Cn1ncc(Br)c1C[NH2+]C1CCN(OCc2ccccc2)CC1 ZINC000926781877 664696555 /nfs/dbraw/zinc/69/65/55/664696555.db2.gz NPPOTNLLBCUPNV-UHFFFAOYSA-N 1 0 379.302 2.868 20 0 GFADRO CN(C)S(=O)(=O)Cc1ccc(C[NH2+][C@H]2CCc3c2nccc3Cl)cc1 ZINC000926883261 664698463 /nfs/dbraw/zinc/69/84/63/664698463.db2.gz MVHOTSFONPFAKG-KRWDZBQOSA-N 1 0 379.913 2.904 20 0 GFADRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+]CC[C@@H]2CC[C@H](C(F)(F)F)O2)cc1 ZINC000926907097 664698849 /nfs/dbraw/zinc/69/88/49/664698849.db2.gz BKJYAZDCRHTBNM-CORIIIEPSA-N 1 0 380.432 2.745 20 0 GFADRO C[C@H]([NH2+]C[C@@H]1CCCN1CC(F)(F)F)c1ccc(NS(C)(=O)=O)cc1 ZINC000926924617 664699019 /nfs/dbraw/zinc/69/90/19/664699019.db2.gz AMVBBLHTJWOODG-WFASDCNBSA-N 1 0 379.448 2.735 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)C(=O)NCC2(n3cc(Br)cn3)CC2)C[C@@H]1C ZINC000927110771 664704185 /nfs/dbraw/zinc/70/41/85/664704185.db2.gz VCMGMVBSDQDHMX-ZFWWWQNUSA-N 1 0 398.349 2.649 20 0 GFADRO CCOc1c(Cl)cc(NC(=O)C(=O)N2C[C@@H](C)[C@H](CC[NH3+])C2)cc1Cl ZINC000927828776 664716333 /nfs/dbraw/zinc/71/63/33/664716333.db2.gz IYQFNTDFRHTZJF-GHMZBOCLSA-N 1 0 388.295 2.774 20 0 GFADRO [NH3+][C@H]1CN(C(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)CC[C@H]1C(F)(F)F ZINC000927847411 664716639 /nfs/dbraw/zinc/71/66/39/664716639.db2.gz ITHHVLGKJJGMPI-MNOVXSKESA-N 1 0 384.185 2.670 20 0 GFADRO [NH3+][C@H]1CN(C(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)CC[C@@H]1C(F)(F)F ZINC000927846995 664716674 /nfs/dbraw/zinc/71/66/74/664716674.db2.gz DUSZWVAMVZHKPQ-KWQFWETISA-N 1 0 384.185 2.670 20 0 GFADRO [NH3+][C@@H]1CN(C(=O)C(=O)Nc2cccc(Cl)c2Cl)CC[C@H]1C(F)(F)F ZINC000927848558 664716795 /nfs/dbraw/zinc/71/67/95/664716795.db2.gz SIWZTYXCJCTTQR-VXNVDRBHSA-N 1 0 384.185 2.670 20 0 GFADRO O=C(N[C@@H]1CCC[N@@H+]2CCSC[C@H]12)C1(c2cncc(Br)c2)CC1 ZINC000928086610 664722333 /nfs/dbraw/zinc/72/23/33/664722333.db2.gz QAFLTIWYCKTULY-HUUCEWRRSA-N 1 0 396.354 2.572 20 0 GFADRO O=C(N[C@H]1CCC[N@@H+]2CCSC[C@@H]12)c1c[nH]c2ncc(Br)cc12 ZINC000928086039 664722374 /nfs/dbraw/zinc/72/23/74/664722374.db2.gz LQVCUQZANLIKQZ-KBPBESRZSA-N 1 0 395.326 2.635 20 0 GFADRO O=C(Cc1cc(C(F)(F)F)cc(Cl)n1)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000928088722 664722481 /nfs/dbraw/zinc/72/24/81/664722481.db2.gz IOUUCPROXWODQI-STQMWFEESA-N 1 0 393.862 2.992 20 0 GFADRO C[C@H]1[C@H](NC(=O)c2cc(Br)nn2-c2ncccc2Cl)CC[N@@H+]1C ZINC000928428480 664732376 /nfs/dbraw/zinc/73/23/76/664732376.db2.gz RPQNUKJYIQOPDD-GXSJLCMTSA-N 1 0 398.692 2.506 20 0 GFADRO C[C@@H]1[C@H](NC(=O)c2c(Cl)ccc(I)c2F)CC[N@@H+]1C ZINC000928425202 664732381 /nfs/dbraw/zinc/73/23/81/664732381.db2.gz HLCCCUWBNRYUEL-GMSGAONNSA-N 1 0 396.631 2.906 20 0 GFADRO C[C@H]1[C@H](NC(=O)CSc2nnc(-c3cccs3)n2C2CC2)CC[N@@H+]1C ZINC000928436766 664732600 /nfs/dbraw/zinc/73/26/00/664732600.db2.gz ALLNHYFNCPSZSK-WCQYABFASA-N 1 0 377.539 2.642 20 0 GFADRO C[C@H]1[C@@H](NC(=O)c2ccc(I)cc2Cl)CC[N@@H+]1C ZINC000928449653 664732817 /nfs/dbraw/zinc/73/28/17/664732817.db2.gz RUBUVWXLBYSIQH-UFBFGSQYSA-N 1 0 378.641 2.767 20 0 GFADRO COc1ccc(Br)cc1C(=O)CCC(=O)N[C@@H]1CC[N@H+](C)[C@H]1C ZINC000928458326 664732917 /nfs/dbraw/zinc/73/29/17/664732917.db2.gz WTHCRCCNDUXGQQ-SMDDNHRTSA-N 1 0 383.286 2.629 20 0 GFADRO COc1ccc(C(=O)N[C@H](CC[NH+](C)C)c2cccnc2)nc1Br ZINC000928831739 664740549 /nfs/dbraw/zinc/74/05/49/664740549.db2.gz ORHBYWSGSNUACC-CYBMUJFWSA-N 1 0 393.285 2.671 20 0 GFADRO CC(C)(C)NS(=O)(=O)C1([C@@H](O)C[N@@H+]2CCC[C@@H]2c2cccs2)CCC1 ZINC000929130601 664746858 /nfs/dbraw/zinc/74/68/58/664746858.db2.gz CGHQPNHQXAZVNZ-ZBFHGGJFSA-N 1 0 386.583 2.887 20 0 GFADRO C[NH+]1CCC2(CCN2C(=O)Nc2ccccc2I)CC1 ZINC000929136137 664746979 /nfs/dbraw/zinc/74/69/79/664746979.db2.gz ZFKHNTWSLCNSBX-UHFFFAOYSA-N 1 0 385.249 2.993 20 0 GFADRO CC(C)(C)OC(=O)NC1CC[NH+](C[C@@](C)(O)C(F)(F)C(F)(F)F)CC1 ZINC000929880839 664759067 /nfs/dbraw/zinc/75/90/67/664759067.db2.gz VGLGNWIUPAXTAJ-CYBMUJFWSA-N 1 0 376.366 2.924 20 0 GFADRO CC1(c2cccc(Br)c2)CC[NH+](C[C@H](O)C2(O)CCOCC2)CC1 ZINC000930159884 664763601 /nfs/dbraw/zinc/76/36/01/664763601.db2.gz JOYFUNCUKFLXCV-KRWDZBQOSA-N 1 0 398.341 2.705 20 0 GFADRO CC(C)(COc1ncccc1Br)[NH2+]Cc1[nH]nc2c1COCC2 ZINC000930169231 664763752 /nfs/dbraw/zinc/76/37/52/664763752.db2.gz XQQRCQBXURHXSB-UHFFFAOYSA-N 1 0 381.274 2.587 20 0 GFADRO CC[C@H](NC(=O)C(=O)NCc1cc(N(C)C)cc[nH+]1)c1ccc(Cl)s1 ZINC000930184090 664764038 /nfs/dbraw/zinc/76/40/38/664764038.db2.gz ZOVJQNNFIAXEPV-ZDUSSCGKSA-N 1 0 380.901 2.746 20 0 GFADRO Cc1cc(C[N@@H+]2CC[C@@]3(CNC(=O)C3)C2)c(C)cc1I ZINC000930265778 664765633 /nfs/dbraw/zinc/76/56/33/664765633.db2.gz HDMVIFRYMXITME-MRXNPFEDSA-N 1 0 384.261 2.620 20 0 GFADRO C[NH+]1CCC(OCC(=O)N2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)CC1 ZINC000930455020 664771004 /nfs/dbraw/zinc/77/10/04/664771004.db2.gz GJKWKMMRKZEIMZ-GHMZBOCLSA-N 1 0 376.341 2.687 20 0 GFADRO Cc1cc(Br)c(F)cc1NC(=O)N1CCN(C)CC[N@@H+](C)CC1 ZINC000930885868 664780230 /nfs/dbraw/zinc/78/02/30/664780230.db2.gz BDHQUMBJDXASCB-UHFFFAOYSA-N 1 0 387.297 2.608 20 0 GFADRO CC(=O)N1CCC([N@@H+]2CC[C@@]3(C)[C@@H](C2)C3(Br)Br)CC1 ZINC000930926250 664781064 /nfs/dbraw/zinc/78/10/64/664781064.db2.gz SNRAGWWCYPDOES-OLZOCXBDSA-N 1 0 394.151 2.825 20 0 GFADRO C[C@]12CC[N@H+](C[C@@H]3C[C@@H]4COC[C@H]4O3)C[C@H]1C2(Br)Br ZINC000930926614 664781093 /nfs/dbraw/zinc/78/10/93/664781093.db2.gz ZFACELMNCYJHRV-MLGHIDQZSA-N 1 0 395.135 2.618 20 0 GFADRO CC(C)[N@@H+]1CC[C@H](CNC(=O)C[C@@H]2C(=O)Nc3c2cccc3Br)C1 ZINC000930945812 664781657 /nfs/dbraw/zinc/78/16/57/664781657.db2.gz PTOYPZMICNNWFP-OCCSQVGLSA-N 1 0 394.313 2.721 20 0 GFADRO C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)c1ncc(Br)cn1 ZINC000930982862 664782475 /nfs/dbraw/zinc/78/24/75/664782475.db2.gz SJPKTCLOPOPTBY-UHFFFAOYSA-N 1 0 399.239 2.721 20 0 GFADRO Cc1nccc(NC(=O)N[C@@H](CC[NH+](C)C)c2cccnc2)c1Br ZINC000931017229 664783006 /nfs/dbraw/zinc/78/30/06/664783006.db2.gz OIBUMWBGLLCRSK-AWEZNQCLSA-N 1 0 392.301 2.784 20 0 GFADRO CN(CC(C)(C)C[NH+](C)C)C(=O)Nc1ccc(Cl)c(S(C)(=O)=O)c1 ZINC000931046134 664783987 /nfs/dbraw/zinc/78/39/87/664783987.db2.gz HMFHPVSXTQSQIE-UHFFFAOYSA-N 1 0 375.922 2.795 20 0 GFADRO Nc1nc(Br)ccc1C[NH2+][C@H](c1ccncc1)C1(CO)CCC1 ZINC000931080418 664784789 /nfs/dbraw/zinc/78/47/89/664784789.db2.gz ZCTIXWGTGXGTSV-OAHLLOKOSA-N 1 0 377.286 2.815 20 0 GFADRO CC[N@@H+]1CCC[C@@H](CNC(=O)C[C@H]2C(=O)Nc3ccc(Br)cc32)C1 ZINC000931126322 664786660 /nfs/dbraw/zinc/78/66/60/664786660.db2.gz NWBQUBSNCHOAFF-SWLSCSKDSA-N 1 0 394.313 2.723 20 0 GFADRO Cc1cc(Br)ccc1[C@@H]1CCC[N@@H+]1CC1CN(S(C)(=O)=O)C1 ZINC000931261290 664789657 /nfs/dbraw/zinc/78/96/57/664789657.db2.gz RWGFJFRKLXZVHL-INIZCTEOSA-N 1 0 387.343 2.786 20 0 GFADRO Brc1ccc2nc(CN3CCC([N@@H+]4CCCOCC4)CC3)cn2c1 ZINC000931291483 664790806 /nfs/dbraw/zinc/79/08/06/664790806.db2.gz TVDBABAFKIYEDG-UHFFFAOYSA-N 1 0 393.329 2.784 20 0 GFADRO C[C@H](C(=O)Nc1cccc(Br)c1)N1CC[NH+](CCCCCO)CC1 ZINC000931499480 664796492 /nfs/dbraw/zinc/79/64/92/664796492.db2.gz XYXZMILHSIKUQK-OAHLLOKOSA-N 1 0 398.345 2.556 20 0 GFADRO COC(=O)[C@@H](c1ccccc1Br)N1CCc2[nH+]ccc(N)c2C1 ZINC000931516449 664797073 /nfs/dbraw/zinc/79/70/73/664797073.db2.gz UAYIZWSOBQNLIU-MRXNPFEDSA-N 1 0 376.254 2.699 20 0 GFADRO Nc1cc[nH+]c2c1CN([C@H]1CCc3cc(Br)ccc3NC1=O)CC2 ZINC000931516151 664797092 /nfs/dbraw/zinc/79/70/92/664797092.db2.gz IMJAIHAUEJCLIQ-KRWDZBQOSA-N 1 0 387.281 2.738 20 0 GFADRO CCCS(=O)(=O)Nc1cc(NC(=O)CC[NH2+]C(C)(C)C)c(F)cc1F ZINC000931590868 664800006 /nfs/dbraw/zinc/80/00/06/664800006.db2.gz UONCSYIWKWQANE-UHFFFAOYSA-N 1 0 377.457 2.833 20 0 GFADRO CC[C@@](O)(C[NH+]1CCC(Cc2ncc(C(=O)OC)s2)CC1)C(F)(F)F ZINC000931683807 664802594 /nfs/dbraw/zinc/80/25/94/664802594.db2.gz BBIWZORIAUVCBA-OAHLLOKOSA-N 1 0 380.432 2.888 20 0 GFADRO CC(C)[N@@H+]1CCCN(C(=O)C[C@H]2C(=O)Nc3ccc(Br)cc32)CC1 ZINC000931794492 664805089 /nfs/dbraw/zinc/80/50/89/664805089.db2.gz MAGNBKMDMGQTCQ-OAHLLOKOSA-N 1 0 394.313 2.818 20 0 GFADRO Cc1cccc(CN(CC[NH+](C)C)C(=O)c2ncc(Br)cn2)c1 ZINC000931893978 664806960 /nfs/dbraw/zinc/80/69/60/664806960.db2.gz NETNQZGLHKSTNY-UHFFFAOYSA-N 1 0 377.286 2.752 20 0 GFADRO C[NH+](C)C[C@H]1CCCCN1C(=O)C[C@@H]1C(=O)Nc2c1cccc2Br ZINC000931906297 664807137 /nfs/dbraw/zinc/80/71/37/664807137.db2.gz RYQXFYJFGZLVRR-OCCSQVGLSA-N 1 0 394.313 2.818 20 0 GFADRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)c1ncc(C(F)(F)F)cc1Cl ZINC000932034399 664809285 /nfs/dbraw/zinc/80/92/85/664809285.db2.gz LSFGLAPVLNAXIA-LBPRGKRZSA-N 1 0 379.810 2.937 20 0 GFADRO C[C@]1(C2CC[NH+](C[C@@H](O)c3ccc(Br)cc3)CC2)COC(=O)N1 ZINC000932090943 664810014 /nfs/dbraw/zinc/81/00/14/664810014.db2.gz CSWFWKJONXUKBI-NVXWUHKLSA-N 1 0 383.286 2.693 20 0 GFADRO CCNC(=O)c1cc(NC(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@@H]23)c(C)s1 ZINC000932187234 664812487 /nfs/dbraw/zinc/81/24/87/664812487.db2.gz JGLVCGJVGHIWLY-OCCSQVGLSA-N 1 0 382.555 2.508 20 0 GFADRO Cn1nccc1[C@@H]1CCC[N@@H+]1C[C@H](O)COc1ccc(Br)cc1 ZINC000932275081 664817851 /nfs/dbraw/zinc/81/78/51/664817851.db2.gz LZEIFIMRDNXAMH-YOEHRIQHSA-N 1 0 380.286 2.759 20 0 GFADRO O=C(CC[NH+]1CCC([C@@H]2COC(=O)N2)CC1)Nc1ccccc1Br ZINC000932777456 664837381 /nfs/dbraw/zinc/83/73/81/664837381.db2.gz YNOCTLAMWKWOGG-HNNXBMFYSA-N 1 0 396.285 2.598 20 0 GFADRO Cc1ncc(NC(=O)NCCCC[NH+]2CCN(C)CC2)c(C)c1Br ZINC000932786839 664838514 /nfs/dbraw/zinc/83/85/14/664838514.db2.gz YPJJFAHAJIDTCH-UHFFFAOYSA-N 1 0 398.349 2.610 20 0 GFADRO O=C1NC[C@@H](O)CC12CC[NH+](Cc1ccc(Cl)c(C(F)(F)F)c1)CC2 ZINC000932830276 664841315 /nfs/dbraw/zinc/84/13/15/664841315.db2.gz APJZILZTNOKLJS-LBPRGKRZSA-N 1 0 376.806 2.822 20 0 GFADRO COc1ncc(NC(=O)N(C)C[C@H]2CCC[N@H+](C)C2)c(C)c1Br ZINC000932946716 664844259 /nfs/dbraw/zinc/84/42/59/664844259.db2.gz TWNBVPBIMQGHDT-LBPRGKRZSA-N 1 0 385.306 2.967 20 0 GFADRO CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)Nc2c(F)ccc(Br)c2F)C1 ZINC000933303685 664857622 /nfs/dbraw/zinc/85/76/22/664857622.db2.gz RIPWNYKFFDCDPE-VIFPVBQESA-N 1 0 392.244 2.694 20 0 GFADRO CCS(=O)(=O)CCCCC[NH2+]C1(c2ncc(Br)cn2)CCC1 ZINC000933321010 664859004 /nfs/dbraw/zinc/85/90/04/664859004.db2.gz IWSXSRBDFDINND-UHFFFAOYSA-N 1 0 390.347 2.813 20 0 GFADRO Cc1nnc(C[NH2+][C@](C)(CO)Cc2ccc(Br)cc2)n1C1CC1 ZINC000933437087 664864028 /nfs/dbraw/zinc/86/40/28/664864028.db2.gz LPKPTTNIUQCQTN-KRWDZBQOSA-N 1 0 379.302 2.767 20 0 GFADRO C[NH+]1CCC(OCC(=O)Nc2nnc(Cc3cccc(Cl)c3)s2)CC1 ZINC000933738736 664875954 /nfs/dbraw/zinc/87/59/54/664875954.db2.gz MZAHOJLFKXLDIY-UHFFFAOYSA-N 1 0 380.901 2.832 20 0 GFADRO CCOC(=O)[C@@H]1[C@H](C)C[C@H](C)[N@H+](C[C@H](O)P(=O)(OCC)OCC)[C@@H]1C ZINC000934166220 664891445 /nfs/dbraw/zinc/89/14/45/664891445.db2.gz NCQQIUFPWSYKBW-YIDVYQOGSA-N 1 0 379.434 2.869 20 0 GFADRO C[C@H](C(=O)Nc1cc(Cl)ccc1Cl)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000934260741 664895122 /nfs/dbraw/zinc/89/51/22/664895122.db2.gz NYUVVCSMOMFXJA-CSMYWGQOSA-N 1 0 386.323 2.851 20 0 GFADRO Cc1c(Br)cncc1NC(=O)N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000934269793 664896603 /nfs/dbraw/zinc/89/66/03/664896603.db2.gz ASRXTIQAQLLNNC-AWEZNQCLSA-N 1 0 397.317 2.917 20 0 GFADRO Cc1c(Br)cncc1NC(=O)N(C)CC[NH+]1CC2(C1)CCOCC2 ZINC000934271235 664896975 /nfs/dbraw/zinc/89/69/75/664896975.db2.gz DFRPJPMLPNSAEN-UHFFFAOYSA-N 1 0 397.317 2.729 20 0 GFADRO C[C@@H]([NH2+][C@@H]1CCOC12CCOCC2)C(=O)Nc1ccccc1Br ZINC000934408664 664906224 /nfs/dbraw/zinc/90/62/24/664906224.db2.gz HUWDXKHDUKTGCT-IUODEOHRSA-N 1 0 383.286 2.704 20 0 GFADRO C[C@@H]([NH2+][C@@H]1CCOC12CCOCC2)C(=O)Nc1cccc(Br)c1 ZINC000934409391 664906227 /nfs/dbraw/zinc/90/62/27/664906227.db2.gz VGMKMOYDRAKYGF-IUODEOHRSA-N 1 0 383.286 2.704 20 0 GFADRO Brc1cc2c(cc1C[NH2+][C@@H]1CCOC13CCOCC3)OCCO2 ZINC000934410948 664906459 /nfs/dbraw/zinc/90/64/59/664906459.db2.gz SRACEZCRKSEXFA-MRXNPFEDSA-N 1 0 384.270 2.648 20 0 GFADRO CN(Cc1cccs1)C(=O)C[NH2+][C@](C)(CO)c1cccc(Br)c1 ZINC000934499122 664909507 /nfs/dbraw/zinc/90/95/07/664909507.db2.gz OCULSOLQARJWRT-QGZVFWFLSA-N 1 0 397.338 2.966 20 0 GFADRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1cc(Br)c2nccnc2c1 ZINC000934579183 664912294 /nfs/dbraw/zinc/91/22/94/664912294.db2.gz WMYKQNMOVXRKQX-MEBBXXQBSA-N 1 0 375.270 2.605 20 0 GFADRO CC(C)[NH+]1CCC(O)(CNC(=O)c2cc(Br)cnc2C2CC2)CC1 ZINC000934737217 664916182 /nfs/dbraw/zinc/91/61/82/664916182.db2.gz XQHWPCXORODMSM-UHFFFAOYSA-N 1 0 396.329 2.687 20 0 GFADRO CCN(CCC[NH+]1CCC(CN=[S@@](C)(=O)N(C)C)CC1)CC(F)(F)F ZINC000934748078 664918096 /nfs/dbraw/zinc/91/80/96/664918096.db2.gz AXEKDCKAICDUPC-RUZDIDTESA-N 1 0 386.528 2.547 20 0 GFADRO OC[C@@H]([NH2+]CC[C@@H]1CCCCO1)c1ccccc1I ZINC000934825757 664924319 /nfs/dbraw/zinc/92/43/19/664924319.db2.gz GDLLCQKHVBDGOP-SWLSCSKDSA-N 1 0 375.250 2.873 20 0 GFADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3nc(Br)c4ccccn43)CC[C@@H]21 ZINC000934890313 664928343 /nfs/dbraw/zinc/92/83/43/664928343.db2.gz MSJISYQNBPIFGA-OLZOCXBDSA-N 1 0 377.286 2.653 20 0 GFADRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)c2cc(Br)cn3ncnc23)C1 ZINC000935002475 664933227 /nfs/dbraw/zinc/93/32/27/664933227.db2.gz UMWRAAINOURFCU-CYBMUJFWSA-N 1 0 394.317 2.590 20 0 GFADRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)c1nc(Br)c2ccccn21 ZINC000935151096 664942851 /nfs/dbraw/zinc/94/28/51/664942851.db2.gz KCDXWKASNJSULE-LBPRGKRZSA-N 1 0 379.302 2.899 20 0 GFADRO C[NH+]1CCC(OCC(=O)N[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2)CC1 ZINC000935271243 664949737 /nfs/dbraw/zinc/94/97/37/664949737.db2.gz RLJKKSUHYKYPSS-ZDUSSCGKSA-N 1 0 386.323 2.799 20 0 GFADRO CS[C@H]1CN(C(=O)c2cnc(Br)c(C)c2)C[C@@H]1[NH+]1CCCC1 ZINC000935367619 664957000 /nfs/dbraw/zinc/95/70/00/664957000.db2.gz MZCDXOUJVGLXDR-KBPBESRZSA-N 1 0 384.343 2.804 20 0 GFADRO CCCN(CC[NH+](CC)CC)C(=O)c1cc(Br)cn2ncnc12 ZINC000935405487 664959380 /nfs/dbraw/zinc/95/93/80/664959380.db2.gz XNEFVFHLBZSOKJ-UHFFFAOYSA-N 1 0 382.306 2.686 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)c1cc(Br)cnc1Br ZINC000935482632 664964558 /nfs/dbraw/zinc/96/45/58/664964558.db2.gz NGKNXEHENZCPCW-GHMZBOCLSA-N 1 0 391.107 2.819 20 0 GFADRO COc1cc(Br)cc(C(=O)N2CC[N@@H+](C3CCOCC3)C[C@H]2C)c1 ZINC000935699722 664982784 /nfs/dbraw/zinc/98/27/84/664982784.db2.gz OKRPWVVMPHMRQP-CYBMUJFWSA-N 1 0 397.313 2.783 20 0 GFADRO Cc1[nH]nc(Br)c1C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000935742676 664985738 /nfs/dbraw/zinc/98/57/38/664985738.db2.gz ATNXOTMNDPLJNB-GASCZTMLSA-N 1 0 389.297 2.685 20 0 GFADRO CCCCS(=O)(=O)CC(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000935883455 664995126 /nfs/dbraw/zinc/99/51/26/664995126.db2.gz SQPZJCOWFBEFRH-INIZCTEOSA-N 1 0 386.583 2.552 20 0 GFADRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1cnn2cccc(Br)c12 ZINC000935976330 665002270 /nfs/dbraw/zinc/00/22/70/665002270.db2.gz MARHDSBWQWKGLV-IUODEOHRSA-N 1 0 377.286 2.796 20 0 GFADRO Cc1ccc(Br)c2[nH]c(C(=O)N3CC[C@H]([N@@H+]4CC[C@H](O)C4)C3)cc21 ZINC000935985809 665002742 /nfs/dbraw/zinc/00/27/42/665002742.db2.gz QWNCCSYFAKSENN-STQMWFEESA-N 1 0 392.297 2.520 20 0 GFADRO O=C([C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)N1CC[C@@H]([NH2+]Cc2cscc2Br)C1 ZINC000969400128 665014857 /nfs/dbraw/zinc/01/48/57/665014857.db2.gz CEZHZQMGLYHZPO-YAWIJTDMSA-N 1 0 397.338 2.625 20 0 GFADRO CC[C@@H]1[C@@H](C(=O)N[C@H]2CCN(C(=O)c3cc(Cl)cs3)[C@@H]2C)CC[N@@H+]1C ZINC000988331807 665020482 /nfs/dbraw/zinc/02/04/82/665020482.db2.gz AGMYMHVOOPPZLA-UQOMUDLDSA-N 1 0 383.945 2.851 20 0 GFADRO C[C@H]1CCC[N@@H+]1CC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(Cl)cs1)C2 ZINC000996388441 665030867 /nfs/dbraw/zinc/03/08/67/665030867.db2.gz RSJWWXYPLBQIDU-ATGSNQNLSA-N 1 0 381.929 2.748 20 0 GFADRO C[C@H]1CCC[N@@H+]1CC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1csc(Cl)c1)C2 ZINC000996388328 665030926 /nfs/dbraw/zinc/03/09/26/665030926.db2.gz PRVYMNBOJYHAAL-ATGSNQNLSA-N 1 0 381.929 2.748 20 0 GFADRO C[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cscc1Cl ZINC000998075165 665038602 /nfs/dbraw/zinc/03/86/02/665038602.db2.gz IQHUHNLVLWDTRP-IPOQPSJVSA-N 1 0 381.929 2.748 20 0 GFADRO Cc1csc(Cl)c1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[N@H+]1C)C2 ZINC001001697759 665052285 /nfs/dbraw/zinc/05/22/85/665052285.db2.gz HVZVZMJKYVRDLT-MQYQWHSLSA-N 1 0 381.929 2.666 20 0 GFADRO C[C@@H]1CCC[N@@H+]1CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccsc1Cl)C2 ZINC001002619734 665056445 /nfs/dbraw/zinc/05/64/45/665056445.db2.gz ONMJHEGXKWYSLI-GBOPCIDUSA-N 1 0 381.929 2.748 20 0 GFADRO C[N@@H+]1CCCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1sccc1Cl)C2 ZINC001003331339 665059673 /nfs/dbraw/zinc/05/96/73/665059673.db2.gz VPIPUBGTBKCYIJ-RZFFKMDDSA-N 1 0 381.929 2.748 20 0 GFADRO C[NH+](C)[C@H](C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cscc1Cl)C2)C1CC1 ZINC001003449539 665061030 /nfs/dbraw/zinc/06/10/30/665061030.db2.gz UFNGWFQMLVXERJ-FWYOQMDTSA-N 1 0 381.929 2.603 20 0 GFADRO C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2cscc2Cl)C1 ZINC001004359464 665064141 /nfs/dbraw/zinc/06/41/41/665064141.db2.gz IEFCJQLBMBWETE-OJDYBEQGSA-N 1 0 381.929 2.605 20 0 GFADRO C[N@H+](CCCO)C1CCN(C[C@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000115547466 677395379 /nfs/dbraw/zinc/39/53/79/677395379.db2.gz JRZIWWCGSGHZKR-HNNXBMFYSA-N 1 0 391.339 2.512 20 0 GFADRO O=S(=O)(c1ccc(OCC[NH2+]Cc2cccc(O)c2)cc1)C(F)(F)F ZINC000121655810 677400185 /nfs/dbraw/zinc/40/01/85/677400185.db2.gz GOEMTECTKKWMJK-UHFFFAOYSA-N 1 0 375.368 2.854 20 0 GFADRO Cn1ncc(Br)c1C[NH2+]C[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000381891013 677406506 /nfs/dbraw/zinc/40/65/06/677406506.db2.gz DOKTYLFOMWZVEV-NEPJUHHUSA-N 1 0 387.322 2.966 20 0 GFADRO C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1[NH2+]Cc1c(Br)cnn1C ZINC000389777854 677408509 /nfs/dbraw/zinc/40/85/09/677408509.db2.gz BTJKFBHMOPCMOI-YPMHNXCESA-N 1 0 387.322 2.918 20 0 GFADRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)C3=Cc4cc(Br)ccc4OC3)C[C@H]21 ZINC000579581632 677673453 /nfs/dbraw/zinc/67/34/53/677673453.db2.gz OUSSQIIFKVHVLY-IUIKQTSFSA-N 1 0 377.282 2.811 20 0 GFADRO Brc1cccc2[nH]c(C[NH2+]C3CCN(c4cnccn4)CC3)nc21 ZINC000580155004 677673738 /nfs/dbraw/zinc/67/37/38/677673738.db2.gz RQOJHONWXJKOAN-UHFFFAOYSA-N 1 0 387.285 2.874 20 0 GFADRO FC(F)(c1cnc(Cl)c(-c2ccncc2)c1)N1CC[C@H]2[NH2+]CCO[C@@H]2C1 ZINC001164388311 718825352 /nfs/dbraw/zinc/82/53/52/718825352.db2.gz ADKKUAULBQBHAH-HZPDHXFCSA-N 1 0 380.826 2.909 20 0 GFADRO CSCc1nc2sc3c(c2c(N2CCN4CC[NH2+]C[C@H]4C2)n1)CCCC3 ZINC001164402797 718839938 /nfs/dbraw/zinc/83/99/38/718839938.db2.gz HMQIAKAIIYHREP-ZDUSSCGKSA-N 1 0 389.594 2.527 20 0 GFADRO FC(F)(c1ccc2nc(Cl)nc(Cl)c2c1)N1CCOCC12C[NH2+]C2 ZINC001164407106 718860071 /nfs/dbraw/zinc/86/00/71/718860071.db2.gz WPEMQIUTODJDLU-UHFFFAOYSA-N 1 0 375.206 2.660 20 0 GFADRO FC(F)(Oc1ccc2c(Cl)ncnc2c1)N1CCO[C@@H]2C[NH2+]CC[C@H]2C1 ZINC001164410423 718863621 /nfs/dbraw/zinc/86/36/21/718863621.db2.gz ZZTGIVRUQXFFEE-XHDPSFHLSA-N 1 0 384.814 2.523 20 0 GFADRO CCOC(=O)C1CC[NH+](C2CCN(c3cc(OC)cc(Cl)n3)CC2)CC1 ZINC001164614867 719025199 /nfs/dbraw/zinc/02/51/99/719025199.db2.gz ZRISTEMDUFRDLH-UHFFFAOYSA-N 1 0 381.904 2.988 20 0 GFADRO CCS(=O)(=O)c1ccnc(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC001164628818 719114210 /nfs/dbraw/zinc/11/42/10/719114210.db2.gz OSBROQFTYSUURF-ICSRJNTNSA-N 1 0 385.533 2.976 20 0 GFADRO COC(=O)c1ccc(C(F)(F)N2C[C@@H](CF)[C@H](C3([NH3+])CC3)C2)c(Cl)n1 ZINC001164622399 719118344 /nfs/dbraw/zinc/11/83/44/719118344.db2.gz BYZCHKSGIZYLIY-MWLCHTKSSA-N 1 0 377.794 2.580 20 0 GFADRO COC(=O)c1cc(Cl)nc(C(F)(F)N2C[C@H](C3([NH3+])CC3)[C@H](CF)C2)c1 ZINC001164623974 719119524 /nfs/dbraw/zinc/11/95/24/719119524.db2.gz SSYBLVUOFCBPMH-MNOVXSKESA-N 1 0 377.794 2.580 20 0 GFADRO Cc1noc([C@@H]2C[C@@H]3CCN(c4cccc(OCC[NH+]5CCCC5)n4)C[C@@H]3O2)n1 ZINC001164654714 719300215 /nfs/dbraw/zinc/30/02/15/719300215.db2.gz RODFNAVXTICRIV-BZSNNMDCSA-N 1 0 399.495 2.604 20 0 GFADRO C[N@@H+]1CCO[C@H]2CN(c3ccc(-c4ccc(N5CCCCC5)cc4)nn3)C[C@@H]21 ZINC001164666139 719469072 /nfs/dbraw/zinc/46/90/72/719469072.db2.gz BWDMHMSEUXMBTR-SFTDATJTSA-N 1 0 379.508 2.653 20 0 GFADRO Cc1nc(N2CCC3(CC2)COCCN3Cc2ccc(F)cc2)cc(N(C)C)[nH+]1 ZINC001164671360 719496239 /nfs/dbraw/zinc/49/62/39/719496239.db2.gz DVJQQEUFHOJZOS-UHFFFAOYSA-N 1 0 399.514 2.862 20 0 GFADRO CCOC(=O)c1cc(Cl)nc(-n2nc(CN(C)C(C)C)c3c2C[NH2+]CC3)c1 ZINC001164683241 719601572 /nfs/dbraw/zinc/60/15/72/719601572.db2.gz HXOSMRLSQVXLGO-UHFFFAOYSA-N 1 0 391.903 2.583 20 0 GFADRO COc1ccccc1-c1cc(-n2nc(CN(C)C(C)C)c3c2C[NH2+]CC3)ncn1 ZINC001164679803 719642731 /nfs/dbraw/zinc/64/27/31/719642731.db2.gz NSMYKTYKRCRUNO-UHFFFAOYSA-N 1 0 392.507 2.824 20 0 GFADRO COc1ccccc1-c1ccnc(-n2nc(CN(C)C(C)C)c3c2C[NH2+]CC3)n1 ZINC001164680184 719643377 /nfs/dbraw/zinc/64/33/77/719643377.db2.gz RTHCPHAFNGJANS-UHFFFAOYSA-N 1 0 392.507 2.824 20 0 GFADRO CC(C)N(C)Cc1nn(-c2ccc(-c3cccc(F)c3)nn2)c2c1CC[NH2+]C2 ZINC001164680176 719644431 /nfs/dbraw/zinc/64/44/31/719644431.db2.gz RJBZALSTZBSJJR-UHFFFAOYSA-N 1 0 380.471 2.954 20 0 GFADRO CC(C)N(C)C(=O)c1noc2c1CN(c1ncccc1C[NH+]1CCCC1)CC2 ZINC001164696007 719788840 /nfs/dbraw/zinc/78/88/40/719788840.db2.gz QZDODOAMXHGDIW-UHFFFAOYSA-N 1 0 383.496 2.709 20 0 GFADRO C[NH+](C)Cc1ccnc(N2CCC3(CC2)CN(c2ccccc2)C(=O)CO3)c1 ZINC001164693443 719836893 /nfs/dbraw/zinc/83/68/93/719836893.db2.gz BCQCJFWYYLURHK-UHFFFAOYSA-N 1 0 380.492 2.546 20 0 GFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nnc(Cl)c3ccncc31)C2 ZINC001164810333 720081911 /nfs/dbraw/zinc/08/19/11/720081911.db2.gz KTSPXBMKPRMJRP-FOIQADDNSA-N 1 0 387.915 2.863 20 0 GFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nnc(Cl)c3ccncc31)C2 ZINC001164810335 720082546 /nfs/dbraw/zinc/08/25/46/720082546.db2.gz KTSPXBMKPRMJRP-QRWLVFNGSA-N 1 0 387.915 2.863 20 0 GFADRO CCOC(=O)c1cc(C)cc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COC)n1 ZINC001164809274 720086605 /nfs/dbraw/zinc/08/66/05/720086605.db2.gz JEQHRUDLPJJTFA-PGRDOPGGSA-N 1 0 387.524 2.751 20 0 GFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ncnc3c(OC)cccc31)C2 ZINC001164809818 720087193 /nfs/dbraw/zinc/08/71/93/720087193.db2.gz KRAIRCCWSFXOEL-JTSKRJEESA-N 1 0 382.508 2.823 20 0 GFADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncnc3cc[nH]c31)CC2 ZINC001164710193 720095477 /nfs/dbraw/zinc/09/54/77/720095477.db2.gz HBJGMQAYBAGNLB-GOSISDBHSA-N 1 0 392.507 2.860 20 0 GFADRO COCc1ccnc(N2CCC3(C[C@@H](COC)[N@@H+](Cc4ccccn4)C3)CC2)n1 ZINC001164717466 720115088 /nfs/dbraw/zinc/11/50/88/720115088.db2.gz PDVFNXIPCXTOQG-FQEVSTJZSA-N 1 0 397.523 2.526 20 0 GFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ncnc3cc(OC)ccc31)C2 ZINC001164814349 720116360 /nfs/dbraw/zinc/11/63/60/720116360.db2.gz RXUNYUHSHMMUKQ-HTAPYJJXSA-N 1 0 382.508 2.823 20 0 GFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cncc(N3CCCCC3)n1)C2 ZINC001164816515 720145606 /nfs/dbraw/zinc/14/56/06/720145606.db2.gz ZTRIIDLBSPKIBK-SIKLNZKXSA-N 1 0 385.556 2.652 20 0 GFADRO Cc1nc2ccsc2c(N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164820601 720287080 /nfs/dbraw/zinc/28/70/80/720287080.db2.gz WOPDKAYVWNIDRU-MSOLQXFVSA-N 1 0 399.564 2.911 20 0 GFADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2ccc3c(n2)CCCC3)CC1 ZINC001164818643 720312418 /nfs/dbraw/zinc/31/24/18/720312418.db2.gz AXHWFZUQZFOCCB-SFTDATJTSA-N 1 0 382.552 2.872 20 0 GFADRO COc1ccc(Cl)c(N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164828470 720320027 /nfs/dbraw/zinc/32/00/27/720320027.db2.gz JSEFIEBHASVCSU-IAGOWNOFSA-N 1 0 392.931 2.655 20 0 GFADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2ncc3cc(F)ccc3n2)CC1 ZINC001164832476 720330541 /nfs/dbraw/zinc/33/05/41/720330541.db2.gz UBAPQEHQVGQJNS-VQTJNVASSA-N 1 0 397.498 2.680 20 0 GFADRO CCOC(=O)c1cnc(N2CC[C@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)c(OC)c1 ZINC001164724289 720403640 /nfs/dbraw/zinc/40/36/40/720403640.db2.gz IYWJFIMZRDAVEI-ZWKOTPCHSA-N 1 0 382.464 2.515 20 0 GFADRO CCOC(=O)c1cnc2cc(N3CC[C@@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)[nH]cc1-2 ZINC001164735742 720428206 /nfs/dbraw/zinc/42/82/06/720428206.db2.gz YJKUWJKVNREMKE-WOJBJXKFSA-N 1 0 391.475 2.988 20 0 GFADRO O=c1ccccn1Cc1ccc(N2CC[C@@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)nc1 ZINC001164732416 720448830 /nfs/dbraw/zinc/44/88/30/720448830.db2.gz NFXIYBYBGBUQBM-NHCUHLMSSA-N 1 0 387.487 2.540 20 0 GFADRO CCOC(=O)c1ccc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)nc1 ZINC001164837856 720508510 /nfs/dbraw/zinc/50/85/10/720508510.db2.gz QANSJYFIWDICIG-SLFFLAALSA-N 1 0 397.523 2.833 20 0 GFADRO COc1nc(Cl)cc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)n1 ZINC001164836072 720510373 /nfs/dbraw/zinc/51/03/73/720510373.db2.gz MCQXVOYCEYZNIH-BZUAXINKSA-N 1 0 390.919 2.713 20 0 GFADRO C[NH+](C)C[C@H]1Cn2ccnc2CN(c2nc(Cl)nc(-c3ccccc3)n2)C1 ZINC001164727228 720512145 /nfs/dbraw/zinc/51/21/45/720512145.db2.gz BTUIDJNNBOJNBR-AWEZNQCLSA-N 1 0 383.887 2.587 20 0 GFADRO CCOC(=O)c1cc(Cl)nc(N2Cc3nccn3C[C@@H](C[NH+](C)C)C2)c1C ZINC001164728695 720514199 /nfs/dbraw/zinc/51/41/99/720514199.db2.gz KRSUAJHNYDSRBS-CQSZACIVSA-N 1 0 391.903 2.615 20 0 GFADRO COc1cccc2c1nc(Cl)nc2N1Cc2nccn2C[C@@H](C[NH+](C)C)C1 ZINC001164730044 720514227 /nfs/dbraw/zinc/51/42/27/720514227.db2.gz QHJXSCFXKNIRDW-CYBMUJFWSA-N 1 0 386.887 2.686 20 0 GFADRO CCOC(=O)c1cnc(Cl)c(C)c1N1Cc2nccn2C[C@H](C[NH+](C)C)C1 ZINC001164727491 720517786 /nfs/dbraw/zinc/51/77/86/720517786.db2.gz HPLFCQJNLVBMMF-AWEZNQCLSA-N 1 0 391.903 2.615 20 0 GFADRO Cc1nc(C(F)(F)N2Cc3nccn3C[C@H](C[NH+](C)C)C2)nc(Cl)c1C ZINC001164726055 720518620 /nfs/dbraw/zinc/51/86/20/720518620.db2.gz AJIPLNJAZLFDJH-ZDUSSCGKSA-N 1 0 384.862 2.686 20 0 GFADRO Cc1nc2[nH]ccc2c(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)n1 ZINC001164835244 720520172 /nfs/dbraw/zinc/52/01/72/720520172.db2.gz JGPOQAWZWAHHAD-JENIJYKNSA-N 1 0 379.512 2.841 20 0 GFADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3nc(Cl)nc(Cl)n3)CC[C@@H]21 ZINC001164837121 720523888 /nfs/dbraw/zinc/52/38/88/720523888.db2.gz NQRURZFAQJMFHQ-IHRRRGAJSA-N 1 0 396.326 2.753 20 0 GFADRO CC(C)[N@H+]1[C@@H]2CCN(c3ncnc4c3CCCC4)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164840856 720535346 /nfs/dbraw/zinc/53/53/46/720535346.db2.gz UGXVLBCUILPCQJ-LVCYWYKZSA-N 1 0 380.540 2.930 20 0 GFADRO CCN(CC)c1cc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)ncn1 ZINC001164839289 720573979 /nfs/dbraw/zinc/57/39/79/720573979.db2.gz PUOYNSNTLSNIIH-SLFFLAALSA-N 1 0 397.571 2.897 20 0 GFADRO Cc1cccc2c(Cl)nnc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)c12 ZINC001164738115 720689192 /nfs/dbraw/zinc/68/91/92/720689192.db2.gz ILEULYJQFSMTGI-CABCVRRESA-N 1 0 396.882 2.724 20 0 GFADRO Cc1nc2nc(N3CCC4(C[C@H]([N@H+](C)Cc5ccccc5)CO4)CC3)ncc2[nH]1 ZINC001164837096 720702805 /nfs/dbraw/zinc/70/28/05/720702805.db2.gz DJJUJNFKKMDTFB-SFHVURJKSA-N 1 0 392.507 2.873 20 0 GFADRO FC(F)c1nc2ccccc2c(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)n1 ZINC001164738191 720775342 /nfs/dbraw/zinc/77/53/42/720775342.db2.gz DYMUYPGQKABXRM-KGLIPLIRSA-N 1 0 398.417 2.699 20 0 GFADRO Cc1cc(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)nc(-c2ccsc2)n1 ZINC001164737917 720777704 /nfs/dbraw/zinc/77/77/04/720777704.db2.gz DLNGVNLWVPHSSS-IRXDYDNUSA-N 1 0 394.504 2.645 20 0 GFADRO CC[C@H](C)c1nc2[nH]ccc2c(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)n1 ZINC001164747472 720807330 /nfs/dbraw/zinc/80/73/30/720807330.db2.gz ODHDHSOMBFSWTI-JYJNAYRXSA-N 1 0 393.495 2.603 20 0 GFADRO c1ncn(C[C@@H]2C[C@H]3CN(c4ncc5ccccc5n4)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164748324 720808567 /nfs/dbraw/zinc/80/85/67/720808567.db2.gz QTCGQCHLRRDKRK-IRFCIJBXSA-N 1 0 389.507 2.601 20 0 GFADRO c1cc2ncnc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c2s1 ZINC001164747297 720811281 /nfs/dbraw/zinc/81/12/81/720811281.db2.gz MZNBCFLNUSXRAP-LZLYRXPVSA-N 1 0 395.536 2.662 20 0 GFADRO COCC[N@@H+]1CCO[C@@H]2CN(c3nnc(Cl)c4ccsc43)CC[C@@H]2C1 ZINC001164857727 720843764 /nfs/dbraw/zinc/84/37/64/720843764.db2.gz YOOPLNXLFUYWAB-TZMCWYRMSA-N 1 0 382.917 2.518 20 0 GFADRO COCC[N@@H+]1CCO[C@@H]2CN(c3nc(Cl)nc4c(C)cccc43)CC[C@H]2C1 ZINC001164850106 720847561 /nfs/dbraw/zinc/84/75/61/720847561.db2.gz DFJRXZLIJLEFCB-DOTOQJQBSA-N 1 0 390.915 2.765 20 0 GFADRO COCC[N@@H+]1CCO[C@@H]2CN(c3nc(C)nc4sc(C)c(C)c43)CC[C@H]2C1 ZINC001164852729 720853216 /nfs/dbraw/zinc/85/32/16/720853216.db2.gz FOWNHNVWANSSKZ-DLBZAZTESA-N 1 0 390.553 2.790 20 0 GFADRO COCC[N@@H+]1CCO[C@@H]2CN(C(F)(F)c3cnc(Cl)cc3C)CC[C@@H]2C1 ZINC001164855406 720856064 /nfs/dbraw/zinc/85/60/64/720856064.db2.gz MADHTCXQYIVBEU-GDBMZVCRSA-N 1 0 389.874 2.762 20 0 GFADRO COCC[N@@H+]1CCO[C@@H]2CN(C(F)(F)c3nc(Cl)ccc3C)CC[C@@H]2C1 ZINC001164854808 720863812 /nfs/dbraw/zinc/86/38/12/720863812.db2.gz KPHHCDKSYWDYJH-HUUCEWRRSA-N 1 0 389.874 2.762 20 0 GFADRO COCC[N@@H+]1CCO[C@H]2CN(c3ccc(-c4ccc(C)cc4)nn3)CC[C@@H]2C1 ZINC001164853802 720873652 /nfs/dbraw/zinc/87/36/52/720873652.db2.gz CVKPXCPKCXNBIB-CTNGQTDRSA-N 1 0 382.508 2.626 20 0 GFADRO COCC[N@@H+]1CCO[C@@H]2CN(c3ncnc4ccc(SC)cc43)CC[C@@H]2C1 ZINC001164857645 720887594 /nfs/dbraw/zinc/88/75/94/720887594.db2.gz KFUNLCFWKHIUML-DNVCBOLYSA-N 1 0 388.537 2.525 20 0 GFADRO Cc1nc2nc(Cl)nc(N3CCn4c(C[N@@H+](C)C(C)C)cnc4[C@@H]3C)c2[nH]1 ZINC001164862527 720946026 /nfs/dbraw/zinc/94/60/26/720946026.db2.gz VYTUXRGEXVHEKI-NSHDSACASA-N 1 0 388.907 2.933 20 0 GFADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1nc(Cl)cc(N(C)C)n1)[C@H]2C ZINC001164858609 720967991 /nfs/dbraw/zinc/96/79/91/720967991.db2.gz JOVFEGUQYAQCTG-ZDUSSCGKSA-N 1 0 377.924 2.814 20 0 GFADRO FC(F)(c1cc(Cl)ncn1)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164869415 721041533 /nfs/dbraw/zinc/04/15/33/721041533.db2.gz SSHQJKKIFZTTPG-CABCVRRESA-N 1 0 395.841 2.550 20 0 GFADRO Clc1ccc2c(ncnc2N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164868769 721059456 /nfs/dbraw/zinc/05/94/56/721059456.db2.gz QHVYASYNQAZCCY-HOTGVXAUSA-N 1 0 396.882 2.553 20 0 GFADRO Cc1cccc2ncc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)nc12 ZINC001164866011 721079028 /nfs/dbraw/zinc/07/90/28/721079028.db2.gz RELIXVZEDLKHQQ-OALUTQOASA-N 1 0 375.476 2.813 20 0 GFADRO Cc1nc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)nc2ccccc12 ZINC001164862809 721079429 /nfs/dbraw/zinc/07/94/29/721079429.db2.gz ASIIVKHQNNAVGE-RBUKOAKNSA-N 1 0 375.476 2.813 20 0 GFADRO Clc1nnc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)c2c1CCCC2 ZINC001164867401 721081087 /nfs/dbraw/zinc/08/10/87/721081087.db2.gz YIXAWNSDKLBOKR-IAGOWNOFSA-N 1 0 399.926 2.884 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4nccc5c(Cl)ccnc54)C[C@H]3C2)cn1 ZINC001164772056 721089246 /nfs/dbraw/zinc/08/92/46/721089246.db2.gz SYZQUNPTPJBILX-JKSUJKDBSA-N 1 0 382.899 2.975 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(C(F)(F)Oc4cccnc4Cl)C[C@H]3C2)cn1 ZINC001164766527 721096556 /nfs/dbraw/zinc/09/65/56/721096556.db2.gz KSCZVPWCKSRECH-LSDHHAIUSA-N 1 0 397.857 2.852 20 0 GFADRO Cc1cc2ncnc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)c2s1 ZINC001164879086 721125657 /nfs/dbraw/zinc/12/56/57/721125657.db2.gz RQGZGPDHTRHSKS-IRXDYDNUSA-N 1 0 381.505 2.874 20 0 GFADRO Cc1nnc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)c2ccccc12 ZINC001164879065 721138862 /nfs/dbraw/zinc/13/88/62/721138862.db2.gz RPAFZASWVLGJMV-RBUKOAKNSA-N 1 0 375.476 2.813 20 0 GFADRO CSc1cnc(Cl)nc1N1C[C@@H]2CC[N@H+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001164764207 721142564 /nfs/dbraw/zinc/14/25/64/721142564.db2.gz HKSZDAXQMPIMLG-KBPBESRZSA-N 1 0 378.933 2.544 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(C(F)(F)c4cc(N)cc(Cl)n4)C[C@H]3C2)cn1 ZINC001164762723 721151943 /nfs/dbraw/zinc/15/19/43/721151943.db2.gz DJYYDGHCIYJQDN-UONOGXRCSA-N 1 0 396.873 2.554 20 0 GFADRO Cc1cc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)nc(-c2ccco2)n1 ZINC001164881169 721161137 /nfs/dbraw/zinc/16/11/37/721161137.db2.gz ZLPOAOJTAQDBLH-RTBURBONSA-N 1 0 391.475 2.920 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4ccnc(Cc5ccccc5)n4)C[C@H]3C2)cn1 ZINC001164772862 721215625 /nfs/dbraw/zinc/21/56/25/721215625.db2.gz VPSYRSYRNZCARH-LEWJYISDSA-N 1 0 388.519 2.759 20 0 GFADRO c1ccc(N2CCOC3(CCN(c4ncccc4C[NH+]4CCCC4)CC3)C2)nc1 ZINC001164875160 721222059 /nfs/dbraw/zinc/22/20/59/721222059.db2.gz XAOFVULUSRUOLW-UHFFFAOYSA-N 1 0 393.535 2.948 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4cncc(N5CCCCCC5)n4)C[C@@H]3C2)cn1 ZINC001164761363 721223866 /nfs/dbraw/zinc/22/38/66/721223866.db2.gz AYTRYKREODCJHL-PMACEKPBSA-N 1 0 395.555 2.549 20 0 GFADRO COC(=O)c1cc(Cl)nc(C(F)(F)N2CC3(C2)CC[N@H+](CC2CC2)C3)c1 ZINC001164774125 721291783 /nfs/dbraw/zinc/29/17/83/721291783.db2.gz XDUWANLMBNITFN-UHFFFAOYSA-N 1 0 385.842 2.989 20 0 GFADRO Cc1nc(N2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)nc2ccccc12 ZINC001164883694 721405638 /nfs/dbraw/zinc/40/56/38/721405638.db2.gz BWXFZZCGCMPRKM-AUSIDOKSSA-N 1 0 395.551 2.704 20 0 GFADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncccc1F)CC2 ZINC001164785936 721450035 /nfs/dbraw/zinc/45/00/35/721450035.db2.gz IWBJTHWQQCXARZ-SFHVURJKSA-N 1 0 377.504 2.955 20 0 GFADRO COC(=O)c1cc(C)cc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)n1 ZINC001164912475 721542551 /nfs/dbraw/zinc/54/25/51/721542551.db2.gz ZYOHPTLBMBXSLE-AEFFLSMTSA-N 1 0 385.439 2.658 20 0 GFADRO CC(=O)Nc1c(C)ccnc1N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164909778 721549460 /nfs/dbraw/zinc/54/94/60/721549460.db2.gz RVDUMQRZDFOPMM-MJGOQNOKSA-N 1 0 384.455 2.829 20 0 GFADRO Cc1[nH]c2ncnc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@H]43)c2c1C ZINC001164804723 721557798 /nfs/dbraw/zinc/55/77/98/721557798.db2.gz MNVJTEUMRKBOAZ-WSTZPKSXSA-N 1 0 392.507 2.838 20 0 GFADRO COc1nc(C)cc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)n1 ZINC001164908917 721704046 /nfs/dbraw/zinc/70/40/46/721704046.db2.gz ZLJXNOHDIHSENT-LJQANCHMSA-N 1 0 389.450 2.926 20 0 GFADRO COc1ccc2ccnc(N3CCCC34CC[NH+](CC(=O)N(C)C)CC4)c2c1 ZINC001165011565 721742533 /nfs/dbraw/zinc/74/25/33/721742533.db2.gz ZBLKUAHDDUIJGG-UHFFFAOYSA-N 1 0 382.508 2.766 20 0 GFADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc4c(n3)NC(=O)CO4)C[C@H]21 ZINC001165018777 721815053 /nfs/dbraw/zinc/81/50/53/721815053.db2.gz ACISXFMBXXRBBE-CGTJXYLNSA-N 1 0 393.491 2.544 20 0 GFADRO CCOC(=O)c1cc2c(N3CC[C@@H]4[C@H]3CC[N@@H+]4CCN(C)C)[nH]c(C)c(C)c-2n1 ZINC001164922628 721869431 /nfs/dbraw/zinc/86/94/31/721869431.db2.gz HIVLFBGNBPDZHS-RTBURBONSA-N 1 0 399.539 2.571 20 0 GFADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4ccc(N(C)C)nn4)CC3)C2)cc1 ZINC001164939577 721920858 /nfs/dbraw/zinc/92/08/58/721920858.db2.gz UYIMSKXBZFHIJN-UHFFFAOYSA-N 1 0 381.524 2.722 20 0 GFADRO NC(=O)c1ccnc(Cl)c1N1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001164962081 722024117 /nfs/dbraw/zinc/02/41/17/722024117.db2.gz PENVPTBGMJHDLL-UHFFFAOYSA-N 1 0 385.899 2.721 20 0 GFADRO COCc1ccnc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)c1 ZINC001164963235 722054841 /nfs/dbraw/zinc/05/48/41/722054841.db2.gz JICUVVSYLWSWDQ-UHFFFAOYSA-N 1 0 382.508 2.742 20 0 GFADRO CCOc1cc2ncnc(N3C[C@@H]4C[N@@H+](CC5CC5)C[C@H](C3)O4)c2cc1OCC ZINC001164968031 722072181 /nfs/dbraw/zinc/07/21/81/722072181.db2.gz YUQYXNRSFKACBH-CALCHBBNSA-N 1 0 398.507 2.727 20 0 GFADRO Cc1cc(N2C[C@@H]3C[N@@H+](CC4CC4)C[C@H](C2)O3)nc(-c2ccc(Cl)nc2)n1 ZINC001164968193 722076974 /nfs/dbraw/zinc/07/69/74/722076974.db2.gz VNNQWWAFHVMBHJ-CALCHBBNSA-N 1 0 385.899 2.800 20 0 GFADRO COc1cc(Cl)cc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164974003 722114415 /nfs/dbraw/zinc/11/44/15/722114415.db2.gz IHBZRTATUULGLV-WMZOPIPTSA-N 1 0 388.899 2.866 20 0 GFADRO CC(C)(C)Oc1ccnc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164982487 722120329 /nfs/dbraw/zinc/12/03/29/722120329.db2.gz WRVOAKVLVHMNAY-RTBURBONSA-N 1 0 397.523 2.776 20 0 GFADRO Cc1cc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)nc2[nH]ccc21 ZINC001164980299 722129603 /nfs/dbraw/zinc/12/96/03/722129603.db2.gz MPFLBDNRDHGOLS-UYAOXDASSA-N 1 0 377.492 2.994 20 0 GFADRO CC(C)(C)c1cc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)ncn1 ZINC001164985524 722140477 /nfs/dbraw/zinc/14/04/77/722140477.db2.gz ZSPBOZSTCYJGOL-OALUTQOASA-N 1 0 381.524 2.896 20 0 GFADRO CSc1cnc(N2CCCn3cnc(COCC[NH+](C)C)c3C2)c(C)c1 ZINC001165001625 722255974 /nfs/dbraw/zinc/25/59/74/722255974.db2.gz DDHVCKXDIKLNIF-UHFFFAOYSA-N 1 0 375.542 2.797 20 0 GFADRO O=C(N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21)N1CCC2(CC1)OCCO2 ZINC000359995960 209211554 /nfs/dbraw/zinc/21/15/54/209211554.db2.gz FKPPVSWJOOMJLM-NJDAHSKKSA-N 1 0 399.535 2.836 20 0 GFADRO CC(C)(C)Oc1cccc(CCC(=O)NC[C@@H]2CCC[C@H]2[NH+]2CCOCC2)n1 ZINC000359877008 209197494 /nfs/dbraw/zinc/19/74/94/209197494.db2.gz VKQOGTUTGMMHMR-PKOBYXMFSA-N 1 0 389.540 2.809 20 0 GFADRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)c1nn(-c2ccc(F)c(F)c2)c2c1CCC2 ZINC000072012804 212056535 /nfs/dbraw/zinc/05/65/35/212056535.db2.gz PYMCYGPQPCQLQF-ZDUSSCGKSA-N 1 0 386.446 2.853 20 0 GFADRO Cc1ccc([C@@H](CNC(=O)Nc2ccc3c(c2)N(C)C(=O)CO3)[NH+](C)C)cc1 ZINC000097463504 136188475 /nfs/dbraw/zinc/18/84/75/136188475.db2.gz RUACZFHBBVWVOQ-GOSISDBHSA-N 1 0 382.464 2.775 20 0 GFADRO C[C@H](Cc1ccc(F)cc1Br)[NH2+]C[C@H]1CCCS(=O)(=O)C1 ZINC000290207684 563701418 /nfs/dbraw/zinc/70/14/18/563701418.db2.gz VMGQDDKEBWQBNP-VXGBXAGGSA-N 1 0 378.307 2.934 20 0 GFADRO CN(C[C@@H](O)COc1cc(F)cc(Br)c1)CC1([NH+](C)C)CCC1 ZINC000439436828 563724851 /nfs/dbraw/zinc/72/48/51/563724851.db2.gz HBFQOPMHGPDRMY-OAHLLOKOSA-N 1 0 389.309 2.744 20 0 GFADRO CNC(=O)c1ccc(C[NH2+]C[C@H](O)COc2c(Cl)cccc2Cl)cc1 ZINC000028920271 551124967 /nfs/dbraw/zinc/12/49/67/551124967.db2.gz WDWBFBPNMRPUKV-AWEZNQCLSA-N 1 0 383.275 2.883 20 0 GFADRO CC(C)C[C@H](CNC(=O)[C@H](C)NC(=O)c1ccc(Br)cc1)[NH+](C)C ZINC000042583795 551139714 /nfs/dbraw/zinc/13/97/14/551139714.db2.gz CLXWMYYUCPLYQS-XJKSGUPXSA-N 1 0 398.345 2.660 20 0 GFADRO CC(C)(CNC(=O)C(=O)Nc1cccc(Br)c1)[NH+]1CCCCC1 ZINC000048794383 551157380 /nfs/dbraw/zinc/15/73/80/551157380.db2.gz UYSNMIJCNKEZBZ-UHFFFAOYSA-N 1 0 382.302 2.768 20 0 GFADRO Cc1c(C(=O)NCC(C)(C)C[NH+](C)C)nnn1-c1cccc(Br)c1 ZINC000054870725 551171417 /nfs/dbraw/zinc/17/14/17/551171417.db2.gz BYAKPFBCDZLUPP-UHFFFAOYSA-N 1 0 394.317 2.656 20 0 GFADRO C[C@@H](CNS(=O)(=O)c1ccc(F)cc1Br)C[NH+]1CCCC1 ZINC000055265180 551172312 /nfs/dbraw/zinc/17/23/12/551172312.db2.gz CPEUEAFFKJGCKP-NSHDSACASA-N 1 0 379.295 2.598 20 0 GFADRO O=C(c1ccc(F)cc1I)N1CC[NH+](CC2CC2)CC1 ZINC000055673541 551174393 /nfs/dbraw/zinc/17/43/93/551174393.db2.gz UCQFMFQONPEXBN-UHFFFAOYSA-N 1 0 388.224 2.598 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)c1cnn(-c2ccc(Br)cc2)c1)C1CC1 ZINC000055720046 551174895 /nfs/dbraw/zinc/17/48/95/551174895.db2.gz ANQQHOUSKGMQRN-INIZCTEOSA-N 1 0 377.286 2.705 20 0 GFADRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc(-n2cc(Br)cn2)cc1 ZINC000058299404 551183131 /nfs/dbraw/zinc/18/31/31/551183131.db2.gz ZPNCKZVOUFUCCL-IRXDYDNUSA-N 1 0 389.297 2.991 20 0 GFADRO CC(C)C[N@H+](C)[C@H](C)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000068334821 551191531 /nfs/dbraw/zinc/19/15/31/551191531.db2.gz NSGJYTCDMHNYKZ-GFCCVEGCSA-N 1 0 375.922 2.505 20 0 GFADRO CC[N@@H+]1CCCC[C@H]1C(=O)NCCc1ccc(I)s1 ZINC000104386123 551198621 /nfs/dbraw/zinc/19/86/21/551198621.db2.gz BTWCGHSKKOWMRW-LBPRGKRZSA-N 1 0 392.306 2.886 20 0 GFADRO O=C(c1ccccc1I)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000110317744 551203394 /nfs/dbraw/zinc/20/33/94/551203394.db2.gz JVEKORUJDXKYMZ-ZDUSSCGKSA-N 1 0 384.261 2.992 20 0 GFADRO CCC[NH+]1CCC(N(C)S(=O)(=O)c2ccc(C(=O)OC)cc2Cl)CC1 ZINC000110248269 551203827 /nfs/dbraw/zinc/20/38/27/551203827.db2.gz VCDVIGFRWVMRIW-UHFFFAOYSA-N 1 0 388.917 2.622 20 0 GFADRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)c1cc(=O)c2cc(Br)ccc2[nH]1 ZINC000112630845 551206712 /nfs/dbraw/zinc/20/67/12/551206712.db2.gz HFVDDOVMVXMTCD-NSHDSACASA-N 1 0 390.281 2.505 20 0 GFADRO CN(C)CC[NH+]1CCC(CNC(=O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000114142631 551209135 /nfs/dbraw/zinc/20/91/35/551209135.db2.gz WWLWYZQQKFZVEZ-UHFFFAOYSA-N 1 0 388.339 2.762 20 0 GFADRO O=C(c1cc(I)c[nH]1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000119138391 551215107 /nfs/dbraw/zinc/21/51/07/551215107.db2.gz CZODJVBWMURTIR-XHDPSFHLSA-N 1 0 399.276 2.708 20 0 GFADRO CC(C)[NH+]1CCC(C(=O)N(C)[C@H]2CS(=O)(=O)c3ccc(Cl)cc32)CC1 ZINC000119519615 551217143 /nfs/dbraw/zinc/21/71/43/551217143.db2.gz APCVENLQTUDYIA-INIZCTEOSA-N 1 0 384.929 2.747 20 0 GFADRO C[C@H](C[NH2+]Cc1nc(-c2cccc(Br)c2)c[nH]1)CN1CCOCC1 ZINC000120344279 551219627 /nfs/dbraw/zinc/21/96/27/551219627.db2.gz AXVVYJHVTLEDCN-CQSZACIVSA-N 1 0 393.329 2.897 20 0 GFADRO C[C@H](O)[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)N(C)Cc2ccc(Br)cc2)C1 ZINC000120750292 551221781 /nfs/dbraw/zinc/22/17/81/551221781.db2.gz YTGXQAPGJQLTRU-OFQRWUPVSA-N 1 0 383.330 2.889 20 0 GFADRO O=S1(=O)CCC(C[NH2+]Cc2cc(Cl)ccc2OC[C@@H]2CCCO2)CC1 ZINC000120789229 551222062 /nfs/dbraw/zinc/22/20/62/551222062.db2.gz LDDCCNPFZUOGHZ-KRWDZBQOSA-N 1 0 387.929 2.812 20 0 GFADRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)Nc1cccc(C)c1Br ZINC000121045948 551225556 /nfs/dbraw/zinc/22/55/56/551225556.db2.gz YGGMRHBQGITQSJ-CYBMUJFWSA-N 1 0 382.302 2.687 20 0 GFADRO CC[N@H+](C)C[C@H]1CCN(S(=O)(=O)Cc2ccc(Br)cc2)C1 ZINC000121099978 551227475 /nfs/dbraw/zinc/22/74/75/551227475.db2.gz LBXDXMKQYLFGAV-CQSZACIVSA-N 1 0 375.332 2.553 20 0 GFADRO CC(C)c1cc(Br)ccc1NC(=O)C(=O)NC1CC[NH+](C)CC1 ZINC000121275701 551231372 /nfs/dbraw/zinc/23/13/72/551231372.db2.gz DBAJGOZCTXXNKJ-UHFFFAOYSA-N 1 0 382.302 2.721 20 0 GFADRO CS(=O)(=O)NCCC[NH2+][C@H]1CCCc2nc(-c3ccc(F)cc3)sc21 ZINC000121272256 551231433 /nfs/dbraw/zinc/23/14/33/551231433.db2.gz NVGPKMNTHAMOQP-AWEZNQCLSA-N 1 0 383.514 2.856 20 0 GFADRO O=S(=O)(NCC[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCCC2)c1cccc(Cl)c1 ZINC000121504249 551235788 /nfs/dbraw/zinc/23/57/88/551235788.db2.gz QKIGFYUCFJQVKG-ZACQAIPSSA-N 1 0 384.929 2.556 20 0 GFADRO CCN1CC[NH+](C[C@H](C)CNC(=O)c2cc(F)cc(Br)c2)CC1 ZINC000122250049 551296099 /nfs/dbraw/zinc/29/60/99/551296099.db2.gz IABLRHCBFQYRMW-CYBMUJFWSA-N 1 0 386.309 2.592 20 0 GFADRO CN(CC[NH+]1CCCC1)C(=O)c1cc(I)c(F)cc1F ZINC000122411943 551297773 /nfs/dbraw/zinc/29/77/73/551297773.db2.gz ZEGHDCZCVPCCKT-UHFFFAOYSA-N 1 0 394.203 2.737 20 0 GFADRO CC[NH+]1CCC(CCNC(=O)c2cncc(I)c2)CC1 ZINC000124141263 551310731 /nfs/dbraw/zinc/31/07/31/551310731.db2.gz PKXHDRHXXWLKKX-UHFFFAOYSA-N 1 0 387.265 2.538 20 0 GFADRO Cc1cc(Br)cc(C(=O)NC[C@@H](C(C)C)[NH+]2CCN(C)CC2)c1 ZINC000124386815 551313755 /nfs/dbraw/zinc/31/37/55/551313755.db2.gz IHRCXMKGZKJWFJ-KRWDZBQOSA-N 1 0 382.346 2.759 20 0 GFADRO Cc1cc(Br)cc(C(=O)N2CCC(C[NH+]3CCOCC3)CC2)c1 ZINC000124372075 551314039 /nfs/dbraw/zinc/31/40/39/551314039.db2.gz XDOCEFVUXAFZIQ-UHFFFAOYSA-N 1 0 381.314 2.942 20 0 GFADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N(CC[NH+](C)C)C2CCCC2)c1 ZINC000124406472 551314400 /nfs/dbraw/zinc/31/44/00/551314400.db2.gz ZOIDEJOKGWIMEU-UHFFFAOYSA-N 1 0 388.917 2.622 20 0 GFADRO CCN1CC[NH+](CCCCNC(=O)c2ccc(OC)cc2Br)CC1 ZINC000124450458 551314658 /nfs/dbraw/zinc/31/46/58/551314658.db2.gz VXCIOXODRYJLCF-UHFFFAOYSA-N 1 0 398.345 2.605 20 0 GFADRO C[NH+](C)C1CCN(CCNC(=O)CCCc2ccccc2Br)CC1 ZINC000125234221 551321017 /nfs/dbraw/zinc/32/10/17/551321017.db2.gz CXNZCXHUKKWZBR-UHFFFAOYSA-N 1 0 396.373 2.914 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)C[N@@H+]1CCCC[C@@H]1[C@H]1CNC(=O)C1 ZINC000125671319 551322447 /nfs/dbraw/zinc/32/24/47/551322447.db2.gz CVRDTNSRDQREOH-CZUORRHYSA-N 1 0 394.313 2.687 20 0 GFADRO CC1(C)NC(=O)N(CC[N@@H+]2CC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)C1=O ZINC000126108549 551325973 /nfs/dbraw/zinc/32/59/73/551325973.db2.gz PNPRUGCEHGEVDH-GFCCVEGCSA-N 1 0 386.279 2.777 20 0 GFADRO C[C@@H](C[S@@](C)=O)[N@H+](C)CCCOc1cccc(I)c1 ZINC000126109026 551326482 /nfs/dbraw/zinc/32/64/82/551326482.db2.gz RMLFILRRMLIWOW-BUXKBTBVSA-N 1 0 395.306 2.759 20 0 GFADRO O=C(NC1CCN(Cc2ccc(Br)cc2)CC1)c1cnns1 ZINC000126861708 551333362 /nfs/dbraw/zinc/33/33/62/551333362.db2.gz STUAWRSDMSKIKZ-UHFFFAOYSA-N 1 0 381.299 2.695 20 0 GFADRO COc1ccc(Br)c(C[NH2+]CCC(=O)NCc2cccnc2)c1 ZINC000127331225 551340510 /nfs/dbraw/zinc/34/05/10/551340510.db2.gz AMHZKMKGZVLRJX-UHFFFAOYSA-N 1 0 378.270 2.649 20 0 GFADRO O=C(Cc1cccc(I)c1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000128271930 551348020 /nfs/dbraw/zinc/34/80/20/551348020.db2.gz MATGBYUYYDPFLV-HNNXBMFYSA-N 1 0 398.288 2.778 20 0 GFADRO Cc1cc(C(=O)N[C@@H]2CCCC[C@H]2[NH3+])nn1-c1ccc(Br)cc1 ZINC000128722430 551351449 /nfs/dbraw/zinc/35/14/49/551351449.db2.gz ZOLKBHGIGBESMT-HUUCEWRRSA-N 1 0 377.286 2.943 20 0 GFADRO C[C@@H]1C[N@@H+](C2CCN(C(=O)Cc3ccc(Br)c(F)c3)CC2)CCO1 ZINC000128767769 551352461 /nfs/dbraw/zinc/35/24/61/551352461.db2.gz KSRQQVVDHKRVMB-CYBMUJFWSA-N 1 0 399.304 2.842 20 0 GFADRO [NH3+][C@@H](CNS(=O)(=O)c1c(Cl)cc(Br)cc1Cl)C1CC1 ZINC000129285827 551355338 /nfs/dbraw/zinc/35/53/38/551355338.db2.gz UPBQAORUZPDVEM-JTQLQIEISA-N 1 0 388.114 2.772 20 0 GFADRO CC1(CNS(=O)(=O)c2ccc(Br)cc2Cl)CC[NH2+]CC1 ZINC000129256229 551355559 /nfs/dbraw/zinc/35/55/59/551355559.db2.gz BWWPOFILKPYZOF-UHFFFAOYSA-N 1 0 381.723 2.771 20 0 GFADRO CCS(=O)(=O)N(C)CCC[NH2+][C@H](C)c1ccc(Br)c(F)c1 ZINC000131149920 551373005 /nfs/dbraw/zinc/37/30/05/551373005.db2.gz BKEJYZOFFUYSPK-LLVKDONJSA-N 1 0 381.311 2.910 20 0 GFADRO C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)C1 ZINC000132814155 551379357 /nfs/dbraw/zinc/37/93/57/551379357.db2.gz NHYPCGIPOSODRO-CVEARBPZSA-N 1 0 384.307 2.808 20 0 GFADRO C[NH+](C)CCOc1ccc(CNC(=O)c2cccnc2Br)cc1 ZINC000135317344 551387249 /nfs/dbraw/zinc/38/72/49/551387249.db2.gz GTJCUFJTIBZJKV-UHFFFAOYSA-N 1 0 378.270 2.715 20 0 GFADRO COCC[NH+]1CCC(NC(=O)N[C@H](C)Cc2ccc(Br)cc2)CC1 ZINC000140398449 551393156 /nfs/dbraw/zinc/39/31/56/551393156.db2.gz MJGMOCZZTVNYSZ-CQSZACIVSA-N 1 0 398.345 2.790 20 0 GFADRO CN(C1CCN(Cc2ncc(-c3ccc(Cl)cc3)o2)CC1)S(C)(=O)=O ZINC000143427815 551395251 /nfs/dbraw/zinc/39/52/51/551395251.db2.gz JARSXMHOPJFZRU-UHFFFAOYSA-N 1 0 383.901 2.851 20 0 GFADRO Cc1cc(S(=O)(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)sc1Br ZINC000150054522 551400293 /nfs/dbraw/zinc/40/02/93/551400293.db2.gz DNUHCFDUVBAMPK-WDEREUQCSA-N 1 0 379.345 2.724 20 0 GFADRO Cn1nc(Br)c2c1ncnc2N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000150886366 551403289 /nfs/dbraw/zinc/40/32/89/551403289.db2.gz HBGNVLIBRLETEF-LBPRGKRZSA-N 1 0 379.306 2.581 20 0 GFADRO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@@H](C)[C@@H](C)N1CCOCC1 ZINC000150926464 551404200 /nfs/dbraw/zinc/40/42/00/551404200.db2.gz XCCCFFXYXKPYRP-QLFBSQMISA-N 1 0 398.345 2.865 20 0 GFADRO C[NH+](C)CC1CCC(NS(=O)(=O)c2cccc(Br)c2)CC1 ZINC000151753792 551420523 /nfs/dbraw/zinc/42/05/23/551420523.db2.gz PRXCEIZHJGRSAJ-UHFFFAOYSA-N 1 0 375.332 2.848 20 0 GFADRO C[C@H](C[NH3+])NC(=O)Nc1cc(I)ccc1Br ZINC000415113303 563759299 /nfs/dbraw/zinc/75/92/99/563759299.db2.gz BTDBARGYNDLBMY-ZCFIWIBFSA-N 1 0 398.042 2.522 20 0 GFADRO O=C(CC[N@@H+]1CCO[C@H]([C@@H]2CCCO2)C1)Nc1ccccc1Br ZINC000152312134 551430547 /nfs/dbraw/zinc/43/05/47/551430547.db2.gz VGOVAMBIVHMTNT-HOTGVXAUSA-N 1 0 383.286 2.658 20 0 GFADRO COCCN(CC[NH+](C)C)C(=O)N[C@H](C)Cc1ccccc1Br ZINC000152654921 551437260 /nfs/dbraw/zinc/43/72/60/551437260.db2.gz QTNWOOQRHFSOMW-CQSZACIVSA-N 1 0 386.334 2.600 20 0 GFADRO C[C@H](O)C[C@H]1CCC[N@@H+]1CC(=O)N(C)Cc1cc(Br)cs1 ZINC000152647232 551437594 /nfs/dbraw/zinc/43/75/94/551437594.db2.gz JLOLSQMMJJUCGY-WCQYABFASA-N 1 0 375.332 2.704 20 0 GFADRO O=C(NCCOc1cccc(Br)c1)c1cccn1C1CC[NH2+]CC1 ZINC000152795209 551439977 /nfs/dbraw/zinc/43/99/77/551439977.db2.gz QIUSIGHHBNASTA-UHFFFAOYSA-N 1 0 392.297 2.984 20 0 GFADRO C[C@H](Cn1cc(Br)cn1)[NH2+]C1CCN(CCc2ccncc2)CC1 ZINC000152851833 551441013 /nfs/dbraw/zinc/44/10/13/551441013.db2.gz WKWAIOYOJGQDMS-OAHLLOKOSA-N 1 0 392.345 2.726 20 0 GFADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2cc(F)c(Cl)cc2Cl)CC1 ZINC000152839866 551441063 /nfs/dbraw/zinc/44/10/63/551441063.db2.gz DRSGTYHATFMOCH-HNNXBMFYSA-N 1 0 388.270 2.511 20 0 GFADRO Cc1c2ccc(C(F)(F)F)nc2sc1C(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000152878936 551441677 /nfs/dbraw/zinc/44/16/77/551441677.db2.gz GWWPHQLDUDGQDR-OAHLLOKOSA-N 1 0 375.416 2.666 20 0 GFADRO C[C@@H](c1ccc(Br)cc1)N1CC[NH+](CC2(O)CCOCC2)CC1 ZINC000153052773 551445761 /nfs/dbraw/zinc/44/57/61/551445761.db2.gz SBKGKGGRRSGWIN-HNNXBMFYSA-N 1 0 383.330 2.669 20 0 GFADRO Cc1ccc(-n2nc(Br)cc2C(=O)N2CCC[N@@H+](C)CC2)cc1 ZINC000153216079 551448280 /nfs/dbraw/zinc/44/82/80/551448280.db2.gz QYTAVRRZINJSLE-UHFFFAOYSA-N 1 0 377.286 2.721 20 0 GFADRO CC[C@@H](C)[N@H+](C)CCNC(=O)c1ccc(OC)cc1I ZINC000153412779 551452244 /nfs/dbraw/zinc/45/22/44/551452244.db2.gz YFOWWTLGYNRBHG-LLVKDONJSA-N 1 0 390.265 2.760 20 0 GFADRO Cc1ccc(Br)c(NC(=O)C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000153634085 551457196 /nfs/dbraw/zinc/45/71/96/551457196.db2.gz VLXLGAAQLDILOU-AWEZNQCLSA-N 1 0 394.313 2.640 20 0 GFADRO C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)N(C)CC[NH+]1CCCC1 ZINC000153791008 551460409 /nfs/dbraw/zinc/46/04/09/551460409.db2.gz XAZGIKCOEFAALP-OAHLLOKOSA-N 1 0 382.346 2.824 20 0 GFADRO C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)N(C)CC[NH+]1CCCC1 ZINC000153790898 551460743 /nfs/dbraw/zinc/46/07/43/551460743.db2.gz XAZGIKCOEFAALP-HNNXBMFYSA-N 1 0 382.346 2.824 20 0 GFADRO O=C(Nc1ccc(Br)c(Cl)c1)C(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000153822507 551461109 /nfs/dbraw/zinc/46/11/09/551461109.db2.gz PPXGUOVOVQDMKZ-GFCCVEGCSA-N 1 0 398.688 2.514 20 0 GFADRO CS[C@H](CO)[C@@H](C)[NH2+][C@@H](C)CC(=O)Nc1ccc(Br)cc1 ZINC000154344142 551472833 /nfs/dbraw/zinc/47/28/33/551472833.db2.gz KDFFOZINAFAAHG-MISXGVKJSA-N 1 0 375.332 2.868 20 0 GFADRO O[C@H](C[NH2+]C1(c2ccc(Br)cc2)CCC1)COC1CCOCC1 ZINC000154569243 551477943 /nfs/dbraw/zinc/47/79/43/551477943.db2.gz XBEBXAPBFYHNNI-MRXNPFEDSA-N 1 0 384.314 2.974 20 0 GFADRO Cc1ccc(Br)c(NC(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c1 ZINC000154581353 551478335 /nfs/dbraw/zinc/47/83/35/551478335.db2.gz WXRYYLKEOCIZBP-CJNGLKHVSA-N 1 0 394.313 2.639 20 0 GFADRO CC[NH+]1CCN([C@@H](C)CNC(=O)[C@@H](C)Cc2ccc(Br)cc2)CC1 ZINC000154694763 551481024 /nfs/dbraw/zinc/48/10/24/551481024.db2.gz DVAFZXWUMDDQQB-HOTGVXAUSA-N 1 0 396.373 2.770 20 0 GFADRO Cc1ccc(C(=O)NCCCC[NH+]2C[C@@H](C)O[C@H](C)C2)c(Br)n1 ZINC000155461330 551500193 /nfs/dbraw/zinc/50/01/93/551500193.db2.gz ITLUSOKKALWFOK-ZIAGYGMSSA-N 1 0 384.318 2.772 20 0 GFADRO COc1ccc(Cl)cc1C1(CNC(=O)[C@@H]([NH3+])CCSC)CCOCC1 ZINC000155484459 551500910 /nfs/dbraw/zinc/50/09/10/551500910.db2.gz DAAYZGGUEPSYDJ-HNNXBMFYSA-N 1 0 386.945 2.593 20 0 GFADRO CC(C)CN(CC[NH+](C)C)C(=O)C(=O)Nc1cc(Br)ccc1F ZINC000155633416 551504814 /nfs/dbraw/zinc/50/48/14/551504814.db2.gz HAQKCHUGNBSQQT-UHFFFAOYSA-N 1 0 388.281 2.573 20 0 GFADRO Cc1cccc(S(=O)(=O)NCC[N@@H+](C)C2CCCC2)c1Br ZINC000155974865 551512114 /nfs/dbraw/zinc/51/21/14/551512114.db2.gz WDWHEFCMOKSPRP-UHFFFAOYSA-N 1 0 375.332 2.910 20 0 GFADRO Cc1ccc(C[NH2+]CCc2ccc(S(=O)(=O)N3CCCCC3)s2)cn1 ZINC000156083689 551514335 /nfs/dbraw/zinc/51/43/35/551514335.db2.gz GDELWHLSXVGRDK-UHFFFAOYSA-N 1 0 379.551 2.958 20 0 GFADRO C[NH+](C)CC(C)(C)CNC(=O)C(=O)Nc1ccc(Cl)cc1Br ZINC000156095471 551514762 /nfs/dbraw/zinc/51/47/62/551514762.db2.gz FDPPALMSZNEUMC-UHFFFAOYSA-N 1 0 390.709 2.745 20 0 GFADRO O=C(Cc1cccc(I)c1)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000156137094 551515463 /nfs/dbraw/zinc/51/54/63/551515463.db2.gz KCUZXMDFAXUEMC-HNNXBMFYSA-N 1 0 398.288 2.967 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)c2cnc(Sc3nccn3C)c(Cl)c2)C1 ZINC000156342689 551520721 /nfs/dbraw/zinc/52/07/21/551520721.db2.gz QIQTYNKWJLDUOX-NEPJUHHUSA-N 1 0 379.917 2.819 20 0 GFADRO O=C(Nc1ccc(Cl)cc1Br)C(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000156353923 551521240 /nfs/dbraw/zinc/52/12/40/551521240.db2.gz WQJOFVHSMLPDNK-GFCCVEGCSA-N 1 0 398.688 2.514 20 0 GFADRO CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]CCCN(C)CC(F)(F)F)cc1 ZINC000156390539 551521620 /nfs/dbraw/zinc/52/16/20/551521620.db2.gz WCQAHJGSHHNYGL-CYBMUJFWSA-N 1 0 381.464 2.983 20 0 GFADRO CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]CCCN(C)CC(F)(F)F)cc1 ZINC000156390668 551521707 /nfs/dbraw/zinc/52/17/07/551521707.db2.gz WCQAHJGSHHNYGL-ZDUSSCGKSA-N 1 0 381.464 2.983 20 0 GFADRO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[NH+]1CCC(n2cncn2)CC1 ZINC000156605037 551525538 /nfs/dbraw/zinc/52/55/38/551525538.db2.gz AWIMIBBBXACKJP-UHFFFAOYSA-N 1 0 382.295 2.880 20 0 GFADRO C[C@H](NS(=O)(=O)c1cc(F)ccc1Br)C(C)(C)C[NH+](C)C ZINC000156585690 551525741 /nfs/dbraw/zinc/52/57/41/551525741.db2.gz LJGWGUJETQIBDC-JTQLQIEISA-N 1 0 381.311 2.843 20 0 GFADRO CC(=O)N1CC[C@H](C[N@H+](C)C[C@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000156607729 551525700 /nfs/dbraw/zinc/52/57/00/551525700.db2.gz VQECOGMGTFSFIP-KGLIPLIRSA-N 1 0 375.296 2.533 20 0 GFADRO C[C@@H](NS(=O)(=O)c1cc(F)ccc1Br)C(C)(C)C[NH+](C)C ZINC000156585824 551525715 /nfs/dbraw/zinc/52/57/15/551525715.db2.gz LJGWGUJETQIBDC-SNVBAGLBSA-N 1 0 381.311 2.843 20 0 GFADRO Cc1ccc2ncc(C[NH2+]CCNC(=O)c3cccc(Br)c3)n2c1 ZINC000156785865 551528154 /nfs/dbraw/zinc/52/81/54/551528154.db2.gz JQCVGGCAGAAIOO-UHFFFAOYSA-N 1 0 387.281 2.925 20 0 GFADRO CSCC[C@@H]([NH3+])C(=O)NCc1cc(Br)ccc1OC(F)F ZINC000157453186 551538348 /nfs/dbraw/zinc/53/83/48/551538348.db2.gz OZRCHXZXYWYRIN-SNVBAGLBSA-N 1 0 383.258 2.747 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)Nc2cc(F)c(F)cc2I)CC[NH2+]1 ZINC000415243937 563763433 /nfs/dbraw/zinc/76/34/33/563763433.db2.gz WRZQPZKGSKENPH-SFYZADRCSA-N 1 0 395.191 2.831 20 0 GFADRO CC[NH+](CC)[C@H]1CCN(C(=O)c2ccc(F)c(I)c2)C1 ZINC000158104755 551546661 /nfs/dbraw/zinc/54/66/61/551546661.db2.gz OAFFDZLSSGJLJA-LBPRGKRZSA-N 1 0 390.240 2.987 20 0 GFADRO [NH3+][C@@H]1CCCN(C(=O)[C@H]2CCCN(C(=O)c3ccc(Cl)c(Cl)c3)C2)C1 ZINC000158426935 551551753 /nfs/dbraw/zinc/55/17/53/551551753.db2.gz HVVKTLCCACFKOL-UONOGXRCSA-N 1 0 384.307 2.795 20 0 GFADRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)Nc1ccc(F)cc1I ZINC000415249712 563763595 /nfs/dbraw/zinc/76/35/95/563763595.db2.gz KBMKKRDYCNRMFR-RKDXNWHRSA-N 1 0 377.201 2.631 20 0 GFADRO COC(=O)c1cc(Cl)ccc1S(=O)(=O)N(CC[NH+](C)C)C1CCCC1 ZINC000158965648 551559127 /nfs/dbraw/zinc/55/91/27/551559127.db2.gz JTZCAIIOMVNUGM-UHFFFAOYSA-N 1 0 388.917 2.622 20 0 GFADRO Cc1c(C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)cnn1-c1cccc(Br)c1 ZINC000159252443 551562672 /nfs/dbraw/zinc/56/26/72/551562672.db2.gz MEGHXPMLTVBBQQ-GOSISDBHSA-N 1 0 389.297 2.769 20 0 GFADRO O=C(NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1ccc(Br)s1 ZINC000159216805 551562677 /nfs/dbraw/zinc/56/26/77/551562677.db2.gz OQSOWUROCNJFIW-CQSZACIVSA-N 1 0 395.322 2.660 20 0 GFADRO CC(C)[C@@](C)(C[NH3+])NC(=O)Nc1ccc(F)cc1I ZINC000415255711 563764204 /nfs/dbraw/zinc/76/42/04/563764204.db2.gz VTBJICIZNWMCHW-CYBMUJFWSA-N 1 0 379.217 2.925 20 0 GFADRO C[N@H+](CCO)C1CCN(C(=O)N[C@H]2CCSc3ccc(Cl)cc32)CC1 ZINC000161532852 551595377 /nfs/dbraw/zinc/59/53/77/551595377.db2.gz VSBPNYROMPHGKX-INIZCTEOSA-N 1 0 383.945 2.975 20 0 GFADRO O=S(=O)(NCCCC[N@H+]1CCC[C@H]1CO)c1cc(Cl)ccc1Cl ZINC000161730433 551597678 /nfs/dbraw/zinc/59/76/78/551597678.db2.gz DICNMRKSAPAAKE-ZDUSSCGKSA-N 1 0 381.325 2.509 20 0 GFADRO CC[NH+]1CCN([C@H]2CCN(C(=O)[C@@H](C)c3ccc(Br)cc3)C2)CC1 ZINC000162183736 551604921 /nfs/dbraw/zinc/60/49/21/551604921.db2.gz LPULERVFQBKVEM-YJBOKZPZSA-N 1 0 394.357 2.791 20 0 GFADRO C[NH+](C)Cc1ccc(CN[C@@H](C(N)=O)c2cccc(Br)c2)cc1F ZINC000162321499 551606674 /nfs/dbraw/zinc/60/66/74/551606674.db2.gz USFFZGQXMUSJDS-QGZVFWFLSA-N 1 0 394.288 2.966 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CN(C(=O)C2(c3cccc(Br)c3)CCCC2)CCO1 ZINC000163062837 551615683 /nfs/dbraw/zinc/61/56/83/551615683.db2.gz JRZXNBUDGVHMAL-BBRMVZONSA-N 1 0 381.314 2.836 20 0 GFADRO CCC[N@H+](CC)CCNC(=O)N(C)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000163969458 551623088 /nfs/dbraw/zinc/62/30/88/551623088.db2.gz XGCXOLUMKPHTNO-OAHLLOKOSA-N 1 0 387.933 2.542 20 0 GFADRO CCOC(=O)[C@@H]1CSCCN1CCC(=O)Nc1cc(Cl)ccc1OC ZINC000164650410 551626479 /nfs/dbraw/zinc/62/64/79/551626479.db2.gz VNPJLEWFJWWHGY-AWEZNQCLSA-N 1 0 386.901 2.658 20 0 GFADRO [NH3+]C1(C(=O)N2CCN(c3ccc(Br)cc3C(F)(F)F)CC2)CC1 ZINC000167284234 551632808 /nfs/dbraw/zinc/63/28/08/551632808.db2.gz ZBCBBIPOBOEPBK-UHFFFAOYSA-N 1 0 392.219 2.608 20 0 GFADRO CC(C)[N@H+](C)CC(=O)Nc1cc(-c2ccc(Br)cc2)nn1CCO ZINC000170771564 551639013 /nfs/dbraw/zinc/63/90/13/551639013.db2.gz VLCLSAKGUPAHKV-UHFFFAOYSA-N 1 0 395.301 2.584 20 0 GFADRO CC[NH+]1CCC(n2nccc2NC(=O)c2ccc(Br)cn2)CC1 ZINC000170765473 551639198 /nfs/dbraw/zinc/63/91/98/551639198.db2.gz KWIXBJNWPCNOQR-UHFFFAOYSA-N 1 0 378.274 2.950 20 0 GFADRO O=C(CNC(=O)c1sc2ccccc2c1Cl)NCCC[NH+]1CCCC1 ZINC000171102998 551646657 /nfs/dbraw/zinc/64/66/57/551646657.db2.gz ZBQIMKCJTKEIJW-UHFFFAOYSA-N 1 0 379.913 2.887 20 0 GFADRO COCC[N@H+](C)CCNC(=O)NCCc1ccc(-c2csc(C)n2)s1 ZINC000171193305 551649279 /nfs/dbraw/zinc/64/92/79/551649279.db2.gz PKHNTOWIHHASQR-UHFFFAOYSA-N 1 0 382.555 2.600 20 0 GFADRO CC(C)(O)C[NH+]1CCN(Cc2coc(-c3ccc(Br)cc3)n2)CC1 ZINC000171201296 551649718 /nfs/dbraw/zinc/64/97/18/551649718.db2.gz ODPTUPKMANMRGR-UHFFFAOYSA-N 1 0 394.313 2.993 20 0 GFADRO Cc1c(Br)cccc1NC(=O)C(=O)NCC[N@H+]1CCC[C@@H](C)C1 ZINC000171224841 551650278 /nfs/dbraw/zinc/65/02/78/551650278.db2.gz XCJIQPYXWOFUQH-GFCCVEGCSA-N 1 0 382.302 2.544 20 0 GFADRO CC[N@@H+]1CC[C@@H](CNC(=O)[C@@]23CCC(=O)N2c2cc(Cl)ccc2S3)C1 ZINC000171317631 551652520 /nfs/dbraw/zinc/65/25/20/551652520.db2.gz NXFMLLPDNQRTIV-SGTLLEGYSA-N 1 0 379.913 2.727 20 0 GFADRO COC(=O)[C@H](C)C[N@H+](CC(=O)N[C@@H](C)c1ccc(Br)cc1)C1CC1 ZINC000171302547 551652615 /nfs/dbraw/zinc/65/26/15/551652615.db2.gz FNGALAAXRULUIH-OLZOCXBDSA-N 1 0 397.313 2.900 20 0 GFADRO O=C1OCCN1CCC[NH2+]Cc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000171841368 551665050 /nfs/dbraw/zinc/66/50/50/551665050.db2.gz GMTVSXYZIPYMNI-UHFFFAOYSA-N 1 0 379.258 2.771 20 0 GFADRO COc1cc(C[NH2+]C[C@](C)(O)C(C)C)cc(I)c1OC ZINC000171842029 551665237 /nfs/dbraw/zinc/66/52/37/551665237.db2.gz OMTQSBOEKYWJOE-HNNXBMFYSA-N 1 0 393.265 2.805 20 0 GFADRO C[C@@H](NC(=O)NCC1CC[NH+](CCO)CC1)c1ccc(Br)cc1 ZINC000171897921 551666159 /nfs/dbraw/zinc/66/61/59/551666159.db2.gz MIDSHRWFKRDIEJ-CYBMUJFWSA-N 1 0 384.318 2.514 20 0 GFADRO CC[NH+](CC)CCN(C(=O)[C@H](C)n1cncn1)c1cccc(Br)c1 ZINC000171929104 551666641 /nfs/dbraw/zinc/66/66/41/551666641.db2.gz LIESRWPDEXETAK-AWEZNQCLSA-N 1 0 394.317 2.977 20 0 GFADRO CN(C)c1ncc(Br)cc1C(=O)NCc1ccccc1C[NH+](C)C ZINC000172011582 551668875 /nfs/dbraw/zinc/66/88/75/551668875.db2.gz AFSRANCLRPUZAU-UHFFFAOYSA-N 1 0 391.313 2.902 20 0 GFADRO C[NH+](C)C1CCN(c2ncnc3ccc(I)cc32)CC1 ZINC000172380425 551677844 /nfs/dbraw/zinc/67/78/44/551677844.db2.gz QFIBJURKQYKHDE-UHFFFAOYSA-N 1 0 382.249 2.765 20 0 GFADRO O=C(CN1CC[NH+](CC2CCOCC2)CC1)Nc1ccc(Cl)c(Cl)c1 ZINC000172423124 551679012 /nfs/dbraw/zinc/67/90/12/551679012.db2.gz DFKFJEZLKQHACW-UHFFFAOYSA-N 1 0 386.323 2.976 20 0 GFADRO O=C(c1cc(F)c(Cl)nc1Cl)N1CC[NH+](CC2CCOCC2)CC1 ZINC000172464148 551679942 /nfs/dbraw/zinc/67/99/42/551679942.db2.gz DXJHQTWJOKPCON-UHFFFAOYSA-N 1 0 376.259 2.712 20 0 GFADRO O=C(COc1ccc(Cl)cc1Cl)N1CC[NH+](CC2CCOCC2)CC1 ZINC000172462368 551680020 /nfs/dbraw/zinc/68/00/20/551680020.db2.gz WALRSURLJWXIBI-UHFFFAOYSA-N 1 0 387.307 2.943 20 0 GFADRO CSc1ccc(Cl)cc1NC(=O)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000172532935 551681175 /nfs/dbraw/zinc/68/11/75/551681175.db2.gz ZZPDQBGJODHPSV-ZDUSSCGKSA-N 1 0 381.929 2.945 20 0 GFADRO C[N@H+](CCNC(=O)Nc1ccc(NS(C)(=O)=O)c(Cl)c1)C1CCCC1 ZINC000172580718 551682317 /nfs/dbraw/zinc/68/23/17/551682317.db2.gz PTJVNZMRTIQKII-UHFFFAOYSA-N 1 0 388.921 2.707 20 0 GFADRO C[C@@H](NC(=O)[C@@H](C)c1ccc(Br)s1)[C@@H](C)N1CCOCC1 ZINC000173084016 551694932 /nfs/dbraw/zinc/69/49/32/551694932.db2.gz DSAZKGUBSZCUEJ-QJPTWQEYSA-N 1 0 375.332 2.840 20 0 GFADRO CC[NH+](CC)Cc1cccc(CNC(=O)c2c[nH]c(=O)c(Br)c2)c1 ZINC000173132178 552078684 /nfs/dbraw/zinc/07/86/84/552078684.db2.gz ONRBOVBKPPZJID-UHFFFAOYSA-N 1 0 392.297 2.909 20 0 GFADRO [NH3+][C@@H]1CCC[C@H](CNC(=O)C(=O)Nc2cccc(Br)c2Cl)C1 ZINC000415811730 563797785 /nfs/dbraw/zinc/79/77/85/563797785.db2.gz PCLZJTACZCWKDD-VHSXEESVSA-N 1 0 388.693 2.675 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2ccc(F)c(Br)c2)[C@H](C)C1 ZINC000173204067 552079771 /nfs/dbraw/zinc/07/97/71/552079771.db2.gz KSNQATMVPAUPSS-IAQYHMDHSA-N 1 0 393.322 2.939 20 0 GFADRO C[C@@H]([NH2+]C[C@@H](O)c1ccc(Cl)cc1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000173304108 552082038 /nfs/dbraw/zinc/08/20/38/552082038.db2.gz IEDXRRSKLKIOOM-FZKQIMNGSA-N 1 0 382.913 2.975 20 0 GFADRO CC1CC[NH+](C[C@H]2CCCN(C(=O)c3c[nH]c(=O)c(Br)c3)C2)CC1 ZINC000173357053 552083972 /nfs/dbraw/zinc/08/39/72/552083972.db2.gz DZAMUDKKJNBRAI-CQSZACIVSA-N 1 0 396.329 2.722 20 0 GFADRO CC1CC[NH+](C[C@@H]2CCCN(Cc3csc(CS(C)(=O)=O)n3)C2)CC1 ZINC000173593596 552088830 /nfs/dbraw/zinc/08/88/30/552088830.db2.gz MLIKZSYMQDZYGT-INIZCTEOSA-N 1 0 385.599 2.632 20 0 GFADRO CN(CC[C@@H]1CCCC[N@@H+]1C)S(=O)(=O)c1cc2c(cc1Cl)OCCO2 ZINC000173671725 552090751 /nfs/dbraw/zinc/09/07/51/552090751.db2.gz ZYZPJESQBPGBKC-ZDUSSCGKSA-N 1 0 388.917 2.606 20 0 GFADRO CCC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2cc(Br)ccc2F)C1 ZINC000173953196 552095675 /nfs/dbraw/zinc/09/56/75/552095675.db2.gz GIWZQNQJSRUQEE-LBPRGKRZSA-N 1 0 393.322 2.941 20 0 GFADRO O=C(NCCCC[N@H+]1CCC[C@H]1CO)Nc1ccc(Br)c(F)c1 ZINC000173974936 552096392 /nfs/dbraw/zinc/09/63/92/552096392.db2.gz QANHNDMCCDBJLE-ZDUSSCGKSA-N 1 0 388.281 2.947 20 0 GFADRO C[C@@H](Oc1cc(Cl)cc(Cl)c1)C(=O)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000174177493 552101343 /nfs/dbraw/zinc/10/13/43/552101343.db2.gz PTTSONAUCRJBNT-ZIAGYGMSSA-N 1 0 387.307 2.941 20 0 GFADRO C[C@@H](Oc1ccc(Cl)c(Cl)c1)C(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000174185862 552101696 /nfs/dbraw/zinc/10/16/96/552101696.db2.gz DRPOZPRPQSTITR-KGLIPLIRSA-N 1 0 387.307 2.941 20 0 GFADRO O=C(NCCc1ccc(F)c(Br)c1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000174182831 552101780 /nfs/dbraw/zinc/10/17/80/552101780.db2.gz YNOCIQAALKAXNH-CQSZACIVSA-N 1 0 382.277 2.786 20 0 GFADRO C[C@H]1C[C@H](N(C)C(=O)NCCOc2cccc(Br)c2)CC[N@@H+]1C ZINC000174220566 552102547 /nfs/dbraw/zinc/10/25/47/552102547.db2.gz CKFBKBXCBUMADB-DZGCQCFKSA-N 1 0 384.318 2.952 20 0 GFADRO CC(C)C[C@@H](CNC(=O)c1ccc(CS(=O)(=O)C(F)F)cc1)[NH+](C)C ZINC000175211330 552117260 /nfs/dbraw/zinc/11/72/60/552117260.db2.gz WVWTVUJEXHMJMZ-HNNXBMFYSA-N 1 0 376.469 2.530 20 0 GFADRO C[C@@H](C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1)c1ccc(Cl)s1 ZINC000175231445 552118461 /nfs/dbraw/zinc/11/84/61/552118461.db2.gz SGXNNHQSVBZJPK-CYBMUJFWSA-N 1 0 378.929 2.968 20 0 GFADRO O=C(Nc1cc(Br)ccc1F)N1CC[NH+](C2CCOCC2)CC1 ZINC000175702873 552127248 /nfs/dbraw/zinc/12/72/48/552127248.db2.gz OJIOFKDFQCXNKQ-UHFFFAOYSA-N 1 0 386.265 2.917 20 0 GFADRO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)c1cc(=O)[nH]c2c(Br)cccc12 ZINC000175733531 552127736 /nfs/dbraw/zinc/12/77/36/552127736.db2.gz BHCLARFUPFEDOH-LLVKDONJSA-N 1 0 390.281 2.505 20 0 GFADRO COC[C@](C)(CCO)[NH2+]Cc1cc(Br)c(OC(F)F)c(OC)c1 ZINC000175854905 552130122 /nfs/dbraw/zinc/13/01/22/552130122.db2.gz CIZBVDVVSNYWGJ-HNNXBMFYSA-N 1 0 398.244 2.936 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)NCC(=O)Nc2ccc(Br)cc2)C1 ZINC000175906991 552131945 /nfs/dbraw/zinc/13/19/45/552131945.db2.gz JGMSRZJZOFTBHE-HUUCEWRRSA-N 1 0 397.317 2.560 20 0 GFADRO O=C(NCCc1c(Cl)cccc1Cl)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000175961756 552133433 /nfs/dbraw/zinc/13/34/33/552133433.db2.gz YQGFDOWQKDOTOQ-AWEZNQCLSA-N 1 0 386.323 2.900 20 0 GFADRO C[NH+]1CCC(CCNC(=O)c2cc(=O)[nH]c3c(Br)cccc23)CC1 ZINC000175995814 552133934 /nfs/dbraw/zinc/13/39/34/552133934.db2.gz OSKOURMLSWXSGQ-UHFFFAOYSA-N 1 0 392.297 2.752 20 0 GFADRO CCC[N@H+](C)C[C@H]1CCN(C[C@H](O)COc2ccc(Br)cc2)C1 ZINC000176284736 552137511 /nfs/dbraw/zinc/13/75/11/552137511.db2.gz QSIYXVSDEJQCRO-WBVHZDCISA-N 1 0 385.346 2.853 20 0 GFADRO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)c2c(F)cccc2Br)CC1 ZINC000176546985 552141358 /nfs/dbraw/zinc/14/13/58/552141358.db2.gz NMJVVISULUQERP-CQSZACIVSA-N 1 0 398.320 2.830 20 0 GFADRO C[C@@H]1C[NH+](CCCCNC(=O)Cc2ccccc2Br)C[C@@H](C)O1 ZINC000176686146 552144240 /nfs/dbraw/zinc/14/42/40/552144240.db2.gz GUQVNOWUGOZXJI-HUUCEWRRSA-N 1 0 383.330 2.997 20 0 GFADRO CCO[C@@H](CC[NH+](C)C)CNC(=O)[C@@H](C)Oc1ccc(Br)cc1 ZINC000176857022 552147270 /nfs/dbraw/zinc/14/72/70/552147270.db2.gz SDEHMZVCWLVUQF-CJNGLKHVSA-N 1 0 387.318 2.689 20 0 GFADRO O=C(Nc1cc(Br)ccc1F)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000176996692 552149062 /nfs/dbraw/zinc/14/90/62/552149062.db2.gz LZJYTYZSZHJCMJ-LBPRGKRZSA-N 1 0 386.265 2.774 20 0 GFADRO O=C(NCCC[NH+]1CCC(O)CC1)c1ccc(Cl)cc1Br ZINC000177691606 552157278 /nfs/dbraw/zinc/15/72/78/552157278.db2.gz FSXMWSCGSLWEEO-UHFFFAOYSA-N 1 0 375.694 2.679 20 0 GFADRO CCC[NH+]1CCC(CNC(=O)N[C@@H](CO)c2cccc(Br)c2)CC1 ZINC000178041817 552163307 /nfs/dbraw/zinc/16/33/07/552163307.db2.gz SIABILZJBWBZJJ-KRWDZBQOSA-N 1 0 398.345 2.904 20 0 GFADRO C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000178071564 552163655 /nfs/dbraw/zinc/16/36/55/552163655.db2.gz OONGOWUWGLHAET-KBPBESRZSA-N 1 0 387.307 2.941 20 0 GFADRO C[C@H]([NH2+]CC1CCN(S(=O)(=O)C(F)(F)F)CC1)c1cccnc1Cl ZINC000178107577 552164337 /nfs/dbraw/zinc/16/43/37/552164337.db2.gz XKWBFSSMEMZRID-JTQLQIEISA-N 1 0 385.839 2.947 20 0 GFADRO O=C([C@@H]1C[C@@H]1c1cccc(Br)c1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000178124412 552164559 /nfs/dbraw/zinc/16/45/59/552164559.db2.gz MYTOYQRAOIUBQO-BMGDILEWSA-N 1 0 393.325 2.733 20 0 GFADRO Cc1nn(C)cc1[C@@H](C)[NH2+]CCCNC(=O)c1cccc(Br)c1 ZINC000178359381 552169449 /nfs/dbraw/zinc/16/94/49/552169449.db2.gz PQRWADMQBDHWDI-GFCCVEGCSA-N 1 0 379.302 2.962 20 0 GFADRO COc1ccc(Br)c(CC(=O)NC2CC[NH+](CC3CC3)CC2)c1 ZINC000178444064 552170225 /nfs/dbraw/zinc/17/02/25/552170225.db2.gz VBGVJQLUJRNJJD-UHFFFAOYSA-N 1 0 381.314 2.991 20 0 GFADRO [NH3+]Cc1ccc(C(=O)NC[C@H]2CCN(c3ccc(Br)cc3)C2)o1 ZINC000178724000 552174130 /nfs/dbraw/zinc/17/41/30/552174130.db2.gz OIJIYENWGKBPRY-GFCCVEGCSA-N 1 0 378.270 2.757 20 0 GFADRO O=C(c1c[nH]c(=O)c(Br)c1)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000178882123 552178052 /nfs/dbraw/zinc/17/80/52/552178052.db2.gz NEMUMHFYNUMXNV-UHFFFAOYSA-N 1 0 396.329 2.866 20 0 GFADRO O=C(Cc1cc(Br)ccc1F)N1CC[NH+](CC2CCOCC2)CC1 ZINC000178925824 552179559 /nfs/dbraw/zinc/17/95/59/552179559.db2.gz JDKIARKEIYOKPM-UHFFFAOYSA-N 1 0 399.304 2.702 20 0 GFADRO C[NH2+]C[C@H]1CCN(C(=O)c2ccc(I)c(Cl)c2)C1 ZINC000179019524 552182279 /nfs/dbraw/zinc/18/22/79/552182279.db2.gz DHAMEJGOCDUIMT-SECBINFHSA-N 1 0 378.641 2.626 20 0 GFADRO Brc1cc(CN2CCC(Cn3ccnn3)CC2)cc2c1OCO2 ZINC000179029326 552182323 /nfs/dbraw/zinc/18/23/23/552182323.db2.gz WXANYYKAZPBIBP-UHFFFAOYSA-N 1 0 379.258 2.682 20 0 GFADRO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)C[NH2+]C1(CO)CCCC1 ZINC000179063380 552183215 /nfs/dbraw/zinc/18/32/15/552183215.db2.gz QBULHCUXOYZHOO-UHFFFAOYSA-N 1 0 375.252 2.613 20 0 GFADRO NC(=O)[C@H](NCc1ccc2c(c1)OCCO2)c1cccc(Br)c1 ZINC000179214637 552187499 /nfs/dbraw/zinc/18/74/99/552187499.db2.gz QROMUMRGPAERTB-MRXNPFEDSA-N 1 0 377.238 2.537 20 0 GFADRO CSc1ncc(Cl)c(C(=O)N(CC[NH+](C)C)Cc2cccc(O)c2)n1 ZINC000179416402 552192808 /nfs/dbraw/zinc/19/28/08/552192808.db2.gz HEWLXXAFEBPLGR-UHFFFAOYSA-N 1 0 380.901 2.762 20 0 GFADRO O=C(C1CC[NH+](C[C@@H](O)c2ccc(Cl)cc2Cl)CC1)N1CCOCC1 ZINC000179466604 552193988 /nfs/dbraw/zinc/19/39/88/552193988.db2.gz CKNYAGGWHGUEJN-QGZVFWFLSA-N 1 0 387.307 2.598 20 0 GFADRO Cc1nc(Br)ccc1NC(=O)C(=O)NCCCCCCC[NH+](C)C ZINC000179579041 552197089 /nfs/dbraw/zinc/19/70/89/552197089.db2.gz FWUMFQAXKJUTRQ-UHFFFAOYSA-N 1 0 399.333 2.719 20 0 GFADRO CC(C)n1cc(Br)cc1C(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000179757984 552202091 /nfs/dbraw/zinc/20/20/91/552202091.db2.gz UVTGBKMJIMDJET-UHFFFAOYSA-N 1 0 386.334 2.750 20 0 GFADRO C[N@H+](CCCO)C1CCN(C(=O)/C=C/c2cc(Br)ccc2F)CC1 ZINC000179765628 552202665 /nfs/dbraw/zinc/20/26/65/552202665.db2.gz SRMOETGNQDJJKD-ZZXKWVIFSA-N 1 0 399.304 2.907 20 0 GFADRO C[C@@H](C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccc(Br)cc1 ZINC000179878194 552205953 /nfs/dbraw/zinc/20/59/53/552205953.db2.gz JTVHGTGCJHAXBH-CABCVRRESA-N 1 0 381.314 2.733 20 0 GFADRO COc1nc(NCC2CCN(c3cc[nH+]cc3)CC2)ncc1Br ZINC000180044827 552210975 /nfs/dbraw/zinc/21/09/75/552210975.db2.gz FRTIUIQZACOJBW-UHFFFAOYSA-N 1 0 378.274 2.971 20 0 GFADRO CCO[C@@H](CC[NH+](C)C)CNC(=O)C[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000180139519 552214545 /nfs/dbraw/zinc/21/45/45/552214545.db2.gz CIPZRYVWVRJVLB-HOTGVXAUSA-N 1 0 377.312 2.890 20 0 GFADRO Cc1cccc(S(=O)(=O)N2CCC(OCC[NH+]3CCCC3)CC2)c1Cl ZINC000180368183 552224418 /nfs/dbraw/zinc/22/44/18/552224418.db2.gz DPMVLEBFMYWVQV-UHFFFAOYSA-N 1 0 386.945 2.914 20 0 GFADRO COc1ccc(Br)c(C(=O)NCCC[NH2+][C@H](C)c2c[nH]nc2C)c1 ZINC000180510648 552228362 /nfs/dbraw/zinc/22/83/62/552228362.db2.gz PAELBRPYDGEWSA-LLVKDONJSA-N 1 0 395.301 2.960 20 0 GFADRO Cn1ncc2c1CCC[C@H]2[NH2+]CCNC(=O)c1cccc(Br)c1 ZINC000180833862 552237183 /nfs/dbraw/zinc/23/71/83/552237183.db2.gz FXPKBMQAMZDVQU-OAHLLOKOSA-N 1 0 377.286 2.580 20 0 GFADRO CCS(=O)(=O)C[C@H](C)[NH2+][C@H](C)c1ccc(I)cc1 ZINC000180826339 552237354 /nfs/dbraw/zinc/23/73/54/552237354.db2.gz VRRUKATZWGZPGV-WDEREUQCSA-N 1 0 381.279 2.765 20 0 GFADRO C[C@H]([NH2+]CC(=O)Nc1ccc(I)cc1)c1ccncc1 ZINC000181061155 552244905 /nfs/dbraw/zinc/24/49/05/552244905.db2.gz KVFCZPXJYPIKMW-NSHDSACASA-N 1 0 381.217 2.976 20 0 GFADRO CC(=O)N1CC[C@@H](C[N@@H+](C)[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C1 ZINC000181191674 552249810 /nfs/dbraw/zinc/24/98/10/552249810.db2.gz GHBVDVHDEMNAGU-SUMWQHHRSA-N 1 0 384.307 2.899 20 0 GFADRO CCS(=O)(=O)N(C)CCC[NH2+][C@H](C)c1ccc(OC)cc1Br ZINC000181507835 552258719 /nfs/dbraw/zinc/25/87/19/552258719.db2.gz MAQYEXNIVXYIAS-GFCCVEGCSA-N 1 0 393.347 2.780 20 0 GFADRO COC[C@@H](Cc1ccccc1)[NH2+]CCNS(=O)(=O)c1ccc(Cl)s1 ZINC000181618835 552262387 /nfs/dbraw/zinc/26/23/87/552262387.db2.gz SXKCGZRUWJCCSW-CQSZACIVSA-N 1 0 388.942 2.527 20 0 GFADRO C[C@H](CCSc1ccccc1)[NH+]1CCC(N2CCS(=O)(=O)CC2)CC1 ZINC000181738321 552266425 /nfs/dbraw/zinc/26/64/25/552266425.db2.gz LVYHCGZFVSNEBK-QGZVFWFLSA-N 1 0 382.595 2.752 20 0 GFADRO CCc1sc(C(=O)N2CCC([N@H+](C)CCCO)CC2)cc1Br ZINC000293303689 563807098 /nfs/dbraw/zinc/80/70/98/563807098.db2.gz DRHKBZALFHDAFY-UHFFFAOYSA-N 1 0 389.359 2.992 20 0 GFADRO O[C@@H](C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)COc1ccccc1Br ZINC000182022808 552273230 /nfs/dbraw/zinc/27/32/30/552273230.db2.gz CENJCCMACWOBBZ-CLROSIBMSA-N 1 0 382.298 2.736 20 0 GFADRO COc1cc(Br)ccc1CN1CCN(CC[NH+]2CCCC2)CC1 ZINC000182058609 552274056 /nfs/dbraw/zinc/27/40/56/552274056.db2.gz RVNDCAJSPJKQTJ-UHFFFAOYSA-N 1 0 382.346 2.671 20 0 GFADRO C[C@@H](CCNC(=O)CNC(=O)c1cccc(Br)c1)[NH+]1CCCCC1 ZINC000182226041 552279049 /nfs/dbraw/zinc/27/90/49/552279049.db2.gz AOXLCWFBOFDDIJ-AWEZNQCLSA-N 1 0 396.329 2.560 20 0 GFADRO O=C(CCc1cc(F)ccc1Br)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000182472242 552284721 /nfs/dbraw/zinc/28/47/21/552284721.db2.gz NEBPQQGFUVUPRQ-AWEZNQCLSA-N 1 0 399.304 2.702 20 0 GFADRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)NCCOc2ccc(Br)cc2)C1 ZINC000182505781 552285871 /nfs/dbraw/zinc/28/58/71/552285871.db2.gz YTAGIDWYBBRTFA-PBHICJAKSA-N 1 0 396.329 2.954 20 0 GFADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)Nc1cc(F)c(Br)c(F)c1 ZINC000182541720 552287202 /nfs/dbraw/zinc/28/72/02/552287202.db2.gz QUEAGZSKSBNSAD-LLVKDONJSA-N 1 0 392.244 2.960 20 0 GFADRO COC(=O)c1cc(NC(=O)NCC[NH+]2CCCCC2)ccc1Br ZINC000182629814 552289646 /nfs/dbraw/zinc/28/96/46/552289646.db2.gz UQHMTDJMBWLAAR-UHFFFAOYSA-N 1 0 384.274 2.843 20 0 GFADRO Cc1cc(NC(=O)C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cnc1Br ZINC000182661645 552290317 /nfs/dbraw/zinc/29/03/17/552290317.db2.gz LVZHFIBXHNRDEB-UHFFFAOYSA-N 1 0 397.317 2.516 20 0 GFADRO CC[C@H](C)[C@@H](NC(=O)C[NH2+][C@@H](C)c1ccc(Br)cc1)C(=O)OC ZINC000182728599 552291116 /nfs/dbraw/zinc/29/11/16/552291116.db2.gz UWJIWAAAQVAPQH-MQIPJXDCSA-N 1 0 385.302 2.804 20 0 GFADRO Cc1cc([C@H](C)[NH2+]CC(=O)Nc2cc(S(N)(=O)=O)ccc2C)c(C)s1 ZINC000182749175 552292311 /nfs/dbraw/zinc/29/23/11/552292311.db2.gz USFWWUNEEBPIJC-LBPRGKRZSA-N 1 0 381.523 2.610 20 0 GFADRO Cn1ccnc1[C@H]([NH2+]C[C@@H](O)COc1ccccc1Br)C1CC1 ZINC000183342863 552306489 /nfs/dbraw/zinc/30/64/89/552306489.db2.gz FROPOBMDWBQIDH-CZUORRHYSA-N 1 0 380.286 2.663 20 0 GFADRO Cc1n[nH]c(C)c1S(=O)(=O)N1CCC([NH2+]Cc2ccc(Cl)s2)CC1 ZINC000183719965 552317591 /nfs/dbraw/zinc/31/75/91/552317591.db2.gz WSMLZVGWQAONKP-UHFFFAOYSA-N 1 0 388.946 2.684 20 0 GFADRO CC[N@H+](CCO)CCNC(=O)c1cc(C(F)(F)F)ccc1Br ZINC000183994473 552325031 /nfs/dbraw/zinc/32/50/31/552325031.db2.gz WXRXASCCNOOTKV-UHFFFAOYSA-N 1 0 383.208 2.512 20 0 GFADRO COc1cc(C[NH2+]CCOC(C)C)cc(I)c1OC ZINC000184155534 552328545 /nfs/dbraw/zinc/32/85/45/552328545.db2.gz GNIDJKOLULEVOX-UHFFFAOYSA-N 1 0 379.238 2.823 20 0 GFADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)CCc1cccc(Br)c1 ZINC000184325046 552332927 /nfs/dbraw/zinc/33/29/27/552332927.db2.gz XFMMZBWFKWKVMA-OAHLLOKOSA-N 1 0 382.346 2.524 20 0 GFADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)c1cc(Cl)cc(Br)c1 ZINC000184381739 552334045 /nfs/dbraw/zinc/33/40/45/552334045.db2.gz KABFLKZCRPQZEH-GFCCVEGCSA-N 1 0 388.737 2.858 20 0 GFADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)[C@@H](C)c1ccc(Br)cc1 ZINC000184395770 552334908 /nfs/dbraw/zinc/33/49/08/552334908.db2.gz YTYBDOMERSJLIU-CABCVRRESA-N 1 0 382.346 2.695 20 0 GFADRO NC(=O)[C@@H]1CCCC[C@@H]1[NH2+]Cc1nnc(-c2ccccc2Br)o1 ZINC000184835629 552345428 /nfs/dbraw/zinc/34/54/28/552345428.db2.gz PWYZPUXVUKBSPC-YPMHNXCESA-N 1 0 379.258 2.633 20 0 GFADRO CCOC(=O)C[C@@H](NC(=O)C1CC[NH+](C)CC1)c1cccc(Br)c1 ZINC000184854381 552345817 /nfs/dbraw/zinc/34/58/17/552345817.db2.gz DUNAYOVREVCWQO-MRXNPFEDSA-N 1 0 397.313 2.901 20 0 GFADRO [NH3+][C@H]1CC[C@@H]2CN(C(=O)c3ccc(I)cc3Cl)C[C@@H]12 ZINC000185097844 552354079 /nfs/dbraw/zinc/35/40/79/552354079.db2.gz MVLQWRRVQBACSS-DYLAAIIWSA-N 1 0 390.652 2.754 20 0 GFADRO CS(=O)(=O)CCCCC[NH2+]Cc1cc(Br)cc2c1OCC2 ZINC000185218912 552357458 /nfs/dbraw/zinc/35/74/58/552357458.db2.gz VNZLTNBLXWBGFZ-UHFFFAOYSA-N 1 0 376.316 2.689 20 0 GFADRO CC[N@H+](CCO)CCNC(=O)Nc1ccc(Br)c(C(F)(F)F)c1 ZINC000185350739 552361610 /nfs/dbraw/zinc/36/16/10/552361610.db2.gz HBRRACYCVKZXSE-UHFFFAOYSA-N 1 0 398.223 2.904 20 0 GFADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)NCCc1c(Cl)cccc1Cl ZINC000185607635 552366801 /nfs/dbraw/zinc/36/68/01/552366801.db2.gz JZMMWQMZTQDAPR-AWEZNQCLSA-N 1 0 387.355 2.861 20 0 GFADRO CC[C@H](Cc1ccccc1Br)[N@H+](C)CC(=O)NC[C@@H]1CCCO1 ZINC000185930655 552374571 /nfs/dbraw/zinc/37/45/71/552374571.db2.gz ZFSMMPLSGYEECU-CVEARBPZSA-N 1 0 383.330 2.997 20 0 GFADRO COc1ccsc1S(=O)(=O)NC[C@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000186067242 552378329 /nfs/dbraw/zinc/37/83/29/552378329.db2.gz CUUMIQJFCJBJNP-MRXNPFEDSA-N 1 0 380.535 2.946 20 0 GFADRO Cc1c(C(=O)NCC2=CC[NH2+]CC2)cnn1-c1ccc(Br)cc1 ZINC000186362023 552386096 /nfs/dbraw/zinc/38/60/96/552386096.db2.gz ZRKVVZKIRYALNW-UHFFFAOYSA-N 1 0 375.270 2.593 20 0 GFADRO CCO[C@@H]1C[C@](CO)([NH2+]Cc2cnc3ccc(Br)cn23)C1(C)C ZINC000186580753 552391503 /nfs/dbraw/zinc/39/15/03/552391503.db2.gz XREIHWQMYOGNQM-RHSMWYFYSA-N 1 0 382.302 2.753 20 0 GFADRO Cn1ccnc1[C@@](O)(CC[NH2+]Cc1cncc(Br)c1)C(F)(F)F ZINC000186602745 552391988 /nfs/dbraw/zinc/39/19/88/552391988.db2.gz IQEHEVOVFDQQMA-ZDUSSCGKSA-N 1 0 393.207 2.507 20 0 GFADRO COc1cc(Br)ccc1CCCNC(=O)N(C)CCC[NH+](C)C ZINC000186775621 552397795 /nfs/dbraw/zinc/39/77/95/552397795.db2.gz SHCXSBDMLJBXSI-UHFFFAOYSA-N 1 0 386.334 2.983 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000186919899 552401186 /nfs/dbraw/zinc/40/11/86/552401186.db2.gz XAUBBNHCTOZEMK-JCURWCKSSA-N 1 0 389.297 2.753 20 0 GFADRO COc1cc(Br)ccc1CNC(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000187109770 552406288 /nfs/dbraw/zinc/40/62/88/552406288.db2.gz KXKKJZKSJAHZPC-BXUZGUMPSA-N 1 0 382.302 2.882 20 0 GFADRO CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]CCCOC1CCOCC1 ZINC000187264160 552411226 /nfs/dbraw/zinc/41/12/26/552411226.db2.gz JUGOGWFUTIILBJ-UHFFFAOYSA-N 1 0 375.918 2.809 20 0 GFADRO O=C(NCc1ccc(F)cc1Br)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC000187304474 552412240 /nfs/dbraw/zinc/41/22/40/552412240.db2.gz YVAWFMKCFXFAGL-INIZCTEOSA-N 1 0 385.277 2.848 20 0 GFADRO C[C@H]([NH2+]CCc1nc(-c2ccc(Cl)cc2)no1)C1CCS(=O)(=O)CC1 ZINC000187332154 552412603 /nfs/dbraw/zinc/41/26/03/552412603.db2.gz WJNUCPJYSGGIDI-LBPRGKRZSA-N 1 0 383.901 2.735 20 0 GFADRO Cc1cc(Br)cc(S(=O)(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000187337807 552412674 /nfs/dbraw/zinc/41/26/74/552412674.db2.gz ZINAYUDXGDHQDQ-OCCSQVGLSA-N 1 0 375.332 2.861 20 0 GFADRO CNS(=O)(=O)c1cccc([C@H](C)[NH2+]C[C@@H](O)c2ccc(F)cc2Cl)c1 ZINC000187426308 552415432 /nfs/dbraw/zinc/41/54/32/552415432.db2.gz VYEDCLWOQYLFFI-APPDUMDISA-N 1 0 386.876 2.771 20 0 GFADRO CCO[C@@H]1C[C@]([NH3+])(C(=O)NCc2ccc(OC)c(Br)c2)C1(C)C ZINC000187623659 552420597 /nfs/dbraw/zinc/42/05/97/552420597.db2.gz QYZFCYLKBPEVEO-PBHICJAKSA-N 1 0 385.302 2.606 20 0 GFADRO CC[C@@]1(CO)CCC[N@H+](CC(=O)N(C)Cc2ccccc2Br)C1 ZINC000187641900 552420960 /nfs/dbraw/zinc/42/09/60/552420960.db2.gz OBFLEXKXAMSENZ-GOSISDBHSA-N 1 0 383.330 2.892 20 0 GFADRO CN(CC[N@H+](C)C1CC1)C(=O)C(=O)Nc1cc(Cl)ccc1Br ZINC000187724914 552422681 /nfs/dbraw/zinc/42/26/81/552422681.db2.gz CYWZPOOXXYKTRA-UHFFFAOYSA-N 1 0 388.693 2.594 20 0 GFADRO COC[C@@H]([NH2+]C[C@H](O)COc1cccc(Cl)c1Cl)C1CCOCC1 ZINC000187838610 552426176 /nfs/dbraw/zinc/42/61/76/552426176.db2.gz QNNRINMNFHAXFO-DZGCQCFKSA-N 1 0 378.296 2.764 20 0 GFADRO COc1cc([C@@H](C)[NH2+][C@H]2CCC[C@@H]2CCO)ccc1S(=O)(=O)C(F)F ZINC000187997713 552430406 /nfs/dbraw/zinc/43/04/06/552430406.db2.gz GLJHPEXVZDSEPY-BZPMIXESSA-N 1 0 377.453 2.893 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N[C@@H](C)C[NH+]2CCCCC2)cc1Br ZINC000188058658 552432712 /nfs/dbraw/zinc/43/27/12/552432712.db2.gz KLTGMBAFNXIBJH-AWEZNQCLSA-N 1 0 396.329 2.995 20 0 GFADRO Cc1cc(Br)cc(NC(=O)C(=O)NC2CC[NH+](CC3CC3)CC2)c1 ZINC000188071432 552433386 /nfs/dbraw/zinc/43/33/86/552433386.db2.gz MJBCDYFMJRTOAH-UHFFFAOYSA-N 1 0 394.313 2.687 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cc(Br)c(C)cc1C ZINC000188098462 552434999 /nfs/dbraw/zinc/43/49/99/552434999.db2.gz PLVHXVRRPQIMOG-ZDUSSCGKSA-N 1 0 382.302 2.605 20 0 GFADRO Cc1cc(Br)cc(NC(=O)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)c1 ZINC000188131395 552436178 /nfs/dbraw/zinc/43/61/78/552436178.db2.gz QGYTWMNNUMQVAH-GFCCVEGCSA-N 1 0 384.318 2.789 20 0 GFADRO Cc1cc(Br)cc(NC(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c1 ZINC000188135843 552436584 /nfs/dbraw/zinc/43/65/84/552436584.db2.gz NOAUFDQQELVYJV-CJNGLKHVSA-N 1 0 394.313 2.639 20 0 GFADRO COC(=O)c1cc(Cl)ccc1S(=O)(=O)N[C@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000188231200 552439835 /nfs/dbraw/zinc/43/98/35/552439835.db2.gz QOIIGFZUFLRFCS-QWHCGFSZSA-N 1 0 388.917 2.525 20 0 GFADRO Cc1csc(C(=O)N(C)C2CC[NH+](C)CC2)c1I ZINC000188400265 552444485 /nfs/dbraw/zinc/44/44/85/552444485.db2.gz HEZCZLOWIAGERB-UHFFFAOYSA-N 1 0 378.279 2.827 20 0 GFADRO O=C(c1ccc(I)c(Cl)c1)N1CC[NH+]2CCC1CC2 ZINC000188643283 552450880 /nfs/dbraw/zinc/45/08/80/552450880.db2.gz KYMYOYUWRBROPE-UHFFFAOYSA-N 1 0 390.652 2.865 20 0 GFADRO CC(C)Oc1cc(Br)cc(NC(=O)c2n[nH]c3c2C[NH2+]CC3)c1 ZINC000188670967 552451295 /nfs/dbraw/zinc/45/12/95/552451295.db2.gz AELXFYNQSIAGKU-UHFFFAOYSA-N 1 0 379.258 2.857 20 0 GFADRO O=C(NCc1ccc2c(c1)C[NH2+]C2)c1cc(Br)c2c(c1)OCCO2 ZINC000188714137 552453527 /nfs/dbraw/zinc/45/35/27/552453527.db2.gz GLEGVMURCRUDRI-UHFFFAOYSA-N 1 0 389.249 2.754 20 0 GFADRO O=C([C@@H]1CCN(c2cc(Cl)ccc2Cl)C1=O)N1CC[NH+]2CCC1CC2 ZINC000188843766 552456459 /nfs/dbraw/zinc/45/64/59/552456459.db2.gz SEAQLYJWQCRSGZ-AWEZNQCLSA-N 1 0 382.291 2.653 20 0 GFADRO COc1cc(C[NH2+]C[C@H]2CC[C@H](O)C2)cc(I)c1OC ZINC000188849392 552456762 /nfs/dbraw/zinc/45/67/62/552456762.db2.gz YNKFNBJCZBCQNF-JQWIXIFHSA-N 1 0 391.249 2.559 20 0 GFADRO Fc1cc(Br)cc(OCCN2CC[NH+](C3CCOCC3)CC2)c1 ZINC000189066786 552462170 /nfs/dbraw/zinc/46/21/70/552462170.db2.gz SEGCTTXYMLIMGQ-UHFFFAOYSA-N 1 0 387.293 2.764 20 0 GFADRO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(C(=O)c2csc(Cl)c2)CC1 ZINC000189186877 552465552 /nfs/dbraw/zinc/46/55/52/552465552.db2.gz YMHFNIXTIMISRI-UHFFFAOYSA-N 1 0 385.961 2.958 20 0 GFADRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1CCC(=O)Nc1ccc(Br)cc1 ZINC000189433169 552471382 /nfs/dbraw/zinc/47/13/82/552471382.db2.gz CWJGIAMYSWSWRQ-AWEZNQCLSA-N 1 0 398.345 2.555 20 0 GFADRO C[N@H+](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)CC1(O)CCOCC1 ZINC000189766884 552479144 /nfs/dbraw/zinc/47/91/44/552479144.db2.gz QFDDIZWUUCAWPW-UHFFFAOYSA-N 1 0 380.794 2.771 20 0 GFADRO C[C@@H](NC(=O)C[N@H+](C)CC1(O)CCOCC1)c1ccc(Cl)cc1Cl ZINC000189762061 552479406 /nfs/dbraw/zinc/47/94/06/552479406.db2.gz ICDMJEOZHXSMJJ-GFCCVEGCSA-N 1 0 375.296 2.644 20 0 GFADRO Cc1cc(F)c(Br)cc1S(=O)(=O)NC1CC[NH+](C2CC2)CC1 ZINC000189819365 552480959 /nfs/dbraw/zinc/48/09/59/552480959.db2.gz ORNISBKEJRCITB-UHFFFAOYSA-N 1 0 391.306 2.802 20 0 GFADRO C[NH+](C)CC(=O)N1CCC[C@@H]1c1nc(-c2ccccc2Br)no1 ZINC000189861611 552481274 /nfs/dbraw/zinc/48/12/74/552481274.db2.gz GPJFPABNWBKFGG-CYBMUJFWSA-N 1 0 379.258 2.724 20 0 GFADRO CC[N@H+](CC(=O)N(CCOC)Cc1sccc1Br)C1CC1 ZINC000190176690 552489661 /nfs/dbraw/zinc/48/96/61/552489661.db2.gz KJGSKQCQDVLYHK-UHFFFAOYSA-N 1 0 375.332 2.970 20 0 GFADRO CCc1nnc(NC(=O)N2CC[C@@H](C[N@H+](C)Cc3scnc3C)C2)s1 ZINC000190452269 552497001 /nfs/dbraw/zinc/49/70/01/552497001.db2.gz YCLRMIMYXJUZDF-LBPRGKRZSA-N 1 0 380.543 2.851 20 0 GFADRO CCS(=O)(=O)N(C)CCC[NH2+]Cc1cc(Br)c(Cl)s1 ZINC000190762472 552508504 /nfs/dbraw/zinc/50/85/04/552508504.db2.gz XWNZAUPQJGQFOT-UHFFFAOYSA-N 1 0 389.768 2.925 20 0 GFADRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)Nc1cc(Cl)c(F)c(Cl)c1 ZINC000190835103 552510511 /nfs/dbraw/zinc/51/05/11/552510511.db2.gz FWRYVTVAFOTKKN-ZANVPECISA-N 1 0 376.259 2.870 20 0 GFADRO Cc1csc(C(=O)NC[C@H](C(C)C)N2CC[NH+](C)CC2)c1Br ZINC000190953791 552514451 /nfs/dbraw/zinc/51/44/51/552514451.db2.gz IDVOMQCWGYVINM-CYBMUJFWSA-N 1 0 388.375 2.821 20 0 GFADRO Cc1cc(Br)cc(NC(=O)C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)c1 ZINC000190950515 552514548 /nfs/dbraw/zinc/51/45/48/552514548.db2.gz DSXBIEFVDSDZFX-XJKSGUPXSA-N 1 0 394.313 2.639 20 0 GFADRO C[N@H+](CCn1ccnc1)Cc1cccc(Br)c1OCC(C)(C)O ZINC000191352366 552526129 /nfs/dbraw/zinc/52/61/29/552526129.db2.gz UYSNHRMJJKPRLT-UHFFFAOYSA-N 1 0 382.302 2.927 20 0 GFADRO O=C([C@@H]1CCC[N@@H+]1C1CCOCC1)N1CCc2cc(Br)ccc2C1 ZINC000191553741 552531463 /nfs/dbraw/zinc/53/14/63/552531463.db2.gz XEQWCBXIIZXKOP-SFHVURJKSA-N 1 0 393.325 2.977 20 0 GFADRO Brc1ccc(CN2CC[NH+](CC3CC3)CC2)c(N2CCOCC2)c1 ZINC000191615441 552533540 /nfs/dbraw/zinc/53/35/40/552533540.db2.gz YOAWPOJTDYQGSM-UHFFFAOYSA-N 1 0 394.357 2.813 20 0 GFADRO COC(=O)CN1CCC([NH2+][C@H](C)c2ccc(Br)cc2OC)CC1 ZINC000191627123 552533642 /nfs/dbraw/zinc/53/36/42/552533642.db2.gz CXMFXVJEKZBSGV-GFCCVEGCSA-N 1 0 385.302 2.746 20 0 GFADRO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)Nc1cc(Cl)c(Cl)cc1OC ZINC000191911372 552542116 /nfs/dbraw/zinc/54/21/16/552542116.db2.gz BGNHNTBSMKHQQE-SNVBAGLBSA-N 1 0 376.284 2.787 20 0 GFADRO CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2cc(Cl)c(Cl)cc2OC)C1 ZINC000192062337 552548218 /nfs/dbraw/zinc/54/82/18/552548218.db2.gz CYPCEARDDJELMT-LLVKDONJSA-N 1 0 388.295 2.741 20 0 GFADRO C[C@H]1C[C@@H](NC(=O)c2cc(Br)nn2C)CC[N@@H+]1Cc1ccccc1 ZINC000192148383 552553424 /nfs/dbraw/zinc/55/34/24/552553424.db2.gz ISPRITJADCGKNK-ZFWWWQNUSA-N 1 0 391.313 2.966 20 0 GFADRO Cn1cc(N2CC[C@@H]([NH2+]Cc3ccc(Br)c(Cl)c3)C2=O)cn1 ZINC000192167774 552553992 /nfs/dbraw/zinc/55/39/92/552553992.db2.gz MEXFADMTHGNWRW-CQSZACIVSA-N 1 0 383.677 2.731 20 0 GFADRO COCc1nc2n(n1)C[C@H]([NH2+]Cc1ccc(Br)c(Cl)c1)CC2 ZINC000192197993 552555766 /nfs/dbraw/zinc/55/57/66/552555766.db2.gz QINDXBAWLRTRIC-LLVKDONJSA-N 1 0 385.693 2.945 20 0 GFADRO COCc1nc2n(n1)C[C@@H]([NH2+]Cc1ccc(Br)c(Cl)c1)CC2 ZINC000192197998 552555794 /nfs/dbraw/zinc/55/57/94/552555794.db2.gz QINDXBAWLRTRIC-NSHDSACASA-N 1 0 385.693 2.945 20 0 GFADRO O=C(Nc1cccc(CN2CCOCC2)c1)c1ncc(Br)s1 ZINC000192413006 552561882 /nfs/dbraw/zinc/56/18/82/552561882.db2.gz KSCXIIHJIBNQJW-UHFFFAOYSA-N 1 0 382.283 2.990 20 0 GFADRO COc1cc(Cl)c(S(=O)(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)cc1OC ZINC000192820767 552974356 /nfs/dbraw/zinc/97/43/56/552974356.db2.gz XGEINZINTHZXCG-CYBMUJFWSA-N 1 0 390.933 2.852 20 0 GFADRO COc1cc(Br)ccc1CCCN1CC[N@H+](C[C@@H](C)O)C[C@@H]1C ZINC000192819361 552974640 /nfs/dbraw/zinc/97/46/40/552974640.db2.gz QWKUAVFEZCHHPZ-LSDHHAIUSA-N 1 0 385.346 2.777 20 0 GFADRO CC(=O)Nc1cc(F)c(S(=O)(=O)N[C@@]2(C[NH3+])CCCC[C@@H]2C)cc1Cl ZINC000193039502 552981333 /nfs/dbraw/zinc/98/13/33/552981333.db2.gz VQURRBXXNSGECQ-MGPLVRAMSA-N 1 0 391.896 2.623 20 0 GFADRO COC(=O)CS(=O)(=O)Cc1ccc(C[NH2+]Cc2sccc2Cl)cc1 ZINC000193150235 552984891 /nfs/dbraw/zinc/98/48/91/552984891.db2.gz JHFCJDFDHOXCPJ-UHFFFAOYSA-N 1 0 387.910 2.779 20 0 GFADRO COc1cc(Cl)c(S(=O)(=O)N[C@H](C[NH3+])C2CCCCC2)cc1OC ZINC000193282912 552989008 /nfs/dbraw/zinc/98/90/08/552989008.db2.gz WQVNCKJXMKSQOT-CYBMUJFWSA-N 1 0 376.906 2.543 20 0 GFADRO COc1cc(Br)c(F)cc1S(=O)(=O)N[C@@](C)(C[NH3+])CC(C)C ZINC000193288421 552989200 /nfs/dbraw/zinc/98/92/00/552989200.db2.gz STLBSDNVZAOKJO-CQSZACIVSA-N 1 0 397.310 2.639 20 0 GFADRO CCC[NH2+]CCNS(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCCCO1 ZINC000193344241 552990724 /nfs/dbraw/zinc/99/07/24/552990724.db2.gz WYNVGBLZCLNHHF-OAHLLOKOSA-N 1 0 390.933 2.566 20 0 GFADRO CC1(NC(=O)CCc2nc(-c3cc(Br)cs3)no2)CC[NH2+]CC1 ZINC000193378201 552991570 /nfs/dbraw/zinc/99/15/70/552991570.db2.gz PRHLPJNMXINKOE-UHFFFAOYSA-N 1 0 399.314 2.752 20 0 GFADRO O=C(Nc1ccc(F)cc1Br)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000193705953 553000969 /nfs/dbraw/zinc/00/09/69/553000969.db2.gz RTLBGRAYAUAFMQ-UHFFFAOYSA-N 1 0 398.276 2.517 20 0 GFADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)c1ccc(=O)[nH]c1 ZINC000193888437 553005834 /nfs/dbraw/zinc/00/58/34/553005834.db2.gz ZSSALWQTSXKKHO-UHFFFAOYSA-N 1 0 378.270 2.754 20 0 GFADRO O=S(=O)(N1CCC([NH2+]CCSCc2ccccc2)CC1)C(F)(F)F ZINC000193914036 553007137 /nfs/dbraw/zinc/00/71/37/553007137.db2.gz TVLYKNVMAGWULY-UHFFFAOYSA-N 1 0 382.473 2.823 20 0 GFADRO C[NH+]1CCC2(CC1)C[C@H](NC(=O)[C@@H]1CSCCS1)c1ccccc1O2 ZINC000193974606 553008607 /nfs/dbraw/zinc/00/86/07/553008607.db2.gz JDUADQWNEJJZLU-RDJZCZTQSA-N 1 0 378.563 2.939 20 0 GFADRO C[C@@H](CCc1ccc(C(F)(F)F)cc1)[NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000193996311 553009233 /nfs/dbraw/zinc/00/92/33/553009233.db2.gz UFHXSWJTRXMDBQ-ZFWWWQNUSA-N 1 0 378.460 2.898 20 0 GFADRO COC[C@H]([NH2+]CC1CCN(S(=O)(=O)C(F)F)CC1)c1ccc(Cl)cc1 ZINC000194099117 553011616 /nfs/dbraw/zinc/01/16/16/553011616.db2.gz LWABIYIHSWMXGD-HNNXBMFYSA-N 1 0 396.887 2.882 20 0 GFADRO CC[NH+]1CCC(CCNC(=O)[C@@H]2Cc3cc(Br)ccc3O2)CC1 ZINC000194353278 553018704 /nfs/dbraw/zinc/01/87/04/553018704.db2.gz KWBBLSOEQPEZKV-KRWDZBQOSA-N 1 0 381.314 2.991 20 0 GFADRO CN(CCCN1CC[NH+](C)CC1)C(=O)c1ccc(OC(F)(F)Cl)cc1 ZINC000194594214 553024788 /nfs/dbraw/zinc/02/47/88/553024788.db2.gz OFQPTIHLZOZUOV-UHFFFAOYSA-N 1 0 375.847 2.564 20 0 GFADRO O=C(Nc1cc(C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)ccc1Cl)c1cccs1 ZINC000195247275 553042336 /nfs/dbraw/zinc/04/23/36/553042336.db2.gz HJGKVIIURQPXKE-BETUJISGSA-N 1 0 375.881 2.945 20 0 GFADRO COc1cccc(CN(CC[NH+](C)C)S(=O)(=O)CCc2cccs2)c1 ZINC000195412872 553047622 /nfs/dbraw/zinc/04/76/22/553047622.db2.gz RXSRTDJEBIMMIA-UHFFFAOYSA-N 1 0 382.551 2.693 20 0 GFADRO C[C@@H](CNS(=O)(=O)N(C)Cc1c(F)cccc1Cl)C[NH+]1CCCCC1 ZINC000195694762 553051474 /nfs/dbraw/zinc/05/14/74/553051474.db2.gz LNVUHHBCQQPYSI-AWEZNQCLSA-N 1 0 391.940 2.867 20 0 GFADRO O=C(c1ccc(I)c(Cl)c1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000226283798 553061352 /nfs/dbraw/zinc/06/13/52/553061352.db2.gz GFKDKOOTJQNGIL-MNOVXSKESA-N 1 0 390.652 2.911 20 0 GFADRO CC[NH2+]CC1CCN(C(=O)c2ccc(F)cc2I)CC1 ZINC000226286237 553061620 /nfs/dbraw/zinc/06/16/20/553061620.db2.gz SAPUOZCGPXHGAO-UHFFFAOYSA-N 1 0 390.240 2.892 20 0 GFADRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)c3csc(I)c3)C[C@@H]21 ZINC000230069064 553064205 /nfs/dbraw/zinc/06/42/05/553064205.db2.gz ZHVAXWKIXWDAHK-INTQDDNPSA-N 1 0 376.263 2.552 20 0 GFADRO O=C([C@H]1CC12CC[NH2+]CC2)N1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000236619595 553069927 /nfs/dbraw/zinc/06/99/27/553069927.db2.gz XLGDENHNGXENCS-HZPDHXFCSA-N 1 0 379.298 2.739 20 0 GFADRO CC(C)C[C@H](Cc1cccc(Br)c1)C(=O)NCCN1CC[NH2+]CC1 ZINC000236643525 553070482 /nfs/dbraw/zinc/07/04/82/553070482.db2.gz PSUMAECFJOFINN-QGZVFWFLSA-N 1 0 396.373 2.675 20 0 GFADRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)Cc1csc(NC(=O)c2cccs2)n1 ZINC000236749289 553071016 /nfs/dbraw/zinc/07/10/16/553071016.db2.gz PIHZVKYMNYKMSA-ZDUSSCGKSA-N 1 0 380.539 2.831 20 0 GFADRO O=C(NCC1(c2cccc(Br)c2)CCOCC1)C1CC[NH2+]CC1 ZINC000236775693 553071021 /nfs/dbraw/zinc/07/10/21/553071021.db2.gz ZMFFSSXXCPWAFQ-UHFFFAOYSA-N 1 0 381.314 2.613 20 0 GFADRO CC(C)C[C@](C)(C[NH3+])NC(=O)c1cc(=O)c2cc(Br)ccc2[nH]1 ZINC000236707407 553071143 /nfs/dbraw/zinc/07/11/43/553071143.db2.gz XCEZTRQBIOFCJL-QGZVFWFLSA-N 1 0 380.286 2.784 20 0 GFADRO CCOc1cc(Br)c(CC(=O)N2CC[NH2+][C@@H](C)C2)cc1OCC ZINC000236878941 553072930 /nfs/dbraw/zinc/07/29/30/553072930.db2.gz IULZHBOEBYMJNB-LBPRGKRZSA-N 1 0 385.302 2.609 20 0 GFADRO COCC[C@H](Cc1cccc(Br)c1)C(=O)N(C)C1CC[NH2+]CC1 ZINC000237115964 553074716 /nfs/dbraw/zinc/07/47/16/553074716.db2.gz HPCYIUIUJJKPKQ-OAHLLOKOSA-N 1 0 383.330 2.855 20 0 GFADRO COCC[C@H](Cc1cccc(Br)c1)C(=O)N1C[C@H](C)[NH2+]C[C@@H]1C ZINC000237116999 553074744 /nfs/dbraw/zinc/07/47/44/553074744.db2.gz HRQIIXJCOGBHKG-OFQRWUPVSA-N 1 0 383.330 2.853 20 0 GFADRO C[NH2+]CC1CCN(C(=O)c2nc(C)n(-c3c(Cl)cccc3Cl)n2)CC1 ZINC000237095783 553074833 /nfs/dbraw/zinc/07/48/33/553074833.db2.gz RLVCXBNAXBOTMD-UHFFFAOYSA-N 1 0 382.295 2.954 20 0 GFADRO C[NH2+]C[C@@H]1CCCN(C(=O)c2nc(C)n(-c3c(Cl)cccc3Cl)n2)C1 ZINC000237266448 553076503 /nfs/dbraw/zinc/07/65/03/553076503.db2.gz ZSEXSIIHINAXJY-LBPRGKRZSA-N 1 0 382.295 2.954 20 0 GFADRO C[C@@H](NC(=O)C1([NH3+])CCCC1)c1nc(-c2ccc(Br)cc2)no1 ZINC000237493745 553078157 /nfs/dbraw/zinc/07/81/57/553078157.db2.gz FTIBHZGQMJDPDW-SNVBAGLBSA-N 1 0 379.258 2.948 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)c2cnn(-c3cccc(Br)c3)c2)C1 ZINC000237510975 553078775 /nfs/dbraw/zinc/07/87/75/553078775.db2.gz JQUVWYVGCUZQHZ-QWHCGFSZSA-N 1 0 377.286 2.834 20 0 GFADRO C[C@H](Cc1ccc(F)c(Br)c1)NC(=O)C[C@H]1CSCC[NH2+]1 ZINC000237529173 553078883 /nfs/dbraw/zinc/07/88/83/553078883.db2.gz YPTSLAMWOBKISZ-PWSUYJOCSA-N 1 0 375.307 2.731 20 0 GFADRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)c1ccc(Cl)c(I)c1 ZINC000237645857 553079949 /nfs/dbraw/zinc/07/99/49/553079949.db2.gz BCBVNJPUWWMCEK-DTWKUNHWSA-N 1 0 378.641 2.767 20 0 GFADRO O=C(CSCc1ccc(Cl)cc1Cl)NCCCN1CC[NH2+]CC1 ZINC000237746214 553080932 /nfs/dbraw/zinc/08/09/32/553080932.db2.gz LQBNGRRGYGRVSW-UHFFFAOYSA-N 1 0 376.353 2.638 20 0 GFADRO Cc1ccc(S(=O)(=O)NCCC[NH2+]Cc2cccnc2)cc1Br ZINC000237741222 553081203 /nfs/dbraw/zinc/08/12/03/553081203.db2.gz GUWKHTGHMDGNKK-UHFFFAOYSA-N 1 0 398.326 2.611 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)C1([NH3+])CCCCC1 ZINC000237784874 553081911 /nfs/dbraw/zinc/08/19/11/553081911.db2.gz WEBAJLWAZVQBSM-UHFFFAOYSA-N 1 0 382.302 2.864 20 0 GFADRO O=C(N[C@@H]1CCc2c1ccc(Cl)c2Cl)c1cn(C2CC[NH2+]CC2)nn1 ZINC000237799994 553082403 /nfs/dbraw/zinc/08/24/03/553082403.db2.gz LOENTQGNCOSZLZ-CQSZACIVSA-N 1 0 380.279 2.927 20 0 GFADRO O=C(NC[C@@H]1CCCN(C(=O)c2cc(Cl)cc(Cl)c2)C1)[C@@H]1CCC[NH2+]1 ZINC000237833703 553082825 /nfs/dbraw/zinc/08/28/25/553082825.db2.gz JVKUXVFNPYVIDW-LRDDRELGSA-N 1 0 384.307 2.714 20 0 GFADRO [NH3+]C[C@H]1CCCN(C(=O)c2nn(-c3ccc(F)cc3)cc2Br)C1 ZINC000237894563 553083639 /nfs/dbraw/zinc/08/36/39/553083639.db2.gz AQRYPWGCTXESBO-LLVKDONJSA-N 1 0 381.249 2.585 20 0 GFADRO [NH3+][C@@H]1CCC[C@H]1C(=O)N1CCC(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000237937319 553083934 /nfs/dbraw/zinc/08/39/34/553083934.db2.gz SZUOKLWOCNPQFR-HZPDHXFCSA-N 1 0 394.313 2.754 20 0 GFADRO [NH3+]CCCCNC(=O)c1cccn1-c1cccc(I)c1 ZINC000238047897 553085664 /nfs/dbraw/zinc/08/56/64/553085664.db2.gz RAHINTBGPJNVQZ-UHFFFAOYSA-N 1 0 383.233 2.551 20 0 GFADRO [NH3+]C[C@@H]1CCCN(C(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)C1 ZINC000238074999 553085821 /nfs/dbraw/zinc/08/58/21/553085821.db2.gz LHONAZIXYKWPFI-LRDDRELGSA-N 1 0 384.307 2.795 20 0 GFADRO Cc1c(Br)cccc1NC(=O)C(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000245382915 553089203 /nfs/dbraw/zinc/08/92/03/553089203.db2.gz LZNVSGCJGTXEJQ-OLZOCXBDSA-N 1 0 396.329 2.933 20 0 GFADRO COC(=O)C[C@@H]1CSCCN1[C@H]1CCN(c2ccc(F)c(Cl)c2)C1=O ZINC000245554611 553092818 /nfs/dbraw/zinc/09/28/18/553092818.db2.gz AZYMQUANOSOYJX-DOMZBBRYSA-N 1 0 386.876 2.565 20 0 GFADRO C[C@H](O)CN1CCN(S(=O)(=O)c2ccc(Cl)c3ccccc32)C[C@H]1C ZINC000245780584 553096713 /nfs/dbraw/zinc/09/67/13/553096713.db2.gz CDHLLFDPVKXBPI-KGLIPLIRSA-N 1 0 382.913 2.569 20 0 GFADRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)Cc1cccc(I)c1 ZINC000246047915 553101535 /nfs/dbraw/zinc/10/15/35/553101535.db2.gz TVOLPFKEXHLTHT-SWLSCSKDSA-N 1 0 386.277 2.632 20 0 GFADRO C[C@@H]1CC[C@H]([NH2+]C[C@@H](O)COc2ccc(I)cc2)C1 ZINC000246173664 553103716 /nfs/dbraw/zinc/10/37/16/553103716.db2.gz MSCGUBLGZJQOSU-KWCYVHTRSA-N 1 0 375.250 2.809 20 0 GFADRO C[C@H]1CC[N@H+](CC(=O)NCC(=O)Nc2ccccc2Br)C[C@@H](C)C1 ZINC000246846493 553114306 /nfs/dbraw/zinc/11/43/06/553114306.db2.gz VKTSEDREEWWGFC-KBPBESRZSA-N 1 0 396.329 2.872 20 0 GFADRO C[C@@H]1CC[N@H+](CC(=O)NCC(=O)Nc2ccccc2Br)C[C@@H](C)C1 ZINC000246846515 553114510 /nfs/dbraw/zinc/11/45/10/553114510.db2.gz VKTSEDREEWWGFC-KGLIPLIRSA-N 1 0 396.329 2.872 20 0 GFADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)Cc3cccc(I)c3)CC[C@H]21 ZINC000248007967 553127109 /nfs/dbraw/zinc/12/71/09/553127109.db2.gz KZDVCVXYOARRDD-GDBMZVCRSA-N 1 0 398.288 2.776 20 0 GFADRO CC[C@H](C)CN(CC)CC(=O)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1 ZINC000248369471 553128696 /nfs/dbraw/zinc/12/86/96/553128696.db2.gz WHOFHJWIZSTWHX-HOTGVXAUSA-N 1 0 386.583 2.632 20 0 GFADRO C[C@H]1CC[N@H+](CCC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2Cl)[C@H]1C ZINC000248369149 553128846 /nfs/dbraw/zinc/12/88/46/553128846.db2.gz VYLUSNDFOOIESJ-STQMWFEESA-N 1 0 387.933 2.649 20 0 GFADRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)Nc1cc(Cl)c(F)c(Cl)c1 ZINC000248658152 553132565 /nfs/dbraw/zinc/13/25/65/553132565.db2.gz FWRYVTVAFOTKKN-TVQRCGJNSA-N 1 0 376.259 2.870 20 0 GFADRO CCOCCC[N@@H+]1CC[C@@H](NS(=O)(=O)c2c(F)cccc2Cl)[C@@H](C)C1 ZINC000248640503 553132653 /nfs/dbraw/zinc/13/26/53/553132653.db2.gz MCMKLVWVDXFIPR-XJKSGUPXSA-N 1 0 392.924 2.894 20 0 GFADRO CN(C[C@H](O)C(F)(F)F)C(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000248667480 553133298 /nfs/dbraw/zinc/13/32/98/553133298.db2.gz XAWCMQVRZLTCFJ-UBHSHLNASA-N 1 0 379.448 2.696 20 0 GFADRO Cc1cc(F)c(Br)cc1NC(=O)C(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000248885850 553136802 /nfs/dbraw/zinc/13/68/02/553136802.db2.gz HMAMUTDGTVBNNR-NEPJUHHUSA-N 1 0 398.276 2.530 20 0 GFADRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)Nc1ccc(Cl)c(S(C)(=O)=O)c1 ZINC000249005819 553137986 /nfs/dbraw/zinc/13/79/86/553137986.db2.gz HZOKOMVJAJEEGG-STQMWFEESA-N 1 0 387.933 2.985 20 0 GFADRO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1ccc(Cl)c(S(C)(=O)=O)c1 ZINC000249071211 553139194 /nfs/dbraw/zinc/13/91/94/553139194.db2.gz RAEOMKHXNNYHEL-KGLIPLIRSA-N 1 0 385.917 2.834 20 0 GFADRO C[C@@H](NC(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1)c1ccc(Br)cc1 ZINC000249129705 553139383 /nfs/dbraw/zinc/13/93/83/553139383.db2.gz RYHPAHHMLYDXHM-UONOGXRCSA-N 1 0 398.345 2.997 20 0 GFADRO O[C@@H](COc1ccc(Br)cc1)C[N@@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000249740967 553145354 /nfs/dbraw/zinc/14/53/54/553145354.db2.gz XXMLJBQUXKBBML-UKRRQHHQSA-N 1 0 380.286 2.792 20 0 GFADRO C[C@H](CNS(=O)(=O)c1sccc1Br)[N@@H+]1CCC[C@H](C)C1 ZINC000249711974 553145409 /nfs/dbraw/zinc/14/54/09/553145409.db2.gz XMVCNRYLEJJQEV-WDEREUQCSA-N 1 0 381.361 2.909 20 0 GFADRO O=C(c1ccc(I)c(Cl)c1)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261575761 553153675 /nfs/dbraw/zinc/15/36/75/553153675.db2.gz BTGACFYRKYCOPP-MNOVXSKESA-N 1 0 390.652 2.626 20 0 GFADRO CN(CC1(c2ccc(Br)cc2)CC1)C(=O)[C@H]([NH3+])C1CCOCC1 ZINC000261614072 553154048 /nfs/dbraw/zinc/15/40/48/553154048.db2.gz BPQBDSHZKKONHZ-MRXNPFEDSA-N 1 0 381.314 2.693 20 0 GFADRO Cc1c(Br)cccc1S(=O)(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000261613785 553154068 /nfs/dbraw/zinc/15/40/68/553154068.db2.gz CLCCTPDOEHZMDE-GOEBONIOSA-N 1 0 395.322 2.873 20 0 GFADRO CC1(C)C[NH2+]CC[C@H]1NS(=O)(=O)c1ccc(Br)cc1Cl ZINC000261616786 553154437 /nfs/dbraw/zinc/15/44/37/553154437.db2.gz CVSQMHXLXMTMPH-GFCCVEGCSA-N 1 0 381.723 2.769 20 0 GFADRO O=C(NC[C@H]1CCCN(Cc2ccc(Br)c(F)c2)C1)[C@@H]1CCC[NH2+]1 ZINC000261647098 553155106 /nfs/dbraw/zinc/15/51/06/553155106.db2.gz JFEONVGHMKRNHH-PBHICJAKSA-N 1 0 398.320 2.668 20 0 GFADRO CC(C)c1n[nH]c(C(=O)N(CC[NH3+])CCc2ccccc2)c1Br ZINC000261664095 553155926 /nfs/dbraw/zinc/15/59/26/553155926.db2.gz FMRZLYNPMYQGPI-UHFFFAOYSA-N 1 0 379.302 2.939 20 0 GFADRO O=C(NC[C@H]1CCCN(Cc2ccc(F)cc2Br)C1)[C@@H]1CCC[NH2+]1 ZINC000261670836 553155939 /nfs/dbraw/zinc/15/59/39/553155939.db2.gz LSGBDBWNLFMBMR-DYVFJYSZSA-N 1 0 398.320 2.668 20 0 GFADRO C[C@]([NH3+])(C(=O)N[C@@H]1[C@H]2CCCO[C@H]2C1(C)C)c1ccc(Br)cc1 ZINC000261693196 553156503 /nfs/dbraw/zinc/15/65/03/553156503.db2.gz HTSUSEMHMXZKHL-ATNYBXOESA-N 1 0 381.314 2.943 20 0 GFADRO CCN(CC)S(=O)(=O)c1ccc(Cl)c(-c2nc(C3([NH3+])CCC3)no2)c1 ZINC000261692294 553156614 /nfs/dbraw/zinc/15/66/14/553156614.db2.gz HODOUGDXAIRXAO-UHFFFAOYSA-N 1 0 384.889 2.758 20 0 GFADRO C[C@@]([NH3+])(C(=O)N1CCC(n2ccnc2)CC1)c1ccc(Br)cc1 ZINC000261714856 553157297 /nfs/dbraw/zinc/15/72/97/553157297.db2.gz JODJHLUNIKZTLB-KRWDZBQOSA-N 1 0 377.286 2.683 20 0 GFADRO CCN(CC)S(=O)(=O)c1cc(-c2nc(C3([NH3+])CCC3)no2)ccc1Cl ZINC000261749208 553158047 /nfs/dbraw/zinc/15/80/47/553158047.db2.gz CBOVZRUAVYZXBQ-UHFFFAOYSA-N 1 0 384.889 2.758 20 0 GFADRO O=C(NC[C@H]1CCCN(Cc2cc(F)cc(Br)c2)C1)[C@@H]1CCC[NH2+]1 ZINC000261791943 553159103 /nfs/dbraw/zinc/15/91/03/553159103.db2.gz ZBDGVEBKGIRJAJ-DYVFJYSZSA-N 1 0 398.320 2.668 20 0 GFADRO [NH3+]C[C@H]1CC[C@@H](C(=O)NC2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)O1 ZINC000261796707 553159734 /nfs/dbraw/zinc/15/97/34/553159734.db2.gz NVXKTMUJXVIPDY-PBHICJAKSA-N 1 0 386.323 2.580 20 0 GFADRO Cc1c(I)cccc1C(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000261849838 553160891 /nfs/dbraw/zinc/16/08/91/553160891.db2.gz QIEQXWCTUWEJOU-UHFFFAOYSA-N 1 0 384.261 2.815 20 0 GFADRO COc1ccc(I)c(NC(=O)[C@H]2CC23CC[NH2+]CC3)c1 ZINC000261882220 553161487 /nfs/dbraw/zinc/16/14/87/553161487.db2.gz AKYOUFZWQMTNOY-LLVKDONJSA-N 1 0 386.233 2.628 20 0 GFADRO O=C(CC[C@@H]1CC[NH2+]C1)NC[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000261879962 553161847 /nfs/dbraw/zinc/16/18/47/553161847.db2.gz RQNGNOGDQMRYMN-HUUCEWRRSA-N 1 0 380.330 2.781 20 0 GFADRO O=C(CC[C@@H]1CC[NH2+]C1)NC[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000261879958 553161856 /nfs/dbraw/zinc/16/18/56/553161856.db2.gz RQNGNOGDQMRYMN-CABCVRRESA-N 1 0 380.330 2.781 20 0 GFADRO CN(Cc1ccc(Br)cc1)C(=O)[C@]1([NH3+])[C@@H]2CCCO[C@@H]2C1(C)C ZINC000261943386 553163230 /nfs/dbraw/zinc/16/32/30/553163230.db2.gz VBQZYEMAIILPRI-RVKKMQEKSA-N 1 0 381.314 2.940 20 0 GFADRO [NH3+][C@H](CNC(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1)C1CC1 ZINC000261963300 553163274 /nfs/dbraw/zinc/16/32/74/553163274.db2.gz SGBJNKKQUZIXDC-XJKSGUPXSA-N 1 0 384.307 2.699 20 0 GFADRO O=S(=O)(c1cccc(Br)c1Cl)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000262037445 553164878 /nfs/dbraw/zinc/16/48/78/553164878.db2.gz KTUVIJVCXRIWGC-SNVBAGLBSA-N 1 0 379.707 2.618 20 0 GFADRO Brc1cc(CN2CC[NH2+]C[C@H]2c2ccncc2)cc2c1OCCO2 ZINC000262071242 553165101 /nfs/dbraw/zinc/16/51/01/553165101.db2.gz SCTWGDVFWNMXKS-INIZCTEOSA-N 1 0 390.281 2.762 20 0 GFADRO [NH3+][C@@H]1CCC[C@H]2CN(S(=O)(=O)c3cccc(Br)c3Cl)C[C@@H]21 ZINC000262055996 553165352 /nfs/dbraw/zinc/16/53/52/553165352.db2.gz NGMSKOZTPQVVHB-JBLDHEPKSA-N 1 0 393.734 2.850 20 0 GFADRO C[C@@H](C(=O)N1CCC[C@H]1c1ccccc1I)C1C[NH2+]C1 ZINC000262568442 553172558 /nfs/dbraw/zinc/17/25/58/553172558.db2.gz SBORVXVWERGWHN-ABAIWWIYSA-N 1 0 384.261 2.810 20 0 GFADRO C[C@@H](CC(=O)N1CCC(n2cc(Br)cn2)CC1)[C@H]1CCC[NH2+]C1 ZINC000262654398 553173711 /nfs/dbraw/zinc/17/37/11/553173711.db2.gz WNDOGXLEFUCYJO-KBPBESRZSA-N 1 0 383.334 2.835 20 0 GFADRO O=S(=O)(c1cccc(Cl)c1Br)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262768040 553175213 /nfs/dbraw/zinc/17/52/13/553175213.db2.gz LOABQQOSXPSMQV-ZJUUUORDSA-N 1 0 379.707 2.618 20 0 GFADRO COc1cc(Br)c(CNC(=O)[C@@H]2CCCC[C@]2(C)[NH3+])cc1OC ZINC000263106905 553182584 /nfs/dbraw/zinc/18/25/84/553182584.db2.gz ZYBYFGAZFAIHKK-SJCJKPOMSA-N 1 0 385.302 2.990 20 0 GFADRO C[C@]1([NH3+])CCCC[C@H]1C(=O)NCc1nnc(-c2ccc(Br)cc2)[nH]1 ZINC000263234386 553184850 /nfs/dbraw/zinc/18/48/50/553184850.db2.gz NVFUCMSABCEFRF-GUYCJALGSA-N 1 0 392.301 2.758 20 0 GFADRO [NH3+][C@@H](CNC(=O)NCc1cc(Br)ccc1OC(F)F)C1CC1 ZINC000417405621 563879357 /nfs/dbraw/zinc/87/93/57/563879357.db2.gz IWXMXIPDVSUNRZ-NSHDSACASA-N 1 0 378.217 2.587 20 0 GFADRO CCCC[C@@H](C[NH3+])NC(=O)NCc1ccc(I)c(C)c1 ZINC000418144511 563899961 /nfs/dbraw/zinc/89/99/61/563899961.db2.gz UHMWBVKHRHLJHB-ZDUSSCGKSA-N 1 0 389.281 2.916 20 0 GFADRO C[NH2+]C[C@@H]1CCCN(C(=O)NCc2cc(F)c(F)cc2Br)C1 ZINC000418189749 563900639 /nfs/dbraw/zinc/90/06/39/563900639.db2.gz YGJXHRYBAWYBBY-JTQLQIEISA-N 1 0 376.245 2.868 20 0 GFADRO CN(CCC[NH+]1CCCC1)S(=O)(=O)c1ccc(Br)c(F)c1 ZINC000543623553 564355892 /nfs/dbraw/zinc/35/58/92/564355892.db2.gz HPCVIXVSRBPSGC-UHFFFAOYSA-N 1 0 379.295 2.695 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc(F)c(I)c1 ZINC000477314971 564372991 /nfs/dbraw/zinc/37/29/91/564372991.db2.gz BGTVHWVVXLXTMG-ZIAGYGMSSA-N 1 0 388.224 2.787 20 0 GFADRO O=C(NC[C@H]1CCC[N@H+]1CCCO)c1cc(Br)ccc1Cl ZINC000452344624 564406848 /nfs/dbraw/zinc/40/68/48/564406848.db2.gz CYIBRMWLUHYFJJ-GFCCVEGCSA-N 1 0 375.694 2.679 20 0 GFADRO CS(=O)(=O)N[C@@H]1CCCC[C@H]1C[NH2+]Cc1cscc1Br ZINC000512909455 564415886 /nfs/dbraw/zinc/41/58/86/564415886.db2.gz ZAWNQWGFMGMGMD-GXFFZTMASA-N 1 0 381.361 2.708 20 0 GFADRO C[N@@H+]1CCC[C@@H](CNS(=O)(=O)Cc2cc(Cl)ccc2Br)C1 ZINC000569335212 564458891 /nfs/dbraw/zinc/45/88/91/564458891.db2.gz LBPZGDOYEIGSHV-NSHDSACASA-N 1 0 395.750 2.864 20 0 GFADRO CC[NH+](CC)Cc1ccc(CNc2ncc(I)cn2)cc1 ZINC000546621168 564462441 /nfs/dbraw/zinc/46/24/41/564462441.db2.gz AHMXAQRSBLUGDM-UHFFFAOYSA-N 1 0 396.276 3.535 20 0 GFADRO COc1ccc(S(=O)(=O)NCC[N@@H+]2CCCC[C@H]2C)c(Br)c1 ZINC000480471641 564474965 /nfs/dbraw/zinc/47/49/65/564474965.db2.gz POOKCRAZCJORRM-GFCCVEGCSA-N 1 0 391.331 2.610 20 0 GFADRO Cc1cc(F)c(Br)cc1S(=O)(=O)NCC1([NH+](C)C)CCC1 ZINC000480712474 564483365 /nfs/dbraw/zinc/48/33/65/564483365.db2.gz SPLRXAICJNNMAW-UHFFFAOYSA-N 1 0 379.295 2.659 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCCN(S(=O)(=O)Cc2cc(Cl)ccc2Br)C1 ZINC000570514813 564509705 /nfs/dbraw/zinc/50/97/05/564509705.db2.gz WFNNXGQMHDHENY-WDEREUQCSA-N 1 0 395.750 2.992 20 0 GFADRO C[C@@H]([NH2+]Cc1cc(Cl)ccc1I)[C@@H]1CN(C)CCO1 ZINC000594931358 565435329 /nfs/dbraw/zinc/43/53/29/565435329.db2.gz NPYDTUVQLHPLED-YGRLFVJLSA-N 1 0 394.684 2.753 20 0 GFADRO COCCN(Cc1cc(Br)cs1)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000418598729 563220959 /nfs/dbraw/zinc/22/09/59/563220959.db2.gz YYEYCRXBVYLVDJ-CHWSQXEVSA-N 1 0 390.347 2.939 20 0 GFADRO CC[NH+](CC)C[C@@H]1CCN(C(=O)c2ncc(I)s2)C1 ZINC000603437851 565906923 /nfs/dbraw/zinc/90/69/23/565906923.db2.gz SUKOWMZLBKATQR-JTQLQIEISA-N 1 0 393.294 2.552 20 0 GFADRO O=C(c1ccc(I)c(F)c1)N(C1CC1)C1CC[NH2+]CC1 ZINC000370788834 563255461 /nfs/dbraw/zinc/25/54/61/563255461.db2.gz SFSDZQFMKIMDEA-UHFFFAOYSA-N 1 0 388.224 2.787 20 0 GFADRO CN(C[C@@H]1CCC[N@@H+]1C)S(=O)(=O)c1cc(Cl)ccc1Br ZINC000420742149 563281427 /nfs/dbraw/zinc/28/14/27/563281427.db2.gz UFBYAQLROUYKKW-NSHDSACASA-N 1 0 381.723 2.817 20 0 GFADRO O=C(N[C@H]1C[C@H](c2ccc(Br)cc2)C1)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000418197130 563213352 /nfs/dbraw/zinc/21/33/52/563213352.db2.gz FFKHLHRJWRAAIS-KCYZZUKISA-N 1 0 378.314 2.946 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)NCC2(c3ccccc3Br)CCC2)CCCO1 ZINC000418217094 563213825 /nfs/dbraw/zinc/21/38/25/563213825.db2.gz PKTQNMITZYLCFE-AWEZNQCLSA-N 1 0 396.329 2.630 20 0 GFADRO COc1cc(C(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)sc1Br ZINC000277565318 563214175 /nfs/dbraw/zinc/21/41/75/563214175.db2.gz NOKIQTFXPRGJSQ-NSHDSACASA-N 1 0 391.331 2.750 20 0 GFADRO O=C(N[C@H]1CCc2c1ccc(F)c2Br)N[C@H]1C[NH2+]CCC1(F)F ZINC000418255072 563214922 /nfs/dbraw/zinc/21/49/22/563214922.db2.gz RIEAOPPKGCGBKU-RYUDHWBXSA-N 1 0 392.219 2.872 20 0 GFADRO COCC1(CNC(=O)NC/C=C/c2ccc(Br)cc2)CC[NH2+]CC1 ZINC000418271937 563215004 /nfs/dbraw/zinc/21/50/04/563215004.db2.gz QEOOTJFKWZGKTI-NSCUHMNNSA-N 1 0 396.329 2.778 20 0 GFADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+]CCc1ccccn1 ZINC000294747271 563215239 /nfs/dbraw/zinc/21/52/39/563215239.db2.gz KJUYATPKYUNFKP-CYBMUJFWSA-N 1 0 392.297 2.690 20 0 GFADRO C[C@@H]1C[N@H+](CCCNC(=O)c2ccc(C(F)(F)F)nc2Cl)CCCO1 ZINC000277588162 563215362 /nfs/dbraw/zinc/21/53/62/563215362.db2.gz OXWDLRZLBQCQGP-LLVKDONJSA-N 1 0 379.810 2.985 20 0 GFADRO O=C(NCCC[NH2+]C1CC1)N1CCO[C@@H](c2cccc(Br)c2)C1 ZINC000418297365 563215715 /nfs/dbraw/zinc/21/57/15/563215715.db2.gz HTTFCTWRJATTAL-MRXNPFEDSA-N 1 0 382.302 2.674 20 0 GFADRO O=C(N[C@@H]1CCC[NH2+]C1)N1CCC[C@H]1c1ccc(I)cc1 ZINC000418387983 563216633 /nfs/dbraw/zinc/21/66/33/563216633.db2.gz UPYYZXMYVDUZQT-CABCVRRESA-N 1 0 399.276 2.890 20 0 GFADRO COCCN(Cc1ccc(Br)s1)C(=O)N[C@@H]1CCC[C@@H]1C[NH3+] ZINC000418444712 563217774 /nfs/dbraw/zinc/21/77/74/563217774.db2.gz ATOJHLRZNIRHBL-DGCLKSJQSA-N 1 0 390.347 2.796 20 0 GFADRO C[N@@H+]1CC[C@@H](CNC(=O)c2ccc(S(C)(=O)=O)cc2)[C@H]1c1cccs1 ZINC000369570623 563217955 /nfs/dbraw/zinc/21/79/55/563217955.db2.gz SCHKQUYKASRLQZ-YOEHRIQHSA-N 1 0 378.519 2.574 20 0 GFADRO C[C@@H](C[NH3+])CNC(=O)N(Cc1cccc(Br)c1)C1CCOCC1 ZINC000418470202 563218079 /nfs/dbraw/zinc/21/80/79/563218079.db2.gz KXHKOKNNZBCFRK-ZDUSSCGKSA-N 1 0 384.318 2.735 20 0 GFADRO COC(=O)c1ccc(C[NH2+]C[C@@H](CO)Cc2cccc(Br)c2)[nH]1 ZINC000277652627 563218908 /nfs/dbraw/zinc/21/89/08/563218908.db2.gz OKEQASRHADIHIP-ZDUSSCGKSA-N 1 0 381.270 2.505 20 0 GFADRO O=C(NCC1=CC[NH2+]CC1)N[C@H](CO)c1ccc(Cl)cc1C(F)(F)F ZINC000418534779 563219672 /nfs/dbraw/zinc/21/96/72/563219672.db2.gz BKFOIHORMGRYCO-CQSZACIVSA-N 1 0 377.794 2.611 20 0 GFADRO C[C@@]1(CNC(=O)N[C@H](CCO)c2ccccc2Br)CCC[NH2+]C1 ZINC000418550926 563220081 /nfs/dbraw/zinc/22/00/81/563220081.db2.gz UFJGNCKJLVAYGI-NVXWUHKLSA-N 1 0 384.318 2.562 20 0 GFADRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N[C@H](CO)c1ccc(Cl)cc1C(F)(F)F ZINC000418573574 563220144 /nfs/dbraw/zinc/22/01/44/563220144.db2.gz LMLUKRAPYWJTMZ-BIGNPOOSSA-N 1 0 379.810 2.689 20 0 GFADRO C[C@H]1C[N@H+](CCCNC(=O)[C@@H](O)c2cc(Cl)cc(Cl)c2)CCCO1 ZINC000277682256 563220642 /nfs/dbraw/zinc/22/06/42/563220642.db2.gz VCVLVLOBWKNBBS-LRDDRELGSA-N 1 0 375.296 2.644 20 0 GFADRO C[C@H](CCC[NH3+])NC(=O)N1CCN(C(=O)c2cc3sccc3s2)CC1 ZINC000418687484 563221921 /nfs/dbraw/zinc/22/19/21/563221921.db2.gz MCQMQYRUWRTTIB-GFCCVEGCSA-N 1 0 380.539 2.558 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)N1CCC[C@@H]([C@@H](O)C(F)(F)F)C1)c1cccs1 ZINC000277709190 563222176 /nfs/dbraw/zinc/22/21/76/563222176.db2.gz IUKRHSHIMPFINU-YRGRVCCFSA-N 1 0 379.448 2.696 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)N1CCC[C@H]([C@H](O)C(F)(F)F)C1)c1cccs1 ZINC000277709182 563222227 /nfs/dbraw/zinc/22/22/27/563222227.db2.gz IUKRHSHIMPFINU-SCRDCRAPSA-N 1 0 379.448 2.696 20 0 GFADRO C[C@@H](CCC[NH3+])NC(=O)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000418685433 563222341 /nfs/dbraw/zinc/22/23/41/563222341.db2.gz DHNFCWSZISXNPB-LBPRGKRZSA-N 1 0 387.311 2.588 20 0 GFADRO C[C@@H](NC(=O)N1CCC[C@H]1c1ccccc1I)[C@H](C)[NH3+] ZINC000418695095 563222655 /nfs/dbraw/zinc/22/26/55/563222655.db2.gz JCVYLYUZNHLUIM-WDMOLILDSA-N 1 0 387.265 2.873 20 0 GFADRO CC[C@H]([NH3+])CNC(=O)N1CCC[C@@H]1c1ccccc1I ZINC000418714650 563222694 /nfs/dbraw/zinc/22/26/94/563222694.db2.gz QOSPHJOYUBAEBF-SMDDNHRTSA-N 1 0 387.265 2.875 20 0 GFADRO C[C@H](CCCC[NH3+])NC(=O)NCc1noc(-c2cccc(Br)c2)n1 ZINC000418697302 563223003 /nfs/dbraw/zinc/22/30/03/563223003.db2.gz NEOJCCYFWUJJHB-LLVKDONJSA-N 1 0 396.289 2.816 20 0 GFADRO [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)N[C@@H](CCO)c1ccccc1Br ZINC000418740560 563224173 /nfs/dbraw/zinc/22/41/73/563224173.db2.gz OBXZZQUNRBMBFW-UINKAMIRSA-N 1 0 396.329 2.688 20 0 GFADRO CCCN(C(=O)NC[C@@H]1C[NH2+]CCO1)[C@@H](C)c1ccccc1Br ZINC000418764635 563224880 /nfs/dbraw/zinc/22/48/80/563224880.db2.gz KZLZCGPETXOEFL-KBPBESRZSA-N 1 0 384.318 2.920 20 0 GFADRO Cc1cc(Br)cc2c1CN(C(=O)N[C@H]1C[NH2+]CCC1(F)F)CC2 ZINC000418773411 563225098 /nfs/dbraw/zinc/22/50/98/563225098.db2.gz VEYAUYXVKLKKOR-AWEZNQCLSA-N 1 0 388.256 2.822 20 0 GFADRO C[C@@H](NC(=O)C(=O)NC[C@]1(C)CCC[NH2+]C1)c1cc(F)c(Cl)cc1Cl ZINC000418826237 563226381 /nfs/dbraw/zinc/22/63/81/563226381.db2.gz AYDHWDHUAILGRO-BMLIUANNSA-N 1 0 390.286 2.816 20 0 GFADRO C[C@H](NC(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1)c1cc(F)c(Cl)cc1Cl ZINC000418832716 563226432 /nfs/dbraw/zinc/22/64/32/563226432.db2.gz HNGLIYWEEOWSNE-BTDLBPIBSA-N 1 0 388.270 2.522 20 0 GFADRO CCCN(C(=O)C(=O)N[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1)[C@@H]1CC[NH2+]C1 ZINC000418813775 563226703 /nfs/dbraw/zinc/22/67/03/563226703.db2.gz DRXIORNREBOPDM-DVOMOZLQSA-N 1 0 384.307 2.566 20 0 GFADRO C[C@@H](NC(=O)C(=O)NCC[C@H]1CCC[NH2+]1)c1cc(F)c(Cl)cc1Cl ZINC000418849283 563227066 /nfs/dbraw/zinc/22/70/66/563227066.db2.gz MKKDGZNWEYVVFF-NXEZZACHSA-N 1 0 376.259 2.568 20 0 GFADRO OCCCN1CCC[C@@H]([NH2+]Cc2nc(-c3cccc(Br)c3)c[nH]2)C1 ZINC000295063517 563227639 /nfs/dbraw/zinc/22/76/39/563227639.db2.gz GSBHYAGVQUSLBA-MRXNPFEDSA-N 1 0 393.329 2.776 20 0 GFADRO C[C@@H](NC(=O)C(=O)NCCC1=CC[NH2+]CC1)c1cc(F)c(Cl)cc1Cl ZINC000418856914 563227850 /nfs/dbraw/zinc/22/78/50/563227850.db2.gz XTGLCUINGKJIIM-SNVBAGLBSA-N 1 0 388.270 2.736 20 0 GFADRO C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@H]1CCCN(CCCO)C1 ZINC000295127923 563230446 /nfs/dbraw/zinc/23/04/46/563230446.db2.gz OEAZZIAYCNTZNY-YOEHRIQHSA-N 1 0 398.345 2.603 20 0 GFADRO C[C@H](NC(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1cc(Cl)ccc1Cl ZINC000418951143 563231816 /nfs/dbraw/zinc/23/18/16/563231816.db2.gz HXRDQJJNKQPQEI-KZVDOYCCSA-N 1 0 384.307 2.675 20 0 GFADRO OCC[N@@H+]1CCCC[C@H]1CNc1nc(C(F)(F)F)c(Br)s1 ZINC000418956874 563231820 /nfs/dbraw/zinc/23/18/20/563231820.db2.gz SQIZHNMPYFOVBI-QMMMGPOBSA-N 1 0 388.253 3.183 20 0 GFADRO CC[C@H](NC(=O)C(=O)N(CC[NH3+])Cc1ccccc1)c1ccc(Cl)s1 ZINC000419036420 563232741 /nfs/dbraw/zinc/23/27/41/563232741.db2.gz GUTJFDWAEWZSGV-AWEZNQCLSA-N 1 0 379.913 2.956 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)NCCCc1ccc(Cl)cc1Cl ZINC000419044604 563233040 /nfs/dbraw/zinc/23/30/40/563233040.db2.gz UIMSQXMIMHQKQA-WBMJQRKESA-N 1 0 386.323 2.771 20 0 GFADRO CCCN(C(=O)C(=O)N[C@@H]1CCc2c1ccc(Cl)c2Cl)[C@H]1CC[NH2+]C1 ZINC000419090436 563233072 /nfs/dbraw/zinc/23/30/72/563233072.db2.gz FJYACRDDJXLBPD-XHDPSFHLSA-N 1 0 384.307 2.697 20 0 GFADRO C[C@H](NC(=O)C(=O)N[C@H]1CCc2c1ccc(Cl)c2Cl)[C@@H]1CCC[NH2+]C1 ZINC000419096531 563233246 /nfs/dbraw/zinc/23/32/46/563233246.db2.gz LXKMWEBAEJHFJG-RWSFTLGLSA-N 1 0 384.307 2.601 20 0 GFADRO C[C@H](Cn1cc(Br)cn1)[NH2+][C@H]1CC[C@@H](C(=O)N2CCCCC2)C1 ZINC000370115038 563234211 /nfs/dbraw/zinc/23/42/11/563234211.db2.gz VTBOSRRMMVXOEM-FMKPAKJESA-N 1 0 383.334 2.805 20 0 GFADRO C[C@@H](NC(=O)C(=O)NC[C@@H]1[NH2+]CCCC1(C)C)c1cccc(Br)c1 ZINC000419286068 563235923 /nfs/dbraw/zinc/23/59/23/563235923.db2.gz NSTKXCJIUVMKBB-DOMZBBRYSA-N 1 0 396.329 2.521 20 0 GFADRO C[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000419282132 563236186 /nfs/dbraw/zinc/23/61/86/563236186.db2.gz LRMIDCBVAIVRKB-OLZOCXBDSA-N 1 0 386.323 2.628 20 0 GFADRO C[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)N1CCCC[C@H]1[C@H](C)[NH3+] ZINC000419277465 563236324 /nfs/dbraw/zinc/23/63/24/563236324.db2.gz GNZBKONVEYYELL-WQGACYEGSA-N 1 0 386.323 2.769 20 0 GFADRO C[C@H]([NH3+])C1CCN(C(=O)C(=O)N[C@@H](C)Cc2ccc(Cl)cc2Cl)CC1 ZINC000419293185 563236468 /nfs/dbraw/zinc/23/64/68/563236468.db2.gz YXUUGZNCRCQPEL-RYUDHWBXSA-N 1 0 386.323 2.626 20 0 GFADRO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1Cc1nnc(-c2ccc(Cl)cc2Cl)o1 ZINC000419329643 563237396 /nfs/dbraw/zinc/23/73/96/563237396.db2.gz QCJNSXLCFDNGRY-RYUDHWBXSA-N 1 0 385.295 2.930 20 0 GFADRO COC[C@H](C)OC[C@H](O)C[NH2+][C@@H](C)c1ccc(OC)c(Br)c1 ZINC000278031683 563237472 /nfs/dbraw/zinc/23/74/72/563237472.db2.gz IAYBCZNNZIKQRJ-SGMGOOAPSA-N 1 0 376.291 2.521 20 0 GFADRO CN(CC(C)(C)C[NH3+])C(=O)C(=O)NCC(C)(C)c1ccc(Cl)c(Cl)c1 ZINC000419355083 563238546 /nfs/dbraw/zinc/23/85/46/563238546.db2.gz FRJRQSXSYYLBAL-UHFFFAOYSA-N 1 0 388.339 2.831 20 0 GFADRO Cc1cc(NC(=O)CC[N@@H+](C)C[C@@H](O)c2ccccc2Br)no1 ZINC000295314309 563241659 /nfs/dbraw/zinc/24/16/59/563241659.db2.gz LLHURXKBVKEGCG-CQSZACIVSA-N 1 0 382.258 2.740 20 0 GFADRO Cc1cc(Br)ccc1CC(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000370375268 563241992 /nfs/dbraw/zinc/24/19/92/563241992.db2.gz ROHQQOQOKAAYKJ-KRWDZBQOSA-N 1 0 381.314 2.670 20 0 GFADRO CC(C)[NH+]1CCN([C@H]2CCN(C(=O)Cc3ccc(Br)cc3)C2)CC1 ZINC000370421479 563243558 /nfs/dbraw/zinc/24/35/58/563243558.db2.gz AGVPQMIEFWVFGH-SFHVURJKSA-N 1 0 394.357 2.619 20 0 GFADRO CC(C)(CNC(=O)C(=O)N[C@@H]1CCCC[NH2+]C1)c1c(Cl)cccc1Cl ZINC000419693095 563246263 /nfs/dbraw/zinc/24/62/63/563246263.db2.gz IDSGAVCOVFCDSW-GFCCVEGCSA-N 1 0 386.323 2.646 20 0 GFADRO CC(C)(CNC(=O)C(=O)NC1CCC([NH3+])CC1)c1c(Cl)cccc1Cl ZINC000419694754 563246283 /nfs/dbraw/zinc/24/62/83/563246283.db2.gz LHDUXHYKUSNSJH-UHFFFAOYSA-N 1 0 386.323 2.773 20 0 GFADRO Cc1c2cc(Cl)ccc2sc1CNC(=O)C(=O)N[C@H]1CC[NH2+][C@@H](C)C1 ZINC000419698855 563246996 /nfs/dbraw/zinc/24/69/96/563246996.db2.gz ANCVBZABSIBNPH-GWCFXTLKSA-N 1 0 379.913 2.736 20 0 GFADRO Cc1c(CNC(=O)C(=O)N2CC[C@H]([C@H](C)[NH3+])C2)sc2ccc(Cl)cc12 ZINC000419712625 563247308 /nfs/dbraw/zinc/24/73/08/563247308.db2.gz RFCVVTVMGXASAA-RYUDHWBXSA-N 1 0 379.913 2.675 20 0 GFADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)Cc1cc(Br)ccc1F ZINC000278331243 563250230 /nfs/dbraw/zinc/25/02/30/563250230.db2.gz BDZOTHANIUDVGM-ZDUSSCGKSA-N 1 0 399.304 2.842 20 0 GFADRO CCC[C@H](O)[C@@H](CO)[NH2+]Cc1ccc(OC(F)(F)F)c(Br)c1 ZINC000419834541 563251962 /nfs/dbraw/zinc/25/19/62/563251962.db2.gz XFLIKDLLMKRXMF-NEPJUHHUSA-N 1 0 386.208 2.959 20 0 GFADRO C[C@H]1c2c(Cl)cc(Cl)cc2CCN1C(=O)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000419879631 563252199 /nfs/dbraw/zinc/25/21/99/563252199.db2.gz GRPRNKLAMCDLQN-NWDGAFQWSA-N 1 0 384.307 2.555 20 0 GFADRO COc1ccc(Br)c(CN2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)c1 ZINC000370710614 563253240 /nfs/dbraw/zinc/25/32/40/563253240.db2.gz UKWTUKHLHZWHPF-DNVCBOLYSA-N 1 0 396.373 2.916 20 0 GFADRO C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCN2c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000370721243 563253400 /nfs/dbraw/zinc/25/34/00/563253400.db2.gz GEGPJZWXRHJXKK-DGCLKSJQSA-N 1 0 376.810 2.543 20 0 GFADRO O=C(CCc1cccc(Br)c1)NC[C@@H]1CCC[C@H]1[NH+]1CCOCC1 ZINC000370755958 563254195 /nfs/dbraw/zinc/25/41/95/563254195.db2.gz CNZVUKLEPDNWFG-FUHWJXTLSA-N 1 0 395.341 2.999 20 0 GFADRO CCCN(Cc1ccccc1Br)C(=O)C(=O)N[C@@H](C[NH3+])CC(C)C ZINC000419955548 563254291 /nfs/dbraw/zinc/25/42/91/563254291.db2.gz NMEMPVVTJNNXLB-OAHLLOKOSA-N 1 0 398.345 2.677 20 0 GFADRO C[C@H](CC[NH3+])NC(=O)C(=O)N(Cc1ccccc1Br)C1CCCC1 ZINC000420000974 563256076 /nfs/dbraw/zinc/25/60/76/563256076.db2.gz UURSWKXTPOVSPP-CYBMUJFWSA-N 1 0 396.329 2.574 20 0 GFADRO C[C@@H](NC(=O)Cc1cc[nH]c(=O)c1Br)[C@H](c1ccccc1)[NH+](C)C ZINC000278495293 563258591 /nfs/dbraw/zinc/25/85/91/563258591.db2.gz KFURJWKLNFFKPF-SJKOYZFVSA-N 1 0 392.297 2.900 20 0 GFADRO C[C@H]1CN(C(=O)c2cn3ccc(Br)cc3n2)CC[N@@H+](C2CC2)C1 ZINC000295704429 563258620 /nfs/dbraw/zinc/25/86/20/563258620.db2.gz ORBJTSJSFKCBBT-GFCCVEGCSA-N 1 0 377.286 2.653 20 0 GFADRO CC(C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000420142171 563258813 /nfs/dbraw/zinc/25/88/13/563258813.db2.gz ZYUUJOWAGNQISS-GXTWGEPZSA-N 1 0 386.323 2.987 20 0 GFADRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)N1CCc2cc(Cl)cc(Cl)c2[C@@H]1C ZINC000420110489 563258900 /nfs/dbraw/zinc/25/89/00/563258900.db2.gz ZOWGERBSLJNJDR-ZETOZRRWSA-N 1 0 384.307 2.553 20 0 GFADRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N(Cc1ccc(Cl)c(Cl)c1)C1CC1 ZINC000420125810 563259004 /nfs/dbraw/zinc/25/90/04/563259004.db2.gz TWKZRMFOSLBDBS-BZNIZROVSA-N 1 0 384.307 2.599 20 0 GFADRO Cc1ncc(C[N@@H+]2CC[C@H](NC(=O)CSc3ccncc3)[C@@H](C)C2)s1 ZINC000370947718 563260853 /nfs/dbraw/zinc/26/08/53/563260853.db2.gz NSLIYJACTNVEER-GUYCJALGSA-N 1 0 376.551 2.965 20 0 GFADRO COCCNS(=O)(=O)c1cccc(C[NH2+]C2CCC(CSC)CC2)c1 ZINC000295774175 563261746 /nfs/dbraw/zinc/26/17/46/563261746.db2.gz QYVXWSIWSWXRDJ-UHFFFAOYSA-N 1 0 386.583 2.623 20 0 GFADRO C[C@H]1CCN(CC(=O)Nc2c(F)cc(F)cc2Br)C[C@H]1C[NH3+] ZINC000420395904 563262815 /nfs/dbraw/zinc/26/28/15/563262815.db2.gz DTHRZNBETXEWFA-VHSXEESVSA-N 1 0 376.245 2.583 20 0 GFADRO [NH3+]C[C@@H](NCCS(=O)(=O)c1ccc(Br)cc1)C1CCCCC1 ZINC000420361228 563262855 /nfs/dbraw/zinc/26/28/55/563262855.db2.gz MXWFWWMJVHRBJQ-MRXNPFEDSA-N 1 0 389.359 2.720 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+]C[C@@]1(O)CCO[C@H]1C ZINC000278624347 563263428 /nfs/dbraw/zinc/26/34/28/563263428.db2.gz KBSJAHGBVGCJIT-GUYCJALGSA-N 1 0 380.286 2.573 20 0 GFADRO Cc1cc(Br)c(S(=O)(=O)N2CCCC[C@H]2[C@@H]2CC[NH2+]C2)s1 ZINC000420457274 563264279 /nfs/dbraw/zinc/26/42/79/563264279.db2.gz HUASINFOWHUIMW-YPMHNXCESA-N 1 0 393.372 2.972 20 0 GFADRO Cc1cc(S(=O)(=O)N2CCCC[C@@H]2[C@H]2CC[NH2+]C2)sc1Br ZINC000420460390 563264437 /nfs/dbraw/zinc/26/44/37/563264437.db2.gz KXVVZWKPJDFOOC-NWDGAFQWSA-N 1 0 393.372 2.972 20 0 GFADRO COC[C@H]([NH2+][C@@H](C)C(=O)Nc1ccc(C)cc1Br)[C@H]1CCCO1 ZINC000278769857 563269479 /nfs/dbraw/zinc/26/94/79/563269479.db2.gz NPWVLTFESMWQKD-VBNZEHGJSA-N 1 0 385.302 2.868 20 0 GFADRO O=S(=O)(c1cccs1)N1CCC([NH2+][C@@H](CCO)C2CCCCC2)CC1 ZINC000371252236 563269730 /nfs/dbraw/zinc/26/97/30/563269730.db2.gz UMHFYNZFCQYQGQ-KRWDZBQOSA-N 1 0 386.583 2.822 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]C[C@](C)(OC)C1CC1 ZINC000296047793 563272005 /nfs/dbraw/zinc/27/20/05/563272005.db2.gz OIQOFUMSRLIACF-SGTLLEGYSA-N 1 0 399.329 2.867 20 0 GFADRO Cc1cc(NC(=O)C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc(C)c1Br ZINC000296043565 563272063 /nfs/dbraw/zinc/27/20/63/563272063.db2.gz BDPUABBKZXDUHE-GOOCMWNKSA-N 1 0 394.313 2.746 20 0 GFADRO NC(=O)NC(=O)OCCC[NH+]1CCC(c2nc(C(F)(F)F)cs2)CC1 ZINC000296050487 563272836 /nfs/dbraw/zinc/27/28/36/563272836.db2.gz AYFPZXWHWPMDCJ-UHFFFAOYSA-N 1 0 380.392 2.536 20 0 GFADRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2S(=O)(=O)c2cc(F)ccc2OC(F)F)C1 ZINC000420686888 563273730 /nfs/dbraw/zinc/27/37/30/563273730.db2.gz CNJNKLLMFCJBHM-WCQYABFASA-N 1 0 378.416 2.532 20 0 GFADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)Nc1cccnc1Br ZINC000278892621 563275361 /nfs/dbraw/zinc/27/53/61/563275361.db2.gz QNRFBVIYLBYORQ-LBPRGKRZSA-N 1 0 383.290 2.561 20 0 GFADRO O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1cc(F)ccc1I ZINC000371483213 563279229 /nfs/dbraw/zinc/27/92/29/563279229.db2.gz VBJIQELTUBAVNZ-RYUDHWBXSA-N 1 0 388.224 2.787 20 0 GFADRO Cc1nc(C2CC[NH+](C[C@H](O)COc3cccc(Br)c3)CC2)no1 ZINC000371489016 563279279 /nfs/dbraw/zinc/27/92/79/563279279.db2.gz YBYUUXAJFKUESP-HNNXBMFYSA-N 1 0 396.285 2.760 20 0 GFADRO Cc1ncsc1CCS(=O)(=O)N[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000296223964 563279494 /nfs/dbraw/zinc/27/94/94/563279494.db2.gz KGSYOYXDCWFCRH-PBHICJAKSA-N 1 0 379.551 2.576 20 0 GFADRO CCCNC(=O)CN1CCC([NH2+]Cc2cccc(Br)c2F)CC1 ZINC000296261585 563281247 /nfs/dbraw/zinc/28/12/47/563281247.db2.gz DJOHJKMKNSBWGJ-UHFFFAOYSA-N 1 0 386.309 2.668 20 0 GFADRO COC[C@H]([NH2+]CC(=O)N(C)Cc1ccc(Cl)c(Cl)c1)[C@@H]1CCCO1 ZINC000279042574 563281618 /nfs/dbraw/zinc/28/16/18/563281618.db2.gz JMIWVJYLZFFNGB-HOTGVXAUSA-N 1 0 375.296 2.735 20 0 GFADRO Cc1cc(S(=O)(=O)N(C)C[C@@H]2CCC[N@@H+]2C)c(F)cc1Br ZINC000420739538 563281841 /nfs/dbraw/zinc/28/18/41/563281841.db2.gz PYFBEFXTYRMITP-NSHDSACASA-N 1 0 379.295 2.611 20 0 GFADRO CN(Cc1c(F)cccc1Cl)S(=O)(=O)NC1CCC([NH+](C)C)CC1 ZINC000420750302 563282990 /nfs/dbraw/zinc/28/29/90/563282990.db2.gz UESSGOPYHJBYNO-UHFFFAOYSA-N 1 0 377.913 2.618 20 0 GFADRO COc1cccc(CS(=O)(=O)NC2CC[NH+](Cc3cccs3)CC2)c1 ZINC000371714550 563285179 /nfs/dbraw/zinc/28/51/79/563285179.db2.gz LEDKECALUOTXAP-UHFFFAOYSA-N 1 0 380.535 2.841 20 0 GFADRO CCc1n[nH]c(C(=O)NCc2ccc(F)c(C[NH+](C)C)c2)c1Br ZINC000279120423 563285194 /nfs/dbraw/zinc/28/51/94/563285194.db2.gz WABSKZSZNRVMCL-UHFFFAOYSA-N 1 0 383.265 2.865 20 0 GFADRO O=S1(=O)CC[C@@](O)(C[NH2+][C@H](c2ccc(F)cc2)c2ccc(Cl)cc2)C1 ZINC000296367682 563285341 /nfs/dbraw/zinc/28/53/41/563285341.db2.gz JCIYVQTYBDYVID-ZWKOTPCHSA-N 1 0 383.872 2.708 20 0 GFADRO Cc1nn(C)c(C[NH2+]C2CCC(O)(c3cccnc3)CC2)c1Br ZINC000279139513 563285634 /nfs/dbraw/zinc/28/56/34/563285634.db2.gz NRTZWVZMXPUPQT-UHFFFAOYSA-N 1 0 379.302 2.806 20 0 GFADRO Cc1csc(CNC(=O)N[C@@H]2CC[N@@H+](Cc3cnc(C)s3)C[C@@H]2C)n1 ZINC000371741756 563286810 /nfs/dbraw/zinc/28/68/10/563286810.db2.gz NPMHNAVWTJCAKU-XHDPSFHLSA-N 1 0 379.555 2.926 20 0 GFADRO CCO[C@H](CC[NH+](C)C)CNC(=O)c1c(F)ccc(C)c1Br ZINC000279218889 563287839 /nfs/dbraw/zinc/28/78/39/563287839.db2.gz QCDKJZZEVGPPMW-GFCCVEGCSA-N 1 0 375.282 2.983 20 0 GFADRO C[C@H]([NH2+]C[C@@]1(O)CCS(=O)(=O)C1)c1ccc(SCC(F)(F)F)cc1 ZINC000296450563 563287916 /nfs/dbraw/zinc/28/79/16/563287916.db2.gz MSBCDPSTJXBSHN-FZMZJTMJSA-N 1 0 383.457 2.541 20 0 GFADRO CC[C@H](CNS(C)(=O)=O)[NH2+][C@H](C)c1ccc(SC(F)F)c(OC)c1 ZINC000296549534 563292092 /nfs/dbraw/zinc/29/20/92/563292092.db2.gz RKJMCFFXPXRORU-ZYHUDNBSSA-N 1 0 382.498 2.988 20 0 GFADRO CNC(=O)[C@@H]1CC[N@H+](CC(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000420980345 563292902 /nfs/dbraw/zinc/29/29/02/563292902.db2.gz UPZYNMJZHXEPQC-CJNGLKHVSA-N 1 0 384.307 2.725 20 0 GFADRO COc1sc(C[NH2+][C@@H]2CCCc3c2cnn3CCO)cc1Br ZINC000372191790 563298695 /nfs/dbraw/zinc/29/86/95/563298695.db2.gz OQXMPQKMTVDTHI-CYBMUJFWSA-N 1 0 386.315 2.875 20 0 GFADRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)Nc1nnc2ccc(Br)cn21 ZINC000296736137 563299860 /nfs/dbraw/zinc/29/98/60/563299860.db2.gz HAJHPBUPGAKCIL-WCQYABFASA-N 1 0 393.289 2.582 20 0 GFADRO C[C@@H]1CN(C(=O)c2ccc(Br)cc2F)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000372364482 563303490 /nfs/dbraw/zinc/30/34/90/563303490.db2.gz FYGXGTLFNNPGFW-DYVFJYSZSA-N 1 0 398.320 2.686 20 0 GFADRO Cc1c(Br)ccc(C(=O)N[C@@H](C)CC[NH+]2CCN(C)CC2)c1F ZINC000279635435 563304136 /nfs/dbraw/zinc/30/41/36/563304136.db2.gz CCUUVWNXAOTPCB-LBPRGKRZSA-N 1 0 386.309 2.652 20 0 GFADRO COCCOC[C@@H](O)C[NH+]1CCC(OCc2ccc(Cl)c(Cl)c2)CC1 ZINC000296855157 563304846 /nfs/dbraw/zinc/30/48/46/563304846.db2.gz UOXDSXYPQOXLCN-HNNXBMFYSA-N 1 0 392.323 2.998 20 0 GFADRO O=C(NCC1(c2cccc(Br)c2)CCOCC1)[C@H]1C[C@]12CC[NH2+]C2 ZINC000372429996 563306178 /nfs/dbraw/zinc/30/61/78/563306178.db2.gz CRMYXZUBPIOEOE-APWZRJJASA-N 1 0 393.325 2.613 20 0 GFADRO O=C(NCC1(c2cccc(Br)c2)CCOCC1)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000372429997 563306412 /nfs/dbraw/zinc/30/64/12/563306412.db2.gz CRMYXZUBPIOEOE-LPHOPBHVSA-N 1 0 393.325 2.613 20 0 GFADRO CCCN1C[C@H](C[NH2+]Cc2cn(-c3ccc(Cl)cc3Cl)nn2)CC1=O ZINC000421348172 563307879 /nfs/dbraw/zinc/30/78/79/563307879.db2.gz GNLBCZTXAQKJAZ-LBPRGKRZSA-N 1 0 382.295 2.922 20 0 GFADRO C[C@@H]1C[C@H](CO)C[N@H+](Cc2ccc(Br)cc2N2CCOCC2)C1 ZINC000421362953 563308623 /nfs/dbraw/zinc/30/86/23/563308623.db2.gz OMAWCTGCHVRFSM-CABCVRRESA-N 1 0 383.330 2.736 20 0 GFADRO Cc1c(Br)scc1C(=O)N1CCC[N@H+](CC(C)(C)O)CC1 ZINC000372556725 563310336 /nfs/dbraw/zinc/31/03/36/563310336.db2.gz XTKIMTCWXVDEGD-UHFFFAOYSA-N 1 0 375.332 2.738 20 0 GFADRO CN(Cc1nc(C(F)(F)F)cs1)C(=O)[C@]1([NH3+])[C@@H]2CCCO[C@@H]2C1(C)C ZINC000372576755 563310748 /nfs/dbraw/zinc/31/07/48/563310748.db2.gz MBDMLYRIWARLDH-MURWCNHISA-N 1 0 377.432 2.653 20 0 GFADRO CC[C@H](C)[NH+]1CCN(C(=O)Nc2cccc(C(=O)NC)c2Br)CC1 ZINC000297000411 563312196 /nfs/dbraw/zinc/31/21/96/563312196.db2.gz KDIDZVRVFWZARA-LBPRGKRZSA-N 1 0 397.317 2.757 20 0 GFADRO O=C(CC1CC[NH2+]CC1)N1CCN(C(=O)c2cc3sccc3s2)CC1 ZINC000372771508 563316560 /nfs/dbraw/zinc/31/65/60/563316560.db2.gz ZKAKTMJAARWRFV-UHFFFAOYSA-N 1 0 377.535 2.637 20 0 GFADRO Cc1cc(F)c(Br)cc1NC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000372773841 563317342 /nfs/dbraw/zinc/31/73/42/563317342.db2.gz WFNWHIFGXGMSFH-NEPJUHHUSA-N 1 0 398.276 2.578 20 0 GFADRO CC1(C)C[C@@H]([NH2+]CCOCCS(C)(=O)=O)c2cc(Br)ccc21 ZINC000280009277 563319022 /nfs/dbraw/zinc/31/90/22/563319022.db2.gz GOYTWSWXHGIRLL-OAHLLOKOSA-N 1 0 390.343 2.822 20 0 GFADRO O=C(CC[N@@H+]1CCCC[C@H]1[C@@H]1CNC(=O)C1)Nc1cccc(Br)c1 ZINC000372854102 563319232 /nfs/dbraw/zinc/31/92/32/563319232.db2.gz CNBKJSWOOPJEBL-BBRMVZONSA-N 1 0 394.313 2.768 20 0 GFADRO Cn1c(SCC(=O)NC2CCC([NH+](C)C)CC2)nnc1-c1cccs1 ZINC000421685754 563319602 /nfs/dbraw/zinc/31/96/02/563319602.db2.gz VMVWOMWGDWRPLD-UHFFFAOYSA-N 1 0 379.555 2.625 20 0 GFADRO C[NH+](C)C1CCC(NC(=O)CCNC(=O)c2ccc(Br)cc2)CC1 ZINC000421685562 563319827 /nfs/dbraw/zinc/31/98/27/563319827.db2.gz SQXBHJQPWLXMJH-UHFFFAOYSA-N 1 0 396.329 2.558 20 0 GFADRO C[C@H]([NH2+]CCCn1cccn1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000280060453 563321190 /nfs/dbraw/zinc/32/11/90/563321190.db2.gz KIHYNGDLKYPUPT-JTQLQIEISA-N 1 0 377.297 2.578 20 0 GFADRO C[C@H](NC[C@H]1CC[N@@H+](C2CC2)C1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000280095534 563322374 /nfs/dbraw/zinc/32/23/74/563322374.db2.gz MSWDXMKDOCKDJB-WDEREUQCSA-N 1 0 392.352 2.776 20 0 GFADRO OCc1cn(CCC[NH2+][C@H](Cc2ccccc2Br)C2CC2)nn1 ZINC000297293678 563322883 /nfs/dbraw/zinc/32/28/83/563322883.db2.gz LYZXIYVHIHUHHN-QGZVFWFLSA-N 1 0 379.302 2.534 20 0 GFADRO C[C@H](CC(=O)N(C)C)[NH2+][C@H](CO)c1ccc(Br)cc1C(F)(F)F ZINC000280166720 563325007 /nfs/dbraw/zinc/32/50/07/563325007.db2.gz FSGGSLBHQOSRNE-NOZJJQNGSA-N 1 0 397.235 2.958 20 0 GFADRO COc1ccc(Br)c(C(=O)NCCC[NH2+][C@H]2CCn3ccnc32)c1 ZINC000297521754 563328100 /nfs/dbraw/zinc/32/81/00/563328100.db2.gz DCNLVARXZBQEJT-HNNXBMFYSA-N 1 0 393.285 2.509 20 0 GFADRO O=C(CNC(=O)C[N@@H+]1CCCC12CCC2)Nc1ccccc1Br ZINC000373100291 563328505 /nfs/dbraw/zinc/32/85/05/563328505.db2.gz RJFKUTUHWJMVQY-UHFFFAOYSA-N 1 0 380.286 2.522 20 0 GFADRO C[C@@H](NC1CC[NH+](C2CC2)CC1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000280249487 563329373 /nfs/dbraw/zinc/32/93/73/563329373.db2.gz WLTVPMQHUGTBFD-SNVBAGLBSA-N 1 0 392.352 2.918 20 0 GFADRO OC[C@H](C[NH2+]Cc1ccc(Br)c(Br)c1)[C@@H]1CCOC1 ZINC000280280165 563330646 /nfs/dbraw/zinc/33/06/46/563330646.db2.gz LOGXEDYJAFDUIT-NEPJUHHUSA-N 1 0 393.119 2.946 20 0 GFADRO C[C@H]([NH2+]CC1(O)CCCCC1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000280291856 563331042 /nfs/dbraw/zinc/33/10/42/563331042.db2.gz ZGWFZYAEOMNOAB-JTQLQIEISA-N 1 0 381.325 2.987 20 0 GFADRO CN(C)CC[N@H+](C)CCCN(C)C(=O)Nc1cc(F)ccc1Br ZINC000297667880 563332644 /nfs/dbraw/zinc/33/26/44/563332644.db2.gz OIUXYPGJXGPIBF-UHFFFAOYSA-N 1 0 389.313 2.935 20 0 GFADRO C[C@H](CC[S@](C)=O)[NH2+]Cc1c(F)ccc(I)c1F ZINC000280355308 563333068 /nfs/dbraw/zinc/33/30/68/563333068.db2.gz RPCHZXFERIMONH-CVJBHZAOSA-N 1 0 387.233 2.816 20 0 GFADRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NCCc2cc(Cl)cc(Cl)c2)C1 ZINC000422269243 563335130 /nfs/dbraw/zinc/33/51/30/563335130.db2.gz LQDLPBJOGIMRPO-MRXNPFEDSA-N 1 0 386.323 2.593 20 0 GFADRO Cc1nc(NC(=O)N2CCC[N@@H+](C3CCOCC3)CC2)ccc1Br ZINC000373452133 563338699 /nfs/dbraw/zinc/33/86/99/563338699.db2.gz JAGNEBLNFURAOF-UHFFFAOYSA-N 1 0 397.317 2.871 20 0 GFADRO C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1 ZINC000280478123 563339137 /nfs/dbraw/zinc/33/91/37/563339137.db2.gz GBZGDRJZSSIFFV-DETPVDSQSA-N 1 0 385.277 2.529 20 0 GFADRO CN(Cc1ccc(Cl)s1)C(=O)C(=O)N(CC[NH+](C)C)Cc1ccco1 ZINC000297968402 563340746 /nfs/dbraw/zinc/34/07/46/563340746.db2.gz HGYGNERIXOFGPV-UHFFFAOYSA-N 1 0 383.901 2.543 20 0 GFADRO O=C(Cc1ccc(F)cc1Br)NC[C@H]1CCC[C@H]1[NH+]1CCOCC1 ZINC000373596211 563343074 /nfs/dbraw/zinc/34/30/74/563343074.db2.gz KRQPRCROSIOYIK-RHSMWYFYSA-N 1 0 399.304 2.748 20 0 GFADRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)N(C)Cc1ccc(Cl)c(Cl)c1 ZINC000298062868 563343362 /nfs/dbraw/zinc/34/33/62/563343362.db2.gz RPARGHBZKSICDK-BLLLJJGKSA-N 1 0 386.323 2.750 20 0 GFADRO O=C(Cc1ccc(F)cc1Br)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000373610377 563343612 /nfs/dbraw/zinc/34/36/12/563343612.db2.gz QQVUYBVQERMBDV-OAHLLOKOSA-N 1 0 385.277 2.500 20 0 GFADRO CCOc1cc(C[NH2+]CCc2cccc(C(N)=O)c2)cc(Br)c1O ZINC000298266687 563349809 /nfs/dbraw/zinc/34/98/09/563349809.db2.gz GCMTVXWVCCOTOQ-UHFFFAOYSA-N 1 0 393.281 2.985 20 0 GFADRO CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)[C@H]([NH3+])C1CCC1 ZINC000422924036 563350572 /nfs/dbraw/zinc/35/05/72/563350572.db2.gz AKEGNMQQHINODI-CQSZACIVSA-N 1 0 377.794 2.883 20 0 GFADRO CC[C@H](NCCC(=O)N(C)Cc1ccccc1Br)[C@@H]1CCC[NH2+]1 ZINC000422909230 563350719 /nfs/dbraw/zinc/35/07/19/563350719.db2.gz NRHILNSGXAMXKF-IRXDYDNUSA-N 1 0 382.346 2.918 20 0 GFADRO C[NH+](C)[C@H]1CCCN(C(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)CC1 ZINC000373794879 563351178 /nfs/dbraw/zinc/35/11/78/563351178.db2.gz JWHFWEIFOZNPEJ-ZDUSSCGKSA-N 1 0 375.441 2.631 20 0 GFADRO C[C@H](NCc1ccc(Br)cc1N1CCOCC1)c1c[nH+]ccc1N ZINC000422995446 563352291 /nfs/dbraw/zinc/35/22/91/563352291.db2.gz YAWZPKNJSOACRC-ZDUSSCGKSA-N 1 0 391.313 2.944 20 0 GFADRO CN(Cc1cccc(Br)c1)C(=O)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000423002321 563352576 /nfs/dbraw/zinc/35/25/76/563352576.db2.gz FTPOPQBXPCMSFO-INIZCTEOSA-N 1 0 377.286 2.842 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N(Cc2cccs2)Cc2cccs2)C1 ZINC000423018302 563352995 /nfs/dbraw/zinc/35/29/95/563352995.db2.gz QSFYRHRLLXEBPL-KBPBESRZSA-N 1 0 377.535 2.534 20 0 GFADRO CCOC(=O)[C@@H]1NCC[C@@H]1[NH2+][C@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000423045559 563353190 /nfs/dbraw/zinc/35/31/90/563353190.db2.gz CEMJKPBUMKMSGB-HRCADAONSA-N 1 0 385.277 2.923 20 0 GFADRO C[C@@H]([NH2+]CCOc1ccccc1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000280774026 563353348 /nfs/dbraw/zinc/35/33/48/563353348.db2.gz RSYGBTDEQAVTOE-GFCCVEGCSA-N 1 0 399.310 2.826 20 0 GFADRO Brc1ccc2[nH]cc(CC[NH2+][C@@H](C3CC3)[C@H]3CNCCO3)c2c1 ZINC000423034257 563353411 /nfs/dbraw/zinc/35/34/11/563353411.db2.gz PQSCFEDZNQDMBD-MSOLQXFVSA-N 1 0 378.314 2.830 20 0 GFADRO COC[C@@]1(C(=O)NCC2(c3ccc(Br)cc3)CCC2)CC[NH2+]C1 ZINC000423058887 563353779 /nfs/dbraw/zinc/35/37/79/563353779.db2.gz KOFJZZNMCCHVEQ-GOSISDBHSA-N 1 0 381.314 2.613 20 0 GFADRO Cc1noc(Cl)c1CC(=O)NC[C@H]1CSCCN1Cc1ccccc1 ZINC000373879832 563354019 /nfs/dbraw/zinc/35/40/19/563354019.db2.gz CVNQKQONGIFFCJ-HNNXBMFYSA-N 1 0 379.913 2.913 20 0 GFADRO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N[C@@H](C)c1ccc(Br)cn1 ZINC000280788006 563354232 /nfs/dbraw/zinc/35/42/32/563354232.db2.gz HIRDOWATTGRJQC-BLLLJJGKSA-N 1 0 384.318 2.815 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000423092205 563354426 /nfs/dbraw/zinc/35/44/26/563354426.db2.gz AXMMKNBEJQUJOS-RBOXIYTFSA-N 1 0 384.307 2.853 20 0 GFADRO CC(C)[C@@H](CNC(=O)Nc1ccc(Br)cc1)[NH+]1CCN(C)CC1 ZINC000298430637 563355116 /nfs/dbraw/zinc/35/51/16/563355116.db2.gz ZOQYBANDQAEVIM-MRXNPFEDSA-N 1 0 383.334 2.843 20 0 GFADRO CCN(Cc1cccc(Br)c1)C(=O)C(=O)N(C)CC[C@H]([NH3+])C(C)C ZINC000423108488 563355547 /nfs/dbraw/zinc/35/55/47/563355547.db2.gz SZMFIIAGINDNJT-INIZCTEOSA-N 1 0 398.345 2.629 20 0 GFADRO Cc1cc(Cl)ccc1S(=O)(=O)NCCN[C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000423099418 563355693 /nfs/dbraw/zinc/35/56/93/563355693.db2.gz AIUNPHUJYXJVMG-SJORKVTESA-N 1 0 379.913 2.661 20 0 GFADRO C[C@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000423110729 563356121 /nfs/dbraw/zinc/35/61/21/563356121.db2.gz ILJKODHVJUPLHT-AXAPSJFSSA-N 1 0 384.307 2.723 20 0 GFADRO C[C@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000423116527 563356246 /nfs/dbraw/zinc/35/62/46/563356246.db2.gz QFJVWNAEZDNBTH-BNOWGMLFSA-N 1 0 384.307 2.866 20 0 GFADRO COc1ccc(Br)c(C(=O)N2CCC([N@@H+]3CCO[C@H](C)C3)CC2)c1 ZINC000373947931 563356276 /nfs/dbraw/zinc/35/62/76/563356276.db2.gz ZDNJJQTVCCDFBC-CYBMUJFWSA-N 1 0 397.313 2.783 20 0 GFADRO O=C(Cc1cc2c(cc1Br)OCCO2)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000373937329 563356382 /nfs/dbraw/zinc/35/63/82/563356382.db2.gz KFEKPBAGESALIR-KBPBESRZSA-N 1 0 395.297 2.506 20 0 GFADRO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000423161765 563357670 /nfs/dbraw/zinc/35/76/70/563357670.db2.gz SHEMESYHHQAABI-GOSISDBHSA-N 1 0 384.307 2.554 20 0 GFADRO CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000423175522 563358777 /nfs/dbraw/zinc/35/87/77/563358777.db2.gz DWVNWMKKYCMXFP-HEHGZKQESA-N 1 0 384.307 2.538 20 0 GFADRO O=C(CC[N@@H+]1CCC[C@@H](c2nnc[nH]2)C1)Nc1ccc(Br)cc1F ZINC000374052264 563359972 /nfs/dbraw/zinc/35/99/72/563359972.db2.gz UVHZOCINWLRVIZ-LLVKDONJSA-N 1 0 396.264 2.915 20 0 GFADRO C[C@H](NC[C@@]1(C)CCC[NH2+]C1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000423351819 563360145 /nfs/dbraw/zinc/36/01/45/563360145.db2.gz ZRJXXYWGHLRAOU-BONVTDFDSA-N 1 0 380.341 2.681 20 0 GFADRO O[C@H](COc1cc(Cl)ccc1Cl)C[N@@H+]1CCC[C@@H]1[C@@H]1COCC[C@H]1O ZINC000374075291 563360601 /nfs/dbraw/zinc/36/06/01/563360601.db2.gz RUZVMIHGTKWREI-XJNFMUPTSA-N 1 0 390.307 2.595 20 0 GFADRO Cc1cc(N)cc(C[NH2+][C@@H](C)c2ccc(Br)c(S(N)(=O)=O)c2)c1 ZINC000423467837 563361538 /nfs/dbraw/zinc/36/15/38/563361538.db2.gz AXIQJWMRICWNDP-NSHDSACASA-N 1 0 398.326 2.838 20 0 GFADRO CN1CC[NH2+]C[C@@H]1CN[C@H](c1ccc(Br)o1)c1ccc(F)cc1 ZINC000423521478 563361876 /nfs/dbraw/zinc/36/18/76/563361876.db2.gz QTUVMYWDRPKVIX-PBHICJAKSA-N 1 0 382.277 2.764 20 0 GFADRO O=C(Nc1cc(Cl)ccc1C(F)(F)F)C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000423548378 563362121 /nfs/dbraw/zinc/36/21/21/563362121.db2.gz CZKRFDRDFOTHOS-UHFFFAOYSA-N 1 0 375.778 2.652 20 0 GFADRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)c1cc(I)cc(C(F)(F)F)c1 ZINC000423660139 563362870 /nfs/dbraw/zinc/36/28/70/563362870.db2.gz FXBMFCOMJCPTPB-CPCISQLKSA-N 1 0 398.166 2.872 20 0 GFADRO CN(CCOc1ccc(Br)cc1)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000298678627 563363090 /nfs/dbraw/zinc/36/30/90/563363090.db2.gz NQWKEATVMOCBOH-CQSZACIVSA-N 1 0 396.329 2.954 20 0 GFADRO [NH3+][C@H](C(=O)NCc1cc(Br)ccc1Br)C1CCC1 ZINC000423755952 563363477 /nfs/dbraw/zinc/36/34/77/563363477.db2.gz KIJMLIPIXGYMQZ-LBPRGKRZSA-N 1 0 376.092 2.955 20 0 GFADRO C[C@@H]([NH2+]CC1([S@](C)=O)CCC1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000281007315 563363644 /nfs/dbraw/zinc/36/36/44/563363644.db2.gz LDOFDNHYTWGDQP-CLTRCRFRSA-N 1 0 399.365 2.593 20 0 GFADRO [NH3+]C[C@H](NC(=O)[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)C1CCCC1 ZINC000423935480 563364329 /nfs/dbraw/zinc/36/43/29/563364329.db2.gz AGNZZJFVSZZPNC-CJNGLKHVSA-N 1 0 384.307 2.980 20 0 GFADRO CCCCC(=O)N1CSC[C@@H]1C(=O)Nc1ncc(C2CC[NH2+]CC2)s1 ZINC000423946819 563364747 /nfs/dbraw/zinc/36/47/47/563364747.db2.gz JXSXWNKNXRUMHU-CYBMUJFWSA-N 1 0 382.555 2.640 20 0 GFADRO Cc1ccc(Br)cc1C(=O)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000423945956 563364905 /nfs/dbraw/zinc/36/49/05/563364905.db2.gz HTKNTYLRSZRQQC-UHFFFAOYSA-N 1 0 380.330 2.704 20 0 GFADRO CN(C(=O)c1cc(I)ccc1Cl)[C@@H](C[NH3+])C1CC1 ZINC000423943443 563364956 /nfs/dbraw/zinc/36/49/56/563364956.db2.gz GHZFDLNUQCBDLK-LBPRGKRZSA-N 1 0 378.641 2.754 20 0 GFADRO CNC(=O)[C@@]1(C)CC[N@H+](Cc2nc(-c3ccc(Br)cc3)c[nH]2)C1 ZINC000281078405 563365560 /nfs/dbraw/zinc/36/55/60/563365560.db2.gz JBVOQQMLVDCYHY-KRWDZBQOSA-N 1 0 377.286 2.797 20 0 GFADRO Cc1c(C(=O)N(C)[C@H](C[NH3+])C2CC2)cnn1-c1ccc(Br)cc1 ZINC000423965753 563365666 /nfs/dbraw/zinc/36/56/66/563365666.db2.gz YLNIEBVCPWCKAX-MRXNPFEDSA-N 1 0 377.286 2.753 20 0 GFADRO C[C@@H]1CN(C(=O)c2cc(F)c(F)cc2I)C[C@@]1(C)C[NH3+] ZINC000423987575 563366341 /nfs/dbraw/zinc/36/63/41/563366341.db2.gz WGZCKXXGBYJEQS-XLKFXECMSA-N 1 0 394.203 2.626 20 0 GFADRO Cc1sc2nc(CS[C@@H](C)C(=O)N3CC[C@H]([NH3+])[C@@H]3C)[nH]c(=O)c2c1C ZINC000423976347 563366541 /nfs/dbraw/zinc/36/65/41/563366541.db2.gz QEYQYZFNWCPSCC-DLOVCJGASA-N 1 0 380.539 2.584 20 0 GFADRO [NH3+]Cc1cn([C@@H]2CCCN(C(=O)CCc3ccc(Cl)c(Cl)c3)C2)nn1 ZINC000423994723 563366614 /nfs/dbraw/zinc/36/66/14/563366614.db2.gz CRPWXTPPGPMVKS-CQSZACIVSA-N 1 0 382.295 2.840 20 0 GFADRO Cc1cc(C(=O)N2CCC[C@@H](n3cc(C[NH3+])nn3)C2)c(C)cc1Br ZINC000424008826 563367170 /nfs/dbraw/zinc/36/71/70/563367170.db2.gz XCKFMQOMETZWTC-CQSZACIVSA-N 1 0 392.301 2.593 20 0 GFADRO [NH3+]Cc1cn([C@H]2CCCN(C(=O)CCc3ccc(Cl)cc3Cl)C2)nn1 ZINC000424006524 563367304 /nfs/dbraw/zinc/36/73/04/563367304.db2.gz UBUUVCPEHQZIHV-HNNXBMFYSA-N 1 0 382.295 2.840 20 0 GFADRO CN(Cc1ccc(F)cc1)C(=O)C[NH2+][C@@H](CO)c1ccc(Br)cc1 ZINC000298820812 563367421 /nfs/dbraw/zinc/36/74/21/563367421.db2.gz FZWLIFHYSYARFA-KRWDZBQOSA-N 1 0 395.272 2.870 20 0 GFADRO C[S@@](=O)C[C@@H]([NH2+]CCC(=O)N1CCc2sccc2C1)c1ccccc1 ZINC000298830751 563367606 /nfs/dbraw/zinc/36/76/06/563367606.db2.gz HDTNCDGBLDEHCU-CRICUBBOSA-N 1 0 376.547 2.732 20 0 GFADRO C[C@@H]1CCN(C(=O)c2cnn(-c3ccc(Br)cc3)c2)C[C@@H]1C[NH3+] ZINC000424024528 563368067 /nfs/dbraw/zinc/36/80/67/563368067.db2.gz WDLANZCKGFFFGZ-OLZOCXBDSA-N 1 0 377.286 2.692 20 0 GFADRO C[C@H]([NH2+][C@@H](C)[C@@H]1CCCCO1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000281249179 563371141 /nfs/dbraw/zinc/37/11/41/563371141.db2.gz XCBDIAHLZIMLSC-MJVIPROJSA-N 1 0 391.331 2.705 20 0 GFADRO CN(C)c1ncc(Br)cc1C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000374426791 563371830 /nfs/dbraw/zinc/37/18/30/563371830.db2.gz GBMKFEDBHXVLOJ-HNNXBMFYSA-N 1 0 381.318 2.514 20 0 GFADRO CCOc1cc(C[NH2+]CCCCS(C)(=O)=O)cc(Br)c1OC ZINC000424173340 563372495 /nfs/dbraw/zinc/37/24/95/563372495.db2.gz PKGKSXYTWHFPCN-UHFFFAOYSA-N 1 0 394.331 2.771 20 0 GFADRO CN1CC[C@H](C[NH2+]Cc2c(Br)cncc2Br)CC1=O ZINC000424193061 563372947 /nfs/dbraw/zinc/37/29/47/563372947.db2.gz UWFNHHYLQZQQPJ-VIFPVBQESA-N 1 0 391.107 2.565 20 0 GFADRO CN1C(=O)CC[C@H]([NH2+]Cc2ccc(-c3cccc(Br)c3)o2)C1=O ZINC000424204794 563373026 /nfs/dbraw/zinc/37/30/26/563373026.db2.gz METMRLQXZXMWNE-AWEZNQCLSA-N 1 0 377.238 2.946 20 0 GFADRO Brc1cccc(-c2noc(-c3cn([C@@H]4CCC[NH2+]C4)nn3)n2)c1 ZINC000424341308 563375879 /nfs/dbraw/zinc/37/58/79/563375879.db2.gz UUWCDYKKGOWXED-GFCCVEGCSA-N 1 0 375.230 2.682 20 0 GFADRO O=S1(=O)CCC[C@H]([NH2+]Cc2cc(Cl)cc(I)c2)C1 ZINC000424303528 563375932 /nfs/dbraw/zinc/37/59/32/563375932.db2.gz ZZFCIRUQAJEAOK-LBPRGKRZSA-N 1 0 399.681 2.611 20 0 GFADRO C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]C[C@H]1CCN(C)C(=O)C1 ZINC000424332231 563376215 /nfs/dbraw/zinc/37/62/15/563376215.db2.gz UVOBBYQPVCYZLX-STQMWFEESA-N 1 0 382.302 2.624 20 0 GFADRO COC(=O)CC1CC([NH2+]CCc2cn3cc(Br)cc(C)c3n2)C1 ZINC000424287623 563376239 /nfs/dbraw/zinc/37/62/39/563376239.db2.gz XXVPKAGQVYMXKE-UHFFFAOYSA-N 1 0 380.286 2.879 20 0 GFADRO C[C@@H]1CC2(CN1S(=O)(=O)c1ccc(C(F)(F)F)cc1F)CC[NH2+]CC2 ZINC000424386247 563377093 /nfs/dbraw/zinc/37/70/93/563377093.db2.gz FAEGMVOIJGXWIA-LLVKDONJSA-N 1 0 380.407 2.997 20 0 GFADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)NC[C@H]1CCOC1 ZINC000299179394 563377151 /nfs/dbraw/zinc/37/71/51/563377151.db2.gz PPAOQJGRGBCJOC-OAHLLOKOSA-N 1 0 384.318 2.559 20 0 GFADRO C[C@@H]1CC2(CN1S(=O)(=O)c1sccc1Br)CC[NH2+]CC2 ZINC000424391065 563377957 /nfs/dbraw/zinc/37/79/57/563377957.db2.gz MIHJNYQRDXZHRM-SNVBAGLBSA-N 1 0 379.345 2.663 20 0 GFADRO Cc1cn2c(n1)CN(CC(=O)Nc1c(F)cc(F)cc1Br)CC2 ZINC000374643594 563378991 /nfs/dbraw/zinc/37/89/91/563378991.db2.gz DZXAKOXRQAXWJS-UHFFFAOYSA-N 1 0 385.212 2.687 20 0 GFADRO Cc1cc(C[NH3+])cc(NC(=O)C(=O)NCCc2ccc(Br)s2)c1 ZINC000424441010 563379385 /nfs/dbraw/zinc/37/93/85/563379385.db2.gz RXVDJOHBEMUFBE-UHFFFAOYSA-N 1 0 396.310 2.575 20 0 GFADRO Cc1nn(C(C)C)cc1C[NH2+]CCNS(=O)(=O)c1ccc(Cl)s1 ZINC000281517927 563379446 /nfs/dbraw/zinc/37/94/46/563379446.db2.gz XRVQMYWZGYJHJU-UHFFFAOYSA-N 1 0 376.935 2.555 20 0 GFADRO CC1CC[NH+](CCNC(=O)Cc2noc3ccc(Br)cc32)CC1 ZINC000424586416 563382177 /nfs/dbraw/zinc/38/21/77/563382177.db2.gz SABJISPCPAMPNX-UHFFFAOYSA-N 1 0 380.286 2.981 20 0 GFADRO O=C(Cn1cc(Br)cn1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000299401985 563382926 /nfs/dbraw/zinc/38/29/26/563382926.db2.gz GMFZPRUCHDJVOI-UHFFFAOYSA-N 1 0 395.326 2.833 20 0 GFADRO NC(=O)[C@@H]1CCCC[C@@H]1[NH2+]CCC(=O)Nc1ccc(Br)cc1F ZINC000299439895 563383700 /nfs/dbraw/zinc/38/37/00/563383700.db2.gz VTXCLVHGEIEDFQ-YPMHNXCESA-N 1 0 386.265 2.551 20 0 GFADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)c3cc(=O)[nH]c4ccc(Br)cc43)[C@@H]2C1 ZINC000374882004 563384915 /nfs/dbraw/zinc/38/49/15/563384915.db2.gz PAGQOKJUJACOJA-BDJLRTHQSA-N 1 0 390.281 2.869 20 0 GFADRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1cc(F)ccc1I ZINC000299577049 563386362 /nfs/dbraw/zinc/38/63/62/563386362.db2.gz CVAOZOBBJBXWFN-KBPBESRZSA-N 1 0 388.224 2.787 20 0 GFADRO C[C@H](NC(=O)CN1CC[C@@H]2CC[N@H+](C)[C@H]2C1)c1ccc(Br)cc1 ZINC000375025751 563388063 /nfs/dbraw/zinc/38/80/63/563388063.db2.gz ZOIQVPGTTLYZNE-QRTARXTBSA-N 1 0 380.330 2.652 20 0 GFADRO COc1ncc(C(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)cc1Br ZINC000424719761 563388374 /nfs/dbraw/zinc/38/83/74/563388374.db2.gz YWXUTPDXZKEEOX-ZDUSSCGKSA-N 1 0 382.302 2.657 20 0 GFADRO C[N@@H+]1CC[C@H]2CCN(C(=O)c3cc(=O)[nH]c4c(Br)cccc34)C[C@H]21 ZINC000375063313 563389408 /nfs/dbraw/zinc/38/94/08/563389408.db2.gz DRVNWNBBGPCBPX-XHDPSFHLSA-N 1 0 390.281 2.869 20 0 GFADRO C[NH+]1CCC(C)(CNC(=O)Cc2noc3ccc(Br)cc32)CC1 ZINC000424796527 563391948 /nfs/dbraw/zinc/39/19/48/563391948.db2.gz WIIWGYQAHQANPS-UHFFFAOYSA-N 1 0 380.286 2.981 20 0 GFADRO [NH3+]CC[C@H]1CCCN(C(=O)c2cc(F)c(F)cc2I)C1 ZINC000281989175 563393163 /nfs/dbraw/zinc/39/31/63/563393163.db2.gz PJELVLXYILIOCU-SECBINFHSA-N 1 0 394.203 2.770 20 0 GFADRO CC[NH+](CC)Cc1ccc(CNc2cnn(C)c(=O)c2Br)cc1 ZINC000301232072 563397264 /nfs/dbraw/zinc/39/72/64/563397264.db2.gz JNIAYRQERCAXEM-UHFFFAOYSA-N 1 0 379.302 2.997 20 0 GFADRO C[C@H]([NH2+][C@H]1CCOc2c(Br)cccc21)C(=O)NC[C@@H]1CCCO1 ZINC000282104165 563397648 /nfs/dbraw/zinc/39/76/48/563397648.db2.gz PNCQJNORNXSCHU-HUBLWGQQSA-N 1 0 383.286 2.546 20 0 GFADRO CCC(=O)N1CCCN(Cc2ccc(C(=O)OC)cc2Br)CC1 ZINC000375308827 563398824 /nfs/dbraw/zinc/39/88/24/563398824.db2.gz JQPFAFGQBAMORD-UHFFFAOYSA-N 1 0 383.286 2.680 20 0 GFADRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1c1cnn(C)c(=O)c1Br ZINC000301348724 563400767 /nfs/dbraw/zinc/40/07/67/563400767.db2.gz KOXDIIMXTGMIHS-CQSZACIVSA-N 1 0 391.313 2.644 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)C(=O)NCc1cnc2n1CCCC2 ZINC000375398702 563402588 /nfs/dbraw/zinc/40/25/88/563402588.db2.gz ZKLRNONFUFQWMP-UHFFFAOYSA-N 1 0 391.269 2.545 20 0 GFADRO COc1ccc(CCC(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)cc1Br ZINC000425055266 563403077 /nfs/dbraw/zinc/40/30/77/563403077.db2.gz HBHPETAXNKRFIH-GOEBONIOSA-N 1 0 381.314 2.943 20 0 GFADRO CN(CC[NH+](C)C)c1ccc(Br)cc1NC(=O)COCC1CC1 ZINC000425095261 563403856 /nfs/dbraw/zinc/40/38/56/563403856.db2.gz ATTWAOQAVLIKNL-UHFFFAOYSA-N 1 0 384.318 2.812 20 0 GFADRO Cc1cc(CC(=O)Nc2cc(Br)ccc2N(C)CC[NH+](C)C)[nH]n1 ZINC000425097746 563404486 /nfs/dbraw/zinc/40/44/86/563404486.db2.gz IOFDBBXZAVMOKX-UHFFFAOYSA-N 1 0 394.317 2.660 20 0 GFADRO CCOc1cc(C[NH2+][C@H](CO)CCOC)cc(Br)c1OC(F)F ZINC000282262311 563404599 /nfs/dbraw/zinc/40/45/99/563404599.db2.gz PHHYLHIQKARUMJ-NSHDSACASA-N 1 0 398.244 2.936 20 0 GFADRO CN(CC[NH+](C)C)c1ccc(Br)cc1NC(=O)c1cc[nH]c(=O)c1 ZINC000425101149 563405468 /nfs/dbraw/zinc/40/54/68/563405468.db2.gz YEBBEWVZTRZLSD-UHFFFAOYSA-N 1 0 393.285 2.800 20 0 GFADRO CC1CC[NH+]([C@@H](CNS(=O)(=O)CCOCC2CC2)c2cccs2)CC1 ZINC000425147500 563406138 /nfs/dbraw/zinc/40/61/38/563406138.db2.gz ROQKNTXWDSCKGZ-KRWDZBQOSA-N 1 0 386.583 2.867 20 0 GFADRO Cc1c([C@H](C)[NH2+]CC2([S@](C)=O)CC2)nnn1-c1cccc(Br)c1 ZINC000282325129 563407037 /nfs/dbraw/zinc/40/70/37/563407037.db2.gz NTVBZUBRDYFWGK-RULNZOCKSA-N 1 0 397.342 2.900 20 0 GFADRO COc1cc(C[N@@H+]2CC[C@H](Nc3ncc(Br)cn3)C2)cc(OC)c1 ZINC000301565248 563407281 /nfs/dbraw/zinc/40/72/81/563407281.db2.gz LYTFCWMYHPXZTH-AWEZNQCLSA-N 1 0 393.285 2.943 20 0 GFADRO C[C@@H]([NH2+][C@@H]1CCC(=O)N[C@H]1c1cncn1C)c1cc(Br)ccc1F ZINC000375518414 563408401 /nfs/dbraw/zinc/40/84/01/563408401.db2.gz HHPLJZDIWQKPLE-LGFNAOKASA-N 1 0 395.276 2.992 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(S(=O)(=O)c3ccc4ccccc4c3Br)C[C@@H]21 ZINC000425189812 563409271 /nfs/dbraw/zinc/40/92/71/563409271.db2.gz UFADKTQQFBKDLY-HIFRSBDPSA-N 1 0 395.322 2.927 20 0 GFADRO CSc1nc2ncnc(NC3CC[NH+]([C@@H]4CCCC[C@H]4O)CC3)c2s1 ZINC000301679260 563410206 /nfs/dbraw/zinc/41/02/06/563410206.db2.gz FAKSLVRZKJAZHM-CHWSQXEVSA-N 1 0 379.555 2.988 20 0 GFADRO COc1cc2[nH+]ccc(NCC(=O)N3CCCCC3)c2cc1Br ZINC000425203275 563410517 /nfs/dbraw/zinc/41/05/17/563410517.db2.gz DZUVKFSPAXCYQN-UHFFFAOYSA-N 1 0 378.270 2.852 20 0 GFADRO O=C(CCCS(=O)(=O)c1ccc(Cl)cc1)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000375640827 563412393 /nfs/dbraw/zinc/41/23/93/563412393.db2.gz INFLHYCIZPFATH-JKSUJKDBSA-N 1 0 384.929 2.637 20 0 GFADRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3cc(Br)cc4nc[nH]c43)CC[C@H]21 ZINC000282508987 563413710 /nfs/dbraw/zinc/41/37/10/563413710.db2.gz OPFLXNWXZBVMSH-XHDPSFHLSA-N 1 0 377.286 2.882 20 0 GFADRO CNC(=O)[C@@H]1CCC[C@@H]1Nc1cc[nH+]c2cc(OC)c(Br)cc12 ZINC000425244792 563414361 /nfs/dbraw/zinc/41/43/61/563414361.db2.gz HWYFUPUFRGBXBI-MFKMUULPSA-N 1 0 378.270 2.754 20 0 GFADRO COCC1(O)CCN(c2cc[nH+]c3cc(OC)c(Br)cc32)CC1 ZINC000425249688 563415101 /nfs/dbraw/zinc/41/51/01/563415101.db2.gz ULYCREJQFXRTPU-UHFFFAOYSA-N 1 0 381.270 2.984 20 0 GFADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)C1(c2cc(F)cc(Br)c2)CC1 ZINC000375710202 563415316 /nfs/dbraw/zinc/41/53/16/563415316.db2.gz JQKWAVPRPZFCHO-HZPDHXFCSA-N 1 0 397.288 2.599 20 0 GFADRO COCC(C)(C)[NH+]1CCN(c2ncnc3cc(Br)ccc32)CC1 ZINC000425283657 563416018 /nfs/dbraw/zinc/41/60/18/563416018.db2.gz UGBZFJFABPTNKD-UHFFFAOYSA-N 1 0 379.302 2.939 20 0 GFADRO COC(=O)[C@@H]1C[N@H+](Cc2cnc(C)cn2)C[C@H]1c1ccc(Br)cc1 ZINC000425346495 563418706 /nfs/dbraw/zinc/41/87/06/563418706.db2.gz JHQDUSSGQPQWMN-DLBZAZTESA-N 1 0 390.281 2.936 20 0 GFADRO C[N@H+](CCCN1C(=O)c2ccccc2C1=O)Cc1ccc(Br)cn1 ZINC000425369408 563419486 /nfs/dbraw/zinc/41/94/86/563419486.db2.gz GOAZHNHBWCDPHL-UHFFFAOYSA-N 1 0 388.265 2.962 20 0 GFADRO CCOc1cc(C[N@H+](C)CCOCCO)cc(Br)c1OC(F)F ZINC000282673406 563420926 /nfs/dbraw/zinc/42/09/26/563420926.db2.gz HRSUHHMOTCWNSM-UHFFFAOYSA-N 1 0 398.244 2.890 20 0 GFADRO CCCS(=O)(=O)CC[NH2+][C@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1 ZINC000375853170 563421366 /nfs/dbraw/zinc/42/13/66/563421366.db2.gz PHBWGOIMHYZEFG-INIZCTEOSA-N 1 0 379.444 2.821 20 0 GFADRO COC(=O)C[C@@H]([NH2+]Cc1ccc(S(=O)(=O)N(C)C)s1)C1CCCCC1 ZINC000425436053 563422320 /nfs/dbraw/zinc/42/23/20/563422320.db2.gz UYIAVJZWWUQWIQ-OAHLLOKOSA-N 1 0 388.555 2.600 20 0 GFADRO C[N@H+]1CC=C(CNC(=O)C2(c3ccc(I)cc3)CC2)CC1 ZINC000282711131 563422336 /nfs/dbraw/zinc/42/23/36/563422336.db2.gz KQHSOOVQKBUVJG-UHFFFAOYSA-N 1 0 396.272 2.701 20 0 GFADRO O=C(NCCC[NH+]1CCCC1)C(=O)Nc1cccc(Br)c1Cl ZINC000282812757 563425502 /nfs/dbraw/zinc/42/55/02/563425502.db2.gz IFGPFKVRXMGIBT-UHFFFAOYSA-N 1 0 388.693 2.643 20 0 GFADRO COC(=O)[C@@H]1CN(Cc2ncccn2)C[C@H]1c1ccc(Br)cc1 ZINC000425520390 563426362 /nfs/dbraw/zinc/42/63/62/563426362.db2.gz RAAXRWKRVIUTOW-LSDHHAIUSA-N 1 0 376.254 2.628 20 0 GFADRO COCCN(C)c1ccc(C[NH2+]C[C@@H](O)c2cccc(Br)c2)cn1 ZINC000282838104 563426373 /nfs/dbraw/zinc/42/63/73/563426373.db2.gz OPFTXBKYWZWGEF-QGZVFWFLSA-N 1 0 394.313 2.750 20 0 GFADRO O=C(c1n[nH]c2ccc(Br)cc21)N1CCC[C@@H]2C[NH2+]CCC[C@@H]21 ZINC000376023385 563427164 /nfs/dbraw/zinc/42/71/64/563427164.db2.gz XRTPPTBQNTVSAC-ABAIWWIYSA-N 1 0 377.286 2.930 20 0 GFADRO OCC1([C@H]([NH2+]CCOCC(F)(F)C(F)(F)F)C2CCOCC2)CCC1 ZINC000425552540 563427264 /nfs/dbraw/zinc/42/72/64/563427264.db2.gz ZNFUCWNXSZXKBB-CYBMUJFWSA-N 1 0 375.378 2.748 20 0 GFADRO CCSCCC[NH2+][C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000282949196 563430381 /nfs/dbraw/zinc/43/03/81/563430381.db2.gz ZDQPQOGPDQWFCH-JTQLQIEISA-N 1 0 381.361 2.890 20 0 GFADRO C[C@H](C(=O)NC(=O)NC(C)(C)C)[N@H+](C)CCc1ccc(Br)cc1 ZINC000303253728 563433316 /nfs/dbraw/zinc/43/33/16/563433316.db2.gz BKUKDDQCDLPKTR-GFCCVEGCSA-N 1 0 384.318 2.936 20 0 GFADRO CC(C)(CN1CCOCC1)[NH2+]Cc1cc(Br)c2c(c1)OCCCO2 ZINC000308638382 563434689 /nfs/dbraw/zinc/43/46/89/563434689.db2.gz HDDOGFOWICJKRU-UHFFFAOYSA-N 1 0 399.329 2.811 20 0 GFADRO C[C@@H]([NH2+]CCc1cccc(Br)c1)c1cccc(S(N)(=O)=O)c1 ZINC000313741663 563437890 /nfs/dbraw/zinc/43/78/90/563437890.db2.gz OQKVMLLLOAIDNP-GFCCVEGCSA-N 1 0 383.311 2.990 20 0 GFADRO CC(C)(CNC(=O)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O)c1ccc(Br)cc1 ZINC000376376866 563439738 /nfs/dbraw/zinc/43/97/38/563439738.db2.gz QCBJTQRKVPVMJU-AGUYFDCRSA-N 1 0 393.325 2.658 20 0 GFADRO C[C@H]1CN(c2nc(C(Cl)(Cl)Cl)ns2)CCN1C1CC[NH+](C)CC1 ZINC000376451180 563442695 /nfs/dbraw/zinc/44/26/95/563442695.db2.gz UTQZNNKJTWXANQ-JTQLQIEISA-N 1 0 398.791 2.970 20 0 GFADRO [NH3+][C@H]1CCC[C@]12CCN(C(=O)c1ccn(-c3cccc(Br)c3)n1)C2 ZINC000376458497 563443107 /nfs/dbraw/zinc/44/31/07/563443107.db2.gz RIISRNCXRDXNFJ-FUHWJXTLSA-N 1 0 389.297 2.978 20 0 GFADRO Cc1nn(C)c(Cl)c1S(=O)(=O)N1CCC([N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000376482538 563444232 /nfs/dbraw/zinc/44/42/32/563444232.db2.gz BACACLXSPUJAOT-BETUJISGSA-N 1 0 388.965 2.513 20 0 GFADRO O[C@H](C[NH2+]Cc1ccc2c(c1)OCO2)COc1cccc(Br)c1 ZINC000320339999 563446356 /nfs/dbraw/zinc/44/63/56/563446356.db2.gz BLWXUYHGAOLRMK-CQSZACIVSA-N 1 0 380.238 2.707 20 0 GFADRO O[C@H](C[NH2+]C[C@H]1Cc2ccccc2O1)COc1ccc(Br)cc1 ZINC000320991678 563447363 /nfs/dbraw/zinc/44/73/63/563447363.db2.gz MRCFYTIOEOZVQZ-NVXWUHKLSA-N 1 0 378.266 2.782 20 0 GFADRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)Nc1cc(C)c(Br)c(C)c1 ZINC000426282964 563447800 /nfs/dbraw/zinc/44/78/00/563447800.db2.gz LGCDOCRUWZLYSQ-OAHLLOKOSA-N 1 0 396.329 2.995 20 0 GFADRO Cc1cc(NC(=O)C(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)cc(C)c1Br ZINC000426312993 563448503 /nfs/dbraw/zinc/44/85/03/563448503.db2.gz KYULBJXOGNIUOI-STQMWFEESA-N 1 0 382.302 2.603 20 0 GFADRO O=C(C[N@@H+]1CC[C@@H]2CCC[C@H]21)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000426462200 563451283 /nfs/dbraw/zinc/45/12/83/563451283.db2.gz VBWYZSJFPMHJLK-XJKSGUPXSA-N 1 0 383.323 2.911 20 0 GFADRO Cn1nc(C(F)(F)F)c(C[NH2+]C[C@H]2CCC3(CCOCC3)[C@H]2O)c1Cl ZINC000376750836 563452829 /nfs/dbraw/zinc/45/28/29/563452829.db2.gz MMJVOFHCDFDRBE-MFKMUULPSA-N 1 0 381.826 2.750 20 0 GFADRO C[NH+]1CCN(c2cccc(C(=O)N[C@H]3CCc4sc(Cl)cc43)n2)CC1 ZINC000426532154 563453157 /nfs/dbraw/zinc/45/31/57/563453157.db2.gz VCEFEKPTYLVWGP-ZDUSSCGKSA-N 1 0 376.913 2.966 20 0 GFADRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)Nc1cc(F)cc(Br)c1F ZINC000427023432 563458440 /nfs/dbraw/zinc/45/84/40/563458440.db2.gz NOERBPWCCSPCJO-SECBINFHSA-N 1 0 392.244 2.512 20 0 GFADRO C[N@H+](CC(=O)N1CCc2sccc2[C@@H]1c1cccs1)CC1(CO)CC1 ZINC000377013088 563460773 /nfs/dbraw/zinc/46/07/73/563460773.db2.gz IPUVHXPAJNEBKE-GOSISDBHSA-N 1 0 376.547 2.988 20 0 GFADRO C[C@@H]([NH2+]CCCNC(=O)c1cccc(Br)c1)C(C)(C)n1cncn1 ZINC000284006871 563461548 /nfs/dbraw/zinc/46/15/48/563461548.db2.gz IAZJKUKNLAQIDJ-CYBMUJFWSA-N 1 0 394.317 2.574 20 0 GFADRO O=C1CC[C@@H]([NH2+]Cc2cnn(-c3ccc(Br)cc3)c2)[C@H](C2CC2)N1 ZINC000377112849 563463197 /nfs/dbraw/zinc/46/31/97/563463197.db2.gz LXVDCIGRNSYMJF-AEFFLSMTSA-N 1 0 389.297 2.782 20 0 GFADRO CS(=O)(=O)N1CC[C@@H](C[NH+]2CCC(C(=O)c3ccc(Cl)cc3)CC2)C1 ZINC000377121548 563464191 /nfs/dbraw/zinc/46/41/91/563464191.db2.gz VTVFTZLXEMVIRW-AWEZNQCLSA-N 1 0 384.929 2.516 20 0 GFADRO COc1ccc([C@H](C)[NH2+]C[C@@H]2CCCS(=O)(=O)C2)cc1Br ZINC000284136566 563465446 /nfs/dbraw/zinc/46/54/46/563465446.db2.gz OOBHGPQDBMBMML-RYUDHWBXSA-N 1 0 376.316 2.933 20 0 GFADRO O=S1(=O)CCC(O)(C[NH2+]Cc2cc(Cl)ccc2OC2CCCC2)CC1 ZINC000328857527 563467036 /nfs/dbraw/zinc/46/70/36/563467036.db2.gz DHIWZBMTMBAULT-UHFFFAOYSA-N 1 0 387.929 2.691 20 0 GFADRO Cc1cc(Br)ccc1C(=O)N1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000377256723 563468758 /nfs/dbraw/zinc/46/87/58/563468758.db2.gz MAFLZLKCTBDNPR-HNNXBMFYSA-N 1 0 394.357 2.998 20 0 GFADRO COC(=O)c1ccc(C[NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)c(Br)c1 ZINC000284297083 563469697 /nfs/dbraw/zinc/46/96/97/563469697.db2.gz INSQGOOSBGPMIF-MRXNPFEDSA-N 1 0 399.329 2.562 20 0 GFADRO COc1ncc([C@H](C)[NH2+]Cc2ccc(S(=O)(=O)N(C)C)cc2)cc1Cl ZINC000284387374 563473055 /nfs/dbraw/zinc/47/30/55/563473055.db2.gz PCGBPYFVGSGJAL-LBPRGKRZSA-N 1 0 383.901 2.845 20 0 GFADRO CN(Cc1ccc(Br)c(F)c1)C(=O)C[N@H+](C)[C@H]1CCSC1 ZINC000427735122 563473223 /nfs/dbraw/zinc/47/32/23/563473223.db2.gz HMNGLSSYKICWFH-LBPRGKRZSA-N 1 0 375.307 2.984 20 0 GFADRO COC(=O)CC[C@@H]([NH3+])C(=O)N1CCC(C)(c2cccc(Br)c2)CC1 ZINC000377498734 563476727 /nfs/dbraw/zinc/47/67/27/563476727.db2.gz ZFNIFEAUGPNKKV-OAHLLOKOSA-N 1 0 397.313 2.610 20 0 GFADRO O=C(c1sccc1S(=O)(=O)C(F)F)N1CCC(C[NH+]2CCCC2)CC1 ZINC000377589695 563480149 /nfs/dbraw/zinc/48/01/49/563480149.db2.gz FFGJOARLRHLYBN-UHFFFAOYSA-N 1 0 392.493 2.692 20 0 GFADRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1Cc1ncc(I)s1 ZINC000377705242 563484154 /nfs/dbraw/zinc/48/41/54/563484154.db2.gz YYWNILBGOBNNCH-MNOVXSKESA-N 1 0 377.295 2.806 20 0 GFADRO CC(C)[C@@]1(CO)CC[N@H+](CC(=O)N(C)Cc2cc(Br)cs2)C1 ZINC000377732827 563484814 /nfs/dbraw/zinc/48/48/14/563484814.db2.gz PMMGOACSODCRRT-INIZCTEOSA-N 1 0 389.359 2.809 20 0 GFADRO CC[C@@H](CNC(=O)C1(C[NH3+])CCOCC1)Cc1cccc(Br)c1 ZINC000284682212 563486073 /nfs/dbraw/zinc/48/60/73/563486073.db2.gz RFVIGLDOUYXYBI-CQSZACIVSA-N 1 0 383.330 2.890 20 0 GFADRO C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCCN2c2nccs2)[C@@H]1c1cccs1 ZINC000377785640 563486501 /nfs/dbraw/zinc/48/65/01/563486501.db2.gz SQEOQYCOHJEAIU-IJEWVQPXSA-N 1 0 376.551 2.983 20 0 GFADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000428465784 563493105 /nfs/dbraw/zinc/49/31/05/563493105.db2.gz XSYKRRUEVKJCPD-JWZBEHFJSA-N 1 0 381.314 2.937 20 0 GFADRO COCc1cnc(C[NH2+]C[C@H](CO)Cc2ccc(Br)cc2)s1 ZINC000428540050 563495414 /nfs/dbraw/zinc/49/54/14/563495414.db2.gz NNISAFOPVAQAFB-CYBMUJFWSA-N 1 0 385.327 2.993 20 0 GFADRO COCC[C@]1(C(=O)NCCc2ccc(-c3csc(C)n3)s2)CC[NH2+]C1 ZINC000378214892 563498780 /nfs/dbraw/zinc/49/87/80/563498780.db2.gz NSIYPLYIVFRIDB-GOSISDBHSA-N 1 0 379.551 2.855 20 0 GFADRO C[N@@H+]1CCC[C@H](CNS(=O)(=O)CCC2CCOCC2)[C@@H]1c1cccs1 ZINC000330305388 563500271 /nfs/dbraw/zinc/50/02/71/563500271.db2.gz QPOOLSYIYJCYQB-SJLPKXTDSA-N 1 0 386.583 2.867 20 0 GFADRO C[C@@H](Cc1ccc(Br)cc1)C(=O)N1CCCN(CC[NH+](C)C)CC1 ZINC000378328615 563502705 /nfs/dbraw/zinc/50/27/05/563502705.db2.gz KOGHXDNSGGPNRR-INIZCTEOSA-N 1 0 396.373 2.724 20 0 GFADRO C[C@@H]([NH2+][C@@H](CO)c1ccc(Br)cc1)C(=O)NCc1ccc(F)cc1 ZINC000428816148 563503063 /nfs/dbraw/zinc/50/30/63/563503063.db2.gz HPZKUGUOSAEPDS-PXAZEXFGSA-N 1 0 395.272 2.916 20 0 GFADRO C[N@@H+]1CC[C@@H]2OCCN(C(=O)/C=C/c3cc(Br)ccc3F)[C@H]2C1 ZINC000285097027 563503108 /nfs/dbraw/zinc/50/31/08/563503108.db2.gz DWSPLTQHQAUDKO-QJYJJXRGSA-N 1 0 383.261 2.533 20 0 GFADRO C[C@H]1CN(C(=O)c2ccc(Br)cc2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000378320643 563503125 /nfs/dbraw/zinc/50/31/25/563503125.db2.gz VMBHKKYYRZNLDV-YOEHRIQHSA-N 1 0 380.330 2.547 20 0 GFADRO C[C@@H](c1ccccc1)[C@@H]([NH2+]Cc1cc2c(c(Br)c1)OCO2)C(N)=O ZINC000428857394 563503387 /nfs/dbraw/zinc/50/33/87/563503387.db2.gz RHUPSUJGPOVDQV-MEDUHNTESA-N 1 0 391.265 2.925 20 0 GFADRO Cc1cc(C[NH+]2CCC([C@]3(C)NC(=O)NC3=O)CC2)ccc1Br ZINC000378341538 563503658 /nfs/dbraw/zinc/50/36/58/563503658.db2.gz LDWAPOOPLOJDNI-KRWDZBQOSA-N 1 0 380.286 2.568 20 0 GFADRO O=S(=O)(CC[NH2+]Cc1ccc(C(F)(F)F)s1)NCc1ccccc1 ZINC000428874599 563504474 /nfs/dbraw/zinc/50/44/74/563504474.db2.gz AAFMKHGGNMCVOW-UHFFFAOYSA-N 1 0 378.441 2.976 20 0 GFADRO Cc1cc(C(=O)N2CCN(C3CC[NH+](C)CC3)[C@H](C)C2)ccc1Br ZINC000378365256 563504730 /nfs/dbraw/zinc/50/47/30/563504730.db2.gz IUUCOWBFNWETPH-OAHLLOKOSA-N 1 0 394.357 2.998 20 0 GFADRO COc1ccc(Br)cc1CC(=O)Nc1cnc2c(c1)C[NH2+]CC2 ZINC000378391106 563505188 /nfs/dbraw/zinc/50/51/88/563505188.db2.gz BORCTNPUFJFIPB-UHFFFAOYSA-N 1 0 376.254 2.680 20 0 GFADRO COC(=O)c1ccc(Br)cc1CN1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000330433116 563505492 /nfs/dbraw/zinc/50/54/92/563505492.db2.gz KKZRPQJOFMIYFK-ZDUSSCGKSA-N 1 0 399.329 2.513 20 0 GFADRO CC(=O)N[C@H](CC(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1)c1ccc(Br)cc1 ZINC000428993778 563506358 /nfs/dbraw/zinc/50/63/58/563506358.db2.gz NTWGKKXWPSEAOU-YLQAJVPDSA-N 1 0 396.329 2.521 20 0 GFADRO C[C@H]1C[C@@H]1[N@@H+]1CCN(C[C@H](O)COc2ccc(Br)cc2)C[C@@H](C)C1 ZINC000429020957 563507959 /nfs/dbraw/zinc/50/79/59/563507959.db2.gz OKGOBCATRVZFEO-YEWFCNIMSA-N 1 0 397.357 2.851 20 0 GFADRO C[C@H]([NH2+]CC1(O)CCS(=O)(=O)CC1)[C@@H](C)c1ccccc1C(F)(F)F ZINC000330518677 563508857 /nfs/dbraw/zinc/50/88/57/563508857.db2.gz JOHMTPWOIXQVSN-OLZOCXBDSA-N 1 0 379.444 2.727 20 0 GFADRO OCC[N@H+](CCN1CCOCC1)Cc1cccc2c(Br)cccc12 ZINC000429053632 563509502 /nfs/dbraw/zinc/50/95/02/563509502.db2.gz DYZALMAKUGGYCX-UHFFFAOYSA-N 1 0 393.325 2.729 20 0 GFADRO C[C@@H]([NH2+]Cc1ccc(S(=O)(=O)N(C)C)cc1)[C@@H]1OCCc2sccc21 ZINC000429124564 563510109 /nfs/dbraw/zinc/51/01/09/563510109.db2.gz VYPRBHGPLHMMCG-ACJLOTCBSA-N 1 0 380.535 2.791 20 0 GFADRO O=C(NCC[C@@H]1CC[NH2+]C1)c1cc(I)ccc1Cl ZINC000429111241 563510227 /nfs/dbraw/zinc/51/02/27/563510227.db2.gz SFDNYMQGHZKXSY-VIFPVBQESA-N 1 0 378.641 2.674 20 0 GFADRO CS(=O)(=O)CC[C@H]([NH3+])C(=O)N[C@H]1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000378531454 563510611 /nfs/dbraw/zinc/51/06/11/563510611.db2.gz URTGEBGIYKOBHS-UGFHNGPFSA-N 1 0 393.336 2.508 20 0 GFADRO C[C@@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH2+]CCS(C)(=O)=O ZINC000285245530 563510613 /nfs/dbraw/zinc/51/06/13/563510613.db2.gz AFJJHIGKUFEMDA-VIFPVBQESA-N 1 0 386.823 2.710 20 0 GFADRO CN(CCC[NH2+]Cc1ncc(I)s1)CC(F)(F)F ZINC000285242844 563510622 /nfs/dbraw/zinc/51/06/22/563510622.db2.gz ABLXKNPBBFXWJQ-UHFFFAOYSA-N 1 0 393.216 2.722 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)N1CCC[C@](O)(C(F)(F)F)CC1)c1cccs1 ZINC000285262623 563512086 /nfs/dbraw/zinc/51/20/86/563512086.db2.gz ZXYAIMDMUXSLEB-SWLSCSKDSA-N 1 0 379.448 2.840 20 0 GFADRO CC(=O)N[C@H](CC(=O)N1C[C@@H](C)[N@@H+](C)C[C@H]1C)c1ccc(Br)cc1 ZINC000330601688 563512408 /nfs/dbraw/zinc/51/24/08/563512408.db2.gz GQPGSJIQWHCGCV-PBFPGSCMSA-N 1 0 396.329 2.567 20 0 GFADRO CN(Cc1cc(Br)cs1)C(=O)C[NH2+][C@@H]1Cc2cccc(O)c2C1 ZINC000429225048 563512716 /nfs/dbraw/zinc/51/27/16/563512716.db2.gz DFMMPXGJVGXYAN-CYBMUJFWSA-N 1 0 395.322 2.932 20 0 GFADRO O[C@H](COc1ccc(Br)cc1)C[N@@H+]1CCOC[C@@H](C2CCC2)C1 ZINC000429263917 563513597 /nfs/dbraw/zinc/51/35/97/563513597.db2.gz AYWBYEJMYQBHRD-RDJZCZTQSA-N 1 0 384.314 2.937 20 0 GFADRO COCCC[NH+]1CCC(NC(=O)c2cc(Br)c(C)cc2OC)CC1 ZINC000285329106 563515540 /nfs/dbraw/zinc/51/55/40/563515540.db2.gz OHBKRUSGOBYSLR-UHFFFAOYSA-N 1 0 399.329 2.997 20 0 GFADRO C[NH+](C)CC1CN(C(=O)c2cc(Br)ccc2Br)C1 ZINC000382226973 563516448 /nfs/dbraw/zinc/51/64/48/563516448.db2.gz XOMSIDRTJHFEFM-UHFFFAOYSA-N 1 0 376.092 2.845 20 0 GFADRO CCCS(=O)(=O)N1CCC([NH2+]Cc2cccc(F)c2Br)CC1 ZINC000382531261 563516637 /nfs/dbraw/zinc/51/66/37/563516637.db2.gz BWFQEIHWHNTTLO-UHFFFAOYSA-N 1 0 393.322 2.882 20 0 GFADRO CC(C)NS(=O)(=O)NCC[NH2+][C@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000429453404 563517193 /nfs/dbraw/zinc/51/71/93/563517193.db2.gz OVLOUTSEZUMALC-HNNXBMFYSA-N 1 0 379.448 2.579 20 0 GFADRO C[C@H](CNC(=O)NCCCCc1ccc(Cl)s1)C[NH+]1CCN(C)CC1 ZINC000285372955 563517680 /nfs/dbraw/zinc/51/76/80/563517680.db2.gz KTPGCCMCKIZLCL-OAHLLOKOSA-N 1 0 386.993 2.907 20 0 GFADRO CCC[C@@]1([NH2+]CC(=O)Nc2ccccc2I)CCOC1 ZINC000285444386 563520839 /nfs/dbraw/zinc/52/08/39/563520839.db2.gz FXIPLAMCLAEZHX-OAHLLOKOSA-N 1 0 388.249 2.779 20 0 GFADRO CS(=O)(=O)N[C@H]1CCCC[C@@H]1[NH2+]Cc1cc(-c2ccc(Cl)cc2)no1 ZINC000429726267 563521484 /nfs/dbraw/zinc/52/14/84/563521484.db2.gz UULASPIKDDBGEU-HOTGVXAUSA-N 1 0 383.901 2.945 20 0 GFADRO C[C@H]1CCC[N@@H+](C(C)(C)CNS(=O)(=O)c2ccc(Br)o2)C1 ZINC000330800967 563521641 /nfs/dbraw/zinc/52/16/41/563521641.db2.gz CYBBHWMRBYJZCT-NSHDSACASA-N 1 0 379.320 2.831 20 0 GFADRO O=C(NC[C@H]1C[NH2+]CCCO1)c1ccc(Br)c(C(F)(F)F)c1 ZINC000389728112 563522130 /nfs/dbraw/zinc/52/21/30/563522130.db2.gz QARQCSQHHMWLNW-SNVBAGLBSA-N 1 0 381.192 2.576 20 0 GFADRO CC(C)NC(=O)[C@H]1CCC[C@H]([NH2+]Cc2c(Cl)cccc2S(C)(=O)=O)C1 ZINC000330824834 563522507 /nfs/dbraw/zinc/52/25/07/563522507.db2.gz FFGDFXMKTVVLGF-KBPBESRZSA-N 1 0 386.945 2.917 20 0 GFADRO C[NH+](C)CCn1ccc(NC(=O)C2(Cc3ccccc3Br)CC2)n1 ZINC000429808835 563523445 /nfs/dbraw/zinc/52/34/45/563523445.db2.gz MRJQCKKTUOECHW-UHFFFAOYSA-N 1 0 391.313 3.169 20 0 GFADRO CC(C)(O)C[NH+]1CCN(CCCC(=O)c2ccc(Br)cc2)CC1 ZINC000391230790 563524514 /nfs/dbraw/zinc/52/45/14/563524514.db2.gz BICHTGCBXLTAGI-UHFFFAOYSA-N 1 0 383.330 2.801 20 0 GFADRO COC(=O)CC[N@H+](CCOc1ccc(Br)cc1)C[C@H]1CCCO1 ZINC000391367084 563524735 /nfs/dbraw/zinc/52/47/35/563524735.db2.gz ZNIMDFHNAAJDQL-MRXNPFEDSA-N 1 0 386.286 2.872 20 0 GFADRO C[C@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH2+][C@H]1CC(=O)N(C)C1 ZINC000285532539 563525056 /nfs/dbraw/zinc/52/50/56/563525056.db2.gz SKHNXBQAWNAUEY-KOLCDFICSA-N 1 0 377.794 2.896 20 0 GFADRO CNS(=O)(=O)NC1CC[NH+](Cc2ccc(-c3ccccc3Cl)o2)CC1 ZINC000330889516 563525492 /nfs/dbraw/zinc/52/54/92/563525492.db2.gz BITYSZTWVTZARL-UHFFFAOYSA-N 1 0 383.901 2.618 20 0 GFADRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NS(=O)(=O)c1cc(Cl)ccc1Br ZINC000429845299 563525675 /nfs/dbraw/zinc/52/56/75/563525675.db2.gz MYPGZUZMXNBDDM-ZANVPECISA-N 1 0 393.734 2.864 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N2CCC[C@@H]([NH+](C)C)CC2)cc1Br ZINC000429885898 563527546 /nfs/dbraw/zinc/52/75/46/563527546.db2.gz NIHFHEDJRBLPNI-CQSZACIVSA-N 1 0 396.329 2.947 20 0 GFADRO Cc1cc(C(=O)NC[C@@](C)(O)CC[NH+](C)C)c2cc(Br)ccc2n1 ZINC000429910742 563528770 /nfs/dbraw/zinc/52/87/70/563528770.db2.gz PYYJTOFVWUALQW-SFHVURJKSA-N 1 0 394.313 2.738 20 0 GFADRO O=C(COC1C[NH2+]C1)N[C@@H](c1ccccc1)c1ccc(Br)cc1 ZINC000429920911 563528913 /nfs/dbraw/zinc/52/89/13/563528913.db2.gz GXXGTPNOZRQDKZ-SFHVURJKSA-N 1 0 375.266 2.643 20 0 GFADRO COC(=O)[C@H](NC(=O)C[C@H](C)[C@@H]1CCC[NH2+]C1)c1ccc(Br)cc1 ZINC000429912904 563528934 /nfs/dbraw/zinc/52/89/34/563528934.db2.gz YWERECZXDWOICB-DXCKQFNASA-N 1 0 397.313 2.805 20 0 GFADRO CC[NH+](CC)[C@@H](CNC(=O)N1CCC(O)(C(F)F)CC1)c1ccsc1 ZINC000429939440 563529369 /nfs/dbraw/zinc/52/93/69/563529369.db2.gz AFLFPJQOLRLMLQ-AWEZNQCLSA-N 1 0 375.485 2.933 20 0 GFADRO CN1CCO[C@H]2CCN(C(=O)Nc3ccc(Cl)c(OC(F)F)c3)C[C@H]21 ZINC000285633226 563529988 /nfs/dbraw/zinc/52/99/88/563529988.db2.gz ZZCRPGSNGBGCDC-OLZOCXBDSA-N 1 0 375.803 2.878 20 0 GFADRO C[C@@H](CC[NH2+]Cc1c(Br)cncc1Br)[S@@](C)=O ZINC000394554312 563530199 /nfs/dbraw/zinc/53/01/99/563530199.db2.gz GFJPOPZXDHBPGC-WNWIJWBNSA-N 1 0 384.137 2.853 20 0 GFADRO COc1cc(Cl)c(C[NH2+][C@@H]2CCCC[C@H]2NS(C)(=O)=O)cc1Cl ZINC000331030246 563532223 /nfs/dbraw/zinc/53/22/23/563532223.db2.gz YUXDLOXEFAGZIV-ZIAGYGMSSA-N 1 0 381.325 2.952 20 0 GFADRO C[N@H+](CCCCc1cccc(C(F)(F)F)c1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000430092836 563532383 /nfs/dbraw/zinc/53/23/83/563532383.db2.gz BPMLWEZJSBOFJV-MRXNPFEDSA-N 1 0 378.460 2.994 20 0 GFADRO CC[C@H]([NH2+][C@H]1CCCN(S(C)(=O)=O)C1)c1ccc(Br)cc1 ZINC000400207236 563534257 /nfs/dbraw/zinc/53/42/57/563534257.db2.gz RIHGWIAEHBTVKK-GJZGRUSLSA-N 1 0 375.332 2.914 20 0 GFADRO C[C@@H]([NH2+][C@H]1CCCN(S(C)(=O)=O)C1)c1ccc(F)cc1Br ZINC000400162975 563534624 /nfs/dbraw/zinc/53/46/24/563534624.db2.gz HJWNFAVKKVZESE-PWSUYJOCSA-N 1 0 379.295 2.663 20 0 GFADRO C[C@@H](C(=O)NC[C@H](CO)Cc1ccccc1Br)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000430144091 563535962 /nfs/dbraw/zinc/53/59/62/563535962.db2.gz DHFHSNWUURNLLQ-XUWVNRHRSA-N 1 0 397.357 2.978 20 0 GFADRO CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](CO)Cc1ccccc1Br ZINC000430158443 563536587 /nfs/dbraw/zinc/53/65/87/563536587.db2.gz VNDGRCFDRBYFHN-WMLDXEAASA-N 1 0 383.330 2.591 20 0 GFADRO C[C@H]1C[C@@H](N2CCOCC2)C[N@@H+]1CCC(=O)Nc1ccc(Br)cc1 ZINC000285813044 563538274 /nfs/dbraw/zinc/53/82/74/563538274.db2.gz GLWYIJFQMKBHAX-WMLDXEAASA-N 1 0 396.329 2.573 20 0 GFADRO CC1=C[C@H](C)C[N@H+](CC(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)C1 ZINC000430287212 563540469 /nfs/dbraw/zinc/54/04/69/563540469.db2.gz DHECNNZQUXQMJM-ZDUSSCGKSA-N 1 0 383.323 2.935 20 0 GFADRO CC[C@H](Cc1ccccc1Br)NC(=O)[C@]1(CCOC)CC[NH2+]C1 ZINC000430455228 563543877 /nfs/dbraw/zinc/54/38/77/563543877.db2.gz ZZRPZLOHJURDAQ-QAPCUYQASA-N 1 0 383.330 2.903 20 0 GFADRO Cc1cc(Br)c(C(=O)N[C@@H](C)CN2CC[NH+](C)CC2)cc1Cl ZINC000285967415 563543936 /nfs/dbraw/zinc/54/39/36/563543936.db2.gz AWNUFGUDZFZVER-LBPRGKRZSA-N 1 0 388.737 2.777 20 0 GFADRO COC(=O)c1csc([C@@H](C)[NH2+]Cc2ccc(S(=O)(=O)N(C)C)cc2)c1 ZINC000285960776 563544029 /nfs/dbraw/zinc/54/40/29/563544029.db2.gz GQFVZBSASMJDGO-GFCCVEGCSA-N 1 0 382.507 2.636 20 0 GFADRO COc1cc(C)c(Br)cc1C(=O)N[C@H](C)CC[NH+]1CCN(C)CC1 ZINC000286048385 563546590 /nfs/dbraw/zinc/54/65/90/563546590.db2.gz LDNUSVQZBLNIAQ-CQSZACIVSA-N 1 0 398.345 2.522 20 0 GFADRO C[C@@H]([NH2+]CC(C)(C)C[C@H](C)O)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430708890 563548279 /nfs/dbraw/zinc/54/82/79/563548279.db2.gz VIHRYBVOYNKWDV-WDEREUQCSA-N 1 0 393.347 2.544 20 0 GFADRO Cc1cc(Br)cc(C)c1N1CCC[C@@H](NC(=O)N2CC[C@H]([NH3+])C2)C1 ZINC000331609401 563555260 /nfs/dbraw/zinc/55/52/60/563555260.db2.gz MYTFONDOMDOWHU-JKSUJKDBSA-N 1 0 395.345 2.777 20 0 GFADRO C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1NC(=O)Cc1csc(NC(=O)c2cccs2)n1 ZINC000286315682 563555610 /nfs/dbraw/zinc/55/56/10/563555610.db2.gz YEWVQVKETIGBPC-JRPNMDOOSA-N 1 0 378.523 2.502 20 0 GFADRO CCc1nc(NC(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)sc1C(=O)OC ZINC000331624426 563555924 /nfs/dbraw/zinc/55/59/24/563555924.db2.gz FZGXBMTZKBWVIH-GFCCVEGCSA-N 1 0 383.539 2.648 20 0 GFADRO CC(C)OCC[NH+]1CCC(NS(=O)(=O)Cc2cc(Cl)ccc2F)CC1 ZINC000431295737 563558125 /nfs/dbraw/zinc/55/81/25/563558125.db2.gz JZMQBCGOFRSZLU-UHFFFAOYSA-N 1 0 392.924 2.788 20 0 GFADRO C[C@@H]1C[NH+](CCCNC(=O)NCc2ccsc2Br)C[C@@H](C)O1 ZINC000331721659 563559705 /nfs/dbraw/zinc/55/97/05/563559705.db2.gz TUEVGINFYIHKKW-VXGBXAGGSA-N 1 0 390.347 2.809 20 0 GFADRO COC(=O)c1ccc(S(=O)(=O)N2CCC[C@H]([NH+]3[C@@H](C)CC[C@@H]3C)C2)s1 ZINC000331837246 563564213 /nfs/dbraw/zinc/56/42/13/563564213.db2.gz OXEHICBRTUYRHH-IHRRRGAJSA-N 1 0 386.539 2.561 20 0 GFADRO CC(=O)Nc1ccc(S(=O)(=O)N2CC[C@H]([NH+]3CCCC3)[C@@H]2C)cc1Cl ZINC000286538893 563564645 /nfs/dbraw/zinc/56/46/45/563564645.db2.gz BYRIOIHPHCIXII-SJCJKPOMSA-N 1 0 385.917 2.546 20 0 GFADRO C[C@@](O)(C[NH2+]Cc1ncc(I)s1)c1cccs1 ZINC000286536688 563564672 /nfs/dbraw/zinc/56/46/72/563564672.db2.gz NZZZZISPNPGZCR-LLVKDONJSA-N 1 0 380.276 2.807 20 0 GFADRO C[N@H+](CCO)C1CCN(S(=O)(=O)c2csc3ccc(Cl)cc32)CC1 ZINC000331914710 563566893 /nfs/dbraw/zinc/56/68/93/563566893.db2.gz BDKOBVZNWQVFHK-UHFFFAOYSA-N 1 0 388.942 2.632 20 0 GFADRO COCC[NH+](CCOC)C1CCN(C(=O)c2ccccc2Br)CC1 ZINC000286626335 563567718 /nfs/dbraw/zinc/56/77/18/563567718.db2.gz KAJHFZLSRRTYAF-UHFFFAOYSA-N 1 0 399.329 2.649 20 0 GFADRO O=C(N[C@H](CO)c1cccc(Cl)c1F)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000331984104 563569993 /nfs/dbraw/zinc/56/99/93/563569993.db2.gz YNKGZGJYLCELPX-XJKSGUPXSA-N 1 0 386.920 2.846 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N2CCC(C[NH+](C)C)CC2)c(Br)c1 ZINC000431977425 563572351 /nfs/dbraw/zinc/57/23/51/563572351.db2.gz MLRDWOUEZYAZPT-UHFFFAOYSA-N 1 0 396.329 2.805 20 0 GFADRO CS[C@@H]1CN(C(=O)[C@H](C)Oc2ccc(Br)cc2)C[C@H]1[NH+](C)C ZINC000409886668 563573287 /nfs/dbraw/zinc/57/32/87/563573287.db2.gz KWBADXPABDFMRN-NILFDRSVSA-N 1 0 387.343 2.720 20 0 GFADRO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)Cc1ccc(Br)cc1O ZINC000432042262 563573633 /nfs/dbraw/zinc/57/36/33/563573633.db2.gz WCMFHWLQIBKIBY-KRWDZBQOSA-N 1 0 391.309 2.986 20 0 GFADRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccn(-c2ccc(Br)cc2)n1 ZINC000432022322 563573876 /nfs/dbraw/zinc/57/38/76/563573876.db2.gz YGQJUDDSVCPSQA-RDJZCZTQSA-N 1 0 389.297 2.991 20 0 GFADRO C[C@H]1C[NH+](CCCNC(=O)c2cc(Br)cc(N(C)C)c2)C[C@H](C)O1 ZINC000432053268 563574237 /nfs/dbraw/zinc/57/42/37/563574237.db2.gz OIFWDCSGMXTLLJ-KBPBESRZSA-N 1 0 398.345 2.744 20 0 GFADRO CNC(=O)[C@H]1C[N@@H+]([C@@H](C)c2ccccc2Br)C[C@@H]1c1cnn(C)c1 ZINC000332081907 563574956 /nfs/dbraw/zinc/57/49/56/563574956.db2.gz NFRWSMAJCBNIPE-MAZHCROVSA-N 1 0 391.313 2.705 20 0 GFADRO CCC[N@@H+]1CCC[C@@H]1C(=O)NCc1cc(Br)c2c(c1)OCCO2 ZINC000332110114 563577001 /nfs/dbraw/zinc/57/70/01/563577001.db2.gz FCPWKTVYMCVMLY-CQSZACIVSA-N 1 0 383.286 2.711 20 0 GFADRO C[C@H]1CN(C(=O)C(=O)N2CCC(c3c(Cl)cccc3Cl)CC2)C[C@@H]1[NH3+] ZINC000332106499 563577106 /nfs/dbraw/zinc/57/71/06/563577106.db2.gz DWCRQTSJAWEULM-NHYWBVRUSA-N 1 0 384.307 2.505 20 0 GFADRO Cc1oc(Br)cc1C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000332138514 563579225 /nfs/dbraw/zinc/57/92/25/563579225.db2.gz LQCXRBVDLQYQRD-HUUCEWRRSA-N 1 0 385.302 2.848 20 0 GFADRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1cn2ccc(Br)cc2n1 ZINC000286980180 563582334 /nfs/dbraw/zinc/58/23/34/563582334.db2.gz GQENYRQHVVBQNF-DOMZBBRYSA-N 1 0 377.286 2.796 20 0 GFADRO C[C@H]1C[C@H]([NH2+]CC2(O)CCS(=O)(=O)CC2)c2cccc(Br)c21 ZINC000332226877 563585129 /nfs/dbraw/zinc/58/51/29/563585129.db2.gz CESWGOQELWBMJN-FZMZJTMJSA-N 1 0 388.327 2.527 20 0 GFADRO [NH3+]C[C@H]1CCCC[C@H]1NC(=O)N1CCC(n2cc(Br)cn2)CC1 ZINC000332287518 563590499 /nfs/dbraw/zinc/59/04/99/563590499.db2.gz IVSDFBPLAWHRED-IUODEOHRSA-N 1 0 384.322 2.510 20 0 GFADRO CN(C)S(=O)(=O)N1CCCC[C@H]1C[NH2+][C@H]1CCSc2c(F)cccc21 ZINC000332295832 563591106 /nfs/dbraw/zinc/59/11/06/563591106.db2.gz DEXRERJUWFSHPZ-BBRMVZONSA-N 1 0 387.546 2.613 20 0 GFADRO CN(Cc1ccc(Cl)s1)C(=O)C(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000410438082 563591252 /nfs/dbraw/zinc/59/12/52/563591252.db2.gz DZNJUMVLGJLKMQ-AWEZNQCLSA-N 1 0 383.945 2.837 20 0 GFADRO C[C@@H]1CCN(C(=O)N[C@@H]2COc3cc(F)c(Br)cc32)[C@@H](C[NH3+])C1 ZINC000332316098 563592405 /nfs/dbraw/zinc/59/24/05/563592405.db2.gz NPEBGEYBQHHKIK-GPCCPHFNSA-N 1 0 386.265 2.791 20 0 GFADRO C[C@@H]1C[C@@H](N(C)C(=O)C(=O)N(C)Cc2cc(Cl)cc(Cl)c2)CC[N@@H+]1C ZINC000410733561 563595875 /nfs/dbraw/zinc/59/58/75/563595875.db2.gz POFGCPWVHZALMR-WBMJQRKESA-N 1 0 386.323 2.893 20 0 GFADRO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C(=O)N1CC[C@H]2CC[N@H+](C)C[C@H]21 ZINC000410975422 563601183 /nfs/dbraw/zinc/60/11/83/563601183.db2.gz JNXHRLYUCUNFJU-CZUORRHYSA-N 1 0 384.307 2.504 20 0 GFADRO C[C@@H]([NH2+]CCC1(O)CCOCC1)c1ccccc1I ZINC000287516564 563605328 /nfs/dbraw/zinc/60/53/28/563605328.db2.gz OIZALJGHTWQUCH-GFCCVEGCSA-N 1 0 375.250 2.873 20 0 GFADRO Cc1cc(NC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc(F)c1Br ZINC000411149785 563607804 /nfs/dbraw/zinc/60/78/04/563607804.db2.gz XCUCTMPEGYHEGL-DGCLKSJQSA-N 1 0 398.276 2.578 20 0 GFADRO O=C(CC[N@@H+]1CC[C@H](C(=O)N2CCCC2)C1)Nc1cccc(Br)c1 ZINC000287602178 563610020 /nfs/dbraw/zinc/61/00/20/563610020.db2.gz YUUPKRMHRBSEHL-AWEZNQCLSA-N 1 0 394.313 2.722 20 0 GFADRO O=C([C@@H]1CC[N@@H+](Cc2cc3c(cc2Br)OCO3)C1)N1CCCC1 ZINC000287617262 563610742 /nfs/dbraw/zinc/61/07/42/563610742.db2.gz ZOLKKRAAAKSGGG-GFCCVEGCSA-N 1 0 381.270 2.622 20 0 GFADRO C[C@H](O)C[N@@H+]1CCN(Cc2c(F)c(F)c(Br)c(F)c2F)C[C@H]1C ZINC000411237628 563611578 /nfs/dbraw/zinc/61/15/78/563611578.db2.gz JZERFECCVZKHQR-BDAKNGLRSA-N 1 0 399.226 2.892 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)N[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000332688878 563611832 /nfs/dbraw/zinc/61/18/32/563611832.db2.gz QLUXOMISMGCKLU-JLJPHGGASA-N 1 0 395.345 2.939 20 0 GFADRO O=C(NCCCc1ccc(Cl)cc1Cl)c1ncn([C@@H]2CCC[NH2+]C2)n1 ZINC000433405686 563612268 /nfs/dbraw/zinc/61/22/68/563612268.db2.gz IBYUFJWJGIFFSL-CQSZACIVSA-N 1 0 382.295 2.872 20 0 GFADRO O=C(N[C@H]1COc2cc(F)c(Br)cc21)N[C@H]1CCc2[nH]cnc2C1 ZINC000332870483 563615360 /nfs/dbraw/zinc/61/53/60/563615360.db2.gz VWQUQBKMIJDOPE-RTHLEPHNSA-N 1 0 395.232 2.602 20 0 GFADRO Cc1cc(NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC3)C2)cc(F)c1Br ZINC000411404682 563617965 /nfs/dbraw/zinc/61/79/65/563617965.db2.gz XQAOUTRZLWDQGK-CYBMUJFWSA-N 1 0 398.276 2.530 20 0 GFADRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2ncsc2Br)[C@H](C)C1 ZINC000287847762 563620045 /nfs/dbraw/zinc/62/00/45/563620045.db2.gz CBVFPSXPYYCNKY-VXGBXAGGSA-N 1 0 390.347 2.772 20 0 GFADRO CSc1ccc(OC[C@H](O)C[NH2+][C@H](C[S@@](C)=O)c2ccccc2)cc1 ZINC000411470514 563620447 /nfs/dbraw/zinc/62/04/47/563620447.db2.gz JFDFBPXKMUECGJ-DNHRDODTSA-N 1 0 379.547 2.858 20 0 GFADRO O=C(Nc1cnn(-c2ccccc2Br)c1)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000333113743 563620862 /nfs/dbraw/zinc/62/08/62/563620862.db2.gz GXQWELXGOBANBM-CHWSQXEVSA-N 1 0 390.285 2.708 20 0 GFADRO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(C(=O)Nc2nc(C(F)(F)F)cs2)CC1 ZINC000333139373 563622206 /nfs/dbraw/zinc/62/22/06/563622206.db2.gz KRQLJYNODNYOKB-ZYHUDNBSSA-N 1 0 378.420 2.912 20 0 GFADRO C[C@H]1C[NH+](CCCNC(=O)NCc2cc(F)c(Cl)cc2F)C[C@H](C)O1 ZINC000433987297 563624521 /nfs/dbraw/zinc/62/45/21/563624521.db2.gz DCZXBNKLHWGGAF-RYUDHWBXSA-N 1 0 375.847 2.917 20 0 GFADRO [NH3+][C@H]1CCO[C@@H](C2CCN(C(=O)Cc3cc(F)ccc3Br)CC2)C1 ZINC000333237353 563625696 /nfs/dbraw/zinc/62/56/96/563625696.db2.gz DGWWCYBOTBNUTC-DOTOQJQBSA-N 1 0 399.304 2.876 20 0 GFADRO O=C(Nc1ccc2nccnc2c1Br)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000333328334 563627838 /nfs/dbraw/zinc/62/78/38/563627838.db2.gz NWMSFXJCSIIUSA-INIZCTEOSA-N 1 0 376.258 2.610 20 0 GFADRO [NH3+][C@@H]1CCO[C@@H](C2CCN(C(=O)c3ccc(F)c(Br)c3)CC2)C1 ZINC000333312345 563628100 /nfs/dbraw/zinc/62/81/00/563628100.db2.gz RZUBYRMPHAWKBL-CZUORRHYSA-N 1 0 385.277 2.947 20 0 GFADRO Cc1c(Br)cccc1NC(=O)C(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000411673761 563629127 /nfs/dbraw/zinc/62/91/27/563629127.db2.gz OQDGXOXNOWWPDD-ZDUSSCGKSA-N 1 0 382.302 2.544 20 0 GFADRO Cc1ccc(NC(=O)C(=O)NCC[C@H]2CCC[N@@H+](C)C2)c(Br)c1 ZINC000411670570 563629143 /nfs/dbraw/zinc/62/91/43/563629143.db2.gz KYLNUANYFCCHQL-CYBMUJFWSA-N 1 0 382.302 2.544 20 0 GFADRO Cc1cccc(NC(=O)C(=O)NCC[C@H]2CCC[N@@H+](C)C2)c1Br ZINC000411678033 563629163 /nfs/dbraw/zinc/62/91/63/563629163.db2.gz UJXFXBOMGSLMRX-CYBMUJFWSA-N 1 0 382.302 2.544 20 0 GFADRO C[NH+](C)[C@@]1(CNc2c(Br)cccc2S(C)(=O)=O)CCSC1 ZINC000288180062 563632749 /nfs/dbraw/zinc/63/27/49/563632749.db2.gz BNMVGBNKRMQPEM-CQSZACIVSA-N 1 0 393.372 2.702 20 0 GFADRO Cc1ncsc1CCS(=O)(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000333458650 563633440 /nfs/dbraw/zinc/63/34/40/563633440.db2.gz UBDPIMROTHQXMY-RDJZCZTQSA-N 1 0 385.599 2.910 20 0 GFADRO CC1(NC(=O)c2cc(I)ccc2Cl)CC[NH2+]CC1 ZINC000434673366 563634399 /nfs/dbraw/zinc/63/43/99/563634399.db2.gz CRFDFSIGZZHYCM-UHFFFAOYSA-N 1 0 378.641 2.817 20 0 GFADRO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)c1cc(I)ccc1Cl ZINC000434705607 563635287 /nfs/dbraw/zinc/63/52/87/563635287.db2.gz GWSKZFAOYXSVJF-PELKAZGASA-N 1 0 378.641 2.815 20 0 GFADRO COCC[C@H](Cc1cccc(Br)c1)C(=O)N1CC[NH2+][C@@H](C)[C@@H]1C ZINC000434704540 563635341 /nfs/dbraw/zinc/63/53/41/563635341.db2.gz YLFCDLIKJAVVEB-OFQRWUPVSA-N 1 0 383.330 2.853 20 0 GFADRO C[N@H+](CCC(=O)NC(=O)NCC(F)(F)F)Cc1cccc(Br)c1 ZINC000434707417 563635591 /nfs/dbraw/zinc/63/55/91/563635591.db2.gz PAMSDSGHMUDWSR-UHFFFAOYSA-N 1 0 396.207 2.659 20 0 GFADRO Cc1cc(NC(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)c(F)cc1Br ZINC000333596749 563636572 /nfs/dbraw/zinc/63/65/72/563636572.db2.gz PVRNWCJXTONRJG-SMDDNHRTSA-N 1 0 396.264 2.589 20 0 GFADRO [NH3+][C@H]1CCO[C@H](C2CCN(S(=O)(=O)Cc3ccc(F)c(Cl)c3)CC2)C1 ZINC000333629919 563637398 /nfs/dbraw/zinc/63/73/98/563637398.db2.gz GKNVXPXHRWSTDG-YOEHRIQHSA-N 1 0 390.908 2.527 20 0 GFADRO O=C(NCc1cc2cc(Br)ccc2[nH]1)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000333651859 563638045 /nfs/dbraw/zinc/63/80/45/563638045.db2.gz VWWMYPDXFGQIRX-YPMHNXCESA-N 1 0 377.286 2.681 20 0 GFADRO O=C(NCc1cc2cc(Br)ccc2[nH]1)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000333651855 563638130 /nfs/dbraw/zinc/63/81/30/563638130.db2.gz VWWMYPDXFGQIRX-DGCLKSJQSA-N 1 0 377.286 2.681 20 0 GFADRO COCC(COC)[NH+]1CCN(CCOc2c(Cl)cccc2Cl)CC1 ZINC000411866152 563638498 /nfs/dbraw/zinc/63/84/98/563638498.db2.gz VOESQXVBGKWFFO-UHFFFAOYSA-N 1 0 377.312 2.651 20 0 GFADRO C[C@@H](C[NH+](C)C)NC(=O)C(=O)Nc1ccc(Br)c2ccccc12 ZINC000288349452 563639454 /nfs/dbraw/zinc/63/94/54/563639454.db2.gz ZBHPGHQCMVSACI-NSHDSACASA-N 1 0 378.270 2.607 20 0 GFADRO Brc1cccc2c1OCCC[C@H]2[NH2+][C@@H]1CCc2nnnn2CC1 ZINC000333711970 563639853 /nfs/dbraw/zinc/63/98/53/563639853.db2.gz IMSLLUAWDPEPSJ-BXUZGUMPSA-N 1 0 378.274 2.644 20 0 GFADRO C[C@@H](NC(=O)N1CCOc2ccc(Br)cc2C1)[C@@H]1CCC[NH2+]C1 ZINC000333731710 563640636 /nfs/dbraw/zinc/64/06/36/563640636.db2.gz WETCIXJQQWKURI-CHWSQXEVSA-N 1 0 382.302 2.741 20 0 GFADRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)N[C@@H]3CCN(c4ccc(Cl)c(Cl)c4)C3)C[C@H]12 ZINC000333787838 563641857 /nfs/dbraw/zinc/64/18/57/563641857.db2.gz MAFMDNZSIXOVNA-ALYFQZSWSA-N 1 0 383.323 2.951 20 0 GFADRO Brc1ccc2c(c1)OCCC[C@H]2[NH2+][C@H]1CCc2nnnn2CC1 ZINC000333781649 563641950 /nfs/dbraw/zinc/64/19/50/563641950.db2.gz UPUMGRWLHYCCHB-GXTWGEPZSA-N 1 0 378.274 2.644 20 0 GFADRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)N[C@@H]3C[C@H]3c3ccc(Br)c(F)c3)C[C@H]12 ZINC000333800055 563642447 /nfs/dbraw/zinc/64/24/47/563642447.db2.gz NYJZOEIXVVKXER-APCWTUGXSA-N 1 0 382.277 2.823 20 0 GFADRO CN(C)C(=O)[C@@H]1CC[N@H+](Cc2ccnc(-c3ccc(Br)cc3)n2)C1 ZINC000411962319 563642729 /nfs/dbraw/zinc/64/27/29/563642729.db2.gz ZORKXVFJHBVXFB-CQSZACIVSA-N 1 0 389.297 2.816 20 0 GFADRO COc1ccc(C(=O)N2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)cc1Br ZINC000333826756 563642985 /nfs/dbraw/zinc/64/29/85/563642985.db2.gz LSSWXXAJBGMVBA-WBVHZDCISA-N 1 0 397.313 2.816 20 0 GFADRO O=C(C[NH2+][C@@H](CO)[C@@H]1CCCOC1)Nc1ccc(Cl)cc1C(F)(F)F ZINC000411991459 563643366 /nfs/dbraw/zinc/64/33/66/563643366.db2.gz JELUHNMWTDVNLJ-YGRLFVJLSA-N 1 0 380.794 2.674 20 0 GFADRO C[C@@H](NC(=O)[C@H](C)[NH2+][C@H](CO)[C@H]1CCCOC1)c1ccc(Cl)cc1Cl ZINC000411986139 563643369 /nfs/dbraw/zinc/64/33/69/563643369.db2.gz FAZZHUQYIYZHQW-ZOPJHEKZSA-N 1 0 389.323 2.936 20 0 GFADRO Cc1cccc(S(=O)(=O)NCC[NH+]2CCCCCC2)c1Br ZINC000435207872 563644524 /nfs/dbraw/zinc/64/45/24/563644524.db2.gz OGKOQJPSKGCYNF-UHFFFAOYSA-N 1 0 375.332 2.912 20 0 GFADRO Cc1nc(S(=O)(=O)NCc2ccc(OCCC[NH+](C)C)cc2)sc1C ZINC000435219991 563645198 /nfs/dbraw/zinc/64/51/98/563645198.db2.gz KEVWPFFQNWSXDY-UHFFFAOYSA-N 1 0 383.539 2.569 20 0 GFADRO CN(C)c1cc(NC(=O)N2CCO[C@H](C3CCC3)C2)ncc1Br ZINC000333937507 563645929 /nfs/dbraw/zinc/64/59/29/563645929.db2.gz LPSLUKHPGJMXCB-AWEZNQCLSA-N 1 0 383.290 2.943 20 0 GFADRO O=C(c1ccn(-c2cccc(Br)c2)n1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000435246070 563647035 /nfs/dbraw/zinc/64/70/35/563647035.db2.gz PJOJOTVGLHSMJG-OAHLLOKOSA-N 1 0 375.270 2.601 20 0 GFADRO C[C@H](NC(=O)N[C@@H]1CCOc2ccc(Br)cc21)[C@H]1CCC[NH2+]C1 ZINC000333952134 563647278 /nfs/dbraw/zinc/64/72/78/563647278.db2.gz ZRRMYOHKHQEFFQ-SLEUVZQESA-N 1 0 382.302 2.960 20 0 GFADRO C[N@H+](CCC(=O)Nc1ccc(Br)cc1)C(C)(C)CN1CCOCC1 ZINC000412094782 563647806 /nfs/dbraw/zinc/64/78/06/563647806.db2.gz QPARLTFYDUEFNM-UHFFFAOYSA-N 1 0 398.345 2.820 20 0 GFADRO COC1CC[NH+](C(C)(C)CNC(=O)c2nc(C)sc2Br)CC1 ZINC000412099883 563648878 /nfs/dbraw/zinc/64/88/78/563648878.db2.gz HWBJSCZOEOWLPO-UHFFFAOYSA-N 1 0 390.347 2.833 20 0 GFADRO Cc1ccc(S(=O)(=O)N[C@H]2CCC[N@@H+](C(C)C)C2)cc1Br ZINC000435447494 563652209 /nfs/dbraw/zinc/65/22/09/563652209.db2.gz POQITKCBZIYKSK-ZDUSSCGKSA-N 1 0 375.332 2.909 20 0 GFADRO Cc1cc(Br)cc(C[NH2+][C@@H]2CS(=O)(=O)C[C@@H]2C)c1OC(F)F ZINC000288675868 563652693 /nfs/dbraw/zinc/65/26/93/563652693.db2.gz WSGIQEFFJZSYPY-JOYOIKCWSA-N 1 0 398.269 2.882 20 0 GFADRO Cc1ncsc1CN(C[C@@H]1CC[NH2+]C1)C(=O)CSc1ccc(O)cc1 ZINC000435595827 563654220 /nfs/dbraw/zinc/65/42/20/563654220.db2.gz VSAFITRMSVLRSU-CQSZACIVSA-N 1 0 377.535 2.888 20 0 GFADRO COc1ccc(Br)cc1CC(=O)Nc1nc2c(s1)C[C@@H]([NH3+])CC2 ZINC000288744632 563655739 /nfs/dbraw/zinc/65/57/39/563655739.db2.gz MQXJCBKQAPBVKY-NSHDSACASA-N 1 0 396.310 2.911 20 0 GFADRO CCC[C@@H]([NH2+]C(C)C)C(=O)Nc1cc(N2CCOCC2)c(Br)cn1 ZINC000412413640 563656384 /nfs/dbraw/zinc/65/63/84/563656384.db2.gz TUUYRMYJJWDZBG-CQSZACIVSA-N 1 0 399.333 2.786 20 0 GFADRO COC(=O)c1csc(S(=O)(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)c1 ZINC000435650146 563656410 /nfs/dbraw/zinc/65/64/10/563656410.db2.gz CYGOSJXYSHRFEW-HNNXBMFYSA-N 1 0 386.539 2.610 20 0 GFADRO Brc1ccc2oc(C[N@@H+]3CCC[C@H]3CN3CCOCC3)nc2c1 ZINC000288785093 563657119 /nfs/dbraw/zinc/65/71/19/563657119.db2.gz WUEGFSDGIRGDHX-AWEZNQCLSA-N 1 0 380.286 2.887 20 0 GFADRO C[NH+]1CCC(CNC(=O)c2cc(Cl)ccc2Cl)(N2CCOCC2)CC1 ZINC000412475429 563658786 /nfs/dbraw/zinc/65/87/86/563658786.db2.gz MTQMIPNRDZZSDY-UHFFFAOYSA-N 1 0 386.323 2.520 20 0 GFADRO COC(=O)CC[C@H]([NH3+])C(=O)Nc1cc(Br)cc(C(F)(F)F)c1 ZINC000288820637 563658835 /nfs/dbraw/zinc/65/88/35/563658835.db2.gz UFBKCBBZIUEZOQ-JTQLQIEISA-N 1 0 383.164 2.687 20 0 GFADRO C[C@H]1CCC[N@H+](CCNC(=O)[C@@H]2CC(=O)Nc3ccc(Br)cc32)C1 ZINC000435852658 563659340 /nfs/dbraw/zinc/65/93/40/563659340.db2.gz YKVIYCPPEWXCCK-SWLSCSKDSA-N 1 0 394.313 2.723 20 0 GFADRO CN(Cc1ccccc1Br)C(=O)Nc1ccnn1CC[NH+](C)C ZINC000436486357 563672104 /nfs/dbraw/zinc/67/21/04/563672104.db2.gz ITHOWAXPTYOZPM-UHFFFAOYSA-N 1 0 380.290 2.871 20 0 GFADRO COc1ccc(C[C@@H](CO)C[NH2+]Cc2cc(O)ccc2Br)cc1O ZINC000289453912 563674653 /nfs/dbraw/zinc/67/46/53/563674653.db2.gz NMBLECSLZIYMTI-CYBMUJFWSA-N 1 0 396.281 2.810 20 0 GFADRO CCCS(=O)(=O)Cc1noc(-c2ccc(C[NH+]3CCSCC3)cc2)n1 ZINC000350843851 563677609 /nfs/dbraw/zinc/67/76/09/563677609.db2.gz UURWXRKEXFZNJV-UHFFFAOYSA-N 1 0 381.523 2.610 20 0 GFADRO COCc1nc2n(n1)C[C@@H]([NH2+][C@H](C)Cc1ccc(F)cc1Br)CC2 ZINC000289743242 563684745 /nfs/dbraw/zinc/68/47/45/563684745.db2.gz NJNAHZJGXLUKHH-RISCZKNCSA-N 1 0 397.292 2.862 20 0 GFADRO CC[C@H](C)[N@H+](C)CCNC(=O)NCc1cc(Cl)cc(S(=O)(=O)CC)c1 ZINC000413237889 563686565 /nfs/dbraw/zinc/68/65/65/563686565.db2.gz HZKTWFVULSNRKP-ZDUSSCGKSA-N 1 0 389.949 2.663 20 0 GFADRO COc1cc(Br)c(CNC(=O)[C@H]2CC[NH2+][C@H]2C(C)C)cc1OC ZINC000289963842 563693131 /nfs/dbraw/zinc/69/31/31/563693131.db2.gz MYLXLJTUBRRMOQ-LRDDRELGSA-N 1 0 385.302 2.717 20 0 GFADRO COCC[C@@H]([NH2+]C1CCN(S(=O)(=O)c2cccs2)CC1)c1ccco1 ZINC000360642612 563693575 /nfs/dbraw/zinc/69/35/75/563693575.db2.gz PSEJTTCHIWZBKE-OAHLLOKOSA-N 1 0 384.523 2.862 20 0 GFADRO COc1cc(Br)c(CN2CC[C@@H](NC(=O)C3CCC3)C2)cc1O ZINC000360675760 563693682 /nfs/dbraw/zinc/69/36/82/563693682.db2.gz XFAYDSDLNZIWBQ-CYBMUJFWSA-N 1 0 383.286 2.654 20 0 GFADRO CC[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000289981519 563693720 /nfs/dbraw/zinc/69/37/20/563693720.db2.gz OAXIHXBJYCLCTC-XYPHTWIQSA-N 1 0 380.330 2.780 20 0 GFADRO COC(=O)[C@@H]1CN(c2ccnc3cc(Br)ccc32)CC[N@H+](C)C1 ZINC000413495734 563694547 /nfs/dbraw/zinc/69/45/47/563694547.db2.gz JQQDXRZEVOSQID-LBPRGKRZSA-N 1 0 378.270 2.538 20 0 GFADRO O=C(CCc1cc(Br)cs1)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000361701478 563701491 /nfs/dbraw/zinc/70/14/91/563701491.db2.gz PYTNYNDLNGERDQ-LSDHHAIUSA-N 1 0 387.343 2.501 20 0 GFADRO O=C(C[C@H]1CCC[NH2+]1)N1CCC[C@@H]1C(=O)Nc1ccc(Br)cc1 ZINC000361969320 563701788 /nfs/dbraw/zinc/70/17/88/563701788.db2.gz XRRFLBHDWYHULQ-HUUCEWRRSA-N 1 0 380.286 2.521 20 0 GFADRO COc1cc(Br)c(CN2CCC[N@@H+](C3CCOCC3)CC2)cc1O ZINC000361904663 563701864 /nfs/dbraw/zinc/70/18/64/563701864.db2.gz BABJEURMYIJFMA-UHFFFAOYSA-N 1 0 399.329 2.850 20 0 GFADRO C[C@H]([NH2+][C@@H](CO)C1CCCC1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000290268727 563703342 /nfs/dbraw/zinc/70/33/42/563703342.db2.gz VYJLOALOAMUDBF-XPTSAGLGSA-N 1 0 381.325 2.843 20 0 GFADRO Cc1cccc(C(=O)N(C)[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)c1Br ZINC000362130017 563703660 /nfs/dbraw/zinc/70/36/60/563703660.db2.gz MECSWBZDOXPNCD-MRXNPFEDSA-N 1 0 394.357 2.998 20 0 GFADRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)N[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000438374703 563704923 /nfs/dbraw/zinc/70/49/23/563704923.db2.gz GETITSZRKAEQMY-UKPHBRMFSA-N 1 0 386.323 2.995 20 0 GFADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)C[C@H]3Sc4ccc(Cl)cc4NC3=O)C[C@@H]21 ZINC000362283743 563705097 /nfs/dbraw/zinc/70/50/97/563705097.db2.gz LVWICSMMPZTVSU-DIOULYMOSA-N 1 0 379.913 2.696 20 0 GFADRO C[C@@H](O)c1ncc(C[NH2+]CCN2CCN(c3cccc(Cl)c3)CC2)s1 ZINC000290331896 563705232 /nfs/dbraw/zinc/70/52/32/563705232.db2.gz KJJZKXQHNCMRNI-CQSZACIVSA-N 1 0 380.945 2.762 20 0 GFADRO O=S1(=O)CCCN1CC[N@H+]1CCC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000438546030 563707435 /nfs/dbraw/zinc/70/74/35/563707435.db2.gz LTRHJFCFWPCQGC-AWEZNQCLSA-N 1 0 393.336 2.872 20 0 GFADRO C[C@H](C[C@@H](O)c1ccco1)[NH2+]C1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000362690751 563708422 /nfs/dbraw/zinc/70/84/22/563708422.db2.gz VTWNWCBIOVSKNV-UKRRQHHQSA-N 1 0 384.523 2.596 20 0 GFADRO C[N@@H+]1CC[C@H](CNC(=O)c2cc(C(N)=O)cs2)[C@@H]1c1cccc(Cl)c1 ZINC000363066221 563713660 /nfs/dbraw/zinc/71/36/60/563713660.db2.gz MHDCOQKKZXHVNV-WBMJQRKESA-N 1 0 377.897 2.923 20 0 GFADRO CS(=O)(=O)Nc1ccc(-c2csc([C@@H]3C[N@@H+]4CCC[C@@H]4CO3)n2)cc1 ZINC000363099744 563714042 /nfs/dbraw/zinc/71/40/42/563714042.db2.gz XQFFGBOIJSSARL-ZBFHGGJFSA-N 1 0 379.507 2.717 20 0 GFADRO Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000290645441 563717192 /nfs/dbraw/zinc/71/71/92/563717192.db2.gz ZDPPHWMYTMOKPR-VXGBXAGGSA-N 1 0 378.826 2.806 20 0 GFADRO CS(=O)(=O)c1cccc(Cl)c1C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000439173640 563718501 /nfs/dbraw/zinc/71/85/01/563718501.db2.gz XEYMUSNZQSMXQO-AWEZNQCLSA-N 1 0 384.929 2.834 20 0 GFADRO CC(C)n1cc2c(n1)C[C@@H]([NH2+][C@@H](C)Cn1cc(Br)ccc1=O)CC2 ZINC000414095392 563718762 /nfs/dbraw/zinc/71/87/62/563718762.db2.gz PJLZJYCYDSVGKL-BBRMVZONSA-N 1 0 393.329 2.924 20 0 GFADRO C[C@@H](C(=O)Nc1cccc(Br)c1)N1CC[NH+]([C@H]2CCSC2)CC1 ZINC000363364190 563720350 /nfs/dbraw/zinc/72/03/50/563720350.db2.gz MBOWQECBBDXJOE-BBRMVZONSA-N 1 0 398.370 2.899 20 0 GFADRO Brc1ccc2c(c1)[C@H]([NH2+]CC1(N3CCOCC3)CCOCC1)CC2 ZINC000414196994 563721838 /nfs/dbraw/zinc/72/18/38/563721838.db2.gz XITQUFNEQYYMEQ-GOSISDBHSA-N 1 0 395.341 2.907 20 0 GFADRO CCOC(=O)CN(C)C(=O)C[NH+]1CCC(c2cccc(Br)c2)CC1 ZINC000439316556 563722423 /nfs/dbraw/zinc/72/24/23/563722423.db2.gz LKYJFTZDCZFBHZ-UHFFFAOYSA-N 1 0 397.313 2.650 20 0 GFADRO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+][C@@H]2CCCC[C@H]2S(C)(=O)=O)c1 ZINC000414205773 563722488 /nfs/dbraw/zinc/72/24/88/563722488.db2.gz DEHHRNSMECRUDB-HZPDHXFCSA-N 1 0 393.958 2.579 20 0 GFADRO C[C@H]1CC[N@H+](C)CCN1C(=O)C(=O)Nc1ccc(C(F)(F)F)cc1Cl ZINC000439338635 563723176 /nfs/dbraw/zinc/72/31/76/563723176.db2.gz DDIPMUNJYGUISN-JTQLQIEISA-N 1 0 377.794 2.850 20 0 GFADRO C[C@@H]([NH2+][C@@H]1CS[C@H](C)C1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000414224414 563723435 /nfs/dbraw/zinc/72/34/35/563723435.db2.gz HUCCCLPHHUAWMY-KKZNHRDASA-N 1 0 379.345 2.641 20 0 GFADRO CCC(CC)[C@H](CNCc1ccc(S(N)(=O)=O)c(Cl)c1)[NH+]1CCCC1 ZINC000414268765 563724007 /nfs/dbraw/zinc/72/40/07/563724007.db2.gz KFHJDSAOKCJUPZ-KRWDZBQOSA-N 1 0 387.977 2.978 20 0 GFADRO C[C@H]([NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1)[C@H]1CCCOC1 ZINC000439453552 563725464 /nfs/dbraw/zinc/72/54/64/563725464.db2.gz KZWFUHDOSOZNJE-SLEUVZQESA-N 1 0 376.266 2.733 20 0 GFADRO C[NH+](C)Cc1cccc(NCc2ccc(S(N)(=O)=O)c(Br)c2)c1 ZINC000414286867 563725496 /nfs/dbraw/zinc/72/54/96/563725496.db2.gz DCPGMFZMJDFPGZ-UHFFFAOYSA-N 1 0 398.326 2.770 20 0 GFADRO C[N@H+](C[C@H](O)COc1cc(F)cc(Br)c1)CC1CCOCC1 ZINC000439443149 563725558 /nfs/dbraw/zinc/72/55/58/563725558.db2.gz NLPLPSKUHWPUTC-HNNXBMFYSA-N 1 0 376.266 2.686 20 0 GFADRO NC(=O)c1cn(CCCC[NH2+][C@@H](c2ccc(Br)s2)C2CC2)nn1 ZINC000414344537 563728239 /nfs/dbraw/zinc/72/82/39/563728239.db2.gz CSGMSRNDJFHJQQ-CQSZACIVSA-N 1 0 398.330 2.722 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+]C[C@@H]2CCc3ccccc32)cc1Br ZINC000414352780 563728651 /nfs/dbraw/zinc/72/86/51/563728651.db2.gz UROSEJFEAXOLCR-AWEZNQCLSA-N 1 0 395.322 2.916 20 0 GFADRO CC(C)N(CC[NH+](C)C)C(=O)[C@@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000439629074 563729875 /nfs/dbraw/zinc/72/98/75/563729875.db2.gz QJTMSFWKTLYITA-CQSZACIVSA-N 1 0 396.329 2.601 20 0 GFADRO CC(C)N(CC[NH+](C)C)C(=O)c1cc(F)ccc1I ZINC000439623072 563730028 /nfs/dbraw/zinc/73/00/28/563730028.db2.gz GCPFJTRGHJPSQW-UHFFFAOYSA-N 1 0 378.229 2.843 20 0 GFADRO COc1cc(C)ccc1C[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000414377015 563730931 /nfs/dbraw/zinc/73/09/31/563730931.db2.gz IIPRSHXGVKBXCP-UHFFFAOYSA-N 1 0 399.310 2.703 20 0 GFADRO CN1C(=O)CSC12CCN(Cc1nc3cc(Br)ccc3[nH]1)CC2 ZINC000363731361 563731741 /nfs/dbraw/zinc/73/17/41/563731741.db2.gz BMBCJSLEVKHLER-UHFFFAOYSA-N 1 0 395.326 2.823 20 0 GFADRO CC(C)[NH+](CCN(C)C(=O)c1nc2ccc(Br)cn2n1)C(C)C ZINC000414393887 563733059 /nfs/dbraw/zinc/73/30/59/563733059.db2.gz AQEHMYWUHXMNAR-UHFFFAOYSA-N 1 0 382.306 2.683 20 0 GFADRO CN(CCc1cccc(Br)c1)C(=O)NCC1([NH+](C)C)CCOCC1 ZINC000291262144 563736851 /nfs/dbraw/zinc/73/68/51/563736851.db2.gz OSWSTNKQTIDIHD-UHFFFAOYSA-N 1 0 398.345 2.744 20 0 GFADRO COCCCN(C(=O)COc1cccc(Br)c1)C1CC[NH+](C)CC1 ZINC000291281510 563737714 /nfs/dbraw/zinc/73/77/14/563737714.db2.gz SBQAYUQSFPTWMB-UHFFFAOYSA-N 1 0 399.329 2.787 20 0 GFADRO O=S(=O)(c1c(F)cccc1Cl)N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000414460469 563740741 /nfs/dbraw/zinc/74/07/41/563740741.db2.gz JNCXJPCMAKRFSN-AWEZNQCLSA-N 1 0 390.908 2.745 20 0 GFADRO COc1cc(C)c(Br)cc1S(=O)(=O)N[C@H]1CCC[C@@H]1[NH+](C)C ZINC000414465235 563741560 /nfs/dbraw/zinc/74/15/60/563741560.db2.gz QFTAZCJZRZFRGN-STQMWFEESA-N 1 0 391.331 2.527 20 0 GFADRO C[C@H]1CCCN(S(=O)(=O)c2cc(Br)ccc2Cl)[C@H]1C[NH3+] ZINC000440446611 563742457 /nfs/dbraw/zinc/74/24/57/563742457.db2.gz RRNXUAIZZVWCAA-CABZTGNLSA-N 1 0 381.723 2.850 20 0 GFADRO CCc1ncc(C[NH2+]C[C@@H](CO)Cc2ccc(OC)c(Br)c2)cn1 ZINC000414471039 563742488 /nfs/dbraw/zinc/74/24/88/563742488.db2.gz QDPWZRRNDKNBJS-AWEZNQCLSA-N 1 0 394.313 2.751 20 0 GFADRO O=C(NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc(Br)s1 ZINC000440510086 563743726 /nfs/dbraw/zinc/74/37/26/563743726.db2.gz WPAFBEMUJYPFJC-QGZVFWFLSA-N 1 0 395.322 2.877 20 0 GFADRO CCOc1cc(CN2CC[C@H](C[NH+]3CCOCC3)C2)cc(Br)c1O ZINC000291457118 563744097 /nfs/dbraw/zinc/74/40/97/563744097.db2.gz MVNITWLRPDMBDH-CQSZACIVSA-N 1 0 399.329 2.708 20 0 GFADRO COC(=O)[C@@H]1CN(Cc2cc(Br)c(Cl)s2)CC[N@H+](C)C1 ZINC000414495548 563744453 /nfs/dbraw/zinc/74/44/53/563744453.db2.gz XILAQBIPWXFLKG-VIFPVBQESA-N 1 0 381.723 2.701 20 0 GFADRO CCOc1c(Br)cc(C[N@@H+]2CC[C@H](C(=O)N(C)C)C2)cc1OC ZINC000414494484 563744621 /nfs/dbraw/zinc/74/46/21/563744621.db2.gz DXNFPCLXGOPBOT-ZDUSSCGKSA-N 1 0 385.302 2.767 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]C[C@@H]1C[C@@H](C)O[C@H]1C ZINC000414508993 563745277 /nfs/dbraw/zinc/74/52/77/563745277.db2.gz CCQKJVKUFQASOI-RFGFWPKPSA-N 1 0 399.329 2.866 20 0 GFADRO O=C(N[C@H]1CCC[NH2+]CC1)[C@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1 ZINC000364166005 563745597 /nfs/dbraw/zinc/74/55/97/563745597.db2.gz DHODEDOWJIHARA-XJKSGUPXSA-N 1 0 384.307 2.856 20 0 GFADRO [NH3+][C@@H]1CCC[C@@]12CCN(C(=O)c1ccc(I)c(F)c1)C2 ZINC000364199210 563745894 /nfs/dbraw/zinc/74/58/94/563745894.db2.gz AFHPNGGQLXSVCT-HIFRSBDPSA-N 1 0 388.224 2.774 20 0 GFADRO OC[C@@H]([NH2+]C1CCN(Cc2ccccc2Br)CC1)[C@@H]1CCCOC1 ZINC000414542143 563746101 /nfs/dbraw/zinc/74/61/01/563746101.db2.gz DDCBTXQSLBUSHP-VQIMIIECSA-N 1 0 397.357 2.791 20 0 GFADRO CCOc1cc(C[NH2+][C@H](CO)[C@H]2CCCOC2)cc(Br)c1OC ZINC000414547829 563746367 /nfs/dbraw/zinc/74/63/67/563746367.db2.gz GWPBXFFWARHRKI-DZGCQCFKSA-N 1 0 388.302 2.734 20 0 GFADRO COc1cc(Cl)c(S(=O)(=O)NCc2ccc([C@@H](C)[NH3+])cc2)cc1OC ZINC000440756788 563749587 /nfs/dbraw/zinc/74/95/87/563749587.db2.gz KCYGZVZFXDIPCB-LLVKDONJSA-N 1 0 384.885 2.855 20 0 GFADRO Cc1cc(I)ccc1NC(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000414679152 563750425 /nfs/dbraw/zinc/75/04/25/563750425.db2.gz LFFRQXOVSLPVEM-RISCZKNCSA-N 1 0 385.249 2.815 20 0 GFADRO [NH3+]CC[C@H]1CCCN(S(=O)(=O)c2cccc(Cl)c2Br)C1 ZINC000440809892 563750945 /nfs/dbraw/zinc/75/09/45/563750945.db2.gz OBEGIVOEAIBTDN-SNVBAGLBSA-N 1 0 381.723 2.852 20 0 GFADRO C[C@@H](CC[NH3+])NS(=O)(=O)c1ccc(Br)c(Cl)c1Cl ZINC000440827497 563751181 /nfs/dbraw/zinc/75/11/81/563751181.db2.gz QYLKBKUTDQSGCG-LURJTMIESA-N 1 0 376.103 2.772 20 0 GFADRO O=S(=O)(NCC[C@H]1CCC[NH2+]1)c1cc(Cl)c(Br)cc1F ZINC000440835530 563751103 /nfs/dbraw/zinc/75/11/03/563751103.db2.gz XFVRBTWAFZARDA-MRVPVSSYSA-N 1 0 385.686 2.662 20 0 GFADRO CS(=O)(=O)c1cc(C(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)c(Cl)cc1Cl ZINC000364380780 563751414 /nfs/dbraw/zinc/75/14/14/563751414.db2.gz UPEFGECQFCCSNO-LLVKDONJSA-N 1 0 391.320 2.707 20 0 GFADRO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NS(=O)(=O)c2cc(C)c(C)s2)cc1 ZINC000440840560 563751778 /nfs/dbraw/zinc/75/17/78/563751778.db2.gz ACWMLEWRSGOJKT-IRXDYDNUSA-N 1 0 380.535 2.798 20 0 GFADRO C[NH2+]Cc1ccc(NC(=O)C(=O)N(C)Cc2cc(Br)cs2)cc1 ZINC000414744814 563752106 /nfs/dbraw/zinc/75/21/06/563752106.db2.gz XBVHZKIPZQIYIY-UHFFFAOYSA-N 1 0 396.310 2.827 20 0 GFADRO C[C@@H]1C[C@H](C[NH3+])CN1S(=O)(=O)c1cc(Cl)c(Br)cc1F ZINC000440849763 563752573 /nfs/dbraw/zinc/75/25/73/563752573.db2.gz YFYXUOYZZFZYGO-HTQZYQBOSA-N 1 0 385.686 2.599 20 0 GFADRO CC(=O)NCCN(Cc1ccc(Br)s1)C[C@H]([NH3+])CC(C)C ZINC000414760158 563752667 /nfs/dbraw/zinc/75/26/67/563752667.db2.gz GLMQJMMTPHUOKR-CYBMUJFWSA-N 1 0 376.364 2.822 20 0 GFADRO Cc1c2cc(Cl)ccc2sc1CNC(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000441009297 563754019 /nfs/dbraw/zinc/75/40/19/563754019.db2.gz KKYASCRRKJWWLE-CQSZACIVSA-N 1 0 380.945 2.908 20 0 GFADRO CC[N@H+](Cc1ccc(I)c(Cl)c1)[C@@H]1CCNC1=O ZINC000440952770 563754067 /nfs/dbraw/zinc/75/40/67/563754067.db2.gz DNOKKVFTWBXKOQ-GFCCVEGCSA-N 1 0 378.641 2.655 20 0 GFADRO O=C(C[C@@H]1CCC[NH2+]CC1)NC[C@@H](O)COc1cccc(Cl)c1Cl ZINC000364488633 563754336 /nfs/dbraw/zinc/75/43/36/563754336.db2.gz ONHKNFGUKWOXAI-CHWSQXEVSA-N 1 0 375.296 2.629 20 0 GFADRO COc1cc(CNCC[C@H]2CCC[NH2+]2)cc(I)c1OC ZINC000414903639 563754374 /nfs/dbraw/zinc/75/43/74/563754374.db2.gz KFNCIKBLZIUDPJ-GFCCVEGCSA-N 1 0 390.265 2.540 20 0 GFADRO C[C@@H](COc1ccc2cc(Br)ccc2c1)[NH2+]C[C@@H]1CNCCN1C ZINC000414968871 563755534 /nfs/dbraw/zinc/75/55/34/563755534.db2.gz DGKLYPFGRIZAHH-KSSFIOAISA-N 1 0 392.341 2.863 20 0 GFADRO COc1cc(Br)cc(C)c1NC(=O)N1CC[C@@H](OC)C[C@@H]1C[NH3+] ZINC000414997756 563756880 /nfs/dbraw/zinc/75/68/80/563756880.db2.gz ZPKDJXJLZZLUST-CHWSQXEVSA-N 1 0 386.290 2.736 20 0 GFADRO CCN(CCOc1ccc(Br)cc1)C(=O)NCc1cncn1C ZINC000291758720 563757080 /nfs/dbraw/zinc/75/70/80/563757080.db2.gz DRFKVEAVEMLQJH-UHFFFAOYSA-N 1 0 381.274 2.793 20 0 GFADRO CC(C)c1nn(-c2ccc(Br)cc2)cc1CN(C)C[C@@H](O)C[NH3+] ZINC000415064857 563758010 /nfs/dbraw/zinc/75/80/10/563758010.db2.gz DXKXKEKGZNQVJI-INIZCTEOSA-N 1 0 381.318 2.510 20 0 GFADRO O=S(=O)(NCC[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1)c1ccc(F)cc1F ZINC000441338112 563758327 /nfs/dbraw/zinc/75/83/27/563758327.db2.gz RZSXWLVSVRJYPZ-JQWIXIFHSA-N 1 0 386.386 2.954 20 0 GFADRO Cc1[nH]c(=O)c(C(=O)N2CCC([NH2+]C3CCCC3)CC2)cc1Br ZINC000364599667 563758374 /nfs/dbraw/zinc/75/83/74/563758374.db2.gz ACNSQYHPQWPJSS-UHFFFAOYSA-N 1 0 382.302 2.995 20 0 GFADRO CN1CCC[C@]2(CC[N@H+](Cc3nc4cc(Br)ccc4[nH]3)C2)C1=O ZINC000364609644 563759468 /nfs/dbraw/zinc/75/94/68/563759468.db2.gz ZENYGGIWATWEMM-QGZVFWFLSA-N 1 0 377.286 2.770 20 0 GFADRO [NH3+][C@H]1CCC[C@H](NC(=O)Nc2cc(F)c(I)c(F)c2)C1 ZINC000415119679 563759721 /nfs/dbraw/zinc/75/97/21/563759721.db2.gz KRRLKJRWUMATDH-YUMQZZPRSA-N 1 0 395.191 2.961 20 0 GFADRO C[C@@](C[NH3+])(NC(=O)Nc1cc(F)c(I)c(F)c1)C1CC1 ZINC000415126692 563760560 /nfs/dbraw/zinc/76/05/60/563760560.db2.gz UUIAWAGYYSADFQ-ZDUSSCGKSA-N 1 0 395.191 2.818 20 0 GFADRO O=C1N[C@@H]2CN(Cc3ccc(Cl)c(Cl)c3)CC[C@@H]2N1C1CC[NH2+]CC1 ZINC000415146153 563760973 /nfs/dbraw/zinc/76/09/73/563760973.db2.gz YJICJYWXUODLLN-SJORKVTESA-N 1 0 383.323 2.714 20 0 GFADRO C[C@@H]([NH3+])[C@H](C)NC(=O)Nc1cc(Br)cnc1OCC(F)(F)F ZINC000415179053 563761714 /nfs/dbraw/zinc/76/17/14/563761714.db2.gz UEMJYQUPXYSDDE-RQJHMYQMSA-N 1 0 385.184 2.642 20 0 GFADRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)Nc1cc(Br)ccc1-n1cccn1 ZINC000415172792 563761898 /nfs/dbraw/zinc/76/18/98/563761898.db2.gz ZUEPYOONCIKCAQ-SMDDNHRTSA-N 1 0 378.274 2.754 20 0 GFADRO CC1(C)[C@@H]2OCCC[C@H]2[C@@]1([NH3+])C(=O)N1CCc2cc(Br)ccc21 ZINC000364728559 563762648 /nfs/dbraw/zinc/76/26/48/563762648.db2.gz BPPUWCKMVHVERP-DDUZABMNSA-N 1 0 379.298 2.871 20 0 GFADRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)Nc1cc(F)c(F)cc1I ZINC000415225045 563763239 /nfs/dbraw/zinc/76/32/39/563763239.db2.gz BKFJSNKVYHFMMW-JVXZTZIISA-N 1 0 395.191 2.689 20 0 GFADRO C[NH+]1CCC2(CCCN2C(=O)C(=O)Nc2ccc(F)cc2Br)CC1 ZINC000364766994 563763247 /nfs/dbraw/zinc/76/32/47/563763247.db2.gz CXDREUAYLIBREQ-UHFFFAOYSA-N 1 0 398.276 2.614 20 0 GFADRO [NH3+]CCCNC(=O)Nc1ccc(Br)cc1-c1nc(C2CC2)no1 ZINC000415263964 563764682 /nfs/dbraw/zinc/76/46/82/563764682.db2.gz KGJBEMBBDURFBN-UHFFFAOYSA-N 1 0 380.246 2.847 20 0 GFADRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1N(C)C(=O)CSc1nncs1 ZINC000364814333 563765065 /nfs/dbraw/zinc/76/50/65/563765065.db2.gz PDBGBVQVJUGBNI-GOEBONIOSA-N 1 0 376.551 2.999 20 0 GFADRO CC[C@H](C)Sc1ccc(NC(=O)C(=O)NCCC[NH3+])c(C(F)(F)F)c1 ZINC000415289530 563765632 /nfs/dbraw/zinc/76/56/32/563765632.db2.gz DAAUMOZOMDPRAK-JTQLQIEISA-N 1 0 377.432 3.000 20 0 GFADRO CCOc1cc(Br)ccc1NC(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000415298933 563765893 /nfs/dbraw/zinc/76/58/93/563765893.db2.gz MFJJOHWTUMNUPF-LBPRGKRZSA-N 1 0 378.217 2.967 20 0 GFADRO C[C@H]([NH3+])[C@H](C)NC(=O)Nc1cccc(Oc2ncc(Br)cn2)c1 ZINC000415300954 563766167 /nfs/dbraw/zinc/76/61/67/563766167.db2.gz LGZRPMGKFHORCO-UWVGGRQHSA-N 1 0 380.246 2.889 20 0 GFADRO CSCC[C@@H]1NC(=S)N([C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)C1=O ZINC000364867046 563766244 /nfs/dbraw/zinc/76/62/44/563766244.db2.gz BWEBILOXNZVBLG-XIRDDKMYSA-N 1 0 377.579 2.735 20 0 GFADRO O=C(Nc1cc(Cl)c(Cl)cc1Cl)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000441955728 563766265 /nfs/dbraw/zinc/76/62/65/563766265.db2.gz MCFAWPJRLVNAPQ-MRVPVSSYSA-N 1 0 376.671 2.938 20 0 GFADRO COC(=O)c1ccc(S(=O)(=O)NC[C@H](C)[NH+]2CCC(C)CC2)cc1Cl ZINC000441978131 563766545 /nfs/dbraw/zinc/76/65/45/563766545.db2.gz JOCTZFHFLFVWBA-ZDUSSCGKSA-N 1 0 388.917 2.525 20 0 GFADRO COC(=O)c1ccc(S(=O)(=O)NC[C@H](C)[N@@H+]2CCCC[C@@H]2C)cc1Cl ZINC000441984052 563767008 /nfs/dbraw/zinc/76/70/08/563767008.db2.gz BNABYSICSLOQJJ-STQMWFEESA-N 1 0 388.917 2.668 20 0 GFADRO CC(=O)Nc1nc(CN[C@@H]2CC[N@@H+](Cc3cnc(C)s3)C[C@H]2C)cs1 ZINC000364900810 563767940 /nfs/dbraw/zinc/76/79/40/563767940.db2.gz ZOWVFKVIKNJVTM-BDJLRTHQSA-N 1 0 379.555 2.867 20 0 GFADRO CCOC(=O)c1c(NC(=O)NC[C@@H]2CCC[NH2+]C2)sc2c1CCSC2 ZINC000415343252 563768199 /nfs/dbraw/zinc/76/81/99/563768199.db2.gz SJSWJLGRWIYMLR-LLVKDONJSA-N 1 0 383.539 2.835 20 0 GFADRO CCOC(=O)c1c(NC(=O)N[C@@H](CC[NH3+])C(F)F)sc2c1CCSC2 ZINC000415342676 563768227 /nfs/dbraw/zinc/76/82/27/563768227.db2.gz REIZBFDSLSUNBE-VIFPVBQESA-N 1 0 393.481 2.818 20 0 GFADRO [NH3+][C@@H]1CN(S(=O)(=O)c2ccc(Cl)nc2Cl)C[C@@H]1c1ccc(F)cc1 ZINC000364911086 563768642 /nfs/dbraw/zinc/76/86/42/563768642.db2.gz GUHHCUSYHVLWRK-VXGBXAGGSA-N 1 0 390.267 2.643 20 0 GFADRO CCOC(=O)c1cc(Br)ccc1NC(=O)N1CC[NH2+]C(C)(C)C1 ZINC000415346661 563768873 /nfs/dbraw/zinc/76/88/73/563768873.db2.gz HXWCWDWRKRXFJC-UHFFFAOYSA-N 1 0 384.274 2.842 20 0 GFADRO C[NH2+][C@H]1CCCN(C(=O)C(=O)Nc2cccnc2-c2ccc(Cl)s2)C1 ZINC000415351973 563769315 /nfs/dbraw/zinc/76/93/15/563769315.db2.gz AKZZTYNOLRNRTF-NSHDSACASA-N 1 0 378.885 2.612 20 0 GFADRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)Nc1cccc(F)c1I ZINC000415353268 563769518 /nfs/dbraw/zinc/76/95/18/563769518.db2.gz CLQUUOKVYQLNKF-DTWKUNHWSA-N 1 0 377.201 2.631 20 0 GFADRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)Nc1cnn(-c2ccccc2Br)c1 ZINC000415350628 563769568 /nfs/dbraw/zinc/76/95/68/563769568.db2.gz GHHQYJBEZNWXIT-BXUZGUMPSA-N 1 0 378.274 2.754 20 0 GFADRO O=C(NCCC[NH2+]C1CC1)Nc1cccc(F)c1I ZINC000415366904 563771401 /nfs/dbraw/zinc/77/14/01/563771401.db2.gz XKMQRPRRPNQHJG-UHFFFAOYSA-N 1 0 377.201 2.694 20 0 GFADRO [NH3+]C1CCC(NC(=O)C(=O)Nc2cc(F)c(Br)c(Cl)c2)CC1 ZINC000415374029 563771407 /nfs/dbraw/zinc/77/14/07/563771407.db2.gz UXLITHXMURBOHR-UHFFFAOYSA-N 1 0 392.656 2.566 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)c(Br)c1 ZINC000442336892 563771602 /nfs/dbraw/zinc/77/16/02/563771602.db2.gz SZSTUIVLVWQYLW-ZDUSSCGKSA-N 1 0 394.313 2.771 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N[C@H](C)C2=CC[N@H+](C)CC2)c(Br)c1 ZINC000442336891 563771763 /nfs/dbraw/zinc/77/17/63/563771763.db2.gz SZSTUIVLVWQYLW-CYBMUJFWSA-N 1 0 394.313 2.771 20 0 GFADRO COc1ccc(C(=O)N[C@@H](C)CCCC[NH3+])c(I)c1 ZINC000292057636 563771885 /nfs/dbraw/zinc/77/18/85/563771885.db2.gz JVIOTPGIUUCVMX-JTQLQIEISA-N 1 0 376.238 2.547 20 0 GFADRO Cc1cc(F)c(NC(=O)N2CC[C@H]([C@H](C)[NH3+])C2)c(I)c1 ZINC000415391427 563771975 /nfs/dbraw/zinc/77/19/75/563771975.db2.gz LQYQOTYZVUFEIW-UWVGGRQHSA-N 1 0 391.228 2.940 20 0 GFADRO COC[C@]1(CNC(=O)Nc2cc(F)c(Br)c(F)c2)CCC[NH2+]1 ZINC000415401001 563772597 /nfs/dbraw/zinc/77/25/97/563772597.db2.gz GMPQCVOMUHEVCV-CQSZACIVSA-N 1 0 378.217 2.617 20 0 GFADRO COC(=O)c1cc(NC(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])ccc1Br ZINC000415404589 563773029 /nfs/dbraw/zinc/77/30/29/563773029.db2.gz LSHUSAMCPMECMV-QMTHXVAHSA-N 1 0 384.274 2.875 20 0 GFADRO CCCN(C(=O)C(=O)Nc1ccc(Cl)c(Br)c1)[C@@H]1CC[NH2+]C1 ZINC000415402608 563773123 /nfs/dbraw/zinc/77/31/23/563773123.db2.gz KNRXOXLERXNZIN-LLVKDONJSA-N 1 0 388.693 2.642 20 0 GFADRO COCCOc1ccc(Br)cc1NC(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000415424674 563774290 /nfs/dbraw/zinc/77/42/90/563774290.db2.gz JERINUJARBSLPA-QGZVFWFLSA-N 1 0 398.301 2.692 20 0 GFADRO COCCOc1ccc(Br)cc1NC(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000415422855 563774314 /nfs/dbraw/zinc/77/43/14/563774314.db2.gz FLMUHQCHMJFTMO-DGCLKSJQSA-N 1 0 386.290 2.723 20 0 GFADRO CN1CC[NH+](C[C@H]2CCCN(C(=O)c3ccc(F)cc3Br)C2)CC1 ZINC000365114189 563774479 /nfs/dbraw/zinc/77/44/79/563774479.db2.gz CUXTXPWXEACFAM-CQSZACIVSA-N 1 0 398.320 2.688 20 0 GFADRO C[N@@H+]1CC[C@@]2(CCN(S(=O)(=O)c3ccc(Cl)cc3Br)C2)C1 ZINC000292119201 563774780 /nfs/dbraw/zinc/77/47/80/563774780.db2.gz WKSAUCCOVDDPNT-CQSZACIVSA-N 1 0 393.734 2.819 20 0 GFADRO CC(C)(C)NC(=O)CN1CCCN(Cc2cnc(C(F)(F)F)s2)CC1 ZINC000365117249 563774850 /nfs/dbraw/zinc/77/48/50/563774850.db2.gz CFOZFEIWLILQFX-UHFFFAOYSA-N 1 0 378.464 2.584 20 0 GFADRO Cc1nc2cc(Cl)c(NC(=O)C(=O)N3CCC[C@H]([C@H](C)[NH3+])C3)cc2s1 ZINC000415429813 563774894 /nfs/dbraw/zinc/77/48/94/563774894.db2.gz DXJADDDXPWTXIX-ONGXEEELSA-N 1 0 380.901 2.782 20 0 GFADRO CC(=O)N[C@@H](CC(=O)N1CCC[C@H](CC[NH3+])C1)c1ccc(Br)cc1 ZINC000442607558 563775317 /nfs/dbraw/zinc/77/53/17/563775317.db2.gz SLOQQJIAXMLAMK-PBHICJAKSA-N 1 0 396.329 2.604 20 0 GFADRO C[C@@H](C(=O)N(C)CCCN1CC[NH+](C)CC1)c1cccc(Br)c1 ZINC000292148486 563775884 /nfs/dbraw/zinc/77/58/84/563775884.db2.gz PIKOUAWOJNRQLB-OAHLLOKOSA-N 1 0 382.346 2.649 20 0 GFADRO Cc1cc(Cl)cc(NC(=O)C(=O)N2CC[C@@H]([NH3+])[C@H](C)C2)c1Br ZINC000415442459 563776224 /nfs/dbraw/zinc/77/62/24/563776224.db2.gz NLGBFHIAQAEZDI-MWLCHTKSSA-N 1 0 388.693 2.545 20 0 GFADRO CCOCCOc1ccc(Br)cc1NC(=O)NCC1([NH3+])CCC1 ZINC000415447662 563776246 /nfs/dbraw/zinc/77/62/46/563776246.db2.gz ITVCJSBSRMLLHT-UHFFFAOYSA-N 1 0 386.290 2.867 20 0 GFADRO COC(=O)c1cc(Br)c(F)cc1NC(=O)N(C)[C@@H](C[NH3+])C1CC1 ZINC000415463655 563776944 /nfs/dbraw/zinc/77/69/44/563776944.db2.gz BTWPJZNFUDFNNQ-ZDUSSCGKSA-N 1 0 388.237 2.576 20 0 GFADRO Cc1cccc(NC(=O)C(=O)N2CCC([NH2+]CC3CC3)CC2)c1Br ZINC000415456960 563776957 /nfs/dbraw/zinc/77/69/57/563776957.db2.gz WWTZONUUVMPKMP-UHFFFAOYSA-N 1 0 394.313 2.687 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)Nc2ccc(C(F)(F)F)cc2Cl)C1 ZINC000415458636 563777007 /nfs/dbraw/zinc/77/70/07/563777007.db2.gz YQSPGWBXCRAIPN-UWVGGRQHSA-N 1 0 377.794 2.883 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)Nc2cc(Cl)ccc2Br)C1 ZINC000415453226 563777012 /nfs/dbraw/zinc/77/70/12/563777012.db2.gz UQEPDPCHXAJYFM-NXEZZACHSA-N 1 0 388.693 2.627 20 0 GFADRO COC(=O)c1cc(Br)c(F)cc1NC(=O)N[C@@H]1CCC[NH2+][C@@H]1C ZINC000415472665 563777769 /nfs/dbraw/zinc/77/77/69/563777769.db2.gz YFLIMAHTMQOLDJ-PRHODGIISA-N 1 0 388.237 2.637 20 0 GFADRO CC[NH2+]CC1CCN(C(=O)C(=O)Nc2cccc(Br)c2C)CC1 ZINC000415475911 563778355 /nfs/dbraw/zinc/77/83/55/563778355.db2.gz JYXULIGAJNIQJX-UHFFFAOYSA-N 1 0 382.302 2.544 20 0 GFADRO CN(CC(C)(C)C[NH3+])C(=O)C(=O)Nc1cc(F)ccc1SCC(F)F ZINC000415478679 563778414 /nfs/dbraw/zinc/77/84/14/563778414.db2.gz DGVWCNFGCJNNPL-UHFFFAOYSA-N 1 0 377.432 2.565 20 0 GFADRO CCNc1ccc(S(=O)(=O)C(F)F)cc1NC(=O)CC[C@@H]1CCC[NH2+]1 ZINC000292207009 563778622 /nfs/dbraw/zinc/77/86/22/563778622.db2.gz YQICECHWRORBGR-NSHDSACASA-N 1 0 375.441 2.585 20 0 GFADRO CCC([NH3+])(CC)CNC(=O)C(=O)Nc1cccc(Cl)c1OCC(F)F ZINC000415494227 563778924 /nfs/dbraw/zinc/77/89/24/563778924.db2.gz QBTJYMLXWNEJID-UHFFFAOYSA-N 1 0 377.819 2.556 20 0 GFADRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)Nc1ccc(Cl)c(OC(F)F)c1 ZINC000415492410 563779062 /nfs/dbraw/zinc/77/90/62/563779062.db2.gz BWJZIUAOERQJHR-LBPRGKRZSA-N 1 0 377.819 2.712 20 0 GFADRO C[C@@H](C(=O)NCCN1CCC([NH+](C)C)CC1)c1cccc(Br)c1 ZINC000292230752 563779601 /nfs/dbraw/zinc/77/96/01/563779601.db2.gz UFRXPDYAITVLPQ-CQSZACIVSA-N 1 0 382.346 2.695 20 0 GFADRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)Nc1cc(Cl)ccc1Br ZINC000415500914 563779643 /nfs/dbraw/zinc/77/96/43/563779643.db2.gz MCGQRABLLQFVSD-LBPRGKRZSA-N 1 0 390.709 2.873 20 0 GFADRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)Nc1nnc(-c2cccc(Br)c2)s1 ZINC000415498588 563779887 /nfs/dbraw/zinc/77/98/87/563779887.db2.gz JWBTZNIDTUQNLL-ZJUUUORDSA-N 1 0 396.314 3.169 20 0 GFADRO O=C(Nc1ccnn1Cc1cccc(Cl)c1Cl)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000415523291 563781619 /nfs/dbraw/zinc/78/16/19/563781619.db2.gz PLEJNWDIHMATKZ-BETUJISGSA-N 1 0 380.279 2.921 20 0 GFADRO O=C(Nc1ccnn1Cc1cccc(Br)c1)N[C@H]1CCC[NH2+]C1 ZINC000415526064 563781975 /nfs/dbraw/zinc/78/19/75/563781975.db2.gz IRNYHBNMJHRMJO-AWEZNQCLSA-N 1 0 378.274 2.567 20 0 GFADRO C[C@@H]([NH2+]CCNS(=O)(=O)c1ccc(Cl)cc1F)C1CCSCC1 ZINC000442867455 563782064 /nfs/dbraw/zinc/78/20/64/563782064.db2.gz LPZWFYVFXJZUIF-LLVKDONJSA-N 1 0 380.938 2.879 20 0 GFADRO CC1(C)[NH2+]CC[C@H]1NC(=O)Nc1ccnn1Cc1ccccc1Br ZINC000415524644 563782168 /nfs/dbraw/zinc/78/21/68/563782168.db2.gz UOLKCKSLDXEYEY-CQSZACIVSA-N 1 0 392.301 2.956 20 0 GFADRO C[C@H]1C[C@H](CNC(=O)c2cc(Br)nn2C)C[N@@H+]1Cc1ccccc1 ZINC000365419055 563782424 /nfs/dbraw/zinc/78/24/24/563782424.db2.gz AABGRCMRQDSTAH-DZGCQCFKSA-N 1 0 391.313 2.823 20 0 GFADRO C[C@@H]1C[C@H](CNC(=O)c2cc(Br)nn2C)C[N@@H+]1Cc1ccccc1 ZINC000365419058 563782467 /nfs/dbraw/zinc/78/24/67/563782467.db2.gz AABGRCMRQDSTAH-UKRRQHHQSA-N 1 0 391.313 2.823 20 0 GFADRO C[NH+](C)C/C=C/C(=O)N1CCC(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000365400483 563782482 /nfs/dbraw/zinc/78/24/82/563782482.db2.gz IMSIHFCAKAUCHF-ONEGZZNKSA-N 1 0 394.313 2.744 20 0 GFADRO [NH3+]CCCCNC(=O)Nc1nc2ccc(I)cc2s1 ZINC000415529254 563782708 /nfs/dbraw/zinc/78/27/08/563782708.db2.gz PKUDZWTXWUNSKA-UHFFFAOYSA-N 1 0 390.250 2.761 20 0 GFADRO CO[C@@H]1CCN(C(=O)Nc2cc(F)cc(F)c2Br)[C@@H](C[NH3+])C1 ZINC000415556755 563784391 /nfs/dbraw/zinc/78/43/91/563784391.db2.gz IOVCJXLUEIZHBZ-NXEZZACHSA-N 1 0 378.217 2.697 20 0 GFADRO CC1(CNC(=O)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)CC[NH2+]CC1 ZINC000415576166 563784992 /nfs/dbraw/zinc/78/49/92/563784992.db2.gz VNJBUNXSFTUXAL-UHFFFAOYSA-N 1 0 377.794 2.803 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)NCC2(C)CC[NH2+]CC2)cc1Br ZINC000415574877 563785129 /nfs/dbraw/zinc/78/51/29/563785129.db2.gz SCZYKUZQPLGMRI-UHFFFAOYSA-N 1 0 382.302 2.510 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)Nc2ccc(Br)c3ccccc23)C1 ZINC000415585866 563785708 /nfs/dbraw/zinc/78/57/08/563785708.db2.gz XSAAWNIRXLZSEF-VXGBXAGGSA-N 1 0 390.281 2.737 20 0 GFADRO COc1ccc(NC(=O)N2CC[NH2+]C(C)(C)C2)c(I)c1 ZINC000415598848 563786333 /nfs/dbraw/zinc/78/63/33/563786333.db2.gz POESARLIVNFGCR-UHFFFAOYSA-N 1 0 389.237 2.516 20 0 GFADRO COc1ccc(NC(=O)N2CC[C@@H]([C@H](C)[NH3+])C2)c(I)c1 ZINC000415597117 563786378 /nfs/dbraw/zinc/78/63/78/563786378.db2.gz MTTKBNIHAFPQHI-VHSXEESVSA-N 1 0 389.237 2.501 20 0 GFADRO COC(=O)c1cccc(NC(=O)N2CCCC[C@H]2[C@@H](C)[NH3+])c1Br ZINC000415603623 563786893 /nfs/dbraw/zinc/78/68/93/563786893.db2.gz DLXAMHUNMWVVCT-MFKMUULPSA-N 1 0 384.274 2.969 20 0 GFADRO COC(=O)c1c(C)c(NC(=O)N2CC[C@H]([NH3+])[C@H](C)C2)ccc1Br ZINC000415604878 563787434 /nfs/dbraw/zinc/78/74/34/563787434.db2.gz WQNIJBXYUIUJTM-SKDRFNHKSA-N 1 0 384.274 2.745 20 0 GFADRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)Nc1cccnc1-c1ccc(Cl)s1 ZINC000415604930 563787471 /nfs/dbraw/zinc/78/74/71/563787471.db2.gz CBFQSSYEHRVWHJ-CMPLNLGQSA-N 1 0 378.885 2.516 20 0 GFADRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)Nc1cccnc1-c1ccc(Cl)s1 ZINC000415604931 563787492 /nfs/dbraw/zinc/78/74/92/563787492.db2.gz CBFQSSYEHRVWHJ-JQWIXIFHSA-N 1 0 378.885 2.516 20 0 GFADRO COC(=O)c1cc(NC(=O)N2C[C@H](C[NH3+])C[C@H]2C)cc(Br)c1F ZINC000415615186 563788069 /nfs/dbraw/zinc/78/80/69/563788069.db2.gz QKLOXEIUNLTKLI-BDAKNGLRSA-N 1 0 388.237 2.576 20 0 GFADRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)Nc1ccc(Br)c2ccccc12 ZINC000415632472 563789541 /nfs/dbraw/zinc/78/95/41/563789541.db2.gz XWQJZHGKLZUEGJ-BDJLRTHQSA-N 1 0 390.281 2.655 20 0 GFADRO [NH3+]CC[C@@H]1CCCN(Cc2nc(Cc3cccc(Br)c3)no2)C1 ZINC000443058091 563789650 /nfs/dbraw/zinc/78/96/50/563789650.db2.gz JDPCEQLZFDNYMP-ZDUSSCGKSA-N 1 0 379.302 2.984 20 0 GFADRO CC[NH2+][C@H](C)CNC(=O)C(=O)Nc1ccc(C(F)(F)F)cc1Br ZINC000415663570 563790693 /nfs/dbraw/zinc/79/06/93/563790693.db2.gz YKZOHHYSUODWDA-MRVPVSSYSA-N 1 0 396.207 2.521 20 0 GFADRO CCOc1c(Cl)cc(NC(=O)C(=O)N2CCC[C@@H](CC[NH3+])C2)cc1Cl ZINC000415674544 563790699 /nfs/dbraw/zinc/79/06/99/563790699.db2.gz FDICIJXOOLLGRQ-NSHDSACASA-N 1 0 388.295 2.918 20 0 GFADRO COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000415677990 563791187 /nfs/dbraw/zinc/79/11/87/563791187.db2.gz PRMYLJUJMJRFJO-CQSZACIVSA-N 1 0 388.295 2.835 20 0 GFADRO CC1(C)CCC[NH2+][C@@H]1CNC(=O)C(=O)Nc1cc(Cl)c(Cl)cc1F ZINC000415679080 563791488 /nfs/dbraw/zinc/79/14/88/563791488.db2.gz RHAJDPGARUWKGR-CYBMUJFWSA-N 1 0 376.259 2.965 20 0 GFADRO COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000415729697 563793297 /nfs/dbraw/zinc/79/32/97/563793297.db2.gz UOYWWOQFTZBISM-XYPYZODXSA-N 1 0 388.295 2.822 20 0 GFADRO C[C@H](CCCC[NH3+])NC(=O)C(=O)Nc1cccc(Cl)c1OCC(F)F ZINC000415743110 563793943 /nfs/dbraw/zinc/79/39/43/563793943.db2.gz NMOSLZSKTXEQIT-SNVBAGLBSA-N 1 0 377.819 2.556 20 0 GFADRO C[C@@H]1CCN(C(=O)Nc2ccn(-c3ccc(Br)cc3)n2)[C@@H](C[NH3+])C1 ZINC000415753443 563794398 /nfs/dbraw/zinc/79/43/98/563794398.db2.gz GQXPEFIDCWTJCT-IUODEOHRSA-N 1 0 392.301 3.226 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)c(Br)c1 ZINC000415752828 563794794 /nfs/dbraw/zinc/79/47/94/563794794.db2.gz XZDQFYSZBCHWTP-DZGCQCFKSA-N 1 0 394.313 2.509 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)Nc2ccn(-c3ccc(Br)cc3)n2)C1 ZINC000415761769 563795259 /nfs/dbraw/zinc/79/52/59/563795259.db2.gz VDSCVYHKKNATRX-CHWSQXEVSA-N 1 0 392.301 3.226 20 0 GFADRO C[N@@H+]1CC[C@]2(CCN(C(=O)Nc3cccc(I)c3)C2)C1 ZINC000292777483 563795332 /nfs/dbraw/zinc/79/53/32/563795332.db2.gz LPHWSBLMWQFKIK-HNNXBMFYSA-N 1 0 385.249 2.851 20 0 GFADRO CO[C@@H]1CCN(C(=O)Nc2cccc3c(Br)ccnc23)[C@@H](C[NH3+])C1 ZINC000415794301 563796866 /nfs/dbraw/zinc/79/68/66/563796866.db2.gz VRGXFFOXIVMEMP-VXGBXAGGSA-N 1 0 393.285 2.967 20 0 GFADRO CN(Cc1cc(Br)cn1C)C(=O)NCC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000366052872 563797275 /nfs/dbraw/zinc/79/72/75/563797275.db2.gz NFLBKFGENAYKLW-LQDVMPOASA-N 1 0 383.334 2.802 20 0 GFADRO Cc1ccc(-c2csc(NC(=O)C(=O)NC[C@@H]3CCC[C@@H]([NH3+])C3)n2)s1 ZINC000415814139 563797557 /nfs/dbraw/zinc/79/75/57/563797557.db2.gz QXUAWJGDFDTYIE-VXGBXAGGSA-N 1 0 378.523 2.752 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c(Br)c1 ZINC000415869980 563799469 /nfs/dbraw/zinc/79/94/69/563799469.db2.gz LISVTCIHWCLLLE-HZSPNIEDSA-N 1 0 394.313 2.509 20 0 GFADRO CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)C(=O)Nc2ccc(Br)cc2)CC1 ZINC000415863427 563799732 /nfs/dbraw/zinc/79/97/32/563799732.db2.gz RNQRLBCYWNVGLR-OAHLLOKOSA-N 1 0 394.313 2.624 20 0 GFADRO CC(C)c1cc(Br)ccc1NC(=O)C(=O)NCCC[NH2+]C1CC1 ZINC000415873253 563800182 /nfs/dbraw/zinc/80/01/82/563800182.db2.gz UMPWLPUNKIYZPN-UHFFFAOYSA-N 1 0 382.302 2.769 20 0 GFADRO [NH3+]CC[C@@H](NC(=O)N[C@@H]1CCOc2ccc(Br)cc21)C(F)(F)F ZINC000415993488 563801608 /nfs/dbraw/zinc/80/16/08/563801608.db2.gz JFFRVILSPPCBIG-ZYHUDNBSSA-N 1 0 396.207 2.852 20 0 GFADRO CCOc1c(Cl)cc(CNC(=O)N[C@@H](CC[NH3+])C(F)(F)F)cc1OC ZINC000416000127 563801983 /nfs/dbraw/zinc/80/19/83/563801983.db2.gz XORGJIAJGMMCEI-LBPRGKRZSA-N 1 0 383.798 2.826 20 0 GFADRO CN(CCOc1ccc(Br)cc1)C(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000415994229 563802013 /nfs/dbraw/zinc/80/20/13/563802013.db2.gz KYOVDMBNQCLDIL-LBPRGKRZSA-N 1 0 398.223 2.749 20 0 GFADRO Cn1cc(CCNC(=O)N[C@H](CC[NH3+])C(F)(F)F)c2ccc(Cl)cc21 ZINC000416035191 563803187 /nfs/dbraw/zinc/80/31/87/563803187.db2.gz VBBNWKLDBQUIDS-CQSZACIVSA-N 1 0 376.810 2.953 20 0 GFADRO COCCC[N@@H+]1CCCN(C(=O)Cc2sc(SC(F)F)nc2C)CC1 ZINC000366263288 563803529 /nfs/dbraw/zinc/80/35/29/563803529.db2.gz CFQROROQHPBXTN-UHFFFAOYSA-N 1 0 393.525 2.880 20 0 GFADRO Cc1ccc(Br)c(C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)c1 ZINC000366288043 563804189 /nfs/dbraw/zinc/80/41/89/563804189.db2.gz IOCDIICOWICXKJ-AWEZNQCLSA-N 1 0 380.330 2.656 20 0 GFADRO O=S(=O)(N[C@H]1CC12CC[NH2+]CC2)c1cc(Cl)ccc1Br ZINC000366369739 563806990 /nfs/dbraw/zinc/80/69/90/563806990.db2.gz PULBDLBOMNSGTN-LBPRGKRZSA-N 1 0 379.707 2.523 20 0 GFADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)c1cc(C=O)c[nH]1 ZINC000293291664 563807138 /nfs/dbraw/zinc/80/71/38/563807138.db2.gz OUBVSTZSCUAVQQ-UHFFFAOYSA-N 1 0 378.270 2.794 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)[C@H]2CCN(c3cc(Cl)cc(Cl)c3)C2=O)C1 ZINC000366416858 563807661 /nfs/dbraw/zinc/80/76/61/563807661.db2.gz ZVYSIWQUWOODCD-HWWQOWPSSA-N 1 0 384.307 2.932 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)[C@@H]2CCCN(c3ccc(Br)cn3)C2)C1 ZINC000366413920 563807778 /nfs/dbraw/zinc/80/77/78/563807778.db2.gz KXJACECFPCFHJW-SOUVJXGZSA-N 1 0 395.345 2.646 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2C(=O)COc1cccc(Br)c1 ZINC000366438096 563808111 /nfs/dbraw/zinc/80/81/11/563808111.db2.gz NIOMMBMBJCWJFI-PVAVHDDUSA-N 1 0 397.313 2.538 20 0 GFADRO C[C@H](CNc1ccnc2c(Br)ccc(F)c12)[NH+]1CCN(C)CC1 ZINC000443524910 563808160 /nfs/dbraw/zinc/80/81/60/563808160.db2.gz WNLUWMUKZJAMDX-GFCCVEGCSA-N 1 0 381.293 2.606 20 0 GFADRO COCCOCC[NH2+]C1(Cc2ccc(F)cc2Br)CCOCC1 ZINC000293446980 563812710 /nfs/dbraw/zinc/81/27/10/563812710.db2.gz CGQRNAJUHSHDPN-UHFFFAOYSA-N 1 0 390.293 2.933 20 0 GFADRO Cc1ccc(C(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)cc1I ZINC000366550813 563813661 /nfs/dbraw/zinc/81/36/61/563813661.db2.gz HFTGRCVMCMQLMO-MRXNPFEDSA-N 1 0 384.261 2.767 20 0 GFADRO Cc1ccc(CCC(=O)N2C[C@H](C)[N@@H+](CCO)C[C@H]2C)c(Br)c1 ZINC000416302674 563813877 /nfs/dbraw/zinc/81/38/77/563813877.db2.gz GIILVLVPNIPGLL-LSDHHAIUSA-N 1 0 383.330 2.604 20 0 GFADRO C[C@@H]1CN(C(=O)CCCc2ccccc2Br)[C@@H](C)C[N@@H+]1CCO ZINC000416317971 563816055 /nfs/dbraw/zinc/81/60/55/563816055.db2.gz XFJLBWHZIDJERL-CABCVRRESA-N 1 0 383.330 2.685 20 0 GFADRO COC(=O)Cc1csc(NC(=O)CN2C[C@@H](c3cccs3)C[C@@H]2C)n1 ZINC000366617442 563816255 /nfs/dbraw/zinc/81/62/55/563816255.db2.gz DHGOSIBRBOHPTI-RYUDHWBXSA-N 1 0 379.507 2.737 20 0 GFADRO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)c1cnc2ccc(Br)cc2c1O ZINC000443954865 563816244 /nfs/dbraw/zinc/81/62/44/563816244.db2.gz ATSJSTXIDRJLTC-LLVKDONJSA-N 1 0 390.281 2.505 20 0 GFADRO CC[NH+](CC)CCOC1CCN(c2ncc(Br)c(OC)n2)CC1 ZINC000444076922 563820862 /nfs/dbraw/zinc/82/08/62/563820862.db2.gz ZIHYONXDNJBKMZ-UHFFFAOYSA-N 1 0 387.322 2.575 20 0 GFADRO CC(C)[NH+]1CCC(N2CCN(Cc3ccnc(Br)c3)CC2)CC1 ZINC000293693155 563821629 /nfs/dbraw/zinc/82/16/29/563821629.db2.gz CAHVPOGKEKKUTG-UHFFFAOYSA-N 1 0 381.362 2.835 20 0 GFADRO O=C(NC1(c2ccc(Br)cc2)CCOCC1)[C@H]1C[C@]12CC[NH2+]C2 ZINC000444152783 563822687 /nfs/dbraw/zinc/82/26/87/563822687.db2.gz OYLWLRTUAVZSJY-WBVHZDCISA-N 1 0 379.298 2.571 20 0 GFADRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)c3cc4cc(Br)ccc4[nH]3)[C@H]2C1 ZINC000293798887 563823881 /nfs/dbraw/zinc/82/38/81/563823881.db2.gz DDJACHLXNXGYFQ-DLBZAZTESA-N 1 0 392.297 2.866 20 0 GFADRO COc1cc(OC)c(S(=O)(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)cc1Cl ZINC000416408051 563823953 /nfs/dbraw/zinc/82/39/53/563823953.db2.gz NNRIOCAMLSDNMX-ZDUSSCGKSA-N 1 0 390.933 2.852 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2cc(Cl)c(OC)cc2OC)[C@H](C)C1 ZINC000416409938 563824517 /nfs/dbraw/zinc/82/45/17/563824517.db2.gz WHGIHSKVAKUXIB-OCCSQVGLSA-N 1 0 390.933 2.708 20 0 GFADRO O=C(NC1CCN(Cc2ccc(Br)cc2)CC1)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000444263280 563826388 /nfs/dbraw/zinc/82/63/88/563826388.db2.gz FAUSRXXGZMJZNX-IEBWSBKVSA-N 1 0 392.341 2.529 20 0 GFADRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)c3cc4c(c(Br)c3)OCO4)C2)C1 ZINC000293850154 563826459 /nfs/dbraw/zinc/82/64/59/563826459.db2.gz CZUOKHKXVHKHLW-QGZVFWFLSA-N 1 0 381.270 2.736 20 0 GFADRO COC(=O)c1c(Cl)cccc1S(=O)(=O)N(CC[NH+](C)C)C1CCCC1 ZINC000416427777 563827992 /nfs/dbraw/zinc/82/79/92/563827992.db2.gz RDYOGRIXYZZRGH-UHFFFAOYSA-N 1 0 388.917 2.622 20 0 GFADRO C[C@H]1[C@@H](NC(=O)c2nn(C)cc2Br)CC[N@@H+]1Cc1ccccc1 ZINC000293993872 563828885 /nfs/dbraw/zinc/82/88/85/563828885.db2.gz LWLRUZRLWQALSC-WFASDCNBSA-N 1 0 377.286 2.575 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2cccc(Cl)c2C(=O)OC)C[C@@H]1C ZINC000416451484 563829916 /nfs/dbraw/zinc/82/99/16/563829916.db2.gz AOYSMRMZVWLUQG-STQMWFEESA-N 1 0 388.917 2.620 20 0 GFADRO Cn1cc(Br)cc1C(=O)Nc1cccc(C[NH+]2CCC(O)CC2)c1 ZINC000444453451 563831907 /nfs/dbraw/zinc/83/19/07/563831907.db2.gz IEASOMNYEMCQDW-UHFFFAOYSA-N 1 0 392.297 2.997 20 0 GFADRO C[N@@H+]1CCC[C@]2(CCN(C(=O)CNC(=O)c3ccc(Cl)c(Cl)c3)C2)C1 ZINC000294157691 563832468 /nfs/dbraw/zinc/83/24/68/563832468.db2.gz NVQPXEQMQCNFOT-SFHVURJKSA-N 1 0 384.307 2.668 20 0 GFADRO O=C1NCCN(CCC[NH+]2CCCCC2)[C@@H]1c1cccc(Br)c1 ZINC000444614177 563833775 /nfs/dbraw/zinc/83/37/75/563833775.db2.gz ZQHALXFORBBRRP-QGZVFWFLSA-N 1 0 380.330 2.798 20 0 GFADRO COC(=O)CCCCCCNC(=O)[C@](C)([NH3+])c1ccc(Br)cc1 ZINC000294222666 563834597 /nfs/dbraw/zinc/83/45/97/563834597.db2.gz XEHFMHDOHWMKSM-QGZVFWFLSA-N 1 0 385.302 2.863 20 0 GFADRO CC[N@H+](CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl)[C@H]1CCCC[C@@H]1C ZINC000444664975 563834752 /nfs/dbraw/zinc/83/47/52/563834752.db2.gz NMTUBGOIELKDOR-LRDDRELGSA-N 1 0 387.933 2.827 20 0 GFADRO OCC[N@H+](CCOc1ccc(Cl)cc1Br)C1CCOCC1 ZINC000444771250 563836401 /nfs/dbraw/zinc/83/64/01/563836401.db2.gz NZZQPBIWOKCDBJ-UHFFFAOYSA-N 1 0 378.694 2.955 20 0 GFADRO C[C@H]([NH2+]CC(=O)NC(=O)NCc1ccco1)c1ccc(Br)s1 ZINC000444761228 563836919 /nfs/dbraw/zinc/83/69/19/563836919.db2.gz VTOJNQPOVIAFOL-VIFPVBQESA-N 1 0 386.271 2.780 20 0 GFADRO C[C@@H]1[C@H](NC(=O)Nc2cc(Br)cnc2-n2cccn2)CCC[N@@H+]1C ZINC000444926388 563839681 /nfs/dbraw/zinc/83/96/81/563839681.db2.gz RIXQRMNMJVPAHY-DGCLKSJQSA-N 1 0 393.289 2.634 20 0 GFADRO O=C1[C@@H]([NH2+][C@H]2CCC(=O)N[C@@H]2C2CC2)CCN1c1ccc(Cl)cc1Cl ZINC000367375256 563842260 /nfs/dbraw/zinc/84/22/60/563842260.db2.gz QSIYVUHAVRAVTG-GRDNDAEWSA-N 1 0 382.291 2.746 20 0 GFADRO O=S(=O)(NCC1CC[NH+](C2CC2)CC1)c1ccc(Br)cc1F ZINC000445072778 563842416 /nfs/dbraw/zinc/84/24/16/563842416.db2.gz RXGRAERKVWEMHF-UHFFFAOYSA-N 1 0 391.306 2.741 20 0 GFADRO C[C@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1[NH2+]CCCCCS(C)(=O)=O ZINC000367380924 563842816 /nfs/dbraw/zinc/84/28/16/563842816.db2.gz DXGXRYIJJLHILK-JKSUJKDBSA-N 1 0 376.563 2.827 20 0 GFADRO COc1ccc(CC[NH2+][C@H]2CCC[C@H](S(C)(=O)=O)C2)cc1OC(F)F ZINC000294456704 563843195 /nfs/dbraw/zinc/84/31/95/563843195.db2.gz YRAUOCKKOAFLLQ-KBPBESRZSA-N 1 0 377.453 2.785 20 0 GFADRO C[NH+](C)CC(C)(C)CNC(=O)[C@H]1CC(=O)Nc2ccc(Br)cc21 ZINC000445249063 563846453 /nfs/dbraw/zinc/84/64/53/563846453.db2.gz MKCPMIIAMZNIRO-ZDUSSCGKSA-N 1 0 382.302 2.579 20 0 GFADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)Nc3ccccc3I)C[C@@H]21 ZINC000367583115 563849380 /nfs/dbraw/zinc/84/93/80/563849380.db2.gz REGHEVZHHZAMAA-RISCZKNCSA-N 1 0 385.249 2.849 20 0 GFADRO Cc1c([C@@H](C)[NH2+]C[C@@H]2[C@H]3COC[C@H]32)nnn1-c1cccc(Br)c1 ZINC000367682255 563852308 /nfs/dbraw/zinc/85/23/08/563852308.db2.gz AQDGTNORMHOKGK-KCXZSRPNSA-N 1 0 377.286 2.881 20 0 GFADRO COc1ccc(C(=O)N2CCC[C@H]([NH+]3CCCCC3)C2)nc1Br ZINC000367862554 563857770 /nfs/dbraw/zinc/85/77/70/563857770.db2.gz VJLLCAVMDGWELR-ZDUSSCGKSA-N 1 0 382.302 2.943 20 0 GFADRO COc1cc(OC)c(S(=O)(=O)N(C)C(C)(C)C[NH+]2CCCC2)cc1Cl ZINC000416663602 563859342 /nfs/dbraw/zinc/85/93/42/563859342.db2.gz QRMPZBDKEUMTQC-UHFFFAOYSA-N 1 0 390.933 2.852 20 0 GFADRO O=C(N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)c1c[nH]c(=O)c(Br)c1 ZINC000367943245 563860040 /nfs/dbraw/zinc/86/00/40/563860040.db2.gz RWANRPQYBKIEQD-UKRRQHHQSA-N 1 0 394.244 2.564 20 0 GFADRO C[NH+](C)C1(CNC(=O)C(=O)Nc2cc(Cl)ccc2Br)CCC1 ZINC000446178528 563860125 /nfs/dbraw/zinc/86/01/25/563860125.db2.gz DVUDAGYMXLJZKM-UHFFFAOYSA-N 1 0 388.693 2.642 20 0 GFADRO O=C(c1nn(-c2ccc(F)cc2)cc1Br)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000368169693 563865457 /nfs/dbraw/zinc/86/54/57/563865457.db2.gz ZCWDQTQCQPEMAE-XHDPSFHLSA-N 1 0 393.260 2.598 20 0 GFADRO Cc1cc(C)c(NC(=O)N2C[C@H](C)[N@@H+](CCO)C[C@H]2C)cc1Br ZINC000417015304 563865729 /nfs/dbraw/zinc/86/57/29/563865729.db2.gz BKFBVERHNLXAIQ-UONOGXRCSA-N 1 0 384.318 2.985 20 0 GFADRO O=C(CCC[S@@](=O)c1ccc(Br)cc1)N[C@H]1CC12CC[NH2+]CC2 ZINC000368229683 563866920 /nfs/dbraw/zinc/86/69/20/563866920.db2.gz ULKKVNLKYYJCFO-NPMXOYFQSA-N 1 0 399.354 2.595 20 0 GFADRO CO[C@@H]1CCN(C(=O)N[C@H](C)Cc2ccc(Br)cc2)[C@H](C[NH3+])C1 ZINC000417097960 563868101 /nfs/dbraw/zinc/86/81/01/563868101.db2.gz FCPSFTBWQDGZKH-UHOFOFEASA-N 1 0 384.318 2.528 20 0 GFADRO C[C@H](NC(=O)N1CCC(C[NH3+])CC1)c1cc2c(cc1Br)OCCO2 ZINC000417168057 563869586 /nfs/dbraw/zinc/86/95/86/563869586.db2.gz AFQJTSQUSKWOIT-NSHDSACASA-N 1 0 398.301 2.662 20 0 GFADRO CC[C@@H]([NH3+])CNC(=O)NCC1(c2cccc(Br)c2)CCOCC1 ZINC000417183469 563871540 /nfs/dbraw/zinc/87/15/40/563871540.db2.gz RSHWOAHTFVKNEI-OAHLLOKOSA-N 1 0 384.318 2.534 20 0 GFADRO Cc1nccc(CN2CCC[C@H](NCc3cscc3Br)C2=O)n1 ZINC000368511282 563872994 /nfs/dbraw/zinc/87/29/94/563872994.db2.gz JJGCWVBSMZLZFQ-HNNXBMFYSA-N 1 0 395.326 2.890 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)NCCC(=O)Nc1ccc(Br)cc1 ZINC000417209776 563873201 /nfs/dbraw/zinc/87/32/01/563873201.db2.gz CXISQXCNBGZSIL-SWLSCSKDSA-N 1 0 397.317 2.689 20 0 GFADRO [NH2+]=C(NO)[C@H]1CCCCN1Cc1noc(Cc2ccc(Br)cc2)n1 ZINC000368527696 563873339 /nfs/dbraw/zinc/87/33/39/563873339.db2.gz ZZLZZSNEQALGNQ-CYBMUJFWSA-N 1 0 394.273 2.733 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)NCC2(c3ccc(Br)cc3)CCC2)CCCO1 ZINC000417218804 563873693 /nfs/dbraw/zinc/87/36/93/563873693.db2.gz UIKTZFCOUJHZAE-MRXNPFEDSA-N 1 0 396.329 2.630 20 0 GFADRO C[N@H+](Cc1ccc(F)cc1I)C1(CCO)CCOCC1 ZINC000418065567 563897442 /nfs/dbraw/zinc/89/74/42/563897442.db2.gz JUMGTRDFKYODBC-UHFFFAOYSA-N 1 0 393.240 2.794 20 0 GFADRO COc1cc(Br)ccc1C[NH2+][C@H]1CCCN(c2ccnn2C)C1 ZINC000447078853 563874141 /nfs/dbraw/zinc/87/41/41/563874141.db2.gz VOPZGUJUUSUDER-HNNXBMFYSA-N 1 0 379.302 2.950 20 0 GFADRO Cc1c(C(=O)N2CCSC[C@@H]2c2cccs2)nnn1C1CC[NH2+]CC1 ZINC000368560798 563874120 /nfs/dbraw/zinc/87/41/20/563874120.db2.gz FUSNTOWEHOKAMD-CQSZACIVSA-N 1 0 377.539 2.503 20 0 GFADRO Cc1c(I)cccc1C(=O)N1CC[C@H]2CC[N@@H+](C)[C@H]2C1 ZINC000368591161 563874759 /nfs/dbraw/zinc/87/47/59/563874759.db2.gz LULNWICLZNCEQJ-DOMZBBRYSA-N 1 0 384.261 2.766 20 0 GFADRO CCN(CC)C(=O)C[C@H](C)[NH2+][C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000447099865 563874926 /nfs/dbraw/zinc/87/49/26/563874926.db2.gz SNUVVVUDAQMOSF-XJKSGUPXSA-N 1 0 396.329 2.791 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)c3cnn(-c4cccc(Br)c4)c3)C[C@H]21 ZINC000368611778 563875270 /nfs/dbraw/zinc/87/52/70/563875270.db2.gz IQECRDDKWFKBTF-CSMYWGQOSA-N 1 0 389.297 2.834 20 0 GFADRO C[C@@H](CCC[NH3+])NC(=O)NC[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000417262349 563875640 /nfs/dbraw/zinc/87/56/40/563875640.db2.gz NEDHLTVMIBNZCL-UONOGXRCSA-N 1 0 383.334 2.702 20 0 GFADRO [NH3+]CC1CCN(C(=O)NC[C@@H]2CCN(c3cccc(Br)c3)C2)CC1 ZINC000417268067 563875884 /nfs/dbraw/zinc/87/58/84/563875884.db2.gz YTKDEQYRQZHYNQ-HNNXBMFYSA-N 1 0 395.345 2.656 20 0 GFADRO Cc1cc(S(=O)(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c(C)cc1Br ZINC000447252277 563877900 /nfs/dbraw/zinc/87/79/00/563877900.db2.gz QXHQRASNHQOYFT-GUTXKFCHSA-N 1 0 387.343 2.814 20 0 GFADRO C[C@H](CC[NH3+])NS(=O)(=O)c1csc(-c2ccc(Br)cc2)n1 ZINC000447251239 563877933 /nfs/dbraw/zinc/87/79/33/563877933.db2.gz OKIDBPFWGRTNHQ-SECBINFHSA-N 1 0 390.328 2.588 20 0 GFADRO CO[C@H]1CCN(C(=O)NCc2c(C)cc(Br)cc2C)[C@@H](C[NH3+])C1 ZINC000417354843 563878898 /nfs/dbraw/zinc/87/88/98/563878898.db2.gz CUNVGSQANRWCDJ-CABCVRRESA-N 1 0 384.318 2.714 20 0 GFADRO COc1ccc(Br)cc1CNC(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000417384462 563879183 /nfs/dbraw/zinc/87/91/83/563879183.db2.gz QGGPJMDNFKVJEA-UHFFFAOYSA-N 1 0 382.302 2.743 20 0 GFADRO CC1(C)CN(C(=O)NCc2cc(Br)ccc2OC(F)F)CC[NH2+]1 ZINC000417403499 563879302 /nfs/dbraw/zinc/87/93/02/563879302.db2.gz GQTAMJCZQHGHHV-UHFFFAOYSA-N 1 0 392.244 2.944 20 0 GFADRO CCCC[C@H](C[NH3+])NC(=O)NCc1cc(Br)c(OC)c(OC)c1 ZINC000417382268 563879350 /nfs/dbraw/zinc/87/93/50/563879350.db2.gz XLZHRBDTSIWRNR-GFCCVEGCSA-N 1 0 388.306 2.783 20 0 GFADRO COC[C@H](C)OC[C@@H](O)C[N@@H+]1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000447309807 563879677 /nfs/dbraw/zinc/87/96/77/563879677.db2.gz RHRJMMLLEHGANG-KCQAQPDRSA-N 1 0 378.296 2.859 20 0 GFADRO [NH3+][C@@H]1CCC[C@H](NC(=O)N[C@@H]2CCN(c3ccc(Br)cc3)C2)C1 ZINC000417475422 563880599 /nfs/dbraw/zinc/88/05/99/563880599.db2.gz AXURQHUEYHNULG-QLFBSQMISA-N 1 0 381.318 2.597 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)N[C@H]1CC[NH2+][C@@H](C)C1 ZINC000417489480 563881066 /nfs/dbraw/zinc/88/10/66/563881066.db2.gz QHJUJENKFCVKFS-JSGCOSHPSA-N 1 0 397.317 2.526 20 0 GFADRO O=C1C[C@@H]([C@@H]2CCCC[N@H+]2CCOc2cc(F)cc(Br)c2)CN1 ZINC000368883256 563881149 /nfs/dbraw/zinc/88/11/49/563881149.db2.gz YDEWAWZPFWQZGV-WBMJQRKESA-N 1 0 385.277 2.958 20 0 GFADRO CC1(C)CCC[N@H+](CCNC(=O)C(=O)Nc2ccc(Br)cc2)C1 ZINC000447428802 563881604 /nfs/dbraw/zinc/88/16/04/563881604.db2.gz PYSWFKRQBFZDBR-UHFFFAOYSA-N 1 0 382.302 2.626 20 0 GFADRO Cc1cc(C(=O)N2CC[NH+]3CCC2CC3)nn1-c1ccc(Br)cc1 ZINC000368963575 563882950 /nfs/dbraw/zinc/88/29/50/563882950.db2.gz KKTPLGVBIONCTR-UHFFFAOYSA-N 1 0 389.297 2.863 20 0 GFADRO CC[C@H](Cc1ccccc1Br)C(=O)N1CCC[N@@H+]([C@@H](C)CO)CC1 ZINC000368971471 563883095 /nfs/dbraw/zinc/88/30/95/563883095.db2.gz BRXYOPMFGGHJPK-JKSUJKDBSA-N 1 0 397.357 2.933 20 0 GFADRO NC(=O)CN1CCCN(C(=O)/C=C/c2sc3ccccc3c2Cl)CC1 ZINC000368994590 563883509 /nfs/dbraw/zinc/88/35/09/563883509.db2.gz ASSADXLGVRPTOE-VOTSOKGWSA-N 1 0 377.897 2.588 20 0 GFADRO CN1CC[NH+](C[C@@H]2CCCN(C(=O)c3ccc(Br)cc3)C2)CC1 ZINC000368979771 563883713 /nfs/dbraw/zinc/88/37/13/563883713.db2.gz UQNUTUGZJUBTMM-HNNXBMFYSA-N 1 0 380.330 2.549 20 0 GFADRO CN(CC(C)(C)C[NH3+])C(=O)N[C@@H]1CCN(c2ccccc2Br)C1 ZINC000417603568 563886216 /nfs/dbraw/zinc/88/62/16/563886216.db2.gz RXIONHGJGHJIHM-CYBMUJFWSA-N 1 0 383.334 2.654 20 0 GFADRO CCCC[C@H](C[NH3+])NC(=O)N[C@@H]1CCN(c2ccccc2Br)C1 ZINC000417604985 563886279 /nfs/dbraw/zinc/88/62/79/563886279.db2.gz WNEBTZVCMOCRGP-ZIAGYGMSSA-N 1 0 383.334 2.845 20 0 GFADRO O=C(NCC1(c2cccc(Br)c2)CC1)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000417653331 563886827 /nfs/dbraw/zinc/88/68/27/563886827.db2.gz AWBYXCPCOUUWKM-KBPBESRZSA-N 1 0 378.314 2.732 20 0 GFADRO O=C(NCCCc1ccc(Br)cc1F)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000417682732 563887277 /nfs/dbraw/zinc/88/72/77/563887277.db2.gz TWOHHVKLVNKVGW-KGLIPLIRSA-N 1 0 384.293 2.772 20 0 GFADRO C[C@]1(C[NH3+])CCN(C(=O)NCCOc2ncc(C(F)(F)F)cc2Cl)C1 ZINC000417731594 563887939 /nfs/dbraw/zinc/88/79/39/563887939.db2.gz GCUOGEOEWKJZRP-CQSZACIVSA-N 1 0 380.798 2.513 20 0 GFADRO O=C(NCC1(c2ccccc2Br)CC1)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000417740128 563888061 /nfs/dbraw/zinc/88/80/61/563888061.db2.gz ZCIZAIXFRBVKJM-KGLIPLIRSA-N 1 0 378.314 2.732 20 0 GFADRO O=C(NCC1(c2ccccc2Br)CC1)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000417735061 563888074 /nfs/dbraw/zinc/88/80/74/563888074.db2.gz SPZYGLDRJBCSMX-ZIAGYGMSSA-N 1 0 378.314 2.732 20 0 GFADRO CS[C@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)c(F)c2)C[C@H]1[NH+](C)C ZINC000447867283 563888263 /nfs/dbraw/zinc/88/82/63/563888263.db2.gz CNTVUAKYRWRPSZ-OLZOCXBDSA-N 1 0 386.436 2.511 20 0 GFADRO C[C@H](CNC(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1)Oc1ccccc1Br ZINC000417818499 563889880 /nfs/dbraw/zinc/88/98/80/563889880.db2.gz FNKKBKTZINWHHD-RDBSUJKOSA-N 1 0 384.318 2.904 20 0 GFADRO C[C@@H](NC(=O)N[C@@H](C[NH3+])C1CC1)c1nc(-c2ccc(Br)cc2)no1 ZINC000417883010 563890253 /nfs/dbraw/zinc/89/02/53/563890253.db2.gz DXMICBDOHCHLPW-RNCFNFMXSA-N 1 0 394.273 2.597 20 0 GFADRO C[C@@H](Cc1ccccc1Br)NC(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000417902983 563891533 /nfs/dbraw/zinc/89/15/33/563891533.db2.gz YDXQPGJECFFHNT-GWCFXTLKSA-N 1 0 376.245 2.677 20 0 GFADRO CC(C)(C)NC(=O)CC[NH2+]Cc1ccc(F)cc1I ZINC000417915871 563891618 /nfs/dbraw/zinc/89/16/18/563891618.db2.gz MIBVEHUKSMTQOG-UHFFFAOYSA-N 1 0 378.229 2.825 20 0 GFADRO C[C@H](NC(=O)N1CC[C@@H](C[NH3+])C1)c1nc(-c2ccc(Br)cc2)no1 ZINC000417903067 563891708 /nfs/dbraw/zinc/89/17/08/563891708.db2.gz YUEPBCJMXKHUQM-QWRGUYRKSA-N 1 0 394.273 2.550 20 0 GFADRO C[C@H](CC[NH+](C)C)NC(=O)[C@@H]1CCCN(c2ccc(Br)cn2)C1 ZINC000369310051 563891934 /nfs/dbraw/zinc/89/19/34/563891934.db2.gz KVFRBQAURZGFEX-ZIAGYGMSSA-N 1 0 383.334 2.517 20 0 GFADRO CO[C@@H](c1ccc(Br)cc1)[C@H](C)NC(=O)NC1(C)CC[NH2+]CC1 ZINC000417971393 563892940 /nfs/dbraw/zinc/89/29/40/563892940.db2.gz AYXBJKGOAMVQME-SWLSCSKDSA-N 1 0 384.318 2.966 20 0 GFADRO CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)NC1(C)CC[NH2+]CC1 ZINC000417971394 563893054 /nfs/dbraw/zinc/89/30/54/563893054.db2.gz AYXBJKGOAMVQME-WFASDCNBSA-N 1 0 384.318 2.966 20 0 GFADRO CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000417985494 563893387 /nfs/dbraw/zinc/89/33/87/563893387.db2.gz NGEFLCGXIRRGSM-KNPMLCFXSA-N 1 0 384.318 2.904 20 0 GFADRO CCn1cc(Br)cc1C(=O)N[C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@@H]1C ZINC000369358586 563893472 /nfs/dbraw/zinc/89/34/72/563893472.db2.gz MMECBLJEGGXRDW-CWRNSKLLSA-N 1 0 398.345 2.890 20 0 GFADRO COc1cc(Br)ccc1CCCNC(=O)N1CC[C@H]([C@H](C)[NH3+])C1 ZINC000417993681 563894295 /nfs/dbraw/zinc/89/42/95/563894295.db2.gz AVGVETLHICBBEZ-JSGCOSHPSA-N 1 0 384.318 2.769 20 0 GFADRO CCCOC[C@H](Cc1cccc(Br)c1)NC(=O)NC[C@H]([NH3+])C1CC1 ZINC000418035051 563896438 /nfs/dbraw/zinc/89/64/38/563896438.db2.gz UMPANGQRZVPVHI-IRXDYDNUSA-N 1 0 398.345 2.823 20 0 GFADRO [NH3+]C[C@@H](NC(=O)N[C@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O)C1CC1 ZINC000418079523 563897834 /nfs/dbraw/zinc/89/78/34/563897834.db2.gz KXLJDDQHKQUFFA-UONOGXRCSA-N 1 0 385.295 2.525 20 0 GFADRO C[NH+](C)CC(C)(C)CNC(=O)c1ccccc1-n1cc(Br)cn1 ZINC000448601038 563898567 /nfs/dbraw/zinc/89/85/67/563898567.db2.gz OLPSUBBSQDQYSM-UHFFFAOYSA-N 1 0 379.302 2.952 20 0 GFADRO CC(C)C[C@H](C[NH3+])NC(=O)N[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000418094427 563898682 /nfs/dbraw/zinc/89/86/82/563898682.db2.gz IDMXHOJZVDSYRY-LSDHHAIUSA-N 1 0 383.334 2.700 20 0 GFADRO CN(C)C1(C[NH2+]Cc2cc(Br)cc(Br)c2N)CC1 ZINC000418111008 563898901 /nfs/dbraw/zinc/89/89/01/563898901.db2.gz DEBQMMDTCVANEV-UHFFFAOYSA-N 1 0 377.124 2.978 20 0 GFADRO O=C(NCCC[C@@H]1CCC[NH2+]1)N[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000418106383 563899152 /nfs/dbraw/zinc/89/91/52/563899152.db2.gz XEGAHEPALAHOGG-JKSUJKDBSA-N 1 0 395.345 2.859 20 0 GFADRO Cc1cc(CNC(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)ccc1I ZINC000418143497 563899855 /nfs/dbraw/zinc/89/98/55/563899855.db2.gz PTOBVISUTMDUHW-OKILXGFUSA-N 1 0 399.276 2.636 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccccc1-n1cc(Br)cn1 ZINC000448725160 563900527 /nfs/dbraw/zinc/90/05/27/563900527.db2.gz NODNBVKEAYEDMB-CABCVRRESA-N 1 0 389.297 2.991 20 0 GFADRO O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccccc1-n1cc(Br)cn1 ZINC000448725161 563900557 /nfs/dbraw/zinc/90/05/57/563900557.db2.gz NODNBVKEAYEDMB-GJZGRUSLSA-N 1 0 389.297 2.991 20 0 GFADRO CC[NH+]1CCN([C@H](C)CNC(=O)c2cc(Br)c(C)cc2C)CC1 ZINC000448973998 563904419 /nfs/dbraw/zinc/90/44/19/563904419.db2.gz HWJVSDOFFDBQHU-OAHLLOKOSA-N 1 0 382.346 2.822 20 0 GFADRO O=C([C@H]1CCC[N@@H+](Cc2cccc(F)c2Br)C1)N1CCOCC1 ZINC000449011328 563905316 /nfs/dbraw/zinc/90/53/16/563905316.db2.gz ZCXJXSJLJLLXAM-AWEZNQCLSA-N 1 0 385.277 2.659 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[N@@H+]1CC[C@]2(CCOC2)C1 ZINC000449038055 563906239 /nfs/dbraw/zinc/90/62/39/563906239.db2.gz RDSRROXZDJNZPR-UGSOOPFHSA-N 1 0 397.313 2.575 20 0 GFADRO CS(=O)(=O)N1CCC([NH2+]Cc2ccnc3c(Br)cccc23)CC1 ZINC000449078469 563906578 /nfs/dbraw/zinc/90/65/78/563906578.db2.gz XUVZMVSIXGVPMG-UHFFFAOYSA-N 1 0 398.326 2.511 20 0 GFADRO COc1nccnc1C[NH2+]C[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000449101010 563906983 /nfs/dbraw/zinc/90/69/83/563906983.db2.gz YJMKAVZGSZJOTO-CYBMUJFWSA-N 1 0 377.286 2.864 20 0 GFADRO CN(C)C(=O)CC[NH+]1CCC(NCc2cccc(F)c2Br)CC1 ZINC000449125874 563906992 /nfs/dbraw/zinc/90/69/92/563906992.db2.gz RXWVWPXMFWXQAR-UHFFFAOYSA-N 1 0 386.309 2.621 20 0 GFADRO CCN(CC)S(=O)(=O)CC[NH2+][C@@H]1CCc2c1ccc(F)c2Br ZINC000449145001 563907407 /nfs/dbraw/zinc/90/74/07/563907407.db2.gz KEKFTDSSSFZGLO-CQSZACIVSA-N 1 0 393.322 2.837 20 0 GFADRO CCn1nnc(C)c1C[NH2+]CCC(=O)Nc1ccc(Br)cc1C ZINC000449237314 563908151 /nfs/dbraw/zinc/90/81/51/563908151.db2.gz BEJQKWNFJAAASR-UHFFFAOYSA-N 1 0 380.290 2.796 20 0 GFADRO C[C@H](C[NH2+][C@H](C[S@](C)=O)c1ccccc1)c1ccc(S(C)(=O)=O)cc1 ZINC000449230119 563908246 /nfs/dbraw/zinc/90/82/46/563908246.db2.gz HSPICQJFXODQMI-JLCUDIMXSA-N 1 0 379.547 2.903 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[N@H+](C)CC[C@@H]1CCCO1 ZINC000449268373 564177864 /nfs/dbraw/zinc/17/78/64/564177864.db2.gz GIGDGRQNMYMADC-BBRMVZONSA-N 1 0 399.329 2.963 20 0 GFADRO C[C@@H]([NH2+]CC1(CO)COC1)c1ccc(Br)cc1Br ZINC000537954241 564178632 /nfs/dbraw/zinc/17/86/32/564178632.db2.gz YYVHGDIXSHRPQZ-SECBINFHSA-N 1 0 379.092 2.871 20 0 GFADRO CCS(=O)(=O)N1CC(C[NH2+][C@@H](C)COc2ccc(Cl)c(Cl)c2)C1 ZINC000449269680 564178984 /nfs/dbraw/zinc/17/89/84/564178984.db2.gz NRDSQIQQASOYSJ-NSHDSACASA-N 1 0 381.325 2.632 20 0 GFADRO OCCOC1(C[NH2+]Cc2ccnc3c(Br)cccc23)CCOCC1 ZINC000449304783 564179274 /nfs/dbraw/zinc/17/92/74/564179274.db2.gz CAVTTYKKTYXXGY-UHFFFAOYSA-N 1 0 395.297 2.645 20 0 GFADRO CO[C@]1(C)CCC[N@H+](C[C@@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000470906343 564179734 /nfs/dbraw/zinc/17/97/34/564179734.db2.gz MPSAOGWDUQPHJR-GDBMZVCRSA-N 1 0 376.266 2.829 20 0 GFADRO C[C@H]1C[C@H]([NH2+]CCn2cc(Br)ccc2=O)CN1Cc1ccccc1 ZINC000449373731 564181784 /nfs/dbraw/zinc/18/17/84/564181784.db2.gz CLJPFQOSSZSWIA-YJBOKZPZSA-N 1 0 390.325 2.863 20 0 GFADRO COc1ccc(C[NH2+]Cc2ccc(I)cc2)c(OC)n1 ZINC000449339672 564182516 /nfs/dbraw/zinc/18/25/16/564182516.db2.gz UPRHUNIJKLXSIH-UHFFFAOYSA-N 1 0 384.217 2.993 20 0 GFADRO OCCCN1CCC[C@@H]1C[NH2+]Cc1ccc(OC(F)F)c(Br)c1 ZINC000449388602 564183044 /nfs/dbraw/zinc/18/30/44/564183044.db2.gz PLZNWXFYOWQADT-CYBMUJFWSA-N 1 0 393.272 2.987 20 0 GFADRO Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)[NH2+][C@H]1CCN(S(C)(=O)=O)C1 ZINC000563262996 564183120 /nfs/dbraw/zinc/18/31/20/564183120.db2.gz CFHPFIAJCMVYAG-NHYWBVRUSA-N 1 0 383.514 2.942 20 0 GFADRO Cc1ccc([C@@H](C)[NH2+]CC(=O)Nc2cc(S(N)(=O)=O)ccc2Cl)cc1 ZINC000538129006 564183231 /nfs/dbraw/zinc/18/32/31/564183231.db2.gz QRTLQBVYRGAGBP-GFCCVEGCSA-N 1 0 381.885 2.585 20 0 GFADRO OCCCN1CCC[C@@H]([NH2+]Cc2ccc(OC(F)F)c(Br)c2)C1 ZINC000449395131 564184701 /nfs/dbraw/zinc/18/47/01/564184701.db2.gz HVXWQBZFABUWCU-CYBMUJFWSA-N 1 0 393.272 2.987 20 0 GFADRO C[NH+](C)CCN(C(=O)c1cnn(-c2cccc(Br)c2)c1)C1CC1 ZINC000505655476 564187265 /nfs/dbraw/zinc/18/72/65/564187265.db2.gz FYVUPUVSQDUVGZ-UHFFFAOYSA-N 1 0 377.286 2.801 20 0 GFADRO CC(C)(CNC(=O)[C@H]1Cc2cc(Br)ccc2O1)C[NH+]1CCCC1 ZINC000471159589 564188242 /nfs/dbraw/zinc/18/82/42/564188242.db2.gz AFBPPCDSXYWKEI-MRXNPFEDSA-N 1 0 381.314 2.991 20 0 GFADRO O[C@H](C[NH2+][C@@H]1CCCc2c3cc(Br)ccc3[nH]c21)Cn1ccnn1 ZINC000563360873 564188348 /nfs/dbraw/zinc/18/83/48/564188348.db2.gz YIYAYXCOSGSEMP-MLGOLLRUSA-N 1 0 390.285 2.550 20 0 GFADRO C[N@H+]1CC=C(CNC(=O)c2[nH]nc(-c3ccccc3)c2Br)CC1 ZINC000538343716 564188827 /nfs/dbraw/zinc/18/88/27/564188827.db2.gz ZGZIPIBGBSHGEH-UHFFFAOYSA-N 1 0 375.270 2.831 20 0 GFADRO Cc1[nH]nc2ncc(C[NH2+]CCNC(=O)c3cccc(Br)c3)cc12 ZINC000538401594 564189991 /nfs/dbraw/zinc/18/99/91/564189991.db2.gz MYQXPAXINAFRJH-UHFFFAOYSA-N 1 0 388.269 2.548 20 0 GFADRO COc1ccc(C[NH2+]C[C@H](CO)Cc2cc(Br)ccc2F)cn1 ZINC000449599785 564191035 /nfs/dbraw/zinc/19/10/35/564191035.db2.gz LWDWYEJLUCAENC-CYBMUJFWSA-N 1 0 383.261 2.933 20 0 GFADRO COc1ccc(C[C@@H](CO)C[NH2+]Cc2cncc(F)c2)cc1Br ZINC000449598402 564191098 /nfs/dbraw/zinc/19/10/98/564191098.db2.gz IGIOCWPREXJXET-CQSZACIVSA-N 1 0 383.261 2.933 20 0 GFADRO C[C@@H]1CSc2ccc(Br)cc2[C@H]1[NH2+]CC(=O)N1CCOCC1 ZINC000538463356 564191718 /nfs/dbraw/zinc/19/17/18/564191718.db2.gz QBJZKVLPYXNQAI-BZNIZROVSA-N 1 0 385.327 2.680 20 0 GFADRO CN(C(=O)Nc1ccc(CCn2cc(Br)cn2)cc1)[C@H]1CC[NH2+]C1 ZINC000563470494 564192135 /nfs/dbraw/zinc/19/21/35/564192135.db2.gz VSHUBWOVQMCKNZ-INIZCTEOSA-N 1 0 392.301 2.714 20 0 GFADRO C[C@@H]1CN(C(=O)c2ccc(I)cc2Cl)[C@H](C)C[NH2+]1 ZINC000505896920 564192489 /nfs/dbraw/zinc/19/24/89/564192489.db2.gz XGCVANMZBFLLEH-RKDXNWHRSA-N 1 0 378.641 2.767 20 0 GFADRO CN(C)C(=O)[C@@H]1CC[C@H](C[NH2+][C@@H]2CCc3cccc(Br)c3C2)O1 ZINC000563501758 564193588 /nfs/dbraw/zinc/19/35/88/564193588.db2.gz DSQJWMMXVFBTHF-CPUCHLNUSA-N 1 0 381.314 2.532 20 0 GFADRO [NH3+][C@@H]1CCO[C@H](C2CCN(Cc3cc4c(c(Br)c3)OCO4)CC2)C1 ZINC000563519413 564194462 /nfs/dbraw/zinc/19/44/62/564194462.db2.gz OJEFXCMWRFGJQU-ZBFHGGJFSA-N 1 0 397.313 2.896 20 0 GFADRO C[C@H](CCNC(=O)Cn1cc(Br)cn1)[N@H+](C)Cc1ccccc1 ZINC000471439016 564194692 /nfs/dbraw/zinc/19/46/92/564194692.db2.gz CRDZQCKEDFSZPU-CQSZACIVSA-N 1 0 379.302 2.672 20 0 GFADRO COc1ccc(Br)cc1C[C@H](CO)C[NH2+]Cc1cncc(F)c1 ZINC000449678191 564195208 /nfs/dbraw/zinc/19/52/08/564195208.db2.gz DVPAYOYRZOORGI-ZDUSSCGKSA-N 1 0 383.261 2.933 20 0 GFADRO CCN1C[C@H](C)[C@H]([NH2+]C[C@@H](CO)Cc2cc(Br)ccc2OC)C1 ZINC000449679272 564195503 /nfs/dbraw/zinc/19/55/03/564195503.db2.gz HTHXSUBIBWVFGN-GRDNDAEWSA-N 1 0 385.346 2.539 20 0 GFADRO CC1(C)C[NH2+]CC[C@@H]1NC(=O)[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000449700220 564197150 /nfs/dbraw/zinc/19/71/50/564197150.db2.gz SKWXMOSNTAFFPX-WFASDCNBSA-N 1 0 384.307 2.851 20 0 GFADRO Cc1cc(C(=O)N[C@@H]2CC[C@H](C[NH3+])C2)nn1-c1ccc(Br)cc1 ZINC000449717119 564197956 /nfs/dbraw/zinc/19/79/56/564197956.db2.gz DHQHSNZABZKQPD-GXTWGEPZSA-N 1 0 377.286 2.800 20 0 GFADRO C[C@@H](CCc1ccc(I)cc1)NC(=O)N(C)CCC[NH3+] ZINC000563593395 564198043 /nfs/dbraw/zinc/19/80/43/564198043.db2.gz ONJKZQZSIBBNCJ-LBPRGKRZSA-N 1 0 389.281 2.603 20 0 GFADRO C[C@H]1CCCC[N@@H+]1CCNC(=O)NCCCCn1cc(Br)cn1 ZINC000471606319 564199354 /nfs/dbraw/zinc/19/93/54/564199354.db2.gz RGIVABOWBXPFDZ-AWEZNQCLSA-N 1 0 386.338 2.599 20 0 GFADRO [NH3+]CC[C@@H](NC(=O)CCSc1ccc2c(c1)OCCCO2)C(F)(F)F ZINC000449729528 564199450 /nfs/dbraw/zinc/19/94/50/564199450.db2.gz NDFUGBLALHXPOV-CQSZACIVSA-N 1 0 378.416 2.726 20 0 GFADRO C[NH+](C)CCOCCNC(=O)NCC1(c2cccc(Br)c2)CCC1 ZINC000471634767 564200404 /nfs/dbraw/zinc/20/04/04/564200404.db2.gz LTKKXXGMQHGVRL-UHFFFAOYSA-N 1 0 398.345 2.748 20 0 GFADRO C[NH+](C)CCOCCNC(=O)N1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000471641376 564201360 /nfs/dbraw/zinc/20/13/60/564201360.db2.gz FSJPOQUWCAASHM-AWEZNQCLSA-N 1 0 390.311 2.734 20 0 GFADRO Cn1ncc(Br)c1C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000449795107 564201834 /nfs/dbraw/zinc/20/18/34/564201834.db2.gz NUHCSNCKFPSOQH-UHFFFAOYSA-N 1 0 395.276 2.716 20 0 GFADRO Fc1ccc(CNc2cc(N3CCOCC3)c(Br)c[nH+]2)cc1F ZINC000449770565 564202202 /nfs/dbraw/zinc/20/22/02/564202202.db2.gz WZDJZFUJRQYARX-UHFFFAOYSA-N 1 0 384.224 3.571 20 0 GFADRO C[N@H+](C[C@H](O)CNc1ccc(CCn2cc(Br)cn2)cc1)C1CC1 ZINC000563707763 564203065 /nfs/dbraw/zinc/20/30/65/564203065.db2.gz NCFZOSQCHHJUIL-GOSISDBHSA-N 1 0 393.329 2.755 20 0 GFADRO Cc1sc(C(=O)N(C)CC[N@H+](C)C2CCCCC2)cc1CS(C)(=O)=O ZINC000471768266 564204351 /nfs/dbraw/zinc/20/43/51/564204351.db2.gz JEPPBFLJCVZLPE-UHFFFAOYSA-N 1 0 386.583 2.938 20 0 GFADRO Cc1ccc(CC(=O)NC[C@@H](O)C[NH+]2CCC(C)CC2)c(Br)c1 ZINC000449847516 564205545 /nfs/dbraw/zinc/20/55/45/564205545.db2.gz BASGQBATRFEGBW-MRXNPFEDSA-N 1 0 383.330 2.509 20 0 GFADRO [NH3+]C[C@@H](NC(=O)c1cc(=O)c2cc(Br)ccc2[nH]1)C1CCCC1 ZINC000563804823 564207554 /nfs/dbraw/zinc/20/75/54/564207554.db2.gz ISNANBHDQNJQAQ-OAHLLOKOSA-N 1 0 378.270 2.538 20 0 GFADRO O=C(CNC(=O)c1ccc(Cl)c(Cl)c1)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000563812209 564207903 /nfs/dbraw/zinc/20/79/03/564207903.db2.gz YJLDTTFNGOGRTJ-KGLIPLIRSA-N 1 0 384.307 2.571 20 0 GFADRO CC[NH+]1CCC(CNC(=O)Cc2ccc(I)cc2)CC1 ZINC000563814089 564208038 /nfs/dbraw/zinc/20/80/38/564208038.db2.gz CELXODRNKCPUEL-UHFFFAOYSA-N 1 0 386.277 2.682 20 0 GFADRO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@@H]1CC(=O)N([C@H]2C[C@H]2C)C1 ZINC000539086969 564208347 /nfs/dbraw/zinc/20/83/47/564208347.db2.gz GHLZHNRNZVOOGV-BHTHQVBYSA-N 1 0 394.313 2.765 20 0 GFADRO CC[C@H](O)CC(=O)NC1CC[NH+](CCOc2ccc(Br)cc2)CC1 ZINC000449937837 564209431 /nfs/dbraw/zinc/20/94/31/564209431.db2.gz DEFIATSIYAFQIM-INIZCTEOSA-N 1 0 399.329 2.570 20 0 GFADRO C[C@@H](NC(=O)NCCCCn1cc(Br)cn1)C(C)(C)C[NH+](C)C ZINC000472046661 564210777 /nfs/dbraw/zinc/21/07/77/564210777.db2.gz FXKUKUCMMFYCLC-CYBMUJFWSA-N 1 0 388.354 2.701 20 0 GFADRO CNS(=O)(=O)c1cccc([C@H](C)[NH2+]C[C@@H]2CSc3ccccc3O2)c1 ZINC000563886347 564211779 /nfs/dbraw/zinc/21/17/79/564211779.db2.gz JFMVXOQBNRUUDN-DZGCQCFKSA-N 1 0 378.519 2.799 20 0 GFADRO C[C@H](CC[NH+](C)C)NC(=O)C(=O)Nc1ccc(Br)c2ccccc12 ZINC000539178125 564212201 /nfs/dbraw/zinc/21/22/01/564212201.db2.gz NVAQDAFCLPUICV-GFCCVEGCSA-N 1 0 392.297 2.997 20 0 GFADRO C[N@H+](C[C@H](O)CN1CCOc2cc(Br)c(Cl)cc21)C1CC1 ZINC000563918951 564212877 /nfs/dbraw/zinc/21/28/77/564212877.db2.gz JOKIEWKYFDKBBM-NSHDSACASA-N 1 0 375.694 2.756 20 0 GFADRO NC(=O)[C@@H]1CCCN1CCC[NH2+][C@H](c1ccc(Br)cc1)C1CC1 ZINC000539201454 564213054 /nfs/dbraw/zinc/21/30/54/564213054.db2.gz BHCCVYTVHUSMKG-IRXDYDNUSA-N 1 0 380.330 2.830 20 0 GFADRO O=C(Nc1cnn(-c2ncc(Cl)cc2Cl)c1)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000563943814 564213749 /nfs/dbraw/zinc/21/37/49/564213749.db2.gz JFNJVQSETMCVFQ-MNOVXSKESA-N 1 0 381.267 2.647 20 0 GFADRO OCC[C@@H]([NH2+]C[C@H](O)COc1cccc(Br)c1)c1ccccc1 ZINC000539229703 564213792 /nfs/dbraw/zinc/21/37/92/564213792.db2.gz LZFZVEFXLGHYNO-FUHWJXTLSA-N 1 0 380.282 2.902 20 0 GFADRO C[C@@H]1CN(C[C@@H](O)C[NH2+]C(C)(C)c2ccccc2Br)C[C@H](C)O1 ZINC000539325463 564216737 /nfs/dbraw/zinc/21/67/37/564216737.db2.gz WITYTFVIOUGKFI-ZNMIVQPWSA-N 1 0 385.346 2.744 20 0 GFADRO CS[C@H]1CN(C(=O)c2csc(Cc3cccc(F)c3)n2)C[C@@H]1[NH+](C)C ZINC000507084749 564218138 /nfs/dbraw/zinc/21/81/38/564218138.db2.gz KSHPYTHMNGSQBT-HOTGVXAUSA-N 1 0 379.526 2.991 20 0 GFADRO CS[C@@H]1CN(CC(=O)NCCc2cccc(Cl)c2Cl)C[C@H]1[NH+](C)C ZINC000539493601 564221216 /nfs/dbraw/zinc/22/12/16/564221216.db2.gz OYIIUSXLHIAEHP-HUUCEWRRSA-N 1 0 390.380 2.630 20 0 GFADRO C[C@@H]([NH2+]C[C@H]1CCCCN1S(=O)(=O)N(C)C)c1ccc(Cl)c(F)c1 ZINC000564153500 564223029 /nfs/dbraw/zinc/22/30/29/564223029.db2.gz UZKPAHNGFYAMRK-TZMCWYRMSA-N 1 0 377.913 2.791 20 0 GFADRO Cc1ccc(Br)c(S(=O)(=O)NCC[NH2+][C@H](C)c2cccnc2)c1 ZINC000507248257 564223586 /nfs/dbraw/zinc/22/35/86/564223586.db2.gz UENHQJUYLDXDLV-CYBMUJFWSA-N 1 0 398.326 2.782 20 0 GFADRO Cc1cc(Br)ccc1S(=O)(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000472568663 564227322 /nfs/dbraw/zinc/22/73/22/564227322.db2.gz GPQMYUGDBSXLAQ-KBPBESRZSA-N 1 0 375.332 2.909 20 0 GFADRO CCN1CCN(C(=O)C(=O)Nc2ccc(Br)cc2Cl)[C@H](C)C1 ZINC000507399557 564227645 /nfs/dbraw/zinc/22/76/45/564227645.db2.gz IMZPQLLAOLQRCP-SNVBAGLBSA-N 1 0 388.693 2.594 20 0 GFADRO C[C@@H]1CCCN1S(=O)(=O)N(CC[NH+]1CCCC1)Cc1ccc(Cl)cc1 ZINC000472588433 564228010 /nfs/dbraw/zinc/22/80/10/564228010.db2.gz JMJKZVKHTOMUNK-MRXNPFEDSA-N 1 0 385.961 2.967 20 0 GFADRO Cc1ccn2cc(CNC(=O)c3cc(Br)c(=O)[nH]c3C)nc2c1 ZINC000507431789 564228958 /nfs/dbraw/zinc/22/89/58/564228958.db2.gz GNRGRYPCPFFERT-UHFFFAOYSA-N 1 0 375.226 2.744 20 0 GFADRO COc1ccc(Br)c(C(=O)NCCC[NH2+][C@H](C)[C@H]2CCCOC2)c1 ZINC000507481130 564229796 /nfs/dbraw/zinc/22/97/96/564229796.db2.gz CICZIRBXVCQISD-KGLIPLIRSA-N 1 0 399.329 2.982 20 0 GFADRO CC(C)[NH+](CCN(C)C(=O)c1cc(I)c[nH]1)C(C)C ZINC000507526833 564230735 /nfs/dbraw/zinc/23/07/35/564230735.db2.gz HVUKJQYAXVWPLP-UHFFFAOYSA-N 1 0 377.270 2.810 20 0 GFADRO CC(C)[N@H+](C)C[C@@H](C)NC(=O)C(=O)Nc1cccc(Br)c1Cl ZINC000564500466 564235737 /nfs/dbraw/zinc/23/57/37/564235737.db2.gz SSSBQHSYOGBXGP-SNVBAGLBSA-N 1 0 390.709 2.886 20 0 GFADRO NS(=O)(=O)C[C@H]1CCC[N@@H+]1CCCCOc1cccc(C(F)(F)F)c1 ZINC000564560977 564239935 /nfs/dbraw/zinc/23/99/35/564239935.db2.gz HWCMFKHUTPTBFT-CQSZACIVSA-N 1 0 380.432 2.617 20 0 GFADRO O=C(CC(F)(F)F)N1CCC([NH2+]C2CCC(O)(C(F)(F)F)CC2)CC1 ZINC000540174366 564241211 /nfs/dbraw/zinc/24/12/11/564241211.db2.gz JVHOKEUUUQPXGC-UHFFFAOYSA-N 1 0 376.341 2.755 20 0 GFADRO CS(=O)(=O)N1CCC[C@@H]([NH2+][C@@H]2CCc3ccc(OC(F)(F)F)cc32)C1 ZINC000540193430 564241508 /nfs/dbraw/zinc/24/15/08/564241508.db2.gz HTMYZWBZBODTMZ-IUODEOHRSA-N 1 0 378.416 2.586 20 0 GFADRO C[C@H]([NH2+]C[C@@H]1CCNC(=O)CC1)c1cc2c(cc1Br)OCCO2 ZINC000450675069 564243992 /nfs/dbraw/zinc/24/39/92/564243992.db2.gz NRCBPHDAJZDPTN-RYUDHWBXSA-N 1 0 383.286 2.787 20 0 GFADRO O=C([C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)N1CC[NH+]2CCC1CC2 ZINC000507859265 564244894 /nfs/dbraw/zinc/24/48/94/564244894.db2.gz LJMNQMKJPMYUDY-CQSZACIVSA-N 1 0 382.291 2.653 20 0 GFADRO O=C(c1ccc(Cl)s1)N1CCC(C(=O)N2CC[NH+]3CCC2CC3)CC1 ZINC000507860171 564245032 /nfs/dbraw/zinc/24/50/32/564245032.db2.gz AUDULQMQVPCGKA-UHFFFAOYSA-N 1 0 381.929 2.560 20 0 GFADRO CN1CCN(C(=O)C[NH2+][C@H](c2ccc(Br)cc2)C2CCC2)CC1 ZINC000540376107 564247113 /nfs/dbraw/zinc/24/71/13/564247113.db2.gz BKKJYDWFNJDYRA-SFHVURJKSA-N 1 0 380.330 2.654 20 0 GFADRO C[C@H]([NH2+]CCNS(=O)(=O)c1cccc(Cl)c1Cl)[C@@H]1CCCOC1 ZINC000564746436 564247450 /nfs/dbraw/zinc/24/74/50/564247450.db2.gz IBGLKXCQDPBSRT-NWDGAFQWSA-N 1 0 381.325 2.676 20 0 GFADRO C[NH+](C)CCOCCNC(=O)N(Cc1cccc(Br)c1)CC1CC1 ZINC000473547362 564249121 /nfs/dbraw/zinc/24/91/21/564249121.db2.gz XHJOBMJGVAUAMW-UHFFFAOYSA-N 1 0 398.345 2.949 20 0 GFADRO O=C(Nc1nc(C2CC[NH2+]CC2)cs1)c1c[nH]c(=O)c(Br)c1 ZINC000564829083 564250844 /nfs/dbraw/zinc/25/08/44/564250844.db2.gz RJABEYZXICUWDW-UHFFFAOYSA-N 1 0 383.271 2.726 20 0 GFADRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)CSc1nncn1-c1cccc(Cl)c1 ZINC000564816998 564250918 /nfs/dbraw/zinc/25/09/18/564250918.db2.gz PEUQKLPDDKTAET-OAHLLOKOSA-N 1 0 379.917 2.565 20 0 GFADRO C[N@H+](C[C@H](O)CNCc1cc(Br)ccc1OC(F)F)C1CC1 ZINC000564848242 564252346 /nfs/dbraw/zinc/25/23/46/564252346.db2.gz KXLYGTGPPNEZHK-CYBMUJFWSA-N 1 0 379.245 2.595 20 0 GFADRO COCC[N@@H+]1CC[C@H](NC(=O)c2coc3c2cc(Br)cc3C)C1 ZINC000473731324 564253496 /nfs/dbraw/zinc/25/34/96/564253496.db2.gz KGUHVGKNLHNOLP-ZDUSSCGKSA-N 1 0 381.270 2.954 20 0 GFADRO C[C@H]1CN([C@H]2CCCc3ccc(Br)cc32)CCN1S(C)(=O)=O ZINC000540671370 564254336 /nfs/dbraw/zinc/25/43/36/564254336.db2.gz NNZXLJNANDZBRF-LRDDRELGSA-N 1 0 387.343 2.792 20 0 GFADRO Cc1cc(S(=O)(=O)N2CCC(CC[NH+]3CCOCC3)CC2)sc1Cl ZINC000473914921 564256067 /nfs/dbraw/zinc/25/60/67/564256067.db2.gz YHGIPWLLJURWCH-UHFFFAOYSA-N 1 0 392.974 2.833 20 0 GFADRO C[C@@H](O)C[N@H+](C)C1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(Br)cc2)CC1 ZINC000450965040 564256711 /nfs/dbraw/zinc/25/67/11/564256711.db2.gz UKNYYTZFZALJNC-JEBQAFNWSA-N 1 0 395.341 2.856 20 0 GFADRO CS[C@H]1CN(S(=O)(=O)c2cc(C)c(Cl)s2)C[C@@H]1[NH+]1CCCC1 ZINC000473947554 564259759 /nfs/dbraw/zinc/25/97/59/564259759.db2.gz GAENOHPLYNIHQU-RYUDHWBXSA-N 1 0 380.988 2.910 20 0 GFADRO O=S(=O)(c1cc(Cl)ccc1OC(F)F)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000564961117 564259995 /nfs/dbraw/zinc/25/99/95/564259995.db2.gz RHLUNBSKGYEQJO-PHIMTYICSA-N 1 0 380.844 2.562 20 0 GFADRO COCCOc1c(Cl)cc(S(=O)(=O)N[C@@H](C[NH3+])CC(C)C)cc1Cl ZINC000564958999 564260097 /nfs/dbraw/zinc/26/00/97/564260097.db2.gz NAWZXAYNCJBSLC-LLVKDONJSA-N 1 0 399.340 2.670 20 0 GFADRO CCOC(=O)COc1c(Br)cc(C)cc1C[NH2+]CC1(O)CCC1 ZINC000540996671 564262379 /nfs/dbraw/zinc/26/23/79/564262379.db2.gz UAHKEKYUUMNHPQ-UHFFFAOYSA-N 1 0 386.286 2.704 20 0 GFADRO CCC[C@@H]([NH2+]C(C)C)C(=O)NC[C@H](CO)Cc1ccc(Br)cc1 ZINC000508548777 564266056 /nfs/dbraw/zinc/26/60/56/564266056.db2.gz PJDQNKXDCZRKNZ-NVXWUHKLSA-N 1 0 385.346 2.883 20 0 GFADRO CC[NH+](CC)[C@@H](C)CNS(=O)(=O)Cc1ccc(Br)c(F)c1 ZINC000451048991 564268123 /nfs/dbraw/zinc/26/81/23/564268123.db2.gz XXKQNVQITOZTGI-NSHDSACASA-N 1 0 381.311 2.738 20 0 GFADRO Cc1csc([C@H]2COCCN2C(=O)C2CC[NH+]([C@H]3CCSC3)CC2)n1 ZINC000565194437 564271027 /nfs/dbraw/zinc/27/10/27/564271027.db2.gz HQYVXXQZXSFIGC-JKSUJKDBSA-N 1 0 381.567 2.569 20 0 GFADRO C[N@H+](CCCCc1ccc(Cl)c(Cl)c1)C[C@H](O)CN1CCOCC1 ZINC000474270209 564272297 /nfs/dbraw/zinc/27/22/97/564272297.db2.gz MBBMEYIVRGLPIR-INIZCTEOSA-N 1 0 375.340 2.941 20 0 GFADRO C[C@@H](CNC(=O)c1conc1C(C)(C)[NH3+])Oc1ccc(Br)cc1 ZINC000565315626 564275778 /nfs/dbraw/zinc/27/57/78/564275778.db2.gz XEGLYLPLZMAIDZ-JTQLQIEISA-N 1 0 382.258 2.828 20 0 GFADRO [NH3+]C[C@@H]1CCCC[C@@H]1N[C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000565357391 564276603 /nfs/dbraw/zinc/27/66/03/564276603.db2.gz OHYTXSGUUWEUGT-CQDKDKBSSA-N 1 0 387.343 2.775 20 0 GFADRO CN(Cc1ccccc1Br)C(=O)C[NH2+][C@]1(C)CCO[C@H]1C1CC1 ZINC000541379348 564276871 /nfs/dbraw/zinc/27/68/71/564276871.db2.gz IMFWIFQTFIHMHZ-ZWKOTPCHSA-N 1 0 381.314 2.955 20 0 GFADRO COC(=O)c1ccc(S(=O)(=O)NCC[C@@H](C)[NH+]2CCCCC2)c(Cl)c1 ZINC000541386707 564276967 /nfs/dbraw/zinc/27/69/67/564276967.db2.gz GMTHGWQHBVVWNN-CYBMUJFWSA-N 1 0 388.917 2.669 20 0 GFADRO C[C@H](CNC(=O)NCC[N@H+]1CC=CCC1)Oc1cccc(Br)c1 ZINC000474437246 564279158 /nfs/dbraw/zinc/27/91/58/564279158.db2.gz HHCITDIBLCDKPL-CQSZACIVSA-N 1 0 382.302 2.778 20 0 GFADRO C[C@H](Cn1cccn1)[NH2+]Cc1c(F)ccc(I)c1F ZINC000474461590 564279471 /nfs/dbraw/zinc/27/94/71/564279471.db2.gz PLHYWXHMLQDEKX-SECBINFHSA-N 1 0 377.176 2.944 20 0 GFADRO C[C@@H]1C[N@H+](CCCNC(=O)c2cn3cc(Cl)cc(Cl)c3n2)CCCO1 ZINC000509043965 564279572 /nfs/dbraw/zinc/27/95/72/564279572.db2.gz ACWQIHZIWJBGAT-GFCCVEGCSA-N 1 0 385.295 2.872 20 0 GFADRO COCCOCCC[NH2+]Cc1c(F)ccc(I)c1F ZINC000474474587 564279680 /nfs/dbraw/zinc/27/96/80/564279680.db2.gz WYKLXFUYJNHUJC-UHFFFAOYSA-N 1 0 385.192 2.712 20 0 GFADRO C[NH+](C)[C@@]1(CNC(=O)N[C@@H](CO)c2c(Cl)cccc2Cl)CCSC1 ZINC000474492855 564280339 /nfs/dbraw/zinc/28/03/39/564280339.db2.gz HEIKQTWEBZGAPY-XJKSGUPXSA-N 1 0 392.352 2.763 20 0 GFADRO C[C@@H](C[NH+]1CCOCC1)C(=O)NCCc1c[nH]c2ccc(Br)cc12 ZINC000541491071 564280539 /nfs/dbraw/zinc/28/05/39/564280539.db2.gz PDEQXDDQTBWLCN-ZDUSSCGKSA-N 1 0 394.313 2.557 20 0 GFADRO Cc1ccc(Br)c(S(=O)(=O)N[C@@H]2CCC[N@@H+](C(C)C)C2)c1 ZINC000474576207 564281443 /nfs/dbraw/zinc/28/14/43/564281443.db2.gz KSCVCRZGBWVVGN-CYBMUJFWSA-N 1 0 375.332 2.909 20 0 GFADRO CC(C)[N@@H+]1CCC[C@H](NS(=O)(=O)c2ccc(F)cc2Br)C1 ZINC000474579638 564281697 /nfs/dbraw/zinc/28/16/97/564281697.db2.gz RTHBCTQSIROUCE-LBPRGKRZSA-N 1 0 379.295 2.739 20 0 GFADRO C[NH+](C)[C@H](CNCc1c(F)ccc(I)c1F)C1CC1 ZINC000474611862 564283138 /nfs/dbraw/zinc/28/31/38/564283138.db2.gz KMIQXTFHHDMTDG-CYBMUJFWSA-N 1 0 380.220 2.999 20 0 GFADRO C[C@H](CCc1ccc(I)cc1)[NH2+][C@H](C)Cn1cncn1 ZINC000474622412 564283263 /nfs/dbraw/zinc/28/32/63/564283263.db2.gz LUFJEYNOTSRIFT-CHWSQXEVSA-N 1 0 384.265 2.882 20 0 GFADRO Cc1ncsc1CCS(=O)(=O)NC[C@@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000451178693 564283294 /nfs/dbraw/zinc/28/32/94/564283294.db2.gz ANWYPJCOSBELFM-KRWDZBQOSA-N 1 0 385.599 2.958 20 0 GFADRO Cn1cc(NC(=O)[C@@H]2C[N@@H+](C(C)(C)C)C[C@H]2C(F)(F)F)cc(Cl)c1=O ZINC000565496745 564283445 /nfs/dbraw/zinc/28/34/45/564283445.db2.gz VPRHGTCTKVDWOD-GHMZBOCLSA-N 1 0 379.810 2.886 20 0 GFADRO COCC[N@@H+]1CC[C@@H](Nc2ccnn2Cc2ccccc2Br)C1 ZINC000541555398 564283422 /nfs/dbraw/zinc/28/34/22/564283422.db2.gz BOMJSJWZINKNET-OAHLLOKOSA-N 1 0 379.302 2.827 20 0 GFADRO O[C@H](CNCc1ccc(OC(F)(F)F)c(Br)c1)C[NH+]1CCCC1 ZINC000474633492 564283990 /nfs/dbraw/zinc/28/39/90/564283990.db2.gz UJZZHDAMMNLIFV-GFCCVEGCSA-N 1 0 397.235 2.894 20 0 GFADRO CNS(=O)(=O)CCC[NH+]1CCC(c2ccc(OC(F)(F)F)cc2)CC1 ZINC000565553583 564286672 /nfs/dbraw/zinc/28/66/72/564286672.db2.gz KRXRWUHGWHPYOT-UHFFFAOYSA-N 1 0 380.432 2.704 20 0 GFADRO C[C@@H]([NH2+]CCS(=O)(=O)N1CCSCC1)[C@@H](C)c1ccc(Cl)cc1 ZINC000474717574 564286769 /nfs/dbraw/zinc/28/67/69/564286769.db2.gz YBMSHAWNXJINAF-ZIAGYGMSSA-N 1 0 376.975 2.800 20 0 GFADRO CC[NH+](CC)CCOCCNC(=O)C1(c2cccc(Br)c2)CC1 ZINC000541751767 564286815 /nfs/dbraw/zinc/28/68/15/564286815.db2.gz BQLVAJBYBLNWIX-UHFFFAOYSA-N 1 0 383.330 2.955 20 0 GFADRO CC(C)[C@H](Oc1ccccc1Br)C(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000565597465 564288256 /nfs/dbraw/zinc/28/82/56/564288256.db2.gz QISOVNMRCFFYMN-KGLIPLIRSA-N 1 0 391.256 2.966 20 0 GFADRO Brc1ccc(-n2cc(C[NH2+]CCN3C[C@H]4CC[C@@H](C3)O4)cn2)cc1 ZINC000451219226 564288312 /nfs/dbraw/zinc/28/83/12/564288312.db2.gz CZOIYQFXDJNRRD-HDICACEKSA-N 1 0 391.313 2.588 20 0 GFADRO CCS(=O)(=O)N1CCC(C[NH2+]Cc2ccc(Br)c(C)c2)CC1 ZINC000541779987 564288861 /nfs/dbraw/zinc/28/88/61/564288861.db2.gz UJYDHYCUQFNECA-UHFFFAOYSA-N 1 0 389.359 2.909 20 0 GFADRO Fc1ccc(I)c(F)c1C[NH2+][C@H]1CCc2n[nH]cc2C1 ZINC000474798272 564289067 /nfs/dbraw/zinc/28/90/67/564289067.db2.gz CMXPTAWMHIAGIM-VIFPVBQESA-N 1 0 389.187 2.940 20 0 GFADRO Cc1ncc2n1CC[C@H](C(=O)N(CCO)Cc1cccc(Br)c1)C2 ZINC000565689093 564291243 /nfs/dbraw/zinc/29/12/43/564291243.db2.gz VCHBHNZZZAZQSF-HNNXBMFYSA-N 1 0 392.297 2.538 20 0 GFADRO CC(C)([NH3+])c1nocc1C(=O)N[C@H]1CCN(c2ccccc2Br)C1 ZINC000565664508 564291372 /nfs/dbraw/zinc/29/13/72/564291372.db2.gz BQDMFUWNWPBEQA-NSHDSACASA-N 1 0 393.285 2.640 20 0 GFADRO Fc1ccc(I)c(F)c1C[NH2+]CCc1cnccn1 ZINC000474878232 564292109 /nfs/dbraw/zinc/29/21/09/564292109.db2.gz JLDPBPYTCXZBBS-UHFFFAOYSA-N 1 0 375.160 2.692 20 0 GFADRO C[C@H](CCc1ccc(I)cc1)[NH2+][C@@H](CO)c1cnn(C)c1 ZINC000474894569 564293111 /nfs/dbraw/zinc/29/31/11/564293111.db2.gz SNMNKXOLWGDOQH-WBMJQRKESA-N 1 0 399.276 2.669 20 0 GFADRO Fc1ccc(I)c(F)c1C[NH2+][C@@H]1CCn2ccnc2C1 ZINC000474928888 564293663 /nfs/dbraw/zinc/29/36/63/564293663.db2.gz UPPGJDPNAHNLLH-SECBINFHSA-N 1 0 389.187 2.871 20 0 GFADRO C[C@@H](CCc1ccc(I)cc1)[NH2+]CC(=O)NCC1CC1 ZINC000474931056 564293910 /nfs/dbraw/zinc/29/39/10/564293910.db2.gz MSPZRTNNOLYUAG-LBPRGKRZSA-N 1 0 386.277 2.728 20 0 GFADRO CC(C)OCC[NH+]1CCC(NS(=O)(=O)Cc2c(F)cccc2Cl)CC1 ZINC000451275079 564294198 /nfs/dbraw/zinc/29/41/98/564294198.db2.gz HMHJAPIMVHRPBL-UHFFFAOYSA-N 1 0 392.924 2.788 20 0 GFADRO Cc1nn(C(C)C)cc1C[NH2+]CCNS(=O)(=O)c1ccc(F)cc1Cl ZINC000509400606 564296361 /nfs/dbraw/zinc/29/63/61/564296361.db2.gz FWMBAPOMJWUYDI-UHFFFAOYSA-N 1 0 388.896 2.633 20 0 GFADRO C[C@H]1C[C@H](NC(=O)c2cc(I)ccc2F)CC[N@@H+]1C ZINC000474978859 564296426 /nfs/dbraw/zinc/29/64/26/564296426.db2.gz NKRQPYCJJLKXKS-GXSJLCMTSA-N 1 0 376.213 2.643 20 0 GFADRO O=C(N[C@H]1C[NH2+]CCC1(F)F)N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 ZINC000565822604 564297964 /nfs/dbraw/zinc/29/79/64/564297964.db2.gz CCQIVGCIMCWPHC-KGLIPLIRSA-N 1 0 377.794 2.559 20 0 GFADRO OC[C@H](C[NH2+]C[C@@H](O)COc1ccc(Br)cc1)c1ccc(F)cc1 ZINC000565892319 564300965 /nfs/dbraw/zinc/30/09/65/564300965.db2.gz MLHXYVWDOXDCTR-WMLDXEAASA-N 1 0 398.272 2.694 20 0 GFADRO COc1cccc(C[C@@H](C)[NH2+]C[C@H](O)COc2ccccc2Br)n1 ZINC000542161593 564303425 /nfs/dbraw/zinc/30/34/25/564303425.db2.gz VVPPIGCGTAGHJD-HIFRSBDPSA-N 1 0 395.297 2.813 20 0 GFADRO O=C(C[NH2+][C@@H](CO)C1CCOCC1)Nc1ccc(Cl)cc1C(F)(F)F ZINC000565974777 564304264 /nfs/dbraw/zinc/30/42/64/564304264.db2.gz XKPUXCNOQRULIF-AWEZNQCLSA-N 1 0 380.794 2.674 20 0 GFADRO CS(=O)(=O)C1(C[NH2+]Cc2cc(Cl)ccc2OC[C@@H]2CCCO2)CCC1 ZINC000475425381 564307739 /nfs/dbraw/zinc/30/77/39/564307739.db2.gz RVZQQDGLMWKBRY-INIZCTEOSA-N 1 0 387.929 2.955 20 0 GFADRO COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]CC1(S(C)(=O)=O)CCC1 ZINC000475427627 564307779 /nfs/dbraw/zinc/30/77/79/564307779.db2.gz HIUMQKHDWYBLLY-GFCCVEGCSA-N 1 0 388.917 2.623 20 0 GFADRO COc1cccc(C[C@H](C)[NH2+][C@@H](C(N)=O)c2cccc(Br)c2)n1 ZINC000475438217 564308453 /nfs/dbraw/zinc/30/84/53/564308453.db2.gz FSALZGZOLFGONE-MEDUHNTESA-N 1 0 378.270 2.600 20 0 GFADRO CC(C)n1ccc(C[C@@H](C)[NH2+][C@H](C(N)=O)c2cccc(Br)c2)n1 ZINC000475434250 564308474 /nfs/dbraw/zinc/30/84/74/564308474.db2.gz MMSKGHZLOUKXOH-WBMJQRKESA-N 1 0 379.302 2.974 20 0 GFADRO COc1cccc(C[C@H](C)[NH2+][C@H](C(N)=O)c2cccc(Br)c2)n1 ZINC000475438218 564308808 /nfs/dbraw/zinc/30/88/08/564308808.db2.gz FSALZGZOLFGONE-ZBEGNZNMSA-N 1 0 378.270 2.600 20 0 GFADRO O=C(CCOC1C[NH2+]C1)NCC1(c2ccc(Br)cc2)CCCC1 ZINC000566098621 564309706 /nfs/dbraw/zinc/30/97/06/564309706.db2.gz GTPMZJQXSDQAMW-UHFFFAOYSA-N 1 0 381.314 2.756 20 0 GFADRO COCCOC[C@@H](O)C[NH2+]CC1(c2ccc(Br)cc2)CCCC1 ZINC000566117800 564310778 /nfs/dbraw/zinc/31/07/78/564310778.db2.gz QEIIMXPTVMHUOR-KRWDZBQOSA-N 1 0 386.330 2.874 20 0 GFADRO O[C@@H](C[NH2+]CCn1cc(Br)cn1)COc1cccc2ccccc21 ZINC000566129265 564312025 /nfs/dbraw/zinc/31/20/25/564312025.db2.gz BNSDQJBQYFKGQT-INIZCTEOSA-N 1 0 390.281 2.828 20 0 GFADRO C[NH+](C)[C@H]1CCCN(S(=O)(=O)Cc2ccc(Br)c(F)c2)CC1 ZINC000451457523 564314937 /nfs/dbraw/zinc/31/49/37/564314937.db2.gz DOBARIPMRSBARC-ZDUSSCGKSA-N 1 0 393.322 2.834 20 0 GFADRO CCN(CCC[NH+](C)C)S(=O)(=O)Cc1ccc(Br)c(F)c1 ZINC000451453291 564314972 /nfs/dbraw/zinc/31/49/72/564314972.db2.gz NQPSBJGTOZWLOY-UHFFFAOYSA-N 1 0 381.311 2.692 20 0 GFADRO CNC(=O)C[N@H+](CCOc1cccc(Br)c1)C[C@H]1CCCS1 ZINC000475678636 564315488 /nfs/dbraw/zinc/31/54/88/564315488.db2.gz PTVBAINQULTYGS-OAHLLOKOSA-N 1 0 387.343 2.772 20 0 GFADRO C[NH2+][C@H](C(=O)N(C)C[C@H](C)Oc1ccc(Cl)c(Cl)c1)c1cnn(C)c1 ZINC000566196658 564315955 /nfs/dbraw/zinc/31/59/55/564315955.db2.gz UNMILCGUMWVEEO-ZBEGNZNMSA-N 1 0 385.295 2.913 20 0 GFADRO C[C@@H]([NH3+])[C@@H](C)NC(=O)c1cccn1-c1ccc(I)cc1 ZINC000566214083 564316958 /nfs/dbraw/zinc/31/69/58/564316958.db2.gz FVAYHCAWQLRDGB-GHMZBOCLSA-N 1 0 383.233 2.547 20 0 GFADRO COc1cc(Cl)c(S(=O)(=O)N2CCC3(CC[NH2+]CC3)CC2)cc1OC ZINC000566216558 564317319 /nfs/dbraw/zinc/31/73/19/564317319.db2.gz RAERGUPRKNKOAM-UHFFFAOYSA-N 1 0 388.917 2.512 20 0 GFADRO CN1CCO[C@H](CSCC(=O)Nc2nc(-c3ccc(F)cc3)cs2)C1 ZINC000566215243 564317464 /nfs/dbraw/zinc/31/74/64/564317464.db2.gz ZVDHRTXKFWMRQM-AWEZNQCLSA-N 1 0 381.498 2.952 20 0 GFADRO COCC[N@@H+]1CC[C@H](NC(=O)c2cc(Br)ccc2OC(F)F)C1 ZINC000566268379 564321379 /nfs/dbraw/zinc/32/13/79/564321379.db2.gz VFONXJAALGQLHU-NSHDSACASA-N 1 0 393.228 2.501 20 0 GFADRO CC[NH+](CC)CCOCCNC(=O)NCc1ccc(Br)s1 ZINC000542711985 564323126 /nfs/dbraw/zinc/32/31/26/564323126.db2.gz NFOWTGGNWZASMU-UHFFFAOYSA-N 1 0 378.336 2.668 20 0 GFADRO CN(C)S(=O)(=O)CCC[NH+]1CCC(F)(Cc2ccc(Cl)cc2)CC1 ZINC000451533360 564323326 /nfs/dbraw/zinc/32/33/26/564323326.db2.gz WFCCSPZOMCPJEU-UHFFFAOYSA-N 1 0 376.925 2.968 20 0 GFADRO CCS(=O)(=O)NCCC[N@@H+]1CC[C@H](c2cccc(Br)c2)C1 ZINC000451561324 564325392 /nfs/dbraw/zinc/32/53/92/564325392.db2.gz BNCOWWRMEJQOGY-AWEZNQCLSA-N 1 0 375.332 2.568 20 0 GFADRO C[C@H](C(=O)NC[C@H]1CCCO1)N1CC[C@H](c2cccc(Br)c2)C1 ZINC000451570307 564326296 /nfs/dbraw/zinc/32/62/96/564326296.db2.gz POSLIBKUPPJCJI-UKPHBRMFSA-N 1 0 381.314 2.922 20 0 GFADRO COc1c[nH+]ccc1N1CCN(C(=O)Cc2sccc2Br)CC1 ZINC000451574855 564327563 /nfs/dbraw/zinc/32/75/63/564327563.db2.gz NLTHGXMWMVJLLJ-UHFFFAOYSA-N 1 0 396.310 2.806 20 0 GFADRO C[C@@H](c1nc(N)nc(N(C)C)n1)N1CC[C@H](c2cccc(Br)c2)C1 ZINC000451573186 564327883 /nfs/dbraw/zinc/32/78/83/564327883.db2.gz TWGBMFBANTYXEQ-AAEUAGOBSA-N 1 0 391.317 2.833 20 0 GFADRO Nc1ccc(F)c(NC(=O)CC[NH2+][C@H](CO)c2ccc(Br)cc2)c1 ZINC000542913636 564331501 /nfs/dbraw/zinc/33/15/01/564331501.db2.gz PDDLMQIIGUCJJJ-MRXNPFEDSA-N 1 0 396.260 2.822 20 0 GFADRO Cc1cc(COCC(=O)Nc2ccc(CN(C)C)c(Br)c2)on1 ZINC000510440373 564333143 /nfs/dbraw/zinc/33/31/43/564333143.db2.gz DILDYUHHYVQZCB-UHFFFAOYSA-N 1 0 382.258 2.962 20 0 GFADRO Cc1c2cccc(Br)c2oc1C(=O)NCC1(O)CC[NH+](C)CC1 ZINC000542950353 564333157 /nfs/dbraw/zinc/33/31/57/564333157.db2.gz HJHLUCCYRNUIDV-UHFFFAOYSA-N 1 0 381.270 2.690 20 0 GFADRO COc1cc(Br)ccc1CCC(=O)NCC[NH+]1CCSCC1 ZINC000543012289 564335566 /nfs/dbraw/zinc/33/55/66/564335566.db2.gz XHNCAOCNTJVGPT-UHFFFAOYSA-N 1 0 387.343 2.555 20 0 GFADRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1S(=O)(=O)c1cccc(Br)c1F ZINC000510486420 564335677 /nfs/dbraw/zinc/33/56/77/564335677.db2.gz ZKNDAKLFHOGRLP-NEPJUHHUSA-N 1 0 391.306 2.836 20 0 GFADRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1S(=O)(=O)c1cccc(OC(F)(F)F)c1 ZINC000510537258 564337492 /nfs/dbraw/zinc/33/74/92/564337492.db2.gz HNAJTCLMWFPHOH-STQMWFEESA-N 1 0 378.416 2.833 20 0 GFADRO Cn1cc(N2CC[C@@H]([NH2+][C@@H]3CCCc4c(Br)cccc43)C2=O)cn1 ZINC000543114224 564338253 /nfs/dbraw/zinc/33/82/53/564338253.db2.gz MCLSGUWCZCNRIZ-IAGOWNOFSA-N 1 0 389.297 2.955 20 0 GFADRO CS(=O)(=O)N[C@H]1CCCC[C@H]1[NH2+]CCOc1ccccc1C(F)(F)F ZINC000510761929 564346987 /nfs/dbraw/zinc/34/69/87/564346987.db2.gz JCDMSCBSWRRPHO-KGLIPLIRSA-N 1 0 380.432 2.534 20 0 GFADRO CC(C)C(=O)N1CCC([NH2+]C[C@@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000566874330 564347443 /nfs/dbraw/zinc/34/74/43/564347443.db2.gz MIVIMBPTZPIESG-OAHLLOKOSA-N 1 0 389.323 2.970 20 0 GFADRO O[C@H](C[NH2+][C@H]1CCO[C@]2(CCOC2)C1)COc1cc(Cl)ccc1Cl ZINC000566909954 564348864 /nfs/dbraw/zinc/34/88/64/564348864.db2.gz UQDLMCUWKWBNJH-JJRVBVJISA-N 1 0 376.280 2.661 20 0 GFADRO C[N@@H+]1CCC[C@H]2CN(S(=O)(=O)c3cccc(Br)c3F)CC[C@@H]21 ZINC000543396902 564349074 /nfs/dbraw/zinc/34/90/74/564349074.db2.gz OVWBSKGUMKMNEU-AAEUAGOBSA-N 1 0 391.306 2.693 20 0 GFADRO CCC(C)(C)[NH2+][C@@H](C)C(=O)NCC(=O)Nc1ccc(Br)cc1C ZINC000543417203 564350247 /nfs/dbraw/zinc/35/02/47/564350247.db2.gz PAAHZKMBTGZZLB-LBPRGKRZSA-N 1 0 384.318 2.979 20 0 GFADRO COCC[NH2+]C1CCN(C(=O)N[C@@H](C)c2ccc(Br)s2)CC1 ZINC000566978304 564352811 /nfs/dbraw/zinc/35/28/11/564352811.db2.gz FSVXVWWWBOQEOL-NSHDSACASA-N 1 0 390.347 2.982 20 0 GFADRO O=S(=O)(c1ccccc1OC(F)(F)F)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000567166965 564360152 /nfs/dbraw/zinc/36/01/52/564360152.db2.gz ZTMHIOBMQKIRKE-QWHCGFSZSA-N 1 0 378.416 2.595 20 0 GFADRO CN(CCC(=O)NCCOc1cccc(Br)c1)c1cc[nH+]cc1 ZINC000543713181 564361132 /nfs/dbraw/zinc/36/11/32/564361132.db2.gz PYAKIZDJEOTSGS-UHFFFAOYSA-N 1 0 378.270 2.866 20 0 GFADRO O=C(CN1CCC(CO)([NH2+]CC2CC2)CC1)Nc1ccc(Cl)cc1Cl ZINC000567171170 564361272 /nfs/dbraw/zinc/36/12/72/564361272.db2.gz YHVHAXLHYJAWOA-UHFFFAOYSA-N 1 0 386.323 2.758 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(S(=O)(=O)c3cc(Cl)ccc3OCCC3CC3)C[C@@H]21 ZINC000451878167 564361454 /nfs/dbraw/zinc/36/14/54/564361454.db2.gz LRHLTNKDBUZWBT-ZBFHGGJFSA-N 1 0 384.929 2.844 20 0 GFADRO CC(C)(CC[NH2+]C[C@@H](O)COc1c(Cl)cccc1Cl)S(C)(=O)=O ZINC000567228096 564362257 /nfs/dbraw/zinc/36/22/57/564362257.db2.gz FUIMPIQQCRRZHS-LLVKDONJSA-N 1 0 384.325 2.536 20 0 GFADRO CCN1CC[C@H](NC(=O)C[C@H]2CSCC[NH2+]2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000567232081 564362772 /nfs/dbraw/zinc/36/27/72/564362772.db2.gz ANBHWNJBNIYZGV-QANKJYHBSA-N 1 0 385.936 2.826 20 0 GFADRO COCCNC(=O)[C@H]1CC[C@H](C)[N@H+](Cc2ccc(Br)cc2OC)C1 ZINC000543780505 564363152 /nfs/dbraw/zinc/36/31/52/564363152.db2.gz BHJXRWOTSQEKLT-ZFWWWQNUSA-N 1 0 399.329 2.821 20 0 GFADRO CS[C@@H]1CN(S(=O)(=O)c2cc(F)ccc2Cl)C[C@H]1[NH+]1CCCC1 ZINC000477134435 564366464 /nfs/dbraw/zinc/36/64/64/564366464.db2.gz GRCRUXBMLIEHAZ-ZIAGYGMSSA-N 1 0 378.922 2.679 20 0 GFADRO C[C@@H](c1cccc(Br)c1)N1CC[NH+]([C@@H]2CCNC(=O)CC2)CC1 ZINC000451914137 564366535 /nfs/dbraw/zinc/36/65/35/564366535.db2.gz DGNYFJLWLPBALM-YOEHRIQHSA-N 1 0 380.330 2.796 20 0 GFADRO CN(C(=O)Nc1cc(I)ccc1Cl)[C@H]1CC[NH2+]C1 ZINC000567333584 564366808 /nfs/dbraw/zinc/36/68/08/564366808.db2.gz HOUKLDBSOPRSEC-VIFPVBQESA-N 1 0 379.629 2.770 20 0 GFADRO CCN1CCN(S(=O)(=O)c2cc(Cl)c(Br)cc2F)[C@H](C)C1 ZINC000511335889 564368230 /nfs/dbraw/zinc/36/82/30/564368230.db2.gz VWQXWXZMIAQIGJ-SECBINFHSA-N 1 0 399.713 2.956 20 0 GFADRO [NH3+]Cc1cn([C@@H]2CCCN(C(=O)CCSc3ccccc3Cl)C2)nn1 ZINC000567375561 564368838 /nfs/dbraw/zinc/36/88/38/564368838.db2.gz QIPHZWUWOTXLDA-CQSZACIVSA-N 1 0 379.917 2.736 20 0 GFADRO COc1ccc(Br)c2[nH]c(C(=O)N3CC[C@@H](C[NH+](C)C)C3)cc21 ZINC000543954475 564369876 /nfs/dbraw/zinc/36/98/76/564369876.db2.gz YSDBEIBMWHNZRP-NSHDSACASA-N 1 0 380.286 2.963 20 0 GFADRO C[C@@H](C[NH+]1CCOCC1)C(=O)N1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000544022889 564371343 /nfs/dbraw/zinc/37/13/43/564371343.db2.gz GIWOXCYXUFWQCJ-DZGCQCFKSA-N 1 0 387.307 2.941 20 0 GFADRO C[C@H](CNC(=O)c1cc(Br)cnc1OCC1CC1)[N@H+](C)C1CC1 ZINC000511442087 564372679 /nfs/dbraw/zinc/37/26/79/564372679.db2.gz DODQPRFLEOYGCN-LLVKDONJSA-N 1 0 382.302 2.845 20 0 GFADRO CN(C)S(=O)(=O)c1ccc(OCC[N@@H+]2CCC[C@@]3(CCSC3)C2)cc1 ZINC000451964695 564372994 /nfs/dbraw/zinc/37/29/94/564372994.db2.gz KSINPFGKXCHLNY-GOSISDBHSA-N 1 0 384.567 2.535 20 0 GFADRO COC(=O)CC[C@H]([NH3+])C(=O)NCc1nc(-c2ccc(Cl)cc2)c(C)s1 ZINC000567497360 564374453 /nfs/dbraw/zinc/37/44/53/564374453.db2.gz SCSNDUOWHXSHIG-ZDUSSCGKSA-N 1 0 381.885 2.669 20 0 GFADRO C[C@H]1[NH2+]CC[C@H]1C(=O)N(CCn1ccnc1)Cc1ccccc1Br ZINC000567611150 564379332 /nfs/dbraw/zinc/37/93/32/564379332.db2.gz LUPVPMZPFYBMLY-GDBMZVCRSA-N 1 0 391.313 2.672 20 0 GFADRO CSC[C@H](O)C[NH2+][C@@H](C)CCc1ccc(I)cc1 ZINC000567605905 564379919 /nfs/dbraw/zinc/37/99/19/564379919.db2.gz KEKSAIUKOJVDTR-SMDDNHRTSA-N 1 0 379.307 2.926 20 0 GFADRO CC(C)(CC[NH3+])NC(=O)CCC[S@](=O)c1ccc(Br)cc1 ZINC000567657124 564381270 /nfs/dbraw/zinc/38/12/70/564381270.db2.gz TUSCRIKJBAUAAE-NRFANRHFSA-N 1 0 375.332 2.581 20 0 GFADRO C[C@H](NCCc1ccc(S(=O)(=O)N2CCCCC2)s1)[C@H]1CCCC[NH2+]1 ZINC000567641203 564381483 /nfs/dbraw/zinc/38/14/83/564381483.db2.gz MYMQAWUCGLZKNJ-DOTOQJQBSA-N 1 0 385.599 2.585 20 0 GFADRO CN(C)Cc1cnc(C[NH2+]C[C@H](CO)Cc2ccc(Br)cc2)s1 ZINC000511788952 564381902 /nfs/dbraw/zinc/38/19/02/564381902.db2.gz VQOWEZJRKZOVGB-CQSZACIVSA-N 1 0 398.370 2.908 20 0 GFADRO O=S1(=O)CCC(O)(C[NH2+]CCSCc2cccc3ccccc32)CC1 ZINC000567681566 564382034 /nfs/dbraw/zinc/38/20/34/564382034.db2.gz VWXYSTGHCBISAU-UHFFFAOYSA-N 1 0 379.547 2.602 20 0 GFADRO Cc1nccn1CCCC[NH2+]C[C@@H](O)COc1ccc(Br)cc1 ZINC000567690142 564382915 /nfs/dbraw/zinc/38/29/15/564382915.db2.gz ZCMYSZFJRMTVBD-MRXNPFEDSA-N 1 0 382.302 2.764 20 0 GFADRO CC(C)[N@H+](C)CCNC(=O)[C@@H](c1cc(Cl)cc(Cl)c1)N1CCOCC1 ZINC000511834454 564383393 /nfs/dbraw/zinc/38/33/93/564383393.db2.gz KMIJRKGPVKXOTE-QGZVFWFLSA-N 1 0 388.339 2.823 20 0 GFADRO CC(C)(C)OC(=O)CC[NH2+]CCS(=O)(=O)c1cccc(Br)c1 ZINC000567689483 564383579 /nfs/dbraw/zinc/38/35/79/564383579.db2.gz KVLWWWZLNDVFHK-UHFFFAOYSA-N 1 0 392.315 2.544 20 0 GFADRO Cc1ccc(Br)cc1CN1CCN(C(=O)c2cnn(C)c2)[C@@H](C)C1 ZINC000452046410 564386773 /nfs/dbraw/zinc/38/67/73/564386773.db2.gz WHKYGUIKHRMPAQ-AWEZNQCLSA-N 1 0 391.313 2.838 20 0 GFADRO Cc1ccc(C[C@@H](CO)[NH2+]Cc2ncc(I)s2)cc1 ZINC000511958925 564387088 /nfs/dbraw/zinc/38/70/88/564387088.db2.gz WHNDPXKTLHOECA-LBPRGKRZSA-N 1 0 388.274 2.749 20 0 GFADRO C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)NCCNc1cc[nH+]cc1 ZINC000512006350 564388512 /nfs/dbraw/zinc/38/85/12/564388512.db2.gz FWEXFLOHWLWOTG-LLVKDONJSA-N 1 0 398.688 2.915 20 0 GFADRO COCCn1cc(C[NH2+]CCC(=O)Nc2ccc(Br)cc2C)cn1 ZINC000544600064 564389491 /nfs/dbraw/zinc/38/94/91/564389491.db2.gz YYIVWFMICHWFOB-UHFFFAOYSA-N 1 0 395.301 2.719 20 0 GFADRO CC[C@H](C)[NH2+][C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 ZINC000477921974 564390404 /nfs/dbraw/zinc/39/04/04/564390404.db2.gz PKIFWIBEPBJJMT-GXTWGEPZSA-N 1 0 375.332 2.990 20 0 GFADRO CCCN(CC1CC1)S(=O)(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000452092450 564390741 /nfs/dbraw/zinc/39/07/41/564390741.db2.gz DQWHPVVDFXPGIQ-UHFFFAOYSA-N 1 0 385.496 2.702 20 0 GFADRO C[NH2+][C@H](C(=O)N1CCC(c2ccccc2Br)CC1)c1cnn(C)c1 ZINC000567825638 564390827 /nfs/dbraw/zinc/39/08/27/564390827.db2.gz WJEFXJUDHNLPHM-KRWDZBQOSA-N 1 0 391.313 2.849 20 0 GFADRO C[C@H](C[NH2+][C@@H](Cc1ccccc1)C(N)=O)Oc1ccc(Br)cc1 ZINC000544640408 564391789 /nfs/dbraw/zinc/39/17/89/564391789.db2.gz XQTINPHBKFSLFV-DYVFJYSZSA-N 1 0 377.282 2.903 20 0 GFADRO COC[C@]1(CNC(=O)Cc2csc(-c3ccccc3Cl)n2)CCC[NH2+]1 ZINC000567836644 564392048 /nfs/dbraw/zinc/39/20/48/564392048.db2.gz FZRXXEYKEQVHBS-GOSISDBHSA-N 1 0 379.913 2.891 20 0 GFADRO C[C@H]([NH3+])C[C@H](C)NS(=O)(=O)c1ccc(Br)c(C(F)(F)F)c1 ZINC000567859545 564392572 /nfs/dbraw/zinc/39/25/72/564392572.db2.gz GQHPQVCNINZJNE-YUMQZZPRSA-N 1 0 389.237 2.872 20 0 GFADRO Cc1ccc(Br)c(S(=O)(=O)N(C)[C@H]2CC[N@@H+](C(C)C)C2)c1 ZINC000452103589 564393104 /nfs/dbraw/zinc/39/31/04/564393104.db2.gz KWXFOPAJNAWAFQ-ZDUSSCGKSA-N 1 0 375.332 2.861 20 0 GFADRO O=S(=O)(c1cc(Br)sc1Cl)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000567868346 564393767 /nfs/dbraw/zinc/39/37/67/564393767.db2.gz NIGGJXNNRFNIAR-GFCCVEGCSA-N 1 0 399.763 2.928 20 0 GFADRO CC(C)(C)C[C@@H](CO)[NH2+]CCS(=O)(=O)c1cccc(Br)c1 ZINC000567872708 564393890 /nfs/dbraw/zinc/39/38/90/564393890.db2.gz FBZNIBDKDCAGFG-ZDUSSCGKSA-N 1 0 378.332 2.610 20 0 GFADRO CC[NH+](CC)C[C@H](C)NC(=O)NCc1cn2cc(Br)cc(C)c2n1 ZINC000544681740 564394162 /nfs/dbraw/zinc/39/41/62/564394162.db2.gz GUCKWBPOGJBOEF-ZDUSSCGKSA-N 1 0 396.333 2.935 20 0 GFADRO C[C@@H]1C[N@H+](CCO)CCN1Cc1cccc(Br)c1OC(F)F ZINC000452118220 564394955 /nfs/dbraw/zinc/39/49/55/564394955.db2.gz DUEGLPBRYWCMBW-LLVKDONJSA-N 1 0 379.245 2.549 20 0 GFADRO C[C@H]1[C@H](NC(=O)c2c(Br)cnn2C)CC[N@@H+]1Cc1ccccc1 ZINC000452130915 564395311 /nfs/dbraw/zinc/39/53/11/564395311.db2.gz YUGMQZWWSYSSDQ-SWLSCSKDSA-N 1 0 377.286 2.575 20 0 GFADRO O=C(CSc1cccc(Br)c1)N[C@H](CO)C[NH+]1CCCCC1 ZINC000512359354 564398637 /nfs/dbraw/zinc/39/86/37/564398637.db2.gz FNCNXRQDTZKPLO-AWEZNQCLSA-N 1 0 387.343 2.504 20 0 GFADRO C[C@@H](Cc1ccc(Br)cc1)C(=O)N[C@H](CO)C[NH+]1CCCCC1 ZINC000512394363 564399671 /nfs/dbraw/zinc/39/96/71/564399671.db2.gz CIMQQSYLLKHTEW-YOEHRIQHSA-N 1 0 383.330 2.591 20 0 GFADRO C[C@@H]([NH3+])[C@@H](C)NC(=O)c1ccc(I)c(Br)c1 ZINC000568087173 564404522 /nfs/dbraw/zinc/40/45/22/564404522.db2.gz UCTHJCMQDCGJGQ-RNFRBKRXSA-N 1 0 397.054 2.519 20 0 GFADRO O=C(NC[C@@H]1CCC[N@H+]1CCCO)[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000452344238 564407044 /nfs/dbraw/zinc/40/70/44/564407044.db2.gz NMSFVXKWPORWKI-YESZJQIVSA-N 1 0 381.314 2.516 20 0 GFADRO COCC[N@@H+]1CCCN(C(=O)C(C)(C)c2ccc(Br)cc2)CC1 ZINC000478559720 564407418 /nfs/dbraw/zinc/40/74/18/564407418.db2.gz DMZGGFRTTJWSGB-UHFFFAOYSA-N 1 0 383.330 2.907 20 0 GFADRO O=C(NC[C@@H]1CCC[N@H+]1CCCO)c1cc(Cl)cc(Br)c1F ZINC000452358009 564407920 /nfs/dbraw/zinc/40/79/20/564407920.db2.gz FNRUFCHQLSIDFP-NSHDSACASA-N 1 0 393.684 2.818 20 0 GFADRO O=C(NC[C@@H]1CCCC[N@H+]1CCO)C1(c2cc(F)cc(Br)c2)CC1 ZINC000452368778 564409164 /nfs/dbraw/zinc/40/91/64/564409164.db2.gz DAHWDAICCDLBPX-INIZCTEOSA-N 1 0 399.304 2.583 20 0 GFADRO O=C(CSc1cccc(C(F)(F)F)c1)NC[C@H]1CCCC[N@H+]1CCO ZINC000452374491 564410106 /nfs/dbraw/zinc/41/01/06/564410106.db2.gz KFKULBJVKIJROT-CQSZACIVSA-N 1 0 376.444 2.761 20 0 GFADRO C[N@@H+]1CC[C@@](O)(CNC(=O)Nc2ccc(Br)c(Cl)c2Cl)C1 ZINC000545169347 564410919 /nfs/dbraw/zinc/41/09/19/564410919.db2.gz LCYLROWBEOFTDO-CYBMUJFWSA-N 1 0 397.100 2.944 20 0 GFADRO O=C(N[C@H]1CCC[N@@H+](CCCO)C1)c1cc(Cl)cc(Br)c1 ZINC000452383877 564411576 /nfs/dbraw/zinc/41/15/76/564411576.db2.gz PNJUNEWYLAGQHC-AWEZNQCLSA-N 1 0 375.694 2.679 20 0 GFADRO C[C@H]([NH3+])C[C@H](C)NC(=O)NCC1(c2ccc(Br)cc2)CCOCC1 ZINC000568388114 564416610 /nfs/dbraw/zinc/41/66/10/564416610.db2.gz FQKNNIOTDPIYKV-KBPBESRZSA-N 1 0 398.345 2.922 20 0 GFADRO Cc1ccc(C[NH2+]C[C@@H]2CCCCN2S(C)(=O)=O)c(Br)c1 ZINC000513011981 564417686 /nfs/dbraw/zinc/41/76/86/564417686.db2.gz LAKMRWBLEIPXQQ-AWEZNQCLSA-N 1 0 375.332 2.661 20 0 GFADRO Cc1cc(C[NH2+]C[C@@H]2CCCCN2S(C)(=O)=O)sc1Br ZINC000513012474 564417699 /nfs/dbraw/zinc/41/76/99/564417699.db2.gz QFJUWAFLSYELHM-NSHDSACASA-N 1 0 381.361 2.723 20 0 GFADRO Cc1cc(Cl)ccc1S(=O)(=O)NCC[NH2+]Cc1ccccc1N(C)C ZINC000513016335 564418104 /nfs/dbraw/zinc/41/81/04/564418104.db2.gz HRZADMGLLFXDSF-UHFFFAOYSA-N 1 0 381.929 2.783 20 0 GFADRO C[N@H+](C[C@H](O)COc1ccc(Oc2ncc(Br)cn2)cc1)C1CC1 ZINC000568456783 564419239 /nfs/dbraw/zinc/41/92/39/564419239.db2.gz MNUDUQXZGURDDJ-AWEZNQCLSA-N 1 0 394.269 2.865 20 0 GFADRO C[NH+]1CCC(n2ccc(NCc3cn4ccc(Br)cc4n3)n2)CC1 ZINC000568450097 564419277 /nfs/dbraw/zinc/41/92/77/564419277.db2.gz IWYKRJOJRAZKEB-UHFFFAOYSA-N 1 0 389.301 3.172 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000479038808 564422955 /nfs/dbraw/zinc/42/29/55/564422955.db2.gz COXCYGMFRHAXSG-CABCVRRESA-N 1 0 394.313 2.645 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000479035715 564423038 /nfs/dbraw/zinc/42/30/38/564423038.db2.gz SPWGSWWPPHDGRE-BXUZGUMPSA-N 1 0 382.302 2.549 20 0 GFADRO O=C(Nc1ncc(Cc2ccccc2Cl)s1)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000479072995 564424412 /nfs/dbraw/zinc/42/44/12/564424412.db2.gz WKBIZUBFMORWER-INIZCTEOSA-N 1 0 376.913 2.716 20 0 GFADRO CN1CCN(C(=O)CC[NH2+][C@@H](c2ccc(Br)cc2F)C2CC2)CC1 ZINC000479067822 564424429 /nfs/dbraw/zinc/42/44/29/564424429.db2.gz WMHBPQAAABGCEM-GOSISDBHSA-N 1 0 398.320 2.793 20 0 GFADRO C[NH+](C)[C@@H]1CCOc2c(NC(=O)c3csc(S(C)(=O)=O)c3)cccc21 ZINC000568595092 564425917 /nfs/dbraw/zinc/42/59/17/564425917.db2.gz QOQHRFTZYCHKPG-CQSZACIVSA-N 1 0 380.491 2.789 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H](C)c2ncc(Br)cn2)[C@@H](C)C1 ZINC000568600230 564426209 /nfs/dbraw/zinc/42/62/09/564426209.db2.gz HDLSHPGGVRFOBB-OBJOEFQTSA-N 1 0 384.322 2.672 20 0 GFADRO CN(Cc1ccc(Cl)s1)C(=O)C[NH2+][C@@H]1CCCC[C@@H]1N1CCOCC1 ZINC000568588486 564426249 /nfs/dbraw/zinc/42/62/49/564426249.db2.gz HDLSEWKYFAGYLS-CVEARBPZSA-N 1 0 385.961 2.593 20 0 GFADRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(O)c(OC)cc2Br)[C@]12CCCO2 ZINC000545550196 564427475 /nfs/dbraw/zinc/42/74/75/564427475.db2.gz VCFDCGRHUNMMQI-BRWVUGGUSA-N 1 0 386.286 2.980 20 0 GFADRO CNS(=O)(=O)C[C@@H]1CCCN1Cc1c(Cl)cc(Cl)cc1N(C)C ZINC000568691299 564430818 /nfs/dbraw/zinc/43/08/18/564430818.db2.gz MSJFWXKUPYCIAQ-LBPRGKRZSA-N 1 0 380.341 2.573 20 0 GFADRO CCOC(=O)[C@H](Cc1cc(Cl)cc(Cl)c1)NC(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000479207697 564431044 /nfs/dbraw/zinc/43/10/44/564431044.db2.gz JPYLGYUOHCKKDN-RBOXIYTFSA-N 1 0 387.307 2.972 20 0 GFADRO C/C(=C\c1ccc(Cl)cc1)C[NH2+]CCS(=O)(=O)NC[C@H]1CCCCO1 ZINC000513538066 564432084 /nfs/dbraw/zinc/43/20/84/564432084.db2.gz GQTGBUNOIDVGFN-NKAIQICCSA-N 1 0 386.945 2.821 20 0 GFADRO C[C@@H](Cc1ccc(Br)cc1)[NH2+]CCNS(=O)(=O)c1ccccc1 ZINC000479250914 564433942 /nfs/dbraw/zinc/43/39/42/564433942.db2.gz JAXIHYYORGEUFM-AWEZNQCLSA-N 1 0 397.338 2.948 20 0 GFADRO CC[C@@H]1CN(C)CCN1C(=O)c1nn(-c2ccc(F)cc2)cc1Br ZINC000568789642 564434077 /nfs/dbraw/zinc/43/40/77/564434077.db2.gz ISOXOBVFKHUHHO-CYBMUJFWSA-N 1 0 395.276 2.940 20 0 GFADRO CC[NH+]1CCN(CCC(=O)N2CC[C@@H](c3cccc(Br)c3)C2)CC1 ZINC000452842015 564434131 /nfs/dbraw/zinc/43/41/31/564434131.db2.gz IDWDZPQMEANDNU-QGZVFWFLSA-N 1 0 394.357 2.793 20 0 GFADRO C[N@@H+]1CC[C@@](O)(CNC(=O)Nc2ncc(Cc3ccccc3Cl)s2)C1 ZINC000545869013 564434856 /nfs/dbraw/zinc/43/48/56/564434856.db2.gz FGUFYMGTDNPQTG-QGZVFWFLSA-N 1 0 380.901 2.575 20 0 GFADRO Cc1[nH]c(=O)c(Br)cc1C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000513624885 564434944 /nfs/dbraw/zinc/43/49/44/564434944.db2.gz OJIDPGCJAKNBIM-ZDUSSCGKSA-N 1 0 382.302 2.852 20 0 GFADRO CC(C)[N@H+](C)C[C@H](C)NC(=O)Nc1ccc(S(C)(=O)=O)c(C(F)F)c1 ZINC000568801777 564435324 /nfs/dbraw/zinc/43/53/24/564435324.db2.gz QKMKFNSNKBAYAN-NSHDSACASA-N 1 0 377.457 2.878 20 0 GFADRO C[C@H](C(=O)NCC(=O)Nc1cccc(Br)c1)[NH+]1CCCCCC1 ZINC000479336689 564436553 /nfs/dbraw/zinc/43/65/53/564436553.db2.gz AUANKWZCGLHDRE-CYBMUJFWSA-N 1 0 382.302 2.768 20 0 GFADRO O=C(NCC[NH2+][C@@H](c1ccc(Br)cc1F)C1CC1)c1ccn[nH]1 ZINC000479433177 564439712 /nfs/dbraw/zinc/43/97/12/564439712.db2.gz YUZRYAYHYPARSE-OAHLLOKOSA-N 1 0 381.249 2.782 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[C@@]34CCc3cc(Br)ccc34)C[C@@H]21 ZINC000453014677 564443042 /nfs/dbraw/zinc/44/30/42/564443042.db2.gz UQWMZGNNKHQYJD-JYYRGQEPSA-N 1 0 375.310 2.816 20 0 GFADRO C[C@@H](NC(=O)CNC(=O)c1sc2ccccc2c1Cl)[C@H]1CCC[NH2+]C1 ZINC000568982678 564443516 /nfs/dbraw/zinc/44/35/16/564443516.db2.gz IRJWCBVNSVAQEN-NEPJUHHUSA-N 1 0 379.913 2.789 20 0 GFADRO C[C@H](NC[C@@H](O)C[NH+]1CCCC1)c1ccc(F)c(I)c1 ZINC000453083968 564445386 /nfs/dbraw/zinc/44/53/86/564445386.db2.gz GQLDJIBAAQKNQS-WCQYABFASA-N 1 0 392.256 2.538 20 0 GFADRO CC(=O)N1CCN(CC[NH2+][C@H](Cc2ccccc2Br)C2CC2)CC1 ZINC000453057323 564445934 /nfs/dbraw/zinc/44/59/34/564445934.db2.gz IAPWSLZUNRULHB-LJQANCHMSA-N 1 0 394.357 2.524 20 0 GFADRO C[C@H]([NH2+]CCCN1CCOCC1)c1ccc(F)c(I)c1 ZINC000453057519 564446042 /nfs/dbraw/zinc/44/60/42/564446042.db2.gz MKJTYKDOYRHNKZ-LBPRGKRZSA-N 1 0 392.256 2.803 20 0 GFADRO NC(=O)[C@@H]1CCCN1CCC[NH2+][C@H](Cc1ccccc1Br)C1CC1 ZINC000453111545 564446662 /nfs/dbraw/zinc/44/66/62/564446662.db2.gz OVRZNFOWRWAQIC-MSOLQXFVSA-N 1 0 394.357 2.700 20 0 GFADRO O=S(=O)(Cc1ccon1)NCC[NH2+][C@@H](c1ccc(Cl)cc1)C1CCC1 ZINC000453131901 564448019 /nfs/dbraw/zinc/44/80/19/564448019.db2.gz LVKORUUXMLTPAB-QGZVFWFLSA-N 1 0 383.901 2.878 20 0 GFADRO CCOC(=O)[C@@H](C)[C@H](C)[NH2+]CC(=O)N(C)Cc1ccccc1Br ZINC000514241003 564448082 /nfs/dbraw/zinc/44/80/82/564448082.db2.gz HPGRBPBOODOLRT-STQMWFEESA-N 1 0 385.302 2.585 20 0 GFADRO C[C@H]([NH2+][C@@H]1CC(=O)N(C2CC2)C1)c1ccc(F)c(I)c1 ZINC000453148186 564448590 /nfs/dbraw/zinc/44/85/90/564448590.db2.gz JQBPSURMMBGAPV-GXSJLCMTSA-N 1 0 388.224 2.844 20 0 GFADRO COc1ccc2c(c1)C[C@H]([NH2+]CC(=O)Nc1cccc(Br)c1)CO2 ZINC000453192638 564449546 /nfs/dbraw/zinc/44/95/46/564449546.db2.gz CEXSPCRIKFWDQQ-HNNXBMFYSA-N 1 0 391.265 2.990 20 0 GFADRO CC[C@@H](COCC(F)(F)F)[NH2+][C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000453255821 564450437 /nfs/dbraw/zinc/45/04/37/564450437.db2.gz KZYVVQFVHFOQAH-OCCSQVGLSA-N 1 0 382.448 2.945 20 0 GFADRO COC(=O)c1csc([C@H](C)[NH2+]CCn2cc(Br)ccc2=O)c1 ZINC000453254773 564450538 /nfs/dbraw/zinc/45/05/38/564450538.db2.gz RJOZVKCHMMSDCR-JTQLQIEISA-N 1 0 385.283 2.810 20 0 GFADRO C[C@H]([NH2+]CCn1cc(Br)ccc1=O)c1ccc2c(c1)OCCO2 ZINC000453252958 564450620 /nfs/dbraw/zinc/45/06/20/564450620.db2.gz PETGJBBADHNNAP-LBPRGKRZSA-N 1 0 379.254 2.733 20 0 GFADRO C[N@H+](CCNC(=O)c1ccc2cc(I)ccc2n1)C1CC1 ZINC000479793617 564451184 /nfs/dbraw/zinc/45/11/84/564451184.db2.gz CWFZVBSPSKWQHX-UHFFFAOYSA-N 1 0 395.244 2.663 20 0 GFADRO CC[C@@H](CNS(C)(=O)=O)[NH2+][C@@H](c1cccc(OC(F)(F)F)c1)C1CC1 ZINC000453272603 564451600 /nfs/dbraw/zinc/45/16/00/564451600.db2.gz BHZPBGBIOBREHF-DZGCQCFKSA-N 1 0 380.432 2.954 20 0 GFADRO CC[C@H](CNS(C)(=O)=O)[NH2+][C@H]1CCc2cc(Br)cc(C)c21 ZINC000453289562 564452165 /nfs/dbraw/zinc/45/21/65/564452165.db2.gz SKZZVIXYTABCMJ-KGLIPLIRSA-N 1 0 375.332 2.662 20 0 GFADRO C[C@H]1CC2(CN1C(=O)c1n[nH]c3ccc(Br)cc31)CC[NH2+]CC2 ZINC000514667384 564453529 /nfs/dbraw/zinc/45/35/29/564453529.db2.gz CRBIGTFDYLUSBF-NSHDSACASA-N 1 0 377.286 2.930 20 0 GFADRO COc1ccc(C[C@@H](CO)C[NH2+][C@@H](C)c2ccncn2)cc1Br ZINC000453392099 564455849 /nfs/dbraw/zinc/45/58/49/564455849.db2.gz ZCGLBCJDVKYWFG-GXTWGEPZSA-N 1 0 380.286 2.750 20 0 GFADRO O=C(NCc1noc(-c2cccc(Br)c2)n1)[C@@H]1CC12CC[NH2+]CC2 ZINC000569338217 564458981 /nfs/dbraw/zinc/45/89/81/564458981.db2.gz IYJIKTJQEODSFN-ZDUSSCGKSA-N 1 0 391.269 2.505 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+]C2CC(OCc3ccccc3)C2)cc1Cl ZINC000514824580 564459091 /nfs/dbraw/zinc/45/90/91/564459091.db2.gz WXOLKWRDWYBKTQ-UHFFFAOYSA-N 1 0 380.897 2.825 20 0 GFADRO CC1=CC[N@H+](CCNC(=O)NCc2cc3c(c(Br)c2)OCO3)CC1 ZINC000546567200 564459147 /nfs/dbraw/zinc/45/91/47/564459147.db2.gz WORACDQNRSHALC-UHFFFAOYSA-N 1 0 396.285 2.629 20 0 GFADRO C[C@H]1[C@H](C)[N@H+](C)CCN1c1ncnc2cccc(I)c21 ZINC000546582966 564459919 /nfs/dbraw/zinc/45/99/19/564459919.db2.gz HVCOKKKXOKYBOG-QWRGUYRKSA-N 1 0 382.249 2.763 20 0 GFADRO O[C@H](COc1c(Cl)cccc1Cl)C[N@@H+]1CCC[C@H](N2CCOCC2)C1 ZINC000569376019 564460893 /nfs/dbraw/zinc/46/08/93/564460893.db2.gz KNIPKNUAWSCIOF-GJZGRUSLSA-N 1 0 389.323 2.530 20 0 GFADRO CC[C@@H](CCO)C[NH2+][C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000480166027 564462567 /nfs/dbraw/zinc/46/25/67/564462567.db2.gz QJJUOXLDJYROIG-SMDDNHRTSA-N 1 0 376.316 2.666 20 0 GFADRO COc1cc(C[NH2+][C@@H](C)[C@H]2CCOC2)cc(I)c1OC ZINC000546667372 564463686 /nfs/dbraw/zinc/46/36/86/564463686.db2.gz JDJUMLCKRHVENV-JQWIXIFHSA-N 1 0 391.249 2.823 20 0 GFADRO [NH3+]C[C@@H](NC(=O)NCc1cc(Br)cc2c1OCC2)C1CCCC1 ZINC000569459443 564464758 /nfs/dbraw/zinc/46/47/58/564464758.db2.gz LGTDKGXXZDSULU-OAHLLOKOSA-N 1 0 382.302 2.701 20 0 GFADRO CN(CCC[NH+]1CCCC1)C(=O)c1cc(F)ccc1I ZINC000546694505 564464892 /nfs/dbraw/zinc/46/48/92/564464892.db2.gz GMJBOGFGRAMXAQ-UHFFFAOYSA-N 1 0 390.240 2.988 20 0 GFADRO C[C@@H](Cn1ccnc1)[NH2+][C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000480228117 564465170 /nfs/dbraw/zinc/46/51/70/564465170.db2.gz RLMMFOFDBGIMBO-SMDDNHRTSA-N 1 0 384.299 2.542 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)c2c[nH]nc2-c2ccc(Cl)s2)CC12CCOCC2 ZINC000515059770 564468045 /nfs/dbraw/zinc/46/80/45/564468045.db2.gz LXAUONICTJDXKE-NSHDSACASA-N 1 0 380.901 2.619 20 0 GFADRO CC(C)[N@H+](C)C[C@@H](C)NC(=O)C(=O)Nc1cc(Cl)cc(Br)c1 ZINC000453765554 564470082 /nfs/dbraw/zinc/47/00/82/564470082.db2.gz QWZNTVKEKJAORN-SNVBAGLBSA-N 1 0 390.709 2.886 20 0 GFADRO O=C(NC[C@@H]1C[NH2+]CCO1)N1CCC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000515144752 564470856 /nfs/dbraw/zinc/47/08/56/564470856.db2.gz FBIZAYAAEQUBRA-KGLIPLIRSA-N 1 0 388.295 2.535 20 0 GFADRO CCN(CC)S(=O)(=O)c1ccc(C[NH2+][C@H]2[C@H]3CCO[C@H]3C23CCC3)s1 ZINC000569662862 564473578 /nfs/dbraw/zinc/47/35/78/564473578.db2.gz OJNCJAFZHDJBFP-HYVNUMGLSA-N 1 0 384.567 2.826 20 0 GFADRO COc1cc(Br)ccc1CCC[N@@H+]1CC[C@H](NC(=O)NC2CC2)C1 ZINC000546918126 564473837 /nfs/dbraw/zinc/47/38/37/564473837.db2.gz HIRSXHJSRJMHFA-INIZCTEOSA-N 1 0 396.329 2.926 20 0 GFADRO O=c1cc(C[NH2+][C@H](CCO)C2CCCCC2)nc2ccc(Br)cn12 ZINC000546934029 564474257 /nfs/dbraw/zinc/47/42/57/564474257.db2.gz JRYNCZDPLOBWSS-MRXNPFEDSA-N 1 0 394.313 2.878 20 0 GFADRO C[C@H](C(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1)c1ccc(Br)s1 ZINC000515382975 564477702 /nfs/dbraw/zinc/47/77/02/564477702.db2.gz JFDORLGWMFXQHB-NVBFEUDRSA-N 1 0 387.343 2.969 20 0 GFADRO CC(=O)N1CCN(CC[NH2+][C@@H]2C[C@H](C)c3c2cccc3Br)CC1 ZINC000480601880 564479164 /nfs/dbraw/zinc/47/91/64/564479164.db2.gz RETGYOFRDLCIIB-SUMWQHHRSA-N 1 0 380.330 2.751 20 0 GFADRO COC[C@H](C)OC[C@@H](O)C[NH2+][C@@H]1CCN(c2ccc(Cl)cc2Cl)C1 ZINC000569837704 564480244 /nfs/dbraw/zinc/48/02/44/564480244.db2.gz VULLKIOZVOOWDK-CFVMTHIKSA-N 1 0 377.312 2.574 20 0 GFADRO C[C@H]([NH2+]CCS(=O)(=O)NCc1ccccc1)c1cncc(Br)c1 ZINC000569868215 564482079 /nfs/dbraw/zinc/48/20/79/564482079.db2.gz UOZLIBKKMQNRQK-ZDUSSCGKSA-N 1 0 398.326 2.614 20 0 GFADRO CC(C)[NH2+]CCCNC(=O)NCc1noc(-c2cccc(Br)c2)n1 ZINC000515620756 564484163 /nfs/dbraw/zinc/48/41/63/564484163.db2.gz CGRWVUHACZWJGM-UHFFFAOYSA-N 1 0 396.289 2.686 20 0 GFADRO Cc1cccc(C[NH+]2CCN(c3ncc(I)cn3)CC2)c1 ZINC000547328034 564484515 /nfs/dbraw/zinc/48/45/15/564484515.db2.gz MLQJXBCVJPNOSK-UHFFFAOYSA-N 1 0 394.260 2.712 20 0 GFADRO CC[NH+](CC)[C@H](CNC(=O)Cn1cc(Br)cn1)Cc1ccccc1 ZINC000515793544 564487435 /nfs/dbraw/zinc/48/74/35/564487435.db2.gz MSXUQJTVCHHQCE-KRWDZBQOSA-N 1 0 393.329 2.715 20 0 GFADRO NC(=O)c1ccc(N2CCN(Cc3cscc3Br)CC2)cc1 ZINC000515917749 564489537 /nfs/dbraw/zinc/48/95/37/564489537.db2.gz XAJREBMOHUECGW-UHFFFAOYSA-N 1 0 380.311 2.932 20 0 GFADRO CO[C@@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000570188069 564495324 /nfs/dbraw/zinc/49/53/24/564495324.db2.gz YAXCIVLSOSEYJZ-XABYNWHXSA-N 1 0 382.302 2.528 20 0 GFADRO Cc1ccc(C[N@H+]2CC[C@H](CN(C)[C@@H](C)C(=O)NCC(F)(F)F)C2)s1 ZINC000516186001 564496341 /nfs/dbraw/zinc/49/63/41/564496341.db2.gz UKMZCSCNKSGFPN-UONOGXRCSA-N 1 0 377.476 2.877 20 0 GFADRO C[C@@H]1CCC[N@@H+](C(C)(C)CNS(=O)(=O)c2ccc(C(F)(F)F)cn2)C1 ZINC000480957463 564497400 /nfs/dbraw/zinc/49/74/00/564497400.db2.gz SPGLOIIBEGWDGR-GFCCVEGCSA-N 1 0 379.448 2.889 20 0 GFADRO Cc1c(Br)cccc1NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000454105543 564497686 /nfs/dbraw/zinc/49/76/86/564497686.db2.gz QGCMEWBWGASIAG-CYBMUJFWSA-N 1 0 382.302 2.637 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C(C)C)C1 ZINC000454106695 564498187 /nfs/dbraw/zinc/49/81/87/564498187.db2.gz QXBOMNQSLSPCET-HNNXBMFYSA-N 1 0 396.329 2.946 20 0 GFADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)[C@H]1CCc2cc(Br)ccc21 ZINC000570282113 564499315 /nfs/dbraw/zinc/49/93/15/564499315.db2.gz SAJNDYCEXVLPTQ-KDOFPFPSSA-N 1 0 394.357 2.621 20 0 GFADRO C[C@@H]1CC[NH2+][C@@H](C)[C@H]1NC(=O)c1cnn(-c2cccc(Br)c2)c1 ZINC000570322075 564501165 /nfs/dbraw/zinc/50/11/65/564501165.db2.gz UEQBGZIASISRDP-WQGACYEGSA-N 1 0 377.286 2.751 20 0 GFADRO C[C@H]1CC[N@H+](CCNC(=O)C2(c3cccc(Br)c3)CC(=O)C2)C1 ZINC000516393273 564501292 /nfs/dbraw/zinc/50/12/92/564501292.db2.gz SOQWZAHPGXDMPZ-ZDUSSCGKSA-N 1 0 379.298 2.508 20 0 GFADRO Cc1cc(F)c(Br)cc1S(=O)(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000481057898 564501762 /nfs/dbraw/zinc/50/17/62/564501762.db2.gz KHVVHVFQXQPCRO-MNOVXSKESA-N 1 0 379.295 2.658 20 0 GFADRO Cc1nc(C(C)C)sc1[C@H](C)[NH2+]C[C@H]1CCCCN1S(=O)(=O)N(C)C ZINC000570361353 564502740 /nfs/dbraw/zinc/50/27/40/564502740.db2.gz VGELYFWRTMEROE-DZGCQCFKSA-N 1 0 388.603 2.886 20 0 GFADRO CN(C)CC[N@H+](C)CCCN(C)C(=O)[C@H]1C[C@@H]1c1cccc(Br)c1 ZINC000516511367 564503426 /nfs/dbraw/zinc/50/34/26/564503426.db2.gz SUHBWTMCRWHXHT-MSOLQXFVSA-N 1 0 396.373 2.895 20 0 GFADRO CN(CCC[NH3+])C(=O)C(=O)NCC1(c2ccc(Cl)cc2Cl)CCCC1 ZINC000516492076 564503740 /nfs/dbraw/zinc/50/37/40/564503740.db2.gz GPHZWIRBNIPNFR-UHFFFAOYSA-N 1 0 386.323 2.729 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)c1ccc(I)cn1)c1ccccc1 ZINC000454247152 564504034 /nfs/dbraw/zinc/50/40/34/564504034.db2.gz UIFAZFXHZQTYPC-HNNXBMFYSA-N 1 0 395.244 2.719 20 0 GFADRO Cc1ccc(C[NH2+]C[C@H](O)COc2ccc(Cl)cc2)cc1S(C)(=O)=O ZINC000516563857 564505073 /nfs/dbraw/zinc/50/50/73/564505073.db2.gz XDEPTJGSWJOMRT-INIZCTEOSA-N 1 0 383.897 2.581 20 0 GFADRO O=C(NC[C@@H]1C[NH2+]CCCO1)NCC1(c2ccccc2Br)CCC1 ZINC000516555132 564505174 /nfs/dbraw/zinc/50/51/74/564505174.db2.gz WXXKUXHAXOBLFA-AWEZNQCLSA-N 1 0 396.329 2.549 20 0 GFADRO C[C@H]([NH2+][C@H]1CCC[C@@H](S(C)(=O)=O)C1)c1ncc(Br)cc1F ZINC000547653938 564505903 /nfs/dbraw/zinc/50/59/03/564505903.db2.gz HFNZIUMMYPZPLM-ZMLRMANQSA-N 1 0 379.295 2.990 20 0 GFADRO CCSc1ccc(Cl)cc1NC(=O)C1(S(C)(=O)=O)CC[NH2+]CC1 ZINC000516572019 564505954 /nfs/dbraw/zinc/50/59/54/564505954.db2.gz IAIQTXBXHLQPAU-UHFFFAOYSA-N 1 0 376.931 2.557 20 0 GFADRO Cc1ncsc1CCS(=O)(=O)N[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000570480359 564507381 /nfs/dbraw/zinc/50/73/81/564507381.db2.gz ZMDDMXLBHVWGIL-RDJZCZTQSA-N 1 0 379.551 2.749 20 0 GFADRO C[C@H](NS(=O)(=O)c1ccc(C[NH+](C)C)cc1)c1ccc(Br)cn1 ZINC000481266830 564508344 /nfs/dbraw/zinc/50/83/44/564508344.db2.gz HWMVDOHZPNGNNT-LBPRGKRZSA-N 1 0 398.326 2.945 20 0 GFADRO C[NH+](C)[C@@]1(CNC(=O)NCc2cc(F)cc(Br)c2)CCSC1 ZINC000481312524 564510080 /nfs/dbraw/zinc/51/00/80/564510080.db2.gz UOBLKWOQPCEDRY-OAHLLOKOSA-N 1 0 390.322 2.825 20 0 GFADRO Cc1ccc(S(=O)(=O)NC[C@]2([NH+](C)C)CCSC2)cc1C(F)(F)F ZINC000481333959 564510280 /nfs/dbraw/zinc/51/02/80/564510280.db2.gz CGYFIRCKMKKYQM-CQSZACIVSA-N 1 0 382.473 2.729 20 0 GFADRO OC[C@@H]([NH2+]C[C@@H]1CN(c2ccccc2)CCO1)c1cccc(Br)c1 ZINC000570525188 564510507 /nfs/dbraw/zinc/51/05/07/564510507.db2.gz BBNOTHQVIARMBX-RTBURBONSA-N 1 0 391.309 2.978 20 0 GFADRO Cc1ccc(C)c(OC[C@@H](O)C[NH2+]CCCn2cc(Br)cn2)c1C ZINC000570564755 564511523 /nfs/dbraw/zinc/51/15/23/564511523.db2.gz CNAXWXOIWIRTTI-KRWDZBQOSA-N 1 0 396.329 2.990 20 0 GFADRO C[NH+](C)Cc1cccc(CNC(=O)c2ccc(I)cn2)c1 ZINC000454485058 564512043 /nfs/dbraw/zinc/51/20/43/564512043.db2.gz UNCREWNTURUHST-UHFFFAOYSA-N 1 0 395.244 2.678 20 0 GFADRO COc1ccc(S(=O)(=O)NC[C@]2([NH+](C)C)CCSC2)c(Cl)c1Cl ZINC000481391870 564512033 /nfs/dbraw/zinc/51/20/33/564512033.db2.gz RFGWXIDSPIHEGK-CQSZACIVSA-N 1 0 399.365 2.718 20 0 GFADRO COCC[N@@H+]1CC[C@@H](NC(=O)N[C@@H](C)c2ccc(F)c(Br)c2)C1 ZINC000454533412 564513641 /nfs/dbraw/zinc/51/36/41/564513641.db2.gz CYHFULQSNRKCSN-WCQYABFASA-N 1 0 388.281 2.669 20 0 GFADRO CC(C)C[C@](C)(C[NH3+])NC(=O)c1c(F)cccc1I ZINC000516861875 564514019 /nfs/dbraw/zinc/51/40/19/564514019.db2.gz SILGCFFOGOPUOQ-CQSZACIVSA-N 1 0 378.229 2.924 20 0 GFADRO CC(C)(C)NS(=O)(=O)CC[NH2+][C@H]1CCc2c1ccc(F)c2Br ZINC000570666352 564516434 /nfs/dbraw/zinc/51/64/34/564516434.db2.gz QBBFDTFLYCNBSG-ZDUSSCGKSA-N 1 0 393.322 2.883 20 0 GFADRO CN(C(=O)Nc1nnc(C(F)F)s1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000454595047 564516489 /nfs/dbraw/zinc/51/64/89/564516489.db2.gz QHLBGPXURXFUIK-UHFFFAOYSA-N 1 0 387.378 3.356 20 0 GFADRO Cc1[nH]c(=O)c(C(=O)N2CCC([C@H]3[NH2+]CC3(C)C)CC2)cc1Br ZINC000570717902 564518296 /nfs/dbraw/zinc/51/82/96/564518296.db2.gz HJQHWXDKYLMADZ-CQSZACIVSA-N 1 0 382.302 2.708 20 0 GFADRO COCC[NH2+]C1CCN([C@H](C(=O)OC)c2cccc(Cl)c2Cl)CC1 ZINC000570730456 564518605 /nfs/dbraw/zinc/51/86/05/564518605.db2.gz UATCQYJIOMYEPR-INIZCTEOSA-N 1 0 375.296 2.908 20 0 GFADRO Cc1cc(Br)c(S(=O)(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)s1 ZINC000516970233 564518894 /nfs/dbraw/zinc/51/88/94/564518894.db2.gz DLIQRTNQETWTCR-NWDGAFQWSA-N 1 0 393.372 2.829 20 0 GFADRO C[C@@H](NC(=O)NC[C@H](C)[NH+](C)C)c1nc(-c2ccc(Br)cc2)no1 ZINC000454696220 564519615 /nfs/dbraw/zinc/51/96/15/564519615.db2.gz RJIWGINKHJMVGL-WDEREUQCSA-N 1 0 396.289 2.809 20 0 GFADRO CCO[C@@H](C)c1nc(CN(C)C(=O)NC[C@@]2([NH+](C)C)CCSC2)cs1 ZINC000481796569 564524163 /nfs/dbraw/zinc/52/41/63/564524163.db2.gz PAKHLGCFLSBRES-GUYCJALGSA-N 1 0 386.587 2.819 20 0 GFADRO CCO[C@@H](C)c1nc(CN(C)C(=O)NC[C@]2([NH+](C)C)CCSC2)cs1 ZINC000481796570 564524376 /nfs/dbraw/zinc/52/43/76/564524376.db2.gz PAKHLGCFLSBRES-SUMWQHHRSA-N 1 0 386.587 2.819 20 0 GFADRO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N(Cc1ccc(Cl)c(Cl)c1)C1CC1 ZINC000517105975 564524705 /nfs/dbraw/zinc/52/47/05/564524705.db2.gz GEFYCYQJNMXUOG-LBPRGKRZSA-N 1 0 386.323 2.941 20 0 GFADRO CC[C@H](Cc1ccccc1Br)[N@H+](C)CCCS(=O)(=O)N(C)C ZINC000481840558 564524830 /nfs/dbraw/zinc/52/48/30/564524830.db2.gz VXXBRULBXQGJTB-OAHLLOKOSA-N 1 0 391.375 2.984 20 0 GFADRO OC[C@@H](C[NH2+]Cc1ccc(OC(F)F)c(Br)c1)[C@H]1CCOC1 ZINC000481823877 564525268 /nfs/dbraw/zinc/52/52/68/564525268.db2.gz LCVWCPOQJQWANK-NWDGAFQWSA-N 1 0 380.229 2.785 20 0 GFADRO CCNC(=O)NC(=O)[C@@H](C)[N@H+](C)[C@@H](CC)Cc1ccccc1Br ZINC000481849742 564525840 /nfs/dbraw/zinc/52/58/40/564525840.db2.gz XKVDWTWRQTYJGE-OCCSQVGLSA-N 1 0 384.318 2.936 20 0 GFADRO COC[C@@H]([NH2+]CCNS(=O)(=O)c1ccc(C)cc1)c1cccc(Cl)c1 ZINC000570889069 564526019 /nfs/dbraw/zinc/52/60/19/564526019.db2.gz HDLDRNHUFBCGTQ-GOSISDBHSA-N 1 0 382.913 2.904 20 0 GFADRO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@@H]1CCn2ccnc2C1 ZINC000547979825 564526551 /nfs/dbraw/zinc/52/65/51/564526551.db2.gz QBVMGGIEYZVVAV-IUODEOHRSA-N 1 0 377.286 2.967 20 0 GFADRO C[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000517230010 564527892 /nfs/dbraw/zinc/52/78/92/564527892.db2.gz LUHSDTFXNKHQCQ-RISCZKNCSA-N 1 0 382.295 2.870 20 0 GFADRO CC[C@H]([NH2+]Cc1ccc(OC)nc1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000481915538 564528066 /nfs/dbraw/zinc/52/80/66/564528066.db2.gz LWFKJBHURNHWAL-HNNXBMFYSA-N 1 0 383.901 2.893 20 0 GFADRO O=S1(=O)C[C@H](C[NH2+][C@@H]2CSCCc3ccccc32)Oc2ccccc21 ZINC000570964680 564529839 /nfs/dbraw/zinc/52/98/39/564529839.db2.gz WYDXTKSRUDXRBO-DOTOQJQBSA-N 1 0 375.515 2.842 20 0 GFADRO [NH3+]CCC1CCN(C(=O)C(=O)N[C@@H]2CCSc3ccc(Cl)cc32)CC1 ZINC000570977157 564530509 /nfs/dbraw/zinc/53/05/09/564530509.db2.gz MTGFMXCKJPCOFS-OAHLLOKOSA-N 1 0 381.929 2.581 20 0 GFADRO C[C@H](CNC(=O)c1cnn(-c2cccc(Br)c2)c1)[NH+]1CCCC1 ZINC000517368637 564531902 /nfs/dbraw/zinc/53/19/02/564531902.db2.gz YIQPRFKJRZVNEO-CYBMUJFWSA-N 1 0 377.286 2.849 20 0 GFADRO CC(C)(C[NH2+]CCC(=O)NC(N)=O)c1ccc(Br)cc1Cl ZINC000517556991 564536549 /nfs/dbraw/zinc/53/65/49/564536549.db2.gz YLUYLDGVIUOVOG-UHFFFAOYSA-N 1 0 376.682 2.555 20 0 GFADRO C[C@H]1C[C@H](C)CN(S(=O)(=O)NCC2([NH+]3CCSCC3)CCCCC2)C1 ZINC000482160313 564536802 /nfs/dbraw/zinc/53/68/02/564536802.db2.gz STTWZYRTTGRKDN-IRXDYDNUSA-N 1 0 389.631 2.550 20 0 GFADRO COCCOc1ccc(Br)cc1NC(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000455094170 564537069 /nfs/dbraw/zinc/53/70/69/564537069.db2.gz RKBHIAKOHWGNEW-GFCCVEGCSA-N 1 0 386.290 2.548 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)N[C@H](C)C[N@@H+](C)C(C)C ZINC000571133657 564537304 /nfs/dbraw/zinc/53/73/04/564537304.db2.gz QAYCUBMEFPRSSN-CYBMUJFWSA-N 1 0 399.333 2.724 20 0 GFADRO C[N@H+]1CC=C(CNC(=O)NCCC(=O)Nc2cc(Cl)cc(Cl)c2)CC1 ZINC000517704057 564540351 /nfs/dbraw/zinc/54/03/51/564540351.db2.gz WFBYBUFURDIGCU-UHFFFAOYSA-N 1 0 385.295 2.883 20 0 GFADRO CC[N@@H+]1CCC[C@@H](CNC(=O)NCc2nc(C)c(Br)s2)C1 ZINC000455226664 564544211 /nfs/dbraw/zinc/54/42/11/564544211.db2.gz GVWVJEXQSOESLM-NSHDSACASA-N 1 0 375.336 2.745 20 0 GFADRO C[C@@H]1CN(C(=O)Nc2cc(F)cc(F)c2Br)C[C@H](C)N1CCO ZINC000455252983 564545074 /nfs/dbraw/zinc/54/50/74/564545074.db2.gz KZSFQRGJSXHTRH-AOOOYVTPSA-N 1 0 392.244 2.646 20 0 GFADRO CO[C@H]1C[C@@H](CN(C)C(=O)NC/C=C\c2ccc(Br)cc2)[N@H+](C)C1 ZINC000455324615 564548092 /nfs/dbraw/zinc/54/80/92/564548092.db2.gz JGGMIDMFKSKXKC-FEFZKZJHSA-N 1 0 396.329 2.823 20 0 GFADRO C[C@H](CCCCO)[NH2+]C[C@H](O)COc1ccc(Cl)cc1Br ZINC000571403615 564550069 /nfs/dbraw/zinc/55/00/69/564550069.db2.gz MFHZQIBDYOSGMK-YPMHNXCESA-N 1 0 380.710 2.983 20 0 GFADRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)NCc1ccc(Cl)cc1I ZINC000571439532 564551793 /nfs/dbraw/zinc/55/17/93/564551793.db2.gz PXZIIXKBKZMSJK-RKDXNWHRSA-N 1 0 395.672 2.870 20 0 GFADRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)CCC[S@@](=O)c1ccc(Br)cc1 ZINC000571439282 564551983 /nfs/dbraw/zinc/55/19/83/564551983.db2.gz BFTSEGXBEUEJMV-GIYNXVAASA-N 1 0 387.343 2.533 20 0 GFADRO Cc1ccc(Br)cc1S(=O)(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000518375695 564552301 /nfs/dbraw/zinc/55/23/01/564552301.db2.gz SEBKRXSZRPZZNL-KBPBESRZSA-N 1 0 387.343 2.768 20 0 GFADRO Cc1ccc(I)c(C(=O)N(C)[C@H]2C[NH+]3CCC2CC3)c1 ZINC000518435148 564553254 /nfs/dbraw/zinc/55/32/54/564553254.db2.gz ZQTRVJKBZPRJEH-HNNXBMFYSA-N 1 0 384.261 2.766 20 0 GFADRO O=S1(=O)CC[C@H]([NH2+][C@H]2CCc3n[nH]cc3C2)c2cc(Br)ccc21 ZINC000548483628 564553643 /nfs/dbraw/zinc/55/36/43/564553643.db2.gz ZLAJNGPWMOLFDJ-WFASDCNBSA-N 1 0 396.310 2.538 20 0 GFADRO C[C@H]1COCCN1CC[NH2+]Cc1nc(-c2cccc(Br)c2)c[nH]1 ZINC000518452862 564554335 /nfs/dbraw/zinc/55/43/35/564554335.db2.gz SRFUWKVFIZIZKQ-ZDUSSCGKSA-N 1 0 379.302 2.650 20 0 GFADRO O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)N[C@@H]1CCc2sc(Cl)cc21 ZINC000571538654 564556576 /nfs/dbraw/zinc/55/65/76/564556576.db2.gz GUXBKPQVBOJSBK-PWSUYJOCSA-N 1 0 396.866 2.524 20 0 GFADRO C[C@@H](NC(=O)N1CCC([NH+]2CCCCC2)CC1)c1ncc(Br)cn1 ZINC000571641218 564560126 /nfs/dbraw/zinc/56/01/26/564560126.db2.gz ASNGSRXMKMVOQE-CYBMUJFWSA-N 1 0 396.333 2.960 20 0 GFADRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)Nc1nc(CC(F)(F)F)cs1 ZINC000455680861 564564239 /nfs/dbraw/zinc/56/42/39/564564239.db2.gz DXQWFDVUPBCUJE-SNVBAGLBSA-N 1 0 380.436 2.557 20 0 GFADRO COc1cc(C)c(Br)cc1S(=O)(=O)N1CCCC[C@H]1CC[NH3+] ZINC000571799498 564567065 /nfs/dbraw/zinc/56/70/65/564567065.db2.gz HIYIEADROPPDMC-LBPRGKRZSA-N 1 0 391.331 2.658 20 0 GFADRO Oc1ccc(CC[NH2+]C[C@H](O)COc2cc(F)cc(Br)c2)cc1 ZINC000519141619 564570495 /nfs/dbraw/zinc/57/04/95/564570495.db2.gz OHJPPHLSKSSIKR-INIZCTEOSA-N 1 0 384.245 2.866 20 0 GFADRO C[C@H](CNC(=O)NC[C@@H](C)[N@H+](C)C1CC1)Oc1ccccc1Br ZINC000483728007 564573766 /nfs/dbraw/zinc/57/37/66/564573766.db2.gz OPBNWXBIICTWSM-CHWSQXEVSA-N 1 0 384.318 2.998 20 0 GFADRO CN(C)c1cc(NC(=O)N(C)C[C@H]2CCC[N@H+](C)C2)ncc1Br ZINC000455861038 564575901 /nfs/dbraw/zinc/57/59/01/564575901.db2.gz FXVLXAXHZMKMKF-LBPRGKRZSA-N 1 0 384.322 2.716 20 0 GFADRO CC(C)(CNS(=O)(=O)Cc1ccccc1Br)C[NH+]1CCCC1 ZINC000572020514 564578070 /nfs/dbraw/zinc/57/80/70/564578070.db2.gz IEUXDGXEDFBUKF-UHFFFAOYSA-N 1 0 389.359 2.991 20 0 GFADRO Cc1ccc(S(=O)(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)cn1 ZINC000548867327 564578474 /nfs/dbraw/zinc/57/84/74/564578474.db2.gz BEUCNMSFSDHBBE-UHFFFAOYSA-N 1 0 377.535 2.782 20 0 GFADRO CO[C@H]1CCN(CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)[C@H](C[NH3+])C1 ZINC000572038800 564578918 /nfs/dbraw/zinc/57/89/18/564578918.db2.gz JLGWBINOKQLOSH-RYUDHWBXSA-N 1 0 379.810 2.735 20 0 GFADRO O=C(NC[C@H]1C[NH2+]CCCO1)Nc1cc(Br)cc(C(F)(F)F)c1 ZINC000519528587 564579692 /nfs/dbraw/zinc/57/96/92/564579692.db2.gz KQFLZHRHGUVFLI-GFCCVEGCSA-N 1 0 396.207 2.968 20 0 GFADRO [NH3+][C@@H]1CCC[C@H](CNC(=O)c2ccn(-c3cccc(Br)c3)n2)C1 ZINC000519536285 564579717 /nfs/dbraw/zinc/57/97/17/564579717.db2.gz CTEACAIXBPMWHD-GXTWGEPZSA-N 1 0 377.286 2.882 20 0 GFADRO C[C@H](C[S@](C)=O)NC(=O)Nc1cc(Cl)ccc1OC1CC[NH+](C)CC1 ZINC000455941603 564581349 /nfs/dbraw/zinc/58/13/49/564581349.db2.gz JLYGGXNQLOJMJA-YDBLSZJJSA-N 1 0 387.933 2.702 20 0 GFADRO CC(C)[C@@](C)(CO)[NH2+]Cc1nnnn1-c1ccc(Cl)cc1C(F)(F)F ZINC000519570146 564581448 /nfs/dbraw/zinc/58/14/48/564581448.db2.gz ASVAUMQTYBEFEL-CQSZACIVSA-N 1 0 377.798 2.831 20 0 GFADRO C[NH+](C)C[C@@H]1CN(C(=O)Nc2cc(Cl)cc(Br)c2)CCO1 ZINC000455968047 564582139 /nfs/dbraw/zinc/58/21/39/564582139.db2.gz JAJSCSNFQBUFOL-CYBMUJFWSA-N 1 0 376.682 2.897 20 0 GFADRO CNS(=O)(=O)CCC[NH2+][C@H]1CCN(C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000549036818 564584475 /nfs/dbraw/zinc/58/44/75/564584475.db2.gz SHPAXZVCGVULBR-IRXDYDNUSA-N 1 0 391.940 2.532 20 0 GFADRO COC1(C[NH2+]CC(=O)Nc2ccc(I)cc2)CCCC1 ZINC000572184792 564584653 /nfs/dbraw/zinc/58/46/53/564584653.db2.gz MVXOYYUHDSZDDN-UHFFFAOYSA-N 1 0 388.249 2.779 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000572259494 564587068 /nfs/dbraw/zinc/58/70/68/564587068.db2.gz WIXDWKXUIBENND-UHFFFAOYSA-N 1 0 394.313 2.607 20 0 GFADRO CNc1cc(I)ccc1C(=O)N1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000519704591 564588071 /nfs/dbraw/zinc/58/80/71/564588071.db2.gz LWPUMIOXUYGKSH-QWHCGFSZSA-N 1 0 399.276 2.642 20 0 GFADRO C[N@H+](CC(=O)N1CCOc2ccc(Br)cc2C1)[C@H]1CCSC1 ZINC000549188331 564588227 /nfs/dbraw/zinc/58/82/27/564588227.db2.gz LHODVGBHRACRCW-AWEZNQCLSA-N 1 0 385.327 2.607 20 0 GFADRO O=S(=O)(c1csc(-c2ccccc2)n1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000519773659 564590397 /nfs/dbraw/zinc/59/03/97/564590397.db2.gz PKUXPTRIBUSSGO-MRXNPFEDSA-N 1 0 377.535 2.820 20 0 GFADRO CCN(CC[NH2+]C[C@H](O)COc1cc(F)cc(Br)c1)C(C)C ZINC000519766689 564590403 /nfs/dbraw/zinc/59/04/03/564590403.db2.gz ZUTAMOMDQXIUJC-HNNXBMFYSA-N 1 0 377.298 2.648 20 0 GFADRO [NH3+]C[C@@H]1CCCN(C(=O)Nc2cc(F)c(F)cc2I)C1 ZINC000519808721 564591146 /nfs/dbraw/zinc/59/11/46/564591146.db2.gz DFJFKDRDPZEZTJ-QMMMGPOBSA-N 1 0 395.191 2.772 20 0 GFADRO C[C@H]1CN(S(=O)(=O)Cc2cc(Cl)ccc2Br)CC[C@@H]1[NH3+] ZINC000572363318 564591318 /nfs/dbraw/zinc/59/13/18/564591318.db2.gz UWRSFVSALQDGHT-ZANVPECISA-N 1 0 381.723 2.601 20 0 GFADRO O[C@@H](C[NH2+]CCC1CC(O)C1)COc1ccc(Cl)cc1Br ZINC000572363718 564591459 /nfs/dbraw/zinc/59/14/59/564591459.db2.gz DZWKMPHROTYOMR-GDKBPFBDSA-N 1 0 378.694 2.593 20 0 GFADRO O=C(NCc1cc(Br)cc2c1OCC2)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000572380628 564592307 /nfs/dbraw/zinc/59/23/07/564592307.db2.gz ONVCHGZUGYDFBF-JKSUJKDBSA-N 1 0 394.313 2.571 20 0 GFADRO CCO[C@@H]1COCC[C@@H]1[NH2+][C@H](C)C(=O)Nc1ccc(C)cc1Br ZINC000484654738 564593540 /nfs/dbraw/zinc/59/35/40/564593540.db2.gz ROVNVDKORGNCQU-UHOFOFEASA-N 1 0 385.302 2.868 20 0 GFADRO CCO[C@@H]1COCC[C@H]1[NH2+]CC(=O)N[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000484639937 564593698 /nfs/dbraw/zinc/59/36/98/564593698.db2.gz GTWPDRDOIGVTSR-IUIKQTSFSA-N 1 0 375.296 2.954 20 0 GFADRO CC(=O)N[C@H](CC(=O)NCCC[C@@H]1CCC[NH2+]1)c1ccc(Br)cc1 ZINC000572484176 564597336 /nfs/dbraw/zinc/59/73/36/564597336.db2.gz CUFVKJJRBZTMHC-DLBZAZTESA-N 1 0 396.329 2.665 20 0 GFADRO O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)Nc1cccc(Cl)c1SCC(F)F ZINC000572524525 564598736 /nfs/dbraw/zinc/59/87/36/564598736.db2.gz VXIJMZNAXIJFJZ-LBPRGKRZSA-N 1 0 391.871 2.894 20 0 GFADRO Cc1[nH+]c2ccc(Br)cc2c(NCCCCS(N)(=O)=O)c1C ZINC000549580861 564599720 /nfs/dbraw/zinc/59/97/20/564599720.db2.gz GHEANIVDXYTINY-UHFFFAOYSA-N 1 0 386.315 2.517 20 0 GFADRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)c3cc(Cl)sc3S(N)(=O)=O)ccc21 ZINC000456304325 564599732 /nfs/dbraw/zinc/59/97/32/564599732.db2.gz HTRCVAKETQIHCN-CYBMUJFWSA-N 1 0 399.925 2.850 20 0 GFADRO Cc1ccc(S(=O)(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)cc1Br ZINC000572601598 564601297 /nfs/dbraw/zinc/60/12/97/564601297.db2.gz UWSSKZLKNOQUDM-AWEZNQCLSA-N 1 0 387.343 2.768 20 0 GFADRO CC(C)[NH2+]CCCNC(=O)C(=O)Nc1ccc(Cl)cc1Br ZINC000572612864 564602287 /nfs/dbraw/zinc/60/22/87/564602287.db2.gz LLYQDAMTOBACOY-UHFFFAOYSA-N 1 0 376.682 2.545 20 0 GFADRO C[C@H]1C[N@H+](C)CCN1c1ccc(Br)cc1NC(=O)c1c[nH]cn1 ZINC000456377180 564603344 /nfs/dbraw/zinc/60/33/44/564603344.db2.gz SWORWBMDNISKMJ-NSHDSACASA-N 1 0 378.274 2.565 20 0 GFADRO CO[C@@H]1CCN(Cc2ccnc(-c3ccc(Br)cc3)n2)[C@H](C[NH3+])C1 ZINC000520407884 564603610 /nfs/dbraw/zinc/60/36/10/564603610.db2.gz WZIAKJCSMFYAPD-DLBZAZTESA-N 1 0 391.313 2.844 20 0 GFADRO O=S(=O)(c1cc(F)ccc1Br)N1CCC2(CC[NH2+]CC2)CC1 ZINC000520405703 564603909 /nfs/dbraw/zinc/60/39/09/564603909.db2.gz SEEWPJZAVJOCSZ-UHFFFAOYSA-N 1 0 391.306 2.743 20 0 GFADRO COCC[C@@H]([NH2+]CCN1CCCS1(=O)=O)c1ccc(Cl)c(Cl)c1 ZINC000520437923 564604451 /nfs/dbraw/zinc/60/44/51/564604451.db2.gz TWEYQNHMPCYRQH-OAHLLOKOSA-N 1 0 381.325 2.696 20 0 GFADRO CC[C@@H]([NH2+][C@@H]1CCc2cccc(Br)c2C1)C(=O)N1CCOCC1 ZINC000549779253 564605198 /nfs/dbraw/zinc/60/51/98/564605198.db2.gz ORPMSTKYZXXZAB-RHSMWYFYSA-N 1 0 381.314 2.533 20 0 GFADRO O=C(CC[NH+]1CCC(N2CN=NC2=O)CC1)Nc1cc(Cl)ccc1Cl ZINC000572732152 564608445 /nfs/dbraw/zinc/60/84/45/564608445.db2.gz WJDNWRCUZAGYMA-UHFFFAOYSA-N 1 0 384.267 2.956 20 0 GFADRO CCc1cc(C(=O)N(CC[NH+](CC)CC)[C@@H]2CCS(=O)(=O)C2)sc1C ZINC000572904279 564615536 /nfs/dbraw/zinc/61/55/36/564615536.db2.gz VZAISEWSMMTFHF-MRXNPFEDSA-N 1 0 386.583 2.590 20 0 GFADRO O=C1CCC(=O)N1CC[N@H+]1CCCC[C@H]1Cc1ccccc1Br ZINC000550158242 564616401 /nfs/dbraw/zinc/61/64/01/564616401.db2.gz PHRXINIPTSVLJN-HNNXBMFYSA-N 1 0 379.298 2.995 20 0 GFADRO O=C(NCc1cc(Br)c2c(c1)OCCO2)c1ccc2c[nH+]cn2c1 ZINC000550215368 564616965 /nfs/dbraw/zinc/61/69/65/564616965.db2.gz WRSKNQRXHZYPQV-UHFFFAOYSA-N 1 0 388.221 2.798 20 0 GFADRO C[C@@H]1CN(C(=O)Nc2ccc(I)cc2F)CC[C@H]1[NH3+] ZINC000573021699 564619841 /nfs/dbraw/zinc/61/98/41/564619841.db2.gz ICKYPVFGKZDRAN-LDYMZIIASA-N 1 0 377.201 2.631 20 0 GFADRO C[N@H+](CCNC(=O)C(=O)NCC(C)(C)c1ccc(Cl)c(Cl)c1)C1CC1 ZINC000485574811 564620394 /nfs/dbraw/zinc/62/03/94/564620394.db2.gz XPZSVIYWRPTZSA-UHFFFAOYSA-N 1 0 386.323 2.598 20 0 GFADRO [NH3+]CCc1ccccc1C(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000521263425 564623870 /nfs/dbraw/zinc/62/38/70/564623870.db2.gz LYGVMMXGUWHVAS-UHFFFAOYSA-N 1 0 379.291 2.852 20 0 GFADRO CCN(CCC[NH+](CC)CC)C(=O)C(=O)NCc1ccccc1Br ZINC000550424493 564624005 /nfs/dbraw/zinc/62/40/05/564624005.db2.gz ANTNHBIQUFKREU-UHFFFAOYSA-N 1 0 398.345 2.646 20 0 GFADRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(=O)NCc2cccc(Cl)c2Cl)C1 ZINC000550418817 564624086 /nfs/dbraw/zinc/62/40/86/564624086.db2.gz MEAJGEGAJDCMNX-ZDUSSCGKSA-N 1 0 386.323 2.846 20 0 GFADRO CN(C)c1ncc(Br)cc1C(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000456685681 564624643 /nfs/dbraw/zinc/62/46/43/564624643.db2.gz RCTAFZTZYNEVCW-UHFFFAOYSA-N 1 0 381.318 2.657 20 0 GFADRO OC[C@]1([C@H]([NH2+]Cc2ccc(I)cc2)C2CC2)CCCO1 ZINC000550502511 564626046 /nfs/dbraw/zinc/62/60/46/564626046.db2.gz JVYVPXJQRFCSBM-CVEARBPZSA-N 1 0 387.261 2.701 20 0 GFADRO CC(C)(CNC(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1)c1ccc(Br)cc1 ZINC000485833910 564627380 /nfs/dbraw/zinc/62/73/80/564627380.db2.gz UVZFGZNDCNUARI-LBPRGKRZSA-N 1 0 391.313 2.957 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C(=O)NC1(C)CC[NH2+]CC1 ZINC000521437647 564627743 /nfs/dbraw/zinc/62/77/43/564627743.db2.gz ACSXKRXEQYKIRC-UHFFFAOYSA-N 1 0 377.286 2.815 20 0 GFADRO CNC(=O)[C@H](C[NH2+]Cc1ccc(Br)cn1)Cc1ccc(F)cc1C ZINC000521434939 564627785 /nfs/dbraw/zinc/62/77/85/564627785.db2.gz HLZRMJUJMXGCOX-AWEZNQCLSA-N 1 0 394.288 2.986 20 0 GFADRO C[C@@H]([NH2+]CCOc1ccc(S(N)(=O)=O)cc1)c1ccc2ncsc2c1 ZINC000485852605 564628364 /nfs/dbraw/zinc/62/83/64/564628364.db2.gz YATWRKXESBCDAL-GFCCVEGCSA-N 1 0 377.491 2.673 20 0 GFADRO C[C@@H](CNC(=O)CNC(=O)c1ccc(Cl)c(Cl)c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000521473465 564628715 /nfs/dbraw/zinc/62/87/15/564628715.db2.gz DJXVWWDAWJMULM-OLZOCXBDSA-N 1 0 386.323 2.960 20 0 GFADRO O[C@@H](C[NH2+][C@@H]1c2ccccc2C[C@@H]1O)COc1cc(F)cc(Br)c1 ZINC000573248816 564630228 /nfs/dbraw/zinc/63/02/28/564630228.db2.gz JOJUBPLOULPLPQ-JCGIZDLHSA-N 1 0 396.256 2.576 20 0 GFADRO Cc1c(Br)cccc1C[C@@H](CO)CNC(=O)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000456726969 564630248 /nfs/dbraw/zinc/63/02/48/564630248.db2.gz RJXDWRRINKVCPA-KDOFPFPSSA-N 1 0 395.341 2.652 20 0 GFADRO Cn1ccnc1CN1CCN(C(=O)CCSc2ccc(Cl)cc2)CC1 ZINC000521579611 564630358 /nfs/dbraw/zinc/63/03/58/564630358.db2.gz STVAWORFSQTERF-UHFFFAOYSA-N 1 0 378.929 2.900 20 0 GFADRO CC[NH+](CC)CC[C@@H](CO)NC(=O)Nc1c(F)cc(Br)cc1F ZINC000550811934 564631454 /nfs/dbraw/zinc/63/14/54/564631454.db2.gz DHEMKSBLVJNDSF-NSHDSACASA-N 1 0 394.260 2.942 20 0 GFADRO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NC[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000485927902 564631919 /nfs/dbraw/zinc/63/19/19/564631919.db2.gz ARMQTMNSIFHUJB-KEYYUXOJSA-N 1 0 380.330 2.589 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]1C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)CC1 ZINC000521624755 564632591 /nfs/dbraw/zinc/63/25/91/564632591.db2.gz JMXKVHSGRCNPEV-CVEARBPZSA-N 1 0 393.336 2.651 20 0 GFADRO CC[NH+]1CCN(CC(C)(C)NC(=O)CCc2cccc(Br)c2)CC1 ZINC000456901671 564638609 /nfs/dbraw/zinc/63/86/09/564638609.db2.gz OZZBHGXFCFTZQD-UHFFFAOYSA-N 1 0 396.373 2.914 20 0 GFADRO CC[NH+]1CCN(CC(C)(C)NC(=O)c2cc(C)sc2Br)CC1 ZINC000456904755 564638715 /nfs/dbraw/zinc/63/87/15/564638715.db2.gz SKMRNNAAQIABCF-UHFFFAOYSA-N 1 0 388.375 2.965 20 0 GFADRO CCC[N@@H+]1CC[C@H](CNC(=O)N(CCO)Cc2cccc(Br)c2)C1 ZINC000486114096 564639874 /nfs/dbraw/zinc/63/98/74/564639874.db2.gz FKLCPGKZJBPMNG-MRXNPFEDSA-N 1 0 398.345 2.685 20 0 GFADRO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)Nc1cc(F)c(I)c(F)c1 ZINC000486120230 564640252 /nfs/dbraw/zinc/64/02/52/564640252.db2.gz MGKFTQSWSHPJIL-VXNVDRBHSA-N 1 0 380.176 2.706 20 0 GFADRO O=S1(=O)CCCN1CC[NH2+][C@@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000521988222 564640884 /nfs/dbraw/zinc/64/08/84/564640884.db2.gz KXLKKCYNILKCAN-JKSUJKDBSA-N 1 0 376.444 2.967 20 0 GFADRO O=C1NC2(CCCC2)C(=O)N1CC[NH2+][C@@H]1CCc2sc(Br)cc21 ZINC000551175482 564641185 /nfs/dbraw/zinc/64/11/85/564641185.db2.gz KMKLGPUCGJUFDO-LLVKDONJSA-N 1 0 398.326 2.952 20 0 GFADRO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)Nc1ccnn1Cc1cccc(Br)c1 ZINC000486186419 564642620 /nfs/dbraw/zinc/64/26/20/564642620.db2.gz BDMUFFJAPQIWMN-IUODEOHRSA-N 1 0 377.286 2.830 20 0 GFADRO COc1cc(C(=O)N(C)[C@H]2C[NH+]3CCC2CC3)cc(OC)c1Br ZINC000522043014 564642629 /nfs/dbraw/zinc/64/26/29/564642629.db2.gz DTWVMAAYJMVHPD-ZDUSSCGKSA-N 1 0 383.286 2.633 20 0 GFADRO CCOC(=O)C[C@H](NC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C)c1ccc(Br)cc1 ZINC000486207569 564643927 /nfs/dbraw/zinc/64/39/27/564643927.db2.gz UVPIUBIBCTYVKW-MAZHCROVSA-N 1 0 397.313 2.757 20 0 GFADRO Cc1c(Br)cc(C[NH2+]CCc2ncn(C)n2)cc1Br ZINC000551238985 564643918 /nfs/dbraw/zinc/64/39/18/564643918.db2.gz XKWISJLNQBOHSN-UHFFFAOYSA-N 1 0 388.107 2.981 20 0 GFADRO C[NH2+]CCCN(C)C(=O)c1cnn(-c2ncccc2Cl)c1C(F)(F)F ZINC000573563279 564644095 /nfs/dbraw/zinc/64/40/95/564644095.db2.gz RUJPJUKDRMEQSO-UHFFFAOYSA-N 1 0 375.782 2.621 20 0 GFADRO OCC1([NH2+]CC2CC2)CCN(Cc2nc3cc(Br)ccc3o2)CC1 ZINC000573568190 564644206 /nfs/dbraw/zinc/64/42/06/564644206.db2.gz SRBCGLSBXJXRJS-UHFFFAOYSA-N 1 0 394.313 2.917 20 0 GFADRO Cc1nccnc1CC[NH2+][C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000551275213 564644783 /nfs/dbraw/zinc/64/47/83/564644783.db2.gz QTZGAASWBCGNNG-OAHLLOKOSA-N 1 0 396.310 2.598 20 0 GFADRO CC1(C)CCC[N@@H+]1CCNC(=O)[C@H]1CC(=O)Nc2ccc(Br)cc21 ZINC000457055587 564645489 /nfs/dbraw/zinc/64/54/89/564645489.db2.gz NDGKIFQUBCEKHY-AWEZNQCLSA-N 1 0 394.313 2.866 20 0 GFADRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)CCCS(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000457094056 564646389 /nfs/dbraw/zinc/64/63/89/564646389.db2.gz OOQLHBIGXNZJCF-INIZCTEOSA-N 1 0 386.945 2.835 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N(C)Cc2ccc(Cl)s2)CC1=O ZINC000522175107 564646531 /nfs/dbraw/zinc/64/65/31/564646531.db2.gz VEUPRDFBVNDMAE-KBPBESRZSA-N 1 0 383.945 2.693 20 0 GFADRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(I)c(F)c2)C1 ZINC000457132234 564649485 /nfs/dbraw/zinc/64/94/85/564649485.db2.gz UNOAICVYUMIQLM-LBPRGKRZSA-N 1 0 390.240 2.985 20 0 GFADRO C[C@@H]1[NH2+]CCN(S(=O)(=O)c2ccc3ccccc3c2Br)[C@H]1C ZINC000573684462 564649836 /nfs/dbraw/zinc/64/98/36/564649836.db2.gz WZUMERAKUMSTHB-RYUDHWBXSA-N 1 0 383.311 2.973 20 0 GFADRO COC(=O)CN(CCc1ccc(Cl)cc1Cl)C(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC000486387706 564650455 /nfs/dbraw/zinc/65/04/55/564650455.db2.gz OUKNFACYHBXXKY-DOMZBBRYSA-N 1 0 387.307 2.735 20 0 GFADRO CSC1(CNS(=O)(=O)c2ccc(Br)cc2)CC[NH+](C)CC1 ZINC000573706604 564650496 /nfs/dbraw/zinc/65/04/96/564650496.db2.gz QKBMXOJEHYFENW-UHFFFAOYSA-N 1 0 393.372 2.555 20 0 GFADRO C[C@@H](CC[NH+](C)C)NC(=O)NC[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000522405170 564651151 /nfs/dbraw/zinc/65/11/51/564651151.db2.gz GWYWPQMSGNPZGJ-GJZGRUSLSA-N 1 0 397.361 2.915 20 0 GFADRO C[C@H]1C[N@H+](C)C[C@H]1C(=O)Nc1cc(Br)cnc1OCC(F)(F)F ZINC000486456534 564652940 /nfs/dbraw/zinc/65/29/40/564652940.db2.gz DNTKKWPEGMFFKR-WCBMZHEXSA-N 1 0 396.207 2.921 20 0 GFADRO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)Nc1cc(Br)cnc1OCC(F)(F)F ZINC000486456532 564653172 /nfs/dbraw/zinc/65/31/72/564653172.db2.gz DNTKKWPEGMFFKR-PSASIEDQSA-N 1 0 396.207 2.921 20 0 GFADRO CN(C(=O)c1c(O)cnc2c(Br)cccc21)[C@@H]1CCC[N@H+](C)C1 ZINC000486480041 564654310 /nfs/dbraw/zinc/65/43/10/564654310.db2.gz PJEREMSFWNACGJ-LLVKDONJSA-N 1 0 378.270 2.869 20 0 GFADRO COC(=O)C[C@H]1CSCCN1Cc1cccc(I)c1 ZINC000551558249 564655209 /nfs/dbraw/zinc/65/52/09/564655209.db2.gz KLZOKOMRPRZLLK-ZDUSSCGKSA-N 1 0 391.274 2.772 20 0 GFADRO CC(=O)NCC[N@H+](Cc1cc2c(cc1Cl)OCCO2)C1CCSCC1 ZINC000573879056 564657897 /nfs/dbraw/zinc/65/78/97/564657897.db2.gz PFDMNLCKLOENGI-UHFFFAOYSA-N 1 0 384.929 2.945 20 0 GFADRO Cc1cc(C[NH3+])cc(NC(=O)CN(C)C(=O)c2ccc(Br)o2)c1 ZINC000457365950 564658924 /nfs/dbraw/zinc/65/89/24/564658924.db2.gz CHDGAKKGBGYHQJ-UHFFFAOYSA-N 1 0 380.242 2.520 20 0 GFADRO CC[NH+]1CCC(NC(=O)NCc2nc3c(cccc3Br)[nH]2)CC1 ZINC000457493224 564663354 /nfs/dbraw/zinc/66/33/54/564663354.db2.gz XJMXFMHDUJSWIU-UHFFFAOYSA-N 1 0 380.290 2.609 20 0 GFADRO C[C@@H](CNC(=O)c1cn(Cc2ccc(Cl)cc2Cl)nn1)[N@H+](C)C1CC1 ZINC000457512172 564663441 /nfs/dbraw/zinc/66/34/41/564663441.db2.gz HLJBNZVZMIEEFN-NSHDSACASA-N 1 0 382.295 2.846 20 0 GFADRO O=C(NCCOc1cccc(Cl)c1Cl)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000574016798 564664559 /nfs/dbraw/zinc/66/45/59/564664559.db2.gz RNOIZPFFBFZPIP-CYBMUJFWSA-N 1 0 390.311 2.518 20 0 GFADRO C[C@@H]1CC[N@H+](C)CCN1C(=O)c1cn(Cc2ccc(Cl)cc2Cl)nn1 ZINC000457593970 564666272 /nfs/dbraw/zinc/66/62/72/564666272.db2.gz YXECYWANXUYDCQ-GFCCVEGCSA-N 1 0 382.295 2.799 20 0 GFADRO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCO[C@@H](c2ccc(Br)cc2)[C@@H]1C ZINC000486805761 564667295 /nfs/dbraw/zinc/66/72/95/564667295.db2.gz YFWDVSNTJPDGHV-OSRSDYAFSA-N 1 0 381.314 2.935 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cnc(Sc2nccn2C)c(Cl)c1 ZINC000523508466 564668468 /nfs/dbraw/zinc/66/84/68/564668468.db2.gz VMPACYLYTABPLJ-CYBMUJFWSA-N 1 0 379.917 2.834 20 0 GFADRO C[C@@H]1[C@H](NC(=O)c2cn(Cc3ccc(Cl)cc3Cl)nn2)CCC[N@@H+]1C ZINC000457712708 564670387 /nfs/dbraw/zinc/67/03/87/564670387.db2.gz OTJZIEXLIRLNTH-IAQYHMDHSA-N 1 0 382.295 2.846 20 0 GFADRO CC[N@H+](CCNC(=O)N(C)CCOc1ccc(Br)cc1)C1CC1 ZINC000523918415 564674211 /nfs/dbraw/zinc/67/42/11/564674211.db2.gz JZNUGTGDLZHBNX-UHFFFAOYSA-N 1 0 384.318 2.954 20 0 GFADRO C[NH+](C)CCOc1cc(C(=O)NCCc2cccc(Br)c2)ccn1 ZINC000457850509 564675461 /nfs/dbraw/zinc/67/54/61/564675461.db2.gz MHHBQVGBAURGMF-UHFFFAOYSA-N 1 0 392.297 2.757 20 0 GFADRO CN(Cc1cc(Br)cs1)C(=O)CN1CC2CCC1(C[NH3+])CC2 ZINC000574464560 564675682 /nfs/dbraw/zinc/67/56/82/564675682.db2.gz MOKWQPNLWFHJEP-UHFFFAOYSA-N 1 0 386.359 2.672 20 0 GFADRO Cn1ncc(Br)c1C[NH2+]C[C@@H](CO)Cc1cc(F)c(F)c(F)c1 ZINC000487195671 564679269 /nfs/dbraw/zinc/67/92/69/564679269.db2.gz BXJIQOYJPXLNQN-JTQLQIEISA-N 1 0 392.219 2.541 20 0 GFADRO COC(=O)c1cc(C[NH2+][C@H]2CCN(c3cccc(Br)c3)C2)c[nH]1 ZINC000487196614 564679401 /nfs/dbraw/zinc/67/94/01/564679401.db2.gz DIGHQYSCCIRRHF-AWEZNQCLSA-N 1 0 378.270 2.932 20 0 GFADRO CC[C@@H]1CN(CC[NH2+]Cc2cc(Br)c3c(c2)OCCCO3)CCO1 ZINC000487209922 564679492 /nfs/dbraw/zinc/67/94/92/564679492.db2.gz XFEUFZDFZLEZHL-OAHLLOKOSA-N 1 0 399.329 2.811 20 0 GFADRO CC[C@H]1CN(CC[NH2+]Cc2cc(Br)c3c(c2)OCCCO3)CCO1 ZINC000487209920 564679511 /nfs/dbraw/zinc/67/95/11/564679511.db2.gz XFEUFZDFZLEZHL-HNNXBMFYSA-N 1 0 399.329 2.811 20 0 GFADRO COCCOC[C@H](O)C[NH2+]CC(C)(C)c1ccc(Br)cc1Cl ZINC000574566456 564679700 /nfs/dbraw/zinc/67/97/00/564679700.db2.gz PBJGGFTYPGWQLR-CYBMUJFWSA-N 1 0 394.737 2.994 20 0 GFADRO COC1CC[NH+](C2(CNCc3c(Br)cnn3C)CCCC2)CC1 ZINC000487293494 564681704 /nfs/dbraw/zinc/68/17/04/564681704.db2.gz CWPOATPNMKSHSE-UHFFFAOYSA-N 1 0 385.350 2.696 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(I)cc1Cl ZINC000524419066 564681813 /nfs/dbraw/zinc/68/18/13/564681813.db2.gz UDWADISYOPBBCM-SNVBAGLBSA-N 1 0 390.652 2.911 20 0 GFADRO C[NH+](C)CCN1CCN(C(=O)CCc2nc3cc(Cl)ccc3s2)CC1 ZINC000524430218 564682066 /nfs/dbraw/zinc/68/20/66/564682066.db2.gz GPQGWOQLDOMGPQ-UHFFFAOYSA-N 1 0 380.945 2.588 20 0 GFADRO CS(=O)(=O)N1CCCC[C@H]1C[NH2+]Cc1ccc(Sc2ccccn2)o1 ZINC000552243584 564682327 /nfs/dbraw/zinc/68/23/27/564682327.db2.gz DWLLWTAHHNYYGO-AWEZNQCLSA-N 1 0 381.523 2.730 20 0 GFADRO Cn1ncc(Br)c1C[NH2+]CCOc1ccc(C(F)(F)F)cn1 ZINC000487306410 564682759 /nfs/dbraw/zinc/68/27/59/564682759.db2.gz WYTLXTPTNHEHMO-UHFFFAOYSA-N 1 0 379.180 2.765 20 0 GFADRO C[C@@H]1CC[N@H+](CCNC(=O)c2cc(-c3ccc(Br)cc3)n[nH]2)C1 ZINC000524775874 564687213 /nfs/dbraw/zinc/68/72/13/564687213.db2.gz XKRMZAQJOZPPFV-GFCCVEGCSA-N 1 0 377.286 2.911 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)N(CCO)Cc2cccc(Br)c2)C1 ZINC000487411734 564687218 /nfs/dbraw/zinc/68/72/18/564687218.db2.gz PRIWTLYPNGJKGJ-IAGOWNOFSA-N 1 0 398.345 2.826 20 0 GFADRO C[C@H]1CC[N@H+](CCNC(=O)c2cc(-c3ccc(Br)cc3)n[nH]2)C1 ZINC000524775875 564687571 /nfs/dbraw/zinc/68/75/71/564687571.db2.gz XKRMZAQJOZPPFV-LBPRGKRZSA-N 1 0 377.286 2.911 20 0 GFADRO CCCN(CC[NH+](C)C)C(=O)[C@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000524824723 564688019 /nfs/dbraw/zinc/68/80/19/564688019.db2.gz GUNUDUCNWWAYHX-AWEZNQCLSA-N 1 0 396.329 2.602 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)C[NH2+]C[C@@H](O)Cc1ccccc1 ZINC000552462400 564692488 /nfs/dbraw/zinc/69/24/88/564692488.db2.gz SIYQGFWXTJFLTO-INIZCTEOSA-N 1 0 377.282 2.889 20 0 GFADRO COCCN(Cc1cc(Br)cs1)C(=O)[C@H]1C[N@H+](C)C[C@@H]1C ZINC000487633649 564692785 /nfs/dbraw/zinc/69/27/85/564692785.db2.gz LRZYWPUGXMFZNA-FZMZJTMJSA-N 1 0 375.332 2.683 20 0 GFADRO COCCC[N@H+](C)CCNC(=O)Cn1c(C)c(Br)c2ccccc21 ZINC000525089868 564693115 /nfs/dbraw/zinc/69/31/15/564693115.db2.gz RBUMSJZQDQKKPS-UHFFFAOYSA-N 1 0 396.329 2.797 20 0 GFADRO CC[N@H+](CCNC(=O)N[C@@H]1CCO[C@H]1c1cncc(Br)c1)C(C)C ZINC000458196389 564693432 /nfs/dbraw/zinc/69/34/32/564693432.db2.gz DXRUXOAVKJYCNL-CVEARBPZSA-N 1 0 399.333 2.704 20 0 GFADRO CCC[C@H]([NH2+]C(C)C)C(=O)NCC(=O)Nc1ccc(Br)cc1C ZINC000487757999 564696053 /nfs/dbraw/zinc/69/60/53/564696053.db2.gz WCDMRMSEEJYVCQ-HNNXBMFYSA-N 1 0 384.318 2.979 20 0 GFADRO CO[C@@H]1CC[C@H]2OCCN(Cc3cn4ccc(Br)cc4n3)[C@H]2C1 ZINC000575325917 564696172 /nfs/dbraw/zinc/69/61/72/564696172.db2.gz FKYUZUXZWHFSTD-OWCLPIDISA-N 1 0 380.286 2.865 20 0 GFADRO C[NH+](C)CCOc1ccc(NC(=O)c2cc[nH]c(=O)c2Br)cc1F ZINC000458292790 564697522 /nfs/dbraw/zinc/69/75/22/564697522.db2.gz OPTGJYYGGCEKOO-UHFFFAOYSA-N 1 0 398.232 2.882 20 0 GFADRO C[C@@H]([NH2+]CCS(=O)(=O)c1cccc(Br)c1)C(C)(C)CN(C)C ZINC000575377383 564697630 /nfs/dbraw/zinc/69/76/30/564697630.db2.gz NOJMTHGLHGEISE-CYBMUJFWSA-N 1 0 391.375 2.789 20 0 GFADRO CCCC[N@H+](C)CCNC(=O)NCc1nc2c(cccc2Br)[nH]1 ZINC000458380015 564700094 /nfs/dbraw/zinc/70/00/94/564700094.db2.gz HLLSJPZFZGTKHZ-UHFFFAOYSA-N 1 0 382.306 2.857 20 0 GFADRO CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)c2[nH]nc(C3CC3)c2Br)CC1 ZINC000575747155 564702836 /nfs/dbraw/zinc/70/28/36/564702836.db2.gz ABKAYECPCBAKQA-OAHLLOKOSA-N 1 0 381.318 2.900 20 0 GFADRO C[C@@H](CC(=O)N(CCO)Cc1cc(Br)ccc1F)n1ccnc1 ZINC000575754402 564703032 /nfs/dbraw/zinc/70/30/32/564703032.db2.gz WROHWRQIBOWUDG-LBPRGKRZSA-N 1 0 384.249 2.757 20 0 GFADRO O=C(NCCNc1cc[nH+]cc1)Nc1ccc(Br)c(C2CC2)n1 ZINC000575761005 564703596 /nfs/dbraw/zinc/70/35/96/564703596.db2.gz MUOVOOQGEFSBPH-UHFFFAOYSA-N 1 0 376.258 2.772 20 0 GFADRO C[C@H]([NH2+]C[C@@H]1CS(=O)(=O)CCO1)c1ccc(SCC(F)(F)F)cc1 ZINC000552930070 564704589 /nfs/dbraw/zinc/70/45/89/564704589.db2.gz MIMUQBVSINQHBT-WCQYABFASA-N 1 0 383.457 2.805 20 0 GFADRO CC(C)[N@H+](C)CC1CCN(S(=O)(=O)c2ccc(Br)cn2)CC1 ZINC000525690024 564705186 /nfs/dbraw/zinc/70/51/86/564705186.db2.gz NGYZNWCSVWIBCV-UHFFFAOYSA-N 1 0 390.347 2.585 20 0 GFADRO C[C@H](O)C[C@@H]1CCCC[N@@H+]1C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000576189280 564706458 /nfs/dbraw/zinc/70/64/58/564706458.db2.gz WYSMRERVOIXJGY-VBNZEHGJSA-N 1 0 390.293 2.953 20 0 GFADRO O=C(Cc1ccc(I)cc1)N1CC[NH+](C2CCCC2)CC1 ZINC000488375562 564711221 /nfs/dbraw/zinc/71/12/21/564711221.db2.gz BMYXGPZODLVBOK-UHFFFAOYSA-N 1 0 398.288 2.921 20 0 GFADRO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCc1ccc(I)c(Cl)c1 ZINC000576344497 564712716 /nfs/dbraw/zinc/71/27/16/564712716.db2.gz SYXFDTFEPKZMCN-GWCFXTLKSA-N 1 0 392.668 2.949 20 0 GFADRO C[NH+](C)C1(CNC(=O)NCc2nc3c(cccc3Br)[nH]2)CCC1 ZINC000458702304 564713345 /nfs/dbraw/zinc/71/33/45/564713345.db2.gz XOFGEPPZYMPHIM-UHFFFAOYSA-N 1 0 380.290 2.609 20 0 GFADRO O=S(=O)(c1cnccc1C(F)(F)F)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000525950978 564713976 /nfs/dbraw/zinc/71/39/76/564713976.db2.gz SHUXAOMKGDLTOS-CYBMUJFWSA-N 1 0 377.432 2.739 20 0 GFADRO Cn1ccnc1[C@@H](NC(=O)CNC(=O)c1ccc(Cl)c(Cl)c1)C1CC1 ZINC000553268689 564714661 /nfs/dbraw/zinc/71/46/61/564714661.db2.gz WMKBQVFHVOMJSW-HNNXBMFYSA-N 1 0 381.263 2.724 20 0 GFADRO CC(C)[N@H+](C)CCCNC(=O)C1(c2cccc(Br)c2)CC(=O)C1 ZINC000576554326 564715465 /nfs/dbraw/zinc/71/54/65/564715465.db2.gz DFOAPQQCOVRPNZ-UHFFFAOYSA-N 1 0 381.314 2.896 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C(=O)NCC[N@H+]1CC=CCC1 ZINC000526027121 564716547 /nfs/dbraw/zinc/71/65/47/564716547.db2.gz ASDLCPSLLRZXCV-UHFFFAOYSA-N 1 0 389.297 2.935 20 0 GFADRO C[C@H]1CN(C(=O)NCCCCn2cc(Br)cn2)CC[N@@H+](C2CC2)C1 ZINC000458755740 564716971 /nfs/dbraw/zinc/71/69/71/564716971.db2.gz WRKWZNXCDYTICJ-CQSZACIVSA-N 1 0 398.349 2.552 20 0 GFADRO CC[C@@H]1C[N@H+](C)CCN1C(=O)Nc1ccnn1-c1ccc(Br)cn1 ZINC000576678871 564717393 /nfs/dbraw/zinc/71/73/93/564717393.db2.gz PYTXXDALLTVYIV-CYBMUJFWSA-N 1 0 393.289 2.588 20 0 GFADRO COC[C@]1(CNC(=O)C2(c3ccc(Br)cc3)CCC2)CCC[NH2+]1 ZINC000576744980 564717923 /nfs/dbraw/zinc/71/79/23/564717923.db2.gz HJJPVTCUYQJLHM-QGZVFWFLSA-N 1 0 381.314 2.756 20 0 GFADRO C[N@H+](CC(=O)N[C@@H]1CCN(c2ccccc2Br)C1)[C@H]1CCSC1 ZINC000488701197 564718398 /nfs/dbraw/zinc/71/83/98/564718398.db2.gz YFRMOIHEFZMFCY-KGLIPLIRSA-N 1 0 398.370 2.581 20 0 GFADRO CCN(CCC[NH+]1CCCC1)C(=O)N[C@H](C)c1ncc(Br)cn1 ZINC000458831192 564719683 /nfs/dbraw/zinc/71/96/83/564719683.db2.gz GSSSGQFYFSWPKS-CYBMUJFWSA-N 1 0 384.322 2.818 20 0 GFADRO CC[NH+]1CCC(N(C)S(=O)(=O)c2c(F)cccc2OC(F)(F)F)CC1 ZINC000553435276 564720800 /nfs/dbraw/zinc/72/08/00/564720800.db2.gz PPGCHAKDEFLZAX-UHFFFAOYSA-N 1 0 384.395 2.829 20 0 GFADRO C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000488854601 564722286 /nfs/dbraw/zinc/72/22/86/564722286.db2.gz NHZDKBZPYZZCHY-KBPBESRZSA-N 1 0 387.307 2.941 20 0 GFADRO CSc1ccc([C@H](CNC(=O)NCC[C@H](O)C(F)(F)F)[NH+](C)C)cc1 ZINC000458902128 564722876 /nfs/dbraw/zinc/72/28/76/564722876.db2.gz SMLGDJCEOFPRAE-KBPBESRZSA-N 1 0 379.448 2.624 20 0 GFADRO COc1nnc(NC(=O)NC[C@H](c2cccs2)[NH+]2CCC(C)CC2)s1 ZINC000577044586 564723329 /nfs/dbraw/zinc/72/33/29/564723329.db2.gz KHYDGSINCBCHBZ-GFCCVEGCSA-N 1 0 381.527 3.203 20 0 GFADRO CCCC[N@H+](C)CCNC(=O)c1cc(F)ccc1I ZINC000488917144 564723667 /nfs/dbraw/zinc/72/36/67/564723667.db2.gz NEHDUNUUDQGBEX-UHFFFAOYSA-N 1 0 378.229 2.892 20 0 GFADRO COc1c(Br)cc(Cl)cc1NC(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000577044689 564723786 /nfs/dbraw/zinc/72/37/86/564723786.db2.gz NQYGTMPRTCWYSP-JTQLQIEISA-N 1 0 392.681 2.611 20 0 GFADRO CCN(CC[NH+]1CCCCCC1)S(=O)(=O)c1ccc(C(F)(F)F)nc1 ZINC000553551128 564726067 /nfs/dbraw/zinc/72/60/67/564726067.db2.gz JVLHWMGGCLECTA-UHFFFAOYSA-N 1 0 379.448 2.987 20 0 GFADRO O=C(NC/C=C\c1ccc(Br)cc1)NC[C@@H]1CCCC[N@H+]1CCO ZINC000458962851 564726666 /nfs/dbraw/zinc/72/66/66/564726666.db2.gz DRBOLUMLAWIUBJ-LIMHQNJXSA-N 1 0 396.329 2.608 20 0 GFADRO O=C(NC/C=C/c1ccc(Br)cc1)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000458965398 564726769 /nfs/dbraw/zinc/72/67/69/564726769.db2.gz GASNOWWKVFKJEC-LAQIPUCWSA-N 1 0 396.329 2.608 20 0 GFADRO C[N@H+](CCO)C1CCN(C(=O)NC/C=C\c2ccc(Br)cc2)CC1 ZINC000458981430 564727669 /nfs/dbraw/zinc/72/76/69/564727669.db2.gz SUDXZDKTEDITLJ-IHWYPQMZSA-N 1 0 396.329 2.560 20 0 GFADRO CC[NH+]1CCC(N(C)S(=O)(=O)c2cccc(OC(F)(F)F)c2F)CC1 ZINC000489077613 564728316 /nfs/dbraw/zinc/72/83/16/564728316.db2.gz GZRMVNMMUOLWBB-UHFFFAOYSA-N 1 0 384.395 2.829 20 0 GFADRO C[NH+](C)C1(CNC(=O)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CCC1 ZINC000527080248 564728709 /nfs/dbraw/zinc/72/87/09/564728709.db2.gz KQAMCXMLNBWHSJ-UHFFFAOYSA-N 1 0 377.794 2.898 20 0 GFADRO CC(C)[N@@H+]1CC[C@H](CNC(=O)Cc2cc3c(cc2Br)OCCO3)C1 ZINC000527135769 564731455 /nfs/dbraw/zinc/73/14/55/564731455.db2.gz GIXKYQXBVZTAFC-CYBMUJFWSA-N 1 0 397.313 2.609 20 0 GFADRO C[NH+](C)CCN(Cc1cnc2ccc(Br)cn12)C[C@@H]1CCCO1 ZINC000577304853 564733678 /nfs/dbraw/zinc/73/36/78/564733678.db2.gz AVILZPXBDLGEMS-INIZCTEOSA-N 1 0 381.318 2.639 20 0 GFADRO Cc1cc(CNC(=O)NC[C@@H](O)C[NH+]2CCC(C)CC2)ccc1Br ZINC000459192415 564735399 /nfs/dbraw/zinc/73/53/99/564735399.db2.gz ZCOSSBGLUOLCLN-MRXNPFEDSA-N 1 0 398.345 2.650 20 0 GFADRO CC[C@@H](CNC(=O)[C@@H]1C[N@@H+]2CCN1CCC2)Cc1cccc(Br)c1 ZINC000489354091 564736966 /nfs/dbraw/zinc/73/69/66/564736966.db2.gz HMKKZPNLAFNFHJ-QAPCUYQASA-N 1 0 394.357 2.524 20 0 GFADRO NC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1CC1=Cc2cc(Br)ccc2OC1 ZINC000527303311 564738069 /nfs/dbraw/zinc/73/80/69/564738069.db2.gz IDKYPTJUVQLMQF-MJEQTWJJSA-N 1 0 377.282 2.811 20 0 GFADRO COc1cc(OC)c(NC(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)cc1Br ZINC000578047994 564740174 /nfs/dbraw/zinc/74/01/74/564740174.db2.gz KNADQUJGEVLGJF-LLVKDONJSA-N 1 0 384.274 2.825 20 0 GFADRO [NH3+]C[C@@H]1CCCC[C@@]12NC(=O)N(Cc1csc(-c3ccsc3)n1)C2=O ZINC000578068341 564740258 /nfs/dbraw/zinc/74/02/58/564740258.db2.gz ZVKWERFFZJPLBA-YVEFUNNKSA-N 1 0 376.507 2.811 20 0 GFADRO COc1cc(OC)c(NC(=O)N(C2CC2)[C@H]2CC[NH2+]C2)cc1Br ZINC000578047995 564740290 /nfs/dbraw/zinc/74/02/90/564740290.db2.gz KNADQUJGEVLGJF-NSHDSACASA-N 1 0 384.274 2.825 20 0 GFADRO C[C@@H]1NC(=O)N(CC[NH2+]C2(c3ccc(Br)cc3)CCCC2)C1=O ZINC000459347659 564741127 /nfs/dbraw/zinc/74/11/27/564741127.db2.gz GLNAPYVOCPNQSN-LBPRGKRZSA-N 1 0 380.286 2.748 20 0 GFADRO Oc1cccc(CNC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)c1Br ZINC000459372234 564741205 /nfs/dbraw/zinc/74/12/05/564741205.db2.gz UKYBJAASFMZKMB-QGZVFWFLSA-N 1 0 391.309 2.664 20 0 GFADRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(S(=O)(=O)N(C)C(C)C)cc2)[C@H]1SC ZINC000459401896 564742152 /nfs/dbraw/zinc/74/21/52/564742152.db2.gz YSIHISCSZLRSJN-RCCFBDPRSA-N 1 0 386.583 2.714 20 0 GFADRO CCOc1cc(C[NH2+]C[C@H]2CCCN2CCOC)cc(Br)c1O ZINC000459401935 564742221 /nfs/dbraw/zinc/74/22/21/564742221.db2.gz JJTPYVOFVDJDQQ-CQSZACIVSA-N 1 0 387.318 2.754 20 0 GFADRO CCO[C@@H]1C[C@H]([NH2+]C[C@@H](O)COc2ccc(C(F)(F)F)cc2)[C@@H]1SC ZINC000459399495 564742335 /nfs/dbraw/zinc/74/23/35/564742335.db2.gz VACINPDCHRKIPL-BVUBDWEXSA-N 1 0 379.444 2.944 20 0 GFADRO CCO[C@@H]1C[C@H]([NH2+]CCS(=O)(=O)N(CC)CC)[C@H]1Sc1ccccc1 ZINC000459419180 564743568 /nfs/dbraw/zinc/74/35/68/564743568.db2.gz BDKMEGZBSVGDIQ-RCCFBDPRSA-N 1 0 386.583 2.586 20 0 GFADRO C[C@@H]1C[C@@H](N(C)S(=O)(=O)c2cccc(OC(F)(F)F)c2F)CC[N@@H+]1C ZINC000489607188 564745542 /nfs/dbraw/zinc/74/55/42/564745542.db2.gz FNVWHZFZROVBPL-MNOVXSKESA-N 1 0 384.395 2.828 20 0 GFADRO CCOc1cc(C[NH2+]CCN2CCSCC2)cc(Br)c1O ZINC000459462895 564745734 /nfs/dbraw/zinc/74/57/34/564745734.db2.gz KJFBWJKEFBPQHV-UHFFFAOYSA-N 1 0 375.332 2.692 20 0 GFADRO CC[NH+]1C[C@H](C)N(C[C@@H](O)COc2cc(F)cc(Br)c2)[C@@H](C)C1 ZINC000459466761 564746334 /nfs/dbraw/zinc/74/63/34/564746334.db2.gz RECIZWHGCZJDMO-HEHGZKQESA-N 1 0 389.309 2.742 20 0 GFADRO Cc1cc2c(o1)c(C(=O)NC[C@]1(O)C[NH+]3CCC1CC3)ccc2Br ZINC000579256797 564746554 /nfs/dbraw/zinc/74/65/54/564746554.db2.gz GNBHULXDHBDOOY-SFHVURJKSA-N 1 0 393.281 2.690 20 0 GFADRO Cc1cc(CC(C)(C)[NH2+]CCN2C(=O)N[C@@H](C)C2=O)ccc1Br ZINC000459492963 564747435 /nfs/dbraw/zinc/74/74/35/564747435.db2.gz OISQBBIXGJXMLU-LBPRGKRZSA-N 1 0 382.302 2.609 20 0 GFADRO [NH3+]C[C@H]1CCCCN1C(=O)c1ncc(Br)cc1Br ZINC000579343318 564747495 /nfs/dbraw/zinc/74/74/95/564747495.db2.gz OIDHHDWBUULBAA-SECBINFHSA-N 1 0 377.080 2.560 20 0 GFADRO CN(C)S(=O)(=O)NCC[NH2+][C@@H]1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000459543208 564750299 /nfs/dbraw/zinc/75/02/99/564750299.db2.gz XKQVXELJEWRGFC-IUODEOHRSA-N 1 0 380.341 2.615 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)c(C)c1C(=O)N[C@@H](C)C[NH+](C)C ZINC000554137314 564751260 /nfs/dbraw/zinc/75/12/60/564751260.db2.gz YHCPUIXJPWJFDL-NSHDSACASA-N 1 0 379.302 2.932 20 0 GFADRO C[C@@H]1CN(c2ccccc2CNCc2nn(C)cc2Br)CCO1 ZINC000459583059 564751526 /nfs/dbraw/zinc/75/15/26/564751526.db2.gz SBGCNWGQWLWWLG-CYBMUJFWSA-N 1 0 379.302 2.698 20 0 GFADRO O=C([C@H]1CCn2ccnc2C1)N1CCc2ccc(F)c(Br)c2C1 ZINC000527628264 564752407 /nfs/dbraw/zinc/75/24/07/564752407.db2.gz NBMAJIVFKGNEOJ-LBPRGKRZSA-N 1 0 378.245 2.932 20 0 GFADRO CON1CCC([N@H+](C)CC(=O)Nc2c(F)cc(F)cc2Br)CC1 ZINC000459594492 564752499 /nfs/dbraw/zinc/75/24/99/564752499.db2.gz YXNACRFZXMGQFG-UHFFFAOYSA-N 1 0 392.244 2.623 20 0 GFADRO CS(=O)(=O)N[C@H]1CCC[C@H]1C[NH2+]Cc1ccc(Br)c(F)c1F ZINC000527672308 564754272 /nfs/dbraw/zinc/75/42/72/564754272.db2.gz HKVLYPFCYIVACQ-CABZTGNLSA-N 1 0 397.285 2.535 20 0 GFADRO Cc1nn(C)c(C)c1C[NH2+]C[C@H](CO)Cc1cc(F)cc(Br)c1 ZINC000459690916 564756722 /nfs/dbraw/zinc/75/67/22/564756722.db2.gz FXXMBRVNYNHOAA-CQSZACIVSA-N 1 0 384.293 2.879 20 0 GFADRO O[C@@H](C[NH2+]Cc1ccc(-c2ccc(Br)cc2)s1)Cn1ccnn1 ZINC000459689355 564756934 /nfs/dbraw/zinc/75/69/34/564756934.db2.gz DIKNRURVMGXLFJ-AWEZNQCLSA-N 1 0 393.310 2.920 20 0 GFADRO OCCCN1CCC[C@H]([NH2+]Cc2c[nH]nc2-c2ccc(Br)s2)C1 ZINC000527713881 564757637 /nfs/dbraw/zinc/75/76/37/564757637.db2.gz OXNIZQAAJBDUCG-ZDUSSCGKSA-N 1 0 399.358 2.837 20 0 GFADRO COc1ccc(Br)c(CNC(=O)[C@@H]2Cc3ccccc3C[NH2+]2)c1 ZINC000489975793 564758173 /nfs/dbraw/zinc/75/81/73/564758173.db2.gz CBUZEOARQGWCBC-KRWDZBQOSA-N 1 0 375.266 2.788 20 0 GFADRO C[C@@H](Oc1ccccc1Br)C(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000489966189 564758264 /nfs/dbraw/zinc/75/82/64/564758264.db2.gz OSJNQDGZUOJKTQ-CQSZACIVSA-N 1 0 399.329 2.786 20 0 GFADRO CCn1nncc1C[NH2+]C1CCN(Cc2ccccc2Br)CC1 ZINC000527725968 564758320 /nfs/dbraw/zinc/75/83/20/564758320.db2.gz ITRSRDZVDUQGCW-UHFFFAOYSA-N 1 0 378.318 2.815 20 0 GFADRO c1csc(-c2nc(C[NH2+]CC3(N4CCOCC4)CCOCC3)cs2)c1 ZINC000459720471 564759016 /nfs/dbraw/zinc/75/90/16/564759016.db2.gz UZVZXXXYDUJILS-UHFFFAOYSA-N 1 0 379.551 2.843 20 0 GFADRO O=S(=O)(c1cccc(Br)c1Cl)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000489981381 564759394 /nfs/dbraw/zinc/75/93/94/564759394.db2.gz URDPPLDZYWNFNP-AWEZNQCLSA-N 1 0 393.734 2.867 20 0 GFADRO O[C@H](C[NH2+]C1CCN(Cc2ccccc2Br)CC1)[C@@H]1CCCO1 ZINC000527759328 564759380 /nfs/dbraw/zinc/75/93/80/564759380.db2.gz SVIYIAZIKCBXRC-MSOLQXFVSA-N 1 0 383.330 2.543 20 0 GFADRO O[C@H](C[NH2+][C@H]1CCCc2cn[nH]c21)COc1cc(F)cc(Br)c1 ZINC000580543539 564763035 /nfs/dbraw/zinc/76/30/35/564763035.db2.gz HNSHWTPNGRKKTO-HIFRSBDPSA-N 1 0 384.249 2.718 20 0 GFADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)Nc1ccc(OC(F)(F)F)c(Cl)c1 ZINC000580548875 564763923 /nfs/dbraw/zinc/76/39/23/564763923.db2.gz PSNJVXWCVVAISS-NSHDSACASA-N 1 0 380.798 2.606 20 0 GFADRO C[C@@H]([NH2+]C[C@]1(CO)COCC2(CCC2)N1C)c1sccc1Br ZINC000527945839 564765299 /nfs/dbraw/zinc/76/52/99/564765299.db2.gz FSMUEXQIRCUUIU-WBMJQRKESA-N 1 0 389.359 2.777 20 0 GFADRO CN(CC(=O)Nc1ccc(Br)cn1)C(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000554550173 564765404 /nfs/dbraw/zinc/76/54/04/564765404.db2.gz FHESIANKHMEMRW-AWEZNQCLSA-N 1 0 397.317 2.506 20 0 GFADRO O=C(Nc1cc(Br)cc(C(=O)N2CCCC2)c1)N1CCC[NH2+]CC1 ZINC000580629855 564767860 /nfs/dbraw/zinc/76/78/60/564767860.db2.gz HILCSHKGIPKQTG-UHFFFAOYSA-N 1 0 395.301 2.512 20 0 GFADRO O=S(=O)(NC[C@H]1CCCN(Cc2nc3ccc(F)cc3s2)C1)C1CC1 ZINC000580638333 564767934 /nfs/dbraw/zinc/76/79/34/564767934.db2.gz SAVZCKQQJUFOOY-GFCCVEGCSA-N 1 0 383.514 2.729 20 0 GFADRO CC(C)[C@@H]1C[NH2+]CCN1S(=O)(=O)c1cc(Br)sc1Cl ZINC000528047255 564768068 /nfs/dbraw/zinc/76/80/68/564768068.db2.gz DHIUEQONHMBJEI-QMMMGPOBSA-N 1 0 387.752 2.783 20 0 GFADRO C[C@H](CC[NH+](C)C)NC(=O)CSc1nnc(-c2cccs2)n1C1CC1 ZINC000490398597 564769758 /nfs/dbraw/zinc/76/97/58/564769758.db2.gz IFASRCGYDCJWGG-GFCCVEGCSA-N 1 0 379.555 2.890 20 0 GFADRO CCOC(=O)CC[C@@H](O)C[NH2+][C@H](C)Cc1ccc(F)c(Br)c1 ZINC000580710015 564770245 /nfs/dbraw/zinc/77/02/45/564770245.db2.gz RUTCVRFBGMBCDC-DGCLKSJQSA-N 1 0 376.266 2.813 20 0 GFADRO C[C@H]1CN(S(=O)(=O)c2c(F)c(F)cc(F)c2F)CC[N@@H+](C2CCC2)C1 ZINC000490436162 564770692 /nfs/dbraw/zinc/77/06/92/564770692.db2.gz DYXGMKHTHAVEIS-SNVBAGLBSA-N 1 0 380.407 2.738 20 0 GFADRO C[N@H+](CCOCC(F)(F)C(F)(F)F)CCn1cc(Br)cn1 ZINC000554749829 564772695 /nfs/dbraw/zinc/77/26/95/564772695.db2.gz XWVSIDWOOAANKE-UHFFFAOYSA-N 1 0 380.155 2.792 20 0 GFADRO CO[C@H](C[N@@H+]1CCC[C@H](CNS(=O)(=O)C2CC2)C1)c1ccc(Cl)cc1 ZINC000554744315 564772807 /nfs/dbraw/zinc/77/28/07/564772807.db2.gz ZSDPXVPBCHILBP-RDTXWAMCSA-N 1 0 386.945 2.821 20 0 GFADRO CS[C@H]1CN(CC(=O)Nc2ccc(Br)cc2)C[C@@H]1[NH+]1CCCC1 ZINC000460348146 564774180 /nfs/dbraw/zinc/77/41/80/564774180.db2.gz OKPAKQZCWMVMHO-HOTGVXAUSA-N 1 0 398.370 2.899 20 0 GFADRO CS[C@@H]1CN(Cc2cn(-c3ccc(Cl)cc3)nn2)C[C@H]1[NH+]1CCCC1 ZINC000460359781 564775005 /nfs/dbraw/zinc/77/50/05/564775005.db2.gz BUWZOTNLAJRGCN-QZTJIDSGSA-N 1 0 377.945 2.932 20 0 GFADRO CS[C@H]1CN(CC(=O)Nc2nc3ccccc3s2)C[C@@H]1[NH+]1CCCC1 ZINC000460359674 564775176 /nfs/dbraw/zinc/77/51/76/564775176.db2.gz OUEZXSPJGUDSBG-HOCLYGCPSA-N 1 0 376.551 2.746 20 0 GFADRO COC(=O)[C@@H](NC(=O)C[NH2+]C(C)(C)c1ccc(Br)c(C)c1)C(C)C ZINC000554958404 564779099 /nfs/dbraw/zinc/77/90/99/564779099.db2.gz FYSSOYLRSZWJKD-INIZCTEOSA-N 1 0 399.329 2.896 20 0 GFADRO COc1ccc(Br)cc1CC(=O)NCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000460679680 564779303 /nfs/dbraw/zinc/77/93/03/564779303.db2.gz VWQQJFYYLWUUHK-KBPBESRZSA-N 1 0 399.329 2.616 20 0 GFADRO O=C(Nc1ccc(Cl)cc1Cl)N1CC[NH+]([C@H]2CCNC(=O)CC2)CC1 ZINC000580935334 564780731 /nfs/dbraw/zinc/78/07/31/564780731.db2.gz XFXXVZBBGNGBPB-CYBMUJFWSA-N 1 0 385.295 2.812 20 0 GFADRO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CC=C(c2ccc(Cl)c(Cl)c2)CC1 ZINC000580952716 564781225 /nfs/dbraw/zinc/78/12/25/564781225.db2.gz QNHXNNNIZRUILL-RYUDHWBXSA-N 1 0 384.307 2.851 20 0 GFADRO CN(C)S(=O)(=O)c1cc(Cl)ccc1OCc1ccc2c(c1)C[NH2+]CC2 ZINC000580958252 564781439 /nfs/dbraw/zinc/78/14/39/564781439.db2.gz YSBPLWGRQANNHC-UHFFFAOYSA-N 1 0 380.897 2.815 20 0 GFADRO Fc1c(Br)ccc(CN2CC[C@H](C[NH+]3CCOCC3)C2)c1F ZINC000528390241 564782329 /nfs/dbraw/zinc/78/23/29/564782329.db2.gz OHVBLPRLFHPRKQ-GFCCVEGCSA-N 1 0 375.257 2.881 20 0 GFADRO O=S(=O)(Cc1ccc(Br)cc1)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000581072204 564786870 /nfs/dbraw/zinc/78/68/70/564786870.db2.gz TUGIWXAFMGVGBP-GJZGRUSLSA-N 1 0 387.343 2.600 20 0 GFADRO C[C@@H](NC(=O)c1cccs1)C(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000555230236 564787204 /nfs/dbraw/zinc/78/72/04/564787204.db2.gz XOCCSIQHFUAGCH-DOMZBBRYSA-N 1 0 379.913 2.939 20 0 GFADRO Cc1ncc(S(=O)(=O)N2CCN(Cc3ccccc3)[C@H](C(C)C)C2)s1 ZINC000528485508 564788564 /nfs/dbraw/zinc/78/85/64/564788564.db2.gz CBTHULNCRQGAME-KRWDZBQOSA-N 1 0 379.551 2.983 20 0 GFADRO Nc1nc(-n2cccn2)cc(N2CC[C@H](Cc3ccc(Br)cc3)C2)[nH+]1 ZINC000581109037 564788840 /nfs/dbraw/zinc/78/88/40/564788840.db2.gz GRSPNDNAKQWKRW-CQSZACIVSA-N 1 0 399.296 2.906 20 0 GFADRO C[C@H]1C[N@H+](CCCNS(=O)(=O)Cc2ccc(C(F)F)cc2)CCCO1 ZINC000555343179 564791086 /nfs/dbraw/zinc/79/10/86/564791086.db2.gz UMSAAVYRTQTWGZ-AWEZNQCLSA-N 1 0 376.469 2.545 20 0 GFADRO C[N@H+](CCNC(=O)NCc1cc(Br)ccc1OC(F)F)C1CC1 ZINC000491790694 564795643 /nfs/dbraw/zinc/79/56/43/564795643.db2.gz RNNCISKOFUAJCY-UHFFFAOYSA-N 1 0 392.244 2.944 20 0 GFADRO CC[C@@H](C(=O)N(C)[C@H](C(N)=O)c1cccc(Br)c1)[NH+](CC)CC ZINC000461491629 564798821 /nfs/dbraw/zinc/79/88/21/564798821.db2.gz WKNAJIODUUHELH-GJZGRUSLSA-N 1 0 384.318 2.554 20 0 GFADRO CS(=O)(=O)N1CCCC[C@H]1C[NH2+][C@@H]1CCc2ccc(Br)cc21 ZINC000581361263 564799139 /nfs/dbraw/zinc/79/91/39/564799139.db2.gz RJNWPQRQJCGQMQ-GOEBONIOSA-N 1 0 387.343 2.840 20 0 GFADRO CC[NH+]1CCC(NC(=O)C(=O)N[C@H](C)c2cc(F)c(Cl)cc2Cl)CC1 ZINC000555694250 564802122 /nfs/dbraw/zinc/80/21/22/564802122.db2.gz RHLPDJUMNCJIAO-SNVBAGLBSA-N 1 0 390.286 2.910 20 0 GFADRO CC(C)[C@]1(CO)CCC[N@H+](C[C@H](O)COc2ccc(Br)cc2)C1 ZINC000555712725 564802229 /nfs/dbraw/zinc/80/22/29/564802229.db2.gz WILUDIVEVZHZHP-FUHWJXTLSA-N 1 0 386.330 2.919 20 0 GFADRO C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)Nc1ccc(Br)c(Cl)c1Cl ZINC000581429444 564802478 /nfs/dbraw/zinc/80/24/78/564802478.db2.gz MCVOHFFBTUVVJL-RQJHMYQMSA-N 1 0 397.100 2.936 20 0 GFADRO CCS(=O)(=O)NCC[NH+]1CCC(c2ccc(OC(F)(F)F)cc2)CC1 ZINC000555728625 564803061 /nfs/dbraw/zinc/80/30/61/564803061.db2.gz ZYCIFZDSMWYKPF-UHFFFAOYSA-N 1 0 380.432 2.704 20 0 GFADRO CCCC[C@@H]1CCC[C@H]1[NH2+]CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl ZINC000492870881 564804750 /nfs/dbraw/zinc/80/47/50/564804750.db2.gz HSZAVECEDCOHNB-IUODEOHRSA-N 1 0 387.933 2.874 20 0 GFADRO C[NH+](C)C1CCN(c2ccc(NC(=O)[C@H]3C[C@@]3(C)Br)nc2)CC1 ZINC000528837682 564807091 /nfs/dbraw/zinc/80/70/91/564807091.db2.gz AUGMVVHRSKEIJK-RHSMWYFYSA-N 1 0 381.318 2.724 20 0 GFADRO CSC1(CNC(=O)NCCc2cc(F)c(F)c(F)c2)CC[NH+](C)CC1 ZINC000581553972 564808236 /nfs/dbraw/zinc/80/82/36/564808236.db2.gz MRRROSPXHVCUQX-UHFFFAOYSA-N 1 0 375.460 2.773 20 0 GFADRO C[C@H]1CN(C(=O)c2ccsc2C(F)(F)F)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000528934484 564809987 /nfs/dbraw/zinc/80/99/87/564809987.db2.gz WZJKUKQRJBCURW-GXTWGEPZSA-N 1 0 375.460 2.865 20 0 GFADRO CC[NH+]1CCN(CC(=O)N(Cc2cccc(Br)c2)C2CC2)CC1 ZINC000461991890 564811035 /nfs/dbraw/zinc/81/10/35/564811035.db2.gz ZWRQWZMNQDXOQS-UHFFFAOYSA-N 1 0 380.330 2.578 20 0 GFADRO C[N@@H+]1CC[C@@H]2CCN(S(=O)(=O)c3cccc(Cl)c3Br)[C@H]2C1 ZINC000493881064 564812146 /nfs/dbraw/zinc/81/21/46/564812146.db2.gz CIMVYNBOWRCHCN-PWSUYJOCSA-N 1 0 393.734 2.817 20 0 GFADRO COCC[N@H+](C)CCNC(=O)C[C@@H](C)c1ccc(F)c(Br)c1 ZINC000462039145 564812474 /nfs/dbraw/zinc/81/24/74/564812474.db2.gz YDRGZQVZZGEBFT-GFCCVEGCSA-N 1 0 375.282 2.776 20 0 GFADRO CC(C)[C@H]([NH2+][C@H]1CCc2sc(Br)cc21)C(=O)N1CCOCC1 ZINC000556104354 564813253 /nfs/dbraw/zinc/81/32/53/564813253.db2.gz TYFCPXARKRVXKL-WFASDCNBSA-N 1 0 387.343 2.971 20 0 GFADRO CC[NH+]1CCN([C@H]2CCN(C(=O)N[C@H]3CCc4sc(Cl)cc43)C2)CC1 ZINC000462059113 564814306 /nfs/dbraw/zinc/81/43/06/564814306.db2.gz IMBSNRQTMJQHJE-ZFWWWQNUSA-N 1 0 382.961 2.810 20 0 GFADRO C[C@H]1CN(C(=O)c2cccc(F)c2Br)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000494131436 564817880 /nfs/dbraw/zinc/81/78/80/564817880.db2.gz SKYCPOZCJMXBSS-BBRMVZONSA-N 1 0 398.320 2.686 20 0 GFADRO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000556364043 564820700 /nfs/dbraw/zinc/82/07/00/564820700.db2.gz SAQDNNJQINDOJO-HOTGVXAUSA-N 1 0 384.307 2.695 20 0 GFADRO C[N@H+](CCCN1C(=O)NC(C)(C)C1=O)Cc1ccc(Br)c(F)c1 ZINC000494263056 564820975 /nfs/dbraw/zinc/82/09/75/564820975.db2.gz UZCORVAFBPDHTB-UHFFFAOYSA-N 1 0 386.265 2.741 20 0 GFADRO O=C1CC[C@@H]([NH2+]Cc2cn(-c3cccc(Cl)c3Cl)nn2)[C@@H](C2CC2)N1 ZINC000556428872 564825438 /nfs/dbraw/zinc/82/54/38/564825438.db2.gz BIQPSWJUGBVBCY-CXAGYDPISA-N 1 0 380.279 2.721 20 0 GFADRO O=C(N[C@H]1CCN(c2cccc(Br)c2)C1)N1CC[NH+]2CCC1CC2 ZINC000556447052 564826084 /nfs/dbraw/zinc/82/60/84/564826084.db2.gz WYMNZXVYNPEXOB-HNNXBMFYSA-N 1 0 393.329 2.517 20 0 GFADRO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NCc2cc(Br)cc3c2OCC3)C1 ZINC000462199032 564826683 /nfs/dbraw/zinc/82/66/83/564826683.db2.gz KQPSCKKXRGCBPJ-WBMJQRKESA-N 1 0 396.329 2.912 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)Nc2ccc(I)cc2F)C1 ZINC000582014178 564826904 /nfs/dbraw/zinc/82/69/04/564826904.db2.gz JSFWSNYGILIIIW-RKDXNWHRSA-N 1 0 377.201 2.631 20 0 GFADRO CC(C)[NH+]1CCC(O)(CNC(=O)[C@H](C)c2cccc(Br)c2)CC1 ZINC000462228946 564828239 /nfs/dbraw/zinc/82/82/39/564828239.db2.gz BXRWGKLUGASALO-CQSZACIVSA-N 1 0 383.330 2.904 20 0 GFADRO CCNC(=O)C[C@H]1CCCC[N@@H+]1C[C@H](O)COc1ccc(Br)cc1 ZINC000556517405 564828985 /nfs/dbraw/zinc/82/89/85/564828985.db2.gz BJYSIRXPYMZRMV-CVEARBPZSA-N 1 0 399.329 2.570 20 0 GFADRO C[NH+](C)C1(CNS(=O)(=O)c2cccc(Cl)c2Br)CCC1 ZINC000494421355 564829475 /nfs/dbraw/zinc/82/94/75/564829475.db2.gz YMLOGIYSESQIQM-UHFFFAOYSA-N 1 0 381.723 2.865 20 0 GFADRO C[C@H](NC(=O)C[NH2+][C@@H](CO)C1CCOCC1)c1ccc(Cl)cc1Cl ZINC000582082515 564830662 /nfs/dbraw/zinc/83/06/62/564830662.db2.gz MXVXXKXFZQSKOR-ZBEGNZNMSA-N 1 0 375.296 2.548 20 0 GFADRO CC1(C)CC[C@@H]1[NH2+]C[C@H](O)COc1ccc(I)cc1 ZINC000556584028 564830790 /nfs/dbraw/zinc/83/07/90/564830790.db2.gz NQQHBAUHKRIUQW-JSGCOSHPSA-N 1 0 375.250 2.809 20 0 GFADRO COc1ccc([C@H](C[NH+](C)C)NC(=O)c2cc(Br)cn2C)cc1 ZINC000556587383 564831433 /nfs/dbraw/zinc/83/14/33/564831433.db2.gz XQOAMZKYQHKQFX-HNNXBMFYSA-N 1 0 380.286 2.829 20 0 GFADRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)NCc3ccc(Br)c(F)c3F)C[C@H]21 ZINC000529369051 564832032 /nfs/dbraw/zinc/83/20/32/564832032.db2.gz GEQJRNMCJDVKQZ-DMDPSCGWSA-N 1 0 388.256 2.996 20 0 GFADRO Cn1c(C[NH2+]C[C@@H](O)COc2cccc(Br)c2)nc2ccccc21 ZINC000582176181 564834239 /nfs/dbraw/zinc/83/42/39/564834239.db2.gz GHRQJDJZNZYHFK-CQSZACIVSA-N 1 0 390.281 2.865 20 0 GFADRO CCOC(=O)c1cc(C)sc1NC(=O)C[NH2+][C@H](CO)c1sccc1C ZINC000494632484 564836456 /nfs/dbraw/zinc/83/64/56/564836456.db2.gz DQBZFOCVFFQBOX-CYBMUJFWSA-N 1 0 382.507 2.865 20 0 GFADRO C[C@H]1CN(C2CC2)C[C@H]1[NH2+]CCC(=O)N(C)Cc1ccccc1Br ZINC000494680267 564837256 /nfs/dbraw/zinc/83/72/56/564837256.db2.gz MYDXNGITEWBAPS-KBXCAEBGSA-N 1 0 394.357 2.870 20 0 GFADRO C[C@H]1CN(C2CC2)C[C@@H]1[NH2+]CCCNC(=O)c1ccc(Br)cc1 ZINC000494698282 564837409 /nfs/dbraw/zinc/83/74/09/564837409.db2.gz UXJBXHHUQPBMET-GUYCJALGSA-N 1 0 380.330 2.641 20 0 GFADRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)NCc1nc2c(cccc2Br)[nH]1 ZINC000556766566 564838969 /nfs/dbraw/zinc/83/89/69/564838969.db2.gz JFUXJZURPCYLHY-GFCCVEGCSA-N 1 0 394.317 2.809 20 0 GFADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)c1 ZINC000462440106 564840178 /nfs/dbraw/zinc/84/01/78/564840178.db2.gz JHJPXASYEMXJMF-QWHCGFSZSA-N 1 0 388.917 2.525 20 0 GFADRO OC[C@@H]([NH2+]Cc1ccnc(-c2ccc(Br)cc2)n1)[C@@H]1CCCOC1 ZINC000556816662 564841668 /nfs/dbraw/zinc/84/16/68/564841668.db2.gz SMEBRMQYVKOBHO-RHSMWYFYSA-N 1 0 392.297 2.783 20 0 GFADRO C[C@H](CC(=O)N1CCN(CCO)[C@@H](C)C1)c1ccc(F)c(Br)c1 ZINC000462484111 564842498 /nfs/dbraw/zinc/84/24/98/564842498.db2.gz IKUIJXFXMWSPHF-OLZOCXBDSA-N 1 0 387.293 2.607 20 0 GFADRO Cc1cc(Br)cc(C)c1S(=O)(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000462496665 564843829 /nfs/dbraw/zinc/84/38/29/564843829.db2.gz SGKNNPXTSFHYBE-GXTWGEPZSA-N 1 0 375.332 2.827 20 0 GFADRO Cc1c(S(=O)(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)cnn1-c1ccc(Cl)cc1 ZINC000462502520 564844518 /nfs/dbraw/zinc/84/45/18/564844518.db2.gz NRBHWGHDFFZGAW-WFASDCNBSA-N 1 0 382.917 2.595 20 0 GFADRO O[C@H](COc1ccc(Br)cc1)C[N@@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000495015114 564845455 /nfs/dbraw/zinc/84/54/55/564845455.db2.gz DZHFNVZUBOFSLP-ZFWWWQNUSA-N 1 0 380.286 2.792 20 0 GFADRO COC(=O)c1cccc(NC(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)c1Br ZINC000495007218 564845483 /nfs/dbraw/zinc/84/54/83/564845483.db2.gz OIEQNVNGVYUGQB-GHMZBOCLSA-N 1 0 384.274 2.840 20 0 GFADRO Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[NH2+][C@H]1CCS(=O)(=O)[C@H]1C ZINC000556908333 564845683 /nfs/dbraw/zinc/84/56/83/564845683.db2.gz MHSAGDSJBLAOHJ-KSSFIOAISA-N 1 0 381.929 2.867 20 0 GFADRO C[C@@](O)(C[NH2+]C[C@H](CO)Cc1ccc(OC(F)(F)F)cc1)C(F)(F)F ZINC000582421106 564846428 /nfs/dbraw/zinc/84/64/28/564846428.db2.gz WXROOGAKLZWPGD-DGCLKSJQSA-N 1 0 375.309 2.639 20 0 GFADRO CN(CCn1cc(Br)cn1)C(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000582446034 564847488 /nfs/dbraw/zinc/84/74/88/564847488.db2.gz WKBYTKMKQMBFNI-QGZVFWFLSA-N 1 0 391.313 2.769 20 0 GFADRO COC(=O)c1cccc(NC(=O)N2CC[NH+](C3CCC3)CC2)c1Br ZINC000495045332 564847862 /nfs/dbraw/zinc/84/78/62/564847862.db2.gz DWYVCBTZSQFXRP-UHFFFAOYSA-N 1 0 396.285 2.938 20 0 GFADRO C[C@@H](O)C[N@H+](C)C1CCN(C(=O)[C@@H](C)c2cccc(Br)c2)CC1 ZINC000462557097 564848381 /nfs/dbraw/zinc/84/83/81/564848381.db2.gz XOJXFFGALUOVSQ-KGLIPLIRSA-N 1 0 383.330 2.856 20 0 GFADRO C[C@H](NC(=O)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1)c1ccc(Br)cc1 ZINC000557014395 564850838 /nfs/dbraw/zinc/85/08/38/564850838.db2.gz JQUIMYAOZLCENC-VBNZEHGJSA-N 1 0 396.329 2.615 20 0 GFADRO Cc1c2cc(Cl)ccc2sc1CNC(=O)C(=O)N[C@H](C)CC[NH+](C)C ZINC000557024756 564851818 /nfs/dbraw/zinc/85/18/18/564851818.db2.gz HZTJRRBNNVAPIU-LLVKDONJSA-N 1 0 381.929 2.936 20 0 GFADRO COc1ccc(Br)c(CN2CCC(CO)([NH2+]CC3CC3)CC2)c1 ZINC000582550751 564852207 /nfs/dbraw/zinc/85/22/07/564852207.db2.gz XHBLWTUKELPWJM-UHFFFAOYSA-N 1 0 383.330 2.784 20 0 GFADRO Cc1nn(C)c(C[NH2+]C[C@@H](c2nnc[nH]2)c2ccccc2)c1Br ZINC000582586813 564852651 /nfs/dbraw/zinc/85/26/51/564852651.db2.gz WOGFVAGBWXIPQY-CYBMUJFWSA-N 1 0 375.274 2.531 20 0 GFADRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)Cc1ccc(I)cc1 ZINC000557117054 564854188 /nfs/dbraw/zinc/85/41/88/564854188.db2.gz VZUMOJOIPFKGCY-CJNGLKHVSA-N 1 0 398.288 2.919 20 0 GFADRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)NCCCn1cc(Br)cn1 ZINC000495440963 564854805 /nfs/dbraw/zinc/85/48/05/564854805.db2.gz ZBNILLDUNYKKGN-ZIAGYGMSSA-N 1 0 386.338 2.598 20 0 GFADRO CS[C@H]1CN(C(=O)c2cc(F)c(F)cc2Br)C[C@@H]1[NH+](C)C ZINC000495683122 564855719 /nfs/dbraw/zinc/85/57/19/564855719.db2.gz WIAZILCYMMHQOF-STQMWFEESA-N 1 0 379.270 2.845 20 0 GFADRO CC1([NH+]2CCOCC2)CCN(C(=O)Cc2cc(F)ccc2Br)CC1 ZINC000529915025 564856779 /nfs/dbraw/zinc/85/67/79/564856779.db2.gz VSAUZICGPNOPHZ-UHFFFAOYSA-N 1 0 399.304 2.844 20 0 GFADRO O=C(NCC[C@H]1CCC[NH2+]1)NCc1cnn(-c2ccc(Br)cc2)c1 ZINC000557206459 564857632 /nfs/dbraw/zinc/85/76/32/564857632.db2.gz VQKPTMDEGIKNLB-OAHLLOKOSA-N 1 0 392.301 2.576 20 0 GFADRO C[C@@H](O)C[N@H+](C)C1CCN(Cc2cc(Br)cc3c2OCC3)CC1 ZINC000462797995 564858960 /nfs/dbraw/zinc/85/89/60/564858960.db2.gz IAOLFZQXKYGUGG-CYBMUJFWSA-N 1 0 383.330 2.661 20 0 GFADRO COC(=O)c1ccc(C[N@@H+]2CC[C@@H](c3nc(C)no3)C2)c(Br)c1 ZINC000496226051 564860395 /nfs/dbraw/zinc/86/03/95/564860395.db2.gz NRKBNUJWFRHJQH-CYBMUJFWSA-N 1 0 380.242 2.917 20 0 GFADRO CCC(=O)N1CC[C@@H](C(=O)N[C@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)C1 ZINC000530031806 564860721 /nfs/dbraw/zinc/86/07/21/564860721.db2.gz NDTDUFQZGUGRHF-CZUORRHYSA-N 1 0 386.323 2.971 20 0 GFADRO CCC(=O)N1CC[C@@H](C(=O)N[C@@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)C1 ZINC000530031805 564860829 /nfs/dbraw/zinc/86/08/29/564860829.db2.gz NDTDUFQZGUGRHF-CJNGLKHVSA-N 1 0 386.323 2.971 20 0 GFADRO CC(C)(C)NC(=O)Nc1ccc(Cl)c(C(=O)N[C@H](CC[NH3+])C(F)F)c1 ZINC000582784974 564861776 /nfs/dbraw/zinc/86/17/76/564861776.db2.gz NGKHOEYUQMIBEI-GFCCVEGCSA-N 1 0 376.835 2.972 20 0 GFADRO COc1cc(Br)c(C[NH2+][C@@H]2CCO[C@@H](c3ccnn3C)C2)cc1O ZINC000582826065 564863663 /nfs/dbraw/zinc/86/36/63/564863663.db2.gz GOLAQCZUYNXQNU-MLGOLLRUSA-N 1 0 396.285 2.907 20 0 GFADRO CC(=O)N1CCC([NH2+][C@@H](C)c2ccc(Br)cc2OCCCO)CC1 ZINC000462963594 564864781 /nfs/dbraw/zinc/86/47/81/564864781.db2.gz HJXHZSPPAQMUOF-ZDUSSCGKSA-N 1 0 399.329 2.872 20 0 GFADRO C[C@H](C[NH+]1CCOCC1)C(=O)NCCc1ccc(Br)cc1Cl ZINC000557489464 564865370 /nfs/dbraw/zinc/86/53/70/564865370.db2.gz VAKKPXBISDUARW-GFCCVEGCSA-N 1 0 389.721 2.730 20 0 GFADRO C[C@@H]1CN(S(=O)(=O)c2c(Cl)cc(F)cc2Br)CC[C@@H]1[NH3+] ZINC000497358180 564865592 /nfs/dbraw/zinc/86/55/92/564865592.db2.gz NOYSTDWPECJAJI-HQJQHLMTSA-N 1 0 385.686 2.599 20 0 GFADRO C[NH+](C)CCN1CCN(C(=O)CCCOc2cccc(Cl)c2Cl)CC1 ZINC000497493761 564869267 /nfs/dbraw/zinc/86/92/67/564869267.db2.gz IUULHFAOUSAMOT-UHFFFAOYSA-N 1 0 388.339 2.858 20 0 GFADRO O=C(Nc1cnn(-c2ncc(Cl)cc2Cl)c1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000582952215 564869333 /nfs/dbraw/zinc/86/93/33/564869333.db2.gz IGIAXGALNMPFHR-IINYFYTJSA-N 1 0 381.267 2.790 20 0 GFADRO Cc1ccc(Br)c(S(=O)(=O)NCC2([NH+](C)C)CCCC2)c1 ZINC000497519985 564870260 /nfs/dbraw/zinc/87/02/60/564870260.db2.gz XZNWBFVDMGHQCP-UHFFFAOYSA-N 1 0 375.332 2.910 20 0 GFADRO CS[C@H]1CN(c2ncc(Br)c(OC(C)(C)C)n2)C[C@@H]1[NH+](C)C ZINC000557643450 564870600 /nfs/dbraw/zinc/87/06/00/564870600.db2.gz YCLCXXPMIHFCSB-RYUDHWBXSA-N 1 0 389.363 2.898 20 0 GFADRO Cc1nc(NC(=O)C[C@@H](C)[C@@H]2CCC[NH2+]C2)ccc1I ZINC000463140698 564871078 /nfs/dbraw/zinc/87/10/78/564871078.db2.gz HMYJAIILLQRNJB-ZYHUDNBSSA-N 1 0 387.265 2.959 20 0 GFADRO COCCN(CC[N@@H+]1CCCOCC1)Cc1sccc1Br ZINC000463206612 564871585 /nfs/dbraw/zinc/87/15/85/564871585.db2.gz XWGGLRXMJIKAFN-UHFFFAOYSA-N 1 0 377.348 2.681 20 0 GFADRO C[N@H+](CC(=O)NCc1cc(F)c(F)cc1Br)[C@@H]1CCSC1 ZINC000557685821 564872413 /nfs/dbraw/zinc/87/24/13/564872413.db2.gz FSDIDUPKJQMHHU-SNVBAGLBSA-N 1 0 379.270 2.781 20 0 GFADRO C[C@H]1C[C@@H](N2CCOCC2)C[N@@H+]1Cc1nc2ccc(Br)cc2o1 ZINC000463216737 564872826 /nfs/dbraw/zinc/87/28/26/564872826.db2.gz XCOVQPZQYAGGEX-GXTWGEPZSA-N 1 0 380.286 2.885 20 0 GFADRO COC(=O)CC1CC[NH+](CC(=O)N(C)Cc2ccccc2Br)CC1 ZINC000497726577 564874573 /nfs/dbraw/zinc/87/45/73/564874573.db2.gz CSKZRDLNHHFKHF-UHFFFAOYSA-N 1 0 397.313 2.683 20 0 GFADRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)NCc1cc(Br)cc2c1OCC2 ZINC000463265336 564874814 /nfs/dbraw/zinc/87/48/14/564874814.db2.gz WVQLUCXMJUBMKW-MLGOLLRUSA-N 1 0 396.329 2.866 20 0 GFADRO CSC[C@H](O)C[NH2+][C@H](C)c1ccc(Br)cc1OCCCO ZINC000463359344 564876328 /nfs/dbraw/zinc/87/63/28/564876328.db2.gz HIDPQPJSVIXLEM-DGCLKSJQSA-N 1 0 378.332 2.585 20 0 GFADRO C[C@@H]([NH2+]Cc1ccnc(N)c1)c1ccc(Br)cc1OCCCO ZINC000463357747 564876392 /nfs/dbraw/zinc/87/63/92/564876392.db2.gz CGVRWKLFNMWZQH-GFCCVEGCSA-N 1 0 380.286 3.038 20 0 GFADRO CCN(CCC[NH+](C)C)C(=O)c1ccc(OC)c(I)c1 ZINC000530345616 564877608 /nfs/dbraw/zinc/87/76/08/564877608.db2.gz MWESMGLTBISEHB-UHFFFAOYSA-N 1 0 390.265 2.714 20 0 GFADRO OC[C@@H]([C@H]([NH2+]C[C@@H](O)COc1cccc(Br)c1)C1CC1)C1CC1 ZINC000583185778 564879684 /nfs/dbraw/zinc/87/96/84/564879684.db2.gz LLZACCGZIRGETD-KBAYOESNSA-N 1 0 384.314 2.576 20 0 GFADRO CC[N@@H+](CC(=O)Nc1ccc(I)cc1C)C[C@H](C)OC ZINC000463430893 564881851 /nfs/dbraw/zinc/88/18/51/564881851.db2.gz XHKDNUHNJNEHIE-LBPRGKRZSA-N 1 0 390.265 2.895 20 0 GFADRO [NH3+]Cc1cc(C(=O)N2CCO[C@H](c3cccc(Br)c3)C2)ccn1 ZINC000463491348 564882246 /nfs/dbraw/zinc/88/22/46/564882246.db2.gz QLSOPYUSBCJYMS-INIZCTEOSA-N 1 0 376.254 2.517 20 0 GFADRO Cc1cc(S(=O)(=O)NCC[NH2+][C@@H]2CCCC[C@@H]2[C@@H]2CCOC2)c(C)s1 ZINC000530439878 564882574 /nfs/dbraw/zinc/88/25/74/564882574.db2.gz ZANDVIFMUPSBFP-BRWVUGGUSA-N 1 0 386.583 2.828 20 0 GFADRO O=S(=O)(Cc1ccc(Br)cc1)N1CCC2(CC[NH2+]CC2)CC1 ZINC000583262696 564883264 /nfs/dbraw/zinc/88/32/64/564883264.db2.gz OBXLWCQIXBKAAY-UHFFFAOYSA-N 1 0 387.343 2.745 20 0 GFADRO CN1CC[NH+](CCCCNC(=O)C2(c3ccccc3Br)CC2)CC1 ZINC000530506315 564885400 /nfs/dbraw/zinc/88/54/00/564885400.db2.gz COKSAANOAASJOI-UHFFFAOYSA-N 1 0 394.357 2.625 20 0 GFADRO O=C(NCC1CC[NH2+]CC1)N1CCO[C@H](c2cccc(Br)c2)C1 ZINC000583311866 564886661 /nfs/dbraw/zinc/88/66/61/564886661.db2.gz AYQRKUROEQPYDZ-INIZCTEOSA-N 1 0 382.302 2.532 20 0 GFADRO CC(C)(C(=O)N[C@H](CO)C[NH+]1CCCCC1)c1ccc(Br)cc1 ZINC000558025907 564889284 /nfs/dbraw/zinc/88/92/84/564889284.db2.gz OHEUIWHHXMKJEF-INIZCTEOSA-N 1 0 383.330 2.690 20 0 GFADRO CCN(CC)S(=O)(=O)c1cc(NC(=O)N[C@H](C)C[C@@H](C)[NH3+])ccc1Cl ZINC000583381530 564889570 /nfs/dbraw/zinc/88/95/70/564889570.db2.gz OMEAZJHHQCDXEN-VXGBXAGGSA-N 1 0 390.937 2.618 20 0 GFADRO CN(CCC(=O)N[C@@H](CO)c1ccc(Br)c(F)c1)c1cc[nH+]cc1 ZINC000558045871 564889844 /nfs/dbraw/zinc/88/98/44/564889844.db2.gz NWHLFVJNVAIQEZ-INIZCTEOSA-N 1 0 396.260 2.659 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)N1CC[C@](O)(C(F)(F)F)C1)c1ccc(Cl)cc1 ZINC000530638426 564890385 /nfs/dbraw/zinc/89/03/85/564890385.db2.gz DBKBGCRMZFKIOV-DZGCQCFKSA-N 1 0 379.810 2.651 20 0 GFADRO C[C@H](NC(=O)[C@H]([NH3+])CC(F)F)c1nc(-c2ccc(Br)cc2)no1 ZINC000498200475 564891930 /nfs/dbraw/zinc/89/19/30/564891930.db2.gz JGDZRZRDWAUASU-OIBJUYFYSA-N 1 0 389.200 2.659 20 0 GFADRO C[C@H]1C[N@@H+]([C@@H]2CC(=O)N(c3ccc(I)cc3)C2=O)C[C@H]1C ZINC000530728390 564893403 /nfs/dbraw/zinc/89/34/03/564893403.db2.gz UMNWPIOIWFTSQV-UHIISALHSA-N 1 0 398.244 2.511 20 0 GFADRO CN(CC[NH2+]C[C@H](O)COc1ccc(Cl)cc1Cl)CC(F)(F)F ZINC000583559729 564897511 /nfs/dbraw/zinc/89/75/11/564897511.db2.gz IEHCVASNCOTXAS-NSHDSACASA-N 1 0 375.218 2.817 20 0 GFADRO CC[C@H](NC(=O)C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21)c1ccc(Cl)s1 ZINC000558333076 564898080 /nfs/dbraw/zinc/89/80/80/564898080.db2.gz STSUXNAUROUACY-MELADBBJSA-N 1 0 383.945 2.912 20 0 GFADRO CCC[N@H+](CC)C[C@H](C)NC(=O)CSc1nnc(-c2cccs2)n1C ZINC000583597849 564898355 /nfs/dbraw/zinc/89/83/55/564898355.db2.gz IPCQZTCXZMMJBL-ZDUSSCGKSA-N 1 0 381.571 2.872 20 0 GFADRO CC[NH+](CC)CCS(=O)(=O)N[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000558472942 564902631 /nfs/dbraw/zinc/90/26/31/564902631.db2.gz RTLSGYWMDFEIBT-LSDHHAIUSA-N 1 0 375.332 2.566 20 0 GFADRO CC[N@@H+]1C[C@@H](C)N(C(=O)c2ccc(F)c(I)c2)C[C@H]1C ZINC000498573060 564902874 /nfs/dbraw/zinc/90/28/74/564902874.db2.gz RZEMSYGRDLZZPP-GHMZBOCLSA-N 1 0 390.240 2.985 20 0 GFADRO CCC[N@H+](CC)C[C@@H](C)NS(=O)(=O)c1ccc(C(=O)OC)cc1Cl ZINC000558479957 564903366 /nfs/dbraw/zinc/90/33/66/564903366.db2.gz YIKBEOSARROENH-GFCCVEGCSA-N 1 0 376.906 2.525 20 0 GFADRO CC(C)(O)C[N@H+](C[C@H](O)COc1c(Cl)cccc1Cl)C1CCOCC1 ZINC000531177274 564903699 /nfs/dbraw/zinc/90/36/99/564903699.db2.gz APBJEBOHHKWJQR-AWEZNQCLSA-N 1 0 392.323 2.985 20 0 GFADRO CC[NH+](CC)C[C@@H](C)NC(=O)[C@H]1CSCN1C(=O)c1ccc(Cl)cc1 ZINC000498646517 564904172 /nfs/dbraw/zinc/90/41/72/564904172.db2.gz NEVHOLRKQYCCAG-CZUORRHYSA-N 1 0 383.945 2.702 20 0 GFADRO O=S1(=O)CCC(C[NH2+][C@H]2CCc3c2ccc(F)c3Br)CC1 ZINC000583733491 564905064 /nfs/dbraw/zinc/90/50/64/564905064.db2.gz LYHJVTZCOBFYIX-AWEZNQCLSA-N 1 0 376.291 2.990 20 0 GFADRO C[C@@H]1CC[N@H+](C)CCN1C(=O)c1cnc(Sc2nccn2C)c(Cl)c1 ZINC000498729548 564906809 /nfs/dbraw/zinc/90/68/09/564906809.db2.gz NYXSCSMVHLIERW-GFCCVEGCSA-N 1 0 379.917 2.786 20 0 GFADRO C[C@@H]1CC[N@H+](C)CCN1C(=O)Cc1csc(NC(=O)c2cccs2)n1 ZINC000498740338 564906926 /nfs/dbraw/zinc/90/69/26/564906926.db2.gz XPJKUNYAFALEBI-GFCCVEGCSA-N 1 0 378.523 2.552 20 0 GFADRO C[C@@H]1CC[N@H+](C)CCN1C(=O)c1cnn(-c2ccc(Br)cc2)c1 ZINC000498730142 564907375 /nfs/dbraw/zinc/90/73/75/564907375.db2.gz YEFSHVCNQGZABE-CYBMUJFWSA-N 1 0 377.286 2.801 20 0 GFADRO CN(C)S(=O)(=O)N1CCC[C@@H]([NH2+][C@@H]2CC[C@@H](c3ccc(Cl)cc3)C2)C1 ZINC000583793120 564907746 /nfs/dbraw/zinc/90/77/46/564907746.db2.gz XIPXISASDAAUIA-KBAYOESNSA-N 1 0 385.961 2.837 20 0 GFADRO CN(C(=O)c1cc(=O)[nH]c2c(Br)cccc12)[C@H]1C[NH+]2CCC1CC2 ZINC000531410323 564909847 /nfs/dbraw/zinc/90/98/47/564909847.db2.gz JZHKKXYFIGSIRM-HNNXBMFYSA-N 1 0 390.281 2.869 20 0 GFADRO O=C(N[C@@H]1COc2cc(F)c(Br)cc21)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000558672533 564910431 /nfs/dbraw/zinc/91/04/31/564910431.db2.gz JVPGBNAJYYCHTD-IAQYHMDHSA-N 1 0 398.276 2.901 20 0 GFADRO CSc1ncc(Cl)c(C(=O)Nc2cc(C)nn2C2CC[NH+](C)CC2)n1 ZINC000531429198 564910574 /nfs/dbraw/zinc/91/05/74/564910574.db2.gz INGWJIKJPGXJHP-UHFFFAOYSA-N 1 0 380.905 2.876 20 0 GFADRO C[N@@H+]1C[C@H](NS(=O)(=O)c2cccc(Br)c2)[C@H](c2ccccc2)C1 ZINC000498853297 564910814 /nfs/dbraw/zinc/91/08/14/564910814.db2.gz IPJHWOIVMQAWLV-IRXDYDNUSA-N 1 0 395.322 2.825 20 0 GFADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)N1CCC[C@H]1c1ccc(Br)cc1 ZINC000531442857 564910897 /nfs/dbraw/zinc/91/08/97/564910897.db2.gz QYSKSFDWXFAPLG-SJORKVTESA-N 1 0 395.345 2.541 20 0 GFADRO CC[N@@H+]1C[C@@H](C)N(CC(=O)N(C)Cc2cc(Br)cs2)C[C@H]1C ZINC000498913555 564913286 /nfs/dbraw/zinc/91/32/86/564913286.db2.gz ACTFSDULISSNNL-CHWSQXEVSA-N 1 0 388.375 2.884 20 0 GFADRO O[C@H](C[NH2+]CCSCc1ccc(Cl)cc1Cl)CN1CCOCC1 ZINC000583989906 564915366 /nfs/dbraw/zinc/91/53/66/564915366.db2.gz VQYSGGUEMQZIJH-OAHLLOKOSA-N 1 0 379.353 2.509 20 0 GFADRO CC[C@H](CO)[NH+]1CCN(Cc2nnc(-c3ccc(Cl)cc3Cl)o2)CC1 ZINC000464766780 564917480 /nfs/dbraw/zinc/91/74/80/564917480.db2.gz DWQADHOTPSIFSZ-CYBMUJFWSA-N 1 0 385.295 2.932 20 0 GFADRO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[N@@H+]1CCC[C@@]2(CNC(=O)C2)C1 ZINC000464802248 564918961 /nfs/dbraw/zinc/91/89/61/564918961.db2.gz PKKCSBBTHAKCEC-GOSISDBHSA-N 1 0 384.307 2.554 20 0 GFADRO C[C@H](Oc1cc(Cl)cc(Cl)c1)C(=O)NC1(CCO)CC[NH+](C)CC1 ZINC000499127764 564919240 /nfs/dbraw/zinc/91/92/40/564919240.db2.gz AUOKNEBLYVSRJH-LBPRGKRZSA-N 1 0 375.296 2.724 20 0 GFADRO CN(Cc1ccccc1Br)C(=O)C[N@@H+]1CCC[C@H]2COCC[C@@H]21 ZINC000464858500 564919959 /nfs/dbraw/zinc/91/99/59/564919959.db2.gz WXEUGHKTWMRPTF-RDJZCZTQSA-N 1 0 381.314 2.908 20 0 GFADRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NCCOc1ccc(Br)cc1 ZINC000531803663 564921059 /nfs/dbraw/zinc/92/10/59/564921059.db2.gz PBULWVJPUQBGSD-MLGOLLRUSA-N 1 0 382.302 2.610 20 0 GFADRO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)NCc2cn3cc(Br)ccc3n2)C1 ZINC000464955590 564921287 /nfs/dbraw/zinc/92/12/87/564921287.db2.gz WPRGTUNUMKSATC-SWLSCSKDSA-N 1 0 394.317 2.625 20 0 GFADRO C[C@@H](CNC(=O)c1cc(Br)cnc1N(C)C)[N@@H+]1CCCC[C@@H]1C ZINC000499390535 564925677 /nfs/dbraw/zinc/92/56/77/564925677.db2.gz PFRIUXUJXFQQQG-STQMWFEESA-N 1 0 383.334 2.903 20 0 GFADRO CN(Cc1ccc(Br)cc1Cl)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000584221867 564926022 /nfs/dbraw/zinc/92/60/22/564926022.db2.gz AKLAEDQJEKNTQX-ZDUSSCGKSA-N 1 0 390.709 2.622 20 0 GFADRO Cc1ccc(OC[C@H](O)C[NH2+][C@H](CO)c2ccc(Br)c(F)c2)cc1 ZINC000559269620 564928907 /nfs/dbraw/zinc/92/89/07/564928907.db2.gz KEJYQLYGLNSTTC-RDTXWAMCSA-N 1 0 398.272 2.960 20 0 GFADRO Clc1cccc(N2CCOCC2)c1C[NH2+]CCn1cc(Br)cn1 ZINC000559303962 564929607 /nfs/dbraw/zinc/92/96/07/564929607.db2.gz NSBBUHBZTUSKJX-UHFFFAOYSA-N 1 0 399.720 2.925 20 0 GFADRO C[C@H]1C[C@H](NC(=O)NCCC(=O)Nc2ccc(Br)cc2)CC[N@@H+]1C ZINC000465707384 564931499 /nfs/dbraw/zinc/93/14/99/564931499.db2.gz HZBODHDEAXIXCF-SWLSCSKDSA-N 1 0 397.317 2.560 20 0 GFADRO CC[N@@H+]1CCCN(C(=O)C(=O)N[C@@H](C)c2cc(F)c(Cl)cc2Cl)CC1 ZINC000559409592 564932688 /nfs/dbraw/zinc/93/26/88/564932688.db2.gz MYOINTXMEYIZTF-NSHDSACASA-N 1 0 390.286 2.864 20 0 GFADRO CSc1nc(=O)[nH]c(C)c1C(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000532288829 564933127 /nfs/dbraw/zinc/93/31/27/564933127.db2.gz UNHUKYSJUHVWOV-CYBMUJFWSA-N 1 0 380.901 2.899 20 0 GFADRO C[C@H](CNC(=O)c1nnn(-c2ccc(Br)cc2)c1C1CC1)[NH+](C)C ZINC000499670334 564933220 /nfs/dbraw/zinc/93/32/20/564933220.db2.gz PYTOIQSIGZPDKN-LLVKDONJSA-N 1 0 392.301 2.587 20 0 GFADRO COCCN(CC(F)(F)F)C(=O)[C@@H]1C[N@@H+](C(C)(C)C)C[C@H]1C(F)(F)F ZINC000559467449 564933701 /nfs/dbraw/zinc/93/37/01/564933701.db2.gz MKNKAMYGNQFOCH-GHMZBOCLSA-N 1 0 378.357 2.933 20 0 GFADRO C[C@@H](C[NH+](C)C)NC(=O)N[C@@H](C)c1nc(-c2ccc(Br)cc2)no1 ZINC000499705168 564934314 /nfs/dbraw/zinc/93/43/14/564934314.db2.gz BEFWNKFGUDXCMH-QWRGUYRKSA-N 1 0 396.289 2.809 20 0 GFADRO C[C@H](CNC(=O)N(C)CC[NH+]1CCCC1)Oc1cccc(Br)c1 ZINC000466307572 564937745 /nfs/dbraw/zinc/93/77/45/564937745.db2.gz NUZUTKBTAVBGEC-CQSZACIVSA-N 1 0 384.318 2.954 20 0 GFADRO C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)N[C@@H](C)c1ccc(Br)cc1 ZINC000559775127 564939700 /nfs/dbraw/zinc/93/97/00/564939700.db2.gz AHVDHUQXLFQEKY-KBPBESRZSA-N 1 0 396.329 2.617 20 0 GFADRO CC[C@@H]1CN(C(=O)C(=O)NC[C@H](c2ccsc2)[NH+](CC)CC)CCS1 ZINC000559748098 564939864 /nfs/dbraw/zinc/93/98/64/564939864.db2.gz BVCNCJDZTGUAKU-HZPDHXFCSA-N 1 0 383.583 2.601 20 0 GFADRO COc1ccc(C[NH2+]CCCNS(=O)(=O)c2ccccc2Cl)cc1O ZINC000466382344 564940016 /nfs/dbraw/zinc/94/00/16/564940016.db2.gz WQQXNBNEWVSIDA-UHFFFAOYSA-N 1 0 384.885 2.512 20 0 GFADRO C[C@@H](Oc1ccc(Br)cc1)C(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1 ZINC000499919211 564940413 /nfs/dbraw/zinc/94/04/13/564940413.db2.gz IXCATFOPEHWVGK-PBHICJAKSA-N 1 0 399.329 2.786 20 0 GFADRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)Cc1ccc(F)c(Br)c1 ZINC000499929601 564941129 /nfs/dbraw/zinc/94/11/29/564941129.db2.gz NFLZCBWCHPKKAL-CQSZACIVSA-N 1 0 387.293 2.700 20 0 GFADRO C[NH+](C)CC1(NC(=O)c2cc(I)c(F)cc2F)CCC1 ZINC000466571406 564943264 /nfs/dbraw/zinc/94/32/64/564943264.db2.gz CRAMLMOWMKMYTA-UHFFFAOYSA-N 1 0 394.203 2.784 20 0 GFADRO C[C@H](CNC(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C)Oc1ccccc1Br ZINC000466547937 564943555 /nfs/dbraw/zinc/94/35/55/564943555.db2.gz JQNBLVYKPRTJLW-WOSRLPQWSA-N 1 0 396.329 2.998 20 0 GFADRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N1CCc2c(Br)cccc2C1 ZINC000466757735 564947102 /nfs/dbraw/zinc/94/71/02/564947102.db2.gz WSNRDDONHIKCPT-PXAZEXFGSA-N 1 0 378.314 3.000 20 0 GFADRO Cc1cc(Br)cc(C)c1S(=O)(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000466881107 564949476 /nfs/dbraw/zinc/94/94/76/564949476.db2.gz PLFJBZVNQDLWQU-CABCVRRESA-N 1 0 387.343 2.923 20 0 GFADRO COC(C)(C)C[N@H+](C)[C@@H](C)C(=O)Nc1ccc(I)cc1 ZINC000533019982 564952117 /nfs/dbraw/zinc/95/21/17/564952117.db2.gz CNOZWBSFYZQITI-NSHDSACASA-N 1 0 390.265 2.975 20 0 GFADRO C/C(=C\c1ccccc1C(F)(F)F)C[NH2+]C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000500426743 564952552 /nfs/dbraw/zinc/95/25/52/564952552.db2.gz ZBGGOTSVGLDUJJ-KADHNRKRSA-N 1 0 376.444 2.980 20 0 GFADRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1cnn(-c2ccc(Br)cc2)c1 ZINC000467024510 564953068 /nfs/dbraw/zinc/95/30/68/564953068.db2.gz PBCPKZLTDHBMCT-SJCJKPOMSA-N 1 0 389.297 2.847 20 0 GFADRO Cc1ccc(C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@@H]2C)cc1I ZINC000467024380 564953146 /nfs/dbraw/zinc/95/31/46/564953146.db2.gz SSKBGYHDKRCIBF-XHDPSFHLSA-N 1 0 384.261 2.812 20 0 GFADRO C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000467039317 564953245 /nfs/dbraw/zinc/95/32/45/564953245.db2.gz XDGFDWXPFJWWPG-AAEUAGOBSA-N 1 0 376.810 2.543 20 0 GFADRO Cc1cccc(C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@@H]2C)c1I ZINC000467022626 564953655 /nfs/dbraw/zinc/95/36/55/564953655.db2.gz JFESPYDWWAWLNO-SMDDNHRTSA-N 1 0 384.261 2.812 20 0 GFADRO CC(C)N(CC[NH+](C)C)C(=O)c1cccc(F)c1I ZINC000533077097 564953886 /nfs/dbraw/zinc/95/38/86/564953886.db2.gz DCBBLKDQEFWGLH-UHFFFAOYSA-N 1 0 378.229 2.843 20 0 GFADRO CC[NH+](CC)[C@@H]1CCN(C(=O)c2cccc(F)c2I)C1 ZINC000533077155 564953914 /nfs/dbraw/zinc/95/39/14/564953914.db2.gz UYRONBNCGNBJLP-LLVKDONJSA-N 1 0 390.240 2.987 20 0 GFADRO Cc1ccc(C[NH2+][C@H]2CCC[C@@H]2CNS(C)(=O)=O)cc1Br ZINC000500460118 564954379 /nfs/dbraw/zinc/95/43/79/564954379.db2.gz HLGUTEIWXYXOGN-HIFRSBDPSA-N 1 0 375.332 2.565 20 0 GFADRO C[C@H]1C[C@H](C)[N@H+](CCC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2Cl)C1 ZINC000533292592 564960596 /nfs/dbraw/zinc/96/05/96/564960596.db2.gz AKKUYTMMQLMYNW-STQMWFEESA-N 1 0 387.933 2.649 20 0 GFADRO C[C@H](C[NH2+]C1(c2cccc(Br)c2)CCOCC1)CS(C)(=O)=O ZINC000533348982 564961444 /nfs/dbraw/zinc/96/14/44/564961444.db2.gz QOJKOKGJTJPJLL-CYBMUJFWSA-N 1 0 390.343 2.725 20 0 GFADRO CC[NH+](CC)CC(=O)N1CCN(Cc2cc(Br)ccc2F)CC1 ZINC000500821998 564963657 /nfs/dbraw/zinc/96/36/57/564963657.db2.gz OQRZNKRNGLKOBG-UHFFFAOYSA-N 1 0 386.309 2.574 20 0 GFADRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000560488622 564964548 /nfs/dbraw/zinc/96/45/48/564964548.db2.gz KWADJECKZRJGIT-BBRMVZONSA-N 1 0 391.313 2.516 20 0 GFADRO O=C(c1csc(C(F)(F)F)n1)N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000500860908 564964580 /nfs/dbraw/zinc/96/45/80/564964580.db2.gz DCQYQYIIMSYPEK-GFCCVEGCSA-N 1 0 377.432 2.879 20 0 GFADRO C[NH+](C)CCNC(=O)Nc1ccc(=O)n(Cc2ccc(Cl)c(Cl)c2)c1 ZINC000500892563 564965005 /nfs/dbraw/zinc/96/50/05/564965005.db2.gz GWPCHVYGVUWHPY-UHFFFAOYSA-N 1 0 383.279 2.887 20 0 GFADRO CN(C(=O)c1cccc(F)c1I)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000533528303 564965388 /nfs/dbraw/zinc/96/53/88/564965388.db2.gz VGNBVYMWDQFNDU-LLVKDONJSA-N 1 0 388.224 2.739 20 0 GFADRO O=C(CCCCc1ccc(I)cc1)NCC[NH+]1CCC1 ZINC000501014522 564967590 /nfs/dbraw/zinc/96/75/90/564967590.db2.gz KZBVGXMJLBKEEC-UHFFFAOYSA-N 1 0 386.277 2.826 20 0 GFADRO C[NH2+]C(C)(C)CNc1cnn(-c2ccc(C(F)(F)F)cn2)c(=O)c1Cl ZINC000533632046 564968527 /nfs/dbraw/zinc/96/85/27/564968527.db2.gz HUWKWPUNPMBBAS-UHFFFAOYSA-N 1 0 375.782 2.710 20 0 GFADRO CC[C@@]1(C(=O)N2CCN(C(=O)c3cc4sccc4s3)CC2)CCC[NH2+]1 ZINC000467717146 564970198 /nfs/dbraw/zinc/97/01/98/564970198.db2.gz YOVHNHDAXNONPU-SFHVURJKSA-N 1 0 377.535 2.779 20 0 GFADRO C[C@H](NS(=O)(=O)N(C)Cc1c(F)cccc1Cl)C(C)(C)C[NH+](C)C ZINC000467765362 564972039 /nfs/dbraw/zinc/97/20/39/564972039.db2.gz AIUYOUYJOSZRSQ-LBPRGKRZSA-N 1 0 379.929 2.722 20 0 GFADRO O=C(Nc1cc(Br)ccc1O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000533964550 564976661 /nfs/dbraw/zinc/97/66/61/564976661.db2.gz ZTGVXOOUUNJPHM-SFHVURJKSA-N 1 0 391.265 2.730 20 0 GFADRO CCc1n[nH]c(C(=O)NC[C@@H](C)[N@@H+]2CCc3ccccc3C2)c1Br ZINC000468255772 564981083 /nfs/dbraw/zinc/98/10/83/564981083.db2.gz AFGPFGHCOLCQHD-GFCCVEGCSA-N 1 0 391.313 2.911 20 0 GFADRO COc1ccc(CN2C[C@@H](SC)[C@@H]([NH+](C)C)C2)c(Br)c1OC ZINC000534219259 564982922 /nfs/dbraw/zinc/98/29/22/564982922.db2.gz YKSZNFPORNZWMO-GXTWGEPZSA-N 1 0 389.359 2.944 20 0 GFADRO CS[C@@H]1CN(CC(=O)Nc2ccc(Br)cc2C)C[C@H]1[NH+](C)C ZINC000534215734 564983010 /nfs/dbraw/zinc/98/30/10/564983010.db2.gz NIOOKXMNZQNOIH-HUUCEWRRSA-N 1 0 386.359 2.673 20 0 GFADRO O=C1C[C@H]([C@@H]2CCCC[N@H+]2C[C@@H](O)COc2c(Cl)cccc2Cl)CN1 ZINC000534279416 564984237 /nfs/dbraw/zinc/98/42/37/564984237.db2.gz TYXVTDDMRWSWCQ-ZENOOKHLSA-N 1 0 387.307 2.724 20 0 GFADRO CC[N@H+](CC(=O)N(C)[C@@H](C(=O)OC)c1cccc(Br)c1)C1CC1 ZINC000501641095 564984261 /nfs/dbraw/zinc/98/42/61/564984261.db2.gz AJAGAWUJSWOQSY-MRXNPFEDSA-N 1 0 383.286 2.606 20 0 GFADRO C[C@@H]([NH2+]Cc1cn(-c2cccc(Cl)c2Cl)nn1)[C@@H](C)N1CCOCC1 ZINC000534355534 564986846 /nfs/dbraw/zinc/98/68/46/564986846.db2.gz XZSACOIWQFPZGQ-CHWSQXEVSA-N 1 0 384.311 2.773 20 0 GFADRO Cc1cc(Cl)c(NC(=O)C(=O)NC[C@@]2([NH+](C)C)CCSC2)cc1Cl ZINC000501868105 564987104 /nfs/dbraw/zinc/98/71/04/564987104.db2.gz BBSNENUOCVOQNZ-INIZCTEOSA-N 1 0 390.336 2.794 20 0 GFADRO C[NH+]1CCN(c2cccc(C(=O)Nc3cc(Br)ccc3F)n2)CC1 ZINC000502080177 564991851 /nfs/dbraw/zinc/99/18/51/564991851.db2.gz NHTPAGSQPCZABR-UHFFFAOYSA-N 1 0 393.260 2.987 20 0 GFADRO CC[C@H](C)[N@H+](C)CCNC(=O)COc1cccc(I)c1 ZINC000468763463 564992893 /nfs/dbraw/zinc/99/28/93/564992893.db2.gz APFLRQFTZUGMOL-LBPRGKRZSA-N 1 0 390.265 2.517 20 0 GFADRO C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)c1cc[nH]c(=O)c1Br ZINC000468783639 564993566 /nfs/dbraw/zinc/99/35/66/564993566.db2.gz BQAOBLLCNCCJQF-UHFFFAOYSA-N 1 0 396.260 2.893 20 0 GFADRO CCC[N@@H+]1CCC[C@H]1CNC(=O)CCNC(=O)c1ccc(Br)cc1 ZINC000561428009 564994746 /nfs/dbraw/zinc/99/47/46/564994746.db2.gz JUHMMSFPJAWKSF-INIZCTEOSA-N 1 0 396.329 2.560 20 0 GFADRO C[C@H](CNS(=O)(=O)c1cc(Br)cc2cccnc21)[N@H+](C)C1CC1 ZINC000561506592 564997097 /nfs/dbraw/zinc/99/70/97/564997097.db2.gz ZWALFRSRWCKRDC-LLVKDONJSA-N 1 0 398.326 2.758 20 0 GFADRO CS[C@H]1CN(C(=O)Cc2ccc(F)c(Br)c2)C[C@H]1[NH+](C)C ZINC000534829757 564998142 /nfs/dbraw/zinc/99/81/42/564998142.db2.gz TYTQEAZSWYKDKU-KGLIPLIRSA-N 1 0 375.307 2.635 20 0 GFADRO C[N@H+](CCNS(=O)(=O)c1c(Cl)cc(F)cc1Br)C1CC1 ZINC000502420792 564998167 /nfs/dbraw/zinc/99/81/67/564998167.db2.gz UDQWUNKZDIGHQZ-UHFFFAOYSA-N 1 0 385.686 2.614 20 0 GFADRO CS[C@@H]1CN(C(=O)c2ccnc(-c3ccc(Cl)cc3)n2)C[C@@H]1[NH+](C)C ZINC000502474682 564999485 /nfs/dbraw/zinc/99/94/85/564999485.db2.gz SKPXFHKKBKDIBV-JKSUJKDBSA-N 1 0 376.913 2.915 20 0 GFADRO O=S(=O)(C1CC[NH+](CCOc2ccc(Cl)c(F)c2)CC1)N1CCCC1 ZINC000502521680 565000174 /nfs/dbraw/zinc/00/01/74/565000174.db2.gz KSUGXEWNFPFNDH-UHFFFAOYSA-N 1 0 390.908 2.748 20 0 GFADRO CCN(CC[NH+]1CCCCCC1)S(=O)(=O)c1ccc(Br)cn1 ZINC000561564039 565002778 /nfs/dbraw/zinc/00/27/78/565002778.db2.gz HCYHXEYJPQSSCG-UHFFFAOYSA-N 1 0 390.347 2.731 20 0 GFADRO Cc1c(Br)cc(C(=O)NC[C@@]2([NH+](C)C)CCC[C@@H](C)C2)c(=O)n1C ZINC000469091080 565005298 /nfs/dbraw/zinc/00/52/98/565005298.db2.gz XBAASTRYEHDURD-KZULUSFZSA-N 1 0 398.345 2.697 20 0 GFADRO O=C(NCCOc1cccc(Br)c1)N1CC[NH+](C2CCC2)CC1 ZINC000502798399 565005303 /nfs/dbraw/zinc/00/53/03/565005303.db2.gz JTEANLQDBGHLLP-UHFFFAOYSA-N 1 0 382.302 2.708 20 0 GFADRO Cc1c(Br)cc(C(=O)NC[C@]2([NH+](C)C)CCC[C@H](C)C2)c(=O)n1C ZINC000469091201 565005583 /nfs/dbraw/zinc/00/55/83/565005583.db2.gz XBAASTRYEHDURD-SGTLLEGYSA-N 1 0 398.345 2.697 20 0 GFADRO CN(CCN1CCOC(C)(C)C1)C(=O)COc1c(Cl)cccc1Cl ZINC000469145724 565006721 /nfs/dbraw/zinc/00/67/21/565006721.db2.gz FTFSVCHJKPAPRQ-UHFFFAOYSA-N 1 0 375.296 2.941 20 0 GFADRO C[C@@H]1CC[N@H+](C)CCN1C(=O)N[C@H]1CCN(c2ccccc2Br)C1 ZINC000502981456 565010186 /nfs/dbraw/zinc/01/01/86/565010186.db2.gz JHBHPLUABKPMAM-CABCVRRESA-N 1 0 395.345 2.763 20 0 GFADRO CS(=O)(=O)c1ccc(C[NH2+]Cc2ccc(OC[C@H]3CCCO3)cc2)s1 ZINC000469233888 565010337 /nfs/dbraw/zinc/01/03/37/565010337.db2.gz SPUKATHUXASYLV-MRXNPFEDSA-N 1 0 381.519 2.999 20 0 GFADRO C[NH+](C)[C@@]1(CNC(=O)N2CC[C@H](Oc3cccc(Cl)c3)C2)CCSC1 ZINC000535361916 565011371 /nfs/dbraw/zinc/01/13/71/565011371.db2.gz KULAAIYZQFENDT-FUHWJXTLSA-N 1 0 383.945 2.940 20 0 GFADRO CS[C@@H]1CN(S(=O)(=O)c2ccc(F)cc2C(F)(F)F)C[C@H]1[NH+](C)C ZINC000503206588 565013718 /nfs/dbraw/zinc/01/37/18/565013718.db2.gz HKBCGRAJFQPVAS-VXGBXAGGSA-N 1 0 386.436 2.511 20 0 GFADRO COC(=O)[C@]1(C)C[N@H+](Cc2nc3ccc(Br)cc3n2C)C[C@H]1C ZINC000503232821 565015293 /nfs/dbraw/zinc/01/52/93/565015293.db2.gz PMSAWHHQMUAGSH-PIGZYNQJSA-N 1 0 380.286 2.967 20 0 GFADRO O=C(Nc1c[nH]cc(Br)c1=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000535563671 565015514 /nfs/dbraw/zinc/01/55/14/565015514.db2.gz FWMBCHGOWRBFPZ-UHFFFAOYSA-N 1 0 390.281 2.988 20 0 GFADRO Cc1csc(C(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)c1I ZINC000469377872 565015809 /nfs/dbraw/zinc/01/58/09/565015809.db2.gz XEVZAWBMNQPVHF-UWVGGRQHSA-N 1 0 378.279 2.874 20 0 GFADRO Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000562053974 565016440 /nfs/dbraw/zinc/01/64/40/565016440.db2.gz IXUADRXNKVPPLM-UHFFFAOYSA-N 1 0 378.826 2.951 20 0 GFADRO CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CC(=O)Nc2ccc(Br)cc21 ZINC000469412518 565016978 /nfs/dbraw/zinc/01/69/78/565016978.db2.gz TZIWCVSEGTZXBZ-DZGCQCFKSA-N 1 0 394.313 2.866 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@@H]1CC(=O)Nc2ccc(Br)cc21 ZINC000469528865 565019388 /nfs/dbraw/zinc/01/93/88/565019388.db2.gz JQHYQTZCROEPRQ-UKRRQHHQSA-N 1 0 394.313 2.818 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)[C@@H]1CC(=O)Nc2ccc(Br)cc21 ZINC000469528863 565019599 /nfs/dbraw/zinc/01/95/99/565019599.db2.gz JQHYQTZCROEPRQ-DZGCQCFKSA-N 1 0 394.313 2.818 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)[C@H]2CC(=O)Nc3ccc(Br)cc32)C[N@@H+]1C1CC1 ZINC000469551066 565020173 /nfs/dbraw/zinc/02/01/73/565020173.db2.gz BVHPFGGXNSJBCV-GMXABZIVSA-N 1 0 392.297 2.616 20 0 GFADRO CC[C@H](C[N@H+](C)C[C@@H](O)CN1CCOCC1)Oc1ccc(Cl)c(Cl)c1 ZINC000469743616 565025373 /nfs/dbraw/zinc/02/53/73/565025373.db2.gz URTYTXZIZXVYID-HUUCEWRRSA-N 1 0 391.339 2.776 20 0 GFADRO O=C(NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)N[C@@H](CO)CC(F)F ZINC000562361795 565025923 /nfs/dbraw/zinc/02/59/23/565025923.db2.gz AFKXRQUCAVRXCH-DOMZBBRYSA-N 1 0 375.847 2.792 20 0 GFADRO C[C@H](CNC(=O)c1cncc(I)c1)[N@@H+]1CCCC[C@H]1C ZINC000535999352 565025946 /nfs/dbraw/zinc/02/59/46/565025946.db2.gz SZXSXCJHBJVQIO-VXGBXAGGSA-N 1 0 387.265 2.679 20 0 GFADRO C[C@@H](CNC(=O)N[C@@H](C)c1ncc(Br)cn1)C[NH+]1CCCCC1 ZINC000562395942 565027596 /nfs/dbraw/zinc/02/75/96/565027596.db2.gz QNXHFPWZJIUKOI-STQMWFEESA-N 1 0 384.322 2.721 20 0 GFADRO CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)CC(=O)Nc1ccccc1Br ZINC000536065077 565028170 /nfs/dbraw/zinc/02/81/70/565028170.db2.gz NAVBTTXJGHITDT-OAHLLOKOSA-N 1 0 382.302 2.720 20 0 GFADRO Cc1csc(C(=O)N[C@@H]2CCC[N@H+](C)[C@@H]2C)c1I ZINC000469821462 565028551 /nfs/dbraw/zinc/02/85/51/565028551.db2.gz NWUNSVAWXOBPFT-NXEZZACHSA-N 1 0 378.279 2.874 20 0 GFADRO O=C(CC[N@@H+]1C[C@H](O)C[C@@H]1[C@H]1CCCOC1)Nc1ccc(Br)cc1 ZINC000562543312 565032445 /nfs/dbraw/zinc/03/24/45/565032445.db2.gz AJGHQIGTMVXNNO-IAOVAPTHSA-N 1 0 397.313 2.640 20 0 GFADRO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)Cc1cc[nH]c(=O)c1Br ZINC000562567668 565033861 /nfs/dbraw/zinc/03/38/61/565033861.db2.gz BPXXILMDSAMKEZ-CQSZACIVSA-N 1 0 384.318 2.719 20 0 GFADRO C[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)Nc3ccc(Br)cc32)CC1 ZINC000469994306 565034705 /nfs/dbraw/zinc/03/47/05/565034705.db2.gz SRGNDJYYLSLDHB-UKRRQHHQSA-N 1 0 394.313 2.818 20 0 GFADRO C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)N1CCC[N@@H+]([C@@H](C)CO)CC1 ZINC000470049629 565036461 /nfs/dbraw/zinc/03/64/61/565036461.db2.gz GGNHBIVEIFSCLD-STQMWFEESA-N 1 0 375.296 2.676 20 0 GFADRO C[C@H](Oc1cccc(Br)c1)C(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000470067112 565037151 /nfs/dbraw/zinc/03/71/51/565037151.db2.gz QPUJAXRTAYNNCE-GJZGRUSLSA-N 1 0 399.329 2.834 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)N1CCN(Cc2ccc(Cl)s2)CC1 ZINC000504310408 565037884 /nfs/dbraw/zinc/03/78/84/565037884.db2.gz STTBXFHCJFTSJQ-CABCVRRESA-N 1 0 382.961 2.856 20 0 GFADRO CNC(=O)[C@H]1CCC[C@@H]1[NH2+]Cc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000536552561 565039739 /nfs/dbraw/zinc/03/97/39/565039739.db2.gz AHFBDKMLIWAVRV-KBPBESRZSA-N 1 0 377.286 2.844 20 0 GFADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H](C)Cc1ccccc1Br ZINC000470178113 565040659 /nfs/dbraw/zinc/04/06/59/565040659.db2.gz XAQMUMYIWHOEDW-GOEBONIOSA-N 1 0 398.345 2.790 20 0 GFADRO C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+][C@H]1CCC[C@H]1CNS(C)(=O)=O ZINC000504560536 565041252 /nfs/dbraw/zinc/04/12/52/565041252.db2.gz HLSRNCLEYBRWRL-INWMFGNUSA-N 1 0 378.460 2.944 20 0 GFADRO CC[NH2+]CCCNC(=O)Nc1nnc(-c2cccc(Br)c2)s1 ZINC000562758906 565041469 /nfs/dbraw/zinc/04/14/69/565041469.db2.gz SYLAJCZANQPRAM-UHFFFAOYSA-N 1 0 384.303 3.089 20 0 GFADRO C[C@H](c1cccc(Br)c1)N1CC(=O)N(CCc2cn(C)cn2)C1=O ZINC000562830410 565044740 /nfs/dbraw/zinc/04/47/40/565044740.db2.gz DSNVUFYKNVIIDK-GFCCVEGCSA-N 1 0 391.269 2.751 20 0 GFADRO C[NH+](C)[C@]1(CNc2cc(Br)cc(F)c2C(N)=O)CCSC1 ZINC000536685544 565045308 /nfs/dbraw/zinc/04/53/08/565045308.db2.gz YAUQVPMWQGIBFN-AWEZNQCLSA-N 1 0 376.295 2.536 20 0 GFADRO CN(C)S(=O)(=O)N1CCCC[C@@H]1C[NH2+]Cc1cscc1C(F)(F)F ZINC000562904698 565047029 /nfs/dbraw/zinc/04/70/29/565047029.db2.gz LRWFEVDAVMIJEA-GFCCVEGCSA-N 1 0 385.477 2.517 20 0 GFADRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+][C@@H](C)CC(=O)Nc1cccc(Br)c1 ZINC000536833858 565048194 /nfs/dbraw/zinc/04/81/94/565048194.db2.gz PGZBDDKPGJUETK-NILFDRSVSA-N 1 0 382.302 2.671 20 0 GFADRO CN(Cc1csc(Br)c1)C(=O)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000562960045 565049371 /nfs/dbraw/zinc/04/93/71/565049371.db2.gz JMJVFGAGSWRQNV-ZDUSSCGKSA-N 1 0 383.315 2.904 20 0 GFADRO CN(CC(C)(C)C[NH3+])C(=O)c1ncc(Br)cc1Br ZINC000562971961 565050145 /nfs/dbraw/zinc/05/01/45/565050145.db2.gz RPGZUYARSFPVKU-UHFFFAOYSA-N 1 0 379.096 2.664 20 0 GFADRO CCN(CC)S(=O)(=O)c1ccc(CC[NH2+]CC2(O)CCC(C)CC2)s1 ZINC000562983827 565050830 /nfs/dbraw/zinc/05/08/30/565050830.db2.gz FNIWSYNFYSFMMQ-UHFFFAOYSA-N 1 0 388.599 2.852 20 0 GFADRO CC(C)OCC[C@H](O)C[NH2+][C@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000563003468 565051466 /nfs/dbraw/zinc/05/14/66/565051466.db2.gz UELIHLQYQYSVMX-ZFWWWQNUSA-N 1 0 375.296 2.864 20 0 GFADRO COc1ccc(Cl)cc1[C@H](CC(C)C)[NH2+]CC1(O)CCS(=O)(=O)CC1 ZINC000537114485 565053100 /nfs/dbraw/zinc/05/31/00/565053100.db2.gz SXIFPVWPGQIBGD-INIZCTEOSA-N 1 0 389.945 2.965 20 0 GFADRO C[NH+](C)CCN1C[C@H](C(=O)NC2(c3c(Cl)cccc3Cl)CC2)CC1=O ZINC000470734896 565054019 /nfs/dbraw/zinc/05/40/19/565054019.db2.gz VZZFGHUFZIQRBO-GFCCVEGCSA-N 1 0 384.307 2.509 20 0 GFADRO C[C@@H]1[NH2+]CC[C@@H]1C(=O)NCC1(c2cccc(Br)c2)CCOCC1 ZINC000563064991 565054288 /nfs/dbraw/zinc/05/42/88/565054288.db2.gz YLOIVAMUWXEYSR-BBRMVZONSA-N 1 0 381.314 2.612 20 0 GFADRO C[C@@H](CN(C)C(=O)[C@@H]1C[N@@H+]2CCN1CCC2)Oc1ccc(Cl)c(Cl)c1 ZINC000470731094 565054333 /nfs/dbraw/zinc/05/43/33/565054333.db2.gz CACKCBQILIWBGB-GUYCJALGSA-N 1 0 386.323 2.609 20 0 GFADRO C[C@@H](CNS(=O)(=O)Cc1ccc(Br)cc1)[N@@H+]1CCC[C@H](C)C1 ZINC000470753483 565054652 /nfs/dbraw/zinc/05/46/52/565054652.db2.gz BSUYVVZGNSXCHM-KBPBESRZSA-N 1 0 389.359 2.989 20 0 GFADRO O=C1N[C@@]2(CCC[NH2+]C2)C(=O)N1Cc1nc(-c2ccccc2Cl)cs1 ZINC000563080606 565055462 /nfs/dbraw/zinc/05/54/62/565055462.db2.gz KZTYGAPXQKLBDV-QGZVFWFLSA-N 1 0 376.869 2.638 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]1C1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC000563129117 565056556 /nfs/dbraw/zinc/05/65/56/565056556.db2.gz ACUVRSTVDJFPLF-KGLIPLIRSA-N 1 0 379.309 2.510 20 0 GFADRO O=C(CC[N@H+]1CCCN(c2ccc(Cl)c(Cl)c2)CC1)N1CCOCC1 ZINC000537291893 565056706 /nfs/dbraw/zinc/05/67/06/565056706.db2.gz YRXJBVBNYHGELP-UHFFFAOYSA-N 1 0 386.323 2.754 20 0 GFADRO C[C@@]1(F)C[NH2+]CCN(CCC(=O)Nc2ccc(Br)cc2F)C1 ZINC000563153642 565057410 /nfs/dbraw/zinc/05/74/10/565057410.db2.gz CAFXIPFGTYLLDM-OAHLLOKOSA-N 1 0 376.245 2.550 20 0 GFADRO CS[C@H]1CN(C(=O)c2cnn(C(C)(C)C)c2C(F)(F)F)C[C@H]1[NH+](C)C ZINC000537923895 565064450 /nfs/dbraw/zinc/06/44/50/565064450.db2.gz BGDZZKIBWGKXOV-NEPJUHHUSA-N 1 0 378.464 2.775 20 0 GFADRO C[C@@H](O)C[N@@H+]1CCN(C(=O)Cc2c(Cl)cccc2Br)[C@@H](C)C1 ZINC000613654362 565076795 /nfs/dbraw/zinc/07/67/95/565076795.db2.gz AWEDQKSGJMYOKO-NWDGAFQWSA-N 1 0 389.721 2.559 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)c1cc(=O)c2cc(Br)ccc2[nH]1 ZINC000613660508 565077137 /nfs/dbraw/zinc/07/71/37/565077137.db2.gz LPLCNUIXDUCLHN-UKRRQHHQSA-N 1 0 378.270 2.503 20 0 GFADRO CC(=O)NCCN(Cc1ccc(Cl)cc1Cl)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000635897892 565080871 /nfs/dbraw/zinc/08/08/71/565080871.db2.gz HILRCCZEFHJHHY-AWEZNQCLSA-N 1 0 386.323 2.800 20 0 GFADRO O=S(=O)(N[C@@H]1CC[N@@H+](C2CCCCC2)C1)c1cnccc1C(F)(F)F ZINC000657161770 565081248 /nfs/dbraw/zinc/08/12/48/565081248.db2.gz RSLWCDYXBJMYTK-GFCCVEGCSA-N 1 0 377.432 2.786 20 0 GFADRO O=S(=O)(N[C@H]1CC[N@@H+](C2CCCCC2)C1)c1cnccc1C(F)(F)F ZINC000657161771 565081410 /nfs/dbraw/zinc/08/14/10/565081410.db2.gz RSLWCDYXBJMYTK-LBPRGKRZSA-N 1 0 377.432 2.786 20 0 GFADRO CC[N@H+]1C[C@@H](C)N(C(=O)[C@@H]2CC(=O)Nc3ccc(Br)cc32)[C@@H](C)C1 ZINC000584493206 565084490 /nfs/dbraw/zinc/08/44/90/565084490.db2.gz LIDUHRWJCNMEFI-TYNCELHUSA-N 1 0 394.313 2.816 20 0 GFADRO CC[C@@H]1C[N@H+](C)CCCN1C(=O)Cc1cc2c(cc1Br)OCCO2 ZINC000684862662 565086597 /nfs/dbraw/zinc/08/65/97/565086597.db2.gz GDAKWTFHQGMYRI-CQSZACIVSA-N 1 0 397.313 2.706 20 0 GFADRO CS[C@H]1CN(c2nc(N(C)C)cc(C(F)(F)F)n2)C[C@@H]1[NH+]1CCCC1 ZINC000613916444 565086667 /nfs/dbraw/zinc/08/66/67/565086667.db2.gz QWGICWOOKSTBNT-RYUDHWBXSA-N 1 0 375.464 2.577 20 0 GFADRO CCN(CC[C@H]1CC[NH2+]C1)S(=O)(=O)c1ccc(Br)c(C)c1 ZINC000584585441 565089639 /nfs/dbraw/zinc/08/96/39/565089639.db2.gz DVZYVLRTSSFFDO-CYBMUJFWSA-N 1 0 375.332 2.768 20 0 GFADRO CO[C@@H]1C[C@@H]([NH2+]Cc2cc(=O)n3cc(Br)ccc3n2)C12CCC2 ZINC000657233442 565091683 /nfs/dbraw/zinc/09/16/83/565091683.db2.gz IYMQFZBNNMFEOG-ZIAGYGMSSA-N 1 0 378.270 2.504 20 0 GFADRO CCOc1ncccc1C[NH2+]C[C@H](O)COc1cccc(Br)c1 ZINC000584715053 565093787 /nfs/dbraw/zinc/09/37/87/565093787.db2.gz CULCKSQTAZVJAG-HNNXBMFYSA-N 1 0 381.270 2.772 20 0 GFADRO O=C(NCCC[NH2+]Cc1cnn2c1CCC2)c1cccc(Br)c1 ZINC000657341522 565097219 /nfs/dbraw/zinc/09/72/19/565097219.db2.gz CVXPNBNOCIQMCM-UHFFFAOYSA-N 1 0 377.286 2.502 20 0 GFADRO C[NH+](C)CCC[C@H]1CN(C(=O)c2cc(F)c(Cl)c(N)c2Cl)CCO1 ZINC000636233662 565100077 /nfs/dbraw/zinc/10/00/77/565100077.db2.gz XVXPITXTVRLKIP-JTQLQIEISA-N 1 0 378.275 2.898 20 0 GFADRO Cc1nc(-c2cccs2)c(CC(=O)NCCC[N@@H+](C)CCN(C)C)s1 ZINC000685200597 565100604 /nfs/dbraw/zinc/10/06/04/565100604.db2.gz DFGFCGVWYADCRP-UHFFFAOYSA-N 1 0 380.583 2.722 20 0 GFADRO Cc1cc(N2CC[C@@H]([NH2+]Cc3cnn4c3CCC4)C2=O)ccc1Br ZINC000657438588 565100929 /nfs/dbraw/zinc/10/09/29/565100929.db2.gz ZPGXSMHPICZMKY-MRXNPFEDSA-N 1 0 389.297 2.795 20 0 GFADRO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)c1cc(Br)cc2[nH]c(=O)[nH]c21 ZINC000614209884 565101164 /nfs/dbraw/zinc/10/11/64/565101164.db2.gz UEOUKVBDOOGXDN-CYBMUJFWSA-N 1 0 395.301 2.881 20 0 GFADRO COCC[NH2+]C1CCN(Cc2nc(-c3cccc(Br)c3)no2)CC1 ZINC000584843695 565101488 /nfs/dbraw/zinc/10/14/88/565101488.db2.gz PLMVFJAXNILJRI-UHFFFAOYSA-N 1 0 395.301 2.700 20 0 GFADRO C[NH+](C)CCN(Cc1ccccc1F)S(=O)(=O)C[C@@H]1CCC(F)(F)C1 ZINC000685294911 565103267 /nfs/dbraw/zinc/10/32/67/565103267.db2.gz PECJRMHRUISNPY-CQSZACIVSA-N 1 0 378.460 2.955 20 0 GFADRO Brc1cnn(CCC[NH2+]Cc2ccc(O[C@H]3CCOC3)cc2)c1 ZINC000657466145 565103629 /nfs/dbraw/zinc/10/36/29/565103629.db2.gz BTFGJYVYTXZCJG-KRWDZBQOSA-N 1 0 380.286 2.993 20 0 GFADRO CSc1c(F)cccc1NC(=O)C(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000657507155 565104669 /nfs/dbraw/zinc/10/46/69/565104669.db2.gz DOPVEGBXDUOIFD-CYBMUJFWSA-N 1 0 381.498 2.967 20 0 GFADRO CC[C@H]1C[N@H+](C)CCCN1S(=O)(=O)Cc1ccc(OC(F)(F)F)cc1 ZINC000685510154 565108992 /nfs/dbraw/zinc/10/89/92/565108992.db2.gz QIASYNRETACLNH-AWEZNQCLSA-N 1 0 380.432 2.831 20 0 GFADRO O[C@@H]1CC[N@H+](Cc2ccc(CNCc3c(F)cncc3Br)cc2)C1 ZINC000657596187 565111245 /nfs/dbraw/zinc/11/12/45/565111245.db2.gz MBSGPENSBIEISZ-OAHLLOKOSA-N 1 0 394.288 2.840 20 0 GFADRO C[C@H](NC[C@@H](O)C[N@H+](C)C1CC1)c1nc(-c2ccc(Br)cc2)no1 ZINC000685573042 565112871 /nfs/dbraw/zinc/11/28/71/565112871.db2.gz IAGGSDMFGGWPRZ-XHDPSFHLSA-N 1 0 395.301 2.605 20 0 GFADRO O=c1c(Br)cccn1C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000685581282 565113448 /nfs/dbraw/zinc/11/34/48/565113448.db2.gz OFTBSMVQGYJVIN-MRXNPFEDSA-N 1 0 377.282 2.902 20 0 GFADRO CN(C)S(=O)(=O)CC[NH2+][C@H](c1ccc(Br)cc1F)C1CC1 ZINC000685666252 565118125 /nfs/dbraw/zinc/11/81/25/565118125.db2.gz JBMDNDBUDOFAOF-AWEZNQCLSA-N 1 0 379.295 2.520 20 0 GFADRO C[C@H](NC(=O)NCC1CC[NH+](Cc2cccs2)CC1)[C@@H](O)C(F)(F)F ZINC000636676838 565119691 /nfs/dbraw/zinc/11/96/91/565119691.db2.gz CXEIWACLUGUPQM-SMDDNHRTSA-N 1 0 379.448 2.571 20 0 GFADRO Cc1c(F)c(Br)ccc1NC(=O)C(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000657723269 565123013 /nfs/dbraw/zinc/12/30/13/565123013.db2.gz QLVREMYJZDFDHZ-KOLCDFICSA-N 1 0 398.276 2.577 20 0 GFADRO CCCN(CC[NH+](C)C)C(=O)C1(c2cccc(Br)c2)CC(=O)C1 ZINC000685804764 565123250 /nfs/dbraw/zinc/12/32/50/565123250.db2.gz FZNLPCZMODBXIC-UHFFFAOYSA-N 1 0 381.314 2.850 20 0 GFADRO CSc1ccc(Cl)c(NC(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c1 ZINC000657738271 565124560 /nfs/dbraw/zinc/12/45/60/565124560.db2.gz PBMNTOGOGKHPLQ-WBMJQRKESA-N 1 0 381.929 2.943 20 0 GFADRO CN1C[C@@H](NC(=O)N[C@@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)CCC1=O ZINC000636819338 565126154 /nfs/dbraw/zinc/12/61/54/565126154.db2.gz SFYQCHTYJBZGGQ-WFASDCNBSA-N 1 0 387.311 2.516 20 0 GFADRO COc1ccc(C[NH2+]C[C@H]2CC(=O)N(C(C)(C)C)C2)c(Br)c1O ZINC000657754399 565127268 /nfs/dbraw/zinc/12/72/68/565127268.db2.gz WCKJRWBJTIPYLE-LLVKDONJSA-N 1 0 385.302 2.900 20 0 GFADRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1cc(Br)cc2[nH]c(=O)[nH]c21 ZINC000614724972 565130183 /nfs/dbraw/zinc/13/01/83/565130183.db2.gz OPBLUOQEKWBESX-CMPLNLGQSA-N 1 0 393.285 2.730 20 0 GFADRO CC[C@@H](Cc1ccc(Br)cc1)[NH2+]C1CCN(S(C)(=O)=O)CC1 ZINC000657830654 565132502 /nfs/dbraw/zinc/13/25/02/565132502.db2.gz MNIVOWVQJOYCIN-HNNXBMFYSA-N 1 0 389.359 2.784 20 0 GFADRO CNC(=O)CN1CCC([NH2+][C@H](C)c2ccc(Br)c(Cl)c2)CC1 ZINC000657833551 565132579 /nfs/dbraw/zinc/13/25/79/565132579.db2.gz HFSFLYNWXOUWNZ-LLVKDONJSA-N 1 0 388.737 2.964 20 0 GFADRO C[C@H](Cn1cncn1)[NH2+]CC1(c2ccc(Br)cc2)CCOCC1 ZINC000657863448 565133639 /nfs/dbraw/zinc/13/36/39/565133639.db2.gz FXBFJHHOXAOISR-CQSZACIVSA-N 1 0 379.302 2.767 20 0 GFADRO C[C@@H](Cn1cncn1)[NH2+]C1CCN(Cc2ccc(Br)cc2)CC1 ZINC000657907440 565135826 /nfs/dbraw/zinc/13/58/26/565135826.db2.gz LZTMDGLCANGZMK-AWEZNQCLSA-N 1 0 378.318 2.683 20 0 GFADRO C[C@@H](NC(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1)c1ncnn1C ZINC000637080863 565138095 /nfs/dbraw/zinc/13/80/95/565138095.db2.gz SASLPKIZSFEILJ-QMTHXVAHSA-N 1 0 385.299 2.785 20 0 GFADRO COC(=O)[C@@H](c1cc(Cl)cc(Cl)c1)N1CC[N@H+](CCO)C(C)(C)C1 ZINC000614924048 565138766 /nfs/dbraw/zinc/13/87/66/565138766.db2.gz ZCASJSOJNQWKKX-OAHLLOKOSA-N 1 0 375.296 2.596 20 0 GFADRO C[C@@H]1COCC[N@@H+]1C1CCN(C(=O)Cc2ccc(Br)cc2F)CC1 ZINC000615086463 565144228 /nfs/dbraw/zinc/14/42/28/565144228.db2.gz FKSNLIYLEJNRSH-CYBMUJFWSA-N 1 0 399.304 2.842 20 0 GFADRO COCC[N@H+](C)CCNC(=O)COc1ccc2cc(Br)ccc2c1 ZINC000588932960 565144984 /nfs/dbraw/zinc/14/49/84/565144984.db2.gz UPBPLOMTTKCCJD-UHFFFAOYSA-N 1 0 395.297 2.676 20 0 GFADRO COCC[N@H+](C)CCNC(=O)c1[nH]c2ccc(Br)cc2c1Cl ZINC000588933017 565145200 /nfs/dbraw/zinc/14/52/00/565145200.db2.gz VJJZRNLUCQAAKO-UHFFFAOYSA-N 1 0 388.693 2.892 20 0 GFADRO O=C(NC[C@@H]1CCC[NH2+]C1)N1CCc2[nH]c3ccc(Br)cc3c2C1 ZINC000637227139 565145751 /nfs/dbraw/zinc/14/57/51/565145751.db2.gz FRMVOSOTDMBSJO-GFCCVEGCSA-N 1 0 391.313 2.998 20 0 GFADRO CC(C)[C@@H]([NH2+][C@@H]1CCN(S(C)(=O)=O)C1)c1cc(F)cc(Br)c1 ZINC000658048212 565148116 /nfs/dbraw/zinc/14/81/16/565148116.db2.gz WNNMXDYPYHXRCB-HUUCEWRRSA-N 1 0 393.322 2.909 20 0 GFADRO CC(C)[C@H](Cc1ccc(Br)cc1)[NH2+][C@H]1CCN(S(C)(=O)=O)C1 ZINC000658047055 565148137 /nfs/dbraw/zinc/14/81/37/565148137.db2.gz ORKAEVMWCGBGIO-HOTGVXAUSA-N 1 0 389.359 2.640 20 0 GFADRO C[C@H]([NH2+]CCC1(CS(C)(=O)=O)CC1)c1ncc(Br)cc1F ZINC000658081807 565148939 /nfs/dbraw/zinc/14/89/39/565148939.db2.gz UDMQPPNVIWEJRP-JTQLQIEISA-N 1 0 379.295 2.849 20 0 GFADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]Cc1cnc(C(F)(F)F)nc1 ZINC000658081351 565149055 /nfs/dbraw/zinc/14/90/55/565149055.db2.gz DBDRRRPKCGIGEB-SECBINFHSA-N 1 0 391.191 2.598 20 0 GFADRO C[C@@H](C[NH2+][C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1)c1ccccn1 ZINC000658067835 565149589 /nfs/dbraw/zinc/14/95/89/565149589.db2.gz ZMENJLFPUKKXQB-RYUDHWBXSA-N 1 0 398.326 2.946 20 0 GFADRO Cc1ccc(NC(=O)C(=O)NC[C@H]2CC[N@@H+](C(C)(C)C)C2)cc1Br ZINC000658118908 565150640 /nfs/dbraw/zinc/15/06/40/565150640.db2.gz IWKNYCLHMDVRFM-CYBMUJFWSA-N 1 0 396.329 2.933 20 0 GFADRO OCCO[C@@]1(C[NH2+][C@H](c2ccc(Br)cc2F)C2CC2)CCOC1 ZINC000658143275 565152129 /nfs/dbraw/zinc/15/21/29/565152129.db2.gz HBDDCZYRKCMFPX-DLBZAZTESA-N 1 0 388.277 2.797 20 0 GFADRO CC1(C)C[C@@H]([NH2+]C[C@@]2(OCCO)CCOC2)c2cc(Br)ccc21 ZINC000658144082 565153504 /nfs/dbraw/zinc/15/35/04/565153504.db2.gz KMMKNNSWMFUZEB-AEFFLSMTSA-N 1 0 384.314 2.929 20 0 GFADRO OCCO[C@@]1(C[NH2+][C@H](Cc2ccccc2Br)C2CC2)CCOC1 ZINC000658147270 565153558 /nfs/dbraw/zinc/15/35/58/565153558.db2.gz YEPXIOOMCOVRCD-QZTJIDSGSA-N 1 0 384.314 2.528 20 0 GFADRO C[C@H]([NH2+]C[C@@]1(OCCO)CCOC1)c1ccc(Br)c(Cl)c1 ZINC000658147393 565153586 /nfs/dbraw/zinc/15/35/86/565153586.db2.gz ZTGKUSPDANLZFN-NHYWBVRUSA-N 1 0 378.694 2.921 20 0 GFADRO Cc1ccc(Br)cc1CC(=O)N1CCOC[C@H]1[C@@H]1CCC[N@H+]1C ZINC000615275687 565154069 /nfs/dbraw/zinc/15/40/69/565154069.db2.gz NKCCRKWCELTAIM-IRXDYDNUSA-N 1 0 381.314 2.622 20 0 GFADRO C[C@H]([NH2+]CCO[C@@H]1CC1(F)F)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000658171411 565154505 /nfs/dbraw/zinc/15/45/05/565154505.db2.gz YLXGOAAXLSVACO-JVXZTZIISA-N 1 0 389.251 2.716 20 0 GFADRO C[C@H](Oc1ccc(Br)cc1)C(=O)N1CCOC[C@H]1[C@H]1CCC[N@@H+]1C ZINC000615265699 565155310 /nfs/dbraw/zinc/15/53/10/565155310.db2.gz JPYIAZXUWLUHJC-XKQJLSEDSA-N 1 0 397.313 2.538 20 0 GFADRO O=S1(=O)CC[C@@H]([NH2+]C[C@H](CO)CC2CC2)c2cc(Br)ccc21 ZINC000658252513 565155621 /nfs/dbraw/zinc/15/56/21/565155621.db2.gz LHZJLWVVQVESIE-IUODEOHRSA-N 1 0 388.327 2.666 20 0 GFADRO CN1CC[NH+](CC2CN(C(=O)[C@@H]3C[C@H]3c3ccc(Cl)c(Cl)c3)C2)CC1 ZINC000615278317 565156550 /nfs/dbraw/zinc/15/65/50/565156550.db2.gz DMKNTWBAYJPEFG-JKSUJKDBSA-N 1 0 382.335 2.803 20 0 GFADRO C[NH+](C)C[C@@H](NC(=O)N[C@H]1Cc2cncn2C1)c1ccc(Cl)c(Cl)c1 ZINC000637474176 565158781 /nfs/dbraw/zinc/15/87/81/565158781.db2.gz XCWFUJJQWJSLCU-BLLLJJGKSA-N 1 0 382.295 2.717 20 0 GFADRO C[NH+]1CCN(Cc2ccc(NC(=O)c3ccc(Br)cn3)cc2)CC1 ZINC000589310245 565159773 /nfs/dbraw/zinc/15/97/73/565159773.db2.gz MORGSYWBXLDBAQ-UHFFFAOYSA-N 1 0 389.297 2.844 20 0 GFADRO [NH3+]CCCNS(=O)(=O)c1ccc(OCc2ccccc2)c(Br)c1 ZINC000658359565 565160929 /nfs/dbraw/zinc/16/09/29/565160929.db2.gz BNXZMWHAKUBEBO-UHFFFAOYSA-N 1 0 399.310 2.655 20 0 GFADRO C[NH2+]CCNS(=O)(=O)c1ccc(OCc2ccccc2)c(Br)c1 ZINC000658365282 565161834 /nfs/dbraw/zinc/16/18/34/565161834.db2.gz MZOPJIRHAYVNRH-UHFFFAOYSA-N 1 0 399.310 2.526 20 0 GFADRO C[C@H](C[NH3+])NS(=O)(=O)c1ccc(OCc2ccccc2)c(Br)c1 ZINC000658374081 565163136 /nfs/dbraw/zinc/16/31/36/565163136.db2.gz PJZYTDQTHMZDGK-GFCCVEGCSA-N 1 0 399.310 2.654 20 0 GFADRO O=S(=O)(c1cc(Cl)ccc1OC(F)(F)F)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000658380298 565164693 /nfs/dbraw/zinc/16/46/93/565164693.db2.gz MWSFYKHRJQTEAG-MWLCHTKSSA-N 1 0 384.807 2.611 20 0 GFADRO COC(C)(C)c1nc(C)c(C(=O)N2C[C@@H](SC)[C@H]([NH+]3CCCC3)C2)s1 ZINC000589487354 565165427 /nfs/dbraw/zinc/16/54/27/565165427.db2.gz XGTDNXTXVZPUKV-ZIAGYGMSSA-N 1 0 383.583 2.985 20 0 GFADRO O=S(=O)(c1sccc1Br)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000658384938 565165705 /nfs/dbraw/zinc/16/57/05/565165705.db2.gz PBDFIEFYPVFYGM-LBPRGKRZSA-N 1 0 393.372 2.911 20 0 GFADRO [NH3+]CCC[C@@H](NS(=O)(=O)c1ncccc1Br)c1ccccc1 ZINC000658382040 565166133 /nfs/dbraw/zinc/16/61/33/565166133.db2.gz YWRFAQOENZNCCK-CQSZACIVSA-N 1 0 384.299 2.603 20 0 GFADRO O=C(NCC[C@H]1CC[NH2+]C1)N1CCc2[nH]c3c(cccc3Br)c2C1 ZINC000637670959 565168323 /nfs/dbraw/zinc/16/83/23/565168323.db2.gz RHIMEWDBUMAWNS-GFCCVEGCSA-N 1 0 391.313 2.998 20 0 GFADRO CCN(C(=O)C(=O)Nc1cc(C)ccc1Br)[C@@H]1CC[N@H+](CC)C1 ZINC000658469293 565171684 /nfs/dbraw/zinc/17/16/84/565171684.db2.gz YXGQDQLUHXBAMH-CYBMUJFWSA-N 1 0 382.302 2.639 20 0 GFADRO COc1cc(C(=O)NCCC[NH2+]Cc2cccnc2)ccc1Br ZINC000637807006 565173736 /nfs/dbraw/zinc/17/37/36/565173736.db2.gz PVCIHHAMMKCKKV-UHFFFAOYSA-N 1 0 378.270 2.762 20 0 GFADRO COc1cccc(C[C@H]([NH3+])C(=O)N2CCc3c(Br)cccc3C2)c1 ZINC000637970837 565178373 /nfs/dbraw/zinc/17/83/73/565178373.db2.gz WATFAIOPFNORED-SFHVURJKSA-N 1 0 389.293 2.912 20 0 GFADRO C[C@@H](NC(=O)[C@@H]1OCC[C@@H]1[NH3+])c1nc(-c2ccc(Br)cc2)cs1 ZINC000638031958 565181609 /nfs/dbraw/zinc/18/16/09/565181609.db2.gz BVFNADIOVXAYMQ-LJWDBELGSA-N 1 0 396.310 2.866 20 0 GFADRO CCC(=O)N1CSC[C@@H]1C(=O)N(CC[NH+](C)C)Cc1cccc(Cl)c1 ZINC000590270778 565182903 /nfs/dbraw/zinc/18/29/03/565182903.db2.gz BUOOHZTWRBBXPT-MRXNPFEDSA-N 1 0 383.945 2.542 20 0 GFADRO O=C(c1ccc2cncc(Br)c2n1)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000638141995 565186678 /nfs/dbraw/zinc/18/66/78/565186678.db2.gz ADIWUUUWPJBLAH-UKRRQHHQSA-N 1 0 389.297 2.997 20 0 GFADRO [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)c1cc(Cl)cc(Cl)c1F ZINC000638208692 565188924 /nfs/dbraw/zinc/18/89/24/565188924.db2.gz GKMIZDKLUHIUJT-LLVKDONJSA-N 1 0 376.259 2.592 20 0 GFADRO C[C@H](CCCC[NH3+])NC(=O)[C@@H]1CCC(=O)N1Cc1ccc(Br)cc1 ZINC000638242080 565190147 /nfs/dbraw/zinc/19/01/47/565190147.db2.gz ARQPGJNMQFEQCD-CJNGLKHVSA-N 1 0 396.329 2.574 20 0 GFADRO [NH3+]CC[C@H](NC(=O)[C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21)C(F)(F)F ZINC000638269090 565190253 /nfs/dbraw/zinc/19/02/53/565190253.db2.gz UVZIVXITSCUWCB-LPTSXCQYSA-N 1 0 377.204 2.731 20 0 GFADRO Cc1cccc(CC(=O)N2C[C@H](C[NH3+])C3(C2)CCOCC3)c1Br ZINC000638260719 565190307 /nfs/dbraw/zinc/19/03/07/565190307.db2.gz BHNGLSPINUJRFB-HNNXBMFYSA-N 1 0 381.314 2.514 20 0 GFADRO C[NH+](C)[C@@H]1CCN(C(=O)NCCNc2ncc(C(F)(F)F)cc2Cl)C1 ZINC000590519632 565190734 /nfs/dbraw/zinc/19/07/34/565190734.db2.gz TXJBBZPODDHWQX-LLVKDONJSA-N 1 0 379.814 2.511 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+]C2(c3ccc(Br)cc3)CC2)cc1 ZINC000638305639 565190912 /nfs/dbraw/zinc/19/09/12/565190912.db2.gz DMUGEETZXANGDL-UHFFFAOYSA-N 1 0 381.295 2.875 20 0 GFADRO [NH3+]C[C@@]1(C(=O)N2CCC(Oc3cccc(Br)c3)CC2)CCCOC1 ZINC000638302817 565191012 /nfs/dbraw/zinc/19/10/12/565191012.db2.gz SQTIRGWOLIYTMZ-SFHVURJKSA-N 1 0 397.313 2.574 20 0 GFADRO CC(C)C(=O)NCC[NH2+][C@H]1CCN(C)[C@@H](c2ccc(Br)cc2)C1 ZINC000638299269 565191714 /nfs/dbraw/zinc/19/17/14/565191714.db2.gz WVJPDOKEQXLOEX-DLBZAZTESA-N 1 0 382.346 2.946 20 0 GFADRO CC(C)(C)C(=O)N1CCC([NH2+]Cc2cnn3cc(Br)cnc23)CC1 ZINC000638364299 565194366 /nfs/dbraw/zinc/19/43/66/565194366.db2.gz FXRUAJGPWKNZOO-UHFFFAOYSA-N 1 0 394.317 2.619 20 0 GFADRO C[C@H](NC(=O)c1ccc(I)cc1F)C1CC[NH+](C)CC1 ZINC000590638223 565194676 /nfs/dbraw/zinc/19/46/76/565194676.db2.gz GFTFJGBREGKEPF-JTQLQIEISA-N 1 0 390.240 2.890 20 0 GFADRO COc1nsc(C[NH2+]C[C@H](CO)Cc2ccc(F)cc2)c1Br ZINC000638415238 565195011 /nfs/dbraw/zinc/19/50/11/565195011.db2.gz YEKCTAJDJHUIJA-LLVKDONJSA-N 1 0 389.290 2.994 20 0 GFADRO CO[C@H](C[NH2+]C[C@H](O)COc1cccc(Cl)c1Cl)C1CCOCC1 ZINC000638424951 565196261 /nfs/dbraw/zinc/19/62/61/565196261.db2.gz CWBMCQKDAQGTCR-XJKSGUPXSA-N 1 0 378.296 2.764 20 0 GFADRO C[C@@H]1CCN(C(=O)CCc2nc(-c3cc(Br)cs3)no2)C[C@@H]1[NH3+] ZINC000658972306 565197171 /nfs/dbraw/zinc/19/71/71/565197171.db2.gz QMGFGYVLTFOXCS-KOLCDFICSA-N 1 0 399.314 2.689 20 0 GFADRO O=C(NCC12CC(C1)C[NH2+]2)Nc1cc(Br)ccc1N1CCCC1 ZINC000659006006 565197999 /nfs/dbraw/zinc/19/79/99/565197999.db2.gz XFYVCZPMTSBFMG-UHFFFAOYSA-N 1 0 379.302 2.923 20 0 GFADRO O=C1C[C@@H]([NH2+]CC2(c3ccc(Br)cc3)CCOCC2)CCCN1 ZINC000638482849 565198447 /nfs/dbraw/zinc/19/84/47/565198447.db2.gz WHTQXTOFNIPDLZ-INIZCTEOSA-N 1 0 381.314 2.756 20 0 GFADRO Cc1ccc(Cl)cc1N1CC[C@H](C[NH2+]Cc2ccc(S(N)(=O)=O)o2)C1 ZINC000638493522 565198831 /nfs/dbraw/zinc/19/88/31/565198831.db2.gz WTFUJXVWLJJHKR-CYBMUJFWSA-N 1 0 383.901 2.505 20 0 GFADRO [NH3+]CC[C@H](NC(=O)N1CCc2sc(Br)cc2C1)C(F)(F)F ZINC000659023766 565199256 /nfs/dbraw/zinc/19/92/56/565199256.db2.gz NXHKKSDTWICUKN-VIFPVBQESA-N 1 0 386.237 2.858 20 0 GFADRO C[NH2+]C[C@H](C)NC(=O)Nc1nnc(-c2cccc(OC(F)(F)F)c2)s1 ZINC000659013926 565199640 /nfs/dbraw/zinc/19/96/40/565199640.db2.gz USRSPFSCSGUSMU-QMMMGPOBSA-N 1 0 375.376 2.833 20 0 GFADRO C[C@H](CCCC[NH3+])NC(=O)C(=O)N1CC(C)(C)c2ccc(Br)cc21 ZINC000659084782 565200375 /nfs/dbraw/zinc/20/03/75/565200375.db2.gz OAWSVOYUGIICNL-GFCCVEGCSA-N 1 0 396.329 2.707 20 0 GFADRO CSc1cc(Cl)ccc1NC(=O)C(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000659084735 565200445 /nfs/dbraw/zinc/20/04/45/565200445.db2.gz MTIBPFIHZMZZSM-CYBMUJFWSA-N 1 0 381.929 2.849 20 0 GFADRO Cc1cc(Br)cc(Cl)c1NC(=O)C(=O)N(C)CC(C)(C)[NH3+] ZINC000659096678 565201928 /nfs/dbraw/zinc/20/19/28/565201928.db2.gz FOCXQTRXVSSZOD-UHFFFAOYSA-N 1 0 376.682 2.545 20 0 GFADRO C[C@@H](C(=O)N1CC[C@@H](Cc2cccc(I)c2)C1)[NH+](C)C ZINC000590774411 565203146 /nfs/dbraw/zinc/20/31/46/565203146.db2.gz IYXUSLJDHUIKJN-JSGCOSHPSA-N 1 0 386.277 2.632 20 0 GFADRO [NH3+]C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCCSc2ccc(Br)cc21 ZINC000638586215 565203359 /nfs/dbraw/zinc/20/33/59/565203359.db2.gz POUBSXYFXYGRAH-XBFCOCLRSA-N 1 0 385.327 2.856 20 0 GFADRO CCO[C@H]1C[C@]([NH3+])(C(=O)NCc2cc(F)c(Br)cc2F)C1(C)C ZINC000638600280 565203960 /nfs/dbraw/zinc/20/39/60/565203960.db2.gz UKNWFQKTFOMINP-BBRMVZONSA-N 1 0 391.256 2.876 20 0 GFADRO C[NH+](C)CC[C@H](N)C(=O)N[C@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC000638595601 565204290 /nfs/dbraw/zinc/20/42/90/565204290.db2.gz IUVKZHNPZCDPJC-HOCLYGCPSA-N 1 0 393.329 2.703 20 0 GFADRO C[NH2+]C[C@@H](C)NC(=O)NCc1cc(Br)ccc1Br ZINC000659483851 565218306 /nfs/dbraw/zinc/21/83/06/565218306.db2.gz KJRGEOWMWPVYFX-MRVPVSSYSA-N 1 0 379.096 2.619 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+][C@@H]2CCCN(c3ccccc3Cl)C2)s1 ZINC000638676328 565207216 /nfs/dbraw/zinc/20/72/16/565207216.db2.gz UAVWLMFLLSUVPY-GFCCVEGCSA-N 1 0 385.942 2.808 20 0 GFADRO C[C@H](C[NH2+]Cc1ccc(S(N)(=O)=O)cc1)Oc1cccc(Br)c1 ZINC000638705435 565208391 /nfs/dbraw/zinc/20/83/91/565208391.db2.gz AMAFHNITXVOBMB-GFCCVEGCSA-N 1 0 399.310 2.654 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCN(C)[C@@H](c2ccc(Br)cc2)C1)[C@H]1CN(C)CCO1 ZINC000638761661 565209454 /nfs/dbraw/zinc/20/94/54/565209454.db2.gz HQBIFHWTUXBZSW-JEDBISTDSA-N 1 0 396.373 2.893 20 0 GFADRO O=C(c1cc(I)ccc1Cl)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000590899978 565209716 /nfs/dbraw/zinc/20/97/16/565209716.db2.gz DCJGQPWNOCLDEI-UWVGGRQHSA-N 1 0 390.652 2.626 20 0 GFADRO CC[C@H](Cc1ccccc1Br)[NH2+]Cc1ccc(S(N)(=O)=O)o1 ZINC000638759228 565209697 /nfs/dbraw/zinc/20/96/97/565209697.db2.gz INTUADXFHDJURL-GFCCVEGCSA-N 1 0 387.299 2.800 20 0 GFADRO CO[C@@]1(C[NH2+][C@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)CCOC1 ZINC000638758885 565209723 /nfs/dbraw/zinc/20/97/23/565209723.db2.gz CKYDWFLMLKKYDM-SWLSCSKDSA-N 1 0 379.810 2.728 20 0 GFADRO CCOc1cc(Br)c(CC(=O)N[C@@H]2CC[NH2+][C@H]2C)cc1OCC ZINC000638771876 565210550 /nfs/dbraw/zinc/21/05/50/565210550.db2.gz VUHHTHSMASUUKG-SMDDNHRTSA-N 1 0 385.302 2.656 20 0 GFADRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)Cc1ccc(Br)c(Br)c1 ZINC000659309873 565211373 /nfs/dbraw/zinc/21/13/73/565211373.db2.gz ZVPKQBLXUVXNJY-TVQRCGJNSA-N 1 0 390.119 2.868 20 0 GFADRO C[NH+](C)CC1CCC(NC(=O)c2sc3c(c2Br)CNC3)CC1 ZINC000659319177 565212873 /nfs/dbraw/zinc/21/28/73/565212873.db2.gz OFGNEBSQJDEWAL-UHFFFAOYSA-N 1 0 386.359 2.964 20 0 GFADRO Cn1cc([C@@H](CO)[NH2+][C@H]2CCN(C)[C@H](c3ccc(Br)cc3)C2)cn1 ZINC000638814381 565213213 /nfs/dbraw/zinc/21/32/13/565213213.db2.gz YXNBUTFBFJPFPM-KSZLIROESA-N 1 0 393.329 2.641 20 0 GFADRO [NH3+][C@H](CCNC(=O)c1[nH]nc(C2CC2)c1Br)Cc1ccccc1 ZINC000638875795 565215870 /nfs/dbraw/zinc/21/58/70/565215870.db2.gz FAJMTMSMQQIWIZ-CYBMUJFWSA-N 1 0 377.286 2.740 20 0 GFADRO CN1CC[C@@H]([NH2+]CC(=O)NCC2CC2)C[C@@H]1c1ccc(Br)cc1 ZINC000638916345 565217791 /nfs/dbraw/zinc/21/77/91/565217791.db2.gz DJHKXRLEGSGGMH-IAGOWNOFSA-N 1 0 380.330 2.700 20 0 GFADRO O=C(c1cc(Cl)cc(Cl)c1)N1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638920881 565218153 /nfs/dbraw/zinc/21/81/53/565218153.db2.gz DRWIEQUTOSAGFJ-XHSDSOJGSA-N 1 0 382.291 2.561 20 0 GFADRO Cc1cc(COc2ccc(C(=O)N3C[C@@H]4C[C@H]3C[NH2+]4)cc2Br)on1 ZINC000638918582 565218258 /nfs/dbraw/zinc/21/82/58/565218258.db2.gz YLLNLBXGOBDVBT-STQMWFEESA-N 1 0 392.253 2.511 20 0 GFADRO Cc1nn(-c2ccc(C(=O)N3C[C@H]([NH3+])C[C@H]3C)cc2)c(C)c1Br ZINC000638936904 565218301 /nfs/dbraw/zinc/21/83/01/565218301.db2.gz FNNOOJKSMZIXFB-QMTHXVAHSA-N 1 0 377.286 2.813 20 0 GFADRO CC(C)[C@H]([NH3+])CCNC(=O)N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000659478648 565218444 /nfs/dbraw/zinc/21/84/44/565218444.db2.gz ASKDTHGZDAKBNI-HUUCEWRRSA-N 1 0 387.311 2.771 20 0 GFADRO [NH3+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)CC1 ZINC000638946743 565219035 /nfs/dbraw/zinc/21/90/35/565219035.db2.gz BQKZDCIDVZRPKJ-OBJOEFQTSA-N 1 0 384.307 2.980 20 0 GFADRO C[C@H](NC(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1)c1ncc(Br)cn1 ZINC000659495859 565219226 /nfs/dbraw/zinc/21/92/26/565219226.db2.gz IQVUZLUSMCSZJK-JSGCOSHPSA-N 1 0 396.333 2.721 20 0 GFADRO C[C@H](NC(=O)N1CCN(c2ccc(Br)cc2)CC1)[C@H]1CCC[NH2+]C1 ZINC000659513268 565219287 /nfs/dbraw/zinc/21/92/87/565219287.db2.gz XKFOCHIIBXXIEF-GJZGRUSLSA-N 1 0 395.345 2.669 20 0 GFADRO Cn1c(SCC(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)nnc1-c1cccs1 ZINC000617014429 565219638 /nfs/dbraw/zinc/21/96/38/565219638.db2.gz JGDCODKTNZMDRS-GFCCVEGCSA-N 1 0 379.555 2.625 20 0 GFADRO Cc1csc(C(=O)Nc2cc(N3CC[NH2+]CC3)ccn2)c1Br ZINC000638985214 565219739 /nfs/dbraw/zinc/21/97/39/565219739.db2.gz CQFPMEGZGHZZMB-UHFFFAOYSA-N 1 0 381.299 2.876 20 0 GFADRO [NH3+]C[C@H]1CC[C@H](NC(=O)CNC(=O)c2sc3ccccc3c2Cl)CC1 ZINC000638967249 565220462 /nfs/dbraw/zinc/22/04/62/565220462.db2.gz LJKMZUXAVFEFNG-HAQNSBGRSA-N 1 0 379.913 2.918 20 0 GFADRO Cc1cc(I)ccc1NC(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000591271974 565220787 /nfs/dbraw/zinc/22/07/87/565220787.db2.gz TYCCEIIRJICIDT-CYZMBNFOSA-N 1 0 385.249 2.801 20 0 GFADRO C[NH2+]C[C@@H](C)NC(=O)N(Cc1cccc(Br)c1)C1CCOCC1 ZINC000659641001 565221510 /nfs/dbraw/zinc/22/15/10/565221510.db2.gz PGFYBOWZXHFODD-CYBMUJFWSA-N 1 0 384.318 2.748 20 0 GFADRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)Nc3ccc(F)cc3I)C[C@H]12 ZINC000591288405 565222042 /nfs/dbraw/zinc/22/20/42/565222042.db2.gz CUSMGLADXQSUAS-UBHAPETDSA-N 1 0 389.212 2.631 20 0 GFADRO CCC(CC)(CNC(=O)C(=O)N(C)CCC[NH3+])c1ccc(Cl)c(Cl)c1 ZINC000659704886 565222084 /nfs/dbraw/zinc/22/20/84/565222084.db2.gz SIPISBYSKUPCJB-UHFFFAOYSA-N 1 0 388.339 2.975 20 0 GFADRO CC(C)(CNC(=O)C(=O)NCC1([NH3+])CCCC1)c1ccc(Cl)c(Cl)c1 ZINC000659697264 565222315 /nfs/dbraw/zinc/22/23/15/565222315.db2.gz WCBIZHFFKUQIEL-UHFFFAOYSA-N 1 0 386.323 2.775 20 0 GFADRO Cc1cc(Br)cn2cc(C[NH2+][C@@H](C)C[C@H]3CCCC(=O)N3)nc12 ZINC000639058658 565222836 /nfs/dbraw/zinc/22/28/36/565222836.db2.gz CZBDELSGCKUTGG-GXTWGEPZSA-N 1 0 379.302 2.942 20 0 GFADRO [NH3+]C[C@@H]1CCN(C(=O)COc2ccc(Br)cn2)c2ccccc21 ZINC000639063455 565223217 /nfs/dbraw/zinc/22/32/17/565223217.db2.gz GCEIBKKOEHTYRA-LBPRGKRZSA-N 1 0 376.254 2.702 20 0 GFADRO Cc1cc(Br)cn2cc(C[NH2+][C@H](C)C[C@H]3CCCC(=O)N3)nc12 ZINC000639058661 565223268 /nfs/dbraw/zinc/22/32/68/565223268.db2.gz CZBDELSGCKUTGG-TZMCWYRMSA-N 1 0 379.302 2.942 20 0 GFADRO COc1cc(I)ccc1NC(=O)N1CCC(C)([NH3+])CC1 ZINC000591308187 565223704 /nfs/dbraw/zinc/22/37/04/565223704.db2.gz LCNYPQMOPNXPGI-UHFFFAOYSA-N 1 0 389.237 2.645 20 0 GFADRO COC(=O)c1cc(NC(=O)N2CCC(C)([NH3+])CC2)c(C)cc1Br ZINC000591306880 565224042 /nfs/dbraw/zinc/22/40/42/565224042.db2.gz XRYCBZHIGQJVDX-UHFFFAOYSA-N 1 0 384.274 2.889 20 0 GFADRO COC[C@H](Cc1ccccc1)[N@H+](C)Cc1ccc(Cl)c(S(N)(=O)=O)c1 ZINC000639097078 565224568 /nfs/dbraw/zinc/22/45/68/565224568.db2.gz MRIKWJHBYKZMSN-INIZCTEOSA-N 1 0 382.913 2.677 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+][C@@H](c2cncc(Br)c2)C2CC2)cc1 ZINC000639145979 565228168 /nfs/dbraw/zinc/22/81/68/565228168.db2.gz AGGRABFVACCDOV-MRXNPFEDSA-N 1 0 396.310 2.732 20 0 GFADRO C[NH+](C)CCN(Cc1cccs1)Cc1ccc(S(N)(=O)=O)c(Cl)c1 ZINC000639174612 565230567 /nfs/dbraw/zinc/23/05/67/565230567.db2.gz WSFKDOXDKBBBSX-UHFFFAOYSA-N 1 0 387.958 2.613 20 0 GFADRO CC[C@H](c1ccc(Br)cc1)N1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000591459042 565230587 /nfs/dbraw/zinc/23/05/87/565230587.db2.gz YKBNCPCYINEBNY-SJLPKXTDSA-N 1 0 394.357 2.996 20 0 GFADRO OC[C@@]1(c2ccccc2)CC[N@H+](Cc2cnn3cc(Br)cnc23)C1 ZINC000639199751 565231529 /nfs/dbraw/zinc/23/15/29/565231529.db2.gz ZHIKJQFXOFEQDF-GOSISDBHSA-N 1 0 387.281 2.628 20 0 GFADRO CN1CC[C@H]([NH2+]CC(C)(C)OCCO)C[C@@H]1c1ccc(Br)cc1 ZINC000639186235 565231900 /nfs/dbraw/zinc/23/19/00/565231900.db2.gz ZHUZGZDXKLMOOJ-DLBZAZTESA-N 1 0 385.346 2.962 20 0 GFADRO COc1ccc(C[C@H](CO)C[NH2+]CCCc2cnn(C)c2)cc1Br ZINC000639253280 565236289 /nfs/dbraw/zinc/23/62/89/565236289.db2.gz SDYCXKZMEXWNLT-INIZCTEOSA-N 1 0 396.329 2.565 20 0 GFADRO O=C(CSCc1ccc(Br)cc1F)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000591686228 565236686 /nfs/dbraw/zinc/23/66/86/565236686.db2.gz WKHSEHFRISTONA-RYUDHWBXSA-N 1 0 379.270 2.638 20 0 GFADRO COc1cc(S(=O)(=O)N2CCCC[C@@H]2C[NH+](C)C)ccc1Br ZINC000660009704 565237475 /nfs/dbraw/zinc/23/74/75/565237475.db2.gz YXSHRTILKKSJPN-GFCCVEGCSA-N 1 0 391.331 2.563 20 0 GFADRO CC[C@@H](O)C[NH2+]C[C@H]1CCCN1Cc1ccc(I)cc1 ZINC000591764408 565239379 /nfs/dbraw/zinc/23/93/79/565239379.db2.gz NDYMMGPGUPGRKY-HZPDHXFCSA-N 1 0 388.293 2.616 20 0 GFADRO Fc1ccc2c(c1)OC[C@H]([NH2+]Cc1cnn3cc(Br)cnc13)C2 ZINC000639320224 565239499 /nfs/dbraw/zinc/23/94/99/565239499.db2.gz JRYNXHZQZSFQMO-CQSZACIVSA-N 1 0 377.217 2.724 20 0 GFADRO Cn1cc(C[C@@H]2CCC[C@@H]2[NH2+]Cc2cnn3cc(Br)cnc23)cn1 ZINC000639314927 565239649 /nfs/dbraw/zinc/23/96/49/565239649.db2.gz AZJNPAVOQSRAFK-BBRMVZONSA-N 1 0 389.301 2.726 20 0 GFADRO Brc1cnc2c(CNC[C@H]3CC[N@@H+]3C3CCCCC3)cnn2c1 ZINC000639345208 565240761 /nfs/dbraw/zinc/24/07/61/565240761.db2.gz INNCXYUOWRUQFG-MRXNPFEDSA-N 1 0 378.318 2.988 20 0 GFADRO Nc1ncc(C[NH2+][C@H]2CCCSc3ccc(Br)cc32)c(N)n1 ZINC000639349012 565240972 /nfs/dbraw/zinc/24/09/72/565240972.db2.gz HGRVZVBBUDDANY-LBPRGKRZSA-N 1 0 380.315 2.781 20 0 GFADRO Nc1ncc(C[NH2+][C@@H]2CCCSc3ccc(Br)cc32)c(N)n1 ZINC000639349011 565241059 /nfs/dbraw/zinc/24/10/59/565241059.db2.gz HGRVZVBBUDDANY-GFCCVEGCSA-N 1 0 380.315 2.781 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+][C@@H]2[C@@H]3Cc4c(cccc4Br)[C@@H]32)cc1 ZINC000639361122 565242333 /nfs/dbraw/zinc/24/23/33/565242333.db2.gz SIKWUIHTCQKDKY-HYVNUMGLSA-N 1 0 393.306 2.524 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+][C@@H]2[C@H]3Cc4c(cccc4Br)[C@@H]23)cc1 ZINC000639361123 565242585 /nfs/dbraw/zinc/24/25/85/565242585.db2.gz SIKWUIHTCQKDKY-USXIJHARSA-N 1 0 393.306 2.524 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+][C@@H]2[C@@H]3Cc4c(cccc4Br)[C@@H]32)s1 ZINC000639360776 565242833 /nfs/dbraw/zinc/24/28/33/565242833.db2.gz ONQIPJUWHZLQNZ-BYCMXARLSA-N 1 0 399.335 2.586 20 0 GFADRO C[C@@H](C(=O)N[C@@H](C)CN(C)CCC[NH+](C)C)c1ccc(Br)cc1 ZINC000617506178 565243859 /nfs/dbraw/zinc/24/38/59/565243859.db2.gz DOWJJCKRFOLDHR-LSDHHAIUSA-N 1 0 384.362 2.941 20 0 GFADRO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)Cc1ccc(Br)c(F)c1 ZINC000617506217 565244290 /nfs/dbraw/zinc/24/42/90/565244290.db2.gz FWOIJFAZJWCDBN-ZDUSSCGKSA-N 1 0 388.325 2.519 20 0 GFADRO CCN(C(=O)c1nnn(-c2cccc(Br)c2)c1C)[C@H]1CC[N@H+](C)C1 ZINC000617556066 565245842 /nfs/dbraw/zinc/24/58/42/565245842.db2.gz IZOYLAWFQRSTTK-HNNXBMFYSA-N 1 0 392.301 2.504 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CN(C)C[C@@H](O)C[C@](C)(O)C1CC1 ZINC000639447696 565246873 /nfs/dbraw/zinc/24/68/73/565246873.db2.gz OLYBPPGPOIRWBT-YJBOKZPZSA-N 1 0 399.329 2.540 20 0 GFADRO C[C@@H]1OCC[C@@H]1C[N@@H+]1CCCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000639472486 565248235 /nfs/dbraw/zinc/24/82/35/565248235.db2.gz KDSDEWYZSNCLFD-QWHCGFSZSA-N 1 0 378.947 2.523 20 0 GFADRO Cc1cc(C(C)(C)[NH2+]C[C@H](O)CC2(O)CCOCC2)ccc1Br ZINC000639648385 565253400 /nfs/dbraw/zinc/25/34/00/565253400.db2.gz IEPSBYVMYWVEEK-OAHLLOKOSA-N 1 0 386.330 2.875 20 0 GFADRO Cc1ccc(NC(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)c(Br)c1 ZINC000617736697 565254890 /nfs/dbraw/zinc/25/48/90/565254890.db2.gz KEQQEXLUOFWKNB-CQSZACIVSA-N 1 0 394.313 2.783 20 0 GFADRO C[NH+](C)C[C@@]1(O)CCCN(Cc2nnc(-c3c(Cl)cccc3Cl)o2)C1 ZINC000639760789 565258665 /nfs/dbraw/zinc/25/86/65/565258665.db2.gz DCUGYMNPDGSQEA-KRWDZBQOSA-N 1 0 385.295 2.932 20 0 GFADRO CN(Cc1ccc(Cl)s1)C(=O)C[NH2+][C@H]([C@@H]1CCCO1)C1(CO)CCC1 ZINC000639768138 565258742 /nfs/dbraw/zinc/25/87/42/565258742.db2.gz ANRKKLAMIGXUDZ-WMLDXEAASA-N 1 0 386.945 2.660 20 0 GFADRO C[C@@H](C[NH+]1CCOCC1)C(=O)N1CCN(c2ccc(Cl)cc2Cl)CC1 ZINC000617790653 565259973 /nfs/dbraw/zinc/25/99/73/565259973.db2.gz ZFCIEDYYSXOVTJ-AWEZNQCLSA-N 1 0 386.323 2.610 20 0 GFADRO FC(F)(F)c1ccc(C[N@H+](CCN2CCOCC2)[C@@H]2CCSC2)nc1 ZINC000639772281 565260145 /nfs/dbraw/zinc/26/01/45/565260145.db2.gz ZQSOJJTZOKPMBX-MRXNPFEDSA-N 1 0 375.460 2.740 20 0 GFADRO C[NH+](C)CCC[C@@H]1CN(S(=O)(=O)c2cccc(Cl)c2Cl)CCO1 ZINC000660155746 565260359 /nfs/dbraw/zinc/26/03/59/565260359.db2.gz COUFGOBHOSVWGP-GFCCVEGCSA-N 1 0 381.325 2.725 20 0 GFADRO O=S(=O)(NCC1CC[NH+](CC2CC2)CC1)c1cnccc1C(F)(F)F ZINC000660152355 565260919 /nfs/dbraw/zinc/26/09/19/565260919.db2.gz ZTPNOSHFTCZUTF-UHFFFAOYSA-N 1 0 377.432 2.501 20 0 GFADRO O[C@H](COc1cc(F)cc(Br)c1)C[N@@H+]1CCC[C@H]1c1cn[nH]c1 ZINC000639779232 565261284 /nfs/dbraw/zinc/26/12/84/565261284.db2.gz ZGMULSBHLVQFBJ-HOCLYGCPSA-N 1 0 384.249 2.888 20 0 GFADRO C[NH+](C)CCC[C@@H]1CN(S(=O)(=O)c2cc(Cl)ccc2Cl)CCO1 ZINC000660156885 565261537 /nfs/dbraw/zinc/26/15/37/565261537.db2.gz IARRLWLEOCILIW-CYBMUJFWSA-N 1 0 381.325 2.725 20 0 GFADRO C[N@@H+]1CCN(C(=O)Nc2ccc(S(C)(=O)=O)c(C(F)F)c2)CC1(C)C ZINC000639918268 565266926 /nfs/dbraw/zinc/26/69/26/565266926.db2.gz LPIRHOXRFBSYLH-UHFFFAOYSA-N 1 0 375.441 2.586 20 0 GFADRO COC[C@](C)(CO)[NH2+]CC(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000639956523 565268603 /nfs/dbraw/zinc/26/86/03/565268603.db2.gz XVJFSJDCKMEUFG-RDJZCZTQSA-N 1 0 375.296 2.644 20 0 GFADRO COc1cc(NC(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)ncc1Br ZINC000639961497 565269533 /nfs/dbraw/zinc/26/95/33/565269533.db2.gz AXZABKNZMXSQEY-INIZCTEOSA-N 1 0 383.290 2.802 20 0 GFADRO COc1cc(NC(=O)N2C[C@H]([NH+]3CCCC3)C[C@H]2C)ncc1Br ZINC000639965288 565271008 /nfs/dbraw/zinc/27/10/08/565271008.db2.gz OQLSMHFFYFLHKK-VXGBXAGGSA-N 1 0 383.290 2.943 20 0 GFADRO CC[C@@H]([NH3+])CNC(=O)c1cc(I)cc(C(F)(F)F)c1 ZINC000592339905 565271725 /nfs/dbraw/zinc/27/17/25/565271725.db2.gz RWPGQXZPQPYIMV-SNVBAGLBSA-N 1 0 386.155 2.777 20 0 GFADRO O=C1C[C@@H](C[N@H+]2CCC[C@H]2c2nc(-c3ccccc3Br)no2)CN1 ZINC000660382753 565273144 /nfs/dbraw/zinc/27/31/44/565273144.db2.gz UPPPQLDSPBEQGI-RISCZKNCSA-N 1 0 391.269 2.772 20 0 GFADRO OCC[C@H]1CCC[N@H+](C[C@@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000592391303 565273351 /nfs/dbraw/zinc/27/33/51/565273351.db2.gz RKPCYRNYOVRNPL-TZMCWYRMSA-N 1 0 392.721 2.937 20 0 GFADRO O=C(N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)C1(c2cccc(Br)c2)CC1 ZINC000592407208 565275613 /nfs/dbraw/zinc/27/56/13/565275613.db2.gz CADYQTWBWPBWLO-IAGOWNOFSA-N 1 0 393.325 2.538 20 0 GFADRO COC(=O)[C@@H]1C[NH2+]CCCN1Cc1ccc(Br)cc1C(F)(F)F ZINC000592434709 565276441 /nfs/dbraw/zinc/27/64/41/565276441.db2.gz NEVSITHIHIETIW-ZDUSSCGKSA-N 1 0 395.219 2.805 20 0 GFADRO CC(C)(C)n1nnc(CC[NH2+][C@H](c2cncc(Br)c2)C2CC2)n1 ZINC000660495656 565278782 /nfs/dbraw/zinc/27/87/82/565278782.db2.gz AKHJMQDTYHSLNH-HNNXBMFYSA-N 1 0 379.306 2.869 20 0 GFADRO CN(CC1C[NH+](C)C1)C(=O)C1(c2ccc(Br)cc2)CCOCC1 ZINC000618194194 565279665 /nfs/dbraw/zinc/27/96/65/565279665.db2.gz UDGOWRIKEGXELW-UHFFFAOYSA-N 1 0 381.314 2.517 20 0 GFADRO C[C@H](Cc1cccc(Br)c1)NC(=O)c1cnn2c1[C@H](C[NH3+])CCC2 ZINC000592498772 565280104 /nfs/dbraw/zinc/28/01/04/565280104.db2.gz FDVOGQRNGGOCEH-OCCSQVGLSA-N 1 0 391.313 2.843 20 0 GFADRO Cc1cc(Br)ccc1CNC(=O)c1cnn2c1[C@@H](C[NH3+])CCC2 ZINC000592532575 565281156 /nfs/dbraw/zinc/28/11/56/565281156.db2.gz LKAREPLKMFJYPC-GFCCVEGCSA-N 1 0 377.286 2.720 20 0 GFADRO Cc1nn(C)c(NC(=O)NCC[N@H+](C)Cc2ccccc2)c1Br ZINC000640163180 565281733 /nfs/dbraw/zinc/28/17/33/565281733.db2.gz DLCWSQBZSMLLCD-UHFFFAOYSA-N 1 0 380.290 2.745 20 0 GFADRO Cc1cccc(I)c1C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000592552658 565282187 /nfs/dbraw/zinc/28/21/87/565282187.db2.gz HNRADWNVIMGCBT-INIZCTEOSA-N 1 0 384.261 2.815 20 0 GFADRO COc1ncc(Br)cc1CN1CCC([N@@H+]2CCOC[C@@H]2C)CC1 ZINC000660589263 565284106 /nfs/dbraw/zinc/28/41/06/565284106.db2.gz FNDAEOSVOBFANN-ZDUSSCGKSA-N 1 0 384.318 2.538 20 0 GFADRO C[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)N(CC[NH+](C)C)CC(=O)N(C)C ZINC000618305745 565285703 /nfs/dbraw/zinc/28/57/03/565285703.db2.gz FZLQZPXUVBHHPN-ZDUSSCGKSA-N 1 0 388.339 2.650 20 0 GFADRO C[C@H](CC[NH+](C)C)NC(=O)Nc1cc(N2CCOCC2)ccc1Br ZINC000640233514 565288736 /nfs/dbraw/zinc/28/87/36/565288736.db2.gz AZICSPFJVZOTMQ-CYBMUJFWSA-N 1 0 399.333 2.747 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1cnn(-c2cccc(Br)c2)c1 ZINC000592742080 565291457 /nfs/dbraw/zinc/29/14/57/565291457.db2.gz LRCDVTFWVWSVRQ-IAGOWNOFSA-N 1 0 389.297 2.991 20 0 GFADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1nn(CC(F)(F)F)cc1Cl ZINC000640294992 565294622 /nfs/dbraw/zinc/29/46/22/565294622.db2.gz NYYZDTYALMZNPB-MNOVXSKESA-N 1 0 379.814 3.189 20 0 GFADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N1CCc2ccc(Cl)c(Cl)c2C1 ZINC000660855331 565296489 /nfs/dbraw/zinc/29/64/89/565296489.db2.gz OEEZYIOIGZOZSU-ZDUSSCGKSA-N 1 0 385.339 2.697 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)N2CCN(c3ccc(Br)cc3)CC2)CC[N@@H+]1C ZINC000660858814 565297365 /nfs/dbraw/zinc/29/73/65/565297365.db2.gz QQWKCQGUVKTRSD-ZBFHGGJFSA-N 1 0 395.345 2.763 20 0 GFADRO CCCN(C(=O)c1cc(Br)cc(C(=O)OC)c1)[C@@H]1CC[N@H+](C)C1 ZINC000592828151 565299581 /nfs/dbraw/zinc/29/95/81/565299581.db2.gz DKGGCSRTVMWNFD-OAHLLOKOSA-N 1 0 383.286 2.792 20 0 GFADRO NS(=O)(=O)CCC[NH2+]C1(c2ccc(Br)cc2)CCCCC1 ZINC000661133476 565309201 /nfs/dbraw/zinc/30/92/01/565309201.db2.gz JZTGJDZAKGEXPE-UHFFFAOYSA-N 1 0 375.332 2.877 20 0 GFADRO COC[C@@H]([NH2+]Cc1ccc(OC)c(OC)c1Br)C1CCOCC1 ZINC000661157258 565310034 /nfs/dbraw/zinc/31/00/34/565310034.db2.gz HLOFNQYKNRSGDU-CQSZACIVSA-N 1 0 388.302 2.998 20 0 GFADRO C[C@H](CSc1ccccc1)[N@H+](C)CCC(=O)NC(=O)NCC(F)(F)F ZINC000593046611 565310519 /nfs/dbraw/zinc/31/05/19/565310519.db2.gz PYPIPVKSQNNAEK-GFCCVEGCSA-N 1 0 377.432 2.877 20 0 GFADRO COC[C@@H]([NH2+]CCS(=O)(=O)c1cc(Cl)ccc1Cl)C1CCOCC1 ZINC000661159455 565311386 /nfs/dbraw/zinc/31/13/86/565311386.db2.gz FPCHNTWVNBIONH-OAHLLOKOSA-N 1 0 396.336 2.798 20 0 GFADRO C[C@@]1(C2CC2)C[N@H+](C[C@@H](O)COc2cc(F)cc(Br)c2)CCO1 ZINC000661166868 565311798 /nfs/dbraw/zinc/31/17/98/565311798.db2.gz CPHDDEPCEUOWJY-WBVHZDCISA-N 1 0 388.277 2.829 20 0 GFADRO [NH3+][C@H](c1cn(CC(=O)Nc2cc(Cl)ccc2Cl)nn1)C1CCOCC1 ZINC000640759544 565325407 /nfs/dbraw/zinc/32/54/07/565325407.db2.gz VNBDANNFMOEYPN-INIZCTEOSA-N 1 0 384.267 2.650 20 0 GFADRO C[C@@]12COC[C@]1(C)C[N@H+]([C@@H]1CCN(c3cccc(Br)c3)C1=O)C2 ZINC000661490357 565325608 /nfs/dbraw/zinc/32/56/08/565325608.db2.gz DPRBKPZAQDLOKH-NXHRZFHOSA-N 1 0 379.298 2.913 20 0 GFADRO C[C@H]1CCC[N@H+](CC(=O)N(C)Cc2cc(Br)cs2)[C@@H]1CCO ZINC000661489196 565326116 /nfs/dbraw/zinc/32/61/16/565326116.db2.gz ABZZDXCREILJKJ-SWLSCSKDSA-N 1 0 389.359 2.952 20 0 GFADRO C[C@H](C(=O)N1CCCCC1)n1cc([C@@H]([NH3+])c2ccc(Br)cc2)nn1 ZINC000640806285 565329174 /nfs/dbraw/zinc/32/91/74/565329174.db2.gz BRFVGCKTQBKKMI-WBMJQRKESA-N 1 0 392.301 2.662 20 0 GFADRO C[C@H](NC(=O)C[N@@H+]1CCC[C@@](O)(C2CC2)C1)c1ccc(Br)cc1 ZINC000661634533 565331392 /nfs/dbraw/zinc/33/13/92/565331392.db2.gz HSIDTGDLPQHPQS-UGSOOPFHSA-N 1 0 381.314 2.863 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)CCC[NH+]1CCC(O)(CO)CC1 ZINC000661618968 565332162 /nfs/dbraw/zinc/33/21/62/565332162.db2.gz BFWUWKWQBGDHKZ-UHFFFAOYSA-N 1 0 399.329 2.604 20 0 GFADRO C[C@@H](C(=O)NC(C)(C)C)n1cc([C@@H]([NH3+])c2ccc(Br)cc2)nn1 ZINC000640882935 565333521 /nfs/dbraw/zinc/33/35/21/565333521.db2.gz WLBWXFRTRYHTCC-HZMBPMFUSA-N 1 0 380.290 2.564 20 0 GFADRO Cc1ccc(NC(=O)[C@H](C)n2cc(C[C@@H]3CC[NH2+]C3)nn2)c(Br)c1 ZINC000640886295 565334967 /nfs/dbraw/zinc/33/49/67/565334967.db2.gz HXQKJALOHAFYNZ-STQMWFEESA-N 1 0 392.301 2.701 20 0 GFADRO CC(C)CCNC(=O)[C@H](C)n1cc([C@@H]([NH3+])c2ccc(Br)cc2)nn1 ZINC000640907108 565336157 /nfs/dbraw/zinc/33/61/57/565336157.db2.gz ZDJNOAJHGIITSU-LRDDRELGSA-N 1 0 394.317 2.812 20 0 GFADRO CC(C)[C@@H]([NH3+])c1cn([C@H](C)C(=O)N(C)Cc2ccc(Br)cc2)nn1 ZINC000640925294 565337416 /nfs/dbraw/zinc/33/74/16/565337416.db2.gz IJUZCBZFJAVMRP-MLGOLLRUSA-N 1 0 394.317 2.916 20 0 GFADRO Cn1cc(C[C@@H]2CCC[C@@H]2[NH2+][C@H](C(N)=O)c2ccc(Br)cc2)cn1 ZINC000661775912 565338220 /nfs/dbraw/zinc/33/82/20/565338220.db2.gz DKYXZCCFXCSIEK-XIRDDKMYSA-N 1 0 391.313 2.710 20 0 GFADRO Cn1cc(C[C@@H]2CCC[C@@H]2[NH2+]CC(=O)Nc2ccc(Br)cn2)cn1 ZINC000661775927 565338344 /nfs/dbraw/zinc/33/83/44/565338344.db2.gz DRIBHGYAJIITGE-ZFWWWQNUSA-N 1 0 392.301 2.517 20 0 GFADRO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)N[C@@H](CO)c1cccc(Br)c1 ZINC000661902433 565341981 /nfs/dbraw/zinc/34/19/81/565341981.db2.gz SKGQRIBSPSXFNG-PBHICJAKSA-N 1 0 398.345 2.902 20 0 GFADRO CCCCCOc1ccc(Br)cc1Cn1cc(C[C@H]([NH3+])CO)nn1 ZINC000641029798 565342426 /nfs/dbraw/zinc/34/24/26/565342426.db2.gz KDHQLYQXFGNGKX-HNNXBMFYSA-N 1 0 397.317 2.520 20 0 GFADRO [NH3+]CCCc1cn(Cc2cccc(OCC(F)(F)F)c2Br)nn1 ZINC000641116325 565346957 /nfs/dbraw/zinc/34/69/57/565346957.db2.gz JPIXWDZRRRCCOR-UHFFFAOYSA-N 1 0 393.207 2.921 20 0 GFADRO CC[NH2+]Cc1ccn(Cc2cn(Cc3cccc(Br)c3C)nn2)n1 ZINC000641118159 565347129 /nfs/dbraw/zinc/34/71/29/565347129.db2.gz HRWACWWXJAQFPM-UHFFFAOYSA-N 1 0 389.301 2.752 20 0 GFADRO O[C@@H](COc1cc(Cl)ccc1Cl)Cn1cc(C[C@H]2CCC[NH2+]C2)nn1 ZINC000641199755 565352985 /nfs/dbraw/zinc/35/29/85/565352985.db2.gz CBTHIXFUAPXQPY-IUODEOHRSA-N 1 0 385.295 2.567 20 0 GFADRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)N1CCc2[nH]c3ccc(Br)cc3c2C1 ZINC000641247908 565355582 /nfs/dbraw/zinc/35/55/82/565355582.db2.gz KNVYWPAPCYLYRN-XHDPSFHLSA-N 1 0 391.313 2.996 20 0 GFADRO C[NH+]1CCC(N(Cc2ccco2)S(=O)(=O)C[C@@H]2C(C)(C)C2(F)F)CC1 ZINC000641267106 565356642 /nfs/dbraw/zinc/35/66/42/565356642.db2.gz PNZPIVBLRHSKAD-OAHLLOKOSA-N 1 0 376.469 2.797 20 0 GFADRO COc1cc(C[N@H+](C)[C@H](C)CCO)cc(I)c1OC ZINC000593694662 565356886 /nfs/dbraw/zinc/35/68/86/565356886.db2.gz PKEMCNKUWQUBMJ-SNVBAGLBSA-N 1 0 379.238 2.511 20 0 GFADRO CCOC(=O)c1cc(Cl)cc(S(=O)(=O)N2CCC[C@H](C)[C@@H]2CC[NH3+])c1 ZINC000593733800 565358459 /nfs/dbraw/zinc/35/84/59/565358459.db2.gz JXSJROWVZOMCSP-LRDDRELGSA-N 1 0 388.917 2.655 20 0 GFADRO Brc1ccc2[nH]c3c(c2c1)CN(C[C@@H]1CCC2(C[NH2+]C2)O1)CC3 ZINC000662304230 565359479 /nfs/dbraw/zinc/35/94/79/565359479.db2.gz FZOGYDLHNKNEBA-ZDUSSCGKSA-N 1 0 376.298 2.810 20 0 GFADRO C[NH+](C)CCC[C@@H]1CN(C[C@H](O)COc2cc(Cl)ccc2Cl)CCO1 ZINC000662321199 565360165 /nfs/dbraw/zinc/36/01/65/565360165.db2.gz ZHAVIPXFEKTWCS-JKSUJKDBSA-N 1 0 391.339 2.776 20 0 GFADRO COc1ccc([C@H](C)NC(=O)c2c[nH]nc2[C@@H]2CC[NH2+]C2)cc1Br ZINC000662357117 565363283 /nfs/dbraw/zinc/36/32/83/565363283.db2.gz ZLOIDQATDNVNNT-CMPLNLGQSA-N 1 0 393.285 2.749 20 0 GFADRO COc1cc(CS(=O)(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)sn1 ZINC000641328119 565363323 /nfs/dbraw/zinc/36/33/23/565363323.db2.gz GKWQXNSXGZFHTM-GJZGRUSLSA-N 1 0 387.571 2.568 20 0 GFADRO CN(CCc1ccc(Br)cc1)C(=O)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC000662449475 565368791 /nfs/dbraw/zinc/36/87/91/565368791.db2.gz NQNVNFJHHWEYLF-ZDUSSCGKSA-N 1 0 377.286 2.564 20 0 GFADRO O=C(NCC1(c2cccc(Br)c2)CC1)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC000662461233 565370114 /nfs/dbraw/zinc/37/01/14/565370114.db2.gz HLJNHQIVMZJWFV-GFCCVEGCSA-N 1 0 389.297 2.711 20 0 GFADRO COc1ccc(S(=O)(=O)NCC(C)(C)[NH+]2CCC(OC)CC2)cc1Cl ZINC000594033790 565372104 /nfs/dbraw/zinc/37/21/04/565372104.db2.gz KSHZWJYTQWEJIR-UHFFFAOYSA-N 1 0 390.933 2.516 20 0 GFADRO C[C@@H](Cc1ccc(F)c(Br)c1)NC(=O)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC000662502877 565372918 /nfs/dbraw/zinc/37/29/18/565372918.db2.gz NZDDOKHXKVREKE-CMPLNLGQSA-N 1 0 395.276 2.749 20 0 GFADRO O=C(c1cc(Br)cc(N2CCCC2)c1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000662518926 565373901 /nfs/dbraw/zinc/37/39/01/565373901.db2.gz MCBPBXZAZJIEKJ-SUMWQHHRSA-N 1 0 378.314 2.873 20 0 GFADRO Cc1cc(Br)cc2c1CN(C(=O)c1c[nH]nc1[C@H]1CC[NH2+]C1)CC2 ZINC000662511325 565374068 /nfs/dbraw/zinc/37/40/68/565374068.db2.gz ILVCNOKXOWWJNZ-ZDUSSCGKSA-N 1 0 389.297 2.756 20 0 GFADRO O=C(c1c[nH]nc1[C@H]1CC[NH2+]C1)N1CCc2c(Br)ccc(F)c2C1 ZINC000662539752 565375533 /nfs/dbraw/zinc/37/55/33/565375533.db2.gz JNCJPPKNMKHUHP-JTQLQIEISA-N 1 0 393.260 2.587 20 0 GFADRO Cc1ccc(CN(C[C@H]2CCCO2)C(=O)NC[C@H](C)[NH3+])c(Br)c1 ZINC000641476588 565376105 /nfs/dbraw/zinc/37/61/05/565376105.db2.gz SKGAKYCEOMOITL-DZGCQCFKSA-N 1 0 384.318 2.795 20 0 GFADRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)c2ccc(I)cc2F)C1 ZINC000594102652 565376729 /nfs/dbraw/zinc/37/67/29/565376729.db2.gz OOYXKMOLSJLNKR-JGZJWPJOSA-N 1 0 376.213 2.500 20 0 GFADRO Cc1c(F)c(Br)ccc1C(=O)N1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000662572564 565376799 /nfs/dbraw/zinc/37/67/99/565376799.db2.gz YXWCZCVCGYTQSA-GFCCVEGCSA-N 1 0 385.277 2.724 20 0 GFADRO [NH3+]C1(CC(=O)N2CCC(C(=O)Nc3ccccc3Br)CC2)CC1 ZINC000662561919 565377483 /nfs/dbraw/zinc/37/74/83/565377483.db2.gz GLHCYXUTJNALCJ-UHFFFAOYSA-N 1 0 380.286 2.508 20 0 GFADRO [NH3+]C[C@@H]1OCC[C@H]1C(=O)NCCCCSc1ccccc1Br ZINC000662591087 565378366 /nfs/dbraw/zinc/37/83/66/565378366.db2.gz VHLVTXVYEMOPKI-OCCSQVGLSA-N 1 0 387.343 2.801 20 0 GFADRO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCN(C(=O)Cc3ccc(Br)cc3F)C2)C1 ZINC000662581667 565378562 /nfs/dbraw/zinc/37/85/62/565378562.db2.gz JGCXGVQYWFBTHP-FRFSOERESA-N 1 0 399.304 2.876 20 0 GFADRO C[C@H]1CCCN(Cc2csc(NC(=O)[C@]3(C(F)(F)F)CC[NH2+]C3)n2)C1 ZINC000662663536 565380682 /nfs/dbraw/zinc/38/06/82/565380682.db2.gz NUAAYSFLLJUONO-NHYWBVRUSA-N 1 0 376.448 2.856 20 0 GFADRO O=C([C@@H]1C[C@H]1C1CC[NH2+]CC1)N1CCOC[C@H]1c1ccc(Br)cc1 ZINC000662661329 565381228 /nfs/dbraw/zinc/38/12/28/565381228.db2.gz PKRUFLOZUKCJKQ-KSZLIROESA-N 1 0 393.325 2.985 20 0 GFADRO C[NH2+]CCCC(=O)N1CCC(NC(=O)Cc2ccc(Cl)cc2Cl)CC1 ZINC000662745093 565382913 /nfs/dbraw/zinc/38/29/13/565382913.db2.gz FCGXAHNBOGFAJT-UHFFFAOYSA-N 1 0 386.323 2.643 20 0 GFADRO C[N@@H+]1CCC[C@H](CNC(=O)[C@]2(C(F)(F)F)CC[NH2+]C2)[C@@H]1c1cccs1 ZINC000662743938 565383212 /nfs/dbraw/zinc/38/32/12/565383212.db2.gz ABHOXHHFZXZZNT-XPKDYRNWSA-N 1 0 375.460 2.789 20 0 GFADRO CC(C)[C@H]([NH3+])CCNC(=O)[C@@H]1CCCN1C(=O)c1ccc(Br)cc1 ZINC000662727381 565383626 /nfs/dbraw/zinc/38/36/26/565383626.db2.gz WOBMCRIBHNKACL-CVEARBPZSA-N 1 0 396.329 2.543 20 0 GFADRO CCO[C@H]1C[C@]([NH3+])(C(=O)N2CCOc3cc(Br)ccc3C2)C1(C)C ZINC000662745991 565384109 /nfs/dbraw/zinc/38/41/09/565384109.db2.gz YRCBIQMNRXQGBO-YJBOKZPZSA-N 1 0 397.313 2.703 20 0 GFADRO C[NH2+]CCCC(=O)N1CCC(NC(=O)Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000662747484 565384828 /nfs/dbraw/zinc/38/48/28/565384828.db2.gz ZDKRSDGSAPXUPL-UHFFFAOYSA-N 1 0 386.323 2.643 20 0 GFADRO C[NH+]1CCC2(CCN(S(=O)(=O)c3cc(F)ccc3Br)C2)CC1 ZINC000641586033 565384964 /nfs/dbraw/zinc/38/49/64/565384964.db2.gz DRDPKOIIPUOIPW-UHFFFAOYSA-N 1 0 391.306 2.695 20 0 GFADRO [NH3+]C[C@@H]1OCC[C@H]1C(=O)NCC1(c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000662811267 565386214 /nfs/dbraw/zinc/38/62/14/565386214.db2.gz XWCCHVSYZCFJFI-RISCZKNCSA-N 1 0 376.806 2.870 20 0 GFADRO O=C(N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662801697 565386251 /nfs/dbraw/zinc/38/62/51/565386251.db2.gz DYZUCGJCPILOCM-ZUZCIYMTSA-N 1 0 379.785 2.716 20 0 GFADRO [NH3+]CCc1nc(C(=O)N2CCOC[C@H]2c2ccc(Br)cc2)cs1 ZINC000662873078 565388580 /nfs/dbraw/zinc/38/85/80/565388580.db2.gz UPVGGEIHQMIHQZ-AWEZNQCLSA-N 1 0 396.310 2.621 20 0 GFADRO Brc1ccc2ncnc(N3CC[NH+](C[C@H]4CCCO4)CC3)c2c1 ZINC000620619931 565389466 /nfs/dbraw/zinc/38/94/66/565389466.db2.gz ZYVCURYYACBUST-CQSZACIVSA-N 1 0 377.286 2.693 20 0 GFADRO C[C@@H]1CCCN(C(=O)CNC(=O)c2ccc(Br)cc2)[C@@H]1CCC[NH3+] ZINC000662894890 565390073 /nfs/dbraw/zinc/39/00/73/565390073.db2.gz XFGPMJCZIYVSNU-CZUORRHYSA-N 1 0 396.329 2.545 20 0 GFADRO CN[C@H](C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1)c1cccc(Cl)c1Cl ZINC000662972052 565391213 /nfs/dbraw/zinc/39/12/13/565391213.db2.gz HNJFURWDNSLDKY-GUYCJALGSA-N 1 0 388.339 2.823 20 0 GFADRO Nc1cnccc1C[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000641737713 565397624 /nfs/dbraw/zinc/39/76/24/565397624.db2.gz BPUBQLSRIKURKZ-UHFFFAOYSA-N 1 0 377.286 2.553 20 0 GFADRO COCC[C@H](CO)[NH2+]Cc1c(C)nn(-c2ccc(Br)cc2)c1C ZINC000641765668 565398767 /nfs/dbraw/zinc/39/87/67/565398767.db2.gz SBYVRKQNYYVFLK-OAHLLOKOSA-N 1 0 382.302 2.739 20 0 GFADRO C[C@@H]([NH2+][C@@H]1CCCN(CCN2CCOCC2)C1)c1ccccc1Br ZINC000641785768 565399581 /nfs/dbraw/zinc/39/95/81/565399581.db2.gz DTCVSUIIEBINHZ-IAGOWNOFSA-N 1 0 396.373 2.896 20 0 GFADRO CC[C@@H]1CN(C(=O)c2cn(-c3ccc(Br)cc3)cn2)C[C@H](C)[NH2+]1 ZINC000620901908 565400986 /nfs/dbraw/zinc/40/09/86/565400986.db2.gz CPPBONMNZDVLPG-GXTWGEPZSA-N 1 0 377.286 2.847 20 0 GFADRO C[NH+](C)CCC[C@@H]1CN(C(=O)Cc2sccc2Br)CCO1 ZINC000620978648 565403581 /nfs/dbraw/zinc/40/35/81/565403581.db2.gz LVVMNWXTCNMDII-GFCCVEGCSA-N 1 0 375.332 2.622 20 0 GFADRO C[C@H](NC(=O)C(=O)NC[C@H]1CCCC[NH2+]1)c1cc(F)c(Cl)cc1Cl ZINC000642096191 565405188 /nfs/dbraw/zinc/40/51/88/565405188.db2.gz NCPSNMBTRSQMPG-VHSXEESVSA-N 1 0 376.259 2.568 20 0 GFADRO Cc1[nH]c(=O)c(Br)cc1C(=O)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000621110738 565405854 /nfs/dbraw/zinc/40/58/54/565405854.db2.gz VNCJJWZPVJMMEK-ZDUSSCGKSA-N 1 0 382.302 2.710 20 0 GFADRO CN([C@@H](C[NH3+])C(F)(F)F)S(=O)(=O)c1ccc(Cl)cc1Br ZINC000663309429 565411189 /nfs/dbraw/zinc/41/11/89/565411189.db2.gz CGGDXJDXVAOPMX-VIFPVBQESA-N 1 0 395.628 2.613 20 0 GFADRO CN([C@H](C[NH3+])C(F)(F)F)S(=O)(=O)c1ccc(Cl)c(Br)c1 ZINC000663309926 565411342 /nfs/dbraw/zinc/41/13/42/565411342.db2.gz DYIIQWAVPVVUJE-SECBINFHSA-N 1 0 395.628 2.613 20 0 GFADRO CC[C@H]1CN(C(=O)C(=O)NCCCc2ccc(Cl)cc2Cl)CC[C@@H]1[NH3+] ZINC000642351380 565411401 /nfs/dbraw/zinc/41/14/01/565411401.db2.gz MZMOSUXXXLYIQO-LRDDRELGSA-N 1 0 386.323 2.628 20 0 GFADRO C[N@@H+]1CCCN(CCCN=c2[nH]c3c(cccc3Br)s2)CC1 ZINC000621259093 565413461 /nfs/dbraw/zinc/41/34/61/565413461.db2.gz KCEPELNAUPIHJN-UHFFFAOYSA-N 1 0 383.359 2.920 20 0 GFADRO CC(C)[NH2+][C@@H]1CCCN(CC(=O)N(C)Cc2ccccc2Br)C1 ZINC000594750660 565413967 /nfs/dbraw/zinc/41/39/67/565413967.db2.gz ZFNBFYHVNHPKFZ-MRXNPFEDSA-N 1 0 382.346 2.870 20 0 GFADRO Brc1ccc(Cc2nnnn2Cc2cccc3c2CC[NH2+]C3)cc1 ZINC000663379139 565416183 /nfs/dbraw/zinc/41/61/83/565416183.db2.gz JKEAHCMFVMYFGI-UHFFFAOYSA-N 1 0 384.281 2.720 20 0 GFADRO COc1cc(CN2CCC([N@@H+]3CCOC[C@H]3C)CC2)c(Br)cn1 ZINC000621296462 565417319 /nfs/dbraw/zinc/41/73/19/565417319.db2.gz TVIMMDZRSVPDLE-CYBMUJFWSA-N 1 0 384.318 2.538 20 0 GFADRO CC(C)(CNC(=O)C(=O)NC[C@H]1CCCC[NH2+]1)c1ccc(Cl)c(Cl)c1 ZINC000642724875 565417409 /nfs/dbraw/zinc/41/74/09/565417409.db2.gz WMGHNQZXBGCHDQ-CYBMUJFWSA-N 1 0 386.323 2.646 20 0 GFADRO CNS(=O)(=O)CC[NH2+]C1(c2ccc(Br)cc2)CCCCC1 ZINC000621314338 565418922 /nfs/dbraw/zinc/41/89/22/565418922.db2.gz RSXRPFOOSZDBGD-UHFFFAOYSA-N 1 0 375.332 2.747 20 0 GFADRO [NH3+][C@@H]1CCO[C@H](C2CCN(S(=O)(=O)Cc3cc(Cl)ccc3F)CC2)C1 ZINC000643096547 565421017 /nfs/dbraw/zinc/42/10/17/565421017.db2.gz FJYCEQNQXBPXLJ-WBVHZDCISA-N 1 0 390.908 2.527 20 0 GFADRO COC(=O)c1cc(Cl)ccc1S(=O)(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000594794238 565422009 /nfs/dbraw/zinc/42/20/09/565422009.db2.gz ZTZRHPUVVLNUCU-GFCCVEGCSA-N 1 0 388.917 2.525 20 0 GFADRO Cc1nc(C)c(Br)c(N2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)n1 ZINC000663486942 565422497 /nfs/dbraw/zinc/42/24/97/565422497.db2.gz WLWKEPCMPRHKBI-ZIAGYGMSSA-N 1 0 396.377 2.851 20 0 GFADRO C[NH+]1CCC(NC(=O)NCC(F)(F)c2ccc(Br)cc2)CC1 ZINC000621415787 565424054 /nfs/dbraw/zinc/42/40/54/565424054.db2.gz YDZFRUDFTJBDGE-UHFFFAOYSA-N 1 0 376.245 2.934 20 0 GFADRO C[C@]1(NC(=O)Nc2cc(Br)cnc2OCC(F)(F)F)CC[NH2+]C1 ZINC000663586474 565427149 /nfs/dbraw/zinc/42/71/49/565427149.db2.gz NLTUFEQTYOLXHT-LBPRGKRZSA-N 1 0 397.195 2.659 20 0 GFADRO [NH3+][C@H]1CCC[C@H](NC(=O)C(=O)Nc2ccc(OC(F)(F)F)cc2Cl)C1 ZINC000663605199 565428014 /nfs/dbraw/zinc/42/80/14/565428014.db2.gz QEACDVHEGXUATN-IUCAKERBSA-N 1 0 379.766 2.563 20 0 GFADRO C[C@H]([NH2+]Cc1ccn(C)c(=O)c1)c1ccc(Br)cc1OCCCO ZINC000643404684 565432288 /nfs/dbraw/zinc/43/22/88/565432288.db2.gz PAQGFEFZMFQPNQ-ZDUSSCGKSA-N 1 0 395.297 2.760 20 0 GFADRO COc1cc(CNC(=O)CC[C@@H]2CCC[NH2+]C2)cc(Br)c1OC ZINC000621632269 565433691 /nfs/dbraw/zinc/43/36/91/565433691.db2.gz UWICKPCTMIACSB-LBPRGKRZSA-N 1 0 385.302 2.862 20 0 GFADRO [NH3+]CCCCn1cc(C(=O)N2CCC[C@H]2c2ccccc2Br)nn1 ZINC000643510981 565435447 /nfs/dbraw/zinc/43/54/47/565435447.db2.gz HOOFDJKKDRQJGA-INIZCTEOSA-N 1 0 392.301 2.757 20 0 GFADRO O=C(NC[C@@H]1C[NH2+]CCO1)C1(c2ccc(Br)cc2)CCCCC1 ZINC000643603436 565435553 /nfs/dbraw/zinc/43/55/53/565435553.db2.gz ZTOOVWIXBPHADV-INIZCTEOSA-N 1 0 381.314 2.756 20 0 GFADRO OCC[C@@]1(C[NH2+]Cc2cc(Cl)ccc2I)CCOC1 ZINC000594931957 565435849 /nfs/dbraw/zinc/43/58/49/565435849.db2.gz KGKAIULAJSIIKK-AWEZNQCLSA-N 1 0 395.668 2.823 20 0 GFADRO O=C(Nc1ncc(C2CC[NH2+]CC2)s1)c1cc(Br)c[nH]c1=O ZINC000621660807 565435986 /nfs/dbraw/zinc/43/59/86/565435986.db2.gz XIUSLRDUKHOREQ-UHFFFAOYSA-N 1 0 383.271 2.726 20 0 GFADRO OC[C@@H]1CCC[N@@H+]1Cc1ccccc1CNc1cc(Br)cnn1 ZINC000663787092 565436073 /nfs/dbraw/zinc/43/60/73/565436073.db2.gz HKSRQROFWMCPPH-INIZCTEOSA-N 1 0 377.286 2.808 20 0 GFADRO O=C(c1cc2c(cc1Br)OCO2)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000621664083 565436062 /nfs/dbraw/zinc/43/60/62/565436062.db2.gz KCNTZUHGMNOJNI-RISCZKNCSA-N 1 0 381.270 2.782 20 0 GFADRO O=C(N[C@H]1C[NH2+]CC[C@H]1c1cccc(F)c1)c1cc(Br)c[nH]c1=O ZINC000621669606 565436459 /nfs/dbraw/zinc/43/64/59/565436459.db2.gz QRHWSTWKIJMRJM-ZFWWWQNUSA-N 1 0 394.244 2.564 20 0 GFADRO COC[C@@H]([NH2+]Cc1ccc(I)cc1)C1CCOCC1 ZINC000594956629 565437034 /nfs/dbraw/zinc/43/70/34/565437034.db2.gz KFJIEWJVVUOGIG-OAHLLOKOSA-N 1 0 375.250 2.822 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000621684966 565437082 /nfs/dbraw/zinc/43/70/82/565437082.db2.gz WJITXUMARYWZMR-ACJLOTCBSA-N 1 0 389.297 2.897 20 0 GFADRO [NH3+][C@@]12CCC[C@@H]1CN(C(=O)C1CCN(C(=O)c3ccc(Cl)s3)CC1)C2 ZINC000621694177 565437404 /nfs/dbraw/zinc/43/74/04/565437404.db2.gz CTQCJDWAXZKCRJ-FZKQIMNGSA-N 1 0 381.929 2.594 20 0 GFADRO COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]C[C@H](CO)Cc1ccc(F)c(Br)c1 ZINC000594947450 565437683 /nfs/dbraw/zinc/43/76/83/565437683.db2.gz ADVNVCFACPRMLN-IGHBBLSQSA-N 1 0 388.277 2.526 20 0 GFADRO OCC1(C[NH2+]Cc2cc(Cl)ccc2I)CCOCC1 ZINC000594960677 565438237 /nfs/dbraw/zinc/43/82/37/565438237.db2.gz VEOUOGFCTBWZDW-UHFFFAOYSA-N 1 0 395.668 2.823 20 0 GFADRO [NH3+][C@@]12CCC[C@H]1CN(C(=O)c1cnn(-c3ccc(Br)cc3)c1)C2 ZINC000621695512 565438321 /nfs/dbraw/zinc/43/83/21/565438321.db2.gz WDXPCDDOYUFZEF-SUMWQHHRSA-N 1 0 375.270 2.588 20 0 GFADRO C[S@](=O)[C@@H]1CCC[C@@H]([NH2+]Cc2cc(Br)c3c(c2)OCCO3)C1 ZINC000594963758 565438888 /nfs/dbraw/zinc/43/88/88/565438888.db2.gz XSWDCVCNOFHNCN-VJBOLBCHSA-N 1 0 388.327 3.000 20 0 GFADRO Ic1cccc(C[NH2+]C2CCN([C@H]3CCOC3)CC2)c1 ZINC000594992843 565439580 /nfs/dbraw/zinc/43/95/80/565439580.db2.gz KKPKUSJKEYEMDW-INIZCTEOSA-N 1 0 386.277 2.634 20 0 GFADRO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)NCc1cccc(Br)c1 ZINC000663856272 565439965 /nfs/dbraw/zinc/43/99/65/565439965.db2.gz PGWWTJSLDDXBHE-AWEZNQCLSA-N 1 0 385.350 2.520 20 0 GFADRO COCCN1CC[C@H]([NH2+][C@@H]2CCc3ccc(I)cc32)C1 ZINC000595020926 565443651 /nfs/dbraw/zinc/44/36/51/565443651.db2.gz VSMJHCXKPDCPAG-GOEBONIOSA-N 1 0 386.277 2.589 20 0 GFADRO [NH3+]C[C@H]1CC[C@@H](NC(=O)NCC(F)(F)c2ccc(Br)cc2)C1 ZINC000621848613 565444976 /nfs/dbraw/zinc/44/49/76/565444976.db2.gz COILVDYSLNSIHB-GXFFZTMASA-N 1 0 376.245 2.968 20 0 GFADRO COC(=O)c1cn(CC[NH2+][C@@H](C)c2ccc(Br)c(Cl)c2)nn1 ZINC000595052617 565445530 /nfs/dbraw/zinc/44/55/30/565445530.db2.gz YUILSXHKGDCKPX-VIFPVBQESA-N 1 0 387.665 2.831 20 0 GFADRO COC[C@H](CC[NH2+][C@@H]1CCc2ccc(I)cc21)OC ZINC000595058998 565446183 /nfs/dbraw/zinc/44/61/83/565446183.db2.gz FBFNQPROLQQXKW-DZGCQCFKSA-N 1 0 375.250 2.920 20 0 GFADRO COC[C@]1(C(=O)N2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)CCC[NH2+]1 ZINC000643785775 565446502 /nfs/dbraw/zinc/44/65/02/565446502.db2.gz ZQEKKHJHSXASBO-NHYWBVRUSA-N 1 0 377.432 2.637 20 0 GFADRO O=C(c1cc(Br)c[nH]c1=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000621926947 565449978 /nfs/dbraw/zinc/44/99/78/565449978.db2.gz ZSOPYRFVSRBQLX-IAQYHMDHSA-N 1 0 380.286 2.639 20 0 GFADRO [NH3+][C@@]12CCC[C@H]1CN(S(=O)(=O)c1cccc(Cl)c1Br)C2 ZINC000622014909 565455580 /nfs/dbraw/zinc/45/55/80/565455580.db2.gz MROAGBMXWSKNIL-TVQRCGJNSA-N 1 0 379.707 2.604 20 0 GFADRO CCN(C(=O)NC[C@@H](C)Oc1ccc(Br)cc1)[C@@H]1CC[N@H+](C)C1 ZINC000664255593 565456698 /nfs/dbraw/zinc/45/66/98/565456698.db2.gz OMXGLJSJPWFWDE-UKRRQHHQSA-N 1 0 384.318 2.952 20 0 GFADRO O=C(NC[C@@H]1CCC[NH2+]C1)Nc1ccc(I)cc1F ZINC000595234726 565456910 /nfs/dbraw/zinc/45/69/10/565456910.db2.gz NWRASQWMAHCRIJ-SECBINFHSA-N 1 0 377.201 2.551 20 0 GFADRO COc1ccc(I)c(NC(=O)C2([NH3+])CC3(CCC3)C2)c1 ZINC000595253920 565458592 /nfs/dbraw/zinc/45/85/92/565458592.db2.gz RPKLIUPACALPHQ-UHFFFAOYSA-N 1 0 386.233 2.900 20 0 GFADRO C[C@@H]1CCN(C(=O)c2c(F)cccc2I)[C@H](C[NH3+])C1 ZINC000595258536 565459053 /nfs/dbraw/zinc/45/90/53/565459053.db2.gz PZWUXRFVLQXDFA-ZJUUUORDSA-N 1 0 376.213 2.630 20 0 GFADRO CCN(C(=O)NC[C@@H](C)Oc1ccccc1Br)[C@@H]1CC[N@H+](C)C1 ZINC000664321542 565459092 /nfs/dbraw/zinc/45/90/92/565459092.db2.gz UNNLBKQTRCHTCM-ZIAGYGMSSA-N 1 0 384.318 2.952 20 0 GFADRO COCC1(CNC(=O)CCc2ccc(Br)cc2F)CC[NH2+]CC1 ZINC000644127851 565460092 /nfs/dbraw/zinc/46/00/92/565460092.db2.gz YXHPIYTWLYMLMP-UHFFFAOYSA-N 1 0 387.293 2.653 20 0 GFADRO C[NH2+]C[C@H](C)NC(=O)N1CCC[C@@H]1c1ccccc1I ZINC000595275336 565460639 /nfs/dbraw/zinc/46/06/39/565460639.db2.gz KFADZOPSZGCXKK-SMDDNHRTSA-N 1 0 387.265 2.746 20 0 GFADRO CCc1ccc([C@@H]2C[NH2+]CCN2C(=O)CCn2cc(Br)cn2)cc1 ZINC000644131458 565460630 /nfs/dbraw/zinc/46/06/30/565460630.db2.gz HHQJYNKJOWRNFK-KRWDZBQOSA-N 1 0 391.313 2.771 20 0 GFADRO O=C(N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1)[C@H]1C[NH2+]CCC1(F)F ZINC000644151566 565461759 /nfs/dbraw/zinc/46/17/59/565461759.db2.gz WYSDGEADPDXYLJ-NWDGAFQWSA-N 1 0 378.250 2.933 20 0 GFADRO CC[NH+]1CCN([C@H]2CCN(Cc3ncc(Br)cc3Cl)C2)CC1 ZINC000595314607 565462899 /nfs/dbraw/zinc/46/28/99/565462899.db2.gz UJVNDZWDDBQTQA-AWEZNQCLSA-N 1 0 387.753 2.709 20 0 GFADRO O=C(NCC1CC[NH+](CC2CC2)CC1)c1nc(C2CC2)ncc1Br ZINC000664476949 565464344 /nfs/dbraw/zinc/46/43/44/565464344.db2.gz XYYHKTBVVBYMJC-UHFFFAOYSA-N 1 0 393.329 2.968 20 0 GFADRO O=C(NC[C@@H]1CCC[N@H+](CC2CC2)C1)c1nc(C2CC2)ncc1Br ZINC000664490834 565465051 /nfs/dbraw/zinc/46/50/51/565465051.db2.gz VRLZCWJOHYTLGS-ZDUSSCGKSA-N 1 0 393.329 2.968 20 0 GFADRO C[C@H](Oc1ccc(F)cc1Br)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000622404897 565470645 /nfs/dbraw/zinc/47/06/45/565470645.db2.gz VBEWVASXELLYFK-NSHDSACASA-N 1 0 399.264 2.752 20 0 GFADRO O[C@]1(C(F)(F)F)CC[C@H]([NH2+]Cc2cn(-c3ccc(F)c(Cl)c3)nn2)C1 ZINC000644428525 565476966 /nfs/dbraw/zinc/47/69/66/565476966.db2.gz XBXBMLQABALSBP-LKFCYVNXSA-N 1 0 378.757 2.995 20 0 GFADRO O=C(NCC[NH2+]C[C@@H](O)COc1ccc(Cl)c(Cl)c1)c1ccccc1 ZINC000644515677 565479300 /nfs/dbraw/zinc/47/93/00/565479300.db2.gz NJWPZYAALCUVOR-CQSZACIVSA-N 1 0 383.275 2.753 20 0 GFADRO COc1nc(C)cc(C)c1C[NH2+]C[C@H](O)COc1cccc(Br)c1 ZINC000644541975 565480796 /nfs/dbraw/zinc/48/07/96/565480796.db2.gz DUTXEFHNIVHRTP-HNNXBMFYSA-N 1 0 395.297 2.999 20 0 GFADRO O[C@H](C[NH2+]C1CCN(CC(F)F)CC1)COc1ccc(Br)cc1 ZINC000644532749 565480851 /nfs/dbraw/zinc/48/08/51/565480851.db2.gz MDVMEWXXBHQIFE-CQSZACIVSA-N 1 0 393.272 2.508 20 0 GFADRO COc1cc(CC[NH2+]C[C@@H](O)COc2cccc(Br)c2)ccc1O ZINC000644601991 565484297 /nfs/dbraw/zinc/48/42/97/565484297.db2.gz HCOMORVURXGFKN-OAHLLOKOSA-N 1 0 396.281 2.735 20 0 GFADRO O=[S@@](CC[N@@H+](CCOCCO)C1CCC1)c1cc(Cl)ccc1Cl ZINC000595602544 565484527 /nfs/dbraw/zinc/48/45/27/565484527.db2.gz WTXKIPWORLFMSF-QHCPKHFHSA-N 1 0 380.337 2.964 20 0 GFADRO COc1cc(Br)ccc1CCC[NH2+]CCC(=O)Nc1cc(C)on1 ZINC000644620073 565485004 /nfs/dbraw/zinc/48/50/04/565485004.db2.gz FSVAPIBQKVQRRW-UHFFFAOYSA-N 1 0 396.285 3.305 20 0 GFADRO C[C@H]([NH2+]C[C@H](O)COc1cc(F)cc(Br)c1)[C@H]1CCCCO1 ZINC000644616357 565485034 /nfs/dbraw/zinc/48/50/34/565485034.db2.gz AMJKPINEVRVWIB-HZUKXOBISA-N 1 0 376.266 2.875 20 0 GFADRO CN1Cc2ccccc2[C@@H]([NH2+]C[C@H](O)COc2cccc(Br)c2)C1 ZINC000644609811 565485544 /nfs/dbraw/zinc/48/55/44/565485544.db2.gz LMMOCSSOQXKOAX-LPHOPBHVSA-N 1 0 391.309 2.965 20 0 GFADRO CC(C)[C@H](C[NH2+]C[C@@H](O)COc1cccc(Br)c1)c1ccnn1C ZINC000644630364 565486806 /nfs/dbraw/zinc/48/68/06/565486806.db2.gz VIEDSIJXQOVXLR-WBVHZDCISA-N 1 0 396.329 2.952 20 0 GFADRO CS(=O)(=O)CC1(C[NH2+]C[C@@H](O)COc2ccc(Cl)c(Cl)c2)CCC1 ZINC000644672033 565489171 /nfs/dbraw/zinc/48/91/71/565489171.db2.gz BAOGVIPQXVKNRM-GFCCVEGCSA-N 1 0 396.336 2.538 20 0 GFADRO O=C(Nc1cccc(C[N@H+]2CC[C@@H](O)C2)c1)c1cccc(Br)c1[O-] ZINC000644693701 565489829 /nfs/dbraw/zinc/48/98/29/565489829.db2.gz CMDHRHHGFRYVOZ-CQSZACIVSA-N 1 0 391.265 2.974 20 0 GFADRO O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1nc2cc(Cl)ccc2s1 ZINC000623069606 565492851 /nfs/dbraw/zinc/49/28/51/565492851.db2.gz KGHNYCVJFULAIF-GFCCVEGCSA-N 1 0 392.834 2.516 20 0 GFADRO COC(=O)[C@H](c1ccc(Cl)cc1Cl)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000595862821 565494527 /nfs/dbraw/zinc/49/45/27/565494527.db2.gz HEROHGLYDMNNSL-YOEHRIQHSA-N 1 0 387.307 2.739 20 0 GFADRO COC(=O)[C@@H](c1ccc(Cl)c(Cl)c1)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000595862443 565495339 /nfs/dbraw/zinc/49/53/39/565495339.db2.gz BVBMKPWEIHOMSW-WMLDXEAASA-N 1 0 387.307 2.739 20 0 GFADRO COC(=O)[C@H](c1ccc(Cl)c(Cl)c1)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000595862445 565495423 /nfs/dbraw/zinc/49/54/23/565495423.db2.gz BVBMKPWEIHOMSW-YOEHRIQHSA-N 1 0 387.307 2.739 20 0 GFADRO COc1ccc(Br)cc1C(=O)CCC(=O)N1CC[C@@H]2C[N@H+](C)C[C@H]21 ZINC000644820385 565496779 /nfs/dbraw/zinc/49/67/79/565496779.db2.gz WVTWBLPDUNROIH-IUODEOHRSA-N 1 0 395.297 2.583 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H]1C(=O)NCc1ccc(I)c(Cl)c1 ZINC000595929386 565498777 /nfs/dbraw/zinc/49/87/77/565498777.db2.gz SZLOUCVLJOCBAZ-JOYOIKCWSA-N 1 0 378.641 2.688 20 0 GFADRO COC(=O)[C@@H](NC(=O)C[C@@H](C[NH3+])CC(C)C)c1ccc(Br)cc1 ZINC000595933952 565500151 /nfs/dbraw/zinc/50/01/51/565500151.db2.gz SYRYPNWNEGKLLF-LRDDRELGSA-N 1 0 385.302 2.791 20 0 GFADRO Cc1c(C[NH3+])c(NC(=O)CSCc2cc(-c3cccs3)on2)nn1C ZINC000595961406 565502282 /nfs/dbraw/zinc/50/22/82/565502282.db2.gz LJFAJTXJMVYAFH-UHFFFAOYSA-N 1 0 377.495 2.776 20 0 GFADRO [NH3+]C[C@H]1CCCn2ncc(C(=O)N3CCc4sc(Br)cc4C3)c21 ZINC000595968841 565502518 /nfs/dbraw/zinc/50/25/18/565502518.db2.gz LVLAGIICAAPCRK-SNVBAGLBSA-N 1 0 395.326 2.742 20 0 GFADRO COC(=O)[C@@H]1C[C@H](C(F)(F)F)CN(C(=O)[C@@H]([NH3+])c2cccc(Cl)c2)C1 ZINC000595963207 565502594 /nfs/dbraw/zinc/50/25/94/565502594.db2.gz OIEVOXFIJXXVCE-MDZLAQPJSA-N 1 0 378.778 2.540 20 0 GFADRO C[C@@H](C[NH+](C)C)NC(=O)NCc1c(F)c(F)c(Br)c(F)c1F ZINC000645027526 565509011 /nfs/dbraw/zinc/50/90/11/565509011.db2.gz ABYUKWNOXBGMCJ-LURJTMIESA-N 1 0 386.187 2.755 20 0 GFADRO C[N@@H+]1CCCN(C(=O)NCc2c(F)c(F)c(Br)c(F)c2F)CC1 ZINC000645045742 565509904 /nfs/dbraw/zinc/50/99/04/565509904.db2.gz XBVBUEDNQQVDAQ-UHFFFAOYSA-N 1 0 398.198 2.853 20 0 GFADRO CC(C)(C[NH2+]Cc1c[nH]nc1-c1ccc(Br)s1)S(C)(=O)=O ZINC000623439854 565511021 /nfs/dbraw/zinc/51/10/21/565511021.db2.gz ZUDDDZQQTLMXLZ-UHFFFAOYSA-N 1 0 392.344 2.814 20 0 GFADRO C[C@H](NC(=O)N1CN(CC[NH+](C)C)C(=O)[C@@H]1C)c1ccc(Cl)cc1Cl ZINC000645102566 565512205 /nfs/dbraw/zinc/51/22/05/565512205.db2.gz ACMRMSAEEYYEEN-RYUDHWBXSA-N 1 0 387.311 2.816 20 0 GFADRO COc1cc(CNC(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)c(Br)cc1O ZINC000645183243 565515135 /nfs/dbraw/zinc/51/51/35/565515135.db2.gz YURMAMSRRXJZTA-KBPBESRZSA-N 1 0 398.301 2.589 20 0 GFADRO C[NH+](C)C[C@H]1CCCCN1C(=O)c1cc(Br)c2c(c1)OCCO2 ZINC000623504120 565515379 /nfs/dbraw/zinc/51/53/79/565515379.db2.gz YFBIPILHSRYZPC-CYBMUJFWSA-N 1 0 383.286 2.777 20 0 GFADRO CO[C@@H](C)C[NH2+]Cc1cc(Cl)cc(Cl)c1OCCN1CCOCC1 ZINC000623503556 565515405 /nfs/dbraw/zinc/51/54/05/565515405.db2.gz CQCLUWYGHFHUMW-ZDUSSCGKSA-N 1 0 377.312 2.829 20 0 GFADRO C[C@H]1[C@H]([NH+](C)C)CCN1c1ncnc2ccc(I)cc21 ZINC000596243248 565516968 /nfs/dbraw/zinc/51/69/68/565516968.db2.gz CLYLFTKBUCKMBD-IINYFYTJSA-N 1 0 382.249 2.763 20 0 GFADRO Cn1cnc(CCC[NH2+]Cc2c[nH]nc2-c2ccc(Br)s2)n1 ZINC000623557437 565518296 /nfs/dbraw/zinc/51/82/96/565518296.db2.gz XPAQYOCWWSVZMY-UHFFFAOYSA-N 1 0 381.303 2.752 20 0 GFADRO COc1ccc(NC(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)c(Br)c1 ZINC000665952262 565518753 /nfs/dbraw/zinc/51/87/53/565518753.db2.gz NICNIBCKDGHYGC-CYBMUJFWSA-N 1 0 398.301 2.833 20 0 GFADRO COc1ncc(Br)cc1CNC(=O)NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000623601812 565520320 /nfs/dbraw/zinc/52/03/20/565520320.db2.gz RAKKYCBTRXYOIK-OLZOCXBDSA-N 1 0 399.333 2.772 20 0 GFADRO CCc1ncc(C[NH2+][C@]2(CO)CCc3cc(Br)ccc3C2)cn1 ZINC000623644991 565523051 /nfs/dbraw/zinc/52/30/51/565523051.db2.gz JBJMHOQPYWHQND-GOSISDBHSA-N 1 0 376.298 2.811 20 0 GFADRO Fc1ccc(C[NH2+][C@@H]2CCN(c3ccc4nncn4n3)C2)c(Cl)c1Cl ZINC000623651785 565523154 /nfs/dbraw/zinc/52/31/54/565523154.db2.gz VFGRHBPOZLABFP-LLVKDONJSA-N 1 0 381.242 2.939 20 0 GFADRO OC[C@@]1([NH2+]Cc2cnn3c2CCC3)CCc2cc(Br)ccc2C1 ZINC000623645318 565523394 /nfs/dbraw/zinc/52/33/94/565523394.db2.gz XKENNLHFJZIKFM-GOSISDBHSA-N 1 0 376.298 2.601 20 0 GFADRO C[NH+]1CCC2(CC1)CN(c1ncc(Br)c(OC(C)(C)C)n1)CCO2 ZINC000645385360 565523754 /nfs/dbraw/zinc/52/37/54/565523754.db2.gz JRRVSPOTZJKHFH-UHFFFAOYSA-N 1 0 399.333 2.717 20 0 GFADRO Cc1ccc(Br)c(C)c1C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000645407562 565523849 /nfs/dbraw/zinc/52/38/49/565523849.db2.gz DWIUIEFBYDMHBH-HNNXBMFYSA-N 1 0 394.357 2.964 20 0 GFADRO C[C@@H]1COCCN1CCNC(=O)NCC/C=C\c1ccc(Br)cc1 ZINC000623726376 565526230 /nfs/dbraw/zinc/52/62/30/565526230.db2.gz MTAJVYHCZAUVKN-NSRYLSIASA-N 1 0 396.329 2.872 20 0 GFADRO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)Nc1ccc(Br)c(F)c1 ZINC000666193774 565526500 /nfs/dbraw/zinc/52/65/00/565526500.db2.gz WJCOMFNWMMNJPQ-LBPRGKRZSA-N 1 0 389.313 2.982 20 0 GFADRO CCOc1cc(C[NH2+][C@@H]2CCS(=O)(=O)[C@@H]2C)ccc1OCC(F)(F)F ZINC000623719390 565526811 /nfs/dbraw/zinc/52/68/11/565526811.db2.gz SRSMSCICBPZWFY-DGCLKSJQSA-N 1 0 381.416 2.692 20 0 GFADRO COc1ncc(Br)cc1CNC(=O)NCC1([NH+](C)C)CCCC1 ZINC000623704934 565527036 /nfs/dbraw/zinc/52/70/36/565527036.db2.gz VZJKXBQFKFCGOM-UHFFFAOYSA-N 1 0 385.306 2.526 20 0 GFADRO C/C=C\C[NH2+]Cc1cc(Br)c(OCC(=O)N(C)C)c(OCC)c1 ZINC000623739421 565527805 /nfs/dbraw/zinc/52/78/05/565527805.db2.gz WREVRTRLEABFJX-ALCCZGGFSA-N 1 0 385.302 2.981 20 0 GFADRO C[NH+]1CCC2(CC1)CN(C(=O)NCc1ccsc1Br)CCO2 ZINC000645494045 565531148 /nfs/dbraw/zinc/53/11/48/565531148.db2.gz QEUJQTMUTYFGKT-UHFFFAOYSA-N 1 0 388.331 2.517 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)[C@@H]1CCO[C@H]1c1cncc(Br)c1 ZINC000666451103 565537628 /nfs/dbraw/zinc/53/76/28/565537628.db2.gz INPJYICPYQUCQN-NCOADZHNSA-N 1 0 394.313 2.665 20 0 GFADRO C[N@@H+]1CCC[C@@H](CNS(=O)(=O)CCOCC2CCC2)[C@@H]1c1cccs1 ZINC000645562614 565539329 /nfs/dbraw/zinc/53/93/29/565539329.db2.gz YAFNARPBWHOXPR-FUHWJXTLSA-N 1 0 386.583 2.867 20 0 GFADRO COc1ccc(NC(=O)NCC[C@H](C)[NH+](C)C)c(I)c1 ZINC000596877038 565539760 /nfs/dbraw/zinc/53/97/60/565539760.db2.gz OSWRNVDTMFKFGT-JTQLQIEISA-N 1 0 391.253 2.762 20 0 GFADRO Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+]C[C@H](n2cccn2)C(F)(F)F)cc1 ZINC000624043878 565540171 /nfs/dbraw/zinc/54/01/71/565540171.db2.gz BUGNBVWLHQYMMY-ZFWWWQNUSA-N 1 0 375.416 2.747 20 0 GFADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCN[C@@H](c1ccc(Br)cc1)C(F)F ZINC000624087007 565542947 /nfs/dbraw/zinc/54/29/47/565542947.db2.gz COKGNWMIECDGLI-KBPBESRZSA-N 1 0 390.272 2.685 20 0 GFADRO CC(C)c1cc(Br)ccc1NC(=O)C(=O)N1CC[C@@H]2C[N@H+](C)C[C@H]21 ZINC000645621005 565545157 /nfs/dbraw/zinc/54/51/57/565545157.db2.gz IYZRYSWHKVJABG-MLGOLLRUSA-N 1 0 394.313 2.674 20 0 GFADRO CCC[N@@H+]1CC[C@@H](NC(=O)Nc2cc(Br)cnc2-n2cccn2)C1 ZINC000666683054 565547598 /nfs/dbraw/zinc/54/75/98/565547598.db2.gz QNKUORWQUPEJQU-CYBMUJFWSA-N 1 0 393.289 2.636 20 0 GFADRO Cn1cc(Br)c(=O)c(NC(=O)NC[C@H](c2ccccc2)[NH+](C)C)c1 ZINC000666686888 565548020 /nfs/dbraw/zinc/54/80/20/565548020.db2.gz JTYCTGGVVOCZSA-OAHLLOKOSA-N 1 0 393.285 2.572 20 0 GFADRO CCOC(=O)C[C@H](NC(=O)NC[C@@H](c1ccsc1)[NH+](C)C)C(F)(F)F ZINC000597023358 565548306 /nfs/dbraw/zinc/54/83/06/565548306.db2.gz SFBABVAMZNCBFE-RYUDHWBXSA-N 1 0 381.420 2.534 20 0 GFADRO O[C@@H]1CCN(CC[NH2+][C@@H]2CCCc3c4cc(Br)ccc4[nH]c32)C1 ZINC000624231288 565549094 /nfs/dbraw/zinc/54/90/94/565549094.db2.gz VSBJCLYJDLCCRQ-CXAGYDPISA-N 1 0 378.314 2.964 20 0 GFADRO COC(=O)c1ccc(C[NH2+]Cc2cccc(CS(C)(=O)=O)c2)cc1Cl ZINC000597056086 565550533 /nfs/dbraw/zinc/55/05/33/565550533.db2.gz QAAOLZMHQQJEFP-UHFFFAOYSA-N 1 0 381.881 2.961 20 0 GFADRO CC[C@H]1CN(S(=O)(=O)c2cc(F)c(Br)cc2C)CC[C@H]1[NH3+] ZINC000624362256 565553502 /nfs/dbraw/zinc/55/35/02/565553502.db2.gz MALHGGWSZXEABP-GXFFZTMASA-N 1 0 379.295 2.645 20 0 GFADRO O=S(=O)(N[C@H]1CC[NH2+]C12CCC2)c1cc(Cl)cc(Br)c1 ZINC000624379579 565553759 /nfs/dbraw/zinc/55/37/59/565553759.db2.gz XEXVZHCFYIMGLW-LBPRGKRZSA-N 1 0 379.707 2.665 20 0 GFADRO CCCN(CC[NH+]1CCCCC1)S(=O)(=O)c1ncccc1C(F)(F)F ZINC000645713835 565554181 /nfs/dbraw/zinc/55/41/81/565554181.db2.gz PYGVNLCDLMBLMY-UHFFFAOYSA-N 1 0 379.448 2.987 20 0 GFADRO CCc1ccc(S(=O)(=O)N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1CC ZINC000624391415 565554584 /nfs/dbraw/zinc/55/45/84/565554584.db2.gz XABRQIKSWHBOBJ-ZBFHGGJFSA-N 1 0 378.460 2.959 20 0 GFADRO CCCOc1ccc(S(=O)(=O)N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1 ZINC000624390564 565554835 /nfs/dbraw/zinc/55/48/35/565554835.db2.gz DNPYMMKXUGBLSO-DOMZBBRYSA-N 1 0 380.432 2.623 20 0 GFADRO [NH3+]C[C@H]1CN(S(=O)(=O)Cc2ccc(Cl)c(F)c2)CC[C@H]1C(F)(F)F ZINC000624392561 565555682 /nfs/dbraw/zinc/55/56/82/565555682.db2.gz UEPFEZGEUQSHDE-WDEREUQCSA-N 1 0 388.814 2.768 20 0 GFADRO COc1cc(Br)c(S(=O)(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)cc1Cl ZINC000624405822 565555770 /nfs/dbraw/zinc/55/57/70/565555770.db2.gz QVMHPXAXBQDEOY-BDAKNGLRSA-N 1 0 397.722 2.530 20 0 GFADRO COc1cc(C[N@H+](C)C2(CO)CCC2)cc(I)c1OC ZINC000597254345 565558285 /nfs/dbraw/zinc/55/82/85/565558285.db2.gz JOEXAWPXBFZFNG-UHFFFAOYSA-N 1 0 391.249 2.655 20 0 GFADRO Cn1cc(Br)c2ccc(S(=O)(=O)NC(C)(C)C[NH+](C)C)cc21 ZINC000645752013 565558749 /nfs/dbraw/zinc/55/87/49/565558749.db2.gz YWOLVKRIDUSRJK-UHFFFAOYSA-N 1 0 388.331 2.559 20 0 GFADRO CNc1cc(I)ccc1C(=O)NCC12CCC[NH+]1CCC2 ZINC000597587477 565566342 /nfs/dbraw/zinc/56/63/42/565566342.db2.gz UZUVCTHNVIHLSU-UHFFFAOYSA-N 1 0 399.276 2.691 20 0 GFADRO COc1cc(Br)c(NC(=O)[C@H]2CCc3nc[nH]c3C2)cc1OC ZINC000667044934 565566614 /nfs/dbraw/zinc/56/66/14/565566614.db2.gz VBCIUTWFJGDMIC-VIFPVBQESA-N 1 0 380.242 2.933 20 0 GFADRO C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)c1ccc(F)c(I)c1 ZINC000597700181 565570373 /nfs/dbraw/zinc/57/03/73/565570373.db2.gz MERREJMPBHZKGX-TVQRCGJNSA-N 1 0 376.213 2.595 20 0 GFADRO C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1cc(I)ccc1F ZINC000597700979 565570645 /nfs/dbraw/zinc/57/06/45/565570645.db2.gz PQRQYDDAPCBAFC-ZANVPECISA-N 1 0 376.213 2.595 20 0 GFADRO C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)c1cc(F)c(F)cc1I ZINC000597698720 565570775 /nfs/dbraw/zinc/57/07/75/565570775.db2.gz HUPGKGUESSDYFD-ISVAXAHUSA-N 1 0 394.203 2.734 20 0 GFADRO C[C@H]1C[C@@H](NC(=O)N(CC[NH+](C)C)Cc2ccc(Br)cc2)CO1 ZINC000645890947 565571740 /nfs/dbraw/zinc/57/17/40/565571740.db2.gz GTYJSZIMYHENDS-XJKSGUPXSA-N 1 0 384.318 2.700 20 0 GFADRO COc1cc(CNC(=O)N2CC[C@H]([NH+]3CCCC3)C2)c(Br)cc1O ZINC000645922308 565573679 /nfs/dbraw/zinc/57/36/79/565573679.db2.gz OPUPFUPDXDFYTO-ZDUSSCGKSA-N 1 0 398.301 2.543 20 0 GFADRO CN(Cc1cc(Br)ccc1Cl)C(=O)NC[C@@H]1COCCN1C ZINC000624732378 565573931 /nfs/dbraw/zinc/57/39/31/565573931.db2.gz QZHRAJDSRFRSDY-CYBMUJFWSA-N 1 0 390.709 2.575 20 0 GFADRO Cc1c(Br)ccnc1NC(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000667166540 565574800 /nfs/dbraw/zinc/57/48/00/565574800.db2.gz ADBZFTQNGSQEBI-ZDUSSCGKSA-N 1 0 385.306 2.727 20 0 GFADRO COc1cc2[nH+]ccc(N[C@@H]3CCN(C4CCC4)C3=O)c2cc1Br ZINC000624783320 565576469 /nfs/dbraw/zinc/57/64/69/565576469.db2.gz JIQWOUXRGDNKNU-OAHLLOKOSA-N 1 0 390.281 2.993 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)c1csc(I)c1 ZINC000597858469 565577999 /nfs/dbraw/zinc/57/79/99/565577999.db2.gz LYLNHDREMJABQC-JTQLQIEISA-N 1 0 378.279 2.955 20 0 GFADRO COC(=O)c1cc(Br)cc(C(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)c1 ZINC000597859883 565578687 /nfs/dbraw/zinc/57/86/87/565578687.db2.gz HRGOMLHPTMVHBA-AWEZNQCLSA-N 1 0 383.286 2.838 20 0 GFADRO Cc1nn(C)c(NC(=O)N(C)C2C[NH2+]C2)c1-c1ccc(Br)cc1 ZINC000667287212 565580116 /nfs/dbraw/zinc/58/01/16/565580116.db2.gz LSUZVQUSSPQNPH-UHFFFAOYSA-N 1 0 378.274 2.594 20 0 GFADRO COCCOc1c(Cl)cc(NC(=O)N2CCO[C@H]([C@H](C)[NH3+])C2)cc1Cl ZINC000667318800 565581475 /nfs/dbraw/zinc/58/14/75/565581475.db2.gz YITFREDGAXQVTJ-HZMBPMFUSA-N 1 0 392.283 2.599 20 0 GFADRO Cc1sc(Br)c(C(=O)N2CCC[C@@](O)(C[NH+](C)C)C2)c1C ZINC000646023320 565582744 /nfs/dbraw/zinc/58/27/44/565582744.db2.gz RIGOOOOROZRUGJ-OAHLLOKOSA-N 1 0 375.332 2.656 20 0 GFADRO O=C(NC[C@H]1CCCC[NH2+]1)Nc1ccnn1Cc1cccc(Br)c1 ZINC000667432200 565586407 /nfs/dbraw/zinc/58/64/07/565586407.db2.gz JYOMVIMTUQLQNX-OAHLLOKOSA-N 1 0 392.301 2.958 20 0 GFADRO C[NH+]1CCC2(CC1)CN(Cc1nc3ccc(Br)cc3o1)CCO2 ZINC000646106644 565586400 /nfs/dbraw/zinc/58/64/00/565586400.db2.gz IOFBMZLBFNDGRI-UHFFFAOYSA-N 1 0 380.286 2.887 20 0 GFADRO Cc1nccc(NC(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1Br ZINC000667450560 565587887 /nfs/dbraw/zinc/58/78/87/565587887.db2.gz ACDZFVWSGSZJDQ-ZIAGYGMSSA-N 1 0 381.318 2.818 20 0 GFADRO CS(=O)(=O)NC1CC[NH+](Cc2cc3cc(Br)ccc3o2)CC1 ZINC000667492359 565589114 /nfs/dbraw/zinc/58/91/14/565589114.db2.gz FPFNOUVWCKQFHX-UHFFFAOYSA-N 1 0 387.299 2.709 20 0 GFADRO Cc1c(F)c(Br)ccc1NC(=O)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000667504566 565590998 /nfs/dbraw/zinc/59/09/98/565590998.db2.gz XAWIOTTUIMADHN-LBPRGKRZSA-N 1 0 388.281 2.865 20 0 GFADRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C(=O)Nc1ccccc1SCC(F)(F)F ZINC000667553639 565594733 /nfs/dbraw/zinc/59/47/33/565594733.db2.gz DWZSQMCBTQAPEN-QWRGUYRKSA-N 1 0 375.416 2.536 20 0 GFADRO CC[C@@H]1CN(C(=O)C(=O)Nc2ccc(Br)cc2Cl)CC[C@H]1[NH3+] ZINC000667552058 565594778 /nfs/dbraw/zinc/59/47/78/565594778.db2.gz MHAKXNGAWWBXRC-BXKDBHETSA-N 1 0 388.693 2.627 20 0 GFADRO CC[C@@H]1CN(C(=O)C(=O)Nc2c(C)cc(Br)cc2C)CC[C@H]1[NH3+] ZINC000667548515 565594830 /nfs/dbraw/zinc/59/48/30/565594830.db2.gz OSJQIRREQPFWLL-TZMCWYRMSA-N 1 0 382.302 2.590 20 0 GFADRO O=C(c1cc(Br)cc2[nH]c(=O)[nH]c21)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000667607614 565597163 /nfs/dbraw/zinc/59/71/63/565597163.db2.gz KYHGVACXWUQBPC-GFCCVEGCSA-N 1 0 393.285 2.731 20 0 GFADRO O=C(c1cc(-c2ccc(Br)cc2)n[nH]1)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000646344531 565598652 /nfs/dbraw/zinc/59/86/52/565598652.db2.gz LZEBPZMRUSVHFV-LRDDRELGSA-N 1 0 375.270 2.663 20 0 GFADRO O=C(c1cnc(-c2ccccc2Cl)s1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000646350225 565600212 /nfs/dbraw/zinc/60/02/12/565600212.db2.gz IQNULFXQTALARZ-CYBMUJFWSA-N 1 0 376.913 2.583 20 0 GFADRO CC(C)(C)c1ccc(Cl)cc1NC(=O)C(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000667684567 565601387 /nfs/dbraw/zinc/60/13/87/565601387.db2.gz MANJPBQRNWEWQC-LBPRGKRZSA-N 1 0 379.810 2.972 20 0 GFADRO C[N@@H+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)Cc1csc(-c2cccs2)n1 ZINC000646450831 565603391 /nfs/dbraw/zinc/60/33/91/565603391.db2.gz YYYSZWIDCPRNOJ-CABCVRRESA-N 1 0 377.535 2.736 20 0 GFADRO C[N@@H+]1CCC[C@@H]1[C@H]1COCCN1C(=O)CCc1cc(F)ccc1Br ZINC000646447331 565603727 /nfs/dbraw/zinc/60/37/27/565603727.db2.gz TUPXISVADUWLHC-IAGOWNOFSA-N 1 0 399.304 2.842 20 0 GFADRO C[N@@H+]1CCC[C@@H]1[C@H]1COCCN1C(=O)CCc1ccc(Br)cc1 ZINC000646446363 565603809 /nfs/dbraw/zinc/60/38/09/565603809.db2.gz ZPVKJUPTEJASAA-IAGOWNOFSA-N 1 0 381.314 2.703 20 0 GFADRO C[C@H](Oc1cccc(Br)c1)C(=O)N1CCOC[C@H]1[C@@H]1CCC[N@@H+]1C ZINC000646445551 565604060 /nfs/dbraw/zinc/60/40/60/565604060.db2.gz SVRMFPMNWLUGDG-JQFCIGGWSA-N 1 0 397.313 2.538 20 0 GFADRO Cc1c(C(=O)N2CC[C@H]([NH+](C)C)[C@H]2C)nnn1-c1cccc(Br)c1 ZINC000646476955 565605046 /nfs/dbraw/zinc/60/50/46/565605046.db2.gz ZEITWZMPRARESV-ABAIWWIYSA-N 1 0 392.301 2.503 20 0 GFADRO C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1cnn(-c2ccc(Br)cc2)c1 ZINC000646474657 565605117 /nfs/dbraw/zinc/60/51/17/565605117.db2.gz YYFZGCQTJVKILK-LRDDRELGSA-N 1 0 377.286 2.799 20 0 GFADRO C[NH+](C)C1CN(C(=O)Nc2cnc(-c3ccc(Br)s3)nc2)C1 ZINC000646540881 565606455 /nfs/dbraw/zinc/60/64/55/565606455.db2.gz NCSRXRTUWGJUIO-UHFFFAOYSA-N 1 0 382.287 2.745 20 0 GFADRO O=C(N[C@@H]1COc2cc(F)c(Br)cc21)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000646558759 565609451 /nfs/dbraw/zinc/60/94/51/565609451.db2.gz FZDQJUVCJXDMMH-FIXISWKDSA-N 1 0 383.261 2.774 20 0 GFADRO O=C(NC[C@@H]1CCCC[NH2+]1)[C@H](c1ccc(Cl)cc1Cl)N1CCOCC1 ZINC000646649373 565612522 /nfs/dbraw/zinc/61/25/22/565612522.db2.gz BUYUFFSYRZCTRF-YOEHRIQHSA-N 1 0 386.323 2.625 20 0 GFADRO Cc1cccc2sc(C(=O)N3CCC[C@H](C(=O)NCC[NH3+])C3)c(Cl)c21 ZINC000646665951 565613257 /nfs/dbraw/zinc/61/32/57/565613257.db2.gz AXECGOQNYIGWCB-LBPRGKRZSA-N 1 0 379.913 2.790 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C(=O)NC1CCC([NH3+])CC1 ZINC000646664739 565613263 /nfs/dbraw/zinc/61/32/63/565613263.db2.gz XAHUKYKFCZADSK-UHFFFAOYSA-N 1 0 377.286 2.943 20 0 GFADRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1cc(Br)cc2[nH]c(=O)[nH]c21 ZINC000646741839 565616737 /nfs/dbraw/zinc/61/67/37/565616737.db2.gz JJZSEIMNWMZGTD-GHMZBOCLSA-N 1 0 395.301 2.881 20 0 GFADRO O=C(Nc1nc2cc(I)ccc2[nH]1)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000598429624 565616969 /nfs/dbraw/zinc/61/69/69/565616969.db2.gz ZZMVXMRMNRPOMN-ZDUSSCGKSA-N 1 0 396.232 2.733 20 0 GFADRO CN(CCC[NH+](C)C)CCNC(=O)Nc1ccc(F)c(Br)c1F ZINC000668037183 565622533 /nfs/dbraw/zinc/62/25/33/565622533.db2.gz OKYBIYDUBSQJFA-UHFFFAOYSA-N 1 0 393.276 2.732 20 0 GFADRO COCC[N@@H+](Cc1cc(Br)cs1)C[C@@H](O)CC1(O)CCC1 ZINC000625370507 565624784 /nfs/dbraw/zinc/62/47/84/565624784.db2.gz LCWUIHGJNODBKC-ZDUSSCGKSA-N 1 0 378.332 2.625 20 0 GFADRO C[N@@H+]1C[C@@H]2CCN(C(=O)CCNc3ncc(C(F)(F)F)cc3Cl)[C@@H]2C1 ZINC000646933303 565626513 /nfs/dbraw/zinc/62/65/13/565626513.db2.gz ADZYDETVFXOMMN-GXFFZTMASA-N 1 0 376.810 2.718 20 0 GFADRO CC(C)[N@@H+]1CCCN(C(=O)c2cc(Br)cc3[nH]c(=O)[nH]c32)CC1 ZINC000668101194 565627137 /nfs/dbraw/zinc/62/71/37/565627137.db2.gz JASJHDLNGQATSC-UHFFFAOYSA-N 1 0 381.274 2.587 20 0 GFADRO CC(C)[C@@H]1CN(C(=O)c2c(F)cccc2I)CC[NH2+]1 ZINC000598575757 565627867 /nfs/dbraw/zinc/62/78/67/565627867.db2.gz WUJVGNRTVMLBOF-LBPRGKRZSA-N 1 0 376.213 2.500 20 0 GFADRO C[N@@H+]1CCCC[C@H](CNS(=O)(=O)c2ccc(F)c(Br)c2)C1 ZINC000625422604 565629537 /nfs/dbraw/zinc/62/95/37/565629537.db2.gz RPTJTRIBOARNPO-LLVKDONJSA-N 1 0 379.295 2.598 20 0 GFADRO C[N@@H+]1CCCC[C@@H](CNS(=O)(=O)c2cc(Br)ccc2F)C1 ZINC000625423799 565629698 /nfs/dbraw/zinc/62/96/98/565629698.db2.gz ZYDHGQZDBCCEIH-NSHDSACASA-N 1 0 379.295 2.598 20 0 GFADRO Cn1nc2cc(Br)ccc2c1C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000646966912 565630359 /nfs/dbraw/zinc/63/03/59/565630359.db2.gz BRYBBAUNAOARTR-GDLCADMTSA-N 1 0 377.286 2.535 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000646998224 565632216 /nfs/dbraw/zinc/63/22/16/565632216.db2.gz XCSMJMBAOQZTRQ-ZIAGYGMSSA-N 1 0 377.286 2.943 20 0 GFADRO CC[C@@H]1CN(C(=O)[C@@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)CC[C@@H]1[NH3+] ZINC000647012268 565632293 /nfs/dbraw/zinc/63/22/93/565632293.db2.gz QUIAUGWOYULYGC-ZLDLUXBVSA-N 1 0 384.307 2.932 20 0 GFADRO [NH3+][C@]12CCC[C@@H]1CN(C(=O)c1ccc(I)c(Cl)c1)C2 ZINC000598668518 565632588 /nfs/dbraw/zinc/63/25/88/565632588.db2.gz WCWUFUZVEINIDL-YGRLFVJLSA-N 1 0 390.652 2.898 20 0 GFADRO COC(=O)[C@@H](NC(=O)CC[C@H]1CCC[NH2+]C1)c1ccc(Br)cc1 ZINC000598663259 565632801 /nfs/dbraw/zinc/63/28/01/565632801.db2.gz BVJOEGAEUKKNTJ-WBMJQRKESA-N 1 0 383.286 2.559 20 0 GFADRO COC(=O)[C@@H](NC(=O)CC[C@H]1CCC[NH2+]C1)c1ccccc1Br ZINC000598669244 565634112 /nfs/dbraw/zinc/63/41/12/565634112.db2.gz XVQXPKHTNMHBDS-WBMJQRKESA-N 1 0 383.286 2.559 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)CCc2cc(Br)cs2)CC12CCOCC2 ZINC000647078615 565635723 /nfs/dbraw/zinc/63/57/23/565635723.db2.gz IRLTVQGZQSFOIE-GFCCVEGCSA-N 1 0 387.343 2.657 20 0 GFADRO C[C@@H]([NH3+])[C@@H](C)NC(=O)c1ccc(NC(=O)c2ccc(Br)o2)cc1 ZINC000647068053 565635767 /nfs/dbraw/zinc/63/57/67/565635767.db2.gz OBYSDKTTWAYIOH-NXEZZACHSA-N 1 0 380.242 2.760 20 0 GFADRO O=C1C[C@H](c2nc([C@H]3CCC[NH2+]3)no2)CN1c1cccc(Br)c1 ZINC000647152436 565641952 /nfs/dbraw/zinc/64/19/52/565641952.db2.gz FNRNITJOQUTJHW-GXFFZTMASA-N 1 0 377.242 2.777 20 0 GFADRO O=S1(=O)CC[C@H](C[NH2+]Cc2cc(OC(F)F)ccc2Br)C1 ZINC000647169434 565642999 /nfs/dbraw/zinc/64/29/99/565642999.db2.gz MPCBWJVUFNNPIC-SECBINFHSA-N 1 0 384.242 2.575 20 0 GFADRO COc1ccccc1[C@H]([NH3+])CNS(=O)(=O)c1ccc(C)cc1Br ZINC000647186074 565644139 /nfs/dbraw/zinc/64/41/39/565644139.db2.gz AYQWRUKSKAFKJD-CQSZACIVSA-N 1 0 399.310 2.744 20 0 GFADRO COc1cc(Br)c(C[NH2+]CC(C)(C)[C@@]2(O)CCOC2)c(OC)c1 ZINC000647246480 565648700 /nfs/dbraw/zinc/64/87/00/565648700.db2.gz HMMWOIHMYPIAEJ-QGZVFWFLSA-N 1 0 388.302 2.734 20 0 GFADRO CO[C@H](CS(=O)(=O)Nc1cc(Cl)ccc1N1CC[NH+](C)CC1)C(C)C ZINC000647266343 565650467 /nfs/dbraw/zinc/65/04/67/565650467.db2.gz RFCIEXYSLJQTRZ-QGZVFWFLSA-N 1 0 389.949 2.505 20 0 GFADRO C[C@H]1C[C@H](C[NH3+])CN1S(=O)(=O)Cc1ccc(Br)cc1Cl ZINC000647265511 565650703 /nfs/dbraw/zinc/65/07/03/565650703.db2.gz PNEUUWWUQZTKST-VHSXEESVSA-N 1 0 381.723 2.601 20 0 GFADRO O=S(=O)(c1cc(Br)sc1Cl)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000647264350 565650890 /nfs/dbraw/zinc/65/08/90/565650890.db2.gz YYFQMKUNPLLSJR-JGVFFNPUSA-N 1 0 385.736 2.537 20 0 GFADRO CC(C)(C)NS(=O)(=O)CC[NH2+]Cc1ccc(C(=O)OC(C)(C)C)s1 ZINC000598963643 565651895 /nfs/dbraw/zinc/65/18/95/565651895.db2.gz NASULEXEKWJHNZ-UHFFFAOYSA-N 1 0 376.544 2.511 20 0 GFADRO C[C@H]1[NH2+]CCN(S(=O)(=O)Cc2ccc(Br)cc2Cl)[C@@H]1C ZINC000647287095 565654029 /nfs/dbraw/zinc/65/40/29/565654029.db2.gz KPYHBBTXTLNEJO-NXEZZACHSA-N 1 0 381.723 2.615 20 0 GFADRO O=C1CNC(=O)N1CCC[N@H+]1CC[C@H](Sc2ccc(Br)cc2)C1 ZINC000625704974 565655510 /nfs/dbraw/zinc/65/55/10/565655510.db2.gz OOKUHAMXKWYGJN-AWEZNQCLSA-N 1 0 398.326 2.557 20 0 GFADRO CC(C)(C)[C@H](C[NH3+])NS(=O)(=O)Cc1ccc(Br)cc1Cl ZINC000647324258 565657675 /nfs/dbraw/zinc/65/76/75/565657675.db2.gz QDEYEIACYJZVIU-LBPRGKRZSA-N 1 0 383.739 2.895 20 0 GFADRO O=S(=O)(c1ccc(Br)s1)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000647323464 565657905 /nfs/dbraw/zinc/65/79/05/565657905.db2.gz OIYLGNSPJJZRMY-QWRGUYRKSA-N 1 0 379.345 2.521 20 0 GFADRO [NH3+]C[C@@H]1CC[C@@H](NS(=O)(=O)Cc2ccc(Br)cc2Cl)C1 ZINC000647324531 565658273 /nfs/dbraw/zinc/65/82/73/565658273.db2.gz ZFKWMGXKHIKDCX-BXKDBHETSA-N 1 0 381.723 2.649 20 0 GFADRO COc1ncc(C[NH2+][C@@]2(CO)CCc3cc(Br)ccc3C2)c(C)n1 ZINC000625796041 565660806 /nfs/dbraw/zinc/66/08/06/565660806.db2.gz DDWVNPUWKNNSCC-SFHVURJKSA-N 1 0 392.297 2.566 20 0 GFADRO Brc1ccc2ncc(C[N@H+](CCN3CCOCC3)CC3CC3)n2c1 ZINC000668682089 565660955 /nfs/dbraw/zinc/66/09/55/565660955.db2.gz VZUIRDZYPAXIGO-UHFFFAOYSA-N 1 0 393.329 2.641 20 0 GFADRO CCN(C(=O)C(=O)N[C@@H]1CCSc2ccc(Cl)cc21)[C@H]1CC[N@H+](C)C1 ZINC000668708143 565661853 /nfs/dbraw/zinc/66/18/53/565661853.db2.gz TWOOKOITZWXDGX-DZGCQCFKSA-N 1 0 381.929 2.546 20 0 GFADRO COc1cc(CN2CCO[C@@H]([C@@H](C)[NH3+])C2)cc(Br)c1OC(F)F ZINC000647508122 565661884 /nfs/dbraw/zinc/66/18/84/565661884.db2.gz IBIRZAYLKQYBOD-NOZJJQNGSA-N 1 0 395.244 2.607 20 0 GFADRO C[NH2+]CCOCCNC(=O)Nc1cc(Br)ccc1Br ZINC000625841437 565662550 /nfs/dbraw/zinc/66/25/50/565662550.db2.gz GLYBZWJCWSVIPK-UHFFFAOYSA-N 1 0 395.095 2.569 20 0 GFADRO CN(CCOCC[NH3+])C(=O)Nc1cc(Br)ccc1Br ZINC000625841999 565662652 /nfs/dbraw/zinc/66/26/52/565662652.db2.gz MQHSIYRNZSVFIO-UHFFFAOYSA-N 1 0 395.095 2.651 20 0 GFADRO COCCOc1ccc(Br)cc1NC(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000625875978 565663635 /nfs/dbraw/zinc/66/36/35/565663635.db2.gz QUYHQRGZHXYRRZ-YPMHNXCESA-N 1 0 386.290 2.736 20 0 GFADRO [NH3+]C1(CNC(=O)Nc2cc(Cl)c(Br)cc2F)CCOCC1 ZINC000625901560 565666079 /nfs/dbraw/zinc/66/60/79/565666079.db2.gz MKOBKNDSNNDWBD-UHFFFAOYSA-N 1 0 380.645 2.871 20 0 GFADRO C[C@@H]1C[NH+](C[C@@H](O)Cn2cc(-c3ccc(Br)cc3)cn2)C[C@@H](C)O1 ZINC000647611212 565666625 /nfs/dbraw/zinc/66/66/25/565666625.db2.gz YTRJGFAYHGOXML-HBUWYVDXSA-N 1 0 394.313 2.783 20 0 GFADRO COC(=O)[C@@]1(C)CC[N@@H+]([C@H]2CCc3cc(Br)ccc3NC2=O)C1 ZINC000599312846 565668264 /nfs/dbraw/zinc/66/82/64/565668264.db2.gz USYUGWLYHBMPBA-YOEHRIQHSA-N 1 0 381.270 2.587 20 0 GFADRO C[N@@H+]1CCCC[C@H]1C(=O)N1CCN(Cc2ccc(Br)s2)CC1 ZINC000599299278 565668556 /nfs/dbraw/zinc/66/85/56/565668556.db2.gz JDARNWTZXLMZPM-AWEZNQCLSA-N 1 0 386.359 2.639 20 0 GFADRO O=C(NCCN1CC[NH2+]CC1)C1(c2ccc(Br)cc2)CCCCC1 ZINC000647677267 565670404 /nfs/dbraw/zinc/67/04/04/565670404.db2.gz KDMHAJBQYKROQL-UHFFFAOYSA-N 1 0 394.357 2.672 20 0 GFADRO COc1cc(Br)ccc1C(=O)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000647667697 565670494 /nfs/dbraw/zinc/67/04/94/565670494.db2.gz RYQUQAAIWSIULR-HNNXBMFYSA-N 1 0 397.313 2.785 20 0 GFADRO CC(C)Oc1cc(Br)cc(C(=O)N2CC[C@H]([N@@H+]3CC[C@@H](O)C3)C2)c1 ZINC000647706829 565671982 /nfs/dbraw/zinc/67/19/82/565671982.db2.gz RCHZDPNECFEDGY-JKSUJKDBSA-N 1 0 397.313 2.517 20 0 GFADRO C[C@@H]1C[C@H](c2ccc(Br)cc2)C[N@@H+]1CCCN1C(=O)CNC1=O ZINC000626040204 565672062 /nfs/dbraw/zinc/67/20/62/565672062.db2.gz ZCJNKEUVWJWCTD-OCCSQVGLSA-N 1 0 380.286 2.569 20 0 GFADRO CC(=O)NC[C@@H]1CCCC[N@@H+]1C[C@@H](O)COc1cc(Cl)ccc1Cl ZINC000626154171 565679117 /nfs/dbraw/zinc/67/91/17/565679117.db2.gz IWPZHTWMYVNJBK-LSDHHAIUSA-N 1 0 375.296 2.724 20 0 GFADRO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1nn(-c2ccc(F)cc2)cc1Br ZINC000647832568 565679625 /nfs/dbraw/zinc/67/96/25/565679625.db2.gz BIAYKTJHKKFDBY-ABAIWWIYSA-N 1 0 395.276 2.939 20 0 GFADRO O=C(N[C@@H]1CCOc2ccc(Br)cc21)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000669406811 565687752 /nfs/dbraw/zinc/68/77/52/565687752.db2.gz PPIUVYWOUCTFDP-GLQYFDAESA-N 1 0 380.286 2.666 20 0 GFADRO Brc1cc(CN2CC[C@@H](Nc3ncccn3)C2)cc2c1OCO2 ZINC000648049568 565688248 /nfs/dbraw/zinc/68/82/48/565688248.db2.gz MQZSHMMWBUZCGC-GFCCVEGCSA-N 1 0 377.242 2.654 20 0 GFADRO CCSc1ccc(CC(=O)NCCOCC[NH+](C)C)c(Br)c1 ZINC000626375387 565688878 /nfs/dbraw/zinc/68/88/78/565688878.db2.gz SHIKSNVZIAIHNH-UHFFFAOYSA-N 1 0 389.359 2.798 20 0 GFADRO COC(=O)[C@@]1(OC)CC[N@H+](CCC(=O)Nc2c(Cl)cccc2Cl)C1 ZINC000599569429 565689251 /nfs/dbraw/zinc/68/92/51/565689251.db2.gz MJNVJVAXRPHWFH-MRXNPFEDSA-N 1 0 375.252 2.586 20 0 GFADRO C[C@H](CNC(=O)N1CC[C@H]2CC[NH2+][C@H]2C1)Oc1cccc(Br)c1 ZINC000669505935 565691244 /nfs/dbraw/zinc/69/12/44/565691244.db2.gz WMEAFOJJUKEPAP-IOASZLSFSA-N 1 0 382.302 2.610 20 0 GFADRO [NH3+]C1(C(=O)N2CCN(Cc3cc(Br)ccc3F)CC2)CCCC1 ZINC000648174596 565691916 /nfs/dbraw/zinc/69/19/16/565691916.db2.gz PNDFCNKYSARJPY-UHFFFAOYSA-N 1 0 384.293 2.504 20 0 GFADRO CC(C)[C@H]([NH3+])C(=O)NCC(=O)NCC1(c2ccc(Cl)cc2Cl)CCC1 ZINC000648164955 565692369 /nfs/dbraw/zinc/69/23/69/565692369.db2.gz LOPYQRUSIBPVND-INIZCTEOSA-N 1 0 386.323 2.631 20 0 GFADRO CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)N[C@H]1CCC[NH2+]CC1 ZINC000669551772 565692478 /nfs/dbraw/zinc/69/24/78/565692478.db2.gz OUODQWSONNDMQY-RCBQFDQVSA-N 1 0 384.318 2.966 20 0 GFADRO CO[C@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)N[C@H]1CCC[NH2+]CC1 ZINC000669551770 565692830 /nfs/dbraw/zinc/69/28/30/565692830.db2.gz OUODQWSONNDMQY-KCXAZCMYSA-N 1 0 384.318 2.966 20 0 GFADRO C[C@H]([NH3+])CNC(=O)N[C@H](Cc1ccccn1)c1ccc(Br)cc1 ZINC000669568704 565693288 /nfs/dbraw/zinc/69/32/88/565693288.db2.gz JNBRUJGXGNRXLC-BLLLJJGKSA-N 1 0 377.286 2.774 20 0 GFADRO CC(C)Oc1ccc(Br)cc1NC(=O)NC[C@@H]1COCCN1C ZINC000626450324 565693851 /nfs/dbraw/zinc/69/38/51/565693851.db2.gz FDYATIWJDVSGML-CYBMUJFWSA-N 1 0 386.290 2.688 20 0 GFADRO C[C@H](NC(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1)c1ncc(Br)cn1 ZINC000669591099 565694293 /nfs/dbraw/zinc/69/42/93/565694293.db2.gz IWSHQJZBNVJCSK-MJBXVCDLSA-N 1 0 396.333 2.721 20 0 GFADRO COC(=O)CNC(=O)CC[N@@H+]1CCC[C@H]1c1ccc(Br)cc1C ZINC000599635228 565695337 /nfs/dbraw/zinc/69/53/37/565695337.db2.gz DOZJHGASZBKGOE-HNNXBMFYSA-N 1 0 383.286 2.574 20 0 GFADRO CN1CCOC[C@H]1CNC(=O)Nc1nc2c(cccc2Br)s1 ZINC000626565252 565700359 /nfs/dbraw/zinc/70/03/59/565700359.db2.gz QNOWYFHPDBRPTB-SECBINFHSA-N 1 0 385.287 2.511 20 0 GFADRO CN1C(=O)N[C@]2(CCC[C@@H]2C[NH2+][C@@H]2CCc3ccc(Br)cc32)C1=O ZINC000669848658 565704603 /nfs/dbraw/zinc/70/46/03/565704603.db2.gz JXEKXMOEAYNFKJ-DWQUBVKVSA-N 1 0 392.297 2.747 20 0 GFADRO CC[N@@H+]1C[C@@H](C)N(C(=O)c2c3ccc(Br)cc3nn2C)C[C@H]1C ZINC000648341003 565704655 /nfs/dbraw/zinc/70/46/55/565704655.db2.gz FLGTZQLDBIDWEO-VXGBXAGGSA-N 1 0 379.302 2.891 20 0 GFADRO CCN(CC[NH3+])C(=O)N[C@H](C)CCc1ccc(I)cc1 ZINC000599915600 565705866 /nfs/dbraw/zinc/70/58/66/565705866.db2.gz ATFGJINHDKDWFW-GFCCVEGCSA-N 1 0 389.281 2.603 20 0 GFADRO C[C@H]([NH2+]CC(=O)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1)c1ccsc1 ZINC000669938051 565707903 /nfs/dbraw/zinc/70/79/03/565707903.db2.gz BUYGKRDYJMUGAX-ZFWWWQNUSA-N 1 0 398.575 2.676 20 0 GFADRO O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000626848728 565712923 /nfs/dbraw/zinc/71/29/23/565712923.db2.gz HLNZKMJJHISITF-LBPRGKRZSA-N 1 0 375.778 2.698 20 0 GFADRO Cc1ccc(NC(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)c(Cl)c1 ZINC000626861168 565713068 /nfs/dbraw/zinc/71/30/68/565713068.db2.gz LLIKZBVKLRFHSV-WDEREUQCSA-N 1 0 377.794 2.573 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)C(=O)Nc2cccc(Cl)c2Cl)CC[C@H]1C(F)(F)F ZINC000626860342 565713102 /nfs/dbraw/zinc/71/31/02/565713102.db2.gz DOEYUACQDFDMRT-DTWKUNHWSA-N 1 0 398.212 2.918 20 0 GFADRO COc1ccc(CNC(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)cc1Br ZINC000626963754 565717005 /nfs/dbraw/zinc/71/70/05/565717005.db2.gz ASVVTTRZAVXBJL-CALCHBBNSA-N 1 0 382.302 2.599 20 0 GFADRO C[NH2+]CCOCCNC(=O)N[C@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000627016560 565719722 /nfs/dbraw/zinc/71/97/22/565719722.db2.gz MVFHIQYWUSQAHS-HNNXBMFYSA-N 1 0 388.281 2.575 20 0 GFADRO COCC[NH2+]CCNC(=O)N1C[C@@H](c2ccc(Br)cc2)C[C@@H]1C ZINC000627083896 565721881 /nfs/dbraw/zinc/72/18/81/565721881.db2.gz WYNZJFGUWFWWPK-ZFWWWQNUSA-N 1 0 384.318 2.573 20 0 GFADRO C[C@@H]1C[C@H](c2ccc(Br)cc2)CN1C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000627103636 565721988 /nfs/dbraw/zinc/72/19/88/565721988.db2.gz VYBXCRKQSLFIJM-KMFMINBZSA-N 1 0 396.329 2.715 20 0 GFADRO [NH3+]C1(CNC(=O)NC(CCC(F)(F)F)CCC(F)(F)F)CCOCC1 ZINC000627116814 565722037 /nfs/dbraw/zinc/72/20/37/565722037.db2.gz NWPBPPNQJHJLGT-UHFFFAOYSA-N 1 0 379.345 2.847 20 0 GFADRO O=C(c1cc(Br)ccc1F)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000670394081 565722113 /nfs/dbraw/zinc/72/21/13/565722113.db2.gz SHCQGZPERWPXGW-AWEZNQCLSA-N 1 0 385.277 2.915 20 0 GFADRO C[C@H](NC(=O)NCC1([NH3+])CCOCC1)c1cc(F)c(Br)cc1F ZINC000627125605 565722360 /nfs/dbraw/zinc/72/23/60/565722360.db2.gz ITVUXRRYNUCXTM-VIFPVBQESA-N 1 0 392.244 2.595 20 0 GFADRO C[C@@H]1CC[C@@H](NC(=O)N2CCO[C@H](c3ccc(Br)cc3)C2)C[NH2+]1 ZINC000627194774 565726308 /nfs/dbraw/zinc/72/63/08/565726308.db2.gz HACVHQZAHACAQF-WQVCFCJDSA-N 1 0 382.302 2.673 20 0 GFADRO COCCN(Cc1cc(Br)cs1)C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000627201575 565726350 /nfs/dbraw/zinc/72/63/50/565726350.db2.gz BPQCIYBTLCFZQM-YPMHNXCESA-N 1 0 390.347 2.809 20 0 GFADRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCO[C@@H](c2cc(F)c(Cl)cc2Cl)C1 ZINC000627238241 565726923 /nfs/dbraw/zinc/72/69/23/565726923.db2.gz DJOKBACPMHVBQO-TZTCFGBESA-N 1 0 376.259 2.966 20 0 GFADRO CC(C)[C@](C)(NC(=O)NCCOCCC[NH3+])c1ccc(Br)cc1 ZINC000627217098 565727348 /nfs/dbraw/zinc/72/73/48/565727348.db2.gz CPUGOVNLWKSMHG-KRWDZBQOSA-N 1 0 386.334 2.985 20 0 GFADRO C[C@H](CC(=O)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1)c1ccc(Br)cc1 ZINC000627261207 565728794 /nfs/dbraw/zinc/72/87/94/565728794.db2.gz VULMFDVCXSIPHV-XYPHTWIQSA-N 1 0 381.314 2.610 20 0 GFADRO CC(C)Oc1cc(C(=O)N2CC[C@H]([N@@H+]3CC[C@@H](O)C3)C2)ccc1Br ZINC000627270308 565729478 /nfs/dbraw/zinc/72/94/78/565729478.db2.gz FVWBTCYPUUKQFE-LSDHHAIUSA-N 1 0 397.313 2.517 20 0 GFADRO CCc1nn(C)cc1C[NH2+]C[C@@H](CO)Cc1ccc(C)c(Br)c1 ZINC000648787031 565729568 /nfs/dbraw/zinc/72/95/68/565729568.db2.gz UCDJCGXVTHFWCI-HNNXBMFYSA-N 1 0 380.330 2.994 20 0 GFADRO CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N[C@H](C)c2ccc(Br)cc2)C1 ZINC000670572173 565729767 /nfs/dbraw/zinc/72/97/67/565729767.db2.gz FNCVFPBRTFULBE-CJNGLKHVSA-N 1 0 396.329 2.615 20 0 GFADRO CCc1nn(C)cc1C[NH2+]C[C@H](CO)Cc1ccc(F)c(Br)c1 ZINC000648815233 565732565 /nfs/dbraw/zinc/73/25/65/565732565.db2.gz QULRDKOMNRZKCG-CYBMUJFWSA-N 1 0 384.293 2.825 20 0 GFADRO C[NH+]1CCC(CCO)(NC(=O)c2cc3c(cncc3Br)s2)CC1 ZINC000648854506 565734164 /nfs/dbraw/zinc/73/41/64/565734164.db2.gz FKOMPWMGTIPLQJ-UHFFFAOYSA-N 1 0 398.326 2.635 20 0 GFADRO Cn1nc2cc(Br)ccc2c1C(=O)NCC1(C)CC[NH+](C)CC1 ZINC000648856315 565734653 /nfs/dbraw/zinc/73/46/53/565734653.db2.gz BMQOMRLMANQZNA-UHFFFAOYSA-N 1 0 379.302 2.798 20 0 GFADRO C[C@H]1CC[C@@H](NC(=O)C(=O)N(Cc2ccc(Cl)c(Cl)c2)C2CC2)C[NH2+]1 ZINC000627484424 565737344 /nfs/dbraw/zinc/73/73/44/565737344.db2.gz YDYOTCXSXJZUCS-WCQYABFASA-N 1 0 384.307 2.741 20 0 GFADRO CCCN(C(=O)c1cnc2ncc(Br)cc2c1)[C@@H]1CC[N@H+](C)C1 ZINC000648996937 565743861 /nfs/dbraw/zinc/74/38/61/565743861.db2.gz FFDVXLHIGOSTPE-OAHLLOKOSA-N 1 0 377.286 2.949 20 0 GFADRO Cc1ccc(Br)cc1CC(=O)N1CCOC2(CC[NH+](C)CC2)C1 ZINC000649128852 565748990 /nfs/dbraw/zinc/74/89/90/565748990.db2.gz BFKYHTRLHTWHAQ-UHFFFAOYSA-N 1 0 381.314 2.623 20 0 GFADRO CC[N@@H+]1CCCC[C@@H]1CNS(=O)(=O)c1ccc(Br)c(C)c1 ZINC000600779149 565749002 /nfs/dbraw/zinc/74/90/02/565749002.db2.gz VZPPGYVAYCRZLW-CYBMUJFWSA-N 1 0 375.332 2.910 20 0 GFADRO O=C(Cc1cscc1Br)N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000627742002 565749569 /nfs/dbraw/zinc/74/95/69/565749569.db2.gz DVBRGEMNININAQ-UHFFFAOYSA-N 1 0 387.343 2.766 20 0 GFADRO O=C(CN1CCC[C@H]([NH+]2CCOCC2)CC1)Nc1ccccc1Br ZINC000670986284 565749871 /nfs/dbraw/zinc/74/98/71/565749871.db2.gz RWUFZTYLWVFBAV-HNNXBMFYSA-N 1 0 396.329 2.574 20 0 GFADRO C[NH+]1CCC2(CC1)CN(C(=O)c1cc3cc(Br)ccc3[nH]1)CCO2 ZINC000649135451 565750743 /nfs/dbraw/zinc/75/07/43/565750743.db2.gz YPBZSJCROHKIPE-UHFFFAOYSA-N 1 0 392.297 2.867 20 0 GFADRO Brc1ccccc1N1CC[C@H]([NH2+]C[C@H]2CNc3ccnn3C2)C1 ZINC000600815366 565751548 /nfs/dbraw/zinc/75/15/48/565751548.db2.gz XJNOZQHYAFIYNF-KBPBESRZSA-N 1 0 376.302 2.556 20 0 GFADRO C[C@H](NC(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1cccc(Cl)c1Cl ZINC000671107468 565752153 /nfs/dbraw/zinc/75/21/53/565752153.db2.gz GULNMAIJJZAISL-AVGNSLFASA-N 1 0 384.307 2.914 20 0 GFADRO Cc1cccc(C[C@H](CO)[NH2+][C@@H](C)Cn2cc(Br)ccc2=O)c1 ZINC000671121002 565752851 /nfs/dbraw/zinc/75/28/51/565752851.db2.gz XNUIFCFKFLIABY-WMLDXEAASA-N 1 0 379.298 2.501 20 0 GFADRO CC[C@@H](Cn1cncn1)[NH2+]CCc1cn2cc(Br)cc(C)c2n1 ZINC000671120680 565753174 /nfs/dbraw/zinc/75/31/74/565753174.db2.gz IBQIMRBGVRRBDH-AWEZNQCLSA-N 1 0 377.290 2.608 20 0 GFADRO [NH3+][C@H](C(=O)NC[C@H](c1cccs1)N1CCOCC1)c1cccc(Cl)c1 ZINC000649277250 565757371 /nfs/dbraw/zinc/75/73/71/565757371.db2.gz POPOXPWLCKMOPF-WBVHZDCISA-N 1 0 379.913 2.591 20 0 GFADRO O=C(Cc1csc(-c2cccc(Br)c2)n1)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000649363209 565759537 /nfs/dbraw/zinc/75/95/37/565759537.db2.gz ASTOQSHTOBXVPN-STQMWFEESA-N 1 0 398.301 2.931 20 0 GFADRO COC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+][C@H](C)c1cc(C)c(Br)s1 ZINC000601144635 565768523 /nfs/dbraw/zinc/76/85/23/565768523.db2.gz BJJMDVDVGDTMOA-UTLUCORTSA-N 1 0 377.304 2.536 20 0 GFADRO C[C@H]([NH2+]Cc1cc(Cl)cc(S(N)(=O)=O)c1)[C@@H]1OCCc2sccc21 ZINC000649617420 565769670 /nfs/dbraw/zinc/76/96/70/565769670.db2.gz HSCRRRRLLQUIOA-QFYYESIMSA-N 1 0 386.926 2.841 20 0 GFADRO CC[N@H+](CCO)Cc1cc(Cl)cc(Cl)c1OCCN1CCOCC1 ZINC000628119415 565774374 /nfs/dbraw/zinc/77/43/74/565774374.db2.gz RFKQRZXLAQDGSQ-UHFFFAOYSA-N 1 0 377.312 2.519 20 0 GFADRO C[C@H](C(=O)N1CCC([NH+]2CCOCC2)CC1)c1cccc(Br)c1 ZINC000628122178 565774791 /nfs/dbraw/zinc/77/47/91/565774791.db2.gz NBVDQAKHBMNBPO-AWEZNQCLSA-N 1 0 381.314 2.876 20 0 GFADRO CN(CCCC[NH+](C)C)S(=O)(=O)Cc1ccc(Br)c(F)c1 ZINC000649826118 565780722 /nfs/dbraw/zinc/78/07/22/565780722.db2.gz RKXCKGSUDJBFCB-UHFFFAOYSA-N 1 0 381.311 2.692 20 0 GFADRO COc1cc(C[N@H+](C)[C@@]2(CO)CCOC2)cc(Br)c1OC(F)F ZINC000628366515 565786381 /nfs/dbraw/zinc/78/63/81/565786381.db2.gz QNQGIZXEKUUMTN-OAHLLOKOSA-N 1 0 396.228 2.642 20 0 GFADRO OC[C@]12CCC[C@H]1C[N@H+](Cc1ccc(Br)cc1N1CCOCC1)C2 ZINC000628461571 565790877 /nfs/dbraw/zinc/79/08/77/565790877.db2.gz GZJKOYBVMIIQRU-QFBILLFUSA-N 1 0 395.341 2.880 20 0 GFADRO COC(=O)c1c(Br)ccc(NC(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)c1C ZINC000601561607 565792096 /nfs/dbraw/zinc/79/20/96/565792096.db2.gz XVROTAKDIZDBIB-PHIMTYICSA-N 1 0 382.258 2.512 20 0 GFADRO CSC1(CNC(=O)c2c(F)cncc2Br)CC[NH+](C)CC1 ZINC000601588695 565793269 /nfs/dbraw/zinc/79/32/69/565793269.db2.gz LVMFEXHYVBEBQN-UHFFFAOYSA-N 1 0 376.295 2.540 20 0 GFADRO C[C@@H](NC(=O)C(=O)N(C)Cc1ccc(Cl)c(Cl)c1)C1CC[NH+](C)CC1 ZINC000672009628 565794226 /nfs/dbraw/zinc/79/42/26/565794226.db2.gz BJRYYLNIOUYRJH-GFCCVEGCSA-N 1 0 386.323 2.798 20 0 GFADRO C[C@@H]1[C@@H](C)[N@@H+](C)C[C@H](C)N1C(=O)c1cnc2ncc(Br)cc2c1 ZINC000650155299 565800109 /nfs/dbraw/zinc/80/01/09/565800109.db2.gz YBZYGGSCLZNXIN-QJPTWQEYSA-N 1 0 377.286 2.945 20 0 GFADRO C[NH+]1CCC(CC(=O)N[C@@]2(CO)CCc3cc(Br)ccc3C2)CC1 ZINC000628680884 565802324 /nfs/dbraw/zinc/80/23/24/565802324.db2.gz INIHHHBIIHVURH-IBGZPJMESA-N 1 0 395.341 2.517 20 0 GFADRO CCC1([NH+](C)C)CCN(C(=O)c2cncc(I)c2)CC1 ZINC000601792366 565803698 /nfs/dbraw/zinc/80/36/98/565803698.db2.gz WUDAVXLEATVZGG-UHFFFAOYSA-N 1 0 387.265 2.633 20 0 GFADRO C[N@@H+]1CCCC[C@@H](CNC(=O)[C@@H]2CCO[C@H]2c2cncc(Br)c2)C1 ZINC000628756499 565806357 /nfs/dbraw/zinc/80/63/57/565806357.db2.gz VOMRKTHULAVKFQ-XKQJLSEDSA-N 1 0 396.329 2.770 20 0 GFADRO O=C1CC[C@@H]([NH2+]CCSCCOc2cccc(Br)c2)CCN1 ZINC000602009549 565814834 /nfs/dbraw/zinc/81/48/34/565814834.db2.gz XNQOOHYKFRTMBN-CQSZACIVSA-N 1 0 387.343 2.819 20 0 GFADRO C[C@@H](NC(=O)Nc1cccc2cc(Br)cnc21)[C@H]1CN(C)CCO1 ZINC000672774792 565816411 /nfs/dbraw/zinc/81/64/11/565816411.db2.gz RTEIDCCFILLQIS-IAQYHMDHSA-N 1 0 393.285 2.838 20 0 GFADRO O=C(Nc1ccc2nccnc2c1Br)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000672815766 565818427 /nfs/dbraw/zinc/81/84/27/565818427.db2.gz AOFRZPVKAMVDJP-GFCCVEGCSA-N 1 0 390.285 2.998 20 0 GFADRO CCOC(=O)[C@H](Cc1cc(Cl)cc(Cl)c1)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC000602118235 565823604 /nfs/dbraw/zinc/82/36/04/565823604.db2.gz IMGUODRBBJVOEG-WBMJQRKESA-N 1 0 387.307 2.926 20 0 GFADRO Cc1cc(NC(=O)C(=O)N(C)CCCC[NH+](C)C)c(F)cc1Br ZINC000672970864 565823873 /nfs/dbraw/zinc/82/38/73/565823873.db2.gz YAZUJVNABWNQIR-UHFFFAOYSA-N 1 0 388.281 2.635 20 0 GFADRO Cc1onc(-c2ccc(Cl)cc2Cl)c1C(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000629166717 565827503 /nfs/dbraw/zinc/82/75/03/565827503.db2.gz BRMHYWXUMKSSKN-GFCCVEGCSA-N 1 0 384.263 2.753 20 0 GFADRO C[NH+](C)CCOc1cc(-c2noc(-c3nscc3Br)n2)ccn1 ZINC000650571895 565828567 /nfs/dbraw/zinc/82/85/67/565828567.db2.gz CYSCHBSTEVRFTL-UHFFFAOYSA-N 1 0 396.270 2.958 20 0 GFADRO CC[C@H](C)[NH2+][C@@H](CNC(=O)Cc1cc[nH]c(=O)c1Br)c1ccco1 ZINC000673290793 565831214 /nfs/dbraw/zinc/83/12/14/565831214.db2.gz LZIOKCIFMWRKSG-AAEUAGOBSA-N 1 0 396.285 2.931 20 0 GFADRO COCC[N@@H+]1CCN(C(=O)Cc2cscc2Br)C(C)(C)C1 ZINC000650828662 565836288 /nfs/dbraw/zinc/83/62/88/565836288.db2.gz PZLRGOLDHHKRKG-UHFFFAOYSA-N 1 0 375.332 2.622 20 0 GFADRO C[NH+](C)C[C@H](CNC(=O)CNC(=O)c1cccs1)c1ccc(Cl)cc1 ZINC000673483790 565836391 /nfs/dbraw/zinc/83/63/91/565836391.db2.gz UXXJBNSPOQKFBS-AWEZNQCLSA-N 1 0 379.913 2.593 20 0 GFADRO Cc1cc2cc(C(=O)N3CC[C@H]([N@@H+]4CC[C@H](O)C4)C3)oc2c(Br)c1 ZINC000673516857 565838287 /nfs/dbraw/zinc/83/82/87/565838287.db2.gz SQXKCPXGSFWPIQ-KBPBESRZSA-N 1 0 393.281 2.785 20 0 GFADRO O=C(c1csc(-c2ccc(Cl)s2)n1)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000673518271 565838616 /nfs/dbraw/zinc/83/86/16/565838616.db2.gz UUHOYJCWCRZVSJ-QWRGUYRKSA-N 1 0 383.926 2.806 20 0 GFADRO O=C(c1csc(-c2ccccc2Cl)n1)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000673512274 565838968 /nfs/dbraw/zinc/83/89/68/565838968.db2.gz BQEJCONVSZHENY-STQMWFEESA-N 1 0 377.897 2.745 20 0 GFADRO CN(C)S(=O)(=O)N1CCC[C@@H]([NH2+]Cc2cnc(C3CCCCC3)s2)C1 ZINC000673611122 565843144 /nfs/dbraw/zinc/84/31/44/565843144.db2.gz GUIZHKCZJAEWIA-OAHLLOKOSA-N 1 0 386.587 2.551 20 0 GFADRO Cc1cc(C(=O)N2CC[C@H](C[NH3+])C2)c(I)cc1Cl ZINC000602427633 565847181 /nfs/dbraw/zinc/84/71/81/565847181.db2.gz HDXCMVMBGNFKKQ-SECBINFHSA-N 1 0 378.641 2.674 20 0 GFADRO C[S@@](=O)C1(C(=O)Nc2ncc(Cc3cccc(Cl)c3)s2)CC[NH2+]CC1 ZINC000602440906 565848585 /nfs/dbraw/zinc/84/85/85/565848585.db2.gz MRCMYNMQJQLCIG-RUZDIDTESA-N 1 0 397.953 2.827 20 0 GFADRO CCC1([NH+]2CCOCC2)CCN(C(=O)c2ccc(Br)c(O)c2)CC1 ZINC000629418003 565850841 /nfs/dbraw/zinc/85/08/41/565850841.db2.gz MENDWTRZGHEIEM-UHFFFAOYSA-N 1 0 397.313 2.872 20 0 GFADRO C[S@](=O)C1(C(=O)Nc2cc(Cl)c(Br)cc2F)CC[NH2+]CC1 ZINC000602526305 565852637 /nfs/dbraw/zinc/85/26/37/565852637.db2.gz IYJACPHNEPZVQQ-NRFANRHFSA-N 1 0 397.697 2.681 20 0 GFADRO O=C(N[C@H]1CC[NH2+]C12CCC2)c1cc(F)c(F)cc1I ZINC000602531095 565854069 /nfs/dbraw/zinc/85/40/69/565854069.db2.gz IAGFRKJIGIMWQT-LBPRGKRZSA-N 1 0 392.187 2.584 20 0 GFADRO C[C@H]1CC[C@@H](NC(=O)c2cc(Cl)ccc2I)C[NH2+]1 ZINC000602553923 565854913 /nfs/dbraw/zinc/85/49/13/565854913.db2.gz LEPUNRZLOREQEM-WCBMZHEXSA-N 1 0 378.641 2.815 20 0 GFADRO Cc1cc(Br)ccc1CNC(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000673978177 565854962 /nfs/dbraw/zinc/85/49/62/565854962.db2.gz UMHBMZVWLITNBH-MRXNPFEDSA-N 1 0 386.359 2.994 20 0 GFADRO COC(=O)c1oc(CNC(=O)[C@@](C)([NH3+])c2ccc(Br)cc2)cc1C ZINC000602599720 565856640 /nfs/dbraw/zinc/85/66/40/565856640.db2.gz YCZIYUIADYDUEN-KRWDZBQOSA-N 1 0 395.253 2.627 20 0 GFADRO C[C@H]1C[C@@H]([NH3+])CN1C(=O)c1cc(I)cc(C(F)(F)F)c1 ZINC000602597961 565856769 /nfs/dbraw/zinc/85/67/69/565856769.db2.gz WXTQUMJGJBFTCR-WRWORJQWSA-N 1 0 398.166 2.872 20 0 GFADRO Ic1ccc(C[NH2+]CCc2cn3c(n2)SCC3)s1 ZINC000602613333 565858451 /nfs/dbraw/zinc/85/84/51/565858451.db2.gz XWOBDWVKWROMMO-UHFFFAOYSA-N 1 0 391.303 2.987 20 0 GFADRO CN(Cc1ccc(Cl)s1)C(=O)CN1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629567724 565858846 /nfs/dbraw/zinc/85/88/46/565858846.db2.gz QJXUDGQZTYLONH-JQWIXIFHSA-N 1 0 383.867 2.819 20 0 GFADRO C[NH2+]CCOCCN(C)[C@H](C)C(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000629569327 565859056 /nfs/dbraw/zinc/85/90/56/565859056.db2.gz PTAVQIZAUKXHRU-LLVKDONJSA-N 1 0 381.826 2.854 20 0 GFADRO [NH3+]C[C@@H]1CCCN(CC(=O)Nc2ccccc2Br)[C@@H]1C(F)(F)F ZINC000629583421 565860526 /nfs/dbraw/zinc/86/05/26/565860526.db2.gz CAZAVTGHTYKXCT-HZMBPMFUSA-N 1 0 394.235 2.989 20 0 GFADRO CC(=O)N(c1nc(CN2CCC[C@@H](C[NH3+])[C@H]2C(F)(F)F)cs1)C1CC1 ZINC000629581593 565860548 /nfs/dbraw/zinc/86/05/48/565860548.db2.gz BRRAUXPCHKIFOC-FZMZJTMJSA-N 1 0 376.448 2.760 20 0 GFADRO C[S@](=O)Cc1ccc(C[NH2+]Cc2cnn3cc(Br)cnc23)cc1 ZINC000602653485 565861075 /nfs/dbraw/zinc/86/10/75/565861075.db2.gz IQVRHEPPVUCTHH-QHCPKHFHSA-N 1 0 393.310 2.660 20 0 GFADRO CS(=O)(=O)C1(C[NH2+]Cc2ccc(I)s2)CCCC1 ZINC000602652223 565861431 /nfs/dbraw/zinc/86/14/31/565861431.db2.gz AICAHPYCEKKFRN-UHFFFAOYSA-N 1 0 399.319 2.800 20 0 GFADRO CC(C)[N@@H+](Cc1ccc(I)s1)C[C@H]1CCC(=O)N1 ZINC000602694992 565863809 /nfs/dbraw/zinc/86/38/09/565863809.db2.gz UMLBKXUSRFWKHP-SNVBAGLBSA-N 1 0 378.279 2.842 20 0 GFADRO O=C(c1nscc1Br)N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000651494248 565865410 /nfs/dbraw/zinc/86/54/10/565865410.db2.gz YVPLVAQTGYPQBJ-LBPRGKRZSA-N 1 0 388.331 2.623 20 0 GFADRO COCCOCC[NH+]1CCN(c2ccnc3ccc(Br)cc32)CC1 ZINC000651486658 565865803 /nfs/dbraw/zinc/86/58/03/565865803.db2.gz GTYDRSIISCTENV-UHFFFAOYSA-N 1 0 394.313 2.782 20 0 GFADRO CCS[C@@H](C)c1noc(CN(C)CCC(=O)NCc2cnc(C)s2)n1 ZINC000602788577 565868004 /nfs/dbraw/zinc/86/80/04/565868004.db2.gz UCLRUSQXSGGYGR-NSHDSACASA-N 1 0 383.543 2.787 20 0 GFADRO Cc1cc(Br)sc1S(=O)(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000651520201 565868230 /nfs/dbraw/zinc/86/82/30/565868230.db2.gz RDYNVSIAGSAENR-GHMZBOCLSA-N 1 0 379.345 2.724 20 0 GFADRO C[NH+](C)CCOc1ccc(CNS(=O)(=O)Cc2ccc(Cl)cc2)cc1 ZINC000651522571 565868772 /nfs/dbraw/zinc/86/87/72/565868772.db2.gz KFWZBXYMDOXMGB-UHFFFAOYSA-N 1 0 382.913 2.900 20 0 GFADRO COC1CC[NH+](CCNC(=O)N[C@@H](C)c2ccc(Br)cc2)CC1 ZINC000674325974 565869124 /nfs/dbraw/zinc/86/91/24/565869124.db2.gz UBBCUAXEVKXNJI-ZDUSSCGKSA-N 1 0 384.318 2.920 20 0 GFADRO COC(=O)C[C@@](C)([NH2+]C[C@@H]1CCc2ncnn21)c1ccc(Br)cc1 ZINC000602825740 565869288 /nfs/dbraw/zinc/86/92/88/565869288.db2.gz DBYIZZJUSKRFKL-WMLDXEAASA-N 1 0 393.285 2.596 20 0 GFADRO CCOCCC[N@@H+]1CC[C@H](NS(=O)(=O)Cc2ccc(Cl)cc2)[C@H](C)C1 ZINC000651562349 565873087 /nfs/dbraw/zinc/87/30/87/565873087.db2.gz MGCXDZWKFYXOIC-QAPCUYQASA-N 1 0 388.961 2.896 20 0 GFADRO C[NH2+]C1(CNC(=O)c2cn(-c3ccc(Br)cc3)nc2C)CCC1 ZINC000630001774 565879196 /nfs/dbraw/zinc/87/91/96/565879196.db2.gz JLFXBPYXKCGMQL-UHFFFAOYSA-N 1 0 377.286 2.815 20 0 GFADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCOc4ccc(Br)cc43)[C@@H]2C1 ZINC000651683211 565885199 /nfs/dbraw/zinc/88/51/99/565885199.db2.gz UNZNHDMUCCBCBY-IVMMDQJWSA-N 1 0 379.298 2.868 20 0 GFADRO [NH3+]CCSCc1cn(Cc2nnc(-c3c(Cl)cccc3Cl)o2)nn1 ZINC000603217477 565889793 /nfs/dbraw/zinc/88/97/93/565889793.db2.gz ZNKGLAPMQZNHMX-UHFFFAOYSA-N 1 0 385.280 2.875 20 0 GFADRO CO[C@H]1CN(C(=O)Cc2csc(-c3ccccc3Cl)n2)[C@](C)(C[NH3+])C1 ZINC000630371323 565897071 /nfs/dbraw/zinc/89/70/71/565897071.db2.gz KQFXDCSPHKLADX-ACJLOTCBSA-N 1 0 379.913 2.971 20 0 GFADRO CN1CCC([N@@H+]2CC[C@@H](Nc3ncnc4ccc(Br)cc43)C2)CC1 ZINC000603395098 565902756 /nfs/dbraw/zinc/90/27/56/565902756.db2.gz RJXPJULEZMEOOB-CQSZACIVSA-N 1 0 390.329 2.973 20 0 GFADRO CCCN(CCC[NH+](C)C)C(=O)c1ncc(I)s1 ZINC000603429261 565904514 /nfs/dbraw/zinc/90/45/14/565904514.db2.gz GOFLEUOHHOCLNX-UHFFFAOYSA-N 1 0 381.283 2.552 20 0 GFADRO Cc1cccc(S(=O)(=O)N(C)CC[NH+]2CCCCC2)c1Br ZINC000651926436 565904907 /nfs/dbraw/zinc/90/49/07/565904907.db2.gz VJTBRIKANSFXQK-UHFFFAOYSA-N 1 0 375.332 2.864 20 0 GFADRO NC(=O)C1CCC([NH2+]Cc2nc(-c3cccc(Br)c3)c[nH]2)CC1 ZINC000603519683 565910373 /nfs/dbraw/zinc/91/03/73/565910373.db2.gz YHLIOUAWYJISGX-UHFFFAOYSA-N 1 0 377.286 2.973 20 0 GFADRO CC[NH+]1CCC(CNS(=O)(=O)Cc2ccc(Br)cc2)CC1 ZINC000675754874 565913675 /nfs/dbraw/zinc/91/36/75/565913675.db2.gz DLAROHMXGHCLHO-UHFFFAOYSA-N 1 0 375.332 2.600 20 0 GFADRO CCO[C@@H]1CN(C(=O)N[C@@H](C)c2ccc(Br)cc2F)C[C@H]1C[NH3+] ZINC000652191699 565918580 /nfs/dbraw/zinc/91/85/80/565918580.db2.gz BQJPKBQOPZLNKY-FIXISWKDSA-N 1 0 388.281 2.654 20 0 GFADRO CS(=O)(=O)N1CCC([NH2+]C2(c3ccccc3Br)CCC2)CC1 ZINC000652218735 565919243 /nfs/dbraw/zinc/91/92/43/565919243.db2.gz YWKFQNQORXIQSJ-UHFFFAOYSA-N 1 0 387.343 2.842 20 0 GFADRO Cc1c([C@@H](C)[NH2+]CC[C@@]2(O)CCOC2)nnn1-c1cccc(Br)c1 ZINC000652264401 565920991 /nfs/dbraw/zinc/92/09/91/565920991.db2.gz JGYPGHOQEOOKAY-SJKOYZFVSA-N 1 0 395.301 2.530 20 0 GFADRO O=C(c1cc(Br)c2nccn2c1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000630859857 565923842 /nfs/dbraw/zinc/92/38/42/565923842.db2.gz IKGHXZRFMKDTFW-CQSZACIVSA-N 1 0 377.286 2.797 20 0 GFADRO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCN(S(=O)(=O)c3ccc(Cl)cc3Cl)C2)C1 ZINC000652374671 565925771 /nfs/dbraw/zinc/92/57/71/565925771.db2.gz XYUUWKGWDJBTRE-NJZAAPMLSA-N 1 0 393.336 2.900 20 0 GFADRO [NH3+]C[C@]12CCC[C@H]1CN(S(=O)(=O)c1cc(Br)ccc1Cl)C2 ZINC000652376309 565925853 /nfs/dbraw/zinc/92/58/53/565925853.db2.gz DDYNBULYXSPZNT-HZMBPMFUSA-N 1 0 393.734 2.852 20 0 GFADRO CC(C)Oc1cc(C(=O)NC[C@H]2CCC[N@@H+]2CCCO)ccc1Br ZINC000652379854 565926394 /nfs/dbraw/zinc/92/63/94/565926394.db2.gz QHJYUXBSIIKPMR-OAHLLOKOSA-N 1 0 399.329 2.813 20 0 GFADRO Cc1cc(Br)c(S(=O)(=O)N2CCC[C@@H](C)[C@H]2CC[NH3+])s1 ZINC000652377899 565926497 /nfs/dbraw/zinc/92/64/97/565926497.db2.gz SATJCLOYDCRPLW-BXKDBHETSA-N 1 0 381.361 2.957 20 0 GFADRO C[C@H]1CCCN(S(=O)(=O)c2ccc(OCC(F)(F)F)cc2)[C@@H]1CC[NH3+] ZINC000652378321 565926675 /nfs/dbraw/zinc/92/66/75/565926675.db2.gz GEGBNBFQGMAHGB-SWLSCSKDSA-N 1 0 380.432 2.766 20 0 GFADRO CN(CC1CC[NH+](C)CC1)C(=O)c1ccc2cncc(Br)c2n1 ZINC000630926434 565926716 /nfs/dbraw/zinc/92/67/16/565926716.db2.gz XIUCYAMEYSZFBP-UHFFFAOYSA-N 1 0 377.286 2.806 20 0 GFADRO Cc1cc(S(=O)(=O)NCCC2CC[NH2+]CC2)c(F)cc1Br ZINC000652384748 565927646 /nfs/dbraw/zinc/92/76/46/565927646.db2.gz MCWDGWKVYHUEKL-UHFFFAOYSA-N 1 0 379.295 2.565 20 0 GFADRO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCN(C(=O)Nc3cc(Br)ccn3)C2)C1 ZINC000652599508 565934415 /nfs/dbraw/zinc/93/44/15/565934415.db2.gz FZHNWMPMCHOQEA-IACUBPJLSA-N 1 0 383.290 2.594 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(C(=O)Nc3cncc(Br)c3)C2)C1 ZINC000652586994 565934599 /nfs/dbraw/zinc/93/45/99/565934599.db2.gz SDQHIGJIZZGRRU-LNSITVRQSA-N 1 0 383.290 2.594 20 0 GFADRO Cc1nc(NC(=O)N2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)ccc1Br ZINC000652594926 565935120 /nfs/dbraw/zinc/93/51/20/565935120.db2.gz KPMFYKYYFDZWTC-KCQAQPDRSA-N 1 0 397.317 2.903 20 0 GFADRO Cc1ccc([C@H](C[NH2+]Cc2ccncc2Br)N2CCOCC2)o1 ZINC000631036956 565935628 /nfs/dbraw/zinc/93/56/28/565935628.db2.gz KGTGPKPUZFANGJ-INIZCTEOSA-N 1 0 380.286 2.909 20 0 GFADRO COc1ccc(OCCC[NH2+]Cc2ccc(Cl)c(S(N)(=O)=O)c2)cc1 ZINC000631051862 565936497 /nfs/dbraw/zinc/93/64/97/565936497.db2.gz XRSDDTSRAOMNPI-UHFFFAOYSA-N 1 0 384.885 2.555 20 0 GFADRO NS(=O)(=O)c1cc(C[NH2+][C@@H](c2ccccc2)[C@H]2CCCO2)ccc1Cl ZINC000631055300 565936894 /nfs/dbraw/zinc/93/68/94/565936894.db2.gz OFNSDWQOJDMRDB-AEFFLSMTSA-N 1 0 380.897 2.997 20 0 GFADRO C[C@@H](C[NH2+]Cc1ccc(Cl)c(S(N)(=O)=O)c1)COCc1ccccc1 ZINC000631050204 565937208 /nfs/dbraw/zinc/93/72/08/565937208.db2.gz VONXQPUVXLFSRX-AWEZNQCLSA-N 1 0 382.913 2.930 20 0 GFADRO COc1cc(Cl)ccc1S(=O)(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000676497588 565941546 /nfs/dbraw/zinc/94/15/46/565941546.db2.gz DKCKWPCNBUPBSQ-CJNGLKHVSA-N 1 0 384.929 2.986 20 0 GFADRO NS(=O)(=O)c1cc(C[NH2+][C@H](CCO)c2ccc(Cl)cc2)ccc1Cl ZINC000631137184 565944347 /nfs/dbraw/zinc/94/43/47/565944347.db2.gz WOPOPFARWDTDKZ-OAHLLOKOSA-N 1 0 389.304 2.854 20 0 GFADRO CN1CCN(C(=O)c2cc[nH]c(=O)c2Br)[C@H](Cc2ccccc2)C1 ZINC000652881785 565944771 /nfs/dbraw/zinc/94/47/71/565944771.db2.gz DQXVGFJRUWIKJC-CQSZACIVSA-N 1 0 390.281 2.549 20 0 GFADRO CC(C)n1ncnc1C[NH2+]C[C@@H](CO)Cc1cc(Br)ccc1F ZINC000631153403 565945588 /nfs/dbraw/zinc/94/55/88/565945588.db2.gz VAGJLDLTHSXVES-LBPRGKRZSA-N 1 0 385.281 2.701 20 0 GFADRO Cc1ncc([C@@H](C)[NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)s1 ZINC000631226061 565949673 /nfs/dbraw/zinc/94/96/73/565949673.db2.gz FEPXPCLTMWHGGC-MRVPVSSYSA-N 1 0 390.328 2.712 20 0 GFADRO O=S(=O)(N[C@@H]1CCCC[C@H]1[NH2+]Cc1cnc(-c2ccco2)s1)C1CC1 ZINC000631255698 565951174 /nfs/dbraw/zinc/95/11/74/565951174.db2.gz ZELSNKJDFDFWSM-HUUCEWRRSA-N 1 0 381.523 2.886 20 0 GFADRO O=C([C@@H]1CCC[N@@H+](Cc2cn3cc(Br)ccc3n2)C1)N1CCCC1 ZINC000605419797 565951397 /nfs/dbraw/zinc/95/13/97/565951397.db2.gz MHCWPDLWEHHUDQ-CQSZACIVSA-N 1 0 391.313 2.931 20 0 GFADRO CC(C)(CO)[NH+]1CCN(CC(=O)Nc2cc(Cl)c(Cl)cc2Cl)CC1 ZINC000605420893 565951604 /nfs/dbraw/zinc/95/16/04/565951604.db2.gz HBWWHAGAIQGWJJ-UHFFFAOYSA-N 1 0 394.730 2.974 20 0 GFADRO C[C@@H](CNC(=O)c1oc2ccccc2c1Br)C[NH+]1CCN(C)CC1 ZINC000631277473 565952590 /nfs/dbraw/zinc/95/25/90/565952590.db2.gz XLMYUALRBFNYQX-ZDUSSCGKSA-N 1 0 394.313 2.809 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)[C@H]1CCC[NH2+]CC1 ZINC000653083262 565954530 /nfs/dbraw/zinc/95/45/30/565954530.db2.gz SYTXYYNEINJQIK-ZDUSSCGKSA-N 1 0 382.302 2.592 20 0 GFADRO C[NH+](C)CC[C@@H](N)C(=O)N1CCC(COc2cc(Cl)cc(Cl)c2)CC1 ZINC000653095193 565955315 /nfs/dbraw/zinc/95/53/15/565955315.db2.gz CVPRGSDUJGPKDR-QGZVFWFLSA-N 1 0 388.339 2.890 20 0 GFADRO O=C(CNC(=O)C[N@@H+]1CCC[C@@H](C2CC2)C1)Nc1ccccc1Br ZINC000677029603 565958350 /nfs/dbraw/zinc/95/83/50/565958350.db2.gz PWFFXHVISORHPV-CQSZACIVSA-N 1 0 394.313 2.626 20 0 GFADRO C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000653196518 565958585 /nfs/dbraw/zinc/95/85/85/565958585.db2.gz PXZMMCYSAVVGOO-PZROIBLQSA-N 1 0 384.307 2.699 20 0 GFADRO C[C@H]1CCCN(C(=O)c2cc(Br)c3c(c2)OCCO3)[C@@H]1CC[NH3+] ZINC000653238502 565959645 /nfs/dbraw/zinc/95/96/45/565959645.db2.gz QTIXOTQBBCIQRB-SMDDNHRTSA-N 1 0 383.286 2.810 20 0 GFADRO C[C@@H]1CCCN(C(=O)CCNC(=O)c2ccc(Br)cc2)[C@@H]1CC[NH3+] ZINC000653233513 565959668 /nfs/dbraw/zinc/95/96/68/565959668.db2.gz XMAPOEZDCGNHLX-CZUORRHYSA-N 1 0 396.329 2.545 20 0 GFADRO [NH3+]CC1(CCNC(=O)[C@@H]2CCCN2C(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000653217694 565959702 /nfs/dbraw/zinc/95/97/02/565959702.db2.gz BOHGGDNMRQKFSK-HNNXBMFYSA-N 1 0 384.307 2.843 20 0 GFADRO CN1CC[NH+](CCCCNC(=O)c2ccc(Cl)c(Br)c2)CC1 ZINC000677050518 565959732 /nfs/dbraw/zinc/95/97/32/565959732.db2.gz VLPDYYQYUALNLT-UHFFFAOYSA-N 1 0 388.737 2.860 20 0 GFADRO [NH3+]CC1(CCNC(=O)[C@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000653218575 565959812 /nfs/dbraw/zinc/95/98/12/565959812.db2.gz AKPMRBVDMSZKCR-OAHLLOKOSA-N 1 0 384.307 2.843 20 0 GFADRO CCO[C@@H]1CN(C(=O)c2ccc(Br)c(OC(C)C)c2)C[C@H]1C[NH3+] ZINC000653248940 565960499 /nfs/dbraw/zinc/96/04/99/565960499.db2.gz JPFYWSISGOVIDT-CZUORRHYSA-N 1 0 385.302 2.672 20 0 GFADRO CCn1cc(Br)cc1C(=O)N1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000653262292 565960605 /nfs/dbraw/zinc/96/06/05/565960605.db2.gz BZAPFRAZXYJNRT-SQWLQELKSA-N 1 0 384.318 2.772 20 0 GFADRO C[C@@H]1C[C@H]([NH2+][C@H]2CCc3c2cccc3Br)C(=O)N1c1cnn(C)c1 ZINC000677139171 565961435 /nfs/dbraw/zinc/96/14/35/565961435.db2.gz ROARBNSRKMCTFL-NVGVWMPQSA-N 1 0 389.297 2.954 20 0 GFADRO O=C(NCCC1CC[NH2+]CC1)[C@H]1CCN(c2cc(Cl)ccc2Cl)C1=O ZINC000653270131 565961535 /nfs/dbraw/zinc/96/15/35/565961535.db2.gz FXVBWFCLAHQVTD-CQSZACIVSA-N 1 0 384.307 2.852 20 0 GFADRO O=C(COc1ccc(Br)cn1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000631521999 565961715 /nfs/dbraw/zinc/96/17/15/565961715.db2.gz YLSBHJQKWKPSNT-CQSZACIVSA-N 1 0 382.302 2.557 20 0 GFADRO O=C(CCN1CC[NH+](C[C@H]2CCCO2)CC1)Nc1ccccc1Br ZINC000606430689 565963728 /nfs/dbraw/zinc/96/37/28/565963728.db2.gz MWLACPBQASROCR-OAHLLOKOSA-N 1 0 396.329 2.574 20 0 GFADRO Brc1ccc2c(c1)C[C@@H]1[C@H]2[C@H]1[NH2+]C1CCN([C@H]2CCOC2)CC1 ZINC000631701028 565968800 /nfs/dbraw/zinc/96/88/00/565968800.db2.gz GLYYOESCHAAHAD-NQYYFHDYSA-N 1 0 377.326 2.930 20 0 GFADRO C[C@@H](CNS(=O)(=O)C[C@H]1CCC(F)(F)C1)N1CCc2sccc2C1 ZINC000631726673 565970332 /nfs/dbraw/zinc/97/03/32/565970332.db2.gz GBXYZWFQGKLZGU-STQMWFEESA-N 1 0 378.510 2.850 20 0 GFADRO C[C@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH2+][C@@H]1COCC[C@H]1O ZINC000631748617 565971119 /nfs/dbraw/zinc/97/11/19/565971119.db2.gz BOKDSICILLIBIR-OWYVNGRQSA-N 1 0 380.794 2.815 20 0 GFADRO COCCN(C)C[C@H](O)C[NH2+][C@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000653622876 565975225 /nfs/dbraw/zinc/97/52/25/565975225.db2.gz ZFQIHHCQDJJFIY-SJORKVTESA-N 1 0 389.309 2.568 20 0 GFADRO C[C@H](NC(=O)CN1CCC[C@@H]2C[NH2+]CC[C@@H]21)c1ccc(Br)cc1 ZINC000631885924 565981159 /nfs/dbraw/zinc/98/11/59/565981159.db2.gz FEDLCQYCTDUYSC-LXZKKBNFSA-N 1 0 380.330 2.700 20 0 GFADRO [NH3+]C1CCN(S(=O)(=O)c2csnc2-c2cccc(C(F)(F)F)c2)CC1 ZINC000631900333 565982323 /nfs/dbraw/zinc/98/23/23/565982323.db2.gz OOXADIQDGJCZNA-UHFFFAOYSA-N 1 0 391.440 2.941 20 0 GFADRO C[NH2+]C[C@@H]1CCN(S(=O)(=O)c2cc(Br)c(Cl)cc2C)C1 ZINC000631904464 565982405 /nfs/dbraw/zinc/98/24/05/565982405.db2.gz OLOQRLKUOKPOPH-JTQLQIEISA-N 1 0 381.723 2.641 20 0 GFADRO O=S(=O)(c1cscc1Br)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000631949225 565985630 /nfs/dbraw/zinc/98/56/30/565985630.db2.gz CKCJHNPLAMOPMJ-LBPRGKRZSA-N 1 0 393.372 2.911 20 0 GFADRO Cc1cc(Cl)c(Br)cc1S(=O)(=O)N1CC[C@@H]([NH3+])C[C@@H]1C ZINC000631949077 565985654 /nfs/dbraw/zinc/98/56/54/565985654.db2.gz XFQBRXBACRFOAX-VHSXEESVSA-N 1 0 381.723 2.911 20 0 GFADRO O=S(=O)(Cc1ccc(Br)cc1)NCc1cccc2c1CC[NH2+]C2 ZINC000631963307 565986731 /nfs/dbraw/zinc/98/67/31/565986731.db2.gz YRCUDHFXVFISIS-UHFFFAOYSA-N 1 0 395.322 2.714 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)Cc2csc(NC(=O)c3cccs3)n2)CC[N@@H+]1C ZINC000607688306 565987637 /nfs/dbraw/zinc/98/76/37/565987637.db2.gz YQBZWJORJRXMFS-VXGBXAGGSA-N 1 0 378.523 2.598 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)Cc2ncsc2Br)C[C@@H]1C ZINC000632018714 565991776 /nfs/dbraw/zinc/99/17/76/565991776.db2.gz HWRBRKXRPVLXFX-WDEREUQCSA-N 1 0 396.376 2.540 20 0 GFADRO O=C(Nc1ccc(Br)c2ccccc12)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000654027851 565992292 /nfs/dbraw/zinc/99/22/92/565992292.db2.gz PAXXENYXUNMRIG-QWHCGFSZSA-N 1 0 390.281 2.885 20 0 GFADRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)C2(c3ccc(Br)cc3)CCOCC2)C1 ZINC000654066990 565994718 /nfs/dbraw/zinc/99/47/18/565994718.db2.gz OVFKSIUVRVWZCT-KDYLLFBJSA-N 1 0 395.341 2.954 20 0 GFADRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)CSc2nnc(-c3ccc(Cl)cc3)o2)C1 ZINC000654071125 565994832 /nfs/dbraw/zinc/99/48/32/565994832.db2.gz LCUVRUWPIYEUCU-VDISTLRHSA-N 1 0 380.901 2.939 20 0 GFADRO CCCC[N@H+](CC)Cc1cccc(CNS(=O)(=O)c2c[nH]c(=O)s2)c1 ZINC000632087874 565997816 /nfs/dbraw/zinc/99/78/16/565997816.db2.gz JPGBWLDODFGMKC-UHFFFAOYSA-N 1 0 383.539 2.949 20 0 GFADRO O=C(Nc1nc2cc(Br)ccn2n1)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000654107335 565998520 /nfs/dbraw/zinc/99/85/20/565998520.db2.gz ZJQMQMLDMBHQFF-OLZOCXBDSA-N 1 0 393.289 2.630 20 0 GFADRO CC[C@@H](C)[NH+]1CCN(C(=O)c2cnc3ncc(Br)cc3c2)CC1 ZINC000654137595 565999537 /nfs/dbraw/zinc/99/95/37/565999537.db2.gz OQOYWGYTXNSVAC-GFCCVEGCSA-N 1 0 377.286 2.949 20 0 GFADRO O=C1C[C@@H]([NH2+]Cc2ccc(Br)cn2)CN1CCOc1ccccc1 ZINC000608059208 566000899 /nfs/dbraw/zinc/00/08/99/566000899.db2.gz BZJADNLFONPGEL-MRXNPFEDSA-N 1 0 390.281 2.614 20 0 GFADRO CC(=O)NC[C@H]1CN(c2c(C)c(C)[nH+]c3ccc(Br)cc32)CCO1 ZINC000608086456 566003440 /nfs/dbraw/zinc/00/34/40/566003440.db2.gz HXHIDBJAGGLHMJ-HNNXBMFYSA-N 1 0 392.297 2.955 20 0 GFADRO CO[C@H](C(=O)NCCC[NH+]1C[C@H](C)O[C@@H](C)C1)c1ccccc1Br ZINC000654426619 566009717 /nfs/dbraw/zinc/00/97/17/566009717.db2.gz PSWNOAIWOWEITG-ZQIUZPCESA-N 1 0 399.329 2.752 20 0 GFADRO Cn1ccc(N2CCC[C@@H]([NH2+][C@H]3CCc4cc(Br)ccc43)C2=O)n1 ZINC000608372774 566012544 /nfs/dbraw/zinc/01/25/44/566012544.db2.gz UEKPNHQLJNKKKO-JKSUJKDBSA-N 1 0 389.297 2.955 20 0 GFADRO CC[C@H]([NH2+]CCCN1CCCS1(=O)=O)c1cccc(Br)c1 ZINC000678583603 566013856 /nfs/dbraw/zinc/01/38/56/566013856.db2.gz WYCIMTKQCNMXSO-HNNXBMFYSA-N 1 0 375.332 2.915 20 0 GFADRO C[NH+]1CCC(CCO)(NC(=O)[C@@H]2C[C@@]2(C)c2cccc(Br)c2)CC1 ZINC000632322742 566021674 /nfs/dbraw/zinc/02/16/74/566021674.db2.gz WQFQWVBZTUKUAA-WMZOPIPTSA-N 1 0 395.341 2.690 20 0 GFADRO C[C@H]([NH2+]C[C@@H]1CCC[C@@]12NC(=O)N(C)C2=O)c1sccc1Br ZINC000679066083 566029620 /nfs/dbraw/zinc/02/96/20/566029620.db2.gz PEECGXREENRTPN-AMJWSMQMSA-N 1 0 386.315 2.882 20 0 GFADRO CNC(=O)[C@H](CC(C)C)[NH2+][C@H](C)CC(=O)Nc1cccc(Br)c1 ZINC000679086745 566030523 /nfs/dbraw/zinc/03/05/23/566030523.db2.gz ODNTYXACPNBSEI-DOMZBBRYSA-N 1 0 384.318 2.917 20 0 GFADRO Cc1cc(Br)cc(NC(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)c1 ZINC000654948939 566031033 /nfs/dbraw/zinc/03/10/33/566031033.db2.gz JNKJRMNEXDBMDW-HZPDHXFCSA-N 1 0 394.313 2.829 20 0 GFADRO Cc1cc(NC(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)ccc1Br ZINC000654946595 566031557 /nfs/dbraw/zinc/03/15/57/566031557.db2.gz MTRGNTCGWLITLZ-CVEARBPZSA-N 1 0 394.313 2.829 20 0 GFADRO CN(Cc1ncc[nH]1)C(=O)C(=O)N(Cc1ccc(Cl)c(Cl)c1)C1CC1 ZINC000632439868 566033103 /nfs/dbraw/zinc/03/31/03/566033103.db2.gz LAVFKRPHRKSMBK-UHFFFAOYSA-N 1 0 381.263 2.866 20 0 GFADRO Cc1cc(Br)c(C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)s1 ZINC000654969030 566033219 /nfs/dbraw/zinc/03/32/19/566033219.db2.gz GRIQEOHAYFZREI-LBPRGKRZSA-N 1 0 386.359 2.717 20 0 GFADRO CC(C)[NH2+][C@H]1CCCN(C(=O)c2csc(I)c2)C1 ZINC000609354557 566037193 /nfs/dbraw/zinc/03/71/93/566037193.db2.gz XBGCILPBMWRNAD-NSHDSACASA-N 1 0 378.279 2.955 20 0 GFADRO O=C(C[NH2+][C@@H](c1ccc(Br)cc1)[C@@H]1CCCO1)NCC(F)(F)F ZINC000679334806 566037792 /nfs/dbraw/zinc/03/77/92/566037792.db2.gz BHVCZKUZQIFBKI-JSGCOSHPSA-N 1 0 395.219 2.937 20 0 GFADRO C[N@@H+]1CCN(C(=O)c2cc(=O)[nH]c3ccc(Br)cc32)CC1(C)C ZINC000655051623 566038217 /nfs/dbraw/zinc/03/82/17/566038217.db2.gz YYGOLDLPIMJRTP-UHFFFAOYSA-N 1 0 378.270 2.869 20 0 GFADRO O=C(C[NH2+][C@H](c1ccc(Br)cc1)[C@@H]1CCCO1)NCC(F)(F)F ZINC000679334803 566038508 /nfs/dbraw/zinc/03/85/08/566038508.db2.gz BHVCZKUZQIFBKI-GXTWGEPZSA-N 1 0 395.219 2.937 20 0 GFADRO CSc1cc(Br)ccc1C(=O)N[C@@H](CO)C[NH+]1CCCCC1 ZINC000655069912 566038952 /nfs/dbraw/zinc/03/89/52/566038952.db2.gz GHYSWRQJCUNNRT-CYBMUJFWSA-N 1 0 387.343 2.748 20 0 GFADRO CN(C(=O)c1ccc(F)cc1I)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000609509089 566041787 /nfs/dbraw/zinc/04/17/87/566041787.db2.gz GDTCYMWAIHAGEX-LBPRGKRZSA-N 1 0 388.224 2.739 20 0 GFADRO COc1cc(Br)ccc1C[NH2+][C@H]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000679749833 566051508 /nfs/dbraw/zinc/05/15/08/566051508.db2.gz LBSJAQKATYNNGZ-UONOGXRCSA-N 1 0 376.316 2.903 20 0 GFADRO C[NH+](C)Cc1ccc(C(=O)N2CCOc3cccc(Br)c3C2)cn1 ZINC000655318615 566051802 /nfs/dbraw/zinc/05/18/02/566051802.db2.gz HDSRGMXIVSNLKE-UHFFFAOYSA-N 1 0 390.281 2.941 20 0 GFADRO C[C@H](NC(=O)[C@@H]1C[C@]12CCC[NH2+]C2)c1cc2c(cc1Br)OCCO2 ZINC000655429161 566056588 /nfs/dbraw/zinc/05/65/88/566056588.db2.gz SFABBLXMDZZPQP-FNFWKMNBSA-N 1 0 395.297 2.787 20 0 GFADRO C[NH+](C)CCOc1ccc(NC(=O)CCn2cc(Br)cn2)cc1F ZINC000655434699 566057726 /nfs/dbraw/zinc/05/77/26/566057726.db2.gz JMZLXYXRXCAHKL-UHFFFAOYSA-N 1 0 399.264 2.754 20 0 GFADRO Cc1csc(-c2ccc(S(=O)(=O)NC[C@H]3CC[N@@H+](C4CC4)C3)cc2)n1 ZINC000655473577 566058141 /nfs/dbraw/zinc/05/81/41/566058141.db2.gz KNZNDAQVLAEIPS-CQSZACIVSA-N 1 0 377.535 2.881 20 0 GFADRO Cc1c(Br)cccc1CS(=O)(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000655479947 566059883 /nfs/dbraw/zinc/05/98/83/566059883.db2.gz JVMBUYYLVDUUMY-ZDUSSCGKSA-N 1 0 389.359 2.909 20 0 GFADRO O=C1CNC(=O)N1CC[NH2+][C@@H](CC(F)(F)F)c1ccc(Br)cc1 ZINC000680433823 566071019 /nfs/dbraw/zinc/07/10/19/566071019.db2.gz ZRHQQPXAGBLKNY-NSHDSACASA-N 1 0 394.191 2.584 20 0 GFADRO COc1ccc(CCC(=O)N2CCC[C@@H]3C[NH2+]CC[C@@H]32)cc1Br ZINC000632860182 566071291 /nfs/dbraw/zinc/07/12/91/566071291.db2.gz JOUNEXWHGFPAIG-ZBFHGGJFSA-N 1 0 381.314 2.991 20 0 GFADRO CN(C)c1ncc(Br)cc1C(=O)N1C[C@H](C[NH3+])Cc2ccccc21 ZINC000632870032 566072359 /nfs/dbraw/zinc/07/23/59/566072359.db2.gz XZSYKEBJMOZPEM-LBPRGKRZSA-N 1 0 389.297 2.688 20 0 GFADRO CCC(C)(C)[NH+]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C)CC1 ZINC000655613227 566073083 /nfs/dbraw/zinc/07/30/83/566073083.db2.gz ZPLPNCRCAMADLO-UHFFFAOYSA-N 1 0 381.322 2.883 20 0 GFADRO C[C@@H]1C[C@H]([NH3+])CN1C(=O)Nc1ccc(CCn2cc(Br)cn2)cc1 ZINC000632915268 566074619 /nfs/dbraw/zinc/07/46/19/566074619.db2.gz IBLQOUXQPZASFF-DOMZBBRYSA-N 1 0 392.301 2.842 20 0 GFADRO O=S(=O)(Cc1ccccc1Br)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000655668279 566080554 /nfs/dbraw/zinc/08/05/54/566080554.db2.gz OZKKOBJDZGMDEU-HOTGVXAUSA-N 1 0 387.343 2.885 20 0 GFADRO [NH3+]C[C@H]1CC[C@H](NC(=O)C(=O)Nc2cc(Cl)ccc2Br)CC1 ZINC000633037070 566080553 /nfs/dbraw/zinc/08/05/53/566080553.db2.gz ULTWXRBBMPUMSO-HOMQSWHASA-N 1 0 388.693 2.675 20 0 GFADRO CCn1cnnc1CC[NH2+]Cc1cn(-c2ccccc2Br)nc1C ZINC000655738642 566085916 /nfs/dbraw/zinc/08/59/16/566085916.db2.gz NYPHVVUSCQVRTG-UHFFFAOYSA-N 1 0 389.301 2.887 20 0 GFADRO OC[C@H]([NH2+]C1CCN(C[C@@H]2CCCO2)CC1)c1ccc(Br)cc1 ZINC000655737159 566086087 /nfs/dbraw/zinc/08/60/87/566086087.db2.gz WGGACXAGOGIQAM-ROUUACIJSA-N 1 0 383.330 2.716 20 0 GFADRO Cc1cc(C)c(Br)c(C(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c1 ZINC000680868639 566086521 /nfs/dbraw/zinc/08/65/21/566086521.db2.gz FRRYNASWYLYHPM-CVEARBPZSA-N 1 0 381.314 2.737 20 0 GFADRO CCN(C)C(=O)[C@@H](C)[NH2+]Cc1cn(-c2cccc(Br)c2)nc1C ZINC000655766375 566087177 /nfs/dbraw/zinc/08/71/77/566087177.db2.gz PTZYSDODBAGHCU-CYBMUJFWSA-N 1 0 379.302 2.900 20 0 GFADRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1cn(-c2ccccc2Br)nc1C ZINC000655753821 566087255 /nfs/dbraw/zinc/08/72/55/566087255.db2.gz GHDHMGOODMYNSD-ZBFHGGJFSA-N 1 0 391.313 2.948 20 0 GFADRO Brc1cnn(CCCC[NH2+]C2CCN(C[C@@H]3CCCO3)CC2)c1 ZINC000655764827 566087545 /nfs/dbraw/zinc/08/75/45/566087545.db2.gz SKCORJKLKCDLMR-KRWDZBQOSA-N 1 0 385.350 2.659 20 0 GFADRO Cc1nn(-c2ccccc2Br)cc1C[NH2+][C@H]1C(=O)NCC[C@@H]1C ZINC000655769821 566088209 /nfs/dbraw/zinc/08/82/09/566088209.db2.gz PJMHKAXWWGMYEU-MEDUHNTESA-N 1 0 377.286 2.557 20 0 GFADRO Cc1nn(-c2cccc(Br)c2)cc1C[NH2+]CCN1CCCC1=O ZINC000655799471 566089858 /nfs/dbraw/zinc/08/98/58/566089858.db2.gz GKTLFTUUGXCSID-UHFFFAOYSA-N 1 0 377.286 2.655 20 0 GFADRO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+][C@H]1CCc2ccccc2NC1=O ZINC000655791708 566089874 /nfs/dbraw/zinc/08/98/74/566089874.db2.gz PMFIVUCLGYXSSY-LRDDRELGSA-N 1 0 390.281 2.542 20 0 GFADRO CC[C@@H]1CN(S(C)(=O)=O)CC[C@H]1[NH2+][C@H](C)c1nc(C(F)(F)F)cs1 ZINC000681053878 566092655 /nfs/dbraw/zinc/09/26/55/566092655.db2.gz DUKXIDKHYGPOLF-GMTAPVOTSA-N 1 0 385.477 2.873 20 0 GFADRO COC[C@@H](CC(C)(C)C)[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000655843459 566092873 /nfs/dbraw/zinc/09/28/73/566092873.db2.gz SFGQRYKGGIHNCN-GFCCVEGCSA-N 1 0 393.347 2.637 20 0 GFADRO C[C@@H]1Cc2ccc(Br)cc2CN1C(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000655919426 566095351 /nfs/dbraw/zinc/09/53/51/566095351.db2.gz BGKCODXCUNABNA-PRHODGIISA-N 1 0 380.208 2.795 20 0 GFADRO C[N@H+](Cc1ccccc1)[C@H]1CCN(c2cc(Br)cnc2C(N)=O)C1 ZINC000681147690 566095610 /nfs/dbraw/zinc/09/56/10/566095610.db2.gz PFHQURGZYYOJIV-HNNXBMFYSA-N 1 0 389.297 2.654 20 0 GFADRO [NH3+]C[C@@H](NC(=O)NCCc1cc(Cl)ccc1Br)C(F)(F)F ZINC000655920315 566095643 /nfs/dbraw/zinc/09/56/43/566095643.db2.gz IGDMPKGIHASITB-SNVBAGLBSA-N 1 0 388.615 2.834 20 0 GFADRO Cc1c(Br)cccc1CS(=O)(=O)N1C[C@@H]([NH3+])Cc2ccccc21 ZINC000655954487 566099323 /nfs/dbraw/zinc/09/93/23/566099323.db2.gz YAWKOUNAQAWKPG-HNNXBMFYSA-N 1 0 395.322 2.977 20 0 GFADRO O=S1(=O)CC[C@@H]([NH2+][C@H]2CC[C@@H](CO)CC2)c2cc(Br)ccc21 ZINC000681391285 566105191 /nfs/dbraw/zinc/10/51/91/566105191.db2.gz AEGSPCHVRJHVEJ-OSAQELSMSA-N 1 0 388.327 2.808 20 0 GFADRO C[C@H](C[NH2+]CCC(=O)Nc1ccc(Br)cc1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656152649 566106453 /nfs/dbraw/zinc/10/64/53/566106453.db2.gz BQCBYGGHSUNRNT-KFWWJZLASA-N 1 0 398.345 2.865 20 0 GFADRO C[N@@H+]1CCC[C@H](CNC(=O)c2cccc(F)c2I)C1 ZINC000611002629 566110083 /nfs/dbraw/zinc/11/00/83/566110083.db2.gz NKQYQPNKZKWXSH-SNVBAGLBSA-N 1 0 376.213 2.502 20 0 GFADRO COc1cc(C[NH2+][C@H](CO)CC2CC2)cc(I)c1OC ZINC000611108261 566115121 /nfs/dbraw/zinc/11/51/21/566115121.db2.gz RLBJPPWFVSRWBY-LBPRGKRZSA-N 1 0 391.249 2.559 20 0 GFADRO Cc1nn(-c2cccc(Br)c2)cc1C[NH2+]C1(CC(N)=O)CCC1 ZINC000656255033 566117128 /nfs/dbraw/zinc/11/71/28/566117128.db2.gz FDDMXSKWMYNOTE-UHFFFAOYSA-N 1 0 377.286 2.831 20 0 GFADRO Cc1nn(-c2cccc(Br)c2)cc1C[N@@H+]1CC[C@@](C)(C(N)=O)C1 ZINC000656259160 566118968 /nfs/dbraw/zinc/11/89/68/566118968.db2.gz YLCBBEUAVRVGEH-QGZVFWFLSA-N 1 0 377.286 2.641 20 0 GFADRO Cc1nn(-c2ccccc2Br)cc1C[N@@H+]1CC[C@@H](n2cncn2)C1 ZINC000656255630 566119273 /nfs/dbraw/zinc/11/92/73/566119273.db2.gz LCJJKHPGJDJNTO-OAHLLOKOSA-N 1 0 387.285 2.982 20 0 GFADRO CS[C@@H]1CN(C(=O)c2ccc(Cl)c(N3CCCC3=O)c2)C[C@H]1[NH+](C)C ZINC000611217293 566122030 /nfs/dbraw/zinc/12/20/30/566122030.db2.gz NXJRYBQDXYDEIM-HZPDHXFCSA-N 1 0 381.929 2.584 20 0 GFADRO O=C(N=c1ccn(C2CCSCC2)[nH]1)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000633863137 566127696 /nfs/dbraw/zinc/12/76/96/566127696.db2.gz POIVBOUWBABXEQ-MRXNPFEDSA-N 1 0 380.583 2.529 20 0 GFADRO Cn1ncc(Br)c1CNC(=O)c1oc2ccccc2c1C[NH+](C)C ZINC000633978206 566133874 /nfs/dbraw/zinc/13/38/74/566133874.db2.gz KYAZVLWQMQCOAT-UHFFFAOYSA-N 1 0 391.269 2.920 20 0 GFADRO CC1(C)CN(C(=O)CCCOc2cccc(Br)c2)CC[N@@H+]1CCO ZINC000682008583 566138790 /nfs/dbraw/zinc/13/87/90/566138790.db2.gz GSSVSRNLLSJCMW-UHFFFAOYSA-N 1 0 399.329 2.523 20 0 GFADRO C[C@H](NC(=O)NCC(C)(C)N1CC[NH+](C)CC1)c1ccc(Br)cc1 ZINC000611659362 566139602 /nfs/dbraw/zinc/13/96/02/566139602.db2.gz ODWBCUBWHYQVIF-AWEZNQCLSA-N 1 0 397.361 2.835 20 0 GFADRO C[NH+](C)C1(CNC(=O)[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)CCC1 ZINC000682168323 566144964 /nfs/dbraw/zinc/14/49/64/566144964.db2.gz CYNLTTOMDDSGDJ-ZDUSSCGKSA-N 1 0 384.307 2.947 20 0 GFADRO O=C(c1cc(Br)cc2[nH]c(=O)[nH]c21)N1CCC(c2c[nH]cn2)CC1 ZINC000612064235 566150642 /nfs/dbraw/zinc/15/06/42/566150642.db2.gz SWJLLZLGXQNAPD-UHFFFAOYSA-N 1 0 390.241 2.774 20 0 GFADRO Cc1ccncc1CC[NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000656704586 566156042 /nfs/dbraw/zinc/15/60/42/566156042.db2.gz BZNBFLWKXDZZDF-MRXNPFEDSA-N 1 0 383.261 2.864 20 0 GFADRO COc1cc(NC(=O)CC[NH2+]CCO[C@H]2CC2(F)F)c(OC)cc1Cl ZINC000656708755 566156272 /nfs/dbraw/zinc/15/62/72/566156272.db2.gz QYFZMUUNQKYJTC-AWEZNQCLSA-N 1 0 378.803 2.700 20 0 GFADRO O=S1(=O)CC(CC[NH2+][C@H](c2ccc(Br)cc2)[C@H]2CCCO2)C1 ZINC000682498686 566158404 /nfs/dbraw/zinc/15/84/04/566158404.db2.gz OJZCEBGTYNFZGR-HZPDHXFCSA-N 1 0 388.327 2.694 20 0 GFADRO Cc1c(Br)cncc1C(=O)N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000612334227 566158868 /nfs/dbraw/zinc/15/88/68/566158868.db2.gz KDUABBLOHFDVMX-HNNXBMFYSA-N 1 0 396.329 2.870 20 0 GFADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3nn(C(C)(C)C)cc3Br)CC[C@@H]21 ZINC000612517274 566165752 /nfs/dbraw/zinc/16/57/52/566165752.db2.gz KABBXEAHYJPMJR-OCCSQVGLSA-N 1 0 383.334 2.957 20 0 GFADRO CC[C@H]([NH2+]C[C@H](O)CC1(O)CCOCC1)c1cc(F)cc(Br)c1 ZINC000634711319 566172032 /nfs/dbraw/zinc/17/20/32/566172032.db2.gz MTUGIMUJISKPST-CVEARBPZSA-N 1 0 390.293 2.921 20 0 GFADRO O=S(=O)(Cc1cc(F)ccc1Br)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000656877713 566173070 /nfs/dbraw/zinc/17/30/70/566173070.db2.gz PYVSSRYYDWAWSU-HUUCEWRRSA-N 1 0 391.306 2.634 20 0 GFADRO CC[NH+]1CCC(CNS(=O)(=O)Cc2cc(F)ccc2Br)CC1 ZINC000656884023 566174124 /nfs/dbraw/zinc/17/41/24/566174124.db2.gz NXRUKBIEQQOSPQ-UHFFFAOYSA-N 1 0 393.322 2.740 20 0 GFADRO COc1cc(C(=O)N[C@H]2CC[NH2+]CC(C)(C)C2)cc(Br)c1OC ZINC000634763440 566174642 /nfs/dbraw/zinc/17/46/42/566174642.db2.gz WYGZHKOFYPGNHF-LBPRGKRZSA-N 1 0 385.302 2.974 20 0 GFADRO C[C@H](CNS(=O)(=O)Cc1cc(F)ccc1Br)C[NH+]1CCCC1 ZINC000656881471 566174710 /nfs/dbraw/zinc/17/47/10/566174710.db2.gz UUXUMCDOXRXCTK-GFCCVEGCSA-N 1 0 393.322 2.740 20 0 GFADRO C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)c1ccn(-c3cccc(Br)c3)n1)C2 ZINC000634747665 566175051 /nfs/dbraw/zinc/17/50/51/566175051.db2.gz UYOBBBHQTJNVPR-HDICACEKSA-N 1 0 389.297 2.706 20 0 GFADRO Cc1ccc(C(=O)N2CCC([N@H+](C)CCCO)CC2)c(C)c1Br ZINC000682927092 566176864 /nfs/dbraw/zinc/17/68/64/566176864.db2.gz UUWDSXIPMBPGQX-UHFFFAOYSA-N 1 0 383.330 2.985 20 0 GFADRO CC[N@H+](CCNC(=O)N1C[C@H](C)O[C@H](C(F)(F)F)C1)CCC(F)(F)F ZINC000683157767 566185371 /nfs/dbraw/zinc/18/53/71/566185371.db2.gz QZKJMBGOTWBTAQ-QWRGUYRKSA-N 1 0 379.345 2.622 20 0 GFADRO CC(C)(C)S(=O)(=O)N1CCC([NH2+]Cc2cc(-n3ccnc3)cs2)CC1 ZINC000683147379 566185415 /nfs/dbraw/zinc/18/54/15/566185415.db2.gz BTVHEHBOINETCT-UHFFFAOYSA-N 1 0 382.555 2.616 20 0 GFADRO C[NH+](C)CCCOC1CCN(S(=O)(=O)Cc2cc(F)ccc2Cl)CC1 ZINC000656930693 566185662 /nfs/dbraw/zinc/18/56/62/566185662.db2.gz WBWXSJUUFKFMFI-UHFFFAOYSA-N 1 0 392.924 2.742 20 0 GFADRO C[C@@H](NS(=O)(=O)Cc1cc(F)ccc1Br)C(C)(C)C[NH+](C)C ZINC000656928129 566185676 /nfs/dbraw/zinc/18/56/76/566185676.db2.gz AAFUCPBTWQMAEQ-LLVKDONJSA-N 1 0 395.338 2.984 20 0 GFADRO C[NH+]1CCC(CCO)(NC(=O)Cc2c(Cl)cccc2Br)CC1 ZINC000613300466 566192619 /nfs/dbraw/zinc/19/26/19/566192619.db2.gz JZVWOSYDHVLFQT-UHFFFAOYSA-N 1 0 389.721 2.608 20 0 GFADRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(c2ncc(I)cn2)C1 ZINC000613281191 566192825 /nfs/dbraw/zinc/19/28/25/566192825.db2.gz GCBVJOHVWQVROL-OAHLLOKOSA-N 1 0 394.260 2.792 20 0 GFADRO C[C@@H](NS(=O)(=O)c1ncccc1Br)[C@@H](c1ccccc1)[NH+](C)C ZINC000656961040 566194545 /nfs/dbraw/zinc/19/45/45/566194545.db2.gz FHMLMHWDWVZMNP-DOMZBBRYSA-N 1 0 398.326 2.814 20 0 GFADRO CC(C)[N@@H+]1CCC[C@H](NC(=O)c2cc(Br)cc3[nH]c(=O)[nH]c32)C1 ZINC000613579335 566202784 /nfs/dbraw/zinc/20/27/84/566202784.db2.gz LYJKXZAFXDVUSR-NSHDSACASA-N 1 0 381.274 2.634 20 0 GFADRO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NCc1c(Br)cnn1C ZINC000683771276 566213290 /nfs/dbraw/zinc/21/32/90/566213290.db2.gz DMHFCQIRFUYCRX-CZUORRHYSA-N 1 0 378.318 2.578 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@@H](NS(=O)(=O)Cc2ccccc2Br)C1 ZINC000657061624 566215990 /nfs/dbraw/zinc/21/59/90/566215990.db2.gz NNOYVMRHAZDSPQ-CYBMUJFWSA-N 1 0 375.332 2.741 20 0 GFADRO C[NH+](C)C[C@@]1(O)CCCN(C(=O)c2ccc(Br)cc2Cl)C1 ZINC000683912159 566218415 /nfs/dbraw/zinc/21/84/15/566218415.db2.gz JMHOQSKBNSVRKS-HNNXBMFYSA-N 1 0 375.694 2.631 20 0 GFADRO Nc1c(Cl)c(F)cc(C(=O)N2CC[NH+](CC3CCOCC3)CC2)c1Cl ZINC000635581749 566219760 /nfs/dbraw/zinc/21/97/60/566219760.db2.gz DLJIZEJNWSVGKZ-UHFFFAOYSA-N 1 0 390.286 2.899 20 0 GFADRO CN(CCC[NH+](C)C)CCNS(=O)(=O)c1sc2ccccc2c1Cl ZINC000657090334 566220644 /nfs/dbraw/zinc/22/06/44/566220644.db2.gz BXXUZOFTVFGGIQ-UHFFFAOYSA-N 1 0 389.974 2.717 20 0 GFADRO C[N@@H+]1CC[C@H](CC(=O)NC2CCN(Cc3ccc(Br)cc3)CC2)C1 ZINC000635693143 566222678 /nfs/dbraw/zinc/22/26/78/566222678.db2.gz YASSOZGHWCUCJW-MRXNPFEDSA-N 1 0 394.357 2.872 20 0 GFADRO CC(C)[NH+]1CCC(O)(CNC(=O)c2cc(F)c(Cl)c(N)c2Cl)CC1 ZINC000635687123 566223366 /nfs/dbraw/zinc/22/33/66/566223366.db2.gz OLOJONVRKSBGQX-UHFFFAOYSA-N 1 0 378.275 2.680 20 0 GFADRO C[N@@H+]1CCC[C@@H](NC(=O)N[C@@H](CO)c2ccc(Cl)cc2C(F)(F)F)C1 ZINC000684367306 566234636 /nfs/dbraw/zinc/23/46/36/566234636.db2.gz AEOBWBAVMPJBDU-RISCZKNCSA-N 1 0 379.810 2.786 20 0 GFADRO C[N@H+](CCCCc1cccc(C(F)(F)F)c1)CCN1CCCS1(=O)=O ZINC000684362922 566234902 /nfs/dbraw/zinc/23/49/02/566234902.db2.gz YDMQYNKJKWIJNO-UHFFFAOYSA-N 1 0 378.460 2.995 20 0 GFADRO CCCS(=O)(=O)N1CCC([NH2+][C@H](C)c2ccc(Br)cn2)CC1 ZINC000684549885 566238130 /nfs/dbraw/zinc/23/81/30/566238130.db2.gz AMWAIHQQLOLIPB-GFCCVEGCSA-N 1 0 390.347 2.699 20 0 GFADRO COc1cccc(S(=O)(=O)NCC2([NH+]3CCSCC3)CCCCC2)c1 ZINC000684575603 566238649 /nfs/dbraw/zinc/23/86/49/566238649.db2.gz XPAQWKFHQSCMLK-UHFFFAOYSA-N 1 0 384.567 2.725 20 0 GFADRO OC[C@H](C[NH2+][C@H](c1ccc(Br)cc1)[C@@H]1CCCO1)[C@H]1CCOC1 ZINC000684611259 566239975 /nfs/dbraw/zinc/23/99/75/566239975.db2.gz AAJRSXNZNBPDFN-UOVPBQLFSA-N 1 0 384.314 2.904 20 0 GFADRO CCOc1cc(C[NH2+][C@@H]2CCC(=O)N[C@H]2c2cnn(C)c2)cc(Cl)c1OC ZINC000275700486 570698449 /nfs/dbraw/zinc/69/84/49/570698449.db2.gz XOJNRDGSGXRMFK-QAPCUYQASA-N 1 0 392.887 2.590 20 0 GFADRO CN(C(=O)c1ccc(-c2nn[nH]n2)cc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000736750191 598823187 /nfs/dbraw/zinc/82/31/87/598823187.db2.gz WBAWBQQZDSFTSS-UHFFFAOYSA-N 1 0 376.464 2.603 20 0 GFADRO C[C@@H]([NH2+]Cc1cccc(-c2nn[nH]n2)c1)c1cc(F)ccc1N1CCC(O)CC1 ZINC000736133526 598837455 /nfs/dbraw/zinc/83/74/55/598837455.db2.gz HNPKNBHWQHOGGY-CQSZACIVSA-N 1 0 396.470 2.818 20 0 GFADRO COC(=O)[C@H](c1ccc(-c2nn[nH]n2)cc1)[N@@H+]1C[C@H](c2ccccc2)C[C@H]1C ZINC000736901941 598864274 /nfs/dbraw/zinc/86/42/74/598864274.db2.gz POZHZGNLRFRRGL-ZMYBRWDISA-N 1 0 377.448 2.959 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)CCc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000736266790 598867919 /nfs/dbraw/zinc/86/79/19/598867919.db2.gz KAIDICDJSYACJM-MJGOQNOKSA-N 1 0 396.539 2.912 20 0 GFADRO CCC[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)C[C@@H](O)COCc1ccccc1 ZINC000736481626 598919020 /nfs/dbraw/zinc/91/90/20/598919020.db2.gz RPSCZEDNSDESRQ-HXUWFJFHSA-N 1 0 381.480 2.656 20 0 GFADRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000736287872 598943631 /nfs/dbraw/zinc/94/36/31/598943631.db2.gz HETOZPOWRHHOBQ-MRXNPFEDSA-N 1 0 376.464 2.603 20 0 GFADRO c1ccc(C[N@H+]2CCC[C@@H]2CNc2nc3c(cc2-c2nn[nH]n2)CCC3)cc1 ZINC000738433890 598944564 /nfs/dbraw/zinc/94/45/64/598944564.db2.gz XXOURCJZHPVYLB-QGZVFWFLSA-N 1 0 375.480 2.827 20 0 GFADRO CCOc1ccc([C@@H](C)[NH2+][C@H]2CCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)cc1 ZINC000736638100 598959714 /nfs/dbraw/zinc/95/97/14/598959714.db2.gz TZHILMSKCRXBHZ-KUHUBIRLSA-N 1 0 392.463 2.722 20 0 GFADRO C[C@@H]([NH2+]C1(CNC(=O)c2ccc(-c3nn[nH]n3)nc2)CCCC1)c1ccccc1 ZINC000736129717 599032475 /nfs/dbraw/zinc/03/24/75/599032475.db2.gz FIVUPFOERJSUNJ-OAHLLOKOSA-N 1 0 391.479 2.655 20 0 GFADRO C[C@@H]1C[C@@H](c2ccccc2)C[N@@H+]1[C@@H]1CCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000736233709 599079436 /nfs/dbraw/zinc/07/94/36/599079436.db2.gz GXLCYXURGZXPGU-XFQXTVEOSA-N 1 0 388.475 2.850 20 0 GFADRO C[C@H](CNC(=O)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)C(C)(C)C ZINC000736018952 599105682 /nfs/dbraw/zinc/10/56/82/599105682.db2.gz YBYLRPPAGAACGN-MRXNPFEDSA-N 1 0 399.543 2.766 20 0 GFADRO C[C@H](C(=O)Nc1ccccc1-c1nn[nH]n1)[N@@H+]1CC[C@H](Cc2ccccc2)C1 ZINC000735559883 599134276 /nfs/dbraw/zinc/13/42/76/599134276.db2.gz ANIIXWUVZDDAHQ-NVXWUHKLSA-N 1 0 376.464 2.758 20 0 GFADRO Cc1cccnc1[C@@H]([NH2+]CCC(=O)Nc1cccc(-c2nn[nH]n2)c1)C(C)C ZINC000737436582 599134633 /nfs/dbraw/zinc/13/46/33/599134633.db2.gz UWRKKKMGVWFNNI-SFHVURJKSA-N 1 0 379.468 2.886 20 0 GFADRO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](Cc3ccccc3)C2)c(-c2nn[nH]n2)c1C ZINC000737548977 599136721 /nfs/dbraw/zinc/13/67/21/599136721.db2.gz SJSIGWXJTNGVSV-YOEHRIQHSA-N 1 0 394.479 2.968 20 0 GFADRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000736204492 599162004 /nfs/dbraw/zinc/16/20/04/599162004.db2.gz QDPDDUPDPXVGMU-HNNXBMFYSA-N 1 0 376.464 2.822 20 0 GFADRO CC(C)c1ccc(CCC[NH2+][C@@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000735922696 599210287 /nfs/dbraw/zinc/21/02/87/599210287.db2.gz IDKBKEYEBRRZTB-LJQANCHMSA-N 1 0 378.480 2.739 20 0 GFADRO COC(=O)CCC[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)Cc1cccc(F)c1 ZINC000736912794 599232908 /nfs/dbraw/zinc/23/29/08/599232908.db2.gz HQHSSZAYJYXDNF-UHFFFAOYSA-N 1 0 383.427 2.961 20 0 GFADRO C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)Nc2cccc(-c3nn[nH]n3)c2)C1 ZINC000821614467 599247319 /nfs/dbraw/zinc/24/73/19/599247319.db2.gz HPQGFOJWDUKDBJ-SFHVURJKSA-N 1 0 377.452 2.605 20 0 GFADRO C[NH+](C)[C@H](CNc1c(-c2nn[nH]n2)cnc2c(F)ccc(F)c21)c1ccccc1 ZINC000736758905 599254056 /nfs/dbraw/zinc/25/40/56/599254056.db2.gz JSUVZJNQKOZHSA-MRXNPFEDSA-N 1 0 395.417 2.830 20 0 GFADRO C[C@H]1CCCC[N@@H+]1CCCNc1c(-c2nn[nH]n2)cnc2c(F)ccc(F)c21 ZINC000736267060 599258271 /nfs/dbraw/zinc/25/82/71/599258271.db2.gz LMGKEZHAOPKPND-LBPRGKRZSA-N 1 0 387.438 2.791 20 0 GFADRO CC(C)Oc1ccc(-c2nn[nH]n2)cc1NC(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000820152480 599261858 /nfs/dbraw/zinc/26/18/58/599261858.db2.gz ZINUJLTXFCBWRF-HIFRSBDPSA-N 1 0 387.488 2.600 20 0 GFADRO Cc1cc(F)cc2c1ncc(-c1nn[nH]n1)c2NCCC[NH+]1CCC(C)CC1 ZINC000737263654 599260504 /nfs/dbraw/zinc/26/05/04/599260504.db2.gz NNFMRSSMRMOGON-UHFFFAOYSA-N 1 0 383.475 2.818 20 0 GFADRO CC(C)C[C@H](CNc1c(-c2nn[nH]n2)cnc2c(F)ccc(F)c21)[NH+](C)C ZINC000735772399 599263504 /nfs/dbraw/zinc/26/35/04/599263504.db2.gz SMXOWMPBIFQAOS-LLVKDONJSA-N 1 0 375.427 2.503 20 0 GFADRO Fc1ccc(F)c2c1ncc(-c1nn[nH]n1)c2N1CC[NH+](C2CCCC2)CC1 ZINC000737658782 599268229 /nfs/dbraw/zinc/26/82/29/599268229.db2.gz IISNSNWJUIZFGZ-UHFFFAOYSA-N 1 0 385.422 2.758 20 0 GFADRO C[C@@H](CNc1c(-c2nn[nH]n2)cnc2ccccc21)[N@@H+]1CCc2ccccc2C1 ZINC000736026699 599269536 /nfs/dbraw/zinc/26/95/36/599269536.db2.gz QBDZIZMUODKEKZ-HNNXBMFYSA-N 1 0 385.475 2.696 20 0 GFADRO O=C(CC[N@@H+]1CCS[C@H](c2ccccc2)C1)Nc1cccc(-c2nn[nH]n2)c1 ZINC000737846734 599272270 /nfs/dbraw/zinc/27/22/70/599272270.db2.gz LQRAMGBMBLTDPT-SFHVURJKSA-N 1 0 394.504 2.985 20 0 GFADRO Clc1cccc(NCCN2CC[NH+](Cc3ccccc3)CC2)c1-c1nn[nH]n1 ZINC000822585726 599287406 /nfs/dbraw/zinc/28/74/06/599287406.db2.gz LWOYMKZIEINUNK-UHFFFAOYSA-N 1 0 397.914 2.750 20 0 GFADRO COc1ccc(CC[NH+]2CCC(Oc3cccc(-c4nn[nH]n4)c3)CC2)cc1 ZINC000737087458 598248953 /nfs/dbraw/zinc/24/89/53/598248953.db2.gz HLGLZJPHJLTPQD-UHFFFAOYSA-N 1 0 379.464 2.961 20 0 GFADRO O=C(CC[N@H+]1CC[C@@H](c2cccc(F)c2)C1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000737836567 598253133 /nfs/dbraw/zinc/25/31/33/598253133.db2.gz BUKHJYMKTYMPHZ-MRXNPFEDSA-N 1 0 380.427 2.824 20 0 GFADRO Cc1ccccc1[C@H]1CC[N@H+](CCC(=O)Nc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000737423480 598254977 /nfs/dbraw/zinc/25/49/77/598254977.db2.gz QFEXKLUXJACZNI-KRWDZBQOSA-N 1 0 376.464 2.993 20 0 GFADRO Cc1ccccc1[C@H]1CC[N@H+](CCC(=O)Nc2cccc(-c3nn[nH]n3)c2)C1 ZINC000737420807 598255169 /nfs/dbraw/zinc/25/51/69/598255169.db2.gz HGUKGEFQBAJSJU-KRWDZBQOSA-N 1 0 376.464 2.993 20 0 GFADRO Cc1ccccc1[C@@H]1CC[N@H+](CCC(=O)Nc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000737423482 598255318 /nfs/dbraw/zinc/25/53/18/598255318.db2.gz QFEXKLUXJACZNI-QGZVFWFLSA-N 1 0 376.464 2.993 20 0 GFADRO O=C(Nc1ccc(F)cc1)C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000738165044 598300932 /nfs/dbraw/zinc/30/09/32/598300932.db2.gz DBPKETYIFOLULD-UHFFFAOYSA-N 1 0 380.427 2.857 20 0 GFADRO CC[N@H+](CCNC(=O)N(Cc1ccc(-c2nn[nH]n2)cc1)CC(C)C)C1CC1 ZINC000736537898 598305478 /nfs/dbraw/zinc/30/54/78/598305478.db2.gz YIUCYNQPCHDCPA-UHFFFAOYSA-N 1 0 385.516 2.519 20 0 GFADRO O=C(C[N@@H+]1CCCC[C@@H]1Cc1ccccc1)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000737875481 598422450 /nfs/dbraw/zinc/42/24/50/598422450.db2.gz CKNXKWKQGQUEIJ-HXUWFJFHSA-N 1 0 390.491 2.580 20 0 GFADRO C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)c3ccc(-c4nn[nH]n4)cn3)cc2)C1 ZINC000736275291 598445577 /nfs/dbraw/zinc/44/55/77/598445577.db2.gz BMWRZUNPWKVEQB-AWEZNQCLSA-N 1 0 377.452 2.746 20 0 GFADRO Fc1ccc(C2([NH2+]CCOc3cccc(-c4nn[nH]n4)c3)CCOCC2)cc1 ZINC000737647161 598486845 /nfs/dbraw/zinc/48/68/45/598486845.db2.gz CAPNNYGEYSOOSZ-UHFFFAOYSA-N 1 0 383.427 2.680 20 0 GFADRO O=C(C[NH2+]C1(c2ccc(F)cc2)CC1)Nc1cc(Cl)ccc1-c1nn[nH]n1 ZINC000737891967 598487130 /nfs/dbraw/zinc/48/71/30/598487130.db2.gz PBKJKRJTJLLBKP-UHFFFAOYSA-N 1 0 386.818 2.877 20 0 GFADRO C[C@@H]([NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1ccc(Cl)cc1Cl ZINC000736135256 598517210 /nfs/dbraw/zinc/51/72/10/598517210.db2.gz OMURZHGBSQPNBC-NXEZZACHSA-N 1 0 393.282 2.763 20 0 GFADRO C[C@H]([NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1ccc(Cl)cc1Cl ZINC000736135259 598517263 /nfs/dbraw/zinc/51/72/63/598517263.db2.gz OMURZHGBSQPNBC-UWVGGRQHSA-N 1 0 393.282 2.763 20 0 GFADRO Cc1c2ccccc2oc1[C@@H](C)[NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000737209284 598523821 /nfs/dbraw/zinc/52/38/21/598523821.db2.gz MBYDVTNSXNPZBI-OLZOCXBDSA-N 1 0 378.440 2.510 20 0 GFADRO CC(C)[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)C[C@@H](O)CN(C)Cc1ccccc1 ZINC000735875164 598532766 /nfs/dbraw/zinc/53/27/66/598532766.db2.gz ZYPWZOKBRIXRHV-NRFANRHFSA-N 1 0 394.523 2.570 20 0 GFADRO c1cn(CCC[NH2+]Cc2cccc(OCc3ccccc3-c3nn[nH]n3)c2)cn1 ZINC000738410729 598560722 /nfs/dbraw/zinc/56/07/22/598560722.db2.gz MWMAUOYDRMNSOK-UHFFFAOYSA-N 1 0 389.463 2.822 20 0 GFADRO C[NH+](C)[C@@H]1Cc2ccccc2N(C(=S)Nc2ccccc2-c2nn[nH]n2)C1 ZINC000736760597 598581629 /nfs/dbraw/zinc/58/16/29/598581629.db2.gz AWAIMQBOAFRVKQ-CQSZACIVSA-N 1 0 379.493 2.556 20 0 GFADRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)Nc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC000736225711 598625460 /nfs/dbraw/zinc/62/54/60/598625460.db2.gz RQSHRMLJUNQEMY-BETUJISGSA-N 1 0 389.479 2.884 20 0 GFADRO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)Nc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC000736265347 598625805 /nfs/dbraw/zinc/62/58/05/598625805.db2.gz IGFQJQMNRSFTRW-LBPRGKRZSA-N 1 0 375.452 2.638 20 0 GFADRO CC[N@@H+]1CCCN(c2cc(C)c(-c3nn[nH]n3)c3nc4ccccc4n32)CC1 ZINC000736572314 598628384 /nfs/dbraw/zinc/62/83/84/598628384.db2.gz YGEWXKZSCWCCND-UHFFFAOYSA-N 1 0 376.468 2.508 20 0 GFADRO O=C(NC1CCCCC1)C1CC[NH+](Cc2ccc(F)cc2-c2nn[nH]n2)CC1 ZINC000738027245 598683251 /nfs/dbraw/zinc/68/32/51/598683251.db2.gz ZMIYWWYILNPZAR-UHFFFAOYSA-N 1 0 386.475 2.667 20 0 GFADRO CC[N@@H+]1CCC[C@@H](NC(=O)c2cccc(Oc3ccc(-c4nn[nH]n4)cc3)c2)C1 ZINC000736569927 598700050 /nfs/dbraw/zinc/70/00/50/598700050.db2.gz KIOOLYKOUIVSQW-QGZVFWFLSA-N 1 0 392.463 2.873 20 0 GFADRO O=C(N[C@H]1CC[N@@H+](C2CC2)C1)c1cccc(Oc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000738026435 598700936 /nfs/dbraw/zinc/70/09/36/598700936.db2.gz SNLAKYPYYIUJHU-INIZCTEOSA-N 1 0 390.447 2.626 20 0 GFADRO C[C@@H](C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)[N@@H+]1CC[C@H](c2ccco2)C1 ZINC000735550873 598703316 /nfs/dbraw/zinc/70/33/16/598703316.db2.gz MKSOWPPEVDYKFW-RYUDHWBXSA-N 1 0 386.843 2.930 20 0 GFADRO O=C(C[N@H+]1CC[C@@H](c2ccc(Cl)cc2)C1)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000737876533 598708949 /nfs/dbraw/zinc/70/89/49/598708949.db2.gz RIUZFBMLUBEOQC-QGZVFWFLSA-N 1 0 396.882 2.626 20 0 GFADRO CC[N@@H+]1CCCC[C@H]1CNC(=O)N(Cc1ccc(-c2nn[nH]n2)cc1)C(C)C ZINC000736568463 598732523 /nfs/dbraw/zinc/73/25/23/598732523.db2.gz CFTBBNCTXACVLJ-SFHVURJKSA-N 1 0 385.516 2.661 20 0 GFADRO Cc1csc([C@@H]2CCC[N@@H+]2CCC(=O)Nc2ccccc2-c2nn[nH]n2)n1 ZINC000737454821 598760835 /nfs/dbraw/zinc/76/08/35/598760835.db2.gz HFPQJPCIKAPJLZ-HNNXBMFYSA-N 1 0 383.481 2.797 20 0 GFADRO CC(C)(C)[C@H](O)C[NH2+]Cc1cccc(OCc2ccccc2-c2nn[nH]n2)c1 ZINC000735598170 598777831 /nfs/dbraw/zinc/77/78/31/598777831.db2.gz XDHZAVKOPONJFJ-LJQANCHMSA-N 1 0 381.480 2.942 20 0 GFADRO C[C@H](C(=O)Nc1ccccc1-c1nn[nH]n1)N1CCC[C@H]([NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC000735564941 598809528 /nfs/dbraw/zinc/80/95/28/598809528.db2.gz ZOIYBHGSQAMAIW-NXOAAHMSSA-N 1 0 397.527 2.531 20 0 GFADRO O=C(Nc1ccc(-c2nn[nH]n2)c(C(F)(F)F)c1)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000823303649 599295815 /nfs/dbraw/zinc/29/58/15/599295815.db2.gz PORDKIUGKOXXMQ-KGLIPLIRSA-N 1 0 395.389 2.634 20 0 GFADRO COc1ccc([C@@H](C)[N@H+](C)CCC(=O)Nc2cccc(-c3nn[nH]n3)c2)cc1 ZINC000821778298 599302351 /nfs/dbraw/zinc/30/23/51/599302351.db2.gz XVEBMVHZTVWPCN-CQSZACIVSA-N 1 0 380.452 2.897 20 0 GFADRO C[C@H](c1ccc(-c2nn[nH]n2)cc1)[N@H+](C)Cc1ccccc1N1CCOCC1 ZINC000736199321 599307333 /nfs/dbraw/zinc/30/73/33/599307333.db2.gz XDFWBGLOGDCIJW-MRXNPFEDSA-N 1 0 378.480 2.896 20 0 GFADRO C[C@@H](c1ccc(-c2nn[nH]n2)cc1)[N@@H+]1CCC[C@H](C(=O)Nc2ccccn2)C1 ZINC000736197754 599308729 /nfs/dbraw/zinc/30/87/29/599308729.db2.gz ORTWPPATVHKULF-YOEHRIQHSA-N 1 0 377.452 2.673 20 0 GFADRO C[C@H]([NH2+][C@@H]1CC(=O)N([C@H]2C[C@@H]2c2ccccc2)C1)c1ccc(-c2nn[nH]n2)cc1 ZINC000820412717 599386808 /nfs/dbraw/zinc/38/68/08/599386808.db2.gz MPOWZNJYLPAISP-PSAKCFHXSA-N 1 0 388.475 2.674 20 0 GFADRO COc1ccccc1[C@H](C)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1 ZINC000821882452 599387559 /nfs/dbraw/zinc/38/75/59/599387559.db2.gz BBEDNAVMKNFWPR-SOUVJXGZSA-N 1 0 394.479 2.792 20 0 GFADRO C[C@H]([NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1)C(=O)NCc1ccc(Cl)cc1 ZINC000820414308 599391692 /nfs/dbraw/zinc/39/16/92/599391692.db2.gz XQKUMJOIWHFVLD-STQMWFEESA-N 1 0 384.871 2.876 20 0 GFADRO CC(C)[C@@H](CNC(=O)N[C@@H](C)c1cccc(-c2nn[nH]n2)c1)[NH+]1CCC(C)CC1 ZINC000820722941 599409849 /nfs/dbraw/zinc/40/98/49/599409849.db2.gz RVUGGBBTSSIDEC-QFBILLFUSA-N 1 0 399.543 2.983 20 0 GFADRO CC[C@@H]([NH2+]Cc1ccc(OC)c(-c2nn[nH]n2)c1)c1ccc2c(c1)OCCO2 ZINC000820925732 599411680 /nfs/dbraw/zinc/41/16/80/599411680.db2.gz KYYYCYCJODXXLE-MRXNPFEDSA-N 1 0 381.436 2.887 20 0 GFADRO CC(C)[C@H](CCO)[NH2+]Cc1cccc(OCc2cccc(-c3nn[nH]n3)c2)c1 ZINC000820021265 599451396 /nfs/dbraw/zinc/45/13/96/599451396.db2.gz RQRSXGXZKQXOEY-FQEVSTJZSA-N 1 0 381.480 2.942 20 0 GFADRO C[C@@H](CNc1ccc(F)cc1-c1nn[nH]n1)[NH+]1CCN(c2ccccc2)CC1 ZINC000820280396 599473723 /nfs/dbraw/zinc/47/37/23/599473723.db2.gz FHJJWHNPNFEGFM-HNNXBMFYSA-N 1 0 381.459 2.628 20 0 GFADRO C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@@H+]1C[C@@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000736235303 599477244 /nfs/dbraw/zinc/47/72/44/599477244.db2.gz MZUOFPFQYYSNBQ-DKSSEZFCSA-N 1 0 397.454 2.624 20 0 GFADRO c1csc([C@H](C[NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)N2CCCC2)c1 ZINC000738451733 599484460 /nfs/dbraw/zinc/48/44/60/599484460.db2.gz JONDQWYXGLEQEE-INIZCTEOSA-N 1 0 394.508 2.503 20 0 GFADRO c1ccc(CC[N@@H+]2CC[C@H](CNc3c(-c4nn[nH]n4)cnc4ccccc43)C2)cc1 ZINC000823779346 599527843 /nfs/dbraw/zinc/52/78/43/599527843.db2.gz ATRYARPPDUXMQS-GOSISDBHSA-N 1 0 399.502 2.813 20 0 GFADRO C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1)c1cccc(-c2nn[nH]n2)c1 ZINC000820321931 599527905 /nfs/dbraw/zinc/52/79/05/599527905.db2.gz OELSZOQSSNQZQK-DNVCBOLYSA-N 1 0 376.464 2.709 20 0 GFADRO FC(F)(F)c1ccc(-c2nn[nH]n2)c(N2CCC[N@@H+](C3CCCC3)CC2)n1 ZINC000737632062 599533098 /nfs/dbraw/zinc/53/30/98/599533098.db2.gz JIOMVANZECEBAW-UHFFFAOYSA-N 1 0 381.406 2.735 20 0 GFADRO Cc1cc(F)cc2c1ncc(-c1nn[nH]n1)c2N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000822204293 599544520 /nfs/dbraw/zinc/54/45/20/599544520.db2.gz KZSVBYNNLUAFEN-OAHLLOKOSA-N 1 0 381.459 2.927 20 0 GFADRO CC[N@@H+]1CCCN(C(=O)c2cccc(Nc3ccc(-c4nn[nH]n4)cc3)c2)CC1 ZINC000736571529 599568859 /nfs/dbraw/zinc/56/88/59/599568859.db2.gz SXOZOZJPVMHGEZ-UHFFFAOYSA-N 1 0 391.479 2.778 20 0 GFADRO c1c(C[N@@H+]2CCC[C@@H](c3nnc4ccccn43)C2)c(-c2nn[nH]n2)c2ccccn12 ZINC000738446187 599587478 /nfs/dbraw/zinc/58/74/78/599587478.db2.gz UWVGWHNATOSPOR-OAHLLOKOSA-N 1 0 399.462 2.542 20 0 GFADRO C[C@H]1C[N@H+](CCC(=O)Nc2ccccc2-c2nn[nH]n2)[C@H](c2ccccc2)CO1 ZINC000820753563 599645416 /nfs/dbraw/zinc/64/54/16/599645416.db2.gz ZHAPSJBQWQYBAE-KXBFYZLASA-N 1 0 392.463 2.657 20 0 GFADRO CCSCC[C@H](C)[N@H+](C)CC(=O)Nc1cc(Cl)ccc1-c1nn[nH]n1 ZINC000821457406 599646296 /nfs/dbraw/zinc/64/62/96/599646296.db2.gz WHHBTBJMXKAKQY-NSHDSACASA-N 1 0 382.921 2.922 20 0 GFADRO CC[N@H+](CC(=O)Nc1c(-c2nn[nH]n2)c(C)c(C)n1-c1ccccc1)C1CC1 ZINC000821165883 599690578 /nfs/dbraw/zinc/69/05/78/599690578.db2.gz YEHGSSPLNHNWFT-UHFFFAOYSA-N 1 0 379.468 2.697 20 0 GFADRO CC[NH+](CC)CCSCC(=O)N(Cc1ccc(-c2nn[nH]n2)cc1)C(C)C ZINC000821197214 599698463 /nfs/dbraw/zinc/69/84/63/599698463.db2.gz HQRRYXWGYHXZCR-UHFFFAOYSA-N 1 0 390.557 2.679 20 0 GFADRO CC(C)Oc1ccc(NC(=O)NCC[N@@H+]2CCCC[C@H]2C)cc1-c1nn[nH]n1 ZINC000820170175 607427651 /nfs/dbraw/zinc/42/76/51/607427651.db2.gz SUWVUGSNWFOXMI-CQSZACIVSA-N 1 0 387.488 2.650 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)NC1(c2cccc(-c3nn[nH]n3)c2)CC1)C1CCCCC1 ZINC000825851996 607449983 /nfs/dbraw/zinc/44/99/83/607449983.db2.gz ZSQVOHJEVLVJFQ-SFHVURJKSA-N 1 0 397.527 2.666 20 0 GFADRO CC[C@@H](Cc1ccccc1)[N@H+](C)CC(=O)Nc1oc(C)c(C)c1-c1nn[nH]n1 ZINC000820913526 607452715 /nfs/dbraw/zinc/45/27/15/607452715.db2.gz IFBRTRDAZKTIDK-INIZCTEOSA-N 1 0 382.468 2.968 20 0 GFADRO COC(=O)[C@H](C)[C@H]([NH2+]Cc1cc(-c2nn[nH]n2)ccc1OC)c1ccccc1 ZINC000826099086 607469135 /nfs/dbraw/zinc/46/91/35/607469135.db2.gz XZHIHILGJWEOJB-ACJLOTCBSA-N 1 0 381.436 2.515 20 0 GFADRO O[C@@H](C[C@H]1CCC[N@@H+]1CCOc1ccc(-c2nn[nH]n2)cc1)c1ccc(F)cc1 ZINC000826502696 607476687 /nfs/dbraw/zinc/47/66/87/607476687.db2.gz IYTXCSCCYCWDAE-QUCCMNQESA-N 1 0 397.454 2.973 20 0 GFADRO Fc1cc(-c2nn[nH]n2)ccc1CNC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000822741040 607479363 /nfs/dbraw/zinc/47/93/63/607479363.db2.gz QLECWWAMJZISOU-KRWDZBQOSA-N 1 0 380.471 2.660 20 0 GFADRO Fc1cc(-c2nn[nH]n2)ccc1C[NH2+]CCNc1ncc(Cl)cc1Cl ZINC000822740584 607483955 /nfs/dbraw/zinc/48/39/55/607483955.db2.gz LTUKQLILLILRTI-UHFFFAOYSA-N 1 0 382.230 2.909 20 0 GFADRO Cn1ccnc1C[C@@H]([NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)c1ccccc1 ZINC000822698951 607486036 /nfs/dbraw/zinc/48/60/36/607486036.db2.gz JJFHKFIOYFTALL-GOSISDBHSA-N 1 0 377.427 2.813 20 0 GFADRO COc1ccc(C[NH+]2CCN(c3ccc(Cl)cc3)CC2)cc1-c1nn[nH]n1 ZINC000826195421 607489225 /nfs/dbraw/zinc/48/92/25/607489225.db2.gz TUQFJJAYSNXZRT-UHFFFAOYSA-N 1 0 384.871 2.851 20 0 GFADRO CC(C)[C@H](CC[N@H+](C)Cc1ccnc(-c2nn[nH]n2)c1)NC(=O)OC(C)(C)C ZINC000824193021 607509541 /nfs/dbraw/zinc/50/95/41/607509541.db2.gz QNWGNUWXWHMFSH-HNNXBMFYSA-N 1 0 389.504 2.633 20 0 GFADRO COc1ccc(-c2nn[nH]n2)cc1C[N@@H+]1CCC[C@@H]1c1cccc2c1OCCO2 ZINC000826183630 607524786 /nfs/dbraw/zinc/52/47/86/607524786.db2.gz VNMBFZXEMODBBR-QGZVFWFLSA-N 1 0 393.447 2.984 20 0 GFADRO COc1ccc(-c2nn[nH]n2)cc1C[NH+]1CCC(N(C)c2ccccc2)CC1 ZINC000826182930 607637698 /nfs/dbraw/zinc/63/76/98/607637698.db2.gz YNHKUDKQAZZDJW-UHFFFAOYSA-N 1 0 378.480 2.976 20 0 GFADRO Cc1ccc([C@@H](CNC(=O)c2ccc(-c3nn[nH]n3)cc2C)[NH+]2CCCC2)o1 ZINC000826283945 607680659 /nfs/dbraw/zinc/68/06/59/607680659.db2.gz GDEFBGPAPSJECO-QGZVFWFLSA-N 1 0 380.452 2.643 20 0 GFADRO Cc1cc(-c2nn[nH]n2)ccc1C(=O)N(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000826243626 607699893 /nfs/dbraw/zinc/69/98/93/607699893.db2.gz OZPSWBFAUMFSGN-IBGZPJMESA-N 1 0 390.491 2.912 20 0 GFADRO C[N@H+](Cc1ccnc(-c2nn[nH]n2)c1)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000825986355 607747295 /nfs/dbraw/zinc/74/72/95/607747295.db2.gz ZTZWBCAFYHJXLJ-XYPWUTKMSA-N 1 0 399.499 2.624 20 0 GFADRO C[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)C[N@@H+]1Cc1cc(-c2nn[nH]n2)ccc1F ZINC000824882378 607750363 /nfs/dbraw/zinc/75/03/63/607750363.db2.gz AVBWTZIQGGOTIP-CHWSQXEVSA-N 1 0 390.463 2.741 20 0 GFADRO c1cc(-c2nn[nH]n2)cc(-c2nnc(C[NH+]3CCC(C4CCOCC4)CC3)o2)c1 ZINC000826512550 607757011 /nfs/dbraw/zinc/75/70/11/607757011.db2.gz FGUMKYWHZIJDHT-UHFFFAOYSA-N 1 0 395.467 2.555 20 0 GFADRO CC[N@H+](C)Cc1cccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCCN2C(=O)[O-])c1 ZINC000833856237 605826564 /nfs/dbraw/zinc/82/65/64/605826564.db2.gz BYWOZXSWWZWMHD-AQNXPRMDSA-N 1 0 375.513 2.775 20 0 GFADRO Fc1cc(-c2nn[nH]n2)ccc1C[NH+]1CCC(OC[C@H]2CCCCO2)CC1 ZINC000822740706 606117511 /nfs/dbraw/zinc/11/75/11/606117511.db2.gz MKBJRVANQKHWRR-QGZVFWFLSA-N 1 0 375.448 2.556 20 0 GFADRO Fc1ccc(-c2nn[nH]n2)cc1C[NH+]1CCC(OC[C@H]2CCCCO2)CC1 ZINC000822758347 606117826 /nfs/dbraw/zinc/11/78/26/606117826.db2.gz MNKMMFVDNZVGCP-QGZVFWFLSA-N 1 0 375.448 2.556 20 0 GFADRO C[C@@H](Oc1ccccc1-c1nn[nH]n1)C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000820542677 606124711 /nfs/dbraw/zinc/12/47/11/606124711.db2.gz QBNLAKDHQZPZNP-OAHLLOKOSA-N 1 0 398.511 2.547 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CN(C)C(=S)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000821268145 606167395 /nfs/dbraw/zinc/16/73/95/606167395.db2.gz ULJUHADNZWFENQ-LBPRGKRZSA-N 1 0 379.921 2.633 20 0 GFADRO O[C@H](C[C@H]1CCC[N@@H+]1CCOc1ccc(-c2nn[nH]n2)cc1)c1cccs1 ZINC000823672386 606186871 /nfs/dbraw/zinc/18/68/71/606186871.db2.gz DMVNZSUFHLOZQS-NVXWUHKLSA-N 1 0 385.493 2.895 20 0 GFADRO C[C@H]1C[C@@H](NC(=O)c2ccc(-c3nn[nH]n3)s2)CC[N@@H+]1Cc1ccccc1 ZINC000820658051 606188148 /nfs/dbraw/zinc/18/81/48/606188148.db2.gz OYSIAVGYNSIQQR-ZFWWWQNUSA-N 1 0 382.493 2.711 20 0 GFADRO CC1CC[NH+](Cc2ccc(NC(=O)c3cc(-c4nn[nH]n4)cn3C)cc2)CC1 ZINC000820722666 606280319 /nfs/dbraw/zinc/28/03/19/606280319.db2.gz LHIZCXHNUOELLF-UHFFFAOYSA-N 1 0 379.468 2.689 20 0 GFADRO O=C(CCc1ccccc1)N1CCC[N@H+](Cc2ccccc2-c2nn[nH]n2)CC1 ZINC000822983095 606334961 /nfs/dbraw/zinc/33/49/61/606334961.db2.gz JTCAHDJOZZAJNN-UHFFFAOYSA-N 1 0 390.491 2.534 20 0 GFADRO O=C(NC[C@H]1CCC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2F)C1)c1ccccc1 ZINC000823175303 606379434 /nfs/dbraw/zinc/37/94/34/606379434.db2.gz FFFHCTDPZWHWQA-OAHLLOKOSA-N 1 0 394.454 2.648 20 0 GFADRO Cc1cccc(N2CCN(CCC[NH2+]Cc3ccc(-c4nn[nH]n4)s3)CC2)c1 ZINC000822308707 606407302 /nfs/dbraw/zinc/40/73/02/606407302.db2.gz IXUPMLWDFJSARW-UHFFFAOYSA-N 1 0 397.552 2.539 20 0 GFADRO CC(C)(C)OC(=O)N1CCCC[C@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC000819933167 606412163 /nfs/dbraw/zinc/41/21/63/606412163.db2.gz IJOAVQFREPCRIW-LBPRGKRZSA-N 1 0 378.502 2.807 20 0 GFADRO Brc1cc(C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)cc2c1OCO2 ZINC000819689007 606412344 /nfs/dbraw/zinc/41/23/44/606412344.db2.gz SIQQXIRIEXAJGQ-UHFFFAOYSA-N 1 0 394.254 2.709 20 0 GFADRO c1cc(-c2nnn[n-]2)oc1C[NH2+]CCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000823780050 606426795 /nfs/dbraw/zinc/42/67/95/606426795.db2.gz NCIGKWVUVXZDAJ-UHFFFAOYSA-N 1 0 396.495 2.621 20 0 GFADRO Cc1nccn1[C@@H]1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2OC(F)F)C1 ZINC000822479026 606489580 /nfs/dbraw/zinc/48/95/80/606489580.db2.gz XQFBDSYKZCWCEU-OAHLLOKOSA-N 1 0 389.410 2.810 20 0 GFADRO Cc1nccn1[C@H]1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2OC(F)F)C1 ZINC000822479025 606489737 /nfs/dbraw/zinc/48/97/37/606489737.db2.gz XQFBDSYKZCWCEU-HNNXBMFYSA-N 1 0 389.410 2.810 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)Cc2ccc(-c3nn[nH]n3)cc2OC(F)F)C[C@H]1C ZINC000821253198 606500335 /nfs/dbraw/zinc/50/03/35/606500335.db2.gz DVFGEWLENVSZJE-IUODEOHRSA-N 1 0 380.443 2.773 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)Cc2ccc(-c3nn[nH]n3)cc2OC(F)F)C[C@@H]1C ZINC000821253200 606500572 /nfs/dbraw/zinc/50/05/72/606500572.db2.gz DVFGEWLENVSZJE-SWLSCSKDSA-N 1 0 380.443 2.773 20 0 GFADRO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@H+]2CCC[C@@H]2C)c1-c1nn[nH]n1 ZINC000822016333 606505334 /nfs/dbraw/zinc/50/53/34/606505334.db2.gz XRXZHLLGQJCFNA-LBPRGKRZSA-N 1 0 397.458 2.836 20 0 GFADRO CC[NH+](CC)Cc1ccc(CNC(=O)Cc2cccc(-c3nn[nH]n3)c2)cc1 ZINC000821197974 606519764 /nfs/dbraw/zinc/51/97/64/606519764.db2.gz PXWALBQWTVBLRR-UHFFFAOYSA-N 1 0 378.480 2.567 20 0 GFADRO CC[C@H](C(=O)OCc1ccc(-c2nn[nH]n2)cc1OC(F)F)[NH+](CC)CC ZINC000820848385 606560759 /nfs/dbraw/zinc/56/07/59/606560759.db2.gz WUCQVNAIBZMEPX-CYBMUJFWSA-N 1 0 383.399 2.632 20 0 GFADRO C[C@H]1CCN(C(=O)c2ccc(-c3nn[nH]n3)s2)CC[N@@H+]1Cc1ccccc1 ZINC000820717987 606578899 /nfs/dbraw/zinc/57/88/99/606578899.db2.gz ZPLRRPFUPGIERD-AWEZNQCLSA-N 1 0 382.493 2.665 20 0 GFADRO COC(=O)CCC1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2OC(F)F)CC1 ZINC000821660346 606612443 /nfs/dbraw/zinc/61/24/43/606612443.db2.gz NQKFMOZRVUWLSH-UHFFFAOYSA-N 1 0 395.410 2.633 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=S)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)C1 ZINC000821581760 606618500 /nfs/dbraw/zinc/61/85/00/606618500.db2.gz UQYCBNFJLKGZGM-ZYHUDNBSSA-N 1 0 379.921 2.679 20 0 GFADRO C[C@H](C(=O)Nc1cccc(-c2nn[nH]n2)c1)[N@@H+]1CC[C@H](c2ccc(F)cc2)C1 ZINC000819877045 606713611 /nfs/dbraw/zinc/71/36/11/606713611.db2.gz NPXCVDNCEGMRQQ-CJNGLKHVSA-N 1 0 380.427 2.822 20 0 GFADRO O=C(Nc1ccsc1)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000823375752 606830681 /nfs/dbraw/zinc/83/06/81/606830681.db2.gz INKVFBCVVZRZKI-UHFFFAOYSA-N 1 0 383.481 2.668 20 0 GFADRO O[C@H](C[NH2+]Cc1ccc(Br)s1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823689561 606853185 /nfs/dbraw/zinc/85/31/85/606853185.db2.gz HVKOAPLXSRYCAK-GFCCVEGCSA-N 1 0 380.271 2.514 20 0 GFADRO O[C@H](C[NH2+]Cc1ccc(F)cc1Br)c1ccc(-c2nn[nH]n2)cc1 ZINC000823690361 606858626 /nfs/dbraw/zinc/85/86/26/606858626.db2.gz NVCNBFWOGGCLOU-OAHLLOKOSA-N 1 0 392.232 2.592 20 0 GFADRO OCCC[N@H+](C[C@H](O)c1ccc(-c2nn[nH]n2)cc1)[C@@H]1CCCc2ccccc21 ZINC000823718029 606910283 /nfs/dbraw/zinc/91/02/83/606910283.db2.gz PLIJVTUXHJRMAX-RTWAWAEBSA-N 1 0 393.491 2.662 20 0 GFADRO CCc1nnc(N2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)c(-c2nn[nH]n2)c1CC ZINC000821522193 606935376 /nfs/dbraw/zinc/93/53/76/606935376.db2.gz KEXFZHKNPUTEGW-JKSUJKDBSA-N 1 0 398.559 2.872 20 0 GFADRO CCC[C@H]([NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1ccc(F)cc1F ZINC000821022995 606951994 /nfs/dbraw/zinc/95/19/94/606951994.db2.gz VBXMUYHXJDDNKV-ZBEGNZNMSA-N 1 0 388.426 2.514 20 0 GFADRO C[N@H+](Cc1ccc(F)c(-c2nn[nH]n2)c1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000821610992 606963661 /nfs/dbraw/zinc/96/36/61/606963661.db2.gz MVMKVFUHKADFDM-UHFFFAOYSA-N 1 0 390.463 2.837 20 0 GFADRO O=C(NC1CCCCC1)C1CC[NH+](Cc2ccc(F)c(-c3nn[nH]n3)c2)CC1 ZINC000823150230 606967730 /nfs/dbraw/zinc/96/77/30/606967730.db2.gz MSJKUMBOZPPAIP-UHFFFAOYSA-N 1 0 386.475 2.667 20 0 GFADRO C[C@@H](CC[NH2+]Cc1cccc(OCc2cccc(-c3nn[nH]n3)c2)c1)[S@](C)=O ZINC000820243000 607009277 /nfs/dbraw/zinc/00/92/77/607009277.db2.gz SUBXXZLBTGUUSJ-HBIPHATFSA-N 1 0 399.520 2.692 20 0 GFADRO C[C@@H]([NH2+][C@H](C)c1ccc(S(C)(=O)=O)c(F)c1)c1ccc(-c2nn[nH]n2)cc1 ZINC000820413422 607013869 /nfs/dbraw/zinc/01/38/69/607013869.db2.gz PSVLUWYGHUXUPB-VXGBXAGGSA-N 1 0 389.456 2.821 20 0 GFADRO C[N@@H+]1CCC[C@H]2CN(c3c(-c4nn[nH]n4)cnc4c(F)cc(F)cc43)CC[C@@H]21 ZINC000821625922 607031255 /nfs/dbraw/zinc/03/12/55/607031255.db2.gz YLXRQKLQNDBSBY-ZBEGNZNMSA-N 1 0 385.422 2.614 20 0 GFADRO Cc1ccc2c(c1)CC[C@@H]2[NH2+]C1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1 ZINC000822274577 607048078 /nfs/dbraw/zinc/04/80/78/607048078.db2.gz BONJXEXBPOLHLM-IBGZPJMESA-N 1 0 375.480 2.816 20 0 GFADRO C[C@H](c1ccc(-n2cncn2)cc1)[N@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1 ZINC000820562241 607055968 /nfs/dbraw/zinc/05/59/68/607055968.db2.gz DXNLKKXLAFOILJ-CYBMUJFWSA-N 1 0 378.415 2.780 20 0 GFADRO Fc1ccc(-c2nn[nH]n2)c(C[N@@H+]2CCC[C@@H](c3nnc4n3CCCCC4)C2)c1 ZINC000822757633 607057270 /nfs/dbraw/zinc/05/72/70/607057270.db2.gz APKRVVWJOWQIRN-CQSZACIVSA-N 1 0 396.474 2.703 20 0 GFADRO Cc1cccc(NC(=O)[C@@H]2CCC[N@H+](Cc3cc(F)ccc3-c3nn[nH]n3)C2)n1 ZINC000822324115 607058920 /nfs/dbraw/zinc/05/89/20/607058920.db2.gz VVLSMUXIBFFILH-CQSZACIVSA-N 1 0 395.442 2.560 20 0 GFADRO CCCCCCNC(=O)[C@@H]1CCC[N@H+](Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC000821056411 607059651 /nfs/dbraw/zinc/05/96/51/607059651.db2.gz QRQIPCYNDYSNFE-OAHLLOKOSA-N 1 0 388.491 2.914 20 0 GFADRO O=C(NC[C@@H]1CCCC[N@H+]1Cc1cc(F)ccc1-c1nn[nH]n1)c1ccccc1 ZINC000823175668 607071700 /nfs/dbraw/zinc/07/17/00/607071700.db2.gz LXFLRAQRMBETHV-SFHVURJKSA-N 1 0 394.454 2.790 20 0 GFADRO CC[C@@H](Cc1ccccc1)[N@H+](CC)CC(=O)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000820916067 607090820 /nfs/dbraw/zinc/09/08/20/607090820.db2.gz XUXKSIHOBVZQRT-FQEVSTJZSA-N 1 0 392.507 2.826 20 0 GFADRO Cc1cccc(C(=O)N2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)c1F ZINC000822284184 607152516 /nfs/dbraw/zinc/15/25/16/607152516.db2.gz LKAKNENDNAVFLI-UHFFFAOYSA-N 1 0 394.454 2.662 20 0 GFADRO O=C(NCCC[NH+]1CCCCCC1)Nc1ccc(-c2nn[nH]n2)cc1Cl ZINC000823191091 607203649 /nfs/dbraw/zinc/20/36/49/607203649.db2.gz IMYMJVPCECJCIG-UHFFFAOYSA-N 1 0 377.880 2.908 20 0 GFADRO C[C@@H]([NH2+][C@H](CN1CCCC1=O)c1ccccc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000820413722 607208583 /nfs/dbraw/zinc/20/85/83/607208583.db2.gz UVOHUDKAJCKZEW-DNVCBOLYSA-N 1 0 376.464 2.881 20 0 GFADRO C[C@@H]1C[NH+](CCCNc2cc(-c3nn[nH]n3)ccc2C(F)(F)F)C[C@@H](C)O1 ZINC000820761231 607226942 /nfs/dbraw/zinc/22/69/42/607226942.db2.gz VVFUPIFROCIHSU-VXGBXAGGSA-N 1 0 384.406 2.797 20 0 GFADRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N(Cc1ccc(-c2nn[nH]n2)cc1)C(C)C ZINC000824261695 607781872 /nfs/dbraw/zinc/78/18/72/607781872.db2.gz PQRWBMGUPNRPIU-LJQANCHMSA-N 1 0 399.543 2.907 20 0 GFADRO CC[C@H](C)[C@H](C)[N@H+](CCS(=O)(=O)c1cccc(-c2nn[nH]n2)c1)C1CC1 ZINC000825059631 607828193 /nfs/dbraw/zinc/82/81/93/607828193.db2.gz HZRNPSRMNZDGDL-KBPBESRZSA-N 1 0 377.514 2.539 20 0 GFADRO COc1ccc(-c2nn[nH]n2)cc1C[N@H+](Cc1ccccc1)[C@H](CO)C1CC1 ZINC000826182290 607858379 /nfs/dbraw/zinc/85/83/79/607858379.db2.gz GKVKYASHTRVORW-LJQANCHMSA-N 1 0 379.464 2.648 20 0 GFADRO CC[C@@H]1Oc2cc([C@H](C)[NH2+]Cc3ccccc3-c3nn[nH]n3)ccc2NC1=O ZINC000825219246 607909949 /nfs/dbraw/zinc/90/99/49/607909949.db2.gz IPGNPCRXHRWABV-SJCJKPOMSA-N 1 0 378.436 2.827 20 0 GFADRO COc1ccc(C[NH2+][C@H](C)c2cnn(Cc3ccccc3)c2)cc1-c1nn[nH]n1 ZINC000826202064 607910888 /nfs/dbraw/zinc/91/08/88/607910888.db2.gz NBLRNDHCELPMJP-OAHLLOKOSA-N 1 0 389.463 2.971 20 0 GFADRO CC[C@@H]([NH2+]Cc1cccc(-c2nn[nH]n2)c1)[C@@H](c1ccc(C)cc1)n1cncn1 ZINC000825147272 607911452 /nfs/dbraw/zinc/91/14/52/607911452.db2.gz HFSUWKNFMPQYOO-WOJBJXKFSA-N 1 0 388.479 2.924 20 0 GFADRO CCS[C@@H]1CC[C@H]([N@H+](C)Cc2cccc(C(=O)OC)c2-c2nn[nH]n2)C1 ZINC000825669461 607923430 /nfs/dbraw/zinc/92/34/30/607923430.db2.gz YGKGRAYURPJANN-UONOGXRCSA-N 1 0 375.498 2.759 20 0 GFADRO CC[N@@H+](Cc1cccc(C(=O)OC)c1-c1nn[nH]n1)C[C@H](O)c1ccc(C)cc1 ZINC000825435316 607923650 /nfs/dbraw/zinc/92/36/50/607923650.db2.gz UALWVEKALWYPGN-SFHVURJKSA-N 1 0 395.463 2.517 20 0 GFADRO Cc1c(C)n(C2CCCC2)c(NC(=O)CSCC[NH+](C)C)c1-c1nn[nH]n1 ZINC000826233413 607932510 /nfs/dbraw/zinc/93/25/10/607932510.db2.gz GGXAGPKOWTZCHJ-UHFFFAOYSA-N 1 0 391.545 2.633 20 0 GFADRO c1nc2ccccc2n1C[C@H]1CCC[N@H+]1CCOc1cccc(-c2nn[nH]n2)c1 ZINC000826517578 607958881 /nfs/dbraw/zinc/95/88/81/607958881.db2.gz IGGBDKMACVLDOT-QGZVFWFLSA-N 1 0 389.463 2.760 20 0 GFADRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1c(Cl)cc(-c2nn[nH]n2)cc1Cl ZINC000826431956 607964162 /nfs/dbraw/zinc/96/41/62/607964162.db2.gz OOOKBOQCBVMCKH-STQMWFEESA-N 1 0 381.267 2.530 20 0 GFADRO FC(F)(F)c1ccc(NC2CC[NH+]([C@@H]3CCOC3)CC2)c(-c2nn[nH]n2)c1 ZINC000826368809 608016418 /nfs/dbraw/zinc/01/64/18/608016418.db2.gz BVJLTLGOAXWQML-CYBMUJFWSA-N 1 0 382.390 2.551 20 0 GFADRO C[N@@H+]1CCC[C@@H]2CN(c3ccc(-c4nn[nH]n4)cc3Br)CC[C@@H]21 ZINC000826033467 608051323 /nfs/dbraw/zinc/05/13/23/608051323.db2.gz DQFQHGRVUFKTGY-OCCSQVGLSA-N 1 0 377.290 2.550 20 0 GFADRO COc1ccc([C@@](C)(O)[C@H]2CCC[N@@H+]2Cc2ccc(F)cc2-c2nn[nH]n2)cc1 ZINC000826188474 608064416 /nfs/dbraw/zinc/06/44/16/608064416.db2.gz XZRDUVZVYDHEMC-TZIWHRDSSA-N 1 0 397.454 2.887 20 0 GFADRO CN1CC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)[C@H]1c1ccc(F)c(F)c1 ZINC000826029982 608113659 /nfs/dbraw/zinc/11/36/59/608113659.db2.gz ZBLGKLIDOQHAPI-QZTJIDSGSA-N 1 0 388.397 2.819 20 0 GFADRO CC[N@H+](Cc1ccccc1C)[C@H]1CCN(c2sccc2-c2nn[nH]n2)C1=O ZINC000825439658 608122050 /nfs/dbraw/zinc/12/20/50/608122050.db2.gz JKVYBJNZCQACCQ-INIZCTEOSA-N 1 0 382.493 2.864 20 0 GFADRO Cc1cccc(CN(CC[NH+](C)C)c2snc(Cl)c2-c2nn[nH]n2)c1 ZINC000826298535 608190867 /nfs/dbraw/zinc/19/08/67/608190867.db2.gz XKTMAYWRBUNJHI-UHFFFAOYSA-N 1 0 377.905 2.853 20 0 GFADRO O=C([C@H]1CC12CC[NH+](Cc1ccc(F)c(-c3nn[nH]n3)c1)CC2)N1CCCCC1 ZINC000826398014 608212435 /nfs/dbraw/zinc/21/24/35/608212435.db2.gz OQJVUBUIYFKKDR-QGZVFWFLSA-N 1 0 398.486 2.620 20 0 GFADRO c1cc2nc(NCC3([NH+]4CCOCC4)CCCCC3)ccc2cc1-c1nn[nH]n1 ZINC000826518610 608222579 /nfs/dbraw/zinc/22/25/79/608222579.db2.gz SUUXZXICCFRYCP-UHFFFAOYSA-N 1 0 393.495 2.862 20 0 GFADRO CN1CCO[C@H]([C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)c2ccc(Cl)cc2)C1 ZINC000826045578 608242794 /nfs/dbraw/zinc/24/27/94/608242794.db2.gz ZOTMYJGWRRQFNJ-OALUTQOASA-N 1 0 398.898 2.682 20 0 GFADRO c1cc(OCCC[N@@H+]2CCC[C@@H](c3nnc(C4CC4)[nH]3)C2)cc(-c2nn[nH]n2)c1 ZINC000826517540 608256667 /nfs/dbraw/zinc/25/66/67/608256667.db2.gz HJTMHQDAOZKPCP-MRXNPFEDSA-N 1 0 394.483 2.511 20 0 GFADRO COCCOc1ccc([C@H](C)[NH2+]CCOc2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000826162583 608281522 /nfs/dbraw/zinc/28/15/22/608281522.db2.gz JBTOJCONEHRCFH-HNNXBMFYSA-N 1 0 383.452 2.622 20 0 GFADRO C[C@@H]([NH2+]CCOc1ccc(-c2nn[nH]n2)cc1)c1cccc(N2CCOC2=O)c1 ZINC000824599526 608282060 /nfs/dbraw/zinc/28/20/60/608282060.db2.gz QLLGCIFNSRHYFB-CQSZACIVSA-N 1 0 394.435 2.553 20 0 GFADRO O[C@@H](C[N@H+]1CC=C(c2ccc(Cl)nc2)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000826503100 608325443 /nfs/dbraw/zinc/32/54/43/608325443.db2.gz QMIFIBDAZASPGG-KRWDZBQOSA-N 1 0 382.855 2.738 20 0 GFADRO c1cc(-c2nnc(C[N@H+]3CCC[C@H](C[C@H]4CCOC4)C3)o2)ccc1-c1nn[nH]n1 ZINC000826512813 608326884 /nfs/dbraw/zinc/32/68/84/608326884.db2.gz OPIBVOYRTVATAL-HUUCEWRRSA-N 1 0 395.467 2.555 20 0 GFADRO CCN(CC)C(=O)C1([NH2+]Cc2ccc(-c3nn[nH]n3)cc2OC)CCCCC1 ZINC000825398875 608371415 /nfs/dbraw/zinc/37/14/15/608371415.db2.gz ACIASGZZYLKDRR-UHFFFAOYSA-N 1 0 386.500 2.536 20 0 GFADRO C[C@@H]1C[N@H+](Cc2cccc(-c3nn[nH]n3)c2F)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000824984939 608406353 /nfs/dbraw/zinc/40/63/53/608406353.db2.gz PQMNKYXFVPXSSP-DOMZBBRYSA-N 1 0 390.463 2.741 20 0 GFADRO C[C@@H](NC(=O)N1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1)C(C)(C)C[NH+](C)C ZINC000824490921 608419573 /nfs/dbraw/zinc/41/95/73/608419573.db2.gz RCMGSAPUYRYWEV-OAHLLOKOSA-N 1 0 397.527 2.642 20 0 GFADRO COc1ccc([C@@H](C)[NH2+]CC(=O)Nc2cc(Cl)ccc2-c2nn[nH]n2)cc1 ZINC000826188391 608431814 /nfs/dbraw/zinc/43/18/14/608431814.db2.gz VXBHHCTYJGAMCG-LLVKDONJSA-N 1 0 386.843 2.818 20 0 GFADRO CC(C)[NH+]1CCN(c2cccc(NC(=O)c3sccc3-c3nn[nH]n3)c2)CC1 ZINC000824301445 608449664 /nfs/dbraw/zinc/44/96/64/608449664.db2.gz ZOWXGIBGKYSUTN-UHFFFAOYSA-N 1 0 397.508 2.711 20 0 GFADRO COc1cc([C@H](C)[NH2+]CCOc2cccc(-c3nn[nH]n3)c2)cc(OC)c1OC ZINC000826177429 608449756 /nfs/dbraw/zinc/44/97/56/608449756.db2.gz HYKKJUZVHVYJJY-ZDUSSCGKSA-N 1 0 399.451 2.622 20 0 GFADRO CCOc1ccccc1[C@@H](CC)[NH2+]CC(=O)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000825654233 608458367 /nfs/dbraw/zinc/45/83/67/608458367.db2.gz SVEDPYBKCRYECE-GOSISDBHSA-N 1 0 394.479 2.623 20 0 GFADRO CSc1ccc(CN(C)C(=O)C[NH2+][C@@H](C)c2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000826230755 608460280 /nfs/dbraw/zinc/46/02/80/608460280.db2.gz IXTONEKYQZCHRN-AWEZNQCLSA-N 1 0 396.520 2.898 20 0 GFADRO C[C@@H]([NH2+]CC(=O)N[C@@H](c1ccccc1)C1CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824553673 608462178 /nfs/dbraw/zinc/46/21/78/608462178.db2.gz FSZGOKRRNZCODR-VLIAUNLRSA-N 1 0 376.464 2.785 20 0 GFADRO C[C@@H]([NH2+]CC(=O)Nc1ccccc1OC(F)F)c1ccc(-c2nn[nH]n2)cc1 ZINC000824562611 608463747 /nfs/dbraw/zinc/46/37/47/608463747.db2.gz HRVUBKSNRJNROE-LLVKDONJSA-N 1 0 388.378 2.757 20 0 GFADRO C[C@H]([NH2+]CC(=O)Nc1ccc(OC(F)F)cc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824562610 608466769 /nfs/dbraw/zinc/46/67/69/608466769.db2.gz HPDMRJBYNWWGFY-NSHDSACASA-N 1 0 388.378 2.757 20 0 GFADRO CC[C@@H]([NH2+]CCOc1cccc(-c2nn[nH]n2)c1)c1ccc2c(c1)OCCO2 ZINC000825142378 608470834 /nfs/dbraw/zinc/47/08/34/608470834.db2.gz RERJESQEDHFJAI-QGZVFWFLSA-N 1 0 381.436 2.758 20 0 GFADRO C[C@H]([NH2+]Cc1cccc(-c2nn[nH]n2)c1F)c1ccc(N2CCCC2=O)cc1 ZINC000824619763 608475883 /nfs/dbraw/zinc/47/58/83/608475883.db2.gz ZWZOYTUBOVLNMP-ZDUSSCGKSA-N 1 0 380.427 2.983 20 0 GFADRO CC[C@H]([NH2+][C@H](C)c1cccc(-c2nn[nH]n2)c1)C(=O)Nc1ccc(OC)cc1 ZINC000825139171 608486275 /nfs/dbraw/zinc/48/62/75/608486275.db2.gz CPWOMYLCAOAQEK-ACJLOTCBSA-N 1 0 380.452 2.943 20 0 GFADRO O=C([C@@H]1CCC[N@@H+]1C1CCCC1)N1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826398686 608489228 /nfs/dbraw/zinc/48/92/28/608489228.db2.gz BZVOCAIBVOEPPB-FQEVSTJZSA-N 1 0 392.507 2.889 20 0 GFADRO CC[C@H](C[NH+]1CCCC1)NC(=O)N1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000825122081 608493175 /nfs/dbraw/zinc/49/31/75/608493175.db2.gz WWFWWDJYTJUOCF-LJQANCHMSA-N 1 0 395.511 2.540 20 0 GFADRO Cc1cccc(C)c1OC[C@H](O)C[NH2+][C@H]1CCCc2cc(-c3nn[nH]n3)ccc21 ZINC000826296790 608503952 /nfs/dbraw/zinc/50/39/52/608503952.db2.gz JDTBAAJKKZTKAL-QUCCMNQESA-N 1 0 393.491 2.890 20 0 GFADRO O=C(NC1CC1)c1ccc(C[NH2+][C@H]2CCCc3cc(-c4nn[nH]n4)ccc32)cc1 ZINC000826428629 608505829 /nfs/dbraw/zinc/50/58/29/608505829.db2.gz HLSBDFQKICKIFZ-FQEVSTJZSA-N 1 0 388.475 2.926 20 0 GFADRO O=C(NCC[NH2+][C@@H]1CCCc2cc(-c3nn[nH]n3)ccc21)c1ccc(Cl)cc1 ZINC000826437395 608505887 /nfs/dbraw/zinc/50/58/87/608505887.db2.gz JPJFOHJMHMBGLI-GOSISDBHSA-N 1 0 396.882 2.917 20 0 GFADRO CC[C@@H]1CN(C(=O)C2CC2)CC[C@@H]1[NH2+][C@@H]1CCCc2cc(-c3nn[nH]n3)ccc21 ZINC000825201184 608514554 /nfs/dbraw/zinc/51/45/54/608514554.db2.gz FGOLETFCJIJAMB-VOBQZIQPSA-N 1 0 394.523 2.871 20 0 GFADRO COc1ccc(C2([NH2+]CC(=O)Nc3cc(Cl)ccc3-c3nn[nH]n3)CC2)cc1 ZINC000826190052 608521314 /nfs/dbraw/zinc/52/13/14/608521314.db2.gz OBQFGRIAXTWRLB-UHFFFAOYSA-N 1 0 398.854 2.746 20 0 GFADRO O[C@@H](C[NH2+][C@H](CC1CC1)c1ccccc1)COc1ccc(-c2nn[nH]n2)cc1 ZINC000826502278 608528444 /nfs/dbraw/zinc/52/84/44/608528444.db2.gz AMEYIMIGHGELHF-AZUAARDMSA-N 1 0 379.464 2.737 20 0 GFADRO Cc1ccccc1C(=O)NC1CC[NH+](Cc2ccc(-c3nn[nH]n3)s2)CC1 ZINC000826305741 608530660 /nfs/dbraw/zinc/53/06/60/608530660.db2.gz HKRUROZQQGXMFS-UHFFFAOYSA-N 1 0 382.493 2.631 20 0 GFADRO CCc1ccc(C(C)(C)[NH2+]C[C@H](O)COc2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000825704639 608538133 /nfs/dbraw/zinc/53/81/33/608538133.db2.gz LJCSSUSDKVSCRU-SFHVURJKSA-N 1 0 381.480 2.694 20 0 GFADRO c1ccc(N2CCC[N@@H+](Cc3ccc4c(c3)COC4)CC2)c(-c2nn[nH]n2)c1 ZINC000826522131 608585449 /nfs/dbraw/zinc/58/54/49/608585449.db2.gz MZOGYAOANGLRND-UHFFFAOYSA-N 1 0 376.464 2.609 20 0 GFADRO Fc1cccc(N2CC[NH+](C[C@H]3C[C@@H]3c3ccccc3)CC2)c1-c1nn[nH]n1 ZINC000826377626 608596316 /nfs/dbraw/zinc/59/63/16/608596316.db2.gz ZIYHRSGGGIYORL-IAGOWNOFSA-N 1 0 378.455 2.932 20 0 GFADRO Fc1cc(-c2nn[nH]n2)ccc1N1CC[NH+](C[C@@H]2C[C@@H]2c2ccccc2)CC1 ZINC000826372352 608640848 /nfs/dbraw/zinc/64/08/48/608640848.db2.gz SHIQYCQQVKLZNC-ZWKOTPCHSA-N 1 0 378.455 2.932 20 0 GFADRO CN(Cc1cccc(-c2nn[nH]n2)c1F)C1CC[NH+](CCc2ccccn2)CC1 ZINC000825976978 608651462 /nfs/dbraw/zinc/65/14/62/608651462.db2.gz UJWHYDNWYDSXRN-UHFFFAOYSA-N 1 0 395.486 2.540 20 0 GFADRO O=C(Nc1ccc(F)cc1)C1CC[NH+](Cc2cccc(-c3nn[nH]n3)c2F)CC1 ZINC000826454038 608652491 /nfs/dbraw/zinc/65/24/91/608652491.db2.gz HZMDVUSIHAQJFK-UHFFFAOYSA-N 1 0 398.417 2.996 20 0 GFADRO COc1ccc([C@@H]2CC[N@H+](Cc3cnc4ccc(-c5nn[nH]n5)cn34)C2)cc1 ZINC000826190516 608660303 /nfs/dbraw/zinc/66/03/03/608660303.db2.gz DONIUQHPEAVLQY-OAHLLOKOSA-N 1 0 375.436 2.513 20 0 GFADRO O=C(NC[C@H]1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C1)c1ccccc1 ZINC000826435858 608661828 /nfs/dbraw/zinc/66/18/28/608661828.db2.gz ZNAZEXPEFQPXGE-CQSZACIVSA-N 1 0 382.493 2.570 20 0 GFADRO COc1cc(C[NH+]2CCC(Oc3ccc(-c4nn[nH]n4)cc3)CC2)cc(OC)c1 ZINC000826179319 608680953 /nfs/dbraw/zinc/68/09/53/608680953.db2.gz JFHFXKBZONHFGS-UHFFFAOYSA-N 1 0 395.463 2.927 20 0 GFADRO O=C(CNc1ccc(-c2nn[nH]n2)cc1)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000826413123 608829315 /nfs/dbraw/zinc/82/93/15/608829315.db2.gz RYMNWUGOHOWYTM-UHFFFAOYSA-N 1 0 391.479 2.556 20 0 GFADRO C[C@@H](C(=O)Nc1ccccc1-c1nn[nH]n1)[N@@H+]1CC[C@H](COc2ccccc2)C1 ZINC000824046471 609147121 /nfs/dbraw/zinc/14/71/21/609147121.db2.gz SJDVZNYPKAYXJM-HOTGVXAUSA-N 1 0 392.463 2.595 20 0 GFADRO COc1cc(-c2nn[nH]n2)ccc1OCC[N@@H+]1CC[C@@H](COc2ccccc2)C1 ZINC000826175553 609147609 /nfs/dbraw/zinc/14/76/09/609147609.db2.gz IWGQISKRTUWPIP-MRXNPFEDSA-N 1 0 395.463 2.655 20 0 GFADRO C[C@H]([NH2+][C@H]1C[C@@H](C)N(c2ccccc2)C1=O)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824539523 609151369 /nfs/dbraw/zinc/15/13/69/609151369.db2.gz OFKMZIVMLSSNRP-VBHSOAQHSA-N 1 0 380.427 2.850 20 0 GFADRO Cc1ccc(N2CC[C@H]([NH2+][C@@H](C)c3ccc(-c4nn[nH]n4)c(F)c3)C2=O)cc1 ZINC000826289551 609152390 /nfs/dbraw/zinc/15/23/90/609152390.db2.gz FINOLEBYLFPCDV-UGSOOPFHSA-N 1 0 380.427 2.770 20 0 GFADRO C[C@H](O)[C@H]1CC[N@H+](Cc2cccc(OCc3cccc(-c4nn[nH]n4)c3)c2)C1 ZINC000824689065 609175815 /nfs/dbraw/zinc/17/58/15/609175815.db2.gz JWXUPLFHDZFEFD-KXBFYZLASA-N 1 0 379.464 2.648 20 0 GFADRO CCCC[N@H+](CC)Cc1cccc(CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)c1 ZINC000825282200 609223946 /nfs/dbraw/zinc/22/39/46/609223946.db2.gz QPWAVYNIRPKSMO-UHFFFAOYSA-N 1 0 381.484 2.747 20 0 GFADRO COc1ncc(C)cc1NC1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826222194 609252163 /nfs/dbraw/zinc/25/21/63/609252163.db2.gz NHRHPVKVHFCKKP-UHFFFAOYSA-N 1 0 379.468 2.655 20 0 GFADRO Cc1nn(-c2ccccc2)c(C)c1C[NH2+]CCOc1ccc(-c2nn[nH]n2)cc1 ZINC000826332293 609294447 /nfs/dbraw/zinc/29/44/47/609294447.db2.gz PIIOBMBMJXSQHD-UHFFFAOYSA-N 1 0 389.463 2.838 20 0 GFADRO C[C@H](NC(=O)c1ccc(Cl)c(-c2nn[nH]n2)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000824521272 609317497 /nfs/dbraw/zinc/31/74/97/609317497.db2.gz JLEVDLPCQWVOCF-GXTWGEPZSA-N 1 0 388.903 2.903 20 0 GFADRO C[C@H]([NH2+]C1CCN(Cc2ccncc2)CC1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824555967 609326839 /nfs/dbraw/zinc/32/68/39/609326839.db2.gz YYXBAJLGUKVZMS-AWEZNQCLSA-N 1 0 381.459 2.716 20 0 GFADRO CCC(CC)(CCO)C[NH2+]Cc1cn(C)nc1-c1ccc(-c2nn[nH]n2)cc1 ZINC000825089476 609341173 /nfs/dbraw/zinc/34/11/73/609341173.db2.gz GPBMEOVDYQXDJN-UHFFFAOYSA-N 1 0 383.500 2.546 20 0 GFADRO Cn1cc(C[NH2+]CCC[C@@H]2CCCC[C@@H]2O)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826361936 609343314 /nfs/dbraw/zinc/34/33/14/609343314.db2.gz WQRWIKLVMLIMDT-KXBFYZLASA-N 1 0 395.511 2.688 20 0 GFADRO CSc1cc(C[NH2+]Cc2cn(C)nc2-c2ccc(-c3nn[nH]n3)cc2)ccn1 ZINC000826230170 609344697 /nfs/dbraw/zinc/34/46/97/609344697.db2.gz HURZYBQJBMUQID-UHFFFAOYSA-N 1 0 392.492 2.674 20 0 GFADRO C[C@H]([NH2+]C[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824578766 609345227 /nfs/dbraw/zinc/34/52/27/609345227.db2.gz VULFTYNITIJKAZ-HOCLYGCPSA-N 1 0 394.454 2.705 20 0 GFADRO COc1cccc([C@@H]2[C@H]([NH2+]Cc3ccccc3-c3nn[nH]n3)CCN2C2CC2)c1 ZINC000826215784 609346609 /nfs/dbraw/zinc/34/66/09/609346609.db2.gz YTLGCJNZZGVCIA-NHCUHLMSSA-N 1 0 390.491 2.943 20 0 GFADRO O[C@]12CCCC[C@H]1C[N@H+](Cc1ccc(-c3nn[nH]n3)cc1Br)CC2 ZINC000826506528 609365359 /nfs/dbraw/zinc/36/53/59/609365359.db2.gz WKPKVCURHKWOCE-YOEHRIQHSA-N 1 0 392.301 2.756 20 0 GFADRO Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)n1C[N@H+]1CC[C@]2(CC[C@@H](C)C2)C1 ZINC000826335075 609374051 /nfs/dbraw/zinc/37/40/51/609374051.db2.gz XCVIVJHODIGQMT-VLIAUNLRSA-N 1 0 378.484 2.903 20 0 GFADRO CC[N@@H+]1CC[C@H](CNC(=O)c2ccccc2Oc2ccccc2-c2nn[nH]n2)C1 ZINC000825450518 609375365 /nfs/dbraw/zinc/37/53/65/609375365.db2.gz AIAFHXQVEXNLOP-OAHLLOKOSA-N 1 0 392.463 2.731 20 0 GFADRO CC[N@@H+]1CCCN(C(=O)c2ccccc2Oc2ccccc2-c2nn[nH]n2)CC1 ZINC000825459826 609381587 /nfs/dbraw/zinc/38/15/87/609381587.db2.gz OFVSVIFORVOQCF-UHFFFAOYSA-N 1 0 392.463 2.827 20 0 GFADRO C[C@@H](CC[NH+](C)C)NC(=O)c1ccccc1Oc1ccccc1-c1nn[nH]n1 ZINC000824401229 609383396 /nfs/dbraw/zinc/38/33/96/609383396.db2.gz OFWCQHNEFDHORB-AWEZNQCLSA-N 1 0 380.452 2.729 20 0 GFADRO COc1cc(C)c(C[NH+]2CCC(Oc3cccc(-c4nn[nH]n4)c3)CC2)c(C)n1 ZINC000826178320 609408155 /nfs/dbraw/zinc/40/81/55/609408155.db2.gz SIIBOXAONJGMKW-UHFFFAOYSA-N 1 0 394.479 2.931 20 0 GFADRO C[C@@H](C[NH2+][C@@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O)c1ccccc1 ZINC000824427432 609412258 /nfs/dbraw/zinc/41/22/58/609412258.db2.gz NCWPADBTNPFRLV-HNAYVOBHSA-N 1 0 376.464 2.755 20 0 GFADRO Cc1nc(C)c([C@H](C)[NH2+][C@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)s1 ZINC000826324148 609413550 /nfs/dbraw/zinc/41/35/50/609413550.db2.gz GFSWIGJDTUWBTL-LRDDRELGSA-N 1 0 397.508 2.786 20 0 GFADRO O=C1[C@H]([NH2+][C@H]2CCc3ccc(F)cc32)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826477139 609415721 /nfs/dbraw/zinc/41/57/21/609415721.db2.gz WKGILTPIUIDFPM-RBUKOAKNSA-N 1 0 392.438 2.778 20 0 GFADRO CC[C@H]([NH2+][C@@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O)c1c(C)noc1C ZINC000825139059 609416971 /nfs/dbraw/zinc/41/69/71/609416971.db2.gz AYDLGAKOTJYXMW-DLBZAZTESA-N 1 0 395.467 2.708 20 0 GFADRO OC[C@H]([NH2+]Cc1ccc(-c2nn[nH]n2)cc1Br)C1CCCCC1 ZINC000826508412 609429396 /nfs/dbraw/zinc/42/93/96/609429396.db2.gz OSEHENZJVQDTPL-HNNXBMFYSA-N 1 0 380.290 2.660 20 0 GFADRO OC[C@H]([NH2+]CCOc1ccccc1-c1nn[nH]n1)c1ccc(C(F)(F)F)cc1 ZINC000826508274 609429820 /nfs/dbraw/zinc/42/98/20/609429820.db2.gz KSLKUTFDZDBDMW-HNNXBMFYSA-N 1 0 393.369 2.588 20 0 GFADRO COc1ccc2c(c1)C[C@H](C)[N@@H+](C[C@H](O)c1ccc(-c3nn[nH]n3)cc1)[C@H]2C ZINC000826212271 609430936 /nfs/dbraw/zinc/43/09/36/609430936.db2.gz LHPNFGWAPMOWGW-YRVVQQKDSA-N 1 0 379.464 2.917 20 0 GFADRO Cc1cc(Oc2ccc(-c3nn[nH]n3)cc2)ccc1NC(=O)NCC[NH+](C)C ZINC000826271849 609493363 /nfs/dbraw/zinc/49/33/63/609493363.db2.gz KESOSSANZDBCDB-UHFFFAOYSA-N 1 0 381.440 2.651 20 0 GFADRO Fc1cccc(CCN2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)c1F ZINC000826376615 609514985 /nfs/dbraw/zinc/51/49/85/609514985.db2.gz LBVHEHPGHZEPDI-UHFFFAOYSA-N 1 0 384.434 2.505 20 0 GFADRO C[C@H]1C[C@H](C(=O)N(CC[NH+](C)C)Cc2ccc(-c3nn[nH]n3)cc2)C[C@@H](C)C1 ZINC000824877566 609529960 /nfs/dbraw/zinc/52/99/60/609529960.db2.gz YMWAWGSOTYKFLV-MNZLEMJZSA-N 1 0 384.528 2.829 20 0 GFADRO CCSc1nnc(NC(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)s1 ZINC000532643817 650028996 /nfs/dbraw/zinc/02/89/96/650028996.db2.gz QXOIOOBASZLJTE-OLZOCXBDSA-N 1 0 385.559 2.540 20 0 GFADRO OCCC[N@@H+]1CCC[C@@H]1CNc1ncnc2cc(F)c(Br)cc21 ZINC000514653697 650575797 /nfs/dbraw/zinc/57/57/97/650575797.db2.gz WMGSAORJNPDJPK-LLVKDONJSA-N 1 0 383.265 2.790 20 0 GFADRO CC(=O)N[C@H]1CC[N@H+](C[C@](C)(O)c2ccc(Br)cc2Cl)C1 ZINC000817281230 660188865 /nfs/dbraw/zinc/18/88/65/660188865.db2.gz RZVQYEGIEIPQRP-WFASDCNBSA-N 1 0 375.694 2.520 20 0 GFADRO C[NH+](C)[C@]1(CNC(=O)Nc2cc3ccc(Br)cn3n2)CCSC1 ZINC000482134944 650660501 /nfs/dbraw/zinc/66/05/01/650660501.db2.gz YLHSBMFBJGUVSF-HNNXBMFYSA-N 1 0 398.330 2.656 20 0 GFADRO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)Nc2cc3ccc(Br)cn3n2)C1 ZINC000482200572 650662043 /nfs/dbraw/zinc/66/20/43/650662043.db2.gz OXRVGUNKLGJHSV-RISCZKNCSA-N 1 0 380.290 2.947 20 0 GFADRO O=C(NC[C@H]1CC[N@@H+]1C1CCCC1)Nc1nc2cc(Br)ccn2n1 ZINC000529115132 650701436 /nfs/dbraw/zinc/70/14/36/650701436.db2.gz ONMUMNORRAJRGQ-CYBMUJFWSA-N 1 0 393.289 2.630 20 0 GFADRO C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CCNc1cnccn1 ZINC000532247085 650746938 /nfs/dbraw/zinc/74/69/38/650746938.db2.gz RALSKJJILJDVEQ-LBPRGKRZSA-N 1 0 378.274 2.658 20 0 GFADRO CC(C)S(=O)(=O)CC[N@@H+]1C[C@@H](CNC(=O)OC(C)(C)C)[C@H](C)C[C@@H]1C ZINC000817293350 660189333 /nfs/dbraw/zinc/18/93/33/660189333.db2.gz PQCHODPKMCWXBH-OWCLPIDISA-N 1 0 376.563 2.681 20 0 GFADRO COc1cc([C@H](C)N[C@@H](C[NH3+])C2CCCC2)ccc1S(=O)(=O)C(F)F ZINC000817980421 660212776 /nfs/dbraw/zinc/21/27/76/660212776.db2.gz ASXBRJKVABYGCO-FZMZJTMJSA-N 1 0 376.469 2.860 20 0 GFADRO CC(C)(C(=O)N1CCn2c(Br)cnc2C1)[C@H]([NH3+])c1ccccc1 ZINC000817999839 660213184 /nfs/dbraw/zinc/21/31/84/660213184.db2.gz XUKSYYRRCJDDLL-OAHLLOKOSA-N 1 0 377.286 2.714 20 0 GFADRO [NH3+][C@@H]1CCCO[C@H]1C1CCN(C(=O)[C@H](O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000818011417 660213363 /nfs/dbraw/zinc/21/33/63/660213363.db2.gz ZPWCBYIMRDKKNL-ZACQAIPSSA-N 1 0 387.307 2.772 20 0 GFADRO Cn1c(C(=O)N2CCCO[C@H](C[NH3+])C2)ccc1-c1ccc(Br)cc1 ZINC000818011999 660213698 /nfs/dbraw/zinc/21/36/98/660213698.db2.gz HAAZRZSHNRKIDN-OAHLLOKOSA-N 1 0 392.297 2.644 20 0 GFADRO O=C(c1[nH]nc(-c2ccccc2)c1Br)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000818019022 660213947 /nfs/dbraw/zinc/21/39/47/660213947.db2.gz ZGYIBLKMMIFCHF-KRWDZBQOSA-N 1 0 375.270 2.807 20 0 GFADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CSCC[C@H]2CC2(Cl)Cl)C1 ZINC000818156164 660218149 /nfs/dbraw/zinc/21/81/49/660218149.db2.gz FPBHGZCLJPQVQQ-UONOGXRCSA-N 1 0 383.385 2.777 20 0 GFADRO CCOC(=O)N=c1[nH]c2ccc(NC(=O)C[C@H]3CSCC[NH2+]3)cc2s1 ZINC000818471443 660226894 /nfs/dbraw/zinc/22/68/94/660226894.db2.gz VRUXZQMLDPFBBL-NSHDSACASA-N 1 0 380.495 2.898 20 0 GFADRO [NH3+][C@@H]1CCc2ncc(NC(=O)c3sc(N4CCCC4)nc3Cl)cc2C1 ZINC000818565428 660228740 /nfs/dbraw/zinc/22/87/40/660228740.db2.gz XUNDZIRXYIXOPL-LLVKDONJSA-N 1 0 377.901 2.860 20 0 GFADRO CS(=O)(=O)Cc1cccc(C[NH2+]C[C@@H](O)c2cccc(Br)c2)c1 ZINC000818989673 660241957 /nfs/dbraw/zinc/24/19/57/660241957.db2.gz BTVSIGRJWAUVCF-QGZVFWFLSA-N 1 0 398.322 2.817 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CC[NH2+]C[C@@H](O)c1ccc(F)cn1 ZINC000818990947 660242186 /nfs/dbraw/zinc/24/21/86/660242186.db2.gz UGPKUEPAKUREHC-MRXNPFEDSA-N 1 0 396.260 2.943 20 0 GFADRO COC(=O)COc1cccc(C[NH2+]C[C@@H](O)c2ccccc2Br)c1 ZINC000819075457 660245616 /nfs/dbraw/zinc/24/56/16/660245616.db2.gz KFDIPLWJGSDZQU-QGZVFWFLSA-N 1 0 394.265 2.824 20 0 GFADRO O=C(C[NH2+]C[C@H](O)c1cccc(Br)c1)N1CCc2ccccc2C1 ZINC000819003429 660242912 /nfs/dbraw/zinc/24/29/12/660242912.db2.gz WDOUGIVTRPYKQV-SFHVURJKSA-N 1 0 389.293 2.657 20 0 GFADRO CC(C)(C)OC(=O)CS(=O)(=O)CC[NH2+]CC(C)(C)c1ccccc1Cl ZINC000819012950 660243272 /nfs/dbraw/zinc/24/32/72/660243272.db2.gz MVUUPVKDJAGIBG-UHFFFAOYSA-N 1 0 389.945 2.964 20 0 GFADRO CN(C[C@@H](O)C[NH2+]CCc1ccc(Br)cc1)C(=O)OC(C)(C)C ZINC000819081560 660245829 /nfs/dbraw/zinc/24/58/29/660245829.db2.gz MRYWVTUOEPZIJX-HNNXBMFYSA-N 1 0 387.318 2.809 20 0 GFADRO C[C@H]1COCCN1CC[NH2+]C[C@@](C)(O)c1ccc(Br)cc1Cl ZINC000819017698 660243505 /nfs/dbraw/zinc/24/35/05/660243505.db2.gz KWHLMKGUYPKTFK-BLLLJJGKSA-N 1 0 391.737 2.620 20 0 GFADRO CCS(=O)(=O)CC[NH2+]C[C@@H](c1ccc(Cl)cc1)N1CCOC(C)(C)C1 ZINC000819016483 660243524 /nfs/dbraw/zinc/24/35/24/660243524.db2.gz LYZJTIGUTYTPAG-KRWDZBQOSA-N 1 0 388.961 2.516 20 0 GFADRO CN1CCC[C@@H](C[NH2+]CCS(C)(=O)=O)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000819082908 660245834 /nfs/dbraw/zinc/24/58/34/660245834.db2.gz XOUVGBUYGQPWKW-HOCLYGCPSA-N 1 0 378.460 2.723 20 0 GFADRO CC(C)(C)S(=O)(=O)CC[NH2+]C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000819060343 660244973 /nfs/dbraw/zinc/24/49/73/660244973.db2.gz IENNZSDEXLYFGP-LLVKDONJSA-N 1 0 384.325 2.536 20 0 GFADRO O=C1NCCc2ccc(C[NH2+]C[C@H](O)c3ccc(Br)cc3)cc21 ZINC000819227093 660250949 /nfs/dbraw/zinc/25/09/49/660250949.db2.gz BIYFQWQLJGRCTD-KRWDZBQOSA-N 1 0 375.266 2.558 20 0 GFADRO COCCOC[C@H](C)[NH2+]C[C@](C)(O)c1ccc(Br)cc1Cl ZINC000819103221 660246593 /nfs/dbraw/zinc/24/65/93/660246593.db2.gz FEZWUKPHLOTNJQ-NHYWBVRUSA-N 1 0 380.710 2.951 20 0 GFADRO CN1CCC[C@@H]([NH2+]C[C@](C)(O)c2ccc(Br)cc2Cl)C1=O ZINC000819133802 660247637 /nfs/dbraw/zinc/24/76/37/660247637.db2.gz RPLIMGBLPNGFJB-HIFRSBDPSA-N 1 0 375.694 2.520 20 0 GFADRO O[C@@H](C[NH2+]C[C@@H]1CSCCS1)COc1cc(F)cc(Br)c1 ZINC000819141176 660247844 /nfs/dbraw/zinc/24/78/44/660247844.db2.gz GQQGHQZZHSLJTP-GXTWGEPZSA-N 1 0 396.347 2.766 20 0 GFADRO O=C(C1CCCC1)N1CC[C@H]([NH2+]C[C@@H](O)c2cccc(Br)c2)C1 ZINC000819163915 660248568 /nfs/dbraw/zinc/24/85/68/660248568.db2.gz ODQKFFYQXCURRF-DLBZAZTESA-N 1 0 381.314 2.863 20 0 GFADRO O=C(C1CCCC1)N1CC[C@@H]([NH2+]C[C@H](O)c2ccccc2Br)C1 ZINC000819164102 660248638 /nfs/dbraw/zinc/24/86/38/660248638.db2.gz OWJUTLQVJYYACT-PBHICJAKSA-N 1 0 381.314 2.863 20 0 GFADRO O[C@H](C[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1ccccc1Br ZINC000819175487 660248875 /nfs/dbraw/zinc/24/88/75/660248875.db2.gz YNKIBJGLAHCTSQ-CEXWTWQISA-N 1 0 397.357 2.840 20 0 GFADRO O=C1[C@H]([NH2+]C[C@H](O)c2cccc(Br)c2)CCCN1CC(F)(F)F ZINC000819181938 660249044 /nfs/dbraw/zinc/24/90/44/660249044.db2.gz DVFIEQCJEWFJLX-OLZOCXBDSA-N 1 0 395.219 2.625 20 0 GFADRO C[C@](O)(C[NH2+]CCOc1ncccc1F)c1ccc(Br)cc1F ZINC000819184508 660249445 /nfs/dbraw/zinc/24/94/45/660249445.db2.gz ZSOIRVLJNIZZFV-INIZCTEOSA-N 1 0 387.224 2.998 20 0 GFADRO CC(C)(C)OC(=O)N1CCC([C@@H](O)C[NH2+]CCSCC(F)(F)F)CC1 ZINC000819201000 660250094 /nfs/dbraw/zinc/25/00/94/660250094.db2.gz ZBLSQJYLJSHNFK-ZDUSSCGKSA-N 1 0 386.480 2.880 20 0 GFADRO C[C@H]([NH2+]C[C@H](O)CN(C)C(=O)OC(C)(C)C)c1ccc(Br)cn1 ZINC000819277987 660253348 /nfs/dbraw/zinc/25/33/48/660253348.db2.gz JTPRZWWIIQCMQT-AAEUAGOBSA-N 1 0 388.306 2.723 20 0 GFADRO CCN1CC[C@H]([NH2+]C[C@](C)(O)c2ccc(Br)cc2Cl)C1=O ZINC000819299604 660254184 /nfs/dbraw/zinc/25/41/84/660254184.db2.gz XUUDTBRAEXVJGF-ZFWWWQNUSA-N 1 0 375.694 2.520 20 0 GFADRO COC[C@@](C)(O)CC[NH2+]C[C@@](C)(O)c1ccc(Br)cc1Cl ZINC000819339743 660255712 /nfs/dbraw/zinc/25/57/12/660255712.db2.gz OWJCLWJDJUUMHH-LSDHHAIUSA-N 1 0 380.710 2.687 20 0 GFADRO CS(=O)(=O)c1ccccc1C[NH2+]C[C@@H](O)c1ccc(Br)cc1 ZINC000819369504 660257139 /nfs/dbraw/zinc/25/71/39/660257139.db2.gz XJGCLNWPJOEAHJ-OAHLLOKOSA-N 1 0 384.295 2.676 20 0 GFADRO CC(C)(C[NH2+]C[C@@H](O)c1ccc(F)c(Br)c1)C1(O)CCOCC1 ZINC000819372767 660257368 /nfs/dbraw/zinc/25/73/68/660257368.db2.gz COGKHQRRLFGOSN-OAHLLOKOSA-N 1 0 390.293 2.779 20 0 GFADRO Cc1nc(SC(F)(F)F)sc1CC(=O)N1CCC[C@](O)(C[NH+](C)C)C1 ZINC000819525473 660261637 /nfs/dbraw/zinc/26/16/37/660261637.db2.gz GNLSNIOJSKETFK-AWEZNQCLSA-N 1 0 397.488 2.521 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C(=O)NOC1CC[NH+](C)CC1 ZINC000819692218 660267375 /nfs/dbraw/zinc/26/73/75/660267375.db2.gz KQXIPGYZKQHYMC-UHFFFAOYSA-N 1 0 393.285 2.699 20 0 GFADRO C[N@@H+]1CCC[C@]2(CCN(C(=O)c3nc(Br)c4ccccn43)C2)C1 ZINC000820607866 660299055 /nfs/dbraw/zinc/29/90/55/660299055.db2.gz AMMKMEYFSLAHRP-KRWDZBQOSA-N 1 0 377.286 2.655 20 0 GFADRO C[NH+](C)C[C@@](C)(O)CNc1ncc(I)c2ccccc21 ZINC000820680630 660302607 /nfs/dbraw/zinc/30/26/07/660302607.db2.gz CRAVIDDIHZKIMD-HNNXBMFYSA-N 1 0 385.249 2.564 20 0 GFADRO Clc1ccc(Br)c(CN2CCN(CC[NH+]3CCCC3)CC2)n1 ZINC000820850615 660308264 /nfs/dbraw/zinc/30/82/64/660308264.db2.gz FVUVACRRYYYIEA-UHFFFAOYSA-N 1 0 387.753 2.711 20 0 GFADRO C[C@@H]1CN(C(=O)c2ccc3c(Br)cnn3c2)CC[N@@H+](C2CC2)C1 ZINC000820873539 660309082 /nfs/dbraw/zinc/30/90/82/660309082.db2.gz DQAWHNNPNOQYOQ-LBPRGKRZSA-N 1 0 377.286 2.653 20 0 GFADRO CC(C)[C@H]([NH2+]Cc1ccc(S(=O)(=O)C(F)F)cc1)[C@H](O)C(F)(F)F ZINC000821259081 660319613 /nfs/dbraw/zinc/31/96/13/660319613.db2.gz HRYUWIQIYYQBSS-RYUDHWBXSA-N 1 0 375.359 2.720 20 0 GFADRO C[N@@H+]1CC[C@H](NC(=O)c2cc(N)nc(Br)c2)[C@H]1c1ccccc1 ZINC000821365659 660323132 /nfs/dbraw/zinc/32/31/32/660323132.db2.gz NHXYZKUOYHPNKK-XJKSGUPXSA-N 1 0 375.270 2.602 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)c1sccc1-c1nn[nH]n1)c1ccc(Cl)cc1 ZINC000821579504 660329567 /nfs/dbraw/zinc/32/95/67/660329567.db2.gz CZWCYQVRNUVGOH-ZDUSSCGKSA-N 1 0 376.873 2.614 20 0 GFADRO Cn1cc(Br)c(C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)cc1=O ZINC000821737445 660332481 /nfs/dbraw/zinc/33/24/81/660332481.db2.gz QNIVUBNOJDWLQQ-INIZCTEOSA-N 1 0 390.281 2.949 20 0 GFADRO Cn1cc(Br)c(C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)cc1=O ZINC000821737447 660332493 /nfs/dbraw/zinc/33/24/93/660332493.db2.gz QNIVUBNOJDWLQQ-MRXNPFEDSA-N 1 0 390.281 2.949 20 0 GFADRO C[C@]1(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)CC1(Br)Br ZINC000822155447 660341123 /nfs/dbraw/zinc/34/11/23/660341123.db2.gz JLOGCLHOCFADPQ-JBLDHEPKSA-N 1 0 380.124 2.626 20 0 GFADRO Cn1c(C(=O)NCCCC[N@H+](C)C2CC2)cc2cc(Br)cnc21 ZINC000822271916 660342396 /nfs/dbraw/zinc/34/23/96/660342396.db2.gz DREHMGFCDVXCPT-UHFFFAOYSA-N 1 0 379.302 2.940 20 0 GFADRO COCCNC(=O)[C@H]1CC[C@H](C)[N@H+](C[C@@H](O)c2ccc(Cl)cc2Cl)C1 ZINC000822587438 660348883 /nfs/dbraw/zinc/34/88/83/660348883.db2.gz CSOQNYVWBXWIKJ-GDZNZVCISA-N 1 0 389.323 2.890 20 0 GFADRO CS(=O)(=O)N(CC(F)(F)F)C1CC[NH+](CC[C@H]2CC2(Cl)Cl)CC1 ZINC000822621088 660350210 /nfs/dbraw/zinc/35/02/10/660350210.db2.gz FCHBXFOCUCRXRF-JTQLQIEISA-N 1 0 397.290 2.859 20 0 GFADRO CS(=O)(=O)C1(c2nc(-c3ccc(Cl)c(Cl)c3)no2)CC[NH2+]CC1 ZINC000822650464 660350844 /nfs/dbraw/zinc/35/08/44/660350844.db2.gz SKIXFPHGTPXZOK-UHFFFAOYSA-N 1 0 376.265 2.667 20 0 GFADRO C[C@H](CNC(=O)c1ccc(C(F)(F)Br)nc1)C[NH+]1CCCC1 ZINC000822693061 660351973 /nfs/dbraw/zinc/35/19/73/660351973.db2.gz OVZXIULJTGLYKQ-LLVKDONJSA-N 1 0 376.245 2.988 20 0 GFADRO Cc1cnc(Br)cc1NC(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000822737994 660353345 /nfs/dbraw/zinc/35/33/45/660353345.db2.gz YVMQUNOGFFRLOF-CYBMUJFWSA-N 1 0 383.290 2.527 20 0 GFADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)C(F)(F)c1ccccc1Br ZINC000822880206 660356580 /nfs/dbraw/zinc/35/65/80/660356580.db2.gz ZLLMEPJDPSUYBS-NWDGAFQWSA-N 1 0 389.240 2.520 20 0 GFADRO CCCOc1ccc(Br)cc1-c1noc(C[C@H]2COCC[NH2+]2)n1 ZINC000822942109 660358575 /nfs/dbraw/zinc/35/85/75/660358575.db2.gz RDKHJMWTZUXLNI-LBPRGKRZSA-N 1 0 382.258 2.819 20 0 GFADRO C[C@H]1[NH2+]CC[C@H]1c1nc(Cc2cc(Br)c3c(c2)OCCO3)no1 ZINC000822947317 660358713 /nfs/dbraw/zinc/35/87/13/660358713.db2.gz QSKRAPNIWQZJOO-MWLCHTKSSA-N 1 0 380.242 2.660 20 0 GFADRO C[C@@H](c1noc(-c2cn(CCC[NH3+])nn2)n1)c1ccc(Br)cc1 ZINC000822996367 660359621 /nfs/dbraw/zinc/35/96/21/660359621.db2.gz LJNWSKIIMATWPR-SNVBAGLBSA-N 1 0 377.246 2.591 20 0 GFADRO Cc1nn(C)c(Cl)c1Cc1noc(C[C@@H]([NH3+])c2cc(C)nc(Cl)c2)n1 ZINC000823146247 660363099 /nfs/dbraw/zinc/36/30/99/660363099.db2.gz NFICUELTIBGIQM-GFCCVEGCSA-N 1 0 381.267 2.955 20 0 GFADRO CC(=O)c1cc(S(=O)(=O)N2CCCC[C@@H]2CC[NH3+])ccc1Br ZINC000842859503 661357570 /nfs/dbraw/zinc/35/75/70/661357570.db2.gz IYWSGWYRPNCYAN-GFCCVEGCSA-N 1 0 389.315 2.544 20 0 GFADRO [NH3+]CCCCn1cc(-c2nc(-c3cc(Br)ccc3F)no2)nn1 ZINC000823247140 660366184 /nfs/dbraw/zinc/36/61/84/660366184.db2.gz BIALZMDPRGHLTM-UHFFFAOYSA-N 1 0 381.209 2.636 20 0 GFADRO Cn1ccnc1[C@@](O)(C[NH2+]Cc1cc(F)cc(Br)c1)C(F)(F)F ZINC000824091375 660385157 /nfs/dbraw/zinc/38/51/57/660385157.db2.gz IUEMOVCYFRPPMF-ZDUSSCGKSA-N 1 0 396.182 2.861 20 0 GFADRO CC[NH+]1CCN(c2ccccc2NC(=O)c2cc(Br)n(C)n2)CC1 ZINC000824232282 660387666 /nfs/dbraw/zinc/38/76/66/660387666.db2.gz XVZDZYMJWYHZEX-UHFFFAOYSA-N 1 0 392.301 2.577 20 0 GFADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+]C[C@@H]1CCC=CO1 ZINC000824231032 660387700 /nfs/dbraw/zinc/38/77/00/660387700.db2.gz HZGCFADSZCZZPF-DOMZBBRYSA-N 1 0 383.286 2.745 20 0 GFADRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)[C@@]2(C)CC2(Br)Br)C1 ZINC000824295957 660389377 /nfs/dbraw/zinc/38/93/77/660389377.db2.gz UTXKFMBFRHXHRR-CMPLNLGQSA-N 1 0 382.140 2.729 20 0 GFADRO C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)c1cc(Br)n[nH]1 ZINC000824380589 660391060 /nfs/dbraw/zinc/39/10/60/660391060.db2.gz QVEZWZVHSOFJGG-UHFFFAOYSA-N 1 0 387.228 2.654 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)C[C@H]1C(=O)Nc2ccc(Br)cc21 ZINC000824658682 660398798 /nfs/dbraw/zinc/39/87/98/660398798.db2.gz NWSPNPAKNLOAGG-GXTWGEPZSA-N 1 0 394.313 2.864 20 0 GFADRO Cc1nc(SCC(C)C)sc1CC(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000824734571 660400196 /nfs/dbraw/zinc/40/01/96/660400196.db2.gz ZQLDTWMPMHGOAN-HUUCEWRRSA-N 1 0 383.583 2.722 20 0 GFADRO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]C[C@@H]1CCCC1(F)F ZINC000824799141 660402356 /nfs/dbraw/zinc/40/23/56/660402356.db2.gz KXBSSYHCVVYBKR-RYUDHWBXSA-N 1 0 381.876 2.730 20 0 GFADRO Cc1ccc([C@H](CNC(=O)c2cc(Br)n(C)n2)[NH+]2CCCC2)o1 ZINC000825582177 660434165 /nfs/dbraw/zinc/43/41/65/660434165.db2.gz XTBZYIIJNJJWIZ-ZDUSSCGKSA-N 1 0 381.274 2.651 20 0 GFADRO Cc1cc(C(=O)N[C@@H]2C[C@@H](N3CCOCC3)C23CCC3)cnc1Br ZINC000825647299 660436131 /nfs/dbraw/zinc/43/61/31/660436131.db2.gz JHXZPCGNTULNSU-HUUCEWRRSA-N 1 0 394.313 2.526 20 0 GFADRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2sc(N(C)C)nc2Cl)[C@H](C)C1 ZINC000825874226 660444547 /nfs/dbraw/zinc/44/45/47/660444547.db2.gz WIDGVXPCEDTIEN-CHWSQXEVSA-N 1 0 388.965 2.729 20 0 GFADRO O=C(c1c(Br)nc2n1CCC2)N1CCC(C[NH+]2CCCC2)CC1 ZINC000825888311 660444866 /nfs/dbraw/zinc/44/48/66/660444866.db2.gz WDSPHMAYZNTIDH-UHFFFAOYSA-N 1 0 381.318 2.540 20 0 GFADRO C[NH+]1CCC2(CCN2C(=O)c2ccn(-c3ccc(Br)cc3)n2)CC1 ZINC000826068101 660448839 /nfs/dbraw/zinc/44/88/39/660448839.db2.gz CDQOLIMHADCCCZ-UHFFFAOYSA-N 1 0 389.297 2.945 20 0 GFADRO CN(C[C@@H](O)c1ccccc1Br)c1nc(N)[nH+]c2c1CCCC2 ZINC000826120724 660450167 /nfs/dbraw/zinc/45/01/67/660450167.db2.gz AUSZNLZRBDUAFF-OAHLLOKOSA-N 1 0 377.286 2.870 20 0 GFADRO Cc1cccc(CN2CCO[C@@H](CNC(=O)c3ccoc3Br)C2)c1 ZINC000826555434 660456864 /nfs/dbraw/zinc/45/68/64/660456864.db2.gz BQCGKRZBXJLDFL-HNNXBMFYSA-N 1 0 393.281 2.981 20 0 GFADRO CC(C)OC[C@@H](O)C[N@@H+]1CC[C@@]2(C)[C@@H](C1)C2(Br)Br ZINC000852335667 661860983 /nfs/dbraw/zinc/86/09/83/661860983.db2.gz JYEGNKMPEODDNB-TUAOUCFPSA-N 1 0 385.140 2.600 20 0 GFADRO Cc1cc(C(F)(F)C(=O)N2CCO[C@H](CCC[NH+](C)C)C2)cnc1Cl ZINC000826695126 660461696 /nfs/dbraw/zinc/46/16/96/660461696.db2.gz MDQMPOCKMOMILO-CQSZACIVSA-N 1 0 375.847 2.704 20 0 GFADRO C[C@H](C(=O)N1CC[C@@H]([NH+]2CCC2)C1)c1ccc(I)cc1 ZINC000826950350 660472757 /nfs/dbraw/zinc/47/27/57/660472757.db2.gz PIJVFTMDHVGLOB-SWLSCSKDSA-N 1 0 384.261 2.701 20 0 GFADRO O=C(NC[C@@H]1CC[N@@H+]1C1CCCCC1)c1cc(Br)cn2ncnc12 ZINC000827078252 660477939 /nfs/dbraw/zinc/47/79/39/660477939.db2.gz LHDIYAFPPFGNBU-AWEZNQCLSA-N 1 0 392.301 2.629 20 0 GFADRO O=C(c1c(Br)nc2n1CCC2)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000827149063 660481356 /nfs/dbraw/zinc/48/13/56/660481356.db2.gz UTRFYBQKMFRTLK-OCCSQVGLSA-N 1 0 393.329 2.681 20 0 GFADRO CS(=O)(=O)c1cc(C(=O)NCCCCC[NH+]2CCCCC2)c(Cl)cn1 ZINC000827229789 660485405 /nfs/dbraw/zinc/48/54/05/660485405.db2.gz NRIRXHDQPRJXOV-UHFFFAOYSA-N 1 0 387.933 2.525 20 0 GFADRO C[N@@H+]1CC[C@@H](NC(=O)c2c(Br)nc3n2CCC3)[C@H]1c1ccccc1 ZINC000827451583 660496527 /nfs/dbraw/zinc/49/65/27/660496527.db2.gz ITDXYTIRGNWSNE-UKRRQHHQSA-N 1 0 389.297 2.767 20 0 GFADRO CC(C)[C@@H](CNC(=O)c1cc2sccc2nc1Cl)N1CC[NH+](C)CC1 ZINC000827488757 660499545 /nfs/dbraw/zinc/49/95/45/660499545.db2.gz KFCQUZDSGLNEEK-OAHLLOKOSA-N 1 0 380.945 2.952 20 0 GFADRO Cc1c(Br)cncc1C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000827494953 660499588 /nfs/dbraw/zinc/49/95/88/660499588.db2.gz QUOXQCBOKARJNI-AWEZNQCLSA-N 1 0 382.302 2.526 20 0 GFADRO C[NH+]1C[C@]2(C)CN(C(=O)c3nc(Br)c4ccccn43)C[C@@]2(C)C1 ZINC000827598513 660503984 /nfs/dbraw/zinc/50/39/84/660503984.db2.gz RQPNYSCATZBCOE-IAGOWNOFSA-N 1 0 377.286 2.511 20 0 GFADRO C[N@@H+]1C[C@@]2(C)CN(C(=O)c3nc(Br)c4ccccn43)C[C@@]2(C)C1 ZINC000827598512 660504052 /nfs/dbraw/zinc/50/40/52/660504052.db2.gz RQPNYSCATZBCOE-CALCHBBNSA-N 1 0 377.286 2.511 20 0 GFADRO CC(C)OC(=O)C1(C(=O)OC(C)C)CC([NH2+]CCC2SCCS2)C1 ZINC000827668697 660508258 /nfs/dbraw/zinc/50/82/58/660508258.db2.gz OTYAZNFAXMAZLF-UHFFFAOYSA-N 1 0 375.556 2.824 20 0 GFADRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)c1csc(I)n1 ZINC000827650843 660507335 /nfs/dbraw/zinc/50/73/35/660507335.db2.gz WCASJCGMTXMMRX-JTQLQIEISA-N 1 0 393.294 2.742 20 0 GFADRO CCOC(=O)c1nc(NC[C@@]2([NH+](C)C)CCSC2)ccc1Br ZINC000603303866 651478734 /nfs/dbraw/zinc/47/87/34/651478734.db2.gz JKKSYEKNQNEVSY-HNNXBMFYSA-N 1 0 388.331 2.870 20 0 GFADRO Cc1ccc2[nH]c(C(=O)N3CCC(O)(C[NH+](C)C)CC3)cc2c1Br ZINC000828196129 660539124 /nfs/dbraw/zinc/53/91/24/660539124.db2.gz NLGPEQFQCGELMB-UHFFFAOYSA-N 1 0 394.313 2.768 20 0 GFADRO [NH3+][C@H](CC(=O)NCC1(c2ccc(Br)cc2)CCOCC1)C1CC1 ZINC000828222329 660540087 /nfs/dbraw/zinc/54/00/87/660540087.db2.gz WLNBNDXUNKUONN-MRXNPFEDSA-N 1 0 381.314 2.741 20 0 GFADRO CC(C)[NH+]1CCC(CCNC(=O)c2cc(Br)cn3ncnc23)CC1 ZINC000828234531 660540866 /nfs/dbraw/zinc/54/08/66/660540866.db2.gz VAFUWXVWHHLAPV-UHFFFAOYSA-N 1 0 394.317 2.732 20 0 GFADRO CN1CC[NH+](CC2(C)CCN(C(=O)C[C@]3(C)CC3(Cl)Cl)CC2)CC1 ZINC000828384764 660546020 /nfs/dbraw/zinc/54/60/20/660546020.db2.gz QRMKVCJFOCGOGX-QGZVFWFLSA-N 1 0 376.372 2.837 20 0 GFADRO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)c1cnnn1-c1cccc(Cl)c1Cl ZINC000828959396 660576827 /nfs/dbraw/zinc/57/68/27/660576827.db2.gz NBMSLQRZKKSCEI-CHWSQXEVSA-N 1 0 380.279 2.883 20 0 GFADRO Cc1cc(C(=O)N(C)CC[NH+]2CC3(C2)CCOCC3)ccc1Br ZINC000829256883 660586519 /nfs/dbraw/zinc/58/65/19/660586519.db2.gz DFQQRMPXBUXTIE-UHFFFAOYSA-N 1 0 381.314 2.942 20 0 GFADRO COc1cc(Br)ccc1C(=O)N(C)CC[NH+]1CC2(C1)CCOCC2 ZINC000829272090 660587076 /nfs/dbraw/zinc/58/70/76/660587076.db2.gz FBLFXGIRPUTTEK-UHFFFAOYSA-N 1 0 397.313 2.642 20 0 GFADRO CN(CC[NH+]1CC2(C1)CCOCC2)C(=O)c1cc(F)cc(Br)c1 ZINC000829280487 660587448 /nfs/dbraw/zinc/58/74/48/660587448.db2.gz LCCHWNRWQBNFNI-UHFFFAOYSA-N 1 0 385.277 2.773 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)c2cc(Br)cc3c2OCCO3)C1 ZINC000829705773 660608515 /nfs/dbraw/zinc/60/85/15/660608515.db2.gz TWVBRVGVOMDUGO-QWHCGFSZSA-N 1 0 383.286 2.823 20 0 GFADRO Cc1cc(C(=O)N2CCN(c3cc[nH+]cc3)C[C@@H]2C)cnc1Br ZINC000829792190 660614507 /nfs/dbraw/zinc/61/45/07/660614507.db2.gz SFILVQHKWVBUIN-ZDUSSCGKSA-N 1 0 375.270 2.898 20 0 GFADRO C[C@@H](CNS(=O)(=O)c1cnc(Cl)c(Br)c1)[NH+]1CCCCC1 ZINC000830134892 660637698 /nfs/dbraw/zinc/63/76/98/660637698.db2.gz ZZBKRXPDWPMEIA-JTQLQIEISA-N 1 0 396.738 2.650 20 0 GFADRO CC[C@@H](C(=O)NCc1cc(Br)cc(Br)c1N)[NH+](C)C ZINC000830247097 660644927 /nfs/dbraw/zinc/64/49/27/660644927.db2.gz OJJQQWIDCMTWPO-NSHDSACASA-N 1 0 393.123 2.750 20 0 GFADRO Cc1nc(Br)sc1C(=O)N1CC[C@H](OCC[NH+]2CCCC2)C1 ZINC000830278976 660646823 /nfs/dbraw/zinc/64/68/23/660646823.db2.gz RLIXVMWJIYIVIU-LBPRGKRZSA-N 1 0 388.331 2.541 20 0 GFADRO O=C(N[C@@H]1CC12CC[NH2+]CC2)N1CCO[C@H](c2ccccc2Br)C1 ZINC000831172778 660701999 /nfs/dbraw/zinc/70/19/99/660701999.db2.gz LZDXJVIBGHRDEI-JKSUJKDBSA-N 1 0 394.313 2.674 20 0 GFADRO Cc1cc([C@H]([NH3+])CC(=O)Nc2cc(Br)c(=O)n(C)c2)cc(Cl)n1 ZINC000831196416 660703125 /nfs/dbraw/zinc/70/31/25/660703125.db2.gz BQMXSHATOIIQGP-GFCCVEGCSA-N 1 0 399.676 2.533 20 0 GFADRO [NH3+][C@@H](CC(=O)N[C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1)C1CC1 ZINC000831236083 660704908 /nfs/dbraw/zinc/70/49/08/660704908.db2.gz SQEAEDRATOIDDC-YPMHNXCESA-N 1 0 376.810 2.576 20 0 GFADRO Cc1cc([C@@H]([NH3+])CC(=O)N2CCN(CC(F)(F)F)[C@H](C)C2)cc(Cl)n1 ZINC000831480309 660711214 /nfs/dbraw/zinc/71/12/14/660711214.db2.gz CRLHDYGCHXZMPM-YPMHNXCESA-N 1 0 378.826 2.528 20 0 GFADRO COc1ccc([C@@H](C[NH+](C)C)NC(=O)c2sc(N(C)C)nc2Cl)cc1 ZINC000831572321 660713329 /nfs/dbraw/zinc/71/33/29/660713329.db2.gz UOOHCFCWNMHSEW-CYBMUJFWSA-N 1 0 382.917 2.904 20 0 GFADRO CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)[C@]1(F)CC[NH2+]C1 ZINC000831774238 660726082 /nfs/dbraw/zinc/72/60/82/660726082.db2.gz HFGSVOMZXWHCJR-INIZCTEOSA-N 1 0 376.259 2.872 20 0 GFADRO CCN(C(=O)c1cc(Br)n[nH]1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000832191068 660761823 /nfs/dbraw/zinc/76/18/23/660761823.db2.gz QNUCTAXOPWMLPK-CQSZACIVSA-N 1 0 377.286 2.909 20 0 GFADRO C[NH+](C)CCCC(C)(C)NS(=O)(=O)c1cnc(Cl)c(Br)c1 ZINC000832298717 660772081 /nfs/dbraw/zinc/77/20/81/660772081.db2.gz RKMRCBLOINIGPO-UHFFFAOYSA-N 1 0 398.754 2.896 20 0 GFADRO CN(CC1([NH+](C)C)CCC1)C(=O)[C@]1(C)CC1(Br)Br ZINC000832716810 660796992 /nfs/dbraw/zinc/79/69/92/660796992.db2.gz UJSQQXDLIKZMPB-NSHDSACASA-N 1 0 382.140 2.825 20 0 GFADRO CCCN(CCC[NH+](C)C)C(=O)c1csc(I)n1 ZINC000832826907 660802400 /nfs/dbraw/zinc/80/24/00/660802400.db2.gz DBIQSVBOXOOLCN-UHFFFAOYSA-N 1 0 381.283 2.552 20 0 GFADRO O=C(NC[C@@H]1CCCC[N@H+]1CCO)C(F)(F)c1ccccc1Br ZINC000833553890 660808509 /nfs/dbraw/zinc/80/85/09/660808509.db2.gz XBEYBGDWUXHSNS-LBPRGKRZSA-N 1 0 391.256 2.504 20 0 GFADRO CC1([NH+]2CCC2)CCC(NC(=O)COc2ccc(Br)cn2)CC1 ZINC000834767676 660832583 /nfs/dbraw/zinc/83/25/83/660832583.db2.gz DWAQJEIEUACLEK-UHFFFAOYSA-N 1 0 382.302 2.746 20 0 GFADRO [NH3+]CC[C@@H](NC(=O)c1csc(COc2ccc(F)cc2)n1)C(F)(F)F ZINC000834862315 660835562 /nfs/dbraw/zinc/83/55/62/660835562.db2.gz RRLODISMCPENFC-GFCCVEGCSA-N 1 0 377.363 2.871 20 0 GFADRO C[C@@H]([NH2+]CCS(=O)(=O)C1CCOCC1)c1cc(Cl)c(N)c(Cl)c1 ZINC000834889862 660837148 /nfs/dbraw/zinc/83/71/48/660837148.db2.gz KKSCXCPHHZRJDS-SNVBAGLBSA-N 1 0 381.325 2.820 20 0 GFADRO C[C@@H](CC[S@](C)=O)[NH2+]Cc1nc2c(s1)CN(C(=O)OC(C)(C)C)CC2 ZINC000835043139 660839239 /nfs/dbraw/zinc/83/92/39/660839239.db2.gz NHGPXGHNLZGAFV-VDBVYFBLSA-N 1 0 387.571 2.683 20 0 GFADRO CC[NH2+][C@H](C)CNC(=O)c1cnn(-c2ncccc2Cl)c1C(F)(F)Cl ZINC000834690969 660830309 /nfs/dbraw/zinc/83/03/09/660830309.db2.gz GEKLITRXQHGBAY-SECBINFHSA-N 1 0 392.237 2.937 20 0 GFADRO Cc1cc(Br)nc(NC(=O)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)c1 ZINC000835131527 660841800 /nfs/dbraw/zinc/84/18/00/660841800.db2.gz DYBQRGJRVLEZEN-LBPRGKRZSA-N 1 0 399.333 2.574 20 0 GFADRO C[C@H](CNC(=O)NC[C@@H](O)c1ccccc1Br)C[NH+]1CCCC1 ZINC000836344431 660900779 /nfs/dbraw/zinc/90/07/79/660900779.db2.gz WKRHXTXUFLFROC-CZUORRHYSA-N 1 0 384.318 2.514 20 0 GFADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000836543330 660915021 /nfs/dbraw/zinc/91/50/21/660915021.db2.gz VLKUACYFJOTVAX-LUKYLMHMSA-N 1 0 379.298 2.532 20 0 GFADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NCC[C@]1(C)CC1(Cl)Cl ZINC000836624898 660922535 /nfs/dbraw/zinc/92/25/35/660922535.db2.gz SUMBNKIBJADCRP-CZUORRHYSA-N 1 0 378.344 2.855 20 0 GFADRO Cc1c(Br)nccc1NC(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000836680800 660927720 /nfs/dbraw/zinc/92/77/20/660927720.db2.gz XYUAESIPJDBNFT-LBPRGKRZSA-N 1 0 385.306 2.775 20 0 GFADRO C[NH+](C)CCn1nccc1NC(=O)NCCSCc1ccnc(Cl)c1 ZINC000836699186 660933137 /nfs/dbraw/zinc/93/31/37/660933137.db2.gz FMBLITXDMSGQBB-UHFFFAOYSA-N 1 0 382.921 2.548 20 0 GFADRO C[NH+](C)CCCC(C)(C)NC(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000836856269 660950259 /nfs/dbraw/zinc/95/02/59/660950259.db2.gz KSNTVISNOULDEW-UHFFFAOYSA-N 1 0 380.432 2.830 20 0 GFADRO C[C@H]1CCCC[N@@H+]1CCCNC(=O)CNC(=O)c1ccc(Br)cc1 ZINC000008351247 654483297 /nfs/dbraw/zinc/48/32/97/654483297.db2.gz ZELDHGLXFLVALS-AWEZNQCLSA-N 1 0 396.329 2.560 20 0 GFADRO CCS(=O)(=O)N1CCC([NH2+][C@H](C)c2ccccc2Br)CC1 ZINC000021809246 654529899 /nfs/dbraw/zinc/52/98/99/654529899.db2.gz GRQXUHLEKNEQHN-GFCCVEGCSA-N 1 0 375.332 2.914 20 0 GFADRO CC[C@@H]1C[N@H+](CC)CCN1C(=O)COc1ccc(C=O)cc1Br ZINC000836947370 660958385 /nfs/dbraw/zinc/95/83/85/660958385.db2.gz HPHWRISPRDWIHT-CQSZACIVSA-N 1 0 383.286 2.583 20 0 GFADRO Cc1c(Br)cccc1C[C@H](CO)CNC(=O)C1([NH+](C)C)CCC1 ZINC000837064337 660968394 /nfs/dbraw/zinc/96/83/94/660968394.db2.gz IIWMRUXROZARNG-AWEZNQCLSA-N 1 0 383.330 2.509 20 0 GFADRO CC[NH+](CC)[C@H](CNS(=O)(=O)c1ccc(Cl)nc1)Cc1ccccc1 ZINC000032434744 654602810 /nfs/dbraw/zinc/60/28/10/654602810.db2.gz VUCZPIDCESBFBE-INIZCTEOSA-N 1 0 381.929 2.966 20 0 GFADRO CCNC(=S)C(C(=O)c1ccc(Br)cc1)[n+]1cccc(CO)c1 ZINC000036280979 654612175 /nfs/dbraw/zinc/61/21/75/654612175.db2.gz VTONXTXCBUMWHP-UHFFFAOYSA-O 1 0 394.314 2.777 20 0 GFADRO CCCS(=O)(=O)N1CCC([NH2+]Cc2ccc(Br)s2)CC1 ZINC000037142932 654614093 /nfs/dbraw/zinc/61/40/93/654614093.db2.gz CFQDHAGXDWCBBH-UHFFFAOYSA-N 1 0 381.361 2.804 20 0 GFADRO O=S(=O)(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCC[NH2+]CC1 ZINC000039650459 654619498 /nfs/dbraw/zinc/61/94/98/654619498.db2.gz FNOQMNDATQAUOJ-UHFFFAOYSA-N 1 0 376.322 2.708 20 0 GFADRO C[C@@H](CNS(=O)(=O)c1cc(Br)cnc1Cl)[NH+]1CCCCC1 ZINC000041066449 654622386 /nfs/dbraw/zinc/62/23/86/654622386.db2.gz LHQWNRYITVCFGB-JTQLQIEISA-N 1 0 396.738 2.650 20 0 GFADRO Cc1ccc(NC(=O)C(=O)NC2CC[NH+](CC(C)C)CC2)c(Br)c1 ZINC000041277587 654625294 /nfs/dbraw/zinc/62/52/94/654625294.db2.gz HUAAKUNWVXBCIH-UHFFFAOYSA-N 1 0 396.329 2.933 20 0 GFADRO COc1ccc(S(=O)(=O)NCC2([NH+](C)C)CCCC2)cc1Br ZINC000041630803 654628510 /nfs/dbraw/zinc/62/85/10/654628510.db2.gz JNRZIGPDLXFODC-UHFFFAOYSA-N 1 0 391.331 2.610 20 0 GFADRO Cc1ccc(NC(=O)C(=O)NCC[N@H+]2CCC[C@@H](C)C2)c(Br)c1 ZINC000041669540 654629416 /nfs/dbraw/zinc/62/94/16/654629416.db2.gz URZXJHLYNZDUQY-CYBMUJFWSA-N 1 0 382.302 2.544 20 0 GFADRO Cc1csc([C@@](O)(CC(=O)NCCCC[N@@H+](C)C2CC2)C(F)(F)F)n1 ZINC000837224235 660979712 /nfs/dbraw/zinc/97/97/12/660979712.db2.gz CLXNKQGSPOYPMC-HNNXBMFYSA-N 1 0 379.448 2.582 20 0 GFADRO FC(F)(F)Oc1ccc(NC(=S)NCCCC[NH+]2CCOCC2)cc1 ZINC000044151302 654654355 /nfs/dbraw/zinc/65/43/55/654654355.db2.gz JCTBMLLBGVDYDZ-UHFFFAOYSA-N 1 0 377.432 2.984 20 0 GFADRO CC[NH+](CC)CCCNC(=O)N(C)C[C@@H](O)c1ccccc1Br ZINC000837325492 660986769 /nfs/dbraw/zinc/98/67/69/660986769.db2.gz BHROGAHKHWTLQL-MRXNPFEDSA-N 1 0 386.334 2.856 20 0 GFADRO CCN1CC[NH+](CCCCNC(=O)c2cc(F)cc(Br)c2)CC1 ZINC000046783039 654685469 /nfs/dbraw/zinc/68/54/69/654685469.db2.gz HSXPLIZHQSQWLA-UHFFFAOYSA-N 1 0 386.309 2.736 20 0 GFADRO COc1cc(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)cc(OC)c1Br ZINC000046996721 654688607 /nfs/dbraw/zinc/68/86/07/654688607.db2.gz LSTMWCUMXOCDMY-QWHCGFSZSA-N 1 0 383.286 2.823 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH2+]CC(=O)NC(C)C ZINC000048709480 654711889 /nfs/dbraw/zinc/71/18/89/654711889.db2.gz HJMFURVKBZWRKJ-UHFFFAOYSA-N 1 0 379.302 2.866 20 0 GFADRO CC1CC[NH+]([C@@H](CNC(=O)NC[C@@H](O)C(F)(F)F)c2cccs2)CC1 ZINC000048740546 654712207 /nfs/dbraw/zinc/71/22/07/654712207.db2.gz AXXFOZODIRYAKF-GXTWGEPZSA-N 1 0 379.448 2.744 20 0 GFADRO O=C(NC[C@@H](O)C(F)(F)F)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000048740690 654712571 /nfs/dbraw/zinc/71/25/71/654712571.db2.gz CGCGOCQDHLVSQO-ZIAGYGMSSA-N 1 0 379.810 2.699 20 0 GFADRO CCCC[N@H+](CCO)CC(=O)Nc1ccc(I)cc1C ZINC000049800224 654716158 /nfs/dbraw/zinc/71/61/58/654716158.db2.gz KWVSMCMPOQOOIC-UHFFFAOYSA-N 1 0 390.265 2.633 20 0 GFADRO CC[NH+](CC)CCCNC(=O)COc1ccc(I)cc1 ZINC000049934547 654716566 /nfs/dbraw/zinc/71/65/66/654716566.db2.gz LXRLAWYPZFSVKN-UHFFFAOYSA-N 1 0 390.265 2.518 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)C1CCN(C(=O)c2ccc(Cl)s2)CC1 ZINC000121969178 654726487 /nfs/dbraw/zinc/72/64/87/654726487.db2.gz UTBDJJVNTHINGB-TZMCWYRMSA-N 1 0 383.945 2.982 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)c1ccn(-c2cccc(Br)c2)n1 ZINC000122294989 654732562 /nfs/dbraw/zinc/73/25/62/654732562.db2.gz SMWYAJOSDYSXCF-LRDDRELGSA-N 1 0 377.286 2.977 20 0 GFADRO CC(C)[C@@H](CNC(=O)NCC[C@]1(C)CC1(Cl)Cl)[NH+]1CCN(C)CC1 ZINC000837443371 660997699 /nfs/dbraw/zinc/99/76/99/660997699.db2.gz MYDOUJKZLBWSMN-GDBMZVCRSA-N 1 0 379.376 2.532 20 0 GFADRO C[C@H](C[C@H]1COCCN1C(=O)OC(C)(C)C)[NH2+]CC[S@@](=O)C(C)(C)C ZINC000122677492 654741995 /nfs/dbraw/zinc/74/19/95/654741995.db2.gz BWPOSOSFTUOTER-XESHVACXSA-N 1 0 376.563 2.538 20 0 GFADRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)c2c(Br)nc3n2CCCC3)C1 ZINC000837464460 660999904 /nfs/dbraw/zinc/99/99/04/660999904.db2.gz CNIWFYGPIWHGTQ-CYBMUJFWSA-N 1 0 383.334 2.690 20 0 GFADRO Cc1cc(NC(=O)C[NH2+]C2(c3ccc(Br)cc3)CCOCC2)no1 ZINC000054394235 654759823 /nfs/dbraw/zinc/75/98/23/654759823.db2.gz LLSJSECYYXSWFQ-UHFFFAOYSA-N 1 0 394.269 2.980 20 0 GFADRO C[NH+]1CCN(c2ccc(NC(=O)c3ccc(Br)c(F)c3)nc2)CC1 ZINC000123713002 654761665 /nfs/dbraw/zinc/76/16/65/654761665.db2.gz ZKFWJEHEGMWRIC-UHFFFAOYSA-N 1 0 393.260 2.987 20 0 GFADRO CCCN(CC[NH+](C)C)C(=O)Cc1cc2c(cc1Br)OCCO2 ZINC000123746258 654762464 /nfs/dbraw/zinc/76/24/64/654762464.db2.gz DYBFSEYEYUUXDV-UHFFFAOYSA-N 1 0 385.302 2.563 20 0 GFADRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)c1c(Br)nc2n1CCCC2 ZINC000837506185 661002334 /nfs/dbraw/zinc/00/23/34/661002334.db2.gz MKOBCIAAVPUHHT-LBPRGKRZSA-N 1 0 383.334 2.784 20 0 GFADRO Cc1ccc(NC(=O)C(=O)N[C@H](C)C[NH+]2CCCCC2)cc1Br ZINC000123956263 654766900 /nfs/dbraw/zinc/76/69/00/654766900.db2.gz LOFXPSMFCNSBCE-CYBMUJFWSA-N 1 0 382.302 2.687 20 0 GFADRO COc1ccc(CNC(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cc1Br ZINC000123998622 654768498 /nfs/dbraw/zinc/76/84/98/654768498.db2.gz ZYNAORUAQBBWBY-DGCLKSJQSA-N 1 0 382.302 2.882 20 0 GFADRO CC(C)C[NH+]1CCN(C(=O)C[C@H]2Sc3ccc(Cl)cc3NC2=O)CC1 ZINC000055168359 654770066 /nfs/dbraw/zinc/77/00/66/654770066.db2.gz LYACSGXMISFZOD-MRXNPFEDSA-N 1 0 381.929 2.943 20 0 GFADRO CC[NH+]1CCC(NC(=O)[C@H]2CC(=O)N(c3cc(Cl)cc(Cl)c3)C2)CC1 ZINC000055165804 654770088 /nfs/dbraw/zinc/77/00/88/654770088.db2.gz MQYYCUVBZVJFQS-LBPRGKRZSA-N 1 0 384.307 2.947 20 0 GFADRO C[C@H]1CCC[N@H+](CCNS(=O)(=O)c2cc(Br)cnc2Cl)C1 ZINC000055240991 654772398 /nfs/dbraw/zinc/77/23/98/654772398.db2.gz FPSOHXSBNOTNJX-JTQLQIEISA-N 1 0 396.738 2.508 20 0 GFADRO Cc1nn(C)c(Cl)c1S(=O)(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000055245563 654772427 /nfs/dbraw/zinc/77/24/27/654772427.db2.gz MJOJBLBGPSTSTB-UHFFFAOYSA-N 1 0 388.965 2.659 20 0 GFADRO COc1ccc(C(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)c(Br)c1 ZINC000124341404 654774620 /nfs/dbraw/zinc/77/46/20/654774620.db2.gz HETXAKYXDXSZFT-STQMWFEESA-N 1 0 385.302 2.687 20 0 GFADRO COC(=O)c1cc(S(=O)(=O)N[C@@](C)(C[NH3+])CC(C)C)c(Cl)cc1Cl ZINC000124462076 654776239 /nfs/dbraw/zinc/77/62/39/654776239.db2.gz LGGQKHNDVHUHTC-OAHLLOKOSA-N 1 0 397.324 2.822 20 0 GFADRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)c2cc(S(C)(=O)=O)ccc2Cl)C1 ZINC000124498384 654776456 /nfs/dbraw/zinc/77/64/56/654776456.db2.gz UNYZVDSFAGSRRS-CQSZACIVSA-N 1 0 386.945 2.841 20 0 GFADRO Cc1cc(NC(=O)C(=O)N2CCC(CC[NH+](C)C)CC2)ccc1Br ZINC000124523054 654777486 /nfs/dbraw/zinc/77/74/86/654777486.db2.gz WMDMQSHBBSRPHE-UHFFFAOYSA-N 1 0 396.329 2.886 20 0 GFADRO O=C(NCCCC[NH+]1CCOCC1)c1ccc(Cl)cc1Br ZINC000124526173 654777510 /nfs/dbraw/zinc/77/75/10/654777510.db2.gz UWOMUVTWIOEKRD-UHFFFAOYSA-N 1 0 375.694 2.945 20 0 GFADRO C[NH+]1CCN(c2ccc(NC(=O)c3cccnc3Br)cc2)CC1 ZINC000125438531 654794521 /nfs/dbraw/zinc/79/45/21/654794521.db2.gz YUYAHMIWUNSPOK-UHFFFAOYSA-N 1 0 375.270 2.848 20 0 GFADRO CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+][C@@H]2CCN(CC(F)(F)F)C2)cc1 ZINC000125833846 654803188 /nfs/dbraw/zinc/80/31/88/654803188.db2.gz QAALPQSVGMIWFG-IUODEOHRSA-N 1 0 379.448 2.735 20 0 GFADRO Cc1nn(-c2ccccc2)c(Cl)c1CSc1nnnn1CC[NH+](C)C ZINC000125871100 654804123 /nfs/dbraw/zinc/80/41/23/654804123.db2.gz FEGNRYZPSHULCS-UHFFFAOYSA-N 1 0 377.905 2.675 20 0 GFADRO C[C@@H](CNC(=O)CSc1nncn1-c1cccc(Cl)c1)[N@H+](C)C1CC1 ZINC000057712084 654808816 /nfs/dbraw/zinc/80/88/16/654808816.db2.gz UIJISRAFLGWQEP-LBPRGKRZSA-N 1 0 379.917 2.612 20 0 GFADRO C[C@H](CNS(=O)(=O)c1ccccc1Br)[N@@H+]1CCC[C@H](C)C1 ZINC000058178810 654816126 /nfs/dbraw/zinc/81/61/26/654816126.db2.gz APNWDOYRGWXXGS-QWHCGFSZSA-N 1 0 375.332 2.848 20 0 GFADRO O=C(N[C@@H]1CC[NH2+]C1)c1cnn(-c2ncc(Cl)cc2Cl)c1C(F)(F)F ZINC000127425478 654829637 /nfs/dbraw/zinc/82/96/37/654829637.db2.gz LJUQJOMBNVNASE-MRVPVSSYSA-N 1 0 394.184 2.685 20 0 GFADRO O=S(=O)(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1ccc(F)cc1Cl ZINC000127518822 654831181 /nfs/dbraw/zinc/83/11/81/654831181.db2.gz ZQERVEQMHKRBOF-HZPDHXFCSA-N 1 0 390.908 2.525 20 0 GFADRO C[C@H]1C[C@@H](NS(=O)(=O)Cc2ccc(Cl)nc2)C[N@@H+]1Cc1ccccc1 ZINC000128145791 654841804 /nfs/dbraw/zinc/84/18/04/654841804.db2.gz SEEMWBMBVSQNET-WMLDXEAASA-N 1 0 379.913 2.817 20 0 GFADRO Cc1ccc(Cl)c(S(=O)(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)c1 ZINC000128367675 654844737 /nfs/dbraw/zinc/84/47/37/654844737.db2.gz NUQXCFQMPLGUFY-IRXDYDNUSA-N 1 0 386.945 2.695 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@@H](NC(=O)C2CCN(C(=O)c3ccc(Cl)s3)CC2)C1 ZINC000128409295 654846027 /nfs/dbraw/zinc/84/60/27/654846027.db2.gz RGBPLAJWMVVMAY-ZIAGYGMSSA-N 1 0 383.945 2.853 20 0 GFADRO CCC[NH+]1CCC(CNC(=O)C(=O)Nc2ccc(C)c(Br)c2)CC1 ZINC000128614094 654848537 /nfs/dbraw/zinc/84/85/37/654848537.db2.gz YOQWCCFLYPEZJC-UHFFFAOYSA-N 1 0 396.329 2.934 20 0 GFADRO O=S(=O)(c1ccc(Br)s1)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000063189886 654850270 /nfs/dbraw/zinc/85/02/70/654850270.db2.gz ZHGZCFBHPXPXKP-WDEREUQCSA-N 1 0 379.345 2.806 20 0 GFADRO CC(C)[N@H+](CCC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1Cl)C1CC1 ZINC000063492936 654853227 /nfs/dbraw/zinc/85/32/27/654853227.db2.gz MAVIQSZOUWCIPC-UHFFFAOYSA-N 1 0 387.933 2.792 20 0 GFADRO Cc1ccc(S(=O)(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c(Br)c1 ZINC000129176116 654859166 /nfs/dbraw/zinc/85/91/66/654859166.db2.gz GONIQIALNSMXEP-UKRRQHHQSA-N 1 0 387.343 2.862 20 0 GFADRO CSc1ccc(S(=O)(=O)NCc2ccc(OCC[NH+](C)C)cc2)cc1 ZINC000064596651 654872529 /nfs/dbraw/zinc/87/25/29/654872529.db2.gz JXQLVVHWLWXEBA-UHFFFAOYSA-N 1 0 380.535 2.827 20 0 GFADRO C[NH+](C)CC(C)(C)CNC(=O)[C@@]12CCC(=O)N1c1cc(Cl)ccc1S2 ZINC000064777971 654875371 /nfs/dbraw/zinc/87/53/71/654875371.db2.gz WNTIDLPNQXVHRE-SFHVURJKSA-N 1 0 381.929 2.973 20 0 GFADRO COc1ccc(I)c(NC(=O)N[C@@H](C)CC[NH+](C)C)c1 ZINC000266397758 654876866 /nfs/dbraw/zinc/87/68/66/654876866.db2.gz GVUVMEFBEYMYRB-JTQLQIEISA-N 1 0 391.253 2.762 20 0 GFADRO CCOc1ccc(S(=O)(=O)NC[C@@H](C)[N@H+](C)C2CC2)cc1Br ZINC000129937270 654878034 /nfs/dbraw/zinc/87/80/34/654878034.db2.gz CRJQZBSAPUTTSW-LLVKDONJSA-N 1 0 391.331 2.609 20 0 GFADRO C[C@@H]([NH2+]CC1CCN(S(C)(=O)=O)CC1)c1ccc(F)cc1Br ZINC000130214875 654883964 /nfs/dbraw/zinc/88/39/64/654883964.db2.gz LJPSQBUSCGBFRV-LLVKDONJSA-N 1 0 393.322 2.910 20 0 GFADRO CC[NH+]1CCN([C@H](C)CNC(=O)[C@H](C)Oc2cc(Cl)cc(Cl)c2)CC1 ZINC000066147279 654895641 /nfs/dbraw/zinc/89/56/41/654895641.db2.gz ATJLIBDDBISGHY-KGLIPLIRSA-N 1 0 388.339 2.903 20 0 GFADRO COc1c(Cl)cc(NC(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)C2)cc1Cl ZINC000066222602 654896981 /nfs/dbraw/zinc/89/69/81/654896981.db2.gz VSFADURIZDCAMV-LBPRGKRZSA-N 1 0 386.279 2.637 20 0 GFADRO O=C(CS(=O)(=O)c1ccc(Cl)cc1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000131413562 654905724 /nfs/dbraw/zinc/90/57/24/654905724.db2.gz CCWOZMQDFPWFRA-INIZCTEOSA-N 1 0 384.929 2.591 20 0 GFADRO C[NH+](C)C[C@@](C)(O)CNCc1csc(-c2cccc(Br)c2)n1 ZINC000131418344 654906180 /nfs/dbraw/zinc/90/61/80/654906180.db2.gz MZLQZQQSJNDWTD-INIZCTEOSA-N 1 0 384.343 2.975 20 0 GFADRO CCCOc1c(Br)cc(CNC[C@](C)(O)C[NH+](C)C)cc1OC ZINC000131439356 654907147 /nfs/dbraw/zinc/90/71/47/654907147.db2.gz PUQOHGCPWPRBEC-KRWDZBQOSA-N 1 0 389.334 2.649 20 0 GFADRO O=C(Cc1csc(-c2cccs2)n1)NCCCC[N@H+]1CCC[C@H]1CO ZINC000131460213 654907870 /nfs/dbraw/zinc/90/78/70/654907870.db2.gz BXMJEQYBXPTWEB-HNNXBMFYSA-N 1 0 379.551 2.767 20 0 GFADRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)NC[C@H](O)c2ccccc2Br)C1 ZINC000838314255 661039940 /nfs/dbraw/zinc/03/99/40/661039940.db2.gz RKBKOYVMZJTPBC-PBHICJAKSA-N 1 0 398.345 2.902 20 0 GFADRO CC(=O)Nc1nc(C(=O)NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)cs1 ZINC000131608341 654910889 /nfs/dbraw/zinc/91/08/89/654910889.db2.gz WJPGJPBXUDTARG-DOMZBBRYSA-N 1 0 378.523 2.976 20 0 GFADRO O=C(CCc1ccccc1Br)NCCCC[N@H+]1CCC[C@H]1CO ZINC000131657505 654912618 /nfs/dbraw/zinc/91/26/18/654912618.db2.gz SAWCLISNAKEFQY-INIZCTEOSA-N 1 0 383.330 2.735 20 0 GFADRO O=C(/C=C/c1cc(Br)cs1)NCCCC[N@H+]1CCC[C@H]1CO ZINC000131689820 654913698 /nfs/dbraw/zinc/91/36/98/654913698.db2.gz BZXKAQRMXJMGQR-GJBLVYBDSA-N 1 0 387.343 2.877 20 0 GFADRO CC(C)(C[NH2+][C@H]1CCCOC1)S(=O)(=O)c1ccc(Br)cc1 ZINC000131701935 654914426 /nfs/dbraw/zinc/91/44/26/654914426.db2.gz FVEMGPYTWAEVJB-ZDUSSCGKSA-N 1 0 376.316 2.770 20 0 GFADRO O=S1(=O)CCC[C@H]1C[NH2+]Cc1cc(Cl)ccc1OCc1cccnc1 ZINC000131744271 654916365 /nfs/dbraw/zinc/91/63/65/654916365.db2.gz CYSHPCUYAQRNQB-KRWDZBQOSA-N 1 0 380.897 2.981 20 0 GFADRO CC[C@H](Cc1ccccc1Br)C(=O)NCCCN1CC[NH+](C)CC1 ZINC000131869041 654920053 /nfs/dbraw/zinc/92/00/53/654920053.db2.gz DXYNRYLTICTBDV-MRXNPFEDSA-N 1 0 396.373 2.772 20 0 GFADRO CNS(=O)(=O)Cc1ccc(C[NH2+][C@H]2CSCCc3ccccc32)cc1 ZINC000131922998 654921768 /nfs/dbraw/zinc/92/17/68/654921768.db2.gz WWFZHDIYMAYOQQ-IBGZPJMESA-N 1 0 376.547 2.856 20 0 GFADRO Cc1ccc(C[NH2+]C[C@@H](O)COc2ccc(I)cc2)o1 ZINC000066992950 654924734 /nfs/dbraw/zinc/92/47/34/654924734.db2.gz ZCAQLZDDYSKZKL-CYBMUJFWSA-N 1 0 387.217 2.722 20 0 GFADRO CC[NH+](CC)CCCCNC(=O)c1ccc(CS(=O)(=O)C(F)F)cc1 ZINC000267568511 654935418 /nfs/dbraw/zinc/93/54/18/654935418.db2.gz GWYJZAMEEZDPFF-UHFFFAOYSA-N 1 0 376.469 2.676 20 0 GFADRO CC(=O)NC[C@@H]1CCC[N@H+](C[C@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000067412203 654938433 /nfs/dbraw/zinc/93/84/33/654938433.db2.gz OSQIUXUINQKANR-ZFWWWQNUSA-N 1 0 375.296 2.581 20 0 GFADRO C[C@@H]1C[N@@H+](C2CCN(C(=O)c3ccc(Br)c(F)c3)CC2)CCO1 ZINC000067592274 654941613 /nfs/dbraw/zinc/94/16/13/654941613.db2.gz INLPJOXFCPYHSG-GFCCVEGCSA-N 1 0 385.277 2.914 20 0 GFADRO Cc1c(Br)cccc1CC[NH2+]Cc1nc(Br)nn1C ZINC000922684507 664610750 /nfs/dbraw/zinc/61/07/50/664610750.db2.gz RBFJQIDIPIFKGM-UHFFFAOYSA-N 1 0 388.107 2.981 20 0 GFADRO C[C@H](CNC(=O)C(=O)Nc1ccc(Br)cc1)[NH+]1CCC(C)CC1 ZINC000067764245 654944978 /nfs/dbraw/zinc/94/49/78/654944978.db2.gz MOQZNGOBGLVAJF-CYBMUJFWSA-N 1 0 382.302 2.624 20 0 GFADRO C[C@H]1CCC[N@H+](CCCCNC(=O)c2ccc(Cl)c(S(C)(=O)=O)c2)C1 ZINC000068126943 654955430 /nfs/dbraw/zinc/95/54/30/654955430.db2.gz XBDSOSCXFWWPQB-AWEZNQCLSA-N 1 0 386.945 2.985 20 0 GFADRO CC[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2ccc(Br)cc2C)C1 ZINC000133298651 654959705 /nfs/dbraw/zinc/95/97/05/654959705.db2.gz ZBMMSXWXOUSBTI-ZDUSSCGKSA-N 1 0 375.332 2.768 20 0 GFADRO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)c1[nH]nc(C2CC2)c1Br ZINC000068437455 654962203 /nfs/dbraw/zinc/96/22/03/654962203.db2.gz IRVCTICBFVWTSG-CQSZACIVSA-N 1 0 391.313 2.952 20 0 GFADRO Cc1nc(C)c(NC(=O)C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)s1 ZINC000268209052 654963533 /nfs/dbraw/zinc/96/35/33/654963533.db2.gz ZTBPKWXZOWSJLL-CYBMUJFWSA-N 1 0 378.523 2.713 20 0 GFADRO C[NH+](C)[C@@H]1CCCN(C(=O)c2ccc(F)cc2I)C1 ZINC000068486991 654963963 /nfs/dbraw/zinc/96/39/63/654963963.db2.gz OHRZLLVNEATPGL-LLVKDONJSA-N 1 0 376.213 2.597 20 0 GFADRO CC(C)[NH+]1CCC(O)(CNC(=O)[C@@H](C)Oc2ccccc2Br)CC1 ZINC000268423344 654970743 /nfs/dbraw/zinc/97/07/43/654970743.db2.gz BMMITQQCDWMSEE-CQSZACIVSA-N 1 0 399.329 2.568 20 0 GFADRO CCN1CC[NH+](C[C@H](C)CNC(=O)c2cc(C)sc2Br)CC1 ZINC000268431700 654970952 /nfs/dbraw/zinc/97/09/52/654970952.db2.gz AUZBGKKPDLKUFO-GFCCVEGCSA-N 1 0 388.375 2.822 20 0 GFADRO O=C(/C=C/c1ccc(Br)s1)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000268461105 654973048 /nfs/dbraw/zinc/97/30/48/654973048.db2.gz DUYVAUVDZOWSJX-GQCTYLIASA-N 1 0 398.370 2.764 20 0 GFADRO CCN1CC[NH+](CCCCNC(=O)c2cc(C)sc2Br)CC1 ZINC000268513992 654975804 /nfs/dbraw/zinc/97/58/04/654975804.db2.gz SCXRWRCQOFHNOV-UHFFFAOYSA-N 1 0 388.375 2.967 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)C(=O)NC1CC[NH+](CC)CC1 ZINC000268706446 654983586 /nfs/dbraw/zinc/98/35/86/654983586.db2.gz LKIPFDCRRLEMTR-UHFFFAOYSA-N 1 0 382.302 2.551 20 0 GFADRO C[NH+](C)CCC1CCN(Cc2nnnn2-c2ccccc2Br)CC1 ZINC000069608317 654984177 /nfs/dbraw/zinc/98/41/77/654984177.db2.gz ZZJMWRGVGYCZRF-UHFFFAOYSA-N 1 0 393.333 2.589 20 0 GFADRO O=C(Cc1ccccc1Br)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000069744675 654986118 /nfs/dbraw/zinc/98/61/18/654986118.db2.gz GOAJOSPFODYIGC-OAHLLOKOSA-N 1 0 381.314 2.562 20 0 GFADRO O=C(NCCCC[NH+]1CCOCC1)N[C@@H]1CCc2c1cccc2Br ZINC000069770299 654986320 /nfs/dbraw/zinc/98/63/20/654986320.db2.gz VAWOFGWVGPBZFL-QGZVFWFLSA-N 1 0 396.329 2.848 20 0 GFADRO C[NH+]1CCN(Cc2cccc(C(=O)Nc3ccc(Br)nc3)c2)CC1 ZINC000134233576 654987182 /nfs/dbraw/zinc/98/71/82/654987182.db2.gz WKCRAHBGFTZCLT-UHFFFAOYSA-N 1 0 389.297 2.844 20 0 GFADRO O[C@@H](C[N@@H+]1CCC[C@H](CN2CCOCC2)C1)c1ccc(Br)cc1 ZINC000069858050 654987397 /nfs/dbraw/zinc/98/73/97/654987397.db2.gz PVVSHVKUIJFROY-QAPCUYQASA-N 1 0 383.330 2.527 20 0 GFADRO NC(=O)[C@H]1CCCN1CCC[NH2+][C@H]1CCCOc2cc(Br)ccc21 ZINC000268867801 654989569 /nfs/dbraw/zinc/98/95/69/654989569.db2.gz FRZAJEJZSDBPFQ-JKSUJKDBSA-N 1 0 396.329 2.592 20 0 GFADRO NC(=O)[C@H]1CCCN1CCC[NH2+][C@H]1CCc2c1cc(Br)cc2F ZINC000268934962 654991826 /nfs/dbraw/zinc/99/18/26/654991826.db2.gz RLEAWCQVQNZYLJ-JKSUJKDBSA-N 1 0 384.293 2.505 20 0 GFADRO CC[NH+]1CCC(NC(=O)C(=O)Nc2ccccc2SC(F)(F)F)CC1 ZINC000070750487 654994397 /nfs/dbraw/zinc/99/43/97/654994397.db2.gz CVYDIXNIGDHRMX-UHFFFAOYSA-N 1 0 375.416 2.838 20 0 GFADRO O=C(Nc1ccc(Br)cn1)c1cccc(NC(=O)[C@H]2CCC[NH2+]2)c1 ZINC000070814740 654995562 /nfs/dbraw/zinc/99/55/62/654995562.db2.gz QQGRIDSJESJKRC-CQSZACIVSA-N 1 0 389.253 2.787 20 0 GFADRO O=C(Nc1ccc(Br)c(I)c1)[C@@H]1CCC[NH2+]1 ZINC000070845637 654996065 /nfs/dbraw/zinc/99/60/65/654996065.db2.gz CKXRCAOALCVUPP-JTQLQIEISA-N 1 0 395.038 2.744 20 0 GFADRO [NH3+]C1(CNC(=O)Cc2csc(NC(=O)c3cccs3)n2)CCCCC1 ZINC000269112248 654998105 /nfs/dbraw/zinc/99/81/05/654998105.db2.gz PZHVFQVFNSYMOM-UHFFFAOYSA-N 1 0 378.523 2.777 20 0 GFADRO CCCc1c(C(=O)NCC[C@@H](C)[NH3+])nnn1Cc1cccc(Br)c1 ZINC000269152196 655000007 /nfs/dbraw/zinc/00/00/07/655000007.db2.gz PLBOBYPZMZHFOB-GFCCVEGCSA-N 1 0 394.317 2.509 20 0 GFADRO O=C(NC1(c2c(Cl)cccc2Cl)CC1)c1cn(C2CC[NH2+]CC2)nn1 ZINC000269221942 655002174 /nfs/dbraw/zinc/00/21/74/655002174.db2.gz BEVANHBEVRXHMQ-UHFFFAOYSA-N 1 0 380.279 2.929 20 0 GFADRO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000269221374 655002213 /nfs/dbraw/zinc/00/22/13/655002213.db2.gz SJIKMZOVUPYPGO-NEPJUHHUSA-N 1 0 393.281 2.982 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)c(Br)c1 ZINC000269247432 655002858 /nfs/dbraw/zinc/00/28/58/655002858.db2.gz ABWJBDNUBUWPAF-CYBMUJFWSA-N 1 0 394.313 2.605 20 0 GFADRO C[N@@H+]1CCC[C@@H]2CN(S(=O)(=O)c3cc(F)ccc3Br)CC[C@H]21 ZINC000269377981 655007639 /nfs/dbraw/zinc/00/76/39/655007639.db2.gz WGPQZNFAINSFEQ-BXUZGUMPSA-N 1 0 391.306 2.693 20 0 GFADRO Cc1cc(Br)oc1C(=O)N1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000269430196 655009267 /nfs/dbraw/zinc/00/92/67/655009267.db2.gz ZOBLFBQDMBGHLH-UHFFFAOYSA-N 1 0 398.345 2.981 20 0 GFADRO Cc1nn(C)cc1C[N@@H+]1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000091841530 655010334 /nfs/dbraw/zinc/01/03/34/655010334.db2.gz ROGBIXARZXTFKG-ZDUSSCGKSA-N 1 0 392.301 2.737 20 0 GFADRO O=C(c1ccncc1I)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000135144699 655010504 /nfs/dbraw/zinc/01/05/04/655010504.db2.gz LYKFTSQZLUXFSG-CYBMUJFWSA-N 1 0 399.276 2.777 20 0 GFADRO C[NH+]1CCC(O)(CNC(=O)Nc2ccc(Br)c(Cl)c2)CC1 ZINC000269488516 655011249 /nfs/dbraw/zinc/01/12/49/655011249.db2.gz XJAXGSLVKQTSHN-UHFFFAOYSA-N 1 0 376.682 2.681 20 0 GFADRO COCC(=O)N1CCC([NH2+]Cc2ccc(Br)cc2Cl)CC1 ZINC000135173861 655011254 /nfs/dbraw/zinc/01/12/54/655011254.db2.gz AFTSUCUXIPJEGJ-UHFFFAOYSA-N 1 0 375.694 2.830 20 0 GFADRO CN(C(=O)C[C@H]1CSCCS1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000269749251 655019900 /nfs/dbraw/zinc/01/99/00/655019900.db2.gz PKOICJIPBZISMG-SFHVURJKSA-N 1 0 379.595 2.786 20 0 GFADRO C[N@@H+]1CCC[C@H](CCNC(=O)NC[C@H](O)c2ccccc2Br)C1 ZINC000838768905 661056475 /nfs/dbraw/zinc/05/64/75/661056475.db2.gz SAEAINAYTZBUSH-CJNGLKHVSA-N 1 0 384.318 2.514 20 0 GFADRO O=S(=O)(c1c[nH]c2nccc(Cl)c12)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000093911382 655023166 /nfs/dbraw/zinc/02/31/66/655023166.db2.gz QRYIZPYWVHSKOP-ZDUSSCGKSA-N 1 0 382.917 2.855 20 0 GFADRO Cc1nnccc1C(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000269977028 655029731 /nfs/dbraw/zinc/02/97/31/655029731.db2.gz NWRVPTPETDFDSC-UHFFFAOYSA-N 1 0 377.286 2.752 20 0 GFADRO CN(CCN(C)S(=O)(=O)c1cc(Cl)ccc1Cl)C1CC[NH+](C)CC1 ZINC000097000218 655033150 /nfs/dbraw/zinc/03/31/50/655033150.db2.gz NNDOHXGNGCMWBW-UHFFFAOYSA-N 1 0 394.368 2.640 20 0 GFADRO C[N@@H+]1CCCN(C(=O)c2cc(Cl)ccc2I)CC1 ZINC000097292978 655034299 /nfs/dbraw/zinc/03/42/99/655034299.db2.gz YQFCTNMMWFTWEM-UHFFFAOYSA-N 1 0 378.641 2.722 20 0 GFADRO O=C(Cc1ccccc1Br)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000097590301 655036534 /nfs/dbraw/zinc/03/65/34/655036534.db2.gz ALORFSSQESYYBG-AWEZNQCLSA-N 1 0 381.314 2.609 20 0 GFADRO CC(C)[NH+]1CCC(NC(=O)Cc2ccccc2I)CC1 ZINC000136895228 655036570 /nfs/dbraw/zinc/03/65/70/655036570.db2.gz DIGQMWUTLLZVMB-UHFFFAOYSA-N 1 0 386.277 2.823 20 0 GFADRO C[NH+](C)CCn1cc(NC(=O)CSCc2ccc(Cl)cc2)ccc1=O ZINC000270222921 655037857 /nfs/dbraw/zinc/03/78/57/655037857.db2.gz MVDMWVAQDXOLTM-UHFFFAOYSA-N 1 0 379.913 2.935 20 0 GFADRO COCC[NH+]1CCC(NC(=O)c2cc3cc(Br)ccc3[nH]2)CC1 ZINC000138628358 655043417 /nfs/dbraw/zinc/04/34/17/655043417.db2.gz QAWMGDFWVILYLC-UHFFFAOYSA-N 1 0 380.286 2.771 20 0 GFADRO COC[C@H](C)NC(=O)NC(=O)C[NH2+]C(C)(C)c1ccc(Cl)c(Cl)c1 ZINC000101549880 655043610 /nfs/dbraw/zinc/04/36/10/655043610.db2.gz IOXTVYDSYWPNMN-JTQLQIEISA-N 1 0 376.284 2.679 20 0 GFADRO CC(C)[NH+]1CCN(C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)CC1 ZINC000270580577 655049653 /nfs/dbraw/zinc/04/96/53/655049653.db2.gz WIPSELKYYJLPRN-UHFFFAOYSA-N 1 0 385.961 2.519 20 0 GFADRO COc1ccc(CNC(=O)N2CC[NH+](CC3CC3)CC2)cc1Br ZINC000102052807 655050071 /nfs/dbraw/zinc/05/00/71/655050071.db2.gz FDSXJCRVJVIGKA-UHFFFAOYSA-N 1 0 382.302 2.695 20 0 GFADRO CCOc1cc(CNC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cc(Br)c1O ZINC000838938369 661063990 /nfs/dbraw/zinc/06/39/90/661063990.db2.gz FHPYBEFUNXEMHP-KGLIPLIRSA-N 1 0 385.302 2.506 20 0 GFADRO CCC[NH+](CCC)CCCNC(=O)c1ccc(Cl)c(NS(C)(=O)=O)c1 ZINC000102758433 655060099 /nfs/dbraw/zinc/06/00/99/655060099.db2.gz HNDNSZSAEKJJAU-UHFFFAOYSA-N 1 0 389.949 2.953 20 0 GFADRO O=C(c1cnn2cc(Br)cnc12)N1CCC([NH+]2CCCCC2)CC1 ZINC000271255170 655072868 /nfs/dbraw/zinc/07/28/68/655072868.db2.gz LJLZUMZJGKZFOA-UHFFFAOYSA-N 1 0 392.301 2.582 20 0 GFADRO CCOC(=O)N1CCC(NC(=[NH2+])NCCSc2ccc(Cl)cc2)CC1 ZINC000104156728 655079230 /nfs/dbraw/zinc/07/92/30/655079230.db2.gz GIKPDRIIAJRLPB-UHFFFAOYSA-N 1 0 384.933 2.957 20 0 GFADRO CCOCCCNC(=[NH2+])NCC1(c2ccc(Br)cc2)CCOCC1 ZINC000104192086 655079471 /nfs/dbraw/zinc/07/94/71/655079471.db2.gz ZUIOMEQGTAPXSI-UHFFFAOYSA-N 1 0 398.345 2.828 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)c(C)c1C(=O)NC[C@H]1CC[N@@H+](C)C1 ZINC000104186887 655079524 /nfs/dbraw/zinc/07/95/24/655079524.db2.gz HRPXFUZTZAEXSB-CQSZACIVSA-N 1 0 391.313 2.933 20 0 GFADRO C[C@H]([NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1)c1ccc(OCC(F)(F)F)cc1 ZINC000271477717 655082688 /nfs/dbraw/zinc/08/26/88/655082688.db2.gz IGMYPBBSERYMLP-STQMWFEESA-N 1 0 380.432 2.560 20 0 GFADRO O=S(=O)(c1ccc(Cl)s1)N1CCC[N@@H+](CC2(O)CCCCC2)CC1 ZINC000155448577 655084692 /nfs/dbraw/zinc/08/46/92/655084692.db2.gz QYJFAVQPQDHMSU-UHFFFAOYSA-N 1 0 392.974 2.793 20 0 GFADRO Cc1sc(Br)cc1S(=O)(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000155459559 655084964 /nfs/dbraw/zinc/08/49/64/655084964.db2.gz PVWALWSQPQYQJQ-MNOVXSKESA-N 1 0 381.361 2.970 20 0 GFADRO COc1cc[nH+]c(N2CCN(S(=O)(=O)c3ccc(C)cc3Cl)CC2)c1 ZINC000104749266 655085582 /nfs/dbraw/zinc/08/55/82/655085582.db2.gz PVNLXGBGVJNGJT-UHFFFAOYSA-N 1 0 381.885 2.563 20 0 GFADRO C[N@H+](CCNC(=O)NCC(=O)Nc1ccc(Br)cc1)C1CCCC1 ZINC000104806218 655086948 /nfs/dbraw/zinc/08/69/48/655086948.db2.gz MINIKDGDANNTTJ-UHFFFAOYSA-N 1 0 397.317 2.561 20 0 GFADRO COc1cc([C@H](C)[NH2+]C[C@@](C)(O)C(F)(F)F)ccc1S(=O)(=O)C(F)F ZINC000271596165 655087460 /nfs/dbraw/zinc/08/74/60/655087460.db2.gz YXFRDGGNIIQDBE-ISVAXAHUSA-N 1 0 391.358 2.655 20 0 GFADRO C[C@H](CNC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1)[N@H+](C)C1CC1 ZINC000105267077 655090045 /nfs/dbraw/zinc/09/00/45/655090045.db2.gz YAYVOBMSSUJOOS-GFCCVEGCSA-N 1 0 386.327 2.703 20 0 GFADRO NC(=O)[C@H]([NH2+]CCN1CCc2ccccc2C1)c1ccc(Br)cc1 ZINC000105400926 655092227 /nfs/dbraw/zinc/09/22/27/655092227.db2.gz UQHROXXZAXMFCC-GOSISDBHSA-N 1 0 388.309 2.623 20 0 GFADRO COc1cccc2c1OC[C@H]([NH2+][C@@H](C(N)=O)c1ccc(Br)cc1)C2 ZINC000105402493 655092792 /nfs/dbraw/zinc/09/27/92/655092792.db2.gz GCECMPKJYJTWJG-GDBMZVCRSA-N 1 0 391.265 2.577 20 0 GFADRO COc1cccc2c1OC[C@@H]([NH2+][C@H](C(N)=O)c1ccc(Br)cc1)C2 ZINC000105402490 655092838 /nfs/dbraw/zinc/09/28/38/655092838.db2.gz GCECMPKJYJTWJG-HOCLYGCPSA-N 1 0 391.265 2.577 20 0 GFADRO C[C@@H]([NH2+]CC1=Cc2cc(Br)ccc2OC1)[C@@H](C)N1CCOCC1 ZINC000105500769 655093619 /nfs/dbraw/zinc/09/36/19/655093619.db2.gz ZEPRUXOKBRUDGR-ZIAGYGMSSA-N 1 0 381.314 2.924 20 0 GFADRO C[C@@H]([NH2+]CCn1cc(Br)cn1)c1ccc(N2CCOC2=O)cc1 ZINC000271802929 655095269 /nfs/dbraw/zinc/09/52/69/655095269.db2.gz MSZRZIHBRRVIQT-GFCCVEGCSA-N 1 0 379.258 2.953 20 0 GFADRO CC[NH+]1CCC(N(C)C(=O)[C@@H](C)NC(=O)c2ccc(Br)cc2)CC1 ZINC000105599821 655095544 /nfs/dbraw/zinc/09/55/44/655095544.db2.gz UWUHJTVSNROUPR-CYBMUJFWSA-N 1 0 396.329 2.510 20 0 GFADRO CN(C)C(=O)C1CC[NH+](Cn2ccc(=O)c3cccc(Br)c32)CC1 ZINC000105604287 655095804 /nfs/dbraw/zinc/09/58/04/655095804.db2.gz OLHJTKVOYXJVAH-UHFFFAOYSA-N 1 0 392.297 2.522 20 0 GFADRO C[N@H+]1CC=C(CNC(=O)c2cnn(-c3cccc(Br)c3)c2)CC1 ZINC000271912864 655098485 /nfs/dbraw/zinc/09/84/85/655098485.db2.gz RSWWXOWHMLIKFC-UHFFFAOYSA-N 1 0 375.270 2.627 20 0 GFADRO Cc1ccc(-n2nc(Br)cc2C(=O)N2CC[C@@H]([C@@H](C)[NH3+])C2)cc1 ZINC000272296414 655108318 /nfs/dbraw/zinc/10/83/18/655108318.db2.gz PZZXXBITGPWHQC-CHWSQXEVSA-N 1 0 377.286 2.753 20 0 GFADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)Nc3ccc(I)cc3)[C@@H]2C1 ZINC000272343758 655109602 /nfs/dbraw/zinc/10/96/02/655109602.db2.gz ZERQVXFDCINULH-BXUZGUMPSA-N 1 0 385.249 2.849 20 0 GFADRO CC[NH+](CC)[C@@H]1CCN(C(=O)Nc2ccncc2I)C1 ZINC000272398190 655111181 /nfs/dbraw/zinc/11/11/81/655111181.db2.gz WWVUDGZRFRRPAT-LLVKDONJSA-N 1 0 388.253 2.634 20 0 GFADRO O=S(=O)(N[C@@H]1CC[N@@H+](C2CCCC2)C1)c1cc(Br)ccc1F ZINC000106891960 655113363 /nfs/dbraw/zinc/11/33/63/655113363.db2.gz IIJVGNLDPKDACG-GFCCVEGCSA-N 1 0 391.306 2.883 20 0 GFADRO Cc1cccc(C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@@H]32)c1I ZINC000272500434 655115048 /nfs/dbraw/zinc/11/50/48/655115048.db2.gz NSYMHDGIIMBIAC-OCCSQVGLSA-N 1 0 384.261 2.766 20 0 GFADRO CC[NH+]1CCN([C@H]2CCN(C(=O)Nc3ccc(Br)cc3)C2)CC1 ZINC000106937358 655115491 /nfs/dbraw/zinc/11/54/91/655115491.db2.gz KYAHOHSJBAXIQU-INIZCTEOSA-N 1 0 381.318 2.693 20 0 GFADRO O=C(Nc1cccc(Br)c1)C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000106963449 655116080 /nfs/dbraw/zinc/11/60/80/655116080.db2.gz MMVBJBSOBGDHME-AWEZNQCLSA-N 1 0 380.286 2.521 20 0 GFADRO Cc1ccc(I)c(C(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)c1 ZINC000272669249 655118548 /nfs/dbraw/zinc/11/85/48/655118548.db2.gz ILFPNHSLTVZTQC-LBPRGKRZSA-N 1 0 384.261 2.980 20 0 GFADRO O=C(Nc1ccncc1Br)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000272703381 655119813 /nfs/dbraw/zinc/11/98/13/655119813.db2.gz VFQBLFCWXVRDBV-CVEARBPZSA-N 1 0 397.317 2.734 20 0 GFADRO CO[C@@H](C)CCC(=O)Nc1cc(Br)ccc1N1CC[NH+](C)CC1 ZINC000272768053 655121049 /nfs/dbraw/zinc/12/10/49/655121049.db2.gz SJMBHDGAEYUWJM-ZDUSSCGKSA-N 1 0 384.318 2.955 20 0 GFADRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)Nc1ccc(Br)nc1 ZINC000160410773 655121428 /nfs/dbraw/zinc/12/14/28/655121428.db2.gz HBYKELACMBJBAA-CQSZACIVSA-N 1 0 397.317 2.553 20 0 GFADRO O=S(=O)(N[C@@H]1CC[N@H+](CC2CC2)C1)c1cc(Br)ccc1Cl ZINC000108403905 655132098 /nfs/dbraw/zinc/13/20/98/655132098.db2.gz GFPKEYFCXWPFIL-GFCCVEGCSA-N 1 0 393.734 2.865 20 0 GFADRO CS[C@@H]1CN(C(=O)Cc2coc(-c3cccs3)n2)C[C@H]1[NH+]1CCCC1 ZINC000273448780 655143681 /nfs/dbraw/zinc/14/36/81/655143681.db2.gz CEWMUVGPUWFUID-GDBMZVCRSA-N 1 0 377.535 2.984 20 0 GFADRO O=S(=O)(c1c(Cl)nc2ccccn21)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000170787074 655146084 /nfs/dbraw/zinc/14/60/84/655146084.db2.gz OTHUUBCGHTVOSY-AWEZNQCLSA-N 1 0 382.917 2.627 20 0 GFADRO [NH2+]=C(NCCc1ccccc1)NCc1nnc(-c2ccc(Br)cc2)[nH]1 ZINC000170914669 655147086 /nfs/dbraw/zinc/14/70/86/655147086.db2.gz QVCLLOXLWOBLSC-UHFFFAOYSA-N 1 0 399.296 2.881 20 0 GFADRO CN(C)S(=O)(=O)CCC[NH2+]C(C)(C)Cc1ccc(Br)cc1 ZINC000109818621 655152663 /nfs/dbraw/zinc/15/26/63/655152663.db2.gz BISBEJVCMNTCFK-UHFFFAOYSA-N 1 0 377.348 2.641 20 0 GFADRO Cc1nn(-c2ccc(C(=O)NC[C@@H]3CC[N@@H+](C)C3)cc2)c(C)c1Br ZINC000109849312 655153404 /nfs/dbraw/zinc/15/34/04/655153404.db2.gz LDUHIBALENYGDJ-AWEZNQCLSA-N 1 0 391.313 2.933 20 0 GFADRO O=S(=O)(C(F)F)N1CCC(C[NH2+]Cc2cccc(Br)c2)CC1 ZINC000171841667 655154444 /nfs/dbraw/zinc/15/44/44/655154444.db2.gz VTETXQAMMDRDCO-UHFFFAOYSA-N 1 0 397.285 2.803 20 0 GFADRO O=C(NCC1([NH+]2CCCCC2)CCOCC1)c1ccc(Br)cc1O ZINC000109981344 655154462 /nfs/dbraw/zinc/15/44/62/655154462.db2.gz PCDAJOCXIIKIDD-UHFFFAOYSA-N 1 0 397.313 2.920 20 0 GFADRO Cc1nn(CN2CC[C@H]([NH+]3CC=CC3)C2)c(=S)n1CCc1cccs1 ZINC000172932786 655160834 /nfs/dbraw/zinc/16/08/34/655160834.db2.gz HWHYEEPDBAQZIN-INIZCTEOSA-N 1 0 375.567 2.930 20 0 GFADRO COC(=O)CN(C)C(=O)CC[N@@H+]1CCC[C@@H]1c1ccc(Br)cc1 ZINC000111204222 655166333 /nfs/dbraw/zinc/16/63/33/655166333.db2.gz JLPFKYBMIRDCKN-OAHLLOKOSA-N 1 0 383.286 2.608 20 0 GFADRO C[C@@H]1C[C@@H](N(C)S(=O)(=O)N(C)Cc2c(F)cccc2Cl)CC[N@@H+]1C ZINC000173275979 655166511 /nfs/dbraw/zinc/16/65/11/655166511.db2.gz HOQKJNVRRUCOFY-OLZOCXBDSA-N 1 0 377.913 2.570 20 0 GFADRO CNC(=O)[C@H]1CCC[N@H+](CCOc2ccc(Cl)cc2Br)C1 ZINC000111267352 655167579 /nfs/dbraw/zinc/16/75/79/655167579.db2.gz DTHZEUUGOJPXLU-NSHDSACASA-N 1 0 375.694 2.939 20 0 GFADRO C[C@@H](O)C1CC[NH+](C[C@@H](O)COc2ccc(Cl)cc2Br)CC1 ZINC000111284408 655167593 /nfs/dbraw/zinc/16/75/93/655167593.db2.gz SNCBWAHPNUSZIP-BXUZGUMPSA-N 1 0 392.721 2.935 20 0 GFADRO CC[N@@H+]1CCCC[C@H]1CNC(=O)COc1ccc(C=O)cc1Br ZINC000173320354 655167974 /nfs/dbraw/zinc/16/79/74/655167974.db2.gz FSENEDNEXWUSIL-AWEZNQCLSA-N 1 0 383.286 2.631 20 0 GFADRO COc1ccc([C@@H](C)[NH2+][C@H]2CCN(c3cnn(C)c3)C2=O)cc1Br ZINC000111371199 655171947 /nfs/dbraw/zinc/17/19/47/655171947.db2.gz AOCNEOOKBMVJFE-ABAIWWIYSA-N 1 0 393.285 2.647 20 0 GFADRO CC[C@@](C)(O)C[NH2+]Cc1cc(I)c(OC)c(OC)c1 ZINC000111384305 655172521 /nfs/dbraw/zinc/17/25/21/655172521.db2.gz GSXKFOXLAYTARB-CQSZACIVSA-N 1 0 379.238 2.559 20 0 GFADRO C[N@@H+]1CCC[C@H]1CNC(=O)CCC[S@@](=O)c1ccc(Br)cc1 ZINC000111581774 655174103 /nfs/dbraw/zinc/17/41/03/655174103.db2.gz ANZURWLIWUBGEY-FPTDNZKUSA-N 1 0 387.343 2.547 20 0 GFADRO C[C@@H]1C[C@H](N(C)C(=O)Nc2ccc(NS(C)(=O)=O)c(Cl)c2)CC[N@@H+]1C ZINC000173555375 655174830 /nfs/dbraw/zinc/17/48/30/655174830.db2.gz DZIYTJLTHJATKC-DGCLKSJQSA-N 1 0 388.921 2.658 20 0 GFADRO CC(C)([NH2+]CCC(=O)Nc1ccccc1Br)C(=O)N1CCCC1 ZINC000839590394 661094269 /nfs/dbraw/zinc/09/42/69/661094269.db2.gz UQMQCJBNZLKNAC-UHFFFAOYSA-N 1 0 382.302 2.768 20 0 GFADRO Cn1ccc(N2CCC[C@H]([N@H+](C)CCc3ccc(Br)cc3)C2=O)n1 ZINC000173708358 655177139 /nfs/dbraw/zinc/17/71/39/655177139.db2.gz OPIXZJOCGACDDX-INIZCTEOSA-N 1 0 391.313 2.853 20 0 GFADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)Nc3cc(Br)ccc3F)C2)CC1 ZINC000111773363 655177166 /nfs/dbraw/zinc/17/71/66/655177166.db2.gz IOOJIENQBQIWJP-CQSZACIVSA-N 1 0 399.308 2.832 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)c2cnn(C)c2Br)C[N@@H+]1Cc1ccccc1 ZINC000274194026 655178214 /nfs/dbraw/zinc/17/82/14/655178214.db2.gz LDILJLIOBURQRU-TZMCWYRMSA-N 1 0 377.286 2.575 20 0 GFADRO NC(=O)c1ccsc1NC(=O)CC[NH2+][C@H](CCO)c1ccc(Cl)cc1 ZINC000839603867 661095023 /nfs/dbraw/zinc/09/50/23/661095023.db2.gz IOKDBLMSOIIVKD-CQSZACIVSA-N 1 0 381.885 2.542 20 0 GFADRO CC[N@H+](C)C[C@@H]1CCN(CC(=O)N(C)Cc2ccccc2Br)C1 ZINC000173904543 655184652 /nfs/dbraw/zinc/18/46/52/655184652.db2.gz PRCBUQFFKMZAAS-HNNXBMFYSA-N 1 0 382.346 2.681 20 0 GFADRO CCC[NH+]1CCC(N2CCN(C(=O)c3ccc(Br)o3)CC2)CC1 ZINC000112325301 655188679 /nfs/dbraw/zinc/18/86/79/655188679.db2.gz XCRSGVBAELVOPF-UHFFFAOYSA-N 1 0 384.318 2.674 20 0 GFADRO CC[NH+]1CCC(N(C)C(=O)c2csc(I)c2)CC1 ZINC000113426785 655210471 /nfs/dbraw/zinc/21/04/71/655210471.db2.gz ZJIJTCCZTDGYCC-UHFFFAOYSA-N 1 0 378.279 2.909 20 0 GFADRO C[C@H]([NH2+]C[C@@H](O)COc1ccc(Cl)cc1Br)[C@@H]1CCOC1 ZINC000274596503 655193937 /nfs/dbraw/zinc/19/39/37/655193937.db2.gz JLGGESJMQZAAHC-DMDPSCGWSA-N 1 0 378.694 2.857 20 0 GFADRO CC[NH+](CC)[C@H](CNC(=O)NCCCCCS(C)(=O)=O)c1ccsc1 ZINC000274697834 655197786 /nfs/dbraw/zinc/19/77/86/655197786.db2.gz PCQVFZKBPRBNII-MRXNPFEDSA-N 1 0 389.587 2.645 20 0 GFADRO CCCS(=O)(=O)Nc1cc(NC(=O)[C@@H](C(C)C)[NH+](C)C)c(F)cc1F ZINC000112892964 655199021 /nfs/dbraw/zinc/19/90/21/655199021.db2.gz GQBWCSQNQHCEJP-OAHLLOKOSA-N 1 0 377.457 2.641 20 0 GFADRO CCC(C)(C)[NH2+][C@H](C)C(=O)N(C)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000274805557 655202689 /nfs/dbraw/zinc/20/26/89/655202689.db2.gz NWRIJVBSDIUWKT-RISCZKNCSA-N 1 0 384.318 2.601 20 0 GFADRO O=C(Nc1ccc(Br)c(F)c1)C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000174719284 655206469 /nfs/dbraw/zinc/20/64/69/655206469.db2.gz KDDIRNPRHSKSEH-UHFFFAOYSA-N 1 0 398.276 2.614 20 0 GFADRO CCS[C@H]1CC[C@H]([N@H+](C)CC(=O)Nc2sc3c(c2C(N)=O)CCC3)C1 ZINC000839497372 661087730 /nfs/dbraw/zinc/08/77/30/661087730.db2.gz BOPNUPMYCAOSDU-RYUDHWBXSA-N 1 0 381.567 2.880 20 0 GFADRO O=C1C[C@H]([NH2+]Cc2cc(Br)ccc2OC(F)F)CN1C1CC1 ZINC000174934167 655210699 /nfs/dbraw/zinc/21/06/99/655210699.db2.gz ICWXHNYNJXFVRX-NSHDSACASA-N 1 0 375.213 2.903 20 0 GFADRO CS(=O)(=O)CC1(C[NH2+]CC2=Cc3cc(Br)ccc3OC2)CC1 ZINC000174939923 655210832 /nfs/dbraw/zinc/21/08/32/655210832.db2.gz MSWGSQJRFAPYBF-UHFFFAOYSA-N 1 0 386.311 2.639 20 0 GFADRO C[NH+](C)C1(CNC(=O)CCc2cc(Br)cs2)CCOCC1 ZINC000113990299 655216648 /nfs/dbraw/zinc/21/66/48/655216648.db2.gz CVBIRWLANJJVCG-UHFFFAOYSA-N 1 0 375.332 2.670 20 0 GFADRO CN(CCc1ccc(Br)cc1)C(=O)NCC1([NH+](C)C)CCOCC1 ZINC000114037195 655217328 /nfs/dbraw/zinc/21/73/28/655217328.db2.gz CQDXUIZGDBLRDM-UHFFFAOYSA-N 1 0 398.345 2.744 20 0 GFADRO Cc1cc(OC(F)F)c(C(=O)NC[C@@H](C(C)C)N2CC[NH+](C)CC2)s1 ZINC000114378238 655222986 /nfs/dbraw/zinc/22/29/86/655222986.db2.gz WBBMVUPBMLNNSD-ZDUSSCGKSA-N 1 0 375.485 2.660 20 0 GFADRO CC[N@H+](CC(=O)Nc1c(Cl)cc(Cl)cc1C(=O)OC)CC(C)(C)O ZINC000114487422 655224874 /nfs/dbraw/zinc/22/48/74/655224874.db2.gz PMSBRFWGRRZDRI-UHFFFAOYSA-N 1 0 377.268 2.811 20 0 GFADRO CC[NH+](CC)[C@@H](CNC(=O)NC[C@@]1(O)CCSC1)c1ccccc1Cl ZINC000176150663 655237433 /nfs/dbraw/zinc/23/74/33/655237433.db2.gz CTHVYRQLSYZJTB-WMZOPIPTSA-N 1 0 385.961 2.890 20 0 GFADRO C[C@H](CNC(=O)Cn1c(=S)[nH]nc1-c1cccs1)C[NH+]1CCCCC1 ZINC000115903241 655242818 /nfs/dbraw/zinc/24/28/18/655242818.db2.gz OVCYIQVUMRJPBD-CYBMUJFWSA-N 1 0 379.555 2.907 20 0 GFADRO O=C(NC1(c2ccc(Br)cc2)CC1)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000275646397 655245503 /nfs/dbraw/zinc/24/55/03/655245503.db2.gz NZNHZLKYYOYADC-HNNXBMFYSA-N 1 0 389.297 2.989 20 0 GFADRO CC1CC[NH+](C[C@@H](O)CNC(=O)c2cc(Cl)ccc2Br)CC1 ZINC000116451408 655247879 /nfs/dbraw/zinc/24/78/79/655247879.db2.gz CJCPLCHBOVWPCN-ZDUSSCGKSA-N 1 0 389.721 2.925 20 0 GFADRO CCOc1c(Br)cc(C(=O)NCC2CC[NH+](C)CC2)cc1OC ZINC000116514583 655249075 /nfs/dbraw/zinc/24/90/75/655249075.db2.gz PFVYRHISXSVLGD-UHFFFAOYSA-N 1 0 385.302 2.928 20 0 GFADRO C[C@@H](Sc1nncn1C)C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1 ZINC000116815979 655254242 /nfs/dbraw/zinc/25/42/42/655254242.db2.gz JQFOTORYRCJLOZ-LLVKDONJSA-N 1 0 383.905 2.528 20 0 GFADRO CCOc1cc(C[NH2+]C[C@@]2(O)CCSC2)cc(Br)c1OC ZINC000176756085 655255113 /nfs/dbraw/zinc/25/51/13/655255113.db2.gz LPWHVGFIYDANIO-HNNXBMFYSA-N 1 0 376.316 2.814 20 0 GFADRO CCO[C@@H](CC[NH+](C)C)CNC(=O)C1(c2ccc(Br)cc2)CC1 ZINC000176875316 655258355 /nfs/dbraw/zinc/25/83/55/655258355.db2.gz AWYSFEDRLWOTPH-INIZCTEOSA-N 1 0 383.330 2.954 20 0 GFADRO CN1CCN(C)[C@H](C[NH2+][C@H](c2cccc(Br)c2)C2CCOCC2)C1 ZINC000276140118 655264215 /nfs/dbraw/zinc/26/42/15/655264215.db2.gz NGRPFOWKZNWZSR-MOPGFXCFSA-N 1 0 396.373 2.752 20 0 GFADRO CN(CC[NH+](C)C)C(=O)Nc1cc(Br)cnc1OCC(F)(F)F ZINC000177035012 655265412 /nfs/dbraw/zinc/26/54/12/655265412.db2.gz AFCQOVIUYHDEHQ-UHFFFAOYSA-N 1 0 399.211 2.811 20 0 GFADRO Cc1cc(Br)ccc1C[NH2+]CCS(=O)(=O)NCc1ccccc1 ZINC000177092576 655267974 /nfs/dbraw/zinc/26/79/74/655267974.db2.gz FHONXMMZHOGFLM-UHFFFAOYSA-N 1 0 397.338 2.967 20 0 GFADRO C[NH+](C)C1CCN(CCNC(=O)c2cc3cc(Br)ccc3[nH]2)CC1 ZINC000177114923 655269093 /nfs/dbraw/zinc/26/90/93/655269093.db2.gz RZUQAEXJAPYZFS-UHFFFAOYSA-N 1 0 393.329 2.686 20 0 GFADRO C[NH+](C)C1CCN(CCNC(=O)/C=C/c2ccc(Br)cc2)CC1 ZINC000177125906 655269609 /nfs/dbraw/zinc/26/96/09/655269609.db2.gz JDRNVJRTZOSLCE-VMPITWQZSA-N 1 0 380.330 2.605 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1c(C)cc(Br)cc1C ZINC000118096848 655271537 /nfs/dbraw/zinc/27/15/37/655271537.db2.gz KLUQFEOSYDWKTC-CQSZACIVSA-N 1 0 382.302 2.605 20 0 GFADRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)Nc1cc(Br)ccc1C ZINC000118126186 655272185 /nfs/dbraw/zinc/27/21/85/655272185.db2.gz SGJRYHOPEHVPSR-CQSZACIVSA-N 1 0 382.302 2.687 20 0 GFADRO COC(=O)[C@]1(C)CC[N@H+](CC(=O)N[C@@H](C)c2ccc(Br)cc2)C1 ZINC000177433796 655276714 /nfs/dbraw/zinc/27/67/14/655276714.db2.gz XALPWPBKDCCGFT-YVEFUNNKSA-N 1 0 383.286 2.511 20 0 GFADRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)CCNC(=O)c2ccc(Br)cc2)C1 ZINC000177574799 655281900 /nfs/dbraw/zinc/28/19/00/655281900.db2.gz AYJDJSKTHQTQHJ-HOTGVXAUSA-N 1 0 396.329 2.558 20 0 GFADRO Cc1csc(C(=O)NCc2cccc(C(=O)NCC[NH+](C)C)c2)c1Cl ZINC000276658791 655282465 /nfs/dbraw/zinc/28/24/65/655282465.db2.gz WQDXWHFOSWIZPD-UHFFFAOYSA-N 1 0 379.913 2.931 20 0 GFADRO C[N@@H+]1CCC[C@H](CNC(=O)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)C1 ZINC000118897916 655283397 /nfs/dbraw/zinc/28/33/97/655283397.db2.gz PIGJAXDDGVDNAW-SNVBAGLBSA-N 1 0 377.794 2.755 20 0 GFADRO Cn1cc([C@@H]2CSCCN2C(=O)NC[C@H](c2ccsc2)[NH+](C)C)cn1 ZINC000276693953 655284061 /nfs/dbraw/zinc/28/40/61/655284061.db2.gz VSXJPSVHPOYNBT-CVEARBPZSA-N 1 0 379.555 2.584 20 0 GFADRO C[N@@H+](Cc1cc(Br)ccc1F)C[C@@H](O)COC1CCOCC1 ZINC000119097673 655290012 /nfs/dbraw/zinc/29/00/12/655290012.db2.gz GFDXCKJQYDMNNE-CQSZACIVSA-N 1 0 376.266 2.577 20 0 GFADRO C[C@H](CC(=O)N(C)C)[NH2+]CC1(c2cccc(Br)c2)CCOCC1 ZINC000177914093 655291141 /nfs/dbraw/zinc/29/11/41/655291141.db2.gz DSKSWFRXEJNPLD-CQSZACIVSA-N 1 0 383.330 2.954 20 0 GFADRO O=C(CCc1cccc(Br)c1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000178087015 655297195 /nfs/dbraw/zinc/29/71/95/655297195.db2.gz RFMYMJRHJTYCEE-INIZCTEOSA-N 1 0 381.314 2.562 20 0 GFADRO C[C@H](ON=C(N)C[N@@H+]1CCCC[C@@H]1C)C(=O)Nc1ccccc1Br ZINC000178172933 655299382 /nfs/dbraw/zinc/29/93/82/655299382.db2.gz KMRSIHHUSOTBLP-STQMWFEESA-N 1 0 397.317 2.939 20 0 GFADRO CC(=O)N1CCN(C(=O)[C@H](C)[NH2+][C@H]2CCSc3ccc(Cl)cc32)CC1 ZINC000119401895 655302905 /nfs/dbraw/zinc/30/29/05/655302905.db2.gz NHEPTDLHABJVTP-LRDDRELGSA-N 1 0 381.929 2.546 20 0 GFADRO C[NH+](C)[C@@H]1CCCN(C(=O)Cc2ccccc2I)CC1 ZINC000277098981 655303494 /nfs/dbraw/zinc/30/34/94/655303494.db2.gz CHBRUMKCMRFYHJ-CQSZACIVSA-N 1 0 386.277 2.776 20 0 GFADRO CSCC[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)NCC[C@@H](C)[NH3+] ZINC000178683941 655308485 /nfs/dbraw/zinc/30/84/85/655308485.db2.gz AWYZHIQLWLSQSI-QMTHXVAHSA-N 1 0 392.352 2.698 20 0 GFADRO COC(=O)[C@]1(NC(=O)[C@@H]2CC2(Cl)Cl)CCC[N@H+](Cc2ccccc2)C1 ZINC000119650918 655310171 /nfs/dbraw/zinc/31/01/71/655310171.db2.gz ADUKHMRUVNHDSI-YOEHRIQHSA-N 1 0 385.291 2.504 20 0 GFADRO Cc1c(Br)cc(C(=O)N2CC[N@H+](C)CC23CCCCC3)c(=O)n1C ZINC000277288835 655311226 /nfs/dbraw/zinc/31/12/26/655311226.db2.gz BDMXCIVXQPNESW-UHFFFAOYSA-N 1 0 396.329 2.547 20 0 GFADRO COc1cc(/C=C/C(=O)N2CC[N@H+](C)C[C@@H]2C(C)C)cc(Br)c1O ZINC000180048170 655321358 /nfs/dbraw/zinc/32/13/58/655321358.db2.gz MIBDZAJLBZRTDT-LLYBFZRZSA-N 1 0 397.313 2.975 20 0 GFADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)c1cc(Br)ccc1F ZINC000278909697 655326925 /nfs/dbraw/zinc/32/69/25/655326925.db2.gz SRIAHSKZFAJWBO-LBPRGKRZSA-N 1 0 385.277 2.914 20 0 GFADRO COc1cc([C@@H](C)[NH2+]CCS(=O)(=O)NC(C)C)ccc1SC(F)F ZINC000180474896 655327043 /nfs/dbraw/zinc/32/70/43/655327043.db2.gz AVNPRWSWTDBQJO-LLVKDONJSA-N 1 0 382.498 2.988 20 0 GFADRO CSC[C@@H](O)C[NH2+][C@@H](CO)c1ccc(Br)cc1C(F)(F)F ZINC000280745780 655330037 /nfs/dbraw/zinc/33/00/37/655330037.db2.gz MXCOMAQERWZDEN-CABZTGNLSA-N 1 0 388.249 2.815 20 0 GFADRO OC[C@@H]([NH2+]CCn1cccn1)c1ccc(Br)cc1C(F)(F)F ZINC000280758888 655330571 /nfs/dbraw/zinc/33/05/71/655330571.db2.gz NZKUYIPHSKOHNX-CYBMUJFWSA-N 1 0 378.192 2.988 20 0 GFADRO CC[C@H]([NH2+]C[C@@H](O)c1ccc(C)o1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000280761106 655330692 /nfs/dbraw/zinc/33/06/92/655330692.db2.gz FLCBJISUFVRFOA-LSDHHAIUSA-N 1 0 386.901 2.924 20 0 GFADRO CC[C@H]([NH2+][C@@H](C)C(=O)NC(C)(C)C)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000280765123 655330858 /nfs/dbraw/zinc/33/08/58/655330858.db2.gz FSXUFZAOBRBDDU-FZMZJTMJSA-N 1 0 389.949 2.592 20 0 GFADRO CNC(=O)C[C@@H](C)[NH2+][C@@H](CO)c1ccc(Br)cc1C(F)(F)F ZINC000280981259 655331426 /nfs/dbraw/zinc/33/14/26/655331426.db2.gz MAWGQWUUIGGQQV-PELKAZGASA-N 1 0 383.208 2.616 20 0 GFADRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3c[nH]c4ncc(Br)cc34)CC[C@H]21 ZINC000280981316 655331657 /nfs/dbraw/zinc/33/16/57/655331657.db2.gz AKTGTPRIDAGPBW-XHDPSFHLSA-N 1 0 377.286 2.882 20 0 GFADRO O=C1[C@@H](c2cccc(Br)c2)CCN1CN1CC[NH+](CC2CC2)CC1 ZINC000839970381 661120852 /nfs/dbraw/zinc/12/08/52/661120852.db2.gz SGNUSTHIARNSJS-GOSISDBHSA-N 1 0 392.341 2.750 20 0 GFADRO C[C@@H](NC(=O)CN1CC[C@@H]2COC(=O)N[C@H]2C1)c1ccc(Cl)c(Cl)c1 ZINC000281413440 655333098 /nfs/dbraw/zinc/33/30/98/655333098.db2.gz OGYJKXOREXBDEX-HCKVZZMMSA-N 1 0 386.279 2.601 20 0 GFADRO CN1CCC([NH+]2CCC(NC(=O)Nc3cncc(Br)c3)CC2)CC1 ZINC000120318017 655334965 /nfs/dbraw/zinc/33/49/65/655334965.db2.gz HQPJLEUZPRIDGI-UHFFFAOYSA-N 1 0 396.333 2.524 20 0 GFADRO C[C@H]([NH2+]C[C@]1(C)CCCS1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000120497467 655337388 /nfs/dbraw/zinc/33/73/88/655337388.db2.gz SUOXNVHWOBMPJD-YJBOKZPZSA-N 1 0 384.567 2.644 20 0 GFADRO Cc1cc(S(=O)(=O)NCC[NH2+][C@H](C)c2ccc3c(c2)CCO3)c(C)s1 ZINC000181505572 655338581 /nfs/dbraw/zinc/33/85/81/655338581.db2.gz MMYJEMKIBAYQQX-CYBMUJFWSA-N 1 0 380.535 2.929 20 0 GFADRO C[C@@H](NC(=O)N[C@@H]1COc2cc(F)c(Br)cc21)C1=CC[N@H+](C)CC1 ZINC000281868480 655339385 /nfs/dbraw/zinc/33/93/85/655339385.db2.gz KTUBZMXWAZZAQC-MEBBXXQBSA-N 1 0 398.276 2.971 20 0 GFADRO CC(=O)c1cc(S(=O)(=O)N(C)CC[C@H]([NH3+])C(C)C)ccc1Br ZINC000183193289 655349561 /nfs/dbraw/zinc/34/95/61/655349561.db2.gz ZQUGZUGVHMRZFV-HNNXBMFYSA-N 1 0 391.331 2.646 20 0 GFADRO COc1cc([C@@H](C)[NH2+][C@H]2CC[C@H](CO)CC2)ccc1S(=O)(=O)C(F)F ZINC000121414917 655349728 /nfs/dbraw/zinc/34/97/28/655349728.db2.gz NQNDMKGHQYSZSR-BZPMIXESSA-N 1 0 377.453 2.893 20 0 GFADRO COC(=O)c1cc(S(=O)(=O)NCC[C@H](C)[NH+]2CCCCC2)ccc1Cl ZINC000183294213 655350236 /nfs/dbraw/zinc/35/02/36/655350236.db2.gz OQELPZCIRJAUFV-ZDUSSCGKSA-N 1 0 388.917 2.669 20 0 GFADRO COc1cc(/C=C/C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)cc(Br)c1O ZINC000183454781 655351583 /nfs/dbraw/zinc/35/15/83/655351583.db2.gz RUPGYDKPBBTUPP-ADQTWTKMSA-N 1 0 395.297 2.777 20 0 GFADRO S=c1n2cc(Br)ccc2nn1CN1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000840013469 661124713 /nfs/dbraw/zinc/12/47/13/661124713.db2.gz XXPRSIUGIHAFFP-CYBMUJFWSA-N 1 0 380.315 2.531 20 0 GFADRO C[C@@H]([NH2+]CCS(=O)(=O)C(C)(C)C)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000183901041 655354292 /nfs/dbraw/zinc/35/42/92/655354292.db2.gz LZJVFIUVHJQVEA-HUUCEWRRSA-N 1 0 376.563 2.967 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@H](Nc2cnn(-c3ccccn3)c(=O)c2Br)C1 ZINC000292947122 655357786 /nfs/dbraw/zinc/35/77/86/655357786.db2.gz BRVDKKBPQPMQAH-QWHCGFSZSA-N 1 0 392.301 2.675 20 0 GFADRO C#CC[NH+]1CCC(C(=O)N2CCc3c(Br)ccc(F)c3C2)CC1 ZINC000184550264 655358072 /nfs/dbraw/zinc/35/80/72/655358072.db2.gz SSKYEWWFERVOOH-UHFFFAOYSA-N 1 0 379.273 2.818 20 0 GFADRO COc1ccc(O)c([C@@H](C)[NH2+]CCNS(=O)(=O)c2cccc(Cl)c2)c1 ZINC000185198731 655363094 /nfs/dbraw/zinc/36/30/94/655363094.db2.gz KERCTERMLIWZQW-GFCCVEGCSA-N 1 0 384.885 2.683 20 0 GFADRO Cc1cccc(C(=O)Nc2ccnn2CC[NH+](C)C)c1I ZINC000293975580 655363690 /nfs/dbraw/zinc/36/36/90/655363690.db2.gz GBSYEMOSUVWUDD-UHFFFAOYSA-N 1 0 398.248 2.610 20 0 GFADRO C[C@H](O)C[C@@H]1CCC[N@@H+]1CN1CC[C@@H](c2cccc(Br)c2)C1=O ZINC000840032532 661126512 /nfs/dbraw/zinc/12/65/12/661126512.db2.gz ZCRMHHOUQRHGAX-JQFCIGGWSA-N 1 0 381.314 2.958 20 0 GFADRO C[C@H]([NH2+]Cc1cccc(OCC(N)=O)c1)c1ccc(Br)cc1O ZINC000185578262 655365021 /nfs/dbraw/zinc/36/50/21/655365021.db2.gz VGGCAFCGMVYREY-NSHDSACASA-N 1 0 379.254 2.870 20 0 GFADRO C[NH+](C)CCCOC1CCN(c2ccc(I)cn2)CC1 ZINC000294141106 655365569 /nfs/dbraw/zinc/36/55/69/655365569.db2.gz ANPRLXXVIVRVFM-UHFFFAOYSA-N 1 0 389.281 2.623 20 0 GFADRO C[NH+](C)CCn1nccc1NC(=O)Cc1cn2cc(Cl)cc(Cl)c2n1 ZINC000294141857 655365594 /nfs/dbraw/zinc/36/55/94/655365594.db2.gz QVJACTVSTDYRPN-UHFFFAOYSA-N 1 0 381.267 2.580 20 0 GFADRO Ic1ccc(C[NH2+]CCc2nnc3n2CCCCC3)cc1 ZINC000296307881 655368665 /nfs/dbraw/zinc/36/86/65/655368665.db2.gz GKNXTJXBZSBAIZ-UHFFFAOYSA-N 1 0 396.276 2.941 20 0 GFADRO O=C(NC1CC[NH+](CCOc2ccc(Cl)cc2)CC1)c1c[nH]c(=S)[nH]1 ZINC000187109813 655372789 /nfs/dbraw/zinc/37/27/89/655372789.db2.gz CHFHQNOLVAWMMO-UHFFFAOYSA-N 1 0 380.901 2.625 20 0 GFADRO CC(C)C[C@@H](CNC(=O)OC(C)(C)C)[NH2+][C@H](C)C1CCS(=O)(=O)CC1 ZINC000187191977 655373106 /nfs/dbraw/zinc/37/31/06/655373106.db2.gz WIGUACKZAHDFAA-ZBFHGGJFSA-N 1 0 376.563 2.729 20 0 GFADRO C[C@H]1C[NH+](CCCNC(=O)c2cc(Br)ncc2Cl)C[C@H](C)O1 ZINC000187213247 655373107 /nfs/dbraw/zinc/37/31/07/655373107.db2.gz FEQCCHIIDSSIGE-QWRGUYRKSA-N 1 0 390.709 2.727 20 0 GFADRO C[C@H](Cc1ccccc1F)[NH2+]CC1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000188002004 655377590 /nfs/dbraw/zinc/37/75/90/655377590.db2.gz XASFLYIIWSDVMX-GFCCVEGCSA-N 1 0 382.423 2.908 20 0 GFADRO CS(=O)(=O)c1ccc([C@H](O)C[NH2+]CCc2cccc(Br)c2)cc1 ZINC000313733821 655380133 /nfs/dbraw/zinc/38/01/33/655380133.db2.gz FVJLFEMEJFXTRL-QGZVFWFLSA-N 1 0 398.322 2.718 20 0 GFADRO CC(C)(C)[NH+]1CCC(NS(=O)(=O)c2c(Cl)nc3sccn32)CC1 ZINC000322024117 655382890 /nfs/dbraw/zinc/38/28/90/655382890.db2.gz VRSJVZJNCLHWLG-UHFFFAOYSA-N 1 0 376.935 2.590 20 0 GFADRO C[C@@H]1CN(CN2CC[C@H](c3cccc(Br)c3)C2=O)C[C@H](C)[N@H+]1C ZINC000840091179 661131528 /nfs/dbraw/zinc/13/15/28/661131528.db2.gz PNSNTGTZIRKQPQ-JKIFEVAISA-N 1 0 380.330 2.747 20 0 GFADRO C[C@H]1C[C@@H](NC(=O)NOCc2ccc(F)cc2Br)C[N@@H+]1C1CC1 ZINC000189220450 655385457 /nfs/dbraw/zinc/38/54/57/655385457.db2.gz IINYTTWFJVGWJU-GXFFZTMASA-N 1 0 386.265 2.944 20 0 GFADRO O=C(c1ccn(-c2cccc(Br)c2)n1)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000333834422 655388227 /nfs/dbraw/zinc/38/82/27/655388227.db2.gz NBKKNPMFAYSADB-KRWDZBQOSA-N 1 0 375.270 2.603 20 0 GFADRO CC[N@H+](CCN1C(=O)[C@@H](c2cccc(Br)c2)N(C)C1=O)C1CC1 ZINC000349429630 655390220 /nfs/dbraw/zinc/39/02/20/655390220.db2.gz QVKFGYXUMRNLOZ-OAHLLOKOSA-N 1 0 380.286 2.869 20 0 GFADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1[nH]c2ccccc2c1Br ZINC000365307984 655392981 /nfs/dbraw/zinc/39/29/81/655392981.db2.gz BKZOSUGHVWSFPG-NEPJUHHUSA-N 1 0 378.270 2.523 20 0 GFADRO C[NH+]1CCC(n2ccc(NC(=O)c3cc(Br)c(F)cc3F)n2)CC1 ZINC000365846628 655395443 /nfs/dbraw/zinc/39/54/43/655395443.db2.gz LCPHAHDRKXTZPM-UHFFFAOYSA-N 1 0 399.239 3.443 20 0 GFADRO COC[C@H]([NH2+]C1CCC(N2CCCS2(=O)=O)CC1)c1ccc(Cl)cc1 ZINC000365891909 655395927 /nfs/dbraw/zinc/39/59/27/655395927.db2.gz YKFVQAQWWJJUNC-ABHNRTSZSA-N 1 0 386.945 2.964 20 0 GFADRO COC[C@@]1(C)CC[N@H+](Cn2ncc3c2ccc(Br)c3C(=O)OC)C1 ZINC000840106348 661133894 /nfs/dbraw/zinc/13/38/94/661133894.db2.gz UHIUTGPXKVBUML-KRWDZBQOSA-N 1 0 396.285 2.901 20 0 GFADRO CC[NH+](CC)[C@H](CNC(=O)c1cc(Br)nn1C)Cc1ccccc1 ZINC000191927138 655401449 /nfs/dbraw/zinc/40/14/49/655401449.db2.gz VUPWRBCVNXXGEC-HNNXBMFYSA-N 1 0 393.329 2.866 20 0 GFADRO O=C(NC[C@@H]1CCC[NH2+]C1)N[C@@H](CO)c1ccc(Cl)cc1C(F)(F)F ZINC000418326356 655405409 /nfs/dbraw/zinc/40/54/09/655405409.db2.gz XSVOCBCLUZFONE-YGRLFVJLSA-N 1 0 379.810 2.691 20 0 GFADRO C[C@H](NC(=O)N[C@H](CCO)c1ccccc1Br)[C@H]1CCC[NH2+]C1 ZINC000418349779 655405771 /nfs/dbraw/zinc/40/57/71/655405771.db2.gz SFWZKVXOVIJIQE-HEHGZKQESA-N 1 0 384.318 2.560 20 0 GFADRO CC(C)(COc1ncc(Cl)cc1Cl)NC(=O)NC[C@H]1CCC[NH2+]C1 ZINC000418356261 655405854 /nfs/dbraw/zinc/40/58/54/655405854.db2.gz XPCZMGNOURHVHZ-NSHDSACASA-N 1 0 375.300 2.845 20 0 GFADRO C[NH2+]CCCNS(=O)(=O)c1ccc(Br)c(Cl)c1Cl ZINC000193236668 655408994 /nfs/dbraw/zinc/40/89/94/655408994.db2.gz GTLWQJQFGAQYEN-UHFFFAOYSA-N 1 0 376.103 2.644 20 0 GFADRO CO[C@@H](CS(=O)(=O)N(CC[NH+](C)C)Cc1cccs1)c1ccccc1 ZINC000451305319 655410993 /nfs/dbraw/zinc/41/09/93/655410993.db2.gz QKLVJUNVUKVTSB-SFHVURJKSA-N 1 0 382.551 2.829 20 0 GFADRO C[C@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1cc(Br)cnc1Cl ZINC000193880707 655412998 /nfs/dbraw/zinc/41/29/98/655412998.db2.gz DWUPVGAXPAXTQJ-JTQLQIEISA-N 1 0 396.738 2.650 20 0 GFADRO COC(=O)c1cc(S(=O)(=O)N[C@H](C[NH3+])C2CCCC2)c(Cl)cc1Cl ZINC000194774360 655417484 /nfs/dbraw/zinc/41/74/84/655417484.db2.gz ZMMDPBLCCQSLTK-CYBMUJFWSA-N 1 0 395.308 2.576 20 0 GFADRO CS(=O)(=O)N[C@@H]1CCCC[C@@H]1C[NH2+]Cc1cc(Br)cs1 ZINC000512898930 655418208 /nfs/dbraw/zinc/41/82/08/655418208.db2.gz LXPLANAZTFLQAO-ZWNOBZJWSA-N 1 0 381.361 2.708 20 0 GFADRO CC[N@H+](C[C@]1(C)CCN(C(=O)OC(C)(C)C)C1)[C@@H](C)CS(=O)(=O)CC ZINC000195172139 655419297 /nfs/dbraw/zinc/41/92/97/655419297.db2.gz XNJDXTFOAVBIRR-YJBOKZPZSA-N 1 0 376.563 2.779 20 0 GFADRO CN(C)CC[N@H+](C)CCCNC(=O)CCc1nc2cc(Cl)ccc2s1 ZINC000518003481 655419739 /nfs/dbraw/zinc/41/97/39/655419739.db2.gz XHUUQOSFJBBCBN-UHFFFAOYSA-N 1 0 382.961 2.882 20 0 GFADRO COc1ccc(C[NH2+][C@@H]2CCOC3(CCOCC3)C2)c(Br)c1O ZINC000518018156 655419934 /nfs/dbraw/zinc/41/99/34/655419934.db2.gz RMFKQNGZVFJNLG-CYBMUJFWSA-N 1 0 386.286 2.981 20 0 GFADRO O=S1(=O)CC[C@@H](N[C@@H]2CC[NH2+]C23CCC3)c2cc(Br)ccc21 ZINC000530214884 655420487 /nfs/dbraw/zinc/42/04/87/655420487.db2.gz DHGNHRNPBFQGLM-UKRRQHHQSA-N 1 0 385.327 2.542 20 0 GFADRO COC[C@@H]([NH2+]CC(=O)Nc1c(Cl)cc(Cl)cc1C(=O)OC)C(C)C ZINC000541597225 655421444 /nfs/dbraw/zinc/42/14/44/655421444.db2.gz OIGQPSLSMUYGTN-CYBMUJFWSA-N 1 0 377.268 2.979 20 0 GFADRO O=C(NCC1CC[NH2+]CC1)c1ccc(Br)cc1Br ZINC000232483944 655423749 /nfs/dbraw/zinc/42/37/49/655423749.db2.gz QDIJSTMZPDGTFF-UHFFFAOYSA-N 1 0 376.092 2.941 20 0 GFADRO C[C@H]1CN(C(=O)NCCNc2ncc(C(F)(F)F)cc2Cl)CC[C@H]1[NH3+] ZINC000566057833 655424380 /nfs/dbraw/zinc/42/43/80/655424380.db2.gz ZHHDDOIKVYFMPG-JOYOIKCWSA-N 1 0 379.814 2.544 20 0 GFADRO O=S(=O)(CC[NH2+]C1Cc2ccccc2C1)c1cccc(Br)c1 ZINC000574150898 655425599 /nfs/dbraw/zinc/42/55/99/655425599.db2.gz KXMXISZJPUUXRM-UHFFFAOYSA-N 1 0 380.307 2.980 20 0 GFADRO C[C@H](Oc1cccc(Cl)c1Cl)C(=O)N1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000574201410 655426390 /nfs/dbraw/zinc/42/63/90/655426390.db2.gz QRGOTUBIGDKMEX-STQMWFEESA-N 1 0 387.307 2.975 20 0 GFADRO O[C@@H]1C[C@H]([C@H]2CCCOC2)[N@H+](Cc2nc3cc(Br)ccc3o2)C1 ZINC000574269935 655427628 /nfs/dbraw/zinc/42/76/28/655427628.db2.gz UDTMYWGBQWLZLJ-NJZAAPMLSA-N 1 0 381.270 2.952 20 0 GFADRO COc1ccc(C[NH2+][C@@H]2CCC[C@H]3CN(C(C)=O)C[C@H]32)c(Br)c1O ZINC000574309498 655428619 /nfs/dbraw/zinc/42/86/19/655428619.db2.gz DRSVMOLEMKRCFI-RRFJBIMHSA-N 1 0 397.313 2.900 20 0 GFADRO COCC[N@H+]1[C@H](C)CN([C@H](C)C(=O)Nc2cccc(Br)c2)C[C@@H]1C ZINC000246769382 655430538 /nfs/dbraw/zinc/43/05/38/655430538.db2.gz RDOIYXDJGOLVFW-QLFBSQMISA-N 1 0 398.345 2.817 20 0 GFADRO CCC[N@H+](CC)C[C@@H](C)NC(=O)N[C@@H](CO)c1cccc(Br)c1 ZINC000575795485 655437216 /nfs/dbraw/zinc/43/72/16/655437216.db2.gz XJIWCJIHCWYSAJ-CJNGLKHVSA-N 1 0 386.334 2.902 20 0 GFADRO C[C@@H]1C[C@H](NS(=O)(=O)/C=C\c2ccc(Br)cc2)C[N@@H+]1C1CC1 ZINC000255319749 655438329 /nfs/dbraw/zinc/43/83/29/655438329.db2.gz CYEJMKSTAMNBTL-PKEXHIIZSA-N 1 0 385.327 2.964 20 0 GFADRO C[C@@H]1C[C@@H](NS(=O)(=O)/C=C\c2ccc(Br)cc2)C[N@@H+]1C1CC1 ZINC000255319751 655438393 /nfs/dbraw/zinc/43/83/93/655438393.db2.gz CYEJMKSTAMNBTL-SOFBIIEWSA-N 1 0 385.327 2.964 20 0 GFADRO C[C@@H]1C[C@@H](NS(=O)(=O)/C=C\c2cccc(Br)c2)C[N@@H+]1C1CC1 ZINC000255622207 655439836 /nfs/dbraw/zinc/43/98/36/655439836.db2.gz FGXHCZIIHNDHIQ-RZYVVHCUSA-N 1 0 385.327 2.964 20 0 GFADRO COc1ccc(S(=O)(=O)N2C[C@@H]([NH3+])Cc3ccccc32)cc1Br ZINC000261747273 655442247 /nfs/dbraw/zinc/44/22/47/655442247.db2.gz OOABWILXCBHREW-LBPRGKRZSA-N 1 0 397.294 2.536 20 0 GFADRO [NH3+]C1(c2noc([C@@H]3CC(=O)N(c4cccc(Br)c4)C3)n2)CCC1 ZINC000261809992 655442489 /nfs/dbraw/zinc/44/24/89/655442489.db2.gz PSMCCZAOISQPMV-SNVBAGLBSA-N 1 0 377.242 2.691 20 0 GFADRO CCCCOC[C@H](O)C[NH2+][C@@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000576150799 655444391 /nfs/dbraw/zinc/44/43/91/655444391.db2.gz YVKULPLSDDJWGW-UKRRQHHQSA-N 1 0 375.296 2.866 20 0 GFADRO Cc1nn(C)c(C)c1CCCNC(=O)[C@](C)([NH3+])c1ccc(Br)cc1 ZINC000576343473 655445958 /nfs/dbraw/zinc/44/59/58/655445958.db2.gz SMCSDKGBJCRKAX-GOSISDBHSA-N 1 0 393.329 2.722 20 0 GFADRO CCOC(=O)COc1c(Br)cc(C)cc1CN1C[C@@H](C[NH3+])C[C@H]1C ZINC000576400104 655446783 /nfs/dbraw/zinc/44/67/83/655446783.db2.gz WEMDZMYGFIFYRI-ZIAGYGMSSA-N 1 0 399.329 2.869 20 0 GFADRO C[NH2+]CC1CCN(S(=O)(=O)c2ccc(Cl)cc2Br)CC1 ZINC000262800879 655447130 /nfs/dbraw/zinc/44/71/30/655447130.db2.gz VLQXYNRSVTUIGL-UHFFFAOYSA-N 1 0 381.723 2.723 20 0 GFADRO C[NH2+][C@H]1CCCN(S(=O)(=O)Cc2cc(Cl)ccc2Br)C1 ZINC000576464244 655447907 /nfs/dbraw/zinc/44/79/07/655447907.db2.gz CYAHUBYKGFOBLM-LBPRGKRZSA-N 1 0 381.723 2.616 20 0 GFADRO CC[NH+]1CCC(CNC(=O)N(C)C[C@@H](O)c2cccc(Br)c2)CC1 ZINC000840285645 661151566 /nfs/dbraw/zinc/15/15/66/661151566.db2.gz SKJKPEIAUCTGSZ-QGZVFWFLSA-N 1 0 398.345 2.856 20 0 GFADRO COC[C@@]1(CNC(=O)[C@@H](Oc2ccccc2Br)C(C)C)CCC[NH2+]1 ZINC000576628084 655450012 /nfs/dbraw/zinc/45/00/12/655450012.db2.gz MQWMDTGYAKMMFY-WMZOPIPTSA-N 1 0 399.329 2.737 20 0 GFADRO C[C@H]1CSc2ccc(Br)cc2[C@H]1[NH2+]CCCn1cc(CO)nn1 ZINC000577029309 655456460 /nfs/dbraw/zinc/45/64/60/655456460.db2.gz ZSXDSCWRCRKXFO-ZBEGNZNMSA-N 1 0 397.342 2.996 20 0 GFADRO O=C(NCc1cccc(Cl)c1Cl)C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000577081539 655457275 /nfs/dbraw/zinc/45/72/75/655457275.db2.gz NKHRZFIAEDLYEK-UHFFFAOYSA-N 1 0 384.307 2.743 20 0 GFADRO COc1ccc(COCC[NH2+][C@@H](C)Cn2cc(Br)ccc2=O)cc1 ZINC000577421148 655459282 /nfs/dbraw/zinc/45/92/82/655459282.db2.gz KAFDCSYBWAIWQY-AWEZNQCLSA-N 1 0 395.297 2.814 20 0 GFADRO O=C(NCCSCCCO)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000264272933 655460198 /nfs/dbraw/zinc/46/01/98/655460198.db2.gz NTWOLNXHPVUIQW-UHFFFAOYSA-N 1 0 383.583 2.515 20 0 GFADRO CN(C)CC[N@H+](C)CCCN(C)C(=O)CCc1ccc(Br)cc1 ZINC000577538182 655461428 /nfs/dbraw/zinc/46/14/28/655461428.db2.gz KVYKRZSDHQOQDM-UHFFFAOYSA-N 1 0 384.362 2.724 20 0 GFADRO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(I)c(F)c1 ZINC000264392845 655462644 /nfs/dbraw/zinc/46/26/44/655462644.db2.gz IGJVJBAPQQSGPM-SNVBAGLBSA-N 1 0 388.224 2.644 20 0 GFADRO CCN1CC[NH+](C[C@@H](C)CNc2ncc3scc(Br)c3n2)CC1 ZINC000577650267 655463870 /nfs/dbraw/zinc/46/38/70/655463870.db2.gz KZLMKQFVQZUTIQ-LBPRGKRZSA-N 1 0 398.374 3.139 20 0 GFADRO Cc1c(C(=O)N2CCC[C@@H]([NH+](C)C)C2)nnn1-c1cccc(Br)c1 ZINC000264449153 655463977 /nfs/dbraw/zinc/46/39/77/655463977.db2.gz NXAZQKWPPSTQNG-OAHLLOKOSA-N 1 0 392.301 2.504 20 0 GFADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)NC1(c2ccc(Cl)c(Cl)c2)CC1 ZINC000264450244 655464040 /nfs/dbraw/zinc/46/40/40/655464040.db2.gz YJGUDPLEVOXXRK-ZDUSSCGKSA-N 1 0 385.339 2.918 20 0 GFADRO O=C(NCc1sccc1Br)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000577914670 655469314 /nfs/dbraw/zinc/46/93/14/655469314.db2.gz MJSWEYHWBBFAPS-QGZVFWFLSA-N 1 0 395.322 2.764 20 0 GFADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)CSCc1ccc(Cl)cc1Cl ZINC000264750670 655469562 /nfs/dbraw/zinc/46/95/62/655469562.db2.gz MBBMVPWTOVXBOU-AWEZNQCLSA-N 1 0 376.353 2.589 20 0 GFADRO Cc1sc2nc(CS[C@H](C)C(=O)N[C@H](C)CCC[NH3+])[nH]c(=O)c2c1C ZINC000578011853 655471149 /nfs/dbraw/zinc/47/11/49/655471149.db2.gz CJDONVFHIUIZGA-BXKDBHETSA-N 1 0 382.555 2.879 20 0 GFADRO O=C(N[C@H](Cc1ccccn1)c1ccc(Br)cc1)N1CC[NH2+]CC1 ZINC000578244352 655475031 /nfs/dbraw/zinc/47/50/31/655475031.db2.gz DRXCDOMOVVJLQA-QGZVFWFLSA-N 1 0 389.297 2.743 20 0 GFADRO CC(C)Sc1c(Cl)cccc1NC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000578380745 655477494 /nfs/dbraw/zinc/47/74/94/655477494.db2.gz GHPXOZWDPAFNQH-DGCLKSJQSA-N 1 0 382.917 2.616 20 0 GFADRO CC[C@H]([NH3+])CNC(=O)c1ccc(OCc2cc(C)no2)c(Br)c1 ZINC000578442482 655479168 /nfs/dbraw/zinc/47/91/68/655479168.db2.gz SBUJSLOPNCFITC-LBPRGKRZSA-N 1 0 382.258 2.792 20 0 GFADRO OCc1ccc(C[NH2+]C[C@@H](O)COc2ccc(Br)cc2)cc1F ZINC000578499785 655480413 /nfs/dbraw/zinc/48/04/13/655480413.db2.gz ZTOFQCMIDUEDEZ-OAHLLOKOSA-N 1 0 384.245 2.610 20 0 GFADRO [NH3+]CCC1CCN(S(=O)(=O)c2cccc(Cl)c2Br)CC1 ZINC000578634839 655483538 /nfs/dbraw/zinc/48/35/38/655483538.db2.gz LBAWPNTVUUFDBU-UHFFFAOYSA-N 1 0 381.723 2.852 20 0 GFADRO CC[NH+](CC)CCCNC(=O)N(C)C[C@H](O)c1cccc(Br)c1 ZINC000840240493 661149146 /nfs/dbraw/zinc/14/91/46/661149146.db2.gz KIZHJSPANNRJPQ-INIZCTEOSA-N 1 0 386.334 2.856 20 0 GFADRO C[C@H](C[NH+]1CCCCC1)NC(=O)N(C)C[C@@H](O)c1cccc(Br)c1 ZINC000840253324 661149727 /nfs/dbraw/zinc/14/97/27/661149727.db2.gz LPXFAHRUDRTHGJ-RHSMWYFYSA-N 1 0 398.345 2.998 20 0 GFADRO CC[NH+](CC)[C@H](C)CNC(=O)N(C)C[C@H](O)c1cccc(Br)c1 ZINC000840253745 661149777 /nfs/dbraw/zinc/14/97/77/661149777.db2.gz RCGAAXYPUOQWFO-CJNGLKHVSA-N 1 0 386.334 2.854 20 0 GFADRO C[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCC[C@@H]1c1ccccc1I ZINC000579232859 655496215 /nfs/dbraw/zinc/49/62/15/655496215.db2.gz ILZZZZPJHSYVOH-YWPYICTPSA-N 1 0 384.261 2.953 20 0 GFADRO C[C@@H](NC(=O)N1CCC[C@@H]1C[NH+]1CCCC1)c1ncc(Br)cn1 ZINC000579324318 655497997 /nfs/dbraw/zinc/49/79/97/655497997.db2.gz PFQUYGOGJNQBGA-TZMCWYRMSA-N 1 0 382.306 2.570 20 0 GFADRO C[C@H](CNC(=O)[C@@H](c1ccc(Cl)cc1Cl)N1CCOCC1)C[NH+](C)C ZINC000579505518 655500558 /nfs/dbraw/zinc/50/05/58/655500558.db2.gz IVZWHXOPHZHESH-CXAGYDPISA-N 1 0 388.339 2.681 20 0 GFADRO CN(CC[NH2+]CCC(=O)Nc1ccc(Br)cc1)CC(F)(F)F ZINC000579828188 655504455 /nfs/dbraw/zinc/50/44/55/655504455.db2.gz JHDKBISAYMYFSO-UHFFFAOYSA-N 1 0 382.224 2.861 20 0 GFADRO CCOC(=O)COc1c(Br)cc(C)cc1CN1CCC[C@@H]1C[NH2+]C ZINC000579837727 655504644 /nfs/dbraw/zinc/50/46/44/655504644.db2.gz OAKNIJWATDCUPL-OAHLLOKOSA-N 1 0 399.329 2.883 20 0 GFADRO O[C@@H](C[NH2+]CCc1cn2c(n1)SCC2)COc1ccc(Cl)cc1Cl ZINC000579944830 655505890 /nfs/dbraw/zinc/50/58/90/655505890.db2.gz JOCBUFZKALNSHZ-ZDUSSCGKSA-N 1 0 388.320 2.868 20 0 GFADRO C[C@@H]1C[N@H+](C)CCN1c1ccc(Br)cc1NC(=O)c1cnns1 ZINC000580041002 655507258 /nfs/dbraw/zinc/50/72/58/655507258.db2.gz WDSYMPNMCZVYGF-SNVBAGLBSA-N 1 0 396.314 2.693 20 0 GFADRO COC1(CC[NH2+]C[C@H](O)COc2cc(F)cc(Br)c2)CCC1 ZINC000580064966 655507694 /nfs/dbraw/zinc/50/76/94/655507694.db2.gz FDAABCDSXSPZQC-AWEZNQCLSA-N 1 0 376.266 2.877 20 0 GFADRO O=S(=O)(CC[NH+]1CCCC1)NCCc1ccc(Br)cc1Cl ZINC000580349663 655511388 /nfs/dbraw/zinc/51/13/88/655511388.db2.gz NZULPDLFOWGGBR-UHFFFAOYSA-N 1 0 395.750 2.660 20 0 GFADRO COCC[N@@H+]1CC[C@H](NC(=O)CCCCOc2ccc(Br)cc2)C1 ZINC000595463174 655512591 /nfs/dbraw/zinc/51/25/91/655512591.db2.gz KHHBCZLMZYHVHV-INIZCTEOSA-N 1 0 399.329 2.835 20 0 GFADRO C[C@@]1(NC(=O)Nc2cc(Cl)ccc2I)CC[NH2+]C1 ZINC000596125320 655513931 /nfs/dbraw/zinc/51/39/31/655513931.db2.gz NVLPKSWMBUCDIX-GFCCVEGCSA-N 1 0 379.629 2.818 20 0 GFADRO COC(=O)c1cc(Br)cc(C(=O)N2CCC3(C2)CC[NH+](C)CC3)c1 ZINC000597667042 655521339 /nfs/dbraw/zinc/52/13/39/655521339.db2.gz OKVVQTRBXNZYOM-UHFFFAOYSA-N 1 0 395.297 2.794 20 0 GFADRO O=C(NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cc(Cl)ncc1Cl ZINC000702626640 655521687 /nfs/dbraw/zinc/52/16/87/655521687.db2.gz KHZIVUXFOZVJFO-SFHVURJKSA-N 1 0 380.275 2.755 20 0 GFADRO CC(C)(CNS(C)(=O)=O)[NH2+]Cc1cc(Br)c(Cl)s1 ZINC000708245382 655522310 /nfs/dbraw/zinc/52/23/10/655522310.db2.gz NLPJSVNAQHEOFZ-UHFFFAOYSA-N 1 0 375.741 2.581 20 0 GFADRO CN1C[C@@H](CC[NH2+]Cc2ncc(Br)cc2Br)CC1=O ZINC000723535313 655525531 /nfs/dbraw/zinc/52/55/31/655525531.db2.gz FVBJXZHSOBLPHH-VIFPVBQESA-N 1 0 391.107 2.565 20 0 GFADRO C[NH+](C)C[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Cl)nc1Cl ZINC000725825393 655527189 /nfs/dbraw/zinc/52/71/89/655527189.db2.gz LDIBGYVXCHJYFU-ZDUSSCGKSA-N 1 0 388.320 2.840 20 0 GFADRO COC(=O)N1CCC([NH2+]CCC(=O)Nc2ccc(Br)cc2)CC1 ZINC000725844067 655527859 /nfs/dbraw/zinc/52/78/59/655527859.db2.gz KVOLQOFZTQBHEX-UHFFFAOYSA-N 1 0 384.274 2.598 20 0 GFADRO FC(F)(F)c1cccc(CNC(=S)NCCCC[NH+]2CCOCC2)c1 ZINC000726464557 655535090 /nfs/dbraw/zinc/53/50/90/655535090.db2.gz OFWKPFLVOYTFOP-UHFFFAOYSA-N 1 0 375.460 2.782 20 0 GFADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]CCc1cccc(F)c1 ZINC000726707690 655537318 /nfs/dbraw/zinc/53/73/18/655537318.db2.gz AKZUZZLRGCRRCA-OAHLLOKOSA-N 1 0 385.892 2.676 20 0 GFADRO O=S(=O)(/C=C/c1ccccc1Br)NC1CC[NH+](C2CC2)CC1 ZINC000727442508 655545107 /nfs/dbraw/zinc/54/51/07/655545107.db2.gz DPBBEKHICRLYCJ-FMIVXFBMSA-N 1 0 385.327 2.966 20 0 GFADRO O=S(=O)(/C=C/c1ccccc1Cl)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000727456650 655545910 /nfs/dbraw/zinc/54/59/10/655545910.db2.gz BDRSVTVWOJJFQX-LEHPZIBWSA-N 1 0 384.929 2.827 20 0 GFADRO COCC[N@H+](C)CCOc1cccc(CNC(=O)c2scnc2Cl)c1 ZINC000727744027 655548974 /nfs/dbraw/zinc/54/89/74/655548974.db2.gz AVVZMWBDTYSUHY-UHFFFAOYSA-N 1 0 383.901 2.684 20 0 GFADRO CC[NH+]1CCC(N(C)C(=O)c2ccc(S(=O)(=O)C(F)(F)F)cc2)CC1 ZINC000727750164 655549165 /nfs/dbraw/zinc/54/91/65/655549165.db2.gz VJBAQLKHVAJRPI-UHFFFAOYSA-N 1 0 378.416 2.536 20 0 GFADRO CC/C=C(\C)C(=O)N1CSC[C@@H]1C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000728019061 655551684 /nfs/dbraw/zinc/55/16/84/655551684.db2.gz RAQGTCLVLYLTSG-GEJCVMBQSA-N 1 0 381.567 2.725 20 0 GFADRO Cc1c(Cl)cccc1NC(=S)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000728451751 655555682 /nfs/dbraw/zinc/55/56/82/655555682.db2.gz SESHRMMOFBRQKF-UHFFFAOYSA-N 1 0 380.945 2.585 20 0 GFADRO Cc1csc([C@](O)(CC(=O)N2CCCC[C@@H]2C[NH+](C)C)C(F)(F)F)n1 ZINC000729250137 655563462 /nfs/dbraw/zinc/56/34/62/655563462.db2.gz AGVUSVQGBYZPRJ-IUODEOHRSA-N 1 0 379.448 2.534 20 0 GFADRO C[N@H+](CCNC(=O)c1cn(-c2ccccc2Br)nn1)C1CCCC1 ZINC000729439010 655564640 /nfs/dbraw/zinc/56/46/40/655564640.db2.gz LHQSBYJDYZMOCP-UHFFFAOYSA-N 1 0 392.301 2.634 20 0 GFADRO C[C@H](Cc1cccc(Br)c1)NC(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000729497794 655565184 /nfs/dbraw/zinc/56/51/84/655565184.db2.gz CLMAEUDUDYQHAX-COXVUDFISA-N 1 0 396.329 2.543 20 0 GFADRO C[NH+]1CCC(NC(=S)NCC2(c3ccccc3Cl)CCOCC2)CC1 ZINC000729943904 655570488 /nfs/dbraw/zinc/57/04/88/655570488.db2.gz SXLZXOSJSVOVBV-UHFFFAOYSA-N 1 0 381.973 2.947 20 0 GFADRO CN(C[C@@H](O)c1cccc(Br)c1)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000840303535 661152842 /nfs/dbraw/zinc/15/28/42/661152842.db2.gz WKQBQFUYEZJCSH-DLBZAZTESA-N 1 0 396.329 2.608 20 0 GFADRO CC(C)[N@H+](C)CC1CCN(C(=O)c2sccc2S(=O)(=O)C(F)F)CC1 ZINC000731003726 655580561 /nfs/dbraw/zinc/58/05/61/655580561.db2.gz XCZQEWNBWODMSQ-UHFFFAOYSA-N 1 0 394.509 2.937 20 0 GFADRO CC(C)OCC(=[NH2+])NOCc1noc(Cc2ccc(Br)cc2)n1 ZINC000732193720 655592748 /nfs/dbraw/zinc/59/27/48/655592748.db2.gz FFUDCWSCHCAHKS-UHFFFAOYSA-N 1 0 383.246 2.846 20 0 GFADRO C[N@H+](CCC(=O)Nc1ccccc1Cl)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000732815045 655602759 /nfs/dbraw/zinc/60/27/59/655602759.db2.gz VYINIFSHKMIGCH-ZDUSSCGKSA-N 1 0 377.794 2.764 20 0 GFADRO CCOCCNC(=S)N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000733905477 655623191 /nfs/dbraw/zinc/62/31/91/655623191.db2.gz SMUFPWVPTFJLFH-OAHLLOKOSA-N 1 0 375.460 2.780 20 0 GFADRO O=C(NC1CC[NH+](C[C@H]2CCCO2)CC1)c1cc(Br)ccc1O ZINC000734242487 655628540 /nfs/dbraw/zinc/62/85/40/655628540.db2.gz GHTBIJJUKSQIEH-CQSZACIVSA-N 1 0 383.286 2.528 20 0 GFADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)c3sccc3SC(F)F)CC2)C1 ZINC000734454639 655630913 /nfs/dbraw/zinc/63/09/13/655630913.db2.gz ZEKAIABFAUKFST-LBPRGKRZSA-N 1 0 375.510 2.915 20 0 GFADRO CC(C)OCC(=[NH2+])NOCc1nc(-c2cc(Br)cs2)no1 ZINC000736299458 655661529 /nfs/dbraw/zinc/66/15/29/655661529.db2.gz NMAYLURSKKPWDY-UHFFFAOYSA-N 1 0 375.248 2.984 20 0 GFADRO C[NH+](C)[C@H](CNc1ccc(S(N)(=O)=O)c2cccnc12)c1ccsc1 ZINC000736591946 655664915 /nfs/dbraw/zinc/66/49/15/655664915.db2.gz MRURXFKCLQSWRO-OAHLLOKOSA-N 1 0 376.507 2.659 20 0 GFADRO Ic1cnn(CN2CCC[N@H+](Cc3ccccc3)CC2)c1 ZINC000738022744 655683772 /nfs/dbraw/zinc/68/37/72/655683772.db2.gz NQIBFSSLYILDKY-UHFFFAOYSA-N 1 0 396.276 2.653 20 0 GFADRO O=c1ccn(C[N@@H+]2CCC[C@H](C3OCCO3)C2)c2c(Br)cccc12 ZINC000738148284 655686110 /nfs/dbraw/zinc/68/61/10/655686110.db2.gz KIINISNIDOPQIA-ZDUSSCGKSA-N 1 0 393.281 2.806 20 0 GFADRO Cc1nc(Cc2nn(CN3CC[C@@H](C[NH+]4CCCC4)C3)c(=S)o2)cs1 ZINC000739875678 655694995 /nfs/dbraw/zinc/69/49/95/655694995.db2.gz HQARYPDBWKAXNB-AWEZNQCLSA-N 1 0 379.555 2.937 20 0 GFADRO CC(C)[N@H+](C)CC1CCN(C(=O)c2cc(S(C)(=O)=O)ccc2Cl)CC1 ZINC000740818827 655699593 /nfs/dbraw/zinc/69/95/93/655699593.db2.gz PGKGQCVZSVUUEZ-UHFFFAOYSA-N 1 0 386.945 2.936 20 0 GFADRO COc1ccc2nc(Cl)ccc2c1S(=O)(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000742308293 655714952 /nfs/dbraw/zinc/71/49/52/655714952.db2.gz FRQCMBCUSXJEBI-NEPJUHHUSA-N 1 0 383.901 2.658 20 0 GFADRO COC(=O)CC[N@H+](CCOc1cccc(Br)c1)C1CCOCC1 ZINC000743871660 655732386 /nfs/dbraw/zinc/73/23/86/655732386.db2.gz PWUCRMYYPNIAJJ-UHFFFAOYSA-N 1 0 386.286 2.872 20 0 GFADRO CCC1(C[NH2+]Cc2c(C)nn([C@@H]3CCS(=O)(=O)C3)c2Cl)CCOCC1 ZINC000744450281 655740280 /nfs/dbraw/zinc/74/02/80/655740280.db2.gz QIWBNVUXFHNKIL-CQSZACIVSA-N 1 0 389.949 2.501 20 0 GFADRO C[C@H](NC(=S)NCC[N@@H+]1CCCOCC1)c1ccc(Br)cc1 ZINC000840743209 661182038 /nfs/dbraw/zinc/18/20/38/661182038.db2.gz HJZUGWNZBZXHKT-ZDUSSCGKSA-N 1 0 386.359 2.697 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2S(=O)(=O)/C=C\c1ccccc1Cl ZINC000746701937 655766766 /nfs/dbraw/zinc/76/67/66/655766766.db2.gz LOLDYIIGKWOFGX-HRNIAWPHSA-N 1 0 384.929 2.824 20 0 GFADRO Cc1csc([C@](O)(CC(=O)NC[C@H](C)[NH+]2CCCCC2)C(F)(F)F)n1 ZINC000746832320 655767736 /nfs/dbraw/zinc/76/77/36/655767736.db2.gz CINYUTXVXHHBFC-SWLSCSKDSA-N 1 0 379.448 2.582 20 0 GFADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)C1(c2ccc(Br)cc2)CCC1 ZINC000747231075 655774625 /nfs/dbraw/zinc/77/46/25/655774625.db2.gz FJOGISBQOFQABB-IRXDYDNUSA-N 1 0 393.325 2.850 20 0 GFADRO CC[C@H](C)[N@H+](C)CCNS(=O)(=O)c1cc(C(=O)OC)c(Cl)cc1Cl ZINC000747265867 655775505 /nfs/dbraw/zinc/77/55/05/655775505.db2.gz ASIAQFLIYCYKEU-JTQLQIEISA-N 1 0 397.324 2.789 20 0 GFADRO COC(=O)c1cc(S(=O)(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)c(Cl)cc1Cl ZINC000747280259 655775961 /nfs/dbraw/zinc/77/59/61/655775961.db2.gz XIJCCJJIGMOCRO-NXEZZACHSA-N 1 0 395.308 2.541 20 0 GFADRO OCCC[N@@H+]1CCC[C@@H]1CNC(=S)Nc1cccc(OC(F)(F)F)c1 ZINC000840777580 661186711 /nfs/dbraw/zinc/18/67/11/661186711.db2.gz WASXBLRCXADRGO-CYBMUJFWSA-N 1 0 377.432 2.718 20 0 GFADRO CCOC(=O)N1CCC[N@H+](C[C@@H](O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000748434888 655790800 /nfs/dbraw/zinc/79/08/00/655790800.db2.gz ALQNNKOROLTBPD-CYBMUJFWSA-N 1 0 391.295 2.897 20 0 GFADRO C[NH+](C)[C@]1(CNC(=O)NC[C@H](O)c2c(Cl)cccc2Cl)CCSC1 ZINC000748645472 655793195 /nfs/dbraw/zinc/79/31/95/655793195.db2.gz AJIDMGVFCFNXTM-BBRMVZONSA-N 1 0 392.352 2.763 20 0 GFADRO CCc1c(Cl)nc(CS(C)(=O)=O)nc1NC[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000749091745 655799751 /nfs/dbraw/zinc/79/97/51/655799751.db2.gz IGOIEJGRLOBRKD-QWHCGFSZSA-N 1 0 388.965 2.769 20 0 GFADRO C[C@@H]([NH2+]CC(C)(C)[C@@H]1COCC12OCCO2)c1ncc(Br)s1 ZINC000840799737 661189710 /nfs/dbraw/zinc/18/97/10/661189710.db2.gz WFJVBNQMZVXMJK-MNOVXSKESA-N 1 0 391.331 2.972 20 0 GFADRO O=C(Cc1cccc(Br)c1)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000750728480 655816553 /nfs/dbraw/zinc/81/65/53/655816553.db2.gz PYTZNXWLXMIQRG-QGZVFWFLSA-N 1 0 381.314 2.751 20 0 GFADRO Cc1cc(Br)ncc1NC(=O)NC[C@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000754462603 655868391 /nfs/dbraw/zinc/86/83/91/655868391.db2.gz LQCLTRRTJKVTGN-OAHLLOKOSA-N 1 0 398.349 2.546 20 0 GFADRO CC[C@H]([NH2+]CCS(=O)(=O)C1CC1)c1ccc(I)cc1 ZINC000840883850 661198527 /nfs/dbraw/zinc/19/85/27/661198527.db2.gz XQWGCZXGJNYQTN-AWEZNQCLSA-N 1 0 393.290 2.909 20 0 GFADRO C[NH+]1CCC([C@@H]2CCN(CN3C(=S)N=NC3Cc3cccs3)C2)CC1 ZINC000755776866 655888762 /nfs/dbraw/zinc/88/87/62/655888762.db2.gz DFIDEQUBKGUKBD-OAHLLOKOSA-N 1 0 377.583 2.840 20 0 GFADRO Cc1ccc(N2N=C(Br)C[C@H]2C(=O)NC[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000756041425 655893659 /nfs/dbraw/zinc/89/36/59/655893659.db2.gz LNYHBUJHGXADDJ-ZBFHGGJFSA-N 1 0 393.329 2.740 20 0 GFADRO Cc1ccc(N2N=C(Br)C[C@@H]2C(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000756097815 655894793 /nfs/dbraw/zinc/89/47/93/655894793.db2.gz CYEQTSGZZPLHQW-IIAWOOMASA-N 1 0 393.329 2.881 20 0 GFADRO CCC[N@@H+](CC(=O)OCC)Cn1ccc(=O)c2cccc(Br)c21 ZINC000756908706 655906658 /nfs/dbraw/zinc/90/66/58/655906658.db2.gz IBNICTGPMMZCTL-UHFFFAOYSA-N 1 0 381.270 2.997 20 0 GFADRO COC1CC[NH+](C2(CNC(=O)c3ccnc(Br)c3)CCCC2)CC1 ZINC000758225639 655926631 /nfs/dbraw/zinc/92/66/31/655926631.db2.gz AKSVUEXODPLMLD-UHFFFAOYSA-N 1 0 396.329 2.998 20 0 GFADRO C[NH+](C)CCOc1ccc(NCc2ccc(S(N)(=O)=O)c(Cl)c2)cc1 ZINC000840899087 661204413 /nfs/dbraw/zinc/20/44/13/661204413.db2.gz LBQTUNCNWPQBMV-UHFFFAOYSA-N 1 0 383.901 2.540 20 0 GFADRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(S(=O)(=O)c2ccc(Br)o2)C1 ZINC000759052556 655945928 /nfs/dbraw/zinc/94/59/28/655945928.db2.gz VANUNSMPNQBFIW-CQSZACIVSA-N 1 0 399.310 2.937 20 0 GFADRO CNC(=O)COc1cccc(C[NH2+]C[C@@H](O)c2ccc(Cl)cc2Cl)c1 ZINC000759063256 655946308 /nfs/dbraw/zinc/94/63/08/655946308.db2.gz AFNDLJRVBNVLBY-QGZVFWFLSA-N 1 0 383.275 2.941 20 0 GFADRO Cn1nc(Br)cc1C(=O)OCCCOCCC[NH+]1CCCCC1 ZINC000759514766 655955969 /nfs/dbraw/zinc/95/59/69/655955969.db2.gz ILVQFTLOQJGTGT-UHFFFAOYSA-N 1 0 388.306 2.622 20 0 GFADRO C[C@H](Cc1ccccc1Br)NC(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000759750818 655962341 /nfs/dbraw/zinc/96/23/41/655962341.db2.gz UGQHSDYXHGILTE-VNQPRFMTSA-N 1 0 396.329 2.543 20 0 GFADRO C[C@H](Cc1ccccc1Br)NC(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000759750814 655962444 /nfs/dbraw/zinc/96/24/44/655962444.db2.gz UGQHSDYXHGILTE-BMFZPTHFSA-N 1 0 396.329 2.543 20 0 GFADRO C[C@H](Cc1ccccc1Br)NC(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000759750817 655962468 /nfs/dbraw/zinc/96/24/68/655962468.db2.gz UGQHSDYXHGILTE-KBMXLJTQSA-N 1 0 396.329 2.543 20 0 GFADRO O=C(N[C@H]1CC[N@H+](CC2CC2)C1)c1cnn(-c2ccccc2)c1Br ZINC000760254406 655973715 /nfs/dbraw/zinc/97/37/15/655973715.db2.gz DYUMLBQEHBOLDG-AWEZNQCLSA-N 1 0 389.297 2.849 20 0 GFADRO O=C(CCCC[NH+]1CCCC1)NC[C@@H](CO)Cc1ccc(Br)cc1 ZINC000760573842 655985652 /nfs/dbraw/zinc/98/56/52/655985652.db2.gz IRPVOGBBIHWDOT-KRWDZBQOSA-N 1 0 397.357 2.982 20 0 GFADRO C[NH+]1CCC2(CCN2C(=O)C2=Cc3cc(Br)ccc3OC2)CC1 ZINC000762252646 656037497 /nfs/dbraw/zinc/03/74/97/656037497.db2.gz WNYFSALPSQAXMH-UHFFFAOYSA-N 1 0 377.282 2.922 20 0 GFADRO COC1CC[NH+](C(C)(C)CNC(=O)N[C@@H]2CC[C@@H]3SCCS[C@H]23)CC1 ZINC000762573060 656049539 /nfs/dbraw/zinc/04/95/39/656049539.db2.gz NISUDOXJJUWMPB-OWCLPIDISA-N 1 0 387.615 2.555 20 0 GFADRO C[C@H]([NH2+][C@H]1CCC[C@H](S(C)(=O)=O)C1)c1cc(Br)ncc1F ZINC000762762643 656058326 /nfs/dbraw/zinc/05/83/26/656058326.db2.gz MKTKCBOJSDMDHJ-DCAQKATOSA-N 1 0 379.295 2.990 20 0 GFADRO Cc1c([C@@H](C)[NH2+]CCc2ccnn2C)nnn1-c1cccc(Br)c1 ZINC000762779339 656058680 /nfs/dbraw/zinc/05/86/80/656058680.db2.gz UJXVFNVGLLOQNN-GFCCVEGCSA-N 1 0 389.301 2.965 20 0 GFADRO O=C(N[C@@H]1CC[C@@H]2SCCS[C@@H]12)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000763181424 656074444 /nfs/dbraw/zinc/07/44/44/656074444.db2.gz UXERUAHJPDUMCY-MHORFTMASA-N 1 0 377.579 2.789 20 0 GFADRO CCN(CC)C(=O)C[NH2+]Cc1cn(-c2ccc(Br)cc2)nc1C ZINC000763465637 656083705 /nfs/dbraw/zinc/08/37/05/656083705.db2.gz LXAAYNIRBUXANA-UHFFFAOYSA-N 1 0 379.302 2.901 20 0 GFADRO [NH3+]C1(CNC(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)CCCCCC1 ZINC000841013179 661226836 /nfs/dbraw/zinc/22/68/36/661226836.db2.gz MLNYIRXETDKFCO-UHFFFAOYSA-N 1 0 375.441 2.856 20 0 GFADRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)Nc3cc4c(cc3Br)OCCO4)C[C@@H]21 ZINC000841016653 661228081 /nfs/dbraw/zinc/22/80/81/661228081.db2.gz WDWYTOFKXLSBDD-GMXVVIOVSA-N 1 0 396.285 2.811 20 0 GFADRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NS(=O)(=O)/C=C/c1cccc(Br)c1 ZINC000765208190 656137047 /nfs/dbraw/zinc/13/70/47/656137047.db2.gz KXHMFLNOTPEJTG-ASWLPBJDSA-N 1 0 385.327 2.822 20 0 GFADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)c1ccc(Cl)nc1C(F)(F)F ZINC000766895269 656187647 /nfs/dbraw/zinc/18/76/47/656187647.db2.gz QSCBHXMLIKWNJR-NSHDSACASA-N 1 0 378.826 2.510 20 0 GFADRO [NH3+][C@@H]1CCC[C@H](NC(=O)Nc2cnc(Br)c(Br)c2)C1 ZINC000841142042 661237220 /nfs/dbraw/zinc/23/72/20/661237220.db2.gz LYDOGMRUYWNTIR-SFYZADRCSA-N 1 0 392.095 2.998 20 0 GFADRO [NH3+]C[C@@H]1CCCCN1C(=O)Nc1cnc(Br)c(Br)c1 ZINC000841142503 661237684 /nfs/dbraw/zinc/23/76/84/661237684.db2.gz QOCGLUIXXFZQLV-VIFPVBQESA-N 1 0 392.095 2.952 20 0 GFADRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2Cn2c3cc(Br)ccc3oc2=O)C1 ZINC000768505977 656240477 /nfs/dbraw/zinc/24/04/77/656240477.db2.gz ZUZQKQWYRIOLJQ-GXTWGEPZSA-N 1 0 380.286 2.731 20 0 GFADRO O=C(NC[C@@H]1CCCC[NH2+]1)C(=O)Nc1cccc(Cl)c1SC(F)F ZINC000841159785 661240190 /nfs/dbraw/zinc/24/01/90/661240190.db2.gz MHONVLBOMXVNBY-VIFPVBQESA-N 1 0 377.844 2.852 20 0 GFADRO O=C(NCC[C@@H]1CC[NH2+]C1)C(=O)Nc1cccc(Cl)c1SC(F)F ZINC000841168289 661240989 /nfs/dbraw/zinc/24/09/89/661240989.db2.gz CVEJQEHSAGESEL-VIFPVBQESA-N 1 0 377.844 2.709 20 0 GFADRO O=S(=O)(/C=C\c1cccc(Cl)c1)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000768826584 656253299 /nfs/dbraw/zinc/25/32/99/656253299.db2.gz GBRBEMKZNXYAJU-MEVIEEELSA-N 1 0 384.929 2.827 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2S(=O)(=O)/C=C\c1cccc(Cl)c1 ZINC000768863813 656257270 /nfs/dbraw/zinc/25/72/70/656257270.db2.gz AJUQVJKJMWDKJW-GNQFCQHOSA-N 1 0 384.929 2.824 20 0 GFADRO [NH3+]C[C@H]1CC[C@H](NC(=O)C(=O)Nc2ccc3cc(Br)ccc3c2)C1 ZINC000841261797 661250379 /nfs/dbraw/zinc/25/03/79/661250379.db2.gz VYMMATWWDKIDSX-NHYWBVRUSA-N 1 0 390.281 2.784 20 0 GFADRO Cc1cc(F)c(Br)cc1NC(=O)C(=O)N(C)C1CCC([NH3+])CC1 ZINC000841190054 661243217 /nfs/dbraw/zinc/24/32/17/661243217.db2.gz YMIAVQJWPWFBIK-UHFFFAOYSA-N 1 0 386.265 2.563 20 0 GFADRO O=C(Nc1cccc(Cl)c1SC(F)F)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000841212727 661244695 /nfs/dbraw/zinc/24/46/95/661244695.db2.gz GJYJRCNTIQDKAM-INIZCTEOSA-N 1 0 389.855 2.805 20 0 GFADRO O=C(NCC1=CC[NH2+]CC1)C(=O)Nc1cccc(Cl)c1SC(F)F ZINC000841214963 661244880 /nfs/dbraw/zinc/24/48/80/661244880.db2.gz GEPRBLJLVWPDQM-UHFFFAOYSA-N 1 0 375.828 2.629 20 0 GFADRO CC[NH+](CC)CCN(Cc1ccccc1)S(=O)(=O)c1cnc(Cl)n1C ZINC000769405918 656274720 /nfs/dbraw/zinc/27/47/20/656274720.db2.gz UJVXZAAYMZQDFV-UHFFFAOYSA-N 1 0 384.933 2.606 20 0 GFADRO CC[NH+](CC)CCN(CC(C)C)C(=O)c1nccn2c(Br)cnc12 ZINC000769706258 656286712 /nfs/dbraw/zinc/28/67/12/656286712.db2.gz PMAWEDWRWZSVAS-UHFFFAOYSA-N 1 0 396.333 2.932 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CN(C(=O)Nc2ccc(OCC(F)(F)F)c(Cl)c2)CCO1 ZINC000841231609 661246642 /nfs/dbraw/zinc/24/66/42/661246642.db2.gz PXIOIFAKUIOKJD-RNCFNFMXSA-N 1 0 381.782 2.861 20 0 GFADRO O=S(=O)(Cc1cc(Cl)ccc1F)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000769900319 656298987 /nfs/dbraw/zinc/29/89/87/656298987.db2.gz PRHZKRAVGSAJFL-INIZCTEOSA-N 1 0 390.908 2.542 20 0 GFADRO O=C(NC[C@H]1CCC[NH2+]C1)Nc1cc(C(F)(F)F)cc(Br)n1 ZINC000841241221 661247814 /nfs/dbraw/zinc/24/78/14/661247814.db2.gz HIQSLAROUCIQDN-QMMMGPOBSA-N 1 0 381.196 2.984 20 0 GFADRO O=C(Nc1cccc(Cl)c1SC(F)F)C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000841248686 661249037 /nfs/dbraw/zinc/24/90/37/661249037.db2.gz FOOAQNFSIHIFAE-KOLCDFICSA-N 1 0 389.855 2.804 20 0 GFADRO CCOC(=O)c1nn(C)cc1C[NH2+]CCc1ccc(Br)cc1F ZINC000770652264 656325880 /nfs/dbraw/zinc/32/58/80/656325880.db2.gz GUEDYNYFCTWFQZ-UHFFFAOYSA-N 1 0 384.249 2.831 20 0 GFADRO Cc1ccsc1-c1nsc(NC(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)n1 ZINC000771268374 656344610 /nfs/dbraw/zinc/34/46/10/656344610.db2.gz IGJUUIUELBHNMT-NEPJUHHUSA-N 1 0 379.511 2.560 20 0 GFADRO C[C@H]([NH2+][C@H]1CCO[C@]2(CCOC2)C1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000773151011 656401532 /nfs/dbraw/zinc/40/15/32/656401532.db2.gz PFIKMOZWCBQFCG-RVSPLBMKSA-N 1 0 375.437 2.672 20 0 GFADRO CC[N@H+](C)C[C@@H]1CCN(Cn2c(=O)oc3cc(Br)c(F)cc32)C1 ZINC000773319224 656411610 /nfs/dbraw/zinc/41/16/10/656411610.db2.gz ZWSIEEKNPDVKPC-NSHDSACASA-N 1 0 386.265 2.727 20 0 GFADRO CC[N@H+](CCC1CCN(S(=O)(=O)c2cn(C)c(Cl)n2)CC1)CC(C)C ZINC000773379287 656441894 /nfs/dbraw/zinc/44/18/94/656441894.db2.gz RGQUFHGZIYBGRB-UHFFFAOYSA-N 1 0 390.981 2.842 20 0 GFADRO O=C(NCc1cnc(Br)cn1)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000773508694 656454608 /nfs/dbraw/zinc/45/46/08/656454608.db2.gz INCKXHUXXZTXEZ-OAHLLOKOSA-N 1 0 375.270 2.520 20 0 GFADRO COC[C@H](C)OC[C@H](O)C[N@@H+]1CCC[C@@H]1Cc1ccc(Br)cc1 ZINC000773525101 656455503 /nfs/dbraw/zinc/45/55/03/656455503.db2.gz JNTJZMDUKXFYGO-BMGDILEWSA-N 1 0 386.330 2.868 20 0 GFADRO Cc1nc(Br)ccc1NC(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000774072297 656488015 /nfs/dbraw/zinc/48/80/15/656488015.db2.gz LQRMUSPJNYNXGM-AWEZNQCLSA-N 1 0 397.317 2.917 20 0 GFADRO CN(CCN(C)S(=O)(=O)/C=C/c1ccccc1Cl)C1CC[NH+](C)CC1 ZINC000774747127 656551844 /nfs/dbraw/zinc/55/18/44/656551844.db2.gz WQEBKKYKZYOUFA-XNTDXEJSSA-N 1 0 385.961 2.598 20 0 GFADRO CS(=O)(=O)[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](O)c1ccc(OC(F)(F)F)cc1 ZINC000775380423 656634354 /nfs/dbraw/zinc/63/43/54/656634354.db2.gz INEUFVURXAGRFN-SOUVJXGZSA-N 1 0 381.416 2.564 20 0 GFADRO CS[C@@H]1CN(C[C@@H](O)c2ccc(F)c(Br)c2)C[C@H]1[NH+](C)C ZINC000775646459 656659383 /nfs/dbraw/zinc/65/93/83/656659383.db2.gz HETJFWARJTVGFY-RBSFLKMASA-N 1 0 377.323 2.599 20 0 GFADRO O=C1C[C@H]([C@H]2CCCC[N@H+]2C[C@@H](O)c2ccc(F)c(Br)c2)CN1 ZINC000775645280 656659466 /nfs/dbraw/zinc/65/94/66/656659466.db2.gz AQEIMYDRLJFPSO-APHBMKBZSA-N 1 0 385.277 2.612 20 0 GFADRO Cc1nc(NC(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)ccc1Br ZINC000775779485 656680559 /nfs/dbraw/zinc/68/05/59/656680559.db2.gz DPJGNERTWQRIDK-AWEZNQCLSA-N 1 0 397.317 2.917 20 0 GFADRO C[C@H]1CN(C(=O)C[NH2+][C@H](c2cc(F)cc(Br)c2)C2CC2)CCO1 ZINC000775876556 656687484 /nfs/dbraw/zinc/68/74/84/656687484.db2.gz YURMDZVURMVHQG-GTNSWQLSSA-N 1 0 385.277 2.876 20 0 GFADRO Cc1ncsc1/C=C\C(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000777239101 656815478 /nfs/dbraw/zinc/81/54/78/656815478.db2.gz GAVFFPYMLGEEEX-ARJAWSKDSA-N 1 0 377.432 2.578 20 0 GFADRO COc1cc(Br)ccc1CNC(=S)NCC1CC[NH+](C)CC1 ZINC000777470506 656825291 /nfs/dbraw/zinc/82/52/91/656825291.db2.gz IRHQIAAWBXLPTF-UHFFFAOYSA-N 1 0 386.359 2.764 20 0 GFADRO O=C1[C@@H]2CSCN2C(=O)N1CC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000777642350 656831153 /nfs/dbraw/zinc/83/11/53/656831153.db2.gz WEAHOSADMWGSTM-INIZCTEOSA-N 1 0 379.913 2.889 20 0 GFADRO C[NH+](C)[C@H](CNS(=O)(=O)c1c(Cl)ccnc1Cl)Cc1ccccc1 ZINC000777953909 656846094 /nfs/dbraw/zinc/84/60/94/656846094.db2.gz DDXNNAIMZCKGNV-ZDUSSCGKSA-N 1 0 388.320 2.840 20 0 GFADRO COCCS(=O)(=O)CCC[NH2+][C@H](C)c1nc2ccccc2n1C(F)F ZINC000781924704 657090130 /nfs/dbraw/zinc/09/01/30/657090130.db2.gz FDHQDBCEPHXMTJ-GFCCVEGCSA-N 1 0 375.441 2.533 20 0 GFADRO COC(=O)Cc1ccccc1C[NH2+][C@H](CO)c1ccc(Br)cc1 ZINC000782074901 657100182 /nfs/dbraw/zinc/10/01/82/657100182.db2.gz AYLFBMSUQQBUNJ-QGZVFWFLSA-N 1 0 378.266 2.988 20 0 GFADRO C[NH+]1CCN(c2ccc(Br)cc2NC(=O)c2cccc(F)n2)CC1 ZINC000783576698 657243162 /nfs/dbraw/zinc/24/31/62/657243162.db2.gz SZTOMVLOEPRGPK-UHFFFAOYSA-N 1 0 393.260 2.987 20 0 GFADRO Cn1nc(Br)cc1CNc1cccc(C[NH+]2CCC(O)CC2)c1 ZINC000785472273 657366525 /nfs/dbraw/zinc/36/65/25/657366525.db2.gz VXMGDDNVSSTESA-UHFFFAOYSA-N 1 0 379.302 2.751 20 0 GFADRO C[C@H]([NH2+]Cc1cc(Br)nn1C)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000785475787 657367091 /nfs/dbraw/zinc/36/70/91/657367091.db2.gz SNVGYYAUQWCKMH-YOEHRIQHSA-N 1 0 393.329 2.562 20 0 GFADRO Cc1cnc(Br)cc1NC(=O)N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC000785976343 657398380 /nfs/dbraw/zinc/39/83/80/657398380.db2.gz OOFFIPZYIUEOSV-CYBMUJFWSA-N 1 0 397.317 2.870 20 0 GFADRO CCCCCC[N@H+](CCN1CCOCC1)Cc1cc(Br)nn1C ZINC000787128284 657519472 /nfs/dbraw/zinc/51/94/72/657519472.db2.gz DPTUFYMEWCFJPR-UHFFFAOYSA-N 1 0 387.366 2.897 20 0 GFADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000787683032 657586660 /nfs/dbraw/zinc/58/66/60/657586660.db2.gz GVAYXUKAZNCFJV-SJKOYZFVSA-N 1 0 387.307 2.739 20 0 GFADRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNS(=O)(=O)c2cnc(Cl)c(F)c2)C1 ZINC000787920941 657622520 /nfs/dbraw/zinc/62/25/20/657622520.db2.gz ZXYZCQUYQZKAES-CHWSQXEVSA-N 1 0 377.913 2.911 20 0 GFADRO C[C@H]1C[C@H](C)C[NH+](CCCCNS(=O)(=O)c2cnc(Cl)c(F)c2)C1 ZINC000787920943 657622973 /nfs/dbraw/zinc/62/29/73/657622973.db2.gz ZXYZCQUYQZKAES-STQMWFEESA-N 1 0 377.913 2.911 20 0 GFADRO O=C(NC1CC[NH+](Cc2ccc(F)cc2)CC1)c1cc(Br)n[nH]1 ZINC000788288696 657691068 /nfs/dbraw/zinc/69/10/68/657691068.db2.gz RNYDRBDJFAQQIM-UHFFFAOYSA-N 1 0 381.249 2.706 20 0 GFADRO C[NH+](C)CCNC(=S)N[C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1 ZINC000788684992 657773708 /nfs/dbraw/zinc/77/37/08/657773708.db2.gz FUJXSXMJGXYUNE-CYBMUJFWSA-N 1 0 375.369 2.988 20 0 GFADRO O[C@H](C[NH2+]Cc1ccc(Br)cc1N1CCOCC1)c1ccco1 ZINC000788961130 657803232 /nfs/dbraw/zinc/80/32/32/657803232.db2.gz QDTSFXFDMKITHF-MRXNPFEDSA-N 1 0 381.270 2.702 20 0 GFADRO CCc1cc(C[NH2+]Cc2ccc(Br)cc2N2CCOCC2)[nH]n1 ZINC000788963895 657804057 /nfs/dbraw/zinc/80/40/57/657804057.db2.gz NHRBRDMSJPQPEE-UHFFFAOYSA-N 1 0 379.302 2.861 20 0 GFADRO COc1cc([C@@H](C)[NH2+]CCOC(F)(F)F)ccc1S(=O)(=O)C(F)F ZINC000788980029 657805847 /nfs/dbraw/zinc/80/58/47/657805847.db2.gz KFNJRSNSOIQXII-MRVPVSSYSA-N 1 0 377.331 2.879 20 0 GFADRO CC(C)(C)OC(=O)N[C@@H]1CC(=O)N(CN2CC[C@@]3(C)[C@@H](C2)C3(Cl)Cl)C1 ZINC000789490311 657856622 /nfs/dbraw/zinc/85/66/22/657856622.db2.gz ZKDBCFHZWPAFFB-HSMVNMDESA-N 1 0 392.327 2.585 20 0 GFADRO CC(C)(C)[C@@H](O)C[C@@H](CO)[NH2+]Cc1ccccc1I ZINC000790618900 658003022 /nfs/dbraw/zinc/00/30/22/658003022.db2.gz JWTHVWAZWJUKTQ-JSGCOSHPSA-N 1 0 377.266 2.539 20 0 GFADRO NC(=O)COc1ccc(C[NH2+][C@H](c2cncc(Br)c2)C2CC2)cc1 ZINC000790622642 658003646 /nfs/dbraw/zinc/00/36/46/658003646.db2.gz LGZWQQVKESXXPO-SFHVURJKSA-N 1 0 390.281 2.949 20 0 GFADRO C[C@@H]1CCN(C(=O)c2cc(Br)n[nH]2)CC[N@@H+]1Cc1ccccc1 ZINC000791376182 658088299 /nfs/dbraw/zinc/08/82/99/658088299.db2.gz TXNCVAHXPOIONW-CYBMUJFWSA-N 1 0 377.286 2.909 20 0 GFADRO CC(C)[NH+]1CCN(CCCOC(=O)c2cccc(Br)c2O)CC1 ZINC000791865171 658195669 /nfs/dbraw/zinc/19/56/69/658195669.db2.gz PCZWUJPUTDYLOL-UHFFFAOYSA-N 1 0 385.302 2.728 20 0 GFADRO COC(=O)[C@H]1CC[C@H]([NH2+]Cc2ccc(Br)cc2N2CCOCC2)C1 ZINC000792201961 658249885 /nfs/dbraw/zinc/24/98/85/658249885.db2.gz MFUYTTDGWXRQOH-BBRMVZONSA-N 1 0 397.313 2.717 20 0 GFADRO COc1ccc(Cl)cc1NC(=S)NC[C@@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000792667841 658307860 /nfs/dbraw/zinc/30/78/60/658307860.db2.gz BDEFWAYMWLKYTM-INIZCTEOSA-N 1 0 384.977 2.907 20 0 GFADRO CC(C)(C)OC(=O)NCC[C@@H](O)C[NH2+]Cc1cc(F)cc(Br)c1 ZINC000792959475 658335421 /nfs/dbraw/zinc/33/54/21/658335421.db2.gz MKFPBRDWVUNGCS-CQSZACIVSA-N 1 0 391.281 2.954 20 0 GFADRO Brc1cnn(CCCC[NH2+]Cc2cnn(-c3ccccc3)n2)c1 ZINC000793207638 658371666 /nfs/dbraw/zinc/37/16/66/658371666.db2.gz PZFBLJWLZFBNPF-UHFFFAOYSA-N 1 0 375.274 2.796 20 0 GFADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)Cc1sc(SC(F)F)nc1C ZINC000793433882 658396297 /nfs/dbraw/zinc/39/62/97/658396297.db2.gz GOLWNMRGMJFOCC-LLVKDONJSA-N 1 0 379.498 2.536 20 0 GFADRO Cc1nc(SC(F)F)sc1CC(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000793965506 658465394 /nfs/dbraw/zinc/46/53/94/658465394.db2.gz GXHPSXSBSBUOEL-LLVKDONJSA-N 1 0 393.525 2.926 20 0 GFADRO Cc1ccc(NC(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)nc1Br ZINC000794353408 658521284 /nfs/dbraw/zinc/52/12/84/658521284.db2.gz ATFNFKZVAZCIBE-CYBMUJFWSA-N 1 0 385.306 2.775 20 0 GFADRO O=c1oc2cccc(Br)c2n1CN1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000794625638 658580872 /nfs/dbraw/zinc/58/08/72/658580872.db2.gz IQMIBZWDQHMOSC-CYBMUJFWSA-N 1 0 380.286 2.875 20 0 GFADRO C[C@H]1OCC[C@]12C[N@H+](Cn1ccc(=O)c3cccc(Br)c31)CCO2 ZINC000794662693 658593272 /nfs/dbraw/zinc/59/32/72/658593272.db2.gz OXLDRGSUILTNDP-ACJLOTCBSA-N 1 0 393.281 2.601 20 0 GFADRO C[C@@H](NCC[N@@H+]1CCC[C@H]1C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000794804246 658615072 /nfs/dbraw/zinc/61/50/72/658615072.db2.gz UILBWLLUTSABQZ-GHMZBOCLSA-N 1 0 380.341 2.776 20 0 GFADRO C[C@H](Cc1cnccn1)[NH2+][C@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000794807596 658617296 /nfs/dbraw/zinc/61/72/96/658617296.db2.gz ZQGKGTNNLJILJB-NXEZZACHSA-N 1 0 389.308 2.713 20 0 GFADRO C[C@@H](CCO)[NH2+]C[C@@H]1CCCN1Cc1ccc(I)cc1 ZINC000794842636 658623006 /nfs/dbraw/zinc/62/30/06/658623006.db2.gz RSDQEONEZCJJDC-BBRMVZONSA-N 1 0 388.293 2.616 20 0 GFADRO COCC[NH+](CCOC)C1CCN(C(=S)N[C@@H](C)c2cccs2)CC1 ZINC000795143623 658690506 /nfs/dbraw/zinc/69/05/06/658690506.db2.gz KMDAGMOISPCEDE-HNNXBMFYSA-N 1 0 385.599 2.743 20 0 GFADRO CC[C@@H]([NH2+][C@H](C)Cc1cnccn1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000795787537 658851178 /nfs/dbraw/zinc/85/11/78/658851178.db2.gz RDRSAFUSWWNNPZ-MLGOLLRUSA-N 1 0 382.917 2.710 20 0 GFADRO CS(=O)(=O)N[C@@H]1CCCC[C@H]1C[NH2+]Cc1ccc(CSC(F)F)o1 ZINC000796490520 658919507 /nfs/dbraw/zinc/91/95/07/658919507.db2.gz VQPBBQAXSAHAIS-SMDDNHRTSA-N 1 0 382.498 2.933 20 0 GFADRO CCc1nnc(NC(=O)[C@H](C)[C@H](C)[NH2+]Cc2c(CC)nn(C)c2Cl)s1 ZINC000796528678 658922416 /nfs/dbraw/zinc/92/24/16/658922416.db2.gz JAPWRCYSGWWSJT-ZJUUUORDSA-N 1 0 384.937 2.803 20 0 GFADRO OC[C@@H]([NH2+]CCC1OCCO1)c1ccc(Br)cc1C(F)(F)F ZINC000796572049 658923513 /nfs/dbraw/zinc/92/35/13/658923513.db2.gz DQPGPQLRWSEAFZ-GFCCVEGCSA-N 1 0 384.192 2.854 20 0 GFADRO CCOC(=O)C(F)(F)[C@H]1CCC[C@@H]([NH2+]CCn2cc(Br)cn2)C1 ZINC000797119218 658983095 /nfs/dbraw/zinc/98/30/95/658983095.db2.gz SNUUXPHIZXTVTR-WCQYABFASA-N 1 0 394.260 2.992 20 0 GFADRO CC1=C(Br)CN(CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000797528942 659032075 /nfs/dbraw/zinc/03/20/75/659032075.db2.gz ARMUUESGMAYWPS-QGZVFWFLSA-N 1 0 380.330 2.780 20 0 GFADRO CC1=C(Br)CN(C(=O)c2ccc(CN3CC[NH+](C)CC3)cc2)CC1 ZINC000797778811 659050121 /nfs/dbraw/zinc/05/01/21/659050121.db2.gz CLIADVUNRUNBQC-UHFFFAOYSA-N 1 0 392.341 2.949 20 0 GFADRO CC(C)[C@H](C(=O)OCc1cc(Cl)cc(S(N)(=O)=O)c1)[NH+]1CCCCC1 ZINC000798623952 659128235 /nfs/dbraw/zinc/12/82/35/659128235.db2.gz YAHXEDIYBAQCGZ-MRXNPFEDSA-N 1 0 388.917 2.541 20 0 GFADRO Cc1nn(CCOC(=O)[C@@H](C(C)C)[NH+](C)C)c2ncc(Br)cc12 ZINC000798839841 659149435 /nfs/dbraw/zinc/14/94/35/659149435.db2.gz IRHGZEUOQXGTOW-CQSZACIVSA-N 1 0 383.290 2.632 20 0 GFADRO NC(=O)NC(=O)OCCC[NH+]1CCC(c2cccc(Br)c2)CC1 ZINC000799200048 659172679 /nfs/dbraw/zinc/17/26/79/659172679.db2.gz XCFXXCFUHCMOKX-UHFFFAOYSA-N 1 0 384.274 2.824 20 0 GFADRO COc1ccc(Cl)cc1C[NH2+]CCNS(=O)(=O)c1ccc(F)cc1F ZINC000799346202 659183487 /nfs/dbraw/zinc/18/34/87/659183487.db2.gz YXDVHPNWBFIFTR-UHFFFAOYSA-N 1 0 390.839 2.695 20 0 GFADRO O=C(OCCC[NH+]1CCCCC1)c1sccc1S(=O)(=O)N1CCCC1 ZINC000800126080 659273451 /nfs/dbraw/zinc/27/34/51/659273451.db2.gz KQJPCSXVJHNNMN-UHFFFAOYSA-N 1 0 386.539 2.565 20 0 GFADRO O=C(OCCC[NH+]1CCCC1)[C@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000800128355 659273624 /nfs/dbraw/zinc/27/36/24/659273624.db2.gz IAZMZKKEEWFWGV-AWEZNQCLSA-N 1 0 395.297 2.831 20 0 GFADRO C[C@H]1CN(CCOC(=O)Cc2c[nH]c3cc(Br)ccc23)CCO1 ZINC000800185951 659287783 /nfs/dbraw/zinc/28/77/83/659287783.db2.gz QQLMJZYSBHXXQL-LBPRGKRZSA-N 1 0 381.270 2.737 20 0 GFADRO Cc1cc(Br)cc(C[NH2+][C@H]2CCC[C@@H]2CNS(C)(=O)=O)c1 ZINC000800309341 659300318 /nfs/dbraw/zinc/30/03/18/659300318.db2.gz HYYKWYYOQHZCBZ-HIFRSBDPSA-N 1 0 375.332 2.565 20 0 GFADRO Cc1cc(Br)cc(C[NH2+][C@@H]2CCC[C@@H]2CNS(C)(=O)=O)c1 ZINC000800309342 659300355 /nfs/dbraw/zinc/30/03/55/659300355.db2.gz HYYKWYYOQHZCBZ-UKRRQHHQSA-N 1 0 375.332 2.565 20 0 GFADRO C[C@@H](Cn1cc(Br)cn1)[NH2+]CCCNC(=O)/C=C/c1ccccc1 ZINC000800504901 659313670 /nfs/dbraw/zinc/31/36/70/659313670.db2.gz HDRHJPZZRWBFGD-HVHJFMEUSA-N 1 0 391.313 2.843 20 0 GFADRO Cc1nn(C)c(Br)c1C(=O)NC[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC000801089117 659367322 /nfs/dbraw/zinc/36/73/22/659367322.db2.gz DUOOEUUIDNBPKO-AWEZNQCLSA-N 1 0 379.302 2.832 20 0 GFADRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@@H](O)c1cccc(Br)c1 ZINC000801754403 659422670 /nfs/dbraw/zinc/42/26/70/659422670.db2.gz FZDOTDSOSBWQBB-CKEIUWERSA-N 1 0 398.345 2.902 20 0 GFADRO Cc1nc(SC(F)F)sc1CC(=O)OC[C@H]1C[N@H+](C(C)C)CCO1 ZINC000802138296 659449411 /nfs/dbraw/zinc/44/94/11/659449411.db2.gz DTLZVIZYFHNRES-LLVKDONJSA-N 1 0 380.482 2.961 20 0 GFADRO O=S(=O)(C1CC1)N1CCC[N@H+](Cn2ccc(=S)c3ccccc32)CC1 ZINC000802745712 659504865 /nfs/dbraw/zinc/50/48/65/659504865.db2.gz KQWDSHGBCBHMTQ-UHFFFAOYSA-N 1 0 377.535 2.828 20 0 GFADRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(S(=O)(=O)c2cnc(Cl)c(F)c2)C1 ZINC000804963040 659704086 /nfs/dbraw/zinc/70/40/86/659704086.db2.gz ODXBAAUNDVIVCN-XQQFMLRXSA-N 1 0 375.897 2.900 20 0 GFADRO CN(CC(F)(F)Br)C(=O)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000807862436 659867625 /nfs/dbraw/zinc/86/76/25/659867625.db2.gz AJCYXYUXQUAYKF-CYBMUJFWSA-N 1 0 376.245 2.740 20 0 GFADRO Cc1nc(Cl)ccc1S(=O)(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000808534611 659897299 /nfs/dbraw/zinc/89/72/99/659897299.db2.gz RLAKHFRYMPPDFF-UHFFFAOYSA-N 1 0 380.901 2.596 20 0 GFADRO CON(C)C(=O)CC[N@H+](CCc1ccc(Cl)cc1)C[C@@H](O)C(F)(F)F ZINC000808786556 659906365 /nfs/dbraw/zinc/90/63/65/659906365.db2.gz VJSMHHYCZUOWDE-CQSZACIVSA-N 1 0 382.810 2.518 20 0 GFADRO CCCC[N@H+](C)C[C@H](C)NC(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000808811329 659907157 /nfs/dbraw/zinc/90/71/57/659907157.db2.gz UHOFQABBFQGVOP-LBPRGKRZSA-N 1 0 377.457 2.925 20 0 GFADRO C[N@H+](CCn1cc(Br)cn1)[C@H]1CCCN(Cc2ccccc2)C1=O ZINC000808802116 659907183 /nfs/dbraw/zinc/90/71/83/659907183.db2.gz HGBFTOBNALDSMB-KRWDZBQOSA-N 1 0 391.313 2.769 20 0 GFADRO C[N@H+](CCn1cc(Br)cn1)C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000808802602 659907374 /nfs/dbraw/zinc/90/73/74/659907374.db2.gz ZMTXCMIFLQZTDR-ZDUSSCGKSA-N 1 0 387.322 2.834 20 0 GFADRO C[C@@H](O)c1ncc(C[NH2+]CCCNC(=O)c2ccc(Br)cc2)s1 ZINC000809612894 659933954 /nfs/dbraw/zinc/93/39/54/659933954.db2.gz DIMWAJMLQUTECA-LLVKDONJSA-N 1 0 398.326 2.869 20 0 GFADRO Brc1c(C[NH2+][C@H]2CCCC[C@@H]2N2CCOCC2)nc2ccccn21 ZINC000809628650 659934559 /nfs/dbraw/zinc/93/45/59/659934559.db2.gz NZHHUGTUKCTZSN-HOCLYGCPSA-N 1 0 393.329 2.830 20 0 GFADRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)c1cc(C(F)(F)F)cc(Cl)n1 ZINC000810433274 659973088 /nfs/dbraw/zinc/97/30/88/659973088.db2.gz CCWIGJJDMNWIDO-GFCCVEGCSA-N 1 0 379.810 2.937 20 0 GFADRO CC[C@H](C(=O)OCCc1cnc2c(Br)cnn2c1)[NH+](CC)CC ZINC000811164460 660002485 /nfs/dbraw/zinc/00/24/85/660002485.db2.gz QXEQMTUCNSQDDE-CQSZACIVSA-N 1 0 383.290 2.698 20 0 GFADRO Cc1cnc(Br)c(NC(=O)C(=O)Nc2ccc(C[NH+](C)C)cc2)c1 ZINC000812983094 660038481 /nfs/dbraw/zinc/03/84/81/660038481.db2.gz GSUHVGSJMYTWKP-UHFFFAOYSA-N 1 0 391.269 2.791 20 0 GFADRO Cc1cnc(Br)c(NC(=O)N(C)CC[N@H+](C)C2CCN(C)CC2)c1 ZINC000813004705 660039794 /nfs/dbraw/zinc/03/97/94/660039794.db2.gz OXVWHGXKODJMFG-UHFFFAOYSA-N 1 0 398.349 2.642 20 0 GFADRO CSC1(CNC(=O)CSC(=S)N2CCC(C)CC2)CC[NH+](C)CC1 ZINC000813281669 660050432 /nfs/dbraw/zinc/05/04/32/660050432.db2.gz HTAKGKXWRBZBGL-UHFFFAOYSA-N 1 0 389.656 2.680 20 0 GFADRO C[N@H+](CCN1CCOCC1)C[C@](C)(O)c1ccc(Br)cc1Cl ZINC000815037460 660105665 /nfs/dbraw/zinc/10/56/65/660105665.db2.gz LGQHJRNKCFJSQJ-INIZCTEOSA-N 1 0 391.737 2.574 20 0 GFADRO O=S(=O)(NCCCCC[NH+]1CCCC1)c1c(Cl)nc2sccn21 ZINC000815070594 660109429 /nfs/dbraw/zinc/10/94/29/660109429.db2.gz UHZHSXCAZVGCLH-UHFFFAOYSA-N 1 0 376.935 2.594 20 0 GFADRO CCS(=O)(=O)CCN(C)C[C@](C)(O)c1ccc(Br)cc1Cl ZINC000815076690 660109737 /nfs/dbraw/zinc/10/97/37/660109737.db2.gz KVPIYXWDCQCDLT-AWEZNQCLSA-N 1 0 398.750 2.677 20 0 GFADRO CS(=O)(=O)CC1CCC([NH2+]C[C@@H](O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000815627179 660126841 /nfs/dbraw/zinc/12/68/41/660126841.db2.gz VTPPSTDNMUHCAH-VDSRIPIWSA-N 1 0 379.444 2.932 20 0 GFADRO O=C(NCC1CC[NH+](C2CC2)CC1)c1cn2c(Br)cnc2s1 ZINC000816504538 660159262 /nfs/dbraw/zinc/15/92/62/660159262.db2.gz RCHROTMAEAKPER-UHFFFAOYSA-N 1 0 383.315 2.763 20 0 GFADRO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1nc(Br)ccc1Br ZINC000816766958 660168212 /nfs/dbraw/zinc/16/82/12/660168212.db2.gz LTLDDSWVJGSAEW-SCZZXKLOSA-N 1 0 391.107 2.771 20 0 GFADRO C[NH+](C)CCOC1CCN(C(=O)c2cnc(Cl)c(Br)c2)CC1 ZINC000816924311 660173070 /nfs/dbraw/zinc/17/30/70/660173070.db2.gz IERSQSPMILYAPK-UHFFFAOYSA-N 1 0 390.709 2.680 20 0 GFADRO C[N@@H+]1CCC[C@H](CCNS(=O)(=O)c2cc(Br)cnc2Cl)C1 ZINC000841547724 661295948 /nfs/dbraw/zinc/29/59/48/661295948.db2.gz ADBYVNGTTAZEEN-SNVBAGLBSA-N 1 0 396.738 2.508 20 0 GFADRO [NH3+]CCc1ccc(CNC(=O)NCCc2ccc(Br)cc2)cc1 ZINC000841825446 661316198 /nfs/dbraw/zinc/31/61/98/661316198.db2.gz AJRVAJVOIZVITG-UHFFFAOYSA-N 1 0 376.298 2.992 20 0 GFADRO O=C(NC[C@H]1CCC[NH2+]C1)N1CCO[C@H](c2ccccc2Br)C1 ZINC000841924273 661317836 /nfs/dbraw/zinc/31/78/36/661317836.db2.gz VRFNHRAKAUIUEU-BBRMVZONSA-N 1 0 382.302 2.532 20 0 GFADRO CN(C[C@@H](O)c1ccccc1Br)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000841969641 661318731 /nfs/dbraw/zinc/31/87/31/661318731.db2.gz MKJPJRFIXWEROC-OAHLLOKOSA-N 1 0 384.318 2.514 20 0 GFADRO CN(C[C@H](O)c1ccccc1Br)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000842015698 661320035 /nfs/dbraw/zinc/32/00/35/661320035.db2.gz PAPOTFBZEUJJNW-WBOJAVRRSA-N 1 0 396.329 2.512 20 0 GFADRO C[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)N(C)C1CCC([NH3+])CC1 ZINC000842157565 661325897 /nfs/dbraw/zinc/32/58/97/661325897.db2.gz RCQUXYAHFCVRDO-VCANKDNSSA-N 1 0 386.323 2.769 20 0 GFADRO C[C@@H]1C[C@H](N2C(=O)[C@@H]3Cc4c(Br)cccc4CN3C2=O)CC[N@@H+]1C ZINC000842242083 661329598 /nfs/dbraw/zinc/32/95/98/661329598.db2.gz DJBBAYLKIOLZDI-KFNAQCHYSA-N 1 0 392.297 2.621 20 0 GFADRO C[C@@H]1C[C@@H](N2C(=O)[C@H]3Cc4c(Br)cccc4CN3C2=O)CC[N@@H+]1C ZINC000842242084 661329666 /nfs/dbraw/zinc/32/96/66/661329666.db2.gz DJBBAYLKIOLZDI-PVXIVEMSSA-N 1 0 392.297 2.621 20 0 GFADRO O=S(=O)(c1c(F)c(F)c(F)c(F)c1F)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000842482375 661341399 /nfs/dbraw/zinc/34/13/99/661341399.db2.gz RVSNCNDDWQCQLZ-DTWKUNHWSA-N 1 0 384.370 2.535 20 0 GFADRO COc1ccc2nc(Cl)ccc2c1S(=O)(=O)N1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000842484933 661341711 /nfs/dbraw/zinc/34/17/11/661341711.db2.gz CLBSMASKDRMJMX-NWDGAFQWSA-N 1 0 383.901 2.502 20 0 GFADRO C[NH2+]C[C@@H](C)c1noc(-c2cc(S(=O)(=O)NC(C)(C)C)ccc2Cl)n1 ZINC000842579615 661344174 /nfs/dbraw/zinc/34/41/74/661344174.db2.gz KFPAKNIVCDXPLP-SNVBAGLBSA-N 1 0 386.905 2.790 20 0 GFADRO Cn1cc([C@@H](O)C[NH2+]Cc2cc(OC(F)F)ccc2Br)cn1 ZINC000842683710 661349146 /nfs/dbraw/zinc/34/91/46/661349146.db2.gz BETVBXHIFJROBQ-ZDUSSCGKSA-N 1 0 376.201 2.607 20 0 GFADRO COc1ccc2nc(Cl)ccc2c1S(=O)(=O)N1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000842689537 661349344 /nfs/dbraw/zinc/34/93/44/661349344.db2.gz IPFILLTUQCWDMT-SMDDNHRTSA-N 1 0 383.901 2.787 20 0 GFADRO Cn1ncc(CCC[NH2+]Cc2cc(OC(F)F)ccc2Br)n1 ZINC000842710736 661350598 /nfs/dbraw/zinc/35/05/98/661350598.db2.gz VKIIODFJPVIQDO-UHFFFAOYSA-N 1 0 375.217 2.901 20 0 GFADRO [NH3+]C1C[C@H]2CCC[C@@H](C1)N2S(=O)(=O)c1ccc(Br)c(F)c1 ZINC000842740396 661351916 /nfs/dbraw/zinc/35/19/16/661351916.db2.gz BBOXGKZGZJCWNH-FGWVZKOKSA-N 1 0 377.279 2.621 20 0 GFADRO [NH3+]CCCCCCNC(=O)C(=O)Nc1ccc(Cl)c(Br)c1 ZINC000843050801 661365323 /nfs/dbraw/zinc/36/53/23/661365323.db2.gz QPGGMSFHDGINNZ-UHFFFAOYSA-N 1 0 376.682 2.676 20 0 GFADRO O[C@@H](C[NH2+]C[C@H](O)COCc1cccs1)c1cccc(C(F)(F)F)c1 ZINC000843072350 661366426 /nfs/dbraw/zinc/36/64/26/661366426.db2.gz GZMZAXMFMFMPTP-HOCLYGCPSA-N 1 0 375.412 2.968 20 0 GFADRO Cc1ccccc1[C@H](O)C[NH2+]C[C@@H](O)COc1ccc(Br)cc1 ZINC000843073346 661366647 /nfs/dbraw/zinc/36/66/47/661366647.db2.gz HCZJTIDTQBIEQO-CRAIPNDOSA-N 1 0 380.282 2.820 20 0 GFADRO C[C@H]([NH2+]C[C@H](O)c1ccc(Br)cc1)[C@H](O)c1ccc2c(c1)OCO2 ZINC000843085529 661367055 /nfs/dbraw/zinc/36/70/55/661367055.db2.gz CBYJTDJMSPUGFU-GYOIFBIXSA-N 1 0 394.265 2.923 20 0 GFADRO Cc1cccc([C@H](O)C[NH2+]C[C@H](O)COc2ccc(Br)cc2)c1 ZINC000843087106 661367148 /nfs/dbraw/zinc/36/71/48/661367148.db2.gz IZAILKUMCXWAKO-FUHWJXTLSA-N 1 0 380.282 2.820 20 0 GFADRO O[C@H](C[NH2+]CC[C@H](O)c1ccccc1)COc1cccc(Br)c1 ZINC000843087695 661367284 /nfs/dbraw/zinc/36/72/84/661367284.db2.gz KUWLYVYRLYQUJI-AEFFLSMTSA-N 1 0 380.282 2.902 20 0 GFADRO O[C@H](C[NH2+]C[C@H](O)c1cccc(F)c1)COc1ccccc1Br ZINC000843094273 661367702 /nfs/dbraw/zinc/36/77/02/661367702.db2.gz KDFREVQXRAKNQP-ZBFHGGJFSA-N 1 0 384.245 2.651 20 0 GFADRO Cc1nc(C[NH2+]C[C@H](O)COc2ccc(Br)cc2)ccc1[C@@H](C)O ZINC000843106057 661368331 /nfs/dbraw/zinc/36/83/31/661368331.db2.gz KGFDEUGLMFCTCF-CJNGLKHVSA-N 1 0 395.297 2.735 20 0 GFADRO OC[C@H](C[C@@H](O)c1ccccc1)[NH2+]C[C@H](O)c1ccc(F)c(Br)c1 ZINC000843106690 661368421 /nfs/dbraw/zinc/36/84/21/661368421.db2.gz KVJNXYQTDKQFSE-QGTPRVQTSA-N 1 0 398.272 2.696 20 0 GFADRO O[C@@H](C[NH2+]C[C@@H](O)c1cccc(Br)c1)COCc1ccccc1 ZINC000843113187 661368954 /nfs/dbraw/zinc/36/89/54/661368954.db2.gz OISPKAJCEVUZAH-ZWKOTPCHSA-N 1 0 380.282 2.650 20 0 GFADRO O[C@H](C[NH2+][C@@H]1COc2ccccc2[C@@H]1O)COc1c(Cl)cccc1Cl ZINC000843117821 661369891 /nfs/dbraw/zinc/36/98/91/661369891.db2.gz UKXBJJYUJXOKNT-JGFGOQIWSA-N 1 0 384.259 2.817 20 0 GFADRO CC(C)([NH3+])CCc1nc(Cc2cc(Br)c3c(c2)OCCO3)no1 ZINC000843202860 661372277 /nfs/dbraw/zinc/37/22/77/661372277.db2.gz LKEJSGJONAIMET-UHFFFAOYSA-N 1 0 382.258 2.864 20 0 GFADRO C[NH+]1CCC2(CC1)CN(C(=S)Nc1cccc(Br)c1)CCO2 ZINC000843284222 661375485 /nfs/dbraw/zinc/37/54/85/661375485.db2.gz SNLPGGRSACCUCB-UHFFFAOYSA-N 1 0 384.343 2.943 20 0 GFADRO C[C@H](CN(C)C(=O)CO[C@@H]1CCC[NH2+]C1)Oc1ccc(Cl)c(Cl)c1 ZINC000843495309 661383465 /nfs/dbraw/zinc/38/34/65/661383465.db2.gz MODUISCVUSLSNN-TZMCWYRMSA-N 1 0 375.296 2.988 20 0 GFADRO O=C1O[C@H](C[NH2+][C@H](CO)c2ccc(Cl)cc2C(F)(F)F)CN1C1CC1 ZINC000844324279 661415066 /nfs/dbraw/zinc/41/50/66/661415066.db2.gz GVOHXWYQHWQFJK-BXUZGUMPSA-N 1 0 378.778 2.965 20 0 GFADRO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)[C@H](C)c3nc(N)nc(Cl)n3)C2)s1 ZINC000844328786 661415752 /nfs/dbraw/zinc/41/57/52/661415752.db2.gz XXJJHSXHAZFSPQ-OLZOCXBDSA-N 1 0 380.949 2.992 20 0 GFADRO C[C@H](C[N@@H+]1CCC[C@@H](C)[C@H]1CCNC(=O)OC(C)(C)C)CS(C)(=O)=O ZINC000844400169 661419081 /nfs/dbraw/zinc/41/90/81/661419081.db2.gz JOORKWGUVMMRCZ-BZUAXINKSA-N 1 0 376.563 2.682 20 0 GFADRO CCOc1cc(-c2noc(CC(F)(F)C[NH3+])n2)cc(Br)c1O ZINC000844679911 661433530 /nfs/dbraw/zinc/43/35/30/661433530.db2.gz UXOLHAJKIRTKJG-UHFFFAOYSA-N 1 0 378.173 2.740 20 0 GFADRO O=C1C=C(c2ccc(Br)cc2)CN1C[N@@H+]1CC[C@@H]([C@H]2CCOC2)C1 ZINC000844698507 661435383 /nfs/dbraw/zinc/43/53/83/661435383.db2.gz NIMWWJVSSFROAV-CVEARBPZSA-N 1 0 391.309 2.991 20 0 GFADRO C[NH+](C)CCNC(=O)c1ccc(NC(=O)c2snc(Cl)c2Cl)cc1 ZINC000845189578 661459479 /nfs/dbraw/zinc/45/94/79/661459479.db2.gz OTKUJXSVUBQHKW-UHFFFAOYSA-N 1 0 387.292 2.994 20 0 GFADRO CC(C)(C)Sc1c(Br)cccc1C[NH2+]CCNS(C)(=O)=O ZINC000845917559 661506191 /nfs/dbraw/zinc/50/61/91/661506191.db2.gz BKWUXXOMUPMLHJ-UHFFFAOYSA-N 1 0 395.388 2.979 20 0 GFADRO FC(F)[C@H]1C[NH2+]CCN1Cc1cc(Cl)ccc1I ZINC000846221144 661538789 /nfs/dbraw/zinc/53/87/89/661538789.db2.gz TVXKLZZIDMUMTG-LLVKDONJSA-N 1 0 386.611 2.984 20 0 GFADRO Cc1nc(Br)ccc1NC(=O)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000846307105 661544268 /nfs/dbraw/zinc/54/42/68/661544268.db2.gz NGPQSBTYEQHUQH-GUTXKFCHSA-N 1 0 397.317 2.903 20 0 GFADRO Cc1cc(Br)ncc1NC(=O)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000846307095 661544303 /nfs/dbraw/zinc/54/43/03/661544303.db2.gz NALZSHZHTABQRZ-YDHLFZDLSA-N 1 0 397.317 2.903 20 0 GFADRO Cc1c(Br)nccc1NC(=O)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000846312402 661544955 /nfs/dbraw/zinc/54/49/55/661544955.db2.gz RRXYNGLTZXGETB-YDHLFZDLSA-N 1 0 397.317 2.903 20 0 GFADRO CN(CC[NH+]1CCCCC1)C(=O)/C=C/c1ccc(I)o1 ZINC000846613638 661559676 /nfs/dbraw/zinc/55/96/76/661559676.db2.gz WQLJUIZPFMMFHW-SOFGYWHQSA-N 1 0 388.249 2.842 20 0 GFADRO COCC[NH+]1CCC(OC(=O)Cc2cc(Br)ccc2OC)CC1 ZINC000847883120 661615083 /nfs/dbraw/zinc/61/50/83/661615083.db2.gz JEOPFFOWDIYLOY-UHFFFAOYSA-N 1 0 386.286 2.654 20 0 GFADRO CCN(CC)C(=O)C[NH2+]Cc1cn(-c2cccc(Br)c2)nc1C ZINC000848530497 661661846 /nfs/dbraw/zinc/66/18/46/661661846.db2.gz ACHQVMXHJAIXIL-UHFFFAOYSA-N 1 0 379.302 2.901 20 0 GFADRO Cc1nn(-c2ccccc2Br)cc1C[NH2+]CCCc1cnn(C)n1 ZINC000848553120 661663975 /nfs/dbraw/zinc/66/39/75/661663975.db2.gz JDSIGSBZKPYPOZ-UHFFFAOYSA-N 1 0 389.301 2.794 20 0 GFADRO [NH2+]=C(NCCCNS(=O)(=O)c1ccccc1Cl)NC1CCCCCC1 ZINC000849076169 661690858 /nfs/dbraw/zinc/69/08/58/661690858.db2.gz XLQBNYLZARUFTP-UHFFFAOYSA-N 1 0 386.949 2.845 20 0 GFADRO CC(C)(C)OC(=O)NCCNC(=[NH2+])NC[C@@H](O)c1c(Cl)cccc1Cl ZINC000849113350 661692813 /nfs/dbraw/zinc/69/28/13/661692813.db2.gz APWKTUXBJSXZOK-GFCCVEGCSA-N 1 0 391.299 2.665 20 0 GFADRO C[NH+]1CCC(NC(=S)Nc2ccc(I)cc2F)CC1 ZINC000849285795 661702973 /nfs/dbraw/zinc/70/29/73/661702973.db2.gz INVSATVIXROZIW-UHFFFAOYSA-N 1 0 393.269 2.811 20 0 GFADRO O=S(=O)(N[C@H]1CC[N@@H+](C2CCCCC2)C1)c1ccc(C(F)(F)F)cn1 ZINC000849460946 661730024 /nfs/dbraw/zinc/73/00/24/661730024.db2.gz KMJPWKALSMIMLM-ZDUSSCGKSA-N 1 0 377.432 2.786 20 0 GFADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@H]2C(=O)Oc2ccccc2Br)cn1 ZINC000849490876 661733364 /nfs/dbraw/zinc/73/33/64/661733364.db2.gz QERVAKLEAPGAHJ-KGLIPLIRSA-N 1 0 378.270 2.824 20 0 GFADRO Cn1cc([C@H]2C[N@H+](C)CC[C@H]2C(=O)Nc2cc(Br)ccc2O)cn1 ZINC000849567473 661734778 /nfs/dbraw/zinc/73/47/78/661734778.db2.gz IFGQXNQGWMYMSY-ZIAGYGMSSA-N 1 0 393.285 2.562 20 0 GFADRO O=C(N1CC[C@@H]([NH2+]CCSCCCO)c2ccccc2C1)C(F)(F)F ZINC000850434179 661775984 /nfs/dbraw/zinc/77/59/84/661775984.db2.gz UYRDPDAWZBWRTF-OAHLLOKOSA-N 1 0 376.444 2.728 20 0 GFADRO O=S(=O)(CC[NH2+][C@@H]1CCCOc2cc3c(cc21)CCC3)CC(F)(F)F ZINC000850517991 661780083 /nfs/dbraw/zinc/78/00/83/661780083.db2.gz BBEUVLIDUZKVHP-OAHLLOKOSA-N 1 0 377.428 2.956 20 0 GFADRO O=S(=O)(CC[NH2+][C@H](C[C@H]1CCOC1)c1ccc(F)cc1)CC(F)(F)F ZINC000850518131 661780157 /nfs/dbraw/zinc/78/01/57/661780157.db2.gz LGZVWJSVPVQIDI-IUODEOHRSA-N 1 0 383.407 2.860 20 0 GFADRO CN(CC1C[NH+](C)C1)C(=O)C(=O)Nc1ccc2cc(Br)ccc2c1 ZINC000850627724 661783904 /nfs/dbraw/zinc/78/39/04/661783904.db2.gz AISPSVVWJSQHEI-UHFFFAOYSA-N 1 0 390.281 2.561 20 0 GFADRO C[C@@H](C[NH+]1CCCC1)OC(=O)[C@@H]1CCO[C@H]1c1cncc(Br)c1 ZINC000851102943 661806488 /nfs/dbraw/zinc/80/64/88/661806488.db2.gz CYVHPSXDOTTYQE-MAZHCROVSA-N 1 0 383.286 2.949 20 0 GFADRO O=C(NC[C@H]1[NH2+]CCc2ccccc21)c1sc2c(c1Br)CNC2 ZINC000851634782 661827012 /nfs/dbraw/zinc/82/70/12/661827012.db2.gz GLQWBDFXDSSSBF-CYBMUJFWSA-N 1 0 392.322 2.731 20 0 GFADRO O=C(c1cc(-c2ccc(Br)cc2)no1)N1CCNC[C@H]1C(F)F ZINC000851635753 661827251 /nfs/dbraw/zinc/82/72/51/661827251.db2.gz NFTZXOPMVHWRFK-LBPRGKRZSA-N 1 0 386.196 2.783 20 0 GFADRO COCC1(CNC(=O)C(F)(F)c2ccc(Br)cc2)CC[NH2+]CC1 ZINC000851635395 661827338 /nfs/dbraw/zinc/82/73/38/661827338.db2.gz KIUCQNAAUKWFKM-UHFFFAOYSA-N 1 0 391.256 2.673 20 0 GFADRO O=C(CC[C@H]1CC1(Cl)Cl)Nc1ccccc1OCCN1CC[NH2+]CC1 ZINC000851638763 661827404 /nfs/dbraw/zinc/82/74/04/661827404.db2.gz KVYOMHZJEXNWTA-AWEZNQCLSA-N 1 0 386.323 2.883 20 0 GFADRO O=C(N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1)N1CCC=C(Br)C1 ZINC000851673930 661827970 /nfs/dbraw/zinc/82/79/70/661827970.db2.gz WHIVZERVGGPUHW-HOTGVXAUSA-N 1 0 382.277 2.965 20 0 GFADRO COC(CC[NH+]1CCC(C(=O)Nc2ccc(Br)cn2)CC1)OC ZINC000851826101 661835427 /nfs/dbraw/zinc/83/54/27/661835427.db2.gz YSHMMWSZKOLOPZ-UHFFFAOYSA-N 1 0 386.290 2.504 20 0 GFADRO O=C(Nc1cccc(Br)c1)C1CC[NH+](C[C@H]2CCC(=O)O2)CC1 ZINC000851836313 661837295 /nfs/dbraw/zinc/83/72/95/661837295.db2.gz KSMIOVMCYRGLAI-OAHLLOKOSA-N 1 0 381.270 2.805 20 0 GFADRO CC(C)[C@](C)(CNC(=O)OC(C)(C)C)[NH2+]CCn1cnc(Br)n1 ZINC000851843600 661838192 /nfs/dbraw/zinc/83/81/92/661838192.db2.gz GSCYXLRSMXRJSW-HNNXBMFYSA-N 1 0 390.326 2.570 20 0 GFADRO C[C@@H]1CCC[N@H+](CCCCNC(=O)N2CCn3ncc(Br)c3C2)C1 ZINC000851980268 661847804 /nfs/dbraw/zinc/84/78/04/661847804.db2.gz DGMDIBCLLNDUHL-CQSZACIVSA-N 1 0 398.349 2.683 20 0 GFADRO Brc1ncn(CC[N@@H+]2C[C@H](c3ccccc3)[C@@H]3COCC[C@H]32)n1 ZINC000852042526 661850408 /nfs/dbraw/zinc/85/04/08/661850408.db2.gz XKYIVCPNHCQRSU-OWCLPIDISA-N 1 0 377.286 2.545 20 0 GFADRO CCOP(=O)(OCC)[C@H](O)C[N@@H+]1CCC[C@@H]2CC3(CC[C@@H]21)OCCO3 ZINC000852140223 661854379 /nfs/dbraw/zinc/85/43/79/661854379.db2.gz GAJKTVHFQGRLPD-PMPSAXMXSA-N 1 0 377.418 2.579 20 0 GFADRO CCOP(=O)(OCC)[C@@H](O)C[N@@H+]1CCC[C@@H]2CC3(CC[C@@H]21)OCCO3 ZINC000852140220 661854397 /nfs/dbraw/zinc/85/43/97/661854397.db2.gz GAJKTVHFQGRLPD-OWCLPIDISA-N 1 0 377.418 2.579 20 0 GFADRO C[C@]1(CCNC(=O)NCC2CC[NH+](C3CCOCC3)CC2)C[C@@]1(F)Cl ZINC000852395584 661863174 /nfs/dbraw/zinc/86/31/74/661863174.db2.gz JKJXNPTVKLPWAX-ROUUACIJSA-N 1 0 375.916 2.881 20 0 GFADRO COC(=O)N(C)CCN(C)[C@H](C)C(=O)Nc1ccc(Br)c(C)c1 ZINC000852569631 661867080 /nfs/dbraw/zinc/86/70/80/661867080.db2.gz GNAXRMCWRSMNEL-GFCCVEGCSA-N 1 0 386.290 2.715 20 0 GFADRO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)NC[C@@H](O)c1ccccc1Br ZINC000852603833 661867805 /nfs/dbraw/zinc/86/78/05/661867805.db2.gz VWHRKQDULCQULG-WMLDXEAASA-N 1 0 398.345 2.902 20 0 GFADRO O=C(CC[NH+]1CCC(N2CCOC2=O)CC1)Nc1cccc(Br)c1 ZINC000852722213 661871755 /nfs/dbraw/zinc/87/17/55/661871755.db2.gz SKBSEVSNPSBJRL-UHFFFAOYSA-N 1 0 396.285 2.694 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)[C@@H]1[NH2+]CC12CCCC2 ZINC000852773420 661874085 /nfs/dbraw/zinc/87/40/85/661874085.db2.gz YXPCGMCUXJJEOL-INIZCTEOSA-N 1 0 394.313 2.687 20 0 GFADRO Cc1sc(NC(=O)C2=NO[C@H](C[NH3+])C2)nc1-c1ccc(Br)cc1 ZINC000852802379 661874889 /nfs/dbraw/zinc/87/48/89/661874889.db2.gz NTUUDYUNZACONZ-NSHDSACASA-N 1 0 395.282 2.923 20 0 GFADRO O=C(N[C@@H]1C[NH2+]CCC1(F)F)c1cc(-c2ccc(Br)cc2)no1 ZINC000852832134 661875387 /nfs/dbraw/zinc/87/53/87/661875387.db2.gz FUDZBBVRBOXPBZ-CYBMUJFWSA-N 1 0 386.196 2.831 20 0 GFADRO CC(C)(Oc1ccc(Br)cc1)C(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000852832825 661875463 /nfs/dbraw/zinc/87/54/63/661875463.db2.gz RQIPWAOXHDXRFF-LBPRGKRZSA-N 1 0 377.229 2.720 20 0 GFADRO [NH3+]C[C@@H]1CC(C(=O)NCCCCSc2ccccc2Br)=NO1 ZINC000852837455 661875590 /nfs/dbraw/zinc/87/55/90/661875590.db2.gz JORFWCKMWPHMAQ-NSHDSACASA-N 1 0 386.315 2.541 20 0 GFADRO Cc1ccc(-n2nc(Br)cc2C(=O)N2CC3CC2(C[NH3+])C3)cc1 ZINC000852858995 661875866 /nfs/dbraw/zinc/87/58/66/661875866.db2.gz KTLRVSANFAYYAV-UHFFFAOYSA-N 1 0 375.270 2.507 20 0 GFADRO CN([C@H](C[NH3+])C(F)(F)F)S(=O)(=O)c1ccc(SC(F)(F)F)cc1 ZINC000853081248 661881625 /nfs/dbraw/zinc/88/16/25/661881625.db2.gz MUWUMUIQMZXYAH-SECBINFHSA-N 1 0 382.351 2.809 20 0 GFADRO Cc1c(Br)cccc1C[C@H](CO)C[NH2+]C[C@@H](O)c1ccccn1 ZINC000853108880 661882474 /nfs/dbraw/zinc/88/24/74/661882474.db2.gz DGYSKJFDALARSW-KBXCAEBGSA-N 1 0 379.298 2.627 20 0 GFADRO CC(C)(C)OC(=O)NC[C@](C)(O)C[NH2+]C[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC000853117107 661882813 /nfs/dbraw/zinc/88/28/13/661882813.db2.gz PCINQELSMFUMBK-WMLDXEAASA-N 1 0 393.311 2.892 20 0 GFADRO NC(=NOCCC1SCCS1)c1ccccc1C[NH+]1CCC(O)CC1 ZINC000853664566 661896530 /nfs/dbraw/zinc/89/65/30/661896530.db2.gz QCUGNGCSYUZCBQ-UHFFFAOYSA-N 1 0 381.567 2.686 20 0 GFADRO COc1ccc(Br)cc1-c1noc(-c2c[nH]nc2[C@@H]2CC[NH2+]C2)n1 ZINC000854145282 661916273 /nfs/dbraw/zinc/91/62/73/661916273.db2.gz FOGCMMCDUYBJNX-SECBINFHSA-N 1 0 390.241 2.975 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)C1 ZINC000854314933 661924522 /nfs/dbraw/zinc/92/45/22/661924522.db2.gz UFFCMZBRQLPANS-LBPRGKRZSA-N 1 0 375.441 2.677 20 0 GFADRO C[NH+]1CCC(ONC(=O)c2cc(-c3ccc(Br)cc3)no2)CC1 ZINC000854358071 661929233 /nfs/dbraw/zinc/92/92/33/661929233.db2.gz OTOWSEGBAGVVQR-UHFFFAOYSA-N 1 0 380.242 2.860 20 0 GFADRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)[C@@]1(C)CC1(Br)Br ZINC000854430837 661932804 /nfs/dbraw/zinc/93/28/04/661932804.db2.gz MEMNTRBUIFWVCV-NQBHXWOUSA-N 1 0 394.151 2.968 20 0 GFADRO CC(C)C[C@H](NC(=O)CC[C@H]1CC1(Cl)Cl)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000854632221 661944698 /nfs/dbraw/zinc/94/46/98/661944698.db2.gz GVWHQURSABMMDV-KKUMJFAQSA-N 1 0 392.371 2.654 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)[C@]1(C)CC1(Br)Br ZINC000855162258 661974279 /nfs/dbraw/zinc/97/42/79/661974279.db2.gz IEASNJODYOUOQU-SKDRFNHKSA-N 1 0 382.140 2.872 20 0 GFADRO Cc1csc([C@](O)(CC(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)C(F)(F)F)n1 ZINC000855166939 661974776 /nfs/dbraw/zinc/97/47/76/661974776.db2.gz TTXROZOWXBMKJP-IAQYHMDHSA-N 1 0 379.448 2.581 20 0 GFADRO C[NH+]1CCC(C(=O)N2CC[C@@]3(C)[C@@H](C2)C3(Br)Br)CC1 ZINC000855323037 661984686 /nfs/dbraw/zinc/98/46/86/661984686.db2.gz WXNWUERDPXTZPN-YPMHNXCESA-N 1 0 394.151 2.683 20 0 GFADRO CCN(C(=O)c1cnn(-c2ccccc2)c1Br)[C@H]1CC[N@H+](C)C1 ZINC000855359871 661988010 /nfs/dbraw/zinc/98/80/10/661988010.db2.gz DMWQNXQJIUCWRZ-AWEZNQCLSA-N 1 0 377.286 2.801 20 0 GFADRO Cc1ccc(C(=O)N2CC3(CCCC3)OC[C@H]2C[NH+](C)C)c(Br)n1 ZINC000856411384 662032476 /nfs/dbraw/zinc/03/24/76/662032476.db2.gz VHBANNNUAPJXBL-CQSZACIVSA-N 1 0 396.329 2.868 20 0 GFADRO C[NH+](C)CCC[C@@H]1CN(C(=O)c2cccnc2SC(F)(F)F)CCO1 ZINC000856428434 662033365 /nfs/dbraw/zinc/03/33/65/662033365.db2.gz AWPNMUZQKADJDY-GFCCVEGCSA-N 1 0 377.432 2.876 20 0 GFADRO C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)Nc1cnc(Br)cn1 ZINC000856731885 662039731 /nfs/dbraw/zinc/03/97/31/662039731.db2.gz VXWFPNSEMQZHIN-AWEZNQCLSA-N 1 0 376.302 2.862 20 0 GFADRO O=C(NCC[C@H]1CC1(Cl)Cl)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000856947732 662053649 /nfs/dbraw/zinc/05/36/49/662053649.db2.gz DASOUJFHGXIAQZ-DOTOQJQBSA-N 1 0 386.323 2.507 20 0 GFADRO Cc1cc(NC(=O)c2c(Br)nc3n2CCOC3)ccc1C[NH+](C)C ZINC000857288523 662071898 /nfs/dbraw/zinc/07/18/98/662071898.db2.gz QDXBGMMYAVHBHS-UHFFFAOYSA-N 1 0 393.285 2.798 20 0 GFADRO C[NH+](C)CCN(CCc1ccccc1)C(=O)c1cc(Br)c[nH]c1=O ZINC000857708953 662087954 /nfs/dbraw/zinc/08/79/54/662087954.db2.gz LIQFHSVXZFSBPS-UHFFFAOYSA-N 1 0 392.297 2.796 20 0 GFADRO COc1ccc(C[C@H](CO)C[NH2+][C@@H]2CCCc3cn[nH]c32)cc1Br ZINC000857868770 662092718 /nfs/dbraw/zinc/09/27/18/662092718.db2.gz BUEMOARUMXNYJU-XJKSGUPXSA-N 1 0 394.313 2.999 20 0 GFADRO C[NH+](C)[C@@H]1CCc2cc(Br)ccc2N(C(=O)c2cccnn2)C1 ZINC000857880125 662093112 /nfs/dbraw/zinc/09/31/12/662093112.db2.gz CLBRCMVAAONFOB-CQSZACIVSA-N 1 0 375.270 2.762 20 0 GFADRO C[NH+](C)[C@@H]1CCc2cc(Br)ccc2N(C(=O)COC(F)F)C1 ZINC000857881210 662093376 /nfs/dbraw/zinc/09/33/76/662093376.db2.gz SEPPPYPVCDQRJG-GFCCVEGCSA-N 1 0 377.229 2.898 20 0 GFADRO COCO[C@H](C)c1cc(F)c(C[NH2+]C2COCCOC2)cc1Br ZINC000858169210 662102784 /nfs/dbraw/zinc/10/27/84/662102784.db2.gz ZCHHYXZNQSQSDO-LLVKDONJSA-N 1 0 392.265 2.775 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)c1cc(Br)cnc1F)Cc1ccccc1 ZINC000858178329 662103319 /nfs/dbraw/zinc/10/33/19/662103319.db2.gz UTDQPBUKSDOADK-CQSZACIVSA-N 1 0 380.261 2.886 20 0 GFADRO COCO[C@H](C)c1cc(F)c(C[NH2+][C@H]2C[C@@H](C(N)=O)C2)cc1Br ZINC000858184591 662103488 /nfs/dbraw/zinc/10/34/88/662103488.db2.gz MTJJWCZESJPGQL-FOGDFJRCSA-N 1 0 389.265 2.623 20 0 GFADRO C[C@H]([NH2+]CCOc1ccc(S(=O)(=O)C(F)(F)F)cc1)[C@@H]1CCCCO1 ZINC000858385077 662110316 /nfs/dbraw/zinc/11/03/16/662110316.db2.gz ZPXUOMSGEKHGSA-WFASDCNBSA-N 1 0 381.416 2.906 20 0 GFADRO C[C@H]([NH2+]C[C@@H]1CN(Cc2ccncc2)CCO1)c1ccc(Br)nc1 ZINC000858564083 662114949 /nfs/dbraw/zinc/11/49/49/662114949.db2.gz DVDKNPZQPZJCNU-WMLDXEAASA-N 1 0 391.313 2.791 20 0 GFADRO COC(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)cc1Cl ZINC000858614145 662116370 /nfs/dbraw/zinc/11/63/70/662116370.db2.gz DOAJWPDRBCITKR-UTUOFQBUSA-N 1 0 389.905 2.512 20 0 GFADRO C[C@H](CNC(=O)OCc1ccc(Br)cc1)C[NH+]1CCN(C)CC1 ZINC000859024567 662132394 /nfs/dbraw/zinc/13/23/94/662132394.db2.gz HHDALARBLLPTKH-CQSZACIVSA-N 1 0 384.318 2.559 20 0 GFADRO C[C@@H](CCNS(=O)(=O)c1ccc(Br)nc1F)[NH+]1CCCCC1 ZINC000859106130 662137913 /nfs/dbraw/zinc/13/79/13/662137913.db2.gz TWLJEJVWXALGRE-NSHDSACASA-N 1 0 394.310 2.526 20 0 GFADRO CC[C@@H](C(=O)NC[C@@H](C)N1CC[NH+](C)CC1)c1ccc(Br)cc1 ZINC000859364689 662156615 /nfs/dbraw/zinc/15/66/15/662156615.db2.gz ODAMHZFHLHTMGC-RHSMWYFYSA-N 1 0 382.346 2.695 20 0 GFADRO C[C@H]([NH3+])CN(C)C(=O)Nc1cccc(Oc2ncc(Br)cn2)c1 ZINC000859663298 662171619 /nfs/dbraw/zinc/17/16/19/662171619.db2.gz MRYVXVXQKASJQX-JTQLQIEISA-N 1 0 380.246 2.842 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)c2cc(Br)c3ncc(C=O)n3c2)C1 ZINC000859900274 662178095 /nfs/dbraw/zinc/17/80/95/662178095.db2.gz BHJLQMLCINHQHF-CHWSQXEVSA-N 1 0 393.285 2.512 20 0 GFADRO CO[C@H]1C[N@H+](C)[C@@](C)(COC(=O)c2cnn(C(C)(C)C)c2Br)C1 ZINC000861356605 662242345 /nfs/dbraw/zinc/24/23/45/662242345.db2.gz MTZYJPKGAGMIEW-BDJLRTHQSA-N 1 0 388.306 2.667 20 0 GFADRO C[N@@H+]1CCN(CCNC(=O)/C=C\c2csc(C(F)(F)F)c2)CC1(C)C ZINC000861526276 662248995 /nfs/dbraw/zinc/24/89/95/662248995.db2.gz NBLZDKMBAOJQEX-PLNGDYQASA-N 1 0 375.460 2.922 20 0 GFADRO O=C(N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1)C(F)(F)c1cccc(Cl)c1Cl ZINC000861719840 662256151 /nfs/dbraw/zinc/25/61/51/662256151.db2.gz PNIHFWWCBIMEPS-WDEREUQCSA-N 1 0 379.234 2.753 20 0 GFADRO C[C@H]1CC[N@H+](CCNC(=O)C(=O)Nc2cccc(SC(F)(F)F)c2)C1 ZINC000861763066 662257857 /nfs/dbraw/zinc/25/78/57/662257857.db2.gz SITQKIXJUXGYNU-NSHDSACASA-N 1 0 375.416 2.695 20 0 GFADRO COc1ccc(C(=O)NC[C@H]2CC[N@@H+]2C2CCCCC2)nc1Br ZINC000862629480 662294961 /nfs/dbraw/zinc/29/49/61/662294961.db2.gz QADUNWXDWVGCIM-CYBMUJFWSA-N 1 0 382.302 2.990 20 0 GFADRO O=C(NC[C@@H]1CC[N@@H+]1C1CCCC1)c1cn2c(Br)cnc2s1 ZINC000863032154 662308925 /nfs/dbraw/zinc/30/89/25/662308925.db2.gz LYBZKCUZTFVSFD-NSHDSACASA-N 1 0 383.315 2.905 20 0 GFADRO C[NH+]1CCC(NC(=S)N2CCc3cc(F)cc(Br)c3C2)CC1 ZINC000863247303 662316939 /nfs/dbraw/zinc/31/69/39/662316939.db2.gz GWSNSIBZXUCOMR-UHFFFAOYSA-N 1 0 386.334 2.915 20 0 GFADRO C[N@@H+]1C[C@@]2(C)CN(C(=O)[C@]3(C)CC3(Br)Br)C[C@@]2(C)C1 ZINC000864077649 662353747 /nfs/dbraw/zinc/35/37/47/662353747.db2.gz PLADVDCWTCMLHJ-XQQFMLRXSA-N 1 0 394.151 2.683 20 0 GFADRO C[NH+](C)CCCNC(=O)c1c(F)ccc(I)c1Cl ZINC000864416297 662370053 /nfs/dbraw/zinc/37/00/53/662370053.db2.gz QBLYUFKJIDJVSN-UHFFFAOYSA-N 1 0 384.620 2.765 20 0 GFADRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)[C@H]1[C@@H]2c3cc(Br)ccc3C[C@H]12 ZINC000864963019 662392740 /nfs/dbraw/zinc/39/27/40/662392740.db2.gz RNMFZYUXXKXZIB-ZUHTVMMCSA-N 1 0 375.310 2.935 20 0 GFADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1oc2ccccc2c1Br ZINC000865061095 662396838 /nfs/dbraw/zinc/39/68/38/662396838.db2.gz VEMYYJSZQQUMCX-RYUDHWBXSA-N 1 0 379.254 2.788 20 0 GFADRO CN1C(=O)N([C@@H]2CC[N@H+](CC3CC3)C2)C(=O)[C@H]1c1ccc(Br)s1 ZINC000865302551 662411246 /nfs/dbraw/zinc/41/12/46/662411246.db2.gz SIRUASCPDNFVFQ-BXUZGUMPSA-N 1 0 398.326 2.930 20 0 GFADRO C[C@@H](Cc1cccc(Br)c1)[NH2+]Cc1cn(C[C@@H]2CCCO2)nn1 ZINC000865430914 662421187 /nfs/dbraw/zinc/42/11/87/662421187.db2.gz VABIEYIOYMNMMM-GUYCJALGSA-N 1 0 379.302 2.940 20 0 GFADRO CC(C)(C)OC(=O)N1CCc2sc(C[NH2+]CCCS(C)(=O)=O)cc2C1 ZINC000865449693 662422347 /nfs/dbraw/zinc/42/23/47/662422347.db2.gz ZRMQZQAXOSDOIF-UHFFFAOYSA-N 1 0 388.555 2.566 20 0 GFADRO CCCC[NH+]1CCC(Nc2ccc(Br)cc2S(N)(=O)=O)CC1 ZINC000865472827 662423744 /nfs/dbraw/zinc/42/37/44/662423744.db2.gz FQAGQSYNENCBMK-UHFFFAOYSA-N 1 0 390.347 2.773 20 0 GFADRO Cn1ncc2cc(C[NH2+]C[C@H](CO)Cc3ccccc3Br)cnc21 ZINC000865543621 662428157 /nfs/dbraw/zinc/42/81/57/662428157.db2.gz SNMJFJZVVNZDJP-CQSZACIVSA-N 1 0 389.297 2.672 20 0 GFADRO COc1ncc(Br)cc1C[NH2+]C[C@H]1CCC2(CCOCC2)[C@H]1O ZINC000865558556 662429144 /nfs/dbraw/zinc/42/91/44/662429144.db2.gz SJEUPBAZQMOKBI-DOMZBBRYSA-N 1 0 385.302 2.510 20 0 GFADRO COc1ncc(Br)cc1C[NH2+][C@@H]1CCO[C@@H](c2ccnn2C)C1 ZINC000865591753 662431079 /nfs/dbraw/zinc/43/10/79/662431079.db2.gz KPMCTZHGHTUKCG-UKRRQHHQSA-N 1 0 381.274 2.596 20 0 GFADRO CC(C)(O)CN1CC[C@H]([NH2+]CC2=Cc3cc(Br)ccc3OC2)C1 ZINC000865655454 662434531 /nfs/dbraw/zinc/43/45/31/662434531.db2.gz GWMFULFTEWLYJR-INIZCTEOSA-N 1 0 381.314 2.660 20 0 GFADRO CN(C)C(=O)c1ccc(C[NH2+][C@](C)(CO)Cc2ccc(Br)cc2)[nH]1 ZINC000865714899 662438297 /nfs/dbraw/zinc/43/82/97/662438297.db2.gz GAHRBPJZHAMWQJ-SFHVURJKSA-N 1 0 394.313 2.562 20 0 GFADRO Ic1ccccc1C[NH2+]C[C@H]1CC2(CO1)CCOCC2 ZINC000865780874 662443073 /nfs/dbraw/zinc/44/30/73/662443073.db2.gz CPIUILBYUSXDCQ-CQSZACIVSA-N 1 0 387.261 2.967 20 0 GFADRO O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)C(=O)c1cc(Cl)cc(Cl)c1 ZINC000865960189 662453531 /nfs/dbraw/zinc/45/35/31/662453531.db2.gz RVLRPAYPPOSYEK-GFCCVEGCSA-N 1 0 385.291 2.793 20 0 GFADRO COc1cc(I)ccc1C(=O)N(C)CCCC[NH+](C)C ZINC000865976766 662454405 /nfs/dbraw/zinc/45/44/05/662454405.db2.gz SILJQONIDSANRD-UHFFFAOYSA-N 1 0 390.265 2.714 20 0 GFADRO CN1CC[NH+](C2CCN(c3ccnc4cc(Br)cnc43)CC2)CC1 ZINC000866211690 662464601 /nfs/dbraw/zinc/46/46/01/662464601.db2.gz GRRRTGPFSWVSRB-UHFFFAOYSA-N 1 0 390.329 2.609 20 0 GFADRO C[C@H]([NH2+]CC1(O)CCS(=O)(=O)CC1)c1cccc(SC(F)(F)F)c1 ZINC000866271066 662466432 /nfs/dbraw/zinc/46/64/32/662466432.db2.gz CANIKLMWAJIJAV-NSHDSACASA-N 1 0 383.457 2.889 20 0 GFADRO C[C@H]([NH2+]CCOCC(=O)OC(C)(C)C)c1cc(Br)ncc1F ZINC000866437712 662473102 /nfs/dbraw/zinc/47/31/02/662473102.db2.gz MTQRDOZRRBDWNV-JTQLQIEISA-N 1 0 377.254 2.992 20 0 GFADRO COc1cc([C@H](C)[NH2+][C@H](C)[C@@H](O)C(F)(F)F)ccc1S(=O)(=O)C(F)F ZINC000866464534 662474767 /nfs/dbraw/zinc/47/47/67/662474767.db2.gz KMHMFAFNWZSRRB-JOAULVNJSA-N 1 0 391.358 2.654 20 0 GFADRO CC(C)(C[NH2+][C@H]1CCCOc2c(Br)cccc21)CS(N)(=O)=O ZINC000866569973 662480892 /nfs/dbraw/zinc/48/08/92/662480892.db2.gz GBDQRFGTQMHOIU-ZDUSSCGKSA-N 1 0 391.331 2.567 20 0 GFADRO CNS(=O)(=O)c1ccc(CC[NH2+][C@@H](C)c2ccc(Br)nc2)cc1 ZINC000866579300 662481526 /nfs/dbraw/zinc/48/15/26/662481526.db2.gz PXLMGQCREIRYPT-LBPRGKRZSA-N 1 0 398.326 2.646 20 0 GFADRO CNS(=O)(=O)c1ccc(CC[NH2+][C@H](C)c2nc3c(s2)CCCC3)cc1 ZINC000866579297 662481618 /nfs/dbraw/zinc/48/16/18/662481618.db2.gz PWRGKHOTHFUPIU-CYBMUJFWSA-N 1 0 379.551 2.823 20 0 GFADRO CC1(C)CC[NH2+]CCN1Cc1nc(Cc2cccc(Br)c2)no1 ZINC000866699728 662490533 /nfs/dbraw/zinc/49/05/33/662490533.db2.gz UEEPIVMIIRMMGS-UHFFFAOYSA-N 1 0 379.302 2.997 20 0 GFADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3cc(Br)cn4ccnc34)CC[C@H]21 ZINC000866710933 662491070 /nfs/dbraw/zinc/49/10/70/662491070.db2.gz XZERYCDWNVAEGS-IUODEOHRSA-N 1 0 377.286 2.653 20 0 GFADRO Cc1ccc(Br)c(CS(=O)(=O)N(C2CC2)C2CC[NH2+]CC2)c1 ZINC000866734598 662492968 /nfs/dbraw/zinc/49/29/68/662492968.db2.gz GONQZESIUBHQQJ-UHFFFAOYSA-N 1 0 387.343 2.804 20 0 GFADRO [NH3+]Cc1ccc2c(c1)CCCN2S(=O)(=O)c1cc2nc(Cl)ncc2s1 ZINC000866739519 662493357 /nfs/dbraw/zinc/49/33/57/662493357.db2.gz BOJIWUGPQFETBV-UHFFFAOYSA-N 1 0 394.909 2.945 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H]2CN(S(=O)(=O)c3oc4ccccc4c3Br)C[C@H]21 ZINC000866757947 662495115 /nfs/dbraw/zinc/49/51/15/662495115.db2.gz IZUCYQZIMIHFCW-RAIGVLPGSA-N 1 0 399.310 2.943 20 0 GFADRO [NH3+]C[C@H]1c2ccccc2CCN1S(=O)(=O)c1cc2nc(Cl)ncc2s1 ZINC000866773732 662496897 /nfs/dbraw/zinc/49/68/97/662496897.db2.gz JCIKOFTUIVPRIT-ZDUSSCGKSA-N 1 0 394.909 2.592 20 0 GFADRO O=C(NCCCC[N@H+]1CCC[C@H]1CO)c1cc(F)c(Br)cc1F ZINC000866783794 662498245 /nfs/dbraw/zinc/49/82/45/662498245.db2.gz VSKRXOIHGAZXPG-NSHDSACASA-N 1 0 391.256 2.694 20 0 GFADRO CC(C)(C)[C@@]1(C[NH3+])CCN(S(=O)(=O)c2cscc2Br)C1 ZINC000866814065 662501420 /nfs/dbraw/zinc/50/14/20/662501420.db2.gz JZOYYXPJNAPECT-CYBMUJFWSA-N 1 0 381.361 2.896 20 0 GFADRO COCCC1(NS(=O)(=O)c2ccc(SC(F)(F)F)cc2)CC[NH2+]CC1 ZINC000866820054 662501890 /nfs/dbraw/zinc/50/18/90/662501890.db2.gz DLGGOJVQSAAJPF-UHFFFAOYSA-N 1 0 398.472 2.736 20 0 GFADRO O=S(=O)(c1ccc(C(F)(F)C(F)(F)F)cc1)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000866822450 662502105 /nfs/dbraw/zinc/50/21/05/662502105.db2.gz FWRZJIDIMNVYJO-STQMWFEESA-N 1 0 384.370 2.856 20 0 GFADRO C[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2ccc(F)nc2F)[C@H]1c1cccs1 ZINC000866865690 662504835 /nfs/dbraw/zinc/50/48/35/662504835.db2.gz RIYRAYTZIUIBMG-NHYWBVRUSA-N 1 0 387.477 2.783 20 0 GFADRO CC[N@H+](CCC1CCN(S(=O)(=O)N=S(=O)(CC)CC)CC1)CC1CC1 ZINC000867048444 662519180 /nfs/dbraw/zinc/51/91/80/662519180.db2.gz FADSSOBHGPWFTJ-UHFFFAOYSA-N 1 0 393.619 2.573 20 0 GFADRO CS[C@@H]1CN(S(=O)(=O)c2cc(Cl)cnc2Cl)C[C@H]1[NH+]1CCCC1 ZINC000867125434 662525365 /nfs/dbraw/zinc/52/53/65/662525365.db2.gz VGXXRPGQBYLRLK-VXGBXAGGSA-N 1 0 396.365 2.589 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@H](CNS(=O)(=O)c2cc3nc(Cl)ncc3s2)C1 ZINC000867497946 662554450 /nfs/dbraw/zinc/55/44/50/662554450.db2.gz XMFMZSZRQCCOSN-SNVBAGLBSA-N 1 0 388.946 2.743 20 0 GFADRO CCCCN(c1ccncc1)S(=O)(=O)c1ccc(Cl)nc1C(=O)OC ZINC000867628156 662563973 /nfs/dbraw/zinc/56/39/73/662563973.db2.gz QUUHCRHXGYGODV-UHFFFAOYSA-N 1 0 383.857 2.912 20 0 GFADRO Cc1sc(Br)cc1S(=O)(=O)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000867811335 662578900 /nfs/dbraw/zinc/57/89/00/662578900.db2.gz BGGRGVWLODPVIC-QWRGUYRKSA-N 1 0 379.345 2.534 20 0 GFADRO O=C(NC1CC([NH+]2CCCCC2)C1)c1cc(Br)cn2ccnc12 ZINC000867942516 662588531 /nfs/dbraw/zinc/58/85/31/662588531.db2.gz SQYVGQVNSFWVAD-UHFFFAOYSA-N 1 0 377.286 2.844 20 0 GFADRO C[C@@H](NC(=O)c1ccc(I)c(F)c1)C1CC[NH2+]CC1 ZINC000868002831 662591091 /nfs/dbraw/zinc/59/10/91/662591091.db2.gz FLKLDEZJQVEANT-SECBINFHSA-N 1 0 376.213 2.548 20 0 GFADRO C[C@H](NC(=O)c1cc(F)c(F)cc1I)C1CC[NH2+]CC1 ZINC000868009005 662591274 /nfs/dbraw/zinc/59/12/74/662591274.db2.gz REIQCMFUPJHPQE-QMMMGPOBSA-N 1 0 394.203 2.687 20 0 GFADRO COC[C@H](NC(=O)[C@@H](C[NH3+])c1ccccc1)c1cccc(Br)c1 ZINC000868023953 662591681 /nfs/dbraw/zinc/59/16/81/662591681.db2.gz CYYLCWSQXUSNCT-IRXDYDNUSA-N 1 0 377.282 2.995 20 0 GFADRO O=C([C@@H]1[C@@H]2Cc3ccc(Br)cc3[C@@H]21)N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000868037437 662592222 /nfs/dbraw/zinc/59/22/22/662592222.db2.gz SKJJGNRFPHDNDV-YONFGDDVSA-N 1 0 375.310 2.935 20 0 GFADRO [NH3+][C@H]1C[C@@H](CNC(=O)Nc2cc(Br)cnc2OCC(F)(F)F)C1 ZINC000868124031 662595033 /nfs/dbraw/zinc/59/50/33/662595033.db2.gz OJXXMKUUJDIWMV-OTSSQURYSA-N 1 0 397.195 2.644 20 0 GFADRO COC(=O)c1cccc(NC(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)c1Br ZINC000868156432 662597014 /nfs/dbraw/zinc/59/70/14/662597014.db2.gz ZERDYZLWLMMNCL-ZSBIGDGJSA-N 1 0 396.285 2.888 20 0 GFADRO [NH3+]CCN(CCO)C(=O)Nc1nc([C@H]2CCC[C@H](C(F)(F)F)C2)cs1 ZINC000868170693 662597649 /nfs/dbraw/zinc/59/76/49/662597649.db2.gz IBCHXBBYFHOJGO-QWRGUYRKSA-N 1 0 380.436 2.764 20 0 GFADRO CN(CCn1cc(Br)cn1)C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000868176036 662597776 /nfs/dbraw/zinc/59/77/76/662597776.db2.gz CBVSSTMBIHDHKI-LSDHHAIUSA-N 1 0 378.274 2.624 20 0 GFADRO [NH3+][C@@H]1C[C@H]1c1ccc(NC(=O)N2CCn3ncc(Br)c3C2)cc1 ZINC000868178973 662597839 /nfs/dbraw/zinc/59/78/39/662597839.db2.gz YZPGUHQCAMBXDZ-GXTWGEPZSA-N 1 0 376.258 2.508 20 0 GFADRO COc1ccc(CNC(=O)N2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)cc1Br ZINC000868194533 662598430 /nfs/dbraw/zinc/59/84/30/662598430.db2.gz TYZGBZAECKWNJE-ZFWWWQNUSA-N 1 0 382.302 2.693 20 0 GFADRO COC[C@@H](NC(=O)N[C@H]1CC[N@@H+](C2CC2)C1)c1cccc(Br)c1 ZINC000868364661 662603196 /nfs/dbraw/zinc/60/31/96/662603196.db2.gz ATFGGNDGYSQANZ-GOEBONIOSA-N 1 0 382.302 2.673 20 0 GFADRO CC(=O)N[C@H](C(=O)NC(C)(C)C[NH+]1CCCC1)c1cccc(Br)c1 ZINC000868806914 662620220 /nfs/dbraw/zinc/62/02/20/662620220.db2.gz FUBXSUOSJWPKAA-INIZCTEOSA-N 1 0 396.329 2.617 20 0 GFADRO C[N@@H+]1CC[C@H]2CN(C(=O)NCc3cc(F)c(Br)cc3F)CC[C@H]21 ZINC000868809730 662620466 /nfs/dbraw/zinc/62/04/66/662620466.db2.gz MAAKYFZRYRBCFB-ZUZCIYMTSA-N 1 0 388.256 2.963 20 0 GFADRO Cc1cc(C)c(COC(=O)c2ccc(CCNS(C)(=O)=O)s2)c(C)n1 ZINC000869339296 662642414 /nfs/dbraw/zinc/64/24/14/662642414.db2.gz RAFBCJHXJVLSFB-UHFFFAOYSA-N 1 0 382.507 2.517 20 0 GFADRO CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2ccc(Br)cc2)C1 ZINC000869776447 662661297 /nfs/dbraw/zinc/66/12/97/662661297.db2.gz IEXNWZGKEYUBBT-HRCADAONSA-N 1 0 381.314 2.514 20 0 GFADRO C[C@H](CC(=O)N[C@H]1CC[N@H+](CC(C)(C)O)C1)c1ccc(Br)cc1 ZINC000869780145 662661564 /nfs/dbraw/zinc/66/15/64/662661564.db2.gz PKQHFLZLKXYEMN-CJNGLKHVSA-N 1 0 383.330 2.904 20 0 GFADRO CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)CCCc2ccc(Br)s2)C1 ZINC000869784367 662662096 /nfs/dbraw/zinc/66/20/96/662662096.db2.gz JHAZCWUZBITHAD-LBPRGKRZSA-N 1 0 389.359 2.795 20 0 GFADRO CC(=O)N[C@@H](C(=O)OC[C@@]12CC[N@H+](C1)CCC2)c1cccc(Br)c1 ZINC000870452422 662690681 /nfs/dbraw/zinc/69/06/81/662690681.db2.gz MZVFWSJUHXNTES-AEFFLSMTSA-N 1 0 395.297 2.655 20 0 GFADRO CCC1([NH+](C)C)CCN(C(=O)COc2ccc(C=O)cc2Br)CC1 ZINC000870572325 662694820 /nfs/dbraw/zinc/69/48/20/662694820.db2.gz KEBRKTWREZSVEP-UHFFFAOYSA-N 1 0 397.313 2.973 20 0 GFADRO [NH3+][C@H](C(=O)NCCN1CCc2sccc2C1)c1cccc(Br)c1 ZINC000870873084 662704137 /nfs/dbraw/zinc/70/41/37/662704137.db2.gz YIKKDMCDQVVJCI-INIZCTEOSA-N 1 0 394.338 2.685 20 0 GFADRO CCCC(=O)NC[C@@H]1CCCN(C(=O)[C@@H]([NH3+])c2cccc(Br)c2)C1 ZINC000870878509 662704416 /nfs/dbraw/zinc/70/44/16/662704416.db2.gz MELQVYMWEOEZFG-GUYCJALGSA-N 1 0 396.329 2.604 20 0 GFADRO CC(C)n1ncc(C(=O)Nc2cccc(C[NH3+])c2)c1I ZINC000870932314 662708945 /nfs/dbraw/zinc/70/89/45/662708945.db2.gz CUYIGDNLPYZXKF-UHFFFAOYSA-N 1 0 384.221 2.780 20 0 GFADRO O=C(N[C@H]1COc2cccc(Br)c2C1)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000871007803 662712617 /nfs/dbraw/zinc/71/26/17/662712617.db2.gz JSBLNJCBTOTKNF-HZSPNIEDSA-N 1 0 379.298 2.505 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CCCCN1S(=O)(=O)c1cc2c(cc1Cl)CCCC(=O)N2 ZINC000871803632 662734499 /nfs/dbraw/zinc/73/44/99/662734499.db2.gz MBPWTBUBRZNCDQ-ABAIWWIYSA-N 1 0 385.917 2.505 20 0 GFADRO [NH3+]C[C@@H]1CN(S(=O)(=O)Cc2cccc(C(F)(F)F)c2)C[C@@H]1C(F)(F)F ZINC000871812913 662735104 /nfs/dbraw/zinc/73/51/04/662735104.db2.gz DTOQIUFDHBRRAH-PWSUYJOCSA-N 1 0 390.349 2.604 20 0 GFADRO Cc1nn(C)c(Cl)c1S(=O)(=O)N1CCC[C@@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000871822043 662735923 /nfs/dbraw/zinc/73/59/23/662735923.db2.gz AEVJPGMRZLRHAF-ZFWWWQNUSA-N 1 0 388.965 2.690 20 0 GFADRO CC(C)OC[C@H](O)C[NH2+]CC1(c2cccc(Br)c2)CCOCC1 ZINC000871974500 662748290 /nfs/dbraw/zinc/74/82/90/662748290.db2.gz HDXSYQVNZFPLJC-QGZVFWFLSA-N 1 0 386.330 2.873 20 0 GFADRO CCc1nncn1CC[NH2+][C@H](c1cccc(Br)c1)[C@H]1CCOC1 ZINC000872039754 662754477 /nfs/dbraw/zinc/75/44/77/662754477.db2.gz VEXMHCBUOUKGMB-WMLDXEAASA-N 1 0 379.302 2.970 20 0 GFADRO O[C@H](C[NH2+][C@@H](c1cccc(Br)c1)[C@H]1CCOC1)C1CCOCC1 ZINC000872050379 662754676 /nfs/dbraw/zinc/75/46/76/662754676.db2.gz ZKIDHELQCLFANC-JQHSSLGASA-N 1 0 384.314 2.904 20 0 GFADRO CC[C@H]([NH2+]CCNS(=O)(=O)c1ccc(F)cc1Cl)[C@H]1CCCOC1 ZINC000872070653 662755296 /nfs/dbraw/zinc/75/52/96/662755296.db2.gz VUFRICDMNGZVGF-WFASDCNBSA-N 1 0 378.897 2.552 20 0 GFADRO CS(=O)(=O)CCCC[NH2+][C@@H](c1cccc(Br)c1)[C@H]1CCOC1 ZINC000872079866 662755379 /nfs/dbraw/zinc/75/53/79/662755379.db2.gz LTHWREXTPXRSNH-HOCLYGCPSA-N 1 0 390.343 2.941 20 0 GFADRO Brc1cccc([C@@H]([NH2+]CCN2C[C@H]3CC[C@@H](C2)O3)[C@H]2CCOC2)c1 ZINC000872076918 662755459 /nfs/dbraw/zinc/75/54/59/662755459.db2.gz VLOYDIGKVQKUHZ-GDAAHCPNSA-N 1 0 395.341 2.980 20 0 GFADRO C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+]CCn1ccc(C(F)(F)F)n1 ZINC000872110991 662756186 /nfs/dbraw/zinc/75/61/86/662756186.db2.gz WFQYZGCJKBFNEE-SNVBAGLBSA-N 1 0 375.782 2.957 20 0 GFADRO C[C@H](c1ccc(Cl)cc1)N(C)C(=O)CN1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000872147678 662756378 /nfs/dbraw/zinc/75/63/78/662756378.db2.gz CVZXUOREUJVWNU-OSAQELSMSA-N 1 0 377.838 2.928 20 0 GFADRO [NH3+]C[C@@H]1CN(CC(=O)Nc2ccc(Br)cc2F)C[C@@H]1C(F)(F)F ZINC000872147045 662756406 /nfs/dbraw/zinc/75/64/06/662756406.db2.gz CIHLMHQLHIBLEJ-SCZZXKLOSA-N 1 0 398.198 2.596 20 0 GFADRO C[C@@]1(c2nc(-c3ccc(Br)cc3OC(F)F)no2)C[NH2+]CCO1 ZINC000872178082 662757416 /nfs/dbraw/zinc/75/74/16/662757416.db2.gz RDHAGDLAVNWXTD-AWEZNQCLSA-N 1 0 390.184 2.936 20 0 GFADRO O[C@@H](C[NH2+][C@H]1CCOc2c(Cl)c(Cl)ccc21)CC1(O)CCOCC1 ZINC000872206975 662757750 /nfs/dbraw/zinc/75/77/50/662757750.db2.gz FPWLBPPEPFFHDA-RISCZKNCSA-N 1 0 376.280 2.699 20 0 GFADRO O[C@H](C[NH2+]C[C@H]1CC2(CO1)CCOCC2)COc1cc(Cl)cc(Cl)c1 ZINC000872228620 662758225 /nfs/dbraw/zinc/75/82/25/662758225.db2.gz HSTDVFXGGCQALL-NVXWUHKLSA-N 1 0 390.307 2.908 20 0 GFADRO CC(=O)N[C@@H](C(=O)N[C@H]1CC[NH2+]CC(C)(C)C1)c1cccc(Br)c1 ZINC000872276918 662759669 /nfs/dbraw/zinc/75/96/69/662759669.db2.gz UFWCVZUTAXKBFH-JKSUJKDBSA-N 1 0 396.329 2.521 20 0 GFADRO CC(=O)N[C@H](C(=O)N[C@H]1CC[NH2+]CC(C)(C)C1)c1cccc(Br)c1 ZINC000872276916 662759706 /nfs/dbraw/zinc/75/97/06/662759706.db2.gz UFWCVZUTAXKBFH-HOTGVXAUSA-N 1 0 396.329 2.521 20 0 GFADRO CN(C1CC[NH+](C)CC1)S(=O)(=O)CCCc1ccc(C(F)(F)F)cc1 ZINC000872430311 662765481 /nfs/dbraw/zinc/76/54/81/662765481.db2.gz PTGKQRSAKHABLH-UHFFFAOYSA-N 1 0 378.460 2.994 20 0 GFADRO CC1CC[NH+](C2CCC(NS(=O)(=O)N=[S@](C)(=O)C(C)(C)C)CC2)CC1 ZINC000872466140 662769904 /nfs/dbraw/zinc/76/99/04/662769904.db2.gz IQPSGCPLXRTALX-KQPQDQJMSA-N 1 0 393.619 2.760 20 0 GFADRO CC(=O)NC1CCC([NH2+]Cc2cccc(F)c2I)CC1 ZINC000873034890 662797276 /nfs/dbraw/zinc/79/72/76/662797276.db2.gz BCUKIKVDYGJARC-UHFFFAOYSA-N 1 0 390.240 2.967 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)C(=O)Nc2ccc(Cl)cc2Cl)C[C@H]1C(F)(F)F ZINC000873103549 662799813 /nfs/dbraw/zinc/79/98/13/662799813.db2.gz FYUUTIZRXDLZFD-IONNQARKSA-N 1 0 384.185 2.528 20 0 GFADRO CO[C@@H]1COCC[C@H]1C[NH2+]Cc1cccc(F)c1I ZINC000873131110 662800993 /nfs/dbraw/zinc/80/09/93/662800993.db2.gz MBNPAFDCCKRFCM-GXFFZTMASA-N 1 0 379.213 2.571 20 0 GFADRO [NH3+]C[C@@H]1CN(Cc2cc(Br)cc3c2OCC3)C[C@H]1C(F)(F)F ZINC000873227294 662804098 /nfs/dbraw/zinc/80/40/98/662804098.db2.gz FSEJAUORUQDMLR-DGCLKSJQSA-N 1 0 379.220 2.953 20 0 GFADRO [NH3+]C[C@H]1CN(Cc2cc(Br)cc3c2OCC3)C[C@@H]1C(F)(F)F ZINC000873227293 662804122 /nfs/dbraw/zinc/80/41/22/662804122.db2.gz FSEJAUORUQDMLR-AAEUAGOBSA-N 1 0 379.220 2.953 20 0 GFADRO [NH3+]CC[C@@H](NC(=O)NCc1cc(C(F)(F)F)cc(Cl)n1)C(F)(F)F ZINC000873333084 662805758 /nfs/dbraw/zinc/80/57/58/662805758.db2.gz OMXHSQWSSFGCJS-MRVPVSSYSA-N 1 0 378.704 2.833 20 0 GFADRO Cc1ccc(C(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3C)cc1I ZINC000874837645 662838007 /nfs/dbraw/zinc/83/80/07/662838007.db2.gz IUMNBLKRKCHOMW-LSDHHAIUSA-N 1 0 384.261 2.908 20 0 GFADRO COc1cc(/C=C\C(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3C)cc(Br)c1O ZINC000874847043 662838316 /nfs/dbraw/zinc/83/83/16/662838316.db2.gz LYGLUCMGZKIADP-JGUVHBTRSA-N 1 0 395.297 2.872 20 0 GFADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@H]2C(=O)Nc2ccc(F)cc2Br)cn1 ZINC000875179015 662842964 /nfs/dbraw/zinc/84/29/64/662842964.db2.gz YXUVNBFCGZTYQJ-KGLIPLIRSA-N 1 0 395.276 2.996 20 0 GFADRO C[NH+](C)C1(C)CCC(NC(=O)CCS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000876330447 662859893 /nfs/dbraw/zinc/85/98/93/662859893.db2.gz BJHJGLREUBSTFC-UHFFFAOYSA-N 1 0 386.945 2.883 20 0 GFADRO C[C@]1(Br)C[C@H]1C(=O)Nc1cccc(C(=O)OC2CC[NH2+]CC2)c1 ZINC000876519541 662862391 /nfs/dbraw/zinc/86/23/91/662862391.db2.gz HBSLLYBOGWQNLF-YOEHRIQHSA-N 1 0 381.270 2.707 20 0 GFADRO O=C(N1CCO[C@@H](c2ccccc2Br)C1)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000876628346 662863770 /nfs/dbraw/zinc/86/37/70/662863770.db2.gz PMLRJOIJYITZNT-NUJGCVRESA-N 1 0 379.298 2.881 20 0 GFADRO O=C([C@H](F)[C@H]1CC[NH2+]C1)N1CCO[C@@H](c2cc(F)c(Cl)cc2Cl)C1 ZINC000876649370 662864235 /nfs/dbraw/zinc/86/42/35/662864235.db2.gz UFZVBTQYBCURCA-TZTCFGBESA-N 1 0 379.234 2.980 20 0 GFADRO COCC[NH2+]CCNC(=O)c1cnc(-c2ccccc2Br)s1 ZINC000876791586 662866546 /nfs/dbraw/zinc/86/65/46/662866546.db2.gz NBVMIXXQPLIAGP-UHFFFAOYSA-N 1 0 384.299 2.538 20 0 GFADRO COc1cc(C(=O)Nc2cnn(C3CC[NH2+]CC3)c2)ccc1Br ZINC000876800683 662866691 /nfs/dbraw/zinc/86/66/91/662866691.db2.gz PPMMJLADMPRRIU-UHFFFAOYSA-N 1 0 379.258 2.831 20 0 GFADRO O=C(NC1CCC(N2CC[NH2+]CC2)CC1)c1ccc(SC(F)(F)F)o1 ZINC000876913765 662868008 /nfs/dbraw/zinc/86/80/08/662868008.db2.gz KSUNTDMNLPIZRM-UHFFFAOYSA-N 1 0 377.432 2.838 20 0 GFADRO CCO[P@](C)(=O)CC[C@@H](C)[NH2+]Cc1ccccc1S(=O)(=O)N(C)C ZINC000876921337 662868141 /nfs/dbraw/zinc/86/81/41/662868141.db2.gz CLAUOCAHRWXQDE-FATZIPQQSA-N 1 0 376.459 2.750 20 0 GFADRO [NH3+][C@H](C(=O)NC[C@@H](n1cccn1)C(F)(F)F)c1cccc(Br)c1 ZINC000876990951 662869372 /nfs/dbraw/zinc/86/93/72/662869372.db2.gz FSDOALSATKAAHD-NEPJUHHUSA-N 1 0 391.191 2.565 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)c2sc(N3CCCC3)nc2Cl)CC[C@H]1C(F)(F)F ZINC000877016216 662869695 /nfs/dbraw/zinc/86/96/95/662869695.db2.gz DELPHBHLSWMXTI-NXEZZACHSA-N 1 0 396.866 2.996 20 0 GFADRO Cn1nc(C2CCOCC2)cc1NC(=O)[C@H]([NH3+])c1cccc(Br)c1 ZINC000877036722 662869959 /nfs/dbraw/zinc/86/99/59/662869959.db2.gz TXRQOORFURZDLV-MRXNPFEDSA-N 1 0 393.285 2.715 20 0 GFADRO Cn1ccc(N2CCC[C@H]([NH2+]Cc3cc4nc(Cl)ccc4s3)C2=O)n1 ZINC000877067281 662870678 /nfs/dbraw/zinc/87/06/78/662870678.db2.gz FTLUIMIOJULBRB-LBPRGKRZSA-N 1 0 375.885 2.968 20 0 GFADRO CCO[P@@](C)(=O)CC[C@H](C)[NH2+]C1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000877108527 662871088 /nfs/dbraw/zinc/87/10/88/662871088.db2.gz PJAAJQGKFMBUBH-BSNNYGBQSA-N 1 0 394.396 2.613 20 0 GFADRO C[C@H]([NH3+])CN(C)C(=O)c1cc(I)cc(C(F)(F)F)c1 ZINC000877099291 662871098 /nfs/dbraw/zinc/87/10/98/662871098.db2.gz JRENLFKCUYTVFL-ZETCQYMHSA-N 1 0 386.155 2.729 20 0 GFADRO C[C@@H]([NH3+])CN(C)C(=O)Cc1ccc(NC(=O)c2ccc(Br)o2)cc1 ZINC000877099395 662871104 /nfs/dbraw/zinc/87/11/04/662871104.db2.gz FQQHRIRCSXRWDG-LLVKDONJSA-N 1 0 394.269 2.643 20 0 GFADRO O=C(/C=C\c1ccc(Br)o1)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000877114674 662871156 /nfs/dbraw/zinc/87/11/56/662871156.db2.gz XREQWYJCSXTJHC-HKLWWIALSA-N 1 0 383.286 2.672 20 0 GFADRO CCO[P@](C)(=O)CC[C@H](C)[NH2+]C1CCN(S(=O)(=O)CC(C)C)CC1 ZINC000877140962 662871654 /nfs/dbraw/zinc/87/16/54/662871654.db2.gz CGJCXQAAVLMGED-WNSKOXEYSA-N 1 0 382.507 2.749 20 0 GFADRO O[C@@]1(c2ccc(F)cc2)CC[N@H+](Cc2cnn3cc(Br)cnc23)C1 ZINC000877140068 662871672 /nfs/dbraw/zinc/87/16/72/662871672.db2.gz LSYOLTFGMINIEN-KRWDZBQOSA-N 1 0 391.244 2.724 20 0 GFADRO C[NH+](C)C1CCN(CCNCc2nc(Cl)ccc2Br)CC1 ZINC000877158338 662871811 /nfs/dbraw/zinc/87/18/11/662871811.db2.gz HNSOSKDUWDGJPR-UHFFFAOYSA-N 1 0 375.742 2.613 20 0 GFADRO [NH3+]C[C@H]1CC[C@H](NC(=O)CN2C(=S)N=NC2c2ccc(Cl)cc2)CC1 ZINC000877180500 662872006 /nfs/dbraw/zinc/87/20/06/662872006.db2.gz NVCHSUSEXTVYSV-YEORSEQZSA-N 1 0 379.917 2.521 20 0 GFADRO [NH3+][C@@H](C(=O)NCc1cccc2c1CCOC2)c1cccc(Br)c1 ZINC000877202745 662872141 /nfs/dbraw/zinc/87/21/41/662872141.db2.gz FSBMKBORUCMQGD-QGZVFWFLSA-N 1 0 375.266 2.838 20 0 GFADRO O=C(N[C@@H]1[C@@H]2Cc3ccc(Br)cc3[C@@H]21)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000877261096 662872606 /nfs/dbraw/zinc/87/26/06/662872606.db2.gz IKBXRKMWTFQZCB-IREHDKGXSA-N 1 0 375.310 2.839 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000877277757 662872981 /nfs/dbraw/zinc/87/29/81/662872981.db2.gz ONSMTVFKCQQMOH-SJORKVTESA-N 1 0 389.297 2.910 20 0 GFADRO Cc1c(C(=O)N2CCC[C@@H]3[NH2+]CC[C@H]32)cnn1-c1ccc(Br)cc1 ZINC000877285495 662873133 /nfs/dbraw/zinc/87/31/33/662873133.db2.gz URZWZMSJZCWGQL-DLBZAZTESA-N 1 0 389.297 2.910 20 0 GFADRO O=C(c1cc(Cl)ccc1I)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000877284258 662873162 /nfs/dbraw/zinc/87/31/62/662873162.db2.gz LVOSWBFPCPADQR-STQMWFEESA-N 1 0 390.652 2.911 20 0 GFADRO CCO[C@@H]1C[C@]([NH3+])(C(=O)NCc2cc(C(F)(F)F)cc(Cl)n2)C1(C)C ZINC000877313267 662873347 /nfs/dbraw/zinc/87/33/47/662873347.db2.gz QBFZIXWDISXPBS-ABAIWWIYSA-N 1 0 379.810 2.903 20 0 GFADRO Cc1cccc(CC(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)c1Br ZINC000877327681 662873657 /nfs/dbraw/zinc/87/36/57/662873657.db2.gz WHRYNMFRMTXGAO-OAHLLOKOSA-N 1 0 381.314 2.575 20 0 GFADRO O=C(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)c1cc(F)c(F)cc1Br ZINC000877330535 662873769 /nfs/dbraw/zinc/87/37/69/662873769.db2.gz CTUKDDRZFFWBGG-JTQLQIEISA-N 1 0 389.240 2.616 20 0 GFADRO O=C(CCc1cc(Br)cs1)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000877332460 662873847 /nfs/dbraw/zinc/87/38/47/662873847.db2.gz BEHJKACIGNSNHQ-CYBMUJFWSA-N 1 0 387.343 2.718 20 0 GFADRO O=C(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)c1cc(Cl)ccc1Br ZINC000877336853 662873865 /nfs/dbraw/zinc/87/38/65/662873865.db2.gz PFKQWMDRRFIMKY-LBPRGKRZSA-N 1 0 387.705 2.991 20 0 GFADRO CC(C)(C)n1cc(Br)c(C(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)n1 ZINC000877354478 662874137 /nfs/dbraw/zinc/87/41/37/662874137.db2.gz BEEUGGHRTIHPTA-BDAKNGLRSA-N 1 0 397.239 2.610 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)CCOc2cccc(Br)c2)C[C@H]1C(F)(F)F ZINC000877365306 662874743 /nfs/dbraw/zinc/87/47/43/662874743.db2.gz DOJZNRRZJOCOBX-GXFFZTMASA-N 1 0 395.219 2.814 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)Cc2ccc(F)c(Br)c2)C[C@@H]1C(F)(F)F ZINC000877369756 662874951 /nfs/dbraw/zinc/87/49/51/662874951.db2.gz XRFSNEWEGCERRA-UWVGGRQHSA-N 1 0 383.183 2.726 20 0 GFADRO COC(=O)CC[C@H]1CCCN(C(=O)[C@](C)([NH3+])c2ccc(Br)cc2)C1 ZINC000877381934 662875152 /nfs/dbraw/zinc/87/51/52/662875152.db2.gz LLSKSYZFCZVNLL-FZKQIMNGSA-N 1 0 397.313 2.815 20 0 GFADRO O=C(N[C@@]12CCC[C@H]1[NH2+]CC2)c1cnn(-c2cccc(Br)c2)c1 ZINC000877391960 662875317 /nfs/dbraw/zinc/87/53/17/662875317.db2.gz KNGJHFIBLBYMPV-NVXWUHKLSA-N 1 0 375.270 2.649 20 0 GFADRO O=C(CS(=O)(=O)c1ccc(Cl)cc1)N[C@@H]1CCCCC12CC[NH2+]CC2 ZINC000877401725 662875533 /nfs/dbraw/zinc/87/55/33/662875533.db2.gz NIFHNGUGIBRIBA-MRXNPFEDSA-N 1 0 384.929 2.542 20 0 GFADRO Cn1cc(Br)c(C(=O)N2CCC[C@H](C[C@H]([NH3+])C3CCCC3)C2)n1 ZINC000877447122 662876129 /nfs/dbraw/zinc/87/61/29/662876129.db2.gz XZXUTVNEFKBWKY-DOMZBBRYSA-N 1 0 383.334 2.942 20 0 GFADRO O=S1(=O)CCC(C[NH2+][C@H]2CCN(c3ccc(Cl)cc3Cl)C2)CC1 ZINC000877469367 662876531 /nfs/dbraw/zinc/87/65/31/662876531.db2.gz TULMOBKGXMSTHI-AWEZNQCLSA-N 1 0 377.337 2.987 20 0 GFADRO Cc1ccc(Br)c(F)c1C[N@@H+]1CCC[C@H]1C[C@@]1(C)NC(=O)NC1=O ZINC000877517544 662877747 /nfs/dbraw/zinc/87/77/47/662877747.db2.gz NQEXOHPDMNPYBE-APPDUMDISA-N 1 0 398.276 2.849 20 0 GFADRO CCO[P@@](C)(=O)CC[C@H](C)[NH2+]Cc1cccc(S(=O)(=O)N(C)C)c1 ZINC000877564423 662878870 /nfs/dbraw/zinc/87/88/70/662878870.db2.gz AFHVIWJATYMZQC-LFVRLGFBSA-N 1 0 376.459 2.750 20 0 GFADRO O=C1CC[C@@H]([NH+]2CCN(Cc3cc4nc(Cl)ccc4s3)CC2)CCN1 ZINC000877572684 662879150 /nfs/dbraw/zinc/87/91/50/662879150.db2.gz HITCTPUNOVQAMF-CYBMUJFWSA-N 1 0 378.929 2.736 20 0 GFADRO Cn1ncc2cc(C[N@H+](C)C[C@H](O)c3ccccc3Br)cnc21 ZINC000877576742 662879313 /nfs/dbraw/zinc/87/93/13/662879313.db2.gz PLTAOJWNLXJFQF-INIZCTEOSA-N 1 0 375.270 2.896 20 0 GFADRO CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2COc3cccc(Br)c3C2)C1 ZINC000877758455 662882965 /nfs/dbraw/zinc/88/29/65/662882965.db2.gz BWCUVYDLKHVDQU-RWMBFGLXSA-N 1 0 388.327 2.698 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+]CC2(c3ccc(Br)cc3)CC2)o1 ZINC000877805108 662884539 /nfs/dbraw/zinc/88/45/39/662884539.db2.gz IUEYPMFCCGUGON-UHFFFAOYSA-N 1 0 385.283 2.511 20 0 GFADRO O=C([C@@H]1CCC[N@@H+](C[C@@H](O)c2ccc(Cl)c(Cl)c2)C1)N1CCOCC1 ZINC000877928036 662886144 /nfs/dbraw/zinc/88/61/44/662886144.db2.gz KXQFBNQMYMXBBW-RHSMWYFYSA-N 1 0 387.307 2.598 20 0 GFADRO C[C@H](c1ccc(-n2cncn2)cc1)[N@H+](C)C[C@@H](O)c1cc(Br)no1 ZINC000877944188 662886684 /nfs/dbraw/zinc/88/66/84/662886684.db2.gz VMAYMJQTPIHLFY-BXUZGUMPSA-N 1 0 392.257 2.744 20 0 GFADRO CNC(=O)CCOC1CC[NH+](C[C@@H](O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000878168542 662891021 /nfs/dbraw/zinc/89/10/21/662891021.db2.gz FYUFSEUFEMIQAH-MRXNPFEDSA-N 1 0 375.296 2.644 20 0 GFADRO CC(C)[C@@H](CO)[N@@H+](Cc1ccccc1)C[C@@H](O)c1cc(Br)no1 ZINC000878169399 662891045 /nfs/dbraw/zinc/89/10/45/662891045.db2.gz MCLVMUVPLQNIDP-HUUCEWRRSA-N 1 0 383.286 2.990 20 0 GFADRO C[N@H+](CCc1ccc(C(N)=O)cc1)[C@@H](CO)c1cccc(Br)c1 ZINC000878328597 662893968 /nfs/dbraw/zinc/89/39/68/662893968.db2.gz JQOVCSBROAYVAN-KRWDZBQOSA-N 1 0 377.282 2.756 20 0 GFADRO C[N@H+](C[C@@H](O)CC1(CO)CCCC1)[C@H](CO)c1cccc(Br)c1 ZINC000878328473 662893977 /nfs/dbraw/zinc/89/39/77/662893977.db2.gz JCIRBHXCIWGOBK-DLBZAZTESA-N 1 0 386.330 2.718 20 0 GFADRO CN(C[C@@H]1CCC[N@H+](CCc2ccccc2Br)C1)S(C)(=O)=O ZINC000878598383 662899878 /nfs/dbraw/zinc/89/98/78/662899878.db2.gz FXRXIOHSCJSCJH-AWEZNQCLSA-N 1 0 389.359 2.595 20 0 GFADRO OC[C@@H]([NH2+]C[C@@H]1CC2(CO1)CCOCC2)c1ccc(Br)c(F)c1 ZINC000878646229 662901727 /nfs/dbraw/zinc/90/17/27/662901727.db2.gz XKCCTPXJHIADAS-XJKSGUPXSA-N 1 0 388.277 2.797 20 0 GFADRO C[N@H+](C[C@H](O)C[C@@H](O)c1ccccc1)C[C@@H](O)c1ccccc1Br ZINC000878692039 662902726 /nfs/dbraw/zinc/90/27/26/662902726.db2.gz VCCUZZOSKLRDRA-ATZDWAIDSA-N 1 0 394.309 2.899 20 0 GFADRO NC(=O)c1ccc(CC[N@@H+]2CC[C@@H](Oc3cncc(Br)c3)C2)cc1 ZINC000878875789 662908071 /nfs/dbraw/zinc/90/80/71/662908071.db2.gz FWKAPUBFKWMGOJ-MRXNPFEDSA-N 1 0 390.281 2.639 20 0 GFADRO CC[N@H+](CCOc1ccccc1OC)C[C@@H](O)c1cc(Br)no1 ZINC000878996714 662912684 /nfs/dbraw/zinc/91/26/84/662912684.db2.gz MCQICJOXQYTLBD-GFCCVEGCSA-N 1 0 385.258 2.880 20 0 GFADRO C[C@H](NC(=O)CN1CC[C@@H]2[C@H](CC[N@@H+]2C)C1)c1ccc(Br)cc1 ZINC000879569022 662929575 /nfs/dbraw/zinc/92/95/75/662929575.db2.gz HOTMQJXVXQKNOS-YSVLISHTSA-N 1 0 380.330 2.652 20 0 GFADRO C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879570687 662929771 /nfs/dbraw/zinc/92/97/71/662929771.db2.gz DOUSKAXFZYEFHS-QGPMSJSTSA-N 1 0 394.357 2.822 20 0 GFADRO OC[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ccc(Br)c2cccnc12 ZINC000880071427 662950300 /nfs/dbraw/zinc/95/03/00/662950300.db2.gz INYNQTNTCAWRJW-LSDHHAIUSA-N 1 0 376.298 2.638 20 0 GFADRO O[C@H](CN1CCC[C@@H]([NH2+]C2CCOCC2)C1)c1ccc(Br)cc1 ZINC000880201247 662954379 /nfs/dbraw/zinc/95/43/79/662954379.db2.gz IKWBQZSAORWOTN-QZTJIDSGSA-N 1 0 383.330 2.716 20 0 GFADRO C[C@@H](c1ccccc1)[NH+]1CCN(C[C@@H](O)c2cc(Br)no2)CC1 ZINC000880251201 662956371 /nfs/dbraw/zinc/95/63/71/662956371.db2.gz JWZQFFMASZARJZ-DZGCQCFKSA-N 1 0 380.286 2.849 20 0 GFADRO O[C@@H]1C[N@H+](CCOc2cc(F)cc(Br)c2)CC2(CCOCC2)C1 ZINC000880581700 662962865 /nfs/dbraw/zinc/96/28/65/662962865.db2.gz FVEAWEHXGKVQCU-HNNXBMFYSA-N 1 0 388.277 2.830 20 0 GFADRO O[C@@H](COc1ccc(Cl)cc1Cl)C[N@@H+]1C[C@@H](O)CC2(CCOCC2)C1 ZINC000880588389 662963373 /nfs/dbraw/zinc/96/33/73/662963373.db2.gz FAEUWZXJBFOKCG-LSDHHAIUSA-N 1 0 390.307 2.597 20 0 GFADRO CC(=O)c1ccc(Br)c(NC(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)c1 ZINC000880805045 662972726 /nfs/dbraw/zinc/97/27/26/662972726.db2.gz BCHDKNOCNAFWOL-KBPBESRZSA-N 1 0 396.285 2.636 20 0 GFADRO CN1CC[NH+](C2CCN(C(=O)Nc3cccc(F)c3Br)CC2)CC1 ZINC000881136594 662982471 /nfs/dbraw/zinc/98/24/71/662982471.db2.gz VUCHHJYUTGZZDM-UHFFFAOYSA-N 1 0 399.308 2.832 20 0 GFADRO O=C(N[C@@H](c1cccc(Cl)c1)C(F)F)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000881217837 662985105 /nfs/dbraw/zinc/98/51/05/662985105.db2.gz AJTRFJWNPWCJGK-CABCVRRESA-N 1 0 375.847 2.792 20 0 GFADRO [NH3+][C@H](c1cn(Cc2nccn2CC(F)F)nn1)c1ccc(Br)cc1 ZINC000881363650 662991555 /nfs/dbraw/zinc/99/15/55/662991555.db2.gz RTEIDGBTBUWHRA-HNNXBMFYSA-N 1 0 397.227 2.599 20 0 GFADRO O=C(Cc1ccccc1Br)N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000881471146 662995286 /nfs/dbraw/zinc/99/52/86/662995286.db2.gz AFSNAZWDYVNVPJ-INIZCTEOSA-N 1 0 381.314 2.751 20 0 GFADRO C[C@H](CC(=O)N1CCN(c2cc[nH+]cc2)[C@H](C)C1)n1cc(Br)cn1 ZINC000881630812 662998409 /nfs/dbraw/zinc/99/84/09/662998409.db2.gz NJWUYCIHJMJZHJ-ZIAGYGMSSA-N 1 0 392.301 2.729 20 0 GFADRO Cc1c(Br)cncc1C(=O)N1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000881631237 662998479 /nfs/dbraw/zinc/99/84/79/662998479.db2.gz RSEYRPZKOLFOMD-LBPRGKRZSA-N 1 0 375.270 2.898 20 0 GFADRO C[C@@H]1CN(C(=O)c2c(F)cncc2Br)CCN1c1cc[nH+]cc1 ZINC000881630256 662998554 /nfs/dbraw/zinc/99/85/54/662998554.db2.gz OPIBPQCPKPPHMY-LLVKDONJSA-N 1 0 379.233 2.729 20 0 GFADRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)S(=O)(=O)c1cnc(Cl)cc1C(F)(F)F ZINC000881933245 663010269 /nfs/dbraw/zinc/01/02/69/663010269.db2.gz PUIUHSRSZMCEDX-MWLCHTKSSA-N 1 0 385.839 2.715 20 0 GFADRO N=[S@](=O)(c1ccc(N2CC[NH+](C3CCOCC3)CC2)cc1)C(F)(F)F ZINC000882048760 663014976 /nfs/dbraw/zinc/01/49/76/663014976.db2.gz FUFPKSJXBXNOCE-VWLOTQADSA-N 1 0 377.432 2.913 20 0 GFADRO N=[S@](=O)(c1ccc(N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)cc1)C(F)(F)F ZINC000882635586 663034423 /nfs/dbraw/zinc/03/44/23/663034423.db2.gz ILQMAIQYZSCDNJ-PWECECGKSA-N 1 0 377.432 2.647 20 0 GFADRO COC[C@H]([NH2+]C[C@H](CO)Cc1ccc(Br)cc1)[C@@H]1CCCOC1 ZINC000883219563 663051545 /nfs/dbraw/zinc/05/15/45/663051545.db2.gz VWEOOHJXQDXESO-NUJGCVRESA-N 1 0 386.330 2.631 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]CCc1ccns1 ZINC000883239403 663051890 /nfs/dbraw/zinc/05/18/90/663051890.db2.gz FXEKLTDDKSLIIW-NSHDSACASA-N 1 0 398.326 2.751 20 0 GFADRO O=C(c1ccccc1Cl)N1CCC([NH2+]CC[C@H]2CCCS2(=O)=O)CC1 ZINC000883297034 663052657 /nfs/dbraw/zinc/05/26/57/663052657.db2.gz DONADMYEQLHQJL-OAHLLOKOSA-N 1 0 384.929 2.502 20 0 GFADRO C[C@@H]([NH2+]CC1(S(=O)(=O)NC(C)(C)C)CC1)c1cncc(Br)c1 ZINC000883301009 663053022 /nfs/dbraw/zinc/05/30/22/663053022.db2.gz NQVANHRITLOYCM-LLVKDONJSA-N 1 0 390.347 2.745 20 0 GFADRO O=C1Nc2ccc(Br)cc2CC[C@@H]1N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000883377304 663054208 /nfs/dbraw/zinc/05/42/08/663054208.db2.gz DQCQBMFTMBGSSZ-INMHGKMJSA-N 1 0 378.314 2.919 20 0 GFADRO CS(=O)(=O)[C@H]1C[C@H]([NH2+][C@@H](c2ccc(Br)cc2)[C@H]2CCCO2)C1 ZINC000883375023 663054268 /nfs/dbraw/zinc/05/42/68/663054268.db2.gz ZSRMXSSCNBHXHV-FPCVCCKLSA-N 1 0 388.327 2.834 20 0 GFADRO [NH3+]CCN(CC(F)(F)F)S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000883471210 663055612 /nfs/dbraw/zinc/05/56/12/663055612.db2.gz AXHLYONVWYVEIH-UHFFFAOYSA-N 1 0 384.729 2.871 20 0 GFADRO C[NH2+]C[C@H]1CCCCN1S(=O)(=O)c1cc(Cl)ccc1O[C@@H](C)COC ZINC000883473839 663055760 /nfs/dbraw/zinc/05/57/60/663055760.db2.gz PRAAGODEUPGFHJ-DZGCQCFKSA-N 1 0 390.933 2.516 20 0 GFADRO Cc1cc(Br)nc(NC(=O)N2CCc3sc(C[NH3+])nc3C2)c1 ZINC000883569299 663057231 /nfs/dbraw/zinc/05/72/31/663057231.db2.gz UTEYOYPQGOKJAY-UHFFFAOYSA-N 1 0 382.287 2.658 20 0 GFADRO CCCN(C(=O)[C@@H]1Cc2ccc(Br)cc2C(=O)O1)C1CC[NH2+]CC1 ZINC000884175378 663066511 /nfs/dbraw/zinc/06/65/11/663066511.db2.gz RFMDGFHDKPUBLZ-INIZCTEOSA-N 1 0 395.297 2.521 20 0 GFADRO C[C@H](CNC(=O)NCCc1ccc(Cl)c(Cl)c1)C[NH+]1CCN(C)CC1 ZINC000884199062 663066942 /nfs/dbraw/zinc/06/69/42/663066942.db2.gz NPQKJRJETHVRKF-CQSZACIVSA-N 1 0 387.355 2.719 20 0 GFADRO Cc1cnc(N2CCN(C(=O)[C@H]([NH3+])c3ccc(Br)cc3)CC2)s1 ZINC000884224647 663067239 /nfs/dbraw/zinc/06/72/39/663067239.db2.gz VAXVEFQVKUAAFO-CQSZACIVSA-N 1 0 395.326 2.563 20 0 GFADRO O=C(COCCc1ccc(Br)cc1)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000884239283 663067558 /nfs/dbraw/zinc/06/75/58/663067558.db2.gz QXMKVYMAGSDYDN-SJLPKXTDSA-N 1 0 395.341 2.999 20 0 GFADRO CC1([NH3+])CCN(C(=O)c2cc(Br)nn2-c2ncccc2Cl)CC1 ZINC000884266559 663067774 /nfs/dbraw/zinc/06/77/74/663067774.db2.gz ZJOFVZBXTLPGPR-UHFFFAOYSA-N 1 0 398.692 2.637 20 0 GFADRO COCC1(CNC(=O)CCCc2ccc(Br)cc2)CC[NH2+]CC1 ZINC000884283965 663068046 /nfs/dbraw/zinc/06/80/46/663068046.db2.gz ZWUXNIOQBPKMHX-UHFFFAOYSA-N 1 0 383.330 2.904 20 0 GFADRO O=C(COCCc1ccc(Br)cc1)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000884301247 663068425 /nfs/dbraw/zinc/06/84/25/663068425.db2.gz RNMDLKYMMPGEGS-IAGOWNOFSA-N 1 0 395.341 2.856 20 0 GFADRO Cc1ccc(F)c(Br)c1C(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000884299957 663068493 /nfs/dbraw/zinc/06/84/93/663068493.db2.gz KKDOJDOKTBNKCR-CJNGLKHVSA-N 1 0 385.277 2.865 20 0 GFADRO [NH3+][C@@H](C(=O)NCc1nnc(C2CC2)n1C1CC1)c1ccc(Br)cc1 ZINC000884332057 663069127 /nfs/dbraw/zinc/06/91/27/663069127.db2.gz DIIWNLUHPYXMJT-OAHLLOKOSA-N 1 0 390.285 2.569 20 0 GFADRO COc1cccc([C@@H](CNC(=O)[C@@H]([NH3+])c2ccc(Br)cc2)OC)c1 ZINC000884428181 663070575 /nfs/dbraw/zinc/07/05/75/663070575.db2.gz VCCTXMRFBOFGSO-SJORKVTESA-N 1 0 393.281 2.961 20 0 GFADRO COc1cc2[nH+]ccc(N[C@H]3CC[C@@H](O)[C@@H](O)CC3)c2cc1Br ZINC000884625730 663073186 /nfs/dbraw/zinc/07/31/86/663073186.db2.gz QPQPYZIZWJLHOI-ASENMTNGSA-N 1 0 381.270 2.504 20 0 GFADRO [NH3+]C[C@H]1CC[C@H](NC(=O)C(=O)NCCCc2c(Cl)cccc2Cl)CC1 ZINC000884775883 663075372 /nfs/dbraw/zinc/07/53/72/663075372.db2.gz LASQEUAFISXFIP-JOCQHMNTSA-N 1 0 386.323 2.676 20 0 GFADRO O=S(=O)(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(OCC(F)(F)F)cc1 ZINC000884949936 663079241 /nfs/dbraw/zinc/07/92/41/663079241.db2.gz ITMWPKWKZPDRIZ-OLZOCXBDSA-N 1 0 378.416 2.533 20 0 GFADRO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000885014560 663083118 /nfs/dbraw/zinc/08/31/18/663083118.db2.gz JFBADRNCYYAEHY-WSXDHINRSA-N 1 0 384.307 2.599 20 0 GFADRO CC(C)n1cc(Br)cc1C(=O)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000885872438 663099681 /nfs/dbraw/zinc/09/96/81/663099681.db2.gz FYHRUUSFVMQMBI-OAHLLOKOSA-N 1 0 384.318 2.815 20 0 GFADRO C[C@@H](Cc1ccc(Br)cc1)C(=O)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000885875045 663099857 /nfs/dbraw/zinc/09/98/57/663099857.db2.gz DSWYZQFXHZOXHJ-KBXCAEBGSA-N 1 0 395.341 2.997 20 0 GFADRO CO[C@@H](C(=O)NC[C@@H]1CC[N@@H+]1C1CCOCC1)c1ccccc1Br ZINC000885890349 663100515 /nfs/dbraw/zinc/10/05/15/663100515.db2.gz BLGPXZYYNHJZLF-WMLDXEAASA-N 1 0 397.313 2.506 20 0 GFADRO O=C(NC[C@H]1CC[N@@H+]1C1CCOCC1)[C@H]1CCc2cc(Br)ccc21 ZINC000885888388 663100560 /nfs/dbraw/zinc/10/05/60/663100560.db2.gz IFHIVJVGGZGQFC-AEFFLSMTSA-N 1 0 393.325 2.848 20 0 GFADRO Cc1cccc(CC(=O)NC[C@H]2CC[N@@H+]2C2CCOCC2)c1Br ZINC000885892872 663100732 /nfs/dbraw/zinc/10/07/32/663100732.db2.gz FIZDFTWTGQEGHA-MRXNPFEDSA-N 1 0 381.314 2.670 20 0 GFADRO O=C(Nc1ccc(Br)cn1)[C@@H]1CCC[N@H+](C[C@H]2C[C@]23CCOC3)C1 ZINC000886052682 663102826 /nfs/dbraw/zinc/10/28/26/663102826.db2.gz VYFNIKCMJITKCB-LBTNJELSSA-N 1 0 394.313 2.921 20 0 GFADRO C[C@H]([NH2+]C[C@](C)(O)C(F)F)c1ccc(Br)cc1OCCCO ZINC000886213513 663104940 /nfs/dbraw/zinc/10/49/40/663104940.db2.gz UYYWYFINTBNAAJ-BONVTDFDSA-N 1 0 382.245 2.877 20 0 GFADRO C[C@@H]([NH2+]C[C@](C)(O)C(F)F)c1ccc(Br)cc1OCCCO ZINC000886213512 663104987 /nfs/dbraw/zinc/10/49/87/663104987.db2.gz UYYWYFINTBNAAJ-BMIGLBTASA-N 1 0 382.245 2.877 20 0 GFADRO CCOC(=O)c1sc(CC2CC[NH+](C[C@](C)(O)C(F)F)CC2)nc1C ZINC000886317049 663108125 /nfs/dbraw/zinc/10/81/25/663108125.db2.gz XDXRZRHCDLNKNY-KRWDZBQOSA-N 1 0 376.469 2.899 20 0 GFADRO C[C@@H]1C[C@]2(CC[C@@H](C[NH2+]Cc3cn4ccc(Br)cc4n3)O2)CO1 ZINC000886330718 663108438 /nfs/dbraw/zinc/10/84/38/663108438.db2.gz WHBQIFKLLVDTRP-ISTRZQFTSA-N 1 0 380.286 2.913 20 0 GFADRO COC[C@@H]([NH2+]Cc1ccc(I)cc1)[C@H]1CCCOC1 ZINC000886357611 663108829 /nfs/dbraw/zinc/10/88/29/663108829.db2.gz JJJULDDEIRPJHQ-DZGCQCFKSA-N 1 0 375.250 2.822 20 0 GFADRO CC(C)[C@@H]([NH2+]C[C@H](O)COc1ccccc1Br)c1cnn(C)c1 ZINC000886551792 663113653 /nfs/dbraw/zinc/11/36/53/663113653.db2.gz OOOZBPNFMXTWEC-WMLDXEAASA-N 1 0 382.302 2.909 20 0 GFADRO O=S(=O)(/C=C\c1cccc(Br)c1)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000886896483 663123974 /nfs/dbraw/zinc/12/39/74/663123974.db2.gz LCMPKUFGIOOUIS-KMSCOEIWSA-N 1 0 395.269 2.584 20 0 GFADRO CCOC(=O)c1cc(CC)sc1NC(=O)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000886936923 663125308 /nfs/dbraw/zinc/12/53/08/663125308.db2.gz OUJRMWPSRJTYLP-JTQLQIEISA-N 1 0 375.441 2.854 20 0 GFADRO CCN(C(=O)C(=O)Nc1c(C)cc(Br)cc1Cl)[C@H]1CC[NH2+]C1 ZINC000886993349 663128081 /nfs/dbraw/zinc/12/80/81/663128081.db2.gz DJWKLHWPXKNULD-NSHDSACASA-N 1 0 388.693 2.560 20 0 GFADRO Cn1ncc(NC(=O)C[C@H](c2ccccc2)[NH+](C)C)c1I ZINC000887067389 663131326 /nfs/dbraw/zinc/13/13/26/663131326.db2.gz JVCHFRKASKNDLT-CYBMUJFWSA-N 1 0 398.248 2.656 20 0 GFADRO CNC(=O)C1([NH2+]Cc2ccc(OC)c(SC(F)(F)F)c2)CCOCC1 ZINC000887086550 663132773 /nfs/dbraw/zinc/13/27/73/663132773.db2.gz SCWULXBJLSCGKW-UHFFFAOYSA-N 1 0 378.416 2.692 20 0 GFADRO C[C@@H]1CCCN(Cc2csc(NC(=O)N[C@H](CCO)C(F)(F)F)n2)C1 ZINC000887202800 663138899 /nfs/dbraw/zinc/13/88/99/663138899.db2.gz XEAAVVHNUQHBMP-ZYHUDNBSSA-N 1 0 380.436 2.810 20 0 GFADRO [NH3+][C@H]1CCCN(Cc2cn(Cc3cccc(Br)c3Cl)nn2)C1 ZINC000887444263 663146675 /nfs/dbraw/zinc/14/66/75/663146675.db2.gz CAXBIPXMKMJNJS-LBPRGKRZSA-N 1 0 384.709 2.665 20 0 GFADRO Cc1sc(C[C@@H](C)n2cc(Cl)cn2)nc1-c1cn(CC2C[NH2+]C2)nn1 ZINC000887446744 663146811 /nfs/dbraw/zinc/14/68/11/663146811.db2.gz JHLNKMMNQNKBKM-SNVBAGLBSA-N 1 0 377.905 2.583 20 0 GFADRO [NH3+][C@H]1CCCN(Cc2cn(Cc3oc4ccccc4c3Br)nn2)C1 ZINC000887449554 663147139 /nfs/dbraw/zinc/14/71/39/663147139.db2.gz ZORNLTBUCNCEST-LBPRGKRZSA-N 1 0 390.285 2.758 20 0 GFADRO CC(C)S(=O)(=O)c1c(Cl)cccc1NC(=O)NC[C@H](C)C[NH+](C)C ZINC000888127747 663179369 /nfs/dbraw/zinc/17/93/69/663179369.db2.gz IOBUSCSYWCXVRK-LBPRGKRZSA-N 1 0 375.922 2.841 20 0 GFADRO CN1CCN(C(=O)c2ccc3scc(Br)c3c2)CC[N@H+](C)CC1 ZINC000888982422 663228298 /nfs/dbraw/zinc/22/82/98/663228298.db2.gz RCDRCBPMYJWGOO-UHFFFAOYSA-N 1 0 396.354 2.983 20 0 GFADRO CC(C)Oc1cc(Br)cc(C(=O)N2CCN(C)CC[N@H+](C)CC2)c1 ZINC000888989263 663228566 /nfs/dbraw/zinc/22/85/66/663228566.db2.gz CRWSCWBRIAJZOB-UHFFFAOYSA-N 1 0 398.345 2.556 20 0 GFADRO CCO[C@H](CC[NH+](C)C)CNC(=O)Nc1c(Cl)n(C)nc1C(F)(F)F ZINC000889198613 663235495 /nfs/dbraw/zinc/23/54/95/663235495.db2.gz VHJCDYRHDSQIGT-SECBINFHSA-N 1 0 385.818 2.571 20 0 GFADRO CCc1sc(C(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)cc1Br ZINC000889751034 663262953 /nfs/dbraw/zinc/26/29/53/663262953.db2.gz PGRLYGLARMLOHJ-OLZOCXBDSA-N 1 0 387.343 2.744 20 0 GFADRO O=C([C@@H]1C[C@H]1c1ccc(Br)cc1)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000889751443 663263222 /nfs/dbraw/zinc/26/32/22/663263222.db2.gz QQZXLZSFJMRNIR-BSDSXHPESA-N 1 0 393.325 2.610 20 0 GFADRO O=C(CSc1cccc(Br)c1)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000889760173 663264085 /nfs/dbraw/zinc/26/40/85/663264085.db2.gz CBHWLJQPGCSQTO-HZPDHXFCSA-N 1 0 399.354 2.599 20 0 GFADRO O=C(c1cc(Cl)cc(Br)c1)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000889762473 663264398 /nfs/dbraw/zinc/26/43/98/663264398.db2.gz JZOWKLQNFHWYFL-LSDHHAIUSA-N 1 0 387.705 2.774 20 0 GFADRO C[NH+]1CCC(N(CCO)Cc2cc3c(cc(F)cc3Br)[nH]2)CC1 ZINC000891402886 663338395 /nfs/dbraw/zinc/33/83/95/663338395.db2.gz YVCNBRAAFISCDR-UHFFFAOYSA-N 1 0 384.293 2.958 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)NCc2ccccc2Br)C[C@H]1C(F)(F)F ZINC000891456737 663340117 /nfs/dbraw/zinc/34/01/17/663340117.db2.gz SUVYITLVJRDKLB-WDEREUQCSA-N 1 0 380.208 2.728 20 0 GFADRO COc1cc(Br)c(CNC(=O)N[C@]23CCC[C@@H]2[NH2+]CC3)cc1OC ZINC000891494100 663341349 /nfs/dbraw/zinc/34/13/49/663341349.db2.gz GZESXBCQJARYDL-RDJZCZTQSA-N 1 0 398.301 2.550 20 0 GFADRO CO[C@H](c1ccccc1Cl)[C@H](C)NC(=O)NC[C@H]1C[NH2+]CCC1(F)F ZINC000891812905 663351635 /nfs/dbraw/zinc/35/16/35/663351635.db2.gz GQARCUBYHOFXHB-ZOWXZIJZSA-N 1 0 375.847 2.960 20 0 GFADRO [NH3+][C@H]1C[C@@H](CNC(=O)N[C@H]2CCCN(c3ccc(Cl)cc3Cl)C2=O)C1 ZINC000891848533 663352852 /nfs/dbraw/zinc/35/28/52/663352852.db2.gz NDOQUOHMDFYSFL-SUHUHFCYSA-N 1 0 385.295 2.525 20 0 GFADRO C[N@H+](CCCNC(=O)NCc1ncc(Br)cn1)C1CCCCC1 ZINC000891893570 663354687 /nfs/dbraw/zinc/35/46/87/663354687.db2.gz RDOUKIOGWLVFGG-UHFFFAOYSA-N 1 0 384.322 2.693 20 0 GFADRO C[C@H]1CCC[N@H+](CCCCNC(=O)NCc2ncc(Br)cn2)C1 ZINC000891903001 663354885 /nfs/dbraw/zinc/35/48/85/663354885.db2.gz CJLGOCJPUKDBBQ-ZDUSSCGKSA-N 1 0 384.322 2.550 20 0 GFADRO O=C(NC1CC[NH2+]CC1)N1CC2(CCOCC2)c2ccc(Br)cc21 ZINC000891958427 663356467 /nfs/dbraw/zinc/35/64/67/663356467.db2.gz IMHHAEGYBHSEMU-UHFFFAOYSA-N 1 0 394.313 2.779 20 0 GFADRO C[C@@H](CCC[NH3+])NC(=O)N(C)C[C@H](O)COc1cc(Cl)cc(Cl)c1 ZINC000892138844 663363145 /nfs/dbraw/zinc/36/31/45/663363145.db2.gz GMWJHJUGYWMTBC-FZMZJTMJSA-N 1 0 378.300 2.502 20 0 GFADRO COc1ccc(Br)c(CNC(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3C)c1 ZINC000892138140 663363155 /nfs/dbraw/zinc/36/31/55/663363155.db2.gz BOSFMTMFQCCNLP-HOTGVXAUSA-N 1 0 382.302 2.836 20 0 GFADRO C[C@@H]([NH3+])[C@@H](C)NC(=O)N1CC2(CCOCC2)c2ccc(Br)cc21 ZINC000892141238 663363385 /nfs/dbraw/zinc/36/33/85/663363385.db2.gz HQPGAQBWMCGUCI-VXGBXAGGSA-N 1 0 382.302 2.763 20 0 GFADRO CN(C[C@H](O)COc1cc(Cl)cc(Cl)c1)C(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000892170964 663364368 /nfs/dbraw/zinc/36/43/68/663364368.db2.gz UUMDDNJAXYRZGU-UGFHNGPFSA-N 1 0 390.311 2.502 20 0 GFADRO O=C(N[C@H]1[C@@H]2Cc3cc(Br)ccc3[C@@H]21)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000892191721 663365484 /nfs/dbraw/zinc/36/54/84/663365484.db2.gz QIWQNAOMNIKWPD-JBRKIOIPSA-N 1 0 390.325 2.775 20 0 GFADRO CN(C[C@H](O)COc1cc(Cl)cc(Cl)c1)C(=O)NCCC1(C[NH3+])CC1 ZINC000892221465 663366321 /nfs/dbraw/zinc/36/63/21/663366321.db2.gz XNYHUWODNDFYDG-AWEZNQCLSA-N 1 0 390.311 2.504 20 0 GFADRO O=C(NCc1ccc(Br)c(F)c1F)NC[C@H]1C[NH2+]CCC1(F)F ZINC000892284981 663368434 /nfs/dbraw/zinc/36/84/34/663368434.db2.gz QFBSEZPHIVFBAE-SECBINFHSA-N 1 0 398.198 2.771 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)N[C@@H]2[C@H]3Cc4c(cccc4Br)[C@@H]23)C1 ZINC000892321981 663369166 /nfs/dbraw/zinc/36/91/66/663369166.db2.gz GPSSJWCUDNUYMK-WSBUHRGFSA-N 1 0 378.314 2.856 20 0 GFADRO C[C@@H]([NH2+]C1CCN(c2nc3ccccc3s2)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000892682669 663381296 /nfs/dbraw/zinc/38/12/96/663381296.db2.gz BJZRMXSKJIPRDG-ZIAGYGMSSA-N 1 0 379.551 2.678 20 0 GFADRO Cc1ccc(CNC(=O)NC[C@@H]2C[NH2+]CCC2(F)F)cc1Br ZINC000892695750 663381965 /nfs/dbraw/zinc/38/19/65/663381965.db2.gz UGIBIAJOHCBUJK-LBPRGKRZSA-N 1 0 376.245 2.802 20 0 GFADRO COc1cc(C(=O)N[C@@]2(C)C[NH+]3CCC2CC3)cc(Br)c1OC ZINC000892771845 663384310 /nfs/dbraw/zinc/38/43/10/663384310.db2.gz VWBNLIBPYMLABR-KRWDZBQOSA-N 1 0 383.286 2.680 20 0 GFADRO C[C@H]([NH2+]CC1CCN(Cc2ccccc2Cl)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000892907026 663389165 /nfs/dbraw/zinc/38/91/65/663389165.db2.gz WGDJSBXQMCHQNW-YJBOKZPZSA-N 1 0 384.973 2.965 20 0 GFADRO CS(=O)(=O)CCC[NH2+]Cc1cc(Br)ccc1Br ZINC000892930726 663390085 /nfs/dbraw/zinc/39/00/85/663390085.db2.gz UVVKBBIVGCJTTC-UHFFFAOYSA-N 1 0 385.121 2.736 20 0 GFADRO CCc1nnc(C[NH2+]C[C@@H](CO)Cc2ccc(OC(F)(F)F)cc2)s1 ZINC000893122769 663397609 /nfs/dbraw/zinc/39/76/09/663397609.db2.gz AQGULGIFHIRLCD-LBPRGKRZSA-N 1 0 375.416 2.940 20 0 GFADRO Cc1ccc(C[NH2+]Cc2ncc(Br)cc2O)c(N2CCOCC2)c1 ZINC000893131969 663397768 /nfs/dbraw/zinc/39/77/68/663397768.db2.gz JLWKGBGUITXRGF-UHFFFAOYSA-N 1 0 392.297 2.985 20 0 GFADRO O=S1(=O)CC[C@@]2(C1)C[C@H]([NH2+]CCc1cc(Cl)cc(Cl)c1)CCO2 ZINC000893301977 663406155 /nfs/dbraw/zinc/40/61/55/663406155.db2.gz BTPJJRPELNTQSV-CVEARBPZSA-N 1 0 378.321 2.862 20 0 GFADRO C[C@H]([NH2+]C[C@H](c1cccc(C(F)(F)F)c1)N(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000893646368 663418719 /nfs/dbraw/zinc/41/87/19/663418719.db2.gz JFRGKECBABHXNX-DUVNUKRYSA-N 1 0 378.460 2.721 20 0 GFADRO Cc1[nH+]ccc(N2CC[C@H]3CN(C(=O)C(F)(F)F)C[C@H]3C2)c1Br ZINC000894067313 663440340 /nfs/dbraw/zinc/44/03/40/663440340.db2.gz PUAUAGFJIZMWBF-WDEREUQCSA-N 1 0 392.219 3.000 20 0 GFADRO C[C@H]([NH2+]Cc1cnn(-c2ccc(Br)cc2)c1)[C@H]1CCS(=O)(=O)C1 ZINC000894070179 663440736 /nfs/dbraw/zinc/44/07/36/663440736.db2.gz JBAGZNXADSOZNR-JSGCOSHPSA-N 1 0 398.326 2.548 20 0 GFADRO Cn1cc(C[NH2+]CCCOc2ccccc2F)c(I)n1 ZINC000894155698 663445841 /nfs/dbraw/zinc/44/58/41/663445841.db2.gz HLMQRGAYGSCSNI-UHFFFAOYSA-N 1 0 389.212 2.723 20 0 GFADRO O=S(=O)(NCCC[NH2+]Cc1cn2ccnc2s1)c1ccccc1Cl ZINC000894230233 663449850 /nfs/dbraw/zinc/44/98/50/663449850.db2.gz BWMGHILNZFXKKY-UHFFFAOYSA-N 1 0 384.914 2.507 20 0 GFADRO CC(C)N(CCC[NH2+]Cc1nc(Br)nn1C)C(=O)OC(C)(C)C ZINC000894249306 663450797 /nfs/dbraw/zinc/45/07/97/663450797.db2.gz PXBNDMXKDJIJEW-UHFFFAOYSA-N 1 0 390.326 2.703 20 0 GFADRO Cn1ncc(I)c1C[NH2+]CCc1c[nH]c2ccc(F)cc12 ZINC000894257855 663451281 /nfs/dbraw/zinc/45/12/81/663451281.db2.gz ZFBBGRZXNSEPKA-UHFFFAOYSA-N 1 0 398.223 2.977 20 0 GFADRO COc1cc(Br)ccc1CNC(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2C ZINC000894306045 663453332 /nfs/dbraw/zinc/45/33/32/663453332.db2.gz JECBOGPYGAVNSX-CABCVRRESA-N 1 0 382.302 2.836 20 0 GFADRO CC(C)[C@@H]1OCCC[C@@H]1C[NH2+]Cc1cn(C)nc1I ZINC000894317841 663454420 /nfs/dbraw/zinc/45/44/20/663454420.db2.gz WFVBWDIJVBTLSI-YPMHNXCESA-N 1 0 377.270 2.566 20 0 GFADRO Cn1ncc(I)c1C[NH2+]C[C@@H]1[C@@H]2Cc3ccccc3[C@H]12 ZINC000894336629 663455207 /nfs/dbraw/zinc/45/52/07/663455207.db2.gz KLZDJEDRTSGGRC-ZENOOKHLSA-N 1 0 379.245 2.700 20 0 GFADRO Clc1nc(N2CCOCC2)sc1C[NH2+][C@@H]1CCO[C@@]2(CCSC2)C1 ZINC000894344449 663455941 /nfs/dbraw/zinc/45/59/41/663455941.db2.gz RMOJBHYOGWSGEU-WBMJQRKESA-N 1 0 389.974 2.777 20 0 GFADRO C[C@@H](C[C@@H](O)c1cccs1)[NH2+]Cc1cn(C)nc1I ZINC000894369522 663458477 /nfs/dbraw/zinc/45/84/77/663458477.db2.gz AAYBACJBOCYZPZ-GXSJLCMTSA-N 1 0 391.278 2.688 20 0 GFADRO CC(C)C[C@H]1C[C@H]([NH2+]Cc2c(I)cnn2C)CCO1 ZINC000894376416 663459048 /nfs/dbraw/zinc/45/90/48/663459048.db2.gz QXXXIXCIAUEDHD-NEPJUHHUSA-N 1 0 377.270 2.708 20 0 GFADRO COC(=O)C1(C[NH2+]Cc2sc(N3CCOCC3)nc2Cl)CCCCC1 ZINC000894443355 663461711 /nfs/dbraw/zinc/46/17/11/663461711.db2.gz AFABSNZAHOMISB-UHFFFAOYSA-N 1 0 387.933 2.846 20 0 GFADRO Cn1nc(Br)nc1C[NH2+]C[C@]1(Cc2ccc(F)cc2)CCC[C@H]1O ZINC000894565684 663469014 /nfs/dbraw/zinc/46/90/14/663469014.db2.gz GLFIIUFSUUOPAC-RHSMWYFYSA-N 1 0 397.292 2.580 20 0 GFADRO CCc1[nH]c(C[NH2+]Cc2ccc(S(C)(=O)=O)c(Cl)c2)cc1C(=O)OC ZINC000894562651 663469020 /nfs/dbraw/zinc/46/90/20/663469020.db2.gz VHFJADOMYJFAPN-UHFFFAOYSA-N 1 0 384.885 2.710 20 0 GFADRO Cn1ccnc1[C@@H]1CCC[N@H+](Cc2sc(N3CCOCC3)nc2Cl)C1 ZINC000894571961 663469587 /nfs/dbraw/zinc/46/95/87/663469587.db2.gz BGQNNXGJHPQHBD-CYBMUJFWSA-N 1 0 381.933 2.746 20 0 GFADRO CC[N@@H+]1CC[C@H]2OCCN(Cc3ccc(Br)cc3NC(C)=O)[C@H]2C1 ZINC000894615278 663472200 /nfs/dbraw/zinc/47/22/00/663472200.db2.gz HZJBLKLBSHOISW-ZWKOTPCHSA-N 1 0 396.329 2.703 20 0 GFADRO C[NH+](C)CCC[C@@H]1CN(c2ncc(Br)c3cccnc32)CCO1 ZINC000894646612 663474326 /nfs/dbraw/zinc/47/43/26/663474326.db2.gz YVIPBDYGXOOYCL-CYBMUJFWSA-N 1 0 379.302 2.939 20 0 GFADRO O=S(=O)(CCC[NH2+][C@@H]1CCC2(C[C@H]1F)OCCO2)c1ccc(Cl)cc1 ZINC000894651221 663474572 /nfs/dbraw/zinc/47/45/72/663474572.db2.gz PGDWZNSNANVIIC-HZPDHXFCSA-N 1 0 391.892 2.727 20 0 GFADRO COC(=O)[C@@H]1[C@@H](C[NH2+][C@H](c2cncc(Br)c2)C2CC2)C1(F)F ZINC000894690713 663476454 /nfs/dbraw/zinc/47/64/54/663476454.db2.gz UMBZRZIBMKHGQR-AGIUHOORSA-N 1 0 375.213 2.939 20 0 GFADRO C[C@H]([NH2+][C@H]1CCc2c1ccc(F)c2Br)[C@H]1CCS(=O)(=O)C1 ZINC000894738780 663478201 /nfs/dbraw/zinc/47/82/01/663478201.db2.gz UTVNHIQYUPFSOS-BHDSKKPTSA-N 1 0 376.291 2.988 20 0 GFADRO CC[C@@H](C)[NH2+][C@@H](CNC(=O)NCc1ncc(Br)cn1)c1ccco1 ZINC000894763748 663480298 /nfs/dbraw/zinc/48/02/98/663480298.db2.gz BCIGSOFVVIHJLF-YPMHNXCESA-N 1 0 396.289 2.761 20 0 GFADRO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+][C@@H]2CCC3(C[C@@H]2F)OCCO3)c1 ZINC000894894421 663487379 /nfs/dbraw/zinc/48/73/79/663487379.db2.gz NQGHBOWBLXFNQT-JKSUJKDBSA-N 1 0 391.892 2.857 20 0 GFADRO Cc1[nH+]c2cc(NCc3cccnc3Br)ccc2n1C(CO)CO ZINC000894919632 663488419 /nfs/dbraw/zinc/48/84/19/663488419.db2.gz SHPOPMYSUNEMMR-UHFFFAOYSA-N 1 0 391.269 2.640 20 0 GFADRO NC(=O)[C@@H]1C[N@H+](Cc2cccc(O)c2Br)C[C@H]1c1ccccc1 ZINC000895004940 663494472 /nfs/dbraw/zinc/49/44/72/663494472.db2.gz ICYBDMOZECYYKS-LSDHHAIUSA-N 1 0 375.266 2.856 20 0 GFADRO C[C@@H](Nc1ccc(Br)c(C(F)(F)F)n1)[C@@H]1C[N@H+](C)CCN1C ZINC000895247530 663504942 /nfs/dbraw/zinc/50/49/42/663504942.db2.gz VMFHVNIQBLVRNV-KOLCDFICSA-N 1 0 381.240 2.909 20 0 GFADRO CC(C)(C)[NH2+]CCNC(=O)c1cc(Br)cnc1Br ZINC000895270531 663506240 /nfs/dbraw/zinc/50/62/40/663506240.db2.gz HQWVBAOHRXMMJH-UHFFFAOYSA-N 1 0 379.096 2.725 20 0 GFADRO COc1cc(C[NH2+][C@@H]2C(=O)NCC2(C)C)cc(Br)c1OC(F)F ZINC000895316439 663507937 /nfs/dbraw/zinc/50/79/37/663507937.db2.gz JIRNFSVHNYXACI-GFCCVEGCSA-N 1 0 393.228 2.673 20 0 GFADRO Cn1nc(Br)nc1CN[C@@H]1CCN(c2ccc(Cl)cc2F)C1 ZINC000895405065 663512043 /nfs/dbraw/zinc/51/20/43/663512043.db2.gz JBRKQMDNYVVMNP-SNVBAGLBSA-N 1 0 388.672 2.739 20 0 GFADRO CC(=O)Nc1cc(Br)ccc1C[NH2+]C1CCN([C@H]2CCOC2)CC1 ZINC000895435552 663513738 /nfs/dbraw/zinc/51/37/38/663513738.db2.gz IKZDYXFKQVTRCP-KRWDZBQOSA-N 1 0 396.329 2.750 20 0 GFADRO C[C@@H]([NH2+][C@@H](CO)c1cccc(Cl)c1Cl)C1CCN(S(C)(=O)=O)CC1 ZINC000895448922 663514832 /nfs/dbraw/zinc/51/48/32/663514832.db2.gz MHBFBIIORFEEBF-ABAIWWIYSA-N 1 0 395.352 2.677 20 0 GFADRO Cn1ncc(I)c1C[NH2+]C1([C@@H]2CCCCO2)CCC1 ZINC000895467438 663516019 /nfs/dbraw/zinc/51/60/19/663516019.db2.gz NCOWJZNRLGCSFX-ZDUSSCGKSA-N 1 0 375.254 2.606 20 0 GFADRO OC[C@]1([NH2+]Cc2nccn2C2CC2)CCc2cc(Br)ccc2C1 ZINC000895581413 663519703 /nfs/dbraw/zinc/51/97/03/663519703.db2.gz NUZDHVNBMMMEAV-SFHVURJKSA-N 1 0 376.298 2.990 20 0 GFADRO Nc1nc(-n2cccn2)cc(N2CCC[C@H]2c2cncc(Br)c2)[nH+]1 ZINC000895707628 663523900 /nfs/dbraw/zinc/52/39/00/663523900.db2.gz FBAKTQRLJRFTIK-ZDUSSCGKSA-N 1 0 386.257 2.744 20 0 GFADRO COc1ccc(CN[C@@H]2CCc3cc(Br)ccc3NC2=O)nc1 ZINC000896029154 663537942 /nfs/dbraw/zinc/53/79/42/663537942.db2.gz AKOVMFSTBYBTBR-MRXNPFEDSA-N 1 0 376.254 2.896 20 0 GFADRO O=C(Nc1ccc(N2CCSCC2)c(Cl)c1)C1C[NH+]([C@H]2CCOC2)C1 ZINC000896021457 663537963 /nfs/dbraw/zinc/53/79/63/663537963.db2.gz ALJHFGSHEVGXJH-HNNXBMFYSA-N 1 0 381.929 2.552 20 0 GFADRO Cc1cc(C)c(CC(=O)NC[C@H](C)N2CC[NH+](C)CC2)c(C)c1Br ZINC000896427560 663556887 /nfs/dbraw/zinc/55/68/87/663556887.db2.gz BOLJVDKZYYUKQK-HNNXBMFYSA-N 1 0 396.373 2.669 20 0 GFADRO CSc1cc(C(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCN2C)ccc1Br ZINC000896526665 663560793 /nfs/dbraw/zinc/56/07/93/663560793.db2.gz JNNVPLHVEBMWTJ-SMDDNHRTSA-N 1 0 386.359 2.535 20 0 GFADRO C[C@H](NC(=O)c1cnc(-c2cccc(Cl)c2)s1)[C@@H]1C[N@H+](C)CCN1C ZINC000896534935 663562032 /nfs/dbraw/zinc/56/20/32/663562032.db2.gz XDFHNZPUESAWTL-WFASDCNBSA-N 1 0 378.929 2.828 20 0 GFADRO Cc1cc(Br)c(C(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCN2C)cc1Cl ZINC000896540608 663562592 /nfs/dbraw/zinc/56/25/92/663562592.db2.gz GBXGHFJNUUDSEJ-XHDPSFHLSA-N 1 0 388.737 2.775 20 0 GFADRO CC(C)Oc1cc(Br)ccc1C(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCN1C ZINC000896567893 663565054 /nfs/dbraw/zinc/56/50/54/663565054.db2.gz JIDBTPUERUIGLK-XJKSGUPXSA-N 1 0 398.345 2.600 20 0 GFADRO Cc1[nH+]cc2n1C[C@H](c1nc([C@H](C)n3cc(Br)cn3)no1)CC2 ZINC000896700291 663572440 /nfs/dbraw/zinc/57/24/40/663572440.db2.gz FAILZSWITYNSFL-GXSJLCMTSA-N 1 0 377.246 2.873 20 0 GFADRO CCc1noc([C@@H]2CC[C@H]([NH2+]Cc3cnn4cc(Br)cnc34)C2)n1 ZINC000897046459 663588262 /nfs/dbraw/zinc/58/82/62/663588262.db2.gz ZLPXENWZYWNTKU-MFKMUULPSA-N 1 0 391.273 2.863 20 0 GFADRO C[C@H]1CC[N@H+](CCNC(=O)N2CCCC[C@H]2c2ncc(Br)cn2)C1 ZINC000897473455 663606885 /nfs/dbraw/zinc/60/68/85/663606885.db2.gz ZEUOCMWNGDBBTI-ZFWWWQNUSA-N 1 0 396.333 2.818 20 0 GFADRO C[C@H](C[NH2+]Cc1cn(C[C@@H]2CCOC2)nn1)c1ccc(Br)cc1 ZINC000897470047 663606965 /nfs/dbraw/zinc/60/69/65/663606965.db2.gz XABGCAVQFSJALZ-KGLIPLIRSA-N 1 0 379.302 2.970 20 0 GFADRO C[C@H]1CCC[N@@H+]1CCNC(=O)N(C)C[C@@H](O)c1ccccc1Br ZINC000897509199 663607772 /nfs/dbraw/zinc/60/77/72/663607772.db2.gz VOBVIYAYBFXKPZ-XJKSGUPXSA-N 1 0 384.318 2.608 20 0 GFADRO C[C@@H]1CCC[N@@H+]1CCNC(=O)N1CCC[C@@H]1c1ncc(Br)cn1 ZINC000897518819 663608284 /nfs/dbraw/zinc/60/82/84/663608284.db2.gz LAFXYCPHWMFSSC-TZMCWYRMSA-N 1 0 382.306 2.570 20 0 GFADRO C[N@@H+]1CCCC[C@H](CNC(=O)N[C@@](C)(CO)c2cccc(Br)c2)C1 ZINC000897567196 663611605 /nfs/dbraw/zinc/61/16/05/663611605.db2.gz GTMIJMRBUIFDPP-KDOFPFPSSA-N 1 0 398.345 2.688 20 0 GFADRO C[C@]1(Br)C[C@@H]1C[NH+]1CCC(c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000897572156 663612020 /nfs/dbraw/zinc/61/20/20/663612020.db2.gz LUVPFALZQSXDSR-ZBFHGGJFSA-N 1 0 387.343 2.687 20 0 GFADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+][C@@H]1CCSC(C)(C)C1 ZINC000897799420 663620869 /nfs/dbraw/zinc/62/08/69/663620869.db2.gz HLVVZGKNGQVFIT-CHWSQXEVSA-N 1 0 391.990 2.968 20 0 GFADRO Cn1c2cc(Cl)c(Cl)cc2nc1NC(=O)C1C[NH+](C2CCOCC2)C1 ZINC000897973384 663627446 /nfs/dbraw/zinc/62/74/46/663627446.db2.gz ZVOPPVOCNQXVMQ-UHFFFAOYSA-N 1 0 383.279 2.929 20 0 GFADRO O=C1Nc2ncc(Br)cc2C[C@@H]1[NH2+]C[C@@H]1CCOc2ccccc21 ZINC000897978059 663628414 /nfs/dbraw/zinc/62/84/14/663628414.db2.gz LGOFYZUCHATFKF-NHYWBVRUSA-N 1 0 388.265 2.863 20 0 GFADRO Cn1cc(C[NH2+][C@@H]2C[C@H]3CC[C@@H]2N3C(=O)OC(C)(C)C)c(Br)n1 ZINC000898074169 663632374 /nfs/dbraw/zinc/63/23/74/663632374.db2.gz ONPMVORWKPDNIF-UPJWGTAASA-N 1 0 385.306 2.813 20 0 GFADRO O=c1cc(N2CC[C@@H]([NH2+][C@H]3CCc4c3cccc4Br)C2)nc[nH]1 ZINC000898152346 663636056 /nfs/dbraw/zinc/63/60/56/663636056.db2.gz GLVFPSJYORYSHJ-ABAIWWIYSA-N 1 0 375.270 2.801 20 0 GFADRO C[C@@H](Cc1ccc(Br)c(F)c1)[NH2+][C@@H]1CCN(c2cc(=O)[nH]cn2)C1 ZINC000898156299 663636415 /nfs/dbraw/zinc/63/64/15/663636415.db2.gz CVYWGBVKQCVURY-WCQYABFASA-N 1 0 395.276 2.883 20 0 GFADRO Ic1ccc2c(c1)[C@H]([NH2+]Cc1cnc3n1CCOC3)CC2 ZINC000898266419 663641564 /nfs/dbraw/zinc/64/15/64/663641564.db2.gz NVQCSFNRMWKZQG-OAHLLOKOSA-N 1 0 395.244 2.795 20 0 GFADRO O=c1ccn(CCC[NH2+]Cc2nc3ccc(Br)cc3s2)c(=O)[nH]1 ZINC000898329330 663643710 /nfs/dbraw/zinc/64/37/10/663643710.db2.gz RTJSAJFNNHCUBB-UHFFFAOYSA-N 1 0 395.282 2.501 20 0 GFADRO COC(=O)C1CC2(C1)C[C@@H]([NH2+]Cc1cc(C)cc(Cl)c1)CCS2(=O)=O ZINC000898489192 663652261 /nfs/dbraw/zinc/65/22/61/663652261.db2.gz XCLGHCKCBRMWLA-HQVVEAJESA-N 1 0 385.913 2.637 20 0 GFADRO OC[C@H](N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1I ZINC000898513055 663654273 /nfs/dbraw/zinc/65/42/73/663654273.db2.gz PKUZIONQSQKZRN-IOASZLSFSA-N 1 0 386.277 2.541 20 0 GFADRO CC(C)(C)OC(=O)NCC1CC([NH2+][C@H]2CCc3ncc(Br)n3C2)C1 ZINC000898720922 663660528 /nfs/dbraw/zinc/66/05/28/663660528.db2.gz OJPLAESZACPEOG-CPCZMJQVSA-N 1 0 399.333 2.853 20 0 GFADRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+][C@H]2CCc3ncc(Br)n3C2)C1 ZINC000898723317 663660862 /nfs/dbraw/zinc/66/08/62/663660862.db2.gz DRZIWLYRFMAAHL-NWDGAFQWSA-N 1 0 385.306 2.559 20 0 GFADRO C[C@H](CC(=O)N(C)c1ccccc1)[NH2+][C@@H]1CCc2ncc(Br)n2C1 ZINC000898724217 663661348 /nfs/dbraw/zinc/66/13/48/663661348.db2.gz MBDIDOHBXOLNPA-ZIAGYGMSSA-N 1 0 391.313 2.992 20 0 GFADRO Cc1nc(-c2ccc(CCNC(=O)C[C@]3(O)CCC[N@@H+](C)C3)s2)cs1 ZINC000900039388 663706811 /nfs/dbraw/zinc/70/68/11/663706811.db2.gz RTXYVRBOVOXEID-GOSISDBHSA-N 1 0 379.551 2.686 20 0 GFADRO CC(C)[NH+]1CCN(CCC(=O)NCc2cc(Br)ccc2F)CC1 ZINC000900130909 663708756 /nfs/dbraw/zinc/70/87/56/663708756.db2.gz UWOHNBNSOWUJTN-UHFFFAOYSA-N 1 0 386.309 2.621 20 0 GFADRO C[N@@H+]1CCC[C@](O)(CC(=O)Nc2nnc(SCc3ccccc3)s2)C1 ZINC000900266608 663711201 /nfs/dbraw/zinc/71/12/01/663711201.db2.gz XAVRPBMGYWHSGY-KRWDZBQOSA-N 1 0 378.523 2.616 20 0 GFADRO CC(C)[N@H+](C)CC1CCN(C(=O)c2cc3ncc(Br)cn3n2)CC1 ZINC000900379797 663713497 /nfs/dbraw/zinc/71/34/97/663713497.db2.gz XCVDKKQMQMSTFM-UHFFFAOYSA-N 1 0 394.317 2.684 20 0 GFADRO O=C(Nc1cc(Cl)ccc1N1CCSCC1)C1C[NH+]([C@H]2CCOC2)C1 ZINC000900466705 663715130 /nfs/dbraw/zinc/71/51/30/663715130.db2.gz IYUFUSGZSSPGHD-HNNXBMFYSA-N 1 0 381.929 2.552 20 0 GFADRO Cc1ccc(Br)cc1Cn1cc(CNC2CC[NH+](C)CC2)nn1 ZINC000900570320 663717297 /nfs/dbraw/zinc/71/72/97/663717297.db2.gz SISPNZYMHABQBY-UHFFFAOYSA-N 1 0 378.318 2.581 20 0 GFADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)C(C)(C)Cc1ccc(Br)cc1 ZINC000900613447 663718212 /nfs/dbraw/zinc/71/82/12/663718212.db2.gz KHWAJTVCPSIEGI-HNNXBMFYSA-N 1 0 396.373 2.770 20 0 GFADRO CCn1c(Br)ncc1C(=O)N(C)c1ccc(OCC[NH+](C)C)cc1 ZINC000900656986 663718820 /nfs/dbraw/zinc/71/88/20/663718820.db2.gz QOCQPGYCHFQICL-UHFFFAOYSA-N 1 0 395.301 2.883 20 0 GFADRO O=C(Nc1ccc(Cl)cc1OCC(F)(F)F)C1C[NH+]([C@H]2CCOC2)C1 ZINC000900709660 663720138 /nfs/dbraw/zinc/72/01/38/663720138.db2.gz CNENGQLLKLIXQP-LBPRGKRZSA-N 1 0 378.778 2.940 20 0 GFADRO CC(C)[NH+]1CCN(CCCC(=O)NCCc2ccc(Br)cc2)CC1 ZINC000900741775 663720725 /nfs/dbraw/zinc/72/07/25/663720725.db2.gz ASLOVXXFGDDBAH-UHFFFAOYSA-N 1 0 396.373 2.914 20 0 GFADRO Cc1cc(Br)cc(Cl)c1C(=O)N[C@H](C)[C@H]1C[N@H+](C)CCN1C ZINC000900801422 663721864 /nfs/dbraw/zinc/72/18/64/663721864.db2.gz DDGMDYPBPZSFNW-BXUZGUMPSA-N 1 0 388.737 2.775 20 0 GFADRO CN(Cc1cc(Br)cn1C)C(=O)C1CCC([NH+]2CCOCC2)CC1 ZINC000901040239 663729182 /nfs/dbraw/zinc/72/91/82/663729182.db2.gz LBMTUAOWHNHMIJ-UHFFFAOYSA-N 1 0 398.345 2.637 20 0 GFADRO C[NH+](C)CCn1nccc1C(=O)Nc1nnc(-c2ccc(Cl)cc2)s1 ZINC000901108501 663730604 /nfs/dbraw/zinc/73/06/04/663730604.db2.gz JIGRCIVUYNPJIJ-UHFFFAOYSA-N 1 0 376.873 2.869 20 0 GFADRO C[C@@H]([NH2+][C@H]1CCc2ncc(Br)n2C1)C(=O)Nc1ccc(F)c(F)c1 ZINC000901727689 663743756 /nfs/dbraw/zinc/74/37/56/663743756.db2.gz HZFROBIZEJXDNV-KOLCDFICSA-N 1 0 399.239 2.855 20 0 GFADRO C[C@@H]([NH2+][C@@H]1CCc2ncc(Br)n2C1)C(=O)N(C)Cc1ccccc1 ZINC000901729718 663744005 /nfs/dbraw/zinc/74/40/05/663744005.db2.gz SMRIXWRWJVPBCB-UKRRQHHQSA-N 1 0 391.313 2.597 20 0 GFADRO Cn1c2ccc(Cl)cc2n(CN2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)c1=S ZINC000902644427 663765042 /nfs/dbraw/zinc/76/50/42/663765042.db2.gz OSJKUPFMCZQZBI-CVEARBPZSA-N 1 0 380.945 2.851 20 0 GFADRO COc1ccc(Br)c(C(=O)NCCC[NH2+][C@@H]2CCC[C@H]2OC)c1 ZINC000903091982 663773009 /nfs/dbraw/zinc/77/30/09/663773009.db2.gz FAPMYMCLFLMSIA-HZPDHXFCSA-N 1 0 385.302 2.735 20 0 GFADRO C[C@H]([NH2+]CCCO[C@@H]1CCOC1)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000903109390 663773944 /nfs/dbraw/zinc/77/39/44/663773944.db2.gz FKMVGCUUSRPPEW-GXTWGEPZSA-N 1 0 381.416 2.826 20 0 GFADRO COC(=O)[C@@H]1CC[C@H]([NH2+][C@@H](C)c2cc(S(N)(=O)=O)c(Cl)cc2Cl)C1 ZINC000903128666 663775124 /nfs/dbraw/zinc/77/51/24/663775124.db2.gz GONWJSWLEUIXSN-AEJSXWLSSA-N 1 0 395.308 2.633 20 0 GFADRO C[C@H]([NH2+]C[C@H]1CCCCS1(=O)=O)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000903147466 663776064 /nfs/dbraw/zinc/77/60/64/663776064.db2.gz ILEUNHZYDUDEJH-SMDDNHRTSA-N 1 0 399.456 2.598 20 0 GFADRO C[C@@H]([NH2+]CC1(S(=O)(=O)NC(C)(C)C)CCC1)c1ccc([S@](C)=O)cc1 ZINC000903189396 663777603 /nfs/dbraw/zinc/77/76/03/663777603.db2.gz VRKLXOMXEJZHOI-SHACYNPGSA-N 1 0 386.583 2.715 20 0 GFADRO C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+]Cc1cn(C)nc1Br ZINC000903189444 663777642 /nfs/dbraw/zinc/77/76/42/663777642.db2.gz WSUKLZQPDBROAA-SECBINFHSA-N 1 0 386.681 2.738 20 0 GFADRO Brc1cccc(CN2CCC([NH2+][C@@H]3CCO[C@@]34CCOC4)CC2)c1 ZINC000903189984 663777760 /nfs/dbraw/zinc/77/77/60/663777760.db2.gz MHEDGOIDZMDBPK-RTBURBONSA-N 1 0 395.341 2.951 20 0 GFADRO C[C@@H]([NH2+]CC[C@H]1CCCS1(=O)=O)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000903222085 663778948 /nfs/dbraw/zinc/77/89/48/663778948.db2.gz XXZWBXOPKNOHMM-DGCLKSJQSA-N 1 0 399.456 2.598 20 0 GFADRO C[C@H]([NH2+]C[C@@H]1CCCC[C@@H]1NS(C)(=O)=O)c1cncc(Br)c1 ZINC000903233598 663779994 /nfs/dbraw/zinc/77/99/94/663779994.db2.gz JCFYQHHJZREXKU-HUBLWGQQSA-N 1 0 390.347 2.603 20 0 GFADRO C[C@H]([NH2+]CC1(C2(O)CCC2)CC1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000903258251 663780598 /nfs/dbraw/zinc/78/05/98/663780598.db2.gz UANJAHHVWYYTCJ-JTQLQIEISA-N 1 0 393.336 2.987 20 0 GFADRO CO[C@]1(C[NH2+][C@@H](C)c2cc(S(N)(=O)=O)c(Cl)cc2Cl)CCSC1 ZINC000903314400 663781328 /nfs/dbraw/zinc/78/13/28/663781328.db2.gz NBXPORQPTCSVOJ-XPTSAGLGSA-N 1 0 399.365 2.814 20 0 GFADRO C[C@@H]([NH2+]C1CN(c2ccc(C(F)(F)F)cc2)C1)C1CCS(=O)(=O)CC1 ZINC000903345173 663782424 /nfs/dbraw/zinc/78/24/24/663782424.db2.gz DMSPPROXXRSMIC-GFCCVEGCSA-N 1 0 376.444 2.697 20 0 GFADRO CO[C@]1(C[NH2+][C@@H](C)c2cc(C)c(Br)s2)CCS(=O)(=O)C1 ZINC000903361656 663782556 /nfs/dbraw/zinc/78/25/56/663782556.db2.gz AHBQHWPKLHKDNE-GWCFXTLKSA-N 1 0 382.345 2.673 20 0 GFADRO COc1ncc([C@H](C)[NH2+][C@H]2CCN(c3cn[nH]c(=O)c3Cl)C2)cc1Cl ZINC000903434238 663784691 /nfs/dbraw/zinc/78/46/91/663784691.db2.gz KTRDEPCUXMGWEA-ONGXEEELSA-N 1 0 384.267 2.822 20 0 GFADRO COc1ncc([C@@H](C)[NH2+][C@@H]2CCN(c3cn[nH]c(=O)c3Cl)C2)cc1Cl ZINC000903434237 663784724 /nfs/dbraw/zinc/78/47/24/663784724.db2.gz KTRDEPCUXMGWEA-MWLCHTKSSA-N 1 0 384.267 2.822 20 0 GFADRO C[C@@H]([NH2+][C@@H]1CCc2ncc(Br)n2C1)c1ccc(-n2cncn2)cc1 ZINC000903477744 663785312 /nfs/dbraw/zinc/78/53/12/663785312.db2.gz GYJSHTGWYCBCKP-TZMCWYRMSA-N 1 0 387.285 2.892 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCc2ncc(Br)n2C1)c1cnnn1-c1ccccc1 ZINC000903480256 663785509 /nfs/dbraw/zinc/78/55/09/663785509.db2.gz OJKVSGNMWOQAHZ-QWHCGFSZSA-N 1 0 387.285 2.892 20 0 GFADRO [NH3+]C[C@@H]1CCCN(S(=O)(=O)Cc2cccc(Cl)c2Br)C1 ZINC000903511374 663786128 /nfs/dbraw/zinc/78/61/28/663786128.db2.gz RCBQLILQQKHHLE-JTQLQIEISA-N 1 0 381.723 2.603 20 0 GFADRO C[C@H](NS(=O)(=O)c1c[nH]c2cc(Br)ccc21)C1CC[NH2+]CC1 ZINC000903515142 663786535 /nfs/dbraw/zinc/78/65/35/663786535.db2.gz KLKYTSRRTCPGED-JTQLQIEISA-N 1 0 386.315 2.597 20 0 GFADRO CC[C@H]1CN(S(=O)(=O)Cc2cccc(Cl)c2Br)CC[C@H]1[NH3+] ZINC000903518199 663786901 /nfs/dbraw/zinc/78/69/01/663786901.db2.gz QDEQMUKDHSUWNG-GXFFZTMASA-N 1 0 395.750 2.992 20 0 GFADRO C[C@H]1C[C@H]([NH3+])CCN1S(=O)(=O)Cc1cccc(Cl)c1Br ZINC000903522094 663787103 /nfs/dbraw/zinc/78/71/03/663787103.db2.gz KRTPFPUNSFYRCJ-GXSJLCMTSA-N 1 0 381.723 2.744 20 0 GFADRO CN(Cc1c(F)cccc1Cl)C(=O)CN1CC[C@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000903533476 663787428 /nfs/dbraw/zinc/78/74/28/663787428.db2.gz CYOPCSDSPILKDC-FZMZJTMJSA-N 1 0 381.801 2.649 20 0 GFADRO [NH3+]CC1(c2ccccc2)CCN(S(=O)(=O)c2occc2Br)CC1 ZINC000903532763 663787496 /nfs/dbraw/zinc/78/74/96/663787496.db2.gz NHCLGEHQWSXLEI-UHFFFAOYSA-N 1 0 399.310 2.723 20 0 GFADRO C[C@@H]1CN(S(=O)(=O)c2cccc(Cl)c2Br)C[C@H]1CC[NH3+] ZINC000903555931 663788503 /nfs/dbraw/zinc/78/85/03/663788503.db2.gz GZJGFTWPWMHLNM-NXEZZACHSA-N 1 0 381.723 2.708 20 0 GFADRO COc1ccc2nc(Cl)ccc2c1S(=O)(=O)N1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903552876 663788562 /nfs/dbraw/zinc/78/85/62/663788562.db2.gz NHKPUHSWHRNDIR-VXGBXAGGSA-N 1 0 383.901 2.502 20 0 GFADRO [NH3+]C[C@H]1C[C@H](NS(=O)(=O)c2cc(Cl)c(Cl)cc2Br)C1 ZINC000903569826 663789081 /nfs/dbraw/zinc/78/90/81/663789081.db2.gz RCNRENXPRMQSHN-LJGSYFOKSA-N 1 0 388.114 2.772 20 0 GFADRO [NH3+][C@H]1CN(S(=O)(=O)c2cc(Cl)sc2Cl)CC[C@@H]1C(F)(F)F ZINC000903578345 663789943 /nfs/dbraw/zinc/78/99/43/663789943.db2.gz GJOTUJLZHIAIOC-WDSKDSINSA-N 1 0 383.244 2.955 20 0 GFADRO [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(S(=O)(=O)c1csc(-c3ccc(Cl)cc3)n1)C2 ZINC000903581347 663790424 /nfs/dbraw/zinc/79/04/24/663790424.db2.gz ISPRLQCUTLQGGU-BPNCWPANSA-N 1 0 383.926 2.964 20 0 GFADRO [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(S(=O)(=O)c1csc(-c3ccc(Cl)cc3)n1)C2 ZINC000903581348 663790463 /nfs/dbraw/zinc/79/04/63/663790463.db2.gz ISPRLQCUTLQGGU-GDLCADMTSA-N 1 0 383.926 2.964 20 0 GFADRO C[NH2+]CCN(C(C)C)S(=O)(=O)c1cnc2c(Br)csc2c1 ZINC000903591517 663790991 /nfs/dbraw/zinc/79/09/91/663790991.db2.gz ORTRWUSUGLRHBI-UHFFFAOYSA-N 1 0 392.344 2.677 20 0 GFADRO [NH3+]C[C@@]12CC[C@H]1CCCN2CC(=O)Nc1c(F)cc(F)cc1Br ZINC000903798361 663807324 /nfs/dbraw/zinc/80/73/24/663807324.db2.gz NJCYCUMKVKBCSG-HWPZZCPQSA-N 1 0 388.256 2.869 20 0 GFADRO COCC[C@@H]1C[NH2+]CCN1CC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000903833416 663807886 /nfs/dbraw/zinc/80/78/86/663807886.db2.gz WDNJYGDASAYKAB-GFCCVEGCSA-N 1 0 379.810 2.608 20 0 GFADRO COCC[C@@H]1C[NH2+]CCN1Cc1ncc(-c2ccc(Br)cc2)o1 ZINC000903836991 663808170 /nfs/dbraw/zinc/80/81/70/663808170.db2.gz ZBSGABJTAALGPM-OAHLLOKOSA-N 1 0 380.286 2.914 20 0 GFADRO CN(Cc1cnnn1[C@@H]1CCC[NH2+]C1)Cc1ccc(F)cc1Br ZINC000903916008 663811415 /nfs/dbraw/zinc/81/14/15/663811415.db2.gz QJHPXZDJMHFVBZ-CQSZACIVSA-N 1 0 382.281 2.736 20 0 GFADRO [NH3+]Cc1nc2c(s1)CCN(Cc1cn(-c3ccc(F)cc3Cl)nn1)C2 ZINC000903942615 663813053 /nfs/dbraw/zinc/81/30/53/663813053.db2.gz SHXAXIWPTNPRGW-UHFFFAOYSA-N 1 0 378.864 2.533 20 0 GFADRO [NH3+]CCCn1ccc(-c2nc(Cc3c(F)ccc(Br)c3F)no2)n1 ZINC000904119272 663825385 /nfs/dbraw/zinc/82/53/85/663825385.db2.gz QGEFBZKRKVKRIB-UHFFFAOYSA-N 1 0 398.211 2.913 20 0 GFADRO O=C(Nc1cc(Br)ccc1-n1cccn1)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000904335565 663830758 /nfs/dbraw/zinc/83/07/58/663830758.db2.gz GCHHFMCNXJBBHY-YNEHKIRRSA-N 1 0 376.258 2.649 20 0 GFADRO [NH3+]C[C@@]12CC[C@@H]1CCN2C(=O)Nc1ccc(F)cc1I ZINC000904365007 663831328 /nfs/dbraw/zinc/83/13/28/663831328.db2.gz VGNVYAVYIUQSIG-OTYXRUKQSA-N 1 0 389.212 2.775 20 0 GFADRO [NH3+]C[C@H]1C[C@H](NC(=O)Nc2cc(I)ccc2Cl)C1 ZINC000904373110 663831821 /nfs/dbraw/zinc/83/18/21/663831821.db2.gz LCVYERVCGDVLFE-XWEPSHTISA-N 1 0 379.629 2.803 20 0 GFADRO [NH3+]C[C@]12CC[C@@H]1CCN2C(=O)Nc1cnn(-c2ccccc2Br)c1 ZINC000904392925 663832502 /nfs/dbraw/zinc/83/25/02/663832502.db2.gz DJKHISXLWUHTNJ-SJKOYZFVSA-N 1 0 390.285 2.980 20 0 GFADRO Cc1c(NC(=O)N(C)C2(C[NH3+])CCOCC2)cnc(Cl)c1Br ZINC000904419019 663833330 /nfs/dbraw/zinc/83/33/30/663833330.db2.gz KJLBUIOHKBRBEK-UHFFFAOYSA-N 1 0 391.697 2.778 20 0 GFADRO Cc1ccc(I)cc1NC(=O)N1CC[C@@H]2CC[C@]21C[NH3+] ZINC000904424693 663833693 /nfs/dbraw/zinc/83/36/93/663833693.db2.gz KDTHEKBPFXSDBC-NHYWBVRUSA-N 1 0 385.249 2.945 20 0 GFADRO [NH3+]C[C@H]1C[C@H](NC(=O)Nc2ccc(-c3ccc(Br)s3)nn2)C1 ZINC000904462543 663835434 /nfs/dbraw/zinc/83/54/34/663835434.db2.gz VTLNGWKITOTQME-KYZUINATSA-N 1 0 382.287 2.826 20 0 GFADRO COCCOc1ccc(NC(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)cc1Br ZINC000904549884 663837512 /nfs/dbraw/zinc/83/75/12/663837512.db2.gz YEMMEUMSTOVWKR-YVEFUNNKSA-N 1 0 398.301 2.548 20 0 GFADRO COCCOc1ccc(NC(=O)N(C2CC2)[C@H]2CC[NH2+]C2)cc1Br ZINC000904550571 663837692 /nfs/dbraw/zinc/83/76/92/663837692.db2.gz GTENTOKLBPRQNM-AWEZNQCLSA-N 1 0 398.301 2.833 20 0 GFADRO COCCOc1ccc(NC(=O)N[C@H]2CC[NH2+]C[C@H]2C)cc1Br ZINC000904550432 663837742 /nfs/dbraw/zinc/83/77/42/663837742.db2.gz FKXPCMYKOYMRPX-RISCZKNCSA-N 1 0 386.290 2.594 20 0 GFADRO COCCOc1ccc(NC(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)cc1Br ZINC000904551061 663837933 /nfs/dbraw/zinc/83/79/33/663837933.db2.gz KUWFINHHBHQXED-OKILXGFUSA-N 1 0 398.301 2.833 20 0 GFADRO COCCOc1ccc(NC(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)cc1Br ZINC000904552804 663838113 /nfs/dbraw/zinc/83/81/13/663838113.db2.gz YYHDCFXEHXZDKU-SMDDNHRTSA-N 1 0 386.290 2.594 20 0 GFADRO Cc1cc(-c2noc([C@]34C[NH2+]C[C@H]3CCOC4)n2)cc(C)c1Br ZINC000904692665 663841190 /nfs/dbraw/zinc/84/11/90/663841190.db2.gz PKKKMRXWPTUIRP-DYVFJYSZSA-N 1 0 378.270 2.993 20 0 GFADRO Cc1sc(C[NH2+]C[C@H](O)C[C@]2(O)CCOC2)nc1-c1ccc(Cl)cc1 ZINC000905067632 663851265 /nfs/dbraw/zinc/85/12/65/663851265.db2.gz GPYAZXXMMOFIOB-CRAIPNDOSA-N 1 0 382.913 2.764 20 0 GFADRO COc1cc(Br)c(C[NH2+]C[C@@H](O)CC2(O)CCCC2)cc1OC ZINC000905088760 663852078 /nfs/dbraw/zinc/85/20/78/663852078.db2.gz KCUBSEKENDWCAN-ZDUSSCGKSA-N 1 0 388.302 2.612 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CC[NH2+]C[C@@H](O)CC1(O)CCCC1 ZINC000905091238 663852095 /nfs/dbraw/zinc/85/20/95/663852095.db2.gz ZACHKGHCYDOULO-HNNXBMFYSA-N 1 0 399.329 2.732 20 0 GFADRO NS(=O)(=O)Cc1cccc(C[NH2+]C[C@H](O)c2ccc(Cl)c(Cl)c2)c1 ZINC000905090420 663852124 /nfs/dbraw/zinc/85/21/24/663852124.db2.gz UZJTYMHWGQPLBH-INIZCTEOSA-N 1 0 389.304 2.605 20 0 GFADRO O[C@H](C[NH2+][C@@H]1CCN(c2ccccc2Br)C1)CC1(O)CCCC1 ZINC000905102454 663853301 /nfs/dbraw/zinc/85/33/01/663853301.db2.gz DFIVMFJKCMHSPM-CABCVRRESA-N 1 0 383.330 2.674 20 0 GFADRO O=C1[C@H]([NH2+]C[C@@H](O)CCC2(O)CCC2)CCN1c1ccc(Cl)c(Cl)c1 ZINC000905202889 663858301 /nfs/dbraw/zinc/85/83/01/663858301.db2.gz ORRQVDJHLXYSMI-XJKSGUPXSA-N 1 0 387.307 2.744 20 0 GFADRO O[C@@H](CCC1(O)CCC1)C[NH2+][C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000905237290 663861602 /nfs/dbraw/zinc/86/16/02/663861602.db2.gz HYBUQJWRGQNMMO-WBVHZDCISA-N 1 0 383.330 2.674 20 0 GFADRO CC(C)Oc1cc(Br)cc(NC(=O)NCCN2CCC([NH3+])CC2)c1 ZINC000905294236 663864530 /nfs/dbraw/zinc/86/45/30/663864530.db2.gz SMIPJFDLDSLTDL-UHFFFAOYSA-N 1 0 399.333 2.781 20 0 GFADRO CC(C)(C)OC(=O)N[C@H]1C[C@H](C[NH2+]C[C@](C)(O)C(F)(F)C(F)(F)F)C1 ZINC000905407206 663869862 /nfs/dbraw/zinc/86/98/62/663869862.db2.gz AWISSLVYEJIAOC-KWBADKCTSA-N 1 0 376.366 2.828 20 0 GFADRO O=C1NCCN1c1ccc(C[NH2+]C[C@@H](O)c2ccc(Br)cc2)cc1 ZINC000905421175 663870869 /nfs/dbraw/zinc/87/08/69/663870869.db2.gz WWIREWCRWMWDQK-QGZVFWFLSA-N 1 0 390.281 2.802 20 0 GFADRO C[C@](O)(C[NH2+]C1CC(CC(N)=O)C1)c1ccc(Br)cc1Cl ZINC000905533820 663877186 /nfs/dbraw/zinc/87/71/86/663877186.db2.gz LOQZTPQOWQTMRC-ZPCPWSMKSA-N 1 0 375.694 2.554 20 0 GFADRO O[C@@H](C[NH2+]CC1(C2(O)CCOCC2)CC1)COc1ccc(Cl)c(Cl)c1 ZINC000905552175 663878068 /nfs/dbraw/zinc/87/80/68/663878068.db2.gz NDXNEZYEYPVHSX-ZDUSSCGKSA-N 1 0 390.307 2.644 20 0 GFADRO COC(=O)[C@@H]1C[C@@H]2C[C@H]([NH2+]C[C@H](O)COc3ccc(Cl)c(Cl)c3)[C@@H]2C1 ZINC000905655761 663884165 /nfs/dbraw/zinc/88/41/65/663884165.db2.gz ZSNMRXRBFGYNGS-MMWXERNNSA-N 1 0 388.291 2.910 20 0 GFADRO Cn1cc([C@@]2(C[NH2+]C[C@@H](O)c3ccc(F)c(Br)c3)CCCO2)cn1 ZINC000905685091 663886353 /nfs/dbraw/zinc/88/63/53/663886353.db2.gz CMBLXXHNSFGNLD-SJORKVTESA-N 1 0 398.276 2.651 20 0 GFADRO O=S(=O)(N=S1(=O)CCCC1)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000906059544 663916621 /nfs/dbraw/zinc/91/66/21/663916621.db2.gz QXYJWYCAPWDCRZ-UHFFFAOYSA-N 1 0 385.555 2.634 20 0 GFADRO C[C@H](CNC(=O)c1nscc1I)[N@@H+]1CCCC[C@H]1C ZINC000906150593 663929465 /nfs/dbraw/zinc/92/94/65/663929465.db2.gz NUOQCLYBKASBFK-NXEZZACHSA-N 1 0 393.294 2.740 20 0 GFADRO Cc1c(C(=O)N2CCC[C@@H]2C[NH+](C)C)nnn1-c1ccccc1Br ZINC000906522520 663955642 /nfs/dbraw/zinc/95/56/42/663955642.db2.gz ADKWAWGPEKEZIS-CYBMUJFWSA-N 1 0 392.301 2.504 20 0 GFADRO O=C(Nc1ccc(Br)c2ccccc12)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000906716195 663966894 /nfs/dbraw/zinc/96/68/94/663966894.db2.gz FGYCEGMIPJKXQP-AMKSKSKJSA-N 1 0 388.265 2.550 20 0 GFADRO O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)N1CCC[C@@]12CC[NH2+]C2 ZINC000906755326 663968737 /nfs/dbraw/zinc/96/87/37/663968737.db2.gz BFBFTIOTUAWBFG-HNNXBMFYSA-N 1 0 375.778 2.652 20 0 GFADRO O=C(Nc1cc(Cl)ccc1C(F)(F)F)C(=O)N1CCC[C@]12CC[NH2+]C2 ZINC000906773201 663969920 /nfs/dbraw/zinc/96/99/20/663969920.db2.gz SVXLCRHMRCQARF-OAHLLOKOSA-N 1 0 375.778 2.652 20 0 GFADRO Cn1nnc(C(=O)NC[C@@H](c2ccc(Cl)cc2)[NH+](C)C)c1C(F)(F)F ZINC000906881706 663978883 /nfs/dbraw/zinc/97/88/83/663978883.db2.gz AJLACKHXRWLCFZ-NSHDSACASA-N 1 0 375.782 2.520 20 0 GFADRO C[N@@H+]1CCC[C@H](CNS(=O)(=O)c2c[nH]c3c2cccc3Br)C1 ZINC000906932656 663983804 /nfs/dbraw/zinc/98/38/04/663983804.db2.gz HFNFPATYTIAXQI-LLVKDONJSA-N 1 0 386.315 2.551 20 0 GFADRO C[NH+](C)[C@H](CC(=O)N[C@H]1CCc2ncc(Br)n2C1)c1ccccc1 ZINC000907278580 664018283 /nfs/dbraw/zinc/01/82/83/664018283.db2.gz HEVQLLWQZPCGMN-LSDHHAIUSA-N 1 0 391.313 2.770 20 0 GFADRO C[C@H](NC(=O)COCCc1ccc(Br)cc1)C1=CC[N@H+](C)CC1 ZINC000907284722 664019661 /nfs/dbraw/zinc/01/96/61/664019661.db2.gz XVLSLRHBZBXHOO-AWEZNQCLSA-N 1 0 381.314 2.775 20 0 GFADRO O=S(=O)(Cc1ccc(F)cc1Cl)NC1CC[NH+](C2CCOCC2)CC1 ZINC000907328234 664023834 /nfs/dbraw/zinc/02/38/34/664023834.db2.gz FEDZSQLAXFATET-UHFFFAOYSA-N 1 0 390.908 2.542 20 0 GFADRO O=S(=O)(/C=C/c1ccc(Cl)cc1)NC1CC[NH+](C2CCOCC2)CC1 ZINC000907329887 664024122 /nfs/dbraw/zinc/02/41/22/664024122.db2.gz ZEUDJYUAABGXEW-NTEUORMPSA-N 1 0 384.929 2.874 20 0 GFADRO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)S(=O)(=O)N3CCC[C@H](C)C3)C2)s1 ZINC000907345898 664025954 /nfs/dbraw/zinc/02/59/54/664025954.db2.gz LNYUQZQUCIPUDZ-RDJZCZTQSA-N 1 0 385.599 2.787 20 0 GFADRO C[C@H](CCNC(=O)c1nscc1I)[NH+]1CCCCC1 ZINC000907345463 664025965 /nfs/dbraw/zinc/02/59/65/664025965.db2.gz QUIPQMKHSRUICU-SNVBAGLBSA-N 1 0 393.294 2.742 20 0 GFADRO Cc1ccc(C[N@H+]2CC[C@H](CN(C)S(=O)(=O)c3cncc(F)c3)C2)s1 ZINC000907347596 664026950 /nfs/dbraw/zinc/02/69/50/664026950.db2.gz TWNDANGTIXUMTR-CQSZACIVSA-N 1 0 383.514 2.733 20 0 GFADRO Cc1nc(S(=O)(=O)N2CCC23CC[NH+](C)CC3)c(-c2ccccc2)s1 ZINC000907857816 664066269 /nfs/dbraw/zinc/06/62/69/664066269.db2.gz PFEQCMCTPZNAHC-UHFFFAOYSA-N 1 0 377.535 2.977 20 0 GFADRO COc1cc(C(F)(F)F)cc(S(=O)(=O)N2CCC23CC[NH+](C)CC3)c1 ZINC000907857018 664066280 /nfs/dbraw/zinc/06/62/80/664066280.db2.gz GRWKCCAJXLWGAC-UHFFFAOYSA-N 1 0 378.416 2.573 20 0 GFADRO CC[NH+](CC)CC[C@@H](CO)NC(=O)Cc1c[nH]c2ccc(Br)cc12 ZINC000907933714 664072585 /nfs/dbraw/zinc/07/25/85/664072585.db2.gz CIPWLRPLWULYKB-HNNXBMFYSA-N 1 0 396.329 2.682 20 0 GFADRO COc1ccc([C@@H](C[NH+](C)C)NC(=O)C[C@H](O)C(Cl)(Cl)Cl)cc1 ZINC000908090683 664082568 /nfs/dbraw/zinc/08/25/68/664082568.db2.gz DSVYSLZLQRNHQN-OLZOCXBDSA-N 1 0 383.703 2.535 20 0 GFADRO Cc1c(Br)cccc1CC(=O)N1CCC(CO)([NH2+]C(C)C)CC1 ZINC000908600568 664116688 /nfs/dbraw/zinc/11/66/88/664116688.db2.gz IWGZCSBIYNCAMY-UHFFFAOYSA-N 1 0 383.330 2.652 20 0 GFADRO COC(=O)c1cc(Br)cc(NC(=O)[C@@]23CC[N@H+](C2)CCC3)c1C ZINC000910926199 664231403 /nfs/dbraw/zinc/23/14/03/664231403.db2.gz RKUFYMVJLOAWTM-KRWDZBQOSA-N 1 0 381.270 2.969 20 0 GFADRO C[C@H](CNC(=O)C(=O)NCC[C@@H]1C[NH2+]C[C@H]1C)c1c(Cl)cccc1Cl ZINC000911186323 664237962 /nfs/dbraw/zinc/23/79/62/664237962.db2.gz GCTPJKXUPUYXSS-JHJVBQTASA-N 1 0 386.323 2.575 20 0 GFADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCc2[nH]cnc2[C@H]1c1ccc(Br)cc1 ZINC000911249707 664240143 /nfs/dbraw/zinc/24/01/43/664240143.db2.gz NMPGJNIFIAFMFN-DOTOQJQBSA-N 1 0 389.297 2.741 20 0 GFADRO CC[C@@H](C(=O)N1CCc2[nH]cnc2[C@H]1c1ccc(Br)cc1)[NH+](C)C ZINC000911253350 664240645 /nfs/dbraw/zinc/24/06/45/664240645.db2.gz UJUIADWXXAMYJR-DOTOQJQBSA-N 1 0 391.313 2.987 20 0 GFADRO COC(=O)c1nc(C(=O)Nc2nc3c(s2)C[N@@H+](C(C)(C)C)CC3)cs1 ZINC000911292369 664242658 /nfs/dbraw/zinc/24/26/58/664242658.db2.gz DWXAHGMCCXMNCI-UHFFFAOYSA-N 1 0 380.495 2.795 20 0 GFADRO CC[NH2+]Cc1ccccc1NC(=O)c1cc(Br)c(C)n(C)c1=O ZINC000911685276 664252785 /nfs/dbraw/zinc/25/27/85/664252785.db2.gz NDWXKVGXVCZARZ-UHFFFAOYSA-N 1 0 378.270 2.818 20 0 GFADRO O=C(NC[C@H]1CCCC[NH2+]1)c1c(Cl)ccc(I)c1F ZINC000911714914 664254020 /nfs/dbraw/zinc/25/40/20/664254020.db2.gz SLKOJNKGHMOECX-MRVPVSSYSA-N 1 0 396.631 2.956 20 0 GFADRO O=C(c1ccc2c(Br)cnn2c1)N1CCC([NH2+]CC2CC2)CC1 ZINC000911842855 664258432 /nfs/dbraw/zinc/25/84/32/664258432.db2.gz YAXOSBSPEYHCBQ-UHFFFAOYSA-N 1 0 377.286 2.701 20 0 GFADRO CC(C)[C@H]([NH3+])CCN(C)C(=O)C[C@H]1c2cc(Br)ccc2NC1=O ZINC000911869777 664259897 /nfs/dbraw/zinc/25/98/97/664259897.db2.gz CNEOYWAFJDGCCJ-UONOGXRCSA-N 1 0 382.302 2.707 20 0 GFADRO C[C@@H](Oc1ccc(Cl)c(Cl)c1)C(=O)N(CCO)C1CC[NH+](C)CC1 ZINC000911934289 664262504 /nfs/dbraw/zinc/26/25/04/664262504.db2.gz CJAZVTHGWPOWTP-GFCCVEGCSA-N 1 0 375.296 2.676 20 0 GFADRO C[NH+]1CCC(N(CCO)C(=O)c2cc(F)c(Br)c(Cl)c2)CC1 ZINC000911941828 664262834 /nfs/dbraw/zinc/26/28/34/664262834.db2.gz JEILGSFNDVYBJM-UHFFFAOYSA-N 1 0 393.684 2.770 20 0 GFADRO CCN(CC)S(=O)(=O)c1cc(NC(=O)CCCC[NH2+]C)ccc1Cl ZINC000911993856 664265332 /nfs/dbraw/zinc/26/53/32/664265332.db2.gz VYYAMUFZOOFSHW-UHFFFAOYSA-N 1 0 375.922 2.699 20 0 GFADRO C[C@@H]1[NH2+]CCn2c(C(=O)NCC(=O)Nc3cc(Cl)ccc3Cl)ccc21 ZINC000912029319 664266979 /nfs/dbraw/zinc/26/69/79/664266979.db2.gz MKIWJQZYEMCSDF-JTQLQIEISA-N 1 0 381.263 2.828 20 0 GFADRO O=C(CNC(=O)C(F)(F)C1CC[NH2+]CC1)Nc1cc(Cl)ccc1Cl ZINC000912028571 664266982 /nfs/dbraw/zinc/26/69/82/664266982.db2.gz BCLSSVGBAQPETD-UHFFFAOYSA-N 1 0 380.222 2.683 20 0 GFADRO O=C(N[C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1cc(Br)cn(C2CC2)c1=O ZINC000912065958 664269286 /nfs/dbraw/zinc/26/92/86/664269286.db2.gz PALQKQZXANJBNE-HOTGVXAUSA-N 1 0 394.313 2.692 20 0 GFADRO O=C(NCCc1ccc(Br)cc1)[C@@H]1CC[NH2+][C@H]([C@@H]2CCCO2)C1 ZINC000912285270 664279965 /nfs/dbraw/zinc/27/99/65/664279965.db2.gz PLRCSZKKAYZICG-PVAVHDDUSA-N 1 0 381.314 2.655 20 0 GFADRO C[C@@H]1C[C@H](C(=O)N2CCN(C(=O)c3cccc(Cl)c3Cl)CC2)CC[NH2+]1 ZINC000912381017 664284219 /nfs/dbraw/zinc/28/42/19/664284219.db2.gz NFQRHNVFZSZIFZ-CHWSQXEVSA-N 1 0 384.307 2.666 20 0 GFADRO CC(C)C[NH2+]C1(CO)CCN(C(=O)c2csc(Br)c2)CC1 ZINC000912590927 664294198 /nfs/dbraw/zinc/29/41/98/664294198.db2.gz AQQHMYMGTQTMJH-UHFFFAOYSA-N 1 0 375.332 2.723 20 0 GFADRO Cc1c(Br)cc(C(=O)N2CCCC[C@H]2[C@H](C)C[NH+](C)C)c(=O)n1C ZINC000912805919 664303121 /nfs/dbraw/zinc/30/31/21/664303121.db2.gz BVQBNKJGOKNJLS-WBMJQRKESA-N 1 0 398.345 2.649 20 0 GFADRO O=C(c1cc(=O)c2cc(Br)ccc2o1)N1CCC([NH+]2CCC2)CC1 ZINC000912871254 664306752 /nfs/dbraw/zinc/30/67/52/664306752.db2.gz ORIDZUGZIGCRHD-UHFFFAOYSA-N 1 0 391.265 2.866 20 0 GFADRO O=C(c1cnn(-c2ccccc2)c1Br)N1CCC([NH+]2CCC2)CC1 ZINC000912875386 664307088 /nfs/dbraw/zinc/30/70/88/664307088.db2.gz COUVFRLZUCXASB-UHFFFAOYSA-N 1 0 389.297 2.945 20 0 GFADRO COc1cc(/C=C/C(=O)N2CCC([NH+]3CCC3)CC2)cc(Br)c1O ZINC000912882596 664307301 /nfs/dbraw/zinc/30/73/01/664307301.db2.gz FDXNHERLGFJOEQ-ONEGZZNKSA-N 1 0 395.297 2.873 20 0 GFADRO Cc1cc(C)c(C(=O)N2CC[C@H]([NH+]3CCC3)C2)cc1I ZINC000912910051 664309386 /nfs/dbraw/zinc/30/93/86/664309386.db2.gz WXIMTDRFXKDPLW-ZDUSSCGKSA-N 1 0 384.261 2.828 20 0 GFADRO O=C(c1cnn(-c2ccc(Br)cc2)c1)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000912920530 664310165 /nfs/dbraw/zinc/31/01/65/664310165.db2.gz XPRKHFWQQRULCG-MRXNPFEDSA-N 1 0 375.270 2.555 20 0 GFADRO C[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1cn(C)nc1Br ZINC000913103157 664324083 /nfs/dbraw/zinc/32/40/83/664324083.db2.gz KPAVOZJQMSKYGE-CJNGLKHVSA-N 1 0 391.313 2.823 20 0 GFADRO C[NH+](C)C1(C)CCN(C(=O)c2cc(Br)c3c(c2)OCCO3)CC1 ZINC000913398562 664334959 /nfs/dbraw/zinc/33/49/59/664334959.db2.gz LQEJHZDKNOSVSZ-UHFFFAOYSA-N 1 0 383.286 2.777 20 0 GFADRO CN([C@@H]1CC[N@@H+](C2CC2)C1)S(=O)(=O)Cc1ccsc1Br ZINC000914094770 664376160 /nfs/dbraw/zinc/37/61/60/664376160.db2.gz NCIHKEDYLDIQSH-GFCCVEGCSA-N 1 0 379.345 2.509 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)NCc1cnc(Br)cn1 ZINC000914098385 664376528 /nfs/dbraw/zinc/37/65/28/664376528.db2.gz BAMWUQUIMHSIHM-CYBMUJFWSA-N 1 0 384.322 2.693 20 0 GFADRO C[C@@H](Cn1ccnc1)NC(=O)N1CCc2cc(F)c(Br)cc2C1 ZINC000914197561 664384492 /nfs/dbraw/zinc/38/44/92/664384492.db2.gz JNRMMMZBKZIEJU-NSHDSACASA-N 1 0 381.249 2.941 20 0 GFADRO CC(C)[NH+]1CCC(NC(=O)c2cn(-c3ccccc3Br)nn2)CC1 ZINC000914751120 664415189 /nfs/dbraw/zinc/41/51/89/664415189.db2.gz GLBFIKZIZPLIMG-UHFFFAOYSA-N 1 0 392.301 2.632 20 0 GFADRO Cc1csc(C)c1S(=O)(=O)N1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000915052849 664419768 /nfs/dbraw/zinc/41/97/68/664419768.db2.gz CYYVPNAGKDDPCK-KRWDZBQOSA-N 1 0 379.551 2.903 20 0 GFADRO Cc1ccc(/C=C\C(=O)NCCCC[NH+]2CCN(C)CC2)c(Br)c1 ZINC000915265906 664425771 /nfs/dbraw/zinc/42/57/71/664425771.db2.gz RJTXEMRJPHSTPH-FPLPWBNLSA-N 1 0 394.357 2.915 20 0 GFADRO O=C(NCc1cnc(Cl)cn1)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000915459904 664431497 /nfs/dbraw/zinc/43/14/97/664431497.db2.gz WXLQXIIARJKADE-ZDUSSCGKSA-N 1 0 379.917 2.903 20 0 GFADRO CCn1c(SCC(=O)N[C@@H](C[NH+](C)C)C(C)C)nnc1-c1cccs1 ZINC000915624297 664435843 /nfs/dbraw/zinc/43/58/43/664435843.db2.gz NYKGRAIFGIGRLK-ZDUSSCGKSA-N 1 0 381.571 2.821 20 0 GFADRO C[C@H]1CCCC[N@@H+]1CCNC(=O)/C=C\c1ccc(I)o1 ZINC000915627422 664435978 /nfs/dbraw/zinc/43/59/78/664435978.db2.gz IFHTYZHJDUILQT-VFFGBVLKSA-N 1 0 388.249 2.888 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1cn(-c2ccccc2Br)nn1 ZINC000916054272 664448156 /nfs/dbraw/zinc/44/81/56/664448156.db2.gz NYJLXYBVSZILSC-CYBMUJFWSA-N 1 0 392.301 2.634 20 0 GFADRO O=C(OCC[NH+]1CCCCC1)[C@H]1CCN(c2ccccc2Br)C1=O ZINC000916093552 664449685 /nfs/dbraw/zinc/44/96/85/664449685.db2.gz VKTFSFRVEIWQGL-AWEZNQCLSA-N 1 0 395.297 2.831 20 0 GFADRO C[C@H](CNC(=O)NCc1cnc(Br)cn1)[N@H+](C)Cc1ccccc1 ZINC000917872521 664491624 /nfs/dbraw/zinc/49/16/24/664491624.db2.gz GMKOGXQERBNFRX-CYBMUJFWSA-N 1 0 392.301 2.559 20 0 GFADRO CCCC[N@H+](C)CCNC(=O)N1CCC[C@H]1c1ncc(Br)cn1 ZINC000918208038 664496860 /nfs/dbraw/zinc/49/68/60/664496860.db2.gz GXDYPPXGAANWEL-AWEZNQCLSA-N 1 0 384.322 2.818 20 0 GFADRO C[C@H](CNC(=O)C(=O)Nc1ccc(Br)cc1F)[NH+]1CCCCC1 ZINC000918465013 664499461 /nfs/dbraw/zinc/49/94/61/664499461.db2.gz ISCSDCGMFSWNGW-LLVKDONJSA-N 1 0 386.265 2.517 20 0 GFADRO Cc1n[nH]c(C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1Br ZINC000919712349 664516976 /nfs/dbraw/zinc/51/69/76/664516976.db2.gz OIYRIYIQODKCOI-AWEZNQCLSA-N 1 0 377.286 2.875 20 0 GFADRO Cc1cc(OCC(=O)N(CC[NH+](C)C)Cc2ccc(Br)cc2)no1 ZINC000919925520 664519625 /nfs/dbraw/zinc/51/96/25/664519625.db2.gz CBUSVYAVZHTDRI-UHFFFAOYSA-N 1 0 396.285 2.715 20 0 GFADRO CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NS(=O)(=O)c3ccc(Cl)s3)C2)[C@@H]1C(C)C ZINC000920296685 664524612 /nfs/dbraw/zinc/52/46/12/664524612.db2.gz VTLCAQXKTGOZGF-AVRGHOLYSA-N 1 0 392.974 2.550 20 0 GFADRO Cn1ccnc1[C@H](NC(=S)NC1CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000920307043 664524857 /nfs/dbraw/zinc/52/48/57/664524857.db2.gz DTNRAFILVVCAJO-MRXNPFEDSA-N 1 0 377.945 2.721 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)N2CCC[C@H]2c2ncc(Br)cn2)C1 ZINC000921331152 664541866 /nfs/dbraw/zinc/54/18/66/664541866.db2.gz XSXOUDSOCYZRGG-ZNMIVQPWSA-N 1 0 396.333 2.958 20 0 GFADRO O=C(NCc1cnc(Br)cn1)NC1CCC([NH+]2CCCCC2)CC1 ZINC000921362578 664543917 /nfs/dbraw/zinc/54/39/17/664543917.db2.gz TVAAFQBCBFCVEZ-UHFFFAOYSA-N 1 0 396.333 2.835 20 0 GFADRO O=S(=O)(CCC[NH+]1CCCC1)N1CCC[C@H](c2nc3c(s2)CCC3)C1 ZINC000921367363 664544394 /nfs/dbraw/zinc/54/43/94/664544394.db2.gz KJUVQGKJPWRWPZ-HNNXBMFYSA-N 1 0 383.583 2.627 20 0 GFADRO C[NH+](C)CC[C@H](NS(=O)(=O)c1cccc(Br)c1)c1cccnc1 ZINC000921479030 664549810 /nfs/dbraw/zinc/54/98/10/664549810.db2.gz ZTDUSCIOZDUGQS-INIZCTEOSA-N 1 0 398.326 2.815 20 0 GFADRO O=C(NCc1csc(-c2ccco2)n1)N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000921506518 664551221 /nfs/dbraw/zinc/55/12/21/664551221.db2.gz HSZWZGHDALGQGC-UONOGXRCSA-N 1 0 378.523 2.782 20 0 GFADRO Cc1nc(CNCc2ccnc(N3CC[NH+](C)CC3)c2)sc1Br ZINC000921541121 664552630 /nfs/dbraw/zinc/55/26/30/664552630.db2.gz YKUGLRZKZIWGIG-UHFFFAOYSA-N 1 0 396.358 2.651 20 0 GFADRO C[C@H](NCc1nc(Br)c[nH]1)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000921546390 664552967 /nfs/dbraw/zinc/55/29/67/664552967.db2.gz ILNWNCGWHPJFCK-NSHDSACASA-N 1 0 393.285 2.680 20 0 GFADRO CN(Cc1ccccc1Br)C(=O)CC[NH2+]Cc1cnn(CCF)c1 ZINC000921723792 664564507 /nfs/dbraw/zinc/56/45/07/664564507.db2.gz IVUDOASZLTUZNO-UHFFFAOYSA-N 1 0 397.292 2.753 20 0 GFADRO CCc1[nH]nc(Cl)c1C[NH2+]C1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000921796734 664569259 /nfs/dbraw/zinc/56/92/59/664569259.db2.gz LRTHPBDMZXNVGD-UHFFFAOYSA-N 1 0 382.917 2.568 20 0 GFADRO CC[N@H+](CCNC(=O)N[C@H]([C@@H]1CCOC1)C(F)(F)F)CCC(F)(F)F ZINC000922188072 664589639 /nfs/dbraw/zinc/58/96/39/664589639.db2.gz NUQUJVXIXVMYQT-GHMZBOCLSA-N 1 0 379.345 2.527 20 0 GFADRO CCN1CCO[C@@H](CNCc2nc(Br)c[nH]2)[C@@H]1c1ccccc1 ZINC000922240723 664591372 /nfs/dbraw/zinc/59/13/72/664591372.db2.gz RKLLQJJGPXHTLH-YOEHRIQHSA-N 1 0 379.302 2.724 20 0 GFADRO CC(C)(C)OC(=O)[C@@H](C[NH2+]Cc1nc(Br)c[nH]1)C1CCOCC1 ZINC000922300109 664593930 /nfs/dbraw/zinc/59/39/30/664593930.db2.gz UUQKYFLMLRLFDC-LBPRGKRZSA-N 1 0 388.306 2.646 20 0 GFADRO CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H]([NH2+]C[C@@H](O)C(F)(F)C(F)(F)F)C1 ZINC000922336646 664595297 /nfs/dbraw/zinc/59/52/97/664595297.db2.gz BBDQQYHNAHVQIK-GMTAPVOTSA-N 1 0 376.366 2.828 20 0 GFADRO C[C@H](NC(=O)NCc1cnc(Br)cn1)[C@H](c1ccccc1)[NH+](C)C ZINC000922413820 664600521 /nfs/dbraw/zinc/60/05/21/664600521.db2.gz JVAUBAFYFKJQFO-BLLLJJGKSA-N 1 0 392.301 2.730 20 0 GFADRO CC[C@@H](C)[NH2+][C@@H](CNC(=O)NCc1cnc(Br)cn1)c1ccco1 ZINC000922424656 664601182 /nfs/dbraw/zinc/60/11/82/664601182.db2.gz PXOXDJFVLVXIBM-YPMHNXCESA-N 1 0 396.289 2.761 20 0 GFADRO Cn1cc(C[NH2+]C[C@H](CC(F)F)NC(=O)OC(C)(C)C)c(Br)n1 ZINC000922465907 664602780 /nfs/dbraw/zinc/60/27/80/664602780.db2.gz IDNSQZUKGRHPSS-JTQLQIEISA-N 1 0 397.264 2.821 20 0 GFADRO CC(C)(C)NS(=O)(=O)C1(C[NH2+]Cc2cnc([C@H]3CCCO3)s2)CCC1 ZINC000922475971 664603328 /nfs/dbraw/zinc/60/33/28/664603328.db2.gz YVRMZLXECGRKHB-CQSZACIVSA-N 1 0 387.571 2.725 20 0 GFADRO CC(C)[N@@H+](C)C[C@H](C)NC(=O)N1CCC[C@@H]1c1ncc(Br)cn1 ZINC000922517002 664605360 /nfs/dbraw/zinc/60/53/60/664605360.db2.gz FQUOGLUXVFUAPP-GXTWGEPZSA-N 1 0 384.322 2.814 20 0 GFADRO CCn1c(Br)c(Br)nc1CN[C@H]1CC[N@H+](C)[C@@H]1C ZINC000922557130 664606762 /nfs/dbraw/zinc/60/67/62/664606762.db2.gz ZNWPPGZQCVCCNG-BDAKNGLRSA-N 1 0 380.128 2.610 20 0 GFADRO O=C(NCCCCC[NH+]1CCCC1)NCC1(n2cc(Br)cn2)CC1 ZINC000922621269 664608717 /nfs/dbraw/zinc/60/87/17/664608717.db2.gz KZROSKCLSWYKKM-UHFFFAOYSA-N 1 0 398.349 2.700 20 0 GFADRO Cc1c(Br)cccc1CC[NH2+]Cc1cn(C[C@@H]2CCOC2)nn1 ZINC000922683949 664610789 /nfs/dbraw/zinc/61/07/89/664610789.db2.gz NSSYXNDXHOCJNB-AWEZNQCLSA-N 1 0 379.302 2.718 20 0 GFADRO CCS(=O)(=O)c1ccccc1CC[NH2+]Cc1c(C)nc2sc(C)nn12 ZINC000922685877 664610792 /nfs/dbraw/zinc/61/07/92/664610792.db2.gz AMCPRUPNPCHZNU-UHFFFAOYSA-N 1 0 378.523 2.534 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+]C[C@H]2CCC[C@@H](C(F)(F)F)O2)cc1Cl ZINC000922699433 664611159 /nfs/dbraw/zinc/61/11/59/664611159.db2.gz WSMRPKCUQZDKAM-MFKMUULPSA-N 1 0 386.823 2.577 20 0 GFADRO Cn1nc(C(F)(F)F)cc1C[NH2+]CC1(n2cc(Br)cn2)CC1 ZINC000922801133 664614673 /nfs/dbraw/zinc/61/46/73/664614673.db2.gz CWXFNBFSZZJRDJ-UHFFFAOYSA-N 1 0 378.196 2.677 20 0 GFADRO Cn1ccnc1[C@@H]1OCCC[C@H]1C[NH2+]CC1(n2cc(Br)cn2)CC1 ZINC000922802775 664614878 /nfs/dbraw/zinc/61/48/78/664614878.db2.gz RVXUIMNHFQCHNP-DZGCQCFKSA-N 1 0 394.317 2.626 20 0 GFADRO Brc1ccn2cc(C[NH2+]C[C@@H]3CCC4(CCOCC4)O3)nc2c1 ZINC000922805926 664615077 /nfs/dbraw/zinc/61/50/77/664615077.db2.gz AWGQEOWBHUERBY-HNNXBMFYSA-N 1 0 380.286 2.915 20 0 GFADRO O=C(c1ccc(Br)cc1F)N1CCC([NH2+]C2CCOCC2)CC1 ZINC000922853568 664616698 /nfs/dbraw/zinc/61/66/98/664616698.db2.gz DWAYQUZTKNCHFD-UHFFFAOYSA-N 1 0 385.277 2.961 20 0 GFADRO Brc1ccc(-n2cc(C[NH2+]CCOC3CCOCC3)cn2)cc1 ZINC000922931155 664618894 /nfs/dbraw/zinc/61/88/94/664618894.db2.gz OIWYABSPXBFMHY-UHFFFAOYSA-N 1 0 380.286 2.920 20 0 GFADRO Cc1nn(-c2ccccc2Br)cc1C[NH2+]CCO[C@H]1CCOC1 ZINC000922936459 664619354 /nfs/dbraw/zinc/61/93/54/664619354.db2.gz HDGGSPHOCYELJP-HNNXBMFYSA-N 1 0 380.286 2.838 20 0 GFADRO Cn1ncc(I)c1C[NH2+]C[C@@H]1CC(C)(C)OC1(C)C ZINC000922949466 664619683 /nfs/dbraw/zinc/61/96/83/664619683.db2.gz ZGVJSNLYZCQDAZ-JTQLQIEISA-N 1 0 377.270 2.708 20 0 GFADRO COc1ccc(C[NH2+]Cc2ccc(S(N)(=O)=O)c(Cl)c2)c(C)c1OC ZINC000922966307 664620207 /nfs/dbraw/zinc/62/02/07/664620207.db2.gz KNIMNEGZSANMCF-UHFFFAOYSA-N 1 0 384.885 2.603 20 0 GFADRO CCOc1cc(C[NH2+][C@H]2CCc3nnn(C)c3C2)cc(Br)c1OC ZINC000922998460 664620598 /nfs/dbraw/zinc/62/05/98/664620598.db2.gz KJBHLPDGQVSEJX-LBPRGKRZSA-N 1 0 395.301 2.632 20 0 GFADRO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(I)cc1F ZINC000923265466 664626907 /nfs/dbraw/zinc/62/69/07/664626907.db2.gz IXHKORVPOSNOLQ-NWDGAFQWSA-N 1 0 388.224 2.739 20 0 GFADRO C[C@H](C(=O)N1[C@@H]2CC[C@H]1C[N@H+](C)CC2)N1C(=S)N=NC1c1cccs1 ZINC000923297462 664627685 /nfs/dbraw/zinc/62/76/85/664627685.db2.gz PGVLQODOLUBSQX-UPJWGTAASA-N 1 0 377.539 2.551 20 0 GFADRO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)N(C)Cc1ncc(Br)cn1 ZINC000923306068 664627829 /nfs/dbraw/zinc/62/78/29/664627829.db2.gz LFGNCEUPSXFDCW-CYBMUJFWSA-N 1 0 384.322 2.501 20 0 GFADRO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)/C=C/c1ccc(I)o1 ZINC000923315630 664628065 /nfs/dbraw/zinc/62/80/65/664628065.db2.gz LDQNUESMWYJKGM-GAEWNOSXSA-N 1 0 386.233 2.593 20 0 GFADRO C[C@@H]1[NH2+]CCN(C[C@@H](O)COc2ccc(Cl)cc2Br)[C@H]1C ZINC000923346644 664628790 /nfs/dbraw/zinc/62/87/90/664628790.db2.gz UGPFFPQMTXVMTI-GMXVVIOVSA-N 1 0 377.710 2.524 20 0 GFADRO O[C@H](COc1ccc(Cl)cc1Br)CN1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000923358614 664628891 /nfs/dbraw/zinc/62/88/91/664628891.db2.gz IVYNGEDLOKTYNW-ZLDLUXBVSA-N 1 0 389.721 2.526 20 0 GFADRO Clc1cccc(CN2CC[NH2+]CCN(Cc3cccc(Cl)n3)CC2)n1 ZINC000923396350 664629617 /nfs/dbraw/zinc/62/96/17/664629617.db2.gz SACCTELQMNZFEK-UHFFFAOYSA-N 1 0 380.323 2.691 20 0 GFADRO [NH3+][C@]1(CO)CCCN(Cc2csc(-c3ccc(Br)cc3)n2)C1 ZINC000923472342 664631087 /nfs/dbraw/zinc/63/10/87/664631087.db2.gz KUXBPYVDYICCLK-MRXNPFEDSA-N 1 0 382.327 2.858 20 0 GFADRO O=S(=O)(c1cnc(-c2ccccc2)s1)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000923576024 664634193 /nfs/dbraw/zinc/63/41/93/664634193.db2.gz LIKAHEIEPDOPBL-CVEARBPZSA-N 1 0 377.535 2.963 20 0 GFADRO C[C@H]1CC2(CN1S(=O)(=O)c1cnc(-c3ccccc3)s1)CC[NH2+]CC2 ZINC000923650026 664635127 /nfs/dbraw/zinc/63/51/27/664635127.db2.gz HHZLAGUJGLREJC-AWEZNQCLSA-N 1 0 377.535 2.963 20 0 GFADRO [NH3+]C[C@@H]1CC2(CO1)CCN(S(=O)(=O)c1cc(Cl)sc1Cl)CC2 ZINC000923686585 664635709 /nfs/dbraw/zinc/63/57/09/664635709.db2.gz MXGSBDCASIZAND-VIFPVBQESA-N 1 0 385.338 2.573 20 0 GFADRO O=S(=O)(Cc1cccc(Cl)c1Br)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000923691655 664635999 /nfs/dbraw/zinc/63/59/99/664635999.db2.gz FYDNQSIPZQNNPK-GXFFZTMASA-N 1 0 393.734 2.616 20 0 GFADRO C[C@H]1CN(S(=O)(=O)c2cccc(Cl)c2Br)CC[C@@H]1C[NH3+] ZINC000923705211 664636584 /nfs/dbraw/zinc/63/65/84/664636584.db2.gz WITQQEJLJVGCBT-VHSXEESVSA-N 1 0 381.723 2.708 20 0 GFADRO COc1ccc(Cl)cc1S(=O)(=O)N[C@H]1C[C@@](C[NH3+])(c2ccccc2)C1 ZINC000923741218 664637397 /nfs/dbraw/zinc/63/73/97/664637397.db2.gz MCJPXWQZJYGJCT-RHNCMZPLSA-N 1 0 380.897 2.686 20 0 GFADRO C[NH+]1CCC(OCC(=O)OCC(=O)Nc2ccc(Cl)cc2Cl)CC1 ZINC000923794222 664638091 /nfs/dbraw/zinc/63/80/91/664638091.db2.gz JLJKIMXXUMRPSA-UHFFFAOYSA-N 1 0 375.252 2.586 20 0 GFADRO CC(C)(C[NH2+][C@@H]1C(=O)NCC12CCOCC2)c1ccc(Br)cc1 ZINC000924686927 664659567 /nfs/dbraw/zinc/65/95/67/664659567.db2.gz XLTICMWLHMJHFL-OAHLLOKOSA-N 1 0 381.314 2.612 20 0 GFADRO O[C@H](CN[C@H](c1ccc(Br)cc1)c1cccnc1)C[NH+]1CCCC1 ZINC000924758037 664661140 /nfs/dbraw/zinc/66/11/40/664661140.db2.gz SFGZYTWAODMWOB-RTBURBONSA-N 1 0 390.325 2.980 20 0 GFADRO CSC[C@H]1NC(=O)N(C[C@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)C1=O ZINC000924768843 664661361 /nfs/dbraw/zinc/66/13/61/664661361.db2.gz HUWCGGWYKBCIJB-CHWSQXEVSA-N 1 0 375.416 2.592 20 0 GFADRO C[C@H]([NH2+]CC1(c2cccc(Br)c2)CCOCC1)c1cnn(C)n1 ZINC000924819452 664662265 /nfs/dbraw/zinc/66/22/65/664662265.db2.gz DFABRAAETJUOIM-ZDUSSCGKSA-N 1 0 379.302 2.977 20 0 GFADRO Cc1ccc([C@H](NC[C@@H](O)C[NH+](C)C)c2cncc(Br)c2)cc1 ZINC000924995464 664664750 /nfs/dbraw/zinc/66/47/50/664664750.db2.gz WBVFPUVBJYPHKM-MSOLQXFVSA-N 1 0 378.314 2.754 20 0 GFADRO C[C@@H]1COC[C@H]1[NH2+]CC(C)(C)S(=O)(=O)c1ccc(Br)cc1 ZINC000925104019 664666764 /nfs/dbraw/zinc/66/67/64/664666764.db2.gz VDUAAEBKPZIITQ-BXUZGUMPSA-N 1 0 376.316 2.626 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCN(c2cccc(Cl)c2)C1)C1CCN(S(C)(=O)=O)CC1 ZINC000925228027 664669044 /nfs/dbraw/zinc/66/90/44/664669044.db2.gz FPYLTYSYEWUTQF-WMLDXEAASA-N 1 0 385.961 2.568 20 0 GFADRO CON1CCC([NH2+][C@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)CC1 ZINC000925260745 664669410 /nfs/dbraw/zinc/66/94/10/664669410.db2.gz QMCKKLHOBVVTCW-ZDUSSCGKSA-N 1 0 378.826 2.948 20 0 GFADRO C[C@@H]([NH2+]C1CCN(S(=O)(=O)C(F)(F)F)CC1)c1ccnn1C1CCC1 ZINC000925267023 664669650 /nfs/dbraw/zinc/66/96/50/664669650.db2.gz TVXPJDSHXXODFW-LLVKDONJSA-N 1 0 380.436 2.573 20 0 GFADRO C[C@H](c1cccc(Br)c1)N1CC(=O)N([C@H]2CCC[N@H+](C)C2)C1=O ZINC000925294235 664669922 /nfs/dbraw/zinc/66/99/22/664669922.db2.gz SYSNPCFQMSTFDM-DOMZBBRYSA-N 1 0 380.286 2.869 20 0 GFADRO COc1cc(Br)c(C[NH2+][C@@H]2CCOC23CCOCC3)cc1OC ZINC000925361211 664671047 /nfs/dbraw/zinc/67/10/47/664671047.db2.gz CVTAXXOCGHRAEC-MRXNPFEDSA-N 1 0 386.286 2.894 20 0 GFADRO O=C1N[C@H](c2ccccc2Br)C(=O)N1CC1CC[NH+](C2CC2)CC1 ZINC000925386531 664671610 /nfs/dbraw/zinc/67/16/10/664671610.db2.gz XTQOXTQBDCHRPY-MRXNPFEDSA-N 1 0 392.297 2.916 20 0 GFADRO CN(Cc1ccccc1Br)C(=O)CCN[C@@H]1CC[NH2+]C12CCC2 ZINC000925569197 664673099 /nfs/dbraw/zinc/67/30/99/664673099.db2.gz ZKOCNUIHJOJICN-MRXNPFEDSA-N 1 0 380.330 2.672 20 0 GFADRO CCON1CCC([NH2+]Cc2ccc(Br)cc2N2CCOCC2)CC1 ZINC000925566387 664673118 /nfs/dbraw/zinc/67/31/18/664673118.db2.gz HSSDSOMJPKYKFK-UHFFFAOYSA-N 1 0 398.345 2.791 20 0 GFADRO Cc1cc(S(=O)(=O)NCC[NH2+][C@@H](C)c2cnn(C3CCC3)c2)c(C)s1 ZINC000925581083 664673317 /nfs/dbraw/zinc/67/33/17/664673317.db2.gz WBYRZNODMDHWDW-ZDUSSCGKSA-N 1 0 382.555 2.916 20 0 GFADRO CCC1([NH3+])CCN([C@H]2CCS(=O)(=O)c3ccc(Br)cc32)CC1 ZINC000925760362 664674373 /nfs/dbraw/zinc/67/43/73/664674373.db2.gz QBEPASHBQVKSIR-AWEZNQCLSA-N 1 0 387.343 2.871 20 0 GFADRO O=S1(=O)CCNC[C@H]1CC[NH2+][C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000925791383 664674917 /nfs/dbraw/zinc/67/49/17/664674917.db2.gz GDZGNBRYHUOZQG-RTBURBONSA-N 1 0 378.925 2.796 20 0 GFADRO CCC[C@H]([NH2+]CC[C@@H]1CNCCS1(=O)=O)c1cccc(C(F)(F)F)c1 ZINC000925796084 664674933 /nfs/dbraw/zinc/67/49/33/664674933.db2.gz NZRNZSMFGPGDSH-CVEARBPZSA-N 1 0 378.460 2.913 20 0 GFADRO COc1cc(Br)c(NC(=O)N2CC[C@H](C[NH3+])[C@H](C)C2)cc1OC ZINC000925972574 664678495 /nfs/dbraw/zinc/67/84/95/664678495.db2.gz GRUABSNRBZOLBT-GHMZBOCLSA-N 1 0 386.290 2.915 20 0 GFADRO COC(=O)c1c(C)c(C)sc1NC(=O)N1CC[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000926005749 664679059 /nfs/dbraw/zinc/67/90/59/664679059.db2.gz XLYJSYHCSKBTBX-NXEZZACHSA-N 1 0 379.404 2.895 20 0 GFADRO COc1ccc(NC(=O)N2CCC3(CO[C@@H](C[NH3+])C3)CC2)cc1Br ZINC000926038301 664679610 /nfs/dbraw/zinc/67/96/10/664679610.db2.gz UPTKXXQESMZOAO-CYBMUJFWSA-N 1 0 398.301 2.819 20 0 GFADRO [NH3+][C@]1(CO)CCCN(C(=O)Nc2cc(F)c(Br)cc2Cl)C1 ZINC000926110375 664681967 /nfs/dbraw/zinc/68/19/67/664681967.db2.gz VLFSSMAZQNIYCP-CYBMUJFWSA-N 1 0 380.645 2.559 20 0 GFADRO Cc1csc([C@H](NC(=O)N2CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C2)C(F)(F)F)n1 ZINC000926130205 664682338 /nfs/dbraw/zinc/68/23/38/664682338.db2.gz MASQQCLQJGLJIA-VGMNWLOBSA-N 1 0 390.353 2.976 20 0 GFADRO O=C(NCC1(n2cc(Br)cn2)CC1)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000926148680 664682987 /nfs/dbraw/zinc/68/29/87/664682987.db2.gz WDIZFGNJUBPSIK-UHFFFAOYSA-N 1 0 390.285 2.602 20 0 GFADRO CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)c1ccsc1Br)C2 ZINC000926148555 664682994 /nfs/dbraw/zinc/68/29/94/664682994.db2.gz SIGDLAVATWVSNK-JXFSHQFZSA-N 1 0 387.343 2.720 20 0 GFADRO Cc1cc(C(=O)N[C@@H]2C[C@]3(C[N@@H+](C)[C@H]3C(C)C)C[C@H]2O)ccc1Br ZINC000926164415 664683437 /nfs/dbraw/zinc/68/34/37/664683437.db2.gz LYGUDHARZHPLMF-VXIBKDFQSA-N 1 0 395.341 2.967 20 0 GFADRO CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NC(=O)c1cc(Br)cs1)C2 ZINC000926176202 664683979 /nfs/dbraw/zinc/68/39/79/664683979.db2.gz NWGUMDSBJCYPPE-UNIGVISCSA-N 1 0 387.343 2.720 20 0 GFADRO Cc1cc(Br)ccc1C(=O)N[C@@H]1C[C@]2(C[N@@H+](C)[C@H]2C(C)C)C[C@H]1O ZINC000926177465 664684149 /nfs/dbraw/zinc/68/41/49/664684149.db2.gz LJUUHBYLTYDAAA-VXIBKDFQSA-N 1 0 395.341 2.967 20 0 GFADRO CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)c1cc(F)cc(Br)c1)C2 ZINC000926179542 664684155 /nfs/dbraw/zinc/68/41/55/664684155.db2.gz FWELNGAGJXLUCD-CBZIJGRNSA-N 1 0 399.304 2.798 20 0 GFADRO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NC(=O)c3cc(Cl)ncc3Cl)C2)[C@@H]1C(C)C ZINC000926244259 664685131 /nfs/dbraw/zinc/68/51/31/664685131.db2.gz NOUHYIMSCKYJKN-DEICHXMPSA-N 1 0 386.323 2.988 20 0 GFADRO CC(=O)N[C@@H](c1ccccc1F)[C@@H](C)[NH2+]Cc1ccc(S(C)(=O)=O)s1 ZINC000926250425 664685487 /nfs/dbraw/zinc/68/54/87/664685487.db2.gz OOFJRUSWWXRIBU-PIGZYNQJSA-N 1 0 384.498 2.646 20 0 GFADRO COCCS(=O)(=O)c1ccc(C[NH2+][C@@H](C)C2(Br)CC2)cc1 ZINC000926281048 664686064 /nfs/dbraw/zinc/68/60/64/664686064.db2.gz JGAWACQWENZMBP-LBPRGKRZSA-N 1 0 376.316 2.512 20 0 GFADRO CC1(C)CC2(CC([NH2+]CCCNS(=O)(=O)c3ccccc3Cl)C2)CO1 ZINC000926355341 664688442 /nfs/dbraw/zinc/68/84/42/664688442.db2.gz ZPEKLSUWLMQFAY-UHFFFAOYSA-N 1 0 386.945 2.946 20 0 GFADRO O=S(=O)(NCC[NH2+][C@@H](C1CC1)[C@H]1CCCOC1)c1ccc(Cl)cc1F ZINC000926356116 664688592 /nfs/dbraw/zinc/68/85/92/664688592.db2.gz FTUCONKPGMDJHN-GUYCJALGSA-N 1 0 390.908 2.552 20 0 GFADRO C[C@@H](C[C@H]1CCC(=O)N1)[NH2+]Cc1c(Br)cncc1Br ZINC000926499715 664690812 /nfs/dbraw/zinc/69/08/12/664690812.db2.gz AVQUGXKPVQTFQP-DTWKUNHWSA-N 1 0 391.107 2.753 20 0 GFADRO Cc1ccc(C[C@@H](CO)C[NH2+][C@@H]2CCOC23CCOCC3)cc1Br ZINC000926539519 664691792 /nfs/dbraw/zinc/69/17/92/664691792.db2.gz WKSAPJSQRSFXDZ-SJLPKXTDSA-N 1 0 398.341 2.836 20 0 GFADRO C[C@H]([NH2+]CC[C@H]1CSc2ccccc2O1)C1CCN(S(C)(=O)=O)CC1 ZINC000926630780 664694120 /nfs/dbraw/zinc/69/41/20/664694120.db2.gz YNSROIOEYYHKQX-HOCLYGCPSA-N 1 0 384.567 2.580 20 0 GFADRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]CC[S@@](=O)CC(F)(F)F)C12CCC2 ZINC000926685627 664695266 /nfs/dbraw/zinc/69/52/66/664695266.db2.gz YLKRKALLBHYVNW-XELLLNAOSA-N 1 0 384.464 2.819 20 0 GFADRO CCO[C@H](CNC(=O)N(C)Cc1cc(Br)cs1)C[NH+](C)C ZINC000926830741 664697422 /nfs/dbraw/zinc/69/74/22/664697422.db2.gz PBCNGNQISDEDHG-GFCCVEGCSA-N 1 0 378.336 2.619 20 0 GFADRO CCO[C@H](CNC(=O)N[C@H](CCO)c1ccc(Cl)c(Cl)c1)C[NH+](C)C ZINC000926843742 664697740 /nfs/dbraw/zinc/69/77/40/664697740.db2.gz JFZBOFQPVHRLRX-CZUORRHYSA-N 1 0 392.327 2.683 20 0 GFADRO O=c1[nH]c(=O)n(C2CC2)cc1C[NH2+][C@H]1CCCc2ncc(Br)cc21 ZINC000926851997 664697854 /nfs/dbraw/zinc/69/78/54/664697854.db2.gz WFZOTNOBVJFCHY-AWEZNQCLSA-N 1 0 391.269 2.609 20 0 GFADRO COc1cc(Br)cc(C[NH2+][C@@H](C)c2cccc(S(N)(=O)=O)c2)c1 ZINC000926903338 664698881 /nfs/dbraw/zinc/69/88/81/664698881.db2.gz KSISOUXZLLUHJI-NSHDSACASA-N 1 0 399.310 2.956 20 0 GFADRO CC(C)(C)C[C@@H]([NH2+]C[C@@H](O)CS(C)(=O)=O)c1ccc(Br)cc1 ZINC000927024952 664702469 /nfs/dbraw/zinc/70/24/69/664702469.db2.gz MZKVURVAOCTRCL-HUUCEWRRSA-N 1 0 392.359 2.922 20 0 GFADRO C[C@@H]([NH2+][C@H](C)C1CCN(S(C)(=O)=O)CC1)c1cc(Cl)cc2c1OCC2 ZINC000927142404 664705112 /nfs/dbraw/zinc/70/51/12/664705112.db2.gz UVVHMKMXNDXZJV-CHWSQXEVSA-N 1 0 386.945 2.986 20 0 GFADRO C[C@@H](CCc1ccc(I)cc1)[NH2+]C[C@@H](O)c1ccnn1C ZINC000927133570 664705130 /nfs/dbraw/zinc/70/51/30/664705130.db2.gz ZRTKFWPXQPMXPC-BLLLJJGKSA-N 1 0 399.276 2.669 20 0 GFADRO Cc1ccc(Cc2cnc(N3C(=O)N[C@@H](C[NH+](C)C)C3=O)s2)cc1Cl ZINC000927218401 664705883 /nfs/dbraw/zinc/70/58/83/664705883.db2.gz AMOVXEBTVZMOBU-AWEZNQCLSA-N 1 0 378.885 2.682 20 0 GFADRO [NH3+][C@H]1CN(C(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)CC[C@H]1C(F)(F)F ZINC000927846994 664716660 /nfs/dbraw/zinc/71/66/60/664716660.db2.gz DUSZWVAMVZHKPQ-KCJUWKMLSA-N 1 0 384.185 2.670 20 0 GFADRO C[C@H]1CN(C(=O)C(=O)Nc2cc(Cl)cc(C(F)(F)F)c2)CC[C@H]1C[NH3+] ZINC000927889134 664717367 /nfs/dbraw/zinc/71/73/67/664717367.db2.gz BIDRLVUDFDRUMO-UWVGGRQHSA-N 1 0 377.794 2.741 20 0 GFADRO Cc1ccc(-c2csc(NC(=O)C(=O)N3CC[C@H](C[NH3+])[C@H](C)C3)n2)s1 ZINC000927889151 664717411 /nfs/dbraw/zinc/71/74/11/664717411.db2.gz BQKCSSUMUAGTJT-ZYHUDNBSSA-N 1 0 378.523 2.562 20 0 GFADRO CC1([NH+]2CCCC2)CCC(NC(=O)c2cc(N)nc(Br)c2)CC1 ZINC000928007917 664719737 /nfs/dbraw/zinc/71/97/37/664719737.db2.gz ZJBXMHIECLFARE-UHFFFAOYSA-N 1 0 381.318 2.953 20 0 GFADRO CCOC(=O)[C@@H](c1nc(Br)sc1C)N1CCC([NH+](C)C)CC1 ZINC000929259529 664749045 /nfs/dbraw/zinc/74/90/45/664749045.db2.gz FZULNXJQCGUSPL-CYBMUJFWSA-N 1 0 390.347 2.844 20 0 GFADRO C[NH+]1CCN(CCCNC(=O)C/C=C/c2ccc(Br)cc2)CC1 ZINC000929424476 664752195 /nfs/dbraw/zinc/75/21/95/664752195.db2.gz KDJKNVSFDXSOKC-DUXPYHPUSA-N 1 0 380.330 2.606 20 0 GFADRO CC(C)(C)OC(=O)NC[C@H]1CC[N@H+](C[C@@](C)(O)C(F)(F)C(F)(F)F)C1 ZINC000929461346 664752838 /nfs/dbraw/zinc/75/28/38/664752838.db2.gz HYXXVAOJMZDOIH-ZWNOBZJWSA-N 1 0 376.366 2.782 20 0 GFADRO CCOC(=O)[C@@H](c1nc(Br)sc1C)N1CCC[C@@H]([NH+](C)C)C1 ZINC000929486107 664753183 /nfs/dbraw/zinc/75/31/83/664753183.db2.gz ATIYDBGDXQCHAX-DGCLKSJQSA-N 1 0 390.347 2.844 20 0 GFADRO O=C(C[C@@H]1C(=O)Nc2ccc(Br)cc21)NC1CC[NH+](C2CC2)CC1 ZINC000929619175 664754847 /nfs/dbraw/zinc/75/48/47/664754847.db2.gz KXWRNIZFVKJGDW-HNNXBMFYSA-N 1 0 392.297 2.618 20 0 GFADRO CC(C)(C)[N@@H+](Cc1ccccc1Br)CC1CN(S(C)(=O)=O)C1 ZINC000929836446 664758502 /nfs/dbraw/zinc/75/85/02/664758502.db2.gz XEQUINQNZITDKE-UHFFFAOYSA-N 1 0 389.359 2.941 20 0 GFADRO Brc1cccc(C2([NH2+]C[C@H]3CCC4(COC4)O3)CCOCC2)c1 ZINC000929895772 664759326 /nfs/dbraw/zinc/75/93/26/664759326.db2.gz VLCCBOLFGRCXLI-MRXNPFEDSA-N 1 0 382.298 2.992 20 0 GFADRO CCC[N@@H+]1CC[C@H](CNC(=O)N[C@](C)(CO)c2cccc(Br)c2)C1 ZINC000929923830 664759907 /nfs/dbraw/zinc/75/99/07/664759907.db2.gz UAAWUYGUMPAQSV-RDTXWAMCSA-N 1 0 398.345 2.688 20 0 GFADRO CCC[N@@H+]1CC[C@@H](CNC(=O)N[C@](C)(CO)c2cccc(Br)c2)C1 ZINC000929923824 664759935 /nfs/dbraw/zinc/75/99/35/664759935.db2.gz UAAWUYGUMPAQSV-KBXCAEBGSA-N 1 0 398.345 2.688 20 0 GFADRO O=C(Nc1ccc(-c2csnn2)cc1)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000929939878 664760050 /nfs/dbraw/zinc/76/00/50/664760050.db2.gz CJIUWMZUZOKLKT-HOCLYGCPSA-N 1 0 375.523 2.906 20 0 GFADRO COc1ccc(Br)c(NC(=O)NC[C@@H]2CC[N@@H+]2C2CCOCC2)c1 ZINC000930076817 664762319 /nfs/dbraw/zinc/76/23/19/664762319.db2.gz PTRVYUMIMZWCIK-ZDUSSCGKSA-N 1 0 398.301 2.833 20 0 GFADRO Cc1cc(CN2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)cnc1Br ZINC000930095882 664762735 /nfs/dbraw/zinc/76/27/35/664762735.db2.gz NSSAVLZYXNNFGK-JWTNVVGKSA-N 1 0 393.373 2.895 20 0 GFADRO C[C@H]([NH2+]C[C@@H]1C[C@@H]2COC[C@H]2O1)c1cc2c(cc1Br)OCCO2 ZINC000930208315 664764600 /nfs/dbraw/zinc/76/46/00/664764600.db2.gz MVVRMKXGWXLNCU-HBGPKNEHSA-N 1 0 384.270 2.675 20 0 GFADRO C[C@@H]1[C@@H](NC(=O)Nc2cc(F)c(F)cc2I)CC[N@@H+]1C ZINC000930256542 664765508 /nfs/dbraw/zinc/76/55/08/664765508.db2.gz PQOVZTNWSXTWBG-HQJQHLMTSA-N 1 0 395.191 2.784 20 0 GFADRO Cc1cc(Br)ncc1NC(=O)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000930320756 664766989 /nfs/dbraw/zinc/76/69/89/664766989.db2.gz SORGFRGWUMDSPV-AAEUAGOBSA-N 1 0 385.331 2.854 20 0 GFADRO CS(=O)(=O)[C@H]1CC[N@H+](CCCCOc2ccc(Br)cc2)C1 ZINC000930339126 664767522 /nfs/dbraw/zinc/76/75/22/664767522.db2.gz SVXJSPURHYCHQZ-HNNXBMFYSA-N 1 0 376.316 2.727 20 0 GFADRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)c1cc2ccc(Br)cc2c(=O)o1 ZINC000930367734 664768462 /nfs/dbraw/zinc/76/84/62/664768462.db2.gz FQQJTROIOHGKMC-NSHDSACASA-N 1 0 391.265 2.770 20 0 GFADRO C[N@@H+]1CC[C@H]1CNC(=O)Nc1cccc(Oc2ncc(Br)cn2)c1 ZINC000930447834 664770697 /nfs/dbraw/zinc/77/06/97/664770697.db2.gz IZFWAENJRNJOMT-ZDUSSCGKSA-N 1 0 392.257 2.857 20 0 GFADRO Cc1cc(CC(C)(C)[NH2+]C[C@@H](O)C2(O)CCOCC2)ccc1Br ZINC000930554691 664773165 /nfs/dbraw/zinc/77/31/65/664773165.db2.gz NLKGZPWYYDJMIP-MRXNPFEDSA-N 1 0 386.330 2.571 20 0 GFADRO CC1(C)Cc2c(cccc2Br)[C@@H]1[NH2+]C[C@@H](O)C[C@]1(O)CCOC1 ZINC000930553827 664773244 /nfs/dbraw/zinc/77/32/44/664773244.db2.gz YFKQBMDRPKPMPL-ULFGMLNVSA-N 1 0 384.314 2.565 20 0 GFADRO COCC(COC)[NH2+]C1(Cc2ccc(F)cc2Br)CCOCC1 ZINC000930571647 664773465 /nfs/dbraw/zinc/77/34/65/664773465.db2.gz LNEIPTNUAQONIZ-UHFFFAOYSA-N 1 0 390.293 2.931 20 0 GFADRO Cc1cc(Br)cc(NC(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)c1 ZINC000930945142 664781695 /nfs/dbraw/zinc/78/16/95/664781695.db2.gz SQEJWOPDQGQMSF-JKSUJKDBSA-N 1 0 382.302 2.820 20 0 GFADRO CN(CC[N@H+](C)C1CCCCC1)C(=O)c1cc(Br)cn2ncnc12 ZINC000930952680 664781974 /nfs/dbraw/zinc/78/19/74/664781974.db2.gz QDLAFJJDVIANFS-UHFFFAOYSA-N 1 0 394.317 2.828 20 0 GFADRO Nc1nc(Br)ccc1C[NH2+][C@@H](c1ccncc1)C1(CO)CCC1 ZINC000931080417 664784725 /nfs/dbraw/zinc/78/47/25/664784725.db2.gz ZCTIXWGTGXGTSV-HNNXBMFYSA-N 1 0 377.286 2.815 20 0 GFADRO C[NH+]1CCC(n2ccc(NC(=O)N3CCS[C@H](C(F)(F)F)C3)n2)CC1 ZINC000931126712 664786655 /nfs/dbraw/zinc/78/66/55/664786655.db2.gz KWTKQVFGLNKRAN-LBPRGKRZSA-N 1 0 377.436 2.661 20 0 GFADRO C[C@@H]1C[C@H](c2ccc(Br)cc2)C[N@@H+]1CC1CN(S(C)(=O)=O)C1 ZINC000931265155 664789753 /nfs/dbraw/zinc/78/97/53/664789753.db2.gz FPHLQANGGJWPSA-DOMZBBRYSA-N 1 0 387.343 2.518 20 0 GFADRO COc1cc(CN2CCC([N@@H+]3CCCOCC3)CC2)c(Br)cn1 ZINC000931284823 664790508 /nfs/dbraw/zinc/79/05/08/664790508.db2.gz DDJCSSDVRIPJBA-UHFFFAOYSA-N 1 0 384.318 2.539 20 0 GFADRO C[N@@H+]1C[C@@]2(C)CN(CC(=O)Nc3ccc(Br)cc3F)C[C@@]2(C)C1 ZINC000931306958 664791039 /nfs/dbraw/zinc/79/10/39/664791039.db2.gz DECSIUSAZDSVOT-CALCHBBNSA-N 1 0 384.293 2.800 20 0 GFADRO O[C@H](CCC1(O)CCC1)C[N@@H+]1CC[C@@H](O)[C@H]1c1ccc(Br)cc1 ZINC000931332698 664792121 /nfs/dbraw/zinc/79/21/21/664792121.db2.gz RIQUEOGPXUYOES-BRWVUGGUSA-N 1 0 384.314 2.613 20 0 GFADRO C[NH+](C)C1(C)CCN(CCS(=O)(=O)c2cccc(Br)c2)CC1 ZINC000931351933 664792318 /nfs/dbraw/zinc/79/23/18/664792318.db2.gz YRNGIQQENPVLLO-UHFFFAOYSA-N 1 0 389.359 2.639 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(Cc3nc(-c4cccc(Br)c4)no3)C[C@@H]2C1 ZINC000931431280 664794716 /nfs/dbraw/zinc/79/47/16/664794716.db2.gz WAXFQUAJRYEITK-KGLIPLIRSA-N 1 0 377.286 2.883 20 0 GFADRO CN(Cc1cc(Br)cs1)C(=O)CN1CCc2[nH+]ccc(N)c2C1 ZINC000931511597 664796946 /nfs/dbraw/zinc/79/69/46/664796946.db2.gz BFMUBDGZKXVIBW-UHFFFAOYSA-N 1 0 395.326 2.505 20 0 GFADRO CCOC(=O)c1nc(NC(=O)NC2CC[NH+](C)CC2)sc1C(F)(F)F ZINC000931589182 664800033 /nfs/dbraw/zinc/80/00/33/664800033.db2.gz KFISIIRDOFWQPY-UHFFFAOYSA-N 1 0 380.392 2.554 20 0 GFADRO Cc1ncc(Br)cc1NC(=O)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000931643558 664801383 /nfs/dbraw/zinc/80/13/83/664801383.db2.gz QSNAWGDYWVZGQL-CQSZACIVSA-N 1 0 383.290 2.527 20 0 GFADRO O=C(c1cc(Br)c2nccnc2c1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000931651323 664801797 /nfs/dbraw/zinc/80/17/97/664801797.db2.gz PKUXYXXGNWAMTP-ZDUSSCGKSA-N 1 0 375.270 2.703 20 0 GFADRO CC[C@](O)(C[NH+]1CCC(Cc2ncc(C(=O)OC)s2)CC1)C(F)(F)F ZINC000931683805 664802610 /nfs/dbraw/zinc/80/26/10/664802610.db2.gz BBIWZORIAUVCBA-HNNXBMFYSA-N 1 0 380.432 2.888 20 0 GFADRO CS(C)(=O)=Nc1cccc(NC(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@@H]23)c1 ZINC000931716319 664803377 /nfs/dbraw/zinc/80/33/77/664803377.db2.gz JGUUJKSKHCPEAL-CVEARBPZSA-N 1 0 382.555 2.747 20 0 GFADRO C[NH+](C)C[C@H]1CCCCN1C(=O)C[C@H]1C(=O)Nc2ccc(Br)cc21 ZINC000931905053 664807153 /nfs/dbraw/zinc/80/71/53/664807153.db2.gz AVSGBRGYLGSRLY-UKRRQHHQSA-N 1 0 394.313 2.818 20 0 GFADRO O=C(CC[N@@H+]1CC[C@H](C2OCCO2)C1)Nc1ccc(Br)cc1F ZINC000932010440 664808786 /nfs/dbraw/zinc/80/87/86/664808786.db2.gz PVEGXKQTFDILJX-NSHDSACASA-N 1 0 387.249 2.612 20 0 GFADRO O=C(CC[N@@H+]1CC[C@@H](C2OCCO2)C1)Nc1ccc(Br)cc1F ZINC000932010438 664808801 /nfs/dbraw/zinc/80/88/01/664808801.db2.gz PVEGXKQTFDILJX-LLVKDONJSA-N 1 0 387.249 2.612 20 0 GFADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)C/C=C/c1ccc(Br)cc1 ZINC000932185964 664812558 /nfs/dbraw/zinc/81/25/58/664812558.db2.gz IZPIRLGMNXGHBT-BWPKMQGJSA-N 1 0 380.330 2.605 20 0 GFADRO Cc1c(Br)ccc(F)c1C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000932620667 664830219 /nfs/dbraw/zinc/83/02/19/664830219.db2.gz AWAJFIQVSRDDHN-ZDUSSCGKSA-N 1 0 398.320 2.795 20 0 GFADRO COC1CC[NH+](CCNC(=O)Nc2cnc(C)c(Br)c2C)CC1 ZINC000932779296 664837634 /nfs/dbraw/zinc/83/76/34/664837634.db2.gz MZNQJGBXAUOGFI-UHFFFAOYSA-N 1 0 385.306 2.693 20 0 GFADRO O=C1CC[C@@H](C[N@H+]2CCC[C@](O)(c3ccc(Br)cc3)C2)CCN1 ZINC000932815766 664839876 /nfs/dbraw/zinc/83/98/76/664839876.db2.gz QJSNLFPEOZLZRE-RDTXWAMCSA-N 1 0 381.314 2.649 20 0 GFADRO O=C1NC[C@H](O)CC12CC[NH+](Cc1ccc(Br)cc1Cl)CC2 ZINC000932831236 664841245 /nfs/dbraw/zinc/84/12/45/664841245.db2.gz JDXHOSZMYNPWPQ-CYBMUJFWSA-N 1 0 387.705 2.566 20 0 GFADRO Cc1c(Br)ccc(F)c1C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000932915014 664842775 /nfs/dbraw/zinc/84/27/75/664842775.db2.gz ZLJSNNKNSHTBOP-CQSZACIVSA-N 1 0 398.320 2.749 20 0 GFADRO C[NH+](C)CCN(Cc1ccsc1)C(=O)N[C@@H]([C@@H]1CCOC1)C(F)(F)F ZINC000932993953 664846331 /nfs/dbraw/zinc/84/63/31/664846331.db2.gz OMQSFLBZZHWFLB-KGLIPLIRSA-N 1 0 379.448 2.789 20 0 GFADRO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)c1cc(Br)c2nccnc2c1 ZINC000933292478 664855346 /nfs/dbraw/zinc/85/53/46/664855346.db2.gz AINUKWMZACXKEI-OAHLLOKOSA-N 1 0 377.286 2.805 20 0 GFADRO O=C(c1ncc(Br)cn1)N(CC[NH+]1CCCC1)c1ccccc1 ZINC000933341030 664860166 /nfs/dbraw/zinc/86/01/66/664860166.db2.gz AQIZVDCHNABRFS-UHFFFAOYSA-N 1 0 375.270 2.982 20 0 GFADRO C[NH+]1CCC(OCC(=O)NCC2(c3ccccc3Br)CC2)CC1 ZINC000933410934 664862828 /nfs/dbraw/zinc/86/28/28/664862828.db2.gz JMZCWLFHMLVKTC-UHFFFAOYSA-N 1 0 381.314 2.708 20 0 GFADRO COc1ccc(C[C@](C)(CO)[NH2+]Cc2ccc(Br)nc2N)cc1 ZINC000933434096 664863822 /nfs/dbraw/zinc/86/38/22/664863822.db2.gz YIVBCYCLZGJVSA-QGZVFWFLSA-N 1 0 380.286 2.518 20 0 GFADRO C[C@@](CO)(Cc1ccc(Br)cc1)[NH2+]C[C@H](O)COCc1ccco1 ZINC000933437893 664864046 /nfs/dbraw/zinc/86/40/46/664864046.db2.gz QXSPFQTUBYTNTF-WMZOPIPTSA-N 1 0 398.297 2.503 20 0 GFADRO C[C@@](CO)(Cc1ccc(Br)cc1)[NH2+]C[C@H]1CC2(CO1)CCOCC2 ZINC000933440245 664864426 /nfs/dbraw/zinc/86/44/26/664864426.db2.gz KANMCKVZKJXSSH-MSOLQXFVSA-N 1 0 398.341 2.918 20 0 GFADRO O=C1NCCN1CC1CC[NH+](CCOc2ccc(Br)cc2)CC1 ZINC000933589912 664869971 /nfs/dbraw/zinc/86/99/71/664869971.db2.gz ISVWHIHEORCKDU-UHFFFAOYSA-N 1 0 382.302 2.565 20 0 GFADRO Cn1cc(Br)c(C(=O)NC2CC[NH+](C3CCCCC3)CC2)cc1=O ZINC000934020834 664887418 /nfs/dbraw/zinc/88/74/18/664887418.db2.gz HPRRUTGOCPBGNM-UHFFFAOYSA-N 1 0 396.329 2.675 20 0 GFADRO Cn1cc(Br)c(C(=O)Nc2ccc(C[NH+](C)C)c(F)c2)cc1=O ZINC000934133941 664890417 /nfs/dbraw/zinc/89/04/17/664890417.db2.gz QQOYVVREKHZRJD-UHFFFAOYSA-N 1 0 382.233 2.601 20 0 GFADRO C[N@H+](CCNC(=O)c1cc(=O)[nH]cc1Br)Cc1ccc(F)cc1 ZINC000934162530 664891165 /nfs/dbraw/zinc/89/11/65/664891165.db2.gz MPRNKTJKPXAWSZ-UHFFFAOYSA-N 1 0 382.233 2.551 20 0 GFADRO O=S(=O)(c1ccc(CN2CC[C@@H](Cc3nccs3)C2)o1)N1CCCC1 ZINC000934332265 664899724 /nfs/dbraw/zinc/89/97/24/664899724.db2.gz FEDVYDZZRZPBBR-AWEZNQCLSA-N 1 0 381.523 2.585 20 0 GFADRO O[C@@H](C[NH2+][C@@H]1CCOC12CCOCC2)COc1ccc(Cl)c(Cl)c1 ZINC000934411418 664906433 /nfs/dbraw/zinc/90/64/33/664906433.db2.gz YYFNIYKKTZWLPB-BLLLJJGKSA-N 1 0 376.280 2.661 20 0 GFADRO C[C@](CO)([NH2+]C[C@H]1CC2(CO1)CCOCC2)c1cccc(Br)c1 ZINC000934494443 664908626 /nfs/dbraw/zinc/90/86/26/664908626.db2.gz INFIELGKJZDIJM-IAGOWNOFSA-N 1 0 384.314 2.832 20 0 GFADRO CN(C)[S@@](C)(=O)=NCC1CC[NH+](CCCCC(=O)OC(C)(C)C)CC1 ZINC000934748400 664918134 /nfs/dbraw/zinc/91/81/34/664918134.db2.gz DSTAKUXISOGDBY-VWLOTQADSA-N 1 0 375.579 2.785 20 0 GFADRO CCOC(=O)CC(C)(C)CC[NH+]1CCC(CN=[S@](C)(=O)N(C)C)CC1 ZINC000934753350 664918876 /nfs/dbraw/zinc/91/88/76/664918876.db2.gz WDVXTWHMBKWWKZ-VWLOTQADSA-N 1 0 375.579 2.642 20 0 GFADRO CN(C)[S@](C)(=O)=NCC1CC[NH+](Cc2ccc(C(F)(F)F)cn2)CC1 ZINC000934753397 664918977 /nfs/dbraw/zinc/91/89/77/664918977.db2.gz XDUSNXXQQKOQPF-RUZDIDTESA-N 1 0 378.464 2.887 20 0 GFADRO Cc1cnccc1CC[NH2+][C@H](CO)c1ccccc1I ZINC000934826840 664924737 /nfs/dbraw/zinc/92/47/37/664924737.db2.gz OMMQWNFFCMAMTF-MRXNPFEDSA-N 1 0 382.245 2.860 20 0 GFADRO OCCCCCCC[NH2+][C@H](CO)c1ccccc1I ZINC000934829243 664926077 /nfs/dbraw/zinc/92/60/77/664926077.db2.gz LWXPEHBAHLWBCB-OAHLLOKOSA-N 1 0 377.266 2.857 20 0 GFADRO C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)c1cc2ccc(Br)cc2c(=O)o1 ZINC000935214296 664946271 /nfs/dbraw/zinc/94/62/71/664946271.db2.gz QNBLZPGGCAJDMN-QWRGUYRKSA-N 1 0 379.254 2.720 20 0 GFADRO CS[C@H]1CN(C(=O)Cc2c[nH]c3cnc(Cl)cc23)C[C@@H]1[NH+]1CCCC1 ZINC000935365791 664956748 /nfs/dbraw/zinc/95/67/48/664956748.db2.gz BFSZMYHDQJFOPO-HOTGVXAUSA-N 1 0 378.929 2.797 20 0 GFADRO C[NH+](C)[C@H]1CCCN(C(=O)[C@](C)(O)c2ccc(F)c(Br)c2)CC1 ZINC000935650763 664977585 /nfs/dbraw/zinc/97/75/85/664977585.db2.gz YDSQJIAJTPNXLQ-SUMWQHHRSA-N 1 0 387.293 2.738 20 0 GFADRO C[C@@H]1C[N@H+](CCCNC(=O)c2ncc(C(F)(F)F)cc2Cl)CCCO1 ZINC000935660032 664979322 /nfs/dbraw/zinc/97/93/22/664979322.db2.gz ZQXOTGCMHTWGNA-LLVKDONJSA-N 1 0 379.810 2.985 20 0 GFADRO CC(C)(C)[NH2+]CCC(=O)NCc1noc(-c2cccc(Br)c2)n1 ZINC000935729776 664984644 /nfs/dbraw/zinc/98/46/44/664984644.db2.gz QLLFRUIYYWDIME-UHFFFAOYSA-N 1 0 381.274 2.894 20 0 GFADRO COc1cc(Br)cc(C(=O)N2CCC[C@@H]([NH+]3CCOCC3)CC2)c1 ZINC000935811360 664990169 /nfs/dbraw/zinc/99/01/69/664990169.db2.gz CNOUBJSCLTWVJP-MRXNPFEDSA-N 1 0 397.313 2.785 20 0 GFADRO C[NH+](C)CCOc1ccc(CCC(=O)NCC(F)(F)Br)cc1 ZINC000935972299 665001877 /nfs/dbraw/zinc/00/18/77/665001877.db2.gz KWPOJJZYQLQPIS-UHFFFAOYSA-N 1 0 379.245 2.664 20 0 GFADRO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(C(=O)c3cc(Cl)cs3)C[C@H]2C)CC[N@@H+]1C ZINC000949001235 665009811 /nfs/dbraw/zinc/00/98/11/665009811.db2.gz KSGYHVQJFUTMRL-FAAHXZRKSA-N 1 0 383.945 2.709 20 0 GFADRO C[C@@H]1[C@H](C(=O)NC[C@@H]2CN(C(=O)c3ccc(Cl)s3)C[C@H]2C)CC[N@@H+]1C ZINC000994085915 665022792 /nfs/dbraw/zinc/02/27/92/665022792.db2.gz UNMSVPTZBIDMFF-AAVRWANBSA-N 1 0 383.945 2.566 20 0 GFADRO Cc1csc(Cl)c1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[N@H+]1C)C2 ZINC000995912768 665026795 /nfs/dbraw/zinc/02/67/95/665026795.db2.gz HVZVZMJKYVRDLT-ZOBORPQBSA-N 1 0 381.929 2.666 20 0 GFADRO C[N@@H+]1CCCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(Cl)cs1)C2 ZINC000996383597 665030476 /nfs/dbraw/zinc/03/04/76/665030476.db2.gz NQUQNZVSAIJNMI-QPSCCSFWSA-N 1 0 381.929 2.748 20 0 GFADRO C[N@@H+]1CC[C@@H](CC(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2sccc2Cl)C3)C1 ZINC000997297442 665034787 /nfs/dbraw/zinc/03/47/87/665034787.db2.gz AORDZZIBZWEWSW-NEBZKDRISA-N 1 0 381.929 2.605 20 0 GFADRO O=C([C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)N1CCC(C[NH2+]Cc2ncc(Cl)s2)CC1 ZINC000997930565 665038174 /nfs/dbraw/zinc/03/81/74/665038174.db2.gz OCYVUKDXSKJORV-RBUCKAEESA-N 1 0 381.929 2.548 20 0 GFADRO C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2ccc(Cl)s2)C1 ZINC001004359759 665064011 /nfs/dbraw/zinc/06/40/11/665064011.db2.gz JMLUZFBGIPJZQM-DGAVXFQQSA-N 1 0 381.929 2.605 20 0 GFADRO C[NH+](C)CCCNC(=S)NC[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000139066559 677401296 /nfs/dbraw/zinc/40/12/96/677401296.db2.gz BDFPUTMWRZVSNZ-AWEZNQCLSA-N 1 0 399.402 2.691 20 0 GFADRO C[C@@H](CNC(=S)Nc1cccc(Br)c1)C[NH+]1CCN(C)CC1 ZINC000145264967 677402341 /nfs/dbraw/zinc/40/23/41/677402341.db2.gz LLGPCNQYPLLHRH-ZDUSSCGKSA-N 1 0 385.375 2.619 20 0 GFADRO Cc1cc(Br)ccc1CNC(=O)N[C@H](C)CC[NH+]1CCN(C)CC1 ZINC000185698821 677404724 /nfs/dbraw/zinc/40/47/24/677404724.db2.gz VKSMVDQDMIGPKK-OAHLLOKOSA-N 1 0 397.361 2.583 20 0 GFADRO C[C@@H](C[NH+]1CCCCC1)Nc1cnn(CC(F)(F)F)c(=O)c1Br ZINC000391491934 677409381 /nfs/dbraw/zinc/40/93/81/677409381.db2.gz BHELUILWZLVMTE-JTQLQIEISA-N 1 0 397.239 2.854 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C3=Cc4cc(Br)ccc4OC3)C[C@@H]21 ZINC000579581634 677673425 /nfs/dbraw/zinc/67/34/25/677673425.db2.gz OUSSQIIFKVHVLY-XFBWCDHKSA-N 1 0 377.282 2.811 20 0 GFADRO O=C(c1ccc(Br)cc1)N1CCC(n2ncc3c2C[NH2+]C3)CC1 ZINC000579581312 677673462 /nfs/dbraw/zinc/67/34/62/677673462.db2.gz LLSBAYGRYOUPCK-UHFFFAOYSA-N 1 0 375.270 2.726 20 0 GFADRO C[C@@H](CNC(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1)c1c(Cl)cccc1Cl ZINC000579827228 677673624 /nfs/dbraw/zinc/67/36/24/677673624.db2.gz DJEKVEUTPZEEDI-RYUDHWBXSA-N 1 0 382.295 2.870 20 0 GFADRO CC[NH+]1C[C@@H](C)N(CC(=O)N(C)Cc2cc(Br)cs2)[C@H](C)C1 ZINC000580244747 677673977 /nfs/dbraw/zinc/67/39/77/677673977.db2.gz VDDSFIQUNOOVDS-CHWSQXEVSA-N 1 0 388.375 2.884 20 0 GFADRO CC(C)(C)OC(=O)NCCNC(=O)[C@H]1CCC[N@H+](C[C@@H]2CC2(Cl)Cl)C1 ZINC000747112998 677674486 /nfs/dbraw/zinc/67/44/86/677674486.db2.gz PLADAXFNYSKLCX-STQMWFEESA-N 1 0 394.343 2.533 20 0 GFADRO CC(C)(C)OC(=O)NCCNC(=O)[C@@H]1CCC[N@H+](C[C@H]2CC2(Cl)Cl)C1 ZINC000747112995 677674491 /nfs/dbraw/zinc/67/44/91/677674491.db2.gz PLADAXFNYSKLCX-CHWSQXEVSA-N 1 0 394.343 2.533 20 0 GFADRO O=C1CN(C(F)(F)c2cc(Cl)nc3c2CCCCC3)CC2(CC[NH2+]CC2)N1 ZINC001164390689 718809929 /nfs/dbraw/zinc/80/99/29/718809929.db2.gz CRAKRRBJZUOTGV-UHFFFAOYSA-N 1 0 398.885 2.607 20 0 GFADRO FC(F)(c1cc(-c2ccccc2)nnc1Cl)N1CC[C@@H]2[NH2+]CCO[C@@H]2C1 ZINC001164389874 718824797 /nfs/dbraw/zinc/82/47/97/718824797.db2.gz KFJQGQZGGUFJEF-GOEBONIOSA-N 1 0 380.826 2.909 20 0 GFADRO FC(F)(c1ccnc(Cl)c1Cl)N1CCCO[C@]2(C[NH2+]CCOC2)C1 ZINC001164421034 718913463 /nfs/dbraw/zinc/91/34/63/718913463.db2.gz NXWQEALGHIMFJY-CQSZACIVSA-N 1 0 382.238 2.519 20 0 GFADRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(F)(F)c1ccc(SC)c(Cl)n1 ZINC001164617764 719015631 /nfs/dbraw/zinc/01/56/31/719015631.db2.gz PDMCDFJOFRFIEI-GARJFASQSA-N 1 0 391.871 2.732 20 0 GFADRO CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@@H]2N1C(F)(F)Oc1cc(Cl)nc(Cl)c1 ZINC001164615581 719018801 /nfs/dbraw/zinc/01/88/01/719018801.db2.gz IWHDWJPLUDCQRG-MIMYLULJSA-N 1 0 396.221 2.543 20 0 GFADRO CCOC(=O)C1CC[NH+](C2CCN(c3c(Cl)ncnc3CC)CC2)CC1 ZINC001164614508 719022924 /nfs/dbraw/zinc/02/29/24/719022924.db2.gz UBCOSBWEPLCQLX-UHFFFAOYSA-N 1 0 380.920 2.936 20 0 GFADRO CCOC(=O)C1CC[NH+](C2CCN(c3nc(OC)ccc3Cl)CC2)CC1 ZINC001164618404 719027270 /nfs/dbraw/zinc/02/72/70/719027270.db2.gz WKTBJGPLOOWBQY-UHFFFAOYSA-N 1 0 381.904 2.988 20 0 GFADRO COC(=O)[C@H]1C[NH2+]CCN1C(F)(F)c1cnc(Cl)c(-c2cccs2)c1 ZINC001164631035 719138765 /nfs/dbraw/zinc/13/87/65/719138765.db2.gz MQFOFHTVCXLMQS-GFCCVEGCSA-N 1 0 387.839 2.960 20 0 GFADRO Cc1noc([C@@H]2C[C@H]3CCN(c4cccc(OCC[NH+]5CCCC5)n4)C[C@@H]3O2)n1 ZINC001164654722 719300119 /nfs/dbraw/zinc/30/01/19/719300119.db2.gz RODFNAVXTICRIV-SQNIBIBYSA-N 1 0 399.495 2.604 20 0 GFADRO CC(C)C[NH+]1CCN(c2ccc(-c3ccc(N4CCOCC4)cc3)nn2)CC1 ZINC001164657451 719339150 /nfs/dbraw/zinc/33/91/50/719339150.db2.gz MOKNPNMKLSYBEW-UHFFFAOYSA-N 1 0 381.524 2.758 20 0 GFADRO COc1ccc(-c2nc3ccc(F)cc3c(N3C[C@H]4OCC[N@H+](C)[C@H]4C3)n2)cc1 ZINC001164668176 719382652 /nfs/dbraw/zinc/38/26/52/719382652.db2.gz QRSCCGRXELBXKL-VQTJNVASSA-N 1 0 394.450 2.964 20 0 GFADRO COc1ccc(-c2csc3ncnc(N4C[C@@H]5[C@H](C4)OCC[N@@H+]5C)c23)cc1 ZINC000329910460 719435981 /nfs/dbraw/zinc/43/59/81/719435981.db2.gz NHKPXQJOKHYXBS-SJORKVTESA-N 1 0 382.489 2.886 20 0 GFADRO CSCc1nc2sc3c(c2c(N2C[C@H]4OCC[N@H+](C)[C@H]4C2)n1)CCCC3 ZINC001164674365 719443326 /nfs/dbraw/zinc/44/33/26/719443326.db2.gz WLDXCSCZVDZBKN-UONOGXRCSA-N 1 0 390.578 2.952 20 0 GFADRO CCOc1ccc2ncnc(-n3nc(CN(C)C(C)C)c4c3C[NH2+]CC4)c2c1 ZINC001164684853 719625073 /nfs/dbraw/zinc/62/50/73/719625073.db2.gz YDCCQGXEQDFJFN-UHFFFAOYSA-N 1 0 380.496 2.700 20 0 GFADRO CC(C)N(C)Cc1nn(-c2ncnc3[nH]c4cc(F)ccc4c32)c2c1CC[NH2+]C2 ZINC001164680382 719651706 /nfs/dbraw/zinc/65/17/06/719651706.db2.gz GGFHZHPWVLJJEW-UHFFFAOYSA-N 1 0 393.470 2.922 20 0 GFADRO CNC(=O)C[N@@H+]1CCCC12CCN(C(F)(F)c1cc(Cl)ncc1F)CC2 ZINC001164687282 719718349 /nfs/dbraw/zinc/71/83/49/719718349.db2.gz VPXBKZYDLXFKTN-UHFFFAOYSA-N 1 0 390.837 2.600 20 0 GFADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1nc(Cl)nc3cc(C)ccc31)CC2 ZINC001164685667 719720564 /nfs/dbraw/zinc/72/05/64/719720564.db2.gz MVNOOVZIHGSUNS-UHFFFAOYSA-N 1 0 387.915 2.772 20 0 GFADRO CCc1nc(Cl)nc(Cl)c1N1CCC2(CCC[N@@H+]2CC(=O)NC)CC1 ZINC001164689315 719756947 /nfs/dbraw/zinc/75/69/47/719756947.db2.gz AOAIMORCYORLPS-UHFFFAOYSA-N 1 0 386.327 2.527 20 0 GFADRO CNC(=O)c1ccnc(N2CCC3(CCC[N@@H+]3Cc3csc(C)n3)CC2)c1 ZINC001164693505 719810884 /nfs/dbraw/zinc/81/08/84/719810884.db2.gz VRXULQHOVJBRKT-UHFFFAOYSA-N 1 0 385.537 2.841 20 0 GFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cc(C(=O)OC)cc(Cl)n1)C2 ZINC001164815391 720077156 /nfs/dbraw/zinc/07/71/56/720077156.db2.gz YXIMBMVFWYGZCU-OXQOHEQNSA-N 1 0 393.915 2.706 20 0 GFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cc(Cl)nc3nc[nH]c31)C2 ZINC001164812476 720107555 /nfs/dbraw/zinc/10/75/55/720107555.db2.gz OMXQSCRSMGBSEV-LIRRHRJNSA-N 1 0 375.904 2.796 20 0 GFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ncc3cc(OC)ccc3n1)C2 ZINC001164811598 720123800 /nfs/dbraw/zinc/12/38/00/720123800.db2.gz MUCPTFXOPCTABZ-GCJKJVERSA-N 1 0 382.508 2.823 20 0 GFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ncc(C)cc1/C=C\C(=O)OC)C2 ZINC001164818751 720150794 /nfs/dbraw/zinc/15/07/94/720150794.db2.gz UMPJKUYMDGVIBF-QDNDCFDWSA-N 1 0 399.535 2.761 20 0 GFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cc(N3CCCCC3)ncn1)C2 ZINC001164818704 720164364 /nfs/dbraw/zinc/16/43/64/720164364.db2.gz UGKSNNCBBFUUIC-DENIHFKCSA-N 1 0 385.556 2.652 20 0 GFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ncccc1-c1nc(C)no1)C2 ZINC001164817734 720171812 /nfs/dbraw/zinc/17/18/12/720171812.db2.gz PYRYMSAIIYEROZ-UWJYYQICSA-N 1 0 383.496 2.625 20 0 GFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ncnc3cccc(OC)c31)C2 ZINC001164813593 720172438 /nfs/dbraw/zinc/17/24/38/720172438.db2.gz CMKCJFXXSFIBIC-VGOFRKELSA-N 1 0 382.508 2.823 20 0 GFADRO Cn1nnc2c1CCN(c1nccc3ccsc31)[C@@H]2COCC[NH+]1CCCC1 ZINC001164717100 720175535 /nfs/dbraw/zinc/17/55/35/720175535.db2.gz KQHWIBMGFDIKCC-QGZVFWFLSA-N 1 0 398.536 2.641 20 0 GFADRO Cc1nc(Cl)nc(N2CCCn3c(=O)cc(C[N@@H+](C)C(C)C)nc3C2)c1C ZINC001164811507 720208480 /nfs/dbraw/zinc/20/84/80/720208480.db2.gz IYFNRQSIOGELHW-UHFFFAOYSA-N 1 0 390.919 2.554 20 0 GFADRO Cc1nc(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc2ccccc12 ZINC001164819988 720314322 /nfs/dbraw/zinc/31/43/22/720314322.db2.gz FWTZGRSZNPUVGK-LEWJYISDSA-N 1 0 393.535 2.850 20 0 GFADRO CC(=O)NC[C@H]1c2ncn(C(C)C)c2CCN1c1ccc(C[NH+]2CCCC2)cn1 ZINC001164724618 720316454 /nfs/dbraw/zinc/31/64/54/720316454.db2.gz SCZHUWRZMXGJFE-FQEVSTJZSA-N 1 0 396.539 2.695 20 0 GFADRO Cc1cccc2ncnc(N3CC[C@@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)c12 ZINC001164832909 720321208 /nfs/dbraw/zinc/32/12/08/720321208.db2.gz UTUPRIHTAIVHQO-WOJBJXKFSA-N 1 0 393.535 2.850 20 0 GFADRO Cc1c[nH]c2ncnc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cccn5)[N@H+]4C(C)C)C3)c12 ZINC001164839204 720505938 /nfs/dbraw/zinc/50/59/38/720505938.db2.gz SZBZEVVOEFCGBB-OKZBNKHCSA-N 1 0 379.512 2.841 20 0 GFADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ncnc4cccnc43)CC[C@@H]21 ZINC001164835795 720516976 /nfs/dbraw/zinc/51/69/76/720516976.db2.gz LKXICHBJECODRD-AOIWGVFYSA-N 1 0 377.496 2.599 20 0 GFADRO CC(C)n1ccc2c1ncnc2N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001164736286 720576761 /nfs/dbraw/zinc/57/67/61/720576761.db2.gz GVGJQUQKSVTVRU-UHFFFAOYSA-N 1 0 379.512 2.867 20 0 GFADRO CC(C)Oc1nccnc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164844120 720627012 /nfs/dbraw/zinc/62/70/12/720627012.db2.gz YUTLPAQGJAQNNU-CEXWTWQISA-N 1 0 384.528 2.838 20 0 GFADRO Cc1ccc(C(N)=O)c(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC001164840877 720710447 /nfs/dbraw/zinc/71/04/47/720710447.db2.gz RFZLCFGNFIKMJO-LJQANCHMSA-N 1 0 394.519 2.749 20 0 GFADRO c1ncn(C[C@@H]2C[C@@H]3CN(c4ncnc5ccccc54)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164748841 720812710 /nfs/dbraw/zinc/81/27/10/720812710.db2.gz RPEACWRVJLZAPR-LVCYWYKZSA-N 1 0 389.507 2.601 20 0 GFADRO c1ncn(C[C@@H]2C[C@@H]3CN(c4ccc5cccnc5n4)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164743306 720825479 /nfs/dbraw/zinc/82/54/79/720825479.db2.gz RZTLSSTXEVWGPQ-HSALFYBXSA-N 1 0 389.507 2.601 20 0 GFADRO COCC[N@@H+]1CCO[C@H]2CN(C(F)(F)c3cc(C)nc(Cl)c3)CC[C@@H]2C1 ZINC001164858299 720834634 /nfs/dbraw/zinc/83/46/34/720834634.db2.gz ZOWJIOLUWQICCB-ZBFHGGJFSA-N 1 0 389.874 2.762 20 0 GFADRO Cc1cc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc2[nH]ccc21 ZINC001164745194 720837964 /nfs/dbraw/zinc/83/79/64/720837964.db2.gz MOJSUWSUGBWZAT-CMKODMSKSA-N 1 0 391.523 2.842 20 0 GFADRO COCC[N@@H+]1CCO[C@H]2CN(c3nc(Cl)nc4c(F)cccc43)CC[C@@H]2C1 ZINC001164853731 720851052 /nfs/dbraw/zinc/85/10/52/720851052.db2.gz OTZYFZLIACGCDM-CJNGLKHVSA-N 1 0 394.878 2.596 20 0 GFADRO COCC[N@@H+]1CCO[C@@H]2CN(C(F)(F)c3cnc(Cl)c(F)c3)CC[C@H]2C1 ZINC001164857708 720851733 /nfs/dbraw/zinc/85/17/33/720851733.db2.gz YNIZLZATWVMDDO-SWLSCSKDSA-N 1 0 393.837 2.593 20 0 GFADRO Cc1cncc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164754054 720880778 /nfs/dbraw/zinc/88/07/78/720880778.db2.gz QUYONDVCKSMVAU-FYYLOGMGSA-N 1 0 393.535 2.935 20 0 GFADRO COCC[N@@H+]1CCO[C@@H]2CN(c3nc(C(C)C)nc(Cl)c3C)CC[C@H]2C1 ZINC001164855737 720886594 /nfs/dbraw/zinc/88/65/94/720886594.db2.gz HRRVVXVPUDUGGP-JKSUJKDBSA-N 1 0 382.936 2.735 20 0 GFADRO CC[C@H](C)c1nc2[nH]ccc2c(N2CC[C@@H]3C[N@H+](CCOC)CCO[C@H]3C2)n1 ZINC001164855849 720893280 /nfs/dbraw/zinc/89/32/80/720893280.db2.gz CTCKKWKZYKNSHN-JZXOWHBKSA-N 1 0 387.528 2.645 20 0 GFADRO C[NH+](C)CCNC(=O)c1noc2c1CN(c1cc(-c3ccccc3)ccn1)CC2 ZINC001164749477 720950594 /nfs/dbraw/zinc/95/05/94/720950594.db2.gz GTJORMVCBGQQJM-UHFFFAOYSA-N 1 0 391.475 2.591 20 0 GFADRO COCCn1ccc2c1ncnc2N1CCn2c(C[N@H+](C)C(C)C)cnc2[C@@H]1C ZINC001164864197 720969892 /nfs/dbraw/zinc/96/98/92/720969892.db2.gz ZIZRSMJNIHBGHS-INIZCTEOSA-N 1 0 397.527 2.696 20 0 GFADRO FC(F)(c1ccnc(Cl)n1)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164865889 721039869 /nfs/dbraw/zinc/03/98/69/721039869.db2.gz BHIVNTJRTUHFHB-HUUCEWRRSA-N 1 0 395.841 2.550 20 0 GFADRO FC(F)(c1cnc(Cl)nc1)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164870000 721061037 /nfs/dbraw/zinc/06/10/37/721061037.db2.gz VDPYQOHECGYJKL-CVEARBPZSA-N 1 0 395.841 2.550 20 0 GFADRO COc1ccc2cnc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)nc2c1 ZINC001164867920 721071389 /nfs/dbraw/zinc/07/13/89/721071389.db2.gz KYKNBROKDDCJRM-QUCCMNQESA-N 1 0 391.475 2.513 20 0 GFADRO c1coc(-c2cnc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)cn2)c1 ZINC001164864080 721077705 /nfs/dbraw/zinc/07/77/05/721077705.db2.gz DYLZEHIQLSZKCL-ZWKOTPCHSA-N 1 0 377.448 2.611 20 0 GFADRO Fc1cccc2c1ncnc2N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164866665 721079376 /nfs/dbraw/zinc/07/93/76/721079376.db2.gz UPXMXOUCLMSIDX-SJORKVTESA-N 1 0 379.439 2.644 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4cnc5cccc(Cl)c5n4)C[C@@H]3C2)cn1 ZINC001164771631 721094626 /nfs/dbraw/zinc/09/46/26/721094626.db2.gz SIULSZUICSVEDS-CVEARBPZSA-N 1 0 382.899 2.975 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4ncnc5[nH]c6ccccc6c54)C[C@@H]3C2)cn1 ZINC001164767244 721146447 /nfs/dbraw/zinc/14/64/47/721146447.db2.gz LYYSXNKJOWSGRT-SJORKVTESA-N 1 0 387.491 2.803 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(C(F)(F)c4cc(N)cc(Cl)n4)C[C@H]3C2)cn1 ZINC001164762725 721150811 /nfs/dbraw/zinc/15/08/11/721150811.db2.gz DJYYDGHCIYJQDN-ZIAGYGMSSA-N 1 0 396.873 2.554 20 0 GFADRO Cc1cc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)nc(-c2ccco2)n1 ZINC001164881165 721160361 /nfs/dbraw/zinc/16/03/61/721160361.db2.gz ZLPOAOJTAQDBLH-OALUTQOASA-N 1 0 391.475 2.920 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4ccc5nccc(Cl)c5n4)C[C@H]3C2)cn1 ZINC001164767774 721182906 /nfs/dbraw/zinc/18/29/06/721182906.db2.gz KNIFDMGOZAPAKU-HZPDHXFCSA-N 1 0 382.899 2.975 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4nc(C(C)(C)C)nc5[nH]ccc54)C[C@@H]3C2)cn1 ZINC001164766793 721183147 /nfs/dbraw/zinc/18/31/47/721183147.db2.gz JGJCDRGABWPNCO-SJORKVTESA-N 1 0 393.539 2.947 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4ccc5nccc(Cl)c5n4)C[C@@H]3C2)cn1 ZINC001164767769 721183492 /nfs/dbraw/zinc/18/34/92/721183492.db2.gz KNIFDMGOZAPAKU-CVEARBPZSA-N 1 0 382.899 2.975 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4nccnc4Oc4ccccc4)C[C@H]3C2)cn1 ZINC001164764969 721227214 /nfs/dbraw/zinc/22/72/14/721227214.db2.gz HIBJBNRRGTXPDW-RTBURBONSA-N 1 0 390.491 2.961 20 0 GFADRO FC(F)[C@](F)(COc1cncc(Cl)n1)N1CC2(C1)CC[N@H+](CC1CC1)C2 ZINC001164769832 721299830 /nfs/dbraw/zinc/29/98/30/721299830.db2.gz OGLVHKZWYGQRSK-KRWDZBQOSA-N 1 0 390.837 2.857 20 0 GFADRO C[NH+](C)Cc1ccnc(N2CCC3(C[C@H](Oc4ncccc4F)CO3)CC2)c1 ZINC001164777045 721326806 /nfs/dbraw/zinc/32/68/06/721326806.db2.gz KYRUJHHUJIYISQ-KRWDZBQOSA-N 1 0 386.471 2.884 20 0 GFADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4ncnc5ccc(F)cc54)C3)O2)CC1 ZINC001164893598 721388569 /nfs/dbraw/zinc/38/85/69/721388569.db2.gz VVPXYGBBTJEXLN-AVRDEDQJSA-N 1 0 399.514 2.534 20 0 GFADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4nc(Cl)ccc4F)C3)O2)CC1 ZINC001164886829 721394536 /nfs/dbraw/zinc/39/45/36/721394536.db2.gz GQHTVXGNIYVGSF-DNVCBOLYSA-N 1 0 382.911 2.640 20 0 GFADRO Cc1nc(N2CC[C@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)nc2ccccc12 ZINC001164883710 721405808 /nfs/dbraw/zinc/40/58/08/721405808.db2.gz BWXFZZCGCMPRKM-XXBNENTESA-N 1 0 395.551 2.704 20 0 GFADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncc(C)nc1C)CC2 ZINC001164786483 721450776 /nfs/dbraw/zinc/45/07/76/721450776.db2.gz MRUBLLSRPNAYBN-HXUWFJFHSA-N 1 0 388.556 2.827 20 0 GFADRO C[N@H+](Cc1ccc(N2C[C@@H]3COC[C@]3(COc3ncccc3F)C2)nc1)C1CC1 ZINC001164792734 721488123 /nfs/dbraw/zinc/48/81/23/721488123.db2.gz LELJJRHQSKWRNB-VGSWGCGISA-N 1 0 398.482 2.742 20 0 GFADRO C[N@H+](Cc1ccc(N2C[C@H]3COC[C@@]3(COc3ncccc3F)C2)nc1)C1CC1 ZINC001164792731 721488244 /nfs/dbraw/zinc/48/82/44/721488244.db2.gz LELJJRHQSKWRNB-HTAPYJJXSA-N 1 0 398.482 2.742 20 0 GFADRO Cn1cnc2ncnc(N3CCC4(CC([N@H+](C)Cc5ccncc5)C4)CC3)c21 ZINC001164791143 721492211 /nfs/dbraw/zinc/49/22/11/721492211.db2.gz BKCDIZJXKBOUTM-UHFFFAOYSA-N 1 0 377.496 2.639 20 0 GFADRO C[C@@H]1C(=O)Nc2ncnc(N3CCC4(CC([N@H+](C)Cc5ccncc5)C4)CC3)c21 ZINC001164791932 721496660 /nfs/dbraw/zinc/49/66/60/721496660.db2.gz FGFCJQNFRWEIHB-HNNXBMFYSA-N 1 0 392.507 2.808 20 0 GFADRO Fc1cccc(O[C@H]2C[C@@H]3CN(c4ccc(N5CCCCC5)nn4)CC[N@@H+]3C2)c1 ZINC001164899744 721509602 /nfs/dbraw/zinc/50/96/02/721509602.db2.gz MBVDSVVMJJUWOM-QUCCMNQESA-N 1 0 397.498 2.948 20 0 GFADRO Fc1cccc(O[C@H]2C[C@H]3CN(c4cc(-c5ncc[nH]5)ccn4)CC[N@@H+]3C2)c1 ZINC001164908124 721546296 /nfs/dbraw/zinc/54/62/96/721546296.db2.gz PBVNHSCULRBTGO-HKUYNNGSSA-N 1 0 379.439 2.953 20 0 GFADRO COc1cnc2c(c1)ncnc2N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164902644 721548321 /nfs/dbraw/zinc/54/83/21/721548321.db2.gz ATKBNVVEQDOZGQ-MAUKXSAKSA-N 1 0 395.438 2.514 20 0 GFADRO COc1ncc(Cl)c(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)n1 ZINC001164908644 721562473 /nfs/dbraw/zinc/56/24/73/721562473.db2.gz RITZMQUUOFCVHE-UKRRQHHQSA-N 1 0 378.835 2.620 20 0 GFADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2cc(Oc3ccccc3)ncn2)CC1 ZINC001165008038 721732796 /nfs/dbraw/zinc/73/27/96/721732796.db2.gz IWKORIPTFZRHKP-UHFFFAOYSA-N 1 0 395.507 2.792 20 0 GFADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2ncc3c(Cl)cccc3n2)CC1 ZINC001165010174 721739613 /nfs/dbraw/zinc/73/96/13/721739613.db2.gz DTBDMHAOKQLZGE-UHFFFAOYSA-N 1 0 387.915 2.806 20 0 GFADRO COc1cccc2c1ccnc2N1CCCC12CC[NH+](CC(=O)N(C)C)CC2 ZINC001165011399 721747051 /nfs/dbraw/zinc/74/70/51/721747051.db2.gz WEYPDSBSIDIGIF-UHFFFAOYSA-N 1 0 382.508 2.766 20 0 GFADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc(C(N)=O)c(Cl)cn3)C[C@@H]21 ZINC001165027194 721802881 /nfs/dbraw/zinc/80/28/81/721802881.db2.gz UDMRONLNYAJXDE-UCLAIMLFSA-N 1 0 399.926 2.966 20 0 GFADRO CCOC(=O)c1nccnc1N1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165025971 721811935 /nfs/dbraw/zinc/81/19/35/721811935.db2.gz ONYQQZWIUXJPGJ-YTQUADARSA-N 1 0 395.507 2.785 20 0 GFADRO COCc1ccc(N(C)C2CC[NH+](Cc3c(OC)cccc3OC)CC2)nn1 ZINC001165031127 721844738 /nfs/dbraw/zinc/84/47/38/721844738.db2.gz UHBHTHHYBSFDPM-UHFFFAOYSA-N 1 0 386.496 2.741 20 0 GFADRO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2C(F)(F)c1nc(Cl)cc(Cl)n1 ZINC001164931814 721851285 /nfs/dbraw/zinc/85/12/85/721851285.db2.gz WKKXPXBICYLVTQ-WDEREUQCSA-N 1 0 380.270 2.543 20 0 GFADRO C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2c1nc(Cl)cc(Cc2ccccc2)n1 ZINC001164926019 721873287 /nfs/dbraw/zinc/87/32/87/721873287.db2.gz PXEWFJIERDFAQH-MOPGFXCFSA-N 1 0 385.943 2.935 20 0 GFADRO C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2c1nc(Cl)cc(Cc2ccccc2)n1 ZINC001164926022 721873701 /nfs/dbraw/zinc/87/37/01/721873701.db2.gz PXEWFJIERDFAQH-RTBURBONSA-N 1 0 385.943 2.935 20 0 GFADRO CC[C@@H]1C(=O)N(C)c2cnc(N3CCC[C@H]([NH+](C)C)C3)nc2N1C1CCCC1 ZINC001165040309 721891195 /nfs/dbraw/zinc/89/11/95/721891195.db2.gz VJNFEEUHIQNVGD-DLBZAZTESA-N 1 0 386.544 2.511 20 0 GFADRO C[NH+](C)CC1CCN(c2ncc(C(=O)Nc3nncs3)cc2Cl)CC1 ZINC001165044873 721949845 /nfs/dbraw/zinc/94/98/45/721949845.db2.gz JQONYCGVEQZXQN-UHFFFAOYSA-N 1 0 380.905 2.617 20 0 GFADRO CCN(CC)S(=O)(=O)c1ccc(N2CCCC[C@H]2CC[NH+]2CCCC2)nc1 ZINC001165049574 721975493 /nfs/dbraw/zinc/97/54/93/721975493.db2.gz QIGOANWNXWZJQN-SFHVURJKSA-N 1 0 394.585 2.957 20 0 GFADRO CCOC(=O)c1cc(C)nc(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)n1 ZINC001164952563 722015245 /nfs/dbraw/zinc/01/52/45/722015245.db2.gz NQRZREALTWZERT-UHFFFAOYSA-N 1 0 395.507 2.849 20 0 GFADRO O=C(NCc1cccnc1)[C@@H]1C[C@]12CCN(c1ccc(C[NH+]3CCCC3)cn1)C2 ZINC001164963079 722034704 /nfs/dbraw/zinc/03/47/04/722034704.db2.gz ZRZSVEIKWIOQPZ-REWPJTCUSA-N 1 0 391.519 2.605 20 0 GFADRO Nc1cc(Cl)nc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)c1 ZINC001164964985 722054676 /nfs/dbraw/zinc/05/46/76/722054676.db2.gz ZPBJYOSVYNWGRM-UHFFFAOYSA-N 1 0 387.915 2.831 20 0 GFADRO c1cc(C[N@@H+]2CCOCC3(CCN(c4cnc5c(n4)CCCC5)CC3)C2)ccn1 ZINC001164960736 722061217 /nfs/dbraw/zinc/06/12/17/722061217.db2.gz JYBUKPFOZNXWDA-UHFFFAOYSA-N 1 0 393.535 2.869 20 0 GFADRO Clc1nc2cc[nH]c2c(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164983405 722098964 /nfs/dbraw/zinc/09/89/64/722098964.db2.gz PYLYPLDPMJUSCB-WBVHZDCISA-N 1 0 398.898 2.734 20 0 GFADRO Cc1nc(Cl)nc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c1C ZINC001164982859 722099409 /nfs/dbraw/zinc/09/94/09/722099409.db2.gz PNFMGMAWKJMHLB-ZWKOTPCHSA-N 1 0 387.915 2.869 20 0 GFADRO Fc1ccc(Cl)nc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164986079 722106761 /nfs/dbraw/zinc/10/67/61/722106761.db2.gz XWVZAZCJCSRGBB-WBVHZDCISA-N 1 0 376.863 2.996 20 0 GFADRO CC(C)(C)Oc1ccnc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164982481 722120614 /nfs/dbraw/zinc/12/06/14/722120614.db2.gz WRVOAKVLVHMNAY-MOPGFXCFSA-N 1 0 397.523 2.776 20 0 GFADRO CCCc1cc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)nc(C)n1 ZINC001164983340 722129840 /nfs/dbraw/zinc/12/98/40/722129840.db2.gz UKADRKMESVOGGE-FPOVZHCZSA-N 1 0 381.524 2.860 20 0 GFADRO CC(C)(C)c1ccc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)nn1 ZINC001164976117 722142398 /nfs/dbraw/zinc/14/23/98/722142398.db2.gz HFRALWHDUPFAKH-RBUKOAKNSA-N 1 0 381.524 2.896 20 0 GFADRO Cc1cc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)nc(C2CC2)n1 ZINC001164983323 722147401 /nfs/dbraw/zinc/14/74/01/722147401.db2.gz UDKRMKKRCCUUIB-PMACEKPBSA-N 1 0 379.508 2.785 20 0 GFADRO COc1ccnc(Cl)c1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164982068 722150949 /nfs/dbraw/zinc/15/09/49/722150949.db2.gz QXOVAIGSUNHWHA-AEFFLSMTSA-N 1 0 388.899 2.866 20 0 GFADRO CCOC(=O)Cc1ccc(N2CCC[C@@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)nn1 ZINC001164994882 722205046 /nfs/dbraw/zinc/20/50/46/722205046.db2.gz JEBYVZUQYBHIGV-JOCHJYFZSA-N 1 0 398.482 2.966 20 0 GFADRO C[NH+](C)CCOCc1ncn2c1CN(c1cc(Cl)nc(C3CC3)n1)CCC2 ZINC001164999604 722251170 /nfs/dbraw/zinc/25/11/70/722251170.db2.gz DPFBILLVSJDLNS-UHFFFAOYSA-N 1 0 390.919 2.692 20 0 GFADRO O=C(CN1CCC[C@H]([NH+]2CCCC2)C1)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000071952647 212133954 /nfs/dbraw/zinc/13/39/54/212133954.db2.gz PQOYTJDHKWRMGM-VQTJNVASSA-N 1 0 399.535 2.682 20 0 GFADRO O=C(N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)N1CCC2(CC1)OCCO2 ZINC000359995967 212130369 /nfs/dbraw/zinc/13/03/69/212130369.db2.gz FKPPVSWJOOMJLM-QHAWAJNXSA-N 1 0 399.535 2.836 20 0 GFADRO [NH3+][C@H](CC(=O)N1CCCN(C(=O)c2c[nH]c3ccccc23)CC1)c1ccccc1 ZINC000359998780 212131220 /nfs/dbraw/zinc/13/12/20/212131220.db2.gz XMTXAQPLQUMVHX-HXUWFJFHSA-N 1 0 390.487 2.933 20 0 GFADRO Cc1c[nH+]ccc1N1CCC(C(=O)N(C)C[C@H]2COc3ccccc3O2)CC1 ZINC000359883670 212122129 /nfs/dbraw/zinc/12/21/29/212122129.db2.gz XGPAOIACKDKOMB-SFHVURJKSA-N 1 0 381.476 2.905 20 0 GFADRO Cc1cc(S(=O)(=O)NCCNC2CC[NH+](C3CCCC3)CC2)c(C)s1 ZINC000359864717 212120503 /nfs/dbraw/zinc/12/05/03/212120503.db2.gz BRKDJCCDHHWEMG-UHFFFAOYSA-N 1 0 385.599 2.640 20 0 GFADRO CC1(C)CC(NC(=O)N2CCC(NC(=O)c3ccccc3)CC2)CC(C)(C)[NH2+]1 ZINC000026180097 212113373 /nfs/dbraw/zinc/11/33/73/212113373.db2.gz QQDWGYBESDHKEH-UHFFFAOYSA-N 1 0 386.540 2.900 20 0 GFADRO CC(C)N(C)C(=O)C1CC[NH+]([C@H](C)C(=O)N[C@H]2CCOc3ccccc32)CC1 ZINC000030978054 212109063 /nfs/dbraw/zinc/10/90/63/212109063.db2.gz SDFYKIHITCVGOF-APWZRJJASA-N 1 0 387.524 2.594 20 0 GFADRO COc1ccc([C@@H](C)C[NH2+]C[C@@H]2CC(=O)N(C)[C@H]2c2c(C)nn(C)c2C)cc1 ZINC000328621544 212085519 /nfs/dbraw/zinc/08/55/19/212085519.db2.gz HUHOQUPROMXEGO-VELBRHGASA-N 1 0 384.524 2.958 20 0 GFADRO CCCNC(=O)CC[NH2+]Cc1cc(Cl)ccc1I ZINC000405781443 563539626 /nfs/dbraw/zinc/53/96/26/563539626.db2.gz MLDQNPMEBIUEDA-UHFFFAOYSA-N 1 0 380.657 2.951 20 0 GFADRO CCOc1cc(C[NH2+][C@@H](C)CF)cc(Br)c1OCC(=O)N(C)C ZINC000288404695 563641712 /nfs/dbraw/zinc/64/17/12/563641712.db2.gz IHRCHSDVHBYEOE-NSHDSACASA-N 1 0 391.281 2.762 20 0 GFADRO CC[C@@H](COCC(F)(F)F)[NH2+][C@H](C)Cn1cc(Br)ccc1=O ZINC000414141355 563721168 /nfs/dbraw/zinc/72/11/68/563721168.db2.gz MEAOKUIPAYFNEJ-PWSUYJOCSA-N 1 0 385.224 2.946 20 0 GFADRO CN1CC[NH+](CCCCNC(=O)C2(c3ccc(Br)cc3)CC2)CC1 ZINC000041349688 551135116 /nfs/dbraw/zinc/13/51/16/551135116.db2.gz UIDCBCSTVPVTFD-UHFFFAOYSA-N 1 0 394.357 2.625 20 0 GFADRO CC(C)C[NH+]1CCN(C(=O)[C@H](C)NC(=O)c2cccc(Cl)c2Cl)CC1 ZINC000047774180 551153695 /nfs/dbraw/zinc/15/36/95/551153695.db2.gz APLOFEUJUMAQDD-ZDUSSCGKSA-N 1 0 386.323 2.912 20 0 GFADRO CC(C)(CNC(=O)C(=O)Nc1ccc(Br)cc1)[NH+]1CCCCC1 ZINC000048794382 551157447 /nfs/dbraw/zinc/15/74/47/551157447.db2.gz MDQNIEDVIUHSCL-UHFFFAOYSA-N 1 0 382.302 2.768 20 0 GFADRO O=C(NCc1ccc(Cl)s1)NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000049174367 551158045 /nfs/dbraw/zinc/15/80/45/551158045.db2.gz ZWJFMTKVIYAGHG-OAHLLOKOSA-N 1 0 379.913 2.620 20 0 GFADRO C[C@H](Cc1ccc(Br)cc1)NC(=O)NCCCC[NH+]1CCOCC1 ZINC000049365504 551158686 /nfs/dbraw/zinc/15/86/86/551158686.db2.gz ARJLNRSNCPFLLN-OAHLLOKOSA-N 1 0 398.345 2.792 20 0 GFADRO O=C(CSCc1ccc(Cl)cc1)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000052918061 551164731 /nfs/dbraw/zinc/16/47/31/551164731.db2.gz JZRQWOQUTKOUQR-UHFFFAOYSA-N 1 0 381.973 2.813 20 0 GFADRO O=C(CCc1nc(-c2cc(Br)cs2)no1)NCC[NH+]1CCCC1 ZINC000052984939 551165408 /nfs/dbraw/zinc/16/54/08/551165408.db2.gz DPGXJUNNECYAFL-UHFFFAOYSA-N 1 0 399.314 2.705 20 0 GFADRO COc1ccc(CCC(=O)N2CC[NH+](CC3CC3)CC2)cc1Br ZINC000055669069 551174352 /nfs/dbraw/zinc/17/43/52/551174352.db2.gz RDSZCNOBSNPJNP-UHFFFAOYSA-N 1 0 381.314 2.945 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)c1cnn(-c2ccc(Br)cc2)c1)C1CC1 ZINC000055720047 551174972 /nfs/dbraw/zinc/17/49/72/551174972.db2.gz ANQQHOUSKGMQRN-MRXNPFEDSA-N 1 0 377.286 2.705 20 0 GFADRO O=C(Cc1ccc(F)c(Br)c1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000056813973 551178056 /nfs/dbraw/zinc/17/80/56/551178056.db2.gz SOMAACFXOUEHEY-UHFFFAOYSA-N 1 0 399.304 2.702 20 0 GFADRO C[C@@H](CNC(=O)CCCOc1ccc(I)cc1)[NH+](C)C ZINC000056969305 551178874 /nfs/dbraw/zinc/17/88/74/551178874.db2.gz YHUVGXDLUVSXSC-LBPRGKRZSA-N 1 0 390.265 2.517 20 0 GFADRO O[C@H](C[NH2+]Cc1csc(Br)c1)COc1ccc2c(c1)OCO2 ZINC000067975943 551190917 /nfs/dbraw/zinc/19/09/17/551190917.db2.gz RAGJETGXJRKYJD-LLVKDONJSA-N 1 0 386.267 2.769 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)c(C)c1C[N@@H+](C)CC(C)(CO)CO ZINC000093502634 551194971 /nfs/dbraw/zinc/19/49/71/551194971.db2.gz JYCQZUOROQOJFI-UHFFFAOYSA-N 1 0 396.329 2.674 20 0 GFADRO Brc1ccc2c(c1)C=C(C[N@@H+]1CC[C@@H](CN3CCOCC3)C1)CO2 ZINC000093665050 551195663 /nfs/dbraw/zinc/19/56/63/551195663.db2.gz SBZSOPLDZDSIET-HNNXBMFYSA-N 1 0 393.325 2.879 20 0 GFADRO CC[N@@H+]1CCCC[C@@H]1C(=O)NCCCNC(=O)c1cccc(Br)c1 ZINC000104363323 551198291 /nfs/dbraw/zinc/19/82/91/551198291.db2.gz IJCRTFVEVIVQLR-MRXNPFEDSA-N 1 0 396.329 2.560 20 0 GFADRO CC[N@@H+]1CCCC[C@@H]1C(=O)NCC(=O)Nc1cc(Br)ccc1C ZINC000104352875 551198441 /nfs/dbraw/zinc/19/84/41/551198441.db2.gz MTLXVYVNBJQXBN-OAHLLOKOSA-N 1 0 382.302 2.687 20 0 GFADRO CCN1CC[NH+](CCCCNC(=O)NCc2ccc(Br)cc2)CC1 ZINC000106531933 551199928 /nfs/dbraw/zinc/19/99/28/551199928.db2.gz ZHKUZWGEYNMYKR-UHFFFAOYSA-N 1 0 397.361 2.666 20 0 GFADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)Nc1cccc(C2SCCS2)c1 ZINC000106580775 551200447 /nfs/dbraw/zinc/20/04/47/551200447.db2.gz DKJQXKCOLADEQX-AWEZNQCLSA-N 1 0 380.583 2.923 20 0 GFADRO COCCC[NH+]1CCC(NC(=O)NCc2ccc(Br)cc2)CC1 ZINC000106557262 551200459 /nfs/dbraw/zinc/20/04/59/551200459.db2.gz FUBIAYLJVGBTKO-UHFFFAOYSA-N 1 0 384.318 2.749 20 0 GFADRO O=C(CN1CCc2c(Br)cccc2C1)NC1CC[NH+](C2CC2)CC1 ZINC000121154541 551228319 /nfs/dbraw/zinc/22/83/19/551228319.db2.gz QEGYBPJHXZDTTM-UHFFFAOYSA-N 1 0 392.341 2.550 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)C(=O)Nc1cccc(Br)c1)c1ccccc1 ZINC000121154803 551228363 /nfs/dbraw/zinc/22/83/63/551228363.db2.gz DNOOIYWRKCZIKR-MRXNPFEDSA-N 1 0 390.281 2.807 20 0 GFADRO CC[C@H](CCc1ccc(Br)cc1)[NH2+]CCCNS(C)(=O)=O ZINC000121203609 551229670 /nfs/dbraw/zinc/22/96/70/551229670.db2.gz QNKCTZDLJWGWMI-OAHLLOKOSA-N 1 0 377.348 2.689 20 0 GFADRO C[NH2+]CCCNC(=O)c1ccccc1Sc1ccc(S(C)(=O)=O)cc1 ZINC000121433902 551234301 /nfs/dbraw/zinc/23/43/01/551234301.db2.gz BHZWIGUNGLXRHA-UHFFFAOYSA-N 1 0 378.519 2.581 20 0 GFADRO C[C@H]1CCC[N@@H+]1C1CCN(C(=O)C(=O)Nc2ccccc2Br)CC1 ZINC000121765069 551241697 /nfs/dbraw/zinc/24/16/97/551241697.db2.gz ALVYFKRRHMQCDW-ZDUSSCGKSA-N 1 0 394.313 2.863 20 0 GFADRO C[C@@H](CNC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl)C[NH+]1CCN(C)CC1 ZINC000121929312 551292459 /nfs/dbraw/zinc/29/24/59/551292459.db2.gz GZEHHPFTRPYAPP-KBPBESRZSA-N 1 0 388.339 2.760 20 0 GFADRO NC(=O)CC[N@H+](Cc1cnc2ccc(Br)cn12)Cc1ccccc1 ZINC000122079190 551294248 /nfs/dbraw/zinc/29/42/48/551294248.db2.gz VRPBQWHWFFCMDD-UHFFFAOYSA-N 1 0 387.281 2.974 20 0 GFADRO Cc1ccc(Br)c(NC(=O)C(=O)NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)c1 ZINC000123343022 551305526 /nfs/dbraw/zinc/30/55/26/551305526.db2.gz WGUOYAJDAFDDCK-UONOGXRCSA-N 1 0 396.329 2.933 20 0 GFADRO C[C@H]1C[NH+](CCCCNC(=O)COc2cccc(Br)c2)C[C@H](C)O1 ZINC000123590655 551307050 /nfs/dbraw/zinc/30/70/50/551307050.db2.gz ZVFOKMBNCGJOJU-GJZGRUSLSA-N 1 0 399.329 2.834 20 0 GFADRO O=C(N[C@@H]1CC[NH2+]C2(CCC2)C1)c1csc(I)c1 ZINC000124212328 551311802 /nfs/dbraw/zinc/31/18/02/551311802.db2.gz VMVSXDOUXSHKHW-SNVBAGLBSA-N 1 0 376.263 2.757 20 0 GFADRO CC[C@H](O)CC[NH2+]Cc1cc(I)c(OC)c(OC)c1 ZINC000124213083 551312085 /nfs/dbraw/zinc/31/20/85/551312085.db2.gz DEYYKRIZLHMWOI-NSHDSACASA-N 1 0 379.238 2.559 20 0 GFADRO Cc1ccc(C[N@@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)c(Br)c1 ZINC000124493201 551315348 /nfs/dbraw/zinc/31/53/48/551315348.db2.gz KUFOOTSJIMJWCS-INIZCTEOSA-N 1 0 381.314 2.828 20 0 GFADRO Cc1ccc(-n2nc(Br)cc2C(=O)NC[C@H]2CC[N@@H+](C)C2)cc1 ZINC000124672859 551316712 /nfs/dbraw/zinc/31/67/12/551316712.db2.gz GTWNEVSOWMPVIY-CYBMUJFWSA-N 1 0 377.286 2.625 20 0 GFADRO O=C(NCCc1cc(Br)ccc1F)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000125078760 551319592 /nfs/dbraw/zinc/31/95/92/551319592.db2.gz DIKONOVMTBLAFP-LBPRGKRZSA-N 1 0 384.293 2.914 20 0 GFADRO CC(C)(C)NC(=O)CNC(=O)CN1CCC[C@H]1c1ccccc1Br ZINC000126002395 551325545 /nfs/dbraw/zinc/32/55/45/551325545.db2.gz GOFGMXIIAQZEFZ-HNNXBMFYSA-N 1 0 396.329 2.617 20 0 GFADRO Oc1ccc(Br)c(CNC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)c1 ZINC000126434070 551329647 /nfs/dbraw/zinc/32/96/47/551329647.db2.gz LVNCEFSCTKDHPH-GOSISDBHSA-N 1 0 391.309 2.664 20 0 GFADRO C[C@H]([NH2+]C1CCN(S(C)(=O)=O)CC1)c1ccc(Br)cc1F ZINC000126735982 551332275 /nfs/dbraw/zinc/33/22/75/551332275.db2.gz AAFZHKSVEPDRRO-JTQLQIEISA-N 1 0 379.295 2.663 20 0 GFADRO CCC[N@H+](CC)CCNC(=O)c1ccnc(Cl)c1I ZINC000126972776 551335240 /nfs/dbraw/zinc/33/52/40/551335240.db2.gz JJHMBOOFFLFVCA-UHFFFAOYSA-N 1 0 395.672 2.801 20 0 GFADRO O=C(Nc1ccc(Br)nc1)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000127240722 551338815 /nfs/dbraw/zinc/33/88/15/551338815.db2.gz SKJWMUVAWMAUJM-HUUCEWRRSA-N 1 0 397.317 2.734 20 0 GFADRO CC(C)C[C@H](NC(=O)Nc1ccc(Br)cc1)C(=O)NCC[NH+](C)C ZINC000127337542 551340213 /nfs/dbraw/zinc/34/02/13/551340213.db2.gz QEVRJVXYTNZWBM-HNNXBMFYSA-N 1 0 399.333 2.663 20 0 GFADRO CC(C)C[C@H](NC(=O)Nc1ccccc1Br)C(=O)NCC[NH+](C)C ZINC000127334239 551340538 /nfs/dbraw/zinc/34/05/38/551340538.db2.gz YHGTVSGIDBORRK-HNNXBMFYSA-N 1 0 399.333 2.663 20 0 GFADRO Cc1cc(Br)ccc1C(=O)N[C@@H](CC(C)C)C(=O)NCC[NH+](C)C ZINC000128053097 551346111 /nfs/dbraw/zinc/34/61/11/551346111.db2.gz CIQFBBSHXGLNGK-INIZCTEOSA-N 1 0 398.345 2.580 20 0 GFADRO COC(=O)[C@H](c1cc(Cl)cc(Cl)c1)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000128798314 551352842 /nfs/dbraw/zinc/35/28/42/551352842.db2.gz VICOFFMAPYUPBN-DYVFJYSZSA-N 1 0 387.307 2.862 20 0 GFADRO C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000129267044 551355397 /nfs/dbraw/zinc/35/53/97/551355397.db2.gz PXCUKCNNRLIINP-ZIAGYGMSSA-N 1 0 386.323 2.975 20 0 GFADRO CC(C)CN(CC[NH+](C)C)C(=O)Cc1ccccc1I ZINC000129342383 551356392 /nfs/dbraw/zinc/35/63/92/551356392.db2.gz DRBQSOIZRGESBF-UHFFFAOYSA-N 1 0 388.293 2.880 20 0 GFADRO C[C@H]([NH2+]Cc1nc(-c2ccc(Br)cc2)c[nH]1)[C@H]1CN(C)CCO1 ZINC000129416610 551357195 /nfs/dbraw/zinc/35/71/95/551357195.db2.gz INQABIQODYNLGR-BLLLJJGKSA-N 1 0 379.302 2.648 20 0 GFADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(Cl)cc(Br)c1 ZINC000129445717 551357656 /nfs/dbraw/zinc/35/76/56/551357656.db2.gz CFILIEPYEUZONW-AWEZNQCLSA-N 1 0 375.694 2.943 20 0 GFADRO CS(=O)(=O)N1CCC([NH2+][C@H]2CCc3c2cc(Br)cc3F)CC1 ZINC000129681197 551358756 /nfs/dbraw/zinc/35/87/56/551358756.db2.gz AONGJBMKARCCAE-HNNXBMFYSA-N 1 0 391.306 2.589 20 0 GFADRO CC(C)(O)C[NH+]1CCN(CC2=Cc3cc(Br)ccc3OC2)CC1 ZINC000129998741 551360928 /nfs/dbraw/zinc/36/09/28/551360928.db2.gz NGAZVQJGYYNSNJ-UHFFFAOYSA-N 1 0 381.314 2.613 20 0 GFADRO Cc1ccc(Br)c(NC(=O)NCCN2CCC([NH+](C)C)CC2)c1 ZINC000130314629 551363052 /nfs/dbraw/zinc/36/30/52/551363052.db2.gz OWKCCRZFLVYCTL-UHFFFAOYSA-N 1 0 383.334 2.905 20 0 GFADRO Cc1cccc(I)c1C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000130431535 551364961 /nfs/dbraw/zinc/36/49/61/551364961.db2.gz ZQOJTONDIIHYKF-UHFFFAOYSA-N 1 0 398.248 2.610 20 0 GFADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)[C@H](C)Sc1nc2ccccc2s1 ZINC000130488566 551365269 /nfs/dbraw/zinc/36/52/69/551365269.db2.gz KNSDGEFCXGGPNL-KGLIPLIRSA-N 1 0 378.567 2.529 20 0 GFADRO CCN(C)C(=O)CC[NH+]1CCN([C@@H](C)c2ccc(Br)cc2)CC1 ZINC000130532932 551366092 /nfs/dbraw/zinc/36/60/92/551366092.db2.gz NTOKFKDDXRGAFB-HNNXBMFYSA-N 1 0 382.346 2.996 20 0 GFADRO C[C@@H](Oc1ccc(Br)cc1)C(=O)NCCCC[N@@H+]1CCC[C@@H]1CO ZINC000131475694 551374469 /nfs/dbraw/zinc/37/44/69/551374469.db2.gz HYGOSXPJMLOQDZ-GDBMZVCRSA-N 1 0 399.329 2.570 20 0 GFADRO C[NH+](C)CCCOC1CCN(C(=O)c2ccc(Br)c(O)c2)CC1 ZINC000133581631 551383912 /nfs/dbraw/zinc/38/39/12/551383912.db2.gz ZWCKHEOVVCMLKH-UHFFFAOYSA-N 1 0 385.302 2.728 20 0 GFADRO CN1CC[NH+](CC2CCN(C(=O)Nc3cccc(Br)c3)CC2)CC1 ZINC000140683939 551393383 /nfs/dbraw/zinc/39/33/83/551393383.db2.gz UDRVPJXVMLNZLJ-UHFFFAOYSA-N 1 0 395.345 2.940 20 0 GFADRO C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)Cc1ccc(Br)cc1 ZINC000150854098 551402374 /nfs/dbraw/zinc/40/23/74/551402374.db2.gz KCAQFRGONYIGSI-UHFFFAOYSA-N 1 0 390.281 2.791 20 0 GFADRO CCO[C@H](CC[NH+](C)C)CNS(=O)(=O)c1ccc(OC)c(Cl)c1Cl ZINC000150868574 551403121 /nfs/dbraw/zinc/40/31/21/551403121.db2.gz RFAHZOPTFMMTQT-LLVKDONJSA-N 1 0 399.340 2.637 20 0 GFADRO C[C@@H]1CCC[N@H+](CCCCNC(=O)c2cc(S(C)(=O)=O)ccc2Cl)C1 ZINC000151164708 551408445 /nfs/dbraw/zinc/40/84/45/551408445.db2.gz KVKHOTSWLVHKFJ-CQSZACIVSA-N 1 0 386.945 2.985 20 0 GFADRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1cc(S(C)(=O)=O)ccc1Cl ZINC000151312579 551411281 /nfs/dbraw/zinc/41/12/81/551411281.db2.gz KUUYFZKHVCDBHD-MGPQQGTHSA-N 1 0 386.945 2.840 20 0 GFADRO Clc1cc(C[NH2+]CCc2nccs2)ccc1OCCN1CCOCC1 ZINC000151548406 551415879 /nfs/dbraw/zinc/41/58/79/551415879.db2.gz RIAQLGGWIDKVTF-UHFFFAOYSA-N 1 0 381.929 2.840 20 0 GFADRO O=S(=O)(c1cccc(OC(F)(F)F)c1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000151647766 551418706 /nfs/dbraw/zinc/41/87/06/551418706.db2.gz QVVMCGPNEFIPPX-ZDUSSCGKSA-N 1 0 378.416 2.692 20 0 GFADRO C[C@@H]1Cc2cc(S(=O)(=O)N3CC[C@H](C[NH+]4CCCC4)C3)cc(Cl)c2O1 ZINC000151634255 551418745 /nfs/dbraw/zinc/41/87/45/551418745.db2.gz BOFBKBRKRBWFPB-ZIAGYGMSSA-N 1 0 384.929 2.770 20 0 GFADRO COc1cc([C@H](C)[NH2+][C@H](C)Cn2cc(Br)cn2)ccc1OCCO ZINC000151672855 551418926 /nfs/dbraw/zinc/41/89/26/551418926.db2.gz VSOQYJNQSBFASS-OLZOCXBDSA-N 1 0 398.301 2.765 20 0 GFADRO C[NH+](C)CC1CCC(NS(=O)(=O)c2ccc(F)cc2Br)CC1 ZINC000151756321 551420648 /nfs/dbraw/zinc/42/06/48/551420648.db2.gz JTVLKGRXOPAJGW-UHFFFAOYSA-N 1 0 393.322 2.987 20 0 GFADRO C[NH+](C)CCn1cc(NC(=O)Cc2c[nH]c3cccc(Br)c23)cn1 ZINC000151806356 551421566 /nfs/dbraw/zinc/42/15/66/551421566.db2.gz SBELIQYWRIFXQG-UHFFFAOYSA-N 1 0 390.285 2.870 20 0 GFADRO CC(C)(C[NH3+])NC(=O)c1ccc(Br)cc1I ZINC000151868402 551422252 /nfs/dbraw/zinc/42/22/52/551422252.db2.gz DETLGBPABLDZMZ-UHFFFAOYSA-N 1 0 397.054 2.521 20 0 GFADRO O=S(=O)(c1ccc(C[NH2+][C@H]2CCCc3sccc32)s1)N1CCOCC1 ZINC000152147552 551426634 /nfs/dbraw/zinc/42/66/34/551426634.db2.gz IRXJJUCRXMOLRI-HNNXBMFYSA-N 1 0 398.575 2.998 20 0 GFADRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(S(=O)(=O)N3CCOCC3)s2)s1 ZINC000152135339 551426997 /nfs/dbraw/zinc/42/69/97/551426997.db2.gz MSKJAFOJCDEQFG-CYBMUJFWSA-N 1 0 386.564 2.990 20 0 GFADRO COCCC[N@H+](C)CCNC(=O)c1cc2c(cc(Br)cc2F)[nH]1 ZINC000152389337 551432155 /nfs/dbraw/zinc/43/21/55/551432155.db2.gz COGUCIKVLCFNDZ-UHFFFAOYSA-N 1 0 386.265 2.768 20 0 GFADRO CC(C)n1cnc(S(=O)(=O)NCC2CC[NH+](Cc3cccs3)CC2)c1 ZINC000152440866 551433288 /nfs/dbraw/zinc/43/32/88/551433288.db2.gz UXXFPYTUNZQUBO-UHFFFAOYSA-N 1 0 382.555 2.716 20 0 GFADRO COCCCNC(=O)[C@H](C)[N@H+](C)CC1(c2ccc(Br)cc2)CC1 ZINC000152605040 551436423 /nfs/dbraw/zinc/43/64/23/551436423.db2.gz XFTPJMMTCFAUCZ-AWEZNQCLSA-N 1 0 383.330 2.954 20 0 GFADRO CN(C)S(=O)(=O)CCC[N@H+](C)CC1(c2ccc(Br)cc2)CC1 ZINC000152611373 551436490 /nfs/dbraw/zinc/43/64/90/551436490.db2.gz DJNIEZAVSKYZES-UHFFFAOYSA-N 1 0 389.359 2.694 20 0 GFADRO COc1ccc(OCCN(C)[C@H](C(N)=O)c2ccc(Br)cc2)cc1 ZINC000152658145 551437432 /nfs/dbraw/zinc/43/74/32/551437432.db2.gz PVHLWRIJHACZOO-KRWDZBQOSA-N 1 0 393.281 2.995 20 0 GFADRO O=C(NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1ccc(Br)cc1O ZINC000152842306 551441299 /nfs/dbraw/zinc/44/12/99/551441299.db2.gz XAEUUDQGSSDFTL-HOTGVXAUSA-N 1 0 397.313 2.652 20 0 GFADRO CC[C@H]([NH2+]C[C@H]1CCN(S(C)(=O)=O)C1)c1ccc(Br)cc1 ZINC000152894644 551442454 /nfs/dbraw/zinc/44/24/54/551442454.db2.gz JDDUEBUTALDALO-DOMZBBRYSA-N 1 0 375.332 2.771 20 0 GFADRO C[NH+](C)C[C@@](C)(O)CNC(=O)C1(c2cccc(Br)c2)CCCC1 ZINC000153142648 551447343 /nfs/dbraw/zinc/44/73/43/551447343.db2.gz OOSGXPOYQZYWGB-KRWDZBQOSA-N 1 0 383.330 2.690 20 0 GFADRO COCCC[C@@H]([NH2+]CC1(C(N)=O)CCOCC1)c1ccc(Br)cc1 ZINC000153143350 551447502 /nfs/dbraw/zinc/44/75/02/551447502.db2.gz RHOBCRUIFPSZJV-MRXNPFEDSA-N 1 0 399.329 2.789 20 0 GFADRO O=C(NCCCC[NH+]1CCOCC1)NC1(c2cccc(Br)c2)CC1 ZINC000153562309 551455607 /nfs/dbraw/zinc/45/56/07/551455607.db2.gz COJZGEIYLKROGO-UHFFFAOYSA-N 1 0 396.329 2.850 20 0 GFADRO C[C@H]1CCCC[N@@H+]1CCNC(=O)c1ccc(Br)cc1-n1cncn1 ZINC000153674001 551458197 /nfs/dbraw/zinc/45/81/97/551458197.db2.gz KHQIQFUSXPYZHQ-ZDUSSCGKSA-N 1 0 392.301 2.634 20 0 GFADRO COC[C@H](O)CC[NH2+]Cc1cc(Br)ccc1OCc1ccccn1 ZINC000153781450 551460378 /nfs/dbraw/zinc/46/03/78/551460378.db2.gz CYNQMVMZCAMSRF-QGZVFWFLSA-N 1 0 395.297 2.910 20 0 GFADRO CCN(Cc1cc(Br)cc2c1OCC2)[C@@H](C)CS(C)(=O)=O ZINC000153902975 551462713 /nfs/dbraw/zinc/46/27/13/551462713.db2.gz ABTLIYCLRDVAEB-NSHDSACASA-N 1 0 376.316 2.639 20 0 GFADRO Cc1c(C(=O)N2CC[C@H]([NH3+])C[C@H]2C)cnn1-c1ccc(Br)cc1 ZINC000154087714 551467565 /nfs/dbraw/zinc/46/75/65/551467565.db2.gz QTOZNFMJXUQXPP-RISCZKNCSA-N 1 0 377.286 2.895 20 0 GFADRO [NH3+]CC1(NC(=O)CCC[S@@](=O)c2ccc(Br)cc2)CCCC1 ZINC000154390040 551474105 /nfs/dbraw/zinc/47/41/05/551474105.db2.gz GQBMQMWMBMJWLX-QFIPXVFZSA-N 1 0 387.343 2.725 20 0 GFADRO CS[C@H](CO)[C@H](C)[NH2+][C@@H](C)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000154344816 551472873 /nfs/dbraw/zinc/47/28/73/551472873.db2.gz LGQIQBXYUTUBJW-RLFYNMQTSA-N 1 0 386.583 2.624 20 0 GFADRO C[N@@H+]1CC[C@@H](CNC(=O)c2ccc(Br)cc2Br)C1 ZINC000154356165 551473409 /nfs/dbraw/zinc/47/34/09/551473409.db2.gz PNRGYPUWGURAQZ-VIFPVBQESA-N 1 0 376.092 2.893 20 0 GFADRO CC(C)(C)[C@@H]([NH2+]Cc1ccnc(-c2ccc(Br)cc2)n1)C(N)=O ZINC000154525527 551477024 /nfs/dbraw/zinc/47/70/24/551477024.db2.gz DFUAISFCTWYOFQ-AWEZNQCLSA-N 1 0 377.286 2.896 20 0 GFADRO C[NH2+]C[C@H](C)CNC(=O)c1c(C)nn(Cc2cccc(Br)c2)c1C ZINC000154650659 551479966 /nfs/dbraw/zinc/47/99/66/551479966.db2.gz NFHHNESXEBNNHX-LBPRGKRZSA-N 1 0 393.329 2.896 20 0 GFADRO CC[N@@H+]1CCCN(C(=O)CNC(=O)c2sc3ccccc3c2Cl)CC1 ZINC000154873037 551484839 /nfs/dbraw/zinc/48/48/39/551484839.db2.gz UCYSXXDAHJYFLZ-UHFFFAOYSA-N 1 0 379.913 2.839 20 0 GFADRO C[C@@](C[NH3+])(NC(=O)c1nn(-c2ccc(F)cc2)cc1Br)C1CC1 ZINC000154936627 551486073 /nfs/dbraw/zinc/48/60/73/551486073.db2.gz ISWXDTWRBJLAFG-INIZCTEOSA-N 1 0 381.249 2.631 20 0 GFADRO NC(=O)N1CCC([NH2+]CC2(c3ccc(Br)cc3)CCOCC2)CC1 ZINC000155252365 551495679 /nfs/dbraw/zinc/49/56/79/551495679.db2.gz ADUAVNIQGJCVKR-UHFFFAOYSA-N 1 0 396.329 2.630 20 0 GFADRO CSC[C@@](C)(O)CNC(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000155288569 551496484 /nfs/dbraw/zinc/49/64/84/551496484.db2.gz CIJRXVAEXANOQT-QAPCUYQASA-N 1 0 385.599 2.934 20 0 GFADRO O=C(NCCC[NH+]1CCC(O)CC1)c1ccc(Br)c(Cl)c1 ZINC000155474152 551500222 /nfs/dbraw/zinc/50/02/22/551500222.db2.gz SELXEIPOBLYHCI-UHFFFAOYSA-N 1 0 375.694 2.679 20 0 GFADRO C[NH+]1CCC(N(CCO)CC2=Cc3cc(Br)ccc3OC2)CC1 ZINC000155506253 551501593 /nfs/dbraw/zinc/50/15/93/551501593.db2.gz DHANZDTYIWINBB-UHFFFAOYSA-N 1 0 381.314 2.613 20 0 GFADRO CCS(=O)(=O)c1ccc(Cl)c(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c1 ZINC000155728486 551506424 /nfs/dbraw/zinc/50/64/24/551506424.db2.gz DAXDYJMXXOEUKJ-DYVFJYSZSA-N 1 0 384.929 2.690 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)Cc2cccc(I)c2)C[N@@H+]1C1CC1 ZINC000155857519 551509210 /nfs/dbraw/zinc/50/92/10/551509210.db2.gz CACKLCRFWAWTLC-BXUZGUMPSA-N 1 0 384.261 2.575 20 0 GFADRO CN(C(=O)Nc1cc(Br)cnc1OCC(F)(F)F)C1CC([NH3+])C1 ZINC000415182366 563761992 /nfs/dbraw/zinc/76/19/92/563761992.db2.gz YUZGCHBFCABBQS-UHFFFAOYSA-N 1 0 397.195 2.739 20 0 GFADRO CC[NH+](CC)CCCNS(=O)(=O)c1c2ccccc2sc1C(=O)OC ZINC000156074227 551514059 /nfs/dbraw/zinc/51/40/59/551514059.db2.gz RMMYTRLTQREXHX-UHFFFAOYSA-N 1 0 384.523 2.698 20 0 GFADRO CC[N@H+](CCNC(=O)C(=O)Nc1ccc(Cl)cc1Br)C(C)C ZINC000156114476 551514910 /nfs/dbraw/zinc/51/49/10/551514910.db2.gz CWUAFHARZFDYEF-UHFFFAOYSA-N 1 0 390.709 2.888 20 0 GFADRO [NH3+][C@H](Cc1ccccc1)C(=O)N1CCO[C@H](c2cccc(Br)c2)C1 ZINC000156169744 551516539 /nfs/dbraw/zinc/51/65/39/551516539.db2.gz RDMYIXWECOQMAI-MSOLQXFVSA-N 1 0 389.293 2.919 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@H](NS(=O)(=O)c2cc(F)ccc2Br)C1 ZINC000156521959 551523965 /nfs/dbraw/zinc/52/39/65/551523965.db2.gz QZRIURUXRHEZLE-NWDGAFQWSA-N 1 0 379.295 2.739 20 0 GFADRO CC[NH+](CC)[C@@H]1CCN(S(=O)(=O)c2cc(F)ccc2Br)C1 ZINC000156467662 551523684 /nfs/dbraw/zinc/52/36/84/551523684.db2.gz ZVSYXQDLCDHPQC-GFCCVEGCSA-N 1 0 379.295 2.693 20 0 GFADRO C[C@H]([NH2+]C[C@H](O)COc1ccc(I)cc1)c1ccncc1 ZINC000156585410 551525375 /nfs/dbraw/zinc/52/53/75/551525375.db2.gz MHYDZLQPBALEFO-WFASDCNBSA-N 1 0 398.244 2.777 20 0 GFADRO C[C@H]1CCCN(C(=O)c2ccc(F)cc2I)[C@H]1C[NH3+] ZINC000156953244 551531279 /nfs/dbraw/zinc/53/12/79/551531279.db2.gz LAVXCFPTBCSHOE-ZANVPECISA-N 1 0 376.213 2.630 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)c(C)c1C[N@@H+]1CC[C@H](C(N)=O)C1 ZINC000157116788 551534003 /nfs/dbraw/zinc/53/40/03/551534003.db2.gz CJEBLHWHXYDPDI-ZDUSSCGKSA-N 1 0 377.286 2.559 20 0 GFADRO O=C(Nc1ccccc1Br)C1CCN(C(=O)[C@H]2CCC[NH2+]C2)CC1 ZINC000157667343 551540926 /nfs/dbraw/zinc/54/09/26/551540926.db2.gz JWYGYQIXABKOAD-AWEZNQCLSA-N 1 0 394.313 2.626 20 0 GFADRO O[C@H](C[NH2+]C1(c2ccc(Br)cc2)CCC1)COC[C@H]1CCCO1 ZINC000157827380 551543404 /nfs/dbraw/zinc/54/34/04/551543404.db2.gz RTPVYRQXBZJNIC-IAGOWNOFSA-N 1 0 384.314 2.974 20 0 GFADRO [NH3+]C[C@H]1CCC[C@@H]1NC(=O)CCC[S@](=O)c1ccc(Br)cc1 ZINC000158006428 551546174 /nfs/dbraw/zinc/54/61/74/551546174.db2.gz ZNDXXOGITLURBF-XTCJLCLGSA-N 1 0 387.343 2.581 20 0 GFADRO [NH3+]C1CCN(C(=O)Nc2cc(F)c(F)cc2I)CC1 ZINC000415240425 563763449 /nfs/dbraw/zinc/76/34/49/563763449.db2.gz QIZRUOXHYOGORM-UHFFFAOYSA-N 1 0 381.164 2.524 20 0 GFADRO COc1ccccc1/C=C/C[NH2+]CCNS(=O)(=O)c1cc(C)sc1C ZINC000158384834 551551123 /nfs/dbraw/zinc/55/11/23/551551123.db2.gz BXBZAVVXRKTTBG-SOFGYWHQSA-N 1 0 380.535 2.955 20 0 GFADRO O=C(N1CC[C@@]2(CC[NH2+]C2)C1)C1(c2ccc(Br)cc2)CCOCC1 ZINC000158538364 551553427 /nfs/dbraw/zinc/55/34/27/551553427.db2.gz QAYQZRMKCHVRBP-GOSISDBHSA-N 1 0 393.325 2.709 20 0 GFADRO O=C(CCC[S@](=O)c1ccc(Br)cc1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000158524914 551553451 /nfs/dbraw/zinc/55/34/51/551553451.db2.gz CDGNPPHXIVYKBG-UZUQRXQVSA-N 1 0 399.354 2.549 20 0 GFADRO O=C(CSc1cccc(Br)c1)NCCCC[NH+]1CCOCC1 ZINC000159024621 551559898 /nfs/dbraw/zinc/55/98/98/551559898.db2.gz HOOICQINQNIPGU-UHFFFAOYSA-N 1 0 387.343 2.770 20 0 GFADRO CCCC[N@H+](CCO)Cc1cc(I)c(OC)c(OC)c1 ZINC000159103760 551560928 /nfs/dbraw/zinc/56/09/28/551560928.db2.gz QVZJPQCFFCEQDH-UHFFFAOYSA-N 1 0 393.265 2.903 20 0 GFADRO CC[N@H+](CCC(=O)Nc1ccc(C(N)=O)c(Cl)c1)CCc1nccs1 ZINC000159158621 551561412 /nfs/dbraw/zinc/56/14/12/551561412.db2.gz OWOQBRXAZCKQIZ-UHFFFAOYSA-N 1 0 380.901 2.789 20 0 GFADRO O=C1NCCN1C1CC[NH+](Cc2cc(Br)cc3cccnc32)CC1 ZINC000161512201 551595482 /nfs/dbraw/zinc/59/54/82/551595482.db2.gz WSONPMMMGOMSDP-UHFFFAOYSA-N 1 0 389.297 2.987 20 0 GFADRO C[NH+](C)C[C@@H](Cc1ccccc1)N[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000161974488 551601141 /nfs/dbraw/zinc/60/11/41/551601141.db2.gz OHUAYFOTILKDCY-QZTJIDSGSA-N 1 0 390.325 2.738 20 0 GFADRO [NH3+][C@H]1CCC[C@H](NC(=O)c2nn(-c3ccc(F)cc3)cc2Br)C1 ZINC000162282376 551606175 /nfs/dbraw/zinc/60/61/75/551606175.db2.gz SKXOXCRRFMIJLD-RYUDHWBXSA-N 1 0 381.249 2.774 20 0 GFADRO CC(C)(O)C[NH+]1CCN(Cc2cc(Br)cc3cccnc32)CC1 ZINC000162417240 551607908 /nfs/dbraw/zinc/60/79/08/551607908.db2.gz COGWJNCRJCFVFC-UHFFFAOYSA-N 1 0 378.314 2.886 20 0 GFADRO C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)Nc1cc(F)ccc1Br ZINC000162645845 551610648 /nfs/dbraw/zinc/61/06/48/551610648.db2.gz CJAOBIYHVGCNLH-NSHDSACASA-N 1 0 386.265 2.517 20 0 GFADRO Cc1cc(NC(=O)C(=O)N(CC[NH+](C)C)CC(C)C)ccc1Br ZINC000162810521 551613095 /nfs/dbraw/zinc/61/30/95/551613095.db2.gz VVKWPJWLGCDBAO-UHFFFAOYSA-N 1 0 384.318 2.742 20 0 GFADRO [NH3+]C1(CNS(=O)(=O)Cc2ccc(Br)cc2)CCCCCC1 ZINC000162886336 551614106 /nfs/dbraw/zinc/61/41/06/551614106.db2.gz ZWEIXKLCDGSAJO-UHFFFAOYSA-N 1 0 375.332 2.920 20 0 GFADRO C[C@H](C(=O)NC[C@H](O)COc1ccccc1Br)[NH+]1CCCCCC1 ZINC000166409751 551632035 /nfs/dbraw/zinc/63/20/35/551632035.db2.gz QKHVUVZSTHUEST-CABCVRRESA-N 1 0 399.329 2.570 20 0 GFADRO C[C@H](CC[NH2+]Cc1ncc(Br)cc1Br)[S@](C)=O ZINC000168621673 551634913 /nfs/dbraw/zinc/63/49/13/551634913.db2.gz YZPLPFLDNUZJSK-CQLKUDPESA-N 1 0 384.137 2.853 20 0 GFADRO COCC[NH+]1CCC(NC(=O)N[C@@H]2CCc3c2cccc3Br)CC1 ZINC000170812780 551640261 /nfs/dbraw/zinc/64/02/61/551640261.db2.gz QKUSRXDYCGLPAV-QGZVFWFLSA-N 1 0 396.329 2.846 20 0 GFADRO C[C@@H](CNC(=O)c1ccc(C2SCCCS2)cc1)N1CC[NH+](C)CC1 ZINC000171135519 551647672 /nfs/dbraw/zinc/64/76/72/551647672.db2.gz IMQBLKZKYLHTEF-HNNXBMFYSA-N 1 0 379.595 2.921 20 0 GFADRO C[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NCC(=O)Nc1ccccc1Br ZINC000171414684 551655009 /nfs/dbraw/zinc/65/50/09/551655009.db2.gz JVBJANHLYUXZNU-TZMCWYRMSA-N 1 0 382.302 2.672 20 0 GFADRO C[C@@H]1CN=C(N2CCN(C(=O)Cc3coc(-c4cccs4)n3)CC2)S1 ZINC000173078441 551695016 /nfs/dbraw/zinc/69/50/16/551695016.db2.gz GVGOYZAUHXGRLE-GFCCVEGCSA-N 1 0 376.507 2.581 20 0 GFADRO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)Nc1cccc(Br)c1Cl ZINC000415496762 563779885 /nfs/dbraw/zinc/77/98/85/563779885.db2.gz GXRLJJDODLLNQR-LLVKDONJSA-N 1 0 390.709 2.873 20 0 GFADRO COC[C@@]1(CNC(=O)Nc2cc(F)cc(Br)c2F)CCC[NH2+]1 ZINC000415620666 563788729 /nfs/dbraw/zinc/78/87/29/563788729.db2.gz QCYKRGITGLXNHO-AWEZNQCLSA-N 1 0 378.217 2.617 20 0 GFADRO C[NH+]1CCN([C@H]2CCCCN(C(=O)c3ccc(Br)cc3F)C2)CC1 ZINC000173293196 552082288 /nfs/dbraw/zinc/08/22/88/552082288.db2.gz JDPPQHCRRUWCJM-HNNXBMFYSA-N 1 0 398.320 2.830 20 0 GFADRO O=C(NC[C@H]1CCC[N@@H+]1CC1CCCCC1)c1c[nH]c(=O)c(Br)c1 ZINC000173637574 552089782 /nfs/dbraw/zinc/08/97/82/552089782.db2.gz IHDPHFCZZBXHMA-OAHLLOKOSA-N 1 0 396.329 2.912 20 0 GFADRO C[C@@H](c1ccc(Br)cc1)N1CC[NH+](CCCN2CCOCC2)CC1 ZINC000173854227 552094183 /nfs/dbraw/zinc/09/41/83/552094183.db2.gz JLGLZXQZANKUFR-KRWDZBQOSA-N 1 0 396.373 2.850 20 0 GFADRO COCC[N@H+](C)CCCNC(=O)Nc1c(F)cc(Br)cc1F ZINC000174087485 552098518 /nfs/dbraw/zinc/09/85/18/552098518.db2.gz RHLZMIOBQWRFRR-UHFFFAOYSA-N 1 0 380.233 2.817 20 0 GFADRO CC[NH+](CC)[C@@H]1CCN(C(=O)c2cc(Br)c3c(c2)OCCO3)C1 ZINC000174178102 552101168 /nfs/dbraw/zinc/10/11/68/552101168.db2.gz QRTCJVPLNDJVNR-CYBMUJFWSA-N 1 0 383.286 2.777 20 0 GFADRO CC(C)(C(=O)N1CC[C@H](C[NH+]2CCOCC2)C1)c1cccc(Br)c1 ZINC000174205659 552102171 /nfs/dbraw/zinc/10/21/71/552102171.db2.gz USSGPALPPVMYBG-OAHLLOKOSA-N 1 0 395.341 2.907 20 0 GFADRO CC[NH+]1CCN(CCC(=O)Nc2cccc(Br)c2COC)CC1 ZINC000174465190 552104458 /nfs/dbraw/zinc/10/44/58/552104458.db2.gz FOFLXWAZUDZPGC-UHFFFAOYSA-N 1 0 384.318 2.562 20 0 GFADRO CS(=O)(=O)CCOCC[NH2+]Cc1ccc(-c2nc3ccccc3s2)o1 ZINC000174512255 552105780 /nfs/dbraw/zinc/10/57/80/552105780.db2.gz MYNYMSDRCWOXKW-UHFFFAOYSA-N 1 0 380.491 2.707 20 0 GFADRO Cc1cc(NC(=O)NCCN2CCC([NH+](C)C)CC2)ccc1Br ZINC000175072306 552115180 /nfs/dbraw/zinc/11/51/80/552115180.db2.gz JXXREQPIJVZLBJ-UHFFFAOYSA-N 1 0 383.334 2.905 20 0 GFADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)S(=O)(=O)CCCF ZINC000175538394 552124124 /nfs/dbraw/zinc/12/41/24/552124124.db2.gz KZTFMMSTAJHOKB-UHFFFAOYSA-N 1 0 381.311 2.502 20 0 GFADRO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NCc1sccc1Br ZINC000175787700 552129027 /nfs/dbraw/zinc/12/90/27/552129027.db2.gz HTVNHYBKNUSLAB-CQSZACIVSA-N 1 0 375.332 2.920 20 0 GFADRO CC[NH+](CC)[C@@H]1CCN(C(=O)Nc2cccc(S(=O)(=O)C(F)F)c2)C1 ZINC000176000476 552133677 /nfs/dbraw/zinc/13/36/77/552133677.db2.gz WIELMUKPJZLJHS-CYBMUJFWSA-N 1 0 375.441 2.631 20 0 GFADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2nc(-c3cccs3)cs2)C1 ZINC000176089767 552135408 /nfs/dbraw/zinc/13/54/08/552135408.db2.gz IHZOBMBQRLZMLL-LBPRGKRZSA-N 1 0 378.523 2.610 20 0 GFADRO C[C@@H]1C[NH+](CCCCNC(=O)COc2ccc(Br)cc2)C[C@@H](C)O1 ZINC000176687080 552144175 /nfs/dbraw/zinc/14/41/75/552144175.db2.gz SOALZQHSAXXABA-HUUCEWRRSA-N 1 0 399.329 2.834 20 0 GFADRO O=C(c1cc2cc(Br)ccc2[nH]1)N1CC[NH+](C2CCOCC2)CC1 ZINC000176826771 552146992 /nfs/dbraw/zinc/14/69/92/552146992.db2.gz VEVIHOBNYIALRC-UHFFFAOYSA-N 1 0 392.297 2.867 20 0 GFADRO CCO[C@H](CC[NH+](C)C)CNC(=O)[C@@H](C)Oc1ccc(Br)cc1 ZINC000176857035 552147229 /nfs/dbraw/zinc/14/72/29/552147229.db2.gz SDEHMZVCWLVUQF-CZUORRHYSA-N 1 0 387.318 2.689 20 0 GFADRO O=C(NCCCC[NH+]1CCN(c2ccccc2)CC1)[C@@H]1CSCCS1 ZINC000177001403 552149599 /nfs/dbraw/zinc/14/95/99/552149599.db2.gz BPMHHIHMOSVXKJ-SFHVURJKSA-N 1 0 379.595 2.554 20 0 GFADRO C[C@@H]([N@H+](C)CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1)C1(C)CC1 ZINC000177245581 552152399 /nfs/dbraw/zinc/15/23/99/552152399.db2.gz YOJNVAFMBJGLPD-GFCCVEGCSA-N 1 0 387.933 2.649 20 0 GFADRO C[C@H]([NH2+]C[C@H](O)c1ccccc1Cl)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000177363376 552154022 /nfs/dbraw/zinc/15/40/22/552154022.db2.gz BGZPOZMTPQRNDG-UGSOOPFHSA-N 1 0 382.913 2.975 20 0 GFADRO Cn1c(SCC(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)nnc1-c1cccs1 ZINC000177479412 552155359 /nfs/dbraw/zinc/15/53/59/552155359.db2.gz MWKMHQPBNGWPOS-STQMWFEESA-N 1 0 379.555 2.625 20 0 GFADRO CCC(CC)[C@@H](CNC(=O)Nc1cc(Br)cn(C)c1=O)[NH+](C)C ZINC000177969846 552161542 /nfs/dbraw/zinc/16/15/42/552161542.db2.gz CPEDRCLUKHHVQW-CQSZACIVSA-N 1 0 387.322 2.636 20 0 GFADRO C[C@@H](CNC(=O)N[C@@H](CO)c1cccc(Br)c1)C[NH+]1CCCCC1 ZINC000177977289 552162172 /nfs/dbraw/zinc/16/21/72/552162172.db2.gz AXHBJJNWXLVDJD-YOEHRIQHSA-N 1 0 398.345 2.904 20 0 GFADRO C[C@H](CNC(=O)N[C@H](CO)c1cccc(Br)c1)C[NH+]1CCCCC1 ZINC000177977329 552162266 /nfs/dbraw/zinc/16/22/66/552162266.db2.gz AXHBJJNWXLVDJD-RHSMWYFYSA-N 1 0 398.345 2.904 20 0 GFADRO C[C@H](Oc1cccc(Cl)c1Cl)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000178123330 552164840 /nfs/dbraw/zinc/16/48/40/552164840.db2.gz BOVISXRWAPDUSE-KBPBESRZSA-N 1 0 387.307 2.941 20 0 GFADRO CSc1ccc(Cl)cc1NCC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000178335005 552169233 /nfs/dbraw/zinc/16/92/33/552169233.db2.gz MNISDRWIUYETJG-OAHLLOKOSA-N 1 0 385.961 2.947 20 0 GFADRO C[C@H](Cn1cc(Br)cn1)[NH2+][C@H](C)c1ccc(-n2cncn2)cc1 ZINC000178323639 552169248 /nfs/dbraw/zinc/16/92/48/552169248.db2.gz OSDGJJIHZSETHT-CHWSQXEVSA-N 1 0 375.274 2.966 20 0 GFADRO COC(=O)c1ccc(Cl)cc1S(=O)(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000178509063 552171695 /nfs/dbraw/zinc/17/16/95/552171695.db2.gz QPYBYZUGIDMSIB-UHFFFAOYSA-N 1 0 388.917 2.669 20 0 GFADRO COC(=O)c1ccc(Cl)cc1S(=O)(=O)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000178517977 552172029 /nfs/dbraw/zinc/17/20/29/552172029.db2.gz DFNCFWQMNADZHU-CYBMUJFWSA-N 1 0 388.917 2.527 20 0 GFADRO C[C@@H](C(=O)Nc1cccc(Cl)c1Cl)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000178832075 552176716 /nfs/dbraw/zinc/17/67/16/552176716.db2.gz BATGYMXHRWMJJB-KBPBESRZSA-N 1 0 386.323 2.975 20 0 GFADRO C[C@@H]([NH3+])C1CCN(C(=O)c2ccn(-c3cccc(Br)c3)n2)CC1 ZINC000178870085 552177507 /nfs/dbraw/zinc/17/75/07/552177507.db2.gz FAOXHIXYMNTFQB-GFCCVEGCSA-N 1 0 377.286 2.834 20 0 GFADRO CCCN(C(=O)c1cnn(-c2ccc(Br)cc2)c1)[C@H]1CC[NH2+]C1 ZINC000178925940 552179889 /nfs/dbraw/zinc/17/98/89/552179889.db2.gz KFDMMVJWGWRLKE-INIZCTEOSA-N 1 0 377.286 2.849 20 0 GFADRO CCOc1cc(Br)c(CC(=O)N2CC[C@@H](C[NH2+]C)C2)cc1OCC ZINC000178970191 552180927 /nfs/dbraw/zinc/18/09/27/552180927.db2.gz BYWPSPHKNNCXJG-ZDUSSCGKSA-N 1 0 399.329 2.857 20 0 GFADRO COC(=O)C[C@H]1CCC[N@@H+]1CC(=O)N[C@H](C)c1ccc(Br)cc1 ZINC000179124754 552185014 /nfs/dbraw/zinc/18/50/14/552185014.db2.gz KIWJUMYGSWIPMA-IUODEOHRSA-N 1 0 383.286 2.654 20 0 GFADRO C[N@H+](CC(=O)NCc1ccc(COCC(F)(F)F)cc1)[C@@H]1CCSC1 ZINC000179130766 552185084 /nfs/dbraw/zinc/18/50/84/552185084.db2.gz KCBSBGXRYQNJPC-OAHLLOKOSA-N 1 0 376.444 2.819 20 0 GFADRO CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H](C)c2ncc(Br)s2)CC1 ZINC000179224825 552187119 /nfs/dbraw/zinc/18/71/19/552187119.db2.gz PDKGHRZURAIJIE-OLZOCXBDSA-N 1 0 375.380 2.830 20 0 GFADRO COc1cc(C(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)sc1Br ZINC000179363900 552191096 /nfs/dbraw/zinc/19/10/96/552191096.db2.gz CDMJERAEKUICBB-LLVKDONJSA-N 1 0 391.331 2.606 20 0 GFADRO CNS(=O)(=O)c1cccc([C@H](C)[NH2+]C[C@@H](O)c2ccc(Cl)c(F)c2)c1 ZINC000179502050 552195197 /nfs/dbraw/zinc/19/51/97/552195197.db2.gz HGJOKTJMSDQGKB-APPDUMDISA-N 1 0 386.876 2.771 20 0 GFADRO C[C@@H]([NH2+]CC(=O)Nc1ccc(I)cc1)C1CCOCC1 ZINC000179868800 552205371 /nfs/dbraw/zinc/20/53/71/552205371.db2.gz AJNOZSVKOYSOMF-LLVKDONJSA-N 1 0 388.249 2.634 20 0 GFADRO C[C@@H](C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1)c1ccc(Br)cc1 ZINC000179878227 552205971 /nfs/dbraw/zinc/20/59/71/552205971.db2.gz JTVHGTGCJHAXBH-HUUCEWRRSA-N 1 0 381.314 2.733 20 0 GFADRO CS(=O)(=O)N1CCC([NH2+][C@H](c2ccc(Br)cc2)C2CC2)CC1 ZINC000180003581 552209135 /nfs/dbraw/zinc/20/91/35/552209135.db2.gz KNTCISXFVKNITR-INIZCTEOSA-N 1 0 387.343 2.914 20 0 GFADRO COCCOC[C@H]1CC[N@H+](Cc2cc(Br)c3c(c2)OCCO3)C1 ZINC000180009263 552209750 /nfs/dbraw/zinc/20/97/50/552209750.db2.gz CVZRAHPJVJWBCS-ZDUSSCGKSA-N 1 0 386.286 2.705 20 0 GFADRO CC(Cl)(Cl)C(=O)N1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000180074351 552212214 /nfs/dbraw/zinc/21/22/14/552212214.db2.gz KTWVLRPYUCHMOK-OAHLLOKOSA-N 1 0 385.339 2.636 20 0 GFADRO CC[C@H](CO)[NH+]1CCN(C(=O)Nc2ccc(Cl)c(OC(F)F)c2)CC1 ZINC000180132211 552214436 /nfs/dbraw/zinc/21/44/36/552214436.db2.gz OABUWQLUVUABHK-GFCCVEGCSA-N 1 0 377.819 2.862 20 0 GFADRO CCOC(=O)CN(CCCNC(C)=O)[C@H](C)c1cccc(Br)c1 ZINC000180157856 552215521 /nfs/dbraw/zinc/21/55/21/552215521.db2.gz PRQPQOFUFUPJPZ-CYBMUJFWSA-N 1 0 385.302 2.901 20 0 GFADRO Cc1cc(Br)cc(C[NH2+]CC2(O)CCOCC2)c1OC(F)F ZINC000180166998 552215843 /nfs/dbraw/zinc/21/58/43/552215843.db2.gz HLFALMKXRILXRL-UHFFFAOYSA-N 1 0 380.229 2.990 20 0 GFADRO CS(=O)(=O)N1CCC[C@@H]1C[NH2+][C@@H](c1ccc(Br)cc1)C1CC1 ZINC000180203277 552217447 /nfs/dbraw/zinc/21/74/47/552217447.db2.gz WXQGXDUEFNFYPR-HZPDHXFCSA-N 1 0 387.343 2.914 20 0 GFADRO Cc1cc(NC(=O)C(=O)N2CCC([NH2+]C(C)C)CC2)ccc1Br ZINC000180354944 552223560 /nfs/dbraw/zinc/22/35/60/552223560.db2.gz QIAQKHOUYGPJSJ-UHFFFAOYSA-N 1 0 382.302 2.685 20 0 GFADRO O=C(NCc1ccccc1C[N@H+]1CCC[C@H]1CO)c1ccc(Br)o1 ZINC000180474016 552227285 /nfs/dbraw/zinc/22/72/85/552227285.db2.gz PEZHAJRRCQUVFZ-HNNXBMFYSA-N 1 0 393.281 2.929 20 0 GFADRO CN(C1CC[NH+](C)CC1)S(=O)(=O)Cc1ccc(Cl)cc1Br ZINC000180516370 552228557 /nfs/dbraw/zinc/22/85/57/552228557.db2.gz ONPXWUJMQIXMMT-UHFFFAOYSA-N 1 0 395.750 2.958 20 0 GFADRO C[C@H]1C[C@@H]([NH2+]CCS(=O)(=O)NC[C@@H]2CCCCO2)c2ccsc2S1 ZINC000180749057 552234865 /nfs/dbraw/zinc/23/48/65/552234865.db2.gz SRJWPDOSJDMSGK-KCQAQPDRSA-N 1 0 390.596 2.752 20 0 GFADRO C[C@@H]([NH2+]CCCNC(=O)c1cccs1)c1ccc(NS(C)(=O)=O)cc1 ZINC000180833511 552237192 /nfs/dbraw/zinc/23/71/92/552237192.db2.gz WPZVBYFIZBIXII-CYBMUJFWSA-N 1 0 381.523 2.590 20 0 GFADRO Cn1ncc2c1CCC[C@@H]2[NH2+]CCNC(=O)c1cccc(Br)c1 ZINC000180833879 552237244 /nfs/dbraw/zinc/23/72/44/552237244.db2.gz FXPKBMQAMZDVQU-HNNXBMFYSA-N 1 0 377.286 2.580 20 0 GFADRO C[C@@H](CC(=O)Nc1cccnc1Cl)[NH2+]CCCNC(=O)c1cccs1 ZINC000180832087 552237250 /nfs/dbraw/zinc/23/72/50/552237250.db2.gz OFOAJYYRXACEHN-LBPRGKRZSA-N 1 0 380.901 2.923 20 0 GFADRO C[C@@H]([NH2+]CCN1C(=O)NC2(CCCC2)C1=O)c1ccc(Br)cc1 ZINC000181122809 552247675 /nfs/dbraw/zinc/24/76/75/552247675.db2.gz PCIMDNTYYSDWGF-GFCCVEGCSA-N 1 0 380.286 2.964 20 0 GFADRO CS(=O)(=O)CC1(C[NH2+][C@@H]2CCc3c2c(Br)ccc3F)CC1 ZINC000181226339 552250776 /nfs/dbraw/zinc/25/07/76/552250776.db2.gz XDLPYQCWSBSIOT-CYBMUJFWSA-N 1 0 376.291 2.990 20 0 GFADRO COCCC[NH+]1CCC(NC(=O)Nc2ccc(Br)nc2C)CC1 ZINC000181294483 552252344 /nfs/dbraw/zinc/25/23/44/552252344.db2.gz FYOHEWWUOUZOLU-UHFFFAOYSA-N 1 0 385.306 2.775 20 0 GFADRO CCNC(=O)N1CC[C@H]([NH2+][C@@H](C)CC(=O)Nc2ccc(Br)cc2)C1 ZINC000181332126 552253563 /nfs/dbraw/zinc/25/35/63/552253563.db2.gz BJLDOYAAZHOIRR-WFASDCNBSA-N 1 0 397.317 2.560 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCO[C@]2(CCSC2)C1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000181446967 552257037 /nfs/dbraw/zinc/25/70/37/552257037.db2.gz ZSDMSOOEPVZLMJ-YXJHDRRASA-N 1 0 384.567 2.642 20 0 GFADRO CN(CCc1ccncc1)CC(=O)Nc1ccc(I)cc1 ZINC000181474633 552257465 /nfs/dbraw/zinc/25/74/65/552257465.db2.gz QXMZWINGHICWID-UHFFFAOYSA-N 1 0 395.244 2.799 20 0 GFADRO Cc1cc(S(=O)(=O)NCC[NH2+][C@@H](C)c2ccc3c(c2)OCO3)c(C)s1 ZINC000181506870 552258675 /nfs/dbraw/zinc/25/86/75/552258675.db2.gz NBUGQPOBAOYVEJ-LBPRGKRZSA-N 1 0 382.507 2.723 20 0 GFADRO CCN(CCC[NH2+][C@@H](C)c1ccc(OC)cc1Br)S(C)(=O)=O ZINC000181544575 552260463 /nfs/dbraw/zinc/26/04/63/552260463.db2.gz PFVVXFATQZEQHH-LBPRGKRZSA-N 1 0 393.347 2.780 20 0 GFADRO COc1cc(NCC[NH2+][C@@H](C)Cn2cc(Br)cn2)cc(OC)c1 ZINC000181603951 552262059 /nfs/dbraw/zinc/26/20/59/552262059.db2.gz XAUXPPUFGKVOSO-LBPRGKRZSA-N 1 0 383.290 2.753 20 0 GFADRO Cc1ccc(-n2cnnc2SCC(=O)N(C)CCC[NH+](C)C)cc1Cl ZINC000181989413 552272212 /nfs/dbraw/zinc/27/22/12/552272212.db2.gz INLVRWATIXFEFU-UHFFFAOYSA-N 1 0 381.933 2.731 20 0 GFADRO CC(=O)Nc1ccc([C@H](C)[NH2+]CCNS(=O)(=O)c2ccc(C)s2)cc1 ZINC000182159384 552276929 /nfs/dbraw/zinc/27/69/29/552276929.db2.gz FECYPWDMSMQUTG-ZDUSSCGKSA-N 1 0 381.523 2.644 20 0 GFADRO O=C(NCCNc1cccc(Br)c1)NC1CC[NH+](C2CC2)CC1 ZINC000182274950 552280194 /nfs/dbraw/zinc/28/01/94/552280194.db2.gz QLJQQRGAVFYCEV-UHFFFAOYSA-N 1 0 381.318 2.787 20 0 GFADRO COCC[NH+]1CCC(N[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)CC1 ZINC000182452372 552284542 /nfs/dbraw/zinc/28/45/42/552284542.db2.gz PNHFSEGDKWCRAQ-QGZVFWFLSA-N 1 0 386.323 2.799 20 0 GFADRO COC(=O)c1cc(NC(=O)N2CCC([NH+](C)C)CC2)ccc1Br ZINC000182581424 552288215 /nfs/dbraw/zinc/28/82/15/552288215.db2.gz QFOYLCXXQSJIAF-UHFFFAOYSA-N 1 0 384.274 2.794 20 0 GFADRO CCCS(=O)(=O)Nc1ccc(Cl)c(C(=O)NCC[NH+](CC)CC)c1 ZINC000182732754 552291788 /nfs/dbraw/zinc/29/17/88/552291788.db2.gz QGEPCHSEOOFION-UHFFFAOYSA-N 1 0 375.922 2.563 20 0 GFADRO COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2S(C)(=O)=O)cc1Br ZINC000182753363 552292344 /nfs/dbraw/zinc/29/23/44/552292344.db2.gz ZGYYFYLJFPOGAK-UKRRQHHQSA-N 1 0 376.316 2.903 20 0 GFADRO O=C(c1cccc(Br)n1)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000182765910 552292717 /nfs/dbraw/zinc/29/27/17/552292717.db2.gz ZMXMXQXTLHTYTC-UHFFFAOYSA-N 1 0 382.302 2.561 20 0 GFADRO O=S(=O)(NCC[C@@H]1CC[NH2+]C1)c1c(Cl)cc(F)cc1Br ZINC000183153150 552302354 /nfs/dbraw/zinc/30/23/54/552302354.db2.gz AHJMCMDBBTXING-QMMMGPOBSA-N 1 0 385.686 2.520 20 0 GFADRO C[C@H](CCNS(=O)(=O)c1ccc(OCC(F)F)cc1)[NH+]1CCCCC1 ZINC000183294276 552305063 /nfs/dbraw/zinc/30/50/63/552305063.db2.gz HREYWMAOUKQHSX-CQSZACIVSA-N 1 0 376.469 2.873 20 0 GFADRO Cc1c([C@H](C)[NH2+]CC(=O)N(C)Cc2ccccc2Br)cnn1C ZINC000183335719 552306063 /nfs/dbraw/zinc/30/60/63/552306063.db2.gz AYYWNIJQRNSZIY-LBPRGKRZSA-N 1 0 379.302 2.800 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)C(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000183353074 552306626 /nfs/dbraw/zinc/30/66/26/552306626.db2.gz UPVWSAMGDFGWDB-UHFFFAOYSA-N 1 0 396.329 2.934 20 0 GFADRO CC[N@@H+]1CC[C@H](CNC(=O)c2ncc(Br)cc2Br)C1 ZINC000183434681 552309382 /nfs/dbraw/zinc/30/93/82/552309382.db2.gz GPGYTHXVYNZFIP-SECBINFHSA-N 1 0 391.107 2.678 20 0 GFADRO O=C(NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1ccc(Br)o1 ZINC000183438894 552309269 /nfs/dbraw/zinc/30/92/69/552309269.db2.gz UYXRDZBHXRMYIZ-CQSZACIVSA-N 1 0 379.254 2.539 20 0 GFADRO C[N@@H+]1CCC[C@@H](CNC(=O)c2ncc(Br)cc2Br)C1 ZINC000183566607 552313509 /nfs/dbraw/zinc/31/35/09/552313509.db2.gz YPWULWCCCAUZDZ-VIFPVBQESA-N 1 0 391.107 2.678 20 0 GFADRO C[C@H](CCNC(=O)Nc1cc(Br)cn(C)c1=O)[NH+]1CCCCC1 ZINC000183870259 552321442 /nfs/dbraw/zinc/32/14/42/552321442.db2.gz RJRWXRLEOBGZQV-GFCCVEGCSA-N 1 0 385.306 2.534 20 0 GFADRO COC(=O)c1cccc(OCC[NH2+][C@@H](CO)c2cccc(Br)c2)c1 ZINC000183908387 552322156 /nfs/dbraw/zinc/32/21/56/552322156.db2.gz JRBRQSPNUSHFJY-KRWDZBQOSA-N 1 0 394.265 2.938 20 0 GFADRO CC[N@H+](CCO)CCNC(=O)C1(c2ccc(Br)cc2)CCCC1 ZINC000183924493 552323190 /nfs/dbraw/zinc/32/31/90/552323190.db2.gz JOIJQXFODWLMTL-UHFFFAOYSA-N 1 0 383.330 2.691 20 0 GFADRO C[C@@H](CNC(=O)c1ccc(Cl)cc1C(F)(F)F)C[NH+]1CCN(C)CC1 ZINC000184134645 552327948 /nfs/dbraw/zinc/32/79/48/552327948.db2.gz AFMSIYORWFYSIP-LBPRGKRZSA-N 1 0 377.838 2.972 20 0 GFADRO [NH3+]CC1(CC(=O)NC[C@H](O)COc2ccccc2Br)CCCCC1 ZINC000184212779 552329936 /nfs/dbraw/zinc/32/99/36/552329936.db2.gz IECUQZJVSSCXNL-AWEZNQCLSA-N 1 0 399.329 2.604 20 0 GFADRO C[C@H]1OCC[C@H]1S(=O)(=O)N(CC[NH+]1CCCC1)Cc1ccc(Cl)cc1 ZINC000184463145 552335723 /nfs/dbraw/zinc/33/57/23/552335723.db2.gz YLOVYCLMRYXVAA-CRAIPNDOSA-N 1 0 386.945 2.745 20 0 GFADRO Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)[NH2+]CCN1C(=O)CNC1=O ZINC000184509876 552337341 /nfs/dbraw/zinc/33/73/41/552337341.db2.gz HYZKXMFVWFTJFW-JTQLQIEISA-N 1 0 378.885 2.974 20 0 GFADRO COCCC[N@H+](C)CCNC(=O)Nc1cc(Br)c(C)cc1OC ZINC000184583131 552339442 /nfs/dbraw/zinc/33/94/42/552339442.db2.gz ZNGBEHIMBSRURE-UHFFFAOYSA-N 1 0 388.306 2.856 20 0 GFADRO Cc1ccc(NC(=O)[C@H](C)[NH2+][C@H]2CCCC[C@@H]2C(N)=O)c(Br)c1 ZINC000184812377 552344698 /nfs/dbraw/zinc/34/46/98/552344698.db2.gz PWDKKXFYYOXDBD-OBJOEFQTSA-N 1 0 382.302 2.718 20 0 GFADRO NC(=O)[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000184844700 552346003 /nfs/dbraw/zinc/34/60/03/552346003.db2.gz QHYIALYXMVHACK-PWSUYJOCSA-N 1 0 377.794 2.931 20 0 GFADRO Cc1ccc(CCC(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)c(Br)c1 ZINC000185051574 552352291 /nfs/dbraw/zinc/35/22/91/552352291.db2.gz OTIMJIKVUJFDNV-INIZCTEOSA-N 1 0 396.373 2.690 20 0 GFADRO C[C@H](CC(=O)Nc1cccc(Br)c1)[N@H+](C)[C@@H](C)C[S@](C)=O ZINC000185227781 552357619 /nfs/dbraw/zinc/35/76/19/552357619.db2.gz PZURYRQDGCKPFF-IDFMNXDXSA-N 1 0 375.332 2.865 20 0 GFADRO C[S@@](=O)CCC[NH2+]Cc1cc(Br)cc(Br)c1N ZINC000185839402 552371840 /nfs/dbraw/zinc/37/18/40/552371840.db2.gz IPGHZLWVOWCLTP-QGZVFWFLSA-N 1 0 384.137 2.652 20 0 GFADRO CSC[C@@H](CCO)[NH2+]Cc1cc(Br)cc(Br)c1N ZINC000185839195 552372158 /nfs/dbraw/zinc/37/21/58/552372158.db2.gz CMIMEXBSVSPXLY-SNVBAGLBSA-N 1 0 398.164 2.997 20 0 GFADRO O=C(NCC1=CC[NH2+]CC1)c1ccc(Cl)c(I)c1 ZINC000186330362 552385519 /nfs/dbraw/zinc/38/55/19/552385519.db2.gz SOWRNKHVNJOTLE-UHFFFAOYSA-N 1 0 376.625 2.594 20 0 GFADRO O=C(NCC1=CC[NH2+]CC1)[C@@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl ZINC000186350273 552385840 /nfs/dbraw/zinc/38/58/40/552385840.db2.gz JWSSQWQAPHPOLF-INIZCTEOSA-N 1 0 382.291 2.634 20 0 GFADRO C[C@@H]1CN(c2ccc(C[NH2+]Cc3cncc(Br)c3)cn2)CCO1 ZINC000186590719 552391937 /nfs/dbraw/zinc/39/19/37/552391937.db2.gz NTVCKSHIMLUVEC-CYBMUJFWSA-N 1 0 377.286 2.754 20 0 GFADRO Cc1ccc(CCC(=O)NCCC[NH+]2CCC(O)CC2)c(Br)c1 ZINC000186686216 552394940 /nfs/dbraw/zinc/39/49/40/552394940.db2.gz JCFIUYSTNVZCQD-UHFFFAOYSA-N 1 0 383.330 2.653 20 0 GFADRO CCCNC(=O)C[C@H](C(N)=O)[N@H+](CCC)Cc1cccc(Br)c1C ZINC000186876964 552400137 /nfs/dbraw/zinc/40/01/37/552400137.db2.gz BOPOVQZDBFRCJY-MRXNPFEDSA-N 1 0 398.345 2.740 20 0 GFADRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)c1nn(-c2ccc(F)cc2)cc1Br ZINC000186892327 552400736 /nfs/dbraw/zinc/40/07/36/552400736.db2.gz QYAWMJQZNUWJPA-QMTHXVAHSA-N 1 0 381.249 2.502 20 0 GFADRO CCC[N@H+](CC)CCNC(=O)C(=O)Nc1cc(F)c(Br)cc1C ZINC000187202202 552409425 /nfs/dbraw/zinc/40/94/25/552409425.db2.gz IHOAYXMHXCKAML-UHFFFAOYSA-N 1 0 388.281 2.683 20 0 GFADRO C[C@H](NC(=O)c1coc(C[NH3+])c1)c1cc2c(cc1Br)OCCO2 ZINC000187454920 552416177 /nfs/dbraw/zinc/41/61/77/552416177.db2.gz XNSHXIGEAGOKFT-VIFPVBQESA-N 1 0 381.226 2.763 20 0 GFADRO Cc1cc(Br)cc(NC(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)c1 ZINC000187503242 552417098 /nfs/dbraw/zinc/41/70/98/552417098.db2.gz YUFWUOVWSWHVDZ-AWEZNQCLSA-N 1 0 383.334 2.763 20 0 GFADRO C[C@H](CC(=O)Nc1ccc(Br)cc1)[N@H+](C)[C@@H](C)C[S@](C)=O ZINC000187829743 552425585 /nfs/dbraw/zinc/42/55/85/552425585.db2.gz MDSDAXHTTMXTGM-IDFMNXDXSA-N 1 0 375.332 2.865 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)cc1Br ZINC000188060909 552433423 /nfs/dbraw/zinc/43/34/23/552433423.db2.gz SYKQSNVDDINUCQ-ZDUSSCGKSA-N 1 0 394.313 2.605 20 0 GFADRO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2cc(Br)c(C)nc2OC)C1 ZINC000188179714 552438102 /nfs/dbraw/zinc/43/81/02/552438102.db2.gz HHEYTBQVCANMAM-CYBMUJFWSA-N 1 0 384.318 2.965 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N(C)CC2([NH+](C)C)CCC2)cc1Br ZINC000188230103 552439617 /nfs/dbraw/zinc/43/96/17/552439617.db2.gz NNNLRQXXPYNLKW-UHFFFAOYSA-N 1 0 396.329 2.947 20 0 GFADRO C[C@@H](Cc1ccc(Br)cc1)[NH2+][C@H]1CCN(c2cnn(C)c2)C1=O ZINC000188285739 552441128 /nfs/dbraw/zinc/44/11/28/552441128.db2.gz GWCSQAGRSJXQJP-LRDDRELGSA-N 1 0 377.286 2.509 20 0 GFADRO COCc1nc2n(n1)C[C@H]([NH2+][C@@H](C)Cc1ccc(Br)cc1)CC2 ZINC000188306204 552441902 /nfs/dbraw/zinc/44/19/02/552441902.db2.gz NMQLZDYAWPYGRP-SWLSCSKDSA-N 1 0 379.302 2.723 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1scc(C)c1I ZINC000188659954 552451550 /nfs/dbraw/zinc/45/15/50/552451550.db2.gz UZPBGTUMLNGTOX-SNVBAGLBSA-N 1 0 378.279 2.875 20 0 GFADRO C[C@H](C(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1)c1ccc(Br)cc1 ZINC000188756934 552454440 /nfs/dbraw/zinc/45/44/40/552454440.db2.gz JXARLJCQPPJFFT-KBPBESRZSA-N 1 0 383.330 2.856 20 0 GFADRO Cc1ccc(CN2CC[C@H]([NH2+][C@@H](C)Cn3cc(Br)cn3)C2=O)cc1 ZINC000189081846 552462549 /nfs/dbraw/zinc/46/25/49/552462549.db2.gz QOMAZBKRESRYLQ-YOEHRIQHSA-N 1 0 391.313 2.733 20 0 GFADRO COc1ccc(C[NH2+]Cc2ccc(Br)cc2N2CCOCC2)cn1 ZINC000189313824 552468622 /nfs/dbraw/zinc/46/86/22/552468622.db2.gz LWNFICGACLSHHM-UHFFFAOYSA-N 1 0 392.297 2.979 20 0 GFADRO O=C(CCSc1ccc(Br)cc1)NCC[N@@H+]1CCCOCC1 ZINC000189374657 552470396 /nfs/dbraw/zinc/47/03/96/552470396.db2.gz HOPJIOARWMDMMK-UHFFFAOYSA-N 1 0 387.343 2.770 20 0 GFADRO CN(CCCN1CC[NH+](C)CC1)C(=O)c1c[nH]nc1-c1ccc(Cl)s1 ZINC000189395316 552470886 /nfs/dbraw/zinc/47/08/86/552470886.db2.gz WBZDXWDFHARSMQ-UHFFFAOYSA-N 1 0 381.933 2.501 20 0 GFADRO COCCO[C@H]1CC[N@@H+]([C@@H](C)C(=O)N(C)Cc2ccc(Br)cc2)C1 ZINC000189697308 552477716 /nfs/dbraw/zinc/47/77/16/552477716.db2.gz BJTMRUUMPMNECT-YOEHRIQHSA-N 1 0 399.329 2.533 20 0 GFADRO CC[C@H]([NH2+]CCOCC(F)(F)C(F)(F)F)c1cccc(S(N)(=O)=O)c1 ZINC000189844996 552481396 /nfs/dbraw/zinc/48/13/96/552481396.db2.gz XSQUAQMABJNLRR-LBPRGKRZSA-N 1 0 390.374 2.589 20 0 GFADRO O=S(=O)(NC1CC[NH+](CC2CC2)CC1)c1ccc(CC(F)(F)F)cc1 ZINC000189867602 552481677 /nfs/dbraw/zinc/48/16/77/552481677.db2.gz KTENSQIKUJMBIX-UHFFFAOYSA-N 1 0 376.444 2.944 20 0 GFADRO C[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1cccnc1-c1ccc(Cl)s1 ZINC000189942671 552483279 /nfs/dbraw/zinc/48/32/79/552483279.db2.gz YBAHBNBTORBHBB-LLVKDONJSA-N 1 0 378.885 2.612 20 0 GFADRO Cc1cc(NC(=O)C(=O)N[C@@H](C)C[NH+]2CCCCC2)cc(C)c1Br ZINC000190311738 552492531 /nfs/dbraw/zinc/49/25/31/552492531.db2.gz COVZHLRXSUOUFE-AWEZNQCLSA-N 1 0 396.329 2.995 20 0 GFADRO Cc1nn(C)c(Cl)c1S(=O)(=O)N(c1ccccc1)C1CC[NH+](C)CC1 ZINC000190385677 552494406 /nfs/dbraw/zinc/49/44/06/552494406.db2.gz IIRNMSKFKTZAKU-UHFFFAOYSA-N 1 0 382.917 2.671 20 0 GFADRO COc1cc(Br)ccc1[C@H](C)[NH2+]CC(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000190432635 552496117 /nfs/dbraw/zinc/49/61/17/552496117.db2.gz BTGRLAMUJBUQHX-UPJWGTAASA-N 1 0 385.302 2.744 20 0 GFADRO CS(=O)(=O)N1CC[C@@H](C[NH2+][C@@H](c2ccc(Br)s2)C2CC2)C1 ZINC000190653422 552504713 /nfs/dbraw/zinc/50/47/13/552504713.db2.gz DGSKPFNXSWBUPQ-IINYFYTJSA-N 1 0 393.372 2.833 20 0 GFADRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)Nc1cc(Cl)c(F)c(Cl)c1 ZINC000190801896 552509343 /nfs/dbraw/zinc/50/93/43/552509343.db2.gz HGZYEQNWYIJKHV-SNVBAGLBSA-N 1 0 376.259 2.871 20 0 GFADRO O=C(Cc1ccc(I)cc1)N1CCC([NH+]2CCCC2)CC1 ZINC000190924012 552513758 /nfs/dbraw/zinc/51/37/58/552513758.db2.gz AXZWXWBZKNIXGN-UHFFFAOYSA-N 1 0 398.288 2.921 20 0 GFADRO Cc1csc(C(=O)N2CCC[C@@H]([NH+](C)C)C2)c1I ZINC000190946696 552513908 /nfs/dbraw/zinc/51/39/08/552513908.db2.gz QZZBRTWIECPLEZ-SNVBAGLBSA-N 1 0 378.279 2.827 20 0 GFADRO CC(C)NS(=O)(=O)CC[NH2+]Cc1cc(Br)c(Cl)s1 ZINC000190959256 552514497 /nfs/dbraw/zinc/51/44/97/552514497.db2.gz BGOOEUZMZIFEMO-UHFFFAOYSA-N 1 0 375.741 2.581 20 0 GFADRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)Cc1ccc(I)cc1 ZINC000190948093 552514500 /nfs/dbraw/zinc/51/45/00/552514500.db2.gz UOTGQPLPLLHXFS-WFASDCNBSA-N 1 0 386.277 2.632 20 0 GFADRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)Cc1ccc(I)cc1 ZINC000190948071 552514521 /nfs/dbraw/zinc/51/45/21/552514521.db2.gz UOTGQPLPLLHXFS-DOMZBBRYSA-N 1 0 386.277 2.632 20 0 GFADRO COCCC[NH+]1CCC(NC(=O)Cc2cccc(Br)c2C)CC1 ZINC000191078582 552517846 /nfs/dbraw/zinc/51/78/46/552517846.db2.gz ZLNHJCYDMNKXJO-UHFFFAOYSA-N 1 0 383.330 2.917 20 0 GFADRO COCCN(C)c1ccc(C[NH2+][C@H](CO)c2cccc(Br)c2)cn1 ZINC000191354451 552525675 /nfs/dbraw/zinc/52/56/75/552525675.db2.gz DNRAYEYPUSZPLS-QGZVFWFLSA-N 1 0 394.313 2.750 20 0 GFADRO CCS(=O)(=O)CC[NH2+][C@H](c1cccc(Br)c1)C1CCOCC1 ZINC000191508858 552530178 /nfs/dbraw/zinc/53/01/78/552530178.db2.gz JBWGJUNTGWYVHK-INIZCTEOSA-N 1 0 390.343 2.941 20 0 GFADRO CCN(CCC[NH2+]Cc1cc(Br)c(Cl)s1)S(C)(=O)=O ZINC000191693941 552534776 /nfs/dbraw/zinc/53/47/76/552534776.db2.gz GGNKNURVJZELNI-UHFFFAOYSA-N 1 0 389.768 2.925 20 0 GFADRO C[C@H]1C[N@@H+](C2CCN(C(=O)c3cccc(Br)c3F)CC2)CCO1 ZINC000192083798 552550284 /nfs/dbraw/zinc/55/02/84/552550284.db2.gz JMJGQEJHXIPZHE-LBPRGKRZSA-N 1 0 385.277 2.914 20 0 GFADRO CN(CC[N@H+](C)C1CC1)S(=O)(=O)c1ccc(Cl)c(Br)c1 ZINC000192230237 552557297 /nfs/dbraw/zinc/55/72/97/552557297.db2.gz LBFXISOTTZFTQT-UHFFFAOYSA-N 1 0 381.723 2.817 20 0 GFADRO C[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)c(Br)c2)[C@@H]1C[NH3+] ZINC000192389651 552561311 /nfs/dbraw/zinc/56/13/11/552561311.db2.gz BOWSVMMGCRIZOD-NOZJJQNGSA-N 1 0 381.723 2.850 20 0 GFADRO CC[C@H](CO)[NH+]1CCN(C(=O)Nc2cc3c(cc2Br)CCC3)CC1 ZINC000192479810 552565312 /nfs/dbraw/zinc/56/53/12/552565312.db2.gz YZNUPYGQDLPAAY-OAHLLOKOSA-N 1 0 396.329 2.858 20 0 GFADRO Cc1ccc(NC(=O)C(=O)NC2CC[NH+](C(C)C)CC2)cc1Br ZINC000192651161 552568641 /nfs/dbraw/zinc/56/86/41/552568641.db2.gz SZUCHDBUZLVHGA-UHFFFAOYSA-N 1 0 382.302 2.685 20 0 GFADRO O=S(=O)(NCC[C@@H]1CC[NH2+]C1)c1cc(Cl)c(Br)cc1F ZINC000193265971 552988381 /nfs/dbraw/zinc/98/83/81/552988381.db2.gz MMCVHOILNXRGEI-QMMMGPOBSA-N 1 0 385.686 2.520 20 0 GFADRO CC(C)C[N@H+](CC(=O)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1)C(C)C ZINC000192849558 552976144 /nfs/dbraw/zinc/97/61/44/552976144.db2.gz XJWLETAOEOHLPE-MRXNPFEDSA-N 1 0 386.583 2.630 20 0 GFADRO COc1ccc(CNC(=O)[C@H]2COCCN2C2CCCC2)cc1Br ZINC000193071116 552982277 /nfs/dbraw/zinc/98/22/77/552982277.db2.gz KJLNQOIMNVPTBL-MRXNPFEDSA-N 1 0 397.313 2.717 20 0 GFADRO CCC[N@H+](CC)CCNC(=O)C(=O)Nc1ccc(Br)c(C)c1F ZINC000193073725 552982906 /nfs/dbraw/zinc/98/29/06/552982906.db2.gz YCQAHNZHZIYXPC-UHFFFAOYSA-N 1 0 388.281 2.683 20 0 GFADRO O=C(CNC(=O)NC[C@H]1CC[N@@H+](C2CC2)C1)Nc1cc(Cl)ccc1Cl ZINC000193098032 552983380 /nfs/dbraw/zinc/98/33/80/552983380.db2.gz AVGRVRISXIUVFW-LLVKDONJSA-N 1 0 385.295 2.715 20 0 GFADRO C[C@@H](O)C[N@@H+]1CCN(C(=O)Cc2csc(-c3ccc(Cl)s3)n2)[C@H](C)C1 ZINC000193146971 552984817 /nfs/dbraw/zinc/98/48/17/552984817.db2.gz QHNXPDOIAYUCLS-VXGBXAGGSA-N 1 0 399.969 2.981 20 0 GFADRO CCN(CCC[NH2+][C@@H]1CCc2ccc(Br)cc21)S(C)(=O)=O ZINC000193160367 552985178 /nfs/dbraw/zinc/98/51/78/552985178.db2.gz MNGONXGYYPFJQZ-OAHLLOKOSA-N 1 0 375.332 2.698 20 0 GFADRO O=S(=O)(c1ccc(Br)c(Cl)c1Cl)N1CCC[NH2+]CC1 ZINC000193232734 552986696 /nfs/dbraw/zinc/98/66/96/552986696.db2.gz YIWVGBOQWWTBJO-UHFFFAOYSA-N 1 0 388.114 2.740 20 0 GFADRO COc1cc(Cl)c(S(=O)(=O)N(CC[NH3+])Cc2ccccc2)cc1OC ZINC000193316276 552990162 /nfs/dbraw/zinc/99/01/62/552990162.db2.gz NNNPAXQBCXXOIB-UHFFFAOYSA-N 1 0 384.885 2.507 20 0 GFADRO C[NH+](C)CCn1c(=O)oc2ccc(NC(=O)c3ccoc3Br)cc21 ZINC000193491335 552994662 /nfs/dbraw/zinc/99/46/62/552994662.db2.gz YJYKHWXNHSEMQR-UHFFFAOYSA-N 1 0 394.225 2.764 20 0 GFADRO C[N@H+](CCSCC(=O)NC(=O)NCc1cccs1)Cc1ccccc1 ZINC000193625147 552998824 /nfs/dbraw/zinc/99/88/24/552998824.db2.gz MUIKDYZVEQOJQX-UHFFFAOYSA-N 1 0 377.535 2.939 20 0 GFADRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)c1nn(-c2ccc(F)cc2)cc1Br ZINC000193646148 552999310 /nfs/dbraw/zinc/99/93/10/552999310.db2.gz WGWMHGPIBLHBJH-HZMBPMFUSA-N 1 0 381.249 2.644 20 0 GFADRO COc1cc(C[NH2+][C@H]2C(=O)NCC[C@@H]2C)cc(Br)c1OC(F)F ZINC000193679608 552999940 /nfs/dbraw/zinc/99/99/40/552999940.db2.gz NYSJGGKEMQDNRC-QPUJVOFHSA-N 1 0 393.228 2.673 20 0 GFADRO CC(C)NS(=O)(=O)CC[NH2+]C1CC(c2ccc(Br)cc2)C1 ZINC000194091462 553011849 /nfs/dbraw/zinc/01/18/49/553011849.db2.gz OQHHRCIFSCCNLF-UHFFFAOYSA-N 1 0 375.332 2.613 20 0 GFADRO O=C([C@@H]1Cc2cc(Br)ccc2O1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000194341475 553018074 /nfs/dbraw/zinc/01/80/74/553018074.db2.gz PUDXJBSHTXPJNB-DYVFJYSZSA-N 1 0 379.298 2.697 20 0 GFADRO O=C(CCCCc1ccc(I)cc1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000195251200 553042510 /nfs/dbraw/zinc/04/25/10/553042510.db2.gz DWQQZUIOCNPKJH-GASCZTMLSA-N 1 0 398.288 2.682 20 0 GFADRO O=C(Nc1cc(Br)ccc1-n1cncn1)C1CC[NH+](C2CC2)CC1 ZINC000195397418 553047065 /nfs/dbraw/zinc/04/70/65/553047065.db2.gz RQLLTMXFRFGYQA-UHFFFAOYSA-N 1 0 390.285 2.843 20 0 GFADRO Cc1cccc(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)c1I ZINC000223499521 553056243 /nfs/dbraw/zinc/05/62/43/553056243.db2.gz OPVMSXLMTCYXGW-LBPRGKRZSA-N 1 0 384.261 2.814 20 0 GFADRO Cc1cccc(C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c1I ZINC000230072055 553064275 /nfs/dbraw/zinc/06/42/75/553064275.db2.gz DAAALZLKRKNIAW-IACUBPJLSA-N 1 0 384.261 2.799 20 0 GFADRO CC(C)[NH+](CCNC(=O)c1ccc(I)c(O)c1)C(C)C ZINC000230886957 553065526 /nfs/dbraw/zinc/06/55/26/553065526.db2.gz FQRAHXAOZSBNEZ-UHFFFAOYSA-N 1 0 390.265 2.845 20 0 GFADRO O=C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1[nH]nc(-c2ccccc2)c1Br ZINC000236594517 553069846 /nfs/dbraw/zinc/06/98/46/553069846.db2.gz YLZZCIKDEPMBGL-FUNVUKJBSA-N 1 0 375.270 2.852 20 0 GFADRO O=C(NC[C@@H]1CCC[NH2+]C1)C1(c2ccc(Br)cc2)CCOCC1 ZINC000236676811 553070358 /nfs/dbraw/zinc/07/03/58/553070358.db2.gz GYHAIJCIRJYMJA-CQSZACIVSA-N 1 0 381.314 2.613 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000236827868 553071520 /nfs/dbraw/zinc/07/15/20/553071520.db2.gz FCLGFVYXBYIQRK-CABCVRRESA-N 1 0 384.567 2.548 20 0 GFADRO COc1ccc(Br)cc1C(=O)CCC(=O)N1CCC(C[NH3+])CC1 ZINC000237109023 553074713 /nfs/dbraw/zinc/07/47/13/553074713.db2.gz KDBUNUDSHJZIFN-UHFFFAOYSA-N 1 0 383.286 2.618 20 0 GFADRO C[NH2+]C[C@H](C)CNC(=O)c1nn(-c2cccc(Br)c2)c2c1CCC2 ZINC000237205928 553075870 /nfs/dbraw/zinc/07/58/70/553075870.db2.gz KMGRAGLYQHKNQR-LBPRGKRZSA-N 1 0 391.313 2.709 20 0 GFADRO C[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CC(=O)N(c3cc(Cl)cc(Cl)c3)C2)C1 ZINC000237237200 553076020 /nfs/dbraw/zinc/07/60/20/553076020.db2.gz MDMZATFQMAIVKE-STQMWFEESA-N 1 0 384.307 2.804 20 0 GFADRO COc1cc(C[NH2+]C[C@@H]2CCCCO2)cc(I)c1OC ZINC000237238991 553076134 /nfs/dbraw/zinc/07/61/34/553076134.db2.gz JOVVPNDDGIAAJE-LBPRGKRZSA-N 1 0 391.249 2.967 20 0 GFADRO CSCC[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)NC[C@H](C)C[NH3+] ZINC000237339628 553077196 /nfs/dbraw/zinc/07/71/96/553077196.db2.gz ZARISUKHKFZINS-YGRLFVJLSA-N 1 0 392.352 2.556 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)Cc2csc(NC(=O)c3cccs3)n2)C1 ZINC000237343701 553077201 /nfs/dbraw/zinc/07/72/01/553077201.db2.gz ZYVIDSGQSRXMEW-NEPJUHHUSA-N 1 0 378.523 2.585 20 0 GFADRO C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000237467669 553078202 /nfs/dbraw/zinc/07/82/02/553078202.db2.gz BRCYTWJKWSPCEP-GHMZBOCLSA-N 1 0 375.694 2.986 20 0 GFADRO C[C@](C[NH3+])(NC(=O)CCC[S@@](=O)c1ccc(Br)cc1)C1CC1 ZINC000237586945 553079381 /nfs/dbraw/zinc/07/93/81/553079381.db2.gz BRKOEQFIYUBDMN-OPAMFIHVSA-N 1 0 387.343 2.581 20 0 GFADRO Cc1cc(C(=O)NC[C@@H]2CCC[NH2+]C2)nn1-c1ccc(Br)cc1 ZINC000237739152 553081216 /nfs/dbraw/zinc/08/12/16/553081216.db2.gz TYUMDPGKWFNVRK-CYBMUJFWSA-N 1 0 377.286 2.673 20 0 GFADRO Cc1c(C(=O)N2CCC[C@H](C[NH3+])C2)cnn1-c1ccc(Br)cc1 ZINC000237754475 553081901 /nfs/dbraw/zinc/08/19/01/553081901.db2.gz HBKCIHXAJWWNKV-CYBMUJFWSA-N 1 0 377.286 2.754 20 0 GFADRO O=C(CCCCCc1ccc(I)cc1)N1CC[NH2+]CC1 ZINC000237808413 553082100 /nfs/dbraw/zinc/08/21/00/553082100.db2.gz AXRZMCPLRJTZTB-UHFFFAOYSA-N 1 0 386.277 2.826 20 0 GFADRO O=C(N[C@H]1CCc2c1ccc(Cl)c2Cl)c1cn(C2CC[NH2+]CC2)nn1 ZINC000237798100 553082143 /nfs/dbraw/zinc/08/21/43/553082143.db2.gz LOENTQGNCOSZLZ-AWEZNQCLSA-N 1 0 380.279 2.927 20 0 GFADRO O=C(NCC[C@H]1CCC[NH2+]C1)c1ccc(S(=O)(=O)c2ccccc2)s1 ZINC000237882859 553083390 /nfs/dbraw/zinc/08/33/90/553083390.db2.gz SYYYXDQLNDHTFW-CQSZACIVSA-N 1 0 378.519 2.700 20 0 GFADRO [NH3+]C1(C(=O)N[C@@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)CCCC1 ZINC000237945052 553083801 /nfs/dbraw/zinc/08/38/01/553083801.db2.gz UPSNHYSYQYSDKL-LLVKDONJSA-N 1 0 376.810 2.720 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H]1C(=O)NCC1(c2cccc(Br)c2)CCOCC1 ZINC000237916131 553084039 /nfs/dbraw/zinc/08/40/39/553084039.db2.gz SBJDATKFKPGJAG-JKSUJKDBSA-N 1 0 381.314 2.741 20 0 GFADRO O=C(CSc1cccs1)Nc1ccc(C(=O)NCC[NH2+]C2CC2)cc1 ZINC000238033747 553085196 /nfs/dbraw/zinc/08/51/96/553085196.db2.gz KZUOORMKLRIHPH-UHFFFAOYSA-N 1 0 375.519 2.961 20 0 GFADRO C[C@H](C(=O)NCCNC(=O)c1ccc(Br)cc1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000245203124 553089302 /nfs/dbraw/zinc/08/93/02/553089302.db2.gz ZOKWNPFUVYRMKW-HZSPNIEDSA-N 1 0 396.329 2.556 20 0 GFADRO Cc1nc(SCCC(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)n[nH]1 ZINC000245445990 553090696 /nfs/dbraw/zinc/09/06/96/553090696.db2.gz ZJEVEDWLTUQVHU-XJKSGUPXSA-N 1 0 379.555 2.856 20 0 GFADRO Cc1ccc(Br)c(NC(=O)C(=O)N[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000245571555 553093466 /nfs/dbraw/zinc/09/34/66/553093466.db2.gz BTXUARHKIMHEFF-KGLIPLIRSA-N 1 0 396.329 2.933 20 0 GFADRO CN1CCO[C@H]([C@@H](NC(=O)c2ncncc2Cl)c2ccc(Cl)cc2)C1 ZINC000245742866 553096135 /nfs/dbraw/zinc/09/61/35/553096135.db2.gz MAIBOJLZPXADMH-GJZGRUSLSA-N 1 0 381.263 2.585 20 0 GFADRO COC(=O)C[C@@H]1CSCCN1[C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000245741988 553096142 /nfs/dbraw/zinc/09/61/42/553096142.db2.gz FDFHSXQQLDGTTI-DOMZBBRYSA-N 1 0 386.876 2.565 20 0 GFADRO CCN(C)S(=O)(=O)N[C@@H]1CCN(C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000246001079 553101018 /nfs/dbraw/zinc/10/10/18/553101018.db2.gz ZSCKQPORQQETHJ-CVEARBPZSA-N 1 0 377.913 2.789 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2ccccc2Br)[C@@H](C)C1 ZINC000246146206 553103550 /nfs/dbraw/zinc/10/35/50/553103550.db2.gz KTYULXRVWPVORV-GXTWGEPZSA-N 1 0 375.332 2.800 20 0 GFADRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)S(=O)(=O)c1cc(Br)ccc1F ZINC000246269317 553105036 /nfs/dbraw/zinc/10/50/36/553105036.db2.gz UVVRXGZNSNQCIT-ZWNOBZJWSA-N 1 0 379.295 2.549 20 0 GFADRO CCC[N@H+](C[C@@H](O)Cc1ccc(C(F)(F)F)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000246299894 553105917 /nfs/dbraw/zinc/10/59/17/553105917.db2.gz AKWFKOBBUNDCCQ-HOTGVXAUSA-N 1 0 379.444 2.508 20 0 GFADRO Cc1cc(S(=O)(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)sc1Br ZINC000246470129 553107558 /nfs/dbraw/zinc/10/75/58/553107558.db2.gz KFPVJYMGIGJKOL-GHMZBOCLSA-N 1 0 381.361 2.780 20 0 GFADRO O[C@H](COc1ccc(Cl)cc1Cl)C[N@@H+]1CCS[C@@H]2COCC[C@@H]21 ZINC000246749407 553113015 /nfs/dbraw/zinc/11/30/15/553113015.db2.gz HDGHEOKWZLFXDD-DUVNUKRYSA-N 1 0 378.321 2.939 20 0 GFADRO O=S(=O)(CCN1CC[C@@H]2OCCC[C@H]2C1)c1cccc(Br)c1 ZINC000246999158 553117234 /nfs/dbraw/zinc/11/72/34/553117234.db2.gz YRZVWPAXULFEPL-BBRMVZONSA-N 1 0 388.327 2.724 20 0 GFADRO CC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)C1 ZINC000247216562 553119898 /nfs/dbraw/zinc/11/98/98/553119898.db2.gz SHBQHFVDWMZAHI-TZMCWYRMSA-N 1 0 384.307 2.804 20 0 GFADRO C[N@@H+]1CCC[C@H]2CN(S(=O)(=O)c3ccc(OC(F)(F)F)cc3)CC[C@H]21 ZINC000247245350 553119938 /nfs/dbraw/zinc/11/99/38/553119938.db2.gz ZEMZBUNFBNXUDQ-SWLSCSKDSA-N 1 0 378.416 2.690 20 0 GFADRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)Nc2nnc(C(F)F)s2)[C@@H](C)C1 ZINC000247225256 553120278 /nfs/dbraw/zinc/12/02/78/553120278.db2.gz NLTHGHVCUCWQDS-WDEREUQCSA-N 1 0 377.461 2.734 20 0 GFADRO CCC(=O)N1CSC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000247454244 553122228 /nfs/dbraw/zinc/12/22/28/553122228.db2.gz QLRLCSGIDVQGSK-JJRVBVJISA-N 1 0 381.567 2.559 20 0 GFADRO C[C@H](O)C[N@@H+]1CCN(CC(=O)Nc2cc(Cl)c(Cl)cc2Cl)C[C@@H]1C ZINC000247870016 553125828 /nfs/dbraw/zinc/12/58/28/553125828.db2.gz XKHWKZJSYRGBPV-QWRGUYRKSA-N 1 0 394.730 2.972 20 0 GFADRO CN(Cc1ccccc1Br)C(=O)CN1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000247959148 553126468 /nfs/dbraw/zinc/12/64/68/553126468.db2.gz FZUAHYGXWUTSNK-FUHWJXTLSA-N 1 0 394.357 2.824 20 0 GFADRO O[C@@H]1C[C@@H](C[NH2+]Cc2cncc(Br)c2)N(Cc2ccccc2)C1 ZINC000248633137 553132609 /nfs/dbraw/zinc/13/26/09/553132609.db2.gz SZJAGSQAUVSORN-ZWKOTPCHSA-N 1 0 376.298 2.569 20 0 GFADRO Cc1cc(Br)ccc1S(=O)(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000248735288 553133808 /nfs/dbraw/zinc/13/38/08/553133808.db2.gz QSUQPXCQODYHDK-DZGCQCFKSA-N 1 0 387.343 2.862 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2cccc(Br)c2)[C@@H](C)C1 ZINC000249192411 553141143 /nfs/dbraw/zinc/14/11/43/553141143.db2.gz PMCZTYOHGSYHST-SWLSCSKDSA-N 1 0 382.302 2.576 20 0 GFADRO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000249628277 553145088 /nfs/dbraw/zinc/14/50/88/553145088.db2.gz UNYMMBQFBPQZQD-BFHYXJOUSA-N 1 0 390.933 2.502 20 0 GFADRO CC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CC(=O)N(c3cc(Cl)cc(Cl)c3)C2)C1 ZINC000249763998 553146303 /nfs/dbraw/zinc/14/63/03/553146303.db2.gz HTINBRYZOXABHB-STQMWFEESA-N 1 0 384.307 2.804 20 0 GFADRO CC[NH+]1CCN([C@H](C)CNC(=O)[C@@H]2C[C@H]2c2cccc(Br)c2)CC1 ZINC000250571738 553147865 /nfs/dbraw/zinc/14/78/65/553147865.db2.gz XMFSBTWWPGRVBQ-FHLIZLRMSA-N 1 0 394.357 2.695 20 0 GFADRO Cc1cc(NC(=O)C(=O)N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)ccc1Br ZINC000250641834 553147884 /nfs/dbraw/zinc/14/78/84/553147884.db2.gz UZJSCLVYVANYKH-TZMCWYRMSA-N 1 0 396.329 2.933 20 0 GFADRO Cc1cc(S(=O)(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)sc1Br ZINC000252874934 553150337 /nfs/dbraw/zinc/15/03/37/553150337.db2.gz VLNLFWICDOXQDE-DCAQKATOSA-N 1 0 379.345 2.567 20 0 GFADRO Cc1ccc(S(=O)(=O)NC[C@H]2[NH2+]CCc3ccccc32)c(Br)c1 ZINC000261615968 553154145 /nfs/dbraw/zinc/15/41/45/553154145.db2.gz BQFCBCVKPCOEJL-MRXNPFEDSA-N 1 0 395.322 2.923 20 0 GFADRO CCO[C@H]1C[C@]([NH3+])(C(=O)N(C)Cc2cc(Br)ccc2OC)C1(C)C ZINC000261638223 553155078 /nfs/dbraw/zinc/15/50/78/553155078.db2.gz IDMZUMIDOQBJHA-YJBOKZPZSA-N 1 0 399.329 2.949 20 0 GFADRO O=C(c1cc(F)ccc1I)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000261657284 553155381 /nfs/dbraw/zinc/15/53/81/553155381.db2.gz BVXVZCLIVUKFGU-PHIMTYICSA-N 1 0 388.224 2.502 20 0 GFADRO O=C(c1ccc(F)cc1I)N1CCC2(CC[NH2+]C2)CC1 ZINC000261638931 553155423 /nfs/dbraw/zinc/15/54/23/553155423.db2.gz AOECKWPZZNFVQL-UHFFFAOYSA-N 1 0 388.224 2.646 20 0 GFADRO COc1ccc(CN2CC[NH2+]C[C@@H]2c2cccnc2)c(Br)c1O ZINC000261676061 553155560 /nfs/dbraw/zinc/15/55/60/553155560.db2.gz JLZXAKMODATJBS-CQSZACIVSA-N 1 0 378.270 2.705 20 0 GFADRO CCN(CC)S(=O)(=O)c1cc(-c2nc(C[C@@H](C)[NH2+]C)no2)ccc1Cl ZINC000261660067 553156137 /nfs/dbraw/zinc/15/61/37/553156137.db2.gz FPFGQJDBNSSEBK-LLVKDONJSA-N 1 0 386.905 2.571 20 0 GFADRO C[NH2+][C@@H](C)Cc1noc([C@@H]2CC(=O)N(c3cccc(Br)c3)C2)n1 ZINC000261737106 553157208 /nfs/dbraw/zinc/15/72/08/553157208.db2.gz KTSZKATWXDORHZ-WDEREUQCSA-N 1 0 379.258 2.503 20 0 GFADRO COc1cc(Br)c(CN2CC[NH2+]C[C@@H]2c2cccnc2)cc1O ZINC000261741389 553157953 /nfs/dbraw/zinc/15/79/53/553157953.db2.gz PFKFWGOJJZLFEU-OAHLLOKOSA-N 1 0 378.270 2.705 20 0 GFADRO COc1cc(Br)c(CN2CC[NH2+]C[C@H]2c2cccnc2)cc1O ZINC000261741384 553157985 /nfs/dbraw/zinc/15/79/85/553157985.db2.gz PFKFWGOJJZLFEU-HNNXBMFYSA-N 1 0 378.270 2.705 20 0 GFADRO C[NH2+][C@@H](C)Cc1noc(/C=C/c2cc(Br)c3c(c2)OCCO3)n1 ZINC000261746981 553158056 /nfs/dbraw/zinc/15/80/56/553158056.db2.gz LMEGNGYBISIRKQ-FSIBCCDJSA-N 1 0 380.242 2.924 20 0 GFADRO C[C@@H](NS(=O)(=O)c1c(Cl)cccc1Br)[C@@H]1CCC[NH2+]C1 ZINC000261765277 553158717 /nfs/dbraw/zinc/15/87/17/553158717.db2.gz OEAPEKDNCWSBNV-NXEZZACHSA-N 1 0 381.723 2.769 20 0 GFADRO [NH3+]C[C@H]1CCC[C@H]1C(=O)N1CCN(C(=O)c2cccc(Cl)c2Cl)CC1 ZINC000261783409 553159363 /nfs/dbraw/zinc/15/93/63/553159363.db2.gz PNMYKAOWKUCUFS-CHWSQXEVSA-N 1 0 384.307 2.653 20 0 GFADRO Cc1ccc(Br)c(S(=O)(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)c1 ZINC000261783751 553159396 /nfs/dbraw/zinc/15/93/96/553159396.db2.gz UGQFUQIJYSTRAA-GOEBONIOSA-N 1 0 395.322 2.873 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H]2CN(S(=O)(=O)c3ccc(OC(F)F)c(Cl)c3)C[C@H]21 ZINC000261798509 553159836 /nfs/dbraw/zinc/15/98/36/553159836.db2.gz ZSYIXLSSQQELNL-IRUJWGPZSA-N 1 0 380.844 2.689 20 0 GFADRO C[C@H](NC(=O)CN1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1)c1ccc(Br)cc1 ZINC000261864230 553160892 /nfs/dbraw/zinc/16/08/92/553160892.db2.gz KQMOYLCJGMTQCA-SDNTUTLCSA-N 1 0 380.330 2.686 20 0 GFADRO Cn1ccnc1[C@@H]1C[NH2+]CCN1Cc1cc(Br)cc2cccnc21 ZINC000261856364 553161341 /nfs/dbraw/zinc/16/13/41/553161341.db2.gz YSZHYVGVTQELHI-INIZCTEOSA-N 1 0 386.297 2.877 20 0 GFADRO CCCN([C@H]1CC[NH2+]C1)S(=O)(=O)c1c(Cl)cccc1Br ZINC000261872167 553161801 /nfs/dbraw/zinc/16/18/01/553161801.db2.gz ZGOOEBIJVFRTRX-JTQLQIEISA-N 1 0 381.723 2.865 20 0 GFADRO [NH3+][C@H](CNC(=O)Cc1csc(-c2cccc(Br)c2)n1)C1CC1 ZINC000261899919 553162306 /nfs/dbraw/zinc/16/23/06/553162306.db2.gz DSLYMKXKUUBOBN-CQSZACIVSA-N 1 0 380.311 2.969 20 0 GFADRO O=C(N[C@@H]1CCN(c2ccc(Br)cc2)C1)[C@H]1CC12CC[NH2+]CC2 ZINC000261909919 553162451 /nfs/dbraw/zinc/16/24/51/553162451.db2.gz GQRULGZRGSFGPE-GDBMZVCRSA-N 1 0 378.314 2.534 20 0 GFADRO CN(Cc1ccccc1Br)C(=O)[C@]1([NH3+])[C@@H]2CCCO[C@@H]2C1(C)C ZINC000261919565 553163017 /nfs/dbraw/zinc/16/30/17/553163017.db2.gz RJELQKVXCYSMGN-QIIPPGSGSA-N 1 0 381.314 2.940 20 0 GFADRO CN(Cc1ccc(Br)cc1)C(=O)[C@]1([NH3+])[C@H]2CCCO[C@@H]2C1(C)C ZINC000261943384 553163634 /nfs/dbraw/zinc/16/36/34/553163634.db2.gz VBQZYEMAIILPRI-RLFYNMQTSA-N 1 0 381.314 2.940 20 0 GFADRO Fc1ccc(I)c(F)c1CN1CC[C@@]2(CC[NH2+]C2)C1 ZINC000262112427 553166020 /nfs/dbraw/zinc/16/60/20/553166020.db2.gz WOPZFZMHLPBIOS-CQSZACIVSA-N 1 0 378.204 2.755 20 0 GFADRO C[C@H](Sc1ccccc1Cl)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000262183382 553166978 /nfs/dbraw/zinc/16/69/78/553166978.db2.gz ZFOUKBADJMRXRS-FZMZJTMJSA-N 1 0 395.878 2.773 20 0 GFADRO CS(=O)(=O)C1(C(=O)Nc2ccc(SC3CCCC3)cc2)CC[NH2+]CC1 ZINC000262170848 553167044 /nfs/dbraw/zinc/16/70/44/553167044.db2.gz KDHUJIKJBPGOPN-UHFFFAOYSA-N 1 0 382.551 2.827 20 0 GFADRO O=C(NC[C@H]1CCCN(Cc2cc(Br)cs2)C1)[C@H]1CCC[NH2+]1 ZINC000262301050 553168809 /nfs/dbraw/zinc/16/88/09/553168809.db2.gz OPMCPKWVEOZRCH-IUODEOHRSA-N 1 0 386.359 2.591 20 0 GFADRO O=S(=O)(c1ccc(OC(F)F)c(F)c1)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000262352503 553169709 /nfs/dbraw/zinc/16/97/09/553169709.db2.gz UPIFMKSQYYVXJQ-AWEZNQCLSA-N 1 0 378.416 2.580 20 0 GFADRO C[C@H](CNC(=O)[C@@H]([NH3+])Cc1ccccc1)Oc1cccc(Br)c1 ZINC000262452503 553170748 /nfs/dbraw/zinc/17/07/48/553170748.db2.gz GEFOWFCMOVDHCT-DYVFJYSZSA-N 1 0 377.282 2.903 20 0 GFADRO O=S(=O)(NC[C@H]1[NH2+]CCc2ccccc21)c1cccc(Br)c1 ZINC000262424459 553170960 /nfs/dbraw/zinc/17/09/60/553170960.db2.gz FHUYETKFXOFOEK-MRXNPFEDSA-N 1 0 381.295 2.614 20 0 GFADRO COCC1(C(=O)Nc2nnc(SCc3ccccc3)s2)CC[NH2+]CC1 ZINC000262448406 553170963 /nfs/dbraw/zinc/17/09/63/553170963.db2.gz ZDMONPUUGHYGBD-UHFFFAOYSA-N 1 0 378.523 2.785 20 0 GFADRO O=C(c1cc2c(c(Br)c1)OCO2)N1CCC([NH2+]CC2CC2)CC1 ZINC000262598861 553172989 /nfs/dbraw/zinc/17/29/89/553172989.db2.gz MXFMKUGBRSSCQA-UHFFFAOYSA-N 1 0 381.270 2.782 20 0 GFADRO COc1ccc(Br)c(NC(=O)c2nnn(C3CC[NH2+]CC3)c2C)c1 ZINC000262599008 553173043 /nfs/dbraw/zinc/17/30/43/553173043.db2.gz AUPVBYUIFJAJNI-UHFFFAOYSA-N 1 0 394.273 2.534 20 0 GFADRO Cc1cc(S(=O)(=O)N2CCC[C@@H]([C@H](C)[NH3+])C2)c(C)cc1Br ZINC000262759651 553175003 /nfs/dbraw/zinc/17/50/03/553175003.db2.gz RDBGIIDOAGCBEW-QWHCGFSZSA-N 1 0 375.332 2.814 20 0 GFADRO O=S(=O)(c1cc(Cl)c(Br)cc1F)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262780505 553175469 /nfs/dbraw/zinc/17/54/69/553175469.db2.gz OSQCMJGJZSKDQB-BDAKNGLRSA-N 1 0 397.697 2.757 20 0 GFADRO C[C@@H]1C[NH2+]CC[C@H]1NS(=O)(=O)c1ccc2cc(Br)ccc2c1 ZINC000262786203 553175648 /nfs/dbraw/zinc/17/56/48/553175648.db2.gz QIVJEIWJIFTTFF-BDJLRTHQSA-N 1 0 383.311 2.879 20 0 GFADRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)[C@@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1 ZINC000262793484 553176201 /nfs/dbraw/zinc/17/62/01/553176201.db2.gz NGISRVOXRXPIDH-LYRGGWFBSA-N 1 0 384.307 2.712 20 0 GFADRO [NH3+]Cc1cc(C(=O)NC2CCN(Cc3ccc(Br)cc3)CC2)co1 ZINC000262797798 553176376 /nfs/dbraw/zinc/17/63/76/553176376.db2.gz QAZSAMCUKDDJJB-UHFFFAOYSA-N 1 0 392.297 2.895 20 0 GFADRO CN(Cc1ccc(Br)cc1)C(=O)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000262835695 553176937 /nfs/dbraw/zinc/17/69/37/553176937.db2.gz SMOHRVXRGSXQDK-HNNXBMFYSA-N 1 0 377.286 2.842 20 0 GFADRO C[C@@]([NH3+])(C(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1)c1ccccc1 ZINC000262902412 553178510 /nfs/dbraw/zinc/17/85/10/553178510.db2.gz PTCJDVIBVHXCQW-SFHVURJKSA-N 1 0 379.291 2.911 20 0 GFADRO CCOc1cc(Br)c(CC(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)cc1OCC ZINC000262910623 553178522 /nfs/dbraw/zinc/17/85/22/553178522.db2.gz YMYJGBCWDJROEH-SWLSCSKDSA-N 1 0 399.329 2.903 20 0 GFADRO CO[C@H](C[NH3+])CC(=O)Nc1ccc(Oc2cccc(Br)c2)nc1 ZINC000262955646 553179677 /nfs/dbraw/zinc/17/96/77/553179677.db2.gz VYPGZLDEXVRHKW-AWEZNQCLSA-N 1 0 380.242 2.939 20 0 GFADRO CCCC(=O)N1CSC[C@@H]1C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000262989769 553180177 /nfs/dbraw/zinc/18/01/77/553180177.db2.gz OHRJRAHSKHDUTF-CYBMUJFWSA-N 1 0 375.416 2.804 20 0 GFADRO CCCN(CC(=O)Nc1ccc(Cl)cc1Cl)C(=O)C[C@@H](C[NH3+])OC ZINC000262974574 553180187 /nfs/dbraw/zinc/18/01/87/553180187.db2.gz XXYRYLXEWYOLLV-LBPRGKRZSA-N 1 0 376.284 2.534 20 0 GFADRO CN(CC(=O)Nc1ccccc1Br)C(=O)[C@@H]1CCCC[C@@]1(C)[NH3+] ZINC000263267118 553185358 /nfs/dbraw/zinc/18/53/58/553185358.db2.gz RRCNXVXTYRKKTD-YVEFUNNKSA-N 1 0 382.302 2.754 20 0 GFADRO COCC[N@@H+]1CC[C@@H](NC(=O)Nc2ccc(Br)c(Cl)c2)C1 ZINC000448330666 563896060 /nfs/dbraw/zinc/89/60/60/563896060.db2.gz FGGWGOKALHOCOO-LLVKDONJSA-N 1 0 376.682 2.945 20 0 GFADRO [NH3+]CCCN(CC1CCCC1)C(=O)NCCCn1cc(Br)cn1 ZINC000418191939 563900752 /nfs/dbraw/zinc/90/07/52/563900752.db2.gz LSTNILBSWTZNCA-UHFFFAOYSA-N 1 0 386.338 2.586 20 0 GFADRO O=S(=O)(NCCC[C@H]1CCC[NH2+]1)c1cc(Cl)ccc1Br ZINC000564083312 564219171 /nfs/dbraw/zinc/21/91/71/564219171.db2.gz FLAQSHDGPHRFNC-LLVKDONJSA-N 1 0 381.723 2.913 20 0 GFADRO C[C@H]1CSc2ccc(Br)cc2[C@H]1[NH2+]CCCNS(C)(=O)=O ZINC000539306802 564215462 /nfs/dbraw/zinc/21/54/62/564215462.db2.gz RBNIVQBLDQHUJG-HZMBPMFUSA-N 1 0 393.372 2.761 20 0 GFADRO C[C@H](CC(=O)NCCC[N@H+](C)CCN(C)C)c1ccc(Br)cc1 ZINC000564199020 564224720 /nfs/dbraw/zinc/22/47/20/564224720.db2.gz QVDFUWZYEZOPRR-OAHLLOKOSA-N 1 0 384.362 2.942 20 0 GFADRO CC[NH2+]CCCNC(=O)Nc1cc(F)c(F)cc1I ZINC000567029216 564354259 /nfs/dbraw/zinc/35/42/59/564354259.db2.gz OEFAHILDVVJNFN-UHFFFAOYSA-N 1 0 383.180 2.691 20 0 GFADRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1ccc(F)c(I)c1 ZINC000477780732 564387538 /nfs/dbraw/zinc/38/75/38/564387538.db2.gz RCLHIJCHXFYLTN-OTYXRUKQSA-N 1 0 388.224 2.643 20 0 GFADRO CC(C)(CO)CC[NH2+][C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000453274661 564452137 /nfs/dbraw/zinc/45/21/37/564452137.db2.gz KSMRNNRMIZHIQI-ZDUSSCGKSA-N 1 0 376.316 2.666 20 0 GFADRO Cc1ccc(F)c(Br)c1NC(=O)C(=O)N[C@H](C)C[N@@H+](C)C(C)C ZINC000453756636 564469186 /nfs/dbraw/zinc/46/91/86/564469186.db2.gz GLDUMSXDIMFIRP-LLVKDONJSA-N 1 0 388.281 2.680 20 0 GFADRO COc1ccc(I)c(NC(=O)NC(C)(C)C[NH+](C)C)c1 ZINC000454643235 564517271 /nfs/dbraw/zinc/51/72/71/564517271.db2.gz MWJBSSGBVRBTQC-UHFFFAOYSA-N 1 0 391.253 2.762 20 0 GFADRO [NH3+]CC1(CC(=O)NCc2cc(Cl)ccc2I)CC1 ZINC000595257282 565458575 /nfs/dbraw/zinc/45/85/75/565458575.db2.gz SHWHYLCOHMMELX-UHFFFAOYSA-N 1 0 378.641 2.690 20 0 GFADRO CCC([NH3+])(CC)CNC(=O)NC(C)(C)COc1ncccc1Br ZINC000418426855 563217332 /nfs/dbraw/zinc/21/73/32/563217332.db2.gz NBPRMHWKSFUKSX-UHFFFAOYSA-N 1 0 387.322 2.818 20 0 GFADRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1ccc(I)cc1F ZINC000296026257 563271157 /nfs/dbraw/zinc/27/11/57/563271157.db2.gz ZMFBQVWWPXOIMK-HZMBPMFUSA-N 1 0 390.240 2.843 20 0 GFADRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2S(=O)(=O)Cc2cccc(C(F)(F)F)c2)C1 ZINC000427793931 563475266 /nfs/dbraw/zinc/47/52/66/563475266.db2.gz QBLKNVRFZCCMJA-GOEBONIOSA-N 1 0 376.444 2.951 20 0 GFADRO CC(C)[C@H](C(=O)NCc1c(Br)cncc1Br)[NH+](C)C ZINC000295680991 563258034 /nfs/dbraw/zinc/25/80/34/563258034.db2.gz IQQIRUJTECBCBD-GFCCVEGCSA-N 1 0 393.123 2.809 20 0 GFADRO Cc1nc(CNC(=O)NCCC[NH2+]Cc2cccnc2)sc1Br ZINC000418230364 563214325 /nfs/dbraw/zinc/21/43/25/563214325.db2.gz AAPXLUBFBCSWMP-UHFFFAOYSA-N 1 0 398.330 2.588 20 0 GFADRO C[C@](O)(CN1CCO[C@@]2(CCOC2)C1)c1ccc(Br)cc1Cl ZINC000294729666 563214475 /nfs/dbraw/zinc/21/44/75/563214475.db2.gz WFNWHYYARSKACR-HOTGVXAUSA-N 1 0 390.705 2.801 20 0 GFADRO CO[C@@H]1CCN(C(=O)NC/C=C/c2ccc(Br)cc2)[C@H](C[NH3+])C1 ZINC000418265826 563214578 /nfs/dbraw/zinc/21/45/78/563214578.db2.gz LDWFOPRZJIINFY-TWTBHFKPSA-N 1 0 382.302 2.610 20 0 GFADRO C[C@@H]1CCN(C(=O)NCc2nc3c(cccc3Br)[nH]2)[C@@H](C[NH3+])C1 ZINC000418274722 563214938 /nfs/dbraw/zinc/21/49/38/563214938.db2.gz YHJUZZCGSRPFKH-GHMZBOCLSA-N 1 0 380.290 2.594 20 0 GFADRO [NH3+]C[C@@H](NC(=O)NCc1nc2c(cccc2Br)[nH]1)C1CCCC1 ZINC000418263566 563214964 /nfs/dbraw/zinc/21/49/64/563214964.db2.gz JRHGXLRERGMONM-CYBMUJFWSA-N 1 0 380.290 2.642 20 0 GFADRO CCCN(Cc1ccccc1Br)C(=O)NCCCN1CC[NH2+]CC1 ZINC000418285846 563215340 /nfs/dbraw/zinc/21/53/40/563215340.db2.gz GNTNGKXFYODUHU-UHFFFAOYSA-N 1 0 397.361 2.666 20 0 GFADRO C[C@H]1c2cc(Cl)c(Cl)cc2CCN1C(=O)NCCCN1CC[NH2+]CC1 ZINC000418303456 563215606 /nfs/dbraw/zinc/21/56/06/563215606.db2.gz VTUHSRFXZKPGKC-ZDUSSCGKSA-N 1 0 385.339 2.917 20 0 GFADRO Cc1ccc(CN(C[C@H]2CCCO2)C(=O)NCCC[NH3+])c(Br)c1 ZINC000418366196 563216502 /nfs/dbraw/zinc/21/65/02/563216502.db2.gz YLVIBYIAJLSTNI-OAHLLOKOSA-N 1 0 384.318 2.797 20 0 GFADRO COc1ccc(S(=O)(=O)NC[C@H]2CC[N@H+](C)[C@H]2c2cccs2)cc1F ZINC000369540332 563216493 /nfs/dbraw/zinc/21/64/93/563216493.db2.gz NGCCSJGRRLPGGN-SJKOYZFVSA-N 1 0 384.498 2.867 20 0 GFADRO [NH3+]C[C@@H](NC(=O)N1CCC[C@@H]1c1ccccc1I)C1CC1 ZINC000418391146 563216667 /nfs/dbraw/zinc/21/66/67/563216667.db2.gz BUJAHZQFMTVVHZ-HUUCEWRRSA-N 1 0 399.276 2.875 20 0 GFADRO C[C@H](NC(=O)c1cccs1)C(=O)NC[C@H]1CC[N@H+](C)[C@H]1c1cccs1 ZINC000369552708 563216939 /nfs/dbraw/zinc/21/69/39/563216939.db2.gz WRFFSPJYWQQUTN-WOSRLPQWSA-N 1 0 377.535 2.737 20 0 GFADRO C[C@H](C[NH3+])CNC(=O)N1CCC(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000418483998 563218633 /nfs/dbraw/zinc/21/86/33/563218633.db2.gz GCFNDBTUDJMSLH-LLVKDONJSA-N 1 0 387.311 2.948 20 0 GFADRO CCN(CCOc1ccc(Br)cc1)C(=O)N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000418599682 563220838 /nfs/dbraw/zinc/22/08/38/563220838.db2.gz JQIUEWGRLKXULR-DZGCQCFKSA-N 1 0 384.318 3.000 20 0 GFADRO CC[NH2+][C@H](C)CNC(=O)N1CCO[C@@H](c2ccc(Br)cc2)[C@H]1C ZINC000418595862 563220993 /nfs/dbraw/zinc/22/09/93/563220993.db2.gz XIIUSTDTSHRGFT-XJKCOSOUSA-N 1 0 384.318 2.919 20 0 GFADRO COc1cc(Br)c(CN2CC[N@@H+](C3CCOCC3)C[C@@H]2C)cc1O ZINC000369662602 563221136 /nfs/dbraw/zinc/22/11/36/563221136.db2.gz FZRRGUJVZDHZDA-ZDUSSCGKSA-N 1 0 399.329 2.848 20 0 GFADRO CO[C@H](C[NH3+])CC(=O)N1CCCC[C@@H]1C(=O)Nc1cc(Cl)ccc1Cl ZINC000369663399 563221214 /nfs/dbraw/zinc/22/12/14/563221214.db2.gz LFBJDDLIDUGACS-SWLSCSKDSA-N 1 0 388.295 2.677 20 0 GFADRO C[C@H]([NH3+])[C@H](C)NC(=O)N1CCC(C(=O)Nc2cccc(Br)c2)CC1 ZINC000418694547 563222944 /nfs/dbraw/zinc/22/29/44/563222944.db2.gz IBGLXGSKSXSENQ-RYUDHWBXSA-N 1 0 397.317 2.545 20 0 GFADRO CC[N@H+](CCNCc1cc(Br)ccc1O[C@H](C)C(=O)NC)C1CC1 ZINC000294952410 563223082 /nfs/dbraw/zinc/22/30/82/563223082.db2.gz FMGXUXFHVWJEFS-CYBMUJFWSA-N 1 0 398.345 2.536 20 0 GFADRO Cc1c(Br)cccc1C(=O)NC[C@@H]1CCC[C@H]1[NH+]1CCOCC1 ZINC000369727759 563223246 /nfs/dbraw/zinc/22/32/46/563223246.db2.gz QOWHHWAODFJJRF-WMLDXEAASA-N 1 0 381.314 2.988 20 0 GFADRO C[N@H+]1CC=C(CNC(=O)C2CCN(C(=O)c3ccc(Cl)s3)CC2)CC1 ZINC000369746897 563223576 /nfs/dbraw/zinc/22/35/76/563223576.db2.gz ZPSKGSFOETXLHX-UHFFFAOYSA-N 1 0 381.929 2.632 20 0 GFADRO CC[C@@H]([NH3+])CNC(=O)N[C@H](CO)c1ccc(Br)cc1C(F)(F)F ZINC000418724946 563223549 /nfs/dbraw/zinc/22/35/49/563223549.db2.gz KLYKMYLUXFCULO-BXKDBHETSA-N 1 0 398.223 2.538 20 0 GFADRO CC(C)(COc1ncccc1Br)NC(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000418728010 563223660 /nfs/dbraw/zinc/22/36/60/563223660.db2.gz QUXYFBYBGTVSMN-CHWSQXEVSA-N 1 0 399.333 2.818 20 0 GFADRO CCN1CC[NH+](CCCCNC(=O)[C@H](O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000294970108 563223683 /nfs/dbraw/zinc/22/36/83/563223683.db2.gz QKYDQKQVNPGNKK-QGZVFWFLSA-N 1 0 388.339 2.561 20 0 GFADRO COc1cc(Br)c(C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)cc1OC ZINC000294974246 563223768 /nfs/dbraw/zinc/22/37/68/563223768.db2.gz LGKQBIHHMGKQAF-FZMZJTMJSA-N 1 0 383.286 2.633 20 0 GFADRO CN(CCc1ccc(Br)cc1)C(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000418755040 563224078 /nfs/dbraw/zinc/22/40/78/563224078.db2.gz WZXMSPWATBSDSU-ZDUSSCGKSA-N 1 0 376.245 2.630 20 0 GFADRO COc1ccc(Br)c(CN(C)C(=O)N[C@H]2C[NH2+]CCC2(F)F)c1 ZINC000418751137 563224356 /nfs/dbraw/zinc/22/43/56/563224356.db2.gz FIDKQADJNISXRG-ZDUSSCGKSA-N 1 0 392.244 2.596 20 0 GFADRO O=C(NCCC[C@H]1CCC[NH2+]1)N1CCN(c2cccc(Br)c2)CC1 ZINC000418769257 563224964 /nfs/dbraw/zinc/22/49/64/563224964.db2.gz NCRBOKCTFZECLR-MRXNPFEDSA-N 1 0 395.345 2.813 20 0 GFADRO O=C(NCCC[C@H]1CCC[NH2+]1)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000418765660 563225309 /nfs/dbraw/zinc/22/53/09/563225309.db2.gz JYOHIXTXPPWMDZ-CQSZACIVSA-N 1 0 386.327 2.752 20 0 GFADRO CC(C)CN(Cc1ccccc1Br)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000418778612 563225669 /nfs/dbraw/zinc/22/56/69/563225669.db2.gz ZXIDLQHQDDNWFO-HNNXBMFYSA-N 1 0 384.318 2.605 20 0 GFADRO C[N@H+](CCOc1c(CO)cc(Br)cc1CO)Cc1ccccc1 ZINC000418804035 563225747 /nfs/dbraw/zinc/22/57/47/563225747.db2.gz LTXKAAANJOLSJN-UHFFFAOYSA-N 1 0 380.282 2.945 20 0 GFADRO O=C(CC[N@H+]1CCC[C@H]([C@H](O)C(F)(F)F)C1)N1CCc2sccc2C1 ZINC000277791327 563226547 /nfs/dbraw/zinc/22/65/47/563226547.db2.gz OQTAETLOMDJBBT-BBRMVZONSA-N 1 0 376.444 2.658 20 0 GFADRO C[C@H](NC(=O)C(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1)c1cc(F)c(Cl)cc1Cl ZINC000418830827 563226772 /nfs/dbraw/zinc/22/67/72/563226772.db2.gz FZQQAKFELVJWCZ-DCAQKATOSA-N 1 0 390.286 2.814 20 0 GFADRO CCCN(C(=O)C(=O)N[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1)[C@H]1CC[NH2+]C1 ZINC000418813776 563226783 /nfs/dbraw/zinc/22/67/83/563226783.db2.gz DRXIORNREBOPDM-HEHGZKQESA-N 1 0 384.307 2.566 20 0 GFADRO C[C@H](NC(=O)C(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1)c1cc(F)c(Cl)cc1Cl ZINC000418833394 563227077 /nfs/dbraw/zinc/22/70/77/563227077.db2.gz IIIKRWCFJZAZSW-UINNMSKDSA-N 1 0 376.259 2.505 20 0 GFADRO C[C@H](NC(=O)C(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1)c1cc(F)c(Cl)cc1Cl ZINC000418850089 563227309 /nfs/dbraw/zinc/22/73/09/563227309.db2.gz NQBNGDNKTJMUIH-DCAQKATOSA-N 1 0 390.286 2.753 20 0 GFADRO COC[C@@]1(C(=O)OC)CCN([C@H](C)C(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000295073843 563228238 /nfs/dbraw/zinc/22/82/38/563228238.db2.gz CULLLHYUDYALPM-PIGZYNQJSA-N 1 0 389.279 2.832 20 0 GFADRO O=C(NCCC[NH2+]C1CC1)C(=O)N[C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000418889967 563229452 /nfs/dbraw/zinc/22/94/52/563229452.db2.gz IPSXCTKWKWNMFL-MQMHXKEQSA-N 1 0 384.307 2.614 20 0 GFADRO [NH3+]C[C@@H]1CCCCN1C(=O)C(=O)N[C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000418892821 563229615 /nfs/dbraw/zinc/22/96/15/563229615.db2.gz OKYXEXHKNLXODI-IHRRRGAJSA-N 1 0 384.307 2.695 20 0 GFADRO CSc1nc(=O)[nH]c(C)c1C(=O)NC1CC[NH+](Cc2ccsc2)CC1 ZINC000370021721 563231054 /nfs/dbraw/zinc/23/10/54/563231054.db2.gz XTIMFXKJRNKQSE-UHFFFAOYSA-N 1 0 378.523 2.668 20 0 GFADRO C[C@H]([NH2+]C[C@H]1CCC[C@]12NC(=O)N(C)C2=O)c1cc(Br)cs1 ZINC000370094948 563233444 /nfs/dbraw/zinc/23/34/44/563233444.db2.gz QIOJDCZJIIRKGV-WMFXKJRFSA-N 1 0 386.315 2.882 20 0 GFADRO C[C@H](NC(=O)C(=O)NC[C@H]1[NH2+]CCCC1(C)C)c1ccc(Br)cc1 ZINC000419131379 563234408 /nfs/dbraw/zinc/23/44/08/563234408.db2.gz CQLZQDPOWBNUEW-SWLSCSKDSA-N 1 0 396.329 2.521 20 0 GFADRO C[NH2+]CCCN(C)C(=O)C(=O)N[C@H](c1ccsc1)c1ccc(Cl)cc1 ZINC000419128929 563234556 /nfs/dbraw/zinc/23/45/56/563234556.db2.gz XKHFDBUKNVGDJP-INIZCTEOSA-N 1 0 379.913 2.675 20 0 GFADRO C[C@@H]1CN(C[C@@H](O)c2ccc(Cl)cc2Cl)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000370148673 563234682 /nfs/dbraw/zinc/23/46/82/563234682.db2.gz LWBVTIQZYZUARQ-NIKGAXFTSA-N 1 0 386.367 2.985 20 0 GFADRO COC[C@H](NC(=O)C1CC[NH+](Cc2ccc(Cl)s2)CC1)[C@H]1CCCO1 ZINC000370142142 563234794 /nfs/dbraw/zinc/23/47/94/563234794.db2.gz WYNOSUPOERRREK-JKSUJKDBSA-N 1 0 386.945 2.924 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)[C@@H]2CCCN2C(=O)c2ccc(Cl)s2)C1 ZINC000370139445 563234802 /nfs/dbraw/zinc/23/48/02/563234802.db2.gz WTBXWXCQARZICA-MCIONIFRSA-N 1 0 383.945 2.995 20 0 GFADRO C[C@H](NC(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1)c1cccc(Cl)c1Cl ZINC000419256194 563235210 /nfs/dbraw/zinc/23/52/10/563235210.db2.gz XHDVEWWBPGPAAP-MEDZGJRSSA-N 1 0 384.307 2.756 20 0 GFADRO [NH3+]C1(CNC(=O)C(=O)N[C@H]2CCSc3ccc(Cl)cc32)CCCCC1 ZINC000419223199 563235408 /nfs/dbraw/zinc/23/54/08/563235408.db2.gz YDZMVVDWMZONMB-AWEZNQCLSA-N 1 0 381.929 2.771 20 0 GFADRO C[C@H](NC(=O)C(=O)NC[C@H]1[NH2+]CCCC1(C)C)c1cccc(Br)c1 ZINC000419286072 563236165 /nfs/dbraw/zinc/23/61/65/563236165.db2.gz NSTKXCJIUVMKBB-SWLSCSKDSA-N 1 0 396.329 2.521 20 0 GFADRO [NH3+][C@H](CNC(=O)[C@@H]1CCCN1C(=O)c1ccc(Cl)s1)c1ccccc1 ZINC000370193402 563236168 /nfs/dbraw/zinc/23/61/68/563236168.db2.gz JYYZJQCWBCEPHK-KGLIPLIRSA-N 1 0 377.897 2.822 20 0 GFADRO COc1cc(Br)ccc1CCC[N@@H+]1C[C@@H](C)N(CCO)C[C@H]1C ZINC000419326378 563236673 /nfs/dbraw/zinc/23/66/73/563236673.db2.gz BYSLVEWBGFTZKQ-HUUCEWRRSA-N 1 0 385.346 2.777 20 0 GFADRO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1Cc1ncc(-c2cccc(Br)c2)o1 ZINC000419330127 563236771 /nfs/dbraw/zinc/23/67/71/563236771.db2.gz QLACHPPFCIBKAP-ZIAGYGMSSA-N 1 0 394.313 2.991 20 0 GFADRO COC[C@H](C)OC[C@@H](O)C[NH2+][C@H](C)c1ccc(OC)c(Br)c1 ZINC000278031682 563237447 /nfs/dbraw/zinc/23/74/47/563237447.db2.gz IAYBCZNNZIKQRJ-SCRDCRAPSA-N 1 0 376.291 2.521 20 0 GFADRO COCCO[C@H]1C[C@@H](CO)C[N@H+](CCCc2ccccc2Br)C1 ZINC000278030599 563237620 /nfs/dbraw/zinc/23/76/20/563237620.db2.gz BHHUQTIYZKFXGG-WBVHZDCISA-N 1 0 386.330 2.728 20 0 GFADRO C[C@H](c1nc(N)nc(Cl)n1)N(C)C[C@@H](O)c1ccccc1Br ZINC000295257911 563238910 /nfs/dbraw/zinc/23/89/10/563238910.db2.gz GPSQIIYOUZGKPE-LDYMZIIASA-N 1 0 386.681 2.596 20 0 GFADRO C[NH+](C)[C@@H]1CCN(c2ccc(NC(=O)c3ccoc3Br)nc2)C1 ZINC000278094333 563240179 /nfs/dbraw/zinc/24/01/79/563240179.db2.gz QKGGEDHWEXEWBV-GFCCVEGCSA-N 1 0 379.258 2.830 20 0 GFADRO C[C@H](CNC(=O)C(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1)c1c(Cl)cccc1Cl ZINC000419517165 563241061 /nfs/dbraw/zinc/24/10/61/563241061.db2.gz MDFLVBNRQHBJSK-XQQFMLRXSA-N 1 0 386.323 2.656 20 0 GFADRO C[C@H]([NH3+])C1CCN(C(=O)C(=O)N[C@@H](C)Cc2c(Cl)cccc2Cl)CC1 ZINC000419553897 563241707 /nfs/dbraw/zinc/24/17/07/563241707.db2.gz AXHLPQZBJRCUFJ-RYUDHWBXSA-N 1 0 386.323 2.626 20 0 GFADRO O=C(NCc1ccc(O)c(Br)c1)NCC1CC[NH+](C2CC2)CC1 ZINC000278119866 563241708 /nfs/dbraw/zinc/24/17/08/563241708.db2.gz LKCJDIIIGFRPLQ-UHFFFAOYSA-N 1 0 382.302 2.828 20 0 GFADRO CC(C)[NH+]1CCN([C@H]2CCN(C(=O)c3ccc(Br)cc3F)C2)CC1 ZINC000370425411 563243084 /nfs/dbraw/zinc/24/30/84/563243084.db2.gz SLEKKGSKVANIRO-HNNXBMFYSA-N 1 0 398.320 2.829 20 0 GFADRO C[C@@H](Sc1nc2ccccc2s1)C(=O)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000295361697 563244022 /nfs/dbraw/zinc/24/40/22/563244022.db2.gz FSROLFWATZTGKO-KGLIPLIRSA-N 1 0 379.551 2.740 20 0 GFADRO C[C@H]1CN(C(=O)C(=O)NCC(C)(C)c2c(Cl)cccc2Cl)CC[C@@H]1[NH3+] ZINC000419690118 563245933 /nfs/dbraw/zinc/24/59/33/563245933.db2.gz BLNYNJBLMXIRIE-FZMZJTMJSA-N 1 0 386.323 2.583 20 0 GFADRO C[C@@H]([NH2+]C1CCN(CCS(C)(=O)=O)CC1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000370534466 563247297 /nfs/dbraw/zinc/24/72/97/563247297.db2.gz FLNSHYQNYPKVBG-VHDGCEQUSA-N 1 0 391.002 2.992 20 0 GFADRO COc1cccc(C2(C[NH2+]Cc3ccc(S(N)(=O)=O)c(Cl)c3)CC2)c1 ZINC000419706468 563247474 /nfs/dbraw/zinc/24/74/74/563247474.db2.gz KRFZFOOMBBTHIQ-UHFFFAOYSA-N 1 0 380.897 2.817 20 0 GFADRO CN(C)Cc1cnc(CNc2ccc(Cl)c(S(=O)(=O)N(C)C)c2)s1 ZINC000419719492 563248364 /nfs/dbraw/zinc/24/83/64/563248364.db2.gz GJYVQRMSQSBGIS-UHFFFAOYSA-N 1 0 388.946 2.721 20 0 GFADRO C[C@H]([NH2+]C[C@H]1CCC[C@]12NC(=O)N(C)C2=O)c1cccc(Br)c1 ZINC000370573805 563248846 /nfs/dbraw/zinc/24/88/46/563248846.db2.gz LLMUVARXKATPJD-PPHDSNJXSA-N 1 0 380.286 2.820 20 0 GFADRO CC[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)N1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000419753478 563249564 /nfs/dbraw/zinc/24/95/64/563249564.db2.gz NTESANQVFXLHHZ-PEYYIBSZSA-N 1 0 386.323 2.626 20 0 GFADRO O=C(NCc1ccc(Cl)cc1Cl)C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000419799828 563251290 /nfs/dbraw/zinc/25/12/90/563251290.db2.gz XTXOOHKRCCQHRC-INIZCTEOSA-N 1 0 384.307 2.600 20 0 GFADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)COc1cccc(Br)c1 ZINC000278366264 563251397 /nfs/dbraw/zinc/25/13/97/563251397.db2.gz JLSZKBOYWHHXRX-CQSZACIVSA-N 1 0 397.313 2.540 20 0 GFADRO O=C(NCCC[NH2+]C1CCCCC1)c1cnn2cc(Br)cnc12 ZINC000419915532 563252282 /nfs/dbraw/zinc/25/22/82/563252282.db2.gz CXEHRCZPOKGEJC-UHFFFAOYSA-N 1 0 380.290 2.534 20 0 GFADRO CC(C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000419906883 563252528 /nfs/dbraw/zinc/25/25/28/563252528.db2.gz AVTNRNYEDXJEIG-ZDUSSCGKSA-N 1 0 386.323 2.846 20 0 GFADRO O=C(CCCc1ccccc1Br)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000370679645 563252589 /nfs/dbraw/zinc/25/25/89/563252589.db2.gz VTEYKHQNTBIVFA-CVEARBPZSA-N 1 0 381.314 2.751 20 0 GFADRO O=C(Cc1ccc(Br)cc1)NC[C@@H]1CCC[C@@H]1[NH+]1CCOCC1 ZINC000370757744 563254029 /nfs/dbraw/zinc/25/40/29/563254029.db2.gz IMNCKHDGTZBBSO-RDJZCZTQSA-N 1 0 381.314 2.609 20 0 GFADRO C[NH+](C)CC[C@@](C)(O)CNC(=O)c1ccc(Br)c(Cl)c1F ZINC000419969915 563254269 /nfs/dbraw/zinc/25/42/69/563254269.db2.gz ASRCCYXDQZDFOF-CQSZACIVSA-N 1 0 381.673 2.674 20 0 GFADRO CC[C@@H](NC(=O)[C@@H]1CC[NH2+]C1)c1noc(-c2cccc(Br)c2)n1 ZINC000370773551 563254862 /nfs/dbraw/zinc/25/48/62/563254862.db2.gz OQHJOWBZMSFJBY-DGCLKSJQSA-N 1 0 379.258 2.676 20 0 GFADRO O=C(CCOc1cccc(Br)c1)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000370780487 563254868 /nfs/dbraw/zinc/25/48/68/563254868.db2.gz SHINZDZTTCEFBB-MRXNPFEDSA-N 1 0 397.313 2.588 20 0 GFADRO COc1cc(Br)ccc1C(=O)NC[C@@H]1CCC[C@@H]1[NH+]1CCOCC1 ZINC000370762480 563254924 /nfs/dbraw/zinc/25/49/24/563254924.db2.gz RSOVBTKUVGLUIL-BBRMVZONSA-N 1 0 397.313 2.688 20 0 GFADRO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000419976415 563255305 /nfs/dbraw/zinc/25/53/05/563255305.db2.gz LENMTKWPVZSUFU-INIZCTEOSA-N 1 0 386.323 2.976 20 0 GFADRO C[C@H](CC[NH3+])NC(=O)C(=O)N1CCC(=Cc2cc(Cl)ccc2Cl)CC1 ZINC000419990676 563255401 /nfs/dbraw/zinc/25/54/01/563255401.db2.gz KAYKXKUOLQQGPA-GFCCVEGCSA-N 1 0 384.307 2.853 20 0 GFADRO C[NH+](C)CC[C@@](C)(O)CNC(=O)c1cc(Cl)c(Br)cc1F ZINC000420002510 563256137 /nfs/dbraw/zinc/25/61/37/563256137.db2.gz SXVNNQIIWDYILG-CQSZACIVSA-N 1 0 381.673 2.674 20 0 GFADRO O=C(Cc1cc(Cl)ccc1Br)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000370806210 563256500 /nfs/dbraw/zinc/25/65/00/563256500.db2.gz OLAFUOBTERGWSB-KGLIPLIRSA-N 1 0 387.705 2.624 20 0 GFADRO Cc1c2cccc(Br)c2oc1C(=O)NC[C@@](C)(O)CC[NH+](C)C ZINC000420015551 563256795 /nfs/dbraw/zinc/25/67/95/563256795.db2.gz MAASWLITFYERLM-KRWDZBQOSA-N 1 0 383.286 2.936 20 0 GFADRO NC(=O)c1ccccc1N1CC[C@H]([NH2+]Cc2csc(Br)c2)C1 ZINC000370830465 563257317 /nfs/dbraw/zinc/25/73/17/563257317.db2.gz NJQPJFLCOJASIR-LBPRGKRZSA-N 1 0 380.311 2.978 20 0 GFADRO CCCC[C@@H](C[NH3+])NC(=O)C(=O)N(C)[C@@H](C)c1ccccc1Br ZINC000420119226 563258757 /nfs/dbraw/zinc/25/87/57/563258757.db2.gz NHDLBMBNIMNHEJ-STQMWFEESA-N 1 0 384.318 2.602 20 0 GFADRO C[C@H]1C[C@H](NC(=O)C(=O)N(Cc2cccs2)Cc2cccs2)CC[NH2+]1 ZINC000420116356 563258918 /nfs/dbraw/zinc/25/89/18/563258918.db2.gz HADKQUJSIYLQTP-UONOGXRCSA-N 1 0 377.535 2.595 20 0 GFADRO CCCC[C@H](C[NH3+])NC(=O)C(=O)N(Cc1cccs1)Cc1cccs1 ZINC000420147315 563259107 /nfs/dbraw/zinc/25/91/07/563259107.db2.gz SDLIUDIKWSYICK-CQSZACIVSA-N 1 0 379.551 2.972 20 0 GFADRO Cn1cc(N2CC[C@@H]([NH2+]CC3=Cc4cc(Br)ccc4OC3)C2)cn1 ZINC000370905696 563259147 /nfs/dbraw/zinc/25/91/47/563259147.db2.gz QXACHHMOGHQKFV-MRXNPFEDSA-N 1 0 389.297 2.827 20 0 GFADRO CC(C)[N@H+](C)CC(=O)NCc1c(Br)cncc1Br ZINC000295727259 563260293 /nfs/dbraw/zinc/26/02/93/563260293.db2.gz MEQOBLGSLITVAB-UHFFFAOYSA-N 1 0 379.096 2.563 20 0 GFADRO Cn1ncc(Br)c1C[NH2+]CCOc1ncccc1C(F)(F)F ZINC000278553145 563260998 /nfs/dbraw/zinc/26/09/98/563260998.db2.gz VIGJSJJPNXENPO-UHFFFAOYSA-N 1 0 379.180 2.765 20 0 GFADRO Ic1cccc2ncnc(N3CCC4(CC[NH2+]C4)CC3)c12 ZINC000420254495 563261318 /nfs/dbraw/zinc/26/13/18/563261318.db2.gz DFNZSJISLGGSBX-UHFFFAOYSA-N 1 0 394.260 2.814 20 0 GFADRO [NH3+]C[C@H]1CN(c2ncnc3cc(Br)ccc32)CC12CCOCC2 ZINC000420280915 563262191 /nfs/dbraw/zinc/26/21/91/563262191.db2.gz VHILUPPIBZKPBL-LBPRGKRZSA-N 1 0 377.286 2.584 20 0 GFADRO Cn1ccnc1[C@H](NS(=O)(=O)c1ccc(C(C)(C)C)s1)C(C)(C)CO ZINC000295793227 563262248 /nfs/dbraw/zinc/26/22/48/563262248.db2.gz RROVZEBAJKNTAQ-AWEZNQCLSA-N 1 0 385.555 2.817 20 0 GFADRO O=S(=O)(CCN1CCC[C@]2(CC[NH2+]C2)C1)c1cc(Cl)ccc1Cl ZINC000420391757 563262839 /nfs/dbraw/zinc/26/28/39/563262839.db2.gz ZDKKSZSZXSSSHR-MRXNPFEDSA-N 1 0 377.337 2.843 20 0 GFADRO C[C@H]1[C@@H]([NH3+])CCN1S(=O)(=O)c1cc(Br)c(Cl)cc1Cl ZINC000420430605 563263907 /nfs/dbraw/zinc/26/39/07/563263907.db2.gz NHFQQXUATIWUMX-WKEGUHRASA-N 1 0 388.114 2.866 20 0 GFADRO CCn1ccnc1[C@@H](N[C@H]1C[C@@H](O)C1)c1ccc(I)cc1 ZINC000295817321 563264036 /nfs/dbraw/zinc/26/40/36/563264036.db2.gz BPGULHVGXRCSAG-ZNMIVQPWSA-N 1 0 397.260 2.710 20 0 GFADRO CCCOc1c(Br)cc(C[NH2+]C[C@]2(O)CCO[C@H]2C)cc1OC ZINC000278632599 563264292 /nfs/dbraw/zinc/26/42/92/563264292.db2.gz KTGFCGGOYCTOHY-YVEFUNNKSA-N 1 0 388.302 2.876 20 0 GFADRO O=S(=O)(Cc1cccc(C(F)(F)F)c1)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420465408 563264381 /nfs/dbraw/zinc/26/43/81/563264381.db2.gz QCBUOADBTMQRLX-HOCLYGCPSA-N 1 0 376.444 2.999 20 0 GFADRO C[NH2+]CCCN(C)S(=O)(=O)c1ccc(Br)cc1C(F)(F)F ZINC000420466171 563264601 /nfs/dbraw/zinc/26/46/01/563264601.db2.gz AGBBOVDUHSWBPM-UHFFFAOYSA-N 1 0 389.237 2.698 20 0 GFADRO Cc1ccc(Br)c(S(=O)(=O)N2C[C@H]([NH3+])Cc3ccccc32)c1 ZINC000420475319 563265834 /nfs/dbraw/zinc/26/58/34/563265834.db2.gz MJLAXEVTCIMFEI-CYBMUJFWSA-N 1 0 381.295 2.836 20 0 GFADRO O=C(CCn1ccnc1)NCc1c(Br)cncc1Br ZINC000295907591 563267838 /nfs/dbraw/zinc/26/78/38/563267838.db2.gz ZNEVOBRRXLUYBP-UHFFFAOYSA-N 1 0 388.063 2.510 20 0 GFADRO CNC(=O)CN1CCC([NH2+][C@@H](Cc2ccccc2Br)C2CC2)CC1 ZINC000295994271 563270366 /nfs/dbraw/zinc/27/03/66/563270366.db2.gz NWTNOBMQCFZJTB-SFHVURJKSA-N 1 0 394.357 2.570 20 0 GFADRO COc1cc(Br)c(CN2CCC[C@H](c3nnc[nH]3)C2)c(OC)c1 ZINC000371334679 563273491 /nfs/dbraw/zinc/27/34/91/563273491.db2.gz HJZJTNLFJJCUCV-NSHDSACASA-N 1 0 381.274 2.964 20 0 GFADRO COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000296077561 563273933 /nfs/dbraw/zinc/27/39/33/563273933.db2.gz DQHULYMSAYXWGX-FGWVZKOKSA-N 1 0 386.279 2.682 20 0 GFADRO C[C@H]1CN(C(=O)c2cc(Cl)c(N)c(Cl)c2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000371362826 563274098 /nfs/dbraw/zinc/27/40/98/563274098.db2.gz XZISJVKJIYTHRX-LRDDRELGSA-N 1 0 385.339 2.674 20 0 GFADRO C[NH+]1CCC2(CCCN2C(=O)c2cc3c(c(Br)c2)OCO3)CC1 ZINC000371360008 563274436 /nfs/dbraw/zinc/27/44/36/563274436.db2.gz BIWBKXMZIIHGOS-UHFFFAOYSA-N 1 0 381.270 2.878 20 0 GFADRO C[C@H](C[NH+]1CCCCCC1)NS(=O)(=O)c1cc(F)ccc1OC(F)F ZINC000420691974 563274745 /nfs/dbraw/zinc/27/47/45/563274745.db2.gz RKWOJWOHXCVEDC-GFCCVEGCSA-N 1 0 380.432 2.970 20 0 GFADRO Cc1c(Br)ccc(NC(=O)N2CCC([N@H+](C)CCO)CC2)c1F ZINC000278915214 563275816 /nfs/dbraw/zinc/27/58/16/563275816.db2.gz GVSDYLFTKJRWNV-UHFFFAOYSA-N 1 0 388.281 2.817 20 0 GFADRO Cc1ccc(NC(=O)N2CC[N@H+](C3CCOCC3)C[C@@H]2C)c(Br)n1 ZINC000278954359 563277537 /nfs/dbraw/zinc/27/75/37/563277537.db2.gz ZFUJKACHWUINEC-ZDUSSCGKSA-N 1 0 397.317 2.870 20 0 GFADRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NS(=O)(=O)c1cc(F)ccc1OC(F)F ZINC000420716494 563278932 /nfs/dbraw/zinc/27/89/32/563278932.db2.gz CWPFSLYJACRRQQ-RYUDHWBXSA-N 1 0 380.432 2.826 20 0 GFADRO Cc1nc(-c2ccc(S(=O)(=O)N3CC[C@@H]4CC[N@@H+](C)[C@H]4C3)s2)cs1 ZINC000371506682 563280128 /nfs/dbraw/zinc/28/01/28/563280128.db2.gz ULQHNCIGGOZAFN-JSGCOSHPSA-N 1 0 383.564 2.895 20 0 GFADRO CC[C@H](C)[NH+]1CCN(C(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)CC1 ZINC000296258085 563280843 /nfs/dbraw/zinc/28/08/43/563280843.db2.gz LNWLDUPOTOLUBM-LBPRGKRZSA-N 1 0 375.441 2.631 20 0 GFADRO CN(C[C@H]1CCC[N@@H+]1C)S(=O)(=O)c1ccc(Br)c(Cl)c1 ZINC000420734022 563281105 /nfs/dbraw/zinc/28/11/05/563281105.db2.gz INBUXSQLVAAZIO-SNVBAGLBSA-N 1 0 381.723 2.817 20 0 GFADRO O=C(N[C@H]1CCc2cc(Br)ccc21)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000279082241 563283173 /nfs/dbraw/zinc/28/31/73/563283173.db2.gz VHNWKZXOXVZDQY-FZMZJTMJSA-N 1 0 375.270 2.666 20 0 GFADRO Cc1nn(C)c(CNC2CC[NH+](Cc3ccncc3)CC2)c1Br ZINC000279134536 563285297 /nfs/dbraw/zinc/28/52/97/563285297.db2.gz NDBRAWGPFYLUDP-UHFFFAOYSA-N 1 0 378.318 2.640 20 0 GFADRO COC(=O)c1cscc1NC(=O)NC1CCN(Cc2cscn2)CC1 ZINC000371766216 563287536 /nfs/dbraw/zinc/28/75/36/563287536.db2.gz NFMRSOYLJGFDKF-UHFFFAOYSA-N 1 0 380.495 2.777 20 0 GFADRO CC[C@@H]([NH2+][C@@H](CC)c1ccc(Cl)c(S(=O)(=O)NC)c1)[C@H](O)C(F)F ZINC000296532711 563291346 /nfs/dbraw/zinc/29/13/46/563291346.db2.gz QNYGEUHJTNXGOM-SCRDCRAPSA-N 1 0 384.876 2.693 20 0 GFADRO O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1c(F)cccc1I ZINC000371934375 563291988 /nfs/dbraw/zinc/29/19/88/563291988.db2.gz SJMWGBOKLOUKHM-WDEREUQCSA-N 1 0 388.224 2.787 20 0 GFADRO CSc1nsc(NC(=O)N(C)C2CC[NH+](Cc3ccncc3)CC2)n1 ZINC000371971624 563292723 /nfs/dbraw/zinc/29/27/23/563292723.db2.gz HNKKLCCDKWRDRC-UHFFFAOYSA-N 1 0 378.527 2.783 20 0 GFADRO CN(Cc1nc(Cc2cccc(Br)c2)no1)C[C@H]1CCC[N@@H+]1C ZINC000420999775 563292802 /nfs/dbraw/zinc/29/28/02/563292802.db2.gz JSFSTSHWYGZISI-OAHLLOKOSA-N 1 0 379.302 2.949 20 0 GFADRO NS(=O)(=O)CCC[N@@H+]1CCCC[C@H]1Cc1cccc(Br)c1 ZINC000421040013 563294605 /nfs/dbraw/zinc/29/46/05/563294605.db2.gz MSUHHGNHBGSJHS-HNNXBMFYSA-N 1 0 375.332 2.525 20 0 GFADRO C[C@H](Cc1ccc(O)cc1)[NH2+]C1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000372066189 563294796 /nfs/dbraw/zinc/29/47/96/563294796.db2.gz XGPGLQMSIBTLIO-CQSZACIVSA-N 1 0 380.535 2.828 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)C[N@H+](C)C[C@H]1CCNC(=O)CC1 ZINC000296625872 563294822 /nfs/dbraw/zinc/29/48/22/563294822.db2.gz VJTHIARUJMMBCD-CYBMUJFWSA-N 1 0 382.302 2.544 20 0 GFADRO CC(C)Oc1cc(Br)cc(NC(=O)C2C[C@@H]3C[NH2+]C[C@H](C2)C3=O)c1 ZINC000372089376 563295624 /nfs/dbraw/zinc/29/56/24/563295624.db2.gz VDIMAKHIUJZZEB-YHWZYXNKSA-N 1 0 395.297 2.990 20 0 GFADRO C[N@@H+]1CC[C@@H](CNC(=O)Nc2ccn(-c3ccc(Br)cc3)n2)C1 ZINC000296800416 563302194 /nfs/dbraw/zinc/30/21/94/563302194.db2.gz HLFPQURWEFVNMT-LBPRGKRZSA-N 1 0 378.274 2.708 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)Nc1nnc(C2CCOCC2)s1)c1ccsc1 ZINC000296799959 563302225 /nfs/dbraw/zinc/30/22/25/563302225.db2.gz GBCOIWOTYNHIDT-CYBMUJFWSA-N 1 0 381.527 2.918 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)Nc1nnc(C2CCOCC2)s1)c1ccsc1 ZINC000296799966 563302247 /nfs/dbraw/zinc/30/22/47/563302247.db2.gz GBCOIWOTYNHIDT-ZDUSSCGKSA-N 1 0 381.527 2.918 20 0 GFADRO CC[NH+](CC)C[C@@H]1CCN(S(=O)(=O)c2ccc(OC(F)F)c(F)c2)C1 ZINC000279650794 563304486 /nfs/dbraw/zinc/30/44/86/563304486.db2.gz BQUNLQLIROKINF-LBPRGKRZSA-N 1 0 380.432 2.780 20 0 GFADRO CCn1ccnc1CNC(=O)N[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000296883340 563306305 /nfs/dbraw/zinc/30/63/05/563306305.db2.gz MJKMWAGMFQLYKB-AWEZNQCLSA-N 1 0 392.301 2.744 20 0 GFADRO O=C(c1cc2c(c(Br)c1)OCO2)N1CCCC2(CC[NH2+]CC2)C1 ZINC000372431357 563306328 /nfs/dbraw/zinc/30/63/28/563306328.db2.gz LYGHAJILJDMUJH-UHFFFAOYSA-N 1 0 381.270 2.784 20 0 GFADRO CO[C@@H](c1ccccc1)[C@H](C)[NH2+]CC1CCN(S(=O)(=O)C(F)F)CC1 ZINC000279722488 563307742 /nfs/dbraw/zinc/30/77/42/563307742.db2.gz MMNAJIBQMJACMC-XJKSGUPXSA-N 1 0 376.469 2.617 20 0 GFADRO COCC[NH+]1CCC(NC(=O)N[C@H]2COc3c2ccc(Cl)c3Cl)CC1 ZINC000372460561 563307832 /nfs/dbraw/zinc/30/78/32/563307832.db2.gz RHIWADYIJFGSKO-AWEZNQCLSA-N 1 0 388.295 2.837 20 0 GFADRO Cc1ncsc1CCS(=O)(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000296918177 563308303 /nfs/dbraw/zinc/30/83/03/563308303.db2.gz WPQFZSMPJZTQOM-KRWDZBQOSA-N 1 0 379.551 2.578 20 0 GFADRO O=C(Nc1ccnn1Cc1ccc(Br)cc1)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000372504333 563308661 /nfs/dbraw/zinc/30/86/61/563308661.db2.gz PVMFDTOAGLEBPU-RHSMWYFYSA-N 1 0 375.270 2.632 20 0 GFADRO CC(=O)N1CCC[C@@H](C[NH2+]Cc2cn(-c3ccc(Cl)cc3Cl)nn2)C1 ZINC000279788217 563310056 /nfs/dbraw/zinc/31/00/56/563310056.db2.gz LZXBEXVUTDGEKX-ZDUSSCGKSA-N 1 0 382.295 2.922 20 0 GFADRO C[C@H](NC(=O)[C@H]1CCC[N@@H+]1C1CCOCC1)c1ccc(Br)cn1 ZINC000279917806 563314538 /nfs/dbraw/zinc/31/45/38/563314538.db2.gz HEQALEQKGYIHJS-BLLLJJGKSA-N 1 0 382.302 2.665 20 0 GFADRO CC(C)[NH+]1CCN([C@H]2CCN(C(=O)[C@H]3SCCc4sccc43)C2)CC1 ZINC000372743297 563315926 /nfs/dbraw/zinc/31/59/26/563315926.db2.gz VTAAEZOLDMIVEO-YJBOKZPZSA-N 1 0 379.595 2.705 20 0 GFADRO C[C@@H]1C[NH+](CCCNC(=O)N[C@@H](c2nccs2)C(F)(F)F)C[C@@H](C)O1 ZINC000297118548 563316168 /nfs/dbraw/zinc/31/61/68/563316168.db2.gz XRPLTDRVBDVUCE-UTUOFQBUSA-N 1 0 380.436 2.545 20 0 GFADRO C[C@@H]([NH2+]CCNc1ccccn1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000279986864 563317895 /nfs/dbraw/zinc/31/78/95/563317895.db2.gz DZSRMFZWKLIUBM-SNVBAGLBSA-N 1 0 389.308 2.799 20 0 GFADRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)c1ccn(-c2cccc(Br)c2)n1 ZINC000421702058 563319277 /nfs/dbraw/zinc/31/92/77/563319277.db2.gz JCCDQPMUCVJTTD-HNNXBMFYSA-N 1 0 377.286 2.801 20 0 GFADRO Cc1noc(CCC[NH2+][C@H](C)c2cc(S(N)(=O)=O)c(Cl)cc2Cl)n1 ZINC000280067965 563320821 /nfs/dbraw/zinc/32/08/21/563320821.db2.gz KWWDLUQIAQOLAX-MRVPVSSYSA-N 1 0 393.296 2.616 20 0 GFADRO O=S1(=O)CC[C@@]2(C1)C[C@@H]([NH2+]Cc1ccc(F)c(Cl)c1Cl)CCO2 ZINC000372876931 563321083 /nfs/dbraw/zinc/32/10/83/563321083.db2.gz KSHBNSRLAZIISR-NHYWBVRUSA-N 1 0 382.284 2.958 20 0 GFADRO CC[C@@H]1C[C@@H]([NH2+][C@H](C)c2ccc(Br)c(S(N)(=O)=O)c2)CCO1 ZINC000421861039 563323228 /nfs/dbraw/zinc/32/32/28/563323228.db2.gz SWVJJDIEZYCKGL-KGYLQXTDSA-N 1 0 391.331 2.705 20 0 GFADRO C[NH+](C)CCn1nccc1NC(=O)NCc1ccc(Br)c(F)c1 ZINC000297331425 563323683 /nfs/dbraw/zinc/32/36/83/563323683.db2.gz IYIZNLPZGPKCHR-UHFFFAOYSA-N 1 0 384.253 2.668 20 0 GFADRO COCC[N@@H+]1CC[C@@H](Nc2cc(Br)cc(C(=O)N3CCCC3)c2)C1 ZINC000280132876 563323794 /nfs/dbraw/zinc/32/37/94/563323794.db2.gz QJWVRWOEMSUQRI-MRXNPFEDSA-N 1 0 396.329 2.818 20 0 GFADRO COc1ccc(S(=O)(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c(Br)c1 ZINC000280163352 563324900 /nfs/dbraw/zinc/32/49/00/563324900.db2.gz CDLVSDQTTZJASS-RYUDHWBXSA-N 1 0 391.331 2.561 20 0 GFADRO C[C@@H]1[C@H]([NH3+])CCCN1C(=O)C1(c2ccc(Br)cc2)CCOCC1 ZINC000297384392 563325554 /nfs/dbraw/zinc/32/55/54/563325554.db2.gz NIYQFPXDMMMWSY-CZUORRHYSA-N 1 0 381.314 2.836 20 0 GFADRO COc1cc(Br)cc(NC(=O)Nc2ccnn2CC[NH+](C)C)c1 ZINC000297485268 563327245 /nfs/dbraw/zinc/32/72/45/563327245.db2.gz SKMRZBOHRHEYKZ-UHFFFAOYSA-N 1 0 382.262 2.860 20 0 GFADRO COc1cc(C[N@@H+]2CC[C@@](C)(C(N)=O)C2)cc(Br)c1OC(F)F ZINC000280220114 563327532 /nfs/dbraw/zinc/32/75/32/563327532.db2.gz JDHAICRAESXZFF-OAHLLOKOSA-N 1 0 393.228 2.756 20 0 GFADRO CCOc1cc(C[N@@H+]2CC[C@H](C(=O)N3CCCC3)C2)cc(Br)c1O ZINC000297493048 563327636 /nfs/dbraw/zinc/32/76/36/563327636.db2.gz UGBSWTZVRNDXCT-AWEZNQCLSA-N 1 0 397.313 2.998 20 0 GFADRO C[NH+]1CCC(n2ccc(NC(=O)Cc3ccc(F)cc3Br)n2)CC1 ZINC000373295613 563333854 /nfs/dbraw/zinc/33/38/54/563333854.db2.gz WQZWNBHNASQZDS-UHFFFAOYSA-N 1 0 395.276 3.233 20 0 GFADRO Nc1c(Cl)cc(NC(=O)C(=O)NCCC[NH+]2CCCCCC2)cc1Cl ZINC000297739156 563334273 /nfs/dbraw/zinc/33/42/73/563334273.db2.gz CWYWGLVXPYDWTN-UHFFFAOYSA-N 1 0 387.311 2.896 20 0 GFADRO COc1cccc(C[NH2+][C@@H](C)c2ccc(Br)c(S(N)(=O)=O)c2)c1 ZINC000280429046 563336726 /nfs/dbraw/zinc/33/67/26/563336726.db2.gz BCAAODAVBIHJTN-NSHDSACASA-N 1 0 399.310 2.956 20 0 GFADRO C[C@H]([NH2+]CCc1ccccc1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000280495602 563339980 /nfs/dbraw/zinc/33/99/80/563339980.db2.gz DJHGVIGGWNVVSV-LBPRGKRZSA-N 1 0 383.311 2.990 20 0 GFADRO CCS(=O)(=O)c1ccc(C[NH2+][C@@H]2CCN(C[C@@H]3CCCO3)C[C@@H]2C)s1 ZINC000373486941 563340012 /nfs/dbraw/zinc/34/00/12/563340012.db2.gz UMJCLHTWDTVZPI-YQQAZPJKSA-N 1 0 386.583 2.521 20 0 GFADRO CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000297936739 563340184 /nfs/dbraw/zinc/34/01/84/563340184.db2.gz VEQRCIWLSBLKAD-ZFWWWQNUSA-N 1 0 383.945 2.693 20 0 GFADRO CCOc1cc(C[NH2+]CC2([S@@](C)=O)CCC2)cc(Br)c1O ZINC000298024730 563342035 /nfs/dbraw/zinc/34/20/35/563342035.db2.gz FBIWMIZWRCJQFK-OAQYLSRUSA-N 1 0 376.316 2.944 20 0 GFADRO C[C@H]1CN(C(=O)NCCc2nc(C(F)(F)F)cs2)CC[N@@H+](C2CC2)C1 ZINC000298024089 563342143 /nfs/dbraw/zinc/34/21/43/563342143.db2.gz RRTYABOOESQGFC-LLVKDONJSA-N 1 0 376.448 2.830 20 0 GFADRO C[C@@H]([NH2+][C@@H]1CCc2n[nH]cc2C1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000373564979 563342244 /nfs/dbraw/zinc/34/22/44/563342244.db2.gz WZSVYXNNUJAQPP-PSASIEDQSA-N 1 0 389.308 2.572 20 0 GFADRO Cc1nc(SC(F)F)sc1CC(=O)N1CCC[N@H+](CC(C)(C)O)CC1 ZINC000373582250 563343038 /nfs/dbraw/zinc/34/30/38/563343038.db2.gz YJNMRHGQHZGBRV-UHFFFAOYSA-N 1 0 393.525 2.614 20 0 GFADRO CC(C)(CC[NH3+])NC(=O)Nc1ccnn1Cc1ccccc1Br ZINC000422569554 563344027 /nfs/dbraw/zinc/34/40/27/563344027.db2.gz FCIFGVLJGJUWOZ-UHFFFAOYSA-N 1 0 380.290 2.943 20 0 GFADRO Cc1nc2ccc(Br)cn2c1C(=O)N(C)CC1CC[NH+](C)CC1 ZINC000280592761 563345294 /nfs/dbraw/zinc/34/52/94/563345294.db2.gz TYVRFQKUSHGRDM-UHFFFAOYSA-N 1 0 379.302 2.819 20 0 GFADRO C[C@@H]1C[N@H+](C[C@@H](O)COc2cc(Cl)ccc2Cl)C[C@@]2(CCOC2)O1 ZINC000280648815 563347852 /nfs/dbraw/zinc/34/78/52/563347852.db2.gz YYDSMCKRHHIVQM-SUYBPPKGSA-N 1 0 376.280 2.613 20 0 GFADRO O=C(Nc1cccc(I)c1)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000422914348 563350821 /nfs/dbraw/zinc/35/08/21/563350821.db2.gz SYBRPIVUUHUVDN-AWEZNQCLSA-N 1 0 396.232 2.665 20 0 GFADRO O=C(COC1CC[NH2+]CC1)N(Cc1cc(Br)ccc1F)C1CC1 ZINC000422983118 563352516 /nfs/dbraw/zinc/35/25/16/563352516.db2.gz YNPSXACWTWDTRA-UHFFFAOYSA-N 1 0 385.277 2.848 20 0 GFADRO CC(C)[C@H](C(=O)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1)[C@H](C)[NH3+] ZINC000422962888 563352698 /nfs/dbraw/zinc/35/26/98/563352698.db2.gz GZDBGPYVRKTLKP-LRDDRELGSA-N 1 0 386.323 2.897 20 0 GFADRO COc1cc(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)cc(OC)c1Br ZINC000298441342 563355330 /nfs/dbraw/zinc/35/53/30/563355330.db2.gz HOKOQGQWJYYVCS-NSHDSACASA-N 1 0 383.286 2.680 20 0 GFADRO COc1cc(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc(OC)c1Br ZINC000373940430 563356126 /nfs/dbraw/zinc/35/61/26/563356126.db2.gz YAQVATBIKKSEQY-OLZOCXBDSA-N 1 0 383.286 2.823 20 0 GFADRO C[C@@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000423118329 563356373 /nfs/dbraw/zinc/35/63/73/563356373.db2.gz ZZGJLPQIVURNTH-KPZWWZAWSA-N 1 0 384.307 2.725 20 0 GFADRO [NH3+]CC1(CC(=O)N2CCC(C(=O)Nc3cccc(Br)c3)CC2)CC1 ZINC000423118503 563356438 /nfs/dbraw/zinc/35/64/38/563356438.db2.gz AVVYOMDMHMFQEY-UHFFFAOYSA-N 1 0 394.313 2.755 20 0 GFADRO COC(=O)C1CC[NH+](CCCNC(=O)CSc2ccc(Cl)cc2)CC1 ZINC000298487487 563356797 /nfs/dbraw/zinc/35/67/97/563356797.db2.gz HUXKCDBACDUQHR-UHFFFAOYSA-N 1 0 384.929 2.823 20 0 GFADRO COc1ccc(Br)cc1C[C@@H](CO)CN[C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000423161694 563357653 /nfs/dbraw/zinc/35/76/53/563357653.db2.gz OCKQVIVGUOYHPS-JJRVBVJISA-N 1 0 385.346 2.729 20 0 GFADRO O=C(NCCc1cn2ccccc2n1)C1(c2cncc(Br)c2)CC1 ZINC000280865799 563358033 /nfs/dbraw/zinc/35/80/33/563358033.db2.gz BCSFWXSIAHKRLN-UHFFFAOYSA-N 1 0 385.265 2.882 20 0 GFADRO Cc1c([C@H](C)NC[C@H]2CCC[NH2+]C2)nnn1-c1cccc(Br)c1 ZINC000423207033 563358603 /nfs/dbraw/zinc/35/86/03/563358603.db2.gz GKPVUKBJPVCCMT-JSGCOSHPSA-N 1 0 378.318 2.988 20 0 GFADRO CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000423190562 563358676 /nfs/dbraw/zinc/35/86/76/563358676.db2.gz SBOCHMACORWERU-KZULUSFZSA-N 1 0 386.323 2.785 20 0 GFADRO CN(Cc1cc(Br)cs1)C(=O)C[N@@H+]1CCCC[C@H](CO)C1 ZINC000374047076 563359266 /nfs/dbraw/zinc/35/92/66/563359266.db2.gz AGKHQJLOBCCVNT-LBPRGKRZSA-N 1 0 375.332 2.563 20 0 GFADRO CC[C@@H](NC[C@H]([NH3+])c1ccccc1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000423246779 563359671 /nfs/dbraw/zinc/35/96/71/563359671.db2.gz PZOGBLNUOOEONI-DLBZAZTESA-N 1 0 381.929 2.989 20 0 GFADRO C[C@@H](NC(=O)[C@@H]([NH3+])C1CCC1)c1nc(-c2ccc(Br)cc2)no1 ZINC000423296796 563359768 /nfs/dbraw/zinc/35/97/68/563359768.db2.gz ZWBMDWMYCVSDGJ-RNCFNFMXSA-N 1 0 379.258 2.804 20 0 GFADRO COC[C@H](NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1cccc(Cl)c1F ZINC000423405350 563360439 /nfs/dbraw/zinc/36/04/39/563360439.db2.gz ZAFKGVQGSRHRJW-UONOGXRCSA-N 1 0 383.817 2.592 20 0 GFADRO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C(=O)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000298674314 563363245 /nfs/dbraw/zinc/36/32/45/563363245.db2.gz XRFGESVLWUQDGO-SFHVURJKSA-N 1 0 384.307 2.506 20 0 GFADRO [NH3+]CC[C@H](NC(=O)c1cc2sc(N3CCCC3)nc2s1)C(F)(F)F ZINC000423733006 563363397 /nfs/dbraw/zinc/36/33/97/563363397.db2.gz BCGQHJCCACDBGN-JTQLQIEISA-N 1 0 378.445 2.968 20 0 GFADRO COC[C@@]1(C(=O)N2CCC(c3ccc(Br)cc3)CC2)CC[NH2+]C1 ZINC000423838889 563363539 /nfs/dbraw/zinc/36/35/39/563363539.db2.gz IRKYYFFACUVBLS-GOSISDBHSA-N 1 0 381.314 2.781 20 0 GFADRO COCC[C@H](Cc1cccc(Br)c1)C(=O)N(C)[C@H](C[NH3+])C1CC1 ZINC000423952515 563364857 /nfs/dbraw/zinc/36/48/57/563364857.db2.gz PQILVXBPBIDZRM-NVXWUHKLSA-N 1 0 383.330 2.840 20 0 GFADRO C[C@@H](O)C[N@@H+]1CCN(CC2=Cc3cc(Br)ccc3OC2)[C@@H](C)C1 ZINC000281061483 563364929 /nfs/dbraw/zinc/36/49/29/563364929.db2.gz RWSUXBMEPXHHCP-UONOGXRCSA-N 1 0 381.314 2.612 20 0 GFADRO CC(=O)N[C@@H](CC(=O)N[C@@H](C[NH3+])C1CCCC1)c1ccc(Br)cc1 ZINC000423951521 563365038 /nfs/dbraw/zinc/36/50/38/563365038.db2.gz ZAMIZFIUFOIOAJ-IRXDYDNUSA-N 1 0 396.329 2.650 20 0 GFADRO C[C@@H](O)C[N@@H+]1CCN(CC2=Cc3cc(Br)ccc3OC2)[C@H](C)C1 ZINC000281061484 563365042 /nfs/dbraw/zinc/36/50/42/563365042.db2.gz RWSUXBMEPXHHCP-ZIAGYGMSSA-N 1 0 381.314 2.612 20 0 GFADRO CC(=O)N[C@H](CC(=O)N[C@@H](C[NH3+])C1CCCC1)c1ccc(Br)cc1 ZINC000423951524 563365135 /nfs/dbraw/zinc/36/51/35/563365135.db2.gz ZAMIZFIUFOIOAJ-SJORKVTESA-N 1 0 396.329 2.650 20 0 GFADRO Cc1ccc(C(=O)NC2CCC(N3CC[NH2+]CC3)CC2)c(Br)c1 ZINC000423942069 563365175 /nfs/dbraw/zinc/36/51/75/563365175.db2.gz AQDYJZVQSWXRTH-UHFFFAOYSA-N 1 0 380.330 2.704 20 0 GFADRO O=C(c1csc(I)c1)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000423980735 563366640 /nfs/dbraw/zinc/36/66/40/563366640.db2.gz SJIRDGZHMQPVMR-JQWIXIFHSA-N 1 0 390.290 2.957 20 0 GFADRO COc1ccc(Br)cc1C(=O)CCC(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000424004898 563366938 /nfs/dbraw/zinc/36/69/38/563366938.db2.gz FIYCOBFBGHSRTE-CHWSQXEVSA-N 1 0 397.313 2.864 20 0 GFADRO Cc1csc(C(=O)N2CC[C@@H](C)[C@H](C[NH3+])C2)c1I ZINC000423999992 563367183 /nfs/dbraw/zinc/36/71/83/563367183.db2.gz NRVCNVFINSGRBY-PSASIEDQSA-N 1 0 378.279 2.718 20 0 GFADRO CN(Cc1ccc(F)cc1)C(=O)C[NH2+][C@H](CO)c1ccc(Br)cc1 ZINC000298820816 563367431 /nfs/dbraw/zinc/36/74/31/563367431.db2.gz FZWLIFHYSYARFA-QGZVFWFLSA-N 1 0 395.272 2.870 20 0 GFADRO C[C@H]1CCN(C(=O)c2ccc(S(=O)(=O)c3ccccc3)s2)C[C@@H]1C[NH3+] ZINC000424030241 563368011 /nfs/dbraw/zinc/36/80/11/563368011.db2.gz ZUACAACBACNOHE-KBPBESRZSA-N 1 0 378.519 2.638 20 0 GFADRO COC(=O)c1cnc([C@H](C)NC(=O)NC[C@H](c2cccs2)[NH+](C)C)s1 ZINC000424056959 563368606 /nfs/dbraw/zinc/36/86/06/563368606.db2.gz AOXWYQANOCCNFP-WDEREUQCSA-N 1 0 382.511 2.654 20 0 GFADRO CC(C)c1n[nH]c(C(=O)N2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)c1Br ZINC000374410585 563371374 /nfs/dbraw/zinc/37/13/74/563371374.db2.gz HYLRLJKNCRFGRO-RWMBFGLXSA-N 1 0 399.333 2.619 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2Cc1cc2c(c(Br)c1)OCO2 ZINC000374430466 563371846 /nfs/dbraw/zinc/37/18/46/563371846.db2.gz SLBVLZFGGDLORQ-KBMXLJTQSA-N 1 0 397.313 2.861 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)Cc1ccc(F)c(Br)c1 ZINC000374423597 563372049 /nfs/dbraw/zinc/37/20/49/563372049.db2.gz SRSVUZZUYFTIJZ-XYPHTWIQSA-N 1 0 399.304 2.841 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+]C[C@@H]1CCN(C)C(=O)C1 ZINC000424188439 563372333 /nfs/dbraw/zinc/37/23/33/563372333.db2.gz LGLRGZXMYCDPII-CQSZACIVSA-N 1 0 391.313 2.901 20 0 GFADRO [NH3+]CC1(CC(=O)NCc2cc(Cl)cc(I)c2)CC1 ZINC000424212915 563373945 /nfs/dbraw/zinc/37/39/45/563373945.db2.gz RDHOCIAPCHYUAG-UHFFFAOYSA-N 1 0 378.641 2.690 20 0 GFADRO C[C@H]1CC2(CN1C(=O)c1csc(I)c1)CC[NH2+]CC2 ZINC000424237771 563375280 /nfs/dbraw/zinc/37/52/80/563375280.db2.gz MJYKUZDSJKEVLB-JTQLQIEISA-N 1 0 390.290 2.957 20 0 GFADRO O=C(Cn1cc(Br)cn1)N1C[C@H]2CCC[N@@H+]2Cc2ccccc21 ZINC000299134694 563375884 /nfs/dbraw/zinc/37/58/84/563375884.db2.gz DVFHEZXHBSYLSV-OAHLLOKOSA-N 1 0 375.270 2.657 20 0 GFADRO Cc1ccc(C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1I ZINC000374645032 563378637 /nfs/dbraw/zinc/37/86/37/563378637.db2.gz NAOGYALWPJTHEN-GZBFAFLISA-N 1 0 384.261 2.799 20 0 GFADRO CC[C@@H](NC(=O)C(=O)N1CC2(C[C@H]1C)CC[NH2+]CC2)c1ccc(Cl)s1 ZINC000424536332 563380992 /nfs/dbraw/zinc/38/09/92/563380992.db2.gz AYZNAXWQCRATDN-CHWSQXEVSA-N 1 0 383.945 2.959 20 0 GFADRO COc1ccc(C(=O)N2CCC[C@@H](CC[NH3+])C2)c(I)c1 ZINC000281632099 563381362 /nfs/dbraw/zinc/38/13/62/563381362.db2.gz DFZZOXZTRQMEGG-NSHDSACASA-N 1 0 388.249 2.501 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1cc(F)ccc1I ZINC000299577054 563386152 /nfs/dbraw/zinc/38/61/52/563386152.db2.gz CVAOZOBBJBXWFN-KGLIPLIRSA-N 1 0 388.224 2.787 20 0 GFADRO COc1ncc(C(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)cc1Br ZINC000424691642 563386844 /nfs/dbraw/zinc/38/68/44/563386844.db2.gz NFIZPPNOMVJSBN-AWEZNQCLSA-N 1 0 382.302 2.847 20 0 GFADRO C[N@@H+]1CC[C@H]2CCN(CCC(=O)Nc3ccc(Br)cc3F)C[C@H]21 ZINC000375033980 563388475 /nfs/dbraw/zinc/38/84/75/563388475.db2.gz BRLQXGQKYFWJGB-BLLLJJGKSA-N 1 0 384.293 2.943 20 0 GFADRO C[NH+](C)CCCCNC(=O)[C@@H]1CCCN1C(=O)c1ccc(Br)cc1 ZINC000299699035 563389362 /nfs/dbraw/zinc/38/93/62/563389362.db2.gz WJMNPIJFIPBGRL-INIZCTEOSA-N 1 0 396.329 2.512 20 0 GFADRO COc1c(Br)ccc(C)c1C(=O)N1C[C@H](SC)[C@@H]([NH+](C)C)C1 ZINC000424750182 563389814 /nfs/dbraw/zinc/38/98/14/563389814.db2.gz KIFFFLGZMYSOSJ-STQMWFEESA-N 1 0 387.343 2.884 20 0 GFADRO Cc1oc(Br)cc1C(=O)NC[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000424761106 563390632 /nfs/dbraw/zinc/39/06/32/563390632.db2.gz XMUUAHBOFBSLNY-GJZGRUSLSA-N 1 0 393.281 2.716 20 0 GFADRO [NH3+]CC[C@H]1CCCN(C(=O)c2nn(-c3ccc(F)cc3)cc2Br)C1 ZINC000282036611 563395220 /nfs/dbraw/zinc/39/52/20/563395220.db2.gz UHPGUFZMRJMSNV-GFCCVEGCSA-N 1 0 395.276 2.975 20 0 GFADRO CC[NH+]1CCN(c2ccc(CNc3ccc(Br)cn3)cn2)CC1 ZINC000301386286 563402337 /nfs/dbraw/zinc/40/23/37/563402337.db2.gz VVVBYRRYPZPSTC-UHFFFAOYSA-N 1 0 376.302 2.993 20 0 GFADRO CC(C)(C)[N@@H+]1CCc2nc(NC(=O)c3ccc(S(C)(=O)=O)o3)sc2C1 ZINC000425082190 563403898 /nfs/dbraw/zinc/40/38/98/563403898.db2.gz OJIDOWYFPJZNDS-UHFFFAOYSA-N 1 0 383.495 2.549 20 0 GFADRO O=C1O[C@@H](C[NH+]2CCC(Cn3cc(Br)cn3)CC2)CC12CCC2 ZINC000375455710 563405842 /nfs/dbraw/zinc/40/58/42/563405842.db2.gz FEZZAFMNKCIJHR-OAHLLOKOSA-N 1 0 382.302 2.843 20 0 GFADRO C[C@@H]([NH2+][C@@H]1CCC(=O)N[C@H]1c1cncn1C)c1ccc(F)cc1Br ZINC000375514054 563408301 /nfs/dbraw/zinc/40/83/01/563408301.db2.gz VLVJRRDANXWDBF-LGFNAOKASA-N 1 0 395.276 2.992 20 0 GFADRO COc1cc2[nH+]ccc(NCCCN3CCOCC3)c2cc1Br ZINC000425200632 563410658 /nfs/dbraw/zinc/41/06/58/563410658.db2.gz LPIFTOHBOMZLKP-UHFFFAOYSA-N 1 0 380.286 2.562 20 0 GFADRO CNC(=O)[C@H]1CCC[C@H]1Nc1cc[nH+]c2cc(OC)c(Br)cc12 ZINC000425244789 563414201 /nfs/dbraw/zinc/41/42/01/563414201.db2.gz HWYFUPUFRGBXBI-GXFFZTMASA-N 1 0 378.270 2.754 20 0 GFADRO COC(=O)c1sc(NC[C@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)nc1Cl ZINC000301895002 563415463 /nfs/dbraw/zinc/41/54/63/563415463.db2.gz XMSYYDNRRPBPBM-CHWSQXEVSA-N 1 0 381.885 2.630 20 0 GFADRO COCCCn1nccc1C[NH2+]C[C@H](CO)Cc1ccccc1Br ZINC000282541282 563415618 /nfs/dbraw/zinc/41/56/18/563415618.db2.gz BTLNDXQLCDCTKZ-OAHLLOKOSA-N 1 0 396.329 2.623 20 0 GFADRO CCOc1cccc(C[NH2+]C[C@H]2CCN(S(=O)(=O)c3cccs3)C2)c1 ZINC000375751535 563416678 /nfs/dbraw/zinc/41/66/78/563416678.db2.gz TWQKCSPWDXNQNM-MRXNPFEDSA-N 1 0 380.535 2.947 20 0 GFADRO C[C@H]([NH2+]Cc1ccc(Br)c(Br)c1)C(=O)NCCF ZINC000282596474 563417333 /nfs/dbraw/zinc/41/73/33/563417333.db2.gz HFYBFHPCYRUYMF-QMMMGPOBSA-N 1 0 382.071 2.775 20 0 GFADRO CCOC(=O)[C@@H](C)[C@H](C)[NH2+]CC(=O)Nc1c(F)cc(F)cc1Br ZINC000282637591 563418667 /nfs/dbraw/zinc/41/86/67/563418667.db2.gz BJVLMGBUKKNGQF-IUCAKERBSA-N 1 0 393.228 2.843 20 0 GFADRO Brc1cnc2c(c1)nccc2N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000302097947 563420279 /nfs/dbraw/zinc/42/02/79/563420279.db2.gz JYXOXFZLYJMDBN-CQSZACIVSA-N 1 0 391.313 2.941 20 0 GFADRO CO[C@@H](C[N@@H+]1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1)C1CC1 ZINC000425424439 563421321 /nfs/dbraw/zinc/42/13/21/563421321.db2.gz NFTFTFLFUFRFRA-ZFWWWQNUSA-N 1 0 382.302 2.920 20 0 GFADRO C[NH+](C)C[C@H]1CCN(C(=O)C2(c3ccc(I)cc3)CC2)C1 ZINC000282784627 563424570 /nfs/dbraw/zinc/42/45/70/563424570.db2.gz PUISZPJSWMWBMD-CYBMUJFWSA-N 1 0 398.288 2.733 20 0 GFADRO C[C@H](Cc1ccc(Br)cc1)[NH2+][C@H]1CCN(c2ccn(C)n2)C1=O ZINC000375984302 563425923 /nfs/dbraw/zinc/42/59/23/563425923.db2.gz IKVBSDSLTNKSQU-DOMZBBRYSA-N 1 0 377.286 2.509 20 0 GFADRO Cc1cc(N2CCN(C(=O)COc3ccc(Br)cc3)CC2)cc[nH+]1 ZINC000302566923 563427111 /nfs/dbraw/zinc/42/71/11/563427111.db2.gz NQKYWFQFPLJXFX-UHFFFAOYSA-N 1 0 390.281 2.880 20 0 GFADRO OCC1([C@@H]([NH2+]CCOCC(F)(F)C(F)(F)F)C2CCOCC2)CCC1 ZINC000425552541 563427238 /nfs/dbraw/zinc/42/72/38/563427238.db2.gz ZNFUCWNXSZXKBB-ZDUSSCGKSA-N 1 0 375.378 2.748 20 0 GFADRO CN1C(=O)NCC12CC[NH+](Cc1cc(Br)cc3cccnc31)CC2 ZINC000425550549 563427392 /nfs/dbraw/zinc/42/73/92/563427392.db2.gz ZYSDLYYXYPUKHW-UHFFFAOYSA-N 1 0 389.297 2.987 20 0 GFADRO O=S(=O)(Cc1ccccc1C(F)(F)F)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000376129522 563430673 /nfs/dbraw/zinc/43/06/73/563430673.db2.gz LIMWRGXSJNYCJF-BBRMVZONSA-N 1 0 376.444 2.999 20 0 GFADRO CC1(c2ccc(F)cc2)CC([NH2+]C[C@@H](O)CS(=O)(=O)c2cccs2)C1 ZINC000376119703 563430712 /nfs/dbraw/zinc/43/07/12/563430712.db2.gz XCMKUPACWYCXTI-UPTPFMHGSA-N 1 0 383.510 2.732 20 0 GFADRO CN(CC[NH+](C)C)C(=O)NCc1cc(Cl)cc(I)c1 ZINC000425835548 563439438 /nfs/dbraw/zinc/43/94/38/563439438.db2.gz QHFIVUWLKBPCAL-UHFFFAOYSA-N 1 0 395.672 2.648 20 0 GFADRO C[N@@H+]1C[C@@H]2CCCN(C(=O)NCc3cc(F)c(F)cc3Br)[C@@H]2C1 ZINC000425789556 563437525 /nfs/dbraw/zinc/43/75/25/563437525.db2.gz YMFVHKFGXMQVFN-ZUZCIYMTSA-N 1 0 388.256 2.963 20 0 GFADRO C[NH+](C)C[C@@H]1CCN(C(=O)N[C@H]2COc3cc(F)c(Br)cc32)C1 ZINC000283170844 563437655 /nfs/dbraw/zinc/43/76/55/563437655.db2.gz NGGBULBEZJLGHD-HZMBPMFUSA-N 1 0 386.265 2.615 20 0 GFADRO Ic1cccc(C[NH2+][C@@H]2CCCN(c3ncccn3)C2)c1 ZINC000314130418 563438579 /nfs/dbraw/zinc/43/85/79/563438579.db2.gz LRUNDODKBZHIBF-OAHLLOKOSA-N 1 0 394.260 2.840 20 0 GFADRO O=C(Cc1ccc(Cl)s1)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000283227879 563439365 /nfs/dbraw/zinc/43/93/65/563439365.db2.gz OPKLNGDUIKUFLI-RDJZCZTQSA-N 1 0 378.925 2.943 20 0 GFADRO CC(C)(C)[NH+]1CCC(NC(=O)C(=O)NCc2ccc(Cl)cc2Cl)CC1 ZINC000283282888 563440609 /nfs/dbraw/zinc/44/06/09/563440609.db2.gz KWVMNOWHURAPGC-UHFFFAOYSA-N 1 0 386.323 2.989 20 0 GFADRO CC[N@H+](CCO)CCNC(=O)N[C@H]1c2cc(Br)ccc2CC1(C)C ZINC000425995760 563441238 /nfs/dbraw/zinc/44/12/38/563441238.db2.gz MSQNOOROUZGGOD-INIZCTEOSA-N 1 0 398.345 2.686 20 0 GFADRO C[NH+](C)C[C@](C)(O)CNC(=O)N[C@@H]1c2cccc(Br)c2CC1(C)C ZINC000426087455 563443436 /nfs/dbraw/zinc/44/34/36/563443436.db2.gz XLABYTJVSWDXGU-CRAIPNDOSA-N 1 0 398.345 2.684 20 0 GFADRO CC[C@H]1C[N@H+](C)CCCN1S(=O)(=O)c1ccc(OC)c(Br)c1 ZINC000318517303 563444119 /nfs/dbraw/zinc/44/41/19/563444119.db2.gz OUAKODCGSQJPSI-LBPRGKRZSA-N 1 0 391.331 2.563 20 0 GFADRO C[C@H](c1ncc(Br)cn1)N1CC[C@@H]2[C@H](CCC(=O)N2C2CC2)C1 ZINC000376505348 563444115 /nfs/dbraw/zinc/44/41/15/563444115.db2.gz GLLUIICSVWEYRP-LALPHHSUSA-N 1 0 379.302 2.775 20 0 GFADRO COC(=O)[C@@H]1CN(Cc2nc(-c3cccc(Br)c3)no2)C[C@H]1C ZINC000321335447 563447771 /nfs/dbraw/zinc/44/77/71/563447771.db2.gz VIPCBAJGYUESFC-ZWNOBZJWSA-N 1 0 380.242 2.740 20 0 GFADRO CCCC[N@H+](C)CCNC(=O)C(=O)Nc1cc(C)c(Br)c(C)c1 ZINC000426321294 563448624 /nfs/dbraw/zinc/44/86/24/563448624.db2.gz CQEKKHGJIBAYAJ-UHFFFAOYSA-N 1 0 384.318 2.853 20 0 GFADRO C[C@@](CO)([NH2+]C[C@H](O)COc1ccc(Br)cc1)c1ccccc1 ZINC000322484177 563449873 /nfs/dbraw/zinc/44/98/73/563449873.db2.gz DEHYNYZQBNZCRW-WMZOPIPTSA-N 1 0 380.282 2.686 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+]Cc2cc(Cl)ccc2OC(F)F)cc1 ZINC000324172484 563452452 /nfs/dbraw/zinc/45/24/52/563452452.db2.gz FVLKBOLASPZLFY-UHFFFAOYSA-N 1 0 376.812 2.879 20 0 GFADRO CN(CC(=O)NCc1cccs1)[C@@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000426995914 563458041 /nfs/dbraw/zinc/45/80/41/563458041.db2.gz VMPYZUFRWVDKPO-MRXNPFEDSA-N 1 0 377.897 2.755 20 0 GFADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)Nc1cc(F)cc(Br)c1F ZINC000427023438 563458435 /nfs/dbraw/zinc/45/84/35/563458435.db2.gz NOERBPWCCSPCJO-VIFPVBQESA-N 1 0 392.244 2.512 20 0 GFADRO CS(=O)(=O)CCOCC[NH2+][C@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000284093584 563463732 /nfs/dbraw/zinc/46/37/32/563463732.db2.gz BNEIVARFAGXCOZ-CVEARBPZSA-N 1 0 379.444 2.992 20 0 GFADRO Cc1cc(C[NH2+]Cc2ccc(Br)cc2N2CCOCC2)n(C)n1 ZINC000284147591 563466036 /nfs/dbraw/zinc/46/60/36/563466036.db2.gz ZDHJTUPMQIMZAH-UHFFFAOYSA-N 1 0 379.302 2.617 20 0 GFADRO COCc1nc(C(=O)N[C@H]2CC[N@H+](Cc3cnc(C)s3)C[C@H]2C)cs1 ZINC000377233487 563467946 /nfs/dbraw/zinc/46/79/46/563467946.db2.gz SZBHNKDIFRGNNE-RISCZKNCSA-N 1 0 380.539 2.695 20 0 GFADRO C[C@H]1OCC[C@]12CN(Cc1cc(Br)c3c(c1)OCCO3)CCO2 ZINC000377272228 563469248 /nfs/dbraw/zinc/46/92/48/563469248.db2.gz ANIUJRSNGLSZIT-PXAZEXFGSA-N 1 0 384.270 2.600 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1cc(Br)cnc1OCC1CC1 ZINC000328975157 563469718 /nfs/dbraw/zinc/46/97/18/563469718.db2.gz BGUZETMNZYSSLT-CVEARBPZSA-N 1 0 394.313 2.990 20 0 GFADRO Cc1noc([C@H]2CCN([C@H]3CCN(c4cccc(Br)c4)C3=O)C2)n1 ZINC000329024267 563470597 /nfs/dbraw/zinc/47/05/97/563470597.db2.gz JBTSWLJBKLBHIS-WFASDCNBSA-N 1 0 391.269 2.735 20 0 GFADRO COC(=O)[C@@H]1CC12CC[NH+](Cc1nc3ccccn3c1Br)CC2 ZINC000377396882 563473936 /nfs/dbraw/zinc/47/39/36/563473936.db2.gz DKSIXVXXMFIKGZ-LBPRGKRZSA-N 1 0 378.270 2.872 20 0 GFADRO Cn1cc(Br)c(C(=O)NCC[NH+]2CCC3(CCCCC3)CC2)n1 ZINC000329153898 563474167 /nfs/dbraw/zinc/47/41/67/563474167.db2.gz BUEURBRFIKVCGH-UHFFFAOYSA-N 1 0 383.334 2.959 20 0 GFADRO NC(=O)[C@H]([NH2+][C@H]1CCN(c2ccccc2F)C1)c1cccc(Br)c1 ZINC000427826433 563477177 /nfs/dbraw/zinc/47/71/77/563477177.db2.gz LODXRJJPZLHOFH-WMLDXEAASA-N 1 0 392.272 2.983 20 0 GFADRO C[C@H]1[NH2+]CCC[C@H]1C(=O)N1CCN(C(=O)c2cc3sccc3s2)CC1 ZINC000377530206 563477644 /nfs/dbraw/zinc/47/76/44/563477644.db2.gz NCZDYOWBSXVYNV-CHWSQXEVSA-N 1 0 377.535 2.635 20 0 GFADRO [NH3+]C[C@H]1CC[C@H](CNS(=O)(=O)c2cccc(OC(F)(F)F)c2F)CC1 ZINC000427961421 563478978 /nfs/dbraw/zinc/47/89/78/563478978.db2.gz YDVOIIJZKOANBB-XYPYZODXSA-N 1 0 384.395 2.768 20 0 GFADRO COC(=O)c1ccc(C[NH2+]CCCCCS(C)(=O)=O)c(Br)c1 ZINC000284531187 563479199 /nfs/dbraw/zinc/47/91/99/563479199.db2.gz ZZWUNOJVAZEDKB-UHFFFAOYSA-N 1 0 392.315 2.540 20 0 GFADRO CC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCCN(c3ccc(Br)cn3)C2)C1 ZINC000377581028 563479920 /nfs/dbraw/zinc/47/99/20/563479920.db2.gz JVRZXJZOKLTVCJ-GJZGRUSLSA-N 1 0 395.345 2.519 20 0 GFADRO CN(Cc1cc(O)ccc1Br)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000377617136 563480556 /nfs/dbraw/zinc/48/05/56/563480556.db2.gz ADMYGPQXFDLTGV-INIZCTEOSA-N 1 0 382.346 2.755 20 0 GFADRO O=C(NCC1CC[NH2+]CC1)[C@@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl ZINC000428136771 563483001 /nfs/dbraw/zinc/48/30/01/563483001.db2.gz LKKALGYXWSMVCN-INIZCTEOSA-N 1 0 384.307 2.714 20 0 GFADRO C[C@@H]1C[C@H](C)CN(S(=O)(=O)NC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)C1 ZINC000329618642 563483857 /nfs/dbraw/zinc/48/38/57/563483857.db2.gz LZMVCAPBJLUHBW-HPFXQQBRSA-N 1 0 385.599 2.943 20 0 GFADRO C[NH+](C)[C@H]1CCC[C@H](Nc2c(F)cc(S(N)(=O)=O)cc2Br)C1 ZINC000428175587 563484816 /nfs/dbraw/zinc/48/48/16/563484816.db2.gz JCUJPAAWSHBPBD-UWVGGRQHSA-N 1 0 394.310 2.520 20 0 GFADRO C[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCCN2c2nccs2)[C@@H]1c1cccs1 ZINC000377785639 563486518 /nfs/dbraw/zinc/48/65/18/563486518.db2.gz SQEOQYCOHJEAIU-IIAWOOMASA-N 1 0 376.551 2.983 20 0 GFADRO C[C@@H]([NH2+][C@@H]1CC(=O)N(C)[C@H]1c1ccnn1C)c1cccc(Br)c1 ZINC000284716950 563487257 /nfs/dbraw/zinc/48/72/57/563487257.db2.gz CDANNOKHQVHKTO-JDSLSITLSA-N 1 0 377.286 2.805 20 0 GFADRO C[N@@H+]1C[C@@H]2CN(S(=O)(=O)c3ccc(Cl)nc3)C[C@@H]2[C@@H]1c1ccccc1 ZINC000377842408 563488730 /nfs/dbraw/zinc/48/87/30/563488730.db2.gz DCIUBYSOLVVXKF-HFTRVMKXSA-N 1 0 377.897 2.658 20 0 GFADRO C[C@H](NC(=O)C(=O)NC1CC[NH+](C)CC1)c1cc(F)c(Cl)cc1Cl ZINC000284740236 563489174 /nfs/dbraw/zinc/48/91/74/563489174.db2.gz HOOWIMBIWRDUSZ-VIFPVBQESA-N 1 0 376.259 2.520 20 0 GFADRO CC(C)CNC(=O)NC(=O)[C@H](C)[NH2+][C@H](c1cncc(Br)c1)C1CC1 ZINC000284763957 563489658 /nfs/dbraw/zinc/48/96/58/563489658.db2.gz MGEOSZLQFCUNJL-NHYWBVRUSA-N 1 0 397.317 2.755 20 0 GFADRO Cc1[nH]c(=O)c(Br)cc1C(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000284860503 563492559 /nfs/dbraw/zinc/49/25/59/563492559.db2.gz DJCSRNKHIYZLIQ-GFCCVEGCSA-N 1 0 384.299 2.952 20 0 GFADRO C[N@@H+]1CC[C@H]2CCN(S(=O)(=O)c3ccc(Cl)c(Br)c3)[C@@H]2C1 ZINC000428426319 563492557 /nfs/dbraw/zinc/49/25/57/563492557.db2.gz XPVZMSIGEURXIX-IINYFYTJSA-N 1 0 393.734 2.817 20 0 GFADRO Cc1cc(Br)cc(CN2CC[N@H+](CCO)[C@H](C)C2)c1OC(F)F ZINC000428472002 563493288 /nfs/dbraw/zinc/49/32/88/563493288.db2.gz DLGJNQIPPJAPSP-GFCCVEGCSA-N 1 0 393.272 2.857 20 0 GFADRO Cc1[nH]c(=O)c(Br)cc1C(=O)Nc1nc2c(s1)CN(C)CC2 ZINC000285045573 563500237 /nfs/dbraw/zinc/50/02/37/563500237.db2.gz KBFMAUSSOVNSHQ-UHFFFAOYSA-N 1 0 383.271 2.555 20 0 GFADRO O=C1[C@@H]([NH2+][C@@H](CO)c2ccc(Br)cc2)CCCN1CC(F)(F)F ZINC000428815721 563502837 /nfs/dbraw/zinc/50/28/37/563502837.db2.gz VSXNQSCYJWELBD-STQMWFEESA-N 1 0 395.219 2.625 20 0 GFADRO C[C@@H]([NH3+])C1CCN(C(=O)CCNC(=O)Nc2ccc(Br)cc2)CC1 ZINC000428926793 563504445 /nfs/dbraw/zinc/50/44/45/563504445.db2.gz UKUMIEHMTDYLHG-GFCCVEGCSA-N 1 0 397.317 2.547 20 0 GFADRO CCCN(CC[NH+](CC)CC)C(=O)C(=O)Nc1nc(C(F)(F)F)cs1 ZINC000285130882 563504602 /nfs/dbraw/zinc/50/46/02/563504602.db2.gz INONWTHRGJZVQE-UHFFFAOYSA-N 1 0 380.436 2.681 20 0 GFADRO C[C@@H](NC(=O)c1[nH]nc(-c2ccccc2)c1Br)[C@H]1CCC[NH2+]C1 ZINC000428958093 563505057 /nfs/dbraw/zinc/50/50/57/563505057.db2.gz UIZIGISFSGTKEB-YPMHNXCESA-N 1 0 377.286 2.957 20 0 GFADRO COCCC[N@@H+]1CCCN(C(=O)C[C@@H](O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000378394590 563505282 /nfs/dbraw/zinc/50/52/82/563505282.db2.gz KMAKAMPSXJSCRM-QGZVFWFLSA-N 1 0 389.323 2.988 20 0 GFADRO COC(=O)c1ccc(Br)cc1CN1CC[N@H+](CC(C)(C)O)C[C@H]1C ZINC000330426581 563505420 /nfs/dbraw/zinc/50/54/20/563505420.db2.gz FIOYLHKLVRQDOT-CYBMUJFWSA-N 1 0 399.329 2.513 20 0 GFADRO C[C@H](NC(=O)[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)[C@@H]1CCC[NH2+]C1 ZINC000428966278 563505703 /nfs/dbraw/zinc/50/57/03/563505703.db2.gz JXGVSQXDHQDEGU-OUCADQQQSA-N 1 0 384.307 2.851 20 0 GFADRO O=C(CCCS(=O)(=O)c1ccc(Cl)cc1)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000285171091 563507033 /nfs/dbraw/zinc/50/70/33/563507033.db2.gz MWXHMBQCRXUWCN-IRXDYDNUSA-N 1 0 384.929 2.637 20 0 GFADRO C[C@@H]([NH2+]CC1(O)CCS(=O)(=O)CC1)[C@H](C)c1ccccc1C(F)(F)F ZINC000330518678 563508906 /nfs/dbraw/zinc/50/89/06/563508906.db2.gz JOHMTPWOIXQVSN-QWHCGFSZSA-N 1 0 379.444 2.727 20 0 GFADRO NS(=O)(=O)C1CC[NH+](CCSc2ccnc3cc(Cl)ccc32)CC1 ZINC000378496741 563509279 /nfs/dbraw/zinc/50/92/79/563509279.db2.gz MWMNYEMSAIMGBO-UHFFFAOYSA-N 1 0 385.942 2.733 20 0 GFADRO CCCN(C(=O)c1cc(F)ccc1I)[C@H]1CC[NH2+]C1 ZINC000429100681 563510243 /nfs/dbraw/zinc/51/02/43/563510243.db2.gz QBMLHSUJOCBRBG-NSHDSACASA-N 1 0 376.213 2.644 20 0 GFADRO C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000429119369 563510246 /nfs/dbraw/zinc/51/02/46/563510246.db2.gz YPKJFWGMVXNCAT-GHMZBOCLSA-N 1 0 375.694 2.986 20 0 GFADRO CC(=O)c1cc(Br)ccc1OCC(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000285237324 563510382 /nfs/dbraw/zinc/51/03/82/563510382.db2.gz YQEDMOSVKXUUDS-ZDUSSCGKSA-N 1 0 395.297 2.631 20 0 GFADRO CS(=O)(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCOc1c(Cl)cccc1Cl ZINC000330600935 563512435 /nfs/dbraw/zinc/51/24/35/563512435.db2.gz GCTQJSLVCMUQLM-ZIAGYGMSSA-N 1 0 381.325 2.822 20 0 GFADRO O=C(Nc1cc(Br)ccn1)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000285281448 563512474 /nfs/dbraw/zinc/51/24/74/563512474.db2.gz QPYNQUFJPSULCW-CABCVRRESA-N 1 0 397.317 2.734 20 0 GFADRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@H](C)C(=O)Nc1ccc(Br)c(C)c1 ZINC000330596716 563512523 /nfs/dbraw/zinc/51/25/23/563512523.db2.gz YLMJLZCOWIRODZ-KYOSRNDESA-N 1 0 382.302 2.589 20 0 GFADRO CCCNC(=O)NC(=O)C[NH2+][C@@H]1c2cc(Br)ccc2CC1(C)C ZINC000429296646 563514049 /nfs/dbraw/zinc/51/40/49/563514049.db2.gz SYTCJMLKRMWODC-OAHLLOKOSA-N 1 0 382.302 2.898 20 0 GFADRO Cc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2NS(C)(=O)=O)cc1Br ZINC000330619447 563514216 /nfs/dbraw/zinc/51/42/16/563514216.db2.gz ZGPORLNFBSDHTM-CABCVRRESA-N 1 0 375.332 2.708 20 0 GFADRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)c2cc(Cl)ccc2I)C1 ZINC000382444172 563516267 /nfs/dbraw/zinc/51/62/67/563516267.db2.gz RHJGTAPQPFLSLF-PSASIEDQSA-N 1 0 378.641 2.802 20 0 GFADRO CC1(C)Cc2c(cccc2Br)[C@@H]1[NH2+]CC(=O)NC(=O)NC1CC1 ZINC000429411903 563516373 /nfs/dbraw/zinc/51/63/73/563516373.db2.gz XEZLDJPKSHUMLY-HNNXBMFYSA-N 1 0 380.286 2.650 20 0 GFADRO COC[C@H]([NH2+]C[C@H](CO)Cc1ccc(Br)cc1)C1CCOCC1 ZINC000429455738 563516814 /nfs/dbraw/zinc/51/68/14/563516814.db2.gz QJGGSGWDRHUUAF-QAPCUYQASA-N 1 0 386.330 2.631 20 0 GFADRO C[NH2+]C[C@@H]1CCCN1C(=O)c1cc(I)ccc1Cl ZINC000429512336 563517839 /nfs/dbraw/zinc/51/78/39/563517839.db2.gz RXLWLQQUEBTCDV-JTQLQIEISA-N 1 0 378.641 2.769 20 0 GFADRO Cc1cc(COc2ccc(C(=O)N[C@H](C[NH3+])C3CC3)cc2Br)on1 ZINC000429550522 563518475 /nfs/dbraw/zinc/51/84/75/563518475.db2.gz XUXRRTSSTMDXLQ-OAHLLOKOSA-N 1 0 394.269 2.792 20 0 GFADRO CS(=O)(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(OCC(F)(F)F)c1 ZINC000429723450 563521310 /nfs/dbraw/zinc/52/13/10/563521310.db2.gz VBWPYXPTUHXQCH-HUUCEWRRSA-N 1 0 380.432 2.578 20 0 GFADRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)c1cc(Br)ccc1Br ZINC000389793628 563522082 /nfs/dbraw/zinc/52/20/82/563522082.db2.gz RVMRRYJJNYIXSV-QPUJVOFHSA-N 1 0 376.092 2.939 20 0 GFADRO CC(C)[C@H](CNS(=O)(=O)c1cc(Cl)ccc1Cl)N1CC[NH+](C)CC1 ZINC000330812324 563522282 /nfs/dbraw/zinc/52/22/82/563522282.db2.gz PBNLRPOUOWZJMK-HNNXBMFYSA-N 1 0 394.368 2.544 20 0 GFADRO CC1(C)C[NH2+]CC[C@H]1NS(=O)(=O)c1ccc(Cl)c(Br)c1 ZINC000390217162 563522605 /nfs/dbraw/zinc/52/26/05/563522605.db2.gz MPELDTSVNUMSAR-GFCCVEGCSA-N 1 0 381.723 2.769 20 0 GFADRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NS(=O)(=O)c1cc(Cl)ccc1Br ZINC000429845296 563525884 /nfs/dbraw/zinc/52/58/84/563525884.db2.gz MYPGZUZMXNBDDM-RNCFNFMXSA-N 1 0 393.734 2.864 20 0 GFADRO Cc1ccc(OC[C@@H](O)C[NH2+]CCCn2cc(Br)cn2)c(C)c1 ZINC000391945807 563526190 /nfs/dbraw/zinc/52/61/90/563526190.db2.gz DFSBKAINHCHDIY-INIZCTEOSA-N 1 0 382.302 2.682 20 0 GFADRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)CCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000285575991 563527198 /nfs/dbraw/zinc/52/71/98/563527198.db2.gz HYSGQFKOPQIIIG-PBHICJAKSA-N 1 0 386.945 2.693 20 0 GFADRO C[N@H+]1CC=C(CNS(=O)(=O)c2ccc(Cl)c(Br)c2)CC1 ZINC000392808969 563527928 /nfs/dbraw/zinc/52/79/28/563527928.db2.gz ZVFAJLAJIORSTC-UHFFFAOYSA-N 1 0 379.707 2.643 20 0 GFADRO C[C@@H]1C[C@@H](C)N(C(=O)c2csc(I)c2)C[C@H]1C[NH3+] ZINC000397247868 563531964 /nfs/dbraw/zinc/53/19/64/563531964.db2.gz BLGJPYVFSRBXAK-FXPVBKGRSA-N 1 0 378.279 2.798 20 0 GFADRO C[NH+]1CC2(C1)CCN(C(=O)c1cc(Cl)ccc1I)C2 ZINC000398712016 563532837 /nfs/dbraw/zinc/53/28/37/563532837.db2.gz PCATZCKGPJMPJC-UHFFFAOYSA-N 1 0 390.652 2.722 20 0 GFADRO C[C@@H]1CCCN(CC(=O)N(C)Cc2ccccc2Br)[C@@H]1CC[NH3+] ZINC000404268356 563536738 /nfs/dbraw/zinc/53/67/38/563536738.db2.gz IXSHPPKECIQOEL-RHSMWYFYSA-N 1 0 382.346 2.857 20 0 GFADRO C[C@@H](C(=O)NC[C@@H](CO)Cc1ccc(Br)cc1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000430169260 563537810 /nfs/dbraw/zinc/53/78/10/563537810.db2.gz PCNMFQDTOUYFOX-IVSAIRAKSA-N 1 0 397.357 2.978 20 0 GFADRO O=C(C[NH2+]C[C@H]1CCCO1)N(Cc1cc(Br)ccc1F)C1CC1 ZINC000430175881 563538226 /nfs/dbraw/zinc/53/82/26/563538226.db2.gz DOVKOHVZKJHTPB-OAHLLOKOSA-N 1 0 385.277 2.848 20 0 GFADRO C[C@@H]1C[C@H](N2CCOCC2)CN1C(=O)/C=C/c1ccc(Br)s1 ZINC000285825780 563538763 /nfs/dbraw/zinc/53/87/63/563538763.db2.gz OBUUEDIJLAIOCH-CBSYICTRSA-N 1 0 385.327 2.845 20 0 GFADRO C[C@@H]1CC(O)C[C@@H](C)[NH+]1C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000331181606 563539128 /nfs/dbraw/zinc/53/91/28/563539128.db2.gz LURXVRNVHASMHX-HFAKWTLXSA-N 1 0 376.266 2.562 20 0 GFADRO COCC[C@]1(C(=O)NCC(C)(C)c2cccc(Br)c2)CC[NH2+]C1 ZINC000430246525 563539313 /nfs/dbraw/zinc/53/93/13/563539313.db2.gz FBJROVRIYALENF-GOSISDBHSA-N 1 0 383.330 2.859 20 0 GFADRO Clc1ccc(I)c(Cn2cc(C[NH2+]C3CC3)nn2)c1 ZINC000405378543 563539524 /nfs/dbraw/zinc/53/95/24/563539524.db2.gz MPRHWINODWZZLG-UHFFFAOYSA-N 1 0 388.640 2.836 20 0 GFADRO CC(C)[C@H]([NH3+])CCN(C)CC(=O)N(C)Cc1cc(Br)cs1 ZINC000430550390 563545145 /nfs/dbraw/zinc/54/51/45/563545145.db2.gz OKSVDLQZRCNJEK-CQSZACIVSA-N 1 0 376.364 2.774 20 0 GFADRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1cc(Br)c2c(c1)OCCO2 ZINC000408044127 563542756 /nfs/dbraw/zinc/54/27/56/563542756.db2.gz SRCRNDHDZYNXMN-KBPBESRZSA-N 1 0 381.270 2.577 20 0 GFADRO [NH3+]CC[C@H]1CCCCN1C(=O)c1ccn(-c2cccc(Br)c2)n1 ZINC000285987546 563544666 /nfs/dbraw/zinc/54/46/66/563544666.db2.gz IAMHLGXZPJYRGA-CQSZACIVSA-N 1 0 377.286 2.978 20 0 GFADRO CC(C)[C@@H]([NH3+])CCN(C)CC(=O)N(C)Cc1cc(Br)cs1 ZINC000430550387 563545095 /nfs/dbraw/zinc/54/50/95/563545095.db2.gz OKSVDLQZRCNJEK-AWEZNQCLSA-N 1 0 376.364 2.774 20 0 GFADRO C[C@H]1CCCN(CC(=O)Nc2c(F)cc(F)cc2Br)[C@@H]1C[NH3+] ZINC000430556617 563545285 /nfs/dbraw/zinc/54/52/85/563545285.db2.gz LCAKLOKRDKWMGY-TVQRCGJNSA-N 1 0 376.245 2.725 20 0 GFADRO C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)c1cc(F)ccc1I ZINC000286000290 563545303 /nfs/dbraw/zinc/54/53/03/563545303.db2.gz ISZDSISTAGEMBG-KKFJDGPESA-N 1 0 376.213 2.547 20 0 GFADRO CC[NH2+]CC1CCN(CCS(=O)(=O)c2cccc(Br)c2)CC1 ZINC000430562291 563545761 /nfs/dbraw/zinc/54/57/61/563545761.db2.gz QGNMOYMRUGKVBD-UHFFFAOYSA-N 1 0 389.359 2.544 20 0 GFADRO C[C@@H](C(=O)Nc1cccc(Br)c1)N1CCC(OCCC[NH3+])CC1 ZINC000430592823 563546102 /nfs/dbraw/zinc/54/61/02/563546102.db2.gz IBUKHGCTXSQSIO-ZDUSSCGKSA-N 1 0 384.318 2.606 20 0 GFADRO C[C@@H](C(=O)NC[C@H]1CCCC[N@@H+]1CCO)c1ccc(Br)s1 ZINC000331344047 563546533 /nfs/dbraw/zinc/54/65/33/563546533.db2.gz UMKDWYMYKSDVFT-VXGBXAGGSA-N 1 0 375.332 2.577 20 0 GFADRO O=S(=O)(c1ccc(Br)o1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000408213159 563547389 /nfs/dbraw/zinc/54/73/89/563547389.db2.gz DQFUZTVOZRDSRF-GFCCVEGCSA-N 1 0 377.304 2.681 20 0 GFADRO CO[C@@H]1CCC[C@@H]1C[NH2+][C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430707656 563548289 /nfs/dbraw/zinc/54/82/89/563548289.db2.gz QFASAMKCEFWWRU-ZKYQVNSYSA-N 1 0 391.331 2.562 20 0 GFADRO C[C@@H]([NH2+]C[C@H]1CCCS1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430712322 563548454 /nfs/dbraw/zinc/54/84/54/563548454.db2.gz HOBWOKPRTMGWAW-MWLCHTKSSA-N 1 0 379.345 2.643 20 0 GFADRO CCCN(C(=O)[C@H](C)NC(=O)c1ccc(Br)cc1)C1CC[NH2+]CC1 ZINC000430834455 563549654 /nfs/dbraw/zinc/54/96/54/563549654.db2.gz XFNOSAHGFTYCLU-ZDUSSCGKSA-N 1 0 396.329 2.558 20 0 GFADRO C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)Nc1nnc(-c2c(F)cccc2Cl)s1 ZINC000408342332 563551913 /nfs/dbraw/zinc/55/19/13/563551913.db2.gz KBBMJWUEJVMAMB-UWVGGRQHSA-N 1 0 383.880 3.554 20 0 GFADRO C[C@@H]([NH2+]CC1(c2cccc(Br)c2)CCOCC1)c1ccc(=O)[nH]n1 ZINC000286193230 563551992 /nfs/dbraw/zinc/55/19/92/563551992.db2.gz RJQAORDQWKVVHP-CYBMUJFWSA-N 1 0 392.297 2.931 20 0 GFADRO O=S(=O)(CCN1CCC2(CC[NH2+]C2)CC1)c1cc(Cl)ccc1Cl ZINC000431025794 563552278 /nfs/dbraw/zinc/55/22/78/563552278.db2.gz BWNFZECQBFEREU-UHFFFAOYSA-N 1 0 377.337 2.843 20 0 GFADRO Cc1cc(C(=O)NCC[NH+]2CCCC2)nn1-c1ccc(Br)cc1 ZINC000431169864 563555718 /nfs/dbraw/zinc/55/57/18/563555718.db2.gz NRCSDRMUACMBKP-UHFFFAOYSA-N 1 0 377.286 2.769 20 0 GFADRO C[C@@H]1[C@H](C)N(C(=O)Nc2cc(Br)cnc2-n2cccn2)CC[N@H+]1C ZINC000408444293 563556584 /nfs/dbraw/zinc/55/65/84/563556584.db2.gz RXEHEDQGHAXAIN-NEPJUHHUSA-N 1 0 393.289 2.586 20 0 GFADRO CN(C(=O)NC[C@]1(C)CCC[NH2+]C1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000331728002 563559689 /nfs/dbraw/zinc/55/96/89/563559689.db2.gz ZEHJIUOGKQWDDI-JFIYKMOQSA-N 1 0 386.323 2.983 20 0 GFADRO COC(=O)c1csc(S(=O)(=O)N2CCC[C@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)c1 ZINC000409469503 563561632 /nfs/dbraw/zinc/56/16/32/563561632.db2.gz NHBZHSOFHIXFAR-GUTXKFCHSA-N 1 0 386.539 2.561 20 0 GFADRO Cc1cc(C)c(S(=O)(=O)N2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)s1 ZINC000431533435 563562073 /nfs/dbraw/zinc/56/20/73/563562073.db2.gz ROKWUZGEBAZOOQ-HOTGVXAUSA-N 1 0 385.599 2.544 20 0 GFADRO O=S(=O)(CCC1CCOCC1)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000431541791 563562482 /nfs/dbraw/zinc/56/24/82/563562482.db2.gz AYSUVBAKESTHOG-KRWDZBQOSA-N 1 0 386.583 2.696 20 0 GFADRO C[C@](O)(C[NH2+]Cc1ncc(I)s1)c1cccs1 ZINC000286536691 563564517 /nfs/dbraw/zinc/56/45/17/563564517.db2.gz NZZZZISPNPGZCR-NSHDSACASA-N 1 0 380.276 2.807 20 0 GFADRO CC[N@@H+]1CCN(CC(=O)Nc2c(Cl)cc(Cl)cc2C(=O)OC)[C@H](C)C1 ZINC000286582567 563566781 /nfs/dbraw/zinc/56/67/81/563566781.db2.gz QGFDBMLSVYILJC-LLVKDONJSA-N 1 0 388.295 2.745 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)Cc1ccc(Br)cc1O)Cc1ccccc1 ZINC000431682724 563566800 /nfs/dbraw/zinc/56/68/00/563566800.db2.gz VAFQVCQEWHAZKU-KRWDZBQOSA-N 1 0 391.309 2.986 20 0 GFADRO [NH3+]C1(CNC(=O)N2CCC(n3cc(Br)cn3)CC2)CCCCC1 ZINC000331912582 563567083 /nfs/dbraw/zinc/56/70/83/563567083.db2.gz NGOPOJRPUUMJIV-UHFFFAOYSA-N 1 0 384.322 2.654 20 0 GFADRO C[N@@H+]1CCN(CCNc2ccnc3c(Br)ccc(F)c23)CC1(C)C ZINC000409642006 563567203 /nfs/dbraw/zinc/56/72/03/563567203.db2.gz PZCKAYNYPFUIBH-UHFFFAOYSA-N 1 0 395.320 2.996 20 0 GFADRO CC[NH+](CC)C[C@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc(C(=O)OC)s1 ZINC000431894923 563570483 /nfs/dbraw/zinc/57/04/83/563570483.db2.gz VWRKZBNFBZNGDN-KGLIPLIRSA-N 1 0 388.555 2.714 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N2CCC([NH+](C)C)CC2)c(Br)c1 ZINC000431969428 563571880 /nfs/dbraw/zinc/57/18/80/563571880.db2.gz DYULRKUGIYSBGN-UHFFFAOYSA-N 1 0 382.302 2.557 20 0 GFADRO Cc1c([C@H]2OCC[C@@H]2[NH2+]Cc2ccc(I)cc2)cnn1C ZINC000431964595 563572227 /nfs/dbraw/zinc/57/22/27/563572227.db2.gz IUQVCULTXDOWMC-JKSUJKDBSA-N 1 0 397.260 2.953 20 0 GFADRO CCS(=O)(=O)C[C@@H](C)NCc1cnn(-c2ccc(C(F)(F)F)cc2)c1 ZINC000286744433 563573060 /nfs/dbraw/zinc/57/30/60/563573060.db2.gz YIWLWBLHIYUTRR-GFCCVEGCSA-N 1 0 375.416 2.804 20 0 GFADRO O=S(=O)(c1cccs1)N1CCC[C@@H]([NH2+][C@@H]2CCO[C@@H](C(F)(F)F)C2)C1 ZINC000286864987 563578312 /nfs/dbraw/zinc/57/83/12/563578312.db2.gz BKBMWXAOVFAFDE-JHJVBQTASA-N 1 0 398.472 2.601 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@@H](NC(=O)[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C1 ZINC000332219626 563584610 /nfs/dbraw/zinc/58/46/10/563584610.db2.gz XVJXUHIYENVXHK-YRGRVCCFSA-N 1 0 384.307 2.945 20 0 GFADRO CCCC[NH+]1CCC(NC(=O)N[C@H](C)c2ncc(Br)cn2)CC1 ZINC000432528467 563586153 /nfs/dbraw/zinc/58/61/53/563586153.db2.gz WVFLQBFTEMDKDU-GFCCVEGCSA-N 1 0 384.322 2.864 20 0 GFADRO CN(C)S(=O)(=O)N1CCCC[C@@H]1C[NH2+][C@H]1CCSc2c(F)cccc21 ZINC000332295833 563590809 /nfs/dbraw/zinc/59/08/09/563590809.db2.gz DEXRERJUWFSHPZ-CJNGLKHVSA-N 1 0 387.546 2.613 20 0 GFADRO COc1ccc([C@H](C)[NH2+]C[C@H]2CCCS(=O)(=O)C2)c(Br)c1 ZINC000287212091 563591696 /nfs/dbraw/zinc/59/16/96/563591696.db2.gz WZFYKUASAQAVKP-NWDGAFQWSA-N 1 0 376.316 2.933 20 0 GFADRO C[C@@H]1CCN(C(=O)N[C@H]2COc3cc(F)c(Br)cc32)[C@@H](C[NH3+])C1 ZINC000332316124 563592518 /nfs/dbraw/zinc/59/25/18/563592518.db2.gz NPEBGEYBQHHKIK-RULNRJAQSA-N 1 0 386.265 2.791 20 0 GFADRO CNC(=O)c1cccc(NC(=O)NCCC2CC[NH+](C)CC2)c1Br ZINC000287258060 563593503 /nfs/dbraw/zinc/59/35/03/563593503.db2.gz CYMREKLHVXMYFY-UHFFFAOYSA-N 1 0 397.317 2.662 20 0 GFADRO O=C(Nc1cc(F)c(I)c(F)c1)N[C@H]1CCCC[NH2+]C1 ZINC000332341031 563594407 /nfs/dbraw/zinc/59/44/07/563594407.db2.gz NNALRXSDFPHPJZ-QMMMGPOBSA-N 1 0 395.191 2.833 20 0 GFADRO C[C@@H]([NH2+]CCCn1cc(Br)cn1)c1ccc(S(C)(=O)=O)cc1 ZINC000287274227 563594439 /nfs/dbraw/zinc/59/44/39/563594439.db2.gz QZGGRAWTCSUMJV-GFCCVEGCSA-N 1 0 386.315 2.790 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000332373630 563595687 /nfs/dbraw/zinc/59/56/87/563595687.db2.gz SQDDPJURGLREPM-AEGPPILISA-N 1 0 394.313 2.590 20 0 GFADRO C[C@H]1C[C@@H](N(C)C(=O)C(=O)N(C)Cc2cc(Cl)cc(Cl)c2)CC[N@@H+]1C ZINC000410733559 563595891 /nfs/dbraw/zinc/59/58/91/563595891.db2.gz POFGCPWVHZALMR-LRDDRELGSA-N 1 0 386.323 2.893 20 0 GFADRO COc1cc[nH+]c(N2CCN(S(=O)(=O)c3ccc(Cl)cc3C)CC2)c1 ZINC000332407621 563597736 /nfs/dbraw/zinc/59/77/36/563597736.db2.gz ZEOQPXJFQDAFGV-UHFFFAOYSA-N 1 0 381.885 2.563 20 0 GFADRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)c1cnc2ccc(Br)cc2c1O ZINC000332423368 563598241 /nfs/dbraw/zinc/59/82/41/563598241.db2.gz DFTXVABUFKCZGP-LBPRGKRZSA-N 1 0 392.297 2.704 20 0 GFADRO C[C@H]([NH2+]CCCN1C(=O)c2ccccc2C1=O)c1ncc(Br)cn1 ZINC000432992973 563599665 /nfs/dbraw/zinc/59/96/65/563599665.db2.gz KZKHJAUJLKFBNS-NSHDSACASA-N 1 0 389.253 2.576 20 0 GFADRO COC(=O)c1occc1C[NH2+]C[C@H](CO)Cc1cccc(Br)c1 ZINC000433030683 563600884 /nfs/dbraw/zinc/60/08/84/563600884.db2.gz GMPYRECQFLGCGN-CYBMUJFWSA-N 1 0 382.254 2.770 20 0 GFADRO C[C@@H](c1cccc(Br)c1)[NH+]1CCC([C@]2(C)NC(=O)NC2=O)CC1 ZINC000332477302 563601140 /nfs/dbraw/zinc/60/11/40/563601140.db2.gz VJOIHXZDLGUMNR-GTNSWQLSSA-N 1 0 380.286 2.820 20 0 GFADRO C[C@@H]1CN2CCCC[C@@H]2CN1C(=O)C(=O)Nc1ccc(F)cc1Br ZINC000332515601 563602396 /nfs/dbraw/zinc/60/23/96/563602396.db2.gz WRYFVXPGXHSCSA-DGCLKSJQSA-N 1 0 398.276 2.612 20 0 GFADRO COC(=O)c1cc(NC(=O)NCC[N@H+](C)C(C)C)cc(Br)c1F ZINC000433111221 563603463 /nfs/dbraw/zinc/60/34/63/563603463.db2.gz SZEUEJJMUYLKOG-UHFFFAOYSA-N 1 0 390.253 2.837 20 0 GFADRO O=C(Nc1cc(Cl)c(Cl)cc1Cl)C(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000332560608 563604038 /nfs/dbraw/zinc/60/40/38/563604038.db2.gz QFVBXOALYQWVCP-IUCAKERBSA-N 1 0 376.671 2.653 20 0 GFADRO CNC(=O)c1cccc(NC(=O)N[C@@H](C)C[NH+]2CCCCC2)c1Br ZINC000287496449 563604428 /nfs/dbraw/zinc/60/44/28/563604428.db2.gz TUDYWEYBFATSPV-LBPRGKRZSA-N 1 0 397.317 2.805 20 0 GFADRO CCN(CC)S(=O)(=O)c1cc(NC(=O)[C@H](C[NH3+])C(C)C)ccc1Cl ZINC000433159855 563604710 /nfs/dbraw/zinc/60/47/10/563604710.db2.gz NBLWQXVZYJEFKN-CYBMUJFWSA-N 1 0 375.922 2.540 20 0 GFADRO O=C(Nc1cc(Cl)c(Cl)cc1Cl)C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000332569408 563604765 /nfs/dbraw/zinc/60/47/65/563604765.db2.gz VTCACEXJZJXPCH-PRHODGIISA-N 1 0 376.671 2.796 20 0 GFADRO CN1CC[NH+](CCC(C)(C)NC(=O)Nc2ncc(C(F)(F)F)s2)CC1 ZINC000332566473 563604865 /nfs/dbraw/zinc/60/48/65/563604865.db2.gz SSYINVUTUUGWJQ-UHFFFAOYSA-N 1 0 379.452 2.700 20 0 GFADRO CC(C)[C@H](C[NH3+])C(=O)N1CCN([C@@H](C)c2ccc(Br)cc2)CC1 ZINC000433177665 563604911 /nfs/dbraw/zinc/60/49/11/563604911.db2.gz VGYGJSJBCKCMJV-YOEHRIQHSA-N 1 0 382.346 2.885 20 0 GFADRO C[NH+]1CCC(O)(CNC(=O)Nc2cccc(Cl)c2OCC(F)F)CC1 ZINC000287583033 563608494 /nfs/dbraw/zinc/60/84/94/563608494.db2.gz MFIRGXXDDRPPNO-UHFFFAOYSA-N 1 0 377.819 2.562 20 0 GFADRO CC(C)CS(=O)(=O)N1CCC([NH2+]Cc2ncc(C(F)(F)F)s2)CC1 ZINC000433318396 563609106 /nfs/dbraw/zinc/60/91/06/563609106.db2.gz OKHAKYRSJAIVEZ-UHFFFAOYSA-N 1 0 385.477 2.702 20 0 GFADRO C[C@@H]1CCN(C(=O)Nc2ccc3nccnc3c2Br)C[C@H]1C[NH3+] ZINC000332645534 563609748 /nfs/dbraw/zinc/60/97/48/563609748.db2.gz WVHVVMYQCGEIRG-GHMZBOCLSA-N 1 0 378.274 2.841 20 0 GFADRO C[C@@H](C[NH+](C)C)NC(=O)NCC1(c2cccc(Br)c2)CCOCC1 ZINC000287608943 563610173 /nfs/dbraw/zinc/61/01/73/563610173.db2.gz MVHIDZVBHPELNL-AWEZNQCLSA-N 1 0 398.345 2.747 20 0 GFADRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)S(=O)(=O)c1c(F)cccc1OC(F)(F)F ZINC000287719102 563615003 /nfs/dbraw/zinc/61/50/03/563615003.db2.gz GKACNXNDDQLONC-JQWIXIFHSA-N 1 0 384.395 2.685 20 0 GFADRO Cc1ccc(S(=O)(=O)NC[C@H]2CCC[N@H+](CCc3cncs3)C2)cc1 ZINC000411352091 563616061 /nfs/dbraw/zinc/61/60/61/563616061.db2.gz JOUAQICKMVYVSI-MRXNPFEDSA-N 1 0 379.551 2.685 20 0 GFADRO COc1cc(NC(=O)CC[N@H+](C)C[C@@H](O)C(F)(F)F)c(OC)cc1Cl ZINC000411439827 563619476 /nfs/dbraw/zinc/61/94/76/563619476.db2.gz QXZNALHTPOPCMV-CYBMUJFWSA-N 1 0 384.782 2.541 20 0 GFADRO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(Cc2cnc3ccc(Br)cn23)CC1 ZINC000333109805 563620802 /nfs/dbraw/zinc/62/08/02/563620802.db2.gz GFAYAHDGJGQBHN-SJLPKXTDSA-N 1 0 393.329 2.815 20 0 GFADRO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]C[C@@H](O)Cc2cccc(Cl)c2)cc1 ZINC000287885159 563621081 /nfs/dbraw/zinc/62/10/81/563621081.db2.gz SZJYEKCSSJYFBU-DYVFJYSZSA-N 1 0 382.913 2.502 20 0 GFADRO COc1cc(Br)c(NC(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1OC ZINC000333180621 563623194 /nfs/dbraw/zinc/62/31/94/563623194.db2.gz RVTTXPYOUCZYDH-ZYHUDNBSSA-N 1 0 384.274 2.682 20 0 GFADRO COCC[N@@H+]1CC[C@@H](NC(=O)N(C)Cc2ccc(Br)cc2C)C1 ZINC000433905011 563623310 /nfs/dbraw/zinc/62/33/10/563623310.db2.gz VSWBZYKXWLJDAP-MRXNPFEDSA-N 1 0 384.318 2.620 20 0 GFADRO Cn1cc(Br)cc(NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)c1=O ZINC000333180993 563623412 /nfs/dbraw/zinc/62/34/12/563623412.db2.gz SIUGTUKUBGDBPW-LBPRGKRZSA-N 1 0 382.302 2.741 20 0 GFADRO C[C@@H](O)C[N@@H+]1CCN(Cc2c(F)c(F)c(Br)c(F)c2F)[C@H](C)C1 ZINC000411576712 563624514 /nfs/dbraw/zinc/62/45/14/563624514.db2.gz XZZYAMAOAUIJAF-RKDXNWHRSA-N 1 0 399.226 2.892 20 0 GFADRO CC[C@@H]([NH2+]C[C@H](O)Cc1cccc(Cl)c1)c1cccc(S(N)(=O)=O)c1 ZINC000287965892 563624563 /nfs/dbraw/zinc/62/45/63/563624563.db2.gz YYPIIBXKYGNDSA-SJLPKXTDSA-N 1 0 382.913 2.632 20 0 GFADRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)Nc3cc(Br)ccc3-n3cccn3)C[C@H]12 ZINC000333223325 563624960 /nfs/dbraw/zinc/62/49/60/563624960.db2.gz WZEGWXDJFFEJCP-FPMFFAJLSA-N 1 0 390.285 2.836 20 0 GFADRO O=C(Nc1nnc(-c2ccc(Cl)cc2F)s1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000333267005 563625987 /nfs/dbraw/zinc/62/59/87/563625987.db2.gz FOMZLJKNDLKTFM-NOZJJQNGSA-N 1 0 381.864 3.213 20 0 GFADRO O=C(Nc1ccc2nccnc2c1Br)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000333281038 563626697 /nfs/dbraw/zinc/62/66/97/563626697.db2.gz HPILHYDTXBBQLI-QWRGUYRKSA-N 1 0 376.258 2.608 20 0 GFADRO Cc1cc(NC(=O)C(=O)NCC[C@@H]2CCC[N@@H+](C)C2)cc(C)c1Br ZINC000411667263 563628493 /nfs/dbraw/zinc/62/84/93/563628493.db2.gz HTOXQWPSLQFDKE-AWEZNQCLSA-N 1 0 396.329 2.853 20 0 GFADRO [NH3+][C@H]1CCO[C@@H](C2CCN(C(=O)c3ccc(Br)c(F)c3)CC2)C1 ZINC000333337512 563628811 /nfs/dbraw/zinc/62/88/11/563628811.db2.gz XHVYNUOZCADWFP-XJKSGUPXSA-N 1 0 385.277 2.947 20 0 GFADRO C[N@@H+]1CCC[C@@H](CCNC(=O)C(=O)Nc2cc(Cl)c(F)c(Cl)c2)C1 ZINC000411671508 563628942 /nfs/dbraw/zinc/62/89/42/563628942.db2.gz MCIZUZKQGMPLLS-JTQLQIEISA-N 1 0 376.259 2.919 20 0 GFADRO C[C@H]1C[C@@]1([NH2+]CCC(=O)NC(=O)NCC(F)(F)F)c1ccc(Cl)cc1 ZINC000411695511 563630111 /nfs/dbraw/zinc/63/01/11/563630111.db2.gz SZAPYLBAQKFCGV-BONVTDFDSA-N 1 0 377.794 2.943 20 0 GFADRO O=C(Nc1nnc(-c2ccc(Cl)cc2F)s1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000333381349 563630212 /nfs/dbraw/zinc/63/02/12/563630212.db2.gz WIGNWBSNYWXHCW-MRXNPFEDSA-N 1 0 381.864 3.215 20 0 GFADRO C[C@@H](CNc1cc(Br)cnc1Br)N1CC[NH+](C)CC1 ZINC000288132003 563630384 /nfs/dbraw/zinc/63/03/84/563630384.db2.gz YMPZOIRCYUGAAV-JTQLQIEISA-N 1 0 392.139 2.654 20 0 GFADRO O=S(=O)(c1cccnc1C(F)(F)F)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000288171058 563632054 /nfs/dbraw/zinc/63/20/54/563632054.db2.gz OUJVZAUZALYCPR-ZDUSSCGKSA-N 1 0 377.432 2.597 20 0 GFADRO O=C(NC[C@H]1CCCC[N@@H+]1C1CC1)C(=O)Nc1cc(F)ccc1Br ZINC000434557978 563632525 /nfs/dbraw/zinc/63/25/25/563632525.db2.gz TVUOXICEBXVUSD-CYBMUJFWSA-N 1 0 398.276 2.660 20 0 GFADRO O=C(CC[NH2+][C@H](C1CC1)[C@@]1(CO)CCCO1)Nc1cccc(Br)c1 ZINC000411774654 563633537 /nfs/dbraw/zinc/63/35/37/563633537.db2.gz VXKDZLQJBAAWMO-MSOLQXFVSA-N 1 0 397.313 2.687 20 0 GFADRO O=C(CC[NH2+][C@@H](C1CC1)[C@@]1(CO)CCCO1)Nc1ccccc1Br ZINC000411772872 563633745 /nfs/dbraw/zinc/63/37/45/563633745.db2.gz RMMQHKSWYXJQHK-ROUUACIJSA-N 1 0 397.313 2.687 20 0 GFADRO COc1ccc(Br)cc1C(=O)CCC(=O)N1CC[NH2+][C@@H](C)[C@@H]1C ZINC000434673591 563634644 /nfs/dbraw/zinc/63/46/44/563634644.db2.gz RJBRUGAYQKBQNO-RYUDHWBXSA-N 1 0 383.286 2.629 20 0 GFADRO [NH3+][C@H]1CCCO[C@@H]1C1CCN(S(=O)(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000333636670 563637280 /nfs/dbraw/zinc/63/72/80/563637280.db2.gz HLFPYIIVKZYSLK-GOEBONIOSA-N 1 0 393.336 2.900 20 0 GFADRO [NH3+][C@@H]1CCO[C@@H](C2CCN(S(=O)(=O)c3cc(Cl)cc(Cl)c3)CC2)C1 ZINC000333653911 563637970 /nfs/dbraw/zinc/63/79/70/563637970.db2.gz KHDFOVRXKCCTIB-GDBMZVCRSA-N 1 0 393.336 2.900 20 0 GFADRO O=C(Nc1cc(Cl)cc(Cl)c1)[C@H]1CCCN1C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000333651102 563638150 /nfs/dbraw/zinc/63/81/50/563638150.db2.gz JUNBSDFPOGCPJF-UKRRQHHQSA-N 1 0 385.295 2.858 20 0 GFADRO Brc1cc(C[NH2+]CC2(N3CCOCC3)CC2)cc2c1OCCCO2 ZINC000434794505 563638720 /nfs/dbraw/zinc/63/87/20/563638720.db2.gz NWSLXPZEUQNHCT-UHFFFAOYSA-N 1 0 397.313 2.565 20 0 GFADRO CCOc1c(Br)cc(C[NH2+]CC(C)(C)OCCO)cc1OC ZINC000288344573 563638816 /nfs/dbraw/zinc/63/88/16/563638816.db2.gz BRBGCFNGTKFWLU-UHFFFAOYSA-N 1 0 376.291 2.734 20 0 GFADRO [NH3+][C@@H]1CCO[C@H](C2CCN(S(=O)(=O)c3ccc(Cl)c(Cl)c3)CC2)C1 ZINC000333715510 563639876 /nfs/dbraw/zinc/63/98/76/563639876.db2.gz SZEZEMRGQVLNNR-WBMJQRKESA-N 1 0 393.336 2.900 20 0 GFADRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)CSc2nncs2)c1 ZINC000288393213 563640918 /nfs/dbraw/zinc/64/09/18/563640918.db2.gz WEKOGEMFVORWMC-UHFFFAOYSA-N 1 0 379.511 2.549 20 0 GFADRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N1CCC(Oc2cccc(Br)c2)CC1 ZINC000333769386 563641938 /nfs/dbraw/zinc/64/19/38/563641938.db2.gz BUZWZEMRMMEJGW-CXAGYDPISA-N 1 0 396.329 3.000 20 0 GFADRO O=C(N[C@@H](c1cncc(Br)c1)C1CC1)N1CCC2(CC[NH2+]2)CC1 ZINC000333808460 563642523 /nfs/dbraw/zinc/64/25/23/563642523.db2.gz IVMOYRMERRDXAU-OAHLLOKOSA-N 1 0 379.302 2.833 20 0 GFADRO O=C(C[NH2+][C@H](CO)[C@@H]1CCCOC1)Nc1ccc(Cl)cc1C(F)(F)F ZINC000411991458 563643286 /nfs/dbraw/zinc/64/32/86/563643286.db2.gz JELUHNMWTDVNLJ-QMTHXVAHSA-N 1 0 380.794 2.674 20 0 GFADRO CC(C)(CN1CCOCC1)[NH2+]CCOc1cc(F)cc(Br)c1 ZINC000411999645 563643937 /nfs/dbraw/zinc/64/39/37/563643937.db2.gz RUFBGRDTHABRIP-UHFFFAOYSA-N 1 0 375.282 2.667 20 0 GFADRO O=C(C[NH2+][C@@H](CO)[C@H]1CCCOC1)Nc1cc(Cl)c(Cl)cc1Cl ZINC000411993209 563643941 /nfs/dbraw/zinc/64/39/41/563643941.db2.gz LGJULUBVYMDUNQ-XPTSAGLGSA-N 1 0 381.687 2.962 20 0 GFADRO O=C(c1n[nH]c2ccc(Br)cc21)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000333875441 563644397 /nfs/dbraw/zinc/64/43/97/563644397.db2.gz VGLFKVVYZUDALV-IAQYHMDHSA-N 1 0 377.286 2.930 20 0 GFADRO O=S(=O)(c1cc(F)ccc1Br)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000435207627 563644671 /nfs/dbraw/zinc/64/46/71/563644671.db2.gz MVWBFEIPINOMFT-CYBMUJFWSA-N 1 0 391.306 2.837 20 0 GFADRO C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@H](CCO)c1ccc(Cl)c(Cl)c1 ZINC000288471397 563645012 /nfs/dbraw/zinc/64/50/12/563645012.db2.gz QMHQOSQBEBVIAK-BLLLJJGKSA-N 1 0 375.296 2.501 20 0 GFADRO Brc1cccc(Cc2noc(CN(C3CC3)[C@H]3CC[NH2+]C3)n2)c1 ZINC000435229626 563646251 /nfs/dbraw/zinc/64/62/51/563646251.db2.gz JYABZQRVKSGZEK-HNNXBMFYSA-N 1 0 377.286 2.749 20 0 GFADRO CC(=O)Nc1cc(F)c(S(=O)(=O)N[C@@H]2CCC[N@@H+](C(C)C)C2)cc1Cl ZINC000435441495 563651545 /nfs/dbraw/zinc/65/15/45/563651545.db2.gz GFUHEBZMABUWSB-GFCCVEGCSA-N 1 0 391.896 2.589 20 0 GFADRO CS[C@@H]1CN(C(=O)c2nc(C)sc2Br)C[C@@H]1[NH+]1CCCC1 ZINC000412251627 563651531 /nfs/dbraw/zinc/65/15/31/563651531.db2.gz LLTMRYULLXGJEV-WDEREUQCSA-N 1 0 390.372 2.866 20 0 GFADRO COC(=O)CC[C@@H]([NH3+])C(=O)Nc1ccc(Sc2nnc(C)s2)cc1C ZINC000288755260 563655714 /nfs/dbraw/zinc/65/57/14/563655714.db2.gz NQCSFZXFLRKTGK-GFCCVEGCSA-N 1 0 380.495 2.525 20 0 GFADRO CN(Cc1nc(Cc2cccc(Br)c2)no1)[C@H]1CCC[NH2+]CC1 ZINC000435626902 563655871 /nfs/dbraw/zinc/65/58/71/563655871.db2.gz PXJLSLIKWSPCKO-HNNXBMFYSA-N 1 0 379.302 2.997 20 0 GFADRO C[N@H+](CCn1cc(Br)cn1)C[C@H]1CN(c2ccccc2)C(=O)O1 ZINC000288752305 563656000 /nfs/dbraw/zinc/65/60/00/563656000.db2.gz IDZMIRWSKILYKR-HNNXBMFYSA-N 1 0 379.258 2.603 20 0 GFADRO Cc1ccsc1CNC(=O)CN(Cc1scnc1C)C[C@H]1CC[NH2+]C1 ZINC000435735621 563657938 /nfs/dbraw/zinc/65/79/38/563657938.db2.gz OOKPTZHTLMPZIK-HNNXBMFYSA-N 1 0 378.567 2.549 20 0 GFADRO [NH3+][C@H]1CCc2nc(NC(=O)/C=C/c3c(Cl)nc4sccn34)sc2C1 ZINC000288830554 563658686 /nfs/dbraw/zinc/65/86/86/563658686.db2.gz UXLDNJZPRNXVQT-RTMURIBGSA-N 1 0 379.898 2.974 20 0 GFADRO O=C(CCCc1cc(Cl)sc1Cl)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000289115787 563668479 /nfs/dbraw/zinc/66/84/79/563668479.db2.gz DBSJXANTVBVIPG-CYBMUJFWSA-N 1 0 376.353 2.884 20 0 GFADRO O=C(NCC1(O)CC[NH+](Cc2ccccc2)CC1)c1occc1Br ZINC000412779880 563669069 /nfs/dbraw/zinc/66/90/69/563669069.db2.gz NRXBXCWJVKPALX-UHFFFAOYSA-N 1 0 393.281 2.799 20 0 GFADRO CC[C@@H]([NH2+]CC1([S@](C)=O)CCC1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000436300606 563669256 /nfs/dbraw/zinc/66/92/56/563669256.db2.gz KCRXOCIRFOCVBY-FATZIPQQSA-N 1 0 392.974 2.590 20 0 GFADRO COCCCN(C1CC[NH+](C)CC1)S(=O)(=O)c1c(Cl)ccnc1Cl ZINC000289570653 563679288 /nfs/dbraw/zinc/67/92/88/563679288.db2.gz OJOYABZISKLWLU-UHFFFAOYSA-N 1 0 396.340 2.510 20 0 GFADRO COCC[N@@H+]1CCCN(C(=O)c2nc3ccccc3cc2Br)CC1 ZINC000289612211 563680656 /nfs/dbraw/zinc/68/06/56/563680656.db2.gz VVNQMOWCKDMHMO-UHFFFAOYSA-N 1 0 392.297 2.792 20 0 GFADRO CC[NH+](CC)[C@@H](CNC(=O)N[C@@H]1CCCC(F)(F)[C@H]1O)c1ccsc1 ZINC000413106635 563682250 /nfs/dbraw/zinc/68/22/50/563682250.db2.gz MUVFFOANCUQMJC-ILXRZTDVSA-N 1 0 375.485 2.979 20 0 GFADRO C[NH+]1CCN(c2ccc(Br)cc2NC(=O)c2cccnc2F)CC1 ZINC000289665242 563682559 /nfs/dbraw/zinc/68/25/59/563682559.db2.gz ORUPZMLZXYOLOO-UHFFFAOYSA-N 1 0 393.260 2.987 20 0 GFADRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)c2cc(Br)ccc2O)C1 ZINC000436858746 563682733 /nfs/dbraw/zinc/68/27/33/563682733.db2.gz VKVMZJPMAZHTPF-AWEZNQCLSA-N 1 0 385.302 2.728 20 0 GFADRO C[C@@H]1[C@H](N2CCOCC2)CC[N@@H+]1Cc1nc2cc(Br)ccc2o1 ZINC000289666898 563682996 /nfs/dbraw/zinc/68/29/96/563682996.db2.gz FPFSZANNCYSLFX-IUODEOHRSA-N 1 0 380.286 2.885 20 0 GFADRO O=C(CC[NH2+]Cc1cn2ccc(Br)cc2n1)N1CCCCCC1 ZINC000289721407 563684024 /nfs/dbraw/zinc/68/40/24/563684024.db2.gz DAEYBKJWKHXKTI-UHFFFAOYSA-N 1 0 379.302 2.979 20 0 GFADRO Cc1sc(-c2nc(CC34CCC[NH+]3CCC4)no2)cc1CS(C)(=O)=O ZINC000351242543 563684183 /nfs/dbraw/zinc/68/41/83/563684183.db2.gz KHSSFWGFWSOCEW-UHFFFAOYSA-N 1 0 381.523 2.822 20 0 GFADRO Cc1nnc(CC[NH2+][C@H](C)c2cc(S(N)(=O)=O)c(Cl)cc2Cl)s1 ZINC000289710293 563684362 /nfs/dbraw/zinc/68/43/62/563684362.db2.gz JAQGTQLLURJEQN-SSDOTTSWSA-N 1 0 395.337 2.694 20 0 GFADRO CC[NH+](CC)C[C@@H](C)NC(=O)NCc1cc(Cl)cc(S(=O)(=O)CC)c1 ZINC000413179590 563684391 /nfs/dbraw/zinc/68/43/91/563684391.db2.gz OETRSYNBWWZMJC-CYBMUJFWSA-N 1 0 389.949 2.663 20 0 GFADRO CC[N@@H+]1C[C@H](C)N(C(=O)c2cc(I)ccc2O)C[C@H]1C ZINC000436992972 563687719 /nfs/dbraw/zinc/68/77/19/563687719.db2.gz ZLBKLHUWARHNAG-MNOVXSKESA-N 1 0 388.249 2.552 20 0 GFADRO CC(C)S(=O)(=O)CC[NH2+][C@@H](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000289849443 563688848 /nfs/dbraw/zinc/68/88/48/563688848.db2.gz BDMDXOLASMZKBX-LBPRGKRZSA-N 1 0 380.432 2.835 20 0 GFADRO CN1CC[NH+](C[C@@H]2CCCN(C(=O)c3ccc(Br)c(F)c3)C2)CC1 ZINC000360246662 563692084 /nfs/dbraw/zinc/69/20/84/563692084.db2.gz PURXEEOTYVENGV-AWEZNQCLSA-N 1 0 398.320 2.688 20 0 GFADRO Cc1cc(Br)ccc1C(=O)N1CCC[C@H](C[NH+]2CCN(C)CC2)C1 ZINC000360246124 563692151 /nfs/dbraw/zinc/69/21/51/563692151.db2.gz JLHNIMNDXJBWMY-MRXNPFEDSA-N 1 0 394.357 2.857 20 0 GFADRO COc1cc(Br)c(CNC(=O)[C@H]2CC[NH2+][C@@H]2C(C)C)cc1OC ZINC000289963837 563692870 /nfs/dbraw/zinc/69/28/70/563692870.db2.gz MYLXLJTUBRRMOQ-BLLLJJGKSA-N 1 0 385.302 2.717 20 0 GFADRO C[C@@]1(C[C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2Br)NC(=O)NC1=O ZINC000289963237 563692873 /nfs/dbraw/zinc/69/28/73/563692873.db2.gz ZECLDBSZZNJJLX-LRDDRELGSA-N 1 0 384.249 2.541 20 0 GFADRO C[C@H](Cc1ccc(F)cc1Br)[NH2+]CC1(OCCO)CCOCC1 ZINC000290187077 563700836 /nfs/dbraw/zinc/70/08/36/563700836.db2.gz SLKZATQKFPUDAK-CYBMUJFWSA-N 1 0 390.293 2.667 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2C(=O)Cc1ccc(Br)c(F)c1 ZINC000361783766 563701136 /nfs/dbraw/zinc/70/11/36/563701136.db2.gz NVCOURXZQPZTMF-KBRIMQKVSA-N 1 0 399.304 2.841 20 0 GFADRO O=C(CCc1cc(Br)cs1)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000361701475 563701194 /nfs/dbraw/zinc/70/11/94/563701194.db2.gz PYTNYNDLNGERDQ-GJZGRUSLSA-N 1 0 387.343 2.501 20 0 GFADRO C[C@@H]([NH2+]Cc1cc(Br)cc(Br)c1)C(=O)NCCF ZINC000290214926 563701373 /nfs/dbraw/zinc/70/13/73/563701373.db2.gz WJAAHVGWIGWMDJ-MRVPVSSYSA-N 1 0 382.071 2.775 20 0 GFADRO O=C(Cc1ccc(Br)c(F)c1)NC[C@H]1CCC[C@@H]1[NH+]1CCOCC1 ZINC000361795201 563701572 /nfs/dbraw/zinc/70/15/72/563701572.db2.gz BBTMBIQWPQKCDX-PBHICJAKSA-N 1 0 399.304 2.748 20 0 GFADRO C[C@@H]1CN(C(=O)[C@H]2SCCc3sccc32)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000362066647 563703538 /nfs/dbraw/zinc/70/35/38/563703538.db2.gz NOKPLFGFQMVHTP-HFTRVMKXSA-N 1 0 379.595 2.563 20 0 GFADRO CC(C)[N@H+](C)C[C@@H](C)NC(=O)C(=O)Nc1ccc(Cl)c(OC(F)F)c1 ZINC000290307098 563704839 /nfs/dbraw/zinc/70/48/39/563704839.db2.gz JGFLDFKRYRXOEG-SNVBAGLBSA-N 1 0 377.819 2.725 20 0 GFADRO C[N@@H+]1CC[C@H]2CCN(C(=O)c3ccc(F)cc3I)C[C@@H]21 ZINC000362283862 563705082 /nfs/dbraw/zinc/70/50/82/563705082.db2.gz MCAFWWQWPPZZBV-HZMBPMFUSA-N 1 0 388.224 2.597 20 0 GFADRO C[N@@H+]1CC[C@H]2CCN(C(=O)c3ccc(F)cc3I)C[C@H]21 ZINC000362283869 563705391 /nfs/dbraw/zinc/70/53/91/563705391.db2.gz MCAFWWQWPPZZBV-IINYFYTJSA-N 1 0 388.224 2.597 20 0 GFADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc(F)cc3I)C[C@H]21 ZINC000362283870 563705618 /nfs/dbraw/zinc/70/56/18/563705618.db2.gz MCAFWWQWPPZZBV-QMTHXVAHSA-N 1 0 388.224 2.597 20 0 GFADRO O=C(N[C@@H](CO)C[NH+]1CCCCC1)c1c[nH]c2cccc(Br)c12 ZINC000413814241 563706644 /nfs/dbraw/zinc/70/66/44/563706644.db2.gz INEWBBDFXDUHED-GFCCVEGCSA-N 1 0 380.286 2.507 20 0 GFADRO Cc1cc(Br)cc(Cl)c1C(=O)N[C@H](CO)C[NH+]1CCCCC1 ZINC000413820028 563706681 /nfs/dbraw/zinc/70/66/81/563706681.db2.gz QCMKNJKBWBWAHF-ZDUSSCGKSA-N 1 0 389.721 2.988 20 0 GFADRO CCOCC(C)(C)C[NH2+][C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000290423276 563709087 /nfs/dbraw/zinc/70/90/87/563709087.db2.gz UUIFWNKQWNETKT-NSHDSACASA-N 1 0 393.347 2.810 20 0 GFADRO C[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)Nc1c(F)cccc1Br ZINC000438799708 563711218 /nfs/dbraw/zinc/71/12/18/563711218.db2.gz YTAMXCMCLNNMLX-NSHDSACASA-N 1 0 386.265 2.517 20 0 GFADRO CS(=O)(=O)Nc1ccc(-c2csc([C@H]3C[N@@H+]4CCC[C@@H]4CO3)n2)cc1 ZINC000363099738 563714067 /nfs/dbraw/zinc/71/40/67/563714067.db2.gz XQFFGBOIJSSARL-GDBMZVCRSA-N 1 0 379.507 2.717 20 0 GFADRO C[N@H+](CCc1ccc(Br)cc1)[C@H]1CCN(C2CCOCC2)C1=O ZINC000363139565 563715981 /nfs/dbraw/zinc/71/59/81/563715981.db2.gz SNXKQVVCPGNFLZ-KRWDZBQOSA-N 1 0 381.314 2.703 20 0 GFADRO CC[NH+](CC)CC[C@@H](CO)NC(=O)Nc1ccc(F)cc1Br ZINC000439027100 563716124 /nfs/dbraw/zinc/71/61/24/563716124.db2.gz HTEKHWGQXCMSEP-LBPRGKRZSA-N 1 0 376.270 2.803 20 0 GFADRO Brc1ccc(-c2ccc(NCCCC[NH+]3CCOCC3)nn2)s1 ZINC000439098565 563716910 /nfs/dbraw/zinc/71/69/10/563716910.db2.gz JUGYITVRLVQQHE-UHFFFAOYSA-N 1 0 397.342 3.492 20 0 GFADRO C[C@H]1C[N@H+](C)C[C@H]1C(=O)NC1CCN(Cc2cccc(Br)c2)CC1 ZINC000414057313 563717200 /nfs/dbraw/zinc/71/72/00/563717200.db2.gz RJANVBRRBFGBPP-KBXCAEBGSA-N 1 0 394.357 2.727 20 0 GFADRO O=C(NCC[NH2+][C@H](c1ccc(Br)s1)C1CC1)c1cnccn1 ZINC000439132801 563717723 /nfs/dbraw/zinc/71/77/23/563717723.db2.gz KSKIVHZEZFRFHA-AWEZNQCLSA-N 1 0 381.299 2.771 20 0 GFADRO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]Cc1ccc(OCC2CC2)nc1 ZINC000414081630 563718108 /nfs/dbraw/zinc/71/81/08/563718108.db2.gz UMIIUKBJCNUJKN-ZDUSSCGKSA-N 1 0 392.297 2.973 20 0 GFADRO C[C@@H](Cn1cc(Br)ccc1=O)N[C@@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000414069987 563718297 /nfs/dbraw/zinc/71/82/97/563718297.db2.gz KTTVRILAIOVQPD-FZKCQIBNSA-N 1 0 384.362 2.955 20 0 GFADRO Cc1nn(C)c(C)c1CCC[NH2+][C@H](C)Cn1cc(Br)ccc1=O ZINC000414096326 563718676 /nfs/dbraw/zinc/71/86/76/563718676.db2.gz IMPBRCICAVETKL-GFCCVEGCSA-N 1 0 381.318 2.572 20 0 GFADRO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]CCN(C)Cc1ccc(F)cc1 ZINC000414087165 563718867 /nfs/dbraw/zinc/71/88/67/563718867.db2.gz BCWCDNUNLNLGHD-AWEZNQCLSA-N 1 0 396.304 2.860 20 0 GFADRO C[C@H]([NH2+]C[C@@H](O)COc1ccccc1Br)c1cc2n(n1)CCC2 ZINC000414087137 563718924 /nfs/dbraw/zinc/71/89/24/563718924.db2.gz ICXPTXUUSMRJTF-GXTWGEPZSA-N 1 0 380.286 2.682 20 0 GFADRO COC[C@H](Cc1ccccc1)[NH2+][C@H](C)Cn1cc(Br)ccc1=O ZINC000414121429 563720379 /nfs/dbraw/zinc/72/03/79/563720379.db2.gz ZNJKSSYAPHWFDO-PBHICJAKSA-N 1 0 379.298 2.847 20 0 GFADRO COC(=O)c1cc(NC(=O)N2CCn3cncc3C2)c(C)cc1Br ZINC000290780386 563721169 /nfs/dbraw/zinc/72/11/69/563721169.db2.gz TTXWGKHZUXNVHE-UHFFFAOYSA-N 1 0 393.241 2.788 20 0 GFADRO C[C@H](NC(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccc(Br)cc1 ZINC000363390745 563721434 /nfs/dbraw/zinc/72/14/34/563721434.db2.gz VXDFGAMXRXXDSO-MAZHCROVSA-N 1 0 382.302 2.673 20 0 GFADRO CC[C@@]1(CO)CCC[N@@H+]1C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000439291505 563721960 /nfs/dbraw/zinc/72/19/60/563721960.db2.gz DGDDAKFYNUOMKY-HOCLYGCPSA-N 1 0 376.266 2.565 20 0 GFADRO CCCC[N@H+](C)C[C@H](C)NC(=O)C[C@@](O)(c1nc(C)cs1)C(F)(F)F ZINC000290802531 563721986 /nfs/dbraw/zinc/72/19/86/563721986.db2.gz DTIHAIJHLIBSDZ-XHDPSFHLSA-N 1 0 381.464 2.828 20 0 GFADRO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+][C@H]2CCCC[C@@H]2S(C)(=O)=O)c1 ZINC000414205771 563722500 /nfs/dbraw/zinc/72/25/00/563722500.db2.gz DEHHRNSMECRUDB-HOTGVXAUSA-N 1 0 393.958 2.579 20 0 GFADRO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+][C@@H](C)C2(OC)CCOCC2)c1 ZINC000414206985 563722657 /nfs/dbraw/zinc/72/26/57/563722657.db2.gz GLZORIGBFGBUHB-ZDUSSCGKSA-N 1 0 375.918 2.807 20 0 GFADRO C[C@H]1CC[N@H+](C)CCN1C(=O)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000439354976 563722766 /nfs/dbraw/zinc/72/27/66/563722766.db2.gz IQJZQHDKINDZNG-JTQLQIEISA-N 1 0 377.794 2.850 20 0 GFADRO C[C@H]([NH2+]C[C@@H](CO)Cc1cc(F)cc(Br)c1)C(C)(C)n1cncn1 ZINC000414204112 563722771 /nfs/dbraw/zinc/72/27/71/563722771.db2.gz ZYTQRNUEGLHSAX-JSGCOSHPSA-N 1 0 399.308 2.744 20 0 GFADRO CN(C)[C@@H](C[NH2+]Cc1ccc(S(N)(=O)=O)c(Cl)c1)c1cccc(F)c1 ZINC000414241795 563723405 /nfs/dbraw/zinc/72/34/05/563723405.db2.gz MBFFVQSNWQDWKV-INIZCTEOSA-N 1 0 385.892 2.519 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)NCc2nc3cc(Br)cnc3[nH]2)C1 ZINC000290838468 563723574 /nfs/dbraw/zinc/72/35/74/563723574.db2.gz NLSROKRLLWAMKJ-MRXNPFEDSA-N 1 0 398.280 2.549 20 0 GFADRO CC(C)[NH2+]C1CCN(C[C@H](O)COc2cc(F)cc(Br)c2)CC1 ZINC000439430043 563724010 /nfs/dbraw/zinc/72/40/10/563724010.db2.gz KIUHHJKAZLDFDH-INIZCTEOSA-N 1 0 389.309 2.790 20 0 GFADRO O[C@H](COc1cc(F)cc(Br)c1)C[N@@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000439431075 563724016 /nfs/dbraw/zinc/72/40/16/563724016.db2.gz LHQRBRGGXIIJAE-DOMZBBRYSA-N 1 0 398.276 2.931 20 0 GFADRO C[C@@H]([NH2+]C[C@H](O)COc1cc(F)cc(Br)c1)C1CCOCC1 ZINC000439433022 563724510 /nfs/dbraw/zinc/72/45/10/563724510.db2.gz XVOADHQGRCGVKF-ABAIWWIYSA-N 1 0 376.266 2.733 20 0 GFADRO C[C@H](c1cnn(C)c1)[N@H+](C)C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000439448359 563725586 /nfs/dbraw/zinc/72/55/86/563725586.db2.gz GSACDSMCWSBWQT-ABAIWWIYSA-N 1 0 386.265 2.754 20 0 GFADRO COCc1cccc(C[NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)c1 ZINC000414298176 563725595 /nfs/dbraw/zinc/72/55/95/563725595.db2.gz ZBUBRPZTGBGFSR-UHFFFAOYSA-N 1 0 399.310 2.533 20 0 GFADRO Cc1ncc(C[N@@H+]2CC[C@@H](NC(=O)c3cc(N)nc(Cl)c3)[C@H](C)C2)s1 ZINC000363552044 563725947 /nfs/dbraw/zinc/72/59/47/563725947.db2.gz WLLMAWVFNKNWPN-QMTHXVAHSA-N 1 0 379.917 2.723 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+][C@@H]2CCc3c2cccc3O)cc1Br ZINC000414321334 563726374 /nfs/dbraw/zinc/72/63/74/563726374.db2.gz CLIXKNMFMPRVBN-CQSZACIVSA-N 1 0 397.294 2.579 20 0 GFADRO O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(I)c(F)c1 ZINC000363568941 563726852 /nfs/dbraw/zinc/72/68/52/563726852.db2.gz HQXYDLZZUWRDRI-NWDGAFQWSA-N 1 0 388.224 2.787 20 0 GFADRO CC(C)NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(F)c(I)c1 ZINC000414350753 563728165 /nfs/dbraw/zinc/72/81/65/563728165.db2.gz UVBDFBUHFAHKJM-NXEZZACHSA-N 1 0 378.229 2.994 20 0 GFADRO CCS(=O)(=O)CCC[NH2+][C@@H](C)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000414348730 563728435 /nfs/dbraw/zinc/72/84/35/563728435.db2.gz XNFRWPABULLTDB-HNNXBMFYSA-N 1 0 387.567 2.878 20 0 GFADRO COc1ccc(Br)cc1C[C@H](CO)CNC(=[NH2+])N1CCC(C)CC1 ZINC000414359273 563728927 /nfs/dbraw/zinc/72/89/27/563728927.db2.gz JMCDZZCXNVEWIT-AWEZNQCLSA-N 1 0 398.345 2.865 20 0 GFADRO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(CCCc2ccccc2Br)CC1 ZINC000363651084 563728988 /nfs/dbraw/zinc/72/89/88/563728988.db2.gz KBIAZFRSTKXUJC-SFHVURJKSA-N 1 0 394.357 2.796 20 0 GFADRO CC(C)c1n[nH]c(C(=O)N2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@@H]3C2)c1Br ZINC000363658823 563729279 /nfs/dbraw/zinc/72/92/79/563729279.db2.gz CCQBZCIBAPDKST-YNEHKIRRSA-N 1 0 381.318 2.852 20 0 GFADRO Cc1ccc(CC(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)cc1Br ZINC000363685384 563730032 /nfs/dbraw/zinc/73/00/32/563730032.db2.gz GTQRVENPXSHRHD-INIZCTEOSA-N 1 0 394.357 2.585 20 0 GFADRO O=C(Cc1cc(Br)ccc1F)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000363707327 563731081 /nfs/dbraw/zinc/73/10/81/563731081.db2.gz GKBLXZOVJAEJOE-OAHLLOKOSA-N 1 0 385.277 2.500 20 0 GFADRO CS(=O)(=O)N1CCC[C@H](C[NH2+]C2(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000439826904 563731969 /nfs/dbraw/zinc/73/19/69/563731969.db2.gz YVERBWNHHNHBPR-CYBMUJFWSA-N 1 0 376.444 2.956 20 0 GFADRO Cc1ccc(Br)cc1CNC(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000439805609 563732207 /nfs/dbraw/zinc/73/22/07/563732207.db2.gz CFCTZAGCLAZWPY-QGZVFWFLSA-N 1 0 398.345 2.650 20 0 GFADRO C[C@H](O)C[C@H](C[NH2+]Cc1ccc(S(N)(=O)=O)c(Cl)c1)c1ccccc1 ZINC000414385007 563732398 /nfs/dbraw/zinc/73/23/98/563732398.db2.gz WDSWBGHQGVBKDP-XJKSGUPXSA-N 1 0 382.913 2.632 20 0 GFADRO COC(=O)C[C@@H](NC(=O)[C@H]1C[NH+]2CCC1CC2)c1ccc(Br)cc1 ZINC000363836705 563734819 /nfs/dbraw/zinc/73/48/19/563734819.db2.gz VMLXJATZVBSERQ-JKSUJKDBSA-N 1 0 395.297 2.511 20 0 GFADRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NS(=O)(=O)c1ccc(Br)cc1 ZINC000440083728 563736514 /nfs/dbraw/zinc/73/65/14/563736514.db2.gz UVTNSXLTJDYRFN-STQMWFEESA-N 1 0 375.332 2.848 20 0 GFADRO C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000363941251 563737914 /nfs/dbraw/zinc/73/79/14/563737914.db2.gz RAXUDTPOYZXZLL-AVGNSLFASA-N 1 0 384.307 2.855 20 0 GFADRO COC(=O)c1cc(Br)cc(C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)c1 ZINC000291303407 563738246 /nfs/dbraw/zinc/73/82/46/563738246.db2.gz IJRMKTRNYHQQMH-BLLLJJGKSA-N 1 0 395.297 2.792 20 0 GFADRO CCCN([C@@H]1CC[NH2+]C1)S(=O)(=O)c1cc(Br)sc1Cl ZINC000440346555 563739416 /nfs/dbraw/zinc/73/94/16/563739416.db2.gz UBMRSVQMDOYQOQ-MRVPVSSYSA-N 1 0 387.752 2.927 20 0 GFADRO C[N@@H+]1C[C@H](NS(=O)(=O)Cc2ccc(F)c(Cl)c2)[C@@H](c2ccccc2)C1 ZINC000414454922 563740147 /nfs/dbraw/zinc/74/01/47/563740147.db2.gz BLXOJBULVIEHBZ-QAPCUYQASA-N 1 0 382.888 2.996 20 0 GFADRO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CCC[C@@H]1[NH+](C)C ZINC000414464404 563741889 /nfs/dbraw/zinc/74/18/89/563741889.db2.gz MXIMFWXDNNMAEF-QEJZJMRPSA-N 1 0 390.933 2.515 20 0 GFADRO Cn1ccc(S(=O)(=O)N(CCC[NH+]2CCCC2)c2ccc(Cl)cc2)n1 ZINC000414467070 563741996 /nfs/dbraw/zinc/74/19/96/563741996.db2.gz VXDLXVZWZOGSOU-UHFFFAOYSA-N 1 0 382.917 2.755 20 0 GFADRO O=S(=O)(c1csc(-c2ccc(Cl)cc2)n1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000440449011 563742247 /nfs/dbraw/zinc/74/22/47/563742247.db2.gz WGDYGZQJAFLUNI-CQSZACIVSA-N 1 0 383.926 2.979 20 0 GFADRO Cc1c(S(=O)(=O)N2CCC[C@H](C)[C@H]2C[NH3+])cnn1-c1ccc(Cl)cc1 ZINC000440441745 563742334 /nfs/dbraw/zinc/74/23/34/563742334.db2.gz OMIPLFUIKJMNON-BLLLJJGKSA-N 1 0 382.917 2.582 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S(=O)(=O)CC[NH2+][C@H]1CCCC[C@H]1C ZINC000440512881 563743911 /nfs/dbraw/zinc/74/39/11/563743911.db2.gz LJBUSHMPIAIMFO-CVEARBPZSA-N 1 0 387.567 2.812 20 0 GFADRO CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)[C@@H]1CC1(Cl)Cl ZINC000364171152 563745258 /nfs/dbraw/zinc/74/52/58/563745258.db2.gz BFYHARWKJUCFON-INIZCTEOSA-N 1 0 376.372 2.835 20 0 GFADRO COCCOCC[NH+]1CCC(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000364190727 563745267 /nfs/dbraw/zinc/74/52/67/563745267.db2.gz NGEZDNUYOBUFPQ-UHFFFAOYSA-N 1 0 385.302 2.763 20 0 GFADRO COCCCN(C(=O)c1nc(Br)ccc1C)C1CC[NH+](C)CC1 ZINC000291492741 563745389 /nfs/dbraw/zinc/74/53/89/563745389.db2.gz TXLHYECLUGRCGZ-UHFFFAOYSA-N 1 0 384.318 2.725 20 0 GFADRO O=C(N[C@@H]1CCC[NH2+]CC1)[C@@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1 ZINC000364166003 563745514 /nfs/dbraw/zinc/74/55/14/563745514.db2.gz DHODEDOWJIHARA-CJNGLKHVSA-N 1 0 384.307 2.856 20 0 GFADRO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@H](CO)[C@H]1CCCOC1 ZINC000414569758 563746542 /nfs/dbraw/zinc/74/65/42/563746542.db2.gz ZTHBWYYLQPSBQR-DVOMOZLQSA-N 1 0 385.302 2.543 20 0 GFADRO OC[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(Br)cc2N2CCOCC2)C1 ZINC000414579926 563747629 /nfs/dbraw/zinc/74/76/29/563747629.db2.gz QGYFPBACDVXXGK-RHSMWYFYSA-N 1 0 383.330 2.926 20 0 GFADRO Cc1ccc(C(=O)N2CC[C@]3(CCC[C@H]3[NH3+])C2)cc1I ZINC000364268316 563748328 /nfs/dbraw/zinc/74/83/28/563748328.db2.gz QCIVCKJYPGTOSR-GDBMZVCRSA-N 1 0 384.261 2.943 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CCCN(S(=O)(=O)c2cc(Cl)ccc2Br)C1 ZINC000440738333 563748710 /nfs/dbraw/zinc/74/87/10/563748710.db2.gz USBJYHNZFQFOOQ-NXEZZACHSA-N 1 0 381.723 2.850 20 0 GFADRO Cc1cc(F)c(Br)cc1S(=O)(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000440736189 563748739 /nfs/dbraw/zinc/74/87/39/563748739.db2.gz PKCHZMYJHNGHIK-QWRGUYRKSA-N 1 0 379.295 2.563 20 0 GFADRO COc1cc(C[NH2+]C2(CO)Cc3ccccc3C2)cc(Br)c1O ZINC000364317069 563748914 /nfs/dbraw/zinc/74/89/14/563748914.db2.gz KWAAHUCTKXQWCI-UHFFFAOYSA-N 1 0 378.266 2.783 20 0 GFADRO Cc1cc(I)ccc1NC(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000414675155 563749476 /nfs/dbraw/zinc/74/94/76/563749476.db2.gz FJUZRRSKBBQKSH-NEPJUHHUSA-N 1 0 385.249 2.673 20 0 GFADRO C[C@H]([NH3+])C1CCN(S(=O)(=O)c2cc(Cl)ccc2Br)CC1 ZINC000440745684 563749504 /nfs/dbraw/zinc/74/95/04/563749504.db2.gz GZZYHBDUSKCXAL-VIFPVBQESA-N 1 0 381.723 2.850 20 0 GFADRO O=S(=O)(c1ccc(Cl)cc1Br)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000440763952 563749563 /nfs/dbraw/zinc/74/95/63/563749563.db2.gz TYGNMAZJMJKKJV-LLVKDONJSA-N 1 0 379.707 2.618 20 0 GFADRO Cc1cc(S(=O)(=O)N2CCC[C@@H](CC[NH3+])C2)c(C)cc1Br ZINC000440799700 563750575 /nfs/dbraw/zinc/75/05/75/563750575.db2.gz CNJKPOUOZYUGNL-ZDUSSCGKSA-N 1 0 375.332 2.815 20 0 GFADRO CC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)CCc2ccccc2Br)C1 ZINC000291625909 563750896 /nfs/dbraw/zinc/75/08/96/563750896.db2.gz FXMVSZXNXVZHDI-AWEZNQCLSA-N 1 0 389.359 2.595 20 0 GFADRO O=C(NCCC[C@@H]1CCC[NH2+]1)Nc1nnc(SCc2ccccc2)s1 ZINC000414716493 563750891 /nfs/dbraw/zinc/75/08/91/563750891.db2.gz YCMDXFVGAGJHIE-AWEZNQCLSA-N 1 0 377.539 3.484 20 0 GFADRO CCOc1ccc(S(=O)(=O)N2CCC[C@H](CC[NH3+])C2)cc1Br ZINC000440806798 563751195 /nfs/dbraw/zinc/75/11/95/563751195.db2.gz SIMJWWPWYBGSOJ-GFCCVEGCSA-N 1 0 391.331 2.597 20 0 GFADRO C[C@H](CO)[N@@H+]1CCCN(C(=O)Nc2cc(Br)c(F)cc2F)CC1 ZINC000364379901 563751435 /nfs/dbraw/zinc/75/14/35/563751435.db2.gz GQOPMFPFHQYDQK-SNVBAGLBSA-N 1 0 392.244 2.648 20 0 GFADRO C[C@@]1(CNS(=O)(=O)c2cc(Cl)ccc2Br)CCC[NH2+]C1 ZINC000440836505 563751830 /nfs/dbraw/zinc/75/18/30/563751830.db2.gz GUKQWCRYIXDRTD-CYBMUJFWSA-N 1 0 381.723 2.771 20 0 GFADRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)Nc1ccc(I)cc1Cl ZINC000414788235 563752638 /nfs/dbraw/zinc/75/26/38/563752638.db2.gz DBCPYXNWXQUUAI-XVKPBYJWSA-N 1 0 379.629 2.898 20 0 GFADRO [NH3+]C[C@H](NC(=O)Nc1ccc(I)cc1Cl)C1CC1 ZINC000414787843 563753004 /nfs/dbraw/zinc/75/30/04/563753004.db2.gz CTSMZVMQMWASPE-NSHDSACASA-N 1 0 379.629 2.803 20 0 GFADRO [NH3+][C@@H]1CCCN(C(=O)Nc2ccc(I)cc2Cl)C1 ZINC000414801153 563753378 /nfs/dbraw/zinc/75/33/78/563753378.db2.gz TWWVYKOGWMMYBU-SECBINFHSA-N 1 0 379.629 2.900 20 0 GFADRO COc1cc(CN[C@@H](C[NH3+])CC(C)C)cc(I)c1OC ZINC000414838995 563753439 /nfs/dbraw/zinc/75/34/39/563753439.db2.gz LFZBFNSHQJIYPM-GFCCVEGCSA-N 1 0 392.281 2.771 20 0 GFADRO CCC[NH2+]CCNC1CCN(C(=O)c2ccc(Br)cc2C)CC1 ZINC000414872090 563753474 /nfs/dbraw/zinc/75/34/74/563753474.db2.gz PDTVBIAHMBWOKM-UHFFFAOYSA-N 1 0 382.346 2.951 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c(Br)c1 ZINC000440943008 563754093 /nfs/dbraw/zinc/75/40/93/563754093.db2.gz HEAVCSSTZFJWGZ-KBPBESRZSA-N 1 0 396.329 2.946 20 0 GFADRO CC[N@H+](Cc1ccc(I)c(Cl)c1)[C@H]1CCNC1=O ZINC000440952772 563754179 /nfs/dbraw/zinc/75/41/79/563754179.db2.gz DNOKKVFTWBXKOQ-LBPRGKRZSA-N 1 0 378.641 2.655 20 0 GFADRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3nc(C4CC4)ncc3Br)CC[C@H]21 ZINC000291732321 563756296 /nfs/dbraw/zinc/75/62/96/563756296.db2.gz JUAQUOQRRVHKJZ-GXTWGEPZSA-N 1 0 379.302 2.673 20 0 GFADRO C[C@@H]1[C@H](NC(=O)c2cnn(C)c2Br)CC[N@@H+]1Cc1ccccc1 ZINC000291735874 563756523 /nfs/dbraw/zinc/75/65/23/563756523.db2.gz IRQAGMSECUTOHC-IUODEOHRSA-N 1 0 377.286 2.575 20 0 GFADRO CSc1ccc(Cl)cc1NC(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000415025587 563757095 /nfs/dbraw/zinc/75/70/95/563757095.db2.gz QLNWUOOODBSWJQ-CYBMUJFWSA-N 1 0 384.933 2.913 20 0 GFADRO COc1cc(Br)c(NC(=O)N[C@H]2C[NH2+]CCC2(F)F)cc1OC ZINC000415003121 563757316 /nfs/dbraw/zinc/75/73/16/563757316.db2.gz WQISJRHHQQITGV-LBPRGKRZSA-N 1 0 394.216 2.585 20 0 GFADRO C[NH+](C)CCN(Cc1ccco1)C(=O)c1nc(C2CC2)ncc1Br ZINC000291752717 563757389 /nfs/dbraw/zinc/75/73/89/563757389.db2.gz LSZUOXOCYNIXHB-UHFFFAOYSA-N 1 0 393.285 2.914 20 0 GFADRO C[C@H](CO)[N@@H+]1CCCN(C(=O)Nc2cc(F)c(Br)c(F)c2)CC1 ZINC000364560694 563757498 /nfs/dbraw/zinc/75/74/98/563757498.db2.gz DCYPPLPTMKRXDU-SNVBAGLBSA-N 1 0 392.244 2.648 20 0 GFADRO C[C@@H]1CCNC(=O)[C@@H]1[NH2+]Cc1ccc(OC(F)(F)F)c(Br)c1 ZINC000441333370 563758308 /nfs/dbraw/zinc/75/83/08/563758308.db2.gz SHAICYHONVILLB-PRHODGIISA-N 1 0 381.192 2.962 20 0 GFADRO C[C@@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH2+]C[C@@H]1CNCCO1 ZINC000415091887 563758579 /nfs/dbraw/zinc/75/85/79/563758579.db2.gz DIJCSMNCEWZAFT-JQWIXIFHSA-N 1 0 379.810 2.654 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)CCC[NH2+][C@@H]1C(=O)NCC[C@@H]1C ZINC000441372131 563759065 /nfs/dbraw/zinc/75/90/65/563759065.db2.gz BJPDAIRJTPQDID-GTNSWQLSSA-N 1 0 396.329 2.899 20 0 GFADRO COc1ccc(NC(=O)N2C[C@H](C[NH3+])C3(C2)CCOCC3)c(Br)c1 ZINC000415108266 563759430 /nfs/dbraw/zinc/75/94/30/563759430.db2.gz MBACXKWEWPMDPS-LBPRGKRZSA-N 1 0 398.301 2.677 20 0 GFADRO C[C@H](C[NH3+])NC(=O)Nc1ccc(Br)c(I)c1 ZINC000415121146 563759529 /nfs/dbraw/zinc/75/95/29/563759529.db2.gz HLQWAKDEBVBDMU-ZCFIWIBFSA-N 1 0 398.042 2.522 20 0 GFADRO C[C@@]1(C[NH3+])CCN(C(=O)Nc2cc(F)c(I)c(F)c2)C1 ZINC000415129932 563760544 /nfs/dbraw/zinc/76/05/44/563760544.db2.gz ZYKPNZDAPIJNNX-ZDUSSCGKSA-N 1 0 395.191 2.772 20 0 GFADRO Cc1cc(Br)cn2c(C[N@H+]3CC[C@@]4(C3)CCCN(C)C4=O)cnc12 ZINC000364664831 563760895 /nfs/dbraw/zinc/76/08/95/563760895.db2.gz WBWVNNUGGUYPBQ-GOSISDBHSA-N 1 0 391.313 2.850 20 0 GFADRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)Nc1cc(Br)ccc1-n1cccn1 ZINC000415160415 563761034 /nfs/dbraw/zinc/76/10/34/563761034.db2.gz LGOPVIXGXGXDAR-NWDGAFQWSA-N 1 0 378.274 2.849 20 0 GFADRO [NH3+]C[C@@H]1CCCCN1C(=O)Nc1cc(Br)ccc1-n1cccn1 ZINC000415159640 563761194 /nfs/dbraw/zinc/76/11/94/563761194.db2.gz KBUTUUAEUGCIDE-ZDUSSCGKSA-N 1 0 378.274 2.980 20 0 GFADRO COC(=O)c1cc(C(C)(C)C)sc1NC(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000415173758 563761655 /nfs/dbraw/zinc/76/16/55/563761655.db2.gz RXJJALNKXACODC-JTQLQIEISA-N 1 0 375.441 2.951 20 0 GFADRO C[NH+](C)CC(=O)N1CCC[C@H]1c1nc(-c2cccc(Br)c2)no1 ZINC000364728621 563762320 /nfs/dbraw/zinc/76/23/20/563762320.db2.gz KSNFKOOHTGRPIE-ZDUSSCGKSA-N 1 0 379.258 2.724 20 0 GFADRO [NH3+]C[C@H]1CCN(C(=O)Nc2ccc(CCn3cc(Br)cn3)cc2)C1 ZINC000415210834 563762593 /nfs/dbraw/zinc/76/25/93/563762593.db2.gz KUWOFOFNFWYEDT-CQSZACIVSA-N 1 0 392.301 2.701 20 0 GFADRO C[C@H](C[NH3+])CNC(=O)c1nn(-c2ccc(Br)cc2)c2c1CCCC2 ZINC000441604692 563762861 /nfs/dbraw/zinc/76/28/61/563762861.db2.gz OTOKYTDLIGLNCU-GFCCVEGCSA-N 1 0 391.313 2.838 20 0 GFADRO CC[NH+](CC)C[C@H]1CCN(C(=O)c2nc(C3CC3)ncc2Br)C1 ZINC000291877917 563762914 /nfs/dbraw/zinc/76/29/14/563762914.db2.gz XEZKWXCOAILBRD-GFCCVEGCSA-N 1 0 381.318 2.920 20 0 GFADRO CC(=O)N[C@H](CC(=O)N(C)[C@@H]1CCC[NH2+]CC1)c1ccc(Br)cc1 ZINC000364779355 563763872 /nfs/dbraw/zinc/76/38/72/563763872.db2.gz RIOIHINURDMPNP-IAGOWNOFSA-N 1 0 396.329 2.617 20 0 GFADRO Cn1cc(NC(=O)N[C@H](CCC[NH3+])c2ccccc2)cc(Br)c1=O ZINC000415270360 563764785 /nfs/dbraw/zinc/76/47/85/563764785.db2.gz OFWJWWXGJBJTRA-OAHLLOKOSA-N 1 0 393.285 2.750 20 0 GFADRO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)Nc2cc(Cl)cc(C(F)(F)F)c2)C1 ZINC000415283238 563765406 /nfs/dbraw/zinc/76/54/06/563765406.db2.gz NUTGFCFHRBIIAS-JTQLQIEISA-N 1 0 377.794 2.755 20 0 GFADRO C[NH2+]C[C@H]1CCCN(C(=O)C(=O)Nc2cc(Cl)cc(C(F)(F)F)c2)C1 ZINC000415283239 563765452 /nfs/dbraw/zinc/76/54/52/563765452.db2.gz NUTGFCFHRBIIAS-SNVBAGLBSA-N 1 0 377.794 2.755 20 0 GFADRO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)Nc2cc3sc(C)nc3cc2Cl)C1 ZINC000415288510 563765505 /nfs/dbraw/zinc/76/55/05/563765505.db2.gz ZGFMVPGEXCJHGY-NSHDSACASA-N 1 0 380.901 2.655 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000415293313 563765946 /nfs/dbraw/zinc/76/59/46/563765946.db2.gz LZUHUTYTCBJHGG-HNNXBMFYSA-N 1 0 381.318 2.523 20 0 GFADRO CC(C)(C[NH3+])NC(=O)Nc1cccc(Oc2ncc(Br)cn2)c1 ZINC000415297773 563766098 /nfs/dbraw/zinc/76/60/98/563766098.db2.gz FJMXPQCTOIXADC-UHFFFAOYSA-N 1 0 380.246 2.890 20 0 GFADRO [NH3+]C1(CNC(=O)C(=O)Nc2cc(Br)ccc2F)CCCCCC1 ZINC000415317790 563766848 /nfs/dbraw/zinc/76/68/48/563766848.db2.gz PVIQNCCBQJVQBX-UHFFFAOYSA-N 1 0 386.265 2.695 20 0 GFADRO COC(=O)c1ccc(S(=O)(=O)NCCC[NH+](C(C)C)C(C)C)cc1Cl ZINC000441994094 563767190 /nfs/dbraw/zinc/76/71/90/563767190.db2.gz VJUABJCBAIPUNN-UHFFFAOYSA-N 1 0 390.933 2.914 20 0 GFADRO C[C@H]1C[C@@H](NC(=O)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)CC[N@@H+]1C ZINC000442137781 563768162 /nfs/dbraw/zinc/76/81/62/563768162.db2.gz OWXQDECFZGVRKQ-ONGXEEELSA-N 1 0 377.794 2.896 20 0 GFADRO C[C@H](NC(=O)C(=O)Nc1cc(Cl)ccc1C(F)(F)F)[C@H]1CCC[NH2+]C1 ZINC000415343751 563768270 /nfs/dbraw/zinc/76/82/70/563768270.db2.gz CDQFKAGPGYARFP-UWVGGRQHSA-N 1 0 377.794 2.802 20 0 GFADRO [NH3+][C@@H]1CN(S(=O)(=O)c2c(Cl)ccnc2Cl)C[C@@H]1c1ccc(F)cc1 ZINC000364916176 563768853 /nfs/dbraw/zinc/76/88/53/563768853.db2.gz PCXIUHPZWBSRDF-DGCLKSJQSA-N 1 0 390.267 2.643 20 0 GFADRO C[C@H](NC(=O)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[C@@H]1CCC[NH2+]C1 ZINC000415346235 563768887 /nfs/dbraw/zinc/76/88/87/563768887.db2.gz GVGPSZLVESGIIS-VHSXEESVSA-N 1 0 377.794 2.802 20 0 GFADRO Cc1cc(Br)c(F)cc1NC(=O)N1CCC[N@@H+]([C@@H](C)CO)CC1 ZINC000364930373 563768903 /nfs/dbraw/zinc/76/89/03/563768903.db2.gz FCGCEUDVKWLXQK-LBPRGKRZSA-N 1 0 388.281 2.817 20 0 GFADRO C[C@@H](NC(=O)C(=O)Nc1ccc(Cl)c(Br)c1)[C@@H]1CCC[NH2+]C1 ZINC000415353355 563769413 /nfs/dbraw/zinc/76/94/13/563769413.db2.gz LOBSRPOGTUMAQW-NXEZZACHSA-N 1 0 388.693 2.545 20 0 GFADRO CCOC(=O)c1cc(Br)ccc1NC(=O)N1C[C@H](C[NH3+])C[C@@H]1C ZINC000415352186 563769606 /nfs/dbraw/zinc/76/96/06/563769606.db2.gz PDEPJXRAFWUGNX-QWRGUYRKSA-N 1 0 384.274 2.827 20 0 GFADRO CCOC(=O)c1cc(Br)ccc1NC(=O)N1C[C@H](C)[NH2+]C[C@@H]1C ZINC000415353442 563769611 /nfs/dbraw/zinc/76/96/11/563769611.db2.gz QSODRPSZMXEOAZ-QWRGUYRKSA-N 1 0 384.274 2.840 20 0 GFADRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)Nc1cnn(-c2ccccc2Br)c1 ZINC000415355948 563769983 /nfs/dbraw/zinc/76/99/83/563769983.db2.gz PSRUTBYICXRPCX-RISCZKNCSA-N 1 0 378.274 2.754 20 0 GFADRO C[C@H](CO)[N@@H+]1CCCN(C(=O)Nc2ccc(OC(F)F)c(Cl)c2)CC1 ZINC000364957555 563770138 /nfs/dbraw/zinc/77/01/38/563770138.db2.gz WCTWLPXAVDZPCU-LLVKDONJSA-N 1 0 377.819 2.862 20 0 GFADRO C[C@@H]1CN(C(=O)Nc2cnn(-c3ccccc3Br)c2)CC[C@@H]1[NH3+] ZINC000415354650 563770249 /nfs/dbraw/zinc/77/02/49/563770249.db2.gz NTMWSGGIKGGWOF-RISCZKNCSA-N 1 0 378.274 2.836 20 0 GFADRO C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]CCn1cc(Br)cn1 ZINC000364958414 563770367 /nfs/dbraw/zinc/77/03/67/563770367.db2.gz ZGMTWBHOFRRPMU-PBHICJAKSA-N 1 0 378.318 2.541 20 0 GFADRO C[C@@H](CO)[N@@H+]1CCCN(C(=O)Nc2ccc(OC(F)F)c(Cl)c2)CC1 ZINC000364957558 563770437 /nfs/dbraw/zinc/77/04/37/563770437.db2.gz WCTWLPXAVDZPCU-NSHDSACASA-N 1 0 377.819 2.862 20 0 GFADRO Cc1nn(C)c(NC(=O)N2CC[C@H](C[NH3+])C2)c1-c1ccc(Br)cc1 ZINC000415360442 563770614 /nfs/dbraw/zinc/77/06/14/563770614.db2.gz MDJPCZHTQOUIEH-GFCCVEGCSA-N 1 0 392.301 2.971 20 0 GFADRO CCOc1c(Cl)cc(NC(=O)C(=O)N2CCC([C@@H](C)[NH3+])CC2)cc1Cl ZINC000415379423 563771171 /nfs/dbraw/zinc/77/11/71/563771171.db2.gz DXPYJYLTICQESQ-SNVBAGLBSA-N 1 0 388.295 2.916 20 0 GFADRO CCOc1c(Cl)cc(NC(=O)C(=O)N2CCC(C[NH2+]C)CC2)cc1Cl ZINC000415395997 563772706 /nfs/dbraw/zinc/77/27/06/563772706.db2.gz GMDRDGOSNTWLDC-UHFFFAOYSA-N 1 0 388.295 2.789 20 0 GFADRO C[C@@H](CCCC[NH3+])NC(=O)c1ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c1 ZINC000292068582 563772902 /nfs/dbraw/zinc/77/29/02/563772902.db2.gz KWBCJETZBRFYQX-LBPRGKRZSA-N 1 0 389.949 2.664 20 0 GFADRO O=C(Nc1ccn(-c2ccc(Cl)cc2Cl)n1)N[C@@H]1C[NH2+]CCC1(F)F ZINC000415407596 563773177 /nfs/dbraw/zinc/77/31/77/563773177.db2.gz YMTZKYANPCTNGY-GFCCVEGCSA-N 1 0 390.221 3.298 20 0 GFADRO Cc1cc(F)c(NC(=O)N2C[C@@H](C)[C@@H]([NH3+])C2)c(I)c1 ZINC000415407274 563773213 /nfs/dbraw/zinc/77/32/13/563773213.db2.gz QJMVQYZYQJPNLO-KCJUWKMLSA-N 1 0 377.201 2.550 20 0 GFADRO Cc1cc(Br)cc(Cl)c1NC(=O)C(=O)N[C@H](C[NH3+])CC(C)C ZINC000415426031 563774848 /nfs/dbraw/zinc/77/48/48/563774848.db2.gz MNJYCQJOICSIRD-NSHDSACASA-N 1 0 390.709 2.839 20 0 GFADRO Cc1ccc(NC(=O)C(=O)N[C@@H](C[NH3+])C2CCCCC2)c(Br)c1 ZINC000415425486 563774917 /nfs/dbraw/zinc/77/49/17/563774917.db2.gz LCFHDWCMMCSLDM-HNNXBMFYSA-N 1 0 382.302 2.720 20 0 GFADRO [NH3+]C[C@@H](NC(=O)C(=O)Nc1cc(F)ccc1Br)C1CCCCC1 ZINC000415434538 563775549 /nfs/dbraw/zinc/77/55/49/563775549.db2.gz YKYJDQKEKUPJNQ-CQSZACIVSA-N 1 0 386.265 2.551 20 0 GFADRO [NH3+]C[C@H](NC(=O)C(=O)Nc1c(F)cccc1Br)C1CCCCC1 ZINC000415433408 563775601 /nfs/dbraw/zinc/77/56/01/563775601.db2.gz XFJQINXFWBOZIL-ZDUSSCGKSA-N 1 0 386.265 2.551 20 0 GFADRO COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000415433142 563775806 /nfs/dbraw/zinc/77/58/06/563775806.db2.gz WVONRNNEQOGMOF-CQSZACIVSA-N 1 0 388.295 2.964 20 0 GFADRO O=C(NCC[NH2+]C1CCCCCC1)C(=O)Nc1ccc(Br)cc1 ZINC000415449681 563776202 /nfs/dbraw/zinc/77/62/02/563776202.db2.gz KZQXMRDTKOBHAW-UHFFFAOYSA-N 1 0 382.302 2.816 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)Nc2ccc(Cl)cc2Br)C1 ZINC000415447749 563776237 /nfs/dbraw/zinc/77/62/37/563776237.db2.gz QESDROLHYHGOJS-UWVGGRQHSA-N 1 0 388.693 2.627 20 0 GFADRO CCOCCOc1ccc(Br)cc1NC(=O)NC[C@H]([NH3+])C(C)C ZINC000415443634 563776322 /nfs/dbraw/zinc/77/63/22/563776322.db2.gz GUOVXAFIXUJLBR-ZDUSSCGKSA-N 1 0 388.306 2.969 20 0 GFADRO O=C(Nc1ccc(Br)cc1F)C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000415444362 563776479 /nfs/dbraw/zinc/77/64/79/563776479.db2.gz FLDGIGSUIYLDIQ-UHFFFAOYSA-N 1 0 398.276 2.517 20 0 GFADRO CN1CC[NH+](C[C@@H]2CCCN(c3ncc(Br)cc3Cl)C2)CC1 ZINC000365192488 563777037 /nfs/dbraw/zinc/77/70/37/563777037.db2.gz WYJGINTUVMCWMH-ZDUSSCGKSA-N 1 0 387.753 2.961 20 0 GFADRO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)C[NH2+][C@H]1CCO[C@H]1C1CC1 ZINC000365191943 563777216 /nfs/dbraw/zinc/77/72/16/563777216.db2.gz UMZQKHXCKKKHOD-BBRMVZONSA-N 1 0 387.263 2.876 20 0 GFADRO CCOCCOc1ccc(Br)cc1NC(=O)N[C@@H]1CCC[NH2+]C1 ZINC000415468275 563777767 /nfs/dbraw/zinc/77/77/67/563777767.db2.gz VPVZSCRDGJQJDE-CYBMUJFWSA-N 1 0 386.290 2.738 20 0 GFADRO CCCC[C@H](C[NH3+])NC(=O)C(=O)Nc1ccc(Cl)cc1OCC(F)F ZINC000415488926 563779059 /nfs/dbraw/zinc/77/90/59/563779059.db2.gz AHJSMSBDVVEIAL-LLVKDONJSA-N 1 0 377.819 2.556 20 0 GFADRO C[NH+](C)CCN(C1CCCCC1)S(=O)(=O)c1cnccc1C(F)(F)F ZINC000442769611 563779438 /nfs/dbraw/zinc/77/94/38/563779438.db2.gz VTUCKXZWBHSDBB-UHFFFAOYSA-N 1 0 379.448 2.985 20 0 GFADRO C[C@H](CCC[NH3+])NC(=O)Nc1nnc(-c2cccc(Br)c2)s1 ZINC000415496962 563779569 /nfs/dbraw/zinc/77/95/69/563779569.db2.gz HKRUTHFVHRWOQU-SECBINFHSA-N 1 0 384.303 3.217 20 0 GFADRO CCCN(C(=O)C(=O)Nc1ccc(C)cc1Br)C1CC[NH2+]CC1 ZINC000415495302 563779735 /nfs/dbraw/zinc/77/97/35/563779735.db2.gz FGCHUADEKWGMIE-UHFFFAOYSA-N 1 0 382.302 2.687 20 0 GFADRO Cc1ccc(I)cc1NC(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000415508163 563780212 /nfs/dbraw/zinc/78/02/12/563780212.db2.gz PJBCVIRKKBLREX-OAHLLOKOSA-N 1 0 385.249 2.817 20 0 GFADRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)Nc1cccc(Cl)c1Br ZINC000415506420 563780475 /nfs/dbraw/zinc/78/04/75/563780475.db2.gz RMSQJMLMJQUSPU-NSHDSACASA-N 1 0 390.709 2.873 20 0 GFADRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)Nc1ccnn1Cc1ccccc1Br ZINC000415519319 563780688 /nfs/dbraw/zinc/78/06/88/563780688.db2.gz FOKMUWQVSXZDLM-WFASDCNBSA-N 1 0 392.301 2.813 20 0 GFADRO Cc1csc(Sc2ccc(NC(=O)C(=O)NC[C@H](C)C[NH3+])c(C)c2)n1 ZINC000415513423 563780746 /nfs/dbraw/zinc/78/07/46/563780746.db2.gz XKRCICVAKPHECR-SNVBAGLBSA-N 1 0 378.523 2.561 20 0 GFADRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)Nc1ccnn1Cc1ccccc1Br ZINC000415519317 563780987 /nfs/dbraw/zinc/78/09/87/563780987.db2.gz FOKMUWQVSXZDLM-IUODEOHRSA-N 1 0 392.301 2.813 20 0 GFADRO [NH3+][C@H]1CCCN(C(=O)Nc2ccnn2Cc2ccccc2Br)C1 ZINC000415518971 563781001 /nfs/dbraw/zinc/78/10/01/563781001.db2.gz DZMCAWNSPBOJTK-ZDUSSCGKSA-N 1 0 378.274 2.649 20 0 GFADRO Cc1nc(C)c([C@@H](C)[NH2+]CCNS(=O)(=O)c2ccc(F)cc2F)s1 ZINC000442871832 563781811 /nfs/dbraw/zinc/78/18/11/563781811.db2.gz HERGJNVSRHAXNQ-SECBINFHSA-N 1 0 375.466 2.667 20 0 GFADRO CN(Cc1cn2c(n1)CCCC2)C(=O)c1sccc1S(=O)(=O)C(F)F ZINC000365407776 563782148 /nfs/dbraw/zinc/78/21/48/563782148.db2.gz GTANGPIGQCCVRH-UHFFFAOYSA-N 1 0 389.449 2.549 20 0 GFADRO O=C(NC[C@@H]1CCC[NH2+]C1)Nc1ccnn1Cc1ccc(Br)cc1 ZINC000415528807 563782751 /nfs/dbraw/zinc/78/27/51/563782751.db2.gz MUMYLMHBCYBZQZ-CQSZACIVSA-N 1 0 392.301 2.815 20 0 GFADRO O=S1(=O)CCCN1CC[NH2+][C@H]1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000442876237 563782888 /nfs/dbraw/zinc/78/28/88/563782888.db2.gz PJLGKQWVPBDDCP-ZBFHGGJFSA-N 1 0 376.444 2.967 20 0 GFADRO CC(C)([NH3+])CNC(=O)Nc1nc2ccc(I)cc2s1 ZINC000415531599 563783134 /nfs/dbraw/zinc/78/31/34/563783134.db2.gz WGOODWGXZBNPRS-UHFFFAOYSA-N 1 0 390.250 2.760 20 0 GFADRO Cc1ncc([C@@H](C)[NH2+]CCNS(=O)(=O)c2ccc(Cl)cc2F)c(C)n1 ZINC000442891408 563783173 /nfs/dbraw/zinc/78/31/73/563783173.db2.gz RRINCBHNFXKBJR-SNVBAGLBSA-N 1 0 386.880 2.515 20 0 GFADRO [NH3+]CC[C@H](NC(=O)Nc1cc(Cl)ccc1OC[C@H]1CCOC1)C(F)F ZINC000415538242 563783967 /nfs/dbraw/zinc/78/39/67/563783967.db2.gz IWDOBKAXUOYEBF-JQWIXIFHSA-N 1 0 377.819 2.859 20 0 GFADRO C[NH2+][C@H]1CCN(C(=O)Nc2ccnn2Cc2ccc(Br)cc2)C1 ZINC000415537236 563784066 /nfs/dbraw/zinc/78/40/66/563784066.db2.gz ZKUQHAGTMSOTRA-AWEZNQCLSA-N 1 0 378.274 2.520 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)NCC2(C)CC[NH2+]CC2)c(Br)c1 ZINC000415558044 563784387 /nfs/dbraw/zinc/78/43/87/563784387.db2.gz IQARTLZQCMHQSD-UHFFFAOYSA-N 1 0 382.302 2.510 20 0 GFADRO C[NH2+]CCC1CCN(C(=O)C(=O)Nc2cc(Cl)c(Cl)cc2F)CC1 ZINC000415558397 563784504 /nfs/dbraw/zinc/78/45/04/563784504.db2.gz XZCOAMNFKNQYKS-UHFFFAOYSA-N 1 0 376.259 2.919 20 0 GFADRO C[C@]1(CNC(=O)C(=O)Nc2ccc(C(F)(F)F)cc2Cl)CCC[NH2+]C1 ZINC000415580940 563785105 /nfs/dbraw/zinc/78/51/05/563785105.db2.gz MPXGCORWXBXVFX-HNNXBMFYSA-N 1 0 377.794 2.803 20 0 GFADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccc(Br)c(Cl)c1F ZINC000365524556 563786078 /nfs/dbraw/zinc/78/60/78/563786078.db2.gz UHYGOWKCXCSBRL-UWVGGRQHSA-N 1 0 391.668 2.835 20 0 GFADRO COC[C@]1(CNC(=O)Nc2cccc(Cl)c2Br)CCC[NH2+]1 ZINC000415593899 563786324 /nfs/dbraw/zinc/78/63/24/563786324.db2.gz PAXHFAJKVXBTFF-CQSZACIVSA-N 1 0 376.682 2.993 20 0 GFADRO COc1cc(NC(=O)N2CC[NH2+]CC2)c(Br)cc1Br ZINC000415595049 563786397 /nfs/dbraw/zinc/78/63/97/563786397.db2.gz WMAYCLLPLDUCOD-UHFFFAOYSA-N 1 0 393.079 2.657 20 0 GFADRO COC(=O)c1c(C)c(NC(=O)N2CC[C@H]([NH3+])[C@@H](C)C2)ccc1Br ZINC000415604875 563787439 /nfs/dbraw/zinc/78/74/39/563787439.db2.gz WQNIJBXYUIUJTM-CABZTGNLSA-N 1 0 384.274 2.745 20 0 GFADRO CC(C)Sc1c(Cl)cccc1NC(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000415607410 563787658 /nfs/dbraw/zinc/78/76/58/563787658.db2.gz SPSZVUDJAYLRKE-GOSISDBHSA-N 1 0 381.929 2.991 20 0 GFADRO COC(=O)c1cccc(NC(=O)N2CC[C@@H](C)C[C@H]2C[NH3+])c1Br ZINC000415617596 563788252 /nfs/dbraw/zinc/78/82/52/563788252.db2.gz VIZOAKPEQWAPLN-MNOVXSKESA-N 1 0 384.274 2.827 20 0 GFADRO O=C(Cc1cscc1Br)N1CCN(Cc2cccnc2)CC1 ZINC000292486809 563788574 /nfs/dbraw/zinc/78/85/74/563788574.db2.gz CFJOCYKBZMEPDE-UHFFFAOYSA-N 1 0 380.311 2.793 20 0 GFADRO COC(=O)c1cc(F)c(Br)cc1NC(=O)N1C[C@@H](C)[NH2+]C[C@H]1C ZINC000415631674 563788789 /nfs/dbraw/zinc/78/87/89/563788789.db2.gz NHAHLAQWJDXWJG-RKDXNWHRSA-N 1 0 388.237 2.589 20 0 GFADRO O=C(Nc1cc(Cl)ccc1C(F)(F)F)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000415627797 563788795 /nfs/dbraw/zinc/78/87/95/563788795.db2.gz CTVNYYUQWHXFGA-PHIMTYICSA-N 1 0 375.778 2.650 20 0 GFADRO O=C1[C@@H]([NH2+]Cc2cnn(CC(F)F)c2)CCN1c1cccc(Br)c1 ZINC000292500432 563789319 /nfs/dbraw/zinc/78/93/19/563789319.db2.gz CICRRXTTYUEUBR-AWEZNQCLSA-N 1 0 399.239 2.806 20 0 GFADRO COCC[NH2+]CCNC(=O)Nc1cc(C(F)(F)F)ccc1Br ZINC000415646608 563789849 /nfs/dbraw/zinc/78/98/49/563789849.db2.gz CUTQKOSLCGDLSI-UHFFFAOYSA-N 1 0 384.196 2.825 20 0 GFADRO CO[C@@H](C[NH3+])CC(=O)N1CCC(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000365714227 563791203 /nfs/dbraw/zinc/79/12/03/563791203.db2.gz WFZRGCMUFOHGHE-CYBMUJFWSA-N 1 0 388.295 2.534 20 0 GFADRO C[C@H]1C[C@H](NC(=O)C(=O)Nc2ccc(Br)c3ccccc23)CC[NH2+]1 ZINC000415685667 563791536 /nfs/dbraw/zinc/79/15/36/563791536.db2.gz URCUEMQEOKKQFD-NWDGAFQWSA-N 1 0 390.281 2.798 20 0 GFADRO COC(=O)c1cc(NC(=O)N[C@H]2CCC[C@H]([NH3+])C2)c(C)cc1Br ZINC000415711099 563792798 /nfs/dbraw/zinc/79/27/98/563792798.db2.gz RRXVSZSWZRXHKX-QWRGUYRKSA-N 1 0 384.274 2.936 20 0 GFADRO COC(=O)c1cc(NC(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)c(C)cc1Br ZINC000415711191 563792853 /nfs/dbraw/zinc/79/28/53/563792853.db2.gz SGZQDKXCYIVDFB-NEPJUHHUSA-N 1 0 396.285 2.902 20 0 GFADRO CC(C)(CCC[NH3+])NC(=O)C(=O)Nc1ccc(Br)c(Cl)c1 ZINC000415753232 563794556 /nfs/dbraw/zinc/79/45/56/563794556.db2.gz CNBWXVKXZQRIPK-UHFFFAOYSA-N 1 0 376.682 2.675 20 0 GFADRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)Nc1ccn(-c2ccc(Br)cc2)n1 ZINC000415762546 563794934 /nfs/dbraw/zinc/79/49/34/563794934.db2.gz WMKCCSFKUSOVRU-WFASDCNBSA-N 1 0 392.301 3.274 20 0 GFADRO Cc1ccc(SCC(F)(F)F)c(NC(=O)C(=O)N[C@@H](C)CCC[NH3+])c1 ZINC000415764853 563794983 /nfs/dbraw/zinc/79/49/83/563794983.db2.gz UEELCIYSLKLUDU-NSHDSACASA-N 1 0 377.432 2.832 20 0 GFADRO COc1cc(I)ccc1NC(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000415771591 563795624 /nfs/dbraw/zinc/79/56/24/563795624.db2.gz IBFLSHSFEXCZNC-NXEZZACHSA-N 1 0 389.237 2.501 20 0 GFADRO COc1cc(I)ccc1NC(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000415767666 563795682 /nfs/dbraw/zinc/79/56/82/563795682.db2.gz AXYNKZWYANEFSQ-ONGXEEELSA-N 1 0 389.237 2.549 20 0 GFADRO COc1cc(I)ccc1NC(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000415770644 563795724 /nfs/dbraw/zinc/79/57/24/563795724.db2.gz GUTRLFKJPBZQOU-GHMZBOCLSA-N 1 0 389.237 2.691 20 0 GFADRO [NH3+][C@H]1CCC[C@H](CNC(=O)C(=O)Nc2cccc(Cl)c2Br)C1 ZINC000415804942 563796942 /nfs/dbraw/zinc/79/69/42/563796942.db2.gz IMMSPKYYZWNHNY-UWVGGRQHSA-N 1 0 388.693 2.675 20 0 GFADRO [NH3+][C@@H]1CCC[C@H](CNC(=O)C(=O)Nc2ccc(OC(F)F)c(Cl)c2)C1 ZINC000415806644 563797471 /nfs/dbraw/zinc/79/74/71/563797471.db2.gz KENMRSFLDJRORJ-VHSXEESVSA-N 1 0 375.803 2.514 20 0 GFADRO [NH3+][C@H]1CCC[C@@H](CNC(=O)C(=O)Nc2ccc(Cl)cc2OC(F)F)C1 ZINC000415808524 563797642 /nfs/dbraw/zinc/79/76/42/563797642.db2.gz MFYNXNZAOKFROT-KOLCDFICSA-N 1 0 375.803 2.514 20 0 GFADRO CSc1ccc(Cl)cc1NC(=O)C(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000415820961 563798052 /nfs/dbraw/zinc/79/80/52/563798052.db2.gz MIHLARXWAADAST-QWHCGFSZSA-N 1 0 381.929 2.849 20 0 GFADRO Cc1ccc(NC(=O)C(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1Br ZINC000415825126 563798125 /nfs/dbraw/zinc/79/81/25/563798125.db2.gz XREPDLRKAKVXBS-ZIAGYGMSSA-N 1 0 394.313 2.544 20 0 GFADRO Cc1c(Br)cccc1NC(=O)C(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000415815680 563798145 /nfs/dbraw/zinc/79/81/45/563798145.db2.gz GFXOZACVUNBGFN-UONOGXRCSA-N 1 0 394.313 2.544 20 0 GFADRO CSc1ccc(Cl)cc1NC(=O)C(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000415820962 563798466 /nfs/dbraw/zinc/79/84/66/563798466.db2.gz MIHLARXWAADAST-STQMWFEESA-N 1 0 381.929 2.849 20 0 GFADRO C[C@H]1CCN(C(=O)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)C[C@@H]1C[NH3+] ZINC000415840801 563799193 /nfs/dbraw/zinc/79/91/93/563799193.db2.gz GMPOTQCVJQSWTP-UWVGGRQHSA-N 1 0 377.794 2.741 20 0 GFADRO O=C(NCCC[NH2+]C1CC1)C(=O)Nc1ccc(-c2ccc(Cl)s2)nc1 ZINC000415865931 563799509 /nfs/dbraw/zinc/79/95/09/563799509.db2.gz XZXPHNCWTLWCKR-UHFFFAOYSA-N 1 0 378.885 2.660 20 0 GFADRO O=C(NCCC[NH2+]C1CC1)C(=O)Nc1cccc(Cl)c1SCC(F)F ZINC000415857285 563799539 /nfs/dbraw/zinc/79/95/39/563799539.db2.gz HIQJFXQOBLISKL-UHFFFAOYSA-N 1 0 391.871 2.894 20 0 GFADRO C[C@@H]1CCN(C(=O)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)C[C@H]1C[NH3+] ZINC000415851927 563799609 /nfs/dbraw/zinc/79/96/09/563799609.db2.gz PWHISETWNVXQGJ-NXEZZACHSA-N 1 0 377.794 2.741 20 0 GFADRO O=C(/C=C/c1cc(Br)ccc1F)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000366205870 563801445 /nfs/dbraw/zinc/80/14/45/563801445.db2.gz ZDQDIMGINMIVDX-SIEGMDDESA-N 1 0 397.288 2.971 20 0 GFADRO O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(F)c(I)c1 ZINC000366220630 563801960 /nfs/dbraw/zinc/80/19/60/563801960.db2.gz FQSXRFUBKVYYOD-RYUDHWBXSA-N 1 0 388.224 2.787 20 0 GFADRO Cn1cc(Br)c(C(=O)NC[C@H]2CCCC[N@@H+]2Cc2ccccc2)n1 ZINC000293387103 563810842 /nfs/dbraw/zinc/81/08/42/563810842.db2.gz QCIMHOVENGJFAJ-OAHLLOKOSA-N 1 0 391.313 2.967 20 0 GFADRO C[NH+](C)C1(CNC(=O)CCC[S@](=O)c2ccc(Br)cc2)CC1 ZINC000416302144 563813712 /nfs/dbraw/zinc/81/37/12/563813712.db2.gz NNGAHDXZSJYVLP-QFIPXVFZSA-N 1 0 387.343 2.547 20 0 GFADRO Cc1cc(C(=O)N[C@H]2CC23CC[NH2+]CC3)nn1-c1ccc(Br)cc1 ZINC000366565320 563813841 /nfs/dbraw/zinc/81/38/41/563813841.db2.gz IYNUAYDDEOXQLL-INIZCTEOSA-N 1 0 389.297 2.815 20 0 GFADRO Cn1cc(Br)c(C(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)n1 ZINC000293468742 563814099 /nfs/dbraw/zinc/81/40/99/563814099.db2.gz UAMMZJSLUGDSAL-UHFFFAOYSA-N 1 0 391.313 2.919 20 0 GFADRO C[NH+](C)C1(CNC(=O)c2cnc3c(Cl)cc(Br)cc3c2O)CC1 ZINC000416306967 563815318 /nfs/dbraw/zinc/81/53/18/563815318.db2.gz IMDZVJPLPZOVRB-UHFFFAOYSA-N 1 0 398.688 2.768 20 0 GFADRO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)CCCc1ccccc1Br ZINC000416317986 563816278 /nfs/dbraw/zinc/81/62/78/563816278.db2.gz XFJLBWHZIDJERL-LSDHHAIUSA-N 1 0 383.330 2.685 20 0 GFADRO CC[NH+](CC)[C@H]1CCN(S(=O)(=O)c2cc(C)cc(Br)c2)C1 ZINC000444070005 563819786 /nfs/dbraw/zinc/81/97/86/563819786.db2.gz GTFNOCLUXABMMC-AWEZNQCLSA-N 1 0 375.332 2.862 20 0 GFADRO COC(=O)c1c(Cl)cccc1S(=O)(=O)NCC[N@H+](C)C1CCCCC1 ZINC000416386071 563821283 /nfs/dbraw/zinc/82/12/83/563821283.db2.gz IBJHHEXXAQKORV-UHFFFAOYSA-N 1 0 388.917 2.669 20 0 GFADRO O=C([C@@H]1C[C@@]12CC[NH2+]C2)N1CCC[C@H]1c1ccccc1I ZINC000444120763 563821915 /nfs/dbraw/zinc/82/19/15/563821915.db2.gz XCSFHKPQAGAGHY-JLJPHGGASA-N 1 0 396.272 2.954 20 0 GFADRO CCC[NH+]1CCC(N(C)S(=O)(=O)c2cccc(Cl)c2C(=O)OC)CC1 ZINC000416391875 563822433 /nfs/dbraw/zinc/82/24/33/563822433.db2.gz PSKNLUOMAYRHAQ-UHFFFAOYSA-N 1 0 388.917 2.622 20 0 GFADRO CCOC(=O)C[C@H](NC(=O)[C@@H]1C[C@@]12CC[NH2+]C2)c1ccc(Br)cc1 ZINC000444134198 563822801 /nfs/dbraw/zinc/82/28/01/563822801.db2.gz XQAYYEUXCPDIBD-RLFYNMQTSA-N 1 0 395.297 2.559 20 0 GFADRO O=C(NC[C@H](c1ccc(Cl)cc1)N1CCc2sccc2C1)[C@H]1CC[NH2+]1 ZINC000444177536 563823583 /nfs/dbraw/zinc/82/35/83/563823583.db2.gz XGJKGPWOMQYUEY-IAGOWNOFSA-N 1 0 375.925 2.979 20 0 GFADRO Cc1cc(S(=O)(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)c(F)cc1Br ZINC000416408152 563824015 /nfs/dbraw/zinc/82/40/15/563824015.db2.gz OFQQKAWEQJBQAV-GHMZBOCLSA-N 1 0 379.295 2.658 20 0 GFADRO Cn1cc(Br)c(C(=O)Nc2cccc(OCCC[NH+](C)C)c2)n1 ZINC000293807493 563824445 /nfs/dbraw/zinc/82/44/45/563824445.db2.gz RLFYOXAYTJWKNE-UHFFFAOYSA-N 1 0 381.274 2.765 20 0 GFADRO CCC[N@H+](C)C[C@H]1CCN(S(=O)(=O)c2cc(Cl)c(OC)cc2OC)C1 ZINC000416410848 563824504 /nfs/dbraw/zinc/82/45/04/563824504.db2.gz HPNPNLUWEMRKQM-CYBMUJFWSA-N 1 0 390.933 2.710 20 0 GFADRO O=S(=O)(c1cc(Br)ccc1Cl)N1CCC2(C1)CC[NH2+]CC2 ZINC000366935822 563824954 /nfs/dbraw/zinc/82/49/54/563824954.db2.gz KYKHCVPLFGODAM-UHFFFAOYSA-N 1 0 393.734 2.867 20 0 GFADRO COC(=O)c1ccc(C[NH2+][C@@H]2CCO[C@@]3(CCOC3)C2)c(Br)c1 ZINC000366931767 563825336 /nfs/dbraw/zinc/82/53/36/563825336.db2.gz IOXPZFDBHXPMDI-PBHICJAKSA-N 1 0 384.270 2.663 20 0 GFADRO Cc1c(C(=O)NCC[C@H]2CCC[NH2+]2)cnn1-c1cccc(Br)c1 ZINC000444267418 563826227 /nfs/dbraw/zinc/82/62/27/563826227.db2.gz GGYMCSRMZVRAAZ-CQSZACIVSA-N 1 0 377.286 2.815 20 0 GFADRO C[N@@H+]1CCC[C@]2(CCN(C(=O)c3cc4c(c(Br)c3)OCO4)C2)C1 ZINC000293850149 563826189 /nfs/dbraw/zinc/82/61/89/563826189.db2.gz CZUOKHKXVHKHLW-KRWDZBQOSA-N 1 0 381.270 2.736 20 0 GFADRO C[NH+](C)C/C=C/C(=O)NC1(Cc2ccc(F)cc2Br)CCOCC1 ZINC000294008622 563828968 /nfs/dbraw/zinc/82/89/68/563828968.db2.gz VRPZQGRETOHWBH-ONEGZZNKSA-N 1 0 399.304 2.914 20 0 GFADRO COc1cc(OC)c(S(=O)(=O)N[C@H](C)C[NH+]2CCCCCC2)cc1Cl ZINC000416468184 563833442 /nfs/dbraw/zinc/83/34/42/563833442.db2.gz XTLRXPKBSHAUNJ-CYBMUJFWSA-N 1 0 390.933 2.900 20 0 GFADRO CCO[C@@H]1C[C@@](CO)([NH2+]CC(=O)Nc2ccc(Br)c(C)c2)C1(C)C ZINC000444791891 563837449 /nfs/dbraw/zinc/83/74/49/563837449.db2.gz MDPCMNQJDSTWLS-QAPCUYQASA-N 1 0 399.329 2.852 20 0 GFADRO C[N@H+](CCCCNS(=O)(=O)Cc1ccc(Br)cc1)C1CC1 ZINC000416505130 563840022 /nfs/dbraw/zinc/84/00/22/563840022.db2.gz AZAROIDQERPBIK-UHFFFAOYSA-N 1 0 375.332 2.743 20 0 GFADRO C[NH+](C)CC(C)(C)NS(=O)(=O)Cc1ccc(Cl)cc1Br ZINC000416508601 563840633 /nfs/dbraw/zinc/84/06/33/563840633.db2.gz PCCHHXQNYBVKFH-UHFFFAOYSA-N 1 0 383.739 2.862 20 0 GFADRO NC(=O)C[C@H]1CC[N@H+](Cc2ccnc(-c3ccc(Br)cc3)n2)C1 ZINC000367309536 563840909 /nfs/dbraw/zinc/84/09/09/563840909.db2.gz WPDIGESFQLACJV-GFCCVEGCSA-N 1 0 375.270 2.603 20 0 GFADRO COc1cccc([C@H](CNC(=O)c2cc[nH]c(=O)c2Br)[NH+](C)C)c1 ZINC000445247561 563846610 /nfs/dbraw/zinc/84/66/10/563846610.db2.gz HFLGPCVXVBVWON-AWEZNQCLSA-N 1 0 394.269 2.591 20 0 GFADRO CC[NH+](CC)CCSCC(=O)N[C@H]1CCC(=O)N(C)[C@H]1c1cccs1 ZINC000367509753 563847198 /nfs/dbraw/zinc/84/71/98/563847198.db2.gz IGXZMOKAIXTHDQ-KBXCAEBGSA-N 1 0 383.583 2.601 20 0 GFADRO O=C(c1cnn2cc(Br)cnc12)N1CCC[C@H]([NH+]2CCCCC2)C1 ZINC000367529902 563847984 /nfs/dbraw/zinc/84/79/84/563847984.db2.gz XLLXEDBPTDFGHK-AWEZNQCLSA-N 1 0 392.301 2.582 20 0 GFADRO C[N@@H+]1CC[C@H]2CCN(C(=O)Nc3cccc(I)c3)C[C@H]21 ZINC000367586842 563850127 /nfs/dbraw/zinc/85/01/27/563850127.db2.gz HNSLLXZOFSMMDM-SMDDNHRTSA-N 1 0 385.249 2.849 20 0 GFADRO COCCCOc1ccc(Cl)cc1S(=O)(=O)NCC1([NH+](C)C)CCC1 ZINC000445744951 563853594 /nfs/dbraw/zinc/85/35/94/563853594.db2.gz UZXCKCBOUGXYSB-UHFFFAOYSA-N 1 0 390.933 2.518 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000367796945 563856213 /nfs/dbraw/zinc/85/62/13/563856213.db2.gz IJYMVGODKILFQB-CXAGYDPISA-N 1 0 389.297 2.767 20 0 GFADRO CC[NH+]1CCC(N(C)C(=O)[C@@H]2CC(=O)Nc3ccc(Br)cc32)CC1 ZINC000446092075 563858405 /nfs/dbraw/zinc/85/84/05/563858405.db2.gz SFZPKJAGOPODHA-OAHLLOKOSA-N 1 0 394.313 2.818 20 0 GFADRO COc1c(Cl)cc(NC(=O)N2C[C@H](C)[N@H+](CCO)C[C@@H]2C)cc1Cl ZINC000416780917 563861515 /nfs/dbraw/zinc/86/15/15/563861515.db2.gz DCLPWDQGDQYTBY-QWRGUYRKSA-N 1 0 376.284 2.921 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000416825183 563861732 /nfs/dbraw/zinc/86/17/32/563861732.db2.gz IZIAIVSCLSZGCY-WFASDCNBSA-N 1 0 397.317 2.513 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)NCC1([NH3+])CCCCC1 ZINC000416828868 563861827 /nfs/dbraw/zinc/86/18/27/563861827.db2.gz MRACRPOVNDFLSM-UHFFFAOYSA-N 1 0 397.317 2.657 20 0 GFADRO COc1cc(C[N@@H+]2CC[C@@H](CC(N)=O)C2)cc(Br)c1OC(F)F ZINC000368134428 563865253 /nfs/dbraw/zinc/86/52/53/563865253.db2.gz MDFBBTOQQACORE-VIFPVBQESA-N 1 0 393.228 2.756 20 0 GFADRO C[NH+]1CCC(N(Cc2ccccc2Br)C(=O)C2CC(=O)C2)CC1 ZINC000368206512 563866025 /nfs/dbraw/zinc/86/60/25/563866025.db2.gz SEPLAYAAEDLDAX-UHFFFAOYSA-N 1 0 379.298 2.851 20 0 GFADRO CN1CC[NH+](CC2(C)CCN(C(=O)c3cccc(Br)c3)CC2)CC1 ZINC000368330888 563869099 /nfs/dbraw/zinc/86/90/99/563869099.db2.gz YHMFDSRAPOOZIF-UHFFFAOYSA-N 1 0 394.357 2.939 20 0 GFADRO Cc1ccc(Br)c(CNC(=O)Nc2ccnn2CC[NH+](C)C)c1 ZINC000417154916 563869230 /nfs/dbraw/zinc/86/92/30/563869230.db2.gz AIAYHVDEKCVNOY-UHFFFAOYSA-N 1 0 380.290 2.837 20 0 GFADRO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(C(=O)c2c(Cl)cc(F)cc2Cl)CC1 ZINC000368438957 563870678 /nfs/dbraw/zinc/87/06/78/563870678.db2.gz PIKKLPFXKHRRNS-CQSZACIVSA-N 1 0 388.270 2.687 20 0 GFADRO CCOC(=O)[C@](C)(O)C[NH2+][C@H](c1cc(Cl)ccc1Cl)[C@@H]1CCOC1 ZINC000368432364 563870713 /nfs/dbraw/zinc/87/07/13/563870713.db2.gz BPTXMLNGEGQRNW-XQAQDONZSA-N 1 0 376.280 2.975 20 0 GFADRO O=C(Cc1ccc(F)c(Br)c1)N1CCN[C@H](c2cccnc2)C1 ZINC000368516580 563872880 /nfs/dbraw/zinc/87/28/80/563872880.db2.gz CUNZQQCTBJPMQV-INIZCTEOSA-N 1 0 378.245 2.699 20 0 GFADRO COCC[C@]1([NH2+]Cc2cnn(-c3ccc(Br)cc3)c2)CCOC1 ZINC000447081612 563874272 /nfs/dbraw/zinc/87/42/72/563874272.db2.gz HKCKHLQZICOXNK-KRWDZBQOSA-N 1 0 380.286 2.920 20 0 GFADRO CC[N@@H+]1CC[C@H](NCc2ccc(S(C)(=O)=O)c(C(F)(F)F)c2)[C@@H](C)C1 ZINC000447084627 563874313 /nfs/dbraw/zinc/87/43/13/563874313.db2.gz FCRYIGLUOUATCL-WFASDCNBSA-N 1 0 378.460 2.929 20 0 GFADRO CCCC[C@@H](C[NH3+])NC(=O)NCCC(=O)Nc1ccc(Br)cc1 ZINC000417227460 563874596 /nfs/dbraw/zinc/87/45/96/563874596.db2.gz PXPWVWJKVQWTAH-AWEZNQCLSA-N 1 0 385.306 2.594 20 0 GFADRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)c3cnn(-c4cccc(Br)c4)c3)C[C@H]21 ZINC000368611779 563875500 /nfs/dbraw/zinc/87/55/00/563875500.db2.gz IQECRDDKWFKBTF-JCURWCKSSA-N 1 0 389.297 2.834 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000417364599 563878657 /nfs/dbraw/zinc/87/86/57/563878657.db2.gz HQHOMFCJSKDFLE-TZMCWYRMSA-N 1 0 397.317 2.526 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000417369352 563878662 /nfs/dbraw/zinc/87/86/62/563878662.db2.gz QXXARNKGPYQDQT-TZMCWYRMSA-N 1 0 397.317 2.513 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000417364598 563878716 /nfs/dbraw/zinc/87/87/16/563878716.db2.gz HQHOMFCJSKDFLE-OCCSQVGLSA-N 1 0 397.317 2.526 20 0 GFADRO C[C@H]1C[NH2+]CCN1C(=O)NCC1(c2ccc(Br)cc2)CCOCC1 ZINC000417418922 563879589 /nfs/dbraw/zinc/87/95/89/563879589.db2.gz CEHJEIRQIQSSSC-AWEZNQCLSA-N 1 0 396.329 2.501 20 0 GFADRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)NCc1cc(Br)ccc1OC(F)F ZINC000417408271 563879676 /nfs/dbraw/zinc/87/96/76/563879676.db2.gz OGXNRHVNOGEMDE-CABZTGNLSA-N 1 0 392.244 2.848 20 0 GFADRO Cc1ncsc1CN(C[C@H]1CC[NH2+]C1)C(=O)CSCc1ccccn1 ZINC000447437917 563881699 /nfs/dbraw/zinc/88/16/99/563881699.db2.gz DCHMGKZEMGVZCR-HNNXBMFYSA-N 1 0 376.551 2.718 20 0 GFADRO CN1CC[NH+](C[C@H]2CCCN(C(=O)c3ccc(Br)cc3)C2)CC1 ZINC000368979772 563883608 /nfs/dbraw/zinc/88/36/08/563883608.db2.gz UQNUTUGZJUBTMM-OAHLLOKOSA-N 1 0 380.330 2.549 20 0 GFADRO C[C@H](CO)[N@@H+]1CCCN(C(=O)[C@@H](C)c2ccc(Br)s2)CC1 ZINC000368975865 563883784 /nfs/dbraw/zinc/88/37/84/563883784.db2.gz SOAQSVOONHPBCB-NEPJUHHUSA-N 1 0 375.332 2.529 20 0 GFADRO C[C@H](CNC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)Sc1ccc(Br)cc1 ZINC000417578308 563883801 /nfs/dbraw/zinc/88/38/01/563883801.db2.gz NNBOVKGXIPSXPA-UPJWGTAASA-N 1 0 384.343 2.791 20 0 GFADRO CN(Cc1csc(Br)c1)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000369029495 563884576 /nfs/dbraw/zinc/88/45/76/563884576.db2.gz XQVCSFJNGLIVNO-STQMWFEESA-N 1 0 388.331 2.515 20 0 GFADRO CC(C)C[C@@H](C[NH3+])NC(=O)N[C@@H]1CCN(c2ccccc2Br)C1 ZINC000417600427 563885389 /nfs/dbraw/zinc/88/53/89/563885389.db2.gz JIPLUZRKLISTHW-KGLIPLIRSA-N 1 0 383.334 2.700 20 0 GFADRO Cc1cc(NC(=O)NC[C@H](c2ccsc2)[NH+](C)C)nn1CC(F)(F)F ZINC000417617487 563886089 /nfs/dbraw/zinc/88/60/89/563886089.db2.gz WCTOCYDHOHWMSB-GFCCVEGCSA-N 1 0 375.420 3.240 20 0 GFADRO C[C@@H](CCCC[NH3+])NC(=O)N[C@H]1CCN(c2ccccc2Br)C1 ZINC000417600846 563886198 /nfs/dbraw/zinc/88/61/98/563886198.db2.gz KIXRKKHRZBFEEK-KBPBESRZSA-N 1 0 383.334 2.845 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)CN1c2ccsc2CCCC1=O)c1cccs1 ZINC000369082009 563886400 /nfs/dbraw/zinc/88/64/00/563886400.db2.gz VFYAAGKHAPDSAJ-AWEZNQCLSA-N 1 0 377.535 2.898 20 0 GFADRO C[N@@H+]1CCCC(C)(C)[C@H]1CN[C@H](C(N)=O)c1ccc(Br)cc1F ZINC000447797604 563886718 /nfs/dbraw/zinc/88/67/18/563886718.db2.gz LNMUNESKZKAXHJ-CABCVRRESA-N 1 0 386.309 2.825 20 0 GFADRO O=C1c2ccccc2C(=O)N1CC[NH2+]Cc1cc(F)cc(Br)c1 ZINC000447820598 563887054 /nfs/dbraw/zinc/88/70/54/563887054.db2.gz GWFVXFQLMYFYCG-UHFFFAOYSA-N 1 0 377.213 2.974 20 0 GFADRO CC[C@H]1Cc2c(Br)cccc2CN1C(=O)NCCOCC[NH+](C)C ZINC000447811667 563887161 /nfs/dbraw/zinc/88/71/61/563887161.db2.gz HELKQLGYGQKMJM-HNNXBMFYSA-N 1 0 398.345 2.874 20 0 GFADRO Cc1[nH]c(=S)sc1CC(=O)NC[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000369162462 563887911 /nfs/dbraw/zinc/88/79/11/563887911.db2.gz JNYOLSKIWMKLRD-HNNXBMFYSA-N 1 0 376.551 2.706 20 0 GFADRO [NH3+]C[C@H]1CC[C@@H](NC(=O)NCCOc2ncc(C(F)(F)F)cc2Cl)C1 ZINC000417732678 563888147 /nfs/dbraw/zinc/88/81/47/563888147.db2.gz HTSYRWWGMVIQJW-GXSJLCMTSA-N 1 0 380.798 2.559 20 0 GFADRO CO[C@H]1CCN(C(=O)NCc2cc(Cl)ccc2OC(F)F)[C@H](C[NH3+])C1 ZINC000417776944 563889214 /nfs/dbraw/zinc/88/92/14/563889214.db2.gz BSIQVSRAPYSVSF-STQMWFEESA-N 1 0 377.819 2.589 20 0 GFADRO C[NH2+]C[C@H]1CCCN(C(=O)NC[C@@H](C)Oc2cccc(Br)c2)C1 ZINC000417794386 563889732 /nfs/dbraw/zinc/88/97/32/563889732.db2.gz MTZZBYBWSATCHK-ZIAGYGMSSA-N 1 0 384.318 2.857 20 0 GFADRO CC[C@H](Cc1ccccc1Br)NC(=O)NC[C@]1(COC)CCC[NH2+]1 ZINC000417882301 563890291 /nfs/dbraw/zinc/89/02/91/563890291.db2.gz GZQZWCJIUNGHDU-QAPCUYQASA-N 1 0 398.345 2.838 20 0 GFADRO C[C@@H](NC(=O)[C@H](C)[NH2+][C@H](CO)[C@H]1CCCO1)c1ccc(Cl)cc1Cl ZINC000447917433 563890341 /nfs/dbraw/zinc/89/03/41/563890341.db2.gz XUNBMFQTJAKNGW-OXUXUCFPSA-N 1 0 375.296 2.689 20 0 GFADRO C[C@H](CNC(=O)NCC1(C)CC[NH2+]CC1)Oc1ccccc1Br ZINC000417830041 563890346 /nfs/dbraw/zinc/89/03/46/563890346.db2.gz RKEWMZRVZOTMJY-CYBMUJFWSA-N 1 0 384.318 2.905 20 0 GFADRO C[C@H](Cc1ccc(F)c(Br)c1)NC(=O)N[C@@H](CC[NH3+])C(F)F ZINC000417893773 563890774 /nfs/dbraw/zinc/89/07/74/563890774.db2.gz FGUKUSBNBLSJSK-PELKAZGASA-N 1 0 382.224 2.801 20 0 GFADRO C[C@H](C(=O)Nc1cccc(Cl)c1Cl)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000369270522 563891022 /nfs/dbraw/zinc/89/10/22/563891022.db2.gz MBIVVWZXHHDFSX-UHOFOFEASA-N 1 0 386.323 2.851 20 0 GFADRO CO[C@H]1CCN(C(=O)NCC(C)(C)c2ccccc2Br)[C@@H](C[NH3+])C1 ZINC000417906616 563891528 /nfs/dbraw/zinc/89/15/28/563891528.db2.gz CIBDVCNOAIIZQO-KGLIPLIRSA-N 1 0 398.345 2.874 20 0 GFADRO C[C@@H](Cc1cc(Br)ccc1F)NC(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000417919552 563891672 /nfs/dbraw/zinc/89/16/72/563891672.db2.gz CTOSAPCPUVNNAW-SJCJKPOMSA-N 1 0 384.293 2.914 20 0 GFADRO Brc1c(CNCc2ccnc(-n3cccn3)c2)nc2ccccn12 ZINC000369317901 563892077 /nfs/dbraw/zinc/89/20/77/563892077.db2.gz RRAIVPYVLGNPPM-UHFFFAOYSA-N 1 0 383.253 2.967 20 0 GFADRO COc1cc(C[NH2+][C@H](CO)[C@H]2CCCO2)cc(Br)c1OC(F)F ZINC000447991051 563892255 /nfs/dbraw/zinc/89/22/55/563892255.db2.gz TUMFHTYQVWANIS-VXGBXAGGSA-N 1 0 396.228 2.689 20 0 GFADRO COC[C@]1(CNC(=O)NCCOCc2ccc(Cl)cc2Cl)CCC[NH2+]1 ZINC000417975541 563893437 /nfs/dbraw/zinc/89/34/37/563893437.db2.gz FFNDRQRVOYOEKA-QGZVFWFLSA-N 1 0 390.311 2.578 20 0 GFADRO CCC([NH3+])(CC)CNC(=O)NCCc1cn2cc(Br)cc(C)c2n1 ZINC000417994827 563894082 /nfs/dbraw/zinc/89/40/82/563894082.db2.gz AKZKCISGWIBUGF-UHFFFAOYSA-N 1 0 396.333 2.764 20 0 GFADRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)NCCc1c[nH]c2ccc(Br)cc12 ZINC000417994605 563894241 /nfs/dbraw/zinc/89/42/41/563894241.db2.gz CMFCWDKLHCTLLF-NHYWBVRUSA-N 1 0 379.302 2.770 20 0 GFADRO COc1cc(Br)ccc1CCCNC(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000417999435 563894768 /nfs/dbraw/zinc/89/47/68/563894768.db2.gz IALOBMKDIWMDDD-GJZGRUSLSA-N 1 0 384.318 2.959 20 0 GFADRO O=C(NCCc1c[nH]c2ccc(Br)cc12)NC[C@H]1CCC[NH2+]C1 ZINC000418007837 563895024 /nfs/dbraw/zinc/89/50/24/563895024.db2.gz RLOJHCWXCKNQRY-LBPRGKRZSA-N 1 0 379.302 2.772 20 0 GFADRO C[C@H]1CCN(C(=O)NCc2cc(Br)cc3c2OCC3)[C@@H](C[NH3+])C1 ZINC000418011334 563895048 /nfs/dbraw/zinc/89/50/48/563895048.db2.gz KQCOWNQPQYXFKH-XHDPSFHLSA-N 1 0 382.302 2.653 20 0 GFADRO CCCOC[C@H](Cc1cccc(Br)c1)NC(=O)NCC(C)(C)[NH3+] ZINC000418031885 563896511 /nfs/dbraw/zinc/89/65/11/563896511.db2.gz OZIIEFHVMMTCOF-HNNXBMFYSA-N 1 0 386.334 2.823 20 0 GFADRO O=C(N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1)N[C@H]1C[NH2+]CCC1(F)F ZINC000418055409 563896997 /nfs/dbraw/zinc/89/69/97/563896997.db2.gz BGFJXRHGEBFLDZ-FZMZJTMJSA-N 1 0 393.265 2.869 20 0 GFADRO CO[C@@H]1CCN(C(=O)N[C@H](C)c2ccc(Br)s2)[C@H](C[NH3+])C1 ZINC000418057745 563897029 /nfs/dbraw/zinc/89/70/29/563897029.db2.gz NJMIGSMUBWQBKN-OUAUKWLOSA-N 1 0 376.320 2.719 20 0 GFADRO CCn1c(CNC(=O)N2C[C@@H](C)[NH2+]C[C@H]2C)nc2cc(Br)ccc21 ZINC000418061704 563897246 /nfs/dbraw/zinc/89/72/46/563897246.db2.gz FHZTUOSFQVDUJI-VXGBXAGGSA-N 1 0 394.317 2.711 20 0 GFADRO CCC[NH2+]CCNC(=O)NCc1nc2cc(Br)ccc2n1CC ZINC000418072321 563897309 /nfs/dbraw/zinc/89/73/09/563897309.db2.gz XIOVFVVXHMJQCK-UHFFFAOYSA-N 1 0 382.306 2.618 20 0 GFADRO CCCC[C@H](C[NH3+])NC(=O)N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000418084366 563898096 /nfs/dbraw/zinc/89/80/96/563898096.db2.gz VGQJPPOFAKUKRX-OCCSQVGLSA-N 1 0 387.311 2.915 20 0 GFADRO O=C(N[C@@H]1CSc2ccc(Br)cc21)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000418090005 563898576 /nfs/dbraw/zinc/89/85/76/563898576.db2.gz BZVRMBBOGLEZLP-COPLHBTASA-N 1 0 382.327 2.847 20 0 GFADRO O=C(N[C@@H]1CSc2ccc(Br)cc21)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000418090028 563898617 /nfs/dbraw/zinc/89/86/17/563898617.db2.gz CCSCWGSHVYBVMQ-LERXQTSPSA-N 1 0 382.327 2.989 20 0 GFADRO O=C(N[C@@H]1CSc2ccc(Br)cc21)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000418092075 563898692 /nfs/dbraw/zinc/89/86/92/563898692.db2.gz FDWZCVOUBVBOEK-CZUORRHYSA-N 1 0 382.327 2.991 20 0 GFADRO C[C@H]([NH3+])c1ccc(CNC(=O)NCCCCn2cc(Br)cn2)cc1 ZINC000418111459 563899444 /nfs/dbraw/zinc/89/94/44/563899444.db2.gz XRBIENWCPWZEPG-ZDUSSCGKSA-N 1 0 394.317 2.945 20 0 GFADRO Cc1cc(Br)cc(C)c1N1CCC[C@H](NC(=O)N[C@@H](C)C[NH3+])C1 ZINC000418179975 563900855 /nfs/dbraw/zinc/90/08/55/563900855.db2.gz KFUUHEAEDUKKTN-ZFWWWQNUSA-N 1 0 383.334 2.681 20 0 GFADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)c1ccc2scc(Br)c2c1 ZINC000448952219 563903749 /nfs/dbraw/zinc/90/37/49/563903749.db2.gz DYZYNZYHNBDJAD-LBPRGKRZSA-N 1 0 382.327 2.639 20 0 GFADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)Cc2ccc(C)cc2Br)CC1 ZINC000448975985 563904416 /nfs/dbraw/zinc/90/44/16/563904416.db2.gz KROGKXHXGUGCAL-INIZCTEOSA-N 1 0 396.373 2.690 20 0 GFADRO CC[N@@H+](Cc1cc(Br)ccc1O[C@H](C)C(=O)NC)C[C@H]1CCCO1 ZINC000449017454 563905169 /nfs/dbraw/zinc/90/51/69/563905169.db2.gz HJMCIQWQGCEFGK-CZUORRHYSA-N 1 0 399.329 2.963 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[N@H+](CCCCO)C1CC1 ZINC000449034407 563905795 /nfs/dbraw/zinc/90/57/95/563905795.db2.gz JKZDSHKCJSCEIT-ZDUSSCGKSA-N 1 0 399.329 2.699 20 0 GFADRO Fc1cc(Br)cc(C[NH2+]C[C@@]2(N3CCOCC3)CCSC2)c1 ZINC000449088932 563906402 /nfs/dbraw/zinc/90/64/02/563906402.db2.gz CDWXURSOJKYFLM-INIZCTEOSA-N 1 0 389.334 2.886 20 0 GFADRO Cc1cc(Br)c(C[NH2+]CCNC(=O)c2cnccn2)cc1Cl ZINC000449110840 563906918 /nfs/dbraw/zinc/90/69/18/563906918.db2.gz HAXAHLZPWWKALO-UHFFFAOYSA-N 1 0 383.677 2.721 20 0 GFADRO C[C@@H](C[NH2+]C1CCN(CC(F)(F)F)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000449105692 563906948 /nfs/dbraw/zinc/90/69/48/563906948.db2.gz DZZREMDOIPZAPT-ZDUSSCGKSA-N 1 0 378.460 2.810 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+][C@@H]1CCC[C@]1(C)CO ZINC000449171620 563907226 /nfs/dbraw/zinc/90/72/26/563907226.db2.gz IFPWGPWXJIGWKB-BJOOFOGMSA-N 1 0 399.329 2.603 20 0 GFADRO CCN(CC)S(=O)(=O)CC[NH2+]Cc1cnc(-c2c(F)cccc2F)s1 ZINC000449140502 563907246 /nfs/dbraw/zinc/90/72/46/563907246.db2.gz CHKHYJVGQYLUFZ-UHFFFAOYSA-N 1 0 389.493 2.850 20 0 GFADRO O=C(C1CCC1)N1CCN(CC[NH2+]Cc2cccc(F)c2Br)CC1 ZINC000449151026 563907330 /nfs/dbraw/zinc/90/73/30/563907330.db2.gz VGBZBAPEMFWBAS-UHFFFAOYSA-N 1 0 398.320 2.622 20 0 GFADRO C[C@H](COc1ccc(Cl)c(Cl)c1)[NH2+]C[C@@H]1CC[C@H](C(=O)N(C)C)O1 ZINC000449200745 563907913 /nfs/dbraw/zinc/90/79/13/563907913.db2.gz FHDSGTHYOBHULQ-PVXIVEMSSA-N 1 0 375.296 2.986 20 0 GFADRO CS(=O)(=O)N[C@@H]1CCC[C@@H]1C[NH2+]Cc1cnc(-c2ccccc2F)s1 ZINC000449223958 563908133 /nfs/dbraw/zinc/90/81/33/563908133.db2.gz PQMDANAZVWCXTJ-MLGOLLRUSA-N 1 0 383.514 2.757 20 0 GFADRO Cc1cnc(C[NH2+]CCCN(C2CC2)S(=O)(=O)c2cccc(F)c2)s1 ZINC000449203903 563908370 /nfs/dbraw/zinc/90/83/70/563908370.db2.gz IPKHIPYJXGQIIP-UHFFFAOYSA-N 1 0 383.514 2.924 20 0 GFADRO Cn1nccc1CN1C[C@@H](F)C[C@H]1C[N@H+](C)Cc1cncc(Br)c1 ZINC000470801890 564177845 /nfs/dbraw/zinc/17/78/45/564177845.db2.gz HYLGENDWWYQUKZ-RDJZCZTQSA-N 1 0 396.308 2.622 20 0 GFADRO Cc1[nH]c(=O)sc1S(=O)(=O)NCC[NH2+][C@H]1CC[C@@H](CCC(C)C)C1 ZINC000449247202 564178130 /nfs/dbraw/zinc/17/81/30/564178130.db2.gz FWOACCBJUSVYEE-KGLIPLIRSA-N 1 0 375.560 2.630 20 0 GFADRO C[C@@H](CC[NH2+][C@@H](C)c1ccc(S(=O)(=O)N2CCCCC2)cc1)[S@@](C)=O ZINC000537962708 564178225 /nfs/dbraw/zinc/17/82/25/564178225.db2.gz IFZMUCZTICHNPS-CCHLGUQTSA-N 1 0 386.583 2.669 20 0 GFADRO [NH3+]C[C@@H]1c2ccccc2CCN1C(=O)COc1cccc(Br)c1 ZINC000563170858 564178484 /nfs/dbraw/zinc/17/84/84/564178484.db2.gz WEJNAWPBXWQZAN-QGZVFWFLSA-N 1 0 375.266 2.913 20 0 GFADRO COC(=O)CC[C@@H]([NH3+])C(=O)N1CCCC[C@H]1Cc1cccc(Br)c1 ZINC000563169492 564178708 /nfs/dbraw/zinc/17/87/08/564178708.db2.gz ITXPXKGLSDYYSG-JKSUJKDBSA-N 1 0 397.313 2.653 20 0 GFADRO CCS(=O)(=O)C[C@@H](C)[NH2+][C@H](C)CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000537979902 564179094 /nfs/dbraw/zinc/17/90/94/564179094.db2.gz AIZQJWFCELJNTB-VXGBXAGGSA-N 1 0 380.432 2.835 20 0 GFADRO CC(C)NS(=O)(=O)CC[NH2+][C@H]1CCCc2ccc(Br)cc21 ZINC000537989271 564179276 /nfs/dbraw/zinc/17/92/76/564179276.db2.gz AUSBSEJNQGMZPE-HNNXBMFYSA-N 1 0 375.332 2.744 20 0 GFADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+][C@@H]1CSC1(C)C ZINC000449309335 564179666 /nfs/dbraw/zinc/17/96/66/564179666.db2.gz DFIUNCWVBZLSIB-QMTHXVAHSA-N 1 0 387.343 2.946 20 0 GFADRO CN(C)S(=O)(=O)N1CCCC[C@@H]1C[NH2+]Cc1cc(Cl)sc1Cl ZINC000449331270 564180650 /nfs/dbraw/zinc/18/06/50/564180650.db2.gz XXFDSPVFXYZEIZ-LLVKDONJSA-N 1 0 386.370 2.805 20 0 GFADRO C[N@H+](CC1CC1)C[C@@H]1CCN([C@@H](C(N)=O)c2ccc(Br)cc2F)C1 ZINC000470955882 564181229 /nfs/dbraw/zinc/18/12/29/564181229.db2.gz PILYKWCCWYOZBH-SUMWQHHRSA-N 1 0 398.320 2.778 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[N@@H+]1CCC[C@@H](CO)CC1 ZINC000449345203 564181697 /nfs/dbraw/zinc/18/16/97/564181697.db2.gz UPTXZDAETXXWLP-UONOGXRCSA-N 1 0 399.329 2.557 20 0 GFADRO CSC[C@H]([NH2+][C@@H]1CCN(S(C)(=O)=O)C1)c1ccc(C(F)(F)F)cc1 ZINC000563263309 564183426 /nfs/dbraw/zinc/18/34/26/564183426.db2.gz CQKOEOBUCCXTPJ-KGLIPLIRSA-N 1 0 382.473 2.733 20 0 GFADRO COCCSc1ccc([C@@H](C)[NH2+]C[C@H]2CCCN(S(C)(=O)=O)C2)cc1 ZINC000538205430 564184161 /nfs/dbraw/zinc/18/41/61/564184161.db2.gz ZGEMMHYDJWEVTM-HZPDHXFCSA-N 1 0 386.583 2.747 20 0 GFADRO OCCC[N@@H+]1CCC[C@@H]1CNCc1cn(-c2ccc(Cl)c(Cl)c2)nn1 ZINC000449388759 564184368 /nfs/dbraw/zinc/18/43/68/564184368.db2.gz QDPLFJGDIGLSRW-OAHLLOKOSA-N 1 0 384.311 2.511 20 0 GFADRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1Cc2cc(Br)ccc2O1 ZINC000471063459 564184451 /nfs/dbraw/zinc/18/44/51/564184451.db2.gz QJLKYATWKJXWDZ-WBVHZDCISA-N 1 0 381.314 2.989 20 0 GFADRO OCCCN1CCC[C@@H]1C[NH2+]Cc1cccc(Br)c1OC(F)F ZINC000449390785 564184886 /nfs/dbraw/zinc/18/48/86/564184886.db2.gz WVDSGGLJSMOXEQ-CYBMUJFWSA-N 1 0 393.272 2.987 20 0 GFADRO Cc1cc(Cl)cc(C[N@@H+](C)CCN(C)c2ccc(S(N)(=O)=O)cc2)c1 ZINC000449430037 564186006 /nfs/dbraw/zinc/18/60/06/564186006.db2.gz YTGIBOCAHOYJSA-UHFFFAOYSA-N 1 0 381.929 2.864 20 0 GFADRO O[C@@H]1C[C@@H]([C@H]2CCCOC2)[N@H+](Cc2cccc(I)c2)C1 ZINC000449429237 564186069 /nfs/dbraw/zinc/18/60/69/564186069.db2.gz ANORVXYVUBWEOY-IMJJTQAJSA-N 1 0 387.261 2.653 20 0 GFADRO C[C@H]([NH2+][C@@H](CCO)c1cccc(C(F)(F)F)c1)C1CCS(=O)(=O)CC1 ZINC000449435586 564186909 /nfs/dbraw/zinc/18/69/09/564186909.db2.gz CPSREIGFUGLMMB-LRDDRELGSA-N 1 0 379.444 2.932 20 0 GFADRO COc1cc(C[NH2+][C@@H]2CCC[C@H]2OC)cc(I)c1OC ZINC000449524361 564190289 /nfs/dbraw/zinc/19/02/89/564190289.db2.gz PZCMXJPEEQEUSN-CHWSQXEVSA-N 1 0 391.249 2.966 20 0 GFADRO CCOC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1ncc(I)s1 ZINC000449581527 564191062 /nfs/dbraw/zinc/19/10/62/564191062.db2.gz ARHBLQLJDFSSQH-BDAKNGLRSA-N 1 0 380.251 2.569 20 0 GFADRO CCn1nccc1C[NH2+]C[C@@H](CO)Cc1ccc(OC)c(Br)c1 ZINC000449598132 564191076 /nfs/dbraw/zinc/19/10/76/564191076.db2.gz HNXDDUVQKYBCQS-AWEZNQCLSA-N 1 0 382.302 2.615 20 0 GFADRO COc1ccc([C@@H](C)C[NH2+]Cc2nn(C)cc2I)cc1 ZINC000449604074 564192204 /nfs/dbraw/zinc/19/22/04/564192204.db2.gz JDCWCQSEYJKWIV-NSHDSACASA-N 1 0 385.249 2.927 20 0 GFADRO CN(C)c1cc(NCc2cnn(CC(F)(F)F)c2)[nH+]cc1Br ZINC000449642656 564192981 /nfs/dbraw/zinc/19/29/81/564192981.db2.gz GWNCHSBFZYUVOX-UHFFFAOYSA-N 1 0 378.196 3.281 20 0 GFADRO CN(C)S(=O)(=O)CC[NH2+]Cc1ccc(-c2ccc(C(F)(F)F)cc2)o1 ZINC000563544268 564196123 /nfs/dbraw/zinc/19/61/23/564196123.db2.gz FCFLEJZZPGNJMJ-UHFFFAOYSA-N 1 0 376.400 2.946 20 0 GFADRO Cc1cc(Br)cc(C[NH2+]C[C@@H](C)S(C)(=O)=O)c1OC(F)F ZINC000538671373 564196131 /nfs/dbraw/zinc/19/61/31/564196131.db2.gz PPNJDRXFLNCTSI-SECBINFHSA-N 1 0 386.258 2.882 20 0 GFADRO Cc1cc(Br)ccc1CN1CC[NH+]([C@@H]2CCNC(=O)CC2)CC1 ZINC000449697259 564197097 /nfs/dbraw/zinc/19/70/97/564197097.db2.gz LHCZEEFHSLUANU-KRWDZBQOSA-N 1 0 380.330 2.544 20 0 GFADRO CC(=O)N[C@@H](CC(=O)N[C@H]1CC[NH2+]CC1(C)C)c1ccc(Br)cc1 ZINC000449699945 564197165 /nfs/dbraw/zinc/19/71/65/564197165.db2.gz RUFQZXUMMDGXOA-HOTGVXAUSA-N 1 0 396.329 2.521 20 0 GFADRO C[C@@H](CNC(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1)Oc1cccc(Br)c1 ZINC000563581766 564197861 /nfs/dbraw/zinc/19/78/61/564197861.db2.gz YEMOQRLQFQLCEM-AFAVFJNCSA-N 1 0 396.329 2.904 20 0 GFADRO COc1c(Cl)cc(Cl)cc1CN1CC[NH+]([C@@H]2CCNC(=O)CC2)CC1 ZINC000449704411 564198179 /nfs/dbraw/zinc/19/81/79/564198179.db2.gz VYXHIFSJZGSEOY-HNNXBMFYSA-N 1 0 386.323 2.788 20 0 GFADRO O=C(NCc1cc(Br)cc2c1OCC2)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000563584836 564198234 /nfs/dbraw/zinc/19/82/34/564198234.db2.gz PAVNIUKNYVNEAI-HEHGZKQESA-N 1 0 394.313 2.571 20 0 GFADRO C[NH+](C)C[C@@H]1CCCN1S(=O)(=O)c1cc(Cl)c(Br)cc1F ZINC000471571204 564198787 /nfs/dbraw/zinc/19/87/87/564198787.db2.gz PYDLAROMRJNGEU-VIFPVBQESA-N 1 0 399.713 2.956 20 0 GFADRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)c2ccc(Cl)c(I)c2)C1 ZINC000449721305 564198852 /nfs/dbraw/zinc/19/88/52/564198852.db2.gz UHDVMXDVMRRWSF-PSASIEDQSA-N 1 0 378.641 2.802 20 0 GFADRO O=C(NC[C@H]1CCC[NH2+]1)N1CCC(Oc2cccc(Br)c2)CC1 ZINC000563598411 564199298 /nfs/dbraw/zinc/19/92/98/564199298.db2.gz NSQQVGBZJCPBJT-CQSZACIVSA-N 1 0 382.302 2.754 20 0 GFADRO [NH3+]CC[C@H](NC(=O)C1=Cc2cc(Br)ccc2OC1)C(F)(F)F ZINC000449726081 564199535 /nfs/dbraw/zinc/19/95/35/564199535.db2.gz WLCXNVNTNNXXHY-LBPRGKRZSA-N 1 0 379.176 2.621 20 0 GFADRO CC[NH+](CC)Cc1cccc(CNC(=O)c2c(Br)cnn2C)c1 ZINC000449763517 564200881 /nfs/dbraw/zinc/20/08/81/564200881.db2.gz SGJRYJOPHFZKDU-UHFFFAOYSA-N 1 0 379.302 2.954 20 0 GFADRO CN(C)C(=O)CC[NH+]1CCN([C@H]2CCCc3ccc(Br)cc32)CC1 ZINC000538782275 564201249 /nfs/dbraw/zinc/20/12/49/564201249.db2.gz DCIYEZJBNKZZOG-SFHVURJKSA-N 1 0 394.357 2.922 20 0 GFADRO CC(C)N(Cc1cccc(Br)c1)C(=O)NCCOCC[NH+](C)C ZINC000471651056 564201285 /nfs/dbraw/zinc/20/12/85/564201285.db2.gz ZLVKKZFEZDPXND-UHFFFAOYSA-N 1 0 386.334 2.947 20 0 GFADRO CCC[N@H+](C)CC(=O)NCc1ccc(I)c(Cl)c1 ZINC000506350853 564201787 /nfs/dbraw/zinc/20/17/87/564201787.db2.gz IQCIIUYFVSUJLC-UHFFFAOYSA-N 1 0 380.657 2.903 20 0 GFADRO CN(C)C(=O)CC[NH+]1CCN(c2ccnc3cc(Br)ccc32)CC1 ZINC000471709533 564202159 /nfs/dbraw/zinc/20/21/59/564202159.db2.gz QLZWEWCMXIHXTE-UHFFFAOYSA-N 1 0 391.313 2.598 20 0 GFADRO CC[NH+](CC)CC[C@@H](CO)NC(=O)CCc1cc(F)ccc1Br ZINC000538821011 564202396 /nfs/dbraw/zinc/20/23/96/564202396.db2.gz PLYDDXUEHSDQQR-HNNXBMFYSA-N 1 0 389.309 2.730 20 0 GFADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000449840514 564206013 /nfs/dbraw/zinc/20/60/13/564206013.db2.gz HHRBMIUMSQBSGG-IXDOHACOSA-N 1 0 381.314 2.780 20 0 GFADRO C[C@@H]1c2cc(Cl)c(Cl)cc2CCN1C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000538977406 564207710 /nfs/dbraw/zinc/20/77/10/564207710.db2.gz RLYZWOHCHVPXRL-OCCSQVGLSA-N 1 0 385.339 2.868 20 0 GFADRO O=C(CNC(=O)c1ccc(Cl)c(Cl)c1)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000563812210 564207974 /nfs/dbraw/zinc/20/79/74/564207974.db2.gz YJLDTTFNGOGRTJ-UONOGXRCSA-N 1 0 384.307 2.571 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)c2ccc(I)cc2F)CC[N@@H+]1C ZINC000449939313 564209886 /nfs/dbraw/zinc/20/98/86/564209886.db2.gz IQNOHKSTCWZSGH-MWLCHTKSSA-N 1 0 376.213 2.643 20 0 GFADRO COc1ccc(Br)cc1C(=O)CCC(=O)N[C@@H](CC[NH3+])C(F)F ZINC000563885556 564211446 /nfs/dbraw/zinc/21/14/46/564211446.db2.gz ADTOPDGQLWARGR-NSHDSACASA-N 1 0 393.228 2.519 20 0 GFADRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)Cc1cccc(I)c1 ZINC000472054439 564211678 /nfs/dbraw/zinc/21/16/78/564211678.db2.gz UDBKYFZHMUHXEL-AWEZNQCLSA-N 1 0 386.277 2.634 20 0 GFADRO CC[NH+](CC)[C@H]1CCN(C(=O)c2ccc(I)cc2F)C1 ZINC000449987173 564212414 /nfs/dbraw/zinc/21/24/14/564212414.db2.gz IZKQWNLUYVWYTJ-LBPRGKRZSA-N 1 0 390.240 2.987 20 0 GFADRO C[C@H]([NH2+]C[C@H](c1ccc(Cl)cc1)N(C)C)c1cccc(S(N)(=O)=O)c1 ZINC000539214926 564212935 /nfs/dbraw/zinc/21/29/35/564212935.db2.gz CYUJPDVKVQMJJZ-SCLBCKFNSA-N 1 0 381.929 2.941 20 0 GFADRO C[C@@H]1CC[N@H+](C)CCN1C(=O)c1c(F)cccc1I ZINC000472090994 564213085 /nfs/dbraw/zinc/21/30/85/564213085.db2.gz TZZCORZJMFSCTE-SNVBAGLBSA-N 1 0 376.213 2.597 20 0 GFADRO OCC[C@H]([NH2+]C[C@@H](O)COc1cccc(Br)c1)c1ccccc1 ZINC000539229696 564214131 /nfs/dbraw/zinc/21/41/31/564214131.db2.gz LZFZVEFXLGHYNO-AEFFLSMTSA-N 1 0 380.282 2.902 20 0 GFADRO CC[C@@H]1C[N@H+](C)CCN1Cc1nc(Cc2cccc(Br)c2)no1 ZINC000563953710 564214554 /nfs/dbraw/zinc/21/45/54/564214554.db2.gz REZYMHUAYYFFDL-OAHLLOKOSA-N 1 0 379.302 2.949 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)CCC[N@@H+]1CCCNC(=O)[C@@H]1C ZINC000472153544 564214815 /nfs/dbraw/zinc/21/48/15/564214815.db2.gz IZXROUVORHNHRO-AWEZNQCLSA-N 1 0 396.329 2.995 20 0 GFADRO O=C(NCCOC(F)(F)F)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000472194263 564215788 /nfs/dbraw/zinc/21/57/88/564215788.db2.gz NGPTUHGAGDJNPT-UHFFFAOYSA-N 1 0 377.329 2.627 20 0 GFADRO O=C(NCCCCn1cc(Br)cn1)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000472236548 564217006 /nfs/dbraw/zinc/21/70/06/564217006.db2.gz DDTSKOQUKZOSMO-MRXNPFEDSA-N 1 0 398.349 2.742 20 0 GFADRO C[C@@H](NC(=O)N1CC[N@@H+](C2CCC2)C[C@H](C)C1)c1ncc(Br)cn1 ZINC000564053603 564217502 /nfs/dbraw/zinc/21/75/02/564217502.db2.gz FOPQFPAGLOMKNR-QWHCGFSZSA-N 1 0 396.333 2.816 20 0 GFADRO CC[NH+](CC)CCO[C@@H]1CCN(CC(=O)Nc2ccc(Br)cc2)C1 ZINC000472262236 564218059 /nfs/dbraw/zinc/21/80/59/564218059.db2.gz LULKHBWZKDMJIP-QGZVFWFLSA-N 1 0 398.345 2.820 20 0 GFADRO CC[N@@H+]1C[C@@H](C)N(C(=O)NCCCCn2cc(Br)cn2)C[C@@H]1C ZINC000472306162 564219873 /nfs/dbraw/zinc/21/98/73/564219873.db2.gz PMSCPEHYGQWVHW-UONOGXRCSA-N 1 0 386.338 2.550 20 0 GFADRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]Cc3cc4c(cc3Br)OCO4)[C@@H]2C1 ZINC000564121160 564220963 /nfs/dbraw/zinc/22/09/63/564220963.db2.gz YOBBDTADENRKHE-BJJXKVORSA-N 1 0 395.297 2.914 20 0 GFADRO CS[C@@H]1CN(C[C@@H](O)COc2cc(Cl)ccc2Cl)C[C@@H]1[NH+](C)C ZINC000539494074 564221182 /nfs/dbraw/zinc/22/11/82/564221182.db2.gz XQIWTQOOEZLPNA-IVMMDQJWSA-N 1 0 379.353 2.711 20 0 GFADRO CC[C@H]([NH2+]CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1)C(C)(C)C ZINC000539491637 564221195 /nfs/dbraw/zinc/22/11/95/564221195.db2.gz UYPJVZQCGKMNOU-HNNXBMFYSA-N 1 0 389.949 2.943 20 0 GFADRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1c(Cl)cc(F)cc1Br ZINC000450233136 564222779 /nfs/dbraw/zinc/22/27/79/564222779.db2.gz NRSWNPYQPCNUBW-LLVKDONJSA-N 1 0 393.684 2.818 20 0 GFADRO C[C@H]([NH2+][C@@H]1CSC[C@H]1C)C(=O)Nc1cccc(I)c1 ZINC000507248226 564223478 /nfs/dbraw/zinc/22/34/78/564223478.db2.gz TYXPOVZHPYTWBE-GBIKHYSHSA-N 1 0 390.290 2.959 20 0 GFADRO C[NH+](C)CCOCCNC(=O)Cc1csc2ccc(Br)cc12 ZINC000472481249 564223488 /nfs/dbraw/zinc/22/34/88/564223488.db2.gz TZANHVYWZCDZMG-UHFFFAOYSA-N 1 0 385.327 2.901 20 0 GFADRO C[NH+](C)CCOc1cc(CNC(=O)c2ccsc2Br)ccn1 ZINC000450303593 564225901 /nfs/dbraw/zinc/22/59/01/564225901.db2.gz NTIQKGVGEJGJII-UHFFFAOYSA-N 1 0 384.299 2.776 20 0 GFADRO CCN1CCN(C(=O)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)[C@H](C)C1 ZINC000507321990 564225927 /nfs/dbraw/zinc/22/59/27/564225927.db2.gz BOFSAIQFDWKATN-SNVBAGLBSA-N 1 0 377.794 2.850 20 0 GFADRO CN1CCC[C@H]([NH+]2CCC(C(=O)Nc3cccc(Br)c3)CC2)C1=O ZINC000539809344 564228566 /nfs/dbraw/zinc/22/85/66/564228566.db2.gz FCOJTUNYPZZNGP-INIZCTEOSA-N 1 0 394.313 2.720 20 0 GFADRO C[C@@H]1CC[C@@H]([N@H+](CCO)CC(=O)N(C)Cc2ccccc2Br)C1 ZINC000564390290 564231390 /nfs/dbraw/zinc/23/13/90/564231390.db2.gz LFSZKVOSLQUTGD-GDBMZVCRSA-N 1 0 383.330 2.890 20 0 GFADRO CC[NH+](CC)CCS(=O)(=O)N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 ZINC000564400514 564231426 /nfs/dbraw/zinc/23/14/26/564231426.db2.gz ODJLLKTZVSTFAZ-INIZCTEOSA-N 1 0 378.897 2.524 20 0 GFADRO C[C@@H](OC[C@H](O)C[NH2+]CC1(S(C)(=O)=O)CCCC1)c1ccc(Cl)cc1 ZINC000564445781 564234787 /nfs/dbraw/zinc/23/47/87/564234787.db2.gz IOMUXQSWQIIZPZ-RHSMWYFYSA-N 1 0 389.945 2.726 20 0 GFADRO Cc1cc(Br)cc(NC(=O)C(=O)N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)c1 ZINC000507651722 564236907 /nfs/dbraw/zinc/23/69/07/564236907.db2.gz XPWUYAPFEJZHGT-XJKSGUPXSA-N 1 0 394.313 2.781 20 0 GFADRO C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)c1ccc(-n2cc(Br)cn2)cc1 ZINC000540017669 564236923 /nfs/dbraw/zinc/23/69/23/564236923.db2.gz BZBZXJRTOVHXJB-QWHCGFSZSA-N 1 0 377.286 2.799 20 0 GFADRO C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)Cc1csc(NC(=O)c2cccs2)n1 ZINC000540012247 564237089 /nfs/dbraw/zinc/23/70/89/564237089.db2.gz JIOKUOBWYMLELF-NWDGAFQWSA-N 1 0 378.523 2.550 20 0 GFADRO Cc1cc(NC(=O)C(=O)N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)ccc1Br ZINC000507661997 564237887 /nfs/dbraw/zinc/23/78/87/564237887.db2.gz VSJDQUUSMWTCPU-ZFWWWQNUSA-N 1 0 394.313 2.781 20 0 GFADRO C[NH+](C)CCn1nnnc1SCc1c(F)ccc(Br)c1F ZINC000507678780 564238652 /nfs/dbraw/zinc/23/86/52/564238652.db2.gz QLKLEHAJYCVGKK-UHFFFAOYSA-N 1 0 378.246 2.568 20 0 GFADRO COCCCOc1ccc(Cl)cc1S(=O)(=O)N1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000507729152 564241342 /nfs/dbraw/zinc/24/13/42/564241342.db2.gz ZIVANWICPZDXDQ-DZGCQCFKSA-N 1 0 390.933 2.646 20 0 GFADRO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)Nc2ccccc2Br)C1 ZINC000473327753 564244359 /nfs/dbraw/zinc/24/43/59/564244359.db2.gz QNHTZBUPLFGBPK-CQSZACIVSA-N 1 0 394.313 2.578 20 0 GFADRO O=C([C@H]1C[C@]12CCc1cc(Br)ccc12)N1CC[NH+]2CCC1CC2 ZINC000507873713 564245741 /nfs/dbraw/zinc/24/57/41/564245741.db2.gz IGJPBXAKGZMBTF-MJGOQNOKSA-N 1 0 375.310 2.960 20 0 GFADRO CC[C@H]([NH2+]CC(=O)Nc1ccccc1Cl)c1cccc(S(N)(=O)=O)c1 ZINC000540464388 564248551 /nfs/dbraw/zinc/24/85/51/564248551.db2.gz SIOXJZLFRUNPLX-HNNXBMFYSA-N 1 0 381.885 2.667 20 0 GFADRO CN(CCC[NH+](C)C)C(=O)[C@H](c1cc(Cl)cc(Cl)c1)N1CCOCC1 ZINC000540516047 564250362 /nfs/dbraw/zinc/25/03/62/564250362.db2.gz UEWUFMOTTAWMAP-KRWDZBQOSA-N 1 0 388.339 2.777 20 0 GFADRO Cc1cc(NC(=O)C[NH2+]C[C@H]2CCCO2)nn1-c1ccc(Cl)cc1Cl ZINC000564838495 564251482 /nfs/dbraw/zinc/25/14/82/564251482.db2.gz NKZCTLOBABXHTF-CYBMUJFWSA-N 1 0 383.279 3.195 20 0 GFADRO C[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000564900137 564255498 /nfs/dbraw/zinc/25/54/98/564255498.db2.gz UZQKJYRMQFLNCW-FZMZJTMJSA-N 1 0 382.295 2.698 20 0 GFADRO C[NH+](C)[C@H](CNS(=O)(=O)c1ccc(C(F)(F)F)nc1)C1CCCCC1 ZINC000473914493 564256140 /nfs/dbraw/zinc/25/61/40/564256140.db2.gz WSUPLUQREWEUHY-CQSZACIVSA-N 1 0 379.448 2.889 20 0 GFADRO C[NH+](C)[C@H](CNS(=O)(=O)c1ccc(Br)cn1)C1CCCCC1 ZINC000473900906 564256256 /nfs/dbraw/zinc/25/62/56/564256256.db2.gz DTFNQEIRJVPDRP-CQSZACIVSA-N 1 0 390.347 2.633 20 0 GFADRO C[NH+](C)CC(C)(C)CNS(=O)(=O)Cc1ccc(Br)c(F)c1 ZINC000450972679 564257883 /nfs/dbraw/zinc/25/78/83/564257883.db2.gz QVYKWPYLNOSDFY-UHFFFAOYSA-N 1 0 381.311 2.595 20 0 GFADRO C[C@H](NC(=O)[C@](C)([NH3+])c1ccc(Br)cc1)[C@@H](O)Cc1ccccc1 ZINC000564934362 564258199 /nfs/dbraw/zinc/25/81/99/564258199.db2.gz KRAGEMGFRPEEJG-SOVGHPHASA-N 1 0 391.309 2.731 20 0 GFADRO C[C@H]([NH3+])C[C@H](C)NC(=O)N[C@@H](C)c1cc2c(cc1Br)OCCO2 ZINC000564938898 564258298 /nfs/dbraw/zinc/25/82/98/564258298.db2.gz VWUPLMOFIVRJJD-DCAQKATOSA-N 1 0 386.290 2.706 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCN(C(=O)[C@H](c2ccc(Br)cc2)N2CCCC2)C1 ZINC000564951369 564258861 /nfs/dbraw/zinc/25/88/61/564258861.db2.gz HEEWSWYSVSSVFG-QRTARXTBSA-N 1 0 380.330 2.782 20 0 GFADRO Cc1ccc(Br)cc1C[N@H+]1CCC[C@H](CN(C)S(C)(=O)=O)C1 ZINC000450976473 564258798 /nfs/dbraw/zinc/25/87/98/564258798.db2.gz QPNIWJRZYQJALV-CQSZACIVSA-N 1 0 389.359 2.861 20 0 GFADRO [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)c1cc(F)ccc1I ZINC000564953810 564258981 /nfs/dbraw/zinc/25/89/81/564258981.db2.gz HDVIABXQUBHQQB-FOCQTFQBSA-N 1 0 388.224 2.676 20 0 GFADRO Brc1ccc(C[NH2+][C@H]2CCn3ccnc3C2)c(N2CCOCC2)c1 ZINC000473988142 564260553 /nfs/dbraw/zinc/26/05/53/564260553.db2.gz RFMCOQJQOGTSSE-INIZCTEOSA-N 1 0 391.313 2.587 20 0 GFADRO CC(=O)N[C@]1(c2nc(Cc3cccc(Br)c3)cs2)CC[NH2+]C1 ZINC000564981822 564260808 /nfs/dbraw/zinc/26/08/08/564260808.db2.gz XRFLINLGQBRIBS-MRXNPFEDSA-N 1 0 380.311 2.821 20 0 GFADRO C[C@@H](CNC(=O)N(C)CC[N@H+](C)C1CC1)Oc1ccc(Br)cc1 ZINC000474026219 564261560 /nfs/dbraw/zinc/26/15/60/564261560.db2.gz BYOOTSLFGLLLLN-ZDUSSCGKSA-N 1 0 384.318 2.952 20 0 GFADRO COc1ccc(CC[NH2+][C@@H](C)C2CCC(F)(F)CC2)cc1S(N)(=O)=O ZINC000474032920 564262532 /nfs/dbraw/zinc/26/25/32/564262532.db2.gz PNFPMYPIHHFNTF-LBPRGKRZSA-N 1 0 376.469 2.689 20 0 GFADRO Cc1c(Br)cccc1S(=O)(=O)NCC[N@@H+](C)C1CCCC1 ZINC000474087933 564264199 /nfs/dbraw/zinc/26/41/99/564264199.db2.gz IQLFNUAHANYUMC-UHFFFAOYSA-N 1 0 375.332 2.910 20 0 GFADRO COc1ccc(C(=O)NCC2([NH+](C)C)CCC2)cc1I ZINC000474108740 564265403 /nfs/dbraw/zinc/26/54/03/564265403.db2.gz ZXUMISSLPBRUCD-UHFFFAOYSA-N 1 0 388.249 2.514 20 0 GFADRO C[C@H]1CCC[N@@H+](C(C)(C)CNS(=O)(=O)c2ccc(C(F)(F)F)nc2)C1 ZINC000541108216 564266922 /nfs/dbraw/zinc/26/69/22/564266922.db2.gz VCLCROPICJRVNT-LBPRGKRZSA-N 1 0 379.448 2.889 20 0 GFADRO COc1cc(Br)ccc1CCC(=O)N1CC[NH+](CC2CC2)CC1 ZINC000541150482 564267509 /nfs/dbraw/zinc/26/75/09/564267509.db2.gz UNRKOGGJMWGADE-UHFFFAOYSA-N 1 0 381.314 2.945 20 0 GFADRO COc1ccc(-c2nnc(N3CC[NH+](C4CC4)CC3)n2C)cc1Br ZINC000508592631 564267774 /nfs/dbraw/zinc/26/77/74/564267774.db2.gz DPCGYPNWRNXALH-UHFFFAOYSA-N 1 0 392.301 2.538 20 0 GFADRO Cn1ccnc1Sc1ncc(C(=O)NC2(C[NH+](C)C)CCC2)cc1Cl ZINC000508651975 564269448 /nfs/dbraw/zinc/26/94/48/564269448.db2.gz ORMQUJVOGGMNCF-UHFFFAOYSA-N 1 0 379.917 2.834 20 0 GFADRO C[C@@H](Cc1c[nH]cn1)C(=O)N1CCN(c2cccc(Br)c2)CC1 ZINC000565205388 564271135 /nfs/dbraw/zinc/27/11/35/564271135.db2.gz RRCGWCIMFJGHRL-ZDUSSCGKSA-N 1 0 377.286 2.700 20 0 GFADRO O=C(NCCNc1ncc(Cl)cc1Cl)c1ccc2c(c1)CC[NH2+]CC2 ZINC000474301888 564273471 /nfs/dbraw/zinc/27/34/71/564273471.db2.gz JYAMOTJFFCKTNG-UHFFFAOYSA-N 1 0 379.291 2.919 20 0 GFADRO C[N@@H+](CC(=O)NCC(=O)Nc1ccccc1Br)C[C@@H]1CC=CCC1 ZINC000541318840 564274714 /nfs/dbraw/zinc/27/47/14/564274714.db2.gz RXRAXUZYOKOVSA-CQSZACIVSA-N 1 0 394.313 2.792 20 0 GFADRO C[NH+](C)[C@H](CNS(=O)(=O)CCc1cccc(Cl)c1)Cc1ccccc1 ZINC000508914655 564275898 /nfs/dbraw/zinc/27/58/98/564275898.db2.gz KKVPJQFXFSTMEK-IBGZPJMESA-N 1 0 380.941 2.975 20 0 GFADRO CCCN(CC[NH+](CC)CC)C(=O)CNC(=O)c1ccc(Br)cc1 ZINC000474420685 564278050 /nfs/dbraw/zinc/27/80/50/564278050.db2.gz FMYWEGPJMVWANS-UHFFFAOYSA-N 1 0 398.345 2.759 20 0 GFADRO Cc1sc(NC(=O)CN(C)C(C)(C)C(N)=O)nc1-c1ccc(Cl)cc1 ZINC000451137488 564278833 /nfs/dbraw/zinc/27/88/33/564278833.db2.gz UZSQJVMRCQRPAZ-UHFFFAOYSA-N 1 0 380.901 2.906 20 0 GFADRO O=S(=O)(c1sccc1Cl)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000451135806 564279121 /nfs/dbraw/zinc/27/91/21/564279121.db2.gz NRWAMZMYTPCXMG-UHFFFAOYSA-N 1 0 378.947 2.525 20 0 GFADRO O=S1(=O)CC[C@@H](C[NH2+]Cc2ccc(Br)cc2C(F)(F)F)C1 ZINC000474458142 564279557 /nfs/dbraw/zinc/27/95/57/564279557.db2.gz HYUGEHJGWULTPL-VIFPVBQESA-N 1 0 386.233 2.992 20 0 GFADRO CN(CC[NH2+]C[C@H](O)COc1cc(F)cc(Br)c1)C1CCCC1 ZINC000565416849 564279871 /nfs/dbraw/zinc/27/98/71/564279871.db2.gz ILCDTLSLZAJTHC-INIZCTEOSA-N 1 0 389.309 2.792 20 0 GFADRO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)Cc1ccc(Br)c(F)c1 ZINC000451186594 564284030 /nfs/dbraw/zinc/28/40/30/564284030.db2.gz DWHGFIKUIXAQIX-WCQYABFASA-N 1 0 391.306 2.587 20 0 GFADRO COc1cc(C(F)(F)F)cc(S(=O)(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)c1 ZINC000451194063 564285406 /nfs/dbraw/zinc/28/54/06/564285406.db2.gz RHYFXESAHQOEDD-YPMHNXCESA-N 1 0 378.416 2.571 20 0 GFADRO C[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+]CCS(=O)(=O)N1CCSCC1 ZINC000474717571 564286614 /nfs/dbraw/zinc/28/66/14/564286614.db2.gz YBMSHAWNXJINAF-KBPBESRZSA-N 1 0 376.975 2.800 20 0 GFADRO CCCC[N@H+](C)CCNC(=O)c1cc(I)ccc1F ZINC000474720041 564286626 /nfs/dbraw/zinc/28/66/26/564286626.db2.gz PROMYMVYEZFDHH-UHFFFAOYSA-N 1 0 378.229 2.892 20 0 GFADRO CC[C@H](C)[C@@H](C[NH2+]CCS(=O)(=O)c1cccc(Br)c1)OC ZINC000565594699 564288063 /nfs/dbraw/zinc/28/80/63/564288063.db2.gz UMWHBOZPRYEHDG-SWLSCSKDSA-N 1 0 378.332 2.874 20 0 GFADRO C[NH+]1CCC(CNC(=O)c2cc(I)ccc2F)CC1 ZINC000474763182 564288384 /nfs/dbraw/zinc/28/83/84/564288384.db2.gz IQAJVAMNIOGIHR-UHFFFAOYSA-N 1 0 376.213 2.502 20 0 GFADRO CC(C)(COc1ncccc1Br)NC(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000541816186 564289925 /nfs/dbraw/zinc/28/99/25/564289925.db2.gz GJRRKQVASQRGMN-LBPRGKRZSA-N 1 0 397.317 2.537 20 0 GFADRO C[C@@H]([NH2+][C@H]1CCOC1(C)C)C(=O)Nc1ccc(I)cc1 ZINC000451248069 564290919 /nfs/dbraw/zinc/29/09/19/564290919.db2.gz YYQMQIHADWIOKS-MFKMUULPSA-N 1 0 388.249 2.775 20 0 GFADRO C[C@@H](NC(=O)NCC(C)(C)C[NH+]1CCCC1)c1ncc(Br)cn1 ZINC000565694321 564292119 /nfs/dbraw/zinc/29/21/19/564292119.db2.gz WQJYPWSAGKDOIL-GFCCVEGCSA-N 1 0 384.322 2.721 20 0 GFADRO COC[C@@H](O)CC[NH2+][C@H](C)CCc1ccc(I)cc1 ZINC000474892584 564292989 /nfs/dbraw/zinc/29/29/89/564292989.db2.gz KFUFJFBABXRWFY-DOMZBBRYSA-N 1 0 377.266 2.599 20 0 GFADRO C[C@H](O)C[NH+]1CCN(Cc2ccc(Br)cc2C(F)(F)F)CC1 ZINC000474929237 564293532 /nfs/dbraw/zinc/29/35/32/564293532.db2.gz BJLRJHDBPSEXQJ-NSHDSACASA-N 1 0 381.236 2.966 20 0 GFADRO Cc1cc(Br)cn2c(C[NH2+][C@H]3CC(=O)N4CCCC[C@H]34)cnc12 ZINC000509402584 564296666 /nfs/dbraw/zinc/29/66/66/564296666.db2.gz LKGJRKQNKOBEBM-LSDHHAIUSA-N 1 0 377.286 2.648 20 0 GFADRO COC[C@H](C)OC[C@H](O)C[NH+]1CCC(c2nc(C(F)(F)F)cs2)CC1 ZINC000451292116 564296923 /nfs/dbraw/zinc/29/69/23/564296923.db2.gz BZQVLZLORMPENO-WCQYABFASA-N 1 0 382.448 2.754 20 0 GFADRO Cc1nc(CN2C[C@@H](F)C[C@H]2C[NH2+]Cc2ccc([S@@](C)=O)cc2)cs1 ZINC000475042545 564298323 /nfs/dbraw/zinc/29/83/23/564298323.db2.gz MYLLSBAYFAIQDQ-LMZHUWQESA-N 1 0 381.542 2.891 20 0 GFADRO C[C@H](C[NH+]1CCC(CNS(C)(=O)=O)CC1)c1cccc(Br)c1 ZINC000565897454 564300775 /nfs/dbraw/zinc/30/07/75/564300775.db2.gz CKTBKYGLAORSJH-CYBMUJFWSA-N 1 0 389.359 2.814 20 0 GFADRO O=C(CCNC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1)Nc1cc(Cl)cc(Cl)c1 ZINC000565883058 564300849 /nfs/dbraw/zinc/30/08/49/564300849.db2.gz LRKVWHSVUZGNIN-VXGBXAGGSA-N 1 0 385.295 2.573 20 0 GFADRO O=C(CCNC(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1)Nc1cc(Cl)cc(Cl)c1 ZINC000565883057 564300899 /nfs/dbraw/zinc/30/08/99/564300899.db2.gz LRKVWHSVUZGNIN-RYUDHWBXSA-N 1 0 385.295 2.573 20 0 GFADRO Cc1cc(C)c(C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)cc1I ZINC000475183247 564302314 /nfs/dbraw/zinc/30/23/14/564302314.db2.gz NOVKUFHDQXUXKP-GFCCVEGCSA-N 1 0 384.261 2.875 20 0 GFADRO O[C@@H](C[NH2+][C@@H]1CCCCC[C@H]1O)COc1cc(F)cc(Br)c1 ZINC000565950818 564303496 /nfs/dbraw/zinc/30/34/96/564303496.db2.gz KNXZBLZTABVLCZ-NUEKZKHPSA-N 1 0 376.266 2.611 20 0 GFADRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)Nc1cc(Br)c(F)cc1C ZINC000475282178 564304531 /nfs/dbraw/zinc/30/45/31/564304531.db2.gz VDBJTOMCIHIBAL-LLVKDONJSA-N 1 0 388.281 2.682 20 0 GFADRO O=C(NCC[NH2+]C[C@H](O)COc1ccc(Cl)cc1)c1ccccc1Cl ZINC000566106355 564309600 /nfs/dbraw/zinc/30/96/00/564309600.db2.gz NHMUGQKBJFXRHB-AWEZNQCLSA-N 1 0 383.275 2.753 20 0 GFADRO C[C@H](c1ccccc1Br)N(C)C(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000566095301 564309668 /nfs/dbraw/zinc/30/96/68/564309668.db2.gz VYEICWCDDAPEMT-CHWSQXEVSA-N 1 0 392.301 2.798 20 0 GFADRO COC[C@H](CO)[NH2+]Cc1cn(-c2ccc(Br)cc2)nc1C(C)C ZINC000475507716 564310863 /nfs/dbraw/zinc/31/08/63/564310863.db2.gz ADSFJUJZNBXXLF-HNNXBMFYSA-N 1 0 382.302 2.855 20 0 GFADRO CC[NH+]1CCC(N(C)C(=O)c2c(C)nc3ccc(Br)cn32)CC1 ZINC000475535654 564311438 /nfs/dbraw/zinc/31/14/38/564311438.db2.gz YTTWUBRCXITNQI-UHFFFAOYSA-N 1 0 379.302 2.962 20 0 GFADRO Cn1cc2c(n1)CCC[C@@H]2[NH2+]C[C@H](O)COc1ccc(Br)cc1 ZINC000566129143 564311755 /nfs/dbraw/zinc/31/17/55/564311755.db2.gz YGGHCXFIHBCXDJ-BBRMVZONSA-N 1 0 380.286 2.590 20 0 GFADRO CC[C@H](O)C[NH+]1CCN(c2cc(C(F)(F)F)c(Br)cn2)CC1 ZINC000566149528 564312967 /nfs/dbraw/zinc/31/29/67/564312967.db2.gz OUXNDIAORGHAQO-JTQLQIEISA-N 1 0 382.224 2.756 20 0 GFADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(Cl)c(Br)c1 ZINC000509802788 564313885 /nfs/dbraw/zinc/31/38/85/564313885.db2.gz IVZLVTHOJJUOTF-LBPRGKRZSA-N 1 0 375.694 2.943 20 0 GFADRO CN(Cc1ccccc1Br)C(=O)C[NH2+][C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000451466239 564316355 /nfs/dbraw/zinc/31/63/55/564316355.db2.gz RBFZBJICCDOGLS-KBRIMQKVSA-N 1 0 381.314 2.811 20 0 GFADRO CCC[N@H+](CC)CCNS(=O)(=O)c1c(Cl)cc(Cl)cc1C(=O)OC ZINC000509884885 564316636 /nfs/dbraw/zinc/31/66/36/564316636.db2.gz KRMCUKSDKWHTEL-UHFFFAOYSA-N 1 0 397.324 2.790 20 0 GFADRO C[C@@H]1C[C@@H](C)[C@@H](C)[N@H+](CC(=O)NCC(=O)Nc2ccccc2Br)C1 ZINC000475733523 564317116 /nfs/dbraw/zinc/31/71/16/564317116.db2.gz UGPWELQLGSOMRK-MGPQQGTHSA-N 1 0 396.329 2.870 20 0 GFADRO CCOCCOc1ccc(Br)cc1CN1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000566230180 564318118 /nfs/dbraw/zinc/31/81/18/564318118.db2.gz PHNFYAWGJLZRQS-GOEBONIOSA-N 1 0 383.330 2.906 20 0 GFADRO CN(Cc1ccccc1Br)C(=O)C[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000451499147 564319822 /nfs/dbraw/zinc/31/98/22/564319822.db2.gz MHHBSGGGOKRZMO-BMGDILEWSA-N 1 0 393.325 2.955 20 0 GFADRO O=C1COc2ccc(C[NH2+]CCOc3cccc(Br)c3)cc2N1 ZINC000510094016 564325524 /nfs/dbraw/zinc/32/55/24/564325524.db2.gz OOCFJDIVEKJPDF-UHFFFAOYSA-N 1 0 377.238 2.949 20 0 GFADRO COCC[NH+]1CCC(NC(=O)c2cn(C)nc2-c2ccc(Cl)s2)CC1 ZINC000476071268 564327171 /nfs/dbraw/zinc/32/71/71/564327171.db2.gz HAUJLUFTZZHDBZ-UHFFFAOYSA-N 1 0 382.917 2.643 20 0 GFADRO O=C(CC[NH+]1CCN(Cc2ncc[nH]2)CC1)Nc1cc(Cl)ccc1Cl ZINC000510248337 564328183 /nfs/dbraw/zinc/32/81/83/564328183.db2.gz HKPZMEXWRICHDJ-UHFFFAOYSA-N 1 0 382.295 2.863 20 0 GFADRO COc1ccc(CNC(=O)C[NH2+][C@H](C)c2cncc(Br)c2)cc1 ZINC000566500737 564329318 /nfs/dbraw/zinc/32/93/18/564329318.db2.gz QLMGCAFFXYHYIR-GFCCVEGCSA-N 1 0 378.270 2.820 20 0 GFADRO CC[C@@H](C)[NH2+][C@H](CNS(=O)(=O)c1ccsc1C(=O)OC)c1ccco1 ZINC000510371538 564330879 /nfs/dbraw/zinc/33/08/79/564330879.db2.gz BJWRBINFNFEENH-VXGBXAGGSA-N 1 0 386.495 2.535 20 0 GFADRO C[C@]1(C(=O)N2CCN(Cc3ccc(Br)s3)CC2)CCCC[NH2+]1 ZINC000510475848 564334916 /nfs/dbraw/zinc/33/49/16/564334916.db2.gz VHPMZQVWLNYFHA-MRXNPFEDSA-N 1 0 386.359 2.687 20 0 GFADRO CS[C@@H]1CN(C(=O)c2cn(C)nc2-c2ccc(Cl)s2)C[C@@H]1[NH+](C)C ZINC000476332962 564335057 /nfs/dbraw/zinc/33/50/57/564335057.db2.gz LFPKBIABTQELTG-WCQYABFASA-N 1 0 384.958 2.920 20 0 GFADRO [NH3+]CCC1CCN(C(=O)C(=O)Nc2ccc(Cl)c(Br)c2)CC1 ZINC000566625878 564335478 /nfs/dbraw/zinc/33/54/78/564335478.db2.gz MNVKVQYCYTYOPH-UHFFFAOYSA-N 1 0 388.693 2.628 20 0 GFADRO C[C@@H]1C[NH2+]C[C@H]1C(=O)NCCOc1ccc2cc(Br)ccc2c1 ZINC000566659342 564337391 /nfs/dbraw/zinc/33/73/91/564337391.db2.gz GUTWDVVXFCMDIT-SJKOYZFVSA-N 1 0 377.282 2.953 20 0 GFADRO O=C(N[C@H]1COc2c1ccc(Cl)c2Cl)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000566672584 564337510 /nfs/dbraw/zinc/33/75/10/564337510.db2.gz LHEUGERNKUGBMW-RISCZKNCSA-N 1 0 381.263 2.978 20 0 GFADRO CN(CCC[N@H+](C)Cc1ccco1)S(=O)(=O)c1ccc(F)c(F)c1F ZINC000510657106 564342180 /nfs/dbraw/zinc/34/21/80/564342180.db2.gz JIYGETMHNZATMJ-UHFFFAOYSA-N 1 0 376.400 2.840 20 0 GFADRO O[C@@H](COc1ccc(Br)cc1)C[N@@H+]1CC[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC000451718277 564343008 /nfs/dbraw/zinc/34/30/08/564343008.db2.gz WFJQYKGLVJANPR-MUIFIZLQSA-N 1 0 384.314 2.672 20 0 GFADRO Cc1ccsc1[C@H](CO)[NH2+]C[C@@H](O)COc1cccc(Br)c1 ZINC000566773652 564343038 /nfs/dbraw/zinc/34/30/38/564343038.db2.gz QOZPRLBSLULMJK-HIFRSBDPSA-N 1 0 386.311 2.882 20 0 GFADRO O=C(N[C@H]1CCOc2c(Br)cccc21)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000566786292 564343301 /nfs/dbraw/zinc/34/33/01/564343301.db2.gz CKBVILOGLPJUOJ-DOMZBBRYSA-N 1 0 380.286 2.809 20 0 GFADRO CC[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2cccc(Br)c2F)C1 ZINC000543394054 564348694 /nfs/dbraw/zinc/34/86/94/564348694.db2.gz NMWAFTDBEREBSZ-NSHDSACASA-N 1 0 379.295 2.598 20 0 GFADRO C[N@@H+]1CCC[C@@H]2CN(S(=O)(=O)c3cccc(Br)c3F)CC[C@H]21 ZINC000543396903 564349013 /nfs/dbraw/zinc/34/90/13/564349013.db2.gz OVWBSKGUMKMNEU-DGCLKSJQSA-N 1 0 391.306 2.693 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)N1CCc2c(Br)ccc(F)c2C1 ZINC000543476539 564351727 /nfs/dbraw/zinc/35/17/27/564351727.db2.gz YZNULBSLIBRDOW-LLVKDONJSA-N 1 0 382.277 2.893 20 0 GFADRO CCOC(=O)[C@@H]1CCC[C@@H]1[NH2+]C[C@H](O)COc1ccc(Br)cc1 ZINC000451789731 564352301 /nfs/dbraw/zinc/35/23/01/564352301.db2.gz MVHRWJGXVBDXEN-IMJJTQAJSA-N 1 0 386.286 2.510 20 0 GFADRO CC(C)n1cc([C@H](C)[NH2+]CCNS(=O)(=O)c2ccc(F)cc2Cl)cn1 ZINC000510998913 564353133 /nfs/dbraw/zinc/35/31/33/564353133.db2.gz LTRVOZVGHWGDPT-LBPRGKRZSA-N 1 0 388.896 2.886 20 0 GFADRO CC(=O)Nc1ccc(C[NH2+]C[C@@H](O)COc2ccc(Cl)cc2Cl)cn1 ZINC000567043483 564354622 /nfs/dbraw/zinc/35/46/22/564354622.db2.gz ZRVWQGMBPVRNKH-CQSZACIVSA-N 1 0 384.263 2.876 20 0 GFADRO Cc1ccc(CCC(=O)N2CC[N@@H+](C[C@@H](C)O)C[C@H]2C)c(Br)c1 ZINC000476851462 564355843 /nfs/dbraw/zinc/35/58/43/564355843.db2.gz LJVVBZXPYAOKME-HUUCEWRRSA-N 1 0 383.330 2.604 20 0 GFADRO C[C@@H]([NH2+][C@@H]1COCC1(C)C)C(=O)Nc1cccc(I)c1 ZINC000451822901 564355920 /nfs/dbraw/zinc/35/59/20/564355920.db2.gz JAUDURZBOSDHRZ-ZWNOBZJWSA-N 1 0 388.249 2.633 20 0 GFADRO COc1ccc(CC[NH2+]CCc2ccc(F)cc2Cl)cc1S(N)(=O)=O ZINC000567091223 564357491 /nfs/dbraw/zinc/35/74/91/564357491.db2.gz NSDUQQCVTOYAIO-UHFFFAOYSA-N 1 0 386.876 2.510 20 0 GFADRO C[C@H]1CCC[C@@](CNC(=O)c2c(Cl)cccc2S(C)(=O)=O)([NH+](C)C)C1 ZINC000476907358 564358700 /nfs/dbraw/zinc/35/87/00/564358700.db2.gz PURHWHWSRUPBBS-SCLBCKFNSA-N 1 0 386.945 2.984 20 0 GFADRO O=C([C@@H]1C[C@@]12CCc1cc(Br)ccc12)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000567164691 564359986 /nfs/dbraw/zinc/35/99/86/564359986.db2.gz UOUIZPKUNQOACL-YTQUADARSA-N 1 0 375.310 2.865 20 0 GFADRO COc1ccc(Cl)cc1NCC(=O)N1C[C@@H]([NH+]2CCCC2)[C@@H](SC)C1 ZINC000543701365 564360600 /nfs/dbraw/zinc/36/06/00/564360600.db2.gz PQKKOGPATKZTPR-WBVHZDCISA-N 1 0 383.945 2.799 20 0 GFADRO Brc1cccc(NCC[NH2+]C2CCN(c3cnccn3)CC2)c1 ZINC000543704411 564360792 /nfs/dbraw/zinc/36/07/92/564360792.db2.gz XIKSAYJOSGOGDP-UHFFFAOYSA-N 1 0 376.302 2.910 20 0 GFADRO O=C(Nc1ccc(Br)cc1)C1CC[NH+](CC[C@H]2CCNC2=O)CC1 ZINC000567176367 564361332 /nfs/dbraw/zinc/36/13/32/564361332.db2.gz CHHZBFGVBQPPBJ-CYBMUJFWSA-N 1 0 394.313 2.626 20 0 GFADRO COc1cc(Br)c(CN2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)cc1O ZINC000567243052 564363190 /nfs/dbraw/zinc/36/31/90/564363190.db2.gz MQZNOEPHKWDYKT-PBHICJAKSA-N 1 0 399.329 2.882 20 0 GFADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N[C@@H]1CCSc2ccc(Cl)cc21 ZINC000477060205 564363457 /nfs/dbraw/zinc/36/34/57/564363457.db2.gz CREZGFKQEUDKNS-SWLSCSKDSA-N 1 0 383.945 2.840 20 0 GFADRO C[NH+](C)C[C@H]1CCCN1c1ncnc2ccc(I)cc21 ZINC000477123475 564365561 /nfs/dbraw/zinc/36/55/61/564365561.db2.gz RNKSFYCMFFOUCC-GFCCVEGCSA-N 1 0 382.249 2.765 20 0 GFADRO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)[C@H]2CC(=O)Nc3ccc(Br)cc32)C1 ZINC000567322279 564366099 /nfs/dbraw/zinc/36/60/99/564366099.db2.gz VKSHDTPKYUKYPI-WPGHFRTFSA-N 1 0 394.313 2.720 20 0 GFADRO CSCC[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)N[C@@H](C)CC[NH3+] ZINC000477191985 564369117 /nfs/dbraw/zinc/36/91/17/564369117.db2.gz UGVVQBDLJLHRFY-HZMBPMFUSA-N 1 0 392.352 2.698 20 0 GFADRO CN(C(=O)c1ccc(F)c(I)c1)[C@H]1C[NH+]2CCC1CC2 ZINC000477247338 564370434 /nfs/dbraw/zinc/37/04/34/564370434.db2.gz IAHLWYYCOZWJJY-AWEZNQCLSA-N 1 0 388.224 2.597 20 0 GFADRO CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+]C[C@H](CO)Cc2c(F)cccc2Cl)C1 ZINC000511431303 564372513 /nfs/dbraw/zinc/37/25/13/564372513.db2.gz RNDZWIFZSAXAQP-HZSPNIEDSA-N 1 0 377.909 2.576 20 0 GFADRO O=C([C@@H]1C[C@@]12CC[NH2+]C2)N1CCC(Oc2cccc(Br)c2)CC1 ZINC000567468909 564372695 /nfs/dbraw/zinc/37/26/95/564372695.db2.gz GBUGASXPYCRAIO-FUHWJXTLSA-N 1 0 379.298 2.819 20 0 GFADRO O=C(NCC[C@H]1CCC[NH2+]1)Nc1ccc(-c2ccc(Br)s2)nn1 ZINC000567452324 564372823 /nfs/dbraw/zinc/37/28/23/564372823.db2.gz KGQIBYGYTPVQHH-SNVBAGLBSA-N 1 0 396.314 3.231 20 0 GFADRO COc1ccc(Br)cc1C(=O)CCC(=O)N1CC[NH2+]C(C)(C)C1 ZINC000477321082 564373067 /nfs/dbraw/zinc/37/30/67/564373067.db2.gz LMPREJMYHTZGSH-UHFFFAOYSA-N 1 0 383.286 2.631 20 0 GFADRO Cc1cc(COc2ccc(C(=O)N[C@H](C)CC[NH3+])cc2Br)no1 ZINC000477313191 564373492 /nfs/dbraw/zinc/37/34/92/564373492.db2.gz AKQPTVBVAOKRRX-SNVBAGLBSA-N 1 0 382.258 2.792 20 0 GFADRO O=C(Nc1cc(Cl)cc(C(F)(F)F)c1)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000477328239 564373498 /nfs/dbraw/zinc/37/34/98/564373498.db2.gz GCDMOPRLOJRNMC-LLVKDONJSA-N 1 0 375.778 2.650 20 0 GFADRO [NH3+][C@H]1C[C@H](N[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)c2ccccc21 ZINC000567490104 564373856 /nfs/dbraw/zinc/37/38/56/564373856.db2.gz QPTYSFPBMILHGW-COXVUDFISA-N 1 0 377.535 2.636 20 0 GFADRO Cn1ccnc1Sc1ncc(C(=O)N[C@H]2CC[NH2+]CC2(C)C)cc1Cl ZINC000567501145 564374191 /nfs/dbraw/zinc/37/41/91/564374191.db2.gz DRZDRNMKAHFCTE-ZDUSSCGKSA-N 1 0 379.917 2.738 20 0 GFADRO CC(=O)NC1CCC([N@H+](C)C[C@@H](O)COc2ccc(Br)cc2)CC1 ZINC000544109364 564375121 /nfs/dbraw/zinc/37/51/21/564375121.db2.gz RHYNIXYJQTWNAF-OFLPRAFFSA-N 1 0 399.329 2.568 20 0 GFADRO Cn1nc2c(c1C[NH2+]C[C@@H](O)COc1ccc(Br)cc1)CCCC2 ZINC000567582759 564378584 /nfs/dbraw/zinc/37/85/84/564378584.db2.gz ZKPHCTPUFCVLQQ-CQSZACIVSA-N 1 0 394.313 2.591 20 0 GFADRO CCN(c1cccc(Cl)c1)S(=O)(=O)c1c(C)nn(CC[NH+](C)C)c1C ZINC000477520598 564379540 /nfs/dbraw/zinc/37/95/40/564379540.db2.gz OSYCLKBCSLRLRI-UHFFFAOYSA-N 1 0 384.933 2.930 20 0 GFADRO Cc1nc(-c2cc3c(s2)CCN(C(=O)COC2CC[NH2+]CC2)C3)cs1 ZINC000567649745 564381312 /nfs/dbraw/zinc/38/13/12/564381312.db2.gz ZEDWWUSPTZZWPN-UHFFFAOYSA-N 1 0 377.535 2.833 20 0 GFADRO C[NH+](C)Cc1ccc(S(=O)(=O)NCc2ccc(Br)cc2)cc1 ZINC000477574607 564381268 /nfs/dbraw/zinc/38/12/68/564381268.db2.gz XXIOAUFKXDIVRV-UHFFFAOYSA-N 1 0 383.311 2.989 20 0 GFADRO CN(C)Cc1cnc(C[NH2+]C[C@@H](CO)Cc2ccc(Br)cc2)s1 ZINC000511788951 564382026 /nfs/dbraw/zinc/38/20/26/564382026.db2.gz VQOWEZJRKZOVGB-AWEZNQCLSA-N 1 0 398.370 2.908 20 0 GFADRO C[C@@H](CC[NH+](C)C)NC(=O)[C@H](c1cc(Cl)cc(Cl)c1)N1CCOCC1 ZINC000511785765 564382465 /nfs/dbraw/zinc/38/24/65/564382465.db2.gz MTJIKULBMSVHMV-GUYCJALGSA-N 1 0 388.339 2.823 20 0 GFADRO CCC(C)(C)[NH2+][C@H](C)C(=O)N1CCNC(=O)[C@H]1c1ccccc1Br ZINC000477633847 564382660 /nfs/dbraw/zinc/38/26/60/564382660.db2.gz MJAAJDNMZLIFIN-IUODEOHRSA-N 1 0 396.329 2.615 20 0 GFADRO CCC[C@@H]([NH2+]C(C)C)C(=O)NCc1ccc(S(=O)(=O)N(CC)CC)s1 ZINC000477668348 564383105 /nfs/dbraw/zinc/38/31/05/564383105.db2.gz YAVZXPANDMSLTP-OAHLLOKOSA-N 1 0 389.587 2.562 20 0 GFADRO Cn1c(=O)oc2cc(C[NH2+][C@@H](CO)c3ccc(Br)cc3)ccc21 ZINC000511863037 564384343 /nfs/dbraw/zinc/38/43/43/564384343.db2.gz YDSTXICYBBLKAN-AWEZNQCLSA-N 1 0 377.238 2.717 20 0 GFADRO CSC[C@@H](O)C[NH2+][C@@H](c1ccc(F)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000567725892 564385356 /nfs/dbraw/zinc/38/53/56/564385356.db2.gz NGSZLFJMIAOXSK-WMZOPIPTSA-N 1 0 383.510 2.632 20 0 GFADRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1ccc(F)c(I)c1 ZINC000477780745 564387285 /nfs/dbraw/zinc/38/72/85/564387285.db2.gz RCLHIJCHXFYLTN-XPTSAGLGSA-N 1 0 388.224 2.643 20 0 GFADRO O=c1cc(C[N@@H+]2CC[C@@H](c3cccnc3)C2)nc2ccc(Br)cn12 ZINC000567796959 564389325 /nfs/dbraw/zinc/38/93/25/564389325.db2.gz KQDBHJQCTHVWFY-CQSZACIVSA-N 1 0 385.265 2.842 20 0 GFADRO CCOCCOC[C@H](O)C[NH2+][C@H]1CCCOc2ccc(Br)cc21 ZINC000477937572 564390832 /nfs/dbraw/zinc/39/08/32/564390832.db2.gz ZXYZTSJWTZVFAW-ZBFHGGJFSA-N 1 0 388.302 2.666 20 0 GFADRO O=C(NC1CC([NH+]2CCCCC2)C1)[C@@H]1Cc2cc(Br)ccc2O1 ZINC000477954594 564391347 /nfs/dbraw/zinc/39/13/47/564391347.db2.gz JRJCFGNZBKULOX-DQPZFDDXSA-N 1 0 379.298 2.886 20 0 GFADRO C[C@H](Oc1ccc(Cl)cc1Br)C(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000567846032 564391689 /nfs/dbraw/zinc/39/16/89/564391689.db2.gz RSZUNFSJJNHFOV-QPUJVOFHSA-N 1 0 397.647 2.983 20 0 GFADRO C[C@@H]([NH2+]Cc1ncc(I)s1)[C@H](O)Cc1ccccc1 ZINC000512085022 564391784 /nfs/dbraw/zinc/39/17/84/564391784.db2.gz ZWUDBSUZMZPXNM-ZYHUDNBSSA-N 1 0 388.274 2.829 20 0 GFADRO O=S(=O)(NCCC[C@H]1CCC[NH2+]1)c1cccc(Br)c1Cl ZINC000567862085 564392323 /nfs/dbraw/zinc/39/23/23/564392323.db2.gz KPXYSNZKBOKJOM-SNVBAGLBSA-N 1 0 381.723 2.913 20 0 GFADRO CC(=O)c1cc(Br)ccc1OCC(=O)N1CCC([NH+](C)C)CC1 ZINC000512137488 564392405 /nfs/dbraw/zinc/39/24/05/564392405.db2.gz UVVRMKLZJPPYMD-UHFFFAOYSA-N 1 0 383.286 2.583 20 0 GFADRO COc1cc(S(=O)(=O)N(C)[C@H]2CC[N@@H+](C(C)C)C2)ccc1Br ZINC000452104395 564392733 /nfs/dbraw/zinc/39/27/33/564392733.db2.gz LYJVTHHCFPAQEZ-LBPRGKRZSA-N 1 0 391.331 2.561 20 0 GFADRO C[C@H]1CSC[C@H]1[NH2+]CC(=O)Nc1ccccc1I ZINC000512168855 564394671 /nfs/dbraw/zinc/39/46/71/564394671.db2.gz VOPULXQBESDUHB-JOYOIKCWSA-N 1 0 376.263 2.571 20 0 GFADRO C[C@@H]1CC[N@H+](C)CCN1C(=O)c1cc(Br)cnc1OCC1CC1 ZINC000512254845 564396025 /nfs/dbraw/zinc/39/60/25/564396025.db2.gz YTAPKTYYOJIGTB-GFCCVEGCSA-N 1 0 382.302 2.799 20 0 GFADRO CC[NH+]1CCN([C@H](C)CNC(=O)[C@H]2CCc3cc(Br)ccc32)CC1 ZINC000567938947 564396762 /nfs/dbraw/zinc/39/67/62/564396762.db2.gz MLOSEVVNHJHKBE-KDOFPFPSSA-N 1 0 394.357 2.621 20 0 GFADRO Cc1cc(Br)cn2cc(CCNC(=O)C[N@H+]3[C@H](C)CC[C@@H]3C)nc12 ZINC000544771914 564397972 /nfs/dbraw/zinc/39/79/72/564397972.db2.gz VRBAHHRJQGVWAR-OKILXGFUSA-N 1 0 393.329 2.937 20 0 GFADRO CC(C)Oc1cc(Br)ccc1C(=O)N[C@@H](CO)C[NH+]1CCCCC1 ZINC000512355472 564398926 /nfs/dbraw/zinc/39/89/26/564398926.db2.gz XNHQMHFKKLZFDI-OAHLLOKOSA-N 1 0 399.329 2.813 20 0 GFADRO Cc1nnc([C@H](C)[NH2+]C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)s1 ZINC000544828717 564400189 /nfs/dbraw/zinc/40/01/89/564400189.db2.gz YEUTVBQLIMXBIK-ZDUSSCGKSA-N 1 0 380.539 2.659 20 0 GFADRO CCCN(CC[NH+]1CCCC1)Cc1nnnn1-c1ccccc1Br ZINC000512421112 564401434 /nfs/dbraw/zinc/40/14/34/564401434.db2.gz PTWDKIXKXIEXIL-UHFFFAOYSA-N 1 0 393.333 2.733 20 0 GFADRO COc1c[nH+]ccc1N1CCN(C(=O)[C@@H]2SCCc3sccc32)CC1 ZINC000478437431 564402738 /nfs/dbraw/zinc/40/27/38/564402738.db2.gz PJYZORIEVCLKSF-QGZVFWFLSA-N 1 0 375.519 2.831 20 0 GFADRO COC(=O)c1cn([C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3Br)C2)nn1 ZINC000544899666 564403049 /nfs/dbraw/zinc/40/30/49/564403049.db2.gz WYIMPVMDKKLUSJ-NWDGAFQWSA-N 1 0 379.258 2.835 20 0 GFADRO O=C(NC[C@H]1CCC[N@H+]1CCCO)c1cc(Cl)ccc1Br ZINC000452345213 564406498 /nfs/dbraw/zinc/40/64/98/564406498.db2.gz DOXTVUGMOSOXFK-GFCCVEGCSA-N 1 0 375.694 2.679 20 0 GFADRO C[NH+](C)CCNS(=O)(=O)c1cccc(NCc2ccc(F)c(Cl)c2)c1 ZINC000512619370 564406858 /nfs/dbraw/zinc/40/68/58/564406858.db2.gz YBDLIBYWPKFQBM-UHFFFAOYSA-N 1 0 385.892 2.931 20 0 GFADRO CC[C@H](Cc1cccc(Br)c1)C(=O)NC[C@H]1CCC[N@@H+]1CCCO ZINC000452358045 564408118 /nfs/dbraw/zinc/40/81/18/564408118.db2.gz FSCZWDJASKMTQU-SJLPKXTDSA-N 1 0 397.357 2.981 20 0 GFADRO CCSCCCNC(=O)C(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000512739272 564409601 /nfs/dbraw/zinc/40/96/01/564409601.db2.gz IXCAFJOSLKMOTF-GDBMZVCRSA-N 1 0 383.583 2.507 20 0 GFADRO CCSCCCNC(=O)C(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000512739275 564409825 /nfs/dbraw/zinc/40/98/25/564409825.db2.gz IXCAFJOSLKMOTF-ZBFHGGJFSA-N 1 0 383.583 2.507 20 0 GFADRO CC[C@@H](Cc1ccccc1Br)C(=O)NC[C@H]1CCC[N@@H+]1CCCO ZINC000452374562 564410516 /nfs/dbraw/zinc/41/05/16/564410516.db2.gz WXWXYERCMGHKAS-DOTOQJQBSA-N 1 0 397.357 2.981 20 0 GFADRO Cc1ccc(CCC(=O)N[C@H]2CCC[N@H+](CCCO)C2)c(Br)c1 ZINC000452379671 564411364 /nfs/dbraw/zinc/41/13/64/564411364.db2.gz CVJAIYHWTUJSNK-INIZCTEOSA-N 1 0 383.330 2.653 20 0 GFADRO C[C@H](CC(=O)N[C@@H]1CCC[N@H+](CCCO)C1)c1ccc(Br)cc1 ZINC000452381104 564411893 /nfs/dbraw/zinc/41/18/93/564411893.db2.gz IQKJFTTZAUQXDV-RHSMWYFYSA-N 1 0 383.330 2.906 20 0 GFADRO O=C(N[C@@H]1CCC[N@@H+](CCCO)C1)c1ccc(Br)c(Cl)c1 ZINC000452386903 564411996 /nfs/dbraw/zinc/41/19/96/564411996.db2.gz YJAHGJBPOPENIP-GFCCVEGCSA-N 1 0 375.694 2.679 20 0 GFADRO Cc1cc(C(=O)N[C@@H]2CCC[N@H+](CCCO)C2)cc(Cl)c1Br ZINC000452383827 564412058 /nfs/dbraw/zinc/41/20/58/564412058.db2.gz PFYNFKMGMGRUPF-CYBMUJFWSA-N 1 0 389.721 2.988 20 0 GFADRO O=C(NC[C@H]1CCCC[N@H+]1CCO)c1cc2c(cccc2Br)[nH]1 ZINC000452397042 564412428 /nfs/dbraw/zinc/41/24/28/564412428.db2.gz ZBDFNTBLUMHWCR-GFCCVEGCSA-N 1 0 380.286 2.507 20 0 GFADRO O=C(CCCc1ccccc1Br)NC[C@H]1CCCC[N@H+]1CCO ZINC000452387948 564412472 /nfs/dbraw/zinc/41/24/72/564412472.db2.gz INDGZUBJVTVVIX-MRXNPFEDSA-N 1 0 383.330 2.735 20 0 GFADRO COC(=O)c1ccc(C(F)(F)F)nc1SCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000478709006 564412673 /nfs/dbraw/zinc/41/26/73/564412673.db2.gz DUQRSZZRCUSAPE-PHIMTYICSA-N 1 0 376.400 2.842 20 0 GFADRO O[C@H](COc1cccc(Br)c1)C[N@@H+]1CC[C@@H](COC(F)F)C1 ZINC000512812324 564412857 /nfs/dbraw/zinc/41/28/57/564412857.db2.gz SCJWARLXHLIGQF-YPMHNXCESA-N 1 0 380.229 2.750 20 0 GFADRO C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NC[C@H]1CCCC[N@@H+]1CCO ZINC000452394724 564412871 /nfs/dbraw/zinc/41/28/71/564412871.db2.gz VLEDWRFZIJZNHP-TZMCWYRMSA-N 1 0 375.296 2.724 20 0 GFADRO CS(=O)(=O)N[C@@H]1CCCC[C@@H]1C[NH2+]Cc1ccc(F)cc1Br ZINC000512849516 564413839 /nfs/dbraw/zinc/41/38/39/564413839.db2.gz FQLISHQTVIIXBZ-IUODEOHRSA-N 1 0 393.322 2.786 20 0 GFADRO O=S(=O)(NCCC[NH2+]Cc1ccsc1)c1ccccc1Br ZINC000512885509 564415282 /nfs/dbraw/zinc/41/52/82/564415282.db2.gz QRYNZHBMVPGMDM-UHFFFAOYSA-N 1 0 389.340 2.969 20 0 GFADRO Cn1ccc(CC(=O)NC2CCN(Cc3cccc(Br)c3)CC2)n1 ZINC000568366778 564415537 /nfs/dbraw/zinc/41/55/37/564415537.db2.gz JGDGUAWDYYHHSK-UHFFFAOYSA-N 1 0 391.313 2.506 20 0 GFADRO COc1cc(C[NH2+]C[C@H](N2CCOCC2)C(F)(F)F)cc(Cl)c1OC ZINC000513012268 564417829 /nfs/dbraw/zinc/41/78/29/564417829.db2.gz OMUUIWFRIPBPHA-AWEZNQCLSA-N 1 0 382.810 2.710 20 0 GFADRO C[N@H+](CC(=O)N[C@@H](CCO)c1cccc(C(F)(F)F)c1)[C@@H]1CCSC1 ZINC000452533031 564418534 /nfs/dbraw/zinc/41/85/34/564418534.db2.gz LMPPJUBCBKQNKU-CABCVRRESA-N 1 0 376.444 2.682 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000478958355 564420172 /nfs/dbraw/zinc/42/01/72/564420172.db2.gz RXCMXKCUDWBKSE-MEDUHNTESA-N 1 0 394.313 2.549 20 0 GFADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)Nc1ccc(Cl)cc1Br ZINC000478979227 564420421 /nfs/dbraw/zinc/42/04/21/564420421.db2.gz JEFSSQVKQMVLNW-JTQLQIEISA-N 1 0 390.709 2.888 20 0 GFADRO COC(=O)C[C@](C)([NH2+]C[C@H](O)C(F)(F)F)c1ccc(Br)cc1 ZINC000513121285 564420959 /nfs/dbraw/zinc/42/09/59/564420959.db2.gz BKRNKAUEYZIJEF-AAEUAGOBSA-N 1 0 384.192 2.740 20 0 GFADRO CC[C@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1ccc(Cl)cc1C(=O)OC ZINC000513170961 564422790 /nfs/dbraw/zinc/42/27/90/564422790.db2.gz NVRNAZOTGFKQEZ-AWEZNQCLSA-N 1 0 388.917 2.669 20 0 GFADRO Cc1cc(Br)ccc1C(=O)N1CCC([NH2+]CCN2CCC2)CC1 ZINC000545458966 564423290 /nfs/dbraw/zinc/42/32/90/564423290.db2.gz ZPKLAWQONUDLTH-UHFFFAOYSA-N 1 0 380.330 2.657 20 0 GFADRO CCCN(CC[S@](=O)c1cc(Cl)ccc1Cl)[C@H]1CC(=O)N(C)C1=O ZINC000568535687 564423522 /nfs/dbraw/zinc/42/35/22/564423522.db2.gz HVSZHLRZPZWQRH-RZFZLAGVSA-N 1 0 391.320 2.570 20 0 GFADRO CC(C)NS(=O)(=O)CC[NH2+][C@@H](Cc1cccnc1)c1ccc(Cl)cc1 ZINC000545460762 564424351 /nfs/dbraw/zinc/42/43/51/564424351.db2.gz VFZSQVMXAXNKSO-SFHVURJKSA-N 1 0 381.929 2.936 20 0 GFADRO Cn1cc2c(n1)CCC[C@@H]2[NH2+]CCCNC(=O)c1cccc(Br)c1 ZINC000479060776 564424400 /nfs/dbraw/zinc/42/44/00/564424400.db2.gz NCOQNSIMTVEMQW-INIZCTEOSA-N 1 0 391.313 2.970 20 0 GFADRO C[N@H+](C[C@H](O)CN1CCN(CCc2ccc(Cl)c(Cl)c2)CC1)C1CC1 ZINC000568568218 564424985 /nfs/dbraw/zinc/42/49/85/564424985.db2.gz LJOUOBWZULDPNX-KRWDZBQOSA-N 1 0 386.367 2.609 20 0 GFADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@@H]1CCO[C@H](c2ccncc2)C1 ZINC000568604749 564426006 /nfs/dbraw/zinc/42/60/06/564426006.db2.gz GGOALZUYYYFQIA-XYPHTWIQSA-N 1 0 392.297 2.904 20 0 GFADRO CC(C)CC[C@@H](O)C[NH2+]CCc1ccc(S(=O)(=O)N2CCCCC2)s1 ZINC000568619467 564426837 /nfs/dbraw/zinc/42/68/37/564426837.db2.gz CFHVVAWIWJREKR-MRXNPFEDSA-N 1 0 388.599 2.852 20 0 GFADRO C[NH+](C)CCCNC(=O)c1cccn1-c1ccc(I)cc1 ZINC000513426613 564429389 /nfs/dbraw/zinc/42/93/89/564429389.db2.gz KESYSLURDFNVAX-UHFFFAOYSA-N 1 0 397.260 2.763 20 0 GFADRO O=C(COc1c(Cl)cc(Cl)cc1Cl)NC[C@H]1CCC[N@H+]1CCCO ZINC000452784207 564431551 /nfs/dbraw/zinc/43/15/51/564431551.db2.gz NXIQAIKNZXZXAK-GFCCVEGCSA-N 1 0 395.714 2.989 20 0 GFADRO C[C@H](Cc1ccc(Br)cc1)[NH2+]CCNS(=O)(=O)c1ccccc1 ZINC000479250917 564433472 /nfs/dbraw/zinc/43/34/72/564433472.db2.gz JAXIHYYORGEUFM-CQSZACIVSA-N 1 0 397.338 2.948 20 0 GFADRO O=C(NCCCn1cc(Br)cn1)N1CCC([NH+]2CCCCC2)CC1 ZINC000513609507 564434047 /nfs/dbraw/zinc/43/40/47/564434047.db2.gz PJDAHJLPRVAJCD-UHFFFAOYSA-N 1 0 398.349 2.696 20 0 GFADRO C[NH+](C)CCN1CCC(Nc2ncnc3cc(F)c(Br)cc32)CC1 ZINC000545866072 564434525 /nfs/dbraw/zinc/43/45/25/564434525.db2.gz UDGFGISUEKAOMX-UHFFFAOYSA-N 1 0 396.308 2.969 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CNc1ncnc2cccc(I)c21 ZINC000545866081 564434828 /nfs/dbraw/zinc/43/48/28/564434828.db2.gz UMQLPROEWVBFSH-LLVKDONJSA-N 1 0 382.249 3.131 20 0 GFADRO CNS(=O)(=O)CC[NH2+][C@H](C)c1ccc(Br)cc1C(F)(F)F ZINC000479294779 564435397 /nfs/dbraw/zinc/43/53/97/564435397.db2.gz IJEQSSDCRJLJBY-MRVPVSSYSA-N 1 0 389.237 2.668 20 0 GFADRO C[N@@H+]1CC[C@@](O)(CNC(=O)Nc2ccc(Br)c3ccccc23)C1 ZINC000545877119 564435393 /nfs/dbraw/zinc/43/53/93/564435393.db2.gz ZNAATGILNOIDKR-QGZVFWFLSA-N 1 0 378.270 2.790 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000479327116 564436288 /nfs/dbraw/zinc/43/62/88/564436288.db2.gz YQFCPXIRTATMHM-UHFFFAOYSA-N 1 0 396.329 2.941 20 0 GFADRO C[C@H]1CCc2ccc(Br)cc2[C@@H]([NH2+]CCCNS(C)(=O)=O)C1 ZINC000479357107 564437402 /nfs/dbraw/zinc/43/74/02/564437402.db2.gz HRCUOTCTGCRUFB-LRDDRELGSA-N 1 0 389.359 2.992 20 0 GFADRO Cc1nc(CNC(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)sc1Br ZINC000568847769 564438153 /nfs/dbraw/zinc/43/81/53/564438153.db2.gz FFORYTIDDDIYMA-LBPRGKRZSA-N 1 0 387.347 2.745 20 0 GFADRO O=S(=O)(c1ccc2ccccc2c1Br)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000568881092 564438889 /nfs/dbraw/zinc/43/88/89/564438889.db2.gz DGFVUMTVCRCGRG-KRWDZBQOSA-N 1 0 395.322 2.976 20 0 GFADRO C[C@H]1CCc2ccc(Br)cc2[C@@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC000479453840 564440845 /nfs/dbraw/zinc/44/08/45/564440845.db2.gz NLLZWMKBXLEUGK-NHYWBVRUSA-N 1 0 380.286 2.604 20 0 GFADRO C[C@@H]1COCC[N@H+](C[C@@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000513978662 564443618 /nfs/dbraw/zinc/44/36/18/564443618.db2.gz QDGFMHZOJYDZGA-WCQYABFASA-N 1 0 378.694 2.811 20 0 GFADRO C[C@H]1COCC[N@H+](C[C@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000513978663 564444117 /nfs/dbraw/zinc/44/41/17/564444117.db2.gz QDGFMHZOJYDZGA-YPMHNXCESA-N 1 0 378.694 2.811 20 0 GFADRO C[C@@H]([NH2+]CC(=O)NC(C)(C)C)c1ccc(F)c(I)c1 ZINC000453073106 564445565 /nfs/dbraw/zinc/44/55/65/564445565.db2.gz NOUUZNLQCUQGML-SECBINFHSA-N 1 0 378.229 2.996 20 0 GFADRO C[C@@H]1CC[N@H+](CC(=O)NCC(=O)Nc2ccccc2Br)CC1(C)C ZINC000546125085 564445635 /nfs/dbraw/zinc/44/56/35/564445635.db2.gz YCCPLXVFKUYGFR-CYBMUJFWSA-N 1 0 396.329 2.872 20 0 GFADRO CN1CCN(C(=O)CC[N@H+](Cc2csc(Br)c2)C2CC2)CC1 ZINC000514102977 564445761 /nfs/dbraw/zinc/44/57/61/564445761.db2.gz YCNHHFCKVBKZQO-UHFFFAOYSA-N 1 0 386.359 2.639 20 0 GFADRO CN1C(=O)C[C@@H](C(=O)NCC[N@H+](C)C2CC2)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000479640775 564446367 /nfs/dbraw/zinc/44/63/67/564446367.db2.gz WGNFFYBELZSBTH-DYVFJYSZSA-N 1 0 384.307 2.723 20 0 GFADRO C[C@@H]([NH2+][C@H]1CCC(=O)N(C)C1)c1ccc(F)c(I)c1 ZINC000453106822 564446726 /nfs/dbraw/zinc/44/67/26/564446726.db2.gz FOFMFNGHPOQOBH-KOLCDFICSA-N 1 0 376.213 2.702 20 0 GFADRO CCOC(=O)[C@H](C)[C@@H](C)[NH2+]CC(=O)N(C)Cc1ccccc1Br ZINC000514241000 564448036 /nfs/dbraw/zinc/44/80/36/564448036.db2.gz HPGRBPBOODOLRT-CHWSQXEVSA-N 1 0 385.302 2.585 20 0 GFADRO C[C@@H]([NH2+][C@H]1CCc2ncnn2C1)c1ccc(F)c(I)c1 ZINC000453155083 564448612 /nfs/dbraw/zinc/44/86/12/564448612.db2.gz FBQMDSYEKWWSGM-KOLCDFICSA-N 1 0 386.212 2.687 20 0 GFADRO CC[NH2+]CCCNC(=O)NCc1ccc(I)c(Cl)c1 ZINC000569094195 564449262 /nfs/dbraw/zinc/44/92/62/564449262.db2.gz XRJVCVAXIMMOBB-UHFFFAOYSA-N 1 0 395.672 2.743 20 0 GFADRO CCOc1ccc(S(=O)(=O)NCCC[NH2+]C(C)C)cc1Br ZINC000569120152 564449886 /nfs/dbraw/zinc/44/98/86/564449886.db2.gz YYIVSMHRKSSKJD-UHFFFAOYSA-N 1 0 379.320 2.514 20 0 GFADRO COC1([C@H](C)[NH2+]C[C@@H](CO)Cc2cccc(Br)c2)CCOCC1 ZINC000453201685 564450196 /nfs/dbraw/zinc/45/01/96/564450196.db2.gz CGDYAWBPRSDXIT-HOCLYGCPSA-N 1 0 386.330 2.774 20 0 GFADRO COCCOc1ccc([C@H](C)[NH2+]CCn2cc(Br)ccc2=O)cc1 ZINC000453240903 564451049 /nfs/dbraw/zinc/45/10/49/564451049.db2.gz CNZGDBRCZOFOQP-AWEZNQCLSA-N 1 0 395.297 2.987 20 0 GFADRO CC[C@H](COCC(F)(F)F)[NH2+][C@H](C)c1cc(S(N)(=O)=O)c(C)cc1C ZINC000453258124 564451186 /nfs/dbraw/zinc/45/11/86/564451186.db2.gz ODLNRRQPBYNPAM-CHWSQXEVSA-N 1 0 382.448 2.959 20 0 GFADRO O=C(Nc1sccc1C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)c1ccccc1Cl ZINC000479889684 564453467 /nfs/dbraw/zinc/45/34/67/564453467.db2.gz WSDRKNLBIJSZJD-TXEJJXNPSA-N 1 0 375.881 2.945 20 0 GFADRO C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CCN1C[C@H]2CC[C@@H](C1)O2 ZINC000453352686 564453974 /nfs/dbraw/zinc/45/39/74/564453974.db2.gz RGXGMATXUIWTFS-RRQGHBQHSA-N 1 0 396.329 2.619 20 0 GFADRO COc1ccc(C[C@H](CO)C[NH2+][C@@H](C)c2ccnn2C)cc1Br ZINC000453356086 564455014 /nfs/dbraw/zinc/45/50/14/564455014.db2.gz IIPKDCRLXFAIBK-JSGCOSHPSA-N 1 0 382.302 2.693 20 0 GFADRO C[C@@H](Cc1cnn(C)c1)[NH2+][C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000453360913 564455182 /nfs/dbraw/zinc/45/51/82/564455182.db2.gz UAGGECYPPAQVMC-XHDPSFHLSA-N 1 0 398.326 2.622 20 0 GFADRO CCO[C@@H]1C[C@@H]([NH2+]CCS(=O)(=O)NC(C)(C)C)[C@H]1Sc1ccccc1 ZINC000514716496 564455411 /nfs/dbraw/zinc/45/54/11/564455411.db2.gz DXNGHFVIFWUGBK-BRWVUGGUSA-N 1 0 386.583 2.632 20 0 GFADRO Cc1ccc(C[C@@H](CO)C[NH2+][C@H](C)Cc2cnccn2)cc1Br ZINC000453379657 564456490 /nfs/dbraw/zinc/45/64/90/564456490.db2.gz QPVAFMWTBCCGBL-GDBMZVCRSA-N 1 0 378.314 2.919 20 0 GFADRO CN(C)C(=O)CC[NH+]1CCC(Nc2ncc(Cl)cc2Br)CC1 ZINC000479998926 564456766 /nfs/dbraw/zinc/45/67/66/564456766.db2.gz WLLJBSMBKGNRRS-UHFFFAOYSA-N 1 0 389.725 2.852 20 0 GFADRO O=C(NCCC[NH+]1CCCC1)C(=O)Nc1cc(Cl)cc(Br)c1 ZINC000453584199 564458890 /nfs/dbraw/zinc/45/88/90/564458890.db2.gz PBNSVEVMTJHMTC-UHFFFAOYSA-N 1 0 388.693 2.643 20 0 GFADRO COc1cc(C[NH2+]C[C@@]2(C)CCC(=O)N2)cc(Br)c1OC(F)F ZINC000453592253 564459011 /nfs/dbraw/zinc/45/90/11/564459011.db2.gz SSOOBDPEZBCLHN-OAHLLOKOSA-N 1 0 393.228 2.817 20 0 GFADRO Cc1cc(Br)c(CN2CC[NH+]([C@H]3CCNC(=O)CC3)CC2)s1 ZINC000453593179 564459145 /nfs/dbraw/zinc/45/91/45/564459145.db2.gz JGFNXLNZZUJZQU-CYBMUJFWSA-N 1 0 386.359 2.605 20 0 GFADRO CCS(=O)(=O)N1CCC([NH2+]Cc2sc(C)cc2Br)CC1 ZINC000453587281 564459460 /nfs/dbraw/zinc/45/94/60/564459460.db2.gz SVURIFDXQKTORB-UHFFFAOYSA-N 1 0 381.361 2.723 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cc(Cl)cc(Br)c1 ZINC000453647865 564462326 /nfs/dbraw/zinc/46/23/26/564462326.db2.gz SCEXWVRDVMINQH-ZDUSSCGKSA-N 1 0 388.693 2.642 20 0 GFADRO O=C(NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1)N1CCc2sc(Cl)cc2C1 ZINC000514934821 564462898 /nfs/dbraw/zinc/46/28/98/564462898.db2.gz ORQQHVGBYFGOGO-LSDHHAIUSA-N 1 0 383.945 2.847 20 0 GFADRO Cc1ccc(F)c(Br)c1NC(=O)C(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000453677604 564464358 /nfs/dbraw/zinc/46/43/58/564464358.db2.gz PPHLTEJOURUHNR-GHMZBOCLSA-N 1 0 398.276 2.577 20 0 GFADRO COC1(C(=O)N[C@H]2CCCN(c3ccc(Cl)cc3Cl)C2)CC[NH2+]CC1 ZINC000569459782 564464539 /nfs/dbraw/zinc/46/45/39/564464539.db2.gz XCPUUTQQUPXPIH-AWEZNQCLSA-N 1 0 386.323 2.847 20 0 GFADRO O[C@@H](C[NH2+][C@H]1CCN(CC(F)(F)F)C1)COc1cc(Cl)ccc1Cl ZINC000569475019 564464922 /nfs/dbraw/zinc/46/49/22/564464922.db2.gz XDCVMBXZEHLMBX-RYUDHWBXSA-N 1 0 387.229 2.959 20 0 GFADRO CSc1ncc(C(=O)NC[C@@]2([NH+](C)C)CCSC2)n1-c1ccccc1 ZINC000480263116 564466644 /nfs/dbraw/zinc/46/66/44/564466644.db2.gz TXJJBFGAVFHRIW-SFHVURJKSA-N 1 0 376.551 2.761 20 0 GFADRO CSCC[C@H]([NH3+])C(=O)Nc1ccc2c(c1)CCC(=O)N2CC(F)(F)F ZINC000515040569 564467009 /nfs/dbraw/zinc/46/70/09/564467009.db2.gz CPFFFKKSZPDRCI-LBPRGKRZSA-N 1 0 375.416 2.547 20 0 GFADRO CN(C(=O)Nc1ccnn1Cc1cccc(Br)c1)[C@@H]1CC[NH2+]C1 ZINC000515045996 564467200 /nfs/dbraw/zinc/46/72/00/564467200.db2.gz HOSYAKPMFFRANV-CQSZACIVSA-N 1 0 378.274 2.520 20 0 GFADRO CC1CC[NH+](CCCCNS(=O)(=O)c2ccc(Br)o2)CC1 ZINC000546800680 564469934 /nfs/dbraw/zinc/46/99/34/564469934.db2.gz VCKNAZKDTAZICE-UHFFFAOYSA-N 1 0 379.320 2.833 20 0 GFADRO CC[N@H+](CCO)CCNC(=O)C(C)(C)COc1cc(Cl)cc(Cl)c1 ZINC000480394400 564471335 /nfs/dbraw/zinc/47/13/35/564471335.db2.gz HGDLKDLXSMXWSA-UHFFFAOYSA-N 1 0 377.312 2.829 20 0 GFADRO CC(C)[NH2+]C1(CO)CCN([C@H](C)C(=O)Nc2ccc(Br)cc2)CC1 ZINC000569618152 564471720 /nfs/dbraw/zinc/47/17/20/564471720.db2.gz CLBCFOGMCBLVGS-CQSZACIVSA-N 1 0 398.345 2.601 20 0 GFADRO O=S(=O)(c1csc(-c2ccccc2)n1)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000569604274 564471732 /nfs/dbraw/zinc/47/17/32/564471732.db2.gz OGPVKUIJZWBRFY-CVEARBPZSA-N 1 0 377.535 2.820 20 0 GFADRO CC[C@H](Cc1ccccc1Br)C(=O)N1CC[C@H](OC)C[C@H]1C[NH3+] ZINC000515234032 564473213 /nfs/dbraw/zinc/47/32/13/564473213.db2.gz UGHOBEPDADJVOD-KBMXLJTQSA-N 1 0 383.330 2.983 20 0 GFADRO O=S(=O)(Cc1cccc(Br)c1)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000515300065 564473895 /nfs/dbraw/zinc/47/38/95/564473895.db2.gz CIFNJVJWANEHLO-INIZCTEOSA-N 1 0 387.343 2.743 20 0 GFADRO CC[NH+](CC)C[C@H]1CCCC[C@H]1NCc1cc(Cl)cc(S(N)(=O)=O)c1 ZINC000569850020 564480860 /nfs/dbraw/zinc/48/08/60/564480860.db2.gz BVZCMTWVDSZPSZ-CRAIPNDOSA-N 1 0 387.977 2.978 20 0 GFADRO C[C@@H]1CN(C(=O)c2cnc(Sc3nccn3C)c(Cl)c2)C[C@@]1(C)C[NH3+] ZINC000569843643 564481085 /nfs/dbraw/zinc/48/10/85/564481085.db2.gz JPDFLVOVGAWNND-PIGZYNQJSA-N 1 0 379.917 2.677 20 0 GFADRO Cc1cc(F)c(Br)cc1S(=O)(=O)N1CCC(C[NH+](C)C)CC1 ZINC000480676080 564481638 /nfs/dbraw/zinc/48/16/38/564481638.db2.gz ASQPKYTUDJIITP-UHFFFAOYSA-N 1 0 393.322 2.859 20 0 GFADRO Cc1cc(F)c(Br)cc1S(=O)(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000480694186 564482468 /nfs/dbraw/zinc/48/24/68/564482468.db2.gz FLNCTUGEHFHVHL-FZMZJTMJSA-N 1 0 391.306 2.611 20 0 GFADRO C[N@@H+]1CC[C@](O)(CNC(=O)CCSc2ccnc3cc(Cl)ccc32)C1 ZINC000547295237 564483613 /nfs/dbraw/zinc/48/36/13/564483613.db2.gz VBDPOKHDPISLHA-SFHVURJKSA-N 1 0 379.913 2.553 20 0 GFADRO C[NH+]1CCC(CCNC(=O)NCc2cc(Br)cc3c2OCC3)CC1 ZINC000547313953 564483630 /nfs/dbraw/zinc/48/36/30/564483630.db2.gz FEZLHTWPUBQPQG-UHFFFAOYSA-N 1 0 396.329 2.915 20 0 GFADRO Cc1ccc(CC[NH2+]C[C@@H](O)COc2cc(F)cc(Br)c2)cn1 ZINC000569921344 564483888 /nfs/dbraw/zinc/48/38/88/564483888.db2.gz RCSZPNCTOWRTGB-MRXNPFEDSA-N 1 0 383.261 2.864 20 0 GFADRO O=C(Nc1nc(C(F)(F)F)cs1)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000569937645 564485201 /nfs/dbraw/zinc/48/52/01/564485201.db2.gz LSICUSMWKRKUDZ-NSHDSACASA-N 1 0 378.420 2.881 20 0 GFADRO COC(=O)c1ccc(Cl)cc1S(=O)(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000480791424 564488914 /nfs/dbraw/zinc/48/89/14/564488914.db2.gz YSWBFGDJVZWJPS-UHFFFAOYSA-N 1 0 388.917 2.527 20 0 GFADRO COc1ccc([C@H](C[NH+](C)C)NC(=O)c2cc[nH]c(=O)c2Br)cc1 ZINC000516199386 564495731 /nfs/dbraw/zinc/49/57/31/564495731.db2.gz CAPQLBFUVRLNBB-AWEZNQCLSA-N 1 0 394.269 2.591 20 0 GFADRO CC1(C)CCC[N@@H+]1CCNC(=O)C(=O)Nc1cc(Br)ccc1F ZINC000454069847 564495976 /nfs/dbraw/zinc/49/59/76/564495976.db2.gz OKJGGJROUNTONO-UHFFFAOYSA-N 1 0 386.265 2.517 20 0 GFADRO Cc1ccc(Br)c(NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C(C)C)C2)c1 ZINC000454106651 564498284 /nfs/dbraw/zinc/49/82/84/564498284.db2.gz QTMWPXYAXAGGEY-CYBMUJFWSA-N 1 0 382.302 2.637 20 0 GFADRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)Nc1ccc(Br)cc1 ZINC000516287931 564498731 /nfs/dbraw/zinc/49/87/31/564498731.db2.gz ZIXSMAMHAVAIDM-MCIONIFRSA-N 1 0 396.329 2.870 20 0 GFADRO [NH3+][C@@H]1CCC[C@H](CNC(=O)c2cc(=O)[nH]c3c(Br)cccc23)C1 ZINC000516288806 564498804 /nfs/dbraw/zinc/49/88/04/564498804.db2.gz ZHVGKRUMSVVXLX-WDEREUQCSA-N 1 0 378.270 2.950 20 0 GFADRO Cc1cc(C[C@@H](C)[NH2+]C[C@H](O)COc2cc(F)cc(Br)c2)[nH]n1 ZINC000516277060 564499012 /nfs/dbraw/zinc/49/90/12/564499012.db2.gz UCXSBJCULSRWNS-BMIGLBTASA-N 1 0 386.265 2.580 20 0 GFADRO O=C(Nc1cc(-c2cc(F)cc(Br)c2)[nH]n1)[C@@H]1CC12CC[NH2+]CC2 ZINC000570275489 564499173 /nfs/dbraw/zinc/49/91/73/564499173.db2.gz HOXMFGSSLCFDKN-ZDUSSCGKSA-N 1 0 393.260 3.307 20 0 GFADRO COc1ccc(S(=O)(=O)NC[C@@H](C)N2CCc3sccc3C2)c(F)c1 ZINC000481026072 564500521 /nfs/dbraw/zinc/50/05/21/564500521.db2.gz RROUQAYKYCNONP-GFCCVEGCSA-N 1 0 384.498 2.621 20 0 GFADRO Cc1cc(F)c(Br)cc1S(=O)(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000481057900 564501352 /nfs/dbraw/zinc/50/13/52/564501352.db2.gz KHVVHVFQXQPCRO-QWRGUYRKSA-N 1 0 379.295 2.658 20 0 GFADRO CCN(CCC[NH2+]C/C(C)=C\c1ccccc1OC(F)F)S(C)(=O)=O ZINC000570369279 564502827 /nfs/dbraw/zinc/50/28/27/564502827.db2.gz MKSSZCQSCZJGFH-OWBHPGMISA-N 1 0 376.469 2.953 20 0 GFADRO O=C(NCC1([NH+]2CCSCC2)CCCC1)N1CC[C@H](COC(F)F)C1 ZINC000481149017 564504254 /nfs/dbraw/zinc/50/42/54/564504254.db2.gz XQINLGPHCOXBJE-AWEZNQCLSA-N 1 0 377.501 2.619 20 0 GFADRO CC[NH+]1CCN(CC(C)(C)NC(=O)Nc2nc(C(F)(F)F)cs2)CC1 ZINC000454300038 564505747 /nfs/dbraw/zinc/50/57/47/564505747.db2.gz ILNSTIPTKLRFNJ-UHFFFAOYSA-N 1 0 379.452 2.700 20 0 GFADRO COC[C@]1(C(=O)NCCSCc2ccc(Cl)cc2Cl)CC[NH2+]C1 ZINC000516572477 564506301 /nfs/dbraw/zinc/50/63/01/564506301.db2.gz JHJYBKXGUHVIFB-INIZCTEOSA-N 1 0 377.337 2.969 20 0 GFADRO O=C(NC/C=C\c1ccc(Br)cc1)NCCCC[NH+]1CCOCC1 ZINC000454340593 564506324 /nfs/dbraw/zinc/50/63/24/564506324.db2.gz ZHIPGTOOFDDMRW-ARJAWSKDSA-N 1 0 396.329 2.874 20 0 GFADRO Cc1csc(C(=O)N[C@@H]2[C@@H](C)CC[NH2+][C@H]2C)c1I ZINC000516644850 564507866 /nfs/dbraw/zinc/50/78/66/564507866.db2.gz LWEFKHIFDKOJAO-OVYXKVPISA-N 1 0 378.279 2.777 20 0 GFADRO O=C(Nc1cc(Cl)cc(Cl)c1)[C@@H]1CCCN1C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000516916673 564515807 /nfs/dbraw/zinc/51/58/07/564515807.db2.gz HYOZVNGHZVEOQD-ZFWWWQNUSA-N 1 0 385.295 2.858 20 0 GFADRO CC(C)[C@H](O)CC[NH2+]C[C@H](O)COc1ccc(Cl)cc1Br ZINC000516927585 564516988 /nfs/dbraw/zinc/51/69/88/564516988.db2.gz RKVNPXWPDGNVBA-GXTWGEPZSA-N 1 0 380.710 2.839 20 0 GFADRO CC(C)[C@@H](O)CC[NH2+]C[C@H](O)COc1ccc(Cl)cc1Br ZINC000516927586 564517085 /nfs/dbraw/zinc/51/70/85/564517085.db2.gz RKVNPXWPDGNVBA-JSGCOSHPSA-N 1 0 380.710 2.839 20 0 GFADRO C[C@H](c1ncc(-c2ccc(Cl)cc2Cl)o1)[N@@H+]1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000517011479 564520937 /nfs/dbraw/zinc/52/09/37/564520937.db2.gz DBTIFDOLJSYYES-FXAINCCUSA-N 1 0 380.231 2.914 20 0 GFADRO O=C(C[NH2+][C@@H](c1cc(F)cc(Br)c1)C1CC1)NC(=O)NC1CC1 ZINC000481771457 564523203 /nfs/dbraw/zinc/52/32/03/564523203.db2.gz WATIUDZKEBYWRM-OAHLLOKOSA-N 1 0 384.249 2.617 20 0 GFADRO CCOC[C@@H](O)C[NH2+]CCOc1ccc(Br)cc1C(F)(F)F ZINC000570837165 564523350 /nfs/dbraw/zinc/52/33/50/564523350.db2.gz ORVGEVBOMJULHV-NSHDSACASA-N 1 0 386.208 2.834 20 0 GFADRO CC[C@@H]1C[N@H+](CC)CCN1C(=O)Nc1ccc(NS(C)(=O)=O)c(Cl)c1 ZINC000454845144 564524057 /nfs/dbraw/zinc/52/40/57/564524057.db2.gz CCESCXMNGNAMKE-CYBMUJFWSA-N 1 0 388.921 2.660 20 0 GFADRO CO[C@@H]1CCN(C(=O)CCCCOc2ccc(Br)cc2)[C@@H](C[NH3+])C1 ZINC000517125747 564525137 /nfs/dbraw/zinc/52/51/37/564525137.db2.gz ZCUPHIWAZUDLSB-NVXWUHKLSA-N 1 0 399.329 2.963 20 0 GFADRO C[C@@H](CNC(=O)NCc1ccc(I)c(Cl)c1)[NH+](C)C ZINC000454909594 564527677 /nfs/dbraw/zinc/52/76/77/564527677.db2.gz RCRQDIXXESKUQP-VIFPVBQESA-N 1 0 395.672 2.694 20 0 GFADRO CCCSc1nsc(NC(=O)NC(C)(C)CN2CC[NH+](CC)CC2)n1 ZINC000454956996 564529316 /nfs/dbraw/zinc/52/93/16/564529316.db2.gz ICGODMHRRASYCN-UHFFFAOYSA-N 1 0 386.591 2.578 20 0 GFADRO O=C(CCOC1C[NH2+]C1)Nc1ccc(Oc2cccc(Br)c2)nc1 ZINC000570958725 564529583 /nfs/dbraw/zinc/52/95/83/564529583.db2.gz QCNDOWANHPUQGJ-UHFFFAOYSA-N 1 0 392.253 2.953 20 0 GFADRO [NH3+][C@H]1CCC[C@@H](CNS(=O)(=O)c2cc(Br)ccc2Cl)C1 ZINC000570964234 564529813 /nfs/dbraw/zinc/52/98/13/564529813.db2.gz IPRHCSJTPZDVQS-KOLCDFICSA-N 1 0 381.723 2.898 20 0 GFADRO CC1(C)CC[C@H]([NH2+]CCN2C(=O)CNC2=O)c2cc(Br)ccc21 ZINC000481999558 564531447 /nfs/dbraw/zinc/53/14/47/564531447.db2.gz HFFBTHQKYXNWGV-AWEZNQCLSA-N 1 0 380.286 2.703 20 0 GFADRO O=S(=O)(Cc1cc(Cl)ccc1Br)NCC[C@H]1CC[NH2+]C1 ZINC000517369606 564532052 /nfs/dbraw/zinc/53/20/52/564532052.db2.gz AJQWJRVSAWQGMV-SNVBAGLBSA-N 1 0 381.723 2.522 20 0 GFADRO CC[NH+]1CCN(CC(=O)NCCc2c[nH]c3cc(Cl)cc(Cl)c23)CC1 ZINC000482031287 564532514 /nfs/dbraw/zinc/53/25/14/564532514.db2.gz MGAQHLJFOZRMOF-UHFFFAOYSA-N 1 0 383.323 2.771 20 0 GFADRO O=S1(=O)CC[C@@H]([NH2+][C@H]2CCc3c[nH]nc3C2)c2cc(Br)ccc21 ZINC000548154470 564533218 /nfs/dbraw/zinc/53/32/18/564533218.db2.gz HVOLVTGCCDKJKZ-GXTWGEPZSA-N 1 0 396.310 2.538 20 0 GFADRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNS(=O)(=O)c1cc2c(cc1Cl)OCCO2 ZINC000517414990 564533936 /nfs/dbraw/zinc/53/39/36/564533936.db2.gz NBFFTQZKSCRNPM-BETUJISGSA-N 1 0 388.917 2.652 20 0 GFADRO N[C@](C(=O)N1CC[C@H]([NH+]2CCCC2)C1)(c1cccc(Cl)c1)C(F)(F)F ZINC000548192532 564535211 /nfs/dbraw/zinc/53/52/11/564535211.db2.gz NYYXOACCOKMDCW-HOCLYGCPSA-N 1 0 375.822 2.753 20 0 GFADRO Cc1cc(F)c(NC(=O)NC[C@@H]2CC[N@@H+](C)C2)c(I)c1 ZINC000455083632 564536004 /nfs/dbraw/zinc/53/60/04/564536004.db2.gz UVUGEWGKDOVOMS-JTQLQIEISA-N 1 0 391.228 2.812 20 0 GFADRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(=O)c3cc(Br)ccc3[nH]2)C1 ZINC000517698689 564540528 /nfs/dbraw/zinc/54/05/28/564540528.db2.gz FHNOQZWTRYWKOE-CYBMUJFWSA-N 1 0 392.297 2.845 20 0 GFADRO Cc1nc(-c2cc([C@@H](C)[NH2+]CCC(=O)N3CCN(C)CC3)cs2)cs1 ZINC000482432258 564542850 /nfs/dbraw/zinc/54/28/50/564542850.db2.gz AEWOOPXZUGKNQN-CYBMUJFWSA-N 1 0 378.567 2.995 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)c2ccccc2-n2cc(Br)cn2)C[N@@H+]1C1CC1 ZINC000571273499 564543605 /nfs/dbraw/zinc/54/36/05/564543605.db2.gz RCPAXOUJSQHJKW-TZMCWYRMSA-N 1 0 389.297 2.990 20 0 GFADRO O=C(CC[N@@H+]1C[C@H](O)C[C@@H]1[C@@H]1CCCOC1)Nc1cccc(Br)c1 ZINC000571274438 564543666 /nfs/dbraw/zinc/54/36/66/564543666.db2.gz JLOOWBQTIBXXHW-KBRIMQKVSA-N 1 0 397.313 2.640 20 0 GFADRO CN1CC[NH+](CCCCNC(=O)c2cc(Cl)ccc2Br)CC1 ZINC000518052936 564544804 /nfs/dbraw/zinc/54/48/04/564544804.db2.gz QCDNXRVLWIEBFA-UHFFFAOYSA-N 1 0 388.737 2.860 20 0 GFADRO C[N@H+](CCCCNC(=O)Nc1cc2ccc(Br)cn2n1)C1CC1 ZINC000455238703 564545031 /nfs/dbraw/zinc/54/50/31/564545031.db2.gz CADDWAPBKCTQOV-UHFFFAOYSA-N 1 0 380.290 3.093 20 0 GFADRO CC[NH+](CC)CC1CCN(C(=O)C(=O)Nc2ccc(Br)cc2)CC1 ZINC000518085049 564546160 /nfs/dbraw/zinc/54/61/60/564546160.db2.gz OXLBPNLTKRRLEV-UHFFFAOYSA-N 1 0 396.329 2.968 20 0 GFADRO O=C(CSCc1ccc(Br)cc1F)N[C@@H]1C[NH2+]CCC1(F)F ZINC000518183370 564547794 /nfs/dbraw/zinc/54/77/94/564547794.db2.gz DHKIRSCLCRGHEF-GFCCVEGCSA-N 1 0 397.260 2.935 20 0 GFADRO CO[C@H]1C[C@@H](CN(C)C(=O)NC/C=C/c2ccc(Br)cc2)[N@H+](C)C1 ZINC000455324618 564548503 /nfs/dbraw/zinc/54/85/03/564548503.db2.gz JGGMIDMFKSKXKC-XLYSIVADSA-N 1 0 396.329 2.823 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]1C1CCN(C(=O)NCCSc2ccc(Cl)cc2)CC1 ZINC000518343794 564550342 /nfs/dbraw/zinc/55/03/42/564550342.db2.gz CLNVECLLBSFJPH-SJORKVTESA-N 1 0 383.945 2.970 20 0 GFADRO CC[NH+](CC)CC(=O)N1CCN(Cc2cc(F)cc(Br)c2)CC1 ZINC000482951586 564553691 /nfs/dbraw/zinc/55/36/91/564553691.db2.gz RZIBZCXEZYXXRX-UHFFFAOYSA-N 1 0 386.309 2.574 20 0 GFADRO CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)NC[C@H](C)[NH+](C)C ZINC000455447021 564554095 /nfs/dbraw/zinc/55/40/95/564554095.db2.gz YIGNWWPASWYACB-NSHDSACASA-N 1 0 375.300 2.914 20 0 GFADRO COC(=O)c1cc(NC(=O)N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)c(C)cc1Br ZINC000455437455 564554374 /nfs/dbraw/zinc/55/43/74/564554374.db2.gz TXVUREVXYGYGIX-XHDPSFHLSA-N 1 0 396.285 2.712 20 0 GFADRO CC(C)C[C@](C)([NH2+]CCNS(C)(=O)=O)c1cccc(Br)c1 ZINC000483052522 564557426 /nfs/dbraw/zinc/55/74/26/564557426.db2.gz SQLQZBOPKQWZFW-HNNXBMFYSA-N 1 0 377.348 2.849 20 0 GFADRO C[C@@H]([NH3+])[C@@H](C)NC(=O)Cc1ccc(NC(=O)c2ccc(Br)o2)cc1 ZINC000571561451 564557522 /nfs/dbraw/zinc/55/75/22/564557522.db2.gz YPQIRRGWWGCBHN-GHMZBOCLSA-N 1 0 394.269 2.689 20 0 GFADRO O=C(c1ccc(I)cn1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000455557277 564557582 /nfs/dbraw/zinc/55/75/82/564557582.db2.gz RQHYWPBDNFLZDG-AWEZNQCLSA-N 1 0 399.276 2.777 20 0 GFADRO CCOC(=O)COCC[NH+]1CCC(Oc2cccc(Br)c2)CC1 ZINC000571601784 564558373 /nfs/dbraw/zinc/55/83/73/564558373.db2.gz BOARKOVMLPSUFM-UHFFFAOYSA-N 1 0 386.286 2.872 20 0 GFADRO O[C@H](COc1ccc(Br)cc1)CN1CC[C@H]([NH+]2CCCCC2)C1 ZINC000518627359 564558583 /nfs/dbraw/zinc/55/85/83/564558583.db2.gz PBQHASNWNMKMQZ-IRXDYDNUSA-N 1 0 383.330 2.749 20 0 GFADRO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)c1ccc(-n2cc(Br)cn2)cc1 ZINC000571634891 564560020 /nfs/dbraw/zinc/56/00/20/564560020.db2.gz ONIDVWZQXCWQPO-CJNGLKHVSA-N 1 0 377.286 2.882 20 0 GFADRO COCC[N@H+](C)CCCNC(=O)Nc1ccc(Br)c(C2CC2)n1 ZINC000455617395 564560697 /nfs/dbraw/zinc/56/06/97/564560697.db2.gz GWRIHCKXVWSZOQ-UHFFFAOYSA-N 1 0 385.306 2.811 20 0 GFADRO O=C(NCCC[NH+]1CCCC1)Nc1ccn(-c2ccc(Br)cc2)n1 ZINC000455629915 564561616 /nfs/dbraw/zinc/56/16/16/564561616.db2.gz RQRXSYMYLNMSHG-UHFFFAOYSA-N 1 0 392.301 3.242 20 0 GFADRO O=C([C@H]1C[N@@H+]2CCN1CCC2)N1CCC[C@@H]1c1cccc(Br)c1 ZINC000483248370 564561704 /nfs/dbraw/zinc/56/17/04/564561704.db2.gz VTRSSASZTYRMOG-IAGOWNOFSA-N 1 0 378.314 2.503 20 0 GFADRO O=S(=O)(c1cc(F)ccc1Br)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000518770332 564561971 /nfs/dbraw/zinc/56/19/71/564561971.db2.gz QBUPXEFIZUCQCK-GFCCVEGCSA-N 1 0 391.306 2.598 20 0 GFADRO C[NH+](C)CCN(C(=O)c1ccc(I)cn1)C1CCCC1 ZINC000455641104 564562219 /nfs/dbraw/zinc/56/22/19/564562219.db2.gz PURNVEXMBZYKDX-UHFFFAOYSA-N 1 0 387.265 2.633 20 0 GFADRO COc1ccc(Br)c(C(=O)NCCC[NH2+][C@H](C)[C@@H]2CCCO2)c1 ZINC000518834249 564563363 /nfs/dbraw/zinc/56/33/63/564563363.db2.gz WDVUKGUVFXZITI-WBMJQRKESA-N 1 0 385.302 2.735 20 0 GFADRO CC[N@H+]1C[C@@H](C)N(C(=O)Cc2cccc(I)c2)[C@@H](C)C1 ZINC000518829011 564563984 /nfs/dbraw/zinc/56/39/84/564563984.db2.gz VSNLMRRCUVTWJZ-BETUJISGSA-N 1 0 386.277 2.775 20 0 GFADRO CC[N@H+](CCO)CCNC(=O)Nc1cc(C(F)(F)F)ccc1Br ZINC000483347920 564564936 /nfs/dbraw/zinc/56/49/36/564564936.db2.gz DUQYZZCUAJJNBP-UHFFFAOYSA-N 1 0 398.223 2.904 20 0 GFADRO O=C(c1ccc(I)cn1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000455718390 564566502 /nfs/dbraw/zinc/56/65/02/564566502.db2.gz RZSFEQRONGKHLI-AWEZNQCLSA-N 1 0 399.276 2.777 20 0 GFADRO COCC[NH2+]C1CCN(C(=O)c2ccc(Cl)cc2Br)CC1 ZINC000571771639 564566644 /nfs/dbraw/zinc/56/66/44/564566644.db2.gz KGIKPFSIFQMFTG-UHFFFAOYSA-N 1 0 375.694 2.943 20 0 GFADRO COc1ccc(C(=O)C(=O)N2C[C@@H]([NH+]3CCCC3)[C@@H](SC)C2)cc1Cl ZINC000483410421 564567139 /nfs/dbraw/zinc/56/71/39/564567139.db2.gz QLWHPWOECBQILX-ZBFHGGJFSA-N 1 0 382.913 2.570 20 0 GFADRO C[N@@H+]1CC[C@@](O)(CNC(=O)Nc2cc(C(F)(F)F)ccc2Br)C1 ZINC000483404394 564567190 /nfs/dbraw/zinc/56/71/90/564567190.db2.gz SOUOYEIEYIHFLW-CYBMUJFWSA-N 1 0 396.207 2.656 20 0 GFADRO CC(C)(CC[NH2+]CCC(=O)Nc1ccc(Br)cc1)S(C)(=O)=O ZINC000519142098 564570051 /nfs/dbraw/zinc/57/00/51/564570051.db2.gz YRVXDPGPLDTOEC-UHFFFAOYSA-N 1 0 391.331 2.581 20 0 GFADRO CO[C@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1ccc(I)cc1 ZINC000483691041 564572818 /nfs/dbraw/zinc/57/28/18/564572818.db2.gz IDTOLUUQBHWANP-KGLIPLIRSA-N 1 0 388.249 2.777 20 0 GFADRO OC[C@H]([NH2+]Cc1ccc(OC(F)F)c(Br)c1)C1CCOCC1 ZINC000571915333 564572928 /nfs/dbraw/zinc/57/29/28/564572928.db2.gz ZBVMKKUYPTUURN-ZDUSSCGKSA-N 1 0 380.229 2.928 20 0 GFADRO CNC(=O)c1cccc(NC(=O)NC[C@@H]2CC[N@@H+](C(C)C)C2)c1Br ZINC000548784337 564574581 /nfs/dbraw/zinc/57/45/81/564574581.db2.gz NXZPJRVZMOCQHX-LBPRGKRZSA-N 1 0 397.317 2.661 20 0 GFADRO O=c1cc(C[NH2+][C@@H]2CCCC23CCOCC3)nc2ccc(Br)cn12 ZINC000548800553 564575863 /nfs/dbraw/zinc/57/58/63/564575863.db2.gz FOOHABQSQAKJOZ-OAHLLOKOSA-N 1 0 392.297 2.896 20 0 GFADRO CN(C)c1cc(NC(=O)NCCCC[N@H+](C)C2CC2)ncc1Br ZINC000455866821 564576551 /nfs/dbraw/zinc/57/65/51/564576551.db2.gz NTKSZNVLYQZEHB-UHFFFAOYSA-N 1 0 384.322 2.906 20 0 GFADRO O=C(N[C@@H]1COc2cc(F)c(Br)cc21)N1CC[NH+]2CCC1CC2 ZINC000572007343 564577007 /nfs/dbraw/zinc/57/70/07/564577007.db2.gz SQKFJQFHTXXVAV-CQSZACIVSA-N 1 0 384.249 2.511 20 0 GFADRO C[C@H]1C[C@@H](NC(=O)C(=O)Nc2cccc(Cl)c2Br)CC[N@@H+]1C ZINC000483891190 564577046 /nfs/dbraw/zinc/57/70/46/564577046.db2.gz AOEUVEKOIXEKAF-UWVGGRQHSA-N 1 0 388.693 2.640 20 0 GFADRO COc1cc(Br)c(S(=O)(=O)N[C@@H](C)C[C@H](C)[NH3+])cc1Cl ZINC000572037709 564579203 /nfs/dbraw/zinc/57/92/03/564579203.db2.gz CHIAXPLBVIXWNV-YUMQZZPRSA-N 1 0 385.711 2.515 20 0 GFADRO COc1cc(Br)c(S(=O)(=O)N[C@H](C)C[C@@H](C)[NH3+])cc1Cl ZINC000572037705 564579291 /nfs/dbraw/zinc/57/92/91/564579291.db2.gz CHIAXPLBVIXWNV-HTQZYQBOSA-N 1 0 385.711 2.515 20 0 GFADRO COc1cc([C@@H](C)[NH2+]C[C@@H]2CCN(S(=O)(=O)c3cccs3)C2)ccn1 ZINC000519541322 564580649 /nfs/dbraw/zinc/58/06/49/564580649.db2.gz CFOHSSBGCPLNFJ-KGLIPLIRSA-N 1 0 381.523 2.513 20 0 GFADRO CN(C)CC[N@H+](C)CCCNS(=O)(=O)c1ccc(Cl)c2ccccc21 ZINC000519561978 564580811 /nfs/dbraw/zinc/58/08/11/564580811.db2.gz UXLKOGHNGIANDR-UHFFFAOYSA-N 1 0 383.945 2.655 20 0 GFADRO CC(C)[N@@H+]1CC[C@H](CNC(=O)NCC(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000548914653 564581429 /nfs/dbraw/zinc/58/14/29/564581429.db2.gz VBBAHYCTRSQSED-GFCCVEGCSA-N 1 0 387.311 2.961 20 0 GFADRO C[C@@H](Cn1ccnc1)[NH2+]C[C@H](O)COc1ccc(Cl)cc1Br ZINC000572148956 564583679 /nfs/dbraw/zinc/58/36/79/564583679.db2.gz LLCABOVFVDQZAH-AAEUAGOBSA-N 1 0 388.693 2.717 20 0 GFADRO CNS(=O)(=O)CCC[NH2+][C@H]1CCN(C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000549036816 564584655 /nfs/dbraw/zinc/58/46/55/564584655.db2.gz SHPAXZVCGVULBR-DLBZAZTESA-N 1 0 391.940 2.532 20 0 GFADRO CC(C)[N@H+](CCOCCO)CC(=O)N[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000549077057 564585603 /nfs/dbraw/zinc/58/56/03/564585603.db2.gz ABCBEEQRLKHTGS-CYBMUJFWSA-N 1 0 377.312 2.890 20 0 GFADRO C[C@@H](CCO)C1(C[NH2+]C[C@H](O)COc2ccc(Br)cc2)CCC1 ZINC000572243229 564586722 /nfs/dbraw/zinc/58/67/22/564586722.db2.gz RHMYGGXLHONCIQ-HOCLYGCPSA-N 1 0 386.330 2.967 20 0 GFADRO CC(C)[N@@H+]1CC[C@H](CNc2cnn(-c3ccccn3)c(=O)c2Br)C1 ZINC000549133491 564587032 /nfs/dbraw/zinc/58/70/32/564587032.db2.gz GSQJCVBQBHEUFT-CYBMUJFWSA-N 1 0 392.301 2.532 20 0 GFADRO CS(=O)(=O)CC1(C[NH2+]C[C@H](O)COc2ccc(Cl)cc2Cl)CCC1 ZINC000519697907 564588013 /nfs/dbraw/zinc/58/80/13/564588013.db2.gz JWOKMGPLXWESBR-ZDUSSCGKSA-N 1 0 396.336 2.538 20 0 GFADRO CCS(=O)(=O)N1CC(C[NH2+]C/C(C)=C/c2cccc(C(F)(F)F)c2)C1 ZINC000572318824 564589616 /nfs/dbraw/zinc/58/96/16/564589616.db2.gz ZCYDMMQIHVCBHY-NTUHNPAUSA-N 1 0 376.444 2.980 20 0 GFADRO C[NH+](C)CCOC1CCN(C(=O)NCCc2ccccc2Br)CC1 ZINC000519860339 564594277 /nfs/dbraw/zinc/59/42/77/564594277.db2.gz RKAGBQHKJNTHST-UHFFFAOYSA-N 1 0 398.345 2.744 20 0 GFADRO COCC[NH+]1CCC(NC(=O)CCOc2ccc(Cl)c(Cl)c2)CC1 ZINC000520167055 564597691 /nfs/dbraw/zinc/59/76/91/564597691.db2.gz BMQPQABZSMURAE-UHFFFAOYSA-N 1 0 375.296 2.989 20 0 GFADRO Cc1c(Br)cccc1NC(=O)C(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000484820568 564599481 /nfs/dbraw/zinc/59/94/81/564599481.db2.gz MBOZRILAUDARFP-UHFFFAOYSA-N 1 0 396.329 2.934 20 0 GFADRO Cc1ccc(NC(=O)C(=O)NCC(C)(C)C[NH+]2CCCC2)cc1Br ZINC000484808868 564599587 /nfs/dbraw/zinc/59/95/87/564599587.db2.gz IAUXXJPXUFMBSL-UHFFFAOYSA-N 1 0 396.329 2.934 20 0 GFADRO Cc1n[nH]cc1C(=O)Nc1cc(Br)ccc1N1CC[N@@H+](C)C[C@H]1C ZINC000456363635 564602600 /nfs/dbraw/zinc/60/26/00/564602600.db2.gz FOIIXIKPOLHFEV-LLVKDONJSA-N 1 0 392.301 2.873 20 0 GFADRO CCOCCC(=O)Nc1cc(Br)ccc1N1CC[N@H+](C)C[C@H]1C ZINC000456377200 564603469 /nfs/dbraw/zinc/60/34/69/564603469.db2.gz SYDIVEDSOQTHRO-CYBMUJFWSA-N 1 0 384.318 2.955 20 0 GFADRO [NH3+]CCCOC1CCN([C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)CC1 ZINC000520584229 564608453 /nfs/dbraw/zinc/60/84/53/564608453.db2.gz HTMJTXJMNPJIJP-QGZVFWFLSA-N 1 0 386.323 2.929 20 0 GFADRO Cc1ccc(C[C@@H](CO)CNC(=O)[C@H]2CCC[N@@H+]2C2CC2)cc1Br ZINC000456488084 564611428 /nfs/dbraw/zinc/61/14/28/564611428.db2.gz JDBKUARQDCGQJT-CRAIPNDOSA-N 1 0 395.341 2.652 20 0 GFADRO O=C(CC[NH2+][C@@H](CCO)C1CCOCC1)Nc1cccc(Br)c1 ZINC000520754583 564612170 /nfs/dbraw/zinc/61/21/70/564612170.db2.gz HIEISOILBFDMOF-INIZCTEOSA-N 1 0 385.302 2.545 20 0 GFADRO CCC[C@H](C(=O)NC[C@@H](CO)Cc1cc(Br)ccc1F)[NH+](C)C ZINC000456497206 564613302 /nfs/dbraw/zinc/61/33/02/564613302.db2.gz YQCPNVKLOYJMEW-BLLLJJGKSA-N 1 0 389.309 2.586 20 0 GFADRO O[C@@H](C[NH2+][C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1)C(F)(F)F ZINC000572870619 564613736 /nfs/dbraw/zinc/61/37/36/564613736.db2.gz XHGVZGUBNITWNL-WPRPVWTQSA-N 1 0 377.716 2.845 20 0 GFADRO COc1cc(Br)c(S(=O)(=O)NCCC[NH2+]C(C)C)cc1Cl ZINC000520811155 564613893 /nfs/dbraw/zinc/61/38/93/564613893.db2.gz BDWTZIOOVDYOMH-UHFFFAOYSA-N 1 0 399.738 2.778 20 0 GFADRO OC[C@]1([C@@H]([NH2+]Cc2cc3c(cc2Br)OCCO3)C2CC2)CCCO1 ZINC000550140684 564615603 /nfs/dbraw/zinc/61/56/03/564615603.db2.gz JQWLMYFILTZAQP-ROUUACIJSA-N 1 0 398.297 2.630 20 0 GFADRO C[NH+](C)[C@]1(CNC(=O)Cc2ccc(F)cc2Br)CCSC1 ZINC000485462233 564616073 /nfs/dbraw/zinc/61/60/73/564616073.db2.gz INIKTGCTCWMQKP-HNNXBMFYSA-N 1 0 375.307 2.684 20 0 GFADRO C[C@H]([NH2+]CCOCC1CCC1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000520943115 564616451 /nfs/dbraw/zinc/61/64/51/564616451.db2.gz KQZRQBUMAXHIGJ-NSHDSACASA-N 1 0 391.331 2.564 20 0 GFADRO C[C@H]1CN(C(=O)Nc2ccc(I)cc2F)CC[C@@H]1[NH3+] ZINC000573021698 564620006 /nfs/dbraw/zinc/62/00/06/564620006.db2.gz ICKYPVFGKZDRAN-KWQFWETISA-N 1 0 377.201 2.631 20 0 GFADRO O=C(CC[NH2+]C1CC1)N1CCC(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000573019413 564620071 /nfs/dbraw/zinc/62/00/71/564620071.db2.gz XHMMUPYTWIATGP-UHFFFAOYSA-N 1 0 394.313 2.768 20 0 GFADRO C[C@H](c1ccc(Cl)cc1)N1CCN(C(=O)C[N@H+](C)[C@@H]2CCSC2)CC1 ZINC000485587795 564620527 /nfs/dbraw/zinc/62/05/27/564620527.db2.gz AFUBGWSZOGYDGT-CRAIPNDOSA-N 1 0 381.973 2.983 20 0 GFADRO CC[NH+](CC)CCNC(=O)C(=O)N1CCC[C@H]1c1cccc(Br)c1 ZINC000550327857 564620574 /nfs/dbraw/zinc/62/05/74/564620574.db2.gz ACAGRHBBPOPCRU-INIZCTEOSA-N 1 0 396.329 2.571 20 0 GFADRO O=S(=O)(c1cccc(Br)c1F)N1CCCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000521218743 564622047 /nfs/dbraw/zinc/62/20/47/564622047.db2.gz WIWOAXUKVFYSBE-OLZOCXBDSA-N 1 0 391.306 2.883 20 0 GFADRO O=C(CCOC1C[NH2+]C1)Nc1nc(-c2ccc(Br)cc2)cs1 ZINC000573083021 564622505 /nfs/dbraw/zinc/62/25/05/564622505.db2.gz BECPZEFURMTEGX-UHFFFAOYSA-N 1 0 382.283 2.890 20 0 GFADRO CC(C)(C)[N@@H+]1CCCN(C(=O)C(=O)NCc2cccc(Cl)c2Cl)CC1 ZINC000550417438 564623184 /nfs/dbraw/zinc/62/31/84/564623184.db2.gz NAVRIHKCSCSEDC-UHFFFAOYSA-N 1 0 386.323 2.942 20 0 GFADRO COC(=O)c1cc(C[NH2+][C@@H]2CCN(c3cccc(Br)c3)C2)cn1C ZINC000573140248 564624111 /nfs/dbraw/zinc/62/41/11/564624111.db2.gz GTVOZCPYCGMUPV-OAHLLOKOSA-N 1 0 392.297 2.943 20 0 GFADRO CCN(CC)S(=O)(=O)c1ccc(CC[NH2+]C[C@@H](O)CC2CCCC2)s1 ZINC000521426895 564626415 /nfs/dbraw/zinc/62/64/15/564626415.db2.gz STIYRNRNPXQAQB-INIZCTEOSA-N 1 0 388.599 2.852 20 0 GFADRO [NH3+]C[C@H]1CCCCN1C(=O)NCCNc1ncc(C(F)(F)F)cc1Cl ZINC000573189608 564627256 /nfs/dbraw/zinc/62/72/56/564627256.db2.gz FNYMCENQVYDPCM-LLVKDONJSA-N 1 0 379.814 2.689 20 0 GFADRO C[N@@H+]1CCC[C@@]2(CCN(S(=O)(=O)c3cccc4c(Cl)ccnc43)C2)C1 ZINC000573197511 564627520 /nfs/dbraw/zinc/62/75/20/564627520.db2.gz CBGJRYFOQJXUEZ-GOSISDBHSA-N 1 0 379.913 2.995 20 0 GFADRO C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)NCCc2cc(Cl)cc(Cl)c2)C1 ZINC000550654328 564628879 /nfs/dbraw/zinc/62/88/79/564628879.db2.gz UEMOWRVRODGIAH-CYBMUJFWSA-N 1 0 386.323 2.500 20 0 GFADRO COc1cc(I)c(Cl)cc1C(=O)NC(C)(C)CC[NH3+] ZINC000573235765 564629050 /nfs/dbraw/zinc/62/90/50/564629050.db2.gz NQTCAXDDVHAWRH-UHFFFAOYSA-N 1 0 396.656 2.810 20 0 GFADRO COc1cc(C(=O)N2CC[C@H]3CC[N@H+](C)C[C@H]32)cc(Br)c1OC ZINC000550792958 564631636 /nfs/dbraw/zinc/63/16/36/564631636.db2.gz FSROKBDQTMITFT-BXUZGUMPSA-N 1 0 383.286 2.633 20 0 GFADRO COc1ccsc1S(=O)(=O)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000521624445 564632420 /nfs/dbraw/zinc/63/24/20/564632420.db2.gz AUZYYXACBFNFNL-DZGCQCFKSA-N 1 0 384.498 2.567 20 0 GFADRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNS(=O)(=O)c1ccccc1Br ZINC000521691866 564634283 /nfs/dbraw/zinc/63/42/83/564634283.db2.gz ZDZTXUXKFQTOJP-CHWSQXEVSA-N 1 0 375.332 2.990 20 0 GFADRO CS(=O)(=O)[C@@H]1CCC[C@@H]([NH2+][C@@H]2CC(=O)N(c3ccc(Cl)c(F)c3)C2)C1 ZINC000550938437 564634320 /nfs/dbraw/zinc/63/43/20/564634320.db2.gz VUAUWSJOTYPBDO-YRGRVCCFSA-N 1 0 388.892 2.530 20 0 GFADRO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]Cc1ccccc1-n1cccn1 ZINC000550940322 564634572 /nfs/dbraw/zinc/63/45/72/564634572.db2.gz UFZUNPXDWARSSQ-AWEZNQCLSA-N 1 0 387.281 2.975 20 0 GFADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)NCc3c(Cl)cccc3Cl)CC[C@H]21 ZINC000551111439 564638040 /nfs/dbraw/zinc/63/80/40/564638040.db2.gz LHJVAMZDPBHTJN-MLGOLLRUSA-N 1 0 384.307 2.552 20 0 GFADRO C[C@H]1CN(C(=O)c2cc(Br)cs2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000486078367 564638321 /nfs/dbraw/zinc/63/83/21/564638321.db2.gz VAZWCDWFIUPJML-JSGCOSHPSA-N 1 0 386.359 2.609 20 0 GFADRO C[N@@H+]1CCC[C@H](CNC(=O)c2ccc(I)cc2F)C1 ZINC000521969917 564640173 /nfs/dbraw/zinc/64/01/73/564640173.db2.gz IOHNRYZOQUXCJS-SNVBAGLBSA-N 1 0 376.213 2.502 20 0 GFADRO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)Nc1ccnn1Cc1cccc(Br)c1 ZINC000486186423 564642837 /nfs/dbraw/zinc/64/28/37/564642837.db2.gz BDMUFFJAPQIWMN-WFASDCNBSA-N 1 0 377.286 2.830 20 0 GFADRO CN(Cc1ccc(Cl)s1)C(=O)C[N@@H+]1CCC[C@H](C(=O)N2CCCC2)C1 ZINC000522096761 564644507 /nfs/dbraw/zinc/64/45/07/564644507.db2.gz UJJKGKBOBNOXFK-AWEZNQCLSA-N 1 0 383.945 2.694 20 0 GFADRO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@@H](c1cccs1)N(C)C ZINC000551265967 564644917 /nfs/dbraw/zinc/64/49/17/564644917.db2.gz ROEFINMMMMZKRU-JSGCOSHPSA-N 1 0 384.343 2.953 20 0 GFADRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)CCNC(=O)c2ccc(Br)cc2)C1 ZINC000457080470 564645016 /nfs/dbraw/zinc/64/50/16/564645016.db2.gz FZYYFGNDGCADMS-MRXNPFEDSA-N 1 0 396.329 2.510 20 0 GFADRO COc1ccc(Cl)cc1S(=O)(=O)NC[C@H](Cc1ccccc1)[NH+](C)C ZINC000486253449 564645100 /nfs/dbraw/zinc/64/51/00/564645100.db2.gz GCQKPURQQVRRMY-INIZCTEOSA-N 1 0 382.913 2.800 20 0 GFADRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)Cc2ccccc2I)C1 ZINC000457100228 564646039 /nfs/dbraw/zinc/64/60/39/564646039.db2.gz WHPBLFFUWVIUQJ-AWEZNQCLSA-N 1 0 386.277 2.775 20 0 GFADRO CCOC(=O)CC[C@H](O)C[NH2+]Cc1nc2cc(Br)ccc2n1CC ZINC000573597891 564646565 /nfs/dbraw/zinc/64/65/65/564646565.db2.gz XTGZEOXDBORXIO-ZDUSSCGKSA-N 1 0 398.301 2.613 20 0 GFADRO CC[NH+](CC)CCS(=O)(=O)NC[C@@H](c1ccccc1Cl)N1CCCC1 ZINC000573648286 564648116 /nfs/dbraw/zinc/64/81/16/564648116.db2.gz WTRFLCAIVATQLK-SFHVURJKSA-N 1 0 387.977 2.738 20 0 GFADRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(Br)c3c(c2)OCCO3)C1 ZINC000457137078 564649617 /nfs/dbraw/zinc/64/96/17/564649617.db2.gz WWQTWEXIBVEYFV-CYBMUJFWSA-N 1 0 383.286 2.775 20 0 GFADRO C[N@@H+]1CC[C@]2(CCN(C(=O)NCc3nc4c(cccc4Br)[nH]3)C2)C1 ZINC000573686456 564649756 /nfs/dbraw/zinc/64/97/56/564649756.db2.gz ZXLKNJGYNMXAEB-KRWDZBQOSA-N 1 0 392.301 2.563 20 0 GFADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)Nc1cc(Br)c(C)cc1C ZINC000486403363 564651826 /nfs/dbraw/zinc/65/18/26/564651826.db2.gz LFSPUCMSWKKQGD-ZDUSSCGKSA-N 1 0 384.318 2.851 20 0 GFADRO C[N@H+](CCCCNC(=O)c1csc(I)c1)C1CC1 ZINC000457204944 564652616 /nfs/dbraw/zinc/65/26/16/564652616.db2.gz QPPDVSPPTGFPOT-UHFFFAOYSA-N 1 0 378.279 2.957 20 0 GFADRO COc1cc(Br)ccc1CNC(=O)N1CC[N@H+](C)[C@H](C(C)C)C1 ZINC000486488041 564653815 /nfs/dbraw/zinc/65/38/15/564653815.db2.gz NCXOXAVDIPCJDV-HNNXBMFYSA-N 1 0 384.318 2.939 20 0 GFADRO Cc1ccc(CC[NH2+][C@H](C)c2ccc(Br)c(S(N)(=O)=O)c2)o1 ZINC000573873778 564657670 /nfs/dbraw/zinc/65/76/70/564657670.db2.gz CYMXKHJQQBUWRN-LLVKDONJSA-N 1 0 387.299 2.891 20 0 GFADRO C[C@H]1CCN(C(=O)c2nn(-c3ccc(F)cc3)cc2Br)[C@@H](C)[C@H]1[NH3+] ZINC000457363428 564658532 /nfs/dbraw/zinc/65/85/32/564658532.db2.gz KMWVMJWUJQZEGS-PGUXBMHVSA-N 1 0 395.276 2.972 20 0 GFADRO O=C(NCCC[NH+]1CCN(c2ccccc2)CC1)c1cc(Br)co1 ZINC000457433411 564660562 /nfs/dbraw/zinc/66/05/62/564660562.db2.gz KGGGFTPJTBZFFL-UHFFFAOYSA-N 1 0 392.297 2.984 20 0 GFADRO C[N@@H+]1CC[C@H]2CCN(S(=O)(=O)c3ccc(Br)c(Cl)c3)[C@@H]2C1 ZINC000486654140 564661105 /nfs/dbraw/zinc/66/11/05/564661105.db2.gz GAKKBGLJKAYNCZ-IINYFYTJSA-N 1 0 393.734 2.817 20 0 GFADRO CC(C)[N@@H+]1CC[C@H](CNC(=O)c2cc(F)ccc2I)C1 ZINC000523073221 564661256 /nfs/dbraw/zinc/66/12/56/564661256.db2.gz QVBXXZJEJDYHLI-LLVKDONJSA-N 1 0 390.240 2.890 20 0 GFADRO C[N@@H+]1CC[C@@H]2CCN(S(=O)(=O)c3ccc(Br)c(Cl)c3)[C@H]2C1 ZINC000486654143 564661277 /nfs/dbraw/zinc/66/12/77/564661277.db2.gz GAKKBGLJKAYNCZ-YGRLFVJLSA-N 1 0 393.734 2.817 20 0 GFADRO Cc1cc(N2C[C@H](C(=O)NCC[N@@H+](C)C(C)C)CC2=O)ccc1Br ZINC000523205702 564662853 /nfs/dbraw/zinc/66/28/53/564662853.db2.gz OVDHMFRXDXSARI-CQSZACIVSA-N 1 0 396.329 2.567 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C1CC1)c1ccc(I)cc1 ZINC000551811507 564664552 /nfs/dbraw/zinc/66/45/52/564664552.db2.gz DFBZRWRCNUWBKJ-JJMVLAAESA-N 1 0 384.261 2.999 20 0 GFADRO C[C@H]([NH2+]C[C@@H]1CC(=O)N(C)[C@H]1c1nccn1C)c1ncc(Br)s1 ZINC000551817120 564665118 /nfs/dbraw/zinc/66/51/18/564665118.db2.gz FXSWRZZKZWPVMR-OUJBWJOFSA-N 1 0 398.330 2.509 20 0 GFADRO Cc1cc(Br)c(C(=O)N2CCC([N@H+](C)CCCO)CC2)s1 ZINC000457675326 564669453 /nfs/dbraw/zinc/66/94/53/564669453.db2.gz QWNKLKFXKKIOPC-UHFFFAOYSA-N 1 0 375.332 2.738 20 0 GFADRO COc1c(Cl)cc(NC(=O)C(=O)NCC[NH+]2CCC(C)CC2)cc1Cl ZINC000523631724 564670263 /nfs/dbraw/zinc/67/02/63/564670263.db2.gz ZOGLDIGHVXVHLW-UHFFFAOYSA-N 1 0 388.295 2.789 20 0 GFADRO C[C@@H]([NH2+][C@H](CO)C1CCOCC1)c1ccccc1I ZINC000574428745 564673656 /nfs/dbraw/zinc/67/36/56/564673656.db2.gz CWQJFUJUNQXGML-IAQYHMDHSA-N 1 0 375.250 2.729 20 0 GFADRO Cc1cc(C)c(Br)c(C(=O)N2C[C@H](C[NH3+])C3(C2)CCOCC3)c1 ZINC000574451854 564674649 /nfs/dbraw/zinc/67/46/49/564674649.db2.gz QJVORVZHPJSTMS-AWEZNQCLSA-N 1 0 381.314 2.893 20 0 GFADRO O=C(CNCc1csc(-c2ccsc2)n1)NCC[NH+]1CCCCCC1 ZINC000552064832 564675553 /nfs/dbraw/zinc/67/55/53/564675553.db2.gz RPGFOZVPJRSKEK-UHFFFAOYSA-N 1 0 378.567 2.953 20 0 GFADRO Cc1ccc(Br)c(S(=O)(=O)NCC[NH2+][C@@H](C)c2ccccn2)c1 ZINC000552073651 564675775 /nfs/dbraw/zinc/67/57/75/564675775.db2.gz MTWLVGBJKWFUBG-ZDUSSCGKSA-N 1 0 398.326 2.782 20 0 GFADRO C[C@H](Cc1ccc(Br)cc1)NC(=O)NC[C@H]1CCC[N@@H+]1CCCO ZINC000457873943 564677561 /nfs/dbraw/zinc/67/75/61/564677561.db2.gz LUIZXKGALNRRRR-RHSMWYFYSA-N 1 0 398.345 2.526 20 0 GFADRO CC(C)[N@H+](C)CC1CCN(C(=O)c2cc(I)c[nH]2)CC1 ZINC000524188291 564678402 /nfs/dbraw/zinc/67/84/02/564678402.db2.gz VRYIDXABBCWDQA-UHFFFAOYSA-N 1 0 389.281 2.812 20 0 GFADRO COc1cc(C(=O)N2[C@@H]3CC[C@H]2CC[N@@H+](C)C3)cc(OC)c1Br ZINC000552144716 564678866 /nfs/dbraw/zinc/67/88/66/564678866.db2.gz UBCRWLJRXCZHFU-QWHCGFSZSA-N 1 0 383.286 2.775 20 0 GFADRO [NH3+][C@@H]1CCC[C@H](CNC(=O)c2ccc(S(=O)(=O)c3ccccc3)s2)C1 ZINC000574630684 564681693 /nfs/dbraw/zinc/68/16/93/564681693.db2.gz NCZJVFUDCKLOFP-UONOGXRCSA-N 1 0 378.519 2.828 20 0 GFADRO CC[NH+]1CCC(CNS(=O)(=O)Cc2ccccc2Br)CC1 ZINC000574660754 564683178 /nfs/dbraw/zinc/68/31/78/564683178.db2.gz AVQIDKGFOOXAPP-UHFFFAOYSA-N 1 0 375.332 2.600 20 0 GFADRO C[C@]1(C[NH2+]C[C@@H](O)COc2ccc(Br)cc2)CCO[C@@H]1C1CC1 ZINC000574686395 564684307 /nfs/dbraw/zinc/68/43/07/564684307.db2.gz RSRZZMHNEIPRKG-KBAYOESNSA-N 1 0 384.314 2.984 20 0 GFADRO CC[C@@H]([NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1)c1ccc(OC(F)(F)F)cc1 ZINC000552276516 564684884 /nfs/dbraw/zinc/68/48/84/564684884.db2.gz ZRUYWRWEWRXTBO-SWLSCSKDSA-N 1 0 380.432 2.907 20 0 GFADRO CSc1cc(C(=O)N[C@H](C)C(=O)NCC[NH+](C)C)c(Cl)cc1Cl ZINC000552311151 564685213 /nfs/dbraw/zinc/68/52/13/564685213.db2.gz XTZWWGMASZXELG-SECBINFHSA-N 1 0 378.325 2.511 20 0 GFADRO CC[NH+](CC)[C@@H](C)CNC(=O)N(CCO)Cc1cccc(Br)c1 ZINC000487378126 564685605 /nfs/dbraw/zinc/68/56/05/564685605.db2.gz JRPVWXGGHLGNJH-AWEZNQCLSA-N 1 0 386.334 2.683 20 0 GFADRO CC[NH+](CC)C[C@@H](C)NC(=O)N(CCO)Cc1cccc(Br)c1 ZINC000487390419 564685896 /nfs/dbraw/zinc/68/58/96/564685896.db2.gz DLMGMLXBNQWRJL-CQSZACIVSA-N 1 0 386.334 2.683 20 0 GFADRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)NCCOc3ccc(Br)cc3)C2)C1 ZINC000458077418 564686871 /nfs/dbraw/zinc/68/68/71/564686871.db2.gz IGLPDTCXCPBBFI-GOSISDBHSA-N 1 0 396.329 2.955 20 0 GFADRO C[C@H](CC[NH+](C)C)NC(=O)NCCC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000458105573 564688412 /nfs/dbraw/zinc/68/84/12/564688412.db2.gz YZIDDDNWFIDLJQ-LLVKDONJSA-N 1 0 375.300 2.961 20 0 GFADRO O=C(N[C@@H](c1cncc(Br)c1)C1CC1)N[C@@H]1C[NH2+]CCC1(F)F ZINC000574975473 564690137 /nfs/dbraw/zinc/69/01/37/564690137.db2.gz AKVSOMNDCPLAKL-CHWSQXEVSA-N 1 0 389.244 2.592 20 0 GFADRO Cc1ncc2c(n1)CC[C@@H]([NH2+]C[C@H](O)COc1ccc(Cl)cc1Cl)C2 ZINC000575052949 564691812 /nfs/dbraw/zinc/69/18/12/564691812.db2.gz UXMRCYLIFGIJSE-CABCVRRESA-N 1 0 382.291 2.979 20 0 GFADRO CCc1ccccc1[C@H]([NH3+])CNC(=O)c1cc(Br)cnc1N(C)C ZINC000575127303 564692648 /nfs/dbraw/zinc/69/26/48/564692648.db2.gz CZPHWXVAIGWFEM-MRXNPFEDSA-N 1 0 391.313 2.902 20 0 GFADRO CO[C@@H]1CC[C@@H]2OCCN(Cc3cn4ccc(Br)cc4n3)[C@H]2C1 ZINC000575325918 564696291 /nfs/dbraw/zinc/69/62/91/564696291.db2.gz FKYUZUXZWHFSTD-PMPSAXMXSA-N 1 0 380.286 2.865 20 0 GFADRO Cc1ncc2n1C[C@H](C(=O)N(CCO)Cc1cc(Br)cs1)CC2 ZINC000575322194 564696648 /nfs/dbraw/zinc/69/66/48/564696648.db2.gz ZQTSUGYFRCOMDT-GFCCVEGCSA-N 1 0 398.326 2.599 20 0 GFADRO [NH3+][C@@H]1CCc2ncc(NC(=O)c3cc4c(c(Br)c3)OCO4)cc2C1 ZINC000575376003 564697457 /nfs/dbraw/zinc/69/74/57/564697457.db2.gz JHLZZDOHLDYRRH-LLVKDONJSA-N 1 0 390.237 2.641 20 0 GFADRO C[C@H](CC[NH+](C)C)NC(=O)N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000487875211 564698071 /nfs/dbraw/zinc/69/80/71/564698071.db2.gz GXZCCACZGIUZFP-IAQYHMDHSA-N 1 0 387.311 2.738 20 0 GFADRO Cc1nc2cc(Cl)c(NC(=O)C(=O)NCC[N@H+]3CC[C@H](C)C3)cc2s1 ZINC000575411078 564698749 /nfs/dbraw/zinc/69/87/49/564698749.db2.gz FFTJNLOEQDSTPV-JTQLQIEISA-N 1 0 380.901 2.655 20 0 GFADRO C[N@@H+]1CC[C@@]2(CCN(C(=O)NCCOc3cccc(Br)c3)C2)C1 ZINC000488023575 564702683 /nfs/dbraw/zinc/70/26/83/564702683.db2.gz IMTCIUDOJQBCMH-QGZVFWFLSA-N 1 0 382.302 2.565 20 0 GFADRO C[NH+](C)[C@]1(CNC(=O)NCCc2cccc(Br)c2)CCSC1 ZINC000458485756 564703852 /nfs/dbraw/zinc/70/38/52/564703852.db2.gz BHWJYJSQJLTVHF-INIZCTEOSA-N 1 0 386.359 2.728 20 0 GFADRO C[C@@H]1CSCC[N@H+](CC(=O)NCCOc2ccc(C(F)(F)F)cc2)C1 ZINC000488148047 564705150 /nfs/dbraw/zinc/70/51/50/564705150.db2.gz JUFKRQGEGOMXCH-ZDUSSCGKSA-N 1 0 376.444 2.885 20 0 GFADRO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NCc2nc3c(cccc3Br)[nH]2)C1 ZINC000458532735 564705411 /nfs/dbraw/zinc/70/54/11/564705411.db2.gz JYYNHSXODRBFMW-RISCZKNCSA-N 1 0 394.317 2.853 20 0 GFADRO CC[C@@H](NC(=O)NCc1cn2cc(Br)cc(C)c2n1)[C@@H](O)CC ZINC000458644252 564709715 /nfs/dbraw/zinc/70/97/15/564709715.db2.gz FLMZXBBAZGXBQW-KGLIPLIRSA-N 1 0 383.290 2.754 20 0 GFADRO CC[C@@H](O)[C@H](CC)NC(=O)NCc1cn2cc(Br)cc(C)c2n1 ZINC000458644253 564709751 /nfs/dbraw/zinc/70/97/51/564709751.db2.gz FLMZXBBAZGXBQW-UONOGXRCSA-N 1 0 383.290 2.754 20 0 GFADRO C[C@H](NCCS(=O)(=O)NC(C)(C)C)c1ccc(Br)cc1F ZINC000525867981 564711294 /nfs/dbraw/zinc/71/12/94/564711294.db2.gz SIERFVDRQVPIJJ-JTQLQIEISA-N 1 0 381.311 2.957 20 0 GFADRO C[NH+](C)CC(C)(C)NC(=O)N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000458686880 564711565 /nfs/dbraw/zinc/71/15/65/564711565.db2.gz HVTAOEJSBLWIMW-CYBMUJFWSA-N 1 0 387.311 2.738 20 0 GFADRO COCCNS(=O)(=O)c1ccc(C[NH2+][C@@H]2CS[C@@H](C(C)(C)C)C2)cc1 ZINC000488429818 564711958 /nfs/dbraw/zinc/71/19/58/564711958.db2.gz DGSLCNHCLIDYRC-DOTOQJQBSA-N 1 0 386.583 2.621 20 0 GFADRO C[NH+](C)CCCOc1cnccc1CNCc1ncc(Br)s1 ZINC000576286272 564712277 /nfs/dbraw/zinc/71/22/77/564712277.db2.gz QSAWCTCILQDZDK-UHFFFAOYSA-N 1 0 385.331 2.921 20 0 GFADRO COc1cc(Br)ccc1CNC(=O)N[C@@H](C)C1=CC[N@H+](C)CC1 ZINC000488498140 564713206 /nfs/dbraw/zinc/71/32/06/564713206.db2.gz LXKKRXLHKJZYMF-LBPRGKRZSA-N 1 0 382.302 2.907 20 0 GFADRO O=C(N[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000458725293 564714493 /nfs/dbraw/zinc/71/44/93/564714493.db2.gz HBVDRUHHXIRXMB-JKIFEVAISA-N 1 0 386.323 2.995 20 0 GFADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)NCc2ccc(Cl)cc2Cl)C1 ZINC000576491073 564714921 /nfs/dbraw/zinc/71/49/21/564714921.db2.gz NRVCFRRZWHABKL-ZDUSSCGKSA-N 1 0 386.323 2.800 20 0 GFADRO C[C@H]1[C@@H](CO)CC[N@@H+]1CCCOc1cccc(I)c1 ZINC000488745927 564718945 /nfs/dbraw/zinc/71/89/45/564718945.db2.gz BNEHDJUBPDOXMH-QWHCGFSZSA-N 1 0 375.250 2.763 20 0 GFADRO Cc1nc(CNC(=O)N2CCCC23CC[NH+](C)CC3)sc1Br ZINC000458930241 564723983 /nfs/dbraw/zinc/72/39/83/564723983.db2.gz OWAMCNDSZNSLAW-UHFFFAOYSA-N 1 0 387.347 2.984 20 0 GFADRO Cc1nc(CNC(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)sc1Br ZINC000458921254 564724031 /nfs/dbraw/zinc/72/40/31/564724031.db2.gz GTZMFIGLUHRQCJ-VXGBXAGGSA-N 1 0 387.347 2.840 20 0 GFADRO Fc1cc(C[NH2+]CCCCn2cc(Br)cn2)ccc1-n1cncn1 ZINC000526988406 564724683 /nfs/dbraw/zinc/72/46/83/564724683.db2.gz XCKJNVIMNRVELT-UHFFFAOYSA-N 1 0 393.264 2.935 20 0 GFADRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)Cc1ccc(I)cc1 ZINC000488988861 564726384 /nfs/dbraw/zinc/72/63/84/564726384.db2.gz YCOIYUHFBLGKHU-OAHLLOKOSA-N 1 0 386.277 2.824 20 0 GFADRO C[C@H](CCc1ccc(I)cc1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC000527019970 564726503 /nfs/dbraw/zinc/72/65/03/564726503.db2.gz SOHSZTCDLYUNOS-OCCSQVGLSA-N 1 0 386.277 2.680 20 0 GFADRO O=C(NC/C=C\c1ccc(Br)cc1)NC[C@H]1CCC[N@H+]1CCCO ZINC000458979234 564727733 /nfs/dbraw/zinc/72/77/33/564727733.db2.gz QSRZWPTVXWNEDN-DIIYHRTISA-N 1 0 396.329 2.608 20 0 GFADRO O=c1ccc(Br)cn1CC[NH2+]Cc1cnc([C@@H]2CCCO2)s1 ZINC000577261015 564731821 /nfs/dbraw/zinc/73/18/21/564731821.db2.gz VCOOTABUEDHVLS-ZDUSSCGKSA-N 1 0 384.299 2.709 20 0 GFADRO CN(CC1CC[NH+](C)CC1)S(=O)(=O)c1cccc(OC(F)(F)F)c1F ZINC000489229790 564733265 /nfs/dbraw/zinc/73/32/65/564733265.db2.gz ZSHNNCWBTCZFEB-UHFFFAOYSA-N 1 0 384.395 2.687 20 0 GFADRO C[N@@H+]1CC[C@]2(CCN(C(=O)C3=Cc4cc(Br)ccc4OC3)C2)C1 ZINC000553794859 564736983 /nfs/dbraw/zinc/73/69/83/564736983.db2.gz VDXLMHNNTVTTSN-SFHVURJKSA-N 1 0 377.282 2.779 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)NCCOc2ccc(Br)cc2)C1 ZINC000489416893 564738998 /nfs/dbraw/zinc/73/89/98/564738998.db2.gz XDNLYKBREVMRKU-LSDHHAIUSA-N 1 0 384.318 3.000 20 0 GFADRO C[C@@H]1C[C@@H](C[NH2+]CCS(=O)(=O)c2cccc(Br)c2)[C@@H](C)O1 ZINC000578064704 564740070 /nfs/dbraw/zinc/74/00/70/564740070.db2.gz QANNWFJMSKONSY-UPJWGTAASA-N 1 0 376.316 2.626 20 0 GFADRO C[C@@H]1C[C@H](C[NH2+]CCS(=O)(=O)c2cccc(Br)c2)[C@@H](C)O1 ZINC000578064703 564740417 /nfs/dbraw/zinc/74/04/17/564740417.db2.gz QANNWFJMSKONSY-JHJVBQTASA-N 1 0 376.316 2.626 20 0 GFADRO Cn1cncc1CC[NH+]1CCN(Cc2ccc(Br)c(F)c2)CC1 ZINC000459359322 564741322 /nfs/dbraw/zinc/74/13/22/564741322.db2.gz GNKIYWHXPCLSKN-UHFFFAOYSA-N 1 0 381.293 2.682 20 0 GFADRO C[C@H]1NC(=O)N(CC[NH2+][C@H](c2ccc(Br)cc2)C2CCC2)C1=O ZINC000459391547 564742889 /nfs/dbraw/zinc/74/28/89/564742889.db2.gz KHUYYFOCIFYYTJ-ABAIWWIYSA-N 1 0 380.286 2.820 20 0 GFADRO CCOC(=O)c1cc(Cl)cc(S(=O)(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)c1 ZINC000489544659 564742979 /nfs/dbraw/zinc/74/29/79/564742979.db2.gz CWBAPCNJMYVQBP-HUUCEWRRSA-N 1 0 388.917 2.668 20 0 GFADRO C[C@H]1NC(=O)N(CC[NH2+][C@H](CC2CC2)c2cc(F)cc(Br)c2)C1=O ZINC000459425493 564743871 /nfs/dbraw/zinc/74/38/71/564743871.db2.gz KQLYPZMVHRBKJL-MEBBXXQBSA-N 1 0 398.276 2.959 20 0 GFADRO C[C@@H](CO)[N@H+](Cc1cc(=O)n2cc(Br)ccc2n1)C1CCCC1 ZINC000553910777 564744263 /nfs/dbraw/zinc/74/42/63/564744263.db2.gz UAESARWCGWPUGJ-LBPRGKRZSA-N 1 0 380.286 2.582 20 0 GFADRO CC[N@H+](C)C[C@H]1CCN(S(=O)(=O)c2cccc(OC(F)(F)F)c2F)C1 ZINC000489593380 564744960 /nfs/dbraw/zinc/74/49/60/564744960.db2.gz UZWKGCJZYMQEGA-LLVKDONJSA-N 1 0 384.395 2.687 20 0 GFADRO CC[NH+](CC)[C@@H](CNC(=O)NCCn1cc(Br)cn1)CC(C)C ZINC000553941000 564746333 /nfs/dbraw/zinc/74/63/33/564746333.db2.gz MIMXPRWBXCQICL-OAHLLOKOSA-N 1 0 388.354 2.701 20 0 GFADRO Cc1cc(CN2C(=O)N[C@@]3(CCCC[C@H]3C[NH3+])C2=O)ccc1Br ZINC000579349442 564746976 /nfs/dbraw/zinc/74/69/76/564746976.db2.gz KIFIKDWGGFAQRJ-SUMWQHHRSA-N 1 0 380.286 2.697 20 0 GFADRO O=C(N[C@H]1CC12CC[NH2+]CC2)N1CCc2ccc(F)c(Br)c2C1 ZINC000527594220 564748281 /nfs/dbraw/zinc/74/82/81/564748281.db2.gz NNOSAFWJLQCMNJ-AWEZNQCLSA-N 1 0 382.277 2.798 20 0 GFADRO O=S(=O)(c1ccc(CC(F)(F)F)cc1)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000579473713 564748557 /nfs/dbraw/zinc/74/85/57/564748557.db2.gz HVVMIECQZMQSFG-CABCVRRESA-N 1 0 376.444 2.802 20 0 GFADRO CCOc1cc(CN2C[C@H](N3CCOCC3)C[C@H]2C)cc(Br)c1O ZINC000459551388 564750052 /nfs/dbraw/zinc/75/00/52/564750052.db2.gz VUKNHYBLTMOSRO-UKRRQHHQSA-N 1 0 399.329 2.848 20 0 GFADRO O=C1NCCN1C1CN(Cc2cnc(-c3ccc(Br)cc3)s2)C1 ZINC000459543116 564750503 /nfs/dbraw/zinc/75/05/03/564750503.db2.gz BSNLNLCICMYKGJ-UHFFFAOYSA-N 1 0 393.310 2.782 20 0 GFADRO Fc1cc(Br)cnc1CNC[C@H]1CN(Cc2ccccc2)CCO1 ZINC000527632105 564751867 /nfs/dbraw/zinc/75/18/67/564751867.db2.gz PNALEKJEEJKTDM-INIZCTEOSA-N 1 0 394.288 2.974 20 0 GFADRO C[NH+]1CCN(C(C)(C)C[NH2+]Cc2ccc(Br)c(F)c2F)CC1 ZINC000527636445 564752160 /nfs/dbraw/zinc/75/21/60/564752160.db2.gz SZNZLHDTGLQMJF-UHFFFAOYSA-N 1 0 376.289 2.843 20 0 GFADRO CCO[C@H]1C[C@@H]([NH2+]Cc2cc(I)c(OC)c(OC)c2)C1 ZINC000459639011 564753521 /nfs/dbraw/zinc/75/35/21/564753521.db2.gz CLCSEUYKVSWVFK-TXEJJXNPSA-N 1 0 391.249 2.966 20 0 GFADRO O[C@@]1(CNCc2ncc(Br)cc2F)CC[N@H+](Cc2ccccc2)C1 ZINC000527664552 564754085 /nfs/dbraw/zinc/75/40/85/564754085.db2.gz KBJKXDROXXMZLE-GOSISDBHSA-N 1 0 394.288 2.710 20 0 GFADRO CCc1nncn1CC[NH2+]Cc1c[nH]nc1-c1ccc(Br)s1 ZINC000527664502 564754485 /nfs/dbraw/zinc/75/44/85/564754485.db2.gz ADANOIYOXGAMAA-UHFFFAOYSA-N 1 0 381.303 2.844 20 0 GFADRO CCOCCOc1ccc(Br)cc1C[NH2+]CCc1cn(C)cn1 ZINC000459652533 564754827 /nfs/dbraw/zinc/75/48/27/564754827.db2.gz CHPAEEBLJKYYHM-UHFFFAOYSA-N 1 0 382.302 2.930 20 0 GFADRO OC[C@@H](C[NH2+]Cc1c[nH]nc1-c1ccc(Br)s1)[C@@H]1CCOC1 ZINC000527700923 564756210 /nfs/dbraw/zinc/75/62/10/564756210.db2.gz LNMBUPJWCHLZNW-ZYHUDNBSSA-N 1 0 386.315 2.635 20 0 GFADRO C[C@@H](CC[NH+]1CCN(C)CC1)NCc1ncc(Cl)cc1Br ZINC000527692984 564756295 /nfs/dbraw/zinc/75/62/95/564756295.db2.gz QMNLKJYQBYUJKH-LBPRGKRZSA-N 1 0 375.742 2.613 20 0 GFADRO OCC1([NH2+]Cc2cc3c(cc2Br)OCCCO3)CCSCC1 ZINC000459689265 564757020 /nfs/dbraw/zinc/75/70/20/564757020.db2.gz CWYKNCGHRSRBNQ-UHFFFAOYSA-N 1 0 388.327 2.958 20 0 GFADRO C[NH+](C)CCCOc1cnccc1CNCc1ncc(Br)cc1F ZINC000527712549 564757661 /nfs/dbraw/zinc/75/76/61/564757661.db2.gz UTGSYTYNHOLLPZ-UHFFFAOYSA-N 1 0 397.292 2.999 20 0 GFADRO CNC(=O)[C@H](CCSC)[NH2+][C@@H](C)CC(=O)N(C)Cc1ccccc1Cl ZINC000489935607 564758588 /nfs/dbraw/zinc/75/85/88/564758588.db2.gz PCRCYPIPLMPFOS-BBRMVZONSA-N 1 0 385.961 2.534 20 0 GFADRO CC(C)c1nn(-c2ccc(Br)cc2)cc1C[N@@H+]1C[C@H](O)[C@H](CO)C1 ZINC000459715904 564758728 /nfs/dbraw/zinc/75/87/28/564758728.db2.gz VBHIZCXYPKIXQB-YOEHRIQHSA-N 1 0 394.313 2.543 20 0 GFADRO O=S(=O)(c1ccc(Br)cc1Cl)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000489991866 564759488 /nfs/dbraw/zinc/75/94/88/564759488.db2.gz WPNFLGXWHMGZHK-AWEZNQCLSA-N 1 0 393.734 2.867 20 0 GFADRO O=S(=O)(c1cc(Cl)ccc1Br)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000489989637 564759554 /nfs/dbraw/zinc/75/95/54/564759554.db2.gz ORROFCPMIVHKEL-AWEZNQCLSA-N 1 0 393.734 2.867 20 0 GFADRO CS(=O)(=O)c1ccc(C[NH2+]CCc2cccc3c2OC(F)(F)O3)s1 ZINC000527755474 564759707 /nfs/dbraw/zinc/75/97/07/564759707.db2.gz RWOVMTQZXZWCKR-UHFFFAOYSA-N 1 0 375.418 2.805 20 0 GFADRO CC[C@@H]1OCC[C@H]1[NH2+]CC(=O)Nc1ccc(I)cc1C ZINC000459764141 564760876 /nfs/dbraw/zinc/76/08/76/564760876.db2.gz BONIDYSFJJDCIN-KGLIPLIRSA-N 1 0 388.249 2.695 20 0 GFADRO C[NH+]1CCC(CNC(=O)N[C@@H](c2cncc(Br)c2)C2CC2)CC1 ZINC000554472853 564762019 /nfs/dbraw/zinc/76/20/19/564762019.db2.gz OPZSSSKMIXMWTR-MRXNPFEDSA-N 1 0 381.318 2.936 20 0 GFADRO Cc1cccc(N2CC[NH+](CCCNC(=O)[C@H]3C[C@@]3(C)Br)CC2)c1 ZINC000527909790 564764131 /nfs/dbraw/zinc/76/41/31/564764131.db2.gz SHHQENVJGGJPPN-IEBWSBKVSA-N 1 0 394.357 2.797 20 0 GFADRO CN(CC(=O)Nc1ccc(Br)cn1)C(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000554550174 564765827 /nfs/dbraw/zinc/76/58/27/564765827.db2.gz FHESIANKHMEMRW-CQSZACIVSA-N 1 0 397.317 2.506 20 0 GFADRO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@H]1CCN1C1CCCCC1 ZINC000527954498 564766053 /nfs/dbraw/zinc/76/60/53/564766053.db2.gz ZSAZBQSSKSBEPU-WMLDXEAASA-N 1 0 382.346 2.996 20 0 GFADRO CN(Cc1c(Cl)cccc1Cl)C(=O)C(=O)N1CCC(C[NH+](C)C)CC1 ZINC000459957700 564766269 /nfs/dbraw/zinc/76/62/69/564766269.db2.gz HKSAMCDWHUJKBG-UHFFFAOYSA-N 1 0 386.323 2.752 20 0 GFADRO COc1ccc(CN2CC[C@H]2C[NH2+][C@@H](C)Cn2cc(Br)cn2)cc1 ZINC000527970270 564766530 /nfs/dbraw/zinc/76/65/30/564766530.db2.gz PECHQSPLAKPSRA-YOEHRIQHSA-N 1 0 393.329 2.907 20 0 GFADRO COc1ccc(CNC(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1Br ZINC000580631794 564767747 /nfs/dbraw/zinc/76/77/47/564767747.db2.gz KTAKJLHOAFKPFP-MGPQQGTHSA-N 1 0 382.302 2.645 20 0 GFADRO O=C(C[NH2+][C@H](CO)C1CCOCC1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000554643060 564768554 /nfs/dbraw/zinc/76/85/54/564768554.db2.gz RJKBIINIASSCPW-CQSZACIVSA-N 1 0 380.794 2.674 20 0 GFADRO C[C@@H]1CN(S(=O)(=O)c2ccc(Br)o2)CC[N@@H+](C2CCC2)C1 ZINC000490417664 564770074 /nfs/dbraw/zinc/77/00/74/564770074.db2.gz AQBXLJFKOZVUCM-NSHDSACASA-N 1 0 377.304 2.537 20 0 GFADRO C[C@@H](OC[C@@H](O)C[NH2+]CCNC(=O)c1cccs1)c1ccc(Cl)cc1 ZINC000580709690 564770342 /nfs/dbraw/zinc/77/03/42/564770342.db2.gz LISIZNSYROGTFU-CJNGLKHVSA-N 1 0 382.913 2.860 20 0 GFADRO Cn1ncc2c1CCC[C@@H]2[NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000580709708 564770512 /nfs/dbraw/zinc/77/05/12/564770512.db2.gz LVGDNFUAFRROLZ-CJNGLKHVSA-N 1 0 398.276 2.729 20 0 GFADRO C[C@@H]1CN(S(=O)(=O)c2ccc(Br)cc2)CC[N@@H+](C2CCC2)C1 ZINC000490421828 564770823 /nfs/dbraw/zinc/77/08/23/564770823.db2.gz HTFHTHHFIWMESK-ZDUSSCGKSA-N 1 0 387.343 2.944 20 0 GFADRO C[N@@H+]1CC[C@@](O)(CNC(=O)NCCSCc2ccc(Cl)cc2Cl)C1 ZINC000460218199 564771289 /nfs/dbraw/zinc/77/12/89/564771289.db2.gz SZDCQLWRVJHYMX-MRXNPFEDSA-N 1 0 392.352 2.592 20 0 GFADRO COCCN(CC[NH+](C)C)C(=O)Nc1cc(-c2ccc(Cl)s2)nn1C ZINC000490523059 564775526 /nfs/dbraw/zinc/77/55/26/564775526.db2.gz XDYHWHTTXKXJPY-UHFFFAOYSA-N 1 0 385.921 2.844 20 0 GFADRO CN(C(=O)[C@@H]1C[C@@]1(C)Br)C1CC[NH+](CCc2ccccn2)CC1 ZINC000528328427 564778003 /nfs/dbraw/zinc/77/80/03/564778003.db2.gz SFLHOKBHXIZVHB-FUHWJXTLSA-N 1 0 380.330 2.720 20 0 GFADRO C[N@H+](C[C@@H](O)CN1CCOc2c(Cl)cc(Br)cc21)C1CC1 ZINC000554946153 564779152 /nfs/dbraw/zinc/77/91/52/564779152.db2.gz OVZYTDYNKZYARF-GFCCVEGCSA-N 1 0 375.694 2.756 20 0 GFADRO O=C(NCCc1ccccc1Br)[C@H]1COCCN1C1CCCC1 ZINC000490640022 564779399 /nfs/dbraw/zinc/77/93/99/564779399.db2.gz LCWZSQHXEGNYJU-QGZVFWFLSA-N 1 0 381.314 2.751 20 0 GFADRO Brc1cccc(-c2c[nH]c(C[NH2+]CCN3C[C@H]4CC[C@@H](C3)O4)n2)c1 ZINC000580933709 564780387 /nfs/dbraw/zinc/78/03/87/564780387.db2.gz ICAJBQHUFQIBHZ-IYBDPMFKSA-N 1 0 391.313 2.792 20 0 GFADRO CO[C@H]1CCN(C(=O)c2cc(C)nc3ccc(Br)cc32)[C@@H](C[NH3+])C1 ZINC000580956598 564781535 /nfs/dbraw/zinc/78/15/35/564781535.db2.gz CBTVDWGOYIYVBX-KGLIPLIRSA-N 1 0 392.297 2.884 20 0 GFADRO O=C(C[NH2+]C[C@H]1CCCO1)N1CCC(Oc2cccc(Br)c2)CC1 ZINC000580946971 564781540 /nfs/dbraw/zinc/78/15/40/564781540.db2.gz PWTGRBLFHFMGMH-QGZVFWFLSA-N 1 0 397.313 2.588 20 0 GFADRO CS[C@@H]1CN(C(=O)c2cc(Br)cc(N(C)C)c2)C[C@@H]1[NH+](C)C ZINC000490861790 564783449 /nfs/dbraw/zinc/78/34/49/564783449.db2.gz XDGRLRLQGKDVQH-LSDHHAIUSA-N 1 0 386.359 2.633 20 0 GFADRO COc1ccc(C(=O)N[C@@H](C)C[N@H+](C)C(C)C)cc1I ZINC000555111781 564783681 /nfs/dbraw/zinc/78/36/81/564783681.db2.gz IMXOQNBTPOBICH-NSHDSACASA-N 1 0 390.265 2.758 20 0 GFADRO CN1CCO[C@@H](CSCc2csc(-c3ccc(S(C)(=O)=O)cc3)n2)C1 ZINC000581011435 564783788 /nfs/dbraw/zinc/78/37/88/564783788.db2.gz QEOSCZLIIAKQRN-OAHLLOKOSA-N 1 0 398.575 2.777 20 0 GFADRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)c1cc(Br)cnc1N(C)C ZINC000581014482 564783986 /nfs/dbraw/zinc/78/39/86/564783986.db2.gz MURKJMWEXPTROI-LBPRGKRZSA-N 1 0 383.334 2.712 20 0 GFADRO CCN1C[C@H](C)N(C(=O)C(=O)N[C@H](C)c2ccc(Br)cc2)C[C@H]1C ZINC000581084520 564786669 /nfs/dbraw/zinc/78/66/69/564786669.db2.gz HWMCBMIVGVQCEG-HZSPNIEDSA-N 1 0 396.329 2.567 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1cnn(-c2ccc(Cl)cc2)c1C ZINC000491170862 564787792 /nfs/dbraw/zinc/78/77/92/564787792.db2.gz IDUINOJWQOLBOC-MRXNPFEDSA-N 1 0 382.917 2.597 20 0 GFADRO C[N@@H+]1CCC[C@@]2(CCN(S(=O)(=O)c3ccc(F)cc3Br)C2)C1 ZINC000555404874 564792716 /nfs/dbraw/zinc/79/27/16/564792716.db2.gz JMWOILZEKZJJQU-OAHLLOKOSA-N 1 0 391.306 2.695 20 0 GFADRO COC[C@H](C)OC[C@H](O)C[NH2+][C@@H]1CSc2ccc(Br)cc21 ZINC000581247245 564794492 /nfs/dbraw/zinc/79/44/92/564794492.db2.gz RKRMKOULFXUFIY-ZKYQVNSYSA-N 1 0 376.316 2.598 20 0 GFADRO OCC[C@@H]([NH2+]Cc1ccc(I)cc1)C1CCOCC1 ZINC000461363729 564794966 /nfs/dbraw/zinc/79/49/66/564794966.db2.gz RODDCUQZUYEYGJ-OAHLLOKOSA-N 1 0 375.250 2.558 20 0 GFADRO CS(=O)(=O)N1CC[C@@H]([NH2+][C@@H]2CCCOc3c(Cl)c(Cl)ccc32)C1 ZINC000581255639 564795471 /nfs/dbraw/zinc/79/54/71/564795471.db2.gz LFZCPEKREPYKDM-ZWNOBZJWSA-N 1 0 379.309 2.831 20 0 GFADRO C[C@]1(Br)C[C@@H]1C(=O)NC1CC[NH+](CCOc2ccc(F)cc2)CC1 ZINC000528604534 564796711 /nfs/dbraw/zinc/79/67/11/564796711.db2.gz BLKLPOKMCIMEIS-AEFFLSMTSA-N 1 0 399.304 2.959 20 0 GFADRO CO[C@]1(C[NH2+]Cc2cn(-c3ccc(Br)cc3)nc2C)CCOC1 ZINC000461429074 564796940 /nfs/dbraw/zinc/79/69/40/564796940.db2.gz RTBAXIFYAIWXIM-KRWDZBQOSA-N 1 0 380.286 2.838 20 0 GFADRO CC(C)(C)[N@H+](CCCN1C(=O)CNC1=O)Cc1ccc(Br)cc1 ZINC000528595010 564796979 /nfs/dbraw/zinc/79/69/79/564796979.db2.gz SUWOAPAXDPAXHK-UHFFFAOYSA-N 1 0 382.302 2.992 20 0 GFADRO Cc1cc(Br)cc2c1[C@H]([NH2+]CCS(=O)(=O)NC(C)C)CC2 ZINC000492088716 564798553 /nfs/dbraw/zinc/79/85/53/564798553.db2.gz WQVQDIZHYSETNX-CQSZACIVSA-N 1 0 375.332 2.662 20 0 GFADRO CC[C@H](C(=O)N1CCNC(=O)[C@H]1c1ccccc1Br)[NH+](CC)CC ZINC000461479466 564798787 /nfs/dbraw/zinc/79/87/87/564798787.db2.gz LYVODUPJMLEXQI-HZPDHXFCSA-N 1 0 396.329 2.569 20 0 GFADRO O=C(NC[C@H]1COCC[NH2+]1)Nc1ccc(Br)c(C(F)(F)F)c1 ZINC000528662140 564799435 /nfs/dbraw/zinc/79/94/35/564799435.db2.gz CGKYKVHUXFUCFH-VIFPVBQESA-N 1 0 382.180 2.578 20 0 GFADRO C[C@]1(C[C@H]2CCC[N@@H+]2Cc2cc(F)cc(Br)c2)NC(=O)NC1=O ZINC000581436590 564802267 /nfs/dbraw/zinc/80/22/67/564802267.db2.gz VQUNJAXHJHWBBC-CZUORRHYSA-N 1 0 384.249 2.541 20 0 GFADRO CN(Cc1ccc(Cl)s1)C(=O)CN1CCC(C)([NH+]2CCOCC2)CC1 ZINC000528732205 564802337 /nfs/dbraw/zinc/80/23/37/564802337.db2.gz YGPAJVVYBPBVES-UHFFFAOYSA-N 1 0 385.961 2.547 20 0 GFADRO O=C(c1cc(O)cc(Br)c1)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000528732924 564802373 /nfs/dbraw/zinc/80/23/73/564802373.db2.gz FLDYXUOCHLVTKH-UHFFFAOYSA-N 1 0 397.313 2.872 20 0 GFADRO O=C(CNC(=O)C[N@@H+]1CC[C@@H](CC2CC2)C1)Nc1ccccc1Br ZINC000555700625 564802384 /nfs/dbraw/zinc/80/23/84/564802384.db2.gz HLFREULOGIIYEG-AWEZNQCLSA-N 1 0 394.313 2.626 20 0 GFADRO CCCC[N@H+](C)C[C@H](C)NC(=O)N[C@H](CO)c1cccc(Br)c1 ZINC000461795618 564804961 /nfs/dbraw/zinc/80/49/61/564804961.db2.gz KSKYDEBSILWXGE-XJKSGUPXSA-N 1 0 386.334 2.902 20 0 GFADRO C[C@@H](NC(=O)NCCNc1cc[nH+]cc1)c1ccc(Br)cc1F ZINC000461798949 564805936 /nfs/dbraw/zinc/80/59/36/564805936.db2.gz VROXWZWSVOSAKQ-LLVKDONJSA-N 1 0 381.249 2.877 20 0 GFADRO C[NH+](C)CC(C)(C)CNS(=O)(=O)c1cccc(Cl)c1Br ZINC000493607622 564810000 /nfs/dbraw/zinc/81/00/00/564810000.db2.gz XXALQXJGPVXSKU-UHFFFAOYSA-N 1 0 383.739 2.969 20 0 GFADRO CC(C)[N@H+](C)C[C@H](C)NC(=O)N[C@H](CCO)c1ccccc1Br ZINC000462008857 564810615 /nfs/dbraw/zinc/81/06/15/564810615.db2.gz JSOPNMCZPVFRKF-XJKSGUPXSA-N 1 0 386.334 2.901 20 0 GFADRO CC[C@@H]1Cc2c(Br)cccc2C[N@@H+]1CCC(=O)N1CCOCC1 ZINC000556055110 564811289 /nfs/dbraw/zinc/81/12/89/564811289.db2.gz ZHQBFIBHCLTQKQ-OAHLLOKOSA-N 1 0 381.314 2.835 20 0 GFADRO CC(C)[N@H+](C)C[C@H](C)NC(=O)NC[C@@H](O)COc1cccc(Cl)c1Cl ZINC000462016559 564811881 /nfs/dbraw/zinc/81/18/81/564811881.db2.gz RHUNSXXOEREGQW-QWHCGFSZSA-N 1 0 392.327 2.761 20 0 GFADRO Cc1ccc2[nH]c(C[NH2+][C@H](C)Cn3cc(Br)ccc3=O)nc2c1 ZINC000556261445 564815824 /nfs/dbraw/zinc/81/58/24/564815824.db2.gz RSJGVXRKWQZIBX-GFCCVEGCSA-N 1 0 375.270 2.974 20 0 GFADRO COCC[N@@H+](Cc1cc(Br)cs1)CC1CCS(=O)(=O)CC1 ZINC000494050256 564816050 /nfs/dbraw/zinc/81/60/50/564816050.db2.gz PVJNOHNLZOPVKM-UHFFFAOYSA-N 1 0 396.372 2.784 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2S(=O)(=O)c1ccc(C(F)(F)F)s1 ZINC000462098604 564818628 /nfs/dbraw/zinc/81/86/28/564818628.db2.gz DEAWYNSSYPBYQO-UTUOFQBUSA-N 1 0 398.472 2.639 20 0 GFADRO O=S(=O)(CCc1ccccc1Br)NCC[NH+]1CCCCCC1 ZINC000462109449 564820361 /nfs/dbraw/zinc/82/03/61/564820361.db2.gz ANAGWCNAUBHCTK-UHFFFAOYSA-N 1 0 389.359 2.787 20 0 GFADRO C[C@H](CC(=O)N1CCO[C@H](C[NH+](C)C)C1)c1ccc(F)c(Br)c1 ZINC000462116147 564821314 /nfs/dbraw/zinc/82/13/14/564821314.db2.gz GJDWHVNUNKQGDM-TZMCWYRMSA-N 1 0 387.293 2.871 20 0 GFADRO C[N@@H+]1CCCN(C(=O)NCCc2c[nH]c3cccc(Br)c23)CC1 ZINC000462124118 564821966 /nfs/dbraw/zinc/82/19/66/564821966.db2.gz YWZVABXAOYJMII-UHFFFAOYSA-N 1 0 379.302 2.820 20 0 GFADRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NS(=O)(=O)c1cccc(Br)c1Cl ZINC000556376592 564822877 /nfs/dbraw/zinc/82/28/77/564822877.db2.gz ZSIGUDAYAAWCJY-JOYOIKCWSA-N 1 0 393.734 2.864 20 0 GFADRO C[NH+](C)C[C@@H]1CCCN1S(=O)(=O)c1cccc(Br)c1Cl ZINC000556400908 564824617 /nfs/dbraw/zinc/82/46/17/564824617.db2.gz WQGVXPBEWMGGEM-JTQLQIEISA-N 1 0 381.723 2.817 20 0 GFADRO CCN1CCN(C(=O)Nc2nccc(Br)c2C)C[C@@H]1c1ncc[nH]1 ZINC000581992320 564825475 /nfs/dbraw/zinc/82/54/75/564825475.db2.gz UZPAGVZJLNCZKB-CYBMUJFWSA-N 1 0 393.289 2.786 20 0 GFADRO O=C(NCC1(c2cccc(Br)c2)CC1)N1CC[NH+]2CCC1CC2 ZINC000556454377 564827102 /nfs/dbraw/zinc/82/71/02/564827102.db2.gz OCOCABFDCKWHNG-UHFFFAOYSA-N 1 0 378.314 2.970 20 0 GFADRO CC[N@@H+]1CCC[C@H](CNS(=O)(=O)c2sc(C)cc2Br)C1 ZINC000462256374 564829112 /nfs/dbraw/zinc/82/91/12/564829112.db2.gz MQOOOMDDOAXCLE-LLVKDONJSA-N 1 0 381.361 2.829 20 0 GFADRO CC[N@@H+]1CCC[C@H](CNS(=O)(=O)c2ccc(C)c(Br)c2)C1 ZINC000462258405 564829469 /nfs/dbraw/zinc/82/94/69/564829469.db2.gz PUNKEBMPUJLSEW-CYBMUJFWSA-N 1 0 375.332 2.768 20 0 GFADRO CO[C@H]1C[C@@H](CN(C)C(=O)[C@@H]2C[C@H]2c2csc(Br)c2)[N@H+](C)C1 ZINC000529328087 564829577 /nfs/dbraw/zinc/82/95/77/564829577.db2.gz TXIRDXARXYOAFW-XDQVBPFNSA-N 1 0 387.343 2.792 20 0 GFADRO CC(C)[C@@H]1C[NH2+]CCN1C(=O)N[C@@H]1CCOc2c(Br)cccc21 ZINC000529331046 564830483 /nfs/dbraw/zinc/83/04/83/564830483.db2.gz PZTKASUNRXQDAR-CABCVRRESA-N 1 0 382.302 2.912 20 0 GFADRO C[C@H](O)C[NH+]1CCN(Cc2cccc(Br)c2OC(F)F)CC1 ZINC000494465334 564831171 /nfs/dbraw/zinc/83/11/71/564831171.db2.gz VMPWNPIBANLSPA-NSHDSACASA-N 1 0 379.245 2.549 20 0 GFADRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)NCc3ccc(Br)c(F)c3F)C[C@@H]21 ZINC000529369053 564831880 /nfs/dbraw/zinc/83/18/80/564831880.db2.gz GEQJRNMCJDVKQZ-GMXVVIOVSA-N 1 0 388.256 2.996 20 0 GFADRO C[NH+](C)C[C@H](NC(=O)N1CCNC[C@](C)(F)C1)c1ccc(Cl)c(Cl)c1 ZINC000529387972 564833306 /nfs/dbraw/zinc/83/33/06/564833306.db2.gz RDYXOQPQPZOFDL-RDJZCZTQSA-N 1 0 391.318 2.939 20 0 GFADRO C[NH+](C)C[C@@H](NC(=O)N1CCNC[C@](C)(F)C1)c1ccc(Cl)c(Cl)c1 ZINC000529387974 564833449 /nfs/dbraw/zinc/83/34/49/564833449.db2.gz RDYXOQPQPZOFDL-WBVHZDCISA-N 1 0 391.318 2.939 20 0 GFADRO CCN(CC)S(=O)(=O)c1cc(NC(=O)CC[C@@H]2CCC[NH2+]2)ccc1Cl ZINC000494562559 564834526 /nfs/dbraw/zinc/83/45/26/564834526.db2.gz GDFKYJKXVCPHMA-ZDUSSCGKSA-N 1 0 387.933 2.841 20 0 GFADRO COCC[C@H](Cc1cccc(Br)c1)C(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000556706767 564836712 /nfs/dbraw/zinc/83/67/12/564836712.db2.gz KAOLCHUJKOZIBH-IKGGRYGDSA-N 1 0 395.341 2.712 20 0 GFADRO C[C@@H](CNS(=O)(=O)c1ccc(Br)c(F)c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000462438836 564839718 /nfs/dbraw/zinc/83/97/18/564839718.db2.gz FNQWHCQSNXSEMR-NEPJUHHUSA-N 1 0 393.322 2.987 20 0 GFADRO NC(=O)CC1CC[NH+](Cc2c[nH]nc2-c2ccc(Br)s2)CC1 ZINC000529524280 564840092 /nfs/dbraw/zinc/84/00/92/564840092.db2.gz QQQVIPUHTWHIRC-UHFFFAOYSA-N 1 0 383.315 2.988 20 0 GFADRO OC[C@@H]([NH2+]C[C@H](O)COc1cccc(Br)c1)c1ccc(F)cc1 ZINC000582320684 564840653 /nfs/dbraw/zinc/84/06/53/564840653.db2.gz LXEZZPZVTUJWKA-DOTOQJQBSA-N 1 0 384.245 2.651 20 0 GFADRO COCC[N@@H+]1CC[C@H](NC(=O)c2ccc(Br)c(C(F)(F)F)c2)C1 ZINC000494833029 564841715 /nfs/dbraw/zinc/84/17/15/564841715.db2.gz GEYCHSQDVDMTDD-NSHDSACASA-N 1 0 395.219 2.918 20 0 GFADRO CC(=O)c1cc(Br)ccc1OCC(=O)NC[C@@H](C)[NH+]1CCCC1 ZINC000556824905 564841936 /nfs/dbraw/zinc/84/19/36/564841936.db2.gz QQXBCPLNZPZWAU-GFCCVEGCSA-N 1 0 383.286 2.631 20 0 GFADRO O=S(=O)(c1ccc(CC[NH2+]Cc2ccc(F)cn2)s1)N1CCCCC1 ZINC000529552355 564842282 /nfs/dbraw/zinc/84/22/82/564842282.db2.gz ZPDCINJLLXXKAN-UHFFFAOYSA-N 1 0 383.514 2.789 20 0 GFADRO O=C([C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000494885510 564842604 /nfs/dbraw/zinc/84/26/04/564842604.db2.gz HPYYHZZGHLPSEH-PVXIVEMSSA-N 1 0 382.291 2.557 20 0 GFADRO CC[N@H+](CCNC(=O)Nc1cnn(C)c1C(F)(F)F)CCC(F)(F)F ZINC000494913831 564843390 /nfs/dbraw/zinc/84/33/90/564843390.db2.gz BGVYUIAYFVTVBI-UHFFFAOYSA-N 1 0 375.317 2.835 20 0 GFADRO CC(C)[N@H+](C)C[C@@H](C)NC(=O)NC[C@H](O)COc1cccc(Cl)c1Cl ZINC000462529852 564845230 /nfs/dbraw/zinc/84/52/30/564845230.db2.gz RHUNSXXOEREGQW-OLZOCXBDSA-N 1 0 392.327 2.761 20 0 GFADRO C[C@@H](NC(=O)NCc1cc(Br)cc2c1OCC2)[C@H]1CCC[NH2+]C1 ZINC000582409878 564845282 /nfs/dbraw/zinc/84/52/82/564845282.db2.gz BPLFBGQNZDZIDE-YPMHNXCESA-N 1 0 382.302 2.571 20 0 GFADRO C[N@H+](CCOc1ccc(S(N)(=O)=O)cc1)CCc1ccc(F)cc1Cl ZINC000556895048 564845561 /nfs/dbraw/zinc/84/55/61/564845561.db2.gz NODZRLNJGYZQBZ-UHFFFAOYSA-N 1 0 386.876 2.680 20 0 GFADRO O=S(=O)(N[C@H]1CC[N@H+](CC2CCCC2)C1)c1ccc(Br)cc1 ZINC000462575453 564849225 /nfs/dbraw/zinc/84/92/25/564849225.db2.gz OMNXQBAPYYPCDC-HNNXBMFYSA-N 1 0 387.343 2.992 20 0 GFADRO O=S(=O)(N[C@@H]1CC[N@H+](CC2CCCC2)C1)c1cccc(Br)c1 ZINC000462571902 564849493 /nfs/dbraw/zinc/84/94/93/564849493.db2.gz AYUIZDPYYPFMJN-OAHLLOKOSA-N 1 0 387.343 2.992 20 0 GFADRO CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)NCCc1cc(Cl)cc(Cl)c1 ZINC000557016652 564850739 /nfs/dbraw/zinc/85/07/39/564850739.db2.gz DVMPAJZZHAHUSD-UHFFFAOYSA-N 1 0 386.323 2.595 20 0 GFADRO O=C(COc1ccccc1Br)N1CC[C@@H](OCC[NH+]2CCCC2)C1 ZINC000495351163 564853892 /nfs/dbraw/zinc/85/38/92/564853892.db2.gz SNTLAFVVVPFLPT-OAHLLOKOSA-N 1 0 397.313 2.541 20 0 GFADRO O=C1NCCC[C@H]1[NH2+]C1(Cc2ccc(F)cc2Br)CCOCC1 ZINC000582592331 564853956 /nfs/dbraw/zinc/85/39/56/564853956.db2.gz ZPRZJBNCWRZXDM-OAHLLOKOSA-N 1 0 385.277 2.548 20 0 GFADRO COc1ccc(Br)c(CC(=O)N2C[C@@H](SC)[C@H]([NH+](C)C)C2)c1 ZINC000495606031 564855497 /nfs/dbraw/zinc/85/54/97/564855497.db2.gz HZRZGVNLYFTHBE-HUUCEWRRSA-N 1 0 387.343 2.504 20 0 GFADRO CC[NH+]1CCC(CNC(=O)C(=O)Nc2cc(Cl)c(Cl)cc2OC)CC1 ZINC000582641195 564855545 /nfs/dbraw/zinc/85/55/45/564855545.db2.gz DEZZGRIEKKHZKR-UHFFFAOYSA-N 1 0 388.295 2.789 20 0 GFADRO CC1([NH+]2CCOCC2)CCN(C(=O)c2ccc(Br)c(F)c2)CC1 ZINC000529914662 564856956 /nfs/dbraw/zinc/85/69/56/564856956.db2.gz WHFSTSJDTMKIGV-UHFFFAOYSA-N 1 0 385.277 2.915 20 0 GFADRO CS[C@H]1CN(C(=O)Cc2cccc(OCC(F)(F)F)c2)C[C@@H]1[NH+](C)C ZINC000495725346 564857055 /nfs/dbraw/zinc/85/70/55/564857055.db2.gz BLSQFLLZRLJNCZ-GJZGRUSLSA-N 1 0 376.444 2.674 20 0 GFADRO COc1ccc([C@@H](C[NH+](C)C)NC(=O)c2nc(SC)ncc2Cl)cc1 ZINC000557207215 564857638 /nfs/dbraw/zinc/85/76/38/564857638.db2.gz QYHPXEOMNRJRCY-CQSZACIVSA-N 1 0 380.901 2.893 20 0 GFADRO C[NH+]1CCC(CCNc2ncnc3ccc(I)cc32)CC1 ZINC000462811261 564858601 /nfs/dbraw/zinc/85/86/01/564858601.db2.gz JVUMVAMAUUYURB-UHFFFAOYSA-N 1 0 396.276 3.378 20 0 GFADRO CO[C@@H]1CCC[C@@H]1C[NH2+]CCS(=O)(=O)c1cccc(Br)c1 ZINC000582720801 564859052 /nfs/dbraw/zinc/85/90/52/564859052.db2.gz ICFJKZXJICBKOL-IUODEOHRSA-N 1 0 376.316 2.628 20 0 GFADRO Cc1ccc(S(=O)(=O)NCCNC2CC[NH+](C3CCCCC3)CC2)s1 ZINC000557273524 564859270 /nfs/dbraw/zinc/85/92/70/564859270.db2.gz LWXHFCNOHVWHAR-UHFFFAOYSA-N 1 0 385.599 2.722 20 0 GFADRO Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000530030377 564860421 /nfs/dbraw/zinc/86/04/21/564860421.db2.gz YBGLWMOTSVUYPB-GFCCVEGCSA-N 1 0 378.826 2.997 20 0 GFADRO Cc1nc(C(=O)N[C@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)c(=O)[nH]c1C ZINC000530032387 564860804 /nfs/dbraw/zinc/86/08/04/564860804.db2.gz RKAXPCGBRXEOAH-CQSZACIVSA-N 1 0 383.279 2.726 20 0 GFADRO O=C(Nc1ccc(=O)n(Cc2ccc(Cl)c(Cl)c2)c1)[C@]12C[C@H]1CC[NH2+]2 ZINC000582779450 564861788 /nfs/dbraw/zinc/86/17/88/564861788.db2.gz BUGWNQXFCHBNQC-XIKOKIGWSA-N 1 0 378.259 2.894 20 0 GFADRO CCN(CC)c1nc2sc(C(=O)NC[C@@]3(COC)CCC[NH2+]3)cc2s1 ZINC000582784386 564861818 /nfs/dbraw/zinc/86/18/18/564861818.db2.gz VGUVOMNUULNMLJ-QGZVFWFLSA-N 1 0 382.555 2.702 20 0 GFADRO C[C@H](Cn1cc(Br)cn1)[NH2+][C@@H]1CC(=O)N(c2ccccc2F)C1 ZINC000462945450 564863950 /nfs/dbraw/zinc/86/39/50/564863950.db2.gz MNBMENSQMQHMLM-DGCLKSJQSA-N 1 0 381.249 2.568 20 0 GFADRO C[C@@H](CNC(=O)[C@H](c1cc(Cl)cc(Cl)c1)N1CCOCC1)C[NH+](C)C ZINC000557467090 564864328 /nfs/dbraw/zinc/86/43/28/564864328.db2.gz QNNMACWYPQGDOJ-GUYCJALGSA-N 1 0 388.339 2.681 20 0 GFADRO C[C@@H]1C[N@H+](C)C[C@H]1c1nc(CC(=O)Nc2ccccc2Br)no1 ZINC000463061326 564868219 /nfs/dbraw/zinc/86/82/19/564868219.db2.gz OGEFNOYDPGCABU-GHMZBOCLSA-N 1 0 379.258 2.678 20 0 GFADRO C[NH+](C)CCN1CCN(C(=O)COc2cc(Cl)c(Cl)cc2Cl)CC1 ZINC000497521183 564870326 /nfs/dbraw/zinc/87/03/26/564870326.db2.gz RZWGQWJZOQUQJD-UHFFFAOYSA-N 1 0 394.730 2.731 20 0 GFADRO COCC[N@@H+]1CC[C@H](NC(=O)Nc2ccc(Cl)cc2OCC(F)F)C1 ZINC000497533585 564870405 /nfs/dbraw/zinc/87/04/05/564870405.db2.gz BBWLTVFVCMNZIX-LBPRGKRZSA-N 1 0 377.819 2.826 20 0 GFADRO COCCOc1ccc(NC(=O)N2C[C@@H]([NH+](C)C)[C@@H](SC)C2)cc1Cl ZINC000497679402 564873733 /nfs/dbraw/zinc/87/37/33/564873733.db2.gz PSSKSZALSZETJU-ZBFHGGJFSA-N 1 0 387.933 2.875 20 0 GFADRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)NCc1cc(Br)cc2c1OCC2 ZINC000463256940 564874711 /nfs/dbraw/zinc/87/47/11/564874711.db2.gz GWFTWMKJSADHEZ-ZDUSSCGKSA-N 1 0 396.329 2.867 20 0 GFADRO C[C@@H](O)C[N@@H+]1CCN(C(=O)CCc2nc3cc(Cl)ccc3s2)[C@@H](C)C1 ZINC000530290624 564874701 /nfs/dbraw/zinc/87/47/01/564874701.db2.gz DBABAPAADQLODL-QWHCGFSZSA-N 1 0 381.929 2.796 20 0 GFADRO O=C(NCc1cc(Br)cc2c1OCC2)N1CC[NH+](CC2CC2)CC1 ZINC000463266930 564874745 /nfs/dbraw/zinc/87/47/45/564874745.db2.gz OXNOAFMTGNCNRH-UHFFFAOYSA-N 1 0 394.313 2.621 20 0 GFADRO C[C@H](CNS(=O)(=O)Cc1ccccc1Br)C[NH+]1CCCC1 ZINC000557805168 564877911 /nfs/dbraw/zinc/87/79/11/564877911.db2.gz UGASYGLMLGXPGD-CYBMUJFWSA-N 1 0 375.332 2.600 20 0 GFADRO CC[N@H+](C[C@H](C)OC)[C@@H](C)C(=O)Nc1ccc(I)cc1 ZINC000463419365 564880051 /nfs/dbraw/zinc/88/00/51/564880051.db2.gz VHOJVPAETQJERI-RYUDHWBXSA-N 1 0 390.265 2.975 20 0 GFADRO O=S(=O)(c1ccc(F)cc1C(F)(F)F)N1CCC2(CC[NH2+]CC2)CC1 ZINC000583203786 564880678 /nfs/dbraw/zinc/88/06/78/564880678.db2.gz SDVGXEBLDZSNRD-UHFFFAOYSA-N 1 0 380.407 2.999 20 0 GFADRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNS(=O)(=O)Cc1cccc(Br)c1 ZINC000557846722 564882011 /nfs/dbraw/zinc/88/20/11/564882011.db2.gz NNZWQGAXWWJVFH-HNNXBMFYSA-N 1 0 389.359 2.989 20 0 GFADRO COC(=O)[C@@H]1CC[N@@H+]([C@H]2CCCN(c3ccc(Br)c(C)c3)C2=O)C1 ZINC000463504947 564883247 /nfs/dbraw/zinc/88/32/47/564883247.db2.gz YTNULADFSWSNNQ-CJNGLKHVSA-N 1 0 395.297 2.748 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CC[NH2+]C[C@@H](O)CC(F)(F)F ZINC000583257884 564883252 /nfs/dbraw/zinc/88/32/52/564883252.db2.gz CNSFYFAOQSQAJU-NSHDSACASA-N 1 0 383.208 2.989 20 0 GFADRO C[N@@H+]1CC[C@H](CNC(=O)c2c(Cl)cccc2I)C1 ZINC000463759830 564888654 /nfs/dbraw/zinc/88/86/54/564888654.db2.gz LJXUUAZUZANZSD-SECBINFHSA-N 1 0 378.641 2.626 20 0 GFADRO C[C@H]1CC[N@H+](CCNC(=O)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000530806148 564894872 /nfs/dbraw/zinc/89/48/72/564894872.db2.gz IAPKQLUZMKMRGM-JTQLQIEISA-N 1 0 377.794 2.755 20 0 GFADRO COCCN(CC[NH+](C)C)C(=O)NCc1cc(Cl)ccc1Br ZINC000583497071 564894909 /nfs/dbraw/zinc/89/49/09/564894909.db2.gz USIIHMOSXWNDOJ-UHFFFAOYSA-N 1 0 392.725 2.822 20 0 GFADRO CC[NH+]1C[C@H](C)N(C(=O)CSc2nnc(-c3cccs3)n2C)[C@@H](C)C1 ZINC000558194452 564895340 /nfs/dbraw/zinc/89/53/40/564895340.db2.gz WCEORPARXCSMGK-STQMWFEESA-N 1 0 379.555 2.577 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCCN(S(=O)(=O)N(C)C)C1)C1CCC(C(F)(F)F)CC1 ZINC000558259854 564897391 /nfs/dbraw/zinc/89/73/91/564897391.db2.gz YARGELMKDJLMRL-VXGQWTEUSA-N 1 0 385.496 2.604 20 0 GFADRO CC(C)(O)C[N@H+](C[C@@H](O)COc1cc(Cl)ccc1Cl)C1CCOCC1 ZINC000530938883 564897833 /nfs/dbraw/zinc/89/78/33/564897833.db2.gz JKLFFUMIUDPCCO-OAHLLOKOSA-N 1 0 392.323 2.985 20 0 GFADRO CC[N@@H+]1C[C@@H](C)N(C(=O)Cc2cccc(I)c2)C[C@@H]1C ZINC000498571189 564902486 /nfs/dbraw/zinc/90/24/86/564902486.db2.gz JOBHGHJHWLTBMT-QWHCGFSZSA-N 1 0 386.277 2.775 20 0 GFADRO C[NH+](C)Cc1ccc(S(=O)(=O)NC[C@]2(C)OCCc3sccc32)cc1 ZINC000558483161 564903184 /nfs/dbraw/zinc/90/31/84/564903184.db2.gz BWUKMFGFKGKWTR-SFHVURJKSA-N 1 0 380.535 2.576 20 0 GFADRO COCC[N@@H+]1CCCN(C(=O)CCc2ccc(Br)c(C)c2)CC1 ZINC000531196515 564903860 /nfs/dbraw/zinc/90/38/60/564903860.db2.gz VSPWVTCGSYTVEW-UHFFFAOYSA-N 1 0 383.330 2.871 20 0 GFADRO C[C@@H]1CC[N@H+](C)CCN1C(=O)[C@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1 ZINC000498708658 564906345 /nfs/dbraw/zinc/90/63/45/564906345.db2.gz VXROATBVQTWUMW-OLZOCXBDSA-N 1 0 384.307 2.899 20 0 GFADRO Cc1cc(N2CCC[C@H]([N@@H+]3CC[C@H]([C@@H](C)O)C3)C2=O)ccc1Br ZINC000464490782 564908197 /nfs/dbraw/zinc/90/81/97/564908197.db2.gz OUBRPNIONASXDZ-KEYYUXOJSA-N 1 0 381.314 2.956 20 0 GFADRO Cc1cccc2ncc(C[NH2+]CCNC(=O)c3cccc(Br)c3)n21 ZINC000531380810 564908543 /nfs/dbraw/zinc/90/85/43/564908543.db2.gz DEPMZRUMQALTQT-UHFFFAOYSA-N 1 0 387.281 2.925 20 0 GFADRO CC[NH+](CC)CCN(C(=O)C1=CCOCC1)c1ccc(Br)cn1 ZINC000583875294 564910837 /nfs/dbraw/zinc/91/08/37/564910837.db2.gz CTQXBOSMPORZBS-UHFFFAOYSA-N 1 0 382.302 2.866 20 0 GFADRO C[C@@H]([NH2+]CCc1nnnn1-c1ccccc1)c1ncc(Br)s1 ZINC000558698253 564912486 /nfs/dbraw/zinc/91/24/86/564912486.db2.gz ZVCVPYQPYBEVMU-SNVBAGLBSA-N 1 0 379.287 2.775 20 0 GFADRO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@H]1CC(=O)N2CCCC[C@@H]12 ZINC000558698229 564912530 /nfs/dbraw/zinc/91/25/30/564912530.db2.gz ZGYGYDUQLUKKMF-KCXAZCMYSA-N 1 0 394.313 2.909 20 0 GFADRO C[C@@H](O)CC(C)(C)C[NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000583929500 564913109 /nfs/dbraw/zinc/91/31/09/564913109.db2.gz NOCMMCQKYBCFKR-BXUZGUMPSA-N 1 0 378.282 2.715 20 0 GFADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@@H](c1ccccc1F)[C@H](C)O ZINC000583999026 564915892 /nfs/dbraw/zinc/91/58/92/564915892.db2.gz SLXBUNVCOWACBO-BWACUDIHSA-N 1 0 383.261 2.850 20 0 GFADRO CC[C@H](NC(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1)[C@H](O)C(F)(F)F ZINC000499087957 564917430 /nfs/dbraw/zinc/91/74/30/564917430.db2.gz CFRQIHRHCAKCSZ-OBJOEFQTSA-N 1 0 379.448 2.886 20 0 GFADRO O=C(C[N@@H+]1C[C@@H]2CCC[C@@H]2C1)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000464897299 564920314 /nfs/dbraw/zinc/92/03/14/564920314.db2.gz PJHMQBZWCGOONP-OKILXGFUSA-N 1 0 383.323 2.769 20 0 GFADRO C[C@@H]1CCN(C(=O)Cn2cc(Br)cn2)CC[N@@H+]1Cc1ccccc1 ZINC000464897030 564920333 /nfs/dbraw/zinc/92/03/33/564920333.db2.gz VODJSOMSLKXNCY-OAHLLOKOSA-N 1 0 391.313 2.769 20 0 GFADRO COc1ccc(Br)cc1C(=O)CCC(=O)NCCCC[NH+](C)C ZINC000499205673 564920425 /nfs/dbraw/zinc/92/04/25/564920425.db2.gz DLWPJCPZHLOBRA-UHFFFAOYSA-N 1 0 385.302 2.879 20 0 GFADRO CCc1nn(C)c(CC)c1CNC(=O)[C@@](C)([NH3+])c1ccc(Br)cc1 ZINC000584111855 564921802 /nfs/dbraw/zinc/92/18/02/564921802.db2.gz YJIMRRIXNGZVKH-SFHVURJKSA-N 1 0 393.329 2.798 20 0 GFADRO COc1cc(Cl)c(S(=O)(=O)N2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc1OC ZINC000584163663 564923429 /nfs/dbraw/zinc/92/34/29/564923429.db2.gz WQGIFDUMEAAYKW-TZMCWYRMSA-N 1 0 388.917 2.510 20 0 GFADRO COc1cc(OC)c(NC(=O)NCCNc2cc[nH+]cc2)cc1Br ZINC000499312883 564923634 /nfs/dbraw/zinc/92/36/34/564923634.db2.gz YVBDNHXLNDPCFZ-UHFFFAOYSA-N 1 0 395.257 2.517 20 0 GFADRO C[C@H]([NH2+]Cc1cnn(CC(F)(F)F)c1)c1cccc(NS(C)(=O)=O)c1 ZINC000531988919 564925929 /nfs/dbraw/zinc/92/59/29/564925929.db2.gz VTKALTWKMBQMEB-NSHDSACASA-N 1 0 376.404 2.668 20 0 GFADRO C[C@@H]1CN(CCC[NH2+]Cc2cn3ccc(Br)cc3n2)C[C@@H](C)O1 ZINC000584260982 564927901 /nfs/dbraw/zinc/92/79/01/564927901.db2.gz GDSCTHOTBWYMAO-ZIAGYGMSSA-N 1 0 381.318 2.686 20 0 GFADRO Cc1ccc(C(=O)N2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)cc1Br ZINC000532088560 564929188 /nfs/dbraw/zinc/92/91/88/564929188.db2.gz LIPPYKMCUCJTCA-KRWDZBQOSA-N 1 0 394.357 2.998 20 0 GFADRO [NH3+]CCc1nc(C(=O)N2CCc3c(Br)ccc(F)c3C2)cs1 ZINC000584292407 564929710 /nfs/dbraw/zinc/92/97/10/564929710.db2.gz PUUOGUXSRRYQPL-UHFFFAOYSA-N 1 0 384.274 2.744 20 0 GFADRO COc1ccc(Br)c(CNC(=O)N2CC[C@H]([NH+]3CC=CC3)C2)c1 ZINC000465656391 564930726 /nfs/dbraw/zinc/93/07/26/564930726.db2.gz IHRBKKBLSAPMRK-AWEZNQCLSA-N 1 0 380.286 2.613 20 0 GFADRO CS[C@@H](C)CNC(=O)C(=O)NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000559382159 564932018 /nfs/dbraw/zinc/93/20/18/564932018.db2.gz OXAFSCYRCHHKLZ-GJZGRUSLSA-N 1 0 383.583 2.505 20 0 GFADRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1ccc(-n2cc(Br)cn2)cc1 ZINC000532331813 564934757 /nfs/dbraw/zinc/93/47/57/564934757.db2.gz RCDINVIVNMQNIZ-SJCJKPOMSA-N 1 0 389.297 2.847 20 0 GFADRO C[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1)[C@H]1CCOC1 ZINC000466107234 564935488 /nfs/dbraw/zinc/93/54/88/564935488.db2.gz CAPZNTRKLADNOP-HOCLYGCPSA-N 1 0 398.345 2.947 20 0 GFADRO COC(=O)C[C@H](C)NC(=O)[C@@H](c1ccc(Br)cc1)N1CCCC1 ZINC000466354709 564938502 /nfs/dbraw/zinc/93/85/02/564938502.db2.gz ZWUCKACHLBUHEY-BLLLJJGKSA-N 1 0 383.286 2.654 20 0 GFADRO CC(C)[NH+]1CCN(C(=O)NC[C@H](C)Oc2ccc(Br)cc2)CC1 ZINC000466379505 564938736 /nfs/dbraw/zinc/93/87/36/564938736.db2.gz YOQOFAGFJHMYPA-AWEZNQCLSA-N 1 0 384.318 2.952 20 0 GFADRO COCc1ccc(C[NH2+]CCCNS(=O)(=O)c2ccccc2Cl)cc1 ZINC000466380065 564938744 /nfs/dbraw/zinc/93/87/44/564938744.db2.gz KJFLMWVFGCBFRW-UHFFFAOYSA-N 1 0 382.913 2.945 20 0 GFADRO Cc1cc(C[NH2+]Cc2ccc(C(N)=O)cc2)ccc1I ZINC000466365661 564938974 /nfs/dbraw/zinc/93/89/74/564938974.db2.gz XMXKYERGAXBKMA-UHFFFAOYSA-N 1 0 380.229 2.988 20 0 GFADRO CC[N@H+](CC(=O)N(C)CC(=O)Nc1ccc(Br)cc1C)C(C)C ZINC000532483954 564939140 /nfs/dbraw/zinc/93/91/40/564939140.db2.gz KBZAAOYIUUXPAM-UHFFFAOYSA-N 1 0 384.318 2.885 20 0 GFADRO O=C(NCc1c(Cl)cccc1Cl)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000559799739 564940478 /nfs/dbraw/zinc/94/04/78/564940478.db2.gz ADHHJORKRUWTHN-UHFFFAOYSA-N 1 0 384.307 2.600 20 0 GFADRO C[NH+](C)CCN(Cc1ccccn1)C(=O)Nc1cc(Br)ccn1 ZINC000499933918 564941164 /nfs/dbraw/zinc/94/11/64/564941164.db2.gz VYPDGUKDRGBFBT-UHFFFAOYSA-N 1 0 378.274 2.835 20 0 GFADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)Nc1cc(Br)cc(OC)c1 ZINC000500077960 564944600 /nfs/dbraw/zinc/94/46/00/564944600.db2.gz BHLAGFYLMKRAQC-AWEZNQCLSA-N 1 0 386.290 2.690 20 0 GFADRO O=S(=O)(c1cccc(Br)c1Cl)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000560026660 564945571 /nfs/dbraw/zinc/94/55/71/564945571.db2.gz ABQZPPFCLSKASZ-LLVKDONJSA-N 1 0 393.734 2.961 20 0 GFADRO C[NH+](C)[C@H]1CCCN(S(=O)(=O)c2cccc(Br)c2Cl)C1 ZINC000560028379 564945650 /nfs/dbraw/zinc/94/56/50/564945650.db2.gz MFVNBMFTLQBOCI-JTQLQIEISA-N 1 0 381.723 2.817 20 0 GFADRO C[C@@H]1C[C@@H]1[N@@H+]1CCN(C(=O)C(=O)Nc2ccccc2Br)C[C@@H](C)C1 ZINC000560146283 564951610 /nfs/dbraw/zinc/95/16/10/564951610.db2.gz SBWQSJJIWYZQRB-ZENOOKHLSA-N 1 0 394.313 2.576 20 0 GFADRO COC(=O)C[N@H+](CCC(=O)Nc1cc(Cl)ccc1Cl)C1CCOCC1 ZINC000532988993 564952067 /nfs/dbraw/zinc/95/20/67/564952067.db2.gz ZXVBJNXQJIPMMD-UHFFFAOYSA-N 1 0 389.279 2.976 20 0 GFADRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1cnn(-c2ccc(Br)cc2)c1 ZINC000467024511 564953133 /nfs/dbraw/zinc/95/31/33/564953133.db2.gz PBCPKZLTDHBMCT-SJKOYZFVSA-N 1 0 389.297 2.847 20 0 GFADRO CCC(=O)N[C@H]1CCC[N@H+](C[C@@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000500463379 564954267 /nfs/dbraw/zinc/95/42/67/564954267.db2.gz NPGRHOWUMOBOGJ-UONOGXRCSA-N 1 0 375.296 2.724 20 0 GFADRO Cc1nn(C)cc1[C@@H](C)[NH2+]CC(=O)Nc1ccc(I)cc1 ZINC000560267469 564955576 /nfs/dbraw/zinc/95/55/76/564955576.db2.gz DEPBBLIOXUPXAI-SNVBAGLBSA-N 1 0 398.248 2.622 20 0 GFADRO CS(=O)(=O)NC[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(Br)c(Cl)c1 ZINC000500499811 564956099 /nfs/dbraw/zinc/95/60/99/564956099.db2.gz FOKHSOONKVHBIV-SMDDNHRTSA-N 1 0 395.750 2.910 20 0 GFADRO CS(=O)(=O)NC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(OC(F)F)c(Cl)c1 ZINC000500506605 564956236 /nfs/dbraw/zinc/95/62/36/564956236.db2.gz DZVPPQFRYZMLBK-AAEUAGOBSA-N 1 0 382.860 2.749 20 0 GFADRO CSc1ncc(Cl)c(C(=O)N2CC[C@H](OCC[NH+]3CCCCC3)C2)n1 ZINC000533183551 564957868 /nfs/dbraw/zinc/95/78/68/564957868.db2.gz WVBWUNHZHRSGJP-ZDUSSCGKSA-N 1 0 384.933 2.569 20 0 GFADRO O=c1cc(C[NH2+][C@@H]2CCC[C@H]2OC(F)F)nc2ccc(Br)cn12 ZINC000560409299 564960063 /nfs/dbraw/zinc/96/00/63/564960063.db2.gz DLTFOSRBSXENMM-VXGBXAGGSA-N 1 0 388.212 2.707 20 0 GFADRO CO[C@@H]1C[N@H+](C[C@H](O)COc2cc(F)cc(Br)c2)CC[C@H]1C ZINC000467288033 564960258 /nfs/dbraw/zinc/96/02/58/564960258.db2.gz LOCIKVSYMKLSBO-DIOULYMOSA-N 1 0 376.266 2.685 20 0 GFADRO CC[NH+](CC)CCN(Cc1cccs1)S(=O)(=O)c1cc(C)cnc1N ZINC000500816012 564962889 /nfs/dbraw/zinc/96/28/89/564962889.db2.gz DPHBVPHNRIJGOG-UHFFFAOYSA-N 1 0 382.555 2.566 20 0 GFADRO COc1ccc(C(=O)N2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)c(Br)c1 ZINC000533478432 564963024 /nfs/dbraw/zinc/96/30/24/564963024.db2.gz XKMWYGUWTLHRBS-OAUYIBNBSA-N 1 0 397.313 2.781 20 0 GFADRO CC[N@@H+]1CC[C@H](Nc2cnc(N3CCOCC3)c(Br)c2)[C@H](C)C1 ZINC000467435326 564963323 /nfs/dbraw/zinc/96/33/23/564963323.db2.gz RZPNXSJEXDFYCT-CJNGLKHVSA-N 1 0 383.334 2.823 20 0 GFADRO Cc1cc(Cl)ccc1S(=O)(=O)NCC[NH2+][C@H](C)Cc1ccc(O)cc1 ZINC000560524042 564966530 /nfs/dbraw/zinc/96/65/30/564966530.db2.gz LVFLDXFJSNLWCS-CQSZACIVSA-N 1 0 382.913 2.853 20 0 GFADRO CCOc1c(Cl)cc(NC(=O)C(=O)NC[C@H]2CCC[N@@H+]2CC)cc1Cl ZINC000467625418 564968897 /nfs/dbraw/zinc/96/88/97/564968897.db2.gz RIWRWFBZDFSLFA-GFCCVEGCSA-N 1 0 388.295 2.931 20 0 GFADRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1cn(-c2ccc(Br)cc2)cn1 ZINC000533694588 564970001 /nfs/dbraw/zinc/97/00/01/564970001.db2.gz YQSPMWBNPWJRHW-BLLLJJGKSA-N 1 0 389.297 2.847 20 0 GFADRO CC[NH+](CC)CCSCC(=O)Nc1ccc(Cl)c(N2CCNC2=O)c1 ZINC000467704514 564970436 /nfs/dbraw/zinc/97/04/36/564970436.db2.gz JZDUDSXWYFPYSO-UHFFFAOYSA-N 1 0 384.933 2.883 20 0 GFADRO CN1CCO[C@H]([C@H](NC[C@@]2([NH+](C)C)CCSC2)c2ccc(Cl)cc2)C1 ZINC000467750647 564970889 /nfs/dbraw/zinc/97/08/89/564970889.db2.gz AMJJHGUPXCCURE-OTWHNJEPSA-N 1 0 383.989 2.739 20 0 GFADRO CC[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)N[C@@H](C)CC[NH+](C)C ZINC000560670399 564971557 /nfs/dbraw/zinc/97/15/57/564971557.db2.gz PCTPRGZHSZZVJG-WFASDCNBSA-N 1 0 388.339 2.887 20 0 GFADRO C[N@H+](CC1CC1)C[C@@H]1CCN(S(=O)(=O)c2ccc(Br)s2)C1 ZINC000467786181 564972658 /nfs/dbraw/zinc/97/26/58/564972658.db2.gz HYDNAGJQGMCASH-LBPRGKRZSA-N 1 0 393.372 2.863 20 0 GFADRO CC[NH+](CC)C[C@@H](C)NC(=O)C[C@@H](NC(C)=O)c1ccc(Br)cc1 ZINC000501224522 564974158 /nfs/dbraw/zinc/97/41/58/564974158.db2.gz BTXWUDCJHARCOY-CXAGYDPISA-N 1 0 398.345 2.863 20 0 GFADRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)Cc1ccccc1I ZINC000560760338 564974959 /nfs/dbraw/zinc/97/49/59/564974959.db2.gz MYERNPIMWHAAOH-UKRRQHHQSA-N 1 0 398.288 2.919 20 0 GFADRO C[N@H+](CC(=O)N[C@H](c1cncc(Br)c1)C1CC1)[C@@H]1CCSC1 ZINC000501305432 564976751 /nfs/dbraw/zinc/97/67/51/564976751.db2.gz HEQQBBSQYWNOJI-ZBFHGGJFSA-N 1 0 384.343 2.849 20 0 GFADRO CC[N@H+](CCNC(=O)C(=O)N[C@H](C)Cc1ccc(Cl)cc1Cl)C(C)C ZINC000560876512 564978622 /nfs/dbraw/zinc/97/86/22/564978622.db2.gz OAUHOLOOWJOYQA-CYBMUJFWSA-N 1 0 388.339 2.887 20 0 GFADRO COCCN1CC[C@H]([NH2+]Cc2ccc(I)cc2Cl)C1 ZINC000501418839 564979027 /nfs/dbraw/zinc/97/90/27/564979027.db2.gz DXDPEVUKRTTWJN-ZDUSSCGKSA-N 1 0 394.684 2.755 20 0 GFADRO CS[C@H]1CN(C(=O)Cc2csc(-c3cccc(F)c3)n2)C[C@H]1[NH+](C)C ZINC000534091755 564979546 /nfs/dbraw/zinc/97/95/46/564979546.db2.gz OZYVOPMLIDBZBG-CVEARBPZSA-N 1 0 379.526 2.996 20 0 GFADRO CN(C)S(=O)(=O)N1CCC[C@@H]([NH2+][C@H]2CC[C@H](c3cccc(Cl)c3)C2)C1 ZINC000560897042 564979583 /nfs/dbraw/zinc/97/95/83/564979583.db2.gz SEODJVBVTARGNP-RYQLBKOJSA-N 1 0 385.961 2.837 20 0 GFADRO CC1CC[NH+](C[C@@H](O)CNCc2c(F)ccc(Br)c2F)CC1 ZINC000501478151 564980981 /nfs/dbraw/zinc/98/09/81/564980981.db2.gz NOSLSYHQOOOYMN-LBPRGKRZSA-N 1 0 377.273 2.910 20 0 GFADRO [NH3+]C[C@H]1CCCN(C(=O)C(=O)Nc2ccc(Br)c3ccccc23)C1 ZINC000561003717 564981088 /nfs/dbraw/zinc/98/10/88/564981088.db2.gz SPFSPJDMMJHCFT-GFCCVEGCSA-N 1 0 390.281 2.738 20 0 GFADRO CS[C@@H]1CN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)C[C@@H]1[NH+](C)C ZINC000534172436 564981566 /nfs/dbraw/zinc/98/15/66/564981566.db2.gz ZIXMBCCYUFSLRA-UONOGXRCSA-N 1 0 383.366 2.801 20 0 GFADRO Cn1ccnc1[C@H](NC(=O)C[N@H+](C)[C@@H]1CCSC1)c1ccc(Cl)cc1 ZINC000534268736 564983823 /nfs/dbraw/zinc/98/38/23/564983823.db2.gz PHNZEUAFAHYIDB-NVXWUHKLSA-N 1 0 378.929 2.716 20 0 GFADRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)CNC(=O)c1ccc(Cl)c(Cl)c1 ZINC000468457984 564984179 /nfs/dbraw/zinc/98/41/79/564984179.db2.gz HVLYYGJUKDABHO-HNNXBMFYSA-N 1 0 386.323 2.960 20 0 GFADRO CO[C@H](CCNC(=O)NCC1([NH+]2CCSCC2)CCCC1)C(F)(F)F ZINC000468520723 564985791 /nfs/dbraw/zinc/98/57/91/564985791.db2.gz BAWHABONVDISBH-CYBMUJFWSA-N 1 0 383.480 2.615 20 0 GFADRO CNS(=O)(=O)CC[NH2+]Cc1ccc(Oc2cccc(Br)c2)cc1 ZINC000468601404 564987326 /nfs/dbraw/zinc/98/73/26/564987326.db2.gz MNDIUKBHGQVHCE-UHFFFAOYSA-N 1 0 399.310 2.880 20 0 GFADRO C[C@H](O)C[N@@H+]1CCN(Cc2cccc(Br)c2OC(F)F)[C@H](C)C1 ZINC000502000700 564989644 /nfs/dbraw/zinc/98/96/44/564989644.db2.gz LSJYKRNBVQOCEJ-NEPJUHHUSA-N 1 0 393.272 2.937 20 0 GFADRO Cc1ccnc(N2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c1Br ZINC000561282808 564989950 /nfs/dbraw/zinc/98/99/50/564989950.db2.gz RNDGKDIWBHCFKH-XYPWUTKMSA-N 1 0 379.346 2.900 20 0 GFADRO C[C@H](C[NH2+]Cc1cn(-c2ccc(Cl)cc2Cl)nn1)CN1CCOCC1 ZINC000534467400 564990089 /nfs/dbraw/zinc/99/00/89/564990089.db2.gz IJWQIFVZPLJOSM-CYBMUJFWSA-N 1 0 384.311 2.632 20 0 GFADRO C[C@@H](Cc1cccc(Br)c1)NC(=O)NCCNc1cc[nH+]cc1 ZINC000534525206 564990869 /nfs/dbraw/zinc/99/08/69/564990869.db2.gz URLRJEXNHBATGL-ZDUSSCGKSA-N 1 0 377.286 2.608 20 0 GFADRO C[C@@H](C[NH+]1CCOCC1)C(=O)NCCCc1ccc(Br)cc1F ZINC000502061644 564991000 /nfs/dbraw/zinc/99/10/00/564991000.db2.gz VFGKHYPDVGXJJC-ZDUSSCGKSA-N 1 0 387.293 2.605 20 0 GFADRO COc1ccc([C@H](C)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)c(Br)c1 ZINC000561469132 564996357 /nfs/dbraw/zinc/99/63/57/564996357.db2.gz ZYLNCESDWAWEKJ-KBPBESRZSA-N 1 0 398.345 2.696 20 0 GFADRO C[C@@H]([NH2+][C@@H](C)CCc1ccc(I)cc1)C(=O)NCCF ZINC000502364808 564996539 /nfs/dbraw/zinc/99/65/39/564996539.db2.gz JEJKWPAQUBHTBX-NWDGAFQWSA-N 1 0 392.256 2.676 20 0 GFADRO C[NH+](C)CCC1CCN(S(=O)(=O)Cc2ccccc2Br)CC1 ZINC000561530985 564999558 /nfs/dbraw/zinc/99/95/58/564999558.db2.gz FTNJJTHXDOWGOO-UHFFFAOYSA-N 1 0 389.359 2.943 20 0 GFADRO NC(=O)CCC1CC[NH+](C[C@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000502532247 565001028 /nfs/dbraw/zinc/00/10/28/565001028.db2.gz XLYJXMMOUCCXKA-ZDUSSCGKSA-N 1 0 375.296 2.711 20 0 GFADRO COc1ccccc1S(=O)(=O)CCC[NH2+][C@@H]1CCCC[C@H]1OC(F)F ZINC000502529640 565001111 /nfs/dbraw/zinc/00/11/11/565001111.db2.gz NRRGIOMXCMFMMJ-ZIAGYGMSSA-N 1 0 377.453 2.999 20 0 GFADRO O=C1[C@@H]([NH2+][C@]2(Cc3ccc(Cl)cc3)CCOC2)CCN1CC(F)(F)F ZINC000502534983 565001166 /nfs/dbraw/zinc/00/11/66/565001166.db2.gz FGIXFWRRHNLBSO-HOCLYGCPSA-N 1 0 376.806 2.794 20 0 GFADRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1S(=O)(=O)c1ccc(Br)cc1F ZINC000561552374 565001443 /nfs/dbraw/zinc/00/14/43/565001443.db2.gz OCBKYMDTMBVPDS-RISCZKNCSA-N 1 0 391.306 2.836 20 0 GFADRO C[NH+](C)CCn1nccc1NC(=O)[C@H]1C[C@H]1c1cccc(Br)c1 ZINC000561606829 565003769 /nfs/dbraw/zinc/00/37/69/565003769.db2.gz FIJQWOVSKSZPNM-GJZGRUSLSA-N 1 0 377.286 2.949 20 0 GFADRO CC(C)[N@@H+]1CCCN(C(=O)[C@@H]2CC(=O)Nc3ccc(Br)cc32)CC1 ZINC000469062730 565004080 /nfs/dbraw/zinc/00/40/80/565004080.db2.gz RTXAGLDFMYVNQU-OAHLLOKOSA-N 1 0 394.313 2.818 20 0 GFADRO CNC(=O)[C@H]1CCC[C@H]1[NH2+]CC(=O)Nc1c(Cl)cccc1C(F)(F)F ZINC000502866833 565007824 /nfs/dbraw/zinc/00/78/24/565007824.db2.gz IBVFIWMWWMKTRU-JOYOIKCWSA-N 1 0 377.794 2.802 20 0 GFADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)NC[C@@]1(C)CCOC1 ZINC000502890181 565008389 /nfs/dbraw/zinc/00/83/89/565008389.db2.gz VTOMQFKNAVODMZ-GOSISDBHSA-N 1 0 398.345 2.949 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC000469177648 565008429 /nfs/dbraw/zinc/00/84/29/565008429.db2.gz BPBVLJLPZKLCFP-BETUJISGSA-N 1 0 382.302 2.685 20 0 GFADRO COc1cccc(N2CC[C@H]([NH2+][C@@H](C)Cn3cc(Br)cn3)C2)c1 ZINC000469181376 565008481 /nfs/dbraw/zinc/00/84/81/565008481.db2.gz YTJROLPCZSRSEQ-ZFWWWQNUSA-N 1 0 379.302 2.911 20 0 GFADRO O=C(NCCNc1cc[nH+]cc1)N[C@H]1C[C@H]1c1cccc(Br)c1 ZINC000535263233 565009169 /nfs/dbraw/zinc/00/91/69/565009169.db2.gz SCWLPKHGYQFOLX-HOTGVXAUSA-N 1 0 375.270 2.533 20 0 GFADRO CC[NH+](CC)CCNC(=O)N[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000502940755 565009440 /nfs/dbraw/zinc/00/94/40/565009440.db2.gz MLVYPHCDZZXIMC-OAHLLOKOSA-N 1 0 383.334 2.669 20 0 GFADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)[C@@H]1[C@H]2CCCO[C@H]21 ZINC000503070866 565011717 /nfs/dbraw/zinc/01/17/17/565011717.db2.gz WFMUHSYJQWHVQS-BRWVUGGUSA-N 1 0 381.314 2.764 20 0 GFADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)[C@@H]1[C@@H]2CCCO[C@H]12 ZINC000503070863 565011828 /nfs/dbraw/zinc/01/18/28/565011828.db2.gz WFMUHSYJQWHVQS-BBWFWOEESA-N 1 0 381.314 2.764 20 0 GFADRO CC[N@H+](CCC1CCN(Cc2nnc(S(C)(=O)=O)s2)CC1)CC(C)C ZINC000503172114 565012852 /nfs/dbraw/zinc/01/28/52/565012852.db2.gz WKZKXUNLTSQGCA-UHFFFAOYSA-N 1 0 388.603 2.522 20 0 GFADRO O=C(Nc1c[nH]cc(Br)c1=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000535562661 565015556 /nfs/dbraw/zinc/01/55/56/565015556.db2.gz OKYOYOSESAJXDM-CQSZACIVSA-N 1 0 390.281 2.988 20 0 GFADRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)c1cc(Br)cc2nc[nH]c21 ZINC000503326303 565017779 /nfs/dbraw/zinc/01/77/79/565017779.db2.gz YJEGKNQIVALAKM-CYBMUJFWSA-N 1 0 395.301 2.508 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@H]1CC(=O)Nc2ccc(Br)cc21 ZINC000469528864 565019629 /nfs/dbraw/zinc/01/96/29/565019629.db2.gz JQHYQTZCROEPRQ-HIFRSBDPSA-N 1 0 394.313 2.818 20 0 GFADRO CS[C@H]1CN(C(=O)Cc2c(F)ccc(Br)c2F)C[C@@H]1[NH+](C)C ZINC000503538988 565022413 /nfs/dbraw/zinc/02/24/13/565022413.db2.gz OCQGTWUIWJMIFF-STQMWFEESA-N 1 0 393.297 2.774 20 0 GFADRO CN(C(=O)c1cn(-c2ccc(Br)cc2)cn1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000535913187 565024443 /nfs/dbraw/zinc/02/44/43/565024443.db2.gz GASQXNMVMNHEHT-INIZCTEOSA-N 1 0 389.297 2.944 20 0 GFADRO CC[C@H](C[N@H+](C)C[C@H](O)CN1CCOCC1)Oc1ccc(Cl)c(Cl)c1 ZINC000469743617 565025702 /nfs/dbraw/zinc/02/57/02/565025702.db2.gz URTYTXZIZXVYID-LSDHHAIUSA-N 1 0 391.339 2.776 20 0 GFADRO C[C@@H](c1cccc(N2CCCS2(=O)=O)c1)[N@H+](C)C[C@H](O)CC(F)(F)F ZINC000469775255 565027372 /nfs/dbraw/zinc/02/73/72/565027372.db2.gz JVGXPZDQWFOIPG-SWLSCSKDSA-N 1 0 380.432 2.533 20 0 GFADRO CO[C@@H]1CCN(Cc2ccc(OC(F)F)c(Br)c2)[C@@H](C[NH3+])C1 ZINC000469882962 565030929 /nfs/dbraw/zinc/03/09/29/565030929.db2.gz VTNPWHADDWGXKU-VXGBXAGGSA-N 1 0 379.245 2.989 20 0 GFADRO COC(=O)[C@@H]1CC[N@H+](CCC(=O)Nc2ccc(Br)cc2F)[C@@H]1C ZINC000469999401 565034853 /nfs/dbraw/zinc/03/48/53/565034853.db2.gz APWPJADHXHFLKP-ZYHUDNBSSA-N 1 0 387.249 2.800 20 0 GFADRO CC[C@H](Cc1ccccc1Br)NC(=O)NCC[N@H+](C)CCOC ZINC000470055343 565036616 /nfs/dbraw/zinc/03/66/16/565036616.db2.gz OFRRBFPXIJSWBP-OAHLLOKOSA-N 1 0 386.334 2.648 20 0 GFADRO COc1ccc(CNC(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1Br ZINC000562796946 565043364 /nfs/dbraw/zinc/04/33/64/565043364.db2.gz KNOAYADYYTTYLH-GJZGRUSLSA-N 1 0 396.329 2.989 20 0 GFADRO CCC[NH+]1CCC(NC(=O)N[C@@H](CO)c2ccc(Br)cc2)CC1 ZINC000504814449 565044456 /nfs/dbraw/zinc/04/44/56/565044456.db2.gz SUUFREFPBDRMJQ-INIZCTEOSA-N 1 0 384.318 2.656 20 0 GFADRO CC(=O)Nc1ccc(S(=O)(=O)N2CCCC[C@H]2[C@@H]2CCC[NH2+]2)cc1Cl ZINC000562841758 565044724 /nfs/dbraw/zinc/04/47/24/565044724.db2.gz RLPMZGPPXXDLAX-IRXDYDNUSA-N 1 0 385.917 2.594 20 0 GFADRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N(CCO)Cc1ccc(Cl)c(Cl)c1 ZINC000504830182 565045043 /nfs/dbraw/zinc/04/50/43/565045043.db2.gz FIPNVZQPXVHQTP-SJCJKPOMSA-N 1 0 386.323 2.980 20 0 GFADRO CCc1nc(C)c([C@H](C)[NH2+]CCc2ccc(OC)c(S(N)(=O)=O)c2)s1 ZINC000536842395 565048433 /nfs/dbraw/zinc/04/84/33/565048433.db2.gz ZWXWVUJACZWFNR-NSHDSACASA-N 1 0 383.539 2.563 20 0 GFADRO CO[C@@H]1CCN(C(=O)CCc2cc(Cl)ccc2Br)[C@H](C[NH3+])C1 ZINC000562972144 565050045 /nfs/dbraw/zinc/05/00/45/565050045.db2.gz GHUCJYOIHXIGFC-UONOGXRCSA-N 1 0 389.721 3.000 20 0 GFADRO O=C(C[C@H]1COCC[NH2+]1)N1CCCC[C@@H]1Cc1cccc(Br)c1 ZINC000562980753 565050437 /nfs/dbraw/zinc/05/04/37/565050437.db2.gz KCLVDPFQSQQTKJ-DLBZAZTESA-N 1 0 381.314 2.751 20 0 GFADRO O=C(NCC[NH2+]C[C@H](O)COc1ccc(Cl)cc1Cl)c1ccccc1 ZINC000562984208 565050771 /nfs/dbraw/zinc/05/07/71/565050771.db2.gz FFLRSIGUFPKNAS-HNNXBMFYSA-N 1 0 383.275 2.753 20 0 GFADRO O[C@H](C[NH2+]CCCCn1cc(Br)cn1)COc1ccccc1F ZINC000563003944 565051135 /nfs/dbraw/zinc/05/11/35/565051135.db2.gz YPUYSEUPGSXXOL-CQSZACIVSA-N 1 0 386.265 2.594 20 0 GFADRO O=C(NCC[NH2+]C[C@@H](O)COc1ccccc1Cl)c1ccc(Cl)cc1 ZINC000562987516 565051351 /nfs/dbraw/zinc/05/13/51/565051351.db2.gz YBTMHZYQYQYDCX-OAHLLOKOSA-N 1 0 383.275 2.753 20 0 GFADRO CCOC(=O)[C@H](Cc1cc(Cl)cc(Cl)c1)NC(=O)C[N@H+](C)C(C)C ZINC000470646440 565051860 /nfs/dbraw/zinc/05/18/60/565051860.db2.gz WONYHEFFNNETDC-HNNXBMFYSA-N 1 0 375.296 2.924 20 0 GFADRO CC(C)[N@@H+]1CCC[C@@H](NC(=O)c2cc(Br)c3c(c2)OCCO3)C1 ZINC000470692566 565052890 /nfs/dbraw/zinc/05/28/90/565052890.db2.gz GWWRINKJKOTPOQ-CYBMUJFWSA-N 1 0 383.286 2.823 20 0 GFADRO Cc1sc2nc(C)nc(SCC(=O)N3CC[C@H]4C[NH2+]C[C@@H]4C3)c2c1C ZINC000563089215 565055518 /nfs/dbraw/zinc/05/55/18/565055518.db2.gz ZORFPHUWJMYHSY-UONOGXRCSA-N 1 0 376.551 2.777 20 0 GFADRO O=S(=O)(c1ccc2ccccc2c1Br)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000563129163 565056521 /nfs/dbraw/zinc/05/65/21/565056521.db2.gz DAOKWZBWQSAGED-UKRRQHHQSA-N 1 0 395.322 2.975 20 0 GFADRO COC(=O)[C@H](NC(=O)C[C@@H]1CCCC[C@H]1[NH3+])c1ccc(Br)cc1 ZINC000563152377 565057469 /nfs/dbraw/zinc/05/74/69/565057469.db2.gz QGBDUTMKWXUTSE-JGGQBBKZSA-N 1 0 383.286 2.687 20 0 GFADRO O=C(NC1(c2cccc(Br)c2)CCOCC1)[C@@H]1CC12CC[NH2+]CC2 ZINC000563154572 565057598 /nfs/dbraw/zinc/05/75/98/565057598.db2.gz QBFTYLMMLASBPM-INIZCTEOSA-N 1 0 393.325 2.961 20 0 GFADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)c3cccc(F)c3I)[C@H]2C1 ZINC000537611878 565060503 /nfs/dbraw/zinc/06/05/03/565060503.db2.gz SUJZNFPCPXPYGS-MFKMUULPSA-N 1 0 388.224 2.597 20 0 GFADRO Brc1cccc(Br)c1OCCN1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000684617419 565076628 /nfs/dbraw/zinc/07/66/28/565076628.db2.gz SUXVCFFQMDPASH-GHMZBOCLSA-N 1 0 390.119 2.742 20 0 GFADRO CCn1c(CNC(=O)C2(C[NH+](C)C)CC2)nc2cc(Br)ccc21 ZINC000635848209 565077812 /nfs/dbraw/zinc/07/78/12/565077812.db2.gz AQWVLGOJFMTMLR-UHFFFAOYSA-N 1 0 379.302 2.777 20 0 GFADRO C[C@H](NC(=O)C1(C[NH+](C)C)CC1)c1ccc(Br)cc1OCCCO ZINC000635949746 565083306 /nfs/dbraw/zinc/08/33/06/565083306.db2.gz BLHCLNIBMWEJHS-ZDUSSCGKSA-N 1 0 399.329 2.729 20 0 GFADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)c1cc2cc(Cl)sc2[nH]1 ZINC000584562615 565087771 /nfs/dbraw/zinc/08/77/71/565087771.db2.gz ROXREHVHAGHFNB-CYBMUJFWSA-N 1 0 382.917 2.555 20 0 GFADRO CC[C@H](C[NH+]1CCCC1)NS(=O)(=O)c1cccc(Br)c1F ZINC000684912703 565089046 /nfs/dbraw/zinc/08/90/46/565089046.db2.gz VCBDSMVOOZVJEB-LLVKDONJSA-N 1 0 379.295 2.741 20 0 GFADRO C[C@@H](CNC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1)Oc1cccc(Br)c1 ZINC000584580003 565089314 /nfs/dbraw/zinc/08/93/14/565089314.db2.gz HMNRVPWWZSOHHG-SWLSCSKDSA-N 1 0 382.302 2.752 20 0 GFADRO O=C(N[C@H]1C[C@@H]([NH+]2CCCC2)C1)c1cc(Br)cc2c1OCCO2 ZINC000636102413 565090063 /nfs/dbraw/zinc/09/00/63/565090063.db2.gz YOXDODABNPBQDP-BETUJISGSA-N 1 0 381.270 2.577 20 0 GFADRO CN(CCC[NH+]1CCCC1)C(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000684987056 565093149 /nfs/dbraw/zinc/09/31/49/565093149.db2.gz MVSMPUNQHHJODJ-UHFFFAOYSA-N 1 0 384.929 2.591 20 0 GFADRO O[C@H](COc1c(Cl)cccc1Cl)C[N@@H+]1CCC[C@@H]1[C@H]1COCC[C@H]1O ZINC000685005326 565093706 /nfs/dbraw/zinc/09/37/06/565093706.db2.gz JEIWSGJHEZFREQ-NSNWQYSKSA-N 1 0 390.307 2.595 20 0 GFADRO COC1(C(=O)Nc2cc(C)n(-c3ccc(Cl)c(Cl)c3)n2)CC[NH2+]CC1 ZINC000584780265 565097233 /nfs/dbraw/zinc/09/72/33/565097233.db2.gz IHKGCVMEIUSBOS-UHFFFAOYSA-N 1 0 383.279 3.195 20 0 GFADRO Cc1c(Br)cncc1C[NH2+][C@H]1CCCN(CC(F)(F)F)C1=O ZINC000657413645 565099349 /nfs/dbraw/zinc/09/93/49/565099349.db2.gz PJOONTGALROJDZ-LBPRGKRZSA-N 1 0 380.208 2.795 20 0 GFADRO CC(C)(C[NH+]1CCOCC1)C(=O)N[C@@H](CO)c1cccc(Cl)c1Cl ZINC000636239698 565099985 /nfs/dbraw/zinc/09/99/85/565099985.db2.gz ARVZDHPXEJZUIF-AWEZNQCLSA-N 1 0 375.296 2.501 20 0 GFADRO Cc1c(Br)cncc1CNC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000657372163 565100235 /nfs/dbraw/zinc/10/02/35/565100235.db2.gz CENZVLCAGBUFDP-LJQANCHMSA-N 1 0 390.325 2.879 20 0 GFADRO Cc1ncsc1-c1ccc(C[NH2+][C@H]2CCC[C@@H]2CNS(C)(=O)=O)cc1 ZINC000657459565 565100907 /nfs/dbraw/zinc/10/09/07/565100907.db2.gz XUZUVGJJTYJLGN-SJORKVTESA-N 1 0 379.551 2.926 20 0 GFADRO COCc1csc(C[NH2+]Cc2ccc(N3CCCS3(=O)=O)c(F)c2)c1 ZINC000657437194 565101031 /nfs/dbraw/zinc/10/10/31/565101031.db2.gz RFKFPPMJIGRIPO-UHFFFAOYSA-N 1 0 384.498 2.863 20 0 GFADRO OC[C@H](C[NH2+]Cc1cn(C2CCC2)nn1)Cc1ccc(Br)cc1 ZINC000657449310 565101114 /nfs/dbraw/zinc/10/11/14/565101114.db2.gz UAYIXABGBFXNRG-AWEZNQCLSA-N 1 0 379.302 2.706 20 0 GFADRO Cn1nc2cc(Br)ccc2c1C(=O)NCC12CCC[NH+]1CCC2 ZINC000614230315 565102833 /nfs/dbraw/zinc/10/28/33/565102833.db2.gz OTGVLWASVHKMPV-UHFFFAOYSA-N 1 0 377.286 2.694 20 0 GFADRO CS(=O)(=O)N[C@H]1CCCC[C@H]1C[NH2+]Cc1cc(F)ccc1OC(F)F ZINC000657464907 565103689 /nfs/dbraw/zinc/10/36/89/565103689.db2.gz SZTLSKUDDAFHBJ-FZMZJTMJSA-N 1 0 380.432 2.625 20 0 GFADRO Cc1cc(Br)c(Cl)cc1NC(=O)C(=O)NCC(C)(C)[NH+](C)C ZINC000657511003 565104604 /nfs/dbraw/zinc/10/46/04/565104604.db2.gz NZPRCTKBHHVUSE-UHFFFAOYSA-N 1 0 390.709 2.806 20 0 GFADRO COCCc1ccc(OC[C@@H](O)C[NH2+]Cc2ccc(Br)cn2)cc1 ZINC000657532733 565105952 /nfs/dbraw/zinc/10/59/52/565105952.db2.gz ZNPREURASNNVGW-KRWDZBQOSA-N 1 0 395.297 2.563 20 0 GFADRO CO[C@H](C[NH2+]Cc1nc(-c2cccc(Br)c2)c[nH]1)[C@@H]1CCOC1 ZINC000657539813 565107366 /nfs/dbraw/zinc/10/73/66/565107366.db2.gz CICJCWDRIUUIOI-CZUORRHYSA-N 1 0 380.286 2.980 20 0 GFADRO CO[C@H](C[NH2+]Cc1ncc(Br)cc1Br)[C@H]1CCOC1 ZINC000657540388 565107629 /nfs/dbraw/zinc/10/76/29/565107629.db2.gz HSSDRCWLOWMBFC-TVQRCGJNSA-N 1 0 394.107 2.748 20 0 GFADRO O=C(C[NH2+]Cc1ccc(O)cc1)Nc1ccc(I)cc1 ZINC000585767611 565110704 /nfs/dbraw/zinc/11/07/04/565110704.db2.gz MDRHKGTVZXRXGY-UHFFFAOYSA-N 1 0 382.201 2.725 20 0 GFADRO CC[N@H+](Cc1ccc(C(=O)Nc2csc(S(N)(=O)=O)c2)cc1)C(C)C ZINC000636401362 565111072 /nfs/dbraw/zinc/11/10/72/565111072.db2.gz TTWHLZITJVITJI-UHFFFAOYSA-N 1 0 381.523 2.878 20 0 GFADRO C[C@@H](NC[C@@H](O)C[N@H+](C)C1CC1)c1nc(-c2ccc(Br)cc2)no1 ZINC000685573040 565112221 /nfs/dbraw/zinc/11/22/21/565112221.db2.gz IAGGSDMFGGWPRZ-IAQYHMDHSA-N 1 0 395.301 2.605 20 0 GFADRO COC(=O)C1CC[NH+](CCCNC(=O)c2ccc(C(F)(F)F)s2)CC1 ZINC000586219597 565113423 /nfs/dbraw/zinc/11/34/23/565113423.db2.gz VDNHJILPIUYFCT-UHFFFAOYSA-N 1 0 378.416 2.772 20 0 GFADRO C[C@]1(c2ccc(C[NH2+]Cc3ccc(Br)s3)cc2)NC(=O)NC1=O ZINC000586833694 565119402 /nfs/dbraw/zinc/11/94/02/565119402.db2.gz QMQXGMMFMXPBST-MRXNPFEDSA-N 1 0 394.294 2.855 20 0 GFADRO CC(C)[C@H](NC(=O)c1ccccc1Br)C(=O)NCC[N@H+](C)C(C)C ZINC000586840924 565119556 /nfs/dbraw/zinc/11/95/56/565119556.db2.gz UHAKBDUIYIVTFI-INIZCTEOSA-N 1 0 398.345 2.660 20 0 GFADRO CC[N@H+](CCNC(=O)[C@H]1CCN(c2cccc(Br)c2)C1=O)C(C)C ZINC000588225227 565131155 /nfs/dbraw/zinc/13/11/55/565131155.db2.gz GHKGCGBBKCALKE-MRXNPFEDSA-N 1 0 396.329 2.649 20 0 GFADRO COc1cccc(C[NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)c1C ZINC000657804074 565131182 /nfs/dbraw/zinc/13/11/82/565131182.db2.gz VYLILUVGJYCTMI-UHFFFAOYSA-N 1 0 399.310 2.703 20 0 GFADRO CC[C@@H](Cc1ccc(Br)cc1)[NH2+]CCCNS(=O)(=O)CC ZINC000657860731 565133495 /nfs/dbraw/zinc/13/34/95/565133495.db2.gz LGURKARVHOFSII-HNNXBMFYSA-N 1 0 377.348 2.689 20 0 GFADRO C[C@H](Cn1cncn1)[NH2+]C1CCN(Cc2ccc(Br)cc2)CC1 ZINC000657907441 565135992 /nfs/dbraw/zinc/13/59/92/565135992.db2.gz LZTMDGLCANGZMK-CQSZACIVSA-N 1 0 378.318 2.683 20 0 GFADRO CSc1cc(Cl)ccc1NC(=O)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000657906880 565136157 /nfs/dbraw/zinc/13/61/57/565136157.db2.gz BQFZQQAZAPKBFK-UHFFFAOYSA-N 1 0 381.929 2.991 20 0 GFADRO COC(=O)[C@@H](c1cccc(Cl)c1Cl)N1CC[N@H+](CCO)C(C)(C)C1 ZINC000614920883 565139006 /nfs/dbraw/zinc/13/90/06/565139006.db2.gz XHBLWUBRZIDLFD-OAHLLOKOSA-N 1 0 375.296 2.596 20 0 GFADRO C[NH+]1CCC2(CCN(C(=O)c3cc(Br)cc4c3OCCO4)C2)CC1 ZINC000614967760 565140155 /nfs/dbraw/zinc/14/01/55/565140155.db2.gz LIJKVZLQGZULRG-UHFFFAOYSA-N 1 0 395.297 2.778 20 0 GFADRO CC[C@@H](Cc1ccc(Br)cc1)[NH2+]CC1(OCCO)CCOCC1 ZINC000658003672 565144774 /nfs/dbraw/zinc/14/47/74/565144774.db2.gz KENZCXZYSSMNKF-KRWDZBQOSA-N 1 0 386.330 2.918 20 0 GFADRO COC(=O)[C@](C)(O)C[NH2+][C@@H](CC(F)(F)F)c1ccc(Br)cc1 ZINC000588967492 565145604 /nfs/dbraw/zinc/14/56/04/565145604.db2.gz WBGRKBGTAWUKIF-WCQYABFASA-N 1 0 384.192 2.956 20 0 GFADRO Cc1cccc(Br)c1C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000637218345 565145619 /nfs/dbraw/zinc/14/56/19/565145619.db2.gz OBHGXYQHXDCRRU-OAHLLOKOSA-N 1 0 380.330 2.610 20 0 GFADRO CCn1nncc1CNC(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000637296562 565149095 /nfs/dbraw/zinc/14/90/95/565149095.db2.gz NYPMXTZXRMTUIJ-OAHLLOKOSA-N 1 0 385.299 2.707 20 0 GFADRO O=C(NCC[NH2+][C@@H]1CCCC[C@@H]1[C@@H]1CCOC1)c1ccc(Br)cn1 ZINC000658092601 565149208 /nfs/dbraw/zinc/14/92/08/565149208.db2.gz OKGUWPXAUKJKNS-FVQBIDKESA-N 1 0 396.329 2.759 20 0 GFADRO CC(C)n1cc([C@@H](C)[NH2+]CCNC(=O)c2ccc(Br)cn2)cn1 ZINC000658091138 565149481 /nfs/dbraw/zinc/14/94/81/565149481.db2.gz AUPXFOKWKYWARC-GFCCVEGCSA-N 1 0 380.290 2.702 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)C(=O)Nc1ccc(Br)c(F)c1 ZINC000658126131 565152148 /nfs/dbraw/zinc/15/21/48/565152148.db2.gz KGWNPDPTQJBFKM-LLVKDONJSA-N 1 0 386.265 2.516 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)C(=O)Nc1cccc(Br)c1F ZINC000658126647 565152385 /nfs/dbraw/zinc/15/23/85/565152385.db2.gz GYNCPMLGGBFFFL-SNVBAGLBSA-N 1 0 386.265 2.516 20 0 GFADRO C[C@H](Oc1ccc(Br)cc1)C(=O)N1CCOC[C@@H]1[C@@H]1CCC[N@@H+]1C ZINC000615265698 565154727 /nfs/dbraw/zinc/15/47/27/565154727.db2.gz JPYIAZXUWLUHJC-RRQGHBQHSA-N 1 0 397.313 2.538 20 0 GFADRO Cc1ccc(CC(=O)N2CCOC[C@H]2[C@@H]2CCC[N@H+]2C)c(Br)c1 ZINC000615277349 565154946 /nfs/dbraw/zinc/15/49/46/565154946.db2.gz VKRFTRGTDROBBT-IRXDYDNUSA-N 1 0 381.314 2.622 20 0 GFADRO O=S1(=O)CC[C@H]([NH2+]C[C@@H](CO)CC2CC2)c2cc(Br)ccc21 ZINC000658252517 565155597 /nfs/dbraw/zinc/15/55/97/565155597.db2.gz LHZJLWVVQVESIE-WFASDCNBSA-N 1 0 388.327 2.666 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)CCn1cc(Br)cn1)c1cccc(F)c1 ZINC000615331195 565157427 /nfs/dbraw/zinc/15/74/27/565157427.db2.gz JQJOVHYDZHOCDC-OAHLLOKOSA-N 1 0 383.265 2.594 20 0 GFADRO COc1ccc(CN2CC[NH+](C[C@@H]3CCCO3)CC2)c(Br)c1OC ZINC000615339965 565157860 /nfs/dbraw/zinc/15/78/60/565157860.db2.gz BSPPUVZZOVFMGN-HNNXBMFYSA-N 1 0 399.329 2.763 20 0 GFADRO CCCOc1ccc(Br)cc1S(=O)(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000658364234 565161138 /nfs/dbraw/zinc/16/11/38/565161138.db2.gz DVSXYMUITZTSBN-GFCCVEGCSA-N 1 0 391.331 2.516 20 0 GFADRO CN([C@@H]1CC[NH2+]C1)S(=O)(=O)c1cc(Cl)c(Cl)cc1Br ZINC000658365713 565161452 /nfs/dbraw/zinc/16/14/52/565161452.db2.gz DDPFWTVIMKLGEH-SSDOTTSWSA-N 1 0 388.114 2.738 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCCN(S(=O)(=O)c2cc(Cl)ccc2OC(F)(F)F)C1 ZINC000658368537 565162489 /nfs/dbraw/zinc/16/24/89/565162489.db2.gz JFSMEUMJSGLDQV-UWVGGRQHSA-N 1 0 386.823 2.987 20 0 GFADRO [NH3+][C@@H]1CCC[C@H]2CN(S(=O)(=O)c3cc(Cl)cc(Br)c3)C[C@@H]21 ZINC000658376158 565163868 /nfs/dbraw/zinc/16/38/68/565163868.db2.gz QQLACBAQWSIMER-QCZZGDTMSA-N 1 0 393.734 2.850 20 0 GFADRO C[C@@H]1CCCN(S(=O)(=O)Cc2cc(F)ccc2Br)[C@H]1CC[NH3+] ZINC000658384200 565165792 /nfs/dbraw/zinc/16/57/92/565165792.db2.gz VICHGVMKNDVICH-ABAIWWIYSA-N 1 0 393.322 2.867 20 0 GFADRO O=S(=O)(c1ccc(C(F)(F)F)nc1)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000658387226 565167144 /nfs/dbraw/zinc/16/71/44/565167144.db2.gz MABHKLGQPRHHKS-ZDUSSCGKSA-N 1 0 377.432 2.501 20 0 GFADRO C[NH2+]C[C@H](C)NS(=O)(=O)c1cc(Br)c(Cl)cc1Cl ZINC000658410251 565168100 /nfs/dbraw/zinc/16/81/00/565168100.db2.gz IJYHVZIVQCUCRR-LURJTMIESA-N 1 0 376.103 2.642 20 0 GFADRO O=C(NCC[C@H]1CC[NH2+]C1)N1CCc2[nH]c3ccc(Br)cc3c2C1 ZINC000637678096 565169761 /nfs/dbraw/zinc/16/97/61/565169761.db2.gz KCDASKAQPVZZBO-GFCCVEGCSA-N 1 0 391.313 2.998 20 0 GFADRO CC[C@H](C[NH+]1CCCC1)NC(=O)c1cc(Br)cc(C(=O)OC)c1 ZINC000589702068 565170215 /nfs/dbraw/zinc/17/02/15/565170215.db2.gz BFBITSUIKAKVPY-OAHLLOKOSA-N 1 0 383.286 2.840 20 0 GFADRO CCN(C(=O)C(=O)Nc1c(C)cc(C)cc1Br)[C@@H]1CC[N@H+](CC)C1 ZINC000658469160 565171147 /nfs/dbraw/zinc/17/11/47/565171147.db2.gz WHADMTRWZVNINB-CQSZACIVSA-N 1 0 396.329 2.947 20 0 GFADRO CCN(C(=O)C(=O)Nc1cc(Cl)c(OC)c(Cl)c1)[C@@H]1CC[N@H+](CC)C1 ZINC000658467591 565171182 /nfs/dbraw/zinc/17/11/82/565171182.db2.gz QAQGBLWUDOTWGI-GFCCVEGCSA-N 1 0 388.295 2.883 20 0 GFADRO CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)[C@]1(C)C[C@H](OC)C[NH2+]1 ZINC000637897374 565175086 /nfs/dbraw/zinc/17/50/86/565175086.db2.gz GNIBNFDILJJBOD-GTNSWQLSSA-N 1 0 388.295 2.547 20 0 GFADRO O=C(Nc1ccc(Br)cc1)c1nnn([C@H]2CC[NH2+]C2)c1C(F)F ZINC000637870029 565176077 /nfs/dbraw/zinc/17/60/77/565176077.db2.gz USJNZBDALPESBR-JTQLQIEISA-N 1 0 386.200 2.765 20 0 GFADRO O=C(NCc1c(Cl)cccc1Cl)c1nnn([C@H]2CC[NH2+]C2)c1C(F)F ZINC000637923097 565177461 /nfs/dbraw/zinc/17/74/61/565177461.db2.gz YENCCEUEMYOJJS-QMMMGPOBSA-N 1 0 390.221 2.987 20 0 GFADRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(Cc2ccc(S(N)(=O)=O)c(Cl)c2)C1 ZINC000637950187 565179308 /nfs/dbraw/zinc/17/93/08/565179308.db2.gz BTDKXGZHFVWJRS-LZWOXQAQSA-N 1 0 385.961 2.825 20 0 GFADRO Cc1[nH][nH]c(=NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1Br ZINC000616009782 565184089 /nfs/dbraw/zinc/18/40/89/565184089.db2.gz BVSBYBLUVGVBQZ-CQSZACIVSA-N 1 0 377.286 2.753 20 0 GFADRO COC(=O)C[C@@H](NC(=O)C[N@@H+]1CC[C@@H](C)C1)c1cccc(Br)c1 ZINC000590429058 565188169 /nfs/dbraw/zinc/18/81/69/565188169.db2.gz MAWKXTFCOYPTBP-IUODEOHRSA-N 1 0 383.286 2.511 20 0 GFADRO CCC[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2cccc(Cl)c2Br)C1 ZINC000658780250 565188212 /nfs/dbraw/zinc/18/82/12/565188212.db2.gz YXKXTUFIPIUMGQ-JTQLQIEISA-N 1 0 388.693 2.642 20 0 GFADRO Brc1cnc2c(C[NH2+][C@H]3CCN(Cc4ccccc4)C3)cnn2c1 ZINC000638293779 565191098 /nfs/dbraw/zinc/19/10/98/565191098.db2.gz LBOMMKPQAWBENR-KRWDZBQOSA-N 1 0 386.297 2.856 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+][C@H]2C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)o1 ZINC000638335595 565192289 /nfs/dbraw/zinc/19/22/89/565192289.db2.gz PRIAZEAPLZSKAB-BRPSZJMVSA-N 1 0 394.337 2.926 20 0 GFADRO [NH3+]C[C@]12CCC[C@H]1CN(C(=O)c1ccc3cncc(Br)c3n1)C2 ZINC000638384562 565193496 /nfs/dbraw/zinc/19/34/96/565193496.db2.gz WWTYORJRHJDKGV-SJCJKPOMSA-N 1 0 375.270 2.593 20 0 GFADRO CC(C)[C@@H](C[NH2+]Cc1nc2cc(Br)ccc2o1)N1CCN(C)CC1 ZINC000638353339 565193516 /nfs/dbraw/zinc/19/35/16/565193516.db2.gz RGLQOSNCURNWJU-MRXNPFEDSA-N 1 0 395.345 2.952 20 0 GFADRO [NH3+]C[C@H]1CCCN(C(=O)Cc2ccc(Br)c(Br)c2)C1 ZINC000658927548 565195465 /nfs/dbraw/zinc/19/54/65/565195465.db2.gz FANTYPFVGHLBQU-LLVKDONJSA-N 1 0 390.119 2.951 20 0 GFADRO C[C@H](Cc1cccc(Br)c1)[NH2+]Cc1ccc(S(N)(=O)=O)cc1 ZINC000638417812 565195464 /nfs/dbraw/zinc/19/54/64/565195464.db2.gz KYPWOOSVCYMNDP-GFCCVEGCSA-N 1 0 383.311 2.817 20 0 GFADRO CO[C@@H](C[NH2+]CCCNC(=O)c1ccc(Br)cc1)C1CCOCC1 ZINC000638489536 565198078 /nfs/dbraw/zinc/19/80/78/565198078.db2.gz NPPYJJVLDXUUBU-KRWDZBQOSA-N 1 0 399.329 2.600 20 0 GFADRO O=C(N[C@@H]1CC[NH2+]C12CCC2)c1ncc(Br)cc1Br ZINC000638508777 565198969 /nfs/dbraw/zinc/19/89/69/565198969.db2.gz AQHIBNNENDAWBX-SNVBAGLBSA-N 1 0 389.091 2.621 20 0 GFADRO COCC[NH2+]C1CCN(C(=O)Nc2ccc(F)c(Br)c2F)CC1 ZINC000659048468 565199003 /nfs/dbraw/zinc/19/90/03/565199003.db2.gz SXSFIOHZEAYFJM-UHFFFAOYSA-N 1 0 392.244 2.960 20 0 GFADRO CCO[C@@H]1CN(C(=O)Nc2ccc(F)c(Br)c2F)C[C@H]1C[NH3+] ZINC000659047162 565199301 /nfs/dbraw/zinc/19/93/01/565199301.db2.gz DZWAUMCBAIMYRW-LDYMZIIASA-N 1 0 378.217 2.555 20 0 GFADRO O=C(NCC12CC(C1)C[NH2+]2)Nc1ccn(-c2ccc(Br)cc2)n1 ZINC000659015022 565199309 /nfs/dbraw/zinc/19/93/09/565199309.db2.gz DJUBWOMXWJWTOH-UHFFFAOYSA-N 1 0 376.258 2.508 20 0 GFADRO [NH3+]C1(CNC(=O)COc2ccc3cc(Br)ccc3c2)CCOCC1 ZINC000638537216 565200049 /nfs/dbraw/zinc/20/00/49/565200049.db2.gz MXGHGDWGSQXEPV-UHFFFAOYSA-N 1 0 393.281 2.605 20 0 GFADRO Cc1cc(Br)c(Cl)cc1NC(=O)C(=O)NCCC1(C[NH3+])CC1 ZINC000659088752 565201313 /nfs/dbraw/zinc/20/13/13/565201313.db2.gz OPXWFDKHXPJEPY-UHFFFAOYSA-N 1 0 388.693 2.595 20 0 GFADRO CN(CC(C)(C)[NH3+])C(=O)C(=O)Nc1ccc(Br)c2ccccc12 ZINC000659089301 565201385 /nfs/dbraw/zinc/20/13/85/565201385.db2.gz FJSLOJDLCFTJEV-UHFFFAOYSA-N 1 0 378.270 2.737 20 0 GFADRO Cc1cc(Cl)cc(NC(=O)C(=O)NCC2([NH3+])CCCC2)c1Br ZINC000659097654 565201728 /nfs/dbraw/zinc/20/17/28/565201728.db2.gz DNQWQCBKZVIXEN-UHFFFAOYSA-N 1 0 388.693 2.737 20 0 GFADRO Cc1cc(Br)c(Cl)cc1NC(=O)C(=O)N1CCC(C)([NH3+])CC1 ZINC000659085853 565201847 /nfs/dbraw/zinc/20/18/47/565201847.db2.gz OWIPWZUJRSKZNY-UHFFFAOYSA-N 1 0 388.693 2.689 20 0 GFADRO Cc1cc(C(=O)NCC2([NH3+])CCOCC2)nn1-c1ccc(Cl)c(Cl)c1 ZINC000638540371 565202075 /nfs/dbraw/zinc/20/20/75/565202075.db2.gz QAMRSTPOIGIVJC-UHFFFAOYSA-N 1 0 383.279 2.725 20 0 GFADRO C[C@@H](c1ccccc1)[C@H](CO)[NH2+]Cc1cnn2cc(Br)cnc12 ZINC000638609903 565204250 /nfs/dbraw/zinc/20/42/50/565204250.db2.gz HMUOFJJUQLIKKO-LRDDRELGSA-N 1 0 375.270 2.746 20 0 GFADRO Oc1ccc2c(c1)CC[N@H+](C[C@H](O)COc1ccc(Br)cc1)CC2 ZINC000590785488 565204405 /nfs/dbraw/zinc/20/44/05/565204405.db2.gz UTVYVLZDGSETHP-SFHVURJKSA-N 1 0 392.293 2.995 20 0 GFADRO COCC[C@](C)(O)C[NH2+][C@@H]1CCN(C)[C@H](c2ccc(Br)cc2)C1 ZINC000638612031 565205281 /nfs/dbraw/zinc/20/52/81/565205281.db2.gz RVINRXRPOSCWTH-SQNIBIBYSA-N 1 0 385.346 2.962 20 0 GFADRO O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1cc(Br)cc2c1OCCO2 ZINC000616717172 565207168 /nfs/dbraw/zinc/20/71/68/565207168.db2.gz HHHZMDAJVROXRT-CABCVRRESA-N 1 0 395.297 2.967 20 0 GFADRO [NH3+]CCn1cc(C(=O)N2CCC[C@@H]2c2ccc(Br)cc2Cl)nn1 ZINC000638689071 565207324 /nfs/dbraw/zinc/20/73/24/565207324.db2.gz LFONODMMXQSHIT-CQSZACIVSA-N 1 0 398.692 2.630 20 0 GFADRO COC1(C(=O)N2C[C@H](c3ccc(Br)cc3)C[C@@H]2C)CC[NH2+]CC1 ZINC000638701197 565208065 /nfs/dbraw/zinc/20/80/65/565208065.db2.gz ZATMICDDMQFCIA-DZGCQCFKSA-N 1 0 381.314 2.922 20 0 GFADRO CC(C)OC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000659251026 565209452 /nfs/dbraw/zinc/20/94/52/565209452.db2.gz CSXIYGIDOWIREL-GJZGRUSLSA-N 1 0 388.295 2.675 20 0 GFADRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)c1cccc(NC(=O)c2ccc(Br)o2)c1 ZINC000638771377 565210214 /nfs/dbraw/zinc/21/02/14/565210214.db2.gz OPPXBLNADFFBHB-GXFFZTMASA-N 1 0 392.253 2.775 20 0 GFADRO O=C(c1cc(Br)ccc1F)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000638778980 565210839 /nfs/dbraw/zinc/21/08/39/565210839.db2.gz OKUISUTVGJYOGJ-AWEZNQCLSA-N 1 0 385.277 2.819 20 0 GFADRO CC(C)c1[nH]nc(C(=O)N2CCOc3ccc(C[NH3+])cc32)c1Br ZINC000638803438 565211902 /nfs/dbraw/zinc/21/19/02/565211902.db2.gz BRUNYOKRNUJOOG-UHFFFAOYSA-N 1 0 379.258 2.794 20 0 GFADRO COc1ccc(CCC(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c(Br)c1 ZINC000659304969 565211962 /nfs/dbraw/zinc/21/19/62/565211962.db2.gz XLTVKNJVMODLJK-LXZKKBNFSA-N 1 0 381.314 2.976 20 0 GFADRO COc1nsc(C[NH2+][C@H](CO)Cc2ccc(F)cc2)c1Br ZINC000638802333 565212190 /nfs/dbraw/zinc/21/21/90/565212190.db2.gz UCVSXUKZDHJYAL-NSHDSACASA-N 1 0 375.263 2.747 20 0 GFADRO C[C@H]1CCCN(C(=O)c2cc(Br)cc3c2OCCO3)[C@H]1CC[NH3+] ZINC000659330065 565213504 /nfs/dbraw/zinc/21/35/04/565213504.db2.gz ZQJMWDHJSAZLNE-FZMZJTMJSA-N 1 0 383.286 2.810 20 0 GFADRO O=C(C[C@H]1CCC[NH2+]1)N1CC2(CCOCC2)c2ccc(Br)cc21 ZINC000638842288 565214425 /nfs/dbraw/zinc/21/44/25/565214425.db2.gz NXRDQNOSCAUNMJ-CQSZACIVSA-N 1 0 379.298 2.986 20 0 GFADRO [NH3+]Cc1cc(C(=O)N2CCOC[C@H]2c2ccc(Br)cc2)ccn1 ZINC000659358648 565214780 /nfs/dbraw/zinc/21/47/80/565214780.db2.gz LVLHGCRUDDVRIW-INIZCTEOSA-N 1 0 376.254 2.517 20 0 GFADRO C[C@@H]1CN(C(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)C[C@H]1C[NH3+] ZINC000638889142 565215224 /nfs/dbraw/zinc/21/52/24/565215224.db2.gz JPLIRIRERKEFQX-HSMVNMDESA-N 1 0 384.307 2.651 20 0 GFADRO C[C@@H]1CCN(C(=O)c2ccc(-n3cc(Br)cn3)cc2)[C@H](C[NH3+])C1 ZINC000659378678 565215621 /nfs/dbraw/zinc/21/56/21/565215621.db2.gz WFIZFBHKWCNVOQ-WBMJQRKESA-N 1 0 377.286 2.834 20 0 GFADRO Cc1c(C(=O)N2C[C@@H](C[NH3+])[C@H](C)C2)cnn1-c1cccc(Br)c1 ZINC000638895746 565216999 /nfs/dbraw/zinc/21/69/99/565216999.db2.gz SPTMYPUOLRHRGR-DGCLKSJQSA-N 1 0 377.286 2.610 20 0 GFADRO CO[C@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000659478306 565217525 /nfs/dbraw/zinc/21/75/25/565217525.db2.gz RUFUHAQSTKOEJZ-QZKOUSHUSA-N 1 0 388.281 2.606 20 0 GFADRO CO[C@@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)N1CC2CC1(C[NH3+])C2 ZINC000659478827 565217817 /nfs/dbraw/zinc/21/78/17/565217817.db2.gz USNWZWIJUCJYDV-FGUMPLJBSA-N 1 0 382.302 2.658 20 0 GFADRO [NH3+]CC12CC(C1)CN2C(=O)NCc1cc(Br)ccc1OC(F)F ZINC000659448117 565218352 /nfs/dbraw/zinc/21/83/52/565218352.db2.gz RMIGUUPZFHLWLF-UHFFFAOYSA-N 1 0 390.228 2.683 20 0 GFADRO C[C@H](NC(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1)c1ncc(Br)cn1 ZINC000659495858 565218665 /nfs/dbraw/zinc/21/86/65/565218665.db2.gz IQVUZLUSMCSZJK-GXTWGEPZSA-N 1 0 396.333 2.721 20 0 GFADRO [NH3+]C[C@@H](NC(=O)N1CCOc2cc(Br)ccc2C1)C1CCCC1 ZINC000659544311 565220083 /nfs/dbraw/zinc/22/00/83/565220083.db2.gz VJOFRMORLQGWBH-OAHLLOKOSA-N 1 0 382.302 2.871 20 0 GFADRO O=C(NCC1(Cc2ccc(Br)cc2)CC1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000659600275 565220937 /nfs/dbraw/zinc/22/09/37/565220937.db2.gz WRYWDWIXFACMGC-GASCZTMLSA-N 1 0 378.314 2.633 20 0 GFADRO [NH3+][C@H]1CC[C@H](NC(=O)CCc2nc(-c3cc(Br)cs3)no2)CC1 ZINC000639028611 565220992 /nfs/dbraw/zinc/22/09/92/565220992.db2.gz FEYJCCDLERQTQD-XYPYZODXSA-N 1 0 399.314 2.879 20 0 GFADRO O=C(NCC12CC(C1)C[NH2+]2)N1CCO[C@@H](c2cc(F)c(Cl)cc2Cl)C1 ZINC000659617830 565221336 /nfs/dbraw/zinc/22/13/36/565221336.db2.gz JIBOMOZMLCPJCE-PZOJDFPFSA-N 1 0 388.270 2.967 20 0 GFADRO Cc1ccc(CNC(=O)[C@]2([NH3+])[C@@H]3CCCO[C@H]3C2(C)C)cc1Br ZINC000639035277 565221805 /nfs/dbraw/zinc/22/18/05/565221805.db2.gz BEGAKXIIBLBYPF-DDUZABMNSA-N 1 0 381.314 2.906 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)N[C@H]1CC[C@H]([NH3+])CC1 ZINC000639031760 565221815 /nfs/dbraw/zinc/22/18/15/565221815.db2.gz VWRQDXOYAVXQDQ-RBSFLKMASA-N 1 0 384.567 2.737 20 0 GFADRO COC(=O)c1cc(NC(=O)N2CC[C@H]([C@H](C)[NH3+])C2)c(Br)cc1F ZINC000591287348 565222024 /nfs/dbraw/zinc/22/20/24/565222024.db2.gz PTOFLZZFEBHCLD-IUCAKERBSA-N 1 0 388.237 2.576 20 0 GFADRO CC[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)N[C@@H](C)C[NH2+]C)CC1 ZINC000659647920 565222461 /nfs/dbraw/zinc/22/24/61/565222461.db2.gz YRXLLFNGECBHFW-YOEHRIQHSA-N 1 0 397.361 2.835 20 0 GFADRO COC(=O)c1cc(NC(=O)N[C@@H]2CCC[NH2+]CC2)cc(Br)c1F ZINC000591302041 565223088 /nfs/dbraw/zinc/22/30/88/565223088.db2.gz GBBXVGJEZULOHP-SECBINFHSA-N 1 0 388.237 2.638 20 0 GFADRO Cc1cc(Br)cn2cc(CNC3CC[NH+](CC(C)(C)O)CC3)nc12 ZINC000639062970 565223127 /nfs/dbraw/zinc/22/31/27/565223127.db2.gz XECCDYUPSOUDJB-UHFFFAOYSA-N 1 0 395.345 2.730 20 0 GFADRO COc1ccccc1[C@@H](C[NH2+]Cc1ccc(S(N)(=O)=O)s1)OC(C)C ZINC000639052690 565223409 /nfs/dbraw/zinc/22/34/09/565223409.db2.gz DSMGNCRVJQJEEE-MRXNPFEDSA-N 1 0 384.523 2.660 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCN(C)[C@H](c2ccc(Br)cc2)C1)C(=O)NCCF ZINC000639137950 565228186 /nfs/dbraw/zinc/22/81/86/565228186.db2.gz MBIULFLFMHTVGM-MAZHCROVSA-N 1 0 386.309 2.648 20 0 GFADRO C[C@H](O)C[N@H+](Cc1nnnn1-c1ccccc1Br)C1CCCCC1 ZINC000591377280 565228698 /nfs/dbraw/zinc/22/86/98/565228698.db2.gz UAFOVKFPKBTDHQ-ZDUSSCGKSA-N 1 0 394.317 2.940 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCN(C)[C@@H](c2ccc(Br)cc2)C1)C(=O)NCCF ZINC000639137949 565228985 /nfs/dbraw/zinc/22/89/85/565228985.db2.gz MBIULFLFMHTVGM-APHBMKBZSA-N 1 0 386.309 2.648 20 0 GFADRO C[C@H]([NH2+][C@H]1CCN(C)[C@@H](c2ccc(Br)cc2)C1)C(=O)NCCF ZINC000639137952 565229121 /nfs/dbraw/zinc/22/91/21/565229121.db2.gz MBIULFLFMHTVGM-VBNZEHGJSA-N 1 0 386.309 2.648 20 0 GFADRO NS(=O)(=O)c1ccc(CN2CCC[C@H]2c2ccncc2)cc1Br ZINC000639167283 565230839 /nfs/dbraw/zinc/23/08/39/565230839.db2.gz CQTJLKVHFCGUSG-HNNXBMFYSA-N 1 0 396.310 2.829 20 0 GFADRO COc1ncc(Br)cc1C[NH2+][C@H]([C@H]1CCCO1)C1(CO)CCC1 ZINC000639193435 565231829 /nfs/dbraw/zinc/23/18/29/565231829.db2.gz MYOOGIMVXJUZAA-HUUCEWRRSA-N 1 0 385.302 2.653 20 0 GFADRO C[C@@H]([NH2+][C@H]1CCCNC(=O)C1)c1ccc(Br)cc1OCCCO ZINC000639198941 565231858 /nfs/dbraw/zinc/23/18/58/565231858.db2.gz UNUDNYRMOATOOU-OCCSQVGLSA-N 1 0 385.302 2.530 20 0 GFADRO COC(=O)c1cc(NC(=O)NC(C)(C)CC[NH3+])c(Br)cc1F ZINC000591561583 565232580 /nfs/dbraw/zinc/23/25/80/565232580.db2.gz PFGLQTPHFZXOTD-UHFFFAOYSA-N 1 0 376.226 2.624 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)CCNC(=O)c2ccc(Br)cc2)C1 ZINC000617356681 565233654 /nfs/dbraw/zinc/23/36/54/565233654.db2.gz NUAXZYNKWYRHIZ-HNNXBMFYSA-N 1 0 396.329 2.558 20 0 GFADRO C[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCCN2C(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000617414635 565236605 /nfs/dbraw/zinc/23/66/05/565236605.db2.gz NIICCXIBKHJPLG-XJKSGUPXSA-N 1 0 384.307 2.808 20 0 GFADRO CN1CC[C@@H]([NH2+]CC2(CC(N)=O)CC2)C[C@@H]1c1ccc(Br)cc1 ZINC000639274725 565237246 /nfs/dbraw/zinc/23/72/46/565237246.db2.gz YXDRQVFUVVKPEQ-HZPDHXFCSA-N 1 0 380.330 2.830 20 0 GFADRO COc1cc(S(=O)(=O)N2CCCC[C@H]2C[NH+](C)C)ccc1Br ZINC000660009705 565237135 /nfs/dbraw/zinc/23/71/35/565237135.db2.gz YXSHRTILKKSJPN-LBPRGKRZSA-N 1 0 391.331 2.563 20 0 GFADRO Cc1cc(Br)sc1S(=O)(=O)N1CCCC[C@H]1C[NH+](C)C ZINC000660006811 565237333 /nfs/dbraw/zinc/23/73/33/565237333.db2.gz DNQAOZOYCVCLFW-NSHDSACASA-N 1 0 381.361 2.924 20 0 GFADRO O[C@@H](C[NH2+]Cc1cc(Cl)cc(I)c1)C(F)(F)F ZINC000591771467 565238933 /nfs/dbraw/zinc/23/89/33/565238933.db2.gz CFNOWNVNCCHQFR-VIFPVBQESA-N 1 0 379.547 2.957 20 0 GFADRO C[C@H](C[NH2+]CCn1ccc(C(F)(F)F)n1)c1ccc(S(C)(=O)=O)cc1 ZINC000639396453 565244471 /nfs/dbraw/zinc/24/44/71/565244471.db2.gz ADOFZARPEIDQHT-GFCCVEGCSA-N 1 0 375.416 2.699 20 0 GFADRO CCN(C(=O)c1ccc(-n2cc(Br)cn2)cc1)[C@@H]1CC[N@H+](C)C1 ZINC000617557283 565246572 /nfs/dbraw/zinc/24/65/72/565246572.db2.gz IDNGFYROIAUTIW-MRXNPFEDSA-N 1 0 377.286 2.801 20 0 GFADRO CCN(C(=O)CCC(=O)c1cc(Br)ccc1OC)[C@H]1CC[N@H+](C)C1 ZINC000617560059 565247127 /nfs/dbraw/zinc/24/71/27/565247127.db2.gz GDGILLIWNQGPTA-AWEZNQCLSA-N 1 0 397.313 2.973 20 0 GFADRO C[C@@H]1OCC[C@H]1C[N@@H+]1CCCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000639472487 565247800 /nfs/dbraw/zinc/24/78/00/565247800.db2.gz KDSDEWYZSNCLFD-STQMWFEESA-N 1 0 378.947 2.523 20 0 GFADRO C[C@@H](c1ccc(Br)cc1)N1CC[NH+](C[C@@H]2CCc3ncnn32)CC1 ZINC000639498275 565247954 /nfs/dbraw/zinc/24/79/54/565247954.db2.gz SBTXMHVBNJENEB-YOEHRIQHSA-N 1 0 390.329 2.907 20 0 GFADRO CC(C)(COc1ncccc1Br)[NH2+]C[C@@H](O)C[C@](C)(O)C1CC1 ZINC000639557860 565249155 /nfs/dbraw/zinc/24/91/55/565249155.db2.gz ROOJWIRRSOGKFP-GUYCJALGSA-N 1 0 387.318 2.503 20 0 GFADRO O[C@H](COc1cc(Cl)cc(Cl)c1)C[N@@H+]1C[C@H](O)C[C@H]1[C@@H]1CCCOC1 ZINC000639659855 565254195 /nfs/dbraw/zinc/25/41/95/565254195.db2.gz SYZXDCKYIVZELQ-ANRZDRKOSA-N 1 0 390.307 2.595 20 0 GFADRO CCN(CC(F)(F)F)C(=O)C[NH2+][C@](C)(CO)c1ccc(Br)cc1 ZINC000639639689 565254270 /nfs/dbraw/zinc/25/42/70/565254270.db2.gz UYQXOHALYDIOOG-CQSZACIVSA-N 1 0 397.235 2.657 20 0 GFADRO O=c1cc([C@H]2CC[N@@H+](CCOc3cccc(Br)c3)C2)[nH]c(=O)[nH]1 ZINC000639736434 565257816 /nfs/dbraw/zinc/25/78/16/565257816.db2.gz YJIJWAILHQGADN-NSHDSACASA-N 1 0 380.242 2.519 20 0 GFADRO OCC1([C@H]([NH2+]Cc2cn3cc(Br)ccc3n2)[C@@H]2CCCO2)CCC1 ZINC000639769960 565258026 /nfs/dbraw/zinc/25/80/26/565258026.db2.gz YRETUNHDOILMOE-DOTOQJQBSA-N 1 0 394.313 2.897 20 0 GFADRO C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)NCCN(C)CCC[NH+](C)C ZINC000617767227 565258089 /nfs/dbraw/zinc/25/80/89/565258089.db2.gz LKWZLALPNKJBCK-CYBMUJFWSA-N 1 0 376.328 2.760 20 0 GFADRO Brc1cc2c(cc1C[N@@H+]1CCC[C@@H](n3ccnn3)CC1)OCO2 ZINC000639814153 565263533 /nfs/dbraw/zinc/26/35/33/565263533.db2.gz CNSOWLFHGMREMF-CYBMUJFWSA-N 1 0 379.258 2.997 20 0 GFADRO CC[NH2+]CCCNC(=O)c1cc(Cl)c(I)cc1OC ZINC000592290224 565267063 /nfs/dbraw/zinc/26/70/63/565267063.db2.gz ZLIBPSCEBHVNJJ-UHFFFAOYSA-N 1 0 396.656 2.683 20 0 GFADRO CC[C@@H]1CN(C(=O)c2ccc(I)c(F)c2)CC[C@@H]1[NH3+] ZINC000592332862 565270187 /nfs/dbraw/zinc/27/01/87/565270187.db2.gz POMIBRUAAYYBEO-RNCFNFMXSA-N 1 0 376.213 2.630 20 0 GFADRO COc1cc(CN(C)C2(C[NH3+])CCC2)cc(I)c1OC ZINC000592433592 565276802 /nfs/dbraw/zinc/27/68/02/565276802.db2.gz IWDLAJLHSYPVBJ-UHFFFAOYSA-N 1 0 390.265 2.622 20 0 GFADRO [NH3+]C[C@H]1CCCn2ncc(C(=O)NCCc3ccc(Br)s3)c21 ZINC000592482913 565278590 /nfs/dbraw/zinc/27/85/90/565278590.db2.gz SZVYZKBAHZZASF-SNVBAGLBSA-N 1 0 383.315 2.516 20 0 GFADRO COC(=O)CC[C@H]([NH3+])C(=O)N[C@H](c1ccc(Br)cc1)C1CCC1 ZINC000592499241 565280157 /nfs/dbraw/zinc/28/01/57/565280157.db2.gz VKFNCBYYWOFBDP-HOCLYGCPSA-N 1 0 383.286 2.687 20 0 GFADRO CCOC(=O)COc1c(Br)cc(C)cc1C[NH2+][C@H]1CO[C@H](C)C1 ZINC000592526705 565281024 /nfs/dbraw/zinc/28/10/24/565281024.db2.gz JJSLYEAXKMFXTB-TZMCWYRMSA-N 1 0 386.286 2.966 20 0 GFADRO COC(=O)[C@H]1C[NH2+]CCCN1C(=O)CCCc1cc(Cl)sc1Cl ZINC000592554130 565282189 /nfs/dbraw/zinc/28/21/89/565282189.db2.gz MJDHXVRITWJJNC-LLVKDONJSA-N 1 0 379.309 2.741 20 0 GFADRO COC(=O)[C@H]1C[NH2+]CCCN1C(=O)c1sc(-c2ccc(Cl)s2)nc1C ZINC000592554328 565282213 /nfs/dbraw/zinc/28/22/13/565282213.db2.gz KYFUWOCGWNQJNC-SNVBAGLBSA-N 1 0 399.925 2.811 20 0 GFADRO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)c1[nH]c2ccc(Cl)cc2c1Cl ZINC000618303323 565285688 /nfs/dbraw/zinc/28/56/88/565285688.db2.gz CPJVDMRLHSGOSC-UHFFFAOYSA-N 1 0 385.295 2.567 20 0 GFADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)Nc1cscc1Br ZINC000640188099 565286337 /nfs/dbraw/zinc/28/63/37/565286337.db2.gz PZUAUIWTEXLTRN-NSHDSACASA-N 1 0 375.336 2.658 20 0 GFADRO O=C(C[NH2+][C@H]1CCCn2nccc21)Nc1c(F)cc(F)cc1Br ZINC000640220426 565289186 /nfs/dbraw/zinc/28/91/86/565289186.db2.gz ZCFRYQHKPVAHAZ-LBPRGKRZSA-N 1 0 385.212 2.987 20 0 GFADRO CN(C(=O)C[N@H+](C)[C@@H]1CCSC1)[C@H](CO)c1cccc(Cl)c1Cl ZINC000618341310 565290692 /nfs/dbraw/zinc/29/06/92/565290692.db2.gz DMYLDRUPHYVTAY-BXUZGUMPSA-N 1 0 377.337 2.923 20 0 GFADRO CC[C@@H]1C[N@H+](CC)CCN1CC(=O)c1c[nH]c2ncc(Br)cc12 ZINC000660735513 565292067 /nfs/dbraw/zinc/29/20/67/565292067.db2.gz JNSZERHYEDKUEO-CYBMUJFWSA-N 1 0 379.302 2.924 20 0 GFADRO C[C@H](CNC(=O)Nc1nn(CC(F)(F)F)cc1Cl)[NH+]1CCC(C)CC1 ZINC000640293017 565293864 /nfs/dbraw/zinc/29/38/64/565293864.db2.gz RVFTVVHLDCUDTB-LLVKDONJSA-N 1 0 381.830 3.341 20 0 GFADRO C[NH+](C)CC1(CNC(=O)Nc2nn(CC(F)(F)F)cc2Cl)CCCC1 ZINC000640296452 565296012 /nfs/dbraw/zinc/29/60/12/565296012.db2.gz MPGRSQGGFWCQHV-UHFFFAOYSA-N 1 0 381.830 3.342 20 0 GFADRO Cn1cc(Br)c(NC(=O)N2CCC(C[NH+]3CCCCCC3)CC2)n1 ZINC000640308659 565298291 /nfs/dbraw/zinc/29/82/91/565298291.db2.gz QUJKZETZRYPWIA-UHFFFAOYSA-N 1 0 398.349 3.303 20 0 GFADRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)Nc1nn(C)cc1Br ZINC000640310032 565299180 /nfs/dbraw/zinc/29/91/80/565299180.db2.gz RYQZWQZWCPJVNQ-UHFFFAOYSA-N 1 0 394.317 3.298 20 0 GFADRO Cn1cc(Br)c(NC(=O)NC(C)(C)C[N@H+](C)Cc2ccccc2)n1 ZINC000640311720 565299740 /nfs/dbraw/zinc/29/97/40/565299740.db2.gz RUYXXGSJOXWFQB-UHFFFAOYSA-N 1 0 394.317 3.215 20 0 GFADRO CCCN(C(=O)c1ccc(I)c(O)c1)[C@H]1CC[N@H+](C)C1 ZINC000592829699 565299774 /nfs/dbraw/zinc/29/97/74/565299774.db2.gz VRCMOLMNMRFSSY-LBPRGKRZSA-N 1 0 388.249 2.553 20 0 GFADRO CC1CC[NH+](C[C@@H]2CCCN(C(=O)Nc3nn(C)cc3Br)C2)CC1 ZINC000640324250 565302062 /nfs/dbraw/zinc/30/20/62/565302062.db2.gz CXRSTPTUHWXGPG-AWEZNQCLSA-N 1 0 398.349 3.158 20 0 GFADRO COc1cc(Br)ccc1CCCNC(=O)N(C)CC1C[NH+](C)C1 ZINC000661018643 565302358 /nfs/dbraw/zinc/30/23/58/565302358.db2.gz YYCPYJGTFRWYRT-UHFFFAOYSA-N 1 0 384.318 2.593 20 0 GFADRO Cc1[nH]c(=O)c(C(=O)N2CCCN(c3cc[nH+]cc3)CC2)cc1Br ZINC000640445231 565310649 /nfs/dbraw/zinc/31/06/49/565310649.db2.gz GQWMENZRPMRDFC-UHFFFAOYSA-N 1 0 391.269 2.606 20 0 GFADRO COC[C@H]([NH2+]CC(=O)N[C@@H](C)c1ccc(Br)cc1)C1CCOCC1 ZINC000661158566 565311094 /nfs/dbraw/zinc/31/10/94/565311094.db2.gz BQAZDUWWXADCPE-GUYCJALGSA-N 1 0 399.329 2.658 20 0 GFADRO COC[C@@H]([NH2+]CC(=O)Nc1ccc(Br)cc1F)C1CCOCC1 ZINC000661159219 565311218 /nfs/dbraw/zinc/31/12/18/565311218.db2.gz RGVJNSUHBNZVMZ-OAHLLOKOSA-N 1 0 389.265 2.558 20 0 GFADRO COC[C@H]([NH2+]C[C@H](O)COc1ccc(Cl)cc1Cl)C1CCOCC1 ZINC000661160856 565311281 /nfs/dbraw/zinc/31/12/81/565311281.db2.gz ONIYPJFTUNHLKQ-HOCLYGCPSA-N 1 0 378.296 2.764 20 0 GFADRO CC[NH2+]Cc1ccn(Cc2cn(Cc3ccc(Br)cc3F)nn2)n1 ZINC000640798377 565328055 /nfs/dbraw/zinc/32/80/55/565328055.db2.gz PGGWZSSIOJVPIP-UHFFFAOYSA-N 1 0 393.264 2.582 20 0 GFADRO C[C@@H](C(=O)NC1CCCC1)n1cc([C@@H]([NH3+])c2ccc(Br)cc2)nn1 ZINC000640806110 565328673 /nfs/dbraw/zinc/32/86/73/565328673.db2.gz WTUJRMUQOOTXQN-ZBEGNZNMSA-N 1 0 392.301 2.709 20 0 GFADRO CC[NH+]1CCC(NC(=O)CN(C)[C@@H](CO)c2cccc(Cl)c2Cl)CC1 ZINC000661638339 565331698 /nfs/dbraw/zinc/33/16/98/565331698.db2.gz KOBRZGMMDUYZAQ-INIZCTEOSA-N 1 0 388.339 2.559 20 0 GFADRO C[C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)n1cc([C@H]([NH3+])[C@H]2CCCO2)nn1 ZINC000640921787 565337276 /nfs/dbraw/zinc/33/72/76/565337276.db2.gz CWPWEVXSBRTBQQ-ZWZTZDBGSA-N 1 0 384.267 2.963 20 0 GFADRO CC(C)[C@@H]([NH3+])c1cn(Cc2nc(-c3cc(Br)cs3)no2)nn1 ZINC000640993807 565340732 /nfs/dbraw/zinc/34/07/32/565340732.db2.gz HVZJVBDXSHPDBM-GFCCVEGCSA-N 1 0 383.275 2.856 20 0 GFADRO C[NH2+]C(C)(C)c1cn(Cc2nc(Cc3cccc(Br)c3)no2)nn1 ZINC000641041131 565341948 /nfs/dbraw/zinc/34/19/48/565341948.db2.gz KNDDSEVHCKVYKO-UHFFFAOYSA-N 1 0 391.273 2.517 20 0 GFADRO Brc1ccc(-c2nccc(Cn3cc(C[C@@H]4CC[NH2+]C4)nn3)n2)cc1 ZINC000641112901 565346892 /nfs/dbraw/zinc/34/68/92/565346892.db2.gz SWAXLAHNLUEWAR-ZDUSSCGKSA-N 1 0 399.296 2.698 20 0 GFADRO Brc1cc2c(cc1Cn1cc([C@@H]3CCC[NH2+]C3)nn1)OCCCO2 ZINC000641120719 565346912 /nfs/dbraw/zinc/34/69/12/565346912.db2.gz LHLINDOYCXQBNG-GFCCVEGCSA-N 1 0 393.285 2.717 20 0 GFADRO C[NH2+][C@@H](C)c1cn([C@H]2CCCN(c3ccc(Br)c(C)c3)C2=O)nn1 ZINC000641118235 565347414 /nfs/dbraw/zinc/34/74/14/565347414.db2.gz VPYRXXUASLPDAQ-LRDDRELGSA-N 1 0 392.301 2.998 20 0 GFADRO CC(C)[C@@H]([NH3+])c1cn(Cc2cc3c(cc2Br)OCCCO3)nn1 ZINC000641120491 565347464 /nfs/dbraw/zinc/34/74/64/565347464.db2.gz FZJBQDDGVYTOGD-MRXNPFEDSA-N 1 0 381.274 2.906 20 0 GFADRO C[C@@H](C(=O)Nc1ccc(Br)cc1)[N@@H+]1CC[C@@H](CN2CCCC2=O)C1 ZINC000662053938 565347689 /nfs/dbraw/zinc/34/76/89/565347689.db2.gz BTYLSFDJXXBGRR-UONOGXRCSA-N 1 0 394.313 2.720 20 0 GFADRO O=C(CC[N@@H+]1CC[C@@H](CN2CCCC2=O)C1)Nc1cccc(Br)c1 ZINC000662052264 565347841 /nfs/dbraw/zinc/34/78/41/565347841.db2.gz JXGPOBNOLCUYIU-CQSZACIVSA-N 1 0 394.313 2.722 20 0 GFADRO O=C(CC[N@@H+]1CC[C@H](CN2CCCC2=O)C1)Nc1cccc(Br)c1 ZINC000662052262 565347900 /nfs/dbraw/zinc/34/79/00/565347900.db2.gz JXGPOBNOLCUYIU-AWEZNQCLSA-N 1 0 394.313 2.722 20 0 GFADRO COCC[NH2+]CCc1cn([C@@H]2CCCc3ccc(Br)cc32)nn1 ZINC000641122642 565348157 /nfs/dbraw/zinc/34/81/57/565348157.db2.gz KSUIRLWVSXUQQU-QGZVFWFLSA-N 1 0 379.302 2.745 20 0 GFADRO C[C@@H]1C[N@H+](C[C@@H](O)COc2ccc(Cl)cc2Br)C[C@]1(C)CO ZINC000662136941 565351183 /nfs/dbraw/zinc/35/11/83/565351183.db2.gz WCXGDSBHYZFRMF-AXAPSJFSSA-N 1 0 392.721 2.793 20 0 GFADRO CC(C)NC(=O)[C@H]1CCC[N@H+](C[C@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000662117238 565351475 /nfs/dbraw/zinc/35/14/75/565351475.db2.gz BOFKXDRZTQEQDW-ZFWWWQNUSA-N 1 0 389.323 2.970 20 0 GFADRO C[C@H]([NH2+]CC[C@@]1(O)CCCOC1)c1ccccc1I ZINC000593719637 565358270 /nfs/dbraw/zinc/35/82/70/565358270.db2.gz GLATWYUGVWKUDO-WFASDCNBSA-N 1 0 375.250 2.873 20 0 GFADRO Cc1ccc(CN(C[C@H]2CCCO2)C[C@@H]2C[NH2+]CCO2)c(Br)c1 ZINC000662281912 565359016 /nfs/dbraw/zinc/35/90/16/565359016.db2.gz MMJXHZUPUDZVSL-SJORKVTESA-N 1 0 383.330 2.727 20 0 GFADRO NC(=O)[C@H](c1ccc(Br)cc1F)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662298746 565359494 /nfs/dbraw/zinc/35/94/94/565359494.db2.gz XKWQUAKPDATIST-DYVFJYSZSA-N 1 0 398.320 2.826 20 0 GFADRO C[C@H](C(=O)Nc1ccccc1Br)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662320562 565360949 /nfs/dbraw/zinc/36/09/49/565360949.db2.gz VAUFXXFQPFKYGK-HUUCEWRRSA-N 1 0 398.345 2.819 20 0 GFADRO N[C@@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1Br ZINC000662341495 565361570 /nfs/dbraw/zinc/36/15/70/565361570.db2.gz QMHLJBYGWKXWFA-CRAIPNDOSA-N 1 0 388.309 2.840 20 0 GFADRO COc1ccc(CCNC(=O)[C@@H](N)c2ccccc2Br)cc1OC ZINC000662344717 565361601 /nfs/dbraw/zinc/36/16/01/565361601.db2.gz RXOSZNDSUQPMBC-KRWDZBQOSA-N 1 0 393.281 2.825 20 0 GFADRO CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)C1 ZINC000619893516 565362400 /nfs/dbraw/zinc/36/24/00/565362400.db2.gz JWXHIBQAWMKNCN-KBPBESRZSA-N 1 0 384.307 2.947 20 0 GFADRO CCC[N@@H+]1CC[C@H](NC(=O)c2nn(-c3ccc(F)cc3)cc2Br)C1 ZINC000619900393 565362482 /nfs/dbraw/zinc/36/24/82/565362482.db2.gz UXKPODGDSGXTCS-ZDUSSCGKSA-N 1 0 395.276 2.988 20 0 GFADRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@H](N)c1ccccc1Br ZINC000662405980 565366317 /nfs/dbraw/zinc/36/63/17/565366317.db2.gz BSHVEPIAWFZQTD-QDEZUTFSSA-N 1 0 382.346 2.932 20 0 GFADRO C[C@@H]1CCCN(C(=O)Cc2cccc(I)c2)[C@H]1CC[NH3+] ZINC000593914233 565367337 /nfs/dbraw/zinc/36/73/37/565367337.db2.gz BNNUWBLIFDWXGR-DOMZBBRYSA-N 1 0 386.277 2.810 20 0 GFADRO Cc1ccc(I)cc1NC(=O)[C@H]1C[NH2+]CCC1(F)F ZINC000593909777 565367438 /nfs/dbraw/zinc/36/74/38/565367438.db2.gz STYXLFQOLMLUFM-SNVBAGLBSA-N 1 0 380.176 2.783 20 0 GFADRO CC1(C)CC[NH2+][C@H]1C(=O)N1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000662465550 565369912 /nfs/dbraw/zinc/36/99/12/565369912.db2.gz PVIGRTIOVYSAKZ-HNNXBMFYSA-N 1 0 384.307 2.666 20 0 GFADRO COc1cc(CS(=O)(=O)N[C@H](C)[C@@H](c2ccccc2C)[NH+](C)C)sn1 ZINC000641451487 565373834 /nfs/dbraw/zinc/37/38/34/565373834.db2.gz KGVZJSWDAGVCTO-DYVFJYSZSA-N 1 0 383.539 2.571 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)[C@@H]1[NH2+]CCC1(C)C ZINC000662548388 565375726 /nfs/dbraw/zinc/37/57/26/565375726.db2.gz PYGGWSVDTJJVSM-HNNXBMFYSA-N 1 0 382.302 2.590 20 0 GFADRO CC(C)([NH3+])c1cc(C(=O)N2CCO[C@@H](c3cccc(Br)c3)C2)on1 ZINC000662540992 565375864 /nfs/dbraw/zinc/37/58/64/565375864.db2.gz OZAYCXYUMYUNRW-CQSZACIVSA-N 1 0 394.269 2.845 20 0 GFADRO COc1cnc(N2CCC(C)(C[NH+]3CCN(C)CC3)CC2)c(Br)c1 ZINC000641489881 565376624 /nfs/dbraw/zinc/37/66/24/565376624.db2.gz VLHFWNAGDPLFDI-UHFFFAOYSA-N 1 0 397.361 2.707 20 0 GFADRO [NH3+]C[C@H]1CC[C@H](NC(=O)Cc2ccc(Br)c(Br)c2)C1 ZINC000662569821 565377065 /nfs/dbraw/zinc/37/70/65/565377065.db2.gz CKYVZQXPCRNRKG-QWRGUYRKSA-N 1 0 390.119 2.998 20 0 GFADRO [NH3+]C[C@H]1CC[C@H](CNC(=O)c2cc(Br)cc3c2OCCO3)CC1 ZINC000662564011 565377498 /nfs/dbraw/zinc/37/74/98/565377498.db2.gz LZMOZFNEPLUACL-HAQNSBGRSA-N 1 0 383.286 2.715 20 0 GFADRO N[C@H](C(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3)c1ccccc1Br ZINC000662577657 565378180 /nfs/dbraw/zinc/37/81/80/565378180.db2.gz BVGLCDJIXCCGOQ-HOUAESTISA-N 1 0 392.341 2.719 20 0 GFADRO COC(=O)c1cc(Br)cc(C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)c1 ZINC000594198675 565378565 /nfs/dbraw/zinc/37/85/65/565378565.db2.gz USPNWEJQSGYZRL-HZPDHXFCSA-N 1 0 395.297 2.982 20 0 GFADRO C[C@@H](CNC(=O)c1cc(C(C)(C)[NH3+])no1)Oc1ccc(Br)cc1 ZINC000662629920 565379355 /nfs/dbraw/zinc/37/93/55/565379355.db2.gz BHKDQKPGFQGUQI-JTQLQIEISA-N 1 0 382.258 2.828 20 0 GFADRO COc1ncc(C(=O)N2CCC[C@H](C3CC[NH2+]CC3)C2)cc1Br ZINC000662593854 565379564 /nfs/dbraw/zinc/37/95/64/565379564.db2.gz NTFUZCZVIWAGHN-ZDUSSCGKSA-N 1 0 382.302 2.705 20 0 GFADRO CC[C@@H](Cc1ccc(Br)cc1)NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC000620337719 565379842 /nfs/dbraw/zinc/37/98/42/565379842.db2.gz DMOSGDKDPTTWKI-INIZCTEOSA-N 1 0 393.329 2.958 20 0 GFADRO CN(CC(C)(C)[NH3+])C(=O)c1cnn(-c2ncccc2Cl)c1C(F)(F)F ZINC000662611352 565380052 /nfs/dbraw/zinc/38/00/52/565380052.db2.gz YOFAKFJDQRZNJG-UHFFFAOYSA-N 1 0 375.782 2.749 20 0 GFADRO O=C(c1c[nH]nc1[C@@H]1CC[NH2+]C1)N1CCc2c(F)cc(Br)cc2C1 ZINC000662658030 565380613 /nfs/dbraw/zinc/38/06/13/565380613.db2.gz YXVZHVQEULUZQA-SNVBAGLBSA-N 1 0 393.260 2.587 20 0 GFADRO CC[NH+](CC)CC[C@@H](CO)Nc1ncnc(C(F)(F)F)c1Br ZINC000641549189 565381960 /nfs/dbraw/zinc/38/19/60/565381960.db2.gz VAJGSVCKUSFDOU-VIFPVBQESA-N 1 0 385.228 2.763 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)NCC[C@@H]([NH3+])C(C)C ZINC000662728190 565382864 /nfs/dbraw/zinc/38/28/64/565382864.db2.gz IQDMGGZHYNKPHM-HUUCEWRRSA-N 1 0 386.583 2.841 20 0 GFADRO CC(C)(C)n1cc(Br)c(C(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)n1 ZINC000662786265 565384164 /nfs/dbraw/zinc/38/41/64/565384164.db2.gz VVNIQAUOWUAJCA-STQMWFEESA-N 1 0 383.334 2.862 20 0 GFADRO COCC1(CNC(=O)c2cc3c(ccc(Br)c3C)[nH]2)CC[NH2+]CC1 ZINC000662775291 565384722 /nfs/dbraw/zinc/38/47/22/565384722.db2.gz CAYQUWOITRAPHH-UHFFFAOYSA-N 1 0 394.313 2.985 20 0 GFADRO O=C([C@@H]1C[C@H]1c1cccc(Br)c1)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000620473938 565384682 /nfs/dbraw/zinc/38/46/82/565384682.db2.gz BYIXPUJDNHYQIQ-OKZBNKHCSA-N 1 0 393.325 2.610 20 0 GFADRO Cc1sc(Br)c(C(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)c1C ZINC000620478169 565384838 /nfs/dbraw/zinc/38/48/38/565384838.db2.gz TUWUZXUUPNZEFG-CYBMUJFWSA-N 1 0 387.343 2.799 20 0 GFADRO CN1CC[C@H](NC(=O)[C@]2(C(F)(F)F)CC[NH2+]C2)[C@H]1c1ccc(Cl)cc1 ZINC000662796841 565384890 /nfs/dbraw/zinc/38/48/90/565384890.db2.gz CSGGDSZQVPZPAP-LZWOXQAQSA-N 1 0 375.822 2.743 20 0 GFADRO O=C(c1cc(Br)cc2c1OCCO2)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000662814156 565385837 /nfs/dbraw/zinc/38/58/37/565385837.db2.gz QKTISYKAEYGLHL-DOMZBBRYSA-N 1 0 395.297 2.825 20 0 GFADRO O=C(CCOc1ccc(Cl)c(Cl)c1)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000620486313 565385933 /nfs/dbraw/zinc/38/59/33/565385933.db2.gz CRUBPMYVZUSQSM-AWEZNQCLSA-N 1 0 387.307 2.820 20 0 GFADRO O=C(c1cc(-c2ccc(Cl)s2)on1)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000620487011 565386211 /nfs/dbraw/zinc/38/62/11/565386211.db2.gz QGFYCIVUPMVGGT-GFCCVEGCSA-N 1 0 381.885 2.728 20 0 GFADRO O=C(NCCNc1cccc(Br)c1)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662800585 565386306 /nfs/dbraw/zinc/38/63/06/565386306.db2.gz FIPKFIOCMRDMFD-CYBMUJFWSA-N 1 0 380.208 2.519 20 0 GFADRO C[C@H](Cc1ccc(Br)cc1)C(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000620480674 565386437 /nfs/dbraw/zinc/38/64/37/565386437.db2.gz IIVIPBAKODHUFE-RDTXWAMCSA-N 1 0 395.341 2.685 20 0 GFADRO C[C@@H]1CCCN(C(=O)c2ccc(Cl)c(NS(C)(=O)=O)c2)[C@@H]1CCC[NH3+] ZINC000662893306 565390132 /nfs/dbraw/zinc/39/01/32/565390132.db2.gz XIVNSJFYJQYDJM-MLGOLLRUSA-N 1 0 387.933 2.691 20 0 GFADRO CC(C)CN(Cc1ccccc1Br)C(=O)C(=O)N(C)CC(C)(C)[NH3+] ZINC000662941650 565390911 /nfs/dbraw/zinc/39/09/11/565390911.db2.gz AHLLRRPKGZIPJC-UHFFFAOYSA-N 1 0 398.345 2.629 20 0 GFADRO C[C@@]1(NC(=O)c2nn(-c3cccc(Br)c3)c3c2CCC3)CC[NH2+]C1 ZINC000663009844 565393412 /nfs/dbraw/zinc/39/34/12/565393412.db2.gz LLIIBJVGTNOAGM-GOSISDBHSA-N 1 0 389.297 2.605 20 0 GFADRO C[NH+](C)CCC[C@H]1CN(C(=O)CCOc2cccc(Br)c2)CCO1 ZINC000620964336 565401830 /nfs/dbraw/zinc/40/18/30/565401830.db2.gz XXKYVAKMRDJBEY-KRWDZBQOSA-N 1 0 399.329 2.787 20 0 GFADRO COc1ccc(Br)c(C(=O)N2CCO[C@H](CCC[NH+](C)C)C2)c1 ZINC000620963820 565402303 /nfs/dbraw/zinc/40/23/03/565402303.db2.gz NPLOCVZOSOEMSQ-CQSZACIVSA-N 1 0 385.302 2.641 20 0 GFADRO C[C@H](CC(=O)NC[C@@H]1CCC[N@H+](CC2CC2)C1)n1cc(Br)cn1 ZINC000621099749 565406388 /nfs/dbraw/zinc/40/63/88/565406388.db2.gz AJCQXADGLKKZFS-HIFRSBDPSA-N 1 0 383.334 2.835 20 0 GFADRO COc1cc(CNCC2([NH3+])CCCC2)cc(I)c1OC ZINC000594739270 565412972 /nfs/dbraw/zinc/41/29/72/565412972.db2.gz RKYPBTMDWPUCPV-UHFFFAOYSA-N 1 0 390.265 2.670 20 0 GFADRO COc1cccc([C@H](CNC(=O)c2cc(Br)c[nH]c2=O)[NH+](C)C)c1 ZINC000621261895 565413662 /nfs/dbraw/zinc/41/36/62/565413662.db2.gz HZZFTPQWJACYDV-HNNXBMFYSA-N 1 0 394.269 2.591 20 0 GFADRO O=C(c1cc(Br)c[nH]c1=O)N1CCN(Cc2ccsc2)CC1 ZINC000621300663 565416716 /nfs/dbraw/zinc/41/67/16/565416716.db2.gz UUSQKUGGSAMEIO-UHFFFAOYSA-N 1 0 382.283 2.569 20 0 GFADRO C[C@@H](CNC(=O)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH+]1CCCC1 ZINC000643003749 565419823 /nfs/dbraw/zinc/41/98/23/565419823.db2.gz JSCAHMMYGMNCII-JTQLQIEISA-N 1 0 377.794 2.898 20 0 GFADRO CSC1(CNS(=O)(=O)Cc2cc(F)ccc2Cl)CC[NH+](C)CC1 ZINC000594778268 565420421 /nfs/dbraw/zinc/42/04/21/565420421.db2.gz GCPYRGOGOYNBGB-UHFFFAOYSA-N 1 0 380.938 2.726 20 0 GFADRO [NH3+][C@@H]1CCO[C@@H](C2CCN(S(=O)(=O)Cc3cc(Cl)ccc3F)CC2)C1 ZINC000643096545 565420992 /nfs/dbraw/zinc/42/09/92/565420992.db2.gz FJYCEQNQXBPXLJ-NVXWUHKLSA-N 1 0 390.908 2.527 20 0 GFADRO COC(=O)c1ccc(Cl)cc1S(=O)(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000594792425 565421127 /nfs/dbraw/zinc/42/11/27/565421127.db2.gz QRVXSMXAWLTWRB-LBPRGKRZSA-N 1 0 388.917 2.525 20 0 GFADRO Brc1cccc(-c2nc(CN3CCOC4(C[NH2+]C4)C3)cs2)c1 ZINC000663512319 565423979 /nfs/dbraw/zinc/42/39/79/565423979.db2.gz IPLUTVSHTOGRCN-UHFFFAOYSA-N 1 0 380.311 2.747 20 0 GFADRO COCC[N@H+](C)CCCNC(=O)N(C)[C@H](CO)c1cccc(Cl)c1Cl ZINC000663691828 565430502 /nfs/dbraw/zinc/43/05/02/565430502.db2.gz NCHYRXNFGACJRM-OAHLLOKOSA-N 1 0 392.327 2.637 20 0 GFADRO Brc1ccc2nnc(N3CC[C@@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)n2c1 ZINC000663737089 565433011 /nfs/dbraw/zinc/43/30/11/565433011.db2.gz RMFCLPHWPLCUJQ-SWLSCSKDSA-N 1 0 376.302 2.945 20 0 GFADRO COc1ccc(NC(=O)c2cnn([C@@H]3CCC[NH2+]C3)c2)c(Br)c1 ZINC000643490384 565433877 /nfs/dbraw/zinc/43/38/77/565433877.db2.gz FXYYMJBCZJSICH-GFCCVEGCSA-N 1 0 379.258 2.831 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)C2(c3ccc(Br)cc3)CCCC2)CCCO1 ZINC000643605664 565435021 /nfs/dbraw/zinc/43/50/21/565435021.db2.gz ZJMYOMQLWCQDQW-MRXNPFEDSA-N 1 0 381.314 2.837 20 0 GFADRO COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000594936575 565436033 /nfs/dbraw/zinc/43/60/33/565436033.db2.gz FIJNUCDHODAHOB-HFBAOOFYSA-N 1 0 378.270 2.922 20 0 GFADRO C[C@H](CCNC(=O)NC[C@H]1CCN(c2cccc(Br)c2)C1)[NH+](C)C ZINC000663803325 565437036 /nfs/dbraw/zinc/43/70/36/565437036.db2.gz FFNCDQSDYKPMBG-HUUCEWRRSA-N 1 0 397.361 2.915 20 0 GFADRO COC(=O)[C@@H]1C[C@H]1[C@@H](C)[NH2+]CCc1cn2cc(Br)cc(C)c2n1 ZINC000594946606 565437164 /nfs/dbraw/zinc/43/71/64/565437164.db2.gz QLQUCBCHBLHDAY-BYCMXARLSA-N 1 0 380.286 2.735 20 0 GFADRO C[S@](=O)[C@@H]1CCC[C@H]([NH2+]Cc2cn(-c3ccccc3Br)nn2)C1 ZINC000594964245 565438645 /nfs/dbraw/zinc/43/86/45/565438645.db2.gz CKSVIWRZBLPDPE-ZSDPLGQISA-N 1 0 397.342 2.809 20 0 GFADRO CCS(=O)(=O)CCC[NH2+][C@@H]1CCc2ccc(I)cc21 ZINC000595046232 565446222 /nfs/dbraw/zinc/44/62/22/565446222.db2.gz YVVPRQQWIJHMMA-CQSZACIVSA-N 1 0 393.290 2.693 20 0 GFADRO CC(=O)N1CCC([NH2+][C@H]2CCc3ccc(I)cc32)CC1 ZINC000595003321 565441235 /nfs/dbraw/zinc/44/12/35/565441235.db2.gz HBCIBFSBLGYHDO-INIZCTEOSA-N 1 0 384.261 2.879 20 0 GFADRO O=C1CCCN1CCC[NH2+][C@H]1CCc2ccc(I)cc21 ZINC000595003624 565441350 /nfs/dbraw/zinc/44/13/50/565441350.db2.gz IXYGGMNBJQWZRE-HNNXBMFYSA-N 1 0 384.261 2.881 20 0 GFADRO OC[C@H]([NH2+][C@@H]1CCc2ccc(I)cc21)C1CCOCC1 ZINC000595031806 565444798 /nfs/dbraw/zinc/44/47/98/565444798.db2.gz FNUYJLGLGYDUMK-CVEARBPZSA-N 1 0 387.261 2.656 20 0 GFADRO CCSC1(C[NH2+][C@H](C)c2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 ZINC000595098258 565448241 /nfs/dbraw/zinc/44/82/41/565448241.db2.gz FTVPCMREPAGJHZ-OAHLLOKOSA-N 1 0 384.567 2.644 20 0 GFADRO [NH3+][C@@]12CCC[C@@H]1CN(S(=O)(=O)c1ccc(Br)cc1Cl)C2 ZINC000622013711 565455655 /nfs/dbraw/zinc/45/56/55/565455655.db2.gz UUDYPDIRWRLZNR-NOZJJQNGSA-N 1 0 379.707 2.604 20 0 GFADRO CC1(C)C[NH2+]CCN1C(=O)c1nn(-c2ccc(F)cc2)cc1Br ZINC000644073771 565457096 /nfs/dbraw/zinc/45/70/96/565457096.db2.gz JGCRMCAKBNHFNT-UHFFFAOYSA-N 1 0 381.249 2.598 20 0 GFADRO O=C(COc1ccc(F)cc1Br)Nc1cnc2c(c1)C[NH2+]CC2 ZINC000644103503 565458797 /nfs/dbraw/zinc/45/87/97/565458797.db2.gz NVAUVIUTBIIRJB-UHFFFAOYSA-N 1 0 380.217 2.646 20 0 GFADRO C[NH2+]C[C@H](C)NC(=O)N1CCC[C@@H]1c1ccc(I)cc1 ZINC000595275193 565460215 /nfs/dbraw/zinc/46/02/15/565460215.db2.gz IUMGARRXUSTCBU-SMDDNHRTSA-N 1 0 387.265 2.746 20 0 GFADRO [NH3+]C1(C(=O)Nc2nc3cc(I)ccc3[nH]2)CCCCC1 ZINC000595259199 565460219 /nfs/dbraw/zinc/46/02/19/565460219.db2.gz ISWUWRDVKYPBIX-UHFFFAOYSA-N 1 0 384.221 2.768 20 0 GFADRO O=C(Nc1ccc(Br)cc1F)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000664453305 565463256 /nfs/dbraw/zinc/46/32/56/565463256.db2.gz ZIALLJDGAYKQSV-CYBMUJFWSA-N 1 0 386.265 2.651 20 0 GFADRO C[N@@H+]1C[C@@H]2CCN(S(=O)(=O)c3cc(Cl)c(Br)cc3F)[C@@H]2C1 ZINC000644301127 565471147 /nfs/dbraw/zinc/47/11/47/565471147.db2.gz SAIJJKJTFDHINA-QPUJVOFHSA-N 1 0 397.697 2.566 20 0 GFADRO Cc1cc(Br)cn2cc(CNC(=O)NCC[C@@H](C)[NH+](C)C)nc12 ZINC000664658861 565472689 /nfs/dbraw/zinc/47/26/89/565472689.db2.gz HBUKXKJFGGNKJN-GFCCVEGCSA-N 1 0 382.306 2.545 20 0 GFADRO CC(C)[NH2+][C@@H]1CCCN(C(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CC2)C1 ZINC000664723098 565475405 /nfs/dbraw/zinc/47/54/05/565475405.db2.gz PWUJMUAPQZYXND-OAHLLOKOSA-N 1 0 384.929 2.635 20 0 GFADRO COc1ncc(Br)cc1CN1C[C@@H](SC)[C@H]([NH+]2CCCC2)C1 ZINC000595433946 565477568 /nfs/dbraw/zinc/47/75/68/565477568.db2.gz XEPJYACBUYSKNW-HUUCEWRRSA-N 1 0 386.359 2.864 20 0 GFADRO Cc1csc(CC[NH2+]CCS(=O)(=O)c2cccc(Br)c2)n1 ZINC000644516476 565479497 /nfs/dbraw/zinc/47/94/97/565479497.db2.gz HYXPWRLYDVULPC-UHFFFAOYSA-N 1 0 389.340 2.820 20 0 GFADRO CC(=O)N1CCC(C[NH2+]C[C@H](O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000644547777 565481981 /nfs/dbraw/zinc/48/19/81/565481981.db2.gz RIPUFBXVNYITTI-AWEZNQCLSA-N 1 0 375.296 2.581 20 0 GFADRO CC[C@@H](CN1CCCC1)[NH2+]C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000644569469 565483074 /nfs/dbraw/zinc/48/30/74/565483074.db2.gz RHODJGNRHCDBOB-HOTGVXAUSA-N 1 0 389.309 2.792 20 0 GFADRO C[NH+]1CCN(c2cc(-c3noc(-c4cc(Br)co4)n3)ccn2)CC1 ZINC000664931218 565484567 /nfs/dbraw/zinc/48/45/67/565484567.db2.gz ZSZDSKXYHACXON-UHFFFAOYSA-N 1 0 390.241 2.906 20 0 GFADRO CCc1nn(C)c(OC)c1C[NH2+]C[C@@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000644618177 565485410 /nfs/dbraw/zinc/48/54/10/565485410.db2.gz MUJMUGQWWLNEHS-LLVKDONJSA-N 1 0 388.295 2.827 20 0 GFADRO CN(CCC[NH+](C)C)CCNC(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000665183211 565492594 /nfs/dbraw/zinc/49/25/94/565492594.db2.gz RTYQWJRFIAFHGT-UHFFFAOYSA-N 1 0 378.851 2.946 20 0 GFADRO Cc1ccc(NC(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)c(Br)c1 ZINC000665173011 565492733 /nfs/dbraw/zinc/49/27/33/565492733.db2.gz PNNDMROMWBALEX-CQSZACIVSA-N 1 0 382.302 2.820 20 0 GFADRO [NH3+]Cc1cc(=O)[nH]c(CN[C@@H](c2ccc(Br)cc2F)C2CC2)n1 ZINC000665292470 565496333 /nfs/dbraw/zinc/49/63/33/565496333.db2.gz AMMKJQGAQVZVEZ-MRXNPFEDSA-N 1 0 381.249 2.783 20 0 GFADRO COC(=O)[C@H](c1ccccc1Br)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000595895248 565496581 /nfs/dbraw/zinc/49/65/81/565496581.db2.gz GOSDRJITDQDNFD-PBHICJAKSA-N 1 0 381.314 2.985 20 0 GFADRO C[N@@H+]1C[C@H]2CCN(S(=O)(=O)c3ccc4ccccc4c3Br)[C@H]2C1 ZINC000644862508 565498929 /nfs/dbraw/zinc/49/89/29/565498929.db2.gz RTWQRFAZEZROSS-HIFRSBDPSA-N 1 0 395.322 2.927 20 0 GFADRO O=C(NCc1cc(Cl)ccc1I)[C@H]1C[C@]12CC[NH2+]C2 ZINC000595937634 565500055 /nfs/dbraw/zinc/50/00/55/565500055.db2.gz ILHZLMJPPISYTQ-RISCZKNCSA-N 1 0 390.652 2.560 20 0 GFADRO O=C(CCC1CC[NH2+]CC1)Nc1nc2cc(I)ccc2[nH]1 ZINC000595946482 565501447 /nfs/dbraw/zinc/50/14/47/565501447.db2.gz DSTVNQRXMPNGBK-UHFFFAOYSA-N 1 0 398.248 2.886 20 0 GFADRO O=C(NCc1cc(Cl)ccc1I)[C@@H]1CCCC[NH2+]1 ZINC000595964237 565502031 /nfs/dbraw/zinc/50/20/31/565502031.db2.gz XTGFCXMUDGBVMM-LBPRGKRZSA-N 1 0 378.641 2.703 20 0 GFADRO C[N@H+](CC(=O)N1CCc2ccc(F)c(Br)c2C1)[C@H]1CCSC1 ZINC000623262927 565502107 /nfs/dbraw/zinc/50/21/07/565502107.db2.gz WABWPQYWLPCAQA-LBPRGKRZSA-N 1 0 387.318 2.910 20 0 GFADRO C[C@H]1CC[NH2+][C@@H](C(=O)NCc2cc(Cl)ccc2I)C1 ZINC000595963385 565502525 /nfs/dbraw/zinc/50/25/25/565502525.db2.gz QIFNUSITMYGZNG-TVQRCGJNSA-N 1 0 392.668 2.949 20 0 GFADRO Nc1ccc(F)c(NC(=O)CC[N@@H+]2CCc3nccc(Br)c3C2)c1 ZINC000623287162 565503228 /nfs/dbraw/zinc/50/32/28/565503228.db2.gz ROVMDZTXIJXENJ-UHFFFAOYSA-N 1 0 393.260 2.952 20 0 GFADRO Clc1cc(Cl)c(OCCN2CCOCC2)c(C[NH2+]C[C@H]2CCCO2)c1 ZINC000623337365 565504102 /nfs/dbraw/zinc/50/41/02/565504102.db2.gz HAHAQUYNDOZHGS-MRXNPFEDSA-N 1 0 389.323 2.973 20 0 GFADRO C[C@H](NC(=O)N1CC[C@@H]([NH+]2CCCCC2)C1)c1ncc(Br)cn1 ZINC000644969116 565504799 /nfs/dbraw/zinc/50/47/99/565504799.db2.gz AHBXVAWJODBNCC-GXTWGEPZSA-N 1 0 382.306 2.570 20 0 GFADRO C[C@@H](CNC(=O)c1cc(Br)c2c(c1)OCCO2)C[NH+]1CCCC1 ZINC000623356049 565505935 /nfs/dbraw/zinc/50/59/35/565505935.db2.gz ZALKFDJYMKXTJG-LBPRGKRZSA-N 1 0 383.286 2.682 20 0 GFADRO CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)NCCC[NH+](C)C ZINC000623362663 565506159 /nfs/dbraw/zinc/50/61/59/565506159.db2.gz DQLFTXNYUJOJHX-UHFFFAOYSA-N 1 0 375.300 2.915 20 0 GFADRO CC[C@](C)(O)C[NH2+]Cc1cc(Cl)cc(Cl)c1OCCN1CCOCC1 ZINC000623408475 565507902 /nfs/dbraw/zinc/50/79/02/565507902.db2.gz XGYWPOJMWNCSBX-SFHVURJKSA-N 1 0 391.339 2.955 20 0 GFADRO C[C@H](CNCc1cc(Cl)cc(Cl)c1OCCN1CCOCC1)[NH+](C)C ZINC000623403178 565508110 /nfs/dbraw/zinc/50/81/10/565508110.db2.gz LXRJJMVTQUMVNU-CQSZACIVSA-N 1 0 390.355 2.744 20 0 GFADRO COc1ncc(Br)cc1CNC(=O)NCC[N@@H+]1CCCC[C@H]1C ZINC000623461445 565512370 /nfs/dbraw/zinc/51/23/70/565512370.db2.gz LFRXPMZPKXNZIE-GFCCVEGCSA-N 1 0 385.306 2.526 20 0 GFADRO Cc1nc(-c2cccs2)c(CC(=O)N[C@H](CO)C[NH+]2CCCCC2)s1 ZINC000665889995 565515043 /nfs/dbraw/zinc/51/50/43/565515043.db2.gz RVCSQWRABYJMOK-AWEZNQCLSA-N 1 0 379.551 2.686 20 0 GFADRO C[C@H](CCNC(=O)NCCc1ccc(I)s1)[NH+](C)C ZINC000596239806 565516956 /nfs/dbraw/zinc/51/69/56/565516956.db2.gz KFGYUEFZWKXSEP-SNVBAGLBSA-N 1 0 395.310 2.535 20 0 GFADRO C[NH+](C)CC1CN(c2nc(C(F)(F)F)ccc2I)C1 ZINC000596246555 565516972 /nfs/dbraw/zinc/51/69/72/565516972.db2.gz HHVDVYLQQLYAEV-UHFFFAOYSA-N 1 0 385.171 2.703 20 0 GFADRO C[C@@H]([NH2+]C[C@H]1CCCN(S(C)(=O)=O)C1)c1ccc(F)c(Br)c1 ZINC000645196236 565516976 /nfs/dbraw/zinc/51/69/76/565516976.db2.gz LPJDPTGKEDCTSE-VXGBXAGGSA-N 1 0 393.322 2.910 20 0 GFADRO OC[C@]1([C@@H]([NH2+]C[C@H](O)COc2ccc(Cl)c(Cl)c2)C2CC2)CCCO1 ZINC000645264173 565518718 /nfs/dbraw/zinc/51/87/18/565518718.db2.gz ZDSMMTJODLBWOZ-KKXDTOCCSA-N 1 0 390.307 2.643 20 0 GFADRO CCC[N@H+](CC)CCNC(=O)NCc1cc(OC)c(O)cc1Br ZINC000645340337 565521543 /nfs/dbraw/zinc/52/15/43/565521543.db2.gz PGQXBCLTPIMYLC-UHFFFAOYSA-N 1 0 388.306 2.694 20 0 GFADRO COc1ccc(NC(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)cc1Br ZINC000666064751 565522185 /nfs/dbraw/zinc/52/21/85/565522185.db2.gz UXSIFGCYOZHMCH-CQSZACIVSA-N 1 0 398.301 2.833 20 0 GFADRO Cc1cc(C[NH2+][C@H]2CCN(c3ccc4nncn4n3)C2)ccc1Br ZINC000623652236 565522775 /nfs/dbraw/zinc/52/27/75/565522775.db2.gz AKKJXELVMGTHSB-AWEZNQCLSA-N 1 0 387.285 2.564 20 0 GFADRO OC[C@@]1([NH2+]Cc2cnc3cnccn23)CCc2cc(Br)ccc2C1 ZINC000623645332 565523266 /nfs/dbraw/zinc/52/32/66/565523266.db2.gz XZYPNOHBPLJSGZ-GOSISDBHSA-N 1 0 387.281 2.501 20 0 GFADRO OC[C@@]1([NH2+]Cc2cn(C3CCC3)nn2)CCc2cc(Br)ccc2C1 ZINC000623645083 565523447 /nfs/dbraw/zinc/52/34/47/565523447.db2.gz NLGAYJATOKSABS-GOSISDBHSA-N 1 0 391.313 2.775 20 0 GFADRO C[C@H]1C[C@H](C)C[NH+](CCCNS(=O)(=O)c2ncccc2C(F)(F)F)C1 ZINC000645474321 565528104 /nfs/dbraw/zinc/52/81/04/565528104.db2.gz YSFBJSMIVJNFDO-STQMWFEESA-N 1 0 379.448 2.747 20 0 GFADRO C[C@@H]1C[C@@H](C)C[NH+](CCCNS(=O)(=O)c2ncccc2C(F)(F)F)C1 ZINC000645474320 565528128 /nfs/dbraw/zinc/52/81/28/565528128.db2.gz YSFBJSMIVJNFDO-CHWSQXEVSA-N 1 0 379.448 2.747 20 0 GFADRO O=c1ccc([C@@H]2OCC[C@H]2[NH2+]Cc2cc3c(cc2Br)OCO3)c[nH]1 ZINC000623736885 565528334 /nfs/dbraw/zinc/52/83/34/565528334.db2.gz KTCKWUCIBOQKIK-DYVFJYSZSA-N 1 0 393.237 2.898 20 0 GFADRO O=C(NCC[NH+]1CCCCCC1)[C@@H]1CCO[C@H]1c1cncc(Br)c1 ZINC000666249140 565529587 /nfs/dbraw/zinc/52/95/87/565529587.db2.gz VSXPSUFREPSYHO-SJORKVTESA-N 1 0 396.329 2.914 20 0 GFADRO O=C(Nc1cc(F)ccc1Br)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000666324994 565531912 /nfs/dbraw/zinc/53/19/12/565531912.db2.gz QRGLOQDVTMYYNH-CYBMUJFWSA-N 1 0 386.265 2.963 20 0 GFADRO O=C1[C@H]([NH2+]Cc2cnn(-c3ccc(Br)cc3)c2)CCN1C1CCC1 ZINC000623840293 565532695 /nfs/dbraw/zinc/53/26/95/565532695.db2.gz VBLBKUFPCCZEMO-QGZVFWFLSA-N 1 0 389.297 2.878 20 0 GFADRO CC(C)(O)C[NH+]1CCN(c2nccc(-c3ccc(Br)cc3)n2)CC1 ZINC000623929651 565536222 /nfs/dbraw/zinc/53/62/22/565536222.db2.gz MSOZMSDVYOJMDT-UHFFFAOYSA-N 1 0 391.313 2.799 20 0 GFADRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)[C@@H]1CCO[C@H]1c1cncc(Br)c1 ZINC000666451105 565538103 /nfs/dbraw/zinc/53/81/03/565538103.db2.gz INPJYICPYQUCQN-QZWWFDLISA-N 1 0 394.313 2.665 20 0 GFADRO CC[C@H](CNS(C)(=O)=O)[NH2+][C@@H](C)c1cc(F)c(Br)cc1F ZINC000623993476 565538322 /nfs/dbraw/zinc/53/83/22/565538322.db2.gz TYVTZOBFFJCENK-DTWKUNHWSA-N 1 0 385.274 2.706 20 0 GFADRO CC[C@@H](CNS(C)(=O)=O)[NH2+][C@@H](C)Cc1ncc(C(F)(F)F)cc1Cl ZINC000623993025 565538507 /nfs/dbraw/zinc/53/85/07/565538507.db2.gz GOMBZNWSNBDAON-ONGXEEELSA-N 1 0 387.855 2.602 20 0 GFADRO CN(CC1C[NH+](C)C1)C(=O)Nc1cc(Cl)ccc1I ZINC000596919323 565541933 /nfs/dbraw/zinc/54/19/33/565541933.db2.gz IKVKKDRSDRORPE-UHFFFAOYSA-N 1 0 393.656 2.970 20 0 GFADRO C[C@@H]([NH2+][C@@H]1CCN(c2ccc3nncn3n2)C1)c1sccc1Br ZINC000624114888 565543858 /nfs/dbraw/zinc/54/38/58/565543858.db2.gz JNOLVZPYIWHKGI-GHMZBOCLSA-N 1 0 393.314 2.878 20 0 GFADRO CN(CCC[NH+](C)C)CCNC(=O)Nc1ccc(Cl)c(OC(F)F)c1 ZINC000666619577 565545589 /nfs/dbraw/zinc/54/55/89/565545589.db2.gz YOXQFRGWUXEHHP-UHFFFAOYSA-N 1 0 378.851 2.946 20 0 GFADRO Cc1cc(Br)c(CNC(=O)NCCN2C[C@H](C)OC[C@H]2C)s1 ZINC000666637957 565545881 /nfs/dbraw/zinc/54/58/81/565545881.db2.gz PERYBILZWXPUOK-MNOVXSKESA-N 1 0 390.347 2.727 20 0 GFADRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)Nc1ccc(I)cc1F ZINC000597024338 565548104 /nfs/dbraw/zinc/54/81/04/565548104.db2.gz HJOYDUVRUVNFIT-NXEZZACHSA-N 1 0 391.228 2.987 20 0 GFADRO CC(C)[NH+]1CCN([C@H]2CCN(Cc3c(F)cncc3Br)C2)CC1 ZINC000597028031 565549507 /nfs/dbraw/zinc/54/95/07/565549507.db2.gz ZYVVMSWSEOYOQW-AWEZNQCLSA-N 1 0 385.325 2.584 20 0 GFADRO COC(=O)c1ccc(C[NH2+][C@@H]2CCCN(CC(F)(F)F)C2=O)cc1Cl ZINC000597068342 565550799 /nfs/dbraw/zinc/55/07/99/565550799.db2.gz YKRIUSGHBWMVRD-CYBMUJFWSA-N 1 0 378.778 2.770 20 0 GFADRO NC(=O)CC1([NH2+]Cc2cc(Cl)ccc2I)CCC1 ZINC000597087151 565551473 /nfs/dbraw/zinc/55/14/73/565551473.db2.gz DTSPNRAECHCSPV-UHFFFAOYSA-N 1 0 378.641 2.832 20 0 GFADRO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@@H]1CCN(C2CCC2)C1=O ZINC000624342503 565552190 /nfs/dbraw/zinc/55/21/90/565552190.db2.gz FSKBQOCIUCRYIP-MLGOLLRUSA-N 1 0 394.313 2.909 20 0 GFADRO Cc1cc(S(=O)(=O)N2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)c(Cl)cc1F ZINC000624391051 565554741 /nfs/dbraw/zinc/55/47/41/565554741.db2.gz OVDMTOHSDDOTRY-NXEZZACHSA-N 1 0 388.814 2.935 20 0 GFADRO CCc1ccc(S(=O)(=O)N2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1CC ZINC000624391414 565554828 /nfs/dbraw/zinc/55/48/28/565554828.db2.gz XABRQIKSWHBOBJ-HOCLYGCPSA-N 1 0 378.460 2.959 20 0 GFADRO CC(C)Oc1ccc(S(=O)(=O)N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1 ZINC000624390504 565554833 /nfs/dbraw/zinc/55/48/33/565554833.db2.gz CWADCOFMACONPI-DOMZBBRYSA-N 1 0 380.432 2.622 20 0 GFADRO CCc1ccc(S(=O)(=O)N2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1CC ZINC000624391413 565554904 /nfs/dbraw/zinc/55/49/04/565554904.db2.gz XABRQIKSWHBOBJ-GOEBONIOSA-N 1 0 378.460 2.959 20 0 GFADRO COc1ccc(S(=O)(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)c(Cl)c1Cl ZINC000624412260 565556591 /nfs/dbraw/zinc/55/65/91/565556591.db2.gz QQXHYLQUVIJUSE-GASCZTMLSA-N 1 0 379.309 2.622 20 0 GFADRO C[C@]12C[NH2+]C[C@@]1(C)CN(S(=O)(=O)c1cc(Br)sc1Cl)C2 ZINC000624412381 565556863 /nfs/dbraw/zinc/55/68/63/565556863.db2.gz XEITXIJLWVCUJB-TXEJJXNPSA-N 1 0 399.763 2.784 20 0 GFADRO C[C@]12C[NH2+]C[C@@]1(C)CN(S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)C2 ZINC000624412651 565557048 /nfs/dbraw/zinc/55/70/48/565557048.db2.gz GFMSJXXLQOFENX-OKILXGFUSA-N 1 0 382.835 2.979 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)c1ccc(I)cc1F ZINC000597532321 565562632 /nfs/dbraw/zinc/56/26/32/565562632.db2.gz IMVRYKSFFCBJHP-CHWSQXEVSA-N 1 0 376.213 2.643 20 0 GFADRO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)Nc1cc(OC)c(OC)cc1Br ZINC000666920434 565563351 /nfs/dbraw/zinc/56/33/51/565563351.db2.gz FVGUPQJDWJDXHR-UWVGGRQHSA-N 1 0 390.253 2.630 20 0 GFADRO COc1ccc(C(=O)N2CCC[N@H+](C[C@H]3CCCO3)CC2)c(Br)c1 ZINC000624609610 565565571 /nfs/dbraw/zinc/56/55/71/565565571.db2.gz CMISFBXXIVTMLB-OAHLLOKOSA-N 1 0 397.313 2.785 20 0 GFADRO CC[C@H]1[NH2+]CC[C@@H]1C(=O)NCCC(=O)Nc1ccc(Br)cc1C ZINC000645858383 565569644 /nfs/dbraw/zinc/56/96/44/565569644.db2.gz ZJOCWOUAQMURAK-UONOGXRCSA-N 1 0 382.302 2.590 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CN(C(=O)Nc2ccc(Cl)cc2OCC(F)(F)F)CCO1 ZINC000667104650 565570303 /nfs/dbraw/zinc/57/03/03/565570303.db2.gz OFZKZCNVQOKTDJ-NOZJJQNGSA-N 1 0 381.782 2.861 20 0 GFADRO C[C@H](CN(C)C(=O)NC[C@@H]1COCCN1C)Oc1ccc(Cl)c(Cl)c1 ZINC000624727412 565573652 /nfs/dbraw/zinc/57/36/52/565573652.db2.gz AIQQULXANYEJLN-CHWSQXEVSA-N 1 0 390.311 2.733 20 0 GFADRO CN1CCOC[C@@H]1CNC(=O)N1CCC[C@H]1c1ccccc1Br ZINC000624735670 565574159 /nfs/dbraw/zinc/57/41/59/565574159.db2.gz DJBKLXLSBRQVQQ-BBRMVZONSA-N 1 0 382.302 2.626 20 0 GFADRO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)Nc1nc2cc(Br)ccn2n1 ZINC000667192441 565575919 /nfs/dbraw/zinc/57/59/19/565575919.db2.gz USRLWYMBDBIQNL-LBPRGKRZSA-N 1 0 395.305 2.734 20 0 GFADRO Cc1cc(Br)c(F)cc1S(=O)(=O)N(C)C1CC[NH+](C)CC1 ZINC000624787326 565576431 /nfs/dbraw/zinc/57/64/31/565576431.db2.gz OPZAQONEBGOZOR-UHFFFAOYSA-N 1 0 379.295 2.611 20 0 GFADRO O=C(CC[N@@H+]1CCN2CC(F)(F)C[C@H]2C1)Nc1cccc(Br)c1 ZINC000645937069 565576681 /nfs/dbraw/zinc/57/66/81/565576681.db2.gz CGSSKDZMIUQKNL-AWEZNQCLSA-N 1 0 388.256 2.803 20 0 GFADRO C[N@@H+]1CC[C@](O)(CNC(=O)N[C@H]2CCCCc3cc(Br)ccc32)C1 ZINC000667212984 565577083 /nfs/dbraw/zinc/57/70/83/565577083.db2.gz GXFJJESTSYQZTE-WMZOPIPTSA-N 1 0 396.329 2.582 20 0 GFADRO C[NH+](C)C[C@](C)(O)CNC(=O)N[C@@H]1CCCCc2cc(Br)ccc21 ZINC000667213251 565578019 /nfs/dbraw/zinc/57/80/19/565578019.db2.gz PRLGWWBXNBNMCN-SJLPKXTDSA-N 1 0 398.345 2.828 20 0 GFADRO C[C@]([NH3+])(C(=O)NCc1cc2c([nH]c1=O)CCC2)c1ccc(Br)cc1 ZINC000645986718 565580345 /nfs/dbraw/zinc/58/03/45/565580345.db2.gz FRYAHGCGIFBSAQ-GOSISDBHSA-N 1 0 390.281 2.529 20 0 GFADRO COC(=O)c1cc(Br)cc(C(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)c1 ZINC000597923711 565581929 /nfs/dbraw/zinc/58/19/29/565581929.db2.gz OSIDNHBWRFIVAZ-AWEZNQCLSA-N 1 0 383.286 2.838 20 0 GFADRO COCCOc1ccc(Br)cc1NC(=O)N[C@H]1CCC[NH2+]CC1 ZINC000667339133 565582443 /nfs/dbraw/zinc/58/24/43/565582443.db2.gz ZSICEVVHMQCXBU-ZDUSSCGKSA-N 1 0 386.290 2.738 20 0 GFADRO CCOCCOc1ccc(Br)cc1NC(=O)NCC[NH2+]C1CC1 ZINC000667341816 565582494 /nfs/dbraw/zinc/58/24/94/565582494.db2.gz IDVDCPRYLUFJEN-UHFFFAOYSA-N 1 0 386.290 2.738 20 0 GFADRO CN(C)S(=O)(=O)c1cc(NC(=O)C[N@H+](C)CCC(C)(C)C)ccc1Cl ZINC000646027838 565583031 /nfs/dbraw/zinc/58/30/31/565583031.db2.gz IEVWJSOVSHPTKD-UHFFFAOYSA-N 1 0 389.949 2.897 20 0 GFADRO CCN(C(=O)c1cc(Br)cc(C(=O)OC)c1)[C@H]1CC[N@H+](CC)C1 ZINC000598040214 565590008 /nfs/dbraw/zinc/59/00/08/565590008.db2.gz NQAIQXWAIJIMOS-HNNXBMFYSA-N 1 0 383.286 2.792 20 0 GFADRO Cc1cc(Br)c(F)cc1S(=O)(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000625019257 565590530 /nfs/dbraw/zinc/59/05/30/565590530.db2.gz XOXULNCGMJAJEN-WDEREUQCSA-N 1 0 379.295 2.658 20 0 GFADRO CC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2cc(F)c(Br)cc2C)C1 ZINC000625025178 565590644 /nfs/dbraw/zinc/59/06/44/565590644.db2.gz DBSZTHZRJFBVTK-LBPRGKRZSA-N 1 0 393.322 2.859 20 0 GFADRO O=C(COc1cc(Cl)c(Cl)cc1Cl)N[C@@H](CO)C[NH+]1CCCC1 ZINC000646220024 565591613 /nfs/dbraw/zinc/59/16/13/565591613.db2.gz CPJDHDOZSVTMFH-SNVBAGLBSA-N 1 0 381.687 2.599 20 0 GFADRO CC(C)C[NH+]1CCN([C@@H]2CCc3cc(Br)ccc3NC2=O)CC1 ZINC000625045125 565592605 /nfs/dbraw/zinc/59/26/05/565592605.db2.gz STCBDIXGQPMPKC-QGZVFWFLSA-N 1 0 380.330 2.976 20 0 GFADRO CC(C)Sc1ccc(Cl)cc1NC(=O)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000667540543 565593442 /nfs/dbraw/zinc/59/34/42/565593442.db2.gz NTJKVXYPMHDJFU-DOMZBBRYSA-N 1 0 381.929 2.989 20 0 GFADRO C[C@@H]([NH3+])CNC(=O)Nc1cnn(Cc2ccc(Br)cc2Cl)c1 ZINC000667675897 565599420 /nfs/dbraw/zinc/59/94/20/565599420.db2.gz DWUVIHJQMXKLQO-SECBINFHSA-N 1 0 386.681 2.816 20 0 GFADRO Cn1nc2cc(Br)ccc2c1C(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000646366563 565600246 /nfs/dbraw/zinc/60/02/46/565600246.db2.gz GWYSULVPXSSLIX-ZDUSSCGKSA-N 1 0 391.313 2.798 20 0 GFADRO CN1CC[NH+](CC2CN(C(=O)[C@H]3C[C@H]3c3ccc(Cl)cc3Cl)C2)CC1 ZINC000646458450 565603767 /nfs/dbraw/zinc/60/37/67/565603767.db2.gz YUXHMLQVKMNFPC-IRXDYDNUSA-N 1 0 382.335 2.803 20 0 GFADRO C[N@@H+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)CCc1ccccc1Br ZINC000646445561 565603881 /nfs/dbraw/zinc/60/38/81/565603881.db2.gz TUJPEBWGFWRFDL-SJORKVTESA-N 1 0 381.314 2.703 20 0 GFADRO C[N@@H+]1CCC[C@H]1[C@H]1COCCN1C(=O)CCc1ccc(Br)cc1 ZINC000646446362 565604009 /nfs/dbraw/zinc/60/40/09/565604009.db2.gz ZPVKJUPTEJASAA-DLBZAZTESA-N 1 0 381.314 2.703 20 0 GFADRO O=C1Nc2ccc(Br)cc2CC[C@H]1N1CC[NH+](C2CCC2)CC1 ZINC000625163738 565604557 /nfs/dbraw/zinc/60/45/57/565604557.db2.gz ALDSRDWFWCUANO-QGZVFWFLSA-N 1 0 378.314 2.873 20 0 GFADRO CN(CC[NH+](C)C)C(=O)Nc1cnc(-c2ccc(Br)s2)nc1 ZINC000646541022 565606429 /nfs/dbraw/zinc/60/64/29/565606429.db2.gz HFAVGOXELUSZKN-UHFFFAOYSA-N 1 0 384.303 2.993 20 0 GFADRO O=C(C[C@H]1CC[NH2+]C1)N(CCn1ccnc1)Cc1ccccc1Br ZINC000646557890 565607952 /nfs/dbraw/zinc/60/79/52/565607952.db2.gz BGXKWIMPZJRHEQ-OAHLLOKOSA-N 1 0 391.313 2.674 20 0 GFADRO COCCO[C@@H]1CCCN([C@H]2CCc3cc(Br)ccc3NC2=O)C1 ZINC000625272788 565614754 /nfs/dbraw/zinc/61/47/54/565614754.db2.gz VJFNVWYWTVAUMP-WBVHZDCISA-N 1 0 397.313 2.830 20 0 GFADRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)c2cc(Br)cc3[nH]c(=O)[nH]c32)C1 ZINC000646781061 565618976 /nfs/dbraw/zinc/61/89/76/565618976.db2.gz WNNOLNXDYDBHCQ-NSHDSACASA-N 1 0 395.301 2.881 20 0 GFADRO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)[C@H]1[C@@H]2c3cccc(Br)c3C[C@H]12 ZINC000625379301 565624612 /nfs/dbraw/zinc/62/46/12/565624612.db2.gz APMFEULWPFJJHR-UOAMXJAYSA-N 1 0 375.310 2.935 20 0 GFADRO Cc1cc(C(=O)N2CC[C@H]3C[N@@H+](C)C[C@H]32)nn1-c1ccc(Br)cc1 ZINC000646924159 565626842 /nfs/dbraw/zinc/62/68/42/565626842.db2.gz CFSRWSQPCXIGMA-SUMWQHHRSA-N 1 0 389.297 2.719 20 0 GFADRO C[C@@]1(CNC(=O)c2cc(=O)[nH]c3ccc(Br)cc32)CCC[NH2+]C1 ZINC000646965953 565629670 /nfs/dbraw/zinc/62/96/70/565629670.db2.gz IADCARANMMXDHX-QGZVFWFLSA-N 1 0 378.270 2.822 20 0 GFADRO [NH3+][C@@]12CCC[C@H]1CN(C(=O)c1ccc(I)c(Cl)c1)C2 ZINC000598668516 565632790 /nfs/dbraw/zinc/63/27/90/565632790.db2.gz WCWUFUZVEINIDL-IINYFYTJSA-N 1 0 390.652 2.898 20 0 GFADRO COC(=O)[C@H](NC(=O)CC[C@@H]1CCC[NH2+]C1)c1ccc(Br)cc1 ZINC000598663256 565632987 /nfs/dbraw/zinc/63/29/87/565632987.db2.gz BVJOEGAEUKKNTJ-BLLLJJGKSA-N 1 0 383.286 2.559 20 0 GFADRO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)c1cc(-c2ccc(Br)cc2)n[nH]1 ZINC000647033821 565633229 /nfs/dbraw/zinc/63/32/29/565633229.db2.gz CKWVMCOOLIVPHJ-STQMWFEESA-N 1 0 381.249 2.611 20 0 GFADRO COC(=O)[C@@H]1C[N@H+](Cc2nccnc2C)C[C@H]1c1ccc(Br)cc1 ZINC000598674998 565633832 /nfs/dbraw/zinc/63/38/32/565633832.db2.gz BUVHBSUFHWMGBG-JKSUJKDBSA-N 1 0 390.281 2.936 20 0 GFADRO [NH3+][C@]12CCC[C@@H]1CN(C(=O)c1cc(Cl)ccc1I)C2 ZINC000598669617 565634026 /nfs/dbraw/zinc/63/40/26/565634026.db2.gz KBUHHAGVUWFIQB-OTYXRUKQSA-N 1 0 390.652 2.898 20 0 GFADRO C[C@H](CC(=O)Nc1ccc2c(c1)C[NH2+]CCO2)n1cc(Br)cn1 ZINC000647050007 565634233 /nfs/dbraw/zinc/63/42/33/565634233.db2.gz HFRGOGOTRXBZFW-LLVKDONJSA-N 1 0 379.258 2.717 20 0 GFADRO [NH3+]C[C@H](NC(=O)c1cc(=O)[nH]c2ccc(Br)cc21)C1CCCC1 ZINC000647084325 565636459 /nfs/dbraw/zinc/63/64/59/565636459.db2.gz JLPUCXXFHHYVOJ-HNNXBMFYSA-N 1 0 378.270 2.950 20 0 GFADRO CCCN(CC[NH+](C)C)C(=O)[C@@H]1CCO[C@H]1c1cncc(Br)c1 ZINC000668301919 565638741 /nfs/dbraw/zinc/63/87/41/565638741.db2.gz WFKHWPOGSCKYHJ-CVEARBPZSA-N 1 0 384.318 2.722 20 0 GFADRO CS(=O)(=O)Nc1cc(-c2nc([C@H]3CCC[NH2+]3)no2)cc(C(F)(F)F)c1 ZINC000647146518 565641537 /nfs/dbraw/zinc/64/15/37/565641537.db2.gz XLZFVCCERKXWFW-LLVKDONJSA-N 1 0 376.360 2.551 20 0 GFADRO COc1ccccc1[C@H]([NH3+])CNS(=O)(=O)c1cc(Br)ccc1C ZINC000647186433 565644393 /nfs/dbraw/zinc/64/43/93/565644393.db2.gz MJWKCAATTFHCJH-CQSZACIVSA-N 1 0 399.310 2.744 20 0 GFADRO CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N[C@@H](C)c2cc(F)c(Cl)cc2Cl)C1 ZINC000668371079 565645060 /nfs/dbraw/zinc/64/50/60/565645060.db2.gz JFXBZWIQQPZGTN-WDEREUQCSA-N 1 0 390.286 2.910 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)C(=O)NCCSc2ccc(Cl)cc2)C1 ZINC000668391550 565645972 /nfs/dbraw/zinc/64/59/72/565645972.db2.gz RKSHYHPPRRDVBA-AWEZNQCLSA-N 1 0 383.945 2.537 20 0 GFADRO Cn1cnc(CCC[NH2+]Cc2nc(-c3cccc(Br)c3)c[nH]2)n1 ZINC000647231241 565646657 /nfs/dbraw/zinc/64/66/57/565646657.db2.gz OECRKZGXLHQCFO-UHFFFAOYSA-N 1 0 375.274 2.690 20 0 GFADRO CC(C)Cn1nccc1CNc1cc(N2CCOCC2)c(Br)c[nH+]1 ZINC000647216333 565646777 /nfs/dbraw/zinc/64/67/77/565646777.db2.gz DEQOTYZDSXMNHG-UHFFFAOYSA-N 1 0 394.317 3.145 20 0 GFADRO COC[C@@H](CC[NH2+]Cc1cc(Br)cc(Br)c1N)OC ZINC000668450263 565646796 /nfs/dbraw/zinc/64/67/96/565646796.db2.gz UDQCXYHMSDJBQT-LLVKDONJSA-N 1 0 396.123 2.935 20 0 GFADRO CC1(C)C[NH2+]CCN1S(=O)(=O)c1cc(Cl)c(Br)cc1F ZINC000647228659 565647157 /nfs/dbraw/zinc/64/71/57/565647157.db2.gz LCJMGZIOBWVQGX-UHFFFAOYSA-N 1 0 385.686 2.614 20 0 GFADRO O=S(=O)(Cc1ccc(Br)cc1Cl)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000647264731 565650320 /nfs/dbraw/zinc/65/03/20/565650320.db2.gz PBEDKNQTMMHNFT-YGRLFVJLSA-N 1 0 393.734 2.616 20 0 GFADRO CC[NH+](CC)[C@H](CNC(=O)C(=O)N[C@@H](C)c1cscn1)c1ccsc1 ZINC000668491465 565650452 /nfs/dbraw/zinc/65/04/52/565650452.db2.gz LWZTYZUVHNTLLM-SWLSCSKDSA-N 1 0 380.539 2.581 20 0 GFADRO CC[C@@H]1CN(S(=O)(=O)c2cc(Br)c(F)cc2C)CC[C@H]1[NH3+] ZINC000647269383 565651661 /nfs/dbraw/zinc/65/16/61/565651661.db2.gz RLYKJSWLDJYZFW-ZWNOBZJWSA-N 1 0 379.295 2.645 20 0 GFADRO O[C@H](C[NH2+]Cc1cc(Cl)ccc1I)[C@H]1CCCO1 ZINC000598991055 565653172 /nfs/dbraw/zinc/65/31/72/565653172.db2.gz TZHWZWMSYDKHBO-CHWSQXEVSA-N 1 0 381.641 2.574 20 0 GFADRO CN(C)C(=O)CN(CC[NH+](C)C)CC1=Cc2cc(Cl)cc(Cl)c2OC1 ZINC000668558952 565653836 /nfs/dbraw/zinc/65/38/36/565653836.db2.gz WLDILIGCDJUFMZ-UHFFFAOYSA-N 1 0 386.323 2.721 20 0 GFADRO O[C@H](Cn1cccn1)C[N@@H+]1CC[C@@H](Sc2ccc(Br)cc2)C1 ZINC000625706305 565655266 /nfs/dbraw/zinc/65/52/66/565655266.db2.gz ZQQMCHFXOCMZSH-GOEBONIOSA-N 1 0 382.327 2.873 20 0 GFADRO O=S(=O)(c1cccc(Br)c1)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647306815 565655785 /nfs/dbraw/zinc/65/57/85/565655785.db2.gz JYJCOCHIFVGIRN-KBPBESRZSA-N 1 0 387.343 2.849 20 0 GFADRO C[C@H](CCc1ccc(I)cc1)[NH2+]C[C@H](O)[C@@H]1CCCO1 ZINC000599065440 565655924 /nfs/dbraw/zinc/65/59/24/565655924.db2.gz LKUXFNXTDHJMMS-KCXAZCMYSA-N 1 0 389.277 2.742 20 0 GFADRO [NH3+][C@@H]1CCC[C@H](CNS(=O)(=O)c2ccc(Br)c(Cl)c2)C1 ZINC000647316511 565656469 /nfs/dbraw/zinc/65/64/69/565656469.db2.gz NQTIVPHPYSFUSK-VHSXEESVSA-N 1 0 381.723 2.898 20 0 GFADRO COC[C@H](C)OC[C@H](O)C[NH2+][C@@H](C)c1cc(F)c(Br)cc1F ZINC000625749903 565656754 /nfs/dbraw/zinc/65/67/54/565656754.db2.gz AVMDMYBSZDDPIB-GARJFASQSA-N 1 0 382.245 2.790 20 0 GFADRO Cc1cc(Br)cc(C)c1S(=O)(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000647321292 565656838 /nfs/dbraw/zinc/65/68/38/565656838.db2.gz HJCRWWJCBWQENV-AWEZNQCLSA-N 1 0 375.332 2.876 20 0 GFADRO Cc1cc(Br)cc(C(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)c1C ZINC000668639631 565658099 /nfs/dbraw/zinc/65/80/99/565658099.db2.gz KARLTMZRRZASIX-INIZCTEOSA-N 1 0 394.357 2.964 20 0 GFADRO CCCC[N@H+](C)CCNC(=O)[C@@H]1CCO[C@H]1c1cncc(Br)c1 ZINC000668639284 565658398 /nfs/dbraw/zinc/65/83/98/565658398.db2.gz VJPPHURGOXVRGU-CVEARBPZSA-N 1 0 384.318 2.770 20 0 GFADRO CN(Cc1cc(Br)cs1)C(=O)C[N@H+](CCO)CC(C)(C)C ZINC000599162498 565658891 /nfs/dbraw/zinc/65/88/91/565658891.db2.gz KXMVKODVWRAXNQ-UHFFFAOYSA-N 1 0 377.348 2.809 20 0 GFADRO O=C(CC[NH2+][C@]1(CO)CCc2cc(Br)ccc2C1)N1CCCCC1 ZINC000625794431 565658986 /nfs/dbraw/zinc/65/89/86/565658986.db2.gz JGKHRJAQKOWQHN-LJQANCHMSA-N 1 0 395.341 2.661 20 0 GFADRO CCCCNC(=O)CC[NH2+][C@]1(CO)CCc2cc(Br)ccc2C1 ZINC000625795619 565660336 /nfs/dbraw/zinc/66/03/36/565660336.db2.gz XQUZYQLMIQFACB-GOSISDBHSA-N 1 0 383.330 2.565 20 0 GFADRO Cc1cc(C[NH2+][C@@]2(CO)CCc3cc(Br)ccc3C2)nc(C)n1 ZINC000625795891 565660584 /nfs/dbraw/zinc/66/05/84/565660584.db2.gz AQSUSGSSDPNNIV-SFHVURJKSA-N 1 0 376.298 2.866 20 0 GFADRO CCn1cc(CC[NH2+][C@@]2(CO)CCc3cc(Br)ccc3C2)cn1 ZINC000625797328 565660820 /nfs/dbraw/zinc/66/08/20/565660820.db2.gz TWIAPYDQKKOPOT-SFHVURJKSA-N 1 0 378.314 2.718 20 0 GFADRO CC(C)n1ncnc1C[NH2+][C@]1(CO)CCc2cc(Br)ccc2C1 ZINC000625796762 565660895 /nfs/dbraw/zinc/66/08/95/565660895.db2.gz MAYQSNCKXOMEOW-QGZVFWFLSA-N 1 0 379.302 2.631 20 0 GFADRO C[C@@H]1CCCN1C(=O)CC[NH2+][C@]1(CO)CCc2cc(Br)ccc2C1 ZINC000625795683 565661019 /nfs/dbraw/zinc/66/10/19/565661019.db2.gz ZXWBMRKJXZOQFH-AUUYWEPGSA-N 1 0 395.341 2.660 20 0 GFADRO CC[C@@H]1CN(Cc2ccc(Br)cc2N2CCOCC2)CC[C@H]1[NH3+] ZINC000647497372 565661795 /nfs/dbraw/zinc/66/17/95/565661795.db2.gz FETHAAYKHYUAKC-RHSMWYFYSA-N 1 0 382.346 2.845 20 0 GFADRO COc1cc(NC(=O)CC[NH2+][C@H](C)[C@@H](O)C(F)(F)F)c(OC)cc1Cl ZINC000647515015 565662987 /nfs/dbraw/zinc/66/29/87/565662987.db2.gz LMSQEDBTEPTFBG-XLKFXECMSA-N 1 0 384.782 2.587 20 0 GFADRO CCOc1c(Br)cc(C[N@H+](C)C2(CO)CCOCC2)cc1OC ZINC000668805754 565667817 /nfs/dbraw/zinc/66/78/17/565667817.db2.gz KOUHTJOSYYCTCM-UHFFFAOYSA-N 1 0 388.302 2.830 20 0 GFADRO CN(C)C[C@H]([NH2+]C[C@@H](O)COC[C@@H]1CCCO1)c1ccc(Cl)c(Cl)c1 ZINC000625983731 565668017 /nfs/dbraw/zinc/66/80/17/565668017.db2.gz YYZDKXIGKBKKRO-VKJFTORMSA-N 1 0 391.339 2.742 20 0 GFADRO C[NH+](C)[C@]1(CNC(=O)[C@H]2CCCN2Cc2ccc(Cl)cc2)CCSC1 ZINC000625985542 565668628 /nfs/dbraw/zinc/66/86/28/565668628.db2.gz SNQCGBJBCNLLAJ-MJGOQNOKSA-N 1 0 381.973 2.858 20 0 GFADRO C[N@@H+]1CCCC[C@@H]1C(=O)N1CCN(Cc2ccc(Br)s2)CC1 ZINC000599299279 565668959 /nfs/dbraw/zinc/66/89/59/565668959.db2.gz JDARNWTZXLMZPM-CQSZACIVSA-N 1 0 386.359 2.639 20 0 GFADRO Oc1cccc2c1CC[N@@H+](C[C@@H](O)COc1ccc(Br)cc1)C2 ZINC000626025275 565671180 /nfs/dbraw/zinc/67/11/80/565671180.db2.gz PPJWEORWCFTCLU-OAHLLOKOSA-N 1 0 378.266 2.953 20 0 GFADRO CCO[C@H](CC[NH+](C)C)CNC(=O)[C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21 ZINC000626040792 565671992 /nfs/dbraw/zinc/67/19/92/565671992.db2.gz MAUDRYXCCTXSGH-ZYRRHWMLSA-N 1 0 395.341 2.808 20 0 GFADRO CCOC(=O)[C@H](C)[C@H](C)[NH2+][C@H]1CCc2cc(Br)ccc2NC1=O ZINC000599361827 565672695 /nfs/dbraw/zinc/67/26/95/565672695.db2.gz DZZXLEXGKQARKJ-ZETOZRRWSA-N 1 0 383.286 2.880 20 0 GFADRO C[NH+]1CCC2(CCN(C(=O)[C@H]3COc4ccc(Br)cc43)C2)CC1 ZINC000647723463 565673327 /nfs/dbraw/zinc/67/33/27/565673327.db2.gz GFJPOBBKKNHMDX-HNNXBMFYSA-N 1 0 379.298 2.869 20 0 GFADRO O=C(NCc1c[nH]cn1)[C@@H](NCC(F)(F)F)c1cc(Br)cs1 ZINC000668996178 565674149 /nfs/dbraw/zinc/67/41/49/565674149.db2.gz WCJOKQVPMFFUHP-JTQLQIEISA-N 1 0 397.220 2.743 20 0 GFADRO Cc1nc(-c2ccc(Cl)s2)sc1C(=O)N(C)CCN1CC[NH2+]CC1 ZINC000647776241 565675731 /nfs/dbraw/zinc/67/57/31/565675731.db2.gz YBAWXPWCTBHYDV-UHFFFAOYSA-N 1 0 384.958 2.811 20 0 GFADRO O=C(C[N@@H+]1CCCC2(CC2)CC1)NCC(=O)Nc1ccccc1Br ZINC000626114710 565676506 /nfs/dbraw/zinc/67/65/06/565676506.db2.gz PWDSGONIJFPXTI-UHFFFAOYSA-N 1 0 394.313 2.770 20 0 GFADRO CN(Cc1ccccc1Br)C(=O)CN(C1CC1)C1CC[NH2+]CC1 ZINC000647814576 565677825 /nfs/dbraw/zinc/67/78/25/565677825.db2.gz ULLBNTZPFYSSKJ-UHFFFAOYSA-N 1 0 380.330 2.624 20 0 GFADRO C[C@H]1C[C@H](N(C)C(=O)c2cc(Br)cc3c2OCCO3)CC[N@@H+]1C ZINC000669125234 565678518 /nfs/dbraw/zinc/67/85/18/565678518.db2.gz CZNAKQGYYRMLEB-WCQYABFASA-N 1 0 383.286 2.775 20 0 GFADRO CNS(=O)(=O)C[C@H]1CCC[N@H+](CCOc2cc(Cl)cc(Cl)c2)C1 ZINC000626167917 565680578 /nfs/dbraw/zinc/68/05/78/565680578.db2.gz GGXGMINIOWCDDM-LBPRGKRZSA-N 1 0 381.325 2.633 20 0 GFADRO CCN(CC(=O)Nc1c(Cl)cccc1Cl)C[C@H](O)C[N@H+](C)C(C)C ZINC000647956558 565685188 /nfs/dbraw/zinc/68/51/88/565685188.db2.gz ZGOZYSWQYXKYHX-CYBMUJFWSA-N 1 0 376.328 2.955 20 0 GFADRO NC(=O)[C@H](c1ccc(Br)cc1F)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647977562 565686174 /nfs/dbraw/zinc/68/61/74/565686174.db2.gz DPMVPHUPACGOAJ-DCGLDWPTSA-N 1 0 398.320 2.826 20 0 GFADRO O=C([C@H]1C[NH2+]CCC1(F)F)N1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000648016882 565687083 /nfs/dbraw/zinc/68/70/83/565687083.db2.gz KXSAMVOCZGCISY-KGLIPLIRSA-N 1 0 389.240 2.594 20 0 GFADRO CN(C(=O)COC1(C)C[NH2+]C1)[C@@H]1CCSc2ccc(Br)cc21 ZINC000648067696 565689538 /nfs/dbraw/zinc/68/95/38/565689538.db2.gz TWXUGCVNXJJEBI-CYBMUJFWSA-N 1 0 385.327 2.823 20 0 GFADRO CCCS(=O)(=O)Nc1cc(NC(=O)[C@@H]2CCCCC[NH2+]2)c(F)cc1F ZINC000648054081 565689793 /nfs/dbraw/zinc/68/97/93/565689793.db2.gz PWCLQXCTEXZYTN-ZDUSSCGKSA-N 1 0 375.441 2.587 20 0 GFADRO O=C(NCCCc1ccc(Br)cc1F)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000669487272 565690628 /nfs/dbraw/zinc/69/06/28/565690628.db2.gz QCWSJMUXUHICAV-BBRMVZONSA-N 1 0 384.293 2.914 20 0 GFADRO COCC1(CNC(=O)c2cc3c(cncc3Br)s2)CC[NH2+]CC1 ZINC000648133059 565690880 /nfs/dbraw/zinc/69/08/80/565690880.db2.gz XXZZSBAJSPEAML-UHFFFAOYSA-N 1 0 398.326 2.805 20 0 GFADRO O=C(N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000669553679 565692203 /nfs/dbraw/zinc/69/22/03/565692203.db2.gz OWCZEJJNEAPHLZ-OGHNNQOOSA-N 1 0 383.323 2.966 20 0 GFADRO O=C(NCCc1c[nH]c2ccc(Br)cc12)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000669557244 565692367 /nfs/dbraw/zinc/69/23/67/565692367.db2.gz ABHUFTBXADXOIK-UONOGXRCSA-N 1 0 391.313 2.724 20 0 GFADRO [NH3+]C/C=C\CNC(=O)NCCOc1c(Cl)cc(Br)cc1Cl ZINC000669552929 565692611 /nfs/dbraw/zinc/69/26/11/565692611.db2.gz MJRXKURANZASDQ-UPHRSURJSA-N 1 0 397.100 2.949 20 0 GFADRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)Nc1cc(C(=O)OC)c(F)cc1Br ZINC000599607883 565692694 /nfs/dbraw/zinc/69/26/94/565692694.db2.gz BYRCAFMYTIJCCA-NWDGAFQWSA-N 1 0 388.237 2.637 20 0 GFADRO COC(=O)c1cc(NC(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)c(Br)cc1F ZINC000599608242 565692861 /nfs/dbraw/zinc/69/28/61/565692861.db2.gz NCHMPIVSZZKEBP-DTWKUNHWSA-N 1 0 388.237 2.637 20 0 GFADRO CC(C)[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000648187645 565693114 /nfs/dbraw/zinc/69/31/14/565693114.db2.gz VKFQJHXTLRSQOC-IUODEOHRSA-N 1 0 383.945 2.947 20 0 GFADRO CC[C@H](NC(=O)N1CCO[C@H]([C@H](C)[NH3+])C1)c1cc(F)cc(Br)c1 ZINC000669565403 565693101 /nfs/dbraw/zinc/69/31/01/565693101.db2.gz OLJOLWOVRQPGLE-LKTVYLICSA-N 1 0 388.281 2.797 20 0 GFADRO C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N[C@H]1CC[NH2+]C12CCCC2 ZINC000648208108 565693391 /nfs/dbraw/zinc/69/33/91/565693391.db2.gz WBZYPVKOYALNQN-FZMZJTMJSA-N 1 0 384.307 2.903 20 0 GFADRO CCCN(C(=O)N[C@@H]1COc2cc(F)c(Br)cc21)[C@H]1CC[NH2+]C1 ZINC000669581100 565694395 /nfs/dbraw/zinc/69/43/95/565694395.db2.gz MBKPSWJXPZPIFZ-IINYFYTJSA-N 1 0 386.265 2.805 20 0 GFADRO COc1cc(C(=O)NC(C)(C)CC[NH+]2CCN(C)CC2)ccc1Br ZINC000626496095 565696010 /nfs/dbraw/zinc/69/60/10/565696010.db2.gz FUGKZUKYGLIWOR-UHFFFAOYSA-N 1 0 398.345 2.604 20 0 GFADRO Cn1nc2cc(Br)ccc2c1C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000648244632 565696600 /nfs/dbraw/zinc/69/66/00/565696600.db2.gz SEEDKOKRULDJFU-HIFRSBDPSA-N 1 0 377.286 2.692 20 0 GFADRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1c2ccc(Br)cc2nn1C ZINC000648299213 565701601 /nfs/dbraw/zinc/70/16/01/565701601.db2.gz HUICDUINUANVOV-ABAIWWIYSA-N 1 0 379.302 2.748 20 0 GFADRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)c1ccsc1 ZINC000669828064 565703466 /nfs/dbraw/zinc/70/34/66/565703466.db2.gz BAZIDQZSWDTCGP-OLZOCXBDSA-N 1 0 381.523 2.676 20 0 GFADRO C[NH+](C)CCOCCNC(=O)Nc1cc(Cl)c(Br)cc1F ZINC000626665886 565707106 /nfs/dbraw/zinc/70/71/06/565707106.db2.gz FITWLXFKEFWHLL-UHFFFAOYSA-N 1 0 382.661 2.941 20 0 GFADRO CC[NH+](CC)CC[C@H](CO)NC(=O)c1ccc(Br)c(F)c1F ZINC000626810884 565711945 /nfs/dbraw/zinc/71/19/45/565711945.db2.gz REWAZMYMZBNIBP-SNVBAGLBSA-N 1 0 379.245 2.550 20 0 GFADRO CC(C)(C[NH2+]C1CC(c2ccc(Br)cc2F)C1)NS(C)(=O)=O ZINC000648445479 565714294 /nfs/dbraw/zinc/71/42/94/565714294.db2.gz MOAWFHJXPCVPGF-UHFFFAOYSA-N 1 0 393.322 2.752 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)NCCOc2ccc(Cl)cc2)CC[C@H]1C(F)(F)F ZINC000626924052 565715064 /nfs/dbraw/zinc/71/50/64/565715064.db2.gz DUVLFZPUVMHTNE-SMDDNHRTSA-N 1 0 379.810 2.888 20 0 GFADRO Cc1sc(CNC(=O)NCCOCCC[NH3+])nc1-c1ccc(Cl)cc1 ZINC000626946947 565716048 /nfs/dbraw/zinc/71/60/48/565716048.db2.gz GDKYJUBNCWONGT-UHFFFAOYSA-N 1 0 382.917 2.937 20 0 GFADRO O=S1(=O)CCC(C[NH2+]Cc2ccnc3c(Br)cccc23)CC1 ZINC000648488950 565716182 /nfs/dbraw/zinc/71/61/82/565716182.db2.gz LWHQPPAFEQNZOE-UHFFFAOYSA-N 1 0 383.311 2.912 20 0 GFADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[N@@H+]1CCC[C@@H](OC)CC1 ZINC000648512638 565716898 /nfs/dbraw/zinc/71/68/98/565716898.db2.gz XBKJAPILOOOZNF-CZUORRHYSA-N 1 0 399.329 2.963 20 0 GFADRO COc1ccc(Br)cc1CNC(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000626958722 565717123 /nfs/dbraw/zinc/71/71/23/565717123.db2.gz SIMYGBROVATNLX-CALCHBBNSA-N 1 0 382.302 2.599 20 0 GFADRO C[C@@H](CNC(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)Oc1cccc(Br)c1 ZINC000626990062 565717718 /nfs/dbraw/zinc/71/77/18/565717718.db2.gz QQSOAORRXJSKOG-DOPJRALCSA-N 1 0 396.329 2.857 20 0 GFADRO [NH3+]CCCOCCNC(=O)NCCOc1c(Cl)cc(Cl)cc1Cl ZINC000626995421 565718205 /nfs/dbraw/zinc/71/82/05/565718205.db2.gz UKJJEFBKNGOGTJ-UHFFFAOYSA-N 1 0 384.691 2.690 20 0 GFADRO CO[C@H](C)c1nc(CNC(=O)N2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)cs1 ZINC000626996178 565718771 /nfs/dbraw/zinc/71/87/71/565718771.db2.gz KFVUESXHQOWUJA-JFGNBEQYSA-N 1 0 380.436 2.519 20 0 GFADRO C[NH2+]CCOCCNC(=O)NCc1ccc(Br)cc1C(F)(F)F ZINC000627005941 565718828 /nfs/dbraw/zinc/71/88/28/565718828.db2.gz ADYMNEVWRCILHD-UHFFFAOYSA-N 1 0 398.223 2.503 20 0 GFADRO [NH3+]CCCOCCNC(=O)N[C@@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000627016377 565719836 /nfs/dbraw/zinc/71/98/36/565719836.db2.gz KUXLRAXFDGYCDM-OAHLLOKOSA-N 1 0 388.281 2.704 20 0 GFADRO O=C(COc1ccccc1Br)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000670392486 565721888 /nfs/dbraw/zinc/72/18/88/565721888.db2.gz BCURPKXPSHTGBS-OAHLLOKOSA-N 1 0 397.313 2.541 20 0 GFADRO CN(Cc1cc(Br)ccc1Cl)C(=O)NCC1([NH3+])CCOCC1 ZINC000627149777 565723442 /nfs/dbraw/zinc/72/34/42/565723442.db2.gz PGTJIDJKCGEMFL-UHFFFAOYSA-N 1 0 390.709 2.752 20 0 GFADRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NC(C)(C)COc1ncc(Cl)cc1Cl ZINC000627164068 565723490 /nfs/dbraw/zinc/72/34/90/565723490.db2.gz DXQBLJDQJLOCAE-QWHCGFSZSA-N 1 0 375.300 2.986 20 0 GFADRO CCC[NH+]1CCC(NC(=O)c2c3ccc(Br)cc3nn2C)CC1 ZINC000648717593 565723491 /nfs/dbraw/zinc/72/34/91/565723491.db2.gz GWXCOGPZQJNUNI-UHFFFAOYSA-N 1 0 379.302 2.940 20 0 GFADRO C[N@@H+]1CCCC[C@@H](CNC(=O)Cc2cccc(I)c2)C1 ZINC000600311344 565723577 /nfs/dbraw/zinc/72/35/77/565723577.db2.gz AWAFRPVHCMZXRM-AWEZNQCLSA-N 1 0 386.277 2.682 20 0 GFADRO Cn1nc2cc(Br)ccc2c1C(=O)NCC[NH+]1CCCCCC1 ZINC000648730541 565725131 /nfs/dbraw/zinc/72/51/31/565725131.db2.gz GSLQODQPOWDUSG-UHFFFAOYSA-N 1 0 379.302 2.942 20 0 GFADRO C[NH2+]CCOCCNC(=O)N1CCC(c2ccc(Br)c(C)c2)CC1 ZINC000627174196 565725326 /nfs/dbraw/zinc/72/53/26/565725326.db2.gz MQQUZJZHDAVXKE-UHFFFAOYSA-N 1 0 398.345 2.883 20 0 GFADRO CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)NCCc2ccc(Cl)cc2Cl)C1 ZINC000670496656 565726190 /nfs/dbraw/zinc/72/61/90/565726190.db2.gz WKASZTMDQGCKPI-ZDUSSCGKSA-N 1 0 386.323 2.500 20 0 GFADRO CC(C)C[C@](C)(NC(=O)NC[C@@H]1COCC[NH2+]1)c1cccc(Br)c1 ZINC000627189629 565726263 /nfs/dbraw/zinc/72/62/63/565726263.db2.gz WNBZEXYDDKDHKN-AEFFLSMTSA-N 1 0 398.345 2.998 20 0 GFADRO C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1cc2c(cncc2Br)s1 ZINC000648770636 565726933 /nfs/dbraw/zinc/72/69/33/565726933.db2.gz UNANAAQARUOPRH-UHFFFAOYSA-N 1 0 399.358 2.624 20 0 GFADRO O=C(c1cc(Br)cc2ccccc21)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000627258077 565728514 /nfs/dbraw/zinc/72/85/14/565728514.db2.gz UAHVYJBHCYICJN-CVEARBPZSA-N 1 0 389.293 2.883 20 0 GFADRO Cc1cc(Br)c(C(=O)N2CC[C@H]([N@@H+]3CC[C@@H](O)C3)C2)cc1Cl ZINC000627267030 565729841 /nfs/dbraw/zinc/72/98/41/565729841.db2.gz ITAQRJQSWZEEFH-NWDGAFQWSA-N 1 0 387.705 2.692 20 0 GFADRO CCc1nn(C)cc1C[NH2+]C[C@@H](CO)Cc1cc(Br)ccc1F ZINC000648787346 565730050 /nfs/dbraw/zinc/73/00/50/565730050.db2.gz BIYXARRAIYDKFM-LBPRGKRZSA-N 1 0 384.293 2.825 20 0 GFADRO Cn1nc2cc(Br)ccc2c1C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000648808618 565730750 /nfs/dbraw/zinc/73/07/50/565730750.db2.gz BIRCFTQHNFOVBG-INIZCTEOSA-N 1 0 397.342 2.503 20 0 GFADRO C[C@H](NC(=O)C(=O)N[C@@H]1CC[NH2+]C12CCC2)c1cc(F)c(Cl)cc1Cl ZINC000627292032 565731872 /nfs/dbraw/zinc/73/18/72/565731872.db2.gz KFMGWCAZRSAMCT-LKFCYVNXSA-N 1 0 388.270 2.711 20 0 GFADRO CCc1nn(C)cc1C[NH2+]C[C@@H](CO)Cc1cccc(Br)c1C ZINC000648815205 565732325 /nfs/dbraw/zinc/73/23/25/565732325.db2.gz GEQMDXWLWDHBOS-AWEZNQCLSA-N 1 0 380.330 2.994 20 0 GFADRO Cn1nc2cc(Br)ccc2c1C(=O)N1CC[C@H]2CC[N@H+](C)C[C@H]21 ZINC000648856207 565734067 /nfs/dbraw/zinc/73/40/67/565734067.db2.gz YBOAABKZGTXOEF-IAQYHMDHSA-N 1 0 377.286 2.502 20 0 GFADRO CN(C(=O)c1ccc2c[nH+]cn2c1)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000670812059 565738397 /nfs/dbraw/zinc/73/83/97/565738397.db2.gz CILWVOFVRXANSM-OAHLLOKOSA-N 1 0 375.837 2.588 20 0 GFADRO Cc1cc(Br)c(F)c(C(=O)N2CCOC[C@H]2[C@@H]2CCC[N@H+]2C)c1 ZINC000627518782 565739395 /nfs/dbraw/zinc/73/93/95/565739395.db2.gz UKXIBHMUOGGJIF-GJZGRUSLSA-N 1 0 385.277 2.832 20 0 GFADRO C[C@@H](NC(=O)[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)c1ncc(Br)cn1 ZINC000627518207 565739441 /nfs/dbraw/zinc/73/94/41/565739441.db2.gz ZGZHHEYKKKOEHV-UHOFOFEASA-N 1 0 389.297 2.762 20 0 GFADRO Cc1cc(C)c(C(=O)NC[C@@H]2CCCC[N@@H+]2CCO)c(C)c1Br ZINC000627574721 565741879 /nfs/dbraw/zinc/74/18/79/565741879.db2.gz ORLZUHSDKMECJH-HNNXBMFYSA-N 1 0 383.330 2.951 20 0 GFADRO CC(C)c1n[nH]c(C(=O)N2CCC([N@@H+]3CCCOCC3)CC2)c1Br ZINC000627739674 565749821 /nfs/dbraw/zinc/74/98/21/565749821.db2.gz MGFWGDLVZFZPNH-UHFFFAOYSA-N 1 0 399.333 2.623 20 0 GFADRO Cc1ccc(F)c(C(=O)N2CCOC3(CC[NH+](C)CC3)C2)c1Br ZINC000649129553 565749852 /nfs/dbraw/zinc/74/98/52/565749852.db2.gz AUTSUCXYVYLTGZ-UHFFFAOYSA-N 1 0 385.277 2.833 20 0 GFADRO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000671100747 565751649 /nfs/dbraw/zinc/75/16/49/565751649.db2.gz QCLMFQODUUVTGU-JKSUJKDBSA-N 1 0 384.307 2.695 20 0 GFADRO Cc1c(Br)cccc1NC(=O)C(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000627906267 565761854 /nfs/dbraw/zinc/76/18/54/565761854.db2.gz OWMXJFBCVJAMIR-AWEZNQCLSA-N 1 0 394.313 2.829 20 0 GFADRO O=C1[C@H]2CSCCN2C(=O)N1c1ccc(SCC[NH+]2CCCC2)cc1 ZINC000649519560 565764028 /nfs/dbraw/zinc/76/40/28/565764028.db2.gz HQBKMWXMIMYSQE-MRXNPFEDSA-N 1 0 377.535 2.759 20 0 GFADRO COC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+][C@H](C)c1csc(-c2csc(C)n2)c1 ZINC000601294527 565774723 /nfs/dbraw/zinc/77/47/23/565774723.db2.gz RNBUGWHHPOMIES-VWYCJHECSA-N 1 0 381.523 2.897 20 0 GFADRO Cc1ncc(C[NH+]2CCC(C(=O)Nc3ccc(Br)cn3)CC2)o1 ZINC000628143900 565776222 /nfs/dbraw/zinc/77/62/22/565776222.db2.gz GCUUFYCTNCAJOV-UHFFFAOYSA-N 1 0 379.258 2.991 20 0 GFADRO COC(=O)c1sc2ccccc2c1S(=O)(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000601344885 565776534 /nfs/dbraw/zinc/77/65/34/565776534.db2.gz HRLPHGSQIWVSKN-GFCCVEGCSA-N 1 0 382.507 2.580 20 0 GFADRO Cc1cc(CN2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)ncc1Br ZINC000628186351 565779113 /nfs/dbraw/zinc/77/91/13/565779113.db2.gz HGPUJFDWFBECJN-CRAIPNDOSA-N 1 0 381.362 2.610 20 0 GFADRO C[C@@H](CO)C1CC[NH+](CC(=O)N[C@@H](C)c2ccc(Br)cc2)CC1 ZINC000649804794 565779162 /nfs/dbraw/zinc/77/91/62/565779162.db2.gz ILWOHQBLCHTVOT-KBPBESRZSA-N 1 0 383.330 2.967 20 0 GFADRO Brc1ccc(-c2n[nH]cc2C[N@@H+]2CC[C@H](n3cncn3)C2)s1 ZINC000628241468 565780166 /nfs/dbraw/zinc/78/01/66/565780166.db2.gz WUZLCADIAFFFEW-NSHDSACASA-N 1 0 379.287 2.939 20 0 GFADRO CS(=O)(=O)CCCC[NH2+][C@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1 ZINC000671735657 565783637 /nfs/dbraw/zinc/78/36/37/565783637.db2.gz NVMHTRLVZHEHIB-INIZCTEOSA-N 1 0 379.444 2.821 20 0 GFADRO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)Nc1ccc(Cl)cc1I ZINC000601557464 565791327 /nfs/dbraw/zinc/79/13/27/565791327.db2.gz BEAMISZUYCMWSD-VXNVDRBHSA-N 1 0 379.629 2.898 20 0 GFADRO C[C@@H]1C[C@H]([NH3+])CN1C(=O)Nc1ccc(I)cc1Cl ZINC000601568805 565792191 /nfs/dbraw/zinc/79/21/91/565792191.db2.gz VKBHPGSOTWVRSQ-APPZFPTMSA-N 1 0 379.629 2.898 20 0 GFADRO CC(C)Oc1ccnc(CS(=O)(=O)Cc2nccn2CC(F)(F)F)c1 ZINC000650181194 565803297 /nfs/dbraw/zinc/80/32/97/565803297.db2.gz ZFOHDASXAHYTQQ-UHFFFAOYSA-N 1 0 377.388 2.743 20 0 GFADRO Cc1ccc(Br)c(S(=O)(=O)NCC[NH2+][C@@H]2CC[C@H]2C2CC2)c1 ZINC000672614238 565813184 /nfs/dbraw/zinc/81/31/84/565813184.db2.gz BHPASYZANRXNAZ-DZGCQCFKSA-N 1 0 387.343 2.814 20 0 GFADRO Cc1nc(CSc2ccc(C(=O)NCC[N@@H+]3CC[C@@H](O)C3)cc2)cs1 ZINC000629177939 565828059 /nfs/dbraw/zinc/82/80/59/565828059.db2.gz XUQXYROTAYDXHQ-MRXNPFEDSA-N 1 0 377.535 2.540 20 0 GFADRO O=C(CCCc1cccc(Br)c1)NC[C@H]1CCCC[N@H+]1CCO ZINC000650595019 565828414 /nfs/dbraw/zinc/82/84/14/565828414.db2.gz PJYIESQCSIEOLH-QGZVFWFLSA-N 1 0 383.330 2.735 20 0 GFADRO C[NH+](C)C[C@H](NC(=O)CCn1cc(Br)cn1)c1ccc(F)cc1 ZINC000673309865 565831709 /nfs/dbraw/zinc/83/17/09/565831709.db2.gz RQTKXCXJLNATKB-HNNXBMFYSA-N 1 0 383.265 2.594 20 0 GFADRO COCCN1CCN(C(=O)c2cc3sc(N(C)C)nc3s2)C(C)(C)C1 ZINC000650832525 565837363 /nfs/dbraw/zinc/83/73/63/565837363.db2.gz JUIFPJPAAUAHSI-UHFFFAOYSA-N 1 0 382.555 2.607 20 0 GFADRO O=C(c1csc(-c2ccc(Cl)cc2)n1)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000673511461 565837467 /nfs/dbraw/zinc/83/74/67/565837467.db2.gz ACHRLMGIDTXGGY-CABCVRRESA-N 1 0 377.897 2.745 20 0 GFADRO O=C(c1csc(-c2ccccc2Cl)n1)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000673512268 565837986 /nfs/dbraw/zinc/83/79/86/565837986.db2.gz BQEJCONVSZHENY-CHWSQXEVSA-N 1 0 377.897 2.745 20 0 GFADRO O=C(NC1CC[NH+](Cc2ccncc2)CC1)c1nscc1Br ZINC000651133506 565847503 /nfs/dbraw/zinc/84/75/03/565847503.db2.gz ZKVMJPYWECVYMQ-UHFFFAOYSA-N 1 0 381.299 2.695 20 0 GFADRO C[NH+](C)[C@@H]1[C@H]2CN(S(=O)(=O)c3ccc4ccccc4c3Br)C[C@H]21 ZINC000629354618 565848425 /nfs/dbraw/zinc/84/84/25/565848425.db2.gz VEOBGQUJAHTMSH-HALDLXJZSA-N 1 0 395.322 2.783 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1CNCC1([NH3+])CCOCC1 ZINC000629387734 565849121 /nfs/dbraw/zinc/84/91/21/565849121.db2.gz JRQDBZMATNBKGB-UHFFFAOYSA-N 1 0 379.302 2.541 20 0 GFADRO C[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)C1([S@@](C)=O)CC[NH2+]CC1 ZINC000602447872 565849090 /nfs/dbraw/zinc/84/90/90/565849090.db2.gz BUKVDXPCYHWNJE-BSNNYGBQSA-N 1 0 377.337 2.541 20 0 GFADRO O=C1C[C@H]([C@H]2CCCC[N@H+]2Cc2ccc(I)s2)CN1 ZINC000602493891 565852607 /nfs/dbraw/zinc/85/26/07/565852607.db2.gz NAZSERJZENGTEX-CMPLNLGQSA-N 1 0 390.290 2.843 20 0 GFADRO COC(=O)c1csc(C[NH2+][C@@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)c1 ZINC000602522726 565852968 /nfs/dbraw/zinc/85/29/68/565852968.db2.gz WXPSXLTUMUDVGG-LBPRGKRZSA-N 1 0 382.507 2.636 20 0 GFADRO COC(=O)[C@H]1CCCC[C@@]1(C)[NH2+]Cc1cnn2cc(Br)cnc12 ZINC000602510027 565852981 /nfs/dbraw/zinc/85/29/81/565852981.db2.gz QMIRWDCYDZPKBX-CZUORRHYSA-N 1 0 381.274 2.703 20 0 GFADRO C[S@](=O)C1(C(=O)NC(CCC(F)(F)F)CCC(F)(F)F)CC[NH2+]CC1 ZINC000602520784 565853076 /nfs/dbraw/zinc/85/30/76/565853076.db2.gz JNZGJLKLWKYQHK-VWLOTQADSA-N 1 0 396.397 2.657 20 0 GFADRO C[S@@](=O)C1(C(=O)NC(CCC(F)(F)F)CCC(F)(F)F)CC[NH2+]CC1 ZINC000602520781 565853106 /nfs/dbraw/zinc/85/31/06/565853106.db2.gz JNZGJLKLWKYQHK-RUZDIDTESA-N 1 0 396.397 2.657 20 0 GFADRO CCOC(=O)c1ccc(C[NH2+]CC(=O)Nc2ccc(Br)cc2C)[nH]1 ZINC000602533925 565854012 /nfs/dbraw/zinc/85/40/12/565854012.db2.gz ZRIYJOIIBUTFSK-UHFFFAOYSA-N 1 0 394.269 2.991 20 0 GFADRO CCN1CC[NH+](C[C@H](C)CNc2ccc(-c3ccc(Cl)s3)nn2)CC1 ZINC000651299199 565854105 /nfs/dbraw/zinc/85/41/05/565854105.db2.gz BNKLWOPTFOSPFJ-CQSZACIVSA-N 1 0 379.961 3.544 20 0 GFADRO O=C(N[C@H]1CC[N@H+](CC2CC2)C1)[C@H]1CCOc2ccc(Br)cc21 ZINC000651295463 565854157 /nfs/dbraw/zinc/85/41/57/565854157.db2.gz FXEJKXCCFUABGL-GJZGRUSLSA-N 1 0 379.298 2.916 20 0 GFADRO CN1CCC([N@@H+]2CC[C@H](Nc3ccc(-c4ccc(Cl)s4)nn3)C2)CC1 ZINC000651313928 565856254 /nfs/dbraw/zinc/85/62/54/565856254.db2.gz OLDOVUJTLLPZOF-ZDUSSCGKSA-N 1 0 377.945 3.439 20 0 GFADRO C[C@@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH2+]C[C@@H]1COCCN1 ZINC000629533307 565858105 /nfs/dbraw/zinc/85/81/05/565858105.db2.gz TYGIDBUVEWONKO-CMPLNLGQSA-N 1 0 379.810 2.654 20 0 GFADRO O=C1[C@H](NC[C@@H](O)C[NH+]2CCCC2)CCCN1c1ccc(Cl)cc1Cl ZINC000629573408 565860352 /nfs/dbraw/zinc/86/03/52/565860352.db2.gz BIVBUKRJQFGDOZ-GDBMZVCRSA-N 1 0 386.323 2.535 20 0 GFADRO O[C@H](CNc1ccc(CCn2cc(Br)cn2)cc1)C[NH+]1CCCC1 ZINC000629581446 565860443 /nfs/dbraw/zinc/86/04/43/565860443.db2.gz AYVYDZIEAKUDIZ-GOSISDBHSA-N 1 0 393.329 2.757 20 0 GFADRO C[S@@](=O)Cc1ccc(C[NH2+]Cc2cnn3cc(Br)cnc23)cc1 ZINC000602653484 565861218 /nfs/dbraw/zinc/86/12/18/565861218.db2.gz IQVRHEPPVUCTHH-HSZRJFAPSA-N 1 0 393.310 2.660 20 0 GFADRO COc1ncc(Br)cc1C[NH2+]C[C@H](O)COc1c(C)cccc1C ZINC000629593982 565861730 /nfs/dbraw/zinc/86/17/30/565861730.db2.gz XWRRUYAFHVDWFV-INIZCTEOSA-N 1 0 395.297 2.999 20 0 GFADRO COc1ncc(Br)cc1C[NH2+]C[C@H](O)COc1ccc(C)cc1C ZINC000629593644 565861778 /nfs/dbraw/zinc/86/17/78/565861778.db2.gz SUPWCZDYMAIEDG-INIZCTEOSA-N 1 0 395.297 2.999 20 0 GFADRO O=C1[C@@H]([NH2+]Cc2ccc(I)s2)C[C@H]2CCCCN12 ZINC000602686168 565863987 /nfs/dbraw/zinc/86/39/87/565863987.db2.gz AZTJPBYCLGZDMB-KOLCDFICSA-N 1 0 376.263 2.596 20 0 GFADRO CC[C@H](c1ccc(Br)cc1)N1CCN(C(=O)[C@H](C)[NH+](C)C)CC1 ZINC000674288063 565866009 /nfs/dbraw/zinc/86/60/09/565866009.db2.gz UWAATCDFMGWLGA-WMLDXEAASA-N 1 0 382.346 2.995 20 0 GFADRO OCCC1(CCO)CC[NH+](Cc2cccc(I)c2)CC1 ZINC000602730683 565866703 /nfs/dbraw/zinc/86/67/03/565866703.db2.gz FDHLINKVPGWTFW-UHFFFAOYSA-N 1 0 389.277 2.638 20 0 GFADRO CC(C)[N@@H+]1CCCN(C(=O)c2cc(=O)c3cc(Br)ccc3[nH]2)CC1 ZINC000602766159 565867905 /nfs/dbraw/zinc/86/79/05/565867905.db2.gz PAVXEURYFOJZIV-UHFFFAOYSA-N 1 0 392.297 2.847 20 0 GFADRO COC1CC[NH+](CCNC(=O)c2cc3c(cc(Br)cc3F)[nH]2)CC1 ZINC000674324547 565868809 /nfs/dbraw/zinc/86/88/09/565868809.db2.gz QAZSGDFUZQDVGL-UHFFFAOYSA-N 1 0 398.276 2.910 20 0 GFADRO CC[C@@H](C[NH+]1CCCC1)NS(=O)(=O)c1ccc(Br)c(C)c1 ZINC000674345379 565870506 /nfs/dbraw/zinc/87/05/06/565870506.db2.gz RFKSDCCEMZOUJC-ZDUSSCGKSA-N 1 0 375.332 2.910 20 0 GFADRO CC[C@@H](C[NH+]1CCCC1)NS(=O)(=O)c1ccc(Br)c(OC)c1 ZINC000674346010 565870741 /nfs/dbraw/zinc/87/07/41/565870741.db2.gz FPLWEOGHJVKHGI-LBPRGKRZSA-N 1 0 391.331 2.610 20 0 GFADRO CCN1C(=O)[C@@H]2C[N@H+](CC/C=C/c3ccc(Br)cc3)CCN2C1=O ZINC000674469290 565874674 /nfs/dbraw/zinc/87/46/74/565874674.db2.gz YTQUJKYZPUATSV-WMHVBEDNSA-N 1 0 392.297 2.821 20 0 GFADRO Cc1nc(CSc2ccc(C(=O)NCC[N@@H+]3CC[C@H](O)C3)cc2)cs1 ZINC000629911918 565875052 /nfs/dbraw/zinc/87/50/52/565875052.db2.gz XUQXYROTAYDXHQ-INIZCTEOSA-N 1 0 377.535 2.540 20 0 GFADRO CC(=O)NCCN(Cc1ccc(Cl)cc1Cl)C(=O)C[N@@H+](C)C1CCC1 ZINC000629991008 565877430 /nfs/dbraw/zinc/87/74/30/565877430.db2.gz ZQXKSPVFCFKYHK-UHFFFAOYSA-N 1 0 386.323 2.942 20 0 GFADRO CC(C)N(Cc1cccc(Br)c1)C(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000630026902 565879712 /nfs/dbraw/zinc/87/97/12/565879712.db2.gz UKZQZIHDYGFQAR-QGZVFWFLSA-N 1 0 380.330 2.576 20 0 GFADRO O[C@@H](C[N@@H+]1CCC[C@@H]1c1ccc(Br)cc1)CC1(O)CCOCC1 ZINC000630041690 565880789 /nfs/dbraw/zinc/88/07/89/565880789.db2.gz RVIZYGCYAVNVMX-IAGOWNOFSA-N 1 0 384.314 2.879 20 0 GFADRO CCOC(=O)CCCCn1cc([C@@H]([NH3+])c2ccc(Br)cc2)nn1 ZINC000603202985 565890164 /nfs/dbraw/zinc/89/01/64/565890164.db2.gz IEYVHFLELMBNKZ-INIZCTEOSA-N 1 0 381.274 2.822 20 0 GFADRO Cc1cc(C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)c(Br)s1 ZINC000675462356 565903691 /nfs/dbraw/zinc/90/36/91/565903691.db2.gz PRWHTGXSTRMOJM-LBPRGKRZSA-N 1 0 386.359 2.717 20 0 GFADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)CCCc1cccc(Br)c1 ZINC000675456644 565903755 /nfs/dbraw/zinc/90/37/55/565903755.db2.gz CHWIAJKTLQWIDR-HNNXBMFYSA-N 1 0 382.346 2.524 20 0 GFADRO COC(=O)c1scc(C)c1S(=O)(=O)N(C)CCCC[NH+]1CCCCC1 ZINC000603417614 565903892 /nfs/dbraw/zinc/90/38/92/565903892.db2.gz LYXXDEDCAVIISC-UHFFFAOYSA-N 1 0 388.555 2.730 20 0 GFADRO C[NH+](C)C[C@@H]1CN(S(=O)(=O)c2cc(F)ccc2Cl)c2ccccc2O1 ZINC000675469232 565905232 /nfs/dbraw/zinc/90/52/32/565905232.db2.gz IOKNDLMIQLWJSL-CYBMUJFWSA-N 1 0 384.860 2.997 20 0 GFADRO Cc1ccc(S(=O)(=O)N(C)CC[NH+]2CCCCC2)c(Br)c1 ZINC000651926954 565905278 /nfs/dbraw/zinc/90/52/78/565905278.db2.gz SPPRXHFOWUSCIX-UHFFFAOYSA-N 1 0 375.332 2.864 20 0 GFADRO O[C@@H]1CC[N@@H+](C2CN(Cc3cc(C(F)(F)F)ccc3Br)C2)C1 ZINC000651977348 565908110 /nfs/dbraw/zinc/90/81/10/565908110.db2.gz GRPWGAIHAVNINK-CYBMUJFWSA-N 1 0 379.220 2.719 20 0 GFADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+]CCC1(CO)CCC1 ZINC000652037057 565912637 /nfs/dbraw/zinc/91/26/37/565912637.db2.gz DSCHAZGMKJTIDE-CYBMUJFWSA-N 1 0 399.329 2.605 20 0 GFADRO C[C@@H]1C[C@@H]([NH2+]CCCN(C)S(C)(=O)=O)c2cccc(Br)c21 ZINC000675746159 565913782 /nfs/dbraw/zinc/91/37/82/565913782.db2.gz CYXWCIFFEDVEIB-BXUZGUMPSA-N 1 0 375.332 2.869 20 0 GFADRO C[N@@H+]1CCCN(CCCNC(=O)[C@@H]2C[C@@H]2c2cccc(Br)c2)CC1 ZINC000603812546 565916136 /nfs/dbraw/zinc/91/61/36/565916136.db2.gz VEWDPBBDMMOEAX-QZTJIDSGSA-N 1 0 394.357 2.696 20 0 GFADRO O=C(NCCC1CC[NH2+]CC1)N[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000652146249 565917630 /nfs/dbraw/zinc/91/76/30/565917630.db2.gz NNFOWHQUNHUQBD-MRXNPFEDSA-N 1 0 395.345 2.717 20 0 GFADRO C[N@@H+]1CCCN(CCCNC(=O)CCc2cc(Br)cs2)CC1 ZINC000603897583 565918098 /nfs/dbraw/zinc/91/80/98/565918098.db2.gz DPKMVDGZCHDHBM-UHFFFAOYSA-N 1 0 388.375 2.587 20 0 GFADRO COc1cc(Br)ccc1CCCNC(=O)NCCC1(C[NH3+])CC1 ZINC000652178265 565918308 /nfs/dbraw/zinc/91/83/08/565918308.db2.gz HQUYWYQPMHYYPP-UHFFFAOYSA-N 1 0 384.318 2.819 20 0 GFADRO CCO[C@@H]1CN(C(=O)N[C@H](C)c2ccc(Br)cc2F)C[C@H]1C[NH3+] ZINC000652191700 565918950 /nfs/dbraw/zinc/91/89/50/565918950.db2.gz BQJPKBQOPZLNKY-UEKVPHQBSA-N 1 0 388.281 2.654 20 0 GFADRO CC[C@H](Cc1cccs1)[NH2+]Cc1cccc(S(=O)(=O)NCCOC)c1 ZINC000675890910 565920082 /nfs/dbraw/zinc/92/00/82/565920082.db2.gz YXZXPHLILPIJMX-MRXNPFEDSA-N 1 0 382.551 2.784 20 0 GFADRO CC[NH+](CC)CCN(CC(C)C)S(=O)(=O)c1ccc(C(=O)OC)s1 ZINC000603957985 565920289 /nfs/dbraw/zinc/92/02/89/565920289.db2.gz TZRBSZITURFXAH-UHFFFAOYSA-N 1 0 376.544 2.523 20 0 GFADRO C[C@@H](NC(=O)N[C@@H](CO)c1cccc(Br)c1)C1CC[NH+](C)CC1 ZINC000675995960 565921588 /nfs/dbraw/zinc/92/15/88/565921588.db2.gz WRNWRQQWTJYFIT-WBMJQRKESA-N 1 0 384.318 2.512 20 0 GFADRO CN(Cc1ccc2c(c1)C[NH2+]CC2)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000652341189 565923221 /nfs/dbraw/zinc/92/32/21/565923221.db2.gz OLZCXOJLJRVBQO-GOSISDBHSA-N 1 0 388.309 2.753 20 0 GFADRO CC[N@@H+]1CCC[C@H](CNC(=O)c2ccc3cncc(Br)c3n2)C1 ZINC000630853273 565923818 /nfs/dbraw/zinc/92/38/18/565923818.db2.gz HGHHBGSSQZZANW-GFCCVEGCSA-N 1 0 377.286 2.854 20 0 GFADRO COc1ccc(S(=O)(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)c(Cl)c1Cl ZINC000652376378 565925398 /nfs/dbraw/zinc/92/53/98/565925398.db2.gz JASIWLWIEWHHJS-BONVTDFDSA-N 1 0 379.309 2.752 20 0 GFADRO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCN(S(=O)(=O)c3c(Cl)cccc3Cl)C2)C1 ZINC000652375614 565925438 /nfs/dbraw/zinc/92/54/38/565925438.db2.gz VNPDFYSOWJHZNP-YWPYICTPSA-N 1 0 393.336 2.900 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(S(=O)(=O)c3ccc(Cl)c(Cl)c3)C2)C1 ZINC000652375712 565925530 /nfs/dbraw/zinc/92/55/30/565925530.db2.gz XYXPYUIFORRAIZ-HSMVNMDESA-N 1 0 393.336 2.900 20 0 GFADRO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCN(S(=O)(=O)c3ccc(C(F)(F)F)s3)C2)C1 ZINC000652374223 565925585 /nfs/dbraw/zinc/92/55/85/565925585.db2.gz MCOLSJNGWBAUOS-QJPTWQEYSA-N 1 0 398.472 2.674 20 0 GFADRO Cc1cc(Br)sc1S(=O)(=O)N1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000652376794 565925761 /nfs/dbraw/zinc/92/57/61/565925761.db2.gz GZIYCQREEHGCBE-GXSJLCMTSA-N 1 0 381.361 2.957 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(S(=O)(=O)c3cc(Cl)ccc3Cl)C2)C1 ZINC000652375125 565925919 /nfs/dbraw/zinc/92/59/19/565925919.db2.gz JGTQWIWMVUIYCT-LNSITVRQSA-N 1 0 393.336 2.900 20 0 GFADRO COc1ccc(Br)c(S(=O)(=O)N2CCC[C@H](C)[C@H]2CC[NH3+])c1 ZINC000652377370 565926670 /nfs/dbraw/zinc/92/66/70/565926670.db2.gz FTHYSHZWKUFRCI-SMDDNHRTSA-N 1 0 391.331 2.596 20 0 GFADRO CCn1c(-c2cc(Br)c[nH]2)nnc1N(C)CC[NH+]1CCCCC1 ZINC000652576927 565933973 /nfs/dbraw/zinc/93/39/73/565933973.db2.gz FKNWRRGAYUUJRH-UHFFFAOYSA-N 1 0 381.322 2.978 20 0 GFADRO [NH3+]CC1(CCNC(=O)Nc2ccnn2Cc2ccccc2Br)CC1 ZINC000652596730 565934731 /nfs/dbraw/zinc/93/47/31/565934731.db2.gz IZHMVJRHQMUYDX-UHFFFAOYSA-N 1 0 392.301 2.944 20 0 GFADRO CCO[C@@H]1CN(C(=O)Nc2cc(Br)c(F)cc2F)C[C@H]1C[NH3+] ZINC000652598263 565934954 /nfs/dbraw/zinc/93/49/54/565934954.db2.gz ZOPALYSNKHXBKS-AMIZOPFISA-N 1 0 378.217 2.555 20 0 GFADRO [NH3+]CC1(CCNC(=O)Nc2cnn(-c3ccccc3Br)c2)CC1 ZINC000652587300 565935041 /nfs/dbraw/zinc/93/50/41/565935041.db2.gz YVNCRMBBLOCWEF-UHFFFAOYSA-N 1 0 378.274 2.885 20 0 GFADRO C[C@H](Cc1cccc(Br)c1)[NH2+]Cc1cn(C[C@H]2CCOC2)nn1 ZINC000631051908 565936781 /nfs/dbraw/zinc/93/67/81/565936781.db2.gz KCTNIGKNTUETSC-UKRRQHHQSA-N 1 0 379.302 2.798 20 0 GFADRO COCCC[N@H+](C)CCNC(=O)N1CCc2sc(Br)cc2C1 ZINC000676421144 565937073 /nfs/dbraw/zinc/93/70/73/565937073.db2.gz BJEIMRAQBLAOCI-UHFFFAOYSA-N 1 0 390.347 2.547 20 0 GFADRO O=C(NCCC1CC[NH2+]CC1)C(=O)Nc1ccc(Br)c(Cl)c1 ZINC000652643556 565937269 /nfs/dbraw/zinc/93/72/69/565937269.db2.gz PXFKWPZNQBXHSS-UHFFFAOYSA-N 1 0 388.693 2.547 20 0 GFADRO OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCc1ccncc1Br ZINC000631079120 565938428 /nfs/dbraw/zinc/93/84/28/565938428.db2.gz YVQSAWTYJQVGNP-PKOBYXMFSA-N 1 0 390.325 2.817 20 0 GFADRO O[C@H]1CCC[C@H]1[NH+]1CCC(NCc2ncc(Br)cc2Cl)CC1 ZINC000631090639 565940167 /nfs/dbraw/zinc/94/01/67/565940167.db2.gz HPLIQCXZARTTBE-CVEARBPZSA-N 1 0 388.737 2.965 20 0 GFADRO O=C(Nc1ccc(SCC[NH+]2CCCC2)cc1)[C@@H]1CCCS(=O)(=O)C1 ZINC000652870574 565945092 /nfs/dbraw/zinc/94/50/92/565945092.db2.gz BECIKVCONGFAGE-OAHLLOKOSA-N 1 0 382.551 2.638 20 0 GFADRO CS(=O)(=O)CC1(CC[NH2+]Cc2ncc(Br)cc2Cl)CC1 ZINC000631172295 565946572 /nfs/dbraw/zinc/94/65/72/565946572.db2.gz NUFZQTKQYXHDNK-UHFFFAOYSA-N 1 0 381.723 2.802 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+][C@@H]1C[C@@H](C)O[C@@H]1C ZINC000631223282 565949412 /nfs/dbraw/zinc/94/94/12/565949412.db2.gz SRCSYIGMDYOQMZ-MCYUEQNJSA-N 1 0 385.302 2.618 20 0 GFADRO Brc1ccc(-c2n[nH]cc2C[NH2+]C2CN(c3ccncn3)C2)s1 ZINC000631256627 565951205 /nfs/dbraw/zinc/95/12/05/565951205.db2.gz QDXZZLQMPFOGLC-UHFFFAOYSA-N 1 0 391.298 2.669 20 0 GFADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)CCNC(=O)c1ccc(Br)cc1 ZINC000605372052 565951340 /nfs/dbraw/zinc/95/13/40/565951340.db2.gz KCVBUAHDZIDSFI-INIZCTEOSA-N 1 0 396.329 2.560 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)CCC[N@@H+]1CC[C@H](CC(N)=O)C1 ZINC000676870902 565952422 /nfs/dbraw/zinc/95/24/22/565952422.db2.gz IBEKEPRAYXLXKF-CQSZACIVSA-N 1 0 396.329 2.982 20 0 GFADRO Cc1sc(CNC(=O)[C@]23C[NH2+]C[C@H]2COC3)nc1-c1ccc(Cl)cc1 ZINC000653071509 565953516 /nfs/dbraw/zinc/95/35/16/565953516.db2.gz IRTKFRUFFJLYPY-UGSOOPFHSA-N 1 0 377.897 2.624 20 0 GFADRO CCc1c(NC(=O)[C@@H](N)CC[NH+](C)C)n[nH]c1-c1ccc(Br)cc1 ZINC000653089214 565953944 /nfs/dbraw/zinc/95/39/44/565953944.db2.gz ATYQHWOTBXRCLX-AWEZNQCLSA-N 1 0 394.317 2.619 20 0 GFADRO C[C@@H]1Cc2cc(S(=O)(=O)N3CCC[C@H]3C[NH+]3CCCC3)cc(Cl)c2O1 ZINC000605582924 565954882 /nfs/dbraw/zinc/95/48/82/565954882.db2.gz HHWRWZNXYMHOKP-HIFRSBDPSA-N 1 0 384.929 2.912 20 0 GFADRO O=C(N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653154916 565956380 /nfs/dbraw/zinc/95/63/80/565956380.db2.gz COIKYSBHRSTYEC-OWCLPIDISA-N 1 0 382.291 2.746 20 0 GFADRO O=C([C@@H]1CC[C@@H](C2CC2)[NH2+]1)N1CCN(Cc2ccc(Br)cc2)CC1 ZINC000653168188 565957486 /nfs/dbraw/zinc/95/74/86/565957486.db2.gz SGFPWBGDCJXUJA-ROUUACIJSA-N 1 0 392.341 2.624 20 0 GFADRO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCN(C(=O)c3cc(F)cc(Br)c3)C2)C1 ZINC000653187748 565958491 /nfs/dbraw/zinc/95/84/91/565958491.db2.gz BGVBRIIKTDMAEW-IUIKQTSFSA-N 1 0 385.277 2.947 20 0 GFADRO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCN(C(=O)c3ccc(F)c(Br)c3)C2)C1 ZINC000653187612 565958634 /nfs/dbraw/zinc/95/86/34/565958634.db2.gz AIEKCWCICKOGCZ-WOSRLPQWSA-N 1 0 385.277 2.947 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)NCCC1(C[NH3+])CC1 ZINC000653219493 565959720 /nfs/dbraw/zinc/95/97/20/565959720.db2.gz GCFODOOLLGFYGO-AWEZNQCLSA-N 1 0 384.567 2.596 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2C(=O)COc2cccc(Br)c2)C1 ZINC000653267192 565960691 /nfs/dbraw/zinc/96/06/91/565960691.db2.gz MBRVXYJXYANKJX-PVAVHDDUSA-N 1 0 397.313 2.715 20 0 GFADRO CC[NH+](CC)[C@@H](CNS(=O)(=O)c1cnc(C)s1)c1cccc(OC)c1 ZINC000677239318 565965207 /nfs/dbraw/zinc/96/52/07/565965207.db2.gz RKPCONFDEYGOJZ-INIZCTEOSA-N 1 0 383.539 2.822 20 0 GFADRO C[C@@H]([NH2+][C@@H](CCO)c1ccc(Cl)c(F)c1)c1ccc(S(N)(=O)=O)cc1 ZINC000631660420 565965785 /nfs/dbraw/zinc/96/57/85/565965785.db2.gz PJCCJUOSPOZHCK-DIFFPNOSSA-N 1 0 386.876 2.901 20 0 GFADRO CC(C)[C@H](CNC(=O)NCc1n[nH]cc1Br)[NH+]1CCC(C)CC1 ZINC000606483563 565966055 /nfs/dbraw/zinc/96/60/55/565966055.db2.gz STBBJJFWTAHSPB-HNNXBMFYSA-N 1 0 386.338 2.728 20 0 GFADRO C[C@H](Cc1ccc(Br)cc1F)[NH2+]CCCN1CCCS1(=O)=O ZINC000631656922 565966594 /nfs/dbraw/zinc/96/65/94/565966594.db2.gz YCZGRGMXFUEQDI-GFCCVEGCSA-N 1 0 393.322 2.534 20 0 GFADRO COCC[N@@H+]1CC[C@H](NC(=O)NC(C)(C)c2ccc(Br)cc2)C1 ZINC000606644351 565968150 /nfs/dbraw/zinc/96/81/50/565968150.db2.gz ILDKGXHITLXKMF-HNNXBMFYSA-N 1 0 384.318 2.704 20 0 GFADRO CCN(CC(=O)Nc1c(Cl)cccc1Cl)S(=O)(=O)CCC[NH+](C)C ZINC000631691139 565968213 /nfs/dbraw/zinc/96/82/13/565968213.db2.gz KJHAFFHMYGAASA-UHFFFAOYSA-N 1 0 396.340 2.535 20 0 GFADRO O=C(N[C@H]1CC[N@H+](CC2CC2)C1)c1cn(-c2ccc(Br)cc2)cn1 ZINC000677305567 565969090 /nfs/dbraw/zinc/96/90/90/565969090.db2.gz YNOGNXACJXDOIP-HNNXBMFYSA-N 1 0 389.297 2.849 20 0 GFADRO O=C(NCC[NH2+]Cc1cn2cccc(F)c2n1)c1cccc(Br)c1 ZINC000677320530 565970485 /nfs/dbraw/zinc/97/04/85/565970485.db2.gz KVOPNLZMOBVFBZ-UHFFFAOYSA-N 1 0 391.244 2.756 20 0 GFADRO CC(C)CN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc2[nH]c(=O)sc2c1 ZINC000631786508 565974436 /nfs/dbraw/zinc/97/44/36/565974436.db2.gz XGLHYRFZYPRRPH-UHFFFAOYSA-N 1 0 383.539 2.743 20 0 GFADRO O=S(=O)(CCC[NH+]1CCCC1)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 ZINC000631785862 565974941 /nfs/dbraw/zinc/97/49/41/565974941.db2.gz STDQNDQWXUENNB-VXGBXAGGSA-N 1 0 396.397 2.865 20 0 GFADRO O=S(=O)(C[C@H]1CCC1(F)F)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000631842768 565978101 /nfs/dbraw/zinc/97/81/01/565978101.db2.gz FNRVNMVTIUDJLF-CQSZACIVSA-N 1 0 378.510 2.925 20 0 GFADRO O=c1cc(CN2CCC[C@@H]([NH+]3CCCC3)C2)nc2ccc(Br)cn12 ZINC000607152628 565979610 /nfs/dbraw/zinc/97/96/10/565979610.db2.gz BEUMAOQDCVCWKK-MRXNPFEDSA-N 1 0 391.313 2.517 20 0 GFADRO Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC000607166614 565980765 /nfs/dbraw/zinc/98/07/65/565980765.db2.gz XBGVISYQVUPLQY-MRXNPFEDSA-N 1 0 381.929 2.726 20 0 GFADRO C[N@H+](CCOc1ccc(Br)cc1)CC[C@@H]1CCS(=O)(=O)C1 ZINC000677675336 565980957 /nfs/dbraw/zinc/98/09/57/565980957.db2.gz CEFNMIDHZLKEKQ-CYBMUJFWSA-N 1 0 376.316 2.585 20 0 GFADRO O=C(C[NH+]1CCC2(CC2)CC1)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000677718288 565981661 /nfs/dbraw/zinc/98/16/61/565981661.db2.gz WNSVAJCYLAMBIC-UHFFFAOYSA-N 1 0 383.323 2.913 20 0 GFADRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNS(=O)(=O)Cc1ncsc1Br ZINC000631920796 565983622 /nfs/dbraw/zinc/98/36/22/565983622.db2.gz GRHPTHVGHCZJRV-PHIMTYICSA-N 1 0 396.376 2.588 20 0 GFADRO [NH3+][C@H](CCNS(=O)(=O)C1CCC(C(F)(F)F)CC1)Cc1ccccc1 ZINC000631965322 565986683 /nfs/dbraw/zinc/98/66/83/565986683.db2.gz XWVWSXJRVCFNMN-HWOWSKLDSA-N 1 0 378.460 2.987 20 0 GFADRO COCC[N@@H+]1CCC[C@@H](NC(=O)c2c[nH]c3cccc(Br)c23)C1 ZINC000677882905 565986868 /nfs/dbraw/zinc/98/68/68/565986868.db2.gz MPBGUHBPJZCDOL-GFCCVEGCSA-N 1 0 380.286 2.771 20 0 GFADRO CN(C(=O)[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)[C@@H]1CCC[N@H+](C)C1 ZINC000607687197 565987929 /nfs/dbraw/zinc/98/79/29/565987929.db2.gz RHIHUUZKCHEXLA-KGLIPLIRSA-N 1 0 384.307 2.899 20 0 GFADRO O=C(Nc1cccnc1-c1ccc(Cl)s1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000654045575 565992070 /nfs/dbraw/zinc/99/20/70/565992070.db2.gz XCCGLNLNAVNUQT-NWDGAFQWSA-N 1 0 378.885 2.746 20 0 GFADRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)Nc2ccc3nccnc3c2Br)C1 ZINC000654072728 565994762 /nfs/dbraw/zinc/99/47/62/565994762.db2.gz PVQCHDNCVDXZNF-PHIMTYICSA-N 1 0 378.274 2.854 20 0 GFADRO Cc1cc(C(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c(C)cc1Br ZINC000678142925 566001089 /nfs/dbraw/zinc/00/10/89/566001089.db2.gz FBVJKHGSPMRXTK-DLBZAZTESA-N 1 0 381.314 2.737 20 0 GFADRO Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000654314854 566005118 /nfs/dbraw/zinc/00/51/18/566005118.db2.gz LPRFTUUCYVXAHR-NEPJUHHUSA-N 1 0 378.826 2.997 20 0 GFADRO O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)N1CCOc2cccc(Br)c2C1 ZINC000654381205 566007011 /nfs/dbraw/zinc/00/70/11/566007011.db2.gz KVHUWDPOOJRVSP-UONOGXRCSA-N 1 0 394.313 2.980 20 0 GFADRO CO[C@@H](C(=O)N1CCN(c2cc[nH+]cc2)CC1)c1ccccc1Br ZINC000654405538 566008398 /nfs/dbraw/zinc/00/83/98/566008398.db2.gz OVCZAOJBABGPLK-QGZVFWFLSA-N 1 0 390.281 2.880 20 0 GFADRO CC(C)(CNC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)c1ccc(Cl)c(Cl)c1 ZINC000654413114 566008651 /nfs/dbraw/zinc/00/86/51/566008651.db2.gz JXOXKZNJBBTQBZ-UONOGXRCSA-N 1 0 386.323 2.731 20 0 GFADRO C[NH+](C)CCCS(=O)(=O)N1CCC[C@@H]1c1ccc(Br)s1 ZINC000632205426 566010344 /nfs/dbraw/zinc/01/03/44/566010344.db2.gz YWVARXAMAYUNQL-LLVKDONJSA-N 1 0 381.361 2.929 20 0 GFADRO CC[C@H](Cc1cccs1)[NH2+]C1CCN(S(=O)(=O)C2CCOCC2)CC1 ZINC000678591780 566013805 /nfs/dbraw/zinc/01/38/05/566013805.db2.gz YTEOHDXRFSQGQI-OAHLLOKOSA-N 1 0 386.583 2.632 20 0 GFADRO Cc1cc(S(=O)(=O)NCC[N@H+]2CC[C@@H](C)C2)c(C)cc1Br ZINC000608745257 566020771 /nfs/dbraw/zinc/02/07/71/566020771.db2.gz MBFBGOGGFPOLTM-LLVKDONJSA-N 1 0 375.332 2.686 20 0 GFADRO CN(Cc1ccc(Cl)s1)C(=O)C(=O)N1CCC(C)([NH+]2CCCC2)CC1 ZINC000632359607 566024956 /nfs/dbraw/zinc/02/49/56/566024956.db2.gz FYSPTLVEVUZDEP-UHFFFAOYSA-N 1 0 383.945 2.837 20 0 GFADRO CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cc(F)ccc1Br ZINC000632408835 566029503 /nfs/dbraw/zinc/02/95/03/566029503.db2.gz WSPBBSVCIDCZFU-UHFFFAOYSA-N 1 0 379.295 2.693 20 0 GFADRO Cc1ccc(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)cc1I ZINC000609070655 566029833 /nfs/dbraw/zinc/02/98/33/566029833.db2.gz HHTAHTRGFDSMKG-HUUCEWRRSA-N 1 0 384.261 2.956 20 0 GFADRO CC(C)C[NH+]1CCN(C(=O)c2ccc(I)c(F)c2)CC1 ZINC000609160756 566032598 /nfs/dbraw/zinc/03/25/98/566032598.db2.gz NQGREDCOOBNXQY-UHFFFAOYSA-N 1 0 390.240 2.844 20 0 GFADRO CN1CCN(C)[C@H](C[NH2+][C@@H](c2ccc(Br)cc2)[C@@H]2CCCO2)C1 ZINC000679341645 566037593 /nfs/dbraw/zinc/03/75/93/566037593.db2.gz URYXAOCOPPEEBV-SQNIBIBYSA-N 1 0 382.346 2.505 20 0 GFADRO O=C(C[NH2+][C@H](c1ccc(Br)cc1)[C@H]1CCCO1)NCC(F)(F)F ZINC000679334811 566038665 /nfs/dbraw/zinc/03/86/65/566038665.db2.gz BHVCZKUZQIFBKI-TZMCWYRMSA-N 1 0 395.219 2.937 20 0 GFADRO C[C@H](C[NH2+][C@H](c1ccc(Br)cc1)[C@@H]1CCCO1)S(C)(=O)=O ZINC000679357154 566039649 /nfs/dbraw/zinc/03/96/49/566039649.db2.gz XWYWCCVIWIBCAQ-BYCMXARLSA-N 1 0 376.316 2.692 20 0 GFADRO C[C@H](Sc1ccnc2cc(Cl)ccc21)C(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000655096045 566039888 /nfs/dbraw/zinc/03/98/88/566039888.db2.gz ZXRUUSKZONPKSX-UVBJJODRSA-N 1 0 379.913 2.502 20 0 GFADRO COc1cc(C[NH2+]C[C@@](C)(O)C2CC2)cc(I)c1OC ZINC000609564534 566044433 /nfs/dbraw/zinc/04/44/33/566044433.db2.gz VPLRXRKCBOGMHX-OAHLLOKOSA-N 1 0 391.249 2.559 20 0 GFADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)CSCc3cccc(Cl)c3)CC2)C1 ZINC000609665169 566048824 /nfs/dbraw/zinc/04/88/24/566048824.db2.gz BKDKDVSSVKGFTK-SFHVURJKSA-N 1 0 381.973 2.812 20 0 GFADRO COc1ccc(C[NH+](C)C)cc1NC(=O)c1cc(I)c[nH]1 ZINC000609659530 566049135 /nfs/dbraw/zinc/04/91/35/566049135.db2.gz BTKYIIPSNSFIOR-UHFFFAOYSA-N 1 0 399.232 2.942 20 0 GFADRO O=S1(=O)CC[C@]2(C1)C[C@@H]([NH2+]Cc1c(Cl)ccc3cccnc31)CCO2 ZINC000679718466 566049997 /nfs/dbraw/zinc/04/99/97/566049997.db2.gz AYKYXOZLYPSVLX-KBXCAEBGSA-N 1 0 380.897 2.714 20 0 GFADRO CC1([NH+]2CCCC2)CCN(S(=O)(=O)c2c(F)c(F)cc(F)c2F)CC1 ZINC000632639297 566053423 /nfs/dbraw/zinc/05/34/23/566053423.db2.gz UBSHYKFRBXMZDV-UHFFFAOYSA-N 1 0 380.407 2.882 20 0 GFADRO CC1([NH+]2CCCC2)CCN(S(=O)(=O)c2c[nH]c3nccc(Cl)c23)CC1 ZINC000632640173 566053621 /nfs/dbraw/zinc/05/36/21/566053621.db2.gz SLIVBLGMFASTFI-UHFFFAOYSA-N 1 0 382.917 2.855 20 0 GFADRO C[N@@H+](Cc1ccccc1)C[C@@H](O)CN[C@H](CO)c1cccc(Br)c1 ZINC000679832513 566054588 /nfs/dbraw/zinc/05/45/88/566054588.db2.gz QYKIQLSZHWTAKI-RBUKOAKNSA-N 1 0 393.325 2.565 20 0 GFADRO Cc1ccc(OC[C@@H](O)C[NH2+][C@H](CO)c2ccc(Br)cc2)cc1 ZINC000679832359 566054733 /nfs/dbraw/zinc/05/47/33/566054733.db2.gz PQWWJISWNINDSS-FUHWJXTLSA-N 1 0 380.282 2.820 20 0 GFADRO Cc1cc(NC(=O)CCn2cc(Br)cn2)ccc1OCC[NH+](C)C ZINC000655359440 566055369 /nfs/dbraw/zinc/05/53/69/566055369.db2.gz BQEMHFUEDKGYCK-UHFFFAOYSA-N 1 0 395.301 2.923 20 0 GFADRO O=C(NC1(c2cccc(Br)c2)CCOCC1)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC000655429903 566055774 /nfs/dbraw/zinc/05/57/74/566055774.db2.gz PZZZNLCPRFDGNB-SJLPKXTDSA-N 1 0 393.325 2.961 20 0 GFADRO CC[C@H](C[NH+]1CCCC1)NC(=O)c1csc(I)c1 ZINC000609877419 566056206 /nfs/dbraw/zinc/05/62/06/566056206.db2.gz MPEBJRFIYSQZFS-LLVKDONJSA-N 1 0 378.279 2.957 20 0 GFADRO CSc1cc(Br)ccc1C(=O)N1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000655465002 566057661 /nfs/dbraw/zinc/05/76/61/566057661.db2.gz OOQLGPQMUSHROJ-LBPRGKRZSA-N 1 0 399.354 2.999 20 0 GFADRO Cc1c(Br)cccc1CS(=O)(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000655473081 566058966 /nfs/dbraw/zinc/05/89/66/566058966.db2.gz BVTSWOMYAGUCAE-ZDUSSCGKSA-N 1 0 387.343 2.661 20 0 GFADRO CSC[C@@](C)(O)CNC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000610022320 566060978 /nfs/dbraw/zinc/06/09/78/566060978.db2.gz LNBPQYQITAGAJT-AEFFLSMTSA-N 1 0 385.961 2.890 20 0 GFADRO O[C@H](COc1ccc(Br)cc1)C[NH+]1CCC([C@H]2CCOC2)CC1 ZINC000680088245 566061623 /nfs/dbraw/zinc/06/16/23/566061623.db2.gz UAVRJGNIRYGKGY-RDJZCZTQSA-N 1 0 384.314 2.937 20 0 GFADRO CN(Cc1ccc(F)cc1Br)C(=O)c1cnn(CC[NH+](C)C)c1 ZINC000632752151 566063294 /nfs/dbraw/zinc/06/32/94/566063294.db2.gz CAECHIVZRQUXKV-UHFFFAOYSA-N 1 0 383.265 2.619 20 0 GFADRO Cc1c(Br)cccc1CS(=O)(=O)N1CC[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000655552255 566067244 /nfs/dbraw/zinc/06/72/44/566067244.db2.gz MLOZQVNBDPAHRD-CJNGLKHVSA-N 1 0 387.343 2.613 20 0 GFADRO O=C(N[C@H](c1ccc(Cl)cc1)C(F)(F)F)N1CCC([NH2+]CCO)CC1 ZINC000632936277 566075212 /nfs/dbraw/zinc/07/52/12/566075212.db2.gz YCIOFMSBPPBVMX-CQSZACIVSA-N 1 0 379.810 2.699 20 0 GFADRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1cc(Br)c2nccn2c1 ZINC000633032901 566080348 /nfs/dbraw/zinc/08/03/48/566080348.db2.gz NTOXTJVWKZRLRE-TZMCWYRMSA-N 1 0 377.286 2.796 20 0 GFADRO Cc1cc(Br)cc(NC(=O)C(=O)N[C@@H]2CC[NH2+]CC(C)(C)C2)c1 ZINC000633045704 566080419 /nfs/dbraw/zinc/08/04/19/566080419.db2.gz KGHAJSHFUBWXAJ-CYBMUJFWSA-N 1 0 382.302 2.590 20 0 GFADRO CC1(C)C[NH2+]CC[C@H](NC(=O)C(=O)Nc2cc(Cl)c(Cl)cc2F)C1 ZINC000633046365 566080559 /nfs/dbraw/zinc/08/05/59/566080559.db2.gz QQMVQSHUSKLLOT-VIFPVBQESA-N 1 0 376.259 2.965 20 0 GFADRO [NH3+]CC1(NC(=O)C(=O)Nc2ccc(OC(F)F)c(Cl)c2)CCCCC1 ZINC000633049769 566082066 /nfs/dbraw/zinc/08/20/66/566082066.db2.gz SWFMTCUOLWSCNI-UHFFFAOYSA-N 1 0 375.803 2.658 20 0 GFADRO O[C@@H](COc1ccc(Cl)c(Cl)c1)CN1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000680857721 566085494 /nfs/dbraw/zinc/08/54/94/566085494.db2.gz PLGTURKKPJJALI-ZBFHGGJFSA-N 1 0 389.323 2.530 20 0 GFADRO Cc1nn(-c2ccccc2Br)cc1C[NH2+]C[C@@]1(O)CCO[C@H]1C ZINC000655768680 566088760 /nfs/dbraw/zinc/08/87/60/566088760.db2.gz MCFZPVWKKLUJOZ-GUYCJALGSA-N 1 0 380.286 2.573 20 0 GFADRO C[N@@H+]1CCC[C@]2(CCN(C(=O)c3cc(Br)c4nccn4c3)C2)C1 ZINC000633205308 566089417 /nfs/dbraw/zinc/08/94/17/566089417.db2.gz CBYWYZBRXWGHJD-KRWDZBQOSA-N 1 0 377.286 2.655 20 0 GFADRO Cc1nn(-c2cccc(Br)c2)cc1C[NH2+]CC[C@@]1(O)CCOC1 ZINC000655799939 566090442 /nfs/dbraw/zinc/09/04/42/566090442.db2.gz RIUYMTJPVGJFNE-QGZVFWFLSA-N 1 0 380.286 2.574 20 0 GFADRO CC[C@@H]1CN(S(C)(=O)=O)CC[C@H]1[NH2+][C@@H](C)c1nc(C(F)(F)F)cs1 ZINC000681053879 566092536 /nfs/dbraw/zinc/09/25/36/566092536.db2.gz DUKXIDKHYGPOLF-HBNTYKKESA-N 1 0 385.477 2.873 20 0 GFADRO CCOc1c(Br)cc(C[NH2+][C@H]2CCc3c(nnn3C)C2)cc1OC ZINC000655841520 566092569 /nfs/dbraw/zinc/09/25/69/566092569.db2.gz FEDMNZAOSVMQAD-LBPRGKRZSA-N 1 0 395.301 2.632 20 0 GFADRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(c2cc(Br)cnc2C(N)=O)C1 ZINC000681147691 566095350 /nfs/dbraw/zinc/09/53/50/566095350.db2.gz PFHQURGZYYOJIV-OAHLLOKOSA-N 1 0 389.297 2.654 20 0 GFADRO C[C@H](NC(=O)CCn1cc(Br)cn1)[C@H](c1ccccc1)[NH+](C)C ZINC000681145109 566095709 /nfs/dbraw/zinc/09/57/09/566095709.db2.gz CVAMQKRVKCAMHL-SUMWQHHRSA-N 1 0 379.302 2.843 20 0 GFADRO CC1CC[NH+](C[C@@H]2CCCN(c3cc(Br)cnc3C(N)=O)C2)CC1 ZINC000681146745 566095827 /nfs/dbraw/zinc/09/58/27/566095827.db2.gz FVYIVWYXXKSRBD-AWEZNQCLSA-N 1 0 395.345 2.891 20 0 GFADRO C[C@H](Cc1ccc(F)c(Br)c1)NC(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000655923078 566096642 /nfs/dbraw/zinc/09/66/42/566096642.db2.gz ZUSRHPZRUUNGJH-HQJQHLMTSA-N 1 0 386.187 2.708 20 0 GFADRO O=C(NC1CC[NH+](C2CCC2)CC1)c1cc(Br)c2nccn2c1 ZINC000633348098 566098027 /nfs/dbraw/zinc/09/80/27/566098027.db2.gz QKCOSYHFHPKXFH-UHFFFAOYSA-N 1 0 377.286 2.844 20 0 GFADRO [NH3+]C[C@H](NC(=O)C(=O)Nc1cc(Cl)c(Cl)cc1Cl)C(F)(F)F ZINC000655957811 566098711 /nfs/dbraw/zinc/09/87/11/566098711.db2.gz ABTFTZVHNLPAIJ-QMMMGPOBSA-N 1 0 378.565 2.591 20 0 GFADRO C[C@@H](NC(=O)N1CCC[C@@H]([NH+]2CCCC2)C1)c1ncc(Br)cn1 ZINC000655962209 566099317 /nfs/dbraw/zinc/09/93/17/566099317.db2.gz NSQGRYJASYIASL-TZMCWYRMSA-N 1 0 382.306 2.570 20 0 GFADRO C[NH2+]CCC1CCN(S(=O)(=O)Cc2cccc(Br)c2C)CC1 ZINC000655951811 566099446 /nfs/dbraw/zinc/09/94/46/566099446.db2.gz FCSXNHFZVNUKSQ-UHFFFAOYSA-N 1 0 389.359 2.909 20 0 GFADRO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)NCCCc1c(Cl)cccc1Cl ZINC000656030011 566100805 /nfs/dbraw/zinc/10/08/05/566100805.db2.gz NNZFXUVZDOZUEI-MRXNPFEDSA-N 1 0 388.339 2.874 20 0 GFADRO CC[C@@H]([NH2+]C[C@@H]1CN(C)CCN1C)c1ccc(I)cc1 ZINC000610815020 566101694 /nfs/dbraw/zinc/10/16/94/566101694.db2.gz IXKNGSDYQYDGEU-HZPDHXFCSA-N 1 0 387.309 2.578 20 0 GFADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)Nc3ccc(Br)cc3)CC2)C1 ZINC000681371182 566103222 /nfs/dbraw/zinc/10/32/22/566103222.db2.gz IKTGKSZRJXKEID-INIZCTEOSA-N 1 0 381.318 2.693 20 0 GFADRO C[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H]3[C@@H]4c5ccc(Br)cc5C[C@H]34)[C@@H]2C1 ZINC000633492303 566106454 /nfs/dbraw/zinc/10/64/54/566106454.db2.gz ZUGZHRMWFOTDIZ-RNEPWOLLSA-N 1 0 375.310 2.887 20 0 GFADRO [NH3+]C[C@@H](NCc1ncc(Br)cc1Br)C(F)(F)F ZINC000656194649 566113058 /nfs/dbraw/zinc/11/30/58/566113058.db2.gz MPNFMJADFPXKBB-MRVPVSSYSA-N 1 0 377.002 2.586 20 0 GFADRO COc1ccc(S(=O)(=O)N2C[C@@H](SC)[C@@H]([NH+](C)C)C2)c2ccccc12 ZINC000611184508 566119690 /nfs/dbraw/zinc/11/96/90/566119690.db2.gz PVKWPGLFFFIVNF-DOTOQJQBSA-N 1 0 380.535 2.515 20 0 GFADRO C[C@H](c1ccc([S@](C)=O)cc1)[N@H+](C)Cc1cccc(NS(C)(=O)=O)c1 ZINC000611276956 566124509 /nfs/dbraw/zinc/12/45/09/566124509.db2.gz XVZRUMUEKYAOET-SHACYNPGSA-N 1 0 380.535 2.989 20 0 GFADRO CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000656360160 566125654 /nfs/dbraw/zinc/12/56/54/566125654.db2.gz RWKQBRUWJVGEKB-GJZGRUSLSA-N 1 0 383.945 2.883 20 0 GFADRO CC[C@@H]([NH2+][C@H](CO)c1cnn(C)c1)c1ccc(I)cc1 ZINC000611337258 566126710 /nfs/dbraw/zinc/12/67/10/566126710.db2.gz NBFWKFAAMRCIHP-HUUCEWRRSA-N 1 0 385.249 2.799 20 0 GFADRO CC[NH+](CC)Cc1ccc(C(=O)Nc2ccncc2I)o1 ZINC000611508211 566133449 /nfs/dbraw/zinc/13/34/49/566133449.db2.gz SEDZMFORVFDHFB-UHFFFAOYSA-N 1 0 399.232 2.795 20 0 GFADRO CC1(C)CN(Cc2coc(-c3ccc(Br)cc3)n2)CC[N@@H+]1CCO ZINC000682037954 566140987 /nfs/dbraw/zinc/14/09/87/566140987.db2.gz LVZKMZJFOFDRDF-UHFFFAOYSA-N 1 0 394.313 2.993 20 0 GFADRO C[NH+]1CCC(n2cc(NC(=O)c3cc(O)cc(Br)c3)cn2)CC1 ZINC000634098380 566143445 /nfs/dbraw/zinc/14/34/45/566143445.db2.gz ZDXLNKLSUGDRIU-UHFFFAOYSA-N 1 0 379.258 2.870 20 0 GFADRO C[NH+](C)[C@]1(CNC(=O)Cc2ccc(Br)cc2F)CCSC1 ZINC000611927986 566145834 /nfs/dbraw/zinc/14/58/34/566145834.db2.gz GNBOHXIYFKJLNF-HNNXBMFYSA-N 1 0 375.307 2.684 20 0 GFADRO O[C@@H](COc1cc(F)cc(Br)c1)C[N@@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000682187387 566146978 /nfs/dbraw/zinc/14/69/78/566146978.db2.gz UEQBWDANOZAPHZ-IUODEOHRSA-N 1 0 398.276 2.931 20 0 GFADRO Cc1c(Br)cccc1NC(=O)C(=O)N[C@@H](C)C1CC[NH+](C)CC1 ZINC000682193122 566147187 /nfs/dbraw/zinc/14/71/87/566147187.db2.gz WPXIFQODGGGFHH-LBPRGKRZSA-N 1 0 382.302 2.543 20 0 GFADRO C[C@@](CO)([NH2+]C[C@H](O)COc1cc(F)cc(Br)c1)c1ccccc1 ZINC000682219402 566147942 /nfs/dbraw/zinc/14/79/42/566147942.db2.gz XMTXSJAKMFJDIP-WMZOPIPTSA-N 1 0 398.272 2.825 20 0 GFADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)Nc1cc(Cl)c(OC)c(Cl)c1 ZINC000682273952 566149543 /nfs/dbraw/zinc/14/95/43/566149543.db2.gz UXWLFKCMHZVVKY-NSHDSACASA-N 1 0 388.295 2.931 20 0 GFADRO Cc1cccc(NC(=O)C(=O)N2CCCC23CC[NH+](C)CC3)c1Br ZINC000682289911 566150713 /nfs/dbraw/zinc/15/07/13/566150713.db2.gz HCCHWDGOMMZVKP-UHFFFAOYSA-N 1 0 394.313 2.783 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)N1CCC[C@H]([NH2+]C(C)C)C1 ZINC000682357024 566151497 /nfs/dbraw/zinc/15/14/97/566151497.db2.gz ZJYIVRLHGRKGNM-HNNXBMFYSA-N 1 0 396.329 2.993 20 0 GFADRO CO[C@H](C[NH2+][C@H]1CCN(c2ccc(Br)c(C)c2)C1=O)[C@H]1CCOC1 ZINC000656675930 566154358 /nfs/dbraw/zinc/15/43/58/566154358.db2.gz FAAARXPUTJEGQX-RRQGHBQHSA-N 1 0 397.313 2.504 20 0 GFADRO CS(=O)(=O)CC1(CC[NH2+]C[C@H](O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000656705645 566155866 /nfs/dbraw/zinc/15/58/66/566155866.db2.gz RTBROFPQIBIXSY-LBPRGKRZSA-N 1 0 396.336 2.538 20 0 GFADRO COc1cccc(OC)c1C[NH2+]C[C@@H](O)COc1ccc(Br)cc1 ZINC000656703738 566156070 /nfs/dbraw/zinc/15/60/70/566156070.db2.gz CZSLBBARAANIEH-CQSZACIVSA-N 1 0 396.281 2.996 20 0 GFADRO Cn1ncc(C2CC2)c1C[NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000656710541 566156184 /nfs/dbraw/zinc/15/61/84/566156184.db2.gz JMCLFTGUHOSGRN-CQSZACIVSA-N 1 0 398.276 2.729 20 0 GFADRO O=S1(=O)CC(CC[NH2+][C@H](c2ccc(Br)cc2)[C@@H]2CCCO2)C1 ZINC000682498688 566158293 /nfs/dbraw/zinc/15/82/93/566158293.db2.gz OJZCEBGTYNFZGR-JKSUJKDBSA-N 1 0 388.327 2.694 20 0 GFADRO CC1(C)CN(C(=O)Cc2ccc(Br)c(Cl)c2)CC[N@@H+]1CCO ZINC000682533402 566161285 /nfs/dbraw/zinc/16/12/85/566161285.db2.gz AZKKMODAZMUWAF-UHFFFAOYSA-N 1 0 389.721 2.560 20 0 GFADRO C[C@@H](CCc1ccc(Br)cc1)[NH2+]C[C@@H](O)CC1(O)CCOCC1 ZINC000634644030 566163289 /nfs/dbraw/zinc/16/32/89/566163289.db2.gz NFUSKIZPTOKPQR-YOEHRIQHSA-N 1 0 386.330 2.652 20 0 GFADRO O[C@H](C[NH2+]CCCOc1ccc(Cl)cc1Cl)CC1(O)CCOCC1 ZINC000634700819 566170591 /nfs/dbraw/zinc/17/05/91/566170591.db2.gz FYEJDUHJKQYYKD-AWEZNQCLSA-N 1 0 378.296 2.644 20 0 GFADRO CC[C@H](Cc1ccccc1Br)[NH2+]C[C@H](O)CC1(O)CCOCC1 ZINC000634707145 566170900 /nfs/dbraw/zinc/17/09/00/566170900.db2.gz ALVGCHGWZLGQCO-HZPDHXFCSA-N 1 0 386.330 2.652 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CC[NH2+]C[C@@H](O)C[C@@](C)(O)C1CC1 ZINC000634703052 566170913 /nfs/dbraw/zinc/17/09/13/566170913.db2.gz OSXSULLCHAHHEK-MAUKXSAKSA-N 1 0 399.329 2.588 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CC[NH2+]C[C@H](O)C[C@](C)(O)C1CC1 ZINC000634703053 566171301 /nfs/dbraw/zinc/17/13/01/566171301.db2.gz OSXSULLCHAHHEK-QAPCUYQASA-N 1 0 399.329 2.588 20 0 GFADRO O[C@@H](C[NH2+][C@H]1C[C@H](c2ccc(Br)cc2)C1)CC1(O)CCOCC1 ZINC000634713863 566172170 /nfs/dbraw/zinc/17/21/70/566172170.db2.gz BVABKTAJOUHXFS-DJIMGWMZSA-N 1 0 384.314 2.577 20 0 GFADRO O[C@@H](C[NH2+]C1CCN([C@@H]2CCOC2)CC1)COc1cc(Cl)cc(Cl)c1 ZINC000634722658 566173122 /nfs/dbraw/zinc/17/31/22/566173122.db2.gz SFKHDTSWLAXMBF-SJORKVTESA-N 1 0 389.323 2.576 20 0 GFADRO Brc1c[nH]c(-c2nnc(N3CC[NH+](C4CC4)CC3)n2CC2CC2)c1 ZINC000612744656 566173496 /nfs/dbraw/zinc/17/34/96/566173496.db2.gz DLOARMGJAQKCMF-UHFFFAOYSA-N 1 0 391.317 2.730 20 0 GFADRO C[C@@]1(NC(=O)N[C@@H]2CCCN(c3ccc(Cl)cc3Cl)C2=O)CC[NH2+]C1 ZINC000612905633 566179197 /nfs/dbraw/zinc/17/91/97/566179197.db2.gz WQGITLJJDLOXRT-CXAGYDPISA-N 1 0 385.295 2.540 20 0 GFADRO O=C(N[C@@H]1CC12CC[NH2+]CC2)N1CCO[C@H](c2cccc(Br)c2)C1 ZINC000612970707 566180225 /nfs/dbraw/zinc/18/02/25/566180225.db2.gz LFKWRIDRHKHCBD-JKSUJKDBSA-N 1 0 394.313 2.674 20 0 GFADRO COc1ccc(Br)c(CN(C)C(=O)N[C@H]2CC23CC[NH2+]CC3)c1 ZINC000612986262 566181294 /nfs/dbraw/zinc/18/12/94/566181294.db2.gz PIIAHHWYNLRZRW-HNNXBMFYSA-N 1 0 382.302 2.741 20 0 GFADRO O=C(N[C@@H](c1cncc(Br)c1)C1CC1)N[C@@H]1CC12CC[NH2+]CC2 ZINC000612988016 566181423 /nfs/dbraw/zinc/18/14/23/566181423.db2.gz BCVSGQASMHEBNZ-HUUCEWRRSA-N 1 0 379.302 2.737 20 0 GFADRO CC[NH+](CC)CC1CCN(S(=O)(=O)c2ncccc2Br)CC1 ZINC000656913384 566182038 /nfs/dbraw/zinc/18/20/38/566182038.db2.gz AAZYJQCQDCPGKL-UHFFFAOYSA-N 1 0 390.347 2.587 20 0 GFADRO COc1cc(Br)ccc1CCC[NH2+][C@@H]1CCCS(=O)(=O)CC1 ZINC000634975598 566185983 /nfs/dbraw/zinc/18/59/83/566185983.db2.gz BXELJSKYFQTTGF-OAHLLOKOSA-N 1 0 390.343 2.947 20 0 GFADRO COc1cc(Br)c2nc(N3CCC[C@@H]([NH+](C)C)C3)nc(N)c2c1 ZINC000683185666 566187820 /nfs/dbraw/zinc/18/78/20/566187820.db2.gz ZWCIDKARSYQRIR-SNVBAGLBSA-N 1 0 380.290 2.514 20 0 GFADRO CCC(=O)N1CCC([NH2+]C[C@H](CO)Cc2ccc(Br)cc2)CC1 ZINC000683205818 566188470 /nfs/dbraw/zinc/18/84/70/566188470.db2.gz JHWKDCYZSLUCTD-OAHLLOKOSA-N 1 0 383.330 2.591 20 0 GFADRO CS(=O)(=O)c1ccc(C[NH2+]Cc2ccccc2-n2cncn2)cc1Cl ZINC000683205366 566188730 /nfs/dbraw/zinc/18/87/30/566188730.db2.gz PMDSGKDSINGSBS-UHFFFAOYSA-N 1 0 376.869 2.614 20 0 GFADRO CN(C(=O)c1cccc(Br)c1F)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000683243746 566189766 /nfs/dbraw/zinc/18/97/66/566189766.db2.gz HHEPJTRTFZGXAY-AWEZNQCLSA-N 1 0 398.320 2.829 20 0 GFADRO Cc1nc(-c2cccs2)c(CC(=O)NC2(CCO)CC[NH+](C)CC2)s1 ZINC000613301051 566192561 /nfs/dbraw/zinc/19/25/61/566192561.db2.gz ONFCCEPFZNIUND-UHFFFAOYSA-N 1 0 379.551 2.686 20 0 GFADRO COc1ccc([C@@H](C[NH+](C)C)NC(=O)C(=O)Nc2cscc2Cl)cc1 ZINC000635157644 566196476 /nfs/dbraw/zinc/19/64/76/566196476.db2.gz MQIGOMXSJDGVKD-CQSZACIVSA-N 1 0 381.885 2.768 20 0 GFADRO C[C@@H]1C[N@@H+](CCCNC(=O)c2cc(F)c(Cl)c(N)c2Cl)C[C@H](C)O1 ZINC000635170507 566197932 /nfs/dbraw/zinc/19/79/32/566197932.db2.gz GFHHRCAUQRZLJP-AOOOYVTPSA-N 1 0 378.275 2.944 20 0 GFADRO C[NH+]1CCN(Cc2ccc(NC(=O)c3ncc(Br)s3)cc2)CC1 ZINC000683404277 566198684 /nfs/dbraw/zinc/19/86/84/566198684.db2.gz LLMDOFZWTSWQNS-UHFFFAOYSA-N 1 0 395.326 2.905 20 0 GFADRO C[N@@H+]1CC[C@H](CC(=O)NC[C@H]2CCN(c3ccc(Br)cc3)C2)C1 ZINC000635393973 566210060 /nfs/dbraw/zinc/21/00/60/566210060.db2.gz DCVYCGOIKPCMNU-HUUCEWRRSA-N 1 0 380.330 2.733 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@H]1CNS(=O)(=O)Cc1ccccc1Br ZINC000657036056 566210761 /nfs/dbraw/zinc/21/07/61/566210761.db2.gz YBHUOSBTFZKOBI-ZDUSSCGKSA-N 1 0 375.332 2.741 20 0 GFADRO Cc1cccc(S(=O)(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)c1Br ZINC000657061853 566215408 /nfs/dbraw/zinc/21/54/08/566215408.db2.gz PNYIBFKIOLFUMF-GFCCVEGCSA-N 1 0 375.332 2.909 20 0 GFADRO COc1cc(Br)c(CNC(=O)C23CCC[NH+](CCC2)C3)cc1OC ZINC000635479520 566216236 /nfs/dbraw/zinc/21/62/36/566216236.db2.gz OQGBKCSERUFBIA-UHFFFAOYSA-N 1 0 397.313 2.959 20 0 GFADRO C[NH+](C)C[C@]1(O)CCCN(C(=O)c2csc(-c3ccc(Cl)cc3)n2)C1 ZINC000683909754 566218457 /nfs/dbraw/zinc/21/84/57/566218457.db2.gz CZAHWIQXIVELTH-GOSISDBHSA-N 1 0 379.913 2.992 20 0 GFADRO C[NH+](C)C[C@]1(O)CCCN(C(=O)c2csc(-c3ccccc3Cl)n2)C1 ZINC000683914597 566218848 /nfs/dbraw/zinc/21/88/48/566218848.db2.gz YFCXJAUOIHCANG-GOSISDBHSA-N 1 0 379.913 2.992 20 0 GFADRO C[C@@H](Cc1ccc(Br)cc1)C(=O)N1CCC[C@](O)(C[NH+](C)C)C1 ZINC000683912827 566218898 /nfs/dbraw/zinc/21/88/98/566218898.db2.gz NXPFNSIYOKHFSR-KSSFIOAISA-N 1 0 383.330 2.543 20 0 GFADRO Cc1nc(CS(=O)(=O)N(CC[NH+](C)C)Cc2ccc(F)c(F)c2)cs1 ZINC000684098061 566225893 /nfs/dbraw/zinc/22/58/93/566225893.db2.gz CBODFNSZRUYGEF-UHFFFAOYSA-N 1 0 389.493 2.623 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)N1CCOc2c(Br)cccc2C1 ZINC000684253510 566230815 /nfs/dbraw/zinc/23/08/15/566230815.db2.gz AUIQPNAOUKSMCW-CVEARBPZSA-N 1 0 394.313 2.980 20 0 GFADRO CC(C)C[C@@H]([NH2+]CC(=O)N1CCN(C)CC1)c1cccc(Br)c1 ZINC000684552967 566238200 /nfs/dbraw/zinc/23/82/00/566238200.db2.gz WNYGXEJUIBHQKI-QGZVFWFLSA-N 1 0 382.346 2.900 20 0 GFADRO CN(CCC[NH2+][C@H](c1ccc(Br)cc1F)C1CC1)S(C)(=O)=O ZINC000684550137 566238250 /nfs/dbraw/zinc/23/82/50/566238250.db2.gz PTIYIKKCNFHYNU-HNNXBMFYSA-N 1 0 393.322 2.910 20 0 GFADRO C[C@@H](N[C@@H]1CC[N@H+](CC2CC2)C1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000684553752 566238288 /nfs/dbraw/zinc/23/82/88/566238288.db2.gz UHFOEOVXOJNXBY-ZYHUDNBSSA-N 1 0 392.352 2.776 20 0 GFADRO CC[NH+](CC)CCN(CCC(F)(F)F)S(=O)(=O)c1cccc(OC)c1 ZINC000684580965 566239506 /nfs/dbraw/zinc/23/95/06/566239506.db2.gz IXRRWSQIZJJKRZ-UHFFFAOYSA-N 1 0 382.448 2.980 20 0 GFADRO Fc1ccc(Cl)c2c1ncc(-c1nn[nH]n1)c2N1CC[NH+](C2CCC2)CC1 ZINC000737660843 598829157 /nfs/dbraw/zinc/82/91/57/598829157.db2.gz SKGZKTPQAQBOSS-UHFFFAOYSA-N 1 0 387.850 2.882 20 0 GFADRO Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)n1C[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000737523196 598851591 /nfs/dbraw/zinc/85/15/91/598851591.db2.gz HPIBZLFNUFVZMG-IBGZPJMESA-N 1 0 386.463 2.881 20 0 GFADRO OCC[N@H+](CCOc1ccc(-c2nn[nH]n2)cc1)[C@H]1CCCc2ccccc21 ZINC000738393695 598897759 /nfs/dbraw/zinc/89/77/59/598897759.db2.gz MKCMJCPQAUETRP-FQEVSTJZSA-N 1 0 379.464 2.617 20 0 GFADRO O[C@H]1CCCC[C@H]1[NH2+]Cc1cccc(OCc2cccc(-c3nn[nH]n3)c2)c1 ZINC000738391633 598901047 /nfs/dbraw/zinc/90/10/47/598901047.db2.gz YOLYSZQMHFZQDK-UXHICEINSA-N 1 0 379.464 2.839 20 0 GFADRO O=C1[C@H]([N@@H+]2CCC[C@@]3(CC=CCC3)C2)CCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000738290132 598919282 /nfs/dbraw/zinc/91/92/82/598919282.db2.gz NEMQPHXUDNBSAW-NQIIRXRSSA-N 1 0 378.480 2.794 20 0 GFADRO CC1CC[NH+](C[C@@H]2CCCN(c3ncc(-c4nn[nH]n4)cc3Cl)C2)CC1 ZINC000736277451 598939713 /nfs/dbraw/zinc/93/97/13/598939713.db2.gz WLOSRQXEXXNEKX-AWEZNQCLSA-N 1 0 375.908 2.863 20 0 GFADRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1CCOc1ccc(-c2nn[nH]n2)cc1 ZINC000736290613 598992894 /nfs/dbraw/zinc/99/28/94/598992894.db2.gz RTCXNOMYEHVHRT-GOSISDBHSA-N 1 0 392.507 2.842 20 0 GFADRO CC(C)CC[N@@H+]1Cc2cccc(NC(=O)c3ccc(-c4nn[nH]n4)nc3)c2C1 ZINC000735811750 599001375 /nfs/dbraw/zinc/00/13/75/599001375.db2.gz SWKVVOIMFBYFIZ-UHFFFAOYSA-N 1 0 377.452 2.876 20 0 GFADRO CN(C)c1ccccc1C[N@@H+]1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736778835 599031070 /nfs/dbraw/zinc/03/10/70/599031070.db2.gz GMZMUVQQFYUEMO-UHFFFAOYSA-N 1 0 391.523 2.641 20 0 GFADRO CCC(CC)(CNC(=O)c1ccc(-c2nn[nH]n2)nc1)[NH2+][C@@H](C)c1ccccc1 ZINC000736333573 599033156 /nfs/dbraw/zinc/03/31/56/599033156.db2.gz AUOGPWMEKFQNCZ-HNNXBMFYSA-N 1 0 393.495 2.901 20 0 GFADRO O=C(OCc1cccc(-c2nn[nH]n2)c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000738232189 599057644 /nfs/dbraw/zinc/05/76/44/599057644.db2.gz ICHXRAIMBUTMAC-UHFFFAOYSA-N 1 0 377.448 2.822 20 0 GFADRO NC(=O)[C@@H](c1ccc(-c2nn[nH]n2)cc1)[N@@H+]1CCC[C@H](c2ccccc2)CC1 ZINC000737739971 599073690 /nfs/dbraw/zinc/07/36/90/599073690.db2.gz SBEIWWYQVVFBTA-QFBILLFUSA-N 1 0 376.464 2.663 20 0 GFADRO C[C@@H]([NH2+][C@@H]1CCCN(c2cccc(F)c2)C1=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000736134941 599090852 /nfs/dbraw/zinc/09/08/52/599090852.db2.gz WPLRSOJNEVLOBR-FZKQIMNGSA-N 1 0 380.427 2.852 20 0 GFADRO CC(C)[C@H]([NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1ccccc1Cl ZINC000735733273 599101405 /nfs/dbraw/zinc/10/14/05/599101405.db2.gz GXRKJBCRZOAOCM-LRDDRELGSA-N 1 0 386.891 2.745 20 0 GFADRO Cc1cc(N(C)[C@H]2CCC[N@H+](C)C2)n2c3ccccc3nc2c1-c1nn[nH]n1 ZINC000737269690 599120620 /nfs/dbraw/zinc/12/06/20/599120620.db2.gz GUXLUYBXSDKZLR-AWEZNQCLSA-N 1 0 376.468 2.506 20 0 GFADRO C[C@@H]1C[N@H+](C[C@@H](O)COc2ccc(-c3nn[nH]n3)cc2)CC[C@H]1c1ccccc1 ZINC000736285561 599144067 /nfs/dbraw/zinc/14/40/67/599144067.db2.gz KSPKYKFPQUKEPI-OZOXKJRCSA-N 1 0 393.491 2.732 20 0 GFADRO COc1ccc(-c2nn[nH]n2)cc1NC(=O)N1CC[NH+](C2CCC(C)CC2)CC1 ZINC000737064723 599145531 /nfs/dbraw/zinc/14/55/31/599145531.db2.gz YNSVYOPQVKGOIU-UHFFFAOYSA-N 1 0 399.499 2.604 20 0 GFADRO C[C@@H]1C[N@@H+]([C@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)CC[C@@H]1c1ccccc1 ZINC000736289539 599147178 /nfs/dbraw/zinc/14/71/78/599147178.db2.gz DIDXRZJUBWEWAM-CCKFTAQKSA-N 1 0 376.464 2.519 20 0 GFADRO O=C(C[NH+]1CCc2ccccc2CC1)Nc1cc(Cl)ccc1-c1nn[nH]n1 ZINC000737883648 599175916 /nfs/dbraw/zinc/17/59/16/599175916.db2.gz HZPMBGNRMYDJJP-UHFFFAOYSA-N 1 0 382.855 2.559 20 0 GFADRO C[C@H]1CN(C(=O)c2cccc(Nc3ccc(-c4nn[nH]n4)cc3)c2)C[C@@H]1[NH+](C)C ZINC000820742704 599200910 /nfs/dbraw/zinc/20/09/10/599200910.db2.gz MCHSBOUOCHUJMI-LIRRHRJNSA-N 1 0 391.479 2.632 20 0 GFADRO CC[NH+](CC)[C@H]1CCN(C(=S)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)C1 ZINC000821181707 599230633 /nfs/dbraw/zinc/23/06/33/599230633.db2.gz OVPJKPODICYSKD-LBPRGKRZSA-N 1 0 379.921 2.633 20 0 GFADRO CC(C)Oc1ccc(-c2nn[nH]n2)cc1NC(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000820152479 599261885 /nfs/dbraw/zinc/26/18/85/599261885.db2.gz ZINUJLTXFCBWRF-DZGCQCFKSA-N 1 0 387.488 2.600 20 0 GFADRO Cc1c(NC(=O)NCc2ccc(F)c(C[NH+](C)C)c2)cccc1-c1nn[nH]n1 ZINC000822103698 607292690 /nfs/dbraw/zinc/29/26/90/607292690.db2.gz KENFVMUFVIAAEH-UHFFFAOYSA-N 1 0 383.431 2.698 20 0 GFADRO CC[C@H](C)[N@H+](C)CCNC(=O)Nc1ccc(-c2nn[nH]n2)c(C(F)(F)F)c1 ZINC000820876183 599286210 /nfs/dbraw/zinc/28/62/10/599286210.db2.gz MVXZNEZVQQFSPN-JTQLQIEISA-N 1 0 385.394 2.737 20 0 GFADRO O=C(CCCC[NH+]1CCCC1)N1CCC(Oc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000737826213 598230979 /nfs/dbraw/zinc/23/09/79/598230979.db2.gz RFIOAGPZKNMOLP-UHFFFAOYSA-N 1 0 398.511 2.503 20 0 GFADRO Fc1cc(-c2nn[nH]n2)ccc1NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000737641154 598237466 /nfs/dbraw/zinc/23/74/66/598237466.db2.gz TVFWBULJMXNXEW-UHFFFAOYSA-N 1 0 395.486 2.626 20 0 GFADRO O=C(CC[N@H+]1CC[C@@H](c2cccc(F)c2)C1)Nc1sccc1-c1nn[nH]n1 ZINC000737838148 598252869 /nfs/dbraw/zinc/25/28/69/598252869.db2.gz JIYVWDARXIQASA-CYBMUJFWSA-N 1 0 386.456 2.885 20 0 GFADRO O=C(Nc1ccc(F)cc1)C1CC[NH+](Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000738166410 598301214 /nfs/dbraw/zinc/30/12/14/598301214.db2.gz TWKXIYZEDOEIBJ-UHFFFAOYSA-N 1 0 380.427 2.857 20 0 GFADRO CC[NH+](CC)[C@@H](C(=O)NCc1ccc(-c2nn[nH]n2)cc1F)c1ccccc1 ZINC000736532857 598321701 /nfs/dbraw/zinc/32/17/01/598321701.db2.gz DPCFBIXUJPLOBH-GOSISDBHSA-N 1 0 382.443 2.705 20 0 GFADRO CC[NH+]1CCC(CNC(=S)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)CC1 ZINC000736565565 598323736 /nfs/dbraw/zinc/32/37/36/598323736.db2.gz LRRPRPCVDLNVBL-UHFFFAOYSA-N 1 0 379.921 2.538 20 0 GFADRO C[C@H]([NH2+]Cc1cnc2c(-c3nn[nH]n3)cnn2c1)c1csc2ccccc12 ZINC000736135229 598369316 /nfs/dbraw/zinc/36/93/16/598369316.db2.gz OEQQZEBKLMPDAM-NSHDSACASA-N 1 0 376.449 2.975 20 0 GFADRO Cc1nc(C)c([C@H](C)[N@H+](C)CCC(=O)Nc2ccc(-c3nn[nH]n3)cc2)s1 ZINC000737469920 598407380 /nfs/dbraw/zinc/40/73/80/598407380.db2.gz DZCWLNOWKVLYJS-LBPRGKRZSA-N 1 0 385.497 2.962 20 0 GFADRO Cc1nc(C)c([C@H](C)[N@H+](C)CCC(=O)Nc2ccccc2-c2nn[nH]n2)s1 ZINC000737471429 598407409 /nfs/dbraw/zinc/40/74/09/598407409.db2.gz QKYABAOUMMEHTJ-LBPRGKRZSA-N 1 0 385.497 2.962 20 0 GFADRO Cc1ccc(F)c(C(=O)N(CC[NH+](C)C)Cc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000737343427 598418449 /nfs/dbraw/zinc/41/84/49/598418449.db2.gz PBEIKDKJWHNCKB-UHFFFAOYSA-N 1 0 382.443 2.518 20 0 GFADRO C[NH+](C)CCCOc1ccc(NC(=O)CCc2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000736768014 598424438 /nfs/dbraw/zinc/42/44/38/598424438.db2.gz VROPVUQSAQUJBS-UHFFFAOYSA-N 1 0 394.479 2.769 20 0 GFADRO CC(C)N(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)NCC[N@@H+]1CCC[C@H](C)C1 ZINC000736265654 598428656 /nfs/dbraw/zinc/42/86/56/598428656.db2.gz KUUHIMVLDPDTOR-INIZCTEOSA-N 1 0 385.516 2.519 20 0 GFADRO CN(C(=O)OC(C)(C)C)C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2F)CC1 ZINC000736749230 598428723 /nfs/dbraw/zinc/42/87/23/598428723.db2.gz OEHCPDZPQDRBHO-UHFFFAOYSA-N 1 0 390.463 2.837 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)c1ccc(-c2nn[nH]n2)cn1 ZINC000736268866 598444184 /nfs/dbraw/zinc/44/41/84/598444184.db2.gz UQKZNQFLPLSYBG-OAHLLOKOSA-N 1 0 391.479 2.566 20 0 GFADRO CC(C)CC[N@@H+]1Cc2cccc(NC(=O)c3ccc(-c4nn[nH]n4)cn3)c2C1 ZINC000735811659 598452650 /nfs/dbraw/zinc/45/26/50/598452650.db2.gz PRCXSGAFOCIKOT-UHFFFAOYSA-N 1 0 377.452 2.876 20 0 GFADRO O[C@@H](COc1ccc(-c2nn[nH]n2)cc1)C[N@@H+]1CCC[C@@H](c2ccccc2)CC1 ZINC000738387192 598463568 /nfs/dbraw/zinc/46/35/68/598463568.db2.gz OARHLEUPTZCBBN-UYAOXDASSA-N 1 0 393.491 2.876 20 0 GFADRO CCCc1ccc(C[NH2+]C2CCN(c3ccc(-c4nn[nH]n4)cn3)CC2)cc1 ZINC000736496839 598467819 /nfs/dbraw/zinc/46/78/19/598467819.db2.gz JEPFXXVBGHJYOD-UHFFFAOYSA-N 1 0 377.496 2.973 20 0 GFADRO C[C@@H]([NH2+]Cc1cnc2c(-c3nn[nH]n3)cnn2c1)c1ccc(Br)cc1 ZINC000737194682 598492376 /nfs/dbraw/zinc/49/23/76/598492376.db2.gz QKAROQNGDKADJP-SNVBAGLBSA-N 1 0 399.256 2.523 20 0 GFADRO CC(C)[N@H+](CC(=O)Nc1c(-c2nn[nH]n2)cnn1-c1ccccc1)C1CCCC1 ZINC000735859579 598504987 /nfs/dbraw/zinc/50/49/87/598504987.db2.gz XXCCWOZHXBAXQE-UHFFFAOYSA-N 1 0 394.483 2.644 20 0 GFADRO C[C@@H]([NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1ccc(C(C)(C)C)cc1 ZINC000736134584 598523047 /nfs/dbraw/zinc/52/30/47/598523047.db2.gz KQNPYVCVJMQSAF-KGLIPLIRSA-N 1 0 380.500 2.753 20 0 GFADRO CC(=O)Nc1cccc([C@@H](C)[NH2+]CCC(=O)Nc2sccc2-c2nn[nH]n2)c1 ZINC000735489427 598559605 /nfs/dbraw/zinc/55/96/05/598559605.db2.gz ZBWVNEUAMCNNIT-LLVKDONJSA-N 1 0 399.480 2.566 20 0 GFADRO c1ccc(-c2nn[nH]n2)c(COc2cccc(C[NH2+][C@@H]3CCN(C4CC4)C3)c2)c1 ZINC000738411642 598562745 /nfs/dbraw/zinc/56/27/45/598562745.db2.gz WJVUSBSDMNDXKZ-GOSISDBHSA-N 1 0 390.491 2.772 20 0 GFADRO O=C(CCc1ccc(-c2nn[nH]n2)cc1)NC[C@@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000737853240 598569970 /nfs/dbraw/zinc/56/99/70/598569970.db2.gz RIJPPWOJCYBRKA-FQEVSTJZSA-N 1 0 396.539 2.960 20 0 GFADRO C[N@H+](Cc1ccccc1-c1nn[nH]n1)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000736829133 598626850 /nfs/dbraw/zinc/62/68/50/598626850.db2.gz YZEWKKJIUBOMIR-QGZVFWFLSA-N 1 0 382.855 2.757 20 0 GFADRO CC[NH+](CC)[C@@H](CNC(=O)Nc1ccc(F)c(-c2nn[nH]n2)c1)c1ccco1 ZINC000736533419 598627653 /nfs/dbraw/zinc/62/76/53/598627653.db2.gz GNARTOLAKRYMJK-HNNXBMFYSA-N 1 0 387.419 2.803 20 0 GFADRO C[C@H](c1ccc(-n2cncn2)cc1)[N@H+](C)Cc1ccc(F)cc1-c1nn[nH]n1 ZINC000736202130 598677998 /nfs/dbraw/zinc/67/79/98/598677998.db2.gz ZLCVQTZQCHLOEW-CYBMUJFWSA-N 1 0 378.415 2.780 20 0 GFADRO Brc1ccc(N2CC[C@@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)cc1 ZINC000735368090 598697511 /nfs/dbraw/zinc/69/75/11/598697511.db2.gz FJBMUCUDYZCBEO-MRXNPFEDSA-N 1 0 399.296 2.998 20 0 GFADRO O=C(Nc1cccc(-c2nn[nH]n2)c1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000738177617 598698431 /nfs/dbraw/zinc/69/84/31/598698431.db2.gz BAVWVRCLKJKQJQ-MRXNPFEDSA-N 1 0 383.500 2.987 20 0 GFADRO C[C@H](c1ccc(-c2nn[nH]n2)cc1)[N@H+](C)CCn1cc(Br)cn1 ZINC000736197687 598700992 /nfs/dbraw/zinc/70/09/92/598700992.db2.gz NSEVJCTUWRZNPB-LLVKDONJSA-N 1 0 376.262 2.519 20 0 GFADRO c1cc(-c2nn[nH]n2)ccc1OCCN1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000738412975 598717541 /nfs/dbraw/zinc/71/75/41/598717541.db2.gz OWAPDXQRIYDXCD-GOSISDBHSA-N 1 0 384.528 2.834 20 0 GFADRO CC(C)[C@H](c1ccccc1)[N@H+](C)C[C@@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000735737118 598796178 /nfs/dbraw/zinc/79/61/78/598796178.db2.gz YYWGFWAVHUPULT-UYAOXDASSA-N 1 0 381.480 2.936 20 0 GFADRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(CCC(=O)Nc2ccccc2-c2nn[nH]n2)C1 ZINC000736238430 598809871 /nfs/dbraw/zinc/80/98/71/598809871.db2.gz VETDHJFTAPPYEK-BRWVUGGUSA-N 1 0 397.527 2.533 20 0 GFADRO C[C@H](NC(=O)NC[C@H](c1ccco1)[NH+]1CCCC1)c1cccc(-c2nn[nH]n2)c1 ZINC000820358390 599299274 /nfs/dbraw/zinc/29/92/74/599299274.db2.gz NEUUPJRAZMMIQG-WMLDXEAASA-N 1 0 395.467 2.657 20 0 GFADRO Cc1ccc(N2CCC[C@H]([N@@H+](C)[C@@H](C)c3ccc(-c4nn[nH]n4)cc3)C2)nn1 ZINC000737351666 599318107 /nfs/dbraw/zinc/31/81/07/599318107.db2.gz MQUFAWKGRFKNRS-YJBOKZPZSA-N 1 0 378.484 2.627 20 0 GFADRO C[NH+]1CCC(C(=O)Nc2cccc(OCc3cccc(-c4nn[nH]n4)c3)c2)CC1 ZINC000736846782 599318303 /nfs/dbraw/zinc/31/83/03/599318303.db2.gz BUZFSHUXKGAGNM-UHFFFAOYSA-N 1 0 392.463 2.726 20 0 GFADRO C[C@H](c1ccc(-c2nn[nH]n2)cc1)[NH+]1CCN(Cc2ccc(Cl)nc2)CC1 ZINC000736195994 599321311 /nfs/dbraw/zinc/32/13/11/599321311.db2.gz ILSQBNPYGHCCAN-CQSZACIVSA-N 1 0 383.887 2.794 20 0 GFADRO C[C@@H]1SCC[N@H+](CCC(=O)Nc2sc3c(c2-c2nn[nH]n2)CCC3)[C@H]1C ZINC000736301521 599321655 /nfs/dbraw/zinc/32/16/55/599321655.db2.gz OCUVDLPDXGBMOP-QWRGUYRKSA-N 1 0 392.554 2.571 20 0 GFADRO C[C@H]1SCC[N@H+](CCC(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)[C@@H]1C ZINC000736301501 599322111 /nfs/dbraw/zinc/32/21/11/599322111.db2.gz NVEUUGIEJUIMAN-GHMZBOCLSA-N 1 0 380.905 2.675 20 0 GFADRO COc1ccccc1[C@H](C)NC(=O)[C@@H](C)[NH2+][C@H](C)c1cccc(-c2nn[nH]n2)c1 ZINC000821882451 599387261 /nfs/dbraw/zinc/38/72/61/599387261.db2.gz BBEDNAVMKNFWPR-QLFBSQMISA-N 1 0 394.479 2.792 20 0 GFADRO COc1ccc(OC)c(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2cccc(-c3nn[nH]n3)c2)c1 ZINC000821843017 599389300 /nfs/dbraw/zinc/38/93/00/599389300.db2.gz XQROLCKCGMCFBT-QWHCGFSZSA-N 1 0 396.451 2.562 20 0 GFADRO C[C@@H]([NH2+][C@@H](C)C(=O)N(C)Cc1cccc(F)c1)c1cccc(-c2nn[nH]n2)c1 ZINC000820414514 599390016 /nfs/dbraw/zinc/39/00/16/599390016.db2.gz YTMXBQHLRQVFPH-KGLIPLIRSA-N 1 0 382.443 2.704 20 0 GFADRO COc1ccc(C[NH2+]C[C@@H](c2ccco2)N2CCCCC2)cc1-c1nn[nH]n1 ZINC000821808353 599394362 /nfs/dbraw/zinc/39/43/62/599394362.db2.gz FJBZRZKHSYXTJU-KRWDZBQOSA-N 1 0 382.468 2.785 20 0 GFADRO C[C@H]1C[NH+](C(C)(C)CNc2cc(-c3nn[nH]n3)c3ccccc3n2)C[C@H](C)O1 ZINC000736292982 599401619 /nfs/dbraw/zinc/40/16/19/599401619.db2.gz SJKXAMJTUHIGKT-KBPBESRZSA-N 1 0 381.484 2.715 20 0 GFADRO COc1cc(C[NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)ccc1OC(F)F ZINC000821716627 599456010 /nfs/dbraw/zinc/45/60/10/599456010.db2.gz CTMYETJBHMYPFN-UHFFFAOYSA-N 1 0 379.342 2.906 20 0 GFADRO C[C@@H](C(=O)Nc1cccc(-c2nn[nH]n2)c1)[N@@H+]1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000735558946 599477232 /nfs/dbraw/zinc/47/72/32/599477232.db2.gz IBRVFEMFZRHGCN-GOEBONIOSA-N 1 0 394.454 2.897 20 0 GFADRO C[C@@H](Cc1ccc(Cl)cc1)[N@H+](C)CC(=O)NCc1cccc(-c2nn[nH]n2)c1 ZINC000736056823 599477296 /nfs/dbraw/zinc/47/72/96/599477296.db2.gz QYYQQFLPIFMCPM-AWEZNQCLSA-N 1 0 398.898 2.699 20 0 GFADRO O=C(CC[N@H+]1CC[C@H](Cc2ccc(F)cc2)C1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000737838196 599478716 /nfs/dbraw/zinc/47/87/16/599478716.db2.gz KEWRUOOKSNSCOO-MRXNPFEDSA-N 1 0 394.454 2.899 20 0 GFADRO Cc1ccc([C@@H](CNc2c(-c3nn[nH]n3)cnc3ccccc32)[NH+]2CCCC2)o1 ZINC000822230666 599517122 /nfs/dbraw/zinc/51/71/22/599517122.db2.gz NAZICHKWYKXTNC-GOSISDBHSA-N 1 0 389.463 2.987 20 0 GFADRO O[C@H](C[NH+]1CCC(CNc2ccc(-c3nn[nH]n3)cc2F)CC1)c1ccccc1 ZINC000823674872 599536280 /nfs/dbraw/zinc/53/62/80/599536280.db2.gz SOMFLWOYORKJEG-HXUWFJFHSA-N 1 0 396.470 2.863 20 0 GFADRO c1ccc(C[N@H+]2CCC[C@@H]2CNc2c(-c3nn[nH]n3)cnc3ccccc32)cc1 ZINC000823779419 599558767 /nfs/dbraw/zinc/55/87/67/599558767.db2.gz DADHSDIBZZGBJQ-QGZVFWFLSA-N 1 0 385.475 2.913 20 0 GFADRO C[NH+](C)CC(C)(C)CNC(=O)c1cccc(Nc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000736765044 599562842 /nfs/dbraw/zinc/56/28/42/599562842.db2.gz SXRCAOMVXBGCMH-UHFFFAOYSA-N 1 0 393.495 2.928 20 0 GFADRO COCC[N@H+](CCC(=O)Nc1cccc(-c2nn[nH]n2)c1)[C@@H](C)c1ccccc1 ZINC000821689053 599636820 /nfs/dbraw/zinc/63/68/20/599636820.db2.gz JEOIOSTULSSZRD-INIZCTEOSA-N 1 0 394.479 2.905 20 0 GFADRO O=C(CC[N@H+]1CCC[C@@H]1c1ccc(O)cc1)Nc1cccc(-c2nn[nH]n2)c1 ZINC000822964566 599637255 /nfs/dbraw/zinc/63/72/55/599637255.db2.gz JVWYIPOVJUDUCR-GOSISDBHSA-N 1 0 378.436 2.738 20 0 GFADRO C[N@H+](CC(=O)Nc1cccc(OCc2cccc(-c3nn[nH]n3)c2)c1)C1CCC1 ZINC000821594010 599641770 /nfs/dbraw/zinc/64/17/70/599641770.db2.gz UGDNBYDMOSTDSD-UHFFFAOYSA-N 1 0 392.463 2.869 20 0 GFADRO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@@H+](C)C2CCC2)c1-c1nn[nH]n1 ZINC000822015081 599641845 /nfs/dbraw/zinc/64/18/45/599641845.db2.gz BWEBRVZQWMRWKM-UHFFFAOYSA-N 1 0 397.458 2.836 20 0 GFADRO CC[C@H]1C[N@H+](CCC(=O)Nc2sc3c(c2-c2nn[nH]n2)CCC3)CCS1 ZINC000820994595 599645802 /nfs/dbraw/zinc/64/58/02/599645802.db2.gz IZUFXDOCJIOOGN-NSHDSACASA-N 1 0 392.554 2.573 20 0 GFADRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N[C@H](C)c1cccc(-c2nn[nH]n2)c1 ZINC000820650606 599672528 /nfs/dbraw/zinc/67/25/28/599672528.db2.gz VZZDPPKKOBRFIL-QKPAOTATSA-N 1 0 385.516 2.593 20 0 GFADRO CC[C@H](C)C[C@@H](C)NC(=O)N(CC[NH+](C)C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000820869214 599678610 /nfs/dbraw/zinc/67/86/10/599678610.db2.gz DZWIMSHVTNODCV-JKSUJKDBSA-N 1 0 387.532 2.765 20 0 GFADRO CC(C)Oc1ccc(NC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)cc1-c1nn[nH]n1 ZINC000820164079 607423508 /nfs/dbraw/zinc/42/35/08/607423508.db2.gz CGKNRPIVFHVISR-ZDUSSCGKSA-N 1 0 389.504 2.752 20 0 GFADRO Cc1cc(-c2nn[nH]n2)ccc1C(=O)N(c1ccccc1)C1CC[NH+](C)CC1 ZINC000826244209 607430306 /nfs/dbraw/zinc/43/03/06/607430306.db2.gz KPGAAJGOUXTBRC-UHFFFAOYSA-N 1 0 376.464 2.916 20 0 GFADRO C[C@@H]1CCC[C@](CNC(=O)NC2(c3cccc(-c4nn[nH]n4)c3)CC2)([NH+](C)C)C1 ZINC000824926609 607453331 /nfs/dbraw/zinc/45/33/31/607453331.db2.gz KGBPTOHNJPXWLR-QRWLVFNGSA-N 1 0 397.527 2.666 20 0 GFADRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)NC2(c3cccc(-c4nn[nH]n4)c3)CC2)C1 ZINC000824261195 607459760 /nfs/dbraw/zinc/45/97/60/607459760.db2.gz DVMQNFPBEJJCKW-INIZCTEOSA-N 1 0 397.527 2.523 20 0 GFADRO COc1ccc(C2([NH2+]Cc3cc(-c4nn[nH]n4)ccc3OC)CCOCC2)cc1 ZINC000826189718 607464703 /nfs/dbraw/zinc/46/47/03/607464703.db2.gz CHUFVNHPKURQGM-UHFFFAOYSA-N 1 0 395.463 2.679 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@@H+]1Cc1ccc(F)cc1-c1nn[nH]n1 ZINC000824892664 607474653 /nfs/dbraw/zinc/47/46/53/607474653.db2.gz LLQOSIGRGPIIMX-IUODEOHRSA-N 1 0 390.463 2.883 20 0 GFADRO Fc1cc(-c2nn[nH]n2)ccc1C[NH2+]Cc1cccc(COC2CCOCC2)c1 ZINC000822744185 607481109 /nfs/dbraw/zinc/48/11/09/607481109.db2.gz NUMWPYUEVLESJK-UHFFFAOYSA-N 1 0 397.454 2.991 20 0 GFADRO c1cc(OCCC[N@@H+]2CC[C@H]3[C@H](CCCN3C3CC3)C2)cc(-c2nn[nH]n2)c1 ZINC000826517967 607478950 /nfs/dbraw/zinc/47/89/50/607478950.db2.gz WWNPEDYTIXGFQU-XLIONFOSSA-N 1 0 382.512 2.584 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1sc(C)c(C)c1C(=O)[O-] ZINC000829765354 601036179 /nfs/dbraw/zinc/03/61/79/601036179.db2.gz QMQAUZAEFDMKGE-OAHLLOKOSA-N 1 0 396.557 2.943 20 0 GFADRO COc1ccc(C[NH+]2CCC(NC(=O)CC3CCCC3)CC2)cc1-c1nn[nH]n1 ZINC000826194587 607499537 /nfs/dbraw/zinc/49/95/37/607499537.db2.gz PYJXEWFZYUOGDM-UHFFFAOYSA-N 1 0 398.511 2.536 20 0 GFADRO COc1ccc(-c2nn[nH]n2)cc1C[NH+]1CCC(NC(=O)CC2CCCC2)CC1 ZINC000826182599 607526993 /nfs/dbraw/zinc/52/69/93/607526993.db2.gz OTXHAZIOTOBKOA-UHFFFAOYSA-N 1 0 398.511 2.536 20 0 GFADRO Cc1cc(-c2nn[nH]n2)ccc1C(=O)N(CCCc1ccccc1)CC[NH+](C)C ZINC000826244354 607673428 /nfs/dbraw/zinc/67/34/28/607673428.db2.gz PAVUYJDKKPGCNX-UHFFFAOYSA-N 1 0 392.507 2.812 20 0 GFADRO C[C@@H](c1ccncc1)[NH+]1CCC(Nc2ncc(-c3nn[nH]n3)cc2Cl)CC1 ZINC000824778956 607679618 /nfs/dbraw/zinc/67/96/18/607679618.db2.gz RKYJGHLEOUUCCV-LBPRGKRZSA-N 1 0 384.875 2.948 20 0 GFADRO Cc1cccc(CN(CC[NH+](C)C)C(=O)c2ccc(-c3nn[nH]n3)cc2C)c1 ZINC000826298540 607685337 /nfs/dbraw/zinc/68/53/37/607685337.db2.gz XQYDWHWUIWNBOV-UHFFFAOYSA-N 1 0 378.480 2.688 20 0 GFADRO COc1cc(OC)c(OC)cc1C[NH2+]C1(c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000826181376 607704453 /nfs/dbraw/zinc/70/44/53/607704453.db2.gz WPVFKSAJRSMPLT-UHFFFAOYSA-N 1 0 381.436 2.671 20 0 GFADRO CC(C)(C[NH2+]C1CC[NH+](CCCC(=O)[O-])CC1)c1ccc2c(c1)OCCO2 ZINC000833458332 605221770 /nfs/dbraw/zinc/22/17/70/605221770.db2.gz NPPSEGKRXAXMMG-UHFFFAOYSA-N 1 0 376.497 2.654 20 0 GFADRO O=C([O-])CCC[NH+]1CCC([NH2+]CCOc2cccc(Br)c2)CC1 ZINC000833773428 605226219 /nfs/dbraw/zinc/22/62/19/605226219.db2.gz MYVRFPOYGVKPAZ-UHFFFAOYSA-N 1 0 385.302 2.747 20 0 GFADRO O=C([O-])N1CCc2cccc(C[NH2+]Cc3ccccc3C[N@H+]3CC[C@H](O)C3)c21 ZINC000834120295 605898350 /nfs/dbraw/zinc/89/83/50/605898350.db2.gz KZYJMFBJBHYGPS-FQEVSTJZSA-N 1 0 381.476 2.584 20 0 GFADRO CC[N@H+](CCCO)Cc1ccc(OCc2cccc(-c3nn[nH]n3)c2)c(OC)c1 ZINC000821215112 606092560 /nfs/dbraw/zinc/09/25/60/606092560.db2.gz NQFAZKOXPSEBHD-UHFFFAOYSA-N 1 0 397.479 2.659 20 0 GFADRO CC[C@H](C)[N@H+](C)CCC(=O)Nc1c(-c2nn[nH]n2)c(C)c(C)n1Cc1ccco1 ZINC000820875774 606111181 /nfs/dbraw/zinc/11/11/81/606111181.db2.gz FLPVMZXAENTYIC-ZDUSSCGKSA-N 1 0 399.499 2.985 20 0 GFADRO Fc1ccc(N2CCC([NH2+]CCOc3ccccc3)CC2)c(-c2nn[nH]n2)c1 ZINC000822779002 606126605 /nfs/dbraw/zinc/12/66/05/606126605.db2.gz RAVLLFYRSGXCOE-UHFFFAOYSA-N 1 0 382.443 2.643 20 0 GFADRO CC[C@H]1c2ccsc2CC[N@H+]1C[C@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000821000376 606130799 /nfs/dbraw/zinc/13/07/99/606130799.db2.gz DJYISTNONULLKL-YOEHRIQHSA-N 1 0 385.493 2.677 20 0 GFADRO C[C@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000820722669 606153755 /nfs/dbraw/zinc/15/37/55/606153755.db2.gz LIYMUTNVBPFNJO-INIZCTEOSA-N 1 0 391.479 2.995 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)c2ccc(-c3nn[nH]n3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000820658332 606187821 /nfs/dbraw/zinc/18/78/21/606187821.db2.gz ROWZOPKROHQJPA-BEFAXECRSA-N 1 0 376.464 2.650 20 0 GFADRO C[C@H]1C[C@H](NC(=O)Cc2cccc(-c3nn[nH]n3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000820658364 606188092 /nfs/dbraw/zinc/18/80/92/606188092.db2.gz RPXBMKBBUDTJQL-OXJNMPFZSA-N 1 0 390.491 2.579 20 0 GFADRO CC(C)(CCc1ccccc1)[NH2+]C[C@@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000819981222 606198021 /nfs/dbraw/zinc/19/80/21/606198021.db2.gz RQTRFWXDLLAXJV-GOSISDBHSA-N 1 0 381.480 2.607 20 0 GFADRO COc1cccc(-c2noc([C@H](C)NCc3cc(-c4nn[nH]n4)cs3)n2)c1 ZINC000821854688 606223171 /nfs/dbraw/zinc/22/31/71/606223171.db2.gz RSRZRLIYAXIBLR-JTQLQIEISA-N 1 0 383.437 2.838 20 0 GFADRO C[N@@H+]1CCC[C@H](NC(=O)c2ccc(Sc3ccccc3-c3nn[nH]n3)cc2)C1 ZINC000821624057 606260504 /nfs/dbraw/zinc/26/05/04/606260504.db2.gz YLWPCGYOXRSNCT-HNNXBMFYSA-N 1 0 394.504 2.842 20 0 GFADRO O=S(=O)(CC[NH2+][C@@H]1CC[C@H]2CCCC[C@@H]2C1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823561134 606308329 /nfs/dbraw/zinc/30/83/29/606308329.db2.gz AEDLIEKYSDTRJU-DJIMGWMZSA-N 1 0 389.525 2.589 20 0 GFADRO COC(=O)[C@H](c1cccc(-c2nn[nH]n2)c1)[N@@H+]1CC[C@H](c2ccccc2C)C1 ZINC000821651649 606319194 /nfs/dbraw/zinc/31/91/94/606319194.db2.gz CZTGTNRITNNAMG-HKUYNNGSSA-N 1 0 377.448 2.879 20 0 GFADRO C[C@@H]1C[C@@H](c2ccccc2)C[N@@H+]1[C@H]1CCN(c2sccc2-c2nn[nH]n2)C1=O ZINC000820666746 606322732 /nfs/dbraw/zinc/32/27/32/606322732.db2.gz JIDRPEVAMYQEIR-UNEWFSDZSA-N 1 0 394.504 2.912 20 0 GFADRO COC(=O)[C@H](c1ccc(-c2nn[nH]n2)cc1)[N@@H+]1CC[C@@H](c2ccccc2)[C@@H]1C ZINC000821649974 606336446 /nfs/dbraw/zinc/33/64/46/606336446.db2.gz HLRLFRWOIVTIEU-KYNGSXCRSA-N 1 0 377.448 2.959 20 0 GFADRO O=C(NC[C@H]1CCC[N@@H+]1Cc1ccccc1)Nc1ccc(F)cc1-c1nn[nH]n1 ZINC000823176065 606358269 /nfs/dbraw/zinc/35/82/69/606358269.db2.gz PMUDHNLPQZUBHF-MRXNPFEDSA-N 1 0 395.442 2.792 20 0 GFADRO C[C@H](NC(=O)NC1CC[NH+](C2CCCC2)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000820360453 606381791 /nfs/dbraw/zinc/38/17/91/606381791.db2.gz YXCKSEBCBRSKJQ-AWEZNQCLSA-N 1 0 383.500 2.634 20 0 GFADRO C[C@H]1CC(C)(C)C[C@@](CO)([NH2+]Cc2nnc(-c3ccc(-c4nn[nH]n4)cc3)o2)C1 ZINC000820650665 606434242 /nfs/dbraw/zinc/43/42/42/606434242.db2.gz XGZOEUOYHLQXCF-RBZFPXEDSA-N 1 0 397.483 2.584 20 0 GFADRO OCC1CC[NH+](Cc2ccccc2NCc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000823715650 606456202 /nfs/dbraw/zinc/45/62/02/606456202.db2.gz WGMBTELYOFHHBT-UHFFFAOYSA-N 1 0 378.480 2.683 20 0 GFADRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc(-c2nn[nH]n2)c1)[C@H]1Oc2ccccc2[C@H]1C ZINC000820402327 606472083 /nfs/dbraw/zinc/47/20/83/606472083.db2.gz CTQCGJXJVPQKJZ-PXWIGAEESA-N 1 0 392.463 2.737 20 0 GFADRO O=C(Cc1cccc(-c2nn[nH]n2)c1)NCc1ccccc1C[NH+]1CCCCC1 ZINC000823097812 606497963 /nfs/dbraw/zinc/49/79/63/606497963.db2.gz CKUGKAJVBXKTOL-UHFFFAOYSA-N 1 0 390.491 2.712 20 0 GFADRO C[C@@H]1C[NH+](CCC(=O)Nc2sc3c(c2-c2nn[nH]n2)CC[C@@H](C)C3)C[C@H]1C ZINC000820727941 606503734 /nfs/dbraw/zinc/50/37/34/606503734.db2.gz QVKAUBRQKWSELH-JHJVBQTASA-N 1 0 388.541 2.969 20 0 GFADRO CC[NH+](CC)[C@H](CNC(=O)c1ccc(-c2nn[nH]n2)s1)Cc1ccccc1 ZINC000821180763 606524442 /nfs/dbraw/zinc/52/44/42/606524442.db2.gz HBMFAJBVEOIDEN-HNNXBMFYSA-N 1 0 384.509 2.611 20 0 GFADRO CCC1(CNC(=O)N2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)CCC1 ZINC000820962146 606533888 /nfs/dbraw/zinc/53/38/88/606533888.db2.gz KTKCRVUHKMBBKJ-UHFFFAOYSA-N 1 0 397.527 2.664 20 0 GFADRO O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)c1cc(-c2nn[nH]n2)cs1 ZINC000823249499 606535672 /nfs/dbraw/zinc/53/56/72/606535672.db2.gz BCAJBMONFLPTKH-UHFFFAOYSA-N 1 0 382.493 2.844 20 0 GFADRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccc(-c2nn[nH]n2)s1 ZINC000821596186 606577967 /nfs/dbraw/zinc/57/79/67/606577967.db2.gz BYEKAWWKRAHWNH-OAHLLOKOSA-N 1 0 382.493 2.522 20 0 GFADRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000820758815 606582136 /nfs/dbraw/zinc/58/21/36/606582136.db2.gz DFHOKVXHZLCFQU-KXBFYZLASA-N 1 0 376.464 2.507 20 0 GFADRO C[C@@H](NC(=O)N(CC[NH+](C)C)Cc1cccs1)c1cccc(-c2nn[nH]n2)c1 ZINC000820339847 606587464 /nfs/dbraw/zinc/58/74/64/606587464.db2.gz HCDMYDLABYVCCJ-CQSZACIVSA-N 1 0 399.524 2.763 20 0 GFADRO C[C@@H]([NH2+][C@H]1CCN(c2cccc(Cl)c2)C1=O)c1cccc(-c2nn[nH]n2)c1 ZINC000820418543 606624400 /nfs/dbraw/zinc/62/44/00/606624400.db2.gz BGJXDPHYJMKYIQ-PXAZEXFGSA-N 1 0 382.855 2.976 20 0 GFADRO C[C@](CO)([NH2+]Cc1cccc(OCc2ccccc2-c2nn[nH]n2)c1)C1CC1 ZINC000820280270 606634985 /nfs/dbraw/zinc/63/49/85/606634985.db2.gz CGDACSJBSXWFKM-OAQYLSRUSA-N 1 0 379.464 2.696 20 0 GFADRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)C1 ZINC000820684034 606675890 /nfs/dbraw/zinc/67/58/90/606675890.db2.gz LFZPBXNYTRLGMD-MBNYWOFBSA-N 1 0 390.438 2.622 20 0 GFADRO C[C@H](C(=O)Nc1cccc(-c2nn[nH]n2)c1)[N@@H+]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000819877046 606713842 /nfs/dbraw/zinc/71/38/42/606713842.db2.gz NPXCVDNCEGMRQQ-CZUORRHYSA-N 1 0 380.427 2.822 20 0 GFADRO COC(=O)[C@H]1C[N@H+](Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)C[C@@H]1C ZINC000821657082 606716379 /nfs/dbraw/zinc/71/63/79/606716379.db2.gz GVNBEBZGWIFYSH-LIRRHRJNSA-N 1 0 377.448 2.775 20 0 GFADRO O=C(CC[N@H+]1CC[C@H](c2ccc(F)cc2)C1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000822964602 606717284 /nfs/dbraw/zinc/71/72/84/606717284.db2.gz LNCMRIDHEFNWBU-INIZCTEOSA-N 1 0 380.427 2.824 20 0 GFADRO C[C@]1(c2ccccc2)CC[N@@H+]([C@H]2CCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)C1 ZINC000820635998 606717786 /nfs/dbraw/zinc/71/77/86/606717786.db2.gz OJPNGPLDOFEAFX-UGKGYDQZSA-N 1 0 388.475 2.636 20 0 GFADRO C[C@@]1(c2ccccc2)CC[N@H+](CCC(=O)Nc2sccc2-c2nn[nH]n2)C1 ZINC000820635261 606717791 /nfs/dbraw/zinc/71/77/91/606717791.db2.gz LHCWAIZDZIXDST-LJQANCHMSA-N 1 0 382.493 2.920 20 0 GFADRO C[C@@]1(c2ccccc2)CC[N@H+](CCC(=O)Nc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000820634138 606718013 /nfs/dbraw/zinc/71/80/13/606718013.db2.gz FPAWYLPYRBPXTA-OAQYLSRUSA-N 1 0 376.464 2.859 20 0 GFADRO C[C@]1(c2ccccc2)CC[N@H+](CCC(=O)Nc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000820634132 606718131 /nfs/dbraw/zinc/71/81/31/606718131.db2.gz FPAWYLPYRBPXTA-NRFANRHFSA-N 1 0 376.464 2.859 20 0 GFADRO Cc1cc(-c2nn[nH]n2)ccc1Oc1ccc(C(=O)N2CCC[N@@H+](C)CC2)cc1 ZINC000822138150 606776062 /nfs/dbraw/zinc/77/60/62/606776062.db2.gz ZTVUOIAHJARZKX-UHFFFAOYSA-N 1 0 392.463 2.745 20 0 GFADRO C[N@@H+](Cc1ccc(Br)s1)C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821609827 606848731 /nfs/dbraw/zinc/84/87/31/606848731.db2.gz NRPUSQNTJZVHEV-CYBMUJFWSA-N 1 0 394.298 2.856 20 0 GFADRO O=C(c1ccc(F)cc1)[C@H]1CCC[N@@H+](C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000823487693 606862537 /nfs/dbraw/zinc/86/25/37/606862537.db2.gz GFYGTQIUVSEHSW-PKOBYXMFSA-N 1 0 395.438 2.634 20 0 GFADRO COc1ccc2c(c1)CCC[C@H]2[N@H+](C)C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821850141 606889775 /nfs/dbraw/zinc/88/97/75/606889775.db2.gz XCSCDAFLDIHOGK-WOJBJXKFSA-N 1 0 379.464 2.918 20 0 GFADRO O[C@H](C[N@@H+](Cc1cccc(F)c1)C[C@@H]1CCCO1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823675717 606890626 /nfs/dbraw/zinc/89/06/26/606890626.db2.gz YZMZDBDARIJNIV-VQTJNVASSA-N 1 0 397.454 2.720 20 0 GFADRO Cc1csc(N2CC[N@@H+](CCCOc3cccc(-c4nn[nH]n4)c3)C[C@@H]2C)n1 ZINC000822414632 606895844 /nfs/dbraw/zinc/89/58/44/606895844.db2.gz NVXNHPCNTIUFOF-HNNXBMFYSA-N 1 0 399.524 2.611 20 0 GFADRO O[C@H](C[C@@H]1CCC[N@@H+]1C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1)c1cccs1 ZINC000823682832 606910477 /nfs/dbraw/zinc/91/04/77/606910477.db2.gz VIDPJBSTGWLMNB-GVDBMIGSSA-N 1 0 385.493 2.550 20 0 GFADRO C[C@@H](c1ccc(-n2cncn2)cc1)[N@H+](C)Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC000820563451 606959077 /nfs/dbraw/zinc/95/90/77/606959077.db2.gz QWMVHQTVCZRREQ-ZDUSSCGKSA-N 1 0 378.415 2.780 20 0 GFADRO COc1cc(OC)cc(N2CCC[N@H+](Cc3cccc(-c4nn[nH]n4)c3)CC2)c1 ZINC000821723497 606982530 /nfs/dbraw/zinc/98/25/30/606982530.db2.gz BMUYNHZSAINAND-UHFFFAOYSA-N 1 0 394.479 2.596 20 0 GFADRO O[C@@H](C[C@@H]1CCC[N@@H+]1CCCOc1ccc(-c2nn[nH]n2)cc1)c1ccco1 ZINC000823675464 606986589 /nfs/dbraw/zinc/98/65/89/606986589.db2.gz WYHRCRHBVXCJQI-WMZOPIPTSA-N 1 0 383.452 2.817 20 0 GFADRO C[C@H]([NH2+]Cc1cccc(-c2nn[nH]n2)c1)c1ccc(-n2cncn2)cc1Cl ZINC000820433520 606996740 /nfs/dbraw/zinc/99/67/40/606996740.db2.gz YKONVSWUGPZQHJ-LBPRGKRZSA-N 1 0 380.843 2.952 20 0 GFADRO C[C@H](CC(=O)NCCc1ccccc1)[NH2+][C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000820226330 607015089 /nfs/dbraw/zinc/01/50/89/607015089.db2.gz UXNSYGFNGFPREN-CVEARBPZSA-N 1 0 378.480 2.655 20 0 GFADRO C[NH+](C)CCc1ccc(NC(=O)C(C)(C)Oc2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000821587307 607021506 /nfs/dbraw/zinc/02/15/06/607021506.db2.gz QGFQXUZCBZVCPF-UHFFFAOYSA-N 1 0 394.479 2.767 20 0 GFADRO C[C@H]1CC[C@@H](CC(=O)N2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC000820683767 607022966 /nfs/dbraw/zinc/02/29/66/607022966.db2.gz HCFBGXXWHKHUBR-FUHWJXTLSA-N 1 0 382.512 2.727 20 0 GFADRO C[N@@H+]1CCC[C@@H]2CN(c3c(-c4nn[nH]n4)cnc4c(F)cc(F)cc43)CC[C@@H]21 ZINC000821625920 607030691 /nfs/dbraw/zinc/03/06/91/607030691.db2.gz YLXRQKLQNDBSBY-BZNIZROVSA-N 1 0 385.422 2.614 20 0 GFADRO C[C@@H]([NH2+]C1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1)c1cc(F)ccc1F ZINC000820410781 607045848 /nfs/dbraw/zinc/04/58/48/607045848.db2.gz GSKNCZJBULVMNZ-GFCCVEGCSA-N 1 0 385.422 2.860 20 0 GFADRO c1cc2c(s1)CCC[C@H]2[NH2+]C1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1 ZINC000823767162 607048716 /nfs/dbraw/zinc/04/87/16/607048716.db2.gz OBIWHRHUGDHTIB-MRXNPFEDSA-N 1 0 381.509 2.959 20 0 GFADRO Cc1cccc([C@H]2CCC[N@@H+]2CCC(=O)Nc2sccc2-c2nn[nH]n2)n1 ZINC000822299290 607075125 /nfs/dbraw/zinc/07/51/25/607075125.db2.gz DOJOQPITOOIMIM-OAHLLOKOSA-N 1 0 383.481 2.797 20 0 GFADRO C[C@H](NC(=O)Nc1ccc(-c2nn[nH]n2)c(C(F)(F)F)c1)C(C)(C)C[NH+](C)C ZINC000820375210 607093551 /nfs/dbraw/zinc/09/35/51/607093551.db2.gz ZYOQSVXADSRQIS-JTQLQIEISA-N 1 0 399.421 2.983 20 0 GFADRO O=C(CC[N@@H+]1CCC[C@H](Nc2ccccc2)C1)Nc1ccccc1-c1nn[nH]n1 ZINC000822965073 607178136 /nfs/dbraw/zinc/17/81/36/607178136.db2.gz ZCCJFPUIRLTCTH-KRWDZBQOSA-N 1 0 391.479 2.772 20 0 GFADRO C[C@@H](CNC(=O)Nc1ccc(-c2nn[nH]n2)cc1Cl)[N@@H+]1CCCC[C@@H]1C ZINC000820706003 607199680 /nfs/dbraw/zinc/19/96/80/607199680.db2.gz XJVLNLHFEFCJNQ-RYUDHWBXSA-N 1 0 377.880 2.905 20 0 GFADRO Cc1c[nH+]ccc1N1CCC(C(=O)Oc2ccc(-c3nn[nH]n3)cc2F)CC1 ZINC000822400118 607248138 /nfs/dbraw/zinc/24/81/38/607248138.db2.gz WYZIUJSCGSBXFG-UHFFFAOYSA-N 1 0 382.399 2.531 20 0 GFADRO CC1CC[NH+](C2CCC(NC(=O)NCc3cccc(-c4nn[nH]n4)c3)CC2)CC1 ZINC000824956604 607781363 /nfs/dbraw/zinc/78/13/63/607781363.db2.gz UAHDTKIABOLZKM-UHFFFAOYSA-N 1 0 397.527 2.709 20 0 GFADRO CCc1ccc([C@@H](C)[NH2+]CCS(=O)(=O)c2cccc(-c3nn[nH]n3)c2)cc1 ZINC000825705222 607814582 /nfs/dbraw/zinc/81/45/82/607814582.db2.gz ZCPRDHYCFQAGNP-CQSZACIVSA-N 1 0 385.493 2.554 20 0 GFADRO CCC1(CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC[NH+](Cc2ccccc2)CC1 ZINC000825171475 607817673 /nfs/dbraw/zinc/81/76/73/607817673.db2.gz QQEUFJUHIOWGAT-UHFFFAOYSA-N 1 0 393.495 2.617 20 0 GFADRO C[N@H+](Cc1ccccc1)CC(C)(C)NC(=O)C=Cc1ccccc1-c1nn[nH]n1 ZINC000825980492 607824984 /nfs/dbraw/zinc/82/49/84/607824984.db2.gz BKQXLVKEUFCAFI-BUHFOSPRSA-N 1 0 390.491 2.907 20 0 GFADRO CC(C)[N@H+](CCc1nccs1)Cc1nnc(-c2ccc(-c3nn[nH]n3)cc2)o1 ZINC000824293551 607831837 /nfs/dbraw/zinc/83/18/37/607831837.db2.gz RMTLSEUTBLFHGD-UHFFFAOYSA-N 1 0 396.480 2.826 20 0 GFADRO CC[N@H+](Cc1cccc(C(=O)OC)c1-c1nn[nH]n1)[C@@H](C)c1cccc(O)c1 ZINC000825435267 607924186 /nfs/dbraw/zinc/92/41/86/607924186.db2.gz RPVPQYSPOHJGQX-ZDUSSCGKSA-N 1 0 381.436 2.942 20 0 GFADRO C[C@H]([NH2+]C[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824577127 607983427 /nfs/dbraw/zinc/98/34/27/607983427.db2.gz GXPBINBOBVKQBJ-RDJZCZTQSA-N 1 0 376.464 2.566 20 0 GFADRO CCC[N@H+](C)C[C@H]1CCN(c2ccc(-c3nn[nH]n3)cc2Br)C1 ZINC000825301823 607990842 /nfs/dbraw/zinc/99/08/42/607990842.db2.gz PHMCSVQYMUNNBL-GFCCVEGCSA-N 1 0 379.306 2.797 20 0 GFADRO COc1ccc(C[C@H](C)C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)cc1OC ZINC000826191740 608101856 /nfs/dbraw/zinc/10/18/56/608101856.db2.gz OOSOYCUVTMZWBW-ZDUSSCGKSA-N 1 0 385.443 2.991 20 0 GFADRO Cc1ccc([C@@H]2CC[N@@H+]([C@@H](C)C(=O)Nc3ccccc3-c3nn[nH]n3)C2)cc1 ZINC000826286094 608126681 /nfs/dbraw/zinc/12/66/81/608126681.db2.gz RXVNQUSMPBLQSY-DOTOQJQBSA-N 1 0 376.464 2.992 20 0 GFADRO Cc1cc(C)cc([C@@H]2CC[N@H+](CC(=O)NCc3ccc(-c4nn[nH]n4)cc3)C2)c1 ZINC000826264187 608129579 /nfs/dbraw/zinc/12/95/79/608129579.db2.gz FOCFFMHLLCNOQV-LJQANCHMSA-N 1 0 390.491 2.589 20 0 GFADRO C[C@@H]([NH2+]C[C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824576446 608132148 /nfs/dbraw/zinc/13/21/48/608132148.db2.gz AMCFHXBYYJFHES-OLZOCXBDSA-N 1 0 390.463 2.913 20 0 GFADRO COc1ccccc1[C@@H](CNc1nc(C)ccc1-c1nn[nH]n1)[NH+]1CCCC1 ZINC000826219282 608270485 /nfs/dbraw/zinc/27/04/85/608270485.db2.gz XIFLGZBGSQANNQ-QGZVFWFLSA-N 1 0 379.468 2.828 20 0 GFADRO c1cn(C[N@H+]2CCC[C@H](C[C@@H]3CCOC3)C2)nc1-c1ccc(-c2nn[nH]n2)cc1 ZINC000826513261 608298958 /nfs/dbraw/zinc/29/89/58/608298958.db2.gz GBYGSXHDHBXYNY-SJORKVTESA-N 1 0 393.495 2.826 20 0 GFADRO COCC[N@H+](C)CCCC1CCN(c2cccc(F)c2-c2nn[nH]n2)CC1 ZINC000826158007 608303905 /nfs/dbraw/zinc/30/39/05/608303905.db2.gz VYQMPJFIDWSTOU-UHFFFAOYSA-N 1 0 376.480 2.581 20 0 GFADRO C[C@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)Cc1cccc(-c2nn[nH]n2)c1 ZINC000824970418 608311311 /nfs/dbraw/zinc/31/13/11/608311311.db2.gz XCVLUCZXSZXLTI-IRXDYDNUSA-N 1 0 390.491 2.531 20 0 GFADRO Clc1ccccc1C[NH+]1CCC(CNc2ccc(-c3nn[nH]n3)nn2)CC1 ZINC000826353091 608416051 /nfs/dbraw/zinc/41/60/51/608416051.db2.gz ASGIRQOUEJWUKF-UHFFFAOYSA-N 1 0 384.875 2.634 20 0 GFADRO CC(C)Oc1ccc([C@@H](C)[NH2+]CC(=O)Nc2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000824324406 608437797 /nfs/dbraw/zinc/43/77/97/608437797.db2.gz NTEGJAHGTGAGFA-CQSZACIVSA-N 1 0 380.452 2.943 20 0 GFADRO C[C@@H]([NH2+]CC(=O)Nc1cccc(-c2nn[nH]n2)c1)c1ccc(OC(F)F)cc1 ZINC000824562268 608444168 /nfs/dbraw/zinc/44/41/68/608444168.db2.gz DOBCHCYRQTVHTE-LLVKDONJSA-N 1 0 388.378 2.757 20 0 GFADRO COc1ccc(-c2nn[nH]n2)cc1C[NH2+][C@@H](C)c1cc(OC)c(OC)c(OC)c1 ZINC000826184486 608449827 /nfs/dbraw/zinc/44/98/27/608449827.db2.gz YVENBFSZQLAGHR-LBPRGKRZSA-N 1 0 399.451 2.752 20 0 GFADRO C[C@@H]([NH2+]CC(=O)N1c2ccccc2CC[C@H]1C)c1ccc(-c2nn[nH]n2)cc1 ZINC000824555102 608466712 /nfs/dbraw/zinc/46/67/12/608466712.db2.gz USFKEFBSQWBJBA-HUUCEWRRSA-N 1 0 376.464 2.885 20 0 GFADRO CCCOc1cccc(CNC(=O)C[NH2+][C@@H](C)c2ccc(-c3nn[nH]n3)cc2)c1 ZINC000825341710 608468936 /nfs/dbraw/zinc/46/89/36/608468936.db2.gz IKJZXJRQXYWOGK-HNNXBMFYSA-N 1 0 394.479 2.623 20 0 GFADRO C[C@H]([NH2+]C[C@H](O)COc1ccc(-c2nn[nH]n2)cc1)C(C)(C)c1ccccc1 ZINC000824572031 608476921 /nfs/dbraw/zinc/47/69/21/608476921.db2.gz SEYBUJMCAHBSJR-YJBOKZPZSA-N 1 0 381.480 2.562 20 0 GFADRO CC(C)[C@@H](C(=O)N1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1)[NH+]1CCCCC1 ZINC000824184773 608479851 /nfs/dbraw/zinc/47/98/51/608479851.db2.gz LQTIBEJCCJBSAW-FQEVSTJZSA-N 1 0 394.523 2.993 20 0 GFADRO CCc1ccc(CN(C)C(=O)C[NH2+][C@H](C)c2cccc(-c3nn[nH]n3)c2)cc1 ZINC000825712138 608488864 /nfs/dbraw/zinc/48/88/64/608488864.db2.gz KUSUPBNXFFQUJY-OAHLLOKOSA-N 1 0 378.480 2.738 20 0 GFADRO COc1ccccc1[C@H](C)N(C)C(=O)C[NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1 ZINC000826219130 608488926 /nfs/dbraw/zinc/48/89/26/608488926.db2.gz UGTKVDQNVPZTBA-GJZGRUSLSA-N 1 0 394.479 2.746 20 0 GFADRO C[C@H]([NH2+]CCCOc1ccc(-c2nn[nH]n2)cc1)c1ccc2c(c1)CC(=O)N2C ZINC000824590621 608494619 /nfs/dbraw/zinc/49/46/19/608494619.db2.gz CGQAOIFORCNGCG-AWEZNQCLSA-N 1 0 392.463 2.505 20 0 GFADRO Cc1nccn1-c1ccc(C[NH2+][C@H]2CCCc3cc(-c4nn[nH]n4)ccc32)cn1 ZINC000826330833 608502782 /nfs/dbraw/zinc/50/27/82/608502782.db2.gz JXNGLAZFDDDQDG-IBGZPJMESA-N 1 0 386.463 2.923 20 0 GFADRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+][C@H]2CCCc3cc(-c4nn[nH]n4)ccc32)C1 ZINC000824103494 608510035 /nfs/dbraw/zinc/51/00/35/608510035.db2.gz CERNCTUQAUUYLF-RDJZCZTQSA-N 1 0 384.484 2.843 20 0 GFADRO COc1ccc(C2([NH2+]CCOc3ccc(-c4nn[nH]n4)cc3OC)CC2)cc1 ZINC000826189683 608522986 /nfs/dbraw/zinc/52/29/86/608522986.db2.gz BLBSROLWYOKDLL-UHFFFAOYSA-N 1 0 381.436 2.542 20 0 GFADRO O=C(C[NH2+]C1(c2cccc(-c3nn[nH]n3)c2)CC1)Nc1nc2ccccc2s1 ZINC000826412163 608531751 /nfs/dbraw/zinc/53/17/51/608531751.db2.gz DNPKERLBXNEAPJ-UHFFFAOYSA-N 1 0 391.460 2.694 20 0 GFADRO Cc1ccc(-c2nn[nH]n2)nc1N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000826280684 608542720 /nfs/dbraw/zinc/54/27/20/608542720.db2.gz LYYORIIGNOXTIH-UHFFFAOYSA-N 1 0 383.887 2.936 20 0 GFADRO C[C@@H]([NH2+]C[C@H](O)c1ccc(-c2nn[nH]n2)cc1)c1cccc(N2CCCC2)c1 ZINC000824569644 608554568 /nfs/dbraw/zinc/55/45/68/608554568.db2.gz JJVRLUBKNWARAR-QRWLVFNGSA-N 1 0 378.480 2.851 20 0 GFADRO Clc1ncccc1C[NH2+]C1CCC(Oc2ccc(-c3nn[nH]n3)cn2)CC1 ZINC000826354165 608570643 /nfs/dbraw/zinc/57/06/43/608570643.db2.gz RKUQQRCDHQXHEF-UHFFFAOYSA-N 1 0 385.859 2.790 20 0 GFADRO C[C@@H]([NH2+]CCCOc1cccc(-c2nn[nH]n2)c1)c1ccc([S@@](C)=O)cc1 ZINC000824591633 608579205 /nfs/dbraw/zinc/57/92/05/608579205.db2.gz JLQLJLODSZKITH-LOKFHWFJSA-N 1 0 385.493 2.724 20 0 GFADRO CC1(C)CCc2ccccc2[C@H]1[NH2+]C[C@@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000824807181 608579591 /nfs/dbraw/zinc/57/95/91/608579591.db2.gz FXNTWMLOSRIVPL-YLJYHZDGSA-N 1 0 393.491 2.910 20 0 GFADRO CC(C)(C)c1n[nH]cc1C[N@@H+]1CCCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000824136736 608584125 /nfs/dbraw/zinc/58/41/25/608584125.db2.gz VMJRPJHALPDWQF-UHFFFAOYSA-N 1 0 380.500 2.600 20 0 GFADRO CCOc1cccc(C[N@@H+]2CCCN(c3ccccc3-c3nn[nH]n3)CC2)c1 ZINC000825649129 608584828 /nfs/dbraw/zinc/58/48/28/608584828.db2.gz MDAZCTDKNMHFSB-UHFFFAOYSA-N 1 0 378.480 2.978 20 0 GFADRO O=C(C1CC[NH+](Cc2cc(-c3nn[nH]n3)cs2)CC1)N1CCc2ccccc21 ZINC000826399372 608637776 /nfs/dbraw/zinc/63/77/76/608637776.db2.gz UIZATDQTBZBFGE-UHFFFAOYSA-N 1 0 394.504 2.730 20 0 GFADRO COc1cccc(C2CC[NH+](Cc3cnc4ccc(-c5nn[nH]n5)cn34)CC2)c1 ZINC000826215112 608660238 /nfs/dbraw/zinc/66/02/38/608660238.db2.gz HHRFKMCOLZTWLM-UHFFFAOYSA-N 1 0 389.463 2.903 20 0 GFADRO O[C@@H](C[C@@H]1CCC[N@@H+]1Cc1cnc2ccc(-c3nn[nH]n3)cn12)c1cccs1 ZINC000826503410 608832616 /nfs/dbraw/zinc/83/26/16/608832616.db2.gz WZZLJVJBWQNMSH-HOCLYGCPSA-N 1 0 395.492 2.664 20 0 GFADRO C[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)C[N@@H+]1Cc1ccc(-c2nn[nH]n2)s1 ZINC000824884341 608845732 /nfs/dbraw/zinc/84/57/32/608845732.db2.gz NLAYMGQTIYLYSJ-VXGBXAGGSA-N 1 0 378.502 2.663 20 0 GFADRO CC[C@@H]1C[N@H+](Cc2cccc(OCc3cccc(-c4nn[nH]n4)c3)c2)C[C@H]1O ZINC000825211981 608849454 /nfs/dbraw/zinc/84/94/54/608849454.db2.gz PGBUNOVVMLEJCS-YLJYHZDGSA-N 1 0 379.464 2.648 20 0 GFADRO C[C@@H]([NH2+]Cc1cccc(CN2CCOCC2)c1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824618628 609133370 /nfs/dbraw/zinc/13/33/70/609133370.db2.gz QHMJMKDDRNENEJ-OAHLLOKOSA-N 1 0 396.470 2.689 20 0 GFADRO CC[C@@H]1CN(C(=O)C(C)C)CC[C@H]1[NH2+][C@@H](C)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000825204470 609148365 /nfs/dbraw/zinc/14/83/65/609148365.db2.gz RBTAKTCFFYTSNL-PMUMKWKESA-N 1 0 388.491 2.940 20 0 GFADRO C[C@H]1CC[C@@H](C(F)(F)F)C[N@@H+]1CCC(=O)Nc1sccc1-c1nn[nH]n1 ZINC000824906722 609148526 /nfs/dbraw/zinc/14/85/26/609148526.db2.gz DGXSGYXICFMWPZ-VHSXEESVSA-N 1 0 388.419 2.920 20 0 GFADRO C[C@H]([NH2+]CCCC(=O)N1Cc2ccccc2C1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824585254 609150523 /nfs/dbraw/zinc/15/05/23/609150523.db2.gz OPLBYENVQCKXSB-AWEZNQCLSA-N 1 0 394.454 2.979 20 0 GFADRO Cc1ccc(N2CC[C@@H]([NH2+][C@H](C)c3ccc(-c4nn[nH]n4)c(F)c3)C2=O)cc1 ZINC000826289549 609152344 /nfs/dbraw/zinc/15/23/44/609152344.db2.gz FINOLEBYLFPCDV-FZKQIMNGSA-N 1 0 380.427 2.770 20 0 GFADRO C[C@H]([NH2+]CCc1nnc(-c2ccccc2)o1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824607169 609153456 /nfs/dbraw/zinc/15/34/56/609153456.db2.gz VRGYUKRFXYIJMK-LBPRGKRZSA-N 1 0 379.399 2.949 20 0 GFADRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)c3c[nH]c(-c4nn[nH]n4)c3)cc2)C1 ZINC000824874305 609195676 /nfs/dbraw/zinc/19/56/76/609195676.db2.gz BWGVIMKXJNUNFU-HUUCEWRRSA-N 1 0 393.495 2.603 20 0 GFADRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC000824876121 609197814 /nfs/dbraw/zinc/19/78/14/609197814.db2.gz QHIRCMKLMSJIAE-GASCZTMLSA-N 1 0 393.495 2.603 20 0 GFADRO C[C@H](CC(=O)NCCc1ccccc1)[NH2+]C1(c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000824384991 609249700 /nfs/dbraw/zinc/24/97/00/609249700.db2.gz JHPFUGGBAUBGFX-MRXNPFEDSA-N 1 0 390.491 2.583 20 0 GFADRO C[C@H]([NH2+]C1(c2cccc(-c3nn[nH]n3)c2)CC1)c1cccc(NS(C)(=O)=O)c1 ZINC000824539622 609249989 /nfs/dbraw/zinc/24/99/89/609249989.db2.gz OTNIXSJCXGSENK-ZDUSSCGKSA-N 1 0 398.492 2.578 20 0 GFADRO C[C@H]([NH2+]C1(c2cccc(-c3nn[nH]n3)c2)CC1)c1ccc(NS(C)(=O)=O)cc1 ZINC000824539379 609250003 /nfs/dbraw/zinc/25/00/03/609250003.db2.gz NENWTBFQWLNPEM-ZDUSSCGKSA-N 1 0 398.492 2.578 20 0 GFADRO CCS(=O)(=O)c1ccc(C[NH2+][C@@H]2CCCc3cc(-c4nn[nH]n4)ccc32)cc1 ZINC000825669123 609256369 /nfs/dbraw/zinc/25/63/69/609256369.db2.gz QFARJZZDAMDOIV-LJQANCHMSA-N 1 0 397.504 2.828 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)c1ccc(Cl)c(-c2nn[nH]n2)c1)c1ccc(F)cc1 ZINC000825848861 609290393 /nfs/dbraw/zinc/29/03/93/609290393.db2.gz GSSYNTGYBFRBNU-INIZCTEOSA-N 1 0 388.834 2.692 20 0 GFADRO C[C@H](Nc1c2ccccc2nnc1-c1nn[nH]n1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000824649444 609313954 /nfs/dbraw/zinc/31/39/54/609313954.db2.gz MCNFUDQYPKWFNH-UONOGXRCSA-N 1 0 378.484 2.875 20 0 GFADRO C[C@H](NC(=O)N(C)Cc1cccc(-c2nn[nH]n2)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000824492054 609317805 /nfs/dbraw/zinc/31/78/05/609317805.db2.gz XETPNJRXMKLBDS-MAUKXSAKSA-N 1 0 397.527 2.661 20 0 GFADRO C[C@H]([NH2+]C[C@H]1CN(Cc2ccccc2)CCO1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824584539 609323110 /nfs/dbraw/zinc/32/31/10/609323110.db2.gz BUSYRLIOCYDZMV-YJBOKZPZSA-N 1 0 396.470 2.557 20 0 GFADRO COCc1ccc(C[NH2+]Cc2cn(C)nc2-c2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000826164729 609335167 /nfs/dbraw/zinc/33/51/67/609335167.db2.gz NGAZDWZIJBBOFK-UHFFFAOYSA-N 1 0 389.463 2.703 20 0 GFADRO CCc1cc(N2CCC([NH2+][C@@H](C)c3ccc(-c4nn[nH]n4)cc3F)CC2)ncn1 ZINC000825700629 609339293 /nfs/dbraw/zinc/33/92/93/609339293.db2.gz NAOZWOAKCHSLEC-ZDUSSCGKSA-N 1 0 396.474 2.678 20 0 GFADRO Cn1cc(C[NH2+]Cc2ccc3c(c2)COC3)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826361862 609343490 /nfs/dbraw/zinc/34/34/90/609343490.db2.gz SKWFKBXOPUJTGD-UHFFFAOYSA-N 1 0 387.447 2.587 20 0 GFADRO COc1cccc2[nH]cc(CC[NH2+]Cc3ccc(OC)c(-c4nn[nH]n4)c3)c21 ZINC000826202691 609348315 /nfs/dbraw/zinc/34/83/15/609348315.db2.gz IPETZOUDKUQYFB-UHFFFAOYSA-N 1 0 378.436 2.698 20 0 GFADRO COc1ccc(-c2nn[nH]n2)cc1NC(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000826185909 609353648 /nfs/dbraw/zinc/35/36/48/609353648.db2.gz XQUASKUQZYCMKH-UKRRQHHQSA-N 1 0 399.499 2.650 20 0 GFADRO C[NH+](C)C1CCN(C(=O)c2ccccc2Oc2ccccc2-c2nn[nH]n2)CC1 ZINC000825855855 609381474 /nfs/dbraw/zinc/38/14/74/609381474.db2.gz KXGBILHCJJSMSZ-UHFFFAOYSA-N 1 0 392.463 2.825 20 0 GFADRO C[C@@H]([NH2+][C@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O)c1ccccc1F ZINC000824546401 609411939 /nfs/dbraw/zinc/41/19/39/609411939.db2.gz ISHIUXUGKOXGAG-ACJLOTCBSA-N 1 0 380.427 2.852 20 0 GFADRO OC[C@@H]([NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)c1ccc(Br)cc1 ZINC000826508013 609427582 /nfs/dbraw/zinc/42/75/82/609427582.db2.gz BFCVHRFYXUOCGM-OAHLLOKOSA-N 1 0 392.232 2.592 20 0 GFADRO OC[C@@H]([NH2+]Cc1ccc(F)cc1-c1nn[nH]n1)c1cccc(Br)c1 ZINC000826508697 609428153 /nfs/dbraw/zinc/42/81/53/609428153.db2.gz ZJBWQYNCNVCAOZ-OAHLLOKOSA-N 1 0 392.232 2.592 20 0 GFADRO C[C@@H](C[N@H+](C)Cn1ccc(-c2ccc(-c3nn[nH]n3)cc2)n1)c1nccs1 ZINC000824412768 609501751 /nfs/dbraw/zinc/50/17/51/609501751.db2.gz FLZYQCNZPOHKNL-ZDUSSCGKSA-N 1 0 380.481 2.880 20 0 GFADRO Clc1ccccc1CCC[NH+]1CCN(c2cc(-c3nn[nH]n3)ccn2)CC1 ZINC000826353526 609515695 /nfs/dbraw/zinc/51/56/95/609515695.db2.gz SUINHWJAMBFESM-UHFFFAOYSA-N 1 0 383.887 2.670 20 0 GFADRO c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H](Nc4ccc(-c5nn[nH]n5)nc4)[C@@H]3C2)cc1 ZINC000826521689 609595380 /nfs/dbraw/zinc/59/53/80/609595380.db2.gz VTPNXQRJKOUNBM-QXAKKESOSA-N 1 0 375.480 2.974 20 0 GFADRO c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H](Nc4cccc(-c5nn[nH]n5)n4)[C@H]3C2)cc1 ZINC000826521168 609595660 /nfs/dbraw/zinc/59/56/60/609595660.db2.gz CFCVDJZSEFCKHP-OKZBNKHCSA-N 1 0 375.480 2.974 20 0 GFADRO O=C1[C@@H]([NH2+]Cc2cccc3[nH]ccc32)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476369 609601043 /nfs/dbraw/zinc/60/10/43/609601043.db2.gz GEPAVDGIBKRSEK-IBGZPJMESA-N 1 0 387.447 2.633 20 0 GFADRO C[C@H](NC(=O)Nc1ccn(CC[NH+](C)C)n1)c1nc(C(F)(F)F)cs1 ZINC000488531888 650747612 /nfs/dbraw/zinc/74/76/12/650747612.db2.gz MZZIFUVVZKTSCG-VIFPVBQESA-N 1 0 376.408 2.803 20 0 GFADRO CN(C[C@@H](O)COc1ccc(Cl)cc1Br)C[C@@H]1CCC[N@@H+]1C ZINC000817289728 660189255 /nfs/dbraw/zinc/18/92/55/660189255.db2.gz CPGAHYKJZNMSCT-UONOGXRCSA-N 1 0 391.737 2.868 20 0 GFADRO COCc1nc2n(n1)C[C@H]([NH2+][C@H](c1nc(Br)cs1)C1CC1)CC2 ZINC000817580333 660201540 /nfs/dbraw/zinc/20/15/40/660201540.db2.gz INJDKSKUMRGHNP-YGRLFVJLSA-N 1 0 398.330 2.699 20 0 GFADRO CC[NH+](CC)CCC[C@H](C)NC(=O)c1cccc(S(=O)(=O)C(F)F)c1 ZINC000817524420 660199405 /nfs/dbraw/zinc/19/94/05/660199405.db2.gz VYWJQSVCWREZJQ-ZDUSSCGKSA-N 1 0 376.469 2.923 20 0 GFADRO CN(C)S(=O)(=O)c1ccc(C[NH2+]C[C@H](O)c2ccc(F)cc2Cl)cc1 ZINC000818962696 660239040 /nfs/dbraw/zinc/23/90/40/660239040.db2.gz VRXJHKIRDDICAB-KRWDZBQOSA-N 1 0 386.876 2.553 20 0 GFADRO CCN(CC)S(=O)(=O)c1ccc(C[NH2+]C[C@@H](O)c2ccc(F)cc2)s1 ZINC000818945842 660236267 /nfs/dbraw/zinc/23/62/67/660236267.db2.gz RFPOJYAXXMEKOW-MRXNPFEDSA-N 1 0 386.514 2.741 20 0 GFADRO O[C@H](C[NH2+]CCc1nnc2n1CCCCC2)c1ccc(Br)cc1 ZINC000818946497 660236702 /nfs/dbraw/zinc/23/67/02/660236702.db2.gz PIAHROBWYNXHOQ-OAHLLOKOSA-N 1 0 379.302 2.633 20 0 GFADRO CC(C)NC(=O)CC[NH2+]C[C@](C)(O)c1ccc(Br)cc1Cl ZINC000818951371 660236986 /nfs/dbraw/zinc/23/69/86/660236986.db2.gz CTZFIIKVGYWJNF-HNNXBMFYSA-N 1 0 377.710 2.814 20 0 GFADRO O[C@H](C[NH2+]Cc1ccnc(N2CCOCC2)c1)c1cccc(Br)c1 ZINC000818952194 660237587 /nfs/dbraw/zinc/23/75/87/660237587.db2.gz XNCQCVFDTFORLX-QGZVFWFLSA-N 1 0 392.297 2.504 20 0 GFADRO CN(C[C@H](O)C[NH2+]Cc1sccc1Br)C(=O)OC(C)(C)C ZINC000818984779 660241709 /nfs/dbraw/zinc/24/17/09/660241709.db2.gz HAJSJSDWEPQQBM-SNVBAGLBSA-N 1 0 379.320 2.828 20 0 GFADRO CC(C)(C)OC(=O)CS(=O)(=O)CC[NH2+]CC1(c2ccc(Cl)cc2)CC1 ZINC000819009902 660243144 /nfs/dbraw/zinc/24/31/44/660243144.db2.gz VNZLHKOGGAPGHC-UHFFFAOYSA-N 1 0 387.929 2.718 20 0 GFADRO COC(=O)COc1cccc(C[NH2+]C[C@H](O)c2ccccc2Br)c1 ZINC000819075456 660245659 /nfs/dbraw/zinc/24/56/59/660245659.db2.gz KFDIPLWJGSDZQU-KRWDZBQOSA-N 1 0 394.265 2.824 20 0 GFADRO CCc1cc(C[NH2+]C[C@@H](O)COc2ccc(Cl)cc2Br)[nH]n1 ZINC000819053160 660244727 /nfs/dbraw/zinc/24/47/27/660244727.db2.gz GRHALJRMMOMXIK-CYBMUJFWSA-N 1 0 388.693 2.918 20 0 GFADRO CC(C)(C)OC(=O)NCC[C@H](O)C[NH2+]Cc1ccc(Br)cc1F ZINC000819052990 660244758 /nfs/dbraw/zinc/24/47/58/660244758.db2.gz HQZGDKDQEWBFNK-ZDUSSCGKSA-N 1 0 391.281 2.954 20 0 GFADRO CC(C)(C)S(=O)(=O)CC[NH2+]C[C@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000819060967 660244997 /nfs/dbraw/zinc/24/49/97/660244997.db2.gz MUUAPISGAJRQPG-NSHDSACASA-N 1 0 384.325 2.536 20 0 GFADRO CC(C)(C)N1C[C@@H]([NH2+]C[C@](C)(O)c2ccc(Br)cc2F)CC1=O ZINC000819125075 660247404 /nfs/dbraw/zinc/24/74/04/660247404.db2.gz BOXJDIOKMCOUPE-SJCJKPOMSA-N 1 0 387.293 2.785 20 0 GFADRO O=C(C1CCCC1)N1CC[C@@H]([NH2+]C[C@@H](O)c2cccc(Br)c2)C1 ZINC000819163917 660248502 /nfs/dbraw/zinc/24/85/02/660248502.db2.gz ODQKFFYQXCURRF-IAGOWNOFSA-N 1 0 381.314 2.863 20 0 GFADRO Cc1cc(C[NH2+]C[C@H](O)c2ccc(Cl)cc2Cl)ccc1S(N)(=O)=O ZINC000819265646 660252707 /nfs/dbraw/zinc/25/27/07/660252707.db2.gz ABQURJCFJAJUPP-HNNXBMFYSA-N 1 0 389.304 2.772 20 0 GFADRO COc1cc(I)c(Cl)cc1C[NH2+]C[C@H](O)C1CC1 ZINC000819279546 660253338 /nfs/dbraw/zinc/25/33/38/660253338.db2.gz OBFRSARDCYTFHI-LBPRGKRZSA-N 1 0 381.641 2.814 20 0 GFADRO C[C@@H](CCNS(=O)(=O)c1ccccc1)[NH2+]C[C@H](O)c1ccccc1Cl ZINC000819297595 660253936 /nfs/dbraw/zinc/25/39/36/660253936.db2.gz FVHTXDROQCJMIX-KSSFIOAISA-N 1 0 382.913 2.720 20 0 GFADRO CCN1CC[C@H]([NH2+]C[C@@](C)(O)c2ccc(Br)cc2Cl)C1=O ZINC000819299601 660254212 /nfs/dbraw/zinc/25/42/12/660254212.db2.gz XUUDTBRAEXVJGF-DZGCQCFKSA-N 1 0 375.694 2.520 20 0 GFADRO CCOC(=O)N1CC[C@H]([NH2+]C[C@@H](O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000819239890 660251465 /nfs/dbraw/zinc/25/14/65/660251465.db2.gz WUJUXYNRNMZOKE-NWDGAFQWSA-N 1 0 377.268 2.554 20 0 GFADRO O[C@H](C[NH2+]Cc1cccc(N2CCOCC2)n1)c1ccc(Br)cc1 ZINC000819243372 660251903 /nfs/dbraw/zinc/25/19/03/660251903.db2.gz VRDDSULGYRYJRQ-QGZVFWFLSA-N 1 0 392.297 2.504 20 0 GFADRO C[C@@H]1C[NH+](CCCNC(=O)c2cc(Cl)nc(C(F)(F)F)c2)C[C@@H](C)O1 ZINC000820217518 660285485 /nfs/dbraw/zinc/28/54/85/660285485.db2.gz NGRKRDULEVCOJE-GHMZBOCLSA-N 1 0 379.810 2.983 20 0 GFADRO C[C@H]1C[NH+](CCCNC(=O)c2cc(Cl)nc(C(F)(F)F)c2)C[C@H](C)O1 ZINC000820217520 660285487 /nfs/dbraw/zinc/28/54/87/660285487.db2.gz NGRKRDULEVCOJE-QWRGUYRKSA-N 1 0 379.810 2.983 20 0 GFADRO C[NH+]1CCC(NC(=O)Nc2ccc(NC(=O)C3(Br)CC3)cc2)CC1 ZINC000820130528 660282787 /nfs/dbraw/zinc/28/27/87/660282787.db2.gz ZMGCWALSIAOYSL-UHFFFAOYSA-N 1 0 395.301 2.768 20 0 GFADRO C[C@@]1(C(=O)NC2CC[NH+](C3CC3)CC2)CC1(Br)Br ZINC000820200591 660284739 /nfs/dbraw/zinc/28/47/39/660284739.db2.gz MNIPEEXVAGANKP-LBPRGKRZSA-N 1 0 380.124 2.626 20 0 GFADRO C[NH+]1CCC2(CCC(NC(=O)C3(n4cc(Br)cn4)CC3)CC2)CC1 ZINC000820863347 660308695 /nfs/dbraw/zinc/30/86/95/660308695.db2.gz MOOLJGKHSHKKBF-UHFFFAOYSA-N 1 0 395.345 2.906 20 0 GFADRO Nc1cc(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc(Br)n1 ZINC000821126152 660316718 /nfs/dbraw/zinc/31/67/18/660316718.db2.gz YIYBHOBTJXBUPL-BXUZGUMPSA-N 1 0 379.302 2.515 20 0 GFADRO C[C@]1(C(=O)NCC[NH+]2CCCCCC2)CC1(Br)Br ZINC000821546496 660328838 /nfs/dbraw/zinc/32/88/38/660328838.db2.gz GVGOYMPKUFQQIX-GFCCVEGCSA-N 1 0 382.140 2.875 20 0 GFADRO Cc1nc(Br)ccc1NC(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000822338059 660343167 /nfs/dbraw/zinc/34/31/67/660343167.db2.gz VLFZGXARJMCBJC-ZDUSSCGKSA-N 1 0 383.290 2.527 20 0 GFADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)/C=C\[C@H]1CCOC1 ZINC000822840619 660355653 /nfs/dbraw/zinc/35/56/53/660355653.db2.gz LSQQNOCKUOUDNW-SBSDFTTDSA-N 1 0 381.314 2.932 20 0 GFADRO COc1ccc(Cc2noc([C@@H]3CC[NH2+][C@@H]3C)n2)c(Br)c1OC ZINC000822946492 660358673 /nfs/dbraw/zinc/35/86/73/660358673.db2.gz FBMPJGQKTAQXOT-MWLCHTKSSA-N 1 0 382.258 2.906 20 0 GFADRO [NH3+]CC1(Cc2nc(Cc3cc(Br)c4c(c3)OCCCO4)no2)CC1 ZINC000822947625 660358737 /nfs/dbraw/zinc/35/87/37/660358737.db2.gz WEXNAKNQTXNWEP-UHFFFAOYSA-N 1 0 394.269 2.866 20 0 GFADRO C[C@@H](CNC(=O)c1cc(Br)cc2c1OCCO2)[NH+]1CCCCC1 ZINC000822954100 660358908 /nfs/dbraw/zinc/35/89/08/660358908.db2.gz SXAWDXLBLCAYIJ-LBPRGKRZSA-N 1 0 383.286 2.825 20 0 GFADRO C[C@@H](c1nc(Cc2cccc(F)c2I)no1)[C@H](C)[NH3+] ZINC000822981045 660359352 /nfs/dbraw/zinc/35/93/52/660359352.db2.gz UGMNVPQQAQLGEN-SFYZADRCSA-N 1 0 375.185 2.855 20 0 GFADRO COc1nc(-c2noc(CC3(C[NH3+])CCCCC3)n2)ncc1Br ZINC000823015444 660359803 /nfs/dbraw/zinc/35/98/03/660359803.db2.gz DBYJFNPHMOOZGL-UHFFFAOYSA-N 1 0 382.262 2.749 20 0 GFADRO COc1nc(-c2noc([C@@H]3C[C@@H]4CCCC[C@@H]4[NH2+]3)n2)ncc1Br ZINC000823015962 660359844 /nfs/dbraw/zinc/35/98/44/660359844.db2.gz NDDUOKHJTSZMHA-LSJOCFKGSA-N 1 0 380.246 2.891 20 0 GFADRO Cn1ncc(-c2noc(C3(c4ccccc4)CC[NH2+]CC3)n2)c1Br ZINC000823100058 660361895 /nfs/dbraw/zinc/36/18/95/660361895.db2.gz YRYJFNDCICLHQV-UHFFFAOYSA-N 1 0 388.269 2.902 20 0 GFADRO Cc1[nH]nc(Br)c1C(=O)NC[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000823588944 660375768 /nfs/dbraw/zinc/37/57/68/660375768.db2.gz ZGISROKBRWRLSS-KGLIPLIRSA-N 1 0 377.286 2.556 20 0 GFADRO Brc1ccc(N2CCC(C[NH+]3CCCC3)CC2)c(-c2nn[nH]n2)c1 ZINC000823827133 660381298 /nfs/dbraw/zinc/38/12/98/660381298.db2.gz VATPNZFSSHFCCC-UHFFFAOYSA-N 1 0 391.317 2.941 20 0 GFADRO CC[N@H+](CCCNC(=O)c1cc(=O)n(C)cc1Br)C1CCCCC1 ZINC000823880133 660382202 /nfs/dbraw/zinc/38/22/02/660382202.db2.gz CUTCEUYSNFHUHW-UHFFFAOYSA-N 1 0 398.345 2.922 20 0 GFADRO OC[C@H](C[C@@H](O)c1ccccc1)[NH2+]Cc1ccc(I)cc1 ZINC000824056749 660384707 /nfs/dbraw/zinc/38/47/07/660384707.db2.gz BCUUGFLRGDCEPX-DLBZAZTESA-N 1 0 397.256 2.865 20 0 GFADRO C[NH+]1CCC(OCC(=O)Nc2cc(-c3ccc(Br)s3)[nH]n2)CC1 ZINC000824424839 660391722 /nfs/dbraw/zinc/39/17/22/660391722.db2.gz HKOKXPVTXRPKEM-UHFFFAOYSA-N 1 0 399.314 2.950 20 0 GFADRO O=C(NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1cc(Br)n[nH]1 ZINC000824268313 660388699 /nfs/dbraw/zinc/38/86/99/660388699.db2.gz OSGPOXYKEJZEJG-CQSZACIVSA-N 1 0 377.286 2.814 20 0 GFADRO O=C(NCC1CC[NH+](C2CCOCC2)CC1)c1csc(Br)n1 ZINC000824365379 660390803 /nfs/dbraw/zinc/39/08/03/660390803.db2.gz NEVHZEAVZZTLAV-UHFFFAOYSA-N 1 0 388.331 2.526 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)C[C@@H]1C(=O)Nc2c1cccc2Br ZINC000824659162 660399055 /nfs/dbraw/zinc/39/90/55/660399055.db2.gz ZJHDAKVPPHMQJJ-YPMHNXCESA-N 1 0 394.313 2.864 20 0 GFADRO C[NH+](C)C[C@@H]1COC2(CCCC2)CN1C(=O)c1csc(Br)n1 ZINC000824752029 660401034 /nfs/dbraw/zinc/40/10/34/660401034.db2.gz BOZLZGNWQJHNOY-LLVKDONJSA-N 1 0 388.331 2.621 20 0 GFADRO C[C@@]1(NC(=O)c2cc(Br)c3nccnc3c2)C[NH+]2CCC1CC2 ZINC000824895199 660404189 /nfs/dbraw/zinc/40/41/89/660404189.db2.gz RXXLUJJOWPTBMA-QGZVFWFLSA-N 1 0 375.270 2.606 20 0 GFADRO CC[NH+](CC)Cc1cccc(CNC(=O)c2cc(Br)n(C)n2)c1 ZINC000825305453 660419718 /nfs/dbraw/zinc/41/97/18/660419718.db2.gz JJYJGHONKVVGIX-UHFFFAOYSA-N 1 0 379.302 2.954 20 0 GFADRO COc1cc(Br)cc(C(=O)N2CCC(CO)([NH2+]CC(C)C)CC2)c1 ZINC000825513183 660430993 /nfs/dbraw/zinc/43/09/93/660430993.db2.gz PYXQKYFLNKBEEG-UHFFFAOYSA-N 1 0 399.329 2.670 20 0 GFADRO CC(C)COC[C@H](O)C[N@@H+]1CC[C@@]2(C)[C@@H](C1)C2(Br)Br ZINC000852335669 661860928 /nfs/dbraw/zinc/86/09/28/661860928.db2.gz JYKKMNOGUPYFLZ-UPJWGTAASA-N 1 0 399.167 2.848 20 0 GFADRO CCc1ccc(Br)cc1C(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000826565578 660457186 /nfs/dbraw/zinc/45/71/86/660457186.db2.gz YMLBALXJGYQGMD-MRXNPFEDSA-N 1 0 381.314 2.683 20 0 GFADRO CC(C)[C@@H]1CN(C(=O)c2cc(Br)cnc2Br)CC[NH2+]1 ZINC000826764348 660463909 /nfs/dbraw/zinc/46/39/09/660463909.db2.gz VOWFLDWLPHAQHP-NSHDSACASA-N 1 0 391.107 2.677 20 0 GFADRO Cc1ccc(C(=O)N2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)cc1I ZINC000827330208 660489352 /nfs/dbraw/zinc/48/93/52/660489352.db2.gz KXAUJBUMCWNMKD-DZGCQCFKSA-N 1 0 384.261 2.766 20 0 GFADRO C[N@@H+]1CC[C@H]2CN(C(=O)c3cc(=O)c4cc(Br)ccc4o3)CC[C@@H]21 ZINC000827244727 660485978 /nfs/dbraw/zinc/48/59/78/660485978.db2.gz CIBBEUSECGYOAV-FZMZJTMJSA-N 1 0 391.265 2.722 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(C(=O)Cc3noc4ccc(Br)cc43)CC[C@H]21 ZINC000827245248 660485991 /nfs/dbraw/zinc/48/59/91/660485991.db2.gz JJYRKOUSWBKJLW-IAQYHMDHSA-N 1 0 378.270 2.685 20 0 GFADRO C[N@@H+]1CC[C@H]2CN(C(=O)c3cc(Br)cnc3OCC3CC3)CC[C@H]21 ZINC000827254190 660486274 /nfs/dbraw/zinc/48/62/74/660486274.db2.gz OQYWSRYULCDTLP-XJKSGUPXSA-N 1 0 394.313 2.799 20 0 GFADRO COc1cc(C(=O)N2CC[C@H]3[C@H](CC[N@@H+]3C)C2)cc(Br)c1OC ZINC000827264272 660486920 /nfs/dbraw/zinc/48/69/20/660486920.db2.gz ALRGFALQVUPGND-RISCZKNCSA-N 1 0 383.286 2.633 20 0 GFADRO Cc1ccc(I)cc1C(=O)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000827302299 660488475 /nfs/dbraw/zinc/48/84/75/660488475.db2.gz UVNNVFARCMQKIV-WFASDCNBSA-N 1 0 384.261 2.766 20 0 GFADRO CCC[N@H+](C)CC(=O)N1CC[C@@]2(C)[C@@H](C1)C2(Br)Br ZINC000855321953 661983940 /nfs/dbraw/zinc/98/39/40/661983940.db2.gz DMMVIKDOVWIPAH-PWSUYJOCSA-N 1 0 382.140 2.683 20 0 GFADRO C[NH+](C)CCOC1CCN(C(=O)c2c(Cl)nc3cc(Cl)ccn32)CC1 ZINC000827467053 660498074 /nfs/dbraw/zinc/49/80/74/660498074.db2.gz MVPBPNPVLRXGBM-UHFFFAOYSA-N 1 0 385.295 2.824 20 0 GFADRO C[C@H]1CC[N@H+](CC(=O)N2CC[C@@]3(C)[C@@H](C2)C3(Br)Br)C1 ZINC000855324309 661985172 /nfs/dbraw/zinc/98/51/72/661985172.db2.gz SGKNFHHLKOFESH-LOWVWBTDSA-N 1 0 394.151 2.683 20 0 GFADRO C[NH+](C)CCC[C@@H]1CN(Cc2nc3ccccn3c2Br)CCO1 ZINC000827856788 660520191 /nfs/dbraw/zinc/52/01/91/660520191.db2.gz RTFILMZZSGVLIJ-CQSZACIVSA-N 1 0 381.318 2.639 20 0 GFADRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)c1ccc(C(F)(F)Br)nc1 ZINC000827898384 660522080 /nfs/dbraw/zinc/52/20/80/660522080.db2.gz NLOFUKKZQHBYMB-LLVKDONJSA-N 1 0 376.245 2.940 20 0 GFADRO Cc1cc([C@@H]([NH3+])CC(=O)Nc2cccc(CS(C)(=O)=O)c2)cc(Cl)n1 ZINC000827905901 660522545 /nfs/dbraw/zinc/52/25/45/660522545.db2.gz CGXJOFNTZZFMIG-HNNXBMFYSA-N 1 0 381.885 2.617 20 0 GFADRO CO[C@H](C)c1noc(CN2CCC[N@H+](C[C@]3(C)CC3(Cl)Cl)CC2)n1 ZINC000828005978 660526071 /nfs/dbraw/zinc/52/60/71/660526071.db2.gz DTOPIQWDZSPQIL-DOMZBBRYSA-N 1 0 377.316 2.869 20 0 GFADRO O=C([C@@H]1C[C@H]1C1CC[NH2+]CC1)N1CCO[C@H](c2ccccc2Br)C1 ZINC000828122168 660535526 /nfs/dbraw/zinc/53/55/26/660535526.db2.gz KQLFQSGYRLGFID-JZXOWHBKSA-N 1 0 393.325 2.985 20 0 GFADRO C[N@H+](CCn1cc(Br)cn1)C[C@@H]1CN(C2CCCCC2)C(=O)O1 ZINC000828548327 660556126 /nfs/dbraw/zinc/55/61/26/660556126.db2.gz AAVJCZYIVCRLSU-OAHLLOKOSA-N 1 0 385.306 2.731 20 0 GFADRO C[C@@H]1C[C@H](N(C)C(=O)[C@]2(C)CC2(Br)Br)CC[N@@H+]1C ZINC000828594907 660558912 /nfs/dbraw/zinc/55/89/12/660558912.db2.gz DLONIMREEIDBSJ-FOGDFJRCSA-N 1 0 382.140 2.824 20 0 GFADRO CN(CC[NH+]1CC2(C1)CCOCC2)C(=O)c1ccc(Br)cc1F ZINC000829291459 660587735 /nfs/dbraw/zinc/58/77/35/660587735.db2.gz AXNXJVAZOICISV-UHFFFAOYSA-N 1 0 385.277 2.773 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)[C@]2(C)CC2(Br)Br)C1 ZINC000829704039 660608468 /nfs/dbraw/zinc/60/84/68/660608468.db2.gz KANUNDQLLSKPNM-FOGDFJRCSA-N 1 0 382.140 2.872 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)Nc2nnc(-c3ccco3)s2)CC[C@H]1C(F)(F)F ZINC000625848771 652373437 /nfs/dbraw/zinc/37/34/37/652373437.db2.gz GTGYYCXTOVAQJF-DTWKUNHWSA-N 1 0 375.376 2.789 20 0 GFADRO Cc1conc1NC(=O)C(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000627910745 652442307 /nfs/dbraw/zinc/44/23/07/652442307.db2.gz PCFSDWUTMCPPNP-ZDUSSCGKSA-N 1 0 385.251 2.647 20 0 GFADRO Cc1conc1NC(=O)C(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000627910744 652442366 /nfs/dbraw/zinc/44/23/66/652442366.db2.gz PCFSDWUTMCPPNP-CYBMUJFWSA-N 1 0 385.251 2.647 20 0 GFADRO O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)c1cc(Cl)nc(C(F)(F)F)c1 ZINC000830155518 660638888 /nfs/dbraw/zinc/63/88/88/660638888.db2.gz LQEKEKDHSNZYDG-GFCCVEGCSA-N 1 0 377.794 2.737 20 0 GFADRO CC(C)(O)c1ccc(C[NH2+]CCNS(=O)(=O)c2ccc(Cl)s2)cc1 ZINC000830319047 660648358 /nfs/dbraw/zinc/64/83/58/660648358.db2.gz ZYCKULYRKVALML-UHFFFAOYSA-N 1 0 388.942 2.697 20 0 GFADRO CN(Cc1cscc1Br)S(=O)(=O)CCC[NH+]1CCCC1 ZINC000882679234 663036204 /nfs/dbraw/zinc/03/62/04/663036204.db2.gz GITWFLWQQUZZTF-UHFFFAOYSA-N 1 0 381.361 2.758 20 0 GFADRO CCOC(=O)c1nc(NCC[NH+]2CCC(OC)CC2)ccc1Br ZINC000603308003 652695682 /nfs/dbraw/zinc/69/56/82/652695682.db2.gz HWSGLIAZSKQUCD-UHFFFAOYSA-N 1 0 386.290 2.544 20 0 GFADRO C[C@@H]1C[C@H](N(C)S(=O)(=O)c2cnc(Cl)c(Br)c2)CC[N@@H+]1C ZINC000830668388 660671096 /nfs/dbraw/zinc/67/10/96/660671096.db2.gz QNWXBOXENUCKFE-NXEZZACHSA-N 1 0 396.738 2.601 20 0 GFADRO C[C@@H]1C[C@@H](N(C)S(=O)(=O)c2cnc(Cl)c(Br)c2)CC[N@@H+]1C ZINC000830668391 660671433 /nfs/dbraw/zinc/67/14/33/660671433.db2.gz QNWXBOXENUCKFE-ZJUUUORDSA-N 1 0 396.738 2.601 20 0 GFADRO Cn1ncc(NC(=O)CC[N@H+](C)C2CCCCC2)c1I ZINC000887067194 663131036 /nfs/dbraw/zinc/13/10/36/663131036.db2.gz DECVJGGJDQTBLY-UHFFFAOYSA-N 1 0 390.269 2.618 20 0 GFADRO [NH3+][C@H](CC(=O)N[C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1)C1CC1 ZINC000831236082 660705105 /nfs/dbraw/zinc/70/51/05/660705105.db2.gz SQEAEDRATOIDDC-WCQYABFASA-N 1 0 376.810 2.576 20 0 GFADRO CCO[C@H](CNC(=O)c1ccc(Br)cc1SC)C[NH+](C)C ZINC000831707658 660720808 /nfs/dbraw/zinc/72/08/08/660720808.db2.gz JTPMNPBKCNNAQY-GFCCVEGCSA-N 1 0 375.332 2.868 20 0 GFADRO CC(=O)NCc1ccc(-c2nc(NC(=O)C[C@H]([NH3+])C3CC3)sc2C)s1 ZINC000831848700 660731436 /nfs/dbraw/zinc/73/14/36/660731436.db2.gz KXGJYQLSFOPKMJ-ZDUSSCGKSA-N 1 0 378.523 2.882 20 0 GFADRO C[NH+](C)CC1(CNC(=O)c2csc(I)n2)CCCC1 ZINC000832185183 660761611 /nfs/dbraw/zinc/76/16/11/660761611.db2.gz DOWLLRMYZOWPMX-UHFFFAOYSA-N 1 0 393.294 2.600 20 0 GFADRO CC1=CC[N@H+](CCNC(=O)[C@]2(C)CC2(Br)Br)CC1 ZINC000832207265 660763492 /nfs/dbraw/zinc/76/34/92/660763492.db2.gz LUAWANBRHONILS-LBPRGKRZSA-N 1 0 380.124 2.651 20 0 GFADRO Cn1c(Cl)ncc1S(=O)(=O)N1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000832574934 660787271 /nfs/dbraw/zinc/78/72/71/660787271.db2.gz UDGCIGNIPUCDFR-UHFFFAOYSA-N 1 0 376.954 2.595 20 0 GFADRO CC(C)[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2cc(Br)cnc2Cl)C1 ZINC000832760693 660798986 /nfs/dbraw/zinc/79/89/86/660798986.db2.gz DHNBUAUHZFQNHT-LLVKDONJSA-N 1 0 396.738 2.601 20 0 GFADRO C[C@H](CN1CCOCC1)[NH2+]C[C@](C)(O)c1ccc(Br)cc1Cl ZINC000834362480 660816303 /nfs/dbraw/zinc/81/63/03/660816303.db2.gz BPADNFQGQJNCRJ-WBMJQRKESA-N 1 0 391.737 2.620 20 0 GFADRO Cc1ccc(/C=C\C(=O)N2CCC[C@@](O)(C[NH+](C)C)C2)c(Br)c1 ZINC000834569663 660825239 /nfs/dbraw/zinc/82/52/39/660825239.db2.gz SKKMZLPIVLVDBF-JTHGQSKGSA-N 1 0 381.314 2.686 20 0 GFADRO CC1([NH+]2CCC2)CCC(NC(=O)c2c(Cl)cccc2S(C)(=O)=O)CC1 ZINC000834786531 660833122 /nfs/dbraw/zinc/83/31/22/660833122.db2.gz QXLAJBNLSULSTA-UHFFFAOYSA-N 1 0 384.929 2.880 20 0 GFADRO CCN1CC[NH+](C[C@H](C)CNC(=O)NCC[C@@]2(C)CC2(Cl)Cl)CC1 ZINC000836343408 660900387 /nfs/dbraw/zinc/90/03/87/660900387.db2.gz HSBMJBMDRCHCBK-ZBFHGGJFSA-N 1 0 379.376 2.533 20 0 GFADRO Cc1c(Br)nccc1NC(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000836674615 660924829 /nfs/dbraw/zinc/92/48/29/660924829.db2.gz BKEYFPGSFHPLPX-UHFFFAOYSA-N 1 0 397.317 2.919 20 0 GFADRO Cc1c(Br)nccc1NC(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000836686127 660929099 /nfs/dbraw/zinc/92/90/99/660929099.db2.gz WDCXAEGKCQCSNQ-UHFFFAOYSA-N 1 0 376.258 2.902 20 0 GFADRO Cc1c(Br)nccc1NC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000836685643 660929231 /nfs/dbraw/zinc/92/92/31/660929231.db2.gz NWSWRKYPINXNEY-ZDUSSCGKSA-N 1 0 385.306 2.631 20 0 GFADRO C[NH+]1CCN(c2ccc(CNC(=S)Nc3ccccc3Cl)cn2)CC1 ZINC000010940415 654494824 /nfs/dbraw/zinc/49/48/24/654494824.db2.gz SLNPCIUZWNEGPC-UHFFFAOYSA-N 1 0 375.929 2.973 20 0 GFADRO CC[C@@H](C)[NH+]1CCN(C(=O)c2cn(-c3ccccc3Br)nn2)CC1 ZINC000837006314 660964750 /nfs/dbraw/zinc/96/47/50/660964750.db2.gz DFNMFFLOGLLSEM-CYBMUJFWSA-N 1 0 392.301 2.586 20 0 GFADRO CCNC(=O)[C@@H](C)[NH2+]Cc1cc(Br)c(OC)c(Br)c1 ZINC000036325128 654612398 /nfs/dbraw/zinc/61/23/98/654612398.db2.gz XPDHXPOUAFQRMJ-MRVPVSSYSA-N 1 0 394.107 2.834 20 0 GFADRO C[NH+](C)Cc1ccc(C(=O)NC[C@@H](O)c2ccccc2Br)cc1 ZINC000837203751 660978640 /nfs/dbraw/zinc/97/86/40/660978640.db2.gz PIVNYSGQFPULFJ-QGZVFWFLSA-N 1 0 377.282 2.974 20 0 GFADRO Cc1csc([C@](O)(CC(=O)NCC[N@@H+]2CCCC2(C)C)C(F)(F)F)n1 ZINC000837176318 660975769 /nfs/dbraw/zinc/97/57/69/660975769.db2.gz FJQLAUMHAKDPET-OAHLLOKOSA-N 1 0 379.448 2.582 20 0 GFADRO Cc1ccc(NC(=O)C(=O)NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)c(Br)c1 ZINC000041652161 654629072 /nfs/dbraw/zinc/62/90/72/654629072.db2.gz NDJZQDQESKPIIR-KBPBESRZSA-N 1 0 396.329 2.933 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)C(=O)NCC[NH+]1CCC(C)CC1 ZINC000041661605 654629614 /nfs/dbraw/zinc/62/96/14/654629614.db2.gz GQBKBGIVYJRCJK-UHFFFAOYSA-N 1 0 382.302 2.544 20 0 GFADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C(=O)Nc2ccccc2Br)C1 ZINC000041728919 654630235 /nfs/dbraw/zinc/63/02/35/654630235.db2.gz OZCPJULSKWRDQL-OKILXGFUSA-N 1 0 396.329 2.872 20 0 GFADRO C[C@@H](CNC(=O)c1cc(Br)cn1C)[N@@H+]1CCc2ccccc2C1 ZINC000042720504 654642812 /nfs/dbraw/zinc/64/28/12/654642812.db2.gz SAUSQXIVSUGMPA-ZDUSSCGKSA-N 1 0 376.298 2.964 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(F)cc1I ZINC000042821297 654645572 /nfs/dbraw/zinc/64/55/72/654645572.db2.gz GBVIIJJKHAUYLC-NSHDSACASA-N 1 0 376.213 2.644 20 0 GFADRO CC[NH+]1CCC(CNS(=O)(=O)c2cc(Br)cnc2Cl)CC1 ZINC000044526539 654659275 /nfs/dbraw/zinc/65/92/75/654659275.db2.gz KZPSXBRTCKHSEY-UHFFFAOYSA-N 1 0 396.738 2.508 20 0 GFADRO C[NH+]1CCN(c2ccccc2NC(=O)c2cncc(Br)c2)CC1 ZINC000045342942 654666852 /nfs/dbraw/zinc/66/68/52/654666852.db2.gz YDCACIJBRJEOQI-UHFFFAOYSA-N 1 0 375.270 2.848 20 0 GFADRO O=C(c1ccc(F)cc1Br)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000046047389 654674317 /nfs/dbraw/zinc/67/43/17/654674317.db2.gz SPOIZQQFJDXDCM-CQSZACIVSA-N 1 0 385.277 2.915 20 0 GFADRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)N1CCN(Cc2ccc(Cl)s2)CC1 ZINC000047106123 654690367 /nfs/dbraw/zinc/69/03/67/654690367.db2.gz FGKGBYNHBHRRTP-JKSUJKDBSA-N 1 0 382.961 2.856 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)N1CCN(Cc2ccc(Cl)s2)CC1 ZINC000047106121 654690420 /nfs/dbraw/zinc/69/04/20/654690420.db2.gz FGKGBYNHBHRRTP-HZPDHXFCSA-N 1 0 382.961 2.856 20 0 GFADRO O=C(NCC[NH+]1CCCCC1)c1ccc(-n2cc(Br)cn2)cc1 ZINC000047140454 654690865 /nfs/dbraw/zinc/69/08/65/654690865.db2.gz XTNODTOTPGQKKO-UHFFFAOYSA-N 1 0 377.286 2.851 20 0 GFADRO O=C(Cc1csc(NC(=O)c2cccs2)n1)NCC[NH+]1CCCCC1 ZINC000047140909 654690877 /nfs/dbraw/zinc/69/08/77/654690877.db2.gz YOBNGNHXXWKEKB-UHFFFAOYSA-N 1 0 378.523 2.602 20 0 GFADRO CC1CC[NH+]([C@H](CNC(=O)NC[C@H](O)C(F)(F)F)c2cccs2)CC1 ZINC000048740545 654712286 /nfs/dbraw/zinc/71/22/86/654712286.db2.gz AXXFOZODIRYAKF-OCCSQVGLSA-N 1 0 379.448 2.744 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1cccc(Br)c1)c1cccs1 ZINC000048742171 654712605 /nfs/dbraw/zinc/71/26/05/654712605.db2.gz ZPWDXGNWWWWHLX-ZDUSSCGKSA-N 1 0 396.310 2.868 20 0 GFADRO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)c1c(Br)nc2n1CCCC2 ZINC000837403195 660993921 /nfs/dbraw/zinc/99/39/21/660993921.db2.gz BFYFPZRNMTZSQA-STQMWFEESA-N 1 0 383.334 2.975 20 0 GFADRO CS(=O)(=O)NCC[NH2+]Cc1ccc(-c2ccccc2Br)s1 ZINC000051188351 654722713 /nfs/dbraw/zinc/72/27/13/654722713.db2.gz NDPPNGWOGCDXGV-UHFFFAOYSA-N 1 0 389.340 2.816 20 0 GFADRO CC(=O)N1CSC[C@@H]1C(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000121934924 654725392 /nfs/dbraw/zinc/72/53/92/654725392.db2.gz ZBGBZCZMJGMVQL-DLBZAZTESA-N 1 0 381.929 2.515 20 0 GFADRO Cc1cc(NC(=O)C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)ccc1Br ZINC000122292049 654732625 /nfs/dbraw/zinc/73/26/25/654732625.db2.gz LTJQZLGEARVNNG-BBRMVZONSA-N 1 0 394.313 2.639 20 0 GFADRO Cc1sc(Br)cc1S(=O)(=O)N1CCC(C[NH+](C)C)CC1 ZINC000122304151 654733018 /nfs/dbraw/zinc/73/30/18/654733018.db2.gz JICIQSGZGFWYMU-UHFFFAOYSA-N 1 0 381.361 2.781 20 0 GFADRO O=C(NCC[NH+]1CCCCC1)[C@H]1CCN(c2cc(Cl)ccc2Cl)C1=O ZINC000053514653 654748280 /nfs/dbraw/zinc/74/82/80/654748280.db2.gz DJAPSUPNHCSWEB-CQSZACIVSA-N 1 0 384.307 2.948 20 0 GFADRO Cc1cc(S(=O)(=O)NC2CC[NH+](CCOC(C)C)CC2)c(Cl)cc1F ZINC000122971339 654748554 /nfs/dbraw/zinc/74/85/54/654748554.db2.gz KBDCFNRTQACZOK-UHFFFAOYSA-N 1 0 392.924 2.955 20 0 GFADRO CN(C)[C@H](CNC(=O)[C@@H]1COc2ccc(Br)cc21)c1ccco1 ZINC000122989394 654749181 /nfs/dbraw/zinc/74/91/81/654749181.db2.gz ZAEYIHMNHOOZEX-ZIAGYGMSSA-N 1 0 379.254 2.937 20 0 GFADRO COC(=O)c1cc(S(=O)(=O)N(CC[NH+](C)C)C(C)C)c(Cl)cc1Cl ZINC000123419814 654755313 /nfs/dbraw/zinc/75/53/13/654755313.db2.gz QZFDKULNJHFVAA-UHFFFAOYSA-N 1 0 397.324 2.741 20 0 GFADRO C[NH+]1CCC(NC(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000054147866 654757653 /nfs/dbraw/zinc/75/76/53/654757653.db2.gz QIIJFMURBCMZMU-INIZCTEOSA-N 1 0 384.307 2.808 20 0 GFADRO CN(C)C(=O)C1CC[NH+](CCC(=O)Nc2cccc(Br)c2)CC1 ZINC000123699913 654761110 /nfs/dbraw/zinc/76/11/10/654761110.db2.gz PHNMQBOHXAIBPQ-UHFFFAOYSA-N 1 0 382.302 2.578 20 0 GFADRO C[C@H]1C[C@@H](N(C)C(=O)/C=C/c2ccc(I)o2)CC[N@@H+]1C ZINC000124275099 654773743 /nfs/dbraw/zinc/77/37/43/654773743.db2.gz PWZNJGXGUZELEA-YILIYONBSA-N 1 0 388.249 2.839 20 0 GFADRO COC(=O)c1cc(S(=O)(=O)N(CC[NH+](C)C)C2CCCC2)ccc1Cl ZINC000124453313 654776253 /nfs/dbraw/zinc/77/62/53/654776253.db2.gz UNBUDDWTUCEQAA-UHFFFAOYSA-N 1 0 388.917 2.622 20 0 GFADRO COc1ccc(C(=O)NCC(C)(C)C[NH+](C)C)cc1I ZINC000124508215 654776893 /nfs/dbraw/zinc/77/68/93/654776893.db2.gz SFMSPMYNMHEGJX-UHFFFAOYSA-N 1 0 390.265 2.617 20 0 GFADRO O=C(NC[C@H]1CCCC[N@@H+]1C1CC1)c1c(Br)nc2n1CCCC2 ZINC000837580620 661006043 /nfs/dbraw/zinc/00/60/43/661006043.db2.gz CFBKSWREPRHISE-CYBMUJFWSA-N 1 0 381.318 2.729 20 0 GFADRO C[C@@H]1C[C@H](N(C)C(=O)CCNC(=O)c2ccc(Br)cc2)CC[N@@H+]1C ZINC000124780500 654781174 /nfs/dbraw/zinc/78/11/74/654781174.db2.gz AWWPXGKSZXLTDO-CZUORRHYSA-N 1 0 396.329 2.510 20 0 GFADRO CSCc1noc(CCC(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)n1 ZINC000125018181 654786483 /nfs/dbraw/zinc/78/64/83/654786483.db2.gz IGTHSKDDUHHVOP-ZDUSSCGKSA-N 1 0 380.539 2.880 20 0 GFADRO COc1cc([C@H](C)[NH2+]C[C@@H](O)c2ccco2)ccc1S(=O)(=O)C(F)F ZINC000125203527 654789340 /nfs/dbraw/zinc/78/93/40/654789340.db2.gz QMHBDGPOBFPYHX-CMPLNLGQSA-N 1 0 375.393 2.669 20 0 GFADRO Cc1c(C(=O)N(C)C2CC[NH2+]CC2)cnn1-c1ccc(Br)cc1 ZINC000125382364 654792788 /nfs/dbraw/zinc/79/27/88/654792788.db2.gz PTCCZSBPXXBZJA-UHFFFAOYSA-N 1 0 377.286 2.767 20 0 GFADRO CN1CC[NH+](CC2CCN(C(=O)c3cc(F)cc(Br)c3)CC2)CC1 ZINC000057066292 654799248 /nfs/dbraw/zinc/79/92/48/654799248.db2.gz XLKOCUYOXMNVGI-UHFFFAOYSA-N 1 0 398.320 2.688 20 0 GFADRO CCS(=O)(=O)N(C)CCC[NH2+][C@@H](C)c1ccc(Br)cc1F ZINC000125924136 654805092 /nfs/dbraw/zinc/80/50/92/654805092.db2.gz CFSZYUHVQWURPW-NSHDSACASA-N 1 0 381.311 2.910 20 0 GFADRO C[C@@H](CNC(=O)[C@@]12CCC(=O)N1c1cc(Cl)ccc1S2)[N@H+](C)C1CC1 ZINC000057700876 654808322 /nfs/dbraw/zinc/80/83/22/654808322.db2.gz BRZISILBIRATFZ-VOJFVSQTSA-N 1 0 379.913 2.868 20 0 GFADRO CC[NH+](CC)Cc1ccc(CNS(=O)(=O)c2c(C)nn(C)c2Cl)cc1 ZINC000126260728 654811887 /nfs/dbraw/zinc/81/18/87/654811887.db2.gz URJDCXGWDAZMBU-UHFFFAOYSA-N 1 0 384.933 2.702 20 0 GFADRO O[C@@H](COc1c(Cl)cccc1Cl)CN1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000057941903 654812740 /nfs/dbraw/zinc/81/27/40/654812740.db2.gz GCLODKSGDHKAGR-HUUCEWRRSA-N 1 0 389.323 2.530 20 0 GFADRO CC(C)[N@H+](C)CC1CCN(C(=O)c2ccc(Cl)c(S(C)(=O)=O)c2)CC1 ZINC000058861224 654823338 /nfs/dbraw/zinc/82/33/38/654823338.db2.gz MNPSBNPTNCNTHC-UHFFFAOYSA-N 1 0 386.945 2.936 20 0 GFADRO C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000058982608 654824664 /nfs/dbraw/zinc/82/46/64/654824664.db2.gz FZBJZYPPIXQOPR-GFCCVEGCSA-N 1 0 384.307 2.666 20 0 GFADRO CCOCC[NH+]1CCN(Cc2c(Br)cc(OC)cc2OC)CC1 ZINC000127435165 654830044 /nfs/dbraw/zinc/83/00/44/654830044.db2.gz MWPLVNBFJJOPIW-UHFFFAOYSA-N 1 0 387.318 2.620 20 0 GFADRO Cc1ccc(Cl)cc1S(=O)(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000127540299 654831969 /nfs/dbraw/zinc/83/19/69/654831969.db2.gz FWXVZCYZNGTMNB-IAGOWNOFSA-N 1 0 386.945 2.695 20 0 GFADRO CC(C)(C)[NH2+]CCNC(=O)C(=O)Nc1cc(Br)c(F)cc1Cl ZINC000127865512 654836339 /nfs/dbraw/zinc/83/63/39/654836339.db2.gz QSPYJHLYKQMTOS-UHFFFAOYSA-N 1 0 394.672 2.684 20 0 GFADRO O=C(NCc1cn2ccsc2n1)NCC1([NH+]2CCSCC2)CCCC1 ZINC000062005071 654843509 /nfs/dbraw/zinc/84/35/09/654843509.db2.gz FHTOZFKYZLKQJP-UHFFFAOYSA-N 1 0 379.555 2.557 20 0 GFADRO Cc1sc(Br)cc1S(=O)(=O)N1CCN(C)c2cc[nH+]cc21 ZINC000128362905 654844591 /nfs/dbraw/zinc/84/45/91/654844591.db2.gz LTUOKRVSGWETPS-UHFFFAOYSA-N 1 0 388.312 2.859 20 0 GFADRO COc1cccc(OC)c1OC[C@@H](O)C[NH2+]Cc1ccc(Br)cc1 ZINC000063525408 654854085 /nfs/dbraw/zinc/85/40/85/654854085.db2.gz BNRASPJZGGHVGN-HNNXBMFYSA-N 1 0 396.281 2.996 20 0 GFADRO CN(CC1CC1)C(=O)C[NH2+]C1(c2cccc(Br)c2)CCOCC1 ZINC000065604492 654881911 /nfs/dbraw/zinc/88/19/11/654881911.db2.gz LNZVHRXXBWGDBY-UHFFFAOYSA-N 1 0 381.314 2.913 20 0 GFADRO C[C@H]1C[C@@H](N(C)C(=O)CCN2C(=S)N=NC2c2cccs2)CC[N@@H+]1C ZINC000266554512 654884790 /nfs/dbraw/zinc/88/47/90/654884790.db2.gz ULPIRZMCSUQYQX-STQMWFEESA-N 1 0 379.555 2.627 20 0 GFADRO CC[C@H](NC(=O)NCCC[N@H+](C)CCOC)c1nc(C(F)(F)F)cs1 ZINC000266629332 654887573 /nfs/dbraw/zinc/88/75/73/654887573.db2.gz ALGSEAOUOLXQEX-NSHDSACASA-N 1 0 382.452 2.881 20 0 GFADRO CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2cc(Cl)c(OC)c(Cl)c2)C1 ZINC000266634228 654887629 /nfs/dbraw/zinc/88/76/29/654887629.db2.gz SLIMYEZKRGHPAU-LLVKDONJSA-N 1 0 388.295 2.741 20 0 GFADRO Cc1sc(=O)n(CC(=O)N(CC[NH+](C)C)Cc2cccc(Cl)c2)c1C ZINC000065936504 654891089 /nfs/dbraw/zinc/89/10/89/654891089.db2.gz JTJLZIPEITUBQJ-UHFFFAOYSA-N 1 0 381.929 2.770 20 0 GFADRO C[C@H](CC(=O)Nc1ccc(Br)cc1)[N@H+](C)[C@@H](C)C[S@](C)=O ZINC000130975192 654894849 /nfs/dbraw/zinc/89/48/49/654894849.db2.gz MDSDAXHTTMXTGM-SMDDFHAHSA-N 1 0 375.332 2.865 20 0 GFADRO O=C(Nc1ccc(I)cc1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000066157653 654895971 /nfs/dbraw/zinc/89/59/71/654895971.db2.gz JCGXAOPIYFJSDA-CQSZACIVSA-N 1 0 385.249 2.993 20 0 GFADRO Cn1ccnc1N1CC[NH+](CCC(=O)Nc2cc(Cl)ccc2Cl)CC1 ZINC000266969706 654901275 /nfs/dbraw/zinc/90/12/75/654901275.db2.gz ZRDTUDYWLZITEF-UHFFFAOYSA-N 1 0 382.295 2.878 20 0 GFADRO OC[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1Nc1ncc(Br)cn1 ZINC000267018588 654905091 /nfs/dbraw/zinc/90/50/91/654905091.db2.gz JKDWVQUABSEKMY-ZBFHGGJFSA-N 1 0 377.286 2.534 20 0 GFADRO C[C@H]([NH2+]CC1(c2ccc(Br)cc2)CCOCC1)C(=O)NC1CC1 ZINC000267061214 654907679 /nfs/dbraw/zinc/90/76/79/654907679.db2.gz QWEJVNIJNSQYFN-ZDUSSCGKSA-N 1 0 381.314 2.754 20 0 GFADRO C[NH+](C)CCNC(=O)c1ccccc1NC(=O)c1cccc(Br)c1 ZINC000131708380 654914631 /nfs/dbraw/zinc/91/46/31/654914631.db2.gz MWNXGKAXJHZTTN-UHFFFAOYSA-N 1 0 390.281 2.993 20 0 GFADRO O=C(c1cc2c(cccc2Br)[nH]1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000267292621 654922496 /nfs/dbraw/zinc/92/24/96/654922496.db2.gz CFWZOOJATUFMNB-CYBMUJFWSA-N 1 0 392.297 2.725 20 0 GFADRO O=C(c1ccc(I)cc1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000066945667 654923220 /nfs/dbraw/zinc/92/32/20/654923220.db2.gz MPRCYPGPSVCQRX-HNNXBMFYSA-N 1 0 384.261 2.992 20 0 GFADRO COc1ccc(NC(=O)NCCN2CCC([NH+](C)C)CC2)cc1Br ZINC000267322704 654923907 /nfs/dbraw/zinc/92/39/07/654923907.db2.gz NWQRRWBEGDPWSJ-UHFFFAOYSA-N 1 0 399.333 2.605 20 0 GFADRO C[NH+](C)[C@]1(CNC(=O)CSCC(=O)c2ccc(Cl)cc2)CCSC1 ZINC000267359685 654925201 /nfs/dbraw/zinc/92/52/01/654925201.db2.gz WHLGPCFTXRFKKS-KRWDZBQOSA-N 1 0 386.970 2.809 20 0 GFADRO C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)NC[C@H]1CSCCS1 ZINC000132193595 654928549 /nfs/dbraw/zinc/92/85/49/654928549.db2.gz WKHBVCBBPXIENO-AWEZNQCLSA-N 1 0 389.537 2.887 20 0 GFADRO Cn1ncc(Cl)c1C[NH2+]C[C@@H](CO)Cc1ccc(OC(F)(F)F)cc1 ZINC000132198226 654928720 /nfs/dbraw/zinc/92/87/20/654928720.db2.gz VMFGYBYKWDKIHF-LBPRGKRZSA-N 1 0 377.794 2.913 20 0 GFADRO O=C(C[NH2+][C@@]1(CO)CCc2ccccc21)Nc1ccc(Br)cc1F ZINC000132345864 654934586 /nfs/dbraw/zinc/93/45/86/654934586.db2.gz RHINSPODDKYDRN-GOSISDBHSA-N 1 0 393.256 2.950 20 0 GFADRO Cc1csc([C@@](O)(CC(=O)NCC[NH+](C(C)C)C(C)C)C(F)(F)F)n1 ZINC000067284829 654935235 /nfs/dbraw/zinc/93/52/35/654935235.db2.gz FGYXFRUCTSSXLQ-HNNXBMFYSA-N 1 0 381.464 2.827 20 0 GFADRO CC(=O)NC[C@H]1CCC[N@@H+](CC(=O)N(C)Cc2ccc(Cl)c(Cl)c2)C1 ZINC000067417067 654939114 /nfs/dbraw/zinc/93/91/14/654939114.db2.gz JLURXKIDSXTJJF-OAHLLOKOSA-N 1 0 386.323 2.800 20 0 GFADRO C[NH+](C)CCN(Cc1cccs1)C(=O)CCCNC(=O)c1ccsc1 ZINC000267696631 654942199 /nfs/dbraw/zinc/94/21/99/654942199.db2.gz GCQIPHLOYHMZEN-UHFFFAOYSA-N 1 0 379.551 2.910 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)C(=O)NC[C@@H](C)[NH+]1CCC(C)CC1 ZINC000067764178 654945028 /nfs/dbraw/zinc/94/50/28/654945028.db2.gz UHSOXKFVAUYWFU-CQSZACIVSA-N 1 0 396.329 2.933 20 0 GFADRO COc1ccc(Br)cc1C(=O)CCC(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000067863505 654946797 /nfs/dbraw/zinc/94/67/97/654946797.db2.gz AWIYIFZHXYLJNJ-ZDUSSCGKSA-N 1 0 395.297 2.774 20 0 GFADRO Cc1ccc(-n2ncc(NC[C@@](C)(O)C[NH+](C)C)c(Cl)c2=O)cc1Cl ZINC000132956339 654949842 /nfs/dbraw/zinc/94/98/42/654949842.db2.gz MKMCQBDTJDUGPO-QGZVFWFLSA-N 1 0 385.295 2.572 20 0 GFADRO C[C@@](CO)([NH2+]Cc1nnnn1-c1ccccc1Br)C1CCCCC1 ZINC000133017779 654952321 /nfs/dbraw/zinc/95/23/21/654952321.db2.gz DCJOQHXWVXSRDL-KRWDZBQOSA-N 1 0 394.317 2.846 20 0 GFADRO CC(C)[NH+]1CCC(NC(=O)NCc2cc3c(c(Br)c2)OCO3)CC1 ZINC000068364462 654960690 /nfs/dbraw/zinc/96/06/90/654960690.db2.gz QKFATMBINDUSLN-UHFFFAOYSA-N 1 0 398.301 2.850 20 0 GFADRO C[NH2+][C@@H]1CCCN(C(=O)c2ccc(I)cc2Cl)C1 ZINC000133358977 654961493 /nfs/dbraw/zinc/96/14/93/654961493.db2.gz NLYPYKXCAUALOE-SNVBAGLBSA-N 1 0 378.641 2.769 20 0 GFADRO CN(C)S(=O)(=O)CCC[NH+]1CCC(c2nc3cc(Cl)ccc3o2)CC1 ZINC000068458224 654963164 /nfs/dbraw/zinc/96/31/64/654963164.db2.gz PCUQETPMVDNXPK-UHFFFAOYSA-N 1 0 385.917 2.942 20 0 GFADRO C[NH2+][C@H]1CCCN(C(=O)c2cc(Br)nn2-c2ccc(C)cc2)C1 ZINC000133422408 654964060 /nfs/dbraw/zinc/96/40/60/654964060.db2.gz FTPUNFPTFWDGEJ-ZDUSSCGKSA-N 1 0 377.286 2.767 20 0 GFADRO C[NH+](C)CCNC(=O)C1CCN(C(=O)CCCC[C@H]2CCSS2)CC1 ZINC000068499152 654964458 /nfs/dbraw/zinc/96/44/58/654964458.db2.gz BXLIPRIZBAPSGY-INIZCTEOSA-N 1 0 387.615 2.617 20 0 GFADRO CC(C)OCC[NH+]1CCC(NC(=O)c2ccc(Br)c(O)c2)CC1 ZINC000133567367 654967606 /nfs/dbraw/zinc/96/76/06/654967606.db2.gz KGQCCQDRJPLWQK-UHFFFAOYSA-N 1 0 385.302 2.774 20 0 GFADRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)c2cc(Cl)c(Cl)n2C)CC1 ZINC000133575507 654967884 /nfs/dbraw/zinc/96/78/84/654967884.db2.gz DPKIQRSWIKFJQO-ZIAGYGMSSA-N 1 0 387.355 2.963 20 0 GFADRO CC(C)[N@@H+]1CCCN(C(=O)/C=C/c2ccc(I)o2)CC1 ZINC000068799617 654968406 /nfs/dbraw/zinc/96/84/06/654968406.db2.gz HYIDJKCCAWLXPR-FNORWQNLSA-N 1 0 388.249 2.840 20 0 GFADRO C[C@H](CC[NH+](C)C)NC(=O)c1cc(F)c(F)cc1I ZINC000268444315 654971932 /nfs/dbraw/zinc/97/19/32/654971932.db2.gz DNJQWXSQEVDHFL-MRVPVSSYSA-N 1 0 382.192 2.639 20 0 GFADRO COCC[NH+]1CCC(NC(=O)c2ccc(Cl)cc2Br)CC1 ZINC000268482686 654973984 /nfs/dbraw/zinc/97/39/84/654973984.db2.gz LVBBLOVCIPFZBZ-UHFFFAOYSA-N 1 0 375.694 2.943 20 0 GFADRO CN(C[C@H](O)c1ccccc1Br)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000838506254 661047709 /nfs/dbraw/zinc/04/77/09/661047709.db2.gz KCLJHPZJWVFJNG-VBQJREDUSA-N 1 0 398.345 2.997 20 0 GFADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H](C)Oc1ccc(C)cc1Br ZINC000069503643 654982186 /nfs/dbraw/zinc/98/21/86/654982186.db2.gz GPPVSERPKQDBIV-CABCVRRESA-N 1 0 399.329 2.752 20 0 GFADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)CCOc1cccc(Cl)c1Cl ZINC000069577503 654983578 /nfs/dbraw/zinc/98/35/78/654983578.db2.gz DAQHGUBEYMVVQG-CYBMUJFWSA-N 1 0 375.296 2.989 20 0 GFADRO C[C@H](Cn1cc(Br)cn1)[NH2+][C@H](C)c1ccc2c(c1)CC(=O)N2C ZINC000268825691 654988232 /nfs/dbraw/zinc/98/82/32/654988232.db2.gz BCHIVNAOVDRRBN-VXGBXAGGSA-N 1 0 377.286 2.904 20 0 GFADRO COCCC[C@@H](NC[C@H](O)C[NH+]1CCCC1)c1ccc(Br)cc1 ZINC000268881030 654990065 /nfs/dbraw/zinc/99/00/65/654990065.db2.gz XSTSUGZDHZATGR-ZWKOTPCHSA-N 1 0 385.346 2.963 20 0 GFADRO Clc1cnc(OCC[NH2+]Cc2cnc(N3CCOCC3)s2)c(Cl)c1 ZINC000134474620 654993870 /nfs/dbraw/zinc/99/38/70/654993870.db2.gz GUPCYRNBEHXAFH-UHFFFAOYSA-N 1 0 389.308 2.850 20 0 GFADRO C[C@H](COCC(F)(F)F)[NH2+][C@@H](C)c1cccc(N2CCCS2(=O)=O)c1 ZINC000269021908 654995568 /nfs/dbraw/zinc/99/55/68/654995568.db2.gz PVGZIAZGZJAIPR-OLZOCXBDSA-N 1 0 380.432 2.845 20 0 GFADRO O=C(NCC1([NH+]2CCSCC2)CCCC1)c1ccnc(Br)c1 ZINC000134537972 654995769 /nfs/dbraw/zinc/99/57/69/654995769.db2.gz UMXHDBLXXHVPPR-UHFFFAOYSA-N 1 0 384.343 2.936 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCCN(S(C)(=O)=O)C1)c1ccc(OCC(F)(F)F)cc1 ZINC000269033226 654995853 /nfs/dbraw/zinc/99/58/53/654995853.db2.gz SCZPBSARPBTSBZ-GXTWGEPZSA-N 1 0 380.432 2.702 20 0 GFADRO CS[C@@H]1CCCC[N@H+](CC(=O)NCC(=O)Nc2cccc(Cl)c2C)C1 ZINC000134596881 654997098 /nfs/dbraw/zinc/99/70/98/654997098.db2.gz YINURRMNQXQBOQ-CQSZACIVSA-N 1 0 383.945 2.921 20 0 GFADRO C[NH2+][C@H]1CCN(C(=O)c2ccc(NC(=O)c3ccc(Br)o3)cc2)C1 ZINC000269146517 654999736 /nfs/dbraw/zinc/99/97/36/654999736.db2.gz ZFLMWSBJJCGRDR-ZDUSSCGKSA-N 1 0 392.253 2.728 20 0 GFADRO CC(C)[NH+]1CCN(C2CCN(C(=O)NC[C@@]3(C)CC3(Cl)Cl)CC2)CC1 ZINC000838665165 661052418 /nfs/dbraw/zinc/05/24/18/661052418.db2.gz VTFHVBHTXGDOKQ-QGZVFWFLSA-N 1 0 391.387 2.770 20 0 GFADRO O=S(=O)(NCCC[NH+]1CCCCC1)c1cc(Br)ccc1F ZINC000072054739 655002645 /nfs/dbraw/zinc/00/26/45/655002645.db2.gz REULJDLVJIOFQW-UHFFFAOYSA-N 1 0 379.295 2.743 20 0 GFADRO Cc1cc(C)c(NC(=O)N[C@H](C)CN2CC[NH+](C)CC2)c(Br)c1 ZINC000269252866 655003136 /nfs/dbraw/zinc/00/31/36/655003136.db2.gz FFTBPXHZBMKGJL-CQSZACIVSA-N 1 0 383.334 2.823 20 0 GFADRO C[C@@H]1CN(C(=O)CCC[S@@](=O)c2ccc(Br)cc2)CC[C@H]1[NH3+] ZINC000269285046 655004129 /nfs/dbraw/zinc/00/41/29/655004129.db2.gz RVYWAPDDEHWZHA-AVKZDSLQSA-N 1 0 387.343 2.533 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)c2cc(F)ccc2I)C1 ZINC000269288136 655004365 /nfs/dbraw/zinc/00/43/65/655004365.db2.gz SXPARGAQOUBIQX-ZJUUUORDSA-N 1 0 376.213 2.630 20 0 GFADRO Cc1cc(COc2ccc(C(=O)N3CC([NH+](C)C)C3)cc2Br)no1 ZINC000134997408 655007293 /nfs/dbraw/zinc/00/72/93/655007293.db2.gz QTYIHTRSRBCSRK-UHFFFAOYSA-N 1 0 394.269 2.711 20 0 GFADRO CN(C(=O)NCC[C@]1(C)CC1(Cl)Cl)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000838680554 661053849 /nfs/dbraw/zinc/05/38/49/661053849.db2.gz JMCQBSGGUPKNPD-NVXWUHKLSA-N 1 0 391.387 2.770 20 0 GFADRO C[C@@]1(CCNC(=O)N2CC[NH+](CC3CCOCC3)CC2)CC1(Cl)Cl ZINC000838685668 661054418 /nfs/dbraw/zinc/05/44/18/661054418.db2.gz HVUWTNJCGUZAIV-MRXNPFEDSA-N 1 0 378.344 2.714 20 0 GFADRO C[NH+](C)[C@@]1(CNC(=O)c2cc(F)c(F)cc2Br)CCSC1 ZINC000269660795 655016106 /nfs/dbraw/zinc/01/61/06/655016106.db2.gz QHBRLFVPGZQQEO-CQSZACIVSA-N 1 0 379.270 2.894 20 0 GFADRO CCOC(=O)C1(NC(=O)COc2ccc(Cl)c(Cl)c2)CC[NH+](C)CC1 ZINC000135449479 655017336 /nfs/dbraw/zinc/01/73/36/655017336.db2.gz MNDMIDQWSRRAJF-UHFFFAOYSA-N 1 0 389.279 2.516 20 0 GFADRO C[N@H+](CCN1CCCC1=O)Cc1cc(Br)c2c(c1)OCCCO2 ZINC000093320166 655018315 /nfs/dbraw/zinc/01/83/15/655018315.db2.gz OGJYOFSWEYZPFR-UHFFFAOYSA-N 1 0 383.286 2.665 20 0 GFADRO COc1cc(CNC(=O)C[NH+]2CCC(C)CC2)cc(Br)c1OC ZINC000135525899 655019116 /nfs/dbraw/zinc/01/91/16/655019116.db2.gz STJHCPMNWQJFCR-UHFFFAOYSA-N 1 0 385.302 2.814 20 0 GFADRO COCC[N@H+](CCC(=O)OC)CC1=Cc2cc(Br)ccc2OC1 ZINC000093416035 655019629 /nfs/dbraw/zinc/01/96/29/655019629.db2.gz XERGNQMWSKNXCB-UHFFFAOYSA-N 1 0 384.270 2.736 20 0 GFADRO C[N@H+](CCOc1ccccc1Br)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000093791186 655020629 /nfs/dbraw/zinc/02/06/29/655020629.db2.gz VKOWBEOEJIABBK-GFCCVEGCSA-N 1 0 395.219 2.923 20 0 GFADRO COc1cc(Br)c(CN2CC[NH+](C[C@H]3CCOC3)CC2)c(OC)c1 ZINC000093817484 655021322 /nfs/dbraw/zinc/02/13/22/655021322.db2.gz IFVMUZFVRSPIIN-CQSZACIVSA-N 1 0 399.329 2.620 20 0 GFADRO COCC[N@@H+]1CCCN(C(=O)c2cccc(Br)c2Cl)CC1 ZINC000136093978 655027548 /nfs/dbraw/zinc/02/75/48/655027548.db2.gz SZBPZOXBGYBELD-UHFFFAOYSA-N 1 0 375.694 2.897 20 0 GFADRO C[NH+](C)CCn1cc(NS(=O)(=O)c2c(Cl)cccc2Cl)ccc1=O ZINC000270071891 655033247 /nfs/dbraw/zinc/03/32/47/655033247.db2.gz XQSVRXAUVVPYDX-UHFFFAOYSA-N 1 0 390.292 2.518 20 0 GFADRO C[C@H]1C[C@H](NS(=O)(=O)c2ccc(Br)cc2Cl)CC[N@@H+]1C ZINC000097602708 655037051 /nfs/dbraw/zinc/03/70/51/655037051.db2.gz SABWAKPPJVVHGJ-GXSJLCMTSA-N 1 0 381.723 2.864 20 0 GFADRO C[NH+]1CCC([C@@H]2CCN(S(=O)(=O)c3ccc(Cl)nc3Cl)C2)CC1 ZINC000270258899 655039134 /nfs/dbraw/zinc/03/91/34/655039134.db2.gz SVCDFSJRZUBLJY-GFCCVEGCSA-N 1 0 378.325 2.741 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC000137572122 655040875 /nfs/dbraw/zinc/04/08/75/655040875.db2.gz JRKRFRKULQTYHX-ZDUSSCGKSA-N 1 0 377.286 2.625 20 0 GFADRO Cc1ccc(I)c(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000101684846 655046114 /nfs/dbraw/zinc/04/61/14/655046114.db2.gz QAJQRJROVSMLFP-LBPRGKRZSA-N 1 0 384.261 2.814 20 0 GFADRO C[NH+](C)C1CCN(C(=O)[C@@]23CCC(=O)N2c2cc(Cl)ccc2S3)CC1 ZINC000101686990 655046126 /nfs/dbraw/zinc/04/61/26/655046126.db2.gz UKQATGWXGVQLNY-SFHVURJKSA-N 1 0 379.913 2.821 20 0 GFADRO C[NH+]1CCC(NC(=O)N2CCO[C@@H](c3ccccc3Br)C2)CC1 ZINC000101771362 655047201 /nfs/dbraw/zinc/04/72/01/655047201.db2.gz QGLGBBYDWCDNGP-MRXNPFEDSA-N 1 0 382.302 2.626 20 0 GFADRO Cc1csc(Sc2ccc(NC(=O)C(=O)NCCC[NH+](C)C)cc2)n1 ZINC000102078290 655050563 /nfs/dbraw/zinc/05/05/63/655050563.db2.gz KOEXJDUGAZNVDH-UHFFFAOYSA-N 1 0 378.523 2.609 20 0 GFADRO CCN1CCN(C(=O)C(=O)Nc2cccc(Cl)c2SC(F)F)CC1 ZINC000102084513 655050781 /nfs/dbraw/zinc/05/07/81/655050781.db2.gz IWKBEXWFUCUAGL-UHFFFAOYSA-N 1 0 377.844 2.757 20 0 GFADRO C[C@@H]([NH2+]CCC(=O)N1CCCC1)c1cc2c(cc1Br)OCCO2 ZINC000838917513 661063482 /nfs/dbraw/zinc/06/34/82/661063482.db2.gz OUIDVNLSUYMIND-GFCCVEGCSA-N 1 0 383.286 2.883 20 0 GFADRO CC[N@H+](CCNC(=O)Cc1csc(NC(=O)c2cccs2)n1)C(C)C ZINC000102481540 655055494 /nfs/dbraw/zinc/05/54/94/655055494.db2.gz JIQDFHINVOELCL-UHFFFAOYSA-N 1 0 380.539 2.846 20 0 GFADRO C[C@@H](CNC(=O)C(C)(C)c1cccc(Br)c1)C[NH+]1CCN(C)CC1 ZINC000102488997 655055623 /nfs/dbraw/zinc/05/56/23/655055623.db2.gz GAQLECLTFWYFQJ-HNNXBMFYSA-N 1 0 396.373 2.726 20 0 GFADRO CC[N@H+](CCNC(=O)NCc1cc2c(c(Br)c1)OCO2)C(C)C ZINC000102561873 655056069 /nfs/dbraw/zinc/05/60/69/655056069.db2.gz OKSFSPJQSWQFTF-UHFFFAOYSA-N 1 0 386.290 2.707 20 0 GFADRO O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)c1cc(Cl)c(Cl)[nH]1 ZINC000270927427 655060289 /nfs/dbraw/zinc/06/02/89/655060289.db2.gz UWUJUKHLLDLJGC-HIFRSBDPSA-N 1 0 382.291 2.934 20 0 GFADRO CC[NH+](CC)CCN(C(=O)c1cccc(C)c1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000270982858 655062426 /nfs/dbraw/zinc/06/24/26/655062426.db2.gz BVCJDAIMOCBKTF-HNNXBMFYSA-N 1 0 386.945 2.620 20 0 GFADRO O=[N+]([O-])c1ccc([C@@H](O)[C@@H](CO)[NH2+]Cc2ccccc2Br)cc1 ZINC000153017951 655063772 /nfs/dbraw/zinc/06/37/72/655063772.db2.gz FQTFWRVRIGBNGV-HZPDHXFCSA-N 1 0 381.226 2.541 20 0 GFADRO COc1cccc(NC(=[NH2+])NC[C@@H](O)COc2ccccc2Br)c1 ZINC000153188341 655065205 /nfs/dbraw/zinc/06/52/05/655065205.db2.gz IVEJIMKCKAKZKR-CYBMUJFWSA-N 1 0 394.269 2.624 20 0 GFADRO C[C@H](CN1CC[NH+](CCC(=O)N(C)C)CC1)c1cccc(Br)c1 ZINC000271188485 655069456 /nfs/dbraw/zinc/06/94/56/655069456.db2.gz OBSLUCSVVRQKAU-OAHLLOKOSA-N 1 0 382.346 2.649 20 0 GFADRO C[N@H+](CC1CCS(=O)(=O)CC1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000271217699 655071212 /nfs/dbraw/zinc/07/12/12/655071212.db2.gz JDQZYQWFGNKXJY-CVEARBPZSA-N 1 0 378.321 2.708 20 0 GFADRO C[C@@H](C(=O)Nc1ccc(Br)cc1)[NH+]1CCC(CCC(N)=O)CC1 ZINC000271278304 655074112 /nfs/dbraw/zinc/07/41/12/655074112.db2.gz YYRUJWBWCIOKFJ-LBPRGKRZSA-N 1 0 382.302 2.754 20 0 GFADRO C[NH+](C)[C@H]1CCN(c2ccc(NC(=O)c3cccc(Br)n3)nc2)C1 ZINC000271287912 655074542 /nfs/dbraw/zinc/07/45/42/655074542.db2.gz QUYDAIQTNUPYGW-ZDUSSCGKSA-N 1 0 390.285 2.632 20 0 GFADRO C[C@H]1CCC[C@H](C)[NH+]1CC(=O)NCC(=O)Nc1ccccc1Br ZINC000104077701 655078417 /nfs/dbraw/zinc/07/84/17/655078417.db2.gz LCWUPFPFWDHGBI-STQMWFEESA-N 1 0 382.302 2.767 20 0 GFADRO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]C[C@H](O)c2c(F)cccc2Cl)c1 ZINC000271453638 655081984 /nfs/dbraw/zinc/08/19/84/655081984.db2.gz GFIXNYTZBPPPSA-BZNIZROVSA-N 1 0 386.876 2.771 20 0 GFADRO O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000155201960 655082166 /nfs/dbraw/zinc/08/21/66/655082166.db2.gz BGDIDDNCDATTPV-LBPRGKRZSA-N 1 0 383.246 2.963 20 0 GFADRO COc1ccc2c(c1)[C@H]([NH2+]C[C@H](O)CS(=O)(=O)c1cccs1)CCC2 ZINC000271535622 655084496 /nfs/dbraw/zinc/08/44/96/655084496.db2.gz RWGDSECGDIYGKR-WMLDXEAASA-N 1 0 381.519 2.559 20 0 GFADRO COc1cc([C@@H](C)[NH2+]CCOCCS(C)(=O)=O)ccc1SC(F)F ZINC000271568094 655086112 /nfs/dbraw/zinc/08/61/12/655086112.db2.gz YVHFGOLOFLEDRL-LLVKDONJSA-N 1 0 383.482 2.722 20 0 GFADRO C[C@@H]([NH2+]CCNc1ncc(Cl)cc1Cl)c1cccc(S(N)(=O)=O)c1 ZINC000271669068 655090605 /nfs/dbraw/zinc/09/06/05/655090605.db2.gz IBKUBPBKDUFCEF-SNVBAGLBSA-N 1 0 389.308 2.799 20 0 GFADRO COc1cccc2c1OC[C@H]([NH2+][C@H](C(N)=O)c1ccc(Br)cc1)C2 ZINC000105402488 655092879 /nfs/dbraw/zinc/09/28/79/655092879.db2.gz GCECMPKJYJTWJG-ZBFHGGJFSA-N 1 0 391.265 2.577 20 0 GFADRO CCn1nc(C)c(C[NH2+]CCNC(=O)c2ccc(Br)cc2)c1C ZINC000105422044 655093106 /nfs/dbraw/zinc/09/31/06/655093106.db2.gz VVIIKHJZXZXKAK-UHFFFAOYSA-N 1 0 379.302 2.802 20 0 GFADRO C[C@@H]([NH2+]CCn1cc(Br)cn1)c1cccc(N2CCOC2=O)c1 ZINC000271827662 655096077 /nfs/dbraw/zinc/09/60/77/655096077.db2.gz QZZYTJJYQSFSSZ-GFCCVEGCSA-N 1 0 379.258 2.953 20 0 GFADRO CN(CCCN1CC[NH+](C)CC1)C(=O)C[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000271832838 655096305 /nfs/dbraw/zinc/09/63/05/655096305.db2.gz SGYVQVKNOURZOH-QGZVFWFLSA-N 1 0 388.339 2.513 20 0 GFADRO CC[C@H]([NH2+]C[C@H]1CCCN1S(C)(=O)=O)c1cc(Br)ccc1O ZINC000156893508 655096932 /nfs/dbraw/zinc/09/69/32/655096932.db2.gz VHBOKXZMHYVIQY-OCCSQVGLSA-N 1 0 391.331 2.619 20 0 GFADRO COc1cc(Cl)c(C[NH2+][C@H]2CCO[C@]3(CCS(=O)(=O)C3)C2)cc1Cl ZINC000271916737 655098445 /nfs/dbraw/zinc/09/84/45/655098445.db2.gz BENKRVDRZYPPMN-BLLLJJGKSA-N 1 0 394.320 2.828 20 0 GFADRO O=C(C[C@H]1CSCCS1)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000157308705 655099901 /nfs/dbraw/zinc/09/99/01/655099901.db2.gz OKTJXXMZXJCBRD-SFHVURJKSA-N 1 0 379.595 2.554 20 0 GFADRO CC(C)CS(=O)(=O)N1CCC([NH2+]Cc2cnc3ccc(Cl)cn23)CC1 ZINC000272028105 655100997 /nfs/dbraw/zinc/10/09/97/655100997.db2.gz TXILGBZSUJNIFC-UHFFFAOYSA-N 1 0 384.933 2.528 20 0 GFADRO C[C@@H](O)C[N@@H+]1CCN(CC(=O)Nc2cc(Cl)c(Cl)cc2Cl)C[C@H]1C ZINC000106100677 655102480 /nfs/dbraw/zinc/10/24/80/655102480.db2.gz XKHWKZJSYRGBPV-GHMZBOCLSA-N 1 0 394.730 2.972 20 0 GFADRO Cc1c(C(=O)N2CC[C@H]([C@H](C)[NH3+])C2)cnn1-c1ccc(Br)cc1 ZINC000272180499 655105285 /nfs/dbraw/zinc/10/52/85/655105285.db2.gz DCUOCLBYHQEBOK-AAEUAGOBSA-N 1 0 377.286 2.753 20 0 GFADRO Cc1ccc(-n2nc(Br)cc2C(=O)N2CC[C@H]([C@@H](C)[NH3+])C2)cc1 ZINC000272296415 655108270 /nfs/dbraw/zinc/10/82/70/655108270.db2.gz PZZXXBITGPWHQC-OLZOCXBDSA-N 1 0 377.286 2.753 20 0 GFADRO COc1ccc(Br)cc1CNC(=O)N1CC[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000272322724 655108960 /nfs/dbraw/zinc/10/89/60/655108960.db2.gz IWJFMZGCRDNKGY-DOMZBBRYSA-N 1 0 382.302 2.693 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)c1ccn(-c2cccc(Br)c2)n1)C1CC1 ZINC000106747310 655110594 /nfs/dbraw/zinc/11/05/94/655110594.db2.gz WWNHEMGVVXIDOX-INIZCTEOSA-N 1 0 377.286 2.705 20 0 GFADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)c1ccc(C2SCCCS2)cc1 ZINC000106818697 655111822 /nfs/dbraw/zinc/11/18/22/655111822.db2.gz NZGHUBCLCZGIEH-OAHLLOKOSA-N 1 0 379.595 2.921 20 0 GFADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)CCSc1nc2ccccc2s1 ZINC000106818597 655111859 /nfs/dbraw/zinc/11/18/59/655111859.db2.gz GTIJABIFTGZDIN-AWEZNQCLSA-N 1 0 378.567 2.531 20 0 GFADRO O=C(CNC(=O)c1ccc(Cl)cc1Cl)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000106919675 655115076 /nfs/dbraw/zinc/11/50/76/655115076.db2.gz CLZLULLTYHVGAA-ZDUSSCGKSA-N 1 0 384.307 2.856 20 0 GFADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)c3cc(I)ccc3F)[C@H]2C1 ZINC000272508608 655115121 /nfs/dbraw/zinc/11/51/21/655115121.db2.gz OPJGQIKSTFKWCG-YGRLFVJLSA-N 1 0 388.224 2.597 20 0 GFADRO O=C(Nc1ccc(F)cc1Br)C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000106963165 655115803 /nfs/dbraw/zinc/11/58/03/655115803.db2.gz RZBQKGCNRZBFMS-LBPRGKRZSA-N 1 0 398.276 2.660 20 0 GFADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)C[C@@H]3Sc4ccc(Cl)cc4NC3=O)[C@@H]2C1 ZINC000272620387 655117492 /nfs/dbraw/zinc/11/74/92/655117492.db2.gz LTBVZRPTNLTJBU-XFJVYGCCSA-N 1 0 379.913 2.696 20 0 GFADRO COCC[NH+]1CCC(NC(=O)CCc2cc(Br)cs2)CC1 ZINC000107230836 655118771 /nfs/dbraw/zinc/11/87/71/655118771.db2.gz ASZBNZAWMPNPPU-UHFFFAOYSA-N 1 0 375.332 2.670 20 0 GFADRO COc1ccc(CNC(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)cc1Br ZINC000272704886 655119846 /nfs/dbraw/zinc/11/98/46/655119846.db2.gz GJVJVJLFYWSGDR-LBPRGKRZSA-N 1 0 382.302 2.907 20 0 GFADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)CCc1cc(Br)cs1 ZINC000107352666 655120120 /nfs/dbraw/zinc/12/01/20/655120120.db2.gz MCYBYOGVGAICNG-CYBMUJFWSA-N 1 0 375.332 2.670 20 0 GFADRO Cc1cc(NC(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)cnc1Br ZINC000272851464 655123429 /nfs/dbraw/zinc/12/34/29/655123429.db2.gz NSBNCUITWJTGMK-LSDHHAIUSA-N 1 0 397.317 2.652 20 0 GFADRO C[N@@H+](CC(=O)Nc1ccc(I)cc1)C[C@@H]1CCCOC1 ZINC000107691883 655123723 /nfs/dbraw/zinc/12/37/23/655123723.db2.gz PQJHWOJYMIYJSA-LBPRGKRZSA-N 1 0 388.249 2.588 20 0 GFADRO CC[N@@H+]1CC[C@@H](CNC(=O)CSc2nnc(-c3ccc(Cl)cc3)o2)C1 ZINC000107887705 655126069 /nfs/dbraw/zinc/12/60/69/655126069.db2.gz FNGIIDQAHWAZME-LBPRGKRZSA-N 1 0 380.901 2.940 20 0 GFADRO C[N@@H+]1CCC[C@H](CNC(=O)CSc2nnc(-c3ccc(Cl)cc3)o2)C1 ZINC000108330100 655131266 /nfs/dbraw/zinc/13/12/66/655131266.db2.gz ADSPMEFCCQMRPN-GFCCVEGCSA-N 1 0 380.901 2.940 20 0 GFADRO O=C(C[NH2+][C@@H](CO)c1ccc(Br)cc1)N1CCc2sccc2C1 ZINC000273147627 655132058 /nfs/dbraw/zinc/13/20/58/655132058.db2.gz WFYIIWPPPAUAJZ-HNNXBMFYSA-N 1 0 395.322 2.719 20 0 GFADRO O=C1CCCN1CCC[NH2+]Cc1ncc(Br)cc1Br ZINC000273174301 655133599 /nfs/dbraw/zinc/13/35/99/655133599.db2.gz FTEMNVFBKDROAR-UHFFFAOYSA-N 1 0 391.107 2.709 20 0 GFADRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)c2sccc2S(=O)(=O)C(F)F)C1 ZINC000163539535 655135570 /nfs/dbraw/zinc/13/55/70/655135570.db2.gz FTRQSAOCXATLJY-GFCCVEGCSA-N 1 0 394.509 2.842 20 0 GFADRO O=S1(=O)CCC([NH2+]Cc2ccc(Br)c(Br)c2)CC1 ZINC000163629584 655135855 /nfs/dbraw/zinc/13/58/55/655135855.db2.gz IYHSKYLZWZQXDT-UHFFFAOYSA-N 1 0 397.132 2.878 20 0 GFADRO COC(=O)C[C@@H](NC(=O)CC1CC[NH+](C)CC1)c1cccc(Br)c1 ZINC000273284848 655138017 /nfs/dbraw/zinc/13/80/17/655138017.db2.gz XDRSRKQUOUTFCV-MRXNPFEDSA-N 1 0 397.313 2.901 20 0 GFADRO CC(C)(CNC(=O)C(=O)Nc1cc(Cl)c(N)c(Cl)c1)[NH+]1CCCCC1 ZINC000839455775 661085152 /nfs/dbraw/zinc/08/51/52/661085152.db2.gz KTNIDCNAFHMWTI-UHFFFAOYSA-N 1 0 387.311 2.895 20 0 GFADRO C[C@@H](CNC(=O)C(=O)Nc1cc(Cl)c(N)c(Cl)c1)[N@@H+]1CCCC[C@@H]1C ZINC000839459143 661085346 /nfs/dbraw/zinc/08/53/46/661085346.db2.gz KUOARMAQSHSNOC-QWRGUYRKSA-N 1 0 387.311 2.893 20 0 GFADRO CCS(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@@H](C)C[NH+]2CCCCC2)c1 ZINC000110058988 655155137 /nfs/dbraw/zinc/15/51/37/655155137.db2.gz PLQBSUOLBIGIFY-CQSZACIVSA-N 1 0 386.945 2.985 20 0 GFADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)Nc1ccc(SC(F)(F)F)nc1 ZINC000839180305 661075325 /nfs/dbraw/zinc/07/53/25/661075325.db2.gz UULHXWZSPRTKSI-NWDGAFQWSA-N 1 0 376.404 2.678 20 0 GFADRO Ic1cccc(-c2nc([C@H]3C[N@@H+]4CCC[C@@H]4CO3)no2)c1 ZINC000273864719 655161533 /nfs/dbraw/zinc/16/15/33/655161533.db2.gz DFRCZYWNJAZZAR-CHWSQXEVSA-N 1 0 397.216 2.877 20 0 GFADRO CNC(=O)[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccc(Br)c(C)c2)C1 ZINC000111265115 655167310 /nfs/dbraw/zinc/16/73/10/655167310.db2.gz HWJNXAVTQOKCSU-OLZOCXBDSA-N 1 0 382.302 2.543 20 0 GFADRO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NC[C@@H](O)c1ccc(Cl)cc1Cl ZINC000173321299 655168153 /nfs/dbraw/zinc/16/81/53/655168153.db2.gz SWLZUTQNXGZCBY-IAGOWNOFSA-N 1 0 389.323 2.936 20 0 GFADRO COc1ccc(Cl)cc1NC(=O)CN1C[C@H](SC)[C@@H]([NH+]2CCCC2)C1 ZINC000273998555 655168241 /nfs/dbraw/zinc/16/82/41/655168241.db2.gz JMTSRJLDMHJGOF-RDJZCZTQSA-N 1 0 383.945 2.799 20 0 GFADRO C[NH+](C)CCOc1cc(-c2noc(-c3cncc(Br)c3)n2)ccn1 ZINC000274000736 655168249 /nfs/dbraw/zinc/16/82/49/655168249.db2.gz REQJDEBPIHLDID-UHFFFAOYSA-N 1 0 390.241 2.897 20 0 GFADRO COCCC[N@H+](C)CCNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000173431290 655171943 /nfs/dbraw/zinc/17/19/43/655171943.db2.gz GNCCRCAVLZQMDL-UHFFFAOYSA-N 1 0 388.839 2.605 20 0 GFADRO COc1ccc([C@@H](C)[NH2+][C@@H]2CCN(c3cnn(C)c3)C2=O)cc1Br ZINC000111371195 655172033 /nfs/dbraw/zinc/17/20/33/655172033.db2.gz AOCNEOOKBMVJFE-IAQYHMDHSA-N 1 0 393.285 2.647 20 0 GFADRO COc1ccc(Br)cc1CC(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1 ZINC000173549895 655174581 /nfs/dbraw/zinc/17/45/81/655174581.db2.gz IATJXDZKVMVKPK-INIZCTEOSA-N 1 0 399.329 2.569 20 0 GFADRO CC(C)([NH2+]CCC(=O)Nc1cccc(Br)c1)C(=O)N1CCCC1 ZINC000839589327 661093947 /nfs/dbraw/zinc/09/39/47/661093947.db2.gz JZYVCTSKLXCDPI-UHFFFAOYSA-N 1 0 382.302 2.768 20 0 GFADRO COC(=O)c1ccc(Cl)c(S(=O)(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)c1 ZINC000173670021 655175938 /nfs/dbraw/zinc/17/59/38/655175938.db2.gz NEXMGCMAQNKSIO-AWEZNQCLSA-N 1 0 388.917 2.622 20 0 GFADRO CC[NH+]1CCN([C@H]2CCN(C(=O)Nc3cc(Br)ccc3F)C2)CC1 ZINC000111773365 655177184 /nfs/dbraw/zinc/17/71/84/655177184.db2.gz IOOJIENQBQIWJP-AWEZNQCLSA-N 1 0 399.308 2.832 20 0 GFADRO CCOCCN1CCN(C(=O)NCCCc2cccc(Br)c2)CC1 ZINC000111862994 655178270 /nfs/dbraw/zinc/17/82/70/655178270.db2.gz YYSCLEWRPUZKLC-UHFFFAOYSA-N 1 0 398.345 2.745 20 0 GFADRO O[C@H](COc1ccc(Br)cc1)CN1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000173872560 655183358 /nfs/dbraw/zinc/18/33/58/655183358.db2.gz AXLMYTBBNAJMHW-AEFFLSMTSA-N 1 0 397.357 2.997 20 0 GFADRO CC[NH+](CC)C[C@@H]1CCN(S(=O)(=O)c2ccc(Br)cc2)C1 ZINC000173919558 655185517 /nfs/dbraw/zinc/18/55/17/655185517.db2.gz PBYVVDVVKSPGCL-ZDUSSCGKSA-N 1 0 375.332 2.802 20 0 GFADRO CCC[NH+]1CCC(N2CCN(C(=O)c3cc(Cl)c(Cl)n3C)CC2)CC1 ZINC000112324825 655188690 /nfs/dbraw/zinc/18/86/90/655188690.db2.gz GYHXYQAENDKGEW-UHFFFAOYSA-N 1 0 387.355 2.964 20 0 GFADRO COCC1CC[NH+](CC(=O)N(C)CCOc2ccc(Br)cc2)CC1 ZINC000112354843 655189209 /nfs/dbraw/zinc/18/92/09/655189209.db2.gz CIBPQYWCIDSCEZ-UHFFFAOYSA-N 1 0 399.329 2.645 20 0 GFADRO CCOc1cc(C[NH2+]CCCOCCOCCOC)cc(Cl)c1OC ZINC000274453314 655189354 /nfs/dbraw/zinc/18/93/54/655189354.db2.gz WKRPSYVUKPWTDI-UHFFFAOYSA-N 1 0 375.893 2.907 20 0 GFADRO C[N@H+](C[C@H](O)COc1ccccc1F)C[C@@H](O)c1cccc(Br)c1 ZINC000839635754 661097432 /nfs/dbraw/zinc/09/74/32/661097432.db2.gz KCQNZCHTEJKTFT-DOTOQJQBSA-N 1 0 398.272 2.993 20 0 GFADRO Cn1nnc2cc(C[N@H+](C)C[C@@H](O)c3cccc(Br)c3)ccc21 ZINC000839642246 661098028 /nfs/dbraw/zinc/09/80/28/661098028.db2.gz QBMYFLKMOPUJNA-QGZVFWFLSA-N 1 0 375.270 2.896 20 0 GFADRO Cc1ccc(Cl)c(S(=O)(=O)N[C@H](C)CCN2CC[NH+](C)CC2)c1Cl ZINC000274664598 655196169 /nfs/dbraw/zinc/19/61/69/655196169.db2.gz PTXCSYDMSNNRJK-CYBMUJFWSA-N 1 0 394.368 2.606 20 0 GFADRO NC(=O)[C@@]1(c2ccccc2)CC[N@H+](C[C@H](O)c2ccc(Br)cc2)C1 ZINC000839643152 661098398 /nfs/dbraw/zinc/09/83/98/661098398.db2.gz PJCDHQPWNOBHSZ-HKUYNNGSSA-N 1 0 389.293 2.612 20 0 GFADRO CC[NH+]1CCN([C@@H](C)CNC(=O)c2cc3cc(Br)ccc3[nH]2)CC1 ZINC000112916934 655199589 /nfs/dbraw/zinc/19/95/89/655199589.db2.gz ITMNWGVFTMORKK-ZDUSSCGKSA-N 1 0 393.329 2.686 20 0 GFADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)NCc2ccccc2Br)CC1 ZINC000174427836 655202522 /nfs/dbraw/zinc/20/25/22/655202522.db2.gz JPGIOCCZVOQRMR-HNNXBMFYSA-N 1 0 397.361 2.522 20 0 GFADRO C[N@H+](C[C@@H](O)COc1cc(Cl)ccc1Cl)C(C)(C)CN1CCOCC1 ZINC000839674449 661099520 /nfs/dbraw/zinc/09/95/20/661099520.db2.gz PCXQWOKMETUOMH-OAHLLOKOSA-N 1 0 391.339 2.776 20 0 GFADRO C[C@@H](NC(=O)CN1CC[C@](O)(C(F)(F)F)C1)c1ccc(Br)cc1 ZINC000174754037 655207698 /nfs/dbraw/zinc/20/76/98/655207698.db2.gz YQWHBAZPBABROX-QMTHXVAHSA-N 1 0 395.219 2.625 20 0 GFADRO CS[C@@H]1CN(C[C@H](O)c2ccc(Br)cc2)C[C@@H]1[NH+]1CCCC1 ZINC000275003716 655210934 /nfs/dbraw/zinc/21/09/34/655210934.db2.gz AYINUNKLBSPKEA-YESZJQIVSA-N 1 0 385.371 2.994 20 0 GFADRO COC(=O)CC[N@H+](CC(=O)N[C@H](C)c1ccc(Br)cc1)C(C)C ZINC000113506576 655211346 /nfs/dbraw/zinc/21/13/46/655211346.db2.gz YHHHDYBFTJRXBI-CYBMUJFWSA-N 1 0 385.302 2.900 20 0 GFADRO C[C@H](NC(=O)C(=O)Nc1cc(Cl)c(N)c(Cl)c1)C(C)(C)C[NH+](C)C ZINC000839504278 661088468 /nfs/dbraw/zinc/08/84/68/661088468.db2.gz LHHHIIGDKONGGL-VIFPVBQESA-N 1 0 375.300 2.607 20 0 GFADRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C1(c2ccc(Br)cc2)CCOCC1 ZINC000275158300 655220388 /nfs/dbraw/zinc/22/03/88/655220388.db2.gz NLZFLWBWSVRILC-BBRMVZONSA-N 1 0 381.314 2.612 20 0 GFADRO C[NH+](C)CCN(Cc1ccccn1)C(=O)C(=O)c1ccc(Br)cc1 ZINC000114331784 655222042 /nfs/dbraw/zinc/22/20/42/655222042.db2.gz RNKBKUUUWJZTPQ-UHFFFAOYSA-N 1 0 390.281 2.617 20 0 GFADRO C[NH+](C)C[C@H]1CCN(C(=O)c2ccc(-n3cc(Br)cn3)cc2)C1 ZINC000114400112 655223308 /nfs/dbraw/zinc/22/33/08/655223308.db2.gz ONPQTNAETPQDFI-CYBMUJFWSA-N 1 0 377.286 2.659 20 0 GFADRO CC(C)[NH2+]C1CCN(CCS(=O)(=O)c2cccc(Br)c2)CC1 ZINC000175637265 655224594 /nfs/dbraw/zinc/22/45/94/655224594.db2.gz DVVVLJHDBCYCIX-UHFFFAOYSA-N 1 0 389.359 2.685 20 0 GFADRO Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1[NH2+]C[C@H](O)c1ccc(Br)cc1 ZINC000275271954 655226193 /nfs/dbraw/zinc/22/61/93/655226193.db2.gz JLMIABOPDDLSCK-BQFCYCMXSA-N 1 0 394.313 2.953 20 0 GFADRO C[N@@H+]1CC[C@H](CNC(=O)c2ccc(I)c(Cl)c2)C1 ZINC000175731755 655226397 /nfs/dbraw/zinc/22/63/97/655226397.db2.gz GKTDONOPKBFAJH-SECBINFHSA-N 1 0 378.641 2.626 20 0 GFADRO C[C@@H](CNC(=O)N1CCC[C@H]([NH+](C)C)C1)Oc1ccccc1Br ZINC000175976900 655230533 /nfs/dbraw/zinc/23/05/33/655230533.db2.gz VKXPVXCEFFMVMN-KBPBESRZSA-N 1 0 384.318 2.952 20 0 GFADRO Cn1ccnc1[C@H]1OCCC[C@@H]1[NH2+]Cc1cc2c(c(Br)c1)OCO2 ZINC000275360314 655231911 /nfs/dbraw/zinc/23/19/11/655231911.db2.gz AXZFZYNDKASZTJ-BBRMVZONSA-N 1 0 394.269 2.921 20 0 GFADRO Cn1ccnc1[C@H]1OCC[C@@H]1[NH2+]Cc1cc(Br)c2c(c1)OCCO2 ZINC000275360319 655231924 /nfs/dbraw/zinc/23/19/24/655231924.db2.gz AYBXNUMQCDNPRW-BBRMVZONSA-N 1 0 394.269 2.574 20 0 GFADRO NC(=O)c1cnn2c1C[C@H](C[NH2+][C@H]1CCc3c1cccc3Br)CC2 ZINC000275366118 655232113 /nfs/dbraw/zinc/23/21/13/655232113.db2.gz BQIIHDTVKPTTCP-BZNIZROVSA-N 1 0 389.297 2.584 20 0 GFADRO CSc1nnc(CNC(=O)N2CCN(Cc3ccccc3)C[C@@H]2C)s1 ZINC000275442823 655236309 /nfs/dbraw/zinc/23/63/09/655236309.db2.gz QULPBUMNYNQGPH-ZDUSSCGKSA-N 1 0 377.539 2.676 20 0 GFADRO CC(C)(C)NS(=O)(=O)c1ccc(Cl)c(C(=O)NCC[NH2+]C(C)(C)C)c1 ZINC000176165377 655238036 /nfs/dbraw/zinc/23/80/36/655238036.db2.gz PNDYEBANJHYVMH-UHFFFAOYSA-N 1 0 389.949 2.535 20 0 GFADRO C[NH+](C)CCN(Cc1ccco1)C(=O)c1cc2c(c(Br)c1)OCO2 ZINC000176176194 655238435 /nfs/dbraw/zinc/23/84/35/655238435.db2.gz OSRKOXPVLWFVLB-UHFFFAOYSA-N 1 0 395.253 2.975 20 0 GFADRO COc1ccc(Br)cc1CNC(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000115814124 655242501 /nfs/dbraw/zinc/24/25/01/655242501.db2.gz DDQHFDBVDIVUHI-ZDUSSCGKSA-N 1 0 384.318 2.941 20 0 GFADRO COc1ccc(CNC(=O)N(C)C[C@H]2CCC[N@H+](C)C2)cc1Br ZINC000115816830 655242551 /nfs/dbraw/zinc/24/25/51/655242551.db2.gz XPAVHLMNNOGEDE-AWEZNQCLSA-N 1 0 384.318 2.941 20 0 GFADRO Cc1ccc([C@@H]2CSCC[N@@H+]2CCc2ccc(S(N)(=O)=O)cc2)cc1 ZINC000116325969 655247427 /nfs/dbraw/zinc/24/74/27/655247427.db2.gz HKHRZJJPHVCDGU-IBGZPJMESA-N 1 0 376.547 2.975 20 0 GFADRO [NH3+][C@@H]1CCC[C@H](NC(=O)CCC[S@](=O)c2ccc(Br)cc2)C1 ZINC000275803046 655251761 /nfs/dbraw/zinc/25/17/61/655251761.db2.gz TZSFZIPLPWLFBN-QLEMLULZSA-N 1 0 387.343 2.723 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)C(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1 ZINC000275847136 655253401 /nfs/dbraw/zinc/25/34/01/655253401.db2.gz KPDDBTZQOZRRHI-ZDUSSCGKSA-N 1 0 396.329 2.885 20 0 GFADRO CN(CC[N@H+](C)C1CC1)C(=O)C(=O)Nc1cccc(C2SCCS2)c1 ZINC000275860763 655253811 /nfs/dbraw/zinc/25/38/11/655253811.db2.gz CQMCYCBXABLEPW-UHFFFAOYSA-N 1 0 379.551 2.656 20 0 GFADRO Cc1cc(S(=O)(=O)N(C)C2CC[NH+](C)CC2)c(C)cc1Br ZINC000116897341 655255605 /nfs/dbraw/zinc/25/56/05/655255605.db2.gz MQPVELFMDDPVJI-UHFFFAOYSA-N 1 0 375.332 2.781 20 0 GFADRO C[S@](=O)CCCNC(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000116957173 655257708 /nfs/dbraw/zinc/25/77/08/655257708.db2.gz JXVKKGAKHLXKKY-RUZDIDTESA-N 1 0 385.961 2.620 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000176883386 655258991 /nfs/dbraw/zinc/25/89/91/655258991.db2.gz NGZCHTULKBPHIF-AWEZNQCLSA-N 1 0 382.302 2.944 20 0 GFADRO O=S(=O)(NC1CC[NH+](C2CCCC2)CC1)c1c(Cl)nc2ccccn21 ZINC000176937600 655262897 /nfs/dbraw/zinc/26/28/97/655262897.db2.gz PTOZODVSDSPKDP-UHFFFAOYSA-N 1 0 382.917 2.673 20 0 GFADRO C[NH+](C)C1CCN(CCNC(=O)C2(c3ccc(Br)cc3)CC2)CC1 ZINC000177138460 655269755 /nfs/dbraw/zinc/26/97/55/655269755.db2.gz RYUGQKQGTUDNAA-UHFFFAOYSA-N 1 0 394.357 2.623 20 0 GFADRO Cc1ccc(NC(=O)C(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)cc1Br ZINC000118112462 655271852 /nfs/dbraw/zinc/27/18/52/655271852.db2.gz FSDWMOXIXQNMBH-AWEZNQCLSA-N 1 0 396.329 2.933 20 0 GFADRO CCN(CCC[NH+](CC)CC)C(=O)c1nccn2c(Br)cnc12 ZINC000276412896 655274877 /nfs/dbraw/zinc/27/48/77/655274877.db2.gz IECPXCQPWAEYSE-UHFFFAOYSA-N 1 0 382.306 2.686 20 0 GFADRO CC[NH+](CC)CCNC(=O)C(=O)Nc1cc(F)ccc1SCC(F)F ZINC000118950812 655284099 /nfs/dbraw/zinc/28/40/99/655284099.db2.gz ISENIJIKEBVJEY-UHFFFAOYSA-N 1 0 377.432 2.579 20 0 GFADRO COCC[N@H+](C)CCNC(=O)N1CCC[C@@H]1c1ccccc1Br ZINC000118952566 655284131 /nfs/dbraw/zinc/28/41/31/655284131.db2.gz VIHXTBJQNNUQMA-MRXNPFEDSA-N 1 0 384.318 2.874 20 0 GFADRO C[C@@H]1CC[C@H]([NH2+]CC(=O)NCC(=O)Nc2ccccc2Br)[C@H](C)C1 ZINC000119172871 655291847 /nfs/dbraw/zinc/29/18/47/655291847.db2.gz KJGSQCKHVHELKJ-NFAWXSAZSA-N 1 0 396.329 2.918 20 0 GFADRO COC(=O)c1cc(C[NH2+]C[C@@H](CO)Cc2cccc(Br)c2)c[nH]1 ZINC000277009050 655297897 /nfs/dbraw/zinc/29/78/97/655297897.db2.gz KXVAFIUDINJJFI-AWEZNQCLSA-N 1 0 381.270 2.505 20 0 GFADRO CC(C)(C)[C@H]([NH3+])C(=O)NC1CCN(Cc2ccc(Br)cc2)CC1 ZINC000119338546 655299708 /nfs/dbraw/zinc/29/97/08/655299708.db2.gz HHAAZAMDUILQPP-MRXNPFEDSA-N 1 0 382.346 2.903 20 0 GFADRO C[C@@H](NC(=O)NCc1cn2cc(Br)ccc2n1)C(C)(C)C[NH+](C)C ZINC000119408174 655303245 /nfs/dbraw/zinc/30/32/45/655303245.db2.gz HXBHQULTGKPMLS-GFCCVEGCSA-N 1 0 396.333 2.872 20 0 GFADRO CS(=O)(=O)c1ccc(C[NH2+]C2CCN(CC(F)(F)F)CC2)cc1Cl ZINC000277125804 655304510 /nfs/dbraw/zinc/30/45/10/655304510.db2.gz NXBPEBZRJUUQCL-UHFFFAOYSA-N 1 0 384.851 2.860 20 0 GFADRO Cc1nn(Cc2cccc(Br)c2)c(C)c1C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000178752218 655309424 /nfs/dbraw/zinc/30/94/24/655309424.db2.gz OBTFCSSYDXMQFW-INIZCTEOSA-N 1 0 391.313 2.793 20 0 GFADRO C[Si](C)(C)C[NH+]1CCN(CC(=O)Nc2ccc(Br)cc2)CC1 ZINC000178799334 655309841 /nfs/dbraw/zinc/30/98/41/655309841.db2.gz XZYZGYVQTCYXTH-UHFFFAOYSA-N 1 0 384.394 2.883 20 0 GFADRO CC(C)C[C@@](C)(C[NH3+])NS(=O)(=O)c1cc(Br)cnc1Cl ZINC000178963603 655310920 /nfs/dbraw/zinc/31/09/20/655310920.db2.gz SWHJQKGJERDISZ-LBPRGKRZSA-N 1 0 384.727 2.539 20 0 GFADRO C[NH+](C)[C@H]1CCCN(C(=O)c2ccc(F)cc2I)CC1 ZINC000277287590 655311195 /nfs/dbraw/zinc/31/11/95/655311195.db2.gz NXGQUEXTNPKSEH-LBPRGKRZSA-N 1 0 390.240 2.987 20 0 GFADRO O=C(Nc1ccccc1Br)C1CC[NH+]([C@H]2CCCCNC2=O)CC1 ZINC000119892554 655319850 /nfs/dbraw/zinc/31/98/50/655319850.db2.gz SVOKOAKRDPGAQZ-INIZCTEOSA-N 1 0 394.313 2.768 20 0 GFADRO COCC[N@@H+]1CC[C@H](NC(=O)Nc2c(F)cc(F)cc2Br)C1 ZINC000277456802 655320164 /nfs/dbraw/zinc/32/01/64/655320164.db2.gz PXULJVRFLIDRAJ-JTQLQIEISA-N 1 0 378.217 2.570 20 0 GFADRO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)C1(c2ccc(Br)cc2)CCOCC1 ZINC000277460692 655320570 /nfs/dbraw/zinc/32/05/70/655320570.db2.gz IHWNYTJVDHRJEY-CJNGLKHVSA-N 1 0 381.314 2.754 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH2+][C@H]1CCC(=O)N(C)C1 ZINC000119912786 655321175 /nfs/dbraw/zinc/32/11/75/655321175.db2.gz WIZUOBJIFQYRKC-HNNXBMFYSA-N 1 0 391.313 2.962 20 0 GFADRO COC(=O)CC[N@H+](Cc1ccc(F)c(Br)c1)CC(OC)OC ZINC000180604088 655328724 /nfs/dbraw/zinc/32/87/24/655328724.db2.gz XLHKKTPVOXQAFZ-UHFFFAOYSA-N 1 0 378.238 2.572 20 0 GFADRO COc1cc(C[NH2+][C@]2(C)CCOC2)cc(I)c1OC ZINC000120140071 655329018 /nfs/dbraw/zinc/32/90/18/655329018.db2.gz YMEDUQBLVLPMSW-CQSZACIVSA-N 1 0 377.222 2.577 20 0 GFADRO CC[C@H](COC)[NH2+]Cc1cc(I)c(OC)c(OC)c1 ZINC000120195680 655330877 /nfs/dbraw/zinc/33/08/77/655330877.db2.gz SVZOVHODKWKQJJ-LLVKDONJSA-N 1 0 379.238 2.823 20 0 GFADRO CN(C)c1ccc(C(N)=[NH+]OCC(=O)N(C)Cc2ccc(Cl)s2)cc1 ZINC000120367140 655335465 /nfs/dbraw/zinc/33/54/65/655335465.db2.gz ARHGPSKAUHHINA-UHFFFAOYSA-N 1 0 380.901 2.763 20 0 GFADRO C[C@H](NC(=O)N[C@H]1COc2cc(F)c(Br)cc21)C1=CC[N@H+](C)CC1 ZINC000281868477 655339353 /nfs/dbraw/zinc/33/93/53/655339353.db2.gz KTUBZMXWAZZAQC-BONVTDFDSA-N 1 0 398.276 2.971 20 0 GFADRO CC(C)CO[C@@H]1C[C@H]([NH2+]CC2CCN(S(=O)(=O)C(F)F)CC2)C1(C)C ZINC000181953442 655341651 /nfs/dbraw/zinc/34/16/51/655341651.db2.gz YYYUVNLKGPMSSH-LSDHHAIUSA-N 1 0 382.517 2.680 20 0 GFADRO Cc1cc(NC(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)cnc1Br ZINC000182423754 655343956 /nfs/dbraw/zinc/34/39/56/655343956.db2.gz LYGYZCUPZXNGOA-STQMWFEESA-N 1 0 385.306 2.773 20 0 GFADRO O=C(COc1ccc(Br)cc1F)NCCC[NH2+]Cc1cccnc1 ZINC000120855357 655345552 /nfs/dbraw/zinc/34/55/52/655345552.db2.gz CHTMILXFBQSGTF-UHFFFAOYSA-N 1 0 396.260 2.658 20 0 GFADRO COCC[N@H+](C)CCCNC(=O)c1nc2ccccc2cc1Br ZINC000289309958 655346300 /nfs/dbraw/zinc/34/63/00/655346300.db2.gz RYWMQULGYLRSIN-UHFFFAOYSA-N 1 0 380.286 2.695 20 0 GFADRO C[N@H+](CCc1ccc(S(N)(=O)=O)cc1)Cc1cc(Br)cs1 ZINC000120940677 655346827 /nfs/dbraw/zinc/34/68/27/655346827.db2.gz LTVTXURNZORWPN-UHFFFAOYSA-N 1 0 389.340 2.833 20 0 GFADRO COCc1cc(Cl)cc(S(=O)(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)c1 ZINC000289364379 655347597 /nfs/dbraw/zinc/34/75/97/655347597.db2.gz AOVGIYIXUHTHOB-INIZCTEOSA-N 1 0 386.945 2.839 20 0 GFADRO O=C(NC[C@H]1CCCN(Cc2ccc(Br)cn2)C1)C(F)(F)F ZINC000289442454 655349435 /nfs/dbraw/zinc/34/94/35/655349435.db2.gz KHGSKCOHNILLKW-SNVBAGLBSA-N 1 0 380.208 2.735 20 0 GFADRO COc1cc(C[N@H+](C)C[C@H](O)COCC(F)(F)F)c(SC)cc1OC ZINC000292520668 655351788 /nfs/dbraw/zinc/35/17/88/655351788.db2.gz DVZALQRIHSASSM-LBPRGKRZSA-N 1 0 383.432 2.797 20 0 GFADRO O=c1c(Br)c(NCCC[NH+]2CCCCC2)cnn1-c1ccccn1 ZINC000292713348 655353743 /nfs/dbraw/zinc/35/37/43/655353743.db2.gz HMOTUNCNURFQMI-UHFFFAOYSA-N 1 0 392.301 2.678 20 0 GFADRO CC[N@H+](CCO)CCNCc1c(C)nn(Cc2ccccc2Cl)c1Cl ZINC000184541837 655357936 /nfs/dbraw/zinc/35/79/36/655357936.db2.gz NCPDLYRZAQVXBI-UHFFFAOYSA-N 1 0 385.339 2.950 20 0 GFADRO CSCc1cnc(CN[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)s1 ZINC000293635632 655360613 /nfs/dbraw/zinc/36/06/13/655360613.db2.gz RJHDZTCLMLPYON-SJLPKXTDSA-N 1 0 377.579 2.979 20 0 GFADRO CSCc1cnc(CN[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)s1 ZINC000293635629 655360639 /nfs/dbraw/zinc/36/06/39/655360639.db2.gz RJHDZTCLMLPYON-FUHWJXTLSA-N 1 0 377.579 2.979 20 0 GFADRO C[C@H](Oc1ccccc1Br)C(=O)Nc1ccnn1CC[NH+](C)C ZINC000294046423 655364651 /nfs/dbraw/zinc/36/46/51/655364651.db2.gz LAKNXLAAVVVJNG-LBPRGKRZSA-N 1 0 381.274 2.613 20 0 GFADRO C[C@H]1C[C@H](N(C)C(=O)C(=O)N(C)Cc2c(Cl)cccc2Cl)CC[N@@H+]1C ZINC000298127218 655372604 /nfs/dbraw/zinc/37/26/04/655372604.db2.gz XBHSKRUZWUXVOH-QWHCGFSZSA-N 1 0 386.323 2.893 20 0 GFADRO Cc1cc(S(=O)(=O)NC[C@@H](C)N2CCc3sccc3C2)cnc1Cl ZINC000303704206 655378255 /nfs/dbraw/zinc/37/82/55/655378255.db2.gz SDSRZBMNAKDXFT-GFCCVEGCSA-N 1 0 385.942 2.830 20 0 GFADRO C[N@@H+]1CCC[C@@]2(CCN(CN3Cc4cccc(Br)c4C3=O)C2)C1 ZINC000840087366 661130631 /nfs/dbraw/zinc/13/06/31/661130631.db2.gz RKNXWRSPTXZRAL-GOSISDBHSA-N 1 0 378.314 2.780 20 0 GFADRO Cc1nc(Cl)ccc1S(=O)(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000311128276 655379181 /nfs/dbraw/zinc/37/91/81/655379181.db2.gz QFORHZJBPCTCPJ-MRXNPFEDSA-N 1 0 379.913 2.938 20 0 GFADRO CS(=O)(=O)c1ccc([C@@H](O)C[NH2+]CCc2cccc(Br)c2)cc1 ZINC000313733814 655380150 /nfs/dbraw/zinc/38/01/50/655380150.db2.gz FVJLFEMEJFXTRL-KRWDZBQOSA-N 1 0 398.322 2.718 20 0 GFADRO CC(C)[N@@H+](C)C[C@@H](C)Nc1cnn(CC(F)(F)F)c(=O)c1Br ZINC000320210548 655382021 /nfs/dbraw/zinc/38/20/21/655382021.db2.gz RTDSZDGXSNPSLW-SECBINFHSA-N 1 0 385.228 2.709 20 0 GFADRO CC[C@H]1C[N@H+](C)CCN1CN1CC[C@@H](c2cccc(Br)c2)C1=O ZINC000840090482 661131430 /nfs/dbraw/zinc/13/14/30/661131430.db2.gz GIBKLYBVIDSGRF-IRXDYDNUSA-N 1 0 380.330 2.749 20 0 GFADRO O=C(c1[nH]nc(C2CC2)c1Br)N1CCC(C[NH+]2CCCC2)CC1 ZINC000329130691 655387227 /nfs/dbraw/zinc/38/72/27/655387227.db2.gz XEMXTBOYHWJCOC-UHFFFAOYSA-N 1 0 381.318 2.998 20 0 GFADRO O=C([C@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000333782409 655388088 /nfs/dbraw/zinc/38/80/88/655388088.db2.gz DXBNYZJYQVFPFI-KPZWWZAWSA-N 1 0 382.291 2.701 20 0 GFADRO O=C(c1cnn(-c2cccc(Br)c2)c1)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000333816117 655388101 /nfs/dbraw/zinc/38/81/01/655388101.db2.gz KDVRSRORRXPZOI-QGZVFWFLSA-N 1 0 375.270 2.603 20 0 GFADRO O=C1N[C@]2(CCSC2)C(=O)N1C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000349162402 655388467 /nfs/dbraw/zinc/38/84/67/655388467.db2.gz IVDCNLANGZNCIG-SFHVURJKSA-N 1 0 379.913 2.732 20 0 GFADRO CC[NH+]1CCC(N2C(=O)[C@H](c3cccc(Br)c3)N(C)C2=O)CC1 ZINC000349294603 655388905 /nfs/dbraw/zinc/38/89/05/655388905.db2.gz UBDXRUCQWJIZSD-HNNXBMFYSA-N 1 0 380.286 2.869 20 0 GFADRO CC[C@H](C)[N@H+](C)CCN1C(=O)N[C@@H](c2ccc(OC)c(Br)c2)C1=O ZINC000349409154 655390237 /nfs/dbraw/zinc/39/02/37/655390237.db2.gz XSWOURPOCLGTHT-NHYWBVRUSA-N 1 0 398.301 2.781 20 0 GFADRO O=C(NCCOc1cccc(Br)c1)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000363206083 655391597 /nfs/dbraw/zinc/39/15/97/655391597.db2.gz BIQFTGWQEGMQSR-LSDHHAIUSA-N 1 0 382.302 2.754 20 0 GFADRO CC[NH+](CC)Cc1cccc(CNC(=O)c2cc(Br)nn2C)c1 ZINC000192080603 655402430 /nfs/dbraw/zinc/40/24/30/655402430.db2.gz VJPPHQKVUQUWIM-UHFFFAOYSA-N 1 0 379.302 2.954 20 0 GFADRO CC(C)[C@@H]1C[N@H+](C)CCN1Cn1c(=O)oc2cc(F)c(Br)cc21 ZINC000192160595 655403096 /nfs/dbraw/zinc/40/30/96/655403096.db2.gz RMPWZXKYCLQYRD-AWEZNQCLSA-N 1 0 386.265 2.726 20 0 GFADRO O=c1oc2cc(F)c(Br)cc2n1CN1CC[C@H](C[NH+]2CCCC2)C1 ZINC000192160640 655403100 /nfs/dbraw/zinc/40/31/00/655403100.db2.gz RGYSQKKFMFSKBD-GFCCVEGCSA-N 1 0 398.276 2.871 20 0 GFADRO [NH3+]C[C@H](NC(=O)N[C@H](CO)c1cccc(Br)c1)C1CCCCC1 ZINC000418355475 655405838 /nfs/dbraw/zinc/40/58/38/655405838.db2.gz FQTANEKQNVRHIO-JKSUJKDBSA-N 1 0 384.318 2.689 20 0 GFADRO O=C(c1ccc(I)cc1Cl)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000424029952 655407906 /nfs/dbraw/zinc/40/79/06/655407906.db2.gz QDJMVEIXQXCARI-CQSZACIVSA-N 1 0 390.652 2.913 20 0 GFADRO CC[N@H+](CC(C)C)CN1C(=O)C(=O)N(c2ccc(Br)cc2)C1=O ZINC000193397942 655410005 /nfs/dbraw/zinc/41/00/05/655410005.db2.gz OOKGOOYSRNNUQS-UHFFFAOYSA-N 1 0 382.258 2.680 20 0 GFADRO O[C@H](COc1ccc(Br)cc1)C[NH+]1CCC(c2cn[nH]c2)CC1 ZINC000507224112 655416972 /nfs/dbraw/zinc/41/69/72/655416972.db2.gz NKGBQXLETRZLDO-INIZCTEOSA-N 1 0 380.286 2.792 20 0 GFADRO Cc1ncc(C[NH2+]CCNS(=O)(=O)c2cccc(Cl)c2Cl)s1 ZINC000512894563 655418062 /nfs/dbraw/zinc/41/80/62/655418062.db2.gz KVALUVKUBKFHFO-UHFFFAOYSA-N 1 0 380.322 2.826 20 0 GFADRO C[C@@H](N[C@H]1CC[NH2+]C12CCC2)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000530214768 655420480 /nfs/dbraw/zinc/42/04/80/655420480.db2.gz CQVKAJJOZGVFJF-OTYXRUKQSA-N 1 0 378.325 2.576 20 0 GFADRO NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)CSC(F)(F)F)cc2)C1 ZINC000195524780 655421005 /nfs/dbraw/zinc/42/10/05/655421005.db2.gz MQLUXTRKTUFVIA-GFCCVEGCSA-N 1 0 375.416 2.575 20 0 GFADRO C[N@H+](Cc1ccccc1)C1CN(C(=O)c2cc[nH]c(=O)c2Br)C1 ZINC000553506708 655422436 /nfs/dbraw/zinc/42/24/36/655422436.db2.gz GYXLABDHFIPTLH-UHFFFAOYSA-N 1 0 376.254 2.506 20 0 GFADRO O=C(CC[NH2+][C@H]1C[C@@H]2CCCCN2C1=O)Nc1cccc(Br)c1 ZINC000566063940 655424530 /nfs/dbraw/zinc/42/45/30/655424530.db2.gz RUJYAEKAIBBYJY-GJZGRUSLSA-N 1 0 380.286 2.521 20 0 GFADRO [NH3+]CCCCCC(=O)N1CCC(C(=O)Nc2ccc(Br)cn2)CC1 ZINC000237954777 655426848 /nfs/dbraw/zinc/42/68/48/655426848.db2.gz KEVDBEYFVWMGJD-UHFFFAOYSA-N 1 0 397.317 2.540 20 0 GFADRO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N[C@H](C)C[N@H+](C)C(C)C ZINC000574846947 655431989 /nfs/dbraw/zinc/43/19/89/655431989.db2.gz MJMFXWQNEUBCOK-KGLIPLIRSA-N 1 0 392.949 2.761 20 0 GFADRO CN(C)C(=O)CC[NH2+]C1(Cc2ccc(F)cc2Br)CCOCC1 ZINC000574859865 655432214 /nfs/dbraw/zinc/43/22/14/655432214.db2.gz CCXIRFVRUPGJQS-UHFFFAOYSA-N 1 0 387.293 2.748 20 0 GFADRO CC(C)c1[nH]nc(C(=O)Nc2cnc3c(c2)C[C@@H]([NH3+])CC3)c1Br ZINC000574877385 655432672 /nfs/dbraw/zinc/43/26/72/655432672.db2.gz IPGZUHOOSPVDCW-JTQLQIEISA-N 1 0 378.274 2.759 20 0 GFADRO C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)c1ccc(I)c(F)c1 ZINC000575116123 655435957 /nfs/dbraw/zinc/43/59/57/655435957.db2.gz KDHKUXIFRUAPBJ-JRKPZEMJSA-N 1 0 376.213 2.547 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)c2nnc(-c3cc(Br)c[nH]3)n2C)[C@@H](C)C1 ZINC000575789624 655437081 /nfs/dbraw/zinc/43/70/81/655437081.db2.gz YHYDEBJTSJRXIB-SMDDNHRTSA-N 1 0 381.322 2.739 20 0 GFADRO O=C1c2ccccc2C(=O)N1C[C@@H](O)C[NH2+][C@H]1CCc2sc(Cl)cc21 ZINC000575862508 655438588 /nfs/dbraw/zinc/43/85/88/655438588.db2.gz AFZIGJQNMJZCIZ-HZMBPMFUSA-N 1 0 376.865 2.636 20 0 GFADRO Cc1cc(C(=O)NC[C@@H]2C[NH2+]CCCO2)nn1-c1ccc(Cl)cc1Cl ZINC000575860200 655438592 /nfs/dbraw/zinc/43/85/92/655438592.db2.gz XCUKMBRCYXPMJT-ZDUSSCGKSA-N 1 0 383.279 2.596 20 0 GFADRO O=C(Nc1ccc(I)cc1F)N[C@@H]1C[NH2+]CCC1(F)F ZINC000576173211 655444973 /nfs/dbraw/zinc/44/49/73/655444973.db2.gz ITWPRUAWFPYNEP-SNVBAGLBSA-N 1 0 399.154 2.549 20 0 GFADRO CC(C)(CNC(=O)C[C@@H]1COCC[NH2+]1)Sc1ccc(Br)cc1 ZINC000262507150 655446104 /nfs/dbraw/zinc/44/61/04/655446104.db2.gz JFGDKGPSBONATC-CYBMUJFWSA-N 1 0 387.343 2.815 20 0 GFADRO O=C(C[C@@H]1COCC[NH2+]1)Nc1cc(-c2cc(Br)ccc2Cl)[nH]n1 ZINC000262605267 655446323 /nfs/dbraw/zinc/44/63/23/655446323.db2.gz YEFNMILICZSRBY-SNVBAGLBSA-N 1 0 399.676 2.810 20 0 GFADRO CC(C)C[C@@H](C[NH3+])NC(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1 ZINC000576576916 655449269 /nfs/dbraw/zinc/44/92/69/655449269.db2.gz NZSXDUQQFHHBHS-HNNXBMFYSA-N 1 0 386.945 2.916 20 0 GFADRO C[C@H]([NH2+]C[C@@H](O)COc1cccc(Br)c1)C(=O)N1CCCC[C@@H]1C ZINC000576577439 655449319 /nfs/dbraw/zinc/44/93/19/655449319.db2.gz VKMOYDLNDYZBHV-OFQRWUPVSA-N 1 0 399.329 2.568 20 0 GFADRO [NH3+][C@@H](CC(F)F)C(=O)NCc1cc(Br)ccc1Br ZINC000576582062 655449437 /nfs/dbraw/zinc/44/94/37/655449437.db2.gz QIGLSIKNCTXDIC-VIFPVBQESA-N 1 0 386.034 2.810 20 0 GFADRO CC[NH+](CC)CCS(=O)(=O)N(C)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000576743003 655452065 /nfs/dbraw/zinc/45/20/65/655452065.db2.gz CNOBBSRNJNFNFJ-HOTGVXAUSA-N 1 0 395.352 2.555 20 0 GFADRO Cc1ccc(NC(=O)C(=O)N2CCC3(CC[NH2+]CC3)CC2)cc1Br ZINC000576844988 655452896 /nfs/dbraw/zinc/45/28/96/655452896.db2.gz BCAWSNQZWRDFHN-UHFFFAOYSA-N 1 0 394.313 2.688 20 0 GFADRO COC[C@]1(CNC(=O)CSCc2cc(-c3cccs3)on2)CCC[NH2+]1 ZINC000576863188 655453338 /nfs/dbraw/zinc/45/33/38/655453338.db2.gz HRGFVKLHPQSKHT-QGZVFWFLSA-N 1 0 381.523 2.521 20 0 GFADRO CCC[C@@H](C)C(=O)NCC[NH2+]CCC(=O)Nc1ccc(Br)cc1 ZINC000576864389 655453363 /nfs/dbraw/zinc/45/33/63/655453363.db2.gz SNJWUZJRIAKPOU-CYBMUJFWSA-N 1 0 384.318 2.920 20 0 GFADRO COc1cc(Br)c(NC(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1OC ZINC000576925078 655454746 /nfs/dbraw/zinc/45/47/46/655454746.db2.gz INQRSEPMBZFZDH-GRYCIOLGSA-N 1 0 398.301 2.976 20 0 GFADRO CC(C)(C)[N@@H+]1C[C@@H](C(=O)NCCCOCC(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000576925743 655454864 /nfs/dbraw/zinc/45/48/64/655454864.db2.gz HXXCASIREGSBQS-GHMZBOCLSA-N 1 0 378.357 2.980 20 0 GFADRO CS(=O)(=O)N1CC[C@H]([NH2+][C@H]2CCCc3nc(-c4ccccc4)sc32)C1 ZINC000576950211 655455126 /nfs/dbraw/zinc/45/51/26/655455126.db2.gz WWUUSOKXKUCZJF-GJZGRUSLSA-N 1 0 377.535 2.811 20 0 GFADRO Cn1nc(Br)c2c1ncnc2N1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000263972194 655455208 /nfs/dbraw/zinc/45/52/08/655455208.db2.gz VMSLSPNXVQQWAO-CYBMUJFWSA-N 1 0 387.285 2.619 20 0 GFADRO Cc1ncncc1[C@H](C)[NH2+]CCNS(=O)(=O)c1cccc(Cl)c1Cl ZINC000577078106 655457263 /nfs/dbraw/zinc/45/72/63/655457263.db2.gz YAIKHRLEAAAOIQ-JTQLQIEISA-N 1 0 389.308 2.721 20 0 GFADRO COC(=O)CSCCC(=O)Nc1ccc(C[NH+]2CCSCC2)cc1C ZINC000264170489 655458206 /nfs/dbraw/zinc/45/82/06/655458206.db2.gz VKDILCDFJDHWJR-UHFFFAOYSA-N 1 0 382.551 2.779 20 0 GFADRO Cc1ccncc1CCC[NH2+]CCNS(=O)(=O)c1ccc(F)cc1Cl ZINC000577423473 655459212 /nfs/dbraw/zinc/45/92/12/655459212.db2.gz JBTMJFNDOZJCDN-UHFFFAOYSA-N 1 0 385.892 2.683 20 0 GFADRO Nc1nc(-n2cccn2)cc(N2CCC[C@@H]2c2ccc(Br)cn2)[nH+]1 ZINC000577469280 655460276 /nfs/dbraw/zinc/46/02/76/655460276.db2.gz RTGKLZOJUZVIGT-CYBMUJFWSA-N 1 0 386.257 2.744 20 0 GFADRO COc1cc(Br)ccc1CCCNC(=O)[C@H]([NH3+])CCSC ZINC000577701772 655465039 /nfs/dbraw/zinc/46/50/39/655465039.db2.gz LIJSNVZFFRKXTK-CYBMUJFWSA-N 1 0 375.332 2.587 20 0 GFADRO O=C(NCc1sccc1Br)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000577914669 655469329 /nfs/dbraw/zinc/46/93/29/655469329.db2.gz MJSWEYHWBBFAPS-KRWDZBQOSA-N 1 0 395.322 2.764 20 0 GFADRO [NH3+]Cc1cc(C(=O)NC2(c3cccc(Br)c3)CCOCC2)co1 ZINC000577953478 655470258 /nfs/dbraw/zinc/47/02/58/655470258.db2.gz XKFIDOLSQFUWAS-UHFFFAOYSA-N 1 0 379.254 2.937 20 0 GFADRO C[C@@H]1CC[C@@H]([NH2+]CC(=O)Nc2cccc(Br)c2)[C@@H](n2cncn2)C1 ZINC000577965116 655470436 /nfs/dbraw/zinc/47/04/36/655470436.db2.gz PQPMTMDHDPXEEF-WQVCFCJDSA-N 1 0 392.301 2.999 20 0 GFADRO O[C@H](C[NH2+][C@@H]1CCO[C@]2(CCOC2)C1)COc1ccc(Cl)cc1Cl ZINC000578187115 655473751 /nfs/dbraw/zinc/47/37/51/655473751.db2.gz PJXRQZFCRWWOOD-CKEIUWERSA-N 1 0 376.280 2.661 20 0 GFADRO CN1CC[N@H+](C)C[C@H]1CNCc1csc(COc2ccc(Cl)cc2)n1 ZINC000264947732 655474479 /nfs/dbraw/zinc/47/44/79/655474479.db2.gz JLCVSRILXNZFMS-MRXNPFEDSA-N 1 0 380.945 2.711 20 0 GFADRO CNc1cc(I)ccc1C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000578246404 655474972 /nfs/dbraw/zinc/47/49/72/655474972.db2.gz PWSWPCKJZCUEQC-DZGCQCFKSA-N 1 0 399.276 2.690 20 0 GFADRO COCC[NH2+]C1CCN(CC(=O)N(C)Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000578329503 655476833 /nfs/dbraw/zinc/47/68/33/655476833.db2.gz GNDTUDHVZPABIR-UHFFFAOYSA-N 1 0 388.339 2.652 20 0 GFADRO CN(C(=O)Nc1ccc(-c2ccc(Br)s2)nn1)[C@H](C[NH3+])C1CC1 ZINC000578423345 655478519 /nfs/dbraw/zinc/47/85/19/655478519.db2.gz SXUMHLZIANETBU-LLVKDONJSA-N 1 0 396.314 3.169 20 0 GFADRO CCSCC[C@H](C)NC(=O)C(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000578461806 655479530 /nfs/dbraw/zinc/47/95/30/655479530.db2.gz VJSYPKCGCKPHOT-XJKSGUPXSA-N 1 0 385.961 2.707 20 0 GFADRO C[NH+](C)[C@@]1(CNC(=O)C(=O)Nc2cccc(C(F)F)c2Cl)CCSC1 ZINC000578470047 655479656 /nfs/dbraw/zinc/47/96/56/655479656.db2.gz MFJYNYIWWDJEHV-MRXNPFEDSA-N 1 0 391.871 2.770 20 0 GFADRO C[C@H](CC[NH+](C)C)NC(=O)CCC[S@@](=O)c1ccc(Br)cc1 ZINC000265336204 655481559 /nfs/dbraw/zinc/48/15/59/655481559.db2.gz HECRLUKBBBBNNV-MCMMXHMISA-N 1 0 389.359 2.793 20 0 GFADRO CCc1cc(CCCN(C)CC(=O)Nc2ccc(Br)cn2)on1 ZINC000578557338 655481708 /nfs/dbraw/zinc/48/17/08/655481708.db2.gz QSDANGZPMHGHID-UHFFFAOYSA-N 1 0 381.274 2.898 20 0 GFADRO CC(=O)N[C@H](CC(=O)N1CCCC[C@@H]1CC[NH3+])c1ccc(Br)cc1 ZINC000578628772 655483395 /nfs/dbraw/zinc/48/33/95/655483395.db2.gz SDMBPNMFMKWJJI-IAGOWNOFSA-N 1 0 396.329 2.746 20 0 GFADRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]Cc3cc4c(c(Br)c3)OCO4)[C@@H]2C1 ZINC000578672591 655484439 /nfs/dbraw/zinc/48/44/39/655484439.db2.gz MXHPKMSPAWUDRD-LZWOXQAQSA-N 1 0 395.297 2.914 20 0 GFADRO C[C@@H](CNS(=O)(=O)c1cc(Cl)ccc1Br)[NH+]1CCCC1 ZINC000578713923 655485268 /nfs/dbraw/zinc/48/52/68/655485268.db2.gz AHUVRXFWHOBCLZ-JTQLQIEISA-N 1 0 381.723 2.865 20 0 GFADRO CC(C)[C@H](C(=O)N1CCN(Cc2ccc(Br)s2)CC1)[C@H](C)[NH3+] ZINC000578864141 655488158 /nfs/dbraw/zinc/48/81/58/655488158.db2.gz ZOTNNZGKPMQVGP-WFASDCNBSA-N 1 0 388.375 2.774 20 0 GFADRO CCC[N@@H+]1CC[C@H](CNC(=O)NCc2nc3c(cccc3Br)[nH]2)C1 ZINC000578958072 655490069 /nfs/dbraw/zinc/49/00/69/655490069.db2.gz OWJIFJJXGMKUIS-GFCCVEGCSA-N 1 0 394.317 2.857 20 0 GFADRO CC[NH+](CC)CCN(C(=O)c1cc(OC)no1)c1ccc(Br)cn1 ZINC000578956570 655490107 /nfs/dbraw/zinc/49/01/07/655490107.db2.gz KNJXTXMJLUYZIO-UHFFFAOYSA-N 1 0 397.273 2.829 20 0 GFADRO O=C(NCCc1ccc(F)c(Br)c1)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000578969101 655490323 /nfs/dbraw/zinc/49/03/23/655490323.db2.gz DPXZGPUQBSVXMY-MELADBBJSA-N 1 0 384.293 2.818 20 0 GFADRO O=S(=O)(NCCC[NH+]1CCCC1)c1cccc(Br)c1Cl ZINC000579012644 655491602 /nfs/dbraw/zinc/49/16/02/655491602.db2.gz AZDAHWYNBHDJDX-UHFFFAOYSA-N 1 0 381.723 2.867 20 0 GFADRO C[NH+](C)CC1CCN(c2c(Br)cccc2S(C)(=O)=O)CC1 ZINC000579037630 655492352 /nfs/dbraw/zinc/49/23/52/655492352.db2.gz OBRFPKNNAKMCTR-UHFFFAOYSA-N 1 0 375.332 2.631 20 0 GFADRO CN(C)S(=O)(=O)N1CCC[C@@H]([NH2+]Cc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000579055884 655492694 /nfs/dbraw/zinc/49/26/94/655492694.db2.gz NEVAQSFMLQTVOC-GFCCVEGCSA-N 1 0 399.866 2.719 20 0 GFADRO O=C(c1cc(=O)[nH]c2c(Br)cccc12)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000579074526 655493042 /nfs/dbraw/zinc/49/30/42/655493042.db2.gz BMHPQDVAFLMEPQ-IINYFYTJSA-N 1 0 376.254 2.527 20 0 GFADRO OC[C@H](C[NH2+]C[C@H](O)Cc1ccccc1)Cc1ccc(F)c(Br)c1 ZINC000579108467 655494013 /nfs/dbraw/zinc/49/40/13/655494013.db2.gz CVIVZJJAHIFCOO-DLBZAZTESA-N 1 0 396.300 2.932 20 0 GFADRO CCOCC[C@H](O)C[NH2+][C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O ZINC000579113186 655494105 /nfs/dbraw/zinc/49/41/05/655494105.db2.gz SMSNHSSVRAFQNB-DZGCQCFKSA-N 1 0 375.296 2.866 20 0 GFADRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)N(C)Cc1c(Cl)cccc1Cl ZINC000579405728 655498961 /nfs/dbraw/zinc/49/89/61/655498961.db2.gz LTJNXGFUMJBSFS-MEDUHNTESA-N 1 0 384.307 2.551 20 0 GFADRO C[C@H](NC(=O)[C@@H]1CCCCC[NH2+]1)c1cc2c(cc1Br)OCCO2 ZINC000579712885 655502886 /nfs/dbraw/zinc/50/28/86/655502886.db2.gz JBXNDFYDQMCJSV-FZMZJTMJSA-N 1 0 383.286 2.930 20 0 GFADRO CCC[NH+]1CCC(NC(=O)N(C)C[C@@H](O)c2cccc(Br)c2)CC1 ZINC000840310548 661153417 /nfs/dbraw/zinc/15/34/17/661153417.db2.gz SQZWXGDSEOLQII-QGZVFWFLSA-N 1 0 398.345 2.998 20 0 GFADRO C[C@]1(NC(=O)Nc2ccc(I)cc2Cl)CC[NH2+]C1 ZINC000596121982 655513946 /nfs/dbraw/zinc/51/39/46/655513946.db2.gz QXARVKYFTNJCIJ-LBPRGKRZSA-N 1 0 379.629 2.818 20 0 GFADRO C[NH+]1CCC2(CCN(C(=O)Cc3ccccc3I)C2)CC1 ZINC000597666976 655521364 /nfs/dbraw/zinc/52/13/64/655521364.db2.gz MERPANGWBDDPGE-UHFFFAOYSA-N 1 0 398.288 2.778 20 0 GFADRO Cn1c(Cl)c(Cl)cc1C(=O)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000702626887 655521693 /nfs/dbraw/zinc/52/16/93/655521693.db2.gz LQTZNNXARDNJPX-GOSISDBHSA-N 1 0 382.291 2.699 20 0 GFADRO O=S(=O)(N[C@]12CCC[C@H]1[NH2+]CC2)c1c(Cl)cccc1Br ZINC000711583186 655522456 /nfs/dbraw/zinc/52/24/56/655522456.db2.gz KKFCFPSEZQMZFI-YPMHNXCESA-N 1 0 379.707 2.665 20 0 GFADRO Cn1cc(C[NH2+][C@H]2CCC[C@@H]2CNC(=O)OC(C)(C)C)c(Br)n1 ZINC000712464195 655522672 /nfs/dbraw/zinc/52/26/72/655522672.db2.gz WDLMIVUGBWIZSL-YPMHNXCESA-N 1 0 387.322 2.966 20 0 GFADRO C[C@H]1[C@@H](NC(=O)c2cc(Cl)ccc2I)CC[N@@H+]1C ZINC000719384000 655524443 /nfs/dbraw/zinc/52/44/43/655524443.db2.gz AQUOSCUJQRNFND-UFBFGSQYSA-N 1 0 378.641 2.767 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)c2ccccc2I)C[C@@H]1C(F)(F)F ZINC000720818552 655524819 /nfs/dbraw/zinc/52/48/19/655524819.db2.gz VZZACZGBKRGQTM-SCZZXKLOSA-N 1 0 398.166 2.500 20 0 GFADRO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)c1cccc(F)c1I ZINC000721713124 655525139 /nfs/dbraw/zinc/52/51/39/655525139.db2.gz MLYYGOIMAZBEMG-CHWSQXEVSA-N 1 0 388.224 2.739 20 0 GFADRO NC(=O)C1CC[NH+](CCc2ccc(NC(=O)[C@@H]3CC3(Cl)Cl)cc2)CC1 ZINC000725730794 655525987 /nfs/dbraw/zinc/52/59/87/655525987.db2.gz LFCYNWIRAFTYNX-HNNXBMFYSA-N 1 0 384.307 2.559 20 0 GFADRO COc1ccc2nc(Cl)ccc2c1S(=O)(=O)NCC[NH+]1CCCCC1 ZINC000725825275 655527199 /nfs/dbraw/zinc/52/71/99/655527199.db2.gz VTSICOHQMMILFB-UHFFFAOYSA-N 1 0 383.901 2.661 20 0 GFADRO C[N@H+](CCN1CCN(C(=O)c2scnc2Cl)CC1)Cc1ccccc1 ZINC000729386342 655564495 /nfs/dbraw/zinc/56/44/95/655564495.db2.gz NJZAKPVPRGODHY-UHFFFAOYSA-N 1 0 378.929 2.686 20 0 GFADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)N1CCc2c(ccc(Cl)c2Cl)C1 ZINC000729504403 655565567 /nfs/dbraw/zinc/56/55/67/655565567.db2.gz IDTRJABMFWHLCS-KBPBESRZSA-N 1 0 384.307 2.924 20 0 GFADRO C[N@H+](CCc1ccc(Br)cc1)Cc1ccc(OCC(N)=O)cc1 ZINC000730261585 655572959 /nfs/dbraw/zinc/57/29/59/655572959.db2.gz NTOOFLWULXIZBZ-UHFFFAOYSA-N 1 0 377.282 2.988 20 0 GFADRO O=C(COC(=O)c1ccc(Cl)c(Cl)c1O)NC1CC[NH+](C2CC2)CC1 ZINC000730359830 655574650 /nfs/dbraw/zinc/57/46/50/655574650.db2.gz ORLGFZLZCACWBF-UHFFFAOYSA-N 1 0 387.263 2.599 20 0 GFADRO O=C(CN1CCSC1=O)NC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC000731595121 655584875 /nfs/dbraw/zinc/58/48/75/655584875.db2.gz WXUZONTWKZDAJT-INIZCTEOSA-N 1 0 381.929 2.980 20 0 GFADRO O=C(CN1CCSC1=O)N[C@@H]1CCCN(Cc2ccc(F)cc2Cl)C1 ZINC000732137695 655591982 /nfs/dbraw/zinc/59/19/82/655591982.db2.gz IIAVPQMUUGKVPZ-CQSZACIVSA-N 1 0 385.892 2.729 20 0 GFADRO CC(C)[C@H](C[NH+](C)C)NC(=O)[C@H]1CCN(c2ccccc2Br)C1=O ZINC000733166014 655608567 /nfs/dbraw/zinc/60/85/67/655608567.db2.gz NNISQCDTDVTGFP-HIFRSBDPSA-N 1 0 396.329 2.504 20 0 GFADRO CC(C)[C@@H](C[NH+](C)C)NC(=O)Cc1csc(NC(=O)c2cccs2)n1 ZINC000733163979 655608573 /nfs/dbraw/zinc/60/85/73/655608573.db2.gz JCQUZAKILWHCFE-CYBMUJFWSA-N 1 0 380.539 2.702 20 0 GFADRO COC[C@@H](C)NC(=S)N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000733903947 655623208 /nfs/dbraw/zinc/62/32/08/655623208.db2.gz IGYCFVWHVYWIMH-DOMZBBRYSA-N 1 0 375.460 2.779 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)N1CCO[C@H](c2ccccc2Br)C1 ZINC000734286133 655628738 /nfs/dbraw/zinc/62/87/38/655628738.db2.gz ZWNDNAQDSDWALW-DYVFJYSZSA-N 1 0 394.313 2.769 20 0 GFADRO C[C@@H](NC(=O)/C=C\c1ccc(I)o1)C(C)(C)C[NH+](C)C ZINC000742185651 655711565 /nfs/dbraw/zinc/71/15/65/655711565.db2.gz RVQBZWFQRTVYAV-GXMKHXEJSA-N 1 0 390.265 2.990 20 0 GFADRO CN(CC[C@H]1CCCC[N@@H+]1C)S(=O)(=O)c1c(Cl)nc2sccn21 ZINC000742321128 655715682 /nfs/dbraw/zinc/71/56/82/655715682.db2.gz KIEWALXONGZNAP-LLVKDONJSA-N 1 0 376.935 2.544 20 0 GFADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)COc2ccc(C=O)cc2Br)C1 ZINC000742880205 655723165 /nfs/dbraw/zinc/72/31/65/655723165.db2.gz ABXUBPRSJNORRG-HNNXBMFYSA-N 1 0 397.313 2.831 20 0 GFADRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(Cn2cc(I)cn2)C1 ZINC000743375624 655728317 /nfs/dbraw/zinc/72/83/17/655728317.db2.gz JAGRYPMETIBKOO-MRXNPFEDSA-N 1 0 396.276 2.652 20 0 GFADRO CCN(C)C[C@@H]1CC[N@H+](Cn2ccc(=O)c3cccc(Br)c32)C1 ZINC000743401246 655728700 /nfs/dbraw/zinc/72/87/00/655728700.db2.gz ZTHGFMLLBBOEJD-AWEZNQCLSA-N 1 0 378.314 2.995 20 0 GFADRO COC(=O)[C@@](C)(NC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C)c1cccc(Br)c1 ZINC000746240665 655759432 /nfs/dbraw/zinc/75/94/32/655759432.db2.gz SEDUSOCJVGAAGK-JCGVRSQUSA-N 1 0 397.313 2.826 20 0 GFADRO COc1ccc(CCNC(=S)NCC(C)(C)C[NH+](C)C)c(Cl)c1OC ZINC000840753450 661183558 /nfs/dbraw/zinc/18/35/58/661183558.db2.gz UVVSSCHRQVKJGW-UHFFFAOYSA-N 1 0 387.977 2.952 20 0 GFADRO CC[NH+](CC)CC1CCN(C(=O)c2ccc(Cl)c(S(C)(=O)=O)c2)CC1 ZINC000746520637 655763383 /nfs/dbraw/zinc/76/33/83/655763383.db2.gz VLOKPICPSLGKKQ-UHFFFAOYSA-N 1 0 386.945 2.938 20 0 GFADRO CCC[N@H+](CC)CCNC(=O)/C=C/c1ccc(I)o1 ZINC000746639955 655765281 /nfs/dbraw/zinc/76/52/81/655765281.db2.gz RCLCVDVVETUDQO-SOFGYWHQSA-N 1 0 376.238 2.746 20 0 GFADRO CN(Cc1nc(C(F)(F)F)cs1)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000747555942 655780113 /nfs/dbraw/zinc/78/01/13/655780113.db2.gz KRMAFYQMFUYBRB-UHFFFAOYSA-N 1 0 376.408 2.584 20 0 GFADRO S=C(NCCCC[NH+]1CCOCC1)NCc1ccc(Br)cc1 ZINC000747651590 655781432 /nfs/dbraw/zinc/78/14/32/655781432.db2.gz PMBSGNWVSBNCEZ-UHFFFAOYSA-N 1 0 386.359 2.526 20 0 GFADRO C[NH+]1CCC(NC(=S)N2CCO[C@@H](c3cccc(Br)c3)C2)CC1 ZINC000748595967 655792576 /nfs/dbraw/zinc/79/25/76/655792576.db2.gz LKRQFAUJHNPLFX-MRXNPFEDSA-N 1 0 398.370 2.791 20 0 GFADRO C[NH+](C)[C@@]1(CNC(=S)NCc2ccc(OC(F)(F)F)cc2)CCSC1 ZINC000748602565 655792749 /nfs/dbraw/zinc/79/27/49/655792749.db2.gz PSPHNBNUHNCGKP-OAHLLOKOSA-N 1 0 393.500 2.987 20 0 GFADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@H](C)[C@@H](O)c1ccc(F)cc1 ZINC000840722991 661178666 /nfs/dbraw/zinc/17/86/66/661178666.db2.gz MKQOYOWXXCACGH-PSTGCABASA-N 1 0 383.261 2.850 20 0 GFADRO CCc1c(Cl)nc(CS(C)(=O)=O)nc1NCC[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000749096180 655800005 /nfs/dbraw/zinc/80/00/05/655800005.db2.gz GEUWIBKHHFWANT-STQMWFEESA-N 1 0 388.965 2.912 20 0 GFADRO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]CCc1cccc(C)c1 ZINC000749263253 655802341 /nfs/dbraw/zinc/80/23/41/655802341.db2.gz GCJUAOSMYBSQJR-INIZCTEOSA-N 1 0 381.929 2.845 20 0 GFADRO O[C@H](CN1CCc2[nH]c3ccc(Br)cc3c2C1)C[NH+]1CCCC1 ZINC000749283886 655802531 /nfs/dbraw/zinc/80/25/31/655802531.db2.gz ITSAKBOZOBEMLJ-AWEZNQCLSA-N 1 0 378.314 2.745 20 0 GFADRO C[NH+](C)[C@H]1CCC[C@H](NS(=O)(=O)Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000749300414 655802759 /nfs/dbraw/zinc/80/27/59/655802759.db2.gz IXGGLQBGBKKELX-KBPBESRZSA-N 1 0 380.432 2.877 20 0 GFADRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)S(=O)(=O)c1cc2ccc(Cl)nc2cc1F ZINC000750166778 655812179 /nfs/dbraw/zinc/81/21/79/655812179.db2.gz ZNJQYMPVFBSCJO-XHDPSFHLSA-N 1 0 385.892 2.988 20 0 GFADRO O=C(CCn1cc(Br)cn1)NC1CCC([NH+]2CCCCC2)CC1 ZINC000750855584 655818065 /nfs/dbraw/zinc/81/80/65/655818065.db2.gz KUMGEYRKKCIMHB-UHFFFAOYSA-N 1 0 383.334 2.949 20 0 GFADRO Cc1cc(Br)ncc1NC(=O)NC[C@@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000754462600 655868409 /nfs/dbraw/zinc/86/84/09/655868409.db2.gz LQCLTRRTJKVTGN-HNNXBMFYSA-N 1 0 398.349 2.546 20 0 GFADRO CC[NH+]1CCN(c2ccc(NS(=O)(=O)c3cncc(Cl)c3)cc2)CC1 ZINC000754695423 655871681 /nfs/dbraw/zinc/87/16/81/655871681.db2.gz UEILGXWEKAVQHJ-UHFFFAOYSA-N 1 0 380.901 2.678 20 0 GFADRO Clc1cccc(-n2cc(CNC[C@@H]3C[N@@H+]4CCC[C@H]4CO3)nn2)c1Cl ZINC000754828983 655874945 /nfs/dbraw/zinc/87/49/45/655874945.db2.gz JNIYORVDPMQXFH-UONOGXRCSA-N 1 0 382.295 2.527 20 0 GFADRO C[C@@H]([NH2+]CCS(=O)(=O)C1CC1)c1ccc(I)cc1 ZINC000840883739 661198417 /nfs/dbraw/zinc/19/84/17/661198417.db2.gz WJIDKLQTJDQSKZ-SNVBAGLBSA-N 1 0 379.263 2.519 20 0 GFADRO CS(=O)(=O)c1ccc(C[NH2+]C[C@@H](O)c2ccc(OC(F)(F)F)cc2)s1 ZINC000840887487 661198696 /nfs/dbraw/zinc/19/86/96/661198696.db2.gz XWJCLKYSUSTTQX-CYBMUJFWSA-N 1 0 395.424 2.873 20 0 GFADRO COC(=O)[C@]1(NC(=O)[C@H]2CC2(Cl)Cl)CCC[N@H+](Cc2ccccc2)C1 ZINC000755608881 655886288 /nfs/dbraw/zinc/88/62/88/655886288.db2.gz ADUKHMRUVNHDSI-PBHICJAKSA-N 1 0 385.291 2.504 20 0 GFADRO CC[N@H+](CCNC(=O)N[C@@H]1CC[C@H]2SCCS[C@@H]12)CCC(F)(F)F ZINC000755780244 655888900 /nfs/dbraw/zinc/88/89/00/655888900.db2.gz PSDNHLZOOQBALB-UPJWGTAASA-N 1 0 385.521 2.940 20 0 GFADRO CC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CC(Br)=NN2c2ccc(C)cc2)C1 ZINC000756099642 655894861 /nfs/dbraw/zinc/89/48/61/655894861.db2.gz QMMRZLVAQYDINF-GDBMZVCRSA-N 1 0 393.329 2.740 20 0 GFADRO COC(=O)N1CCC([NH2+]C[C@@](O)(c2ccc(Cl)cc2)C(F)(F)F)CC1 ZINC000756899972 655906672 /nfs/dbraw/zinc/90/66/72/655906672.db2.gz PGJNTCOWIISMDR-OAHLLOKOSA-N 1 0 380.794 2.910 20 0 GFADRO C[N@@H+]1CCC[C@@H](NC(=O)Nc2cnc(Br)c(Br)c2)C1 ZINC000758274945 655928252 /nfs/dbraw/zinc/92/82/52/655928252.db2.gz XXGPQRACKLKEIP-MRVPVSSYSA-N 1 0 392.095 2.822 20 0 GFADRO C[NH+](C)[C@]1(CNC(=O)NCCSCc2ccnc(Cl)c2)CCSC1 ZINC000758557294 655935581 /nfs/dbraw/zinc/93/55/81/655935581.db2.gz GGXOFXXFAXCCLM-INIZCTEOSA-N 1 0 388.990 2.705 20 0 GFADRO C[NH+]1CCC(NC(=S)N2CCc3c(F)cc(Br)cc3C2)CC1 ZINC000759118858 655948207 /nfs/dbraw/zinc/94/82/07/655948207.db2.gz WFKNNQLOLFTFMQ-UHFFFAOYSA-N 1 0 386.334 2.915 20 0 GFADRO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)c1cnn(-c2ccccc2)c1Br ZINC000760178291 655971241 /nfs/dbraw/zinc/97/12/41/655971241.db2.gz UKYJISIVIYZTQW-CYBMUJFWSA-N 1 0 389.297 2.849 20 0 GFADRO CC[N@@H+]1CC[C@@H](CNC(=O)c2cnn(-c3ccccc3)c2Br)C1 ZINC000760180655 655971387 /nfs/dbraw/zinc/97/13/87/655971387.db2.gz HKTJZJLCXJLJEX-ZDUSSCGKSA-N 1 0 377.286 2.706 20 0 GFADRO CN1CC[C@@H](NC(=S)NCC2CC[NH+](C)CC2)[C@H]1c1ccc(Cl)cc1 ZINC000760500087 655982720 /nfs/dbraw/zinc/98/27/20/655982720.db2.gz QGBGZULXFZFGRG-QZTJIDSGSA-N 1 0 380.989 2.891 20 0 GFADRO S=C(NC[C@H]1CCCCO1)NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000761506229 656017194 /nfs/dbraw/zinc/01/71/94/656017194.db2.gz WGCWMKBOADFZPU-QZTJIDSGSA-N 1 0 379.595 2.637 20 0 GFADRO C[C@@H](NC(=O)C1([NH+](C)C)CCC1)c1cc2c(cc1Br)OCCO2 ZINC000763025183 656068746 /nfs/dbraw/zinc/06/87/46/656068746.db2.gz QUTYXWZFJKYBSO-LLVKDONJSA-N 1 0 383.286 2.882 20 0 GFADRO C[C@@H]1CCC[N@@H+]1CCNC(=O)C(=O)Nc1ccc(Cl)cc1Br ZINC000764269204 656107274 /nfs/dbraw/zinc/10/72/74/656107274.db2.gz ONQYZVFSSBHSSQ-SNVBAGLBSA-N 1 0 388.693 2.642 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)c2ccnc(Cl)c2I)CC[N@@H+]1C ZINC000764367592 656109268 /nfs/dbraw/zinc/10/92/68/656109268.db2.gz QMIMHEGKPDNAPA-RKDXNWHRSA-N 1 0 393.656 2.552 20 0 GFADRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000764996664 656125177 /nfs/dbraw/zinc/12/51/77/656125177.db2.gz MTJUPUXPFLFSBY-CVEARBPZSA-N 1 0 375.296 2.596 20 0 GFADRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000764996665 656125430 /nfs/dbraw/zinc/12/54/30/656125430.db2.gz MTJUPUXPFLFSBY-HOTGVXAUSA-N 1 0 375.296 2.596 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)Nc1cc2c(cc1Br)OCCO2 ZINC000841014604 661227217 /nfs/dbraw/zinc/22/72/17/661227217.db2.gz GYSFNBJJRGZMGU-ZWNOBZJWSA-N 1 0 384.274 2.954 20 0 GFADRO C[C@H]([NH2+][C@H]1CCN(CC(F)(F)F)C1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000765506254 656144140 /nfs/dbraw/zinc/14/41/40/656144140.db2.gz ZJOKXCJSOFSHHW-JQWIXIFHSA-N 1 0 386.386 2.970 20 0 GFADRO Cc1n[nH]c(C(=O)N[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)c1Br ZINC000765806619 656152614 /nfs/dbraw/zinc/15/26/14/656152614.db2.gz DAXPCZOWAANTIA-FZMZJTMJSA-N 1 0 377.286 2.731 20 0 GFADRO [NH3+]CCN(CCO)C(=O)Nc1ccccc1SC[C@H]1CC1(Cl)Cl ZINC000841060824 661230315 /nfs/dbraw/zinc/23/03/15/661230315.db2.gz QPGPNODNUOYSCM-LLVKDONJSA-N 1 0 378.325 2.757 20 0 GFADRO CS[C@@H]1CC[C@@H]([NH2+][C@@H](C)c2cccc(S(=O)(=O)N3CCOCC3)c2)C1 ZINC000766227551 656165732 /nfs/dbraw/zinc/16/57/32/656165732.db2.gz YFRQPFDETHXHQC-USXIJHARSA-N 1 0 384.567 2.642 20 0 GFADRO Cn1cc([C@H](O)C[C@H]2CCC[N@@H+]2C[C@H](O)c2ccccc2Br)cn1 ZINC000766961493 656189600 /nfs/dbraw/zinc/18/96/00/656189600.db2.gz QMCPGHOZFINRHR-OLMNPRSZSA-N 1 0 394.313 2.804 20 0 GFADRO CC[NH2+]Cc1ccccc1NC(=O)C(=O)N1CC[C@]2(C)[C@H](C1)C2(Cl)Cl ZINC000841124984 661234980 /nfs/dbraw/zinc/23/49/80/661234980.db2.gz BGPCLXCWCUDFBN-WMLDXEAASA-N 1 0 384.307 2.777 20 0 GFADRO CS[C@@H]1CN(S(=O)(=O)c2ccc(OC3CCCC3)cc2)C[C@H]1[NH+](C)C ZINC000767313919 656199504 /nfs/dbraw/zinc/19/95/04/656199504.db2.gz BHOATEQBGPWXIC-QZTJIDSGSA-N 1 0 384.567 2.674 20 0 GFADRO O=S(=O)(N1CCC(C[NH2+]C[C@@H]2C[C@H]2c2ccccc2)CC1)C(F)(F)F ZINC000767381406 656201108 /nfs/dbraw/zinc/20/11/08/656201108.db2.gz FEEGLRVMCMVFBD-HOTGVXAUSA-N 1 0 376.444 2.941 20 0 GFADRO CN1CCN(C(=O)Nc2ccc3cc(Br)ccc3c2)[C@@H](C[NH3+])C1 ZINC000841148097 661238497 /nfs/dbraw/zinc/23/84/97/661238497.db2.gz SXGIHJYPELEBCT-INIZCTEOSA-N 1 0 377.286 2.709 20 0 GFADRO COCCS(=O)(=O)CCC[N@@H+]1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000767886491 656225400 /nfs/dbraw/zinc/22/54/00/656225400.db2.gz YJMXOWSSLLRHHH-OAHLLOKOSA-N 1 0 379.444 2.946 20 0 GFADRO CC(C)(C)OC(=O)NCC[N@H+](CCO)Cc1ccc(F)c(Br)c1 ZINC000767922302 656227926 /nfs/dbraw/zinc/22/79/26/656227926.db2.gz JCSPADFVNIJOHD-UHFFFAOYSA-N 1 0 391.281 2.907 20 0 GFADRO C[NH2+]CC1CCN(C(=O)C(=O)Nc2ccccc2SC(F)(F)F)CC1 ZINC000841171588 661241164 /nfs/dbraw/zinc/24/11/64/661241164.db2.gz SOMXKENWAGUKDH-UHFFFAOYSA-N 1 0 375.416 2.695 20 0 GFADRO CN(C(=O)C(=O)Nc1cccc(Cl)c1Br)C1CCC([NH3+])CC1 ZINC000841188412 661242844 /nfs/dbraw/zinc/24/28/44/661242844.db2.gz DASSIEQGWJMUQY-UHFFFAOYSA-N 1 0 388.693 2.769 20 0 GFADRO Cc1c(Br)ccc(NC(=O)C(=O)N(C)C2CCC([NH3+])CC2)c1F ZINC000841189385 661242915 /nfs/dbraw/zinc/24/29/15/661242915.db2.gz LNCNIHXZIFXSDM-UHFFFAOYSA-N 1 0 386.265 2.563 20 0 GFADRO Ic1ccccc1C[N@@H+]1CCC[C@H]1CN1CCOCC1 ZINC000768936829 656261537 /nfs/dbraw/zinc/26/15/37/656261537.db2.gz HXVBJOMGNADCMO-HNNXBMFYSA-N 1 0 386.277 2.588 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)Nc2ccc3cc(Br)ccc3c2)C1 ZINC000841208832 661244445 /nfs/dbraw/zinc/24/44/45/661244445.db2.gz UCCOYKZGAMLGGN-BXUZGUMPSA-N 1 0 390.281 2.737 20 0 GFADRO COCCOC[C@H]1CC[N@H+](Cc2ccccc2I)C1 ZINC000769507758 656278796 /nfs/dbraw/zinc/27/87/96/656278796.db2.gz OBRWMZVFHUCNQR-ZDUSSCGKSA-N 1 0 375.250 2.776 20 0 GFADRO C[C@@H](CCN1CC[NH+](C)CC1)NC(=S)Nc1ccc(Br)cc1 ZINC000769765467 656290806 /nfs/dbraw/zinc/29/08/06/656290806.db2.gz HNADJMMQTQVLJY-ZDUSSCGKSA-N 1 0 385.375 2.762 20 0 GFADRO C[NH2+]C[C@@H]1CCN(C(=O)Nc2cc(C(F)(F)F)cc(Br)n2)C1 ZINC000841241231 661247913 /nfs/dbraw/zinc/24/79/13/661247913.db2.gz HOBGOCKCWAGPLH-QMMMGPOBSA-N 1 0 381.196 2.936 20 0 GFADRO C[C@H](CCC[NH3+])NC(=O)C(=O)Nc1ccc2cc(Br)ccc2c1 ZINC000841250769 661248945 /nfs/dbraw/zinc/24/89/45/661248945.db2.gz LGAMBAIUTOTYSR-LLVKDONJSA-N 1 0 378.270 2.784 20 0 GFADRO CC[N@H+](CCC1CCN(S(=O)(=O)c2ncn(C)c2Cl)CC1)CC1CC1 ZINC000770721238 656328443 /nfs/dbraw/zinc/32/84/43/656328443.db2.gz WAHBZBHJVVSWPX-UHFFFAOYSA-N 1 0 388.965 2.596 20 0 GFADRO CC[N@H+](CCC1CCN(S(=O)(=O)c2cn(C)c(Cl)n2)CC1)CC1CC1 ZINC000770721194 656328460 /nfs/dbraw/zinc/32/84/60/656328460.db2.gz UZJAFNJIUXIEQY-UHFFFAOYSA-N 1 0 388.965 2.596 20 0 GFADRO O=C(Nc1ccc2cc(Br)ccc2c1)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000841296058 661251724 /nfs/dbraw/zinc/25/17/24/661251724.db2.gz VIWJWUZJXZIROR-INIZCTEOSA-N 1 0 390.281 2.799 20 0 GFADRO O=C(NC[C@H](O)c1ccc(Cl)cc1Cl)Nc1cnc2c(c1)C[NH2+]CC2 ZINC000841321377 661252055 /nfs/dbraw/zinc/25/20/55/661252055.db2.gz HNLJARZBCPRPOH-INIZCTEOSA-N 1 0 381.263 2.889 20 0 GFADRO C[NH+](C)[C@]1(CNC(=O)C[C@@H](O)c2cc(Cl)cc(Cl)c2)CCSC1 ZINC000772745763 656387920 /nfs/dbraw/zinc/38/79/20/656387920.db2.gz LHPPVHWSLUWAAQ-ZBFHGGJFSA-N 1 0 377.337 2.970 20 0 GFADRO C[C@H]([NH2+][C@H]1CCC[C@@H](S(C)(=O)=O)C1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000773014776 656397099 /nfs/dbraw/zinc/39/70/99/656397099.db2.gz LCAQVJYAIXUCIF-CORIIIEPSA-N 1 0 395.493 2.689 20 0 GFADRO CC[NH+](CC)[C@H]1CCN(Cn2c(=O)oc3cc(Br)c(F)cc32)C1 ZINC000773305894 656410094 /nfs/dbraw/zinc/41/00/94/656410094.db2.gz CVASXRWGQHRSNI-NSHDSACASA-N 1 0 386.265 2.870 20 0 GFADRO C[N@@H+]1CCC[C@H]2CN(Cn3c(=O)oc4cc(Br)c(F)cc43)CC[C@@H]21 ZINC000773315091 656411215 /nfs/dbraw/zinc/41/12/15/656411215.db2.gz XTCGJSQHBIKNPN-FZMZJTMJSA-N 1 0 398.276 2.870 20 0 GFADRO Cc1cc(Br)ncc1NC(=O)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000774253375 656509653 /nfs/dbraw/zinc/50/96/53/656509653.db2.gz TYOZIHDMPGBQHU-CYBMUJFWSA-N 1 0 399.333 2.574 20 0 GFADRO CC(C)[C@@H]([NH2+]CCS(=O)(=O)N1CCOCC1)c1ccc(Cl)c(Cl)c1 ZINC000774439305 656528172 /nfs/dbraw/zinc/52/81/72/656528172.db2.gz SXYBTUIOYDNZEG-MRXNPFEDSA-N 1 0 395.352 2.942 20 0 GFADRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)C(=O)NCCc2ccc(Cl)cc2Cl)C1 ZINC000774725963 656549807 /nfs/dbraw/zinc/54/98/07/656549807.db2.gz SNIYALCBCWMZQD-CABCVRRESA-N 1 0 386.323 2.641 20 0 GFADRO CC(C)(C)OC(=O)[C@H]1CCCN1CCOC(=O)C[C@H]1CSCCS1 ZINC000774763959 656553844 /nfs/dbraw/zinc/55/38/44/656553844.db2.gz RNENYEBHQHIQPC-UONOGXRCSA-N 1 0 375.556 2.574 20 0 GFADRO CCNC(=O)N1CC[C@@H]([NH2+]Cc2nc3ccc(Br)cc3s2)C1 ZINC000775001643 656584366 /nfs/dbraw/zinc/58/43/66/656584366.db2.gz BSIWXPHREMVDOP-LLVKDONJSA-N 1 0 383.315 2.952 20 0 GFADRO O=S(=O)(NCC[NH2+][C@@H]1CC[C@@H]2SCCS[C@H]12)c1cccc(Cl)c1 ZINC000775381816 656634623 /nfs/dbraw/zinc/63/46/23/656634623.db2.gz NAVYTLNORVPMRS-QLFBSQMISA-N 1 0 392.999 2.588 20 0 GFADRO c1ccc(C[C@H](CN2CCOCC2)[NH2+][C@@H]2CC[C@H]3SCCS[C@H]23)cc1 ZINC000775387435 656635531 /nfs/dbraw/zinc/63/55/31/656635531.db2.gz MNYYKPCAYPRHQA-UAFMIMERSA-N 1 0 378.607 2.899 20 0 GFADRO C[C@@H]1CCOCC[N@@H+]1C[C@H](O)COc1ccc(Cl)cc1Br ZINC000775567568 656649919 /nfs/dbraw/zinc/64/99/19/656649919.db2.gz JKFBZJCPSPJRQR-YPMHNXCESA-N 1 0 378.694 2.953 20 0 GFADRO C[NH+](C)CCOc1ccc(/C=C\C(=O)Nc2cnc(Br)cn2)cc1 ZINC000776432147 656739814 /nfs/dbraw/zinc/73/98/14/656739814.db2.gz WQOUZVQYKAVZIH-YVMONPNESA-N 1 0 391.269 2.831 20 0 GFADRO C[NH+]1CCN(Cc2cccc(NC(=O)c3scnc3Br)c2)CC1 ZINC000777799764 656835805 /nfs/dbraw/zinc/83/58/05/656835805.db2.gz JDTAREKZYADTOR-UHFFFAOYSA-N 1 0 395.326 2.905 20 0 GFADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2scnc2Br)[C@@H](C)C1 ZINC000777863256 656839827 /nfs/dbraw/zinc/83/98/27/656839827.db2.gz XTLQZCKOSPKXBN-RYUDHWBXSA-N 1 0 390.347 2.772 20 0 GFADRO CC(C)N(CCC[NH2+][C@@H](C)C1CCS(=O)(=O)CC1)C(=O)OC(C)(C)C ZINC000779022155 656897302 /nfs/dbraw/zinc/89/73/02/656897302.db2.gz NHICKHVJLQXAPS-HNNXBMFYSA-N 1 0 376.563 2.825 20 0 GFADRO CC(C)C[N@@H+]1CCO[C@H](COC(=O)c2cc3sc(N(C)C)nc3s2)C1 ZINC000780374560 657001608 /nfs/dbraw/zinc/00/16/08/657001608.db2.gz PTGILQHKCFISSL-LBPRGKRZSA-N 1 0 383.539 2.937 20 0 GFADRO C[C@@H]([NH2+]CCOc1ccc(S(=O)(=O)C(F)(F)F)cc1)[C@H]1CCCOC1 ZINC000780729318 657026472 /nfs/dbraw/zinc/02/64/72/657026472.db2.gz DBDZQZRAZXFDJK-OLZOCXBDSA-N 1 0 381.416 2.764 20 0 GFADRO C[NH+](C)CCCOC1CCN(S(=O)(=O)c2cccc(C(F)F)c2)CC1 ZINC000780807574 657030358 /nfs/dbraw/zinc/03/03/58/657030358.db2.gz VLFBVSHJSDSNHE-UHFFFAOYSA-N 1 0 376.469 2.746 20 0 GFADRO O=c1c(Br)nn(C[N@H+]2CCC[C@H](OC(F)F)C2)c2ccccc12 ZINC000781152568 657044732 /nfs/dbraw/zinc/04/47/32/657044732.db2.gz PONSVVKKIZTTRO-JTQLQIEISA-N 1 0 388.212 2.820 20 0 GFADRO C[C@H](NC(=O)Nc1cc2c(cc1Br)OCCO2)C1=CC[N@H+](C)CC1 ZINC000781394148 657054176 /nfs/dbraw/zinc/05/41/76/657054176.db2.gz BTSCYPNCBHXIJT-NSHDSACASA-N 1 0 396.285 2.992 20 0 GFADRO O[C@H]1CC[N@H+](Cc2ccccc2CNC(=S)Nc2ccc(Cl)nc2)C1 ZINC000781546049 657062695 /nfs/dbraw/zinc/06/26/95/657062695.db2.gz YPWPHXGUMFFPIR-INIZCTEOSA-N 1 0 376.913 2.788 20 0 GFADRO O=C(NCc1ccccc1C[N@H+]1CCC[C@H]1CO)NC[C@@H]1CC1(Cl)Cl ZINC000781921557 657089541 /nfs/dbraw/zinc/08/95/41/657089541.db2.gz UAIXYBLNCBKOOL-HOTGVXAUSA-N 1 0 386.323 2.636 20 0 GFADRO COc1ccc(C(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)nc1Br ZINC000782003217 657095240 /nfs/dbraw/zinc/09/52/40/657095240.db2.gz UNVUAKKFFWMZRC-ZDUSSCGKSA-N 1 0 382.302 2.657 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)CCC[N@@H+]1CCOC[C@H]1CCO ZINC000782052330 657097488 /nfs/dbraw/zinc/09/74/88/657097488.db2.gz SZVXWTHYWAOXRI-MRXNPFEDSA-N 1 0 399.329 2.868 20 0 GFADRO NC(=O)[C@H]1CCCC[C@H]1[NH2+]Cc1nnc(-c2ccc(Br)s2)o1 ZINC000782536437 657155572 /nfs/dbraw/zinc/15/55/72/657155572.db2.gz ZXYDNEZJYHWFSW-DTWKUNHWSA-N 1 0 385.287 2.694 20 0 GFADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1Cn1ncc2c1cccc2Br ZINC000782898771 657191706 /nfs/dbraw/zinc/19/17/06/657191706.db2.gz OHIWAFNUTDDNQX-AWEZNQCLSA-N 1 0 393.329 2.941 20 0 GFADRO O[C@H](C[NH2+]C[C@@H](O)c1ccccc1)COc1cc(F)cc(Br)c1 ZINC000783962113 657277977 /nfs/dbraw/zinc/27/79/77/657277977.db2.gz RQMMKDXVCHJLHI-NVXWUHKLSA-N 1 0 384.245 2.651 20 0 GFADRO Cn1cncc1[C@H]1CC(=O)N(C[NH2+]C(C)(C)c2ccc(Br)cc2)C1 ZINC000783975164 657278926 /nfs/dbraw/zinc/27/89/26/657278926.db2.gz KAIIICPAAPXZLN-ZDUSSCGKSA-N 1 0 391.313 2.981 20 0 GFADRO C[C@@H](c1ccncc1)N1CCC([NH2+]Cc2cc(Br)nn2C)CC1 ZINC000785494319 657369361 /nfs/dbraw/zinc/36/93/61/657369361.db2.gz AFRBAIOYRKPIHT-ZDUSSCGKSA-N 1 0 378.318 2.893 20 0 GFADRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)c2nc(Br)ccc2C)C1 ZINC000786631497 657447273 /nfs/dbraw/zinc/44/72/73/657447273.db2.gz IFKUGQVIMDOVLR-AWEZNQCLSA-N 1 0 384.318 2.725 20 0 GFADRO C[C@H](C[C@H](C)[NH2+]Cc1ccc(S(C)(=O)=O)s1)NC(=O)OC(C)(C)C ZINC000786961407 657496347 /nfs/dbraw/zinc/49/63/47/657496347.db2.gz YSZHMJSXUUUSTM-NWDGAFQWSA-N 1 0 376.544 2.933 20 0 GFADRO COc1ccc(C[N@@H+]2CCCN(Cc3cc(Br)nn3C)CC2)cc1 ZINC000787051399 657510837 /nfs/dbraw/zinc/51/08/37/657510837.db2.gz XKJVPKDMGIBZRV-UHFFFAOYSA-N 1 0 393.329 2.899 20 0 GFADRO Cn1nc(Br)cc1C[N@H+](C)C1CCN(C(=O)c2ccccc2)CC1 ZINC000787139282 657521509 /nfs/dbraw/zinc/52/15/09/657521509.db2.gz QJCUZZRQIKMCMI-UHFFFAOYSA-N 1 0 391.313 2.919 20 0 GFADRO COCCS(=O)(=O)CCC[NH2+][C@H](C)c1ccc(Br)cc1OC ZINC000787344770 657546116 /nfs/dbraw/zinc/54/61/16/657546116.db2.gz KJNOQXVVRASTTJ-GFCCVEGCSA-N 1 0 394.331 2.560 20 0 GFADRO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@@](C)(O)c1ccc(F)cc1 ZINC000787762545 657595042 /nfs/dbraw/zinc/59/50/42/657595042.db2.gz LNXGDDZVCOZCCF-YVEFUNNKSA-N 1 0 383.261 2.636 20 0 GFADRO C[C@H](Sc1nc2ccccc2s1)C(=O)N1CCC[C@](O)(C[NH+](C)C)C1 ZINC000788205182 657670330 /nfs/dbraw/zinc/67/03/30/657670330.db2.gz MVDIVSZIFNRZBQ-UGSOOPFHSA-N 1 0 379.551 2.692 20 0 GFADRO C[NH+]1CCC(NC(=S)N2CCC(COc3ccc(Cl)nc3)CC2)CC1 ZINC000788332618 657697283 /nfs/dbraw/zinc/69/72/83/657697283.db2.gz SROQZUDJWBERJJ-UHFFFAOYSA-N 1 0 382.961 2.795 20 0 GFADRO O=S(=O)(N1CCC(C[NH2+][C@H]2CCc3ccc(Cl)nc32)CC1)C(F)(F)F ZINC000788591508 657748297 /nfs/dbraw/zinc/74/82/97/657748297.db2.gz HYPZVODIDKJSRO-LBPRGKRZSA-N 1 0 397.850 2.874 20 0 GFADRO CC[C@H](C)[N@H+](C)CCNS(=O)(=O)c1sc(C(=O)OC)c(Cl)c1C ZINC000788617410 657753362 /nfs/dbraw/zinc/75/33/62/657753362.db2.gz GTCXBHZNSSODTB-VIFPVBQESA-N 1 0 382.935 2.505 20 0 GFADRO Cc1ccc(S(=O)(=O)N(C)c2ccc(OCC[NH+](C)C)cc2)c(Cl)n1 ZINC000788618476 657753525 /nfs/dbraw/zinc/75/35/25/657753525.db2.gz GSMASMKOZSHUBR-UHFFFAOYSA-N 1 0 383.901 2.809 20 0 GFADRO C[NH+](C)Cc1ccc(S(=O)(=O)NC[C@H](O)c2cc(F)cc(Cl)c2)cc1 ZINC000788677509 657770981 /nfs/dbraw/zinc/77/09/81/657770981.db2.gz HBHNRENEKAIJJF-KRWDZBQOSA-N 1 0 386.876 2.553 20 0 GFADRO CCS(=O)(=O)CCCCC[N@@H+]1CC[C@H](NC(=O)OC(C)(C)C)C[C@H]1C ZINC000789350629 657840457 /nfs/dbraw/zinc/84/04/57/657840457.db2.gz IVMNBWPMEGVGPN-CVEARBPZSA-N 1 0 376.563 2.969 20 0 GFADRO COc1nc(Br)ccc1NC(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000789389635 657847655 /nfs/dbraw/zinc/84/76/55/657847655.db2.gz UYCKNZPLBVGASD-UHFFFAOYSA-N 1 0 383.290 2.945 20 0 GFADRO COc1ccc(Br)c(CC(=O)OC[C@H]2C[N@@H+](C(C)C)CCO2)c1 ZINC000789773055 657889746 /nfs/dbraw/zinc/88/97/46/657889746.db2.gz NZKZJMRUTBTJBY-OAHLLOKOSA-N 1 0 386.286 2.653 20 0 GFADRO C[NH+](C)CCNC(=S)Nc1cc(Br)cc(C(=O)N2CCCC2)c1 ZINC000790618331 658002888 /nfs/dbraw/zinc/00/28/88/658002888.db2.gz QCRSESRXBLPMOW-UHFFFAOYSA-N 1 0 399.358 2.533 20 0 GFADRO CCN1CC[NH+](CCCCNC(=O)N2CC[C@]3(C)[C@H](C2)C3(Cl)Cl)CC1 ZINC000790670185 658010842 /nfs/dbraw/zinc/01/08/42/658010842.db2.gz AQHXOZNVHMBDAZ-DOTOQJQBSA-N 1 0 391.387 2.629 20 0 GFADRO CSCCONC(=O)N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000793017724 658347398 /nfs/dbraw/zinc/34/73/98/658347398.db2.gz SPDBNFXGMOCOTQ-AWEZNQCLSA-N 1 0 377.432 2.874 20 0 GFADRO COCC[N@@H+]1CCC[C@@H](NC(=O)Cc2sc(SC(F)F)nc2C)C1 ZINC000793443346 658397011 /nfs/dbraw/zinc/39/70/11/658397011.db2.gz HCAJGAUSVVOQBQ-LLVKDONJSA-N 1 0 379.498 2.536 20 0 GFADRO C[C@H](CNC(=O)C(=O)N(C)Cc1c(Cl)cccc1Cl)[NH+]1CCCCC1 ZINC000793705690 658428636 /nfs/dbraw/zinc/42/86/36/658428636.db2.gz BBCRIXUSTLQXEA-CYBMUJFWSA-N 1 0 386.323 2.942 20 0 GFADRO O[C@H]1CCCC[C@H]1[NH+]1CCC(NC(=S)NCCCCC(F)(F)F)CC1 ZINC000794985433 658645710 /nfs/dbraw/zinc/64/57/10/658645710.db2.gz SSWIPYLRYGYIDI-CABCVRRESA-N 1 0 381.508 2.951 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CNC(=S)Nc1cccc(C(=O)NC)c1Br ZINC000795164509 658697409 /nfs/dbraw/zinc/69/74/09/658697409.db2.gz CVFGOAWSXXPAGG-LLVKDONJSA-N 1 0 399.358 2.579 20 0 GFADRO COc1cc(S(=O)(=O)N[C@@H](C)[C@@H](c2ccccc2)[NH+](C)C)cnc1Cl ZINC000795165085 658698473 /nfs/dbraw/zinc/69/84/73/658698473.db2.gz WRSUWMFLISBSFZ-LRDDRELGSA-N 1 0 383.901 2.713 20 0 GFADRO C[NH+](C)Cc1ccc(NS(=O)(=O)c2ccc3c(c2)C(=O)OC3)cc1Cl ZINC000795672075 658840328 /nfs/dbraw/zinc/84/03/28/658840328.db2.gz UVQLFNFNDSIWIA-UHFFFAOYSA-N 1 0 380.853 2.873 20 0 GFADRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1Cn1c2cc(Br)ccc2oc1=O ZINC000795702326 658842939 /nfs/dbraw/zinc/84/29/39/658842939.db2.gz DWYIXNFOQDWTFK-TZMCWYRMSA-N 1 0 380.286 2.873 20 0 GFADRO Cc1cc(Br)cc(C)c1N1CCC[C@H]([N@@H+]2C[C@H]3C[C@@]3(CO)C2)C1=O ZINC000796034810 658882450 /nfs/dbraw/zinc/88/24/50/658882450.db2.gz RTAYFAHPRHJNJE-ALKREAHSSA-N 1 0 393.325 2.876 20 0 GFADRO OCC[C@@H](Cc1ccccc1)[NH2+]Cc1ncc(I)s1 ZINC000796377040 658914864 /nfs/dbraw/zinc/91/48/64/658914864.db2.gz OYEXUGAGSBHPMJ-LBPRGKRZSA-N 1 0 388.274 2.831 20 0 GFADRO COC(=O)N1CCC(C[NH2+]Cc2ccccc2I)CC1 ZINC000796506038 658920814 /nfs/dbraw/zinc/92/08/14/658920814.db2.gz LCMUWTNQFJDYGF-UHFFFAOYSA-N 1 0 388.249 2.859 20 0 GFADRO CCc1nnc(NC(=O)[C@@H](C)[C@H](C)[NH2+]Cc2c(CC)nn(C)c2Cl)s1 ZINC000796528676 658922436 /nfs/dbraw/zinc/92/24/36/658922436.db2.gz JAPWRCYSGWWSJT-UWVGGRQHSA-N 1 0 384.937 2.803 20 0 GFADRO CC(C)(C)OC(=O)N1CCN([C@@H]2CC[N@H+](C[C@H]3CC3(Cl)Cl)C2)CC1 ZINC000796617377 658927909 /nfs/dbraw/zinc/92/79/09/658927909.db2.gz OUSFJRLCRJYZRL-ZIAGYGMSSA-N 1 0 378.344 2.807 20 0 GFADRO C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1[NH2+]CCn1cc(Br)cn1 ZINC000797101861 658979484 /nfs/dbraw/zinc/97/94/84/658979484.db2.gz WLHIQEIBFKODJN-TZMCWYRMSA-N 1 0 387.322 2.881 20 0 GFADRO O=C(NCC[N@H+]1CC=CCC1)Nc1cc2c(cc1Br)OCCO2 ZINC000797609341 659038507 /nfs/dbraw/zinc/03/85/07/659038507.db2.gz ZLWFFVKHWCNPSH-UHFFFAOYSA-N 1 0 382.258 2.604 20 0 GFADRO O=C(c1cc(C(F)(F)F)cc(Cl)n1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000798173882 659079085 /nfs/dbraw/zinc/07/90/85/659079085.db2.gz JGZMWLISZWWIKP-LLVKDONJSA-N 1 0 377.794 2.548 20 0 GFADRO COCCNc1nn(CN2CCC[C@@H]2[C@@H]2C[C@@H](C)CC[C@@H]2O)c(=S)s1 ZINC000799157186 659168781 /nfs/dbraw/zinc/16/87/81/659168781.db2.gz QCIWBFFUMGCMCV-XQLPTFJDSA-N 1 0 386.587 2.951 20 0 GFADRO C[C@@H](CNC(=O)NC[C@H](O)c1cccc(Br)c1)[NH+]1CCC(C)CC1 ZINC000799940749 659247582 /nfs/dbraw/zinc/24/75/82/659247582.db2.gz BKHOCYHCCDFNRD-YOEHRIQHSA-N 1 0 398.345 2.902 20 0 GFADRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@H](O)c1cccc(Br)c1 ZINC000799938728 659247664 /nfs/dbraw/zinc/24/76/64/659247664.db2.gz FZDOTDSOSBWQBB-KEYYUXOJSA-N 1 0 398.345 2.902 20 0 GFADRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)NC[C@H](O)c2cccc(Br)c2)C1 ZINC000799948797 659248757 /nfs/dbraw/zinc/24/87/57/659248757.db2.gz XHWBRSFOHPPFKI-YOEHRIQHSA-N 1 0 398.345 2.760 20 0 GFADRO CC[C@](O)(C(=O)N1C[C@H](SC)[C@@H]([NH+]2CCCC2)C1)c1cccc(Cl)c1 ZINC000800533933 659315173 /nfs/dbraw/zinc/31/51/73/659315173.db2.gz FYJCWPPFKXAJSD-JENIJYKNSA-N 1 0 382.957 2.976 20 0 GFADRO Cc1nn(C)c(Br)c1C(=O)Nc1ccc(OCC[NH+](C)C)cc1 ZINC000800847948 659339810 /nfs/dbraw/zinc/33/98/10/659339810.db2.gz FVDYAVKRDZNRRS-UHFFFAOYSA-N 1 0 381.274 2.684 20 0 GFADRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)NC[C@@H](O)c1cccc(Br)c1 ZINC000801766968 659425434 /nfs/dbraw/zinc/42/54/34/659425434.db2.gz ZAVYGUMLVNLGRV-CVEARBPZSA-N 1 0 398.345 2.902 20 0 GFADRO CCC[N@H+](C)[C@@H](CNC(=O)[C@@H]1CSCN1C(C)=O)c1ccc(Cl)cc1 ZINC000804128886 659622627 /nfs/dbraw/zinc/62/26/27/659622627.db2.gz TWCYLEHZTWTWGB-IRXDYDNUSA-N 1 0 383.945 2.761 20 0 GFADRO O=C(N[C@H]1CCc2cncn2C1)[C@H]1CC(c2ccc(Cl)cc2Cl)=NO1 ZINC000804333876 659634851 /nfs/dbraw/zinc/63/48/51/659634851.db2.gz RRGFMUYNWUNUAY-MEDUHNTESA-N 1 0 379.247 2.814 20 0 GFADRO O=S(=O)(N[C@@H](C[NH+]1CCCC1)c1ccccc1)c1cnc(Cl)c(F)c1 ZINC000804945636 659700076 /nfs/dbraw/zinc/70/00/76/659700076.db2.gz LWBLDTYPSBWXSH-INIZCTEOSA-N 1 0 383.876 2.990 20 0 GFADRO Cc1nc(Cl)ccc1S(=O)(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1 ZINC000804959966 659703461 /nfs/dbraw/zinc/70/34/61/659703461.db2.gz LAHBSHQZCBWVBS-UHFFFAOYSA-N 1 0 385.892 2.935 20 0 GFADRO C[NH+](C)C1CC(NC(=O)c2nn(-c3ccc(F)cc3)cc2Br)C1 ZINC000808019976 659873348 /nfs/dbraw/zinc/87/33/48/659873348.db2.gz NINMSSQBFURKRI-UHFFFAOYSA-N 1 0 381.249 2.596 20 0 GFADRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]C[C@@H](O)c3ccc(Br)cc3)[C@@H]2C1 ZINC000808783970 659906245 /nfs/dbraw/zinc/90/62/45/659906245.db2.gz WDBDMLISFFBRJR-XOYOTBSWSA-N 1 0 381.314 2.719 20 0 GFADRO NS(=O)(=O)c1ccc2c(c1)[C@H]([NH2+]C[C@H](O)c1ccccc1Cl)CCC2 ZINC000810226207 659967145 /nfs/dbraw/zinc/96/71/45/659967145.db2.gz CEJFLWZAYGHZEO-MSOLQXFVSA-N 1 0 380.897 2.688 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)NCCCCn2cc(Br)cn2)C1 ZINC000810711167 659983484 /nfs/dbraw/zinc/98/34/84/659983484.db2.gz YRPMGCGTGAITEO-INIZCTEOSA-N 1 0 389.313 2.755 20 0 GFADRO Nc1nc(N2CCC[C@@H](OC(=O)c3ccc(F)c(Br)c3)C2)cc[nH+]1 ZINC000810761660 659985105 /nfs/dbraw/zinc/98/51/05/659985105.db2.gz PDRDZOHLROBYSM-LLVKDONJSA-N 1 0 395.232 2.786 20 0 GFADRO CCCC[N@H+](C)C[C@H](C)NC(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000811583618 660013011 /nfs/dbraw/zinc/01/30/11/660013011.db2.gz QCIIHGJUYKLTJN-LBPRGKRZSA-N 1 0 380.432 2.830 20 0 GFADRO C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000812342524 660025253 /nfs/dbraw/zinc/02/52/53/660025253.db2.gz LOVFIERROBRUML-RWMBFGLXSA-N 1 0 384.307 2.522 20 0 GFADRO C[N@H+](CCc1cccc(Br)c1)Cc1ccc(OCC(N)=O)cc1 ZINC000812805280 660035096 /nfs/dbraw/zinc/03/50/96/660035096.db2.gz ZUOSRCBMNYECQE-UHFFFAOYSA-N 1 0 377.282 2.988 20 0 GFADRO COCCCN(C(=O)c1nc(Br)ccc1F)C1CC[NH+](C)CC1 ZINC000813291605 660050569 /nfs/dbraw/zinc/05/05/69/660050569.db2.gz VRPFMTPSVGKFGK-UHFFFAOYSA-N 1 0 388.281 2.556 20 0 GFADRO C[C@](O)(C[N@@H+]1CCC[C@H](OCCO)C1)c1ccc(Br)cc1Cl ZINC000815048839 660107141 /nfs/dbraw/zinc/10/71/41/660107141.db2.gz QCIRAGZLPLAELY-BBRMVZONSA-N 1 0 392.721 2.783 20 0 GFADRO C[C@](O)(C[N@@H+]1CCC[C@@H](CC(N)=O)C1)c1ccc(Br)cc1Cl ZINC000815056047 660107836 /nfs/dbraw/zinc/10/78/36/660107836.db2.gz ZNGZCDAEGJXJTN-ZBEGNZNMSA-N 1 0 389.721 2.897 20 0 GFADRO CN(C)C(=O)OC1CC[NH+](C[C@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000815187201 660115884 /nfs/dbraw/zinc/11/58/84/660115884.db2.gz OARBWBIXDXIOCW-ZDUSSCGKSA-N 1 0 391.295 2.896 20 0 GFADRO CS(=O)(=O)CC1CCC([NH2+]C[C@](O)(c2ccccc2)C(F)(F)F)CC1 ZINC000815574409 660125852 /nfs/dbraw/zinc/12/58/52/660125852.db2.gz OXAZYZSPGVHHJQ-BCLQGDPASA-N 1 0 379.444 2.630 20 0 GFADRO CCN(CCC[NH2+]C1CCC(CS(C)(=O)=O)CC1)C(=O)OC(C)(C)C ZINC000815576599 660126066 /nfs/dbraw/zinc/12/60/66/660126066.db2.gz UMNSZZGPCWBWLP-UHFFFAOYSA-N 1 0 376.563 2.827 20 0 GFADRO CC(C)[N@@H+]1CCO[C@H](COC(=O)c2cc(Br)cc(N(C)C)c2)C1 ZINC000816016903 660140427 /nfs/dbraw/zinc/14/04/27/660140427.db2.gz GNEMOHKTKFHCEU-INIZCTEOSA-N 1 0 385.302 2.781 20 0 GFADRO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)c1ccnc(Cl)c1I ZINC000816767790 660168229 /nfs/dbraw/zinc/16/82/29/660168229.db2.gz GCEGJNLHLVTETN-PSASIEDQSA-N 1 0 393.656 2.504 20 0 GFADRO C[C@@H]1C[N@@H+](CCCNC(=O)c2cnc(Cl)c(Br)c2)C[C@H](C)O1 ZINC000816838861 660170312 /nfs/dbraw/zinc/17/03/12/660170312.db2.gz MMMBJBSWGHCKDG-PHIMTYICSA-N 1 0 390.709 2.727 20 0 GFADRO COc1cc(NC(=O)NC[C@@H]2CC2(Cl)Cl)ccc1OCC[NH+](C)C ZINC000841822973 661316357 /nfs/dbraw/zinc/31/63/57/661316357.db2.gz RVGOTTXIMYMJQA-NSHDSACASA-N 1 0 376.284 2.951 20 0 GFADRO COc1cc(NCc2c(Br)cnn2C)ccc1OCC[NH+](C)C ZINC000841892909 661317562 /nfs/dbraw/zinc/31/75/62/661317562.db2.gz CECISUHIWYRRDD-UHFFFAOYSA-N 1 0 383.290 2.744 20 0 GFADRO C[C@H](NC(=O)N(C)C[C@@H](O)c1ccccc1Br)[C@@H]1CCC[NH2+]C1 ZINC000841928432 661317918 /nfs/dbraw/zinc/31/79/18/661317918.db2.gz RDXZEAMUTGQBAX-WOSRLPQWSA-N 1 0 384.318 2.512 20 0 GFADRO CN(C[C@H](O)c1ccccc1Br)C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000841950424 661318121 /nfs/dbraw/zinc/31/81/21/661318121.db2.gz SYXAOHWJHYBFEG-SJORKVTESA-N 1 0 392.297 2.824 20 0 GFADRO CCCC[N@H+](C)CCN1C(=O)[C@H]2Cc3c(Br)cccc3CN2C1=O ZINC000842242538 661329920 /nfs/dbraw/zinc/32/99/20/661329920.db2.gz SDFQPIKJTJXSID-MRXNPFEDSA-N 1 0 394.313 2.870 20 0 GFADRO CC(=O)c1cc(S(=O)(=O)N2CCCC[C@@H]2[C@@H](C)[NH3+])ccc1Br ZINC000842690666 661349562 /nfs/dbraw/zinc/34/95/62/661349562.db2.gz XOBSQGJVMWPMRT-MEBBXXQBSA-N 1 0 389.315 2.542 20 0 GFADRO [NH3+]C1C[C@H]2CCC[C@@H](C1)N2S(=O)(=O)c1cccc(OC(F)(F)F)c1F ZINC000842741224 661351900 /nfs/dbraw/zinc/35/19/00/661351900.db2.gz ACUQRKIZEFGLFU-FGWVZKOKSA-N 1 0 382.379 2.757 20 0 GFADRO [NH3+]CC[C@H]1CN(S(=O)(=O)c2c(Cl)nc3sccn32)c2ccccc21 ZINC000842797605 661354982 /nfs/dbraw/zinc/35/49/82/661354982.db2.gz PNGMHKVUBFOXRI-JTQLQIEISA-N 1 0 382.898 2.691 20 0 GFADRO COc1ccc2nc(Cl)ccc2c1S(=O)(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000842842710 661356783 /nfs/dbraw/zinc/35/67/83/661356783.db2.gz ZOBCATWAYQWQOI-GFCCVEGCSA-N 1 0 383.901 2.646 20 0 GFADRO [NH3+]CCCN(CC1CCCC1)S(=O)(=O)c1c(Cl)nc2sccn21 ZINC000842860851 661357531 /nfs/dbraw/zinc/35/75/31/661357531.db2.gz JJQTXBIFAIHTPX-UHFFFAOYSA-N 1 0 376.935 2.579 20 0 GFADRO COC(=O)c1sc(S(=O)(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)c(C)c1Cl ZINC000842863860 661357714 /nfs/dbraw/zinc/35/77/14/661357714.db2.gz OUYNLUIPFAMZON-XYPYZODXSA-N 1 0 394.946 2.540 20 0 GFADRO O=S(=O)(/C=C/c1cccc(Br)c1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000842861234 661357789 /nfs/dbraw/zinc/35/77/89/661357789.db2.gz UWHWVONVWORIPO-ZWIJEDICSA-N 1 0 385.327 2.825 20 0 GFADRO C[C@H]([NH2+]C[C@H]1CS(=O)(=O)c2ccccc2O1)c1ccc(Br)nc1 ZINC000842882617 661358449 /nfs/dbraw/zinc/35/84/49/661358449.db2.gz CJIXUDBCQRAELG-AAEUAGOBSA-N 1 0 397.294 2.730 20 0 GFADRO CCC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000842894923 661359265 /nfs/dbraw/zinc/35/92/65/661359265.db2.gz VSEWCBUHGRLKRA-LSDHHAIUSA-N 1 0 384.929 2.943 20 0 GFADRO [NH3+]CCCCCCNC(=O)C(=O)Nc1ccc(Cl)cc1Br ZINC000843050601 661365260 /nfs/dbraw/zinc/36/52/60/661365260.db2.gz LTUVVKMTYUZNEF-UHFFFAOYSA-N 1 0 376.682 2.676 20 0 GFADRO C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)Nc1ccc2cc(Br)ccc2c1 ZINC000843049086 661365267 /nfs/dbraw/zinc/36/52/67/661365267.db2.gz GYMOMXNJSLLKSI-MNOVXSKESA-N 1 0 378.270 2.783 20 0 GFADRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)Nc1cnc(Br)c(Br)c1 ZINC000843042259 661365341 /nfs/dbraw/zinc/36/53/41/661365341.db2.gz QCLRTLAEMZATHS-RNFRBKRXSA-N 1 0 380.084 2.854 20 0 GFADRO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)Nc1ccc2cc(Br)ccc2c1 ZINC000843049087 661365401 /nfs/dbraw/zinc/36/54/01/661365401.db2.gz GYMOMXNJSLLKSI-QWRGUYRKSA-N 1 0 378.270 2.783 20 0 GFADRO COc1cc(OC)cc([C@H](O)C[NH2+]C[C@H](O)c2ccccc2Br)c1 ZINC000843067695 661365945 /nfs/dbraw/zinc/36/59/45/661365945.db2.gz HGBHQXAYBITJEO-MSOLQXFVSA-N 1 0 396.281 2.823 20 0 GFADRO Cc1cccc(OC[C@H](O)C[NH2+]C[C@H](O)c2ccc(F)c(Br)c2)c1 ZINC000843070406 661366213 /nfs/dbraw/zinc/36/62/13/661366213.db2.gz UHDQRWZEYOJHQO-KDOFPFPSSA-N 1 0 398.272 2.960 20 0 GFADRO C[C@](O)(C[NH2+]CC1(CO)CCOCC1)c1ccc(Br)cc1Cl ZINC000843075509 661366527 /nfs/dbraw/zinc/36/65/27/661366527.db2.gz KPNAZGCYXLSSRR-HNNXBMFYSA-N 1 0 392.721 2.689 20 0 GFADRO O[C@H](C[NH2+]C[C@H](O)c1ccccc1F)COc1ccccc1Br ZINC000843098469 661367900 /nfs/dbraw/zinc/36/79/00/661367900.db2.gz XFRBMBHTCHNASI-WBMJQRKESA-N 1 0 384.245 2.651 20 0 GFADRO OC[C@H](C[C@H](O)c1ccccc1)[NH2+]C[C@H](O)c1ccc(Br)cc1 ZINC000843104082 661368151 /nfs/dbraw/zinc/36/81/51/661368151.db2.gz DIUAIRSSHXZCIF-BZSNNMDCSA-N 1 0 380.282 2.557 20 0 GFADRO OCC[C@H](Cc1ccccc1)[NH2+]C[C@H](O)COc1ccc(Br)cc1 ZINC000843115926 661369432 /nfs/dbraw/zinc/36/94/32/661369432.db2.gz USWRZIKVBWTHHH-MSOLQXFVSA-N 1 0 394.309 2.772 20 0 GFADRO CC(C)[C@@H]([NH3+])c1noc(CCNC(=O)Nc2ccc(Br)cc2)n1 ZINC000843152217 661371117 /nfs/dbraw/zinc/37/11/17/661371117.db2.gz DGPFLPVZNVWMHW-CYBMUJFWSA-N 1 0 382.262 2.852 20 0 GFADRO Brc1ccccc1Cc1noc(-c2cn(C3CC[NH2+]CC3)nn2)n1 ZINC000843177090 661371624 /nfs/dbraw/zinc/37/16/24/661371624.db2.gz XIHMMDYLFSYSLE-UHFFFAOYSA-N 1 0 389.257 2.606 20 0 GFADRO O=S(=O)(Cc1noc([C@@]2(F)CC[NH2+]C2)n1)c1cc(Cl)ccc1Cl ZINC000843200461 661371781 /nfs/dbraw/zinc/37/17/81/661371781.db2.gz OUGOREUWDHFLFV-CYBMUJFWSA-N 1 0 380.228 2.508 20 0 GFADRO O=S(=O)(Cc1noc(CCC2CC[NH2+]CC2)n1)Cc1ccc(Cl)cc1 ZINC000843239650 661374538 /nfs/dbraw/zinc/37/45/38/661374538.db2.gz NUMHPKBYFGFDHR-UHFFFAOYSA-N 1 0 383.901 2.770 20 0 GFADRO CN(C)CC[N@H+](C)CCCN(C)Cc1cc(Br)cnc1Cl ZINC000843410510 661380284 /nfs/dbraw/zinc/38/02/84/661380284.db2.gz VNGUPZOFYXLHSX-UHFFFAOYSA-N 1 0 377.758 2.813 20 0 GFADRO CCCS(=O)(=O)Nc1cc(NC(=O)CCCCCC[NH3+])c(F)cc1F ZINC000843419912 661380885 /nfs/dbraw/zinc/38/08/85/661380885.db2.gz FOVHCWYOOPASIY-UHFFFAOYSA-N 1 0 377.457 2.964 20 0 GFADRO O=C(CO[C@H]1CCC[NH2+]C1)N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000843494310 661383273 /nfs/dbraw/zinc/38/32/73/661383273.db2.gz ASAMRDXNBPERKH-NEPJUHHUSA-N 1 0 377.432 2.637 20 0 GFADRO O=C(CO[C@@H]1CCC[NH2+]C1)N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000843494311 661383382 /nfs/dbraw/zinc/38/33/82/661383382.db2.gz ASAMRDXNBPERKH-NWDGAFQWSA-N 1 0 377.432 2.637 20 0 GFADRO CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)c2ccc(Cl)c(S(C)(=O)=O)c2)CC1 ZINC000843501742 661383562 /nfs/dbraw/zinc/38/35/62/661383562.db2.gz OZRCJMATMQYGJX-MRXNPFEDSA-N 1 0 384.929 2.594 20 0 GFADRO COC/C(C)=C\C(=O)Nc1cc(Br)ccc1N1CC[NH+](C)CC1 ZINC000844301626 661413887 /nfs/dbraw/zinc/41/38/87/661413887.db2.gz ZCVAOAMPCKYRFW-RAXLEYEMSA-N 1 0 382.302 2.732 20 0 GFADRO Cc1ccc(C[N@H+]2CC[C@H](CN(C)[C@@H](C)c3nc(N)nc(Cl)n3)C2)s1 ZINC000844328788 661415829 /nfs/dbraw/zinc/41/58/29/661415829.db2.gz XXJJHSXHAZFSPQ-QWHCGFSZSA-N 1 0 380.949 2.992 20 0 GFADRO CC(C)(C)OC(=O)[C@H]1CC(=O)N(C2CC[NH+](C[C@H]3CC3(Cl)Cl)CC2)C1 ZINC000844361957 661417115 /nfs/dbraw/zinc/41/71/15/661417115.db2.gz VWVPLBGDFNUJPN-QWHCGFSZSA-N 1 0 391.339 2.835 20 0 GFADRO C[C@H](O)C[C@H]1CCC[N@@H+]1CN1CC(c2ccc(Br)cc2)=CC1=O ZINC000844698497 661435393 /nfs/dbraw/zinc/43/53/93/661435393.db2.gz NHXXLSICKGFLLK-SUMWQHHRSA-N 1 0 379.298 2.868 20 0 GFADRO C[C@]1(CCNC(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)C[C@@]1(F)Cl ZINC000845064049 661455169 /nfs/dbraw/zinc/45/51/69/661455169.db2.gz MQEFINHZXAPOIY-LMSBXDPUSA-N 1 0 375.916 2.758 20 0 GFADRO COCCOCC[NH+]1CCN(c2ccc3ccc(Br)cc3n2)CC1 ZINC000845772184 661496220 /nfs/dbraw/zinc/49/62/20/661496220.db2.gz KVPWAOMAUKCHOO-UHFFFAOYSA-N 1 0 394.313 2.782 20 0 GFADRO CC(=O)c1cc(Br)ccc1OCC(=O)OC[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000845819185 661498700 /nfs/dbraw/zinc/49/87/00/661498700.db2.gz FMMFARDTJJEQRP-YPMHNXCESA-N 1 0 384.270 2.914 20 0 GFADRO COc1ccc(C(=O)OC[C@@H]2CC[N@H+](C)[C@@H]2C)c(I)c1 ZINC000845818033 661498727 /nfs/dbraw/zinc/49/87/27/661498727.db2.gz NQUHUIXJGNGGGK-MNOVXSKESA-N 1 0 389.233 2.797 20 0 GFADRO C[C@H]1CN(C(=O)c2snc(Cl)c2Cl)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000845904260 661505238 /nfs/dbraw/zinc/50/52/38/661505238.db2.gz PQVSAELWKWXGAG-WDEREUQCSA-N 1 0 377.341 2.548 20 0 GFADRO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(C(=O)NCCC[C@H]2CC2(Cl)Cl)CC1 ZINC000846208740 661538465 /nfs/dbraw/zinc/53/84/65/661538465.db2.gz KIQGSOGRKVYHCR-RRFJBIMHSA-N 1 0 378.344 2.888 20 0 GFADRO C[NH+](C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC[C@@]1(C)CC1(Cl)Cl ZINC000846247237 661540170 /nfs/dbraw/zinc/54/01/70/661540170.db2.gz QFOIZPGDKYHCCI-LRDDRELGSA-N 1 0 396.359 2.922 20 0 GFADRO O=C(NCCC[C@@H]1CC1(Cl)Cl)C(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000846324054 661545376 /nfs/dbraw/zinc/54/53/76/661545376.db2.gz NHJGRQOYYXTKGZ-LLVKDONJSA-N 1 0 388.270 2.500 20 0 GFADRO [NH3+]CC12CCC(CC1)CN2C(=O)/C=C\c1ccc(I)o1 ZINC000846679660 661561800 /nfs/dbraw/zinc/56/18/00/661561800.db2.gz AQNSJRQLDJPTMC-RQOWECAXSA-N 1 0 386.233 2.627 20 0 GFADRO Cc1c(Br)cccc1CC(=O)NC[C@H](C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000847177720 661579323 /nfs/dbraw/zinc/57/93/23/661579323.db2.gz KHELXUNJVPGMOX-MELADBBJSA-N 1 0 383.330 2.914 20 0 GFADRO Cc1c(Br)nccc1NC(=O)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000847192104 661580722 /nfs/dbraw/zinc/58/07/22/661580722.db2.gz JBJQDDMFJIMRAB-CQSZACIVSA-N 1 0 397.317 2.871 20 0 GFADRO O=C(NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1nc(Cl)sc1Cl ZINC000847587696 661600102 /nfs/dbraw/zinc/60/01/02/661600102.db2.gz BISIVGVBTIHVTF-WDEREUQCSA-N 1 0 378.325 2.948 20 0 GFADRO O=C(C1CC[NH+]([C@@H]2CCSC2)CC1)N1CCC(C(=O)C(F)(F)F)CC1 ZINC000847761277 661609258 /nfs/dbraw/zinc/60/92/58/661609258.db2.gz IAZZLNBVGNHZGP-CQSZACIVSA-N 1 0 378.460 2.574 20 0 GFADRO COCC[NH+](CCOC)C1CCN(C(=O)c2nc(Cl)sc2Cl)CC1 ZINC000848068428 661623560 /nfs/dbraw/zinc/62/35/60/661623560.db2.gz KHTBGWWFSJRWOM-UHFFFAOYSA-N 1 0 396.340 2.649 20 0 GFADRO Cc1c(Br)cccc1CS(=O)(=O)NCC[N@H+]1CCC[C@H]1C ZINC000848452616 661650097 /nfs/dbraw/zinc/65/00/97/661650097.db2.gz SWKGQPSXNURJBL-GFCCVEGCSA-N 1 0 375.332 2.661 20 0 GFADRO Cn1c(Cl)ncc1C[NH2+]C[C@H](CO)Cc1ccc(F)c(Br)c1 ZINC000848555256 661664229 /nfs/dbraw/zinc/66/42/29/661664229.db2.gz NFSGZUMXZYBGFS-LLVKDONJSA-N 1 0 390.684 2.916 20 0 GFADRO C[C@@H]1CCCN(C(=[NH2+])NCc2nnc(-c3ccc(Br)cc3)[nH]2)C1 ZINC000849074945 661690834 /nfs/dbraw/zinc/69/08/34/661690834.db2.gz SLGSPWAIEWAARJ-LLVKDONJSA-N 1 0 377.290 2.990 20 0 GFADRO CCOC(=O)N1CCC(NC(=[NH2+])NCc2ccc(Br)c(C)c2)CC1 ZINC000849116520 661693380 /nfs/dbraw/zinc/69/33/80/661693380.db2.gz RPVURJOKNKDPQU-UHFFFAOYSA-N 1 0 397.317 2.992 20 0 GFADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)NCc2cc(Br)cs2)cn1 ZINC000849503438 661733648 /nfs/dbraw/zinc/73/36/48/661733648.db2.gz XWACYXQSSHXNNM-GJZGRUSLSA-N 1 0 397.342 2.596 20 0 GFADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@H]2C(=O)Nc2cc(F)ccc2Br)cn1 ZINC000849560505 661734218 /nfs/dbraw/zinc/73/42/18/661734218.db2.gz BAVKUBNECKUKGN-KGLIPLIRSA-N 1 0 395.276 2.996 20 0 GFADRO Cc1ncc(Br)cc1NC(=O)[C@H]1CC[N@@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000849596593 661734809 /nfs/dbraw/zinc/73/48/09/661734809.db2.gz ARQYVMILHNHHCW-LSDHHAIUSA-N 1 0 392.301 2.560 20 0 GFADRO COc1cncc(C[NH2+]C[C@@H](CO)Cc2ccc(OC)c(Br)c2)c1 ZINC000850316384 661769847 /nfs/dbraw/zinc/76/98/47/661769847.db2.gz JOMNFPWSZTZGDD-HNNXBMFYSA-N 1 0 395.297 2.802 20 0 GFADRO O=S(=O)(CC[NH2+]Cc1cnc(CCc2ccccc2)s1)CC(F)(F)F ZINC000850365089 661772918 /nfs/dbraw/zinc/77/29/18/661772918.db2.gz AYDBUJVICYVMQJ-UHFFFAOYSA-N 1 0 392.468 2.995 20 0 GFADRO O=C1O[C@H](C[NH2+][C@@H]2CCc3ccc(I)cc32)CN1C1CC1 ZINC000850476777 661778096 /nfs/dbraw/zinc/77/80/96/661778096.db2.gz QDGBLBIHFYGUKP-UKRRQHHQSA-N 1 0 398.244 2.851 20 0 GFADRO C[C@@H]([NH2+]CC[S@](=O)CC(F)(F)F)c1ccc(-n2cncn2)cc1Cl ZINC000850491066 661778770 /nfs/dbraw/zinc/77/87/70/661778770.db2.gz KRMQOOOKQNIMLC-ZZDSUILFSA-N 1 0 380.823 2.882 20 0 GFADRO CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@@H]1[NH2+]CC[S@@](=O)CC(F)(F)F ZINC000850497096 661779523 /nfs/dbraw/zinc/77/95/23/661779523.db2.gz RUQRCTQVSIBLME-OLXKUKDPSA-N 1 0 386.480 2.971 20 0 GFADRO COc1cc([C@@H](C)[NH2+]C[C@]2(OCCO)CCOC2)ccc1SC(F)F ZINC000850509525 661779826 /nfs/dbraw/zinc/77/98/26/661779826.db2.gz REZUDVKMNNCUDY-SJKOYZFVSA-N 1 0 377.453 2.829 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2S(=O)(=O)CCc2ccccc2Cl)C1 ZINC000850589877 661782670 /nfs/dbraw/zinc/78/26/70/661782670.db2.gz PPTXRTQPAHXKFF-NJAFHUGGSA-N 1 0 386.945 2.573 20 0 GFADRO CS(=O)(=O)c1cc(C(=O)N2CCC([C@H]3CCC[NH2+]C3)CC2)ccc1Cl ZINC000850721925 661788735 /nfs/dbraw/zinc/78/87/35/661788735.db2.gz WBOUQCDRELIPRQ-HNNXBMFYSA-N 1 0 384.929 2.595 20 0 GFADRO CN(CC(F)(F)Br)C(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000850764974 661790772 /nfs/dbraw/zinc/79/07/72/661790772.db2.gz SKIFAMPHBYKTNR-GFCCVEGCSA-N 1 0 378.217 2.799 20 0 GFADRO COCC[NH+]1CCC(OC(=O)c2cnn(C(C)(C)C)c2Br)CC1 ZINC000851114482 661807033 /nfs/dbraw/zinc/80/70/33/661807033.db2.gz JQWMAGAMNCODGG-UHFFFAOYSA-N 1 0 388.306 2.668 20 0 GFADRO [NH3+]CC[C@H](NC(=O)c1ccc(C(F)(F)Br)nc1)C(F)(F)F ZINC000851639862 661827465 /nfs/dbraw/zinc/82/74/65/661827465.db2.gz VMNGWLRPBCYMOA-QMMMGPOBSA-N 1 0 376.123 2.535 20 0 GFADRO NC(=O)[C@](O)(C[N@@H+]1CCSC[C@H]1c1ccc(Cl)cc1)c1ccccc1 ZINC000851775805 661831523 /nfs/dbraw/zinc/83/15/23/661831523.db2.gz WRWDOZZGJHCMMH-HKUYNNGSSA-N 1 0 376.909 2.803 20 0 GFADRO CCC[N@@H+]1CC[C@@H](NS(=O)(=O)c2cc(C(=O)OC)c(Cl)cc2Cl)C1 ZINC000851821455 661834888 /nfs/dbraw/zinc/83/48/88/661834888.db2.gz SIQMSVKYKWWYRJ-SNVBAGLBSA-N 1 0 395.308 2.543 20 0 GFADRO O=C(Nc1ccccc1Br)C1CC[NH+](C[C@@H]2CCC(=O)O2)CC1 ZINC000851835818 661837326 /nfs/dbraw/zinc/83/73/26/661837326.db2.gz HKVUENNHHZOBER-ZDUSSCGKSA-N 1 0 381.270 2.805 20 0 GFADRO CC[NH+](CC)CCS(=O)(=O)N[C@H](C(C)C)[C@H](O)c1ccc(Cl)cc1 ZINC000851864217 661840708 /nfs/dbraw/zinc/84/07/08/661840708.db2.gz WDIHKQKVQQFAOF-IAGOWNOFSA-N 1 0 376.950 2.659 20 0 GFADRO CC[NH+](CC)CCS(=O)(=O)N[C@@H](C(C)C)[C@@H](O)c1ccc(Cl)cc1 ZINC000851864218 661840727 /nfs/dbraw/zinc/84/07/27/661840727.db2.gz WDIHKQKVQQFAOF-IRXDYDNUSA-N 1 0 376.950 2.659 20 0 GFADRO Cc1nc2ccccc2n1C[C@@H]1CCC[N@@H+]1CCn1cnc(Br)n1 ZINC000851867996 661841153 /nfs/dbraw/zinc/84/11/53/661841153.db2.gz GKWABXIZMLYCME-AWEZNQCLSA-N 1 0 389.301 2.863 20 0 GFADRO C[C@H]1Cc2ccc(Br)cc2C[N@@H+]1C[C@](O)(C(N)=O)c1ccccc1 ZINC000851884088 661842774 /nfs/dbraw/zinc/84/27/74/661842774.db2.gz AGVLUMGBBNCBKJ-ORAYPTAESA-N 1 0 389.293 2.569 20 0 GFADRO CCOP(=O)(OCC)[C@H](O)C[NH+]1CCC(Oc2ncccc2F)CC1 ZINC000851992122 661848236 /nfs/dbraw/zinc/84/82/36/661848236.db2.gz BVNDKLZVYRWUEL-HNNXBMFYSA-N 1 0 376.365 2.648 20 0 GFADRO C[C@@H]([NH2+]C[C@@H](O)c1ccccn1)c1ccc(Br)cc1OCCCO ZINC000852072273 661851551 /nfs/dbraw/zinc/85/15/51/661851551.db2.gz VJOHUBHXRHUXJZ-CXAGYDPISA-N 1 0 395.297 2.990 20 0 GFADRO CCOP(=O)(OCC)[C@H](O)C[NH+]1[C@@H](C)CN(C(=O)C(C)(C)C)C[C@@H]1C ZINC000852076511 661851754 /nfs/dbraw/zinc/85/17/54/661851754.db2.gz IULJBIQGNNDLOF-KKUMJFAQSA-N 1 0 378.450 2.538 20 0 GFADRO OC[C@@H]([NH2+]C[C@H](O)COc1ccc(Cl)cc1Br)C1CCC1 ZINC000852321424 661860352 /nfs/dbraw/zinc/86/03/52/661860352.db2.gz UZOZJQYMSYUCER-GXTWGEPZSA-N 1 0 378.694 2.593 20 0 GFADRO COCC[N@H+](C)CCCC1CCN(C(=O)NCCC2SCCS2)CC1 ZINC000852677737 661870821 /nfs/dbraw/zinc/87/08/21/661870821.db2.gz RONWRPANCHVZAG-UHFFFAOYSA-N 1 0 389.631 2.963 20 0 GFADRO O=C1CCCN1C[C@@H]1CC[N@@H+](C[C@H](O)c2ccc(F)c(Br)c2)C1 ZINC000852679794 661871271 /nfs/dbraw/zinc/87/12/71/661871271.db2.gz BTBGWGXNGHHJRW-WBMJQRKESA-N 1 0 385.277 2.566 20 0 GFADRO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)c1cnn(-c2ccccc2)c1Br ZINC000852798630 661874667 /nfs/dbraw/zinc/87/46/67/661874667.db2.gz MSYFZUHWGHRVDN-DOMZBBRYSA-N 1 0 377.286 2.882 20 0 GFADRO C[C@@H](NC(=O)C=C1CC[NH2+]CC1)c1cc2c(cc1Br)OCCO2 ZINC000852817410 661875159 /nfs/dbraw/zinc/87/51/59/661875159.db2.gz CCYFMJPLVXJDBI-LLVKDONJSA-N 1 0 381.270 2.707 20 0 GFADRO O=C(NC1CCC(N2CC[NH2+]CC2)CC1)c1cc2sccc2nc1Cl ZINC000852832883 661875614 /nfs/dbraw/zinc/87/56/14/661875614.db2.gz HNSPDUSWJVKPEO-UHFFFAOYSA-N 1 0 378.929 2.896 20 0 GFADRO CC(C)(C)n1ncc(C(=O)Nc2cnn(C3CC[NH2+]CC3)c2)c1Br ZINC000852874569 661876061 /nfs/dbraw/zinc/87/60/61/661876061.db2.gz AWHQXCJOFMRIOZ-UHFFFAOYSA-N 1 0 395.305 2.774 20 0 GFADRO CCc1ccc([C@@H]2C[NH2+]CCN2C(=O)c2c(C)nn(C)c2Br)cc1 ZINC000852877072 661876252 /nfs/dbraw/zinc/87/62/52/661876252.db2.gz BFRKKUCWTFWMAV-HNNXBMFYSA-N 1 0 391.313 2.840 20 0 GFADRO S=C(Nc1ccc(Br)cc1)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000853029862 661879004 /nfs/dbraw/zinc/87/90/04/661879004.db2.gz OZWHZNAGOFJFEI-OAHLLOKOSA-N 1 0 384.343 2.989 20 0 GFADRO COC(=O)N(C)CC[NH2+]C[C@](C)(O)c1ccc(Br)cc1Cl ZINC000853119062 661882834 /nfs/dbraw/zinc/88/28/34/661882834.db2.gz DOKQRKDNAPJUAU-AWEZNQCLSA-N 1 0 379.682 2.598 20 0 GFADRO OC1CC[NH+](Cc2ccccc2CNc2ncnc(F)c2Br)CC1 ZINC000853389719 661888269 /nfs/dbraw/zinc/88/82/69/661888269.db2.gz VIUXVOJXEGUFCA-UHFFFAOYSA-N 1 0 395.276 2.947 20 0 GFADRO Fc1ncnc(N2CCC(CCC[NH+]3CCOCC3)CC2)c1Br ZINC000853471777 661889738 /nfs/dbraw/zinc/88/97/38/661889738.db2.gz GTJIEOLXBPLPFK-UHFFFAOYSA-N 1 0 387.297 2.707 20 0 GFADRO O=C1C=C(c2ccc(Br)cc2)CN1C[N@@H+]1CC[C@H]2COC[C@@H]2C1 ZINC000853588317 661893709 /nfs/dbraw/zinc/89/37/09/661893709.db2.gz GKWVQWGOUDVJMX-HOCLYGCPSA-N 1 0 377.282 2.601 20 0 GFADRO COC(=O)c1c2cnn(C[N@@H+]3CC[C@@H]4COC[C@@H]4C3)c2ccc1Br ZINC000853589251 661893755 /nfs/dbraw/zinc/89/37/55/661893755.db2.gz HZKNJPYAZPSIGF-NEPJUHHUSA-N 1 0 394.269 2.511 20 0 GFADRO Cn1nc(Br)c2c1ncnc2N1CC[N@H+](C)C2(CCCCC2)C1 ZINC000853656700 661896411 /nfs/dbraw/zinc/89/64/11/661896411.db2.gz XYXCFFRDHXAEDR-UHFFFAOYSA-N 1 0 379.306 2.581 20 0 GFADRO CC1(C)C[N@@H+](C2(CNC(=O)NCC3SCCS3)CCCCC2)CCO1 ZINC000853706309 661897699 /nfs/dbraw/zinc/89/76/99/661897699.db2.gz UZDFFDMLVFOOIZ-UHFFFAOYSA-N 1 0 387.615 2.905 20 0 GFADRO COc1cc2cc[nH+]c(NCCS(=O)(=O)CC(F)(F)F)c2cc1OC ZINC000853817364 661902630 /nfs/dbraw/zinc/90/26/30/661902630.db2.gz UWIFPYZCIBHVPN-UHFFFAOYSA-N 1 0 378.372 2.641 20 0 GFADRO C[NH+](C)CCC[C@@H]1CN(c2ccc(S(=O)(=O)C(F)(F)F)cc2)CCO1 ZINC000853988742 661910646 /nfs/dbraw/zinc/91/06/46/661910646.db2.gz COGBYUDIIMCTSC-CQSZACIVSA-N 1 0 380.432 2.527 20 0 GFADRO CC[C@@H]([NH2+]C)c1nc(-c2cccn3c(I)cnc23)no1 ZINC000854153347 661916850 /nfs/dbraw/zinc/91/68/50/661916850.db2.gz PLQWOZMFWUJWBZ-SECBINFHSA-N 1 0 383.193 2.659 20 0 GFADRO CN(C)CC[N@H+](C)CCCN(C)C(=O)c1cc(Cl)nc(C(F)(F)F)c1 ZINC000854489974 661937016 /nfs/dbraw/zinc/93/70/16/661937016.db2.gz RBOYTTKWSUSQNY-UHFFFAOYSA-N 1 0 380.842 2.709 20 0 GFADRO O=C(NCc1cc(Br)no1)[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000854705974 661948863 /nfs/dbraw/zinc/94/88/63/661948863.db2.gz QZSJJXYFTOVNDG-OAHLLOKOSA-N 1 0 378.270 2.933 20 0 GFADRO C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1Cc3cc(Br)ccc3O1)C2 ZINC000854734644 661952138 /nfs/dbraw/zinc/95/21/38/661952138.db2.gz ALILZLPCARUZCR-FUHWJXTLSA-N 1 0 379.298 2.697 20 0 GFADRO C[NH+](C)Cc1c2ccccc2oc1C(=O)NCC[S@@](=O)CC(F)(F)F ZINC000855274294 661980869 /nfs/dbraw/zinc/98/08/69/661980869.db2.gz UESMAIVIOSOYNA-RUZDIDTESA-N 1 0 376.400 2.535 20 0 GFADRO O=C(c1ccc(C2SCCS2)cc1)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000856253542 662026964 /nfs/dbraw/zinc/02/69/64/662026964.db2.gz BNVHBIRRHGLMEO-QGZVFWFLSA-N 1 0 378.563 2.836 20 0 GFADRO C[NH+](C)C[C@H]1COC2(CCCC2)CN1C(=O)c1nc(Br)cs1 ZINC000856411362 662032436 /nfs/dbraw/zinc/03/24/36/662032436.db2.gz VAKHISDDEWIUFW-NSHDSACASA-N 1 0 388.331 2.621 20 0 GFADRO C[NH+](C)CCC[C@@H]1CN(C(=O)c2cc(Br)ncc2Cl)CCO1 ZINC000856428468 662033380 /nfs/dbraw/zinc/03/33/80/662033380.db2.gz BQMFPSAQHBMTQQ-LLVKDONJSA-N 1 0 390.709 2.680 20 0 GFADRO C[C@H]([NH2+]C[C@@H](O)COC[C@@H]1CCCO1)c1ccc(C(F)(F)F)nc1Cl ZINC000856779612 662043999 /nfs/dbraw/zinc/04/39/99/662043999.db2.gz AAEMCJRCCIXLFG-TUAOUCFPSA-N 1 0 382.810 2.961 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+](C2CCCCC2)C1)c1cccnc1I ZINC000857322473 662073359 /nfs/dbraw/zinc/07/33/59/662073359.db2.gz BDWPVRAJFHWBMJ-GFCCVEGCSA-N 1 0 399.276 2.823 20 0 GFADRO CN1CCN(c2cc[nH+]cc2NC(=O)c2ccc(Cl)c(N)c2Cl)CC1 ZINC000857440782 662081046 /nfs/dbraw/zinc/08/10/46/662081046.db2.gz CNPYXVWKVQOSTD-UHFFFAOYSA-N 1 0 380.279 2.975 20 0 GFADRO Cc1nnc(CC(=O)N2C[C@H]([NH+](C)C)CCc3cc(Br)ccc32)o1 ZINC000857883349 662093778 /nfs/dbraw/zinc/09/37/78/662093778.db2.gz REXHMSUCYXPEED-CQSZACIVSA-N 1 0 393.285 2.593 20 0 GFADRO Cn1cc(C[NH2+]CCc2cc(Cl)c3c(c2)OCCO3)c(Br)n1 ZINC000858090321 662098289 /nfs/dbraw/zinc/09/82/89/662098289.db2.gz LXBRMTPZADIAKO-UHFFFAOYSA-N 1 0 386.677 2.940 20 0 GFADRO CC[NH+]1CCN(Cc2ccc(NCc3cn(C)nc3Br)cc2)CC1 ZINC000858103043 662098913 /nfs/dbraw/zinc/09/89/13/662098913.db2.gz LQDFKPVKPHXWKN-UHFFFAOYSA-N 1 0 392.345 2.932 20 0 GFADRO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)[C@H]2C[C@@]2(C)Br)cc1 ZINC000858115252 662099495 /nfs/dbraw/zinc/09/94/95/662099495.db2.gz BJKDUIJXPISAIK-CRAIPNDOSA-N 1 0 396.329 2.870 20 0 GFADRO Cn1cc(C[NH2+]CCCC(=O)N2CCc3ccccc32)c(Br)n1 ZINC000858133926 662100437 /nfs/dbraw/zinc/10/04/37/662100437.db2.gz COTUCFCGLJSRAR-UHFFFAOYSA-N 1 0 377.286 2.642 20 0 GFADRO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NCc1cn(C)nc1Br ZINC000858139286 662100726 /nfs/dbraw/zinc/10/07/26/662100726.db2.gz IMFOVPNIBYSEQP-CJNGLKHVSA-N 1 0 378.318 2.578 20 0 GFADRO COc1cc(OC)c(C[C@@H](C)[NH2+]Cc2cn(C)nc2Br)c(OC)c1 ZINC000858172554 662103028 /nfs/dbraw/zinc/10/30/28/662103028.db2.gz BTSNGDYNWUWIAN-LLVKDONJSA-N 1 0 398.301 2.929 20 0 GFADRO Cn1c(Cl)ncc1C[NH2+][C@]1(CO)CCc2cc(Br)ccc2C1 ZINC000858241198 662105875 /nfs/dbraw/zinc/10/58/75/662105875.db2.gz YVITUGQETSFZFN-MRXNPFEDSA-N 1 0 384.705 2.846 20 0 GFADRO C[NH+]1CCN(c2ccccc2NC(=O)c2cc(Br)cnc2F)CC1 ZINC000858258806 662106440 /nfs/dbraw/zinc/10/64/40/662106440.db2.gz PCIMBAMXIWPPIR-UHFFFAOYSA-N 1 0 393.260 2.987 20 0 GFADRO C[C@@H](C[NH+]1CCCCC1)NC(=O)c1cc(Br)c2ncc(C=O)n2c1 ZINC000858446074 662111488 /nfs/dbraw/zinc/11/14/88/662111488.db2.gz GVZRBIUOXBTRNK-LBPRGKRZSA-N 1 0 393.285 2.514 20 0 GFADRO O=C(NC1CC[NH+](Cc2ccncc2)CC1)c1cc(Br)cnc1F ZINC000858610743 662116363 /nfs/dbraw/zinc/11/63/63/662116363.db2.gz DTKBFQFWFRAOJI-UHFFFAOYSA-N 1 0 393.260 2.773 20 0 GFADRO CCOc1ccc(S(=O)(=O)N2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c(C)c1 ZINC000858623694 662117103 /nfs/dbraw/zinc/11/71/03/662117103.db2.gz NIIQMTYBDDELNG-JSGCOSHPSA-N 1 0 380.432 2.542 20 0 GFADRO CCC1([NH+]2CCOCC2)CCN(C(=O)NCC[C@H]2CC2(Cl)Cl)CC1 ZINC000858629165 662117283 /nfs/dbraw/zinc/11/72/83/662117283.db2.gz NDHHPIKAUGALGE-AWEZNQCLSA-N 1 0 378.344 2.857 20 0 GFADRO C[NH+]1CCN(c2cc(-c3noc([C@@H]4C[C@@]4(C)Br)n3)ccn2)CC1 ZINC000858798392 662123672 /nfs/dbraw/zinc/12/36/72/662123672.db2.gz VRTFXOGQBWDDLX-BLLLJJGKSA-N 1 0 378.274 2.524 20 0 GFADRO CC[N@@H+]1CCC[C@H](CNS(=O)(=O)c2ccc(NC(=O)OC)c(Cl)c2)C1 ZINC000858929977 662128139 /nfs/dbraw/zinc/12/81/39/662128139.db2.gz GVUWGAVGGPJVQJ-GFCCVEGCSA-N 1 0 389.905 2.529 20 0 GFADRO O=Cc1cc(Br)cc(C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC000859356335 662156020 /nfs/dbraw/zinc/15/60/20/662156020.db2.gz OPNNNHHAVMHZGA-QGZVFWFLSA-N 1 0 395.297 2.635 20 0 GFADRO C[C@@H]([NH3+])CN(C)C(=O)Nc1nnc(-c2cccc(OC(F)(F)F)c2)s1 ZINC000859687894 662172520 /nfs/dbraw/zinc/17/25/20/662172520.db2.gz ABNNVTUMWKGKEO-MRVPVSSYSA-N 1 0 375.376 2.915 20 0 GFADRO Cn1nc(C(F)(F)F)c(CN2CCC(C)([NH+]3CCOCC3)CC2)c1Cl ZINC000859777675 662175285 /nfs/dbraw/zinc/17/52/85/662175285.db2.gz UYXFPLFEOQTNNC-UHFFFAOYSA-N 1 0 380.842 2.779 20 0 GFADRO CC(C)[N@@H+]1CCC[C@@H](NC(=O)c2cc(Br)c3ncc(C=O)n3c2)C1 ZINC000860886413 662219513 /nfs/dbraw/zinc/21/95/13/662219513.db2.gz GIWXSUGMCRWAEI-CYBMUJFWSA-N 1 0 393.285 2.512 20 0 GFADRO Cc1cnc(Br)c(NC(=O)N2CCC(C)([NH+]3CCOCC3)CC2)c1 ZINC000861136028 662228202 /nfs/dbraw/zinc/22/82/02/662228202.db2.gz QXTXIQPFLMHIAB-UHFFFAOYSA-N 1 0 397.317 2.871 20 0 GFADRO CO[C@H]1C[N@H+](C)[C@@](C)(COC(=O)c2ccccc2I)C1 ZINC000861338955 662241174 /nfs/dbraw/zinc/24/11/74/662241174.db2.gz KNEZCAADDRHMRR-IAQYHMDHSA-N 1 0 389.233 2.557 20 0 GFADRO CO[C@H]1C[N@H+](C)[C@](C)(COC(=O)c2ccc(I)cc2)C1 ZINC000861339142 662241445 /nfs/dbraw/zinc/24/14/45/662241445.db2.gz PRIXBCYTISEHJE-HIFRSBDPSA-N 1 0 389.233 2.557 20 0 GFADRO C[C@H]1CC[C@H](NC(=O)C(=O)Nc2ccc3cc(Br)ccc3c2)C[NH2+]1 ZINC000861523667 662248853 /nfs/dbraw/zinc/24/88/53/662248853.db2.gz JVCDXVWMQVCWNZ-ZBEGNZNMSA-N 1 0 390.281 2.798 20 0 GFADRO C[C@@H]([NH3+])CN(C)C(=O)C(=O)Nc1ccccc1SC[C@@H]1CC1(Cl)Cl ZINC000861540485 662249432 /nfs/dbraw/zinc/24/94/32/662249432.db2.gz VSDPVJPFYWTFEY-MNOVXSKESA-N 1 0 390.336 2.717 20 0 GFADRO CC[C@H](C(=O)NC[C@H]1CCC[N@@H+]1CCCO)c1ccc(Br)cc1 ZINC000861856541 662261309 /nfs/dbraw/zinc/26/13/09/662261309.db2.gz JESKQAMMMZLDLI-SJORKVTESA-N 1 0 383.330 2.906 20 0 GFADRO CC[C@H](C(=O)N[C@@H]1CCC[N@H+](CCCO)C1)c1ccc(Br)cc1 ZINC000861863537 662261699 /nfs/dbraw/zinc/26/16/99/662261699.db2.gz RKKYFRWJCZKJCX-SJORKVTESA-N 1 0 383.330 2.906 20 0 GFADRO CC[C@@H](C(=O)N1CC[N@H+](C)C[C@@H](C(=O)OC)C1)c1ccc(Br)cc1 ZINC000861988429 662265727 /nfs/dbraw/zinc/26/57/27/662265727.db2.gz IUMDEOIDPSJMHB-GDBMZVCRSA-N 1 0 397.313 2.506 20 0 GFADRO Cn1cc(CN2CC[C@@H]([N@H+](C)CCc3ccccc3)C2)c(Br)n1 ZINC000862413870 662286399 /nfs/dbraw/zinc/28/63/99/662286399.db2.gz FIINOEXFCPZSTQ-QGZVFWFLSA-N 1 0 377.330 2.931 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)NN2Cc3ccc(Br)cc3C2=O)C1 ZINC000862646379 662296185 /nfs/dbraw/zinc/29/61/85/662296185.db2.gz NEDOKBZVTABHKQ-KRWDZBQOSA-N 1 0 398.276 2.649 20 0 GFADRO CC(=O)N1CSC[C@H]1C(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000863036512 662309058 /nfs/dbraw/zinc/30/90/58/662309058.db2.gz CLLDPTINKXCTAD-GJZGRUSLSA-N 1 0 390.336 2.634 20 0 GFADRO CC(C)N1CCO[C@H](C(=[NH2+])NOCc2ccc(Br)c(F)c2F)C1 ZINC000863465291 662333916 /nfs/dbraw/zinc/33/39/16/662333916.db2.gz AGSQMDXCEWJWCS-LBPRGKRZSA-N 1 0 392.244 2.835 20 0 GFADRO CCC1([NH+]2CCOCC2)CCN(C(=O)c2nc(Br)ccc2C)CC1 ZINC000863492403 662334961 /nfs/dbraw/zinc/33/49/61/662334961.db2.gz VTYPDHRYAZJUTH-UHFFFAOYSA-N 1 0 396.329 2.870 20 0 GFADRO CC(C)(C)n1cc(Br)c(C(=O)N[C@H]2[C@@H]3CCC[NH2+][C@H]3C2(C)C)n1 ZINC000864088670 662354426 /nfs/dbraw/zinc/35/44/26/662354426.db2.gz HHXXLLNIYFLQQK-HONMWMINSA-N 1 0 383.334 2.907 20 0 GFADRO Cc1cc(CNC(=S)NC[C@@H]2CSCC[N@@H+]2Cc2ccccc2)no1 ZINC000865236179 662406999 /nfs/dbraw/zinc/40/69/99/662406999.db2.gz LYYDNFOIKPGNBD-QGZVFWFLSA-N 1 0 376.551 2.565 20 0 GFADRO COc1ccc(NC(=S)N2CCC([NH+]3CCN(C)CC3)CC2)cc1Cl ZINC000865267585 662408683 /nfs/dbraw/zinc/40/86/83/662408683.db2.gz RJNSDQBIZHJDAO-UHFFFAOYSA-N 1 0 382.961 2.757 20 0 GFADRO CCCS(=O)(=O)N1CCC([NH2+]Cc2cc(OC)c(OC)cc2Cl)CC1 ZINC000865413805 662419717 /nfs/dbraw/zinc/41/97/17/662419717.db2.gz YQFSRAGCTYMEPB-UHFFFAOYSA-N 1 0 390.933 2.651 20 0 GFADRO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(c2cccc(Br)n2)CC1 ZINC000865458420 662422569 /nfs/dbraw/zinc/42/25/69/662422569.db2.gz JWGYJUFOLPFBHX-UHFFFAOYSA-N 1 0 397.361 2.765 20 0 GFADRO Fc1cc(Br)ccc1CC[NH2+]Cc1cn(C[C@@H]2CCOC2)nn1 ZINC000865456444 662422673 /nfs/dbraw/zinc/42/26/73/662422673.db2.gz NRPDPJXIHVEIFG-LBPRGKRZSA-N 1 0 383.265 2.549 20 0 GFADRO Cc1ccc(C[NH2+][C@@H]2CCN(C3CCOCC3)C2=O)c(C)c1Br ZINC000865481618 662424269 /nfs/dbraw/zinc/42/42/69/662424269.db2.gz RPEXWCDZEJSXOC-MRXNPFEDSA-N 1 0 381.314 2.935 20 0 GFADRO COc1ncc(Br)cc1CNC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000865494550 662424855 /nfs/dbraw/zinc/42/48/55/662424855.db2.gz CXWPECBJCOFYHF-SJORKVTESA-N 1 0 398.345 2.710 20 0 GFADRO Brc1ccccc1-n1cc(C[NH2+][C@H]2[C@@H]3OC[C@H]4C[C@H]2C[C@H]34)nn1 ZINC000865696499 662436858 /nfs/dbraw/zinc/43/68/58/662436858.db2.gz RMCZOHSSJWJLRL-WQZURDFPSA-N 1 0 375.270 2.543 20 0 GFADRO COc1cc(C[NH2+]C[C@@H]2CC3(CO2)CCOCC3)cc(Br)c1O ZINC000865781794 662442993 /nfs/dbraw/zinc/44/29/93/662442993.db2.gz SCVMHYSKFRGLHD-ZDUSSCGKSA-N 1 0 386.286 2.839 20 0 GFADRO C[N@@H+]1CCn2nc(NCC3=Cc4cc(Br)ccc4OC3)cc2C1 ZINC000865845353 662447028 /nfs/dbraw/zinc/44/70/28/662447028.db2.gz ZLJUQVYSOJNBNV-UHFFFAOYSA-N 1 0 375.270 2.979 20 0 GFADRO CC[C@H](C[C@@H](C)O)[NH2+]Cc1cc(I)c(OC)c(OC)c1 ZINC000865873376 662448928 /nfs/dbraw/zinc/44/89/28/662448928.db2.gz XRFATWJINZHHKH-ZYHUDNBSSA-N 1 0 393.265 2.948 20 0 GFADRO C[C@@H]([NH2+]C[C@]12COC(=O)N1CCOC2)c1cc(Cl)ccc1OC(F)F ZINC000866526068 662478903 /nfs/dbraw/zinc/47/89/03/662478903.db2.gz WQBAPBYUZWPTGN-HWPZZCPQSA-N 1 0 376.787 2.813 20 0 GFADRO COc1cc([C@H](C)[NH2+]CC(C)(C)CS(N)(=O)=O)ccc1SC(F)F ZINC000866570767 662480817 /nfs/dbraw/zinc/48/08/17/662480817.db2.gz PYIAXQBUZKEMPL-JTQLQIEISA-N 1 0 382.498 2.975 20 0 GFADRO COC[C@@H]([NH2+]C1CCN([C@@H]2CCOC2)CC1)c1cccc(Br)c1 ZINC000866598203 662483059 /nfs/dbraw/zinc/48/30/59/662483059.db2.gz UIAPOCQDXLFZFA-QZTJIDSGSA-N 1 0 383.330 2.980 20 0 GFADRO C[C@H](CCCc1cccnc1)[NH2+]Cc1c(I)cnn1C ZINC000866631299 662485905 /nfs/dbraw/zinc/48/59/05/662485905.db2.gz KTWULMOKEMIGID-GFCCVEGCSA-N 1 0 384.265 2.921 20 0 GFADRO Cc1ccc(Br)c(CS(=O)(=O)N2CCC([C@@H](C)[NH3+])CC2)c1 ZINC000866738103 662493075 /nfs/dbraw/zinc/49/30/75/662493075.db2.gz NGFVLRDHXBQKIN-GFCCVEGCSA-N 1 0 375.332 2.647 20 0 GFADRO [NH3+][C@@H]1CCC[C@H]2CN(S(=O)(=O)c3oc4ccccc4c3Br)C[C@@H]21 ZINC000866757948 662494930 /nfs/dbraw/zinc/49/49/30/662494930.db2.gz IZUCYQZIMIHFCW-WCFLWFBJSA-N 1 0 399.310 2.943 20 0 GFADRO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCCN2S(=O)(=O)Cc2ccc(F)cc2Cl)C1 ZINC000866774768 662496948 /nfs/dbraw/zinc/49/69/48/662496948.db2.gz QMKKEEHHZLTBJJ-DJIMGWMZSA-N 1 0 390.908 2.670 20 0 GFADRO Cc1ccc(Br)c(CS(=O)(=O)N[C@H]2CC[NH2+]C3(CCC3)C2)c1 ZINC000866776714 662497416 /nfs/dbraw/zinc/49/74/16/662497416.db2.gz BFJVUZFBCFGREY-AWEZNQCLSA-N 1 0 387.343 2.852 20 0 GFADRO [NH3+]C[C@H]1CN(S(=O)(=O)Cc2ccc(F)cc2Cl)CC[C@@H]1C(F)(F)F ZINC000866778941 662497708 /nfs/dbraw/zinc/49/77/08/662497708.db2.gz GEZQYKNFJDZHHF-JQWIXIFHSA-N 1 0 388.814 2.768 20 0 GFADRO O=S(=O)(Cc1cc(F)ccc1Br)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000866809884 662500792 /nfs/dbraw/zinc/50/07/92/662500792.db2.gz PJHHRSRQZRWGOM-ZOZIMZAQSA-N 1 0 391.306 2.538 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2C(=O)C(=O)c1cc(Cl)cc(Cl)c1 ZINC000866864584 662504633 /nfs/dbraw/zinc/50/46/33/662504633.db2.gz WAPSGQIINHFLNQ-OWCLPIDISA-N 1 0 385.291 2.886 20 0 GFADRO CC1([NH+]2CCCC2)CCN(S(=O)(=O)c2ccc(C(F)(F)F)cn2)CC1 ZINC000867601656 662562070 /nfs/dbraw/zinc/56/20/70/662562070.db2.gz WQBXRURSXMPBBP-UHFFFAOYSA-N 1 0 377.432 2.739 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(S(=O)(=O)c3cc(Cl)ccc3OC(F)F)CC[C@@H]21 ZINC000867806293 662577682 /nfs/dbraw/zinc/57/76/82/662577682.db2.gz FSCKLYQKIYIJKW-PWSUYJOCSA-N 1 0 380.844 2.656 20 0 GFADRO Cc1ncc2c(n1)CCC[C@H]2NC(=O)[C@@H]([NH3+])c1cccc(Br)c1 ZINC000867927145 662587749 /nfs/dbraw/zinc/58/77/49/662587749.db2.gz CCCVNGRFPAYXHC-CVEARBPZSA-N 1 0 375.270 2.741 20 0 GFADRO [NH3+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1[C@@H]3Cc4ccc(Br)cc4[C@@H]31)C2 ZINC000867982590 662590497 /nfs/dbraw/zinc/59/04/97/662590497.db2.gz UHIDLDUBRIUPQG-IIDKFBGSSA-N 1 0 375.310 2.922 20 0 GFADRO CC(=O)N[C@H](C(=O)N(C)CCC[NH+]1CCCC1)c1cccc(Br)c1 ZINC000868017460 662591516 /nfs/dbraw/zinc/59/15/16/662591516.db2.gz WGCVIPWFPOIHBC-KRWDZBQOSA-N 1 0 396.329 2.571 20 0 GFADRO COCCC1(NC(=O)CCc2ccc(Br)cc2F)CC[NH2+]CC1 ZINC000868039902 662592217 /nfs/dbraw/zinc/59/22/17/662592217.db2.gz BHCYHCRDDUPZKQ-UHFFFAOYSA-N 1 0 387.293 2.796 20 0 GFADRO COCCC1(NC(=O)C(F)(F)c2ccc(Br)cc2)CC[NH2+]CC1 ZINC000868043594 662592377 /nfs/dbraw/zinc/59/23/77/662592377.db2.gz OBYPNJBEWRVCMQ-UHFFFAOYSA-N 1 0 391.256 2.816 20 0 GFADRO Cc1csc([C@](O)(CC(=O)Nc2cc(F)cc(C[NH3+])c2)C(F)(F)F)n1 ZINC000868068134 662593318 /nfs/dbraw/zinc/59/33/18/662593318.db2.gz ICENAXSJFURPSE-CQSZACIVSA-N 1 0 377.363 2.828 20 0 GFADRO O=C(Nc1cc(Br)ccc1-n1cccn1)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000868120564 662595126 /nfs/dbraw/zinc/59/51/26/662595126.db2.gz IXZMKKQDWCUDMT-DZGCQCFKSA-N 1 0 390.285 2.993 20 0 GFADRO COc1cc(NC(=O)N2CCC[C@@H]3[NH2+]CC[C@H]32)cc(OC)c1Br ZINC000868143857 662596056 /nfs/dbraw/zinc/59/60/56/662596056.db2.gz YXFILHKNYQFIDQ-NWDGAFQWSA-N 1 0 384.274 2.825 20 0 GFADRO O=C(Nc1ccc(I)cc1F)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000868169653 662597363 /nfs/dbraw/zinc/59/73/63/662597363.db2.gz CFMSNPIMFDSFCQ-QWHCGFSZSA-N 1 0 389.212 2.789 20 0 GFADRO COC[C@H](NC(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1)c1cccc(Br)c1 ZINC000869148631 662632009 /nfs/dbraw/zinc/63/20/09/662632009.db2.gz JSPJJWFEFBZTQL-XIRDDKMYSA-N 1 0 396.329 2.872 20 0 GFADRO CSc1cc(C(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)ccc1Br ZINC000869299181 662640580 /nfs/dbraw/zinc/64/05/80/662640580.db2.gz MJOFHXFXSOXNSR-AWEZNQCLSA-N 1 0 399.354 2.842 20 0 GFADRO CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](O)[C@H]2c2ccc(Br)cc2)CC[N@@H+]1C ZINC000869489735 662648896 /nfs/dbraw/zinc/64/88/96/662648896.db2.gz OPDVRBFSKRUZQQ-YLFCFFPRSA-N 1 0 381.314 2.814 20 0 GFADRO Cc1nc(SC(F)(F)F)sc1CC(=O)N[C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC000869777623 662661221 /nfs/dbraw/zinc/66/12/21/662661221.db2.gz RTKIERNIPWRCLK-JTQLQIEISA-N 1 0 397.488 2.567 20 0 GFADRO CC1([NH+]2CCCC2)CCN(C(=O)c2c(Br)nc3n2CCC3)CC1 ZINC000870258646 662681209 /nfs/dbraw/zinc/68/12/09/662681209.db2.gz PPUMCUISPHOPNT-UHFFFAOYSA-N 1 0 381.318 2.682 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)[C@H]1CC[C@@H]([NH3+])CC1 ZINC000870877023 662704329 /nfs/dbraw/zinc/70/43/29/662704329.db2.gz ZPIQQYLPUKZKBG-XBXGTLAGSA-N 1 0 382.302 2.720 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)[C@H]1CC[C@@H]([NH3+])CC1 ZINC000870878693 662704588 /nfs/dbraw/zinc/70/45/88/662704588.db2.gz PRICKKHQBPOYPM-XBXGTLAGSA-N 1 0 382.302 2.720 20 0 GFADRO CC(C)[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000870973153 662711897 /nfs/dbraw/zinc/71/18/97/662711897.db2.gz LBAMVKDFZOJXCX-OQMKEHIESA-N 1 0 383.945 2.803 20 0 GFADRO C[C@@H](NC(=O)[C@@H]1CCN(c2cc(Cl)ccc2Cl)C1=O)C1CC[NH2+]CC1 ZINC000870986417 662712136 /nfs/dbraw/zinc/71/21/36/662712136.db2.gz PFKHPWGAFWYRBD-RISCZKNCSA-N 1 0 384.307 2.851 20 0 GFADRO O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(-n2cc(Br)cn2)cc1 ZINC000870976486 662712205 /nfs/dbraw/zinc/71/22/05/662712205.db2.gz GMASOCVINMBKLZ-BZWBGLRVSA-N 1 0 389.297 2.895 20 0 GFADRO COC(=O)[C@H](c1ccc(Br)s1)N(C)C(=O)C1CC[NH+](C)CC1 ZINC000871395687 662721374 /nfs/dbraw/zinc/72/13/74/662721374.db2.gz AKKYKOJFDQLSSJ-ZDUSSCGKSA-N 1 0 389.315 2.525 20 0 GFADRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2cc(Cl)cc(Cl)c2)C[C@H]1C(F)(F)F ZINC000871811485 662734871 /nfs/dbraw/zinc/73/48/71/662734871.db2.gz PCZIUIVYBRJPHE-RDDDGLTNSA-N 1 0 377.215 2.751 20 0 GFADRO COC(=O)c1cc(S(=O)(=O)N(C)CCCCCC[NH3+])c(Cl)cc1Cl ZINC000871821413 662735887 /nfs/dbraw/zinc/73/58/87/662735887.db2.gz STUPSDSKVLKKGR-UHFFFAOYSA-N 1 0 397.324 2.920 20 0 GFADRO CC[NH+](CC)[C@@H](CN1C(=O)N[C@@H](Cc2cncs2)C1=O)c1ccsc1 ZINC000871891098 662739764 /nfs/dbraw/zinc/73/97/64/662739764.db2.gz KJUUDABEAYIITO-GJZGRUSLSA-N 1 0 378.523 2.751 20 0 GFADRO O=C1N[C@H](Cc2cncs2)C(=O)N1C[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000871897274 662740376 /nfs/dbraw/zinc/74/03/76/662740376.db2.gz RMNYPPNZQUXKGH-KGLIPLIRSA-N 1 0 376.507 2.505 20 0 GFADRO C[NH+](C)[C@H](CN1C(=O)N[C@H](Cc2cncs2)C1=O)c1ccc(Cl)cc1 ZINC000871896669 662740417 /nfs/dbraw/zinc/74/04/17/662740417.db2.gz AVHNGSRWMRGXNB-HUUCEWRRSA-N 1 0 378.885 2.562 20 0 GFADRO O[C@H](C[NH2+][C@H](c1cccc(Br)c1)[C@H]1CCOC1)COCC1CC1 ZINC000872031798 662754384 /nfs/dbraw/zinc/75/43/84/662754384.db2.gz TYQNMABPEYLPPO-CGTJXYLNSA-N 1 0 384.314 2.904 20 0 GFADRO CS(=O)(=O)CCCC[NH2+][C@H](c1cccc(Br)c1)[C@H]1CCOC1 ZINC000872079865 662755401 /nfs/dbraw/zinc/75/54/01/662755401.db2.gz LTHWREXTPXRSNH-GOEBONIOSA-N 1 0 390.343 2.941 20 0 GFADRO CC[C@@H]1c2ccsc2CCN1C(=O)CN1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000872151823 662757012 /nfs/dbraw/zinc/75/70/12/662757012.db2.gz XWLKDZOWMMMXPF-KWCYVHTRSA-N 1 0 375.460 2.653 20 0 GFADRO O=S(=O)(Cc1noc(/C=C\[C@H]2CCC[NH2+]C2)n1)Cc1ccc(Cl)cc1 ZINC000872183263 662757587 /nfs/dbraw/zinc/75/75/87/662757587.db2.gz DQKDCQXYCUYXFE-DMTLFAOVSA-N 1 0 381.885 2.851 20 0 GFADRO O[C@@H](C[NH2+]CCn1ccc(C(F)(F)F)n1)c1cccc(Br)c1 ZINC000872246643 662759206 /nfs/dbraw/zinc/75/92/06/662759206.db2.gz HXNUZGBYMGSSOH-LBPRGKRZSA-N 1 0 378.192 2.988 20 0 GFADRO C[N@@H+]1CCN(Cn2nc(Br)c(=O)c3ccccc32)CCC1(C)C ZINC000872696268 662785932 /nfs/dbraw/zinc/78/59/32/662785932.db2.gz PFTYUKKHNGHVHJ-UHFFFAOYSA-N 1 0 379.302 2.533 20 0 GFADRO CN1CC[C@@H]2C[N@H+](Cn3ccc(=O)c4cccc(Br)c43)CC[C@H]21 ZINC000872726521 662786887 /nfs/dbraw/zinc/78/68/87/662786887.db2.gz RPKKKAUWHDGOLN-CZUORRHYSA-N 1 0 376.298 2.748 20 0 GFADRO Cc1ccc(Br)c(F)c1C[NH2+]CC1CCN(S(C)(=O)=O)CC1 ZINC000873031507 662797107 /nfs/dbraw/zinc/79/71/07/662797107.db2.gz URKPLLWOWVNEEG-UHFFFAOYSA-N 1 0 393.322 2.658 20 0 GFADRO COc1cc(C[NH2+]CC2C[C@H]3CC[C@@H](C2)S3(=O)=O)c(SC)cc1OC ZINC000873171059 662802546 /nfs/dbraw/zinc/80/25/46/662802546.db2.gz BJVRPMPFYYXSEF-LQDVMPOASA-N 1 0 385.551 2.871 20 0 GFADRO C[C@]12C[NH2+]C[C@H]1CN(C(=O)Nc1nnc(SCc3ccccc3)s1)C2 ZINC000873300433 662805016 /nfs/dbraw/zinc/80/50/16/662805016.db2.gz WGWNYGWXRZHREV-SUMWQHHRSA-N 1 0 375.523 2.904 20 0 GFADRO COC(=O)c1cc(NC(=O)N[C@]23CCC[C@H]2[NH2+]CC3)ccc1Br ZINC000873314327 662805218 /nfs/dbraw/zinc/80/52/18/662805218.db2.gz HPRDOUGVGVQGTL-CJNGLKHVSA-N 1 0 382.258 2.642 20 0 GFADRO Cc1nc(Br)ccc1NC(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000873315812 662805289 /nfs/dbraw/zinc/80/52/89/662805289.db2.gz WOSVOTSGSRZASP-BDAKNGLRSA-N 1 0 381.196 2.753 20 0 GFADRO COc1cc(NC(=O)N[C@]23CCC[C@H]2[NH2+]CC3)cc(OC)c1Br ZINC000873315207 662805318 /nfs/dbraw/zinc/80/53/18/662805318.db2.gz OUKKMAQJTXJNFP-CJNGLKHVSA-N 1 0 384.274 2.872 20 0 GFADRO COc1cc(OC)c(NC(=O)N[C@@]23CCC[C@H]2[NH2+]CC3)cc1Br ZINC000873319964 662805400 /nfs/dbraw/zinc/80/54/00/662805400.db2.gz NGHHPKRIXYNBKY-GDBMZVCRSA-N 1 0 384.274 2.872 20 0 GFADRO COC(=O)c1cccc(NC(=O)N[C@]23CCC[C@H]2[NH2+]CC3)c1Br ZINC000873324882 662805491 /nfs/dbraw/zinc/80/54/91/662805491.db2.gz UQHJYFHZYSQQEB-WBMJQRKESA-N 1 0 382.258 2.642 20 0 GFADRO Cc1ncc(Br)cc1NC(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000873326562 662805583 /nfs/dbraw/zinc/80/55/83/662805583.db2.gz BVMZKLQKFPRWGW-WCBMZHEXSA-N 1 0 381.196 2.753 20 0 GFADRO Cc1nc2ccc(Br)cn2c1C(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2C ZINC000874829740 662837754 /nfs/dbraw/zinc/83/77/54/662837754.db2.gz NPONCKQQSKHPTM-UONOGXRCSA-N 1 0 377.286 2.714 20 0 GFADRO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)c1cc(Br)cnc1OCC1CC1 ZINC000874830412 662837822 /nfs/dbraw/zinc/83/78/22/662837822.db2.gz SHNKKVRHZVNGAC-JKSUJKDBSA-N 1 0 394.313 2.942 20 0 GFADRO COc1cc(/C=C/C(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3C)cc(Br)c1O ZINC000874847045 662838284 /nfs/dbraw/zinc/83/82/84/662838284.db2.gz LYGLUCMGZKIADP-XEVLESSRSA-N 1 0 395.297 2.872 20 0 GFADRO CC[NH+](CC)[C@@H](CNC(=O)C(=O)NCC[C@H]1CCSC1)c1ccsc1 ZINC000875056752 662841348 /nfs/dbraw/zinc/84/13/48/662841348.db2.gz GSXNQHKKWJCGHV-HOCLYGCPSA-N 1 0 383.583 2.507 20 0 GFADRO O=C(N[C@@H]1[C@@H]2Cc3ccc(Br)cc3[C@@H]21)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000876261161 662858159 /nfs/dbraw/zinc/85/81/59/662858159.db2.gz CPFIPYQLNOTMOJ-NRSFXHEJSA-N 1 0 388.309 2.743 20 0 GFADRO O=C(NCCC[NH2+]Cc1cccnc1)c1nc(Br)sc1Cl ZINC000876508093 662862209 /nfs/dbraw/zinc/86/22/09/662862209.db2.gz UBYFKGMFWHEEMM-UHFFFAOYSA-N 1 0 389.706 2.864 20 0 GFADRO O=C(NCC1(c2cccc(Br)c2)CCOCC1)[C@@H](F)[C@@H]1CC[NH2+]C1 ZINC000876606808 662863282 /nfs/dbraw/zinc/86/32/82/662863282.db2.gz LECOYZVBOGGGLZ-CJNGLKHVSA-N 1 0 399.304 2.561 20 0 GFADRO O=C(NC1(c2cccc(Br)c2)CCOCC1)[C@@H](F)[C@H]1CC[NH2+]C1 ZINC000876616328 662863530 /nfs/dbraw/zinc/86/35/30/662863530.db2.gz WGYAWDHQTTVDEK-WFASDCNBSA-N 1 0 385.277 2.519 20 0 GFADRO O=C(/C=C\[C@@H]1CCC[NH2+]C1)N1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000876615454 662863542 /nfs/dbraw/zinc/86/35/42/662863542.db2.gz FOOWMSKVLXTLAR-QBFALRBDSA-N 1 0 379.298 2.905 20 0 GFADRO Cc1cnn([C@H]2CCC[NH2+]C2)c1C(=O)NCc1sccc1Br ZINC000876631265 662863775 /nfs/dbraw/zinc/86/37/75/662863775.db2.gz RJICGQCQAVXZPS-NSHDSACASA-N 1 0 383.315 2.870 20 0 GFADRO O=C(/C=C/[C@H]1CCC[NH2+]C1)Nc1ncn(Cc2cccc(Br)c2)n1 ZINC000876632537 662863852 /nfs/dbraw/zinc/86/38/52/662863852.db2.gz VUGUXFIYIPHUEO-KTRBRXNASA-N 1 0 390.285 2.583 20 0 GFADRO O=C(c1cnc(-c2ccccc2Br)s1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000876836791 662867083 /nfs/dbraw/zinc/86/70/83/662867083.db2.gz AKKQMIZHMFSLKE-PHIMTYICSA-N 1 0 378.295 2.864 20 0 GFADRO C[NH+](C)CCOc1ccc(NCc2cccc(S(N)(=O)=O)c2)cc1Cl ZINC000876850288 662867334 /nfs/dbraw/zinc/86/73/34/662867334.db2.gz NLRXAZFQWLKJLK-UHFFFAOYSA-N 1 0 383.901 2.540 20 0 GFADRO CC(C)n1ncc(C(=O)N2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)c1Br ZINC000876918479 662867996 /nfs/dbraw/zinc/86/79/96/662867996.db2.gz IMWQJAUANQVKPG-HUUCEWRRSA-N 1 0 399.333 2.585 20 0 GFADRO [NH3+]C1(CNC(=O)c2cc(Br)cnc2F)C2CC3CC(C2)CC1C3 ZINC000876926233 662868274 /nfs/dbraw/zinc/86/82/74/662868274.db2.gz MXJPARVVEDSNQU-UHFFFAOYSA-N 1 0 382.277 2.867 20 0 GFADRO O=C(COc1ccccc1C[NH2+]C[C@@H]1CC1(Cl)Cl)NC[C@H]1CCCO1 ZINC000876955737 662868646 /nfs/dbraw/zinc/86/86/46/662868646.db2.gz BSGVZYHVQZXDCK-LSDHHAIUSA-N 1 0 387.307 2.644 20 0 GFADRO C[C@]12CCN(C(=O)[C@@H]3C[C@@H]([NH3+])C3(C)C)C[C@H]1C2(Br)Br ZINC000876959622 662868662 /nfs/dbraw/zinc/86/86/62/662868662.db2.gz WKYFHECENNNIDX-WTBMIXGQSA-N 1 0 394.151 2.714 20 0 GFADRO O=C(/C=C\[C@@H]1CCC[NH2+]C1)N1CCOC[C@H]1c1cccc(Br)c1 ZINC000876970313 662868863 /nfs/dbraw/zinc/86/88/63/662868863.db2.gz OOEBEFUDLVBKDI-GMMSVRSPSA-N 1 0 379.298 2.905 20 0 GFADRO Brc1cnc2c(C[NH2+]Cc3ccc(C4OCCO4)cc3)cnn2c1 ZINC000877030941 662869917 /nfs/dbraw/zinc/86/99/17/662869917.db2.gz NYAJJWOSISLCIU-UHFFFAOYSA-N 1 0 389.253 2.827 20 0 GFADRO COC(=O)c1ccc(C[NH2+][C@H]2CCC[C@H](C(=O)N(C)C)C2)cc1Br ZINC000877044489 662870226 /nfs/dbraw/zinc/87/02/26/662870226.db2.gz AVDHKCURXAEOFX-KBPBESRZSA-N 1 0 397.313 2.972 20 0 GFADRO C[C@@H]([NH3+])CN(C)C(=O)c1cccc(NC(=O)c2ccc(Br)o2)c1 ZINC000877100232 662871111 /nfs/dbraw/zinc/87/11/11/662871111.db2.gz RAAZVQRKNVTACW-SNVBAGLBSA-N 1 0 380.242 2.714 20 0 GFADRO CN(C[C@@H](O)COc1cc(Cl)cc(Cl)c1)C(=O)[C@H]1CC[C@@H]([NH3+])CC1 ZINC000877129606 662871464 /nfs/dbraw/zinc/87/14/64/662871464.db2.gz DJDWJMWPHNCPCW-BYCMXARLSA-N 1 0 375.296 2.709 20 0 GFADRO COC(=O)c1ccc(C[NH2+][C@H]2CCO[C@]3(CCOC3)C2)cc1Br ZINC000877132773 662871531 /nfs/dbraw/zinc/87/15/31/662871531.db2.gz MXIZKMDPLPMLLH-SUMWQHHRSA-N 1 0 384.270 2.663 20 0 GFADRO O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21 ZINC000877245757 662872430 /nfs/dbraw/zinc/87/24/30/662872430.db2.gz JWVDHVNXPIAPCM-VTERKQRTSA-N 1 0 375.310 2.982 20 0 GFADRO C[C@]1(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1(Br)Br ZINC000877246452 662872520 /nfs/dbraw/zinc/87/25/20/662872520.db2.gz GNCXFCNXBHCFGG-DTHBNOIPSA-N 1 0 380.124 2.529 20 0 GFADRO O=C(c1cnn(-c2cccc(Br)c2)c1)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000877280179 662872967 /nfs/dbraw/zinc/87/29/67/662872967.db2.gz UHYROOSQAFUKIU-HZPDHXFCSA-N 1 0 375.270 2.601 20 0 GFADRO Cc1c(C(=O)N2CCC[C@@H]3[NH2+]CC[C@@H]32)cnn1-c1cccc(Br)c1 ZINC000877280785 662873078 /nfs/dbraw/zinc/87/30/78/662873078.db2.gz XMASTRAICYLGQP-IRXDYDNUSA-N 1 0 389.297 2.910 20 0 GFADRO CN[C@@H](C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2)c1cccc(Cl)c1Cl ZINC000877329746 662873792 /nfs/dbraw/zinc/87/37/92/662873792.db2.gz XWCYFJIMPCVHKY-MLGOLLRUSA-N 1 0 386.323 2.529 20 0 GFADRO O=C(NC[C@H]1CC2(CO1)CC[NH2+]CC2)c1cc(Cl)ccc1Br ZINC000877336851 662873823 /nfs/dbraw/zinc/87/38/23/662873823.db2.gz PFKQWMDRRFIMKY-GFCCVEGCSA-N 1 0 387.705 2.991 20 0 GFADRO O=C(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)c1cc(-c2ccc(Cl)s2)on1 ZINC000877336068 662873876 /nfs/dbraw/zinc/87/38/76/662873876.db2.gz KIALYVVAMCBXCD-NSHDSACASA-N 1 0 381.885 2.945 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)c2nc(Br)sc2Cl)C[C@@H]1C(F)(F)F ZINC000877354185 662874123 /nfs/dbraw/zinc/87/41/23/662874123.db2.gz CIXYNESFJIHOPY-UHNVWZDZSA-N 1 0 392.628 2.768 20 0 GFADRO COC(=O)c1cn([C@H]2CC[N@H+](Cc3cc4nc(Cl)ccc4s3)C2)nn1 ZINC000877352644 662874150 /nfs/dbraw/zinc/87/41/50/662874150.db2.gz ADLSDYWRGWWAPU-JTQLQIEISA-N 1 0 377.857 2.775 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)c2c(Cl)nc3cc(Cl)ccn32)C[C@H]1C(F)(F)F ZINC000877357358 662874369 /nfs/dbraw/zinc/87/43/69/662874369.db2.gz SALNEYMMMAHLTN-VXNVDRBHSA-N 1 0 381.185 2.850 20 0 GFADRO CC(C)COc1ncc(C(=O)N2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1Cl ZINC000877359454 662874553 /nfs/dbraw/zinc/87/45/53/662874553.db2.gz SUNSQTQLBGFJOX-RYUDHWBXSA-N 1 0 379.810 2.979 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)COc2ccc(Br)cc2F)C[C@@H]1C(F)(F)F ZINC000877365316 662874765 /nfs/dbraw/zinc/87/47/65/662874765.db2.gz DTQUDVRLVZCGLE-SCZZXKLOSA-N 1 0 399.182 2.563 20 0 GFADRO CS(=O)(=O)c1cc(C(=O)N2CCC[C@H](C[C@H]([NH3+])C3CCCC3)C2)cs1 ZINC000877444998 662876097 /nfs/dbraw/zinc/87/60/97/662876097.db2.gz NUZKEDUFBLSGNF-CJNGLKHVSA-N 1 0 384.567 2.911 20 0 GFADRO CCO[P@](C)(=O)CC[C@@H](C)[NH2+]CCN(C)S(=O)(=O)c1ccc(F)cc1 ZINC000877496330 662877189 /nfs/dbraw/zinc/87/71/89/662877189.db2.gz RPHQWINFPAEYRZ-SHACYNPGSA-N 1 0 394.449 2.759 20 0 GFADRO NC(=O)C1CC[NH+](Cc2ccc(CNCc3nc(Cl)cs3)cc2)CC1 ZINC000877591351 662879598 /nfs/dbraw/zinc/87/95/98/662879598.db2.gz CGQAOVRJVPWHAA-UHFFFAOYSA-N 1 0 378.929 2.784 20 0 GFADRO C[C@@H]([NH2+]Cc1cnn2cc(Br)cnc12)[C@@](C)(O)c1ccccc1 ZINC000877611232 662879868 /nfs/dbraw/zinc/87/98/68/662879868.db2.gz YCQZFBYAZMHBBD-SJKOYZFVSA-N 1 0 375.270 2.878 20 0 GFADRO CON(C)C(=O)[C@H](C)[NH2+][C@@H]1CCN(C)[C@@H](c2ccc(Br)cc2)C1 ZINC000877659783 662881064 /nfs/dbraw/zinc/88/10/64/662881064.db2.gz CKQMILAJIADXIQ-APHBMKBZSA-N 1 0 384.318 2.582 20 0 GFADRO CCO[P@@](C)(=O)CC[C@H](C)[NH2+][C@@H]1CCCC[C@H]1NS(=O)(=O)C1CC1 ZINC000877700564 662882264 /nfs/dbraw/zinc/88/22/64/662882264.db2.gz DFPHDQXMTCHLRV-WLVPTWKASA-N 1 0 380.491 2.692 20 0 GFADRO CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+]Cc2nc(C(F)(F)F)n3c2CCCC3)C1 ZINC000877732887 662882512 /nfs/dbraw/zinc/88/25/12/662882512.db2.gz OZHNFMAPGKTNLG-NWDGAFQWSA-N 1 0 379.448 2.684 20 0 GFADRO COC(=O)[C@@H]1OCC[C@@H]1C[NH2+]Cc1ccnc2c(Br)cccc12 ZINC000877725635 662882570 /nfs/dbraw/zinc/88/25/70/662882570.db2.gz IBZMJUHAOJQXID-MLGOLLRUSA-N 1 0 379.254 2.665 20 0 GFADRO CN1CC[NH+](C2CCN(Cc3nc(Cl)ccc3Br)CC2)CC1 ZINC000877746613 662882754 /nfs/dbraw/zinc/88/27/54/662882754.db2.gz TXWYEHCDZJPIJD-UHFFFAOYSA-N 1 0 387.753 2.709 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+][C@@H]2[C@@H]3Cc4ccc(Br)cc4[C@@H]32)cc1 ZINC000877760962 662883016 /nfs/dbraw/zinc/88/30/16/662883016.db2.gz PGUDSHVHINMGJQ-IXDOHACOSA-N 1 0 393.306 2.524 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(C(=O)Nc3ccccc3I)CC[C@H]21 ZINC000877909390 662885721 /nfs/dbraw/zinc/88/57/21/662885721.db2.gz HBQAJHGHFXYWDB-BXUZGUMPSA-N 1 0 385.249 2.849 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(C(=O)Nc3ccc(I)cc3)CC[C@H]21 ZINC000877922127 662886012 /nfs/dbraw/zinc/88/60/12/662886012.db2.gz UAZSLTNBJQXAGB-BXUZGUMPSA-N 1 0 385.249 2.849 20 0 GFADRO Cc1ccccc1C[N@@H+]1CCCN(C[C@@H](O)c2cc(Br)no2)CC1 ZINC000877930737 662886313 /nfs/dbraw/zinc/88/63/13/662886313.db2.gz RUEDQBRIFRVKON-MRXNPFEDSA-N 1 0 394.313 2.987 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(C(=O)Nc3cc4c(cc3Br)OCCO4)CC[C@H]21 ZINC000878007383 662887969 /nfs/dbraw/zinc/88/79/69/662887969.db2.gz DJHBEHBPNXKOFI-BXUZGUMPSA-N 1 0 396.285 2.778 20 0 GFADRO Cn1ncc(Br)c1CC(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000878121601 662890170 /nfs/dbraw/zinc/89/01/70/662890170.db2.gz MWKABEPERIVPEZ-INIZCTEOSA-N 1 0 391.313 2.678 20 0 GFADRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(C[C@H](O)c2cc(Br)no2)C1 ZINC000878171923 662891166 /nfs/dbraw/zinc/89/11/66/662891166.db2.gz YSUWFSUFCSPYKL-CABCVRRESA-N 1 0 380.286 2.677 20 0 GFADRO C[C@@H]1CN(C[C@H](O)c2ccc(Cl)c(Cl)c2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000878324882 662893915 /nfs/dbraw/zinc/89/39/15/662893915.db2.gz PMJHKYMZDBSTFR-ZMYBRWDISA-N 1 0 386.367 2.985 20 0 GFADRO C[C@@H]([NH2+]C[C@@H](O)c1cc(Br)no1)c1ccc(N2CCCC2=O)cc1 ZINC000878358877 662894520 /nfs/dbraw/zinc/89/45/20/662894520.db2.gz XDKAYVRHRUFIDD-BXUZGUMPSA-N 1 0 394.269 2.948 20 0 GFADRO OC[C@H]([NH2+]C[C@H](O)C[C@@H](O)c1ccccc1)c1ccc(Br)cc1 ZINC000878398236 662895465 /nfs/dbraw/zinc/89/54/65/662895465.db2.gz YWMJNBHRFALNJU-FGTMMUONSA-N 1 0 380.282 2.557 20 0 GFADRO C[N@@H+]1CCC[C@H]1CNC(=O)c1cc(Br)nn1-c1ncccc1Cl ZINC000878428475 662896214 /nfs/dbraw/zinc/89/62/14/662896214.db2.gz OAROUOORJWIPHY-JTQLQIEISA-N 1 0 398.692 2.507 20 0 GFADRO O[C@H](CN1CCC(c2ncc3n2CCCC3)CC1)c1cc(Br)no1 ZINC000878528256 662898113 /nfs/dbraw/zinc/89/81/13/662898113.db2.gz MCBOXERZBPQYIV-CQSZACIVSA-N 1 0 395.301 2.883 20 0 GFADRO CC(C)(C)S(=O)(=O)CCC[NH2+][C@@H](CO)c1ccccc1OC(F)(F)F ZINC000878541476 662898670 /nfs/dbraw/zinc/89/86/70/662898670.db2.gz POMCMYTWOUENAK-ZDUSSCGKSA-N 1 0 383.432 2.812 20 0 GFADRO C[C@@](CO)([NH2+]C[C@H]1CC2(CO1)CCOCC2)c1ccc(Br)cc1 ZINC000878602820 662899971 /nfs/dbraw/zinc/89/99/71/662899971.db2.gz HSMPKRKQQLRZCL-SJORKVTESA-N 1 0 384.314 2.832 20 0 GFADRO C[C@@](CO)([NH2+]C[C@H]1CCC2(CCOCC2)O1)c1ccc(Br)cc1 ZINC000878603688 662899990 /nfs/dbraw/zinc/89/99/90/662899990.db2.gz GILBOUSOIRWHJJ-SJORKVTESA-N 1 0 384.314 2.974 20 0 GFADRO C[N@H+](C[C@@H](O)CC1(CO)CCCC1)C[C@@H](O)c1ccccc1Br ZINC000878692022 662902714 /nfs/dbraw/zinc/90/27/14/662902714.db2.gz UQWHGXXNYBATTR-WMLDXEAASA-N 1 0 386.330 2.718 20 0 GFADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)c1cc(Br)ccc1C1CC1 ZINC000878761277 662904485 /nfs/dbraw/zinc/90/44/85/662904485.db2.gz PCDYRTSLYBUQLV-ZDUSSCGKSA-N 1 0 380.330 2.692 20 0 GFADRO O[C@H](C[N@@H+]1CCC[C@H](O)[C@@H]1CCc1ccccc1)c1cc(Br)no1 ZINC000878764477 662904501 /nfs/dbraw/zinc/90/45/01/662904501.db2.gz HDKKQDUYYBWUTJ-HRCADAONSA-N 1 0 395.297 2.929 20 0 GFADRO CN(Cc1cscc1Br)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000878809297 662906048 /nfs/dbraw/zinc/90/60/48/662906048.db2.gz SAUUYPWMINLJCR-UHFFFAOYSA-N 1 0 386.319 2.933 20 0 GFADRO Cn1ncc(Br)c1CC(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000878854699 662907381 /nfs/dbraw/zinc/90/73/81/662907381.db2.gz YDMAZBAJODSKEJ-HNNXBMFYSA-N 1 0 391.313 2.506 20 0 GFADRO Brc1cncc(O[C@H]2CC[N@H+](C[C@H]3CC4(CO3)CCOCC4)C2)c1 ZINC000878875783 662908068 /nfs/dbraw/zinc/90/80/68/662908068.db2.gz FUTXWQTXRVQMQB-DOTOQJQBSA-N 1 0 397.313 2.883 20 0 GFADRO CCCSc1nsc(NC(=O)N2CCC([NH2+]C3CCOCC3)CC2)n1 ZINC000878945809 662910578 /nfs/dbraw/zinc/91/05/78/662910578.db2.gz SLADZHOWPBYZOP-UHFFFAOYSA-N 1 0 385.559 2.805 20 0 GFADRO O=C(NCCC[NH+]1CCC(O)CC1)c1cc(Br)ccc1C1CC1 ZINC000879122791 662917850 /nfs/dbraw/zinc/91/78/50/662917850.db2.gz WRCDSEZLYXOBAZ-UHFFFAOYSA-N 1 0 381.314 2.903 20 0 GFADRO C[C@H]1CCC[N@@H+]1CCNC(=O)c1cc(Br)ncc1Br ZINC000879537315 662928586 /nfs/dbraw/zinc/92/85/86/662928586.db2.gz XUEWZOCUNFNFGD-VIFPVBQESA-N 1 0 391.107 2.821 20 0 GFADRO Cc1cc(Br)nc(NC(=O)N2CCC([NH2+]C3CCOCC3)CC2)c1 ZINC000879845946 662940630 /nfs/dbraw/zinc/94/06/30/662940630.db2.gz NJANJRQGXIVRLJ-UHFFFAOYSA-N 1 0 397.317 2.917 20 0 GFADRO CN(C)S(=O)(=O)c1ccc(CN2CCC(C)([NH+]3CCCCC3)CC2)s1 ZINC000879951719 662943292 /nfs/dbraw/zinc/94/32/92/662943292.db2.gz NWZCHZBQKJVNLJ-UHFFFAOYSA-N 1 0 385.599 2.839 20 0 GFADRO Cn1cc(NC(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c(Br)n1 ZINC000880040215 662946463 /nfs/dbraw/zinc/94/64/63/662946463.db2.gz FHSVMVZKLJSEKD-CQSZACIVSA-N 1 0 392.301 2.969 20 0 GFADRO Cn1cc(NC(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)c(Br)n1 ZINC000880047131 662947133 /nfs/dbraw/zinc/94/71/33/662947133.db2.gz IJLMVGJVZRNQHZ-AWEZNQCLSA-N 1 0 392.301 2.969 20 0 GFADRO CCCn1ccnc1CCCN(C)C(=O)Nc1cn(C)nc1Br ZINC000880057506 662948486 /nfs/dbraw/zinc/94/84/86/662948486.db2.gz RPOFDWXTVSFWDW-UHFFFAOYSA-N 1 0 383.294 2.886 20 0 GFADRO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2CC(=O)Nc1c(F)cc(F)cc1Br ZINC000880133735 662952057 /nfs/dbraw/zinc/95/20/57/662952057.db2.gz JREKYOGJOLVXAV-KBPBESRZSA-N 1 0 388.256 2.834 20 0 GFADRO CN(Cc1cc(Br)cs1)C(=O)C[N@@H+]1CC[C@H](C(C)(C)O)C1 ZINC000880145620 662952589 /nfs/dbraw/zinc/95/25/89/662952589.db2.gz PMCRZNRRCUFRLA-NSHDSACASA-N 1 0 375.332 2.562 20 0 GFADRO O=C(CC[NH+]1CCC2(CC1)COCCO2)Nc1ccc(Br)cc1 ZINC000880542453 662961967 /nfs/dbraw/zinc/96/19/67/662961967.db2.gz CCGBQCXAHMNTTR-UHFFFAOYSA-N 1 0 383.286 2.659 20 0 GFADRO O=C(CC[N@H+]1C[C@H](O)CC2(CCOCC2)C1)Nc1cccc(Br)c1 ZINC000880582281 662963185 /nfs/dbraw/zinc/96/31/85/662963185.db2.gz MLYJYILSRAIZMG-MRXNPFEDSA-N 1 0 397.313 2.641 20 0 GFADRO COCCC[N@H+](C)CCNC(=O)Nc1cc(C(C)=O)ccc1Br ZINC000880808776 662974335 /nfs/dbraw/zinc/97/43/35/662974335.db2.gz JFDPYEHVMPYZJI-UHFFFAOYSA-N 1 0 386.290 2.742 20 0 GFADRO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)Nc1cc(Cl)cc(Cl)c1F ZINC000880891898 662977226 /nfs/dbraw/zinc/97/72/26/662977226.db2.gz RDVOLZIYVQXXCP-UHFFFAOYSA-N 1 0 379.263 2.616 20 0 GFADRO O=C(NCC1SCCS1)Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000881129843 662982188 /nfs/dbraw/zinc/98/21/88/662982188.db2.gz IFPNBSAWWHFORI-MRXNPFEDSA-N 1 0 378.567 2.899 20 0 GFADRO O=C(NCCCC[N@H+]1CCC[C@@H]1CO)Nc1cccc(F)c1Br ZINC000881141548 662983295 /nfs/dbraw/zinc/98/32/95/662983295.db2.gz WZOIOFUMCYDYKW-GFCCVEGCSA-N 1 0 388.281 2.947 20 0 GFADRO O=C(c1ccc(Br)c(F)c1)N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000881472962 662995362 /nfs/dbraw/zinc/99/53/62/662995362.db2.gz WTJMWJPLAVRGTH-CQSZACIVSA-N 1 0 385.277 2.961 20 0 GFADRO C[C@@H]1CN(C(=O)c2nc(Br)ccc2F)CCN1c1cc[nH+]cc1 ZINC000881633142 662998562 /nfs/dbraw/zinc/99/85/62/662998562.db2.gz GUGUEAABUXWISK-LLVKDONJSA-N 1 0 379.233 2.729 20 0 GFADRO O=S(=O)(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1cnc(Cl)cc1C(F)(F)F ZINC000881790424 663003367 /nfs/dbraw/zinc/00/33/67/663003367.db2.gz OCVCMIMONAAQJV-QWRGUYRKSA-N 1 0 383.823 2.659 20 0 GFADRO CC[NH+](CC)[C@H](C)CNc1cnn(CC(F)(F)F)c(=O)c1Br ZINC000881802573 663003884 /nfs/dbraw/zinc/00/38/84/663003884.db2.gz CMPYGEFRBGQGFV-SECBINFHSA-N 1 0 385.228 2.710 20 0 GFADRO C[NH+](C)CCOc1ccccc1CNS(=O)(=O)CC[C@H]1CC1(Cl)Cl ZINC000881840799 663005453 /nfs/dbraw/zinc/00/54/53/663005453.db2.gz CNYUETGBHQIJHF-AWEZNQCLSA-N 1 0 395.352 2.630 20 0 GFADRO CN(c1ccc(OCC[NH+](C)C)cc1)S(=O)(=O)C[C@H]1C(C)(C)C1(F)F ZINC000881879439 663007752 /nfs/dbraw/zinc/00/77/52/663007752.db2.gz FKQDTNMRPBZURF-HNNXBMFYSA-N 1 0 376.469 2.684 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(c2ccc3nnc(Br)n3n2)C1 ZINC000881982647 663012160 /nfs/dbraw/zinc/01/21/60/663012160.db2.gz DKSNYQOYZBHRLY-ZIAGYGMSSA-N 1 0 393.333 2.978 20 0 GFADRO O=C(CSc1nncs1)Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000882391618 663026639 /nfs/dbraw/zinc/02/66/39/663026639.db2.gz CLMQWKQAYMQZDG-OAHLLOKOSA-N 1 0 375.523 2.553 20 0 GFADRO CC1([NH+]2CCC2)CCN(S(=O)(=O)c2cc(F)ccc2OC(F)F)CC1 ZINC000882767275 663041075 /nfs/dbraw/zinc/04/10/75/663041075.db2.gz HWJLGKMPVMNQNY-UHFFFAOYSA-N 1 0 378.416 2.676 20 0 GFADRO CC1([NH+]2CCC2)CCN(S(=O)(=O)c2cc3nc(Cl)ncc3s2)CC1 ZINC000882767303 663041151 /nfs/dbraw/zinc/04/11/51/663041151.db2.gz IYNGLFTZZUPTDP-UHFFFAOYSA-N 1 0 386.930 2.594 20 0 GFADRO CN(CCCC[NH+]1CCCCC1)S(=O)(=O)c1ccc(C(F)(F)F)cn1 ZINC000882798061 663042479 /nfs/dbraw/zinc/04/24/79/663042479.db2.gz OSTGNXCVEBLKAD-UHFFFAOYSA-N 1 0 379.448 2.987 20 0 GFADRO CN(C)S(=O)(=O)CC[NH2+]Cc1cc(F)ccc1Oc1cncc(Cl)c1 ZINC000883123064 663050098 /nfs/dbraw/zinc/05/00/98/663050098.db2.gz JNXQPVPVUICTCP-UHFFFAOYSA-N 1 0 387.864 2.647 20 0 GFADRO COC[C@H]([NH2+]C[C@H](CO)Cc1ccccc1Br)[C@@H]1CCCOC1 ZINC000883219550 663051563 /nfs/dbraw/zinc/05/15/63/663051563.db2.gz VITQCWNFNDVSOR-KYJSFNMBSA-N 1 0 386.330 2.631 20 0 GFADRO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]CC(C)(C)CC(F)F ZINC000883252534 663051970 /nfs/dbraw/zinc/05/19/70/663051970.db2.gz MLJWVVHHOUOLAD-NSHDSACASA-N 1 0 383.892 2.976 20 0 GFADRO COc1ncc([C@@H](C)[NH2+]CC2(S(=O)(=O)NC(C)(C)C)CC2)cc1Cl ZINC000883300646 663052994 /nfs/dbraw/zinc/05/29/94/663052994.db2.gz DCKCRHAQWGVSQG-LLVKDONJSA-N 1 0 375.922 2.645 20 0 GFADRO O=S1(=O)CCC[C@@H]1CC[NH2+][C@H](c1nc(Br)cs1)C1CC1 ZINC000883309547 663053445 /nfs/dbraw/zinc/05/34/45/663053445.db2.gz OTFQCEQKVIDDNB-PWSUYJOCSA-N 1 0 379.345 2.914 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCc2cc(Br)ccc2NC1=O)c1ccc(=O)[nH]n1 ZINC000883377138 663054202 /nfs/dbraw/zinc/05/42/02/663054202.db2.gz ACSJJYLXMTXIDB-LKFCYVNXSA-N 1 0 377.242 2.549 20 0 GFADRO O=C1Nc2ccc(Br)cc2CC[C@@H]1[NH2+]C1CCC2(CC1)OCCO2 ZINC000883377632 663054328 /nfs/dbraw/zinc/05/43/28/663054328.db2.gz MPWVUIHUTNEUGZ-INIZCTEOSA-N 1 0 395.297 2.978 20 0 GFADRO CS(=O)(=O)[C@H]1C[C@H]([NH2+]Cc2cc(Br)ccc2OC(F)F)C1 ZINC000883378523 663054332 /nfs/dbraw/zinc/05/43/32/663054332.db2.gz PHJRMOWOMQSOBC-XYPYZODXSA-N 1 0 384.242 2.716 20 0 GFADRO O=C1Nc2ccc(Br)cc2CC[C@H]1[NH2+]Cc1cnc2n1CCC2 ZINC000883386250 663054558 /nfs/dbraw/zinc/05/45/58/663054558.db2.gz CFTUZVHCUWFMQN-OAHLLOKOSA-N 1 0 375.270 2.635 20 0 GFADRO Cc1cc(Br)c(Cl)cc1S(=O)(=O)N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000883466606 663055555 /nfs/dbraw/zinc/05/55/55/663055555.db2.gz RBWIMRRBHRDYDG-SKDRFNHKSA-N 1 0 381.723 2.769 20 0 GFADRO [NH3+]CCCN(CC(F)(F)F)S(=O)(=O)c1ccc(OCC(F)(F)F)cc1 ZINC000883470274 663055609 /nfs/dbraw/zinc/05/56/09/663055609.db2.gz QBCXCVUDRVYWCD-UHFFFAOYSA-N 1 0 394.337 2.530 20 0 GFADRO [NH3+]Cc1nc2c(s1)CCN(S(=O)(=O)c1ccc(C(F)(F)F)cc1F)C2 ZINC000883480830 663055937 /nfs/dbraw/zinc/05/59/37/663055937.db2.gz OECPYYPEZBIGHQ-UHFFFAOYSA-N 1 0 395.403 2.507 20 0 GFADRO [NH3+]Cc1nc2c(s1)CCN(S(=O)(=O)c1cc(Cl)ccc1Cl)C2 ZINC000883481499 663056095 /nfs/dbraw/zinc/05/60/95/663056095.db2.gz NRNPOWWHTUYITA-UHFFFAOYSA-N 1 0 378.306 2.656 20 0 GFADRO CCC1([NH3+])CCN(S(=O)(=O)c2c(OC)ccc3nc(Cl)ccc32)CC1 ZINC000883484406 663056210 /nfs/dbraw/zinc/05/62/10/663056210.db2.gz PQGQGODPEOFUEG-UHFFFAOYSA-N 1 0 383.901 2.789 20 0 GFADRO CNC(=O)c1cccc(NC(=O)N2CC[NH2+]CCC23CCC3)c1Br ZINC000883564422 663057173 /nfs/dbraw/zinc/05/71/73/663057173.db2.gz QUQIQTJLQCCCHL-UHFFFAOYSA-N 1 0 395.301 2.559 20 0 GFADRO Cc1noc([C@@H]2CCCN(C(=O)[C@H]([NH3+])c3ccc(Br)cc3)C2)n1 ZINC000884007106 663063872 /nfs/dbraw/zinc/06/38/72/663063872.db2.gz PIKPBHYREKXPLK-TZMCWYRMSA-N 1 0 379.258 2.547 20 0 GFADRO CCCC(=O)NC[C@H]1CCCN(C(=O)[C@@H]([NH3+])c2ccc(Br)cc2)C1 ZINC000884114100 663065410 /nfs/dbraw/zinc/06/54/10/663065410.db2.gz IHJCHCNINDOMQP-DYVFJYSZSA-N 1 0 396.329 2.604 20 0 GFADRO [NH3+][C@@H](C(=O)Nc1cc(C2CCOCC2)[nH]n1)c1ccc(Br)cc1 ZINC000884156820 663066145 /nfs/dbraw/zinc/06/61/45/663066145.db2.gz MMTGTSYCIVAWSE-OAHLLOKOSA-N 1 0 379.258 2.705 20 0 GFADRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)COCCc3ccc(Br)cc3)C[C@H]21 ZINC000884248527 663067672 /nfs/dbraw/zinc/06/76/72/663067672.db2.gz TVPCYGBHJCDBAB-USXIJHARSA-N 1 0 381.314 2.594 20 0 GFADRO CC(C)(Cc1ccc(Br)cc1)C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000884285716 663068206 /nfs/dbraw/zinc/06/82/06/663068206.db2.gz POWMTTVSYSKWFM-KRWDZBQOSA-N 1 0 394.357 2.524 20 0 GFADRO O=C(c1ccc(OC(F)F)c(Br)c1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000884293364 663068296 /nfs/dbraw/zinc/06/82/96/663068296.db2.gz BICAQRBPUMZTQH-JQWIXIFHSA-N 1 0 375.213 2.875 20 0 GFADRO [NH3+][C@H](C(=O)N1CCC([C@H](O)C(F)(F)F)CC1)c1ccc(Br)cc1 ZINC000884378568 663069875 /nfs/dbraw/zinc/06/98/75/663069875.db2.gz WOXNPDORCZZBLC-STQMWFEESA-N 1 0 395.219 2.611 20 0 GFADRO O=S(=O)(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1c(F)cccc1OC(F)(F)F ZINC000884956739 663079545 /nfs/dbraw/zinc/07/95/45/663079545.db2.gz FGMJVFUQWZHSOR-WDEREUQCSA-N 1 0 382.379 2.629 20 0 GFADRO C[C@H](C(=O)NC[C@@H]1CC[N@@H+]1C1CCOCC1)c1ccc(Br)s1 ZINC000885873204 663099724 /nfs/dbraw/zinc/09/97/24/663099724.db2.gz PJGGYQNJMFVHDA-AAEUAGOBSA-N 1 0 387.343 2.984 20 0 GFADRO OC[C@H](C[NH2+][C@@H]1CCOC2(CCOCC2)C1)Cc1cccc(Br)c1 ZINC000886091446 663103070 /nfs/dbraw/zinc/10/30/70/663103070.db2.gz ADAJLXJQTYMMNJ-FUHWJXTLSA-N 1 0 398.341 2.918 20 0 GFADRO COc1ccc(C[C@@H](CO)C[NH2+]Cc2[nH]nc(C)c2C)cc1Br ZINC000886135921 663103669 /nfs/dbraw/zinc/10/36/69/663103669.db2.gz AECPROJTHDSGLH-CQSZACIVSA-N 1 0 382.302 2.738 20 0 GFADRO O[C@@H](C[NH2+]Cc1cc(Br)c(Br)s1)[C@H]1CCCO1 ZINC000886168368 663104040 /nfs/dbraw/zinc/10/40/40/663104040.db2.gz OKRXAPYMUDGKST-VHSXEESVSA-N 1 0 385.121 2.903 20 0 GFADRO Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1C[NH2+]CCN1CCNC1=O ZINC000886324578 663108139 /nfs/dbraw/zinc/10/81/39/663108139.db2.gz ZHQFRWGUTHEMKN-UHFFFAOYSA-N 1 0 382.295 2.661 20 0 GFADRO COC(=O)[C@H]1CC[C@@H]([NH2+]Cc2cc(C(F)(F)F)cc(S(C)(=O)=O)c2)C1 ZINC000886606584 663114598 /nfs/dbraw/zinc/11/45/98/663114598.db2.gz BLOMHQYLSGIWEC-WCQYABFASA-N 1 0 379.400 2.540 20 0 GFADRO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@@H](CO)C[C@H]1CCCO1 ZINC000886666420 663115307 /nfs/dbraw/zinc/11/53/07/663115307.db2.gz SLKXPIAIFLKMKU-DAXOMENPSA-N 1 0 385.302 2.686 20 0 GFADRO COc1ccc([C@H](C)[NH2+]CC2(S(=O)(=O)N(C)C)CC2)c(Br)c1 ZINC000886734676 663116413 /nfs/dbraw/zinc/11/64/13/663116413.db2.gz MTDJFCYKDFSMJZ-NSHDSACASA-N 1 0 391.331 2.532 20 0 GFADRO Cc1cc(Br)ccc1CS(=O)(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000886882412 663123314 /nfs/dbraw/zinc/12/33/14/663123314.db2.gz QAYZSVZSSDQHSG-LBPRGKRZSA-N 1 0 375.332 2.647 20 0 GFADRO O=S(=O)(/C=C/c1ccccc1Br)NC[C@H]1C[NH2+]CCC1(F)F ZINC000886896553 663123916 /nfs/dbraw/zinc/12/39/16/663123916.db2.gz NFFVVWYKWUJGPG-FZKGZDJFSA-N 1 0 395.269 2.584 20 0 GFADRO COC[C@H]([NH2+]CC(=O)N(C)Cc1ccc(Cl)c(Cl)c1)[C@@H]1CCCOC1 ZINC000886903624 663124350 /nfs/dbraw/zinc/12/43/50/663124350.db2.gz CVKDFRMNPLANCW-PBHICJAKSA-N 1 0 389.323 2.983 20 0 GFADRO COC[C@H]([NH2+]CCS(=O)(=O)c1cc(Cl)ccc1Cl)[C@@H]1CCCOC1 ZINC000886903842 663124355 /nfs/dbraw/zinc/12/43/55/663124355.db2.gz JOFCBEKUHRJXOW-DOMZBBRYSA-N 1 0 396.336 2.798 20 0 GFADRO COC[C@@H]([NH2+]CC(=O)N(C)Cc1cc(Cl)cc(Cl)c1)[C@@H]1CCCOC1 ZINC000886910843 663124604 /nfs/dbraw/zinc/12/46/04/663124604.db2.gz WPKMJSZFWJCPMD-RHSMWYFYSA-N 1 0 389.323 2.983 20 0 GFADRO O=C(NC[C@H]1C[NH2+]CCC1(F)F)Nc1cccc(I)c1 ZINC000886926352 663125112 /nfs/dbraw/zinc/12/51/12/663125112.db2.gz KELLRTVNOYCQPA-SECBINFHSA-N 1 0 395.191 2.658 20 0 GFADRO COC(=O)c1cc(NC(=O)NC[C@H]2C[NH2+]CCC2(F)F)cc(Cl)c1F ZINC000886949037 663126018 /nfs/dbraw/zinc/12/60/18/663126018.db2.gz XXMUAHBMYVIVQV-MRVPVSSYSA-N 1 0 379.766 2.632 20 0 GFADRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)Nc1cc(Br)c2ccccc2c1 ZINC000886983892 663127351 /nfs/dbraw/zinc/12/73/51/663127351.db2.gz KWVOFTYNXVHBLP-GHMZBOCLSA-N 1 0 378.270 2.783 20 0 GFADRO Cc1sc(C[C@H](C)n2cc(Cl)cn2)nc1-c1cn(CC2C[NH2+]C2)nn1 ZINC000887446743 663146799 /nfs/dbraw/zinc/14/67/99/663146799.db2.gz JHLNKMMNQNKBKM-JTQLQIEISA-N 1 0 377.905 2.583 20 0 GFADRO C[C@@H]1CO[C@H](C(=O)Nc2cc(Br)ccc2N2CC[NH+](C)CC2)C1 ZINC000887743947 663159987 /nfs/dbraw/zinc/15/99/87/663159987.db2.gz MNCLSHXDRQAHED-LRDDRELGSA-N 1 0 382.302 2.564 20 0 GFADRO COC(=O)c1cc(NC(=O)NC[C@@H](C)C[NH+](C)C)c(Br)cc1F ZINC000887820187 663163530 /nfs/dbraw/zinc/16/35/30/663163530.db2.gz BTLUCBVMLPJVHI-SECBINFHSA-N 1 0 390.253 2.694 20 0 GFADRO Cc1c(Br)cncc1NC(=O)[C@H]1CC[N@@H+](C)C[C@H]1c1cnn(C)c1 ZINC000888902686 663224436 /nfs/dbraw/zinc/22/44/36/663224436.db2.gz ZUILQBNYDZONIB-KBPBESRZSA-N 1 0 392.301 2.560 20 0 GFADRO C[C@@H](CNC(=O)c1nn2c(c1Br)CCC2)[N@H+](C)Cc1ccccc1 ZINC000888909392 663224900 /nfs/dbraw/zinc/22/49/00/663224900.db2.gz GQWYLWLWPDJVAQ-ZDUSSCGKSA-N 1 0 391.313 2.842 20 0 GFADRO CN1CCN(C(=O)c2ccc3cc(Br)ccc3c2)CC[N@H+](C)CC1 ZINC000888989682 663228549 /nfs/dbraw/zinc/22/85/49/663228549.db2.gz VPQBBUCZDDIMGS-UHFFFAOYSA-N 1 0 390.325 2.922 20 0 GFADRO CSc1ccc([C@@H](CNC(=O)N[C@@H](CCO)C(F)(F)F)[NH+](C)C)cc1 ZINC000889110430 663232440 /nfs/dbraw/zinc/23/24/40/663232440.db2.gz VUYUEMXETIQEJU-KGLIPLIRSA-N 1 0 379.448 2.624 20 0 GFADRO C[NH+]1CCC2(CCN2C(=O)C[C@@H]2C(=O)Nc3ccc(Br)cc32)CC1 ZINC000889218062 663237648 /nfs/dbraw/zinc/23/76/48/663237648.db2.gz MNSFHAUFLGKZBA-AWEZNQCLSA-N 1 0 392.297 2.572 20 0 GFADRO O=C(NCc1ncc(Br)cn1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000889717348 663259166 /nfs/dbraw/zinc/25/91/66/663259166.db2.gz COYZUDPHBPOUGV-UHFFFAOYSA-N 1 0 389.297 2.768 20 0 GFADRO O=C(C/C=C/c1ccc(Br)cc1)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000889740123 663262029 /nfs/dbraw/zinc/26/20/29/663262029.db2.gz UQAHZQYKHYTZOZ-ZVBIZFFVSA-N 1 0 393.325 2.910 20 0 GFADRO C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000889745680 663262389 /nfs/dbraw/zinc/26/23/89/663262389.db2.gz YBNMMDNRBIJXFA-MAZHCROVSA-N 1 0 387.307 2.818 20 0 GFADRO O=C(c1c(Cl)cccc1Br)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000889750962 663262989 /nfs/dbraw/zinc/26/29/89/663262989.db2.gz RCIKRFOIMYMPIX-ZIAGYGMSSA-N 1 0 387.705 2.774 20 0 GFADRO Cc1c(Br)ccc(C(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)c1F ZINC000889755416 663263702 /nfs/dbraw/zinc/26/37/02/663263702.db2.gz IBOPIZJKSANHTM-CABCVRRESA-N 1 0 385.277 2.568 20 0 GFADRO O=C(c1cc2cc(Br)sc2[nH]1)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000889773242 663265670 /nfs/dbraw/zinc/26/56/70/663265670.db2.gz HMZLPYKQLGQRRD-OLZOCXBDSA-N 1 0 398.326 2.663 20 0 GFADRO O=C(N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO)C1(c2ccc(Br)cc2)CC1 ZINC000889776279 663266169 /nfs/dbraw/zinc/26/61/69/663266169.db2.gz RAUNWNJZOYIPKL-IRXDYDNUSA-N 1 0 393.325 2.538 20 0 GFADRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)C(=O)Nc2cccc(F)c2Br)C1 ZINC000889997221 663280143 /nfs/dbraw/zinc/28/01/43/663280143.db2.gz JLGQJVBKMJGOJB-MNOVXSKESA-N 1 0 386.265 2.516 20 0 GFADRO CC[NH+]1CCN(c2cccc(NC(=O)c3cn(C)nc3Br)c2)CC1 ZINC000890008373 663280600 /nfs/dbraw/zinc/28/06/00/663280600.db2.gz TWBXQLDBJCIHCO-UHFFFAOYSA-N 1 0 392.301 2.577 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)C(=O)Nc1cccc(F)c1Br ZINC000890364473 663297587 /nfs/dbraw/zinc/29/75/87/663297587.db2.gz AHVUMBTVMZLVLT-JTQLQIEISA-N 1 0 386.265 2.516 20 0 GFADRO COC(=O)c1cc(Br)c(OC)cc1NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000890942035 663318014 /nfs/dbraw/zinc/31/80/14/663318014.db2.gz NXDNNGMUHYRVFK-QWRGUYRKSA-N 1 0 399.285 2.913 20 0 GFADRO O=C(NCc1cc(Br)ccc1F)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000891362633 663337319 /nfs/dbraw/zinc/33/73/19/663337319.db2.gz BFYMUPJOAZVRES-JTQLQIEISA-N 1 0 380.208 2.632 20 0 GFADRO CCN(C(=O)N[C@@H](C)c1cc2c(cc1Br)OCCO2)[C@H]1CC[NH2+]C1 ZINC000891393553 663338082 /nfs/dbraw/zinc/33/80/82/663338082.db2.gz AANJAMPIZYKTIA-RYUDHWBXSA-N 1 0 398.301 2.675 20 0 GFADRO Cc1cc(Br)ccc1CNC(=O)N1CCc2sc(C[NH3+])nc2C1 ZINC000891537396 663342958 /nfs/dbraw/zinc/34/29/58/663342958.db2.gz BRUNEDULNCAACI-UHFFFAOYSA-N 1 0 395.326 2.941 20 0 GFADRO CO[C@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)NC[C@H]1C[NH2+]CCC1(F)F ZINC000891574422 663344390 /nfs/dbraw/zinc/34/43/90/663344390.db2.gz FXDMKHMOYHXYEF-KYOSRNDESA-N 1 0 375.847 2.960 20 0 GFADRO CO[C@H](CNC(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1)c1cccc(Cl)c1 ZINC000891617524 663345534 /nfs/dbraw/zinc/34/55/34/663345534.db2.gz URUKNBGNPGVRQP-FPMFFAJLSA-N 1 0 379.810 2.806 20 0 GFADRO [NH3+]CCN(Cc1cccc(Cl)c1)C(=O)N[C@H]1CCO[C@]2(CCSC2)C1 ZINC000891696959 663347663 /nfs/dbraw/zinc/34/76/63/663347663.db2.gz OSHLBZIUBXVBAK-FUHWJXTLSA-N 1 0 383.945 2.865 20 0 GFADRO COCCC1(NC(=O)NCc2cc(Br)ccc2C)CC[NH2+]CC1 ZINC000891831395 663352082 /nfs/dbraw/zinc/35/20/82/663352082.db2.gz JCCQOVNCFCJHHW-UHFFFAOYSA-N 1 0 384.318 2.715 20 0 GFADRO CC(C)([NH3+])CCNC(=O)NCc1cnn(-c2ccc(Br)cc2)c1 ZINC000891857280 663353167 /nfs/dbraw/zinc/35/31/67/663353167.db2.gz AJUSTEKGXIYREO-UHFFFAOYSA-N 1 0 380.290 2.561 20 0 GFADRO COC[C@H](NC(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1)c1cccc(Cl)c1 ZINC000891900762 663354755 /nfs/dbraw/zinc/35/47/55/663354755.db2.gz BGJSBODRLKHQOE-UBHSHLNASA-N 1 0 379.810 2.806 20 0 GFADRO COC[C@H](NC(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1)c1cccc(Br)c1 ZINC000891981513 663357412 /nfs/dbraw/zinc/35/74/12/663357412.db2.gz LMQGKSAZVWMLMO-NOLJZWGESA-N 1 0 384.318 2.824 20 0 GFADRO C[C@H](CC[NH3+])NC(=O)N1CC2(CCOCC2)c2ccc(Br)cc21 ZINC000892055924 663360789 /nfs/dbraw/zinc/36/07/89/663360789.db2.gz MVEWPHAQQFEXJS-GFCCVEGCSA-N 1 0 382.302 2.764 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)N(C)C[C@H](O)COc2cc(Cl)cc(Cl)c2)CC[NH2+]1 ZINC000892094759 663361482 /nfs/dbraw/zinc/36/14/82/663361482.db2.gz CDQNYGSMMZTLLE-DFBGVHRSSA-N 1 0 390.311 2.515 20 0 GFADRO O=C(N[C@H]1[C@@H]2Cc3cc(Br)ccc3[C@@H]21)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000892191724 663365461 /nfs/dbraw/zinc/36/54/61/663365461.db2.gz QIWQNAOMNIKWPD-TXMMNTKWSA-N 1 0 390.325 2.775 20 0 GFADRO Cc1cc(N)nc(N2CCC(C(=O)Nc3cccc(Br)c3)CC2)[nH+]1 ZINC000892247561 663367188 /nfs/dbraw/zinc/36/71/88/663367188.db2.gz ZOUYUJSHIJTTIW-UHFFFAOYSA-N 1 0 390.285 2.985 20 0 GFADRO O=C(N[C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000892322299 663369238 /nfs/dbraw/zinc/36/92/38/663369238.db2.gz KGSKNEPLTLGGIM-XZKMEQPCSA-N 1 0 390.325 2.872 20 0 GFADRO [NH3+]CC[C@@H]1CCCN(C(=O)N[C@@H]2[C@@H]3Cc4c(cccc4Br)[C@@H]32)C1 ZINC000892322895 663369360 /nfs/dbraw/zinc/36/93/60/663369360.db2.gz QBRJGGCJWYMNQK-WGHIXYSZSA-N 1 0 378.314 2.858 20 0 GFADRO CC(C)(C)CC[C@@H](C[NH2+]C[C@@H]1CCS(=O)(=O)C1)NC(=O)OC(C)(C)C ZINC000892505863 663376087 /nfs/dbraw/zinc/37/60/87/663376087.db2.gz MSKRUVPCPYJKCV-GJZGRUSLSA-N 1 0 376.563 2.730 20 0 GFADRO C[NH2+]CCOCCN(C)C(=O)NCCc1cc(Cl)cc(Br)c1 ZINC000892839550 663386361 /nfs/dbraw/zinc/38/63/61/663386361.db2.gz GEJWWOWKPGHVNA-UHFFFAOYSA-N 1 0 392.725 2.522 20 0 GFADRO C[C@H]([NH2+]C[C@H]1C[C@@]1(C)Br)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000892858006 663386930 /nfs/dbraw/zinc/38/69/30/663386930.db2.gz MWVULEQZXZGNHM-NJZAAPMLSA-N 1 0 375.332 2.761 20 0 GFADRO CC(C)NS(=O)(=O)Cc1ccc(C[NH2+]C[C@@H]2C[C@]2(C)Br)cc1 ZINC000892930383 663389985 /nfs/dbraw/zinc/38/99/85/663389985.db2.gz VPEQGEDMUPEAIT-HOTGVXAUSA-N 1 0 389.359 2.778 20 0 GFADRO CC(C)NS(=O)(=O)Cc1ccc(C[NH2+]C[C@@H]2C[C@@]2(C)Br)cc1 ZINC000892930385 663390081 /nfs/dbraw/zinc/39/00/81/663390081.db2.gz VPEQGEDMUPEAIT-JKSUJKDBSA-N 1 0 389.359 2.778 20 0 GFADRO Cc1c(Br)cc(C(=O)N2[C@H](C)CCC[C@@H]2CC[NH+](C)C)c(=O)n1C ZINC000893015757 663393120 /nfs/dbraw/zinc/39/31/20/663393120.db2.gz SQXWYLDHTSFXHK-TZMCWYRMSA-N 1 0 398.345 2.791 20 0 GFADRO Cc1[nH+]ccc(N[C@H]2CCCN(Cc3ccccn3)C2=O)c1Br ZINC000893134012 663397897 /nfs/dbraw/zinc/39/78/97/663397897.db2.gz FCABGWBHCYEDIT-HNNXBMFYSA-N 1 0 375.270 2.573 20 0 GFADRO CSC1(CNc2ccc(S(=O)(=O)N(C)C(C)C)cc2)CC[NH+](C)CC1 ZINC000893911502 663431234 /nfs/dbraw/zinc/43/12/34/663431234.db2.gz PZBCCZBDQXELFH-UHFFFAOYSA-N 1 0 385.599 2.955 20 0 GFADRO CC[NH+](CC)CC1CCN(Cc2cn(C)nc2I)CC1 ZINC000893940895 663432550 /nfs/dbraw/zinc/43/25/50/663432550.db2.gz SOUZWZVUASNHON-UHFFFAOYSA-N 1 0 390.313 2.579 20 0 GFADRO CCOC1CC(C[NH2+]Cc2csc(C(F)(F)F)n2)(N2CCOCC2)C1 ZINC000894057530 663440062 /nfs/dbraw/zinc/44/00/62/663440062.db2.gz XSRCDPKNJXGGFL-UHFFFAOYSA-N 1 0 379.448 2.521 20 0 GFADRO Cn1nc(Br)nc1CNC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000894208586 663448685 /nfs/dbraw/zinc/44/86/85/663448685.db2.gz JOVOHACQLABBPE-OAHLLOKOSA-N 1 0 378.318 2.722 20 0 GFADRO Cc1cc(F)ccc1N1CCC[C@@H]([NH2+]Cc2nc(Br)nn2C)C1 ZINC000894262210 663451863 /nfs/dbraw/zinc/45/18/63/663451863.db2.gz XOCHXJNGOOZTKB-CYBMUJFWSA-N 1 0 382.281 2.784 20 0 GFADRO C[C@@H]1C[C@H]([NH2+]Cc2cc3ccnc(Cl)c3s2)C(=O)N1c1cnn(C)c1 ZINC000894312750 663453595 /nfs/dbraw/zinc/45/35/95/663453595.db2.gz MXSIDUWYLXXANP-YGRLFVJLSA-N 1 0 375.885 2.967 20 0 GFADRO COC(=O)c1sccc1C[NH2+]C1CCN(C(=O)c2cc(Cl)c[nH]2)CC1 ZINC000894425384 663461092 /nfs/dbraw/zinc/46/10/92/663461092.db2.gz KSMJBYGHZQHGDX-UHFFFAOYSA-N 1 0 381.885 2.911 20 0 GFADRO OC[C@H]([NH2+][C@H]1CCC2(C[C@@H]1F)OCCO2)c1ccc(Br)c(F)c1 ZINC000894593913 663470403 /nfs/dbraw/zinc/47/04/03/663470403.db2.gz OOOJOGLGVSHUDO-KKUMJFAQSA-N 1 0 392.240 2.845 20 0 GFADRO OCC[C@@H](Cc1ccccc1)[NH2+]Cc1sc(N2CCOCC2)nc1Cl ZINC000894662440 663475185 /nfs/dbraw/zinc/47/51/85/663475185.db2.gz IIUUYGSYRLXLAD-HNNXBMFYSA-N 1 0 381.929 2.716 20 0 GFADRO O=C(N1C[C@@H]2CC[N@H+](Cc3c(Cl)n[nH]c3C3CC3)C[C@@H]2C1)C(F)(F)F ZINC000894722100 663477472 /nfs/dbraw/zinc/47/74/72/663477472.db2.gz IAXXQXVGEORFLC-WDEREUQCSA-N 1 0 376.810 2.783 20 0 GFADRO C[C@H]([NH2+][C@H]1CCc2c1ccc(F)c2Br)[C@@H]1CCS(=O)(=O)C1 ZINC000894738783 663478154 /nfs/dbraw/zinc/47/81/54/663478154.db2.gz UTVNHIQYUPFSOS-RBZYPMLTSA-N 1 0 376.291 2.988 20 0 GFADRO Cc1ccc([C@H](O)[C@@H](C)[NH2+]Cc2c(I)cnn2C)cc1 ZINC000894746987 663479035 /nfs/dbraw/zinc/47/90/35/663479035.db2.gz ABDABXPBBQJHFK-IAQYHMDHSA-N 1 0 385.249 2.545 20 0 GFADRO CN(Cc1c(I)cnn1C)Cc1ccc(C[NH+](C)C)cc1 ZINC000894764237 663480409 /nfs/dbraw/zinc/48/04/09/663480409.db2.gz FOJHCUOEWUGQAK-UHFFFAOYSA-N 1 0 398.292 2.718 20 0 GFADRO CC[C@@H](C)[NH2+][C@H](CNC(=O)NCc1ncc(Br)cn1)c1ccco1 ZINC000894763746 663480415 /nfs/dbraw/zinc/48/04/15/663480415.db2.gz BCIGSOFVVIHJLF-DGCLKSJQSA-N 1 0 396.289 2.761 20 0 GFADRO Cn1nc(Br)nc1CN(Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000894781908 663481464 /nfs/dbraw/zinc/48/14/64/663481464.db2.gz IFQSGZZHMUPKKJ-UHFFFAOYSA-N 1 0 378.318 2.674 20 0 GFADRO Cn1ncc(I)c1C[NH2+][C@H]1CCC[C@H]1Cc1ccccn1 ZINC000895277824 663506491 /nfs/dbraw/zinc/50/64/91/663506491.db2.gz CEVHSDUCPSBAJI-WFASDCNBSA-N 1 0 396.276 2.921 20 0 GFADRO Cn1nc(Br)nc1C[NH2+][C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1 ZINC000895444747 663514494 /nfs/dbraw/zinc/51/44/94/663514494.db2.gz OZKJAUPHPZTJOZ-XYPYZODXSA-N 1 0 388.310 2.503 20 0 GFADRO Cn1ncc(I)c1C[NH2+]C1CC(Nc2ccccc2)C1 ZINC000895477152 663516578 /nfs/dbraw/zinc/51/65/78/663516578.db2.gz QGFKLRBJPBRRIN-UHFFFAOYSA-N 1 0 382.249 2.757 20 0 GFADRO Cn1cc(C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)c(Br)n1 ZINC000895696377 663523666 /nfs/dbraw/zinc/52/36/66/663523666.db2.gz BNLQMJVCSJABHF-AWEZNQCLSA-N 1 0 377.286 2.577 20 0 GFADRO COc1ncc(Br)cc1CNC(=O)N1CCC([NH2+]C2CCC2)CC1 ZINC000895983007 663536010 /nfs/dbraw/zinc/53/60/10/663536010.db2.gz HCNZWPBQTWCFKC-UHFFFAOYSA-N 1 0 397.317 2.669 20 0 GFADRO C[C@H](NC(=O)c1cccc2cccc(Br)c21)[C@@H]1C[N@H+](C)CCN1C ZINC000896539692 663562168 /nfs/dbraw/zinc/56/21/68/663562168.db2.gz AGRGIYGTOXAKOV-GUYCJALGSA-N 1 0 390.325 2.966 20 0 GFADRO C[C@@H](NC(=O)c1cc(Cl)cc(F)c1Br)[C@@H]1C[N@H+](C)CCN1C ZINC000896542957 663562431 /nfs/dbraw/zinc/56/24/31/663562431.db2.gz UUBBFCSYEAFXDN-RNCFNFMXSA-N 1 0 392.700 2.606 20 0 GFADRO C[C@@H](NC(=O)c1cc(Cl)c(F)cc1Br)[C@H]1C[N@H+](C)CCN1C ZINC000896540170 663562711 /nfs/dbraw/zinc/56/27/11/663562711.db2.gz VEIVOZUPMJBYOF-YMTOWFKASA-N 1 0 392.700 2.606 20 0 GFADRO C[C@H](NC(=O)COc1cc(Cl)c(Cl)cc1Cl)[C@H]1C[N@H+](C)CCN1C ZINC000896582753 663566462 /nfs/dbraw/zinc/56/64/62/663566462.db2.gz UAHSCFZBAPOBRW-IINYFYTJSA-N 1 0 394.730 2.776 20 0 GFADRO CC(C)[C@@H](CNC(=O)c1cc2c(cncc2Cl)s1)N1CC[NH+](C)CC1 ZINC000896708376 663573001 /nfs/dbraw/zinc/57/30/01/663573001.db2.gz QIDHFXXKRIGMKU-OAHLLOKOSA-N 1 0 380.945 2.952 20 0 GFADRO CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)/C=C\C=C(Cl)Cl)CC1 ZINC000896878196 663580340 /nfs/dbraw/zinc/58/03/40/663580340.db2.gz VZTXGXBBGPVDOF-XQRVVYSFSA-N 1 0 376.328 2.605 20 0 GFADRO CCc1noc([C@H]2CC[C@@H]([NH2+]Cc3cnn4cc(Br)cnc34)C2)n1 ZINC000897046458 663588386 /nfs/dbraw/zinc/58/83/86/663588386.db2.gz ZLPXENWZYWNTKU-GXFFZTMASA-N 1 0 391.273 2.863 20 0 GFADRO N=[S@](=O)(c1ccc(N2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)cc1)C(F)(F)F ZINC000897219767 663595099 /nfs/dbraw/zinc/59/50/99/663595099.db2.gz OBJNGGGEPCBNQU-XHQUFGICSA-N 1 0 377.432 2.647 20 0 GFADRO CS[C@H]1CN(C(=O)Cc2sc(CC(F)(F)F)nc2C)C[C@H]1[NH+](C)C ZINC000897238362 663596307 /nfs/dbraw/zinc/59/63/07/663596307.db2.gz XMQFUIOMGSEASG-PWSUYJOCSA-N 1 0 381.489 2.603 20 0 GFADRO CC[C@@H]1C[C@@H](C[N@@H+]2CCn3ncc(I)c3C2)CCO1 ZINC000897289472 663598850 /nfs/dbraw/zinc/59/88/50/663598850.db2.gz YUULLEAZJOTEHG-NWDGAFQWSA-N 1 0 375.254 2.509 20 0 GFADRO CO[C@]1(C(=O)NC[C@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)CCSC1 ZINC000897416058 663605033 /nfs/dbraw/zinc/60/50/33/663605033.db2.gz PBOGHDXNQNVUQM-GDBMZVCRSA-N 1 0 376.444 2.946 20 0 GFADRO C[C@H](C[NH2+]C1CCC2(CC1)NC(=O)NC2=O)c1ccc(Br)cc1 ZINC000897470372 663606861 /nfs/dbraw/zinc/60/68/61/663606861.db2.gz CZYKUFRAPAHBMK-ACCOQDJYSA-N 1 0 380.286 2.663 20 0 GFADRO O=C(NCC[C@@H](O)c1ccc(Cl)c(Cl)c1)C1C[NH+](C2CCOCC2)C1 ZINC000897569740 663611597 /nfs/dbraw/zinc/61/15/97/663611597.db2.gz KHKRBSSWAKSLFJ-QGZVFWFLSA-N 1 0 387.307 2.644 20 0 GFADRO C[NH+](C)C[C@@]1(O)CCCN(C(=O)CCCc2ccc(Br)cc2)C1 ZINC000897585773 663612519 /nfs/dbraw/zinc/61/25/19/663612519.db2.gz WFRMPRRCRJWDQB-SFHVURJKSA-N 1 0 383.330 2.687 20 0 GFADRO CC(C)(C)N1CC[C@H]1C(=O)NCc1noc(-c2cccc(Br)c2)n1 ZINC000897609405 663613523 /nfs/dbraw/zinc/61/35/23/663613523.db2.gz DNVKMIGKMVLTAB-ZDUSSCGKSA-N 1 0 393.285 2.988 20 0 GFADRO O=C(Nc1ccc(OCC(F)(F)F)c(Cl)c1)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000897674545 663615263 /nfs/dbraw/zinc/61/52/63/663615263.db2.gz ZCKBVTIZVOONFC-GFCCVEGCSA-N 1 0 378.778 2.940 20 0 GFADRO CCOC(=O)C1([C@H](C)[NH2+]Cc2nccc(C)c2Br)CCOCC1 ZINC000897737792 663617927 /nfs/dbraw/zinc/61/79/27/663617927.db2.gz UPCPMSMEIQKZDA-ZDUSSCGKSA-N 1 0 385.302 2.991 20 0 GFADRO OC[C@@H]1COc2ccccc2[C@@H]1[NH2+]Cc1cnc2ccc(Br)cn12 ZINC000897950382 663626898 /nfs/dbraw/zinc/62/68/98/663626898.db2.gz DMLNCTGPFGVPHF-KZULUSFZSA-N 1 0 388.265 2.929 20 0 GFADRO CO[C@H]1C[C@H]2C[C@@H]([NH2+][C@H]3Cc4cc(Br)cnc4NC3=O)C[C@H]2C1 ZINC000897977365 663627701 /nfs/dbraw/zinc/62/77/01/663627701.db2.gz DYZJIOBYCHOXHQ-VRLGFQJGSA-N 1 0 380.286 2.501 20 0 GFADRO O=C1Nc2ncc(Br)cc2C[C@@H]1[NH2+][C@@H]1CC[C@H]2COCC[C@@H]2C1 ZINC000897977666 663628075 /nfs/dbraw/zinc/62/80/75/663628075.db2.gz HHESEZINXGGXNC-BVIHXZOGSA-N 1 0 380.286 2.502 20 0 GFADRO CCOc1cc(C[NH2+][C@@H]2CCOC23CCOCC3)cc(Br)c1O ZINC000898114592 663634208 /nfs/dbraw/zinc/63/42/08/663634208.db2.gz FRGZDLUTZSFBBQ-OAHLLOKOSA-N 1 0 386.286 2.981 20 0 GFADRO O=c1cc(N2CC[C@@H]([NH2+][C@@H]3CCc4c3cccc4Br)C2)nc[nH]1 ZINC000898152347 663635955 /nfs/dbraw/zinc/63/59/55/663635955.db2.gz GLVFPSJYORYSHJ-IAQYHMDHSA-N 1 0 375.270 2.801 20 0 GFADRO CCCOc1ccc(Br)cc1C[NH2+]CCCn1ccc(=O)[nH]c1=O ZINC000898334506 663644127 /nfs/dbraw/zinc/64/41/27/663644127.db2.gz KLOXGNJYVCALOJ-UHFFFAOYSA-N 1 0 396.285 2.680 20 0 GFADRO CCN(CC)c1ncc(C[NH+]2CCC(CN=[S@@](C)(=O)N(C)C)CC2)s1 ZINC000898398127 663648173 /nfs/dbraw/zinc/64/81/73/663648173.db2.gz CHSFWORUGWNMEM-RUZDIDTESA-N 1 0 387.619 2.776 20 0 GFADRO CCOP(=O)(CCC[NH+]1CCC(CN=[S@](C)(=O)N(C)C)CC1)OCC ZINC000898399499 663648317 /nfs/dbraw/zinc/64/83/17/663648317.db2.gz QVXMSIBXZDRVDC-VWLOTQADSA-N 1 0 397.522 2.929 20 0 GFADRO COc1ccc(Br)c2[nH]c(C(=O)N3CC([NH+]4CCCC4)C3)cc21 ZINC000898613751 663658111 /nfs/dbraw/zinc/65/81/11/663658111.db2.gz CZWJPYXYWBKHEO-UHFFFAOYSA-N 1 0 378.270 2.859 20 0 GFADRO COCCOc1ccc(C[NH2+][C@@H]2CCc3ncc(Br)n3C2)cc1 ZINC000898725657 663661545 /nfs/dbraw/zinc/66/15/45/663661545.db2.gz URZRYZAMRXVSBA-CQSZACIVSA-N 1 0 380.286 2.775 20 0 GFADRO COc1ccc(C(=O)NCC(C)(C)n2ccnc2)c(I)c1 ZINC000898904813 663668982 /nfs/dbraw/zinc/66/89/82/663668982.db2.gz KFMYIKUVYRFCFK-UHFFFAOYSA-N 1 0 399.232 2.661 20 0 GFADRO C[NH+](C)CC1(C(=O)NCc2ccn(-c3ccc(Br)cc3)n2)CC1 ZINC000899461399 663689349 /nfs/dbraw/zinc/68/93/49/663689349.db2.gz QCBUMXBCSGRLOX-UHFFFAOYSA-N 1 0 377.286 2.593 20 0 GFADRO CCC1([NH+]2CCC2)CCN(C(=O)COc2ccc(Br)cn2)CC1 ZINC000899554030 663693502 /nfs/dbraw/zinc/69/35/02/663693502.db2.gz UEJXNMQZJKXVGR-UHFFFAOYSA-N 1 0 382.302 2.700 20 0 GFADRO Cc1cccc(CN2C(=O)N[C@@]3(CCCC[C@H]3C[NH3+])C2=O)c1Br ZINC000899633048 663696638 /nfs/dbraw/zinc/69/66/38/663696638.db2.gz LORNKGROHNBZED-SUMWQHHRSA-N 1 0 380.286 2.697 20 0 GFADRO C[C@H](c1ccccc1Br)n1cc(CNC2CC[NH+](C)CC2)nn1 ZINC000899731122 663699586 /nfs/dbraw/zinc/69/95/86/663699586.db2.gz SBFRCQRTIWLHAN-CYBMUJFWSA-N 1 0 378.318 2.834 20 0 GFADRO C[NH2+]C[C@@H](C)c1noc(-c2cc(Br)cnc2Br)n1 ZINC000900006703 663706311 /nfs/dbraw/zinc/70/63/11/663706311.db2.gz VXOQWOFDINHGPJ-ZCFIWIBFSA-N 1 0 376.052 2.980 20 0 GFADRO O=C1Nc2c(cccc2Br)[C@H]1Cc1nc([C@@H]2CCC[NH2+]C2)no1 ZINC000900015225 663706487 /nfs/dbraw/zinc/70/64/87/663706487.db2.gz IRTILQDVEBQGQF-MWLCHTKSSA-N 1 0 377.242 2.578 20 0 GFADRO CC[NH+](CC)CCC[C@H](C)NC(=O)CNC(=O)c1cnc(Cl)c(Cl)c1 ZINC000900304767 663712054 /nfs/dbraw/zinc/71/20/54/663712054.db2.gz GUVRHEYCFDTKPW-LBPRGKRZSA-N 1 0 389.327 2.745 20 0 GFADRO O=C([C@H]1CC[C@H]2CCCC[N@@H+]21)N1CCC(n2cc(Br)cn2)CC1 ZINC000900645542 663718728 /nfs/dbraw/zinc/71/87/28/663718728.db2.gz SFRYAAPXBBMWEB-GDBMZVCRSA-N 1 0 381.318 2.826 20 0 GFADRO C[C@@H](NC(=O)CCSc1nc2ccccc2s1)[C@H]1C[N@H+](C)CCN1C ZINC000900800390 663721702 /nfs/dbraw/zinc/72/17/02/663721702.db2.gz CQJVGOGPCMEJDK-UKRRQHHQSA-N 1 0 378.567 2.529 20 0 GFADRO Cc1ccc(F)c(Br)c1C(=O)NCC1(O)CC[NH+](C(C)C)CC1 ZINC000901057061 663729503 /nfs/dbraw/zinc/72/95/03/663729503.db2.gz FLOGOMHXHHBGDI-UHFFFAOYSA-N 1 0 387.293 2.862 20 0 GFADRO CC(C)[NH+]1CCN(CCC(=O)NCCSCc2ccnc(Cl)c2)CC1 ZINC000901300099 663733943 /nfs/dbraw/zinc/73/39/43/663733943.db2.gz SOOFXPMOVGCMDC-UHFFFAOYSA-N 1 0 384.977 2.501 20 0 GFADRO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@H]2CCc3ncc(Br)n3C2)cc1 ZINC000901727201 663743742 /nfs/dbraw/zinc/74/37/42/663743742.db2.gz DPQNTRYVXZITSM-YPMHNXCESA-N 1 0 393.285 2.586 20 0 GFADRO Cc1ccccc1CNC(=O)[C@@H](C)[NH2+][C@@H]1CCc2ncc(Br)n2C1 ZINC000901728118 663743844 /nfs/dbraw/zinc/74/38/44/663743844.db2.gz KXTYSOCSPXBJBM-UKRRQHHQSA-N 1 0 391.313 2.563 20 0 GFADRO CC[NH+]1CCC(NS(=O)(=O)c2c[nH]c3cc(Br)ccc32)CC1 ZINC000901840062 663747909 /nfs/dbraw/zinc/74/79/09/663747909.db2.gz ZIRYYJKOFMVLSC-UHFFFAOYSA-N 1 0 386.315 2.693 20 0 GFADRO CCCC[N@H+](Cn1nnc(-c2cscn2)n1)[C@@H]1CCc2ncsc2C1 ZINC000902301152 663758735 /nfs/dbraw/zinc/75/87/35/663758735.db2.gz CUNKNOQIVLTWIG-GFCCVEGCSA-N 1 0 375.527 2.870 20 0 GFADRO Cc1c([C@H](C)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)nnn1-c1cccc(Br)c1 ZINC000902472993 663761693 /nfs/dbraw/zinc/76/16/93/663761693.db2.gz NRIGYBPGIJPLKH-GCOQZVFPSA-N 1 0 376.302 2.882 20 0 GFADRO COC(=O)c1c2cnn(C[N@@H+](C)[C@@H]3CC[C@@H]3OC)c2ccc1Br ZINC000902636341 663764884 /nfs/dbraw/zinc/76/48/84/663764884.db2.gz AKUWFGDZUCQFFC-KGLIPLIRSA-N 1 0 382.258 2.652 20 0 GFADRO O=C(NCCC[NH2+][C@@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21)c1cccc(Br)c1 ZINC000902784032 663767445 /nfs/dbraw/zinc/76/74/45/663767445.db2.gz MMBLVSMNNIFFQO-QXDIGNSFSA-N 1 0 393.325 2.972 20 0 GFADRO C[C@H]([NH2+]C1CCN(S(=O)(=O)C2CC2)CC1)c1ccc(C(F)(F)F)cn1 ZINC000902876847 663769049 /nfs/dbraw/zinc/76/90/49/663769049.db2.gz DGGJQHFXNHYJDW-NSHDSACASA-N 1 0 377.432 2.708 20 0 GFADRO O=C1[C@H]([NH2+][C@@H]2CC[C@@H]3[C@H]4OCC[C@H]4[C@@H]32)CCN1c1cccc(Br)c1 ZINC000902975075 663770161 /nfs/dbraw/zinc/77/01/61/663770161.db2.gz DPVFMORNWCLUCX-DWMDIXPDSA-N 1 0 391.309 2.958 20 0 GFADRO CC(C)COC[C@@H](O)C[NH2+][C@H](C)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000903076001 663772375 /nfs/dbraw/zinc/77/23/75/663772375.db2.gz ILMRDEUDUBTESK-OCCSQVGLSA-N 1 0 383.432 2.664 20 0 GFADRO C[C@H]([NH2+]CCOC[C@H]1CCCO1)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000903098604 663773629 /nfs/dbraw/zinc/77/36/29/663773629.db2.gz RLPYMZBXKSYKJQ-GXTWGEPZSA-N 1 0 381.416 2.826 20 0 GFADRO C[C@H]([NH2+]C[C@H]1CC[C@@H](C(F)(F)F)O1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000903181937 663777323 /nfs/dbraw/zinc/77/73/23/663777323.db2.gz YNWSNTMFAKNRRP-LNSITVRQSA-N 1 0 380.432 2.697 20 0 GFADRO C[C@@H](CC(=O)Nc1cccnc1Cl)[NH2+]Cc1cn(C)nc1Br ZINC000903189445 663777626 /nfs/dbraw/zinc/77/76/26/663777626.db2.gz WSUKLZQPDBROAA-VIFPVBQESA-N 1 0 386.681 2.738 20 0 GFADRO O=S(=O)(c1c(Cl)cccc1Br)N1CCC([NH+]2CCC2)CC1 ZINC000903204540 663778423 /nfs/dbraw/zinc/77/84/23/663778423.db2.gz SEYRZPZLJCNDSB-UHFFFAOYSA-N 1 0 393.734 2.961 20 0 GFADRO C[C@H]([NH2+]CC[C@H]1CC(=O)N(C)C1)c1ccc(F)c(I)c1 ZINC000903211922 663778629 /nfs/dbraw/zinc/77/86/29/663778629.db2.gz UWGFFBXGEGQZIR-QWRGUYRKSA-N 1 0 390.240 2.949 20 0 GFADRO C[C@H]([NH2+]C[C@H]1CCCC[C@@H]1NS(C)(=O)=O)c1nc(Br)cs1 ZINC000903233824 663780070 /nfs/dbraw/zinc/78/00/70/663780070.db2.gz JHTGESOTJSJIDJ-AXFHLTTASA-N 1 0 396.376 2.664 20 0 GFADRO CO[C@]1(C[NH2+][C@H]2CCCc3c4cc(Cl)ccc4[nH]c32)CCS(=O)(=O)C1 ZINC000903362329 663782563 /nfs/dbraw/zinc/78/25/63/663782563.db2.gz DNEYMILGYROIFE-WMZOPIPTSA-N 1 0 382.913 2.992 20 0 GFADRO CO[C@@]1(C[NH2+][C@@H]2CCc3cc(Br)cc(C)c32)CCS(=O)(=O)C1 ZINC000903363670 663782694 /nfs/dbraw/zinc/78/26/94/663782694.db2.gz QNIGMUNRXIHLBX-GDBMZVCRSA-N 1 0 388.327 2.538 20 0 GFADRO O=c1cc(N2CC[C@H]([NH2+][C@@H]3CCc4sc(Br)cc43)C2)nc[nH]1 ZINC000903398457 663783677 /nfs/dbraw/zinc/78/36/77/663783677.db2.gz KCADGWVQGHKLOS-GXSJLCMTSA-N 1 0 381.299 2.862 20 0 GFADRO O=c1cc(N2CC[C@@H]([NH2+][C@H]3CCc4sc(Br)cc43)C2)nc[nH]1 ZINC000903398458 663783784 /nfs/dbraw/zinc/78/37/84/663783784.db2.gz KCADGWVQGHKLOS-KOLCDFICSA-N 1 0 381.299 2.862 20 0 GFADRO O=c1ccn(CCC[NH2+][C@@H]2CCCOc3c(Br)cccc32)c(=O)[nH]1 ZINC000903432213 663784527 /nfs/dbraw/zinc/78/45/27/663784527.db2.gz JMSZBYXOCGAOOF-CQSZACIVSA-N 1 0 394.269 2.605 20 0 GFADRO COC(=O)c1csc([C@H](C)[NH2+][C@H]2CCN(c3cn[nH]c(=O)c3Cl)C2)c1 ZINC000903434551 663784730 /nfs/dbraw/zinc/78/47/30/663784730.db2.gz MQOCMRZMFVNXAX-ONGXEEELSA-N 1 0 382.873 2.613 20 0 GFADRO COC(=O)C1CC2(C1)C[C@@H]([NH2+][C@@H](C)c1cccc(Cl)c1)CCS2(=O)=O ZINC000903452351 663785005 /nfs/dbraw/zinc/78/50/05/663785005.db2.gz MGKMBDCDPHEDGJ-KKRIXCKUSA-N 1 0 385.913 2.890 20 0 GFADRO Brc1cccc(Cc2noc(CN[C@@H]3CC[NH2+]C34CCC4)n2)c1 ZINC000903472177 663785284 /nfs/dbraw/zinc/78/52/84/663785284.db2.gz XIXFZLNIJLNWKE-CQSZACIVSA-N 1 0 377.286 2.797 20 0 GFADRO C[C@@H](NS(=O)(=O)c1c[nH]c2cc(Br)ccc21)[C@@H]1CCC[NH2+]C1 ZINC000903484336 663785506 /nfs/dbraw/zinc/78/55/06/663785506.db2.gz YMWINSAZUPZYOW-GHMZBOCLSA-N 1 0 386.315 2.597 20 0 GFADRO CN(C1CCC([NH3+])CC1)S(=O)(=O)c1c[nH]c2cc(Br)ccc21 ZINC000903487388 663785623 /nfs/dbraw/zinc/78/56/23/663785623.db2.gz YEUPJINTSUGFNM-UHFFFAOYSA-N 1 0 386.315 2.821 20 0 GFADRO [NH3+][C@@H]1CN(Cc2nc(-c3cccc(Br)c3)no2)C[C@H]1C(F)(F)F ZINC000903518084 663786696 /nfs/dbraw/zinc/78/66/96/663786696.db2.gz LRNCPRVHUBVSHQ-GHMZBOCLSA-N 1 0 391.191 2.821 20 0 GFADRO O=S(=O)(Cc1cccc(Cl)c1Br)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000903517867 663786780 /nfs/dbraw/zinc/78/67/80/663786780.db2.gz GUGJTXMWFAKILL-GXFFZTMASA-N 1 0 393.734 2.616 20 0 GFADRO CC(C)(C[NH3+])C1CCN(S(=O)(=O)c2ccc(F)cc2Br)CC1 ZINC000903521347 663787017 /nfs/dbraw/zinc/78/70/17/663787017.db2.gz RRPAISHWUMVEFL-UHFFFAOYSA-N 1 0 393.322 2.974 20 0 GFADRO CC1(C)C[NH2+]CC[C@H](NS(=O)(=O)Cc2cccc(F)c2Br)C1 ZINC000903525792 663787379 /nfs/dbraw/zinc/78/73/79/663787379.db2.gz QKFKELKTLSCIBW-LBPRGKRZSA-N 1 0 393.322 2.786 20 0 GFADRO COc1ccc(Cl)cc1NC(=O)[C@H](C)N1CC[C@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000903535275 663787626 /nfs/dbraw/zinc/78/76/26/663787626.db2.gz XBYFFYZERSZYAC-DLOVCJGASA-N 1 0 379.810 2.887 20 0 GFADRO Cc1ccc(Cl)c(S(=O)(=O)N[C@H]2C[NH2+]CC3(CCOCC3)C2)c1Cl ZINC000903545311 663788111 /nfs/dbraw/zinc/78/81/11/663788111.db2.gz LAHHJXWWYGBJFP-GFCCVEGCSA-N 1 0 393.336 2.739 20 0 GFADRO Cc1ccc(Cl)c(S(=O)(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)c1Cl ZINC000903569896 663789017 /nfs/dbraw/zinc/78/90/17/663789017.db2.gz NWEYARCMNFANOY-VXNVDRBHSA-N 1 0 377.215 2.812 20 0 GFADRO Cc1cc(C)c(S(=O)(=O)N[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)s1 ZINC000903574492 663789610 /nfs/dbraw/zinc/78/96/10/663789610.db2.gz SDYXTFROGZVYEK-CRAIPNDOSA-N 1 0 378.519 2.899 20 0 GFADRO [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(S(=O)(=O)c1cccc(Br)c1Cl)C2 ZINC000903580125 663790308 /nfs/dbraw/zinc/79/03/08/663790308.db2.gz UGEJPPYZFXFXJX-AEJSXWLSSA-N 1 0 379.707 2.603 20 0 GFADRO [NH3+]C[C@]12CC[C@@H]1CCN2S(=O)(=O)c1cc(Br)sc1Cl ZINC000903588081 663790715 /nfs/dbraw/zinc/79/07/15/663790715.db2.gz DLPLGACCHSHPAB-RDDDGLTNSA-N 1 0 385.736 2.666 20 0 GFADRO O=S(=O)(c1cc(Cl)ccc1Br)N1CCC[C@]12CC[NH2+]C2 ZINC000903593565 663791113 /nfs/dbraw/zinc/79/11/13/663791113.db2.gz PEJHSOMRMFHTQO-CYBMUJFWSA-N 1 0 379.707 2.619 20 0 GFADRO O[C@@H](COc1c(Cl)cccc1Cl)CN1CC[NH2+]CCC12CCOCC2 ZINC000903819683 663807703 /nfs/dbraw/zinc/80/77/03/663807703.db2.gz LTBIGYGCUWMILV-CQSZACIVSA-N 1 0 389.323 2.578 20 0 GFADRO COCC[C@H]1C[NH2+]CCN1Cc1ncc(-c2ccc(Br)cc2)o1 ZINC000903836990 663808143 /nfs/dbraw/zinc/80/81/43/663808143.db2.gz ZBSGABJTAALGPM-HNNXBMFYSA-N 1 0 380.286 2.914 20 0 GFADRO Cc1c(C[C@@H](C[NH3+])CN2CCc3c(Br)cccc3C2)cnn1C ZINC000903888703 663810037 /nfs/dbraw/zinc/81/00/37/663810037.db2.gz JJFNBMUNKVHJIH-AWEZNQCLSA-N 1 0 377.330 2.667 20 0 GFADRO CCOC(=O)c1sc(CC2CCN(C[C@@H]([NH3+])CC(F)F)CC2)nc1C ZINC000903937725 663812800 /nfs/dbraw/zinc/81/28/00/663812800.db2.gz QIOMIANSLYNWGB-ZDUSSCGKSA-N 1 0 375.485 2.865 20 0 GFADRO Fc1ccc(Br)c(F)c1CN[C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903973137 663814309 /nfs/dbraw/zinc/81/43/09/663814309.db2.gz OXRGGQBAEBVYNU-NSHDSACASA-N 1 0 375.257 2.976 20 0 GFADRO C[N@@H+]1CC[C@H](Cc2nc(-c3n[nH]c(-c4cccc(Br)c4)n3)no2)C1 ZINC000904068635 663822360 /nfs/dbraw/zinc/82/23/60/663822360.db2.gz BWAIDHNTVJHBSS-SNVBAGLBSA-N 1 0 389.257 2.778 20 0 GFADRO [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)Nc1cc3c(cc1Br)OCCO3)C2 ZINC000904277717 663829959 /nfs/dbraw/zinc/82/99/59/663829959.db2.gz ADOQJHSTJZYJTG-DCAQKATOSA-N 1 0 382.258 2.564 20 0 GFADRO Cc1cc(I)ccc1NC(=O)N1CC[C@@H]2CC[C@@]21C[NH3+] ZINC000904274005 663829966 /nfs/dbraw/zinc/82/99/66/663829966.db2.gz HTIJUBIFZOBPHM-XHDPSFHLSA-N 1 0 385.249 2.945 20 0 GFADRO O=C(Nc1cnn(-c2ccccc2Br)c1)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000904392997 663832515 /nfs/dbraw/zinc/83/25/15/663832515.db2.gz GHMLUOPZPNGZFY-DDTOSNHZSA-N 1 0 376.258 2.649 20 0 GFADRO C[C@@H]1C[C@@H](CN2CCn3c(c(Br)nc3C(F)(F)F)C2)CC[NH2+]1 ZINC000904469022 663835383 /nfs/dbraw/zinc/83/53/83/663835383.db2.gz HZZCNUDPYJVFHK-ZJUUUORDSA-N 1 0 381.240 2.868 20 0 GFADRO O=C(Nc1cc(Cl)ccc1I)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000904484357 663835930 /nfs/dbraw/zinc/83/59/30/663835930.db2.gz GHPQLQYPQZXHIA-MKPLZMMCSA-N 1 0 391.640 2.959 20 0 GFADRO [NH3+]C[C@@]12CC[C@H]1CCN2C(=O)Nc1ccn(-c2ccc(Br)cc2)n1 ZINC000904485968 663836339 /nfs/dbraw/zinc/83/63/39/663836339.db2.gz ZWPMIFRAMSJWCD-SJCJKPOMSA-N 1 0 390.285 2.980 20 0 GFADRO COC[C@H]1C[NH2+]CCN1C(=O)Nc1cc(Cl)c(Br)cc1C ZINC000904522923 663836578 /nfs/dbraw/zinc/83/65/78/663836578.db2.gz ZURUTSWCFKSGEU-SNVBAGLBSA-N 1 0 376.682 2.863 20 0 GFADRO Brc1ccccc1CCCc1noc([C@]23C[NH2+]C[C@H]2CCOC3)n1 ZINC000904674730 663840082 /nfs/dbraw/zinc/84/00/82/663840082.db2.gz PGFPDQAXEGDTJK-KDOFPFPSSA-N 1 0 392.297 2.885 20 0 GFADRO Brc1ccc(-c2noc([C@@H]3CC[NH2+][C@H]([C@H]4CCCO4)C3)n2)nc1 ZINC000904683420 663841086 /nfs/dbraw/zinc/84/10/86/663841086.db2.gz RHZNJBDCOUWFNQ-DDTOSNHZSA-N 1 0 379.258 2.909 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)C[NH2+]C[C@H](O)CC1(CO)CCCC1 ZINC000905022120 663849807 /nfs/dbraw/zinc/84/98/07/663849807.db2.gz CEBBAYYQWUKVSS-OAHLLOKOSA-N 1 0 399.329 2.589 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)C[NH2+]C[C@@H](O)CC1(O)CCCCC1 ZINC000905082720 663851825 /nfs/dbraw/zinc/85/18/25/663851825.db2.gz UFQWXLRIQFUWSO-HNNXBMFYSA-N 1 0 399.329 2.732 20 0 GFADRO CSCCC[NH2+]C[C@H](O)c1ccc2c(c1)CN(C(=O)C(F)(F)F)CC2 ZINC000905126310 663854191 /nfs/dbraw/zinc/85/41/91/663854191.db2.gz DYAMBWZIXFYHQW-HNNXBMFYSA-N 1 0 376.444 2.510 20 0 GFADRO O[C@H](C[NH2+]Cc1cc(Cl)cc(Cl)c1OC(F)F)C1(O)CCOCC1 ZINC000905162789 663855677 /nfs/dbraw/zinc/85/56/77/663855677.db2.gz XTQQIXSYKDIISZ-GFCCVEGCSA-N 1 0 386.222 2.587 20 0 GFADRO O[C@@H](C[NH2+][C@H]1CCN(c2cccc(Br)c2)C1)CC1(O)CCCC1 ZINC000905236889 663861390 /nfs/dbraw/zinc/86/13/90/663861390.db2.gz GGJZZRNILAZNEM-DOTOQJQBSA-N 1 0 383.330 2.674 20 0 GFADRO Cc1cc(C[NH2+]C[C@H](O)c2ccc(Cl)c(Cl)c2)ccc1S(N)(=O)=O ZINC000905237699 663861640 /nfs/dbraw/zinc/86/16/40/663861640.db2.gz KCAQKTTYPGTGJX-HNNXBMFYSA-N 1 0 389.304 2.772 20 0 GFADRO O[C@H](CCC1(O)CCC1)C[NH2+][C@H]1CCN(c2cccc(Br)c2)C1 ZINC000905237286 663861667 /nfs/dbraw/zinc/86/16/67/663861667.db2.gz HYBUQJWRGQNMMO-DOTOQJQBSA-N 1 0 383.330 2.674 20 0 GFADRO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+]C[C@@H](O)CC2(CO)CCCC2)c1 ZINC000905286873 663863856 /nfs/dbraw/zinc/86/38/56/663863856.db2.gz SNEMFQAZPHGIAN-INIZCTEOSA-N 1 0 389.945 2.527 20 0 GFADRO O=S(=O)(CC1CC[NH2+]CC1)N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000905342055 663866354 /nfs/dbraw/zinc/86/63/54/663866354.db2.gz DJCFEIKMYSICSC-GFCCVEGCSA-N 1 0 397.488 2.671 20 0 GFADRO CC(C)[NH+]1CCC(NC(=O)C(F)(F)c2ncccc2Br)CC1 ZINC000905345024 663866494 /nfs/dbraw/zinc/86/64/94/663866494.db2.gz JIPGBLSUIGTWIB-UHFFFAOYSA-N 1 0 376.245 2.925 20 0 GFADRO COC[C@@H](C)OC[C@H](O)C[NH2+]CCc1cc(Cl)cc(Br)c1 ZINC000905418851 663870595 /nfs/dbraw/zinc/87/05/95/663870595.db2.gz LXHOSVZHTDWDBY-IAQYHMDHSA-N 1 0 380.710 2.647 20 0 GFADRO O[C@@H](C[NH2+]Cc1ccc2ccc(Br)cc2c1)C[C@@]1(O)CCOC1 ZINC000905419261 663870810 /nfs/dbraw/zinc/87/08/10/663870810.db2.gz UQDLQWXLYFTQGD-MSOLQXFVSA-N 1 0 380.282 2.594 20 0 GFADRO COC[C@H]1C[C@@H]([NH2+]C[C@@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000905431005 663871096 /nfs/dbraw/zinc/87/10/96/663871096.db2.gz RCYNNKQYMMYQAS-KGYLQXTDSA-N 1 0 378.694 2.857 20 0 GFADRO CO[C@@]1(C[NH2+]C[C@](C)(O)c2ccc(Br)cc2F)CCSC1 ZINC000905546131 663877701 /nfs/dbraw/zinc/87/77/01/663877701.db2.gz IIFVLBUYEMPXEF-LSDHHAIUSA-N 1 0 378.307 2.907 20 0 GFADRO C[NH+]1CCC(CNC(=S)N2CCC[C@H]2c2ncc(Br)cn2)CC1 ZINC000905645998 663883543 /nfs/dbraw/zinc/88/35/43/663883543.db2.gz UTXHOIDQQHJYJO-AWEZNQCLSA-N 1 0 398.374 2.592 20 0 GFADRO C[NH+](C)[C@@H]1CCCN(C(=O)c2ccc(Cn3cc(Br)cn3)s2)C1 ZINC000906528929 663956289 /nfs/dbraw/zinc/95/62/89/663956289.db2.gz IMCYWCXTPDRVLK-CYBMUJFWSA-N 1 0 397.342 2.922 20 0 GFADRO O=C(c1cccn2ncc(Br)c12)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000906610539 663960720 /nfs/dbraw/zinc/96/07/20/663960720.db2.gz GDZBFRNGYGBBBU-CYBMUJFWSA-N 1 0 377.286 2.797 20 0 GFADRO C[NH+](C)CC1CCN(C(=O)C(F)(F)c2ncccc2Br)CC1 ZINC000906674123 663964445 /nfs/dbraw/zinc/96/44/45/663964445.db2.gz RJUGIIICDVYTJG-UHFFFAOYSA-N 1 0 376.245 2.736 20 0 GFADRO COC(=O)c1nc(C(=O)Nc2ccc(OCC[NH+](C)C)c(Cl)c2)cs1 ZINC000906723574 663967125 /nfs/dbraw/zinc/96/71/25/663967125.db2.gz UMWDCHDKDGSZGP-UHFFFAOYSA-N 1 0 383.857 2.776 20 0 GFADRO C[C@H]1C[C@@H](N(C)C(=O)c2cc(Br)cn(C3CC3)c2=O)CC[N@@H+]1C ZINC000906792128 663971286 /nfs/dbraw/zinc/97/12/86/663971286.db2.gz MSSXYFJZROKIRH-FZMZJTMJSA-N 1 0 382.302 2.500 20 0 GFADRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)c1cc(Br)cn(C2CC2)c1=O ZINC000906816890 663973436 /nfs/dbraw/zinc/97/34/36/663973436.db2.gz KCMXALPZEKEHOL-AWEZNQCLSA-N 1 0 396.329 2.892 20 0 GFADRO CC[NH+](CC)C[C@H]1CCN(C(=O)c2cccn3ncc(Br)c23)C1 ZINC000906839816 663975526 /nfs/dbraw/zinc/97/55/26/663975526.db2.gz DHGPFCHYJNXPKV-CYBMUJFWSA-N 1 0 379.302 2.901 20 0 GFADRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)c1nscc1I ZINC000907170241 664008896 /nfs/dbraw/zinc/00/88/96/664008896.db2.gz CBKNQACQXIFVEZ-VIFPVBQESA-N 1 0 393.294 2.550 20 0 GFADRO C[C@@H](NC(=O)c1cnnn1-c1cc(Cl)ccc1Cl)C1=CC[N@H+](C)CC1 ZINC000907284026 664019461 /nfs/dbraw/zinc/01/94/61/664019461.db2.gz SZHVZHUOSRJWNJ-LLVKDONJSA-N 1 0 380.279 2.954 20 0 GFADRO C[NH+]1CCC2(CCN(S(=O)(=O)c3c[nH]c4ncc(Cl)cc34)CC2)CC1 ZINC000907317554 664022713 /nfs/dbraw/zinc/02/27/13/664022713.db2.gz MDFURDPTSVQTKN-UHFFFAOYSA-N 1 0 382.917 2.713 20 0 GFADRO CC(C)N1CCc2nc(NC(=O)C[C@@H](O)C(Cl)(Cl)Cl)sc2C1 ZINC000907322800 664023174 /nfs/dbraw/zinc/02/31/74/664023174.db2.gz ZOQLGGJODCWANU-SNVBAGLBSA-N 1 0 386.732 2.969 20 0 GFADRO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)S(=O)(=O)N3CCCCCC3)C2)s1 ZINC000907347898 664026745 /nfs/dbraw/zinc/02/67/45/664026745.db2.gz WPAGHOHGEKBMIA-KRWDZBQOSA-N 1 0 385.599 2.931 20 0 GFADRO O=C(N1CCO[C@H](c2ccc(F)c(Br)c2)C1)C12CC[NH+](CC1)C2 ZINC000907468647 664037015 /nfs/dbraw/zinc/03/70/15/664037015.db2.gz WPYMEFOSWRRHEK-HNNXBMFYSA-N 1 0 383.261 2.584 20 0 GFADRO Cc1c(Br)cccc1CS(=O)(=O)N1CCC12CC[NH+](C)CC2 ZINC000907857837 664066681 /nfs/dbraw/zinc/06/66/81/664066681.db2.gz QFDKVNYPIYACIL-UHFFFAOYSA-N 1 0 387.343 2.757 20 0 GFADRO CC[NH+](CC)CC[C@H](CO)NC(=O)c1c(C)ccc(F)c1Br ZINC000907934947 664072563 /nfs/dbraw/zinc/07/25/63/664072563.db2.gz NVQUEYWYBBGORP-GFCCVEGCSA-N 1 0 375.282 2.719 20 0 GFADRO CN(CCC[NH+]1CCCC1)C(=O)c1cc(Br)cn(C2CC2)c1=O ZINC000907960718 664074297 /nfs/dbraw/zinc/07/42/97/664074297.db2.gz WCASRXYRPVIDDE-UHFFFAOYSA-N 1 0 382.302 2.504 20 0 GFADRO CN(C)C(=O)Sc1cc(NC(=O)C[C@]2(O)CCC[N@H+](C)C2)ccc1Cl ZINC000908194731 664091058 /nfs/dbraw/zinc/09/10/58/664091058.db2.gz FWAHTTHDPWJWPS-QGZVFWFLSA-N 1 0 385.917 2.899 20 0 GFADRO CSC1(CNC(=O)c2nn(C(C)C)cc2Br)CC[NH+](C)CC1 ZINC000908286707 664097416 /nfs/dbraw/zinc/09/74/16/664097416.db2.gz YSPSESKOASFJHV-UHFFFAOYSA-N 1 0 389.363 2.784 20 0 GFADRO CN(C(=O)C[C@@H](O)C(Cl)(Cl)Cl)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000909440226 664158821 /nfs/dbraw/zinc/15/88/21/664158821.db2.gz RXSUMTSQJHPGMS-SNVBAGLBSA-N 1 0 399.668 2.983 20 0 GFADRO CC[N@@H+]1CCCN(C(=O)c2cccnc2-n2cc(Br)cn2)[C@H](C)C1 ZINC000910272512 664203811 /nfs/dbraw/zinc/20/38/11/664203811.db2.gz XZGCWZMSUAFKKK-CYBMUJFWSA-N 1 0 392.301 2.586 20 0 GFADRO CC[C@H](NC(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@H]([NH3+])C1)c1ccc(Cl)s1 ZINC000911032200 664233540 /nfs/dbraw/zinc/23/35/40/664233540.db2.gz CSIMHOPJHIZCBN-BBBLOLIVSA-N 1 0 397.850 2.707 20 0 GFADRO Cc1cc(Br)c(CC(=O)N2CCOC3(CC[NH+](C)CC3)C2)s1 ZINC000911594131 664249753 /nfs/dbraw/zinc/24/97/53/664249753.db2.gz CVPSLIYCOGFWTM-UHFFFAOYSA-N 1 0 387.343 2.685 20 0 GFADRO O=C(NC[C@H]1CCC[NH2+]1)c1c(Cl)ccc(I)c1F ZINC000911752661 664255171 /nfs/dbraw/zinc/25/51/71/664255171.db2.gz XMYWQSBAUFLABZ-SSDOTTSWSA-N 1 0 382.604 2.566 20 0 GFADRO CC(C)[C@H]([NH3+])CNC(=O)c1c(Cl)ccc(I)c1F ZINC000911826464 664257582 /nfs/dbraw/zinc/25/75/82/664257582.db2.gz NTYDNXHMLVWTOB-SECBINFHSA-N 1 0 384.620 2.797 20 0 GFADRO CC(C)C[C@](C)(C[NH3+])NC(=O)C[C@@H]1c2cccc(Br)c2NC1=O ZINC000911830030 664257817 /nfs/dbraw/zinc/25/78/17/664257817.db2.gz NRKZIOLQIZLRMI-SJKOYZFVSA-N 1 0 382.302 2.755 20 0 GFADRO C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)N(CCO)C1CC[NH+](C)CC1 ZINC000911934539 664262571 /nfs/dbraw/zinc/26/25/71/664262571.db2.gz FWGWGMIPBUVOIQ-GFCCVEGCSA-N 1 0 375.296 2.676 20 0 GFADRO Cc1nc(SCC(C)C)sc1CC(=O)N(CCO)C1CC[NH+](C)CC1 ZINC000911947985 664263231 /nfs/dbraw/zinc/26/32/31/664263231.db2.gz VYGBMDWNWYIJSL-UHFFFAOYSA-N 1 0 385.599 2.657 20 0 GFADRO CN(Cc1ccccc1Br)C(=O)[C@@H]1CC[NH2+][C@H]([C@H]2CCCO2)C1 ZINC000911998677 664265685 /nfs/dbraw/zinc/26/56/85/664265685.db2.gz RYZVBGBWKPDAIA-XOKHGSTOSA-N 1 0 381.314 2.955 20 0 GFADRO Cc1c(Br)cccc1CNC(=O)CCN1CC[NH+](C(C)C)CC1 ZINC000912047580 664268369 /nfs/dbraw/zinc/26/83/69/664268369.db2.gz LMUOKLRUTBQRAA-UHFFFAOYSA-N 1 0 382.346 2.790 20 0 GFADRO Cc1nc(-c2ccc(CCNC(=O)Cc3csc(C[NH3+])n3)s2)cs1 ZINC000912155553 664271953 /nfs/dbraw/zinc/27/19/53/664271953.db2.gz LMXICUUYOSVPAV-UHFFFAOYSA-N 1 0 378.548 2.997 20 0 GFADRO Cc1ccc([C@H](C)N(C)C(=O)c2cc(Br)cn(CC[NH3+])c2=O)cc1 ZINC000912352106 664283015 /nfs/dbraw/zinc/28/30/15/664283015.db2.gz LKHOZHVIBXKAHD-ZDUSSCGKSA-N 1 0 392.297 2.711 20 0 GFADRO O=C(Cc1ccc(Br)s1)NC1CC[NH+](C2CCOCC2)CC1 ZINC000912354511 664283427 /nfs/dbraw/zinc/28/34/27/664283427.db2.gz YLOBACZUPOEHES-UHFFFAOYSA-N 1 0 387.343 2.813 20 0 GFADRO C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N[C@@]1(C)C[NH+]2CCC1CC2 ZINC000912376929 664284243 /nfs/dbraw/zinc/28/42/43/664284243.db2.gz AZEHKUZELRMLIA-ZMZPIMSZSA-N 1 0 384.307 2.712 20 0 GFADRO C[C@@H](CCNC(=O)c1ccc(Cn2cc(Br)cn2)s1)[NH+](C)C ZINC000912388415 664284606 /nfs/dbraw/zinc/28/46/06/664284606.db2.gz WGUSYYGZEFFUGC-NSHDSACASA-N 1 0 385.331 2.825 20 0 GFADRO Cc1cc(CNC(=O)C2(c3ccc(Br)cc3)CC[NH2+]CC2)no1 ZINC000912439101 664286830 /nfs/dbraw/zinc/28/68/30/664286830.db2.gz UGVQFHLMIKFQRY-UHFFFAOYSA-N 1 0 378.270 2.683 20 0 GFADRO CCn1cc(NC(=O)C2(c3ccc(Br)cc3)CC[NH2+]CC2)cn1 ZINC000912477721 664289520 /nfs/dbraw/zinc/28/95/20/664289520.db2.gz AZWJWXYZARLQQI-UHFFFAOYSA-N 1 0 377.286 2.925 20 0 GFADRO Cc1cc(Br)c(CNC(=O)CCN2CC[NH+](C(C)C)CC2)s1 ZINC000912504213 664290887 /nfs/dbraw/zinc/29/08/87/664290887.db2.gz PUFVJRRPNJYGRR-UHFFFAOYSA-N 1 0 388.375 2.851 20 0 GFADRO CC(C)C[NH2+]C1(CO)CCN(C(=O)c2cscc2Br)CC1 ZINC000912588129 664293875 /nfs/dbraw/zinc/29/38/75/664293875.db2.gz CMURJTNIJVWDRL-UHFFFAOYSA-N 1 0 375.332 2.723 20 0 GFADRO Cc1ccc(CC(=O)N2CCC(CO)([NH2+]CC(C)C)CC2)c(Br)c1 ZINC000912586619 664293901 /nfs/dbraw/zinc/29/39/01/664293901.db2.gz VYVPNIFCJQUTRT-UHFFFAOYSA-N 1 0 397.357 2.899 20 0 GFADRO Cn1ccnc1[C@@H](NC(=O)C1CC[NH+](C)CC1)c1ccc(Br)cc1 ZINC000912677463 664296485 /nfs/dbraw/zinc/29/64/85/664296485.db2.gz RSVMIZVZTKQMSZ-INIZCTEOSA-N 1 0 391.313 2.730 20 0 GFADRO O=C(Cc1noc2ccc(Br)cc21)N1CCC([NH+]2CCC2)CC1 ZINC000912870875 664306734 /nfs/dbraw/zinc/30/67/34/664306734.db2.gz HSCVBZMIKUUMGN-UHFFFAOYSA-N 1 0 378.270 2.830 20 0 GFADRO Cc1ccc(C(=O)N2CCC([NH+]3CCC3)CC2)cc1I ZINC000912880173 664307318 /nfs/dbraw/zinc/30/73/18/664307318.db2.gz SGKCINBJSWDZAH-UHFFFAOYSA-N 1 0 384.261 2.910 20 0 GFADRO O=C(c1cc(-c2ccc(Br)cc2)n[nH]1)N1CC[C@H]([NH+]2CCC2)C1 ZINC000912924572 664310599 /nfs/dbraw/zinc/31/05/99/664310599.db2.gz ZDPCCIZPLCEAOV-AWEZNQCLSA-N 1 0 375.270 2.759 20 0 GFADRO C[N@@H+]1C[C@@]2(C)CN(C(=O)c3c[nH]c4ncc(Br)cc34)C[C@@]2(C)C1 ZINC000913279677 664331068 /nfs/dbraw/zinc/33/10/68/664331068.db2.gz VGVQGLQZDHHGFJ-CALCHBBNSA-N 1 0 377.286 2.739 20 0 GFADRO C[NH+](C)CC1(O)CCN(C(=O)c2csc(-c3ccc(Cl)cc3)n2)CC1 ZINC000913682005 664349579 /nfs/dbraw/zinc/34/95/79/664349579.db2.gz LJJMPSNEQQVLEI-UHFFFAOYSA-N 1 0 379.913 2.992 20 0 GFADRO C[NH+](C)CC1(O)CCN(C(=O)C(C)(C)c2ccc(Br)cc2)CC1 ZINC000913681782 664349610 /nfs/dbraw/zinc/34/96/10/664349610.db2.gz ZCTGEJXAONIKPS-UHFFFAOYSA-N 1 0 383.330 2.642 20 0 GFADRO CC[C@H](C(=O)N1CCC(O)(C[NH+](C)C)CC1)c1ccc(Br)cc1 ZINC000913683513 664350069 /nfs/dbraw/zinc/35/00/69/664350069.db2.gz GQOLZLNKURTZHE-INIZCTEOSA-N 1 0 383.330 2.858 20 0 GFADRO Cc1ccc(F)c(Br)c1C(=O)N1CCC([NH+]2CCN(C)CC2)CC1 ZINC000913760399 664356222 /nfs/dbraw/zinc/35/62/22/664356222.db2.gz KVKCSIRVJMZWRU-UHFFFAOYSA-N 1 0 398.320 2.749 20 0 GFADRO O=C(NCc1cnc(Cl)s1)NCc1ccccc1CN1CCOCC1 ZINC000913926885 664365974 /nfs/dbraw/zinc/36/59/74/664365974.db2.gz OWBXAVKJMYRMJE-UHFFFAOYSA-N 1 0 380.901 2.628 20 0 GFADRO O=C(NC1CC[NH+](C2CC2)CC1)N1CCC[C@@H]1c1ncc(Br)cn1 ZINC000913981430 664370254 /nfs/dbraw/zinc/37/02/54/664370254.db2.gz LHXGAOYRKPUOMD-OAHLLOKOSA-N 1 0 394.317 2.712 20 0 GFADRO CN(Cc1ncc(Br)cn1)C(=O)NC[C@@H](C1CCCCC1)[NH+](C)C ZINC000914072655 664374290 /nfs/dbraw/zinc/37/42/90/664374290.db2.gz UAGIOQOPPHOEPQ-HNNXBMFYSA-N 1 0 398.349 2.891 20 0 GFADRO CN(Cc1ncc(Br)cn1)C(=O)NC[C@H](C1CCCCC1)[NH+](C)C ZINC000914072656 664374335 /nfs/dbraw/zinc/37/43/35/664374335.db2.gz UAGIOQOPPHOEPQ-OAHLLOKOSA-N 1 0 398.349 2.891 20 0 GFADRO C[C@@H](CNC(=O)N(C)Cc1ncc(Br)cn1)[N@@H+]1CCC[C@@H](C)C1 ZINC000914075258 664374657 /nfs/dbraw/zinc/37/46/57/664374657.db2.gz VNWOGZTYPARJEU-OLZOCXBDSA-N 1 0 384.322 2.501 20 0 GFADRO C[C@@H]1C[C@@H](N(C)S(=O)(=O)Cc2ccsc2Br)CC[N@@H+]1C ZINC000914179857 664383489 /nfs/dbraw/zinc/38/34/89/664383489.db2.gz WIZQTPXKNYOZHR-PWSUYJOCSA-N 1 0 381.361 2.755 20 0 GFADRO Cc1nc([C@@H]2CCCN(S(=O)(=O)C[C@@]34CC[N@H+](C3)CCC4)C2)sc1C ZINC000914189796 664384274 /nfs/dbraw/zinc/38/42/74/664384274.db2.gz VLJUSXBKAQECRL-AEFFLSMTSA-N 1 0 383.583 2.755 20 0 GFADRO CC[N@@H+]1CCC[C@@H](NC(=O)N2CCC[C@H]2c2ncc(Br)cn2)C1 ZINC000914316078 664398465 /nfs/dbraw/zinc/39/84/65/664398465.db2.gz IMGGLPOANYLMOI-KGLIPLIRSA-N 1 0 382.306 2.570 20 0 GFADRO O=S(=O)(C[C@@]12CC[N@H+](C1)CCC2)N1CC=C(c2ccc(Cl)nc2)CC1 ZINC000914326100 664399547 /nfs/dbraw/zinc/39/95/47/664399547.db2.gz BLPWVEHQLWPRED-SFHVURJKSA-N 1 0 381.929 2.640 20 0 GFADRO O=C(NCc1cccc(Br)c1)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000915243485 664424892 /nfs/dbraw/zinc/42/48/92/664424892.db2.gz JERMCCHVGFPHAR-MRXNPFEDSA-N 1 0 382.302 2.502 20 0 GFADRO O=C(NCc1cnc(Cl)cn1)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000915426141 664430904 /nfs/dbraw/zinc/43/09/04/664430904.db2.gz WOYOXCUGENGWQQ-UHFFFAOYSA-N 1 0 379.917 2.903 20 0 GFADRO COc1ccc(C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)cc1Br ZINC000915620961 664435540 /nfs/dbraw/zinc/43/55/40/664435540.db2.gz GIBLMOWITCMNEK-OAHLLOKOSA-N 1 0 397.313 2.831 20 0 GFADRO CC(=O)N[C@@H](CC(=O)N[C@H](C[NH+](C)C)C(C)C)c1ccc(Br)cc1 ZINC000915624211 664436002 /nfs/dbraw/zinc/43/60/02/664436002.db2.gz MBRKKFHPQXDZFZ-DLBZAZTESA-N 1 0 398.345 2.719 20 0 GFADRO CC[NH+]1CCN([C@H](C)CNC(=O)/C=C\c2ccc(C)cc2Br)CC1 ZINC000915630473 664436279 /nfs/dbraw/zinc/43/62/79/664436279.db2.gz PSABLGXAWIBIJN-XITLMJRVSA-N 1 0 394.357 2.913 20 0 GFADRO C[NH+](C)CCN(Cc1ccsc1)S(=O)(=O)Cc1noc2c1CCCC2 ZINC000916269822 664455701 /nfs/dbraw/zinc/45/57/01/664455701.db2.gz JWGRUNWTGGFDNS-UHFFFAOYSA-N 1 0 383.539 2.509 20 0 GFADRO C[C@@H](C[NH+](C)C)[C@H]1CCCCN1S(=O)(=O)c1occc1Br ZINC000917867743 664491454 /nfs/dbraw/zinc/49/14/54/664491454.db2.gz YDWKXPQYCVGJGA-WCQYABFASA-N 1 0 379.320 2.783 20 0 GFADRO CC(C)CN(CC[NH+](C)C)C(=O)/C=C\c1ccc(I)o1 ZINC000918692933 664502739 /nfs/dbraw/zinc/50/27/39/664502739.db2.gz BKKIBFDTSDRTTQ-VURMDHGXSA-N 1 0 390.265 2.944 20 0 GFADRO COC(=O)N1CCC([NH2+]C[C@@H](O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000920093484 664522121 /nfs/dbraw/zinc/52/21/21/664522121.db2.gz WEUOXPHSOIPJBT-GFCCVEGCSA-N 1 0 377.268 2.554 20 0 GFADRO COC(=O)N(C)CC(=O)N(CCC[NH+](C)C)Cc1ccc(Cl)c(Cl)c1 ZINC000920249863 664523920 /nfs/dbraw/zinc/52/39/20/664523920.db2.gz OUXZMODLFNYUGX-UHFFFAOYSA-N 1 0 390.311 2.972 20 0 GFADRO CCC[NH+]1CCC(NC(=O)N2CCC[C@H]2c2ncc(Br)cn2)CC1 ZINC000920505832 664527288 /nfs/dbraw/zinc/52/72/88/664527288.db2.gz FHGBODCDHHWUFJ-HNNXBMFYSA-N 1 0 396.333 2.960 20 0 GFADRO COCC[NH+]1CCC(NC(=O)/C=C\c2ccc(C)cc2Br)CC1 ZINC000920775441 664531230 /nfs/dbraw/zinc/53/12/30/664531230.db2.gz QVWCJYAPDMXAOJ-WAYWQWQTSA-N 1 0 381.314 2.998 20 0 GFADRO CN(C)c1cc[nH+]c(CNS(=O)(=O)Cc2ccsc2Br)c1 ZINC000921017526 664535356 /nfs/dbraw/zinc/53/53/56/664535356.db2.gz KSFQGVIDHQSRIV-UHFFFAOYSA-N 1 0 390.328 2.591 20 0 GFADRO C[NH+]1CCN(c2ncccc2CNC(=S)Nc2ccc(Cl)cc2)CC1 ZINC000921145026 664537947 /nfs/dbraw/zinc/53/79/47/664537947.db2.gz VHOIGBDKQWNKCN-UHFFFAOYSA-N 1 0 375.929 2.973 20 0 GFADRO O=S(=O)(CCC[NH+]1CCCC1)N1CCC[C@@H](c2nc3c(s2)CCC3)C1 ZINC000921367364 664544385 /nfs/dbraw/zinc/54/43/85/664544385.db2.gz KJUVQGKJPWRWPZ-OAHLLOKOSA-N 1 0 383.583 2.627 20 0 GFADRO C[NH+](C)CC[C@H](NS(=O)(=O)CC[C@@H]1CC1(Cl)Cl)c1cccnc1 ZINC000921479498 664549997 /nfs/dbraw/zinc/54/99/97/664549997.db2.gz KZMQBTDGPPSCMU-KGLIPLIRSA-N 1 0 380.341 2.578 20 0 GFADRO C[NH+](C)CC[C@@H](NS(=O)(=O)C[C@H]1CCCCC1(F)F)c1cccnc1 ZINC000921480028 664550119 /nfs/dbraw/zinc/55/01/19/664550119.db2.gz XZUCUYGCDKSIIW-HZPDHXFCSA-N 1 0 375.485 2.819 20 0 GFADRO C[NH+](C)CC[C@@H](NS(=O)(=O)c1cc(Cl)cnc1Cl)c1cccnc1 ZINC000921480041 664550141 /nfs/dbraw/zinc/55/01/41/664550141.db2.gz YHERCVOMAHSHGZ-CYBMUJFWSA-N 1 0 389.308 2.755 20 0 GFADRO C[NH+](C)CC[C@H](NS(=O)(=O)c1c(Cl)ccnc1Cl)c1cccnc1 ZINC000921481128 664550161 /nfs/dbraw/zinc/55/01/61/664550161.db2.gz BIUZZFHLTMAPSP-ZDUSSCGKSA-N 1 0 389.308 2.755 20 0 GFADRO Brc1c[nH]c(CNCc2ccc(OCC[NH+]3CCCC3)cc2)n1 ZINC000921723595 664564483 /nfs/dbraw/zinc/56/44/83/664564483.db2.gz BHVLZUFGBUOGKI-UHFFFAOYSA-N 1 0 379.302 2.937 20 0 GFADRO O=S1(=O)CCC[C@@H]([NH2+]Cc2cc3c(cc(F)cc3Br)[nH]2)C1 ZINC000921751302 664566426 /nfs/dbraw/zinc/56/64/26/664566426.db2.gz GJBVUKSMYDEZOM-SNVBAGLBSA-N 1 0 375.263 2.736 20 0 GFADRO FC(F)(F)c1cnc(OCC[NH2+]Cc2cnc3n2CCOC3)c(Cl)c1 ZINC000921776198 664567802 /nfs/dbraw/zinc/56/78/02/664567802.db2.gz MYBSZQBAVACWRV-UHFFFAOYSA-N 1 0 376.766 2.649 20 0 GFADRO C[C@H](NC(=O)N1CCC[C@H]1c1ncc(Br)cn1)C1=CC[N@H+](C)CC1 ZINC000921881416 664574781 /nfs/dbraw/zinc/57/47/81/664574781.db2.gz PYGRRUUINXKEBT-WFASDCNBSA-N 1 0 394.317 2.736 20 0 GFADRO Cn1nc2c(c1C[NH2+]C[C@@H](CO)Cc1ccccc1Br)CCC2 ZINC000922060243 664583344 /nfs/dbraw/zinc/58/33/44/664583344.db2.gz RCCZYKBDAUVMHK-ZDUSSCGKSA-N 1 0 378.314 2.612 20 0 GFADRO O=S(=O)(NCCC[NH2+]Cc1cnn(C2CCC2)c1)c1ccccc1Cl ZINC000922091236 664585447 /nfs/dbraw/zinc/58/54/47/664585447.db2.gz CQVWAWZEFSYQON-UHFFFAOYSA-N 1 0 382.917 2.720 20 0 GFADRO O=S(=O)(NCC[NH2+][C@@H]1CC[C@H]2COCC[C@@H]2C1)c1ccc(F)cc1Cl ZINC000922108859 664585997 /nfs/dbraw/zinc/58/59/97/664585997.db2.gz LXJDTQCJMPJDIN-VNHYZAJKSA-N 1 0 390.908 2.552 20 0 GFADRO COC(=O)[C@H](C)Oc1ccccc1C[NH2+]CCCn1cc(Br)cn1 ZINC000922131313 664587028 /nfs/dbraw/zinc/58/70/28/664587028.db2.gz MKYQPXYQBLAGQP-ZDUSSCGKSA-N 1 0 396.285 2.766 20 0 GFADRO Brc1cccc2[nH]cc(CC[NH2+]Cc3cnc4n3CCOC4)c21 ZINC000922138099 664587242 /nfs/dbraw/zinc/58/72/42/664587242.db2.gz QQPZRFBVLJORNX-UHFFFAOYSA-N 1 0 375.270 2.989 20 0 GFADRO CCn1c(Br)c(Br)nc1C[NH2+]CC1=CCOCC1 ZINC000922152810 664588052 /nfs/dbraw/zinc/58/80/52/664588052.db2.gz ARMYWPYFEPQSDU-UHFFFAOYSA-N 1 0 379.096 2.864 20 0 GFADRO Cc1cc(C[NH2+]CCCCS(C)(=O)=O)c(C)cc1I ZINC000922197213 664589786 /nfs/dbraw/zinc/58/97/86/664589786.db2.gz AQZJFVLREGMSPY-UHFFFAOYSA-N 1 0 395.306 2.822 20 0 GFADRO Cc1ccc(C[NH2+][C@H]2CCC(=O)N(C)[C@@H]2c2ccnn2C)c(Br)c1 ZINC000922404082 664599775 /nfs/dbraw/zinc/59/97/75/664599775.db2.gz IXYDWWIVGNQFHV-YJBOKZPZSA-N 1 0 391.313 2.943 20 0 GFADRO COc1ccc(C[NH2+]C[C@@H]2CCO[C@@H]2c2nnc(C)[nH]2)c(Br)c1 ZINC000922407488 664600278 /nfs/dbraw/zinc/60/02/78/664600278.db2.gz OWYITQKCILMONV-WFASDCNBSA-N 1 0 381.274 2.752 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+]CC[C@@H]1CC(=O)N(C)C1 ZINC000922487688 664603493 /nfs/dbraw/zinc/60/34/93/664603493.db2.gz OWNSFGNJMAIVPR-CQSZACIVSA-N 1 0 391.313 2.901 20 0 GFADRO CS(C)(=O)=NS(=O)(=O)CC[NH2+]Cc1ccc(-c2ccccc2F)s1 ZINC000922492222 664603895 /nfs/dbraw/zinc/60/38/95/664603895.db2.gz LSHBFVIIHCZXRS-UHFFFAOYSA-N 1 0 390.527 2.701 20 0 GFADRO CCS(=O)(=O)c1ccccc1CC[NH2+]C1CCN(CC(F)(F)F)CC1 ZINC000922689134 664610815 /nfs/dbraw/zinc/61/08/15/664610815.db2.gz OEFYPEQUWRDTQB-UHFFFAOYSA-N 1 0 378.460 2.639 20 0 GFADRO CCO[C@H](CNCc1ncc(Br)cc1Br)C[NH+](C)C ZINC000922753583 664613368 /nfs/dbraw/zinc/61/33/68/664613368.db2.gz HRAQQOKQVWPNSU-LLVKDONJSA-N 1 0 395.139 2.663 20 0 GFADRO O=C1C[C@@H](CC[NH2+]Cc2ccc(Br)c(Br)c2)CN1 ZINC000922780323 664614363 /nfs/dbraw/zinc/61/43/63/664614363.db2.gz HYEMGRCMMXSNDB-SNVBAGLBSA-N 1 0 376.092 2.827 20 0 GFADRO COCCOc1ccccc1C[NH2+]CC1(n2cc(Br)cn2)CC1 ZINC000922802216 664614849 /nfs/dbraw/zinc/61/48/49/664614849.db2.gz IVORLXPXAGMDPE-UHFFFAOYSA-N 1 0 380.286 2.950 20 0 GFADRO Brc1cnn(C2(C[NH2+]C3CCN(Cc4ccccn4)CC3)CC2)c1 ZINC000922803248 664614880 /nfs/dbraw/zinc/61/48/80/664614880.db2.gz WYLCILIJQRLDJW-UHFFFAOYSA-N 1 0 390.329 2.784 20 0 GFADRO Brc1ccn2cc(C[NH2+]C[C@H]3CCC4(CCOCC4)O3)nc2c1 ZINC000922805927 664615125 /nfs/dbraw/zinc/61/51/25/664615125.db2.gz AWGQEOWBHUERBY-OAHLLOKOSA-N 1 0 380.286 2.915 20 0 GFADRO CC[N@@H+]1CC[C@H](NC(=O)N2CCCC[C@@H]2c2ncc(Br)cn2)C1 ZINC000922907073 664618272 /nfs/dbraw/zinc/61/82/72/664618272.db2.gz HAGBOGUWQMTVHR-UONOGXRCSA-N 1 0 382.306 2.570 20 0 GFADRO Fc1cccc(C[NH2+]CCOC2CCOCC2)c1I ZINC000922928345 664618916 /nfs/dbraw/zinc/61/89/16/664618916.db2.gz OIIZCVNMEJEQCU-UHFFFAOYSA-N 1 0 379.213 2.716 20 0 GFADRO CCCOc1c(Br)cc(C[NH2+]C[C@H](O)c2ccnn2C)cc1OC ZINC000922975979 664620502 /nfs/dbraw/zinc/62/05/02/664620502.db2.gz ABVJJFPGBMOULZ-HNNXBMFYSA-N 1 0 398.301 2.803 20 0 GFADRO C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N1[C@@H]2CC[C@H]1C[N@H+](C)CC2 ZINC000923300887 664627888 /nfs/dbraw/zinc/62/78/88/664627888.db2.gz BUPIVYNBEHMSDJ-UPJWGTAASA-N 1 0 384.307 2.807 20 0 GFADRO C[C@@H]1CN(C[C@H](O)COc2ccc(Cl)cc2Br)[C@@H](C)C[NH2+]1 ZINC000923360595 664628920 /nfs/dbraw/zinc/62/89/20/664628920.db2.gz CDARQAKBKFZCIX-MDZLAQPJSA-N 1 0 377.710 2.524 20 0 GFADRO O[C@@H](COc1ccc(Cl)cc1Br)CN1CCC2(CC[NH2+]2)CC1 ZINC000923381810 664629340 /nfs/dbraw/zinc/62/93/40/664629340.db2.gz PNBYWYSRZAMAFI-CYBMUJFWSA-N 1 0 389.721 2.670 20 0 GFADRO CCc1nc(CN2CC[NH2+]CCN(Cc3csc(CC)n3)CC2)cs1 ZINC000923396869 664629704 /nfs/dbraw/zinc/62/97/04/664629704.db2.gz YLZWBMPYOCAEQL-UHFFFAOYSA-N 1 0 379.599 2.632 20 0 GFADRO O=C(CN1CCC[C@H]([NH2+]CCO)C1)Nc1cc(Cl)c(Cl)cc1Cl ZINC000923404617 664629944 /nfs/dbraw/zinc/62/99/44/664629944.db2.gz ZFVCEVPTRWRFNO-JTQLQIEISA-N 1 0 380.703 2.632 20 0 GFADRO O=C(CN1CCC[C@@H]([NH2+]CCO)C1)Nc1c(Cl)cc(Cl)cc1Cl ZINC000923402447 664629960 /nfs/dbraw/zinc/62/99/60/664629960.db2.gz JKEHGPGQMRIMBG-LLVKDONJSA-N 1 0 380.703 2.632 20 0 GFADRO O=S(=O)(Cc1ccc(OC(F)(F)F)cc1)NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC000923678680 664635451 /nfs/dbraw/zinc/63/54/51/664635451.db2.gz SBVUWHFFPQPTFD-HUUCEWRRSA-N 1 0 378.416 2.537 20 0 GFADRO Cc1ccc(Br)c(CS(=O)(=O)N2CC[C@H](C[NH3+])[C@H](C)C2)c1 ZINC000923698352 664636242 /nfs/dbraw/zinc/63/62/42/664636242.db2.gz CFVSKTIOHLKGFR-CHWSQXEVSA-N 1 0 375.332 2.504 20 0 GFADRO CCCOc1ccc(Br)cc1S(=O)(=O)N1CC[C@@H](CC[NH3+])C1 ZINC000923701084 664636347 /nfs/dbraw/zinc/63/63/47/664636347.db2.gz YERAVBWMYZJBTD-GFCCVEGCSA-N 1 0 391.331 2.597 20 0 GFADRO C[NH+]1CCC(OCC(=O)OCC(=O)Nc2cccc(Cl)c2Cl)CC1 ZINC000923792232 664638097 /nfs/dbraw/zinc/63/80/97/664638097.db2.gz MKPHRZZJWQUHDB-UHFFFAOYSA-N 1 0 375.252 2.586 20 0 GFADRO C[C@H]([NH2+]Cc1ccccc1Br)C1CCN(S(C)(=O)=O)CC1 ZINC000924856257 664662930 /nfs/dbraw/zinc/66/29/30/664662930.db2.gz AHYZKRBDCJHORI-LBPRGKRZSA-N 1 0 375.332 2.599 20 0 GFADRO CCn1nc(C)c([C@H](C)[NH2+]CCCNC(=O)c2ccc(Br)cc2)n1 ZINC000924910233 664663866 /nfs/dbraw/zinc/66/38/66/664663866.db2.gz UDEWJFJFEZBAST-LBPRGKRZSA-N 1 0 394.317 2.840 20 0 GFADRO Brc1ccccc1N1CC[C@H]([NH2+][C@H]2CCOC23CCOCC3)C1 ZINC000925034344 664665791 /nfs/dbraw/zinc/66/57/91/664665791.db2.gz MTHHVKWXIYWNFK-YOEHRIQHSA-N 1 0 381.314 2.956 20 0 GFADRO Cc1ccc(C[C@H](C)[NH2+][C@@H](C)c2ccc(S(=O)(=O)CC(N)=O)cc2)s1 ZINC000925098931 664666846 /nfs/dbraw/zinc/66/68/46/664666846.db2.gz ONTLLNNKWQRNCY-JSGCOSHPSA-N 1 0 380.535 2.597 20 0 GFADRO O=S1(=O)CCC(O)(C[NH2+][C@H](Cc2ccccc2Cl)c2ccco2)CC1 ZINC000925123949 664667079 /nfs/dbraw/zinc/66/70/79/664667079.db2.gz DYKGSVZEKSRHCY-MRXNPFEDSA-N 1 0 383.897 2.746 20 0 GFADRO Cc1cnc(C2CCN(C(=O)N[C@H]3CCC[N@@H+]4CCSC[C@@H]34)CC2)s1 ZINC000925158833 664667673 /nfs/dbraw/zinc/66/76/73/664667673.db2.gz BGXBEVANMFXIIR-HOTGVXAUSA-N 1 0 380.583 2.920 20 0 GFADRO C[C@@H]1[C@@H](NC(=O)N[C@H](CO)c2ccc(Cl)cc2C(F)(F)F)CC[N@@H+]1C ZINC000925339756 664670742 /nfs/dbraw/zinc/67/07/42/664670742.db2.gz SDNQDZUBUZAIOV-BIGNPOOSSA-N 1 0 379.810 2.784 20 0 GFADRO CCc1nc2n(n1)C[C@@H]([NH2+][C@@H]1CCCc3ncc(Br)cc31)CC2 ZINC000925369107 664671166 /nfs/dbraw/zinc/67/11/66/664671166.db2.gz BFTWOCVPKVOAPF-SWLSCSKDSA-N 1 0 376.302 2.980 20 0 GFADRO C[C@H]([NH2+][C@@H](C)C1CCN(S(C)(=O)=O)CC1)[C@@H](O)c1c(F)cccc1Cl ZINC000925485646 664672683 /nfs/dbraw/zinc/67/26/83/664672683.db2.gz OQFWUCFJMCDSSE-NVGCLXPQSA-N 1 0 392.924 2.551 20 0 GFADRO COc1ccc(I)c(NC(=O)N2C[C@H]([NH3+])C(C)(C)C2)c1 ZINC000925991914 664678781 /nfs/dbraw/zinc/67/87/81/664678781.db2.gz JQHJSPSVMOJTQH-LBPRGKRZSA-N 1 0 389.237 2.501 20 0 GFADRO COc1cc(NC(=O)N[C@H]2C[NH2+]CC3(CCOCC3)C2)ccc1Br ZINC000926049220 664680068 /nfs/dbraw/zinc/68/00/68/664680068.db2.gz IJXBARMDCWSDEN-CYBMUJFWSA-N 1 0 398.301 2.738 20 0 GFADRO C[C@H]1CN(C(=O)Nc2ccc(F)cc2I)CC[C@H]1C[NH3+] ZINC000926056432 664680159 /nfs/dbraw/zinc/68/01/59/664680159.db2.gz YQZDFHPGRXTHKN-UWVGGRQHSA-N 1 0 391.228 2.879 20 0 GFADRO COC(=O)c1cc(Br)ccc1NC(=O)N1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000926078821 664680948 /nfs/dbraw/zinc/68/09/48/664680948.db2.gz FBIDBFVMFIZWEV-GHMZBOCLSA-N 1 0 384.274 2.684 20 0 GFADRO COc1cc(NC(=O)N2CC[C@H](C[NH3+])[C@H](C)C2)cc(OC)c1Br ZINC000926084913 664681296 /nfs/dbraw/zinc/68/12/96/664681296.db2.gz ONSBSAQZKJVQGL-GHMZBOCLSA-N 1 0 386.290 2.915 20 0 GFADRO Cc1nc(Cl)c(Cl)cc1C(=O)N[C@@H]1C[C@@]2(C[N@@H+](C)[C@@H]2C(C)C)C[C@H]1O ZINC000926150752 664683052 /nfs/dbraw/zinc/68/30/52/664683052.db2.gz NPLGKMDNKVFBHN-ADAWSYLGSA-N 1 0 386.323 2.906 20 0 GFADRO O=C(Nc1ccc([C@H]2C[NH2+]CCO2)cc1)N1CCS[C@H](C(F)(F)F)C1 ZINC000926176994 664684147 /nfs/dbraw/zinc/68/41/47/664684147.db2.gz CNPDWPPZCCQOKG-KGLIPLIRSA-N 1 0 375.416 2.859 20 0 GFADRO Cc1cc(Br)ccc1C(=O)N[C@@H]1C[C@@]2(C[N@@H+](C)[C@H]2C(C)C)C[C@H]1O ZINC000926177466 664684168 /nfs/dbraw/zinc/68/41/68/664684168.db2.gz LJUUHBYLTYDAAA-VXNCWWDNSA-N 1 0 395.341 2.967 20 0 GFADRO Cc1cc(Br)oc1C(=O)N[C@@H]1C[C@@]2(C[N@@H+](C)[C@H]2C(C)C)C[C@H]1O ZINC000926185575 664684270 /nfs/dbraw/zinc/68/42/70/664684270.db2.gz ZHYJQJARWSWWDU-LVRJZDEYSA-N 1 0 385.302 2.560 20 0 GFADRO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NC(=O)c3cc(Cl)nc(Cl)c3)C2)[C@@H]1C(C)C ZINC000926262654 664685809 /nfs/dbraw/zinc/68/58/09/664685809.db2.gz QBHZMTOVAZRFMV-GQGSAGHOSA-N 1 0 386.323 2.988 20 0 GFADRO C[C@@H]([NH2+][C@H](C)C1CCN(S(C)(=O)=O)CC1)c1nc(C(F)(F)F)cs1 ZINC000926310767 664687496 /nfs/dbraw/zinc/68/74/96/664687496.db2.gz RNLMODUYZMGTKJ-NXEZZACHSA-N 1 0 385.477 2.873 20 0 GFADRO C[C@@H](Cc1ccccn1)[NH2+]CC(=O)Nc1ccc(I)cc1 ZINC000926377386 664689170 /nfs/dbraw/zinc/68/91/70/664689170.db2.gz JFGOXKCATHAAPE-LBPRGKRZSA-N 1 0 395.244 2.846 20 0 GFADRO CCc1nnc(NC(=O)[C@H](C)[C@H](C)[NH2+][C@@H](C)C2(Br)CC2)s1 ZINC000926419581 664689730 /nfs/dbraw/zinc/68/97/30/664689730.db2.gz PXURMJLJHLOPCG-UTLUCORTSA-N 1 0 375.336 2.969 20 0 GFADRO COc1ccc(C[C@H](CO)C[NH2+][C@H](C)c2cn(C)cn2)cc1Br ZINC000926540467 664691932 /nfs/dbraw/zinc/69/19/32/664691932.db2.gz JZTILDWFHYAUGY-OCCSQVGLSA-N 1 0 382.302 2.693 20 0 GFADRO CCON1CCC([NH2+]C[C@H](CO)Cc2cc(Br)ccc2F)CC1 ZINC000926543091 664691972 /nfs/dbraw/zinc/69/19/72/664691972.db2.gz VIGVSSVOCCPWSA-CYBMUJFWSA-N 1 0 389.309 2.745 20 0 GFADRO C[C@@H]([NH2+]C[C@@H](CO)Cc1cc(Br)ccc1F)c1cc(CO)on1 ZINC000926543151 664692044 /nfs/dbraw/zinc/69/20/44/664692044.db2.gz WAPXVNPKHQHJCY-MNOVXSKESA-N 1 0 387.249 2.570 20 0 GFADRO COc1ccc(Br)cc1C[C@@H](CO)C[NH2+][C@H](C)c1cn(C)cn1 ZINC000926543548 664692166 /nfs/dbraw/zinc/69/21/66/664692166.db2.gz RXKXAVXAKDINDK-CHWSQXEVSA-N 1 0 382.302 2.693 20 0 GFADRO Cc1c(Br)cccc1C[C@H](CO)C[NH2+][C@H]1CCOC12CCOCC2 ZINC000926543436 664692179 /nfs/dbraw/zinc/69/21/79/664692179.db2.gz LVNIAMMXRXOJBA-YJBOKZPZSA-N 1 0 398.341 2.836 20 0 GFADRO CNS(=O)(=O)c1ccc(CC[NH2+][C@H]2CCCc3c(Cl)ccnc32)cc1 ZINC000926806478 664696658 /nfs/dbraw/zinc/69/66/58/664696658.db2.gz JGJCHZPZBUVWAG-KRWDZBQOSA-N 1 0 379.913 2.853 20 0 GFADRO CCO[C@H](CNC(=O)N(C)Cc1csc(Br)c1)C[NH+](C)C ZINC000926835519 664697693 /nfs/dbraw/zinc/69/76/93/664697693.db2.gz WFPUNWKJDWCLAT-GFCCVEGCSA-N 1 0 378.336 2.619 20 0 GFADRO Cc1ccc([C@H]([NH2+]CCN2CCNC2=O)c2cncc(Br)c2)cc1 ZINC000926873912 664698291 /nfs/dbraw/zinc/69/82/91/664698291.db2.gz ORPRDRFSUGQMLL-KRWDZBQOSA-N 1 0 389.297 2.857 20 0 GFADRO C[C@H]([NH2+]C[C@H]1CCCN1CC(F)(F)F)c1ccc(NS(C)(=O)=O)cc1 ZINC000926924615 664699179 /nfs/dbraw/zinc/69/91/79/664699179.db2.gz AMVBBLHTJWOODG-SWLSCSKDSA-N 1 0 379.448 2.735 20 0 GFADRO CN(Cc1ncc(Br)cn1)C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000926973122 664700268 /nfs/dbraw/zinc/70/02/68/664700268.db2.gz IDMKFRJTCBPKQA-CYBMUJFWSA-N 1 0 381.318 2.852 20 0 GFADRO C[C@@H](CCc1ccc(I)cc1)[NH2+]CC[C@H]1CNC(=O)C1 ZINC000926977727 664700794 /nfs/dbraw/zinc/70/07/94/664700794.db2.gz FQPPKRKVUVYDDM-GXTWGEPZSA-N 1 0 386.277 2.728 20 0 GFADRO CN1CC[C@H]([NH2+]CC[C@@H]2CNC(=O)C2)C[C@H]1c1ccc(Br)cc1 ZINC000926979005 664700970 /nfs/dbraw/zinc/70/09/70/664700970.db2.gz KBVSDPFTWCCVDO-JQFCIGGWSA-N 1 0 380.330 2.700 20 0 GFADRO C[C@H](CS(=O)(=O)c1ccccc1)[NH2+]CC1(n2cc(Br)cn2)CC1 ZINC000927008897 664702201 /nfs/dbraw/zinc/70/22/01/664702201.db2.gz VPEOJOBIZLELDG-CYBMUJFWSA-N 1 0 398.326 2.587 20 0 GFADRO Cn1nccc1[C@H](O)C[NH2+][C@H](c1ccc(Br)cc1)[C@@H]1CCCO1 ZINC000927128928 664704927 /nfs/dbraw/zinc/70/49/27/664704927.db2.gz FKGHHHXHNDWGKA-IXDOHACOSA-N 1 0 380.286 2.726 20 0 GFADRO Cn1nccc1[C@H](O)C[NH2+][C@H](c1ccc(Br)cc1)[C@H]1CCCO1 ZINC000927128914 664704941 /nfs/dbraw/zinc/70/49/41/664704941.db2.gz FKGHHHXHNDWGKA-BRWVUGGUSA-N 1 0 380.286 2.726 20 0 GFADRO Cn1nccc1[C@@H](O)C[NH2+][C@H]1CCN(C)[C@@H](c2ccc(Br)cc2)C1 ZINC000927127053 664704950 /nfs/dbraw/zinc/70/49/50/664704950.db2.gz QGSPOTFIQBISQF-JQHSSLGASA-N 1 0 393.329 2.641 20 0 GFADRO Cn1nnc2c1C[C@@H]([NH2+][C@@H]1CCCOc3ccc(Br)cc31)CC2 ZINC000927143054 664705117 /nfs/dbraw/zinc/70/51/17/664705117.db2.gz BEZQQPBCVYWAAE-GXTWGEPZSA-N 1 0 377.286 2.938 20 0 GFADRO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@H]1C[C@H](O)C12CCOCC2 ZINC000927163957 664705373 /nfs/dbraw/zinc/70/53/73/664705373.db2.gz QGSFKBPGMAWEDC-KCXAZCMYSA-N 1 0 397.313 2.686 20 0 GFADRO CN(Cc1cccc(Br)c1)C(=O)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000927648401 664713416 /nfs/dbraw/zinc/71/34/16/664713416.db2.gz KFFJQIDPLKKIEX-KRWDZBQOSA-N 1 0 396.329 2.844 20 0 GFADRO C[NH2+]CCN(C(=O)C(=O)Nc1ccc(-c2ccc(Cl)s2)nc1)C(C)C ZINC000927864763 664716841 /nfs/dbraw/zinc/71/68/41/664716841.db2.gz IJJZRLHCAFOGOE-UHFFFAOYSA-N 1 0 380.901 2.858 20 0 GFADRO CCOc1c(Cl)cc(NC(=O)C(=O)N2CC[C@H](C[NH3+])[C@H](C)C2)cc1Cl ZINC000927891606 664717372 /nfs/dbraw/zinc/71/73/72/664717372.db2.gz UEBZIYKMLRIJCO-GHMZBOCLSA-N 1 0 388.295 2.774 20 0 GFADRO C[C@@H]1CN(C(=O)C(=O)Nc2cc(Cl)cc(C(F)(F)F)c2)CC[C@H]1C[NH3+] ZINC000927889136 664717406 /nfs/dbraw/zinc/71/74/06/664717406.db2.gz BIDRLVUDFDRUMO-ZJUUUORDSA-N 1 0 377.794 2.741 20 0 GFADRO C[NH+](C)CCn1cc(C(=O)N2CCc3ccc(Br)c(F)c3C2)cn1 ZINC000928014416 664719977 /nfs/dbraw/zinc/71/99/77/664719977.db2.gz HGLMNQFDFVPYOG-UHFFFAOYSA-N 1 0 395.276 2.545 20 0 GFADRO COc1ccc(C(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@H]23)c(Br)c1 ZINC000928089423 664722498 /nfs/dbraw/zinc/72/24/98/664722498.db2.gz CVZMTSOYFJMOQX-HUUCEWRRSA-N 1 0 385.327 2.767 20 0 GFADRO Cc1ccc(-c2nc(CC(=O)N[C@@H]3CCC[N@@H+]4CCSC[C@H]34)cs2)o1 ZINC000928097385 664722967 /nfs/dbraw/zinc/72/29/67/664722967.db2.gz ZYPDYIBONPODOB-HUUCEWRRSA-N 1 0 377.535 2.950 20 0 GFADRO C[NH+](C)CCn1ccc(C(=O)N2CCC[C@@H]2c2cncc(Br)c2)n1 ZINC000928353361 664728378 /nfs/dbraw/zinc/72/83/78/664728378.db2.gz HJDCRQGDLCMKSR-MRXNPFEDSA-N 1 0 392.301 2.580 20 0 GFADRO COc1ccc(Br)cc1C(=O)CCC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000928458323 664732793 /nfs/dbraw/zinc/73/27/93/664732793.db2.gz WTHCRCCNDUXGQQ-BXUZGUMPSA-N 1 0 383.286 2.629 20 0 GFADRO C[C@@H]1[C@H](NC(=O)C2(c3ccc(Br)cc3)CCOCC2)CC[N@@H+]1C ZINC000928447106 664732802 /nfs/dbraw/zinc/73/28/02/664732802.db2.gz HOOIDWQICPONEM-CZUORRHYSA-N 1 0 381.314 2.706 20 0 GFADRO O=C(c1cccc(Cl)c1Cl)N1CCN(C[C@@H]2C[C@H]3COC[C@H]3O2)CC1 ZINC000929277080 664749230 /nfs/dbraw/zinc/74/92/30/664749230.db2.gz QARKNFIXDUDHAB-HEHGZKQESA-N 1 0 385.291 2.555 20 0 GFADRO O=C(C[C@H]1C(=O)Nc2ccc(Br)cc21)NCCC[NH+]1CCCCC1 ZINC000929421619 664752105 /nfs/dbraw/zinc/75/21/05/664752105.db2.gz XBPSVFVGTKZCSV-OAHLLOKOSA-N 1 0 394.313 2.867 20 0 GFADRO CC(C)(C)OC(=O)NC[C@@H]1CC[N@H+](C[C@](C)(O)C(F)(F)C(F)(F)F)C1 ZINC000929461342 664752801 /nfs/dbraw/zinc/75/28/01/664752801.db2.gz HYXXVAOJMZDOIH-GWCFXTLKSA-N 1 0 376.366 2.782 20 0 GFADRO CC[N@H+](C[C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F)[C@H]1CCS(=O)(=O)C1 ZINC000929867325 664758875 /nfs/dbraw/zinc/75/88/75/664758875.db2.gz MBMRCPCUONXHNE-OFQRWUPVSA-N 1 0 377.428 2.678 20 0 GFADRO COc1cc(Br)c(NC(=O)N2C[C@@H]3C[N@H+](C)C[C@]3(C)C2)cc1OC ZINC000929917008 664759743 /nfs/dbraw/zinc/75/97/43/664759743.db2.gz WANZMLKYYCNKRB-APPDUMDISA-N 1 0 398.301 2.882 20 0 GFADRO COc1cc(Br)c(NC(=O)N2CC[C@H]3C[N@H+](C)C[C@H]32)cc1OC ZINC000929915386 664759747 /nfs/dbraw/zinc/75/97/47/664759747.db2.gz GYYMVVFBMVHNRR-GXFFZTMASA-N 1 0 384.274 2.634 20 0 GFADRO O[C@H](C[NH2+][C@H](c1ccc(Br)cc1)C1CCC1)C1(O)CCOCC1 ZINC000930214488 664764741 /nfs/dbraw/zinc/76/47/41/664764741.db2.gz YCMQXGDMUNJGEM-SJORKVTESA-N 1 0 384.314 2.782 20 0 GFADRO Cc1cc([C@@H]2CCC[N@@H+]2C[C@H](O)C2(O)CCOCC2)ccc1Br ZINC000930304813 664766630 /nfs/dbraw/zinc/76/66/30/664766630.db2.gz IWMNROKVFPARML-IRXDYDNUSA-N 1 0 384.314 2.797 20 0 GFADRO Cc1cc(Br)ncc1NC(=O)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000930321221 664767011 /nfs/dbraw/zinc/76/70/11/664767011.db2.gz HMCZPQUKIJFVNJ-CYBMUJFWSA-N 1 0 383.290 2.527 20 0 GFADRO Brc1ccc(C[N@H+](CCn2ccnc2)C[C@@H]2C[C@H]3COC[C@@H]3O2)o1 ZINC000930447457 664770635 /nfs/dbraw/zinc/77/06/35/664770635.db2.gz YOJGITSLTHOPEU-BPUTZDHNSA-N 1 0 396.285 2.545 20 0 GFADRO C[C@@H]1C[N@H+](CCCCOc2ccc(Br)cc2)[C@H](C)CN1CCO ZINC000930744786 664777383 /nfs/dbraw/zinc/77/73/83/664777383.db2.gz TVSZQHUNLSTICW-HZPDHXFCSA-N 1 0 385.346 2.995 20 0 GFADRO COc1cc(NC(=O)NCc2cc(N(C)C)cc[nH+]2)ncc1Br ZINC000930791584 664778424 /nfs/dbraw/zinc/77/84/24/664778424.db2.gz ZTIQHHAKGVLWII-UHFFFAOYSA-N 1 0 380.246 2.635 20 0 GFADRO Cc1ccc(I)cc1NC(=O)N1CC[C@@H]2C[N@@H+](C)C[C@@H]21 ZINC000930897309 664780426 /nfs/dbraw/zinc/78/04/26/664780426.db2.gz PWIUDEKOSSOBIF-RISCZKNCSA-N 1 0 385.249 2.767 20 0 GFADRO C[N@@H+]1CC[C@@H]1CNC(=O)Nc1ccnn1Cc1cccc(Br)c1 ZINC000930950803 664782019 /nfs/dbraw/zinc/78/20/19/664782019.db2.gz UCRTXSZDWBKEQL-CQSZACIVSA-N 1 0 378.274 2.520 20 0 GFADRO CC[N@@H+]1CCC[C@H](CNC(=O)[C@](C)(O)c2ccc(F)c(Br)c2)C1 ZINC000931128163 664786773 /nfs/dbraw/zinc/78/67/73/664786773.db2.gz SGKSYOKLZRFDMK-SJKOYZFVSA-N 1 0 387.293 2.644 20 0 GFADRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)c2cc(=O)n(C)cc2Br)C1 ZINC000931134725 664786780 /nfs/dbraw/zinc/78/67/80/664786780.db2.gz PRCPMZBQWXXOEQ-MJBXVCDLSA-N 1 0 396.329 2.625 20 0 GFADRO O=C(c1nc(Br)c2ccccn21)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000931189172 664787833 /nfs/dbraw/zinc/78/78/33/664787833.db2.gz LQLDDYQBHJKDSN-CYBMUJFWSA-N 1 0 377.286 2.797 20 0 GFADRO C[C@@H]1C[C@@H](c2ccc(Br)cc2)C[N@@H+]1C[C@@H](O)C1(O)CCOCC1 ZINC000931265900 664789762 /nfs/dbraw/zinc/78/97/62/664789762.db2.gz JDWSAUFMLOKJON-FRFSOERESA-N 1 0 384.314 2.529 20 0 GFADRO Cc1ccc(NC(=O)CN2C[C@]3(C)C[NH+](C)C[C@@]3(C)C2)c(Br)c1 ZINC000931312051 664791048 /nfs/dbraw/zinc/79/10/48/664791048.db2.gz UCWHYYCDGABWTM-ROUUACIJSA-N 1 0 380.330 2.970 20 0 GFADRO Cc1ccc([C@@H](CNC(=O)c2ncc(Br)cn2)[NH+]2CCCC2)o1 ZINC000931472955 664795792 /nfs/dbraw/zinc/79/57/92/664795792.db2.gz XFVPNNDNUOTOTO-CYBMUJFWSA-N 1 0 379.258 2.707 20 0 GFADRO COc1cccc([C@@H]2CN(Cc3ccc(Br)nc3N)CC[NH2+]2)c1 ZINC000931546751 664798015 /nfs/dbraw/zinc/79/80/15/664798015.db2.gz IZIZUUIPKRFFHT-HNNXBMFYSA-N 1 0 377.286 2.581 20 0 GFADRO CCOC(=O)c1nc(NC(=O)NC[C@@H]2CC[N@@H+]2CC)sc1C(F)(F)F ZINC000931599870 664800672 /nfs/dbraw/zinc/80/06/72/664800672.db2.gz WIWNDTAQMFIZEB-QMMMGPOBSA-N 1 0 380.392 2.554 20 0 GFADRO COc1ccccc1C[C@](C)(CO)[NH2+]Cc1ccc(Br)nc1N ZINC000931605037 664800752 /nfs/dbraw/zinc/80/07/52/664800752.db2.gz HWJWHTUNFMBVRO-QGZVFWFLSA-N 1 0 380.286 2.518 20 0 GFADRO O=C(c1cnnn1-c1cccc(Cl)c1Cl)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000931654220 664801883 /nfs/dbraw/zinc/80/18/83/664801883.db2.gz ZHXPGIWIDFWKBZ-GFCCVEGCSA-N 1 0 380.279 2.884 20 0 GFADRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)c1ncc(Br)cn1 ZINC000931716337 664803364 /nfs/dbraw/zinc/80/33/64/664803364.db2.gz JUVSHPNUYMNVHB-UHFFFAOYSA-N 1 0 377.286 2.963 20 0 GFADRO O=C(c1ncc(Br)cn1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000931873560 664806648 /nfs/dbraw/zinc/80/66/48/664806648.db2.gz QPVJTCUZTQYVQA-CQSZACIVSA-N 1 0 381.318 2.967 20 0 GFADRO CN(CC1CC[NH+](C)CC1)C(=O)c1cc2cc(Br)cnc2n1C ZINC000931960090 664808023 /nfs/dbraw/zinc/80/80/23/664808023.db2.gz CDHVBZJDXGBPRU-UHFFFAOYSA-N 1 0 379.302 2.750 20 0 GFADRO C[C@@]1([C@H]2CCC[N@H+](C[C@@H](O)c3ccc(Br)cc3)C2)COC(=O)N1 ZINC000932016659 664808956 /nfs/dbraw/zinc/80/89/56/664808956.db2.gz OEIHJLMDMWSYTC-LXZKKBNFSA-N 1 0 383.286 2.693 20 0 GFADRO Cn1nc(C(F)(F)F)c(CN2CCC([C@@]3(C)COC(=O)N3)CC2)c1Cl ZINC000932098213 664810096 /nfs/dbraw/zinc/81/00/96/664810096.db2.gz IKBGICISTMEXID-CQSZACIVSA-N 1 0 380.798 2.803 20 0 GFADRO COc1ncc(Br)cc1CN1CCC([C@@]2(C)COC(=O)N2)CC1 ZINC000932100095 664810112 /nfs/dbraw/zinc/81/01/12/664810112.db2.gz NYELCMJKJGDTFP-MRXNPFEDSA-N 1 0 384.274 2.563 20 0 GFADRO COc1cc(Br)ccc1NC(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000932177989 664812102 /nfs/dbraw/zinc/81/21/02/664812102.db2.gz IAXVIRWXLINJBW-GJZGRUSLSA-N 1 0 398.301 2.521 20 0 GFADRO CCO[C@H](CNC(=O)Nc1cc(C(C)=O)ccc1Br)C[NH+](C)C ZINC000932220895 664814791 /nfs/dbraw/zinc/81/47/91/664814791.db2.gz ODTPTAOLHKXLMP-CYBMUJFWSA-N 1 0 386.290 2.740 20 0 GFADRO O=C(NCCCCC[NH+]1CCCCC1)C1(n2cc(Br)cn2)CC1 ZINC000932523184 664824522 /nfs/dbraw/zinc/82/45/22/664824522.db2.gz NTIJRNYUBQIEEW-UHFFFAOYSA-N 1 0 383.334 2.907 20 0 GFADRO CSCC1CCN(CC(=O)NC[C@@H](C)[NH+]2CCC(CSC)CC2)CC1 ZINC000932586543 664829540 /nfs/dbraw/zinc/82/95/40/664829540.db2.gz ZKYAMJOWVYUXOE-MRXNPFEDSA-N 1 0 387.659 2.641 20 0 GFADRO C[C@@H](CNC(=O)C/C=C/c1ccc(Br)cc1)C[NH+]1CCN(C)CC1 ZINC000932714719 664832633 /nfs/dbraw/zinc/83/26/33/664832633.db2.gz PVUVSHOREHGWFL-CWDCEQMOSA-N 1 0 394.357 2.852 20 0 GFADRO Cc1ncc(NC(=O)N2CCOC3(CC[NH+](C)CC3)C2)c(C)c1Br ZINC000932771091 664836607 /nfs/dbraw/zinc/83/66/07/664836607.db2.gz SZAVPESKHISYHF-UHFFFAOYSA-N 1 0 397.317 2.789 20 0 GFADRO C[C@@H](C(=O)N1CC[C@H](C[NH+](C)C)C1)c1ccc(I)cc1 ZINC000932796261 664839067 /nfs/dbraw/zinc/83/90/67/664839067.db2.gz WHFUPUAMSTWPBW-CHWSQXEVSA-N 1 0 386.277 2.805 20 0 GFADRO C[C@@H](C(=O)N1CC[C@@H](C[NH+](C)C)C1)c1ccc(I)cc1 ZINC000932796262 664839113 /nfs/dbraw/zinc/83/91/13/664839113.db2.gz WHFUPUAMSTWPBW-OLZOCXBDSA-N 1 0 386.277 2.805 20 0 GFADRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)c2ncc(Br)cn2)C1 ZINC000932802379 664839295 /nfs/dbraw/zinc/83/92/95/664839295.db2.gz SQZCJEXSSCHTMK-UONOGXRCSA-N 1 0 381.318 2.966 20 0 GFADRO O[C@H]1CCOC2(CC[NH+](Cc3cn4cc(Br)ccc4n3)CC2)C1 ZINC000933063872 664848781 /nfs/dbraw/zinc/84/87/81/664848781.db2.gz RKKIAMJESZLKKH-HNNXBMFYSA-N 1 0 380.286 2.603 20 0 GFADRO O=C(c1cnn2cccc(Br)c12)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000933331000 664859347 /nfs/dbraw/zinc/85/93/47/664859347.db2.gz BMJIAAPLTSZVSF-ZDUSSCGKSA-N 1 0 377.286 2.655 20 0 GFADRO O=S(=O)(CC[NH2+][C@]12C[C@H]1COC21CCC1)c1cccc(Br)c1 ZINC000933392158 664861950 /nfs/dbraw/zinc/86/19/50/664861950.db2.gz IPPCXEPQYHTJOS-BLLLJJGKSA-N 1 0 386.311 2.524 20 0 GFADRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C[C@@H]1C(=O)Nc2c1cccc2Br ZINC000933437281 664864009 /nfs/dbraw/zinc/86/40/09/664864009.db2.gz ZVSVGABKBLRTMA-ZLDLUXBVSA-N 1 0 394.313 2.674 20 0 GFADRO C[C@@](CO)(Cc1ccc(Br)cc1)[NH2+]C[C@@H]1CC2(CO1)CCOCC2 ZINC000933440252 664864430 /nfs/dbraw/zinc/86/44/30/664864430.db2.gz KANMCKVZKJXSSH-ROUUACIJSA-N 1 0 398.341 2.918 20 0 GFADRO C[C@](CO)(Cc1ccc(Br)cc1)[NH2+]Cc1cn(CC2CC2)nn1 ZINC000933440741 664864659 /nfs/dbraw/zinc/86/46/59/664864659.db2.gz NCRFYUUSIKYAMT-QGZVFWFLSA-N 1 0 379.302 2.534 20 0 GFADRO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2cccc(Br)n2)cc1OC ZINC000933447507 664865079 /nfs/dbraw/zinc/86/50/79/664865079.db2.gz FHYQDBBSCWUXCA-SFHVURJKSA-N 1 0 395.297 2.945 20 0 GFADRO C[N@@H+]1C[C@@H]2CN(Cc3nnc(-c4ccc(Br)s4)o3)C[C@]2(C)C1 ZINC000933748248 664876900 /nfs/dbraw/zinc/87/69/00/664876900.db2.gz ROFOPFPGVYVJJX-BMIGLBTASA-N 1 0 383.315 2.944 20 0 GFADRO C[C@H](NC(=O)CN1C[C@@H]2C[N@H+](C)C[C@]2(C)C1)c1ccc(Br)cc1 ZINC000933748041 664876933 /nfs/dbraw/zinc/87/69/33/664876933.db2.gz PGTNFDAFFCSKFD-DHSIGJKJSA-N 1 0 380.330 2.510 20 0 GFADRO C[C@@H](NC(=O)CN1C[C@@H]2C[N@H+](C)C[C@]2(C)C1)c1ccc(Br)cc1 ZINC000933748045 664876941 /nfs/dbraw/zinc/87/69/41/664876941.db2.gz PGTNFDAFFCSKFD-QIIPPGSGSA-N 1 0 380.330 2.510 20 0 GFADRO COCCOc1ccc(NC(=O)N[C@H]2CCC[N@H+](C)C2)cc1Br ZINC000933984950 664884806 /nfs/dbraw/zinc/88/48/06/664884806.db2.gz DDIHSECHVLRIEQ-ZDUSSCGKSA-N 1 0 386.290 2.690 20 0 GFADRO CN1CCN(Cc2ccc(Br)c3cccnc23)CC[N@H+](C)CC1 ZINC000933993042 664885970 /nfs/dbraw/zinc/88/59/70/664885970.db2.gz UOYHXFUYILJRRI-UHFFFAOYSA-N 1 0 377.330 2.677 20 0 GFADRO CO[C@@H]1CCOC[C@H]1[NH2+][C@@H](C)C(=O)N[C@H](C)c1ccc(Cl)cc1Cl ZINC000934042495 664888521 /nfs/dbraw/zinc/88/85/21/664888521.db2.gz UMANUNJNWWATRZ-OXUXUCFPSA-N 1 0 375.296 2.953 20 0 GFADRO C[C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000934260972 664895141 /nfs/dbraw/zinc/89/51/41/664895141.db2.gz BTEXNRNYKPYXIR-JLZZUVOBSA-N 1 0 386.323 2.851 20 0 GFADRO CCOc1cc(C[N@@H+]2CCCSC[C@@H]2C)nc2nc(C(F)(F)F)nn21 ZINC000934303204 664898117 /nfs/dbraw/zinc/89/81/17/664898117.db2.gz RLUXSLZHNBAYKF-JTQLQIEISA-N 1 0 375.420 2.869 20 0 GFADRO Cc1ccc(Br)c(C(=O)NCCCC[NH+]2C[C@H](C)O[C@@H](C)C2)n1 ZINC000934308690 664898356 /nfs/dbraw/zinc/89/83/56/664898356.db2.gz MUJQPPCXBOMQHM-KBPBESRZSA-N 1 0 384.318 2.772 20 0 GFADRO C[C@](O)(C[NH2+][C@H]1CCOC12CCOCC2)c1ccc(Br)cc1F ZINC000934404043 664905919 /nfs/dbraw/zinc/90/59/19/664905919.db2.gz XMDOTAQBVFCYSR-HOTGVXAUSA-N 1 0 388.277 2.723 20 0 GFADRO O[C@@H](C[NH2+][C@@H]1CCOC12CCOCC2)COc1cc(Cl)cc(Cl)c1 ZINC000934403110 664905940 /nfs/dbraw/zinc/90/59/40/664905940.db2.gz ULJVZBZRMDBPCE-GOEBONIOSA-N 1 0 376.280 2.661 20 0 GFADRO C[C@H]([NH2+][C@H]1CCOC12CCOCC2)C(=O)Nc1cccc(Br)c1 ZINC000934409393 664906101 /nfs/dbraw/zinc/90/61/01/664906101.db2.gz VGMKMOYDRAKYGF-WFASDCNBSA-N 1 0 383.286 2.704 20 0 GFADRO C[C@](CO)([NH2+]CC(=O)NC(C1CC1)C1CC1)c1cccc(Br)c1 ZINC000934496609 664908820 /nfs/dbraw/zinc/90/88/20/664908820.db2.gz MRRGOEBRHCGTCW-GOSISDBHSA-N 1 0 381.314 2.551 20 0 GFADRO C[C@](CO)([NH2+]Cc1ccc(S(C)(=O)=O)cc1)c1cccc(Br)c1 ZINC000934496634 664908849 /nfs/dbraw/zinc/90/88/49/664908849.db2.gz XNGBAYBQUVGQNC-QGZVFWFLSA-N 1 0 398.322 2.850 20 0 GFADRO O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)c1ncc(C(F)(F)F)cc1Cl ZINC000934723313 664915861 /nfs/dbraw/zinc/91/58/61/664915861.db2.gz BMGYUIHLOKONSG-LBPRGKRZSA-N 1 0 377.794 2.737 20 0 GFADRO OC[C@H]([NH2+]C[C@@H]1C[C@H]2CCC[C@@H]2O1)c1ccccc1I ZINC000934825385 664924002 /nfs/dbraw/zinc/92/40/02/664924002.db2.gz CWCGHCOWBJDJBI-KNPMLCFXSA-N 1 0 387.261 2.872 20 0 GFADRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3nc(Br)c4ccccn43)CC[C@H]21 ZINC000934890317 664928358 /nfs/dbraw/zinc/92/83/58/664928358.db2.gz MSJISYQNBPIFGA-QWHCGFSZSA-N 1 0 377.286 2.653 20 0 GFADRO O=C(c1cc(=O)[nH]cc1Br)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000935013253 664934148 /nfs/dbraw/zinc/93/41/48/664934148.db2.gz QUQZLQOMDCKYLQ-IAQYHMDHSA-N 1 0 380.286 2.639 20 0 GFADRO C[N@@H+]1CCCC12CCN(C(=O)[C@](C)(O)c1ccc(F)c(Br)c1)CC2 ZINC000935219957 664946582 /nfs/dbraw/zinc/94/65/82/664946582.db2.gz UNOAXEYTKYBQHB-QGZVFWFLSA-N 1 0 399.304 2.883 20 0 GFADRO C[NH+]1CCC(CCO)(NC(=O)c2nccc3c(Br)cccc32)CC1 ZINC000935269774 664949629 /nfs/dbraw/zinc/94/96/29/664949629.db2.gz GRIMLRWZBSXUIA-UHFFFAOYSA-N 1 0 392.297 2.574 20 0 GFADRO C[C@@H](NC(=O)C[C@@H]1C(=O)Nc2ccc(Br)cc21)C1=CC[N@H+](C)CC1 ZINC000935311897 664952602 /nfs/dbraw/zinc/95/26/02/664952602.db2.gz FPTQXNHBHFUIFX-ABAIWWIYSA-N 1 0 392.297 2.642 20 0 GFADRO C[C@H](NC(=O)c1cc(=O)n(C)cc1Br)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000935314333 664952880 /nfs/dbraw/zinc/95/28/80/664952880.db2.gz CYQUOGXFKGAGBS-QWHCGFSZSA-N 1 0 396.329 2.531 20 0 GFADRO CS[C@H]1CN(C(=O)c2cnc(Br)c(C)c2)C[C@H]1[NH+]1CCCC1 ZINC000935367621 664957037 /nfs/dbraw/zinc/95/70/37/664957037.db2.gz MZCDXOUJVGLXDR-KGLIPLIRSA-N 1 0 384.343 2.804 20 0 GFADRO CCN(CCC[NH+](C)C)C(=O)C[C@@H]1C(=O)Nc2ccc(Br)cc21 ZINC000935581095 664971486 /nfs/dbraw/zinc/97/14/86/664971486.db2.gz JDROOVIBYKIRFX-AWEZNQCLSA-N 1 0 382.302 2.675 20 0 GFADRO O=C(c1ccc(C[NH+]2CCCCC2)o1)N1CCn2c(Br)cnc2C1 ZINC000935651149 664977915 /nfs/dbraw/zinc/97/79/15/664977915.db2.gz NYOIWTQKNCOECP-UHFFFAOYSA-N 1 0 393.285 2.881 20 0 GFADRO CCOc1ccc(Br)c(C(=O)NOC2CC[NH+](C)CC2)c1F ZINC000935841896 664992372 /nfs/dbraw/zinc/99/23/72/664992372.db2.gz INLZUZMQHOJLJX-UHFFFAOYSA-N 1 0 375.238 2.743 20 0 GFADRO COc1cc(Br)cc(C(=O)N2CCC([N@@H+]3CCOC[C@H]3C)CC2)c1 ZINC000936064721 665006883 /nfs/dbraw/zinc/00/68/83/665006883.db2.gz VZTTXSYADONKAV-CYBMUJFWSA-N 1 0 397.313 2.783 20 0 GFADRO C[C@@H]1[C@H](C(=O)N[C@@H]2CCCC[C@H]2NC(=O)c2cc(Cl)cs2)CC[N@@H+]1C ZINC000976667830 665017050 /nfs/dbraw/zinc/01/70/50/665017050.db2.gz IJHXTUYOFIZMEY-NMFUWQPSSA-N 1 0 383.945 2.899 20 0 GFADRO O=C([C@@H]1OC[C@@H]2CCC[C@@H]21)N1CCC[N@@H+](CC[C@H]2CC2(Cl)Cl)CC1 ZINC000981639806 665018113 /nfs/dbraw/zinc/01/81/13/665018113.db2.gz ZIJGJCINKIJILS-YHUYYLMFSA-N 1 0 375.340 2.920 20 0 GFADRO Cc1csc(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)C3)c1Cl ZINC000995917940 665026902 /nfs/dbraw/zinc/02/69/02/665026902.db2.gz LBDDEJNVWZJIFQ-ZOBORPQBSA-N 1 0 381.929 2.666 20 0 GFADRO C[N@@H+]1CCCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1sccc1Cl)C2 ZINC000997303052 665035476 /nfs/dbraw/zinc/03/54/76/665035476.db2.gz VPIPUBGTBKCYIJ-UNQGMJICSA-N 1 0 381.929 2.748 20 0 GFADRO C[N@@H+]1CC[C@@H](CC(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ccc(Cl)s2)C3)C1 ZINC001000585621 665047167 /nfs/dbraw/zinc/04/71/67/665047167.db2.gz JYZLQVVSLQBKKO-CRWXNKLISA-N 1 0 381.929 2.605 20 0 GFADRO Cc1csc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@H]2CCC[N@H+]2C)c1Cl ZINC001002965399 665058411 /nfs/dbraw/zinc/05/84/11/665058411.db2.gz ZVUQZHDLPOLBPD-MQYQWHSLSA-N 1 0 381.929 2.666 20 0 GFADRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2ccc(Br)s2)C1)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001022451667 665073935 /nfs/dbraw/zinc/07/39/35/665073935.db2.gz DSJUIGXSLVREOM-OTTRLCICSA-N 1 0 397.338 2.671 20 0 GFADRO C[C@@H]1C[C@@H](N(C)C(=O)C(=O)Nc2nc(-c3cccs3)cs2)CC[N@@H+]1C ZINC000120481907 677396568 /nfs/dbraw/zinc/39/65/68/677396568.db2.gz WIQORMQPTAWLPH-NEPJUHHUSA-N 1 0 378.523 2.751 20 0 GFADRO CC[NH+]1CCN([C@H](C)CNC(=O)[C@@H](C)Oc2ccc(Cl)c(Cl)c2)CC1 ZINC000120878090 677398250 /nfs/dbraw/zinc/39/82/50/677398250.db2.gz BIIUZJIAHYNGJF-ZIAGYGMSSA-N 1 0 388.339 2.903 20 0 GFADRO O=S(=O)(NC[C@H]1CCC[N@@H+]1Cc1ccccc1)c1cnc(Cl)c(F)c1 ZINC000390803213 677408739 /nfs/dbraw/zinc/40/87/39/677408739.db2.gz TULIQSLZOUMTQV-CQSZACIVSA-N 1 0 383.876 2.817 20 0 GFADRO Cn1ncc(Br)c1C[NH2+][C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C1(C)C ZINC000397868796 677411926 /nfs/dbraw/zinc/41/19/26/677411926.db2.gz DYBRCYQULAYRDU-CHWSQXEVSA-N 1 0 387.322 2.964 20 0 GFADRO CC[C@@H](C)[N@H+](C)CCNc1cnn(CC(F)(F)F)c(=O)c1Br ZINC000390234823 677673074 /nfs/dbraw/zinc/67/30/74/677673074.db2.gz QFCWZPDSUVAFMU-SECBINFHSA-N 1 0 385.228 2.710 20 0 GFADRO C[C@@H]1CN([C@@H](C[NH2+]C[C@H](O)C(F)(F)F)c2c(F)cccc2Cl)CCO1 ZINC000579827098 677673592 /nfs/dbraw/zinc/67/35/92/677673592.db2.gz GMORWZAZXFHVBL-SWHYSGLUSA-N 1 0 384.801 2.754 20 0 GFADRO Cc1nsc(N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2sccc2C[NH+](C)C)C3)n1 ZINC001055397913 677675428 /nfs/dbraw/zinc/67/54/28/677675428.db2.gz PFSFTCKPPHBZOI-MCIONIFRSA-N 1 0 377.539 2.509 20 0 GFADRO C[C@@H]1C[N@H+](CCn2cccn2)C[C@H]1NC(=O)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC001080323542 677676312 /nfs/dbraw/zinc/67/63/12/677676312.db2.gz VJKQEBVRLPTIIA-KBUPBQIOSA-N 1 0 378.929 2.838 20 0 GFADRO FC(F)(c1cc(-c2cccs2)nnc1Cl)N1CC[C@@H]2[NH2+]CCO[C@H]2C1 ZINC001164390311 718824765 /nfs/dbraw/zinc/82/47/65/718824765.db2.gz NVIKBUJSIBOVKV-AAEUAGOBSA-N 1 0 386.855 2.971 20 0 GFADRO FC(F)(c1nc(Cl)c2cc(Cl)ccc2n1)N1CCN2CC[NH2+]C[C@H]2C1 ZINC001164392580 718830946 /nfs/dbraw/zinc/83/09/46/718830946.db2.gz QBNMIOCDRMVJJZ-NSHDSACASA-N 1 0 388.249 2.575 20 0 GFADRO FC(F)(c1nc(Cl)nc2[nH]cnc21)N1C[C@H]2c3ccccc3C[NH2+][C@@H]2C1 ZINC001164424554 718945516 /nfs/dbraw/zinc/94/55/16/718945516.db2.gz PFPCJWCYHYFZGO-NWDGAFQWSA-N 1 0 376.798 2.578 20 0 GFADRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@@H]2N1C(F)(F)c1cc(Cl)nc(Cl)c1 ZINC001164614476 719012447 /nfs/dbraw/zinc/01/24/47/719012447.db2.gz FLNANNKTEBPGFL-LSJOCFKGSA-N 1 0 380.222 2.663 20 0 GFADRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(F)(F)C1(c2ccc(Cl)nc2)CC1 ZINC001164617140 719019596 /nfs/dbraw/zinc/01/95/96/719019596.db2.gz MNKVICIDYGIKRY-FPMFFAJLSA-N 1 0 385.842 2.585 20 0 GFADRO CCOC(=O)C1CC[NH+](C2CCN(c3ncc(C)c(NC(C)C)n3)CC2)CC1 ZINC001164614502 719020821 /nfs/dbraw/zinc/02/08/21/719020821.db2.gz FSWJKUXUVPXFPU-UHFFFAOYSA-N 1 0 389.544 2.849 20 0 GFADRO COC(=O)c1ccc(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)nc1OC ZINC001164626580 719060838 /nfs/dbraw/zinc/06/08/38/719060838.db2.gz OQYUIQAJLBDFNM-MJGOQNOKSA-N 1 0 381.476 2.978 20 0 GFADRO COC(=O)c1ccc(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)nc1OC ZINC001164626578 719061473 /nfs/dbraw/zinc/06/14/73/719061473.db2.gz OQYUIQAJLBDFNM-IEBWSBKVSA-N 1 0 381.476 2.978 20 0 GFADRO COC(=O)c1c[nH]c2ncnc(N3CCC[C@H]4C[N@H+](Cc5ccccc5)C[C@H]43)c12 ZINC001164625083 719083818 /nfs/dbraw/zinc/08/38/18/719083818.db2.gz MQGBJDHUVNGPIR-FUHWJXTLSA-N 1 0 391.475 2.845 20 0 GFADRO C[C@H]1C[N@H+](C)[C@@H](C)CN1c1ccc(S(=O)(=O)Nc2cc(F)ccc2F)cn1 ZINC001164633313 719244822 /nfs/dbraw/zinc/24/48/22/719244822.db2.gz KTVKPWIQHGDCGR-STQMWFEESA-N 1 0 396.463 2.689 20 0 GFADRO Cc1noc([C@@H]2C[C@@H]3CCN(c4cccc(OCC[NH+]5CCCC5)n4)C[C@H]3O2)n1 ZINC001164654719 719300195 /nfs/dbraw/zinc/30/01/95/719300195.db2.gz RODFNAVXTICRIV-OKZBNKHCSA-N 1 0 399.495 2.604 20 0 GFADRO CCOC(=O)c1cnc(Cl)cc1-n1nc(CN(C)C(C)C)c2c1C[NH2+]CC2 ZINC001164685053 719603455 /nfs/dbraw/zinc/60/34/55/719603455.db2.gz QLJJIZQARLGPGQ-UHFFFAOYSA-N 1 0 391.903 2.583 20 0 GFADRO CC(C)N(C)Cc1nn(-c2ccc(-c3ccc(F)cc3)nn2)c2c1CC[NH2+]C2 ZINC001164679758 719643209 /nfs/dbraw/zinc/64/32/09/719643209.db2.gz MAYMDCVOGSINLY-UHFFFAOYSA-N 1 0 380.471 2.954 20 0 GFADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1cc(C)c3cc(OC)ccc3n1)CC2 ZINC001164686774 719720606 /nfs/dbraw/zinc/72/06/06/719720606.db2.gz RXFFRCYZQIBZBC-UHFFFAOYSA-N 1 0 382.508 2.733 20 0 GFADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1cc(Cl)nc3[nH]cc(C)c31)CC2 ZINC001164690302 719736801 /nfs/dbraw/zinc/73/68/01/719736801.db2.gz YXESESUIDCQDJD-UHFFFAOYSA-N 1 0 375.904 2.706 20 0 GFADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncnc3cc[nH]c31)CC2 ZINC001164710195 720095048 /nfs/dbraw/zinc/09/50/48/720095048.db2.gz HBJGMQAYBAGNLB-SFHVURJKSA-N 1 0 392.507 2.860 20 0 GFADRO COCc1cc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COC)nc(SC)n1 ZINC001164811055 720112027 /nfs/dbraw/zinc/11/20/27/720112027.db2.gz KRLQOTYJCJGLQO-OXQOHEQNSA-N 1 0 392.569 2.530 20 0 GFADRO CCOC(=O)c1c(C)ccnc1N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COC ZINC001164811726 720148003 /nfs/dbraw/zinc/14/80/03/720148003.db2.gz NBDPABHMAWJVQI-PGRDOPGGSA-N 1 0 387.524 2.751 20 0 GFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cc3nc(C(=O)OC)cc-3c[nH]1)C2 ZINC001164815589 720152314 /nfs/dbraw/zinc/15/23/14/720152314.db2.gz IJSVSBNSDQIBBY-VGSWGCGISA-N 1 0 398.507 2.534 20 0 GFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nnc(OC)c3ccccc31)C2 ZINC001164817730 720164562 /nfs/dbraw/zinc/16/45/62/720164562.db2.gz PXPJDMCXACNCGK-VGSWGCGISA-N 1 0 382.508 2.823 20 0 GFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ncnc3cccc(OC)c31)C2 ZINC001164813591 720173165 /nfs/dbraw/zinc/17/31/65/720173165.db2.gz CMKCJFXXSFIBIC-JTSKRJEESA-N 1 0 382.508 2.823 20 0 GFADRO Cc1cnc(N2CCCn3c(=O)cc(C[N@@H+](C)C(C)C)nc3C2)c(Cl)c1 ZINC001164811373 720212553 /nfs/dbraw/zinc/21/25/53/720212553.db2.gz GTGQLJVYLWUXAM-UHFFFAOYSA-N 1 0 375.904 2.851 20 0 GFADRO Cc1cc(N2CCCn3c(=O)cc(C[N@@H+](C)C(C)C)nc3C2)ncc1Cl ZINC001164812169 720217121 /nfs/dbraw/zinc/21/71/21/720217121.db2.gz FVGLKXOCRLGTJC-UHFFFAOYSA-N 1 0 375.904 2.851 20 0 GFADRO O=C1N(CC2CC2)CC[C@@]12CCCN(c1cccc(OCC[NH+]3CCCC3)n1)C2 ZINC001164821237 720279818 /nfs/dbraw/zinc/27/98/18/720279818.db2.gz ZMFJBGXYAWPWEG-HSZRJFAPSA-N 1 0 398.551 2.785 20 0 GFADRO Cc1ccc2ncnc(N3CC[C@@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)c2c1 ZINC001164819637 720305532 /nfs/dbraw/zinc/30/55/32/720305532.db2.gz FKIHQAUMXYQPRM-NHCUHLMSSA-N 1 0 393.535 2.850 20 0 GFADRO Cc1nc(N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)ccc1Cl ZINC001164819613 720311715 /nfs/dbraw/zinc/31/17/15/720311715.db2.gz FBVIQGPAQJOQIK-QZTJIDSGSA-N 1 0 376.932 2.955 20 0 GFADRO Cc1nc(N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)ccc1Cl ZINC001164819612 720312211 /nfs/dbraw/zinc/31/22/11/720312211.db2.gz FBVIQGPAQJOQIK-MSOLQXFVSA-N 1 0 376.932 2.955 20 0 GFADRO Cc1cccc2ncc(N3CC[C@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)nc12 ZINC001164820702 720313727 /nfs/dbraw/zinc/31/37/27/720313727.db2.gz IDESMEHBEPJIIL-PMACEKPBSA-N 1 0 393.535 2.850 20 0 GFADRO CC(C)Oc1cccc(N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164832894 720323896 /nfs/dbraw/zinc/32/38/96/720323896.db2.gz URPZMMNPXDIALG-RTBURBONSA-N 1 0 386.540 2.780 20 0 GFADRO Cc1nc(N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc(C)c1Cl ZINC001164823348 720324948 /nfs/dbraw/zinc/32/49/48/720324948.db2.gz ASIBROZSZFOYPW-SJORKVTESA-N 1 0 391.947 2.658 20 0 GFADRO Cc1csc2cnc(N3CC[C@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)nc12 ZINC001164832971 720334237 /nfs/dbraw/zinc/33/42/37/720334237.db2.gz VBVVYFCUWAGVKS-IRXDYDNUSA-N 1 0 399.564 2.911 20 0 GFADRO Cc1nnc(N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c2ccccc12 ZINC001164821718 720336863 /nfs/dbraw/zinc/33/68/63/720336863.db2.gz BOERERHGTQRADH-NHCUHLMSSA-N 1 0 393.535 2.850 20 0 GFADRO COc1ccc2nc(Cl)nc(N3Cc4nccn4C[C@H](C[NH+](C)C)C3)c2c1 ZINC001164727085 720505080 /nfs/dbraw/zinc/50/50/80/720505080.db2.gz ATKHMTNCMNSRDS-ZDUSSCGKSA-N 1 0 386.887 2.686 20 0 GFADRO COc1cnnc(Cl)c1N1CC[C@@H]2[C@H](C[C@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164833908 720540499 /nfs/dbraw/zinc/54/04/99/720540499.db2.gz CCVPEQNUTBPKKN-BZUAXINKSA-N 1 0 390.919 2.713 20 0 GFADRO Clc1nnc(N2CCc3ncc(C[NH+]4CCCC4)n3CC2)c2ncccc12 ZINC001164727035 720564655 /nfs/dbraw/zinc/56/46/55/720564655.db2.gz AKYLOJVSEMYPAC-UHFFFAOYSA-N 1 0 383.887 2.533 20 0 GFADRO Cc1nc2cc(Cl)ccc2c(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)n1 ZINC001164743723 720702092 /nfs/dbraw/zinc/70/20/92/720702092.db2.gz XWSRMZFTEVZBOE-HOTGVXAUSA-N 1 0 396.882 2.724 20 0 GFADRO Fc1cnc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c(Cl)c1 ZINC001164739188 720823156 /nfs/dbraw/zinc/82/31/56/720823156.db2.gz HOXDDMZOTVYJIB-UWWQBHOKSA-N 1 0 390.894 2.845 20 0 GFADRO CC(C)c1ccc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nn1 ZINC001164737439 720823168 /nfs/dbraw/zinc/82/31/68/720823168.db2.gz BFDQRSSRIJSCRL-NLWGTHIKSA-N 1 0 381.528 2.571 20 0 GFADRO CCCCc1cc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)ncn1 ZINC001164748195 720854597 /nfs/dbraw/zinc/85/45/97/720854597.db2.gz LCXRQUJTGRBGDP-SESVDKBCSA-N 1 0 395.555 2.790 20 0 GFADRO COCC[N@@H+]1CCO[C@@H]2CN(c3nc(C)nc4cc(Cl)ccc43)CC[C@H]2C1 ZINC001164853532 720856728 /nfs/dbraw/zinc/85/67/28/720856728.db2.gz GXNLJMKOEJCINF-HNAYVOBHSA-N 1 0 390.915 2.765 20 0 GFADRO COCC[N@@H+]1CCO[C@H]2CN(c3nc(C)nc4cc(Cl)ccc43)CC[C@@H]2C1 ZINC001164853530 720856865 /nfs/dbraw/zinc/85/68/65/720856865.db2.gz GXNLJMKOEJCINF-BEFAXECRSA-N 1 0 390.915 2.765 20 0 GFADRO COCC[N@@H+]1CCO[C@@H]2CN(c3nc(SC)nc4ccccc43)CC[C@H]2C1 ZINC001164858932 720859626 /nfs/dbraw/zinc/85/96/26/720859626.db2.gz SYRFLHOQCIIHLO-MAUKXSAKSA-N 1 0 388.537 2.525 20 0 GFADRO COCC[N@@H+]1CCO[C@H]2CN(c3nc(Cl)nc4cccc(C)c43)CC[C@@H]2C1 ZINC001164860258 720866761 /nfs/dbraw/zinc/86/67/61/720866761.db2.gz WCVFBXZNXGQZKJ-WBVHZDCISA-N 1 0 390.915 2.765 20 0 GFADRO COCC[N@@H+]1CCO[C@@H]2CN(c3ccc(-c4cc(C)ccc4C)nn3)CC[C@@H]2C1 ZINC001164863652 720879768 /nfs/dbraw/zinc/87/97/68/720879768.db2.gz TYJZDPTZAMCAPO-DENIHFKCSA-N 1 0 396.535 2.934 20 0 GFADRO COc1cc(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@@H]2C)nc(SC)n1 ZINC001164857640 720961387 /nfs/dbraw/zinc/96/13/87/720961387.db2.gz GSRAGKJZQSZGBS-ZDUSSCGKSA-N 1 0 376.530 2.825 20 0 GFADRO FC(F)(c1ccnc(Cl)n1)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164865890 721039824 /nfs/dbraw/zinc/03/98/24/721039824.db2.gz BHIVNTJRTUHFHB-LSDHHAIUSA-N 1 0 395.841 2.550 20 0 GFADRO Clc1cnc(Cl)nc1N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164868665 721050786 /nfs/dbraw/zinc/05/07/86/721050786.db2.gz PGKFDGJSOMEQMO-KGLIPLIRSA-N 1 0 380.279 2.658 20 0 GFADRO Clc1cc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)nc(C2CC2)n1 ZINC001164867710 721056099 /nfs/dbraw/zinc/05/60/99/721056099.db2.gz JTEWMCXUUXLBKY-DLBZAZTESA-N 1 0 385.899 2.882 20 0 GFADRO CSc1ncc(Cl)c(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164868192 721059514 /nfs/dbraw/zinc/05/95/14/721059514.db2.gz NOHTTYYOLFMJAF-GJZGRUSLSA-N 1 0 391.928 2.727 20 0 GFADRO Clc1ccc2c(ncnc2N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164868771 721060207 /nfs/dbraw/zinc/06/02/07/721060207.db2.gz QHVYASYNQAZCCY-JKSUJKDBSA-N 1 0 396.882 2.553 20 0 GFADRO COc1cccc2c1ncnc2N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164865860 721062603 /nfs/dbraw/zinc/06/26/03/721062603.db2.gz ARWXSTWUBSZSRO-QZTJIDSGSA-N 1 0 391.475 2.513 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(C(F)(F)c4ccc(Cl)nc4)C[C@@H]3C2)cn1 ZINC001164761561 721068757 /nfs/dbraw/zinc/06/87/57/721068757.db2.gz BVTCCRXVZMEAHD-CABCVRRESA-N 1 0 381.858 2.972 20 0 GFADRO Cc1cc(Cl)nc(C(F)(F)N2C[C@@H]3C[N@H+](Cc4cnn(C)c4)CC[C@@H]3C2)n1 ZINC001164761626 721078849 /nfs/dbraw/zinc/07/88/49/721078849.db2.gz CFRPAOPLSWXARB-CABCVRRESA-N 1 0 396.873 2.675 20 0 GFADRO Clc1nc2cccnc2nc1N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164865490 721086647 /nfs/dbraw/zinc/08/66/47/721086647.db2.gz LTJCUPPRWFCXEF-CVEARBPZSA-N 1 0 396.882 2.553 20 0 GFADRO CSc1nc(Cl)ncc1N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164865693 721087324 /nfs/dbraw/zinc/08/73/24/721087324.db2.gz OKIJEJWIROJSSV-LSDHHAIUSA-N 1 0 391.928 2.727 20 0 GFADRO Fc1cccc2ncnc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)c12 ZINC001164865580 721097118 /nfs/dbraw/zinc/09/71/18/721097118.db2.gz NDQKLAYGSMGMRG-IRXDYDNUSA-N 1 0 379.439 2.644 20 0 GFADRO CC(C)n1ccc2c1ncnc2N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164872274 721130058 /nfs/dbraw/zinc/13/00/58/721130058.db2.gz HGATUYLDRABUIJ-RTBURBONSA-N 1 0 392.507 2.887 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4ccc5c(Cl)ccnc5n4)C[C@H]3C2)cn1 ZINC001164772733 721152926 /nfs/dbraw/zinc/15/29/26/721152926.db2.gz VSADOLFIRCUJQK-JKSUJKDBSA-N 1 0 382.899 2.975 20 0 GFADRO CC(C)Sc1ccc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)nn1 ZINC001164876991 721165839 /nfs/dbraw/zinc/16/58/39/721165839.db2.gz NMDNHXPJEPLQGT-ROUUACIJSA-N 1 0 385.537 2.852 20 0 GFADRO Cc1cc(N2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)nc(-c2ccncc2)n1 ZINC001164767596 721191566 /nfs/dbraw/zinc/19/15/66/721191566.db2.gz KCXAWKYMJMSKHE-VQTJNVASSA-N 1 0 389.507 2.539 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4nc5c(nc4Cl)CCCC5)C[C@H]3C2)cn1 ZINC001164766575 721243480 /nfs/dbraw/zinc/24/34/80/721243480.db2.gz UWMFMSUGFJYPJE-HZPDHXFCSA-N 1 0 386.931 2.701 20 0 GFADRO COc1cc(C)c2ncnc(N3C[C@H]4CC[N@H+](Cc5cnn(C)c5)C[C@@H]4C3)c2c1 ZINC001164769747 721248394 /nfs/dbraw/zinc/24/83/94/721248394.db2.gz ZMCNSDNDQSPOLE-QZTJIDSGSA-N 1 0 392.507 2.639 20 0 GFADRO COC(=O)c1cc(Cl)ncc1C(F)(F)N1CC2(C1)CC[N@H+](CC1CC1)C2 ZINC001164772466 721285715 /nfs/dbraw/zinc/28/57/15/721285715.db2.gz HDRLTYZWYXAAAZ-UHFFFAOYSA-N 1 0 385.842 2.989 20 0 GFADRO Clc1nnc(Cl)c(N2CCOCC2)c1N1CC2(C1)CC[N@H+](CC1CC1)C2 ZINC001164775432 721303767 /nfs/dbraw/zinc/30/37/67/721303767.db2.gz WXBATOPKKDOGEH-UHFFFAOYSA-N 1 0 398.338 2.542 20 0 GFADRO Cc1cc(Cl)cc(N2CC[C@@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)n1 ZINC001164886815 721384416 /nfs/dbraw/zinc/38/44/16/721384416.db2.gz GMBZWYKYXITSEW-AZUAARDMSA-N 1 0 378.948 2.809 20 0 GFADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4cnc5ccc(F)cc5n4)C3)O2)CC1 ZINC001164886508 721404948 /nfs/dbraw/zinc/40/49/48/721404948.db2.gz JHGDMAYQXOBRTE-XMSQKQJNSA-N 1 0 399.514 2.534 20 0 GFADRO CSc1cnc(N2CC[C@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)c(C)c1 ZINC001164895845 721430265 /nfs/dbraw/zinc/43/02/65/721430265.db2.gz QHCOVOHTYWHCHH-NQIIRXRSSA-N 1 0 390.597 2.877 20 0 GFADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4ccc(C(C)(C)C)nn4)C3)O2)CC1 ZINC001164897034 721436387 /nfs/dbraw/zinc/43/63/87/721436387.db2.gz SITGNGCONLLBAC-PGRDOPGGSA-N 1 0 387.572 2.540 20 0 GFADRO CSCc1ccc(N2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)nc1 ZINC001164894275 721441915 /nfs/dbraw/zinc/44/19/15/721441915.db2.gz LHJFIESVORNZCK-TZIWHRDSSA-N 1 0 390.597 2.710 20 0 GFADRO COc1ccnc(Cl)c1N1CC[C@@]2(C1)CCC[C@@H](C[NH+]1CCN(C)CC1)O2 ZINC001164895437 721443995 /nfs/dbraw/zinc/44/39/95/721443995.db2.gz PBDOGUWCEBIFOM-OXJNMPFZSA-N 1 0 394.947 2.509 20 0 GFADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncc(Cl)cn1)CC2 ZINC001164788688 721448499 /nfs/dbraw/zinc/44/84/99/721448499.db2.gz SQCGDWHNKZEBGD-GOSISDBHSA-N 1 0 394.947 2.864 20 0 GFADRO CC(C)(c1ccnc(Cl)c1)[N@@H+]1C[C@@H]2COC[C@@]2(CC(=O)NCC2CC2)C1 ZINC001164899667 721485092 /nfs/dbraw/zinc/48/50/92/721485092.db2.gz ZSLIPZMYGRKEHM-OXQOHEQNSA-N 1 0 377.916 2.835 20 0 GFADRO Cc1ccnc(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)c1C(N)=O ZINC001164791993 721494271 /nfs/dbraw/zinc/49/42/71/721494271.db2.gz IUMXKYWCNOEFDN-UHFFFAOYSA-N 1 0 379.508 2.765 20 0 GFADRO C[NH+]1CCN(c2cccc(N3C[C@H]4CCC[C@@]4(COc4ccccn4)C3)n2)CC1 ZINC001164794609 721506319 /nfs/dbraw/zinc/50/63/19/721506319.db2.gz ATLDECQLKWLFBH-XXBNENTESA-N 1 0 393.535 2.914 20 0 GFADRO CCOC(=O)c1cccnc1N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164896913 721512577 /nfs/dbraw/zinc/51/25/77/721512577.db2.gz CHAFEIBBXXLRRU-AEFFLSMTSA-N 1 0 385.439 2.739 20 0 GFADRO CCOC(=O)Cc1cccnc1N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164900149 721518099 /nfs/dbraw/zinc/51/80/99/721518099.db2.gz OPEBOQTUCFXRKL-ICSRJNTNSA-N 1 0 399.466 2.668 20 0 GFADRO COc1cnnc(Cl)c1N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164907119 721531972 /nfs/dbraw/zinc/53/19/72/721531972.db2.gz MATONMKOHWALDO-UKRRQHHQSA-N 1 0 378.835 2.620 20 0 GFADRO CCOC(=O)Cc1ccc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)nc1 ZINC001164905264 721535210 /nfs/dbraw/zinc/53/52/10/721535210.db2.gz HZOKOEWJWFYLEL-AZUAARDMSA-N 1 0 399.466 2.668 20 0 GFADRO Cc1cc2c(ncnc2N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)[nH]1 ZINC001164800631 721544304 /nfs/dbraw/zinc/54/43/04/721544304.db2.gz CTUZCFVBSRMBET-QYZOEREBSA-N 1 0 378.480 2.530 20 0 GFADRO COc1ccc2cnc(N3CCCC34CC[NH+](CC(=O)N(C)C)CC4)cc2c1 ZINC001165009987 721742037 /nfs/dbraw/zinc/74/20/37/721742037.db2.gz KNETUCCCOGLBDA-UHFFFAOYSA-N 1 0 382.508 2.766 20 0 GFADRO Cc1ccc(-c2ccc(N3CCCC34CC[NH+](CC(=O)N(C)C)CC4)nn2)cc1 ZINC001165011454 721744071 /nfs/dbraw/zinc/74/40/71/721744071.db2.gz XOTHUUDOHMNCIT-UHFFFAOYSA-N 1 0 393.535 2.975 20 0 GFADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc(Cl)c(C(N)=O)n3)C[C@@H]21 ZINC001165026906 721803305 /nfs/dbraw/zinc/80/33/05/721803305.db2.gz SDWHSWYXIKBQCN-UWWQBHOKSA-N 1 0 399.926 2.966 20 0 GFADRO O=C(Nc1nncs1)c1cnc(N2CC[NH+](C3CCCC3)CC2)c(Cl)c1 ZINC001165031608 721860578 /nfs/dbraw/zinc/86/05/78/721860578.db2.gz DOMZRVWEEVZRCI-UHFFFAOYSA-N 1 0 392.916 2.903 20 0 GFADRO C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2c1nccc(-c2c[nH]c3ccccc23)n1 ZINC001164931796 721861669 /nfs/dbraw/zinc/86/16/69/721861669.db2.gz WFGOGZZREKDTFM-NHCUHLMSSA-N 1 0 376.508 2.840 20 0 GFADRO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2c1cc(C(=O)Nc2ccccc2)ccn1 ZINC001164924832 721865153 /nfs/dbraw/zinc/86/51/53/721865153.db2.gz LNSRJHBCAJAGCV-VQTJNVASSA-N 1 0 379.508 2.549 20 0 GFADRO C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2c1ccc(NC(=O)OC(C)(C)C)cn1 ZINC001164923132 721876518 /nfs/dbraw/zinc/87/65/18/721876518.db2.gz IMGWOBDDMYJYMA-IAGOWNOFSA-N 1 0 375.517 2.643 20 0 GFADRO C[NH+](C)CC1CCN(c2nc(Cl)nc3c2ncn3[C@@H]2CCCCO2)CC1 ZINC001165041682 721945056 /nfs/dbraw/zinc/94/50/56/721945056.db2.gz IHFHEOQGAOMNSF-AWEZNQCLSA-N 1 0 378.908 2.957 20 0 GFADRO COC[C@]12COC[C@@H]1CN(C(F)(F)c1cnc(Cl)c(C3=CC[NH2+]CC3)c1)C2 ZINC001164949281 721996862 /nfs/dbraw/zinc/99/68/62/721996862.db2.gz DPCXWVWOIKQBNI-MAUKXSAKSA-N 1 0 399.869 2.756 20 0 GFADRO CON(C)C(=O)c1ccnc(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)c1 ZINC001164964157 722023472 /nfs/dbraw/zinc/02/34/72/722023472.db2.gz VQAODNJYBHELFD-UHFFFAOYSA-N 1 0 395.507 2.603 20 0 GFADRO CC(C)C(=O)N[C@@H]1[C@H]2CN(c3ccc4c(n3)CC[N@@H+](Cc3ccccc3)C4)C[C@H]21 ZINC001164964232 722039093 /nfs/dbraw/zinc/03/90/93/722039093.db2.gz UNXHABORURPHHA-NPHXMPSESA-N 1 0 390.531 2.847 20 0 GFADRO CCCc1ccc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)nn1 ZINC001164961693 722059984 /nfs/dbraw/zinc/05/99/84/722059984.db2.gz OGRYSCBNOCXJFE-UHFFFAOYSA-N 1 0 381.524 2.943 20 0 GFADRO CCCc1cc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)nc(C)n1 ZINC001164983342 722129817 /nfs/dbraw/zinc/12/98/17/722129817.db2.gz UKADRKMESVOGGE-TZIWHRDSSA-N 1 0 381.524 2.860 20 0 GFADRO Fc1cnc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c2[nH]ccc21 ZINC001164985493 722133959 /nfs/dbraw/zinc/13/39/59/722133959.db2.gz ZQCZXJUQRRZHRH-LPHOPBHVSA-N 1 0 381.455 2.824 20 0 GFADRO CC(C)Cc1cc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)ncn1 ZINC001164984186 722144792 /nfs/dbraw/zinc/14/47/92/722144792.db2.gz WFDOGCYLANXPHD-TZIWHRDSSA-N 1 0 381.524 2.797 20 0 GFADRO CCc1c(Cl)ncnc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164983297 722145760 /nfs/dbraw/zinc/14/57/60/722145760.db2.gz SYQWTBYEPCZCDH-SJLPKXTDSA-N 1 0 387.915 2.815 20 0 GFADRO CCc1cc(Cl)nc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164977223 722152564 /nfs/dbraw/zinc/15/25/64/722152564.db2.gz YGAIECARADJZDZ-WMZOPIPTSA-N 1 0 387.915 2.815 20 0 GFADRO CN1c2ccccc2[C@@]2(CCN(c3cccc(OCC[NH+]4CCCC4)n3)C2)C1=O ZINC001164976860 722162406 /nfs/dbraw/zinc/16/24/06/722162406.db2.gz DOYIDOGANUBKOE-QHCPKHFHSA-N 1 0 392.503 2.681 20 0 GFADRO Fc1cccc(C[N@@H+]2CC[C@]23CCCN(c2ccnc(N4CCOCC4)n2)C3)c1 ZINC001164994458 722203242 /nfs/dbraw/zinc/20/32/42/722203242.db2.gz HHFAKWRYCMQFEA-QFIPXVFZSA-N 1 0 397.498 2.697 20 0 GFADRO Cc1cc(NC(=O)CC[NH2+]Cc2cc(Br)c3c(c2)OCCO3)no1 ZINC000517230510 532410077 /nfs/dbraw/zinc/41/00/77/532410077.db2.gz DNDDACVPOABDHP-UHFFFAOYSA-N 1 0 396.241 2.635 20 0 GFADRO C[C@H]([NH2+]C[C@@H]1COC2(CCOCC2)O1)[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000359993039 212130205 /nfs/dbraw/zinc/13/02/05/212130205.db2.gz JMRMTIFOMQPYFJ-BBWFWOEESA-N 1 0 384.517 2.676 20 0 GFADRO [NH3+][C@@H](CC(=O)N1CCCN(C(=O)c2c[nH]c3ccccc23)CC1)c1ccccc1 ZINC000359998779 212132309 /nfs/dbraw/zinc/13/23/09/212132309.db2.gz XMTXAQPLQUMVHX-FQEVSTJZSA-N 1 0 390.487 2.933 20 0 GFADRO Cc1nn(C)c(C)c1[C@@H](NC(=O)N1CCC[C@H]([NH+]2CCCC2)C1)C(F)(F)F ZINC000359864522 212120998 /nfs/dbraw/zinc/12/09/98/212120998.db2.gz CNQLKRDEQRGPDI-GOEBONIOSA-N 1 0 387.450 2.910 20 0 GFADRO Cc1sc2ncc(C(=O)N3CCC[C@@H](C[NH+]4CCCCC4)C3)c(=O)n2c1C ZINC000359909943 212123951 /nfs/dbraw/zinc/12/39/51/212123951.db2.gz ZIMULZLGIJIREL-INIZCTEOSA-N 1 0 388.537 2.711 20 0 GFADRO O=C(Nc1cc(Cl)ccc1Cl)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000359875226 212120108 /nfs/dbraw/zinc/12/01/08/212120108.db2.gz RULJIKLUNBDVKG-CQSZACIVSA-N 1 0 387.311 2.521 20 0 GFADRO CCc1ncsc1C(=O)N(C)C[C@@H]1CCC[N@@H+](CC)[C@H]1c1cnn(C)c1 ZINC000328623177 212085805 /nfs/dbraw/zinc/08/58/05/212085805.db2.gz IZOSNBYVIOVTIZ-WMLDXEAASA-N 1 0 375.542 2.984 20 0 GFADRO OCc1ccc(C[N@@H+]2C[C@H]3CCC[C@@]3(c3nc(-c4cnccn4)no3)C2)cc1 ZINC000328603474 212084562 /nfs/dbraw/zinc/08/45/62/212084562.db2.gz GDBHGSNYBAFQMX-DYESRHJHSA-N 1 0 377.448 2.573 20 0 GFADRO CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC[NH+](C(C)C)C(C)C)c1 ZINC000007800535 221012282 /nfs/dbraw/zinc/01/22/82/221012282.db2.gz XIRBNJHKCGVHAI-UHFFFAOYSA-N 1 0 383.558 2.566 20 0 GFADRO COCC[N@@H+]1CCC[C@@H](NC(=O)c2cc(Cl)ccc2Br)C1 ZINC000398926798 563533602 /nfs/dbraw/zinc/53/36/02/563533602.db2.gz SOKIMTQYJZMUTO-GFCCVEGCSA-N 1 0 375.694 2.943 20 0 GFADRO CS(=O)(=O)N1CCC[C@@H]([NH2+][C@H]2CCc3sc(Br)cc32)C1 ZINC000400123915 563534362 /nfs/dbraw/zinc/53/43/62/563534362.db2.gz BPERAMMIKHIFJN-KOLCDFICSA-N 1 0 379.345 2.512 20 0 GFADRO [NH3+]C[C@H](NC(=O)c1cc(Cl)ccc1I)C(F)(F)F ZINC000401681684 563535083 /nfs/dbraw/zinc/53/50/83/563535083.db2.gz SFIZYVSIQFWOQO-QMMMGPOBSA-N 1 0 392.546 2.564 20 0 GFADRO COc1cccc([C@@H](CNC(=O)c2nscc2Br)[NH+](C)C)c1 ZINC000404817422 563536941 /nfs/dbraw/zinc/53/69/41/563536941.db2.gz CGJLCRGPJVBDFJ-CYBMUJFWSA-N 1 0 384.299 2.947 20 0 GFADRO O=C(c1ccc(I)cc1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000024086423 221608640 /nfs/dbraw/zinc/60/86/40/221608640.db2.gz YSERAZPOBGGDIA-UHFFFAOYSA-N 1 0 393.228 2.649 20 0 GFADRO CCOC(=O)C1CCN(C(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)CC1 ZINC000053523693 222011881 /nfs/dbraw/zinc/01/18/81/222011881.db2.gz ZKRMLZALTNUPCF-QGZVFWFLSA-N 1 0 377.485 2.791 20 0 GFADRO Cc1cc(Br)c(C(=O)NCCC[NH+]2CCC(O)CC2)cc1Cl ZINC000286265245 563554083 /nfs/dbraw/zinc/55/40/83/563554083.db2.gz NJWHOUKTDOTMGT-UHFFFAOYSA-N 1 0 389.721 2.988 20 0 GFADRO [NH3+][C@@H]1CCO[C@H](C2CCN(C(=O)Cc3ccc(Br)s3)CC2)C1 ZINC000333345365 563628880 /nfs/dbraw/zinc/62/88/80/563628880.db2.gz ZDKDSEWAPVGAQD-OCCSQVGLSA-N 1 0 387.343 2.798 20 0 GFADRO CC1CC[NH+](CCCNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1 ZINC000007728831 551101482 /nfs/dbraw/zinc/10/14/82/551101482.db2.gz IPTIPPHDHPXFCV-UHFFFAOYSA-N 1 0 380.432 2.986 20 0 GFADRO O=S(=O)(NC1CC[NH+](CCCOc2ccccc2)CC1)c1cccs1 ZINC000013009978 551108627 /nfs/dbraw/zinc/10/86/27/551108627.db2.gz LHHLZOCHVQLCOK-UHFFFAOYSA-N 1 0 380.535 2.960 20 0 GFADRO CC[NH+]1CCC(NC(=O)CSc2nc3sc(C)c(C)c3c(N)n2)CC1 ZINC000031822823 551131040 /nfs/dbraw/zinc/13/10/40/551131040.db2.gz FHIFBZLISRRDBT-UHFFFAOYSA-N 1 0 379.555 2.583 20 0 GFADRO O=S(=O)(NCCC[NH+]1CCCCC1)c1ccc(F)cc1Br ZINC000040446028 551134302 /nfs/dbraw/zinc/13/43/02/551134302.db2.gz OCPJFIIHKUIJRV-UHFFFAOYSA-N 1 0 379.295 2.743 20 0 GFADRO CC(C)C[C@@H](CNC(=O)C(=O)Nc1ccc(F)cc1Br)[NH+](C)C ZINC000041321996 551135447 /nfs/dbraw/zinc/13/54/47/551135447.db2.gz BNDAFGAKILWULN-LBPRGKRZSA-N 1 0 388.281 2.619 20 0 GFADRO CC(C)[C@H](CNC(=O)c1cc(F)ccc1Br)[NH+]1CCN(C)CC1 ZINC000042580864 551139857 /nfs/dbraw/zinc/13/98/57/551139857.db2.gz JOSAFGCNVYEPID-INIZCTEOSA-N 1 0 386.309 2.590 20 0 GFADRO C[NH+](C)CCNC(=O)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000045164860 551146258 /nfs/dbraw/zinc/14/62/58/551146258.db2.gz HGYMQJOMJHGTLT-UHFFFAOYSA-N 1 0 378.826 2.648 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)Nc1ccccc1SCC(N)=O)c1ccsc1 ZINC000045695437 551147460 /nfs/dbraw/zinc/14/74/60/551147460.db2.gz SSPZEDIYEISFNH-AWEZNQCLSA-N 1 0 378.523 2.750 20 0 GFADRO CCN(CC)C(=O)C[N@@H+]1CCCN(Cc2ccccc2Br)CC1 ZINC000046598300 551151531 /nfs/dbraw/zinc/15/15/31/551151531.db2.gz RQRVKGOHTONYBT-UHFFFAOYSA-N 1 0 382.346 2.825 20 0 GFADRO C[NH2+]CCC1CCN(S(=O)(=O)c2cc(Br)c(F)cc2C)CC1 ZINC000440845272 563751716 /nfs/dbraw/zinc/75/17/16/563751716.db2.gz QZEKGFJYXXFGMT-UHFFFAOYSA-N 1 0 393.322 2.907 20 0 GFADRO O=C(c1cc(F)cc(Br)c1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000048480535 551156570 /nfs/dbraw/zinc/15/65/70/551156570.db2.gz LKJIWSJWQHMGBL-UHFFFAOYSA-N 1 0 385.277 2.773 20 0 GFADRO CCCNC(=O)[C@H]1CCC[N@H+](Cc2cc3c(cc2Br)OCCO3)C1 ZINC000051002336 551161523 /nfs/dbraw/zinc/16/15/23/551161523.db2.gz SLIAAGAKABDKSM-ZDUSSCGKSA-N 1 0 397.313 2.959 20 0 GFADRO C[N@@H+]1CCC[C@@H](NC(=O)CCc2nc(-c3cc(Br)cs3)no2)C1 ZINC000053148656 551165639 /nfs/dbraw/zinc/16/56/39/551165639.db2.gz OXJURPVFLMUGGE-LLVKDONJSA-N 1 0 399.314 2.704 20 0 GFADRO COc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)cc1Cl ZINC000055295182 551172831 /nfs/dbraw/zinc/17/28/31/551172831.db2.gz FUYHSVKRCLACTN-OAHLLOKOSA-N 1 0 382.913 2.800 20 0 GFADRO CCn1c(SCC(=O)NC[C@@H](C2CC2)[NH+](C)C)nnc1-c1cccs1 ZINC000055718640 551174862 /nfs/dbraw/zinc/17/48/62/551174862.db2.gz OFODKGPMPQJCEX-ZDUSSCGKSA-N 1 0 379.555 2.575 20 0 GFADRO CCC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCCN2C(=O)c2ccc(Cl)s2)C1 ZINC000056986631 551178840 /nfs/dbraw/zinc/17/88/40/551178840.db2.gz BLZILEXHAJDYAQ-KGLIPLIRSA-N 1 0 383.945 2.854 20 0 GFADRO O=C(NCCC[NH+]1CCCC1)[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000065042153 551185074 /nfs/dbraw/zinc/18/50/74/551185074.db2.gz DOZZQZQFQOAGMA-AWEZNQCLSA-N 1 0 384.307 2.948 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)C1CC1 ZINC000097126807 551196425 /nfs/dbraw/zinc/19/64/25/551196425.db2.gz LYKLOLUOYORLEM-CJNGLKHVSA-N 1 0 384.307 2.803 20 0 GFADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CSCc2csc(C(C)C)n2)C1 ZINC000101585087 551196784 /nfs/dbraw/zinc/19/67/84/551196784.db2.gz SAQYJPODBGAJLA-MRXNPFEDSA-N 1 0 385.599 2.973 20 0 GFADRO Cc1cc(I)ccc1NC(=O)C[N@@H+](C[C@H](C)O)C(C)C ZINC000107043745 551201717 /nfs/dbraw/zinc/20/17/17/551201717.db2.gz YLMLKXNYXSADJT-LBPRGKRZSA-N 1 0 390.265 2.629 20 0 GFADRO COC(=O)c1ccc(S(=O)(=O)NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)c(Cl)c1 ZINC000110252956 551203460 /nfs/dbraw/zinc/20/34/60/551203460.db2.gz ZORGZZPGTWINHI-OLZOCXBDSA-N 1 0 388.917 2.525 20 0 GFADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)NCC1(C)COC1 ZINC000112753533 551207228 /nfs/dbraw/zinc/20/72/28/551207228.db2.gz XOIWGPUISZWANE-UHFFFAOYSA-N 1 0 384.318 2.559 20 0 GFADRO Cc1sc(=O)n(CC(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)c1C ZINC000119672682 551218303 /nfs/dbraw/zinc/21/83/03/551218303.db2.gz CRHHCVPRKZLPBG-HNNXBMFYSA-N 1 0 379.551 2.617 20 0 GFADRO C[C@@H]1CCC[N@H+](CCCCNC(=O)CCn2cc(Br)ccc2=O)C1 ZINC000120930296 551223281 /nfs/dbraw/zinc/22/32/81/551223281.db2.gz VAONALAAFPQITE-OAHLLOKOSA-N 1 0 398.345 2.629 20 0 GFADRO Cc1nccn1CCCCNC(=O)C(=O)Nc1cccc(C)c1Br ZINC000121070184 551226097 /nfs/dbraw/zinc/22/60/97/551226097.db2.gz DQUIHJHEHXTGBP-UHFFFAOYSA-N 1 0 393.285 2.798 20 0 GFADRO C[C@H](CNC(=O)Cc1ccccc1I)C[NH+]1CCCC1 ZINC000121111443 551227397 /nfs/dbraw/zinc/22/73/97/551227397.db2.gz SKOMAVRIPSOXLL-CYBMUJFWSA-N 1 0 386.277 2.682 20 0 GFADRO COC(=O)CCN1CCN(C(=O)Nc2ccc(Br)cc2)[C@@H](C)C1 ZINC000121174627 551228768 /nfs/dbraw/zinc/22/87/68/551228768.db2.gz LQPYBCJOIMJNEW-LBPRGKRZSA-N 1 0 384.274 2.550 20 0 GFADRO COc1ccc(-c2nc(C)c([C@@H](C)[NH2+]CCCNS(C)(=O)=O)s2)cc1 ZINC000121250133 551230617 /nfs/dbraw/zinc/23/06/17/551230617.db2.gz XPJNYFFRKBIWDM-GFCCVEGCSA-N 1 0 383.539 2.717 20 0 GFADRO CCCN(CC[NH+](CC)CC)C(=O)C(=O)Nc1cnc(Br)c(C)c1 ZINC000121726028 551240986 /nfs/dbraw/zinc/24/09/86/551240986.db2.gz JCJDREBANJJYFR-UHFFFAOYSA-N 1 0 399.333 2.671 20 0 GFADRO C[C@@H](CNC(=O)CCOc1ccc(Cl)cc1Cl)C[NH+]1CCN(C)CC1 ZINC000121760625 551241833 /nfs/dbraw/zinc/24/18/33/551241833.db2.gz NPBPZYPILAIZMM-AWEZNQCLSA-N 1 0 388.339 2.762 20 0 GFADRO C[NH+]1CCC(CNC(=O)c2cc(I)c(F)cc2F)CC1 ZINC000121761936 551241995 /nfs/dbraw/zinc/24/19/95/551241995.db2.gz DTVZCFAVYGCMCJ-UHFFFAOYSA-N 1 0 394.203 2.641 20 0 GFADRO C[NH+](C)CC[C@@H](NC(=O)c1cncc(I)c1)C(C)(C)C ZINC000121824487 551243354 /nfs/dbraw/zinc/24/33/54/551243354.db2.gz IGDDOAIBGPNFEI-CYBMUJFWSA-N 1 0 389.281 2.782 20 0 GFADRO C[C@@H](CC(=O)Nc1ccc(Br)cc1)N[C@H]1C[NH2+]CCC1(F)F ZINC000415009782 563757178 /nfs/dbraw/zinc/75/71/78/563757178.db2.gz XQDZUFZQDYEBPU-GWCFXTLKSA-N 1 0 376.245 2.753 20 0 GFADRO COc1cc(CN2CC[C@@H]3C[NH2+]C[C@@H]32)cc(Br)c1OC(F)F ZINC000414785441 563752768 /nfs/dbraw/zinc/75/27/68/563752768.db2.gz ITWJDHVQRSWRBL-PWSUYJOCSA-N 1 0 377.229 2.853 20 0 GFADRO CC[NH+](CC)CCNC(=O)C(=O)Nc1ccc(Br)cc1C(C)C ZINC000121914866 551292735 /nfs/dbraw/zinc/29/27/35/551292735.db2.gz JZYWTEVYNQPTHI-UHFFFAOYSA-N 1 0 384.318 2.969 20 0 GFADRO Cc1ccc(Br)c(NC(=O)C(=O)NCCC[NH+]2CCC(C)CC2)c1 ZINC000122143324 551295114 /nfs/dbraw/zinc/29/51/14/551295114.db2.gz AOCOKFFXEHJXGK-UHFFFAOYSA-N 1 0 396.329 2.934 20 0 GFADRO C[NH+](C)CC1(CNC(=O)CNC(=O)c2ccc(Cl)cc2Cl)CCCC1 ZINC000126003532 551325195 /nfs/dbraw/zinc/32/51/95/551325195.db2.gz RQEIPTHBKMXPAC-UHFFFAOYSA-N 1 0 386.323 2.961 20 0 GFADRO C[C@H](CNC(=O)c1ccc(Cl)c(C(F)(F)F)c1)C[NH+]1CCN(C)CC1 ZINC000126751366 551332309 /nfs/dbraw/zinc/33/23/09/551332309.db2.gz NYEYGLKJJDAPBS-GFCCVEGCSA-N 1 0 377.838 2.972 20 0 GFADRO CC(C)(C)[NH2+]CCNC(=O)C(=O)Nc1ccccc1SCC(F)(F)F ZINC000128003400 551345755 /nfs/dbraw/zinc/34/57/55/551345755.db2.gz YOHURWCFCJFVLO-UHFFFAOYSA-N 1 0 377.432 2.784 20 0 GFADRO C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CC(=O)NCc1ccco1 ZINC000128104403 551346618 /nfs/dbraw/zinc/34/66/18/551346618.db2.gz GVMHZRFGGUBKLI-LBPRGKRZSA-N 1 0 394.269 2.665 20 0 GFADRO C[C@H]1C[N@@H+](C2CCN(C(=O)Cc3ccc(Br)c(F)c3)CC2)CCO1 ZINC000128767977 551352239 /nfs/dbraw/zinc/35/22/39/551352239.db2.gz KSRQQVVDHKRVMB-ZDUSSCGKSA-N 1 0 399.304 2.842 20 0 GFADRO CNS(=O)(=O)[C@@H]1CCN(c2c(C)c(C)[nH+]c3ccc(Br)cc32)C1 ZINC000128799820 551352594 /nfs/dbraw/zinc/35/25/94/551352594.db2.gz WFLHIUPFQXETQV-CYBMUJFWSA-N 1 0 398.326 2.742 20 0 GFADRO CS(=O)(=O)N1CCC([NH2+][C@@H]2CCc3c2cc(Br)cc3F)CC1 ZINC000129680999 551358743 /nfs/dbraw/zinc/35/87/43/551358743.db2.gz AONGJBMKARCCAE-OAHLLOKOSA-N 1 0 391.306 2.589 20 0 GFADRO Cc1ccc(Br)c(NC(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)c1 ZINC000130076024 551361874 /nfs/dbraw/zinc/36/18/74/551361874.db2.gz DZRQHDIMJZTDAO-CQSZACIVSA-N 1 0 383.334 2.763 20 0 GFADRO O=C(NC[C@@H]1CCCC[NH2+]1)[C@@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1 ZINC000130708981 551368169 /nfs/dbraw/zinc/36/81/69/551368169.db2.gz QLDQHSBZRKJADV-BBRMVZONSA-N 1 0 384.307 2.856 20 0 GFADRO COc1ccc(Br)cc1C(=O)CCC(=O)NC[C@@H](C1CC1)[NH+](C)C ZINC000130684624 551368273 /nfs/dbraw/zinc/36/82/73/551368273.db2.gz YUIBTMNYFBKYOQ-HNNXBMFYSA-N 1 0 397.313 2.877 20 0 GFADRO COC(=O)c1ccc(S(=O)(=O)NCC[NH+](C(C)C)C(C)C)cc1Cl ZINC000130740631 551368763 /nfs/dbraw/zinc/36/87/63/551368763.db2.gz LFJPCHQGHUNXRT-UHFFFAOYSA-N 1 0 376.906 2.524 20 0 GFADRO C[C@@H](NC(=O)C(=O)Nc1c(F)cccc1Br)C(C)(C)C[NH+](C)C ZINC000133154987 551382070 /nfs/dbraw/zinc/38/20/70/551382070.db2.gz RNIGOYHZITUXOP-SNVBAGLBSA-N 1 0 388.281 2.619 20 0 GFADRO COCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](Cc2cc(Br)ccc2OC)C1 ZINC000144265696 551395983 /nfs/dbraw/zinc/39/59/83/551395983.db2.gz SMSDFWXDEHMQSV-ZIAGYGMSSA-N 1 0 399.329 2.821 20 0 GFADRO COc1ccc(Br)cc1C(=O)CCC(=O)N(C)[C@H]1CCC[N@H+](C)C1 ZINC000151145753 551408169 /nfs/dbraw/zinc/40/81/69/551408169.db2.gz UZIDDUVRWHBUJN-AWEZNQCLSA-N 1 0 397.313 2.973 20 0 GFADRO O=S(=O)(C1CC1)N1CCC([NH2+]Cc2csc(-c3ccsc3)n2)CC1 ZINC000151270842 551410479 /nfs/dbraw/zinc/41/04/79/551410479.db2.gz NJSQNGKHDZDOKE-UHFFFAOYSA-N 1 0 383.564 2.918 20 0 GFADRO C[C@H]1C[C@H](NC(=O)Cc2cc3c(cc2Br)OCCO3)C[N@@H+]1C1CC1 ZINC000151311737 551411426 /nfs/dbraw/zinc/41/14/26/551411426.db2.gz UNBFWVICWKYQAB-AAEUAGOBSA-N 1 0 395.297 2.504 20 0 GFADRO CC[NH+](CC)[C@@H](CNC(=O)C(=O)Nc1ccc(Br)nc1)CC(C)C ZINC000151473243 551414427 /nfs/dbraw/zinc/41/44/27/551414427.db2.gz IAFDXFQJPFJWQS-CQSZACIVSA-N 1 0 399.333 2.655 20 0 GFADRO O=S(=O)(c1cc(C(F)(F)F)ccc1F)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000151633285 551418339 /nfs/dbraw/zinc/41/83/39/551418339.db2.gz UZXJHGPLFGLMLN-LBPRGKRZSA-N 1 0 380.407 2.951 20 0 GFADRO CCO[C@@H](CC[NH+](C)C)CNC(=O)C(=O)Nc1cc(Cl)c(C)c(Cl)c1 ZINC000151723865 551420093 /nfs/dbraw/zinc/42/00/93/551420093.db2.gz XDJILKNEPBEQDT-ZDUSSCGKSA-N 1 0 390.311 2.713 20 0 GFADRO C[C@@H]1CCC[C@@H]1[NH2+]C[C@H](O)COc1ccc(I)cc1 ZINC000151906105 551422901 /nfs/dbraw/zinc/42/29/01/551422901.db2.gz QZNXFGOYCHOHIR-ZLDLUXBVSA-N 1 0 375.250 2.809 20 0 GFADRO CC[N@H+](CC(=O)NCCC(=O)Nc1ccc(Br)cc1C)C1CC1 ZINC000151993184 551424318 /nfs/dbraw/zinc/42/43/18/551424318.db2.gz YJAVPHBXOPHTFM-UHFFFAOYSA-N 1 0 382.302 2.687 20 0 GFADRO O=S(=O)(c1ccc(C[NH2+][C@@H]2CCCc3sccc32)s1)N1CCOCC1 ZINC000152147473 551426653 /nfs/dbraw/zinc/42/66/53/551426653.db2.gz IRXJJUCRXMOLRI-OAHLLOKOSA-N 1 0 398.575 2.998 20 0 GFADRO O=C(NCCCC[N@H+]1CCC[C@@H]1CO)[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000152151718 551427374 /nfs/dbraw/zinc/42/73/74/551427374.db2.gz LMMSOUULVACPGY-FGTMMUONSA-N 1 0 395.341 2.906 20 0 GFADRO Cn1ncc2c1CCC[C@H]2[NH2+]CCCNC(=O)c1cccc(Br)c1 ZINC000152692111 551438018 /nfs/dbraw/zinc/43/80/18/551438018.db2.gz NXNXYRRSOKZJCB-MRXNPFEDSA-N 1 0 391.313 2.970 20 0 GFADRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1ccc(Br)cc1O ZINC000152842472 551441131 /nfs/dbraw/zinc/44/11/31/551441131.db2.gz XAEUUDQGSSDFTL-HZPDHXFCSA-N 1 0 397.313 2.652 20 0 GFADRO C[N@@H+]1CC[C@H]2[C@H](CCCN2S(=O)(=O)c2ccc(F)cc2C(F)(F)F)C1 ZINC000152885328 551441929 /nfs/dbraw/zinc/44/19/29/551441929.db2.gz ZVTJREIUJHTLIF-RISCZKNCSA-N 1 0 380.407 2.949 20 0 GFADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cc(C)ccc3Br)C2)CC1 ZINC000153100876 551446285 /nfs/dbraw/zinc/44/62/85/551446285.db2.gz MAQAZDNUAQMHOS-OAHLLOKOSA-N 1 0 380.330 2.610 20 0 GFADRO C[C@H](CC(=O)NC[C@@H](O)COc1cccc(Cl)c1Cl)C1CC[NH2+]CC1 ZINC000153263162 551449542 /nfs/dbraw/zinc/44/95/42/551449542.db2.gz NIJIDTIWJATHPG-TZMCWYRMSA-N 1 0 389.323 2.875 20 0 GFADRO C[C@@H]1C[N@@H+](CCCNC(=O)Cc2ccc(Br)c(F)c2)C[C@H](C)O1 ZINC000153805241 551461101 /nfs/dbraw/zinc/46/11/01/551461101.db2.gz XJULFBUUOIORMA-BETUJISGSA-N 1 0 387.293 2.746 20 0 GFADRO CN1CCO[C@@H](C(=O)Nc2nc(-c3ccccc3)c(Br)s2)C1 ZINC000154619018 551479472 /nfs/dbraw/zinc/47/94/72/551479472.db2.gz BGVMCUQIRWMIPF-LLVKDONJSA-N 1 0 382.283 2.842 20 0 GFADRO Cc1ccc(Br)c(NC(=O)C(=O)NC2CCC(C[NH+](C)C)CC2)c1 ZINC000154703581 551480754 /nfs/dbraw/zinc/48/07/54/551480754.db2.gz CGSATYYDTKUDRB-UHFFFAOYSA-N 1 0 396.329 2.933 20 0 GFADRO C[C@@H]1C[NH+](C)C[C@@H](C)N1C(=O)c1ccc(-n2cc(Br)cn2)cc1 ZINC000155344816 551498202 /nfs/dbraw/zinc/49/82/02/551498202.db2.gz RDVPAFKIVUMTEI-CHWSQXEVSA-N 1 0 377.286 2.799 20 0 GFADRO C[C@@H]([NH2+]CCc1cccs1)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000155575559 551502960 /nfs/dbraw/zinc/50/29/60/551502960.db2.gz MGNLIDMJFNHFJJ-OAHLLOKOSA-N 1 0 380.535 2.662 20 0 GFADRO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1ccc(Cl)cc1Br ZINC000156113362 551514735 /nfs/dbraw/zinc/51/47/35/551514735.db2.gz SPIFSVHJXORVFB-JTQLQIEISA-N 1 0 390.709 2.888 20 0 GFADRO Cc1cc(I)cc(C(=O)NC[C@H](C2CC2)[NH+](C)C)c1C ZINC000156201316 551517303 /nfs/dbraw/zinc/51/73/03/551517303.db2.gz HLZYXRIWBJIZQG-OAHLLOKOSA-N 1 0 386.277 2.978 20 0 GFADRO O=C(NCCC[NH+]1CCCCCC1)c1cncc(I)c1 ZINC000156266290 551518616 /nfs/dbraw/zinc/51/86/16/551518616.db2.gz GDVDYJSJXPOTSB-UHFFFAOYSA-N 1 0 387.265 2.682 20 0 GFADRO CC(=O)N1CC[C@@H](C[N@H+](C)CCC(=O)Nc2cccc(Br)c2)C1 ZINC000156344070 551520741 /nfs/dbraw/zinc/52/07/41/551520741.db2.gz LKIGOYSYZRLNHE-AWEZNQCLSA-N 1 0 382.302 2.578 20 0 GFADRO [NH3+][C@H]1CCCN(C(=O)Nc2cc(F)c(F)cc2I)C1 ZINC000415240075 563762855 /nfs/dbraw/zinc/76/28/55/563762855.db2.gz PTDRJDGJKORPTJ-ZETCQYMHSA-N 1 0 381.164 2.524 20 0 GFADRO COC(=O)Cn1cc(CC[N@@H+]2CCC[C@H]2c2ccccc2Br)nn1 ZINC000156775578 551528072 /nfs/dbraw/zinc/52/80/72/551528072.db2.gz DQNQQPNZJSBMER-INIZCTEOSA-N 1 0 393.285 2.593 20 0 GFADRO CC(=O)N1CC[C@@H](C[N@@H+](C)[C@@H](C)C(=O)Nc2cccc(Br)c2)C1 ZINC000156755635 551528127 /nfs/dbraw/zinc/52/81/27/551528127.db2.gz QJQMRCAXVYLFTD-JSGCOSHPSA-N 1 0 382.302 2.576 20 0 GFADRO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NCc1cc(Br)cs1 ZINC000157323354 551536976 /nfs/dbraw/zinc/53/69/76/551536976.db2.gz ONQYICBCEUCFOZ-CQSZACIVSA-N 1 0 375.332 2.920 20 0 GFADRO CC(C)C[C@](C)(C[NH3+])NC(=O)[C@H](C)NC(=O)c1ccc(Br)s1 ZINC000157510739 551538718 /nfs/dbraw/zinc/53/87/18/551538718.db2.gz NBUUWVFLODSFCN-ZUZCIYMTSA-N 1 0 390.347 2.509 20 0 GFADRO Cc1cc(NC(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)ccc1Br ZINC000157664440 551541054 /nfs/dbraw/zinc/54/10/54/551541054.db2.gz BKWXWVWSLMBZHT-CYBMUJFWSA-N 1 0 383.334 2.763 20 0 GFADRO O=C(NCCCC[N@H+]1CCC[C@@H]1CO)Nc1ccc(F)cc1Br ZINC000157944816 551545170 /nfs/dbraw/zinc/54/51/70/551545170.db2.gz XPGHADFGLQNVNB-CYBMUJFWSA-N 1 0 388.281 2.947 20 0 GFADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccc(F)c(I)c2)C1 ZINC000158129565 551547444 /nfs/dbraw/zinc/54/74/44/551547444.db2.gz IABBOXNGPYCGEN-NSHDSACASA-N 1 0 390.240 2.844 20 0 GFADRO C[C@H](Cc1ccc(Br)cc1)C(=O)NC[C@H](O)C[NH+]1CCC(C)CC1 ZINC000158232030 551548351 /nfs/dbraw/zinc/54/83/51/551548351.db2.gz VQJINTJGCPAYAU-QAPCUYQASA-N 1 0 397.357 2.837 20 0 GFADRO COc1cc(C[NH2+]CCN(C)S(=O)(=O)c2cccs2)ccc1SC ZINC000158281189 551549568 /nfs/dbraw/zinc/54/95/68/551549568.db2.gz ZTSHUIRZAGPPCL-UHFFFAOYSA-N 1 0 386.564 2.889 20 0 GFADRO CS(=O)(=O)c1cc(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cs1 ZINC000158315027 551549888 /nfs/dbraw/zinc/54/98/88/551549888.db2.gz RJAFMKNSDCIMDC-UHFFFAOYSA-N 1 0 378.519 2.677 20 0 GFADRO Cc1cc(S(=O)(=O)NCC[NH2+]Cc2c[nH]nc2-c2cccs2)c(C)s1 ZINC000158413980 551551592 /nfs/dbraw/zinc/55/15/92/551551592.db2.gz CNAICVDSKYGAKL-UHFFFAOYSA-N 1 0 396.563 2.885 20 0 GFADRO [NH3+][C@@H]1CCCN(C(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)c(Cl)c3)C2)C1 ZINC000158427081 551551926 /nfs/dbraw/zinc/55/19/26/551551926.db2.gz HVVKTLCCACFKOL-ZIAGYGMSSA-N 1 0 384.307 2.795 20 0 GFADRO Cc1nc(Br)ccc1NC(=O)N1CCN(Cc2ccccn2)CC1 ZINC000158650481 551554444 /nfs/dbraw/zinc/55/44/44/551554444.db2.gz DJZSZDGKMRQRTL-UHFFFAOYSA-N 1 0 390.285 2.897 20 0 GFADRO C[NH2+]C[C@H](C)C(=O)Nc1cc(Cl)c(NC(=O)c2cnccn2)c(Cl)c1 ZINC000158924933 551558932 /nfs/dbraw/zinc/55/89/32/551558932.db2.gz WLCLSDBUGGTOOQ-VIFPVBQESA-N 1 0 382.251 2.830 20 0 GFADRO [NH3+]C[C@@H](NC(=O)c1ccc(NC(=O)c2ccc(Br)o2)cc1)C1CC1 ZINC000159060464 551560162 /nfs/dbraw/zinc/56/01/62/551560162.db2.gz KQMCXMIIDRTHPK-CYBMUJFWSA-N 1 0 392.253 2.762 20 0 GFADRO NC(=O)[C@@H](c1cccc(Br)c1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000159154001 551561523 /nfs/dbraw/zinc/56/15/23/551561523.db2.gz MSUSRTQCUBVASS-DLBZAZTESA-N 1 0 380.330 2.926 20 0 GFADRO CSCC[C@@H]([NH3+])C(=O)Nc1cccc(CS(=O)(=O)c2ccccc2)c1 ZINC000159216723 551562446 /nfs/dbraw/zinc/56/24/46/551562446.db2.gz WAZLQWQOACCLGA-QGZVFWFLSA-N 1 0 378.519 2.679 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1cc(Br)c(C)cc1OC ZINC000162086968 551602975 /nfs/dbraw/zinc/60/29/75/551602975.db2.gz QYBCHAVIAYKCCK-LBPRGKRZSA-N 1 0 391.331 2.529 20 0 GFADRO O=C(Nc1ccc(F)cc1I)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000415248308 563763713 /nfs/dbraw/zinc/76/37/13/563763713.db2.gz GMYSXMYYXGYREX-JOYOIKCWSA-N 1 0 389.212 2.646 20 0 GFADRO C[C@H](CC(=O)NC[C@H](C)C[NH+]1CCN(C)CC1)c1ccc(Br)cc1 ZINC000162224031 551605492 /nfs/dbraw/zinc/60/54/92/551605492.db2.gz FKIBIISHWMVSPH-JKSUJKDBSA-N 1 0 396.373 2.942 20 0 GFADRO C[C@H]1C[C@@H](N(C)S(=O)(=O)c2cc(F)c(Br)cc2F)CC[N@@H+]1C ZINC000162708256 551612093 /nfs/dbraw/zinc/61/20/93/551612093.db2.gz WMIVOSFIORRPJT-UWVGGRQHSA-N 1 0 397.285 2.831 20 0 GFADRO CCCC[C@H](C[NH3+])NC(=O)[C@@H](NC(=O)c1ccccc1Br)C(C)C ZINC000162783317 551612573 /nfs/dbraw/zinc/61/25/73/551612573.db2.gz HPIZSXBSIHGGHK-CJNGLKHVSA-N 1 0 398.345 2.837 20 0 GFADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)CCCc1ccccc1Br ZINC000164642535 551626585 /nfs/dbraw/zinc/62/65/85/551626585.db2.gz IBJFPMRRJDXOQP-HNNXBMFYSA-N 1 0 382.346 2.524 20 0 GFADRO C[NH+](C)C[C@@H](O)COc1ccc(NC(=O)c2occc2Br)cc1 ZINC000164844068 551627934 /nfs/dbraw/zinc/62/79/34/551627934.db2.gz WHWAYDKTUYXUSI-GFCCVEGCSA-N 1 0 383.242 2.596 20 0 GFADRO CSc1nnc(CCC[NH2+]C2CCN(CC(F)F)CC2)n1CC(C)C ZINC000165671690 551629659 /nfs/dbraw/zinc/62/96/59/551629659.db2.gz MMWONDQNKAOOJT-UHFFFAOYSA-N 1 0 375.533 2.908 20 0 GFADRO COc1ccc(C)cc1[C@H](C)[NH2+]C1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000168075644 551634163 /nfs/dbraw/zinc/63/41/63/551634163.db2.gz XCJXZJUQZCDFMG-LBPRGKRZSA-N 1 0 380.432 2.968 20 0 GFADRO C[C@H](CCNC(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1)[S@](C)=O ZINC000169133133 551634876 /nfs/dbraw/zinc/63/48/76/551634876.db2.gz JFTUBTUMKAIVQB-SGANQWHYSA-N 1 0 383.583 2.557 20 0 GFADRO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CC1(N(C)C)CCOCC1 ZINC000168338420 551634966 /nfs/dbraw/zinc/63/49/66/551634966.db2.gz JDNGSHPIPBRQLY-CQSZACIVSA-N 1 0 398.345 2.867 20 0 GFADRO C[NH+](C)[C@H]1CCN(C(=O)CCc2nc(-c3cc(Br)cs3)no2)C1 ZINC000170855755 551641602 /nfs/dbraw/zinc/64/16/02/551641602.db2.gz GUEFFIDMVWUGJE-NSHDSACASA-N 1 0 399.314 2.656 20 0 GFADRO COCCC[NH+]1CCC(NC(=O)c2cccnc2SC(F)(F)F)CC1 ZINC000171122419 551648079 /nfs/dbraw/zinc/64/80/79/551648079.db2.gz MAENSMHVOCBETB-UHFFFAOYSA-N 1 0 377.432 2.924 20 0 GFADRO Cc1c(Br)cccc1NC(=O)C(=O)NC1CC[NH+](CC(C)C)CC1 ZINC000171222754 551650293 /nfs/dbraw/zinc/65/02/93/551650293.db2.gz ZULWVSADQJDCFB-UHFFFAOYSA-N 1 0 396.329 2.933 20 0 GFADRO Cc1c(Br)cccc1NC(=O)C(=O)NCC[NH+]1CCCCCC1 ZINC000171224901 551650439 /nfs/dbraw/zinc/65/04/39/551650439.db2.gz DUILLSVAMPTDBH-UHFFFAOYSA-N 1 0 382.302 2.688 20 0 GFADRO Cc1c(Br)cccc1NC(=O)C(=O)NCC[NH+](C(C)C)C(C)C ZINC000171217941 551650457 /nfs/dbraw/zinc/65/04/57/551650457.db2.gz VGRIDBJYXGKJFL-UHFFFAOYSA-N 1 0 384.318 2.931 20 0 GFADRO COc1ccc(OC)c(CC[NH2+][C@@H](C(N)=O)c2ccc(Br)cc2)c1 ZINC000171758736 551662652 /nfs/dbraw/zinc/66/26/52/551662652.db2.gz XFCSHPWSEKLCJZ-QGZVFWFLSA-N 1 0 393.281 2.825 20 0 GFADRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(Cc2ccc(Br)cn2)CC1 ZINC000171972535 551668177 /nfs/dbraw/zinc/66/81/77/551668177.db2.gz MNSIQUJKWDCKOG-HZPDHXFCSA-N 1 0 381.362 2.835 20 0 GFADRO COCC[C@@](C)(O)C[NH2+]Cc1cc(Br)c(OC(F)F)c(OC)c1 ZINC000172071574 551669957 /nfs/dbraw/zinc/66/99/57/551669957.db2.gz OEPXZTYKAFCWIQ-OAHLLOKOSA-N 1 0 398.244 2.936 20 0 GFADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2nc(SC)ncc2Cl)[C@H](C)C1 ZINC000172267314 551674770 /nfs/dbraw/zinc/67/47/70/551674770.db2.gz VIJQVASDELDJIZ-OCCSQVGLSA-N 1 0 386.949 2.719 20 0 GFADRO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NCCOc1cccc(Br)c1 ZINC000172650015 551684022 /nfs/dbraw/zinc/68/40/22/551684022.db2.gz GCAMDERIWSITHI-QGZVFWFLSA-N 1 0 399.329 2.737 20 0 GFADRO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)c1c[nH]c(=O)c(Br)c1 ZINC000172972527 551691168 /nfs/dbraw/zinc/69/11/68/551691168.db2.gz HEVFIYSNLHDSBU-UHFFFAOYSA-N 1 0 390.281 2.663 20 0 GFADRO O=S(=O)(/C=C/c1ccc(Br)cc1)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000173024057 551692536 /nfs/dbraw/zinc/69/25/36/551692536.db2.gz AYGYTYZROIBPSN-QSYFUGGGSA-N 1 0 385.327 2.824 20 0 GFADRO CN(CC(C)(C)C[NH3+])C(=O)C(=O)Nc1cc(F)c(Br)c(Cl)c1 ZINC000415478673 563778146 /nfs/dbraw/zinc/77/81/46/563778146.db2.gz DGSCWJMRKDJBFO-UHFFFAOYSA-N 1 0 394.672 2.623 20 0 GFADRO C[C@H](CCCC[NH3+])NC(=O)C(=O)Nc1cc(F)c(Br)cc1Cl ZINC000415748271 563793562 /nfs/dbraw/zinc/79/35/62/563793562.db2.gz YLVREJZIUYPKNU-MRVPVSSYSA-N 1 0 394.672 2.814 20 0 GFADRO COc1ccc(NC(=O)N2C[C@@H](C[NH3+])C[C@@H]2C)c(I)c1 ZINC000415602552 563786887 /nfs/dbraw/zinc/78/68/87/563786887.db2.gz YDVOTEVQXITCFT-VHSXEESVSA-N 1 0 389.237 2.501 20 0 GFADRO CC[NH+]1CCC(CCNC(=O)C(=O)Nc2cc(Br)ccc2C)CC1 ZINC000173198012 552079178 /nfs/dbraw/zinc/07/91/78/552079178.db2.gz TVBRTQHLRFCQSX-UHFFFAOYSA-N 1 0 396.329 2.934 20 0 GFADRO CC[NH+]1CCN(CCCNC(=O)c2cc(Br)cn2C(C)C)CC1 ZINC000173474818 552086032 /nfs/dbraw/zinc/08/60/32/552086032.db2.gz QMCHWEOLEVLSBE-UHFFFAOYSA-N 1 0 385.350 2.589 20 0 GFADRO O=S(=O)(c1cnc(Cl)c(Cl)c1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000173632071 552089137 /nfs/dbraw/zinc/08/91/37/552089137.db2.gz JLQOPBBOOYUNNX-LBPRGKRZSA-N 1 0 378.325 2.885 20 0 GFADRO CCC[N@H+](C)C[C@H]1CCN(S(=O)(=O)c2cccc(OC(F)(F)F)c2)C1 ZINC000173950560 552095778 /nfs/dbraw/zinc/09/57/78/552095778.db2.gz USJDRGISCPXAMN-CYBMUJFWSA-N 1 0 380.432 2.938 20 0 GFADRO O[C@H](COc1c(Cl)cccc1Cl)C[N@@H+]1CCC[C@@H]1CN1CCOCC1 ZINC000174025359 552097044 /nfs/dbraw/zinc/09/70/44/552097044.db2.gz IJRZQUFPWUAIFO-CABCVRRESA-N 1 0 389.323 2.530 20 0 GFADRO Cc1cc(N2CC[C@@H]([NH2+][C@@H]3CCc4c3cccc4Br)C2=O)n(C)n1 ZINC000174049052 552097352 /nfs/dbraw/zinc/09/73/52/552097352.db2.gz DXQIPQVJRXJAHM-HZPDHXFCSA-N 1 0 389.297 2.873 20 0 GFADRO C[NH+]1CCC(C(=O)NC2(c3ccc(Br)cc3)CCOCC2)CC1 ZINC000174215557 552102336 /nfs/dbraw/zinc/10/23/36/552102336.db2.gz IMTRKXKJZCVLSF-UHFFFAOYSA-N 1 0 381.314 2.913 20 0 GFADRO C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000174202430 552102479 /nfs/dbraw/zinc/10/24/79/552102479.db2.gz IZDSHRVCTMWPSJ-UONOGXRCSA-N 1 0 387.307 2.941 20 0 GFADRO C[C@H]1C[C@H](N(C)C(=O)NCCOc2ccc(Br)cc2)CC[N@@H+]1C ZINC000174411312 552103715 /nfs/dbraw/zinc/10/37/15/552103715.db2.gz HSMMOIBRRRYASS-DZGCQCFKSA-N 1 0 384.318 2.952 20 0 GFADRO COc1cc(C(=O)N2CC[C@@H]3CC[C@H](C2)[N@@H+]3C)cc(OC)c1Br ZINC000174659172 552108020 /nfs/dbraw/zinc/10/80/20/552108020.db2.gz HVMBAHUARHNENG-QWHCGFSZSA-N 1 0 383.286 2.775 20 0 GFADRO Cc1cccc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c1I ZINC000174662282 552108182 /nfs/dbraw/zinc/10/81/82/552108182.db2.gz YRCUAQDSJIBGQJ-OLZOCXBDSA-N 1 0 384.261 2.908 20 0 GFADRO C[N@H+]1[C@@H]2CC[C@H]1CCN(C(=O)c1cc(Br)c3c(c1)OCCO3)C2 ZINC000174699860 552108789 /nfs/dbraw/zinc/10/87/89/552108789.db2.gz WYDJTEZLIYJZFH-QWHCGFSZSA-N 1 0 381.270 2.529 20 0 GFADRO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CNC(=O)c1ccc(Cl)c(Cl)c1 ZINC000174964549 552113190 /nfs/dbraw/zinc/11/31/90/552113190.db2.gz AOVHEPGWQLKMMO-ZIAGYGMSSA-N 1 0 384.307 2.808 20 0 GFADRO CNC(=O)CC1CC[NH+](CCC(=O)Nc2ccccc2Br)CC1 ZINC000175026129 552114196 /nfs/dbraw/zinc/11/41/96/552114196.db2.gz IBGUMZVQICGFMW-UHFFFAOYSA-N 1 0 382.302 2.626 20 0 GFADRO O[C@@H](COc1ccc(Cl)cc1Cl)CN1CC[NH+](C2CCOCC2)CC1 ZINC000175486781 552122749 /nfs/dbraw/zinc/12/27/49/552122749.db2.gz QKYKEOYSYZRFOX-MRXNPFEDSA-N 1 0 389.323 2.530 20 0 GFADRO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NCc1cc(F)cc(Br)c1 ZINC000175588377 552125787 /nfs/dbraw/zinc/12/57/87/552125787.db2.gz QPCQJCWMDQGIPG-INIZCTEOSA-N 1 0 387.293 2.998 20 0 GFADRO COc1ccc(CNC(=O)[C@H]([NH2+]C2CCOCC2)C(C)C)cc1Br ZINC000175896353 552131351 /nfs/dbraw/zinc/13/13/51/552131351.db2.gz HWAUXQZTCASLSV-QGZVFWFLSA-N 1 0 399.329 2.867 20 0 GFADRO O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)N1CC[C@](O)(C(F)(F)F)C1 ZINC000175883148 552131627 /nfs/dbraw/zinc/13/16/27/552131627.db2.gz CKYMJVXABXQEJL-SWLSCSKDSA-N 1 0 377.432 2.594 20 0 GFADRO O=C(c1cc(=O)[nH]c2c(Br)cccc12)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000176107682 552135886 /nfs/dbraw/zinc/13/58/86/552135886.db2.gz BOYBADNDYZMYRD-GFCCVEGCSA-N 1 0 390.281 2.601 20 0 GFADRO CN1CCC([NH+]2CCC(NC(=O)c3c(F)cccc3Br)CC2)CC1 ZINC000176289418 552137497 /nfs/dbraw/zinc/13/74/97/552137497.db2.gz TYBYQCZWSUNSCL-UHFFFAOYSA-N 1 0 398.320 2.877 20 0 GFADRO O=C(NC[C@@H]1CSCCS1)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000176386923 552139985 /nfs/dbraw/zinc/13/99/85/552139985.db2.gz BOAHTFSQECJUCF-GOSISDBHSA-N 1 0 379.595 2.841 20 0 GFADRO CCN1CC[NH+](C[C@H](C)CNC(=O)c2ccc(C)c(Br)c2)CC1 ZINC000176829151 552146837 /nfs/dbraw/zinc/14/68/37/552146837.db2.gz OJQVMKFDIWGAHG-CQSZACIVSA-N 1 0 382.346 2.761 20 0 GFADRO CCO[C@@H](CC[NH+](C)C)CNC(=O)[C@H](C)Oc1ccc(Br)cc1 ZINC000176857046 552147530 /nfs/dbraw/zinc/14/75/30/552147530.db2.gz SDEHMZVCWLVUQF-BBRMVZONSA-N 1 0 387.318 2.689 20 0 GFADRO Cc1ccc(NC(=O)C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)cc1Br ZINC000178023906 552162715 /nfs/dbraw/zinc/16/27/15/552162715.db2.gz JNLUQLSXXUVUPC-OCCSQVGLSA-N 1 0 382.302 2.685 20 0 GFADRO CCS(=O)(=O)N(C)CCC[NH2+][C@H](C)c1ccc(F)cc1Br ZINC000178071915 552163869 /nfs/dbraw/zinc/16/38/69/552163869.db2.gz FKUCUDQUKSWKKB-LLVKDONJSA-N 1 0 381.311 2.910 20 0 GFADRO COc1ccccc1[C@@H](C)[NH2+]CC1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000178107751 552164295 /nfs/dbraw/zinc/16/42/95/552164295.db2.gz LANITUIDBFCXSN-GFCCVEGCSA-N 1 0 380.432 2.907 20 0 GFADRO O=C(NCc1ccc(O)c(Br)c1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000178267348 552167795 /nfs/dbraw/zinc/16/77/95/552167795.db2.gz KMVYJHBUOFIXAB-AWEZNQCLSA-N 1 0 382.302 2.925 20 0 GFADRO C[C@@H]([NH2+]C[C@H](O)COc1ccc(I)cc1)C1CCC1 ZINC000178519374 552172077 /nfs/dbraw/zinc/17/20/77/552172077.db2.gz YAJMYRCLZHJCAC-RISCZKNCSA-N 1 0 375.250 2.809 20 0 GFADRO O=C(NC[C@H]1CCC[NH2+]1)[C@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000178776377 552174795 /nfs/dbraw/zinc/17/47/95/552174795.db2.gz DNEHGTZFTAHQSH-UONOGXRCSA-N 1 0 384.307 2.714 20 0 GFADRO C[C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000178828754 552176787 /nfs/dbraw/zinc/17/67/87/552176787.db2.gz WEGAXNARDTUFGT-KGLIPLIRSA-N 1 0 386.323 2.975 20 0 GFADRO C[C@H]([NH3+])C1CCN(C(=O)[C@H]2CC(=O)N(c3cc(Cl)cc(Cl)c3)C2)CC1 ZINC000178870272 552178381 /nfs/dbraw/zinc/17/83/81/552178381.db2.gz QOMMHTSTXVIDTI-AAEUAGOBSA-N 1 0 384.307 2.932 20 0 GFADRO CS(=O)(=O)N1CCC(C[NH2+][C@@H]2CCc3c2cccc3Br)CC1 ZINC000179210301 552186679 /nfs/dbraw/zinc/18/66/79/552186679.db2.gz RVUDVYYATHFEHI-MRXNPFEDSA-N 1 0 387.343 2.698 20 0 GFADRO CC[C@@H](CO)[NH+]1CCN(C(=O)C[C@@H](C)c2ccc(Br)cc2)CC1 ZINC000179402983 552192134 /nfs/dbraw/zinc/19/21/34/552192134.db2.gz LPXNDOLZOXBJPF-PBHICJAKSA-N 1 0 383.330 2.858 20 0 GFADRO CC(C)CS(=O)(=O)N1CCC([NH2+][C@@H](C)c2ccc([S@@](C)=O)cc2)CC1 ZINC000180015738 552209837 /nfs/dbraw/zinc/20/98/37/552209837.db2.gz WRXHYZAOWLUEDE-IZHWHUGBSA-N 1 0 386.583 2.525 20 0 GFADRO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1cc(F)c(Br)c(F)c1 ZINC000180047463 552211008 /nfs/dbraw/zinc/21/10/08/552211008.db2.gz JIPSXBBCNUYAGD-VIFPVBQESA-N 1 0 392.244 2.512 20 0 GFADRO COc1cc(/C=C/C(=O)N(C)[C@H]2CC[N@H+](C)C[C@@H]2C)cc(Br)c1O ZINC000180061098 552211801 /nfs/dbraw/zinc/21/18/01/552211801.db2.gz WRNGWWCOEATZKR-MAPJRGFJSA-N 1 0 397.313 2.975 20 0 GFADRO CCC[N@H+](CC)CCNS(=O)(=O)c1cc(F)c(Br)cc1OC ZINC000180075155 552212048 /nfs/dbraw/zinc/21/20/48/552212048.db2.gz QGJRNRKAPZDNJB-UHFFFAOYSA-N 1 0 397.310 2.607 20 0 GFADRO O=S(=O)(C1CC1)N1CCC([NH2+][C@H]2CCc3c2cccc3Br)CC1 ZINC000180188345 552216985 /nfs/dbraw/zinc/21/69/85/552216985.db2.gz HUJGQNKWEFMSCE-KRWDZBQOSA-N 1 0 399.354 2.983 20 0 GFADRO CC(C)(C)c1ncc(C[NH2+]CCOc2ccc(NS(C)(=O)=O)cc2)s1 ZINC000180352367 552223499 /nfs/dbraw/zinc/22/34/99/552223499.db2.gz PXTCGDBOEWKCMH-UHFFFAOYSA-N 1 0 383.539 2.981 20 0 GFADRO CCC[N@H+](C)C[C@H]1CCN(S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)C1 ZINC000180358891 552224099 /nfs/dbraw/zinc/22/40/99/552224099.db2.gz HWWJLGDSBPJPBF-SECBINFHSA-N 1 0 386.386 2.735 20 0 GFADRO C[C@H](C[N@H+](C)C1CCN(S(C)(=O)=O)CC1)c1cccc(Br)c1 ZINC000180630648 552231642 /nfs/dbraw/zinc/23/16/42/552231642.db2.gz FKUWRQQGPIMOKT-CYBMUJFWSA-N 1 0 389.359 2.908 20 0 GFADRO CCSc1ccccc1[C@H](C)[NH2+]CCS(=O)(=O)NC[C@@H]1CCCCO1 ZINC000180742619 552234432 /nfs/dbraw/zinc/23/44/32/552234432.db2.gz BDQORXNGTYINBV-HOTGVXAUSA-N 1 0 386.583 2.938 20 0 GFADRO Brc1ccc2c(c1)C=C(C[NH2+]C[C@@H]1COC3(CCOCC3)O1)CO2 ZINC000181080940 552245775 /nfs/dbraw/zinc/24/57/75/552245775.db2.gz BVATZUSSBVXVIR-MRXNPFEDSA-N 1 0 396.281 2.737 20 0 GFADRO C[NH+](C)Cc1cccc(C(=O)N[C@@H](CO)c2cccc(Br)c2)c1 ZINC000181104076 552246926 /nfs/dbraw/zinc/24/69/26/552246926.db2.gz LXLHIUNXZKZYBI-KRWDZBQOSA-N 1 0 377.282 2.974 20 0 GFADRO CS(=O)(=O)CCOCC[NH2+][C@H]1CCCOc2c(Cl)c(Cl)ccc21 ZINC000181149081 552248521 /nfs/dbraw/zinc/24/85/21/552248521.db2.gz DDERMZQAEBFWCH-ZDUSSCGKSA-N 1 0 382.309 2.858 20 0 GFADRO Cn1ncc2c1CCC[C@H]2[NH2+]C[C@@H](O)COc1ccccc1Br ZINC000181360208 552254871 /nfs/dbraw/zinc/25/48/71/552254871.db2.gz LUSQTYWAVJMXOT-IUODEOHRSA-N 1 0 380.286 2.590 20 0 GFADRO C[C@H]1CCC[C@H](CO)[N@@H+]1CC(=O)N(C)Cc1cc(Br)cs1 ZINC000181402132 552256027 /nfs/dbraw/zinc/25/60/27/552256027.db2.gz JWRZARNOUPUJSN-WCQYABFASA-N 1 0 375.332 2.704 20 0 GFADRO C[C@@H]([NH2+]C[C@H](O)CS(=O)(=O)c1cccs1)c1cnc2ccsc2c1 ZINC000181636336 552263598 /nfs/dbraw/zinc/26/35/98/552263598.db2.gz ULSPCGMNQWSMHF-YPMHNXCESA-N 1 0 382.532 2.843 20 0 GFADRO Cc1c(Cl)cccc1NC(=O)CN[C@H](CS(C)(=O)=O)c1ccccc1 ZINC000181792910 552267700 /nfs/dbraw/zinc/26/77/00/552267700.db2.gz KWGIDRJTGBBHMK-QGZVFWFLSA-N 1 0 380.897 2.962 20 0 GFADRO CCO[C@H]1C[C@H]([NH2+]C2CCN(S(=O)(=O)C(F)(F)F)CC2)C12CCCC2 ZINC000181884470 552270110 /nfs/dbraw/zinc/27/01/10/552270110.db2.gz KAFRIMUVMKFCLE-KBPBESRZSA-N 1 0 384.464 2.628 20 0 GFADRO CC[C@H](CO)[NH+]1CCN(CCCc2ccc(Br)cc2OC)CC1 ZINC000181924819 552271307 /nfs/dbraw/zinc/27/13/07/552271307.db2.gz XYMPIDYTWWCGDD-QGZVFWFLSA-N 1 0 385.346 2.779 20 0 GFADRO NC(=O)C[C@H]([NH2+]C[C@H](O)COc1ccc(Br)cc1)C1CCCCC1 ZINC000182011889 552272836 /nfs/dbraw/zinc/27/28/36/552272836.db2.gz OKAAYWDOPSWGCP-RDJZCZTQSA-N 1 0 399.329 2.603 20 0 GFADRO O=S(=O)(C[C@@H](O)C[NH2+][C@@H]1CCCOc2cc(F)ccc21)c1cccs1 ZINC000182164592 552277030 /nfs/dbraw/zinc/27/70/30/552277030.db2.gz NMHDUIMDLMFEPW-DZGCQCFKSA-N 1 0 385.482 2.525 20 0 GFADRO CN(CCCN1CC[NH+](C)CC1)C(=O)NCCSc1ccc(Cl)cc1 ZINC000182236903 552279112 /nfs/dbraw/zinc/27/91/12/552279112.db2.gz RAPFRRXCKIKRRU-UHFFFAOYSA-N 1 0 384.977 2.711 20 0 GFADRO CCOC(=O)COc1c(Br)cc(C)cc1C[NH2+]CCn1cccn1 ZINC000182274272 552280434 /nfs/dbraw/zinc/28/04/34/552280434.db2.gz VVKUSLNFQSFROK-UHFFFAOYSA-N 1 0 396.285 2.686 20 0 GFADRO Cc1cc(NC(=O)N2CC[NH+](CC3CCOCC3)CC2)cnc1Br ZINC000182452349 552284493 /nfs/dbraw/zinc/28/44/93/552284493.db2.gz JBXGPFJLPJDAFT-UHFFFAOYSA-N 1 0 397.317 2.729 20 0 GFADRO CCS(=O)(=O)C[C@H](C)[NH2+]C[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000182592285 552288171 /nfs/dbraw/zinc/28/81/71/552288171.db2.gz OXUIYOMYEVVRRL-UONOGXRCSA-N 1 0 389.359 2.688 20 0 GFADRO CS(=O)(=O)[C@H]1CCCC[C@@H]1[NH2+]CCOc1cccc(Br)c1 ZINC000182653714 552289909 /nfs/dbraw/zinc/28/99/09/552289909.db2.gz QJBYFWXIRQASPD-GJZGRUSLSA-N 1 0 376.316 2.773 20 0 GFADRO [NH3+]C[C@@H]1CCCCN1S(=O)(=O)c1c(Cl)cc(F)cc1Br ZINC000183131166 552301517 /nfs/dbraw/zinc/30/15/17/552301517.db2.gz JKBBTCDFQIFTSN-VIFPVBQESA-N 1 0 385.686 2.744 20 0 GFADRO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1ccc(Cl)cc1OC(F)F ZINC000183523090 552311857 /nfs/dbraw/zinc/31/18/57/552311857.db2.gz QIDAAOZVFVDQFH-JTQLQIEISA-N 1 0 377.819 2.726 20 0 GFADRO CC[C@@H](C)[N@H+](C)CCNS(=O)(=O)c1cc(F)c(Br)cc1OC ZINC000183648383 552315846 /nfs/dbraw/zinc/31/58/46/552315846.db2.gz BYQWSXWVZQBKJJ-SNVBAGLBSA-N 1 0 397.310 2.605 20 0 GFADRO CC[N@H+](CCO)CCNC(=O)CCSc1ccnc2cc(Cl)ccc21 ZINC000183917254 552322799 /nfs/dbraw/zinc/32/27/99/552322799.db2.gz SRTGRYLOHJTSBK-UHFFFAOYSA-N 1 0 381.929 2.801 20 0 GFADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)/C=C/c1ccc(Br)s1 ZINC000184369886 552333893 /nfs/dbraw/zinc/33/38/93/552333893.db2.gz XYBUOJBYWHYURS-BPJJOFIESA-N 1 0 386.359 2.666 20 0 GFADRO Brc1cc2c(c(CN3CC[NH+](CC4CCOCC4)CC3)c1)OCC2 ZINC000184860995 552346242 /nfs/dbraw/zinc/34/62/42/552346242.db2.gz LDTRBEFIPGHIOK-UHFFFAOYSA-N 1 0 395.341 2.928 20 0 GFADRO C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)Nc2cc(Cl)cc(C(F)(F)F)c2)C1 ZINC000184932807 552348487 /nfs/dbraw/zinc/34/84/87/552348487.db2.gz OOIKDPSFVIARLP-CYBMUJFWSA-N 1 0 377.794 2.850 20 0 GFADRO CC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2ccc(Br)cc2F)C1 ZINC000184989317 552350265 /nfs/dbraw/zinc/35/02/65/552350265.db2.gz DJTFMUCKMXSNRF-NSHDSACASA-N 1 0 379.295 2.551 20 0 GFADRO Cc1nc(C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)nn1-c1c(Cl)cccc1Cl ZINC000184979308 552350418 /nfs/dbraw/zinc/35/04/18/552350418.db2.gz HIYDRIMXNDNCFA-WDMOLILDSA-N 1 0 380.279 2.692 20 0 GFADRO CC[NH+]1CCN([C@@H](C)CNC(=O)CCc2ccc(C)cc2Br)CC1 ZINC000185003462 552350984 /nfs/dbraw/zinc/35/09/84/552350984.db2.gz NDPSUMOBOIXZAQ-INIZCTEOSA-N 1 0 396.373 2.832 20 0 GFADRO COC(=O)c1cc(Cl)ccc1S(=O)(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000185093217 552353668 /nfs/dbraw/zinc/35/36/68/552353668.db2.gz OEJUNGXYQBOEDL-UHFFFAOYSA-N 1 0 388.917 2.527 20 0 GFADRO C[C@H](C[NH+]1CCCCCC1)NC(=O)CNC(=O)c1ccc(Br)cc1 ZINC000185417574 552362522 /nfs/dbraw/zinc/36/25/22/552362522.db2.gz OQAAITQNYUHRTF-CQSZACIVSA-N 1 0 396.329 2.560 20 0 GFADRO Nc1c(Br)cc(Br)cc1C[NH2+][C@@H]1CCCCNC1=O ZINC000185774001 552370386 /nfs/dbraw/zinc/37/03/86/552370386.db2.gz OQIUVRLUHBCSCB-LLVKDONJSA-N 1 0 391.107 2.552 20 0 GFADRO CCOc1cc(Br)c(CC(=O)NCC2=CC[NH2+]CC2)cc1OCC ZINC000186270843 552383371 /nfs/dbraw/zinc/38/33/71/552383371.db2.gz QGOHBIPZUAUBBO-UHFFFAOYSA-N 1 0 397.313 2.825 20 0 GFADRO Cc1nc(S(=O)(=O)N2CCC(CC[NH+](C)C)CC2)sc1Br ZINC000186314020 552384934 /nfs/dbraw/zinc/38/49/34/552384934.db2.gz CHQQKQBVAOEEKO-UHFFFAOYSA-N 1 0 396.376 2.566 20 0 GFADRO C[C@@H](NC(=O)c1c[nH]c(=O)c(Br)c1)[C@H](c1ccccc1)[NH+](C)C ZINC000186483422 552389149 /nfs/dbraw/zinc/38/91/49/552389149.db2.gz MWEPWZZYKRUKJE-IAQYHMDHSA-N 1 0 378.270 2.559 20 0 GFADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N(C)Cc1cccc(Cl)c1 ZINC000186603354 552391943 /nfs/dbraw/zinc/39/19/43/552391943.db2.gz QMMMVQQZQPPUDW-UHFFFAOYSA-N 1 0 384.933 2.536 20 0 GFADRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)c1ccc(I)cc1Cl ZINC000186700158 552395334 /nfs/dbraw/zinc/39/53/34/552395334.db2.gz UAGFTEDJUSHBAO-QPUJVOFHSA-N 1 0 378.641 2.672 20 0 GFADRO CN(CC[N@H+](C)C1CC1)C(=O)Cc1csc(NC(=O)c2cccs2)n1 ZINC000186742840 552396414 /nfs/dbraw/zinc/39/64/14/552396414.db2.gz LATJPQCTAPEMRM-UHFFFAOYSA-N 1 0 378.523 2.552 20 0 GFADRO CSCCCCC[NH2+][C@@H](C)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000186771499 552397562 /nfs/dbraw/zinc/39/75/62/552397562.db2.gz LLEIIUURHSMLHU-INIZCTEOSA-N 1 0 386.583 2.891 20 0 GFADRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)c1ccc(I)c(Cl)c1 ZINC000186877046 552400211 /nfs/dbraw/zinc/40/02/11/552400211.db2.gz KJONIBYCUAZUOL-QPUJVOFHSA-N 1 0 378.641 2.672 20 0 GFADRO C[C@@H](Oc1cccc(Br)c1)C(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C ZINC000186882239 552400484 /nfs/dbraw/zinc/40/04/84/552400484.db2.gz OMLDXUXIFZCYNY-ZIAGYGMSSA-N 1 0 399.329 2.520 20 0 GFADRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)c1nn(-c2ccc(F)cc2)cc1Br ZINC000186892312 552400699 /nfs/dbraw/zinc/40/06/99/552400699.db2.gz QYAWMJQZNUWJPA-HZMBPMFUSA-N 1 0 381.249 2.502 20 0 GFADRO CC[C@@H](NC(=O)NCC[N@@H+]1CCCOCC1)c1nc(C(F)(F)F)cs1 ZINC000187239016 552409849 /nfs/dbraw/zinc/40/98/49/552409849.db2.gz PJMMMTLKWJYOLU-LLVKDONJSA-N 1 0 380.436 2.635 20 0 GFADRO [NH3+]Cc1cc(C(=O)N2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)co1 ZINC000187334876 552412940 /nfs/dbraw/zinc/41/29/40/552412940.db2.gz NHUVUOZNJOSDJQ-UHFFFAOYSA-N 1 0 382.247 2.643 20 0 GFADRO C[C@H]1CC[N@H+](CCC(=O)Nc2ccc(Br)cc2F)[C@H](C(N)=O)C1 ZINC000187414364 552414751 /nfs/dbraw/zinc/41/47/51/552414751.db2.gz CYZGBYPPBUGWAG-HZMBPMFUSA-N 1 0 386.265 2.503 20 0 GFADRO CC1(C[NH2+]Cc2cc(Br)cc(Br)c2N)OCCO1 ZINC000187487594 552417083 /nfs/dbraw/zinc/41/70/83/552417083.db2.gz FSBJNEMNERXRHU-UHFFFAOYSA-N 1 0 380.080 2.646 20 0 GFADRO Cc1cc(Br)cc(NC(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)c1 ZINC000187507931 552417254 /nfs/dbraw/zinc/41/72/54/552417254.db2.gz ZFUBDVFMJKARKG-AWEZNQCLSA-N 1 0 382.302 2.944 20 0 GFADRO CCO[C@@H]1C[C@@]([NH3+])(C(=O)N2CCc3c(Br)cccc3C2)C1(C)C ZINC000187608473 552420092 /nfs/dbraw/zinc/42/00/92/552420092.db2.gz NFYVIJVWKCWRJV-CRAIPNDOSA-N 1 0 381.314 2.866 20 0 GFADRO COCC[NH+]1CCC(NC(=O)NCc2cc(Br)ccc2C)CC1 ZINC000187619531 552420825 /nfs/dbraw/zinc/42/08/25/552420825.db2.gz ONKNCRZZYUORIQ-UHFFFAOYSA-N 1 0 384.318 2.668 20 0 GFADRO C[C@H]1CN(Cc2cc(Br)ccc2OC(F)F)CC[N@@H+]1CCO ZINC000187647796 552420942 /nfs/dbraw/zinc/42/09/42/552420942.db2.gz RSBGZSKDKXDNAI-NSHDSACASA-N 1 0 379.245 2.549 20 0 GFADRO Cc1ccc(Br)cc1CNC(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000187653700 552421323 /nfs/dbraw/zinc/42/13/23/552421323.db2.gz QTXJADXOCDJJPG-HNNXBMFYSA-N 1 0 396.329 2.621 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)NCCC[NH+]2CCCCC2)cc1Br ZINC000188052692 552433053 /nfs/dbraw/zinc/43/30/53/552433053.db2.gz IFXHTVHZNJMUTM-UHFFFAOYSA-N 1 0 396.329 2.997 20 0 GFADRO Cc1cc(S(=O)(=O)N2CCC(OCCC[NH+](C)C)CC2)sc1Cl ZINC000188083415 552434221 /nfs/dbraw/zinc/43/42/21/552434221.db2.gz ISUCDGIEJHDFCL-UHFFFAOYSA-N 1 0 380.963 2.831 20 0 GFADRO Cc1cc(S(=O)(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)sc1Cl ZINC000188114842 552435673 /nfs/dbraw/zinc/43/56/73/552435673.db2.gz ICAMKYCVACQWSY-KBPBESRZSA-N 1 0 392.974 2.756 20 0 GFADRO CCN(CCC[NH2+][C@H](C)Cc1ccc(Br)cc1)S(C)(=O)=O ZINC000188135284 552436675 /nfs/dbraw/zinc/43/66/75/552436675.db2.gz GKECYPZVYAESHI-CYBMUJFWSA-N 1 0 377.348 2.641 20 0 GFADRO C[C@H](Cc1ccc(Br)cc1)[NH2+]CCS(=O)(=O)NCC1CCC1 ZINC000188276677 552441460 /nfs/dbraw/zinc/44/14/60/552441460.db2.gz SJHVUEVPWHWRPH-CYBMUJFWSA-N 1 0 389.359 2.689 20 0 GFADRO CC(=O)N1CC(C(=O)N(CCC[NH+](C)C)Cc2ccc(Cl)c(Cl)c2)C1 ZINC000188313921 552442475 /nfs/dbraw/zinc/44/24/75/552442475.db2.gz BBEQUFSFRYVURO-UHFFFAOYSA-N 1 0 386.323 2.752 20 0 GFADRO C[C@H]1CN(C(=O)COc2cc(Cl)ccc2Cl)CC[N@@H+]1CC(C)(C)O ZINC000188708188 552453042 /nfs/dbraw/zinc/45/30/42/552453042.db2.gz GMKMOZSEOVPPEC-LBPRGKRZSA-N 1 0 375.296 2.676 20 0 GFADRO COc1sc(CN2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)cc1Br ZINC000188895613 552458107 /nfs/dbraw/zinc/45/81/07/552458107.db2.gz RGUQHORUCVPQJV-NSHDSACASA-N 1 0 377.348 2.796 20 0 GFADRO COCCC[N@H+](CCO)Cc1cn(-c2ccc(Br)cc2)nc1C ZINC000188930231 552458971 /nfs/dbraw/zinc/45/89/71/552458971.db2.gz ULLZKBJPEURCNB-UHFFFAOYSA-N 1 0 382.302 2.774 20 0 GFADRO Clc1ccc(Cc2nnc(N3CC[NH+](C[C@@H]4CCOC4)CC3)s2)cc1 ZINC000188958084 552459359 /nfs/dbraw/zinc/45/93/59/552459359.db2.gz DGPKHYCLIUANJY-HNNXBMFYSA-N 1 0 378.929 2.941 20 0 GFADRO CSc1ccccc1C[C@@H](C)[NH2+]Cc1ccc(S(=O)(=O)CCO)cc1 ZINC000189155858 552464456 /nfs/dbraw/zinc/46/44/56/552464456.db2.gz PWEHGNLRTNYPAY-OAHLLOKOSA-N 1 0 379.547 2.895 20 0 GFADRO Cc1cc(C(=O)NCC[N@@H+]2CCCOCC2)c2cc(Br)ccc2n1 ZINC000189391657 552470429 /nfs/dbraw/zinc/47/04/29/552470429.db2.gz XPNJHDCGKJBLNA-UHFFFAOYSA-N 1 0 392.297 2.758 20 0 GFADRO O=C(Nc1cc(Cl)c(Cl)cc1Cl)C(=O)N1CC[NH+]2CCC1CC2 ZINC000189783278 552479831 /nfs/dbraw/zinc/47/98/31/552479831.db2.gz IXJMVIQAAUSEIH-UHFFFAOYSA-N 1 0 376.671 2.892 20 0 GFADRO C[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cccnc1-c1ccc(Cl)s1 ZINC000189942694 552483329 /nfs/dbraw/zinc/48/33/29/552483329.db2.gz YBAHBNBTORBHBB-NSHDSACASA-N 1 0 378.885 2.612 20 0 GFADRO Cc1cc(F)c(Br)cc1S(=O)(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000190007518 552485097 /nfs/dbraw/zinc/48/50/97/552485097.db2.gz YXORCUUFGFBSMI-VXGBXAGGSA-N 1 0 393.322 3.000 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)C(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000190014866 552485448 /nfs/dbraw/zinc/48/54/48/552485448.db2.gz KPBOTBGJVDUGFC-HNNXBMFYSA-N 1 0 394.313 2.783 20 0 GFADRO C[NH+](C)C1CCN(CCNC(=O)c2c[nH]nc2-c2ccc(Cl)s2)CC1 ZINC000190096958 552487099 /nfs/dbraw/zinc/48/70/99/552487099.db2.gz PEUWMGVOXWAWNK-UHFFFAOYSA-N 1 0 381.933 2.547 20 0 GFADRO Cn1cc([C@H]2CSCCN2C(=O)NC[C@@H](c2cccs2)[NH+](C)C)cn1 ZINC000190425483 552495979 /nfs/dbraw/zinc/49/59/79/552495979.db2.gz QIQDEGZDQHZTDK-LSDHHAIUSA-N 1 0 379.555 2.584 20 0 GFADRO CCOc1cc(C[N@@H+]2CCSC[C@@H](C)C2)nc2nc(C(F)(F)F)nn21 ZINC000190448538 552496473 /nfs/dbraw/zinc/49/64/73/552496473.db2.gz VCIPVORWJDSAOH-JTQLQIEISA-N 1 0 375.420 2.727 20 0 GFADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2cc(Cl)c(F)c(Cl)c2)C1 ZINC000190567609 552501459 /nfs/dbraw/zinc/50/14/59/552501459.db2.gz BRXVEBINQKQBSK-JTQLQIEISA-N 1 0 376.259 2.871 20 0 GFADRO COc1cccc(C[NH2+]CCCNC(=O)c2cccc(Br)c2)n1 ZINC000190918958 552513368 /nfs/dbraw/zinc/51/33/68/552513368.db2.gz LXGCIWJXLVUEHR-UHFFFAOYSA-N 1 0 378.270 2.762 20 0 GFADRO Cc1cc(Br)cc(NC(=O)C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)c1 ZINC000190950497 552514552 /nfs/dbraw/zinc/51/45/52/552514552.db2.gz DSXBIEFVDSDZFX-CJNGLKHVSA-N 1 0 394.313 2.639 20 0 GFADRO C[NH+](C)Cc1ccnc(NC(=O)Cc2ccc(I)cc2)c1 ZINC000190962553 552514772 /nfs/dbraw/zinc/51/47/72/552514772.db2.gz QZBLTVCUPICTRD-UHFFFAOYSA-N 1 0 395.244 2.929 20 0 GFADRO CO[C@H](C)CCC(=O)Nc1ccc(CN2CC[NH+](C)CC2)c(Br)c1 ZINC000191084370 552517968 /nfs/dbraw/zinc/51/79/68/552517968.db2.gz VHHCMVDQBFXXKS-CQSZACIVSA-N 1 0 398.345 2.950 20 0 GFADRO C[C@H]1CC(O)C[C@H](C)N1Cc1csc(-c2ccc(S(C)(=O)=O)cc2)n1 ZINC000191275025 552523244 /nfs/dbraw/zinc/52/32/44/552523244.db2.gz CEJUQEARXYHCMV-STQMWFEESA-N 1 0 380.535 2.947 20 0 GFADRO COC(=O)[C@@](C)(C[NH2+][C@@H](C)Cn1cc(Br)cn1)c1ccccc1 ZINC000191577099 552531740 /nfs/dbraw/zinc/53/17/40/552531740.db2.gz FCHDFNXJYVUCCQ-GUYCJALGSA-N 1 0 380.286 2.755 20 0 GFADRO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1cccc(Cl)c1Br ZINC000192033092 552546576 /nfs/dbraw/zinc/54/65/76/552546576.db2.gz YJOMZTOKVUTHJM-JTQLQIEISA-N 1 0 390.709 2.888 20 0 GFADRO Cn1nc(Br)cc1C(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000192152725 552553567 /nfs/dbraw/zinc/55/35/67/552553567.db2.gz HQSIZPUURNQKCS-UHFFFAOYSA-N 1 0 391.313 2.919 20 0 GFADRO CC[C@@H]([NH2+]Cc1ccc(Br)c(Cl)c1)C(=O)N1CCOCC1 ZINC000192196923 552555849 /nfs/dbraw/zinc/55/58/49/552555849.db2.gz PTGKKQCBMSJNMO-CQSZACIVSA-N 1 0 375.694 2.830 20 0 GFADRO C[N@@H+]1CCC[C@H](CNS(=O)(=O)c2ccc(Cl)c(Br)c2)C1 ZINC000192207928 552556157 /nfs/dbraw/zinc/55/61/57/552556157.db2.gz PJHQJTHXYLZDIM-SNVBAGLBSA-N 1 0 381.723 2.723 20 0 GFADRO C[C@@H]1CN(C(=O)Nc2cc(Cl)c(N)c(Cl)c2)CC[N@@H+]1CC(C)(C)O ZINC000192314552 552559277 /nfs/dbraw/zinc/55/92/77/552559277.db2.gz OWDCPAJYYSGHAW-SNVBAGLBSA-N 1 0 375.300 2.885 20 0 GFADRO COC(=O)c1cccc(NC(=O)NCC2CC[NH+](C)CC2)c1Br ZINC000192424289 552563258 /nfs/dbraw/zinc/56/32/58/552563258.db2.gz YCDXSVNMYSYGGA-UHFFFAOYSA-N 1 0 384.274 2.699 20 0 GFADRO C[NH+](C)C1(CNC(=O)c2c(Cl)cccc2I)CC1 ZINC000416308167 563814822 /nfs/dbraw/zinc/81/48/22/563814822.db2.gz OVRORJNKDFPUTA-UHFFFAOYSA-N 1 0 378.641 2.769 20 0 GFADRO C[C@H]1COCCN1CC[NH+]1CCN(CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000192773447 552973279 /nfs/dbraw/zinc/97/32/79/552973279.db2.gz JLXSMRZKZSEHDS-INIZCTEOSA-N 1 0 386.367 2.874 20 0 GFADRO C[C@]1(c2ccc(Br)cc2)NC(=O)N(CC[NH+]2CCCCC2)C1=O ZINC000192790378 552973617 /nfs/dbraw/zinc/97/36/17/552973617.db2.gz DMIHZWOSGGWMKZ-QGZVFWFLSA-N 1 0 380.286 2.702 20 0 GFADRO CCN(CCC[NH+]1CCCC1)S(=O)(=O)c1cc(OC)c(OC)cc1Cl ZINC000192841454 552975765 /nfs/dbraw/zinc/97/57/65/552975765.db2.gz GCQPBDKSONYSFC-UHFFFAOYSA-N 1 0 390.933 2.854 20 0 GFADRO O=S(=O)(Cc1ccc(Cl)nc1)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000192981408 552979636 /nfs/dbraw/zinc/97/96/36/552979636.db2.gz SMGSMRHSTHGTST-INIZCTEOSA-N 1 0 379.913 2.677 20 0 GFADRO COc1ccc(Br)c(S(=O)(=O)N[C@@]2(C[NH3+])CCCC[C@H]2C)c1 ZINC000193032392 552980880 /nfs/dbraw/zinc/98/08/80/552980880.db2.gz CSZIVCLAOFRVEC-IAQYHMDHSA-N 1 0 391.331 2.644 20 0 GFADRO CC(C)[C@@H](CNS(=O)(=O)c1cccc(Cl)c1Cl)N1CC[NH+](C)CC1 ZINC000193099916 552983754 /nfs/dbraw/zinc/98/37/54/552983754.db2.gz ATEAQBLPAAMTKC-CQSZACIVSA-N 1 0 394.368 2.544 20 0 GFADRO C[NH+](C)CCOc1ccc(CNC(=O)c2ncccc2Br)cc1 ZINC000193122718 552984393 /nfs/dbraw/zinc/98/43/93/552984393.db2.gz GXWNATYHUYYFBA-UHFFFAOYSA-N 1 0 378.270 2.715 20 0 GFADRO COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N1CCC([C@@H](C)[NH3+])CC1 ZINC000193260610 552987888 /nfs/dbraw/zinc/98/78/88/552987888.db2.gz DHSOLYQEEFHGTR-CHWSQXEVSA-N 1 0 390.933 2.502 20 0 GFADRO Cc1cc(F)c(Br)cc1S(=O)(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000193271548 552988394 /nfs/dbraw/zinc/98/83/94/552988394.db2.gz TWWSGMUPNVFIQO-LLVKDONJSA-N 1 0 379.295 2.565 20 0 GFADRO Cc1cc(N2CC[C@@H]([NH2+][C@H](C)c3ccnn3C)C2=O)ccc1Br ZINC000193292998 552988779 /nfs/dbraw/zinc/98/87/79/552988779.db2.gz FTOJTPUSDYRLLX-IUODEOHRSA-N 1 0 377.286 2.947 20 0 GFADRO CCCN(C1CC[NH2+]CC1)S(=O)(=O)c1cc(C)cc(Br)c1 ZINC000193306349 552990196 /nfs/dbraw/zinc/99/01/96/552990196.db2.gz YWQBLBFZZOFKML-UHFFFAOYSA-N 1 0 375.332 2.910 20 0 GFADRO Cc1ccc(Br)c(S(=O)(=O)NCc2ccc3c(c2)C[NH2+]C3)c1 ZINC000193435332 552992693 /nfs/dbraw/zinc/99/26/93/552992693.db2.gz IQBHNZMRJGSINZ-UHFFFAOYSA-N 1 0 381.295 2.839 20 0 GFADRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)c2ccoc2Br)CC1 ZINC000193499642 552995035 /nfs/dbraw/zinc/99/50/35/552995035.db2.gz HQNLTFUPSVJNMY-ZIAGYGMSSA-N 1 0 384.318 2.673 20 0 GFADRO C[C@@H]1CCNC(=O)[C@@H]1[NH2+]Cc1ccc(Br)c(Br)c1 ZINC000193674680 552999994 /nfs/dbraw/zinc/99/99/94/552999994.db2.gz IZTZFQWXOGPJTB-PRHODGIISA-N 1 0 376.092 2.826 20 0 GFADRO CCS(=O)(=O)N1CC(C[NH2+]C2CC(c3ccc(Br)cc3)C2)C1 ZINC000194187676 553014060 /nfs/dbraw/zinc/01/40/60/553014060.db2.gz NBTFVZHXMBOPMS-UHFFFAOYSA-N 1 0 387.343 2.566 20 0 GFADRO O=C(NCc1ccccc1Br)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000194481176 553021907 /nfs/dbraw/zinc/02/19/07/553021907.db2.gz CGRATYYHVFHWNF-UHFFFAOYSA-N 1 0 396.329 2.703 20 0 GFADRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)Nc1ccc(Cl)cc1Cl ZINC000195055197 553037042 /nfs/dbraw/zinc/03/70/42/553037042.db2.gz OERWLPMIPDAWSD-ZDUSSCGKSA-N 1 0 388.295 2.501 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)c1ccc(F)cc1I ZINC000226194114 553060830 /nfs/dbraw/zinc/06/08/30/553060830.db2.gz BKTPPGNDRXBIPK-NOZJJQNGSA-N 1 0 376.213 2.772 20 0 GFADRO C[C@H]1CN(C(=O)c2cc(Cl)ccc2I)CC[C@H]1[NH3+] ZINC000226263706 553061349 /nfs/dbraw/zinc/06/13/49/553061349.db2.gz VLDFQUGOFOPHIU-QPUJVOFHSA-N 1 0 378.641 2.754 20 0 GFADRO COc1c(Br)cc(Cl)cc1S(=O)(=O)N[C@H]1CCC[NH2+]CC1 ZINC000226462117 553061500 /nfs/dbraw/zinc/06/15/00/553061500.db2.gz GDUONQCZJTYKNS-JTQLQIEISA-N 1 0 397.722 2.532 20 0 GFADRO C[C@@H](Sc1ccccc1Cl)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000229071962 553063985 /nfs/dbraw/zinc/06/39/85/553063985.db2.gz RUNFFLXNDFCJMZ-ZIAGYGMSSA-N 1 0 383.945 2.524 20 0 GFADRO O=S(=O)(N[C@@H]1CC[NH2+]C2(CCC2)C1)c1ccc(Br)c(F)c1 ZINC000232293454 553066647 /nfs/dbraw/zinc/06/66/47/553066647.db2.gz OZXXAIGHWWFZCS-SNVBAGLBSA-N 1 0 377.279 2.541 20 0 GFADRO O=C(CCC1CC[NH2+]CC1)N[C@@H]1CCN(c2ccccc2Br)C1 ZINC000236578068 553069470 /nfs/dbraw/zinc/06/94/70/553069470.db2.gz BGFMVXHRIVHYAJ-OAHLLOKOSA-N 1 0 380.330 2.924 20 0 GFADRO CC(C)[C@H]([NH3+])CCN(C)C(=O)[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000236608189 553069716 /nfs/dbraw/zinc/06/97/16/553069716.db2.gz BWUOSPNAMAADFE-HZPDHXFCSA-N 1 0 396.329 2.634 20 0 GFADRO O=C([C@H]1CC12CC[NH2+]CC2)N1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000236617592 553069893 /nfs/dbraw/zinc/06/98/93/553069893.db2.gz XLGDENHNGXENCS-CVEARBPZSA-N 1 0 379.298 2.739 20 0 GFADRO CC(C)[C@H]([NH3+])C(=O)N1CCC(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000236718821 553071103 /nfs/dbraw/zinc/07/11/03/553071103.db2.gz YEUCFDJMSZKTJN-HNNXBMFYSA-N 1 0 382.302 2.610 20 0 GFADRO CCOc1ccc(S(=O)(=O)N[C@H]2CCCC[C@H]2C[NH3+])cc1Br ZINC000236866175 553072194 /nfs/dbraw/zinc/07/21/94/553072194.db2.gz VUPUPAIKDSNPPN-FZMZJTMJSA-N 1 0 391.331 2.644 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)N[C@H](C[NH3+])CC(C)C ZINC000236829873 553072262 /nfs/dbraw/zinc/07/22/62/553072262.db2.gz AKXABBUFQXHSFS-CABCVRRESA-N 1 0 386.583 2.841 20 0 GFADRO CCN(CC)S(=O)(=O)c1cc(NC(=O)C2(C[NH3+])CCCC2)ccc1Cl ZINC000236974483 553073637 /nfs/dbraw/zinc/07/36/37/553073637.db2.gz GSJYLOOUZFKGIU-UHFFFAOYSA-N 1 0 387.933 2.828 20 0 GFADRO CC[NH2+]CC1CCN(S(=O)(=O)c2ccc(F)c(Br)c2)CC1 ZINC000237052261 553074267 /nfs/dbraw/zinc/07/42/67/553074267.db2.gz TXUQGUXVKWMWAS-UHFFFAOYSA-N 1 0 379.295 2.598 20 0 GFADRO COc1ccc(Br)cc1C(=O)CCC(=O)N1CCC[C@H](C[NH3+])C1 ZINC000237109644 553074754 /nfs/dbraw/zinc/07/47/54/553074754.db2.gz BVJHVYKLGMCGIM-GFCCVEGCSA-N 1 0 383.286 2.618 20 0 GFADRO COCC[C@@H](Cc1cccc(Br)c1)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000237106478 553074765 /nfs/dbraw/zinc/07/47/65/553074765.db2.gz XMEVFPFFWZRIIT-CVEARBPZSA-N 1 0 383.330 2.760 20 0 GFADRO COc1cc(S(=O)(=O)N[C@H](C[NH3+])C2CCCCC2)ccc1Br ZINC000237230215 553076078 /nfs/dbraw/zinc/07/60/78/553076078.db2.gz IFXKPPUOYCYCQC-CQSZACIVSA-N 1 0 391.331 2.644 20 0 GFADRO COCC[NH2+]CC(=O)Nc1nc(-c2cc(Br)cs2)cs1 ZINC000237258036 553076723 /nfs/dbraw/zinc/07/67/23/553076723.db2.gz ZHNWCIWYQYYNAI-UHFFFAOYSA-N 1 0 376.301 2.809 20 0 GFADRO C[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C1 ZINC000237336625 553076920 /nfs/dbraw/zinc/07/69/20/553076920.db2.gz OUYVFOVYIUFIGI-OCCSQVGLSA-N 1 0 384.307 2.804 20 0 GFADRO C[C@@H](NC(=O)[C@@]1(C)CCCC[NH2+]1)c1cc2c(cc1Br)OCCO2 ZINC000237395541 553076974 /nfs/dbraw/zinc/07/69/74/553076974.db2.gz YXEXNRGMTTWXKN-PIGZYNQJSA-N 1 0 383.286 2.930 20 0 GFADRO CSCC[C@H]([NH3+])C(=O)N[C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000237330472 553077015 /nfs/dbraw/zinc/07/70/15/553077015.db2.gz VBMJAAGYTCUFHY-JQWIXIFHSA-N 1 0 396.866 2.529 20 0 GFADRO C[C@@H](CC(=O)NCC(=O)Nc1ccc(Br)cc1)C1CC[NH2+]CC1 ZINC000237404342 553077688 /nfs/dbraw/zinc/07/76/88/553077688.db2.gz RDHZQUMXMAZWDE-LBPRGKRZSA-N 1 0 382.302 2.530 20 0 GFADRO C[C@@H]1CN(C(=O)CCC[S@@](=O)c2ccc(Br)cc2)[C@@H](C)C[NH2+]1 ZINC000237407841 553077702 /nfs/dbraw/zinc/07/77/02/553077702.db2.gz XVRNEZFTDUXBNY-GPAUDHNESA-N 1 0 387.343 2.546 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)c(Cl)c2)C1 ZINC000237478831 553078443 /nfs/dbraw/zinc/07/84/43/553078443.db2.gz XQQTZSPTRSJZFS-VHSXEESVSA-N 1 0 381.723 2.850 20 0 GFADRO O=C(C[NH2+]C[C@@H]1CCCO1)N1CCO[C@H](c2cc(F)c(Cl)cc2Cl)C1 ZINC000237708920 553081260 /nfs/dbraw/zinc/08/12/60/553081260.db2.gz RHYCYINEWWOKDK-ZBEGNZNMSA-N 1 0 391.270 2.801 20 0 GFADRO C[C@H]1CN(C(=O)[C@H]2CCCN(C(=O)c3ccc(Cl)c(Cl)c3)C2)CC[NH2+]1 ZINC000237770546 553081575 /nfs/dbraw/zinc/08/15/75/553081575.db2.gz WNFWYKBGGUYWHT-JSGCOSHPSA-N 1 0 384.307 2.666 20 0 GFADRO [NH3+]CCCOC1CCN(C(=O)CSCC(=O)c2ccc(Cl)cc2)CC1 ZINC000237820207 553082385 /nfs/dbraw/zinc/08/23/85/553082385.db2.gz PADCXBGDNPHMLH-UHFFFAOYSA-N 1 0 384.929 2.612 20 0 GFADRO Cc1c(C(=O)N[C@@H]2CCC[C@H]2C[NH3+])cnn1-c1cccc(Br)c1 ZINC000237833704 553082779 /nfs/dbraw/zinc/08/27/79/553082779.db2.gz CPUMWUDDVJFUIK-BLLLJJGKSA-N 1 0 377.286 2.800 20 0 GFADRO [NH3+]CCCOC1CCN(C(=O)C2(c3ccc(Br)cc3)CC2)CC1 ZINC000237829222 553082788 /nfs/dbraw/zinc/08/27/88/553082788.db2.gz PAEBCDSZHIIOKT-UHFFFAOYSA-N 1 0 381.314 2.837 20 0 GFADRO O=C(C[NH2+]C[C@@H]1CCCO1)Nc1ccnn1Cc1c(Cl)cccc1Cl ZINC000237846351 553082795 /nfs/dbraw/zinc/08/27/95/553082795.db2.gz MCNRPTDDXYNXAY-LBPRGKRZSA-N 1 0 383.279 2.945 20 0 GFADRO Cc1c(C(=O)N[C@H]2CCC[C@H]2C[NH3+])cnn1-c1cccc(Br)c1 ZINC000237849729 553082925 /nfs/dbraw/zinc/08/29/25/553082925.db2.gz CPUMWUDDVJFUIK-LRDDRELGSA-N 1 0 377.286 2.800 20 0 GFADRO Cc1c(C(=O)Nc2ccc(Br)c(F)c2)nnn1C1CC[NH2+]CC1 ZINC000237858949 553083201 /nfs/dbraw/zinc/08/32/01/553083201.db2.gz WSHRDZYPSDVHLV-UHFFFAOYSA-N 1 0 382.237 2.665 20 0 GFADRO [NH3+][C@@H]1CCC[C@H](C(=O)N2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)C1 ZINC000237891642 553083646 /nfs/dbraw/zinc/08/36/46/553083646.db2.gz BTPMZQBCJLEBLC-GXTWGEPZSA-N 1 0 384.307 2.795 20 0 GFADRO [NH3+][C@@H]1CC[C@@H](C(=O)NCC2(c3cccc(Br)c3)CCOCC2)C1 ZINC000237938809 553084084 /nfs/dbraw/zinc/08/40/84/553084084.db2.gz ONYWPWXOUIBDBH-CZUORRHYSA-N 1 0 381.314 2.741 20 0 GFADRO C[NH+]1CCN(c2ccc(NC(=O)Cc3ccccc3Br)nc2)CC1 ZINC000243786933 553088449 /nfs/dbraw/zinc/08/84/49/553088449.db2.gz QINZYDHJPQORRP-UHFFFAOYSA-N 1 0 389.297 2.777 20 0 GFADRO C[C@H](C(=O)NCC(=O)Nc1ccc(Br)cc1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000245202560 553089584 /nfs/dbraw/zinc/08/95/84/553089584.db2.gz SYXFTIYYRCZQCO-FRRDWIJNSA-N 1 0 382.302 2.765 20 0 GFADRO C[C@@H](Cc1ccc(Br)cc1)C(=O)NCCCC[N@@H+]1CCC[C@H]1CO ZINC000245789260 553097197 /nfs/dbraw/zinc/09/71/97/553097197.db2.gz WWENZWPGOSOIIF-YJBOKZPZSA-N 1 0 397.357 2.981 20 0 GFADRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)NCCOc2cccc(Br)c2)C1 ZINC000245911193 553099249 /nfs/dbraw/zinc/09/92/49/553099249.db2.gz FVHZXVOQGMCNEP-YOEHRIQHSA-N 1 0 396.329 2.954 20 0 GFADRO Cc1cccc(I)c1C(=O)N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000245973132 553100420 /nfs/dbraw/zinc/10/04/20/553100420.db2.gz FVNUSMYAWFJSAM-CHWSQXEVSA-N 1 0 384.261 2.908 20 0 GFADRO CN(C)C(=O)[C@@H]1CC[C@H](C[NH2+][C@H]2CCc3c2c(Br)ccc3F)O1 ZINC000246069352 553101339 /nfs/dbraw/zinc/10/13/39/553101339.db2.gz SKHUWUNVMAJQCS-ONERCXAPSA-N 1 0 385.277 2.801 20 0 GFADRO CC[C@H]([NH2+][C@H](C)C(=O)N(CC)[C@H]1CCS(=O)(=O)C1)c1cccc(Cl)c1 ZINC000246106034 553102402 /nfs/dbraw/zinc/10/24/02/553102402.db2.gz PCUDOVWQMMVVGC-COXVUDFISA-N 1 0 386.945 2.805 20 0 GFADRO CCC[N@H+](C[C@H](O)CO[C@@H](C)c1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000246266167 553105049 /nfs/dbraw/zinc/10/50/49/553105049.db2.gz LXGCBLQHJPYYCG-WBAXXEDZSA-N 1 0 389.945 2.678 20 0 GFADRO Cc1sc(Br)cc1S(=O)(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246236192 553105222 /nfs/dbraw/zinc/10/52/22/553105222.db2.gz NMZVMUICYXSYLW-ONGXEEELSA-N 1 0 381.361 2.922 20 0 GFADRO C[N@@H+]1CCC[C@H]2CN(C(=O)Cc3ccccc3I)CC[C@H]21 ZINC000246365455 553106854 /nfs/dbraw/zinc/10/68/54/553106854.db2.gz YPZYXHYTRBCQKH-GOEBONIOSA-N 1 0 398.288 2.776 20 0 GFADRO NC(=O)[C@H](c1ccc(Br)cc1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246436189 553107700 /nfs/dbraw/zinc/10/77/00/553107700.db2.gz CVCICFBHQGUQPB-QGTPRVQTSA-N 1 0 392.341 2.924 20 0 GFADRO O=C(CN1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1)NC[C@H]1CCCO1 ZINC000246538134 553109471 /nfs/dbraw/zinc/10/94/71/553109471.db2.gz JRGYDUONBRPLQN-VXGBXAGGSA-N 1 0 377.432 2.637 20 0 GFADRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)c1ccccc1OC(F)F ZINC000246509071 553109516 /nfs/dbraw/zinc/10/95/16/553109516.db2.gz OQPFONGTWAGJGS-MJBXVCDLSA-N 1 0 376.469 2.933 20 0 GFADRO C[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(Cl)c(S(=O)(=O)N(C)C)c2)[C@H]1C ZINC000246691178 553111414 /nfs/dbraw/zinc/11/14/14/553111414.db2.gz KEDPYNXATUVBLF-OLZOCXBDSA-N 1 0 387.933 2.649 20 0 GFADRO C[C@H](O)CN1CCN(C(=O)c2csc(-c3cccc(Cl)c3)n2)C[C@@H]1C ZINC000246722206 553112173 /nfs/dbraw/zinc/11/21/73/553112173.db2.gz LMWMPRNKNXGLEG-STQMWFEESA-N 1 0 379.913 2.991 20 0 GFADRO O[C@H](COc1c(Cl)cccc1Cl)C[N@@H+]1CCS[C@@H]2COCC[C@H]21 ZINC000246793477 553113526 /nfs/dbraw/zinc/11/35/26/553113526.db2.gz IWAMXEPDRDFZRH-NILFDRSVSA-N 1 0 378.321 2.939 20 0 GFADRO O[C@@H](COc1ccc(Cl)cc1Cl)C[N@@H+]1CCC[C@H]1CN1CCOCC1 ZINC000246961479 553116500 /nfs/dbraw/zinc/11/65/00/553116500.db2.gz AZDFPEUUPKLUSV-JKSUJKDBSA-N 1 0 389.323 2.530 20 0 GFADRO C[N@H+](CCC(=O)NCc1ccccc1Cl)[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000247019402 553117043 /nfs/dbraw/zinc/11/70/43/553117043.db2.gz XVDKDAJLTTWDSQ-DLBZAZTESA-N 1 0 386.945 2.634 20 0 GFADRO C[C@@H]1Cc2cc(S(=O)(=O)N3CC[C@H]4[C@H](CCC[N@@H+]4C)C3)cc(Cl)c2O1 ZINC000247214384 553120245 /nfs/dbraw/zinc/12/02/45/553120245.db2.gz XFJMWEPAIUKVTR-XNJGSVPQSA-N 1 0 384.929 2.768 20 0 GFADRO C[N@@H+]1CCC[C@@H]2CN(S(=O)(=O)c3ccc(OC(F)(F)F)cc3)CC[C@H]21 ZINC000247245337 553120349 /nfs/dbraw/zinc/12/03/49/553120349.db2.gz ZEMZBUNFBNXUDQ-IUODEOHRSA-N 1 0 378.416 2.690 20 0 GFADRO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)NCCSC(F)(F)F ZINC000247563654 553123978 /nfs/dbraw/zinc/12/39/78/553123978.db2.gz VFLKJZDMUVZIOX-GXTWGEPZSA-N 1 0 376.448 2.844 20 0 GFADRO CN(CCOc1ccc(Br)cc1)C(=O)C[N@@H+]1CCCC[C@@H]1CCO ZINC000247970866 553127174 /nfs/dbraw/zinc/12/71/74/553127174.db2.gz HMIDVZYMRNKFLX-MRXNPFEDSA-N 1 0 399.329 2.523 20 0 GFADRO [NH3+][C@@H]1CC[C@H]2CN(S(=O)(=O)c3c(Cl)cc(F)cc3Br)C[C@@H]12 ZINC000248629049 553131999 /nfs/dbraw/zinc/13/19/99/553131999.db2.gz OQEUHYAVSPLIKS-LPBBDHJYSA-N 1 0 397.697 2.599 20 0 GFADRO Cc1cc(NC(=O)C(=O)NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)ccc1Br ZINC000248864858 553136296 /nfs/dbraw/zinc/13/62/96/553136296.db2.gz GEZGJVBFXOXKSN-OCCSQVGLSA-N 1 0 396.329 2.933 20 0 GFADRO Cc1cc(Br)cc(S(=O)(=O)N(C)[C@H]2CC[N@@H+](C)C[C@H]2C)c1 ZINC000249073402 553138977 /nfs/dbraw/zinc/13/89/77/553138977.db2.gz MJBSWNWKRIJHTG-DOMZBBRYSA-N 1 0 375.332 2.718 20 0 GFADRO COC(=O)c1cc(Cl)ccc1S(=O)(=O)N[C@@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000249107168 553139451 /nfs/dbraw/zinc/13/94/51/553139451.db2.gz QOIIGFZUFLRFCS-STQMWFEESA-N 1 0 388.917 2.525 20 0 GFADRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Cc2ccc(I)cc2)C1 ZINC000249125962 553139491 /nfs/dbraw/zinc/13/94/91/553139491.db2.gz XIVIFMXZMXMFSJ-GOEBONIOSA-N 1 0 398.288 2.776 20 0 GFADRO C[C@@H](NC(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1)c1ccc(Br)cc1 ZINC000249129707 553139559 /nfs/dbraw/zinc/13/95/59/553139559.db2.gz RYHPAHHMLYDXHM-ZIAGYGMSSA-N 1 0 398.345 2.997 20 0 GFADRO C[C@@H](NC(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1)c1cccc(Br)c1 ZINC000249141211 553140302 /nfs/dbraw/zinc/14/03/02/553140302.db2.gz WBPDIUKECPEIOL-ZIAGYGMSSA-N 1 0 398.345 2.997 20 0 GFADRO C[C@@H](C(=O)N1CC[N@H+](CC(C)(C)O)C[C@@H]1C)c1ccc(Br)cc1 ZINC000249305383 553141419 /nfs/dbraw/zinc/14/14/19/553141419.db2.gz CVSDSBVKZDQHGI-UONOGXRCSA-N 1 0 383.330 2.856 20 0 GFADRO C[C@@H](C(=O)N1CC[N@H+](CC(C)(C)O)C[C@@H]1C)c1ccc(Br)s1 ZINC000249383001 553142151 /nfs/dbraw/zinc/14/21/51/553142151.db2.gz PJQMGWRKOFBIAF-NWDGAFQWSA-N 1 0 389.359 2.918 20 0 GFADRO CC[N@H+](C[C@@H](O)COc1c(Cl)cccc1Cl)C[C@@H](O)C(F)(F)F ZINC000249431956 553143074 /nfs/dbraw/zinc/14/30/74/553143074.db2.gz HEYAUDZQMSYNRV-BXKDBHETSA-N 1 0 376.202 2.978 20 0 GFADRO C[C@H](O)C[N@@H+]1CCN(CC(=O)Nc2cc(Cl)c(Cl)cc2Cl)[C@@H](C)C1 ZINC000249508788 553143705 /nfs/dbraw/zinc/14/37/05/553143705.db2.gz LZCJXSDTTDLDSV-QWRGUYRKSA-N 1 0 394.730 2.972 20 0 GFADRO C[C@H](O)C[N@@H+]1CCN(Cc2cc(Br)cc3cccnc32)[C@H](C)C1 ZINC000249496989 553143857 /nfs/dbraw/zinc/14/38/57/553143857.db2.gz HDQKACXMDBJJMK-KGLIPLIRSA-N 1 0 378.314 2.884 20 0 GFADRO Cc1n[nH]c(C)c1NC(=O)CN(C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000249751860 553146112 /nfs/dbraw/zinc/14/61/12/553146112.db2.gz RBUFMPUMLHITDB-RHSMWYFYSA-N 1 0 383.279 2.862 20 0 GFADRO O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1csc(I)c1 ZINC000252667936 553150454 /nfs/dbraw/zinc/15/04/54/553150454.db2.gz QEQSUIHWCCICGN-QWRGUYRKSA-N 1 0 376.263 2.709 20 0 GFADRO COc1ccccc1/C=C\C[NH2+]CCNS(=O)(=O)c1cc(C)sc1C ZINC000255472519 553152499 /nfs/dbraw/zinc/15/24/99/553152499.db2.gz BXBZAVVXRKTTBG-VURMDHGXSA-N 1 0 380.535 2.955 20 0 GFADRO C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)c1ccc(F)cc1I ZINC000261599310 553153821 /nfs/dbraw/zinc/15/38/21/553153821.db2.gz PMEAQYNTPMXVIZ-KKFJDGPESA-N 1 0 376.213 2.547 20 0 GFADRO C[NH2+][C@H](C)CNC(=O)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000261614046 553154141 /nfs/dbraw/zinc/15/41/41/553154141.db2.gz AKZSIMCWYQOKRK-SNVBAGLBSA-N 1 0 378.826 2.694 20 0 GFADRO CC1(C)C[NH2+]CC[C@@H]1NS(=O)(=O)c1ccc(Br)cc1Cl ZINC000261616787 553154539 /nfs/dbraw/zinc/15/45/39/553154539.db2.gz CVSQMHXLXMTMPH-LBPRGKRZSA-N 1 0 381.723 2.769 20 0 GFADRO O=C(c1c[nH]c(=O)c(Br)c1)N1CC[NH2+]C[C@H]1c1cccc(Cl)c1 ZINC000261630614 553154787 /nfs/dbraw/zinc/15/47/87/553154787.db2.gz CVYYUEWKFPVLKP-AWEZNQCLSA-N 1 0 396.672 2.990 20 0 GFADRO CCO[C@@H]1C[C@]([NH3+])(C(=O)N(C)Cc2cc(Br)ccc2OC)C1(C)C ZINC000261638218 553155144 /nfs/dbraw/zinc/15/51/44/553155144.db2.gz IDMZUMIDOQBJHA-QAPCUYQASA-N 1 0 399.329 2.949 20 0 GFADRO COCC1(CNC(=O)c2ccc(Br)cc2Cl)CC[NH2+]CC1 ZINC000261643062 553155427 /nfs/dbraw/zinc/15/54/27/553155427.db2.gz IVJRJZUDGBXUBV-UHFFFAOYSA-N 1 0 375.694 2.849 20 0 GFADRO C[C@@]([NH3+])(C(=O)N1CCC(c2c[nH]cn2)CC1)c1ccc(Br)cc1 ZINC000261681556 553155964 /nfs/dbraw/zinc/15/59/64/553155964.db2.gz GWZBVHAVMJVVBV-KRWDZBQOSA-N 1 0 377.286 2.752 20 0 GFADRO [NH3+][C@@H]1CCC[C@H]1CC(=O)NCCc1ccc(I)s1 ZINC000261720805 553157386 /nfs/dbraw/zinc/15/73/86/553157386.db2.gz JZKAIHSIYIVKRC-GXSJLCMTSA-N 1 0 378.279 2.529 20 0 GFADRO O=C(CC[C@H]1CC[NH2+]C1)N1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000261756107 553157793 /nfs/dbraw/zinc/15/77/93/553157793.db2.gz HPWVYOFWDFUPRY-ZDUSSCGKSA-N 1 0 384.307 2.668 20 0 GFADRO C[C@@H](Oc1ccc(F)cc1Br)C(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000261749971 553157902 /nfs/dbraw/zinc/15/79/02/553157902.db2.gz IXWQUQVNIRDJBA-GFCCVEGCSA-N 1 0 385.277 2.958 20 0 GFADRO [NH3+]C1(c2noc(-c3cc(S(=O)(=O)N4CCCC4)ccc3Cl)n2)CCC1 ZINC000261761205 553158428 /nfs/dbraw/zinc/15/84/28/553158428.db2.gz MJWCWJKNYSOSQL-UHFFFAOYSA-N 1 0 382.873 2.512 20 0 GFADRO C[C@H]([NH3+])CC(=O)N[C@@H](c1ccc(Cl)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000261800967 553160025 /nfs/dbraw/zinc/16/00/25/553160025.db2.gz KZXUIOPBTANIDO-SGTLLEGYSA-N 1 0 380.897 2.686 20 0 GFADRO Cc1ccc(Br)cc1C(=O)Nc1ccc(N2CC[NH2+]CC2)cn1 ZINC000261830583 553160321 /nfs/dbraw/zinc/16/03/21/553160321.db2.gz HZPKLXMPOAJLMB-UHFFFAOYSA-N 1 0 375.270 2.814 20 0 GFADRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)c1nn(-c2ccc(F)cc2)cc1Br ZINC000261818695 553160418 /nfs/dbraw/zinc/16/04/18/553160418.db2.gz NIGYFYMWVYJLSX-MNOVXSKESA-N 1 0 381.249 2.583 20 0 GFADRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)[C@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl ZINC000261846409 553160957 /nfs/dbraw/zinc/16/09/57/553160957.db2.gz PRXGPQOTXHRCJJ-XHBSWPGZSA-N 1 0 384.307 2.794 20 0 GFADRO Cc1cc(C(=O)N2C[C@@H](C[NH3+])C[C@@H]2C)nn1-c1ccc(Br)cc1 ZINC000261871060 553161568 /nfs/dbraw/zinc/16/15/68/553161568.db2.gz SHABMRRDHJUMLO-WCQYABFASA-N 1 0 377.286 2.753 20 0 GFADRO O=C(CC[C@H]1CC[NH2+]C1)NC[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000261879964 553161863 /nfs/dbraw/zinc/16/18/63/553161863.db2.gz RQNGNOGDQMRYMN-LSDHHAIUSA-N 1 0 380.330 2.781 20 0 GFADRO O=C(NCc1ccc(Br)cc1Cl)C1(n2cccn2)CC[NH2+]CC1 ZINC000261934842 553163060 /nfs/dbraw/zinc/16/30/60/553163060.db2.gz MDBIYAVQWOCBJN-UHFFFAOYSA-N 1 0 397.704 2.694 20 0 GFADRO FC(F)(F)c1cc(Br)cc(CN2CC[C@@H](N3CC[NH2+]CC3)C2)c1 ZINC000262086925 553165886 /nfs/dbraw/zinc/16/58/86/553165886.db2.gz GGTOMOXQZMSENK-OAHLLOKOSA-N 1 0 392.263 2.947 20 0 GFADRO O=C(C[C@@H]1COCC[NH2+]1)Nc1nc(-c2cccc(Br)c2)cs1 ZINC000262191251 553167485 /nfs/dbraw/zinc/16/74/85/553167485.db2.gz MATVZZXHYSZTDF-GFCCVEGCSA-N 1 0 382.283 2.890 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCCCN1S(=O)(=O)c1cccc(Br)c1Cl ZINC000262369688 553169703 /nfs/dbraw/zinc/16/97/03/553169703.db2.gz WOPYFGVTLGWXPB-GXSJLCMTSA-N 1 0 381.723 2.993 20 0 GFADRO O=C(Nc1cccc(C(=O)NC2CC[NH2+]CC2)c1)c1ccc(Br)o1 ZINC000262507058 553171935 /nfs/dbraw/zinc/17/19/35/553171935.db2.gz KRLKWFODUUVZHI-UHFFFAOYSA-N 1 0 392.253 2.776 20 0 GFADRO C[C@@H](C(=O)N1CCC[C@@H]1c1ccccc1I)C1C[NH2+]C1 ZINC000262568444 553172579 /nfs/dbraw/zinc/17/25/79/553172579.db2.gz SBORVXVWERGWHN-IAQYHMDHSA-N 1 0 384.261 2.810 20 0 GFADRO CC(C)(C[NH3+])NC(=O)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000262556406 553172584 /nfs/dbraw/zinc/17/25/84/553172584.db2.gz YVZGDDKQJFCJPV-UHFFFAOYSA-N 1 0 378.826 2.824 20 0 GFADRO O=C(c1nn(-c2ccc(F)cc2)cc1Br)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262608165 553172976 /nfs/dbraw/zinc/17/29/76/553172976.db2.gz CGDFSLYMPPCMJT-OLZOCXBDSA-N 1 0 393.260 2.740 20 0 GFADRO CCOc1ccc(Br)cc1CN(C(=O)C[NH2+]CCOC)C1CC1 ZINC000262621596 553173629 /nfs/dbraw/zinc/17/36/29/553173629.db2.gz IRJVZDRDRDUXFO-UHFFFAOYSA-N 1 0 385.302 2.575 20 0 GFADRO O=C(CCNc1ncc(C(F)(F)F)cc1Cl)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262632246 553173698 /nfs/dbraw/zinc/17/36/98/553173698.db2.gz NGYUKKJFMPZYPC-NEPJUHHUSA-N 1 0 376.810 2.909 20 0 GFADRO O=C(Nc1cccc(I)c1)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000262706120 553174124 /nfs/dbraw/zinc/17/41/24/553174124.db2.gz BNKUKFWBCNAPMP-CYBMUJFWSA-N 1 0 396.232 2.665 20 0 GFADRO O=C(Nc1ccc(C(=O)N[C@@H]2CCC[NH2+]C2)cc1)c1ccc(Br)o1 ZINC000262743181 553174543 /nfs/dbraw/zinc/17/45/43/553174543.db2.gz JFGYTYRQSDIJDN-CYBMUJFWSA-N 1 0 392.253 2.776 20 0 GFADRO O=C(NC[C@H](O)c1cc(Cl)cc(Cl)c1)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000262713533 553174566 /nfs/dbraw/zinc/17/45/66/553174566.db2.gz GBDFRSJPJQDZPB-ZBFHGGJFSA-N 1 0 383.279 2.578 20 0 GFADRO C[C@@H]1[C@H](C)[NH2+]CCN1S(=O)(=O)c1cc(Cl)c(Br)cc1F ZINC000262764662 553174975 /nfs/dbraw/zinc/17/49/75/553174975.db2.gz KJSXXNDDXZGNNE-JGVFFNPUSA-N 1 0 385.686 2.613 20 0 GFADRO [NH3+]C[C@H]1CCCC[C@@H]1NS(=O)(=O)c1cccc(Cl)c1Br ZINC000262753987 553174999 /nfs/dbraw/zinc/17/49/99/553174999.db2.gz HFCKDSLESOMURG-KOLCDFICSA-N 1 0 381.723 2.898 20 0 GFADRO C[C@H]1C[C@@H](NC(=O)CCc2nc(-c3cc(Br)cs3)no2)CC[NH2+]1 ZINC000262870156 553177804 /nfs/dbraw/zinc/17/78/04/553177804.db2.gz MGNDQYFGFIRCDE-ONGXEEELSA-N 1 0 399.314 2.750 20 0 GFADRO CO[C@H](C[NH3+])CC(=O)N1CCCC[C@@H]1C(=O)Nc1ccc(Cl)cc1Cl ZINC000262907015 553178132 /nfs/dbraw/zinc/17/81/32/553178132.db2.gz QGHDBXNDAGSTJD-SWLSCSKDSA-N 1 0 388.295 2.677 20 0 GFADRO C[C@H]1C[C@H](NC(=O)c2nn(-c3ccc(F)cc3)cc2Br)CC[NH2+]1 ZINC000262923736 553179076 /nfs/dbraw/zinc/17/90/76/553179076.db2.gz RYUYJXWRTIROJY-CMPLNLGQSA-N 1 0 381.249 2.644 20 0 GFADRO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000262946048 553179692 /nfs/dbraw/zinc/17/96/92/553179692.db2.gz VBWNIBLIDGDOLM-JOYOIKCWSA-N 1 0 379.254 2.734 20 0 GFADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000263689374 553191463 /nfs/dbraw/zinc/19/14/63/553191463.db2.gz MIJWJVRLNSZVAH-MRXNPFEDSA-N 1 0 386.323 2.595 20 0 GFADRO [NH3+]CCCOC1CCN(C(=O)NCc2ccsc2Br)CC1 ZINC000418151990 563900324 /nfs/dbraw/zinc/90/03/24/563900324.db2.gz GMHNVIXXQPSSJS-UHFFFAOYSA-N 1 0 376.320 2.550 20 0 GFADRO Cc1ccc(S(=O)(=O)N(C)CCC[NH+]2CCCC2)c(Br)c1 ZINC000541762011 564287873 /nfs/dbraw/zinc/28/78/73/564287873.db2.gz KPFNZFKBEHLXBQ-UHFFFAOYSA-N 1 0 375.332 2.864 20 0 GFADRO C[C@@H]1CN(C[C@H](O)C[NH2+]Cc2cc(Cl)cc(Br)c2)C[C@H](C)O1 ZINC000566673963 564338007 /nfs/dbraw/zinc/33/80/07/564338007.db2.gz JTEVDXYEKJYHNH-BFQNTYOBSA-N 1 0 391.737 2.662 20 0 GFADRO CC(C)[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2ccc(F)c(Br)c2)C1 ZINC000452109120 564394213 /nfs/dbraw/zinc/39/42/13/564394213.db2.gz XGMBOSBRQGZRGZ-NSHDSACASA-N 1 0 379.295 2.691 20 0 GFADRO O=C(NC[C@H]1CCC[N@H+]1CCCO)c1cc(Cl)cc(Br)c1 ZINC000452348454 564406819 /nfs/dbraw/zinc/40/68/19/564406819.db2.gz AIHFUZISKBQQFI-CQSZACIVSA-N 1 0 375.694 2.679 20 0 GFADRO CS(=O)(=O)C1(C[NH2+]Cc2cc(Br)cc3c2OCC3)CCCC1 ZINC000512972548 564416821 /nfs/dbraw/zinc/41/68/21/564416821.db2.gz UCIKHRLIWGNCRQ-UHFFFAOYSA-N 1 0 388.327 2.831 20 0 GFADRO COc1cc(Br)cc(S(=O)(=O)N[C@H](C)C(C)(C)C[NH+](C)C)c1 ZINC000545467534 564424539 /nfs/dbraw/zinc/42/45/39/564424539.db2.gz TXNVJWFIFGYCJC-LLVKDONJSA-N 1 0 393.347 2.712 20 0 GFADRO CC[C@H](CNS(C)(=O)=O)[NH2+][C@H]1CCCc2ccc(Br)cc21 ZINC000453281303 564451739 /nfs/dbraw/zinc/45/17/39/564451739.db2.gz KSYDOSOEKUUJJJ-HIFRSBDPSA-N 1 0 375.332 2.744 20 0 GFADRO C[C@@H]([NH2+]C[C@H]1CCS(=O)(=O)C1)c1ccc(F)c(I)c1 ZINC000453081513 564445336 /nfs/dbraw/zinc/44/53/36/564445336.db2.gz ULLQLGLSCSWNGJ-NXEZZACHSA-N 1 0 397.253 2.516 20 0 GFADRO CCC[C@@H](C)[C@H](CO)[NH2+]CC(=O)Nc1ccccc1I ZINC000576947050 564721202 /nfs/dbraw/zinc/72/12/02/564721202.db2.gz HRXLGWPFOFGPOH-RISCZKNCSA-N 1 0 390.265 2.616 20 0 GFADRO O=C(NCCc1c[nH]c2cccc(Br)c12)NC[C@H]1CCC[NH2+]C1 ZINC000418198604 563213408 /nfs/dbraw/zinc/21/34/08/563213408.db2.gz LYIWQRPTSIEOOZ-LBPRGKRZSA-N 1 0 379.302 2.772 20 0 GFADRO O=C(NCC1C[NH2+]C1)N[C@@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC000418214369 563214046 /nfs/dbraw/zinc/21/40/46/563214046.db2.gz IZRVCRMXDQLVOY-OAHLLOKOSA-N 1 0 377.286 2.826 20 0 GFADRO C[C@@H](CCC[NH3+])NC(=O)NCc1c(Br)cncc1Br ZINC000418232827 563214352 /nfs/dbraw/zinc/21/43/52/563214352.db2.gz FGVVIUXIXLFKIL-QMMMGPOBSA-N 1 0 394.111 2.533 20 0 GFADRO O=C(NCCCN1CC[NH2+]CC1)N1CCC[C@@H]1c1ccc(Br)cc1 ZINC000418292113 563215554 /nfs/dbraw/zinc/21/55/54/563215554.db2.gz XKFVUMBRKABMTA-QGZVFWFLSA-N 1 0 395.345 2.591 20 0 GFADRO COCCN(Cc1cc(Br)cs1)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000418314314 563215703 /nfs/dbraw/zinc/21/57/03/563215703.db2.gz JGZUVPOXXUKTPR-LBPRGKRZSA-N 1 0 390.347 2.668 20 0 GFADRO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)NCc1nc2c(cccc2Br)[nH]1 ZINC000418275177 563215866 /nfs/dbraw/zinc/21/58/66/563215866.db2.gz YSTBLGKPSMYAAE-CMPLNLGQSA-N 1 0 380.290 2.642 20 0 GFADRO C[NH2+]C[C@H](C)CNC(=O)N1CCO[C@@H](c2ccc(F)c(Br)c2)C1 ZINC000418368752 563216373 /nfs/dbraw/zinc/21/63/73/563216373.db2.gz SQHSTCFIJDSNQP-XHDPSFHLSA-N 1 0 388.281 2.527 20 0 GFADRO [NH3+]CCCNC(=O)N1CCC[C@@H]1c1nc(-c2ccccc2Br)no1 ZINC000418363471 563216543 /nfs/dbraw/zinc/21/65/43/563216543.db2.gz VWDDUBCNCFPKMX-CYBMUJFWSA-N 1 0 394.273 2.694 20 0 GFADRO CC(C)([NH3+])CNC(=O)N[C@H](CO)c1ccc(Br)cc1C(F)(F)F ZINC000418421367 563217002 /nfs/dbraw/zinc/21/70/02/563217002.db2.gz BZAMWKFXLQORES-LLVKDONJSA-N 1 0 398.223 2.538 20 0 GFADRO CC(C)C[C@@H](C[NH3+])NC(=O)NC(C)(C)COc1ncccc1Br ZINC000418425178 563217388 /nfs/dbraw/zinc/21/73/88/563217388.db2.gz IWFRXKNMNXOGNK-LBPRGKRZSA-N 1 0 387.322 2.674 20 0 GFADRO CCCC[C@H](C[NH3+])NC(=O)N(CCO)Cc1cc(Br)ccc1F ZINC000418468894 563217758 /nfs/dbraw/zinc/21/77/58/563217758.db2.gz PVNSTIVDHGDXKO-CQSZACIVSA-N 1 0 390.297 2.610 20 0 GFADRO CC[NH+]1CCC(NCc2cc(Br)ccc2O[C@H](C)C(=O)NC)CC1 ZINC000294823237 563218595 /nfs/dbraw/zinc/21/85/95/563218595.db2.gz ROCPVGGOHKVJIX-CYBMUJFWSA-N 1 0 398.345 2.536 20 0 GFADRO C[C@@H]1[C@@H](c2ccc(Br)cc2)OCCN1C(=O)NCC1([NH3+])CCC1 ZINC000418507228 563218604 /nfs/dbraw/zinc/21/86/04/563218604.db2.gz IFJZMPPPEWOHQC-DOMZBBRYSA-N 1 0 382.302 2.802 20 0 GFADRO C[C@H](CC[NH3+])NC(=O)N1CCC[C@@H]1c1ccccc1I ZINC000418522123 563219118 /nfs/dbraw/zinc/21/91/18/563219118.db2.gz JAYDOCZNNFVFCP-BXUZGUMPSA-N 1 0 387.265 2.875 20 0 GFADRO O=S(=O)(Cc1ccc(Br)cc1)NCC1CC[NH+](C2CC2)CC1 ZINC000277663006 563219600 /nfs/dbraw/zinc/21/96/00/563219600.db2.gz GLTYCDNXMBGGKQ-UHFFFAOYSA-N 1 0 387.343 2.743 20 0 GFADRO CC[C@H](c1ccc(Br)cc1)N1CCN(C(=O)NCCCC[NH3+])CC1 ZINC000418516511 563219632 /nfs/dbraw/zinc/21/96/32/563219632.db2.gz XKGZYCUXPAJMJC-QGZVFWFLSA-N 1 0 397.361 2.966 20 0 GFADRO COc1ccc(Br)c(CN(C)C(=O)NC[C@@]2(C)CCC[NH2+]C2)c1 ZINC000418533340 563219674 /nfs/dbraw/zinc/21/96/74/563219674.db2.gz DJVXMYOSUBFBNQ-KRWDZBQOSA-N 1 0 384.318 2.989 20 0 GFADRO O=C(NC[C@@H](O)c1ccc(Cl)cc1Cl)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000369658340 563220080 /nfs/dbraw/zinc/22/00/80/563220080.db2.gz WKTVJVZMIXCYRJ-MLGOLLRUSA-N 1 0 383.279 2.578 20 0 GFADRO COCCN(Cc1cc(Br)cs1)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000418598731 563220926 /nfs/dbraw/zinc/22/09/26/563220926.db2.gz YYEYCRXBVYLVDJ-QWHCGFSZSA-N 1 0 390.347 2.939 20 0 GFADRO CC1(C)CCC[NH2+][C@H]1CNC(=O)N[C@@H](CO)c1cccc(Br)c1 ZINC000418647562 563221370 /nfs/dbraw/zinc/22/13/70/563221370.db2.gz UIINJUBCSYCFBM-GJZGRUSLSA-N 1 0 384.318 2.560 20 0 GFADRO CC(C)N(Cc1cccs1)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000418613726 563221462 /nfs/dbraw/zinc/22/14/62/563221462.db2.gz JXPPGVQFNOZABB-AWEZNQCLSA-N 1 0 378.464 2.504 20 0 GFADRO CC1(C)CCC[NH2+][C@@H]1CNC(=O)N[C@@H](CO)c1ccc(Br)cc1 ZINC000418610997 563221494 /nfs/dbraw/zinc/22/14/94/563221494.db2.gz HCIGPOIKFUDDFZ-LSDHHAIUSA-N 1 0 384.318 2.560 20 0 GFADRO CN(CCOc1ccc(Br)cc1)C(=O)NCCC1=CC[NH2+]CC1 ZINC000418604304 563221541 /nfs/dbraw/zinc/22/15/41/563221541.db2.gz QZEOSQVBOMURLJ-UHFFFAOYSA-N 1 0 382.302 2.779 20 0 GFADRO COCC1(CNC(=O)N2CCc3cccc(Br)c3C2)CC[NH2+]CC1 ZINC000418629684 563221707 /nfs/dbraw/zinc/22/17/07/563221707.db2.gz DNKHLOBCNYDHEY-UHFFFAOYSA-N 1 0 396.329 2.533 20 0 GFADRO O=C(N[C@@H]1C[C@H]1C1CC[NH2+]CC1)N1CCc2cc(Br)ccc2C1 ZINC000418664068 563222002 /nfs/dbraw/zinc/22/20/02/563222002.db2.gz ZJURPGYSSFMCTI-DLBZAZTESA-N 1 0 378.314 2.905 20 0 GFADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+]Cc1ccc(O)cc1 ZINC000294940968 563222922 /nfs/dbraw/zinc/22/29/22/563222922.db2.gz DSVSVNVFTQAWSZ-GFCCVEGCSA-N 1 0 393.281 2.958 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[N@@H+]1CCC[C@@H](COC)C1 ZINC000294948523 563223087 /nfs/dbraw/zinc/22/30/87/563223087.db2.gz VKIKSIBNFCORKF-UONOGXRCSA-N 1 0 399.329 2.821 20 0 GFADRO CC[C@@H]([NH3+])CNC(=O)N1CCC(C(=O)Nc2cccc(Br)c2)CC1 ZINC000418739075 563223259 /nfs/dbraw/zinc/22/32/59/563223259.db2.gz YBFZRKXXIGGKPR-CQSZACIVSA-N 1 0 397.317 2.547 20 0 GFADRO Cc1c(Br)cccc1C(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000369727800 563223591 /nfs/dbraw/zinc/22/35/91/563223591.db2.gz REPWGAOUTAERQE-MRXNPFEDSA-N 1 0 394.357 2.998 20 0 GFADRO [NH3+][C@H]1CCC[C@@H](CNC(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)C1 ZINC000418718135 563223758 /nfs/dbraw/zinc/22/37/58/563223758.db2.gz JZIYWOJCJGWCLN-OCCSQVGLSA-N 1 0 386.327 2.738 20 0 GFADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+][C@H]1CCCSC1 ZINC000294958862 563223776 /nfs/dbraw/zinc/22/37/76/563223776.db2.gz CLNILTOKAGFTCS-RISCZKNCSA-N 1 0 387.343 2.948 20 0 GFADRO CSc1ccc([C@H](CNC(=O)c2cc(Br)nn2C)[NH+](C)C)cc1 ZINC000294974728 563223786 /nfs/dbraw/zinc/22/37/86/563223786.db2.gz TWUZVQIGMJINSH-AWEZNQCLSA-N 1 0 397.342 2.937 20 0 GFADRO C[C@@H]1CN(C(=O)c2cc(F)cc(Br)c2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000369765416 563224166 /nfs/dbraw/zinc/22/41/66/563224166.db2.gz FXNQMRWMXCYAQN-DYVFJYSZSA-N 1 0 398.320 2.686 20 0 GFADRO C[C@H]1Cc2ccc(Br)cc2CN1C(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000418756754 563224545 /nfs/dbraw/zinc/22/45/45/563224545.db2.gz IVOUEKDARIAQGB-IINYFYTJSA-N 1 0 388.256 2.903 20 0 GFADRO [NH3+]C[C@@H]1CC[C@H](NC(=O)N[C@@H](CO)c2ccc(Cl)cc2C(F)(F)F)C1 ZINC000418794046 563226065 /nfs/dbraw/zinc/22/60/65/563226065.db2.gz QRKDPUIMBLQQLG-PUYPPJJSSA-N 1 0 379.810 2.819 20 0 GFADRO C[C@@H](NC(=O)C(=O)N1CCC[C@H](CC[NH3+])C1)c1cc(F)c(Cl)cc1Cl ZINC000418828698 563226649 /nfs/dbraw/zinc/22/66/49/563226649.db2.gz DBQGMYSINYEIQB-GHMZBOCLSA-N 1 0 390.286 2.897 20 0 GFADRO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)C(=O)N[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000418823455 563226722 /nfs/dbraw/zinc/22/67/22/563226722.db2.gz YDHJNUJVBRPTAW-UHDJJACNSA-N 1 0 384.307 2.599 20 0 GFADRO C[N@H+](CC1=Cc2cc(Br)ccc2OC1)[C@H]1CCN2CCO[C@H]1C2 ZINC000295056337 563227695 /nfs/dbraw/zinc/22/76/95/563227695.db2.gz GDBGVRQNLSJXOE-WMZOPIPTSA-N 1 0 379.298 2.630 20 0 GFADRO C[C@H](NC(=O)C(=O)N[C@@H]1CCCC[NH2+]C1)c1cc(F)c(Cl)cc1Cl ZINC000418856674 563227876 /nfs/dbraw/zinc/22/78/76/563227876.db2.gz XEJYJIHAEBKGBF-VHSXEESVSA-N 1 0 376.259 2.568 20 0 GFADRO C[C@@H](NC(=O)C(=O)N[C@H](C[NH3+])C1CCCCC1)c1ccc(Br)cc1 ZINC000418854580 563228156 /nfs/dbraw/zinc/22/81/56/563228156.db2.gz BUTNDPYYFVWRMT-MLGOLLRUSA-N 1 0 396.329 2.650 20 0 GFADRO C[C@H](NC(=O)C(=O)N1C[C@@H](C[NH3+])C[C@@H]1C)c1cc(F)c(Cl)cc1Cl ZINC000418856523 563228294 /nfs/dbraw/zinc/22/82/94/563228294.db2.gz XARJKGYGGVACPG-LPEHRKFASA-N 1 0 376.259 2.505 20 0 GFADRO O=C(N[C@H]1CCC[NH2+]CC1)[C@@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 ZINC000369947069 563228787 /nfs/dbraw/zinc/22/87/87/563228787.db2.gz VOHPTVMCXDEHSA-HOTGVXAUSA-N 1 0 384.307 2.856 20 0 GFADRO C[C@@H](NC(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1cc(Cl)ccc1Cl ZINC000418951145 563231959 /nfs/dbraw/zinc/23/19/59/563231959.db2.gz HXRDQJJNKQPQEI-OWTLIXCDSA-N 1 0 384.307 2.675 20 0 GFADRO O=C(NCC[C@H]1CCC[NH2+]C1)C(=O)N[C@H]1CCc2c1ccc(Cl)c2Cl ZINC000419093360 563233002 /nfs/dbraw/zinc/23/30/02/563233002.db2.gz IWXXLICSKVBGHP-ABAIWWIYSA-N 1 0 384.307 2.603 20 0 GFADRO C[NH+](C)CCn1nccc1NS(=O)(=O)Cc1c(Cl)cccc1Cl ZINC000295178302 563233395 /nfs/dbraw/zinc/23/33/95/563233395.db2.gz IBYDGYJRCUQICM-UHFFFAOYSA-N 1 0 377.297 2.693 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]CCc1nccs1 ZINC000295175505 563233446 /nfs/dbraw/zinc/23/34/46/563233446.db2.gz MAKCBJQQCOLWJH-NSHDSACASA-N 1 0 398.326 2.751 20 0 GFADRO CN(C(=O)C(=O)N[C@H]1CCc2c1ccc(Cl)c2Cl)[C@H]1CCC[NH2+]CC1 ZINC000419111027 563233806 /nfs/dbraw/zinc/23/38/06/563233806.db2.gz ZQNIVPLKELGRQG-NHYWBVRUSA-N 1 0 384.307 2.697 20 0 GFADRO CN1CCC([N@@H+]2CC[C@@H](NC(=O)CCc3ccc(Br)cc3)C2)CC1 ZINC000370114309 563233874 /nfs/dbraw/zinc/23/38/74/563233874.db2.gz URRSQRGUVKLGNQ-QGZVFWFLSA-N 1 0 394.357 2.666 20 0 GFADRO CC[NH2+][C@H](C)CNC(=O)C(=O)NCC1(c2ccc(Cl)cc2Cl)CCC1 ZINC000419130693 563234521 /nfs/dbraw/zinc/23/45/21/563234521.db2.gz BOXKVZBQDFXLTG-GFCCVEGCSA-N 1 0 386.323 2.646 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)c2c(Br)cnn2C)CC[N@@H+]1Cc1ccccc1 ZINC000295198890 563234745 /nfs/dbraw/zinc/23/47/45/563234745.db2.gz VVMZYPAOAKKVNX-HIFRSBDPSA-N 1 0 391.313 2.966 20 0 GFADRO CC[NH2+][C@H](C)CNC(=O)C(=O)N[C@H](c1ccsc1)c1ccc(Cl)cc1 ZINC000419128804 563234854 /nfs/dbraw/zinc/23/48/54/563234854.db2.gz XCRMWDUGPCIFME-WBMJQRKESA-N 1 0 379.913 2.721 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000370177202 563235831 /nfs/dbraw/zinc/23/58/31/563235831.db2.gz ZETLRSKRCVWJOO-DYVFJYSZSA-N 1 0 389.297 2.767 20 0 GFADRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N[C@H](C)Cc1ccc(Cl)cc1Cl ZINC000419279063 563235999 /nfs/dbraw/zinc/23/59/99/563235999.db2.gz IMYAELITUXDYTN-WBMJQRKESA-N 1 0 388.339 2.872 20 0 GFADRO COc1cc(Br)c(C(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cc1OC ZINC000295216949 563236325 /nfs/dbraw/zinc/23/63/25/563236325.db2.gz XSVNTZKQFPAQFV-GHMZBOCLSA-N 1 0 383.286 2.821 20 0 GFADRO COc1ccc(CNCCC[N@@H+]2CCCO[C@@H](C)C2)c(Br)c1O ZINC000278046434 563238107 /nfs/dbraw/zinc/23/81/07/563238107.db2.gz XUSXYESGYGUHAD-ZDUSSCGKSA-N 1 0 387.318 2.754 20 0 GFADRO C[C@@H](CNS(=O)(=O)C[C@H]1CCCC1(F)F)N1CCc2sccc2C1 ZINC000295259937 563239333 /nfs/dbraw/zinc/23/93/33/563239333.db2.gz XZJQZKNJAUVPOX-GXTWGEPZSA-N 1 0 378.510 2.850 20 0 GFADRO C[C@H]1[C@@H](C)[N@@H+](CC(=O)Nc2ccc(Cl)c(S(=O)(=O)N(C)C)c2)C[C@H]1C ZINC000419378985 563239523 /nfs/dbraw/zinc/23/95/23/563239523.db2.gz VXTGWRISDUFREP-JHJVBQTASA-N 1 0 387.933 2.505 20 0 GFADRO C[C@H]([NH3+])C1CCN(C(=O)C(=O)NC[C@@H](C)c2c(Cl)cccc2Cl)CC1 ZINC000419521729 563241194 /nfs/dbraw/zinc/24/11/94/563241194.db2.gz SCNYWMXDXPEKBO-NEPJUHHUSA-N 1 0 386.323 2.799 20 0 GFADRO C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)N1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000370408219 563242652 /nfs/dbraw/zinc/24/26/52/563242652.db2.gz YRSZXPPIFZORCO-BRWVUGGUSA-N 1 0 379.595 2.923 20 0 GFADRO C[C@@H](Sc1nc2ccccc2s1)C(=O)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000295361702 563243768 /nfs/dbraw/zinc/24/37/68/563243768.db2.gz FSROLFWATZTGKO-ZIAGYGMSSA-N 1 0 379.551 2.740 20 0 GFADRO Cc1[nH]c(=O)c(Br)cc1C(=O)N1CC(C)(C)[C@H]1c1nccn1C ZINC000295378642 563244509 /nfs/dbraw/zinc/24/45/09/563244509.db2.gz DPNPVFDXGXANSC-GFCCVEGCSA-N 1 0 379.258 2.815 20 0 GFADRO CC[C@H](CC(F)(F)F)[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000419679521 563245453 /nfs/dbraw/zinc/24/54/53/563245453.db2.gz GBCCETHSSOJDLO-SECBINFHSA-N 1 0 389.237 2.917 20 0 GFADRO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)C(=O)NCC(C)(C)c1c(Cl)cccc1Cl ZINC000419697742 563246872 /nfs/dbraw/zinc/24/68/72/563246872.db2.gz RMBQEIBKWBLRLR-RISCZKNCSA-N 1 0 386.323 2.644 20 0 GFADRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)NCC(C)(C)c1c(Cl)cccc1Cl ZINC000419698797 563246874 /nfs/dbraw/zinc/24/68/74/563246874.db2.gz UGVAWGSBUNBIPZ-SMDDNHRTSA-N 1 0 386.323 2.501 20 0 GFADRO C[C@H]([NH2+]C[C@H]1CCC[C@@]12NC(=O)N(C)C2=O)c1cccc(Br)c1 ZINC000370573806 563248805 /nfs/dbraw/zinc/24/88/05/563248805.db2.gz LLMUVARXKATPJD-XTQGRXLLSA-N 1 0 380.286 2.820 20 0 GFADRO C[C@H]([NH2+]Cc1ccc(S(N)(=O)=O)c(Cl)c1)[C@H]1OCCc2sccc21 ZINC000419741324 563249136 /nfs/dbraw/zinc/24/91/36/563249136.db2.gz CEEYUSZDFABQOE-MGPLVRAMSA-N 1 0 386.926 2.841 20 0 GFADRO CC[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000419756889 563249520 /nfs/dbraw/zinc/24/95/20/563249520.db2.gz SXBVNQPBXNCGEN-HUUCEWRRSA-N 1 0 386.323 2.689 20 0 GFADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+]CCCCCCO ZINC000295508755 563251258 /nfs/dbraw/zinc/25/12/58/563251258.db2.gz UQETYOOLOFDFLL-CYBMUJFWSA-N 1 0 387.318 2.605 20 0 GFADRO C[NH+](C)C1(CNC(=O)C(=O)Nc2ccc(-c3ccc(Cl)s3)nc2)CC1 ZINC000419833711 563251830 /nfs/dbraw/zinc/25/18/30/563251830.db2.gz ZJXHZOQUDGUJKF-UHFFFAOYSA-N 1 0 378.885 2.612 20 0 GFADRO CCC[C@H](O)[C@H](CO)[NH2+]Cc1c(C)nn(-c2ccc(Br)cc2)c1C ZINC000419832202 563252000 /nfs/dbraw/zinc/25/20/00/563252000.db2.gz VJTMSYXJLCWIEL-ROUUACIJSA-N 1 0 396.329 2.863 20 0 GFADRO CC(C)N(Cc1ccc(Br)cc1)C(=O)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000419902102 563252422 /nfs/dbraw/zinc/25/24/22/563252422.db2.gz VJQAJKUKTCHISZ-CVEARBPZSA-N 1 0 396.329 2.572 20 0 GFADRO O=C(CCc1cccc(Br)c1)NC[C@H]1CCC[C@H]1[NH+]1CCOCC1 ZINC000370755959 563254095 /nfs/dbraw/zinc/25/40/95/563254095.db2.gz CNZVUKLEPDNWFG-SJLPKXTDSA-N 1 0 395.341 2.999 20 0 GFADRO O=C(NC[C@H]1CCC[C@@H]1[NH+]1CCOCC1)c1ccc(F)cc1Br ZINC000370760555 563254755 /nfs/dbraw/zinc/25/47/55/563254755.db2.gz RUMJHSVVQQPSMU-WBMJQRKESA-N 1 0 385.277 2.819 20 0 GFADRO CC[C@H](NC(=O)[C@H]1CC[NH2+]C1)c1noc(-c2cccc(Br)c2)n1 ZINC000370773550 563254983 /nfs/dbraw/zinc/25/49/83/563254983.db2.gz OQHJOWBZMSFJBY-AAEUAGOBSA-N 1 0 379.258 2.676 20 0 GFADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+]Cc1ccn(C)c1 ZINC000295608709 563255604 /nfs/dbraw/zinc/25/56/04/563255604.db2.gz GFFBBQAWWWMYQI-GFCCVEGCSA-N 1 0 380.286 2.591 20 0 GFADRO C[C@@H]1CCCN(C(=O)C2CCN(C(=O)c3ccc(Cl)s3)CC2)[C@@H]1C[NH3+] ZINC000370793514 563255659 /nfs/dbraw/zinc/25/56/59/563255659.db2.gz MLUYIBGCWQCULE-TZMCWYRMSA-N 1 0 383.945 2.840 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]Cc1ccn(C)c1 ZINC000295608711 563255955 /nfs/dbraw/zinc/25/59/55/563255955.db2.gz GFFBBQAWWWMYQI-LBPRGKRZSA-N 1 0 380.286 2.591 20 0 GFADRO C[C@H](CC(=O)NC[C@](C)(O)CC[NH+](C)C)c1ccc(F)c(Br)c1 ZINC000419998074 563256039 /nfs/dbraw/zinc/25/60/39/563256039.db2.gz MMSMZJUOYWZFJU-SJKOYZFVSA-N 1 0 389.309 2.901 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2C(=O)c1ccc(Br)cc1F ZINC000370823897 563256221 /nfs/dbraw/zinc/25/62/21/563256221.db2.gz MLFZNUCWJFNKMT-KCXAZCMYSA-N 1 0 385.277 2.912 20 0 GFADRO NC(=O)C1(N2CCN(CCOc3ccc(Cl)cc3Cl)CC2)CCCC1 ZINC000370873507 563258030 /nfs/dbraw/zinc/25/80/30/563258030.db2.gz VDPGZDKKGQMJCE-UHFFFAOYSA-N 1 0 386.323 2.788 20 0 GFADRO Cn1nccc1N1CCC[C@@H]([NH2+]Cc2cnc3ccc(Br)cn23)C1 ZINC000278471406 563258052 /nfs/dbraw/zinc/25/80/52/563258052.db2.gz HGMCFUQRQJWZJV-CQSZACIVSA-N 1 0 389.301 2.589 20 0 GFADRO CC(C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000420135379 563258670 /nfs/dbraw/zinc/25/86/70/563258670.db2.gz VEIOZHVHOVAWSJ-WBMJQRKESA-N 1 0 386.323 2.845 20 0 GFADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)Cc1ccccc1Br ZINC000278489930 563258899 /nfs/dbraw/zinc/25/88/99/563258899.db2.gz LVUOPVATBYAURP-CQSZACIVSA-N 1 0 381.314 2.703 20 0 GFADRO CCCC[C@@H](C[NH3+])NC(=O)C(=O)N(C)[C@H](C)c1ccccc1Br ZINC000420119223 563259031 /nfs/dbraw/zinc/25/90/31/563259031.db2.gz NHDLBMBNIMNHEJ-OLZOCXBDSA-N 1 0 384.318 2.602 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)C(=O)N(Cc2ccc(Cl)c(Cl)c2)C2CC2)CC[NH2+]1 ZINC000420128881 563259049 /nfs/dbraw/zinc/25/90/49/563259049.db2.gz QEFCDYSPSNTKFZ-DGCLKSJQSA-N 1 0 384.307 2.741 20 0 GFADRO Cn1cc([C@H]2[C@@H](CNC(=O)c3ccc(Cl)nc3Cl)CCC[N@@H+]2C)cn1 ZINC000370911659 563259590 /nfs/dbraw/zinc/25/95/90/563259590.db2.gz NZHPIJRZYQHWQK-IAQYHMDHSA-N 1 0 382.295 2.935 20 0 GFADRO [NH3+][C@H]1CCC[C@H](CNc2ncnc3ccc(I)cc32)C1 ZINC000420290610 563262092 /nfs/dbraw/zinc/26/20/92/563262092.db2.gz UQXRWLGBMOVNRS-JQWIXIFHSA-N 1 0 382.249 3.164 20 0 GFADRO CC(=O)OCCCSCC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000278578105 563262439 /nfs/dbraw/zinc/26/24/39/563262439.db2.gz FMFWUBBTVJJEGE-UHFFFAOYSA-N 1 0 382.551 2.860 20 0 GFADRO Cn1ncc(Br)c1C[NH2+]CCCC(=O)N1CCc2ccccc21 ZINC000278577039 563262474 /nfs/dbraw/zinc/26/24/74/563262474.db2.gz YAUUVDXJUVAHJJ-UHFFFAOYSA-N 1 0 377.286 2.642 20 0 GFADRO Cc1c(Br)cccc1C[NH+]1CCC(c2nnc3n2CCNC3)CC1 ZINC000420356077 563263215 /nfs/dbraw/zinc/26/32/15/563263215.db2.gz QHYJSZRKKPQAQM-UHFFFAOYSA-N 1 0 390.329 2.832 20 0 GFADRO COC(=O)c1ccc(C[N@@H+]2CC[C@@H](C(=O)NCC(F)(F)F)C2)cc1Cl ZINC000295802802 563263306 /nfs/dbraw/zinc/26/33/06/563263306.db2.gz SOMATXXIZXEELN-LLVKDONJSA-N 1 0 378.778 2.627 20 0 GFADRO O=S(=O)(c1ccc(C(F)(F)F)c(F)c1)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420457125 563263646 /nfs/dbraw/zinc/26/36/46/563263646.db2.gz HINDVXXKZNKEFZ-XHDPSFHLSA-N 1 0 380.407 2.997 20 0 GFADRO O=S(=O)(c1ccc(F)cc1Br)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420451587 563263854 /nfs/dbraw/zinc/26/38/54/563263854.db2.gz BMGLEJYROYUJMN-BXUZGUMPSA-N 1 0 391.306 2.741 20 0 GFADRO Cc1c(Br)cccc1S(=O)(=O)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420464400 563264375 /nfs/dbraw/zinc/26/43/75/563264375.db2.gz OZOJPTAHMCTFPU-UKRRQHHQSA-N 1 0 387.343 2.910 20 0 GFADRO O=S(=O)(Cc1cccc(C(F)(F)F)c1)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420465406 563264494 /nfs/dbraw/zinc/26/44/94/563264494.db2.gz QCBUOADBTMQRLX-GOEBONIOSA-N 1 0 376.444 2.999 20 0 GFADRO C[C@@H]1CCN(S(=O)(=O)c2ccc(Cl)cc2Br)C[C@H]1C[NH3+] ZINC000420474043 563265211 /nfs/dbraw/zinc/26/52/11/563265211.db2.gz DYAXTLRSCHWFFL-NXEZZACHSA-N 1 0 381.723 2.708 20 0 GFADRO COCCOC1(C[NH2+][C@H](C)c2ncc(Br)cc2F)CCOCC1 ZINC000295851967 563265402 /nfs/dbraw/zinc/26/54/02/563265402.db2.gz BBSUCTWZXOKLHH-GFCCVEGCSA-N 1 0 391.281 2.846 20 0 GFADRO CN(CC1CC[NH+](C)CC1)c1ncc(Cn2cc(Br)cn2)s1 ZINC000278658216 563265589 /nfs/dbraw/zinc/26/55/89/563265589.db2.gz AYCJWUWLFASFGM-UHFFFAOYSA-N 1 0 384.347 2.928 20 0 GFADRO C[C@H]1CCN(S(=O)(=O)c2cc(Cl)c(Br)cc2F)C[C@@H]1C[NH3+] ZINC000420485258 563265919 /nfs/dbraw/zinc/26/59/19/563265919.db2.gz ZKRNQNLNGWJARK-IUCAKERBSA-N 1 0 399.713 2.847 20 0 GFADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C[C@H](O)c1cccc(Br)c1 ZINC000278683103 563266206 /nfs/dbraw/zinc/26/62/06/563266206.db2.gz OXSBLIUVLCGREX-KDOFPFPSSA-N 1 0 383.330 2.668 20 0 GFADRO CCOC(=O)[C@@H](F)C1C[NH+](CCC(=O)Nc2cccc(Br)c2)C1 ZINC000295891725 563267064 /nfs/dbraw/zinc/26/70/64/563267064.db2.gz GHGJEFHDOAECHA-HNNXBMFYSA-N 1 0 387.249 2.611 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2cc(F)ccc2OC(F)F)[C@H](C)C1 ZINC000420667033 563271628 /nfs/dbraw/zinc/27/16/28/563271628.db2.gz CUFRHVYOIDWMKW-DGCLKSJQSA-N 1 0 380.432 2.778 20 0 GFADRO O[C@@H]1CCC[C@@H]1[NH+]1CCN(CC2=Cc3cc(Br)ccc3OC2)CC1 ZINC000371325968 563272388 /nfs/dbraw/zinc/27/23/88/563272388.db2.gz HGCYOWZJRUTHAM-ZWKOTPCHSA-N 1 0 393.325 2.756 20 0 GFADRO Brc1cnn(Cc2cnc(N3CC[C@@H]([NH+]4CC=CC4)C3)s2)c1 ZINC000278856961 563273521 /nfs/dbraw/zinc/27/35/21/563273521.db2.gz XVOPGBGLQVTECS-CYBMUJFWSA-N 1 0 380.315 2.601 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)C(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000296091999 563274698 /nfs/dbraw/zinc/27/46/98/563274698.db2.gz FWRKCNWBRQZPJZ-UHFFFAOYSA-N 1 0 394.313 2.829 20 0 GFADRO Cc1cc(F)c(Br)cc1NC(=O)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000296108774 563275270 /nfs/dbraw/zinc/27/52/70/563275270.db2.gz HHECTCJASQXLOP-YOGCLGLASA-N 1 0 398.276 2.577 20 0 GFADRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)c3nc(C4CC4)ncc3Br)C2)C1 ZINC000296108639 563275283 /nfs/dbraw/zinc/27/52/83/563275283.db2.gz BFJFUHQMTCNFPP-QGZVFWFLSA-N 1 0 379.302 2.674 20 0 GFADRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1S(=O)(=O)c1cc(F)ccc1OC(F)F ZINC000420704068 563276744 /nfs/dbraw/zinc/27/67/44/563276744.db2.gz HOTQOCSOEGLVED-WCQYABFASA-N 1 0 378.416 2.674 20 0 GFADRO Cc1cn2c(n1)CC[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1Br)C2 ZINC000371491681 563279114 /nfs/dbraw/zinc/27/91/14/563279114.db2.gz UPSDBVKSSPDAFM-QWHCGFSZSA-N 1 0 377.286 2.886 20 0 GFADRO O=C(Nc1cc(F)ccc1Br)C(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000296336819 563283616 /nfs/dbraw/zinc/28/36/16/563283616.db2.gz YLUCZEHJCLVISC-UHFFFAOYSA-N 1 0 398.276 2.660 20 0 GFADRO Cc1ccc(F)c(C(=O)N(C)CCCN2CC[NH+](C)CC2)c1Br ZINC000279126468 563285250 /nfs/dbraw/zinc/28/52/50/563285250.db2.gz XPMHQKHATLSLAC-UHFFFAOYSA-N 1 0 386.309 2.606 20 0 GFADRO CC[C@@H]([NH2+]C[C@]1(O)CCS(=O)(=O)C1)c1ccc(Br)cc1Cl ZINC000296448748 563287793 /nfs/dbraw/zinc/28/77/93/563287793.db2.gz MQMHBYRHZBCZFR-ZIAGYGMSSA-N 1 0 396.734 2.693 20 0 GFADRO Cc1cc(Br)ccc1C(=O)N1CCC([NH2+]CCn2ccnc2)CC1 ZINC000371840142 563288603 /nfs/dbraw/zinc/28/86/03/563288603.db2.gz DTSDPAIBJFYSCG-UHFFFAOYSA-N 1 0 391.313 2.848 20 0 GFADRO Cc1ncsc1CCS(=O)(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000296503135 563289975 /nfs/dbraw/zinc/28/99/75/563289975.db2.gz ZKEUJBQQQDYZHU-KRWDZBQOSA-N 1 0 379.551 2.530 20 0 GFADRO O=C(Nc1ccc(Br)cc1)[C@@H]1CCC[N@@H+]1CC[C@@H]1CCOC1=O ZINC000371892054 563290241 /nfs/dbraw/zinc/29/02/41/563290241.db2.gz QQKVASCOQWKCTE-DOMZBBRYSA-N 1 0 381.270 2.805 20 0 GFADRO C[NH+](C)C1CCC(NC(=O)N[C@H](CO)c2ccc(Br)cc2)CC1 ZINC000420891410 563290250 /nfs/dbraw/zinc/29/02/50/563290250.db2.gz MRSOGFUSHHXWAC-UYSNPLJNSA-N 1 0 384.318 2.655 20 0 GFADRO Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)[NH2+]C[C@]1(O)CCS(=O)(=O)C1 ZINC000296558709 563291764 /nfs/dbraw/zinc/29/17/64/563291764.db2.gz SCDJIHLUPNNYHC-FZKQIMNGSA-N 1 0 380.535 2.627 20 0 GFADRO COc1cc(CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc(Br)c1OC ZINC000279334630 563293125 /nfs/dbraw/zinc/29/31/25/563293125.db2.gz CZKVBTMWFBWBRC-AAEUAGOBSA-N 1 0 385.302 2.813 20 0 GFADRO C[N@@H+]1CC[C@H](CNC(=O)Nc2ccc(F)cc2I)C1 ZINC000296647821 563295771 /nfs/dbraw/zinc/29/57/71/563295771.db2.gz OWSPRVLXNCDAEW-SECBINFHSA-N 1 0 377.201 2.504 20 0 GFADRO COC(=O)c1cccc(NC(=O)N(C)C[C@H]2CCC[N@@H+]2C)c1Br ZINC000421117788 563296753 /nfs/dbraw/zinc/29/67/53/563296753.db2.gz YQHNJCFHSBKXMT-LLVKDONJSA-N 1 0 384.274 2.794 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2C(=O)c1ccc(F)cc1Br ZINC000372164968 563297580 /nfs/dbraw/zinc/29/75/80/563297580.db2.gz OHRZJUJDDDULDA-UHOFOFEASA-N 1 0 385.277 2.912 20 0 GFADRO [NH3+][C@H]1CN(S(=O)(=O)c2cnc3ccsc3c2)C[C@H]1c1ccc(F)cc1 ZINC000372179516 563297840 /nfs/dbraw/zinc/29/78/40/563297840.db2.gz NYUPNAFVDPCNBQ-GJZGRUSLSA-N 1 0 377.466 2.551 20 0 GFADRO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]C[C@@H](O)c2cc(F)cc(Cl)c2)cc1 ZINC000279494315 563298329 /nfs/dbraw/zinc/29/83/29/563298329.db2.gz MABSBIFAKSACPD-PIGZYNQJSA-N 1 0 386.876 2.771 20 0 GFADRO COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)NC1CCC([NH+](C)C)CC1 ZINC000421291293 563305735 /nfs/dbraw/zinc/30/57/35/563305735.db2.gz WYDWAPUFECAVDU-UHFFFAOYSA-N 1 0 388.295 2.930 20 0 GFADRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)Nc1cc(Cl)cc(C(F)(F)F)c1 ZINC000421295402 563305965 /nfs/dbraw/zinc/30/59/65/563305965.db2.gz IKZUXPBNMYRREG-CYBMUJFWSA-N 1 0 377.794 2.850 20 0 GFADRO O=C(NCC1(c2cccc(Br)c2)CCOCC1)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000372429998 563306234 /nfs/dbraw/zinc/30/62/34/563306234.db2.gz CRMYXZUBPIOEOE-QFBILLFUSA-N 1 0 393.325 2.613 20 0 GFADRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000421308958 563306594 /nfs/dbraw/zinc/30/65/94/563306594.db2.gz ZFKXOPSCKPKSKL-NSHDSACASA-N 1 0 377.794 2.850 20 0 GFADRO Cc1nc2ccc(Br)cn2c1C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000279725157 563308252 /nfs/dbraw/zinc/30/82/52/563308252.db2.gz BQQSOOMJMZAKPS-CYBMUJFWSA-N 1 0 379.302 2.819 20 0 GFADRO C[C@H](Cn1cc(Br)cn1)[NH2+]C[C@H]1CC[C@@H](c2nc(C3CC3)no2)O1 ZINC000372533736 563309159 /nfs/dbraw/zinc/30/91/59/563309159.db2.gz UBVLVNKDCRSQCT-HONMWMINSA-N 1 0 396.289 2.804 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2S(=O)(=O)/C=C/c1cccc(Cl)c1 ZINC000372510209 563309465 /nfs/dbraw/zinc/30/94/65/563309465.db2.gz AJUQVJKJMWDKJW-PLTVNCBKSA-N 1 0 384.929 2.824 20 0 GFADRO CC(C)(O)C[N@@H+]1CCCN(C[C@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000372555725 563309945 /nfs/dbraw/zinc/30/99/45/563309945.db2.gz UAGAANCPXWMIFA-HNNXBMFYSA-N 1 0 391.339 2.512 20 0 GFADRO [NH3+]CCc1nc(C(=O)N[C@H]2CCOc3ccc(Br)cc32)cs1 ZINC000279876828 563313972 /nfs/dbraw/zinc/31/39/72/563313972.db2.gz FHVCFFHMRPUKIW-NSHDSACASA-N 1 0 382.283 2.660 20 0 GFADRO O=C(Cc1csc(-c2cc(Br)cs2)n1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000279913549 563314515 /nfs/dbraw/zinc/31/45/15/563314515.db2.gz DOPQRCCQZAZKSB-AOOOYVTPSA-N 1 0 398.351 2.854 20 0 GFADRO CC[C@H](C)NC(=O)CC[NH2+][C@@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000279956968 563316313 /nfs/dbraw/zinc/31/63/13/563316313.db2.gz CBACITQABHGQQE-UWVGGRQHSA-N 1 0 396.340 2.596 20 0 GFADRO COCC1(C(=O)Nc2ccc3cccc(Br)c3n2)CC[NH2+]CC1 ZINC000279962205 563317121 /nfs/dbraw/zinc/31/71/21/563317121.db2.gz VTMSYVGIUCXNAN-UHFFFAOYSA-N 1 0 378.270 2.952 20 0 GFADRO CCOC(=O)Cc1cnc(NC(=O)NC[C@@H](c2cccs2)[NH+](C)C)s1 ZINC000297153484 563317446 /nfs/dbraw/zinc/31/74/46/563317446.db2.gz KDPMGLZXAIFJBC-LBPRGKRZSA-N 1 0 382.511 2.735 20 0 GFADRO C[C@@H]1CN(C(=O)Nc2ccnn2-c2ccc(Br)cn2)C[C@H](C)[N@H+]1C ZINC000297173919 563318728 /nfs/dbraw/zinc/31/87/28/563318728.db2.gz RBYSDXSNJNTZPB-TXEJJXNPSA-N 1 0 393.289 2.586 20 0 GFADRO [NH3+][C@H]1CN(C(=O)c2ccc(Br)cn2)CC[C@H]1c1ccc(F)cc1 ZINC000297202330 563319377 /nfs/dbraw/zinc/31/93/77/563319377.db2.gz MUENUEFLRIHLAV-GJZGRUSLSA-N 1 0 378.245 2.940 20 0 GFADRO C[C@H](Cn1ccnc1)[NH2+][C@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000280038526 563319867 /nfs/dbraw/zinc/31/98/67/563319867.db2.gz IRPCJMUBFJLVSN-NXEZZACHSA-N 1 0 377.297 2.577 20 0 GFADRO CC[C@H](COCC(F)(F)F)[NH2+][C@@H]1CCCc2ccc(S(N)(=O)=O)cc21 ZINC000297232786 563320780 /nfs/dbraw/zinc/32/07/80/563320780.db2.gz IADUTJYEDNAVNR-IUODEOHRSA-N 1 0 380.432 2.659 20 0 GFADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2nc3cc(Br)ccn3n2)C1 ZINC000297279543 563322215 /nfs/dbraw/zinc/32/22/15/563322215.db2.gz FQUCPLUGRVUEMG-LBPRGKRZSA-N 1 0 395.305 2.687 20 0 GFADRO [NH3+]CC1CCN(C(=O)CCc2nc(-c3cc(Br)cs3)no2)CC1 ZINC000297289402 563322989 /nfs/dbraw/zinc/32/29/89/563322989.db2.gz URLRKKACZOWKOT-UHFFFAOYSA-N 1 0 399.314 2.691 20 0 GFADRO O=C(Nc1nc2cc(Br)ccn2n1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000297299647 563323095 /nfs/dbraw/zinc/32/30/95/563323095.db2.gz IOIIGXVCYGQHST-ZDUSSCGKSA-N 1 0 393.289 2.584 20 0 GFADRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)[C@H]1CCN(c2cc(Cl)ccc2Cl)C1=O ZINC000422018689 563328469 /nfs/dbraw/zinc/32/84/69/563328469.db2.gz JIMGPEPGDZDOEV-ZIAGYGMSSA-N 1 0 384.307 2.899 20 0 GFADRO CCc1ccc(CNC(=O)C(=O)N(CC[NH+](C)C)Cc2ccsc2)s1 ZINC000422104735 563331227 /nfs/dbraw/zinc/33/12/27/563331227.db2.gz TVADMBXGHUFOOV-UHFFFAOYSA-N 1 0 379.551 2.579 20 0 GFADRO C[NH+]1CCC(n2ccc(NC(=O)c3cc(F)cc(Br)c3)n2)CC1 ZINC000373230452 563332832 /nfs/dbraw/zinc/33/28/32/563332832.db2.gz QOALZPZOLWXCNQ-UHFFFAOYSA-N 1 0 381.249 3.304 20 0 GFADRO C[NH+](C)[C@@]1(CNC(=O)N2CCc3c2cccc3Br)CCSC1 ZINC000422190899 563333327 /nfs/dbraw/zinc/33/33/27/563333327.db2.gz UJENMJSUQIRWFZ-MRXNPFEDSA-N 1 0 384.343 2.959 20 0 GFADRO CCOc1cc(C[NH2+]C(C)(C)CCS(C)(=O)=O)cc(Br)c1O ZINC000297752268 563334928 /nfs/dbraw/zinc/33/49/28/563334928.db2.gz UJQDAELGQAUQEB-UHFFFAOYSA-N 1 0 394.331 2.856 20 0 GFADRO C[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000422283833 563336399 /nfs/dbraw/zinc/33/63/99/563336399.db2.gz NYPKIQHXONUHPC-DOMZBBRYSA-N 1 0 386.323 2.593 20 0 GFADRO CC[C@H](C)[C@H](NC(=O)C(=O)NC[C@@H](c1cccs1)[NH+](C)C)C(F)(F)F ZINC000297817806 563337130 /nfs/dbraw/zinc/33/71/30/563337130.db2.gz IXHBTKFIESIHHY-GVXVVHGQSA-N 1 0 379.448 2.560 20 0 GFADRO Fc1cnccc1-c1nnc(C[NH2+]C2CCN(CC(F)(F)F)CC2)s1 ZINC000373477109 563339634 /nfs/dbraw/zinc/33/96/34/563339634.db2.gz YNRIUCREDRWRJA-UHFFFAOYSA-N 1 0 375.395 2.856 20 0 GFADRO C[C@@H]1C[C@@H](C)N(S(=O)(=O)Cc2ccc(Br)cc2)C[C@@H]1C[NH3+] ZINC000422556116 563342610 /nfs/dbraw/zinc/34/26/10/563342610.db2.gz SCMPOQVRWMNOAN-BZPMIXESSA-N 1 0 375.332 2.584 20 0 GFADRO C[N@@H+](CC(=O)N1CCc2sccc2[C@H]1c1cccs1)CC1CC(O)C1 ZINC000373674424 563346357 /nfs/dbraw/zinc/34/63/57/563346357.db2.gz PUDXFTCIHUBHED-MHVYXZCWSA-N 1 0 376.547 2.986 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000373724535 563348237 /nfs/dbraw/zinc/34/82/37/563348237.db2.gz BUKKNYILXPSGOL-UHFFFAOYSA-N 1 0 394.313 2.829 20 0 GFADRO C[C@@H](CNC(=O)C(=O)Nc1cc(Cl)c(N)c(Cl)c1)[NH+]1CCC(C)CC1 ZINC000298239560 563348198 /nfs/dbraw/zinc/34/81/98/563348198.db2.gz SAVFFCJGTWTYDH-NSHDSACASA-N 1 0 387.311 2.751 20 0 GFADRO C[C@@H](CNC(=O)Nc1cc(Br)cc(C(=O)N2CCCC2)c1)[NH+](C)C ZINC000280657720 563348273 /nfs/dbraw/zinc/34/82/73/563348273.db2.gz OHGXREOEYLFKBH-LBPRGKRZSA-N 1 0 397.317 2.757 20 0 GFADRO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NC[C@@H](O)COc1ccccc1Br ZINC000422947562 563351603 /nfs/dbraw/zinc/35/16/03/563351603.db2.gz YKVKZMSHXRZLSK-YXJHDRRASA-N 1 0 393.325 2.737 20 0 GFADRO CN(C)c1ccc(S(=O)(=O)NC2CC[NH+](Cc3cccs3)CC2)cc1 ZINC000373802565 563351935 /nfs/dbraw/zinc/35/19/35/563351935.db2.gz ZPZLMSQGHFDNIO-UHFFFAOYSA-N 1 0 379.551 2.757 20 0 GFADRO CN(Cc1cc(Br)cs1)C(=O)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000423025526 563353295 /nfs/dbraw/zinc/35/32/95/563353295.db2.gz LUWPCXVGNVPLML-ZDUSSCGKSA-N 1 0 383.315 2.904 20 0 GFADRO CCOC(=O)[C@@H]1NCC[C@H]1[NH2+]CCc1csc(-c2ccc(Cl)cc2)n1 ZINC000423013013 563353332 /nfs/dbraw/zinc/35/33/32/563353332.db2.gz LVDAWPRFHPRSHR-HZPDHXFCSA-N 1 0 379.913 2.889 20 0 GFADRO C[C@H]1CN(C(=O)C(=O)N(Cc2cccs2)Cc2cccs2)CC[C@@H]1[NH3+] ZINC000423014550 563353350 /nfs/dbraw/zinc/35/33/50/563353350.db2.gz IRYILWKYFWOOOM-BBRMVZONSA-N 1 0 377.535 2.534 20 0 GFADRO CCOC(=O)[C@@H]1NCC[C@H]1[NH2+][C@@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000423045558 563353535 /nfs/dbraw/zinc/35/35/35/563353535.db2.gz CEMJKPBUMKMSGB-BZUAXINKSA-N 1 0 385.277 2.923 20 0 GFADRO CCS(=O)(=O)CCCCC[NH2+][C@@H](c1ccc(C)cc1)[C@@H](C)S(C)(=O)=O ZINC000280781600 563353744 /nfs/dbraw/zinc/35/37/44/563353744.db2.gz IJLDFTXWUQBVBX-SJLPKXTDSA-N 1 0 389.583 2.664 20 0 GFADRO [NH3+][C@H](CC1CCCCC1)C(=O)NCCNC(=O)c1ccc(Br)cc1 ZINC000423065863 563354060 /nfs/dbraw/zinc/35/40/60/563354060.db2.gz VKLUQKSYFQFKGD-MRXNPFEDSA-N 1 0 396.329 2.593 20 0 GFADRO C[C@@H](C[C@H]1COCCN1)[NH2+]Cc1ccc(I)cc1Cl ZINC000423093146 563354730 /nfs/dbraw/zinc/35/47/30/563354730.db2.gz GBRCAAQYMUMSAD-GWCFXTLKSA-N 1 0 394.684 2.801 20 0 GFADRO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N[C@@H](C)c1ccc(Br)cn1 ZINC000280788011 563354937 /nfs/dbraw/zinc/35/49/37/563354937.db2.gz HIRDOWATTGRJQC-LRDDRELGSA-N 1 0 384.318 2.815 20 0 GFADRO C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)C(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000423085782 563354889 /nfs/dbraw/zinc/35/48/89/563354889.db2.gz KNIYQSMLYAYFOU-UPJWGTAASA-N 1 0 386.323 2.956 20 0 GFADRO C[NH2+]C[C@H]1CCCN(C(=O)C(=O)N(C)[C@H](C)c2ccc(Cl)cc2Cl)C1 ZINC000423091889 563354895 /nfs/dbraw/zinc/35/48/95/563354895.db2.gz ZMMIJBVLTATURD-CHWSQXEVSA-N 1 0 386.323 2.971 20 0 GFADRO C[C@H](Nc1cnc(N2CCOCC2)c(Br)c1)c1c[nH+]ccc1N ZINC000423094242 563354939 /nfs/dbraw/zinc/35/49/39/563354939.db2.gz BJHGFVVSSVZPSR-NSHDSACASA-N 1 0 378.274 2.661 20 0 GFADRO CN(CC(C)(C)C[NH3+])C(=O)C(=O)N1CCC[C@H]1c1cccc(Br)c1 ZINC000423099478 563355588 /nfs/dbraw/zinc/35/55/88/563355588.db2.gz APOYUXGPQRRMAF-HNNXBMFYSA-N 1 0 396.329 2.556 20 0 GFADRO Fc1cc(Br)c(CN[C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)cc1F ZINC000423106031 563355649 /nfs/dbraw/zinc/35/56/49/563355649.db2.gz JFIAWEVNWLTBPQ-HFBAOOFYSA-N 1 0 375.257 2.974 20 0 GFADRO CCC(CC)[C@H](O)C[NH2+][C@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000280823740 563355819 /nfs/dbraw/zinc/35/58/19/563355819.db2.gz WXGFLUDZGQDYPI-QMTHXVAHSA-N 1 0 393.347 2.544 20 0 GFADRO C[C@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)C(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000423118125 563356228 /nfs/dbraw/zinc/35/62/28/563356228.db2.gz YVXZTTZZMCLCPT-YRGRVCCFSA-N 1 0 386.323 2.956 20 0 GFADRO COC[C@@]1(C(=O)N2CCO[C@H](c3cc(F)c(Cl)cc3Cl)C2)CC[NH2+]C1 ZINC000423150378 563356627 /nfs/dbraw/zinc/35/66/27/563356627.db2.gz BVZZINCPVFZNHN-DOTOQJQBSA-N 1 0 391.270 2.659 20 0 GFADRO C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)NCC1([S@](C)=O)CCC1 ZINC000280854200 563357377 /nfs/dbraw/zinc/35/73/77/563357377.db2.gz WYEFJALCPARWGB-VWLOTQADSA-N 1 0 385.961 2.714 20 0 GFADRO Cc1cn2c(n1)CC[C@H](NC(=O)[C@H](C)Oc1ccc(F)cc1Br)C2 ZINC000373992715 563357700 /nfs/dbraw/zinc/35/77/00/563357700.db2.gz OGGDSKDCPNSSHJ-AAEUAGOBSA-N 1 0 396.260 2.992 20 0 GFADRO O=C1CCCN1CC[NH2+][C@@H](CO)c1ccc(Br)cc1C(F)(F)F ZINC000280859876 563357974 /nfs/dbraw/zinc/35/79/74/563357974.db2.gz YQIWSXGMAPZBPL-ZDUSSCGKSA-N 1 0 395.219 2.713 20 0 GFADRO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N(Cc2ccc(Cl)c(Cl)c2)C2CC2)C1 ZINC000423172657 563358007 /nfs/dbraw/zinc/35/80/07/563358007.db2.gz UOYJSZLFPOKOKZ-ZDUSSCGKSA-N 1 0 384.307 2.552 20 0 GFADRO COc1ccc(C[C@H](CO)CN[C@H](C)[C@H]2CCCC[NH2+]2)cc1Br ZINC000423165762 563358010 /nfs/dbraw/zinc/35/80/10/563358010.db2.gz UVHDXTKIMWSKIM-UKPHBRMFSA-N 1 0 385.346 2.729 20 0 GFADRO CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000423190955 563358485 /nfs/dbraw/zinc/35/84/85/563358485.db2.gz SFDOWHNYUROZTE-GOSISDBHSA-N 1 0 384.307 2.554 20 0 GFADRO Cn1cc(Br)c(C(=O)N2C[C@H]3CCC[N@@H+]3Cc3ccccc32)n1 ZINC000298539862 563358965 /nfs/dbraw/zinc/35/89/65/563358965.db2.gz JTZKGNDGBQFQSJ-CYBMUJFWSA-N 1 0 375.270 2.807 20 0 GFADRO COC[C@@]1(C(=O)NCc2cc(Cl)cc(Cl)c2OC(F)F)CC[NH2+]C1 ZINC000423251949 563359713 /nfs/dbraw/zinc/35/97/13/563359713.db2.gz SPQAQARBGHDVHC-OAHLLOKOSA-N 1 0 383.222 2.837 20 0 GFADRO CCn1ccnc1[C@H](N[C@@H](C)C[NH3+])c1ccc(I)cc1 ZINC000423377636 563360131 /nfs/dbraw/zinc/36/01/31/563360131.db2.gz VWLMGFQRTDQQJU-SMDDNHRTSA-N 1 0 384.265 2.534 20 0 GFADRO COC(=O)C1CC[NH+](CCCNC(=O)c2sccc2Br)CC1 ZINC000298576263 563360474 /nfs/dbraw/zinc/36/04/74/563360474.db2.gz CIRHZYPGUXGMRV-UHFFFAOYSA-N 1 0 389.315 2.516 20 0 GFADRO CN1CCNC[C@@H]1C[NH2+][C@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC000423484746 563361070 /nfs/dbraw/zinc/36/10/70/563361070.db2.gz AJLOUZWRUYMXRU-DYVFJYSZSA-N 1 0 377.330 2.801 20 0 GFADRO CCc1ccccc1[C@@H](N)C[NH2+][C@@H](C)Cn1cc(Br)ccc1=O ZINC000423508410 563361280 /nfs/dbraw/zinc/36/12/80/563361280.db2.gz QRKKCESQMXLJPE-GUYCJALGSA-N 1 0 378.314 2.851 20 0 GFADRO CC1(C)C[NH2+]CC[C@H]1NC(=O)CNC(=O)c1sc2ccccc2c1Cl ZINC000423740931 563363350 /nfs/dbraw/zinc/36/33/50/563363350.db2.gz JKMULDXPCNRYCH-CYBMUJFWSA-N 1 0 379.913 2.789 20 0 GFADRO CCCCC(=O)N1CSC[C@H]1C(=O)Nc1ncc(C2CC[NH2+]CC2)s1 ZINC000423946820 563364931 /nfs/dbraw/zinc/36/49/31/563364931.db2.gz JXSXWNKNXRUMHU-ZDUSSCGKSA-N 1 0 382.555 2.640 20 0 GFADRO Cc1nc(C(=O)N2CC[C@@H](C)[C@@H](C[NH3+])C2)nn1-c1c(Cl)cccc1Cl ZINC000424016603 563366818 /nfs/dbraw/zinc/36/68/18/563366818.db2.gz OAUVXEKOTOUQGG-PWSUYJOCSA-N 1 0 382.295 2.939 20 0 GFADRO CCn1cc(Br)cc1C(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000424011242 563367032 /nfs/dbraw/zinc/36/70/32/563367032.db2.gz MVLCYKUDXNYSQY-LSDHHAIUSA-N 1 0 380.261 2.977 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)c2ccc(Br)c(OC(F)(F)F)c2)CCCO1 ZINC000424017793 563367102 /nfs/dbraw/zinc/36/71/02/563367102.db2.gz HKJJJFODUZJUMN-JTQLQIEISA-N 1 0 397.191 2.538 20 0 GFADRO CCSc1cc(Cl)ccc1C(=O)N1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000424004352 563367151 /nfs/dbraw/zinc/36/71/51/563367151.db2.gz QKCLNYQVJYUKAZ-CQSZACIVSA-N 1 0 379.917 2.980 20 0 GFADRO CCOc1c(Br)cc(C(=O)N2CC[C@H](C)[C@@H](C[NH3+])C2)cc1OC ZINC000424016020 563367300 /nfs/dbraw/zinc/36/73/00/563367300.db2.gz NMHXOFJFYDCPBE-AAEUAGOBSA-N 1 0 385.302 2.913 20 0 GFADRO CC(C)c1n[nH]c(C(=O)N2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)c1Br ZINC000374410587 563371301 /nfs/dbraw/zinc/37/13/01/563371301.db2.gz HYLRLJKNCRFGRO-YNEHKIRRSA-N 1 0 399.333 2.619 20 0 GFADRO CNC(=O)[C@@]1(C)CC[N@H+](Cc2cc(Br)c3c(c2)OCCCO3)C1 ZINC000281259269 563371495 /nfs/dbraw/zinc/37/14/95/563371495.db2.gz XWPFWEUHPNSLTP-KRWDZBQOSA-N 1 0 383.286 2.568 20 0 GFADRO C[C@@H]([NH2+][C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1)[C@@H]1CCCCO1 ZINC000281249181 563371524 /nfs/dbraw/zinc/37/15/24/563371524.db2.gz XCBDIAHLZIMLSC-WDMOLILDSA-N 1 0 391.331 2.705 20 0 GFADRO C[C@@H]1CC2(CN1C(=O)Cc1cccc(I)c1)CC[NH2+]CC2 ZINC000424229554 563374393 /nfs/dbraw/zinc/37/43/93/563374393.db2.gz ZJWGJHRLCLQOEP-CYBMUJFWSA-N 1 0 398.288 2.824 20 0 GFADRO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]C[C@@H]1CCN(C)C(=O)C1 ZINC000424332228 563375648 /nfs/dbraw/zinc/37/56/48/563375648.db2.gz UVOBBYQPVCYZLX-CHWSQXEVSA-N 1 0 382.302 2.624 20 0 GFADRO CC(=O)c1ccc(Cl)c(S(=O)(=O)N2C[C@@H]3[C@H]4CCCC[N@H+]4C[C@H]3C2)c1 ZINC000374553862 563375978 /nfs/dbraw/zinc/37/59/78/563375978.db2.gz HGLHKQDELJXFLA-YQQAZPJKSA-N 1 0 382.913 2.647 20 0 GFADRO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]C[C@@H]1CCN(C)C(=O)C1 ZINC000424329238 563376278 /nfs/dbraw/zinc/37/62/78/563376278.db2.gz QNBMXRQBFUPNAX-CHWSQXEVSA-N 1 0 382.302 2.624 20 0 GFADRO CN(C)c1noc([C@H]2CCC[N@H+](C[C@H](O)c3cccc(Br)c3)C2)n1 ZINC000374621252 563378026 /nfs/dbraw/zinc/37/80/26/563378026.db2.gz VGQBWYPQMALBDP-ZFWWWQNUSA-N 1 0 395.301 2.811 20 0 GFADRO CS(=O)(=O)c1cc(C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c(Cl)cc1Cl ZINC000374612754 563378171 /nfs/dbraw/zinc/37/81/71/563378171.db2.gz POHNPHHHRBFUPV-CHIMOYNISA-N 1 0 391.320 2.596 20 0 GFADRO Cc1cc(CNC(=O)N[C@@H]2CCCC[C@H]2[NH3+])ccc1I ZINC000424480426 563380276 /nfs/dbraw/zinc/38/02/76/563380276.db2.gz PVDYQHYJDTWMHM-ZIAGYGMSSA-N 1 0 387.265 2.669 20 0 GFADRO CC(C)[C@H]([NH3+])CNC(=O)NCc1cc(Cl)cc(I)c1 ZINC000424480698 563380306 /nfs/dbraw/zinc/38/03/06/563380306.db2.gz QJOQBJMHBYSSHF-GFCCVEGCSA-N 1 0 395.672 2.727 20 0 GFADRO COc1ncc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1Br ZINC000424553712 563381607 /nfs/dbraw/zinc/38/16/07/563381607.db2.gz CDADERZITHALKB-OAHLLOKOSA-N 1 0 390.281 2.857 20 0 GFADRO Cc1sc(C(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)cc1Br ZINC000424557366 563381735 /nfs/dbraw/zinc/38/17/35/563381735.db2.gz IFIOUCGEQPLZIQ-LBPRGKRZSA-N 1 0 375.332 2.906 20 0 GFADRO CS(=O)(=O)N1CC[C@H](C[N@@H+]2CCC[C@@H]2c2ccc(Br)cc2)C1 ZINC000374772877 563382397 /nfs/dbraw/zinc/38/23/97/563382397.db2.gz ALDQJAIQDVOWTM-CZUORRHYSA-N 1 0 387.343 2.868 20 0 GFADRO CS(=O)(=O)Nc1c[nH]nc1[C@H]1CCC[N@H+](CCSc2ccccc2)C1 ZINC000374812122 563382836 /nfs/dbraw/zinc/38/28/36/563382836.db2.gz ZSACQWUTRHVMCC-AWEZNQCLSA-N 1 0 380.539 2.753 20 0 GFADRO O=C(Cn1cc(Br)cn1)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000299436766 563383654 /nfs/dbraw/zinc/38/36/54/563383654.db2.gz HXVMQJCACGEIEN-CYBMUJFWSA-N 1 0 397.342 2.736 20 0 GFADRO C[N@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(CCS(C)(=O)=O)CC1 ZINC000299519623 563384804 /nfs/dbraw/zinc/38/48/04/563384804.db2.gz CUKGIMGYRTWJSB-UHFFFAOYSA-N 1 0 378.460 2.646 20 0 GFADRO COc1cc[nH+]c(N2CCN(C(=O)c3cc(Br)oc3C)CC2)c1 ZINC000424651567 563385376 /nfs/dbraw/zinc/38/53/76/563385376.db2.gz VQAMSHDORSRAMF-UHFFFAOYSA-N 1 0 380.242 2.717 20 0 GFADRO C[C@H](NC(=O)[C@@]1([NH+](C)C)CCCSC1)C1CCN(CC(F)(F)F)CC1 ZINC000374999458 563387304 /nfs/dbraw/zinc/38/73/04/563387304.db2.gz DBDTYQPOFSNSFE-XJKSGUPXSA-N 1 0 381.508 2.593 20 0 GFADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)Cc2noc3ccc(Br)cc32)C1 ZINC000424686475 563387389 /nfs/dbraw/zinc/38/73/89/563387389.db2.gz ARODFTDTOGSFMN-LBPRGKRZSA-N 1 0 380.286 2.933 20 0 GFADRO O=C(NC1CC[NH+](C2CC2)CC1)c1cc(F)ccc1I ZINC000299633100 563388077 /nfs/dbraw/zinc/38/80/77/563388077.db2.gz LYMSKIBDAAYOPO-UHFFFAOYSA-N 1 0 388.224 2.787 20 0 GFADRO Cc1sc2ncnc(SCC(=O)N3CC[C@H]4CC[N@@H+](C)[C@@H]4C3)c2c1C ZINC000375062089 563388650 /nfs/dbraw/zinc/38/86/50/563388650.db2.gz SEIJNVJXANZMJM-ZIAGYGMSSA-N 1 0 376.551 2.953 20 0 GFADRO CCO[C@@H](CC[NH+](C)C)CNC(=O)Cc1noc2ccc(Br)cc12 ZINC000424722880 563388772 /nfs/dbraw/zinc/38/87/72/563388772.db2.gz YOKRQJQFLFRQNQ-ZDUSSCGKSA-N 1 0 398.301 2.606 20 0 GFADRO Cc1sc(C(=O)NCCCC[N@@H+]2CCC[C@@H]2CO)cc1Br ZINC000424735878 563389519 /nfs/dbraw/zinc/38/95/19/563389519.db2.gz JOVDIVPERVUPRU-GFCCVEGCSA-N 1 0 375.332 2.786 20 0 GFADRO COc1ncc(C(=O)N2CC([N@H+](C)Cc3ccccc3)C2)cc1Br ZINC000424836514 563394261 /nfs/dbraw/zinc/39/42/61/563394261.db2.gz MJGWTWPVWXHKNS-UHFFFAOYSA-N 1 0 390.281 2.809 20 0 GFADRO CC(=O)c1cc(S(=O)(=O)N2CCC[C@@H]2c2ncc[nH]2)ccc1Br ZINC000375197671 563394698 /nfs/dbraw/zinc/39/46/98/563394698.db2.gz PAWSIZUDKLRNBB-CQSZACIVSA-N 1 0 398.282 2.901 20 0 GFADRO C[C@H]1CCC[N@H+](Cc2ccccc2CNc2ncc(S(N)(=O)=O)s2)C1 ZINC000301163433 563395267 /nfs/dbraw/zinc/39/52/67/563395267.db2.gz URYQAVXYGIMVIF-ZDUSSCGKSA-N 1 0 380.539 2.635 20 0 GFADRO C[NH+](C)C[C@@H]1CCN(C(=O)N[C@H]2CCOc3c(Br)cccc32)C1 ZINC000282058010 563395725 /nfs/dbraw/zinc/39/57/25/563395725.db2.gz ANFYTULSVCVBOI-WFASDCNBSA-N 1 0 382.302 2.866 20 0 GFADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNc2ncnc3c2c(Br)nn3C)C1 ZINC000301180998 563395845 /nfs/dbraw/zinc/39/58/45/563395845.db2.gz ZFJNXDXMBOALNN-TXEJJXNPSA-N 1 0 381.322 2.906 20 0 GFADRO CC1CC[NH+]([C@@H](CNc2ncccc2S(N)(=O)=O)c2cccs2)CC1 ZINC000301241072 563398009 /nfs/dbraw/zinc/39/80/09/563398009.db2.gz OAMRBHGRXPYLMA-AWEZNQCLSA-N 1 0 380.539 2.676 20 0 GFADRO C[C@H]1CN(C(=O)c2cn3cc(Cl)cc(Cl)c3n2)CC[N@@H+]1CC(C)(C)O ZINC000282145610 563399414 /nfs/dbraw/zinc/39/94/14/563399414.db2.gz CJTBJJCFZVWRAC-NSHDSACASA-N 1 0 385.295 2.558 20 0 GFADRO CN(c1cnn(C)c(=O)c1Br)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000301429419 563403753 /nfs/dbraw/zinc/40/37/53/563403753.db2.gz JBSBUFSNOFPDAB-HNNXBMFYSA-N 1 0 391.313 2.644 20 0 GFADRO CN(C)c1cc[nH+]cc1CNc1cnc(N2CCOCC2)c(Br)c1 ZINC000282384452 563409369 /nfs/dbraw/zinc/40/93/69/563409369.db2.gz XOMAXOVAXDWQIZ-UHFFFAOYSA-N 1 0 392.301 2.754 20 0 GFADRO COc1ccc(S(=O)(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)c(Cl)c1Cl ZINC000425216540 563412049 /nfs/dbraw/zinc/41/20/49/563412049.db2.gz RKDHSKSGVNHKGD-WDEREUQCSA-N 1 0 379.309 2.717 20 0 GFADRO COc1cc2[nH+]ccc(NC[C@@H]3CN(C4CC4)CCO3)c2cc1Br ZINC000425219472 563412802 /nfs/dbraw/zinc/41/28/02/563412802.db2.gz AKIWCBWTZNVQQD-CYBMUJFWSA-N 1 0 392.297 2.703 20 0 GFADRO Cc1[nH]c(=O)c(Br)cc1C(=O)N1CCC[C@H]([NH+]2CCCCC2)C1 ZINC000375663623 563412988 /nfs/dbraw/zinc/41/29/88/563412988.db2.gz DMCDADJPAIXKFR-ZDUSSCGKSA-N 1 0 382.302 2.949 20 0 GFADRO COc1cc2[nH+]ccc(N(C)C[C@H]3CCS(=O)(=O)C3)c2cc1Br ZINC000425229695 563413264 /nfs/dbraw/zinc/41/32/64/563413264.db2.gz LFHFKVGRAGKUNB-LLVKDONJSA-N 1 0 399.310 2.877 20 0 GFADRO COc1cc2[nH+]ccc(N3C[C@@H](CO)OC(C)(C)C3)c2cc1Br ZINC000425256761 563415314 /nfs/dbraw/zinc/41/53/14/563415314.db2.gz BUBNCOPLWZXJTK-NSHDSACASA-N 1 0 381.270 2.982 20 0 GFADRO CCOc1ccccc1C[NH2+]C[C@H]1CCN(S(=O)(=O)c2cccs2)C1 ZINC000375744192 563416941 /nfs/dbraw/zinc/41/69/41/563416941.db2.gz MOZJALBXGUDPIU-OAHLLOKOSA-N 1 0 380.535 2.947 20 0 GFADRO C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000375799458 563418563 /nfs/dbraw/zinc/41/85/63/563418563.db2.gz ZABGGJYINVYYAD-JLZZUVOBSA-N 1 0 386.323 2.851 20 0 GFADRO CC1(C)[C@H]([NH2+]C[C@@H]2CCN(S(=O)(=O)c3cccs3)C2)[C@@H]2CCCO[C@H]21 ZINC000375836377 563420483 /nfs/dbraw/zinc/42/04/83/563420483.db2.gz CFPJCXNHBQUIET-XJNFMUPTSA-N 1 0 384.567 2.552 20 0 GFADRO CC(C)(C(=O)N1CC[C@H](C[NH+]2CCOCC2)C1)c1ccccc1Br ZINC000282751574 563423777 /nfs/dbraw/zinc/42/37/77/563423777.db2.gz NPFMTVCCUFYNLD-OAHLLOKOSA-N 1 0 395.341 2.907 20 0 GFADRO COc1ccc([C@@H](C)[NH2+]CC2(OCCO)CCOCC2)cc1Br ZINC000282788386 563425204 /nfs/dbraw/zinc/42/52/04/563425204.db2.gz QADKHLCEKSMSSR-CYBMUJFWSA-N 1 0 388.302 2.666 20 0 GFADRO Cc1cc(Br)c2c(c1)CN(c1cc(-n3cccn3)nc(N)[nH+]1)CC2 ZINC000302474306 563425274 /nfs/dbraw/zinc/42/52/74/563425274.db2.gz WLPSNVXGZPHUHK-UHFFFAOYSA-N 1 0 385.269 2.878 20 0 GFADRO COC(=O)[C@@H]1C[N@H+](CC(=O)NC(C)(C)C)C[C@H]1c1ccc(Br)cc1 ZINC000425502104 563425706 /nfs/dbraw/zinc/42/57/06/563425706.db2.gz BJGFEMHPSIKNML-LSDHHAIUSA-N 1 0 397.313 2.552 20 0 GFADRO Cn1cc(Br)c(CN2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)n1 ZINC000425507772 563425767 /nfs/dbraw/zinc/42/57/67/563425767.db2.gz IAEARAJPNKYLNA-MAUKXSAKSA-N 1 0 375.314 2.889 20 0 GFADRO COc1ccc(Br)cc1CNC(=O)N1CC[C@H]2CC[N@H+](C)[C@H]2C1 ZINC000376166883 563432209 /nfs/dbraw/zinc/43/22/09/563432209.db2.gz OMKMLRIJSSUZMP-DOMZBBRYSA-N 1 0 382.302 2.693 20 0 GFADRO CC1CCN(C(=[NH2+])NCCCNC(=O)c2cccc(Br)c2)CC1 ZINC000303385447 563433152 /nfs/dbraw/zinc/43/31/52/563433152.db2.gz VTBQJBKDGRDWMS-UHFFFAOYSA-N 1 0 381.318 2.825 20 0 GFADRO Cc1sc(=O)n(CCC(=O)N[C@H](C[NH+](C)C)c2ccc(Cl)cc2)c1C ZINC000283040114 563434042 /nfs/dbraw/zinc/43/40/42/563434042.db2.gz VBQYXNWZDTZYBM-MRXNPFEDSA-N 1 0 381.929 2.989 20 0 GFADRO O=C(Nc1ccsc1)C(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000376253455 563434949 /nfs/dbraw/zinc/43/49/49/563434949.db2.gz LHHJPLZRBVNEQX-UHFFFAOYSA-N 1 0 375.416 2.608 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)Nc1ccn(CCC(F)(F)F)n1)c1cccs1 ZINC000425764027 563436262 /nfs/dbraw/zinc/43/62/62/563436262.db2.gz SIKVYKVCXQYFQP-LLVKDONJSA-N 1 0 375.420 3.321 20 0 GFADRO Cc1cn2c(n1)[C@H](C[N-]S(=O)(=O)c1c(Cl)ccc(F)c1F)CCC2 ZINC000376390517 563440560 /nfs/dbraw/zinc/44/05/60/563440560.db2.gz DBJKOQUXMHIAAR-JTQLQIEISA-N 1 0 375.828 2.979 20 0 GFADRO C[C@@H](CNS(=O)(=O)c1ccc(Br)c(F)c1)C[NH+]1CCCCC1 ZINC000318215685 563442932 /nfs/dbraw/zinc/44/29/32/563442932.db2.gz UCDSNLPBMBEBFO-LBPRGKRZSA-N 1 0 393.322 2.989 20 0 GFADRO Cc1cc(NC(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)cc(C)c1Br ZINC000426107839 563443342 /nfs/dbraw/zinc/44/33/42/563443342.db2.gz BVMSTWJIZHFCRI-ZFWWWQNUSA-N 1 0 394.313 2.747 20 0 GFADRO O=C(C1CC1)N1CCC([NH2+]Cc2cc3c(cc2Br)OCO3)CC1 ZINC000319739103 563445740 /nfs/dbraw/zinc/44/57/40/563445740.db2.gz CSYCZLNTGAMFGF-UHFFFAOYSA-N 1 0 381.270 2.668 20 0 GFADRO O=C(c1cc(Br)cc2nc[nH]c21)N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000376570584 563446607 /nfs/dbraw/zinc/44/66/07/563446607.db2.gz LAJWCOSHDJOXTM-HZUKXOBISA-N 1 0 389.297 2.882 20 0 GFADRO CC(C)[C@@H]([NH3+])c1cn(CC(=O)N[C@@H](C)c2ccc(Br)cc2)nn1 ZINC000321843631 563448467 /nfs/dbraw/zinc/44/84/67/563448467.db2.gz FRQBCNGGLGBMJL-MEDUHNTESA-N 1 0 380.290 2.574 20 0 GFADRO Cn1nc(C(F)(F)F)c(C[NH2+]C[C@@H]2CCC3(CCOCC3)[C@@H]2O)c1Cl ZINC000376750835 563452667 /nfs/dbraw/zinc/45/26/67/563452667.db2.gz MMJVOFHCDFDRBE-GXFFZTMASA-N 1 0 381.826 2.750 20 0 GFADRO O=S(=O)(c1ccccc1OC(F)(F)F)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000326601006 563455015 /nfs/dbraw/zinc/45/50/15/563455015.db2.gz AHGGSXLFSUIAKE-STQMWFEESA-N 1 0 378.416 2.738 20 0 GFADRO CN(Cc1c(Cl)cccc1Cl)C(=O)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000283919899 563458872 /nfs/dbraw/zinc/45/88/72/563458872.db2.gz JPYKDTBTGPFOSV-UHFFFAOYSA-N 1 0 384.307 2.695 20 0 GFADRO CCCC[N@H+](C)CCNC(=O)C(=O)Nc1cc(F)cc(Br)c1F ZINC000427103865 563459807 /nfs/dbraw/zinc/45/98/07/563459807.db2.gz LLSISBNDXVHPAX-UHFFFAOYSA-N 1 0 392.244 2.514 20 0 GFADRO O=C(C[C@@H]1CCC[NH2+]CC1)N[C@H]1CCN(c2ccccc2Br)C1 ZINC000427293642 563464530 /nfs/dbraw/zinc/46/45/30/563464530.db2.gz DFRLRFQGZQDOOO-CABCVRRESA-N 1 0 380.330 2.924 20 0 GFADRO Cc1ccsc1S(=O)(=O)N1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000427282004 563464659 /nfs/dbraw/zinc/46/46/59/563464659.db2.gz RZYRSAJYZIHRIV-IYBDPMFKSA-N 1 0 386.583 2.957 20 0 GFADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)Nc1cc(F)c(Br)cc1F ZINC000377180019 563465980 /nfs/dbraw/zinc/46/59/80/563465980.db2.gz XAHVVGFSEIUOBV-VHSXEESVSA-N 1 0 390.228 2.712 20 0 GFADRO O=C(C[C@H]1CC[NH2+]C1)N1CCC(C(=O)Nc2cccc(Br)c2)CC1 ZINC000427379622 563466983 /nfs/dbraw/zinc/46/69/83/563466983.db2.gz LQBKSGOVQFUMPO-CYBMUJFWSA-N 1 0 394.313 2.626 20 0 GFADRO C[C@H]1CN(C(=O)c2sccc2Br)CCN1C1CC[NH+](C)CC1 ZINC000377256379 563468554 /nfs/dbraw/zinc/46/85/54/563468554.db2.gz KTZVRTRVRSJIHQ-LBPRGKRZSA-N 1 0 386.359 2.751 20 0 GFADRO COc1ccc([C@@H](C[NH+](C)C)NC(=O)C(=O)Nc2ccsc2Cl)cc1 ZINC000284319744 563471018 /nfs/dbraw/zinc/47/10/18/563471018.db2.gz POYHQYWVLVIXSH-CQSZACIVSA-N 1 0 381.885 2.768 20 0 GFADRO O[C@H](COc1cc(Cl)ccc1Cl)CN1CCOC[C@@H]1[C@H]1CCCO1 ZINC000329048932 563471433 /nfs/dbraw/zinc/47/14/33/563471433.db2.gz GOUYZXLZJHUNQZ-NUEKZKHPSA-N 1 0 376.280 2.613 20 0 GFADRO C[C@@H](Cc1ccc(F)cc1Br)[NH2+][C@@H]1CCN(c2ccn(C)n2)C1=O ZINC000377353155 563471742 /nfs/dbraw/zinc/47/17/42/563471742.db2.gz UUBGZYHFUYSANA-XHDPSFHLSA-N 1 0 395.276 2.648 20 0 GFADRO COc1ncc([C@H](C)[NH2+]C2CCN(S(=O)(=O)C(C)(C)C)CC2)cc1Cl ZINC000284406862 563473841 /nfs/dbraw/zinc/47/38/41/563473841.db2.gz QAYHTJIIYTXAQO-LBPRGKRZSA-N 1 0 389.949 2.987 20 0 GFADRO CCN(CC[NH+]1CCCCCC1)C(=O)Cc1cc[nH]c(=O)c1Br ZINC000329241378 563476677 /nfs/dbraw/zinc/47/66/77/563476677.db2.gz RPVWBZUHQXYCRQ-UHFFFAOYSA-N 1 0 384.318 2.817 20 0 GFADRO NC(=O)[C@@H]([NH2+][C@@H]1CCN(c2ccccc2F)C1)c1cccc(Br)c1 ZINC000427826428 563477028 /nfs/dbraw/zinc/47/70/28/563477028.db2.gz LODXRJJPZLHOFH-PBHICJAKSA-N 1 0 392.272 2.983 20 0 GFADRO O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cnn(-c2cccc(Br)c2)c1 ZINC000377575004 563479481 /nfs/dbraw/zinc/47/94/81/563479481.db2.gz JSHAHJRPTGEZPJ-JKSUJKDBSA-N 1 0 389.297 2.991 20 0 GFADRO OC[C@H]1CCC[N@@H+]1C[C@@H]1CCCN1Cc1nc2ccccn2c1Br ZINC000377615206 563480821 /nfs/dbraw/zinc/48/08/21/563480821.db2.gz LCCMICVNAQPNBK-LSDHHAIUSA-N 1 0 393.329 2.518 20 0 GFADRO COc1ccc(Br)c(CN2CCC[C@H](C[NH+]3CCN(C)CC3)C2)c1 ZINC000377621123 563481143 /nfs/dbraw/zinc/48/11/43/563481143.db2.gz GMSOKARHBUPVOU-MRXNPFEDSA-N 1 0 396.373 2.917 20 0 GFADRO Cn1cc(Br)cc1C(=O)NC[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000377650600 563481608 /nfs/dbraw/zinc/48/16/08/563481608.db2.gz YNCYAQFRHYRRHG-OAHLLOKOSA-N 1 0 391.313 2.825 20 0 GFADRO CC1CC[NH+](CC(=O)N[C@@H]2CCN(c3cccc(Br)c3)C2)CC1 ZINC000428061921 563481624 /nfs/dbraw/zinc/48/16/24/563481624.db2.gz PIQZQWNSYSVRSW-MRXNPFEDSA-N 1 0 380.330 2.876 20 0 GFADRO CC[NH+]1CCC(N(C)C(=O)c2cc3c(cc2Br)NC(=O)CO3)CC1 ZINC000329487861 563481651 /nfs/dbraw/zinc/48/16/51/563481651.db2.gz XXORZUYARCFPME-UHFFFAOYSA-N 1 0 396.285 2.986 20 0 GFADRO CN(C(=O)CC[C@@H]1CCCC[N@@H+]1C)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000329523298 563482003 /nfs/dbraw/zinc/48/20/03/563482003.db2.gz GKBPUPFLRYGCKV-GOEBONIOSA-N 1 0 384.929 2.891 20 0 GFADRO COc1ccc(CC[NH2+][C@H](C)Cn2cc(Br)ccc2=O)cc1OC ZINC000428221389 563485276 /nfs/dbraw/zinc/48/52/76/563485276.db2.gz FTJDTOXQUQOZDE-CYBMUJFWSA-N 1 0 395.297 2.849 20 0 GFADRO Cc1ncc(C[N@@H+]2CC[C@H](NC(=O)Cc3c(C)noc3Cl)[C@@H](C)C2)s1 ZINC000377770691 563486118 /nfs/dbraw/zinc/48/61/18/563486118.db2.gz AOKNEYKYUGWWRB-BONVTDFDSA-N 1 0 382.917 2.971 20 0 GFADRO Cc1sc(=O)n(CCC(=O)NC[C@@H]2CC[N@@H+](C)[C@H]2c2cccs2)c1C ZINC000377773359 563486564 /nfs/dbraw/zinc/48/65/64/563486564.db2.gz DPLHWSKGRGVBAK-WMLDXEAASA-N 1 0 379.551 2.787 20 0 GFADRO CN(C(=O)[C@H]1CCN(c2cc(Cl)ccc2Cl)C1=O)[C@H]1CCC[NH2+]CC1 ZINC000377848343 563488686 /nfs/dbraw/zinc/48/86/86/563488686.db2.gz WJJJLXVIORPNEE-UONOGXRCSA-N 1 0 384.307 2.947 20 0 GFADRO COC(=O)c1ccc(C[N@@H+]2CC[C@@H](c3nccn3C)C2)c(Br)c1 ZINC000377886908 563490240 /nfs/dbraw/zinc/49/02/40/563490240.db2.gz BHDHYAPOWSOVHU-CQSZACIVSA-N 1 0 378.270 2.959 20 0 GFADRO COC(=O)CN1CCC[N@H+](CCC(=O)Nc2cc(Cl)ccc2Cl)CC1 ZINC000377955471 563491978 /nfs/dbraw/zinc/49/19/78/563491978.db2.gz IGQRFDCKAQPWDJ-UHFFFAOYSA-N 1 0 388.295 2.503 20 0 GFADRO CN1C(=O)N[C@@]2(CCC[C@H]2C[NH2+]Cc2csc(-c3ccsc3)n2)C1=O ZINC000377977666 563492789 /nfs/dbraw/zinc/49/27/89/563492789.db2.gz MKUVBPRNGBNGFP-YVEFUNNKSA-N 1 0 376.507 2.682 20 0 GFADRO O=C(N[C@H](CO)CC(F)F)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000428474873 563492868 /nfs/dbraw/zinc/49/28/68/563492868.db2.gz MFVKOQCYBGDANJ-HNNXBMFYSA-N 1 0 375.847 2.620 20 0 GFADRO CCC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)c1 ZINC000378053696 563494570 /nfs/dbraw/zinc/49/45/70/563494570.db2.gz JOWHLBALJIHGFS-HNNXBMFYSA-N 1 0 384.929 2.943 20 0 GFADRO COCc1cnc(C[NH2+]C[C@@H](CO)Cc2cccc(Br)c2)s1 ZINC000428545627 563495551 /nfs/dbraw/zinc/49/55/51/563495551.db2.gz KULVZMNYACDWKQ-ZDUSSCGKSA-N 1 0 385.327 2.993 20 0 GFADRO CC(C)NC(=O)NC(=O)[C@@H](C)[NH2+][C@H](c1cncc(Br)c1)C1CC1 ZINC000284956709 563496797 /nfs/dbraw/zinc/49/67/97/563496797.db2.gz XCGPQLPCMSAXHN-YGRLFVJLSA-N 1 0 383.290 2.508 20 0 GFADRO CSc1ccc(Cl)c(C(=O)NC[C@@]2(N3CCOCC3)CCCOC2)c1 ZINC000378159352 563497839 /nfs/dbraw/zinc/49/78/39/563497839.db2.gz NUTFKKHUXNCASN-SFHVURJKSA-N 1 0 384.929 2.673 20 0 GFADRO C[C@H](NC(=O)C[N@@H+]1CC[C@@H]([C@H]2CCOC2)C1)c1ccc(Br)cc1 ZINC000378235926 563499574 /nfs/dbraw/zinc/49/95/74/563499574.db2.gz XTLVSBGIMLIFNM-IMJJTQAJSA-N 1 0 381.314 2.985 20 0 GFADRO COCC[NH+]1CCC(NC(=O)C2(c3cc(F)cc(Br)c3)CC2)CC1 ZINC000285059324 563501007 /nfs/dbraw/zinc/50/10/07/563501007.db2.gz KNJXPESPGPOFON-UHFFFAOYSA-N 1 0 399.304 2.847 20 0 GFADRO C[C@@H]([NH2+][C@@H](CO)c1ccc(Br)cc1)C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000428798284 563502211 /nfs/dbraw/zinc/50/22/11/563502211.db2.gz GQMDXZIIOVKAKO-OEUWWYETSA-N 1 0 383.330 2.965 20 0 GFADRO C[C@H]1CN(C(=O)c2cc(Br)ccc2F)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000378313180 563502258 /nfs/dbraw/zinc/50/22/58/563502258.db2.gz JMLRTBBSVGCVBZ-GUYCJALGSA-N 1 0 398.320 2.686 20 0 GFADRO O=C1CC2(CN1)CC[NH+](Cc1cnn(-c3ccc(Br)cc3)c1)CC2 ZINC000378341747 563503339 /nfs/dbraw/zinc/50/33/39/563503339.db2.gz LTZLSCJBNLSEGY-UHFFFAOYSA-N 1 0 389.297 2.737 20 0 GFADRO C[C@H](c1ccccc1)[C@H]([NH2+]Cc1cc2c(c(Br)c1)OCO2)C(N)=O ZINC000428857392 563503546 /nfs/dbraw/zinc/50/35/46/563503546.db2.gz RHUPSUJGPOVDQV-BZNIZROVSA-N 1 0 391.265 2.925 20 0 GFADRO C[C@H](NC(=O)c1[nH]nc(-c2ccccc2)c1Br)[C@H]1CCC[NH2+]C1 ZINC000428958086 563504726 /nfs/dbraw/zinc/50/47/26/563504726.db2.gz UIZIGISFSGTKEB-AAEUAGOBSA-N 1 0 377.286 2.957 20 0 GFADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)Nc3ccc(I)cc3)C[C@H]21 ZINC000378449635 563507349 /nfs/dbraw/zinc/50/73/49/563507349.db2.gz GHBUXLOEDXSDNU-BXUZGUMPSA-N 1 0 385.249 2.849 20 0 GFADRO C[C@H]1C[C@@H]1[N@@H+]1CCN([C@H](C(N)=O)c2ccc(Br)cc2F)C[C@@H](C)C1 ZINC000429026902 563508687 /nfs/dbraw/zinc/50/86/87/563508687.db2.gz ALHAKYNMEZXKLS-SYWGBEHUSA-N 1 0 398.320 2.777 20 0 GFADRO O=C(NCCOc1ncc(Cl)cc1Cl)NCC1CC[NH+](C2CC2)CC1 ZINC000429085194 563509377 /nfs/dbraw/zinc/50/93/77/563509377.db2.gz ZINDVERBIJZIRV-UHFFFAOYSA-N 1 0 387.311 2.941 20 0 GFADRO C[C@@H]1CN(C[C@H](O)C[N@@H+]2CC[C@@H](Sc3cccc(Cl)c3)C2)C[C@@H](C)O1 ZINC000429113824 563510168 /nfs/dbraw/zinc/51/01/68/563510168.db2.gz FHMFYPQYOKEDRU-FXRXJOCMSA-N 1 0 384.973 2.977 20 0 GFADRO CC(C)C[C@](C)(C[NH3+])NC(=O)CCNC(=O)Nc1ccc(Br)cc1 ZINC000429136028 563510969 /nfs/dbraw/zinc/51/09/69/563510969.db2.gz VURCAUQGWFQUHM-QGZVFWFLSA-N 1 0 399.333 2.840 20 0 GFADRO Cc1cc(C(=O)N2CC[C@H]([NH3+])[C@H](C)C2)nn1-c1ccc(Br)cc1 ZINC000429183268 563511890 /nfs/dbraw/zinc/51/18/90/563511890.db2.gz NZXJRQIQLBHIQP-ABAIWWIYSA-N 1 0 377.286 2.753 20 0 GFADRO Cc1cc(CC(C)(C)[NH2+]CC(=O)NC(=O)NC2CC2)ccc1Br ZINC000429228558 563512434 /nfs/dbraw/zinc/51/24/34/563512434.db2.gz TXKNJRTVFAYVSJ-UHFFFAOYSA-N 1 0 382.302 2.656 20 0 GFADRO O=C(Nc1cc(Br)ccn1)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000285283191 563512622 /nfs/dbraw/zinc/51/26/22/563512622.db2.gz QPYNQUFJPSULCW-LSDHHAIUSA-N 1 0 397.317 2.734 20 0 GFADRO O=S(=O)(C(F)F)N1CCC(C[NH2+]C2CC(c3ccccc3F)C2)CC1 ZINC000378636445 563512909 /nfs/dbraw/zinc/51/29/09/563512909.db2.gz XEUWPJZWKSCJLY-UHFFFAOYSA-N 1 0 376.444 2.926 20 0 GFADRO C[C@H]([NH2+]Cc1cc(Br)c2c(c1)OCCCO2)C(=O)N1CCCC1 ZINC000378885945 563513774 /nfs/dbraw/zinc/51/37/74/563513774.db2.gz LMBLXKINKGUTIS-LBPRGKRZSA-N 1 0 383.286 2.711 20 0 GFADRO CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1c2cc(Br)ccc2CC1(C)C ZINC000429298452 563513806 /nfs/dbraw/zinc/51/38/06/563513806.db2.gz XDNDTRIMGJCYHD-IINYFYTJSA-N 1 0 382.302 2.896 20 0 GFADRO CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@H]1c2cc(Br)ccc2CC1(C)C ZINC000429298454 563514085 /nfs/dbraw/zinc/51/40/85/563514085.db2.gz XDNDTRIMGJCYHD-YGRLFVJLSA-N 1 0 382.302 2.896 20 0 GFADRO CC1(C)Cc2c(cccc2Br)[C@H]1[NH2+]CCCN1C(=O)CNC1=O ZINC000429387434 563516272 /nfs/dbraw/zinc/51/62/72/563516272.db2.gz YZOXPCWOKWCCOJ-OAHLLOKOSA-N 1 0 380.286 2.604 20 0 GFADRO CC1(C)NC(=O)N(CC[NH2+][C@H]2c3cccc(Br)c3CC2(C)C)C1=O ZINC000429400743 563516431 /nfs/dbraw/zinc/51/64/31/563516431.db2.gz OZFVQIILSAMYTL-AWEZNQCLSA-N 1 0 394.313 2.993 20 0 GFADRO C[C@H]1CN([C@H](C(N)=O)c2ccc(Br)cc2)CC[N@@H+](C2CCC2)C1 ZINC000429403761 563516438 /nfs/dbraw/zinc/51/64/38/563516438.db2.gz TXYFMDMLRGVFKN-DYVFJYSZSA-N 1 0 380.330 2.782 20 0 GFADRO CCS(=O)(=O)NCCC[NH2+][C@H]1c2cccc(Br)c2CC1(C)C ZINC000429407540 563516502 /nfs/dbraw/zinc/51/65/02/563516502.db2.gz OPFHZPIVVKBWEI-HNNXBMFYSA-N 1 0 389.359 2.992 20 0 GFADRO [NH3+]C[C@H]1c2ccccc2CCN1S(=O)(=O)c1ccccc1Br ZINC000387844960 563520625 /nfs/dbraw/zinc/52/06/25/563520625.db2.gz FCFVBOONKLEDFR-HNNXBMFYSA-N 1 0 381.295 2.696 20 0 GFADRO Cc1nc(S(=O)(=O)N(C)CC[NH+](C(C)C)C(C)C)sc1Br ZINC000330768352 563520886 /nfs/dbraw/zinc/52/08/86/563520886.db2.gz YABCEPMESGZVJH-UHFFFAOYSA-N 1 0 398.392 2.953 20 0 GFADRO C[C@@H]([NH2+]C[C@H](CO)Cc1cccc(Br)c1)C(C)(C)n1cncn1 ZINC000285449708 563521659 /nfs/dbraw/zinc/52/16/59/563521659.db2.gz ZKVDKYKAJNMKHI-UKRRQHHQSA-N 1 0 381.318 2.605 20 0 GFADRO O=C(N[C@@H]1CC12CC[NH2+]CC2)c1ccc(I)c(Cl)c1 ZINC000390004255 563523055 /nfs/dbraw/zinc/52/30/55/563523055.db2.gz QXNWCSWYBHZGJF-GFCCVEGCSA-N 1 0 390.652 2.817 20 0 GFADRO [NH3+]C[C@H]1c2ccccc2CCN1S(=O)(=O)c1ccc(Br)cc1F ZINC000391380184 563524698 /nfs/dbraw/zinc/52/46/98/563524698.db2.gz ZYPSUNRGBRTEBK-HNNXBMFYSA-N 1 0 399.285 2.835 20 0 GFADRO COc1ccc(-c2n[nH]cc2C[NH2+]CCn2cc(Br)cn2)cc1 ZINC000285516287 563524903 /nfs/dbraw/zinc/52/49/03/563524903.db2.gz OOUZVASWSWKBKA-UHFFFAOYSA-N 1 0 376.258 2.834 20 0 GFADRO CCN1C[C@H]([NH2+]Cc2ccc(Br)c(Br)c2)CC1=O ZINC000391575178 563525354 /nfs/dbraw/zinc/52/53/54/563525354.db2.gz XYSGSZXIIUCOHC-SNVBAGLBSA-N 1 0 376.092 2.922 20 0 GFADRO COCC[N@H+](C)CCCNC(=O)N[C@H](c1cncc(Br)c1)C1CC1 ZINC000285543528 563526054 /nfs/dbraw/zinc/52/60/54/563526054.db2.gz URWHWMJDUQNBHD-INIZCTEOSA-N 1 0 399.333 2.563 20 0 GFADRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)CCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000285575993 563527528 /nfs/dbraw/zinc/52/75/28/563527528.db2.gz HYSGQFKOPQIIIG-RHSMWYFYSA-N 1 0 386.945 2.693 20 0 GFADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1cc2ccc(Br)cn2n1 ZINC000429942170 563529721 /nfs/dbraw/zinc/52/97/21/563529721.db2.gz KHIODIUXFAOAJN-HIFRSBDPSA-N 1 0 392.301 3.187 20 0 GFADRO O=C(NCC1(c2ccc(Br)cc2)CCCCC1)[C@H]1C[NH2+]CCO1 ZINC000429991734 563530637 /nfs/dbraw/zinc/53/06/37/563530637.db2.gz PLNKLZHVCUEKMS-MRXNPFEDSA-N 1 0 381.314 2.756 20 0 GFADRO Cc1nc(NC(=O)COC2C[NH2+]C2)sc1Cc1cccc(Br)c1 ZINC000429974140 563530950 /nfs/dbraw/zinc/53/09/50/563530950.db2.gz KHRNJHGQHRNIKX-UHFFFAOYSA-N 1 0 396.310 2.732 20 0 GFADRO C[C@H]([NH2+]C[C@H]1CNC(=O)C1)c1ccc(Br)cc1Br ZINC000398399747 563532801 /nfs/dbraw/zinc/53/28/01/563532801.db2.gz MYZIPUOALYDXAN-IUCAKERBSA-N 1 0 376.092 2.998 20 0 GFADRO C[NH+]1CC2(C1)CCN(C(=O)c1cc(Br)cc(Br)c1)C2 ZINC000398697899 563532958 /nfs/dbraw/zinc/53/29/58/563532958.db2.gz KVNSFFVKMFNGPR-UHFFFAOYSA-N 1 0 388.103 2.989 20 0 GFADRO CN(C(=O)C[C@H]1C[NH2+]CCO1)[C@@H]1CCSc2ccc(Br)cc21 ZINC000430104449 563533421 /nfs/dbraw/zinc/53/34/21/563533421.db2.gz JDKHBHIWPBEJML-GXTWGEPZSA-N 1 0 385.327 2.823 20 0 GFADRO C[C@@H]([NH2+][C@@H]1CCCN(S(C)(=O)=O)C1)c1ccc(F)cc1Br ZINC000400162978 563534408 /nfs/dbraw/zinc/53/44/08/563534408.db2.gz HJWNFAVKKVZESE-ZYHUDNBSSA-N 1 0 379.295 2.663 20 0 GFADRO CCC(C)(C)[NH2+][C@@H](C)C(=O)NC[C@H](CO)Cc1cccc(Br)c1 ZINC000430153398 563536435 /nfs/dbraw/zinc/53/64/35/563536435.db2.gz VLBXTQHMEKJZGQ-DZGCQCFKSA-N 1 0 385.346 2.883 20 0 GFADRO C[C@@H]1CCCN(C(=O)c2csc(I)c2)[C@@H]1CC[NH3+] ZINC000404359235 563537223 /nfs/dbraw/zinc/53/72/23/563537223.db2.gz NDXWKMIBQZAOJK-MWLCHTKSSA-N 1 0 378.279 2.942 20 0 GFADRO CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](CO)Cc1ccc(Br)cc1 ZINC000430160953 563537472 /nfs/dbraw/zinc/53/74/72/563537472.db2.gz CPSPFKDIHARMIJ-WBVHZDCISA-N 1 0 383.330 2.591 20 0 GFADRO Cc1sc(Br)cc1S(=O)(=O)N1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000405285333 563538632 /nfs/dbraw/zinc/53/86/32/563538632.db2.gz VPDOYEAOECHZQG-ONGXEEELSA-N 1 0 381.361 2.957 20 0 GFADRO CCCS(=O)(=O)Nc1cc(NC(=O)C2(C[NH3+])CCCC2)c(F)cc1F ZINC000430221597 563538960 /nfs/dbraw/zinc/53/89/60/563538960.db2.gz CHLCEYJNDJTVMY-UHFFFAOYSA-N 1 0 375.441 2.574 20 0 GFADRO CO[C@@]1(C[NH2+]Cc2cc(Cl)ccc2I)CCOC1 ZINC000405780194 563539855 /nfs/dbraw/zinc/53/98/55/563539855.db2.gz MDZJEVMVYYWDOG-CYBMUJFWSA-N 1 0 381.641 2.840 20 0 GFADRO CCOc1nc(C(F)(F)F)ccc1C(=O)N1C[C@@H](SC)[C@H]([NH+](C)C)C1 ZINC000430268802 563540033 /nfs/dbraw/zinc/54/00/33/563540033.db2.gz ODBQOXCAFIBYGY-VXGBXAGGSA-N 1 0 377.432 2.617 20 0 GFADRO CC(=O)c1cc(Br)ccc1OCC(=O)N[C@H](C)C1=CC[N@H+](C)CC1 ZINC000285871589 563540529 /nfs/dbraw/zinc/54/05/29/563540529.db2.gz RRLIDPUJSUXTKL-GFCCVEGCSA-N 1 0 395.297 2.797 20 0 GFADRO CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@H](C)c2cc(C(=O)OC)cs2)c1 ZINC000285933358 563542421 /nfs/dbraw/zinc/54/24/21/563542421.db2.gz FHUHVXFPELYKGD-NWDGAFQWSA-N 1 0 382.507 2.855 20 0 GFADRO COC(=O)c1csc([C@@H](C)[NH2+]C2CCN(S(=O)(=O)CC(C)C)CC2)c1 ZINC000285948138 563543158 /nfs/dbraw/zinc/54/31/58/563543158.db2.gz DUFVKAMGAZIJQP-CYBMUJFWSA-N 1 0 388.555 2.636 20 0 GFADRO C[C@H](C(=O)Nc1ccc(Br)cc1)N1CCC(OCCC[NH3+])CC1 ZINC000430546556 563545349 /nfs/dbraw/zinc/54/53/49/563545349.db2.gz CZZJBLPFKDESPF-CYBMUJFWSA-N 1 0 384.318 2.606 20 0 GFADRO [NH3+]C[C@H]1CCCN1CC(=O)Nc1ccc(Br)c(C(F)(F)F)c1 ZINC000430594345 563546182 /nfs/dbraw/zinc/54/61/82/563546182.db2.gz VKOJKJLBFYBMEG-SNVBAGLBSA-N 1 0 380.208 2.830 20 0 GFADRO C[NH2+]C[C@H]1CCCN(CC(=O)Nc2c(F)cc(F)cc2Br)C1 ZINC000430642777 563546838 /nfs/dbraw/zinc/54/68/38/563546838.db2.gz KWCGULLFBNMUGB-SNVBAGLBSA-N 1 0 376.245 2.597 20 0 GFADRO OC[C@@H](Cc1ccc(F)cc1)[NH2+]Cc1ncc(I)s1 ZINC000286059458 563547105 /nfs/dbraw/zinc/54/71/05/563547105.db2.gz RKSXEGRIENFDDD-LLVKDONJSA-N 1 0 392.237 2.580 20 0 GFADRO C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)c1nn(-c2ccc(F)cc2)cc1Br ZINC000286065109 563547195 /nfs/dbraw/zinc/54/71/95/563547195.db2.gz LZALXPSRGJHSRD-HFAKWTLXSA-N 1 0 395.276 2.890 20 0 GFADRO Cc1csc(-c2cccc(S(=O)(=O)N3CCC4(CC[NH2+]C4)CC3)c2)n1 ZINC000431015478 563551494 /nfs/dbraw/zinc/55/14/94/563551494.db2.gz PDLOZYJYLYGNCH-UHFFFAOYSA-N 1 0 377.535 2.883 20 0 GFADRO C[C@@H]1C[C@H](N(C)C(=O)c2cnc3ccc(Br)cc3c2O)CC[N@@H+]1C ZINC000408438905 563556043 /nfs/dbraw/zinc/55/60/43/563556043.db2.gz LXZFGFCCTBUPHK-DGCLKSJQSA-N 1 0 392.297 2.845 20 0 GFADRO C[C@@](CO)([NH2+]CC(=O)NCc1cccs1)c1ccc(Br)cc1 ZINC000286392636 563558602 /nfs/dbraw/zinc/55/86/02/563558602.db2.gz HBFABWDDCMLSBC-INIZCTEOSA-N 1 0 383.311 2.624 20 0 GFADRO CN(C(=O)NC[C@]1(C)CCC[NH2+]C1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000331728005 563559790 /nfs/dbraw/zinc/55/97/90/563559790.db2.gz ZEHJIUOGKQWDDI-XYJFISCASA-N 1 0 386.323 2.983 20 0 GFADRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)Cn2cc(Br)cn2)C1 ZINC000409453362 563561153 /nfs/dbraw/zinc/56/11/53/563561153.db2.gz NXTKEPALYGCHSO-CZUORRHYSA-N 1 0 377.286 2.597 20 0 GFADRO O=C(Nc1ccc(Cl)cc1Cl)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000331783504 563561989 /nfs/dbraw/zinc/56/19/89/563561989.db2.gz IIRFKBOEVSWQJY-GFCCVEGCSA-N 1 0 385.295 2.669 20 0 GFADRO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N(Cc1cccs1)Cc1cccs1 ZINC000286487270 563562301 /nfs/dbraw/zinc/56/23/01/563562301.db2.gz METFRDVNSPXGKV-AWEZNQCLSA-N 1 0 379.551 2.795 20 0 GFADRO C[C@H]1[C@H](c2ccc(Br)cc2)OCCN1C(=O)NC1CC[NH2+]CC1 ZINC000331835859 563564297 /nfs/dbraw/zinc/56/42/97/563564297.db2.gz KBHRALXUCLHOEW-BLLLJJGKSA-N 1 0 382.302 2.673 20 0 GFADRO Cc1nn(-c2ccc(C(=O)N3C[C@H](C)[C@H]([NH3+])C3)cc2)c(C)c1Br ZINC000331900315 563566272 /nfs/dbraw/zinc/56/62/72/563566272.db2.gz ITFBONQOVODUHP-ZUZCIYMTSA-N 1 0 377.286 2.671 20 0 GFADRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1S(=O)(=O)c1sccc1Br ZINC000286618759 563568113 /nfs/dbraw/zinc/56/81/13/563568113.db2.gz HWOKYWCFJUQJHY-PWSUYJOCSA-N 1 0 379.345 2.758 20 0 GFADRO Cc1c(Br)cccc1C[NH2+][C@@H]1CC(=O)N(C)[C@H]1c1ccnn1C ZINC000331970125 563568826 /nfs/dbraw/zinc/56/88/26/563568826.db2.gz JDSFMDGAPOFPCG-RHSMWYFYSA-N 1 0 377.286 2.553 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)NCCC[NH+]2CCCCC2)c(Br)c1 ZINC000431872303 563570505 /nfs/dbraw/zinc/57/05/05/563570505.db2.gz YSDQCEIKAKWWHM-UHFFFAOYSA-N 1 0 396.329 2.997 20 0 GFADRO COC(=O)c1ccc(S(=O)(=O)NCC2CC[NH+](CCC(C)C)CC2)s1 ZINC000431894011 563570843 /nfs/dbraw/zinc/57/08/43/563570843.db2.gz LTDVAYSZCOJXSP-UHFFFAOYSA-N 1 0 388.555 2.571 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)N[C@H]2COc3cc(F)c(Br)cc32)CC[N@@H+]1C ZINC000332077442 563574948 /nfs/dbraw/zinc/57/49/48/563574948.db2.gz XOTLYYJHTPIAOB-RULNRJAQSA-N 1 0 386.265 2.804 20 0 GFADRO Cc1cc(CNC(=O)[C@H]2CCC[N@@H+]2C2CC2)ccc1I ZINC000410036161 563579112 /nfs/dbraw/zinc/57/91/12/563579112.db2.gz FULYGNSKVSMLEP-OAHLLOKOSA-N 1 0 384.261 2.843 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N2CCc3cc(Cl)c(Cl)cc3[C@@H]2C)C1 ZINC000332146219 563579635 /nfs/dbraw/zinc/57/96/35/563579635.db2.gz KPHCONXRSAOJHP-GMXVVIOVSA-N 1 0 384.307 2.635 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH2+][C@H]1CC(=O)N(C)C1 ZINC000332165422 563580649 /nfs/dbraw/zinc/58/06/49/563580649.db2.gz JYPAJOLOEHXHSQ-AWEZNQCLSA-N 1 0 377.286 2.572 20 0 GFADRO Cc1cc(S(=O)(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)c(Cl)cc1F ZINC000432330485 563581335 /nfs/dbraw/zinc/58/13/35/563581335.db2.gz BINXGTIZZAOLCB-CYBMUJFWSA-N 1 0 378.897 2.567 20 0 GFADRO C[C@H]1C[N@H+](CCCNCc2cc3c(c(Br)c2)OCO3)CCCO1 ZINC000432370923 563582991 /nfs/dbraw/zinc/58/29/91/563582991.db2.gz WMROSSJXMWIDGO-ZDUSSCGKSA-N 1 0 385.302 2.768 20 0 GFADRO C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@H]2CCc3cc(Br)ccc32)C[C@H]1C ZINC000332225916 563585177 /nfs/dbraw/zinc/58/51/77/563585177.db2.gz BUNDLGGDKOGMLQ-IGCXYCKISA-N 1 0 396.329 2.533 20 0 GFADRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)c1cc(I)ccc1Cl ZINC000432512685 563586236 /nfs/dbraw/zinc/58/62/36/563586236.db2.gz XPCMJIYFKZIVAC-PELKAZGASA-N 1 0 378.641 2.672 20 0 GFADRO COC(=O)c1cc(Br)cc(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)c1 ZINC000332253094 563587789 /nfs/dbraw/zinc/58/77/89/563587789.db2.gz BZPKVRRASQJUBJ-CABCVRRESA-N 1 0 381.270 2.592 20 0 GFADRO C[NH+](C)[C@@H]1CCCN(S(=O)(=O)c2c(F)cccc2OC(F)(F)F)CC1 ZINC000287279765 563594973 /nfs/dbraw/zinc/59/49/73/563594973.db2.gz IQWBFERJTHAQIA-LLVKDONJSA-N 1 0 384.395 2.829 20 0 GFADRO [NH3+]C1(CN[C@H]2CCS(=O)(=O)c3ccc(Br)cc32)CCCCC1 ZINC000332390778 563596826 /nfs/dbraw/zinc/59/68/26/563596826.db2.gz VLUDPEWKDBUYTJ-AWEZNQCLSA-N 1 0 387.343 2.919 20 0 GFADRO CCn1cc(Br)cc1C(=O)N1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000332412084 563597704 /nfs/dbraw/zinc/59/77/04/563597704.db2.gz IIFZLHYTWAXLSD-GOEBONIOSA-N 1 0 384.318 2.629 20 0 GFADRO COC[C@H]([NH2+][C@@H](C)CC(=O)Nc1cccc(Br)c1)[C@@H]1CCCO1 ZINC000432998617 563599455 /nfs/dbraw/zinc/59/94/55/563599455.db2.gz QXFTYMVMSZPMFV-RCBQFDQVSA-N 1 0 385.302 2.950 20 0 GFADRO C[C@@H]1c2cc(Cl)c(Cl)cc2CCN1C(=O)C(=O)NC1CCC([NH3+])CC1 ZINC000332495113 563601855 /nfs/dbraw/zinc/60/18/55/563601855.db2.gz PUCPDZRXQDFNJJ-QFWMXSHPSA-N 1 0 384.307 2.825 20 0 GFADRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)N(C)Cc2cc(Cl)cc(Cl)c2)C1 ZINC000411028957 563602255 /nfs/dbraw/zinc/60/22/55/563602255.db2.gz PPQQTIPKAMBCEV-MRXNPFEDSA-N 1 0 386.323 2.893 20 0 GFADRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000332557367 563604004 /nfs/dbraw/zinc/60/40/04/563604004.db2.gz SKWGENIPKGZZOF-WFASDCNBSA-N 1 0 386.327 2.738 20 0 GFADRO C[C@H]1C[C@@H](NC(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)CC[N@@H+]1C ZINC000332550351 563604158 /nfs/dbraw/zinc/60/41/58/563604158.db2.gz PFAIPPRDQPZOOY-JSGCOSHPSA-N 1 0 386.327 2.703 20 0 GFADRO Cc1cc(I)ccc1NC(=O)C[NH2+][C@@H]1CCOC[C@H]1C ZINC000433176990 563604933 /nfs/dbraw/zinc/60/49/33/563604933.db2.gz PISHZCXVKQQZAD-DGCLKSJQSA-N 1 0 388.249 2.553 20 0 GFADRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)Cc2cc[nH]c(=O)c2Br)C1 ZINC000332586253 563605496 /nfs/dbraw/zinc/60/54/96/563605496.db2.gz CAABUQZWQMDJIP-STQMWFEESA-N 1 0 384.318 2.576 20 0 GFADRO O[C@H](COCC(F)(F)F)C[NH+]1CCN(c2cccc(Br)c2)CC1 ZINC000433185770 563605541 /nfs/dbraw/zinc/60/55/41/563605541.db2.gz FYTDKWWFEMGHHE-AWEZNQCLSA-N 1 0 397.235 2.511 20 0 GFADRO OCC[N@H+](C[C@H](O)COc1cccc(C(F)(F)F)c1)[C@@H]1CCCSC1 ZINC000433183647 563606021 /nfs/dbraw/zinc/60/60/21/563606021.db2.gz UOUZMLKHMOKJCF-CABCVRRESA-N 1 0 379.444 2.635 20 0 GFADRO CO[C@@H]1CCN(Cc2ccc(Br)cc2C[N@@H+]2CC[C@@H](OC)C2)C1 ZINC000433244585 563607219 /nfs/dbraw/zinc/60/72/19/563607219.db2.gz YWTBUMCNJQXINO-QZTJIDSGSA-N 1 0 383.330 2.891 20 0 GFADRO Cc1cc(NC(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)cc(F)c1Br ZINC000411149784 563607732 /nfs/dbraw/zinc/60/77/32/563607732.db2.gz XCUCTMPEGYHEGL-AAEUAGOBSA-N 1 0 398.276 2.578 20 0 GFADRO C[C@H](C(=O)NC[C@H]1CCCO1)[N@@H+]1CC[C@H](Cc2ccc(Br)cc2)C1 ZINC000433292747 563608248 /nfs/dbraw/zinc/60/82/48/563608248.db2.gz ACXHZOVMAOSHPU-QGPMSJSTSA-N 1 0 395.341 2.997 20 0 GFADRO CSc1ccc(OC[C@H](O)C[N@@H+]2CCCN(c3nccs3)CC2)cc1 ZINC000411180124 563608388 /nfs/dbraw/zinc/60/83/88/563608388.db2.gz BJDNCWQWBVJYOM-OAHLLOKOSA-N 1 0 379.551 2.817 20 0 GFADRO C[C@H]1CN(C(=O)Nc2nnc(-c3cccc(Br)c3)s2)CC[C@H]1[NH3+] ZINC000332673807 563610812 /nfs/dbraw/zinc/61/08/12/563610812.db2.gz QAGMLSYCHXHPBY-JOYOIKCWSA-N 1 0 396.314 3.169 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)N[C@H]2CCN(c3ccc(Br)cc3)C2)C1 ZINC000332673957 563611137 /nfs/dbraw/zinc/61/11/37/563611137.db2.gz QCZLHLCABWVJQW-LZWOXQAQSA-N 1 0 395.345 2.797 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000332688879 563611571 /nfs/dbraw/zinc/61/15/71/563611571.db2.gz QLUXOMISMGCKLU-LXZKKBNFSA-N 1 0 395.345 2.939 20 0 GFADRO CSc1cc(NC(=O)C(=O)NC[C@]2([NH+](C)C)CCSC2)ccc1Cl ZINC000411271771 563612787 /nfs/dbraw/zinc/61/27/87/563612787.db2.gz FPCQIFOOHRAGON-MRXNPFEDSA-N 1 0 387.958 2.554 20 0 GFADRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N[C@H]1COc2cc(F)c(Br)cc21 ZINC000332732108 563613046 /nfs/dbraw/zinc/61/30/46/563613046.db2.gz MSQRCCSTOJIOEI-ZWZTZDBGSA-N 1 0 398.276 2.804 20 0 GFADRO CNc1cc(I)ccc1C(=O)NCCC[N@H+](C)C(C)C ZINC000411384578 563617342 /nfs/dbraw/zinc/61/73/42/563617342.db2.gz HPLYDZHFCPAJMA-UHFFFAOYSA-N 1 0 389.281 2.793 20 0 GFADRO C[N@@H+]1CC[C@H]2CCN(C(=O)Nc3ccc4nccnc4c3Br)[C@@H]2C1 ZINC000287796664 563618173 /nfs/dbraw/zinc/61/81/73/563618173.db2.gz TUZCFTBEXMOHLX-SMDDNHRTSA-N 1 0 390.285 2.950 20 0 GFADRO COC[C@](C)(CC(=O)OC)[NH2+]CCC(=O)Nc1c(Cl)cccc1Cl ZINC000411397260 563618290 /nfs/dbraw/zinc/61/82/90/563618290.db2.gz ZCNJVRCVWPLVOY-INIZCTEOSA-N 1 0 377.268 2.880 20 0 GFADRO C[C@H](C1CC[NH+](C)CC1)N(C)S(=O)(=O)Cc1cccc(Br)c1 ZINC000287900728 563621940 /nfs/dbraw/zinc/62/19/40/563621940.db2.gz SFTUAMAPOKHRIS-CYBMUJFWSA-N 1 0 389.359 2.941 20 0 GFADRO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)Nc1cc(Br)ccc1N1CCOCC1 ZINC000333174818 563623490 /nfs/dbraw/zinc/62/34/90/563623490.db2.gz QQKVROJFDGKGCR-GXTWGEPZSA-N 1 0 397.317 2.548 20 0 GFADRO C[C@@H](O)C[N@@H+]1CCN(Cc2c(F)c(F)c(Br)c(F)c2F)[C@@H](C)C1 ZINC000411576710 563624554 /nfs/dbraw/zinc/62/45/54/563624554.db2.gz XZZYAMAOAUIJAF-DTWKUNHWSA-N 1 0 399.226 2.892 20 0 GFADRO O=C(Nc1cc(Br)ccc1-n1cccn1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000333226181 563624802 /nfs/dbraw/zinc/62/48/02/563624802.db2.gz XKXSRUNWIBUPIH-QGZVFWFLSA-N 1 0 390.285 2.852 20 0 GFADRO [NH3+][C@H]1CCCO[C@H]1C1CCN(C(=O)Nc2cc(Br)ccn2)CC1 ZINC000333249584 563625684 /nfs/dbraw/zinc/62/56/84/563625684.db2.gz CFSVIVNQIKDLNR-ZFWWWQNUSA-N 1 0 383.290 2.594 20 0 GFADRO COc1cc(Br)ccc1C(=O)N1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000333253733 563626242 /nfs/dbraw/zinc/62/62/42/563626242.db2.gz HIIHPFXXSVJDJB-NVXWUHKLSA-N 1 0 397.313 2.816 20 0 GFADRO [NH3+][C@H]1CCCO[C@H]1C1CCN(C(=O)Cc2ccccc2Br)CC1 ZINC000333260037 563626249 /nfs/dbraw/zinc/62/62/49/563626249.db2.gz ISFFKDGEERNYEN-WMZOPIPTSA-N 1 0 381.314 2.737 20 0 GFADRO [NH3+][C@H]1CCO[C@H](C2CCN(C(=O)c3cc(Br)ccc3F)CC2)C1 ZINC000333286161 563626663 /nfs/dbraw/zinc/62/66/63/563626663.db2.gz NIBOGDHDGBMTNX-BBRMVZONSA-N 1 0 385.277 2.947 20 0 GFADRO CC[N@H+](CCCOc1c(Br)cccc1Br)CC(N)=O ZINC000411625894 563627082 /nfs/dbraw/zinc/62/70/82/563627082.db2.gz XVRUKCYNLGMHGQ-UHFFFAOYSA-N 1 0 394.107 2.788 20 0 GFADRO CS[C@@H]1CN(S(=O)(=O)c2c[nH]c3cccc(F)c32)C[C@@H]1[NH+]1CCCC1 ZINC000333318949 563628094 /nfs/dbraw/zinc/62/80/94/563628094.db2.gz KUPIQDMMNWLKSZ-LSDHHAIUSA-N 1 0 383.514 2.507 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)C(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000411671018 563629072 /nfs/dbraw/zinc/62/90/72/563629072.db2.gz LNXHBYRWRWHEIT-CYBMUJFWSA-N 1 0 382.302 2.544 20 0 GFADRO Cc1ccc(SCC(F)(F)F)c(NC(=O)C(=O)N[C@@H](C)C[NH+](C)C)c1 ZINC000288143387 563630733 /nfs/dbraw/zinc/63/07/33/563630733.db2.gz LQVPZIIKWWRWPM-NSHDSACASA-N 1 0 377.432 2.654 20 0 GFADRO CCOC(=O)CNC(=O)C1CC[NH+](CCc2cccc(Cl)c2Cl)CC1 ZINC000434487967 563631471 /nfs/dbraw/zinc/63/14/71/563631471.db2.gz ZBJTXZZFTSRQSO-UHFFFAOYSA-N 1 0 387.307 2.927 20 0 GFADRO O=C(NC[C@H]1CCCC[N@@H+]1C1CC1)C(=O)Nc1c(F)cccc1Br ZINC000434562499 563632482 /nfs/dbraw/zinc/63/24/82/563632482.db2.gz WIQYGAQVUPYHGK-GFCCVEGCSA-N 1 0 398.276 2.660 20 0 GFADRO C[C@@H]([NH2+][C@H]1CCCCNC1=O)c1ccc(Br)cc1OCCCO ZINC000411747214 563632837 /nfs/dbraw/zinc/63/28/37/563632837.db2.gz VPUBVUSBHUQWHJ-DOMZBBRYSA-N 1 0 385.302 2.530 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1)C(=O)NCC(F)(F)F ZINC000411749585 563633015 /nfs/dbraw/zinc/63/30/15/563633015.db2.gz OYNLRRFDGCVRRT-FZZIBODNSA-N 1 0 381.801 2.881 20 0 GFADRO O=C(N[C@H](c1cncc(Br)c1)C1CC1)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000333472172 563633323 /nfs/dbraw/zinc/63/33/23/563633323.db2.gz ALEQDEYTAMMKJP-NOLJZWGESA-N 1 0 379.302 2.546 20 0 GFADRO O=C(N[C@H](c1cncc(Br)c1)C1CC1)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000333472171 563633349 /nfs/dbraw/zinc/63/33/49/563633349.db2.gz ALEQDEYTAMMKJP-INWMFGNUSA-N 1 0 379.302 2.546 20 0 GFADRO CCc1nc(C(=O)N2CC[NH2+][C@H](C)[C@H]2C)nn1-c1c(Cl)cccc1Cl ZINC000434702195 563635074 /nfs/dbraw/zinc/63/50/74/563635074.db2.gz BQLAUSJYXZVRAM-GHMZBOCLSA-N 1 0 382.295 2.959 20 0 GFADRO COc1ccc(Br)cc1C(=O)CCC(=O)N[C@H]1CCC[NH2+][C@@H]1C ZINC000434711946 563636425 /nfs/dbraw/zinc/63/64/25/563636425.db2.gz SVVFVOLJYUXHFU-RISCZKNCSA-N 1 0 383.286 2.677 20 0 GFADRO C[C@@H](C(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+])c1ccc(Cl)c(Cl)c1 ZINC000434711624 563636503 /nfs/dbraw/zinc/63/65/03/563636503.db2.gz QGOPITIMNBVREG-OCCSQVGLSA-N 1 0 386.323 2.943 20 0 GFADRO Cn1cc([C@@H]2CN(C(=O)N[C@@H]3CCCc4sc(Cl)cc43)C[C@H]2[NH3+])cn1 ZINC000333625932 563637270 /nfs/dbraw/zinc/63/72/70/563637270.db2.gz UZNBRSYYYDGSBF-BFHYXJOUSA-N 1 0 379.917 2.649 20 0 GFADRO [NH3+][C@H]1CCCO[C@@H]1C1CCN(S(=O)(=O)c2cc(Cl)sc2Cl)CC1 ZINC000333633647 563637385 /nfs/dbraw/zinc/63/73/85/563637385.db2.gz HBHZAFVMCSBUJX-GXFFZTMASA-N 1 0 399.365 2.962 20 0 GFADRO O=C(NCc1cc2cc(Br)ccc2[nH]1)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000333652969 563638088 /nfs/dbraw/zinc/63/80/88/563638088.db2.gz WBCAPRYRGBKNIX-WCQYABFASA-N 1 0 377.286 2.681 20 0 GFADRO COC[C@H]([NH2+]CCS(=O)(=O)c1cc(Cl)ccc1Cl)[C@H]1CCCO1 ZINC000434781665 563638610 /nfs/dbraw/zinc/63/86/10/563638610.db2.gz AMXSCOFLUCNSJE-UONOGXRCSA-N 1 0 382.309 2.551 20 0 GFADRO C[C@H](NC(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1)c1ccc(Br)cn1 ZINC000333664119 563638711 /nfs/dbraw/zinc/63/87/11/563638711.db2.gz XKCLUNIJLRIXJP-IHRRRGAJSA-N 1 0 381.318 2.936 20 0 GFADRO O=C(NCc1cc(F)c(F)cc1Br)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000333679908 563639376 /nfs/dbraw/zinc/63/93/76/563639376.db2.gz ZOBGCEXFJWUVAN-CKYFFXLPSA-N 1 0 388.256 2.915 20 0 GFADRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NCc1cc(F)c(Cl)cc1F ZINC000434865029 563640067 /nfs/dbraw/zinc/64/00/67/563640067.db2.gz NDZPBTGGXXSGIG-LLVKDONJSA-N 1 0 375.847 2.605 20 0 GFADRO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(C(=O)c2ccc(F)cc2Br)CC1 ZINC000333764598 563641199 /nfs/dbraw/zinc/64/11/99/563641199.db2.gz AZERXXAPVWUAHL-HZPDHXFCSA-N 1 0 385.277 2.947 20 0 GFADRO COC[C@@H]1C[C@H](O)C[N@@H+]1CC(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000411914098 563641297 /nfs/dbraw/zinc/64/12/97/563641297.db2.gz SKGRZRLCDLYYCB-GRDNDAEWSA-N 1 0 387.307 2.739 20 0 GFADRO C[C@H]1C[C@@H](NC(=O)c2cc(I)c(F)cc2F)CC[N@@H+]1C ZINC000435072687 563642271 /nfs/dbraw/zinc/64/22/71/563642271.db2.gz HXKCXLHTFOENKS-IUCAKERBSA-N 1 0 394.203 2.782 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)c2cc(I)c(F)cc2F)CC[N@@H+]1C ZINC000435072688 563642320 /nfs/dbraw/zinc/64/23/20/563642320.db2.gz HXKCXLHTFOENKS-RKDXNWHRSA-N 1 0 394.203 2.782 20 0 GFADRO [NH3+][C@@H]1CCCO[C@H]1C1CCN(C(=O)c2cc(Br)ccc2F)CC1 ZINC000333844725 563643231 /nfs/dbraw/zinc/64/32/31/563643231.db2.gz OYGZLSYNLUJCIA-CVEARBPZSA-N 1 0 385.277 2.947 20 0 GFADRO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[NH2+]C(C)(C)CN1CCOCC1 ZINC000412008016 563644722 /nfs/dbraw/zinc/64/47/22/563644722.db2.gz YAVFRYVFTSJOHS-UHFFFAOYSA-N 1 0 388.339 2.652 20 0 GFADRO C[NH+](C)C[C@H]1CCCN1S(=O)(=O)c1cc(Br)ccc1Cl ZINC000435216044 563645182 /nfs/dbraw/zinc/64/51/82/563645182.db2.gz INTACQGOIAMEMZ-LLVKDONJSA-N 1 0 381.723 2.817 20 0 GFADRO C[C@@H](CNS(=O)(=O)c1cc(F)ccc1Br)[N@@H+]1CCC[C@@H](C)C1 ZINC000435214361 563645482 /nfs/dbraw/zinc/64/54/82/563645482.db2.gz DYLZQZBNWKQMDP-NEPJUHHUSA-N 1 0 393.322 2.987 20 0 GFADRO Cc1c(C(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)cnn1-c1ccc(Br)cc1 ZINC000435232741 563646351 /nfs/dbraw/zinc/64/63/51/563646351.db2.gz OKROOJBJYXRHRF-MRXNPFEDSA-N 1 0 389.297 2.910 20 0 GFADRO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(C(=O)NCc2ccccc2Br)CC1 ZINC000333941243 563646463 /nfs/dbraw/zinc/64/64/63/563646463.db2.gz OVPCSSUZUNRKLD-IAGOWNOFSA-N 1 0 396.329 2.877 20 0 GFADRO O=C(N[C@@H]1CCOc2ccc(Br)cc21)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000333948624 563646516 /nfs/dbraw/zinc/64/65/16/563646516.db2.gz WMDXTLFINCJCKR-RHSMWYFYSA-N 1 0 380.286 2.668 20 0 GFADRO O=C([C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000435244397 563646540 /nfs/dbraw/zinc/64/65/40/563646540.db2.gz DMWRBTYJKBHHTR-UONOGXRCSA-N 1 0 382.291 2.699 20 0 GFADRO CC(C)[N@H+](C[C@H](O)COc1cc(Cl)ccc1Cl)C[C@@H]1CCC(=O)N1 ZINC000412089529 563647351 /nfs/dbraw/zinc/64/73/51/563647351.db2.gz SXAYJRIUPAXWCF-KBPBESRZSA-N 1 0 375.296 2.722 20 0 GFADRO CC(C)[N@@H+](CC(=O)N(C)Cc1ccc(Cl)c(Cl)c1)C[C@@H]1CCC(=O)N1 ZINC000412092137 563647861 /nfs/dbraw/zinc/64/78/61/563647861.db2.gz VJLLROGYPGKEQQ-AWEZNQCLSA-N 1 0 386.323 2.941 20 0 GFADRO COC(=O)[C@]1(C)CCC[N@H+](CC(=O)N(C)Cc2ccccc2Br)C1 ZINC000412099924 563648365 /nfs/dbraw/zinc/64/83/65/563648365.db2.gz HYNUHMWQOYSBIL-GOSISDBHSA-N 1 0 397.313 2.683 20 0 GFADRO C[C@H]1CS(=O)(=O)C[C@H]1NCc1cc(Cl)ccc1OCc1cccnc1 ZINC000288580230 563648824 /nfs/dbraw/zinc/64/88/24/563648824.db2.gz NSZHMFOBEXNPCJ-SUMWQHHRSA-N 1 0 380.897 2.837 20 0 GFADRO C[NH+](C)CCCOc1cnccc1CNC(=O)c1coc(Br)c1 ZINC000288634326 563650577 /nfs/dbraw/zinc/65/05/77/563650577.db2.gz BNTCENGLARJHRA-UHFFFAOYSA-N 1 0 382.258 2.698 20 0 GFADRO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)C(=O)Nc1cc(C)ns1 ZINC000288621589 563650674 /nfs/dbraw/zinc/65/06/74/563650674.db2.gz DKKKLORMXMYANT-UHFFFAOYSA-N 1 0 380.436 2.513 20 0 GFADRO Cn1ccnc1CN(Cc1ncc(Br)s1)[C@H]1CC12CC[NH2+]CC2 ZINC000435436319 563650961 /nfs/dbraw/zinc/65/09/61/563650961.db2.gz FGBKYYGJTVRXOD-LBPRGKRZSA-N 1 0 396.358 2.783 20 0 GFADRO CCN(CC(=O)N(C)Cc1cc(Br)cs1)[C@H]1CCC[NH2+]CC1 ZINC000435622438 563654907 /nfs/dbraw/zinc/65/49/07/563654907.db2.gz DDTAVWHXSSUGHX-AWEZNQCLSA-N 1 0 388.375 2.933 20 0 GFADRO O=C(NCc1cc(Br)ccn1)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000412359787 563655240 /nfs/dbraw/zinc/65/52/40/563655240.db2.gz IJJFCFPKJWKIDJ-OAHLLOKOSA-N 1 0 384.343 2.678 20 0 GFADRO CCC[N@H+](CC)CCNC(=O)C(=O)Nc1nc(-c2ccc(C)s2)cs1 ZINC000288808660 563658395 /nfs/dbraw/zinc/65/83/95/563658395.db2.gz NOXUMCWDKBZRIT-UHFFFAOYSA-N 1 0 380.539 2.967 20 0 GFADRO O=C(c1cc(F)ccc1I)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000289160226 563670302 /nfs/dbraw/zinc/67/03/02/563670302.db2.gz GYPRSJUCJFLXCH-OAHLLOKOSA-N 1 0 388.224 2.646 20 0 GFADRO Cc1cc(Br)ccc1C[N@@H+]1CCC[C@@H]1C[C@@]1(C)NC(=O)NC1=O ZINC000289228621 563672315 /nfs/dbraw/zinc/67/23/15/563672315.db2.gz CVFVZXUZPGPEPS-RHSMWYFYSA-N 1 0 380.286 2.710 20 0 GFADRO O=S(=O)(Cc1cccc(Cl)c1)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000289258703 563672938 /nfs/dbraw/zinc/67/29/38/563672938.db2.gz UZMXTMBDCUKWBI-ROUUACIJSA-N 1 0 386.945 2.527 20 0 GFADRO O=S(=O)(Cc1cccc(Cl)c1)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000289258696 563673038 /nfs/dbraw/zinc/67/30/38/563673038.db2.gz UZMXTMBDCUKWBI-QZTJIDSGSA-N 1 0 386.945 2.527 20 0 GFADRO COC(=O)[C@@H]1CN(C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)CC[N@H+](C)C1 ZINC000413049966 563680544 /nfs/dbraw/zinc/68/05/44/563680544.db2.gz UEQZEQCPCNLHFJ-NEPJUHHUSA-N 1 0 388.295 2.801 20 0 GFADRO Cc1cnc(NC(=O)[C@@H]2CSCN2C(=O)[C@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)s1 ZINC000413335176 563689279 /nfs/dbraw/zinc/68/92/79/563689279.db2.gz IPGIVRQUZNADKN-XCCSTKFXSA-N 1 0 382.555 2.553 20 0 GFADRO O=C(c1ccc(I)cc1Cl)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000289932460 563691523 /nfs/dbraw/zinc/69/15/23/563691523.db2.gz VSTGGRPUESLNPS-VHSXEESVSA-N 1 0 390.652 2.626 20 0 GFADRO C[NH+](C)CCN(Cc1cccs1)S(=O)(=O)N1CC[C@@H]2CCCC[C@H]2C1 ZINC000437291040 563692551 /nfs/dbraw/zinc/69/25/51/563692551.db2.gz VRHIXSGNYUMKJA-IRXDYDNUSA-N 1 0 385.599 2.869 20 0 GFADRO CC[C@@H](CCc1ccc(Br)cc1)[NH2+]CCCn1cc(CO)nn1 ZINC000290002401 563694673 /nfs/dbraw/zinc/69/46/73/563694673.db2.gz ZFGOUZAGLBFDDY-INIZCTEOSA-N 1 0 381.318 2.924 20 0 GFADRO COCC[N@H+](C)CCCNC(=O)N[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000437793147 563699501 /nfs/dbraw/zinc/69/95/01/563699501.db2.gz MXTWUZXGUZYNPK-JKSUJKDBSA-N 1 0 384.318 2.573 20 0 GFADRO CS(=O)(=O)C1(C[NH2+]Cc2cc(Br)cc(Br)c2)CC1 ZINC000290165910 563699828 /nfs/dbraw/zinc/69/98/28/563699828.db2.gz QLIMCVWPEAZKNF-UHFFFAOYSA-N 1 0 397.132 2.878 20 0 GFADRO C[C@H](NC(=O)CN1CCC[C@H](C(=O)Nc2nccs2)C1)c1cccs1 ZINC000361538895 563700017 /nfs/dbraw/zinc/70/00/17/563700017.db2.gz PYWRQZQLLUOOQH-STQMWFEESA-N 1 0 378.523 2.733 20 0 GFADRO CS[C@@H]1CN(C(=O)[C@H](C)Oc2ccc(C(F)(F)F)cc2)C[C@H]1[NH+](C)C ZINC000438130198 563702009 /nfs/dbraw/zinc/70/20/09/563702009.db2.gz LLWGEPHPUGXYDE-NILFDRSVSA-N 1 0 376.444 2.977 20 0 GFADRO Cc1cc(NC(=O)CN2CC[NH+]([C@@H]3CCSC3)CC2)ccc1Br ZINC000361944379 563702029 /nfs/dbraw/zinc/70/20/29/563702029.db2.gz PJJZICGUKMNFRE-OAHLLOKOSA-N 1 0 398.370 2.819 20 0 GFADRO COc1ccc([C@@H](C)[NH2+][C@@H]2CCN(C3CCOCC3)C2=O)cc1Br ZINC000361943530 563702291 /nfs/dbraw/zinc/70/22/91/563702291.db2.gz KPMJAXGRVJSCJE-MLGOLLRUSA-N 1 0 397.313 2.888 20 0 GFADRO Cc1ccc(Br)c(CNC(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)c1 ZINC000413734754 563703394 /nfs/dbraw/zinc/70/33/94/563703394.db2.gz FSDNKIGIJRGRJD-HNNXBMFYSA-N 1 0 396.329 2.621 20 0 GFADRO CCS(=O)(=O)NCCC[NH2+][C@@H](c1cc(Cl)ccc1Cl)[C@H]1CCOC1 ZINC000362281828 563705174 /nfs/dbraw/zinc/70/51/74/563705174.db2.gz KWDUABJJTNJAHF-BLLLJJGKSA-N 1 0 395.352 2.990 20 0 GFADRO C[C@H](C[NH2+]C1CCN(S(=O)(=O)c2cccs2)CC1)Oc1ccccc1 ZINC000362294812 563705460 /nfs/dbraw/zinc/70/54/60/563705460.db2.gz WFUVGPYKYRBAFT-OAHLLOKOSA-N 1 0 380.535 2.958 20 0 GFADRO CC(C)[C@@H]1CC[N@H+](CC(=O)Nc2ccc(Cl)c(S(=O)(=O)N(C)C)c2)C1 ZINC000438482105 563705716 /nfs/dbraw/zinc/70/57/16/563705716.db2.gz KBSDNEMBLMPLND-CYBMUJFWSA-N 1 0 387.933 2.507 20 0 GFADRO COCCN(C[C@H](C)c1cccc(Br)c1)[C@H]1CCS(=O)(=O)C1 ZINC000290358233 563706459 /nfs/dbraw/zinc/70/64/59/563706459.db2.gz GQLFSRIKSSMKCY-BBRMVZONSA-N 1 0 390.343 2.688 20 0 GFADRO C[N@@H+]1CC[C@H]2CCN(C(=O)c3ccc(I)c(F)c3)C[C@@H]21 ZINC000362474368 563707866 /nfs/dbraw/zinc/70/78/66/563707866.db2.gz RZBPQKQOQBWVEM-HZMBPMFUSA-N 1 0 388.224 2.597 20 0 GFADRO C[NH+](C)C(C)(C)CNC(=O)[C@@H]1CCCN(c2ccc(Br)cn2)C1 ZINC000363115054 563714926 /nfs/dbraw/zinc/71/49/26/563714926.db2.gz JUCVBWOMUNFYSO-CYBMUJFWSA-N 1 0 383.334 2.517 20 0 GFADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1cc2ccc(Br)cc2[nH]1 ZINC000363176053 563716609 /nfs/dbraw/zinc/71/66/09/563716609.db2.gz DXPOMRZBUVBYFW-KGLIPLIRSA-N 1 0 378.270 2.523 20 0 GFADRO CCS(=O)(=O)N1CC(C[NH2+][C@@H](C)c2ccc(OCC(F)(F)F)cc2)C1 ZINC000439148196 563718509 /nfs/dbraw/zinc/71/85/09/563718509.db2.gz WWHXASGUUJSMBD-LBPRGKRZSA-N 1 0 380.432 2.560 20 0 GFADRO CC(C)[NH+](CCNS(=O)(=O)c1ccc(F)c(Br)c1)C(C)C ZINC000439247995 563720833 /nfs/dbraw/zinc/72/08/33/563720833.db2.gz PQDWSXKLMKKYLX-UHFFFAOYSA-N 1 0 381.311 2.985 20 0 GFADRO CC[C@H](COCC(F)(F)F)[NH2+][C@@H](C)Cn1cc(Br)ccc1=O ZINC000414141347 563720889 /nfs/dbraw/zinc/72/08/89/563720889.db2.gz MEAOKUIPAYFNEJ-CMPLNLGQSA-N 1 0 385.224 2.946 20 0 GFADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]Cc1ccnc(OC(F)F)c1 ZINC000414157565 563721153 /nfs/dbraw/zinc/72/11/53/563721153.db2.gz WNNPNIDDQILGDR-SNVBAGLBSA-N 1 0 388.212 2.786 20 0 GFADRO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]Cc1ccnc(OC(F)F)c1 ZINC000414157564 563721347 /nfs/dbraw/zinc/72/13/47/563721347.db2.gz WNNPNIDDQILGDR-JTQLQIEISA-N 1 0 388.212 2.786 20 0 GFADRO COC(=O)CC1([NH2+]Cc2cc(Cl)ccc2Cl)CCS(=O)(=O)CC1 ZINC000439263037 563721687 /nfs/dbraw/zinc/72/16/87/563721687.db2.gz YFVKUMKTKNBBKV-UHFFFAOYSA-N 1 0 380.293 2.594 20 0 GFADRO CCC(=O)c1cc(Cl)cc(Cl)c1OC[C@H](O)CN1CC[NH+](C)CC1 ZINC000414173419 563721739 /nfs/dbraw/zinc/72/17/39/563721739.db2.gz ZRXLWXQQWYHJJZ-CYBMUJFWSA-N 1 0 375.296 2.573 20 0 GFADRO CCC(=O)c1cc(Cl)cc(Cl)c1OC[C@@H](O)CN1CC[NH+](C)CC1 ZINC000414173427 563721758 /nfs/dbraw/zinc/72/17/58/563721758.db2.gz ZRXLWXQQWYHJJZ-ZDUSSCGKSA-N 1 0 375.296 2.573 20 0 GFADRO C[C@@H](Cc1cnccn1)[NH2+]C[C@H](CO)Cc1cc(F)cc(Br)c1 ZINC000414172344 563721880 /nfs/dbraw/zinc/72/18/80/563721880.db2.gz DXJUFQACKBOYGP-GXTWGEPZSA-N 1 0 382.277 2.750 20 0 GFADRO C[C@@H]([NH2+]C[C@@H](O)Cn1ccnn1)c1ccc(Br)cc1C(F)(F)F ZINC000414184719 563721957 /nfs/dbraw/zinc/72/19/57/563721957.db2.gz OFBDFQKPWKYYFA-MWLCHTKSSA-N 1 0 393.207 2.771 20 0 GFADRO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+][C@H](COC)C2CCOCC2)c1 ZINC000414207583 563722570 /nfs/dbraw/zinc/72/25/70/563722570.db2.gz HNAIRIHMXXMNDB-QGZVFWFLSA-N 1 0 375.918 2.665 20 0 GFADRO C[C@H]1CC[N@H+](C)CCN1C(=O)C(=O)Nc1ccc(Br)cc1Cl ZINC000439342354 563723051 /nfs/dbraw/zinc/72/30/51/563723051.db2.gz BBIGWAGFOBTVPF-JTQLQIEISA-N 1 0 388.693 2.594 20 0 GFADRO C[C@H]1CC[N@H+](C)CCN1C(=O)C(=O)Nc1cc(Cl)cc(C(F)(F)F)c1 ZINC000439344696 563723169 /nfs/dbraw/zinc/72/31/69/563723169.db2.gz FLQYRTFTCUFWEL-JTQLQIEISA-N 1 0 377.794 2.850 20 0 GFADRO C[C@@H]1C[C@H]([N@H+](C)C[C@@H](O)COc2cc(F)cc(Br)c2)CCN1C ZINC000439438588 563724331 /nfs/dbraw/zinc/72/43/31/563724331.db2.gz KNCBMCXFJBNYQJ-DAXOMENPSA-N 1 0 389.309 2.742 20 0 GFADRO CCOC[C@@H]1CC[N@H+](C[C@@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000439435957 563724376 /nfs/dbraw/zinc/72/43/76/563724376.db2.gz FKLUPDZFYJTIHY-IUODEOHRSA-N 1 0 376.266 2.686 20 0 GFADRO CN(C)[C@H](C[NH2+]Cc1ccc(S(N)(=O)=O)c(Cl)c1)c1ccc(F)cc1 ZINC000414284908 563724664 /nfs/dbraw/zinc/72/46/64/563724664.db2.gz HJBYHSSNXXGZDH-MRXNPFEDSA-N 1 0 385.892 2.519 20 0 GFADRO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@H](CO)c1ccc(F)cc1 ZINC000414290352 563725125 /nfs/dbraw/zinc/72/51/25/563725125.db2.gz NKWGMADVRYQVJY-GXTWGEPZSA-N 1 0 383.261 2.504 20 0 GFADRO C[N@H+](CCCn1ccnc1)C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000439448902 563725211 /nfs/dbraw/zinc/72/52/11/563725211.db2.gz FUHAYLFBTWAVCN-OAHLLOKOSA-N 1 0 386.265 2.547 20 0 GFADRO CC[N@H+](C)C[C@@H]1CCN(C[C@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000439444050 563725654 /nfs/dbraw/zinc/72/56/54/563725654.db2.gz BMFLSDIYQWAJFP-BBRMVZONSA-N 1 0 389.309 2.602 20 0 GFADRO CN(CC1CC1)S(=O)(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccc(Cl)c1 ZINC000363552924 563725894 /nfs/dbraw/zinc/72/58/94/563725894.db2.gz JMWUMPFQXSBTRM-AEFFLSMTSA-N 1 0 385.961 2.899 20 0 GFADRO C[C@H](C[NH2+]Cc1ccc(S(N)(=O)=O)c(Cl)c1)COCc1ccccc1 ZINC000414325767 563725988 /nfs/dbraw/zinc/72/59/88/563725988.db2.gz XQPLCRUMGSUFCG-CQSZACIVSA-N 1 0 382.913 2.930 20 0 GFADRO COc1cc(C[NH2+]Cc2cnc(N(C)C)n2C)cc(Br)c1OC ZINC000414324560 563726297 /nfs/dbraw/zinc/72/62/97/563726297.db2.gz IUHSQZYQRYXUPI-UHFFFAOYSA-N 1 0 383.290 2.556 20 0 GFADRO O[C@H](COc1cc(F)cc(Br)c1)C[N@@H+]1CCC[C@H]2COCC[C@H]21 ZINC000439459267 563726341 /nfs/dbraw/zinc/72/63/41/563726341.db2.gz VUVIBIIVSAQLGR-YLQAJVPDSA-N 1 0 388.277 2.829 20 0 GFADRO CSCCC[N@H+](C)CC(=O)N1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000439476552 563726755 /nfs/dbraw/zinc/72/67/55/563726755.db2.gz QXMUYADYRSVPGN-UHFFFAOYSA-N 1 0 387.952 2.808 20 0 GFADRO CC(C)[C@@H](NC(=O)c1ccccc1Br)C(=O)NCC[NH2+]C(C)(C)C ZINC000439511851 563727349 /nfs/dbraw/zinc/72/73/49/563727349.db2.gz JYGSAHXMPKEKKM-OAHLLOKOSA-N 1 0 398.345 2.708 20 0 GFADRO O=S1(=O)CCCN1C1CCC([NH2+]Cc2cc(Cl)cc3c2OCC3)CC1 ZINC000363664983 563730290 /nfs/dbraw/zinc/73/02/90/563730290.db2.gz LPCNLLMJNOGQMQ-UHFFFAOYSA-N 1 0 384.929 2.711 20 0 GFADRO CN1C(=O)C[C@H]([NH2+]Cc2ccc(S(C)(=O)=O)s2)[C@@H]1c1ccc(Cl)cc1 ZINC000414372247 563730790 /nfs/dbraw/zinc/73/07/90/563730790.db2.gz ZJRVAQCSTQHVHG-YOEHRIQHSA-N 1 0 398.937 2.867 20 0 GFADRO CC[NH+](CC)CCOCCNC(=O)C(=O)Nc1cc(Cl)c(Cl)cc1F ZINC000439815795 563732141 /nfs/dbraw/zinc/73/21/41/563732141.db2.gz NJVOMDHNAQSNSU-UHFFFAOYSA-N 1 0 394.274 2.546 20 0 GFADRO O=C(N[C@H]1CCCC[C@@H]1N1CCOCC1)c1cc(F)c(Cl)nc1Cl ZINC000363761697 563732614 /nfs/dbraw/zinc/73/26/14/563732614.db2.gz FMMWEFCGAOGTAB-STQMWFEESA-N 1 0 376.259 2.901 20 0 GFADRO C[N@H+](CCc1cccc(Br)c1)C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000291145343 563732904 /nfs/dbraw/zinc/73/29/04/563732904.db2.gz DEOAFVUQOZLSKC-OAHLLOKOSA-N 1 0 389.359 2.595 20 0 GFADRO O=C1C[C@H]([C@@H]2CCCC[N@H+]2Cc2cc(Br)cc3c2OCC3)CN1 ZINC000363791698 563733238 /nfs/dbraw/zinc/73/32/38/563733238.db2.gz WAMBAVVRJSLGAA-BBRMVZONSA-N 1 0 379.298 2.875 20 0 GFADRO C[C@@H](Cn1cc(Br)cn1)[NH2+]C[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000363783256 563733316 /nfs/dbraw/zinc/73/33/16/563733316.db2.gz JUQKDWNQSIPUGS-RDJZCZTQSA-N 1 0 392.345 2.931 20 0 GFADRO Cc1cc(=O)n2nc(C[N@H+](C)CCc3cccc(Br)c3)sc2n1 ZINC000291180067 563733665 /nfs/dbraw/zinc/73/36/65/563733665.db2.gz HUKHETDFHSDSLN-UHFFFAOYSA-N 1 0 393.310 2.896 20 0 GFADRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)Nc2cc(Cl)c(Cl)cc2F)C1 ZINC000439967227 563733802 /nfs/dbraw/zinc/73/38/02/563733802.db2.gz LWLIDWVWRKNHCT-JTQLQIEISA-N 1 0 391.274 2.841 20 0 GFADRO CCC(=O)N1CC[C@H](NC(=O)C2CC[NH+](Cc3ccc(Cl)s3)CC2)C1 ZINC000363845103 563734977 /nfs/dbraw/zinc/73/49/77/563734977.db2.gz OEXRKUDQEIVHGH-AWEZNQCLSA-N 1 0 383.945 2.741 20 0 GFADRO C[C@H](NS(=O)(=O)c1cc(Br)ccc1Cl)[C@H]1CCC[NH2+]C1 ZINC000440337190 563739457 /nfs/dbraw/zinc/73/94/57/563739457.db2.gz BXTDJTXCHCSOTF-UWVGGRQHSA-N 1 0 381.723 2.769 20 0 GFADRO O=C(c1[nH]nc2c1C[NH2+]CC2)N1CCC[C@H]1c1ccc(Br)cc1 ZINC000364004184 563739787 /nfs/dbraw/zinc/73/97/87/563739787.db2.gz SHBKKCWSLZBHNK-HNNXBMFYSA-N 1 0 375.270 2.795 20 0 GFADRO CCCC[NH+]1CCC(NS(=O)(=O)c2cc(Cl)c(OC)cc2OC)CC1 ZINC000414458746 563740252 /nfs/dbraw/zinc/74/02/52/563740252.db2.gz NQZLVIOIFVQMKT-UHFFFAOYSA-N 1 0 390.933 2.900 20 0 GFADRO CSc1ccc(Cl)c(C(=O)N2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)c1 ZINC000364046992 563741684 /nfs/dbraw/zinc/74/16/84/563741684.db2.gz DTKOLNXYGPBFCB-MRXNPFEDSA-N 1 0 381.929 2.616 20 0 GFADRO [NH3+]C[C@@H]1CCCC[C@H]1NS(=O)(=O)c1cc(Br)sc1Cl ZINC000440404738 563741813 /nfs/dbraw/zinc/74/18/13/563741813.db2.gz ITZNLJHQHFEXJC-JGVFFNPUSA-N 1 0 387.752 2.960 20 0 GFADRO Cc1cc(S(=O)(=O)N2CC[C@H](OCC[NH+]3CCCCC3)C2)sc1Cl ZINC000414465636 563742024 /nfs/dbraw/zinc/74/20/24/563742024.db2.gz SHRXOEMRAKDEQV-AWEZNQCLSA-N 1 0 392.974 2.975 20 0 GFADRO CC(C)(O)C[N@@H+]1CCCN(C(=O)CCc2ccc(Br)cc2)CC1 ZINC000364067511 563742602 /nfs/dbraw/zinc/74/26/02/563742602.db2.gz GVXKERXAGSXTTN-UHFFFAOYSA-N 1 0 383.330 2.687 20 0 GFADRO C[C@H](CO)[N@@H+]1CCCN(C(=O)c2cc3cc(Br)ccc3o2)CC1 ZINC000364199754 563745942 /nfs/dbraw/zinc/74/59/42/563745942.db2.gz DODJCBRDZRKNMR-GFCCVEGCSA-N 1 0 381.270 2.724 20 0 GFADRO C[NH+]1CCC(N2CC[C@@H](NC(=O)CSCc3cccc(Cl)c3)C2)CC1 ZINC000364205255 563746168 /nfs/dbraw/zinc/74/61/68/563746168.db2.gz GMVQQNJJIZUXCK-QGZVFWFLSA-N 1 0 381.973 2.858 20 0 GFADRO O=C(N1CCC[C@@H]1c1csc([C@@H]2C[N@@H+]3CCC[C@H]3CO2)n1)C(F)(F)F ZINC000364287906 563748075 /nfs/dbraw/zinc/74/80/75/563748075.db2.gz GGCOLEQHZCZZIP-UHTWSYAYSA-N 1 0 375.416 2.905 20 0 GFADRO O=C(CC[N@@H+]1CC[C@H](NC(=O)C2CCC2)C1)Nc1cccc(Br)c1 ZINC000364288118 563748357 /nfs/dbraw/zinc/74/83/57/563748357.db2.gz RXFJOIQNSFJZRW-INIZCTEOSA-N 1 0 394.313 2.768 20 0 GFADRO Cc1csc(C(=O)N2CC[C@H]3CC[N@@H+](C)[C@@H]3C2)c1I ZINC000364310865 563749187 /nfs/dbraw/zinc/74/91/87/563749187.db2.gz UOIQGSLMDQMJBM-GHMZBOCLSA-N 1 0 390.290 2.827 20 0 GFADRO O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)Nc1ccc(Cl)c(Cl)c1 ZINC000414661785 563749354 /nfs/dbraw/zinc/74/93/54/563749354.db2.gz QDTFFNMCFIOASI-GFCCVEGCSA-N 1 0 385.217 2.951 20 0 GFADRO COCCCOc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@H](C)[C@H]1C[NH3+] ZINC000440759764 563749446 /nfs/dbraw/zinc/74/94/46/563749446.db2.gz YBFUQEIROSVYTC-DZGCQCFKSA-N 1 0 390.933 2.503 20 0 GFADRO CCC(CC)(C[NH3+])NS(=O)(=O)c1cc(Cl)ccc1O[C@H](C)COC ZINC000440753537 563749477 /nfs/dbraw/zinc/74/94/77/563749477.db2.gz ZQGMHLVPWWUUQY-GFCCVEGCSA-N 1 0 378.922 2.550 20 0 GFADRO COCCCOc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000440759774 563749626 /nfs/dbraw/zinc/74/96/26/563749626.db2.gz YBFUQEIROSVYTC-UKRRQHHQSA-N 1 0 390.933 2.503 20 0 GFADRO CCCN([C@@H]1CC[NH2+]C1)S(=O)(=O)c1cc(Cl)ccc1OCCCOC ZINC000440753218 563749669 /nfs/dbraw/zinc/74/96/69/563749669.db2.gz YPIMYGVNAUCSRI-OAHLLOKOSA-N 1 0 390.933 2.518 20 0 GFADRO C[C@@H]1CN(S(=O)(=O)c2cc(Cl)c(Br)cc2F)[C@@H](C)C[NH2+]1 ZINC000440760047 563749729 /nfs/dbraw/zinc/74/97/29/563749729.db2.gz NGYKHEQBFMZYCX-SFYZADRCSA-N 1 0 385.686 2.613 20 0 GFADRO [NH3+]C1(CNS(=O)(=O)c2ccc(Br)c(Cl)c2Cl)CCC1 ZINC000440750653 563749753 /nfs/dbraw/zinc/74/97/53/563749753.db2.gz UHRZHZONKJLWFQ-UHFFFAOYSA-N 1 0 388.114 2.916 20 0 GFADRO Cc1cc(I)ccc1NC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000414675164 563750014 /nfs/dbraw/zinc/75/00/14/563750014.db2.gz FJUZRRSKBBQKSH-VXGBXAGGSA-N 1 0 385.249 2.673 20 0 GFADRO O=C(CN1CCC[C@@H]1C[N@H+]1CCC[C@@H]1CO)Nc1cc(Cl)ccc1Cl ZINC000364354634 563750634 /nfs/dbraw/zinc/75/06/34/563750634.db2.gz AQRXUIHOZIZQGU-HUUCEWRRSA-N 1 0 386.323 2.853 20 0 GFADRO COCCCOc1ccc(Cl)cc1S(=O)(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000440835496 563750858 /nfs/dbraw/zinc/75/08/58/563750858.db2.gz DFQRNJVFPOCYDW-OAHLLOKOSA-N 1 0 390.933 2.551 20 0 GFADRO CO[C@@H]1CCN(S(=O)(=O)c2c(C)sc3ccc(Cl)cc32)[C@H](C[NH3+])C1 ZINC000440855507 563752309 /nfs/dbraw/zinc/75/23/09/563752309.db2.gz NYUQYWDCIMBPEI-QWHCGFSZSA-N 1 0 388.942 2.990 20 0 GFADRO COC(=O)c1cc(Br)cc(C(=O)N2CCC[N@@H+](C(C)C)CC2)c1 ZINC000291662630 563752922 /nfs/dbraw/zinc/75/29/22/563752922.db2.gz JLSJAIYYYWIGFA-UHFFFAOYSA-N 1 0 383.286 2.792 20 0 GFADRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)c1nc(C2CC2)ncc1Br ZINC000291677597 563753506 /nfs/dbraw/zinc/75/35/06/563753506.db2.gz DEUNXIUAPPUJPE-LLVKDONJSA-N 1 0 381.318 2.919 20 0 GFADRO C[N@@H+]1CCN(CCNC(=O)NCc2cc(Cl)sc2Cl)CC1(C)C ZINC000440978047 563753644 /nfs/dbraw/zinc/75/36/44/563753644.db2.gz FHAVJRNDCGEKNY-UHFFFAOYSA-N 1 0 379.357 2.880 20 0 GFADRO Brc1cc2c(cc1CNCCC[NH2+]Cc1cccnc1)OCO2 ZINC000414870753 563753692 /nfs/dbraw/zinc/75/36/92/563753692.db2.gz CSOOBKKLLLNIQS-UHFFFAOYSA-N 1 0 378.270 2.842 20 0 GFADRO CCCC[C@@H](C[NH3+])NCc1cc(I)c(OC)c(OC)c1 ZINC000414813143 563753731 /nfs/dbraw/zinc/75/37/31/563753731.db2.gz MAPSLBAYVWLEDN-LBPRGKRZSA-N 1 0 392.281 2.916 20 0 GFADRO COC[C@@]1(CN[C@H](C)CC(=O)Nc2cccc(Br)c2)CCC[NH2+]1 ZINC000414939009 563754198 /nfs/dbraw/zinc/75/41/98/563754198.db2.gz FXOOJTILWLMGOU-DYVFJYSZSA-N 1 0 384.318 2.524 20 0 GFADRO [NH3+]CCN(CCO)Cc1ccc(OCc2ccccc2)c(Br)c1 ZINC000414916282 563754529 /nfs/dbraw/zinc/75/45/29/563754529.db2.gz RXJMKTMRCLUOSA-UHFFFAOYSA-N 1 0 379.298 2.781 20 0 GFADRO [NH3+]C[C@H]1CC[C@H](NC(=O)Nc2cc(Br)ccc2N2CCOCC2)C1 ZINC000414933652 563754622 /nfs/dbraw/zinc/75/46/22/563754622.db2.gz UNCXKFJVOYTIFS-JSGCOSHPSA-N 1 0 397.317 2.535 20 0 GFADRO [NH3+]CCN(CCO)Cc1cc(Br)ccc1OCc1ccccc1 ZINC000414915543 563754651 /nfs/dbraw/zinc/75/46/51/563754651.db2.gz QXQYOYAIKPSQNA-UHFFFAOYSA-N 1 0 379.298 2.781 20 0 GFADRO COC[C@]1(CNCc2cn(-c3ccc(Br)cc3)nc2C)CCC[NH2+]1 ZINC000414949144 563755273 /nfs/dbraw/zinc/75/52/73/563755273.db2.gz YWZIQFCDCUDIEZ-GOSISDBHSA-N 1 0 393.329 2.801 20 0 GFADRO [NH3+]CCCNC(=O)Nc1cc(Br)ccc1I ZINC000415035426 563756837 /nfs/dbraw/zinc/75/68/37/563756837.db2.gz KVUHGADJEKETKQ-UHFFFAOYSA-N 1 0 398.042 2.524 20 0 GFADRO FC1(F)CNCC[C@@H]1C[NH2+]Cc1cn(-c2ccc(Cl)c(Cl)c2)nn1 ZINC000415007096 563756843 /nfs/dbraw/zinc/75/68/43/563756843.db2.gz UMEBKBPXONYRHW-SNVBAGLBSA-N 1 0 376.238 2.909 20 0 GFADRO Cc1cc(Br)cc(CNC[C@@H]2C[NH2+]CCCO2)c1OC(F)F ZINC000415050424 563758053 /nfs/dbraw/zinc/75/80/53/563758053.db2.gz YQWWERMODKKKIE-ZDUSSCGKSA-N 1 0 379.245 2.827 20 0 GFADRO CO[C@@H]1CC[N@H+](CC(=O)N(C)Cc2cc(Br)cs2)[C@H](C)C1 ZINC000441345743 563758122 /nfs/dbraw/zinc/75/81/22/563758122.db2.gz LSZAJCYQJVWSEF-DGCLKSJQSA-N 1 0 375.332 2.968 20 0 GFADRO COc1ccc(Br)c(NC(=O)N2CCC(OCCC[NH3+])CC2)c1 ZINC000415080019 563758946 /nfs/dbraw/zinc/75/89/46/563758946.db2.gz KVIJEGYSDDHGMX-UHFFFAOYSA-N 1 0 386.290 2.819 20 0 GFADRO C[C@H]1CN(C(=O)Nc2cc(F)c(I)c(F)c2)[C@@H](C)C[NH2+]1 ZINC000415121655 563759611 /nfs/dbraw/zinc/75/96/11/563759611.db2.gz NCLMMMJVZACODP-YUMQZZPRSA-N 1 0 395.191 2.784 20 0 GFADRO C[NH2+][C@H]1CCCN(C(=O)Nc2cc(F)c(I)c(F)c2)C1 ZINC000415114772 563759702 /nfs/dbraw/zinc/75/97/02/563759702.db2.gz GEGPFQFQNVTUPX-QMMMGPOBSA-N 1 0 395.191 2.785 20 0 GFADRO O=C1N[C@H]2CN(Cc3ccc(Cl)c(Cl)c3)CC[C@H]2N1C1CC[NH2+]CC1 ZINC000415146150 563761283 /nfs/dbraw/zinc/76/12/83/563761283.db2.gz YJICJYWXUODLLN-DLBZAZTESA-N 1 0 383.323 2.714 20 0 GFADRO CC1(NC(=O)Nc2cc(Br)ccc2-n2cccn2)CC[NH2+]CC1 ZINC000415165415 563761367 /nfs/dbraw/zinc/76/13/67/563761367.db2.gz QJIFUZBRPUWUMX-UHFFFAOYSA-N 1 0 378.274 2.898 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCN(C(=O)Nc2cc(Br)ccc2-n2cccn2)C1 ZINC000415169423 563761948 /nfs/dbraw/zinc/76/19/48/563761948.db2.gz VWBZBFGLNZSGJJ-RYUDHWBXSA-N 1 0 378.274 2.836 20 0 GFADRO CC(C)C[C@@](C)(C[NH3+])NC(=O)Nc1ccc(NS(C)(=O)=O)c(Cl)c1 ZINC000415204317 563762359 /nfs/dbraw/zinc/76/23/59/563762359.db2.gz VWUYJWALUIZKSJ-HNNXBMFYSA-N 1 0 376.910 2.597 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)Nc2ccc(Br)c(F)c2)CC12CCOCC2 ZINC000415234723 563763050 /nfs/dbraw/zinc/76/30/50/563763050.db2.gz VIDJDAVPHIIFLS-NSHDSACASA-N 1 0 386.265 2.807 20 0 GFADRO Cn1cc(Br)cc(NC(=O)N(CCC[NH3+])CC2CCCC2)c1=O ZINC000415248104 563763633 /nfs/dbraw/zinc/76/36/33/563763633.db2.gz BQXPOGGEPNIWFL-UHFFFAOYSA-N 1 0 385.306 2.521 20 0 GFADRO [NH3+]C[C@@H]1CC[C@H](NC(=O)Nc2ccc(F)cc2I)C1 ZINC000415257704 563764302 /nfs/dbraw/zinc/76/43/02/563764302.db2.gz ZVUWZWDLCKNJFN-SCZZXKLOSA-N 1 0 377.201 2.679 20 0 GFADRO Cc1cc(Br)c(F)cc1NC(=O)C(=O)NCC1([NH3+])CCCCC1 ZINC000415276024 563764616 /nfs/dbraw/zinc/76/46/16/563764616.db2.gz CAPLPZVWTDXSQF-UHFFFAOYSA-N 1 0 386.265 2.613 20 0 GFADRO O=C(NC[C@@H]1CCC[NH2+]1)Nc1ccc(Cl)cc1I ZINC000415279353 563765468 /nfs/dbraw/zinc/76/54/68/563765468.db2.gz CTSPGORYDLRKIA-VIFPVBQESA-N 1 0 379.629 2.818 20 0 GFADRO Cc1cc(NC(=O)C(=O)NCC2([NH3+])CCCCC2)c(F)cc1Br ZINC000415279785 563765489 /nfs/dbraw/zinc/76/54/89/563765489.db2.gz KKLJBIKYSCHLPA-UHFFFAOYSA-N 1 0 386.265 2.613 20 0 GFADRO C[C@@H](C[NH3+])CNC(=O)Nc1cccc(Oc2ncc(Br)cn2)c1 ZINC000415300483 563765956 /nfs/dbraw/zinc/76/59/56/563765956.db2.gz KDIKZPVWLLXOEF-JTQLQIEISA-N 1 0 380.246 2.748 20 0 GFADRO C[C@@H](C(=O)NCCCC[N@@H+]1CCC[C@H]1CO)c1cccc(Br)c1 ZINC000291945789 563765928 /nfs/dbraw/zinc/76/59/28/563765928.db2.gz PVYMHFUFERFWEB-PBHICJAKSA-N 1 0 383.330 2.906 20 0 GFADRO O=C(Nc1cc(Br)ccc1N1CCCC1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000415291811 563765963 /nfs/dbraw/zinc/76/59/63/563765963.db2.gz ARZJAECIYWQNOE-BETUJISGSA-N 1 0 379.302 2.732 20 0 GFADRO [NH3+][C@H]1CCCN(C(=O)Nc2cccc(Oc3ncc(Br)cn3)c2)C1 ZINC000415297301 563766270 /nfs/dbraw/zinc/76/62/70/563766270.db2.gz DUSQXLVRZMIVLD-LBPRGKRZSA-N 1 0 392.257 2.986 20 0 GFADRO Cc1c(Br)cccc1NC(=O)C(=O)NCC1([NH3+])CCCCCC1 ZINC000415317239 563766762 /nfs/dbraw/zinc/76/67/62/563766762.db2.gz PJLDPRDJMDLTJK-UHFFFAOYSA-N 1 0 382.302 2.864 20 0 GFADRO Cc1cccc(NC(=O)C(=O)NCC2([NH3+])CCCCCC2)c1Br ZINC000415317277 563766905 /nfs/dbraw/zinc/76/69/05/563766905.db2.gz POGMNJQQZQFQLQ-UHFFFAOYSA-N 1 0 382.302 2.864 20 0 GFADRO COC(=O)c1cc(Br)ccc1NC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000415327330 563767399 /nfs/dbraw/zinc/76/73/99/563767399.db2.gz IGTWBIHSMOJQIO-TXEJJXNPSA-N 1 0 396.285 2.699 20 0 GFADRO COC(=O)c1cc(Br)ccc1NC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000415329308 563767530 /nfs/dbraw/zinc/76/75/30/563767530.db2.gz KCVRLRNYXDDPBT-GFCCVEGCSA-N 1 0 382.258 2.594 20 0 GFADRO C[C@H](CO)[N@@H+]1CCCN(CC2=Cc3cc(Br)ccc3OC2)CC1 ZINC000364915762 563768447 /nfs/dbraw/zinc/76/84/47/563768447.db2.gz AYVJJOSVJYMZCM-CQSZACIVSA-N 1 0 381.314 2.613 20 0 GFADRO C[C@H]1C[C@H](NC(=O)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)CC[N@@H+]1C ZINC000442137778 563768774 /nfs/dbraw/zinc/76/87/74/563768774.db2.gz OWXQDECFZGVRKQ-GXSJLCMTSA-N 1 0 377.794 2.896 20 0 GFADRO CCOC(=O)c1cc(Br)ccc1NC(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000415349787 563768865 /nfs/dbraw/zinc/76/88/65/563768865.db2.gz MEWGXQZIGMXPMG-NEPJUHHUSA-N 1 0 396.285 2.699 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)Nc2cnn(-c3ccccc3Br)c2)C1 ZINC000415350921 563769339 /nfs/dbraw/zinc/76/93/39/563769339.db2.gz GURKMVVIGCEQBC-VXGBXAGGSA-N 1 0 378.274 2.836 20 0 GFADRO C[C@H](NC(=O)C(=O)Nc1ccc(Cl)cc1C(F)(F)F)[C@@H]1CCC[NH2+]C1 ZINC000415350007 563769491 /nfs/dbraw/zinc/76/94/91/563769491.db2.gz HPCWVWDFXPWLHT-VHSXEESVSA-N 1 0 377.794 2.802 20 0 GFADRO C[NH2+][C@@H]1CCCN(C(=O)C(=O)Nc2cccnc2-c2ccc(Cl)s2)C1 ZINC000415351972 563769505 /nfs/dbraw/zinc/76/95/05/563769505.db2.gz AKZZTYNOLRNRTF-LLVKDONJSA-N 1 0 378.885 2.612 20 0 GFADRO CCOC(=O)c1cc(Br)ccc1NC(=O)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000415354995 563769890 /nfs/dbraw/zinc/76/98/90/563769890.db2.gz SSBRBHWLRSIFFB-ZWNOBZJWSA-N 1 0 384.274 2.827 20 0 GFADRO CCOC(=O)c1cc(Br)ccc1NC(=O)N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000415357622 563770181 /nfs/dbraw/zinc/77/01/81/563770181.db2.gz WOHOQBXRWCPZSB-WDEREUQCSA-N 1 0 384.274 2.827 20 0 GFADRO C[NH2+]CCNC(=O)C(=O)Nc1ccc(Sc2nc(C)cs2)c(Cl)c1 ZINC000415357298 563770191 /nfs/dbraw/zinc/77/01/91/563770191.db2.gz HAECJYLCAXNZPZ-UHFFFAOYSA-N 1 0 384.914 2.530 20 0 GFADRO CN(C(=O)Nc1cccc(F)c1I)[C@@H](C[NH3+])C1CC1 ZINC000415362264 563770538 /nfs/dbraw/zinc/77/05/38/563770538.db2.gz ONPABTCUTYUNEB-NSHDSACASA-N 1 0 377.201 2.631 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)Nc2cccc(F)c2I)C1 ZINC000415361368 563770681 /nfs/dbraw/zinc/77/06/81/563770681.db2.gz MXZLVTHIOREWKI-RKDXNWHRSA-N 1 0 377.201 2.631 20 0 GFADRO Cc1ccc(Br)c(NC(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])c1 ZINC000415364040 563770801 /nfs/dbraw/zinc/77/08/01/563770801.db2.gz FYWGYNHPSVMZKM-ZDUSSCGKSA-N 1 0 397.317 2.609 20 0 GFADRO C[C@H]([NH3+])C1CCN(C(=O)C(=O)Nc2cccc(Br)c2Cl)CC1 ZINC000415375588 563771258 /nfs/dbraw/zinc/77/12/58/563771258.db2.gz FFIRBTGAWAXQSU-VIFPVBQESA-N 1 0 388.693 2.627 20 0 GFADRO O=C(Nc1cccc(F)c1I)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000415367422 563771301 /nfs/dbraw/zinc/77/13/01/563771301.db2.gz YEFUQIHQUKIRNY-ZJUUUORDSA-N 1 0 389.212 2.504 20 0 GFADRO COc1cc(S(=O)(=O)NC[C@H]2CC[N@H+](C)[C@H]2c2cccs2)ccc1F ZINC000364988880 563771406 /nfs/dbraw/zinc/77/14/06/563771406.db2.gz GUGOLXOMHWDQJL-SJKOYZFVSA-N 1 0 384.498 2.867 20 0 GFADRO C[NH2+][C@@H]1CCCN(C(=O)C(=O)Nc2cccc(Cl)c2SCC(F)F)C1 ZINC000415381675 563771453 /nfs/dbraw/zinc/77/14/53/563771453.db2.gz VBUSZYIZPRQNHY-SNVBAGLBSA-N 1 0 391.871 2.846 20 0 GFADRO C[C@H]([NH3+])C1CCN(C(=O)C(=O)Nc2ccc(Br)c(Cl)c2)CC1 ZINC000415385839 563771761 /nfs/dbraw/zinc/77/17/61/563771761.db2.gz OPJRWFJXJFKEKB-VIFPVBQESA-N 1 0 388.693 2.627 20 0 GFADRO Cc1cc(F)c(NC(=O)N2CC[C@H](C[NH3+])C2)c(I)c1 ZINC000415391974 563771841 /nfs/dbraw/zinc/77/18/41/563771841.db2.gz MUWLSCJURIFJMZ-SECBINFHSA-N 1 0 377.201 2.551 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N[C@H](C)C2=CC[N@H+](C)CC2)cc1Br ZINC000442328482 563771959 /nfs/dbraw/zinc/77/19/59/563771959.db2.gz CNUDVZNPXWOWRW-CYBMUJFWSA-N 1 0 394.313 2.771 20 0 GFADRO Cc1cc(F)c(NC(=O)N2C[C@H](C[NH3+])C[C@@H]2C)c(I)c1 ZINC000415396691 563772804 /nfs/dbraw/zinc/77/28/04/563772804.db2.gz UTFJYRDACDCMQP-UWVGGRQHSA-N 1 0 391.228 2.940 20 0 GFADRO COc1cc(NC(=O)NC[C@]2(C)CCC[NH2+]C2)cc(OC)c1Br ZINC000415406629 563773121 /nfs/dbraw/zinc/77/31/21/563773121.db2.gz DWGSQHXIPSZYST-MRXNPFEDSA-N 1 0 386.290 2.978 20 0 GFADRO C[N@@H+]1CC[C@]2(CCN(C(=O)NCc3cc(F)c(F)cc3Br)C2)C1 ZINC000292081007 563773109 /nfs/dbraw/zinc/77/31/09/563773109.db2.gz RDKGKXBVGFBPRS-INIZCTEOSA-N 1 0 388.256 2.965 20 0 GFADRO COC(=O)c1cc(NC(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)ccc1Br ZINC000415410993 563773639 /nfs/dbraw/zinc/77/36/39/563773639.db2.gz VNSGXZWRXWNQLH-ZBINZKHDSA-N 1 0 396.285 2.827 20 0 GFADRO COc1cc(NC(=O)N2CC[C@@H](C)[C@@H](C[NH3+])C2)cc(OC)c1Br ZINC000415417881 563774277 /nfs/dbraw/zinc/77/42/77/563774277.db2.gz WNLWCZZBYHZRDF-MNOVXSKESA-N 1 0 386.290 2.915 20 0 GFADRO COCCOc1ccc(Br)cc1NC(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000415427922 563774978 /nfs/dbraw/zinc/77/49/78/563774978.db2.gz PJXOXRCPGSFQOZ-INIZCTEOSA-N 1 0 386.290 2.677 20 0 GFADRO C[C@@H](C(=O)N1CC[NH+](C2CCOCC2)CC1)c1cccc(Br)c1 ZINC000292136226 563775297 /nfs/dbraw/zinc/77/52/97/563775297.db2.gz OGJMBCROSVFEMM-CQSZACIVSA-N 1 0 381.314 2.876 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)cc1Br ZINC000415432558 563775724 /nfs/dbraw/zinc/77/57/24/563775724.db2.gz FYPLQEOKMVAOAT-CHWSQXEVSA-N 1 0 382.302 2.590 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)Nc1ccc(S(C)(=O)=O)c(C(F)F)c1 ZINC000415445197 563776241 /nfs/dbraw/zinc/77/62/41/563776241.db2.gz VSEZAXVGFKGAKB-ZWNOBZJWSA-N 1 0 375.441 2.761 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)C(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000415451918 563776411 /nfs/dbraw/zinc/77/64/11/563776411.db2.gz SVCJTFDTRHVUBB-DGCLKSJQSA-N 1 0 382.302 2.536 20 0 GFADRO C[NH+]1CCC(CC(=O)N(CCO)Cc2cc(Br)ccc2F)CC1 ZINC000292164017 563776420 /nfs/dbraw/zinc/77/64/20/563776420.db2.gz NJZQRMWSQNSSEM-UHFFFAOYSA-N 1 0 387.293 2.641 20 0 GFADRO COC(=O)c1cc(Br)c(F)cc1NC(=O)N[C@@H]1CCC[C@@H]1C[NH3+] ZINC000415472655 563777548 /nfs/dbraw/zinc/77/75/48/563777548.db2.gz YELPSNBKNGEIPL-PRHODGIISA-N 1 0 388.237 2.624 20 0 GFADRO O=C(NC[C@H]1C[NH2+]CCO1)Nc1ccc(Br)c(Cl)c1Cl ZINC000415476050 563778226 /nfs/dbraw/zinc/77/82/26/563778226.db2.gz RNBOOVNQEVLBCE-SSDOTTSWSA-N 1 0 383.073 2.866 20 0 GFADRO CC[NH2+]CC1CCN(C(=O)C(=O)Nc2cc(Cl)c(Cl)cc2OC)CC1 ZINC000415482256 563778396 /nfs/dbraw/zinc/77/83/96/563778396.db2.gz WXSLUFWGASCALM-UHFFFAOYSA-N 1 0 388.295 2.789 20 0 GFADRO CCC([NH3+])(CC)CNC(=O)Nc1cc(Br)cnc1-n1cccn1 ZINC000415481090 563778410 /nfs/dbraw/zinc/77/84/10/563778410.db2.gz KCGIRKIQPBVGOG-UHFFFAOYSA-N 1 0 381.278 2.669 20 0 GFADRO C[C@@H](NC(=O)CN1CC[C@]2(CC[N@H+](C)C2)C1)c1ccc(Br)cc1 ZINC000292204652 563778794 /nfs/dbraw/zinc/77/87/94/563778794.db2.gz SODOAARSYNPXKY-KDOFPFPSSA-N 1 0 380.330 2.654 20 0 GFADRO CCCC[C@H](C[NH3+])NC(=O)C(=O)Nc1cc(Cl)ccc1Br ZINC000415497798 563779602 /nfs/dbraw/zinc/77/96/02/563779602.db2.gz MDXZGTHDQUJQRC-SNVBAGLBSA-N 1 0 376.682 2.675 20 0 GFADRO C[C@@H]1CCN(C(=O)Nc2nnc(-c3c(F)cccc3Cl)s2)C[C@@H]1C[NH3+] ZINC000415506444 563780148 /nfs/dbraw/zinc/78/01/48/563780148.db2.gz AUJMETLVWRNTGG-ZJUUUORDSA-N 1 0 383.880 3.446 20 0 GFADRO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)Nc1cc2c(cc1Br)CCC2 ZINC000415504124 563780185 /nfs/dbraw/zinc/78/01/85/563780185.db2.gz OWOLVWVCGJNKIK-OAHLLOKOSA-N 1 0 396.329 2.708 20 0 GFADRO CN(Cc1cc(Br)cs1)C(=O)CN(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442795155 563780410 /nfs/dbraw/zinc/78/04/10/563780410.db2.gz UTGQJVCPLPDWSU-PBWFPOADSA-N 1 0 386.359 2.684 20 0 GFADRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)Nc1nnc(-c2cccc(Br)c2)s1 ZINC000415503747 563780405 /nfs/dbraw/zinc/78/04/05/563780405.db2.gz SBHCWXIALHTOGA-JOYOIKCWSA-N 1 0 396.314 3.087 20 0 GFADRO O=C(Nc1ccc(F)cc1Br)C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000415514942 563780668 /nfs/dbraw/zinc/78/06/68/563780668.db2.gz HNSYUNUHWUZZHV-CQSZACIVSA-N 1 0 398.276 2.517 20 0 GFADRO [NH3+]C[C@H]1CCCN1C(=O)Nc1ccnn1Cc1ccccc1Br ZINC000415519342 563780891 /nfs/dbraw/zinc/78/08/91/563780891.db2.gz FUFGWNAWHODZPM-CYBMUJFWSA-N 1 0 378.274 2.649 20 0 GFADRO COC1(C[C@@H](C)[NH2+]CCNS(=O)(=O)c2ccc(Cl)cc2F)CCC1 ZINC000442857074 563781993 /nfs/dbraw/zinc/78/19/93/563781993.db2.gz DZNLRMHNKQHYPM-GFCCVEGCSA-N 1 0 378.897 2.695 20 0 GFADRO C[NH2+]C[C@H](C)CNC(=O)Nc1ccnn1Cc1ccc(Br)cc1 ZINC000415528197 563782649 /nfs/dbraw/zinc/78/26/49/563782649.db2.gz LMUAMJFROMMJBA-LBPRGKRZSA-N 1 0 380.290 2.671 20 0 GFADRO CC1(C)CN(C(=O)Nc2ccnn2Cc2ccc(Br)cc2)CC[NH2+]1 ZINC000415535015 563783385 /nfs/dbraw/zinc/78/33/85/563783385.db2.gz VZXJKHYVCGHCLN-UHFFFAOYSA-N 1 0 392.301 2.910 20 0 GFADRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)Nc1cccnc1-c1ccc(Cl)s1 ZINC000415542109 563783662 /nfs/dbraw/zinc/78/36/62/563783662.db2.gz PKOAOGJGZVEMLF-GHMZBOCLSA-N 1 0 378.885 2.598 20 0 GFADRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)Nc1ccnn1Cc1ccc(Br)cc1 ZINC000415536963 563783733 /nfs/dbraw/zinc/78/37/33/563783733.db2.gz YZLCLZUOMLFWTE-FZMZJTMJSA-N 1 0 378.274 2.647 20 0 GFADRO COC(=O)c1c(C)c(NC(=O)N[C@H]2CCC[C@@H]([NH3+])C2)ccc1Br ZINC000415592460 563785812 /nfs/dbraw/zinc/78/58/12/563785812.db2.gz CGUZDLFCEBCJQS-MNOVXSKESA-N 1 0 384.274 2.936 20 0 GFADRO O=C(Nc1cc(C(F)(F)F)ccc1Cl)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000415594331 563786327 /nfs/dbraw/zinc/78/63/27/563786327.db2.gz KIACUBOKIGVNIK-OAHLLOKOSA-N 1 0 375.778 2.509 20 0 GFADRO COC(=O)c1c(Br)ccc(NC(=O)N[C@H]2C[NH2+]CC[C@H]2C)c1C ZINC000415593892 563786500 /nfs/dbraw/zinc/78/65/00/563786500.db2.gz FPSYEAIELQZNJV-RNCFNFMXSA-N 1 0 384.274 2.664 20 0 GFADRO CSC[C@@H]1CCC[N@H+](CCCS(=O)(=O)c2ccc(NC(C)=O)cc2)C1 ZINC000292446580 563787102 /nfs/dbraw/zinc/78/71/02/563787102.db2.gz PAMNCWDFIVCXCZ-MRXNPFEDSA-N 1 0 384.567 2.884 20 0 GFADRO NC(=O)[C@H](c1ccc(Br)cc1F)N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000365567607 563787680 /nfs/dbraw/zinc/78/76/80/563787680.db2.gz BTFANZCEGQIUPO-WPUCRFQZSA-N 1 0 396.304 2.531 20 0 GFADRO Cn1cc(Br)c(C(=O)NCc2cccc(C[NH+]3CCCC3)c2)n1 ZINC000292463826 563787859 /nfs/dbraw/zinc/78/78/59/563787859.db2.gz ADYMOLZMVRJBEN-UHFFFAOYSA-N 1 0 377.286 2.708 20 0 GFADRO CO[C@H]1CCN(C(=O)Nc2cc3c(cc2Br)CCC3)[C@H](C[NH3+])C1 ZINC000415615477 563788031 /nfs/dbraw/zinc/78/80/31/563788031.db2.gz OKVODWIWPYLANW-KBPBESRZSA-N 1 0 382.302 2.908 20 0 GFADRO COC(=O)c1cc(F)c(Br)cc1NC(=O)N(C)CC(C)(C)C[NH3+] ZINC000415631756 563788814 /nfs/dbraw/zinc/78/88/14/563788814.db2.gz OPCNKDLABXKDTH-UHFFFAOYSA-N 1 0 390.253 2.823 20 0 GFADRO CC(C)C[C@H](C[NH3+])NC(=O)Nc1ccnn1-c1ccc(Br)cn1 ZINC000415629710 563788827 /nfs/dbraw/zinc/78/88/27/563788827.db2.gz BUALSXHQFRHJML-GFCCVEGCSA-N 1 0 381.278 2.525 20 0 GFADRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)Nc1ccnn1-c1ccc(Br)cn1 ZINC000415630183 563788917 /nfs/dbraw/zinc/78/89/17/563788917.db2.gz CLOJXKHDGNRFKW-ZDUSSCGKSA-N 1 0 395.305 2.867 20 0 GFADRO CC(C)[C@@H]1C[C@@H]([NH2+]CCNS(=O)(=O)c2ccc(Cl)cc2F)CS1 ZINC000443064548 563790259 /nfs/dbraw/zinc/79/02/59/563790259.db2.gz PMMYPTCGXDMTHW-OCCSQVGLSA-N 1 0 380.938 2.877 20 0 GFADRO CCCOc1c(Br)cc(C[N@@H+]2CC[C@@H]3C(=O)NC[C@H]3C2)cc1OC ZINC000365661337 563790362 /nfs/dbraw/zinc/79/03/62/563790362.db2.gz QNDADCYPWGNVPR-KBPBESRZSA-N 1 0 397.313 2.814 20 0 GFADRO Cn1cc(Br)c(C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000292570815 563790399 /nfs/dbraw/zinc/79/03/99/563790399.db2.gz IWLPAOQIUNUOBU-UHFFFAOYSA-N 1 0 391.313 2.825 20 0 GFADRO COC(=O)c1cc(NC(=O)N2CC[C@@H](C)[C@@H](C[NH3+])C2)c(C)cc1Br ZINC000415703316 563792048 /nfs/dbraw/zinc/79/20/48/563792048.db2.gz FNNXWYFRWDAKLO-PWSUYJOCSA-N 1 0 398.301 2.993 20 0 GFADRO C[C@H]1CCCN(C(=O)Nc2ccc3nccnc3c2Br)[C@H]1C[NH3+] ZINC000415706682 563792061 /nfs/dbraw/zinc/79/20/61/563792061.db2.gz MTGRFEBUGXSFQU-GWCFXTLKSA-N 1 0 378.274 2.983 20 0 GFADRO COC(=O)c1cc(NC(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)c(C)cc1Br ZINC000415715350 563793237 /nfs/dbraw/zinc/79/32/37/563793237.db2.gz YXHNPALPAAOSEQ-LKFCYVNXSA-N 1 0 384.274 2.664 20 0 GFADRO Cn1cc(Br)c(CN2CCC[C@H](c3nnc4n3CCCCC4)C2)n1 ZINC000292694685 563793542 /nfs/dbraw/zinc/79/35/42/563793542.db2.gz SAVAMRSXWAGELN-ZDUSSCGKSA-N 1 0 393.333 2.880 20 0 GFADRO Cc1cc(NC(=O)C(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)cc(C)c1Br ZINC000415743154 563793588 /nfs/dbraw/zinc/79/35/88/563793588.db2.gz NQPLQHQBCXWLDO-LSDHHAIUSA-N 1 0 394.313 2.509 20 0 GFADRO CS(=O)(=O)C[C@H]1CCN(CC2=Cc3cc(Br)ccc3OC2)C1 ZINC000292702889 563793877 /nfs/dbraw/zinc/79/38/77/563793877.db2.gz CNWWIESUQBQDIV-LBPRGKRZSA-N 1 0 386.311 2.591 20 0 GFADRO C[NH+](C)C1(CNc2cnn(-c3ccccn3)c(=O)c2Br)CCCC1 ZINC000292740265 563794402 /nfs/dbraw/zinc/79/44/02/563794402.db2.gz JKQXAXOVTBYURM-UHFFFAOYSA-N 1 0 392.301 2.676 20 0 GFADRO C[NH+]1CCC(n2ccc(NC(=O)COc3ccc(Cl)c(Cl)c3)n2)CC1 ZINC000365872140 563795025 /nfs/dbraw/zinc/79/50/25/563795025.db2.gz KOBVOTIQTSHSMA-UHFFFAOYSA-N 1 0 383.279 3.474 20 0 GFADRO CCC([NH3+])(CC)CNC(=O)Nc1ccn(-c2ccc(Br)cc2)n1 ZINC000415764469 563795140 /nfs/dbraw/zinc/79/51/40/563795140.db2.gz ZOCNWEOSZHQOSL-UHFFFAOYSA-N 1 0 380.290 3.274 20 0 GFADRO Cn1cc(Br)c(C(=O)NCC(C)(C)[N@@H+]2CCc3ccccc3C2)n1 ZINC000292789302 563795944 /nfs/dbraw/zinc/79/59/44/563795944.db2.gz MQEMKKMOQXLAAV-UHFFFAOYSA-N 1 0 391.313 2.749 20 0 GFADRO CC(C)c1cc(Br)ccc1NC(=O)C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000415778920 563796276 /nfs/dbraw/zinc/79/62/76/563796276.db2.gz KEOGTIVKZJMSJJ-SWLSCSKDSA-N 1 0 394.313 2.721 20 0 GFADRO O=C(Nc1cnn(Cc2ccc(Br)cc2Cl)c1)N1CC[NH2+]CC1 ZINC000415822326 563798148 /nfs/dbraw/zinc/79/81/48/563798148.db2.gz PNOOTJTVCKSYKB-UHFFFAOYSA-N 1 0 398.692 2.784 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000415820391 563798359 /nfs/dbraw/zinc/79/83/59/563798359.db2.gz ZTVZFEMPWWNRBN-JSGCOSHPSA-N 1 0 382.302 2.638 20 0 GFADRO [NH3+]C[C@@H](NC(=O)C(=O)Nc1cccc(Br)c1Cl)C1CCCC1 ZINC000415822019 563798401 /nfs/dbraw/zinc/79/84/01/563798401.db2.gz JTXKCXIUCIUGFW-GFCCVEGCSA-N 1 0 388.693 2.675 20 0 GFADRO CCc1ccc(Cl)c(CC)c1NC(=O)C(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000415844786 563798832 /nfs/dbraw/zinc/79/88/32/563798832.db2.gz UGBVMSFNARJUBU-GFCCVEGCSA-N 1 0 379.810 2.799 20 0 GFADRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)C(=O)Nc2ccc(Br)c3ccccc23)C1 ZINC000415843059 563798844 /nfs/dbraw/zinc/79/88/44/563798844.db2.gz RZIRFVDQLGTGLL-VXGBXAGGSA-N 1 0 390.281 2.784 20 0 GFADRO C[C@H]1CCN(C(=O)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)C[C@H]1C[NH3+] ZINC000415841151 563799029 /nfs/dbraw/zinc/79/90/29/563799029.db2.gz GMPOTQCVJQSWTP-VHSXEESVSA-N 1 0 377.794 2.741 20 0 GFADRO Cc1cc(Cl)cc(NC(=O)C(=O)N[C@H]2CC[C@@H](C[NH3+])C2)c1Br ZINC000415833347 563799031 /nfs/dbraw/zinc/79/90/31/563799031.db2.gz MYUHHKJZJNUBPR-KOLCDFICSA-N 1 0 388.693 2.593 20 0 GFADRO C[C@H]1CCN(C(=O)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)C[C@@H]1C[NH3+] ZINC000415843266 563799118 /nfs/dbraw/zinc/79/91/18/563799118.db2.gz ICSPQZUQASBUDM-UWVGGRQHSA-N 1 0 377.794 2.741 20 0 GFADRO O=C(Nc1cccc(Cl)c1SCC(F)F)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000415872644 563800425 /nfs/dbraw/zinc/80/04/25/563800425.db2.gz SRRSBXUYBXUMKA-SNVBAGLBSA-N 1 0 391.871 2.894 20 0 GFADRO O=C(NCc1cc(Br)ccn1)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000415972725 563800957 /nfs/dbraw/zinc/80/09/57/563800957.db2.gz LSFJKEYYJJPPQH-UHFFFAOYSA-N 1 0 379.233 2.951 20 0 GFADRO [NH3+][C@H]1CCc2ncc(NC(=O)NCc3ccc(O)c(Br)c3)cc2C1 ZINC000415957608 563801149 /nfs/dbraw/zinc/80/11/49/563801149.db2.gz JZAPYCFFYYDEFN-LBPRGKRZSA-N 1 0 391.269 2.687 20 0 GFADRO C[NH2+]Cc1ccc(NC(=O)NCCCCn2cc(Br)cn2)cc1 ZINC000415985865 563801213 /nfs/dbraw/zinc/80/12/13/563801213.db2.gz CBWFHNUNHOQTOW-UHFFFAOYSA-N 1 0 380.290 2.967 20 0 GFADRO OC[C@@H](O)CN(CCC(F)(F)F)Cc1c[nH]c(-c2ccc(Cl)cc2)n1 ZINC000366199997 563801435 /nfs/dbraw/zinc/80/14/35/563801435.db2.gz IJSHPRJONGJHRP-AWEZNQCLSA-N 1 0 377.794 2.838 20 0 GFADRO CN(CCc1cccc(Br)c1)C(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000416040466 563803913 /nfs/dbraw/zinc/80/39/13/563803913.db2.gz HIQOSIIAOFZLHX-LBPRGKRZSA-N 1 0 382.224 2.913 20 0 GFADRO [NH3+]CC[C@@H](NC(=O)N[C@@]1(Cc2ccc(Cl)cc2)CCOC1)C(F)(F)F ZINC000416038646 563804070 /nfs/dbraw/zinc/80/40/70/563804070.db2.gz DZCQPTBNNVTRKL-UKRRQHHQSA-N 1 0 379.810 2.621 20 0 GFADRO O=C(NCC[C@@H]1CCC[NH2+]C1)[C@H]1CCCN(c2ccc(Br)cn2)C1 ZINC000366350093 563806315 /nfs/dbraw/zinc/80/63/15/563806315.db2.gz ZHLYUXQJHSFOEV-GJZGRUSLSA-N 1 0 395.345 2.566 20 0 GFADRO C[C@@H](C[NH+]1CCN(C)CC1)Nc1ccnc2c(Br)ccc(F)c12 ZINC000443521241 563807967 /nfs/dbraw/zinc/80/79/67/563807967.db2.gz HXVKPJIETJTKCY-LBPRGKRZSA-N 1 0 381.293 2.606 20 0 GFADRO CCS(=O)(=O)c1ccc(CNC(=O)C[C@H](c2ccccc2)[NH+](C)C)s1 ZINC000416224187 563810360 /nfs/dbraw/zinc/81/03/60/563810360.db2.gz QFTKVQSXSMXZJT-MRXNPFEDSA-N 1 0 380.535 2.851 20 0 GFADRO CN(CCn1cc(Br)cn1)C(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000416232909 563811395 /nfs/dbraw/zinc/81/13/95/563811395.db2.gz HCOGRLHSZPVOMN-INIZCTEOSA-N 1 0 379.302 2.797 20 0 GFADRO CCOc1cc(Br)c(CC(=O)N2CC[C@H]3C[NH2+]C[C@H]32)cc1OCC ZINC000366527699 563811880 /nfs/dbraw/zinc/81/18/80/563811880.db2.gz OMOSWSWKXNDAJY-SWLSCSKDSA-N 1 0 397.313 2.609 20 0 GFADRO O=C1NC(=O)[C@@H]2C[N@H+](Cc3ccc(-c4cccc(Br)c4)o3)CC[C@@H]12 ZINC000366543827 563812619 /nfs/dbraw/zinc/81/26/19/563812619.db2.gz JUUSCVTYEQFBFF-HUUCEWRRSA-N 1 0 389.249 2.804 20 0 GFADRO COc1ccc(Br)c(C(=O)NCCC[NH2+]Cc2conc2C)c1 ZINC000293447041 563812697 /nfs/dbraw/zinc/81/26/97/563812697.db2.gz CGTOHWHVXVNUFX-UHFFFAOYSA-N 1 0 382.258 2.664 20 0 GFADRO COc1ccc(C(=O)N2CC[C@@H](OCC[NH+]3CCCC3)C2)cc1Br ZINC000443866268 563812900 /nfs/dbraw/zinc/81/29/00/563812900.db2.gz DXDLHEZHRWIWNA-OAHLLOKOSA-N 1 0 397.313 2.785 20 0 GFADRO Cc1ccc(-n2nc(Br)cc2C(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000293473200 563814382 /nfs/dbraw/zinc/81/43/82/563814382.db2.gz QSPYPXSSTLVEAY-ZFWWWQNUSA-N 1 0 389.297 2.767 20 0 GFADRO O=C(Nc1ccc(Br)cc1F)C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000366638958 563815901 /nfs/dbraw/zinc/81/59/01/563815901.db2.gz MNUWTYAITWRFPK-UHFFFAOYSA-N 1 0 398.276 2.660 20 0 GFADRO C[C@@H]1CN(C(=O)Cc2cc(Cl)ccc2Br)[C@@H](C)C[N@@H+]1CCO ZINC000416316469 563815911 /nfs/dbraw/zinc/81/59/11/563815911.db2.gz VZSIFXNNBJBBGP-NEPJUHHUSA-N 1 0 389.721 2.559 20 0 GFADRO CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)N[C@@H](C)CCCC[NH3+] ZINC000293597163 563820357 /nfs/dbraw/zinc/82/03/57/563820357.db2.gz ZMTHPUUSDXEQRY-BBRMVZONSA-N 1 0 385.961 2.825 20 0 GFADRO Cc1cc(Br)cc(S(=O)(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)c1 ZINC000444079421 563820851 /nfs/dbraw/zinc/82/08/51/563820851.db2.gz VYGRJSNXTQZINK-KGLIPLIRSA-N 1 0 375.332 2.909 20 0 GFADRO O=C(C[NH2+]C1(Cc2ccc(F)cc2Br)CCOCC1)N1CCC1 ZINC000293717696 563822275 /nfs/dbraw/zinc/82/22/75/563822275.db2.gz YHAVYQODLKRDCZ-UHFFFAOYSA-N 1 0 385.277 2.502 20 0 GFADRO Cc1cc(S(=O)(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)c(F)cc1Br ZINC000416406945 563823768 /nfs/dbraw/zinc/82/37/68/563823768.db2.gz HJJCESNIMSAYJI-SMDDNHRTSA-N 1 0 393.322 2.857 20 0 GFADRO C[C@H]1[C@@H]([NH2+]Cc2ccc(Br)c(Br)c2)CCS1(=O)=O ZINC000293826347 563824898 /nfs/dbraw/zinc/82/48/98/563824898.db2.gz GFRSAKBPSXTJSG-UFBFGSQYSA-N 1 0 397.132 2.877 20 0 GFADRO CN(C(=O)c1cnc2ccc(Br)cc2c1O)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000444269395 563826293 /nfs/dbraw/zinc/82/62/93/563826293.db2.gz PRRHPTCJGGZOLC-ZDUSSCGKSA-N 1 0 390.281 2.599 20 0 GFADRO COCC[C@H](Cc1cccc(Br)c1)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000444261468 563826538 /nfs/dbraw/zinc/82/65/38/563826538.db2.gz YCFMMEYRQXRIHM-NVXWUHKLSA-N 1 0 383.330 2.903 20 0 GFADRO Cc1nc(-c2cc3c(s2)CC[N@H+](C[C@@H]2CCN(S(C)(=O)=O)C2)C3)cs1 ZINC000366997014 563827396 /nfs/dbraw/zinc/82/73/96/563827396.db2.gz PWBGOGGVSIUKAV-ZDUSSCGKSA-N 1 0 397.591 2.820 20 0 GFADRO Cc1ccc(S(=O)(=O)N2C[C@@H]([NH3+])Cc3ccccc32)cc1Br ZINC000416429732 563827977 /nfs/dbraw/zinc/82/79/77/563827977.db2.gz ZWZATPSUYPZTHY-ZDUSSCGKSA-N 1 0 381.295 2.836 20 0 GFADRO C[C@H](Sc1nc2ccccc2s1)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000367149855 563833327 /nfs/dbraw/zinc/83/33/27/563833327.db2.gz ZGOJXBBOJDVVHK-MJBXVCDLSA-N 1 0 377.535 2.756 20 0 GFADRO O=C1[C@@H](N2CC[NH+]([C@@H]3CCSC3)CC2)CCN1c1ccc(Cl)c(F)c1 ZINC000367199567 563835497 /nfs/dbraw/zinc/83/54/97/563835497.db2.gz CQFVMCHPCDCUSY-PBHICJAKSA-N 1 0 383.920 2.708 20 0 GFADRO O=C(C[N@H+]1CC[C@H](CC(F)(F)F)C1)N1CCN(Cc2ccsc2)CC1 ZINC000444704370 563835659 /nfs/dbraw/zinc/83/56/59/563835659.db2.gz KZKMLOUXMIACDQ-CQSZACIVSA-N 1 0 375.460 2.667 20 0 GFADRO C[C@H]([NH2+]C[C@@H]1CCCN(S(C)(=O)=O)C1)c1ccc(Br)s1 ZINC000444785560 563836514 /nfs/dbraw/zinc/83/65/14/563836514.db2.gz QWMAMEOIKFRPHF-QWRGUYRKSA-N 1 0 381.361 2.833 20 0 GFADRO COC(=O)[C@@H](c1ccc(Cl)cc1Cl)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000444757231 563836561 /nfs/dbraw/zinc/83/65/61/563836561.db2.gz DODPNHHODFPQTR-BLLLJJGKSA-N 1 0 389.323 2.985 20 0 GFADRO COC(=O)[C@@H](c1cccc(Cl)c1Cl)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000444760192 563836942 /nfs/dbraw/zinc/83/69/42/563836942.db2.gz SCVJNIJYHJPWLG-MLGOLLRUSA-N 1 0 389.323 2.985 20 0 GFADRO CCC[N@H+](CC)C[C@H](C)NS(=O)(=O)c1cccc(Cl)c1C(=O)OC ZINC000416485194 563837391 /nfs/dbraw/zinc/83/73/91/563837391.db2.gz ZUKPFDOIGCIKHV-LBPRGKRZSA-N 1 0 376.906 2.525 20 0 GFADRO COC(=O)CC[C@H]([NH3+])C(=O)N[C@H]1CCCOc2c(Cl)c(Cl)ccc21 ZINC000367283614 563839272 /nfs/dbraw/zinc/83/92/72/563839272.db2.gz XPJVHHNCZYVOAZ-RYUDHWBXSA-N 1 0 375.252 2.604 20 0 GFADRO CC[NH+](CC)[C@H](CNC(=O)c1nn(C)cc1Br)c1ccccc1 ZINC000294358378 563839737 /nfs/dbraw/zinc/83/97/37/563839737.db2.gz VEEOBDWWHBRUQG-OAHLLOKOSA-N 1 0 379.302 2.996 20 0 GFADRO C[N@H+](CCCCNS(=O)(=O)c1ccc(Br)c(F)c1)C1CC1 ZINC000416507202 563840529 /nfs/dbraw/zinc/84/05/29/563840529.db2.gz MMUTZZWXEQEVFY-UHFFFAOYSA-N 1 0 379.295 2.741 20 0 GFADRO Cc1cc(Br)ccc1S(=O)(=O)NCCCC[N@@H+](C)C1CC1 ZINC000416506841 563840720 /nfs/dbraw/zinc/84/07/20/563840720.db2.gz KYIQBYFDKNKVKL-UHFFFAOYSA-N 1 0 375.332 2.910 20 0 GFADRO COCc1ncsc1C(=O)N[C@@H]1CC[N@H+](Cc2cnc(C)s2)C[C@@H]1C ZINC000367359944 563842052 /nfs/dbraw/zinc/84/20/52/563842052.db2.gz ABRQDAIHRCIBFI-SMDDNHRTSA-N 1 0 380.539 2.695 20 0 GFADRO COCCc1nc(C)c([C@H](C)[NH2+]CC(=O)N2CCc3sccc3C2)s1 ZINC000367396210 563843047 /nfs/dbraw/zinc/84/30/47/563843047.db2.gz HPSZZVATXIJEAB-LBPRGKRZSA-N 1 0 379.551 2.937 20 0 GFADRO COC(=O)c1ccc(C[N@@H+]2CCCC[C@@H]2[C@H]2CNC(=O)C2)c(Br)c1 ZINC000367439087 563844786 /nfs/dbraw/zinc/84/47/86/563844786.db2.gz RJRDVONTASIXAJ-GDBMZVCRSA-N 1 0 395.297 2.726 20 0 GFADRO O=C(C[NH2+][C@H](c1cncc(Br)c1)C1CC1)N1CCOC[C@@H]1C1CC1 ZINC000367452878 563845006 /nfs/dbraw/zinc/84/50/06/563845006.db2.gz WVFYLQQBZZUNNR-AEFFLSMTSA-N 1 0 394.313 2.522 20 0 GFADRO O=C(NCC1([NH+]2CCCC2)CCOCC1)[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC000294537294 563846056 /nfs/dbraw/zinc/84/60/56/563846056.db2.gz JFNRMJJVGNQBIV-MRXNPFEDSA-N 1 0 387.307 2.788 20 0 GFADRO CS(=O)(=O)CC1CCC([NH2+][C@H](CO)c2cccc(Br)c2)CC1 ZINC000294622727 563848359 /nfs/dbraw/zinc/84/83/59/563848359.db2.gz FKUHTDHITAWQEJ-VDSRIPIWSA-N 1 0 390.343 2.676 20 0 GFADRO C[N@@H+]1CCC[C@@H](CCNS(=O)(=O)CCc2ccccc2Br)C1 ZINC000416562335 563849144 /nfs/dbraw/zinc/84/91/44/563849144.db2.gz WENXLPGGBYNNLJ-AWEZNQCLSA-N 1 0 389.359 2.643 20 0 GFADRO C[N@@H+]1CCC[C@@H](CCNS(=O)(=O)c2cc(Br)ccc2F)C1 ZINC000416564916 563849313 /nfs/dbraw/zinc/84/93/13/563849313.db2.gz SHTGJOUMMNLIGB-NSHDSACASA-N 1 0 379.295 2.598 20 0 GFADRO COc1cccc(N2CCC([NH2+]CCn3cc(Br)cn3)CC2)c1 ZINC000367700249 563852358 /nfs/dbraw/zinc/85/23/58/563852358.db2.gz UUSKSJSIBJHNPG-UHFFFAOYSA-N 1 0 379.302 2.913 20 0 GFADRO CCCNC(=O)C[C@@H](C(N)=O)[N@H+](CCC)Cc1ccc(C)c(Br)c1 ZINC000445810413 563854626 /nfs/dbraw/zinc/85/46/26/563854626.db2.gz ZMHNXYSHKILWNU-INIZCTEOSA-N 1 0 398.345 2.740 20 0 GFADRO CCC[C@]1(C)C(=O)NCC[N@H+]1CCC(=O)Nc1cccc(Br)c1 ZINC000446024778 563856732 /nfs/dbraw/zinc/85/67/32/563856732.db2.gz WAVMQGDRANPVPD-QGZVFWFLSA-N 1 0 382.302 2.768 20 0 GFADRO O=C(c1[nH]nc(-c2ccccc2)c1Br)N1CCNC[C@H]1C(F)F ZINC000368000360 563861456 /nfs/dbraw/zinc/86/14/56/563861456.db2.gz YFBMSOMAMQVNJY-JTQLQIEISA-N 1 0 385.212 2.518 20 0 GFADRO C[C@H](CNC(=O)[C@@H]1C[C@H]1C1CC[NH2+]CC1)Oc1ccccc1Br ZINC000367991781 563861538 /nfs/dbraw/zinc/86/15/38/563861538.db2.gz CKFTZVCQATXQKO-VHDGCEQUSA-N 1 0 381.314 2.968 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)NCCSc2ccc(Cl)cc2)CC12CCOCC2 ZINC000416861694 563862389 /nfs/dbraw/zinc/86/23/89/563862389.db2.gz KPQUHFIZLLMKSI-CQSZACIVSA-N 1 0 383.945 2.829 20 0 GFADRO C[NH+](C)CCOCCNC(=O)N[C@H](c1ccc(F)c(Cl)c1)C(F)(F)F ZINC000446355267 563863379 /nfs/dbraw/zinc/86/33/79/563863379.db2.gz NHOYKMYBKSUVEZ-CYBMUJFWSA-N 1 0 385.789 2.960 20 0 GFADRO CC[C@H]([NH2+][C@@H]1CCc2nc[nH]c2C1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000368102567 563863891 /nfs/dbraw/zinc/86/38/91/563863891.db2.gz OUBOBVOVOQOWGP-OCCSQVGLSA-N 1 0 382.917 2.569 20 0 GFADRO CC(C)[C@@H](O)C(=O)N(Cc1ccccc1Br)C1CC[NH+](C)CC1 ZINC000368186500 563866089 /nfs/dbraw/zinc/86/60/89/563866089.db2.gz SLTKNOOMMXGUAY-QGZVFWFLSA-N 1 0 383.330 2.889 20 0 GFADRO O=S(=O)(c1ccc(CC(F)(F)F)cc1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000368186018 563866313 /nfs/dbraw/zinc/86/63/13/563866313.db2.gz YLRJQIGUSTVSNJ-OAHLLOKOSA-N 1 0 376.444 2.802 20 0 GFADRO C[NH+](C)C1(CNC(=O)NC(C)(C)COc2ncccc2Br)CCC1 ZINC000446616186 563866644 /nfs/dbraw/zinc/86/66/44/563866644.db2.gz WLVOKHCHFZNUNV-UHFFFAOYSA-N 1 0 399.333 2.785 20 0 GFADRO COc1ccc(F)cc1C[NH2+]C[C@H]1CCN(S(=O)(=O)c2cccs2)C1 ZINC000368239072 563866951 /nfs/dbraw/zinc/86/69/51/563866951.db2.gz HHWKYIIZOUFWFR-CYBMUJFWSA-N 1 0 384.498 2.696 20 0 GFADRO C[C@@H](Cc1ccc(Br)cc1)NC(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000417110430 563868295 /nfs/dbraw/zinc/86/82/95/563868295.db2.gz YZZAEOOGNIGQDG-GWCFXTLKSA-N 1 0 376.245 2.677 20 0 GFADRO CCOC1CC(O)(C[NH2+][C@H](C)CC(=O)Nc2ccc(Br)cc2)C1 ZINC000446834451 563869462 /nfs/dbraw/zinc/86/94/62/563869462.db2.gz XEZYDIGRCCOLKC-OLJMKKDRSA-N 1 0 385.302 2.686 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000446921675 563870303 /nfs/dbraw/zinc/87/03/03/563870303.db2.gz IAEGTKSQGOUORE-FVQBIDKESA-N 1 0 393.336 2.866 20 0 GFADRO O=C(NCC1(c2cccc(Br)c2)CCOCC1)N[C@H]1CCC[NH2+]C1 ZINC000417178800 563871027 /nfs/dbraw/zinc/87/10/27/563871027.db2.gz NCMVTCCJLKSGSJ-INIZCTEOSA-N 1 0 396.329 2.549 20 0 GFADRO O=C(c1cc(Br)c2c(c1)OCCO2)N1CCC[C@H]2C[NH2+]CCC[C@H]21 ZINC000368444120 563871308 /nfs/dbraw/zinc/87/13/08/563871308.db2.gz BFQPBUJALAVDEA-SWLSCSKDSA-N 1 0 395.297 2.825 20 0 GFADRO C[C@@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)c1cc(Br)nn1C ZINC000368461779 563871598 /nfs/dbraw/zinc/87/15/98/563871598.db2.gz KKHJJBVDEFNLRE-CQSZACIVSA-N 1 0 391.313 2.919 20 0 GFADRO C[C@H](NC(=O)N1CC[NH2+][C@@H](C)[C@@H]1C)c1cc2c(cc1Br)OCCO2 ZINC000417189723 563871852 /nfs/dbraw/zinc/87/18/52/563871852.db2.gz YXMZMAZHUAFLBW-SRVKXCTJSA-N 1 0 398.301 2.673 20 0 GFADRO O=C1CC[C@H]([NH2+]Cc2cc(Br)c3c(c2)OCCCO3)[C@@H](C2CC2)N1 ZINC000368500716 563872481 /nfs/dbraw/zinc/87/24/81/563872481.db2.gz YFUPRBPTVZTSBK-WMLDXEAASA-N 1 0 395.297 2.757 20 0 GFADRO [NH3+]CCN(Cc1ccccc1)C(=O)NCCOc1cccc(Br)c1 ZINC000417206413 563872997 /nfs/dbraw/zinc/87/29/97/563872997.db2.gz KGESOMUKIAFWLW-UHFFFAOYSA-N 1 0 392.297 2.998 20 0 GFADRO CC[N@@H+]1CC[C@H](NCc2ccc(S(C)(=O)=O)c(C(F)(F)F)c2)[C@H](C)C1 ZINC000447084624 563874366 /nfs/dbraw/zinc/87/43/66/563874366.db2.gz FCRYIGLUOUATCL-DOMZBBRYSA-N 1 0 378.460 2.929 20 0 GFADRO [NH3+]CC[C@H]1CCCN(C(=O)NCCC(=O)Nc2ccc(Br)cc2)C1 ZINC000417229226 563874678 /nfs/dbraw/zinc/87/46/78/563874678.db2.gz SUBJPSRZPBRBIS-CYBMUJFWSA-N 1 0 397.317 2.548 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H](NC(=O)NC[C@@H]2CCN(c3cccc(Br)c3)C2)C1 ZINC000417256996 563875253 /nfs/dbraw/zinc/87/52/53/563875253.db2.gz BXMWRMPETYMAPO-NUEKZKHPSA-N 1 0 395.345 2.845 20 0 GFADRO C[C@@H]1CN(C(=O)NC[C@H]2CCN(c3cccc(Br)c3)C2)[C@@H](C)C[NH2+]1 ZINC000417263547 563875631 /nfs/dbraw/zinc/87/56/31/563875631.db2.gz QFXHODOOHLUPNK-QLFBSQMISA-N 1 0 395.345 2.667 20 0 GFADRO [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NS(=O)(=O)c1cc(F)ccc1Br ZINC000447247497 563877941 /nfs/dbraw/zinc/87/79/41/563877941.db2.gz QWKBXUBPGGTDMJ-BTOWRCTQSA-N 1 0 391.306 2.773 20 0 GFADRO CO[C@@H]1CCN(C(=O)NCc2c(C)cc(Br)cc2C)[C@H](C[NH3+])C1 ZINC000417354846 563878765 /nfs/dbraw/zinc/87/87/65/563878765.db2.gz CUNVGSQANRWCDJ-LSDHHAIUSA-N 1 0 384.318 2.714 20 0 GFADRO O=C(NCCC[NH2+]Cc1cccnc1)NCc1sccc1Br ZINC000417407375 563879314 /nfs/dbraw/zinc/87/93/14/563879314.db2.gz SSFORMWCAPKVCC-UHFFFAOYSA-N 1 0 383.315 2.885 20 0 GFADRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NCc1cc(Br)ccc1OC(F)F ZINC000417408273 563879838 /nfs/dbraw/zinc/87/98/38/563879838.db2.gz OGXNRHVNOGEMDE-SKDRFNHKSA-N 1 0 392.244 2.848 20 0 GFADRO CC[C@H]([NH3+])CNC(=O)NCC1(c2ccc(Br)cc2)CCOCC1 ZINC000417433312 563880151 /nfs/dbraw/zinc/88/01/51/563880151.db2.gz VBKQMNUVEYSETM-HNNXBMFYSA-N 1 0 384.318 2.534 20 0 GFADRO CCCN(C(=O)N[C@H]1CCN(c2ccc(Br)cc2)C1)[C@H]1CC[NH2+]C1 ZINC000417475849 563880422 /nfs/dbraw/zinc/88/04/22/563880422.db2.gz BSQZZUXGOCHIAD-RDJZCZTQSA-N 1 0 395.345 2.811 20 0 GFADRO COc1ccc(CNC(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1Br ZINC000368869796 563880473 /nfs/dbraw/zinc/88/04/73/563880473.db2.gz TWBNUBPDHLMMCJ-UONOGXRCSA-N 1 0 382.302 2.884 20 0 GFADRO C[C@H](CNC(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1)c1c(Cl)cccc1Cl ZINC000417483071 563880873 /nfs/dbraw/zinc/88/08/73/563880873.db2.gz JMCVRBDFXSBKDZ-ZIAGYGMSSA-N 1 0 385.339 2.786 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)N[C@@H](C)CCC[NH3+] ZINC000417483662 563881218 /nfs/dbraw/zinc/88/12/18/563881218.db2.gz JRKCPVGCLNOVNR-LBPRGKRZSA-N 1 0 385.306 2.513 20 0 GFADRO C[C@H](CO)[N@@H+]1CCCN(C(=O)c2cc(Br)ccc2Cl)CC1 ZINC000368971412 563882710 /nfs/dbraw/zinc/88/27/10/563882710.db2.gz BMJZXNQSOPTKTK-LLVKDONJSA-N 1 0 375.694 2.631 20 0 GFADRO C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)N1CCC[N@@H+]([C@@H](C)CO)CC1 ZINC000368959597 563883080 /nfs/dbraw/zinc/88/30/80/563883080.db2.gz XDJAMHPGHNTCNM-QWHCGFSZSA-N 1 0 375.296 2.676 20 0 GFADRO C[C@@H](Sc1nc2ccccc2s1)C(=O)N1CCC[N@@H+]([C@@H](C)CO)CC1 ZINC000368976661 563883277 /nfs/dbraw/zinc/88/32/77/563883277.db2.gz XYVGNASQVYAZKV-UONOGXRCSA-N 1 0 379.551 2.692 20 0 GFADRO Cc1cc(Br)ccc1CNC(=O)N1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000417561576 563883294 /nfs/dbraw/zinc/88/32/94/563883294.db2.gz DRRQTLXPWMEFFR-OAHLLOKOSA-N 1 0 396.329 2.654 20 0 GFADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)NC1(c2c(Cl)cccc2Cl)CCC1 ZINC000447774562 563886029 /nfs/dbraw/zinc/88/60/29/563886029.db2.gz CDNICCXKJLUUID-ZDUSSCGKSA-N 1 0 385.339 2.918 20 0 GFADRO CC[C@@H](NC(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+])c1ccc(Cl)s1 ZINC000417645433 563887011 /nfs/dbraw/zinc/88/70/11/563887011.db2.gz HBKNOQUEABPGNS-CHWSQXEVSA-N 1 0 386.949 2.882 20 0 GFADRO CC[C@@H]1Cc2c(Br)cccc2CN1C(=O)NCCOCC[NH+](C)C ZINC000447811670 563887355 /nfs/dbraw/zinc/88/73/55/563887355.db2.gz HELKQLGYGQKMJM-OAHLLOKOSA-N 1 0 398.345 2.874 20 0 GFADRO O=C(N[C@H]1CCc2c1ccc(Cl)c2Cl)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000417712907 563887547 /nfs/dbraw/zinc/88/75/47/563887547.db2.gz XSXGXWFDBNKTMD-WBMJQRKESA-N 1 0 383.323 2.670 20 0 GFADRO O=C(NCCCc1ccc(Br)cc1F)N[C@H]1C[NH2+]CCC1(F)F ZINC000417681286 563887608 /nfs/dbraw/zinc/88/76/08/563887608.db2.gz PUTFWQHWQBXVOB-ZDUSSCGKSA-N 1 0 394.235 2.817 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)NCCOc2ncc(C(F)(F)F)cc2Cl)C1 ZINC000417728539 563888153 /nfs/dbraw/zinc/88/81/53/563888153.db2.gz ASYFQRJDZFLYCS-VHSXEESVSA-N 1 0 380.798 2.511 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)NCCOc2ncc(C(F)(F)F)cc2Cl)CC[NH2+]1 ZINC000417741775 563888698 /nfs/dbraw/zinc/88/86/98/563888698.db2.gz VHFISEXYNMNPEU-KOLCDFICSA-N 1 0 380.798 2.572 20 0 GFADRO C[C@H](CNC(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1)Oc1ccc(Br)cc1 ZINC000417769409 563888744 /nfs/dbraw/zinc/88/87/44/563888744.db2.gz DOOIXMRFDHZOQV-DLTLXFJOSA-N 1 0 396.329 2.985 20 0 GFADRO C[C@H](CNC(=O)N1CCC([C@H](C)[NH3+])CC1)Oc1ccc(Br)cc1 ZINC000417782547 563889125 /nfs/dbraw/zinc/88/91/25/563889125.db2.gz YDOWHONEDUXGED-OLZOCXBDSA-N 1 0 384.318 2.985 20 0 GFADRO C[C@H](CNC(=O)N[C@@H]1C[NH2+]CCC1(F)F)Oc1cccc(Br)c1 ZINC000417786952 563889394 /nfs/dbraw/zinc/88/93/94/563889394.db2.gz FGJIYCLFOYJMFH-ZWNOBZJWSA-N 1 0 392.244 2.513 20 0 GFADRO Cc1nn(C)c(C[NH2+]CC2(N3CCOCC3)CCCCC2)c1Br ZINC000447931220 563890532 /nfs/dbraw/zinc/89/05/32/563890532.db2.gz NYWAYJHSVJJLHH-UHFFFAOYSA-N 1 0 385.350 2.616 20 0 GFADRO C[C@@H](Cc1c(Cl)cccc1Cl)NC(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000417951169 563892191 /nfs/dbraw/zinc/89/21/91/563892191.db2.gz WVMYYVLVQDRYEY-UONOGXRCSA-N 1 0 385.339 2.614 20 0 GFADRO C[C@H](Cc1cc(Br)ccc1F)NC(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000417940034 563892321 /nfs/dbraw/zinc/89/23/21/563892321.db2.gz KWLXWHMXPJAPCH-YRGRVCCFSA-N 1 0 384.293 2.770 20 0 GFADRO C[C@@H](CCN1CCOCC1)[NH2+]Cc1ccc(F)cc1I ZINC000417976078 563893552 /nfs/dbraw/zinc/89/35/52/563893552.db2.gz WVIGVKMRAJMPFB-LBPRGKRZSA-N 1 0 392.256 2.631 20 0 GFADRO COc1cc(Br)ccc1CCCNC(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000417993530 563894198 /nfs/dbraw/zinc/89/41/98/563894198.db2.gz AODGYRLJPNDNDH-LSDHHAIUSA-N 1 0 396.329 2.641 20 0 GFADRO CN(CC(C)(C)C[NH3+])C(=O)N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000417995743 563894335 /nfs/dbraw/zinc/89/43/35/563894335.db2.gz GDFUUQMCJJPWNL-AWEZNQCLSA-N 1 0 387.311 2.725 20 0 GFADRO COc1cc(Br)ccc1CCCNC(=O)NCC[C@H]1CCC[NH2+]1 ZINC000418008403 563895138 /nfs/dbraw/zinc/89/51/38/563895138.db2.gz SNUKOLUIMNEFNZ-OAHLLOKOSA-N 1 0 384.318 2.832 20 0 GFADRO COCC[NH+]1CCC(NCc2noc(-c3cccc(Br)c3)n2)CC1 ZINC000448272492 563895473 /nfs/dbraw/zinc/89/54/73/563895473.db2.gz NPFBOCOJHXEKPV-UHFFFAOYSA-N 1 0 395.301 2.700 20 0 GFADRO CCCN(C(=O)NCc1cn2cc(Br)cc(C)c2n1)[C@H]1CC[NH2+]C1 ZINC000418017880 563895619 /nfs/dbraw/zinc/89/56/19/563895619.db2.gz HUZUNIUFSFMQDL-HNNXBMFYSA-N 1 0 394.317 2.689 20 0 GFADRO CCCOC[C@@H](Cc1cccc(Br)c1)NC(=O)NCC1([NH3+])CCC1 ZINC000418031861 563896477 /nfs/dbraw/zinc/89/64/77/563896477.db2.gz OYCWMIYTWJWZGP-MRXNPFEDSA-N 1 0 398.345 2.967 20 0 GFADRO CCn1c(CNC(=O)N2CCC[C@H]([NH2+]C)C2)nc2cc(Br)ccc21 ZINC000418066322 563897452 /nfs/dbraw/zinc/89/74/52/563897452.db2.gz NMVQBNUHWVXHGE-ZDUSSCGKSA-N 1 0 394.317 2.712 20 0 GFADRO CCn1c(CNC(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)nc2cc(Br)ccc21 ZINC000418064635 563897469 /nfs/dbraw/zinc/89/74/69/563897469.db2.gz KBOBQHUCRDXHCV-DGCLKSJQSA-N 1 0 394.317 2.745 20 0 GFADRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)NCc1cnn(-c2ccc(Br)cc2)c1 ZINC000418087152 563898187 /nfs/dbraw/zinc/89/81/87/563898187.db2.gz FWZSPEJJMFTCKY-STQMWFEESA-N 1 0 392.301 2.514 20 0 GFADRO C[C@H](CCC[NH3+])NC(=O)NCc1cnn(-c2ccc(Br)cc2)c1 ZINC000418086822 563898258 /nfs/dbraw/zinc/89/82/58/563898258.db2.gz FBMSPMATTHGUIM-GFCCVEGCSA-N 1 0 380.290 2.561 20 0 GFADRO OCC1([NH2+]Cc2ccc(F)cc2I)CCSCC1 ZINC000418090192 563898677 /nfs/dbraw/zinc/89/86/77/563898677.db2.gz NIPFPSOQPQNARW-UHFFFAOYSA-N 1 0 381.254 2.778 20 0 GFADRO O=C(N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000418105447 563899016 /nfs/dbraw/zinc/89/90/16/563899016.db2.gz BAEUAZOOIGNJFP-RSUWNVLCSA-N 1 0 382.277 2.695 20 0 GFADRO Cc1ccc(Br)cc1CC(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000448628856 563899367 /nfs/dbraw/zinc/89/93/67/563899367.db2.gz UJGWMDKNJUUHQE-GASCZTMLSA-N 1 0 383.330 2.916 20 0 GFADRO CC1CC[NH+](CCNC(=O)c2ccc(I)cc2F)CC1 ZINC000448703971 563900236 /nfs/dbraw/zinc/90/02/36/563900236.db2.gz GWTBDWXJZOTVHT-UHFFFAOYSA-N 1 0 390.240 2.892 20 0 GFADRO Cc1cc(Br)cc(C)c1N1CCC[C@H](NC(=O)N2CC[C@@H]([NH3+])C2)C1 ZINC000418182038 563900736 /nfs/dbraw/zinc/90/07/36/563900736.db2.gz MYTFONDOMDOWHU-CVEARBPZSA-N 1 0 395.345 2.777 20 0 GFADRO CC[C@H](C)[N@H+](C)CCNC(=O)c1ccc(I)cc1F ZINC000448877345 563902766 /nfs/dbraw/zinc/90/27/66/563902766.db2.gz FIWBYSOQBXKKKH-JTQLQIEISA-N 1 0 378.229 2.890 20 0 GFADRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)Cc1sccc1Br ZINC000448913003 563903187 /nfs/dbraw/zinc/90/31/87/563903187.db2.gz RMNGSDPYGCBGNK-LBPRGKRZSA-N 1 0 375.332 2.622 20 0 GFADRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cccnc1-n1cc(Br)cn1 ZINC000448951162 563903779 /nfs/dbraw/zinc/90/37/79/563903779.db2.gz BJLZPCMYCLQFDO-CQSZACIVSA-N 1 0 392.301 2.634 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[N@H+](C)C[C@@H]1CCCCO1 ZINC000449020943 563905462 /nfs/dbraw/zinc/90/54/62/563905462.db2.gz RGZXBZOLINKRKW-BBRMVZONSA-N 1 0 399.329 2.963 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CNCc1cc(Br)ccc1O[C@@H](C)C(=O)NC ZINC000449058274 563906432 /nfs/dbraw/zinc/90/64/32/563906432.db2.gz HVCGMAOIOLFLIZ-XJKSGUPXSA-N 1 0 398.345 2.536 20 0 GFADRO CCOC(=O)c1cc(C[NH2+]CCS(=O)(=O)c2ccc(Cl)cc2)[nH]c1C ZINC000449101096 563906836 /nfs/dbraw/zinc/90/68/36/563906836.db2.gz TXNNNDPKVLPQND-UHFFFAOYSA-N 1 0 384.885 2.717 20 0 GFADRO C[C@H](COc1ccc(Cl)c(Cl)c1)[NH2+]C[C@@H]1CC[C@@H](C(=O)N(C)C)O1 ZINC000449200741 563907743 /nfs/dbraw/zinc/90/77/43/563907743.db2.gz FHDSGTHYOBHULQ-FFSVYQOJSA-N 1 0 375.296 2.986 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+][C@@H]1C[C@H](OC)C1(C)C ZINC000449173223 563907773 /nfs/dbraw/zinc/90/77/73/563907773.db2.gz NMERRXIOXWIJPD-XZJROXQQSA-N 1 0 399.329 2.866 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]C[C@@H]1CCC[C@@H]1OC ZINC000449212538 563908241 /nfs/dbraw/zinc/90/82/41/563908241.db2.gz ZQVFIIIQOQVEOS-XEZPLFJOSA-N 1 0 399.329 2.867 20 0 GFADRO CC(C)C[C@H]([NH2+]Cc1cccc(S(C)(=O)=O)c1)C(=O)Nc1nccs1 ZINC000449211627 563908270 /nfs/dbraw/zinc/90/82/70/563908270.db2.gz ICJSGPRDUUFGHR-HNNXBMFYSA-N 1 0 381.523 2.690 20 0 GFADRO C[C@H](C[NH2+][C@@H](C[S@@](C)=O)c1ccccc1)c1ccc(S(C)(=O)=O)cc1 ZINC000449230121 563908357 /nfs/dbraw/zinc/90/83/57/563908357.db2.gz HSPICQJFXODQMI-YOQPTCTGSA-N 1 0 379.547 2.903 20 0 GFADRO CC[C@@H](O)[C@@H](CC)[NH2+]Cc1cc(I)c(OC)c(OC)c1 ZINC000449639288 564193796 /nfs/dbraw/zinc/19/37/96/564193796.db2.gz OJELTDFVSITCGV-CHWSQXEVSA-N 1 0 393.265 2.948 20 0 GFADRO CCS(=O)(=O)C[C@H](C)[NH2+][C@H](C)CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000537979899 564179183 /nfs/dbraw/zinc/17/91/83/564179183.db2.gz AIZQJWFCELJNTB-NEPJUHHUSA-N 1 0 380.432 2.835 20 0 GFADRO CC[NH+]1CCN(CCCNC(=O)[C@@H]2CCc3cc(Br)ccc32)CC1 ZINC000563182858 564179327 /nfs/dbraw/zinc/17/93/27/564179327.db2.gz PZAYEGUHGDNORG-GOSISDBHSA-N 1 0 394.357 2.623 20 0 GFADRO CS(=O)(=O)N[C@H]1CCCC[C@@H]1C[NH2+]Cc1cccc(Br)c1F ZINC000449321173 564180735 /nfs/dbraw/zinc/18/07/35/564180735.db2.gz KZUBKXSDJSDEDF-RISCZKNCSA-N 1 0 393.322 2.786 20 0 GFADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[N@@H+]1CCC[C@H](CO)CC1 ZINC000449345201 564181635 /nfs/dbraw/zinc/18/16/35/564181635.db2.gz UPTXZDAETXXWLP-KGLIPLIRSA-N 1 0 399.329 2.557 20 0 GFADRO CCS(=O)(=O)C[C@H](C)[NH2+][C@@H](C)[C@H](OC)c1ccc(Br)cc1 ZINC000538197143 564184099 /nfs/dbraw/zinc/18/40/99/564184099.db2.gz CTHVHGVXOQELER-HUBLWGQQSA-N 1 0 378.332 2.938 20 0 GFADRO OCCCN1CCC[C@H]([NH2+]Cc2cnn(-c3ccc(Br)cc3)c2)C1 ZINC000449395980 564184329 /nfs/dbraw/zinc/18/43/29/564184329.db2.gz KMWWHIMGDKMFAZ-KRWDZBQOSA-N 1 0 393.329 2.571 20 0 GFADRO O[C@@H]1C[C@H]([C@H]2CCCOC2)[N@H+](Cc2cccc(I)c2)C1 ZINC000449429239 564185576 /nfs/dbraw/zinc/18/55/76/564185576.db2.gz ANORVXYVUBWEOY-NUEKZKHPSA-N 1 0 387.261 2.653 20 0 GFADRO CN(CC[N@H+](C)Cc1ccc(F)c(Cl)c1)c1ccc(S(N)(=O)=O)cc1 ZINC000449424667 564186017 /nfs/dbraw/zinc/18/60/17/564186017.db2.gz QGAIJBQWLPINRF-UHFFFAOYSA-N 1 0 385.892 2.695 20 0 GFADRO COc1cccc(S(=O)(=O)CC[NH2+][C@@H](C)c2ccc([S@](C)=O)cc2)c1 ZINC000538262791 564186172 /nfs/dbraw/zinc/18/61/72/564186172.db2.gz ILFUBLSCTSTCRL-BSEYFRJRSA-N 1 0 381.519 2.557 20 0 GFADRO Cc1c(Cl)cccc1-n1ccnc1SCC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000563339756 564186370 /nfs/dbraw/zinc/18/63/70/564186370.db2.gz SEUMEEPFNHIEGP-OKILXGFUSA-N 1 0 376.913 2.604 20 0 GFADRO CCOc1cc(C[NH2+]C[C@H]2CCOC[C@H]2OC)cc(Br)c1OC ZINC000449455186 564186831 /nfs/dbraw/zinc/18/68/31/564186831.db2.gz LCXHJAFKWKQCRC-CZUORRHYSA-N 1 0 388.302 2.998 20 0 GFADRO O[C@@H]1C[C@@H]([C@H]2CCCOC2)[N@H+](Cc2ccc(I)cc2)C1 ZINC000449434636 564186939 /nfs/dbraw/zinc/18/69/39/564186939.db2.gz RXMHHRACPXWWOC-IMJJTQAJSA-N 1 0 387.261 2.653 20 0 GFADRO COc1cc(Br)c(C[N@@H+]2C[C@H](O)C[C@H]2[C@@H]2CCCOC2)cc1O ZINC000449434222 564186997 /nfs/dbraw/zinc/18/69/97/564186997.db2.gz PYQZXBGPGUAAEF-KYOSRNDESA-N 1 0 386.286 2.525 20 0 GFADRO CC[C@H](CNS(C)(=O)=O)[NH2+]Cc1cc(Br)c(Cl)s1 ZINC000449442117 564187142 /nfs/dbraw/zinc/18/71/42/564187142.db2.gz JPZQYJZEKJVXCX-SSDOTTSWSA-N 1 0 375.741 2.581 20 0 GFADRO C[C@H]1CC(C)(C)C[C@@](CO)([NH2+]CC(=O)Nc2ccc(Br)cn2)C1 ZINC000471158718 564187212 /nfs/dbraw/zinc/18/72/12/564187212.db2.gz AHBUDIXGSCMLGX-SJCJKPOMSA-N 1 0 384.318 2.950 20 0 GFADRO Cc1nc2ccc(Br)cn2c1C(=O)N1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000505666606 564187566 /nfs/dbraw/zinc/18/75/66/564187566.db2.gz WNAPAYPTNOCBQE-SFHVURJKSA-N 1 0 391.313 2.963 20 0 GFADRO CO[C@@H]1COCC[C@H]1C[NH2+][C@H](C)CC(=O)Nc1cccc(Br)c1 ZINC000449463089 564188107 /nfs/dbraw/zinc/18/81/07/564188107.db2.gz WGNPAXVNJTWEOJ-DVOMOZLQSA-N 1 0 385.302 2.807 20 0 GFADRO CO[C@@H]1COCC[C@@H]1C[NH2+]Cc1ncc(Br)cc1Br ZINC000449463506 564188138 /nfs/dbraw/zinc/18/81/38/564188138.db2.gz XBZHWVWGVQNSRG-NOZJJQNGSA-N 1 0 394.107 2.748 20 0 GFADRO CCOC(=O)C1(O)CC[NH+](CCC(=O)Nc2c(Cl)cccc2Cl)CC1 ZINC000471179485 564188438 /nfs/dbraw/zinc/18/84/38/564188438.db2.gz XLHXKSPUDNAHBC-UHFFFAOYSA-N 1 0 389.279 2.712 20 0 GFADRO CCCN(CCC[NH+](C)C)C(=O)C(=O)Nc1cccc(C)c1Br ZINC000471198228 564188990 /nfs/dbraw/zinc/18/89/90/564188990.db2.gz CUDFKTPZAZFEOI-UHFFFAOYSA-N 1 0 384.318 2.886 20 0 GFADRO C[C@H]1C[C@@H](C(=O)NCCc2ccc(I)s2)CC[N@@H+]1C ZINC000538346457 564189219 /nfs/dbraw/zinc/18/92/19/564189219.db2.gz RRLOBVKUVBJLSY-QWRGUYRKSA-N 1 0 392.306 2.742 20 0 GFADRO CC[NH+](CC)CC[C@H](CO)NC(=O)c1c[nH]c2cccc(Br)c21 ZINC000563392455 564189447 /nfs/dbraw/zinc/18/94/47/564189447.db2.gz LJMUXKUBHRNKTM-GFCCVEGCSA-N 1 0 382.302 2.753 20 0 GFADRO COc1cccc(C[NH2+]C[C@H](CO)Cc2ccc(OC)c(Br)c2)n1 ZINC000449597201 564190842 /nfs/dbraw/zinc/19/08/42/564190842.db2.gz DLMPTTOMXPUKSU-CQSZACIVSA-N 1 0 395.297 2.802 20 0 GFADRO COc1ccc(C[C@H](CO)C[NH2+][C@H]2CN(C3CC3)C[C@@H]2C)cc1Br ZINC000449598985 564191022 /nfs/dbraw/zinc/19/10/22/564191022.db2.gz JSXGNGAAAXBMMQ-YEWWUXTCSA-N 1 0 397.357 2.681 20 0 GFADRO Cc1ccc(C[C@@H](CO)C[NH2+]Cc2ccc(C(N)=O)cc2)cc1Br ZINC000449601371 564191902 /nfs/dbraw/zinc/19/19/02/564191902.db2.gz RGYSKLJHNMCJBF-MRXNPFEDSA-N 1 0 391.309 2.797 20 0 GFADRO Cc1nc(NC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)sc1C(F)(F)F ZINC000563470004 564192088 /nfs/dbraw/zinc/19/20/88/564192088.db2.gz XPKASJCHOGQEST-LLVKDONJSA-N 1 0 380.436 2.949 20 0 GFADRO Cn1ncc(Cl)c1C[NH2+]C[C@@H](CO)Cc1cc(Br)ccc1F ZINC000449605325 564192229 /nfs/dbraw/zinc/19/22/29/564192229.db2.gz YZTCGBOWHDLDQS-JTQLQIEISA-N 1 0 390.684 2.916 20 0 GFADRO C[C@H]1OCC[C@H]1[N@H+](CCO)Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000449677311 564194567 /nfs/dbraw/zinc/19/45/67/564194567.db2.gz MHPSPTXZSKAXGY-CXAGYDPISA-N 1 0 380.286 2.607 20 0 GFADRO C[C@H](Cc1ccccc1Br)NC(=O)NCCNc1cc[nH+]cc1 ZINC000471560343 564197836 /nfs/dbraw/zinc/19/78/36/564197836.db2.gz VWOTXWMXPMLOTN-CYBMUJFWSA-N 1 0 377.286 2.608 20 0 GFADRO CCOc1c(Br)cc(C(=O)N[C@@H]2CC[NH2+]CC2(C)C)cc1OC ZINC000449702704 564197949 /nfs/dbraw/zinc/19/79/49/564197949.db2.gz UZOSDILDLXXVAI-CQSZACIVSA-N 1 0 385.302 2.974 20 0 GFADRO Cc1c(I)cccc1C(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000449714072 564198112 /nfs/dbraw/zinc/19/81/12/564198112.db2.gz BJTXJTQRDNOJPW-JTQLQIEISA-N 1 0 386.155 2.609 20 0 GFADRO [NH3+]CC[C@@H](NC(=O)CCOc1ccc(Br)cc1F)C(F)(F)F ZINC000449724587 564198653 /nfs/dbraw/zinc/19/86/53/564198653.db2.gz HSDHQAYMTIGIST-LLVKDONJSA-N 1 0 387.171 2.753 20 0 GFADRO Cc1ccc(I)c(C(=O)N[C@@H](CC[NH3+])C(F)(F)F)c1 ZINC000449720538 564198720 /nfs/dbraw/zinc/19/87/20/564198720.db2.gz NFCGXZIMVXKWAB-JTQLQIEISA-N 1 0 386.155 2.609 20 0 GFADRO O=C(NC[C@@H]1C[NH2+]CCCO1)N1CCC[C@H]1c1cccc(Br)c1 ZINC000563609806 564199286 /nfs/dbraw/zinc/19/92/86/564199286.db2.gz SGGBHTCJPHATAS-HOTGVXAUSA-N 1 0 382.302 2.674 20 0 GFADRO CCS(=O)(=O)c1ccc(CNC(=O)NC[C@H](C)[N@@H+]2CCCC[C@H]2C)s1 ZINC000471621358 564200381 /nfs/dbraw/zinc/20/03/81/564200381.db2.gz VWAHXCQHTYXXML-KGLIPLIRSA-N 1 0 387.571 2.604 20 0 GFADRO NS(=O)(=O)CC1CC[NH+]([C@@H]2CCCc3ccc(Br)cc32)CC1 ZINC000538782355 564201300 /nfs/dbraw/zinc/20/13/00/564201300.db2.gz IMOWAPONLVYDAK-MRXNPFEDSA-N 1 0 387.343 2.827 20 0 GFADRO C[C@@H]1C[N@H+](CCO)CCN1Cc1csc(COc2ccc(Cl)cc2)n1 ZINC000449787741 564201817 /nfs/dbraw/zinc/20/18/17/564201817.db2.gz WGGSUKCLQPFRGT-CQSZACIVSA-N 1 0 381.929 2.874 20 0 GFADRO CN(C)C(=O)CC[NH+]1CCN(c2ccnc3ccc(Br)cc32)CC1 ZINC000471692074 564202398 /nfs/dbraw/zinc/20/23/98/564202398.db2.gz GJHBUZDSXSNXLL-UHFFFAOYSA-N 1 0 391.313 2.598 20 0 GFADRO CN1CC[C@H](NC(=O)c2csc(CC[NH3+])n2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000563713480 564203301 /nfs/dbraw/zinc/20/33/01/564203301.db2.gz MUFDIGQOWFWQGP-BBRMVZONSA-N 1 0 382.892 2.612 20 0 GFADRO O=C(Cc1cccc(I)c1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000471774192 564204306 /nfs/dbraw/zinc/20/43/06/564204306.db2.gz VCZPLWHTZKBZID-MRXNPFEDSA-N 1 0 398.288 2.921 20 0 GFADRO CC[NH+]1C[C@H](C)N(C(=O)c2c(F)cccc2I)[C@@H](C)C1 ZINC000563746428 564205148 /nfs/dbraw/zinc/20/51/48/564205148.db2.gz GGHVUVOMDBGIGU-QWRGUYRKSA-N 1 0 390.240 2.985 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)c1cc(I)ccc1Cl ZINC000471806572 564205198 /nfs/dbraw/zinc/20/51/98/564205198.db2.gz ZMARHUFVVDJSNP-SNVBAGLBSA-N 1 0 390.652 2.911 20 0 GFADRO C[NH+](C)C1(CNC(=O)[C@@H]2C[C@H]2c2ccc(Br)cc2)CCOCC1 ZINC000449858788 564206966 /nfs/dbraw/zinc/20/69/66/564206966.db2.gz FNNJMFYXSGEOQH-JKSUJKDBSA-N 1 0 381.314 2.780 20 0 GFADRO CC(C)N1C[C@@H]([NH2+][C@H](C)CC(=O)Nc2cccc(Br)c2)CC1=O ZINC000539083026 564208613 /nfs/dbraw/zinc/20/86/13/564208613.db2.gz LIMYAICORXEJTQ-DOMZBBRYSA-N 1 0 382.302 2.765 20 0 GFADRO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@@H]1CC(=O)N([C@@H]2C[C@@H]2C)C1 ZINC000539086975 564209519 /nfs/dbraw/zinc/20/95/19/564209519.db2.gz GHLZHNRNZVOOGV-UAXWRAGISA-N 1 0 394.313 2.765 20 0 GFADRO COc1cc(Cl)c(S(=O)(=O)NCCCCC[NH+]2CCCC2)cc1OC ZINC000563873156 564211031 /nfs/dbraw/zinc/21/10/31/564211031.db2.gz KDDMNVCYZQZHHD-UHFFFAOYSA-N 1 0 390.933 2.902 20 0 GFADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)CCOc1ccc(Cl)c(Cl)c1 ZINC000472083454 564212137 /nfs/dbraw/zinc/21/21/37/564212137.db2.gz LWXDJCRJIWYZER-CQSZACIVSA-N 1 0 388.339 2.905 20 0 GFADRO CCC[N@H+](CC)CCNC(=O)[C@@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000472220314 564217329 /nfs/dbraw/zinc/21/73/29/564217329.db2.gz IRXNAHRJZKGMOC-CQSZACIVSA-N 1 0 396.329 2.650 20 0 GFADRO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)[C@@H]2Cc3cc(Br)ccc3O2)C1 ZINC000472257059 564218179 /nfs/dbraw/zinc/21/81/79/564218179.db2.gz LXXDSLCAFBVXLX-KSSFIOAISA-N 1 0 393.325 2.943 20 0 GFADRO Cc1ccc(Br)cc1CC(=O)NCC1(O)CC[NH+](C(C)C)CC1 ZINC000450122573 564218489 /nfs/dbraw/zinc/21/84/89/564218489.db2.gz PWHLZAXSDQHPCC-UHFFFAOYSA-N 1 0 383.330 2.652 20 0 GFADRO C[C@@H](CNC(=O)Nc1ccncc1Br)[N@@H+]1CCc2ccccc2C1 ZINC000507158724 564220106 /nfs/dbraw/zinc/22/01/06/564220106.db2.gz JQZPAKFSJKCDJB-ZDUSSCGKSA-N 1 0 389.297 2.834 20 0 GFADRO C[N@H+]1CC=C(CNC(=O)c2ccc(S(=O)(=O)c3ccccc3)s2)CC1 ZINC000539439616 564220305 /nfs/dbraw/zinc/22/03/05/564220305.db2.gz LZLOMRDHIFIQAR-UHFFFAOYSA-N 1 0 376.503 2.573 20 0 GFADRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000450231388 564223094 /nfs/dbraw/zinc/22/30/94/564223094.db2.gz JLAPBNFGLRUBOA-IXDOHACOSA-N 1 0 381.314 2.516 20 0 GFADRO O=C(NC1(c2cccc(Br)c2)CCOCC1)[C@H]1C[C@]12CC[NH2+]C2 ZINC000564212947 564224832 /nfs/dbraw/zinc/22/48/32/564224832.db2.gz ZDCTWBPCMNWVOE-WBVHZDCISA-N 1 0 379.298 2.571 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2C(=O)Cc1sccc1Br ZINC000450293389 564225985 /nfs/dbraw/zinc/22/59/85/564225985.db2.gz XHBNKNQIQGUPSU-XBFCOCLRSA-N 1 0 387.343 2.763 20 0 GFADRO CS(=O)(=O)N(CC(F)(F)F)C1CC[NH+](C[C@H]2CCC(F)(F)C2)CC1 ZINC000450403686 564231670 /nfs/dbraw/zinc/23/16/70/564231670.db2.gz LUIMIJDABWZEKO-NSHDSACASA-N 1 0 378.407 2.710 20 0 GFADRO CC[NH+](CC)CC[C@@H](CO)NC(=O)[C@H](C)Oc1cccc(Cl)c1Cl ZINC000539920926 564232282 /nfs/dbraw/zinc/23/22/82/564232282.db2.gz QJHBARRWWOJUSP-STQMWFEESA-N 1 0 377.312 2.970 20 0 GFADRO CSc1ccc(C[NH2+]C[C@@H](O)COc2ccc3c(c2)CCC(=O)N3)s1 ZINC000564407977 564232286 /nfs/dbraw/zinc/23/22/86/564232286.db2.gz QRXRYRFTXSKXQW-CYBMUJFWSA-N 1 0 378.519 2.884 20 0 GFADRO CC[NH+](CC)CC[C@H](CO)NC(=O)c1ccc(Br)cc1Cl ZINC000539920109 564232463 /nfs/dbraw/zinc/23/24/63/564232463.db2.gz FEBVYNGKRVBYPS-GFCCVEGCSA-N 1 0 377.710 2.925 20 0 GFADRO Cc1ccc(Br)cc1C[N@@H+](C)C1CCN(S(C)(=O)=O)CC1 ZINC000450482085 564234518 /nfs/dbraw/zinc/23/45/18/564234518.db2.gz FVLPEPIYACDIDQ-UHFFFAOYSA-N 1 0 375.332 2.613 20 0 GFADRO O=C1CC[C@@H](C[NH+]2CCN(Cc3ccc(Br)c(F)c3)CC2)CCN1 ZINC000450503809 564235726 /nfs/dbraw/zinc/23/57/26/564235726.db2.gz SNFWTALEFRRDEC-CQSZACIVSA-N 1 0 398.320 2.622 20 0 GFADRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)C(=O)Nc1cc(F)ccc1Br ZINC000507631977 564236384 /nfs/dbraw/zinc/23/63/84/564236384.db2.gz PCZGEPTZEZOENE-AAEUAGOBSA-N 1 0 398.276 2.612 20 0 GFADRO CN(C(=O)N[C@@H]1COc2cc(F)c(Br)cc21)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000564551903 564238496 /nfs/dbraw/zinc/23/84/96/564238496.db2.gz FCTWLSJTSKBLTP-GTHQTRTESA-N 1 0 398.276 2.946 20 0 GFADRO Cc1c(C(=O)N[C@@H](C)C[N@H+](C)C(C)C)nnn1-c1cccc(Br)c1 ZINC000564545114 564238509 /nfs/dbraw/zinc/23/85/09/564238509.db2.gz AGFFQVYXBIMDNW-LBPRGKRZSA-N 1 0 394.317 2.797 20 0 GFADRO CCOC(=O)c1nn(C)cc1C[NH2+]C[C@@H](C)Oc1cccc(Br)c1 ZINC000473123386 564240246 /nfs/dbraw/zinc/24/02/46/564240246.db2.gz YIVBIUYFEOVKCI-GFCCVEGCSA-N 1 0 396.285 2.916 20 0 GFADRO Cc1nc(Cc2ccccc2)sc1[C@@H](C)[NH2+]C[C@@H]1CS(=O)(=O)CCO1 ZINC000540153184 564240733 /nfs/dbraw/zinc/24/07/33/564240733.db2.gz JHGFKWLNLRZZMK-CZUORRHYSA-N 1 0 380.535 2.507 20 0 GFADRO CC(C)[N@@H+]1CCCC[C@H]1CN1CCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000450753988 564246743 /nfs/dbraw/zinc/24/67/43/564246743.db2.gz CJWNVQVQRQMMOS-ZDUSSCGKSA-N 1 0 377.480 2.942 20 0 GFADRO O[C@H](C[NH2+][C@H](c1ccc(Br)cc1)C1CCC1)CN1CCOCC1 ZINC000540380215 564246786 /nfs/dbraw/zinc/24/67/86/564246786.db2.gz MNCUAHCKDDJLNW-MSOLQXFVSA-N 1 0 383.330 2.573 20 0 GFADRO COCCOC[C@H](O)C[NH+]1CCC(c2ccc(Br)c(C)c2)CC1 ZINC000450779150 564247618 /nfs/dbraw/zinc/24/76/18/564247618.db2.gz MWQXLVVQYGXYDZ-QGZVFWFLSA-N 1 0 386.330 2.961 20 0 GFADRO Cc1sc(Br)c(C(=O)N2CCC[N@@H+]([C@@H](C)CO)CC2)c1C ZINC000508016033 564250988 /nfs/dbraw/zinc/25/09/88/564250988.db2.gz RGVUWTVMMHOZEL-JTQLQIEISA-N 1 0 375.332 2.656 20 0 GFADRO COc1ccc(NC(=O)N[C@H](C)CC[NH+]2CCN(C)CC2)cc1Br ZINC000473684725 564252851 /nfs/dbraw/zinc/25/28/51/564252851.db2.gz WUHJDWDLECQNCR-CYBMUJFWSA-N 1 0 399.333 2.605 20 0 GFADRO Fc1ccc(I)c(F)c1C[NH2+]CCCn1ccnc1 ZINC000474456759 564279402 /nfs/dbraw/zinc/27/94/02/564279402.db2.gz FZRJMNVOUMFXHY-UHFFFAOYSA-N 1 0 377.176 2.946 20 0 GFADRO CC[N@@H+]1CCC[C@H](CNS(=O)(=O)c2ccc(F)cc2Br)C1 ZINC000508102224 564254858 /nfs/dbraw/zinc/25/48/58/564254858.db2.gz CRSWAHAZXIEAFW-LLVKDONJSA-N 1 0 379.295 2.598 20 0 GFADRO O=C1N=NC(C2CC[NH+](C[C@@H](O)COc3c(Cl)cccc3Cl)CC2)O1 ZINC000450910558 564254902 /nfs/dbraw/zinc/25/49/02/564254902.db2.gz ASUKSYHFRFMLDH-LLVKDONJSA-N 1 0 388.251 2.701 20 0 GFADRO C[C@H](C[C@H](C)[NH3+])NC(=O)N[C@@H](C)c1cc2c(cc1Br)OCCO2 ZINC000564938897 564258150 /nfs/dbraw/zinc/25/81/50/564258150.db2.gz VWUPLMOFIVRJJD-AXFHLTTASA-N 1 0 386.290 2.706 20 0 GFADRO CCC[C@@H]1C[NH2+]CCN1C(=O)CNC(=O)c1sc2ccccc2c1Cl ZINC000564950834 564258816 /nfs/dbraw/zinc/25/88/16/564258816.db2.gz XAGINARCQOGDPL-GFCCVEGCSA-N 1 0 379.913 2.885 20 0 GFADRO COc1c(O)cccc1C[NH2+]CCNC(=O)c1ccc(Br)cc1 ZINC000540916141 564260471 /nfs/dbraw/zinc/26/04/71/564260471.db2.gz OOKOTKNJFQIWEG-UHFFFAOYSA-N 1 0 379.254 2.683 20 0 GFADRO C[C@](CO)([NH2+]C[C@H](O)COc1c(Cl)cccc1Cl)c1cccc(O)c1 ZINC000451039216 564266105 /nfs/dbraw/zinc/26/61/05/564266105.db2.gz OXGGEZZKQBEGDJ-KBXCAEBGSA-N 1 0 386.275 2.936 20 0 GFADRO C[N@@H+]1CCCC[C@@H]1CCC(=O)NC[C@H](CO)Cc1cccc(Br)c1 ZINC000508577324 564266742 /nfs/dbraw/zinc/26/67/42/564266742.db2.gz KUELGGBGHNMAGW-SJLPKXTDSA-N 1 0 397.357 2.981 20 0 GFADRO CC[NH+](CC)[C@H](C)CNS(=O)(=O)Cc1ccc(Br)c(F)c1 ZINC000451048990 564267569 /nfs/dbraw/zinc/26/75/69/564267569.db2.gz XXKQNVQITOZTGI-LLVKDONJSA-N 1 0 381.311 2.738 20 0 GFADRO C[C@@H]1CN(c2cccc(Cl)c2)CC[N@@H+]1C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000565170352 564268396 /nfs/dbraw/zinc/26/83/96/564268396.db2.gz ITLOHNMGCLJQAH-HZPDHXFCSA-N 1 0 385.961 2.522 20 0 GFADRO CC(C)[C@H](Oc1ccccc1Br)C(=O)NCC[N@@H+]1CCCOCC1 ZINC000474301101 564273427 /nfs/dbraw/zinc/27/34/27/564273427.db2.gz FXOLOOPRUGVZIB-KRWDZBQOSA-N 1 0 399.329 2.691 20 0 GFADRO C[C@H]1CCN(C(=O)c2cnc(Sc3nccn3C)c(Cl)c2)C[C@@H]1C[NH3+] ZINC000565303699 564275127 /nfs/dbraw/zinc/27/51/27/564275127.db2.gz XQOABDQBJNXWJH-AAEUAGOBSA-N 1 0 379.917 2.677 20 0 GFADRO C[NH+](C)CC[C@@H](NS(=O)(=O)c1ccc(OCC(F)F)cc1)C(C)(C)C ZINC000541323119 564275423 /nfs/dbraw/zinc/27/54/23/564275423.db2.gz DYGPTCOFQQTPSV-OAHLLOKOSA-N 1 0 378.485 2.975 20 0 GFADRO CC(C)(Cc1ccc(Br)cc1)[NH2+]Cc1nnnn1C1CCOCC1 ZINC000565341284 564276970 /nfs/dbraw/zinc/27/69/70/564276970.db2.gz PFCFQYWNJRBFJV-UHFFFAOYSA-N 1 0 394.317 2.898 20 0 GFADRO CCOC(=O)C[C@@H](NC(=O)[C@H]1CC[N@H+](C)C1)c1cccc(Br)c1 ZINC000541441613 564279048 /nfs/dbraw/zinc/27/90/48/564279048.db2.gz IVMLITCRCSHSER-DZGCQCFKSA-N 1 0 383.286 2.511 20 0 GFADRO COC(=O)c1ccc(S(=O)(=O)N(CCC[NH3+])CC2CCCC2)c(Cl)c1 ZINC000565422305 564280109 /nfs/dbraw/zinc/28/01/09/564280109.db2.gz MMWDRQLTYYEKQQ-UHFFFAOYSA-N 1 0 388.917 2.656 20 0 GFADRO CC(C)OCC[C@@H](O)C[NH2+][C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000565535545 564285371 /nfs/dbraw/zinc/28/53/71/564285371.db2.gz NSYICXMWYAFBAL-CJNGLKHVSA-N 1 0 375.296 2.864 20 0 GFADRO CCC[C@H]1C[NH2+]CCN1C(=O)C[C@@H](NC(C)=O)c1ccc(Br)cc1 ZINC000565539711 564285683 /nfs/dbraw/zinc/28/56/83/564285683.db2.gz KOSSQVFTJCXFGI-DLBZAZTESA-N 1 0 396.329 2.617 20 0 GFADRO CC[N@@H+]1CCC[C@H](CNC(=O)Cc2ccccc2I)C1 ZINC000541721790 564287048 /nfs/dbraw/zinc/28/70/48/564287048.db2.gz KONBQWKPUFKINN-CYBMUJFWSA-N 1 0 386.277 2.682 20 0 GFADRO CCOCCC[N@@H+]1CC[C@@H](NS(=O)(=O)c2sccc2Cl)[C@@H](C)C1 ZINC000451211049 564287396 /nfs/dbraw/zinc/28/73/96/564287396.db2.gz SPPZNZJSQFBPBU-GXTWGEPZSA-N 1 0 380.963 2.817 20 0 GFADRO O=C(N[C@@H]1CCC[NH2+]C1)N[C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O ZINC000565588588 564287401 /nfs/dbraw/zinc/28/74/01/564287401.db2.gz LKQYQXPBMQBRHN-TZMCWYRMSA-N 1 0 385.295 2.540 20 0 GFADRO CS[C@@H](CO)[C@@H](C)[NH2+]Cc1c(F)ccc(I)c1F ZINC000474815610 564290330 /nfs/dbraw/zinc/29/03/30/564290330.db2.gz JIHDMLZIWFCMSG-HQJQHLMTSA-N 1 0 387.233 2.771 20 0 GFADRO C[C@H]([NH2+]CCS(=O)(=O)NC[C@@H]1CCCCO1)[C@@H](C)c1ccc(Cl)cc1 ZINC000474804534 564290157 /nfs/dbraw/zinc/29/01/57/564290157.db2.gz ACKNZERYCNLHRR-VKJFTORMSA-N 1 0 388.961 2.910 20 0 GFADRO COC[C@@H](CCO)[NH2+][C@H](C)CCc1ccc(I)cc1 ZINC000474810616 564290455 /nfs/dbraw/zinc/29/04/55/564290455.db2.gz PPWAQTITBRFFRY-IUODEOHRSA-N 1 0 377.266 2.599 20 0 GFADRO CC[C@H](C)[N@H+](C)CCNC(=O)c1cc(I)ccc1F ZINC000474859785 564290935 /nfs/dbraw/zinc/29/09/35/564290935.db2.gz NDINTEUZINDONX-JTQLQIEISA-N 1 0 378.229 2.890 20 0 GFADRO CC[NH+](CC)CCN(C(=O)COC(F)F)c1ccc(Br)cn1 ZINC000565719559 564293032 /nfs/dbraw/zinc/29/30/32/564293032.db2.gz LMHCFZFFVWEEHP-UHFFFAOYSA-N 1 0 380.233 2.758 20 0 GFADRO CC(C)OCC[NH+]1CCC(NS(=O)(=O)C[C@H]2CCCCC2(F)F)CC1 ZINC000451279046 564294577 /nfs/dbraw/zinc/29/45/77/564294577.db2.gz QCFAIYTUMCWFOE-OAHLLOKOSA-N 1 0 382.517 2.621 20 0 GFADRO C[C@@H](CO)[N@@H+]1CCCN(C(=O)c2c(Cl)cc(F)cc2Br)CC1 ZINC000451279509 564295172 /nfs/dbraw/zinc/29/51/72/564295172.db2.gz XIXDBTGQGMYDIU-JTQLQIEISA-N 1 0 393.684 2.770 20 0 GFADRO CN(C)c1ccccc1C[NH2+]CCNS(=O)(=O)c1ccc(F)cc1Cl ZINC000509401080 564296741 /nfs/dbraw/zinc/29/67/41/564296741.db2.gz GXLNWIUTUBHGNC-UHFFFAOYSA-N 1 0 385.892 2.613 20 0 GFADRO CN(C(=O)NCc1nc2c(cccc2Br)[nH]1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000565818699 564296798 /nfs/dbraw/zinc/29/67/98/564296798.db2.gz AAWJQXGWOFOFTI-LBPRGKRZSA-N 1 0 392.301 2.704 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S(=O)(=O)CC[NH2+]C[C@@H]1CC[C@H](C)C1 ZINC000565829087 564297882 /nfs/dbraw/zinc/29/78/82/564297882.db2.gz UCLNULNGQPSMGC-JKSUJKDBSA-N 1 0 387.567 2.670 20 0 GFADRO COC(=O)[C@H]1CC[N@H+](Cc2ccc(Br)cc2N2CCOCC2)[C@@H]1C ZINC000475126926 564300430 /nfs/dbraw/zinc/30/04/30/564300430.db2.gz AGUOMGVDPVQVIX-CJNGLKHVSA-N 1 0 397.313 2.669 20 0 GFADRO CN(C)S(=O)(=O)c1ccc(C[N@H+](C)[C@@H](CO)c2ccc(Cl)cc2)cc1 ZINC000451326161 564300922 /nfs/dbraw/zinc/30/09/22/564300922.db2.gz CMXKMPRYZPIUFB-SFHVURJKSA-N 1 0 382.913 2.756 20 0 GFADRO CC[C@H](C)[NH2+][C@@H](CNC(=O)NCCn1cc(Br)cn1)c1ccco1 ZINC000509596821 564305241 /nfs/dbraw/zinc/30/52/41/564305241.db2.gz UYXHHXMOFIQBAB-JSGCOSHPSA-N 1 0 398.305 2.667 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2ccc(OCC(F)F)cc2)C[C@H]1C ZINC000542269022 564308413 /nfs/dbraw/zinc/30/84/13/564308413.db2.gz YJHOTSZFNNWYGE-ZIAGYGMSSA-N 1 0 376.469 2.824 20 0 GFADRO O=C(COC1CC[NH2+]CC1)N[C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1 ZINC000566092269 564308471 /nfs/dbraw/zinc/30/84/71/564308471.db2.gz XDXCUKUSJJTITA-CQSZACIVSA-N 1 0 386.323 2.847 20 0 GFADRO O=S1(=O)CCC(O)(C[NH2+]CCSCc2ccc(Cl)cc2Cl)CC1 ZINC000566113583 564310287 /nfs/dbraw/zinc/31/02/87/564310287.db2.gz QSPRNNLEFODSLK-UHFFFAOYSA-N 1 0 398.377 2.756 20 0 GFADRO O[C@H](C[NH2+]Cc1cnc(C2CC2)o1)COc1cc(F)cc(Br)c1 ZINC000566121269 564310633 /nfs/dbraw/zinc/31/06/33/564310633.db2.gz CIQWWOABOXGVBD-CYBMUJFWSA-N 1 0 385.233 2.983 20 0 GFADRO CCCN(CC)C[C@H](C)[NH2+]CCS(=O)(=O)c1cccc(Br)c1 ZINC000566129968 564311494 /nfs/dbraw/zinc/31/14/94/564311494.db2.gz KITXUCXCKUQOLO-AWEZNQCLSA-N 1 0 391.375 2.933 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)[C@@H]1C ZINC000509742822 564311559 /nfs/dbraw/zinc/31/15/59/564311559.db2.gz MOYSWRHYGGDLAQ-XJKSGUPXSA-N 1 0 394.313 2.781 20 0 GFADRO CC[N@@H+]1CCC[C@@H](CNC(=O)COc2ccc(Br)cc2C(C)=O)C1 ZINC000509836494 564314557 /nfs/dbraw/zinc/31/45/57/564314557.db2.gz GDQUGHPNFQFMPW-AWEZNQCLSA-N 1 0 397.313 2.879 20 0 GFADRO Cc1ncsc1CCS(=O)(=O)N[C@@H](C)[C@@H](c1ccccc1C)[NH+](C)C ZINC000451453668 564314988 /nfs/dbraw/zinc/31/49/88/564314988.db2.gz OGWSBSYNWQYUQE-YJBOKZPZSA-N 1 0 381.567 2.913 20 0 GFADRO C[C@@]([NH3+])(C(=O)N1CC[C@H](C2CCOCC2)C1)c1ccc(Br)cc1 ZINC000566191683 564315170 /nfs/dbraw/zinc/31/51/70/564315170.db2.gz TVMKJVQDYGDSBX-KSSFIOAISA-N 1 0 381.314 2.898 20 0 GFADRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)c2cn3ccc(Br)cc3n2)C1 ZINC000509845304 564315591 /nfs/dbraw/zinc/31/55/91/564315591.db2.gz ANLVHASQGHKDCO-CYBMUJFWSA-N 1 0 379.302 2.947 20 0 GFADRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)c2cn3ccc(Br)cc3n2)C1 ZINC000509845305 564315795 /nfs/dbraw/zinc/31/57/95/564315795.db2.gz ANLVHASQGHKDCO-ZDUSSCGKSA-N 1 0 379.302 2.947 20 0 GFADRO CN(CCC[NH+](C)C)C(=O)C(=O)Nc1ccc(OC(F)(F)F)c(Cl)c1 ZINC000566204432 564316161 /nfs/dbraw/zinc/31/61/61/564316161.db2.gz XXFXWKLFEJGNAQ-UHFFFAOYSA-N 1 0 381.782 2.587 20 0 GFADRO C[C@H]1C[N@H+](CCCNS(=O)(=O)C2CCC(C(F)(F)F)CC2)CCCO1 ZINC000451465477 564316192 /nfs/dbraw/zinc/31/61/92/564316192.db2.gz PMCHEDVJADDGID-NFOMZHRRSA-N 1 0 386.480 2.528 20 0 GFADRO CN(C1CC[NH2+]CC1)S(=O)(=O)Cc1ccc(Cl)cc1Br ZINC000566619229 564335487 /nfs/dbraw/zinc/33/54/87/564335487.db2.gz CVMQJTXOUYCBJX-UHFFFAOYSA-N 1 0 381.723 2.616 20 0 GFADRO C[C@@H]1C[C@H](C)[C@H](C)[N@H+](CC(=O)NCC(=O)Nc2ccccc2Br)C1 ZINC000475733524 564316874 /nfs/dbraw/zinc/31/68/74/564316874.db2.gz UGPWELQLGSOMRK-RDBSUJKOSA-N 1 0 396.329 2.870 20 0 GFADRO NC(=O)[C@@H]1CCC[C@H]([NH2+]Cc2ncc(Br)cc2Br)C1 ZINC000542517193 564317558 /nfs/dbraw/zinc/31/75/58/564317558.db2.gz QEVSBDQZYXYFEW-SCZZXKLOSA-N 1 0 391.107 2.740 20 0 GFADRO C[C@@H]1CCCC[C@@]1(C[NH3+])NS(=O)(=O)Cc1cccc(Br)c1 ZINC000566225612 564318281 /nfs/dbraw/zinc/31/82/81/564318281.db2.gz YNWBGOZHIRLAHW-DOMZBBRYSA-N 1 0 375.332 2.776 20 0 GFADRO Cc1nc(-c2ccccc2Br)sc1[C@H](C)[NH2+]CC(=O)NC(N)=O ZINC000542568053 564318517 /nfs/dbraw/zinc/31/85/17/564318517.db2.gz IJBVBNULYCETRZ-QMMMGPOBSA-N 1 0 397.298 2.727 20 0 GFADRO [NH3+][C@@H](Cc1ccccc1)[C@@H](O)CN[C@@H]1CCOc2c(Br)cccc21 ZINC000566245429 564318760 /nfs/dbraw/zinc/31/87/60/564318760.db2.gz RSHNFWPTMGDUDN-KSZLIROESA-N 1 0 391.309 2.793 20 0 GFADRO O=C1NCC[C@H]1CC[NH2+][C@H](CO)c1ccc(Br)cc1C(F)(F)F ZINC000566417634 564326741 /nfs/dbraw/zinc/32/67/41/564326741.db2.gz SFEOMTQTEIKNKI-NOZJJQNGSA-N 1 0 395.219 2.617 20 0 GFADRO COC(=O)[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1ccc(Br)cc1F ZINC000451590544 564329287 /nfs/dbraw/zinc/32/92/87/564329287.db2.gz YUAUYPSUCCIGHG-YPMHNXCESA-N 1 0 387.249 2.848 20 0 GFADRO C[NH+](C)C[C@@H]1CCCN1C(=O)c1cc(F)ccc1I ZINC000476189853 564329412 /nfs/dbraw/zinc/32/94/12/564329412.db2.gz KKBHEBWXRDTZOJ-NSHDSACASA-N 1 0 376.213 2.597 20 0 GFADRO CCOC(=O)[C@@H]1CCCC[C@@H]1[NH2+][C@H](C(N)=O)c1cccc(Br)c1 ZINC000451596670 564329449 /nfs/dbraw/zinc/32/94/49/564329449.db2.gz GRQVVKNVFTUHEE-ILXRZTDVSA-N 1 0 383.286 2.687 20 0 GFADRO CN(Cc1ccccc1Br)C(=O)C[NH2+][C@H](CO)C1CCCCC1 ZINC000542910520 564331809 /nfs/dbraw/zinc/33/18/09/564331809.db2.gz VAMLHWONIOAUKV-QGZVFWFLSA-N 1 0 383.330 2.938 20 0 GFADRO CC(C)[NH+]1CCC(O)(CNC(=O)C2(c3ccccc3Br)CC2)CC1 ZINC000476280592 564333316 /nfs/dbraw/zinc/33/33/16/564333316.db2.gz VQQHUWTUSPTWDO-UHFFFAOYSA-N 1 0 395.341 2.832 20 0 GFADRO C[C@H](C[C@H](C)[NH3+])NC(=O)Nc1cc(F)c(F)cc1I ZINC000566620130 564335277 /nfs/dbraw/zinc/33/52/77/564335277.db2.gz NSAANSMWAUFIAE-NKWVEPMBSA-N 1 0 383.180 2.817 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CNC(=O)C[C@H]1CCCC[C@@H]1[NH3+] ZINC000566676024 564337933 /nfs/dbraw/zinc/33/79/33/564337933.db2.gz OLZCCFGPDBETTL-OCCSQVGLSA-N 1 0 382.302 2.720 20 0 GFADRO O=S(=O)(N[C@@H]1CCCN(CCCO)C1)c1sc2ccccc2c1Cl ZINC000451665719 564338153 /nfs/dbraw/zinc/33/81/53/564338153.db2.gz FORWUMAHMOKWRG-GFCCVEGCSA-N 1 0 388.942 2.680 20 0 GFADRO CC(C)(C)OC(=O)CNC(=O)CN(Cc1cccc(Br)c1)C1CC1 ZINC000543132115 564339124 /nfs/dbraw/zinc/33/91/24/564339124.db2.gz MDYWYRLKSLYVLA-UHFFFAOYSA-N 1 0 397.313 2.871 20 0 GFADRO NS(=O)(=O)CCC[NH2+]C1(c2ccccc2Br)CCCCC1 ZINC000451690922 564340151 /nfs/dbraw/zinc/34/01/51/564340151.db2.gz PTHCSINAVDMWAX-UHFFFAOYSA-N 1 0 375.332 2.877 20 0 GFADRO CCc1n[nH]c(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)c1Br ZINC000566771913 564342463 /nfs/dbraw/zinc/34/24/63/564342463.db2.gz PMWQQDXDYVXTAP-XJKSGUPXSA-N 1 0 377.286 2.910 20 0 GFADRO CC[NH2+]CCCNC(=O)C(=O)NCC1(c2ccc(Cl)cc2Cl)CCC1 ZINC000566786996 564342929 /nfs/dbraw/zinc/34/29/29/564342929.db2.gz NRYIAKNAZLEARQ-UHFFFAOYSA-N 1 0 386.323 2.647 20 0 GFADRO O[C@@H](COc1ccc(Br)cc1)C[N@@H+]1CC[C@H]2C[C@H](O)CC[C@@H]2C1 ZINC000451718279 564343067 /nfs/dbraw/zinc/34/30/67/564343067.db2.gz WFJQYKGLVJANPR-XOSAIJSUSA-N 1 0 384.314 2.672 20 0 GFADRO CN(CCC[N@H+](C)Cc1ccco1)S(=O)(=O)c1cc(F)c(F)cc1F ZINC000510666424 564343138 /nfs/dbraw/zinc/34/31/38/564343138.db2.gz TWNVCIXAQYQNQO-UHFFFAOYSA-N 1 0 376.400 2.840 20 0 GFADRO CC[N@@H+]1CCCC[C@@H]1CNS(=O)(=O)c1cccc(Br)c1F ZINC000543244352 564343781 /nfs/dbraw/zinc/34/37/81/564343781.db2.gz DIDARAMUGBCNSV-LLVKDONJSA-N 1 0 379.295 2.741 20 0 GFADRO CN(C)S(=O)(=O)CC[NH2+][C@@H]1CCc2c1cc(Br)cc2Cl ZINC000566826220 564344663 /nfs/dbraw/zinc/34/46/63/564344663.db2.gz HNAGYIYDHRDFFI-CYBMUJFWSA-N 1 0 381.723 2.571 20 0 GFADRO CS(=O)(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCOc1cc(Cl)ccc1Cl ZINC000510768575 564346351 /nfs/dbraw/zinc/34/63/51/564346351.db2.gz UMYFBNFRXPDWJW-ZIAGYGMSSA-N 1 0 381.325 2.822 20 0 GFADRO CC(C)(C)[C@@H]1CCN(C(=O)[C@](C)([NH3+])c2ccc(Br)cc2)C[C@H]1O ZINC000566854432 564347086 /nfs/dbraw/zinc/34/70/86/564347086.db2.gz NUBRYOKOQZJDQC-IIDMSEBBSA-N 1 0 383.330 2.879 20 0 GFADRO Cc1nc2ccc(Br)cn2c1C(=O)NCC1(C)CC[NH+](C)CC1 ZINC000476664539 564350185 /nfs/dbraw/zinc/35/01/85/564350185.db2.gz RGLJHHXKMMVSJF-UHFFFAOYSA-N 1 0 379.302 2.867 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)C[NH2+]C1(C2CC2)CC1 ZINC000543453386 564351799 /nfs/dbraw/zinc/35/17/99/564351799.db2.gz LDLCOVAFMUTXFQ-UHFFFAOYSA-N 1 0 394.313 2.687 20 0 GFADRO CC(C)([NH2+]CC(=O)Nc1cc(-n2cnnn2)ccc1Cl)c1cccs1 ZINC000543499626 564352716 /nfs/dbraw/zinc/35/27/16/564352716.db2.gz AMCBIPKUZPUIJJ-UHFFFAOYSA-N 1 0 376.873 2.841 20 0 GFADRO C[C@@H](CC1CC1)[NH2+]CCCNS(=O)(=O)c1ccccc1Br ZINC000566990388 564352824 /nfs/dbraw/zinc/35/28/24/564352824.db2.gz ZWFXMGIOWGCFTB-LBPRGKRZSA-N 1 0 375.332 2.896 20 0 GFADRO CN(C[C@@H]1CCC[N@H+](CCn2ccc3cc(Cl)ccc32)C1)S(C)(=O)=O ZINC000567002245 564353701 /nfs/dbraw/zinc/35/37/01/564353701.db2.gz GRLRNONTBFEDMF-HNNXBMFYSA-N 1 0 383.945 2.898 20 0 GFADRO CCC[N@H+](CC)C[C@H](C)NC(=O)C(=O)N1CCc2ccc(Br)cc21 ZINC000567154266 564360105 /nfs/dbraw/zinc/36/01/05/564360105.db2.gz KEZRMXSVGDKLCT-ZDUSSCGKSA-N 1 0 396.329 2.575 20 0 GFADRO CCc1sc(C(=O)NCC2CC[NH+](CCO)CC2)cc1Br ZINC000477009285 564361710 /nfs/dbraw/zinc/36/17/10/564361710.db2.gz SFUKMLLEROFUOY-UHFFFAOYSA-N 1 0 375.332 2.507 20 0 GFADRO OC[C@@H](C[NH2+]Cc1ccc(F)cc1I)Cc1ccco1 ZINC000567247095 564363089 /nfs/dbraw/zinc/36/30/89/564363089.db2.gz QQBBTDZHEZFOSV-LLVKDONJSA-N 1 0 389.208 2.964 20 0 GFADRO CCN1CCN(S(=O)(=O)c2cc(Br)sc2Cl)[C@@H](C)C1 ZINC000511224901 564363161 /nfs/dbraw/zinc/36/31/61/564363161.db2.gz QREUIKOCMHQHJO-QMMMGPOBSA-N 1 0 387.752 2.879 20 0 GFADRO C[C@H](Oc1cccc(Br)c1)C(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000567268569 564363805 /nfs/dbraw/zinc/36/38/05/564363805.db2.gz HLSMFKKCQAJSII-VUCTXSBTSA-N 1 0 397.313 2.571 20 0 GFADRO O[C@H](COc1ccc(Cl)cc1Cl)C[N@@H+]1CC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000451902480 564364309 /nfs/dbraw/zinc/36/43/09/564364309.db2.gz HXBQBMRUHDTPKU-PUYPPJJSSA-N 1 0 388.213 2.978 20 0 GFADRO COC[C@]1(CO)CC[N@@H+]([C@H](C)C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)C1 ZINC000451921379 564367455 /nfs/dbraw/zinc/36/74/55/564367455.db2.gz BUTKPZNOMATMQY-SNUQEOBHSA-N 1 0 389.323 2.890 20 0 GFADRO COC[C@]1(CO)CC[N@H+](CC(=O)N[C@H](C)c2ccc(Cl)c(Cl)c2)C1 ZINC000451930601 564369240 /nfs/dbraw/zinc/36/92/40/564369240.db2.gz QZSWOMWEDZFHIZ-SJKOYZFVSA-N 1 0 375.296 2.501 20 0 GFADRO O=S(=O)(NC1CCN(Cc2cc(Cl)cc(Cl)c2)CC1)c1c[nH]cn1 ZINC000544104710 564375162 /nfs/dbraw/zinc/37/51/62/564375162.db2.gz LFVBADNFLXTCEO-UHFFFAOYSA-N 1 0 389.308 2.659 20 0 GFADRO CC(C)C[C@@](C)(C[NH3+])NC(=O)Cc1cc2c(cc1Br)OCCO2 ZINC000567604803 564379484 /nfs/dbraw/zinc/37/94/84/564379484.db2.gz DACSXWAQOSCOEX-KRWDZBQOSA-N 1 0 385.302 2.643 20 0 GFADRO C[C@H]1[NH2+]CC[C@@H]1C(=O)N(CCn1ccnc1)Cc1ccccc1Br ZINC000567611153 564379821 /nfs/dbraw/zinc/37/98/21/564379821.db2.gz LUPVPMZPFYBMLY-ZBFHGGJFSA-N 1 0 391.313 2.672 20 0 GFADRO O=C(Nc1cc(-c2cc(Br)ccc2Cl)[nH]n1)[C@]12C[C@H]1CC[NH2+]2 ZINC000567639336 564381738 /nfs/dbraw/zinc/38/17/38/564381738.db2.gz ICTXNWHBGVKLPV-GLEZIHRCSA-N 1 0 381.661 3.183 20 0 GFADRO O=C(NCC[C@H]1CCC[NH2+]C1)c1ncc(Br)cc1Br ZINC000567668794 564382631 /nfs/dbraw/zinc/38/26/31/564382631.db2.gz VBEJMTHBWAXCCD-SECBINFHSA-N 1 0 391.107 2.726 20 0 GFADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)N(Cc1c(Cl)cccc1Cl)C1CC1 ZINC000477634723 564382764 /nfs/dbraw/zinc/38/27/64/564382764.db2.gz FWMGCKIKLNRIEZ-CQSZACIVSA-N 1 0 385.339 2.913 20 0 GFADRO O[C@H](C[NH2+]CCOC(F)(F)F)COc1ccc(Cl)cc1Br ZINC000567699531 564383106 /nfs/dbraw/zinc/38/31/06/564383106.db2.gz RMVVHTOIDUTJIU-SECBINFHSA-N 1 0 392.599 2.968 20 0 GFADRO Cc1cc(Br)cn2c(CN3CC[NH+](C[C@@H]4CCOC4)CC3)cnc12 ZINC000544349936 564383281 /nfs/dbraw/zinc/38/32/81/564383281.db2.gz SXEVICSMMDLJHK-HNNXBMFYSA-N 1 0 393.329 2.559 20 0 GFADRO CC[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(F)c(I)c2)C1 ZINC000544554778 564388840 /nfs/dbraw/zinc/38/88/40/564388840.db2.gz UYBQGACRHDBMLA-NSHDSACASA-N 1 0 390.240 2.892 20 0 GFADRO CCS(=O)(=O)N1CCC(C[NH2+]Cc2ccc(Br)s2)CC1 ZINC000544620469 564390721 /nfs/dbraw/zinc/39/07/21/564390721.db2.gz RUQIXYYTRSVDEN-UHFFFAOYSA-N 1 0 381.361 2.662 20 0 GFADRO C[C@@H]([NH3+])C[C@H](C)NC(=O)NCc1cc(Br)ccc1OC(F)F ZINC000567820125 564390698 /nfs/dbraw/zinc/39/06/98/564390698.db2.gz GFABEWJFWNMLMY-BDAKNGLRSA-N 1 0 380.233 2.976 20 0 GFADRO CC[N@@H+]1CCC[C@@H](CNC(=O)c2cc(Br)c3c(c2)OCCO3)C1 ZINC000512103855 564391239 /nfs/dbraw/zinc/39/12/39/564391239.db2.gz DDWLULSXFGFDEV-LBPRGKRZSA-N 1 0 383.286 2.682 20 0 GFADRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NCc1ncc(I)s1 ZINC000512117530 564392391 /nfs/dbraw/zinc/39/23/91/564392391.db2.gz WYLOTXMHZQPUDJ-MNOVXSKESA-N 1 0 379.311 2.958 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000477994221 564392580 /nfs/dbraw/zinc/39/25/80/564392580.db2.gz NPCFBARGLKMFBB-UHFFFAOYSA-N 1 0 384.318 2.932 20 0 GFADRO C[C@H](c1cccc(Br)c1)[N@@H+]1CCC[C@](O)(C(=O)N2CCCC2)C1 ZINC000452101809 564393214 /nfs/dbraw/zinc/39/32/14/564393214.db2.gz SZJMINRVEXZXPA-RDTXWAMCSA-N 1 0 381.314 2.959 20 0 GFADRO C[C@H](NC(=O)N[C@H]1CCN(c2cccc(Br)c2)C1)[C@H]1CCC[NH2+]C1 ZINC000567871718 564393945 /nfs/dbraw/zinc/39/39/45/564393945.db2.gz JKDUTPJVXHLQEH-DZKIICNBSA-N 1 0 395.345 2.715 20 0 GFADRO Cc1cc(OC[C@@H](O)C[NH2+]CC2(S(C)(=O)=O)CC2)c(C(C)C)cc1Cl ZINC000567892172 564395025 /nfs/dbraw/zinc/39/50/25/564395025.db2.gz HCLBECCGZRWMNM-AWEZNQCLSA-N 1 0 389.945 2.678 20 0 GFADRO O=C(c1cc(=O)c2cc(Br)ccc2[nH]1)N1CCC2(CC[NH2+]C2)CC1 ZINC000567914854 564396037 /nfs/dbraw/zinc/39/60/37/564396037.db2.gz UWUJQNXTRATZEK-UHFFFAOYSA-N 1 0 390.281 2.506 20 0 GFADRO C[NH+](C)CCOc1cc(C(=O)NCCc2ccccc2Br)ccn1 ZINC000512308669 564397797 /nfs/dbraw/zinc/39/77/97/564397797.db2.gz LAKGRYPSTRTHHI-UHFFFAOYSA-N 1 0 392.297 2.757 20 0 GFADRO C[NH+](C)CCOc1cc(CNc2noc3ccc(Br)cc32)ccn1 ZINC000567975860 564398927 /nfs/dbraw/zinc/39/89/27/564398927.db2.gz CLMIHMKMLRSKLD-UHFFFAOYSA-N 1 0 391.269 3.538 20 0 GFADRO COc1ccc(C[NH2+]CC2(O)Cc3ccccc3C2)c(Br)c1O ZINC000544839952 564401196 /nfs/dbraw/zinc/40/11/96/564401196.db2.gz KNPBKJCMKLUVJO-UHFFFAOYSA-N 1 0 378.266 2.783 20 0 GFADRO C[C@@H]1C[C@H](N2CCOCC2)C[N@@H+]1CCOc1cc(F)cc(Br)c1 ZINC000512432443 564401622 /nfs/dbraw/zinc/40/16/22/564401622.db2.gz GGZZEYGODGOISR-CJNGLKHVSA-N 1 0 387.293 2.762 20 0 GFADRO C[C@H]1C[C@H](N2CCOCC2)C[N@@H+]1CCOc1cc(F)cc(Br)c1 ZINC000512432442 564401797 /nfs/dbraw/zinc/40/17/97/564401797.db2.gz GGZZEYGODGOISR-BBRMVZONSA-N 1 0 387.293 2.762 20 0 GFADRO CCCN(CC[NH+](C)C)C(=O)c1cc(F)ccc1I ZINC000478405038 564401792 /nfs/dbraw/zinc/40/17/92/564401792.db2.gz ZKOAXKXOBMRDSD-UHFFFAOYSA-N 1 0 378.229 2.844 20 0 GFADRO COc1c[nH+]ccc1N1CCN(C(=O)c2c(F)cccc2Br)CC1 ZINC000478455202 564403519 /nfs/dbraw/zinc/40/35/19/564403519.db2.gz AAILHLADPJWXIE-UHFFFAOYSA-N 1 0 394.244 2.954 20 0 GFADRO O=C(NC[C@@H]1CCC[N@H+]1CCCO)c1ccc(Cl)c(Br)c1 ZINC000452367817 564409031 /nfs/dbraw/zinc/40/90/31/564409031.db2.gz QGWFNWISLSOPPB-LBPRGKRZSA-N 1 0 375.694 2.679 20 0 GFADRO O=C(N[C@H]1CCC[N@@H+](CCCO)C1)C1(c2ccc(Br)cc2)CCC1 ZINC000452384457 564411449 /nfs/dbraw/zinc/41/14/49/564411449.db2.gz RLFROXPDJGGITM-KRWDZBQOSA-N 1 0 395.341 2.834 20 0 GFADRO Cc1cc(C(C)(C)C(=O)N[C@H]2CCC[N@H+](CCCO)C2)ccc1Br ZINC000452381572 564411620 /nfs/dbraw/zinc/41/16/20/564411620.db2.gz JWCXMDHPDHESTA-INIZCTEOSA-N 1 0 397.357 2.998 20 0 GFADRO CC[C@@H](Cc1cccc(Br)c1)C(=O)NC[C@@H]1CCCC[N@@H+]1CCO ZINC000452389863 564412604 /nfs/dbraw/zinc/41/26/04/564412604.db2.gz NAIOODYZSGLBQM-WMZOPIPTSA-N 1 0 397.357 2.981 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)C[NH2+]Cc1ccc(C(N)=O)cc1 ZINC000512830280 564413136 /nfs/dbraw/zinc/41/31/36/564413136.db2.gz XNXAMBOBVWQWCZ-UHFFFAOYSA-N 1 0 376.254 2.585 20 0 GFADRO Cc1cc(Br)cn2c(CN(CC[NH+](C)C)C[C@@H]3CCCO3)cnc12 ZINC000568328460 564414092 /nfs/dbraw/zinc/41/40/92/564414092.db2.gz WHCOHHHCZOVWHI-KRWDZBQOSA-N 1 0 395.345 2.948 20 0 GFADRO O=S(=O)(NCCC[NH2+]C1CCSCC1)c1ccccc1Br ZINC000512869256 564414851 /nfs/dbraw/zinc/41/48/51/564414851.db2.gz PNYHRIKDMBIMCG-UHFFFAOYSA-N 1 0 393.372 2.603 20 0 GFADRO CS(=O)(=O)N[C@H]1CCCC[C@H]1C[NH2+]Cc1cccc(Br)c1 ZINC000512909400 564416085 /nfs/dbraw/zinc/41/60/85/564416085.db2.gz XZLDDAZPDBNMNM-ZFWWWQNUSA-N 1 0 375.332 2.647 20 0 GFADRO Cc1cc(Br)cn2cc(CC[NH2+]Cc3ccc(C(N)=O)cc3)nc12 ZINC000545353154 564418537 /nfs/dbraw/zinc/41/85/37/564418537.db2.gz PMXVQPIMAFPJFF-UHFFFAOYSA-N 1 0 387.281 2.836 20 0 GFADRO O=C(c1cc(Cl)c[nH]1)N1CCC([NH2+]Cc2cc(C(F)(F)F)n[nH]2)CC1 ZINC000513040644 564418976 /nfs/dbraw/zinc/41/89/76/564418976.db2.gz KFWKHYHJORMUEO-UHFFFAOYSA-N 1 0 375.782 2.804 20 0 GFADRO CCc1nnc(CN[C@](C)(CC(=O)OC)c2ccc(Br)cc2)[nH]1 ZINC000513121625 564420529 /nfs/dbraw/zinc/42/05/29/564420529.db2.gz GUXUQORGZVAJIC-MRXNPFEDSA-N 1 0 381.274 2.698 20 0 GFADRO COC(=O)C[C@](C)([NH2+]CCN1CCO[C@H](C)C1)c1ccc(Br)cc1 ZINC000513139452 564421691 /nfs/dbraw/zinc/42/16/91/564421691.db2.gz RJEBUKWTBPOZFW-KDOFPFPSSA-N 1 0 399.329 2.538 20 0 GFADRO COC(=O)C[C@@](C)([NH2+]CC(=O)N(C)CC1CC1)c1ccc(Br)cc1 ZINC000513145558 564422001 /nfs/dbraw/zinc/42/20/01/564422001.db2.gz VCYZQGLMCLIVBB-GOSISDBHSA-N 1 0 397.313 2.685 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2ccc(Cl)cc2C(=O)OC)C[C@@H]1C ZINC000513131524 564422148 /nfs/dbraw/zinc/42/21/48/564422148.db2.gz IBSAMRIEELIVIY-GXTWGEPZSA-N 1 0 388.917 2.620 20 0 GFADRO NC(=O)[C@H]1CCCN1CCC[NH2+][C@H](c1ccc(Br)cc1F)C1CC1 ZINC000479081846 564425023 /nfs/dbraw/zinc/42/50/23/564425023.db2.gz ROJPUDNEEIKTHK-SJORKVTESA-N 1 0 398.320 2.969 20 0 GFADRO NC(=O)[C@@H]1CCCN1CCC[NH2+][C@H]1CCCc2cc(Br)ccc21 ZINC000479080108 564425060 /nfs/dbraw/zinc/42/50/60/564425060.db2.gz NOUJCEJDDPVROB-IRXDYDNUSA-N 1 0 380.330 2.756 20 0 GFADRO CN(Cc1ccc(Cl)s1)C(=O)C[NH2+][C@H]1CCCC[C@@H]1N1CCOCC1 ZINC000568588487 564425987 /nfs/dbraw/zinc/42/59/87/564425987.db2.gz HDLSEWKYFAGYLS-HOTGVXAUSA-N 1 0 385.961 2.593 20 0 GFADRO CC(C)[C@@](C)(NC(=O)NC[C@H]1C[NH2+]CCCO1)c1ccc(Br)cc1 ZINC000568609449 564426891 /nfs/dbraw/zinc/42/68/91/564426891.db2.gz ZYIKCYRVMVEWJM-SJLPKXTDSA-N 1 0 398.345 2.998 20 0 GFADRO CNC(=O)[C@@H](C[NH2+]Cc1cncc(Br)c1)Cc1ccc(F)cc1C ZINC000568626537 564427647 /nfs/dbraw/zinc/42/76/47/564427647.db2.gz IXIPBRWCKWUKJG-OAHLLOKOSA-N 1 0 394.288 2.986 20 0 GFADRO [NH3+]CC12CCC(CC1)CN2C(=O)c1ccc(-n2cc(Br)cn2)cc1 ZINC000568642911 564428687 /nfs/dbraw/zinc/42/86/87/564428687.db2.gz GWERZTZMNGDUPX-UHFFFAOYSA-N 1 0 389.297 2.978 20 0 GFADRO O=C(NCCCn1cc(Br)cn1)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000513577865 564432956 /nfs/dbraw/zinc/43/29/56/564432956.db2.gz BCPXHFPPHLJWPR-INIZCTEOSA-N 1 0 398.349 2.696 20 0 GFADRO NCC(F)(F)CC(=O)N1CCC[C@H]1C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000568776432 564434089 /nfs/dbraw/zinc/43/40/89/564434089.db2.gz GFEKBTSWMPVDTD-LBPRGKRZSA-N 1 0 380.222 2.907 20 0 GFADRO CC(C)C[C@H](Cc1cccc(Br)c1)C(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000545861998 564434718 /nfs/dbraw/zinc/43/47/18/564434718.db2.gz AZCLJUFYKMHILW-APWZRJJASA-N 1 0 397.357 2.837 20 0 GFADRO CNC(=O)CN1CCC([NH2+][C@H]2CC(C)(C)c3ccc(Br)cc32)CC1 ZINC000479337756 564436273 /nfs/dbraw/zinc/43/62/73/564436273.db2.gz TWSLPUCOOBJBHS-KRWDZBQOSA-N 1 0 394.357 2.972 20 0 GFADRO CNC(=O)CN1CCC([NH2+][C@@H]2CC(C)(C)c3ccc(Br)cc32)CC1 ZINC000479337757 564436548 /nfs/dbraw/zinc/43/65/48/564436548.db2.gz TWSLPUCOOBJBHS-QGZVFWFLSA-N 1 0 394.357 2.972 20 0 GFADRO O=C(NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cscc1Br ZINC000513716629 564436995 /nfs/dbraw/zinc/43/69/95/564436995.db2.gz FPMBKKXQVSZZOJ-QGZVFWFLSA-N 1 0 395.322 2.877 20 0 GFADRO CN(CCC[NH+](C)C)C(=O)Nc1c(F)cc(I)cc1F ZINC000568847491 564437364 /nfs/dbraw/zinc/43/73/64/564437364.db2.gz FRSUPECOLJFGNH-UHFFFAOYSA-N 1 0 397.207 2.985 20 0 GFADRO O=S(=O)(CC[NH2+]CCCNc1ccccn1)c1cccc(Br)c1 ZINC000568857654 564437946 /nfs/dbraw/zinc/43/79/46/564437946.db2.gz KVPHKIGSNUJQFX-UHFFFAOYSA-N 1 0 398.326 2.710 20 0 GFADRO O=S(=O)(c1ccc2ccccc2c1Br)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000568881093 564438727 /nfs/dbraw/zinc/43/87/27/564438727.db2.gz DGFVUMTVCRCGRG-QGZVFWFLSA-N 1 0 395.322 2.976 20 0 GFADRO Brc1cc(NC2CC[NH+](CC3CC3)CC2)cnc1N1CCOCC1 ZINC000545980666 564439073 /nfs/dbraw/zinc/43/90/73/564439073.db2.gz PULZGFBGECIACI-UHFFFAOYSA-N 1 0 395.345 2.967 20 0 GFADRO C[C@@H]([NH2+]CCN1CC=CCC1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000479514173 564442458 /nfs/dbraw/zinc/44/24/58/564442458.db2.gz PREWWVHOQXPOEK-LLVKDONJSA-N 1 0 378.325 2.553 20 0 GFADRO Cc1[nH]c2ccc(Br)cc2c1CC(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000568963562 564442615 /nfs/dbraw/zinc/44/26/15/564442615.db2.gz VXZAQHFHEKWNOF-STQMWFEESA-N 1 0 376.298 2.849 20 0 GFADRO CC(C)C[N@@H+]1CCCC[C@@H]1CNS(=O)(=O)c1ccc(Br)o1 ZINC000546070996 564442888 /nfs/dbraw/zinc/44/28/88/564442888.db2.gz OKWDVQJEGTYRRB-GFCCVEGCSA-N 1 0 379.320 2.831 20 0 GFADRO [NH3+]CC1CCN(C(=O)[C@@H](c2ccc(Br)cc2)N2CCCC2)CC1 ZINC000568998873 564444415 /nfs/dbraw/zinc/44/44/15/564444415.db2.gz ITBBIWOCIFKDNF-QGZVFWFLSA-N 1 0 380.330 2.783 20 0 GFADRO Cc1c(C(=O)N2C[C@H]3CC[N@@H+](C)[C@H]3C2)cnn1-c1ccc(Br)cc1 ZINC000453044354 564444973 /nfs/dbraw/zinc/44/49/73/564444973.db2.gz YCYBGDIFLIYEHY-DYVFJYSZSA-N 1 0 389.297 2.719 20 0 GFADRO C[C@H]([C@@H]1Cc2ccccc2O1)[N@H+](C)Cc1cc(Cl)cc(S(N)(=O)=O)c1 ZINC000569007428 564445249 /nfs/dbraw/zinc/44/52/49/564445249.db2.gz JKAKSRFNVGTNRH-XIKOKIGWSA-N 1 0 380.897 2.811 20 0 GFADRO CS(=O)(=O)N1CC[C@@H](C[N@@H+]2CC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)C1 ZINC000514119482 564446111 /nfs/dbraw/zinc/44/61/11/564446111.db2.gz VXMNWDLZVWRESV-JSGCOSHPSA-N 1 0 393.336 2.728 20 0 GFADRO CCN(CCC[NH2+][C@@H](C)Cc1ccc(F)cc1Br)S(C)(=O)=O ZINC000569047471 564446356 /nfs/dbraw/zinc/44/63/56/564446356.db2.gz LRCGNHCGOSOALS-LBPRGKRZSA-N 1 0 395.338 2.780 20 0 GFADRO COC1([C@H](C)[NH2+]CCC(=O)Nc2ccc(Br)cc2)CCOCC1 ZINC000453094276 564446850 /nfs/dbraw/zinc/44/68/50/564446850.db2.gz NSZKSWNSIMQOCE-ZDUSSCGKSA-N 1 0 385.302 2.951 20 0 GFADRO COc1cc(C)c(C[NH2+]C[C@@H](O)COc2ccccc2Br)c(C)n1 ZINC000514238037 564447942 /nfs/dbraw/zinc/44/79/42/564447942.db2.gz PKHANUZVQQQFEI-CQSZACIVSA-N 1 0 395.297 2.999 20 0 GFADRO CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000569093643 564448762 /nfs/dbraw/zinc/44/87/62/564448762.db2.gz ISNSUTYHQDFCMQ-XEZPLFJOSA-N 1 0 384.318 2.905 20 0 GFADRO CCN(C)C(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(F)c(I)c1 ZINC000453224799 564449598 /nfs/dbraw/zinc/44/95/98/564449598.db2.gz XBGNMUHVQRQFRN-NXEZZACHSA-N 1 0 378.229 2.948 20 0 GFADRO COC1([C@@H](C)[NH2+]C[C@H](CO)Cc2cccc(Br)c2)CCOCC1 ZINC000453201683 564450096 /nfs/dbraw/zinc/45/00/96/564450096.db2.gz CGDYAWBPRSDXIT-GDBMZVCRSA-N 1 0 386.330 2.774 20 0 GFADRO COC(=O)c1cn([C@@H]2CC[N@H+](CCOc3ccc(Cl)cc3Cl)C2)nn1 ZINC000546224986 564450592 /nfs/dbraw/zinc/45/05/92/564450592.db2.gz YGJVWEDQFWESPZ-GFCCVEGCSA-N 1 0 385.251 2.697 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCCN(CCCO)C1)c1ccccc1I ZINC000453267244 564450941 /nfs/dbraw/zinc/45/09/41/564450941.db2.gz OZEJYHROVVIFQZ-UONOGXRCSA-N 1 0 388.293 2.789 20 0 GFADRO CO[C@@H]1CCN(C(=O)CCSc2ccccc2Br)[C@@H](C[NH3+])C1 ZINC000569213148 564453267 /nfs/dbraw/zinc/45/32/67/564453267.db2.gz WLVFWSHTYSAWME-CHWSQXEVSA-N 1 0 387.343 2.896 20 0 GFADRO CC[C@H]([NH2+][C@@H](C)Cc1cnn(C)c1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000453337331 564454063 /nfs/dbraw/zinc/45/40/63/564454063.db2.gz JRASQAPINBMVKE-LRDDRELGSA-N 1 0 384.933 2.654 20 0 GFADRO COc1ccc(C[C@H](CO)C[NH2+][C@H](C)c2cnn(C)c2)cc1Br ZINC000453338870 564454130 /nfs/dbraw/zinc/45/41/30/564454130.db2.gz AZMUBDYZAOPBEK-OCCSQVGLSA-N 1 0 382.302 2.693 20 0 GFADRO COc1cc(NC(=O)[C@@]2(c3ccccc3)CC[NH2+]C2)ncc1Br ZINC000569239859 564455425 /nfs/dbraw/zinc/45/54/25/564455425.db2.gz AKXJPSYFRXVACJ-KRWDZBQOSA-N 1 0 376.254 2.723 20 0 GFADRO Cc1c(Br)cccc1C[C@@H](CO)C[NH2+][C@@H](C)C(C)(C)n1cncn1 ZINC000453378879 564455811 /nfs/dbraw/zinc/45/58/11/564455811.db2.gz QFPMELOTGVUMEG-LSDHHAIUSA-N 1 0 395.345 2.913 20 0 GFADRO CC[C@@H]([NH2+][C@H]1CCS(=O)(=O)c2ccc(Br)cc21)[C@@H](O)CC ZINC000453379679 564456177 /nfs/dbraw/zinc/45/61/77/564456177.db2.gz QZQRKMLACOUQNA-RDBSUJKOSA-N 1 0 376.316 2.807 20 0 GFADRO COc1ccc(Br)cc1C[C@H](CO)C[NH2+][C@@H](C)c1ccncn1 ZINC000453393440 564456373 /nfs/dbraw/zinc/45/63/73/564456373.db2.gz ZKSRPPTZMVFDTR-STQMWFEESA-N 1 0 380.286 2.750 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)C1(c2cccc(Br)c2)CC(=O)C1)C1CC1 ZINC000569277574 564456634 /nfs/dbraw/zinc/45/66/34/564456634.db2.gz WZXRQBLESUWFJE-INIZCTEOSA-N 1 0 379.298 2.506 20 0 GFADRO C[C@H](CCc1ccc(I)cc1)[NH2+]C[C@@]1(C)CCC(=O)N1 ZINC000453434947 564456924 /nfs/dbraw/zinc/45/69/24/564456924.db2.gz TXNUNCQDEXUBJG-MLGOLLRUSA-N 1 0 386.277 2.871 20 0 GFADRO O=C1CO[C@H]2CC[N@@H+](Cc3ccc(-c4cccc(Br)c4)o3)C[C@@H]2N1 ZINC000453579821 564458333 /nfs/dbraw/zinc/45/83/33/564458333.db2.gz WMZFCGCKZJRXEM-RDJZCZTQSA-N 1 0 391.265 2.798 20 0 GFADRO OC[C@H](C[NH2+]Cc1cn(-c2ccccc2Br)nn1)Cc1ccco1 ZINC000514820662 564458444 /nfs/dbraw/zinc/45/84/44/564458444.db2.gz VDMKXMBLKMCKLJ-ZDUSSCGKSA-N 1 0 391.269 2.564 20 0 GFADRO COc1cc(C[NH2+]C[C@]2(C)CCC(=O)N2)cc(Br)c1OC(F)F ZINC000453592249 564458849 /nfs/dbraw/zinc/45/88/49/564458849.db2.gz SSOOBDPEZBCLHN-HNNXBMFYSA-N 1 0 393.228 2.817 20 0 GFADRO C[C@@H]([NH2+]CCN1CCO[C@H](C)C1)c1ccc(F)c(I)c1 ZINC000514842174 564459165 /nfs/dbraw/zinc/45/91/65/564459165.db2.gz ZFALJDNNFSRJPA-VXGBXAGGSA-N 1 0 392.256 2.802 20 0 GFADRO CC(C)[N@H+](C)C[C@@H](C)NC(=O)COc1ccc(I)cc1 ZINC000514833493 564459368 /nfs/dbraw/zinc/45/93/68/564459368.db2.gz XNATUIPTKHUHIR-GFCCVEGCSA-N 1 0 390.265 2.515 20 0 GFADRO Cc1cc(Br)c(C[NH2+]CCCN2CCC[C@@H]2C(=O)N(C)C)s1 ZINC000453586372 564459673 /nfs/dbraw/zinc/45/96/73/564459673.db2.gz JMCTZMSGEMCHAW-CQSZACIVSA-N 1 0 388.375 2.851 20 0 GFADRO C[NH+](C)CC1CCN(C(=O)c2cnnn2-c2c(Cl)cccc2Cl)CC1 ZINC000480112885 564460571 /nfs/dbraw/zinc/46/05/71/564460571.db2.gz FTNBKPTYXYMXOH-UHFFFAOYSA-N 1 0 382.295 2.988 20 0 GFADRO CSc1ccc(NC(=O)C(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)cc1Cl ZINC000480127278 564461540 /nfs/dbraw/zinc/46/15/40/564461540.db2.gz VORDXGOFUNLOCT-GOSISDBHSA-N 1 0 381.929 2.945 20 0 GFADRO [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)c1cc(=O)[nH]c2c(Br)cccc12 ZINC000514937812 564462741 /nfs/dbraw/zinc/46/27/41/564462741.db2.gz OZZXYFTYOASJDT-BRMWTDIGSA-N 1 0 390.281 2.949 20 0 GFADRO C[NH+]1CCC(O)(CNC(=O)Nc2ccc(OC(F)(F)F)c(Cl)c2)CC1 ZINC000514936621 564462781 /nfs/dbraw/zinc/46/27/81/564462781.db2.gz ZGGWGQLOCHCCSH-UHFFFAOYSA-N 1 0 381.782 2.817 20 0 GFADRO O=S1(=O)CCC(O)(C[NH2+]CC2(c3ccc(F)cc3Cl)CCCC2)CC1 ZINC000569449942 564463991 /nfs/dbraw/zinc/46/39/91/564463991.db2.gz UDQVNVVDTFESFC-UHFFFAOYSA-N 1 0 389.920 2.820 20 0 GFADRO O=S1(=O)CC[C@H]([NH2+][C@@H]2CCN3CCCC[C@H]23)c2cc(Br)ccc21 ZINC000480228512 564465288 /nfs/dbraw/zinc/46/52/88/564465288.db2.gz OHLXTIHGQJJWJH-ARFHVFGLSA-N 1 0 399.354 2.884 20 0 GFADRO CSC1(CNCc2c(Cl)cccc2S(C)(=O)=O)CC[NH+](C)CC1 ZINC000569513907 564466885 /nfs/dbraw/zinc/46/68/85/564466885.db2.gz QDCRZVHSYGNUIY-UHFFFAOYSA-N 1 0 376.975 2.661 20 0 GFADRO C[C@@H]1[C@@H](NC(=O)C(=O)Nc2cc(Cl)cc(Br)c2)CCC[N@@H+]1C ZINC000453702585 564467323 /nfs/dbraw/zinc/46/73/23/564467323.db2.gz QCRLLNRXNSIRKY-RNCFNFMXSA-N 1 0 388.693 2.640 20 0 GFADRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)c1ccc(Br)o1 ZINC000546770060 564468107 /nfs/dbraw/zinc/46/81/07/564468107.db2.gz NURFCCITSWFQND-TUAOUCFPSA-N 1 0 379.320 2.687 20 0 GFADRO CC[NH+](CC)CCCN[C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000480334852 564468873 /nfs/dbraw/zinc/46/88/73/564468873.db2.gz NJQQYOXFRDNUOI-OAHLLOKOSA-N 1 0 389.359 2.989 20 0 GFADRO C[NH+](C)CC1(CNS(=O)(=O)c2cccc(Br)c2)CCCC1 ZINC000546782455 564469146 /nfs/dbraw/zinc/46/91/46/564469146.db2.gz SICIJJGTWLWWSI-UHFFFAOYSA-N 1 0 375.332 2.849 20 0 GFADRO Cc1ccc(-c2nc(NC(=O)C(=O)NCC[N@@H+](C)C(C)C)sc2C)s1 ZINC000569582076 564469352 /nfs/dbraw/zinc/46/93/52/564469352.db2.gz WZLPIZPCUJKFTR-UHFFFAOYSA-N 1 0 380.539 2.883 20 0 GFADRO COc1ccc(-c2nc(C(=O)NC[C@@]3([NH+](C)C)CCSC3)cs2)cc1 ZINC000480386582 564470507 /nfs/dbraw/zinc/47/05/07/564470507.db2.gz CEDXIAIBNRXTBF-SFHVURJKSA-N 1 0 377.535 2.986 20 0 GFADRO C[C@H](C[N@H+](C)Cc1ccccc1)NS(=O)(=O)c1ccc(Br)o1 ZINC000569615348 564471666 /nfs/dbraw/zinc/47/16/66/564471666.db2.gz GJPXZSNTVPFXRV-GFCCVEGCSA-N 1 0 387.299 2.841 20 0 GFADRO C[C@H]1CCC[C@H](C)[NH+]1CCNS(=O)(=O)c1ccc(OC(F)F)c(F)c1 ZINC000569672588 564473481 /nfs/dbraw/zinc/47/34/81/564473481.db2.gz VWPDEMLMBBIOKC-RYUDHWBXSA-N 1 0 380.432 2.968 20 0 GFADRO CC[NH+]1CCN(c2nnc([C@H](C)Oc3cccc(Br)c3)n2C)CC1 ZINC000569705704 564474996 /nfs/dbraw/zinc/47/49/96/564474996.db2.gz XQOWYSZDNSUIAJ-ZDUSSCGKSA-N 1 0 394.317 2.860 20 0 GFADRO COc1nc(N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)ncc1Br ZINC000480585847 564478510 /nfs/dbraw/zinc/47/85/10/564478510.db2.gz ZJASJOQRUHDQPF-GASCZTMLSA-N 1 0 389.297 2.816 20 0 GFADRO Cc1[nH]c(=O)sc1S(=O)(=O)NCC[NH2+][C@H](C)c1cc2ccccc2o1 ZINC000515608062 564482928 /nfs/dbraw/zinc/48/29/28/564482928.db2.gz BRCXFWRPBWXGNL-SNVBAGLBSA-N 1 0 381.479 2.532 20 0 GFADRO CC[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2cc(Br)c(F)cc2C)C1 ZINC000480704040 564483533 /nfs/dbraw/zinc/48/35/33/564483533.db2.gz YXJQOFLRMWCDSF-LBPRGKRZSA-N 1 0 393.322 2.907 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)c2cc(Cl)ccc2Br)CC12CCOCC2 ZINC000569926987 564483940 /nfs/dbraw/zinc/48/39/40/564483940.db2.gz ZIWHBFCTIDDZTR-NSHDSACASA-N 1 0 387.705 2.930 20 0 GFADRO Cc1ccc(CC[NH2+]C[C@H](O)COc2cc(F)cc(Br)c2)cn1 ZINC000569921341 564484170 /nfs/dbraw/zinc/48/41/70/564484170.db2.gz RCSZPNCTOWRTGB-INIZCTEOSA-N 1 0 383.261 2.864 20 0 GFADRO CCc1nncn1CC[NH2+][C@@H](C)CC(=O)Nc1ccc(Br)cc1 ZINC000547385603 564487133 /nfs/dbraw/zinc/48/71/33/564487133.db2.gz ZPYRZZZBTRDJLJ-LBPRGKRZSA-N 1 0 380.290 2.610 20 0 GFADRO COc1ccc(Cl)cc1CS(=O)(=O)NCC1(SC)CC[NH+](C)CC1 ZINC000570088142 564490242 /nfs/dbraw/zinc/49/02/42/564490242.db2.gz SUXTUKKMNCLIDM-UHFFFAOYSA-N 1 0 392.974 2.595 20 0 GFADRO CCS[C@H]1CCCC[N@H+](CCOc2ccc(S(=O)(=O)N(C)C)cc2)C1 ZINC000480867177 564492446 /nfs/dbraw/zinc/49/24/46/564492446.db2.gz SJGANEAZPYOQJH-KRWDZBQOSA-N 1 0 386.583 2.923 20 0 GFADRO Cc1cc(S(=O)(=O)N[C@@H]2C[N@H+](C3CC3)C[C@H]2C)c(C)cc1Br ZINC000480868153 564492611 /nfs/dbraw/zinc/49/26/11/564492611.db2.gz HXKXSDGZUIJOSC-IUODEOHRSA-N 1 0 387.343 2.827 20 0 GFADRO C[C@@H](NS(=O)(=O)c1ccc(Br)cn1)[C@@H](c1ccccc1)[NH+](C)C ZINC000480893216 564493941 /nfs/dbraw/zinc/49/39/41/564493941.db2.gz CCKMOVOZJXHZBX-WBMJQRKESA-N 1 0 398.326 2.814 20 0 GFADRO C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)NCCSCc1ccc(Cl)cc1Cl ZINC000516182227 564496075 /nfs/dbraw/zinc/49/60/75/564496075.db2.gz NNKQVHWZVDMQOW-MNOVXSKESA-N 1 0 392.352 2.585 20 0 GFADRO C[NH+](C)C[C@@H](CNS(=O)(=O)CC1CC(F)(F)C1)c1ccc(Cl)cc1 ZINC000570218484 564497426 /nfs/dbraw/zinc/49/74/26/564497426.db2.gz RQFOOUWSRZPQTG-CQSZACIVSA-N 1 0 380.888 2.950 20 0 GFADRO OC[C@H]1CC[C@H]([NH2+]C[C@@H](O)COc2ccc(Cl)cc2Br)CC1 ZINC000516291446 564498576 /nfs/dbraw/zinc/49/85/76/564498576.db2.gz WNXVSPGTRRJOAO-MRVWCRGKSA-N 1 0 392.721 2.983 20 0 GFADRO [NH3+][C@H]1CCC[C@H](CNC(=O)c2cc(=O)[nH]c3c(Br)cccc23)C1 ZINC000516288805 564498593 /nfs/dbraw/zinc/49/85/93/564498593.db2.gz ZHVGKRUMSVVXLX-QWRGUYRKSA-N 1 0 378.270 2.950 20 0 GFADRO C[C@H]1CC[N@H+](CCNS(=O)(=O)c2ccc(Cl)c(Br)c2)C1 ZINC000516269762 564498600 /nfs/dbraw/zinc/49/86/00/564498600.db2.gz RGCAYXVYBYNSIN-JTQLQIEISA-N 1 0 381.723 2.723 20 0 GFADRO Cn1cc2c(n1)CCC[C@H]2[NH2+]C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000516277422 564498988 /nfs/dbraw/zinc/49/89/88/564498988.db2.gz FCFAJIUVSFAWFC-XJKSGUPXSA-N 1 0 398.276 2.729 20 0 GFADRO O=S(=O)(NCC[NH2+][C@H]1CCCc2c(O)cccc21)c1cccc(Cl)c1 ZINC000570300558 564499735 /nfs/dbraw/zinc/49/97/35/564499735.db2.gz ZLRZTUMZSPYHGF-KRWDZBQOSA-N 1 0 380.897 2.991 20 0 GFADRO CC[NH+]1CCN(CC(C)(C)NC(=O)Nc2cccc(Br)c2)CC1 ZINC000454133926 564500379 /nfs/dbraw/zinc/50/03/79/564500379.db2.gz KCAGJMXKKZCQCY-UHFFFAOYSA-N 1 0 383.334 2.987 20 0 GFADRO COCC[NH2+]C1CCN(C(=O)c2c[nH]c3cccc(Br)c32)CC1 ZINC000570340404 564501903 /nfs/dbraw/zinc/50/19/03/564501903.db2.gz PZANMBYDXOQCQS-UHFFFAOYSA-N 1 0 380.286 2.771 20 0 GFADRO CC[C@H](CO)[NH+]1CCN(c2cc(C(F)(F)F)c(Br)cn2)CC1 ZINC000516458708 564502263 /nfs/dbraw/zinc/50/22/63/564502263.db2.gz GNQQWJRTSXVLEL-SNVBAGLBSA-N 1 0 382.224 2.756 20 0 GFADRO O=C(NCCOc1ccc2cc(Br)ccc2c1)[C@H]1C[C@H](F)C[NH2+]1 ZINC000516460284 564502327 /nfs/dbraw/zinc/50/23/27/564502327.db2.gz JYMANLXQKITCGL-GOEBONIOSA-N 1 0 381.245 2.797 20 0 GFADRO CC(C)O[C@H]1C[C@@H]([NH2+]C[C@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000516645761 564508098 /nfs/dbraw/zinc/50/80/98/564508098.db2.gz PORJQHQUGGHHPI-OFQRWUPVSA-N 1 0 376.266 2.874 20 0 GFADRO C[NH+](C)[C@]1(CNC(=O)NCc2cc(F)ccc2Br)CCSC1 ZINC000481275111 564508520 /nfs/dbraw/zinc/50/85/20/564508520.db2.gz FJYHODIDQFJAFW-HNNXBMFYSA-N 1 0 390.322 2.825 20 0 GFADRO Cc1c(S(=O)(=O)NC[C@@H](C)[NH+]2CCCC2)cnn1-c1ccc(Cl)cc1 ZINC000547714999 564508829 /nfs/dbraw/zinc/50/88/29/564508829.db2.gz BKLQDNXQGJSQIN-CYBMUJFWSA-N 1 0 382.917 2.597 20 0 GFADRO Cc1nc2ccc(C[N@@H+]3CCC[C@H](CNS(=O)(=O)C4CC4)C3)cc2s1 ZINC000516686063 564509686 /nfs/dbraw/zinc/50/96/86/564509686.db2.gz OASMPNVDWNXJTQ-OAHLLOKOSA-N 1 0 379.551 2.899 20 0 GFADRO COc1cc(Cl)c(S(=O)(=O)NC[C@]2([NH+](C)C)CCSC2)cc1Cl ZINC000481336488 564509999 /nfs/dbraw/zinc/50/99/99/564509999.db2.gz ISUJPJKWIUZXFY-CQSZACIVSA-N 1 0 399.365 2.718 20 0 GFADRO O[C@@H](C[NH2+]C1CCN(c2nccs2)CC1)COCc1ccccc1Cl ZINC000516762785 564511340 /nfs/dbraw/zinc/51/13/40/564511340.db2.gz OPOXNHZRAFXKAU-INIZCTEOSA-N 1 0 381.929 2.933 20 0 GFADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)NC/C=C/c1ccc(Br)cc1 ZINC000454526795 564512835 /nfs/dbraw/zinc/51/28/35/564512835.db2.gz MIVZBTIBRPALPF-WVMJFEGXSA-N 1 0 396.329 2.872 20 0 GFADRO C[C@H](NC(=O)N[C@@H]1CCN(c2ccccc2Br)C1)[C@H]1CCC[NH2+]C1 ZINC000570665952 564516210 /nfs/dbraw/zinc/51/62/10/564516210.db2.gz NZMUGKFVXGIVLD-SOUVJXGZSA-N 1 0 395.345 2.715 20 0 GFADRO C[NH+]1CCN(C[C@H](NS(=O)(=O)c2sccc2Cl)c2ccccc2)CC1 ZINC000570670123 564516376 /nfs/dbraw/zinc/51/63/76/564516376.db2.gz NBQNOCBTZUIKGT-INIZCTEOSA-N 1 0 399.969 2.669 20 0 GFADRO CN(Cc1ccccc1Br)C(=O)CC[NH2+]C[C@H](O)CC(F)(F)F ZINC000570710911 564518183 /nfs/dbraw/zinc/51/81/83/564518183.db2.gz NUEDVEVWNCNLFU-GFCCVEGCSA-N 1 0 397.235 2.701 20 0 GFADRO O=S(=O)(CCC[NH2+]C[C@H](O)Cc1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000517231319 564528298 /nfs/dbraw/zinc/52/82/98/564528298.db2.gz ZXEKMCDAPHIILH-QGZVFWFLSA-N 1 0 385.888 2.836 20 0 GFADRO COc1cc([C@H](C)[NH2+]CCNS(=O)(=O)c2ccc(Cl)cc2F)ccn1 ZINC000570945954 564528655 /nfs/dbraw/zinc/52/86/55/564528655.db2.gz MYLVKOJJMHFIOO-NSHDSACASA-N 1 0 387.864 2.512 20 0 GFADRO Cc1cc(C(=O)NCC(=O)N2CC[NH2+]CC2)sc1-c1cccc(Cl)c1 ZINC000570954677 564528869 /nfs/dbraw/zinc/52/88/69/564528869.db2.gz LSZFONUQXWYVHY-UHFFFAOYSA-N 1 0 377.897 2.539 20 0 GFADRO C[C@H](CNC(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1)C[NH+](C)C ZINC000517252162 564529240 /nfs/dbraw/zinc/52/92/40/564529240.db2.gz LNXDKRDBSHPFMI-WBMJQRKESA-N 1 0 386.323 2.912 20 0 GFADRO Brc1cncnc1N1CCC([NH2+]CCOc2ccccc2)CC1 ZINC000481965205 564530181 /nfs/dbraw/zinc/53/01/81/564530181.db2.gz DSCZZEDFVMZJSX-UHFFFAOYSA-N 1 0 377.286 2.877 20 0 GFADRO Cc1cc(Br)cc(C)c1CNC(=O)N[C@H](C)CN1CC[NH+](C)CC1 ZINC000517339547 564531021 /nfs/dbraw/zinc/53/10/21/564531021.db2.gz KCJLWFYYYWPQKB-OAHLLOKOSA-N 1 0 397.361 2.501 20 0 GFADRO C[C@H]1Cc2ccc(Br)cc2CN1C(=O)NCC[N@@H+]1CCCOCC1 ZINC000455006046 564531772 /nfs/dbraw/zinc/53/17/72/564531772.db2.gz VZZNBJWVQBUTRJ-AWEZNQCLSA-N 1 0 396.329 2.628 20 0 GFADRO CN(C)C(=O)[C@H]1CCCN1CCC[NH2+][C@H]1CCc2cc(Br)ccc21 ZINC000482031625 564532584 /nfs/dbraw/zinc/53/25/84/564532584.db2.gz IQWSWIRKCBZYBS-ZWKOTPCHSA-N 1 0 394.357 2.969 20 0 GFADRO N[C@@](C(=O)N1CC[C@@H]([NH+]2CCCC2)C1)(c1cccc(Cl)c1)C(F)(F)F ZINC000548192529 564535032 /nfs/dbraw/zinc/53/50/32/564535032.db2.gz NYYXOACCOKMDCW-GDBMZVCRSA-N 1 0 375.822 2.753 20 0 GFADRO [NH3+]C1(c2noc(CSCc3cc(=O)n4ccsc4n3)n2)CCCCC1 ZINC000571157680 564537980 /nfs/dbraw/zinc/53/79/80/564537980.db2.gz DLPJUYYHAYEHNM-UHFFFAOYSA-N 1 0 377.495 2.691 20 0 GFADRO Cc1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1ccccc1I)CC2 ZINC000482233160 564539181 /nfs/dbraw/zinc/53/91/81/564539181.db2.gz DXTQIYVOYRKUBU-PWSUYJOCSA-N 1 0 382.249 2.857 20 0 GFADRO O=C(CNC(=O)Nc1cc(Cl)c(Cl)cn1)NCC[NH+]1CCCCCC1 ZINC000455173914 564540747 /nfs/dbraw/zinc/54/07/47/564540747.db2.gz CXLDDUZAJJTJSN-UHFFFAOYSA-N 1 0 388.299 2.502 20 0 GFADRO CN(CCn1cc(Br)cn1)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000571240202 564541556 /nfs/dbraw/zinc/54/15/56/564541556.db2.gz MRILYDHIJJDXTK-CQSZACIVSA-N 1 0 388.354 2.653 20 0 GFADRO CN(CCn1cc(Br)cn1)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000571240199 564542148 /nfs/dbraw/zinc/54/21/48/564542148.db2.gz MRILYDHIJJDXTK-AWEZNQCLSA-N 1 0 388.354 2.653 20 0 GFADRO CCOC(=O)CC[C@@H](O)C[NH2+]C[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000571277140 564543826 /nfs/dbraw/zinc/54/38/26/564543826.db2.gz MPXQYCIEVCQLPV-WMLDXEAASA-N 1 0 399.329 2.569 20 0 GFADRO COCC[N@@H+]1CC[C@H](NC(=O)CSc2ccc(Br)cc2C)C1 ZINC000518075770 564546084 /nfs/dbraw/zinc/54/60/84/564546084.db2.gz JDOIBEPITOZDIG-AWEZNQCLSA-N 1 0 387.343 2.687 20 0 GFADRO Cc1c(Br)ccc(NC(=O)N[C@@H]2CCC[N@H+](CCCO)C2)c1F ZINC000455294377 564547214 /nfs/dbraw/zinc/54/72/14/564547214.db2.gz CQOZJWCJLUVNPY-GFCCVEGCSA-N 1 0 388.281 2.865 20 0 GFADRO O=C1[C@H]([NH2+]CC2(c3ccc(Br)cc3)CCOCC2)CCN1C1CC1 ZINC000482653099 564548068 /nfs/dbraw/zinc/54/80/68/564548068.db2.gz WIOGJMDTPAITHY-QGZVFWFLSA-N 1 0 393.325 2.850 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)N[C@@H](CCO)c2ccccc2Br)C[N@@H+]1C1CC1 ZINC000518242951 564548271 /nfs/dbraw/zinc/54/82/71/564548271.db2.gz YIVNQWBTVJVIAO-XNJGSVPQSA-N 1 0 396.329 2.797 20 0 GFADRO COc1cc(NC(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc(OC)c1Br ZINC000571414941 564549872 /nfs/dbraw/zinc/54/98/72/564549872.db2.gz MJLBCOBLBDNZOQ-IJLUTSLNSA-N 1 0 398.301 2.976 20 0 GFADRO C[NH+](C)CC(C)(C)NC(=O)Nc1ccc(-c2ccc(Br)s2)nn1 ZINC000455364462 564550092 /nfs/dbraw/zinc/55/00/92/564550092.db2.gz WZAXDADZESNZIA-UHFFFAOYSA-N 1 0 398.330 3.429 20 0 GFADRO C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)NCCNc1ncc(C(F)(F)F)cc1Cl ZINC000571419540 564550206 /nfs/dbraw/zinc/55/02/06/564550206.db2.gz KSHCYXIWLDNIKB-VHSXEESVSA-N 1 0 379.814 2.558 20 0 GFADRO C[C@@H]([NH3+])[C@@H](C)NC(=O)c1cccc(Br)c1I ZINC000571402841 564550236 /nfs/dbraw/zinc/55/02/36/564550236.db2.gz GQEQBWCVFZFJHT-RNFRBKRXSA-N 1 0 397.054 2.519 20 0 GFADRO COC(=O)C[C@H]([NH3+])C(=O)N1CCC(c2nc3cc(Cl)ccc3s2)CC1 ZINC000571435130 564551170 /nfs/dbraw/zinc/55/11/70/564551170.db2.gz FKMNDPIEEMGFLA-LBPRGKRZSA-N 1 0 381.885 2.546 20 0 GFADRO CCC[N@@H+]1CCC[C@H]1CNC(=O)Nc1cccc(C(=O)NC)c1Br ZINC000455415806 564553814 /nfs/dbraw/zinc/55/38/14/564553814.db2.gz CQTQHLMKFCYDTO-LBPRGKRZSA-N 1 0 397.317 2.805 20 0 GFADRO CC(C)[NH+]1CCC(C(=O)N(CCO)Cc2ccc(Br)s2)CC1 ZINC000482977148 564555197 /nfs/dbraw/zinc/55/51/97/564555197.db2.gz JXQRVXNJDKIXTB-UHFFFAOYSA-N 1 0 389.359 2.952 20 0 GFADRO CCn1c(CNC(=O)C[N@H+](CC)C2CC2)nc2cc(Br)ccc21 ZINC000483064785 564558252 /nfs/dbraw/zinc/55/82/52/564558252.db2.gz ZXEWLZIIBBYCMD-UHFFFAOYSA-N 1 0 379.302 2.919 20 0 GFADRO [NH3+][C@@H](Cc1ccccc1)C(=O)N1CCOc2ccc(Br)cc2C1 ZINC000571639540 564559539 /nfs/dbraw/zinc/55/95/39/564559539.db2.gz PDRAXMVZRDAYBJ-INIZCTEOSA-N 1 0 375.266 2.740 20 0 GFADRO C[C@@H](CO)[N@@H+](CC(=O)N(C)Cc1ccccc1Br)CC1CCC1 ZINC000483142860 564559721 /nfs/dbraw/zinc/55/97/21/564559721.db2.gz JHRCATAGBLVIMU-AWEZNQCLSA-N 1 0 383.330 2.890 20 0 GFADRO C[N@H+](CCCCNC(=O)NCC(=O)Nc1cccc(Br)c1)C1CC1 ZINC000455604441 564559859 /nfs/dbraw/zinc/55/98/59/564559859.db2.gz GBORKZPUOXDSOY-UHFFFAOYSA-N 1 0 397.317 2.561 20 0 GFADRO O=S1(=O)CCC(C[NH2+][C@@H](CO)c2ccc(Cl)cc2C(F)(F)F)CC1 ZINC000483256416 564561595 /nfs/dbraw/zinc/56/15/95/564561595.db2.gz DUILMRSGJQSVJJ-AWEZNQCLSA-N 1 0 385.835 2.807 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)C(=O)N1CCC(CC[NH3+])CC1 ZINC000571691906 564562802 /nfs/dbraw/zinc/56/28/02/564562802.db2.gz RXCIQVHEFYCKDD-UHFFFAOYSA-N 1 0 382.302 2.537 20 0 GFADRO Cc1ccc(F)c(Br)c1NC(=O)NC[C@H]1CCCC[N@@H+]1CCO ZINC000455688018 564564388 /nfs/dbraw/zinc/56/43/88/564564388.db2.gz ALYKYNDZFSWUOQ-GFCCVEGCSA-N 1 0 388.281 2.865 20 0 GFADRO Cc1ccc(F)c(Br)c1NC(=O)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000455691113 564564615 /nfs/dbraw/zinc/56/46/15/564564615.db2.gz GZQSJXMSJRDEGC-LBPRGKRZSA-N 1 0 388.281 2.865 20 0 GFADRO CC(C)[N@H+](C)C[C@@H](O)CN1C(=O)C[C@@](C)(c2ccc(Cl)c(Cl)c2)C1=O ZINC000571776698 564566178 /nfs/dbraw/zinc/56/61/78/564566178.db2.gz JQTLACMQZCDEGJ-ACJLOTCBSA-N 1 0 387.307 2.711 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)NC[C@@H](C)[NH+]2CCCC2)cc1Br ZINC000548602242 564566235 /nfs/dbraw/zinc/56/62/35/564566235.db2.gz TUCOTEHNFFXHHH-CYBMUJFWSA-N 1 0 382.302 2.605 20 0 GFADRO CCO[C@H](C)c1nc(CC(=O)N2C[C@@H](SC)[C@@H]([NH+]3CCCC3)C2)cs1 ZINC000483410574 564567095 /nfs/dbraw/zinc/56/70/95/564567095.db2.gz QYPMCSVLZJFJQM-VNQPRFMTSA-N 1 0 383.583 2.821 20 0 GFADRO Cc1ccc(F)c(Br)c1NC(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000455759228 564569829 /nfs/dbraw/zinc/56/98/29/564569829.db2.gz WQBNVCZUEBUFEB-LBPRGKRZSA-N 1 0 388.281 2.865 20 0 GFADRO O[C@H](C[NH2+]Cc1nc2c(cccc2Br)[nH]1)COCc1ccccc1 ZINC000571874688 564570750 /nfs/dbraw/zinc/57/07/50/564570750.db2.gz CVQYYDLDUUJCGG-CQSZACIVSA-N 1 0 390.281 2.993 20 0 GFADRO Cc1cc(N2CC[C@@H](NC(=O)CCCC[NH+](C)C)C2=O)ccc1Br ZINC000571870335 564570928 /nfs/dbraw/zinc/57/09/28/564570928.db2.gz GZFPXZTYYOWQSH-MRXNPFEDSA-N 1 0 396.329 2.711 20 0 GFADRO COCCOCCN(C)[C@H]1CCCN(c2ccc(Br)c(C)c2)C1=O ZINC000519222641 564572139 /nfs/dbraw/zinc/57/21/39/564572139.db2.gz XUTRPMLVVZXNKY-KRWDZBQOSA-N 1 0 399.329 2.848 20 0 GFADRO O=S(=O)(C1CC1)N1CCC[C@@H]([NH2+]Cc2ccc(F)cc2C(F)(F)F)C1 ZINC000571925096 564572525 /nfs/dbraw/zinc/57/25/25/564572525.db2.gz QODNWEWZIRLRHX-CYBMUJFWSA-N 1 0 380.407 2.891 20 0 GFADRO COc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)c(Cl)c1 ZINC000571954453 564573593 /nfs/dbraw/zinc/57/35/93/564573593.db2.gz ROPPDWWTGOLTDJ-HNNXBMFYSA-N 1 0 382.913 2.800 20 0 GFADRO Cc1ccc(Br)cc1CC(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000571988379 564575429 /nfs/dbraw/zinc/57/54/29/564575429.db2.gz NNNGYKFBLXFNQD-UHFFFAOYSA-N 1 0 391.313 3.402 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)Nc1cc(N(C)C)c(Br)cn1 ZINC000455858731 564575961 /nfs/dbraw/zinc/57/59/61/564575961.db2.gz CHVWNWSZKSCYPZ-LBPRGKRZSA-N 1 0 384.322 2.858 20 0 GFADRO COC(=O)c1ccc(CN2CC[NH+](CCOC(C)C)CC2)c(Br)c1 ZINC000519531076 564579702 /nfs/dbraw/zinc/57/97/02/564579702.db2.gz RMJJWXIQDCWEPP-UHFFFAOYSA-N 1 0 399.329 2.778 20 0 GFADRO CC1(C)[C@@H]2OCCC[C@H]2[C@]1([NH3+])C(=O)NCCNc1cccc(Br)c1 ZINC000519541483 564580588 /nfs/dbraw/zinc/58/05/88/564580588.db2.gz FJDAEQIWUFGQOT-RKVPGOIHSA-N 1 0 396.329 2.510 20 0 GFADRO Cc1ncc2c(n1)CC[C@@H]([NH2+]C[C@@H](O)COc1c(Cl)cccc1Cl)C2 ZINC000519540857 564580958 /nfs/dbraw/zinc/58/09/58/564580958.db2.gz NJYARYOGHFGHAO-ZIAGYGMSSA-N 1 0 382.291 2.979 20 0 GFADRO Oc1ccc(C[NH2+]C[C@H](O)COCc2ccccc2F)cc1Br ZINC000572112648 564581588 /nfs/dbraw/zinc/58/15/88/564581588.db2.gz RZHLAJWCPFTXNG-AWEZNQCLSA-N 1 0 384.245 2.961 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)c2cc(I)ccc2Cl)C1 ZINC000484115667 564582334 /nfs/dbraw/zinc/58/23/34/564582334.db2.gz YJOCERRQSVKSJV-DTWKUNHWSA-N 1 0 378.641 2.754 20 0 GFADRO CN(C(=O)c1ccnc(C[NH3+])c1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000519596106 564582609 /nfs/dbraw/zinc/58/26/09/564582609.db2.gz GTGSEJUNEOYEDG-OAHLLOKOSA-N 1 0 376.254 2.899 20 0 GFADRO CN(Cc1c(Cl)cccc1Cl)C(=O)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000484202890 564583708 /nfs/dbraw/zinc/58/37/08/564583708.db2.gz QACKYWBRAPVRIT-CHWSQXEVSA-N 1 0 386.323 2.941 20 0 GFADRO CCCC[N@H+](C)C[C@H](C)NC(=O)c1ccc(I)cn1 ZINC000456034287 564584484 /nfs/dbraw/zinc/58/44/84/564584484.db2.gz DCSBGUFUCBOUFG-NSHDSACASA-N 1 0 375.254 2.536 20 0 GFADRO COc1cc(OC)c(NC(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1Br ZINC000519630593 564584469 /nfs/dbraw/zinc/58/44/69/564584469.db2.gz VSVSCFHHABZQNQ-GRYCIOLGSA-N 1 0 398.301 2.976 20 0 GFADRO OC[C@@H](C[NH2+]C[C@H](O)Cc1ccc(F)cc1)Cc1ccc(Br)cc1 ZINC000519645579 564585261 /nfs/dbraw/zinc/58/52/61/564585261.db2.gz BRFHIFJDZDBAHZ-VQIMIIECSA-N 1 0 396.300 2.932 20 0 GFADRO COCC[NH2+]C1CCN(C(=O)[C@@H](C)c2ccc(Br)s2)CC1 ZINC000519652873 564585276 /nfs/dbraw/zinc/58/52/76/564585276.db2.gz NAUYIJRCTVTOMB-NSHDSACASA-N 1 0 375.332 2.841 20 0 GFADRO CC(C)[C@](C)([NH2+]C[C@H](O)CN1CCOCC1)c1ccc(Br)cc1 ZINC000484409344 564587481 /nfs/dbraw/zinc/58/74/81/564587481.db2.gz RSEVZDQXLRMMFB-ROUUACIJSA-N 1 0 385.346 2.603 20 0 GFADRO C[C@]1(C[NH2+]CCS(=O)(=O)c2cccc(Br)c2)CCCC[C@@H]1O ZINC000572286147 564587555 /nfs/dbraw/zinc/58/75/55/564587555.db2.gz VCPGNLWJBODRDG-JKSUJKDBSA-N 1 0 390.343 2.754 20 0 GFADRO C[C@@H]1CN(S(=O)(=O)c2ccc3ccccc3c2Br)[C@@H](C)C[NH2+]1 ZINC000572284850 564588148 /nfs/dbraw/zinc/58/81/48/564588148.db2.gz HPFPUFNUMRENES-NEPJUHHUSA-N 1 0 383.311 2.973 20 0 GFADRO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]Cc1ccc2c(c1)OCCO2 ZINC000572308013 564588431 /nfs/dbraw/zinc/58/84/31/564588431.db2.gz HUVFYCDDYPIXOC-LBPRGKRZSA-N 1 0 379.254 2.560 20 0 GFADRO O=S(=O)(c1cccc(Br)c1Cl)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000519761824 564589737 /nfs/dbraw/zinc/58/97/37/564589737.db2.gz AKDOLTFNEJVQNP-PHIMTYICSA-N 1 0 393.734 2.723 20 0 GFADRO O[C@H]1[C@@H](C[NH2+]Cc2cc3c(cc2Br)OCO3)CCC12CCOCC2 ZINC000549264401 564590793 /nfs/dbraw/zinc/59/07/93/564590793.db2.gz ZVHKLEXQMCBCKS-PXAZEXFGSA-N 1 0 398.297 2.835 20 0 GFADRO C[C@H]1C[N@H+](C)CCN1c1ccc(Br)cc1NC(=O)c1cc[nH]n1 ZINC000519806211 564591120 /nfs/dbraw/zinc/59/11/20/564591120.db2.gz INYNGYUEQSNSDS-NSHDSACASA-N 1 0 378.274 2.565 20 0 GFADRO CC(C)(C[NH2+]CCC(=O)Nc1ccc(Br)cc1)C1(O)CCOCC1 ZINC000519818292 564592250 /nfs/dbraw/zinc/59/22/50/564592250.db2.gz LUQPXCNVSXFIPA-UHFFFAOYSA-N 1 0 399.329 2.935 20 0 GFADRO O[C@H](C[NH2+]CCOc1ncc(Cl)cc1Cl)COc1ccccc1F ZINC000572393416 564593222 /nfs/dbraw/zinc/59/32/22/564593222.db2.gz JANDKGFOTWQGBA-GFCCVEGCSA-N 1 0 375.227 2.936 20 0 GFADRO Cc1ccc(Br)cc1S(=O)(=O)N1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000549511865 564595764 /nfs/dbraw/zinc/59/57/64/564595764.db2.gz AEGGXLFZIFWNBY-INIZCTEOSA-N 1 0 387.343 2.864 20 0 GFADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)Cc2c(Cl)cccc2Cl)CC1 ZINC000520240917 564599928 /nfs/dbraw/zinc/59/99/28/564599928.db2.gz UHLUAGGVNJGYRC-UHFFFAOYSA-N 1 0 386.323 2.595 20 0 GFADRO CC[C@@H]1C[N@H+](CC)CCN1C(=O)CCNC(=O)c1ccc(Br)cc1 ZINC000456353362 564601641 /nfs/dbraw/zinc/60/16/41/564601641.db2.gz OEZGHWDHSZBBDI-MRXNPFEDSA-N 1 0 396.329 2.512 20 0 GFADRO CC[N@@H+]1CCCC[C@H]1CNC(=O)c1csc(I)c1 ZINC000520349569 564602542 /nfs/dbraw/zinc/60/25/42/564602542.db2.gz DHILBCQDLFZICV-NSHDSACASA-N 1 0 378.279 2.957 20 0 GFADRO COc1cc([C@H](C)[NH2+]CCNC(=O)c2ccc(Br)cc2)ccn1 ZINC000572617228 564602622 /nfs/dbraw/zinc/60/26/22/564602622.db2.gz WNHQMAXBVXYRTR-LBPRGKRZSA-N 1 0 378.270 2.933 20 0 GFADRO COc1cc(Br)c(CN2C[C@@H]([NH+](C)C)[C@@H](SC)C2)cc1OC ZINC000520441981 564604656 /nfs/dbraw/zinc/60/46/56/564604656.db2.gz GCNZOBDDAQQXSZ-CJNGLKHVSA-N 1 0 389.359 2.944 20 0 GFADRO CSC1(CNS(=O)(=O)c2cccc(C(F)(F)F)c2)CC[NH+](C)CC1 ZINC000520462530 564605235 /nfs/dbraw/zinc/60/52/35/564605235.db2.gz UZSARBOQSIHHCK-UHFFFAOYSA-N 1 0 382.473 2.811 20 0 GFADRO O=C(CC[N@@H+](CCO)Cc1ccc(Br)s1)N1CCCCC1 ZINC000485112766 564606149 /nfs/dbraw/zinc/60/61/49/564606149.db2.gz IMQSEUWEZXMEEY-UHFFFAOYSA-N 1 0 375.332 2.708 20 0 GFADRO CCOCCC[N@@H+]1CC[C@@H](NS(=O)(=O)c2cc(F)cc(Cl)c2)[C@H](C)C1 ZINC000549815453 564607018 /nfs/dbraw/zinc/60/70/18/564607018.db2.gz QVKMMOODDMFNKM-CXAGYDPISA-N 1 0 392.924 2.894 20 0 GFADRO CC[N@H+](CCNC(=O)[C@]12CCC(=O)N1c1cc(Cl)ccc1S2)C1CC1 ZINC000520550092 564607119 /nfs/dbraw/zinc/60/71/19/564607119.db2.gz QKHOIHKHVSQPRM-GOSISDBHSA-N 1 0 379.913 2.869 20 0 GFADRO C[N@@H+]1CCC[C@@]2(CCN(S(=O)(=O)c3ccc(Br)c(F)c3)C2)C1 ZINC000549903825 564607787 /nfs/dbraw/zinc/60/77/87/564607787.db2.gz PJZPDONSCBZOET-OAHLLOKOSA-N 1 0 391.306 2.695 20 0 GFADRO Cc1cc(N(CCC2CC[NH2+]CC2)S(C)(=O)=O)ccc1Br ZINC000520567707 564608387 /nfs/dbraw/zinc/60/83/87/564608387.db2.gz UBUQUNVVNQOROL-UHFFFAOYSA-N 1 0 375.332 2.913 20 0 GFADRO CC[NH+](CC)CCNC(=O)C(=O)N[C@@H](C)c1cc(F)c(Cl)cc1Cl ZINC000549928003 564609703 /nfs/dbraw/zinc/60/97/03/564609703.db2.gz ZRMLZHPEZXIOFQ-JTQLQIEISA-N 1 0 378.275 2.768 20 0 GFADRO Cc1c(C(=O)NCC[N@@H+](C)C2CC2)cnn1-c1cccc(Br)c1 ZINC000520690631 564610353 /nfs/dbraw/zinc/61/03/53/564610353.db2.gz CNUQUHYMEDFIPA-UHFFFAOYSA-N 1 0 377.286 2.767 20 0 GFADRO CSc1ccc(OC[C@@H](O)C[NH2+]Cc2cn(C)nc2C(F)(F)F)cc1 ZINC000520798161 564613554 /nfs/dbraw/zinc/61/35/54/564613554.db2.gz PWFKQGJDSPAVCO-LBPRGKRZSA-N 1 0 375.416 2.690 20 0 GFADRO CN1CCN(C(=O)c2ccc(-c3ccc(Br)cc3)s2)[C@@H](C[NH3+])C1 ZINC000520808760 564613865 /nfs/dbraw/zinc/61/38/65/564613865.db2.gz FPLGEMBRHPBKLO-AWEZNQCLSA-N 1 0 394.338 2.893 20 0 GFADRO CCc1cc(C(=O)N(CC[NH+](CC)CC)[C@H]2CCS(=O)(=O)C2)sc1C ZINC000572904278 564615763 /nfs/dbraw/zinc/61/57/63/564615763.db2.gz VZAISEWSMMTFHF-INIZCTEOSA-N 1 0 386.583 2.590 20 0 GFADRO Cc1csc(Sc2ccc(NC(=O)NCCN3CC[NH2+]CC3)cc2)n1 ZINC000572941482 564616700 /nfs/dbraw/zinc/61/67/00/564616700.db2.gz MEUDEMYQYZXVBX-UHFFFAOYSA-N 1 0 377.539 2.629 20 0 GFADRO CO[C@@H]1[C@H](C)[C@@H]([NH2+]Cc2cc(=O)n3cc(Br)ccc3n2)C1(C)C ZINC000520969140 564616750 /nfs/dbraw/zinc/61/67/50/564616750.db2.gz ADNPWBSJFRABCD-UHNFBRDESA-N 1 0 380.286 2.606 20 0 GFADRO CS[C@@H]1CN(C(=O)Cc2ccc(F)cc2Br)C[C@@H]1[NH+](C)C ZINC000485497815 564617782 /nfs/dbraw/zinc/61/77/82/564617782.db2.gz VKVCQZHIJYZRNT-UONOGXRCSA-N 1 0 375.307 2.635 20 0 GFADRO COC1(C[NH2+]C[C@@H](O)COc2cc(F)cc(Br)c2)CCCC1 ZINC000572993287 564618339 /nfs/dbraw/zinc/61/83/39/564618339.db2.gz WJWPQEZYKSGMMJ-CQSZACIVSA-N 1 0 376.266 2.877 20 0 GFADRO O=C(NCc1ccc(Cl)cc1Cl)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000550292400 564619312 /nfs/dbraw/zinc/61/93/12/564619312.db2.gz WMHXXIQTEAYVEJ-HNNXBMFYSA-N 1 0 384.307 2.696 20 0 GFADRO C[C@@H]1CN(C(=O)Nc2ccc(I)cc2F)CC[C@@H]1[NH3+] ZINC000573021697 564619534 /nfs/dbraw/zinc/61/95/34/564619534.db2.gz ICKYPVFGKZDRAN-KCJUWKMLSA-N 1 0 377.201 2.631 20 0 GFADRO Cc1cc(C(=O)Nc2cc(Br)ccc2N2CC[N@@H+](C)C[C@@H]2C)n[nH]1 ZINC000521201661 564621571 /nfs/dbraw/zinc/62/15/71/564621571.db2.gz OOOCNFSWDHAELY-LBPRGKRZSA-N 1 0 392.301 2.873 20 0 GFADRO CCS[C@@H]1CC[C@H](N(C)C(=O)C(=O)NC[C@@H](c2cccs2)[NH+](C)C)C1 ZINC000550379723 564622381 /nfs/dbraw/zinc/62/23/81/564622381.db2.gz ZWYNIBXSDBZMHC-ZNMIVQPWSA-N 1 0 383.583 2.600 20 0 GFADRO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000573112514 564623436 /nfs/dbraw/zinc/62/34/36/564623436.db2.gz CGYYOPLMNLQZFX-HZPDHXFCSA-N 1 0 384.307 2.695 20 0 GFADRO CCC[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)c2ccc(Br)cc2)CC1 ZINC000550494635 564625951 /nfs/dbraw/zinc/62/59/51/564625951.db2.gz HXPGOPGYRGOFMM-ZDUSSCGKSA-N 1 0 396.329 2.617 20 0 GFADRO [NH3+]CCc1nc(C(=O)NCCNc2ncc(C(F)(F)F)cc2Cl)cs1 ZINC000521441465 564627093 /nfs/dbraw/zinc/62/70/93/564627093.db2.gz RKJFWKJFHHWKNL-UHFFFAOYSA-N 1 0 393.822 2.553 20 0 GFADRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)c2nn(C)cc2Br)C1 ZINC000550766969 564630732 /nfs/dbraw/zinc/63/07/32/564630732.db2.gz IKOQGNQDJNXJLY-UONOGXRCSA-N 1 0 383.334 2.909 20 0 GFADRO CS(=O)(=O)C[C@H]([NH2+]CCc1c[nH]c2ccc(Br)cc12)C1CC1 ZINC000550788797 564631578 /nfs/dbraw/zinc/63/15/78/564631578.db2.gz QKWIQIFJNKFQCA-INIZCTEOSA-N 1 0 385.327 2.886 20 0 GFADRO C[C@@H](CC[NH+](C)C)NS(=O)(=O)Cc1ccc(Cl)cc1Br ZINC000485949853 564632604 /nfs/dbraw/zinc/63/26/04/564632604.db2.gz HSNRGONBCJOODD-JTQLQIEISA-N 1 0 383.739 2.862 20 0 GFADRO C[C@@H]([NH2+]C1CC1)C(=O)NCc1cc(Br)ccc1Br ZINC000573962847 564661870 /nfs/dbraw/zinc/66/18/70/564661870.db2.gz NANPDHOMQQFSNA-MRVPVSSYSA-N 1 0 376.092 2.968 20 0 GFADRO CC[NH+]1CCN(CC(C)(C)NC(=O)COc2cc(Cl)cc(Cl)c2)CC1 ZINC000456905589 564638657 /nfs/dbraw/zinc/63/86/57/564638657.db2.gz UNENVYZLNZMQST-UHFFFAOYSA-N 1 0 388.339 2.905 20 0 GFADRO CC[NH+]1CCN(CC(C)(C)NC(=O)c2ccc(OC)c(Br)c2)CC1 ZINC000456902525 564638978 /nfs/dbraw/zinc/63/89/78/564638978.db2.gz POPJTWUHECTQRX-UHFFFAOYSA-N 1 0 398.345 2.604 20 0 GFADRO COc1ccc(Cl)cc1S(=O)(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000486249090 564645345 /nfs/dbraw/zinc/64/53/45/564645345.db2.gz APWDKJBODVEIGK-INIZCTEOSA-N 1 0 382.913 2.800 20 0 GFADRO O=S(=O)(c1ccc(OC(F)F)c(Cl)c1)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000573608418 564645925 /nfs/dbraw/zinc/64/59/25/564645925.db2.gz PVOFNLIMRKINIK-RYUDHWBXSA-N 1 0 394.871 2.952 20 0 GFADRO CC(=O)c1cc(Br)ccc1OCC(=O)N(C)[C@H]1CC[N@@H+](C(C)C)C1 ZINC000457097885 564645954 /nfs/dbraw/zinc/64/59/54/564645954.db2.gz SOLJFAAMARBUDW-HNNXBMFYSA-N 1 0 397.313 2.972 20 0 GFADRO C[C@@H]1CC[N@H+](C)CCN1C(=O)c1ccc(-n2cc(Br)cn2)cc1 ZINC000522188780 564646937 /nfs/dbraw/zinc/64/69/37/564646937.db2.gz FPAQBYHHFCRUHJ-CYBMUJFWSA-N 1 0 377.286 2.801 20 0 GFADRO NC(=O)C1CCC([NH2+]Cc2nc(-c3ccc(Br)cc3)c[nH]2)CC1 ZINC000522212989 564647360 /nfs/dbraw/zinc/64/73/60/564647360.db2.gz SSEQERXJZDWIMA-UHFFFAOYSA-N 1 0 377.286 2.973 20 0 GFADRO COCC[C@H]([NH2+]CCC(=O)N1CCN(C)CC1)c1ccc(Cl)c(Cl)c1 ZINC000551424033 564649689 /nfs/dbraw/zinc/64/96/89/564649689.db2.gz UJCXVWMQOKEQCX-KRWDZBQOSA-N 1 0 388.339 2.825 20 0 GFADRO C[C@@H](C[NH+]1CCC(C)CC1)NS(=O)(=O)c1ccccc1Br ZINC000573743426 564651596 /nfs/dbraw/zinc/65/15/96/564651596.db2.gz LYOQCCDELLYYPN-ZDUSSCGKSA-N 1 0 375.332 2.848 20 0 GFADRO CCCc1ccc(Cl)c(S(=O)(=O)N2CCN(C[C@H]3CCOC3)CC2)c1 ZINC000551515127 564652652 /nfs/dbraw/zinc/65/26/52/564652652.db2.gz XILLTKDBAZSPBQ-MRXNPFEDSA-N 1 0 386.945 2.635 20 0 GFADRO COc1ccc(CN2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)c(Br)c1O ZINC000573816216 564655012 /nfs/dbraw/zinc/65/50/12/564655012.db2.gz YWCWBYCUTYYMKA-GOEBONIOSA-N 1 0 399.329 2.882 20 0 GFADRO COc1ccc(C[NH2+]CCNS(=O)(=O)c2ccc(F)cc2Cl)c(F)c1 ZINC000573807628 564655542 /nfs/dbraw/zinc/65/55/42/564655542.db2.gz CQVRWEIGEUHGPL-UHFFFAOYSA-N 1 0 390.839 2.695 20 0 GFADRO O=S(=O)(NC[C@H]1CCC[NH2+]C1)c1ccc2ccccc2c1Br ZINC000573843865 564656162 /nfs/dbraw/zinc/65/61/62/564656162.db2.gz BCJVXJSQTPVWPP-LBPRGKRZSA-N 1 0 383.311 2.880 20 0 GFADRO C[C@H]([NH2+]C[C@@H](O)COC[C@H]1CCCO1)c1ccc(Br)cc1F ZINC000573845906 564656856 /nfs/dbraw/zinc/65/68/56/564656856.db2.gz DFMPGDFXFQJWFH-IACUBPJLSA-N 1 0 376.266 2.795 20 0 GFADRO COCC[C@H]([NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1)c1ccc(Cl)c(Cl)c1 ZINC000551723127 564661373 /nfs/dbraw/zinc/66/13/73/564661373.db2.gz FGMGFDSSEIDUPK-LRDDRELGSA-N 1 0 395.352 2.942 20 0 GFADRO Cc1cc(Br)cc(C)c1S(=O)(=O)N1CC[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000486668939 564662207 /nfs/dbraw/zinc/66/22/07/564662207.db2.gz CEWJBFCPFGKCJT-HIFRSBDPSA-N 1 0 387.343 2.781 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)c1cn(Cc2ccc(Cl)cc2Cl)nn1)C1CC1 ZINC000457470390 564662366 /nfs/dbraw/zinc/66/23/66/564662366.db2.gz DEFJQZNGNWRKJL-INIZCTEOSA-N 1 0 382.295 2.703 20 0 GFADRO Ic1cccc(C[N@@H+]2CCC[C@@H](Cn3ccnn3)C2)c1 ZINC000551808474 564664656 /nfs/dbraw/zinc/66/46/56/564664656.db2.gz SYQNKYSCKACVCH-CQSZACIVSA-N 1 0 382.249 2.795 20 0 GFADRO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)Nc1nccn1Cc1ccc(Br)cc1 ZINC000486724855 564664692 /nfs/dbraw/zinc/66/46/92/564664692.db2.gz XAUWJBBJEUQDCT-WFASDCNBSA-N 1 0 377.286 2.830 20 0 GFADRO CCN1CC[NH+](CCCCNC(=O)c2sc(C)cc2Br)CC1 ZINC000457557058 564665739 /nfs/dbraw/zinc/66/57/39/564665739.db2.gz OMPBDWHPAGWUJL-UHFFFAOYSA-N 1 0 388.375 2.967 20 0 GFADRO CC[NH+](CC)[C@@H](CNC(=O)c1csc(-c2nc[nH]n2)n1)c1ccsc1 ZINC000523381321 564665862 /nfs/dbraw/zinc/66/58/62/564665862.db2.gz BNTOKBWCBXVJQK-ZDUSSCGKSA-N 1 0 376.511 2.803 20 0 GFADRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)NCc2n[nH]cc2Br)C1 ZINC000523432105 564667189 /nfs/dbraw/zinc/66/71/89/564667189.db2.gz BKPXRMRUQQWUJW-UONOGXRCSA-N 1 0 398.349 2.968 20 0 GFADRO O=C(CN1CC[C@H]2C[NH2+]C[C@H]2CC1)Nc1c(F)cc(F)cc1Br ZINC000574083782 564668112 /nfs/dbraw/zinc/66/81/12/564668112.db2.gz HQMMHNSOHHEVJL-PHIMTYICSA-N 1 0 388.256 2.597 20 0 GFADRO O=S(=O)(c1cccc(OC(F)(F)F)c1)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000574081535 564668298 /nfs/dbraw/zinc/66/82/98/564668298.db2.gz CUUHFYVXFOZHKU-QWHCGFSZSA-N 1 0 378.416 2.595 20 0 GFADRO CS[C@@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)c(C)c2)C[C@H]1[NH+](C)C ZINC000574121353 564669015 /nfs/dbraw/zinc/66/90/15/564669015.db2.gz DCSYPZIQPBDCFY-ZIAGYGMSSA-N 1 0 382.473 2.680 20 0 GFADRO CCOc1cc(C[NH2+]C[C@]2(N3CCOCC3)CCSC2)cc(Cl)c1O ZINC000574144078 564669928 /nfs/dbraw/zinc/66/99/28/564669928.db2.gz MVFAFMATUAIKCW-GOSISDBHSA-N 1 0 386.945 2.742 20 0 GFADRO O=C(C[NH2+][C@H](CCO)c1ccc(Cl)c(Cl)c1)NC(=O)NC1CCCC1 ZINC000552006543 564673369 /nfs/dbraw/zinc/67/33/69/564673369.db2.gz QBVQTPDQDTWHCD-OAHLLOKOSA-N 1 0 388.295 2.775 20 0 GFADRO CC(C)O[C@@H]1C[C@H]([NH2+]C[C@H]2CCN(S(=O)(=O)c3cccs3)C2)C1(C)C ZINC000552088568 564676494 /nfs/dbraw/zinc/67/64/94/564676494.db2.gz MEXLJVQSFKKSCN-OWCLPIDISA-N 1 0 386.583 2.940 20 0 GFADRO CC(C)[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000574512347 564677229 /nfs/dbraw/zinc/67/72/29/564677229.db2.gz PTMLYHVUKFYRLT-CRAIPNDOSA-N 1 0 383.945 2.758 20 0 GFADRO CC[C@H]1CN(CC[NH2+]Cc2cn(-c3ccc(Cl)cc3Cl)nn2)CCO1 ZINC000487152669 564677504 /nfs/dbraw/zinc/67/75/04/564677504.db2.gz IQGATCSYUMLLSZ-HNNXBMFYSA-N 1 0 384.311 2.775 20 0 GFADRO C[C@H](Cc1ccc(Br)cc1)[NH2+]C[C@H]1CCCCN1S(C)(=O)=O ZINC000552097053 564677592 /nfs/dbraw/zinc/67/75/92/564677592.db2.gz RPAZGGMVWCWQIS-CZUORRHYSA-N 1 0 389.359 2.784 20 0 GFADRO O=S(=O)(c1cccs1)N1CC[C@@H](C[NH2+]Cc2ncc(Cl)s2)C1 ZINC000552172377 564679631 /nfs/dbraw/zinc/67/96/31/564679631.db2.gz IJLIIJSWWSUBPJ-JTQLQIEISA-N 1 0 377.944 2.658 20 0 GFADRO COCCOC[C@@H](O)C[NH2+]CC(C)(C)c1ccc(Br)cc1Cl ZINC000574566466 564679855 /nfs/dbraw/zinc/67/98/55/564679855.db2.gz PBJGGFTYPGWQLR-ZDUSSCGKSA-N 1 0 394.737 2.994 20 0 GFADRO C[NH+](C)C[C@@H]1CCCN1C(=O)c1ccc(-n2cc(Br)cn2)cc1 ZINC000524320982 564680007 /nfs/dbraw/zinc/68/00/07/564680007.db2.gz GZJBJRXOUCCKOZ-INIZCTEOSA-N 1 0 377.286 2.801 20 0 GFADRO C[N@@H+]1CC[C@H](Nc2cnc(N3CCOCC3)c(Br)c2)[C@H]2CCC[C@@H]21 ZINC000552257746 564683518 /nfs/dbraw/zinc/68/35/18/564683518.db2.gz UXJKCZHEGGHJIM-PVAVHDDUSA-N 1 0 395.345 2.965 20 0 GFADRO CCn1c(SCC(=O)NCC[N@@H+]2CC[C@H](C)C2)nnc1-c1cccs1 ZINC000524720358 564686670 /nfs/dbraw/zinc/68/66/70/564686670.db2.gz MQZKKABDEFUIJY-ZDUSSCGKSA-N 1 0 379.555 2.577 20 0 GFADRO Cc1cc(Cl)ccc1S(=O)(=O)NCC[NH2+][C@@H]1[C@H]2CCCO[C@H]2C1(C)C ZINC000552335675 564686944 /nfs/dbraw/zinc/68/69/44/564686944.db2.gz ZTIYIYWXEYKSQB-DJIMGWMZSA-N 1 0 386.945 2.720 20 0 GFADRO CSc1ccc(Cl)c(C(=O)NCC(=O)NCC[NH+]2CCCCCC2)c1 ZINC000552354882 564687505 /nfs/dbraw/zinc/68/75/05/564687505.db2.gz OUHNXUHGEFJNDJ-UHFFFAOYSA-N 1 0 383.945 2.784 20 0 GFADRO COC1(C(=O)N(C)Cc2ccc(Br)cc2Cl)CC[NH2+]CC1 ZINC000574917520 564688543 /nfs/dbraw/zinc/68/85/43/564688543.db2.gz FUZPCLBFZFKQHA-UHFFFAOYSA-N 1 0 375.694 2.830 20 0 GFADRO COC(=O)c1ccc(OC[C@H](O)C[NH2+]Cc2ccccc2Br)cc1 ZINC000574911817 564689312 /nfs/dbraw/zinc/68/93/12/564689312.db2.gz FHNBDIRIWOHZSI-OAHLLOKOSA-N 1 0 394.265 2.765 20 0 GFADRO Cn1ncc(Br)c1C[NH2+]CCN1CCc2c(Cl)cccc2C1 ZINC000487556871 564691232 /nfs/dbraw/zinc/69/12/32/564691232.db2.gz JDGKRTKCCZOUSI-UHFFFAOYSA-N 1 0 383.721 2.984 20 0 GFADRO Cc1nc(-c2ccc(CNC(=O)C3C[C@@H]4C[NH2+]C[C@H](C3)C4=O)s2)cs1 ZINC000575044018 564691866 /nfs/dbraw/zinc/69/18/66/564691866.db2.gz CBWIHPOXIVTMHX-YHWZYXNKSA-N 1 0 375.519 2.611 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)C2CCN(C(=O)c3ccc(Cl)s3)CC2)CC[N@@H+]1C ZINC000525102702 564692705 /nfs/dbraw/zinc/69/27/05/564692705.db2.gz WHLRFMQMGGIHJL-TZMCWYRMSA-N 1 0 383.945 2.853 20 0 GFADRO C[NH+](C)CCN(Cc1ccsc1)C(=O)[C@H]1CCCN(CC(F)(F)F)C1 ZINC000458209306 564694416 /nfs/dbraw/zinc/69/44/16/564694416.db2.gz YDXOFXSHOLBIDU-HNNXBMFYSA-N 1 0 377.476 2.913 20 0 GFADRO CC(C)[N@H+](C)CCNC(=O)NCCC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000458216253 564694706 /nfs/dbraw/zinc/69/47/06/564694706.db2.gz LCUNLQZUJWYTAC-UHFFFAOYSA-N 1 0 375.300 2.961 20 0 GFADRO C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1Br ZINC000575311520 564695788 /nfs/dbraw/zinc/69/57/88/564695788.db2.gz KPYJPJZCKHCYII-SFYZADRCSA-N 1 0 396.207 2.648 20 0 GFADRO O=C(NCCNc1cc[nH+]cc1)N[C@@H]1C[C@H]1c1ccccc1Br ZINC000575240467 564695884 /nfs/dbraw/zinc/69/58/84/564695884.db2.gz GYRCFFGSUOUULQ-GOEBONIOSA-N 1 0 375.270 2.533 20 0 GFADRO C[C@H](CC[NH+](C)C)NC(=O)N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000487875210 564698317 /nfs/dbraw/zinc/69/83/17/564698317.db2.gz GXZCCACZGIUZFP-ABAIWWIYSA-N 1 0 387.311 2.738 20 0 GFADRO C[C@@H](C[NH+]1CCCCC1)NC(=O)NCC(=O)Nc1cccc(Br)c1 ZINC000487893250 564699204 /nfs/dbraw/zinc/69/92/04/564699204.db2.gz GKACURQDOGWEOE-ZDUSSCGKSA-N 1 0 397.317 2.561 20 0 GFADRO CC(C)CN(C(=O)C[NH2+][C@H](C)c1cccc(Cl)c1)[C@H]1CCS(=O)(=O)C1 ZINC000487971444 564701072 /nfs/dbraw/zinc/70/10/72/564701072.db2.gz NWNNZVDXKMEPOM-PBHICJAKSA-N 1 0 386.945 2.662 20 0 GFADRO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCCc1ccc(I)s1 ZINC000525477006 564701547 /nfs/dbraw/zinc/70/15/47/564701547.db2.gz PHUTVJLQOIHTQW-GHMZBOCLSA-N 1 0 392.306 2.884 20 0 GFADRO CC1(C)C[NH2+][C@H]1C1CCN(C(=O)c2[nH]nc(C3CC3)c2Br)CC1 ZINC000575747154 564703115 /nfs/dbraw/zinc/70/31/15/564703115.db2.gz ABKAYECPCBAKQA-HNNXBMFYSA-N 1 0 381.318 2.900 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)c2cc(=O)c3cc(Br)ccc3[nH]2)CC[N@@H+]1C ZINC000525620077 564703416 /nfs/dbraw/zinc/70/34/16/564703416.db2.gz ZWFQQYNTPIJUSZ-PWSUYJOCSA-N 1 0 378.270 2.503 20 0 GFADRO COC[C@]1(CNC(=O)N[C@H](C)c2ccc(Br)s2)CCC[NH2+]1 ZINC000576015235 564704843 /nfs/dbraw/zinc/70/48/43/564704843.db2.gz YDELREMADUCMIP-QMTHXVAHSA-N 1 0 376.320 2.639 20 0 GFADRO C[C@H](O)C[C@H]1CCCC[N@@H+]1C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000576189277 564706849 /nfs/dbraw/zinc/70/68/49/564706849.db2.gz WYSMRERVOIXJGY-APHBMKBZSA-N 1 0 390.293 2.953 20 0 GFADRO CN(Cc1cc(=O)n2cc(Br)ccc2n1)C(C)(C)C[NH+]1CCCC1 ZINC000576212997 564707306 /nfs/dbraw/zinc/70/73/06/564707306.db2.gz ZUIUYIWLVVCQBD-UHFFFAOYSA-N 1 0 393.329 2.763 20 0 GFADRO Cc1cc(Br)cn2cc(CCNC(=O)NC(C)(C)C[NH+](C)C)nc12 ZINC000458658277 564710908 /nfs/dbraw/zinc/71/09/08/564710908.db2.gz KQYPONYSUKSYLN-UHFFFAOYSA-N 1 0 396.333 2.587 20 0 GFADRO Cc1cc(NC[C@H]2CCN(S(=O)(=O)c3cccs3)C2)nc(C(C)C)n1 ZINC000553266756 564714582 /nfs/dbraw/zinc/71/45/82/564714582.db2.gz SQCVRSNNFCOZSA-CQSZACIVSA-N 1 0 380.539 3.093 20 0 GFADRO O=C(N[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000458742338 564716141 /nfs/dbraw/zinc/71/61/41/564716141.db2.gz SWYLTRMTHBBFHH-JLJPHGGASA-N 1 0 386.323 2.995 20 0 GFADRO COCC[N@H+](C)CCNC(=O)N[C@@H]1c2cc(Br)ccc2CC1(C)C ZINC000488661930 564717201 /nfs/dbraw/zinc/71/72/01/564717201.db2.gz ZFMLWRSUHYPTHB-MRXNPFEDSA-N 1 0 398.345 2.950 20 0 GFADRO CO[C@@H]1[C@@H](C)[C@@H]([NH2+]CCS(=O)(=O)c2ccc(Br)cc2)C1(C)C ZINC000553421753 564719515 /nfs/dbraw/zinc/71/95/15/564719515.db2.gz AXQUIPRDQHBGAQ-NILFDRSVSA-N 1 0 390.343 2.872 20 0 GFADRO O=C(NC[C@H]1CCC[NH2+]1)Nc1cccc(Oc2ncc(Br)cn2)c1 ZINC000576805338 564719759 /nfs/dbraw/zinc/71/97/59/564719759.db2.gz QVDZEJGVHZQAGO-CYBMUJFWSA-N 1 0 392.257 2.905 20 0 GFADRO C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)c1cnn(-c2ccc(Br)cc2)c1 ZINC000576816274 564720999 /nfs/dbraw/zinc/72/09/99/564720999.db2.gz UAQVJJOKBNGZRW-HSMVNMDESA-N 1 0 377.286 2.751 20 0 GFADRO C[C@@H](NC(=O)NCC[N@@H+]1CCCOCC1)c1ccc(Br)s1 ZINC000526955659 564723772 /nfs/dbraw/zinc/72/37/72/564723772.db2.gz NXEYSQLHQVIMIZ-LLVKDONJSA-N 1 0 376.320 2.593 20 0 GFADRO C[NH+](C)CCOc1ccc(CNS(=O)(=O)c2cc(F)ccc2Cl)cc1 ZINC000488944146 564724075 /nfs/dbraw/zinc/72/40/75/564724075.db2.gz RYZDESFGPRIJPW-UHFFFAOYSA-N 1 0 386.876 2.898 20 0 GFADRO C[C@@H]1Cc2cc(S(=O)(=O)N3CC[C@@H]([NH+]4CCCC4)[C@H]3C)cc(Cl)c2O1 ZINC000553557517 564725962 /nfs/dbraw/zinc/72/59/62/564725962.db2.gz HQTFMBJUEFIMPX-PBFPGSCMSA-N 1 0 384.929 2.911 20 0 GFADRO C[C@@H]1[C@H]([N@H+](C)CCO)CCN1C(=O)NC/C=C\c1ccc(Br)cc1 ZINC000458988476 564727574 /nfs/dbraw/zinc/72/75/74/564727574.db2.gz XUJAUDMEMVKNDK-SWTGODCJSA-N 1 0 396.329 2.559 20 0 GFADRO CCN(CCC[NH+](C)C)C(=O)c1cc(I)ccc1F ZINC000527059108 564728849 /nfs/dbraw/zinc/72/88/49/564728849.db2.gz YUWJCSJUSXFTRU-UHFFFAOYSA-N 1 0 378.229 2.844 20 0 GFADRO COCC[NH+]1CCC(NC(=O)NCC(F)(F)c2ccc(Cl)cc2)CC1 ZINC000553600314 564728943 /nfs/dbraw/zinc/72/89/43/564728943.db2.gz RHMDJDLLPWNLIS-UHFFFAOYSA-N 1 0 375.847 2.842 20 0 GFADRO CC[NH+](CC)[C@H](C)CNC(=O)c1cccc(F)c1I ZINC000527153595 564731765 /nfs/dbraw/zinc/73/17/65/564731765.db2.gz NNOWOGXTFGORNS-SNVBAGLBSA-N 1 0 378.229 2.890 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)[C@H]1CCN(CC(F)(F)F)C1)c1ccc(Cl)cc1 ZINC000527166843 564732863 /nfs/dbraw/zinc/73/28/63/564732863.db2.gz NWERZMBFJPICLX-ZFWWWQNUSA-N 1 0 377.838 2.943 20 0 GFADRO COC(=O)C(C)(C)CC[NH2+]CCOc1ccc(I)cc1 ZINC000577300501 564733588 /nfs/dbraw/zinc/73/35/88/564733588.db2.gz GWXWVMGTRKPMMC-UHFFFAOYSA-N 1 0 391.249 2.849 20 0 GFADRO CC[N@H+](CCNC(=O)NCC(=O)Nc1cc(Cl)ccc1Cl)C(C)C ZINC000527221526 564734155 /nfs/dbraw/zinc/73/41/55/564734155.db2.gz SZQXPBPHIXNKIG-UHFFFAOYSA-N 1 0 375.300 2.961 20 0 GFADRO C[C@@H]1C[C@@H]1[N@@H+]1CCN(C(=O)C(=O)c2ccc(Br)cc2)C[C@@H](C)C1 ZINC000553783475 564735949 /nfs/dbraw/zinc/73/59/49/564735949.db2.gz QFMMSCMDJYCGRI-ZENOOKHLSA-N 1 0 379.298 2.821 20 0 GFADRO CC(C)[C@H]1CN(C(=O)c2ccc(I)c(F)c2)CC[N@@H+]1C ZINC000489353887 564737064 /nfs/dbraw/zinc/73/70/64/564737064.db2.gz SFRHXQBJSMFFDV-CQSZACIVSA-N 1 0 390.240 2.843 20 0 GFADRO CC(C)[NH+]1CCC(C(=O)N[C@@H](CO)c2ccc(Br)c(F)c2)CC1 ZINC000553796528 564737118 /nfs/dbraw/zinc/73/71/18/564737118.db2.gz SBVBUUWZQJSMLM-INIZCTEOSA-N 1 0 387.293 2.858 20 0 GFADRO CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@@H](CO)c1ccc(Br)c(F)c1 ZINC000553815954 564738085 /nfs/dbraw/zinc/73/80/85/564738085.db2.gz QIGYACZJTVKHHI-YGRLFVJLSA-N 1 0 375.282 2.905 20 0 GFADRO NC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1CC1=Cc2cc(Br)ccc2OC1 ZINC000527303312 564738270 /nfs/dbraw/zinc/73/82/70/564738270.db2.gz IDKYPTJUVQLMQF-NUTKFTJISA-N 1 0 377.282 2.811 20 0 GFADRO C[C@@H](CNC(=O)N1CC[C@]2(CC[N@H+](C)C2)C1)Oc1ccc(Br)cc1 ZINC000489393496 564739061 /nfs/dbraw/zinc/73/90/61/564739061.db2.gz CUOHVZFVDGEHCC-KSSFIOAISA-N 1 0 396.329 2.954 20 0 GFADRO C[C@H]1CN(C(=O)c2cc(Br)cnc2N(C)C)CC[N@@H+](C2CCC2)C1 ZINC000553866903 564741829 /nfs/dbraw/zinc/74/18/29/564741829.db2.gz IEYLVISWVQMNSA-CYBMUJFWSA-N 1 0 395.345 2.857 20 0 GFADRO CCO[C@@H]1C[C@H]([NH2+]C[C@@H](O)COc2ccc(C(F)(F)F)cc2)[C@H]1SC ZINC000459399497 564742964 /nfs/dbraw/zinc/74/29/64/564742964.db2.gz VACINPDCHRKIPL-SLBVQIDZSA-N 1 0 379.444 2.944 20 0 GFADRO CCOc1cc(C[NH2+][C@@H]2CCc3nc(CC)nn3C2)cc(Br)c1O ZINC000459405376 564743741 /nfs/dbraw/zinc/74/37/41/564743741.db2.gz SKKRCORZGRNNPN-GFCCVEGCSA-N 1 0 395.301 2.812 20 0 GFADRO CC(=O)NCC[C@H]1CCC[N@H+](C[C@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000553960773 564745989 /nfs/dbraw/zinc/74/59/89/564745989.db2.gz KOLYMSNUXHWPER-ZBFHGGJFSA-N 1 0 389.323 2.971 20 0 GFADRO C[C@H]1NC(=O)N(CC[NH2+][C@@H]2c3cc(Br)ccc3CC2(C)C)C1=O ZINC000459485659 564747318 /nfs/dbraw/zinc/74/73/18/564747318.db2.gz DUSLTZHMQDRXPI-QMTHXVAHSA-N 1 0 380.286 2.602 20 0 GFADRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1cccc(I)c1 ZINC000579629080 564749628 /nfs/dbraw/zinc/74/96/28/564749628.db2.gz RCOBPVSYQSSALL-WFASDCNBSA-N 1 0 384.261 2.990 20 0 GFADRO CON1CCC([N@H+](C)Cc2nc(-c3cccc(Br)c3)no2)CC1 ZINC000459573629 564751444 /nfs/dbraw/zinc/75/14/44/564751444.db2.gz CKFXBHOJWFAVKN-UHFFFAOYSA-N 1 0 381.274 2.957 20 0 GFADRO C[N@@H+]1CC[C@]2(CCN(C(=O)c3cc(I)ccc3F)C2)C1 ZINC000554142256 564751857 /nfs/dbraw/zinc/75/18/57/564751857.db2.gz RNGZKSCXRIJBPZ-HNNXBMFYSA-N 1 0 388.224 2.598 20 0 GFADRO CN(CC1([NH+](C)C)CCC1)S(=O)(=O)c1cccc(OC(F)(F)F)c1F ZINC000489784909 564752555 /nfs/dbraw/zinc/75/25/55/564752555.db2.gz YOFSDJHDHRROHL-UHFFFAOYSA-N 1 0 384.395 2.829 20 0 GFADRO NC(=O)C[C@@H]([NH2+]Cc1ccc(Cl)c(Br)c1)C1CCOCC1 ZINC000554185353 564753183 /nfs/dbraw/zinc/75/31/83/564753183.db2.gz LSCWFUPJJSWZGR-CQSZACIVSA-N 1 0 375.694 2.863 20 0 GFADRO CC[C@@H]1C[N@H+](C)CCCN1S(=O)(=O)c1cccc(OC(F)(F)F)c1F ZINC000489802199 564753495 /nfs/dbraw/zinc/75/34/95/564753495.db2.gz KEZNFEWLSVYCQC-LLVKDONJSA-N 1 0 384.395 2.829 20 0 GFADRO O[C@H]1CCCC[C@H]1[NH+]1CCC(NCc2ncc(Br)cc2F)CC1 ZINC000527672638 564753940 /nfs/dbraw/zinc/75/39/40/564753940.db2.gz BSBUQFGJMUGKHP-SJORKVTESA-N 1 0 386.309 2.841 20 0 GFADRO CCNC(=O)N1CC[C@@H]([NH2+]Cc2c[nH]nc2-c2ccc(Br)s2)C1 ZINC000527678685 564755090 /nfs/dbraw/zinc/75/50/90/564755090.db2.gz VEXQUHFNIKBUJV-LLVKDONJSA-N 1 0 398.330 2.794 20 0 GFADRO C[N@H+](Cc1cc(F)c(C(F)(F)F)cc1F)C1CCN(S(C)(=O)=O)CC1 ZINC000554241694 564755098 /nfs/dbraw/zinc/75/50/98/564755098.db2.gz QRGBWAPAKORLNT-UHFFFAOYSA-N 1 0 386.386 2.839 20 0 GFADRO Clc1ccc(Cc2nc(CN3CCN([C@@H]4CC[NH2+]C4)CC3)cs2)cc1 ZINC000489860133 564755350 /nfs/dbraw/zinc/75/53/50/564755350.db2.gz OMEPXXIJJZCHIQ-GOSISDBHSA-N 1 0 376.957 2.867 20 0 GFADRO C[C@H](NC(=O)NCC[N@@H+]1CCCC(C)(C)C1)c1ncc(Br)cn1 ZINC000580411499 564757178 /nfs/dbraw/zinc/75/71/78/564757178.db2.gz HZEZNXZADGBLMA-LBPRGKRZSA-N 1 0 384.322 2.721 20 0 GFADRO Cc1ccc(-c2csc(NC(=O)C[NH2+]C3(CO)CCSCC3)n2)cc1 ZINC000459708738 564757498 /nfs/dbraw/zinc/75/74/98/564757498.db2.gz XJOHSFRXNBCHPE-UHFFFAOYSA-N 1 0 377.535 2.905 20 0 GFADRO COc1ccncc1CNC(=O)c1cc(Br)c(OC)c(OC)c1 ZINC000554369390 564758382 /nfs/dbraw/zinc/75/83/82/564758382.db2.gz PYFMVBXDDAHGPK-UHFFFAOYSA-N 1 0 381.226 2.800 20 0 GFADRO C[C@@H]1CN(S(=O)(=O)c2ccc3ccccc3c2Br)CC[C@@H]1[NH3+] ZINC000580429813 564758422 /nfs/dbraw/zinc/75/84/22/564758422.db2.gz CMUPPQYMSVBQEG-RISCZKNCSA-N 1 0 383.311 2.960 20 0 GFADRO C[C@H]([NH2+]CC1(N2CCOCC2)CCOCC1)c1ccc(Br)cc1 ZINC000459725396 564758525 /nfs/dbraw/zinc/75/85/25/564758525.db2.gz ZWROAYPRBCBNGW-HNNXBMFYSA-N 1 0 383.330 2.981 20 0 GFADRO CC(C)c1nn(-c2ccc(Br)cc2)cc1C[N@@H+]1C[C@H](O)[C@@H](CO)C1 ZINC000459715647 564758878 /nfs/dbraw/zinc/75/88/78/564758878.db2.gz VBHIZCXYPKIXQB-PBHICJAKSA-N 1 0 394.313 2.543 20 0 GFADRO COc1cc(Cl)c(C[NH2+]CC2(N3CCOCC3)CCOCC2)cc1Cl ZINC000459718704 564758903 /nfs/dbraw/zinc/75/89/03/564758903.db2.gz SKYWMDSECPIWBZ-UHFFFAOYSA-N 1 0 389.323 2.973 20 0 GFADRO CC(C)[C@@H](CO)C[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000580444951 564759506 /nfs/dbraw/zinc/75/95/06/564759506.db2.gz CGLWOXZFJOQJPE-DGCLKSJQSA-N 1 0 380.710 2.696 20 0 GFADRO Cc1cc(Br)c(C[NH2+]C[C@@]2(CO)COCC3(CCC3)N2C)s1 ZINC000527752406 564759602 /nfs/dbraw/zinc/75/96/02/564759602.db2.gz GFIMKTMKEVPIER-MRXNPFEDSA-N 1 0 389.359 2.524 20 0 GFADRO Cc1cc(Br)c(C[NH2+]C[C@]2(CO)COCC3(CCC3)N2C)s1 ZINC000527752400 564759683 /nfs/dbraw/zinc/75/96/83/564759683.db2.gz GFIMKTMKEVPIER-INIZCTEOSA-N 1 0 389.359 2.524 20 0 GFADRO Cc1cc(Br)cc(C[NH2+]C[C@H](O)[C@H]2CCCO2)c1OC(F)F ZINC000527757194 564759730 /nfs/dbraw/zinc/75/97/30/564759730.db2.gz IOPFKACKYULROW-QWHCGFSZSA-N 1 0 380.229 2.988 20 0 GFADRO CC[C@@H]1OCC[C@H]1[NH2+]Cc1cc(I)c(OC)c(OC)c1 ZINC000459737966 564760125 /nfs/dbraw/zinc/76/01/25/564760125.db2.gz IUPFREHNDCLKCO-OLZOCXBDSA-N 1 0 391.249 2.966 20 0 GFADRO C[C@]1(n2cc(C[NH2+]C[C@@H]3CCCCC(F)(F)C3)cn2)CCS(=O)(=O)C1 ZINC000580511478 564761025 /nfs/dbraw/zinc/76/10/25/564761025.db2.gz WQSNFQAUENASOJ-ZBFHGGJFSA-N 1 0 375.485 2.722 20 0 GFADRO C[C@H]([NH2+]C[C@H]1CCCN1S(C)(=O)=O)c1cc(F)c(Br)cc1F ZINC000527874889 564763453 /nfs/dbraw/zinc/76/34/53/564763453.db2.gz HXWRZSUPJVSBDX-VHSXEESVSA-N 1 0 397.285 2.802 20 0 GFADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@]1(C)COc2ccccc2O1 ZINC000527928248 564765540 /nfs/dbraw/zinc/76/55/40/564765540.db2.gz IMBASVOTMJCHNC-FZKQIMNGSA-N 1 0 393.281 2.819 20 0 GFADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)CCOc3ccc(Br)cc3F)[C@@H]2C1 ZINC000490275908 564767064 /nfs/dbraw/zinc/76/70/64/564767064.db2.gz QNECLHWCYNCUAA-IUODEOHRSA-N 1 0 385.277 2.910 20 0 GFADRO C[N@@H+]1CC[C@H]2CCN(C(=O)CCOc3ccc(Br)cc3F)[C@H]2C1 ZINC000490275910 564767093 /nfs/dbraw/zinc/76/70/93/564767093.db2.gz QNECLHWCYNCUAA-WFASDCNBSA-N 1 0 385.277 2.910 20 0 GFADRO O=S(=O)(N[C@H]1CC[NH2+]C12CCC2)c1ccc(Br)cc1Cl ZINC000528051312 564768295 /nfs/dbraw/zinc/76/82/95/564768295.db2.gz LPDPZAABNCJOKO-LBPRGKRZSA-N 1 0 379.707 2.665 20 0 GFADRO C[NH+]1CCN(c2cccc(-c3noc([C@@H]4C[C@@]4(C)Br)n3)n2)CC1 ZINC000528146134 564771627 /nfs/dbraw/zinc/77/16/27/564771627.db2.gz GKJSBVDFVHTJSS-MEDUHNTESA-N 1 0 378.274 2.524 20 0 GFADRO C[N@@H+]1CC[C@](O)(CNC(=O)NCCSCc2ccc(Cl)cc2Cl)C1 ZINC000460218198 564771614 /nfs/dbraw/zinc/77/16/14/564771614.db2.gz SZDCQLWRVJHYMX-INIZCTEOSA-N 1 0 392.352 2.592 20 0 GFADRO CC[C@@H](CSC)N(C)C(=O)C(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000554743891 564772595 /nfs/dbraw/zinc/77/25/95/564772595.db2.gz SNJOUXTZGSXNCE-JKSUJKDBSA-N 1 0 385.961 2.659 20 0 GFADRO CCOc1c(Br)cc(Br)cc1C[N@H+](C)CCC(N)=O ZINC000554878293 564775278 /nfs/dbraw/zinc/77/52/78/564775278.db2.gz JZHQIGQARKEIIA-UHFFFAOYSA-N 1 0 394.107 2.918 20 0 GFADRO C[C@H](NC(=O)[C@H]1C[C@@]1(C)Br)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000528329185 564777974 /nfs/dbraw/zinc/77/79/74/564777974.db2.gz SKAGSJBNFRXNFV-WBHUJUFNSA-N 1 0 398.320 2.928 20 0 GFADRO COCCCN(C1CC[NH+](C)CC1)S(=O)(=O)Cc1ccc(F)c(Cl)c1 ZINC000554963586 564779466 /nfs/dbraw/zinc/77/94/66/564779466.db2.gz DUTQBESVYPJBEG-UHFFFAOYSA-N 1 0 392.924 2.742 20 0 GFADRO C[C@H](CNC(=O)C[N@H+](C)[C@H]1CCSC1)Oc1ccc(Br)cc1 ZINC000491060024 564785478 /nfs/dbraw/zinc/78/54/78/564785478.db2.gz VBFREVASVQDUNE-OCCSQVGLSA-N 1 0 387.343 2.770 20 0 GFADRO CC(C)(C)[NH2+]CCNC(=O)C(=O)Nc1ccc(-c2ccc(Cl)s2)nc1 ZINC000555273298 564788304 /nfs/dbraw/zinc/78/83/04/564788304.db2.gz ZOTRZRXOPIQBMH-UHFFFAOYSA-N 1 0 380.901 2.906 20 0 GFADRO COc1cc(Br)c(CN2CCC(OCC[NH+](C)C)CC2)cc1O ZINC000491217757 564788894 /nfs/dbraw/zinc/78/88/94/564788894.db2.gz SCNFLABAWHBUIM-UHFFFAOYSA-N 1 0 387.318 2.706 20 0 GFADRO Cc1c(Br)ccnc1NC(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000581180074 564791142 /nfs/dbraw/zinc/79/11/42/564791142.db2.gz FLTLOBDJVBJTSQ-HUUCEWRRSA-N 1 0 397.317 2.652 20 0 GFADRO C[N@@H+]1CCC[C@@]2(CCN(S(=O)(=O)c3cccc(Br)c3F)C2)C1 ZINC000555407103 564792296 /nfs/dbraw/zinc/79/22/96/564792296.db2.gz PKUNYCFOOFUVEZ-OAHLLOKOSA-N 1 0 391.306 2.695 20 0 GFADRO CC[C@H](C(=O)N[C@H](C(=O)OC)c1ccc(Br)cc1)[NH+](CC)CC ZINC000461340894 564794509 /nfs/dbraw/zinc/79/45/09/564794509.db2.gz OECCXVKASNNGBI-CABCVRRESA-N 1 0 385.302 2.900 20 0 GFADRO CCOCCOc1ccc(Br)cc1C[NH2+]C[C@@]1(OC)CCOC1 ZINC000461411014 564795952 /nfs/dbraw/zinc/79/59/52/564795952.db2.gz KQWDWMJAWXEPRE-KRWDZBQOSA-N 1 0 388.302 2.760 20 0 GFADRO OC[C@H]1CCC2(CCOCC2)C[N@@H+]1Cc1cc2c(cc1Br)OCO2 ZINC000528639735 564798108 /nfs/dbraw/zinc/79/81/08/564798108.db2.gz LTXJYSNTSCLJBS-CQSZACIVSA-N 1 0 398.297 2.931 20 0 GFADRO COC[C@@H](CC(C)C)[NH2+]CCNS(=O)(=O)c1cccc(Cl)c1Cl ZINC000581326234 564798223 /nfs/dbraw/zinc/79/82/23/564798223.db2.gz IDCFMGGSMUPLSS-GFCCVEGCSA-N 1 0 383.341 2.922 20 0 GFADRO Cc1ccc(Cc2cnc(NC(=O)NC[C@H]3COCC[NH2+]3)s2)cc1Cl ZINC000528667332 564799937 /nfs/dbraw/zinc/79/99/37/564799937.db2.gz NDMGZUXOINEMHA-ZDUSSCGKSA-N 1 0 380.901 2.806 20 0 GFADRO COCC(=O)N1CCC([NH2+][C@H]2CCc3cc(Br)cc(C)c32)CC1 ZINC000492149418 564799988 /nfs/dbraw/zinc/79/99/88/564799988.db2.gz FDXWCPLCUNWVNB-INIZCTEOSA-N 1 0 381.314 2.972 20 0 GFADRO C[C@@H](NC(=O)C(=O)N1CC[N@H+](C)CC[C@@H]1C)c1cc(F)c(Cl)cc1Cl ZINC000555695578 564802502 /nfs/dbraw/zinc/80/25/02/564802502.db2.gz GQDPHAIZZKNYHY-WDEREUQCSA-N 1 0 390.286 2.862 20 0 GFADRO CC(C)[C@@]1(CO)CCC[N@H+](C[C@@H](O)COc2ccc(Br)cc2)C1 ZINC000555712724 564802606 /nfs/dbraw/zinc/80/26/06/564802606.db2.gz WILUDIVEVZHZHP-AEFFLSMTSA-N 1 0 386.330 2.919 20 0 GFADRO O=S(=O)(N[C@@H]1C[C@H]1C1CC[NH2+]CC1)c1ccc(Cl)cc1Br ZINC000461888358 564806751 /nfs/dbraw/zinc/80/67/51/564806751.db2.gz HEJLCXAQHSANHE-WCQYABFASA-N 1 0 393.734 2.769 20 0 GFADRO C[NH+](C)C1CN(C(=O)C2(Cc3ccc(F)cc3Br)CCOCC2)C1 ZINC000493463269 564807559 /nfs/dbraw/zinc/80/75/59/564807559.db2.gz SWYZITLCFYJBEL-UHFFFAOYSA-N 1 0 399.304 2.700 20 0 GFADRO COC(=O)C[C@H](C)CC(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000581570856 564808071 /nfs/dbraw/zinc/80/80/71/564808071.db2.gz NMILODNWMFFNRW-CQSZACIVSA-N 1 0 399.329 2.929 20 0 GFADRO COC(=O)c1cc(Br)cc(C(=O)NCC[N@@H+]2CCC[C@H](C)C2)c1 ZINC000461921401 564808308 /nfs/dbraw/zinc/80/83/08/564808308.db2.gz QXBJTMDDRYTHCP-LBPRGKRZSA-N 1 0 383.286 2.697 20 0 GFADRO COC(=O)c1cc(Br)cc(C(=O)NC[C@H](C)C[NH+]2CCCC2)c1 ZINC000461922587 564808464 /nfs/dbraw/zinc/80/84/64/564808464.db2.gz NJXXZAKIJSFVFW-LBPRGKRZSA-N 1 0 383.286 2.697 20 0 GFADRO O=S(=O)(N[C@@H]1C[C@H]1C1CC[NH2+]CC1)c1cc(Br)ccc1Cl ZINC000461902905 564808565 /nfs/dbraw/zinc/80/85/65/564808565.db2.gz ZXYGNHVXQMZHBA-WCQYABFASA-N 1 0 393.734 2.769 20 0 GFADRO CC[C@H]([NH3+])CNS(=O)(=O)c1cc(Br)c(Cl)cc1Cl ZINC000581607548 564810174 /nfs/dbraw/zinc/81/01/74/564810174.db2.gz IHZYHRZTERKICJ-LURJTMIESA-N 1 0 376.103 2.772 20 0 GFADRO CC[NH+](CC)[C@@H](CNC(=O)C(=O)N1C[C@@H](C)S[C@@H](C)C1)c1ccsc1 ZINC000556058353 564811460 /nfs/dbraw/zinc/81/14/60/564811460.db2.gz GBQZDSDFCDGDQS-LZWOXQAQSA-N 1 0 383.583 2.600 20 0 GFADRO NC(=O)[C@@H]1CCC[N@H+](CCCN[C@H]2CCc3sc(Br)cc32)C1 ZINC000556076281 564812140 /nfs/dbraw/zinc/81/21/40/564812140.db2.gz LWZQTFAFDWHKHQ-YPMHNXCESA-N 1 0 386.359 2.675 20 0 GFADRO C[C@@H](CNC(=O)C(=O)NCc1c(Cl)cccc1Cl)C[NH+]1CCCCC1 ZINC000556130531 564813305 /nfs/dbraw/zinc/81/33/05/564813305.db2.gz CQGVHZZJYZRFJN-ZDUSSCGKSA-N 1 0 386.323 2.848 20 0 GFADRO C[NH+](C)[C@H]1CCCN(S(=O)(=O)c2cccc(Cl)c2Br)C1 ZINC000493952043 564814257 /nfs/dbraw/zinc/81/42/57/564814257.db2.gz GZMXLDMKPJMIKM-JTQLQIEISA-N 1 0 381.723 2.817 20 0 GFADRO CCCOc1ncccc1C[NH2+][C@@H](C)Cn1cc(Br)ccc1=O ZINC000556233253 564815275 /nfs/dbraw/zinc/81/52/75/564815275.db2.gz HNSHEBOTAPLYHJ-ZDUSSCGKSA-N 1 0 380.286 2.973 20 0 GFADRO C[C@@H]1CN(C(=O)c2cccc(F)c2Br)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000494131438 564817651 /nfs/dbraw/zinc/81/76/51/564817651.db2.gz SKYCPOZCJMXBSS-CJNGLKHVSA-N 1 0 398.320 2.686 20 0 GFADRO CCC[C@@H]([NH2+]C(C)C)C(=O)NCCCNC(=O)c1ccc(Br)cc1 ZINC000494135531 564818321 /nfs/dbraw/zinc/81/83/21/564818321.db2.gz YMUZJMIDHMKQSZ-MRXNPFEDSA-N 1 0 398.345 2.852 20 0 GFADRO O=C(N[C@@H]1CCc2c1ccc(Cl)c2Cl)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000581820869 564818677 /nfs/dbraw/zinc/81/86/77/564818677.db2.gz ZOYVVTQBJDFSKO-IINYFYTJSA-N 1 0 380.279 2.754 20 0 GFADRO CCOC[C@H](C)[NH2+]Cc1cc(I)c(OC)c(OC)c1 ZINC000494222470 564820352 /nfs/dbraw/zinc/82/03/52/564820352.db2.gz GBGRCPKHUPINGZ-JTQLQIEISA-N 1 0 379.238 2.823 20 0 GFADRO Cc1nc(C(F)(F)F)sc1C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000462121794 564821357 /nfs/dbraw/zinc/82/13/57/564821357.db2.gz ZQNJYUPUNZYYHF-LLVKDONJSA-N 1 0 377.432 2.701 20 0 GFADRO O=C(N[C@H]1CCN(c2ccccc2Br)C1)[C@@H]1CCc2cncn2C1 ZINC000581946599 564823580 /nfs/dbraw/zinc/82/35/80/564823580.db2.gz VAVUXNQMDNWPOG-KGLIPLIRSA-N 1 0 389.297 2.603 20 0 GFADRO CC[C@H]([NH2+]Cc1ccc(C[NH3+])cc1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000581943989 564823646 /nfs/dbraw/zinc/82/36/46/564823646.db2.gz LLXLNKCSTVTVGD-KRWDZBQOSA-N 1 0 381.929 2.948 20 0 GFADRO C[NH+](C)C[C@H]1CCCN1S(=O)(=O)c1cccc(Br)c1Cl ZINC000556400913 564824678 /nfs/dbraw/zinc/82/46/78/564824678.db2.gz WQGVXPBEWMGGEM-SNVBAGLBSA-N 1 0 381.723 2.817 20 0 GFADRO CC[N@H+](CCNC(=O)NCc1cc(Br)cc2c1OCC2)C(C)C ZINC000462159581 564824840 /nfs/dbraw/zinc/82/48/40/564824840.db2.gz RITMKVJGZCDXAY-UHFFFAOYSA-N 1 0 384.318 2.914 20 0 GFADRO CC[C@H](C)[N@H+](C)CCNC(=O)NCc1cc(Br)cc2c1OCC2 ZINC000462194478 564826830 /nfs/dbraw/zinc/82/68/30/564826830.db2.gz HXRDVZJXBDRARO-LBPRGKRZSA-N 1 0 384.318 2.914 20 0 GFADRO Cn1nccc1[C@H]1CCC[C@@H]([NH2+]CCn2cc(Br)ccc2=O)C1 ZINC000556454298 564827325 /nfs/dbraw/zinc/82/73/25/564827325.db2.gz WAIVLBGNWDCGLA-DZGCQCFKSA-N 1 0 379.302 2.660 20 0 GFADRO COC(=O)c1cc(Br)cc(C(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c1 ZINC000462202757 564827551 /nfs/dbraw/zinc/82/75/51/564827551.db2.gz XGMZHYOOSTVKFA-QMTHXVAHSA-N 1 0 381.270 2.591 20 0 GFADRO CC[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2sc(C)cc2Br)C1 ZINC000462256375 564828972 /nfs/dbraw/zinc/82/89/72/564828972.db2.gz MQOOOMDDOAXCLE-NSHDSACASA-N 1 0 381.361 2.829 20 0 GFADRO C[C@]1(CCNC(=O)N2CCC(CO[C@H]3CC[NH2+]C3)CC2)CC1(Cl)Cl ZINC000529329889 564829148 /nfs/dbraw/zinc/82/91/48/564829148.db2.gz JEHHHKVZVMQNRK-HOCLYGCPSA-N 1 0 378.344 2.761 20 0 GFADRO CC(C)[C@H]1C[NH2+]CCN1C(=O)N[C@@H](c1cncc(Br)c1)C1CC1 ZINC000529329542 564829568 /nfs/dbraw/zinc/82/95/68/564829568.db2.gz JPBDKLVLDQUAPZ-HZPDHXFCSA-N 1 0 381.318 2.935 20 0 GFADRO Cc1cc(CNC(=O)N[C@@H]2CC[NH2+]C23CCC3)ccc1I ZINC000529332019 564830294 /nfs/dbraw/zinc/83/02/94/564830294.db2.gz UCBIAUMPDMRWIE-CQSZACIVSA-N 1 0 399.276 2.683 20 0 GFADRO Cc1cc(Br)c2c(c1)CN(C[C@@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)CC2 ZINC000494439865 564830750 /nfs/dbraw/zinc/83/07/50/564830750.db2.gz VYCWWBLMKVNHBG-HLLBOEOZSA-N 1 0 397.357 2.586 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)CC[C@@H]1CCC[NH2+]1 ZINC000494462060 564831354 /nfs/dbraw/zinc/83/13/54/564831354.db2.gz CUFLNEXNOIVVNT-AWEZNQCLSA-N 1 0 382.302 2.735 20 0 GFADRO C[C@@]1(F)C[NH2+]CCN(Cc2nc(Cc3cccc(Br)c3)no2)C1 ZINC000582122851 564831460 /nfs/dbraw/zinc/83/14/60/564831460.db2.gz HFJXOYDTMJBNCP-MRXNPFEDSA-N 1 0 383.265 2.556 20 0 GFADRO COC[C@@H](CC(C)C)[NH2+]CC(=O)Nc1ccc(I)cc1 ZINC000556608591 564832113 /nfs/dbraw/zinc/83/21/13/564832113.db2.gz JCMJIRSGFJEQRJ-CQSZACIVSA-N 1 0 390.265 2.880 20 0 GFADRO O=C(NC[C@@H]1COCC[NH2+]1)NC1(c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000529375448 564832291 /nfs/dbraw/zinc/83/22/91/564832291.db2.gz HJVRQLINGMIIFF-LLVKDONJSA-N 1 0 377.794 2.636 20 0 GFADRO O=C(NC[C@@H]1COCC[NH2+]1)N1c2ccc(Br)cc2[C@@H]2CCCC[C@@H]21 ZINC000529387327 564833272 /nfs/dbraw/zinc/83/32/72/564833272.db2.gz NQJZXNUJNXTTTE-YCPHGPKFSA-N 1 0 394.313 2.993 20 0 GFADRO Cc1ccc(S(=O)(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1Br ZINC000462323027 564833748 /nfs/dbraw/zinc/83/37/48/564833748.db2.gz BNSCXEMYCXFSBT-CHWSQXEVSA-N 1 0 375.332 2.861 20 0 GFADRO C[C@@H]1CN(C2CC2)C[C@H]1[NH2+]CCCNC(=O)c1cccc(Br)c1 ZINC000494631964 564836500 /nfs/dbraw/zinc/83/65/00/564836500.db2.gz KLDFUNOTZHKZNR-CXAGYDPISA-N 1 0 380.330 2.641 20 0 GFADRO CN(C(=O)CCc1ncc(-c2ccccc2Br)o1)C1CC([NH3+])C1 ZINC000582241060 564837203 /nfs/dbraw/zinc/83/72/03/564837203.db2.gz ZTCCWDIMSUXLGM-UHFFFAOYSA-N 1 0 378.270 2.985 20 0 GFADRO COCCN(Cc1scnc1C)C(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000494705035 564837513 /nfs/dbraw/zinc/83/75/13/564837513.db2.gz VKCULPNAWQYSQP-OAHLLOKOSA-N 1 0 382.555 2.974 20 0 GFADRO C[C@@H](NC1CC[NH+](Cc2ccccn2)CC1)c1ncc(Br)cn1 ZINC000582255525 564837821 /nfs/dbraw/zinc/83/78/21/564837821.db2.gz ADLRSGUICUIXCH-CYBMUJFWSA-N 1 0 376.302 2.949 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CCCN(c2ncnc3cccc(I)c32)C1 ZINC000582291334 564838765 /nfs/dbraw/zinc/83/87/65/564838765.db2.gz GOYIOQQFRHULJY-MNOVXSKESA-N 1 0 382.249 2.798 20 0 GFADRO Cc1cc(Br)cc(C)c1S(=O)(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000462422306 564838925 /nfs/dbraw/zinc/83/89/25/564838925.db2.gz NEXYTXBZMDZLMY-ZDUSSCGKSA-N 1 0 387.343 2.829 20 0 GFADRO C[N@H+](Cc1ncc(Br)cc1F)C1CCN(c2cnccn2)CC1 ZINC000529554387 564841527 /nfs/dbraw/zinc/84/15/27/564841527.db2.gz AEVVHPUTFLGFJM-UHFFFAOYSA-N 1 0 380.265 2.874 20 0 GFADRO C[C@H](CNC(=O)N[C@H]1CCN(c2cccc(Br)c2)C1)[N@H+](C)C1CC1 ZINC000494878730 564842481 /nfs/dbraw/zinc/84/24/81/564842481.db2.gz MUSYUNYWRPKIHZ-HIFRSBDPSA-N 1 0 395.345 2.810 20 0 GFADRO CC(=O)c1cc(Br)ccc1OCC(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000556830013 564842878 /nfs/dbraw/zinc/84/28/78/564842878.db2.gz PHCAGEHWDQIFDU-HNNXBMFYSA-N 1 0 395.297 2.727 20 0 GFADRO COc1ccc(C[C@H](CO)C[NH2+]Cc2ncc(Br)cc2F)cc1O ZINC000529568657 564843270 /nfs/dbraw/zinc/84/32/70/564843270.db2.gz VIRZPAZPDLCMSL-LBPRGKRZSA-N 1 0 399.260 2.638 20 0 GFADRO CC(C)[C@@H](C(=O)NCc1nnc2c(Cl)cc(C(F)(F)F)cn12)[NH+](C)C ZINC000494937039 564844750 /nfs/dbraw/zinc/84/47/50/564844750.db2.gz KQNALHJXRGKAMX-LBPRGKRZSA-N 1 0 377.798 2.604 20 0 GFADRO CC[C@@H](C)[N@H+](C)CCNC(=O)N(CCO)Cc1cc(Br)cs1 ZINC000494959746 564845122 /nfs/dbraw/zinc/84/51/22/564845122.db2.gz NBXBFXLBUWYKGU-GFCCVEGCSA-N 1 0 392.363 2.745 20 0 GFADRO O[C@@H](C[NH2+]C[C@H]1CCN(CC(F)(F)F)C1)COCc1ccc(Cl)cc1 ZINC000582415261 564845378 /nfs/dbraw/zinc/84/53/78/564845378.db2.gz JNDJCHHFFWMHOM-ZBFHGGJFSA-N 1 0 380.838 2.691 20 0 GFADRO CN(C)CC[N@H+](C)CCCN(C)C(=O)CCc1cccc(Br)c1 ZINC000582412869 564845470 /nfs/dbraw/zinc/84/54/70/564845470.db2.gz NOBVQNLHUBBTEB-UHFFFAOYSA-N 1 0 384.362 2.724 20 0 GFADRO Cc1ccc(Br)c(S(=O)(=O)NCC[NH2+][C@@H]2C[C@@H](C)[C@@H]2C)c1 ZINC000494998866 564845769 /nfs/dbraw/zinc/84/57/69/564845769.db2.gz MUDDWNWWMTYMLS-MBNYWOFBSA-N 1 0 375.332 2.670 20 0 GFADRO Cc1cc(Br)c(S(=O)(=O)NC[C@H](C)C[NH+]2CCCC2)s1 ZINC000462539598 564846294 /nfs/dbraw/zinc/84/62/94/564846294.db2.gz XBKQKPNZCOIJKN-JTQLQIEISA-N 1 0 381.361 2.829 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)[C@@H]1CCCCC[NH2+]1 ZINC000582421308 564846806 /nfs/dbraw/zinc/84/68/06/564846806.db2.gz SEZSFJGCSOGHAG-AWEZNQCLSA-N 1 0 382.302 2.735 20 0 GFADRO Cc1onc(-c2ccc(Cl)c(Cl)c2)c1C(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000582464611 564847149 /nfs/dbraw/zinc/84/71/49/564847149.db2.gz GUTQYADYRYCTJL-QGZVFWFLSA-N 1 0 384.263 2.753 20 0 GFADRO C[C@@H](C(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1)c1cccc(Br)c1 ZINC000462550327 564847464 /nfs/dbraw/zinc/84/74/64/564847464.db2.gz KHZWRFRYZODMAO-UONOGXRCSA-N 1 0 383.330 2.856 20 0 GFADRO Cc1c(Br)ccnc1NC(=O)NC[C@@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000582535613 564851066 /nfs/dbraw/zinc/85/10/66/564851066.db2.gz VIDOIXSWAUSWCE-HNNXBMFYSA-N 1 0 398.349 2.546 20 0 GFADRO CN1CCN(C(=O)C[NH2+][C@H](CC2CC2)c2cc(F)cc(Br)c2)CC1 ZINC000495254891 564852475 /nfs/dbraw/zinc/85/24/75/564852475.db2.gz PTKHWRFCYBGSIK-QGZVFWFLSA-N 1 0 398.320 2.793 20 0 GFADRO O=C(c1cc(I)ccc1Cl)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000462646323 564852691 /nfs/dbraw/zinc/85/26/91/564852691.db2.gz VGZLPWXFVLTPLQ-CQSZACIVSA-N 1 0 390.652 2.770 20 0 GFADRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1cc2c(c(Br)c1)OCO2 ZINC000557115819 564854276 /nfs/dbraw/zinc/85/42/76/564854276.db2.gz CVARWWJFQGXLKS-WCQYABFASA-N 1 0 381.270 2.877 20 0 GFADRO CNC(=O)CCC[N@@H+]1CC[C@@H](Cc2cccc(I)c2)C1 ZINC000582614874 564854340 /nfs/dbraw/zinc/85/43/40/564854340.db2.gz LBXURQSFPGJGPK-AWEZNQCLSA-N 1 0 386.277 2.682 20 0 GFADRO C[NH+](C)CCN(Cc1cc(Br)c2c(c1)OCCO2)C[C@@H]1CCCO1 ZINC000582633324 564855561 /nfs/dbraw/zinc/85/55/61/564855561.db2.gz ONIPTHJCNURMLC-HNNXBMFYSA-N 1 0 399.329 2.763 20 0 GFADRO CS[C@@H]1CN(C(=O)Cc2csc(-n3c(C)ccc3C)n2)C[C@@H]1[NH+](C)C ZINC000495566851 564855914 /nfs/dbraw/zinc/85/59/14/564855914.db2.gz ZTDXVOPQDKPPRM-JKSUJKDBSA-N 1 0 378.567 2.597 20 0 GFADRO CS[C@H]1CN(C(=O)c2cc(N3CCCC3=O)ccc2Cl)C[C@@H]1[NH+](C)C ZINC000495696626 564855948 /nfs/dbraw/zinc/85/59/48/564855948.db2.gz MBFVSTQFDBZHLI-HOTGVXAUSA-N 1 0 381.929 2.584 20 0 GFADRO CC1([NH+]2CCOCC2)CCN(C(=O)Cc2ccccc2Br)CC1 ZINC000529912675 564855961 /nfs/dbraw/zinc/85/59/61/564855961.db2.gz BNQPBCHCLLRSSU-UHFFFAOYSA-N 1 0 381.314 2.705 20 0 GFADRO O=C(COc1ccc(F)cc1Br)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000495595737 564856061 /nfs/dbraw/zinc/85/60/61/564856061.db2.gz XVEJZBOVWQCPTI-OAHLLOKOSA-N 1 0 385.277 2.958 20 0 GFADRO CS[C@@H]1CN(C(=O)c2cc(NC(=O)N(C)C)ccc2Cl)C[C@H]1[NH+](C)C ZINC000495712591 564856643 /nfs/dbraw/zinc/85/66/43/564856643.db2.gz MEGMLXLSAYBSRK-HUUCEWRRSA-N 1 0 384.933 2.551 20 0 GFADRO COCCNS(=O)(=O)c1cccc(C[NH2+][C@H](C)CCc2ccsc2)c1 ZINC000462785151 564857848 /nfs/dbraw/zinc/85/78/48/564857848.db2.gz NCMFZQPDIRAXQX-OAHLLOKOSA-N 1 0 382.551 2.784 20 0 GFADRO C[C@H](CNc1ncnc2ccc(I)cc21)[N@H+](C)C1CC1 ZINC000462813161 564858550 /nfs/dbraw/zinc/85/85/50/564858550.db2.gz QHSVCOJWBWMJPP-SNVBAGLBSA-N 1 0 382.249 3.129 20 0 GFADRO CO[C@@H]1CCC[C@@H]1C[NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000582720848 564858723 /nfs/dbraw/zinc/85/87/23/564858723.db2.gz JXTKRPFZUHDONS-DJSGYFEHSA-N 1 0 376.266 2.733 20 0 GFADRO O=C(NC[C@H]1CC[N@@H+]1C1CCCC1)c1cc(Br)c2c(c1)OCCO2 ZINC000530023814 564860444 /nfs/dbraw/zinc/86/04/44/564860444.db2.gz HTAHDJQGYLTZLZ-CQSZACIVSA-N 1 0 395.297 2.967 20 0 GFADRO CN(C)S(=O)(=O)[C@H]1CCCN(c2nccc3cc(Br)ccc32)C1 ZINC000582772285 564861038 /nfs/dbraw/zinc/86/10/38/564861038.db2.gz DATTUOOPDYTQEW-AWEZNQCLSA-N 1 0 398.326 2.858 20 0 GFADRO CN1CC[C@@H](NC(=O)C[N@H+](C)[C@H]2CCSC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000497264515 564863371 /nfs/dbraw/zinc/86/33/71/564863371.db2.gz GYYVYLSMMIMPTO-FDQGKXFDSA-N 1 0 385.936 2.778 20 0 GFADRO C[C@H](CNC(=O)[C@@H](c1cc(Cl)cc(Cl)c1)N1CCOCC1)C[NH+](C)C ZINC000557467088 564864213 /nfs/dbraw/zinc/86/42/13/564864213.db2.gz QNNMACWYPQGDOJ-CXAGYDPISA-N 1 0 388.339 2.681 20 0 GFADRO CC1([NH+]2CCOCC2)CCN(Cn2ncc(Br)c2C2CC2)CC1 ZINC000530102812 564864679 /nfs/dbraw/zinc/86/46/79/564864679.db2.gz AGVLYXGYUSBKSJ-UHFFFAOYSA-N 1 0 383.334 2.667 20 0 GFADRO CSCC[C@@H]([NH3+])C(=O)N[C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000497329975 564864688 /nfs/dbraw/zinc/86/46/88/564864688.db2.gz VBMJAAGYTCUFHY-CMPLNLGQSA-N 1 0 396.866 2.529 20 0 GFADRO Cc1nc(C(=O)Nc2cc(Br)ccc2N2CC[N@@H+](C)C[C@H]2C)c[nH]1 ZINC000582889149 564866515 /nfs/dbraw/zinc/86/65/15/564866515.db2.gz WSTSIQCRKALBLB-LLVKDONJSA-N 1 0 392.301 2.873 20 0 GFADRO C[C@@H](CNC(=O)NCCNc1cccc(Br)c1)C[NH+]1CCCC1 ZINC000497398229 564866729 /nfs/dbraw/zinc/86/67/29/564866729.db2.gz ZUUROFDAUCVDHN-AWEZNQCLSA-N 1 0 383.334 2.892 20 0 GFADRO COCC1(C[N@@H+]2CCCN(S(=O)(=O)c3ccc(Cl)s3)CC2)CCC1 ZINC000463074174 564868750 /nfs/dbraw/zinc/86/87/50/564868750.db2.gz AMNLAHJLAZDLNX-UHFFFAOYSA-N 1 0 392.974 2.915 20 0 GFADRO C[C@H](Cn1ccnc1)NS(=O)(=O)Cc1cc(Cl)ccc1Br ZINC000582961671 564870019 /nfs/dbraw/zinc/87/00/19/564870019.db2.gz JJWSRBNKWFYAJC-SNVBAGLBSA-N 1 0 392.706 2.807 20 0 GFADRO COCCN(CC[N@@H+]1CCCOCC1)Cc1ccc(Br)s1 ZINC000463210221 564872684 /nfs/dbraw/zinc/87/26/84/564872684.db2.gz FSLAPIXIUPHFNG-UHFFFAOYSA-N 1 0 377.348 2.681 20 0 GFADRO C[NH+](C)C1CN(C(=O)CCCCc2ccc(I)cc2)C1 ZINC000497686696 564873619 /nfs/dbraw/zinc/87/36/19/564873619.db2.gz NOONUKQPRPVYLK-UHFFFAOYSA-N 1 0 386.277 2.776 20 0 GFADRO CCN1CC[NH+](CCCCNC(=O)c2c(C)cccc2Br)CC1 ZINC000583057275 564873957 /nfs/dbraw/zinc/87/39/57/564873957.db2.gz NDOYWSFPKIUIEF-UHFFFAOYSA-N 1 0 382.346 2.905 20 0 GFADRO CC(C)[N@H+](CC(=O)N(C)CCOc1ccc(Br)cc1)[C@@H]1CCOC1 ZINC000463233831 564874094 /nfs/dbraw/zinc/87/40/94/564874094.db2.gz PJAKREODCCDYAP-MRXNPFEDSA-N 1 0 399.329 2.786 20 0 GFADRO O=C(NCc1cc(Br)cc2c1OCC2)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000463260444 564874482 /nfs/dbraw/zinc/87/44/82/564874482.db2.gz QHWYOKSTTPKWHW-INIZCTEOSA-N 1 0 394.313 2.764 20 0 GFADRO C[NH+](C)CCOc1cc(NC(=O)Cc2cccc(Br)c2)ccn1 ZINC000497710957 564874443 /nfs/dbraw/zinc/87/44/43/564874443.db2.gz PQOIORVUSHDBLX-UHFFFAOYSA-N 1 0 378.270 2.966 20 0 GFADRO CO[C@H]1CCN(C(=O)c2ccc(Br)cc2OC(C)C)[C@@H](C[NH3+])C1 ZINC000583079389 564874693 /nfs/dbraw/zinc/87/46/93/564874693.db2.gz YVMOJLQYDXVUJX-KGLIPLIRSA-N 1 0 385.302 2.815 20 0 GFADRO Cc1cc(NC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c(F)cc1Br ZINC000497750524 564875044 /nfs/dbraw/zinc/87/50/44/564875044.db2.gz OHJCFGPYWIAJFB-NEPJUHHUSA-N 1 0 398.276 2.578 20 0 GFADRO O=S(=O)(Cc1ccccc1Br)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000557798370 564876898 /nfs/dbraw/zinc/87/68/98/564876898.db2.gz LWUUMUCCCKDWBM-HNNXBMFYSA-N 1 0 387.343 2.839 20 0 GFADRO O=S(=O)(Cc1ccccc1Br)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000557798371 564877000 /nfs/dbraw/zinc/87/70/00/564877000.db2.gz LWUUMUCCCKDWBM-OAHLLOKOSA-N 1 0 387.343 2.839 20 0 GFADRO CC(C)N1CC[C@H]([NH2+][C@@H](C)c2ccc(Br)cc2OCCCO)C1=O ZINC000463361392 564877181 /nfs/dbraw/zinc/87/71/81/564877181.db2.gz NOWFZCXVQQYZAW-BBRMVZONSA-N 1 0 399.329 2.870 20 0 GFADRO CC(C)NC(=O)CC[NH2+][C@@H](C)c1ccc(Br)cc1OCCCO ZINC000463371125 564877513 /nfs/dbraw/zinc/87/75/13/564877513.db2.gz YJVXQDYAYIWCAG-ZDUSSCGKSA-N 1 0 387.318 2.776 20 0 GFADRO O=S(=O)(c1c(F)cccc1OC(F)(F)F)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000557812382 564877811 /nfs/dbraw/zinc/87/78/11/564877811.db2.gz SYUWSNNIZGMQBX-NSHDSACASA-N 1 0 382.379 2.583 20 0 GFADRO C[C@H]1CC[N@H+](CCNS(=O)(=O)c2cc(Cl)c(Br)cc2F)C1 ZINC000530351799 564877915 /nfs/dbraw/zinc/87/79/15/564877915.db2.gz GPUSGGREQFCCKW-VIFPVBQESA-N 1 0 399.713 2.862 20 0 GFADRO C[C@@H](C(=O)NC(=O)NC(C)(C)C)[N@H+](C)CCc1cccc(Br)c1 ZINC000463426930 564880100 /nfs/dbraw/zinc/88/01/00/564880100.db2.gz DDVUGXHQFZMDHT-LBPRGKRZSA-N 1 0 384.318 2.936 20 0 GFADRO [NH3+]Cc1cc(C(=O)N2CCO[C@@H](c3ccc(Br)cc3)C2)ccn1 ZINC000463475435 564882370 /nfs/dbraw/zinc/88/23/70/564882370.db2.gz IRTDCRRKLWLHCU-MRXNPFEDSA-N 1 0 376.254 2.517 20 0 GFADRO COC(=O)[C@H]1CC[N@@H+]([C@@H]2CCCN(c3ccc(Br)c(C)c3)C2=O)C1 ZINC000463504949 564883369 /nfs/dbraw/zinc/88/33/69/564883369.db2.gz YTNULADFSWSNNQ-XJKSGUPXSA-N 1 0 395.297 2.748 20 0 GFADRO COCc1cc(N(CC[NH+](C)C)Cc2ccc(Br)cc2)ncn1 ZINC000557923942 564885339 /nfs/dbraw/zinc/88/53/39/564885339.db2.gz BPYNEERDCWRAKQ-UHFFFAOYSA-N 1 0 379.302 2.954 20 0 GFADRO C[NH+](C)[C@]1(CNC(=O)C2=Cc3cc(Br)ccc3OC2)CCSC1 ZINC000530651356 564890440 /nfs/dbraw/zinc/89/04/40/564890440.db2.gz RUCJKKBSOPFDOY-KRWDZBQOSA-N 1 0 397.338 2.778 20 0 GFADRO COc1sc(C[NH2+][C@H](C2CC2)[C@@]2(CO)CCCO2)cc1Br ZINC000583456785 564892150 /nfs/dbraw/zinc/89/21/50/564892150.db2.gz YCGHKMQJYNLNSR-HIFRSBDPSA-N 1 0 376.316 2.929 20 0 GFADRO Cn1cc(Br)cc(NC(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)c1=O ZINC000530722330 564893078 /nfs/dbraw/zinc/89/30/78/564893078.db2.gz ZXXYPQRLIIYERE-CQSZACIVSA-N 1 0 397.317 2.630 20 0 GFADRO CC(C)[N@H+](C)CC1CCN(C(=O)Nc2cc(Br)cn(C)c2=O)CC1 ZINC000530722221 564893336 /nfs/dbraw/zinc/89/33/36/564893336.db2.gz RHFPZTGRQDHBLG-UHFFFAOYSA-N 1 0 399.333 2.732 20 0 GFADRO O=C(NCCC[C@@H]1CCC[NH2+]1)[C@@H]1CCN(c2cc(Cl)ccc2Cl)C1=O ZINC000583499113 564895127 /nfs/dbraw/zinc/89/51/27/564895127.db2.gz POUZIUPRWJUWPP-KBPBESRZSA-N 1 0 384.307 2.995 20 0 GFADRO CC[C@H](C(=O)NCc1ccc(S(=O)(=O)N(CC)CC)s1)[NH+](CC)CC ZINC000530804257 564895164 /nfs/dbraw/zinc/89/51/64/564895164.db2.gz DLDQJNRRRQXWKX-OAHLLOKOSA-N 1 0 389.587 2.515 20 0 GFADRO C[C@H](CCNC(=O)NCc1n[nH]cc1Br)[N@H+](C)Cc1ccccc1 ZINC000530840849 564896284 /nfs/dbraw/zinc/89/62/84/564896284.db2.gz MLCQLRXJSGGXPY-CYBMUJFWSA-N 1 0 394.317 2.882 20 0 GFADRO CCOc1cc(C[NH2+][C@@H]2CCC[C@H]2C(=O)NC)cc(Br)c1OC ZINC000498364763 564896749 /nfs/dbraw/zinc/89/67/49/564896749.db2.gz QTNQSBPAORUWRE-TZMCWYRMSA-N 1 0 385.302 2.861 20 0 GFADRO O=S(=O)(N[C@@H]1C[NH2+]C[C@H]1c1ccccc1)C1CCC(C(F)(F)F)CC1 ZINC000583555470 564896712 /nfs/dbraw/zinc/89/67/12/564896712.db2.gz HBNWZOKXXSTOPN-SSHXOBKSSA-N 1 0 376.444 2.783 20 0 GFADRO C[NH+](C)CCN(C(=O)CCn1cc(Br)ccc1=O)C1CCCCC1 ZINC000498489961 564899995 /nfs/dbraw/zinc/89/99/95/564899995.db2.gz OBSFVGILHYOCJH-UHFFFAOYSA-N 1 0 398.345 2.724 20 0 GFADRO O=C(NC[C@]1(O)C[NH+]2CCC1CC2)c1cc(Br)cc2ccccc21 ZINC000583640916 564900371 /nfs/dbraw/zinc/90/03/71/564900371.db2.gz YNKJSKQFVLAQTC-IBGZPJMESA-N 1 0 389.293 2.789 20 0 GFADRO CC[NH+](CC)CCS(=O)(=O)N(C)Cc1cc(OC)ccc1Br ZINC000558487809 564903293 /nfs/dbraw/zinc/90/32/93/564903293.db2.gz JHZXXASPSPORNU-UHFFFAOYSA-N 1 0 393.347 2.561 20 0 GFADRO CC(C)(CNC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1)c1c(Cl)cccc1Cl ZINC000583692399 564903588 /nfs/dbraw/zinc/90/35/88/564903588.db2.gz ZTCPTKQQQXICNN-AWEZNQCLSA-N 1 0 386.323 2.646 20 0 GFADRO Cc1sc(NC(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)nc1C(C)C ZINC000583704834 564904212 /nfs/dbraw/zinc/90/42/12/564904212.db2.gz STDLXGFLFJQPOP-LLVKDONJSA-N 1 0 379.452 2.533 20 0 GFADRO COc1ccc([C@H](C)[NH2+]CCNS(=O)(=O)c2cc(C)sc2C)cc1O ZINC000558493921 564904735 /nfs/dbraw/zinc/90/47/35/564904735.db2.gz ZORULUFBONMQPO-LBPRGKRZSA-N 1 0 384.523 2.708 20 0 GFADRO CCC[N@H+](C)C[C@H]1CCN(c2ccc(S(N)(=O)=O)cc2C(F)(F)F)C1 ZINC000498663056 564904995 /nfs/dbraw/zinc/90/49/95/564904995.db2.gz ZMCKOCBJUQWUEN-GFCCVEGCSA-N 1 0 379.448 2.521 20 0 GFADRO CCOC(=O)[C@@H]1CC[C@H]([NH2+]Cc2cn(-c3ccccc3Br)nn2)C1 ZINC000558571802 564907267 /nfs/dbraw/zinc/90/72/67/564907267.db2.gz QGKAYAHFDZWAAC-OLZOCXBDSA-N 1 0 393.285 2.851 20 0 GFADRO C[C@H]1CC[N@H+](C)CCN1C(=O)c1ccc(F)cc1I ZINC000498733505 564907359 /nfs/dbraw/zinc/90/73/59/564907359.db2.gz DBWRVCOTSINJAF-JTQLQIEISA-N 1 0 376.213 2.597 20 0 GFADRO CC1(C)[C@H]([NH2+]Cc2nnnn2-c2ccccc2Br)[C@H]2CCCO[C@H]21 ZINC000583793816 564907815 /nfs/dbraw/zinc/90/78/15/564907815.db2.gz VZLWOTGVNNLJNV-HFBAOOFYSA-N 1 0 392.301 2.718 20 0 GFADRO C[C@H](C(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1)c1cnn(C)c1 ZINC000531413870 564909347 /nfs/dbraw/zinc/90/93/47/564909347.db2.gz IZHUKIHJOBLOHZ-AWEZNQCLSA-N 1 0 393.329 2.877 20 0 GFADRO COC(=O)C[C@]1([NH2+]CCCc2ccc(Br)cc2OC)CCOC1 ZINC000464628802 564913613 /nfs/dbraw/zinc/91/36/13/564913613.db2.gz ZKEPJKOPQFBQEQ-QGZVFWFLSA-N 1 0 386.286 2.702 20 0 GFADRO CCNS(=O)(=O)[C@@H]1CCN(Cc2c(Cl)cc(Cl)cc2N(C)C)C1 ZINC000583987385 564915109 /nfs/dbraw/zinc/91/51/09/564915109.db2.gz SUOWWIVPRRTVNS-GFCCVEGCSA-N 1 0 380.341 2.573 20 0 GFADRO CCOCCOc1ccc(Br)cc1C[NH2+]CCN1CCCC1=O ZINC000584058497 564918979 /nfs/dbraw/zinc/91/89/79/564918979.db2.gz ZDNMZXUCNKXIEJ-UHFFFAOYSA-N 1 0 385.302 2.576 20 0 GFADRO CC1CC[NH+]([C@@H](CNS(=O)(=O)CC[C@@H]2CCOC2)c2cccs2)CC1 ZINC000559024591 564920222 /nfs/dbraw/zinc/92/02/22/564920222.db2.gz NQELHUDOQHOEKL-IRXDYDNUSA-N 1 0 386.583 2.867 20 0 GFADRO COc1cc(C[NH2+]CCc2ncn(C)n2)cc(Br)c1OC(F)F ZINC000531777897 564920208 /nfs/dbraw/zinc/92/02/08/564920208.db2.gz JXNUOTNVNZBCPT-UHFFFAOYSA-N 1 0 391.216 2.520 20 0 GFADRO O=C(Cc1ccc(Br)s1)N[C@@H]1CCCC[C@@H]1N1CCOCC1 ZINC000531920378 564923584 /nfs/dbraw/zinc/92/35/84/564923584.db2.gz SVLREQRAFHWIKM-KGLIPLIRSA-N 1 0 387.343 2.813 20 0 GFADRO CS(=O)(=O)Cc1ccc(S(=O)(=O)Nc2cccc3ccncc32)cc1 ZINC000532037960 564927094 /nfs/dbraw/zinc/92/70/94/564927094.db2.gz PHTFBHYZYKXJQL-UHFFFAOYSA-N 1 0 376.459 2.580 20 0 GFADRO CCC[C@H]1CN(C(=O)Cc2ccc(Br)cc2)CC[N@@H+]1CCOC ZINC000499444551 564928257 /nfs/dbraw/zinc/92/82/57/564928257.db2.gz FXQFEEXPRRYMTK-KRWDZBQOSA-N 1 0 383.330 2.951 20 0 GFADRO CCOCCCNC(=O)[C@@H](C)[NH2+][C@H](c1cncc(Br)c1)C1CC1 ZINC000584306652 564929453 /nfs/dbraw/zinc/92/94/53/564929453.db2.gz RIKKHNMVTZZFOG-WBMJQRKESA-N 1 0 384.318 2.816 20 0 GFADRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)C(=O)NCc1ccc(Cl)cc1Cl ZINC000559342759 564930519 /nfs/dbraw/zinc/93/05/19/564930519.db2.gz IOIVUTDYPHHJCU-CHWSQXEVSA-N 1 0 386.323 2.989 20 0 GFADRO Cc1ccccc1[C@@H](C)[NH2+]Cc1ccc(S(=O)(=O)N2CCOCC2)s1 ZINC000532197987 564932433 /nfs/dbraw/zinc/93/24/33/564932433.db2.gz KCHXVSQKGQKUOV-OAHLLOKOSA-N 1 0 380.535 2.928 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CNC(=O)N[C@H]1CCN(c2ccccc2Br)C1 ZINC000465906516 564933446 /nfs/dbraw/zinc/93/34/46/564933446.db2.gz XTYXEEKHRICKMA-GJZGRUSLSA-N 1 0 395.345 2.811 20 0 GFADRO C[C@H](CNC(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1)Oc1ccc(Br)cc1 ZINC000466032196 564935372 /nfs/dbraw/zinc/93/53/72/564935372.db2.gz HWYQYSWPKZHGBX-NFAWXSAZSA-N 1 0 384.318 2.998 20 0 GFADRO CN(C)C(=O)CC[NH+]1CCN(Cc2ccc(Cl)cc2Br)CC1 ZINC000532381578 564936311 /nfs/dbraw/zinc/93/63/11/564936311.db2.gz PFMIUZQLQOSATO-UHFFFAOYSA-N 1 0 388.737 2.698 20 0 GFADRO CC(C)(C)NS(=O)(=O)CC[NH2+][C@@H]1CCc2sc(Br)cc21 ZINC000559744939 564940070 /nfs/dbraw/zinc/94/00/70/564940070.db2.gz NONSMWIFJYSKRT-SNVBAGLBSA-N 1 0 381.361 2.805 20 0 GFADRO COc1ccc(Br)cc1CNC(=O)N1CCC(C[NH+](C)C)CC1 ZINC000532656782 564942496 /nfs/dbraw/zinc/94/24/96/564942496.db2.gz WBPZKQLSSRKPCY-UHFFFAOYSA-N 1 0 384.318 2.941 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)NC[C@H](C)[NH+]2CCCC2)c(Br)c1 ZINC000532713752 564943309 /nfs/dbraw/zinc/94/33/09/564943309.db2.gz AVJNALKCULVDPO-ZDUSSCGKSA-N 1 0 382.302 2.605 20 0 GFADRO CS(=O)(=O)N[C@@H]1CCC[C@H]1C[NH2+]Cc1c(F)ccc(Br)c1F ZINC000500401477 564951762 /nfs/dbraw/zinc/95/17/62/564951762.db2.gz XOUSRIOVOYBZPY-TVQRCGJNSA-N 1 0 397.285 2.535 20 0 GFADRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1cccc(F)c1I ZINC000533077194 564953897 /nfs/dbraw/zinc/95/38/97/564953897.db2.gz BMTNSVCVUKLZCH-GXFFZTMASA-N 1 0 390.240 2.843 20 0 GFADRO CCOc1cc(C[NH2+][C@H]2CCC[C@H]2CNS(C)(=O)=O)cc(Cl)c1OC ZINC000500487592 564955183 /nfs/dbraw/zinc/95/51/83/564955183.db2.gz MUVLNLJJOAJNJY-ZFWWWQNUSA-N 1 0 390.933 2.555 20 0 GFADRO COc1cc(Cl)c(C[NH2+][C@H]2CCC[C@H]2CNS(C)(=O)=O)cc1Cl ZINC000500543542 564957216 /nfs/dbraw/zinc/95/72/16/564957216.db2.gz CXHLEJSKCPDXAF-HZMBPMFUSA-N 1 0 381.325 2.810 20 0 GFADRO CCC[NH+]1CCC(NS(=O)(=O)c2cc(Br)ccc2F)CC1 ZINC000500621768 564958409 /nfs/dbraw/zinc/95/84/09/564958409.db2.gz ABRAFBWIHIHOGR-UHFFFAOYSA-N 1 0 379.295 2.741 20 0 GFADRO CC[C@@H](C)[N@H+](C)CC(=O)N(C)CC(=O)Nc1ccc(Br)cc1C ZINC000533368496 564961265 /nfs/dbraw/zinc/96/12/65/564961265.db2.gz DUTYEVUQMCHSKJ-CYBMUJFWSA-N 1 0 384.318 2.885 20 0 GFADRO CC(=O)c1cc(Br)ccc1OCC(=O)NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000560455179 564962122 /nfs/dbraw/zinc/96/21/22/564962122.db2.gz MAUVCXBLYYIZPK-AWEZNQCLSA-N 1 0 397.313 2.877 20 0 GFADRO CC[NH+](CC)C[C@@H](C)NC(=O)c1cccc(F)c1I ZINC000533543764 564965236 /nfs/dbraw/zinc/96/52/36/564965236.db2.gz GXIXCZNHXGWWJB-SNVBAGLBSA-N 1 0 378.229 2.890 20 0 GFADRO CCCOc1c(Br)cc(C[NH2+]C[C@H](C)S(C)(=O)=O)cc1OC ZINC000533588247 564967885 /nfs/dbraw/zinc/96/78/85/564967885.db2.gz QJDOCRLTDWQJKC-NSHDSACASA-N 1 0 394.331 2.769 20 0 GFADRO CC[N@@H+]1CC[C@H]2OCCN(Cc3cc(Br)cc4c3OCC4)[C@H]2C1 ZINC000560587293 564969176 /nfs/dbraw/zinc/96/91/76/564969176.db2.gz NGPOWZNHWYRRAC-DLBZAZTESA-N 1 0 381.314 2.679 20 0 GFADRO CCCNC(=O)CN1CCC([NH2+][C@@H](C)c2nc(C(F)(F)F)cs2)CC1 ZINC000467748930 564970919 /nfs/dbraw/zinc/97/09/19/564970919.db2.gz XWQMXBOBIGWKSN-NSHDSACASA-N 1 0 378.464 2.803 20 0 GFADRO COCC[N@@H+]1CC[C@@H](NC(=O)c2cc(Br)cc(C(F)(F)F)c2)C1 ZINC000533707956 564971195 /nfs/dbraw/zinc/97/11/95/564971195.db2.gz YDIODWVMFOIPJG-CYBMUJFWSA-N 1 0 395.219 2.918 20 0 GFADRO CC[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)N[C@@H](C)CC[NH+](C)C ZINC000560670397 564971789 /nfs/dbraw/zinc/97/17/89/564971789.db2.gz PCTPRGZHSZZVJG-SWLSCSKDSA-N 1 0 388.339 2.887 20 0 GFADRO CC(=O)Nc1ccc(S(=O)(=O)N[C@H](C)C(C)(C)C[NH+](C)C)cc1Cl ZINC000467772331 564971910 /nfs/dbraw/zinc/97/19/10/564971910.db2.gz OAGRGHDDINUDHM-LLVKDONJSA-N 1 0 375.922 2.553 20 0 GFADRO CC[NH+]1CCN(CC(=O)N2CCC(c3cccc(Br)c3)CC2)CC1 ZINC000467852018 564973831 /nfs/dbraw/zinc/97/38/31/564973831.db2.gz NKKDLZBLZMTIIB-UHFFFAOYSA-N 1 0 394.357 2.793 20 0 GFADRO CCn1c2ccccc2nc1SCC(=O)N1C[C@@H]([NH+](C)C)[C@@H](SC)C1 ZINC000534093275 564979763 /nfs/dbraw/zinc/97/97/63/564979763.db2.gz GZBNGDVDHQOKRO-CVEARBPZSA-N 1 0 378.567 2.652 20 0 GFADRO CS[C@@H]1CN(C(=O)[C@@H](C)Oc2cccc(Br)c2)C[C@H]1[NH+](C)C ZINC000534093238 564979856 /nfs/dbraw/zinc/97/98/56/564979856.db2.gz SHQGLADBXSCQDK-KCPJHIHWSA-N 1 0 387.343 2.720 20 0 GFADRO C[C@@H]1CN(C(=O)Nc2cccc(Oc3ncc(Br)cn3)c2)CC[NH2+]1 ZINC000560984503 564979977 /nfs/dbraw/zinc/97/99/77/564979977.db2.gz QGNJYBLAVWWCMS-LLVKDONJSA-N 1 0 392.257 2.857 20 0 GFADRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)c1cncc(I)c1 ZINC000468474749 564984240 /nfs/dbraw/zinc/98/42/40/564984240.db2.gz JDHAHCBOXDDDAD-ZDUSSCGKSA-N 1 0 387.265 2.536 20 0 GFADRO CC[NH+](CC)[C@H](CNC(=O)NCc1ccc(S(C)(=O)=O)s1)CC(C)C ZINC000468461897 564984400 /nfs/dbraw/zinc/98/44/00/564984400.db2.gz UNHSEGUPLGIRFK-AWEZNQCLSA-N 1 0 389.587 2.707 20 0 GFADRO C[NH+](C)CCn1nnnc1SCc1ccc(Br)c(Cl)c1 ZINC000468489785 564984796 /nfs/dbraw/zinc/98/47/96/564984796.db2.gz YOXODIJXXKCBLE-UHFFFAOYSA-N 1 0 376.711 2.943 20 0 GFADRO COC(=O)C[C@@H](NC(=O)C[N@@H+]1CC[C@H](C)C1)c1ccc(Br)cc1 ZINC000561112263 564985036 /nfs/dbraw/zinc/98/50/36/564985036.db2.gz BOTCGYSAKINDOR-SWLSCSKDSA-N 1 0 383.286 2.511 20 0 GFADRO CC[NH+]1CCC(NS(=O)(=O)c2cc(Cl)ccc2O[C@H](C)COC)CC1 ZINC000468550256 564985682 /nfs/dbraw/zinc/98/56/82/564985682.db2.gz YAUWMTFXLVFRMG-CYBMUJFWSA-N 1 0 390.933 2.516 20 0 GFADRO CN(C)[C@H](C(=O)N1CC[C@@H](C(F)(F)F)[C@@H](CO)C1)c1cccc(Cl)c1 ZINC000561168450 564986060 /nfs/dbraw/zinc/98/60/60/564986060.db2.gz WHXACTREQJBFLK-YUELXQCFSA-N 1 0 378.822 2.962 20 0 GFADRO O=S(=O)(NC1CC[NH+](Cc2ccc3[nH]cnc3c2)CC1)c1cccs1 ZINC000534335488 564986215 /nfs/dbraw/zinc/98/62/15/564986215.db2.gz GUBMFRCWSZYXOO-UHFFFAOYSA-N 1 0 376.507 2.567 20 0 GFADRO COC(=O)CC[N@H+](CCN1CCO[C@@H](C)C1)Cc1cccc(Br)c1 ZINC000501846867 564986555 /nfs/dbraw/zinc/98/65/55/564986555.db2.gz AYEARUPIRGVDAT-HNNXBMFYSA-N 1 0 399.329 2.535 20 0 GFADRO C[C@@H](CCNC(=O)NCCCn1cc(Br)cn1)[NH+]1CCCCC1 ZINC000501877095 564987293 /nfs/dbraw/zinc/98/72/93/564987293.db2.gz ZHKAUNDQSGXNMJ-AWEZNQCLSA-N 1 0 386.338 2.599 20 0 GFADRO COc1cc(Br)ccc1[C@H](C)NC(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000561203386 564987863 /nfs/dbraw/zinc/98/78/63/564987863.db2.gz XBIMRNWNOVCUAP-XQQFMLRXSA-N 1 0 382.302 2.770 20 0 GFADRO C[NH+]1CCC([C@@H]2CCN(S(=O)(=O)c3cccc(Br)c3)C2)CC1 ZINC000534408161 564988203 /nfs/dbraw/zinc/98/82/03/564988203.db2.gz HGCXUTUKFUNFFG-CQSZACIVSA-N 1 0 387.343 2.802 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)c2cn(-c3ccc(Br)cc3)cn2)C[N@@H+]1C1CC1 ZINC000534416490 564988768 /nfs/dbraw/zinc/98/87/68/564988768.db2.gz KWIWSQJEXOXNPA-TZMCWYRMSA-N 1 0 389.297 2.990 20 0 GFADRO C[C@H](CNC(=O)c1cn(-c2ccc(Br)cc2)cn1)[NH+]1CCCC1 ZINC000534429744 564989048 /nfs/dbraw/zinc/98/90/48/564989048.db2.gz GTBWCPBBRWMTRN-CYBMUJFWSA-N 1 0 377.286 2.849 20 0 GFADRO C[C@H](C[NH+]1CCOCC1)C(=O)NCCCOc1ccc(Cl)cc1Cl ZINC000502037974 564990142 /nfs/dbraw/zinc/99/01/42/564990142.db2.gz UFBAJVXRJMPGKR-CYBMUJFWSA-N 1 0 375.296 2.847 20 0 GFADRO COC(=O)c1csc(S(=O)(=O)NCC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)c1 ZINC000502191579 564994029 /nfs/dbraw/zinc/99/40/29/564994029.db2.gz AQGOXPMOSXYSBQ-STQMWFEESA-N 1 0 388.555 2.570 20 0 GFADRO O=C([C@H]1C[N@@H+]2CCN1CCC2)N1CCC[C@@H]1c1cc(F)cc(Br)c1 ZINC000468792554 564994692 /nfs/dbraw/zinc/99/46/92/564994692.db2.gz BNHIXAKXVMKYAZ-IAGOWNOFSA-N 1 0 396.304 2.642 20 0 GFADRO CC(C)[N@H+](C)CCNC(=O)CCOc1ccccc1I ZINC000468855681 564995904 /nfs/dbraw/zinc/99/59/04/564995904.db2.gz GQCWSOXLJCXANL-UHFFFAOYSA-N 1 0 390.265 2.517 20 0 GFADRO CC[N@H+](CCOCCO)Cc1cn(-c2ccc(Br)cc2)nc1C ZINC000502344841 564996302 /nfs/dbraw/zinc/99/63/02/564996302.db2.gz KDVHPZKQXHNOFJ-UHFFFAOYSA-N 1 0 382.302 2.774 20 0 GFADRO CC[C@H]1C[N@H+](CCCOc2cccc(I)c2)C[C@H]1O ZINC000534863384 564997906 /nfs/dbraw/zinc/99/79/06/564997906.db2.gz BDFNJCGHJNGAEI-SWLSCSKDSA-N 1 0 375.250 2.763 20 0 GFADRO Cc1ccc(S(=O)(=O)NCC[NH2+][C@H](C)c2cnn(C3CCCC3)c2)s1 ZINC000502409038 564998272 /nfs/dbraw/zinc/99/82/72/564998272.db2.gz WERRGQWMWAPJLV-CQSZACIVSA-N 1 0 382.555 2.997 20 0 GFADRO CS[C@H]1CN(S(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)C[C@H]1[NH+](C)C ZINC000534907910 564999999 /nfs/dbraw/zinc/99/99/99/564999999.db2.gz QTXJLSRIYBRVMU-OLZOCXBDSA-N 1 0 386.436 2.511 20 0 GFADRO COc1ccc(-c2nc(C(=O)N3C[C@@H](SC)[C@H]([NH+](C)C)C3)cs2)cc1 ZINC000535000594 565002053 /nfs/dbraw/zinc/00/20/53/565002053.db2.gz NYKZPCNJHKKMMG-HZPDHXFCSA-N 1 0 377.535 2.936 20 0 GFADRO CC(C)NC(=O)CN(C)CC(=O)NCC(C)(C)c1ccc(Cl)c(Cl)c1 ZINC000502581068 565002095 /nfs/dbraw/zinc/00/20/95/565002095.db2.gz KLMOJIKNHIYKHL-UHFFFAOYSA-N 1 0 388.339 2.844 20 0 GFADRO CC[N@@H+]1C[C@H](C)N(C(=O)c2cccc(F)c2I)C[C@@H]1C ZINC000535028685 565003028 /nfs/dbraw/zinc/00/30/28/565003028.db2.gz HBNSAEZPSFUJSI-QWRGUYRKSA-N 1 0 390.240 2.985 20 0 GFADRO CSCC[C@H](C)[N@H+](C)CC(=O)N(C)CC(=O)Nc1ccccc1SC ZINC000535092364 565004601 /nfs/dbraw/zinc/00/46/01/565004601.db2.gz HPYHACDDYZCHFG-AWEZNQCLSA-N 1 0 383.583 2.879 20 0 GFADRO CC(C)c1nccn1CCC(=O)N[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000469131017 565006785 /nfs/dbraw/zinc/00/67/85/565006785.db2.gz YDZUCVQFDJERSL-OAHLLOKOSA-N 1 0 393.285 2.502 20 0 GFADRO CC(C)[NH+]1CCN(C(=O)N[C@H]2CCN(c3ccc(Br)cc3)C2)CC1 ZINC000502979660 565009942 /nfs/dbraw/zinc/00/99/42/565009942.db2.gz JYEQDSHOZAYPBQ-INIZCTEOSA-N 1 0 395.345 2.763 20 0 GFADRO C[C@H]([NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1)C(=O)NC[C@@H]1CCS(=O)(=O)C1 ZINC000561826620 565010536 /nfs/dbraw/zinc/01/05/36/565010536.db2.gz DHDWLFFBOAFRQR-SRVKXCTJSA-N 1 0 393.336 2.583 20 0 GFADRO C[NH+](C)[C@@H]1CCOc2c(NC(=O)c3cc(S(C)(=O)=O)cs3)cccc21 ZINC000469261296 565010989 /nfs/dbraw/zinc/01/09/89/565010989.db2.gz MFMZIGAQNIUZDY-CQSZACIVSA-N 1 0 380.491 2.789 20 0 GFADRO C[C@@H](Cc1ccccc1C(F)(F)F)[N@H+](C)CC1(O)CCS(=O)(=O)CC1 ZINC000561901050 565012667 /nfs/dbraw/zinc/01/26/67/565012667.db2.gz PKHHXKPREPAJQH-ZDUSSCGKSA-N 1 0 379.444 2.508 20 0 GFADRO CS[C@@H]1CN(S(=O)(=O)c2c(Cl)ccc(C)c2Cl)C[C@H]1[NH+](C)C ZINC000503209412 565014083 /nfs/dbraw/zinc/01/40/83/565014083.db2.gz UFAVGRXDVKVFGQ-VXGBXAGGSA-N 1 0 383.366 2.968 20 0 GFADRO CS[C@H]1CN(S(=O)(=O)c2cc(C(F)(F)F)ccc2C)C[C@@H]1[NH+](C)C ZINC000503244989 565016436 /nfs/dbraw/zinc/01/64/36/565016436.db2.gz UJRZHYXXDGFUNQ-STQMWFEESA-N 1 0 382.473 2.680 20 0 GFADRO CS(=O)(=O)N[C@H]1CCCC[C@H]1C[NH2+]Cc1cc(O)cc(C(F)(F)F)c1 ZINC000562074431 565017425 /nfs/dbraw/zinc/01/74/25/565017425.db2.gz SEKPGSXAYOLUID-WFASDCNBSA-N 1 0 380.432 2.609 20 0 GFADRO C[C@@H](O)C[N@@H+]1CCN(C(=O)N[C@@H](C)c2ccc(Br)cc2)[C@H](C)C1 ZINC000503557962 565023206 /nfs/dbraw/zinc/02/32/06/565023206.db2.gz MOCFEFMHYDSZRM-MCIONIFRSA-N 1 0 384.318 2.607 20 0 GFADRO CC(C)(C[NH2+]Cc1cn(-c2ccc(Cl)cc2Cl)nn1)N1CCOCC1 ZINC000535900366 565023626 /nfs/dbraw/zinc/02/36/26/565023626.db2.gz KWRDWHPXQHOAFQ-UHFFFAOYSA-N 1 0 384.311 2.775 20 0 GFADRO CC(C)OCC[NH+]1CCC(NS(=O)(=O)c2cc(F)cc(Cl)c2)CC1 ZINC000535897714 565023708 /nfs/dbraw/zinc/02/37/08/565023708.db2.gz HEWAWGQRZHTUQV-UHFFFAOYSA-N 1 0 378.897 2.647 20 0 GFADRO C[NH+]1CCC(C)(CNC(=O)[C@H]2CC(=O)Nc3ccc(Br)cc32)CC1 ZINC000469763025 565026550 /nfs/dbraw/zinc/02/65/50/565026550.db2.gz HCTYMTJLFGOZEQ-AWEZNQCLSA-N 1 0 394.313 2.723 20 0 GFADRO CC(C)Oc1cc(Br)ccc1C(=O)NCCNc1cc[nH+]cc1 ZINC000536016458 565026971 /nfs/dbraw/zinc/02/69/71/565026971.db2.gz COVLRFUJQYMGGA-UHFFFAOYSA-N 1 0 378.270 2.895 20 0 GFADRO C[C@@H](C(=O)Nc1ccc(Br)cc1)[N@@H+]1CC[C@H](c2nccn2C)C1 ZINC000536067435 565029080 /nfs/dbraw/zinc/02/90/80/565029080.db2.gz QGMGZRJFBUXSPY-STQMWFEESA-N 1 0 377.286 2.999 20 0 GFADRO COC(=O)[C@@H]1CC[N@H+]([C@@H](C)C(=O)N(C)Cc2ccc(Br)cc2)[C@H]1C ZINC000469851302 565030042 /nfs/dbraw/zinc/03/00/42/565030042.db2.gz YQIVLGDPPPAUED-HEHGZKQESA-N 1 0 397.313 2.679 20 0 GFADRO COc1cc(Cl)c(S(=O)(=O)NC[C@H](C)[N@@H+]2CCCC[C@H]2C)cc1OC ZINC000562502901 565031216 /nfs/dbraw/zinc/03/12/16/565031216.db2.gz DWAOTOQKUABJHR-OLZOCXBDSA-N 1 0 390.933 2.898 20 0 GFADRO O=C(CCSc1ccccc1Br)NCCNc1cc[nH+]cc1 ZINC000536307231 565034416 /nfs/dbraw/zinc/03/44/16/565034416.db2.gz CNBVDQQCVSNGPL-UHFFFAOYSA-N 1 0 380.311 2.977 20 0 GFADRO CS[C@@H]1CN(C(=O)c2cnn(-c3cccc(Cl)c3)c2C)C[C@@H]1[NH+](C)C ZINC000536336102 565035175 /nfs/dbraw/zinc/03/51/75/565035175.db2.gz YNFFNHHYFMNYCT-DLBZAZTESA-N 1 0 378.929 2.952 20 0 GFADRO COC(=O)[C@]1(C)CC[N@@H+]([C@@H](C)C(=O)Nc2ccc(Br)c(C)c2)C1 ZINC000470012194 565035508 /nfs/dbraw/zinc/03/55/08/565035508.db2.gz FJEAOJUAPFCGNA-YVEFUNNKSA-N 1 0 383.286 2.970 20 0 GFADRO COc1cc(Cl)c(CN2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)cc1Cl ZINC000470013784 565035774 /nfs/dbraw/zinc/03/57/74/565035774.db2.gz QNHAQUYPILVRCJ-CYBMUJFWSA-N 1 0 386.323 2.646 20 0 GFADRO Cc1cc(Br)cc(Cl)c1C(=O)N1CCC[N@@H+]([C@H](C)CO)CC1 ZINC000470043622 565036408 /nfs/dbraw/zinc/03/64/08/565036408.db2.gz HZKDDRLHYCYHPI-GFCCVEGCSA-N 1 0 389.721 2.940 20 0 GFADRO Cc1c(Br)cccc1CC(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000470083895 565037882 /nfs/dbraw/zinc/03/78/82/565037882.db2.gz XQRDBYSZKOQIHV-AWEZNQCLSA-N 1 0 383.330 2.917 20 0 GFADRO O=C(Nc1ccn(-c2ccc(Cl)cc2Cl)n1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000562757786 565041427 /nfs/dbraw/zinc/04/14/27/565041427.db2.gz MCUTUPKEDIGVLI-QGZVFWFLSA-N 1 0 380.279 3.396 20 0 GFADRO CC1CC[NH+](C[C@@H](O)CNC(=O)NCc2cc(Cl)sc2Cl)CC1 ZINC000536590871 565041897 /nfs/dbraw/zinc/04/18/97/565041897.db2.gz QPNQLHITCOYYDB-LBPRGKRZSA-N 1 0 380.341 2.947 20 0 GFADRO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@H]1C[C@@H]2CCCCN2C1=O ZINC000562784412 565042981 /nfs/dbraw/zinc/04/29/81/565042981.db2.gz OKBHCIUFAIQFKP-KCXAZCMYSA-N 1 0 394.313 2.909 20 0 GFADRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)N[C@H](CO)c2ccc(Br)cc2)C1 ZINC000504666157 565043013 /nfs/dbraw/zinc/04/30/13/565043013.db2.gz PBXOQKHRFWEECA-RHSMWYFYSA-N 1 0 398.345 2.902 20 0 GFADRO C[C@@H](CNC(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1)Oc1ccccc1Br ZINC000562810440 565044087 /nfs/dbraw/zinc/04/40/87/565044087.db2.gz VGFPYXPKTWSIDS-DUVNUKRYSA-N 1 0 396.329 2.904 20 0 GFADRO CN(C)C(=O)CC[NH+]1CCN(Cc2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000536663539 565044374 /nfs/dbraw/zinc/04/43/74/565044374.db2.gz MYROCTAONCLFNV-UHFFFAOYSA-N 1 0 377.838 2.955 20 0 GFADRO CC(=O)Nc1ccc(S(=O)(=O)N2CCCC[C@H]2[C@H]2CCC[NH2+]2)cc1Cl ZINC000562841759 565044654 /nfs/dbraw/zinc/04/46/54/565044654.db2.gz RLPMZGPPXXDLAX-SJORKVTESA-N 1 0 385.917 2.594 20 0 GFADRO C[C@@H](NC(=O)N[C@H](CO)c1ccc(Br)cc1)C(C)(C)C[NH+](C)C ZINC000504835750 565045266 /nfs/dbraw/zinc/04/52/66/565045266.db2.gz UBNXAYIZOHZXEJ-IUODEOHRSA-N 1 0 386.334 2.758 20 0 GFADRO CS[C@H]1CN(C(=O)CCOCC(F)(F)C(F)(F)F)C[C@H]1[NH+]1CCCC1 ZINC000504873334 565045615 /nfs/dbraw/zinc/04/56/15/565045615.db2.gz SBGCZCPPVFHLLO-NEPJUHHUSA-N 1 0 390.418 2.629 20 0 GFADRO C[C@H]([NH2+]CCC1CCS(=O)(=O)CC1)c1ccc(-n2cncn2)cc1Cl ZINC000536833838 565048415 /nfs/dbraw/zinc/04/84/15/565048415.db2.gz QFOIBTXTFYRXQA-ZDUSSCGKSA-N 1 0 382.917 2.786 20 0 GFADRO C[C@H]([NH2+]CCS(=O)(=O)NC[C@@H]1CCCCO1)c1cc2c(s1)CCCC2 ZINC000536864867 565048547 /nfs/dbraw/zinc/04/85/47/565048547.db2.gz QSAVMPOOCMAYSO-HOCLYGCPSA-N 1 0 386.583 2.766 20 0 GFADRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+]C1CCN(Cc2ccccc2Br)CC1 ZINC000536892555 565049331 /nfs/dbraw/zinc/04/93/31/565049331.db2.gz GYTQSDLUTKHSKD-SJLPKXTDSA-N 1 0 394.357 2.918 20 0 GFADRO C[C@H](Sc1ccccc1Cl)C(=O)N1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000562963729 565049317 /nfs/dbraw/zinc/04/93/17/565049317.db2.gz CHGFCOSSUYBUGQ-JSGCOSHPSA-N 1 0 379.917 2.735 20 0 GFADRO CCCCOCCN(C(=O)C[C@@H]1COCC[NH2+]1)c1ccc(Br)cc1 ZINC000562972817 565049985 /nfs/dbraw/zinc/04/99/85/565049985.db2.gz TWVPHPXSRHIVNQ-MRXNPFEDSA-N 1 0 399.329 2.977 20 0 GFADRO CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000536924210 565050121 /nfs/dbraw/zinc/05/01/21/565050121.db2.gz DILYHNLQOMGVGK-RCBQFDQVSA-N 1 0 384.318 2.919 20 0 GFADRO COc1ccc(Br)cc1CC(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2 ZINC000562976891 565050633 /nfs/dbraw/zinc/05/06/33/565050633.db2.gz YJGOHAJZWHRYPY-CQSZACIVSA-N 1 0 390.281 2.850 20 0 GFADRO C[C@@H]1CN(C[C@@H](O)C[NH2+]CCCOc2ccc(Cl)cc2Cl)C[C@@H](C)O1 ZINC000562985944 565050825 /nfs/dbraw/zinc/05/08/25/565050825.db2.gz KPYKXONFDUFFMC-FMKPAKJESA-N 1 0 391.339 2.822 20 0 GFADRO C[C@H]([NH2+]C1CC1)C(=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000563034883 565052683 /nfs/dbraw/zinc/05/26/83/565052683.db2.gz LRDPLOXGTOYBLY-JTQLQIEISA-N 1 0 376.810 2.543 20 0 GFADRO Cc1cc(C(=O)N(C)CCC[NH+](C)C)nn1-c1ccc(Br)cc1 ZINC000537215797 565055092 /nfs/dbraw/zinc/05/50/92/565055092.db2.gz ZNCKXZXWIHTIMT-UHFFFAOYSA-N 1 0 379.302 2.967 20 0 GFADRO Cc1cc(NC(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)cc(C)c1Br ZINC000563097063 565055396 /nfs/dbraw/zinc/05/53/96/565055396.db2.gz LWHNGPONGMKCPB-GFCCVEGCSA-N 1 0 378.274 2.662 20 0 GFADRO O=C([C@@H]1C[C@]12CCc1cc(Br)ccc12)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000563089185 565055432 /nfs/dbraw/zinc/05/54/32/565055432.db2.gz WTHHCPSMSLPMTF-TWILYEHCSA-N 1 0 375.310 2.863 20 0 GFADRO COc1cc(C(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc(Br)c1OC ZINC000563100175 565055886 /nfs/dbraw/zinc/05/58/86/565055886.db2.gz RWZFGCNOCQEMKY-STQMWFEESA-N 1 0 397.313 2.928 20 0 GFADRO COc1ccc(I)c(NC(=O)N[C@H](C)C[C@@H](C)[NH3+])c1 ZINC000563134380 565056757 /nfs/dbraw/zinc/05/67/57/565056757.db2.gz ZSIVRSIMHFSIQR-RKDXNWHRSA-N 1 0 377.226 2.547 20 0 GFADRO [NH3+]CCCN(CC1CCCC1)S(=O)(=O)c1cc2c(cc1Cl)OCCO2 ZINC000563129432 565056799 /nfs/dbraw/zinc/05/67/99/565056799.db2.gz YCUCKDLHAJRNIE-UHFFFAOYSA-N 1 0 388.917 2.641 20 0 GFADRO OC[C@H](C[NH2+]C[C@@H](O)CC(F)(F)F)Cc1ccc(F)c(Br)c1 ZINC000563137974 565056967 /nfs/dbraw/zinc/05/69/67/565056967.db2.gz JPHMGIIEARSGNI-QWRGUYRKSA-N 1 0 388.199 2.642 20 0 GFADRO COC(=O)[C@H](NC(=O)C[C@H]1CCCC[C@H]1[NH3+])c1ccc(Br)cc1 ZINC000563152378 565057568 /nfs/dbraw/zinc/05/75/68/565057568.db2.gz QGBDUTMKWXUTSE-XNRPHZJLSA-N 1 0 383.286 2.687 20 0 GFADRO CS[C@H]1CN(C(=O)c2cnn(C(C)(C)C)c2C(F)(F)F)C[C@@H]1[NH+](C)C ZINC000537923897 565064507 /nfs/dbraw/zinc/06/45/07/565064507.db2.gz BGDZZKIBWGKXOV-RYUDHWBXSA-N 1 0 378.464 2.775 20 0 GFADRO COC[C@](C)(CC(=O)OC)[NH2+]CC1=Cc2cc(Br)ccc2OC1 ZINC000584497962 565084286 /nfs/dbraw/zinc/08/42/86/565084286.db2.gz SNLVSNUZZBBSKE-KRWDZBQOSA-N 1 0 384.270 2.783 20 0 GFADRO CC(C)[C@@H]1CN(C(=O)c2cc(Br)cc3c2OCCO3)CC[N@@H+]1C ZINC000613967815 565087990 /nfs/dbraw/zinc/08/79/90/565087990.db2.gz KPEOPWPXXQMXQK-AWEZNQCLSA-N 1 0 383.286 2.633 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S(=O)(=O)CC[NH2+]CC1=CCCCC1 ZINC000584586124 565089154 /nfs/dbraw/zinc/08/91/54/565089154.db2.gz LMTQECRFDNHOGC-UHFFFAOYSA-N 1 0 385.551 2.734 20 0 GFADRO Cn1nc2cc(Br)ccc2c1C(=O)N[C@H]1C[C@@H]([NH+]2CCCC2)C1 ZINC000636100255 565089979 /nfs/dbraw/zinc/08/99/79/565089979.db2.gz KOLPIMLRAOGNDX-BETUJISGSA-N 1 0 377.286 2.692 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH2+]C[C@@H]1CCCNC1=O ZINC000657284410 565095472 /nfs/dbraw/zinc/09/54/72/565095472.db2.gz PXMYYDMGUSMEPK-AWEZNQCLSA-N 1 0 391.313 2.867 20 0 GFADRO Cc1c(Br)cncc1C[NH2+]CCCNC(=O)c1cccc(O)c1 ZINC000657341424 565098207 /nfs/dbraw/zinc/09/82/07/565098207.db2.gz XEUKTEAZRKXWBE-UHFFFAOYSA-N 1 0 378.270 2.768 20 0 GFADRO CNS(=O)(=O)CCC[N@@H+]1CCCC[C@H]1Cc1ccccc1Br ZINC000584794177 565099251 /nfs/dbraw/zinc/09/92/51/565099251.db2.gz RQYCAVGVVGVJTO-HNNXBMFYSA-N 1 0 389.359 2.785 20 0 GFADRO OC[C@H](C[NH2+]Cc1ccnn1CC1CC1)Cc1ccccc1Br ZINC000657448057 565101654 /nfs/dbraw/zinc/10/16/54/565101654.db2.gz GXOGPVFCTQLPNA-HNNXBMFYSA-N 1 0 378.314 2.996 20 0 GFADRO Cc1ncsc1-c1ccc(C[NH2+][C@H]2CCC[C@H]2CNS(C)(=O)=O)cc1 ZINC000657459564 565101827 /nfs/dbraw/zinc/10/18/27/565101827.db2.gz XUZUVGJJTYJLGN-IRXDYDNUSA-N 1 0 379.551 2.926 20 0 GFADRO OC[C@@H](C[NH2+]Cc1cnn2c1CCC2)Cc1cc(Br)ccc1F ZINC000657483049 565103621 /nfs/dbraw/zinc/10/36/21/565103621.db2.gz FKFFNLVGAKFZED-GFCCVEGCSA-N 1 0 382.277 2.672 20 0 GFADRO COc1ccc(Br)cc1C[C@@H](CO)C[NH2+]Cc1cnn2c1CCC2 ZINC000657486081 565104890 /nfs/dbraw/zinc/10/48/90/565104890.db2.gz YLKQHCOKSDCZDO-CYBMUJFWSA-N 1 0 394.313 2.541 20 0 GFADRO CCOc1c(Br)cc(C[NH2+]C[C@H](OC)[C@@H]2CCOC2)cc1OC ZINC000657546118 565107348 /nfs/dbraw/zinc/10/73/48/565107348.db2.gz YHGYIQZBMOUHGY-CJNGLKHVSA-N 1 0 388.302 2.998 20 0 GFADRO CO[C@H](C[NH2+]Cc1nc(-c2cccc(Br)c2)c[nH]1)[C@H]1CCOC1 ZINC000657539815 565107413 /nfs/dbraw/zinc/10/74/13/565107413.db2.gz CICJCWDRIUUIOI-XJKSGUPXSA-N 1 0 380.286 2.980 20 0 GFADRO CC[C@@H]1C[N@H+](C)CCCN1C(=O)c1cnc2ccc(Br)cc2c1O ZINC000614328973 565108529 /nfs/dbraw/zinc/10/85/29/565108529.db2.gz CHGOZCDQOQVGKQ-CYBMUJFWSA-N 1 0 392.297 2.847 20 0 GFADRO CC[NH+](CC)CC[C@@H](CO)NC(=O)c1c(Cl)cccc1Br ZINC000614349448 565109449 /nfs/dbraw/zinc/10/94/49/565109449.db2.gz UCTFORQBUCLHKV-NSHDSACASA-N 1 0 377.710 2.925 20 0 GFADRO O[C@@H]1CC[N@H+](Cc2ccc(CNCc3ncc(Br)s3)cc2)C1 ZINC000657595765 565111695 /nfs/dbraw/zinc/11/16/95/565111695.db2.gz JWQZCUKVFSHBJF-CQSZACIVSA-N 1 0 382.327 2.762 20 0 GFADRO CC[NH+](CC)CCS(=O)(=O)N[C@H](COC)c1cccc(C(F)(F)F)c1 ZINC000685592444 565113211 /nfs/dbraw/zinc/11/32/11/565113211.db2.gz YPONZQDVMZDHFD-OAHLLOKOSA-N 1 0 382.448 2.654 20 0 GFADRO Cc1cc(Br)cc(C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)c1C ZINC000614451471 565113849 /nfs/dbraw/zinc/11/38/49/565113849.db2.gz VTDISGVZTSIPFY-UHFFFAOYSA-N 1 0 382.346 2.822 20 0 GFADRO CCC[N@H+](CC)C[C@@H](C)NS(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1F ZINC000685610668 565115474 /nfs/dbraw/zinc/11/54/74/565115474.db2.gz OVEHCCKJXAYOMK-LLVKDONJSA-N 1 0 393.912 2.836 20 0 GFADRO O=C(NC[C@H]1C[N@@H+]2CCN1CCC2)C1(c2c(Cl)cccc2Cl)CCC1 ZINC000614506133 565116923 /nfs/dbraw/zinc/11/69/23/565116923.db2.gz WGMIQEFKZHHVMD-AWEZNQCLSA-N 1 0 382.335 2.921 20 0 GFADRO O[C@@H]1C[C@@H]([NH2+]Cc2ccc(Br)cc2N2CCOCC2)C12CCC2 ZINC000657706425 565122381 /nfs/dbraw/zinc/12/23/81/565122381.db2.gz PDMOZESSYARTBU-IAGOWNOFSA-N 1 0 381.314 2.679 20 0 GFADRO C[NH+](C)C[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Br)cc1 ZINC000614634225 565125439 /nfs/dbraw/zinc/12/54/39/565125439.db2.gz ZYUFOPAZCNREHT-MRXNPFEDSA-N 1 0 397.338 2.900 20 0 GFADRO CN1CCC[C@H](NC(=O)N[C@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)C1=O ZINC000636906742 565129470 /nfs/dbraw/zinc/12/94/70/565129470.db2.gz RKUNKKQGGCHAFX-LSDHHAIUSA-N 1 0 387.311 2.516 20 0 GFADRO CN1CCN(Cc2ccccc2)[C@H](C[NH2+]Cc2cncc(Br)c2)C1 ZINC000657801245 565131465 /nfs/dbraw/zinc/13/14/65/565131465.db2.gz PTFQDSLVGFDTMP-LJQANCHMSA-N 1 0 389.341 2.750 20 0 GFADRO C[C@H](NC(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1)c1ncn(C)n1 ZINC000637072901 565136860 /nfs/dbraw/zinc/13/68/60/565136860.db2.gz HVCRYIORTBUNCD-HZMBPMFUSA-N 1 0 385.299 2.785 20 0 GFADRO C[C@@H](NC(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1)c1ncn(C)n1 ZINC000637072905 565137084 /nfs/dbraw/zinc/13/70/84/565137084.db2.gz HVCRYIORTBUNCD-QMTHXVAHSA-N 1 0 385.299 2.785 20 0 GFADRO CCCN(Cc1ccccc1Br)C(=O)NCC[N@H+](C)CCOC ZINC000588981863 565147118 /nfs/dbraw/zinc/14/71/18/565147118.db2.gz XGCPCCCWPFILHZ-UHFFFAOYSA-N 1 0 386.334 2.949 20 0 GFADRO COc1cccc2c1CC[C@@H]2[NH2+]CCNC(=O)c1ccc(Br)cn1 ZINC000658091788 565149459 /nfs/dbraw/zinc/14/94/59/565149459.db2.gz IBIOKZUAHPQUAU-HNNXBMFYSA-N 1 0 390.281 2.860 20 0 GFADRO O=C(NCC[NH2+][C@@H]1CCCC[C@H]1[C@H]1CCOC1)c1ccc(Br)cn1 ZINC000658092599 565149603 /nfs/dbraw/zinc/14/96/03/565149603.db2.gz OKGUWPXAUKJKNS-CWRNSKLLSA-N 1 0 396.329 2.759 20 0 GFADRO COCC[N@@H+]1CCCN(C(=O)[C@H](C)Oc2cc(Cl)cc(Cl)c2)CC1 ZINC000589114704 565151352 /nfs/dbraw/zinc/15/13/52/565151352.db2.gz OIMLLWJJFOYSRS-ZDUSSCGKSA-N 1 0 375.296 2.941 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)C(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000658123353 565151755 /nfs/dbraw/zinc/15/17/55/565151755.db2.gz ZHNHIOROHLDIMJ-ZDUSSCGKSA-N 1 0 382.302 2.685 20 0 GFADRO C[N@@H+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)[C@@H]1CCc2cc(Br)ccc21 ZINC000615276550 565154260 /nfs/dbraw/zinc/15/42/60/565154260.db2.gz SBINBBZQALVXGS-KURKYZTESA-N 1 0 393.325 2.801 20 0 GFADRO C[C@H](Oc1ccc(Br)cc1)C(=O)N1CCOC[C@H]1[C@@H]1CCC[N@@H+]1C ZINC000615265697 565154495 /nfs/dbraw/zinc/15/44/95/565154495.db2.gz JPYIAZXUWLUHJC-JQFCIGGWSA-N 1 0 397.313 2.538 20 0 GFADRO CN1CC[NH+](CC2CN(C(=O)c3ccc(Cl)c(C(F)(F)F)c3)C2)CC1 ZINC000615273431 565154513 /nfs/dbraw/zinc/15/45/13/565154513.db2.gz QZKRYCREDXYEDZ-UHFFFAOYSA-N 1 0 375.822 2.678 20 0 GFADRO COc1ccc(Br)c(CNC(=O)N2CC[C@@H]([NH+]3CCCC3)C2)c1 ZINC000589212896 565156424 /nfs/dbraw/zinc/15/64/24/565156424.db2.gz MEWBVWKWLJGBPG-CQSZACIVSA-N 1 0 382.302 2.837 20 0 GFADRO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)c1ccn(-c2ccc(Br)cc2)n1 ZINC000615302808 565156717 /nfs/dbraw/zinc/15/67/17/565156717.db2.gz OQDMNQIELPCGTP-MLGOLLRUSA-N 1 0 377.286 2.799 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000658259446 565157172 /nfs/dbraw/zinc/15/71/72/565157172.db2.gz CMZCYGJHPJQRDM-AWEZNQCLSA-N 1 0 396.329 2.993 20 0 GFADRO C[C@H]([NH2+]C[C@@H](CO)CC1CC1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000658254226 565157490 /nfs/dbraw/zinc/15/74/90/565157490.db2.gz QHYAZGUSGFIUKK-ONGXEEELSA-N 1 0 381.325 2.700 20 0 GFADRO C[NH+](C)C[C@@H](NC(=O)N[C@@H](CO)CC(F)F)c1ccc(Cl)c(Cl)c1 ZINC000637476149 565158303 /nfs/dbraw/zinc/15/83/03/565158303.db2.gz XXGKDGNCROOZFG-ZWNOBZJWSA-N 1 0 384.254 2.911 20 0 GFADRO CC(=O)N[C@@H]1CCN(C(=O)N[C@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)C1 ZINC000637471632 565158373 /nfs/dbraw/zinc/15/83/73/565158373.db2.gz AQPCDVQSCIUDAN-CZUORRHYSA-N 1 0 387.311 2.516 20 0 GFADRO CSC1(CNS(=O)(=O)c2ccccc2Br)CC[NH+](C)CC1 ZINC000589296111 565160471 /nfs/dbraw/zinc/16/04/71/565160471.db2.gz DRFHTOFBYCPLLW-UHFFFAOYSA-N 1 0 393.372 2.555 20 0 GFADRO O=C(NCc1csc(C(F)(F)F)c1)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000637524161 565160536 /nfs/dbraw/zinc/16/05/36/565160536.db2.gz LTBHTHKTGGSEPT-STQMWFEESA-N 1 0 377.432 2.508 20 0 GFADRO CCN(C(=O)C(=O)Nc1ccc(Cl)c(Br)c1)[C@H]1CC[N@H+](C)C1 ZINC000658361028 565161261 /nfs/dbraw/zinc/16/12/61/565161261.db2.gz NGLLSTWSSPSZJW-NSHDSACASA-N 1 0 388.693 2.594 20 0 GFADRO C[C@@H](NS(=O)(=O)c1cc(Cl)cc(Br)c1)[C@@H]1CCC[NH2+]C1 ZINC000658364634 565161899 /nfs/dbraw/zinc/16/18/99/565161899.db2.gz DPVJMRWXFGNOTR-NXEZZACHSA-N 1 0 381.723 2.769 20 0 GFADRO O=C(NCc1ccsc1C(F)(F)F)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000637591662 565162351 /nfs/dbraw/zinc/16/23/51/565162351.db2.gz LHQYNBPUUZUXIS-CYBMUJFWSA-N 1 0 377.432 2.508 20 0 GFADRO C[NH+]1CCC2(CC1)CN(C(=O)NCc1ccsc1C(F)(F)F)CCO2 ZINC000637593676 565163437 /nfs/dbraw/zinc/16/34/37/565163437.db2.gz XLNJPZKIPBRUNP-UHFFFAOYSA-N 1 0 377.432 2.773 20 0 GFADRO [NH3+][C@@H]1CCC[C@H]2CN(S(=O)(=O)c3cc(Cl)ccc3OC(F)(F)F)C[C@H]21 ZINC000658376069 565163680 /nfs/dbraw/zinc/16/36/80/565163680.db2.gz PYZPDJHTCQBMLR-MVWJERBFSA-N 1 0 398.834 2.987 20 0 GFADRO O=S(=O)(Cc1cc(F)ccc1Br)NCCC[C@H]1CCC[NH2+]1 ZINC000658381108 565164539 /nfs/dbraw/zinc/16/45/39/565164539.db2.gz UWUFCUQNNAQXEM-CYBMUJFWSA-N 1 0 379.295 2.540 20 0 GFADRO O=S(=O)(N[C@H]1CC12CC[NH2+]CC2)c1cc(Cl)cc(Br)c1 ZINC000658379936 565164760 /nfs/dbraw/zinc/16/47/60/565164760.db2.gz AXPNQSJEKVHWBE-LBPRGKRZSA-N 1 0 379.707 2.523 20 0 GFADRO CCCOc1ccc(Br)cc1S(=O)(=O)N1CC[NH2+][C@@H](C)[C@H]1C ZINC000658378121 565164941 /nfs/dbraw/zinc/16/49/41/565164941.db2.gz LTZXSNXKJRXUTI-NWDGAFQWSA-N 1 0 391.331 2.609 20 0 GFADRO CN(C1CC([NH3+])C1)S(=O)(=O)c1cc(Cl)c(Cl)cc1Br ZINC000658380860 565164993 /nfs/dbraw/zinc/16/49/93/565164993.db2.gz HVVIZNBUNIJZPO-UHFFFAOYSA-N 1 0 388.114 2.866 20 0 GFADRO C[NH2+]CCCN(C)S(=O)(=O)c1cc(Cl)c(Cl)cc1Br ZINC000658382288 565166149 /nfs/dbraw/zinc/16/61/49/565166149.db2.gz ZFEKMURIGOKKNO-UHFFFAOYSA-N 1 0 390.130 2.986 20 0 GFADRO CSc1ccccc1S(=O)(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000658392685 565167003 /nfs/dbraw/zinc/16/70/03/565167003.db2.gz NFWHBYRXMWLJKI-HZPDHXFCSA-N 1 0 380.510 2.972 20 0 GFADRO O=S(=O)(c1ccccc1Br)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000658387227 565167108 /nfs/dbraw/zinc/16/71/08/565167108.db2.gz MACKJYYGLAUZAN-AWEZNQCLSA-N 1 0 387.343 2.849 20 0 GFADRO C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1cc(Br)cc3nc[nH]c31)C2 ZINC000615604169 565167315 /nfs/dbraw/zinc/16/73/15/565167315.db2.gz QSLCZWQDXDLLIH-QGZVFWFLSA-N 1 0 377.286 2.883 20 0 GFADRO C[C@H](CCNC(=O)C(=O)Nc1cccnc1-c1ccc(Cl)s1)[NH+](C)C ZINC000658426261 565169256 /nfs/dbraw/zinc/16/92/56/565169256.db2.gz JGGNMEXXDQAPDF-LLVKDONJSA-N 1 0 380.901 2.858 20 0 GFADRO C[NH+]1CCN(c2cccc(C(=O)Nc3cscc3Br)n2)CC1 ZINC000615734762 565171636 /nfs/dbraw/zinc/17/16/36/565171636.db2.gz OLTPLANBZCEYIB-UHFFFAOYSA-N 1 0 381.299 2.910 20 0 GFADRO [NH3+][C@@H]1CC=C(C(=O)NCC2(c3cccc(Br)c3)CCOCC2)C1 ZINC000637938849 565176921 /nfs/dbraw/zinc/17/69/21/565176921.db2.gz YYSCOUVHDMKBME-MRXNPFEDSA-N 1 0 379.298 2.661 20 0 GFADRO COc1cccc(C[C@@H]([NH3+])C(=O)NCc2cc(OC)ccc2Br)c1 ZINC000637936036 565176965 /nfs/dbraw/zinc/17/69/65/565176965.db2.gz MLUBGXYXLXTNEV-QGZVFWFLSA-N 1 0 393.281 2.653 20 0 GFADRO C[N@@H+](Cc1ccc(S(N)(=O)=O)c(Cl)c1)C[C@@H]1OCCc2ccccc21 ZINC000637966576 565178208 /nfs/dbraw/zinc/17/82/08/565178208.db2.gz AGVFLGKTAICFMO-KRWDZBQOSA-N 1 0 380.897 2.733 20 0 GFADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(Cl)ccc1Br ZINC000590116902 565178481 /nfs/dbraw/zinc/17/84/81/565178481.db2.gz DCNMEMDKRHGUSU-GFCCVEGCSA-N 1 0 375.694 2.943 20 0 GFADRO COc1cccc(C[C@@H]([NH3+])C(=O)NCc2cc(Br)ccc2OC)c1 ZINC000637966281 565178606 /nfs/dbraw/zinc/17/86/06/565178606.db2.gz PJGAPDFTHRSSAQ-MRXNPFEDSA-N 1 0 393.281 2.653 20 0 GFADRO Brc1cnc2c(CN3CCCC[C@@H]([NH+]4CCCC4)C3)cnn2c1 ZINC000637995468 565179962 /nfs/dbraw/zinc/17/99/62/565179962.db2.gz DEPXQMJGDWDPLW-MRXNPFEDSA-N 1 0 378.318 2.942 20 0 GFADRO [NH3+][C@H]1CC=C(C(=O)Nc2ccc(CCn3cc(Br)cn3)cc2)C1 ZINC000638013524 565181546 /nfs/dbraw/zinc/18/15/46/565181546.db2.gz GJRSKTRHFHBBJW-HNNXBMFYSA-N 1 0 375.270 2.874 20 0 GFADRO COc1cc(CN2CC[NH+](C3CCOCC3)CC2)c(F)cc1Br ZINC000638109351 565185243 /nfs/dbraw/zinc/18/52/43/565185243.db2.gz UAWULENMEPIESO-UHFFFAOYSA-N 1 0 387.293 2.893 20 0 GFADRO CC[C@](C)(C[NH+]1CCN(CC(=O)Nc2ccc(Br)cc2)CC1)OC ZINC000638179151 565187838 /nfs/dbraw/zinc/18/78/38/565187838.db2.gz QCOSZRUCNAATTL-GOSISDBHSA-N 1 0 398.345 2.820 20 0 GFADRO COCC1(CNC(=O)[C@H]2C[C@@]2(C)c2cccc(Br)c2)CC[NH2+]CC1 ZINC000638224420 565188652 /nfs/dbraw/zinc/18/86/52/565188652.db2.gz IXXSHVXKDZDFQF-AEFFLSMTSA-N 1 0 395.341 2.859 20 0 GFADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1c[nH]c2ccc(Br)cc12 ZINC000590511919 565190090 /nfs/dbraw/zinc/19/00/90/565190090.db2.gz CRSCIUAUCANCCS-CYBMUJFWSA-N 1 0 380.286 2.771 20 0 GFADRO CC(C)(C[NH+]1CCCC1)NC(=O)c1cc(Br)cc2[nH]c(=O)[nH]c21 ZINC000616157806 565192700 /nfs/dbraw/zinc/19/27/00/565192700.db2.gz ZKULIWXNFSLYST-UHFFFAOYSA-N 1 0 381.274 2.635 20 0 GFADRO O=C(c1ccc2cncc(Br)c2n1)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000638330708 565192794 /nfs/dbraw/zinc/19/27/94/565192794.db2.gz SNTMFKGRVQWXOR-MLGOLLRUSA-N 1 0 389.297 2.997 20 0 GFADRO [NH3+]C[C@@]1(C(=O)N[C@H]2C[C@H](c3ccc(F)c(Br)c3)C2)CCCOC1 ZINC000638326889 565192878 /nfs/dbraw/zinc/19/28/78/565192878.db2.gz VIGGFGCVHWKEIY-DCGLDWPTSA-N 1 0 385.277 2.706 20 0 GFADRO C[C@H]1CC2(CN1C(=O)c1cc(Br)cc3nc[nH]c31)CC[NH2+]CC2 ZINC000638365804 565193435 /nfs/dbraw/zinc/19/34/35/565193435.db2.gz IBGWXBFPJZCFBS-NSHDSACASA-N 1 0 377.286 2.930 20 0 GFADRO O=C1C[C@H]([NH2+]CC2(c3cccc(Br)c3)CCOCC2)CCCN1 ZINC000638391073 565193659 /nfs/dbraw/zinc/19/36/59/565193659.db2.gz ONRXISWUMFRASR-MRXNPFEDSA-N 1 0 381.314 2.756 20 0 GFADRO C[NH2+]C[C@H](C)NC(=O)Nc1cc(Br)cnc1OCC(F)(F)F ZINC000658994724 565197948 /nfs/dbraw/zinc/19/79/48/565197948.db2.gz QNAPGDYWNKCPIG-ZETCQYMHSA-N 1 0 385.184 2.515 20 0 GFADRO O=C(C[C@H]1COCC[NH2+]1)N1CC[C@H](Sc2ccc(Br)cc2)C1 ZINC000638471965 565198170 /nfs/dbraw/zinc/19/81/70/565198170.db2.gz CQJDJFRSVZCKCI-ZFWWWQNUSA-N 1 0 385.327 2.521 20 0 GFADRO C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)Nc2cc(Cl)ccc2Cl)CCO1 ZINC000658998193 565198522 /nfs/dbraw/zinc/19/85/22/565198522.db2.gz NNRZXOQMIFXCNL-ZDUSSCGKSA-N 1 0 388.295 2.501 20 0 GFADRO O=C(NCc1cc(Cl)cc(Cl)c1)Nc1cnc(N2CC[NH2+]CC2)nc1 ZINC000659022245 565198988 /nfs/dbraw/zinc/19/89/88/565198988.db2.gz PZNWHLRYIJCSQY-UHFFFAOYSA-N 1 0 381.267 2.515 20 0 GFADRO O=C(N[C@@H]1CC[NH2+]C12CCC2)[C@H]1CCN(c2cc(Cl)ccc2Cl)C1=O ZINC000638505835 565199181 /nfs/dbraw/zinc/19/91/81/565199181.db2.gz XRLCMKFUIKYUES-IUODEOHRSA-N 1 0 382.291 2.747 20 0 GFADRO O=C(NCCC[NH2+]C1CC(n2cccn2)C1)c1ccc(Br)cc1 ZINC000638490418 565199199 /nfs/dbraw/zinc/19/91/99/565199199.db2.gz XVAYVXDHOKSQKU-UHFFFAOYSA-N 1 0 377.286 2.759 20 0 GFADRO Cc1cc(Br)c(Cl)cc1NC(=O)C(=O)N1C[C@@H](C[NH3+])C[C@H]1C ZINC000659081808 565200367 /nfs/dbraw/zinc/20/03/67/565200367.db2.gz RGECLATXJURHGX-NXEZZACHSA-N 1 0 388.693 2.545 20 0 GFADRO Cc1cc(Br)c(Cl)cc1NC(=O)C(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000659076887 565200574 /nfs/dbraw/zinc/20/05/74/565200574.db2.gz HWOZPUXIQMUJDN-JOYOIKCWSA-N 1 0 388.693 2.545 20 0 GFADRO O=C(Nc1cccc(Br)c1)C(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000659092727 565201290 /nfs/dbraw/zinc/20/12/90/565201290.db2.gz YSEUUGCNPJHXHJ-AWEZNQCLSA-N 1 0 394.313 2.626 20 0 GFADRO CC(=O)Nc1ccc(Cl)c(C(=O)N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)c1 ZINC000638557679 565201660 /nfs/dbraw/zinc/20/16/60/565201660.db2.gz RVAHBSYNUAYKEY-MFKMUULPSA-N 1 0 377.794 2.898 20 0 GFADRO O=C(NCc1cc(F)c(Br)cc1F)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000638602781 565204412 /nfs/dbraw/zinc/20/44/12/565204412.db2.gz YZJIPVNCJCBIDT-GFCCVEGCSA-N 1 0 399.239 2.778 20 0 GFADRO C[C@@H]1C[C@@H](c2ccc(Br)cc2)CN1C(=O)COC1CC[NH2+]CC1 ZINC000638701240 565208289 /nfs/dbraw/zinc/20/82/89/565208289.db2.gz ZLQDENTYOAQJCV-UKRRQHHQSA-N 1 0 381.314 2.922 20 0 GFADRO CC(C)[N@H+](C)C[C@H](C)NC(=O)CCNC(=O)Nc1ccc(Br)cc1 ZINC000638728665 565208428 /nfs/dbraw/zinc/20/84/28/565208428.db2.gz DHUMTXYCHRHFJI-ZDUSSCGKSA-N 1 0 399.333 2.806 20 0 GFADRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)c1ccc(NC(=O)c2ccc(Br)o2)cc1 ZINC000638772130 565210543 /nfs/dbraw/zinc/21/05/43/565210543.db2.gz ZZMXLYXOGSNXCA-GXFFZTMASA-N 1 0 392.253 2.775 20 0 GFADRO O=C(COc1cc(Cl)ccc1Cl)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000638778409 565210599 /nfs/dbraw/zinc/21/05/99/565210599.db2.gz KKVZSTNRUPQJAN-OAHLLOKOSA-N 1 0 387.307 2.989 20 0 GFADRO O=C(c1cc(F)ccc1Br)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000638780413 565210868 /nfs/dbraw/zinc/21/08/68/565210868.db2.gz ZSAKQWKPHYSHKK-AWEZNQCLSA-N 1 0 385.277 2.819 20 0 GFADRO O=C(c1cc(-c2ccc(Br)cc2)no1)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000659313044 565211620 /nfs/dbraw/zinc/21/16/20/565211620.db2.gz CGMTYOILIUMMFC-SWLSCSKDSA-N 1 0 376.254 2.928 20 0 GFADRO COC[C@]1(CNC(=O)c2cc(-c3cccc(Br)c3)no2)CCC[NH2+]1 ZINC000659305947 565211719 /nfs/dbraw/zinc/21/17/19/565211719.db2.gz BSBDLABDFYZPIT-QGZVFWFLSA-N 1 0 394.269 2.603 20 0 GFADRO C[C@@H](CCc1ccc(I)cc1)[NH2+]C[C@@H]1CCCNC1=O ZINC000590971811 565211863 /nfs/dbraw/zinc/21/18/63/565211863.db2.gz NVPQKHLRXWWUSP-JSGCOSHPSA-N 1 0 386.277 2.728 20 0 GFADRO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)c2ccncc2Br)cc1 ZINC000659354174 565214385 /nfs/dbraw/zinc/21/43/85/565214385.db2.gz WLAOAZUNOBERER-YOEHRIQHSA-N 1 0 390.281 2.728 20 0 GFADRO CN(C)[C@@H](C[NH2+]Cc1cnn2cc(Br)cnc12)c1cccs1 ZINC000638862790 565215663 /nfs/dbraw/zinc/21/56/63/565215663.db2.gz JCWQDGKLYQVRMK-ZDUSSCGKSA-N 1 0 380.315 2.946 20 0 GFADRO O=C(C[C@@H]1CSCC[NH2+]1)Nc1cc(Cl)ccc1C(=O)[C@@H]1CCCOC1 ZINC000659386173 565216058 /nfs/dbraw/zinc/21/60/58/565216058.db2.gz MYZOSZQZCSZSKG-TZMCWYRMSA-N 1 0 382.913 2.983 20 0 GFADRO COc1cc(C(F)(F)F)ncc1NC(=O)N1C[C@@H]([NH+](C)C)[C@@H](SC)C1 ZINC000616900287 565216165 /nfs/dbraw/zinc/21/61/65/565216165.db2.gz USKAPGXYXDWPLK-PWSUYJOCSA-N 1 0 378.420 2.618 20 0 GFADRO [NH3+][C@@H]1CN(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3Cl)C2)CC[C@H]1F ZINC000659484574 565218425 /nfs/dbraw/zinc/21/84/25/565218425.db2.gz PBUJWUKOGKVTDL-IACUBPJLSA-N 1 0 375.275 2.653 20 0 GFADRO C[C@@H](NC(=O)N1CCOc2cc(Br)ccc2C1)[C@@H]1CCC[NH2+]C1 ZINC000659509722 565219388 /nfs/dbraw/zinc/21/93/88/565219388.db2.gz HXIOOJPBJITCNV-CHWSQXEVSA-N 1 0 382.302 2.741 20 0 GFADRO [NH3+]C1(CNC(=O)N2CCO[C@@H](c3cccc(Br)c3)C2)CCCC1 ZINC000659570579 565220111 /nfs/dbraw/zinc/22/01/11/565220111.db2.gz IFZPQKGFBFSVOL-OAHLLOKOSA-N 1 0 382.302 2.804 20 0 GFADRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N1CCOC[C@@H]1c1ccc(Br)cc1 ZINC000659536843 565220220 /nfs/dbraw/zinc/22/02/20/565220220.db2.gz OTRRVXCSERBQAH-DAXOMENPSA-N 1 0 382.302 2.530 20 0 GFADRO COCC1(CNC(=O)N2Cc3ccc(C)c(Br)c3C2)CC[NH2+]CC1 ZINC000659539995 565220496 /nfs/dbraw/zinc/22/04/96/565220496.db2.gz MJJJWMVNYAPPSR-UHFFFAOYSA-N 1 0 396.329 2.799 20 0 GFADRO [NH3+][C@H]1CC[C@H](NC(=O)[C@@H](c2ccc(Cl)cc2Cl)N2CCOCC2)CC1 ZINC000639043231 565221963 /nfs/dbraw/zinc/22/19/63/565221963.db2.gz RZESCPPRUCIISD-CKEIUWERSA-N 1 0 386.323 2.753 20 0 GFADRO CCOC(=O)c1c2c(sc1NC(=O)N[C@H]1CCC[NH2+]CC1)CSCC2 ZINC000591292326 565221900 /nfs/dbraw/zinc/22/19/00/565221900.db2.gz KIJUWWOSQKMJGI-NSHDSACASA-N 1 0 383.539 2.978 20 0 GFADRO COC(=O)c1cc(NC(=O)N[C@@H]2CC[C@H](C[NH3+])C2)c(Br)cc1F ZINC000591287305 565221936 /nfs/dbraw/zinc/22/19/36/565221936.db2.gz LGUOMWHQSBUQCW-DTWKUNHWSA-N 1 0 388.237 2.624 20 0 GFADRO C[C@H]([NH3+])CNC(=O)Nc1ccc(I)cc1Br ZINC000591288413 565222001 /nfs/dbraw/zinc/22/20/01/565222001.db2.gz HWWCUFKYTVGJMU-LURJTMIESA-N 1 0 398.042 2.522 20 0 GFADRO C[C@@H]([NH2+][C@H]1CCNC(=O)CC1)c1nc(-c2ccc(Br)cc2)no1 ZINC000639099971 565224326 /nfs/dbraw/zinc/22/43/26/565224326.db2.gz PVVDIZMDMSWGOA-ZWNOBZJWSA-N 1 0 379.258 2.818 20 0 GFADRO O=C1[C@@H]([NH2+]C2CC(n3cccn3)C2)CCN1c1cccc(Br)c1 ZINC000639111839 565225690 /nfs/dbraw/zinc/22/56/90/565225690.db2.gz ZVYPUHSSZYVFDB-BCLQGDPASA-N 1 0 375.270 2.744 20 0 GFADRO CO[C@@H](C[NH2+]C[C@H](CO)Cc1cccc(Br)c1)C1CCOCC1 ZINC000639105825 565225885 /nfs/dbraw/zinc/22/58/85/565225885.db2.gz RUTZJOBNJFOSPP-QAPCUYQASA-N 1 0 386.330 2.631 20 0 GFADRO CO[C@H](C[NH2+]C[C@H](CO)Cc1cccc(Br)c1)C1CCOCC1 ZINC000639105823 565226199 /nfs/dbraw/zinc/22/61/99/565226199.db2.gz RUTZJOBNJFOSPP-CRAIPNDOSA-N 1 0 386.330 2.631 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CN(C(=O)NCCSCc2ccc(Cl)cc2Cl)CCO1 ZINC000591356299 565227099 /nfs/dbraw/zinc/22/70/99/565227099.db2.gz NHEWTCIYFSDFHO-NHYWBVRUSA-N 1 0 392.352 2.984 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+]C[C@H](OCC2CC2)c2ccc(Cl)cc2)o1 ZINC000639156944 565230709 /nfs/dbraw/zinc/23/07/09/565230709.db2.gz JLUAZMKHZYUIAA-INIZCTEOSA-N 1 0 384.885 2.838 20 0 GFADRO COCCCN(Cc1cnn2cc(Br)cnc12)Cc1ccncc1 ZINC000639171944 565230800 /nfs/dbraw/zinc/23/08/00/565230800.db2.gz IFKUICJLAVDJHQ-UHFFFAOYSA-N 1 0 390.285 2.926 20 0 GFADRO OC[C@]1(C[NH2+]Cc2cnn3cc(Br)cnc23)C[C@H]1c1ccccc1 ZINC000639191747 565231887 /nfs/dbraw/zinc/23/18/87/565231887.db2.gz YNXCIIQOBVRNIZ-FUHWJXTLSA-N 1 0 387.281 2.748 20 0 GFADRO C[N@H+](C[C@@H](O)COc1ccc(C(F)(F)F)cc1)CC1(O)CCSCC1 ZINC000659922856 565232497 /nfs/dbraw/zinc/23/24/97/565232497.db2.gz OSXPQUCPUVYWLG-CQSZACIVSA-N 1 0 379.444 2.635 20 0 GFADRO CO[C@H](C[NH2+]CCCS(=O)(=O)c1ccc(Cl)cc1)C1CCOCC1 ZINC000639212336 565233030 /nfs/dbraw/zinc/23/30/30/565233030.db2.gz CVFKQCDMGGKWKV-QGZVFWFLSA-N 1 0 375.918 2.535 20 0 GFADRO COc1ccc(Br)cc1C[C@H](CO)C[NH2+]Cc1ccc(CO)cc1 ZINC000639238718 565234657 /nfs/dbraw/zinc/23/46/57/565234657.db2.gz VYLWRTJIHWQBPA-INIZCTEOSA-N 1 0 394.309 2.891 20 0 GFADRO [NH3+][C@H]1CCC[C@H](CNC(=O)c2c(F)cccc2I)C1 ZINC000591685068 565235875 /nfs/dbraw/zinc/23/58/75/565235875.db2.gz GOUFIJRQNBDHAX-UWVGGRQHSA-N 1 0 376.213 2.678 20 0 GFADRO COc1ccc(C[C@@H](CO)C[NH2+]CCCc2cnn(C)c2)cc1Br ZINC000639253282 565236200 /nfs/dbraw/zinc/23/62/00/565236200.db2.gz SDYCXKZMEXWNLT-MRXNPFEDSA-N 1 0 396.329 2.565 20 0 GFADRO Cc1csc(C(=O)N[C@H]2CC23CC[NH2+]CC3)c1I ZINC000591686001 565236239 /nfs/dbraw/zinc/23/62/39/565236239.db2.gz JBAGHUZYSRGFJH-VIFPVBQESA-N 1 0 376.263 2.533 20 0 GFADRO CN1CC[C@H]([NH2+]C[C@H]2CCCNC2=O)C[C@H]1c1ccc(Br)cc1 ZINC000639260445 565236477 /nfs/dbraw/zinc/23/64/77/565236477.db2.gz UTKKVQFBXXAECD-PVAVHDDUSA-N 1 0 380.330 2.700 20 0 GFADRO CCC[N@@H+]1CC[C@@H](NS(=O)(=O)c2cc(Cl)ccc2O[C@@H](C)COC)C1 ZINC000660026377 565240921 /nfs/dbraw/zinc/24/09/21/565240921.db2.gz FYOWGXBIZYWCNI-DZGCQCFKSA-N 1 0 390.933 2.516 20 0 GFADRO CC(C)[N@H+](C)C[C@H](O)CNC1(c2cccc(Br)c2)CCOCC1 ZINC000660036762 565242264 /nfs/dbraw/zinc/24/22/64/565242264.db2.gz NXNFPCKZNZBXFT-QGZVFWFLSA-N 1 0 385.346 2.746 20 0 GFADRO C[C@@](CO)(Cc1ccccc1F)[NH2+]Cc1cnn2cc(Br)cnc12 ZINC000639388282 565244244 /nfs/dbraw/zinc/24/42/44/565244244.db2.gz WXMUQAMKKQIECF-KRWDZBQOSA-N 1 0 393.260 2.714 20 0 GFADRO NC(=O)CCC1CC[NH+](C[C@@H](O)COc2cc(Cl)cc(Cl)c2)CC1 ZINC000639555082 565249742 /nfs/dbraw/zinc/24/97/42/565249742.db2.gz RNZKGSWAHFYAOF-OAHLLOKOSA-N 1 0 375.296 2.711 20 0 GFADRO O[C@H](COc1cc(Cl)cc(Cl)c1)C[N@@H+]1CCOCC2(CCOCC2)C1 ZINC000639578611 565251190 /nfs/dbraw/zinc/25/11/90/565251190.db2.gz YKFSAXBORDUFEJ-INIZCTEOSA-N 1 0 390.307 2.862 20 0 GFADRO C[C@H]([NH2+]C[C@H]1CCc2ncnn21)c1ccc(Br)cc1OCCCO ZINC000639653004 565253696 /nfs/dbraw/zinc/25/36/96/565253696.db2.gz YTCYLYZFJIDPSV-GXTWGEPZSA-N 1 0 395.301 2.640 20 0 GFADRO COCC[N@@H+]1CCC[C@@H](NC(=O)c2cc3c(cc(Br)cc3F)[nH]2)C1 ZINC000592097451 565255186 /nfs/dbraw/zinc/25/51/86/565255186.db2.gz VKNBJEUMKUIRJM-GFCCVEGCSA-N 1 0 398.276 2.910 20 0 GFADRO COCC[N@@H+]1CCC[C@H](NC(=O)C2(c3cccc(Br)c3)CC2)C1 ZINC000592095764 565255602 /nfs/dbraw/zinc/25/56/02/565255602.db2.gz KSTFJOKKDLFCFF-INIZCTEOSA-N 1 0 381.314 2.708 20 0 GFADRO O=c1cc([C@H]2CC[N@@H+](Cc3nc4cc(Br)ccc4o3)C2)[nH]c(=O)[nH]1 ZINC000639713497 565256366 /nfs/dbraw/zinc/25/63/66/565256366.db2.gz KAEQYTSQZQHLMB-VIFPVBQESA-N 1 0 391.225 2.781 20 0 GFADRO C[NH+](C)C[C@H]1COC2(CCCC2)CN1S(=O)(=O)c1c(F)cccc1Cl ZINC000660149114 565259488 /nfs/dbraw/zinc/25/94/88/565259488.db2.gz ADLRDBVGKKUYKB-ZDUSSCGKSA-N 1 0 390.908 2.743 20 0 GFADRO NC(=O)c1cccc(C[N@@H+]2CC[C@H](Oc3cncc(Br)c3)C2)c1 ZINC000639771471 565259577 /nfs/dbraw/zinc/25/95/77/565259577.db2.gz CHOUVDOEGLMXMR-HNNXBMFYSA-N 1 0 376.254 2.596 20 0 GFADRO C[NH+](C)C[C@@H]1COC2(CCCC2)CN1S(=O)(=O)c1ccc(F)cc1Cl ZINC000660150622 565260395 /nfs/dbraw/zinc/26/03/95/565260395.db2.gz KEQKIKCHSYUUFC-CQSZACIVSA-N 1 0 390.908 2.743 20 0 GFADRO O=S(=O)(NCC1CC[NH+](CC2CC2)CC1)c1cccnc1C(F)(F)F ZINC000660152314 565260468 /nfs/dbraw/zinc/26/04/68/565260468.db2.gz YFEMRWHJYWSDEB-UHFFFAOYSA-N 1 0 377.432 2.501 20 0 GFADRO C[N@H+](CC(=O)N[C@@]1(Cc2ccc(Cl)cc2)CCCOC1)[C@@H]1CCSC1 ZINC000617838451 565262760 /nfs/dbraw/zinc/26/27/60/565262760.db2.gz SEYKIHAJYLCMFO-IEBWSBKVSA-N 1 0 382.957 2.985 20 0 GFADRO O=S(=O)(NC[C@H]1CCC[N@H+](CC2CC2)C1)c1ccc(Br)s1 ZINC000660180446 565263927 /nfs/dbraw/zinc/26/39/27/565263927.db2.gz ZKXMOSYPNBIEBI-GFCCVEGCSA-N 1 0 393.372 2.911 20 0 GFADRO COC(=O)CN(CCc1ccc(Cl)cc1Cl)C(=O)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000592271539 565265911 /nfs/dbraw/zinc/26/59/11/565265911.db2.gz AUPQVKNCYAKAME-RDTXWAMCSA-N 1 0 385.291 2.537 20 0 GFADRO COc1cc(NC(=O)NC2CC[NH+](C3CCC3)CC2)ncc1Br ZINC000639962735 565270138 /nfs/dbraw/zinc/27/01/38/565270138.db2.gz OGIGREFWPZVRDR-UHFFFAOYSA-N 1 0 383.290 2.991 20 0 GFADRO COC(=O)c1cc(NC(=O)N[C@H](C)C[C@@H](C)[NH3+])c(Br)cc1F ZINC000592426810 565275359 /nfs/dbraw/zinc/27/53/59/565275359.db2.gz RFLHDGDSDIWFKN-HTQZYQBOSA-N 1 0 376.226 2.622 20 0 GFADRO CC(C)(C(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)c1cccc(Br)c1 ZINC000592411673 565275701 /nfs/dbraw/zinc/27/57/01/565275701.db2.gz ZZRRUYLGJFTCHB-SJORKVTESA-N 1 0 395.341 2.784 20 0 GFADRO O[C@H](COc1ccc(Cl)cc1Br)C[N@@H+]1C[C@@H]2C[C@H]1C[C@@H](O)C2 ZINC000640075620 565277193 /nfs/dbraw/zinc/27/71/93/565277193.db2.gz BPHBFWRWSNFBDQ-SAXRGWBVSA-N 1 0 390.705 2.687 20 0 GFADRO [NH3+]C[C@H]1CCCn2ncc(C(=O)N[C@H]3CCc4cc(Br)ccc43)c21 ZINC000592501833 565279841 /nfs/dbraw/zinc/27/98/41/565279841.db2.gz OBJMTMYGNWQAFC-WBMJQRKESA-N 1 0 389.297 2.899 20 0 GFADRO C[NH+]1CCC2(CC1)CN(Cc1cccc(I)c1)CCO2 ZINC000592527074 565280994 /nfs/dbraw/zinc/28/09/94/565280994.db2.gz KLSMXROLIFXTDL-UHFFFAOYSA-N 1 0 386.277 2.588 20 0 GFADRO COC(=O)[C@H]1C[NH2+]CCCN1C(=O)c1cc(SC)c(Cl)cc1Cl ZINC000592550652 565282181 /nfs/dbraw/zinc/28/21/81/565282181.db2.gz AZKCKGREUOQFJP-GFCCVEGCSA-N 1 0 377.293 2.692 20 0 GFADRO COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)CCCCc1ccc(Br)cc1 ZINC000592554921 565282196 /nfs/dbraw/zinc/28/21/96/565282196.db2.gz VGYKHWBYSLDAMB-INIZCTEOSA-N 1 0 397.313 2.525 20 0 GFADRO C[C@H](CCc1ccc(I)cc1)CC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000592554615 565282517 /nfs/dbraw/zinc/28/25/17/565282517.db2.gz JPMOHLSNDYISHW-LCSDZXHASA-N 1 0 398.288 2.584 20 0 GFADRO C[N@H+](CCCO)C1CCN(C(=O)Nc2cscc2Br)CC1 ZINC000640188675 565286710 /nfs/dbraw/zinc/28/67/10/565286710.db2.gz CFZIVTLDDYSOFE-UHFFFAOYSA-N 1 0 376.320 2.821 20 0 GFADRO OC[C@]1([C@@H]([NH2+]Cc2ncc(Br)cc2Cl)C2CC2)CCCO1 ZINC000660647976 565286986 /nfs/dbraw/zinc/28/69/86/565286986.db2.gz VMTDMSOFIFVKBE-GJZGRUSLSA-N 1 0 375.694 2.907 20 0 GFADRO C[C@H](C[NH+]1CCOCC1)C(=O)N[C@H]1CSCc2ccc(Br)cc21 ZINC000618361260 565292824 /nfs/dbraw/zinc/29/28/24/565292824.db2.gz IQYGSJJVOBUWEK-WBMJQRKESA-N 1 0 399.354 2.822 20 0 GFADRO OCC1([NH2+]CC2CC2)CCN(Cc2ncc(Br)cc2Cl)CC1 ZINC000660760192 565293373 /nfs/dbraw/zinc/29/33/73/565293373.db2.gz NEGAOYALRKEPMF-UHFFFAOYSA-N 1 0 388.737 2.824 20 0 GFADRO Cn1cc(Br)c(NC(=O)N2CCC(CCC[NH+]3CCCC3)CC2)n1 ZINC000640311957 565300220 /nfs/dbraw/zinc/30/02/20/565300220.db2.gz VYAVNWVZMPTTAC-UHFFFAOYSA-N 1 0 398.349 3.303 20 0 GFADRO Cc1ccccc1[C@H]([C@H](C)NC(=O)Nc1nn(C)cc1Br)[NH+](C)C ZINC000640314735 565301061 /nfs/dbraw/zinc/30/10/61/565301061.db2.gz JOHRXHNQQIYAOV-WFASDCNBSA-N 1 0 394.317 3.304 20 0 GFADRO C[C@@H](C[NH+]1CCCCC1)NC(=O)Nc1nnc(C(F)(F)C(F)(F)F)s1 ZINC000640383660 565303704 /nfs/dbraw/zinc/30/37/04/565303704.db2.gz NHURDRKKBDLESW-QMMMGPOBSA-N 1 0 387.378 3.188 20 0 GFADRO Cc1ccc(Br)cc1CNC(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000661051561 565303715 /nfs/dbraw/zinc/30/37/15/565303715.db2.gz OJBLZIYCLWNANS-KRWDZBQOSA-N 1 0 396.329 2.810 20 0 GFADRO CCC(CC)[C@@H](CNS(=O)(=O)c1ccc([C@@H](C)NC(C)=O)s1)[NH+](C)C ZINC000618540093 565305480 /nfs/dbraw/zinc/30/54/80/565305480.db2.gz SSJMPFAZRWSMQA-IUODEOHRSA-N 1 0 389.587 2.590 20 0 GFADRO COC(=O)[C@@H]1C[N@H+](C[C@@H](O)COc2ccc(Cl)cc2Cl)C[C@H]1C1CC1 ZINC000593126850 565315453 /nfs/dbraw/zinc/31/54/53/565315453.db2.gz QBLXYWDJSGBVAI-QLFBSQMISA-N 1 0 388.291 2.864 20 0 GFADRO C[C@H](CO)[C@@H]1CCCC[N@@H+]1CC(=O)N(C)Cc1ccccc1Br ZINC000661430968 565323708 /nfs/dbraw/zinc/32/37/08/565323708.db2.gz AMMVITXLVQTWEQ-PBHICJAKSA-N 1 0 383.330 2.890 20 0 GFADRO O=C(Cn1cc(CC[NH+]2CCCCC2)nn1)Nc1ccccc1Br ZINC000640770759 565325242 /nfs/dbraw/zinc/32/52/42/565325242.db2.gz UQCHKFYYSPZZRQ-UHFFFAOYSA-N 1 0 392.301 2.708 20 0 GFADRO C[NH+](C)CCc1cn(CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)nn1 ZINC000640760637 565325673 /nfs/dbraw/zinc/32/56/73/565325673.db2.gz IBGVYKXRODQFSW-UHFFFAOYSA-N 1 0 375.782 2.693 20 0 GFADRO [NH3+][C@@H](c1cn(CC(=O)Nc2ccc(Cl)c(Cl)c2)nn1)C1CCOCC1 ZINC000640761318 565325868 /nfs/dbraw/zinc/32/58/68/565325868.db2.gz XTHKVAWGOGISOR-MRXNPFEDSA-N 1 0 384.267 2.650 20 0 GFADRO O=C(Cn1cc(C[NH2+]C2CCCC2)nn1)Nc1ccccc1Br ZINC000640769840 565325875 /nfs/dbraw/zinc/32/58/75/565325875.db2.gz MEJWGNGRTDTZDU-UHFFFAOYSA-N 1 0 378.274 2.712 20 0 GFADRO COCC[NH2+]CCc1cn([C@H](C)C(=O)Nc2cccc(Cl)c2Cl)nn1 ZINC000640780278 565326535 /nfs/dbraw/zinc/32/65/35/565326535.db2.gz GEEPQECEDZVORN-LLVKDONJSA-N 1 0 386.283 2.563 20 0 GFADRO O=C(CC[NH+]1CCN(c2ccc(Br)cc2)CC1)N1CCCCC1 ZINC000661576155 565329207 /nfs/dbraw/zinc/32/92/07/565329207.db2.gz GIPGHRBYHJDJOR-UHFFFAOYSA-N 1 0 380.330 2.974 20 0 GFADRO C[C@@H](NC(=O)Cn1cc([C@H]2CCC[NH2+]C2)nn1)c1ccc(Cl)c(Cl)c1 ZINC000640848527 565331443 /nfs/dbraw/zinc/33/14/43/565331443.db2.gz QOYNTAYVAKOFJY-YPMHNXCESA-N 1 0 382.295 2.929 20 0 GFADRO C[C@H](NC(=O)Cn1cc([C@@H]2CCC[NH2+]C2)nn1)c1ccc(Cl)c(Cl)c1 ZINC000640848526 565331485 /nfs/dbraw/zinc/33/14/85/565331485.db2.gz QOYNTAYVAKOFJY-WCQYABFASA-N 1 0 382.295 2.929 20 0 GFADRO C[C@@H]1C[NH+](C[C@H](O)COc2ccc(Cl)cc2Br)C[C@@H](C)C1O ZINC000661631030 565331851 /nfs/dbraw/zinc/33/18/51/565331851.db2.gz MQGITRWUUMFXSS-WZRBSPASSA-N 1 0 392.721 2.791 20 0 GFADRO C[C@H](C(=O)Nc1ccccc1Br)n1cc(C[C@H]2CCC[NH2+]C2)nn1 ZINC000640902031 565336007 /nfs/dbraw/zinc/33/60/07/565336007.db2.gz VTGCLUBTOVQIJY-CHWSQXEVSA-N 1 0 392.301 2.782 20 0 GFADRO CC(C)c1noc(Cn2cc([C@@H]([NH3+])c3ccc(Br)cc3)nn2)n1 ZINC000640929514 565337459 /nfs/dbraw/zinc/33/74/59/565337459.db2.gz OBMOPOZBZANVQJ-AWEZNQCLSA-N 1 0 377.246 2.643 20 0 GFADRO COC[C@@H]([NH3+])Cc1cn(Cc2csc(Cc3ccc(Cl)cc3)n2)nn1 ZINC000640949608 565338484 /nfs/dbraw/zinc/33/84/84/565338484.db2.gz VWQPRXIQFQYASO-AWEZNQCLSA-N 1 0 377.901 2.543 20 0 GFADRO [NH3+]CCCc1cn(CC(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)nn1 ZINC000640999266 565341044 /nfs/dbraw/zinc/34/10/44/565341044.db2.gz HZBGPPIJBYTJKT-MRXNPFEDSA-N 1 0 382.295 2.840 20 0 GFADRO Ic1ccc(CN2CCC[C@@H]2C[NH2+]Cc2cn[nH]c2)cc1 ZINC000619434380 565341039 /nfs/dbraw/zinc/34/10/39/565341039.db2.gz FUVIUJLKEWBSMB-MRXNPFEDSA-N 1 0 396.276 2.769 20 0 GFADRO O=C(N[C@H](CO)c1ccc(Cl)cc1C(F)(F)F)N[C@H]1CCC[NH2+]CC1 ZINC000641041469 565342255 /nfs/dbraw/zinc/34/22/55/565342255.db2.gz CKUHWBBKWWZWNN-SMDDNHRTSA-N 1 0 379.810 2.834 20 0 GFADRO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)N[C@H](CO)c1cccc(Br)c1 ZINC000661902434 565342742 /nfs/dbraw/zinc/34/27/42/565342742.db2.gz SKGQRIBSPSXFNG-RHSMWYFYSA-N 1 0 398.345 2.902 20 0 GFADRO [NH3+][C@@H](c1cn(Cc2ccc(Br)c3cccnc23)nn1)[C@@H]1CCCO1 ZINC000641156635 565349983 /nfs/dbraw/zinc/34/99/83/565349983.db2.gz CGHSWSOYXKVMAH-HOTGVXAUSA-N 1 0 388.269 2.816 20 0 GFADRO CC(C)NC(=O)[C@@H]1CCC[N@H+](C[C@@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000662116053 565351212 /nfs/dbraw/zinc/35/12/12/565351212.db2.gz XWLSWVHNPFDICJ-UKRRQHHQSA-N 1 0 389.323 2.970 20 0 GFADRO COCC[C@@H]([NH3+])Cc1cn(Cc2ccc(Br)c3cccnc23)nn1 ZINC000641156904 565351288 /nfs/dbraw/zinc/35/12/88/565351288.db2.gz IJGXZDSLNJVEPJ-CYBMUJFWSA-N 1 0 390.285 2.543 20 0 GFADRO CC[C@H](c1ccc(Br)cc1)N1CCN(C[C@H]2C[NH2+]CCO2)CC1 ZINC000662262232 565357250 /nfs/dbraw/zinc/35/72/50/565357250.db2.gz UJCYJJHVMZHGLN-QZTJIDSGSA-N 1 0 382.346 2.506 20 0 GFADRO OC[C@H](CCF)[NH2+][C@H]1CCCOc2ccc(I)cc21 ZINC000593718330 565358451 /nfs/dbraw/zinc/35/84/51/565358451.db2.gz FCIPYDTZVNUXBE-AAEUAGOBSA-N 1 0 379.213 2.815 20 0 GFADRO COC(=O)c1cc(Cl)c(C)c(S(=O)(=O)N2CCC[C@@H](C)[C@@H]2CC[NH3+])c1 ZINC000593733738 565358483 /nfs/dbraw/zinc/35/84/83/565358483.db2.gz INOCJUNSMHGWJW-ABAIWWIYSA-N 1 0 388.917 2.573 20 0 GFADRO COC(=O)c1cc(F)c(Br)cc1NC(=O)NCCC1(C[NH3+])CC1 ZINC000593763858 565359717 /nfs/dbraw/zinc/35/97/17/565359717.db2.gz QVYFCUWWSNHCBR-UHFFFAOYSA-N 1 0 388.237 2.625 20 0 GFADRO CCC[N@@H+]1CC[C@@H](NC(=O)c2ccn(-c3cccc(Br)c3)n2)C1 ZINC000619897908 565361724 /nfs/dbraw/zinc/36/17/24/565361724.db2.gz FYYGZEDEUIDYQU-CQSZACIVSA-N 1 0 377.286 2.849 20 0 GFADRO CCC[N@@H+]1CC[C@H](NC(=O)[C@@]23CCC(=O)N2c2cc(Cl)ccc2S3)C1 ZINC000619895527 565362120 /nfs/dbraw/zinc/36/21/20/565362120.db2.gz UNOHEPDBQIWNFN-UGSOOPFHSA-N 1 0 379.913 2.869 20 0 GFADRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1sc2c(c1Br)CNC2 ZINC000662403446 565365866 /nfs/dbraw/zinc/36/58/66/565365866.db2.gz MCRSTTYAEQQYAO-GHMZBOCLSA-N 1 0 386.359 2.964 20 0 GFADRO CN(CC[NH+]1CCCCC1)C(=O)c1ccc(F)c(I)c1 ZINC000593882395 565365931 /nfs/dbraw/zinc/36/59/31/565365931.db2.gz FPGWJBUXOOXAHJ-UHFFFAOYSA-N 1 0 390.240 2.988 20 0 GFADRO [NH3+]C[C@H]1CCN(C(=O)Cc2ccc(Br)c(Br)c2)C1 ZINC000662407178 565365972 /nfs/dbraw/zinc/36/59/72/565365972.db2.gz UUEALQKWDXPORO-SNVBAGLBSA-N 1 0 376.092 2.561 20 0 GFADRO C[C@@H]1CN(C(=O)Cc2ccc(Br)c(Br)c2)CC[NH2+]1 ZINC000662419261 565366053 /nfs/dbraw/zinc/36/60/53/565366053.db2.gz XLCZLXAWNJLNEE-SECBINFHSA-N 1 0 376.092 2.574 20 0 GFADRO C[C@H]1CCCN(C(=O)Cc2cccc(I)c2)[C@@H]1CC[NH3+] ZINC000593914235 565367320 /nfs/dbraw/zinc/36/73/20/565367320.db2.gz BNNUWBLIFDWXGR-SWLSCSKDSA-N 1 0 386.277 2.810 20 0 GFADRO Cc1csc(C(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)c1I ZINC000593913866 565367533 /nfs/dbraw/zinc/36/75/33/565367533.db2.gz XQQDDGIJUQDODX-HZMBPMFUSA-N 1 0 390.290 2.862 20 0 GFADRO CC(C)(CNC(=O)c1c[nH]nc1[C@@H]1CC[NH2+]C1)c1cccc(Br)c1 ZINC000662437155 565367604 /nfs/dbraw/zinc/36/76/04/565367604.db2.gz MZUQHNPPEUUJFE-GFCCVEGCSA-N 1 0 391.313 2.957 20 0 GFADRO Cc1ccc(I)c(C(=O)N2CC3CCC2(C[NH3+])CC3)c1 ZINC000593907548 565367850 /nfs/dbraw/zinc/36/78/50/565367850.db2.gz WRACVZXJVFQIOI-UHFFFAOYSA-N 1 0 384.261 2.943 20 0 GFADRO CC1(C)C[NH2+]CCN1C(=O)CCC[S@@](=O)c1ccc(Br)cc1 ZINC000593931707 565368552 /nfs/dbraw/zinc/36/85/52/565368552.db2.gz PYIBLJHRBKQXEY-JOCHJYFZSA-N 1 0 387.343 2.547 20 0 GFADRO Cc1ccc(NC(=O)c2cn([C@H]3CCC[NH2+]CC3)nn2)cc1Br ZINC000662463863 565370140 /nfs/dbraw/zinc/37/01/40/565370140.db2.gz ACIPGAHYZVGKDG-ZDUSSCGKSA-N 1 0 378.274 2.916 20 0 GFADRO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2sc3c(c2Br)CNC3)C1 ZINC000662485576 565370850 /nfs/dbraw/zinc/37/08/50/565370850.db2.gz QLKQSRLDULROAW-LLVKDONJSA-N 1 0 386.359 2.918 20 0 GFADRO N[C@@H](C(=O)N1CC[C@H](C[NH+]2CCCCC2)C1)c1ccccc1Br ZINC000662477970 565371348 /nfs/dbraw/zinc/37/13/48/565371348.db2.gz KOHCBDPKHVJSRJ-RHSMWYFYSA-N 1 0 380.330 2.783 20 0 GFADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3sc4c(c3Br)CNC4)CC[C@@H]21 ZINC000662502157 565372901 /nfs/dbraw/zinc/37/29/01/565372901.db2.gz JSOGNIDOOQMVKG-PWSUYJOCSA-N 1 0 384.343 2.670 20 0 GFADRO O=C(c1cc(-c2cccc(Br)c2)no1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000662521575 565373905 /nfs/dbraw/zinc/37/39/05/565373905.db2.gz QWZWKOHMWYLHLN-GXTWGEPZSA-N 1 0 376.254 2.928 20 0 GFADRO CC1(C)CC[NH2+][C@H]1C(=O)N1CCN(C(=O)c2c(Cl)cccc2Cl)CC1 ZINC000662524512 565374606 /nfs/dbraw/zinc/37/46/06/565374606.db2.gz XPSKLCCCUXLTDC-HNNXBMFYSA-N 1 0 384.307 2.666 20 0 GFADRO CCCNC(=O)c1ccc(NC(=O)[C@]2(C(F)(F)F)CC[NH2+]C2)cc1Cl ZINC000662528718 565375261 /nfs/dbraw/zinc/37/52/61/565375261.db2.gz WESZRBIOLZNJGI-HNNXBMFYSA-N 1 0 377.794 2.960 20 0 GFADRO O=C(Cc1ccccc1I)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000594197530 565378165 /nfs/dbraw/zinc/37/81/65/565378165.db2.gz OYZWUKNBEYDEOB-HZPDHXFCSA-N 1 0 398.288 2.967 20 0 GFADRO CNc1cc(I)ccc1C(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000594289224 565381186 /nfs/dbraw/zinc/38/11/86/565381186.db2.gz KPCQSOILAMLNQY-CYBMUJFWSA-N 1 0 399.276 2.642 20 0 GFADRO CC1(C)CC[NH2+][C@@H]1C(=O)NC[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000662692036 565381543 /nfs/dbraw/zinc/38/15/43/565381543.db2.gz MISRXLDRHHWHCS-XJKSGUPXSA-N 1 0 380.330 2.780 20 0 GFADRO CC1(C)[C@@H]2OCCC[C@H]2[C@@]1([NH3+])C(=O)N1CCc2sc(Br)cc2C1 ZINC000662690158 565382075 /nfs/dbraw/zinc/38/20/75/565382075.db2.gz ZSJSAAKECACPNU-JDSLSITLSA-N 1 0 399.354 2.928 20 0 GFADRO C[NH2+]CCCC(=O)N1CCC(NC(=O)Cc2cccc(Cl)c2Cl)CC1 ZINC000662743204 565383465 /nfs/dbraw/zinc/38/34/65/565383465.db2.gz LDSBIRIYTBJWLR-UHFFFAOYSA-N 1 0 386.323 2.643 20 0 GFADRO CC[C@H]([NH3+])C(=O)N1CCc2cc(Br)c(Br)cc2C1 ZINC000662737405 565383597 /nfs/dbraw/zinc/38/35/97/565383597.db2.gz YPBZDWRTRITCQZ-LBPRGKRZSA-N 1 0 376.092 2.834 20 0 GFADRO C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)Cc1ccc(Br)c(Br)c1 ZINC000662772214 565385042 /nfs/dbraw/zinc/38/50/42/565385042.db2.gz DDCGYUTXRTUDFI-VHSXEESVSA-N 1 0 390.119 2.963 20 0 GFADRO O=C(c1cc2cc(Br)ccc2o1)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000620487079 565385820 /nfs/dbraw/zinc/38/58/20/565385820.db2.gz QUSJFWCJJHYQLR-HNNXBMFYSA-N 1 0 393.281 2.867 20 0 GFADRO CC(C)(C)n1cc(Br)c(C(=O)NCc2ccc(C[NH3+])cc2F)n1 ZINC000662830530 565387077 /nfs/dbraw/zinc/38/70/77/565387077.db2.gz SYYKACRWFYZCAQ-UHFFFAOYSA-N 1 0 383.265 2.928 20 0 GFADRO [NH3+]Cc1ccc(CNC(=O)[C@@H]2CCO[C@H]2c2cncc(Br)c2)cc1 ZINC000662823478 565387130 /nfs/dbraw/zinc/38/71/30/565387130.db2.gz QCZXOTNQGMVCIV-SJORKVTESA-N 1 0 390.281 2.697 20 0 GFADRO Cc1c(C[NH3+])c(NC(=O)[C@H](C)Oc2ccc(C)cc2Br)nn1C ZINC000662840549 565387585 /nfs/dbraw/zinc/38/75/85/565387585.db2.gz DFOJIWPCADVMNA-NSHDSACASA-N 1 0 381.274 2.664 20 0 GFADRO O=C(Nc1ccc(F)c(Br)c1F)C1(n2cccn2)CC[NH2+]CC1 ZINC000662921421 565389765 /nfs/dbraw/zinc/38/97/65/565389765.db2.gz NJXNWLMLKAPABV-UHFFFAOYSA-N 1 0 385.212 2.641 20 0 GFADRO C[NH2+]C[C@@H](C)NC(=O)c1cccc(NC(=O)c2ccc(Br)o2)c1 ZINC000662959615 565390807 /nfs/dbraw/zinc/39/08/07/565390807.db2.gz JZTUFIIYGPPKAW-SNVBAGLBSA-N 1 0 380.242 2.632 20 0 GFADRO C[C@@]([NH3+])(C(=O)N1CCO[C@@](C)(C(F)F)C1)c1ccc(Br)cc1 ZINC000663001736 565391968 /nfs/dbraw/zinc/39/19/68/565391968.db2.gz IZZIKCGPLGMNPA-CABCVRRESA-N 1 0 377.229 2.506 20 0 GFADRO Cc1[nH]c(=O)c(Br)cc1C(=O)NC[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000620781257 565396237 /nfs/dbraw/zinc/39/62/37/565396237.db2.gz LRCKHXSTHZYXTB-AWEZNQCLSA-N 1 0 390.281 2.862 20 0 GFADRO CN1CC[N@H+](C)C[C@@H]1CNCc1cc(Br)sc1Br ZINC000641720168 565396620 /nfs/dbraw/zinc/39/66/20/565396620.db2.gz DNFXTKJMGAWQJZ-JTQLQIEISA-N 1 0 397.180 2.609 20 0 GFADRO O=c1[nH]c2ccc(C[NH2+]C[C@@H](CO)Cc3ccccc3Br)cc2[nH]1 ZINC000641761419 565397288 /nfs/dbraw/zinc/39/72/88/565397288.db2.gz IEJDFUQSXWEJPX-ZDUSSCGKSA-N 1 0 390.281 2.972 20 0 GFADRO CCOC(=O)c1sc2ccsc2c1CNC(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000594525805 565398233 /nfs/dbraw/zinc/39/82/33/565398233.db2.gz VQNULRSERNVFHA-VIFPVBQESA-N 1 0 395.428 2.828 20 0 GFADRO Cc1cc(Br)ccc1[C@H](C)[NH2+]C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000641776775 565398758 /nfs/dbraw/zinc/39/87/58/565398758.db2.gz CIFNDRRQVABAIF-QWHCGFSZSA-N 1 0 375.332 2.690 20 0 GFADRO C[NH+](C)CCC[C@@H]1CN(C(=O)COc2ccc(Cl)cc2Cl)CCO1 ZINC000620960693 565401929 /nfs/dbraw/zinc/40/19/29/565401929.db2.gz TZAQOWGFTLROPR-CQSZACIVSA-N 1 0 375.296 2.941 20 0 GFADRO Cn1cc(Br)cc1C(=O)N1CC2(CCCC2)OC[C@H]1C[NH+](C)C ZINC000620915056 565402410 /nfs/dbraw/zinc/40/24/10/565402410.db2.gz ZEGFULZFXNRGEE-CQSZACIVSA-N 1 0 384.318 2.503 20 0 GFADRO C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000594642126 565402913 /nfs/dbraw/zinc/40/29/13/565402913.db2.gz KSXJHXMKRBTDCN-WCQYABFASA-N 1 0 384.307 2.712 20 0 GFADRO C[C@@H](Oc1ccc(F)cc1Br)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000594649659 565403181 /nfs/dbraw/zinc/40/31/81/565403181.db2.gz ZNMXWGBVFHLYDP-BXUZGUMPSA-N 1 0 385.277 2.956 20 0 GFADRO COc1ccc(C(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)c(Br)c1 ZINC000620967055 565403187 /nfs/dbraw/zinc/40/31/87/565403187.db2.gz OLFOPIKACWXVLT-AWEZNQCLSA-N 1 0 385.302 2.641 20 0 GFADRO O=C(NC[C@@H]1CCC[N@H+](CC2CC2)C1)C(=O)c1ccc(Br)cc1 ZINC000621104745 565406349 /nfs/dbraw/zinc/40/63/49/565406349.db2.gz DGJVZOVDBNARNZ-AWEZNQCLSA-N 1 0 379.298 2.870 20 0 GFADRO CC(C)[C@H]1CN(C(=O)c2cn(Cc3ccc(Cl)cc3Cl)nn2)CC[NH2+]1 ZINC000621160252 565408422 /nfs/dbraw/zinc/40/84/22/565408422.db2.gz ATMKGYUFBKNUHW-OAHLLOKOSA-N 1 0 382.295 2.703 20 0 GFADRO CN([C@H](C[NH3+])C(F)(F)F)S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000663311633 565411145 /nfs/dbraw/zinc/41/11/45/565411145.db2.gz OPQGDGAQZLJNIO-SNVBAGLBSA-N 1 0 399.847 2.974 20 0 GFADRO CN([C@@H](C[NH3+])C(F)(F)F)S(=O)(=O)c1ccc(Br)cc1Cl ZINC000663309180 565411353 /nfs/dbraw/zinc/41/13/53/565411353.db2.gz AKPKQBHSVGFGOI-VIFPVBQESA-N 1 0 395.628 2.613 20 0 GFADRO C[C@@H](NC1CC[NH+]([C@H]2CCOC2)CC1)C(=O)Nc1ccccc1Br ZINC000663304411 565411362 /nfs/dbraw/zinc/41/13/62/565411362.db2.gz QGBNIWBMXUFWQS-HIFRSBDPSA-N 1 0 396.329 2.619 20 0 GFADRO COc1cc(CN2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)c(Br)cn1 ZINC000621269461 565413407 /nfs/dbraw/zinc/41/34/07/565413407.db2.gz VVJJKZJIGXRFKL-FVQBIDKESA-N 1 0 384.318 2.536 20 0 GFADRO CC(C)C(=O)NC1CC[NH+](C[C@@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000642624622 565416141 /nfs/dbraw/zinc/41/61/41/565416141.db2.gz VHXZDQCQGSPVKN-CQSZACIVSA-N 1 0 389.323 2.970 20 0 GFADRO C[C@H](O)[C@@H]([NH2+]C[C@@H](O)COc1cccc(Br)c1)c1ccccc1 ZINC000663376731 565416884 /nfs/dbraw/zinc/41/68/84/565416884.db2.gz UOKSHGRKBVFLBY-FDQGKXFDSA-N 1 0 380.282 2.901 20 0 GFADRO C[C@@H](CNc1cc(Br)cnn1)[NH+]1CCN(c2ccccc2)CC1 ZINC000663389579 565418205 /nfs/dbraw/zinc/41/82/05/565418205.db2.gz MTZGJILGAWOPMT-AWEZNQCLSA-N 1 0 376.302 2.862 20 0 GFADRO Brc1ccc2nnc(N3CC[NH+](CCc4cccs4)CC3)n2c1 ZINC000663417320 565418737 /nfs/dbraw/zinc/41/87/37/565418737.db2.gz HOBUAZGNJGQAQV-UHFFFAOYSA-N 1 0 392.326 2.918 20 0 GFADRO C[NH+]1CCC(NC(=O)N2CCOC[C@@H]2c2ccc(Br)cc2)CC1 ZINC000663445135 565421405 /nfs/dbraw/zinc/42/14/05/565421405.db2.gz GWMFLWZUMNGZSX-MRXNPFEDSA-N 1 0 382.302 2.626 20 0 GFADRO C[C@H]([NH2+]CCn1ccccc1=O)c1ccc(Br)cc1OCCCO ZINC000643404780 565432197 /nfs/dbraw/zinc/43/21/97/565432197.db2.gz FXNOXXWOOHYBGY-AWEZNQCLSA-N 1 0 395.297 2.723 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)CC[C@@H]1CCC[NH2+]C1 ZINC000621624964 565433205 /nfs/dbraw/zinc/43/32/05/565433205.db2.gz CPJTUMNSTOAPOZ-AWEZNQCLSA-N 1 0 396.329 2.934 20 0 GFADRO C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000643486300 565434377 /nfs/dbraw/zinc/43/43/77/565434377.db2.gz MZWNLRZTVDBJGM-HSMVNMDESA-N 1 0 384.307 2.723 20 0 GFADRO COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]CCC(=O)Nc1cc(Br)ccc1C ZINC000594927093 565436005 /nfs/dbraw/zinc/43/60/05/565436005.db2.gz UKRPOXBEZJXUFL-MRVWCRGKSA-N 1 0 383.286 2.873 20 0 GFADRO Cc1c(C(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)cnn1-c1cccc(Br)c1 ZINC000621689111 565437098 /nfs/dbraw/zinc/43/70/98/565437098.db2.gz CNSAOHADUCYKGW-SCLBCKFNSA-N 1 0 389.297 2.897 20 0 GFADRO CO[C@@H](C[NH2+]Cc1ccc(F)cc1I)[C@@H]1CCOC1 ZINC000594949632 565437550 /nfs/dbraw/zinc/43/75/50/565437550.db2.gz FMYWORXJONLLTL-RISCZKNCSA-N 1 0 379.213 2.571 20 0 GFADRO Cc1cc(CN2C[C@@H](F)C[C@H]2CN(C)c2cc(Br)cnn2)on1 ZINC000663828864 565438432 /nfs/dbraw/zinc/43/84/32/565438432.db2.gz AAPCTVVCBYFLDP-STQMWFEESA-N 1 0 384.253 2.584 20 0 GFADRO CCS(=O)(=O)c1c(Cl)cccc1C[NH2+][C@@H]1CCC[C@H]([S@](C)=O)C1 ZINC000594964831 565438657 /nfs/dbraw/zinc/43/86/57/565438657.db2.gz GPZVFINLZSJNRO-QLEMLULZSA-N 1 0 377.959 2.913 20 0 GFADRO O=C(NCC(F)(F)c1ccc(Br)cc1)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000621850818 565445176 /nfs/dbraw/zinc/44/51/76/565445176.db2.gz DZLUWUWSRLRIHB-FZMZJTMJSA-N 1 0 388.256 2.934 20 0 GFADRO Brc1c(NCC2=CCOCC2)ncnc1NCC1=CCOCC1 ZINC000663952530 565445290 /nfs/dbraw/zinc/44/52/90/565445290.db2.gz LPAYWAXRXKKXBY-UHFFFAOYSA-N 1 0 381.274 2.756 20 0 GFADRO CN1CCO[C@H]([C@H]([NH2+][C@@H]2CCC[C@H]([S@](C)=O)C2)c2ccc(Cl)cc2)C1 ZINC000595070612 565446830 /nfs/dbraw/zinc/44/68/30/565446830.db2.gz NLRHSYYNTSSNOV-IQUKFYJJSA-N 1 0 384.973 2.991 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCC[C@H]([S@@](C)=O)C1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000595070955 565447285 /nfs/dbraw/zinc/44/72/85/565447285.db2.gz PMWHIVDOPYZJKY-BCWWEUGJSA-N 1 0 384.567 2.567 20 0 GFADRO COc1c(Cl)cc(NC(=O)C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)cc1Cl ZINC000595115767 565448887 /nfs/dbraw/zinc/44/88/87/565448887.db2.gz WFPVWEUJTGQXID-NSHDSACASA-N 1 0 386.279 2.541 20 0 GFADRO C[NH+]1CCC([C@H]2CCN(C(=O)c3cc4c(cc3Br)OCO4)C2)CC1 ZINC000621931976 565449941 /nfs/dbraw/zinc/44/99/41/565449941.db2.gz PKDNFXBDDDONKU-ZDUSSCGKSA-N 1 0 395.297 2.982 20 0 GFADRO C[C@H](CCNC(=O)N[C@H]1CCN(c2ccccc2Br)C1)[NH+](C)C ZINC000664084686 565452466 /nfs/dbraw/zinc/45/24/66/565452466.db2.gz ADZDCFSXYMPXKG-KGLIPLIRSA-N 1 0 383.334 2.667 20 0 GFADRO CC1(C)C[NH2+][C@H]1C(=O)NCC1(c2cccc(Br)c2)CCOCC1 ZINC000643989021 565453859 /nfs/dbraw/zinc/45/38/59/565453859.db2.gz OUYIZXWVANFOIX-HNNXBMFYSA-N 1 0 381.314 2.612 20 0 GFADRO [NH3+][C@]12CCC[C@@H]1CN(Cc1ccc(Br)cc1N1CCOCC1)C2 ZINC000622004624 565454705 /nfs/dbraw/zinc/45/47/05/565454705.db2.gz RILAPISAOIECNA-QAPCUYQASA-N 1 0 380.330 2.599 20 0 GFADRO [NH3+][C@]12CCC[C@H]1CN(S(=O)(=O)c1cc(Br)ccc1Cl)C2 ZINC000622012825 565455274 /nfs/dbraw/zinc/45/52/74/565455274.db2.gz GPUWXSGFIADABC-ZANVPECISA-N 1 0 379.707 2.604 20 0 GFADRO O=C(C[NH2+]C[C@@H]1CCCO1)N[C@H]1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000644046622 565455935 /nfs/dbraw/zinc/45/59/35/565455935.db2.gz SRZSUKGVLJFJPX-QCNOEVLYSA-N 1 0 376.341 2.781 20 0 GFADRO CN(CC(C)(C)[NH3+])C(=O)Nc1cc(F)c(I)c(F)c1 ZINC000595229956 565456917 /nfs/dbraw/zinc/45/69/17/565456917.db2.gz UBLNWLOEHYRWQK-UHFFFAOYSA-N 1 0 383.180 2.770 20 0 GFADRO [NH3+]CC12CC(C1)CN2C(=O)Nc1ccc(Cl)cc1I ZINC000595235978 565456931 /nfs/dbraw/zinc/45/69/31/565456931.db2.gz MDOIBBVUSNARAA-UHFFFAOYSA-N 1 0 391.640 2.900 20 0 GFADRO COC(=O)c1cc(NC(=O)NCC[C@@H]([NH3+])C(C)C)cc(Br)c1F ZINC000595231936 565457005 /nfs/dbraw/zinc/45/70/05/565457005.db2.gz JGENXFIKINKMNA-GFCCVEGCSA-N 1 0 390.253 2.870 20 0 GFADRO O=C(NC[C@H]1CCC[NH2+]C1)Nc1ccc(I)cc1F ZINC000595234727 565457127 /nfs/dbraw/zinc/45/71/27/565457127.db2.gz NWRASQWMAHCRIJ-VIFPVBQESA-N 1 0 377.201 2.551 20 0 GFADRO O=C(NCC[C@H]1CCC[NH2+]C1)Nc1ccc(I)cc1F ZINC000595234556 565457214 /nfs/dbraw/zinc/45/72/14/565457214.db2.gz LJXCIFSREGBCLM-SNVBAGLBSA-N 1 0 391.228 2.942 20 0 GFADRO CC[N@@H+]1CCC[C@H](CN(C)c2cc(Br)cnn2)[C@@H]1c1cnn(C)c1 ZINC000664295891 565458242 /nfs/dbraw/zinc/45/82/42/565458242.db2.gz IQGRLOYJVIUABX-CXAGYDPISA-N 1 0 393.333 2.882 20 0 GFADRO C[C@@H](CCCC[NH3+])NC(=O)NCCc1ccc(I)cc1 ZINC000595274792 565460251 /nfs/dbraw/zinc/46/02/51/565460251.db2.gz WBDWRCUEGNUAEJ-LBPRGKRZSA-N 1 0 389.281 2.650 20 0 GFADRO CC(C)[C@@H](C(=O)Nc1nc2cc(I)ccc2[nH]1)[C@@H](C)[NH3+] ZINC000595259376 565460313 /nfs/dbraw/zinc/46/03/13/565460313.db2.gz LPGJFSJQUJWHOY-PRHODGIISA-N 1 0 386.237 2.725 20 0 GFADRO CC[NH+](CC)CCNC(=O)C(=O)Nc1ccc(OC(F)(F)F)cc1Cl ZINC000664596213 565468022 /nfs/dbraw/zinc/46/80/22/565468022.db2.gz SKDPJNHWUPJQGE-UHFFFAOYSA-N 1 0 381.782 2.635 20 0 GFADRO COC(=O)[C@H](c1ccc(Cl)c(Cl)c1)N(C)C[C@H](O)C[N@H+](C)C(C)C ZINC000595370000 565469420 /nfs/dbraw/zinc/46/94/20/565469420.db2.gz JHDTZLCHLJRAQL-CJNGLKHVSA-N 1 0 377.312 2.840 20 0 GFADRO CCC[N@H+](C)CC(C)(C)NS(=O)(=O)c1cc(Cl)ccc1C(=O)OC ZINC000595382553 565471201 /nfs/dbraw/zinc/47/12/01/565471201.db2.gz VZPRGBUMXNABQQ-UHFFFAOYSA-N 1 0 376.906 2.525 20 0 GFADRO CCn1c(CNC(=O)NCC[C@H](C)[NH+](C)C)nc2cc(Br)ccc21 ZINC000664744668 565476515 /nfs/dbraw/zinc/47/65/15/565476515.db2.gz SZFGXBHOGDBGLI-LBPRGKRZSA-N 1 0 396.333 2.958 20 0 GFADRO CN(CC[NH2+]CCS(=O)(=O)c1cccc(Br)c1)c1ccccc1 ZINC000644514182 565479582 /nfs/dbraw/zinc/47/95/82/565479582.db2.gz DWVPLBTZOIYZRK-UHFFFAOYSA-N 1 0 397.338 2.949 20 0 GFADRO O[C@@H](C[NH2+]CCc1ccc2c(c1)CCO2)COc1ccc(Br)cc1 ZINC000644566027 565481985 /nfs/dbraw/zinc/48/19/85/565481985.db2.gz BEBIWBFHFZSRLZ-KRWDZBQOSA-N 1 0 392.293 2.956 20 0 GFADRO CN(C)C(=O)[C@@H]1CCC[C@H]([NH2+]C[C@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000644568001 565482543 /nfs/dbraw/zinc/48/25/43/565482543.db2.gz XORYDKVTIUQHHT-SNPRPXQTSA-N 1 0 389.323 2.970 20 0 GFADRO CN1Cc2ccccc2[C@H]([NH2+]C[C@@H](O)COc2ccc(Br)cc2)C1 ZINC000644609804 565485550 /nfs/dbraw/zinc/48/55/50/565485550.db2.gz LJAVRTVPKLPYKV-VQIMIIECSA-N 1 0 391.309 2.965 20 0 GFADRO Cc1oc(Br)cc1C(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000644635733 565486769 /nfs/dbraw/zinc/48/67/69/565486769.db2.gz YOQNBPNINMNKOR-CQSZACIVSA-N 1 0 384.318 2.591 20 0 GFADRO C[C@@H]1CC[C@@H](C)[NH+]1Cc1nc(-c2cnn3cc(Br)cnc23)no1 ZINC000664956428 565486874 /nfs/dbraw/zinc/48/68/74/565486874.db2.gz PHIMOKGYSCUCGL-NXEZZACHSA-N 1 0 377.246 2.915 20 0 GFADRO O[C@H](C[NH2+]CCc1ccc2c[nH]nc2c1)COc1cccc(Br)c1 ZINC000644642138 565487420 /nfs/dbraw/zinc/48/74/20/565487420.db2.gz LRCRHKVJEPDESK-MRXNPFEDSA-N 1 0 390.281 2.897 20 0 GFADRO CC(C)(CC[NH2+]C[C@H](O)COc1ccc(Cl)c(Cl)c1)S(C)(=O)=O ZINC000644670460 565488433 /nfs/dbraw/zinc/48/84/33/565488433.db2.gz SWLUCTUSSIZDHR-NSHDSACASA-N 1 0 384.325 2.536 20 0 GFADRO C[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)c1ccc(Br)cc1OCCCO ZINC000644708835 565491033 /nfs/dbraw/zinc/49/10/33/565491033.db2.gz LHTAGBSXFWWDHL-CJNGLKHVSA-N 1 0 399.329 2.872 20 0 GFADRO COC(=O)[C@@H]1CC[N@H+](C[C@H](O)COc2ccc(Cl)c(Cl)c2)C[C@@H]1C ZINC000595824134 565492415 /nfs/dbraw/zinc/49/24/15/565492415.db2.gz WPEPTIQXPOHUOI-SGMGOOAPSA-N 1 0 376.280 2.864 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H]1C(=O)NCc1cc(Cl)cc(I)c1 ZINC000595932806 565500282 /nfs/dbraw/zinc/50/02/82/565500282.db2.gz RJKHXRMNLUNGEZ-NWDGAFQWSA-N 1 0 378.641 2.688 20 0 GFADRO C[C@]1([NH3+])CCCC[C@H]1C(=O)NCCc1ccc(I)cc1 ZINC000595946000 565501100 /nfs/dbraw/zinc/50/11/00/565501100.db2.gz HLSDGIFAYKOYIC-HOCLYGCPSA-N 1 0 386.277 2.858 20 0 GFADRO O=C(Nc1nc2cc(I)ccc2[nH]1)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000595950295 565502603 /nfs/dbraw/zinc/50/26/03/565502603.db2.gz SRYCYMOMOIQEJG-CMPLNLGQSA-N 1 0 396.232 2.637 20 0 GFADRO CC[C@@]1(C(=O)N2Cc3sc(C(=O)OC)c(Br)c3C2)CCC[NH2+]1 ZINC000595988884 565503790 /nfs/dbraw/zinc/50/37/90/565503790.db2.gz FPSPUONSVSDDMF-HNNXBMFYSA-N 1 0 387.299 2.672 20 0 GFADRO O=C(Cc1ccc(Br)c(Br)c1)NCC[NH+]1CCCC1 ZINC000665531882 565504222 /nfs/dbraw/zinc/50/42/22/565504222.db2.gz RVGZTEJXRSZDHS-UHFFFAOYSA-N 1 0 390.119 2.966 20 0 GFADRO COC(=O)c1sc2c(c1Br)CN(C(=O)[C@H]1CC13CC[NH2+]CC3)C2 ZINC000595991708 565504586 /nfs/dbraw/zinc/50/45/86/565504586.db2.gz GOKWQDQURZELKY-SNVBAGLBSA-N 1 0 399.310 2.529 20 0 GFADRO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)N(C)Cc1ccccc1Br ZINC000665637269 565506413 /nfs/dbraw/zinc/50/64/13/565506413.db2.gz ZPILEALPXATBPY-HNNXBMFYSA-N 1 0 399.377 2.863 20 0 GFADRO Cc1cc(CNCc2cccnc2N2CC[NH+](C)CC2)ncc1Br ZINC000623379165 565507214 /nfs/dbraw/zinc/50/72/14/565507214.db2.gz AKXHGCOZQJNSEZ-UHFFFAOYSA-N 1 0 390.329 2.589 20 0 GFADRO CCC[C@H](O)C[NH2+]Cc1cc(Cl)cc(Cl)c1OCCN1CCOCC1 ZINC000623416032 565509357 /nfs/dbraw/zinc/50/93/57/565509357.db2.gz GRFCDERMSFYCLP-INIZCTEOSA-N 1 0 391.339 2.955 20 0 GFADRO C[C@H]([NH2+]CC(=O)N1CCOC[C@@H]1C1CC1)c1ccc(F)c(Br)c1 ZINC000645193378 565515785 /nfs/dbraw/zinc/51/57/85/565515785.db2.gz GKIHUXLFUUCCJE-MEDUHNTESA-N 1 0 385.277 2.876 20 0 GFADRO COc1ccc(Br)cc1CNC(=O)NC[C@H]1CCCC[N@H+](C)C1 ZINC000623527203 565517144 /nfs/dbraw/zinc/51/71/44/565517144.db2.gz LZFOTFKJJGUHLW-CYBMUJFWSA-N 1 0 384.318 2.989 20 0 GFADRO COc1ccc(NC(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)c(Br)c1 ZINC000665952263 565518595 /nfs/dbraw/zinc/51/85/95/565518595.db2.gz NICNIBCKDGHYGC-ZDUSSCGKSA-N 1 0 398.301 2.833 20 0 GFADRO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]C1CCN(C(=O)C(C)(C)C)CC1 ZINC000666082574 565521883 /nfs/dbraw/zinc/52/18/83/565521883.db2.gz QHRBPZYVONFQLX-ZDUSSCGKSA-N 1 0 398.345 2.626 20 0 GFADRO COc1c(Br)cc(Br)cc1C[NH2+][C@H]1C[C@H](C(N)=O)C1 ZINC000623663762 565524622 /nfs/dbraw/zinc/52/46/22/565524622.db2.gz BGQSEYFXYUAVAP-GVJMRKKJSA-N 1 0 392.091 2.574 20 0 GFADRO CCN(C(=O)Nc1ccc(NS(C)(=O)=O)c(Cl)c1)[C@@H]1CC[N@H+](CC)C1 ZINC000666157854 565525820 /nfs/dbraw/zinc/52/58/20/565525820.db2.gz FVGDZSPHXHUBEM-CYBMUJFWSA-N 1 0 388.921 2.660 20 0 GFADRO CN1CCOC[C@H]1C[NH2+]Cc1cnc(-c2ccc(Br)cc2)s1 ZINC000623711822 565526977 /nfs/dbraw/zinc/52/69/77/565526977.db2.gz PJCWZVNVABBZBT-CQSZACIVSA-N 1 0 382.327 2.993 20 0 GFADRO C[C@@H]1[C@H]([NH2+]Cc2c[nH]nc2-c2ccc(Br)s2)CCS1(=O)=O ZINC000623721190 565527089 /nfs/dbraw/zinc/52/70/89/565527089.db2.gz NYZYMZGZXKCJJZ-PSASIEDQSA-N 1 0 390.328 2.566 20 0 GFADRO CCn1ccnc1[C@@H](N[C@H](C)C[NH2+]C)c1ccc(I)cc1 ZINC000596652010 565530784 /nfs/dbraw/zinc/53/07/84/565530784.db2.gz FDBHATKDNRALRZ-DOMZBBRYSA-N 1 0 398.292 2.795 20 0 GFADRO Fc1cccc(C[NH2+]C[C@@H]2CN(Cc3ccncc3)CCO2)c1Br ZINC000623782355 565530888 /nfs/dbraw/zinc/53/08/88/565530888.db2.gz QIPFRHOXISIDDD-MRXNPFEDSA-N 1 0 394.288 2.974 20 0 GFADRO CC(C)[N@H+](C)CC1CCN(S(=O)(=O)c2ncccc2C(F)(F)F)CC1 ZINC000645513477 565532936 /nfs/dbraw/zinc/53/29/36/565532936.db2.gz AXWRKRFVPYDXRQ-UHFFFAOYSA-N 1 0 379.448 2.841 20 0 GFADRO Cc1ccc(Br)cc1[C@H](C)[NH2+][C@H]1CCN(CCN2CCOCC2)C1 ZINC000623894815 565533610 /nfs/dbraw/zinc/53/36/10/565533610.db2.gz BRVWHIXBBYIIOA-WMZOPIPTSA-N 1 0 396.373 2.815 20 0 GFADRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(c2ncc(Br)cc2F)CC1 ZINC000623913553 565534610 /nfs/dbraw/zinc/53/46/10/565534610.db2.gz UAWQSZVMIJPCAW-KBPBESRZSA-N 1 0 385.325 2.978 20 0 GFADRO C[C@@H](CC[NH+](C)C)NS(=O)(=O)c1ccc2c(Br)cn(C)c2c1 ZINC000645567370 565539646 /nfs/dbraw/zinc/53/96/46/565539646.db2.gz HLVCXSZQDWCVKY-NSHDSACASA-N 1 0 388.331 2.559 20 0 GFADRO CC[C@H](Cc1ccc(Br)cc1)[NH2+]CCCN1CCC[C@H]1C(N)=O ZINC000624086751 565542798 /nfs/dbraw/zinc/54/27/98/565542798.db2.gz URURHAUCOYMEHO-SJORKVTESA-N 1 0 382.346 2.700 20 0 GFADRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)Nc2ccc(I)cc2F)C1 ZINC000597022488 565547144 /nfs/dbraw/zinc/54/71/44/565547144.db2.gz QAPOLQMMSODANM-JGZJWPJOSA-N 1 0 391.228 2.892 20 0 GFADRO C[C@H]([NH2+]C[C@H]1CN(Cc2ccncc2)CCO1)c1ccc(Br)cn1 ZINC000624264252 565549747 /nfs/dbraw/zinc/54/97/47/565549747.db2.gz WYUSMUUHDMUGOH-YOEHRIQHSA-N 1 0 391.313 2.791 20 0 GFADRO C[C@@H](NC(=O)Cc1cc2c(cc1Br)OCCO2)C1CC[NH+](C)CC1 ZINC000624271611 565550157 /nfs/dbraw/zinc/55/01/57/565550157.db2.gz YBIYZXZTDWZDJQ-GFCCVEGCSA-N 1 0 397.313 2.609 20 0 GFADRO C[C@H](NC(=O)Cc1cc2c(cc1Br)OCCO2)C1CC[NH+](C)CC1 ZINC000624271612 565550210 /nfs/dbraw/zinc/55/02/10/565550210.db2.gz YBIYZXZTDWZDJQ-LBPRGKRZSA-N 1 0 397.313 2.609 20 0 GFADRO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CCN(C)CC(F)F ZINC000624324504 565551387 /nfs/dbraw/zinc/55/13/87/565551387.db2.gz MRFXXQNVNLNNMN-LLVKDONJSA-N 1 0 378.261 2.953 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000645694802 565552812 /nfs/dbraw/zinc/55/28/12/565552812.db2.gz LTAGMLILRZQZBI-SFHVURJKSA-N 1 0 394.313 2.559 20 0 GFADRO Cc1cc(Br)c(F)cc1S(=O)(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000624368371 565553281 /nfs/dbraw/zinc/55/32/81/565553281.db2.gz MPVABDIUYXHADI-LLVKDONJSA-N 1 0 379.295 2.707 20 0 GFADRO COc1cc(C)c(S(=O)(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)cc1Cl ZINC000624384738 565554878 /nfs/dbraw/zinc/55/48/78/565554878.db2.gz CEJUOYSEKMWXSM-GOEBONIOSA-N 1 0 380.897 2.691 20 0 GFADRO C[NH2+]CCOCCN(C)S(=O)(=O)c1cccc(Sc2ccccc2)c1 ZINC000624398973 565555429 /nfs/dbraw/zinc/55/54/29/565555429.db2.gz YRMZKQIPFVLSGH-UHFFFAOYSA-N 1 0 380.535 2.694 20 0 GFADRO CCCOc1ccc(Br)cc1S(=O)(=O)N[C@@H]1CC[NH2+][C@H]1CC ZINC000624394394 565555472 /nfs/dbraw/zinc/55/54/72/565555472.db2.gz CYPBRSAFEYVZKW-QWHCGFSZSA-N 1 0 391.331 2.657 20 0 GFADRO C[N@H+]1C[C@H]2[C@@H](CCN2S(=O)(=O)Cc2cc(Cl)ccc2Br)C1 ZINC000645722217 565555535 /nfs/dbraw/zinc/55/55/35/565555535.db2.gz DVPNZHRDVQMBJD-HZMBPMFUSA-N 1 0 393.734 2.568 20 0 GFADRO CCOC(=O)[C@]1(C)CCC[C@@H]1[NH2+]Cc1ncc(I)s1 ZINC000597243128 565556769 /nfs/dbraw/zinc/55/67/69/565556769.db2.gz YSXIDZDIBGJAHB-TVQRCGJNSA-N 1 0 394.278 2.959 20 0 GFADRO C[C@]12C[NH2+]C[C@@]1(C)CN(S(=O)(=O)c1ccc(Br)cc1Cl)C2 ZINC000624413090 565556831 /nfs/dbraw/zinc/55/68/31/565556831.db2.gz VTHOMYBJQLGOPV-OKILXGFUSA-N 1 0 393.734 2.723 20 0 GFADRO C[NH+](C)C1(C(=O)NCC2(c3cccc(Br)c3)CCOCC2)CC1 ZINC000666843218 565559672 /nfs/dbraw/zinc/55/96/72/565559672.db2.gz AIUHPAPBNSEMQE-UHFFFAOYSA-N 1 0 381.314 2.708 20 0 GFADRO Cc1cc(F)c(Br)cc1NC(=O)NCCN(C)CCC[NH+](C)C ZINC000666862805 565561420 /nfs/dbraw/zinc/56/14/20/565561420.db2.gz NXZOCVQRHZOBCG-UHFFFAOYSA-N 1 0 389.313 2.902 20 0 GFADRO CCC[NH+]1CCC(CNC(=O)NCc2cc(Br)cnc2OC)CC1 ZINC000624632088 565567750 /nfs/dbraw/zinc/56/77/50/565567750.db2.gz GZGSKNGHXCPIBZ-UHFFFAOYSA-N 1 0 399.333 2.774 20 0 GFADRO CC[C@H]1[NH2+]CC[C@H]1C(=O)NCCC(=O)Nc1ccc(Br)cc1C ZINC000645858384 565569325 /nfs/dbraw/zinc/56/93/25/565569325.db2.gz ZJOCWOUAQMURAK-ZIAGYGMSSA-N 1 0 382.302 2.590 20 0 GFADRO CCC1([NH+]2CCOCC2)CCN(c2cc(OC)ncc2Br)CC1 ZINC000624703387 565571886 /nfs/dbraw/zinc/57/18/86/565571886.db2.gz GZCQNPBUCPWPMP-UHFFFAOYSA-N 1 0 384.318 2.934 20 0 GFADRO CC[C@@H](Cc1ccc(Br)cc1)NC(=O)NCC1(O)CC[NH+](C)CC1 ZINC000667134006 565572213 /nfs/dbraw/zinc/57/22/13/565572213.db2.gz MMHKWSXENJDNHI-INIZCTEOSA-N 1 0 398.345 2.526 20 0 GFADRO Cc1cc([C@H]2CCCN2C(=O)NC[C@H]2COCCN2C)ccc1Br ZINC000624738747 565573295 /nfs/dbraw/zinc/57/32/95/565573295.db2.gz OMWYNARKEZBTEH-DOTOQJQBSA-N 1 0 396.329 2.935 20 0 GFADRO O=C(NCC1C[NH2+]C1)Nc1ncc(Cc2cccc(Br)c2)s1 ZINC000667151900 565573479 /nfs/dbraw/zinc/57/34/79/565573479.db2.gz DIHXBQXYFXLJSJ-UHFFFAOYSA-N 1 0 381.299 2.837 20 0 GFADRO CC[C@H](NC(=O)NC[C@@H]1COCCN1C)c1cc(F)cc(Br)c1 ZINC000624731446 565573758 /nfs/dbraw/zinc/57/37/58/565573758.db2.gz PVFXMDNEPOUKBG-CABCVRRESA-N 1 0 388.281 2.669 20 0 GFADRO COc1cc2[nH+]ccc(N[C@H]3CCN(C4CCC4)C3=O)c2cc1Br ZINC000624783313 565576457 /nfs/dbraw/zinc/57/64/57/565576457.db2.gz JIQWOUXRGDNKNU-HNNXBMFYSA-N 1 0 390.281 2.993 20 0 GFADRO CC(C)[N@H+](C)CC(=O)NCc1cc(Cl)ccc1I ZINC000597898541 565580640 /nfs/dbraw/zinc/58/06/40/565580640.db2.gz QDJPKRXCDPPHTF-UHFFFAOYSA-N 1 0 380.657 2.901 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CN(C(=O)Nc2ccn(-c3ccc(Cl)cc3Cl)n2)CCO1 ZINC000667316072 565581247 /nfs/dbraw/zinc/58/12/47/565581247.db2.gz UGLCLSNUHRZQHS-YGRLFVJLSA-N 1 0 384.267 2.759 20 0 GFADRO CCN(C(=O)c1ccc(F)c(I)c1)[C@@H]1CC[N@H+](C)C1 ZINC000597945929 565583522 /nfs/dbraw/zinc/58/35/22/565583522.db2.gz KHHNZXXHRACFQR-LLVKDONJSA-N 1 0 376.213 2.597 20 0 GFADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)NCc2csc(C(F)(F)F)c2)C1 ZINC000624929661 565583841 /nfs/dbraw/zinc/58/38/41/565583841.db2.gz XKAOSWARNKCTNI-ZDUSSCGKSA-N 1 0 379.448 2.923 20 0 GFADRO CCCC[N@H+](C[C@H]1CCCN(S(C)(=O)=O)C1)[C@@H]1CCc2ncsc2C1 ZINC000646129504 565588235 /nfs/dbraw/zinc/58/82/35/565588235.db2.gz KDAUNOPZYPVTJA-HZPDHXFCSA-N 1 0 385.599 2.774 20 0 GFADRO CC1([NH3+])CCN(C(=O)C(=O)Nc2ccc(-c3ccc(Cl)s3)nc2)CC1 ZINC000667512003 565592409 /nfs/dbraw/zinc/59/24/09/565592409.db2.gz DRGHTDLBEVSRSL-UHFFFAOYSA-N 1 0 378.885 2.742 20 0 GFADRO O=C(NCCOCc1ccc(Cl)cc1Cl)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000646293729 565594173 /nfs/dbraw/zinc/59/41/73/565594173.db2.gz CHAROMWKBGLMBK-LLVKDONJSA-N 1 0 383.279 2.740 20 0 GFADRO CC[C@H]1CN(C(=O)C(=O)Nc2cccc(Cl)c2Br)CC[C@H]1[NH3+] ZINC000667550431 565594470 /nfs/dbraw/zinc/59/44/70/565594470.db2.gz MFWMSJSFMMVFOR-GXSJLCMTSA-N 1 0 388.693 2.627 20 0 GFADRO CC(C)(C)[N@@H+]1CCCN(C(=O)c2cc(Br)cc3[nH]c(=O)[nH]c32)CC1 ZINC000667562010 565594673 /nfs/dbraw/zinc/59/46/73/565594673.db2.gz PGAMSRVBYWYICO-UHFFFAOYSA-N 1 0 395.301 2.977 20 0 GFADRO CC[C@H]1CN(C(=O)Nc2ccc3nccnc3c2Br)CC[C@H]1[NH3+] ZINC000667590696 565595593 /nfs/dbraw/zinc/59/55/93/565595593.db2.gz MTYVIGAGBPSAMV-WDEREUQCSA-N 1 0 378.274 2.983 20 0 GFADRO COc1cc(Br)cc(NC(=O)N2CCOC3(CC[NH+](C)CC3)C2)c1 ZINC000646328033 565596228 /nfs/dbraw/zinc/59/62/28/565596228.db2.gz HWRAQEZBYDPBLB-UHFFFAOYSA-N 1 0 398.301 2.786 20 0 GFADRO C[C@H]1COCC[N@@H+]1C1CCN(C(=O)c2ccc(F)cc2Br)CC1 ZINC000646321467 565596703 /nfs/dbraw/zinc/59/67/03/565596703.db2.gz LBBAJYXLBMYBHJ-LBPRGKRZSA-N 1 0 385.277 2.914 20 0 GFADRO C[C@@H]1COCC[N@@H+]1C1CCN(C(=O)c2ccc(Br)c(F)c2)CC1 ZINC000646316140 565596866 /nfs/dbraw/zinc/59/68/66/565596866.db2.gz BRHQQNVSYUDNMK-GFCCVEGCSA-N 1 0 385.277 2.914 20 0 GFADRO O=C([C@H](c1ccc(Br)cc1)N1CCCC1)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000646340216 565597492 /nfs/dbraw/zinc/59/74/92/565597492.db2.gz DASXGEAZDLHHDG-OLMNPRSZSA-N 1 0 392.341 2.796 20 0 GFADRO COCC[C@H](Cc1cccc(Br)c1)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000646336771 565597554 /nfs/dbraw/zinc/59/75/54/565597554.db2.gz DNZWPQRLXCVULG-LZLYRXPVSA-N 1 0 395.341 2.855 20 0 GFADRO O=C(c1[nH]nc(C2CC2)c1Br)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000646377789 565601133 /nfs/dbraw/zinc/60/11/33/565601133.db2.gz BEQKHJRZCYUHAM-QWHCGFSZSA-N 1 0 381.318 2.901 20 0 GFADRO O=C(c1cc(Br)c2c(c1)OCCO2)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000646386029 565601241 /nfs/dbraw/zinc/60/12/41/565601241.db2.gz QHVWQFJQDFQVED-CHWSQXEVSA-N 1 0 395.297 2.682 20 0 GFADRO C[C@H](Oc1ccccc1Br)C(=O)N1CCOC[C@@H]1[C@@H]1CCC[N@@H+]1C ZINC000646455472 565604174 /nfs/dbraw/zinc/60/41/74/565604174.db2.gz OOQLGQQYPRECIR-CWRNSKLLSA-N 1 0 397.313 2.538 20 0 GFADRO CCC[N@@H+]1CC[C@@H](NC(=O)C2(c3ccc(I)cc3)CC2)C1 ZINC000598343412 565610776 /nfs/dbraw/zinc/61/07/76/565610776.db2.gz UMYHNPJOULCPSO-OAHLLOKOSA-N 1 0 398.288 2.923 20 0 GFADRO C[NH+]1CCN(C(C)(C)CNC(=O)Nc2cccc(Br)c2F)CC1 ZINC000667925000 565614805 /nfs/dbraw/zinc/61/48/05/565614805.db2.gz INPIYGOFXVFTCT-UHFFFAOYSA-N 1 0 387.297 2.736 20 0 GFADRO CN1CCCC[C@@H]1C(=O)Nc1nc2cc(I)ccc2[nH]1 ZINC000598426196 565616120 /nfs/dbraw/zinc/61/61/20/565616120.db2.gz YNRRZDQEKKDXKJ-GFCCVEGCSA-N 1 0 384.221 2.590 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CN(C(=O)C2(c3cc(C(F)(F)F)ccc3Cl)CC2)CCO1 ZINC000646854426 565623071 /nfs/dbraw/zinc/62/30/71/565623071.db2.gz VEKKJSYEROHJAY-HZMBPMFUSA-N 1 0 376.806 2.965 20 0 GFADRO O=C(NC[C@@H]1CCC[N@H+](CC2CC2)C1)c1ccc(I)cn1 ZINC000598559353 565626809 /nfs/dbraw/zinc/62/68/09/565626809.db2.gz GBWRVWHNKGZJBM-ZDUSSCGKSA-N 1 0 399.276 2.538 20 0 GFADRO CC(C)[C@H]1CN(C(=O)c2cccc(F)c2I)CC[NH2+]1 ZINC000598576997 565627757 /nfs/dbraw/zinc/62/77/57/565627757.db2.gz ZISURUMBVIRFTF-GFCCVEGCSA-N 1 0 376.213 2.500 20 0 GFADRO CC[N@H+](CCNC(=O)[C@@H]1CCO[C@H]1c1cncc(Br)c1)C1CC1 ZINC000668152019 565629346 /nfs/dbraw/zinc/62/93/46/565629346.db2.gz WVXKPRGKBCXACJ-CVEARBPZSA-N 1 0 382.302 2.522 20 0 GFADRO Cc1cc(Br)c(S(=O)(=O)NC[C@H]2CCCC[N@@H+](C)C2)s1 ZINC000625423796 565629566 /nfs/dbraw/zinc/62/95/66/565629566.db2.gz ZWRPQNQVVKMUSE-LLVKDONJSA-N 1 0 381.361 2.829 20 0 GFADRO C[N@@H+]1CCCC[C@@H](CNS(=O)(=O)c2cccc(OC(F)(F)F)c2F)C1 ZINC000625424728 565629714 /nfs/dbraw/zinc/62/97/14/565629714.db2.gz KGQIUAFPMCJHNG-NSHDSACASA-N 1 0 384.395 2.735 20 0 GFADRO C[N@@H+]1CCCC[C@@H](CNS(=O)(=O)Cc2ccc(Br)c(F)c2)C1 ZINC000625423093 565630320 /nfs/dbraw/zinc/63/03/20/565630320.db2.gz BVUGCXMCEJYVAV-ZDUSSCGKSA-N 1 0 393.322 2.740 20 0 GFADRO C[N@@H+]1CCCC[C@H](CNS(=O)(=O)c2cc(Cl)ccc2OC(F)F)C1 ZINC000625425227 565630363 /nfs/dbraw/zinc/63/03/63/565630363.db2.gz NMNSIAWFCNUKKH-LLVKDONJSA-N 1 0 382.860 2.952 20 0 GFADRO COCC[C@@H](Cc1cccc(Br)c1)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000646987866 565631515 /nfs/dbraw/zinc/63/15/15/565631515.db2.gz SZNSVKXOYBHRQH-DOTOQJQBSA-N 1 0 383.330 2.903 20 0 GFADRO C[C@@H](CCCC[NH3+])NC(=O)c1ncc(Br)cc1Br ZINC000647051862 565634557 /nfs/dbraw/zinc/63/45/57/565634557.db2.gz YOCSGEXICCAXBU-QMMMGPOBSA-N 1 0 379.096 2.854 20 0 GFADRO CC[NH+]1CCC(N2CCCN(Cc3c(F)cncc3Br)CC2)CC1 ZINC000668244662 565634890 /nfs/dbraw/zinc/63/48/90/565634890.db2.gz HJNJOBGNKYHETO-UHFFFAOYSA-N 1 0 399.352 2.975 20 0 GFADRO CC[C@H](C)[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)N[C@@H](CC[NH3+])C(F)F ZINC000647070434 565635404 /nfs/dbraw/zinc/63/54/04/565635404.db2.gz GREDEOQRFLYIBO-LEWSCRJBSA-N 1 0 375.847 2.583 20 0 GFADRO [NH3+][C@H]1CCO[C@@H](C2CCN(C(=O)c3ccc(Br)c(O)c3)CC2)C1 ZINC000647089799 565636623 /nfs/dbraw/zinc/63/66/23/565636623.db2.gz SOBBJKHOZUGHKI-XJKSGUPXSA-N 1 0 383.286 2.513 20 0 GFADRO C[C@H](CC(=O)N1CCC([C@H]2[NH2+]CC2(C)C)CC1)n1cc(Br)cn1 ZINC000647092722 565636818 /nfs/dbraw/zinc/63/68/18/565636818.db2.gz JCMCPNACCHDOTD-MLGOLLRUSA-N 1 0 383.334 2.833 20 0 GFADRO C[S@](=O)[C@H]1CCC[C@H](NC(=O)[C@@H]2C[N@@H+](C(C)(C)C)C[C@H]2C(F)(F)F)C1 ZINC000598751861 565639543 /nfs/dbraw/zinc/63/95/43/565639543.db2.gz HUVHAJIKRUIRRE-OPNQGORYSA-N 1 0 382.492 2.701 20 0 GFADRO C[N@H+](CCNC(=O)c1cc(Br)cc2[nH]c(=O)[nH]c21)C1CCCC1 ZINC000668315090 565639929 /nfs/dbraw/zinc/63/99/29/565639929.db2.gz FARQOGMQKDRJLS-UHFFFAOYSA-N 1 0 381.274 2.635 20 0 GFADRO O=S(=O)(c1ccc(OCC(F)(F)F)cc1)N(C1CC1)C1CC[NH2+]CC1 ZINC000647190194 565643958 /nfs/dbraw/zinc/64/39/58/565643958.db2.gz MXZXWIHIOSNIMY-UHFFFAOYSA-N 1 0 378.416 2.533 20 0 GFADRO O=S(=O)(c1cccc(OC(F)(F)F)c1F)N(C1CC1)C1CC[NH2+]CC1 ZINC000647190754 565645762 /nfs/dbraw/zinc/64/57/62/565645762.db2.gz NOWUNJDMRSJZJR-UHFFFAOYSA-N 1 0 382.379 2.629 20 0 GFADRO CC1(C)C[NH2+]CCN1S(=O)(=O)Cc1ccc(Cl)cc1Br ZINC000647228829 565646919 /nfs/dbraw/zinc/64/69/19/565646919.db2.gz WWXFVMLNJSRQNF-UHFFFAOYSA-N 1 0 381.723 2.616 20 0 GFADRO CCOc1cc(C[N@@H+]2CC[C@H](Cn3ccnn3)C2)cc(Br)c1OC ZINC000668450971 565647700 /nfs/dbraw/zinc/64/77/00/565647700.db2.gz JUYGCTAFCCHBJL-ZDUSSCGKSA-N 1 0 395.301 2.970 20 0 GFADRO Cc1cc(C[NH2+]CCNC(=O)c2ccc(Br)cn2)cc(C)c1O ZINC000668460557 565647999 /nfs/dbraw/zinc/64/79/99/565647999.db2.gz UQEIUHBYUMHFJA-UHFFFAOYSA-N 1 0 378.270 2.686 20 0 GFADRO COc1cc(OC)c(S(=O)(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cc1Cl ZINC000647238304 565648426 /nfs/dbraw/zinc/64/84/26/565648426.db2.gz JQELNTYZMMEJCT-OCCSQVGLSA-N 1 0 388.917 2.510 20 0 GFADRO CO[C@@H](CS(=O)(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1)C(C)C ZINC000647267311 565650862 /nfs/dbraw/zinc/65/08/62/565650862.db2.gz XXLKFWCQANFOGR-INIZCTEOSA-N 1 0 378.922 2.693 20 0 GFADRO CC[C@H]1CN(S(=O)(=O)c2cc(C)c(Br)cc2F)CC[C@@H]1[NH3+] ZINC000647270360 565651675 /nfs/dbraw/zinc/65/16/75/565651675.db2.gz XTZKZUKUCYMCMS-GWCFXTLKSA-N 1 0 379.295 2.645 20 0 GFADRO CC[C@H]1CN(S(=O)(=O)c2cc(Cl)ccc2OCCCOC)CC[C@H]1[NH3+] ZINC000647268445 565652051 /nfs/dbraw/zinc/65/20/51/565652051.db2.gz CGBHGPCIDPKQHQ-DZGCQCFKSA-N 1 0 390.933 2.503 20 0 GFADRO Brc1ccc(N2CC[NH+](C[C@H]3CNc4ccnn4C3)CC2)cc1 ZINC000668535529 565652269 /nfs/dbraw/zinc/65/22/69/565652269.db2.gz BJAPINTVSNTKCF-CQSZACIVSA-N 1 0 376.302 2.510 20 0 GFADRO Cc1cc(Br)ccc1S(=O)(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000647300376 565655586 /nfs/dbraw/zinc/65/55/86/565655586.db2.gz LMFHAELBODWYLB-AWEZNQCLSA-N 1 0 387.343 2.768 20 0 GFADRO CC[C@H]([NH2+][C@H](CO)c1ccnn1C)c1ccc(I)cc1 ZINC000599055738 565655814 /nfs/dbraw/zinc/65/58/14/565655814.db2.gz POHOTELUVAVBIQ-UONOGXRCSA-N 1 0 385.249 2.799 20 0 GFADRO COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+][C@@H]1CC[C@@H](C)S(=O)(=O)C1 ZINC000668561727 565656107 /nfs/dbraw/zinc/65/61/07/565656107.db2.gz REDLPWRURYVURL-OUCADQQQSA-N 1 0 388.917 2.621 20 0 GFADRO O=S(=O)(c1ncccc1C(F)(F)F)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647309288 565656254 /nfs/dbraw/zinc/65/62/54/565656254.db2.gz IDSBZYZRKTYNJJ-STQMWFEESA-N 1 0 377.432 2.501 20 0 GFADRO O=S(=O)(c1c[nH]c2nccc(Cl)c12)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647308861 565656350 /nfs/dbraw/zinc/65/63/50/565656350.db2.gz WRWBLNWRCDVOIC-CHWSQXEVSA-N 1 0 382.917 2.617 20 0 GFADRO C[C@@H](C[NH2+][C@H](C)c1cccc(S(=O)(=O)N2CCOCC2)c1)CC(F)F ZINC000647318174 565656440 /nfs/dbraw/zinc/65/64/40/565656440.db2.gz HXYBDMAWEGMWFQ-ZIAGYGMSSA-N 1 0 376.469 2.649 20 0 GFADRO C[C@H]([NH2+]CC[C@@H]1CSc2ccccc2O1)c1cccc(S(N)(=O)=O)c1 ZINC000647320745 565656911 /nfs/dbraw/zinc/65/69/11/565656911.db2.gz AWCGOFMDNSVHAX-DZGCQCFKSA-N 1 0 378.519 2.928 20 0 GFADRO Cc1nc(-c2ccc(S(=O)(=O)N3CC[C@H]4C[NH2+]C[C@H]4CC3)s2)cs1 ZINC000647309385 565657067 /nfs/dbraw/zinc/65/70/67/565657067.db2.gz PASVDWJWYPUVNI-BETUJISGSA-N 1 0 383.564 2.800 20 0 GFADRO C[C@H]([NH2+]CC[C@H]1CSc2ccccc2O1)c1ccc(S(N)(=O)=O)cc1 ZINC000647320838 565657087 /nfs/dbraw/zinc/65/70/87/565657087.db2.gz HIABCCAOBQKJAR-ZFWWWQNUSA-N 1 0 378.519 2.928 20 0 GFADRO O=S(=O)(NCCC[C@@H]1CCC[NH2+]1)c1c(Cl)cccc1Br ZINC000647321079 565657106 /nfs/dbraw/zinc/65/71/06/565657106.db2.gz VFSLHLAWRIBYBB-JTQLQIEISA-N 1 0 381.723 2.913 20 0 GFADRO C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CCCc1ncn(C)n1 ZINC000647325419 565658148 /nfs/dbraw/zinc/65/81/48/565658148.db2.gz FUIXGUYCQNRLOA-LBPRGKRZSA-N 1 0 380.290 2.517 20 0 GFADRO O=S(=O)(Cc1ccc(Br)cc1Cl)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000647324502 565658379 /nfs/dbraw/zinc/65/83/79/565658379.db2.gz YDYUFXGJZJALGU-IINYFYTJSA-N 1 0 393.734 2.616 20 0 GFADRO C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CC(C)(C)[C@]1(O)CCOC1 ZINC000647341135 565658389 /nfs/dbraw/zinc/65/83/89/565658389.db2.gz SNYVHBMKYVVRPL-UGSOOPFHSA-N 1 0 399.329 2.933 20 0 GFADRO CS(=O)(=O)Nc1ccc(NC(=O)N[C@H]2CC[NH2+]C23CCCC3)cc1Cl ZINC000647474499 565660680 /nfs/dbraw/zinc/66/06/80/565660680.db2.gz ZBRLRDQTXOJTSW-AWEZNQCLSA-N 1 0 386.905 2.508 20 0 GFADRO OC[C@]1([NH2+]C[C@@H](O)Cc2ccccc2)CCc2cc(Br)ccc2C1 ZINC000625797365 565660843 /nfs/dbraw/zinc/66/08/43/565660843.db2.gz UWMAGVLUJDFIFZ-PMACEKPBSA-N 1 0 390.321 2.862 20 0 GFADRO COc1cc(CN2CCO[C@H]([C@H](C)[NH3+])C2)cc(Br)c1OC(F)F ZINC000647508127 565661464 /nfs/dbraw/zinc/66/14/64/565661464.db2.gz IBIRZAYLKQYBOD-ZANVPECISA-N 1 0 395.244 2.607 20 0 GFADRO Cc1cc(Br)cc(CN2CCO[C@H]([C@H](C)[NH3+])C2)c1OC(F)F ZINC000647507488 565661658 /nfs/dbraw/zinc/66/16/58/565661658.db2.gz QVCQFYRBCMPQPN-GWCFXTLKSA-N 1 0 379.245 2.907 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CN(Cc2ccc(OC(F)(F)F)c(Br)c2)CCO1 ZINC000647506623 565661828 /nfs/dbraw/zinc/66/18/28/565661828.db2.gz XOYKLMSNEIEQJR-RNCFNFMXSA-N 1 0 383.208 2.896 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)c(C)c1CN1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000647507570 565661906 /nfs/dbraw/zinc/66/19/06/565661906.db2.gz RXUNNHXNUGCVTL-SGTLLEGYSA-N 1 0 393.329 2.800 20 0 GFADRO CCN(C(=O)C(=O)N[C@H]1CCSc2ccc(Cl)cc21)[C@H]1CC[N@H+](C)C1 ZINC000668708146 565661924 /nfs/dbraw/zinc/66/19/24/565661924.db2.gz TWOOKOITZWXDGX-ZFWWWQNUSA-N 1 0 381.929 2.546 20 0 GFADRO C[NH2+]CCOCCNC(=O)Nc1ccc(Br)c(C(F)(F)F)c1 ZINC000625834284 565662532 /nfs/dbraw/zinc/66/25/32/565662532.db2.gz YEGQMDJPEQJNAW-UHFFFAOYSA-N 1 0 384.196 2.825 20 0 GFADRO Cc1c(Br)cccc1C[C@H](CO)C[NH2+]C[C@@](C)(O)C(F)(F)F ZINC000647536931 565664201 /nfs/dbraw/zinc/66/42/01/565664201.db2.gz IJXDHLFEILMWNN-SMDDNHRTSA-N 1 0 384.236 2.811 20 0 GFADRO [NH3+]CCCOCCNC(=O)Nc1ccnn1Cc1c(Cl)cccc1Cl ZINC000625880774 565664768 /nfs/dbraw/zinc/66/47/68/565664768.db2.gz MJHGFAIVSWKSAU-UHFFFAOYSA-N 1 0 386.283 2.725 20 0 GFADRO Cc1c(Br)cncc1C(=O)NC1CC[NH+](Cc2cccnc2)CC1 ZINC000668777132 565665781 /nfs/dbraw/zinc/66/57/81/565665781.db2.gz SABWELQMMVFAAY-UHFFFAOYSA-N 1 0 389.297 2.942 20 0 GFADRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)[C@@H]1CCO[C@H]1c1cncc(Br)c1 ZINC000668800369 565667027 /nfs/dbraw/zinc/66/70/27/565667027.db2.gz MUNDJRPULYPFKV-XYPHTWIQSA-N 1 0 396.329 2.722 20 0 GFADRO CC1CC[NH+](C[C@H](O)CNC(=O)[C@H]2C[C@H]2c2cccc(Br)c2)CC1 ZINC000599275584 565667204 /nfs/dbraw/zinc/66/72/04/565667204.db2.gz IGSIIBHPZAWAIV-SQNIBIBYSA-N 1 0 395.341 2.762 20 0 GFADRO Cc1nn(-c2ccccc2Br)cc1C[N@@H+](C)C1(CO)CCOCC1 ZINC000668804366 565667741 /nfs/dbraw/zinc/66/77/41/565667741.db2.gz RKKMSZMJDNXSBV-UHFFFAOYSA-N 1 0 394.313 2.917 20 0 GFADRO CN(C)C[C@H]([NH2+]C[C@H](O)COC[C@H]1CCCO1)c1ccc(Cl)c(Cl)c1 ZINC000625983728 565667859 /nfs/dbraw/zinc/66/78/59/565667859.db2.gz YYZDKXIGKBKKRO-DAYGRLMNSA-N 1 0 391.339 2.742 20 0 GFADRO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)[C@]12CCC(=O)N1c1cc(Cl)ccc1S2 ZINC000647833056 565679696 /nfs/dbraw/zinc/67/96/96/565679696.db2.gz JELWDLONIXURBD-AEDCBLDQSA-N 1 0 379.913 2.820 20 0 GFADRO CNS(=O)(=O)C[C@@H]1CCC[N@H+](Cc2cc(Br)ccc2C)C1 ZINC000626166210 565679796 /nfs/dbraw/zinc/67/97/96/565679796.db2.gz POFRSSSHYTVHHE-CYBMUJFWSA-N 1 0 375.332 2.519 20 0 GFADRO C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)C2([NH+](C)C)CC2)CC1 ZINC000669235247 565682764 /nfs/dbraw/zinc/68/27/64/565682764.db2.gz RBAUDCFCQSWWDM-CQSZACIVSA-N 1 0 380.330 2.749 20 0 GFADRO CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NCCCc2ccc(Cl)cc2Cl)C1 ZINC000669281499 565683190 /nfs/dbraw/zinc/68/31/90/565683190.db2.gz ODVUVNHVMZNEEX-OAHLLOKOSA-N 1 0 386.323 2.643 20 0 GFADRO C[NH2+]C[C@@H]1C[C@H](F)CN1CC(=O)Nc1ccc(Br)cc1Cl ZINC000647961255 565684259 /nfs/dbraw/zinc/68/42/59/565684259.db2.gz XQUZMTBCDTVPGP-QWRGUYRKSA-N 1 0 378.673 2.673 20 0 GFADRO CC[NH+](CC)[C@@H]1CCN(C(=O)c2cc(Br)cc3c2OCCO3)C1 ZINC000669359060 565686275 /nfs/dbraw/zinc/68/62/75/565686275.db2.gz HAYRWPONQGCRBZ-CYBMUJFWSA-N 1 0 383.286 2.777 20 0 GFADRO C[C@H]([NH3+])[C@H]1CN(C(=O)NCC2(c3cccc(Br)c3)CCC2)CCO1 ZINC000669403509 565686627 /nfs/dbraw/zinc/68/66/27/565686627.db2.gz ZEPLAWKRLMOENY-XJKSGUPXSA-N 1 0 396.329 2.628 20 0 GFADRO CC(=O)NCc1ccc(-c2nc(NC(=O)[C@@H]3C[C@H]4C[C@H]4[NH2+]3)sc2C)s1 ZINC000647988769 565686689 /nfs/dbraw/zinc/68/66/89/565686689.db2.gz IXWPYSZGSCZVIT-RTXFEEFZSA-N 1 0 376.507 2.505 20 0 GFADRO NC(=O)NC(=O)CCC[N@@H+]1CC[C@@H](Sc2ccc(Br)cc2)C1 ZINC000599526496 565686959 /nfs/dbraw/zinc/68/69/59/565686959.db2.gz NFVUDPGVDLDZNT-CYBMUJFWSA-N 1 0 386.315 2.591 20 0 GFADRO CC[C@H]1CN(C(=O)NCCC(=O)Nc2ccc(Br)cc2)CC[C@@H]1[NH3+] ZINC000669403688 565686928 /nfs/dbraw/zinc/68/69/28/565686928.db2.gz BLLRHBMSGGUHAC-WFASDCNBSA-N 1 0 397.317 2.547 20 0 GFADRO CC[C@@H]1CN(C(=O)N[C@H]2CCN(c3ccc(Br)cc3)C2)CC[C@@H]1[NH3+] ZINC000669458037 565689173 /nfs/dbraw/zinc/68/91/73/565689173.db2.gz KUCYKYDHROPTCV-KMFMINBZSA-N 1 0 395.345 2.797 20 0 GFADRO O=C(NCC[NH2+]C1CC1)NCc1cc(Br)ccc1OC(F)F ZINC000669437205 565689526 /nfs/dbraw/zinc/68/95/26/565689526.db2.gz MSKUNKIRGAJLGM-UHFFFAOYSA-N 1 0 378.217 2.602 20 0 GFADRO COC(=O)c1ccc(C[NH2+][C@@]2(CO)CCc3cc(Br)ccc3C2)o1 ZINC000599573244 565689668 /nfs/dbraw/zinc/68/96/68/565689668.db2.gz NRILAYJQOHZDSV-SFHVURJKSA-N 1 0 394.265 2.838 20 0 GFADRO COc1ccc([C@H](NC(=O)COCC[NH3+])c2ccccc2)cc1Br ZINC000648067935 565690000 /nfs/dbraw/zinc/69/00/00/565690000.db2.gz LMSDZHROJRQNSW-GOSISDBHSA-N 1 0 393.281 2.639 20 0 GFADRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)Nc1cc(OC)ccc1I ZINC000599598295 565691631 /nfs/dbraw/zinc/69/16/31/565691631.db2.gz IGYUXMLLOWXTMZ-NWDGAFQWSA-N 1 0 389.237 2.562 20 0 GFADRO COc1cc(Br)ccc1CCCNC(=O)N[C@H]1CCC[NH2+]CC1 ZINC000669557539 565692619 /nfs/dbraw/zinc/69/26/19/565692619.db2.gz UOHXXYVMBXHFQI-HNNXBMFYSA-N 1 0 384.318 2.832 20 0 GFADRO CN(C)Cc1ccc(NC(=O)C2([NH3+])Cc3ccccc3C2)cc1Br ZINC000648159729 565692751 /nfs/dbraw/zinc/69/27/51/565692751.db2.gz CNQMCXLOBGUQDM-UHFFFAOYSA-N 1 0 388.309 2.946 20 0 GFADRO COc1ccc(NC(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)c(I)c1 ZINC000599607526 565692749 /nfs/dbraw/zinc/69/27/49/565692749.db2.gz ZHFQCLSDNFLMBR-VHSXEESVSA-N 1 0 389.237 2.562 20 0 GFADRO O=C(N[C@@H]1CCOc2c(Br)cccc21)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000669580848 565693599 /nfs/dbraw/zinc/69/35/99/565693599.db2.gz PDHXQSCFABPGOA-DFBGVHRSSA-N 1 0 380.286 2.666 20 0 GFADRO O=C(NCCc1c[nH]c2cccc(Br)c12)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000669588514 565694467 /nfs/dbraw/zinc/69/44/67/565694467.db2.gz WZAOCRIJQPKZRY-LRDDRELGSA-N 1 0 391.313 2.866 20 0 GFADRO COc1cc(C(=O)N[C@H]2CC[NH2+]C23CCCC3)cc(Br)c1OC ZINC000648211498 565694660 /nfs/dbraw/zinc/69/46/60/565694660.db2.gz UBMTXMRPEQGKEC-AWEZNQCLSA-N 1 0 383.286 2.871 20 0 GFADRO COC(=O)c1cccc(Br)c1CN1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC000599636451 565695218 /nfs/dbraw/zinc/69/52/18/565695218.db2.gz KMUZXEXNJXCTEJ-DMDKVIGKSA-N 1 0 386.311 2.721 20 0 GFADRO CCC(O)(CC)C[N@H+](C)CC(=O)Nc1ccc(I)cc1 ZINC000599673646 565696327 /nfs/dbraw/zinc/69/63/27/565696327.db2.gz SGFNAXIFEVAVJM-UHFFFAOYSA-N 1 0 390.265 2.713 20 0 GFADRO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)N[C@H]1COc2cc(F)c(Br)cc21 ZINC000669649680 565696744 /nfs/dbraw/zinc/69/67/44/565696744.db2.gz MCFRRDRRORYBFP-ABAIWWIYSA-N 1 0 398.276 2.805 20 0 GFADRO O=C(NCC[N@H+]1CC[C@H](O)C1)Nc1ccc(C(F)(F)F)c(Br)c1 ZINC000626532038 565697757 /nfs/dbraw/zinc/69/77/57/565697757.db2.gz IJJKFMKDGGVHTK-JTQLQIEISA-N 1 0 396.207 2.656 20 0 GFADRO COC(=O)c1cc(NC(=O)NC[C@@H]2CCC[N@@H+]2C)c(Br)cc1F ZINC000599747229 565699559 /nfs/dbraw/zinc/69/95/59/565699559.db2.gz ISODNSNTCWZONK-VIFPVBQESA-N 1 0 388.237 2.591 20 0 GFADRO CCc1nn(C)cc1CN(CCNC(C)=O)Cc1ccc(Br)s1 ZINC000669719924 565700060 /nfs/dbraw/zinc/70/00/60/565700060.db2.gz RFKWJQYSLBOFEP-UHFFFAOYSA-N 1 0 399.358 2.945 20 0 GFADRO CC(=O)NCCN(Cc1ccc(Cl)cc1Cl)C(=O)[C@@H]1CCCC[N@H+]1C ZINC000669739604 565700282 /nfs/dbraw/zinc/70/02/82/565700282.db2.gz IKSRPRSLTHKLJT-KRWDZBQOSA-N 1 0 386.323 2.942 20 0 GFADRO CC1(C)CN(C(=O)c2ccc(OC(F)(F)F)c(Cl)c2)CCN1CCO ZINC000626587068 565702260 /nfs/dbraw/zinc/70/22/60/565702260.db2.gz AMEMAHUZSZBNDO-UHFFFAOYSA-N 1 0 380.794 2.767 20 0 GFADRO CCN(CC[NH3+])C(=O)C(=O)Nc1cc(Cl)ccc1SCC(F)(F)F ZINC000626853538 565713189 /nfs/dbraw/zinc/71/31/89/565713189.db2.gz GMEQSRISXCNNDB-UHFFFAOYSA-N 1 0 383.823 2.740 20 0 GFADRO Cc1ccc(Cl)c(NC(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)c1 ZINC000626861292 565713262 /nfs/dbraw/zinc/71/32/62/565713262.db2.gz NHVKMYGUQZMBRE-MNOVXSKESA-N 1 0 377.794 2.573 20 0 GFADRO Cc1cc(Br)c(Cl)cc1NC(=O)C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000626893001 565714112 /nfs/dbraw/zinc/71/41/12/565714112.db2.gz JTDOFJNAKPYMEH-ZJUUUORDSA-N 1 0 388.693 2.606 20 0 GFADRO O=S1(=O)CCCN1CCC[NH2+][C@H]1CCc2c1ccc(F)c2Br ZINC000648448870 565714263 /nfs/dbraw/zinc/71/42/63/565714263.db2.gz SOYSRJWQRYOYKG-AWEZNQCLSA-N 1 0 391.306 2.591 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+][C@H]1CC[C@@H](CO)CC1 ZINC000648481781 565716100 /nfs/dbraw/zinc/71/61/00/565716100.db2.gz JBLAYMNHCMFCCI-HEHGZKQESA-N 1 0 399.329 2.603 20 0 GFADRO [NH3+]CCCOCCNC(=O)N[C@H](c1ccc(Br)cc1)C1CCC1 ZINC000626945753 565716101 /nfs/dbraw/zinc/71/61/01/565716101.db2.gz YBMOPCHDMRGNJG-INIZCTEOSA-N 1 0 384.318 2.955 20 0 GFADRO CC(C)(C)OC(=O)[C@](C)(O)C[NH2+]Cc1ccc(Br)c(F)c1F ZINC000600151748 565716258 /nfs/dbraw/zinc/71/62/58/565716258.db2.gz PBGBNKCLUYUQQI-OAHLLOKOSA-N 1 0 380.229 2.910 20 0 GFADRO CN(CCCC[NH+](C)C)C(=O)C(=O)Nc1cccc(Br)c1Cl ZINC000670213367 565717961 /nfs/dbraw/zinc/71/79/61/565717961.db2.gz CAOZBABIUIVISG-UHFFFAOYSA-N 1 0 390.709 2.841 20 0 GFADRO O=C(NC[C@@H]1COCC[NH2+]1)NCC1(c2cccc(Br)c2)CCCC1 ZINC000627003089 565718728 /nfs/dbraw/zinc/71/87/28/565718728.db2.gz GQVZJPLBMWSPBO-MRXNPFEDSA-N 1 0 396.329 2.549 20 0 GFADRO C[C@@H]1CC[C@@H](NC(=O)N[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C[NH2+]1 ZINC000627011191 565718899 /nfs/dbraw/zinc/71/88/99/565718899.db2.gz YCIAWVFDQFZHCH-HFAKWTLXSA-N 1 0 385.295 2.538 20 0 GFADRO O=S(=O)(NC[C@@H]1CCC[N@@H+](Cc2cc3cc(Cl)cnc3o2)C1)C1CC1 ZINC000648589376 565719111 /nfs/dbraw/zinc/71/91/11/565719111.db2.gz ZIFPUASDHFMORZ-LBPRGKRZSA-N 1 0 383.901 2.775 20 0 GFADRO COCC[C@@H](NC(=O)N(C)CCOCC[NH3+])c1ccc(Cl)c(Cl)c1 ZINC000627031839 565721054 /nfs/dbraw/zinc/72/10/54/565721054.db2.gz JVMBSMDAOLPIDP-OAHLLOKOSA-N 1 0 378.300 2.688 20 0 GFADRO O=C(Cc1cccc(Br)c1)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000670392108 565721378 /nfs/dbraw/zinc/72/13/78/565721378.db2.gz STIOVAIHNJUCQP-QGZVFWFLSA-N 1 0 381.314 2.705 20 0 GFADRO C[NH+](C)C1CC(NC(=O)[C@H]2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)C1 ZINC000670402014 565721586 /nfs/dbraw/zinc/72/15/86/565721586.db2.gz HUDSAMZACRBTCN-UYSNPLJNSA-N 1 0 384.307 2.807 20 0 GFADRO COc1cc(Br)ccc1[C@@H]1CCCN1C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000627094821 565721656 /nfs/dbraw/zinc/72/16/56/565721656.db2.gz MPVSUANERMQSNJ-KNCOVGOOSA-N 1 0 380.286 2.522 20 0 GFADRO O=C(Cc1ccccc1Br)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000670393454 565721654 /nfs/dbraw/zinc/72/16/54/565721654.db2.gz WWTROJLXTOCDSV-MRXNPFEDSA-N 1 0 381.314 2.705 20 0 GFADRO O=C(N[C@@H]1CC[NH2+]C12CCC2)N1CCN(c2ccc(Br)cc2)CC1 ZINC000627127100 565722833 /nfs/dbraw/zinc/72/28/33/565722833.db2.gz SFHTYWWXUKMWEV-MRXNPFEDSA-N 1 0 393.329 2.565 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)NCC/C=C\c2ccc(Br)cc2)CCCO1 ZINC000627122961 565722840 /nfs/dbraw/zinc/72/28/40/565722840.db2.gz MRIXOPOLTLSYOZ-YDOVZFOCSA-N 1 0 382.302 2.612 20 0 GFADRO C[N@@H+]1CCCC[C@H](CNC(=O)c2ccc(I)c(F)c2)C1 ZINC000600311203 565723421 /nfs/dbraw/zinc/72/34/21/565723421.db2.gz ALSBMVIKMMLHGY-LLVKDONJSA-N 1 0 390.240 2.892 20 0 GFADRO CC(C)N(Cc1ccc(Br)cc1)C(=O)NCC1([NH3+])CCOCC1 ZINC000627154402 565723738 /nfs/dbraw/zinc/72/37/38/565723738.db2.gz WOJJHZZSBBVQQW-UHFFFAOYSA-N 1 0 384.318 2.877 20 0 GFADRO CCOc1cc(Br)c(CC(=O)NC2CC([NH+](C)C)C2)cc1OCC ZINC000670446298 565724495 /nfs/dbraw/zinc/72/44/95/565724495.db2.gz ONICQDPECYUYBG-UHFFFAOYSA-N 1 0 399.329 2.998 20 0 GFADRO CCCN(C(=O)NC[C@H]1COCC[NH2+]1)[C@@H](C)c1ccccc1Br ZINC000627185037 565725163 /nfs/dbraw/zinc/72/51/63/565725163.db2.gz LMTGVKDTWIJWOG-KBPBESRZSA-N 1 0 384.318 2.920 20 0 GFADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)NCCc1ccc(Cl)cc1Cl ZINC000670494273 565725268 /nfs/dbraw/zinc/72/52/68/565725268.db2.gz IJHXSTIHCYSXFR-HNNXBMFYSA-N 1 0 386.323 2.643 20 0 GFADRO C[C@@H]1[C@H](C(=O)NC[C@@H]2CCN(c3ccc(Br)cc3)C2)CC[N@@H+]1C ZINC000648743227 565725915 /nfs/dbraw/zinc/72/59/15/565725915.db2.gz RTUDSWDGOZPUNY-JKIFEVAISA-N 1 0 380.330 2.732 20 0 GFADRO Cn1nc2cc(Br)ccc2c1C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000648784565 565729618 /nfs/dbraw/zinc/72/96/18/565729618.db2.gz WRTJYRPMZQOWSC-UHFFFAOYSA-N 1 0 377.286 2.646 20 0 GFADRO O=C(c1ccc2scc(Br)c2c1)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000627269231 565729857 /nfs/dbraw/zinc/72/98/57/565729857.db2.gz OSCHYDVWJSCIES-QWHCGFSZSA-N 1 0 395.322 2.945 20 0 GFADRO O=C(c1cc2cc(Br)ccc2s1)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000627272449 565731760 /nfs/dbraw/zinc/73/17/60/565731760.db2.gz OQMJTSIFRGSTOD-UONOGXRCSA-N 1 0 395.322 2.945 20 0 GFADRO Cc1cc(SCC(=O)NC[C@H]2C[NH2+]CCCO2)c(C)cc1Br ZINC000648825323 565732166 /nfs/dbraw/zinc/73/21/66/565732166.db2.gz UGKKXVGOMLJJJQ-CYBMUJFWSA-N 1 0 387.343 2.653 20 0 GFADRO Cc1cc(Br)c(F)c(C(=O)N(C)CCC[N@@H+](C)CCN(C)C)c1 ZINC000627321490 565732906 /nfs/dbraw/zinc/73/29/06/565732906.db2.gz PGMVZSIEZRAUJR-UHFFFAOYSA-N 1 0 388.325 2.852 20 0 GFADRO CSc1ccc(NC(=O)C(=O)NCC[N@H+](C)C(C)C)cc1Br ZINC000627341424 565734000 /nfs/dbraw/zinc/73/40/00/565734000.db2.gz IFHXLDQTZJOTOH-UHFFFAOYSA-N 1 0 388.331 2.566 20 0 GFADRO CN(C(=O)c1ccc(-n2cc(Br)cn2)cc1)[C@H]1C[NH+]2CCC1CC2 ZINC000600514202 565735115 /nfs/dbraw/zinc/73/51/15/565735115.db2.gz FKOOOTBRNDLKRZ-KRWDZBQOSA-N 1 0 389.297 2.801 20 0 GFADRO CC[N@H+](CCNC(=O)C[C@H](C)n1cc(Br)cn1)CCC(F)(F)F ZINC000648879385 565736166 /nfs/dbraw/zinc/73/61/66/565736166.db2.gz IPJZTIGFXYYZTH-NSHDSACASA-N 1 0 399.255 2.987 20 0 GFADRO C[N@@H+]1C[C@@H](CNC(=O)c2ncc(Br)s2)[C@H](c2ccccc2)C1 ZINC000649103404 565748750 /nfs/dbraw/zinc/74/87/50/565748750.db2.gz BJVQZYRCXXHUDD-OLZOCXBDSA-N 1 0 380.311 2.981 20 0 GFADRO CN([C@H]1CC[N@@H+](C2CC2)C1)S(=O)(=O)Cc1ccc(OC(F)(F)F)cc1 ZINC000600782647 565749408 /nfs/dbraw/zinc/74/94/08/565749408.db2.gz BLPJAZIUTHIKDE-AWEZNQCLSA-N 1 0 378.416 2.584 20 0 GFADRO COc1cc(Br)ccc1C(=O)N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000627739809 565749446 /nfs/dbraw/zinc/74/94/46/565749446.db2.gz RMHGBERBHQPRKT-UHFFFAOYSA-N 1 0 397.313 2.785 20 0 GFADRO C[C@H](C(=O)N1CCOC2(CC[NH+](C)CC2)C1)c1ccc(Br)cc1 ZINC000649131704 565749650 /nfs/dbraw/zinc/74/96/50/565749650.db2.gz XPBDONDNXSWSRQ-AWEZNQCLSA-N 1 0 381.314 2.876 20 0 GFADRO Cc1c(Br)ccc(C(=O)N2CCOC3(CC[NH+](C)CC3)C2)c1F ZINC000649129609 565749673 /nfs/dbraw/zinc/74/96/73/565749673.db2.gz CXNGJQZNIVFYNK-UHFFFAOYSA-N 1 0 385.277 2.833 20 0 GFADRO C[NH+]1CCC2(CC1)CN(C(=O)CCc1ccc(Br)cc1)CCO2 ZINC000649131824 565749725 /nfs/dbraw/zinc/74/97/25/565749725.db2.gz CCWIRQXADQYYDS-UHFFFAOYSA-N 1 0 381.314 2.705 20 0 GFADRO C[NH2+]C1(CNC(=O)c2ccc(I)c(Cl)c2)CCC1 ZINC000600823562 565751979 /nfs/dbraw/zinc/75/19/79/565751979.db2.gz GRFNVFKXSXXRMY-UHFFFAOYSA-N 1 0 378.641 2.817 20 0 GFADRO Cc1ccc(Br)c(NC(=O)C(=O)NC[C@@H]2CCCC[N@@H+](C)C2)c1 ZINC000627827099 565754822 /nfs/dbraw/zinc/75/48/22/565754822.db2.gz PYQHRGUCCIXMLV-ZDUSSCGKSA-N 1 0 382.302 2.544 20 0 GFADRO C[C@@H](CNC(=O)C(=O)NCCc1ccc(Cl)cc1Cl)C[NH+]1CCCC1 ZINC000671170717 565755125 /nfs/dbraw/zinc/75/51/25/565755125.db2.gz JLQVIPLHZMBUPO-ZDUSSCGKSA-N 1 0 386.323 2.500 20 0 GFADRO O=S(=O)(CCC(F)(F)F)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000671172920 565755467 /nfs/dbraw/zinc/75/54/67/565755467.db2.gz YOEQBLWLOBXHMF-UHFFFAOYSA-N 1 0 380.432 2.533 20 0 GFADRO O=C(Cc1csc(COc2ccc(Cl)cc2)n1)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000649363262 565759703 /nfs/dbraw/zinc/75/97/03/565759703.db2.gz MPBSOXJUJWFODL-STQMWFEESA-N 1 0 383.876 2.734 20 0 GFADRO O[C@H](COc1cc(F)cc(Br)c1)C[N@@H+]1CC[C@]2(C1)CCCOC2 ZINC000671255052 565759773 /nfs/dbraw/zinc/75/97/73/565759773.db2.gz YHJQWKQODCJQIX-RDJZCZTQSA-N 1 0 388.277 2.830 20 0 GFADRO CC[C@@H]1CN(Cc2csc(-c3ccc(S(C)(=O)=O)cc3)n2)CC[C@@H]1[NH3+] ZINC000649416735 565760999 /nfs/dbraw/zinc/76/09/99/565760999.db2.gz KCWOYPARGDOPFW-DYVFJYSZSA-N 1 0 379.551 2.773 20 0 GFADRO Cc1cccc(NC(=O)C(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)c1Br ZINC000627907443 565761801 /nfs/dbraw/zinc/76/18/01/565761801.db2.gz XHHYBVARUYIJHV-AWEZNQCLSA-N 1 0 394.313 2.829 20 0 GFADRO O=C1N[C@]2(CCSC2)C(=O)N1c1ccc(SCC[NH+]2CCCC2)cc1 ZINC000649519410 565764420 /nfs/dbraw/zinc/76/44/20/565764420.db2.gz BZAJKOBQIUZNHQ-SFHVURJKSA-N 1 0 377.535 2.806 20 0 GFADRO CC(C)(C)OC(=O)C(C)(C)CC[NH2+]Cc1ccc(Cl)c(S(N)(=O)=O)c1 ZINC000601128952 565768712 /nfs/dbraw/zinc/76/87/12/565768712.db2.gz HZNSSFUAVAHUMK-UHFFFAOYSA-N 1 0 390.933 2.835 20 0 GFADRO FC(F)(F)[C@@H](C[NH2+]Cc1ccc(I)cc1)n1cncn1 ZINC000601144132 565768740 /nfs/dbraw/zinc/76/87/40/565768740.db2.gz PLQIFUALIRNFSN-LLVKDONJSA-N 1 0 396.154 2.776 20 0 GFADRO O[C@@H](C[NH2+]C1(c2ccccc2Br)CCC1)COC[C@@H]1CCCO1 ZINC000649645849 565770604 /nfs/dbraw/zinc/77/06/04/565770604.db2.gz KNOCNGOCTYHPDS-GJZGRUSLSA-N 1 0 384.314 2.974 20 0 GFADRO COCC[N@@H+]1CCN(C[C@@H](O)COc2ccc(Cl)cc2Cl)C(C)(C)C1 ZINC000649848250 565781546 /nfs/dbraw/zinc/78/15/46/565781546.db2.gz JOJSOVHWOUKPMI-OAHLLOKOSA-N 1 0 391.339 2.776 20 0 GFADRO CN(CCC[NH2+][C@H](c1cccc(OC(F)(F)F)c1)C1CC1)S(C)(=O)=O ZINC000671740926 565784149 /nfs/dbraw/zinc/78/41/49/565784149.db2.gz BHWBEKDMPUYZTO-HNNXBMFYSA-N 1 0 380.432 2.907 20 0 GFADRO CCOc1c(Br)cc(C[N@H+](C)[C@@H]2CCC(=O)N(C)C2)cc1OC ZINC000628368004 565785514 /nfs/dbraw/zinc/78/55/14/565785514.db2.gz FTJAQZHKXAZYTF-CYBMUJFWSA-N 1 0 385.302 2.909 20 0 GFADRO COc1cc(C[N@H+](C)[C@]2(CO)CCOC2)cc(Br)c1OC(F)F ZINC000628366514 565785743 /nfs/dbraw/zinc/78/57/43/565785743.db2.gz QNQGIZXEKUUMTN-HNNXBMFYSA-N 1 0 396.228 2.642 20 0 GFADRO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N[C@@H]1CCSc2ccc(Cl)cc21 ZINC000671932416 565791120 /nfs/dbraw/zinc/79/11/20/565791120.db2.gz IIGAJNLMGHYAPC-SWLSCSKDSA-N 1 0 383.945 2.840 20 0 GFADRO CC[NH+](CC)CCN(C(=O)C[C@@H]1CCOC1)c1ccc(Br)cn1 ZINC000649988853 565791444 /nfs/dbraw/zinc/79/14/44/565791444.db2.gz OZMGRYALFZOWEW-AWEZNQCLSA-N 1 0 384.318 2.946 20 0 GFADRO CC[N@@H+]1CCN(C(=O)c2cc(=O)[nH]c3ccc(Br)cc32)[C@@H](C)C1 ZINC000672190229 565797660 /nfs/dbraw/zinc/79/76/60/565797660.db2.gz PZRRQSADRVLIIN-NSHDSACASA-N 1 0 378.270 2.869 20 0 GFADRO CCC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(=O)c2cc(Br)ccc2[nH]1 ZINC000672321175 565802206 /nfs/dbraw/zinc/80/22/06/565802206.db2.gz PCULJAQSVKGABA-ZDUSSCGKSA-N 1 0 392.297 2.895 20 0 GFADRO Cn1nc2cc(Br)ccc2c1C(=O)NC[C@H]1CCCC[N@H+](C)C1 ZINC000628756673 565806639 /nfs/dbraw/zinc/80/66/39/565806639.db2.gz WSIWGRABJOQHSM-GFCCVEGCSA-N 1 0 379.302 2.798 20 0 GFADRO C[NH+](C)C[C@H](NC(=O)c1nnn(C(C)(C)C)n1)c1ccc(Cl)c(Cl)c1 ZINC000628968265 565817133 /nfs/dbraw/zinc/81/71/33/565817133.db2.gz FWEXHOPESGBUHG-ZDUSSCGKSA-N 1 0 385.299 2.768 20 0 GFADRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2cnc3ncc(Br)cc3c2)C1 ZINC000672896251 565821718 /nfs/dbraw/zinc/82/17/18/565821718.db2.gz VGXOVONBPUPEAG-LRDDRELGSA-N 1 0 389.297 2.949 20 0 GFADRO Cn1ccnc1[C@@H]1CCN(C(=O)c2cnc3ncc(Br)cc3c2)C1 ZINC000672909299 565821983 /nfs/dbraw/zinc/82/19/83/565821983.db2.gz SRFPSUIPEFJJLS-LLVKDONJSA-N 1 0 386.253 2.756 20 0 GFADRO C[N@@H+]1CC[C@H]2CCN(C(=O)c3cnc4ncc(Br)cc4c3)[C@@H]2C1 ZINC000672939221 565822943 /nfs/dbraw/zinc/82/29/43/565822943.db2.gz PLTWNKGZKPHTNU-XHDPSFHLSA-N 1 0 375.270 2.559 20 0 GFADRO CC(C)C[C@@H](Cc1cccc(Br)c1)C(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000629173560 565827202 /nfs/dbraw/zinc/82/72/02/565827202.db2.gz QIIOXFZKRJWVEA-FUHWJXTLSA-N 1 0 397.357 2.837 20 0 GFADRO O=C(NCC[N@H+]1CC[C@@H](O)C1)C1(c2cccc(Br)c2)CCCCC1 ZINC000629174349 565827443 /nfs/dbraw/zinc/82/74/43/565827443.db2.gz XLGFWTMUBDHQKU-QGZVFWFLSA-N 1 0 395.341 2.834 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(Cc3cnc4ccc(Br)cn34)C2)C1 ZINC000650706357 565832511 /nfs/dbraw/zinc/83/25/11/565832511.db2.gz JCFWHUYTAUWTAI-LXZKKBNFSA-N 1 0 393.329 2.815 20 0 GFADRO CCO[C@@H]1CN(Cc2ccc(OC(F)F)c(Br)c2)C[C@H]1C[NH3+] ZINC000650714596 565832792 /nfs/dbraw/zinc/83/27/92/565832792.db2.gz QXFWVRNCVIZAOL-BXUZGUMPSA-N 1 0 379.245 2.846 20 0 GFADRO Cc1c2cc(Br)ccc2oc1C(=O)N[C@@H](CO)C[NH+]1CCCC1 ZINC000673530592 565839065 /nfs/dbraw/zinc/83/90/65/565839065.db2.gz IWEMQJXHQSUMDP-CYBMUJFWSA-N 1 0 381.270 2.690 20 0 GFADRO CC(C)c1nc(S(=O)(=O)NCC2CC[NH+](Cc3cccs3)CC2)c[nH]1 ZINC000673821380 565847679 /nfs/dbraw/zinc/84/76/79/565847679.db2.gz TWJSWIOPHOMWLP-UHFFFAOYSA-N 1 0 382.555 2.785 20 0 GFADRO C[S@](=O)C1(C(=O)NCC(C)(C)c2c(Cl)cccc2Cl)CC[NH2+]CC1 ZINC000602452099 565848713 /nfs/dbraw/zinc/84/87/13/565848713.db2.gz GBALSNPRGSUQLL-DEOSSOPVSA-N 1 0 391.364 2.888 20 0 GFADRO C[S@@](=O)C1(C(=O)NCC(C)(C)c2ccc(Cl)c(Cl)c2)CC[NH2+]CC1 ZINC000602448247 565849065 /nfs/dbraw/zinc/84/90/65/565849065.db2.gz HTOITBKFTMSQOJ-XMMPIXPASA-N 1 0 391.364 2.888 20 0 GFADRO CNC(=O)CC1CC[NH+](C[C@H](O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000673856367 565850540 /nfs/dbraw/zinc/85/05/40/565850540.db2.gz PVHZZVUJZIONCQ-ZDUSSCGKSA-N 1 0 375.296 2.581 20 0 GFADRO CC(C)C[N@H+](C)CCCNC(=O)N[C@H](CO)c1ccc(Br)cc1 ZINC000651194005 565850555 /nfs/dbraw/zinc/85/05/55/565850555.db2.gz PSTGVYKMJVVURA-MRXNPFEDSA-N 1 0 386.334 2.760 20 0 GFADRO CC[NH+]1CCN([C@@H](C)CNc2ncnc3cc(Br)sc32)CC1 ZINC000651297853 565854002 /nfs/dbraw/zinc/85/40/02/565854002.db2.gz DYZVYEREJXXBKW-NSHDSACASA-N 1 0 384.347 2.892 20 0 GFADRO CCn1c(CC[NH3+])nnc1Sc1ncnc2cc(Br)sc21 ZINC000651324196 565856457 /nfs/dbraw/zinc/85/64/57/565856457.db2.gz WVGHZFUKJSZOGM-UHFFFAOYSA-N 1 0 385.316 2.718 20 0 GFADRO C[C@@H](CNC(=O)N[C@H]1CC[N@H+](CC2CC2)C1)Oc1ccccc1Br ZINC000674031693 565856913 /nfs/dbraw/zinc/85/69/13/565856913.db2.gz DSWWXDJVYGBGTL-ZFWWWQNUSA-N 1 0 396.329 3.000 20 0 GFADRO CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)N[C@H]1CC[C@H]([NH3+])CC1 ZINC000602604359 565857278 /nfs/dbraw/zinc/85/72/78/565857278.db2.gz MDBSQDFCPJGGAG-XEZPLFJOSA-N 1 0 383.945 2.578 20 0 GFADRO Cc1ccc(S(=O)(=O)CCCN2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1 ZINC000629561916 565859602 /nfs/dbraw/zinc/85/96/02/565859602.db2.gz KLYMXOJNJBCENQ-GDBMZVCRSA-N 1 0 378.460 2.618 20 0 GFADRO COC(=O)c1[nH]c(C[NH2+][C@](C)(CO)c2ccc(Br)cc2)cc1C ZINC000602660625 565860561 /nfs/dbraw/zinc/86/05/61/565860561.db2.gz GUCOBFIWSZIIIL-QGZVFWFLSA-N 1 0 381.270 2.870 20 0 GFADRO CC(C)C[N@H+](C)CCCNc1cnn(-c2ccccn2)c(=O)c1Br ZINC000651363488 565860790 /nfs/dbraw/zinc/86/07/90/565860790.db2.gz YLXMFRBZQFZZOY-UHFFFAOYSA-N 1 0 394.317 2.780 20 0 GFADRO COc1ncc(Br)cc1C[NH2+]C[C@@H](O)COCc1ccccc1 ZINC000629592629 565861603 /nfs/dbraw/zinc/86/16/03/565861603.db2.gz AAVTWOURGZWXBI-MRXNPFEDSA-N 1 0 381.270 2.520 20 0 GFADRO Cc1ccc(Cl)c(OC[C@H](O)C[NH2+]C[C@@H](n2cccn2)C(F)(F)F)c1 ZINC000629599073 565863022 /nfs/dbraw/zinc/86/30/22/565863022.db2.gz MXEQTOAVEMACOV-IUODEOHRSA-N 1 0 377.794 2.978 20 0 GFADRO C[C@@H](C(=O)Nc1cccc(C(=O)Nc2ccc(Br)cn2)c1)[NH+](C)C ZINC000674264350 565865511 /nfs/dbraw/zinc/86/55/11/565865511.db2.gz UZAIGDNCRZBASW-NSHDSACASA-N 1 0 391.269 2.985 20 0 GFADRO O=C1[C@@H]([NH2+]Cc2ccc(I)s2)CCN1C1CCC1 ZINC000602730564 565866032 /nfs/dbraw/zinc/86/60/32/565866032.db2.gz PYPLGZOLUHCGTQ-NSHDSACASA-N 1 0 376.263 2.596 20 0 GFADRO C[NH+](C)C1(CNC(=O)c2cc(=O)c3cc(Br)ccc3[nH]2)CCCC1 ZINC000602751997 565866731 /nfs/dbraw/zinc/86/67/31/565866731.db2.gz VZIHDUSBRCYTMP-UHFFFAOYSA-N 1 0 392.297 2.895 20 0 GFADRO CC[C@@H](C[NH+]1CCCC1)NS(=O)(=O)c1cc(Br)c(F)cc1F ZINC000674346206 565870241 /nfs/dbraw/zinc/87/02/41/565870241.db2.gz JQZWJKUHEODCCL-JTQLQIEISA-N 1 0 397.285 2.880 20 0 GFADRO COC(=O)[C@@H]1C[N@H+](CCc2cnccn2)C[C@H]1c1ccc(Br)cc1 ZINC000602845535 565870278 /nfs/dbraw/zinc/87/02/78/565870278.db2.gz JONZXKCRCULGLD-DLBZAZTESA-N 1 0 390.281 2.670 20 0 GFADRO COCC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)Cc1cc(Cl)sc1Cl ZINC000651548226 565871241 /nfs/dbraw/zinc/87/12/41/565871241.db2.gz RRTVMQGKPOLZTR-LLVKDONJSA-N 1 0 387.354 2.585 20 0 GFADRO COC(=O)c1cc(NC(=O)NCC2([NH+](C)C)CC2)c(Br)cc1F ZINC000602859649 565871543 /nfs/dbraw/zinc/87/15/43/565871543.db2.gz DYQNODIBVVRMBV-UHFFFAOYSA-N 1 0 388.237 2.591 20 0 GFADRO C[C@H](Sc1ccnc2cc(Cl)ccc21)C(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000629913317 565875518 /nfs/dbraw/zinc/87/55/18/565875518.db2.gz CECKIYSSPIGJEM-JSGCOSHPSA-N 1 0 379.913 2.552 20 0 GFADRO C[N@H+](CC(=O)NCc1nnc2c(Cl)cc(C(F)(F)F)cn12)C1CCC1 ZINC000629945052 565876938 /nfs/dbraw/zinc/87/69/38/565876938.db2.gz ABDAZSJSGFTMPJ-UHFFFAOYSA-N 1 0 375.782 2.502 20 0 GFADRO O[C@H](C[N@@H+]1CCC[C@@H]1c1ccc(Br)cc1)CC1(O)CCOCC1 ZINC000630041687 565880711 /nfs/dbraw/zinc/88/07/11/565880711.db2.gz RVIZYGCYAVNVMX-DLBZAZTESA-N 1 0 384.314 2.879 20 0 GFADRO CC(C)(C[NH2+][C@@H]1CCN(c2cccc(Br)c2)C1)N1CCOCC1 ZINC000674876616 565886914 /nfs/dbraw/zinc/88/69/14/565886914.db2.gz APFWVTKEDQZANK-MRXNPFEDSA-N 1 0 382.346 2.728 20 0 GFADRO [NH3+]CCSCc1cn(Cc2nnc(-c3ccc(Cl)cc3Cl)o2)nn1 ZINC000603212433 565889988 /nfs/dbraw/zinc/88/99/88/565889988.db2.gz ZBNAWZGLYVEEQT-UHFFFAOYSA-N 1 0 385.280 2.875 20 0 GFADRO [NH3+]CCSCc1cn(Cc2ncc(-c3cccc(Br)c3)o2)nn1 ZINC000603225610 565891432 /nfs/dbraw/zinc/89/14/32/565891432.db2.gz CFZKADCPXYODDK-UHFFFAOYSA-N 1 0 394.298 2.936 20 0 GFADRO OCCCOC1CC[NH+](C[C@H](O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000675040992 565891425 /nfs/dbraw/zinc/89/14/25/565891425.db2.gz SXDRPFXDWUCKKF-ZDUSSCGKSA-N 1 0 378.296 2.597 20 0 GFADRO CC[C@H](C[NH+]1CCCC1)NC(=O)Nc1ccc(NS(C)(=O)=O)c(Cl)c1 ZINC000675162785 565893823 /nfs/dbraw/zinc/89/38/23/565893823.db2.gz AZUFKLNHTGXFIA-GFCCVEGCSA-N 1 0 388.921 2.707 20 0 GFADRO COc1cnc(N2CCC([NH2+]C(C)C)CC2)c(I)c1 ZINC000603286808 565894648 /nfs/dbraw/zinc/89/46/48/565894648.db2.gz MRPFFNAHQSAZKH-UHFFFAOYSA-N 1 0 375.254 2.662 20 0 GFADRO CN(CCCC[NH+]1CCCCC1)C(=O)c1cc(I)c[nH]1 ZINC000603405641 565903816 /nfs/dbraw/zinc/90/38/16/565903816.db2.gz BZNHOZSNWFUCBZ-UHFFFAOYSA-N 1 0 389.281 2.957 20 0 GFADRO CO[C@@H]1CN(C(=O)Cc2csc(-c3ccccc3Cl)n2)[C@](C)(C[NH3+])C1 ZINC000630371326 565896725 /nfs/dbraw/zinc/89/67/25/565896725.db2.gz KQFXDCSPHKLADX-UGSOOPFHSA-N 1 0 379.913 2.971 20 0 GFADRO CS(=O)(=O)Nc1cccc(C[NH2+]CCOc2ncc(Cl)cc2Cl)c1 ZINC000675552343 565909256 /nfs/dbraw/zinc/90/92/56/565909256.db2.gz KDISQHWRYJORQQ-UHFFFAOYSA-N 1 0 390.292 2.929 20 0 GFADRO CN(C)c1ncc(Br)cc1C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000603543898 565910283 /nfs/dbraw/zinc/91/02/83/565910283.db2.gz DUPOQHOGWJULRH-UHFFFAOYSA-N 1 0 383.334 2.949 20 0 GFADRO CC[C@@H](C[NH+]1CCCC1)NS(=O)(=O)Cc1ccc(Br)cc1 ZINC000675757458 565914471 /nfs/dbraw/zinc/91/44/71/565914471.db2.gz JAKIZOSSCJKWOY-HNNXBMFYSA-N 1 0 375.332 2.743 20 0 GFADRO C[N@@H+]1CCCN(CCCNC(=O)[C@H]2C[C@H]2c2cccc(Br)c2)CC1 ZINC000603812547 565915417 /nfs/dbraw/zinc/91/54/17/565915417.db2.gz VEWDPBBDMMOEAX-ROUUACIJSA-N 1 0 394.357 2.696 20 0 GFADRO O=C(CCCc1ccccc1Br)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000675785911 565916402 /nfs/dbraw/zinc/91/64/02/565916402.db2.gz KBPLXOADHLIVIC-MSOLQXFVSA-N 1 0 395.341 2.829 20 0 GFADRO C[C@H](C(=O)NCC(=O)Nc1ccc(Br)cc1)[NH+]1CCCCCC1 ZINC000603829249 565916576 /nfs/dbraw/zinc/91/65/76/565916576.db2.gz QDTBZDOPVHKEEC-CYBMUJFWSA-N 1 0 382.302 2.768 20 0 GFADRO CO[C@@H](c1ccc(Br)cc1)[C@H](C)NC(=O)NCCC1(C[NH3+])CC1 ZINC000652176052 565918888 /nfs/dbraw/zinc/91/88/88/565918888.db2.gz UECPXRWRESQBLA-SWLSCSKDSA-N 1 0 384.318 2.953 20 0 GFADRO C[NH2+]Cc1ccccc1CNC(=O)N[C@H](CO)c1cccc(Br)c1 ZINC000652288056 565920747 /nfs/dbraw/zinc/92/07/47/565920747.db2.gz RTHNIRZTTXPIBS-QGZVFWFLSA-N 1 0 392.297 2.701 20 0 GFADRO CN1CCC([N@@H+]2CC[C@H](NC(=O)NCc3ccc(Cl)cc3Cl)C2)CC1 ZINC000604157038 565924146 /nfs/dbraw/zinc/92/41/46/565924146.db2.gz PZIASNCVPIYQNE-HNNXBMFYSA-N 1 0 385.339 2.961 20 0 GFADRO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCN(S(=O)(=O)c3csc4ccccc43)C2)C1 ZINC000652373858 565924296 /nfs/dbraw/zinc/92/42/96/565924296.db2.gz BWMXVVCIHQIYJA-SQWLQELKSA-N 1 0 380.535 2.808 20 0 GFADRO CCO[C@@H]1CN(CC(=O)Nc2ccc(Cl)cc2C(F)(F)F)C[C@H]1C[NH3+] ZINC000652358506 565924624 /nfs/dbraw/zinc/92/46/24/565924624.db2.gz NHEHTXSAZBGNRK-QMTHXVAHSA-N 1 0 379.810 2.593 20 0 GFADRO O=C(c1ccc2cncc(Br)c2n1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000630899185 565926142 /nfs/dbraw/zinc/92/61/42/565926142.db2.gz IIYBEBTWTGLWFA-CYBMUJFWSA-N 1 0 375.270 2.703 20 0 GFADRO Cc1ccc(NC(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)cc1Br ZINC000604612555 565934185 /nfs/dbraw/zinc/93/41/85/565934185.db2.gz BRAOKJMNWHWHMM-CVEARBPZSA-N 1 0 382.302 2.820 20 0 GFADRO CCO[C@@H]1CN(C(=O)Nc2cc3c(cc2Br)CCC3)C[C@H]1C[NH3+] ZINC000652599512 565934726 /nfs/dbraw/zinc/93/47/26/565934726.db2.gz GAYKYKXSQFJNBX-CZUORRHYSA-N 1 0 382.302 2.765 20 0 GFADRO COc1cc(CNCCC[NH+]2CCC(O)CC2)c(F)cc1Br ZINC000631049483 565935207 /nfs/dbraw/zinc/93/52/07/565935207.db2.gz HVSQFGQSIXDKPR-UHFFFAOYSA-N 1 0 375.282 2.533 20 0 GFADRO COc1cc(C[NH2+]CCC(=O)NCc2cccnc2)c(F)cc1Br ZINC000631053773 565936580 /nfs/dbraw/zinc/93/65/80/565936580.db2.gz WXHPZXCCFPKYGM-UHFFFAOYSA-N 1 0 396.260 2.788 20 0 GFADRO CC(=O)N[C@H](C)c1ccc(S(=O)(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)s1 ZINC000604770869 565936936 /nfs/dbraw/zinc/93/69/36/565936936.db2.gz BPYDELMAYSRXRO-DOMZBBRYSA-N 1 0 389.587 2.590 20 0 GFADRO O=C(NCCC1CC[NH2+]CC1)C(=O)Nc1cccc(Br)c1Cl ZINC000652642929 565937527 /nfs/dbraw/zinc/93/75/27/565937527.db2.gz QDIWOLJZPXZDOZ-UHFFFAOYSA-N 1 0 388.693 2.547 20 0 GFADRO OC[C@H]1CCN(Cc2ccccc2)C[C@@H]1[NH2+]Cc1ccncc1Br ZINC000631075073 565938221 /nfs/dbraw/zinc/93/82/21/565938221.db2.gz AGQSGVAYIWHPIC-MJGOQNOKSA-N 1 0 390.325 2.817 20 0 GFADRO O=S(=O)(C1CC1)N1CCC([NH2+]Cc2ccccc2CC(F)(F)F)CC1 ZINC000631087123 565939739 /nfs/dbraw/zinc/93/97/39/565939739.db2.gz NAXOCKWWGNOEDO-UHFFFAOYSA-N 1 0 376.444 2.838 20 0 GFADRO CC[N@@H+]1CCCC[C@H]1CNc1cccc(OC(F)(F)F)c1S(N)(=O)=O ZINC000631114357 565942888 /nfs/dbraw/zinc/94/28/88/565942888.db2.gz CKCLWMAKGDGWFN-NSHDSACASA-N 1 0 381.420 2.519 20 0 GFADRO Brc1ccccc1CC1([NH2+]Cc2cn(C[C@@H]3CCOC3)nn2)CC1 ZINC000631142886 565944438 /nfs/dbraw/zinc/94/44/38/565944438.db2.gz PWBLHEYDSILINP-AWEZNQCLSA-N 1 0 391.313 2.942 20 0 GFADRO CCc1n[nH]c(C(=O)N2CCN(C)C[C@@H]2Cc2ccccc2)c1Br ZINC000652882472 565944740 /nfs/dbraw/zinc/94/47/40/565944740.db2.gz UHTLLYXZKMECDF-AWEZNQCLSA-N 1 0 391.313 2.734 20 0 GFADRO CCCOc1c(Br)cc(C[NH2+][C@@](C)(CO)COC)cc1OC ZINC000631203546 565948713 /nfs/dbraw/zinc/94/87/13/565948713.db2.gz CTQZEQXRDDKEGC-INIZCTEOSA-N 1 0 376.291 2.734 20 0 GFADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)c1cccc2c(Br)cccc12 ZINC000631229309 565949690 /nfs/dbraw/zinc/94/96/90/565949690.db2.gz JRDJZAVHJRDQIL-CYBMUJFWSA-N 1 0 376.298 2.578 20 0 GFADRO C[C@@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH2+][C@@H]1COCC[C@H]1O ZINC000631272485 565952222 /nfs/dbraw/zinc/95/22/22/565952222.db2.gz ZAGUQRGSEJMRGA-CUOATXAZSA-N 1 0 380.794 2.815 20 0 GFADRO C[NH+](C)C1(CNC(=O)[C@H]2[C@@H]3c4ccc(Br)cc4C[C@H]23)CCOCC1 ZINC000631308503 565953141 /nfs/dbraw/zinc/95/31/41/565953141.db2.gz RWYYXCSNPKWXHD-GVDBMIGSSA-N 1 0 393.325 2.562 20 0 GFADRO O[C@H](COc1ccc(Cl)c(Cl)c1)C[N@@H+]1CCC[C@H](Cn2ccnn2)C1 ZINC000676899682 565954851 /nfs/dbraw/zinc/95/48/51/565954851.db2.gz DJLMJYNAUNEVGK-KBPBESRZSA-N 1 0 385.295 2.737 20 0 GFADRO O=C(Nc1cnc2c(c1)C[NH2+]CC2)[C@@H]1CCOc2ccc(Br)cc21 ZINC000653128076 565955171 /nfs/dbraw/zinc/95/51/71/565955171.db2.gz MHOQQYKWGNBIIX-CQSZACIVSA-N 1 0 388.265 2.995 20 0 GFADRO COc1cc(Br)ccc1C(=O)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000653187390 565958406 /nfs/dbraw/zinc/95/84/06/565958406.db2.gz XTFPRAKGDICJHV-DUVNUKRYSA-N 1 0 397.313 2.816 20 0 GFADRO C[NH+](C)[C@]1(CNC(=O)C(C)(C)c2cccc(C(F)(F)F)n2)CCSC1 ZINC000631618105 565963172 /nfs/dbraw/zinc/96/31/72/565963172.db2.gz FZDTYNXRPOCXCY-INIZCTEOSA-N 1 0 375.460 2.932 20 0 GFADRO CC[N@@H+]1CCN(C(=O)c2cc(=O)[nH]c3c(Br)cccc23)C[C@H]1C ZINC000677189703 565964266 /nfs/dbraw/zinc/96/42/66/565964266.db2.gz BNRGMXJETPMJRM-LLVKDONJSA-N 1 0 378.270 2.869 20 0 GFADRO O=S(=O)(NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1cncc(Cl)c1 ZINC000677239489 565965270 /nfs/dbraw/zinc/96/52/70/565965270.db2.gz SWNPLVPWJAUPLX-INIZCTEOSA-N 1 0 379.913 2.926 20 0 GFADRO COC1CC[NH+](CCNC(=O)[C@@H]2C[C@@]2(C)c2cccc(Br)c2)CC1 ZINC000631671884 565965815 /nfs/dbraw/zinc/96/58/15/565965815.db2.gz IMGQFDYIDQNBSC-HKUYNNGSSA-N 1 0 395.341 2.954 20 0 GFADRO C[C@@H]([NH2+][C@H](CCO)c1ccc(Cl)c(F)c1)c1ccc(S(N)(=O)=O)cc1 ZINC000631660423 565965832 /nfs/dbraw/zinc/96/58/32/565965832.db2.gz PJCCJUOSPOZHCK-PIGZYNQJSA-N 1 0 386.876 2.901 20 0 GFADRO CN1CCN(S(=O)(=O)c2onc(C3CC3)c2Cl)[C@@H](c2ccccc2)C1 ZINC000631677707 565967689 /nfs/dbraw/zinc/96/76/89/565967689.db2.gz CWSFNBTYMXTQLA-CQSZACIVSA-N 1 0 381.885 2.883 20 0 GFADRO O=C(NCc1n[nH]cc1Br)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000606695265 565969561 /nfs/dbraw/zinc/96/95/61/565969561.db2.gz MDJBTNDRMZUPPS-UHFFFAOYSA-N 1 0 398.349 2.970 20 0 GFADRO CO[C@H](C(=O)Nc1cnn(CC[NH+](C)C)c1)c1ccccc1Br ZINC000653615022 565973589 /nfs/dbraw/zinc/97/35/89/565973589.db2.gz WRBGPLNNHPITAN-HNNXBMFYSA-N 1 0 381.274 2.533 20 0 GFADRO C[C@@H](NC(=O)[C@H](C)N1CCC([NH2+]CCO)CC1)c1ccc(Cl)cc1Cl ZINC000631865648 565978909 /nfs/dbraw/zinc/97/89/09/565978909.db2.gz FJLCUGJJNZEKCI-OLZOCXBDSA-N 1 0 388.339 2.605 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)N(C)Cc2c(F)cccc2Cl)C[C@@H]1C ZINC000607161330 565979623 /nfs/dbraw/zinc/97/96/23/565979623.db2.gz QFWSYJMMUGEIMJ-KBPBESRZSA-N 1 0 391.940 2.960 20 0 GFADRO [NH3+]C[C@@H]1CCCCN1S(=O)(=O)c1cnc2c(Br)csc2c1 ZINC000631902519 565982252 /nfs/dbraw/zinc/98/22/52/565982252.db2.gz KGYFDSJHWZZPRU-VIFPVBQESA-N 1 0 390.328 2.561 20 0 GFADRO C[NH2+]C[C@@H]1C[C@H](F)CN1S(=O)(=O)c1ccc(C(F)(F)C(F)(F)F)cc1 ZINC000631936829 565984750 /nfs/dbraw/zinc/98/47/50/565984750.db2.gz NAVSKNSDXPIVCH-QWRGUYRKSA-N 1 0 390.349 2.661 20 0 GFADRO O=C1C[C@H]([C@@H]2CCCC[N@H+]2C[C@@H](O)COc2ccc(Cl)c(Cl)c2)CN1 ZINC000677903857 565986894 /nfs/dbraw/zinc/98/68/94/565986894.db2.gz ZUURNUBWBOLYAF-AHIWAGSCSA-N 1 0 387.307 2.724 20 0 GFADRO Cc1nc(-c2ccc(S(=O)(=O)N3CCC[C@@H]4C[NH2+]CC[C@@H]43)s2)cs1 ZINC000631995046 565989648 /nfs/dbraw/zinc/98/96/48/565989648.db2.gz XEOFUNJYFSRDEG-OCCSQVGLSA-N 1 0 383.564 2.943 20 0 GFADRO O=S(=O)(c1cccc(Cl)c1Br)N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631992704 565990150 /nfs/dbraw/zinc/99/01/50/565990150.db2.gz FCQYHCBFZIHKMG-ZYHUDNBSSA-N 1 0 393.734 2.865 20 0 GFADRO C[C@H](c1ccccc1Br)N1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000678083288 565998814 /nfs/dbraw/zinc/99/88/14/565998814.db2.gz ZHVUYAFQCJIYHG-CXAGYDPISA-N 1 0 380.330 2.924 20 0 GFADRO O=S(=O)(c1onc(C2CC2)c1Cl)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000632128023 566001221 /nfs/dbraw/zinc/00/12/21/566001221.db2.gz NYXWFAIDRVGUIG-JSGCOSHPSA-N 1 0 385.917 2.843 20 0 GFADRO COc1ccc(Br)c(CN2CCN([C@@H]3CCC[N@H+](C)C3)CC2)c1 ZINC000678258928 566004176 /nfs/dbraw/zinc/00/41/76/566004176.db2.gz RZWSYVTUGNLUFR-MRXNPFEDSA-N 1 0 382.346 2.670 20 0 GFADRO COCC[N@@H+]1CCC[C@@H](NC(=O)[C@H](C)c2ccc(Br)s2)C1 ZINC000608128715 566004720 /nfs/dbraw/zinc/00/47/20/566004720.db2.gz DAVZBAXXCSBQIU-VXGBXAGGSA-N 1 0 375.332 2.841 20 0 GFADRO COc1c(Br)cc(CN2C[C@H]3C[NH2+]C[C@@H]3C2)cc1Br ZINC000678342792 566007252 /nfs/dbraw/zinc/00/72/52/566007252.db2.gz IGSOOONFLMEELL-GHMZBOCLSA-N 1 0 390.119 2.871 20 0 GFADRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)N[C@H]2CCOc3ccc(Br)cc32)C1 ZINC000654398006 566008444 /nfs/dbraw/zinc/00/84/44/566008444.db2.gz LNKWNCBFYVZKEV-LNSITVRQSA-N 1 0 382.302 2.912 20 0 GFADRO C[C@H]1C[C@@H](NC(=O)N2CCOc3cccc(Br)c3C2)C[N@@H+]1C1CC1 ZINC000654481859 566011564 /nfs/dbraw/zinc/01/15/64/566011564.db2.gz QHHXIOSQIFLTFB-QWHCGFSZSA-N 1 0 394.313 2.978 20 0 GFADRO C[C@@H]([NH2+][C@H](CO)c1cccc(Br)c1)c1cccc(-n2cnnn2)c1 ZINC000678598357 566013697 /nfs/dbraw/zinc/01/36/97/566013697.db2.gz GFDOMRQQCVNILA-SJKOYZFVSA-N 1 0 388.269 2.809 20 0 GFADRO CC[C@H]([NH2+]C[C@H]1CCCN1S(C)(=O)=O)c1ccccc1Br ZINC000678605521 566014453 /nfs/dbraw/zinc/01/44/53/566014453.db2.gz OYKNWAIXLZHHPV-DOMZBBRYSA-N 1 0 375.332 2.914 20 0 GFADRO O=C(N[C@H](c1c(Cl)cccc1Cl)C1CC1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000654566833 566016050 /nfs/dbraw/zinc/01/60/50/566016050.db2.gz PDJCGLAIVHNWNA-AHIWAGSCSA-N 1 0 384.307 2.905 20 0 GFADRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)NC(C)(C)COc2ncccc2Br)C1 ZINC000654662624 566018859 /nfs/dbraw/zinc/01/88/59/566018859.db2.gz WMAGROPJVHVURD-BETUJISGSA-N 1 0 399.333 2.641 20 0 GFADRO CC(C)[C@H]([NH2+]CC(=O)Nc1ccccc1Br)C(=O)N1CCCC1 ZINC000678777403 566020594 /nfs/dbraw/zinc/02/05/94/566020594.db2.gz OLHKOPPVAMCRHS-INIZCTEOSA-N 1 0 382.302 2.624 20 0 GFADRO C[C@H](Oc1ccc(Cl)cc1Br)C(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000654834123 566025092 /nfs/dbraw/zinc/02/50/92/566025092.db2.gz UVINXDYNZOBQMQ-TUAOUCFPSA-N 1 0 387.705 2.938 20 0 GFADRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)Nc2cc(Cl)cc(C(F)(F)F)c2)C1 ZINC000654888875 566028029 /nfs/dbraw/zinc/02/80/29/566028029.db2.gz ZMCYALJOCQPNNI-SWZMTVOYSA-N 1 0 377.794 2.754 20 0 GFADRO NC(=O)C[C@H]1CCCC[N@@H+]1Cc1cc2c(cc1Br)OCCCO2 ZINC000679129012 566030312 /nfs/dbraw/zinc/03/03/12/566030312.db2.gz CNTCWRMVTRCDKH-CYBMUJFWSA-N 1 0 383.286 2.840 20 0 GFADRO O=C(Nc1cccc(Br)c1)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000654945919 566031987 /nfs/dbraw/zinc/03/19/87/566031987.db2.gz HEUNPLQWWHSQBO-LSDHHAIUSA-N 1 0 380.286 2.521 20 0 GFADRO CC[NH+](CC)CC[C@H](CO)NC(=O)c1ccc(Br)cc1SC ZINC000655049332 566037675 /nfs/dbraw/zinc/03/76/75/566037675.db2.gz FJRMVZQQPGORLE-CYBMUJFWSA-N 1 0 389.359 2.994 20 0 GFADRO CN(C(=O)c1ccc(I)c(F)c1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000609509397 566041576 /nfs/dbraw/zinc/04/15/76/566041576.db2.gz XDHIUAPWWCKIMY-GFCCVEGCSA-N 1 0 388.224 2.739 20 0 GFADRO C[N@@H+]1CC[C@H](C(=O)N2CCC[C@@H]2c2ccccc2I)C1 ZINC000609610209 566046063 /nfs/dbraw/zinc/04/60/63/566046063.db2.gz TWVPYVNOSCUHIW-SWLSCSKDSA-N 1 0 384.261 2.906 20 0 GFADRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C1 ZINC000655247096 566049616 /nfs/dbraw/zinc/04/96/16/566049616.db2.gz SDFFORQKOBUSBN-KWCYVHTRSA-N 1 0 384.307 2.803 20 0 GFADRO CNC(=O)CC[N@H+](C)CCCC(=O)Nc1c(C)cc(Br)cc1C ZINC000679817977 566054015 /nfs/dbraw/zinc/05/40/15/566054015.db2.gz PGULLWLSRHWBFL-UHFFFAOYSA-N 1 0 384.318 2.853 20 0 GFADRO COc1ccccc1[C@@H]([NH3+])CNC(=O)[C@H](OC)c1ccccc1Br ZINC000655412398 566055898 /nfs/dbraw/zinc/05/58/98/566055898.db2.gz RMCSPYUIDLGXRB-DOTOQJQBSA-N 1 0 393.281 2.961 20 0 GFADRO O=C([C@@H]1C[C@]12CCC[NH2+]C2)N1CCO[C@H](c2cccc(Br)c2)C1 ZINC000655431230 566056111 /nfs/dbraw/zinc/05/61/11/566056111.db2.gz YIHBIKDCBUUTBB-BQFCYCMXSA-N 1 0 379.298 2.739 20 0 GFADRO O=C(N[C@@H]1CCN(c2ccccc2Br)C1)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC000655447599 566056953 /nfs/dbraw/zinc/05/69/53/566056953.db2.gz ASIDCJVYTNTIMY-HBUWYVDXSA-N 1 0 378.314 2.534 20 0 GFADRO O=C(NCc1noc(-c2cccc(Br)c2)n1)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000655477131 566058127 /nfs/dbraw/zinc/05/81/27/566058127.db2.gz AKMSQUULRWMAJC-GUYCJALGSA-N 1 0 391.269 2.505 20 0 GFADRO COc1ccc(Br)cc1C1(NC(=O)[C@@H]2C[C@]23CCC[NH2+]C3)CC1 ZINC000655483008 566059419 /nfs/dbraw/zinc/05/94/19/566059419.db2.gz CHVSLGYDAWEWCV-YOEHRIQHSA-N 1 0 379.298 2.953 20 0 GFADRO O=C(NCCCc1cccc(Br)c1)NC[C@@H]1CCCC[N@H+]1CCO ZINC000655505859 566060747 /nfs/dbraw/zinc/06/07/47/566060747.db2.gz UWBYGIHYCNMUKQ-KRWDZBQOSA-N 1 0 398.345 2.528 20 0 GFADRO [NH3+]C[C@@H](C(=O)N1CCOc2cccc(Br)c2C1)c1ccccc1 ZINC000655503799 566060816 /nfs/dbraw/zinc/06/08/16/566060816.db2.gz JONQKBMZINCCTG-CQSZACIVSA-N 1 0 375.266 2.913 20 0 GFADRO O=S(=O)(c1ccccc1Br)N1CCCN(c2cc[nH+]cc2)CC1 ZINC000632721953 566061462 /nfs/dbraw/zinc/06/14/62/566061462.db2.gz SJGBYCRJHOVYDM-UHFFFAOYSA-N 1 0 396.310 2.745 20 0 GFADRO [NH3+]C[C@H](NC(=O)CCc1nc2cc(Br)ccc2s1)C(F)(F)F ZINC000655516206 566062106 /nfs/dbraw/zinc/06/21/06/566062106.db2.gz PYKHUZDNWSULFV-JTQLQIEISA-N 1 0 396.232 2.997 20 0 GFADRO O=C(C[C@@H]1C[NH2+]CCO1)N1CCN(c2cc(Cl)c(Cl)c(Cl)c2)CC1 ZINC000655524677 566064360 /nfs/dbraw/zinc/06/43/60/566064360.db2.gz FOTBQZGTDGRGCE-GFCCVEGCSA-N 1 0 392.714 2.674 20 0 GFADRO O=C(CCc1cc(F)ccc1Br)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000680143692 566065134 /nfs/dbraw/zinc/06/51/34/566065134.db2.gz SZGPYKLWBPHDJR-SJORKVTESA-N 1 0 399.304 2.578 20 0 GFADRO Cc1cc(S(=O)(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)ccc1Cl ZINC000655539361 566065412 /nfs/dbraw/zinc/06/54/12/566065412.db2.gz QDNZTNLVLVUMQY-ZWKOTPCHSA-N 1 0 386.945 2.695 20 0 GFADRO C[NH+](C)[C@@H]1CCCN(C(=O)c2ccc3cncc(Br)c3n2)CC1 ZINC000632761981 566065995 /nfs/dbraw/zinc/06/59/95/566065995.db2.gz FEIUKWAZJVQMFC-CYBMUJFWSA-N 1 0 377.286 2.949 20 0 GFADRO O=C(c1ccn(-c2cccc(Br)c2)n1)N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000632860512 566071374 /nfs/dbraw/zinc/07/13/74/566071374.db2.gz KZICKKOXDFFWQX-DYVFJYSZSA-N 1 0 389.297 2.849 20 0 GFADRO Cc1c(Br)cccc1CS(=O)(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000655604984 566071761 /nfs/dbraw/zinc/07/17/61/566071761.db2.gz HMLZWNSUQYEFKV-AWEZNQCLSA-N 1 0 389.359 2.909 20 0 GFADRO CC[NH+](CC)CCOCCNC(=O)NCc1sccc1Br ZINC000680502417 566073595 /nfs/dbraw/zinc/07/35/95/566073595.db2.gz CEBGBCYDFBNFTR-UHFFFAOYSA-N 1 0 378.336 2.668 20 0 GFADRO O=C(Nc1ccc(OC(F)(F)F)cc1Cl)N1CCC([NH2+]CCO)CC1 ZINC000632954662 566076613 /nfs/dbraw/zinc/07/66/13/566076613.db2.gz FGURCHXYWYQBTP-UHFFFAOYSA-N 1 0 381.782 2.817 20 0 GFADRO CC[NH+]1CCC(NC(=O)N[C@@H]2[C@H]3Cc4cc(Br)ccc4[C@@H]23)CC1 ZINC000633074408 566083031 /nfs/dbraw/zinc/08/30/31/566083031.db2.gz PZQLVLSPTDPIAQ-GVDBMIGSSA-N 1 0 378.314 2.871 20 0 GFADRO Cc1nn(-c2ccccc2Br)cc1C[NH2+][C@@H](C)CN1CCOCC1 ZINC000655711901 566084473 /nfs/dbraw/zinc/08/44/73/566084473.db2.gz JZSJEGPFLXWECT-AWEZNQCLSA-N 1 0 393.329 2.754 20 0 GFADRO O=C1[C@@H]([NH2+][C@H]2CCc3cc(Br)ccc3C2)CCN1C1CCOCC1 ZINC000680874588 566086201 /nfs/dbraw/zinc/08/62/01/566086201.db2.gz BWMZFZLCNMYWIZ-WMZOPIPTSA-N 1 0 393.325 2.676 20 0 GFADRO OC[C@H](C[NH2+]Cc1cc2n(n1)CCCC2)Cc1ccc(Br)cc1 ZINC000655767050 566087442 /nfs/dbraw/zinc/08/74/42/566087442.db2.gz XNYPLJVBCPHQRX-HNNXBMFYSA-N 1 0 378.314 2.923 20 0 GFADRO CN(C)C(=O)[C@@H]1CC[C@H](C[NH2+]Cc2oc3ccccc3c2Br)O1 ZINC000655756045 566087532 /nfs/dbraw/zinc/08/75/32/566087532.db2.gz LXGDBYTZKYRUEP-RISCZKNCSA-N 1 0 381.270 2.921 20 0 GFADRO Cc1nn(-c2cccc(Br)c2)cc1C[NH2+][C@@H]1C(=O)NCC[C@H]1C ZINC000655769889 566088704 /nfs/dbraw/zinc/08/87/04/566088704.db2.gz RLAWLNUPCYDRIL-BZNIZROVSA-N 1 0 377.286 2.557 20 0 GFADRO C[NH+](C)CCn1nccc1NC(=O)[C@H]1[C@@H]2c3ccc(Br)cc3C[C@H]12 ZINC000633211603 566089676 /nfs/dbraw/zinc/08/96/76/566089676.db2.gz BKQBIUIYZOKJMT-USXIJHARSA-N 1 0 389.297 2.732 20 0 GFADRO CCOc1cc(C[NH2+]C[C@@](C)(CO)OC)cc(Br)c1OC(F)F ZINC000655808493 566089785 /nfs/dbraw/zinc/08/97/85/566089785.db2.gz ATIAMSMURLEACS-HNNXBMFYSA-N 1 0 398.244 2.936 20 0 GFADRO Cc1nn(-c2cccc(Br)c2)cc1C[NH2+]CC[C@]1(O)CCCOC1 ZINC000655799737 566089806 /nfs/dbraw/zinc/08/98/06/566089806.db2.gz OBCJOTSOEBGHJL-GOSISDBHSA-N 1 0 394.313 2.964 20 0 GFADRO Cn1nnc2c1CC[C@@H]([NH2+]Cc1cc(Br)ccc1OC(F)F)C2 ZINC000655842179 566093223 /nfs/dbraw/zinc/09/32/23/566093223.db2.gz NDDSRXKJGRXTPV-LLVKDONJSA-N 1 0 387.228 2.826 20 0 GFADRO C[NH+](C)CCn1cc(C(=O)NC/C=C\c2ccc(Br)cc2)cn1 ZINC000633288202 566093653 /nfs/dbraw/zinc/09/36/53/566093653.db2.gz OAFPWHRBRZRAFD-ARJAWSKDSA-N 1 0 377.286 2.650 20 0 GFADRO CC(C)(CNC(=O)N[C@@H](C[NH3+])C(F)(F)F)c1ccccc1Br ZINC000655919490 566095243 /nfs/dbraw/zinc/09/52/43/566095243.db2.gz DGKWEPNOTIQACZ-NSHDSACASA-N 1 0 382.224 2.916 20 0 GFADRO [NH3+]CC[C@@H](NC(=O)N1CCOc2cccc(Br)c2C1)C(F)(F)F ZINC000655910368 566095309 /nfs/dbraw/zinc/09/53/09/566095309.db2.gz ZKYHBSQAPJMYOB-GFCCVEGCSA-N 1 0 396.207 2.633 20 0 GFADRO COc1ccc(Br)cc1C1(NC(=O)N[C@@H](C[NH3+])C(F)(F)F)CC1 ZINC000655930860 566096169 /nfs/dbraw/zinc/09/61/69/566096169.db2.gz DJIKQNYKOCDEKZ-NSHDSACASA-N 1 0 396.207 2.636 20 0 GFADRO Cc1c(Br)cccc1CS(=O)(=O)N(C1CC1)C1CC[NH2+]CC1 ZINC000655948820 566098185 /nfs/dbraw/zinc/09/81/85/566098185.db2.gz FEKKFZQTYVEPOV-UHFFFAOYSA-N 1 0 387.343 2.804 20 0 GFADRO CC[C@@H](C)Sc1ccc(NC(=O)C(=O)N[C@H](C[NH3+])C(F)(F)F)c(C)c1 ZINC000655958563 566098949 /nfs/dbraw/zinc/09/89/49/566098949.db2.gz MYBQLDOGEITLTD-ZWNOBZJWSA-N 1 0 377.432 2.830 20 0 GFADRO Cc1c(Br)cccc1CS(=O)(=O)N[C@](C)(C[NH3+])CC(C)C ZINC000655950550 566099370 /nfs/dbraw/zinc/09/93/70/566099370.db2.gz NWGUCHDSTPOBQW-HNNXBMFYSA-N 1 0 377.348 2.940 20 0 GFADRO Cc1ccc(CCC(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c(Br)c1 ZINC000681260849 566100393 /nfs/dbraw/zinc/10/03/93/566100393.db2.gz BAOZMYHGDGUGLC-QZTJIDSGSA-N 1 0 395.341 2.748 20 0 GFADRO COC(=O)[C@H](c1cc(Cl)cc(Cl)c1)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000610787694 566100603 /nfs/dbraw/zinc/10/06/03/566100603.db2.gz BYWSBSVOOMEVFK-IKGGRYGDSA-N 1 0 387.307 2.739 20 0 GFADRO Cc1ccc(CCC(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)c(Br)c1 ZINC000681260850 566100637 /nfs/dbraw/zinc/10/06/37/566100637.db2.gz BAOZMYHGDGUGLC-ROUUACIJSA-N 1 0 395.341 2.748 20 0 GFADRO O=C(N[C@@H]1[C@H]2Cc3c(cccc3Br)[C@@H]12)N1CC[NH+]2CCC1CC2 ZINC000633406526 566100915 /nfs/dbraw/zinc/10/09/15/566100915.db2.gz DUUJGSIWMXKIHM-USXIJHARSA-N 1 0 376.298 2.577 20 0 GFADRO CN(CC[N@H+](C)C1CC1)C(=O)C(=O)NCCCc1c(Cl)cccc1Cl ZINC000656081155 566103397 /nfs/dbraw/zinc/10/33/97/566103397.db2.gz ATMZKSWNNKRAQJ-UHFFFAOYSA-N 1 0 386.323 2.595 20 0 GFADRO Cc1nc(-c2cccs2)c(CC(=O)NC[C@@H](O)C[NH+]2CCCCC2)s1 ZINC000633480871 566105529 /nfs/dbraw/zinc/10/55/29/566105529.db2.gz PUZPBBIOCYYNTF-CQSZACIVSA-N 1 0 379.551 2.686 20 0 GFADRO C[C@H]1C[C@@H](NC(=O)c2cccc(F)c2I)C[N@@H+]1C1CC1 ZINC000611004281 566109832 /nfs/dbraw/zinc/10/98/32/566109832.db2.gz QMWAIPKKSRXNCU-VHSXEESVSA-N 1 0 388.224 2.785 20 0 GFADRO CC(=O)N(c1nc(CN[C@@H](C[NH3+])C(F)(F)F)cs1)c1ccc(F)cc1 ZINC000656195085 566112966 /nfs/dbraw/zinc/11/29/66/566112966.db2.gz UEYUBALZNXZXPC-ZDUSSCGKSA-N 1 0 376.379 2.946 20 0 GFADRO Cc1nn(-c2ccccc2Br)cc1C[N@H+](CCO)C1CCOCC1 ZINC000656256797 566118814 /nfs/dbraw/zinc/11/88/14/566118814.db2.gz AJAZXPNVCHCYQZ-UHFFFAOYSA-N 1 0 394.313 2.917 20 0 GFADRO COc1cc(Br)ccc1CNC(=O)NC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000681655716 566120254 /nfs/dbraw/zinc/12/02/54/566120254.db2.gz XHDLCZQLQCICHS-CYBMUJFWSA-N 1 0 384.318 2.987 20 0 GFADRO COC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1cn(-c2cccc(Br)c2)nc1C ZINC000656264847 566120307 /nfs/dbraw/zinc/12/03/07/566120307.db2.gz VGDQLJAESVRQLN-DLBZAZTESA-N 1 0 380.286 2.525 20 0 GFADRO Brc1cc(CN2CCC[C@H]([NH+]3CCOCC3)CC2)cc2c1OCO2 ZINC000656281524 566122401 /nfs/dbraw/zinc/12/24/01/566122401.db2.gz ZDMVPNWEEIBHOT-HNNXBMFYSA-N 1 0 397.313 2.865 20 0 GFADRO C[NH+](C)C1(CNC(=O)c2cnc3ncc(Br)cc3c2)CCCC1 ZINC000681962522 566135548 /nfs/dbraw/zinc/13/55/48/566135548.db2.gz LGEZGMQXODARGZ-UHFFFAOYSA-N 1 0 377.286 2.997 20 0 GFADRO COC(=O)[C@H](c1cccc(Cl)c1Cl)N1CC[NH+](C(C)(C)CO)CC1 ZINC000611668841 566139163 /nfs/dbraw/zinc/13/91/63/566139163.db2.gz VDWQZZFZYZNMPT-HNNXBMFYSA-N 1 0 375.296 2.596 20 0 GFADRO C[NH+]1CCC(n2cc(NC(=O)Cc3ccc(Br)cc3O)cn2)CC1 ZINC000634094884 566143741 /nfs/dbraw/zinc/14/37/41/566143741.db2.gz FUDSQFMDENUARK-UHFFFAOYSA-N 1 0 393.285 2.799 20 0 GFADRO C[C@H]([NH2+]CCCN1CCCS1(=O)=O)c1ccc(Br)cc1F ZINC000682133199 566145231 /nfs/dbraw/zinc/14/52/31/566145231.db2.gz BWCTYSKZWYEOEB-NSHDSACASA-N 1 0 379.295 2.664 20 0 GFADRO Cc1ccc(Br)c(NC(=O)C(=O)N[C@H](C)C2CC[NH+](C)CC2)c1 ZINC000682193219 566146272 /nfs/dbraw/zinc/14/62/72/566146272.db2.gz RCMRKLWVTNPVAA-GFCCVEGCSA-N 1 0 382.302 2.543 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)C(=O)N[C@H](C)C1CC[NH+](C)CC1 ZINC000682193153 566146921 /nfs/dbraw/zinc/14/69/21/566146921.db2.gz XAFQELOLSFTAJY-GFCCVEGCSA-N 1 0 382.302 2.543 20 0 GFADRO COC[C@H]([NH2+][C@@H]1CCN(c2cccc(Br)c2)C1=O)C1CCOCC1 ZINC000656677370 566154418 /nfs/dbraw/zinc/15/44/18/566154418.db2.gz GJYVDOWTNHFZOI-SJORKVTESA-N 1 0 397.313 2.586 20 0 GFADRO COC1CC(CC[NH2+]CCS(=O)(=O)c2cccc(Br)c2)C1 ZINC000656702109 566156110 /nfs/dbraw/zinc/15/61/10/566156110.db2.gz LNUNTWNGQBBFEZ-UHFFFAOYSA-N 1 0 376.316 2.628 20 0 GFADRO CC(C)[N@@H+](Cc1ccc(Br)cc1)C[C@@H](O)CC1(O)CCOCC1 ZINC000634643910 566163318 /nfs/dbraw/zinc/16/33/18/566163318.db2.gz KVUAOGKGDKQUHW-KRWDZBQOSA-N 1 0 386.330 2.952 20 0 GFADRO O=C1N[C@H](c2ccccc2Br)C(=O)N1[C@H]1CC[N@H+](CC2CC2)C1 ZINC000656803816 566166595 /nfs/dbraw/zinc/16/65/95/566166595.db2.gz PHOQBLRUYYTOFY-SWLSCSKDSA-N 1 0 378.270 2.526 20 0 GFADRO COCC[N@@H+]1CCC[C@@H](NC(=O)C2(c3ccccc3Br)CC2)C1 ZINC000682718699 566168991 /nfs/dbraw/zinc/16/89/91/566168991.db2.gz QNARZTUGDZBMJQ-CQSZACIVSA-N 1 0 381.314 2.708 20 0 GFADRO C[C@H](NC(=O)c1cc(-c2ccc(Br)cc2)no1)[C@H]1CN(C)CCO1 ZINC000612669458 566170242 /nfs/dbraw/zinc/17/02/42/566170242.db2.gz GWKXIYUMTJKWGS-MEDUHNTESA-N 1 0 394.269 2.553 20 0 GFADRO CC[C@@H]([NH2+]C[C@H](O)CC1(O)CCOCC1)c1cc(F)cc(Br)c1 ZINC000634711321 566171692 /nfs/dbraw/zinc/17/16/92/566171692.db2.gz MTUGIMUJISKPST-HZPDHXFCSA-N 1 0 390.293 2.921 20 0 GFADRO O[C@@H](C[NH2+]CCn1ccc(C(F)(F)F)n1)COCc1ccc(Cl)cc1 ZINC000634731398 566172703 /nfs/dbraw/zinc/17/27/03/566172703.db2.gz UCJRDGUZBZEWCP-AWEZNQCLSA-N 1 0 377.794 2.723 20 0 GFADRO C[C@H](CNC(=O)N[C@@H]1CC12CC[NH2+]CC2)Oc1ccccc1Br ZINC000612977713 566180500 /nfs/dbraw/zinc/18/05/00/566180500.db2.gz RJWQVIDTFGQWMK-IUODEOHRSA-N 1 0 382.302 2.658 20 0 GFADRO CC(C)(COc1ncc(Cl)cc1Cl)NC(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000612980821 566181251 /nfs/dbraw/zinc/18/12/51/566181251.db2.gz VTOMCMHEWYDQMY-CYBMUJFWSA-N 1 0 387.311 2.987 20 0 GFADRO O=C(N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1)N[C@H]1CC12CC[NH2+]CC2 ZINC000612986235 566181363 /nfs/dbraw/zinc/18/13/63/566181363.db2.gz PDJLAZSAFOJVJG-GLQYFDAESA-N 1 0 382.277 2.885 20 0 GFADRO C[C@@H](C[NH2+][C@H]1CCCS(=O)(=O)CC1)Oc1ccc(Br)cc1 ZINC000634965365 566186112 /nfs/dbraw/zinc/18/61/12/566186112.db2.gz IYSUUXUEESFQFE-JSGCOSHPSA-N 1 0 376.316 2.773 20 0 GFADRO CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)Nc1cc(C)c(Br)c(C)c1 ZINC000683165720 566186328 /nfs/dbraw/zinc/18/63/28/566186328.db2.gz QEWLSMKPYCQVBT-CQSZACIVSA-N 1 0 396.329 2.995 20 0 GFADRO COc1cc(C[NH2+][C@@H]2CCCS(=O)(=O)CC2)cc(Br)c1OC ZINC000634960320 566186337 /nfs/dbraw/zinc/18/63/37/566186337.db2.gz PCKZQXPYFPNXKL-GFCCVEGCSA-N 1 0 392.315 2.523 20 0 GFADRO O=C(Nc1cscc1Cl)C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000635034644 566190809 /nfs/dbraw/zinc/19/08/09/566190809.db2.gz JKCOSMCDGQMMEC-UHFFFAOYSA-N 1 0 378.885 2.516 20 0 GFADRO C[N@@H+]1CCC[C@H](NC(=O)c2cnc3c(Cl)cc(Br)cc3c2O)C1 ZINC000683262352 566191424 /nfs/dbraw/zinc/19/14/24/566191424.db2.gz SSDIFJXHXALSKM-JTQLQIEISA-N 1 0 398.688 2.768 20 0 GFADRO CN1C(=O)N([C@@H]2CC[N@H+](CC3CC3)C2)C(=O)[C@@H]1c1cccc(Br)c1 ZINC000683287421 566192758 /nfs/dbraw/zinc/19/27/58/566192758.db2.gz SGIOJGCUVXDIAP-CVEARBPZSA-N 1 0 392.297 2.869 20 0 GFADRO Cc1cc(NC(=O)C(=O)N(C)C2CC[NH+](CCC(F)(F)F)CC2)cs1 ZINC000635187615 566197153 /nfs/dbraw/zinc/19/71/53/566197153.db2.gz BFSJDYUERWMIDA-UHFFFAOYSA-N 1 0 377.432 2.870 20 0 GFADRO C[NH+](C)C1(CNC(=O)c2ncc(Br)s2)Cc2ccccc2C1 ZINC000683411640 566198791 /nfs/dbraw/zinc/19/87/91/566198791.db2.gz STFIDULXTJIIMU-UHFFFAOYSA-N 1 0 380.311 2.735 20 0 GFADRO CC1([NH+]2CCCC2)CCN(C(=O)C(=O)Nc2cccc(Br)c2)CC1 ZINC000635255240 566201760 /nfs/dbraw/zinc/20/17/60/566201760.db2.gz OEKVVJYHKIJBPB-UHFFFAOYSA-N 1 0 394.313 2.865 20 0 GFADRO C[C@@H](NC(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)c1ccc(Br)cc1 ZINC000683708653 566210478 /nfs/dbraw/zinc/21/04/78/566210478.db2.gz DSBVARCVVVSPRP-KBRIMQKVSA-N 1 0 396.329 2.751 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@H](CNS(=O)(=O)c2ccc(OC(F)F)c(F)c2)C1 ZINC000657034993 566211059 /nfs/dbraw/zinc/21/10/59/566211059.db2.gz VXBRETBLQRCHMO-LLVKDONJSA-N 1 0 380.432 2.826 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@H]1CNS(=O)(=O)Cc1cccc(Br)c1 ZINC000657034801 566211091 /nfs/dbraw/zinc/21/10/91/566211091.db2.gz OPVIRZZUJYDQAV-AWEZNQCLSA-N 1 0 375.332 2.741 20 0 GFADRO COCCOCC[N@H+](C)CCC(=O)N[C@@H]1CCc2cc(Br)ccc21 ZINC000635413057 566211115 /nfs/dbraw/zinc/21/11/15/566211115.db2.gz DQNROBDIZZPAIB-QGZVFWFLSA-N 1 0 399.329 2.538 20 0 GFADRO CCCSc1nsc(NC(=O)N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)n1 ZINC000683788472 566214268 /nfs/dbraw/zinc/21/42/68/566214268.db2.gz OPTFAIBRJUUTJH-LBPRGKRZSA-N 1 0 385.559 2.757 20 0 GFADRO Cc1ccc(Br)c(S(=O)(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)c1 ZINC000657062319 566215640 /nfs/dbraw/zinc/21/56/40/566215640.db2.gz RJPLTUZYKKORQN-GFCCVEGCSA-N 1 0 375.332 2.909 20 0 GFADRO CNS(=O)(=O)Cc1ccc(C[NH2+][C@H](COC)c2ccc(Cl)cc2)cc1 ZINC000683814203 566215808 /nfs/dbraw/zinc/21/58/08/566215808.db2.gz CPTOPEWNBIDTGY-GOSISDBHSA-N 1 0 382.913 2.867 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@H](NS(=O)(=O)Cc2ccc(Br)cc2)C1 ZINC000657061354 566215824 /nfs/dbraw/zinc/21/58/24/566215824.db2.gz MYGZDTFTCORISS-AWEZNQCLSA-N 1 0 375.332 2.741 20 0 GFADRO C[C@@H](CN(C)CCC[NH+](C)C)NS(=O)(=O)c1cccc(Cl)c1Cl ZINC000657072034 566217769 /nfs/dbraw/zinc/21/77/69/566217769.db2.gz NCVXHASWERQMEH-LBPRGKRZSA-N 1 0 382.357 2.544 20 0 GFADRO O=C([C@@H]1CC[N@@H+]1C1CCCC1)N1CCC(n2cc(Br)cn2)CC1 ZINC000635543368 566218663 /nfs/dbraw/zinc/21/86/63/566218663.db2.gz BMAKPNOWCZNWRJ-INIZCTEOSA-N 1 0 381.318 2.826 20 0 GFADRO C[C@H](CCNS(=O)(=O)Cc1ccc(Cl)cc1Br)[NH+](C)C ZINC000657089771 566221145 /nfs/dbraw/zinc/22/11/45/566221145.db2.gz BTEBRFHYHNGVOC-SNVBAGLBSA-N 1 0 383.739 2.862 20 0 GFADRO C[C@]1(C[NH2+]Cc2cccc(OCc3cccc(-c4nn[nH]n4)c3)c2)CCOC1 ZINC000736216496 598837547 /nfs/dbraw/zinc/83/75/47/598837547.db2.gz JYSBEHWFZZNLSA-OAQYLSRUSA-N 1 0 379.464 2.962 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(c2nc3c(cc2-c2nn[nH]n2)CCC3)C1 ZINC000736267265 598869965 /nfs/dbraw/zinc/86/99/65/598869965.db2.gz MOKKPCOXOHBJFV-CVEARBPZSA-N 1 0 381.528 2.841 20 0 GFADRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(CCOc2cccc(-c3nn[nH]n3)c2)C1 ZINC000736269861 598871441 /nfs/dbraw/zinc/87/14/41/598871441.db2.gz YITZWCYYIRQVAS-ROUUACIJSA-N 1 0 384.528 2.832 20 0 GFADRO C[C@@H]([NH2+][C@H]1CCN(c2ccc(Cl)cc2)C1=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000736129718 598879330 /nfs/dbraw/zinc/87/93/30/598879330.db2.gz FJORCOLSVHOQOO-PXAZEXFGSA-N 1 0 382.855 2.976 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)NCc2cccc(-c3nn[nH]n3)c2)C1 ZINC000736267210 598879763 /nfs/dbraw/zinc/87/97/63/598879763.db2.gz MKMVRKGAOGXNBJ-AEFFLSMTSA-N 1 0 397.527 2.663 20 0 GFADRO CS[C@@H](CO)[C@H](C)[NH2+]Cc1cccc(OCc2cccc(-c3nn[nH]n3)c2)c1 ZINC000737170971 598887649 /nfs/dbraw/zinc/88/76/49/598887649.db2.gz MCUIEZODSSRUKL-LIRRHRJNSA-N 1 0 399.520 2.648 20 0 GFADRO c1nc2ccc(-c3nn[nH]n3)cn2c1C[NH2+]Cc1ccccc1OCC1CC1 ZINC000738436576 598887798 /nfs/dbraw/zinc/88/77/98/598887798.db2.gz TUTDOCILRQPEFK-UHFFFAOYSA-N 1 0 375.436 2.593 20 0 GFADRO CCO[C@H]1C[C@@H]([N@H+](C)Cn2c(C)nnc2-c2cccc(-c3nn[nH]n3)c2)C1(C)C ZINC000736612464 598954731 /nfs/dbraw/zinc/95/47/31/598954731.db2.gz PBCNHPQPKCTDPL-SJORKVTESA-N 1 0 396.499 2.527 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCN(c2ccc(-c3nn[nH]n3)cc2)C1=O)c1ccc(F)c(F)c1 ZINC000736131941 598958760 /nfs/dbraw/zinc/95/87/60/598958760.db2.gz MAIQKPFPIJWFOA-APPDUMDISA-N 1 0 384.390 2.601 20 0 GFADRO C[C@@H]([NH2+][C@H]1CCN(c2ccc(-c3nn[nH]n3)cc2)C1=O)c1ccc(F)c(F)c1 ZINC000736131942 598959348 /nfs/dbraw/zinc/95/93/48/598959348.db2.gz MAIQKPFPIJWFOA-DIFFPNOSSA-N 1 0 384.390 2.601 20 0 GFADRO C[C@@H]([NH2+][C@@H]1CCN(c2ccc(-c3nn[nH]n3)cc2)C1=O)c1cccc(Cl)c1 ZINC000736134872 598959867 /nfs/dbraw/zinc/95/98/67/598959867.db2.gz VZQXMRIWSFOLIE-SJKOYZFVSA-N 1 0 382.855 2.976 20 0 GFADRO CSC[C@@H](CCO)[NH2+]Cc1cccc(OCc2ccccc2-c2nn[nH]n2)c1 ZINC000737176043 599010928 /nfs/dbraw/zinc/01/09/28/599010928.db2.gz KTTBJFLVFWAOBT-QGZVFWFLSA-N 1 0 399.520 2.649 20 0 GFADRO C[N@@H+]1CCN(c2nc(C(F)(F)F)ccc2-c2nn[nH]n2)[C@H](c2ccccc2)C1 ZINC000736867131 599039185 /nfs/dbraw/zinc/03/91/85/599039185.db2.gz JJUZVCWJVPRWFM-AWEZNQCLSA-N 1 0 389.385 2.774 20 0 GFADRO FC(F)(F)c1ccc(-c2nn[nH]n2)c(N2CC[C@@H](C[NH+]3CCCCC3)C2)n1 ZINC000822723750 599058234 /nfs/dbraw/zinc/05/82/34/599058234.db2.gz MZZCDDQTMROSSA-LBPRGKRZSA-N 1 0 381.406 2.593 20 0 GFADRO C[NH+](C)CCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)[C@H]1C[C@@H]1C1CCCCC1 ZINC000736767185 599071352 /nfs/dbraw/zinc/07/13/52/599071352.db2.gz NJGYEEFPTXGYIS-UXHICEINSA-N 1 0 396.539 2.973 20 0 GFADRO Cc1oc(NC(=O)C[N@H+]2C[C@@H](c3ccccc3)C[C@H]2C)c(-c2nn[nH]n2)c1C ZINC000737553916 599081403 /nfs/dbraw/zinc/08/14/03/599081403.db2.gz XWEZTCVCBMKALL-WBMJQRKESA-N 1 0 380.452 2.893 20 0 GFADRO C[N@@H+]1CCC[C@@H](CNC(=O)c2cccc(-c3nn[nH]n3)c2)[C@H]1c1cccs1 ZINC000736857535 599085442 /nfs/dbraw/zinc/08/54/42/599085442.db2.gz OOAIJSRSMHKYFT-RDJZCZTQSA-N 1 0 382.493 2.741 20 0 GFADRO Cc1cccc([C@H]2CCC[N@@H+]2CC(=O)NCc2ccc(-c3nn[nH]n3)cc2)c1C ZINC000737389665 599136733 /nfs/dbraw/zinc/13/67/33/599136733.db2.gz NAEJSOBMWIUJGU-HXUWFJFHSA-N 1 0 390.491 2.937 20 0 GFADRO C[C@@H]1C[N@H+](CC(=O)Nc2cccc(-c3nn[nH]n3)c2)CC[C@H]1c1ccccc1 ZINC000736284588 599147046 /nfs/dbraw/zinc/14/70/46/599147046.db2.gz BLLHOHMJHSMOBU-DNVCBOLYSA-N 1 0 376.464 2.931 20 0 GFADRO C[C@@H]1CN(C(=O)c2cccc(Nc3ccc(-c4nn[nH]n4)cc3)c2)C[C@H]1[NH+](C)C ZINC000820742700 599201356 /nfs/dbraw/zinc/20/13/56/599201356.db2.gz MCHSBOUOCHUJMI-AUUYWEPGSA-N 1 0 391.479 2.632 20 0 GFADRO C[C@@H]1CCN(C(=O)Nc2cccc(-c3nn[nH]n3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000820717963 599245346 /nfs/dbraw/zinc/24/53/46/599245346.db2.gz ZHTQEJSDZKSOFL-MRXNPFEDSA-N 1 0 391.479 2.995 20 0 GFADRO Cc1c(NC(=O)NC[C@H](C)[N@@H+]2CCc3ccccc3C2)cccc1-c1nn[nH]n1 ZINC000822095689 607284867 /nfs/dbraw/zinc/28/48/67/607284867.db2.gz GSDQMSQYVIKEPU-AWEZNQCLSA-N 1 0 391.479 2.743 20 0 GFADRO Cc1c(NC(=O)N2CC[C@H]([N@H+](C)Cc3ccccc3)C2)cccc1-c1nn[nH]n1 ZINC000822084247 607293515 /nfs/dbraw/zinc/29/35/15/607293515.db2.gz HSGWGTFTGOLALP-KRWDZBQOSA-N 1 0 391.479 2.913 20 0 GFADRO c1csc(C[NH+]2CCN(c3cc(-c4nn[nH]n4)nc4ccccc43)CC2)c1 ZINC000738453654 599261095 /nfs/dbraw/zinc/26/10/95/599261095.db2.gz YGYGCWYXBNXGIO-UHFFFAOYSA-N 1 0 377.477 2.799 20 0 GFADRO CCOC(=O)CCCCC[N@@H+]1CCCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000736593225 599268458 /nfs/dbraw/zinc/26/84/58/599268458.db2.gz ZVCTWNCGSJHGSQ-UHFFFAOYSA-N 1 0 386.500 2.502 20 0 GFADRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(CCC(=O)Nc2cccc(-c3nn[nH]n3)c2)C1 ZINC000736236737 599268891 /nfs/dbraw/zinc/26/88/91/599268891.db2.gz MITWYJJKKWNEQI-FCEWJHQRSA-N 1 0 397.527 2.533 20 0 GFADRO CC[NH+](CC)C[C@@H](C)NC(=O)Nc1ccc(-c2nn[nH]n2)c(C(F)(F)F)c1 ZINC000821180384 599286384 /nfs/dbraw/zinc/28/63/84/599286384.db2.gz CEWJGXQEOISUIU-SNVBAGLBSA-N 1 0 385.394 2.737 20 0 GFADRO CN(C[C@@H]1CC[N@H+](C)C1)C(=O)c1ccccc1-c1ccccc1-c1nn[nH]n1 ZINC000736848987 598238067 /nfs/dbraw/zinc/23/80/67/598238067.db2.gz QKRAHTVRNJPTEI-OAHLLOKOSA-N 1 0 376.464 2.557 20 0 GFADRO O[C@H](C[NH2+]C1(c2ccc(Cl)cc2)CCC1)COc1ccc(-c2nn[nH]n2)cc1 ZINC000738382006 598248348 /nfs/dbraw/zinc/24/83/48/598248348.db2.gz ORUJTIFYYONDBM-QGZVFWFLSA-N 1 0 399.882 2.929 20 0 GFADRO CCC[N@H+](CCOc1cccc(-c2nn[nH]n2)c1)[C@H](C)C(=O)Nc1ccccc1 ZINC000736480596 598251534 /nfs/dbraw/zinc/25/15/34/598251534.db2.gz SSMZWZMONBAVKD-MRXNPFEDSA-N 1 0 394.479 2.985 20 0 GFADRO C[C@H]1C[NH+](CCCNc2ccc(-c3nn[nH]n3)c(C(F)(F)F)c2)C[C@H](C)O1 ZINC000736284895 598274974 /nfs/dbraw/zinc/27/49/74/598274974.db2.gz HLWMKLUVGUQOLL-RYUDHWBXSA-N 1 0 384.406 2.797 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)Nc1cc(-c2nn[nH]n2)cn1C(C)(C)C)c1ccccc1 ZINC000736762868 598276825 /nfs/dbraw/zinc/27/68/25/598276825.db2.gz XPSUIEAUCUSFIQ-MRXNPFEDSA-N 1 0 396.499 2.848 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)Nc1cc(-c2nn[nH]n2)cn1C(C)(C)C)c1ccccc1 ZINC000736762861 598277024 /nfs/dbraw/zinc/27/70/24/598277024.db2.gz XPSUIEAUCUSFIQ-INIZCTEOSA-N 1 0 396.499 2.848 20 0 GFADRO COc1cc(C[N@H+](CCOc2ccc(-c3nn[nH]n3)cc2)C2CC2)ccc1O ZINC000737045972 598312855 /nfs/dbraw/zinc/31/28/55/598312855.db2.gz WHZYNFWBEQBHER-UHFFFAOYSA-N 1 0 381.436 2.624 20 0 GFADRO CCC[N@@H+]1CC[C@H](CNC(=O)N(Cc2ccc(-c3nn[nH]n3)cc2)C(C)C)C1 ZINC000736481614 598426397 /nfs/dbraw/zinc/42/63/97/598426397.db2.gz WXPCRCZFTJZMRF-QGZVFWFLSA-N 1 0 385.516 2.519 20 0 GFADRO CC(C)N(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000735874102 598427136 /nfs/dbraw/zinc/42/71/36/598427136.db2.gz HVYLXEFPRGBJOB-UHFFFAOYSA-N 1 0 385.516 2.661 20 0 GFADRO C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)c3ccc(-c4nn[nH]n4)cn3)cc2)C1 ZINC000736275294 598445193 /nfs/dbraw/zinc/44/51/93/598445193.db2.gz BMWRZUNPWKVEQB-CQSZACIVSA-N 1 0 377.452 2.746 20 0 GFADRO CC(C)(C)OC(=O)C1CC[NH+](Cc2cn3ccccc3c2-c2nn[nH]n2)CC1 ZINC000735623637 598462183 /nfs/dbraw/zinc/46/21/83/598462183.db2.gz JWAHAWKXGJXMFO-UHFFFAOYSA-N 1 0 382.468 2.673 20 0 GFADRO CC[C@@H]1CCC[N@@H+]1CC(=O)Nc1c(-c2nn[nH]n2)c(C)c(C)n1Cc1ccco1 ZINC000736401044 598524397 /nfs/dbraw/zinc/52/43/97/598524397.db2.gz GCLUYSRHHJURND-OAHLLOKOSA-N 1 0 397.483 2.739 20 0 GFADRO C[C@H]([NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1cc(Cl)ccc1Cl ZINC000736137329 598527387 /nfs/dbraw/zinc/52/73/87/598527387.db2.gz WUCHXFUYGBXNEW-VHSXEESVSA-N 1 0 393.282 2.763 20 0 GFADRO Fc1ccc([C@@H]([NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)C2CCCC2)cc1 ZINC000737652514 598527729 /nfs/dbraw/zinc/52/77/29/598527729.db2.gz UVWKRFREWPWXMR-ACJLOTCBSA-N 1 0 396.474 2.765 20 0 GFADRO CCCC[C@@H]([NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1ccc(OC)cc1 ZINC000736437111 598529354 /nfs/dbraw/zinc/52/93/54/598529354.db2.gz HBUQUGYAICSICJ-KBXCAEBGSA-N 1 0 396.499 2.635 20 0 GFADRO c1nn2c(c1-c1nn[nH]n1)NC[C@H](C[NH2+]CC1CCC(c3ccccc3)CC1)C2 ZINC000738428230 598532639 /nfs/dbraw/zinc/53/26/39/598532639.db2.gz MSIIPMOWKNEBEQ-PQUAAJSLSA-N 1 0 392.511 2.669 20 0 GFADRO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)N[C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000736457361 598540369 /nfs/dbraw/zinc/54/03/69/598540369.db2.gz ODMJPWKDSMVGPZ-YJBOKZPZSA-N 1 0 385.516 2.882 20 0 GFADRO C[C@@H](CNc1ccc(Cl)c(-c2nn[nH]n2)n1)[N@@H+]1CCc2sccc2C1 ZINC000736026460 598572171 /nfs/dbraw/zinc/57/21/71/598572171.db2.gz OEQDOIGHUBPVBN-JTQLQIEISA-N 1 0 375.889 2.835 20 0 GFADRO c1nn2cc(C[NH2+][C@H]3CCCC[C@H]3Cc3ccccc3)cnc2c1-c1nn[nH]n1 ZINC000738427480 598618365 /nfs/dbraw/zinc/61/83/65/598618365.db2.gz IOSIDQHBAMODLZ-HKUYNNGSSA-N 1 0 388.479 2.801 20 0 GFADRO C[N@H+](CCCNC(=O)Nc1ccc(F)c(-c2nn[nH]n2)c1)C1CCCCC1 ZINC000736802165 598624788 /nfs/dbraw/zinc/62/47/88/598624788.db2.gz XULAPEKWLZGSLH-UHFFFAOYSA-N 1 0 375.452 2.782 20 0 GFADRO O=C(Nc1ccc(F)c(-c2nn[nH]n2)c1)N1CC[NH+](CC2CCCCC2)CC1 ZINC000738163709 598628531 /nfs/dbraw/zinc/62/85/31/598628531.db2.gz SVIIBSOIVCFAJH-UHFFFAOYSA-N 1 0 387.463 2.736 20 0 GFADRO Cc1cccc(CN(CC[NH+](C)C)C(=O)C=Cc2ccccc2-c2nn[nH]n2)c1 ZINC000737394849 598670326 /nfs/dbraw/zinc/67/03/26/598670326.db2.gz YOCYTMCJJHTAOM-VAWYXSNFSA-N 1 0 390.491 2.779 20 0 GFADRO CCCCCCNC(=O)[C@H]1CCC[N@H+](Cc2ccc(F)cc2-c2nn[nH]n2)C1 ZINC000736447256 598683203 /nfs/dbraw/zinc/68/32/03/598683203.db2.gz PWBOMHZFTJSUFT-INIZCTEOSA-N 1 0 388.491 2.914 20 0 GFADRO CN(C(=O)c1ccccc1-c1ccccc1-c1nn[nH]n1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000736742123 598697446 /nfs/dbraw/zinc/69/74/46/598697446.db2.gz XULREYRZIAXOMZ-MRXNPFEDSA-N 1 0 388.475 2.842 20 0 GFADRO CC(C)[NH2+][C@H]1CCCN(C(=O)Nc2cc(-c3nn[nH]n3)ccc2OC(C)C)C1 ZINC000735888251 598728904 /nfs/dbraw/zinc/72/89/04/598728904.db2.gz JPRDZXWZCBFUTR-HNNXBMFYSA-N 1 0 387.488 2.648 20 0 GFADRO COc1cccc([C@H](C)[NH+]2CCN(c3cccc(F)c3-c3nn[nH]n3)CC2)c1 ZINC000737122887 598756995 /nfs/dbraw/zinc/75/69/95/598756995.db2.gz YAULDTZSHWRQFC-AWEZNQCLSA-N 1 0 382.443 2.898 20 0 GFADRO C[C@](O)(C[NH2+]Cc1cccc(OCc2cccc(-c3nn[nH]n3)c2)c1)C1CC1 ZINC000736143214 598757235 /nfs/dbraw/zinc/75/72/35/598757235.db2.gz SEWQNULLYCCKIB-NRFANRHFSA-N 1 0 379.464 2.696 20 0 GFADRO CCC(CC)[N@H+](CCOC)CCC(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000736344640 598763374 /nfs/dbraw/zinc/76/33/74/598763374.db2.gz BPDPXRGWTGQFOW-UHFFFAOYSA-N 1 0 394.907 2.986 20 0 GFADRO c1ccc2c(c1)OC[C@H](C[NH+]1CCC(Oc3ccc(-c4nn[nH]n4)cc3)CC1)O2 ZINC000738443544 598781492 /nfs/dbraw/zinc/78/14/92/598781492.db2.gz XLROWEBBPFXVRM-SFHVURJKSA-N 1 0 393.447 2.550 20 0 GFADRO O[C@@H](C[NH+]1CCC(CNc2cccc(F)c2-c2nn[nH]n2)CC1)c1ccccc1 ZINC000738381836 598787592 /nfs/dbraw/zinc/78/75/92/598787592.db2.gz NDCQCFGNPGNWAH-IBGZPJMESA-N 1 0 396.470 2.863 20 0 GFADRO C[NH+](C)CCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)c1coc2ccccc12 ZINC000736768223 598822670 /nfs/dbraw/zinc/82/26/70/598822670.db2.gz YOXUBPIQXYJFMM-UHFFFAOYSA-N 1 0 390.447 2.817 20 0 GFADRO C[C@H](C[NH2+][C@@H](C)c1ccc(-c2nn[nH]n2)cc1)N1CCN(c2ccccc2)CC1 ZINC000820418971 599366684 /nfs/dbraw/zinc/36/66/84/599366684.db2.gz CYECOYFDBMDTRH-MSOLQXFVSA-N 1 0 391.523 2.728 20 0 GFADRO C[C@@H]([NH2+][C@@H](C)C(=O)N1CCc2sccc2C1)c1cccc(-c2nn[nH]n2)c1 ZINC000820410734 599388288 /nfs/dbraw/zinc/38/82/88/599388288.db2.gz GBKCQSFBXCWAMT-OLZOCXBDSA-N 1 0 382.493 2.552 20 0 GFADRO CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[NH2+][C@H](C)c2cccc(-c3nn[nH]n3)c2)c1C ZINC000819834646 599390464 /nfs/dbraw/zinc/39/04/64/599390464.db2.gz QAEFJHHXHBBJPG-YPMHNXCESA-N 1 0 380.452 2.936 20 0 GFADRO Cc1ccc([C@@H](CNC(=O)N[C@@H](C)c2cccc(-c3nn[nH]n3)c2)[NH+](C)C)cc1 ZINC000822230517 599436976 /nfs/dbraw/zinc/43/69/76/599436976.db2.gz JBRYDWRKFZVZIP-HNAYVOBHSA-N 1 0 393.495 2.838 20 0 GFADRO Clc1ccc2[nH]cc(CC[NH2+]Cc3cnc4ccc(-c5nn[nH]n5)cn34)c2c1 ZINC000822582890 599455265 /nfs/dbraw/zinc/45/52/65/599455265.db2.gz ZVUMWFSUBUMMEP-UHFFFAOYSA-N 1 0 392.854 2.981 20 0 GFADRO C[C@H]1C[C@H](c2ccc(F)cc2)C[N@@H+]1CC(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000736238719 599478905 /nfs/dbraw/zinc/47/89/05/599478905.db2.gz ZQPBSLWFNRZEEV-BBRMVZONSA-N 1 0 380.427 2.822 20 0 GFADRO COc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1cnc2ccc(-c3nn[nH]n3)cn12 ZINC000737115402 599488976 /nfs/dbraw/zinc/48/89/76/599488976.db2.gz PNPCGRAABXSWDQ-GOSISDBHSA-N 1 0 375.436 2.690 20 0 GFADRO Fc1ccc(C2(C[NH2+]Cc3cnc4ccc(-c5nn[nH]n5)cn34)CCC2)cc1 ZINC000737646995 599489521 /nfs/dbraw/zinc/48/95/21/599489521.db2.gz AAEBFAYTGCILNC-UHFFFAOYSA-N 1 0 377.427 2.865 20 0 GFADRO CCCC[NH+]1CCC(Nc2c(-c3nn[nH]n3)cnc3c(F)ccc(F)c32)CC1 ZINC000821065758 599497942 /nfs/dbraw/zinc/49/79/42/599497942.db2.gz MMEPIFXSGNYTFP-UHFFFAOYSA-N 1 0 387.438 2.791 20 0 GFADRO CN(C[C@@H]1CC[N@H+](C)C1)C(=O)c1cccc(Nc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000736846705 599566979 /nfs/dbraw/zinc/56/69/79/599566979.db2.gz ANSNVFPPMNZAKO-OAHLLOKOSA-N 1 0 391.479 2.634 20 0 GFADRO O=C(c1cccc(Nc2ccc(-c3nn[nH]n3)cc2)c1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000738273825 599570449 /nfs/dbraw/zinc/57/04/49/599570449.db2.gz NRIHMPHOXNBBOI-IBGZPJMESA-N 1 0 389.463 2.531 20 0 GFADRO Cc1cc(N[C@@H]2CC[N@H+](C)[C@@H](C)C2)n2c3ccccc3nc2c1-c1nn[nH]n1 ZINC000822209623 599590853 /nfs/dbraw/zinc/59/08/53/599590853.db2.gz PVESWOZGMINQBN-UONOGXRCSA-N 1 0 376.468 2.871 20 0 GFADRO O=C(CC[N@H+](C[C@@H]1CCCO1)C1CCCC1)Nc1ccccc1-c1nn[nH]n1 ZINC000822964899 599640962 /nfs/dbraw/zinc/64/09/62/599640962.db2.gz SLLVEGYDJSUQLX-INIZCTEOSA-N 1 0 384.484 2.619 20 0 GFADRO CCSCC[C@@H](C)[N@H+](C)CC(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000821456326 599646502 /nfs/dbraw/zinc/64/65/02/599646502.db2.gz PAJYRKLJRSEMRK-LLVKDONJSA-N 1 0 382.921 2.922 20 0 GFADRO C[C@@H](NC(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1)c1cccc(-c2nn[nH]n2)c1 ZINC000820697657 599671962 /nfs/dbraw/zinc/67/19/62/599671962.db2.gz JWQZSESCZIARLA-SXGZJXTBSA-N 1 0 385.516 2.737 20 0 GFADRO CCC[NH+]1CCC(NC(=O)N(Cc2ccc(-c3nn[nH]n3)cc2)C(C)C)CC1 ZINC000821109548 599676935 /nfs/dbraw/zinc/67/69/35/599676935.db2.gz LVQHFCBFPDSUEW-UHFFFAOYSA-N 1 0 385.516 2.661 20 0 GFADRO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)Nc1ccc(Oc2ccc(-c3nn[nH]n3)cc2)nc1 ZINC000820683406 599697189 /nfs/dbraw/zinc/69/71/89/599697189.db2.gz ATNCNEAXIFTHCP-OKILXGFUSA-N 1 0 393.451 2.865 20 0 GFADRO CCC[N@@H+]1CC[C@H](CNC(=O)Nc2ccc(OC(C)C)c(-c3nn[nH]n3)c2)C1 ZINC000821109711 607426691 /nfs/dbraw/zinc/42/66/91/607426691.db2.gz NCZWQGKFHBKYCU-CQSZACIVSA-N 1 0 387.488 2.507 20 0 GFADRO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@H]1N2C(=O)c1ccc(-c2nn[nH]n2)cc1C ZINC000826293829 607431055 /nfs/dbraw/zinc/43/10/55/607431055.db2.gz CDLLADVHSLVFTD-UYAOXDASSA-N 1 0 388.475 2.932 20 0 GFADRO CC(C)Oc1ccc(NC(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)cc1-c1nn[nH]n1 ZINC000820164733 607432846 /nfs/dbraw/zinc/43/28/46/607432846.db2.gz KYWGOQIYHDKDNV-XJKSGUPXSA-N 1 0 387.488 2.504 20 0 GFADRO C[NH+](C)CCCCCCCNC(=O)NC1(c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000825860586 607453987 /nfs/dbraw/zinc/45/39/87/607453987.db2.gz SGTFGOFLCWAMTC-UHFFFAOYSA-N 1 0 385.516 2.667 20 0 GFADRO S=C(Nc1ccccc1-c1nn[nH]n1)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000823731726 607462648 /nfs/dbraw/zinc/46/26/48/607462648.db2.gz DVPJMWUKWXISHY-DYVFJYSZSA-N 1 0 383.525 2.512 20 0 GFADRO COC(=O)[C@@H](C)[C@@H]([NH2+]Cc1cc(-c2nn[nH]n2)ccc1OC)c1ccccc1 ZINC000826099088 607469980 /nfs/dbraw/zinc/46/99/80/607469980.db2.gz XZHIHILGJWEOJB-SCLBCKFNSA-N 1 0 381.436 2.515 20 0 GFADRO CC[C@H](O)C[N@H+](CCCOc1ccc(-c2nn[nH]n2)cc1)Cc1ccccc1 ZINC000825154425 607473210 /nfs/dbraw/zinc/47/32/10/607473210.db2.gz ONKLNROVMHNBNI-IBGZPJMESA-N 1 0 381.480 2.909 20 0 GFADRO COc1cc(C[N@H+](C)Cc2ccnc(-c3nn[nH]n3)c2)ccc1OC(F)F ZINC000826179434 607482126 /nfs/dbraw/zinc/48/21/26/607482126.db2.gz OBKKSWLVROYXQC-UHFFFAOYSA-N 1 0 376.367 2.504 20 0 GFADRO CC(C)(C)OC(=O)N(CCC[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)C1CC1 ZINC000819928687 607478248 /nfs/dbraw/zinc/47/82/48/607478248.db2.gz VDRPMJWKCJNFCF-UHFFFAOYSA-N 1 0 390.463 2.885 20 0 GFADRO c1cc(OCCC[N@@H+]2CC[C@@H]3[C@@H](CCCN3C3CC3)C2)cc(-c2nn[nH]n2)c1 ZINC000826517965 607479066 /nfs/dbraw/zinc/47/90/66/607479066.db2.gz WWNPEDYTIXGFQU-FXAWDEMLSA-N 1 0 382.512 2.584 20 0 GFADRO COc1ccc(-c2nn[nH]n2)cc1CN1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000821732634 607486140 /nfs/dbraw/zinc/48/61/40/607486140.db2.gz RETXRUCHUGDEOQ-UHFFFAOYSA-N 1 0 378.480 2.502 20 0 GFADRO C[N@H+](CCCc1cc(-c2ccccc2)no1)Cc1ccnc(-c2nn[nH]n2)c1 ZINC000825923740 607492610 /nfs/dbraw/zinc/49/26/10/607492610.db2.gz TZBVKXLDOFDMOK-UHFFFAOYSA-N 1 0 375.436 2.981 20 0 GFADRO C[C@H](C(=O)N1CCC(C(=O)[O-])CC1)[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000828258998 602054955 /nfs/dbraw/zinc/05/49/55/602054955.db2.gz VTOACNZCOFRSRO-QZTJIDSGSA-N 1 0 393.572 2.675 20 0 GFADRO Cn1cc(C[N@H+](C)CCCOc2cccc(-c3nn[nH]n3)c2)c(C(F)(F)F)n1 ZINC000825923478 607555195 /nfs/dbraw/zinc/55/51/95/607555195.db2.gz JQKBQXMOWJHKFL-UHFFFAOYSA-N 1 0 395.389 2.520 20 0 GFADRO C[C@@H]([NH2+]CC(=O)NCc1ccc(-c2nn[nH]n2)cc1)c1ccc2c(c1)CCCC2 ZINC000824562043 607636913 /nfs/dbraw/zinc/63/69/13/607636913.db2.gz CAHLXCCYDSVZBT-OAHLLOKOSA-N 1 0 390.491 2.713 20 0 GFADRO C[C@@H](c1ccncc1)[NH+]1CCC(Nc2ccc(Cl)c(-c3nn[nH]n3)n2)CC1 ZINC000824777535 607679128 /nfs/dbraw/zinc/67/91/28/607679128.db2.gz JQDZVVKFPATFEX-LBPRGKRZSA-N 1 0 384.875 2.948 20 0 GFADRO CC(C)[NH+]1CCN(C2CC[NH+]([C@@H](C(=O)[O-])c3cccc(Cl)c3)CC2)CC1 ZINC000833498262 604939013 /nfs/dbraw/zinc/93/90/13/604939013.db2.gz DCFIGNBSTCZCJJ-LJQANCHMSA-N 1 0 379.932 2.956 20 0 GFADRO O=C([O-])CCC[NH+]1CCC([NH2+]CCc2cc(Cl)c3c(c2)OCCO3)CC1 ZINC000833773797 605226402 /nfs/dbraw/zinc/22/64/02/605226402.db2.gz RWUCGOOCCKJSFK-UHFFFAOYSA-N 1 0 382.888 2.573 20 0 GFADRO CCOC(=O)CC[C@@H]1CCC[N@H+](CCCOc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000825508560 607748246 /nfs/dbraw/zinc/74/82/46/607748246.db2.gz ZXQHXJFORLRFCF-INIZCTEOSA-N 1 0 387.484 2.691 20 0 GFADRO C[C@H]1C[C@H](CNC(=O)OC(C)(C)C)C[N@@H+]1Cc1cc(F)ccc1-c1nn[nH]n1 ZINC000824884222 607750134 /nfs/dbraw/zinc/75/01/34/607750134.db2.gz MHHVMAZZOFMEOL-QWHCGFSZSA-N 1 0 390.463 2.741 20 0 GFADRO C[C@H](C[C@@H]1CCCCCN1C(=O)[O-])[NH2+]C1CCN(C2CC[NH+](C)CC2)CC1 ZINC000824759928 605493371 /nfs/dbraw/zinc/49/33/71/605493371.db2.gz QUAHRHUJDYDJAS-XLIONFOSSA-N 1 0 380.577 2.836 20 0 GFADRO CN(C(=O)Cc1ccc(-c2nn[nH]n2)cc1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000821570716 606034395 /nfs/dbraw/zinc/03/43/95/606034395.db2.gz HZUGJZPYAIITST-HXUWFJFHSA-N 1 0 390.491 2.532 20 0 GFADRO O=C([O-])N1CCC[C@@H]([NH2+]CCc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC000834101192 606049831 /nfs/dbraw/zinc/04/98/31/606049831.db2.gz RQHHBVSNQGPJTA-LJQANCHMSA-N 1 0 375.513 2.826 20 0 GFADRO C[C@@H]1[C@@H](Cc2ccccc2)CC[N@@H+]1C[C@@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000820642733 606112651 /nfs/dbraw/zinc/11/26/51/606112651.db2.gz LBYUIIVCCHFQBJ-NSISKUIASA-N 1 0 393.491 2.560 20 0 GFADRO O=C(C=Cc1ccccc1-c1nn[nH]n1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000822930043 606125851 /nfs/dbraw/zinc/12/58/51/606125851.db2.gz XUNOSNFDVJRRAY-ZHACJKMWSA-N 1 0 380.496 2.793 20 0 GFADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)C1 ZINC000821087449 606132134 /nfs/dbraw/zinc/13/21/34/606132134.db2.gz BHDAQPIXUWAICR-LBPRGKRZSA-N 1 0 377.880 2.716 20 0 GFADRO CN(CC[NH+](C)C)C(=O)Nc1ccc(Oc2ccccc2-c2nn[nH]n2)c(F)c1 ZINC000821584870 606153541 /nfs/dbraw/zinc/15/35/41/606153541.db2.gz VPSYNZYSDAEFFX-UHFFFAOYSA-N 1 0 399.430 2.823 20 0 GFADRO CC(C)CC[NH+]1CCC(CNC(=S)Nc2ccccc2-c2nn[nH]n2)CC1 ZINC000820076187 606196044 /nfs/dbraw/zinc/19/60/44/606196044.db2.gz FMUGJHPBUABNDI-UHFFFAOYSA-N 1 0 387.557 2.911 20 0 GFADRO CC[NH+](CC)CCN(Cc1cccs1)C(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000821189258 606198566 /nfs/dbraw/zinc/19/85/66/606198566.db2.gz JSSRRSJLHQCWEV-UHFFFAOYSA-N 1 0 384.509 2.912 20 0 GFADRO Clc1ccc(NCC2(C[NH+]3CCOCC3)CCCCC2)nc1-c1nn[nH]n1 ZINC000822578222 606233086 /nfs/dbraw/zinc/23/30/86/606233086.db2.gz DVCCHSQGSVLBNH-UHFFFAOYSA-N 1 0 391.907 2.610 20 0 GFADRO O=S(=O)(CC[NH2+][C@@H]1CC[C@H]2CCCC[C@H]2C1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823561136 606308147 /nfs/dbraw/zinc/30/81/47/606308147.db2.gz AEDLIEKYSDTRJU-HYVNUMGLSA-N 1 0 389.525 2.589 20 0 GFADRO C[N@H+](CCCc1ccccc1)[C@@H]1CCN(c2sccc2-c2nn[nH]n2)C1=O ZINC000821600660 606315636 /nfs/dbraw/zinc/31/56/36/606315636.db2.gz XJZIIUSTPQNUQV-MRXNPFEDSA-N 1 0 382.493 2.598 20 0 GFADRO O=C(NC[C@H]1CCC[N@@H+](Cc2cc(-c3nn[nH]n3)ccc2F)C1)c1ccccc1 ZINC000823175252 606379485 /nfs/dbraw/zinc/37/94/85/606379485.db2.gz CZTPSFHYSGMBEX-OAHLLOKOSA-N 1 0 394.454 2.648 20 0 GFADRO Cc1ccc(-c2nn[nH]n2)cc1NC(=O)NCC[N@@H+](C)Cc1ccc(F)cc1 ZINC000822220541 606383488 /nfs/dbraw/zinc/38/34/88/606383488.db2.gz VZLSMKMKHYQKDQ-UHFFFAOYSA-N 1 0 383.431 2.568 20 0 GFADRO CC(C)C[NH+]1CCN(C(=O)c2ccccc2-c2ccccc2-c2nn[nH]n2)CC1 ZINC000820091839 606391300 /nfs/dbraw/zinc/39/13/00/606391300.db2.gz BGFSWFAITCPRMZ-UHFFFAOYSA-N 1 0 390.491 2.948 20 0 GFADRO CSc1nnc(CCC[NH2+]Cc2ccc(-c3nn[nH]n3)s2)n1CC(C)C ZINC000821990877 606420611 /nfs/dbraw/zinc/42/06/11/606420611.db2.gz XNGMIXOZGCZVDS-UHFFFAOYSA-N 1 0 392.558 2.620 20 0 GFADRO CC1(C)C(NC(=O)N2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)C1(C)C ZINC000820585783 606442915 /nfs/dbraw/zinc/44/29/15/606442915.db2.gz PVRGBAIFBBCCMJ-UHFFFAOYSA-N 1 0 397.527 2.519 20 0 GFADRO CC(C)[NH+]1CCC(N(C)Cc2ccc(-c3nn[nH]n3)cc2OC(F)F)CC1 ZINC000820129010 606486474 /nfs/dbraw/zinc/48/64/74/606486474.db2.gz VGLUFDVXYHQIFB-UHFFFAOYSA-N 1 0 380.443 2.773 20 0 GFADRO FC(F)Oc1cc(-c2nn[nH]n2)ccc1C[NH+]1CCC(c2cn[nH]c2)CC1 ZINC000822733224 606487843 /nfs/dbraw/zinc/48/78/43/606487843.db2.gz UDRDCERZOFSBHV-UHFFFAOYSA-N 1 0 375.383 2.571 20 0 GFADRO CC[NH+](CC)[C@@H](CNC(=O)Cc1cccc(-c2nn[nH]n2)c1)c1ccccc1 ZINC000821181026 606493432 /nfs/dbraw/zinc/49/34/32/606493432.db2.gz ISDVEHNTBYDTJR-IBGZPJMESA-N 1 0 378.480 2.609 20 0 GFADRO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@H]1N2C(=O)c1ccc(-c2nn[nH]n2)s1 ZINC000822275412 606498904 /nfs/dbraw/zinc/49/89/04/606498904.db2.gz UMMGKMQDRGCQHB-DZGCQCFKSA-N 1 0 380.477 2.685 20 0 GFADRO FC(F)Oc1cc(-c2nn[nH]n2)ccc1C[N@@H+]1CCC[C@]2(CCCOC2)C1 ZINC000822731931 606511442 /nfs/dbraw/zinc/51/14/42/606511442.db2.gz FHQGXKAADOGOFK-SFHVURJKSA-N 1 0 379.411 2.861 20 0 GFADRO C[C@@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)c1cc(-c2nn[nH]n2)cs1 ZINC000820722814 606545975 /nfs/dbraw/zinc/54/59/75/606545975.db2.gz PEKUZEOQZJVOAU-CQSZACIVSA-N 1 0 382.493 2.665 20 0 GFADRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)Cc1cccc(-c2nn[nH]n2)c1 ZINC000820759800 606571197 /nfs/dbraw/zinc/57/11/97/606571197.db2.gz NUUGCNDHJLNZEC-QGZVFWFLSA-N 1 0 390.491 2.532 20 0 GFADRO CCO[C@@H]1C[C@@H]([NH2+][C@@H]2CCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)C1(CC)CC ZINC000821358491 606621744 /nfs/dbraw/zinc/62/17/44/606621744.db2.gz JFQFCYNHFBFGBE-KZNAEPCWSA-N 1 0 398.511 2.545 20 0 GFADRO C[C@]1(c2ccccc2)CC[N@@H+]([C@@H]2CCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)C1 ZINC000820635996 606717932 /nfs/dbraw/zinc/71/79/32/606717932.db2.gz OJPNGPLDOFEAFX-KNQAVFIVSA-N 1 0 388.475 2.636 20 0 GFADRO CC[C@@H]([NH2+]Cc1ccc(-c2nn[nH]n2)s1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000820926403 606742054 /nfs/dbraw/zinc/74/20/54/606742054.db2.gz SVVRXYUNGRILDC-MSOLQXFVSA-N 1 0 398.536 2.697 20 0 GFADRO CC[C@H]([NH2+]Cc1cccc(-c2nn[nH]n2)c1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000820926630 606742216 /nfs/dbraw/zinc/74/22/16/606742216.db2.gz UIJJIZPQLBCHPD-SFTDATJTSA-N 1 0 392.507 2.636 20 0 GFADRO CCC1(CNC(=O)N(CC[NH+](C)C)Cc2ccc(-c3nn[nH]n3)cc2)CCCC1 ZINC000820961770 606775165 /nfs/dbraw/zinc/77/51/65/606775165.db2.gz ASOFNQJYQVBDHX-UHFFFAOYSA-N 1 0 399.543 2.910 20 0 GFADRO C[C@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@@H+]1Cc1ccc2ccccc2c1 ZINC000820804502 606778975 /nfs/dbraw/zinc/77/89/75/606778975.db2.gz TXHJWGMCELNSGU-HNNXBMFYSA-N 1 0 386.463 2.521 20 0 GFADRO CC(C)C[N@@H+]1CC[C@H](CNc2c(-c3nn[nH]n3)cnc3c(F)ccc(F)c32)C1 ZINC000820092438 606808349 /nfs/dbraw/zinc/80/83/49/606808349.db2.gz LTQGMHMLUWWUET-GFCCVEGCSA-N 1 0 387.438 2.505 20 0 GFADRO CC(C)(C)c1ccc(OCC[NH2+]C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000819958020 606845646 /nfs/dbraw/zinc/84/56/46/606845646.db2.gz GTPXKDHNPWGREH-IBGZPJMESA-N 1 0 381.480 2.866 20 0 GFADRO CCN(CC)[C@H](C[NH2+]C[C@H](O)c1ccc(-c2nn[nH]n2)cc1)c1ccccc1 ZINC000821182740 606845913 /nfs/dbraw/zinc/84/59/13/606845913.db2.gz YKWKUINERDUGAG-UXHICEINSA-N 1 0 380.496 2.573 20 0 GFADRO O[C@H](C[NH2+]Cc1cc(Br)ccc1F)c1ccc(-c2nn[nH]n2)cc1 ZINC000823682182 606853437 /nfs/dbraw/zinc/85/34/37/606853437.db2.gz NPJLAUQGDAFMLF-OAHLLOKOSA-N 1 0 392.232 2.592 20 0 GFADRO O[C@H](C[N@H+](Cc1ccccc1)CC1(O)CCCC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823673674 606914307 /nfs/dbraw/zinc/91/43/07/606914307.db2.gz MAOXPAKCPFEWJG-HXUWFJFHSA-N 1 0 393.491 2.707 20 0 GFADRO O[C@@H](C[N@@H+]1CCC[C@H](c2nc3ccccc3o2)C1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823681648 606920167 /nfs/dbraw/zinc/92/01/67/606920167.db2.gz IBAFCIXUGDWKQT-WMZOPIPTSA-N 1 0 390.447 2.921 20 0 GFADRO CCc1nnc(NC[C@@H](c2ccco2)[NH+](CC)CC)c(-c2nn[nH]n2)c1CC ZINC000821536420 606924668 /nfs/dbraw/zinc/92/46/68/606924668.db2.gz UOJOYEDREGNSFJ-HNNXBMFYSA-N 1 0 384.488 2.870 20 0 GFADRO CCc1nnc(NCc2ccc(F)c(C[NH+](C)C)c2)c(-c2nn[nH]n2)c1CC ZINC000821541992 606935744 /nfs/dbraw/zinc/93/57/44/606935744.db2.gz FMDFXCWTUNGJEJ-UHFFFAOYSA-N 1 0 384.463 2.594 20 0 GFADRO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000820386180 606983427 /nfs/dbraw/zinc/98/34/27/606983427.db2.gz XNOGTGTYHLCTSO-PBHICJAKSA-N 1 0 386.500 2.992 20 0 GFADRO NC(=O)[C@H]([NH2+]CCc1ccc(-c2ccccc2)cc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000822850835 606987741 /nfs/dbraw/zinc/98/77/41/606987741.db2.gz RNFDDDKWHUGAKG-OAQYLSRUSA-N 1 0 398.470 2.892 20 0 GFADRO Fc1ccc2c(c1)CC[C@@H]2[NH2+]C1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1 ZINC000822786586 607046907 /nfs/dbraw/zinc/04/69/07/607046907.db2.gz MWVOWWLMSXJKPL-SFHVURJKSA-N 1 0 379.443 2.647 20 0 GFADRO COc1cccc(NC(=O)C[C@H](C)[NH2+][C@H](C)c2cccc(-c3nn[nH]n3)c2)c1 ZINC000821872688 607087257 /nfs/dbraw/zinc/08/72/57/607087257.db2.gz NSMQQTKMOGGUJJ-UONOGXRCSA-N 1 0 380.452 2.943 20 0 GFADRO COc1ccccc1NC(=O)C[C@@H](C)[NH2+][C@H](C)c1cccc(-c2nn[nH]n2)c1 ZINC000821896790 607088512 /nfs/dbraw/zinc/08/85/12/607088512.db2.gz BIUMPELURICWEB-ZIAGYGMSSA-N 1 0 380.452 2.943 20 0 GFADRO COc1ccc(NC(=O)C[C@@H](C)[NH2+][C@H](C)c2cccc(-c3nn[nH]n3)c2)cc1 ZINC000821831785 607088604 /nfs/dbraw/zinc/08/86/04/607088604.db2.gz MKJDOSXKXKTUAM-ZIAGYGMSSA-N 1 0 380.452 2.943 20 0 GFADRO CCOc1ccc(NC(=O)CC[N@H+](C)Cc2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000821422320 607101137 /nfs/dbraw/zinc/10/11/37/607101137.db2.gz UBFWHBXZKCNOIY-UHFFFAOYSA-N 1 0 380.452 2.726 20 0 GFADRO CC(C)C[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)Cc1ccc2c(c1)nnn2C ZINC000820092071 607174365 /nfs/dbraw/zinc/17/43/65/607174365.db2.gz GSDXAJBZTUAPAF-UHFFFAOYSA-N 1 0 376.468 2.807 20 0 GFADRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)Nc1ccc(-c2nn[nH]n2)cc1Cl ZINC000820697914 607202453 /nfs/dbraw/zinc/20/24/53/607202453.db2.gz NVDXRDYRKINTQI-TXEJJXNPSA-N 1 0 377.880 2.905 20 0 GFADRO C[C@H]1C[C@H](CCNC(=O)c2cccc(-c3nn[nH]n3)c2)C[N@@H+]1Cc1ccccc1 ZINC000824885102 607795652 /nfs/dbraw/zinc/79/56/52/607795652.db2.gz REDBEQTYHNSPKA-WMZOPIPTSA-N 1 0 390.491 2.897 20 0 GFADRO Fc1cc2c(c(F)c1)CC[C@@H]2[NH2+]C1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1 ZINC000826372846 607813131 /nfs/dbraw/zinc/81/31/31/607813131.db2.gz NXRHHFBNXGJMRO-SFHVURJKSA-N 1 0 397.433 2.786 20 0 GFADRO Cc1cc(-c2nn[nH]n2)ccc1C(=O)NC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000826245509 607825098 /nfs/dbraw/zinc/82/50/98/607825098.db2.gz ABKMTGZJQOTZFS-UHFFFAOYSA-N 1 0 378.480 2.816 20 0 GFADRO C[N@H+](CCS(=O)(=O)c1cccc(-c2nn[nH]n2)c1)C1CCCCCCC1 ZINC000825946431 607827966 /nfs/dbraw/zinc/82/79/66/607827966.db2.gz XYAVVFIGNGTGCE-UHFFFAOYSA-N 1 0 377.514 2.685 20 0 GFADRO COc1cc(-c2nn[nH]n2)ccc1OCC[NH+]1CCC(c2ccccn2)CC1 ZINC000826175338 607830686 /nfs/dbraw/zinc/83/06/86/607830686.db2.gz BBSPMFSTLOEQDF-UHFFFAOYSA-N 1 0 380.452 2.529 20 0 GFADRO O[C@H]1C[C@H](c2ccc(F)cc2)[N@H+](CCCOc2cccc(-c3nn[nH]n3)c2)C1 ZINC000826505929 607943490 /nfs/dbraw/zinc/94/34/90/607943490.db2.gz ILSDOWGDCNJRDU-PKOBYXMFSA-N 1 0 383.427 2.583 20 0 GFADRO C[NH+](C)CCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)C1CCC(F)(F)CC1 ZINC000825866278 607975913 /nfs/dbraw/zinc/97/59/13/607975913.db2.gz URTJKJNJSNNTAC-UHFFFAOYSA-N 1 0 392.454 2.582 20 0 GFADRO C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H](CC(C)C)c2ccccc2)c1-c1nn[nH]n1 ZINC000826073397 608021807 /nfs/dbraw/zinc/02/18/07/608021807.db2.gz QOJRPBJMXLNAIV-HNNXBMFYSA-N 1 0 396.499 2.510 20 0 GFADRO COc1ccc([C@@](C)(O)[C@@H]2CCC[N@@H+]2Cc2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000826188041 608064453 /nfs/dbraw/zinc/06/44/53/608064453.db2.gz MCCVEKLHPNNSPK-PZJWPPBQSA-N 1 0 379.464 2.747 20 0 GFADRO COc1ccc([C@](C)(O)[C@@H]2CCC[N@@H+]2Cc2ccccc2-c2nn[nH]n2)cc1 ZINC000826188130 608064565 /nfs/dbraw/zinc/06/45/65/608064565.db2.gz OGVXEQHSQWDGSS-FPOVZHCZSA-N 1 0 379.464 2.747 20 0 GFADRO O=C(C[N@@H+]1CC[C@@H](C2CC2)C1)Nc1sc2c(c1-c1nn[nH]n1)CCCCC2 ZINC000826410169 608173124 /nfs/dbraw/zinc/17/31/24/608173124.db2.gz FFRGIDMLSCTFJK-CYBMUJFWSA-N 1 0 386.525 2.868 20 0 GFADRO CC(C)C[N@@H+]1Cc2cccc(NC(=O)COc3cccc(-c4nn[nH]n4)c3)c2C1 ZINC000824261795 608196389 /nfs/dbraw/zinc/19/63/89/608196389.db2.gz QRCRKGBKVHIKKA-UHFFFAOYSA-N 1 0 392.463 2.856 20 0 GFADRO Cc1ccc(-c2nn[nH]n2)c(NCCCC[NH+]2CCN(c3ccccc3)CC2)n1 ZINC000826276390 608275805 /nfs/dbraw/zinc/27/58/05/608275805.db2.gz DTZKIQOUOQBMIM-UHFFFAOYSA-N 1 0 392.511 2.584 20 0 GFADRO O=C(C=Cc1ccccc1-c1nn[nH]n1)OCC1CC[NH+](Cc2ccco2)CC1 ZINC000826402317 608276256 /nfs/dbraw/zinc/27/62/56/608276256.db2.gz QVNQFORVWIYCRA-FPLPWBNLSA-N 1 0 393.447 2.928 20 0 GFADRO C[C@@H]1C[C@@H]([NH2+]CCOc2ccc(-c3nn[nH]n3)cc2)CCN1Cc1ccccc1 ZINC000824893852 608282780 /nfs/dbraw/zinc/28/27/80/608282780.db2.gz VSIHSZMDGBLCIZ-XLIONFOSSA-N 1 0 392.507 2.888 20 0 GFADRO COc1cc(-c2nn[nH]n2)ccc1C[N@@H+]1CCC[C@H]1C[C@H](O)c1ccccc1 ZINC000826169126 608367459 /nfs/dbraw/zinc/36/74/59/608367459.db2.gz IYSOWLYCSWRFOB-OALUTQOASA-N 1 0 379.464 2.963 20 0 GFADRO CS[C@H]1CN(c2c(-c3nn[nH]n3)cnc3ccc(Cl)cc32)C[C@H]1[NH+](C)C ZINC000826227668 608382719 /nfs/dbraw/zinc/38/27/19/608382719.db2.gz VHWRMTPSUKSPRS-CABCVRRESA-N 1 0 389.916 2.550 20 0 GFADRO COCC[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)C[C@@H](O)c1ccc(Cl)cc1 ZINC000826158942 608388970 /nfs/dbraw/zinc/38/89/70/608388970.db2.gz JXRDLGVRYMUZLU-GOSISDBHSA-N 1 0 387.871 2.702 20 0 GFADRO C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNc3ccc(-c4nn[nH]n4)nn3)cc2)C1 ZINC000824875945 608399269 /nfs/dbraw/zinc/39/92/69/608399269.db2.gz PRJNTHSLUFLUMC-GJZGRUSLSA-N 1 0 378.484 2.747 20 0 GFADRO C[N@H+](CCNC(=O)N1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1)C1CCCC1 ZINC000825941492 608406794 /nfs/dbraw/zinc/40/67/94/608406794.db2.gz JWDWBDGWCMGYMS-UHFFFAOYSA-N 1 0 395.511 2.540 20 0 GFADRO COc1ccc([C@@H](C)[NH2+]CCC(=O)Nc2ccc(-c3nn[nH]n3)cc2)cc1F ZINC000826188367 608428207 /nfs/dbraw/zinc/42/82/07/608428207.db2.gz VDRCFYUMNGQFJL-GFCCVEGCSA-N 1 0 384.415 2.694 20 0 GFADRO C[C@H]([NH2+]CCC(=O)Nc1sccc1-c1nn[nH]n1)c1c(F)cccc1F ZINC000824585789 608433512 /nfs/dbraw/zinc/43/35/12/608433512.db2.gz TXYSAGMJRMVOIS-VIFPVBQESA-N 1 0 378.408 2.886 20 0 GFADRO CC(C)Oc1ccccc1[C@H](C)[NH2+]C[C@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000824334483 608453169 /nfs/dbraw/zinc/45/31/69/608453169.db2.gz VNHGLGFKBNSARG-RDJZCZTQSA-N 1 0 397.479 2.744 20 0 GFADRO CC(C)Oc1cccc([C@@H](C)[NH2+]C[C@H](O)COc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000824333216 608454411 /nfs/dbraw/zinc/45/44/11/608454411.db2.gz GPFFTVDPUPYUAL-QAPCUYQASA-N 1 0 397.479 2.744 20 0 GFADRO C[C@H]([NH2+]CCS(=O)(=O)c1ccc(Cl)cc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824599446 608459484 /nfs/dbraw/zinc/45/94/84/608459484.db2.gz OUEMGGKPPAZNRQ-LBPRGKRZSA-N 1 0 391.884 2.645 20 0 GFADRO COc1ccc(F)cc1[C@@H](C)[NH2+]CCOc1ccc(-c2nn[nH]n2)cc1OC ZINC000826176215 608460168 /nfs/dbraw/zinc/46/01/68/608460168.db2.gz GUURHDSBMVOYMF-GFCCVEGCSA-N 1 0 387.415 2.753 20 0 GFADRO C[C@@H]([NH2+]CC(=O)N(C)[C@@H](C)c1ccc(F)cc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824554369 608460428 /nfs/dbraw/zinc/46/04/28/608460428.db2.gz OZPREOOKLRLFAJ-KGLIPLIRSA-N 1 0 382.443 2.876 20 0 GFADRO O[C@@H](COc1ccc(F)cc1)C[N@H+]1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826504672 608461167 /nfs/dbraw/zinc/46/11/67/608461167.db2.gz AYXFXDSDHOCKHH-LJQANCHMSA-N 1 0 395.438 2.535 20 0 GFADRO O[C@H](COc1ccc(F)cc1)C[N@H+]1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826504671 608461179 /nfs/dbraw/zinc/46/11/79/608461179.db2.gz AYXFXDSDHOCKHH-IBGZPJMESA-N 1 0 395.438 2.535 20 0 GFADRO CC(C)[NH+]1CCN(c2cccc(NC(=O)c3cc(-c4nn[nH]n4)cs3)c2)CC1 ZINC000824300372 608473079 /nfs/dbraw/zinc/47/30/79/608473079.db2.gz FQRPQBBJKPUKKB-UHFFFAOYSA-N 1 0 397.508 2.711 20 0 GFADRO COc1cc(-c2nn[nH]n2)ccc1C[NH2+][C@@H](C)c1cccc(N2CCOC2=O)c1 ZINC000826169856 608475581 /nfs/dbraw/zinc/47/55/81/608475581.db2.gz HSEPHRXILSSAII-ZDUSSCGKSA-N 1 0 394.435 2.683 20 0 GFADRO OCC1CC[NH+](Cc2ccccc2NCc2cccc(-c3nn[nH]n3)c2F)CC1 ZINC000826509279 608481581 /nfs/dbraw/zinc/48/15/81/608481581.db2.gz QPECDMJMGZQXHP-UHFFFAOYSA-N 1 0 396.470 2.822 20 0 GFADRO Cc1ccccc1C[C@@H](C)NC(=O)C[NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1 ZINC000826307233 608482766 /nfs/dbraw/zinc/48/27/66/608482766.db2.gz ZPCZQTXGUIBEQL-CVEARBPZSA-N 1 0 378.480 2.573 20 0 GFADRO C[C@@H]([NH2+]CCCCN1C(=O)c2ccccc2C1=O)c1cccc(-c2nn[nH]n2)c1 ZINC000824586272 608487539 /nfs/dbraw/zinc/48/75/39/608487539.db2.gz XGLCGSIVNSBVQL-CQSZACIVSA-N 1 0 390.447 2.594 20 0 GFADRO COc1ccccc1[C@@H](C)N(C)C(=O)C[NH2+][C@H](C)c1cccc(-c2nn[nH]n2)c1 ZINC000826219131 608488810 /nfs/dbraw/zinc/48/88/10/608488810.db2.gz UGTKVDQNVPZTBA-HUUCEWRRSA-N 1 0 394.479 2.746 20 0 GFADRO C[C@@H]1CN(C(C)(C)C[NH2+][C@H]2CCCc3cc(-c4nn[nH]n4)ccc32)C[C@H](C)O1 ZINC000824978795 608498450 /nfs/dbraw/zinc/49/84/50/608498450.db2.gz XNKQKPMEKFPBSN-KHYOSLBOSA-N 1 0 384.528 2.722 20 0 GFADRO CC[C@@H]1CN(C(=O)C2CC2)CC[C@@H]1[NH2+][C@H]1CCCc2cc(-c3nn[nH]n3)ccc21 ZINC000825201183 608514577 /nfs/dbraw/zinc/51/45/77/608514577.db2.gz FGOLETFCJIJAMB-UAOJZALGSA-N 1 0 394.523 2.871 20 0 GFADRO Cc1oc2ccccc2c1C[NH+]1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1 ZINC000826342339 608517298 /nfs/dbraw/zinc/51/72/98/608517298.db2.gz GVVSSEILFZNFNM-UHFFFAOYSA-N 1 0 375.436 2.639 20 0 GFADRO c1ccc(-c2nn[nH]n2)c(COc2cccc(CN3CC[NH+](C4CC4)CC3)c2)c1 ZINC000826515728 608517821 /nfs/dbraw/zinc/51/78/21/608517821.db2.gz ISZCVAFMDKZZRY-UHFFFAOYSA-N 1 0 390.491 2.726 20 0 GFADRO Cc1ccccc1[C@@H]([NH2+]CCS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)C(C)C ZINC000826306379 608520101 /nfs/dbraw/zinc/52/01/01/608520101.db2.gz XMCYIMYFVCJTPF-IBGZPJMESA-N 1 0 399.520 2.936 20 0 GFADRO O=C(CC1CCCCC1)NCC[NH2+][C@H]1CCCc2cc(-c3nn[nH]n3)ccc21 ZINC000826404415 608521902 /nfs/dbraw/zinc/52/19/02/608521902.db2.gz ZZNAQGUYQVAEJY-IBGZPJMESA-N 1 0 382.512 2.920 20 0 GFADRO COc1cc(-c2nn[nH]n2)ccc1OCC[NH2+][C@H](c1ccccc1)[C@H]1CCOC1 ZINC000826176477 608527776 /nfs/dbraw/zinc/52/77/76/608527776.db2.gz QRXWLDZSMONVQV-FXAWDEMLSA-N 1 0 395.463 2.622 20 0 GFADRO O[C@@H](C[NH2+][C@@H](CC1CC1)c1ccccc1)COc1ccc(-c2nn[nH]n2)cc1 ZINC000826502279 608528118 /nfs/dbraw/zinc/52/81/18/608528118.db2.gz AMEYIMIGHGELHF-ICSRJNTNSA-N 1 0 379.464 2.737 20 0 GFADRO CC(C)N(C(=O)C[NH2+]C1(c2cccc(-c3nn[nH]n3)c2)CC1)c1ccccc1 ZINC000824284661 608528903 /nfs/dbraw/zinc/52/89/03/608528903.db2.gz LOSKMSHKVUAMHY-UHFFFAOYSA-N 1 0 376.464 2.887 20 0 GFADRO O=C(C[NH2+]C1(c2cccc(-c3nn[nH]n3)c2)CC1)Nc1ccc(F)cc1Cl ZINC000826412553 608532719 /nfs/dbraw/zinc/53/27/19/608532719.db2.gz SGYJVFQTGFERFA-UHFFFAOYSA-N 1 0 386.818 2.877 20 0 GFADRO CC[N@H+](Cc1cnc(N2CCOCC2)s1)[C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000825445274 608551516 /nfs/dbraw/zinc/55/15/16/608551516.db2.gz YVOABLQTKNALBO-CQSZACIVSA-N 1 0 399.524 2.743 20 0 GFADRO C[C@H]([NH2+]C[C@@H](O)COc1ccc(-c2nn[nH]n2)cc1)c1c(F)cccc1Cl ZINC000824568580 608553224 /nfs/dbraw/zinc/55/32/24/608553224.db2.gz ASOCOGUIKVZJLY-WCQYABFASA-N 1 0 391.834 2.750 20 0 GFADRO Fc1cccc(C[C@H]2CCC[N@@H+]2Cc2cnc3ccc(-c4nn[nH]n4)cn23)c1 ZINC000826376640 608609717 /nfs/dbraw/zinc/60/97/17/608609717.db2.gz MCGWJRREIZBBQC-QGZVFWFLSA-N 1 0 377.427 2.861 20 0 GFADRO CN(C[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C1)C(=O)OC(C)(C)C ZINC000825909450 608680854 /nfs/dbraw/zinc/68/08/54/608680854.db2.gz YOVSAURDKKMCMF-GFCCVEGCSA-N 1 0 378.502 2.617 20 0 GFADRO C[C@H]1C[N@H+](Cc2cc(-c3nn[nH]n3)cs2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000824983473 608700843 /nfs/dbraw/zinc/70/08/43/608700843.db2.gz AELJXSMRJCCGSM-FZMZJTMJSA-N 1 0 378.502 2.663 20 0 GFADRO O=C(C[C@H]1CCC[N@@H+]1Cc1cnc2ccc(-c3nn[nH]n3)cn12)c1ccccc1 ZINC000826404955 608729131 /nfs/dbraw/zinc/72/91/31/608729131.db2.gz RAJWEWRTNCYDTM-QGZVFWFLSA-N 1 0 387.447 2.752 20 0 GFADRO CC(C)c1cnc(CN(C)[C@H]2CC[N@H+](Cc3cc(-c4nn[nH]n4)cs3)C2)o1 ZINC000824352787 608739055 /nfs/dbraw/zinc/73/90/55/608739055.db2.gz NRUNMHPYXPYERB-AWEZNQCLSA-N 1 0 387.513 2.746 20 0 GFADRO CCO[C@@H]1C[C@H]([N@H+](C)Cc2cnc3ccc(-c4nn[nH]n4)cn23)C1(CC)CC ZINC000825581929 608830596 /nfs/dbraw/zinc/83/05/96/608830596.db2.gz GLSSGTCKPSGOCK-DLBZAZTESA-N 1 0 383.500 2.930 20 0 GFADRO Cc1cccc(C)c1OC[C@@H](O)C[NH2+][C@@H](C)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000826297189 609137514 /nfs/dbraw/zinc/13/75/14/609137514.db2.gz YILCHZVGIBNONU-HOCLYGCPSA-N 1 0 385.443 2.713 20 0 GFADRO C[C@H]([NH2+][C@H](CNC(=O)OC(C)(C)C)C1CC1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824530223 609145486 /nfs/dbraw/zinc/14/54/86/609145486.db2.gz KCKSQWOWOHGRMY-MEDUHNTESA-N 1 0 390.463 2.960 20 0 GFADRO C[C@@H]([NH2+]CCc1nc2c(cccc2F)n1C)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824606594 609150716 /nfs/dbraw/zinc/15/07/16/609150716.db2.gz QKPVWNWFQDHTML-LLVKDONJSA-N 1 0 383.406 2.925 20 0 GFADRO C[C@H](Cc1cccc(F)c1)[NH2+][C@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000824457108 609169070 /nfs/dbraw/zinc/16/90/70/609169070.db2.gz FEKGPUWVLVNKPM-KUHUBIRLSA-N 1 0 394.454 2.722 20 0 GFADRO C[C@@H](CSC(C)(C)C)[NH2+][C@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000824450060 609169882 /nfs/dbraw/zinc/16/98/82/609169882.db2.gz RKPXCSRIQWJUTO-BBRMVZONSA-N 1 0 388.541 2.872 20 0 GFADRO c1cc(-c2nn[nH]n2)sc1C[N@H+]1CC=C(c2ccc3c(c2)OCCO3)CC1 ZINC000823867934 609173080 /nfs/dbraw/zinc/17/30/80/609173080.db2.gz KCPKWAJDMOTABK-UHFFFAOYSA-N 1 0 381.461 2.989 20 0 GFADRO C[C@@H]([NH2+]C[C@@H]1COC2(CCC(C)CC2)O1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824919119 609256346 /nfs/dbraw/zinc/25/63/46/609256346.db2.gz RVEFRLNYBYKGTE-GHGJTTARSA-N 1 0 375.448 2.978 20 0 GFADRO C[NH+](C)Cc1cc(CNC(=O)c2ccc(Cl)c(-c3nn[nH]n3)c2)ccc1F ZINC000825870687 609292057 /nfs/dbraw/zinc/29/20/57/609292057.db2.gz YIPMPCKIUBAYSS-UHFFFAOYSA-N 1 0 388.834 2.651 20 0 GFADRO C[C@@H](NC(=O)N[C@@H](C)c1cccc(-c2nn[nH]n2)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000824490437 609303289 /nfs/dbraw/zinc/30/32/89/609303289.db2.gz PKEFNWIJSZSNIW-HDMKZQKVSA-N 1 0 397.527 2.880 20 0 GFADRO C[C@@H](NC(=O)N(C)Cc1ccc(-c2nn[nH]n2)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000824488676 609317717 /nfs/dbraw/zinc/31/77/17/609317717.db2.gz HDIHOFVRLIELEK-QAPCUYQASA-N 1 0 397.527 2.661 20 0 GFADRO COc1cccc([C@H](C[NH2+][C@H](C)c2ccc(-c3nn[nH]n3)cc2F)N(C)C)c1 ZINC000826214685 609322402 /nfs/dbraw/zinc/32/24/02/609322402.db2.gz TWDVEHJPGKSWIF-YJYMSZOUSA-N 1 0 384.459 2.968 20 0 GFADRO C[C@H]1CCCC[C@H]1OCC[NH2+]Cc1cn(C)nc1-c1ccc(-c2nn[nH]n2)cc1 ZINC000824935423 609336707 /nfs/dbraw/zinc/33/67/07/609336707.db2.gz AZNGTYDONVBHEA-HNAYVOBHSA-N 1 0 395.511 2.952 20 0 GFADRO C[C@H](CC[NH2+][C@@H](C)c1ccc(-c2nn[nH]n2)cc1F)NC(=O)OC(C)(C)C ZINC000824402650 609340629 /nfs/dbraw/zinc/34/06/29/609340629.db2.gz XOVOEAUFRRQHRA-NEPJUHHUSA-N 1 0 378.452 2.960 20 0 GFADRO Cn1cc(C[NH2+]CCc2ccc(Cl)nc2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826361644 609341666 /nfs/dbraw/zinc/34/16/66/609341666.db2.gz GZZPKPMFBVJMRJ-UHFFFAOYSA-N 1 0 394.870 2.648 20 0 GFADRO COc1cccc([C@@H]2[C@@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)CCN2C2CC2)c1 ZINC000826215267 609346435 /nfs/dbraw/zinc/34/64/35/609346435.db2.gz KITZQKVYKZHMNC-LEWJYISDSA-N 1 0 390.491 2.943 20 0 GFADRO C[C@@H](Nc1ccc(N2CC[NH+](C)CC2)cc1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824658589 609349222 /nfs/dbraw/zinc/34/92/22/609349222.db2.gz YOUNTODRUDWRKY-CQSZACIVSA-N 1 0 381.459 2.931 20 0 GFADRO Brc1cc(-c2nn[nH]n2)ccc1CN1CCO[C@H]2CCCC[C@@H]21 ZINC000823821766 609357986 /nfs/dbraw/zinc/35/79/86/609357986.db2.gz ZRVLKSXAHKNSMO-GJZGRUSLSA-N 1 0 378.274 2.773 20 0 GFADRO Brc1cc(-c2nn[nH]n2)ccc1C[N@@H+]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000823821482 609365459 /nfs/dbraw/zinc/36/54/59/609365459.db2.gz URZSBJLZOZVZRR-HIFRSBDPSA-N 1 0 392.301 2.878 20 0 GFADRO CCC(CC)(C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1Br)C(=O)OC ZINC000825090304 609366476 /nfs/dbraw/zinc/36/64/76/609366476.db2.gz WDNAAOYRIPKHQA-UHFFFAOYSA-N 1 0 396.289 2.698 20 0 GFADRO CC[N@@H+]1CCC[C@@H](NC(=O)c2ccccc2Oc2ccccc2-c2nn[nH]n2)C1 ZINC000825452823 609381033 /nfs/dbraw/zinc/38/10/33/609381033.db2.gz QTRDELDEQPIWFG-OAHLLOKOSA-N 1 0 392.463 2.873 20 0 GFADRO C[N@@H+]1CCC[C@@H](CNC(=O)c2ccccc2Oc2ccccc2-c2nn[nH]n2)C1 ZINC000826029058 609381294 /nfs/dbraw/zinc/38/12/94/609381294.db2.gz NJZMYIGNUSOCPK-HNNXBMFYSA-N 1 0 392.463 2.731 20 0 GFADRO CSc1ccc(C[NH2+][C@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)cc1 ZINC000826230998 609414992 /nfs/dbraw/zinc/41/49/92/609414992.db2.gz SBHXCJOQPVXNCO-SFHVURJKSA-N 1 0 394.504 2.874 20 0 GFADRO Cc1cc(C)cc(CC[NH2+][C@@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)c1 ZINC000826264604 609417576 /nfs/dbraw/zinc/41/75/76/609417576.db2.gz UBRWQXPMZPUIJP-HXUWFJFHSA-N 1 0 390.491 2.811 20 0 GFADRO c1csc(C[N@H+]2CCC[C@H](CNc3nc4ccccn4c3-c3nn[nH]n3)C2)c1 ZINC000826525872 609467443 /nfs/dbraw/zinc/46/74/43/609467443.db2.gz CGCWZMYIXWBDKB-CQSZACIVSA-N 1 0 394.508 2.900 20 0 GFADRO COC[C@@H](C[NH2+]Cc1cc(Br)cc(Br)c1N)OC ZINC000274389625 655186610 /nfs/dbraw/zinc/18/66/10/655186610.db2.gz CSIUPVSVAPXBDW-SNVBAGLBSA-N 1 0 382.096 2.545 20 0 GFADRO Cc1cc(Br)cn2c(CNc3ccn(CC[NH+](C)C)n3)cnc12 ZINC000543241047 650904706 /nfs/dbraw/zinc/90/47/06/650904706.db2.gz YYJYIZMTNAPFGU-UHFFFAOYSA-N 1 0 377.290 2.775 20 0 GFADRO C[C@@H](Cc1ccc(F)cc1Cl)[NH2+]C1CCN(CCS(C)(=O)=O)CC1 ZINC000817578837 660201497 /nfs/dbraw/zinc/20/14/97/660201497.db2.gz YTGGHXSPVIIOTJ-ZDUSSCGKSA-N 1 0 376.925 2.509 20 0 GFADRO CC[N@H+](CCNC(=O)/C(=C/c1cccs1)NC(C)=O)CCC(F)(F)F ZINC000817597201 660202221 /nfs/dbraw/zinc/20/22/21/660202221.db2.gz WVIYEYLXDRLUAV-KAMYIIQDSA-N 1 0 377.432 2.616 20 0 GFADRO Cc1ccc(-n2nc(Br)cc2C(=O)N2CC[NH2+]C(C)(C)C2)cc1 ZINC000817994872 660212992 /nfs/dbraw/zinc/21/29/92/660212992.db2.gz MZCQIJAPRABONE-UHFFFAOYSA-N 1 0 377.286 2.767 20 0 GFADRO CC(C)(C)NS(=O)(=O)c1cc(C(=O)N[C@@H](C[NH3+])C(C)(C)C)ccc1Cl ZINC000818002771 660213183 /nfs/dbraw/zinc/21/31/83/660213183.db2.gz FVBUNVSGHDXWEJ-AWEZNQCLSA-N 1 0 389.949 2.520 20 0 GFADRO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(C(=O)/C=C\c2ccc(Br)o2)CC1 ZINC000818011067 660213388 /nfs/dbraw/zinc/21/33/88/660213388.db2.gz UUMPORCQLUBPLE-PDWNWXNCSA-N 1 0 383.286 2.800 20 0 GFADRO CN(C(=O)c1cc(F)ccc1I)C1CCC([NH3+])CC1 ZINC000818528716 660228217 /nfs/dbraw/zinc/22/82/17/660228217.db2.gz BQIDFWLHLUWFSV-UHFFFAOYSA-N 1 0 376.213 2.772 20 0 GFADRO O=C(NCC[NH2+]C[C@@H](O)c1ccc(F)c(Br)c1)c1cccs1 ZINC000818962922 660238960 /nfs/dbraw/zinc/23/89/60/660238960.db2.gz AXPRDFRGKWTGPM-CYBMUJFWSA-N 1 0 387.274 2.703 20 0 GFADRO CS(=O)(=O)c1ccc(C[NH2+]C[C@H](O)c2ccc(Br)cc2)cc1 ZINC000818958527 660238553 /nfs/dbraw/zinc/23/85/53/660238553.db2.gz PKOIJKICZNTRGG-INIZCTEOSA-N 1 0 384.295 2.676 20 0 GFADRO COCCOc1ncccc1C[NH2+]C[C@H](O)c1cccc(Br)c1 ZINC000818975452 660240182 /nfs/dbraw/zinc/24/01/82/660240182.db2.gz QKMKTCLJPRGFFT-INIZCTEOSA-N 1 0 381.270 2.693 20 0 GFADRO COC(=O)N1CCC[C@@H]([NH2+]C[C@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000819004124 660243168 /nfs/dbraw/zinc/24/31/68/660243168.db2.gz WCBMQDSOUGGWJL-OLZOCXBDSA-N 1 0 377.268 2.554 20 0 GFADRO O=C1NCCc2ccc(C[NH2+]C[C@H](O)c3ccc(F)c(Br)c3)cc21 ZINC000819227344 660251047 /nfs/dbraw/zinc/25/10/47/660251047.db2.gz CQBSXLFAGOSBQA-KRWDZBQOSA-N 1 0 393.256 2.697 20 0 GFADRO O[C@@H](C[NH2+][C@@H]1CCOC2(CCOCC2)C1)c1ccc(F)c(Br)c1 ZINC000819177822 660248970 /nfs/dbraw/zinc/24/89/70/660248970.db2.gz WOLHJLROADHDSF-CJNGLKHVSA-N 1 0 388.277 2.939 20 0 GFADRO COCCn1cc2c(n1)[C@H]([NH2+]C[C@H](O)c1cccc(Br)c1)CCC2 ZINC000819220811 660250551 /nfs/dbraw/zinc/25/05/51/660250551.db2.gz TXKFFTGYJVZYGM-SJORKVTESA-N 1 0 394.313 2.993 20 0 GFADRO Cn1ccnc1[C@@H]1C[C@H]([NH2+]C[C@H](O)c2ccccc2Br)CCO1 ZINC000819360723 660256803 /nfs/dbraw/zinc/25/68/03/660256803.db2.gz KLSGWHUGTIDOSF-KCXAZCMYSA-N 1 0 380.286 2.726 20 0 GFADRO CC(C)(C)OC(=O)NCC[C@H](O)C[NH2+]Cc1ccsc1Br ZINC000819292475 660253792 /nfs/dbraw/zinc/25/37/92/660253792.db2.gz IZYQISJHRIYKRC-NSHDSACASA-N 1 0 379.320 2.876 20 0 GFADRO CN(C[C@@H](O)C[NH2+]Cc1ccsc1Br)C(=O)OC(C)(C)C ZINC000819293833 660253991 /nfs/dbraw/zinc/25/39/91/660253991.db2.gz UHOVSESTRQVLOA-NSHDSACASA-N 1 0 379.320 2.828 20 0 GFADRO CS(=O)(=O)C1(C[NH2+]C[C@H](O)c2ccc(F)c(Br)c2)CCCC1 ZINC000819307636 660254380 /nfs/dbraw/zinc/25/43/80/660254380.db2.gz BXRFTYYKGJQHSK-AWEZNQCLSA-N 1 0 394.306 2.569 20 0 GFADRO Cc1cc(Br)cc(C)c1N1CCC[C@@H]([NH2+]C[C@H](O)C2CC2)C1=O ZINC000819309682 660254522 /nfs/dbraw/zinc/25/45/22/660254522.db2.gz PHZYQRYCFJWDLU-CVEARBPZSA-N 1 0 381.314 2.922 20 0 GFADRO CCOC(=O)N1CC[C@@H]([NH2+]C[C@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000819238470 660251444 /nfs/dbraw/zinc/25/14/44/660251444.db2.gz GNEOZKZOKLCANI-OLZOCXBDSA-N 1 0 377.268 2.554 20 0 GFADRO CCOC(=O)N1CC[C@H]([NH2+]C[C@@](C)(O)c2ccc(Br)cc2F)C1 ZINC000819239327 660251454 /nfs/dbraw/zinc/25/14/54/660251454.db2.gz RRMMVKYOVKGQCO-BLLLJJGKSA-N 1 0 389.265 2.616 20 0 GFADRO Cc1ccc(Br)c(C[NH2+]C[C@@H](O)c2ccc(S(C)(=O)=O)cc2)c1 ZINC000819371549 660257341 /nfs/dbraw/zinc/25/73/41/660257341.db2.gz LHXYRYHXVLVOJU-QGZVFWFLSA-N 1 0 398.322 2.984 20 0 GFADRO Clc1ncc(Br)cc1C[NH2+]C[C@@H]1COC2(CCOCC2)O1 ZINC000842699269 661349769 /nfs/dbraw/zinc/34/97/69/661349769.db2.gz PFYNWWKTEGQIET-GFCCVEGCSA-N 1 0 377.666 2.509 20 0 GFADRO COc1cc(/C=C/C(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)cc(Br)c1O ZINC000819717732 660267800 /nfs/dbraw/zinc/26/78/00/660267800.db2.gz JLDVTPIUJQIZQF-XPKDBEDXSA-N 1 0 395.297 2.729 20 0 GFADRO CC(C)(C[NH+]1CCOCC1)C(=O)NC[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000820094734 660280782 /nfs/dbraw/zinc/28/07/82/660280782.db2.gz OIKKRGYVAFKIKL-HNNXBMFYSA-N 1 0 375.296 2.501 20 0 GFADRO O=C(c1csc(Br)n1)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000820478725 660294800 /nfs/dbraw/zinc/29/48/00/660294800.db2.gz MLVQBTJBDOZXMZ-UHFFFAOYSA-N 1 0 388.331 2.623 20 0 GFADRO CN(C(=O)c1cc(N)nc(Br)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000820954290 660311212 /nfs/dbraw/zinc/31/12/12/660311212.db2.gz VBVKLCVSZUFSHI-OAHLLOKOSA-N 1 0 389.297 2.773 20 0 GFADRO C[NH+](C)CCn1cc(NC(=O)c2cc(F)c(Cl)c(N)c2Cl)ccc1=O ZINC000821318607 660320850 /nfs/dbraw/zinc/32/08/50/660320850.db2.gz FBPZBIQJMWDAOM-UHFFFAOYSA-N 1 0 387.242 2.690 20 0 GFADRO C[C@]1(C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1(Br)Br ZINC000822432999 660345446 /nfs/dbraw/zinc/34/54/46/660345446.db2.gz IUXRRIICPSBNFM-JBLDHEPKSA-N 1 0 380.124 2.626 20 0 GFADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1cc2c(ccc(F)c2Br)[nH]1 ZINC000822879464 660356455 /nfs/dbraw/zinc/35/64/55/660356455.db2.gz UBDUCQWYKWKBQT-MNOVXSKESA-N 1 0 396.260 2.663 20 0 GFADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1cc2c(Br)cccc2cn1 ZINC000822879758 660356477 /nfs/dbraw/zinc/35/64/77/660356477.db2.gz WFIZFROGLAPUDQ-UONOGXRCSA-N 1 0 390.281 2.590 20 0 GFADRO C[NH+](C)CCn1ccc(NC(=O)C(F)(F)c2ccccc2Br)n1 ZINC000822883925 660356727 /nfs/dbraw/zinc/35/67/27/660356727.db2.gz URRDSGPASMYCLR-UHFFFAOYSA-N 1 0 387.228 2.938 20 0 GFADRO Cc1cc(C(=O)N2CCC(C[N@@H+](CCO)C(C)C)CC2)cnc1Br ZINC000822897134 660357174 /nfs/dbraw/zinc/35/71/74/660357174.db2.gz ADOZQIYTGRASBO-UHFFFAOYSA-N 1 0 398.345 2.707 20 0 GFADRO COc1cc(Br)c(Cc2noc([C@@H]3CC[NH2+][C@@H]3C)n2)cc1OC ZINC000822909919 660357700 /nfs/dbraw/zinc/35/77/00/660357700.db2.gz GBUFKBFUPGCAPX-MWLCHTKSSA-N 1 0 382.258 2.906 20 0 GFADRO COc1cc(Br)c(Cc2noc(CC3(C[NH3+])CC3)n2)cc1OC ZINC000822910810 660357883 /nfs/dbraw/zinc/35/78/83/660357883.db2.gz QUAJUWCCFZTREM-UHFFFAOYSA-N 1 0 382.258 2.722 20 0 GFADRO C[C@@H]([NH3+])[C@@H](C)c1nc(Cc2nc3ccc(Br)cc3c(=O)[nH]2)no1 ZINC000822919391 660358079 /nfs/dbraw/zinc/35/80/79/660358079.db2.gz HAWWIGNAGKUQHV-HTQZYQBOSA-N 1 0 378.230 2.522 20 0 GFADRO COc1nc(-c2noc([C@@H]3C[C@H]4CCCC[C@H]4[NH2+]3)n2)ncc1Br ZINC000823015961 660359861 /nfs/dbraw/zinc/35/98/61/660359861.db2.gz NDDUOKHJTSZMHA-IEBDPFPHSA-N 1 0 380.246 2.891 20 0 GFADRO Brc1cccc(-c2nc(-c3noc([C@H]4C[C@]45CC[NH2+]C5)n3)n[nH]2)c1 ZINC000823184941 660364161 /nfs/dbraw/zinc/36/41/61/660364161.db2.gz KSHJIFUSACXZLL-BZNIZROVSA-N 1 0 387.241 2.751 20 0 GFADRO CC(C)(c1noc(C2(S(C)(=O)=O)CC[NH2+]CC2)n1)c1ccc(Cl)cc1 ZINC000823216176 660365326 /nfs/dbraw/zinc/36/53/26/660365326.db2.gz RIVYTIJEASFFML-UHFFFAOYSA-N 1 0 383.901 2.672 20 0 GFADRO Cc1cc(Br)nc(NC(=O)N2CCO[C@H](CCC[NH+](C)C)C2)c1 ZINC000823718921 660378714 /nfs/dbraw/zinc/37/87/14/660378714.db2.gz NJSFGWWIMYDSNR-CYBMUJFWSA-N 1 0 385.306 2.727 20 0 GFADRO CCC1(C(=O)Nc2cc(Br)ccc2N(C)CC[NH+](C)C)COC1 ZINC000824097599 660385405 /nfs/dbraw/zinc/38/54/05/660385405.db2.gz ZQZFQWFPNQECRI-UHFFFAOYSA-N 1 0 384.318 2.812 20 0 GFADRO C[NH+](C)Cc1cccc(CNC(=O)c2c(Br)nc3n2CCC3)c1 ZINC000824208572 660387292 /nfs/dbraw/zinc/38/72/92/660387292.db2.gz DPSXIACPZXPLHN-UHFFFAOYSA-N 1 0 377.286 2.583 20 0 GFADRO C[C@H]([NH2+]CCS(=O)(=O)C1CCOCC1)c1ccc(Br)cc1 ZINC000824904406 660404702 /nfs/dbraw/zinc/40/47/02/660404702.db2.gz ZQFWGWQZUPLSCH-LBPRGKRZSA-N 1 0 376.316 2.694 20 0 GFADRO Cn1nc(C(F)(F)F)c(C[NH2+][C@@H]2CCO[C@H](c3ccnn3C)C2)c1Cl ZINC000825046276 660408343 /nfs/dbraw/zinc/40/83/43/660408343.db2.gz ROZLRXCTVJEJBA-SKDRFNHKSA-N 1 0 377.798 2.836 20 0 GFADRO CN(C(=O)COC1CC[NH+](C)CC1)[C@H](CO)c1cccc(Cl)c1Cl ZINC000825230884 660416737 /nfs/dbraw/zinc/41/67/37/660416737.db2.gz PRRDDNWCYGUWSW-OAHLLOKOSA-N 1 0 375.296 2.596 20 0 GFADRO Cc1nn(C)c2ncc(C[NH2+]C[C@@H](O)c3ccccc3Br)cc12 ZINC000825338389 660421547 /nfs/dbraw/zinc/42/15/47/660421547.db2.gz PULKEIRNTKSHKE-MRXNPFEDSA-N 1 0 375.270 2.862 20 0 GFADRO Cn1nc(C(=O)NC[C@H]2CCCC[N@@H+]2Cc2ccccc2)cc1Br ZINC000825466494 660428853 /nfs/dbraw/zinc/42/88/53/660428853.db2.gz FEUGVTNINUQBKJ-OAHLLOKOSA-N 1 0 391.313 2.967 20 0 GFADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)Nc1ccc(F)c(Br)c1F ZINC000825667105 660437214 /nfs/dbraw/zinc/43/72/14/660437214.db2.gz TXCWOTKVZFZDCE-UWVGGRQHSA-N 1 0 390.228 2.712 20 0 GFADRO CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)C[C@H]([NH3+])C1CC1 ZINC000825761042 660440871 /nfs/dbraw/zinc/44/08/71/660440871.db2.gz HHCPXMMBUDDSKV-ZDUSSCGKSA-N 1 0 377.794 2.883 20 0 GFADRO C[N@@H+]1CCCC12CCN(Cc1ccc(-c3nn[nH]n3)cc1Br)CC2 ZINC000826034472 660448127 /nfs/dbraw/zinc/44/81/27/660448127.db2.gz RSSCINBPSRZRRI-UHFFFAOYSA-N 1 0 391.317 2.689 20 0 GFADRO CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)C[C@@]2(C)CC2(Cl)Cl)CC1 ZINC000826733784 660462716 /nfs/dbraw/zinc/46/27/16/660462716.db2.gz KCYGWSWECAKSHJ-KRWDZBQOSA-N 1 0 392.371 2.703 20 0 GFADRO C[C@]1(C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)CC1(Br)Br ZINC000826809979 660465422 /nfs/dbraw/zinc/46/54/22/660465422.db2.gz NSZQVPNQEFFJHL-WCQYABFASA-N 1 0 394.151 2.969 20 0 GFADRO CCO[C@@H]1C[C@H]([NH2+]CCS(=O)(=O)CC(F)(F)F)[C@H]1Sc1ccccc1 ZINC000827044858 660476977 /nfs/dbraw/zinc/47/69/77/660476977.db2.gz POARXSOGYAREDL-RRFJBIMHSA-N 1 0 397.484 2.891 20 0 GFADRO C[N@@H+]1CC[C@H]2CN(C(=O)c3cnnn3-c3c(Cl)cccc3Cl)CC[C@@H]21 ZINC000827264938 660486894 /nfs/dbraw/zinc/48/68/94/660486894.db2.gz FAENJKYIYOSHDS-FZMZJTMJSA-N 1 0 380.279 2.740 20 0 GFADRO C[N@@H+]1CC[C@H]2CN(C(=O)c3cnnn3-c3c(Cl)cccc3Cl)CC[C@H]21 ZINC000827264942 660486907 /nfs/dbraw/zinc/48/69/07/660486907.db2.gz FAENJKYIYOSHDS-SMDDNHRTSA-N 1 0 380.279 2.740 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3cnn(-c4ccccc4)c3Br)CC[C@H]21 ZINC000827287497 660487920 /nfs/dbraw/zinc/48/79/20/660487920.db2.gz KXTUNXSTZATKLF-CZUORRHYSA-N 1 0 389.297 2.801 20 0 GFADRO CN1CC[NH+](C2CCN(C(=O)c3sc4ncccc4c3Cl)CC2)CC1 ZINC000827430800 660495236 /nfs/dbraw/zinc/49/52/36/660495236.db2.gz VCUWGHHJTLHOJI-UHFFFAOYSA-N 1 0 378.929 2.802 20 0 GFADRO Cn1c(C(=O)N2C[C@@]3(C)C[NH+](C)C[C@]3(C)C2)cc2cc(Br)cnc21 ZINC000827598242 660504062 /nfs/dbraw/zinc/50/40/62/660504062.db2.gz NNQMOCTYYGAKME-QZTJIDSGSA-N 1 0 391.313 2.750 20 0 GFADRO CN1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnn(Cc2ccccc2)c1Br ZINC000827977823 660525164 /nfs/dbraw/zinc/52/51/64/660525164.db2.gz YNOUQQYAFMAKOS-GASCZTMLSA-N 1 0 389.297 2.613 20 0 GFADRO C[C@]1(C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)CC1(Br)Br ZINC000828447944 660548963 /nfs/dbraw/zinc/54/89/63/660548963.db2.gz BDZPNFJWHJVPOV-DGCLKSJQSA-N 1 0 394.151 2.827 20 0 GFADRO CCc1ccc(Br)cc1C(=O)N1CCC([NH+]2CCN(C)CC2)CC1 ZINC000828517798 660553891 /nfs/dbraw/zinc/55/38/91/660553891.db2.gz PPSJHFHUMBXZEW-UHFFFAOYSA-N 1 0 394.357 2.864 20 0 GFADRO C[C@@H]1C[C@H](N(C)C(=O)[C@@]2(C)CC2(Br)Br)CC[N@@H+]1C ZINC000828594906 660558897 /nfs/dbraw/zinc/55/88/97/660558897.db2.gz DLONIMREEIDBSJ-CKYFFXLPSA-N 1 0 382.140 2.824 20 0 GFADRO C[NH+]1CCC(OCC(=O)NCC2(c3ccc(Br)cc3)CC2)CC1 ZINC000828814201 660571733 /nfs/dbraw/zinc/57/17/33/660571733.db2.gz LBPJIGAJVUAYLT-UHFFFAOYSA-N 1 0 381.314 2.708 20 0 GFADRO C[C@@H]1CCC[N@@H+]1CCNC(=O)c1ccc(I)cc1F ZINC000828839652 660572655 /nfs/dbraw/zinc/57/26/55/660572655.db2.gz GAJFKFRCJFXUGZ-SNVBAGLBSA-N 1 0 376.213 2.644 20 0 GFADRO Cc1cc(Br)ccc1CC(=O)N(C)CC[NH+]1CC2(C1)CCOCC2 ZINC000829247039 660586558 /nfs/dbraw/zinc/58/65/58/660586558.db2.gz DXZOXRRXKVTWPV-UHFFFAOYSA-N 1 0 395.341 2.871 20 0 GFADRO CC1([NH+]2CCC2)CCN(C(=O)c2cnn3cccc(Br)c23)CC1 ZINC000829455279 660593088 /nfs/dbraw/zinc/59/30/88/660593088.db2.gz OIAYNTPTKLGBDN-UHFFFAOYSA-N 1 0 377.286 2.797 20 0 GFADRO CC[NH+]1CCN(c2ccc(NC(=O)CSc3nncs3)cc2F)CC1 ZINC000829563038 660600876 /nfs/dbraw/zinc/60/08/76/660600876.db2.gz KAHLGYNQTAYXHB-UHFFFAOYSA-N 1 0 381.502 2.550 20 0 GFADRO C[NH2+]CCOCCN(C)C(=O)Nc1ccn(-c2ccc(Cl)cc2Cl)n1 ZINC000625874751 652374053 /nfs/dbraw/zinc/37/40/53/652374053.db2.gz RNUPSHOBDLQFOV-UHFFFAOYSA-N 1 0 386.283 2.879 20 0 GFADRO O=C1OCCN1C[C@H]1CC[N@@H+](CCOc2cc(F)cc(Br)c2)C1 ZINC000830124766 660636852 /nfs/dbraw/zinc/63/68/52/660636852.db2.gz OSTQMFLITFLPNR-LBPRGKRZSA-N 1 0 387.249 2.741 20 0 GFADRO C[C@@H]1[C@@H](NC(=O)c2cnn(Cc3ccccc3)c2Br)CC[N@@H+]1C ZINC000830110967 660635785 /nfs/dbraw/zinc/63/57/85/660635785.db2.gz KMSRWUAAMBRIGY-DOMZBBRYSA-N 1 0 377.286 2.516 20 0 GFADRO COc1ccc([C@@H](C[NH3+])Cn2nc(Br)nc2Br)cc1 ZINC000830351087 660649850 /nfs/dbraw/zinc/64/98/50/660649850.db2.gz NPPUKTOMCFGCKW-VIFPVBQESA-N 1 0 390.079 2.554 20 0 GFADRO C[N@H+](CCOc1ccc(Cl)c(F)c1)C[C@H](O)CNC(=O)OC(C)(C)C ZINC000830461830 660658268 /nfs/dbraw/zinc/65/82/68/660658268.db2.gz HXZIGIIYNNNHFI-GFCCVEGCSA-N 1 0 376.856 2.675 20 0 GFADRO C[C@@H]1C[C@H](N(C)S(=O)(=O)c2c[nH]nc2Cl)CC[N@@H+]1Cc1ccccc1 ZINC000830589868 660666024 /nfs/dbraw/zinc/66/60/24/660666024.db2.gz SBBBXBXVYDWZOT-UKRRQHHQSA-N 1 0 382.917 2.737 20 0 GFADRO CC[C@H](C[NH+]1CCCC1)NS(=O)(=O)c1cnc(Cl)c(Br)c1 ZINC000830808959 660681154 /nfs/dbraw/zinc/68/11/54/660681154.db2.gz SSFRKUXYQJHGOS-SNVBAGLBSA-N 1 0 396.738 2.650 20 0 GFADRO [NH3+][C@@H](CC(=O)N[C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1)C1CC1 ZINC000831236080 660705003 /nfs/dbraw/zinc/70/50/03/660705003.db2.gz SQEAEDRATOIDDC-AAEUAGOBSA-N 1 0 376.810 2.576 20 0 GFADRO [NH3+]CCCCCCNC(=O)N(CCO)Cc1ccc(Br)s1 ZINC000831280251 660707501 /nfs/dbraw/zinc/70/75/01/660707501.db2.gz DBTOKNJFZWIETK-UHFFFAOYSA-N 1 0 378.336 2.534 20 0 GFADRO Cc1cc([C@@H]([NH3+])CC(=O)NCc2cnn(CC(F)(F)F)c2)cc(Cl)n1 ZINC000831369112 660708930 /nfs/dbraw/zinc/70/89/30/660708930.db2.gz KVHJDJLSGWYWIA-LBPRGKRZSA-N 1 0 375.782 2.509 20 0 GFADRO Cc1cc([C@H]([NH3+])CC(=O)NCc2cnn(CC(F)(F)F)c2)cc(Cl)n1 ZINC000831369104 660708972 /nfs/dbraw/zinc/70/89/72/660708972.db2.gz KVHJDJLSGWYWIA-GFCCVEGCSA-N 1 0 375.782 2.509 20 0 GFADRO COCC[N@H+]1[C@H](C)CN(C(=O)Nc2cc(Br)ncc2C)C[C@@H]1C ZINC000831695360 660720188 /nfs/dbraw/zinc/72/01/88/660720188.db2.gz TZYIZHVRQVWRRU-BETUJISGSA-N 1 0 385.306 2.725 20 0 GFADRO CCOC(=O)[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000831675061 660718607 /nfs/dbraw/zinc/71/86/07/660718607.db2.gz VGOLYULNNCTBFI-CABCVRRESA-N 1 0 375.437 2.894 20 0 GFADRO CCO[C@H](CNC(=O)c1sc(C)c(Br)c1OC)C[NH+](C)C ZINC000831743132 660724528 /nfs/dbraw/zinc/72/45/28/660724528.db2.gz BGSPWUYNNBSQDY-SNVBAGLBSA-N 1 0 379.320 2.524 20 0 GFADRO CCO[C@@H](CNC(=O)CCCc1ccc(Br)s1)C[NH+](C)C ZINC000831770773 660725924 /nfs/dbraw/zinc/72/59/24/660725924.db2.gz DJPOOAYYAZDZBO-LBPRGKRZSA-N 1 0 377.348 2.916 20 0 GFADRO C[NH+](C)Cc1ccc(C(=O)NCC2(n3cc(Br)cn3)CC2)cc1 ZINC000832241405 660767498 /nfs/dbraw/zinc/76/74/98/660767498.db2.gz VJSVMHFVXMTSSL-UHFFFAOYSA-N 1 0 377.286 2.626 20 0 GFADRO Cn1ncc(I)c1C[NH+]1CCC2(CCCCO2)CC1 ZINC000895656805 663522077 /nfs/dbraw/zinc/52/20/77/663522077.db2.gz VWJAHOONZSZDOH-UHFFFAOYSA-N 1 0 375.254 2.560 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)c1cnn(-c2ccccc2)c1Br ZINC000832496596 660783065 /nfs/dbraw/zinc/78/30/65/660783065.db2.gz VRLLFROHLXQBPO-HUUCEWRRSA-N 1 0 377.286 2.847 20 0 GFADRO C[NH+](C)[C@H]1CCCN(C(=O)c2cccc(S(=O)(=O)C(F)(F)F)c2)CC1 ZINC000834435955 660819807 /nfs/dbraw/zinc/81/98/07/660819807.db2.gz NDCFLISQJMGJQM-ZDUSSCGKSA-N 1 0 378.416 2.536 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cccnc2SC(F)(F)F)CC1 ZINC000834849176 660835001 /nfs/dbraw/zinc/83/50/01/660835001.db2.gz RZIQZHCEHQFPGJ-OLZOCXBDSA-N 1 0 375.416 2.662 20 0 GFADRO COCCOC1(C[NH2+][C@H](C)c2nc(Br)cs2)CCOCC1 ZINC000834856310 660835350 /nfs/dbraw/zinc/83/53/50/660835350.db2.gz ONCGHNZDNZHKMJ-LLVKDONJSA-N 1 0 379.320 2.768 20 0 GFADRO C[C@@H]([NH2+]CCS(=O)(=O)C1CCOCC1)c1cccc(Br)c1 ZINC000834885924 660836833 /nfs/dbraw/zinc/83/68/33/660836833.db2.gz GPYGLILVIDKIKA-GFCCVEGCSA-N 1 0 376.316 2.694 20 0 GFADRO O=S(=O)(CC[NH2+][C@@H]1CCc2cc(Br)ccc21)C1CCOCC1 ZINC000834886492 660837152 /nfs/dbraw/zinc/83/71/52/660837152.db2.gz MPZPOVIPLQPHKW-MRXNPFEDSA-N 1 0 388.327 2.620 20 0 GFADRO C[C@@H](CC[S@@](C)=O)[NH2+]Cc1nc2c(s1)CN(C(=O)OC(C)(C)C)CC2 ZINC000835043138 660839308 /nfs/dbraw/zinc/83/93/08/660839308.db2.gz NHGPXGHNLZGAFV-UOXLDJKESA-N 1 0 387.571 2.683 20 0 GFADRO C[NH+](C)CCc1ccc(NC(=O)C(=O)NCC[C@@]2(C)CC2(Cl)Cl)cc1 ZINC000835854385 660880402 /nfs/dbraw/zinc/88/04/02/660880402.db2.gz SGUOVFJRWLVHIJ-KRWDZBQOSA-N 1 0 386.323 2.819 20 0 GFADRO O=C(NC[C@H](O)c1ccccc1Br)NC1CC[NH+](CC2CC2)CC1 ZINC000836227687 660896215 /nfs/dbraw/zinc/89/62/15/660896215.db2.gz OSFKBCMNVAFLPO-KRWDZBQOSA-N 1 0 396.329 2.656 20 0 GFADRO CC[NH+]1CCC(CCNC(=O)NC[C@H](O)c2ccccc2Br)CC1 ZINC000836350607 660901035 /nfs/dbraw/zinc/90/10/35/660901035.db2.gz PTEKUDKLDFNCPK-KRWDZBQOSA-N 1 0 398.345 2.904 20 0 GFADRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)NC[C@@H](O)c2ccccc2Br)C1 ZINC000836359710 660901744 /nfs/dbraw/zinc/90/17/44/660901744.db2.gz YSAPGNKUYVLGAC-WMLDXEAASA-N 1 0 398.345 2.760 20 0 GFADRO O=C(NC[C@H](O)c1ccccc1Br)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000836428281 660905052 /nfs/dbraw/zinc/90/50/52/660905052.db2.gz JTJCKQSOHZFFOI-YOEHRIQHSA-N 1 0 396.329 2.799 20 0 GFADRO O=C(NC[C@@H](O)c1ccccc1Br)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000836428278 660905059 /nfs/dbraw/zinc/90/50/59/660905059.db2.gz JTJCKQSOHZFFOI-WMLDXEAASA-N 1 0 396.329 2.799 20 0 GFADRO Cc1c(Br)nccc1NC(=O)NCCCC[N@@H+]1CCC[C@H]1CO ZINC000836679355 660926732 /nfs/dbraw/zinc/92/67/32/660926732.db2.gz ZOWBDNAAASRMPG-ZDUSSCGKSA-N 1 0 385.306 2.511 20 0 GFADRO Cc1cc(Br)nc(NC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)c1 ZINC000836759429 660938906 /nfs/dbraw/zinc/93/89/06/660938906.db2.gz OLFCODDORJIKCT-CYBMUJFWSA-N 1 0 385.306 2.631 20 0 GFADRO Cc1cc(Br)nc(NC(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)c1 ZINC000836766196 660941214 /nfs/dbraw/zinc/94/12/14/660941214.db2.gz IPUOCAAOCQUQJY-CYBMUJFWSA-N 1 0 385.306 2.775 20 0 GFADRO C[N@H+](CC(=O)NCC(=O)Nc1ccccc1Br)C1CCCCC1 ZINC000007340386 654469114 /nfs/dbraw/zinc/46/91/14/654469114.db2.gz XMGNNNMCQMQHNU-UHFFFAOYSA-N 1 0 382.302 2.768 20 0 GFADRO O=S(=O)(NCC1CC[NH+](Cc2ccncc2)CC1)c1ccccc1Cl ZINC000023000141 654535831 /nfs/dbraw/zinc/53/58/31/654535831.db2.gz YHWMJLUYMIVFAX-UHFFFAOYSA-N 1 0 379.913 2.926 20 0 GFADRO O=C(NCC1([NH+]2CCSCC2)CCCC1)c1cncc(Br)c1 ZINC000029371712 654576657 /nfs/dbraw/zinc/57/66/57/654576657.db2.gz HVZKBCGYZCWQKZ-UHFFFAOYSA-N 1 0 384.343 2.936 20 0 GFADRO C[C@H]1CCCC[N@@H+]1CCCNS(=O)(=O)c1ccc(Br)cc1 ZINC000037388890 654615019 /nfs/dbraw/zinc/61/50/19/654615019.db2.gz ZGMFOELGNDPXQY-ZDUSSCGKSA-N 1 0 375.332 2.992 20 0 GFADRO O=C(c1ccc(I)cc1)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037917259 654616108 /nfs/dbraw/zinc/61/61/08/654616108.db2.gz UQPOIRYZNZVGMR-ZFWWWQNUSA-N 1 0 384.261 2.895 20 0 GFADRO CC(C)(C[NH+]1CCCC1)NC(=O)/C=C/c1ccc(I)o1 ZINC000837173796 660975683 /nfs/dbraw/zinc/97/56/83/660975683.db2.gz QGNYXSCQXQCJDL-SOFGYWHQSA-N 1 0 388.249 2.888 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)NCC[NH+]1CCC(C)CC1 ZINC000041660852 654629557 /nfs/dbraw/zinc/62/95/57/654629557.db2.gz SWMJNBVLPAULRF-UHFFFAOYSA-N 1 0 396.329 2.853 20 0 GFADRO CC(C)[N@H+](C)CCCNC(=O)C(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000041716751 654630288 /nfs/dbraw/zinc/63/02/88/654630288.db2.gz NKAVSSWLNAMZDR-UHFFFAOYSA-N 1 0 377.819 2.726 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CNC(=S)NNC(=S)Nc1ccc(C(C)C)cc1 ZINC000043570862 654649910 /nfs/dbraw/zinc/64/99/10/654649910.db2.gz LFWUVLZAXSHBRZ-MRXNPFEDSA-N 1 0 379.599 2.960 20 0 GFADRO CC[NH+]1CCN([C@@H](C)CNC(=O)c2cc(Br)ccc2Cl)CC1 ZINC000046947366 654688238 /nfs/dbraw/zinc/68/82/38/654688238.db2.gz OIISJWDWNQFJTK-LBPRGKRZSA-N 1 0 388.737 2.858 20 0 GFADRO O=C(Cc1cc2c(cc1Br)OCCO2)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000046998629 654688645 /nfs/dbraw/zinc/68/86/45/654688645.db2.gz BQWCHTVXQNTTSA-HUUCEWRRSA-N 1 0 395.297 2.506 20 0 GFADRO CC[NH+](CC)CCCNC(=O)CSc1nncn1-c1cccc(Cl)c1 ZINC000047615083 654697845 /nfs/dbraw/zinc/69/78/45/654697845.db2.gz AWIIIZORWRHAIY-UHFFFAOYSA-N 1 0 381.933 2.861 20 0 GFADRO O=C(NCCCC[NH+]1CCOCC1)c1cc(Br)ccc1Cl ZINC000048285068 654704509 /nfs/dbraw/zinc/70/45/09/654704509.db2.gz VPWFRVSNHMMKMD-UHFFFAOYSA-N 1 0 375.694 2.945 20 0 GFADRO Cc1c(Br)cccc1NC(=O)C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000121989895 654727390 /nfs/dbraw/zinc/72/73/90/654727390.db2.gz PBEBAFKTKLNXDS-BBRMVZONSA-N 1 0 394.313 2.639 20 0 GFADRO CC[N@H+](CCNC(=O)c1c(F)cccc1I)C(C)C ZINC000122191655 654731052 /nfs/dbraw/zinc/73/10/52/654731052.db2.gz FJAXINGCQVBGKC-UHFFFAOYSA-N 1 0 378.229 2.890 20 0 GFADRO Brc1ccc2nc(CN3CCC(C[NH+]4CCOCC4)CC3)cn2c1 ZINC000051959998 654731053 /nfs/dbraw/zinc/73/10/53/654731053.db2.gz NJCGXKYUAQLUHN-UHFFFAOYSA-N 1 0 393.329 2.641 20 0 GFADRO CCCN(C1CC[NH2+]CC1)S(=O)(=O)c1cc(Br)sc1C ZINC000122286643 654732367 /nfs/dbraw/zinc/73/23/67/654732367.db2.gz LAFOEGNBKPIPAD-UHFFFAOYSA-N 1 0 381.361 2.972 20 0 GFADRO CS(=O)(=O)NCC[C@H]1CCCC[N@@H+]1Cc1ccc(OC(F)(F)F)cc1 ZINC000052133746 654733337 /nfs/dbraw/zinc/73/33/37/654733337.db2.gz LKGZMLVKVVFQRW-CQSZACIVSA-N 1 0 380.432 2.879 20 0 GFADRO C[N@@H+]1CCC[C@H]2CN(S(=O)(=O)c3ccccc3OC(F)(F)F)CC[C@@H]21 ZINC000122340622 654734712 /nfs/dbraw/zinc/73/47/12/654734712.db2.gz QRHGKIOLSITPNS-STQMWFEESA-N 1 0 378.416 2.690 20 0 GFADRO O=C(C[NH2+]C1(c2ccc(Br)cc2)CCOCC1)Nc1ccon1 ZINC000052833936 654740474 /nfs/dbraw/zinc/74/04/74/654740474.db2.gz ZVWOTQVQGIQDQY-UHFFFAOYSA-N 1 0 380.242 2.671 20 0 GFADRO CC(=O)NCC1CC[NH+](CC(=O)NCCc2cccc(Cl)c2Cl)CC1 ZINC000052849592 654740713 /nfs/dbraw/zinc/74/07/13/654740713.db2.gz RNWREHPQGATRJS-UHFFFAOYSA-N 1 0 386.323 2.500 20 0 GFADRO Cn1cc(S(=O)(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)nc1Cl ZINC000123544836 654759141 /nfs/dbraw/zinc/75/91/41/654759141.db2.gz UBVIQXDZGLUUHM-UHFFFAOYSA-N 1 0 382.917 2.538 20 0 GFADRO [NH3+]C[C@@H](NS(=O)(=O)c1cc(F)ccc1Br)C1CCCCC1 ZINC000124248961 654772717 /nfs/dbraw/zinc/77/27/17/654772717.db2.gz UNCWHJMOOPZTNN-CYBMUJFWSA-N 1 0 379.295 2.774 20 0 GFADRO C[C@H](CNC(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1)C[NH+]1CCCC1 ZINC000124414954 654776000 /nfs/dbraw/zinc/77/60/00/654776000.db2.gz IDMZRLYPSAPFRO-GFCCVEGCSA-N 1 0 375.441 2.536 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(OC)c(I)c1 ZINC000124501476 654776979 /nfs/dbraw/zinc/77/69/79/654776979.db2.gz SAUQUYUEUIOWHY-LBPRGKRZSA-N 1 0 388.249 2.514 20 0 GFADRO C[NH+](C)CCC1CCN(C(=O)C(=O)Nc2cccc(Br)c2)CC1 ZINC000124513646 654777039 /nfs/dbraw/zinc/77/70/39/654777039.db2.gz LFDPZLRMJFMVCR-UHFFFAOYSA-N 1 0 382.302 2.578 20 0 GFADRO CC[NH+]1CCC(NC(=O)c2ccc(OC)c(I)c2)CC1 ZINC000124515097 654777257 /nfs/dbraw/zinc/77/72/57/654777257.db2.gz NNEOEYMDIMHMBY-UHFFFAOYSA-N 1 0 388.249 2.514 20 0 GFADRO CC(C)(C)[N@@H+]1CCCN(C(=O)C(=O)Nc2cccc(Br)c2)CC1 ZINC000057700977 654808525 /nfs/dbraw/zinc/80/85/25/654808525.db2.gz MCYPVBXGOGGTCD-UHFFFAOYSA-N 1 0 382.302 2.720 20 0 GFADRO O=C(NCc1ccc(O)c(Br)c1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000126259479 654811658 /nfs/dbraw/zinc/81/16/58/654811658.db2.gz YZDHHOWQNXTGBE-AWEZNQCLSA-N 1 0 382.302 2.782 20 0 GFADRO O=C(Nc1cncc(Br)c1)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000126802803 654821137 /nfs/dbraw/zinc/82/11/37/654821137.db2.gz CVIPGKIXOMKFQQ-CVEARBPZSA-N 1 0 397.317 2.734 20 0 GFADRO O=C(c1ccc(I)cc1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000127363906 654827645 /nfs/dbraw/zinc/82/76/45/654827645.db2.gz UDVCSPUUFANNIW-CYBMUJFWSA-N 1 0 384.261 2.849 20 0 GFADRO C[C@@H](CCS(C)(=O)=O)[NH2+][C@@H](C)CC(=O)Nc1ccc(Br)cc1 ZINC000127397219 654828658 /nfs/dbraw/zinc/82/86/58/654828658.db2.gz YUANZIKSNOVUCX-RYUDHWBXSA-N 1 0 391.331 2.579 20 0 GFADRO C[C@H](CCS(C)(=O)=O)[NH2+][C@@H](C)c1ccc(I)cc1 ZINC000127402766 654828888 /nfs/dbraw/zinc/82/88/88/654828888.db2.gz RQQSHMCQYLBTNO-MNOVXSKESA-N 1 0 381.279 2.765 20 0 GFADRO Cc1ccc(Br)c(S(=O)(=O)N(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000127810483 654834627 /nfs/dbraw/zinc/83/46/27/654834627.db2.gz VZSRTDGKGHIMSX-JSGCOSHPSA-N 1 0 375.332 2.718 20 0 GFADRO CN(Cc1ccccc1Br)C(=O)CN1CCC[N@@H+](C2CC2)CC1 ZINC000061041547 654835806 /nfs/dbraw/zinc/83/58/06/654835806.db2.gz NEPVOYHRNJCWNY-UHFFFAOYSA-N 1 0 380.330 2.578 20 0 GFADRO CC(C)(C)[NH2+]CCNC(=O)C(=O)Nc1ccc(Cl)cc1Br ZINC000128042970 654840222 /nfs/dbraw/zinc/84/02/22/654840222.db2.gz ORPLAGMJQOJGIJ-UHFFFAOYSA-N 1 0 376.682 2.545 20 0 GFADRO C[NH+](C)CCn1cc(NC(=O)/C=C/c2cc(Br)ccc2F)cn1 ZINC000061647274 654841460 /nfs/dbraw/zinc/84/14/60/654841460.db2.gz ZZVONHZHCCEYOZ-ZZXKWVIFSA-N 1 0 381.249 2.998 20 0 GFADRO Cc1cccc(N2CCC([NH2+][C@H](C)Cn3cc(Br)cn3)CC2)n1 ZINC000128155276 654841955 /nfs/dbraw/zinc/84/19/55/654841955.db2.gz OVHPTTYOQJWSSF-CQSZACIVSA-N 1 0 378.318 2.996 20 0 GFADRO Cc1c(C(=O)N[C@@H]2CCCC[C@H]2[NH3+])cnn1-c1ccc(Br)cc1 ZINC000128459219 654847478 /nfs/dbraw/zinc/84/74/78/654847478.db2.gz QAPLIPSVHXIIPN-HZPDHXFCSA-N 1 0 377.286 2.943 20 0 GFADRO CC(C)[C@@H]([NH3+])CCN(C)CC(=O)Nc1cccc(I)c1 ZINC000128468691 654847705 /nfs/dbraw/zinc/84/77/05/654847705.db2.gz BPXWCKNQOMSKQX-AWEZNQCLSA-N 1 0 389.281 2.535 20 0 GFADRO CC[NH+](CC)C[C@H](C)NC(=O)N(C)C[C@@H](O)c1ccccc1Br ZINC000837907312 661019621 /nfs/dbraw/zinc/01/96/21/661019621.db2.gz MRDJRXVVZOOESV-XJKSGUPXSA-N 1 0 386.334 2.854 20 0 GFADRO O=S(=O)(c1ccc(Br)s1)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000063199579 654850523 /nfs/dbraw/zinc/85/05/23/654850523.db2.gz HNIUBATZZBRGRF-LLVKDONJSA-N 1 0 379.345 2.663 20 0 GFADRO C[C@H]1CCC[N@H+](CC(=O)NCC(=O)Nc2ccccc2Br)CC1 ZINC000063308742 654851690 /nfs/dbraw/zinc/85/16/90/654851690.db2.gz RWLOTFDZHYXFBP-ZDUSSCGKSA-N 1 0 382.302 2.626 20 0 GFADRO O[C@@H](C[NH2+]Cc1csc(Br)c1)COc1ccc2c(c1)OCO2 ZINC000063523635 654853873 /nfs/dbraw/zinc/85/38/73/654853873.db2.gz RAGJETGXJRKYJD-NSHDSACASA-N 1 0 386.267 2.769 20 0 GFADRO COc1cc(C[NH2+]Cc2ccc(S(=O)(=O)N(C)C)cc2)ccc1SC ZINC000063916084 654859714 /nfs/dbraw/zinc/85/97/14/654859714.db2.gz ZJRMALDNEADYBJ-UHFFFAOYSA-N 1 0 380.535 2.957 20 0 GFADRO OC[C@@H]1CCCC[N@@H+]1CCCOc1cccc(I)c1 ZINC000064141120 654863140 /nfs/dbraw/zinc/86/31/40/654863140.db2.gz GWJBECBGNPDTKG-AWEZNQCLSA-N 1 0 375.250 2.907 20 0 GFADRO O=C(CC[N@@H+]1CC[C@@H](CN2CCOCC2)C1)Nc1cc(Cl)ccc1Cl ZINC000129539143 654866128 /nfs/dbraw/zinc/86/61/28/654866128.db2.gz FITWEPLPSLKPSL-CQSZACIVSA-N 1 0 386.323 2.976 20 0 GFADRO Cc1cc(Br)c(S(=O)(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)s1 ZINC000266249475 654866332 /nfs/dbraw/zinc/86/63/32/654866332.db2.gz XLITWHBSDLTCNH-GXSJLCMTSA-N 1 0 381.361 2.922 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)N1CCCN(c2nccs2)CC1)c1cccs1 ZINC000064430067 654869050 /nfs/dbraw/zinc/86/90/50/654869050.db2.gz IHUKKLHDCCSSEX-AWEZNQCLSA-N 1 0 379.555 2.729 20 0 GFADRO Cc1sc(=O)n(CC(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)c1C ZINC000064521042 654871053 /nfs/dbraw/zinc/87/10/53/654871053.db2.gz CRHHCVPRKZLPBG-OAHLLOKOSA-N 1 0 379.551 2.617 20 0 GFADRO CC[N@H+](C)C[C@H]1CCN(C(=O)/C=C/c2ccc(I)o2)C1 ZINC000266383965 654876135 /nfs/dbraw/zinc/87/61/35/654876135.db2.gz IQUHOGCQQKVYSO-HOSRBBHYSA-N 1 0 388.249 2.698 20 0 GFADRO Cc1n[nH]c(C(=O)NC[C@@H](C)[N@@H+]2CCc3ccccc3C2)c1Br ZINC000064854321 654876705 /nfs/dbraw/zinc/87/67/05/654876705.db2.gz QTZVNVIDVSMFPN-LLVKDONJSA-N 1 0 377.286 2.657 20 0 GFADRO COCC[N@H+]1[C@H](C)CN(CCC(=O)Nc2ccccc2Br)C[C@@H]1C ZINC000130155252 654881265 /nfs/dbraw/zinc/88/12/65/654881265.db2.gz ORVUHZISVJNCNF-GASCZTMLSA-N 1 0 398.345 2.819 20 0 GFADRO CCOc1ccc(S(=O)(=O)N2CCC[C@H]([NH+](C)C)C2)cc1Br ZINC000130162109 654881826 /nfs/dbraw/zinc/88/18/26/654881826.db2.gz BQZPKBIAQVFMHG-LBPRGKRZSA-N 1 0 391.331 2.563 20 0 GFADRO CN(C)CC[NH+]1CCC(CNC(=S)NCCSc2ccccc2)CC1 ZINC000066010362 654892852 /nfs/dbraw/zinc/89/28/52/654892852.db2.gz DKEVKUKUZMSMMN-UHFFFAOYSA-N 1 0 380.627 2.516 20 0 GFADRO O=C(CCc1ccc(Br)cc1)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000267155029 654914088 /nfs/dbraw/zinc/91/40/88/654914088.db2.gz ONKUVRLGZOKMDM-UHFFFAOYSA-N 1 0 394.357 2.622 20 0 GFADRO C[C@@H](C(=O)NCc1nc2cc(Br)cnc2[nH]1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000267158965 654914180 /nfs/dbraw/zinc/91/41/80/654914180.db2.gz KAKFHQUVLCUHQK-AXFHLTTASA-N 1 0 380.290 2.598 20 0 GFADRO Cn1nc(Br)c2c1ncnc2NC1CC[NH+](C2CCCC2)CC1 ZINC000267200781 654917094 /nfs/dbraw/zinc/91/70/94/654917094.db2.gz OLELJBJKVBBTOD-UHFFFAOYSA-N 1 0 379.306 2.945 20 0 GFADRO [NH3+]C1CCC(NC(=O)c2cc(I)ccc2Cl)CC1 ZINC000131779791 654918200 /nfs/dbraw/zinc/91/82/00/654918200.db2.gz AOSDHWGANIAEHT-UHFFFAOYSA-N 1 0 378.641 2.944 20 0 GFADRO CC[C@@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1ccc(NC(C)=O)c(Cl)c1 ZINC000267272982 654921205 /nfs/dbraw/zinc/92/12/05/654921205.db2.gz YTRRVVGITKDOCQ-CQSZACIVSA-N 1 0 387.933 2.841 20 0 GFADRO CC[NH+]1CCN(CCNC(=O)CCCOc2cccc(Cl)c2Cl)CC1 ZINC000066942268 654923238 /nfs/dbraw/zinc/92/32/38/654923238.db2.gz ZNFIMJKOSHOXFN-UHFFFAOYSA-N 1 0 388.339 2.906 20 0 GFADRO Cc1ccc(NC(=O)C(=O)N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)c(Br)c1 ZINC000067398110 654937650 /nfs/dbraw/zinc/93/76/50/654937650.db2.gz MZCDHKWMYCIWHH-UONOGXRCSA-N 1 0 396.329 2.933 20 0 GFADRO CC(=O)NC[C@H]1CCC[N@H+](C[C@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000067412204 654938553 /nfs/dbraw/zinc/93/85/53/654938553.db2.gz OSQIUXUINQKANR-HIFRSBDPSA-N 1 0 375.296 2.581 20 0 GFADRO CC[C@H](C)[N@H+](C)CCNC(=O)N(C)C[C@@H](O)c1ccccc1Br ZINC000838205757 661032689 /nfs/dbraw/zinc/03/26/89/661032689.db2.gz FEVBFMZLQHANFR-XJKSGUPXSA-N 1 0 386.334 2.854 20 0 GFADRO CC[C@@H](C)[N@H+](C)CCNC(=O)N(C)C[C@@H](O)c1ccccc1Br ZINC000838205756 661032725 /nfs/dbraw/zinc/03/27/25/661032725.db2.gz FEVBFMZLQHANFR-CZUORRHYSA-N 1 0 386.334 2.854 20 0 GFADRO C[NH+]1CCC(NC(=O)N2CCO[C@@H](c3ccc(Br)cc3)C2)CC1 ZINC000067589952 654941690 /nfs/dbraw/zinc/94/16/90/654941690.db2.gz CNLNTPCRBKHBME-MRXNPFEDSA-N 1 0 382.302 2.626 20 0 GFADRO C[C@@H](COCC(F)(F)F)NC(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000067720361 654943747 /nfs/dbraw/zinc/94/37/47/654943747.db2.gz VCKBBAWGHLKWQC-ZDUSSCGKSA-N 1 0 383.480 2.615 20 0 GFADRO C[N@@H+](Cc1cccc(Br)c1)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000267907685 654951483 /nfs/dbraw/zinc/95/14/83/654951483.db2.gz DWBKARUJNMHBCC-AWEZNQCLSA-N 1 0 375.332 2.553 20 0 GFADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)Nc1ccc(Br)cc1C ZINC000133239048 654957768 /nfs/dbraw/zinc/95/77/68/654957768.db2.gz IFLISXSXJVJMLY-CABCVRRESA-N 1 0 394.313 2.781 20 0 GFADRO CC[NH+](CC)[C@@H](CNC(=O)C(=O)Nc1sc(C)nc1C)c1ccsc1 ZINC000268115555 654959666 /nfs/dbraw/zinc/95/96/66/654959666.db2.gz HUPAUKLCDYOQHD-AWEZNQCLSA-N 1 0 380.539 2.959 20 0 GFADRO CC[NH+](CC)[C@H](C)CNC(=O)NCc1cc2c(c(Br)c1)OCO2 ZINC000068364937 654960805 /nfs/dbraw/zinc/96/08/05/654960805.db2.gz MDNGZKUZANYHTC-LLVKDONJSA-N 1 0 386.290 2.707 20 0 GFADRO C[NH2+][C@H]1CCCN(C(=O)c2cnn(-c3cccc(Br)c3)c2C)C1 ZINC000133375193 654962435 /nfs/dbraw/zinc/96/24/35/654962435.db2.gz ZHLFXGVSBSEEKL-AWEZNQCLSA-N 1 0 377.286 2.767 20 0 GFADRO CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)N[C@H](C)CC[NH+](C)C ZINC000068474801 654963616 /nfs/dbraw/zinc/96/36/16/654963616.db2.gz ZNFJTFARIFBJRS-CJNGLKHVSA-N 1 0 385.961 2.648 20 0 GFADRO CC[N@H+](CCCS(N)(=O)=O)[C@H]1CCSc2ccc(Br)cc21 ZINC000068826442 654968679 /nfs/dbraw/zinc/96/86/79/654968679.db2.gz DZPJABDPDMGLDB-ZDUSSCGKSA-N 1 0 393.372 2.987 20 0 GFADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2c(F)cccc2I)C1 ZINC000268449493 654972199 /nfs/dbraw/zinc/97/21/99/654972199.db2.gz VMFKMDNKEVLSFK-NSHDSACASA-N 1 0 390.240 2.844 20 0 GFADRO CCC[NH+]1CCC(NC(=O)N(C)C[C@H](O)c2ccccc2Br)CC1 ZINC000838493093 661047592 /nfs/dbraw/zinc/04/75/92/661047592.db2.gz URTHHMSGYMXOCK-KRWDZBQOSA-N 1 0 398.345 2.998 20 0 GFADRO CC(C)[NH+]1CCC(O)(CNC(=O)CCOc2cccc(Br)c2)CC1 ZINC000268507115 654975302 /nfs/dbraw/zinc/97/53/02/654975302.db2.gz WQGAQRHZPMIYPF-UHFFFAOYSA-N 1 0 399.329 2.570 20 0 GFADRO O=S(=O)(c1ccc2nc(Cl)cnc2c1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000268528928 654976710 /nfs/dbraw/zinc/97/67/10/654976710.db2.gz ICCHFWTZCFJQBR-CYBMUJFWSA-N 1 0 380.901 2.532 20 0 GFADRO C[NH2+][C@@H]1CCCN(C(=O)[C@H](CCOC)Cc2cccc(Br)c2)C1 ZINC000134034120 654981196 /nfs/dbraw/zinc/98/11/96/654981196.db2.gz ZTNMBHMZJDVEQN-NVXWUHKLSA-N 1 0 383.330 2.855 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000070726239 654994102 /nfs/dbraw/zinc/99/41/02/654994102.db2.gz YYKLQLVYXWDXTO-UHFFFAOYSA-N 1 0 382.302 2.685 20 0 GFADRO CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)CC1 ZINC000070750491 654994602 /nfs/dbraw/zinc/99/46/02/654994602.db2.gz KCBWTBCJSBFWCP-UHFFFAOYSA-N 1 0 377.794 2.898 20 0 GFADRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)NC[C@@]2(C)CC2(Cl)Cl)CC1 ZINC000838667535 661052602 /nfs/dbraw/zinc/05/26/02/661052602.db2.gz FQQHDMKZSSNCMR-HLLBOEOZSA-N 1 0 391.387 2.770 20 0 GFADRO Cc1ccc(-n2nc(Br)cc2C(=O)N2CC[C@H]([NH3+])[C@H](C)C2)cc1 ZINC000269207032 655001559 /nfs/dbraw/zinc/00/15/59/655001559.db2.gz MHZBALWVVQJSSG-OCCSQVGLSA-N 1 0 377.286 2.753 20 0 GFADRO C[C@H](NC(=O)COc1ccc(Br)cc1Cl)[C@@H]1CCC[NH2+]C1 ZINC000269204996 655001683 /nfs/dbraw/zinc/00/16/83/655001683.db2.gz NMQNQMUZTWNDAF-WDEREUQCSA-N 1 0 375.694 2.986 20 0 GFADRO C[NH+](C)[C@]1(CNC(=O)Cc2cccc(OCC(F)(F)F)c2)CCSC1 ZINC000269264968 655003606 /nfs/dbraw/zinc/00/36/06/655003606.db2.gz JKCWEHPOMGABAY-INIZCTEOSA-N 1 0 376.444 2.724 20 0 GFADRO CC[C@H](C)[C@H](NC(=O)C[N@H+](C)CCc1ccc(Br)cc1)C(=O)OC ZINC000078611013 655004963 /nfs/dbraw/zinc/00/49/63/655004963.db2.gz AFLBNBJVAAIBLQ-GUYCJALGSA-N 1 0 399.329 2.627 20 0 GFADRO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)NCC[C@]2(C)CC2(Cl)Cl)CC1 ZINC000838680255 661053530 /nfs/dbraw/zinc/05/35/30/661053530.db2.gz AZPRJSOXCXNWOI-NVXWUHKLSA-N 1 0 391.387 2.772 20 0 GFADRO O[C@H](COc1cccc(C(F)(F)F)c1)C[N@@H+]1CCS[C@H]2COCC[C@@H]21 ZINC000135533114 655019494 /nfs/dbraw/zinc/01/94/94/655019494.db2.gz IEBHOHAZUXXWJY-BPUTZDHNSA-N 1 0 377.428 2.651 20 0 GFADRO CN(C(=O)C[C@@H]1CSCCS1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000269748756 655019994 /nfs/dbraw/zinc/01/99/94/655019994.db2.gz PKOICJIPBZISMG-GOSISDBHSA-N 1 0 379.595 2.786 20 0 GFADRO COc1cc(C[N@H+](C)CC[C@@H](C)O)cc(I)c1OC ZINC000093481772 655020246 /nfs/dbraw/zinc/02/02/46/655020246.db2.gz XXZHQOKWCGJGNL-SNVBAGLBSA-N 1 0 379.238 2.511 20 0 GFADRO COc1cc(C[N@H+](C)C[C@@H]2CCOC2)cc(I)c1OC ZINC000093840269 655021315 /nfs/dbraw/zinc/02/13/15/655021315.db2.gz GZDILEMZEJZYMW-NSHDSACASA-N 1 0 391.249 2.777 20 0 GFADRO C[N@@H+]1CCC[C@@H](CCNC(=O)NC[C@H](O)c2cccc(Br)c2)C1 ZINC000838768125 661056489 /nfs/dbraw/zinc/05/64/89/661056489.db2.gz APGSMAKYYHCJQR-BBRMVZONSA-N 1 0 384.318 2.514 20 0 GFADRO COc1ccc(CC[NH2+]Cc2c(Cl)cccc2Cl)cc1S(N)(=O)=O ZINC000094013836 655025886 /nfs/dbraw/zinc/02/58/86/655025886.db2.gz YOEPQDYNVIGZGV-UHFFFAOYSA-N 1 0 389.304 2.982 20 0 GFADRO O=C(NCCCCC[NH+]1CCCCC1)c1cnn2cc(Br)cnc12 ZINC000094129855 655027709 /nfs/dbraw/zinc/02/77/09/655027709.db2.gz JBEIUJQUGISSSQ-UHFFFAOYSA-N 1 0 394.317 2.878 20 0 GFADRO CC[NH+]1CCN(C[C@H](C)CNS(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000096999626 655032996 /nfs/dbraw/zinc/03/29/96/655032996.db2.gz HFSZQYRRZMFZDQ-CYBMUJFWSA-N 1 0 394.368 2.545 20 0 GFADRO O=S(=O)(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1cc(F)cc(Cl)c1 ZINC000270156147 655035502 /nfs/dbraw/zinc/03/55/02/655035502.db2.gz ITNDRWGGKMOWFR-IAGOWNOFSA-N 1 0 390.908 2.525 20 0 GFADRO O=C(COc1ccc(Cl)cc1Cl)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000136852235 655036101 /nfs/dbraw/zinc/03/61/01/655036101.db2.gz LNFWGTNLEXCPHN-CYBMUJFWSA-N 1 0 387.307 2.989 20 0 GFADRO C[NH+](C)CCCOC1CCN(S(=O)(=O)c2cc(F)cc(Cl)c2)CC1 ZINC000270187327 655036658 /nfs/dbraw/zinc/03/66/58/655036658.db2.gz OEJZJQIRVKLUJA-UHFFFAOYSA-N 1 0 378.897 2.601 20 0 GFADRO C[NH+](C)CCn1cc(NC(=O)COc2cc(Cl)ccc2Cl)ccc1=O ZINC000270218198 655037737 /nfs/dbraw/zinc/03/77/37/655037737.db2.gz MHMQNVXSSQZWGR-UHFFFAOYSA-N 1 0 384.263 2.734 20 0 GFADRO CN(CC1([NH+](C)C)CCC1)S(=O)(=O)c1ccc(Br)cc1F ZINC000097935701 655038348 /nfs/dbraw/zinc/03/83/48/655038348.db2.gz WEPLXHXVRNLRAN-UHFFFAOYSA-N 1 0 379.295 2.693 20 0 GFADRO Cn1cc(NC(=O)N(CC[NH+](C)C)Cc2ccc(Br)cc2)cn1 ZINC000098024701 655038511 /nfs/dbraw/zinc/03/85/11/655038511.db2.gz XXIPQHKLFZINDZ-UHFFFAOYSA-N 1 0 380.290 2.778 20 0 GFADRO COc1ccc(Br)cc1[C@H]1CCC[N@@H+]1CCCN1C(=O)CNC1=O ZINC000101556873 655043830 /nfs/dbraw/zinc/04/38/30/655043830.db2.gz PTELJAQFBNLGLX-CQSZACIVSA-N 1 0 396.285 2.537 20 0 GFADRO COc1ccc(OC)c([C@H](O)C[NH2+]Cc2cccc(O)c2Br)c1 ZINC000838895679 661062616 /nfs/dbraw/zinc/06/26/16/661062616.db2.gz SXQXQHQETMQELT-OAHLLOKOSA-N 1 0 382.254 2.995 20 0 GFADRO CC1CCC([NH+]2CCN(Cn3cc(I)cn3)CC2)CC1 ZINC000151503091 655051865 /nfs/dbraw/zinc/05/18/65/655051865.db2.gz JTLWITVTXRPMBU-UHFFFAOYSA-N 1 0 388.297 2.642 20 0 GFADRO CCC[N@@H+]1CCC[C@@H]1C(=O)NCCCNC(=O)c1ccc(Br)cc1 ZINC000102366670 655053916 /nfs/dbraw/zinc/05/39/16/655053916.db2.gz HXYCXDIOUMBJHI-MRXNPFEDSA-N 1 0 396.329 2.560 20 0 GFADRO CCOC(=O)CC(C)(C)C[NH2+]CCNC(=O)c1cccc(Br)c1 ZINC000838953396 661064838 /nfs/dbraw/zinc/06/48/38/661064838.db2.gz YHILMWRHIIJAIT-UHFFFAOYSA-N 1 0 385.302 2.748 20 0 GFADRO CS[C@H]1CN(C(=O)CCC(=O)CCC(=O)c2cccs2)C[C@@H]1[NH+](C)C ZINC000271114615 655067095 /nfs/dbraw/zinc/06/70/95/655067095.db2.gz JOWNKVRLHBDIRH-YOEHRIQHSA-N 1 0 382.551 2.564 20 0 GFADRO C[C@](O)(CNC(=O)NCC1([NH+]2CCSCC2)CCCC1)c1ccsc1 ZINC000153717992 655069959 /nfs/dbraw/zinc/06/99/59/655069959.db2.gz HGYCYNJPCOALGY-KRWDZBQOSA-N 1 0 383.583 2.616 20 0 GFADRO CC[NH+](CC)CCCNC(=O)CN1C(=S)N=NC1c1ccc(Cl)cc1 ZINC000153958135 655072033 /nfs/dbraw/zinc/07/20/33/655072033.db2.gz XIWBQKOHBLSCSW-UHFFFAOYSA-N 1 0 381.933 2.735 20 0 GFADRO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)NCC[N@@H+](C)C(C)C ZINC000154642387 655077426 /nfs/dbraw/zinc/07/74/26/655077426.db2.gz NWCWYBIQTINWQE-UHFFFAOYSA-N 1 0 381.270 2.934 20 0 GFADRO NS(=O)(=O)C[C@@H]1CCC[N@@H+]([C@@H]2CCCc3ccc(Br)cc32)C1 ZINC000271385601 655078975 /nfs/dbraw/zinc/07/89/75/655078975.db2.gz KZPDUGJCGSBAOE-MLGOLLRUSA-N 1 0 387.343 2.827 20 0 GFADRO COc1cc[nH+]c(N2CCN(C(=O)c3sccc3Br)CC2)c1 ZINC000104519431 655081684 /nfs/dbraw/zinc/08/16/84/655081684.db2.gz APUTYVKQZJJDLA-UHFFFAOYSA-N 1 0 382.283 2.877 20 0 GFADRO Cn1cc(N2CC[C@H]([NH2+][C@H]3CCc4c3cc(Br)cc4F)C2=O)cn1 ZINC000271456853 655081893 /nfs/dbraw/zinc/08/18/93/655081893.db2.gz GWGIYQABYOOCOM-HOTGVXAUSA-N 1 0 393.260 2.704 20 0 GFADRO Cc1cccc(NCCNS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)n1 ZINC000155260573 655082859 /nfs/dbraw/zinc/08/28/59/655082859.db2.gz VHIBQFCRKIJIFQ-UHFFFAOYSA-N 1 0 384.845 2.650 20 0 GFADRO COCC[N@@H+]1CCCN(C(=O)C[C@H](O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000271846083 655096796 /nfs/dbraw/zinc/09/67/96/655096796.db2.gz VBSICFPHIMAZLI-INIZCTEOSA-N 1 0 375.296 2.598 20 0 GFADRO COC(=O)c1cc(NC(=O)NCC2=CC[N@H+](C)CC2)ccc1Br ZINC000272054263 655101559 /nfs/dbraw/zinc/10/15/59/655101559.db2.gz QVPRYYYFFQEHGU-UHFFFAOYSA-N 1 0 382.258 2.619 20 0 GFADRO COc1ccc(Br)cc1CNC(=O)N1CC[C@H]2CC[N@H+](C)C[C@H]21 ZINC000272322728 655109023 /nfs/dbraw/zinc/10/90/23/655109023.db2.gz IWJFMZGCRDNKGY-IUODEOHRSA-N 1 0 382.302 2.693 20 0 GFADRO O=C(NC1CC[NH+](C2CC2)CC1)c1cnn(-c2cccc(Br)c2)c1 ZINC000106734306 655110231 /nfs/dbraw/zinc/11/02/31/655110231.db2.gz CYCJGBDQVRKYIM-UHFFFAOYSA-N 1 0 389.297 2.991 20 0 GFADRO O=S(=O)(N[C@H]1CC[N@@H+](C2CCCC2)C1)c1ccc(OC(F)(F)F)cc1 ZINC000106891783 655113411 /nfs/dbraw/zinc/11/34/11/655113411.db2.gz YWCRDBMOAQGJFA-LBPRGKRZSA-N 1 0 378.416 2.880 20 0 GFADRO COc1cc(C(=O)N2CC[C@H]3CC[N@H+](C)C[C@@H]32)cc(OC)c1Br ZINC000272461105 655113717 /nfs/dbraw/zinc/11/37/17/655113717.db2.gz KICSVUBWTJZHLP-YPMHNXCESA-N 1 0 383.286 2.633 20 0 GFADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)c3cn(-c4ccc(Br)cc4)cn3)[C@@H]2C1 ZINC000272491193 655114686 /nfs/dbraw/zinc/11/46/86/655114686.db2.gz NBOJYAIUDDGQSQ-CXAGYDPISA-N 1 0 389.297 2.801 20 0 GFADRO C[C@@H](C1CC[NH+](C)CC1)N(C)S(=O)(=O)c1sccc1Br ZINC000272588019 655116971 /nfs/dbraw/zinc/11/69/71/655116971.db2.gz WABNEEBEXQXZID-JTQLQIEISA-N 1 0 381.361 2.861 20 0 GFADRO O=C(Nc1ccncc1Br)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000272692115 655119321 /nfs/dbraw/zinc/11/93/21/655119321.db2.gz QPZCVSIIQNYAFF-UHFFFAOYSA-N 1 0 397.317 2.953 20 0 GFADRO CC[N@H+](CCNS(C)(=O)=O)[C@H]1CCSc2ccc(Br)cc21 ZINC000107367891 655120308 /nfs/dbraw/zinc/12/03/08/655120308.db2.gz WLGYZRDPCAMVEQ-ZDUSSCGKSA-N 1 0 393.372 2.857 20 0 GFADRO CC1CC[NH+](CCNC(=O)c2csc(I)c2)CC1 ZINC000107555059 655122311 /nfs/dbraw/zinc/12/23/11/655122311.db2.gz BJTBTJSTDKWLHQ-UHFFFAOYSA-N 1 0 378.279 2.814 20 0 GFADRO CCC([NH3+])(CC)CNC(=O)c1cc(S(=O)(=O)NC(C)(C)C)ccc1Cl ZINC000160561523 655123015 /nfs/dbraw/zinc/12/30/15/655123015.db2.gz DFGWMKHGOGQWND-UHFFFAOYSA-N 1 0 389.949 2.664 20 0 GFADRO CC1CC[NH+](CCNC(=O)C[C@@H]2Sc3ccc(Cl)cc3NC2=O)CC1 ZINC000107619682 655123114 /nfs/dbraw/zinc/12/31/14/655123114.db2.gz CZFLIRFPPINHSE-INIZCTEOSA-N 1 0 381.929 2.991 20 0 GFADRO C[N@H+](CCCOc1cccc(Cl)c1)CCc1ccc(S(N)(=O)=O)cc1 ZINC000107910016 655126219 /nfs/dbraw/zinc/12/62/19/655126219.db2.gz KEBKJVVXYFTFFW-UHFFFAOYSA-N 1 0 382.913 2.931 20 0 GFADRO C[C@@H]([NH2+]CC(=O)Nc1nnc(C(C)(C)C)s1)c1ccc([S@@](C)=O)cc1 ZINC000272953402 655126494 /nfs/dbraw/zinc/12/64/94/655126494.db2.gz MSZVFDGRYCPEON-SSINHNECSA-N 1 0 380.539 2.862 20 0 GFADRO Cc1cc2cc(C(=O)NCC3(O)CC[NH+](C)CC3)oc2c(Br)c1 ZINC000273045722 655128581 /nfs/dbraw/zinc/12/85/81/655128581.db2.gz IQVYJBIPIKSEBX-UHFFFAOYSA-N 1 0 381.270 2.690 20 0 GFADRO CCCCN(C)S(=O)(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000161833137 655128620 /nfs/dbraw/zinc/12/86/20/655128620.db2.gz CMBWPYQUHPRDIB-MRXNPFEDSA-N 1 0 389.949 2.576 20 0 GFADRO CCOc1cc(Br)c(CC(=O)NC[C@@H]2CC[NH2+]C2)cc1OCC ZINC000273065403 655129146 /nfs/dbraw/zinc/12/91/46/655129146.db2.gz ULRSNAYSWPASBB-GFCCVEGCSA-N 1 0 385.302 2.515 20 0 GFADRO CN(Cc1ccccc1)C(=O)C[NH2+][C@H](CO)c1ccc(Br)cc1 ZINC000273134111 655131811 /nfs/dbraw/zinc/13/18/11/655131811.db2.gz SCKIMSRCCHUSLJ-QGZVFWFLSA-N 1 0 377.282 2.731 20 0 GFADRO CC[NH+](CC)[C@H](CNC(=O)c1cnn(C)c1Br)Cc1ccccc1 ZINC000273224511 655135829 /nfs/dbraw/zinc/13/58/29/655135829.db2.gz NNCGHANSFUVNNS-HNNXBMFYSA-N 1 0 393.329 2.866 20 0 GFADRO CC[NH+](CC)[C@@H](CNC(=O)c1cnn(C)c1Br)c1ccccc1 ZINC000273250884 655136674 /nfs/dbraw/zinc/13/66/74/655136674.db2.gz RNBDVCGDTFPPFN-HNNXBMFYSA-N 1 0 379.302 2.996 20 0 GFADRO COc1cc(Br)ccc1CCC[NH+]1CCC2(CNC(=O)C2)CC1 ZINC000273333500 655139447 /nfs/dbraw/zinc/13/94/47/655139447.db2.gz MLYOXYNETDKDTN-UHFFFAOYSA-N 1 0 381.314 2.992 20 0 GFADRO C[N@@H+]1CCC[C@H]1C(=O)NCC1(c2ccc(Br)cc2)CCOCC1 ZINC000109097040 655141983 /nfs/dbraw/zinc/14/19/83/655141983.db2.gz KJMXELNMKUBALA-INIZCTEOSA-N 1 0 381.314 2.708 20 0 GFADRO COc1ccc([C@@H](CNc2ncc(Br)cn2)[NH+](C)C)cc1OC ZINC000109128871 655142255 /nfs/dbraw/zinc/14/22/55/655142255.db2.gz MUWOJMLPQNOOBC-CYBMUJFWSA-N 1 0 381.274 2.971 20 0 GFADRO CSc1ncc(Cl)c(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)n1 ZINC000171911964 655155237 /nfs/dbraw/zinc/15/52/37/655155237.db2.gz MMEFVAAIFOTYQI-UHFFFAOYSA-N 1 0 377.901 2.856 20 0 GFADRO COc1ccc(Br)c(NC(=O)N2C[C@H](SC)[C@@H]([NH+](C)C)C2)c1 ZINC000273734359 655156353 /nfs/dbraw/zinc/15/63/53/655156353.db2.gz RCAPFWGKPBHIKG-KBPBESRZSA-N 1 0 388.331 2.967 20 0 GFADRO COc1ccc(Br)cc1S(=O)(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000173270621 655166245 /nfs/dbraw/zinc/16/62/45/655166245.db2.gz MCSBZYPEEHWKGG-AAEUAGOBSA-N 1 0 391.331 2.561 20 0 GFADRO CNS(=O)(=O)CCC[N@H+](C)Cc1cc(C)c(OCC(F)(F)F)c(C)c1 ZINC000111204929 655166407 /nfs/dbraw/zinc/16/64/07/655166407.db2.gz LYQYTHJBNQLQKW-UHFFFAOYSA-N 1 0 382.448 2.616 20 0 GFADRO C[NH+]1CCN([C@@H]2CCCCN(C(=O)c3sccc3Br)C2)CC1 ZINC000173274738 655166586 /nfs/dbraw/zinc/16/65/86/655166586.db2.gz IFUKNFCWCUVDGB-CYBMUJFWSA-N 1 0 386.359 2.753 20 0 GFADRO C[NH+](C)[C@H]1CCCN(CC(=O)Nc2c(F)cc(F)cc2Br)C1 ZINC000111248562 655167396 /nfs/dbraw/zinc/16/73/96/655167396.db2.gz XPPXCLXHFZENKU-NSHDSACASA-N 1 0 376.245 2.692 20 0 GFADRO C[C@H](O)C1CC[NH+]([C@@H](C)C(=O)N(C)Cc2ccc(Br)cc2)CC1 ZINC000111286950 655168006 /nfs/dbraw/zinc/16/80/06/655168006.db2.gz LQVKSNJDXSMWFD-KBPBESRZSA-N 1 0 383.330 2.889 20 0 GFADRO COc1cc(Cl)c(S(=O)(=O)N(C)CC2CC[NH+](C)CC2)cc1Cl ZINC000111339991 655169219 /nfs/dbraw/zinc/16/92/19/655169219.db2.gz HPTAQTJFVMJNRI-UHFFFAOYSA-N 1 0 381.325 2.964 20 0 GFADRO COCCC[NH+]1CCC(NC(=O)Cc2cc(Br)ccc2OC)CC1 ZINC000173440178 655172452 /nfs/dbraw/zinc/17/24/52/655172452.db2.gz XRLVRHQIDKQJMM-UHFFFAOYSA-N 1 0 399.329 2.617 20 0 GFADRO CS[C@@H]1CN([C@@H](C)C(=O)N2CCc3sccc3C2)C[C@@H]1[NH+]1CCCC1 ZINC000274093363 655172669 /nfs/dbraw/zinc/17/26/69/655172669.db2.gz RYJQVKVEPMOELN-QILLFSRXSA-N 1 0 379.595 2.533 20 0 GFADRO C[N@@H+]1CCC[C@@H]1CNC(=O)CCC[S@@](=O)c1ccc(Br)cc1 ZINC000111581771 655174145 /nfs/dbraw/zinc/17/41/45/655174145.db2.gz ANZURWLIWUBGEY-PEBXRYMYSA-N 1 0 387.343 2.547 20 0 GFADRO COC(=O)c1ccc(Cl)c(S(=O)(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)c1 ZINC000173670005 655175983 /nfs/dbraw/zinc/17/59/83/655175983.db2.gz NEXMGCMAQNKSIO-CQSZACIVSA-N 1 0 388.917 2.622 20 0 GFADRO O=C(NCC1CC[NH+](CCO)CC1)Nc1ccc(Br)cc1Cl ZINC000111709620 655176648 /nfs/dbraw/zinc/17/66/48/655176648.db2.gz HULBVNCRVMOQKZ-UHFFFAOYSA-N 1 0 390.709 2.928 20 0 GFADRO Cc1ccc(NC(=O)NCCCC[NH+]2CCN(C)CC2)cc1Br ZINC000111719147 655176664 /nfs/dbraw/zinc/17/66/64/655176664.db2.gz YUIDTKAZARWWAN-UHFFFAOYSA-N 1 0 383.334 2.907 20 0 GFADRO Cc1nc(Cl)ccc1NC(=O)C(=O)N(CC[NH+](C)C)Cc1ccsc1 ZINC000839593212 661094548 /nfs/dbraw/zinc/09/45/48/661094548.db2.gz SGKOKHCUWYVFLL-UHFFFAOYSA-N 1 0 380.901 2.634 20 0 GFADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)NC1(c2ccc(Br)cc2)CC1 ZINC000111846970 655177986 /nfs/dbraw/zinc/17/79/86/655177986.db2.gz ISTMNELWKPVISM-INIZCTEOSA-N 1 0 396.329 2.848 20 0 GFADRO C[N@H+](CC(=O)N1CCN(Cc2ccc(Br)s2)CC1)C1CCC1 ZINC000173915767 655185204 /nfs/dbraw/zinc/18/52/04/655185204.db2.gz CWNLZBLDCPHJHB-UHFFFAOYSA-N 1 0 386.359 2.639 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)CN1CCSC1=O)c1cccc(C(F)(F)F)c1 ZINC000274375533 655186169 /nfs/dbraw/zinc/18/61/69/655186169.db2.gz HTHAKXRIWSEHEC-ZDUSSCGKSA-N 1 0 375.416 2.593 20 0 GFADRO O=C(Nc1cccc(Br)c1)C1CC[NH+](CCC2OCCO2)CC1 ZINC000274434716 655188375 /nfs/dbraw/zinc/18/83/75/655188375.db2.gz HSYIAOOPGKLGBP-UHFFFAOYSA-N 1 0 383.286 2.863 20 0 GFADRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)NCc1ccc(Br)s1 ZINC000174001242 655189510 /nfs/dbraw/zinc/18/95/10/655189510.db2.gz YXJZMGGGTKZXSW-LBPRGKRZSA-N 1 0 390.347 2.763 20 0 GFADRO C[N@H+](C[C@@H](O)COc1ccccc1F)C[C@H](O)c1cccc(Br)c1 ZINC000839635758 661097293 /nfs/dbraw/zinc/09/72/93/661097293.db2.gz KCQNZCHTEJKTFT-WBVHZDCISA-N 1 0 398.272 2.993 20 0 GFADRO C[NH+](C)CCOc1cccc(CNC(=O)c2ccc(Br)nc2)c1 ZINC000174177332 655193272 /nfs/dbraw/zinc/19/32/72/655193272.db2.gz HJDDMSSGUDNCFP-UHFFFAOYSA-N 1 0 378.270 2.715 20 0 GFADRO CC[NH+]1CCN([C@@H](C)CNC(=O)c2cc(-c3ccc(Cl)s3)on2)CC1 ZINC000112916884 655199331 /nfs/dbraw/zinc/19/93/31/655199331.db2.gz PEDINDLTQSNSKG-LBPRGKRZSA-N 1 0 382.917 2.812 20 0 GFADRO C[NH+](C)CCC1CCN(C(=O)CNC(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000112924842 655199864 /nfs/dbraw/zinc/19/98/64/655199864.db2.gz NJQLJNUHPVBUGK-UHFFFAOYSA-N 1 0 386.323 2.914 20 0 GFADRO Brc1ccc2ncnc(N3CCC(C[NH+]4CCOCC4)CC3)c2c1 ZINC000112964692 655200522 /nfs/dbraw/zinc/20/05/22/655200522.db2.gz XFDOBRYYYJIHEP-UHFFFAOYSA-N 1 0 391.313 2.941 20 0 GFADRO CS[C@@H]1CN(C(=O)c2ccc(C)nc2Br)C[C@@H]1[NH+]1CCCC1 ZINC000274854024 655204430 /nfs/dbraw/zinc/20/44/30/655204430.db2.gz BJNFZALXRBHBPE-UONOGXRCSA-N 1 0 384.343 2.804 20 0 GFADRO COc1cc(C)c(Br)cc1S(=O)(=O)NCCC[NH+]1CCCC1 ZINC000175197904 655215305 /nfs/dbraw/zinc/21/53/05/655215305.db2.gz IPERBIHGSYEXSD-UHFFFAOYSA-N 1 0 391.331 2.530 20 0 GFADRO CN(Cc1csc(Br)c1)C(=O)NCC1([NH+](C)C)CCOCC1 ZINC000114037187 655217488 /nfs/dbraw/zinc/21/74/88/655217488.db2.gz PXSAYAYJEVVIBJ-UHFFFAOYSA-N 1 0 390.347 2.763 20 0 GFADRO CCC[N@@H+]1CCCN(S(=O)(=O)c2cc(Cl)c(NC(C)=O)cc2F)CC1 ZINC000114209190 655218253 /nfs/dbraw/zinc/21/82/53/655218253.db2.gz UJCCUQGVHBFMDV-UHFFFAOYSA-N 1 0 391.896 2.544 20 0 GFADRO COc1cc(S(=O)(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)ccc1Br ZINC000175305711 655219299 /nfs/dbraw/zinc/21/92/99/655219299.db2.gz NKMZZZIAOPEQJO-VXGBXAGGSA-N 1 0 391.331 2.561 20 0 GFADRO C[NH+](C)C[C@H]1CCN(C(=O)c2ccn(-c3cccc(Br)c3)n2)C1 ZINC000114399207 655223372 /nfs/dbraw/zinc/22/33/72/655223372.db2.gz TVGMGFHFFBLWKH-CYBMUJFWSA-N 1 0 377.286 2.659 20 0 GFADRO C[C@@H]1C[N@@H+](CCCNC(=O)CCc2ccc(Br)cc2)C[C@H](C)O1 ZINC000175976125 655230538 /nfs/dbraw/zinc/23/05/38/655230538.db2.gz IUMFHELDKKMKQY-GASCZTMLSA-N 1 0 383.330 2.997 20 0 GFADRO C[C@@H](CNC(=O)N1CC[C@@H](C[NH+](C)C)C1)Oc1cccc(Br)c1 ZINC000275364351 655232134 /nfs/dbraw/zinc/23/21/34/655232134.db2.gz XVBMBSLGNWZDJB-KBPBESRZSA-N 1 0 384.318 2.810 20 0 GFADRO Cc1sc(=O)n(CCC(=O)NC2CC[NH+](Cc3ccsc3)CC2)c1C ZINC000115117283 655232716 /nfs/dbraw/zinc/23/27/16/655232716.db2.gz YAURWFWLGZUBQB-UHFFFAOYSA-N 1 0 379.551 2.759 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1cc(I)c[nH]1 ZINC000115319626 655234900 /nfs/dbraw/zinc/23/49/00/655234900.db2.gz QYBGDOWEUFNWHQ-LLVKDONJSA-N 1 0 375.254 2.614 20 0 GFADRO C[N@H+](CCCNC(=O)c1cc(I)c[nH]1)Cc1ccccc1 ZINC000115322156 655234930 /nfs/dbraw/zinc/23/49/30/655234930.db2.gz JAIUOTLGWAAHIV-UHFFFAOYSA-N 1 0 397.260 2.871 20 0 GFADRO CN(CC[N@H+](C)C1CCCCC1)C(=O)c1cc(I)c[nH]1 ZINC000115348660 655235866 /nfs/dbraw/zinc/23/58/66/655235866.db2.gz NTJORXQTCZVMNZ-UHFFFAOYSA-N 1 0 389.281 2.956 20 0 GFADRO CCn1cc(Br)cc1C(=O)NCCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000176131003 655236242 /nfs/dbraw/zinc/23/62/42/655236242.db2.gz MJYIUIZGLHGFNH-OKILXGFUSA-N 1 0 386.334 2.890 20 0 GFADRO O=C(C[NH+](CC1CC1)CC1CC1)NCC(=O)Nc1ccccc1Br ZINC000115564500 655238831 /nfs/dbraw/zinc/23/88/31/655238831.db2.gz ILZCICHJBRJUEX-UHFFFAOYSA-N 1 0 394.313 2.626 20 0 GFADRO CCc1ccc([C@H](CNC(=O)NCc2nnc(SC)s2)[NH+](C)C)cc1 ZINC000275583357 655242887 /nfs/dbraw/zinc/24/28/87/655242887.db2.gz DTZHUZWYPGUYDE-AWEZNQCLSA-N 1 0 379.555 2.925 20 0 GFADRO COc1ccc(C[NH2+][C@H]2CCCO[C@@H]2c2nccn2C)c(Br)c1O ZINC000275641632 655245187 /nfs/dbraw/zinc/24/51/87/655245187.db2.gz SYEVKKAWBKCWNH-LRDDRELGSA-N 1 0 396.285 2.907 20 0 GFADRO CC1CC[NH+](C[C@H](O)CNC(=O)CCc2cc(Br)cs2)CC1 ZINC000116450277 655247840 /nfs/dbraw/zinc/24/78/40/655247840.db2.gz INACHDLMGKLLMD-CQSZACIVSA-N 1 0 389.359 2.652 20 0 GFADRO C[C@@H](NC(=O)NOCc1ccc(F)cc1Br)C1=CC[N@H+](C)CC1 ZINC000275806188 655252073 /nfs/dbraw/zinc/25/20/73/655252073.db2.gz KXQJDGCGEQXJNN-LLVKDONJSA-N 1 0 386.265 2.969 20 0 GFADRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)Nc1ccccc1Br ZINC000275928187 655255661 /nfs/dbraw/zinc/25/56/61/655255661.db2.gz VKYWIUDKLRQIPF-GFCCVEGCSA-N 1 0 382.302 2.576 20 0 GFADRO O=C(NCCC[NH+]1CCCC1)c1ccc(S(=O)(=O)c2ccccc2)s1 ZINC000176898550 655259733 /nfs/dbraw/zinc/25/97/33/655259733.db2.gz WLYDFGOXTPNTKV-UHFFFAOYSA-N 1 0 378.519 2.797 20 0 GFADRO COCC[N@@H+]1CC[C@H](NC(=O)Nc2cc(Br)c(F)cc2F)C1 ZINC000276082586 655261401 /nfs/dbraw/zinc/26/14/01/655261401.db2.gz ODUISZBQDJGAMY-VIFPVBQESA-N 1 0 378.217 2.570 20 0 GFADRO CC[C@H](Cc1cccc(Br)c1)C(=O)N[C@@H](C)CN1CC[NH+](C)CC1 ZINC000117255012 655262572 /nfs/dbraw/zinc/26/25/72/655262572.db2.gz GMWXWSYUUCCKAH-DOTOQJQBSA-N 1 0 396.373 2.770 20 0 GFADRO COc1c(Cl)cc(NC(=O)C(=O)N(C)[C@H]2CC[N@H+](C)C[C@H]2C)cc1Cl ZINC000276139299 655264202 /nfs/dbraw/zinc/26/42/02/655264202.db2.gz UKSAUOGCPNHBFR-YGRLFVJLSA-N 1 0 388.295 2.739 20 0 GFADRO Cc1cc(S(=O)(=O)N(CC[NH+](C)C)Cc2ccccc2F)cnc1Cl ZINC000117360842 655264687 /nfs/dbraw/zinc/26/46/87/655264687.db2.gz IRPCJULEMGQTJP-UHFFFAOYSA-N 1 0 385.892 2.935 20 0 GFADRO COc1ccc(C[NH+]2CCC(CNC(=O)[C@H]3CSCCS3)CC2)cc1 ZINC000177054398 655266394 /nfs/dbraw/zinc/26/63/94/655266394.db2.gz JKNINLQTUBBHNK-GOSISDBHSA-N 1 0 380.579 2.872 20 0 GFADRO C[C@H]([NH2+]C1(CNC(=O)[C@H]2CSCCS2)CCOCC1)c1ccccc1 ZINC000177287131 655273380 /nfs/dbraw/zinc/27/33/80/655273380.db2.gz MWGRKLDAXPGRGS-DOTOQJQBSA-N 1 0 380.579 2.851 20 0 GFADRO CCN1CC[NH+](C[C@H](C)CNC(=O)Nc2ccc(Br)cc2)CC1 ZINC000118786679 655282288 /nfs/dbraw/zinc/28/22/88/655282288.db2.gz BSKISJWGHFPTGY-CQSZACIVSA-N 1 0 383.334 2.844 20 0 GFADRO CC[NH+]1CCC(NC(=O)c2nc(Br)ccc2Br)CC1 ZINC000276712424 655284593 /nfs/dbraw/zinc/28/45/93/655284593.db2.gz YBONQSOYQYVIPX-UHFFFAOYSA-N 1 0 391.107 2.821 20 0 GFADRO CC[NH+](CC)CCN(C(=O)c1scc(C)c1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000276836845 655289554 /nfs/dbraw/zinc/28/95/54/655289554.db2.gz PIKUCEDTWQRCPP-ZDUSSCGKSA-N 1 0 392.974 2.681 20 0 GFADRO COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000276864728 655290852 /nfs/dbraw/zinc/29/08/52/655290852.db2.gz XSFOWEYCCKVSGA-GXTWGEPZSA-N 1 0 386.279 2.684 20 0 GFADRO CC(C)(C)S(=O)(=O)N1CCC([NH2+]Cc2c(Cl)nc3ccccn32)CC1 ZINC000276916874 655292891 /nfs/dbraw/zinc/29/28/91/655292891.db2.gz KATISRRBGHYPFC-UHFFFAOYSA-N 1 0 384.933 2.670 20 0 GFADRO CO[C@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1ccccc1I ZINC000276926888 655293516 /nfs/dbraw/zinc/29/35/16/655293516.db2.gz IBECBPPPHNAYAB-KGLIPLIRSA-N 1 0 388.249 2.777 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000178000401 655294568 /nfs/dbraw/zinc/29/45/68/655294568.db2.gz WRVKOCAAVQMBPH-KBPBESRZSA-N 1 0 382.302 2.685 20 0 GFADRO Cc1cccc(C(=O)N2CCN(C[C@H]3CCCC[N@H+]3C)CC2)c1Br ZINC000119264220 655295857 /nfs/dbraw/zinc/29/58/57/655295857.db2.gz RZIWRPQHSLEFIX-MRXNPFEDSA-N 1 0 394.357 3.000 20 0 GFADRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)Nc1nc(-c2cccs2)cs1 ZINC000119303620 655297732 /nfs/dbraw/zinc/29/77/32/655297732.db2.gz GJRBJZYGLOTIAF-YPMHNXCESA-N 1 0 378.523 2.609 20 0 GFADRO CCOC(=O)N1CCC([NH2+]C[C@@H](CO)Cc2ccccc2Br)CC1 ZINC000277012273 655298185 /nfs/dbraw/zinc/29/81/85/655298185.db2.gz LKYHTWXECDKANY-AWEZNQCLSA-N 1 0 399.329 2.811 20 0 GFADRO C[C@@H]([NH2+]CC1CCN(S(C)(=O)=O)CC1)c1ccc(F)c(Br)c1 ZINC000178261798 655300713 /nfs/dbraw/zinc/30/07/13/655300713.db2.gz JWWJLXDBUIBVIH-LLVKDONJSA-N 1 0 393.322 2.910 20 0 GFADRO C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CCCN1CCOC1=O ZINC000178585043 655305243 /nfs/dbraw/zinc/30/52/43/655305243.db2.gz MPRIMAWHNPQPMK-LBPRGKRZSA-N 1 0 384.274 2.598 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)C1([NH+](C)C)CCC1 ZINC000119767748 655314444 /nfs/dbraw/zinc/31/44/44/655314444.db2.gz HKBAOUFWSDNNOK-UHFFFAOYSA-N 1 0 382.302 2.687 20 0 GFADRO C[C@@H]1C[N@H+](CCCNC(=O)c2c(F)cc(Br)cc2F)CCCO1 ZINC000277383183 655316053 /nfs/dbraw/zinc/31/60/53/655316053.db2.gz CVQWTXYDZBKCSD-LLVKDONJSA-N 1 0 391.256 2.958 20 0 GFADRO CS(=O)(=O)c1csc(C(=O)Nc2cccc(C[NH+]3CCSCC3)c2)c1 ZINC000119819615 655316788 /nfs/dbraw/zinc/31/67/88/655316788.db2.gz HFPZBDVTHXDJGH-UHFFFAOYSA-N 1 0 396.559 2.953 20 0 GFADRO CCOCC[C@H](O)C[NH+]1CCC(C(=O)Nc2ccccc2Br)CC1 ZINC000277402043 655317252 /nfs/dbraw/zinc/31/72/52/655317252.db2.gz CXDYHVBMQVIONZ-HNNXBMFYSA-N 1 0 399.329 2.887 20 0 GFADRO COc1ccc([C@H](CNc2ncncc2Br)[NH+](C)C)cc1OC ZINC000119865055 655318919 /nfs/dbraw/zinc/31/89/19/655318919.db2.gz VDODCKHOFRHLOR-ZDUSSCGKSA-N 1 0 381.274 2.971 20 0 GFADRO Cc1ccc(NC(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)c(Br)n1 ZINC000277496590 655322873 /nfs/dbraw/zinc/32/28/73/655322873.db2.gz PEPKKEWLQJYNHA-ZDUSSCGKSA-N 1 0 385.306 2.775 20 0 GFADRO O=C(NCCc1ccc(OCC[NH+]2CCCC2)cc1)[C@H]1CSCCS1 ZINC000180394516 655326326 /nfs/dbraw/zinc/32/63/26/655326326.db2.gz RLFNRANHJINEQD-GOSISDBHSA-N 1 0 380.579 2.669 20 0 GFADRO Cc1n[nH]cc1[C@H](C)[NH2+]CCOc1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000181041776 655331859 /nfs/dbraw/zinc/33/18/59/655331859.db2.gz WWAGRZYHAPZKLX-JTQLQIEISA-N 1 0 377.388 2.741 20 0 GFADRO O=C(CCc1nc(-c2cc(Br)cs2)no1)NCC1CC[NH2+]CC1 ZINC000120447604 655336235 /nfs/dbraw/zinc/33/62/35/655336235.db2.gz TXRJJLMFZTUPJU-UHFFFAOYSA-N 1 0 399.314 2.609 20 0 GFADRO OC[C@@]1([NH2+]C[C@@H](O)c2ccc(F)c(Br)c2)CCOc2ccccc21 ZINC000281611929 655336303 /nfs/dbraw/zinc/33/63/03/655336303.db2.gz GRSLICJHPGCYIW-AEFFLSMTSA-N 1 0 396.256 2.882 20 0 GFADRO C[C@]1(C(=O)NC2CCN(Cc3ccc(Br)cc3)CC2)CCC[NH2+]C1 ZINC000120477278 655336814 /nfs/dbraw/zinc/33/68/14/655336814.db2.gz BHODSZNRCCGYOK-IBGZPJMESA-N 1 0 394.357 2.919 20 0 GFADRO C[NH+](C)C[C@H]1CCN(S(=O)(=O)c2ccc(Cl)cc2Br)C1 ZINC000281872127 655339673 /nfs/dbraw/zinc/33/96/73/655339673.db2.gz MIULSBNMYKJUDQ-SNVBAGLBSA-N 1 0 381.723 2.675 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000120578617 655339704 /nfs/dbraw/zinc/33/97/04/655339704.db2.gz QERNBLAAYVDGPS-UHFFFAOYSA-N 1 0 394.313 2.783 20 0 GFADRO C[NH+](C)C1CCN(C(=O)CCNC(=O)Nc2ccc(Br)cc2)CC1 ZINC000120645087 655341219 /nfs/dbraw/zinc/34/12/19/655341219.db2.gz BPEVEIGNJPBZKH-UHFFFAOYSA-N 1 0 397.317 2.513 20 0 GFADRO CC[C@H]([NH2+]CCOCCS(C)(=O)=O)c1cc(F)cc(Br)c1 ZINC000181991824 655341811 /nfs/dbraw/zinc/34/18/11/655341811.db2.gz BPHHCRMXCUSZEA-AWEZNQCLSA-N 1 0 382.295 2.690 20 0 GFADRO CC(C)c1cc(Br)ccc1NC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000120770864 655343573 /nfs/dbraw/zinc/34/35/73/655343573.db2.gz VHEATRZLMJTDDL-CYBMUJFWSA-N 1 0 396.329 2.921 20 0 GFADRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)NCCC[NH+]2CCCCC2)c1 ZINC000183429678 655351297 /nfs/dbraw/zinc/35/12/97/655351297.db2.gz PCLJQLBIUQOLKK-UHFFFAOYSA-N 1 0 375.878 2.711 20 0 GFADRO Cn1ncc(CCC[NH2+]Cc2cc(Br)ccc2OC(F)F)n1 ZINC000292889936 655356124 /nfs/dbraw/zinc/35/61/24/655356124.db2.gz FQFLZQCPSOOJRM-UHFFFAOYSA-N 1 0 375.217 2.901 20 0 GFADRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)c3c(F)cc(Br)cc3F)[C@H]2C1 ZINC000293929061 655362983 /nfs/dbraw/zinc/36/29/83/655362983.db2.gz PNXYLYJWIMQFRP-UONOGXRCSA-N 1 0 389.240 2.663 20 0 GFADRO CSCC[C@@H]1NC(=S)N(C[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)C1=O ZINC000186837438 655371638 /nfs/dbraw/zinc/37/16/38/655371638.db2.gz MEWKTTOXWIFQCA-IRXDYDNUSA-N 1 0 377.579 2.735 20 0 GFADRO CC[C@H]([NH2+][C@@H](C)c1cc(Br)cc(C)c1O)C(=O)N1CCOCC1 ZINC000187286803 655373434 /nfs/dbraw/zinc/37/34/34/655373434.db2.gz VBTHKPVIYWDPRN-WFASDCNBSA-N 1 0 385.302 2.751 20 0 GFADRO CCN1CC[NH+](CCCCNC(=O)Cc2cccc(Br)c2)CC1 ZINC000299630850 655377600 /nfs/dbraw/zinc/37/76/00/655377600.db2.gz LOGWEVPZWIUCMR-UHFFFAOYSA-N 1 0 382.346 2.526 20 0 GFADRO CCN(CCC[NH+]1CCCC1)S(=O)(=O)c1cc(C(=O)OC)ccc1Cl ZINC000188264847 655379141 /nfs/dbraw/zinc/37/91/41/655379141.db2.gz RXKPPBFYBDBTSQ-UHFFFAOYSA-N 1 0 388.917 2.623 20 0 GFADRO C[C@H]1CN(Cn2ncc3c2cccc3Br)CC[N@@H+]1CC(C)(C)O ZINC000188973569 655383561 /nfs/dbraw/zinc/38/35/61/655383561.db2.gz RXKOBQPUEPMFPJ-ZDUSSCGKSA-N 1 0 381.318 2.533 20 0 GFADRO O=C1CN(Cc2cccc(Br)c2)C(=O)N1[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000349237909 655388743 /nfs/dbraw/zinc/38/87/43/655388743.db2.gz NJROJSLXASRKSC-JKSUJKDBSA-N 1 0 392.297 2.840 20 0 GFADRO CC[C@@H](C)[N@H+](C)CCN1C(=O)CN(Cc2cccc(Br)c2)C1=O ZINC000349376811 655389684 /nfs/dbraw/zinc/38/96/84/655389684.db2.gz UPLRHGJQGNNDHT-CYBMUJFWSA-N 1 0 382.302 2.944 20 0 GFADRO CN1CCC2(CC[NH+](C[C@H](O)COc3ccc(Cl)cc3Cl)CC2)C1=O ZINC000365335291 655393870 /nfs/dbraw/zinc/39/38/70/655393870.db2.gz DDTDSNUZTHFKEV-AWEZNQCLSA-N 1 0 387.307 2.677 20 0 GFADRO Cn1ccnc1[C@@H]1CCCN([C@H](C(N)=O)c2ccc(Br)cc2F)C1 ZINC000365631200 655394787 /nfs/dbraw/zinc/39/47/87/655394787.db2.gz QFQVBJQAZKSKPT-ABAIWWIYSA-N 1 0 395.276 2.728 20 0 GFADRO Cc1cc(C(=O)N2CCC[N@@H+](C)CC2)nn1-c1ccc(Br)cc1 ZINC000365907214 655396309 /nfs/dbraw/zinc/39/63/09/655396309.db2.gz RZUZUJYKTHFVEC-UHFFFAOYSA-N 1 0 377.286 2.721 20 0 GFADRO O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)c1cc2cc(Br)ccc2[nH]1 ZINC000366191630 655399498 /nfs/dbraw/zinc/39/94/98/655399498.db2.gz LNRQEXLDSBLNAQ-OAHLLOKOSA-N 1 0 392.297 2.914 20 0 GFADRO C[C@H](Oc1cccc(Br)c1)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000366197424 655399823 /nfs/dbraw/zinc/39/98/23/655399823.db2.gz SBWFOURCRMRKOP-XJKSGUPXSA-N 1 0 397.313 2.586 20 0 GFADRO O=C(CCc1cccc(Br)c1)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000366594134 655400284 /nfs/dbraw/zinc/40/02/84/655400284.db2.gz WTZRSIYVLHVHTB-QGZVFWFLSA-N 1 0 381.314 2.751 20 0 GFADRO CC(C)(O)C[N@@H+]1CCCN(C(=O)CCc2cccc(Br)c2)CC1 ZINC000366676877 655400499 /nfs/dbraw/zinc/40/04/99/655400499.db2.gz DNFNBXHUILOGKT-UHFFFAOYSA-N 1 0 383.330 2.687 20 0 GFADRO CC[NH+](CC)[C@@H](CNC(=O)c1cc(Br)nn1C)Cc1ccccc1 ZINC000191927147 655401403 /nfs/dbraw/zinc/40/14/03/655401403.db2.gz VUPWRBCVNXXGEC-OAHLLOKOSA-N 1 0 393.329 2.866 20 0 GFADRO COCC[N@@H+]1CCC[C@@H](NC(=O)c2cc(Cl)cc(Br)c2)C1 ZINC000398943881 655402543 /nfs/dbraw/zinc/40/25/43/655402543.db2.gz YSRDGPVCAHUITE-CQSZACIVSA-N 1 0 375.694 2.943 20 0 GFADRO CC[NH2+]CCNC(=O)N1CCC[C@@H]1c1ccccc1I ZINC000418321326 655405452 /nfs/dbraw/zinc/40/54/52/655405452.db2.gz YSXWHONHKKPUJS-CQSZACIVSA-N 1 0 387.265 2.747 20 0 GFADRO COc1ccc(Br)cc1CN(C)C(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000418342449 655405653 /nfs/dbraw/zinc/40/56/53/655405653.db2.gz MYPKRYQRZKLTQL-STQMWFEESA-N 1 0 384.318 2.987 20 0 GFADRO COc1ccc(Br)c(CN(C)C(=O)NCC[C@@H]2CCC[NH2+]C2)c1 ZINC000418355751 655405853 /nfs/dbraw/zinc/40/58/53/655405853.db2.gz XIYOHPHTCRTMQT-ZDUSSCGKSA-N 1 0 384.318 2.989 20 0 GFADRO COCC[C@H](Cc1cccc(Br)c1)C(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000424026590 655407904 /nfs/dbraw/zinc/40/79/04/655407904.db2.gz KVSAREZEONZPCJ-VQIMIIECSA-N 1 0 395.341 2.999 20 0 GFADRO O=C(NCc1cc(Cl)cc(Cl)c1OC(F)F)c1[nH]nc2c1C[NH2+]CC2 ZINC000446286483 655409786 /nfs/dbraw/zinc/40/97/86/655409786.db2.gz CPUXFMSHBFTJKC-UHFFFAOYSA-N 1 0 391.205 2.894 20 0 GFADRO COc1cc(C[NH2+]CCC2(CO)CC2)cc(I)c1OC ZINC000449577020 655410625 /nfs/dbraw/zinc/41/06/25/655410625.db2.gz CBCSEROWSBQXSP-UHFFFAOYSA-N 1 0 391.249 2.561 20 0 GFADRO CCN(CCC[NH+](C)C)C(=O)C(=O)Nc1cc(Cl)cc(Br)c1 ZINC000453722097 655412518 /nfs/dbraw/zinc/41/25/18/655412518.db2.gz CBSUAZMDOFJOSS-UHFFFAOYSA-N 1 0 390.709 2.841 20 0 GFADRO Cc1cc(NC(=O)NCCCC[NH+]2CCN(C)CC2)ccc1Br ZINC000517926839 655419414 /nfs/dbraw/zinc/41/94/14/655419414.db2.gz QMTFZFSOXXBRBX-UHFFFAOYSA-N 1 0 383.334 2.907 20 0 GFADRO C[NH+]1CCC(N(CCO)C(=O)c2ccc(Cl)c(Br)c2)CC1 ZINC000234337992 655424270 /nfs/dbraw/zinc/42/42/70/655424270.db2.gz VUYGAXPENNPAEC-UHFFFAOYSA-N 1 0 375.694 2.631 20 0 GFADRO O=S1(=O)CCC(CC[NH2+]C[C@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000566063376 655424524 /nfs/dbraw/zinc/42/45/24/655424524.db2.gz RDLYWILRAQLLCM-ZDUSSCGKSA-N 1 0 396.336 2.538 20 0 GFADRO C[NH2+]C[C@@H](C)C(=O)NCCSCCOc1cccc(Br)c1 ZINC000237197419 655425755 /nfs/dbraw/zinc/42/57/55/655425755.db2.gz QIXVUEAYTHWOQM-GFCCVEGCSA-N 1 0 375.332 2.533 20 0 GFADRO C[C@H](C[N@@H+]1CCC[C@@H](CS(N)(=O)=O)C1)c1cccc(Br)c1 ZINC000574183174 655425971 /nfs/dbraw/zinc/42/59/71/655425971.db2.gz RJMCUFJAIFTBIR-CHWSQXEVSA-N 1 0 375.332 2.553 20 0 GFADRO CCC[C@H]1C[NH2+]CCN1C(=O)C1CCN(C(=O)c2ccc(Cl)s2)CC1 ZINC000574201114 655426364 /nfs/dbraw/zinc/42/63/64/655426364.db2.gz IMLKCXMFFMOBHL-AWEZNQCLSA-N 1 0 383.945 2.854 20 0 GFADRO Cc1ccc(-n2nc(Br)cc2C(=O)N2CCC[C@@H](C[NH3+])C2)cc1 ZINC000237821622 655426498 /nfs/dbraw/zinc/42/64/98/655426498.db2.gz WAVZHMIUXVCKKN-ZDUSSCGKSA-N 1 0 377.286 2.754 20 0 GFADRO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)N1CCC[C@H](C[NH3+])C1 ZINC000237753520 655426501 /nfs/dbraw/zinc/42/65/01/655426501.db2.gz ANFSVLBZCAVQTG-LLVKDONJSA-N 1 0 379.254 2.675 20 0 GFADRO CC(C)C(=O)NC[C@@H]1CCC[N@H+](C[C@@H](O)c2cccc(Br)c2)C1 ZINC000245390010 655427457 /nfs/dbraw/zinc/42/74/57/655427457.db2.gz KHUNJBVBIDHCAP-WMLDXEAASA-N 1 0 383.330 2.967 20 0 GFADRO [NH3+]CCC1CCN(C(=O)CNC(=O)c2sc3ccccc3c2Cl)CC1 ZINC000574287341 655428143 /nfs/dbraw/zinc/42/81/43/655428143.db2.gz DCVBZPGXURAKSR-UHFFFAOYSA-N 1 0 379.913 2.872 20 0 GFADRO CC(C)(C[NH2+]C[C@H](O)COc1cc(Cl)ccc1Cl)C1(O)CCOCC1 ZINC000574312104 655428782 /nfs/dbraw/zinc/42/87/82/655428782.db2.gz IDLMLACNVDJPMF-AWEZNQCLSA-N 1 0 392.323 2.890 20 0 GFADRO O[C@H](COc1ccc(Cl)cc1Cl)C[N@@H+]1CCC[C@@H](C2OCCO2)C1 ZINC000246101228 655428978 /nfs/dbraw/zinc/42/89/78/655428978.db2.gz JQYHTKXBGTYIIU-OCCSQVGLSA-N 1 0 376.280 2.818 20 0 GFADRO C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)[C@@H]1CCN(c2cc(Cl)ccc2Cl)C1=O ZINC000574811196 655431176 /nfs/dbraw/zinc/43/11/76/655431176.db2.gz FQRMLCHWHQVTHM-RLSLPTNOSA-N 1 0 384.307 2.849 20 0 GFADRO C[C@H](CNC(=O)c1sccc1S(=O)(=O)C(F)F)N1CCC[C@@H](C)C1 ZINC000247206422 655431268 /nfs/dbraw/zinc/43/12/68/655431268.db2.gz RGXKKRXBZDPXER-GHMZBOCLSA-N 1 0 380.482 2.595 20 0 GFADRO CCS(=O)(=O)c1ccc(CNC(=O)c2ccc(CC[NH+](C)C)cc2)s1 ZINC000574821491 655431446 /nfs/dbraw/zinc/43/14/46/655431446.db2.gz JBFMNLYFYRHEQJ-UHFFFAOYSA-N 1 0 380.535 2.576 20 0 GFADRO COc1cc([C@H](C)[NH2+]C[C@@H]2CCC[C@@H](O)C2)ccc1S(=O)(=O)C(F)F ZINC000248121860 655432284 /nfs/dbraw/zinc/43/22/84/655432284.db2.gz NLQOAWOTXOABMH-OUCADQQQSA-N 1 0 377.453 2.893 20 0 GFADRO CC[N@H+](C[C@]1(C)CCN(C(=O)OC(C)(C)C)C1)[C@H](C)CS(=O)(=O)CC ZINC000248674781 655432967 /nfs/dbraw/zinc/43/29/67/655432967.db2.gz XNJDXTFOAVBIRR-QAPCUYQASA-N 1 0 376.563 2.779 20 0 GFADRO CC1(C)C[NH2+]CC[C@@H]1NC(=O)Nc1nnc(SCc2ccccc2)s1 ZINC000574904563 655433335 /nfs/dbraw/zinc/43/33/35/655433335.db2.gz FGXVCBLQRDIPBE-ZDUSSCGKSA-N 1 0 377.539 3.340 20 0 GFADRO CN(C)S(=O)(=O)N1CCC[C@@H]([NH2+][C@H]2CCSc3c(Cl)cccc32)C1 ZINC000575111903 655435814 /nfs/dbraw/zinc/43/58/14/655435814.db2.gz QGODJNIJVHNCMV-DOMZBBRYSA-N 1 0 389.974 2.737 20 0 GFADRO [NH3+][C@@H]1CN(S(=O)(=O)c2cc(Br)ccc2F)C[C@H]1c1ccccc1 ZINC000261621153 655441465 /nfs/dbraw/zinc/44/14/65/655441465.db2.gz DFVNRKHRYRYWLS-DZGCQCFKSA-N 1 0 399.285 2.704 20 0 GFADRO CC1(C)[C@@H]2OCCC[C@H]2[C@@]1([NH3+])C(=O)Nc1cnc2c(Br)cccn12 ZINC000575986447 655441680 /nfs/dbraw/zinc/44/16/80/655441680.db2.gz FGHWQEPBSRQTPP-OMXAPOSASA-N 1 0 393.285 2.568 20 0 GFADRO O=C(CC[N@@H+]1CCC[C@H](n2ccnn2)C1)Nc1ccccc1Br ZINC000576032849 655442268 /nfs/dbraw/zinc/44/22/68/655442268.db2.gz QBLRRNQWIVNVNZ-ZDUSSCGKSA-N 1 0 378.274 2.706 20 0 GFADRO O=C(CCNC(=O)[C@H]1CCC[NH2+]1)N(Cc1ccc(Cl)c(Cl)c1)C1CC1 ZINC000576035034 655442277 /nfs/dbraw/zinc/44/22/77/655442277.db2.gz BBSLYLUSIZDPOZ-MRXNPFEDSA-N 1 0 384.307 2.743 20 0 GFADRO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)N1C[C@@H](C[NH3+])C[C@@H]1C ZINC000261789765 655442354 /nfs/dbraw/zinc/44/23/54/655442354.db2.gz KTPOSKNMJGLKJD-GXSJLCMTSA-N 1 0 379.254 2.673 20 0 GFADRO C[C@H]1CCN(S(=O)(=O)c2c(Cl)cccc2Br)C[C@H]1C[NH3+] ZINC000261850651 655442677 /nfs/dbraw/zinc/44/26/77/655442677.db2.gz WQHUOPDLTVVYIF-VHSXEESVSA-N 1 0 381.723 2.708 20 0 GFADRO Cc1sc2ccc(Cl)cc2c1S(=O)(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000262350105 655445226 /nfs/dbraw/zinc/44/52/26/655445226.db2.gz UIWPNOMJNQDYRQ-CQSZACIVSA-N 1 0 399.969 2.531 20 0 GFADRO O=C(NCC[N@@H+]1CCCOCC1)NC1(Cc2ccccc2Br)CC1 ZINC000576481453 655448213 /nfs/dbraw/zinc/44/82/13/655448213.db2.gz ZASOYNTUCFLVJE-UHFFFAOYSA-N 1 0 396.329 2.546 20 0 GFADRO C[NH+](C)CC1CCN(S(=O)(=O)Cc2ccccc2Br)CC1 ZINC000576658367 655450618 /nfs/dbraw/zinc/45/06/18/655450618.db2.gz YPJLEXRVSHPEKO-UHFFFAOYSA-N 1 0 375.332 2.553 20 0 GFADRO Cc1cc(Br)cc(C)c1C[NH2+]C[C@@H](O)CN1C[C@@H](C)O[C@@H](C)C1 ZINC000576980005 655455841 /nfs/dbraw/zinc/45/58/41/655455841.db2.gz MMGJQHJKFKTMQW-HLLBOEOZSA-N 1 0 385.346 2.626 20 0 GFADRO CSC1(CNC(=O)c2cccnc2OCC(F)(F)F)CC[NH+](C)CC1 ZINC000577033343 655456608 /nfs/dbraw/zinc/45/66/08/655456608.db2.gz RWODQONIUBLCJK-UHFFFAOYSA-N 1 0 377.432 2.580 20 0 GFADRO O[C@H](C[NH2+]CC[C@H]1CCCCO1)COc1cc(F)cc(Br)c1 ZINC000577365724 655457876 /nfs/dbraw/zinc/45/78/76/655457876.db2.gz LSVYQTUHUZZOCU-HUUCEWRRSA-N 1 0 376.266 2.877 20 0 GFADRO CC(=O)Nc1cc(F)c(S(=O)(=O)NCC2([NH+](C)C)CCCC2)cc1Cl ZINC000264170958 655458261 /nfs/dbraw/zinc/45/82/61/655458261.db2.gz HTRHDPOGDJIGRZ-UHFFFAOYSA-N 1 0 391.896 2.590 20 0 GFADRO O=C(NCC1([NH+]2CCCC2)CCOCC1)c1cc(F)ccc1Br ZINC000264295132 655460470 /nfs/dbraw/zinc/46/04/70/655460470.db2.gz QTQHZUKADZHJPY-UHFFFAOYSA-N 1 0 385.277 2.963 20 0 GFADRO CCC[N@H+](CCC(=O)Nc1c(Cl)cccc1Cl)[C@H]1CC(=O)N(C)C1=O ZINC000577589887 655462773 /nfs/dbraw/zinc/46/27/73/655462773.db2.gz UIEHEXMNVSRDFU-ZDUSSCGKSA-N 1 0 386.279 2.791 20 0 GFADRO C[N@@H+]1CC[C@@H]2CCN(c3ncnc4cccc(I)c43)[C@H]2C1 ZINC000577670966 655464354 /nfs/dbraw/zinc/46/43/54/655464354.db2.gz JPEQAVPFMSNOCL-RISCZKNCSA-N 1 0 394.260 2.765 20 0 GFADRO CC[NH+](CC)CCNC(=O)CCC[S@@](=O)c1ccc(Br)cc1 ZINC000264643163 655467708 /nfs/dbraw/zinc/46/77/08/655467708.db2.gz FOUTYNNXHMTAQO-JOCHJYFZSA-N 1 0 389.359 2.795 20 0 GFADRO C[C@@H](Sc1cc(Cl)ccc1Cl)C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000264753578 655469789 /nfs/dbraw/zinc/46/97/89/655469789.db2.gz SVJUBRJOJJBTHO-DGCLKSJQSA-N 1 0 376.353 2.836 20 0 GFADRO C[N@H+](CCNC(=O)CCC[S@@](=O)c1ccc(Br)cc1)C1CC1 ZINC000264775089 655470131 /nfs/dbraw/zinc/47/01/31/655470131.db2.gz VYNUDNWKFBWOGZ-JOCHJYFZSA-N 1 0 387.343 2.547 20 0 GFADRO C[C@H]1CC[N@H+](CCNC(=O)c2cn(Cc3ccc(Cl)cc3Cl)nn2)C1 ZINC000578037895 655471740 /nfs/dbraw/zinc/47/17/40/655471740.db2.gz BNVMBHTZBXHIMS-LBPRGKRZSA-N 1 0 382.295 2.705 20 0 GFADRO C[NH2+][C@H](CC(C)(C)C)C(=O)NCCCNC(=O)c1ccc(Br)cc1 ZINC000578129303 655473211 /nfs/dbraw/zinc/47/32/11/655473211.db2.gz YNRBZZOTKKEJBD-OAHLLOKOSA-N 1 0 398.345 2.709 20 0 GFADRO C[C@@H](CNC(=O)c1cc2cc(Br)ccc2o1)N1CC[NH+](C)CC1 ZINC000265148152 655478213 /nfs/dbraw/zinc/47/82/13/655478213.db2.gz XZWOPLGJLMAUSF-LBPRGKRZSA-N 1 0 380.286 2.561 20 0 GFADRO O=C(NCC[C@@H]1CCC[NH2+]C1)Nc1cc(Br)cnc1-n1cccn1 ZINC000578606935 655482723 /nfs/dbraw/zinc/48/27/23/655482723.db2.gz OSWQGHGBHIWFLS-LBPRGKRZSA-N 1 0 393.289 2.541 20 0 GFADRO CC(=O)N[C@@H](CC(=O)N1CCCC[C@H]1CC[NH3+])c1ccc(Br)cc1 ZINC000578628773 655483345 /nfs/dbraw/zinc/48/33/45/655483345.db2.gz SDMBPNMFMKWJJI-IRXDYDNUSA-N 1 0 396.329 2.746 20 0 GFADRO CO[C@H]1CCN(C(=O)Cc2csc(-c3ccc(Cl)cc3)n2)[C@H](C[NH3+])C1 ZINC000578630828 655483387 /nfs/dbraw/zinc/48/33/87/655483387.db2.gz CYLPHMAWZPWTEM-HOTGVXAUSA-N 1 0 379.913 2.971 20 0 GFADRO O=C(Nc1nc(C(F)(F)F)cs1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000265457657 655483748 /nfs/dbraw/zinc/48/37/48/655483748.db2.gz DCYWZNKFVZJZFN-UHFFFAOYSA-N 1 0 378.420 2.738 20 0 GFADRO CSc1ccc(Cl)c(C(=O)N[C@H](C)C(=O)NCC[NH+]2CCCCC2)c1 ZINC000578657952 655483990 /nfs/dbraw/zinc/48/39/90/655483990.db2.gz GAMXBMDFKVUTAU-CYBMUJFWSA-N 1 0 383.945 2.782 20 0 GFADRO C[NH+](C)C/C=C/C(=O)N1CCC(C(=O)Nc2ccccc2Br)CC1 ZINC000265664783 655488429 /nfs/dbraw/zinc/48/84/29/655488429.db2.gz RPLVZZVNWBFCCA-VMPITWQZSA-N 1 0 394.313 2.744 20 0 GFADRO C[C@H]([NH2+]C1C[C@@H](C)O[C@H](C)C1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000579067355 655492806 /nfs/dbraw/zinc/49/28/06/655492806.db2.gz WUIJMPKNXSFGHM-MXWKQRLJSA-N 1 0 391.331 2.703 20 0 GFADRO Cc1cc(C(C)(C)C(=O)N2CCN(CC[NH+](C)C)CC2)ccc1Br ZINC000579064106 655492855 /nfs/dbraw/zinc/49/28/55/655492855.db2.gz UIZRXFRZWKNWFG-UHFFFAOYSA-N 1 0 396.373 2.741 20 0 GFADRO Cc1ccncc1CCC[NH2+]CCNS(=O)(=O)c1ccc(Cl)cc1C ZINC000579175727 655495467 /nfs/dbraw/zinc/49/54/67/655495467.db2.gz YXENLICXZITWLW-UHFFFAOYSA-N 1 0 381.929 2.853 20 0 GFADRO O[C@H](C[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2)COc1cccc(Br)c1 ZINC000579196172 655495989 /nfs/dbraw/zinc/49/59/89/655495989.db2.gz HYZBMAWGNFCGOI-XLNGHYISSA-N 1 0 382.298 2.736 20 0 GFADRO CCOC[C@H](O)C[NH2+][C@H]1CCCN(c2c(C)cc(Br)cc2C)C1=O ZINC000579229393 655496069 /nfs/dbraw/zinc/49/60/69/655496069.db2.gz VZODVEVDFBQMEZ-CVEARBPZSA-N 1 0 399.329 2.548 20 0 GFADRO Brc1ccc2c(c1)ncnc2NCC1([NH+]2CCCC2)CCOCC1 ZINC000579554783 655501326 /nfs/dbraw/zinc/50/13/26/655501326.db2.gz WPGPQUUNSKNUDL-UHFFFAOYSA-N 1 0 391.313 3.449 20 0 GFADRO C[C@H](CNC(=O)N(C)C[C@@H](O)c1cccc(Br)c1)[NH+]1CCCCC1 ZINC000840271154 661150663 /nfs/dbraw/zinc/15/06/63/661150663.db2.gz VPUVXTQLDLEWOM-RHSMWYFYSA-N 1 0 398.345 2.998 20 0 GFADRO CC1CC[NH+](C[C@H](O)CNC(=O)[C@H]2CCc3cc(Br)ccc32)CC1 ZINC000579596785 655502023 /nfs/dbraw/zinc/50/20/23/655502023.db2.gz LWWHMNFCIYEXPN-AEFFLSMTSA-N 1 0 395.341 2.688 20 0 GFADRO Cc1cc(NC(=O)NCC2=CC[NH2+]CC2)nn1-c1ccc(Cl)c(Cl)c1 ZINC000579687874 655502443 /nfs/dbraw/zinc/50/24/43/655502443.db2.gz VIROACKSRUTWDS-UHFFFAOYSA-N 1 0 380.279 3.529 20 0 GFADRO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(C(=O)COc2cccc(Br)c2)CC1 ZINC000579700675 655502569 /nfs/dbraw/zinc/50/25/69/655502569.db2.gz XOBRXMMYSAYRJU-SJLPKXTDSA-N 1 0 397.313 2.573 20 0 GFADRO O[C@@H](C[NH2+]C[C@@H](O)Cc1ccc(F)cc1)COc1ccccc1Br ZINC000579712673 655502872 /nfs/dbraw/zinc/50/28/72/655502872.db2.gz WXNLWKPPPYHILG-HOTGVXAUSA-N 1 0 398.272 2.521 20 0 GFADRO C[N@@H+]1CCCC[C@H]1CCOC(=O)c1ccc(N)cc1I ZINC000840279752 661151049 /nfs/dbraw/zinc/15/10/49/661151049.db2.gz CULWIHDDENPYBQ-LBPRGKRZSA-N 1 0 388.249 2.905 20 0 GFADRO Cn1cc(C[NH2+][C@@H]2CCC[C@H]2CNC(=O)OC(C)(C)C)c(Br)n1 ZINC000712464190 655522729 /nfs/dbraw/zinc/52/27/29/655522729.db2.gz WDLMIVUGBWIZSL-WCQYABFASA-N 1 0 387.322 2.966 20 0 GFADRO C[C@H](NS(=O)(=O)c1c(Cl)cccc1Br)C1CC[NH2+]CC1 ZINC000716587021 655523604 /nfs/dbraw/zinc/52/36/04/655523604.db2.gz ZWDKQVPLERSXFT-VIFPVBQESA-N 1 0 381.723 2.769 20 0 GFADRO [NH3+]C[C@@H]1CN(Cc2ccc(I)cc2)C[C@H]1C(F)(F)F ZINC000720818455 655524821 /nfs/dbraw/zinc/52/48/21/655524821.db2.gz VIEFNUVXINBQQW-ZYHUDNBSSA-N 1 0 384.183 2.860 20 0 GFADRO CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H]([NH2+]CCn2cc(Br)cn2)C1 ZINC000724084921 655525713 /nfs/dbraw/zinc/52/57/13/655525713.db2.gz UNPISLIBGTXCRA-TZMCWYRMSA-N 1 0 387.322 2.929 20 0 GFADRO COc1ccc2nc(Cl)ccc2c1S(=O)(=O)NCCC[NH+]1CCCC1 ZINC000725819527 655526670 /nfs/dbraw/zinc/52/66/70/655526670.db2.gz VXWKEVHHQSELEK-UHFFFAOYSA-N 1 0 383.901 2.661 20 0 GFADRO Cc1cc(N2CCC(C(=O)Nc3ccccc3Br)CC2)nc(N)[nH+]1 ZINC000726182153 655531839 /nfs/dbraw/zinc/53/18/39/655531839.db2.gz AHOUNCZMEIDXMG-UHFFFAOYSA-N 1 0 390.285 2.985 20 0 GFADRO Cc1csc([C@@](O)(CC(=O)N2CCC[C@@H]([NH2+]C(C)C)C2)C(F)(F)F)n1 ZINC000728604951 655557715 /nfs/dbraw/zinc/55/77/15/655557715.db2.gz LWUWFHXILPLWLA-DOMZBBRYSA-N 1 0 379.448 2.581 20 0 GFADRO CC(C)CNC(=O)C1CC[NH+](C[C@H](O)c2ccc(Br)cc2)CC1 ZINC000728911811 655559790 /nfs/dbraw/zinc/55/97/90/655559790.db2.gz JXRVSTOJWYMXCJ-KRWDZBQOSA-N 1 0 383.330 2.967 20 0 GFADRO CN(C)C(=O)c1ccc(C[NH2+]C[C@@H](O)c2ccc(Br)cc2)cc1 ZINC000728943516 655560456 /nfs/dbraw/zinc/56/04/56/655560456.db2.gz XUNGTFHSCGMEBH-QGZVFWFLSA-N 1 0 377.282 2.974 20 0 GFADRO O=C1CCCN1C[C@H]1CCCC[N@H+]1C[C@@H](O)c1ccc(Br)cc1 ZINC000732212436 655592795 /nfs/dbraw/zinc/59/27/95/655592795.db2.gz YTJNCYXCXCZKQV-IAGOWNOFSA-N 1 0 381.314 2.959 20 0 GFADRO CC[N@@H+]1CCCC[C@H]1CNS(=O)(=O)c1cc(Br)cnc1Cl ZINC000732223238 655593373 /nfs/dbraw/zinc/59/33/73/655593373.db2.gz CRTRXUIVOXIQGV-NSHDSACASA-N 1 0 396.738 2.650 20 0 GFADRO CC[C@@H](NC(=S)NC1CC[NH+](CCC(=O)N(C)C)CC1)c1cccs1 ZINC000734380449 655630071 /nfs/dbraw/zinc/63/00/71/655630071.db2.gz OHGBOHKIRSQRCC-OAHLLOKOSA-N 1 0 382.599 2.606 20 0 GFADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)CCN1C(=S)N=NC1c1cccs1 ZINC000735924742 655655438 /nfs/dbraw/zinc/65/54/38/655655438.db2.gz YMOJJUBCQAMJRU-ZDUSSCGKSA-N 1 0 379.555 2.676 20 0 GFADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)c1cn(-c2ccccc2Br)nn1 ZINC000736100720 655659014 /nfs/dbraw/zinc/65/90/14/655659014.db2.gz FJMWDRJVJFNOKC-ZDUSSCGKSA-N 1 0 392.301 2.634 20 0 GFADRO C[NH+](C)CCN(CCCc1ccccc1)S(=O)(=O)c1cccnc1Cl ZINC000738365390 655689833 /nfs/dbraw/zinc/68/98/33/655689833.db2.gz HRUZDLLRWHQQBG-UHFFFAOYSA-N 1 0 381.929 2.920 20 0 GFADRO COC(=O)c1nn(CN2CC[C@@H](C[NH+]3CCCCC3)C2)c(C)c1Br ZINC000742169140 655710960 /nfs/dbraw/zinc/71/09/60/655710960.db2.gz OSKURZHAOLMYMU-AWEZNQCLSA-N 1 0 399.333 2.506 20 0 GFADRO S=C1N=NC(Cc2cccs2)N1CN1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000742171087 655710986 /nfs/dbraw/zinc/71/09/86/655710986.db2.gz NHLSDHRQEYXQKX-OAHLLOKOSA-N 1 0 377.583 2.984 20 0 GFADRO C[C@@H](CNC(=O)CN1C(=S)N=NC1c1cccs1)[NH+]1CCC(C)CC1 ZINC000742402220 655717801 /nfs/dbraw/zinc/71/78/01/655717801.db2.gz VTHPQRXPTZSZFE-ZDUSSCGKSA-N 1 0 379.555 2.532 20 0 GFADRO CC(C)CN(CC[NH+](C)C)C(=O)COc1ccc(C=O)cc1Br ZINC000742642089 655719792 /nfs/dbraw/zinc/71/97/92/655719792.db2.gz NNWYTCDXKAHKFJ-UHFFFAOYSA-N 1 0 385.302 2.687 20 0 GFADRO COc1ccc(Cl)c(NC(=S)N2CCN(CC[NH+]3CCCC3)CC2)c1 ZINC000742976848 655723904 /nfs/dbraw/zinc/72/39/04/655723904.db2.gz BQXHXCYBMNAPMS-UHFFFAOYSA-N 1 0 382.961 2.759 20 0 GFADRO CC[C@H](CO)[NH+]1CCN(C(=S)NCCc2ccc(Cl)cc2Cl)CC1 ZINC000743017545 655724792 /nfs/dbraw/zinc/72/47/92/655724792.db2.gz HLBJMPCNUCDRLP-OAHLLOKOSA-N 1 0 390.380 2.799 20 0 GFADRO CC(C)[N@@H+]1CC[C@H](CNC(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)C1 ZINC000743359420 655728216 /nfs/dbraw/zinc/72/82/16/655728216.db2.gz VEAWQQRQHGMASE-GFCCVEGCSA-N 1 0 375.441 2.535 20 0 GFADRO CCC[N@H+](C)C[C@H]1CCN(Cn2c3ccc(Br)cc3oc2=O)C1 ZINC000743393463 655728629 /nfs/dbraw/zinc/72/86/29/655728629.db2.gz SGSAMXYJSHSCNY-CYBMUJFWSA-N 1 0 382.302 2.978 20 0 GFADRO CCN(C)C[C@H]1CC[N@H+](Cn2ccc(=O)c3cccc(Br)c32)C1 ZINC000743401247 655728801 /nfs/dbraw/zinc/72/88/01/655728801.db2.gz ZTHGFMLLBBOEJD-CQSZACIVSA-N 1 0 378.314 2.995 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)C(=O)Nc1ccc(Cl)nc1)c1ccc(Cl)cc1 ZINC000746810846 655767429 /nfs/dbraw/zinc/76/74/29/655767429.db2.gz CXCOLAYQEVKHJF-CQSZACIVSA-N 1 0 381.263 2.746 20 0 GFADRO Cc1ccc(C(=O)OCC(=O)NC2CC[NH+](C3CC3)CC2)cc1Br ZINC000747047770 655770816 /nfs/dbraw/zinc/77/08/16/655770816.db2.gz OXCUMHAPHRFENX-UHFFFAOYSA-N 1 0 395.297 2.657 20 0 GFADRO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]CCCOC1CCCC1 ZINC000747095075 655771656 /nfs/dbraw/zinc/77/16/56/655771656.db2.gz LWJHVIDHLLFVMR-AWEZNQCLSA-N 1 0 389.949 2.643 20 0 GFADRO C[NH+](C)CCn1cc(NC(=O)NC[C@@H](O)c2cc(Cl)cc(Cl)c2)cn1 ZINC000747557140 655780056 /nfs/dbraw/zinc/78/00/56/655780056.db2.gz UNGVMYQQUDJLAS-OAHLLOKOSA-N 1 0 386.283 2.607 20 0 GFADRO CCCS(=O)(=O)CC[NH2+]C1(c2cccc(Br)c2)CCOCC1 ZINC000747681739 655782016 /nfs/dbraw/zinc/78/20/16/655782016.db2.gz QJDYKCWBLTXGBO-UHFFFAOYSA-N 1 0 390.343 2.869 20 0 GFADRO COC(=O)c1cc(Br)cc(NC(=S)NCC[NH+](C)C)c1Cl ZINC000747722611 655782560 /nfs/dbraw/zinc/78/25/60/655782560.db2.gz UDBHIBYZRMTBQX-UHFFFAOYSA-N 1 0 394.722 2.737 20 0 GFADRO C[NH+]1CCC(NC(=S)N2CCO[C@H](c3cccc(Br)c3)C2)CC1 ZINC000748595964 655792553 /nfs/dbraw/zinc/79/25/53/655792553.db2.gz LKRQFAUJHNPLFX-INIZCTEOSA-N 1 0 398.370 2.791 20 0 GFADRO C[C@@H]([NH2+]CC(C)(C)[C@@H]1COCC12OCCO2)c1ccc(Br)nc1 ZINC000840795226 661188794 /nfs/dbraw/zinc/18/87/94/661188794.db2.gz FEGGHBVBTIEKRK-OCCSQVGLSA-N 1 0 385.302 2.910 20 0 GFADRO C[C@H]([NH2+]CC(C)(C)[C@@H]1COCC12OCCO2)c1ccc(Br)cn1 ZINC000840798473 661188884 /nfs/dbraw/zinc/18/88/84/661188884.db2.gz OQAHMTKLYQIPRK-WFASDCNBSA-N 1 0 385.302 2.910 20 0 GFADRO C[C@@H]([NH2+]CC(C)(C)[C@H]1COCC12OCCO2)c1nc(Br)cs1 ZINC000840798780 661188908 /nfs/dbraw/zinc/18/89/08/661188908.db2.gz XYNHDXWECQYLOH-GHMZBOCLSA-N 1 0 391.331 2.972 20 0 GFADRO C[C@H]([NH2+]CC(C)(C)[C@H]1COCC12OCCO2)c1nc(Br)cs1 ZINC000840798784 661189409 /nfs/dbraw/zinc/18/94/09/661189409.db2.gz XYNHDXWECQYLOH-WDEREUQCSA-N 1 0 391.331 2.972 20 0 GFADRO CSCCNC(=S)NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000752755413 655846374 /nfs/dbraw/zinc/84/63/74/655846374.db2.gz ZTWUNOJVEIQZBG-UHFFFAOYSA-N 1 0 387.018 2.679 20 0 GFADRO O=C(NC[C@@H]1CSCCS1)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000752951582 655848687 /nfs/dbraw/zinc/84/86/87/655848687.db2.gz FGLSJHFWINWZOA-OAHLLOKOSA-N 1 0 389.656 2.886 20 0 GFADRO C[C@H](NC(=O)NC[C@@]1([NH+](C)C)CCSC1)[C@@H](O)c1c(F)cccc1Cl ZINC000753017763 655849339 /nfs/dbraw/zinc/84/93/39/655849339.db2.gz BTQIHMUUIBCEMQ-CXMBCZLWSA-N 1 0 389.924 2.638 20 0 GFADRO CC(C)S(=O)(=O)CC[NH2+][C@H](CNC(=O)OC(C)(C)C)C1CCCCC1 ZINC000754183200 655864940 /nfs/dbraw/zinc/86/49/40/655864940.db2.gz LPXKHGHGGRLFQE-MRXNPFEDSA-N 1 0 376.563 2.873 20 0 GFADRO C[C@@H](CC(=O)Nc1cccnc1Cl)[NH2+]Cc1ccccc1S(C)(=O)=O ZINC000840863580 661196583 /nfs/dbraw/zinc/19/65/83/661196583.db2.gz OLJGQHRATZTPCB-LBPRGKRZSA-N 1 0 381.885 2.645 20 0 GFADRO CNS(=O)(=O)c1cc(NC(=O)C[NH2+][C@@H](C)c2ccc(C)s2)ccc1C ZINC000754669346 655871095 /nfs/dbraw/zinc/87/10/95/655871095.db2.gz HAUNMZUDVGSHST-ZDUSSCGKSA-N 1 0 381.523 2.562 20 0 GFADRO C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1[NH2+]CCC(C)(C)S(C)(=O)=O ZINC000840875792 661197580 /nfs/dbraw/zinc/19/75/80/661197580.db2.gz HVGNISQYNGIIJP-HUUCEWRRSA-N 1 0 376.563 2.825 20 0 GFADRO C[C@@H]([NH2+]CCCN1CCOC1=O)c1nc(-c2ccc(Br)cc2)no1 ZINC000755157269 655880525 /nfs/dbraw/zinc/88/05/25/655880525.db2.gz LMBUJKFYGQGERR-LLVKDONJSA-N 1 0 395.257 2.992 20 0 GFADRO Cc1ccc(N2N=C(Br)C[C@H]2C(=O)N[C@@H](C)CC[NH+](C)C)cc1 ZINC000756103845 655895031 /nfs/dbraw/zinc/89/50/31/655895031.db2.gz VKXPVDISUFJQHM-ZFWWWQNUSA-N 1 0 381.318 2.739 20 0 GFADRO COc1cc([C@H](C)[NH2+][C@H]2CCC[C@H](CO)C2)ccc1S(=O)(=O)C(F)F ZINC000840895044 661201958 /nfs/dbraw/zinc/20/19/58/661201958.db2.gz HFOGVPZGGIAUMR-OBJOEFQTSA-N 1 0 377.453 2.893 20 0 GFADRO CC[NH+](CC)CCOCCNC(=S)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000757938589 655919210 /nfs/dbraw/zinc/91/92/10/655919210.db2.gz STUYVDIJRKQXCV-UHFFFAOYSA-N 1 0 375.441 2.653 20 0 GFADRO Cc1cc(S(=O)(=O)N[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)cnc1Cl ZINC000757940978 655919332 /nfs/dbraw/zinc/91/93/32/655919332.db2.gz YBQCWOHHAKOFDS-GOEBONIOSA-N 1 0 379.913 2.985 20 0 GFADRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)c1cccnc1I ZINC000758107907 655923062 /nfs/dbraw/zinc/92/30/62/655923062.db2.gz DFZDCCBZPXSRIP-VXGBXAGGSA-N 1 0 387.265 2.679 20 0 GFADRO COCCNC(=O)C1CC[NH+](C[C@@H](O)c2ccc(Cl)cc2Cl)CC1 ZINC000759113269 655947760 /nfs/dbraw/zinc/94/77/60/655947760.db2.gz KGQZOMIYCZKPNI-MRXNPFEDSA-N 1 0 375.296 2.501 20 0 GFADRO C[C@H](CNC(=O)c1cnn(-c2ccccc2)c1Br)[NH+]1CCCC1 ZINC000760178776 655971348 /nfs/dbraw/zinc/97/13/48/655971348.db2.gz WFFWKBCMJHVCDU-CYBMUJFWSA-N 1 0 377.286 2.849 20 0 GFADRO Cc1cccc(N2CC[NH+](CCCCNC(=O)C3SCCS3)CC2)c1 ZINC000760211519 655972754 /nfs/dbraw/zinc/97/27/54/655972754.db2.gz MDYGKDBMQJWGHT-UHFFFAOYSA-N 1 0 379.595 2.820 20 0 GFADRO CCOc1nn(CN2CCC([NH+]3CCN(C(C)C)CC3)CC2)c(=S)s1 ZINC000760286914 655974336 /nfs/dbraw/zinc/97/43/36/655974336.db2.gz SEZWGJQPHASBQY-UHFFFAOYSA-N 1 0 385.603 2.521 20 0 GFADRO COCC[N@@H+]1CC[C@H](N2C(=O)[C@H](c3ccc(Cl)c(Cl)c3)N(C)C2=O)C1 ZINC000761255002 656005413 /nfs/dbraw/zinc/00/54/13/656005413.db2.gz KOJUHKSHDVGOCR-WFASDCNBSA-N 1 0 386.279 2.649 20 0 GFADRO COCC[N@@H+]1CC[C@@H](N2C(=O)[C@H](c3ccc(Cl)c(Cl)c3)N(C)C2=O)C1 ZINC000761254995 656005442 /nfs/dbraw/zinc/00/54/42/656005442.db2.gz KOJUHKSHDVGOCR-DOMZBBRYSA-N 1 0 386.279 2.649 20 0 GFADRO C[N@@H+]1CCC[C@@H](CN2C(=O)NC3(CCSCC3)C2=O)[C@H]1c1cccs1 ZINC000761442019 656015883 /nfs/dbraw/zinc/01/58/83/656015883.db2.gz FJHSLOGQCNCFFQ-ZFWWWQNUSA-N 1 0 379.551 2.949 20 0 GFADRO C[C@@H](C1=CC[N@H+](C)CC1)N1C(=O)N[C@@H](c2ccc(Br)cc2)C1=O ZINC000762315523 656038703 /nfs/dbraw/zinc/03/87/03/656038703.db2.gz JJSFBMDLAYSBTO-NHYWBVRUSA-N 1 0 378.270 2.692 20 0 GFADRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)N[C@@H]2CC[C@H]3SCCS[C@@H]23)C1 ZINC000762621917 656051859 /nfs/dbraw/zinc/05/18/59/656051859.db2.gz ANZRZNQPRUYZGV-VQHPVUNQSA-N 1 0 387.615 2.508 20 0 GFADRO Cc1sc(Cl)nc1C(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000762863451 656061275 /nfs/dbraw/zinc/06/12/75/656061275.db2.gz GDGKDRZZTIAIKH-HNNXBMFYSA-N 1 0 378.929 2.823 20 0 GFADRO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)N[C@@H]1CC[C@@H]2SCCS[C@@H]12 ZINC000763006678 656068270 /nfs/dbraw/zinc/06/82/70/656068270.db2.gz ANCQQDQBSTYIDX-MHORFTMASA-N 1 0 379.595 2.838 20 0 GFADRO COC(=O)/C=C1/SCC(=O)N1CCC[N@H+](C)Cc1ccc(F)c(Cl)c1 ZINC000763835766 656094349 /nfs/dbraw/zinc/09/43/49/656094349.db2.gz FUXMJAOQDOBHTB-CXUHLZMHSA-N 1 0 386.876 2.891 20 0 GFADRO Cc1cc(S(=O)(=O)N[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)cnc1Cl ZINC000765174970 656135536 /nfs/dbraw/zinc/13/55/36/656135536.db2.gz JXCNOSXOGQBCGP-YOEHRIQHSA-N 1 0 379.913 2.842 20 0 GFADRO O=C(Nc1cccc(C2SCCS2)c1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000841020082 661228797 /nfs/dbraw/zinc/22/87/97/661228797.db2.gz JGHPXHUVBIVWGY-MRXNPFEDSA-N 1 0 378.567 2.677 20 0 GFADRO COC(=O)N1CCC[C@@H]([NH2+][C@@H](C)c2ccc(S(=O)(=O)C(F)F)cc2)C1 ZINC000765628520 656146266 /nfs/dbraw/zinc/14/62/66/656146266.db2.gz DHFJAVJMKRSPSO-WCQYABFASA-N 1 0 376.425 2.564 20 0 GFADRO CC[S@](=O)CC[NH2+][C@H]1CCCOc2ccc(I)cc21 ZINC000765942851 656155906 /nfs/dbraw/zinc/15/59/06/656155906.db2.gz KLJCUIINPYLWST-DJJJIMSYSA-N 1 0 393.290 2.863 20 0 GFADRO Fc1cc(CN2CC[NH+](CCC3OCCCO3)CC2)ccc1Br ZINC000766139582 656162966 /nfs/dbraw/zinc/16/29/66/656162966.db2.gz SHIGPFRKXCDSJA-UHFFFAOYSA-N 1 0 387.293 2.859 20 0 GFADRO COc1cc([C@H](C)N[C@@H]2CC[N@H+](C)[C@H](C)C2)ccc1S(=O)(=O)C(F)F ZINC000766166802 656163451 /nfs/dbraw/zinc/16/34/51/656163451.db2.gz UETOMYAMDVRFEK-MBNYWOFBSA-N 1 0 376.469 2.825 20 0 GFADRO Cc1cc(Br)cc(C(=O)OCC(=O)NC2CC[NH+](C3CC3)CC2)c1 ZINC000766796527 656183785 /nfs/dbraw/zinc/18/37/85/656183785.db2.gz LGWUWGTWHXITOO-UHFFFAOYSA-N 1 0 395.297 2.657 20 0 GFADRO O=C(c1cccc(Br)n1)N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000767186235 656195905 /nfs/dbraw/zinc/19/59/05/656195905.db2.gz JMTFLTYSSNYNSK-AWEZNQCLSA-N 1 0 382.302 2.561 20 0 GFADRO [NH3+]CC1(NC(=O)Nc2cnc(Br)c(Br)c2)CCCC1 ZINC000841141690 661236929 /nfs/dbraw/zinc/23/69/29/661236929.db2.gz HMYFAFMUFWBTGF-UHFFFAOYSA-N 1 0 392.095 3.000 20 0 GFADRO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)Nc2ccccc2SC(F)(F)F)C1 ZINC000841145148 661238049 /nfs/dbraw/zinc/23/80/49/661238049.db2.gz IETAACAAFMVSDA-NSHDSACASA-N 1 0 375.416 2.695 20 0 GFADRO COc1cc(S(=O)(=O)NCC2CC[NH+](CCC(C)C)CC2)cnc1Cl ZINC000767812142 656220612 /nfs/dbraw/zinc/22/06/12/656220612.db2.gz XLHYJNIANFONHN-UHFFFAOYSA-N 1 0 389.949 2.780 20 0 GFADRO Cc1nc(Cc2nn(CN3CCC[C@H]4C[N@H+](C)CC[C@@H]43)c(=S)o2)cs1 ZINC000768501822 656240515 /nfs/dbraw/zinc/24/05/15/656240515.db2.gz XAJWHLHIYICJLU-ZFWWWQNUSA-N 1 0 379.555 2.935 20 0 GFADRO O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1cc(=O)c2cc(Br)ccc2o1 ZINC000841186088 661242446 /nfs/dbraw/zinc/24/24/46/661242446.db2.gz AVHVSXSSHXPFLM-STQMWFEESA-N 1 0 391.265 2.912 20 0 GFADRO O=S(=O)(/C=C/c1cccc(Cl)c1)NCC1([NH+]2CCCC2)CCOCC1 ZINC000768835787 656254532 /nfs/dbraw/zinc/25/45/32/656254532.db2.gz OZLCCUNFDDBWNP-AWNIVKPZSA-N 1 0 384.929 2.875 20 0 GFADRO O=S(=O)(/C=C\c1cccc(Cl)c1)NCC1([NH+]2CCCC2)CCOCC1 ZINC000768835789 656254642 /nfs/dbraw/zinc/25/46/42/656254642.db2.gz OZLCCUNFDDBWNP-MLPAPPSSSA-N 1 0 384.929 2.875 20 0 GFADRO Cc1cc(NC(=O)C(=O)N(C)C2CCC([NH3+])CC2)c(F)cc1Br ZINC000841188113 661242792 /nfs/dbraw/zinc/24/27/92/661242792.db2.gz DFVPMCLZMRBTHF-UHFFFAOYSA-N 1 0 386.265 2.563 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)N(C)C1CCC([NH3+])CC1 ZINC000841188031 661242801 /nfs/dbraw/zinc/24/28/01/661242801.db2.gz AOMSMCVDSGWBJP-UHFFFAOYSA-N 1 0 382.302 2.733 20 0 GFADRO COC(=O)/C=C1/SCC(=O)N1CCC[N@H+](C)Cc1cc(Cl)ccc1F ZINC000769854691 656295247 /nfs/dbraw/zinc/29/52/47/656295247.db2.gz NJOCHPMONPFMDK-CXUHLZMHSA-N 1 0 386.876 2.891 20 0 GFADRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)c2nccn3c(Br)cnc23)C1 ZINC000770071520 656304979 /nfs/dbraw/zinc/30/49/79/656304979.db2.gz UZOWDXOQHYSMNB-ZDUSSCGKSA-N 1 0 394.317 2.590 20 0 GFADRO C[C@@H](CCCC[NH3+])NC(=O)C(=O)Nc1cc2ccccc2nc1Br ZINC000841247809 661248721 /nfs/dbraw/zinc/24/87/21/661248721.db2.gz BUCFJJYALGSFHP-NSHDSACASA-N 1 0 393.285 2.570 20 0 GFADRO O=C(NC[C@H](O)c1cc(Cl)cc(Cl)c1)Nc1cnc2c(c1)C[NH2+]CC2 ZINC000841321241 661251944 /nfs/dbraw/zinc/25/19/44/661251944.db2.gz DOJLZUGWNQZZDK-INIZCTEOSA-N 1 0 381.263 2.889 20 0 GFADRO [NH3+]CC[C@@H](NC(=O)NCC[C@@H](O)c1ccc(Cl)c(Cl)c1)C(F)(F)F ZINC000841333664 661252431 /nfs/dbraw/zinc/25/24/31/661252431.db2.gz OXNVPEYOSXMILE-VXGBXAGGSA-N 1 0 388.217 2.996 20 0 GFADRO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)C1SCCCS1 ZINC000841324174 661252476 /nfs/dbraw/zinc/25/24/76/661252476.db2.gz AHTOEXOBIZMICL-IAGOWNOFSA-N 1 0 380.579 2.836 20 0 GFADRO O=Cc1ccc(OCC(=O)NCC2CC[NH+](C3CC3)CC2)c(Br)c1 ZINC000772907145 656393023 /nfs/dbraw/zinc/39/30/23/656393023.db2.gz BJTJRIQJJJBVMA-UHFFFAOYSA-N 1 0 395.297 2.631 20 0 GFADRO C[C@@H](CNS(=O)(=O)c1ccc2nc(Cl)cnc2c1)[NH+]1CCC(C)CC1 ZINC000772926365 656393834 /nfs/dbraw/zinc/39/38/34/656393834.db2.gz DGTBCAVDGFPDQT-ZDUSSCGKSA-N 1 0 382.917 2.682 20 0 GFADRO C[C@H]1CCC[C@H](C)[NH+]1CCNS(=O)(=O)c1ccc2nc(Cl)cnc2c1 ZINC000772938379 656394323 /nfs/dbraw/zinc/39/43/23/656394323.db2.gz SEUUKBBBBHWMTK-STQMWFEESA-N 1 0 382.917 2.824 20 0 GFADRO C[C@H](CNC(=O)c1cc(=O)c2cc(Br)ccc2o1)[NH+]1CCCC1 ZINC000841391428 661258719 /nfs/dbraw/zinc/25/87/19/661258719.db2.gz QVGLBUOOMVTGLM-LLVKDONJSA-N 1 0 379.254 2.770 20 0 GFADRO CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)c1cc[nH]c(=O)c1Br ZINC000773997732 656481745 /nfs/dbraw/zinc/48/17/45/656481745.db2.gz MCXHKAFHVUXNRQ-UHFFFAOYSA-N 1 0 378.270 2.884 20 0 GFADRO C[C@@H](NC(=O)C(=O)NC[C@H](C)[NH+]1CCCCC1)c1ccc(Br)cc1 ZINC000774891288 656567044 /nfs/dbraw/zinc/56/70/44/656567044.db2.gz VCYKVNJHKKPFOR-UONOGXRCSA-N 1 0 396.329 2.617 20 0 GFADRO Cc1cc(Br)cc(C[NH2+][C@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)c1 ZINC000775015632 656586832 /nfs/dbraw/zinc/58/68/32/656586832.db2.gz JEVZBKGCVUPDPE-HOTGVXAUSA-N 1 0 388.327 2.583 20 0 GFADRO Cc1cc(Br)cc(C[NH2+][C@@H]2CCO[C@]3(CCS(=O)(=O)C3)C2)c1 ZINC000775015636 656586972 /nfs/dbraw/zinc/58/69/72/656586972.db2.gz JEVZBKGCVUPDPE-HZPDHXFCSA-N 1 0 388.327 2.583 20 0 GFADRO OCC1([NH2+]C[C@@H](O)c2ccc(F)c(Br)c2)Cc2ccccc2C1 ZINC000775600696 656654308 /nfs/dbraw/zinc/65/43/08/656654308.db2.gz KWPQSFWMYZYABN-QGZVFWFLSA-N 1 0 380.257 2.741 20 0 GFADRO CS[C@@H]1CN(C[C@H](O)c2ccc(F)c(Br)c2)C[C@@H]1[NH+](C)C ZINC000775646467 656658922 /nfs/dbraw/zinc/65/89/22/656658922.db2.gz HETJFWARJTVGFY-SOUVJXGZSA-N 1 0 377.323 2.599 20 0 GFADRO COC(=O)N1CCC[C@@H]([C@@H](C)[NH2+]CCS(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000775812616 656682393 /nfs/dbraw/zinc/68/23/93/656682393.db2.gz OOMQRNJLAVFLFK-ZIAGYGMSSA-N 1 0 388.917 2.570 20 0 GFADRO Cc1ccc(N2N=C(Br)C[C@H]2C(=O)NCC2=CC[N@H+](C)CC2)cc1 ZINC000775961575 656696223 /nfs/dbraw/zinc/69/62/23/656696223.db2.gz QQCPSJLCRVKAQK-INIZCTEOSA-N 1 0 391.313 2.660 20 0 GFADRO C[N@H+]1CC=C(CNC(=O)Nc2cc3c(cc2Br)OCCO3)CC1 ZINC000775977713 656700216 /nfs/dbraw/zinc/70/02/16/656700216.db2.gz URBYCSFIIFROKQ-UHFFFAOYSA-N 1 0 382.258 2.604 20 0 GFADRO CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+]C[C@@H](OC)C(F)(F)F)cc1 ZINC000777006900 656803467 /nfs/dbraw/zinc/80/34/67/656803467.db2.gz KBNHDGAPURYSPI-SWLSCSKDSA-N 1 0 382.448 2.945 20 0 GFADRO Cc1ncsc1/C=C/C(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000777239102 656815405 /nfs/dbraw/zinc/81/54/05/656815405.db2.gz GAVFFPYMLGEEEX-ONEGZZNKSA-N 1 0 377.432 2.578 20 0 GFADRO O=c1ccn(C[NH+]2CCC(O)(C(F)F)CC2)c2c(Br)cccc12 ZINC000777572730 656828687 /nfs/dbraw/zinc/82/86/87/656828687.db2.gz AFIRBRJEUHPOAI-UHFFFAOYSA-N 1 0 387.224 2.814 20 0 GFADRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2scnc2Br)[C@H](C)C1 ZINC000777863258 656839799 /nfs/dbraw/zinc/83/97/99/656839799.db2.gz XTLQZCKOSPKXBN-VXGBXAGGSA-N 1 0 390.347 2.772 20 0 GFADRO C[C@H]([NH2+]C[C@@](O)(c1ccc(Cl)cc1)C(F)(F)F)C1CCS(=O)(=O)CC1 ZINC000779045034 656898084 /nfs/dbraw/zinc/89/80/84/656898084.db2.gz GOGQTQWWVQQXDZ-XHDPSFHLSA-N 1 0 399.862 2.893 20 0 GFADRO CC[C@H]([NH2+]CC1CCN(S(=O)(=O)C(F)(F)F)CC1)c1ccc(F)cn1 ZINC000779058709 656898298 /nfs/dbraw/zinc/89/82/98/656898298.db2.gz CNYBCKJSPAGZEG-ZDUSSCGKSA-N 1 0 383.411 2.823 20 0 GFADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)c1cc(C(F)(F)F)cnc1Cl ZINC000779844505 656948867 /nfs/dbraw/zinc/94/88/67/656948867.db2.gz LGZOBSZUJCEUOU-NSHDSACASA-N 1 0 378.826 2.510 20 0 GFADRO C[C@@H](CNS(=O)(=O)c1ccc(F)c(Br)c1)[NH+]1CCCCC1 ZINC000780715345 657024861 /nfs/dbraw/zinc/02/48/61/657024861.db2.gz JKHDDPOHOIQOEG-NSHDSACASA-N 1 0 379.295 2.741 20 0 GFADRO Cc1cccc(NCCNC(=O)c2cnc3ncc(Br)cc3c2)n1 ZINC000780810603 657030870 /nfs/dbraw/zinc/03/08/70/657030870.db2.gz OYPLXTGSALCQTD-UHFFFAOYSA-N 1 0 386.253 2.938 20 0 GFADRO Cn1nc(C(F)(F)F)c(CN2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)c1Cl ZINC000782484085 657149397 /nfs/dbraw/zinc/14/93/97/657149397.db2.gz CFAUBDDBFRTJMV-KGYLQXTDSA-N 1 0 380.842 2.776 20 0 GFADRO CC[NH+]1CCN([C@H](C)CNc2ccc(-c3nnc(Br)o3)cc2)CC1 ZINC000784571315 657317155 /nfs/dbraw/zinc/31/71/55/657317155.db2.gz MMCCFNKFXVVQAB-CYBMUJFWSA-N 1 0 394.317 2.937 20 0 GFADRO Cn1nc(Br)cc1C[NH2+][C@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000785509078 657370368 /nfs/dbraw/zinc/37/03/68/657370368.db2.gz LPTPRZSWVNOOEM-GOEBONIOSA-N 1 0 385.256 2.996 20 0 GFADRO C[NH+](C)CCc1ccc(CNC(=O)N[C@@H]2CC[C@@H]3SCCS[C@@H]23)cc1 ZINC000786137624 657409420 /nfs/dbraw/zinc/40/94/20/657409420.db2.gz ZWJAYORMLZSAOP-SQNIBIBYSA-N 1 0 379.595 2.970 20 0 GFADRO O=S1(=O)CCCN1CCC[NH2+]C1CC(c2ccc(Br)cc2)C1 ZINC000786848979 657473972 /nfs/dbraw/zinc/47/39/72/657473972.db2.gz PXGANXDZESWHLB-UHFFFAOYSA-N 1 0 387.343 2.710 20 0 GFADRO CC[NH+](CC)[C@H](CNC(=O)C(=O)N[C@H]1CC[C@@H](SC)C1)c1ccsc1 ZINC000787614465 657577020 /nfs/dbraw/zinc/57/70/20/657577020.db2.gz DUPVCMRMSCFDNU-ARFHVFGLSA-N 1 0 383.583 2.648 20 0 GFADRO COc1cccc([C@@H](CNC(=O)c2cc(Br)n[nH]2)[NH+]2CCCC2)c1 ZINC000788261694 657685175 /nfs/dbraw/zinc/68/51/75/657685175.db2.gz PJZPTXZMYFUECI-OAHLLOKOSA-N 1 0 393.285 2.748 20 0 GFADRO CSC1(C[NH2+]Cc2c(C)nn([C@@H]3CCS(=O)(=O)C3)c2Cl)CCC1 ZINC000788524820 657738014 /nfs/dbraw/zinc/73/80/14/657738014.db2.gz VNBHWXQHGBXGEL-GFCCVEGCSA-N 1 0 377.963 2.580 20 0 GFADRO CCOC(=O)[C@@H]1[C@@H]([NH2+]CCSC(F)(F)F)CCN1C(=O)OC(C)(C)C ZINC000788558193 657745316 /nfs/dbraw/zinc/74/53/16/657745316.db2.gz TXIYLUFRUBNKGR-QWRGUYRKSA-N 1 0 386.436 2.770 20 0 GFADRO Cc1ccc(S(=O)(=O)N(CCc2ccccc2)CC[NH+](C)C)c(Cl)n1 ZINC000788597016 657750063 /nfs/dbraw/zinc/75/00/63/657750063.db2.gz MEUQLEZMQWRHPG-UHFFFAOYSA-N 1 0 381.929 2.838 20 0 GFADRO COC(=O)c1c2cnn(C[N@H+](C)C[C@H]3CCOC3)c2ccc1Br ZINC000790443699 657980440 /nfs/dbraw/zinc/98/04/40/657980440.db2.gz OBOQBUIIRPHNDD-LLVKDONJSA-N 1 0 382.258 2.511 20 0 GFADRO COC(=O)c1cc(S(=O)(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)ccc1Cl ZINC000790451637 657983635 /nfs/dbraw/zinc/98/36/35/657983635.db2.gz TZVBHRRGEWJUNW-HNNXBMFYSA-N 1 0 388.917 2.525 20 0 GFADRO COC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2CCN(c3ccc(Br)c(C)c3)C2=O)C1 ZINC000790556055 657999022 /nfs/dbraw/zinc/99/90/22/657999022.db2.gz WRFVKDRRUOTMNI-WWGRRREGSA-N 1 0 395.297 2.794 20 0 GFADRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)c1cccnc1I ZINC000791063053 658057478 /nfs/dbraw/zinc/05/74/78/658057478.db2.gz VGGUMBNXAGGOSE-LBPRGKRZSA-N 1 0 387.265 2.536 20 0 GFADRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)c2nc(Br)ccc2F)C1 ZINC000791620290 658142451 /nfs/dbraw/zinc/14/24/51/658142451.db2.gz OUQGHHHWKFMGQS-GFCCVEGCSA-N 1 0 388.281 2.556 20 0 GFADRO Cn1ncc(C(=O)OCCCOCCC[NH+]2CCCCC2)c1Br ZINC000791810180 658183052 /nfs/dbraw/zinc/18/30/52/658183052.db2.gz LURPDDNJOPRXOZ-UHFFFAOYSA-N 1 0 388.306 2.622 20 0 GFADRO Cc1nc(SC(F)F)sc1CC(=O)NCCCC[N@@H+]1CCC[C@@H]1CO ZINC000793687126 658425763 /nfs/dbraw/zinc/42/57/63/658425763.db2.gz MORHBEJQJGOZKE-GFCCVEGCSA-N 1 0 393.525 2.662 20 0 GFADRO Cc1ccc([C@@H](C)NC(=O)C(=O)N(CC[NH+](C)C)Cc2cccs2)s1 ZINC000793850912 658446723 /nfs/dbraw/zinc/44/67/23/658446723.db2.gz OJCWQILYWNAFBB-CQSZACIVSA-N 1 0 379.551 2.886 20 0 GFADRO COc1c[nH+]ccc1N1CCN(C(=O)c2nc(Br)ccc2C)CC1 ZINC000794343565 658520384 /nfs/dbraw/zinc/52/03/84/658520384.db2.gz JMTWVIATPDUWEA-UHFFFAOYSA-N 1 0 391.269 2.519 20 0 GFADRO Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)[NH2+][C@@H]1CC[C@H]2SCCS[C@H]12 ZINC000794816529 658618313 /nfs/dbraw/zinc/61/83/13/658618313.db2.gz NQOUFBLRJGAGQV-DPAVQSFQSA-N 1 0 386.608 2.981 20 0 GFADRO C[C@H](CCO)[NH2+]C[C@@H]1CCCN1Cc1ccc(I)cc1 ZINC000794842646 658623222 /nfs/dbraw/zinc/62/32/22/658623222.db2.gz RSDQEONEZCJJDC-CJNGLKHVSA-N 1 0 388.293 2.616 20 0 GFADRO CCC[N@H+](C)[C@@H](CNC(=S)NCC(=O)NC(C)C)c1ccc(Cl)cc1 ZINC000795093153 658669544 /nfs/dbraw/zinc/66/95/44/658669544.db2.gz YIIFHHGVYLSMCN-INIZCTEOSA-N 1 0 384.977 2.712 20 0 GFADRO C[C@@H]1CN(C(=O)C[NH2+][C@@H]2c3cccc(Br)c3CC2(C)C)CCO1 ZINC000795122954 658682041 /nfs/dbraw/zinc/68/20/41/658682041.db2.gz MTCQBDDCDUNUOX-SJKOYZFVSA-N 1 0 381.314 2.909 20 0 GFADRO CC1(C)Cc2c(cccc2Br)[C@@H]1[NH2+]CCCOC(=O)NC(N)=O ZINC000795122917 658682493 /nfs/dbraw/zinc/68/24/93/658682493.db2.gz MIRDQBMIQCUJGX-ZDUSSCGKSA-N 1 0 384.274 2.857 20 0 GFADRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1Cn1nnn(-c2ccc(Cl)cc2)c1=S ZINC000795709821 658843901 /nfs/dbraw/zinc/84/39/01/658843901.db2.gz ZWPRCLCIVBZYKL-XJKSGUPXSA-N 1 0 378.933 2.968 20 0 GFADRO COC(=O)[C@]1(C(F)(F)F)CC[N@H+](C[C@@H](O)c2ccc(Br)cc2)C1 ZINC000796290619 658911144 /nfs/dbraw/zinc/91/11/44/658911144.db2.gz BCJSNOQZXSWBGC-OCCSQVGLSA-N 1 0 396.203 2.910 20 0 GFADRO COC(=O)C[C@](C)([NH2+]CC[C@H]1CCOC1=O)c1ccc(Br)cc1 ZINC000796498813 658920665 /nfs/dbraw/zinc/92/06/65/658920665.db2.gz YDTBRCNCNVCAAN-SJCJKPOMSA-N 1 0 384.270 2.770 20 0 GFADRO CC(C)([NH2+]C[C@@H](O)COc1cc(Cl)ccc1Cl)C(=O)N1CCCC1 ZINC000796581998 658925211 /nfs/dbraw/zinc/92/52/11/658925211.db2.gz LLUIAJWUTPKSNE-CYBMUJFWSA-N 1 0 375.296 2.724 20 0 GFADRO CC(C)(C)OC(=O)N1CCO[C@H]([C@H]([NH2+]C[C@H]2CSCCS2)C2CC2)C1 ZINC000796793314 658939551 /nfs/dbraw/zinc/93/95/51/658939551.db2.gz NDKOSVHZTIOBMG-HRCADAONSA-N 1 0 388.599 2.839 20 0 GFADRO C[C@H]([NH2+]CCn1cc(Br)cn1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000797115492 658982410 /nfs/dbraw/zinc/98/24/10/658982410.db2.gz DRINSTDLMBNOOY-MAUKXSAKSA-N 1 0 393.329 2.525 20 0 GFADRO O=S(=O)(NC1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccc(Cl)cc1Cl ZINC000797446767 659023298 /nfs/dbraw/zinc/02/32/98/659023298.db2.gz COKIOOLYBARPSN-AWEZNQCLSA-N 1 0 393.336 2.915 20 0 GFADRO CC(C)N1CCO[C@@H](C(=[NH2+])NOCc2c(F)ccc(Br)c2F)C1 ZINC000797846350 659059715 /nfs/dbraw/zinc/05/97/15/659059715.db2.gz XIROBVANIVPCQD-CYBMUJFWSA-N 1 0 392.244 2.835 20 0 GFADRO CCc1ncc(S(=O)(=O)NC[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)s1 ZINC000798458705 659108273 /nfs/dbraw/zinc/10/82/73/659108273.db2.gz ROEMIQJVYJQPJM-GOSISDBHSA-N 1 0 379.551 2.896 20 0 GFADRO Cc1nc(S(=O)(=O)NC[C@]2(C)CC[N@H+](Cc3ccccc3)C2)sc1C ZINC000798458756 659108354 /nfs/dbraw/zinc/10/83/54/659108354.db2.gz SLNGGMPOAJHXMO-SFHVURJKSA-N 1 0 379.551 2.950 20 0 GFADRO CC(C)(C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccccc1Br ZINC000798939699 659157924 /nfs/dbraw/zinc/15/79/24/659157924.db2.gz SVWOSKCEAUBLIO-KBPBESRZSA-N 1 0 381.314 2.706 20 0 GFADRO CON(C)C(=O)CC[NH+]1CCC(C(=O)Nc2ccccc2Br)CC1 ZINC000799133943 659167567 /nfs/dbraw/zinc/16/75/67/659167567.db2.gz ZPPQJLKKQNCMKB-UHFFFAOYSA-N 1 0 398.301 2.510 20 0 GFADRO COCCNc1nn(CN2CCC[C@@H]2[C@@H]2C[C@H](C)CC[C@@H]2O)c(=S)s1 ZINC000799157183 659169103 /nfs/dbraw/zinc/16/91/03/659169103.db2.gz QCIWBFFUMGCMCV-BARDWOONSA-N 1 0 386.587 2.951 20 0 GFADRO COc1ccc(Br)c(CS(=O)(=O)N(C)CCCC[NH+](C)C)c1 ZINC000800073864 659264364 /nfs/dbraw/zinc/26/43/64/659264364.db2.gz CYRRDEMRCAAWEL-UHFFFAOYSA-N 1 0 393.347 2.561 20 0 GFADRO CCCSCC(=O)OCC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000801323902 659389458 /nfs/dbraw/zinc/38/94/58/659389458.db2.gz GGGMWHYPOIBRAD-UHFFFAOYSA-N 1 0 382.551 2.860 20 0 GFADRO C[C@@H](CNC(=O)NC[C@@H](O)c1cccc(Br)c1)[N@@H+]1CCC[C@H](C)C1 ZINC000801750065 659422111 /nfs/dbraw/zinc/42/21/11/659422111.db2.gz KOCSHAOYJQRVFL-GRDNDAEWSA-N 1 0 398.345 2.902 20 0 GFADRO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)NC[C@@H](O)c1cccc(Br)c1 ZINC000801766969 659425297 /nfs/dbraw/zinc/42/52/97/659425297.db2.gz ZAVYGUMLVNLGRV-HZPDHXFCSA-N 1 0 398.345 2.902 20 0 GFADRO CC(C)[N@@H+]1CCO[C@H](COC(=O)Cc2c(F)ccc(Br)c2F)C1 ZINC000802133426 659447589 /nfs/dbraw/zinc/44/75/89/659447589.db2.gz UMACCIMETIZCJY-NSHDSACASA-N 1 0 392.240 2.922 20 0 GFADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)NC[C@@H](O)c1cccc(Br)c1 ZINC000802241198 659460269 /nfs/dbraw/zinc/46/02/69/659460269.db2.gz KJQKODFPIUGKSL-JKSUJKDBSA-N 1 0 384.318 2.656 20 0 GFADRO C[N@@H+]1CC[C@H]2[C@H](CCCN2CN2Cc3ccc(Br)cc3C2=O)C1 ZINC000802732536 659499915 /nfs/dbraw/zinc/49/99/15/659499915.db2.gz FVIMURLOFMIOPG-PBHICJAKSA-N 1 0 378.314 2.779 20 0 GFADRO O=C1c2cc(Br)ccc2CN1CN1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000802733493 659500399 /nfs/dbraw/zinc/50/03/99/659500399.db2.gz WDBASKRCYXKNMA-AWEZNQCLSA-N 1 0 378.314 2.780 20 0 GFADRO CC(C)[C@@H](C(=O)OCc1ccc(Br)cc1N1CCOCC1)[NH+](C)C ZINC000802802107 659509839 /nfs/dbraw/zinc/50/98/39/659509839.db2.gz SFYSVJSUOQLQKK-KRWDZBQOSA-N 1 0 399.329 2.915 20 0 GFADRO CNC(=O)OC[C@H]1CCCC[N@@H+]1C[C@@H](O)COc1cc(Cl)ccc1Cl ZINC000805827647 659808074 /nfs/dbraw/zinc/80/80/74/659808074.db2.gz LSQLENZAGOBIHI-ZIAGYGMSSA-N 1 0 391.295 2.944 20 0 GFADRO CCC[N@@H+]1CCC[C@H]1CNC(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000807549358 659858824 /nfs/dbraw/zinc/85/88/24/659858824.db2.gz WPJPKPZXIUHLAQ-ZDUSSCGKSA-N 1 0 375.441 2.679 20 0 GFADRO CCCN(CC[NH+]1CCCC1)C(=O)c1cccnc1I ZINC000807689773 659862411 /nfs/dbraw/zinc/86/24/11/659862411.db2.gz KARONVZUNOQDNQ-UHFFFAOYSA-N 1 0 387.265 2.634 20 0 GFADRO O=C(/C=C/c1cc(C(F)(F)F)ccc1Cl)N[C@@H](CO)C[NH+]1CCCC1 ZINC000808221489 659882781 /nfs/dbraw/zinc/88/27/81/659882781.db2.gz QWUZXVVPUHINLD-BOTMBNHJSA-N 1 0 376.806 2.945 20 0 GFADRO CC(C)[C@@H](C[NH2+]Cc1nc2ccccn2c1Br)N1CCOCC1 ZINC000809604263 659933558 /nfs/dbraw/zinc/93/35/58/659933558.db2.gz QCXLNPPGYIZZFV-OAHLLOKOSA-N 1 0 381.318 2.543 20 0 GFADRO CC(C)(C)OC(=O)NC1CC([NH2+]Cc2ccc(S(C)(=O)=O)c(Cl)c2)C1 ZINC000809653767 659935486 /nfs/dbraw/zinc/93/54/86/659935486.db2.gz GVAVBZMDLPYHHV-UHFFFAOYSA-N 1 0 388.917 2.889 20 0 GFADRO CC[NH+](CC)CCS(=O)(=O)N[C@H](C)[C@H](O)c1c(Cl)cccc1Cl ZINC000810055290 659958102 /nfs/dbraw/zinc/95/81/02/659958102.db2.gz JVHRDRZPNMXYHM-ABAIWWIYSA-N 1 0 383.341 2.677 20 0 GFADRO COC(=O)c1sc(S(=O)(=O)N[C@H](C)C[N@H+](C)C(C)C)c(C)c1Cl ZINC000810091311 659961016 /nfs/dbraw/zinc/96/10/16/659961016.db2.gz PBHCQKPCDUVCOM-SECBINFHSA-N 1 0 382.935 2.504 20 0 GFADRO CCC[N@H+](CC)C[C@H](C)NS(=O)(=O)c1cc(C(=O)OC)c(Cl)cc1F ZINC000810120993 659963263 /nfs/dbraw/zinc/96/32/63/659963263.db2.gz REBSUGDOHNKDRG-NSHDSACASA-N 1 0 394.896 2.664 20 0 GFADRO O[C@]1(C[NH2+]Cc2cn(-c3ccccc3Br)nn2)CCc2ccccc21 ZINC000810150549 659965067 /nfs/dbraw/zinc/96/50/67/659965067.db2.gz HALUJWRUBXOZOZ-IBGZPJMESA-N 1 0 399.292 2.953 20 0 GFADRO O=S(=O)(C(F)F)N1CCC(C[NH2+]CCc2ccc(F)cc2Cl)CC1 ZINC000811479569 660009869 /nfs/dbraw/zinc/00/98/69/660009869.db2.gz IQJFYJZKKUJSMM-UHFFFAOYSA-N 1 0 384.851 2.876 20 0 GFADRO CC(C)(C)OC(=O)NC[C@](C)(O)C[NH2+]Cc1cc(Br)cs1 ZINC000811811396 660015853 /nfs/dbraw/zinc/01/58/53/660015853.db2.gz BNKQKUMYXHAVPG-CQSZACIVSA-N 1 0 379.320 2.876 20 0 GFADRO C[C@@H]([NH2+]CC[C@@H]1CCOC1=O)c1ccc(Br)cc1OCCCO ZINC000812885311 660036146 /nfs/dbraw/zinc/03/61/46/660036146.db2.gz OUGIIEVTIIWRJI-CHWSQXEVSA-N 1 0 386.286 2.814 20 0 GFADRO Cc1cnc(Br)c(NC(=O)NC(C)(C)CC[NH+]2CCN(C)CC2)c1 ZINC000812999559 660039288 /nfs/dbraw/zinc/03/92/88/660039288.db2.gz UAIZWYOTPZPJAP-UHFFFAOYSA-N 1 0 398.349 2.690 20 0 GFADRO CC[NH+](CC)CCOCCNC(=O)c1cc(Cl)ncc1Br ZINC000813517716 660056072 /nfs/dbraw/zinc/05/60/72/660056072.db2.gz YDFCLJNBRGXSFJ-UHFFFAOYSA-N 1 0 378.698 2.586 20 0 GFADRO Cc1ccc(-n2nc(Br)cc2C(=O)NC[C@H](C)C[NH+](C)C)cc1 ZINC000814138213 660073449 /nfs/dbraw/zinc/07/34/49/660073449.db2.gz NOALICYWMOWMPK-ZDUSSCGKSA-N 1 0 379.302 2.871 20 0 GFADRO O=S(=O)(c1ccc(Cl)c2nonc21)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000814382406 660078590 /nfs/dbraw/zinc/07/85/90/660078590.db2.gz MQJKJZUMUTWJOG-GFCCVEGCSA-N 1 0 384.889 2.515 20 0 GFADRO O=S(=O)(c1ccc(Cl)c2nonc21)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000814384665 660078796 /nfs/dbraw/zinc/07/87/96/660078796.db2.gz UYAONQOECZBDNC-GFCCVEGCSA-N 1 0 384.889 2.515 20 0 GFADRO C[C@H]1CN(C(=O)C[N@@H+]2CC[C@@H](Cc3ccc(Br)cc3)C2)CCO1 ZINC000814677149 660093570 /nfs/dbraw/zinc/09/35/70/660093570.db2.gz APKBQGFPLGWXHA-HOCLYGCPSA-N 1 0 381.314 2.561 20 0 GFADRO C[C@H]([NH2+]CC(=O)Nc1cccnc1Cl)C1CCN(CC(F)(F)F)CC1 ZINC000815110236 660112875 /nfs/dbraw/zinc/11/28/75/660112875.db2.gz GWUBOFXGGAQGSX-NSHDSACASA-N 1 0 378.826 2.926 20 0 GFADRO Cn1ncc(C[NH2+]C[C@@H](CO)Cc2ccc(OC(F)(F)F)cc2)c1Cl ZINC000815129705 660113840 /nfs/dbraw/zinc/11/38/40/660113840.db2.gz WOXQDUCXBYUXBT-LBPRGKRZSA-N 1 0 377.794 2.913 20 0 GFADRO O=C(c1cn2c(Br)cnc2s1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000815514947 660124648 /nfs/dbraw/zinc/12/46/48/660124648.db2.gz LDYJRCDVKJZZBW-LLVKDONJSA-N 1 0 383.315 2.859 20 0 GFADRO O=C(Cc1cscc1Br)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000815592431 660126063 /nfs/dbraw/zinc/12/60/63/660126063.db2.gz ILPDEAWKLGEBMZ-CQSZACIVSA-N 1 0 387.343 2.813 20 0 GFADRO Cn1nnc(Br)c1COC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000816144521 660145675 /nfs/dbraw/zinc/14/56/75/660145675.db2.gz BZWVQVRFKGYQTN-UHFFFAOYSA-N 1 0 379.258 2.530 20 0 GFADRO Cn1c(=O)oc2cc(C[NH+]3CCC(n4cc(Br)cn4)CC3)ccc21 ZINC000816509010 660159268 /nfs/dbraw/zinc/15/92/68/660159268.db2.gz BBJFQTSKRZBRPG-UHFFFAOYSA-N 1 0 391.269 2.928 20 0 GFADRO Cn1ncc(C(=O)NC[C@H](C[NH+](C)C)c2ccc(Cl)cc2)c1Br ZINC000816590642 660161873 /nfs/dbraw/zinc/16/18/73/660161873.db2.gz HIMWJJPJJRIDQA-GFCCVEGCSA-N 1 0 399.720 2.911 20 0 GFADRO O=C1COc2ccc(C[NH2+]C[C@@H](O)c3cccc(Br)c3)cc2N1 ZINC000816601136 660162228 /nfs/dbraw/zinc/16/22/28/660162228.db2.gz SNMTYYXHSRTACD-OAHLLOKOSA-N 1 0 377.238 2.603 20 0 GFADRO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)N1CC[C@@H]2C[N@@H+](C)C[C@@H]21 ZINC000816952708 660174302 /nfs/dbraw/zinc/17/43/02/660174302.db2.gz QGALZEQSCNYOGB-RISCZKNCSA-N 1 0 391.265 2.640 20 0 GFADRO CSc1nc2ccc(NC(=O)N3C[C@@H](C)N(CCO)C[C@H]3C)cc2s1 ZINC000841596781 661306518 /nfs/dbraw/zinc/30/65/18/661306518.db2.gz LWIDQDHOHSDYMB-VXGBXAGGSA-N 1 0 380.539 2.937 20 0 GFADRO O=C(NCCc1ccc(Br)cc1F)N1CCC2(C1)CC[NH2+]CC2 ZINC000841794570 661313432 /nfs/dbraw/zinc/31/34/32/661313432.db2.gz ZJHPROJYQRFYLH-UHFFFAOYSA-N 1 0 384.293 2.916 20 0 GFADRO O=C(NCCSCc1ccnc(Cl)c1)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000841877145 661317220 /nfs/dbraw/zinc/31/72/20/661317220.db2.gz XSQPVTSUPFESPW-CVEARBPZSA-N 1 0 382.961 2.999 20 0 GFADRO CC(C)[C@@H]([NH2+]Cc1ccc(S(N)(=O)=O)c(Cl)c1)[C@H](O)c1ccccc1 ZINC000842208231 661327737 /nfs/dbraw/zinc/32/77/37/661327737.db2.gz SHTNCYRSVABHFK-QZTJIDSGSA-N 1 0 382.913 2.835 20 0 GFADRO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(S(=O)(=O)/C=C/c2ccccc2Cl)CC1 ZINC000842484805 661341756 /nfs/dbraw/zinc/34/17/56/661341756.db2.gz AJUBNPGWLSLUIF-LJXZRRFRSA-N 1 0 384.929 2.859 20 0 GFADRO CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)c2cccnc2I)CC1 ZINC000842513647 661342824 /nfs/dbraw/zinc/34/28/24/661342824.db2.gz OLPHSLAKNPFUTP-CYBMUJFWSA-N 1 0 399.276 2.536 20 0 GFADRO C[NH2+]C[C@H](C)c1noc(CCNC(=O)Nc2ccc(Br)cc2)n1 ZINC000842581167 661344359 /nfs/dbraw/zinc/34/43/59/661344359.db2.gz WRSHYCPTONQBBM-JTQLQIEISA-N 1 0 382.262 2.519 20 0 GFADRO C[NH2+]C[C@@H](C)c1noc([C@@H]2CC(=O)N(c3ccc(Br)c(C)c3)C2)n1 ZINC000842581702 661344369 /nfs/dbraw/zinc/34/43/69/661344369.db2.gz YUXRDANTBUGMLF-VXGBXAGGSA-N 1 0 393.285 2.984 20 0 GFADRO COC(=O)c1c2cnn(C[N@@H+]3CC[C@@H]4OCC[C@@H]4C3)c2ccc1Br ZINC000842624523 661346321 /nfs/dbraw/zinc/34/63/21/661346321.db2.gz FQUODZYIYYSTGT-ABAIWWIYSA-N 1 0 394.269 2.654 20 0 GFADRO O[C@@H]1CCC[C@@H]1[NH+]1CCC(NCc2cc(Br)cnc2Cl)CC1 ZINC000842691573 661349785 /nfs/dbraw/zinc/34/97/85/661349785.db2.gz IIYRUXSYADGVOR-LSDHHAIUSA-N 1 0 388.737 2.965 20 0 GFADRO COc1ccc2nc(Cl)ccc2c1S(=O)(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000842725401 661351187 /nfs/dbraw/zinc/35/11/87/661351187.db2.gz WLTOWXSMQNPMEH-DGCLKSJQSA-N 1 0 383.901 2.693 20 0 GFADRO CC[NH2+]CC1CCN(S(=O)(=O)c2sc(C(=O)OC)c(Cl)c2C)CC1 ZINC000842735749 661351612 /nfs/dbraw/zinc/35/16/12/661351612.db2.gz ZNSOJDCTLRZVHE-UHFFFAOYSA-N 1 0 394.946 2.507 20 0 GFADRO O=S(=O)(/C=C\c1ccccc1Br)N1CCC2(C1)CC[NH2+]CC2 ZINC000842825972 661356608 /nfs/dbraw/zinc/35/66/08/661356608.db2.gz RNNMHQWLBIFPHW-XGICHPGQSA-N 1 0 385.327 2.825 20 0 GFADRO O=S(=O)(/C=C\c1cccc(Br)c1)N1CCC2(C1)CC[NH2+]CC2 ZINC000842825994 661356691 /nfs/dbraw/zinc/35/66/91/661356691.db2.gz ZRPFIDLOIFPKRD-WCIBSUBMSA-N 1 0 385.327 2.825 20 0 GFADRO C[C@@H]([NH2+]CC(C)(C)[C@]1(O)CCOC1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000842915169 661360202 /nfs/dbraw/zinc/36/02/02/661360202.db2.gz CZPUPZMSKMROAJ-PXAZEXFGSA-N 1 0 377.453 2.511 20 0 GFADRO COc1c(Br)cc(Cl)cc1S(=O)(=O)NCCCCCC[NH3+] ZINC000842921593 661360598 /nfs/dbraw/zinc/36/05/98/661360598.db2.gz HQPVIEWNNCUINI-UHFFFAOYSA-N 1 0 399.738 2.909 20 0 GFADRO [NH3+]CCCCCCNC(=O)C(=O)Nc1cccc(Cl)c1Br ZINC000843051241 661365288 /nfs/dbraw/zinc/36/52/88/661365288.db2.gz CGPIKTFMJRWKRK-UHFFFAOYSA-N 1 0 376.682 2.676 20 0 GFADRO O[C@H](C[NH2+]C[C@H](O)c1cccc(Br)c1)COc1cccc(F)c1 ZINC000843064246 661365726 /nfs/dbraw/zinc/36/57/26/661365726.db2.gz GBVHGUUJZVWZAR-WBVHZDCISA-N 1 0 384.245 2.651 20 0 GFADRO Cc1ccccc1[C@@H](O)C[NH2+]CCS(=O)(=O)c1cccc(Br)c1 ZINC000843074889 661366601 /nfs/dbraw/zinc/36/66/01/661366601.db2.gz PMDMHICEMMAQCI-KRWDZBQOSA-N 1 0 398.322 2.854 20 0 GFADRO C[C@](O)(C[NH2+]C[C@@H](O)C1CCOCC1)c1ccc(Br)cc1Cl ZINC000843083902 661366931 /nfs/dbraw/zinc/36/69/31/661366931.db2.gz SDQKJSAAYZCRFW-CVEARBPZSA-N 1 0 392.721 2.687 20 0 GFADRO C[C@](O)(C[NH2+]C[C@@H](CO)Cc1cccnc1)c1ccc(Br)cc1F ZINC000843108589 661368259 /nfs/dbraw/zinc/36/82/59/661368259.db2.gz ADOWPOYLKXPIEX-KSSFIOAISA-N 1 0 397.288 2.632 20 0 GFADRO Cc1nc(C[NH2+]C[C@@H](O)COc2ccc(Br)cc2)ccc1[C@@H](C)O ZINC000843106059 661368376 /nfs/dbraw/zinc/36/83/76/661368376.db2.gz KGFDEUGLMFCTCF-CZUORRHYSA-N 1 0 395.297 2.735 20 0 GFADRO OCC1([C@H]([NH2+]C[C@@H](O)c2ccc(Br)cc2)C2CC2)CCOCC1 ZINC000843114368 661369227 /nfs/dbraw/zinc/36/92/27/661369227.db2.gz JNQPEYUIGWDCMP-IAGOWNOFSA-N 1 0 384.314 2.640 20 0 GFADRO O[C@H](C[NH2+][C@H]1COc2ccccc2[C@H]1O)COc1cc(Cl)ccc1Cl ZINC000843115874 661369478 /nfs/dbraw/zinc/36/94/78/661369478.db2.gz KRPFYCIYLFJSCV-HNJNHCNJSA-N 1 0 384.259 2.817 20 0 GFADRO Cn1ccnc1[C@@H]([NH2+]C[C@@H](O)c1ccc(Br)cc1)C(C)(C)CO ZINC000843119806 661370193 /nfs/dbraw/zinc/37/01/93/661370193.db2.gz WYQYWPSDKHBOKA-HUUCEWRRSA-N 1 0 382.302 2.565 20 0 GFADRO [NH3+][C@H]1C[C@@H](c2nc(Cc3cc(Br)c4c(c3)OCCCO4)no2)C1 ZINC000843203995 661372607 /nfs/dbraw/zinc/37/26/07/661372607.db2.gz ZLFUOLZANXQEBA-PHIMTYICSA-N 1 0 380.242 2.789 20 0 GFADRO O=C(Cc1noc(C[C@H]2CSCC[NH2+]2)n1)Nc1cc(Cl)ccc1Cl ZINC000843214779 661373447 /nfs/dbraw/zinc/37/34/47/661373447.db2.gz JCOQZCWXRIAGHV-JTQLQIEISA-N 1 0 387.292 2.805 20 0 GFADRO Brc1cccc(C2(c3noc([C@@H]4C[NH2+]CCO4)n3)CCOCC2)c1 ZINC000843220392 661373733 /nfs/dbraw/zinc/37/37/33/661373733.db2.gz QLFMTBSDGCNVDK-AWEZNQCLSA-N 1 0 394.269 2.590 20 0 GFADRO Clc1ncc(Br)cc1CN1CCN(CC[NH+]2CCCC2)CC1 ZINC000843391588 661379129 /nfs/dbraw/zinc/37/91/29/661379129.db2.gz ZKICCZFEPZOZSQ-UHFFFAOYSA-N 1 0 387.753 2.711 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)CSc2nc3ccccc3s2)CC12CCOCC2 ZINC000843485603 661383026 /nfs/dbraw/zinc/38/30/26/661383026.db2.gz SPXYJAUFUNHHAE-ZDUSSCGKSA-N 1 0 377.535 2.602 20 0 GFADRO O=C(N[C@@H]1C[NH2+]CCC1(F)F)c1cc2c(cncc2Br)s1 ZINC000843485970 661383129 /nfs/dbraw/zinc/38/31/29/661383129.db2.gz WORJCNFUPKLKEJ-LLVKDONJSA-N 1 0 376.226 2.786 20 0 GFADRO CN(Cc1csc(-c2ccc(S(C)(=O)=O)cc2)n1)C1CCC([NH3+])CC1 ZINC000844221425 661409872 /nfs/dbraw/zinc/40/98/72/661409872.db2.gz ZRAJHHPDGHQJKF-UHFFFAOYSA-N 1 0 379.551 2.915 20 0 GFADRO CC(C)(C)OC(=O)NCCCCCC[N@@H+]1CCC[C@H](S(C)(=O)=O)CC1 ZINC000844322230 661414206 /nfs/dbraw/zinc/41/42/06/661414206.db2.gz BEJXZXNZSCABOY-INIZCTEOSA-N 1 0 376.563 2.971 20 0 GFADRO CC(C)[C@@H]([NH2+]Cc1cc(Cl)cc(S(N)(=O)=O)c1)[C@H](O)c1ccccc1 ZINC000844326644 661415045 /nfs/dbraw/zinc/41/50/45/661415045.db2.gz JBGPJPFGYIDUAL-QZTJIDSGSA-N 1 0 382.913 2.835 20 0 GFADRO CN(CN1CC(c2ccc(Br)cc2)=CC1=O)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000844693170 661433779 /nfs/dbraw/zinc/43/37/79/661433779.db2.gz WAQPUIIWZRLZQE-GOSISDBHSA-N 1 0 390.325 2.801 20 0 GFADRO C[NH+](C)CC[C@H](N)c1nc(Cc2c(F)ccc(Br)c2F)no1 ZINC000844920556 661449194 /nfs/dbraw/zinc/44/91/94/661449194.db2.gz SPSOETKTPJUZLU-NSHDSACASA-N 1 0 375.217 2.653 20 0 GFADRO O=C(NCCC[C@H]1CC1(Cl)Cl)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000845673064 661488025 /nfs/dbraw/zinc/48/80/25/661488025.db2.gz AFTZODHAEMPWSP-GJZGRUSLSA-N 1 0 378.344 2.714 20 0 GFADRO CS/C=C/C(=O)NCCN(CC[NH+]1CCCCCC1)C(=O)/C=C/SC ZINC000846143721 661534382 /nfs/dbraw/zinc/53/43/82/661534382.db2.gz GGBVBZTXZIJVML-BGPOSVGRSA-N 1 0 385.599 2.561 20 0 GFADRO CCO[C@@H]1CN(C(=O)N[C@H]2CCOc3c(Cl)c(Cl)ccc32)C[C@H]1C[NH3+] ZINC000846160603 661534548 /nfs/dbraw/zinc/53/45/48/661534548.db2.gz UDPJGQPIFSAARU-DDTOSNHZSA-N 1 0 388.295 2.822 20 0 GFADRO C[NH+](C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@]1(C)CC1(Cl)Cl ZINC000846242499 661540226 /nfs/dbraw/zinc/54/02/26/661540226.db2.gz SMMIKPRVJQPFRZ-ABAIWWIYSA-N 1 0 382.332 2.532 20 0 GFADRO Cc1cc(Br)nc(NC(=O)N2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)c1 ZINC000846310311 661544536 /nfs/dbraw/zinc/54/45/36/661544536.db2.gz LIMFTWPIOYLSSL-MELADBBJSA-N 1 0 397.317 2.903 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(C(=O)Nc3ccnc(Br)c3)C2)C1 ZINC000846310420 661544616 /nfs/dbraw/zinc/54/46/16/661544616.db2.gz JIWYNKKVDNSYTA-BZPMIXESSA-N 1 0 383.290 2.594 20 0 GFADRO CCO[C@@H]1CN(C(=O)Nc2cnc(Cl)c(Br)c2C)C[C@H]1C[NH3+] ZINC000846316213 661544930 /nfs/dbraw/zinc/54/49/30/661544930.db2.gz NDPFVBGYGIRZHC-MWLCHTKSSA-N 1 0 391.697 2.633 20 0 GFADRO CN(CC[NH+]1CCCCC1)C(=O)CCN1C(=S)N=NC1c1cccs1 ZINC000846662175 661561445 /nfs/dbraw/zinc/56/14/45/661561445.db2.gz MANCETRVAAGPIJ-UHFFFAOYSA-N 1 0 379.555 2.630 20 0 GFADRO C[NH+](C)C1(CNC(=O)C(=O)NCC[C@]2(C)C[C@]2(F)Cl)CCCCCC1 ZINC000846724046 661563010 /nfs/dbraw/zinc/56/30/10/661563010.db2.gz PWYTZNCOKLYKPE-SJLPKXTDSA-N 1 0 375.916 2.578 20 0 GFADRO C[C@H]1COCCN1C1CC[NH+](C[C@H](O)c2ccc(Br)cc2)CC1 ZINC000846910069 661570044 /nfs/dbraw/zinc/57/00/44/661570044.db2.gz BCCGIKJIYWTZOY-KSSFIOAISA-N 1 0 383.330 2.668 20 0 GFADRO CN(C(=O)c1nc(Cl)sc1Cl)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000847486131 661594283 /nfs/dbraw/zinc/59/42/83/661594283.db2.gz XASZKWSSFZOFSH-NSHDSACASA-N 1 0 377.341 2.690 20 0 GFADRO CC(=O)c1cc(Br)ccc1OCC(=O)OCC[C@@H]1CC[N@@H+](C)C1 ZINC000847819752 661611847 /nfs/dbraw/zinc/61/18/47/661611847.db2.gz MTBQGIXFBZCBAW-ZDUSSCGKSA-N 1 0 384.270 2.916 20 0 GFADRO COCC[NH+]1CCC(OC(=O)[C@@H](C)Oc2cccc(Br)c2)CC1 ZINC000847883187 661615126 /nfs/dbraw/zinc/61/51/26/661615126.db2.gz BCKSAVVFLMNIJC-CYBMUJFWSA-N 1 0 386.286 2.870 20 0 GFADRO O=C1O[C@@H](C[NH2+]CC2=Cc3cc(Br)ccc3OC2)CN1C1CC1 ZINC000848578865 661666732 /nfs/dbraw/zinc/66/67/32/661666732.db2.gz UIZFDNBZZHHHRT-HNNXBMFYSA-N 1 0 379.254 2.798 20 0 GFADRO C[C@@H]1CN(C(=[NH2+])NCc2ccc(I)cc2Cl)CCO1 ZINC000849094846 661691568 /nfs/dbraw/zinc/69/15/68/661691568.db2.gz RQOZGCBWYZOOEI-SECBINFHSA-N 1 0 393.656 2.690 20 0 GFADRO CN(CCC[NH+](C)C)CCNC(=S)Nc1cccc(OC(F)(F)F)c1 ZINC000849279584 661701791 /nfs/dbraw/zinc/70/17/91/661701791.db2.gz AITNGJLEBGCBKZ-UHFFFAOYSA-N 1 0 378.464 2.755 20 0 GFADRO O=C1N[C@H](c2ccccc2Br)C(=O)N1[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000849352610 661708729 /nfs/dbraw/zinc/70/87/29/661708729.db2.gz XKFNNNYGQNZIBM-SLEUVZQESA-N 1 0 378.270 2.669 20 0 GFADRO Cn1cc([C@H]2C[N@H+](C)CC[C@H]2C(=O)Nc2ccc(Br)cc2)cn1 ZINC000849482856 661733434 /nfs/dbraw/zinc/73/34/34/661733434.db2.gz UDNTZQAVTUNIPP-HZPDHXFCSA-N 1 0 377.286 2.857 20 0 GFADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@H]2C(=O)NCc2ccc(Br)s2)cn1 ZINC000849495159 661733740 /nfs/dbraw/zinc/73/37/40/661733740.db2.gz BOJJGTLPAWJZJP-KGLIPLIRSA-N 1 0 397.342 2.596 20 0 GFADRO Cn1cc([C@H]2C[N@H+](C)CC[C@H]2C(=O)NCc2ccc(Br)cc2)cn1 ZINC000849504871 661734306 /nfs/dbraw/zinc/73/43/06/661734306.db2.gz FOHRXKXLTFCQRT-IAGOWNOFSA-N 1 0 391.313 2.534 20 0 GFADRO CC(C)c1ncc(C[NH2+]CCNC(=O)c2ccc(Br)cn2)s1 ZINC000850352112 661771543 /nfs/dbraw/zinc/77/15/43/661771543.db2.gz ZTEJTSXDGNIHBZ-UHFFFAOYSA-N 1 0 383.315 2.944 20 0 GFADRO CCOc1cc(C[NH2+]CCS(=O)(=O)CC(F)(F)F)cc(Cl)c1OC ZINC000850363587 661772036 /nfs/dbraw/zinc/77/20/36/661772036.db2.gz BIMHBUPIADVCCP-UHFFFAOYSA-N 1 0 389.823 2.814 20 0 GFADRO O=S(=O)(CC[NH2+]Cc1cccc(OCC(F)(F)F)c1)CC(F)(F)F ZINC000850363617 661772038 /nfs/dbraw/zinc/77/20/38/661772038.db2.gz DALZTOUEAZPPII-UHFFFAOYSA-N 1 0 379.322 2.694 20 0 GFADRO CSC[C@H](CCO)[NH2+][C@@H]1CCN(C(=O)C(F)(F)F)Cc2ccccc21 ZINC000850438186 661776239 /nfs/dbraw/zinc/77/62/39/661776239.db2.gz WLHPBYDFSCZOBE-DZGCQCFKSA-N 1 0 376.444 2.726 20 0 GFADRO C[C@@H]([NH2+]CCC1(CS(C)(=O)=O)CC1)c1cc(Br)ncc1F ZINC000850485969 661778256 /nfs/dbraw/zinc/77/82/56/661778256.db2.gz PCHKPKHTMPTLMW-SNVBAGLBSA-N 1 0 379.295 2.849 20 0 GFADRO C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]CC[S@@](=O)CC(F)(F)F ZINC000850490864 661778942 /nfs/dbraw/zinc/77/89/42/661778942.db2.gz IDFPMPLYGHJKQR-XELLLNAOSA-N 1 0 398.878 2.978 20 0 GFADRO COC[C@H]([NH2+][C@H](C)c1ccc(S(=O)(=O)C(F)F)cc1)C1CCOCC1 ZINC000850492090 661778943 /nfs/dbraw/zinc/77/89/43/661778943.db2.gz LCXGFCWUWDUUHS-WBMJQRKESA-N 1 0 377.453 2.775 20 0 GFADRO COC[C@@H]([NH2+][C@H](C)c1ccc(S(=O)(=O)C(F)F)cc1)C1CCOCC1 ZINC000850492089 661778960 /nfs/dbraw/zinc/77/89/60/661778960.db2.gz LCXGFCWUWDUUHS-MLGOLLRUSA-N 1 0 377.453 2.775 20 0 GFADRO C[C@H](Cc1ccccc1)N1CCC([NH2+]CC[S@](=O)CC(F)(F)F)CC1 ZINC000850492576 661779233 /nfs/dbraw/zinc/77/92/33/661779233.db2.gz FDOHPMQTGGPTPZ-BZQUYTCOSA-N 1 0 376.488 2.983 20 0 GFADRO C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+]CC1(S(C)(=O)=O)CCCCC1 ZINC000850533006 661781126 /nfs/dbraw/zinc/78/11/26/661781126.db2.gz ZMTQEGUUYZPFLX-CYBMUJFWSA-N 1 0 387.933 2.789 20 0 GFADRO C[C@@H]([NH2+]CC1SCCS1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000850560009 661781515 /nfs/dbraw/zinc/78/15/15/661781515.db2.gz HWEXNAWSJRXTJM-MRVPVSSYSA-N 1 0 397.385 2.553 20 0 GFADRO Cc1ccc(S(=O)(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)c(Cl)n1 ZINC000850590886 661782723 /nfs/dbraw/zinc/78/27/23/661782723.db2.gz XVLUZGXMQBKVSF-HUUCEWRRSA-N 1 0 383.876 2.607 20 0 GFADRO Cn1c(Cl)cnc1-c1csc(NC(=O)N2CCC3(C2)CC[NH2+]CC3)n1 ZINC000850753824 661790566 /nfs/dbraw/zinc/79/05/66/661790566.db2.gz DMUWIDJYHFAKPV-UHFFFAOYSA-N 1 0 380.905 2.804 20 0 GFADRO O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1cc2sccc2nc1Cl ZINC000851635178 661827323 /nfs/dbraw/zinc/82/73/23/661827323.db2.gz JNCXPEGXFRLYFT-LBPRGKRZSA-N 1 0 392.834 2.516 20 0 GFADRO C[C@@H]1C[C@@H](C)N(C(=O)c2ccc(C(F)(F)Br)nc2)C[C@@H]1C[NH3+] ZINC000851642572 661827785 /nfs/dbraw/zinc/82/77/85/661827785.db2.gz YYDHBCRULFFSCP-FOGDFJRCSA-N 1 0 376.245 2.971 20 0 GFADRO NS(=O)(=O)c1cc(C[N@@H+]2CCC[C@H]2Cc2ccc(Br)cc2)co1 ZINC000851735995 661829743 /nfs/dbraw/zinc/82/97/43/661829743.db2.gz FLZNRNHSQKRUGW-HNNXBMFYSA-N 1 0 399.310 2.897 20 0 GFADRO CCOP(=O)(OCC)[C@@H](O)C[N@@H+]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000851848036 661838625 /nfs/dbraw/zinc/83/86/25/661838625.db2.gz ITYGXYNGEOKXLY-UONOGXRCSA-N 1 0 380.422 2.512 20 0 GFADRO C[C@@H]([NH2+]C[C@H](O)c1ccccn1)c1cc2c(cc1Br)OCCO2 ZINC000851896821 661844865 /nfs/dbraw/zinc/84/48/65/661844865.db2.gz MJAVABHABUWJRN-ABAIWWIYSA-N 1 0 379.254 3.000 20 0 GFADRO CCS(=O)(=O)c1ccc([C@H](C)[NH2+]CC(=O)Nc2ccc(Cl)nc2)cc1 ZINC000852022654 661849584 /nfs/dbraw/zinc/84/95/84/661849584.db2.gz MTMKQOAMWOUXPS-LBPRGKRZSA-N 1 0 381.885 2.818 20 0 GFADRO CCOP(=O)(OCC)[C@H](O)C[NH+]1[C@H](C)CN(C(=O)C(C)(C)C)C[C@H]1C ZINC000852076510 661851792 /nfs/dbraw/zinc/85/17/92/661851792.db2.gz IULJBIQGNNDLOF-KFWWJZLASA-N 1 0 378.450 2.538 20 0 GFADRO CCOP(=O)(OCC)[C@H](O)C[N@@H+]1CC[C@H](C(=O)OC)[C@@H]2CCCC[C@H]21 ZINC000852493772 661865874 /nfs/dbraw/zinc/86/58/74/661865874.db2.gz TUWMQTFRXVNDFS-JONQDZQNSA-N 1 0 377.418 2.625 20 0 GFADRO O[C@H](C[NH2+][C@H]1C[C@H](O)C12CCC2)COc1ccc(Cl)cc1Br ZINC000852584784 661867504 /nfs/dbraw/zinc/86/75/04/661867504.db2.gz RCDABTZOLWUBBC-UGFHNGPFSA-N 1 0 390.705 2.735 20 0 GFADRO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)NC[C@@H](O)c1ccccc1Br ZINC000852603832 661867755 /nfs/dbraw/zinc/86/77/55/661867755.db2.gz VWHRKQDULCQULG-RHSMWYFYSA-N 1 0 398.345 2.902 20 0 GFADRO COC(=O)[C@@H](c1cccc(Cl)c1Cl)N(C)C[C@@H](O)C[NH+]1CCCC1 ZINC000852690911 661871351 /nfs/dbraw/zinc/87/13/51/661871351.db2.gz BFZGJESHYXMSAB-MLGOLLRUSA-N 1 0 375.296 2.596 20 0 GFADRO [NH3+]C[C@@H]1CC(C(=O)Nc2nc(-c3cc(Br)cs3)cs2)=NO1 ZINC000852839363 661875568 /nfs/dbraw/zinc/87/55/68/661875568.db2.gz CRDPIFGAIPZQFX-ZETCQYMHSA-N 1 0 387.284 2.676 20 0 GFADRO CCc1ccc([C@H]2C[NH2+]CCN2C(=O)c2cnn(C)c2Br)cc1 ZINC000852877662 661876223 /nfs/dbraw/zinc/87/62/23/661876223.db2.gz IRBPMYFPUOTBME-OAHLLOKOSA-N 1 0 377.286 2.532 20 0 GFADRO C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1NC(=O)c1cnn(-c2ccccc2)c1Br ZINC000852879612 661876398 /nfs/dbraw/zinc/87/63/98/661876398.db2.gz FZDSMOVWJCLSHR-TYNCELHUSA-N 1 0 377.286 2.751 20 0 GFADRO C[C@]12CCN(C(=O)C[C@@H]3CCC[C@H]3[NH3+])C[C@H]1C2(Br)Br ZINC000852902007 661877062 /nfs/dbraw/zinc/87/70/62/661877062.db2.gz ZGLCUTUZAAUZEO-WGBDABJCSA-N 1 0 394.151 2.858 20 0 GFADRO O[C@@H](C[NH2+][C@@H]1C[C@@H](N2CCOCC2)C12CCC2)c1ccccc1Br ZINC000853113669 661882666 /nfs/dbraw/zinc/88/26/66/661882666.db2.gz DFEKEXVMPUHPDT-RCCFBDPRSA-N 1 0 395.341 2.716 20 0 GFADRO O[C@@H](C[NH2+][C@@H]1C[C@@H](N2CCOCC2)C12CCC2)c1ccc(Br)cc1 ZINC000853114404 661882673 /nfs/dbraw/zinc/88/26/73/661882673.db2.gz MSKNYZSSLYWYOR-RCCFBDPRSA-N 1 0 395.341 2.716 20 0 GFADRO C[NH+]1CCN(C[C@H](Nc2ncnc(F)c2Br)c2ccccc2)CC1 ZINC000853262288 661886487 /nfs/dbraw/zinc/88/64/87/661886487.db2.gz OWQMBNLVZFOFFA-AWEZNQCLSA-N 1 0 394.292 2.779 20 0 GFADRO C[NH+]1CCC(CNc2ncnc(F)c2Br)(N2CCCCC2)CC1 ZINC000853382803 661888291 /nfs/dbraw/zinc/88/82/91/661888291.db2.gz JYALFROYLOQZDA-UHFFFAOYSA-N 1 0 386.313 2.740 20 0 GFADRO O=S1(=O)N=C(Cl)c2ccc(N3CC[C@H]4[C@H](CCC[N@@H+]4C4CC4)C3)cc21 ZINC000853454856 661889370 /nfs/dbraw/zinc/88/93/70/661889370.db2.gz KGXYUWNXEKJYAX-WBMJQRKESA-N 1 0 379.913 2.827 20 0 GFADRO O=C(N1CCC[C@@H]([C@H]2CCCC[N@@H+]2CN2CCSC2=S)C1)C(F)(F)F ZINC000853545463 661891837 /nfs/dbraw/zinc/89/18/37/661891837.db2.gz GGUSDZIJLVWVMZ-CHWSQXEVSA-N 1 0 395.516 2.933 20 0 GFADRO O=C1CC[C@H]2C[N@H+](Cn3ccc(-c4ccc(Br)cc4)n3)CC[C@H]2N1 ZINC000853556574 661892375 /nfs/dbraw/zinc/89/23/75/661892375.db2.gz FXVQTXFQEKAGRE-GOEBONIOSA-N 1 0 389.297 2.871 20 0 GFADRO COC(=O)c1c2cnn(C[N@@H+]3CC[C@@H]4COC[C@H]4C3)c2ccc1Br ZINC000853589259 661893763 /nfs/dbraw/zinc/89/37/63/661893763.db2.gz HZKNJPYAZPSIGF-VXGBXAGGSA-N 1 0 394.269 2.511 20 0 GFADRO C[N@H+](CCc1ccccc1)[C@H]1CCN(C(=O)NC[C@@H]2CSCCS2)C1 ZINC000853842457 661903563 /nfs/dbraw/zinc/90/35/63/661903563.db2.gz BQOZMALWVXSXFS-ZWKOTPCHSA-N 1 0 379.595 2.793 20 0 GFADRO Brc1ccc(-c2cc(-c3nc(N4CC[NH2+]CC4)no3)on2)cc1 ZINC000854163458 661917321 /nfs/dbraw/zinc/91/73/21/661917321.db2.gz VYJUJEMJBABINE-UHFFFAOYSA-N 1 0 376.214 2.564 20 0 GFADRO CC(C)(CC[NH+]1CCCCCC1)NC(=O)NCC[S@@](=O)CC(F)(F)F ZINC000854304062 661922692 /nfs/dbraw/zinc/92/26/92/661922692.db2.gz BTIBGKYXOYRYBM-RUZDIDTESA-N 1 0 385.496 2.641 20 0 GFADRO O=C([C@@H](O)c1ccc(Cl)c(Cl)c1)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000854332025 661924992 /nfs/dbraw/zinc/92/49/92/661924992.db2.gz YFAHYPCGNJPVLQ-PBHICJAKSA-N 1 0 387.307 2.740 20 0 GFADRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)[C@]1(C)CC1(Br)Br ZINC000854430840 661932801 /nfs/dbraw/zinc/93/28/01/661932801.db2.gz MEMNTRBUIFWVCV-WZRBSPASSA-N 1 0 394.151 2.968 20 0 GFADRO O=C(c1cc(Br)n[nH]1)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000854430942 661932851 /nfs/dbraw/zinc/93/28/51/661932851.db2.gz NPNDGNGUCPZRSK-GOSISDBHSA-N 1 0 389.297 2.910 20 0 GFADRO C[C@H]1CN(C(=O)[C@@]2(C)CC2(Br)Br)CC[N@@H+](C2CC2)C1 ZINC000854677785 661947216 /nfs/dbraw/zinc/94/72/16/661947216.db2.gz OTQHGBZRNPCOAC-ZWNOBZJWSA-N 1 0 394.151 2.825 20 0 GFADRO O=C(N[C@@H]1CCC[N@@H+](CCCO)C1)C(F)(F)c1ccc(Br)cc1 ZINC000854743463 661952794 /nfs/dbraw/zinc/95/27/94/661952794.db2.gz MSUDBXUGXOTFGF-CQSZACIVSA-N 1 0 391.256 2.504 20 0 GFADRO Cc1nc(SCC(C)C)sc1CC(=O)NC[C@H]1CCCC[N@@H+]1CCO ZINC000854742201 661952812 /nfs/dbraw/zinc/95/28/12/661952812.db2.gz APLMSTGCTCMEHV-OAHLLOKOSA-N 1 0 385.599 2.705 20 0 GFADRO C[N@@H+]1CCC[C@H](CCNC(=O)[C@]2(C)CC2(Br)Br)C1 ZINC000854912987 661960832 /nfs/dbraw/zinc/96/08/32/661960832.db2.gz LIJWNSCRCWMUHU-PWSUYJOCSA-N 1 0 382.140 2.731 20 0 GFADRO CC[N@H+](Cc1ccc(C(=O)NCC[S@](=O)CC(F)(F)F)cc1)C(C)C ZINC000855274979 661981154 /nfs/dbraw/zinc/98/11/54/661981154.db2.gz HBRPJFJCJCJYHD-VWLOTQADSA-N 1 0 378.460 2.958 20 0 GFADRO C[NH+](C)CCC[C@H]1CN(C(=O)[C@H](O)c2cc(Cl)cc(Cl)c2)CCO1 ZINC000856430594 662033575 /nfs/dbraw/zinc/03/35/75/662033575.db2.gz ZKDJIQIQXZMNOH-JKSUJKDBSA-N 1 0 375.296 2.596 20 0 GFADRO O=C(NC[C@H]1CCC[N@H+](CC2CC2)C1)[C@@H]1Cc2cc(Br)ccc2O1 ZINC000856480325 662035335 /nfs/dbraw/zinc/03/53/35/662035335.db2.gz RUCGALDFGKTYGA-KDOFPFPSSA-N 1 0 393.325 2.991 20 0 GFADRO Brc1cnc(N2CCC([NH2+]CCOc3ccccc3)CC2)cn1 ZINC000856730831 662039380 /nfs/dbraw/zinc/03/93/80/662039380.db2.gz SCUULFNXIJDUFK-UHFFFAOYSA-N 1 0 377.286 2.877 20 0 GFADRO O=C(NCC(F)(F)c1ccc(Br)cc1)N[C@H]1C[NH2+]CCC1(F)F ZINC000857106758 662063787 /nfs/dbraw/zinc/06/37/87/662063787.db2.gz ZJCVTAWLPSAIKP-NSHDSACASA-N 1 0 398.198 2.837 20 0 GFADRO Cc1cc(C[NH+](C)C)cc(NC(=O)c2c(Br)nc3n2CCOC3)c1 ZINC000857164973 662066474 /nfs/dbraw/zinc/06/64/74/662066474.db2.gz VGDSFIWBSYNLQD-UHFFFAOYSA-N 1 0 393.285 2.798 20 0 GFADRO C[NH+](C)[C@H]1CCc2cc(Br)ccc2N(C(=O)C2=COCCO2)C1 ZINC000857882112 662093680 /nfs/dbraw/zinc/09/36/80/662093680.db2.gz FZKWIAAGLACSDQ-AWEZNQCLSA-N 1 0 381.270 2.547 20 0 GFADRO C[NH+](C)[C@@H]1CCc2ccccc2N(C(=O)Cn2cc(Br)cn2)C1 ZINC000857931489 662094766 /nfs/dbraw/zinc/09/47/66/662094766.db2.gz XCGCZJFQOQAOAZ-OAHLLOKOSA-N 1 0 377.286 2.555 20 0 GFADRO O=C1O[C@@H](C[NH2+]Cc2c[nH]nc2-c2ccc(Br)s2)CN1C1CC1 ZINC000858186050 662103843 /nfs/dbraw/zinc/10/38/43/662103843.db2.gz OSELXZLCJWQCEZ-NSHDSACASA-N 1 0 397.298 2.974 20 0 GFADRO O=S(=O)(N1CCC(C[NH2+][C@@H]2CCCc3scnc32)CC1)C(F)(F)F ZINC000858364759 662109767 /nfs/dbraw/zinc/10/97/67/662109767.db2.gz VPYVEWRPVVKHLS-LLVKDONJSA-N 1 0 383.461 2.672 20 0 GFADRO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)[C@H]2C[C@@]2(C)Br)c1 ZINC000858533437 662114383 /nfs/dbraw/zinc/11/43/83/662114383.db2.gz SXLFSDUPQBSCGH-CRAIPNDOSA-N 1 0 396.329 2.870 20 0 GFADRO COc1ccc(Br)cc1C[C@@H](CO)CNc1cc[nH+]c(CO)c1 ZINC000858564462 662114900 /nfs/dbraw/zinc/11/49/00/662114900.db2.gz NNILYBFTAPHREN-GFCCVEGCSA-N 1 0 381.270 2.608 20 0 GFADRO CC[C@@H]([NH2+][C@@H](C)C(=O)N(C)OC)c1ccc(I)cc1 ZINC000858579519 662115468 /nfs/dbraw/zinc/11/54/68/662115468.db2.gz RABBWLPKXBJCKG-GXFFZTMASA-N 1 0 376.238 2.740 20 0 GFADRO C[C@H]([NH3+])CN(C)S(=O)(=O)c1csc(-c2ccc(Br)cc2)n1 ZINC000858642795 662117882 /nfs/dbraw/zinc/11/78/82/662117882.db2.gz QMWFRQPPPWHXME-VIFPVBQESA-N 1 0 390.328 2.540 20 0 GFADRO COc1cccc(C[NH+]2CCC(NC(=O)[C@@H]3C[C@]3(C)Br)CC2)c1 ZINC000858653141 662118084 /nfs/dbraw/zinc/11/80/84/662118084.db2.gz NRCRTXGNNYKJSJ-WMZOPIPTSA-N 1 0 381.314 2.949 20 0 GFADRO COC(=O)Nc1ccc(S(=O)(=O)NCC[N@@H+]2CCCC2(C)C)cc1Cl ZINC000859183601 662143447 /nfs/dbraw/zinc/14/34/47/662143447.db2.gz MWAICTWAULATMX-UHFFFAOYSA-N 1 0 389.905 2.671 20 0 GFADRO CCC[N@H+](C)CC(C)(C)NS(=O)(=O)c1ccc(NC(=O)OC)c(Cl)c1 ZINC000859231031 662146565 /nfs/dbraw/zinc/14/65/65/662146565.db2.gz QXJNPXOFTRGSQN-UHFFFAOYSA-N 1 0 391.921 2.917 20 0 GFADRO O[C@H](COc1cc(Cl)ccc1Cl)C[NH+]1CCC(N2CCOCC2)CC1 ZINC000859357736 662156261 /nfs/dbraw/zinc/15/62/61/662156261.db2.gz MGKIPERUCATBDE-INIZCTEOSA-N 1 0 389.323 2.530 20 0 GFADRO CC[C@@H](C(=O)NC[C@H](C)N1CC[NH+](C)CC1)c1ccc(Br)cc1 ZINC000859364690 662156785 /nfs/dbraw/zinc/15/67/85/662156785.db2.gz ODAMHZFHLHTMGC-WMLDXEAASA-N 1 0 382.346 2.695 20 0 GFADRO C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](Sc3ccc(Br)cc3)C2)CCO1 ZINC000859441864 662163200 /nfs/dbraw/zinc/16/32/00/662163200.db2.gz SDTBCXZHBWTIDJ-CJNGLKHVSA-N 1 0 399.354 2.863 20 0 GFADRO OC[C@]1([NH2+]C[C@@H](O)c2ccc(F)cn2)CCc2cc(Br)ccc2C1 ZINC000859574830 662168271 /nfs/dbraw/zinc/16/82/71/662168271.db2.gz SFYJZKFNAQEATI-MSOLQXFVSA-N 1 0 395.272 2.526 20 0 GFADRO [NH3+]CC1(NC(=O)Nc2ccc(OCC(F)(F)F)c(Cl)c2)CCOCC1 ZINC000859686996 662172472 /nfs/dbraw/zinc/17/24/72/662172472.db2.gz YPXGESYKMZYCAL-UHFFFAOYSA-N 1 0 381.782 2.911 20 0 GFADRO Cc1cnc(Br)c(NC(=O)N2CCC(CO[C@@H]3CC[NH2+]C3)CC2)c1 ZINC000859690136 662172697 /nfs/dbraw/zinc/17/26/97/662172697.db2.gz BHSYGBYJZFLEOQ-CQSZACIVSA-N 1 0 397.317 2.775 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2C(=O)c1cc(Br)cc(C=O)c1 ZINC000860312675 662196787 /nfs/dbraw/zinc/19/67/87/662196787.db2.gz MFPAXCWKWGUFAT-BRWVUGGUSA-N 1 0 395.297 2.585 20 0 GFADRO COCC[N@@H+]1CCC[C@H]1COC(=O)COc1ccc(F)cc1Br ZINC000861031995 662224895 /nfs/dbraw/zinc/22/48/95/662224895.db2.gz GFJRXDGKJVWHNA-ZDUSSCGKSA-N 1 0 390.249 2.621 20 0 GFADRO CO[C@@H]1C[N@H+](C)[C@](C)(COC(=O)[C@@H](C)Oc2cccc(Br)c2)C1 ZINC000861348540 662241431 /nfs/dbraw/zinc/24/14/31/662241431.db2.gz USOXOWSJCWDOGH-PVUWLOKVSA-N 1 0 386.286 2.869 20 0 GFADRO C[C@@H]([NH3+])CN(C)C(=O)C(=O)Nc1cc(Cl)ccc1SCC(F)(F)F ZINC000861541701 662249412 /nfs/dbraw/zinc/24/94/12/662249412.db2.gz GIBIXTMEHGDPHA-MRVPVSSYSA-N 1 0 383.823 2.739 20 0 GFADRO C[N@H+](CCCCNC(=O)c1cc(Br)c2ncc(C=O)n2c1)C1CC1 ZINC000861942591 662264681 /nfs/dbraw/zinc/26/46/81/662264681.db2.gz VPARTJYTRJCOOU-UHFFFAOYSA-N 1 0 393.285 2.514 20 0 GFADRO C[C@@]1(Br)C[C@@H]1C(=O)NC1(C[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000862207449 662273058 /nfs/dbraw/zinc/27/30/58/662273058.db2.gz QSZARPBGHAENBT-SJLPKXTDSA-N 1 0 392.341 2.631 20 0 GFADRO C/C(=C/c1c(Cl)cccc1Cl)C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000862648709 662296854 /nfs/dbraw/zinc/29/68/54/662296854.db2.gz CVOUMSVDKVFMNB-JNSOCZORSA-N 1 0 384.307 2.853 20 0 GFADRO CC(=O)N1CSC[C@H]1C(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000863036511 662309022 /nfs/dbraw/zinc/30/90/22/662309022.db2.gz CLLDPTINKXCTAD-CABCVRRESA-N 1 0 390.336 2.634 20 0 GFADRO [NH3+][C@@H]1CC=C(c2nc(COc3ccc(I)cc3)no2)C1 ZINC000863672858 662343848 /nfs/dbraw/zinc/34/38/48/662343848.db2.gz NSDWDOGISILATM-LLVKDONJSA-N 1 0 383.189 2.758 20 0 GFADRO CCC[NH+]1CCC(NC(=O)[C@@H](NC(C)=O)c2cccc(Br)c2)CC1 ZINC000864578965 662380333 /nfs/dbraw/zinc/38/03/33/662380333.db2.gz QCBUGBRRVFTBBQ-KRWDZBQOSA-N 1 0 396.329 2.617 20 0 GFADRO C[C@@H](CNC(=O)c1cc(Br)ncc1Br)[N@H+](C)C1CC1 ZINC000865142568 662401082 /nfs/dbraw/zinc/40/10/82/662401082.db2.gz HXZZRWVECHVETG-QMMMGPOBSA-N 1 0 391.107 2.819 20 0 GFADRO C[C@H](CN1CCN(c2ccccn2)CC1)[NH2+]Cc1cccnc1Br ZINC000865468917 662423294 /nfs/dbraw/zinc/42/32/94/662423294.db2.gz GGUDYCZLIMUKEZ-OAHLLOKOSA-N 1 0 390.329 2.539 20 0 GFADRO OC[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCc1cccnc1Br ZINC000865473150 662423811 /nfs/dbraw/zinc/42/38/11/662423811.db2.gz KTYYKQBJFZXUFG-QZTJIDSGSA-N 1 0 390.325 2.817 20 0 GFADRO COCC[C@H](C[NH2+][C@@H]1CC[C@H]2SCCS[C@H]12)NC(=O)OC(C)(C)C ZINC000865512785 662425871 /nfs/dbraw/zinc/42/58/71/662425871.db2.gz DYEJIKLPALLLMX-KBUPBQIOSA-N 1 0 376.588 2.885 20 0 GFADRO CCC[C@H]([NH2+]Cc1ccc(Cl)c(S(N)(=O)=O)c1)[C@H](O)c1ccccc1 ZINC000865548574 662428354 /nfs/dbraw/zinc/42/83/54/662428354.db2.gz JATPKRRGWIRRSC-FUHWJXTLSA-N 1 0 382.913 2.979 20 0 GFADRO CCC[C@@H]([NH2+]Cc1ccc(Cl)c(S(N)(=O)=O)c1)[C@H](O)c1ccccc1 ZINC000865548575 662428474 /nfs/dbraw/zinc/42/84/74/662428474.db2.gz JATPKRRGWIRRSC-SJLPKXTDSA-N 1 0 382.913 2.979 20 0 GFADRO CC(C)(C)OC(=O)N[C@@H](C[NH2+][C@H]1CCN(CC(F)F)C1)CC(F)(F)F ZINC000865605491 662432049 /nfs/dbraw/zinc/43/20/49/662432049.db2.gz BMOUTIFTJCNVAG-WDEREUQCSA-N 1 0 375.382 2.761 20 0 GFADRO CN(CCOCC[NH2+]Cc1cccnc1Br)C(=O)OC(C)(C)C ZINC000865641189 662433402 /nfs/dbraw/zinc/43/34/02/662433402.db2.gz RQVBBDRWVJOUDD-UHFFFAOYSA-N 1 0 388.306 2.817 20 0 GFADRO CC(C)([NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1)[C@@H]1CCCCO1 ZINC000865744189 662440577 /nfs/dbraw/zinc/44/05/77/662440577.db2.gz OHMUBRVOOVYIGG-AWEZNQCLSA-N 1 0 391.331 2.534 20 0 GFADRO CC(C)[C@@H](CNC(=O)c1ccc(SC(F)(F)F)o1)N1CC[NH+](C)CC1 ZINC000865786714 662443382 /nfs/dbraw/zinc/44/33/82/662443382.db2.gz SVXYQIWENFBDIH-GFCCVEGCSA-N 1 0 379.448 2.893 20 0 GFADRO CC[NH+](CC)C[C@@H](C)NC(=O)c1cnn(C(C)C)c1I ZINC000865805802 662444698 /nfs/dbraw/zinc/44/46/98/662444698.db2.gz CFMCNPMFNHBCSB-LLVKDONJSA-N 1 0 392.285 2.529 20 0 GFADRO CN(C)C(=O)N1CCC([NH2+][C@@H]2[C@@H]3Cc4ccc(Br)cc4[C@@H]32)CC1 ZINC000865835247 662446442 /nfs/dbraw/zinc/44/64/42/662446442.db2.gz XGHLROORIQVMGA-IXDOHACOSA-N 1 0 378.314 2.823 20 0 GFADRO CC(C)[C@H]1C[C@H](C[NH2+]Cc2c(I)cnn2C)CCO1 ZINC000865869161 662448667 /nfs/dbraw/zinc/44/86/67/662448667.db2.gz YRQFAGQMUMADAO-BXUZGUMPSA-N 1 0 377.270 2.566 20 0 GFADRO C[NH+](C)C1(CNC(=O)c2cc(F)c(Br)cc2F)CCOCC1 ZINC000865876583 662449149 /nfs/dbraw/zinc/44/91/49/662449149.db2.gz MCFFDKYXLWTASE-UHFFFAOYSA-N 1 0 377.229 2.568 20 0 GFADRO O=C(NC1CC[NH+](CCc2ccccc2)CC1)c1cc(Br)no1 ZINC000865902890 662450377 /nfs/dbraw/zinc/45/03/77/662450377.db2.gz JYOICLVUMSZWMB-UHFFFAOYSA-N 1 0 378.270 2.874 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(Br)cn3ccnc23)[C@@H](C)C1 ZINC000866048514 662458313 /nfs/dbraw/zinc/45/83/13/662458313.db2.gz CETBIWWARWKNBJ-SWLSCSKDSA-N 1 0 379.302 2.899 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)c2cc(Br)ncc2Br)CC[N@@H+]1C ZINC000866072679 662459498 /nfs/dbraw/zinc/45/94/98/662459498.db2.gz MFNYQJJKUUVGRY-RKDXNWHRSA-N 1 0 391.107 2.819 20 0 GFADRO CN1CC[NH+](C2CCN(c3ncnc4ccc(Br)cc43)CC2)CC1 ZINC000866215186 662465020 /nfs/dbraw/zinc/46/50/20/662465020.db2.gz VQFZXOWZDDMEQE-UHFFFAOYSA-N 1 0 390.329 2.609 20 0 GFADRO CN(CC[NH+]1CC2(C1)CCOCC2)c1ncnc2ccc(Br)cc21 ZINC000866256235 662465824 /nfs/dbraw/zinc/46/58/24/662465824.db2.gz MOXNYFZRTSXHNR-UHFFFAOYSA-N 1 0 391.313 2.941 20 0 GFADRO O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)c1cc(F)c(Br)cc1F ZINC000866607788 662483708 /nfs/dbraw/zinc/48/37/08/662483708.db2.gz VJXCHETWMOJOCK-NSHDSACASA-N 1 0 389.240 2.710 20 0 GFADRO [NH3+][C@@H]1CN(S(=O)(=O)c2cscc2Br)C[C@H]1c1ccccc1 ZINC000866761911 662495499 /nfs/dbraw/zinc/49/54/99/662495499.db2.gz CNMWWKWJOVIJPF-WCQYABFASA-N 1 0 387.324 2.626 20 0 GFADRO CN(c1ccc(OCC[NH+](C)C)cc1)S(=O)(=O)c1ccc(Cl)nc1F ZINC000866767205 662496044 /nfs/dbraw/zinc/49/60/44/662496044.db2.gz MEXJYMJCFNZSLG-UHFFFAOYSA-N 1 0 387.864 2.640 20 0 GFADRO Cc1ccc(Br)c(CS(=O)(=O)N[C@@H](C)C2CC[NH2+]CC2)c1 ZINC000866813285 662501182 /nfs/dbraw/zinc/50/11/82/662501182.db2.gz ZECUVDADJLKJDP-LBPRGKRZSA-N 1 0 375.332 2.565 20 0 GFADRO CC(C)(C)[C@]1(C[NH3+])CCN(S(=O)(=O)c2cscc2Br)C1 ZINC000866814066 662501413 /nfs/dbraw/zinc/50/14/13/662501413.db2.gz JZOYYXPJNAPECT-ZDUSSCGKSA-N 1 0 381.361 2.896 20 0 GFADRO O=S(=O)(c1c(Cl)cccc1Br)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000866824628 662502209 /nfs/dbraw/zinc/50/22/09/662502209.db2.gz NDSJEWYGRYDWRU-NEPJUHHUSA-N 1 0 379.707 2.618 20 0 GFADRO C[NH+](C)CCN(Cc1ccco1)S(=O)(=O)c1cc(Cl)cnc1Cl ZINC000866946832 662510531 /nfs/dbraw/zinc/51/05/31/662510531.db2.gz DSAJQQZBBWXXIW-UHFFFAOYSA-N 1 0 378.281 2.734 20 0 GFADRO C[NH+](C)C[C@@H]1CN(S(=O)(=O)C[C@@]2(C)CC2(Cl)Cl)c2ccccc2O1 ZINC000866961684 662512042 /nfs/dbraw/zinc/51/20/42/662512042.db2.gz CCPQGWZOCURJII-IUODEOHRSA-N 1 0 393.336 2.729 20 0 GFADRO Cc1cc(C[NH+](C)C)cc(NC(=O)c2cc(I)nn2C)c1 ZINC000867021365 662517218 /nfs/dbraw/zinc/51/72/18/662517218.db2.gz XTZGJPNURHLWTN-UHFFFAOYSA-N 1 0 398.248 2.647 20 0 GFADRO C[NH+](C)CCN(Cc1ccsc1)S(=O)(=O)c1ccc(Cl)nc1F ZINC000867386555 662546807 /nfs/dbraw/zinc/54/68/07/662546807.db2.gz KEGHHUMJNLOSQU-UHFFFAOYSA-N 1 0 377.894 2.688 20 0 GFADRO O=S(=O)(CCC[NH+]1CCCC1)Oc1cccc(N=S2(=O)CCCC2)c1 ZINC000867482668 662553339 /nfs/dbraw/zinc/55/33/39/662553339.db2.gz BBEKPJHMQLFCPE-UHFFFAOYSA-N 1 0 386.539 2.774 20 0 GFADRO CCCCN(c1ccncc1)S(=O)(=O)c1ccc(F)c(S(C)(=O)=O)c1 ZINC000867628391 662563912 /nfs/dbraw/zinc/56/39/12/662563912.db2.gz ZIFCYLJYVBCFFV-UHFFFAOYSA-N 1 0 386.470 2.620 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(S(=O)(=O)c3c(Cl)cccc3Br)CC[C@H]21 ZINC000867809498 662578502 /nfs/dbraw/zinc/57/85/02/662578502.db2.gz RYEGAUQFRJQEFH-ZWNOBZJWSA-N 1 0 393.734 2.817 20 0 GFADRO C[N@@H+]1CC[C@H]2CN(S(=O)(=O)c3cc(Br)sc3Cl)CC[C@H]21 ZINC000867813102 662579472 /nfs/dbraw/zinc/57/94/72/662579472.db2.gz QMMZJTQONFGINO-DTWKUNHWSA-N 1 0 399.763 2.879 20 0 GFADRO CS(=O)(=O)c1cc(C(=O)N2C[C@H](C[NH3+])Cc3ccccc32)ccc1Cl ZINC000868047938 662592626 /nfs/dbraw/zinc/59/26/26/662592626.db2.gz WITQOBDKTOPMBJ-LBPRGKRZSA-N 1 0 378.881 2.521 20 0 GFADRO COCCC1(NC(=O)Nc2ccc(Br)c(OC)c2)CC[NH2+]CC1 ZINC000868130057 662595472 /nfs/dbraw/zinc/59/54/72/662595472.db2.gz HVMHOPHOFHMPIJ-UHFFFAOYSA-N 1 0 386.290 2.738 20 0 GFADRO CCOCCOc1ccc(Br)cc1NC(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000868145099 662596254 /nfs/dbraw/zinc/59/62/54/662596254.db2.gz JQUKSZIWNQXDNN-BJHJDKERSA-N 1 0 386.290 2.723 20 0 GFADRO Cc1ccc(I)cc1NC(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000868148973 662596377 /nfs/dbraw/zinc/59/63/77/662596377.db2.gz QHDSNVPCKIJTST-JSGCOSHPSA-N 1 0 385.249 2.958 20 0 GFADRO C[C@@H](CNC(=O)NCc1ncc(Br)s1)[N@@H+]1CCC[C@H](C)C1 ZINC000868238106 662599340 /nfs/dbraw/zinc/59/93/40/662599340.db2.gz PMYHOMFSGVHIGH-QWRGUYRKSA-N 1 0 375.336 2.825 20 0 GFADRO O=C(NCCCCC[NH+]1CCCC1)NCc1ncc(Br)s1 ZINC000868651784 662613714 /nfs/dbraw/zinc/61/37/14/662613714.db2.gz SYTRMAYJKUNYLB-UHFFFAOYSA-N 1 0 375.336 2.971 20 0 GFADRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)Cn3ccc(Br)cc3=O)ccc21 ZINC000868725467 662616543 /nfs/dbraw/zinc/61/65/43/662616543.db2.gz JWWOIZAAXMRCNW-MRXNPFEDSA-N 1 0 390.281 2.798 20 0 GFADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NCCSCCC(F)(F)F ZINC000869064738 662628464 /nfs/dbraw/zinc/62/84/64/662628464.db2.gz SREUEYGMRRABIG-ZDUSSCGKSA-N 1 0 383.480 2.567 20 0 GFADRO Cc1nc(-c2cccs2)c(CC(=O)N[C@H]2CC[N@H+](CC(C)(C)O)C2)s1 ZINC000869775492 662661225 /nfs/dbraw/zinc/66/12/25/662661225.db2.gz NHQQWEVEBXXTNP-ZDUSSCGKSA-N 1 0 379.551 2.684 20 0 GFADRO Cc1n[nH]c(C(=O)NCC2(c3ccccc3)CC[NH+](C)CC2)c1Br ZINC000870191425 662677810 /nfs/dbraw/zinc/67/78/10/662677810.db2.gz WVYNIUICRPLETA-UHFFFAOYSA-N 1 0 391.313 2.874 20 0 GFADRO CC[C@@H](C[NH+](C)C)OC(=O)CCNC(=O)c1cc(F)ccc1Br ZINC000870555030 662694574 /nfs/dbraw/zinc/69/45/74/662694574.db2.gz PEEZABXYGPSUJE-LBPRGKRZSA-N 1 0 389.265 2.592 20 0 GFADRO [NH3+][C@H]1CC[C@@H](C(=O)NCc2nnc3c(Cl)cc(C(F)(F)F)cn23)CC1 ZINC000870867734 662703917 /nfs/dbraw/zinc/70/39/17/662703917.db2.gz KHTWDXFCTDIUKS-WAAGHKOSSA-N 1 0 375.782 2.535 20 0 GFADRO C[C@@H]1[C@H](C(=O)Nc2ccc(N3CC[C@H](CO)C3)c(Br)c2)CC[N@@H+]1C ZINC000870888468 662705456 /nfs/dbraw/zinc/70/54/56/662705456.db2.gz NDZQJMMHKMCVPL-VNHYZAJKSA-N 1 0 396.329 2.546 20 0 GFADRO C[NH+]1CCC(CC(=O)N[C@](C)(CO)Cc2ccc(Br)cc2)CC1 ZINC000870943528 662710050 /nfs/dbraw/zinc/71/00/50/662710050.db2.gz OIEHOTSPYGXUKE-SFHVURJKSA-N 1 0 383.330 2.591 20 0 GFADRO C[C@@]([NH3+])(C(=O)NC[C@H]1CCC12CCOCC2)c1ccc(Br)cc1 ZINC000870961732 662711705 /nfs/dbraw/zinc/71/17/05/662711705.db2.gz MIUVXCVJKMGSTK-PBHICJAKSA-N 1 0 381.314 2.946 20 0 GFADRO COC[C@@H](NC(=O)[C@@H]1C[C@H]1C1CC[NH2+]CC1)c1cccc(Br)c1 ZINC000871008968 662712653 /nfs/dbraw/zinc/71/26/53/662712653.db2.gz SXHWIZZNNLBUNZ-GVDBMIGSSA-N 1 0 381.314 2.889 20 0 GFADRO CC(=O)N[C@H](c1nc([C@@H]2CCC[NH2+]C2)no1)c1cccc(Br)c1 ZINC000871789988 662734145 /nfs/dbraw/zinc/73/41/45/662734145.db2.gz WGGWHRHNCHZGML-OCCSQVGLSA-N 1 0 379.258 2.525 20 0 GFADRO Ic1ccc(-c2nc(C3C[C@H]4CC[C@@H](C3)[NH2+]4)no2)nc1 ZINC000871800161 662734283 /nfs/dbraw/zinc/73/42/83/662734283.db2.gz XCSSQBKGKRUXQS-UQPYNNQESA-N 1 0 382.205 2.734 20 0 GFADRO CC(C)[C@@H]([NH3+])CCN(C)S(=O)(=O)c1cc2c(cc1Cl)CCCC(=O)N2 ZINC000871804352 662734704 /nfs/dbraw/zinc/73/47/04/662734704.db2.gz GBDVEGXFSZQNSM-AWEZNQCLSA-N 1 0 387.933 2.609 20 0 GFADRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2csnc2-c2ccccc2)C[C@H]1C(F)(F)F ZINC000871812846 662735182 /nfs/dbraw/zinc/73/51/82/662735182.db2.gz LPQPZBIMYKXABJ-VXGBXAGGSA-N 1 0 391.440 2.568 20 0 GFADRO [NH3+]C[C@@H]1CN(S(=O)(=O)Cc2cc(Cl)cc(Cl)c2)C[C@@H]1C(F)(F)F ZINC000871813758 662735209 /nfs/dbraw/zinc/73/52/09/662735209.db2.gz KKLPVFCFJZJVND-SKDRFNHKSA-N 1 0 391.242 2.892 20 0 GFADRO [NH3+]C[C@H]1CN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)C[C@@H]1C(F)(F)F ZINC000871814486 662735513 /nfs/dbraw/zinc/73/55/13/662735513.db2.gz VFJQCGORJVYKCP-UWVGGRQHSA-N 1 0 391.242 2.892 20 0 GFADRO NC(=O)[C@H]([NH2+]C[C@H]1CCC12CCOCC2)c1ccc(Br)cc1F ZINC000871920033 662741733 /nfs/dbraw/zinc/74/17/33/662741733.db2.gz BQTYFVBWHCJOIQ-IAQYHMDHSA-N 1 0 385.277 2.911 20 0 GFADRO CC(C)(C)[C@H]1C[C@H]([NH2+]CCNS(=O)(=O)c2ccc(Cl)s2)CCO1 ZINC000872053889 662754840 /nfs/dbraw/zinc/75/48/40/662754840.db2.gz XVELJRZBCRYGRP-VXGBXAGGSA-N 1 0 380.963 2.863 20 0 GFADRO CCN1C[C@H](C[NH2+][C@@H](c2cccc(Br)c2)[C@H]2CCOC2)CC1=O ZINC000872084913 662755631 /nfs/dbraw/zinc/75/56/31/662755631.db2.gz VJXRKHYFFOITQY-YEWWUXTCSA-N 1 0 381.314 2.985 20 0 GFADRO CCN(CC)C(=O)C[NH2+]C1CCN(Cc2ccccc2Br)CC1 ZINC000872122663 662756327 /nfs/dbraw/zinc/75/63/27/662756327.db2.gz XRFJDUDQZPTXIB-UHFFFAOYSA-N 1 0 382.346 2.872 20 0 GFADRO [NH3+]C[C@H]1CN(Cc2cc3c(c(Br)c2)OCO3)C[C@H]1C(F)(F)F ZINC000872148918 662756621 /nfs/dbraw/zinc/75/66/21/662756621.db2.gz LKXPQCRJBPGDHX-VHSXEESVSA-N 1 0 381.192 2.747 20 0 GFADRO CC(C)n1ncc(-c2nc(C3CC[NH2+]CC3)no2)c1I ZINC000872170644 662757222 /nfs/dbraw/zinc/75/72/22/662757222.db2.gz HIQKNDPTBAWFKK-UHFFFAOYSA-N 1 0 387.225 2.586 20 0 GFADRO O[C@H](C[NH2+][C@@H]1C[C@H]1C1CCOCC1)COc1cc(F)cc(Br)c1 ZINC000872240836 662759076 /nfs/dbraw/zinc/75/90/76/662759076.db2.gz UVCKGIXZPDSZHQ-HYVNUMGLSA-N 1 0 388.277 2.733 20 0 GFADRO CN1CCCC[C@@H]([N@H+](C)Cn2ccc(=O)c3cccc(Br)c32)C1=O ZINC000872674956 662784757 /nfs/dbraw/zinc/78/47/57/662784757.db2.gz QNDMHTKKZJXGRH-OAHLLOKOSA-N 1 0 392.297 2.664 20 0 GFADRO Cc1sc(C[NH2+][C@H]2CCO[C@]3(CCS(=O)(=O)C3)C2)cc1Br ZINC000873101253 662799774 /nfs/dbraw/zinc/79/97/74/662799774.db2.gz QBZSFDXECYRJJV-SMDDNHRTSA-N 1 0 394.356 2.645 20 0 GFADRO CN(CCCCCC[NH3+])C(=O)C(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000873109640 662799996 /nfs/dbraw/zinc/79/99/96/662799996.db2.gz AKXZWTWDIYRIHI-UHFFFAOYSA-N 1 0 377.819 2.857 20 0 GFADRO CSc1ccc(NC(=O)C(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)cc1Cl ZINC000873104741 662800004 /nfs/dbraw/zinc/80/00/04/662800004.db2.gz PKBUQWWHHDOZOS-PSASIEDQSA-N 1 0 395.834 2.596 20 0 GFADRO CCO[C@H]1COCC[C@H]1[NH2+]Cc1cccc(F)c1I ZINC000873105500 662800010 /nfs/dbraw/zinc/80/00/10/662800010.db2.gz XNSCUIPBAHFSFH-OLZOCXBDSA-N 1 0 379.213 2.714 20 0 GFADRO CN(CCCCCC[NH3+])C(=O)C(=O)Nc1cc(F)cc(Br)c1F ZINC000873111092 662800178 /nfs/dbraw/zinc/80/01/78/662800178.db2.gz DWSPGGOEWQUCAO-UHFFFAOYSA-N 1 0 392.244 2.643 20 0 GFADRO Cc1ccc(Br)c(F)c1C[NH2+]C1CCC2(CC1)NC(=O)NC2=O ZINC000873124209 662800604 /nfs/dbraw/zinc/80/06/04/662800604.db2.gz DICPZBRSPIICHW-UHFFFAOYSA-N 1 0 384.249 2.507 20 0 GFADRO Cn1c2ccccc2c(Br)c1C[NH2+]C[C@H]1CCCS(=O)(=O)C1 ZINC000873127596 662800694 /nfs/dbraw/zinc/80/06/94/662800694.db2.gz USSBUIYBDQVJMK-GFCCVEGCSA-N 1 0 385.327 2.855 20 0 GFADRO CC(C)(CC[NH2+]Cc1cccc(F)c1I)S(C)(=O)=O ZINC000873132314 662801093 /nfs/dbraw/zinc/80/10/93/662801093.db2.gz OKFGPTWNXRYDGO-UHFFFAOYSA-N 1 0 399.269 2.733 20 0 GFADRO Nc1cnc(C[NH+]2CCC(C(=O)Nc3ccccc3Br)CC2)cn1 ZINC000873208676 662803891 /nfs/dbraw/zinc/80/38/91/662803891.db2.gz RJSINUPJHPAWJO-UHFFFAOYSA-N 1 0 390.285 2.672 20 0 GFADRO CC(=O)Nc1ccc(Cl)c(NC(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)c1 ZINC000873304451 662805071 /nfs/dbraw/zinc/80/50/71/662805071.db2.gz QJXBGVPTGACAMP-MWLCHTKSSA-N 1 0 378.782 2.899 20 0 GFADRO O=C(Nc1ccc(F)cc1I)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000873312040 662805166 /nfs/dbraw/zinc/80/51/66/662805166.db2.gz FDSHELFZULKDTA-JSGCOSHPSA-N 1 0 389.212 2.836 20 0 GFADRO COC(=O)c1c(Br)ccc(NC(=O)N[C@@]23CCC[C@H]2[NH2+]CC3)c1C ZINC000873324499 662805499 /nfs/dbraw/zinc/80/54/99/662805499.db2.gz SOHNIRJNVVRWPI-CXAGYDPISA-N 1 0 396.285 2.950 20 0 GFADRO [NH3+]CC[C@H](NC(=O)NCc1cc(C(F)(F)F)cc(Cl)n1)C(F)(F)F ZINC000873333085 662805733 /nfs/dbraw/zinc/80/57/33/662805733.db2.gz OMXHSQWSSFGCJS-QMMMGPOBSA-N 1 0 378.704 2.833 20 0 GFADRO CCn1ncc(C(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)c1Br ZINC000874101077 662822710 /nfs/dbraw/zinc/82/27/10/662822710.db2.gz AUVAWCGFNLDCPM-CQSZACIVSA-N 1 0 383.265 2.837 20 0 GFADRO COc1c(Cl)cc(NC(=O)C(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3C)cc1Cl ZINC000874364620 662830232 /nfs/dbraw/zinc/83/02/32/662830232.db2.gz MRCZJNAMIJFQTE-KBPBESRZSA-N 1 0 386.279 2.636 20 0 GFADRO CCn1ncc(C(=O)NC[C@@H](C)[N@H+](C)Cc2ccccc2)c1Br ZINC000874454714 662831542 /nfs/dbraw/zinc/83/15/42/662831542.db2.gz KPJIWRMONZFYNF-CYBMUJFWSA-N 1 0 379.302 2.916 20 0 GFADRO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)c1ccc2cncc(Br)c2n1 ZINC000874821938 662837284 /nfs/dbraw/zinc/83/72/84/662837284.db2.gz DZAYXHPDPZMFJU-HUUCEWRRSA-N 1 0 375.270 2.701 20 0 GFADRO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)[C@@H]1CCO[C@H]1c1cncc(Br)c1 ZINC000874822538 662837320 /nfs/dbraw/zinc/83/73/20/662837320.db2.gz BNVRKFJUERRTCU-VQHPVUNQSA-N 1 0 394.313 2.617 20 0 GFADRO Cc1csc(C(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3C)c1I ZINC000874830763 662837780 /nfs/dbraw/zinc/83/77/80/662837780.db2.gz TZJACXBWYQGCJK-MNOVXSKESA-N 1 0 390.290 2.970 20 0 GFADRO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)c1cc(Br)cnc1OCC1CC1 ZINC000874830411 662837854 /nfs/dbraw/zinc/83/78/54/662837854.db2.gz SHNKKVRHZVNGAC-HZPDHXFCSA-N 1 0 394.313 2.942 20 0 GFADRO O=C(NCc1ncc(Br)s1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000876286553 662859012 /nfs/dbraw/zinc/85/90/12/662859012.db2.gz UKSRPLJENIAPDZ-UHFFFAOYSA-N 1 0 387.347 2.923 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2ncc(Br)s2)[C@@H](C)C1 ZINC000876287698 662859086 /nfs/dbraw/zinc/85/90/86/662859086.db2.gz VZTGIVWVKOGLDD-QWRGUYRKSA-N 1 0 375.336 2.777 20 0 GFADRO C[NH+](C)CCN(Cc1ccco1)C(=O)NCc1ncc(Br)s1 ZINC000876287510 662859129 /nfs/dbraw/zinc/85/91/29/662859129.db2.gz REYGQWRCFZIFCM-UHFFFAOYSA-N 1 0 387.303 2.772 20 0 GFADRO [NH3+][C@@H](C(=O)N[C@H]1CCCc2[nH]c(=O)ccc21)c1cccc(Br)c1 ZINC000876573090 662862905 /nfs/dbraw/zinc/86/29/05/662862905.db2.gz UZBBRZKHXJYQJV-GOEBONIOSA-N 1 0 376.254 2.743 20 0 GFADRO Cc1cnn([C@H]2CCC[NH2+]C2)c1C(=O)NCc1cc(F)ccc1Br ZINC000876579748 662863070 /nfs/dbraw/zinc/86/30/70/662863070.db2.gz ZGQJTEHZQPXVPN-AWEZNQCLSA-N 1 0 395.276 2.948 20 0 GFADRO O=C(NC1(c2ccc(Br)cc2)CCOCC1)[C@H](F)[C@@H]1CC[NH2+]C1 ZINC000876611649 662863432 /nfs/dbraw/zinc/86/34/32/662863432.db2.gz NKFOYARHOVAXPQ-IUODEOHRSA-N 1 0 385.277 2.519 20 0 GFADRO C[NH+](C)C[C@H](N)C(=O)N[C@@H](c1ccccc1)c1ccc(Br)cc1 ZINC000876619524 662863561 /nfs/dbraw/zinc/86/35/61/662863561.db2.gz AKQBVVCXRAIAHM-IRXDYDNUSA-N 1 0 376.298 2.544 20 0 GFADRO C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCO[C@@H](c2cccc(Br)c2)C1 ZINC000876627751 662863761 /nfs/dbraw/zinc/86/37/61/662863761.db2.gz JZAZCRLZKZYWFT-NQIYSUJPSA-N 1 0 379.298 2.761 20 0 GFADRO O=C(/C=C/[C@@H]1CCC[NH2+]C1)N1CCO[C@H](c2ccccc2Br)C1 ZINC000876628281 662863795 /nfs/dbraw/zinc/86/37/95/662863795.db2.gz OQWBXFCVHLTEHG-KDCQFRKDSA-N 1 0 379.298 2.905 20 0 GFADRO C[C@H](NC(=O)[C@H](F)[C@H]1CC[NH2+]C1)c1nc(-c2ccc(Br)cc2)no1 ZINC000876704734 662864971 /nfs/dbraw/zinc/86/49/71/662864971.db2.gz DIQFRYKEPKZNJU-XHVZSJERSA-N 1 0 397.248 2.624 20 0 GFADRO C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000876733398 662865488 /nfs/dbraw/zinc/86/54/88/662865488.db2.gz XGAOJWIAMUZALV-BAFFSVARSA-N 1 0 392.341 2.803 20 0 GFADRO O=C(c1ccc2cncc(Br)c2n1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000876841334 662867207 /nfs/dbraw/zinc/86/72/07/662867207.db2.gz PFFGGAZSOHFQIN-QGZVFWFLSA-N 1 0 375.270 2.608 20 0 GFADRO Cn1ncc(C[NH3+])c1C(=O)N[C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1 ZINC000876891262 662867598 /nfs/dbraw/zinc/86/75/98/662867598.db2.gz UKBQUCSSQGWPJV-CYBMUJFWSA-N 1 0 382.295 2.584 20 0 GFADRO [NH3+]C[C@@H]1[C@H](C(=O)N2CCC(Oc3cccc(Br)c3)CC2)C1(F)F ZINC000876896050 662867804 /nfs/dbraw/zinc/86/78/04/662867804.db2.gz SUWJJDFGMRHHFT-ZIAGYGMSSA-N 1 0 389.240 2.659 20 0 GFADRO C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)NCc1nc(-c2cccc(Br)c2)no1 ZINC000876910709 662868016 /nfs/dbraw/zinc/86/80/16/662868016.db2.gz JVYORFSNJBCPBD-SNINOXOHSA-N 1 0 391.269 2.527 20 0 GFADRO CCn1ncc(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)c1Br ZINC000876964665 662868718 /nfs/dbraw/zinc/86/87/18/662868718.db2.gz MCJWFYKIFIDXEY-UKRRQHHQSA-N 1 0 377.286 2.541 20 0 GFADRO COC(=O)c1sc2c(c1Br)CN(C(=O)[C@H]1C[C@@H]([NH3+])C1(C)C)C2 ZINC000876981501 662869244 /nfs/dbraw/zinc/86/92/44/662869244.db2.gz RFOUPKLTYZOCFF-PSASIEDQSA-N 1 0 387.299 2.513 20 0 GFADRO O=C(NCC/C=C\c1ccc(Br)cc1)c1[nH]nc2c1C[NH2+]CC2 ZINC000876991313 662869357 /nfs/dbraw/zinc/86/93/57/662869357.db2.gz KZYHPDFVDAJAST-IWQZZHSRSA-N 1 0 375.270 2.651 20 0 GFADRO O=C(N[C@@H]1CC[NH2+]C12CCC2)c1cnn(-c2ccccc2)c1Br ZINC000877004105 662869524 /nfs/dbraw/zinc/86/95/24/662869524.db2.gz FYYKGDRVYUSYAE-CQSZACIVSA-N 1 0 375.270 2.649 20 0 GFADRO [NH3+]CCCOCCNC(=O)C1(c2cc(Cl)cc(Br)c2)CC1 ZINC000877053593 662870308 /nfs/dbraw/zinc/87/03/08/662870308.db2.gz SKPLEPHNMPHXEI-UHFFFAOYSA-N 1 0 375.694 2.616 20 0 GFADRO CC(C)(C)OC(=O)NC(C)(C)C[NH2+]Cc1cnn2cc(Br)cnc12 ZINC000877075161 662870752 /nfs/dbraw/zinc/87/07/52/662870752.db2.gz JKGDAVDWHLTSQB-UHFFFAOYSA-N 1 0 398.305 2.885 20 0 GFADRO CC(C)(C)OC(=O)N1CC(c2cc(C[NH2+]C[C@H]3CSCCS3)on2)C1 ZINC000877085241 662870899 /nfs/dbraw/zinc/87/08/99/662870899.db2.gz JTHUNAKQKSERMW-AWEZNQCLSA-N 1 0 385.555 2.947 20 0 GFADRO CCO[P@](C)(=O)CC[C@H](C)[NH2+]CCN(C)S(=O)(=O)c1cccs1 ZINC000877115101 662871182 /nfs/dbraw/zinc/87/11/82/662871182.db2.gz IWRKYPQAOWUIQP-ZSEKCTLFSA-N 1 0 382.488 2.681 20 0 GFADRO O=C([C@H](O)c1cc(Cl)cc(Cl)c1)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000877115370 662871218 /nfs/dbraw/zinc/87/12/18/662871218.db2.gz DIARRJKNGOMNCC-DLBZAZTESA-N 1 0 387.307 2.644 20 0 GFADRO CN1CC[C@H]([NH2+]Cc2cccc(S(N)(=O)=O)c2)[C@@H]1c1ccc(Cl)cc1 ZINC000877119146 662871307 /nfs/dbraw/zinc/87/13/07/662871307.db2.gz BQAOAGXEIFZVDO-ROUUACIJSA-N 1 0 379.913 2.522 20 0 GFADRO Cc1cc(Br)c(C(=O)NC[C@H]2C[C@H]([NH3+])C2)cc1Br ZINC000877244235 662872416 /nfs/dbraw/zinc/87/24/16/662872416.db2.gz YEWHFFBBYPVJFY-KYZUINATSA-N 1 0 376.092 2.987 20 0 GFADRO O=C(NCc1cc(Cl)cc(Cl)c1F)c1cn([C@@H]2CCC[NH2+]CC2)nn1 ZINC000877249474 662872554 /nfs/dbraw/zinc/87/25/54/662872554.db2.gz IALAOLXSALRVBI-GFCCVEGCSA-N 1 0 386.258 2.969 20 0 GFADRO Cc1c(C(=O)N2CCC[C@H]3[NH2+]CC[C@@H]32)cnn1-c1ccc(Br)cc1 ZINC000877285498 662873242 /nfs/dbraw/zinc/87/32/42/662873242.db2.gz URZWZMSJZCWGQL-SJORKVTESA-N 1 0 389.297 2.910 20 0 GFADRO COc1ccc(Br)cc1C(=O)CCC(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000877286503 662873281 /nfs/dbraw/zinc/87/32/81/662873281.db2.gz FFJNDVYVLGEXRY-CABCVRRESA-N 1 0 395.297 2.774 20 0 GFADRO O=C(c1cc(=O)[nH]c2ccc(Br)cc21)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000877285656 662873302 /nfs/dbraw/zinc/87/33/02/662873302.db2.gz WMLBYLXLUQOXNA-GJZGRUSLSA-N 1 0 376.254 2.669 20 0 GFADRO O=C(CSc1cccc(Br)c1)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000877331777 662873755 /nfs/dbraw/zinc/87/37/55/662873755.db2.gz QUKJMVBOZUEXBX-AWEZNQCLSA-N 1 0 399.354 2.816 20 0 GFADRO O=C(NC[C@H]1CC2(CO1)CC[NH2+]CC2)c1ccc(Br)c(Cl)c1 ZINC000877330855 662873788 /nfs/dbraw/zinc/87/37/88/662873788.db2.gz HZRBZUZRJOUBQR-GFCCVEGCSA-N 1 0 387.705 2.991 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)c2ccc(Br)c(F)c2F)C[C@@H]1C(F)(F)F ZINC000877354937 662874086 /nfs/dbraw/zinc/87/40/86/662874086.db2.gz JOOGJDUXKJJPTI-SVRRBLITSA-N 1 0 387.146 2.937 20 0 GFADRO Cc1c(Br)cccc1CC(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000877355732 662874191 /nfs/dbraw/zinc/87/41/91/662874191.db2.gz BKCVXOOTAZJDKC-RYUDHWBXSA-N 1 0 379.220 2.896 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)Cc2cc(F)ccc2Br)C[C@H]1C(F)(F)F ZINC000877359365 662874430 /nfs/dbraw/zinc/87/44/30/662874430.db2.gz GOSUIHWNELJGOV-GXSJLCMTSA-N 1 0 383.183 2.726 20 0 GFADRO CN(C)c1nc2sc(C(=O)N3C[C@@H](C[NH3+])[C@H](C(F)(F)F)C3)cc2s1 ZINC000877362235 662874619 /nfs/dbraw/zinc/87/46/19/662874619.db2.gz ZFOQNKKBXHCVHG-HTQZYQBOSA-N 1 0 378.445 2.633 20 0 GFADRO COCCO[C@@H]1C[C@H](CO)C[N@H+](Cc2ccc(C)c(Br)c2C)C1 ZINC000877481676 662876883 /nfs/dbraw/zinc/87/68/83/662876883.db2.gz PHUWWHUKJXCJGE-DOTOQJQBSA-N 1 0 386.330 2.912 20 0 GFADRO COc1ncc(Br)cc1C[NH2+][C@@H](C)[C@H](O)c1ccc2c(c1)OCO2 ZINC000877482603 662876934 /nfs/dbraw/zinc/87/69/34/662876934.db2.gz JVVBBJZFHWCCKP-QFYYESIMSA-N 1 0 395.253 2.793 20 0 GFADRO CCC(CC)(CNC(=O)OC(C)(C)C)C[N@@H+]1CC[C@H](CS(C)(=O)=O)C1 ZINC000877545775 662878666 /nfs/dbraw/zinc/87/86/66/662878666.db2.gz FDRAQOOMVACMGT-HNNXBMFYSA-N 1 0 376.563 2.684 20 0 GFADRO C[N@H+](Cc1cnn2cc(Br)cnc12)C[C@@](C)(O)c1ccccc1 ZINC000877599051 662879634 /nfs/dbraw/zinc/87/96/34/662879634.db2.gz OUYGRRHDBLLVBL-QGZVFWFLSA-N 1 0 375.270 2.831 20 0 GFADRO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C[C@H](O)c1cc(Br)no1 ZINC000878098344 662889906 /nfs/dbraw/zinc/88/99/06/662889906.db2.gz IBBQKJKAQPZFSN-HIFRSBDPSA-N 1 0 380.286 2.677 20 0 GFADRO CCOC(=O)CC[C@@H]1CCC[N@H+](C[C@H](O)c2cc(Br)no2)C1 ZINC000878292915 662893366 /nfs/dbraw/zinc/89/33/66/662893366.db2.gz CCVCQJYQXUWNOJ-RYUDHWBXSA-N 1 0 375.263 2.526 20 0 GFADRO C[C@H]1CN(C[C@@H](O)c2ccc(Cl)c(Cl)c2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000878324873 662893855 /nfs/dbraw/zinc/89/38/55/662893855.db2.gz PMJHKYMZDBSTFR-GDIGMMSISA-N 1 0 386.367 2.985 20 0 GFADRO C[C@H]1CN(C[C@@H](O)c2ccc(Cl)c(Cl)c2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000878324885 662893909 /nfs/dbraw/zinc/89/39/09/662893909.db2.gz PMJHKYMZDBSTFR-ZOCIIQOWSA-N 1 0 386.367 2.985 20 0 GFADRO COc1cc(F)c([C@H](C)[NH2+]C[C@@H](O)c2cc(Br)no2)cc1OC ZINC000878364017 662894580 /nfs/dbraw/zinc/89/45/80/662894580.db2.gz MTWPMULHZKREFI-GZMMTYOYSA-N 1 0 389.221 2.978 20 0 GFADRO OC[C@H]([NH2+]C[C@@H](O)C[C@@H](O)c1ccccc1)c1cccc(Br)c1 ZINC000878397993 662895359 /nfs/dbraw/zinc/89/53/59/662895359.db2.gz UJBQMAJMKIVWBY-OKZBNKHCSA-N 1 0 380.282 2.557 20 0 GFADRO C[C@@](CO)([NH2+]C[C@H](O)CC1(O)CCCCC1)c1ccc(Br)cc1 ZINC000878603061 662899968 /nfs/dbraw/zinc/89/99/68/662899968.db2.gz OTSCNSUFTKIXPP-SJORKVTESA-N 1 0 386.330 2.692 20 0 GFADRO O=S(=O)(CCN1CCCN(c2cc[nH+]cc2)CC1)c1ccc(Cl)cc1 ZINC000878744366 662904090 /nfs/dbraw/zinc/90/40/90/662904090.db2.gz JJPZZNPFDWCVKY-UHFFFAOYSA-N 1 0 379.913 2.721 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(C(=O)Nc3ccc([S@](=O)C(F)(F)F)cc3)CC[C@H]21 ZINC000878879412 662908253 /nfs/dbraw/zinc/90/82/53/662908253.db2.gz SRMXLFMGDJNEBN-KPMDBSTASA-N 1 0 375.416 2.872 20 0 GFADRO CC(C)[NH+]1CCC(CCNC(=O)Nc2cc(Br)c(=O)n(C)c2)CC1 ZINC000878928061 662909934 /nfs/dbraw/zinc/90/99/34/662909934.db2.gz KZVRVCNTKKPRGX-UHFFFAOYSA-N 1 0 399.333 2.780 20 0 GFADRO C[N@H+](CCc1ccccc1)[C@H]1CCN(C[C@@H](O)c2cc(Br)no2)C1 ZINC000878935545 662910290 /nfs/dbraw/zinc/91/02/90/662910290.db2.gz CMNWKKJXDIQQNT-JKSUJKDBSA-N 1 0 394.313 2.719 20 0 GFADRO O[C@H](C[N@@H+]1CCC[C@@H](n2ccnn2)CC1)c1ccc(F)c(Br)c1 ZINC000878942407 662910393 /nfs/dbraw/zinc/91/03/93/662910393.db2.gz YABTZZLJQJFILL-CZUORRHYSA-N 1 0 383.265 2.940 20 0 GFADRO COCCN(CC1CC[NH+](C)CC1)C(=O)Nc1ccc(Br)c(C)n1 ZINC000879204615 662920624 /nfs/dbraw/zinc/92/06/24/662920624.db2.gz ZEIOFQRZUYAYJJ-UHFFFAOYSA-N 1 0 399.333 2.975 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(Cc3nc(Cc4cccc(Br)c4)no3)CC[C@H]21 ZINC000879571803 662929699 /nfs/dbraw/zinc/92/96/99/662929699.db2.gz CEGIGIVXKVKLHH-GDBMZVCRSA-N 1 0 391.313 2.949 20 0 GFADRO Cn1nc(Br)cc1NC(=O)N(CC[NH+](C)C)Cc1ccsc1 ZINC000879638184 662931276 /nfs/dbraw/zinc/93/12/76/662931276.db2.gz MZQFMPBUFWJPIC-UHFFFAOYSA-N 1 0 386.319 2.840 20 0 GFADRO Cn1nc(Br)cc1NC(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000879641949 662932324 /nfs/dbraw/zinc/93/23/24/662932324.db2.gz GYEDJGXDOGNUSB-UHFFFAOYSA-N 1 0 384.322 2.959 20 0 GFADRO CN1CC[NH+](C2CCN(C(=O)Nc3cscc3Br)CC2)CC1 ZINC000879743780 662938503 /nfs/dbraw/zinc/93/85/03/662938503.db2.gz HRENHFMKYQCIAF-UHFFFAOYSA-N 1 0 387.347 2.754 20 0 GFADRO Cc1cc(Br)nc(NC(=O)N2CCC[C@H]([NH2+]C3CCOCC3)C2)c1 ZINC000879846255 662940627 /nfs/dbraw/zinc/94/06/27/662940627.db2.gz WJQLQSVUAGEERT-AWEZNQCLSA-N 1 0 397.317 2.917 20 0 GFADRO O[C@@H](CN1CCC[C@@H]([NH2+]C2CCOCC2)C1)c1ccccc1Br ZINC000880203812 662954488 /nfs/dbraw/zinc/95/44/88/662954488.db2.gz MXVHYQZUXGDXIX-QAPCUYQASA-N 1 0 383.330 2.716 20 0 GFADRO O[C@@H](C[NH2+][C@@]1(c2ccc(Br)cc2)C[C@@H](O)C1)COCc1ccco1 ZINC000880221118 662955290 /nfs/dbraw/zinc/95/52/90/662955290.db2.gz KECCGFQYRRQDCW-XYJFISCASA-N 1 0 396.281 2.559 20 0 GFADRO C[N@@H+]1CC[C@H]2CN(C(=O)Nc3nnc(C(F)(F)C(F)(F)F)s3)CC[C@H]21 ZINC000880226929 662955738 /nfs/dbraw/zinc/95/57/38/662955738.db2.gz UUALSUJNDCJOOJ-JGVFFNPUSA-N 1 0 385.362 2.750 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(C(=O)Nc3nnc(C(F)(F)C(F)(F)F)s3)CC[C@@H]21 ZINC000880226931 662955809 /nfs/dbraw/zinc/95/58/09/662955809.db2.gz UUALSUJNDCJOOJ-SFYZADRCSA-N 1 0 385.362 2.750 20 0 GFADRO CCOC(=O)c1csc(CC2CC[NH+](C[C@H](O)CC(F)(F)F)CC2)n1 ZINC000880263842 662956684 /nfs/dbraw/zinc/95/66/84/662956684.db2.gz WFEFHOLEDJQFPQ-GFCCVEGCSA-N 1 0 380.432 2.888 20 0 GFADRO CC(=O)N1C[C@@H]2C[N@@H+](Cc3cc4c(cc3Br)OCCCO4)C[C@@H]2C1 ZINC000880312271 662957892 /nfs/dbraw/zinc/95/78/92/662957892.db2.gz XCKAFNXDLWDPSI-GASCZTMLSA-N 1 0 395.297 2.521 20 0 GFADRO C[NH+](C)C1(CNC(=O)c2cc(Br)nn2-c2ncccc2Cl)CC1 ZINC000880314302 662957910 /nfs/dbraw/zinc/95/79/10/662957910.db2.gz YZEDRCPYVOXOEX-UHFFFAOYSA-N 1 0 398.692 2.507 20 0 GFADRO OC[C@@H]([NH2+]C[C@@H](O)C[C@@H](O)c1ccccc1)c1ccc(Br)cc1 ZINC000880331389 662958208 /nfs/dbraw/zinc/95/82/08/662958208.db2.gz YWMJNBHRFALNJU-RCCFBDPRSA-N 1 0 380.282 2.557 20 0 GFADRO CC1([NH+]2CCC2)CCN([C@@H](C(N)=O)c2ccc(Br)cc2F)CC1 ZINC000880474735 662960587 /nfs/dbraw/zinc/96/05/87/662960587.db2.gz LFHLHJSESQZUIC-OAHLLOKOSA-N 1 0 384.293 2.675 20 0 GFADRO Clc1ccc(-n2cc(C[NH+]3CCC4(CC3)COCCO4)nn2)cc1Cl ZINC000880546626 662962264 /nfs/dbraw/zinc/96/22/64/662962264.db2.gz WYSDCRXAJBGTFZ-UHFFFAOYSA-N 1 0 383.279 2.956 20 0 GFADRO O[C@@H](COc1ccc(Cl)cc1Cl)C[N@@H+]1C[C@H](O)CC2(CCOCC2)C1 ZINC000880588387 662963348 /nfs/dbraw/zinc/96/33/48/662963348.db2.gz FAEUWZXJBFOKCG-HUUCEWRRSA-N 1 0 390.307 2.597 20 0 GFADRO O[C@@H](COc1ccc(Cl)c(Cl)c1)C[N@@H+]1C[C@H](O)CC2(CCOCC2)C1 ZINC000880588901 662963690 /nfs/dbraw/zinc/96/36/90/662963690.db2.gz YKOVHSUQRDMXOL-ZIAGYGMSSA-N 1 0 390.307 2.597 20 0 GFADRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)Nc1cccc(F)c1Br ZINC000881138495 662982609 /nfs/dbraw/zinc/98/26/09/662982609.db2.gz LWDKIDLEQUEMHS-LLVKDONJSA-N 1 0 388.281 2.897 20 0 GFADRO C[C@](O)(Cn1cc([C@@H]2CCC[NH2+]C2)nn1)c1ccc(Br)cc1F ZINC000881424269 662993784 /nfs/dbraw/zinc/99/37/84/662993784.db2.gz LWULAVIBPFCAKS-BZNIZROVSA-N 1 0 383.265 2.554 20 0 GFADRO O=C(c1ccc(F)c(Br)c1)N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000881471799 662995384 /nfs/dbraw/zinc/99/53/84/662995384.db2.gz BMRLJJFBFSRUSF-AWEZNQCLSA-N 1 0 385.277 2.961 20 0 GFADRO COc1cc(C(=O)N2CCN(c3cc[nH+]cc3)[C@@H](C)C2)cnc1Br ZINC000881634164 662998496 /nfs/dbraw/zinc/99/84/96/662998496.db2.gz WLXFAOWCJOOILY-LBPRGKRZSA-N 1 0 391.269 2.599 20 0 GFADRO CN(C[C@H]1CCC[N@H+](C)C1)S(=O)(=O)c1cnc(Cl)cc1C(F)(F)F ZINC000881900851 663008867 /nfs/dbraw/zinc/00/88/67/663008867.db2.gz DGZDIVVHIYZLHQ-JTQLQIEISA-N 1 0 385.839 2.716 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(c2ccc3nnc(Br)n3n2)C1 ZINC000881982645 663012153 /nfs/dbraw/zinc/01/21/53/663012153.db2.gz DKSNYQOYZBHRLY-KGLIPLIRSA-N 1 0 393.333 2.978 20 0 GFADRO O=S(=O)(CC[C@@H]1CC1(Cl)Cl)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000882006195 663013318 /nfs/dbraw/zinc/01/33/18/663013318.db2.gz LGZLIPDAJDZKNH-NFAWXSAZSA-N 1 0 381.369 2.849 20 0 GFADRO C[C@H](Nc1ccc2nnc(Br)n2n1)[C@@H](c1ccccc1)[NH+](C)C ZINC000882284551 663023481 /nfs/dbraw/zinc/02/34/81/663023481.db2.gz WGXNNYZJGWXMIX-NHYWBVRUSA-N 1 0 375.274 2.990 20 0 GFADRO CN(CC[NH+]1CCCCC1)S(=O)(=O)c1cnc(Cl)cc1C(F)(F)F ZINC000882326789 663024504 /nfs/dbraw/zinc/02/45/04/663024504.db2.gz HDDOGWHAQFUIIQ-UHFFFAOYSA-N 1 0 385.839 2.860 20 0 GFADRO CCC1([NH+]2CCCCC2)CCN(S(=O)(=O)c2c(C)nn(C)c2Cl)CC1 ZINC000882618410 663033455 /nfs/dbraw/zinc/03/34/55/663033455.db2.gz OUVDWWQCTSDTQH-UHFFFAOYSA-N 1 0 388.965 2.801 20 0 GFADRO C[C@H](Cc1cnccn1)[NH2+][C@@H]1CCc2cc(Br)ccc2NC1=O ZINC000883377562 663054455 /nfs/dbraw/zinc/05/44/55/663054455.db2.gz KWIMBHLWTNTADW-BDJLRTHQSA-N 1 0 375.270 2.713 20 0 GFADRO O=C1Nc2ccc(Br)cc2CC[C@H]1[NH2+]Cc1cnn2c1CCC2 ZINC000883386948 663054676 /nfs/dbraw/zinc/05/46/76/663054676.db2.gz OZBKKUFINUXQAK-OAHLLOKOSA-N 1 0 375.270 2.635 20 0 GFADRO COc1cc(OC)c(NC(=O)CN(CCC[NH3+])CC(F)(F)F)cc1Cl ZINC000883443474 663055266 /nfs/dbraw/zinc/05/52/66/663055266.db2.gz SDFGAWOIKCZGDT-UHFFFAOYSA-N 1 0 383.798 2.509 20 0 GFADRO CCC1([NH3+])CCN(S(=O)(=O)Cc2cccc(Br)c2C)CC1 ZINC000883482889 663056076 /nfs/dbraw/zinc/05/60/76/663056076.db2.gz MMTFXUYRIVCGAN-UHFFFAOYSA-N 1 0 375.332 2.791 20 0 GFADRO CCC1([NH3+])CCN(S(=O)(=O)c2ccc(Cl)cc2Br)CC1 ZINC000883483947 663056158 /nfs/dbraw/zinc/05/61/58/663056158.db2.gz ZSLOTONAOVZXGM-UHFFFAOYSA-N 1 0 381.723 2.995 20 0 GFADRO CCOc1ccc(S(=O)(=O)N2CCC([NH3+])(CC)CC2)cc1Br ZINC000883483836 663056213 /nfs/dbraw/zinc/05/62/13/663056213.db2.gz VMZJQDCMJDSZKI-UHFFFAOYSA-N 1 0 391.331 2.740 20 0 GFADRO C[NH2+][C@@H]1CCCN(C(=O)c2cc(Br)nn2-c2ncccc2Cl)C1 ZINC000884021115 663064003 /nfs/dbraw/zinc/06/40/03/663064003.db2.gz RZLKEJFBQXYLCO-SNVBAGLBSA-N 1 0 398.692 2.507 20 0 GFADRO CCCN(CC(=O)Nc1ccc(Cl)cc1Cl)C(=O)[C@H]([NH3+])CCOC ZINC000884053914 663064268 /nfs/dbraw/zinc/06/42/68/663064268.db2.gz LEYRUOBEEUFLJS-CYBMUJFWSA-N 1 0 376.284 2.534 20 0 GFADRO CS(=O)(=O)CC[C@H]([NH3+])C(=O)Nc1ccccc1SCc1ccccc1 ZINC000884058826 663064444 /nfs/dbraw/zinc/06/44/44/663064444.db2.gz WNNSRVGLEWLBCL-HNNXBMFYSA-N 1 0 378.519 2.679 20 0 GFADRO [NH3+][C@H](C(=O)N[C@H]1CCCc2[nH]c(=O)ccc21)c1ccc(Br)cc1 ZINC000884065174 663064557 /nfs/dbraw/zinc/06/45/57/663064557.db2.gz GPGINQSEZNNWHD-HOCLYGCPSA-N 1 0 376.254 2.743 20 0 GFADRO CN(Cc1csc(Br)c1)C(=O)c1ccnc(N2CC[NH2+]CC2)c1 ZINC000884097981 663065127 /nfs/dbraw/zinc/06/51/27/663065127.db2.gz WOGGXTGWYRJUJC-UHFFFAOYSA-N 1 0 395.326 2.587 20 0 GFADRO CC1(C)C[NH2+]C[C@H]1C(=O)NC[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000884197876 663066882 /nfs/dbraw/zinc/06/68/82/663066882.db2.gz HKSAPQLJHYSYAS-CJNGLKHVSA-N 1 0 380.330 2.637 20 0 GFADRO CC1(C)C[NH2+]C[C@@H]1C(=O)NC[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000884197878 663066889 /nfs/dbraw/zinc/06/68/89/663066889.db2.gz HKSAPQLJHYSYAS-XJKSGUPXSA-N 1 0 380.330 2.637 20 0 GFADRO [NH3+][C@H](C(=O)Nc1cccc(N2CCOCC2)c1)c1ccc(Br)cc1 ZINC000884197340 663066895 /nfs/dbraw/zinc/06/68/95/663066895.db2.gz QRMDBJCPTDRWQP-KRWDZBQOSA-N 1 0 390.281 2.924 20 0 GFADRO Cc1csc(C[C@@H]2CCCN(C(=O)NC[C@@]3([NH+](C)C)CCSC3)C2)n1 ZINC000884196952 663066950 /nfs/dbraw/zinc/06/69/50/663066950.db2.gz GPCUXMMLGRQCKJ-YJBOKZPZSA-N 1 0 382.599 2.853 20 0 GFADRO CO[C@H](C)c1nc(CNC(=O)[C@@H]([NH3+])c2ccc(Br)cc2)cs1 ZINC000884232507 663067406 /nfs/dbraw/zinc/06/74/06/663067406.db2.gz UDAPAIJACITAMY-RNCFNFMXSA-N 1 0 384.299 2.929 20 0 GFADRO COCC[C@@H]([NH3+])C(=O)N[C@@H](Cc1ccccn1)c1ccc(Br)cc1 ZINC000884308700 663068597 /nfs/dbraw/zinc/06/85/97/663068597.db2.gz AGTAIOVVCXKCQH-SJORKVTESA-N 1 0 392.297 2.608 20 0 GFADRO CCc1nn(C)c(CC)c1CNC(=O)[C@@H]([NH3+])c1ccc(Br)cc1 ZINC000884327576 663068958 /nfs/dbraw/zinc/06/89/58/663068958.db2.gz XEZHIZVGRWOPIH-INIZCTEOSA-N 1 0 379.302 2.624 20 0 GFADRO C[C@H](NC(=O)[C@@H]([NH3+])c1ccc(Br)cc1)[C@H](O)Cc1ccccc1 ZINC000884328476 663069024 /nfs/dbraw/zinc/06/90/24/663069024.db2.gz QTOSNXGZOSFSFW-VUCTXSBTSA-N 1 0 377.282 2.557 20 0 GFADRO C[C@H]1CC[C@@H](NC(=O)c2cc(Br)nn2-c2ncccc2Cl)C[NH2+]1 ZINC000884438373 663070782 /nfs/dbraw/zinc/07/07/82/663070782.db2.gz ZDVLYXGSJLAJSP-VHSXEESVSA-N 1 0 398.692 2.554 20 0 GFADRO O=C(Cc1csc(-c2sccc2Br)n1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000884458011 663070993 /nfs/dbraw/zinc/07/09/93/663070993.db2.gz TYUMEBOJNHPKQR-WPRPVWTQSA-N 1 0 384.324 2.749 20 0 GFADRO O=S(=O)(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1c(F)cccc1OC(F)(F)F ZINC000884956738 663079602 /nfs/dbraw/zinc/07/96/02/663079602.db2.gz FGMJVFUQWZHSOR-QWRGUYRKSA-N 1 0 382.379 2.629 20 0 GFADRO C[C@H](C(=O)NC[C@H]1CC[N@@H+]1C1CCOCC1)c1cccc(Br)c1 ZINC000885886210 663100541 /nfs/dbraw/zinc/10/05/41/663100541.db2.gz SXQPHIFLFMSZSP-SUMWQHHRSA-N 1 0 381.314 2.922 20 0 GFADRO COc1ccc(C[C@H](CO)C[NH2+]Cc2[nH]nc(C)c2C)cc1Br ZINC000886135920 663103741 /nfs/dbraw/zinc/10/37/41/663103741.db2.gz AECPROJTHDSGLH-AWEZNQCLSA-N 1 0 382.302 2.738 20 0 GFADRO O[C@@H]1CC[C@@H]([NH2+]Cc2cccc(Br)c2OC(F)F)CC[C@@H]1O ZINC000886260093 663106265 /nfs/dbraw/zinc/10/62/65/663106265.db2.gz OVMCACTWTJSANO-UOJUARBOSA-N 1 0 380.229 2.805 20 0 GFADRO O[C@H](COc1ccc(Br)cc1)C[N@@H+]1CCC[C@H](c2ncccn2)C1 ZINC000886672338 663115430 /nfs/dbraw/zinc/11/54/30/663115430.db2.gz MOQNJCDSUPVYTP-HOCLYGCPSA-N 1 0 392.297 2.858 20 0 GFADRO Cn1ccn2c(CC[NH2+][C@@H]3CCc4c3ccc(Cl)c4Cl)nnc2c1=O ZINC000886696026 663115825 /nfs/dbraw/zinc/11/58/25/663115825.db2.gz FCDBSSCAFPEKDT-CYBMUJFWSA-N 1 0 378.263 2.554 20 0 GFADRO OCCOCC1(O)CC[NH+](Cc2cc(Br)c3ccccc3c2)CC1 ZINC000886753323 663117166 /nfs/dbraw/zinc/11/71/66/663117166.db2.gz HOASOLLQQSIPNP-UHFFFAOYSA-N 1 0 394.309 2.938 20 0 GFADRO O[C@H](COc1cc(F)cc(Br)c1)C[N@@H+]1CC[C@H]([C@@H]2CCCO2)C1 ZINC000886822389 663120574 /nfs/dbraw/zinc/12/05/74/663120574.db2.gz PYUIQHNQGCSRTO-NUTKFTJISA-N 1 0 388.277 2.829 20 0 GFADRO O=C(NC1(c2ncc(Br)cn2)CCC1)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000886842106 663122394 /nfs/dbraw/zinc/12/23/94/663122394.db2.gz IBOVJKBBUDTCTD-KGLIPLIRSA-N 1 0 379.302 2.751 20 0 GFADRO Cc1cc(Cl)cc(C)c1S(=O)(=O)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000886887916 663123472 /nfs/dbraw/zinc/12/34/72/663123472.db2.gz LDHJBSZTHQJHAK-XIRDDKMYSA-N 1 0 386.945 2.864 20 0 GFADRO O=S(=O)(NC[C@H]1C[NH2+]CCC1(F)F)c1ccc(SC(F)(F)F)cc1 ZINC000886896653 663124055 /nfs/dbraw/zinc/12/40/55/663124055.db2.gz PWGYACHTPFAJFJ-SECBINFHSA-N 1 0 390.399 2.822 20 0 GFADRO CCOc1c(Br)cc(C(=O)N2C[C@@H]3C[N@H+](C)C[C@]3(C)C2)cc1OC ZINC000887938928 663170952 /nfs/dbraw/zinc/17/09/52/663170952.db2.gz GWYDMNKUEWMTRG-SCLBCKFNSA-N 1 0 397.313 2.880 20 0 GFADRO COc1ccc(Br)c2[nH]c(C(=O)N3C[C@@H]4C[N@H+](C)C[C@]4(C)C3)cc21 ZINC000887936802 663170975 /nfs/dbraw/zinc/17/09/75/663170975.db2.gz ZKDUYXZUDUHGSR-BBATYDOGSA-N 1 0 392.297 2.963 20 0 GFADRO Cc1nccc(NC(=O)N2CCN(c3cc[nH+]cc3)C[C@@H]2C)c1Br ZINC000888008687 663174629 /nfs/dbraw/zinc/17/46/29/663174629.db2.gz GIRMJHBHVWGWNA-LBPRGKRZSA-N 1 0 390.285 2.712 20 0 GFADRO O=C(NC[C@H]1CCC[N@H+](Cc2cccs2)C1)N[C@H](CCO)C(F)(F)F ZINC000888010433 663174977 /nfs/dbraw/zinc/17/49/77/663174977.db2.gz ADTISILNFGQITR-TZMCWYRMSA-N 1 0 379.448 2.573 20 0 GFADRO C[NH+]1CCC2(CC1)CN(C(=O)Nc1nc3ccc(Cl)nc3s1)CCO2 ZINC000888793853 663216812 /nfs/dbraw/zinc/21/68/12/663216812.db2.gz ZBWKOZLRARPBDV-UHFFFAOYSA-N 1 0 381.889 2.673 20 0 GFADRO Cc1c(Br)cc(F)cc1C(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000889739721 663262175 /nfs/dbraw/zinc/26/21/75/663262175.db2.gz NMNFVLDXQRRQDZ-JKSUJKDBSA-N 1 0 385.277 2.568 20 0 GFADRO Cc1c(F)c(Br)ccc1C(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000889748745 663262747 /nfs/dbraw/zinc/26/27/47/663262747.db2.gz HIVXKJFLUOCHML-LSDHHAIUSA-N 1 0 385.277 2.568 20 0 GFADRO O=C(c1ccc(Br)c(Cl)c1)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000889760530 663264567 /nfs/dbraw/zinc/26/45/67/663264567.db2.gz AKHZLIOARHHWAV-LSDHHAIUSA-N 1 0 387.705 2.774 20 0 GFADRO O=C(N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO)C1(c2cccc(Br)c2)CC1 ZINC000889773568 663265685 /nfs/dbraw/zinc/26/56/85/663265685.db2.gz BYEUDGZVYSXKMX-SJORKVTESA-N 1 0 393.325 2.538 20 0 GFADRO O=C(c1cc(Br)c2nccn2c1)N1CCC([NH2+]C2CCC2)CC1 ZINC000889820465 663270195 /nfs/dbraw/zinc/27/01/95/663270195.db2.gz DYJCXIVMWWFOHX-UHFFFAOYSA-N 1 0 377.286 2.844 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)NCc2cc(F)ccc2Br)C[C@H]1C(F)(F)F ZINC000891394069 663338258 /nfs/dbraw/zinc/33/82/58/663338258.db2.gz GVGRGRXSCJVMJP-MWLCHTKSSA-N 1 0 398.198 2.867 20 0 GFADRO C[C@H]1C[C@@H]([NH3+])CN1C(=O)NCC1(c2ccc(Br)cc2)CCOCC1 ZINC000891478036 663340630 /nfs/dbraw/zinc/34/06/30/663340630.db2.gz HHBLPVYIMDYZTI-XJKSGUPXSA-N 1 0 396.329 2.628 20 0 GFADRO [NH3+]Cc1nc2c(s1)CCN(C(=O)NCc1ccc(Br)c(F)c1)C2 ZINC000891544971 663343422 /nfs/dbraw/zinc/34/34/22/663343422.db2.gz UYYCOJNCGTZRNO-UHFFFAOYSA-N 1 0 399.289 2.771 20 0 GFADRO [NH3+]Cc1nc2c(s1)CCN(C(=O)NCCc1ccc(Br)cc1)C2 ZINC000891567509 663344100 /nfs/dbraw/zinc/34/41/00/663344100.db2.gz HHGNCPNZHMGAKN-UHFFFAOYSA-N 1 0 395.326 2.675 20 0 GFADRO O=C(NCc1ccc(O)c(Br)c1)NCc1cccc2c1CC[NH2+]C2 ZINC000891691403 663347722 /nfs/dbraw/zinc/34/77/22/663347722.db2.gz MJLYBEGURLQMEY-UHFFFAOYSA-N 1 0 390.281 2.800 20 0 GFADRO CCOc1ccc(Cl)cc1CCNC(=O)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000891716166 663348348 /nfs/dbraw/zinc/34/83/48/663348348.db2.gz KQBKWLLZRZPPQE-ZDUSSCGKSA-N 1 0 375.847 2.825 20 0 GFADRO C[C@H](Cc1cc(Br)ccc1F)NC(=O)NCc1cc(N)cc[nH+]1 ZINC000891715054 663348401 /nfs/dbraw/zinc/34/84/01/663348401.db2.gz MPCCMRYBDUUKNX-SNVBAGLBSA-N 1 0 381.249 2.996 20 0 GFADRO CC[NH+]1CCN([C@H](C)CNc2ncc(Br)c3cccnc32)CC1 ZINC000891829554 663352160 /nfs/dbraw/zinc/35/21/60/663352160.db2.gz NTBXRAQWKOLIRR-CYBMUJFWSA-N 1 0 378.318 2.830 20 0 GFADRO O=C(NCc1ccn(-c2ccc(Br)cc2)n1)N[C@H]1CCC[NH2+]CC1 ZINC000892082646 663361164 /nfs/dbraw/zinc/36/11/64/663361164.db2.gz MLIPVCLJKYGYDI-AWEZNQCLSA-N 1 0 392.301 2.576 20 0 GFADRO [NH3+]C[C@H]1CC[C@H](NC(=O)NCc2ccn(-c3ccc(Br)cc3)n2)C1 ZINC000892175649 663364537 /nfs/dbraw/zinc/36/45/37/663364537.db2.gz MSTOPWIKHSFMFJ-JSGCOSHPSA-N 1 0 392.301 2.561 20 0 GFADRO O=C(NCc1ccsc1C(F)(F)F)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000892319401 663368918 /nfs/dbraw/zinc/36/89/18/663368918.db2.gz HLVJEZKIZGVZTJ-GFCCVEGCSA-N 1 0 377.432 2.725 20 0 GFADRO CC1(C)C[NH2+]CC[C@@H](NC(=O)N[C@H](CCO)c2ccccc2Br)C1 ZINC000892491190 663375462 /nfs/dbraw/zinc/37/54/62/663375462.db2.gz GCZJHSNLYIXLGN-CZUORRHYSA-N 1 0 398.345 2.950 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)NCCSCCC(F)(F)F)CC[C@@H]1C(F)(F)F ZINC000892541792 663376947 /nfs/dbraw/zinc/37/69/47/663376947.db2.gz FZRGELIRVHXBPA-UWVGGRQHSA-N 1 0 381.386 2.841 20 0 GFADRO [NH3+][C@H]1C[C@H](CNC(=O)N2CCC[C@@H]2C(=O)Nc2cc(Cl)cc(Cl)c2)C1 ZINC000892583415 663377905 /nfs/dbraw/zinc/37/79/05/663377905.db2.gz QDDJWAKZFULMLV-WDBKCZKBSA-N 1 0 385.295 2.843 20 0 GFADRO Brc1cnc(N2CC[NH+](CC3CCOCC3)CC2)c2ncccc12 ZINC000892602953 663378498 /nfs/dbraw/zinc/37/84/98/663378498.db2.gz ICKNBJMFHJALHY-UHFFFAOYSA-N 1 0 391.313 2.941 20 0 GFADRO COc1nccc(C[NH2+]CCNC(=O)c2ccc(Br)cc2)c1F ZINC000892657449 663380242 /nfs/dbraw/zinc/38/02/42/663380242.db2.gz LWIXVOIEGDYLAR-UHFFFAOYSA-N 1 0 382.233 2.511 20 0 GFADRO Cn1ncc(Br)c1CC(=O)N1C[C@@H]([NH+](C)C)CCc2ccccc21 ZINC000892860165 663386922 /nfs/dbraw/zinc/38/69/22/663386922.db2.gz JZDHBJIWNHHQPI-AWEZNQCLSA-N 1 0 391.313 2.635 20 0 GFADRO C[C@H](C[NH2+][C@@H](C)[C@@H]1CCS(=O)(=O)C1)Oc1ccc(Br)cc1 ZINC000893076733 663395951 /nfs/dbraw/zinc/39/59/51/663395951.db2.gz FKCTXMYQHLMEHJ-FRRDWIJNSA-N 1 0 376.316 2.629 20 0 GFADRO O=S(=O)(N1CCC([NH2+]Cc2csc(C(F)(F)F)n2)CC1)C(F)(F)F ZINC000893155664 663399258 /nfs/dbraw/zinc/39/92/58/663399258.db2.gz KHHYKJJMBFAEPF-UHFFFAOYSA-N 1 0 397.366 2.566 20 0 GFADRO CC(C)[NH2+][C@@H]1CCCN(C(=O)C(F)(F)c2ncccc2Br)C1 ZINC000893801816 663425296 /nfs/dbraw/zinc/42/52/96/663425296.db2.gz VHVIIIOFDPBGMC-LLVKDONJSA-N 1 0 376.245 2.925 20 0 GFADRO CC[NH+](CC)CCOc1ccccc1NCc1nc(Br)nn1C ZINC000894117075 663443710 /nfs/dbraw/zinc/44/37/10/663443710.db2.gz LEOKNMFXDBUUQP-UHFFFAOYSA-N 1 0 382.306 2.910 20 0 GFADRO Clc1nc(N2CCOCC2)sc1C[NH2+]C[C@@H]1COc2ccccc2C1 ZINC000894137981 663444896 /nfs/dbraw/zinc/44/48/96/663444896.db2.gz WAGZBGQCOQWODI-CYBMUJFWSA-N 1 0 379.913 2.974 20 0 GFADRO COC(=O)[C@H]1CCCC[C@]1(C)[NH2+]Cc1sc(N2CCOCC2)nc1Cl ZINC000894140717 663445214 /nfs/dbraw/zinc/44/52/14/663445214.db2.gz OLSLHBGRCBYODR-PXAZEXFGSA-N 1 0 387.933 2.845 20 0 GFADRO Cn1cc(C[NH2+]C[C@@H]2CCCO[C@@H]2C(C)(C)C)c(I)n1 ZINC000894260817 663451400 /nfs/dbraw/zinc/45/14/00/663451400.db2.gz OSAHQHPUWLQALW-AAEUAGOBSA-N 1 0 391.297 2.956 20 0 GFADRO Cn1cc(C[NH2+][C@@H]2CCOC3(CCCC3)C2)c(I)n1 ZINC000894331591 663454987 /nfs/dbraw/zinc/45/49/87/663454987.db2.gz HEIZEQCSABANHF-GFCCVEGCSA-N 1 0 375.254 2.606 20 0 GFADRO CC(=O)Nc1cc(Br)ccc1CN(CC[NH+](C)C)C[C@H]1CCCO1 ZINC000894457099 663462979 /nfs/dbraw/zinc/46/29/79/663462979.db2.gz XUXCBWGYQATTTA-QGZVFWFLSA-N 1 0 398.345 2.950 20 0 GFADRO OC[C@H]([NH2+][C@@H]1CCC2(C[C@@H]1F)OCCO2)c1ccc(Br)c(F)c1 ZINC000894593918 663470434 /nfs/dbraw/zinc/47/04/34/663470434.db2.gz OOOJOGLGVSHUDO-ZNMIVQPWSA-N 1 0 392.240 2.845 20 0 GFADRO C[NH+](C)CC1(O)CCN(c2ccnc(-c3ccc(Br)cc3)n2)CC1 ZINC000894957271 663491526 /nfs/dbraw/zinc/49/15/26/663491526.db2.gz ZSDSBWXPEJBBDJ-UHFFFAOYSA-N 1 0 391.313 2.799 20 0 GFADRO Brc1c[nH]c(CN2CCO[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC000895152467 663501045 /nfs/dbraw/zinc/50/10/45/663501045.db2.gz MZUJEDLRJIQZCI-JKSUJKDBSA-N 1 0 391.313 2.648 20 0 GFADRO CC(=O)Nc1cc(Br)ccc1CN1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000895472233 663516286 /nfs/dbraw/zinc/51/62/86/663516286.db2.gz GARPJJJGVBUTMZ-KRWDZBQOSA-N 1 0 398.345 2.950 20 0 GFADRO CC(C)(C)OC(=O)[C@H]1C[C@H]([NH2+]Cc2sc(N3CCOCC3)nc2Cl)C1 ZINC000895476500 663516493 /nfs/dbraw/zinc/51/64/93/663516493.db2.gz KBBIEBBSKFCTGX-HAQNSBGRSA-N 1 0 387.933 2.843 20 0 GFADRO COc1ccc(C2=NO[C@@H](C[NH2+]Cc3cc(Br)nn3C)C2)cc1F ZINC000895503915 663517407 /nfs/dbraw/zinc/51/74/07/663517407.db2.gz OWTIRPXHTYNMKJ-GFCCVEGCSA-N 1 0 397.248 2.613 20 0 GFADRO COC(=O)C[C@@H](NC(=O)[C@@]12CC[N@H+](C1)CCC2)c1ccc(Br)cc1 ZINC000895523527 663517976 /nfs/dbraw/zinc/51/79/76/663517976.db2.gz BDOVKMIDWUXZRN-QAPCUYQASA-N 1 0 395.297 2.655 20 0 GFADRO Cc1[nH]nc(I)c1C(=O)Nc1ccc(C[NH+](C)C)cc1 ZINC000895607534 663520575 /nfs/dbraw/zinc/52/05/75/663520575.db2.gz OCXIJLLFELTRDX-UHFFFAOYSA-N 1 0 384.221 2.637 20 0 GFADRO CCO/C=C\[C@](O)(C[NH2+]C1CCN(CCC(F)(F)F)CC1)C(F)(F)F ZINC000895710865 663524582 /nfs/dbraw/zinc/52/45/82/663524582.db2.gz OBPDLPLHIIXDRZ-HKBVPSITSA-N 1 0 378.357 2.836 20 0 GFADRO CCOC(=O)[C@@]1(C[NH2+]Cc2nc(C)c(Br)s2)CCCOC1 ZINC000895775904 663527231 /nfs/dbraw/zinc/52/72/31/663527231.db2.gz FWZOYVXIMXSAJA-CQSZACIVSA-N 1 0 377.304 2.664 20 0 GFADRO O=S1(=O)CCC(C[NH2+]Cc2ccn(-c3ccc(Br)cc3)n2)CC1 ZINC000895804774 663528243 /nfs/dbraw/zinc/52/82/43/663528243.db2.gz OGJLGQOVRXSHAS-UHFFFAOYSA-N 1 0 398.326 2.549 20 0 GFADRO COc1ccc(CN[C@H]2CCc3cc(Br)ccc3NC2=O)nc1 ZINC000896029153 663537928 /nfs/dbraw/zinc/53/79/28/663537928.db2.gz AKOVMFSTBYBTBR-INIZCTEOSA-N 1 0 376.254 2.896 20 0 GFADRO C[C@H]([NH2+]Cc1ccn(-c2ccc(Br)cc2)n1)[C@@H]1CCS(=O)(=O)C1 ZINC000896052761 663539095 /nfs/dbraw/zinc/53/90/95/663539095.db2.gz HTQHSAAPITUTEU-QWHCGFSZSA-N 1 0 398.326 2.548 20 0 GFADRO CC(C)(C[NH+]1CCC(O)(COCCO)CC1)c1ccc(Br)cc1 ZINC000896058594 663539458 /nfs/dbraw/zinc/53/94/58/663539458.db2.gz OEXXTVDHDYTIPV-UHFFFAOYSA-N 1 0 386.330 2.563 20 0 GFADRO C[NH+]1CCC2(CCN2C(=O)N[C@@H]2[C@@H]3Cc4c(cccc4Br)[C@@H]32)CC1 ZINC000896077347 663540010 /nfs/dbraw/zinc/54/00/10/663540010.db2.gz JAGLEWMCCLNNFD-HYVNUMGLSA-N 1 0 390.325 2.967 20 0 GFADRO CCO[P@@](C)(=O)CC[C@@H](C)[NH2+]Cc1ccc(CS(=O)(=O)N(C)C)cc1 ZINC000896276412 663548635 /nfs/dbraw/zinc/54/86/35/663548635.db2.gz LPYSVMSARWBWBL-OYLFLEFRSA-N 1 0 390.486 2.891 20 0 GFADRO C[C@H](NC(=O)C(F)(F)c1cc(Cl)ccc1Cl)[C@@H]1C[N@H+](C)CCN1C ZINC000896532193 663561716 /nfs/dbraw/zinc/56/17/16/663561716.db2.gz AYSDYUGHYYIRHS-HZMBPMFUSA-N 1 0 380.266 2.836 20 0 GFADRO C[C@H](NC(=O)c1cc(Cl)cc(F)c1Br)[C@@H]1C[N@H+](C)CCN1C ZINC000896542959 663562502 /nfs/dbraw/zinc/56/25/02/663562502.db2.gz UUBBFCSYEAFXDN-ZANVPECISA-N 1 0 392.700 2.606 20 0 GFADRO C[C@@H](NC(=O)CCCc1ccccc1Br)[C@@H]1C[N@H+](C)CCN1C ZINC000896553929 663563472 /nfs/dbraw/zinc/56/34/72/663563472.db2.gz DDBAVNJMAUFCPD-PBHICJAKSA-N 1 0 382.346 2.522 20 0 GFADRO CC(C)Oc1cc(Br)ccc1C(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCN1C ZINC000896567891 663564709 /nfs/dbraw/zinc/56/47/09/663564709.db2.gz JIDBTPUERUIGLK-CJNGLKHVSA-N 1 0 398.345 2.600 20 0 GFADRO COCC[N@@H+]1CCCN(C(=O)CCCc2ccc(Br)cc2)CC1 ZINC000896626364 663568644 /nfs/dbraw/zinc/56/86/44/663568644.db2.gz SBGJSNHTIXQAHG-UHFFFAOYSA-N 1 0 383.330 2.953 20 0 GFADRO C[C@H](C[NH+]1CCC2(CC1)C[C@@H](O)CNC2=O)c1cccc(Br)c1 ZINC000897044371 663588008 /nfs/dbraw/zinc/58/80/08/663588008.db2.gz YRBNJJBMWFVVFM-CZUORRHYSA-N 1 0 381.314 2.516 20 0 GFADRO Cc1ccc(Br)c(C(=O)Nc2ccnc(OCC[NH+](C)C)c2)n1 ZINC000897319508 663600546 /nfs/dbraw/zinc/60/05/46/663600546.db2.gz MUFNAGLONKMYGB-UHFFFAOYSA-N 1 0 379.258 2.740 20 0 GFADRO C[C@@H]1CCC[N@@H+]1CCNC(=O)N(C)C[C@@H](O)c1cccc(Br)c1 ZINC000897509716 663607952 /nfs/dbraw/zinc/60/79/52/663607952.db2.gz ADABBZBMIPWGRC-CZUORRHYSA-N 1 0 384.318 2.608 20 0 GFADRO CCc1nn(C)c(Cl)c1C[NH2+]CC1(OCCO)CCC(C(F)F)CC1 ZINC000897539714 663609335 /nfs/dbraw/zinc/60/93/35/663609335.db2.gz PHEVZFIOVNHESC-UHFFFAOYSA-N 1 0 379.879 2.929 20 0 GFADRO CC1(C[NH2+]Cc2cnn3cc(Br)cnc23)CCC2(CC1)OCCO2 ZINC000897716202 663617052 /nfs/dbraw/zinc/61/70/52/663617052.db2.gz ZLZLVTJCCVBIKB-UHFFFAOYSA-N 1 0 395.301 2.905 20 0 GFADRO CC[C@H](C)[NH2+][C@H](CNC(=O)c1cc(N)nc(Br)c1)c1ccco1 ZINC000897730780 663617616 /nfs/dbraw/zinc/61/76/16/663617616.db2.gz RRPKBDXPINYPLY-CMPLNLGQSA-N 1 0 381.274 2.879 20 0 GFADRO C[C@@H](NC(=O)C(=O)NCc1cscc1Cl)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000897924459 663626069 /nfs/dbraw/zinc/62/60/69/663626069.db2.gz QPHTTZOVBRAGQF-CHWSQXEVSA-N 1 0 383.945 2.787 20 0 GFADRO O=C(NCc1cccc(Br)c1Cl)C1C[NH+](C2CCOCC2)C1 ZINC000897970692 663627120 /nfs/dbraw/zinc/62/71/20/663627120.db2.gz OGOXAPKBPPSMCP-UHFFFAOYSA-N 1 0 387.705 2.830 20 0 GFADRO O=C1Nc2ncc(Br)cc2C[C@@H]1[NH2+]Cc1cccc2c1CCOC2 ZINC000897978545 663628737 /nfs/dbraw/zinc/62/87/37/663628737.db2.gz RDKLJWGAEBOZCD-INIZCTEOSA-N 1 0 388.265 2.570 20 0 GFADRO COC(=O)c1cc2n(n1)CCC[C@@H]2[NH2+]Cc1cncc(Br)c1C ZINC000897987002 663629261 /nfs/dbraw/zinc/62/92/61/663629261.db2.gz MUAAKLRHKSSPBJ-ZDUSSCGKSA-N 1 0 379.258 2.760 20 0 GFADRO Cc1ccc(Br)cc1CC(=O)N1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000898110968 663633804 /nfs/dbraw/zinc/63/38/04/663633804.db2.gz RTPPMJCDIFCNOB-UHFFFAOYSA-N 1 0 395.341 2.653 20 0 GFADRO O=c1cc(N2CC[C@@H]([NH2+][C@@H]3CCc4c3ccc(F)c4Br)C2)nc[nH]1 ZINC000898151695 663636047 /nfs/dbraw/zinc/63/60/47/663636047.db2.gz TWOBMVSTNFELKY-QMTHXVAHSA-N 1 0 393.260 2.940 20 0 GFADRO O=c1[nH]ncc(N2CC[C@H]([NH2+]Cc3cnc([C@@H]4CCCO4)s3)C2)c1Cl ZINC000898364067 663644616 /nfs/dbraw/zinc/64/46/16/663644616.db2.gz HLIKSFWLBQDJCL-GWCFXTLKSA-N 1 0 381.889 2.512 20 0 GFADRO CCO[P@](C)(=O)CC[C@H](C)[NH2+][C@H]1CCN(c2cn[nH]c(=O)c2Cl)C1 ZINC000898372673 663645329 /nfs/dbraw/zinc/64/53/29/663645329.db2.gz VYIGIQYUYWTYDU-CTRJTCCGSA-N 1 0 376.825 2.727 20 0 GFADRO CCCc1ccc(C[NH2+][C@@H]2CCS(=O)(=O)C3(CC(C(=O)OC)C3)C2)s1 ZINC000898489155 663652277 /nfs/dbraw/zinc/65/22/77/663652277.db2.gz WVHFFASJJOWREI-TXKKKEFDSA-N 1 0 385.551 2.689 20 0 GFADRO O=C(COc1cccc(Br)c1)NC1CC[NH+](C2CCOCC2)CC1 ZINC000898626797 663658321 /nfs/dbraw/zinc/65/83/21/663658321.db2.gz OSHDUCCPDHQCGN-UHFFFAOYSA-N 1 0 397.313 2.588 20 0 GFADRO CC(C)c1n[nH]c(C(=O)NC2CC[NH+](C3CCOCC3)CC2)c1Br ZINC000898631547 663658667 /nfs/dbraw/zinc/65/86/67/663658667.db2.gz XXWQHXIVIBJADE-UHFFFAOYSA-N 1 0 399.333 2.669 20 0 GFADRO C[C@H]1C[C@H](N(C)C(=O)C(=O)NCCc2ccc(Cl)c(Cl)c2)CC[N@@H+]1C ZINC000898660073 663659128 /nfs/dbraw/zinc/65/91/28/663659128.db2.gz OMNRSFCOMPWWAH-GXTWGEPZSA-N 1 0 386.323 2.593 20 0 GFADRO C[C@H]([NH2+][C@H]1CCc2ncc(Br)n2C1)c1ccc(S(C)(=O)=O)cc1 ZINC000898720296 663660579 /nfs/dbraw/zinc/66/05/79/663660579.db2.gz LRUIEHKPHITCIQ-AAEUAGOBSA-N 1 0 398.326 2.715 20 0 GFADRO COCOc1ccc(OC)cc1C[NH2+][C@H]1CCc2ncc(Br)n2C1 ZINC000898723628 663661050 /nfs/dbraw/zinc/66/10/50/663661050.db2.gz HAJPTDLLCGYFIT-ZDUSSCGKSA-N 1 0 396.285 2.742 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(C(=O)COCCc3ccc(Br)cc3)CC[C@@H]21 ZINC000899177581 663678700 /nfs/dbraw/zinc/67/87/00/663678700.db2.gz BTTNTWKBIKUMNR-WBVHZDCISA-N 1 0 381.314 2.561 20 0 GFADRO Cc1cccc(CN2C(=O)N[C@]3(CCCC[C@@H]3C[NH3+])C2=O)c1Br ZINC000899633046 663696722 /nfs/dbraw/zinc/69/67/22/663696722.db2.gz LORNKGROHNBZED-DYVFJYSZSA-N 1 0 380.286 2.697 20 0 GFADRO Brc1ccc2c(c1)[C@H](n1cc(C[C@@H]3CCC[NH2+]C3)nn1)CCO2 ZINC000899739673 663699750 /nfs/dbraw/zinc/69/97/50/663699750.db2.gz RIBBYGMKZCJAHX-BLLLJJGKSA-N 1 0 377.286 2.955 20 0 GFADRO C[NH+]1CCC(NCc2cn(-c3ccc(Cl)c(Br)c3)nn2)CC1 ZINC000899747197 663699961 /nfs/dbraw/zinc/69/99/61/663699961.db2.gz UDEAIOJQNVEBLR-UHFFFAOYSA-N 1 0 384.709 2.867 20 0 GFADRO CC(C)[NH+]1CCN(CCC(=O)N(C)Cc2ccc(Br)cc2)CC1 ZINC000899952527 663704266 /nfs/dbraw/zinc/70/42/66/663704266.db2.gz IVWZLZBGCUNZHQ-UHFFFAOYSA-N 1 0 382.346 2.824 20 0 GFADRO C[N@@H+]1CCC[C@](O)(CC(=O)N2CCC[C@@H]2c2cccc(Br)c2)C1 ZINC000900286899 663711687 /nfs/dbraw/zinc/71/16/87/663711687.db2.gz VZJLILOJLULHSF-AEFFLSMTSA-N 1 0 381.314 2.959 20 0 GFADRO Cc1nc(C)c(-c2csc(NC(=O)c3ccnn3CC[NH+](C)C)n2)s1 ZINC000900634004 663718438 /nfs/dbraw/zinc/71/84/38/663718438.db2.gz HRAYAYGYRNOJAC-UHFFFAOYSA-N 1 0 376.511 2.894 20 0 GFADRO CC1([NH+]2CCC2)CCC(NC(=O)c2cccnc2I)CC1 ZINC000900705056 663720141 /nfs/dbraw/zinc/72/01/41/663720141.db2.gz YAHZBAYVDJWJDB-UHFFFAOYSA-N 1 0 399.276 2.823 20 0 GFADRO C[C@H](NC(=O)c1c(Cl)cc(F)cc1Br)[C@H]1C[N@H+](C)CCN1C ZINC000900811942 663722075 /nfs/dbraw/zinc/72/20/75/663722075.db2.gz PVOQJZQAIAWVQM-TVQRCGJNSA-N 1 0 392.700 2.606 20 0 GFADRO C[C@@H]([NH2+][C@@H]1CCc2ncc(Br)n2C1)C(=O)Nc1c(F)cccc1F ZINC000901728388 663743822 /nfs/dbraw/zinc/74/38/22/663743822.db2.gz MHRBJWIBUMPDSY-NXEZZACHSA-N 1 0 399.239 2.855 20 0 GFADRO O=c1cc(Br)ccn1C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000902581393 663763866 /nfs/dbraw/zinc/76/38/66/663763866.db2.gz ALXAUUPMFDGMGQ-QGZVFWFLSA-N 1 0 377.282 2.902 20 0 GFADRO CCn1cc(CNc2cc(Br)ccc2N(C)CC[NH+](C)C)nn1 ZINC000902603412 663764372 /nfs/dbraw/zinc/76/43/72/663764372.db2.gz FHWSJVAUWSUJJS-UHFFFAOYSA-N 1 0 381.322 2.670 20 0 GFADRO Cc1ccsc1-c1nn(CN2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)c(=S)o1 ZINC000902641951 663765036 /nfs/dbraw/zinc/76/50/36/663765036.db2.gz CQESMRUQOISZPS-UONOGXRCSA-N 1 0 380.539 2.731 20 0 GFADRO Cn1c2ccccc2c(Br)c1C[NH2+]CC[C@@H]1CCCS1(=O)=O ZINC000902645515 663765050 /nfs/dbraw/zinc/76/50/50/663765050.db2.gz WHVKWMDGKCJASH-LBPRGKRZSA-N 1 0 385.327 2.998 20 0 GFADRO O=C(NCCC[NH2+][C@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21)c1cccc(Br)c1 ZINC000902784031 663767458 /nfs/dbraw/zinc/76/74/58/663767458.db2.gz MMBLVSMNNIFFQO-NNPSNHGLSA-N 1 0 393.325 2.972 20 0 GFADRO C[C@@H]([NH2+][C@@H]1CCCN(S(=O)(=O)N(C)C)C1)c1ccc(C(F)(F)F)s1 ZINC000902988017 663770590 /nfs/dbraw/zinc/77/05/90/663770590.db2.gz NABXQYSESFRZLI-GHMZBOCLSA-N 1 0 385.477 2.688 20 0 GFADRO CC(C)C[C@H]([NH2+]Cc1nn(C)cc1I)C1CCOCC1 ZINC000903012703 663771216 /nfs/dbraw/zinc/77/12/16/663771216.db2.gz SCZJEMYKHCJDRO-AWEZNQCLSA-N 1 0 391.297 2.956 20 0 GFADRO C[C@H](CN1CCCC1=O)[NH2+][C@H](C)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000903075613 663772363 /nfs/dbraw/zinc/77/23/63/663772363.db2.gz ALJGEOXLVNPODH-VXGBXAGGSA-N 1 0 378.416 2.642 20 0 GFADRO C[C@H](CO[C@H]1CCOC1)[NH2+][C@H](C)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000903110319 663773950 /nfs/dbraw/zinc/77/39/50/663773950.db2.gz NIEQUJVPPVGODY-BZPMIXESSA-N 1 0 381.416 2.825 20 0 GFADRO C[C@@H]([NH2+]CCN1Cc2ccccc2OCC1=O)c1cncc(Br)c1 ZINC000903181106 663777311 /nfs/dbraw/zinc/77/73/11/663777311.db2.gz MVBNSDOSZBTMTF-CYBMUJFWSA-N 1 0 390.281 2.916 20 0 GFADRO C[C@H]([NH2+]CC1(S(=O)(=O)NC(C)(C)C)CCC1)c1ccc([S@](C)=O)cc1 ZINC000903189393 663777640 /nfs/dbraw/zinc/77/76/40/663777640.db2.gz VRKLXOMXEJZHOI-BSEYFRJRSA-N 1 0 386.583 2.715 20 0 GFADRO COc1ccc(S(=O)(=O)N2CCC([NH+]3CCC3)CC2)c(Cl)c1Cl ZINC000903203074 663778421 /nfs/dbraw/zinc/77/84/21/663778421.db2.gz NMOWCZPHQBPUJW-UHFFFAOYSA-N 1 0 379.309 2.861 20 0 GFADRO CC[C@@](O)(CCC(F)(F)F)C[NH2+][C@@H](C)c1cccc(S(=O)(=O)NC)c1 ZINC000903256774 663780593 /nfs/dbraw/zinc/78/05/93/663780593.db2.gz QBFKKLDOPKSXLH-SWLSCSKDSA-N 1 0 382.448 2.729 20 0 GFADRO CC[C@H]([NH2+]CC1(C2(O)CCC2)CC1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000903257387 663780660 /nfs/dbraw/zinc/78/06/60/663780660.db2.gz FVZNTEAHUOSNCD-HNNXBMFYSA-N 1 0 386.945 2.984 20 0 GFADRO C[C@H]([NH2+][C@@H](C)c1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cncs1 ZINC000903311547 663781264 /nfs/dbraw/zinc/78/12/64/663781264.db2.gz PWNPLZBNZJUVIH-KBPBESRZSA-N 1 0 381.523 2.576 20 0 GFADRO CO[C@]1(C[NH2+][C@@H](c2cccc(C(F)(F)F)c2)C2CC2)CCS(=O)(=O)C1 ZINC000903364841 663782843 /nfs/dbraw/zinc/78/28/43/663782843.db2.gz CMXWRDVERJKXMR-CVEARBPZSA-N 1 0 377.428 2.950 20 0 GFADRO CO[C@@]1(C[NH2+][C@@H](c2ccc(Br)cc2)C2CC2)CCS(=O)(=O)C1 ZINC000903367094 663783008 /nfs/dbraw/zinc/78/30/08/663783008.db2.gz XGKSTUVZEADHTR-HZPDHXFCSA-N 1 0 388.327 2.694 20 0 GFADRO CC[C@@H]([NH2+]C[C@]1(OC)CCS(=O)(=O)C1)c1ccc(Br)cc1 ZINC000903368744 663783268 /nfs/dbraw/zinc/78/32/68/663783268.db2.gz QOVOBYIPAXLEQI-HUUCEWRRSA-N 1 0 376.316 2.694 20 0 GFADRO CC[C@H]([NH2+]C[C@@]1(OC)CCS(=O)(=O)C1)c1cccc(Br)c1 ZINC000903369252 663783279 /nfs/dbraw/zinc/78/32/79/663783279.db2.gz VVNURASDVSZNMP-GJZGRUSLSA-N 1 0 376.316 2.694 20 0 GFADRO C[C@@H]([NH2+][C@H]1CCc2ncc(Br)n2C1)c1ccccc1-n1ccnn1 ZINC000903477800 663785282 /nfs/dbraw/zinc/78/52/82/663785282.db2.gz COBZIXDGNXHAFT-OLZOCXBDSA-N 1 0 387.285 2.892 20 0 GFADRO Cc1cc2ncc([C@H](C)[NH2+][C@@H]3CCc4ncc(Br)n4C3)c(C)n2n1 ZINC000903478803 663785356 /nfs/dbraw/zinc/78/53/56/663785356.db2.gz NGBGDKTVADNIKN-WCQYABFASA-N 1 0 389.301 2.971 20 0 GFADRO O=S(=O)(c1c[nH]c2ncc(Cl)cc12)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000903499516 663785744 /nfs/dbraw/zinc/78/57/44/663785744.db2.gz LDRPVAYDWIHAGL-QWHCGFSZSA-N 1 0 382.917 2.617 20 0 GFADRO CC1(C)C[NH2+][C@@H]1C1CCN(S(=O)(=O)c2c[nH]c3ncc(Cl)cc23)CC1 ZINC000903510213 663786122 /nfs/dbraw/zinc/78/61/22/663786122.db2.gz GPVLOAXXQUMCNI-OAHLLOKOSA-N 1 0 382.917 2.615 20 0 GFADRO O=S(=O)(Cc1cccc(F)c1Br)N(C1CC1)C1CC[NH2+]CC1 ZINC000903510692 663786133 /nfs/dbraw/zinc/78/61/33/663786133.db2.gz IMEWTDRNEYYEIU-UHFFFAOYSA-N 1 0 391.306 2.634 20 0 GFADRO O=S(=O)(Cc1cccc(F)c1Br)NCc1ccc2c(c1)C[NH2+]C2 ZINC000903518863 663786863 /nfs/dbraw/zinc/78/68/63/663786863.db2.gz SXVOZKZAWJNCRR-UHFFFAOYSA-N 1 0 399.285 2.811 20 0 GFADRO C[NH2+]C[C@@H]1CCCCN1Cc1nc(Cc2cccc(Br)c2)no1 ZINC000903528888 663787456 /nfs/dbraw/zinc/78/74/56/663787456.db2.gz YYTMUUWTQNRYQO-HNNXBMFYSA-N 1 0 379.302 2.997 20 0 GFADRO Cc1ccc(NC(=O)CN2CC[C@H](C(F)(F)F)[C@H]([NH3+])C2)c(Br)c1 ZINC000903533132 663787473 /nfs/dbraw/zinc/78/74/73/663787473.db2.gz BJYNWKMNNOKXLB-CMPLNLGQSA-N 1 0 394.235 2.908 20 0 GFADRO CC[C@@H]1c2ccsc2CCN1C(=O)CN1CC[C@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000903534360 663787579 /nfs/dbraw/zinc/78/75/79/663787579.db2.gz LGPGFUMZGJRNDZ-MELADBBJSA-N 1 0 375.460 2.795 20 0 GFADRO COC(=O)c1scc(C)c1S(=O)(=O)N1CCCC[C@H]1C1(C[NH3+])CCC1 ZINC000903548003 663788186 /nfs/dbraw/zinc/78/81/86/663788186.db2.gz VPTRAWVLUBXNKI-ZDUSSCGKSA-N 1 0 386.539 2.515 20 0 GFADRO O=S(=O)(Cc1cc(F)ccc1Br)NC1(C2CC[NH2+]CC2)CC1 ZINC000903555320 663788576 /nfs/dbraw/zinc/78/85/76/663788576.db2.gz JDYBRXNFRNXZRU-UHFFFAOYSA-N 1 0 391.306 2.540 20 0 GFADRO O[C@@H]1CCN(C[C@H]2CC3(CO2)CC[NH2+]CC3)[C@@H]1c1ccc(Br)cc1 ZINC000903776929 663806789 /nfs/dbraw/zinc/80/67/89/663806789.db2.gz YPTHJRMGYQJYRH-KZNAEPCWSA-N 1 0 395.341 2.716 20 0 GFADRO Fc1cc(Br)cc(OCCN2CC[NH2+]CCC23CCOCC3)c1 ZINC000903818022 663807493 /nfs/dbraw/zinc/80/74/93/663807493.db2.gz UECAGNLXYYQPFU-UHFFFAOYSA-N 1 0 387.293 2.812 20 0 GFADRO COC(=O)CCN(Cc1cccc(Br)c1)C[C@H]([NH3+])CC(F)F ZINC000903913480 663811175 /nfs/dbraw/zinc/81/11/75/663811175.db2.gz CTMNGABVAHBSAN-CYBMUJFWSA-N 1 0 379.245 2.797 20 0 GFADRO Cc1c(C[C@H](C[NH3+])CN2CCc3cc(Br)cc(F)c3C2)cnn1C ZINC000903917234 663811420 /nfs/dbraw/zinc/81/14/20/663811420.db2.gz XFDQXICJVBEHON-CYBMUJFWSA-N 1 0 395.320 2.806 20 0 GFADRO COc1cc(Br)c(CN2CCc3sc(C[NH3+])nc3C2)cc1OC ZINC000903940696 663813008 /nfs/dbraw/zinc/81/30/08/663813008.db2.gz AJGZWETXBYVGLV-UHFFFAOYSA-N 1 0 398.326 2.940 20 0 GFADRO FC1(F)CC[NH2+]C[C@H]1CNCc1cc(Br)c2c(c1)OCCCO2 ZINC000903955259 663813588 /nfs/dbraw/zinc/81/35/88/663813588.db2.gz NZIZBUCNKOTRBD-LBPRGKRZSA-N 1 0 391.256 2.945 20 0 GFADRO Fc1c(Br)ccc2c1CN(Cc1cnnn1[C@H]1CCC[NH2+]C1)CC2 ZINC000903985954 663815603 /nfs/dbraw/zinc/81/56/03/663815603.db2.gz CZQNMBVRRXCWRC-ZDUSSCGKSA-N 1 0 394.292 2.663 20 0 GFADRO [NH3+]C[C@@]12CC[C@@H]1CCN2C(=O)Nc1cc2c(cc1Br)OCCO2 ZINC000904279344 663829914 /nfs/dbraw/zinc/82/99/14/663829914.db2.gz TXJBVEIPJGWXSJ-HWPZZCPQSA-N 1 0 382.258 2.565 20 0 GFADRO CSc1nsc(NC(=O)N[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)n1 ZINC000904368131 663831751 /nfs/dbraw/zinc/83/17/51/663831751.db2.gz IIFMTMUEJIFABV-BZNIZROVSA-N 1 0 377.495 2.637 20 0 GFADRO COc1sc(CN2CCC3(CO[C@H](C[NH3+])C3)CC2)cc1Br ZINC000904392613 663832341 /nfs/dbraw/zinc/83/23/41/663832341.db2.gz VMENXARNNMODDG-NSHDSACASA-N 1 0 375.332 2.849 20 0 GFADRO [NH3+]C[C@H]1C[C@H](NC(=O)Nc2cc(Cl)ccc2I)C1 ZINC000904483894 663835657 /nfs/dbraw/zinc/83/56/57/663835657.db2.gz CMVCHNJZBYBPCD-XWEPSHTISA-N 1 0 379.629 2.803 20 0 GFADRO Cn1c(Cl)cnc1-c1csc(NC(=O)N2CCC[C@H]3CC[C@]32C[NH3+])n1 ZINC000904521320 663836607 /nfs/dbraw/zinc/83/66/07/663836607.db2.gz NGZLPVDERMVTQM-QFYYESIMSA-N 1 0 380.905 2.932 20 0 GFADRO COCCOc1ccc(NC(=O)N2CCC[C@H]3[NH2+]CC[C@@H]32)cc1Br ZINC000904549912 663837460 /nfs/dbraw/zinc/83/74/60/663837460.db2.gz YVXYLRUXHVFFSC-CABCVRRESA-N 1 0 398.301 2.833 20 0 GFADRO C[NH2+][C@@H]1CCCN(C(=O)Nc2ccc(OCCOC)c(Br)c2)C1 ZINC000904550177 663837480 /nfs/dbraw/zinc/83/74/80/663837480.db2.gz CBWCUMRBTZKTJD-CYBMUJFWSA-N 1 0 386.290 2.690 20 0 GFADRO COCCOc1ccc(NC(=O)N2CC[C@@H]([NH3+])[C@@H](C)C2)cc1Br ZINC000904552317 663838140 /nfs/dbraw/zinc/83/81/40/663838140.db2.gz UCCNNIFXRBEDGZ-SMDDNHRTSA-N 1 0 386.290 2.675 20 0 GFADRO [NH3+][C@H](Cc1nc(CC2CCOCC2)no1)Cc1ccc(Br)cc1 ZINC000904598901 663838727 /nfs/dbraw/zinc/83/87/27/663838727.db2.gz VPTGUVRHOFWONH-HNNXBMFYSA-N 1 0 380.286 2.914 20 0 GFADRO Brc1ccc(C2(c3nc(-c4ccncn4)no3)CC[NH2+]CC2)cc1 ZINC000904713236 663842130 /nfs/dbraw/zinc/84/21/30/663842130.db2.gz SRMUBCJHHYFFPR-UHFFFAOYSA-N 1 0 386.253 2.959 20 0 GFADRO CN(Cc1ncc(Br)cn1)C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000905163230 663856061 /nfs/dbraw/zinc/85/60/61/663856061.db2.gz OWSOBWWENDLGKP-LBPRGKRZSA-N 1 0 398.330 2.745 20 0 GFADRO C[NH+](C)C(C)(C)CNC(=O)c1ccc(Cn2cc(Br)cn2)s1 ZINC000905222558 663860203 /nfs/dbraw/zinc/86/02/03/663860203.db2.gz MZGADZXOWQSONI-UHFFFAOYSA-N 1 0 385.331 2.825 20 0 GFADRO COc1ccc(-c2ccc(CNS(=O)(=O)CC3CC[NH2+]CC3)s2)cc1 ZINC000905339320 663866192 /nfs/dbraw/zinc/86/61/92/663866192.db2.gz ZSSWIYIZXFAYSD-UHFFFAOYSA-N 1 0 380.535 2.843 20 0 GFADRO OCC1(C[C@H](O)C[NH2+][C@@H]2[C@H]3Cc4ccc(Br)cc4[C@@H]23)CCCC1 ZINC000905409222 663870246 /nfs/dbraw/zinc/87/02/46/663870246.db2.gz NSMILIJTWJTAMF-DZJNRPSUSA-N 1 0 380.326 2.981 20 0 GFADRO O[C@@H](C[NH2+]Cc1ccc2ccc(Br)cc2c1)CC1(O)CCOCC1 ZINC000905420351 663870794 /nfs/dbraw/zinc/87/07/94/663870794.db2.gz YMZNQRBSVRTQBM-GOSISDBHSA-N 1 0 394.309 2.984 20 0 GFADRO CS(=O)(=O)c1ccccc1CC[NH2+]C[C@@H](O)c1cccc(Br)c1 ZINC000905557411 663878231 /nfs/dbraw/zinc/87/82/31/663878231.db2.gz VSNFBYFBZNZSFB-MRXNPFEDSA-N 1 0 398.322 2.718 20 0 GFADRO C[C@@](O)(C[NH2+]C[C@@H]1C[C@@H]2COC[C@@H]2O1)c1ccc(Br)cc1Cl ZINC000905573329 663879251 /nfs/dbraw/zinc/87/92/51/663879251.db2.gz VLZZFMSBAZOQRY-WJCKQCIISA-N 1 0 390.705 2.704 20 0 GFADRO O[C@@H](CCOCc1ccccc1)C[NH2+]CC1(n2cc(Br)cn2)CC1 ZINC000905586872 663880105 /nfs/dbraw/zinc/88/01/05/663880105.db2.gz MQXJYCRUCROCBC-KRWDZBQOSA-N 1 0 394.313 2.692 20 0 GFADRO O[C@H](C[NH2+]C[C@H]1CCN1C1CCOCC1)COc1c(Cl)cccc1Cl ZINC000905620083 663882013 /nfs/dbraw/zinc/88/20/13/663882013.db2.gz BICHFUHBRUWQIP-HUUCEWRRSA-N 1 0 389.323 2.576 20 0 GFADRO Cn1nnc2c1C[C@@H]([NH2+]C[C@](C)(O)c1ccc(Br)cc1Cl)CC2 ZINC000905631823 663882664 /nfs/dbraw/zinc/88/26/64/663882664.db2.gz BLPWFKBUDPNFTR-ZBEGNZNMSA-N 1 0 399.720 2.586 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CNC(=S)N1CCC[C@H]1c1ncc(Br)cn1 ZINC000905644157 663883189 /nfs/dbraw/zinc/88/31/89/663883189.db2.gz JUQDGHCERSCYDN-KBPBESRZSA-N 1 0 398.374 2.735 20 0 GFADRO COC(=O)[C@H]1C[C@@H]2C[C@H]([NH2+]C[C@H](O)c3ccc(F)c(Br)c3)[C@@H]2C1 ZINC000905653370 663883980 /nfs/dbraw/zinc/88/39/80/663883980.db2.gz JLYPOTLXZKYWML-KPNNVRJVSA-N 1 0 386.261 2.799 20 0 GFADRO C[C@@]1(C2CCN(Cn3ncc4c3cccc4Br)CC2)COC(=O)N1 ZINC000905711079 663888252 /nfs/dbraw/zinc/88/82/52/663888252.db2.gz UCVBDJGYZBDEDN-KRWDZBQOSA-N 1 0 393.285 2.967 20 0 GFADRO CC(C)[NH+]1CCC(N(C)C(=O)c2nscc2I)CC1 ZINC000905773685 663892049 /nfs/dbraw/zinc/89/20/49/663892049.db2.gz DOEMTSBBICDIRU-UHFFFAOYSA-N 1 0 393.294 2.693 20 0 GFADRO C[C@H](Oc1ccc(F)cc1Br)C(=O)N(C)c1cc(C[NH3+])ccn1 ZINC000906225243 663932634 /nfs/dbraw/zinc/93/26/34/663932634.db2.gz IEJAECFTWCHURB-JTQLQIEISA-N 1 0 382.233 2.872 20 0 GFADRO O=C(c1cccn2ncc(Br)c12)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000906457848 663949744 /nfs/dbraw/zinc/94/97/44/663949744.db2.gz BEEFPUMCQHBXJM-CYBMUJFWSA-N 1 0 377.286 2.797 20 0 GFADRO C[NH+]1CCC(CNC(=O)c2ccc(Cn3cc(Br)cn3)s2)CC1 ZINC000906494531 663952908 /nfs/dbraw/zinc/95/29/08/663952908.db2.gz IPPGIPAYMMYYRA-UHFFFAOYSA-N 1 0 397.342 2.827 20 0 GFADRO C[N@@H+]1CCC[C@H](CNC(=O)c2ccc(Cn3cc(Br)cn3)s2)C1 ZINC000906621550 663961408 /nfs/dbraw/zinc/96/14/08/663961408.db2.gz DQQOXELKVPTDCV-GFCCVEGCSA-N 1 0 397.342 2.827 20 0 GFADRO Cc1cc(C(=O)N2CCC(C[NH3+])CC2)nn1-c1ccccc1Br ZINC000906627071 663961738 /nfs/dbraw/zinc/96/17/38/663961738.db2.gz JTKIMZFELSEGHQ-UHFFFAOYSA-N 1 0 377.286 2.754 20 0 GFADRO O=C(Nc1cccc(Cl)c1SCC(F)F)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000906716561 663966793 /nfs/dbraw/zinc/96/67/93/663966793.db2.gz FXHGSJSGUCWREX-MKPLZMMCSA-N 1 0 389.855 2.645 20 0 GFADRO O=C(NC[C@H]1CCCCC[NH2+]1)C(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000906732783 663967324 /nfs/dbraw/zinc/96/73/24/663967324.db2.gz PGQVOUUTCOFPIJ-LLVKDONJSA-N 1 0 375.803 2.528 20 0 GFADRO O=C(Nc1cc(C(F)(F)F)ccc1Cl)C(=O)N1CCC[C@@]12CC[NH2+]C2 ZINC000906755352 663968719 /nfs/dbraw/zinc/96/87/19/663968719.db2.gz BLADWOUUOFHHJZ-HNNXBMFYSA-N 1 0 375.778 2.652 20 0 GFADRO [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(=O)Nc1cc(C(F)(F)F)ccc1Cl)C2 ZINC000906755737 663968745 /nfs/dbraw/zinc/96/87/45/663968745.db2.gz PUQGDNXXTAHVLO-LSJOCFKGSA-N 1 0 375.778 2.636 20 0 GFADRO CCc1cc(C(=O)N2CC[NH+](C3CCOCC3)CC2)ccc1Br ZINC000906888771 663979230 /nfs/dbraw/zinc/97/92/30/663979230.db2.gz HPNHPPPDEIAYMQ-UHFFFAOYSA-N 1 0 381.314 2.948 20 0 GFADRO CC(C)[N@H+](C)CC1CCN(S(=O)(=O)c2c[nH]c3ncc(Cl)cc23)CC1 ZINC000906905196 663981066 /nfs/dbraw/zinc/98/10/66/663981066.db2.gz VMDTYVZFJJQQRT-UHFFFAOYSA-N 1 0 384.933 2.957 20 0 GFADRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)c1nscc1I ZINC000907170239 664008765 /nfs/dbraw/zinc/00/87/65/664008765.db2.gz CBKNQACQXIFVEZ-SECBINFHSA-N 1 0 393.294 2.550 20 0 GFADRO O=S(=O)(Cc1cc(F)ccc1Cl)NC1CC[NH+](C2CCOCC2)CC1 ZINC000907329481 664023754 /nfs/dbraw/zinc/02/37/54/664023754.db2.gz OCXLQDCIEPGSBA-UHFFFAOYSA-N 1 0 390.908 2.542 20 0 GFADRO CCOC(=O)C[C@@H](NC(=O)C12CC[NH+](CC1)C2)c1cccc(Br)c1 ZINC000907332335 664024391 /nfs/dbraw/zinc/02/43/91/664024391.db2.gz TYUWYODBQDTWPU-OAHLLOKOSA-N 1 0 395.297 2.655 20 0 GFADRO CN1CC[N@H+](C)CC(C(=O)N2CCC[C@@H]2c2ccc(Br)s2)C1 ZINC000907341439 664025606 /nfs/dbraw/zinc/02/56/06/664025606.db2.gz WSBHHRDVOOHDCO-CYBMUJFWSA-N 1 0 386.359 2.668 20 0 GFADRO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)S(=O)(=O)C3CCC(=O)CC3)C2)s1 ZINC000907348179 664027236 /nfs/dbraw/zinc/02/72/36/664027236.db2.gz ZHXUZBCJLJUJPC-HNNXBMFYSA-N 1 0 384.567 2.652 20 0 GFADRO CC[C@](O)(CCC(F)(F)F)CNS(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000907473527 664037874 /nfs/dbraw/zinc/03/78/74/664037874.db2.gz JDCQLJNXQIJTBD-HNNXBMFYSA-N 1 0 382.448 2.510 20 0 GFADRO C[NH+](C)[C@@H]1CCCN(C(=O)c2cc(Br)cn(C3CC3)c2=O)CC1 ZINC000907744898 664057679 /nfs/dbraw/zinc/05/76/79/664057679.db2.gz VJMBTKYSTPFHFJ-CYBMUJFWSA-N 1 0 382.302 2.502 20 0 GFADRO C[NH+]1CCC2(CCN2S(=O)(=O)c2cc(Cl)ccc2OC(F)F)CC1 ZINC000907858093 664066718 /nfs/dbraw/zinc/06/67/18/664066718.db2.gz UMKJGOATWGBAJO-UHFFFAOYSA-N 1 0 380.844 2.800 20 0 GFADRO CSC1(CNC(=O)[C@@H](O)c2ccccc2C(F)(F)F)CC[NH+](C)CC1 ZINC000908286568 664097253 /nfs/dbraw/zinc/09/72/53/664097253.db2.gz VLRODEPZKDLDNX-AWEZNQCLSA-N 1 0 376.444 2.682 20 0 GFADRO CCC[N@H+](CC)C[C@H](C)NC(=O)c1nscc1I ZINC000908308607 664098406 /nfs/dbraw/zinc/09/84/06/664098406.db2.gz YZUPHIOFCUSOPG-VIFPVBQESA-N 1 0 381.283 2.598 20 0 GFADRO CC(C)[NH2+]C1(CO)CCN(C(=O)c2c[nH]c3cccc(Br)c32)CC1 ZINC000908599418 664116720 /nfs/dbraw/zinc/11/67/20/664116720.db2.gz PHWBUSLJHFDOBZ-UHFFFAOYSA-N 1 0 394.313 2.896 20 0 GFADRO COc1c(Br)ccc(C)c1C(=O)N1CCC(CO)([NH2+]C(C)C)CC1 ZINC000908610371 664117808 /nfs/dbraw/zinc/11/78/08/664117808.db2.gz XDICEVXJSQOKGW-UHFFFAOYSA-N 1 0 399.329 2.731 20 0 GFADRO C[NH+](C)CCCC(C)(C)NC(=O)c1cc(Br)cn(C2CC2)c1=O ZINC000909019760 664141500 /nfs/dbraw/zinc/14/15/00/664141500.db2.gz KZQJRTPJJRAUKH-UHFFFAOYSA-N 1 0 384.318 2.796 20 0 GFADRO C[N@@H+]1CCC[C@@](O)(CC(=O)Nc2cccc3c(Br)ccnc23)C1 ZINC000909262934 664150502 /nfs/dbraw/zinc/15/05/02/664150502.db2.gz AWDIZLFVYBDUHJ-QGZVFWFLSA-N 1 0 378.270 2.783 20 0 GFADRO CC[N@@H+]1CCCN(C(=O)[C@@]2(C)CC2(Br)Br)[C@@H](C)C1 ZINC000910268005 664203875 /nfs/dbraw/zinc/20/38/75/664203875.db2.gz VPFYHHMEIBBYDM-CMPLNLGQSA-N 1 0 382.140 2.825 20 0 GFADRO CC[N@@H+]1CCCN(C(=O)c2cc(=O)c3cc(Br)ccc3[nH]2)[C@@H](C)C1 ZINC000910283201 664204401 /nfs/dbraw/zinc/20/44/01/664204401.db2.gz RVHPYHFIZDINLH-LBPRGKRZSA-N 1 0 392.297 2.847 20 0 GFADRO C[NH+](C)C1CCC(NC(=O)c2cnnn2-c2ccccc2Br)CC1 ZINC000911192423 664238256 /nfs/dbraw/zinc/23/82/56/664238256.db2.gz DTYDZXNOHNMHCF-UHFFFAOYSA-N 1 0 392.301 2.632 20 0 GFADRO C[NH2+][C@H]1CCCN(C(=O)c2cc(C)n(-c3ccccc3Br)n2)C1 ZINC000911736177 664254725 /nfs/dbraw/zinc/25/47/25/664254725.db2.gz PNEICWURHFWWES-ZDUSSCGKSA-N 1 0 377.286 2.767 20 0 GFADRO Cc1c(C(=O)N2CCC([C@@H](C)[NH3+])CC2)nnn1-c1ccccc1Br ZINC000911753389 664255465 /nfs/dbraw/zinc/25/54/65/664255465.db2.gz OGQFPEUONRTBJZ-LLVKDONJSA-N 1 0 392.301 2.538 20 0 GFADRO CN(C(=O)c1c(Cl)ccc(I)c1F)[C@H]1CC[NH2+]C1 ZINC000911783021 664256755 /nfs/dbraw/zinc/25/67/55/664256755.db2.gz OKXKPDHIRCFHCV-ZETCQYMHSA-N 1 0 382.604 2.518 20 0 GFADRO C[C@@H]1CCCN(C(=O)c2cc(Br)c(Br)[nH]2)[C@@H]1C[NH3+] ZINC000911827973 664257532 /nfs/dbraw/zinc/25/75/32/664257532.db2.gz YNRVNQOYYMSJBD-GMSGAONNSA-N 1 0 379.096 2.739 20 0 GFADRO C[NH2+]C[C@H]1CCCN1C(=O)c1ccc(Cn2cc(Br)cn2)s1 ZINC000911864498 664259528 /nfs/dbraw/zinc/25/95/28/664259528.db2.gz QKHWCBGLEWLJEX-GFCCVEGCSA-N 1 0 383.315 2.579 20 0 GFADRO CN(C(=O)c1cc2ccc(Br)cc2c(=O)o1)C1CCC([NH3+])CC1 ZINC000911865576 664259539 /nfs/dbraw/zinc/25/95/39/664259539.db2.gz ULEPCCPQULLXSP-UHFFFAOYSA-N 1 0 379.254 2.897 20 0 GFADRO CC(C)c1ccccc1NC(=O)c1cc(Br)cn(CC[NH3+])c1=O ZINC000911930866 664262211 /nfs/dbraw/zinc/26/22/11/664262211.db2.gz HNNQNOLYDMFLOB-UHFFFAOYSA-N 1 0 378.270 2.945 20 0 GFADRO CC(C)[C@H](NC(=O)c1cc(Br)cn(CC[NH3+])c1=O)c1ccccc1 ZINC000912115782 664271004 /nfs/dbraw/zinc/27/10/04/664271004.db2.gz OVCWSRRSLDOEPQ-INIZCTEOSA-N 1 0 392.297 2.697 20 0 GFADRO [NH3+]CCn1cc(Br)cc(C(=O)N2CCC[C@H]2c2ccccc2)c1=O ZINC000912170208 664273628 /nfs/dbraw/zinc/27/36/28/664273628.db2.gz CNHPHGGEIIGPPR-INIZCTEOSA-N 1 0 390.281 2.547 20 0 GFADRO COc1c(Br)cc(Cl)cc1NC(=O)C[C@]1(O)CCC[NH2+]C1 ZINC000912189442 664275030 /nfs/dbraw/zinc/27/50/30/664275030.db2.gz UTUFWOBWYAOMOF-CQSZACIVSA-N 1 0 377.666 2.554 20 0 GFADRO COc1cc(NC(=O)[C@@H]2CC[NH2+][C@@H]([C@@H]3CCCO3)C2)ccc1Br ZINC000912438680 664286824 /nfs/dbraw/zinc/28/68/24/664286824.db2.gz QYAHXGBKRXGAOR-DFBGVHRSSA-N 1 0 383.286 2.943 20 0 GFADRO CC(C)[C@@H]([NH3+])C(=O)NCCC(=O)N1CCC[C@H]1c1cccc(Br)c1 ZINC000912465025 664288523 /nfs/dbraw/zinc/28/85/23/664288523.db2.gz YZHAFQVNXSGVMW-DOTOQJQBSA-N 1 0 396.329 2.602 20 0 GFADRO Cc1nc(CSc2ccc(C(=O)N(C)CC[N@H+](C)CCO)cc2)cs1 ZINC000912610968 664294785 /nfs/dbraw/zinc/29/47/85/664294785.db2.gz QCFNDFRMEDSTFH-UHFFFAOYSA-N 1 0 379.551 2.740 20 0 GFADRO O=C(c1cc(=O)c2cc(Br)ccc2[nH]1)N1CCC([NH+]2CCC2)CC1 ZINC000912879383 664307265 /nfs/dbraw/zinc/30/72/65/664307265.db2.gz YSINRXNUWXDLGH-UHFFFAOYSA-N 1 0 390.281 2.601 20 0 GFADRO C[NH+](C)[C@@H](CC(=O)Nc1n[nH]cc1I)c1ccccc1 ZINC000912887861 664308290 /nfs/dbraw/zinc/30/82/90/664308290.db2.gz MBMWLMKPLRCRMA-LBPRGKRZSA-N 1 0 384.221 2.646 20 0 GFADRO O=C(c1cc(Br)ncc1Br)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000912900497 664309100 /nfs/dbraw/zinc/30/91/00/664309100.db2.gz LOEQBCLQYVTTSV-SECBINFHSA-N 1 0 389.091 2.527 20 0 GFADRO O=C([C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000912920574 664310314 /nfs/dbraw/zinc/31/03/14/664310314.db2.gz YZNSVICGSMVTJA-ZIAGYGMSSA-N 1 0 382.291 2.653 20 0 GFADRO CCOc1cc(Br)c(CC(=O)NC23CC[NH+](CC2)C3)cc1OCC ZINC000913626480 664346801 /nfs/dbraw/zinc/34/68/01/664346801.db2.gz TXLAKPHZORIQMX-UHFFFAOYSA-N 1 0 397.313 2.753 20 0 GFADRO C[NH+](C)CC1(O)CCN(C(=O)c2ccc(Br)c(Cl)c2)CC1 ZINC000913678980 664349332 /nfs/dbraw/zinc/34/93/32/664349332.db2.gz HDEXYICVTZXIRT-UHFFFAOYSA-N 1 0 375.694 2.631 20 0 GFADRO CN(Cc1cccc(C(F)(F)F)c1)S(=O)(=O)C[C@@]12CC[N@H+](C1)CCC2 ZINC000913939580 664367354 /nfs/dbraw/zinc/36/73/54/664367354.db2.gz JCTFPYSBXMRQMY-INIZCTEOSA-N 1 0 376.444 2.953 20 0 GFADRO CC(C)[C@@H](CNC(=O)NCc1cnc(Br)cn1)[NH+]1CCC(C)CC1 ZINC000914066229 664373978 /nfs/dbraw/zinc/37/39/78/664373978.db2.gz RCVHBXLAWFTRJO-OAHLLOKOSA-N 1 0 398.349 2.795 20 0 GFADRO COC1CC[NH+](C(C)(C)CNS(=O)(=O)c2cscc2C(F)F)CC1 ZINC000914078057 664374850 /nfs/dbraw/zinc/37/48/50/664374850.db2.gz GEHYEPOAGSJKJA-UHFFFAOYSA-N 1 0 382.498 2.853 20 0 GFADRO O=C(OCC[NH+]1CCCCC1)[C@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000914084016 664375510 /nfs/dbraw/zinc/37/55/10/664375510.db2.gz LTWPDMLDLHOZFJ-AWEZNQCLSA-N 1 0 395.297 2.831 20 0 GFADRO C[N@@H+]1CC[C@H]2[C@H](CCCN2S(=O)(=O)Cc2ccsc2Br)C1 ZINC000914268211 664392831 /nfs/dbraw/zinc/39/28/31/664392831.db2.gz UUWXVUUQANSNHO-YPMHNXCESA-N 1 0 393.372 2.757 20 0 GFADRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2S(=O)(=O)c2cnc(-c3ccccc3)s2)C1 ZINC000914268201 664392891 /nfs/dbraw/zinc/39/28/91/664392891.db2.gz URNJFAFVMGLILQ-JKSUJKDBSA-N 1 0 377.535 2.915 20 0 GFADRO O=C(NCCc1nc2ccccc2s1)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000914389804 664405439 /nfs/dbraw/zinc/40/54/39/664405439.db2.gz ICUZNIPRZKJZAC-ZFWWWQNUSA-N 1 0 376.551 2.718 20 0 GFADRO CSCCCNC(=S)NCCCN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000914704253 664414237 /nfs/dbraw/zinc/41/42/37/664414237.db2.gz VCHKDMAXUXHJDX-GOSISDBHSA-N 1 0 380.627 2.582 20 0 GFADRO COc1ccccc1[C@@H](O)C[NH2+]C[C@H](O)COc1cccc(Br)c1 ZINC000915227381 664424578 /nfs/dbraw/zinc/42/45/78/664424578.db2.gz TZNMDOFEDPSIPP-YOEHRIQHSA-N 1 0 396.281 2.521 20 0 GFADRO O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)c1cc(F)ccc1Br ZINC000915622573 664435565 /nfs/dbraw/zinc/43/55/65/664435565.db2.gz RYKTZUVASQPNGA-AWEZNQCLSA-N 1 0 385.277 2.961 20 0 GFADRO CCCC[NH+]1CCC(NC(=O)NCC2(n3cc(Br)cn3)CC2)CC1 ZINC000915711834 664438783 /nfs/dbraw/zinc/43/87/83/664438783.db2.gz KOMUZNJVDIEBTA-UHFFFAOYSA-N 1 0 398.349 2.698 20 0 GFADRO CC[NH+](CC)CCOC(=O)[C@H]1CCN(c2ccccc2Br)C1=O ZINC000916092689 664449400 /nfs/dbraw/zinc/44/94/00/664449400.db2.gz ZXMAAEDLGVMZGI-ZDUSSCGKSA-N 1 0 383.286 2.687 20 0 GFADRO CC[N@H+](CCNC(=O)NC1(c2ncc(Br)cn2)CCC1)C(C)C ZINC000916161409 664452545 /nfs/dbraw/zinc/45/25/45/664452545.db2.gz ORYQJGUAQXQCAX-UHFFFAOYSA-N 1 0 384.322 2.648 20 0 GFADRO O=C(C[NH2+]C[C@@H](O)c1ccccc1)Nc1ccc(I)cc1 ZINC000916570947 664465281 /nfs/dbraw/zinc/46/52/81/664465281.db2.gz HMLFDPQNLPUAAH-OAHLLOKOSA-N 1 0 396.228 2.553 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(S(=O)(=O)c3cc(Cl)ccc3Br)C[C@@H]2C1 ZINC000916662154 664468218 /nfs/dbraw/zinc/46/82/18/664468218.db2.gz MOHQFVVUYPMJAZ-MNOVXSKESA-N 1 0 393.734 2.675 20 0 GFADRO COC(=O)c1ccc(S(=O)(=O)NC[C@@H](C(C)C)[NH+]2CCC(C)CC2)s1 ZINC000917653067 664487977 /nfs/dbraw/zinc/48/79/77/664487977.db2.gz LLROJXZCVMDBGR-AWEZNQCLSA-N 1 0 388.555 2.570 20 0 GFADRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)NC1(c2ncc(Br)cn2)CCC1 ZINC000917899099 664492340 /nfs/dbraw/zinc/49/23/40/664492340.db2.gz RILBCLYKTAHIJV-CQSZACIVSA-N 1 0 396.333 2.792 20 0 GFADRO O=C(NCc1cnc(Cl)cn1)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000918129819 664495652 /nfs/dbraw/zinc/49/56/52/664495652.db2.gz XFIFMSLTRJCBOM-UHFFFAOYSA-N 1 0 383.949 2.681 20 0 GFADRO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)N1CCC[C@H]1c1ncc(Br)cn1 ZINC000919628284 664515886 /nfs/dbraw/zinc/51/58/86/664515886.db2.gz QYIAXNUFRWOBRO-CABCVRRESA-N 1 0 394.317 2.570 20 0 GFADRO O=C(Cn1ccnc1Br)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000919878695 664519066 /nfs/dbraw/zinc/51/90/66/664519066.db2.gz KGSGLXMCFYKALG-UHFFFAOYSA-N 1 0 395.326 2.833 20 0 GFADRO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NS(=O)(=O)c3cc(C)sc3C)C2)[C@H]1C(C)C ZINC000920294761 664524243 /nfs/dbraw/zinc/52/42/43/664524243.db2.gz CTFMHOKJOPMSGC-AHCXZYCDSA-N 1 0 386.583 2.513 20 0 GFADRO CC1(C)NC(=O)N(CC[N@@H+]2CCC[C@H]2Cc2ccc(Br)cc2)C1=O ZINC000920762806 664530864 /nfs/dbraw/zinc/53/08/64/664530864.db2.gz YGYORIAYWMMABP-HNNXBMFYSA-N 1 0 394.313 2.786 20 0 GFADRO CCCN(CC[NH+](C)C)C(=O)/C=C/c1ccc(I)o1 ZINC000921091429 664536782 /nfs/dbraw/zinc/53/67/82/664536782.db2.gz INORSTLVCHGHPQ-SOFGYWHQSA-N 1 0 376.238 2.698 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)NC2(c3ncc(Br)cn3)CCC2)C1 ZINC000921330067 664541857 /nfs/dbraw/zinc/54/18/57/664541857.db2.gz BNNWGLAOOMKJMT-UONOGXRCSA-N 1 0 396.333 2.790 20 0 GFADRO CC[N@@H+]1C[C@H](C)[C@H](NC(=O)N2CCCC[C@H]2c2ncc(Br)cn2)C1 ZINC000921406069 664547416 /nfs/dbraw/zinc/54/74/16/664547416.db2.gz BYDFNEMJAHIIHV-CFVMTHIKSA-N 1 0 396.333 2.816 20 0 GFADRO C[NH+](C)CC[C@H](NS(=O)(=O)C[C@@]1(C)CC1(Cl)Cl)c1cccnc1 ZINC000921479199 664550013 /nfs/dbraw/zinc/55/00/13/664550013.db2.gz CWRQOPQCZYTDTQ-UONOGXRCSA-N 1 0 380.341 2.578 20 0 GFADRO COc1cc(Cl)ccc1S(=O)(=O)N[C@H](CC[NH+](C)C)c1cccnc1 ZINC000921482414 664550320 /nfs/dbraw/zinc/55/03/20/664550320.db2.gz LXDZEDWOKPLHRT-OAHLLOKOSA-N 1 0 383.901 2.715 20 0 GFADRO CC1([NH+]2CCC2)CCC(NS(=O)(=O)N=[S@](C)(=O)C2CCCCC2)CC1 ZINC000921718086 664563895 /nfs/dbraw/zinc/56/38/95/664563895.db2.gz VUXUNOQWMFQNPU-NQVMDJNJSA-N 1 0 391.603 2.658 20 0 GFADRO Cc1nc(C[NH2+][C@H]2CCN(c3ccccc3C(N)=O)C2)sc1Br ZINC000921730267 664564959 /nfs/dbraw/zinc/56/49/59/664564959.db2.gz XDKYURSRDNXURF-NSHDSACASA-N 1 0 395.326 2.681 20 0 GFADRO C[C@@H](C[NH2+]Cc1c2c(nn1C)CCOC2)Oc1ccc(Br)cc1 ZINC000921799792 664569378 /nfs/dbraw/zinc/56/93/78/664569378.db2.gz QOIJPJAPVNRLCS-LBPRGKRZSA-N 1 0 380.286 2.812 20 0 GFADRO O=S(=O)(CC[NH2+]Cc1cc2c(cc(F)cc2Br)[nH]1)CC1CC1 ZINC000921863999 664573998 /nfs/dbraw/zinc/57/39/98/664573998.db2.gz YSCXZJSSSPCPCK-UHFFFAOYSA-N 1 0 389.290 2.984 20 0 GFADRO O=S(=O)(Cc1cc(Cl)cc(Cl)c1)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000921908196 664575690 /nfs/dbraw/zinc/57/56/90/664575690.db2.gz LGQAFLLOBTUMPY-MRXNPFEDSA-N 1 0 393.336 2.666 20 0 GFADRO Cc1nc(C[NH2+]C[C@@H](Cc2ccc(F)cc2)C(N)=O)sc1Br ZINC000921947575 664578063 /nfs/dbraw/zinc/57/80/63/664578063.db2.gz JCIIYJVNTPLCLB-LLVKDONJSA-N 1 0 386.290 2.787 20 0 GFADRO Cn1nc2c(c1C[NH2+]C[C@@H](CO)Cc1cc(Br)ccc1F)CCC2 ZINC000922163136 664588444 /nfs/dbraw/zinc/58/84/44/664588444.db2.gz ZVMVGJYRFDPNCX-LBPRGKRZSA-N 1 0 396.304 2.751 20 0 GFADRO O=C(NCc1ccsc1Br)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000922370166 664597258 /nfs/dbraw/zinc/59/72/58/664597258.db2.gz GYDPIWPDBYXQKG-CYBMUJFWSA-N 1 0 388.331 2.563 20 0 GFADRO C[C@@H](NC(=O)NCc1cn(C)nc1Br)[C@@H](c1ccccc1)[NH+](C)C ZINC000922412385 664600549 /nfs/dbraw/zinc/60/05/49/664600549.db2.gz CSDOATXZBFFWMT-DOMZBBRYSA-N 1 0 394.317 2.673 20 0 GFADRO C[NH+]1CCC(CC(=O)N[C@@H]2CCc3cc(Br)ccc3NC2=O)CC1 ZINC000922510653 664605067 /nfs/dbraw/zinc/60/50/67/664605067.db2.gz DFHIBUWAGHMQJH-MRXNPFEDSA-N 1 0 394.313 2.551 20 0 GFADRO CS(=O)(=O)c1ccccc1CC[NH2+]Cc1c(F)cncc1Br ZINC000922681655 664610662 /nfs/dbraw/zinc/61/06/62/664610662.db2.gz QXQBVSOKSYKIJU-UHFFFAOYSA-N 1 0 387.274 2.719 20 0 GFADRO O=C1C[C@@H](CC[NH2+]Cc2cc(Br)sc2Br)CN1 ZINC000922778785 664614305 /nfs/dbraw/zinc/61/43/05/664614305.db2.gz JOXBWMHPAIRYPG-SSDOTTSWSA-N 1 0 382.121 2.889 20 0 GFADRO Cn1cc(C[NH2+]C[C@H]2CCCC3(CCC3)O2)c(I)n1 ZINC000922814479 664615460 /nfs/dbraw/zinc/61/54/60/664615460.db2.gz ZPLMZPRYTPJBOK-GFCCVEGCSA-N 1 0 375.254 2.606 20 0 GFADRO Brc1ccccc1CN1CCC([NH2+]CCO[C@H]2CCOC2)CC1 ZINC000922942223 664619530 /nfs/dbraw/zinc/61/95/30/664619530.db2.gz ZQPHPPRGBCRHFG-KRWDZBQOSA-N 1 0 383.330 2.809 20 0 GFADRO CS(=O)(=O)c1cccc(Cl)c1C[NH2+]CCc1cccc2c1OCCO2 ZINC000922945733 664619636 /nfs/dbraw/zinc/61/96/36/664619636.db2.gz XPIDSVTWCCJORO-UHFFFAOYSA-N 1 0 381.881 2.847 20 0 GFADRO Brc1cnc(C2([NH2+][C@@H]3CCOC4(CCOCC4)C3)CCC2)nc1 ZINC000923001628 664620723 /nfs/dbraw/zinc/62/07/23/664620723.db2.gz VMRFKPOOIDCLLA-CQSZACIVSA-N 1 0 382.302 2.936 20 0 GFADRO COCCOCC[N@H+](C)CCC(=O)Nc1c[nH]c2ccc(Br)cc12 ZINC000923161508 664623256 /nfs/dbraw/zinc/62/32/56/664623256.db2.gz UQSXJVCXTQLUQI-UHFFFAOYSA-N 1 0 398.301 2.854 20 0 GFADRO O=C(NCc1cnc(Cl)s1)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000923247886 664626114 /nfs/dbraw/zinc/62/61/14/664626114.db2.gz RONNFODCVCYVMM-UHFFFAOYSA-N 1 0 379.917 2.903 20 0 GFADRO O[C@H](COc1cc(Cl)ccc1Cl)CN1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000923349867 664628818 /nfs/dbraw/zinc/62/88/18/664628818.db2.gz XPVUIARZXUBRBV-DOTOQJQBSA-N 1 0 382.291 2.775 20 0 GFADRO COC(=O)c1cc(Br)c(CN2CC[C@]3(CCC[NH2+]3)C2)cc1OC ZINC000923380604 664629277 /nfs/dbraw/zinc/62/92/77/664629277.db2.gz PYBZTLNWFCWDJI-QGZVFWFLSA-N 1 0 383.286 2.572 20 0 GFADRO [NH3+]C[C@@H]1CN(C[C@H](O)COc2ccc(Cl)cc2Cl)C[C@H]1C(F)(F)F ZINC000923427690 664630223 /nfs/dbraw/zinc/63/02/23/664630223.db2.gz UWZQPJCYYBUZMY-ADEWGFFLSA-N 1 0 387.229 2.802 20 0 GFADRO O=C(NCc1csc(C(F)(F)F)c1)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000923463841 664630983 /nfs/dbraw/zinc/63/09/83/664630983.db2.gz IAJPAIDJJFKGAC-CYBMUJFWSA-N 1 0 377.432 2.819 20 0 GFADRO Cc1ccc(Cl)c(S(=O)(=O)N2CCC3(CO[C@@H](C[NH3+])C3)CC2)c1Cl ZINC000923687446 664635820 /nfs/dbraw/zinc/63/58/20/664635820.db2.gz XUDOODNKKAHAKC-GFCCVEGCSA-N 1 0 393.336 2.820 20 0 GFADRO Cc1cc(Br)ccc1CS(=O)(=O)N1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923704194 664636571 /nfs/dbraw/zinc/63/65/71/664636571.db2.gz SXQFCULLIHBACV-QWHCGFSZSA-N 1 0 375.332 2.504 20 0 GFADRO C[C@H](OC(=O)COC1CC[NH+](C)CC1)C(=O)Nc1ccc(Cl)cc1Cl ZINC000923795100 664638092 /nfs/dbraw/zinc/63/80/92/664638092.db2.gz IGDWEFZJARUNMD-NSHDSACASA-N 1 0 389.279 2.974 20 0 GFADRO Brc1ccn2cc(-c3noc([C@@H]4C[N@@H+]5CCC[C@@H]5CO4)n3)nc2c1 ZINC000924073523 664646077 /nfs/dbraw/zinc/64/60/77/664646077.db2.gz GMMQMTIWZXJMOR-YPMHNXCESA-N 1 0 390.241 2.683 20 0 GFADRO C[NH+](C)C[C@H]1NC(=O)N([C@H](c2cc(F)cc(Br)c2)C2CC2)C1=O ZINC000924729349 664660345 /nfs/dbraw/zinc/66/03/45/664660345.db2.gz MNWRRKQASIXIMV-KGLIPLIRSA-N 1 0 384.249 2.521 20 0 GFADRO C[NH+](C)C[C@@H]1NC(=O)N(Cc2cc(Cl)cc(Cl)c2OC(F)F)C1=O ZINC000924729514 664660366 /nfs/dbraw/zinc/66/03/66/664660366.db2.gz LOGWXZSXPKRZQH-JTQLQIEISA-N 1 0 382.194 2.577 20 0 GFADRO COc1cc(C[NH2+][C@@H](C)C2(Br)CC2)ccc1OCC(=O)N(C)C ZINC000924817802 664662320 /nfs/dbraw/zinc/66/23/20/664662320.db2.gz LXOVZOKZIPTJAT-LBPRGKRZSA-N 1 0 385.302 2.568 20 0 GFADRO C[C@H]([NH2+]Cc1ccc(Br)c(F)c1)C1CCN(S(C)(=O)=O)CC1 ZINC000924863786 664662919 /nfs/dbraw/zinc/66/29/19/664662919.db2.gz YZHCPNYQGHPSKR-NSHDSACASA-N 1 0 393.322 2.738 20 0 GFADRO C[C@@H]([NH2+][C@H](c1nccs1)c1ccccc1)C1CCN(S(C)(=O)=O)CC1 ZINC000924864393 664663010 /nfs/dbraw/zinc/66/30/10/664663010.db2.gz LLVNBIRRKUYRON-PBHICJAKSA-N 1 0 379.551 2.882 20 0 GFADRO Cc1ccc(C[C@@H](C)[NH2+][C@@H](C)c2ccc(S(=O)(=O)CC(N)=O)cc2)s1 ZINC000925098934 664666801 /nfs/dbraw/zinc/66/68/01/664666801.db2.gz ONTLLNNKWQRNCY-OCCSQVGLSA-N 1 0 380.535 2.597 20 0 GFADRO C[C@@H]([NH2+]C[C@H](O)c1cc(Cl)cc(Cl)c1)C1CCN(S(C)(=O)=O)CC1 ZINC000925093086 664666827 /nfs/dbraw/zinc/66/68/27/664666827.db2.gz KWKBDIJQVDXQNE-BZNIZROVSA-N 1 0 395.352 2.677 20 0 GFADRO CN1C(=O)N(CC[N@@H+]2CCCOCC2)C(=O)[C@H]1c1cccc(Cl)c1Cl ZINC000925351763 664670924 /nfs/dbraw/zinc/67/09/24/664670924.db2.gz YPIJTTDPVNMIDC-OAHLLOKOSA-N 1 0 386.279 2.651 20 0 GFADRO CCC[N@@H+]1CC[C@@H](N2C(=O)N[C@H](c3ccc(OC)c(Br)c3)C2=O)C1 ZINC000925359269 664670938 /nfs/dbraw/zinc/67/09/38/664670938.db2.gz OAVVBGZJUBWCHH-IUODEOHRSA-N 1 0 396.285 2.535 20 0 GFADRO CCc1nc2n(n1)C[C@H]([NH2+][C@@H]1CCCc3ncc(Br)cc31)CC2 ZINC000925369106 664671212 /nfs/dbraw/zinc/67/12/12/664671212.db2.gz BFTWOCVPKVOAPF-IUODEOHRSA-N 1 0 376.302 2.980 20 0 GFADRO O=C(NCC[NH2+][C@H](C1CCC1)[C@@H]1CCOC1)c1cccc(Br)c1 ZINC000925402082 664671901 /nfs/dbraw/zinc/67/19/01/664671901.db2.gz ZUVWZXXUWMXIIL-NVXWUHKLSA-N 1 0 381.314 2.974 20 0 GFADRO O=C(NCC[NH2+][C@H](C1CC1)[C@@H]1CCCOC1)c1cccc(Br)c1 ZINC000925401758 664671906 /nfs/dbraw/zinc/67/19/06/664671906.db2.gz WMGYTHKESNQMOY-NVXWUHKLSA-N 1 0 381.314 2.974 20 0 GFADRO O=C(NCC[NH2+][C@H](C1CCC1)[C@H]1CCOC1)c1cccc(Br)c1 ZINC000925402081 664671950 /nfs/dbraw/zinc/67/19/50/664671950.db2.gz ZUVWZXXUWMXIIL-DOTOQJQBSA-N 1 0 381.314 2.974 20 0 GFADRO C[C@@H]([NH2+]C[C@H](O)c1c(Cl)cccc1Cl)C1CCN(S(C)(=O)=O)CC1 ZINC000925461306 664672523 /nfs/dbraw/zinc/67/25/23/664672523.db2.gz ICWOSXISVRQLBC-ABAIWWIYSA-N 1 0 395.352 2.677 20 0 GFADRO O[C@H](C[NH2+][C@H](C1CC1)C1CCOCC1)COc1ccccc1Br ZINC000925544465 664672926 /nfs/dbraw/zinc/67/29/26/664672926.db2.gz RWAROMZFKSIFPO-CRAIPNDOSA-N 1 0 384.314 2.984 20 0 GFADRO O=S1(=O)CCNC[C@@H]1CC[NH2+][C@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000925790959 664674728 /nfs/dbraw/zinc/67/47/28/664674728.db2.gz CXEHRGKGMTXAFS-HOTGVXAUSA-N 1 0 376.444 2.523 20 0 GFADRO COc1cc(Br)c(NC(=O)N2CC[C@@H](C[NH3+])[C@@H](C)C2)cc1OC ZINC000925972576 664678497 /nfs/dbraw/zinc/67/84/97/664678497.db2.gz GRUABSNRBZOLBT-QWRGUYRKSA-N 1 0 386.290 2.915 20 0 GFADRO CC1(C)CN(C(=O)Nc2cnc(Br)c(Br)c2)C[C@H]1[NH3+] ZINC000926062222 664680482 /nfs/dbraw/zinc/68/04/82/664680482.db2.gz XNUVQKASFRMVOK-SECBINFHSA-N 1 0 392.095 2.808 20 0 GFADRO CCOC(=O)c1c(C)csc1NC(=O)N1CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000926075626 664680869 /nfs/dbraw/zinc/68/08/69/664680869.db2.gz XAZORXSGXKXAGX-ZJUUUORDSA-N 1 0 379.404 2.977 20 0 GFADRO CC1(C)CN(C(=O)Nc2cccc(F)c2I)C[C@@H]1[NH3+] ZINC000926080177 664681171 /nfs/dbraw/zinc/68/11/71/664681171.db2.gz QNTMKJDJNYMKQB-JTQLQIEISA-N 1 0 377.201 2.631 20 0 GFADRO COC(=O)c1cc(NC(=O)N2CC[C@@H](C[NH3+])[C@H](C)C2)ccc1Br ZINC000926085543 664681294 /nfs/dbraw/zinc/68/12/94/664681294.db2.gz WJQUZVWUAATINS-MNOVXSKESA-N 1 0 384.274 2.684 20 0 GFADRO COc1cc(NC(=O)N2C[C@@H](C)[C@H](CC[NH3+])C2)cc(OC)c1Br ZINC000926085696 664681404 /nfs/dbraw/zinc/68/14/04/664681404.db2.gz ZEHHYJVDMXDLKY-GHMZBOCLSA-N 1 0 386.290 2.915 20 0 GFADRO Cc1cc(NC(=O)N2CC[C@@H](C(F)(F)F)[C@H]([NH3+])C2)cnc1Br ZINC000926088931 664681447 /nfs/dbraw/zinc/68/14/47/664681447.db2.gz CDOZJYGAGSPJJW-NXEZZACHSA-N 1 0 381.196 2.896 20 0 GFADRO CC1(C)CN(C(=O)Nc2ccn(-c3ccc(Br)cc3)n2)C[C@H]1[NH3+] ZINC000926124851 664682228 /nfs/dbraw/zinc/68/22/28/664682228.db2.gz GJXBWPIBNHHERB-CYBMUJFWSA-N 1 0 378.274 2.836 20 0 GFADRO C[NH2+]Cc1ccc(NC(=O)NCC2(n3cc(Br)cn3)CC2)cc1 ZINC000926163421 664683414 /nfs/dbraw/zinc/68/34/14/664683414.db2.gz IGNXHSQLIFIELG-UHFFFAOYSA-N 1 0 378.274 2.676 20 0 GFADRO CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)c1cc(Br)cs1)C2 ZINC000926176200 664683922 /nfs/dbraw/zinc/68/39/22/664683922.db2.gz NWGUMDSBJCYPPE-HLSYRSCKSA-N 1 0 387.343 2.720 20 0 GFADRO CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NC(=O)c1cccc(Br)c1)C2 ZINC000926191710 664684665 /nfs/dbraw/zinc/68/46/65/664684665.db2.gz CSLVJPFPDRHBLB-XLMAVXFVSA-N 1 0 381.314 2.659 20 0 GFADRO CC(C)[C@@H](CC(F)(F)F)[NH2+][C@H](C)c1ccc(S(=O)(=O)CC(N)=O)cc1 ZINC000926236379 664684913 /nfs/dbraw/zinc/68/49/13/664684913.db2.gz NVRBNWOBLSIAMN-BXUZGUMPSA-N 1 0 380.432 2.573 20 0 GFADRO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NC(=O)c3coc(Br)c3)C2)[C@@H]1C(C)C ZINC000926258003 664685801 /nfs/dbraw/zinc/68/58/01/664685801.db2.gz CXTAHKHIXRTDES-LGWLGOQQSA-N 1 0 385.302 2.642 20 0 GFADRO CCn1nc(C)c([C@@H](C)[NH2+]C[C@@H](CO)Cc2cccc(Br)c2)n1 ZINC000926284023 664686219 /nfs/dbraw/zinc/68/62/19/664686219.db2.gz JYYXOPRPQUJNDU-DOMZBBRYSA-N 1 0 381.318 2.871 20 0 GFADRO COc1cc(Br)cc(CNC(=O)N(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)c1 ZINC000926288123 664686427 /nfs/dbraw/zinc/68/64/27/664686427.db2.gz ZTRXRHMHCUEBCM-BLLLJJGKSA-N 1 0 384.318 2.939 20 0 GFADRO CCS(=O)(=O)c1ccc(C[NH2+][C@@H](C)c2cccc(-n3cnnc3)c2)s1 ZINC000926324415 664687830 /nfs/dbraw/zinc/68/78/30/664687830.db2.gz FCUCRDYYBJYXIA-ZDUSSCGKSA-N 1 0 376.507 2.973 20 0 GFADRO O=S(=O)(NCC[NH2+]C1C[C@H]2CC[C@@H](C1)S2)c1ccc(F)cc1Cl ZINC000926368484 664688823 /nfs/dbraw/zinc/68/88/23/664688823.db2.gz CLCWVJOCNNHBTH-YHWZYXNKSA-N 1 0 378.922 2.774 20 0 GFADRO Cc1noc(C)c1[C@@H](C)[NH2+]CCNS(=O)(=O)c1ccc(F)cc1Cl ZINC000926370002 664688963 /nfs/dbraw/zinc/68/89/63/664688963.db2.gz MORSQQQSXRPBHF-SECBINFHSA-N 1 0 375.853 2.713 20 0 GFADRO CCON1CCC([NH2+]C[C@H](CO)Cc2ccc(F)c(Br)c2)CC1 ZINC000926542643 664692042 /nfs/dbraw/zinc/69/20/42/664692042.db2.gz OOWDLPUZUMUIHO-CQSZACIVSA-N 1 0 389.309 2.745 20 0 GFADRO C[C@@H]1C[C@H]([NH2+]C[C@@H](CO)Cc2ccc(F)c(Br)c2)c2ncnn21 ZINC000926543892 664692157 /nfs/dbraw/zinc/69/21/57/664692157.db2.gz MWOHRQXQOVKGBH-GMXABZIVSA-N 1 0 383.265 2.626 20 0 GFADRO C[C@H]([NH2+]C1CCN(Cc2cccc(Br)c2)CC1)c1cnn(C)n1 ZINC000926601022 664693543 /nfs/dbraw/zinc/69/35/43/664693543.db2.gz ZHBZHKNELCCREF-ZDUSSCGKSA-N 1 0 378.318 2.893 20 0 GFADRO C[C@H]([NH2+]CC[C@@H]1CSc2ccccc2O1)C1CCN(S(C)(=O)=O)CC1 ZINC000926630779 664694107 /nfs/dbraw/zinc/69/41/07/664694107.db2.gz YNSROIOEYYHKQX-GOEBONIOSA-N 1 0 384.567 2.580 20 0 GFADRO C[C@H]([NH2+]C[C@@H]1CN(Cc2ccncc2)CCO1)c1cccc(Br)n1 ZINC000926771028 664696314 /nfs/dbraw/zinc/69/63/14/664696314.db2.gz JTXPDZSZCOYQGG-GOEBONIOSA-N 1 0 391.313 2.791 20 0 GFADRO C[C@@H]([NH2+][C@@H]1CCO[C@H]1c1ccc(Cl)cc1)C1CCN(S(C)(=O)=O)CC1 ZINC000926780191 664696510 /nfs/dbraw/zinc/69/65/10/664696510.db2.gz WYHXZWMKERNISL-XWIAVFTESA-N 1 0 386.945 2.820 20 0 GFADRO O=C1OC[C@@]2(C[NH2+]C(CCC(F)(F)F)CCC(F)(F)F)COCCN12 ZINC000926794650 664696716 /nfs/dbraw/zinc/69/67/16/664696716.db2.gz AFXCMSBDMCJLJV-GFCCVEGCSA-N 1 0 378.313 2.851 20 0 GFADRO C[C@@H](C[C@H]1CCC(=O)N1)[NH2+]Cc1ccn(-c2ccc(Br)cc2)n1 ZINC000926874444 664698214 /nfs/dbraw/zinc/69/82/14/664698214.db2.gz TYAOIRYXUWMDCK-GXTWGEPZSA-N 1 0 377.286 2.782 20 0 GFADRO O=C1CC[C@@H]([NH2+][C@@H]2CCCc3ncc(Br)cc32)[C@H]([C@@H]2CCCO2)N1 ZINC000926881377 664698550 /nfs/dbraw/zinc/69/85/50/664698550.db2.gz UHXCIWFLMBEAPR-XLMAVXFVSA-N 1 0 394.313 2.637 20 0 GFADRO Brc1cccc([C@H]([NH2+]C[C@@H]2C[C@@H]3COC[C@@H]3O2)[C@H]2CCOC2)c1 ZINC000926944049 664699369 /nfs/dbraw/zinc/69/93/69/664699369.db2.gz YBEOBLAKIJLIQO-YFUQURRKSA-N 1 0 382.298 2.920 20 0 GFADRO C[C@H]([NH2+]CC[C@H]1CNC(=O)C1)c1ccc(F)c(I)c1 ZINC000926981650 664701090 /nfs/dbraw/zinc/70/10/90/664701090.db2.gz XFJBXISPIWQSEY-VHSXEESVSA-N 1 0 376.213 2.607 20 0 GFADRO CCO[C@@H]1C[C@H]([NH2+]CC2(n3cc(Br)cn3)CC2)C12CCOCC2 ZINC000927003756 664702036 /nfs/dbraw/zinc/70/20/36/664702036.db2.gz BZSRSYWAHLXXGT-LSDHHAIUSA-N 1 0 384.318 2.699 20 0 GFADRO CCC[C@@H](O)CC[NH2+][C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000927016320 664702217 /nfs/dbraw/zinc/70/22/17/664702217.db2.gz ILCYHDRZDIQQEZ-TZMCWYRMSA-N 1 0 376.316 2.808 20 0 GFADRO CN1CC[C@H]([NH2+]CCO[C@H]2CCOC2)C[C@H]1c1ccc(Br)cc1 ZINC000927082330 664703150 /nfs/dbraw/zinc/70/31/50/664703150.db2.gz DSXFXUUBBWSTJM-BZSNNMDCSA-N 1 0 383.330 2.980 20 0 GFADRO C[C@H]([NH2+]C[C@@H](O)c1ccnn1C)c1ccc(F)c(I)c1 ZINC000927125994 664704964 /nfs/dbraw/zinc/70/49/64/664704964.db2.gz CTIYSDSRGMSRPC-LKFCYVNXSA-N 1 0 389.212 2.548 20 0 GFADRO C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)C(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000927827983 664716294 /nfs/dbraw/zinc/71/62/94/664716294.db2.gz XRHHJQJVUQSWKU-RKDXNWHRSA-N 1 0 378.687 2.947 20 0 GFADRO C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)C(=O)Nc1ccc(C(F)(F)F)cc1Cl ZINC000927823105 664716330 /nfs/dbraw/zinc/71/63/30/664716330.db2.gz ABUFZCMLAZGPRS-NXEZZACHSA-N 1 0 377.794 2.659 20 0 GFADRO [NH3+][C@@H]1CN(C(=O)C(=O)Nc2ccc(Cl)cc2Cl)CC[C@@H]1C(F)(F)F ZINC000927847758 664716676 /nfs/dbraw/zinc/71/66/76/664716676.db2.gz MEFDNUSTYRISPD-WCBMZHEXSA-N 1 0 384.185 2.670 20 0 GFADRO Cc1cc(Cl)cc(NC(=O)C(=O)N2CC[C@H](CC[NH3+])C2)c1Br ZINC000927888994 664717388 /nfs/dbraw/zinc/71/73/88/664717388.db2.gz KAFNIISTYZGZIY-JTQLQIEISA-N 1 0 388.693 2.547 20 0 GFADRO C[NH+](C)CCn1nccc1C(=O)N1CCc2ccc(Br)c(F)c2C1 ZINC000928015323 664720140 /nfs/dbraw/zinc/72/01/40/664720140.db2.gz YAQBPKGNTLICSR-UHFFFAOYSA-N 1 0 395.276 2.545 20 0 GFADRO CN(CCC(=O)N1CCC[C@H]1c1ncc(Br)cn1)c1cc[nH+]cc1 ZINC000928359226 664730252 /nfs/dbraw/zinc/73/02/52/664730252.db2.gz UIIQQTATEQEZOC-HNNXBMFYSA-N 1 0 390.285 2.824 20 0 GFADRO C[NH+](C)CC[C@@H](NC(=O)Cc1cccnc1Br)c1cccnc1 ZINC000928834731 664740635 /nfs/dbraw/zinc/74/06/35/664740635.db2.gz WCUQVJSXTUCHGX-OAHLLOKOSA-N 1 0 377.286 2.591 20 0 GFADRO C[C@H](CC(=O)N[C@H](CC[NH+](C)C)c1cccnc1)n1cc(Br)cn1 ZINC000928831937 664740638 /nfs/dbraw/zinc/74/06/38/664740638.db2.gz PMCMSUAIVLNUTH-CZUORRHYSA-N 1 0 394.317 2.801 20 0 GFADRO Cc1cc(I)ccc1NC(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000929147087 664747062 /nfs/dbraw/zinc/74/70/62/664747062.db2.gz KQVRYNAMUKUYEZ-TXEJJXNPSA-N 1 0 385.249 2.625 20 0 GFADRO CC(C)(C)NS(=O)(=O)C1([C@H](O)C[N@@H+]2CCC[C@H]2c2ccsc2)CCC1 ZINC000929261743 664749034 /nfs/dbraw/zinc/74/90/34/664749034.db2.gz BPEJLUUQCNDAEY-JKSUJKDBSA-N 1 0 386.583 2.887 20 0 GFADRO C[C@@](O)(C[NH+]1CCC(NC(=O)c2ccsc2)CC1)C(F)(F)C(F)(F)F ZINC000929342386 664750743 /nfs/dbraw/zinc/75/07/43/664750743.db2.gz PWLUQAXRXAFQKA-CYBMUJFWSA-N 1 0 386.386 2.891 20 0 GFADRO C[NH+]1CCN(CCCNC(=O)C/C=C\c2ccc(Br)cc2)CC1 ZINC000929424477 664752237 /nfs/dbraw/zinc/75/22/37/664752237.db2.gz KDJKNVSFDXSOKC-RQOWECAXSA-N 1 0 380.330 2.606 20 0 GFADRO CCOC(=O)[C@@H](c1nc(Br)sc1C)N1CCC[N@H+](CC)CC1 ZINC000929481453 664753170 /nfs/dbraw/zinc/75/31/70/664753170.db2.gz FVNYPEKSJRQUCE-CYBMUJFWSA-N 1 0 390.347 2.846 20 0 GFADRO CS(=O)(=O)N1CC(C[NH+]2CCC(c3ccccc3C(F)(F)F)CC2)C1 ZINC000929838176 664758407 /nfs/dbraw/zinc/75/84/07/664758407.db2.gz GAISQNPJTPSHIE-UHFFFAOYSA-N 1 0 376.444 2.776 20 0 GFADRO Cc1cc(Br)ncc1NC(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000930320759 664767007 /nfs/dbraw/zinc/76/70/07/664767007.db2.gz SORGFRGWUMDSPV-YPMHNXCESA-N 1 0 385.331 2.854 20 0 GFADRO CC1(C)Cc2c(cccc2Br)[C@H]1[NH2+]CC1CN(S(C)(=O)=O)C1 ZINC000930561362 664773391 /nfs/dbraw/zinc/77/33/91/664773391.db2.gz XFXUOURHKCHQEH-OAHLLOKOSA-N 1 0 387.343 2.554 20 0 GFADRO Cn1cc(Br)c(C(=O)NCCCCCCC[NH+]2CCCC2)cc1=O ZINC000930589682 664773763 /nfs/dbraw/zinc/77/37/63/664773763.db2.gz MGUQHUXFUJRNFC-UHFFFAOYSA-N 1 0 398.345 2.924 20 0 GFADRO C[C@@H]1CC[C@H](C(N)=O)[C@@H](C)[N@@H+]1CCC(=O)Nc1ccccc1Br ZINC000930910607 664780782 /nfs/dbraw/zinc/78/07/82/664780782.db2.gz ZIQHVIKCEARMAC-UPJWGTAASA-N 1 0 382.302 2.752 20 0 GFADRO CC[NH+](CC)[C@H](CNC(=O)c1cc(=O)[nH]cc1Br)c1ccco1 ZINC000930915670 664780936 /nfs/dbraw/zinc/78/09/36/664780936.db2.gz KNKZLTUBOXTMRT-CYBMUJFWSA-N 1 0 382.258 2.956 20 0 GFADRO COc1cc(Br)cc(C(=O)N2CCC[N@H+](C[C@H]3CCCO3)CC2)c1 ZINC000930977635 664782308 /nfs/dbraw/zinc/78/23/08/664782308.db2.gz JWZYXWQXUHUDNL-MRXNPFEDSA-N 1 0 397.313 2.785 20 0 GFADRO CC[N@@H+]1CCC[C@@H](CNC(=O)c2cc(Br)c3nccnc3c2)C1 ZINC000931127639 664786667 /nfs/dbraw/zinc/78/66/67/664786667.db2.gz UOEAPMMXFHCUBQ-LBPRGKRZSA-N 1 0 377.286 2.854 20 0 GFADRO O=C(NC[C@H]1CCC[N@H+](Cc2cccs2)C1)c1ncc(Br)cn1 ZINC000931190933 664788065 /nfs/dbraw/zinc/78/80/65/664788065.db2.gz RQXZMUQEABOIPG-GFCCVEGCSA-N 1 0 395.326 2.943 20 0 GFADRO O=C(CN1CCC([N@@H+]2CCCOCC2)CC1)Nc1ccccc1Br ZINC000931289109 664790616 /nfs/dbraw/zinc/79/06/16/664790616.db2.gz XVOLKXLEWMKLMI-UHFFFAOYSA-N 1 0 396.329 2.574 20 0 GFADRO C[NH+](C)CC1(O)CCN(Cc2noc(-c3cccc(Cl)c3Cl)n2)CC1 ZINC000931479719 664796184 /nfs/dbraw/zinc/79/61/84/664796184.db2.gz ZUBJSFAQSGELAP-UHFFFAOYSA-N 1 0 385.295 2.932 20 0 GFADRO O=C(Nc1nc(CC(F)(F)F)cs1)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000931573101 664799117 /nfs/dbraw/zinc/79/91/17/664799117.db2.gz KBOQVTPUGSSRNC-QWRGUYRKSA-N 1 0 380.461 2.949 20 0 GFADRO C[C@@]1(Cc2cccc(Br)c2)CCC[N@@H+]1C[C@H](O)C1(O)CCOCC1 ZINC000931747176 664804232 /nfs/dbraw/zinc/80/42/32/664804232.db2.gz NKFYRXCOYLMQBN-ROUUACIJSA-N 1 0 398.341 2.749 20 0 GFADRO CC(C)N1CCC[C@@H]1C(=O)Nc1cc(N2CCCS2(=O)=O)ccc1Cl ZINC000931788550 664804966 /nfs/dbraw/zinc/80/49/66/664804966.db2.gz SXZGDMZPTVIGJR-MRXNPFEDSA-N 1 0 385.917 2.691 20 0 GFADRO O=C(C[N@@H+]1CC[C@@H](C2OCCO2)C1)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000932012001 664808829 /nfs/dbraw/zinc/80/88/29/664808829.db2.gz LHDUFWQQVRMKEN-SNVBAGLBSA-N 1 0 376.787 2.575 20 0 GFADRO C[C@@]1([C@H]2CCC[N@H+](C[C@H](O)c3ccc(Br)cc3)C2)COC(=O)N1 ZINC000932016660 664808920 /nfs/dbraw/zinc/80/89/20/664808920.db2.gz OEIHJLMDMWSYTC-QRTARXTBSA-N 1 0 383.286 2.693 20 0 GFADRO C[C@]1([C@H]2CCC[N@H+](C[C@H](O)c3cccc(Br)c3)C2)COC(=O)N1 ZINC000932030219 664809234 /nfs/dbraw/zinc/80/92/34/664809234.db2.gz RBAYFEPVZQIQLY-JLJPHGGASA-N 1 0 383.286 2.693 20 0 GFADRO CC(C)c1ncc(Br)c(C(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)n1 ZINC000932034850 664809335 /nfs/dbraw/zinc/80/93/35/664809335.db2.gz QRDQQRYEYSPOIY-CYBMUJFWSA-N 1 0 399.333 2.545 20 0 GFADRO CN(C)Cc1csc(CNC(=O)Nc2c(Cl)n(C)nc2C(F)(F)F)n1 ZINC000932090632 664809912 /nfs/dbraw/zinc/80/99/12/664809912.db2.gz YKIPZSUDNQMKDS-UHFFFAOYSA-N 1 0 396.826 2.932 20 0 GFADRO Cn1ccc([C@@H]2CCC[N@H+](C[C@H](O)COc3ccc(Br)cc3)C2)n1 ZINC000932139754 664810997 /nfs/dbraw/zinc/81/09/97/664810997.db2.gz RSTGFKYDMOBLNA-ZBFHGGJFSA-N 1 0 394.313 2.802 20 0 GFADRO C[NH+](C)CCN(C(=O)c1cc(Br)cn2ncnc12)C1CCCCC1 ZINC000932531774 664824793 /nfs/dbraw/zinc/82/47/93/664824793.db2.gz CDCNRDUCQAPGOU-UHFFFAOYSA-N 1 0 394.317 2.828 20 0 GFADRO Cc1ccc(Br)c(C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)n1 ZINC000932697116 664832207 /nfs/dbraw/zinc/83/22/07/664832207.db2.gz HYKATKTYANWATA-AWEZNQCLSA-N 1 0 382.302 2.526 20 0 GFADRO CCc1ccc(Br)cc1C(=O)NCCCN1CCC[N@H+](C)CC1 ZINC000932726845 664834007 /nfs/dbraw/zinc/83/40/07/664834007.db2.gz IDYRHNVOJWFDGI-UHFFFAOYSA-N 1 0 382.346 2.769 20 0 GFADRO Cc1ncc(NC(=O)N[C@@H](C)CC[NH+]2CCN(C)CC2)c(C)c1Br ZINC000932778024 664837430 /nfs/dbraw/zinc/83/74/30/664837430.db2.gz JUSQUKMFTUXRBZ-LBPRGKRZSA-N 1 0 398.349 2.608 20 0 GFADRO O[C@H](C[N@@H+]1CCC[C@@](O)(c2ccc(Br)cc2)C1)c1ccccn1 ZINC000932815142 664839921 /nfs/dbraw/zinc/83/99/21/664839921.db2.gz MOKXJJBCCQSZFY-MSOLQXFVSA-N 1 0 377.282 2.861 20 0 GFADRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)c1cc2cc(Br)cnc2n1C ZINC000932907877 664842636 /nfs/dbraw/zinc/84/26/36/664842636.db2.gz LJEOXPBMDAIUNZ-GFCCVEGCSA-N 1 0 379.302 2.750 20 0 GFADRO NS(=O)(=O)C[C@H]1CC[N@H+](Cc2cc(Br)c3ccccc3c2)C1 ZINC000932949052 664844674 /nfs/dbraw/zinc/84/46/74/664844674.db2.gz NKRDDTZQQONSFU-LBPRGKRZSA-N 1 0 383.311 2.713 20 0 GFADRO O[C@H](COc1cc(Cl)cc(Cl)c1)C[NH+]1CCC2(CC1)C[C@H](O)CCO2 ZINC000933057731 664848518 /nfs/dbraw/zinc/84/85/18/664848518.db2.gz YLYDZTMHGKGRBN-CVEARBPZSA-N 1 0 390.307 2.739 20 0 GFADRO O[C@@H](COc1cc(Cl)cc(Cl)c1)C[NH+]1CCC2(CC1)C[C@@H](O)CCO2 ZINC000933057742 664848542 /nfs/dbraw/zinc/84/85/42/664848542.db2.gz YLYDZTMHGKGRBN-JKSUJKDBSA-N 1 0 390.307 2.739 20 0 GFADRO O=S(=O)(C1CC[NH+](C[C@H](O)c2ccc(Cl)cc2)CC1)N1CCCCC1 ZINC000933088262 664849383 /nfs/dbraw/zinc/84/93/83/664849383.db2.gz CHAJVLAICKUWJK-SFHVURJKSA-N 1 0 386.945 2.654 20 0 GFADRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)c1ncc(Br)cn1 ZINC000933391279 664861752 /nfs/dbraw/zinc/86/17/52/664861752.db2.gz CMGDXLGCAPBZEC-AWEZNQCLSA-N 1 0 389.297 2.976 20 0 GFADRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)c1ncc(Br)cn1 ZINC000933391280 664861770 /nfs/dbraw/zinc/86/17/70/664861770.db2.gz CMGDXLGCAPBZEC-CQSZACIVSA-N 1 0 389.297 2.976 20 0 GFADRO C[C@@H](NC(=O)C[NH2+][C@]12C[C@H]1COC21CCC1)c1ccc(Br)cc1 ZINC000933393881 664862018 /nfs/dbraw/zinc/86/20/18/664862018.db2.gz LTBDDRNFGRFJEF-UVBSCNOISA-N 1 0 379.298 2.928 20 0 GFADRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1cc2cc(Br)cnc2n1C ZINC000933435116 664863811 /nfs/dbraw/zinc/86/38/11/664863811.db2.gz NMOSZTYNYABVCA-BXUZGUMPSA-N 1 0 379.302 2.748 20 0 GFADRO C[C@@H]1CCCN1C(=O)CC[NH2+][C@](C)(CO)Cc1ccc(Br)cc1 ZINC000933438759 664864301 /nfs/dbraw/zinc/86/43/01/664864301.db2.gz ZRDGMSRZBVIGNA-KDOFPFPSSA-N 1 0 383.330 2.733 20 0 GFADRO Cc1cccnc1NC(=O)C[NH2+][C@@](C)(CO)Cc1ccc(Br)cc1 ZINC000933443704 664864884 /nfs/dbraw/zinc/86/48/84/664864884.db2.gz YWHPXEMPGCSWLY-GOSISDBHSA-N 1 0 392.297 2.674 20 0 GFADRO O=Cc1cc(C(=O)NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c(Cl)s1 ZINC000933823932 664879018 /nfs/dbraw/zinc/87/90/18/664879018.db2.gz APAMQIVFDBBFAE-SFHVURJKSA-N 1 0 378.881 2.581 20 0 GFADRO CN(C(=O)c1ncc(Br)cn1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000933948142 664882726 /nfs/dbraw/zinc/88/27/26/664882726.db2.gz BLQFGAMQGPBXDM-MRXNPFEDSA-N 1 0 389.297 2.976 20 0 GFADRO OC[C@@H]1COc2ccccc2[C@@H]1[NH2+]C[C@@H](O)c1ccc(F)c(Br)c1 ZINC000934213738 664892483 /nfs/dbraw/zinc/89/24/83/664892483.db2.gz ZITFVGAEFORUTC-XHBKTUGNSA-N 1 0 396.256 2.953 20 0 GFADRO Cc1c(Br)cncc1NC(=O)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000934268351 664896332 /nfs/dbraw/zinc/89/63/32/664896332.db2.gz ALTSBYJQQXCLPK-CQSZACIVSA-N 1 0 397.317 2.871 20 0 GFADRO Cc1c(Br)cncc1NC(=O)N1CCC([NH2+]C2CCOCC2)CC1 ZINC000934278641 664897460 /nfs/dbraw/zinc/89/74/60/664897460.db2.gz QXTHKCGRSHEPPV-UHFFFAOYSA-N 1 0 397.317 2.917 20 0 GFADRO COC1CC[NH+](CCNC(=O)c2cc(Br)cnc2C2CC2)CC1 ZINC000934304034 664898044 /nfs/dbraw/zinc/89/80/44/664898044.db2.gz GNODCEAFMWTHBT-UHFFFAOYSA-N 1 0 382.302 2.562 20 0 GFADRO CN(C)[S@@](C)(=O)=NCC1CC[NH+](C[C@H](O)c2ccc(F)cc2Cl)CC1 ZINC000934751471 664918425 /nfs/dbraw/zinc/91/84/25/664918425.db2.gz JPOIGLXTCRTNCR-GKVSMKOHSA-N 1 0 391.940 2.799 20 0 GFADRO Cc1cccc(CC[NH2+][C@@H](CO)c2ccccc2I)n1 ZINC000934827500 664925289 /nfs/dbraw/zinc/92/52/89/664925289.db2.gz XEJNPTIOGXUPTO-INIZCTEOSA-N 1 0 382.245 2.860 20 0 GFADRO Cc1cccc(CC[NH2+][C@H](CO)c2ccccc2I)n1 ZINC000934827501 664925382 /nfs/dbraw/zinc/92/53/82/664925382.db2.gz XEJNPTIOGXUPTO-MRXNPFEDSA-N 1 0 382.245 2.860 20 0 GFADRO C[NH+]1CCC([C@@H]2CCN(C(=O)c3ccc4c(Br)cnn4c3)C2)CC1 ZINC000935085336 664938984 /nfs/dbraw/zinc/93/89/84/664938984.db2.gz POAJSHRURWDGTG-CQSZACIVSA-N 1 0 391.313 2.901 20 0 GFADRO C[NH+]1CCC(OCC(=O)N[C@H](c2cncc(Br)c2)C2CC2)CC1 ZINC000935881608 664995022 /nfs/dbraw/zinc/99/50/22/664995022.db2.gz VZYXLGFJJXAAPS-KRWDZBQOSA-N 1 0 382.302 2.522 20 0 GFADRO Cc1ccc2[nH]c(C(=O)N3CC[C@H]([N@@H+]4CC[C@H](O)C4)C3)cc2c1Br ZINC000935981855 665002432 /nfs/dbraw/zinc/00/24/32/665002432.db2.gz TVIPEEALRWPULF-STQMWFEESA-N 1 0 392.297 2.520 20 0 GFADRO O=C1NC2(CCCC2)C(=O)N1CC[NH2+][C@H]1CCc2cc(Br)ccc21 ZINC000956998664 665012898 /nfs/dbraw/zinc/01/28/98/665012898.db2.gz YMARAWXWTJBNEI-HNNXBMFYSA-N 1 0 392.297 2.891 20 0 GFADRO O=C([C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)N1CC[C@@H]([NH2+]Cc2csc(Br)c2)C1 ZINC000969407774 665014997 /nfs/dbraw/zinc/01/49/97/665014997.db2.gz VFUUVGQNFWUNQB-ULSDXFBPSA-N 1 0 397.338 2.625 20 0 GFADRO CC1(C)CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C[C@H]1[NH2+]Cc1cnc(Cl)s1 ZINC000996049417 665027872 /nfs/dbraw/zinc/02/78/72/665027872.db2.gz BQITTWIUHHUCGP-DXUDUQDWSA-N 1 0 381.929 2.547 20 0 GFADRO C[NH+](C)C1(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2cscc2Cl)C3)CCC1 ZINC000997468458 665036456 /nfs/dbraw/zinc/03/64/56/665036456.db2.gz YJSCZORIOJQNNA-UGFHNGPFSA-N 1 0 381.929 2.748 20 0 GFADRO C[NH+](C)[C@@H](C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(Cl)s1)C2)C1CC1 ZINC001000586296 665047342 /nfs/dbraw/zinc/04/73/42/665047342.db2.gz PDVKLHMMKXPFCV-LMOYCYGVSA-N 1 0 381.929 2.603 20 0 GFADRO C[C@H]1CC[N@H+](CC(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2sccc2Cl)C3)C1 ZINC001003327606 665059681 /nfs/dbraw/zinc/05/96/81/665059681.db2.gz VMGDRIOLEDJBAA-MXYBEHONSA-N 1 0 381.929 2.605 20 0 GFADRO C[NH+](C)[C@H](C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1sccc1Cl)C2)C1CC1 ZINC001003327568 665059706 /nfs/dbraw/zinc/05/97/06/665059706.db2.gz UQVPJXPIMRZEQO-RZFFKMDDSA-N 1 0 381.929 2.603 20 0 GFADRO C[C@H]1CCC[N@@H+]1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1sccc1Cl ZINC001006281675 665069628 /nfs/dbraw/zinc/06/96/28/665069628.db2.gz UUEGBTAMSLMKNM-MXYBEHONSA-N 1 0 381.929 2.748 20 0 GFADRO Cc1sc(C(=O)NCCC[N@@H+](C)C2CCCCC2)cc1CS(C)(=O)=O ZINC000120633593 677397377 /nfs/dbraw/zinc/39/73/77/677397377.db2.gz QGAHIXSUBURLHA-UHFFFAOYSA-N 1 0 386.583 2.986 20 0 GFADRO Cc1cc(Br)ccc1CNC(=O)N[C@@H](C)CC[NH+]1CCN(C)CC1 ZINC000185698805 677404701 /nfs/dbraw/zinc/40/47/01/677404701.db2.gz VKSMVDQDMIGPKK-HNNXBMFYSA-N 1 0 397.361 2.583 20 0 GFADRO Cc1nc(Cl)ccc1S(=O)(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000385195016 677406970 /nfs/dbraw/zinc/40/69/70/677406970.db2.gz WOTUVBRYJOSCOT-ZBFHGGJFSA-N 1 0 379.913 2.985 20 0 GFADRO [NH3+]C[C@H]1CCCC[C@]12NC(=O)N(Cc1cccc(F)c1Br)C2=O ZINC000390966946 677409086 /nfs/dbraw/zinc/40/90/86/677409086.db2.gz HBJMTDGRLDDWQD-BZNIZROVSA-N 1 0 384.249 2.528 20 0 GFADRO CC[C@H]1C[N@H+](C)CCCN1S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1C ZINC000392542360 677410045 /nfs/dbraw/zinc/41/00/45/677410045.db2.gz LQLSSQPSLFQDRB-LBPRGKRZSA-N 1 0 375.878 2.661 20 0 GFADRO C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+]Cc1nn(C)cc1Br ZINC000393334065 677410524 /nfs/dbraw/zinc/41/05/24/677410524.db2.gz WAFZSWUIKZKKLT-YPMHNXCESA-N 1 0 387.322 2.918 20 0 GFADRO Cn1cc(Br)c(C[NH2+][C@H]2CCC[C@H]2CNC(=O)OC(C)(C)C)n1 ZINC000393338532 677410544 /nfs/dbraw/zinc/41/05/44/677410544.db2.gz PAECNRTVRNCJCI-AAEUAGOBSA-N 1 0 387.322 2.966 20 0 GFADRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NS(=O)(=O)c1ccc(Cl)nc1 ZINC000398146553 677411954 /nfs/dbraw/zinc/41/19/54/677411954.db2.gz LTDHLGGJGBKWEF-PBHICJAKSA-N 1 0 379.913 2.924 20 0 GFADRO C[NH+](C)C1(CNS(=O)(=O)c2c(Cl)nc3sccn32)CCCCC1 ZINC000390401100 677673030 /nfs/dbraw/zinc/67/30/30/677673030.db2.gz KBMIOJPFKFCXMU-UHFFFAOYSA-N 1 0 376.935 2.592 20 0 GFADRO CC[N@H+]1C[C@@H](C)N(CC(=O)N(C)Cc2cc(Br)cs2)[C@@H](C)C1 ZINC000580244746 677673946 /nfs/dbraw/zinc/67/39/46/677673946.db2.gz VDDSFIQUNOOVDS-BETUJISGSA-N 1 0 388.375 2.884 20 0 GFADRO CSC[C@@H](CCO)[NH2+]C[C@H](O)COc1ccc(Cl)cc1Br ZINC000580311761 677674154 /nfs/dbraw/zinc/67/41/54/677674154.db2.gz PYZSYCSLCCAIRG-NEPJUHHUSA-N 1 0 398.750 2.546 20 0 GFADRO FC(F)(c1ccc(-c2cc(Cl)ncn2)cc1)N1CC[C@@H]2[NH2+]CCO[C@@H]2C1 ZINC001164389023 718822443 /nfs/dbraw/zinc/82/24/43/718822443.db2.gz GHTXJLLXFOPJRN-GOEBONIOSA-N 1 0 380.826 2.909 20 0 GFADRO FC(F)(c1ccc2nc(Cl)nc(Cl)c2c1)N1CCN2CC[NH2+]C[C@@H]2C1 ZINC001164398725 718832588 /nfs/dbraw/zinc/83/25/88/718832588.db2.gz KGBCFZLTAVVMFM-LLVKDONJSA-N 1 0 388.249 2.575 20 0 GFADRO Cc1ccc2nc(-c3ccccc3F)nc(N3CCN4CC[NH2+]C[C@H]4C3)c2c1 ZINC001164398419 718835902 /nfs/dbraw/zinc/83/59/02/718835902.db2.gz FRKXMYSOECCCQV-INIZCTEOSA-N 1 0 377.467 2.838 20 0 GFADRO Cc1cccc(-c2cc(C(F)(F)N3CCOCC34C[NH2+]C4)c(Cl)nn2)c1 ZINC001164401227 718860982 /nfs/dbraw/zinc/86/09/82/718860982.db2.gz DECVOUIRLHELQK-UHFFFAOYSA-N 1 0 380.826 2.829 20 0 GFADRO Fc1cccc2c(Cl)nc(C(F)(F)N3CCO[C@@H]4C[NH2+]CC[C@H]4C3)nc12 ZINC001164403415 718862001 /nfs/dbraw/zinc/86/20/01/718862001.db2.gz NPILTECBFDBHRC-GXFFZTMASA-N 1 0 386.805 2.782 20 0 GFADRO CN(C)c1cc(Cl)nc(C(F)(F)N2C[C@H]3[NH2+]Cc4ccccc4[C@H]3C2)n1 ZINC001164422727 718941297 /nfs/dbraw/zinc/94/12/97/718941297.db2.gz BPHHRHPSJBLXRZ-ZIAGYGMSSA-N 1 0 379.842 2.817 20 0 GFADRO CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@@H]2N1C(F)(F)c1cnc(Cl)cc1Cl ZINC001164618824 719012951 /nfs/dbraw/zinc/01/29/51/719012951.db2.gz TWWHUKVPGBISDW-ZHAHWJHGSA-N 1 0 380.222 2.663 20 0 GFADRO CCOC(=O)C1CC[NH+](C2CCN(c3nnc(OC)c4ccccc43)CC2)CC1 ZINC001164618652 719031265 /nfs/dbraw/zinc/03/12/65/719031265.db2.gz XKCDCTYSQDEVII-UHFFFAOYSA-N 1 0 398.507 2.882 20 0 GFADRO CCOC(=O)[C@@]12C[C@@H]1CCN2c1ncnc2c1CCN(Cc1ccccc1)C2 ZINC001164628252 719039964 /nfs/dbraw/zinc/03/99/64/719039964.db2.gz XGBKFXKRUXXDQX-HTAPYJJXSA-N 1 0 378.476 2.567 20 0 GFADRO COC(=O)c1cnc(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)cc1OC ZINC001164629882 719061507 /nfs/dbraw/zinc/06/15/07/719061507.db2.gz ZROADGXMCBNOIU-MJGOQNOKSA-N 1 0 381.476 2.978 20 0 GFADRO CN(C)c1nc(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)nc2nc[nH]c21 ZINC001164625031 719084866 /nfs/dbraw/zinc/08/48/66/719084866.db2.gz MOWQAZYJIMXRHW-IRXDYDNUSA-N 1 0 377.496 2.520 20 0 GFADRO COC(=O)[C@H]1C[NH2+]CCN1C(F)(F)c1cc(-c2cccc(C)c2)nnc1Cl ZINC001164633076 719138203 /nfs/dbraw/zinc/13/82/03/719138203.db2.gz QZGRQIHEIZFECY-OAHLLOKOSA-N 1 0 396.825 2.602 20 0 GFADRO C[N@@H+]1CCO[C@H]2CN(c3nc(-c4cccnc4)nc4sc5c(c43)CCC5)C[C@H]21 ZINC000301671652 719443054 /nfs/dbraw/zinc/44/30/54/719443054.db2.gz QPYPJXTWPHTTPM-CVEARBPZSA-N 1 0 393.516 2.761 20 0 GFADRO CC(C)N(C)Cc1nn(-c2cncc(N3CCCCCC3)n2)c2c1CC[NH2+]C2 ZINC001164679637 719644896 /nfs/dbraw/zinc/64/48/96/719644896.db2.gz JLMLDCPWGLTWSP-UHFFFAOYSA-N 1 0 383.544 2.529 20 0 GFADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1nc(Cl)nc3sc(C)cc31)CC2 ZINC001164686166 719711681 /nfs/dbraw/zinc/71/16/81/719711681.db2.gz XTFKAQBEALCXAJ-UHFFFAOYSA-N 1 0 393.944 2.834 20 0 GFADRO CC(C)N(C)C(=O)c1noc2c1CN(c1ccc(C[N@H+](C)C3CC3)cn1)CC2 ZINC001164694788 719787329 /nfs/dbraw/zinc/78/73/29/719787329.db2.gz GZTZFUGIPDEPTG-UHFFFAOYSA-N 1 0 383.496 2.707 20 0 GFADRO Cc1nc(C[N@H+]2CCCC23CCN(c2nc(C)nc(N(C)C)n2)CC3)cs1 ZINC001164693863 719810438 /nfs/dbraw/zinc/81/04/38/719810438.db2.gz RXAYKTPOHFQLPK-UHFFFAOYSA-N 1 0 387.557 2.646 20 0 GFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(Cl)nc3[nH]ccc31)C2 ZINC001164809748 720067669 /nfs/dbraw/zinc/06/76/69/720067669.db2.gz JVNFAAWWPVDIKI-LIRRHRJNSA-N 1 0 375.904 2.796 20 0 GFADRO CCOC(=O)c1cc(F)cnc1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COC ZINC001164807421 720083408 /nfs/dbraw/zinc/08/34/08/720083408.db2.gz FKORMFUKLZATGV-IERDGZPVSA-N 1 0 391.487 2.582 20 0 GFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cc(Cl)nc3nc[nH]c31)C2 ZINC001164812474 720107954 /nfs/dbraw/zinc/10/79/54/720107954.db2.gz OMXQSCRSMGBSEV-IFXJQAMLSA-N 1 0 375.904 2.796 20 0 GFADRO COCc1ccnc(N2CCC3(C[C@H](COC)[N@@H+](Cc4ccccn4)C3)CC2)n1 ZINC001164717468 720114922 /nfs/dbraw/zinc/11/49/22/720114922.db2.gz PDVFNXIPCXTOQG-HXUWFJFHSA-N 1 0 397.523 2.526 20 0 GFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ncnc3cc(OC)ccc31)C2 ZINC001164814352 720116269 /nfs/dbraw/zinc/11/62/69/720116269.db2.gz RXUNYUHSHMMUKQ-VGOFRKELSA-N 1 0 382.508 2.823 20 0 GFADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1ccc(C(C)(C)C)nn1)CCC2 ZINC001164814472 720238021 /nfs/dbraw/zinc/23/80/21/720238021.db2.gz UKIROIWNABFPPR-UHFFFAOYSA-N 1 0 384.528 2.581 20 0 GFADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2ncnc3ccsc32)CC1 ZINC001164823910 720291072 /nfs/dbraw/zinc/29/10/72/720291072.db2.gz QRHHFZQKJDFOKQ-DLBZAZTESA-N 1 0 385.537 2.603 20 0 GFADRO Cc1nc(C(C)C)cc(N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164819597 720294303 /nfs/dbraw/zinc/29/43/03/720294303.db2.gz DQTXVGXLUJHAPS-UXHICEINSA-N 1 0 385.556 2.820 20 0 GFADRO Cc1ccc(Cl)c(N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164819269 720303555 /nfs/dbraw/zinc/30/35/55/720303555.db2.gz DFKQGQTVBLDFFH-ROUUACIJSA-N 1 0 376.932 2.955 20 0 GFADRO Cc1nc2ccccc2c(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164826710 720304467 /nfs/dbraw/zinc/30/44/67/720304467.db2.gz WHOVKECXXUBHJP-LEWJYISDSA-N 1 0 393.535 2.850 20 0 GFADRO Cc1ccc2ncnc(N3CC[C@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)c2c1 ZINC001164819638 720304996 /nfs/dbraw/zinc/30/49/96/720304996.db2.gz FKIHQAUMXYQPRM-RTWAWAEBSA-N 1 0 393.535 2.850 20 0 GFADRO Cc1nc(Cl)c(N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc1C ZINC001164834367 720319991 /nfs/dbraw/zinc/31/99/91/720319991.db2.gz ZRFPVLGWIPIIST-IAGOWNOFSA-N 1 0 391.947 2.658 20 0 GFADRO COc1ccc(Cl)nc1N1CC[C@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164826231 720323051 /nfs/dbraw/zinc/32/30/51/720323051.db2.gz FULMBWWLRPHNFN-CVEARBPZSA-N 1 0 392.931 2.655 20 0 GFADRO CCc1c(Cl)ncnc1N1CC[C@H]2[C@@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164829934 720343020 /nfs/dbraw/zinc/34/30/20/720343020.db2.gz UKHZQGVDIALEDJ-IRXDYDNUSA-N 1 0 391.947 2.604 20 0 GFADRO CSCc1ccc(N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc1 ZINC001164821481 720346219 /nfs/dbraw/zinc/34/62/19/720346219.db2.gz AMESCJFEWFCLME-MOPGFXCFSA-N 1 0 388.581 2.856 20 0 GFADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2cc(C3CCC3)ncn2)CC1 ZINC001164828281 720347909 /nfs/dbraw/zinc/34/79/09/720347909.db2.gz OAIPIDPMGWYJAW-UXHICEINSA-N 1 0 383.540 2.656 20 0 GFADRO Cc1nc(CN2CCN(C)C3(CCN(c4cc(C)cc(C)[nH+]4)CC3)C2=O)cs1 ZINC001164825580 720358756 /nfs/dbraw/zinc/35/87/56/720358756.db2.gz RIMIAJSCSVKLKJ-UHFFFAOYSA-N 1 0 399.564 2.777 20 0 GFADRO CCOC(=O)c1cc2ccnc(N3CC[C@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)c2[nH]1 ZINC001164725392 720370512 /nfs/dbraw/zinc/37/05/12/720370512.db2.gz NEIGSMUMSWSMHR-RBUKOAKNSA-N 1 0 391.475 2.988 20 0 GFADRO CC(C)(C)OC(=O)c1ccnc(N2CC[C@@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)n1 ZINC001164724246 720398090 /nfs/dbraw/zinc/39/80/90/720398090.db2.gz IOAXOBGSULRQKK-MSOLQXFVSA-N 1 0 381.480 2.680 20 0 GFADRO CCOC(=O)c1cc2ccc(N3CC[C@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)[nH]c-2n1 ZINC001164730878 720410788 /nfs/dbraw/zinc/41/07/88/720410788.db2.gz JHJRDLHCVCNUAB-OALUTQOASA-N 1 0 391.475 2.988 20 0 GFADRO CC(C)(C)NC(=O)c1ccnc(N2CC[C@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)c1 ZINC001164725652 720414445 /nfs/dbraw/zinc/41/44/45/720414445.db2.gz AIBOSWGFBBJSJN-RBUKOAKNSA-N 1 0 379.508 2.858 20 0 GFADRO COC(=O)C[C@H](c1ccnc(N2Cc3nccn3C[C@@H](C[NH+](C)C)C2)c1)C1CC1 ZINC001164734539 720522621 /nfs/dbraw/zinc/52/26/21/720522621.db2.gz PZUWCUFDVMRIKC-APWZRJJASA-N 1 0 397.523 2.533 20 0 GFADRO C[NH+](C)C[C@H]1Cn2ccnc2CN(c2nc(Cl)nc3c(Cl)nccc32)C1 ZINC001164731850 720522995 /nfs/dbraw/zinc/52/29/95/720522995.db2.gz BBTYUEPBVIRPPR-NSHDSACASA-N 1 0 392.294 2.726 20 0 GFADRO C[NH+](C)C[C@H]1Cn2ccnc2CN(c2ncnc3[nH]c4cc(F)ccc4c32)C1 ZINC001164734484 720534526 /nfs/dbraw/zinc/53/45/26/720534526.db2.gz JAMXPYODSHWZEI-ZDUSSCGKSA-N 1 0 379.443 2.645 20 0 GFADRO CC(=O)Nc1cccc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)n1 ZINC001164835022 720543552 /nfs/dbraw/zinc/54/35/52/720543552.db2.gz GSYZWZYVZDXUGV-IPMKNSEASA-N 1 0 382.512 2.614 20 0 GFADRO Clc1ccc2c(ncnc2N2CCc3ncc(C[NH+]4CCCC4)n3CC2)n1 ZINC001164733436 720554122 /nfs/dbraw/zinc/55/41/22/720554122.db2.gz NDDMMZHLGKAYNY-UHFFFAOYSA-N 1 0 383.887 2.533 20 0 GFADRO c1nc2n(c1C[NH+]1CCCC1)CCN(c1ncnc3[nH]c4ccccc4c31)CC2 ZINC001164728017 720567830 /nfs/dbraw/zinc/56/78/30/720567830.db2.gz HIIRPVTYUQMMGM-UHFFFAOYSA-N 1 0 387.491 2.966 20 0 GFADRO Cc1sc2nc(C)nc(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)c2c1C ZINC001164739340 720692133 /nfs/dbraw/zinc/69/21/33/720692133.db2.gz NCSWXSYCCBVRTB-JKSUJKDBSA-N 1 0 396.520 2.748 20 0 GFADRO FC(F)(c1nccc(Cl)n1)N1CCCn2cnc(C[NH2+]C3CCC3)c2C1 ZINC001164837485 720736049 /nfs/dbraw/zinc/73/60/49/720736049.db2.gz LNINJBANKVIBFT-UHFFFAOYSA-N 1 0 382.846 2.924 20 0 GFADRO Cc1cccc(-c2ccc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)nn2)c1 ZINC001164737808 720765991 /nfs/dbraw/zinc/76/59/91/720765991.db2.gz CYGJNUVQHFPYDU-MOPGFXCFSA-N 1 0 388.475 2.584 20 0 GFADRO c1ncn(C[C@H]2C[C@@H]3CN(c4nccc5ncccc54)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164749916 720814854 /nfs/dbraw/zinc/81/48/54/720814854.db2.gz UUCFNERPOWRGLC-DBXWQHBBSA-N 1 0 389.507 2.601 20 0 GFADRO CCCc1cc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc(C)n1 ZINC001164741165 720838329 /nfs/dbraw/zinc/83/83/29/720838329.db2.gz DMEZBIJFEBPWPF-SESVDKBCSA-N 1 0 395.555 2.708 20 0 GFADRO c1ncn(C[C@@H]2C[C@H]3CN(c4nccc5ncsc54)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164745945 720841293 /nfs/dbraw/zinc/84/12/93/720841293.db2.gz OINMMVCRDKNGAF-XYJFISCASA-N 1 0 395.536 2.662 20 0 GFADRO COCC[N@@H+]1CCO[C@H]2CN(c3cc(F)cc4ncnc(Cl)c43)CC[C@@H]2C1 ZINC001164859635 720869791 /nfs/dbraw/zinc/86/97/91/720869791.db2.gz UWEAADFNROAYJH-DYVFJYSZSA-N 1 0 394.878 2.596 20 0 GFADRO COCC[N@@H+]1CCO[C@@H]2CN(c3nnc(Cl)c4ccc(F)cc43)CC[C@@H]2C1 ZINC001164865250 720884342 /nfs/dbraw/zinc/88/43/42/720884342.db2.gz ZDWAMEKQHVYLCZ-CXAGYDPISA-N 1 0 394.878 2.596 20 0 GFADRO Fc1ccc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nn1 ZINC001164757135 720892756 /nfs/dbraw/zinc/89/27/56/720892756.db2.gz SWMGUFHKUSUFPM-DENIHFKCSA-N 1 0 397.498 2.766 20 0 GFADRO CCOC(=O)Cc1ccc(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@H]2C)nc1 ZINC001164859221 720962612 /nfs/dbraw/zinc/96/26/12/720962612.db2.gz LKNPNBLRDGLKKW-MRXNPFEDSA-N 1 0 385.512 2.805 20 0 GFADRO COC(=O)c1cc2c[nH]c(N3CCn4c(C[N@H+](C)C(C)C)cnc4[C@H]3C)cc-2n1 ZINC001164858871 720990565 /nfs/dbraw/zinc/99/05/65/720990565.db2.gz IRZXEMCBFIIQDL-CQSZACIVSA-N 1 0 396.495 2.967 20 0 GFADRO Clc1nc2c(c(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)n1)CCCC2 ZINC001164871449 721062845 /nfs/dbraw/zinc/06/28/45/721062845.db2.gz YXBLTQYGMHVDIP-IAGOWNOFSA-N 1 0 399.926 2.884 20 0 GFADRO Clc1nc2cccnc2c(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164866108 721065331 /nfs/dbraw/zinc/06/53/31/721065331.db2.gz CUJYRGIWYGOTSW-JKSUJKDBSA-N 1 0 396.882 2.553 20 0 GFADRO CSc1nc(Cl)ncc1N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164865690 721087592 /nfs/dbraw/zinc/08/75/92/721087592.db2.gz OKIJEJWIROJSSV-CABCVRRESA-N 1 0 391.928 2.727 20 0 GFADRO COc1ccc2ncc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)nc2c1 ZINC001164866932 721090751 /nfs/dbraw/zinc/09/07/51/721090751.db2.gz VGSUJDDCLJJCHZ-MJGOQNOKSA-N 1 0 391.475 2.513 20 0 GFADRO COc1ccc2nc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)ncc2c1 ZINC001164865332 721096421 /nfs/dbraw/zinc/09/64/21/721096421.db2.gz KBYBCRODBONMDY-QUCCMNQESA-N 1 0 391.475 2.513 20 0 GFADRO CCc1cc2c(ncnc2N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)s1 ZINC001164763378 721125932 /nfs/dbraw/zinc/12/59/32/721125932.db2.gz FIMHJDSKPGOHGK-JKSUJKDBSA-N 1 0 382.537 2.946 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4nncc5cc(Cl)ccc54)C[C@@H]3C2)cn1 ZINC001164773620 721141567 /nfs/dbraw/zinc/14/15/67/721141567.db2.gz YNEHUUOUQXAERN-RDJZCZTQSA-N 1 0 382.899 2.975 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4ccc(-c5cccs5)nn4)C[C@H]3C2)cn1 ZINC001164772306 721159939 /nfs/dbraw/zinc/15/99/39/721159939.db2.gz VNFHMSBJXWATJL-DLBZAZTESA-N 1 0 380.521 2.897 20 0 GFADRO CC(C)Sc1ccc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)nn1 ZINC001164876989 721164923 /nfs/dbraw/zinc/16/49/23/721164923.db2.gz NMDNHXPJEPLQGT-MSOLQXFVSA-N 1 0 385.537 2.852 20 0 GFADRO Cc1cc2ncnc(N3C[C@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@@H]4C3)c2cc1C ZINC001164767867 721232849 /nfs/dbraw/zinc/23/28/49/721232849.db2.gz WQGKWHLBKQWBLX-RTBURBONSA-N 1 0 376.508 2.938 20 0 GFADRO COC(=O)c1ccc(C(F)(F)N2CC3(C2)CC[N@H+](CC2CC2)C3)c(Cl)n1 ZINC001164773135 721287515 /nfs/dbraw/zinc/28/75/15/721287515.db2.gz NQKZJTVNVYEWHN-UHFFFAOYSA-N 1 0 385.842 2.989 20 0 GFADRO FC(F)[C@@](F)(COc1cncc(Cl)n1)N1CC2(C1)CC[N@H+](CC1CC1)C2 ZINC001164769834 721300059 /nfs/dbraw/zinc/30/00/59/721300059.db2.gz OGLVHKZWYGQRSK-QGZVFWFLSA-N 1 0 390.837 2.857 20 0 GFADRO COC(=O)c1nc(N2CC3(C2)CC[N@H+](CC2CC2)C3)c2ccccc2c1OC ZINC001164775573 721301000 /nfs/dbraw/zinc/30/10/00/721301000.db2.gz ZZRJOSLZONYLMD-UHFFFAOYSA-N 1 0 381.476 2.952 20 0 GFADRO Cc1cccc2ncc(N3CC[C@]4(C3)CCC[C@@H](C[NH+]3CCN(C)CC3)O4)nc12 ZINC001164884113 721404844 /nfs/dbraw/zinc/40/48/44/721404844.db2.gz DDPLCXGWVMFVPI-CVDCTZTESA-N 1 0 395.551 2.704 20 0 GFADRO CSCc1ccc(N2CC[C@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)nc1 ZINC001164894269 721442128 /nfs/dbraw/zinc/44/21/28/721442128.db2.gz LHJFIESVORNZCK-CTNGQTDRSA-N 1 0 390.597 2.710 20 0 GFADRO Cn1cnc2c1[C@H](COCc1cccnc1)N(c1cc(C[NH+](C)C)ccn1)CC2 ZINC001164781965 721442161 /nfs/dbraw/zinc/44/21/61/721442161.db2.gz HTIVSOBRSBTNMK-FQEVSTJZSA-N 1 0 392.507 2.592 20 0 GFADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3O[C@H](C(=O)NCC4CC4)C[C@H]32)nc1 ZINC001164893274 721459402 /nfs/dbraw/zinc/45/94/02/721459402.db2.gz YXXSVRRXJXTHDH-CGXNFDGLSA-N 1 0 398.551 2.891 20 0 GFADRO C[N@H+](Cc1ccc(N2C[C@@H]3COC[C@@]3(COc3ncccc3F)C2)nc1)C1CC1 ZINC001164792733 721488002 /nfs/dbraw/zinc/48/80/02/721488002.db2.gz LELJJRHQSKWRNB-VGOFRKELSA-N 1 0 398.482 2.742 20 0 GFADRO Cc1ccc2nc(N3CCn4cc(CN5CC[NH+](C)CC5)nc4C3)ccc2c1 ZINC001164795574 721508224 /nfs/dbraw/zinc/50/82/24/721508224.db2.gz LNXWABKZMOEBLW-UHFFFAOYSA-N 1 0 376.508 2.507 20 0 GFADRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2ccc4cc(Cl)ccc4n2)CC3)CC1 ZINC001164796669 721509639 /nfs/dbraw/zinc/50/96/39/721509639.db2.gz VQHGYJGUONCDTK-UHFFFAOYSA-N 1 0 396.926 2.852 20 0 GFADRO COC(=O)c1c(C)cc(C)nc1N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164912323 721532448 /nfs/dbraw/zinc/53/24/48/721532448.db2.gz YVWHAJLIZSYAFC-PKOBYXMFSA-N 1 0 399.466 2.966 20 0 GFADRO COc1cc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)ncn1 ZINC001164902238 721583669 /nfs/dbraw/zinc/58/36/69/721583669.db2.gz DMGNVBRIBSKXEI-GOSISDBHSA-N 1 0 375.423 2.618 20 0 GFADRO Cc1nc2ccc(F)cc2c(N2CCCC23CC[NH+](CC(=O)N(C)C)CC3)n1 ZINC001165011155 721733766 /nfs/dbraw/zinc/73/37/66/721733766.db2.gz NQAHPGSCFHWQKK-UHFFFAOYSA-N 1 0 385.487 2.600 20 0 GFADRO CC(C)n1ccc2c1ncnc2N1CCCC12CC[NH+](CC(=O)N(C)C)CC2 ZINC001165011024 721743249 /nfs/dbraw/zinc/74/32/49/721743249.db2.gz SJLZLLOOFQCOSI-UHFFFAOYSA-N 1 0 384.528 2.535 20 0 GFADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc(Cl)ncc3C(N)=O)C[C@H]21 ZINC001165018678 721802466 /nfs/dbraw/zinc/80/24/66/721802466.db2.gz BVSBODJPDFWORQ-ZTFGCOKTSA-N 1 0 399.926 2.966 20 0 GFADRO COc1nc(Cl)nc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)n1 ZINC001165023932 721806604 /nfs/dbraw/zinc/80/66/04/721806604.db2.gz KBHKUHNWMRICSA-NUEKZKHPSA-N 1 0 388.903 2.666 20 0 GFADRO CCOC(=O)c1nccnc1N1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165025969 721812002 /nfs/dbraw/zinc/81/20/02/721812002.db2.gz ONYQQZWIUXJPGJ-UHOSZYNNSA-N 1 0 395.507 2.785 20 0 GFADRO Cc1ccc(C(N)=O)c(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)n1 ZINC001165024711 721822688 /nfs/dbraw/zinc/82/26/88/721822688.db2.gz KZGCVYTZFLLWGI-DBVUQKKJSA-N 1 0 379.508 2.621 20 0 GFADRO COCCOc1ccc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)nn1 ZINC001165027871 721825112 /nfs/dbraw/zinc/82/51/12/721825112.db2.gz UORZHMHFISZRPD-YSIASYRMSA-N 1 0 397.523 2.634 20 0 GFADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc(NC(N)=S)cn3)C[C@H]21 ZINC001165025288 721828468 /nfs/dbraw/zinc/82/84/68/721828468.db2.gz MPTNVTAIKQNMLP-ATZDWAIDSA-N 1 0 396.564 2.869 20 0 GFADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc(NC(N)=S)cn3)C[C@@H]21 ZINC001165025294 721828516 /nfs/dbraw/zinc/82/85/16/721828516.db2.gz MPTNVTAIKQNMLP-ZYSHUDEJSA-N 1 0 396.564 2.869 20 0 GFADRO CCC[C@H](C)NS(=O)(=O)c1ccc(N2CC[NH+](C3CCCC3)CC2)nc1 ZINC000108930957 721860654 /nfs/dbraw/zinc/86/06/54/721860654.db2.gz LEHPQOVLUSDUMJ-INIZCTEOSA-N 1 0 380.558 2.613 20 0 GFADRO CN(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2c1ncnc2c1ccn2Cc1ccccc1 ZINC001164923099 721867120 /nfs/dbraw/zinc/86/71/20/721867120.db2.gz ICRIJXWQHNJRQJ-LEWJYISDSA-N 1 0 390.535 2.694 20 0 GFADRO Cc1cc(OCc2ccccc2)nc(N2CC[C@H]3[C@H]2CCN3CC[NH+](C)C)n1 ZINC001164934839 721886309 /nfs/dbraw/zinc/88/63/09/721886309.db2.gz UVVCYIWELLTQDS-VQTJNVASSA-N 1 0 381.524 2.579 20 0 GFADRO O=C(C[C@@H]1OC[C@H]2CN(c3ccc(C[NH+]4CCCC4)cn3)CC[C@H]21)NC1CCC1 ZINC001164936056 721897151 /nfs/dbraw/zinc/89/71/51/721897151.db2.gz XPZBMULELLKRMA-NRSPTQNISA-N 1 0 398.551 2.578 20 0 GFADRO CCOc1cc2ncnc(N3CC[NH+](C[C@H]4CCCO4)CC3)c2cc1OCC ZINC001165037407 721910087 /nfs/dbraw/zinc/91/00/87/721910087.db2.gz GKVSDHKKVMHQAI-MRXNPFEDSA-N 1 0 386.496 2.728 20 0 GFADRO COC[C@@]12COC[C@@H]1CN(c1ccc3c(n1)CC[N@@H+](Cc1ccccc1)C3)C2 ZINC001164951734 721992577 /nfs/dbraw/zinc/99/25/77/721992577.db2.gz NEMAUVBOEMAENL-REWPJTCUSA-N 1 0 379.504 2.739 20 0 GFADRO CCOC(=O)c1cc2cccnc2nc1N1CC[NH+](CCc2ccccn2)CC1 ZINC001165056577 722012361 /nfs/dbraw/zinc/01/23/61/722012361.db2.gz XAXLDYXDTBDWFS-UHFFFAOYSA-N 1 0 391.475 2.566 20 0 GFADRO C[C@H]1CC(=O)Nc2ncnc(N3CCC4(CC[N@H+](Cc5cccnc5)C4)CC3)c21 ZINC001164951643 722018172 /nfs/dbraw/zinc/01/81/72/722018172.db2.gz BPKMDVARXQKYBI-INIZCTEOSA-N 1 0 392.507 2.810 20 0 GFADRO Cc1nc(Cl)nc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c1C ZINC001164982858 722099318 /nfs/dbraw/zinc/09/93/18/722099318.db2.gz PNFMGMAWKJMHLB-ROUUACIJSA-N 1 0 387.915 2.869 20 0 GFADRO c1cncc(C[N@@H+]2CCO[C@H]3CN(c4cc(C5CCC5)ncn4)CC[C@H]3C2)c1 ZINC001164980912 722150437 /nfs/dbraw/zinc/15/04/37/722150437.db2.gz NTKUJVLSABBTFX-FPOVZHCZSA-N 1 0 379.508 2.866 20 0 GFADRO CCc1cc(Cl)nc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164977214 722153069 /nfs/dbraw/zinc/15/30/69/722153069.db2.gz YGAIECARADJZDZ-AEFFLSMTSA-N 1 0 387.915 2.815 20 0 GFADRO C[NH+](C)CCOCc1ncn2c1CN(c1cccc(OC(C)(C)C)n1)CCC2 ZINC001165001925 722254388 /nfs/dbraw/zinc/25/43/88/722254388.db2.gz JKMMBVCXIPMJOZ-UHFFFAOYSA-N 1 0 387.528 2.944 20 0 GFADRO C[NH+](C)CCOCc1ncn2c1CN(c1cnc(-c3ccccc3)cn1)CCC2 ZINC001165004387 722256245 /nfs/dbraw/zinc/25/62/45/722256245.db2.gz QUCOJBFSHVZZCG-UHFFFAOYSA-N 1 0 392.507 2.829 20 0 GFADRO Cc1nccc(NC(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)c1Br ZINC000521602214 532516289 /nfs/dbraw/zinc/51/62/89/532516289.db2.gz RMMOWRNGIAGDDI-UHFFFAOYSA-N 1 0 393.289 2.682 20 0 GFADRO COCC[C@@H](NC(=O)N(C)C1CC[NH+](C2CCOCC2)CC1)c1ccc(C)o1 ZINC000359999030 212132398 /nfs/dbraw/zinc/13/23/98/212132398.db2.gz NFQCPXHEHOKNKN-LJQANCHMSA-N 1 0 393.528 2.950 20 0 GFADRO Cc1csc(N2CCC(C(=O)NCC[N@@H+]3CCc4ccccc4C3)CC2)n1 ZINC000359959912 212126932 /nfs/dbraw/zinc/12/69/32/212126932.db2.gz YBHBSQRQSPPRJH-UHFFFAOYSA-N 1 0 384.549 2.842 20 0 GFADRO CCC[NH+]1CCC(N2CCN(C(=O)c3ccc(-n4cc(C)cn4)cc3)CC2)CC1 ZINC000359938097 212125760 /nfs/dbraw/zinc/12/57/60/212125760.db2.gz SAPOTOBVSPCJEG-UHFFFAOYSA-N 1 0 395.551 2.813 20 0 GFADRO CSc1cc2c(cc1C[NH2+][C@@H]1CCN(c3ccccc3C(N)=O)C1)OCCO2 ZINC000359879839 212122347 /nfs/dbraw/zinc/12/23/47/212122347.db2.gz ZGQBKVFYZQSDCW-OAHLLOKOSA-N 1 0 399.516 2.647 20 0 GFADRO CC[NH+](CC)[C@@H](CNC(=O)CNC(=O)c1cc(F)cc(F)c1)c1ccsc1 ZINC000057170717 222030621 /nfs/dbraw/zinc/03/06/21/222030621.db2.gz LSOMZYJMPDQUKQ-KRWDZBQOSA-N 1 0 395.475 2.955 20 0 GFADRO CC[NH+](CC)CCOc1ccccc1CNC(=O)Cc1cn2ccsc2n1 ZINC000071958850 222200830 /nfs/dbraw/zinc/20/08/30/222200830.db2.gz GVRJUUSQGBHQMQ-UHFFFAOYSA-N 1 0 386.521 2.975 20 0 GFADRO COCCN1C(=O)C[C@@H](C[NH2+]Cc2cc3ccccc3o2)[C@@H]1c1cnn(C)c1C ZINC000275387502 523798994 /nfs/dbraw/zinc/79/89/94/523798994.db2.gz ZDURMWUTAACGMV-HTAPYJJXSA-N 1 0 396.491 2.801 20 0 GFADRO COc1c(Br)cc(Br)cc1C[NH2+]C[C@H](O)C(F)F ZINC000226576034 553061815 /nfs/dbraw/zinc/06/18/15/553061815.db2.gz QLAIPCGDWJIGGU-VIFPVBQESA-N 1 0 389.034 2.936 20 0 GFADRO Cc1cc(C[NH2+][C@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)sc1Br ZINC000408119783 563545204 /nfs/dbraw/zinc/54/52/04/563545204.db2.gz OVWPIXRLSUMROW-FZMZJTMJSA-N 1 0 394.356 2.645 20 0 GFADRO COCC[N@@H+]1CC[C@@H](NC(=O)CCc2cc(Cl)ccc2Br)C1 ZINC000430689654 563547398 /nfs/dbraw/zinc/54/73/98/563547398.db2.gz FOYGPVOPCPHIIG-CQSZACIVSA-N 1 0 389.721 2.872 20 0 GFADRO C[N@H+](CCNS(=O)(=O)c1ccc(F)c(Br)c1)C1CCCC1 ZINC000439232518 563719699 /nfs/dbraw/zinc/71/96/99/563719699.db2.gz DGUFVYWVVDWMBG-UHFFFAOYSA-N 1 0 379.295 2.741 20 0 GFADRO Cc1cc(Br)cc(C)c1S(=O)(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000440350546 563739640 /nfs/dbraw/zinc/73/96/40/563739640.db2.gz PNRLESQSWAZOBM-QWHCGFSZSA-N 1 0 375.332 2.732 20 0 GFADRO CC(C)[NH+]1CCC(NC(=O)CCNC(=O)c2ccc(Br)cc2)CC1 ZINC000014939364 551110732 /nfs/dbraw/zinc/11/07/32/551110732.db2.gz JJZAZZQAWWGCFB-UHFFFAOYSA-N 1 0 396.329 2.558 20 0 GFADRO CC[NH+]1CCC(N(C)S(=O)(=O)c2ccc(OC)c(Br)c2)CC1 ZINC000029455315 551126538 /nfs/dbraw/zinc/12/65/38/551126538.db2.gz FWELKRYPHRCHNY-UHFFFAOYSA-N 1 0 391.331 2.563 20 0 GFADRO Cc1cc(NC(=O)C(=O)NC[C@@H](CC(C)C)[NH+](C)C)ccc1Br ZINC000041321713 551135104 /nfs/dbraw/zinc/13/51/04/551135104.db2.gz PDJPOIDVTXDBAT-CQSZACIVSA-N 1 0 384.318 2.789 20 0 GFADRO CCOc1c(Br)cc(C(=O)NC[C@H](C2CC2)[NH+](C)C)cc1OC ZINC000047921627 551154728 /nfs/dbraw/zinc/15/47/28/551154728.db2.gz SDFHTLKDPZJJCU-CQSZACIVSA-N 1 0 385.302 2.926 20 0 GFADRO C[C@H]1C[NH+](CCCNC(=O)NCc2csc(Br)c2)C[C@H](C)O1 ZINC000048458174 551156215 /nfs/dbraw/zinc/15/62/15/551156215.db2.gz BPDZWADQGLJGNC-RYUDHWBXSA-N 1 0 390.347 2.809 20 0 GFADRO C[C@@H]1C[NH+](CCCNC(=O)NCc2ccc(Br)s2)C[C@@H](C)O1 ZINC000048458123 551156396 /nfs/dbraw/zinc/15/63/96/551156396.db2.gz FCGCHWONJGKCLO-VXGBXAGGSA-N 1 0 390.347 2.809 20 0 GFADRO CC[NH+](CC)CCNC(=O)[C@@H](CCSC)NC(=O)c1ccccc1Cl ZINC000050081153 551160157 /nfs/dbraw/zinc/16/01/57/551160157.db2.gz HVPDPWKVNOLYGF-MRXNPFEDSA-N 1 0 385.961 2.650 20 0 GFADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2cc3sc(N(C)C)nc3s2)C1 ZINC000053761898 551167756 /nfs/dbraw/zinc/16/77/56/551167756.db2.gz HMXIQUQYWFPGTG-LBPRGKRZSA-N 1 0 382.555 2.510 20 0 GFADRO CCC[N@@H+]1CC[C@@H](CNC(=O)NCc2cc(OC)ccc2Br)C1 ZINC000054511088 551169445 /nfs/dbraw/zinc/16/94/45/551169445.db2.gz GZHWNFCBILRSOJ-ZDUSSCGKSA-N 1 0 384.318 2.989 20 0 GFADRO CCC(=O)N[C@@H](CCSC)C(=O)NC[C@@H](c1ccsc1)[NH+](CC)CC ZINC000054776405 551170320 /nfs/dbraw/zinc/17/03/20/551170320.db2.gz GQRRTVJSDVQPOD-HOTGVXAUSA-N 1 0 385.599 2.895 20 0 GFADRO O=S(=O)(c1cc(Br)sc1Cl)N1CCC2(C1)CC[NH2+]CC2 ZINC000440851610 563752494 /nfs/dbraw/zinc/75/24/94/563752494.db2.gz VWRBERRSIYKXSU-UHFFFAOYSA-N 1 0 399.763 2.928 20 0 GFADRO CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CC(=O)N(c3cc(Cl)cc(Cl)c3)C2)C1 ZINC000056983662 551178748 /nfs/dbraw/zinc/17/87/48/551178748.db2.gz HTINBRYZOXABHB-CHWSQXEVSA-N 1 0 384.307 2.804 20 0 GFADRO C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)NCCOCC(F)(F)F ZINC000068580796 551192587 /nfs/dbraw/zinc/19/25/87/551192587.db2.gz KOADATMKNMFIEF-UHFFFAOYSA-N 1 0 381.826 2.992 20 0 GFADRO C[C@@H](C(=O)NCCNC(=O)c1ccc(Br)cc1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000101651041 551197532 /nfs/dbraw/zinc/19/75/32/551197532.db2.gz ZOKWNPFUVYRMKW-MJBXVCDLSA-N 1 0 396.329 2.556 20 0 GFADRO CC[C@H](C)[N@H+](C)CCNC(=O)[C@@H]1CSCN1C(=O)c1ccc(Cl)cc1 ZINC000104389320 551198647 /nfs/dbraw/zinc/19/86/47/551198647.db2.gz PGWGRCCEZJEPQB-BBRMVZONSA-N 1 0 383.945 2.702 20 0 GFADRO CC[N@@H+]1CCCN(Cc2csc(-c3ccc(S(C)(=O)=O)cc3)n2)CC1 ZINC000104953874 551198887 /nfs/dbraw/zinc/19/88/87/551198887.db2.gz MHHXRANOOWOOLV-UHFFFAOYSA-N 1 0 379.551 2.741 20 0 GFADRO CC[N@H+](CCN1C(=O)CNC1=O)[C@@H]1CCSc2ccc(Br)cc21 ZINC000104960229 551199134 /nfs/dbraw/zinc/19/91/34/551199134.db2.gz VPHWPEOUJSANGG-CYBMUJFWSA-N 1 0 398.326 2.860 20 0 GFADRO CCC[N@@H+]1CCC[C@H]1C(=O)Nc1ncn(Cc2cccc(Br)c2)n1 ZINC000107040798 551201312 /nfs/dbraw/zinc/20/13/12/551201312.db2.gz YDNYZDLOHAIQQY-HNNXBMFYSA-N 1 0 392.301 2.902 20 0 GFADRO C[NH+](C)CCN(CC(=O)OC(C)(C)C)C(=O)c1cccc(Br)c1 ZINC000110060392 551201915 /nfs/dbraw/zinc/20/19/15/551201915.db2.gz KPYWYDLUTORDJT-UHFFFAOYSA-N 1 0 385.302 2.795 20 0 GFADRO C[NH+]1CCC(CCNS(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)CC1 ZINC000120957986 551223667 /nfs/dbraw/zinc/22/36/67/551223667.db2.gz NWZIQIXAVZCDQA-UHFFFAOYSA-N 1 0 382.860 2.952 20 0 GFADRO Cc1cccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)c1Br ZINC000121016593 551225189 /nfs/dbraw/zinc/22/51/89/551225189.db2.gz KJXVLBFEDNBCND-CYBMUJFWSA-N 1 0 394.313 2.829 20 0 GFADRO O=C(NCCCC[NH+]1CCOCC1)c1c(F)cc(Br)cc1F ZINC000121019011 551225324 /nfs/dbraw/zinc/22/53/24/551225324.db2.gz NKFMKZSJNYABMR-UHFFFAOYSA-N 1 0 377.229 2.570 20 0 GFADRO CCCC[N@H+](C[C@H](O)COCc1ccccc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000121055158 551226361 /nfs/dbraw/zinc/22/63/61/551226361.db2.gz GYOSJEWOBOWNJR-SJORKVTESA-N 1 0 389.945 2.507 20 0 GFADRO CC(=O)Nc1ccc(C[NH2+]CCNC(=O)c2ccc(Br)cc2)cc1 ZINC000121146950 551228120 /nfs/dbraw/zinc/22/81/20/551228120.db2.gz DWWYTYLBAZNAQF-UHFFFAOYSA-N 1 0 390.281 2.927 20 0 GFADRO CS(=O)(=O)NCCC[NH2+][C@@H]1CCCc2nc(-c3ccccc3F)sc21 ZINC000121207227 551229654 /nfs/dbraw/zinc/22/96/54/551229654.db2.gz WGPUOILCSYWBEO-CQSZACIVSA-N 1 0 383.514 2.856 20 0 GFADRO COc1ccc(-c2nc(C)c([C@H](C)[NH2+]CCCNS(C)(=O)=O)s2)cc1 ZINC000121250278 551230821 /nfs/dbraw/zinc/23/08/21/551230821.db2.gz XPJNYFFRKBIWDM-LBPRGKRZSA-N 1 0 383.539 2.717 20 0 GFADRO O=C(NCC1CC[NH+](CCO)CC1)Nc1cc(F)c(Br)cc1F ZINC000121387881 551233030 /nfs/dbraw/zinc/23/30/30/551233030.db2.gz CVKQWAASMUYXAT-UHFFFAOYSA-N 1 0 392.244 2.553 20 0 GFADRO COc1ccc(Cl)c(S(=O)(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000121706549 551240438 /nfs/dbraw/zinc/24/04/38/551240438.db2.gz KQLVZUMNDMYNEI-CXAGYDPISA-N 1 0 384.929 2.986 20 0 GFADRO Cc1ccc(NC(=O)C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)c(Br)c1 ZINC000122134310 551295012 /nfs/dbraw/zinc/29/50/12/551295012.db2.gz NCJYVZMXVZWEJV-XJKSGUPXSA-N 1 0 394.313 2.639 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CCCCN1S(=O)(=O)c1cc(Br)ccc1Cl ZINC000123066418 551302501 /nfs/dbraw/zinc/30/25/01/551302501.db2.gz DOAIAZIWRLFNTB-BXKDBHETSA-N 1 0 381.723 2.993 20 0 GFADRO CCC(=O)N1CCC[N@H+](C[C@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000123098278 551302546 /nfs/dbraw/zinc/30/25/46/551302546.db2.gz KQVGMTDMVPCLLY-AWEZNQCLSA-N 1 0 375.296 2.677 20 0 GFADRO Cc1c(Br)cccc1NC(=O)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000123312370 551304869 /nfs/dbraw/zinc/30/48/69/551304869.db2.gz KEDMHNWUKAFCBO-AWEZNQCLSA-N 1 0 394.313 2.640 20 0 GFADRO Cc1cnc(NC(=O)C(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)s1 ZINC000123826752 551308749 /nfs/dbraw/zinc/30/87/49/551308749.db2.gz PUCORUFCPFKILG-JSGCOSHPSA-N 1 0 378.523 2.651 20 0 GFADRO CC(=O)NC[C@@H]1CCC[N@H+](CCC(=O)Nc2cccc(Br)c2)C1 ZINC000124117025 551310846 /nfs/dbraw/zinc/31/08/46/551310846.db2.gz BHCCQBHIUZKTHB-AWEZNQCLSA-N 1 0 382.302 2.626 20 0 GFADRO CC[C@@H](O)CC[NH2+]Cc1cc(I)c(OC)c(OC)c1 ZINC000124213212 551312046 /nfs/dbraw/zinc/31/20/46/551312046.db2.gz DEYYKRIZLHMWOI-LLVKDONJSA-N 1 0 379.238 2.559 20 0 GFADRO O=C(c1csc(I)c1)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000124215717 551312422 /nfs/dbraw/zinc/31/24/22/551312422.db2.gz VXOMPJMZEUHVDQ-JQWIXIFHSA-N 1 0 390.290 2.957 20 0 GFADRO Cc1sc(C(=O)NCCCC[N@H+]2CCC[C@H](C)C2)cc1CS(C)(=O)=O ZINC000124279163 551312873 /nfs/dbraw/zinc/31/28/73/551312873.db2.gz SKHIJUVGMHFFNO-AWEZNQCLSA-N 1 0 386.583 2.843 20 0 GFADRO Brc1ccc2c(c1)C=C(C[NH2+]CCn1cnnc1C1CC1)CO2 ZINC000124318577 551313392 /nfs/dbraw/zinc/31/33/92/551313392.db2.gz QXYMNNYPALTXGM-UHFFFAOYSA-N 1 0 375.270 2.984 20 0 GFADRO [NH3+]C[C@H]1CCCC[C@H]1NS(=O)(=O)c1cc(Br)ccc1Cl ZINC000124581332 551315969 /nfs/dbraw/zinc/31/59/69/551315969.db2.gz WDBOPPOSGZUORC-BXKDBHETSA-N 1 0 381.723 2.898 20 0 GFADRO COc1ccc(C(=O)N2CCC(C[NH+]3CCOCC3)CC2)c(Br)c1 ZINC000124684591 551316787 /nfs/dbraw/zinc/31/67/87/551316787.db2.gz HSMHJWFWCBBSGS-UHFFFAOYSA-N 1 0 397.313 2.642 20 0 GFADRO Cc1ccc(Br)cc1C(=O)NC[C@@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000124824772 551317907 /nfs/dbraw/zinc/31/79/07/551317907.db2.gz DZCITFUQSVVHDH-KRWDZBQOSA-N 1 0 382.346 2.759 20 0 GFADRO CC1CC[NH+](C[C@@H](O)CNC(=O)CCCc2ccccc2Br)CC1 ZINC000125286636 551321564 /nfs/dbraw/zinc/32/15/64/551321564.db2.gz WHUQFEPRTVPMSV-KRWDZBQOSA-N 1 0 397.357 2.981 20 0 GFADRO C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@@H](C(N)=O)c1ccccc1 ZINC000125955507 551324812 /nfs/dbraw/zinc/32/48/12/551324812.db2.gz NVVLDKYHSLMFDJ-YVEFUNNKSA-N 1 0 390.281 2.982 20 0 GFADRO C[C@@H]1C[N@@H+](C2CCN(C(=O)Nc3cncc(Br)c3)CC2)CCO1 ZINC000126530864 551331125 /nfs/dbraw/zinc/33/11/25/551331125.db2.gz WZRHOHPLHKYFES-GFCCVEGCSA-N 1 0 383.290 2.561 20 0 GFADRO CC[NH+](CC)CCCNC(=O)[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000126726475 551331892 /nfs/dbraw/zinc/33/18/92/551331892.db2.gz OQTAEEASWYPXEC-INIZCTEOSA-N 1 0 396.329 2.650 20 0 GFADRO O=C(NC1CC[NH+](CCc2ccncc2)CC1)c1coc(Br)c1 ZINC000126869729 551333569 /nfs/dbraw/zinc/33/35/69/551333569.db2.gz BBBOKKRKAYRJRG-UHFFFAOYSA-N 1 0 378.270 2.874 20 0 GFADRO CC[N@@H+]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2Br)CC1 ZINC000127314603 551340123 /nfs/dbraw/zinc/34/01/23/551340123.db2.gz RJUWLSLTLSVUCM-UHFFFAOYSA-N 1 0 395.750 2.960 20 0 GFADRO CCn1c(SCC(=O)NCC2CC[NH+](C)CC2)nnc1-c1cccs1 ZINC000127514169 551341392 /nfs/dbraw/zinc/34/13/92/551341392.db2.gz RSWROXKLWZSBNW-UHFFFAOYSA-N 1 0 379.555 2.577 20 0 GFADRO C[NH+](C)[C@@H]1CCCN(C(=O)c2cn(-c3ccc(Br)cc3)cn2)C1 ZINC000128962081 551354206 /nfs/dbraw/zinc/35/42/06/551354206.db2.gz KAWNWPBGIOYYNU-OAHLLOKOSA-N 1 0 377.286 2.801 20 0 GFADRO O=C(NCC1([NH+]2CCSCC2)CCCC1)c1ccncc1Br ZINC000130944505 551370450 /nfs/dbraw/zinc/37/04/50/551370450.db2.gz RIVDOBIMPJDFCV-UHFFFAOYSA-N 1 0 384.343 2.936 20 0 GFADRO CN(C[C@H]1CC[N@H+](C)C1)C(=O)c1ccc(S(=O)(=O)c2ccccc2)s1 ZINC000131006760 551370656 /nfs/dbraw/zinc/37/06/56/551370656.db2.gz VVYYGLNRNANLGJ-AWEZNQCLSA-N 1 0 378.519 2.605 20 0 GFADRO Cc1nc2[nH]c(SCCCN3CC[NH+](C)CC3)nc2cc1Br ZINC000131080886 551371869 /nfs/dbraw/zinc/37/18/69/551371869.db2.gz OTKYRDURWPVDCU-UHFFFAOYSA-N 1 0 384.347 2.758 20 0 GFADRO O=C(COc1cc(Cl)ccc1Cl)NCCCC[N@H+]1CCC[C@@H]1CO ZINC000131254590 551373266 /nfs/dbraw/zinc/37/32/66/551373266.db2.gz NJJOHEDCAUBOGF-CQSZACIVSA-N 1 0 375.296 2.725 20 0 GFADRO C[NH+](C)CCNC(=O)c1nn(-c2cccc(Br)c2)c2c1CCCC2 ZINC000131532923 551374779 /nfs/dbraw/zinc/37/47/79/551374779.db2.gz NCAKHQOJKQOUSD-UHFFFAOYSA-N 1 0 391.313 2.805 20 0 GFADRO C[NH+](C)CCNC(=O)c1nn(-c2ccc(Br)cc2)c2c1CCCC2 ZINC000131533132 551374792 /nfs/dbraw/zinc/37/47/92/551374792.db2.gz CEEBIYZJMGPMET-UHFFFAOYSA-N 1 0 391.313 2.805 20 0 GFADRO CC[C@]1(C(=O)N[C@@H](C)c2cc3c(cc2Br)OCCO3)CCC[NH2+]1 ZINC000134427159 551385109 /nfs/dbraw/zinc/38/51/09/551385109.db2.gz JHYJMNNVIQZVKE-APPDUMDISA-N 1 0 383.286 2.930 20 0 GFADRO C[C@H]1C[C@@H](N(C)C(=O)c2ccc(Br)cc2-n2cncn2)CC[N@@H+]1C ZINC000135652780 551388210 /nfs/dbraw/zinc/38/82/10/551388210.db2.gz FEIGAMOYYFQQTP-JSGCOSHPSA-N 1 0 392.301 2.585 20 0 GFADRO COCC[NH+]1CCC(NC(=O)C2(c3ccc(Br)cc3)CC2)CC1 ZINC000141490674 551394454 /nfs/dbraw/zinc/39/44/54/551394454.db2.gz OZMOPLIWEPNRPG-UHFFFAOYSA-N 1 0 381.314 2.708 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)C1CCN(C(=O)c2ccc(Cl)s2)CC1 ZINC000144267493 551395964 /nfs/dbraw/zinc/39/59/64/551395964.db2.gz XSFWQNNMZGLTFV-CYBMUJFWSA-N 1 0 381.929 2.607 20 0 GFADRO C[C@@H]1C[NH+](CCCNC(=O)NCCc2ccccc2Br)C[C@@H](C)O1 ZINC000145346476 551396212 /nfs/dbraw/zinc/39/62/12/551396212.db2.gz IETKLCPOMARSJB-HUUCEWRRSA-N 1 0 398.345 2.790 20 0 GFADRO Cc1cc(S(=O)(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)sc1Br ZINC000150007865 551399351 /nfs/dbraw/zinc/39/93/51/551399351.db2.gz OGJABVWJGQPWLS-SNVBAGLBSA-N 1 0 379.345 2.582 20 0 GFADRO C[NH+](C)CCn1cc(NC(=O)[C@@H]2C[C@H]2c2cccc(Br)c2)cn1 ZINC000149911830 551399709 /nfs/dbraw/zinc/39/97/09/551399709.db2.gz REDIHSNTIZKDOZ-JKSUJKDBSA-N 1 0 377.286 2.949 20 0 GFADRO CC[NH2+]CCNC(=O)c1ccccc1Sc1ccc(S(C)(=O)=O)cc1 ZINC000151397480 551412729 /nfs/dbraw/zinc/41/27/29/551412729.db2.gz NDRUFMFSPOSUEW-UHFFFAOYSA-N 1 0 378.519 2.581 20 0 GFADRO CC[N@H+](CC(=O)N1CCN(C(=O)c2c(Cl)cccc2Cl)CC1)C1CC1 ZINC000151633281 551418349 /nfs/dbraw/zinc/41/83/49/551418349.db2.gz DWYTXXFQDBRCAY-UHFFFAOYSA-N 1 0 384.307 2.762 20 0 GFADRO CC[N@H+](CC(=O)NC[C@H]1CCN(c2cccc(Br)c2)C1)C1CC1 ZINC000151709079 551420110 /nfs/dbraw/zinc/42/01/10/551420110.db2.gz YUVNOPSYTWEQNQ-CQSZACIVSA-N 1 0 380.330 2.876 20 0 GFADRO COCCC[N@H+](C)CCNC(=O)c1ccn(-c2ccc(Cl)c(Cl)c2)n1 ZINC000152321936 551430706 /nfs/dbraw/zinc/43/07/06/551430706.db2.gz HWSLAFLXCBYZDC-UHFFFAOYSA-N 1 0 385.295 2.877 20 0 GFADRO COCCC[N@H+](C)CCNC(=O)C1(c2ccc(Br)cc2)CCC1 ZINC000152504900 551434842 /nfs/dbraw/zinc/43/48/42/551434842.db2.gz NTVPVOUPQQBWJX-UHFFFAOYSA-N 1 0 383.330 2.955 20 0 GFADRO [NH3+][C@H]1CCC[C@H](C(=O)N2CCN(C(=O)c3c(Cl)cccc3Cl)CC2)C1 ZINC000152586358 551436101 /nfs/dbraw/zinc/43/61/01/551436101.db2.gz IHFQHXSPJHVOPZ-STQMWFEESA-N 1 0 384.307 2.795 20 0 GFADRO C[N@@H+]1CC[C@H]2[C@H](CCCN2S(=O)(=O)Cc2ccccc2C(F)(F)F)C1 ZINC000152859612 551441392 /nfs/dbraw/zinc/44/13/92/551441392.db2.gz MKWYVLNOTQZWFD-CJNGLKHVSA-N 1 0 376.444 2.951 20 0 GFADRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2S(=O)(=O)c2ccc(F)cc2C(F)(F)F)C1 ZINC000152885214 551441620 /nfs/dbraw/zinc/44/16/20/551441620.db2.gz ZVTJREIUJHTLIF-BXUZGUMPSA-N 1 0 380.407 2.949 20 0 GFADRO CN(CC(=O)Nc1ccc(I)cc1)[C@@H]1CCSC1 ZINC000152995270 551444048 /nfs/dbraw/zinc/44/40/48/551444048.db2.gz FAUNBIUBOLKUJY-GFCCVEGCSA-N 1 0 376.263 2.667 20 0 GFADRO CC[C@@H]([NH2+]C[C@H]1CCCN1S(C)(=O)=O)c1ccc(Br)cc1 ZINC000152997672 551444363 /nfs/dbraw/zinc/44/43/63/551444363.db2.gz QAOZXFPDFHBLIF-HUUCEWRRSA-N 1 0 375.332 2.914 20 0 GFADRO Cc1ccc(Br)c(NC(=O)C(=O)NCC[N@@H+](C)C2CCCC2)c1 ZINC000153151086 551447526 /nfs/dbraw/zinc/44/75/26/551447526.db2.gz IYOILBAMAILLQA-UHFFFAOYSA-N 1 0 382.302 2.687 20 0 GFADRO C[C@@H](CNC(=O)NC[C@](C)(O)c1cccs1)N1CCc2sccc2C1 ZINC000153617932 551457226 /nfs/dbraw/zinc/45/72/26/551457226.db2.gz DGQPNPMUWZYWGJ-UGSOOPFHSA-N 1 0 379.551 2.763 20 0 GFADRO Nc1ncc(Cl)cc1S(=O)(=O)N(CC[NH+]1CCCC1)c1ccccc1 ZINC000154606087 551479146 /nfs/dbraw/zinc/47/91/46/551479146.db2.gz ZWDPJDFRESGRAK-UHFFFAOYSA-N 1 0 380.901 2.608 20 0 GFADRO C[C@@H](CCNC(=O)c1cc(S(C)(=O)=O)cs1)[N@H+](C)Cc1ccccc1 ZINC000154877116 551484669 /nfs/dbraw/zinc/48/46/69/551484669.db2.gz UOEVHZVVKKDFMJ-AWEZNQCLSA-N 1 0 380.535 2.792 20 0 GFADRO C[C@H](Cc1ccc(Br)cc1)C(=O)NCC1([NH+](C)C)CCOCC1 ZINC000155048046 551489679 /nfs/dbraw/zinc/48/96/79/551489679.db2.gz FRDYZFKRYYETSJ-CQSZACIVSA-N 1 0 383.330 2.855 20 0 GFADRO Cn1cc(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)cc(Br)c1=O ZINC000155137054 551492713 /nfs/dbraw/zinc/49/27/13/551492713.db2.gz DHDXCVFLPVKLJA-MRXNPFEDSA-N 1 0 390.281 2.751 20 0 GFADRO Cc1sc(Br)cc1S(=O)(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000155165361 551493494 /nfs/dbraw/zinc/49/34/94/551493494.db2.gz XFPWUTSEAULZKC-NSHDSACASA-N 1 0 381.361 2.781 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1cc(F)ccc1Br ZINC000155340320 551497447 /nfs/dbraw/zinc/49/74/47/551497447.db2.gz BCJNUGKEXMRRFV-LLVKDONJSA-N 1 0 379.295 2.741 20 0 GFADRO O=C(NC1CC[NH+](C2CC2)CC1)c1cc(=O)[nH]c2ccc(Br)cc21 ZINC000155330801 551497576 /nfs/dbraw/zinc/49/75/76/551497576.db2.gz YAEOVCONOLNKJD-UHFFFAOYSA-N 1 0 390.281 2.647 20 0 GFADRO C[N@H+](CC(=O)N[C@H]1CCN(c2ccccc2Br)C1)[C@@H]1CCSC1 ZINC000155370035 551498592 /nfs/dbraw/zinc/49/85/92/551498592.db2.gz YFRMOIHEFZMFCY-UONOGXRCSA-N 1 0 398.370 2.581 20 0 GFADRO C[C@@H]1C[N@@H+](C)C[C@H](C)N1C(=O)Cc1csc(NC(=O)c2cccs2)n1 ZINC000155484444 551500832 /nfs/dbraw/zinc/50/08/32/551500832.db2.gz IMHDUFFWJQKXBD-TXEJJXNPSA-N 1 0 378.523 2.550 20 0 GFADRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)Nc2ccc(Br)cc2)C1 ZINC000155483279 551501028 /nfs/dbraw/zinc/50/10/28/551501028.db2.gz HUZTYEOAIFBAHM-AWEZNQCLSA-N 1 0 396.329 2.872 20 0 GFADRO [NH3+]CCCCNC(=O)Nc1cc(Br)cnc1OCC(F)(F)F ZINC000415180186 563761995 /nfs/dbraw/zinc/76/19/95/563761995.db2.gz WAOJJLYKLPHAOJ-UHFFFAOYSA-N 1 0 385.184 2.646 20 0 GFADRO Cc1cccc(S(=O)(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)c1Br ZINC000156349494 551521009 /nfs/dbraw/zinc/52/10/09/551521009.db2.gz AZWVVZQYDJOLQL-OLZOCXBDSA-N 1 0 375.332 2.861 20 0 GFADRO Cc1cccc(S(=O)(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)c1Br ZINC000156522848 551524124 /nfs/dbraw/zinc/52/41/24/551524124.db2.gz LNVQWEDIZBPVHU-QWHCGFSZSA-N 1 0 375.332 2.909 20 0 GFADRO O=S1(=O)CCCN1CC[NH2+]Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000156544541 551524546 /nfs/dbraw/zinc/52/45/46/551524546.db2.gz RQINRCPFFNWCNY-UHFFFAOYSA-N 1 0 390.349 2.849 20 0 GFADRO C[NH+](C)[C@H]1CCCN(C(=O)C(=O)Nc2ccc(Cl)cc2Br)C1 ZINC000156628387 551526287 /nfs/dbraw/zinc/52/62/87/551526287.db2.gz MAXLTZZMQGJOQK-NSHDSACASA-N 1 0 388.693 2.594 20 0 GFADRO C[C@@H]1CCCN(C(=O)c2ccn(-c3cccc(Br)c3)n2)[C@H]1C[NH3+] ZINC000156977143 551531562 /nfs/dbraw/zinc/53/15/62/551531562.db2.gz ILNRFMVWMULMJT-WBMJQRKESA-N 1 0 377.286 2.834 20 0 GFADRO COc1cc(I)c(Cl)cc1C(=O)NC[C@H]([NH3+])C(C)C ZINC000157181741 551534493 /nfs/dbraw/zinc/53/44/93/551534493.db2.gz GTIXHLNXBLRJPM-NSHDSACASA-N 1 0 396.656 2.666 20 0 GFADRO CN1CCC(CNC(=O)c2ccncc2Br)([NH+]2CCCCC2)CC1 ZINC000157484905 551538439 /nfs/dbraw/zinc/53/84/39/551538439.db2.gz SQSBVZALWYIKPH-UHFFFAOYSA-N 1 0 395.345 2.524 20 0 GFADRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+]C[C@](C)(O)c2ccccc2Cl)cc1 ZINC000157557261 551538956 /nfs/dbraw/zinc/53/89/56/551538956.db2.gz VQIGRFVJJCUBOS-UGSOOPFHSA-N 1 0 382.913 2.806 20 0 GFADRO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)Nc1cccc(Br)c1 ZINC000157610022 551540381 /nfs/dbraw/zinc/54/03/81/551540381.db2.gz CHBLZYGQLMALGK-UHFFFAOYSA-N 1 0 383.334 2.939 20 0 GFADRO COC1CC[NH+](CCNC(=O)Cc2c[nH]c3cccc(Br)c23)CC1 ZINC000157867383 551543705 /nfs/dbraw/zinc/54/37/05/551543705.db2.gz NEUBDOLFBSDVPW-UHFFFAOYSA-N 1 0 394.313 2.700 20 0 GFADRO C[C@@H](CNC(=O)Nc1ccc(F)cc1Br)C[NH+]1CCN(C)CC1 ZINC000157944338 551545131 /nfs/dbraw/zinc/54/51/31/551545131.db2.gz FGQMRQLYSHIYLR-LBPRGKRZSA-N 1 0 387.297 2.593 20 0 GFADRO CN(CC[NH2+]Cc1csc(Br)c1)S(=O)(=O)c1cccs1 ZINC000158351969 551550409 /nfs/dbraw/zinc/55/04/09/551550409.db2.gz OVVTWQCASOYMAU-UHFFFAOYSA-N 1 0 395.369 2.982 20 0 GFADRO [NH3+][C@H]1CCCN(C(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)c(Cl)c3)C2)C1 ZINC000158426791 551551942 /nfs/dbraw/zinc/55/19/42/551551942.db2.gz HVVKTLCCACFKOL-KGLIPLIRSA-N 1 0 384.307 2.795 20 0 GFADRO C[C@]1(CNC(=O)Nc2ccc(F)cc2I)CCC[NH2+]C1 ZINC000415248058 563763611 /nfs/dbraw/zinc/76/36/11/563763611.db2.gz GEADLYIKYLIBMX-AWEZNQCLSA-N 1 0 391.228 2.942 20 0 GFADRO CN(Cc1ccccc1Br)C(=O)CN1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000158728706 551555382 /nfs/dbraw/zinc/55/53/82/551555382.db2.gz FZUAHYGXWUTSNK-WMZOPIPTSA-N 1 0 394.357 2.824 20 0 GFADRO O=C(c1cnccn1)N1CCC([NH2+]Cc2ccc(Br)c(F)c2)CC1 ZINC000158933499 551558893 /nfs/dbraw/zinc/55/88/93/551558893.db2.gz MPADYJMUJVHRRU-UHFFFAOYSA-N 1 0 393.260 2.773 20 0 GFADRO CC[C@@H](C(=O)N1CCC(C(=O)Nc2ccc(Br)cc2)CC1)[NH+](C)C ZINC000159166979 551561912 /nfs/dbraw/zinc/56/19/12/551561912.db2.gz VHOKPEMLJSZTTE-INIZCTEOSA-N 1 0 396.329 2.966 20 0 GFADRO Cc1c(Br)cccc1NC(=O)C(=O)NC[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000159289600 551563180 /nfs/dbraw/zinc/56/31/80/551563180.db2.gz ZWTDTNLBIOKSOW-AWEZNQCLSA-N 1 0 396.329 2.790 20 0 GFADRO CO[C@@]1(C[NH2+]Cc2ncc(Br)cc2Br)CCOC1 ZINC000160101392 551575384 /nfs/dbraw/zinc/57/53/84/551575384.db2.gz AOUOKLFTGDZYOI-GFCCVEGCSA-N 1 0 380.080 2.502 20 0 GFADRO O=S(=O)(NCCCC[N@H+]1CCC[C@H]1CO)c1cc(Cl)sc1Cl ZINC000161715188 551597842 /nfs/dbraw/zinc/59/78/42/551597842.db2.gz HKNBPAXDHVJORO-JTQLQIEISA-N 1 0 387.354 2.570 20 0 GFADRO COC1(C(=O)NCc2cc(Cl)cc(Cl)c2OC(F)F)CC[NH2+]CC1 ZINC000161814242 551599072 /nfs/dbraw/zinc/59/90/72/551599072.db2.gz SWLKQPCBZWTYSH-UHFFFAOYSA-N 1 0 383.222 2.980 20 0 GFADRO NC(=O)[C@H]([NH2+]CCN1CCc2sccc2C1)c1cccc(Br)c1 ZINC000161984051 551601841 /nfs/dbraw/zinc/60/18/41/551601841.db2.gz KKIDNTBLAPFTNZ-MRXNPFEDSA-N 1 0 394.338 2.685 20 0 GFADRO C[C@H]([NH2+]CCNS(=O)(=O)c1cccc(Cl)c1)c1ccc2c(c1)OCO2 ZINC000162096629 551603887 /nfs/dbraw/zinc/60/38/87/551603887.db2.gz ZKYIXSWVERPJOD-LBPRGKRZSA-N 1 0 382.869 2.698 20 0 GFADRO [NH3+][C@H]1CCC[C@H](NC(=O)C2(c3ccc(Br)cc3)CCOCC2)C1 ZINC000162111564 551603894 /nfs/dbraw/zinc/60/38/94/551603894.db2.gz LHBUFKVFYJEFTG-HOTGVXAUSA-N 1 0 381.314 2.883 20 0 GFADRO CCOc1ccc(S(=O)(=O)NC[C@@H]2CCC[N@@H+]2CC)cc1Br ZINC000162161395 551604097 /nfs/dbraw/zinc/60/40/97/551604097.db2.gz GUWURUWMCUMLHF-LBPRGKRZSA-N 1 0 391.331 2.610 20 0 GFADRO NC(=O)[C@@H]([NH2+][C@@H]1CCO[C@]2(CCSC2)C1)c1cccc(Br)c1 ZINC000162286814 551606689 /nfs/dbraw/zinc/60/66/89/551606689.db2.gz MQLRNFIHZCEQGY-IJEWVQPXSA-N 1 0 385.327 2.620 20 0 GFADRO C[NH+](C)Cc1ccc(CN[C@H](C(N)=O)c2cccc(Br)c2)cc1F ZINC000162321372 551606695 /nfs/dbraw/zinc/60/66/95/551606695.db2.gz USFFZGQXMUSJDS-KRWDZBQOSA-N 1 0 394.288 2.966 20 0 GFADRO C[NH+]1CCC(C(=O)NC2CCN(Cc3ccc(Br)cc3)CC2)CC1 ZINC000162668091 551611663 /nfs/dbraw/zinc/61/16/63/551611663.db2.gz IWRIULIDNBULHS-UHFFFAOYSA-N 1 0 394.357 2.872 20 0 GFADRO CC[S@](=O)[C@@H]1CCC[C@H]([NH2+][C@@H](C)c2ccc(S(C)(=O)=O)c(F)c2)C1 ZINC000162913609 551614223 /nfs/dbraw/zinc/61/42/23/551614223.db2.gz IEWSNMARFOIDHW-XJMAFELUSA-N 1 0 375.531 2.960 20 0 GFADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)CCCc1ccccc1Br ZINC000163533062 551620698 /nfs/dbraw/zinc/62/06/98/551620698.db2.gz VDQHJAQVYFILKE-INIZCTEOSA-N 1 0 383.330 2.999 20 0 GFADRO CCn1cc(Br)cc1C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000171291597 551652102 /nfs/dbraw/zinc/65/21/02/551652102.db2.gz LYHFTCHJYKGBRB-UHFFFAOYSA-N 1 0 397.361 2.559 20 0 GFADRO CN(C)c1nc2sc(C(=O)N(CC[NH+](C)C)C[C@@H]3CCCO3)cc2s1 ZINC000171565795 551658119 /nfs/dbraw/zinc/65/81/19/551658119.db2.gz JDSUWRFOGXZWOU-LBPRGKRZSA-N 1 0 382.555 2.607 20 0 GFADRO COCCN(CC[NH+](C)C)C(=O)c1cc2c(cc(Br)cc2F)[nH]1 ZINC000171570202 551658397 /nfs/dbraw/zinc/65/83/97/551658397.db2.gz VDLFYCNFBITTPO-UHFFFAOYSA-N 1 0 386.265 2.720 20 0 GFADRO C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000171925691 551666965 /nfs/dbraw/zinc/66/69/65/551666965.db2.gz FSJYASXOYOZIJB-UWVGGRQHSA-N 1 0 377.794 2.883 20 0 GFADRO CN(C)c1ncc(Br)cc1C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000172013754 551668894 /nfs/dbraw/zinc/66/88/94/551668894.db2.gz UIXKBGOEENCGNN-UHFFFAOYSA-N 1 0 381.318 2.514 20 0 GFADRO Cc1c(C(=O)N2CC[C@H](C[NH+](C)C)C2)cnn1-c1cccc(Br)c1 ZINC000172172787 551672640 /nfs/dbraw/zinc/67/26/40/551672640.db2.gz JVTOXLOFAWARBU-CQSZACIVSA-N 1 0 391.313 2.967 20 0 GFADRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2nc(SC)ncc2Cl)[C@H](C)C1 ZINC000172267319 551674837 /nfs/dbraw/zinc/67/48/37/551674837.db2.gz VIJQVASDELDJIZ-TZMCWYRMSA-N 1 0 386.949 2.719 20 0 GFADRO O=C(NCc1cccc(Br)c1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000172456221 551679552 /nfs/dbraw/zinc/67/95/52/551679552.db2.gz FTCVYJFBUMQNLT-UHFFFAOYSA-N 1 0 396.329 2.703 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc3c(c(Br)c2)OCO3)[C@H](C)C1 ZINC000172611533 551683146 /nfs/dbraw/zinc/68/31/46/551683146.db2.gz QWMFEOGPUCXVGW-BXUZGUMPSA-N 1 0 383.286 2.980 20 0 GFADRO O=C(NCc1cccc(C[NH+]2CCCC2)c1)c1c[nH]c(=O)c(Br)c1 ZINC000173066240 551694403 /nfs/dbraw/zinc/69/44/03/551694403.db2.gz HNIMPYVXKFLJBC-UHFFFAOYSA-N 1 0 390.281 2.663 20 0 GFADRO CCCC[C@@H](C[NH3+])NC(=O)Nc1ccc(I)cc1OC ZINC000415772861 563795666 /nfs/dbraw/zinc/79/56/66/563795666.db2.gz LCLUNCPSOCEGOP-NSHDSACASA-N 1 0 391.253 2.939 20 0 GFADRO CC[NH+]1CCN([C@H]2CCN(C(=O)c3cccc(Br)c3C)C2)CC1 ZINC000173109770 552078260 /nfs/dbraw/zinc/07/82/60/552078260.db2.gz BNRXZUSEDMIXBS-HNNXBMFYSA-N 1 0 380.330 2.610 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000173226125 552080114 /nfs/dbraw/zinc/08/01/14/552080114.db2.gz MACZMIWYNOPPBC-CABCVRRESA-N 1 0 394.313 2.700 20 0 GFADRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)S(=O)(=O)c1ccc(F)cc1Br ZINC000173240942 552080478 /nfs/dbraw/zinc/08/04/78/552080478.db2.gz ZYUMPZUPIRMUPY-MFKMUULPSA-N 1 0 379.295 2.549 20 0 GFADRO CC[NH+]1CCC(CCNS(=O)(=O)c2cc3c(cc2Cl)OCCO3)CC1 ZINC000173516257 552087368 /nfs/dbraw/zinc/08/73/68/552087368.db2.gz ANLVHGRJTAOQKK-UHFFFAOYSA-N 1 0 388.917 2.512 20 0 GFADRO C[C@@H]([NH2+]C(C)(C)CNC(=O)c1c[nH]c(=O)c(Br)c1)c1ccccc1 ZINC000173513253 552087370 /nfs/dbraw/zinc/08/73/70/552087370.db2.gz SYSVMKZNXRPYDB-GFCCVEGCSA-N 1 0 392.297 2.997 20 0 GFADRO COc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)NC[C@@H]2CCCO2)cc1Br ZINC000173654599 552090456 /nfs/dbraw/zinc/09/04/56/552090456.db2.gz PZGVZTOMHQONHM-BZPMIXESSA-N 1 0 385.302 2.792 20 0 GFADRO CCN1CCN(C(=O)[C@H](C)[NH2+][C@H](C)c2ccc(OC)c(Br)c2)CC1 ZINC000173654546 552090518 /nfs/dbraw/zinc/09/05/18/552090518.db2.gz VOFDTGRCKJWVLU-KGLIPLIRSA-N 1 0 398.345 2.661 20 0 GFADRO Cc1cc(S(=O)(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c(C)cc1Br ZINC000173823528 552092731 /nfs/dbraw/zinc/09/27/31/552092731.db2.gz PPTVUMNKUQAUOM-KGLIPLIRSA-N 1 0 387.343 2.923 20 0 GFADRO CN(CC[C@H]1CCCC[N@@H+]1C)Cc1nnnn1-c1ccccc1Br ZINC000173959545 552095708 /nfs/dbraw/zinc/09/57/08/552095708.db2.gz LIFCUAPWHZBBSH-CQSZACIVSA-N 1 0 393.333 2.731 20 0 GFADRO O=C(NCCNc1ncc(Cl)cc1Cl)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000174166255 552101234 /nfs/dbraw/zinc/10/12/34/552101234.db2.gz BETYEYFRSWZYRJ-CYBMUJFWSA-N 1 0 386.327 2.928 20 0 GFADRO CC[NH+](CC)[C@H]1CCN(C(=O)c2cc(=O)[nH]c3ccc(Br)cc32)C1 ZINC000174163543 552101341 /nfs/dbraw/zinc/10/13/41/552101341.db2.gz RFGJRTUMQWFDGE-ZDUSSCGKSA-N 1 0 392.297 2.847 20 0 GFADRO O=C(N1CC[C@H](C[NH+]2CCOCC2)C1)C1(c2cccc(Br)c2)CC1 ZINC000174186546 552101959 /nfs/dbraw/zinc/10/19/59/552101959.db2.gz QSKPJXUHCOLTTO-OAHLLOKOSA-N 1 0 393.325 2.661 20 0 GFADRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)NCc1sccc1Br ZINC000174446028 552104719 /nfs/dbraw/zinc/10/47/19/552104719.db2.gz RXJBMKJFMVBTCL-GFCCVEGCSA-N 1 0 390.347 2.763 20 0 GFADRO CC[NH+](CC)CCSCC(=O)Nc1ccc(Sc2nncn2C)cc1 ZINC000174526160 552105883 /nfs/dbraw/zinc/10/58/83/552105883.db2.gz DMSKKCCBXUHLPK-UHFFFAOYSA-N 1 0 379.555 2.980 20 0 GFADRO C[N@H+]1[C@@H]2CC[C@H]1CCN(C(=O)c1cnn(-c3ccc(Br)cc3)c1)C2 ZINC000174627728 552107242 /nfs/dbraw/zinc/10/72/42/552107242.db2.gz RFRAZDJCHIDHSL-DOTOQJQBSA-N 1 0 389.297 2.944 20 0 GFADRO O=C(Nc1ccc(Br)c(F)c1)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000174737980 552109464 /nfs/dbraw/zinc/10/94/64/552109464.db2.gz XTYZCDKEBHWIOZ-UHFFFAOYSA-N 1 0 398.276 2.517 20 0 GFADRO CN(Cc1nc(C(F)(F)F)cs1)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000174882084 552111808 /nfs/dbraw/zinc/11/18/08/552111808.db2.gz JDIWLAUQPDKJHC-UHFFFAOYSA-N 1 0 376.408 2.584 20 0 GFADRO C[N@H+](CCNC(=O)C(=O)Nc1ccc(F)c(Br)c1)C1CCCC1 ZINC000174911089 552112725 /nfs/dbraw/zinc/11/27/25/552112725.db2.gz XCWONPVGQVMXKU-UHFFFAOYSA-N 1 0 386.265 2.517 20 0 GFADRO O=C(NC1CC[NH+](Cc2cccnc2)CC1)c1ccc(Br)nc1 ZINC000175676578 552126751 /nfs/dbraw/zinc/12/67/51/552126751.db2.gz RKRQZHWBNWAVBE-UHFFFAOYSA-N 1 0 375.270 2.634 20 0 GFADRO C[C@H](CNC(=O)NCC1CC[NH+](C)CC1)Oc1ccccc1Br ZINC000175734099 552127904 /nfs/dbraw/zinc/12/79/04/552127904.db2.gz FKGJQBCHRHCEAJ-CYBMUJFWSA-N 1 0 384.318 2.857 20 0 GFADRO Cc1c(Br)cccc1NC(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000175941933 552132752 /nfs/dbraw/zinc/13/27/52/552132752.db2.gz HCWSLRTZKUGNDU-CYBMUJFWSA-N 1 0 383.334 2.763 20 0 GFADRO CC[S@](=O)[C@@H]1CCC[C@H](NC(=O)N(CC[NH+](C)C)Cc2cccs2)C1 ZINC000176581350 552141917 /nfs/dbraw/zinc/14/19/17/552141917.db2.gz UPCTWGBVAPPAGZ-XMJUDYLUSA-N 1 0 385.599 2.901 20 0 GFADRO CCO[C@H](CC[NH+](C)C)CNC(=O)[C@H](C)Oc1ccc(Br)cc1 ZINC000176857060 552147295 /nfs/dbraw/zinc/14/72/95/552147295.db2.gz SDEHMZVCWLVUQF-XJKSGUPXSA-N 1 0 387.318 2.689 20 0 GFADRO C[NH+](C)C1CCN(CCNC(=O)C2(c3cccc(Br)c3)CC2)CC1 ZINC000177150131 552150798 /nfs/dbraw/zinc/15/07/98/552150798.db2.gz IZTCVNLGTXBGKA-UHFFFAOYSA-N 1 0 394.357 2.623 20 0 GFADRO C[NH+]1CCC(CCNC(=O)N[C@@H](CO)c2cccc(Br)c2)CC1 ZINC000178079629 552163593 /nfs/dbraw/zinc/16/35/93/552163593.db2.gz MLJURAPHBOSFIR-INIZCTEOSA-N 1 0 384.318 2.514 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)C[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000178335363 552169305 /nfs/dbraw/zinc/16/93/05/552169305.db2.gz OFOROPHKLQRKQM-GXTWGEPZSA-N 1 0 396.329 2.838 20 0 GFADRO COC(=O)c1ccc(Cl)cc1S(=O)(=O)NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000178512255 552171889 /nfs/dbraw/zinc/17/18/89/552171889.db2.gz CERDMCSGTVWABK-OLZOCXBDSA-N 1 0 388.917 2.525 20 0 GFADRO O[C@H](COc1cccc(Br)c1)C[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000178705901 552173936 /nfs/dbraw/zinc/17/39/36/552173936.db2.gz CFPFVCHZTAVSHY-UWWQBHOKSA-N 1 0 384.314 2.816 20 0 GFADRO O=C(c1cc(F)c(F)cc1Br)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000178815883 552176194 /nfs/dbraw/zinc/17/61/94/552176194.db2.gz BWYJTLCKENQVGZ-LLVKDONJSA-N 1 0 389.240 2.522 20 0 GFADRO O=C(CCN1CC[NH+](C[C@H]2CCOC2)CC1)Nc1cc(Cl)ccc1Cl ZINC000178830222 552176510 /nfs/dbraw/zinc/17/65/10/552176510.db2.gz FCEOAVGHASCMEP-CQSZACIVSA-N 1 0 386.323 2.976 20 0 GFADRO C[C@H]([NH3+])C1CCN(C(=O)c2ccc(F)cc2I)CC1 ZINC000178866653 552177777 /nfs/dbraw/zinc/17/77/77/552177777.db2.gz QSKCRKGDZWVHQA-VIFPVBQESA-N 1 0 376.213 2.630 20 0 GFADRO O=S(=O)(c1cc(F)ccc1Br)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000178873474 552178168 /nfs/dbraw/zinc/17/81/68/552178168.db2.gz XXAQWPPPGMPBOG-ZDUSSCGKSA-N 1 0 391.306 2.837 20 0 GFADRO O=C(Cc1ccccc1I)NCCC[NH+]1CCCCC1 ZINC000178885655 552178243 /nfs/dbraw/zinc/17/82/43/552178243.db2.gz VWCKGJSONFHDEJ-UHFFFAOYSA-N 1 0 386.277 2.826 20 0 GFADRO CCCN(C(=O)c1cnn(-c2cccc(Br)c2)c1)[C@@H]1CC[NH2+]C1 ZINC000178893278 552178886 /nfs/dbraw/zinc/17/88/86/552178886.db2.gz ZODTZAMTIULDKL-MRXNPFEDSA-N 1 0 377.286 2.849 20 0 GFADRO COCC[N@H+](C)CCCNC(=O)NC(C)(C)c1ccccc1Br ZINC000178933398 552179623 /nfs/dbraw/zinc/17/96/23/552179623.db2.gz WLEJSYFKIIYDMF-UHFFFAOYSA-N 1 0 386.334 2.952 20 0 GFADRO O=C(NCC[C@H]1CC[NH2+]C1)[C@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1 ZINC000178955970 552180225 /nfs/dbraw/zinc/18/02/25/552180225.db2.gz GGJWMRXEDFLRLO-MLGOLLRUSA-N 1 0 384.307 2.714 20 0 GFADRO C[NH2+]C[C@H]1CCN(C(=O)c2c(C)c3cc(Br)ccc3oc2=O)C1 ZINC000179002291 552181826 /nfs/dbraw/zinc/18/18/26/552181826.db2.gz RJVVMRXEXWBXPY-LLVKDONJSA-N 1 0 379.254 2.545 20 0 GFADRO CN(C(=O)Cc1csc(-c2cccc(Br)c2)n1)[C@H]1CC[NH2+]C1 ZINC000179111419 552184397 /nfs/dbraw/zinc/18/43/97/552184397.db2.gz CDSGZWCROUBOQI-AWEZNQCLSA-N 1 0 380.311 2.935 20 0 GFADRO C[C@H]([NH2+]CC1CCN(S(=O)(=O)C(F)(F)F)CC1)c1ccc(Cl)nc1 ZINC000179125355 552185181 /nfs/dbraw/zinc/18/51/81/552185181.db2.gz QJIBPHYWVUAJDU-JTQLQIEISA-N 1 0 385.839 2.947 20 0 GFADRO CCS(=O)(=O)N(C)CCC[NH2+][C@@H]1CCc2c1cccc2Br ZINC000179206720 552186562 /nfs/dbraw/zinc/18/65/62/552186562.db2.gz GXMCAMYSNJIWCY-OAHLLOKOSA-N 1 0 375.332 2.698 20 0 GFADRO COc1ccc(Br)c(CNC(=O)N[C@H](CC[NH3+])C(F)(F)F)c1 ZINC000415996417 563801525 /nfs/dbraw/zinc/80/15/25/563801525.db2.gz PAMQYCUYYWXURO-LLVKDONJSA-N 1 0 384.196 2.537 20 0 GFADRO NC(=O)[C@H](c1cccc(Br)c1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000179333939 552189941 /nfs/dbraw/zinc/18/99/41/552189941.db2.gz JHBZXXJWBMEHPB-KRWDZBQOSA-N 1 0 380.330 2.926 20 0 GFADRO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]C[C@H](O)c2ccc(Cl)c(F)c2)c1 ZINC000179502041 552194997 /nfs/dbraw/zinc/19/49/97/552194997.db2.gz HGJOKTJMSDQGKB-DIFFPNOSSA-N 1 0 386.876 2.771 20 0 GFADRO C[C@@H](Cn1cc(Br)cn1)[NH2+][C@H]1CCCN(c2ccccc2F)C1=O ZINC000179498660 552195246 /nfs/dbraw/zinc/19/52/46/552195246.db2.gz OIRUGNHRPXYCAT-WFASDCNBSA-N 1 0 395.276 2.958 20 0 GFADRO CC[C@](C)(COc1ncccc1Cl)[NH2+]C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000179626572 552198401 /nfs/dbraw/zinc/19/84/01/552198401.db2.gz QUFLKBBVSFGNHY-RHSMWYFYSA-N 1 0 389.949 2.544 20 0 GFADRO COc1cc(Cl)c(Cl)cc1C(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000179752134 552201874 /nfs/dbraw/zinc/20/18/74/552201874.db2.gz LTTCCDNVLDVXOD-UHFFFAOYSA-N 1 0 375.296 2.921 20 0 GFADRO C[N@H+](CCCO)C1CCN(C(=O)/C=C/c2ccccc2Br)CC1 ZINC000179755192 552201910 /nfs/dbraw/zinc/20/19/10/552201910.db2.gz DWZHMTFTKFNLPA-BQYQJAHWSA-N 1 0 381.314 2.768 20 0 GFADRO CC(C)[C@H]([NH2+]CCOc1cc(Cl)ccc1Cl)C(=O)N1CCOCC1 ZINC000180068352 552212319 /nfs/dbraw/zinc/21/23/19/552212319.db2.gz AVAJBZAFMBTPOC-INIZCTEOSA-N 1 0 375.296 2.845 20 0 GFADRO CC(C)[C@@H]([NH2+]CCOc1cc(Cl)ccc1Cl)C(=O)N1CCOCC1 ZINC000180068370 552212333 /nfs/dbraw/zinc/21/23/33/552212333.db2.gz AVAJBZAFMBTPOC-MRXNPFEDSA-N 1 0 375.296 2.845 20 0 GFADRO CC[C@@H](CO)[NH+]1CCN(Cc2ccc(Br)c3cccnc23)CC1 ZINC000180214798 552218010 /nfs/dbraw/zinc/21/80/10/552218010.db2.gz FXIGNZJDQMFFTH-HNNXBMFYSA-N 1 0 378.314 2.886 20 0 GFADRO CC(C)(COc1ncccc1Br)[NH2+]CC(=O)Nc1ccncc1 ZINC000180395212 552225113 /nfs/dbraw/zinc/22/51/13/552225113.db2.gz OQVVSBUSIOTFCR-UHFFFAOYSA-N 1 0 379.258 2.625 20 0 GFADRO CC(C)COC[C@@H](O)C[NH2+][C@@H](C)c1cc2c(cc1Br)OCCO2 ZINC000180460638 552226842 /nfs/dbraw/zinc/22/68/42/552226842.db2.gz CUHPRCZILRUBEF-STQMWFEESA-N 1 0 388.302 2.904 20 0 GFADRO COCC[N@H+](C)CCNC(=O)c1ccc(Br)cc1C(F)(F)F ZINC000180488038 552227651 /nfs/dbraw/zinc/22/76/51/552227651.db2.gz ILDHMWMTDAWBMS-UHFFFAOYSA-N 1 0 383.208 2.776 20 0 GFADRO CC[C@H]([NH2+]CCS(=O)(=O)NC[C@@H]1CCCCO1)c1ccc(Cl)s1 ZINC000180745135 552234593 /nfs/dbraw/zinc/23/45/93/552234593.db2.gz FRFCLYJOXDWACK-STQMWFEESA-N 1 0 380.963 2.931 20 0 GFADRO C[C@H]([NH2+][C@@H]1CC(=O)N(CCN2CCOCC2)C1)c1ccc(Cl)c(Cl)c1 ZINC000181038223 552243516 /nfs/dbraw/zinc/24/35/16/552243516.db2.gz HUXGXURINAIPDZ-DZGCQCFKSA-N 1 0 386.323 2.577 20 0 GFADRO C[NH+](C)Cc1cccc(C(=O)N[C@H](CO)c2cccc(Br)c2)c1 ZINC000181104096 552247095 /nfs/dbraw/zinc/24/70/95/552247095.db2.gz LXLHIUNXZKZYBI-QGZVFWFLSA-N 1 0 377.282 2.974 20 0 GFADRO C[C@H](CN1CCOCC1)[NH+]1CCN(CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000181170101 552249024 /nfs/dbraw/zinc/24/90/24/552249024.db2.gz YJSBKYWBLGGYFH-MRXNPFEDSA-N 1 0 386.367 2.874 20 0 GFADRO COC(=O)CS(=O)(=O)Cc1ccc(C[NH2+][C@@H](C)c2ccc(C)s2)cc1 ZINC000181316392 552252876 /nfs/dbraw/zinc/25/28/76/552252876.db2.gz JHNPSXLZMKWINY-AWEZNQCLSA-N 1 0 381.519 2.995 20 0 GFADRO C[C@H]([NH2+][C@@H](CO)c1cccc(Br)c1)c1ccc(-n2cnnn2)cc1 ZINC000181392243 552255316 /nfs/dbraw/zinc/25/53/16/552255316.db2.gz SHMSZYXPRPPDTO-SJCJKPOMSA-N 1 0 388.269 2.809 20 0 GFADRO COC1(C[NH2+][C@@H](C)CC(=O)Nc2cccc(Br)c2)CCOCC1 ZINC000181546298 552260519 /nfs/dbraw/zinc/26/05/19/552260519.db2.gz NHVUFXLYNFDEDA-ZDUSSCGKSA-N 1 0 385.302 2.951 20 0 GFADRO C[C@@H]([NH2+]C[C@H](O)CS(=O)(=O)c1cccs1)c1ccc2ccccc2n1 ZINC000181636418 552263459 /nfs/dbraw/zinc/26/34/59/552263459.db2.gz JIUHPRJMGLHQJM-HIFRSBDPSA-N 1 0 376.503 2.782 20 0 GFADRO CC[C@H]([NH2+]C[C@@H](O)CS(=O)(=O)c1cccs1)c1ccc(F)cc1F ZINC000181641315 552263663 /nfs/dbraw/zinc/26/36/63/552263663.db2.gz FZSNWOAGNCNYSJ-DOMZBBRYSA-N 1 0 375.462 2.902 20 0 GFADRO C[C@@H]([NH2+]C[C@H]1CCN(S(C)(=O)=O)C1)c1ccc(F)c(Br)c1 ZINC000181681154 552265523 /nfs/dbraw/zinc/26/55/23/552265523.db2.gz VMAVNVBWZYZJMB-GHMZBOCLSA-N 1 0 379.295 2.520 20 0 GFADRO O=S1(=O)CCC(C[NH2+]C2CCN(Cc3c(F)cccc3Cl)CC2)CC1 ZINC000181762976 552266880 /nfs/dbraw/zinc/26/68/80/552266880.db2.gz DVCDRFOPQBNYBY-UHFFFAOYSA-N 1 0 388.936 2.858 20 0 GFADRO C[C@@H]([NH2+][C@@H](CC(N)=O)C1CCOCC1)C(=O)Nc1ccc(Cl)cc1Cl ZINC000181961923 552271510 /nfs/dbraw/zinc/27/15/10/552271510.db2.gz BMHAXJOLJVOKBV-BMIGLBTASA-N 1 0 388.295 2.581 20 0 GFADRO C[C@H]([NH2+][C@H](CC(N)=O)C1CCOCC1)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000181955861 552271648 /nfs/dbraw/zinc/27/16/48/552271648.db2.gz UKNDFMOPENGBGA-ZUZCIYMTSA-N 1 0 388.295 2.581 20 0 GFADRO CCOC(=O)COc1c(Br)cc(C)cc1C[NH2+]C1CCOCC1 ZINC000182274213 552280232 /nfs/dbraw/zinc/28/02/32/552280232.db2.gz OKVRCNIRMLHUSF-UHFFFAOYSA-N 1 0 386.286 2.968 20 0 GFADRO CC[C@@H]([NH2+]CC(=O)Nc1ccc(I)cc1)[C@H]1CCCO1 ZINC000182351096 552281223 /nfs/dbraw/zinc/28/12/23/552281223.db2.gz UYVMOQZCNKQZBA-ZIAGYGMSSA-N 1 0 388.249 2.777 20 0 GFADRO NC(=O)c1cccc(C[NH2+][C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)c1 ZINC000182426272 552283673 /nfs/dbraw/zinc/28/36/73/552283673.db2.gz MLVXQWMPIODPJA-INIZCTEOSA-N 1 0 378.259 2.987 20 0 GFADRO CCO[C@H](CC[NH+](C)C)CNC(=O)CCc1cc(F)ccc1Br ZINC000182522332 552286524 /nfs/dbraw/zinc/28/65/24/552286524.db2.gz DFQZJDZXEYOLJM-OAHLLOKOSA-N 1 0 389.309 2.994 20 0 GFADRO C[C@H](CS(C)(=O)=O)[NH2+]CC1(c2cccc(C(F)(F)F)c2)CCOCC1 ZINC000182578989 552287581 /nfs/dbraw/zinc/28/75/81/552287581.db2.gz TYVAVDWXXYISBT-CYBMUJFWSA-N 1 0 379.444 2.776 20 0 GFADRO C[C@@H](CS(C)(=O)=O)[NH2+]CC1(c2cccc(Br)c2)CCOCC1 ZINC000182651757 552289926 /nfs/dbraw/zinc/28/99/26/552289926.db2.gz CQOKUFNMOCPEEL-ZDUSSCGKSA-N 1 0 390.343 2.520 20 0 GFADRO Cc1cc(Br)ccc1CNC(=O)N(C)CCCN1CC[NH+](C)CC1 ZINC000182826033 552293924 /nfs/dbraw/zinc/29/39/24/552293924.db2.gz VJXAMMIIRJRLFZ-UHFFFAOYSA-N 1 0 397.361 2.536 20 0 GFADRO C[C@H](CS(C)(=O)=O)[NH2+]CCSCCOc1cccc(Br)c1 ZINC000182952883 552296817 /nfs/dbraw/zinc/29/68/17/552296817.db2.gz GWNGFHWZHSSFDN-GFCCVEGCSA-N 1 0 396.372 2.584 20 0 GFADRO COc1ccc(C(=O)N2CCC[C@H]2C[NH+]2CCCCC2)nc1Br ZINC000183008636 552298617 /nfs/dbraw/zinc/29/86/17/552298617.db2.gz PEGOXKWJNLOKDM-ZDUSSCGKSA-N 1 0 382.302 2.943 20 0 GFADRO CCS(=O)(=O)C[C@H](C)[NH2+][C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000183113594 552300908 /nfs/dbraw/zinc/30/09/08/552300908.db2.gz PDCHYEVEHIZANX-CMPLNLGQSA-N 1 0 399.866 2.745 20 0 GFADRO COc1ccc(Br)cc1C[NH2+][C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000183197981 552302534 /nfs/dbraw/zinc/30/25/34/552302534.db2.gz DHRJROQVHSVEGN-HIFRSBDPSA-N 1 0 376.316 2.903 20 0 GFADRO Cc1c([C@H](C)[NH2+]CC(=O)Nc2cccc(I)c2)cnn1C ZINC000183344952 552306569 /nfs/dbraw/zinc/30/65/69/552306569.db2.gz SBKLIPOAQLQMKQ-JTQLQIEISA-N 1 0 398.248 2.622 20 0 GFADRO O=C(NCc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccccc1Br ZINC000183428379 552309084 /nfs/dbraw/zinc/30/90/84/552309084.db2.gz PDBFAVNMXQEZLU-INIZCTEOSA-N 1 0 389.293 2.946 20 0 GFADRO Cc1csc([C@H]([NH2+]C[C@@](C)(O)c2ccc(S(C)(=O)=O)cc2)C2CC2)n1 ZINC000183497252 552311164 /nfs/dbraw/zinc/31/11/64/552311164.db2.gz XRFFJVLQNOFKDY-SJLPKXTDSA-N 1 0 380.535 2.803 20 0 GFADRO C[NH+](C)C[C@@H]1CCN(C(=O)c2ncc(Br)cc2Br)C1 ZINC000183648591 552315879 /nfs/dbraw/zinc/31/58/79/552315879.db2.gz COSWEXFHFZKSGH-VIFPVBQESA-N 1 0 391.107 2.630 20 0 GFADRO CCc1cc(N2CCC([NH2+]Cc3cncc(Br)c3)CC2)ncn1 ZINC000183725942 552318237 /nfs/dbraw/zinc/31/82/37/552318237.db2.gz COZHMMDWTIOJPU-UHFFFAOYSA-N 1 0 376.302 2.955 20 0 GFADRO O[C@@H](Cn1cccn1)C[NH+]1CCC(Oc2cccc(Br)c2)CC1 ZINC000183824378 552320598 /nfs/dbraw/zinc/32/05/98/552320598.db2.gz MCLLLROHNNVOLS-OAHLLOKOSA-N 1 0 380.286 2.550 20 0 GFADRO Cc1ccc(NC(=O)N[C@H](C)CC[NH+]2CCN(C)CC2)cc1Br ZINC000184039737 552325883 /nfs/dbraw/zinc/32/58/83/552325883.db2.gz OMVCTAQARFOPAG-CQSZACIVSA-N 1 0 383.334 2.905 20 0 GFADRO O=S(=O)(c1ccc(Br)cc1F)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000184206303 552330102 /nfs/dbraw/zinc/33/01/02/552330102.db2.gz IOOROGMPTNZKTK-ZDUSSCGKSA-N 1 0 391.306 2.837 20 0 GFADRO C[C@H]([NH2+]CCOc1ccc(S(N)(=O)=O)cc1)c1nc(C(C)(C)C)cs1 ZINC000184488240 552336587 /nfs/dbraw/zinc/33/65/87/552336587.db2.gz LQQCHAVDOZSVGV-LBPRGKRZSA-N 1 0 383.539 2.818 20 0 GFADRO Cn1nc(CC[NH2+][C@@H](C(N)=O)c2ccc(Br)cc2)c2ccccc21 ZINC000184670008 552341697 /nfs/dbraw/zinc/34/16/97/552341697.db2.gz QVDCWWJYJUKGJT-QGZVFWFLSA-N 1 0 387.281 2.695 20 0 GFADRO COCCC[N@H+](C)CCNC(=O)Nc1cc(F)c(Br)cc1C ZINC000184843137 552345911 /nfs/dbraw/zinc/34/59/11/552345911.db2.gz NTBHMCJLERWCAC-UHFFFAOYSA-N 1 0 376.270 2.986 20 0 GFADRO CCOC(=O)C[C@@H](NC(=O)C[NH+](CC)CC)c1cccc(Br)c1 ZINC000184854200 552345931 /nfs/dbraw/zinc/34/59/31/552345931.db2.gz UQANQAURYYDYBN-OAHLLOKOSA-N 1 0 385.302 2.901 20 0 GFADRO CCC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2ccc(Br)cc2F)C1 ZINC000184982203 552350242 /nfs/dbraw/zinc/35/02/42/552350242.db2.gz AUEUFCCNEQIQFR-LBPRGKRZSA-N 1 0 393.322 2.941 20 0 GFADRO CC[NH+]1CCN(CCC(=O)Nc2cc(Br)c(C)cc2OC)CC1 ZINC000185038026 552351838 /nfs/dbraw/zinc/35/18/38/552351838.db2.gz NGQISSFBGQEJGW-UHFFFAOYSA-N 1 0 384.318 2.732 20 0 GFADRO [NH3+][C@H]1CC[C@@H]2CN(C(=O)c3ccc(Cl)c(I)c3)C[C@@H]12 ZINC000185033874 552351853 /nfs/dbraw/zinc/35/18/53/552351853.db2.gz ABAQXLWOGOTVJM-BREBYQMCSA-N 1 0 390.652 2.754 20 0 GFADRO Cc1ccc(CCC(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)c(Br)c1 ZINC000185526295 552365048 /nfs/dbraw/zinc/36/50/48/552365048.db2.gz PGYKOSZMBZNZQK-INIZCTEOSA-N 1 0 395.341 2.871 20 0 GFADRO CN(C[C@H](O)C(F)(F)F)C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000185810032 552371355 /nfs/dbraw/zinc/37/13/55/552371355.db2.gz KUWPKYLEVDNMHK-OCCSQVGLSA-N 1 0 379.448 2.525 20 0 GFADRO COc1cc(Br)cc(S(=O)(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000185842512 552371849 /nfs/dbraw/zinc/37/18/49/552371849.db2.gz FFHQSENIYSQVAK-WCQYABFASA-N 1 0 391.331 2.561 20 0 GFADRO CC[C@@H]([NH2+]C[C@@H]1CCCN(S(C)(=O)=O)C1)c1nc(C(F)(F)F)cs1 ZINC000185923666 552374108 /nfs/dbraw/zinc/37/41/08/552374108.db2.gz DMZQPPRFOGXNBH-WDEREUQCSA-N 1 0 385.477 2.874 20 0 GFADRO CC[C@H](Cc1ccccc1Br)[N@H+](C)CC(=O)NC1CCOCC1 ZINC000185924952 552374668 /nfs/dbraw/zinc/37/46/68/552374668.db2.gz YPMDFMPYVWAZKR-MRXNPFEDSA-N 1 0 383.330 2.997 20 0 GFADRO O=C(CC[NH+]1CCC(Cn2cncn2)CC1)Nc1ccccc1Br ZINC000186226234 552382211 /nfs/dbraw/zinc/38/22/11/552382211.db2.gz UXLGOHVBRRNKSF-UHFFFAOYSA-N 1 0 392.301 2.781 20 0 GFADRO O[C@H](COc1c(Cl)cccc1Cl)C[NH+]1CCC(Cn2cncn2)CC1 ZINC000186251313 552382600 /nfs/dbraw/zinc/38/26/00/552382600.db2.gz JNRZJZLZPDDDET-AWEZNQCLSA-N 1 0 385.295 2.737 20 0 GFADRO C[NH+](C)CCC1CCN(S(=O)(=O)c2ccc(OCC(F)F)cc2)CC1 ZINC000186313737 552384987 /nfs/dbraw/zinc/38/49/87/552384987.db2.gz BGRUGWRPDIBHHZ-UHFFFAOYSA-N 1 0 376.469 2.683 20 0 GFADRO O=C(NCCC[NH+]1CCCC1)c1ncc(Br)cc1Br ZINC000186384993 552386409 /nfs/dbraw/zinc/38/64/09/552386409.db2.gz NYYMHLWQVSRWSH-UHFFFAOYSA-N 1 0 391.107 2.822 20 0 GFADRO CCCOC[C@H](Cc1cccc(Br)c1)[NH2+][C@H](C)CS(C)(=O)=O ZINC000186503079 552389809 /nfs/dbraw/zinc/38/98/09/552389809.db2.gz RPQUITHAFMNGTI-CJNGLKHVSA-N 1 0 392.359 2.810 20 0 GFADRO COC(=O)c1sccc1S(=O)(=O)N[C@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000186584022 552392109 /nfs/dbraw/zinc/39/21/09/552392109.db2.gz IKEDHZJZAREFPO-DOMZBBRYSA-N 1 0 382.507 2.504 20 0 GFADRO CC(=O)N[C@H](CC(=O)N(C)CC[N@H+](C)C1CC1)c1ccc(Br)cc1 ZINC000186785926 552397761 /nfs/dbraw/zinc/39/77/61/552397761.db2.gz QSIITEJFLXBNJO-QGZVFWFLSA-N 1 0 396.329 2.569 20 0 GFADRO Cc1c(C(=O)N[C@@H]2C[NH2+]CC[C@H]2C)cnn1-c1cccc(Br)c1 ZINC000186881347 552399990 /nfs/dbraw/zinc/39/99/90/552399990.db2.gz ZIVNVHDJAQZYHV-BDJLRTHQSA-N 1 0 377.286 2.671 20 0 GFADRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)COc1ccc(Cl)cc1Cl ZINC000186901173 552401220 /nfs/dbraw/zinc/40/12/20/552401220.db2.gz CKFHWRBGNCCKLP-LBPRGKRZSA-N 1 0 375.296 2.676 20 0 GFADRO C[C@H](C(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C)c1ccc(Br)cc1 ZINC000186983779 552403041 /nfs/dbraw/zinc/40/30/41/552403041.db2.gz CVSDSBVKZDQHGI-KGLIPLIRSA-N 1 0 383.330 2.856 20 0 GFADRO COc1cccc(C(=O)NCC[NH2+]Cc2cccc(Br)c2OC)c1 ZINC000187168388 552408188 /nfs/dbraw/zinc/40/81/88/552408188.db2.gz UEKJJHDBAIFUER-UHFFFAOYSA-N 1 0 393.281 2.986 20 0 GFADRO CNS(=O)(=O)CC[NH2+][C@H](C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000187176695 552408223 /nfs/dbraw/zinc/40/82/23/552408223.db2.gz OHRVEHHULVQSOM-MRVPVSSYSA-N 1 0 378.338 2.924 20 0 GFADRO [NH3+]Cc1cc(C(=O)N2CCN(C(=O)c3cc(Cl)cc(Cl)c3)CC2)co1 ZINC000187315580 552412166 /nfs/dbraw/zinc/41/21/66/552412166.db2.gz AHWKASAAGWCVPC-UHFFFAOYSA-N 1 0 382.247 2.643 20 0 GFADRO Nc1c(Br)cc(Br)cc1C[NH2+][C@@H]1C=C[C@H](CO)C1 ZINC000187499007 552417071 /nfs/dbraw/zinc/41/70/71/552417071.db2.gz NWZWJFHZIKDZMT-GZMMTYOYSA-N 1 0 376.092 2.820 20 0 GFADRO COc1cc(Br)ccc1CNC(=O)N(C)CC1CC[NH+](C)CC1 ZINC000187615063 552420442 /nfs/dbraw/zinc/42/04/42/552420442.db2.gz XZARCRJVJSJPIP-UHFFFAOYSA-N 1 0 384.318 2.941 20 0 GFADRO C[C@@H]1CN(Cc2coc(-c3ccc(Br)cc3)n2)CC[N@@H+]1CCO ZINC000187709907 552422539 /nfs/dbraw/zinc/42/25/39/552422539.db2.gz VHOLWWZTELQPNS-CYBMUJFWSA-N 1 0 380.286 2.603 20 0 GFADRO CCC[C@H]([NH2+]C1CCN(S(=O)(=O)c2cnn(C)c2)CC1)c1ccsc1 ZINC000187788844 552424216 /nfs/dbraw/zinc/42/42/16/552424216.db2.gz NHMQTANIYXVWPC-KRWDZBQOSA-N 1 0 382.555 2.766 20 0 GFADRO Cc1ccc(CC(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)cc1Br ZINC000187787630 552424333 /nfs/dbraw/zinc/42/43/33/552424333.db2.gz XBKVFYHPRRCQHE-MRXNPFEDSA-N 1 0 383.330 2.869 20 0 GFADRO COC[C@H]([NH2+]C[C@@H](O)COc1cccc(Cl)c1Cl)C1CCOCC1 ZINC000187838638 552426040 /nfs/dbraw/zinc/42/60/40/552426040.db2.gz QNNRINMNFHAXFO-HIFRSBDPSA-N 1 0 378.296 2.764 20 0 GFADRO Cc1cc(F)c(Br)cc1NC(=O)C(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000187879358 552427155 /nfs/dbraw/zinc/42/71/55/552427155.db2.gz YSAALVMFPLUWOZ-GHMZBOCLSA-N 1 0 398.276 2.577 20 0 GFADRO C[C@H]1CCCC[N@H+](CC(=O)Nc2ccc(Cl)c(S(=O)(=O)N(C)C)c2)C1 ZINC000187990606 552430428 /nfs/dbraw/zinc/43/04/28/552430428.db2.gz YTWSEBVIGKVQOA-ZDUSSCGKSA-N 1 0 387.933 2.651 20 0 GFADRO C[C@H]1CC[C@](CO)([N@H+](C)CC(=O)N(C)Cc2cc(Br)cs2)C1 ZINC000188017371 552431751 /nfs/dbraw/zinc/43/17/51/552431751.db2.gz PZTBWUZBZJTWLY-LRDDRELGSA-N 1 0 389.359 2.952 20 0 GFADRO Cc1cc(S(=O)(=O)NC2CC[NH+](CCOC(C)C)CC2)sc1Cl ZINC000188077841 552433915 /nfs/dbraw/zinc/43/39/15/552433915.db2.gz OPMQWVZQCKYQOC-UHFFFAOYSA-N 1 0 380.963 2.878 20 0 GFADRO CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2cc(Br)c(C)cc2C)C1 ZINC000188112004 552435456 /nfs/dbraw/zinc/43/54/56/552435456.db2.gz PPDHXCCZYQAFGC-CQSZACIVSA-N 1 0 396.329 2.805 20 0 GFADRO Cc1cc(S(=O)(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)sc1Cl ZINC000188114866 552435641 /nfs/dbraw/zinc/43/56/41/552435641.db2.gz ICAMKYCVACQWSY-ZIAGYGMSSA-N 1 0 392.974 2.756 20 0 GFADRO CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)c1coc(Br)c1 ZINC000188177634 552438091 /nfs/dbraw/zinc/43/80/91/552438091.db2.gz WICIXJHGGSDWAZ-GOSISDBHSA-N 1 0 393.281 2.751 20 0 GFADRO COC[C@H]([NH2+]Cc1cc(OC)c(OC)cc1Br)C1CCOCC1 ZINC000188180050 552438120 /nfs/dbraw/zinc/43/81/20/552438120.db2.gz IQPHWGFVJXQKEH-HNNXBMFYSA-N 1 0 388.302 2.998 20 0 GFADRO CCCn1c2ccc(S(N)(=O)=O)cc2nc1SCCC[NH+]1CCCC1 ZINC000188257975 552440680 /nfs/dbraw/zinc/44/06/80/552440680.db2.gz MQDXNAZTIODCST-UHFFFAOYSA-N 1 0 382.555 2.672 20 0 GFADRO CN(Cc1cncc(Br)c1)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188277649 552441327 /nfs/dbraw/zinc/44/13/27/552441327.db2.gz PDICQAIPLFIBHV-LJQANCHMSA-N 1 0 390.325 2.913 20 0 GFADRO C[C@H](Cc1ccc(Br)cc1)[NH2+][C@@H]1CCN(c2cnn(C)c2)C1=O ZINC000188285715 552441475 /nfs/dbraw/zinc/44/14/75/552441475.db2.gz GWCSQAGRSJXQJP-MLGOLLRUSA-N 1 0 377.286 2.509 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C(=O)N1CC[NH+]2CCC1CC2 ZINC000188628237 552450166 /nfs/dbraw/zinc/45/01/66/552450166.db2.gz JNTWLVMDUIBUAT-UHFFFAOYSA-N 1 0 389.297 2.863 20 0 GFADRO O=C(N1CC[NH+]2CCC1CC2)[C@]12CCC(=O)N1c1cc(Cl)ccc1S2 ZINC000188665017 552451636 /nfs/dbraw/zinc/45/16/36/552451636.db2.gz BMLCKXXSJUXBHQ-GOSISDBHSA-N 1 0 377.897 2.575 20 0 GFADRO C[C@H]1CN(C(=O)c2c[nH]c3cccc(Br)c32)CC[N@@H+]1CC(C)(C)O ZINC000188659043 552451691 /nfs/dbraw/zinc/45/16/91/552451691.db2.gz BMNGUEFANMPNKC-LBPRGKRZSA-N 1 0 394.313 2.848 20 0 GFADRO CC(C)C(=O)NCCC[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000188759367 552454478 /nfs/dbraw/zinc/45/44/78/552454478.db2.gz DCDISHIHTVEQDY-UHFFFAOYSA-N 1 0 398.345 2.538 20 0 GFADRO C[N@H+](Cc1cc(Br)cc(Br)c1N)CC1(CO)CC1 ZINC000188955834 552458917 /nfs/dbraw/zinc/45/89/17/552458917.db2.gz PEPCLZNVWNRMIC-UHFFFAOYSA-N 1 0 378.108 2.998 20 0 GFADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2ncc(Br)s2)[C@H](C)C1 ZINC000189027394 552461464 /nfs/dbraw/zinc/46/14/64/552461464.db2.gz XAFDRWKNCURMMO-NEPJUHHUSA-N 1 0 390.347 2.772 20 0 GFADRO C[C@@H](Cn1cc(Br)cn1)[NH2+][C@@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000189039579 552461475 /nfs/dbraw/zinc/46/14/75/552461475.db2.gz DLWXVOFUJVMNLJ-BLLLJJGKSA-N 1 0 395.276 2.564 20 0 GFADRO CC[NH+]1CCN(CCC(=O)N[C@@H](C)c2ccc(Br)cc2OC)CC1 ZINC000189144288 552464022 /nfs/dbraw/zinc/46/40/22/552464022.db2.gz IKKIOEBFCVBQNV-AWEZNQCLSA-N 1 0 398.345 2.663 20 0 GFADRO CC[N@@H+]1CC[C@H](CNC(=O)c2nc(Br)ccc2Br)C1 ZINC000189212667 552466063 /nfs/dbraw/zinc/46/60/63/552466063.db2.gz IUICAYDBHHNFSY-SECBINFHSA-N 1 0 391.107 2.678 20 0 GFADRO C[NH+]1CCN(Cc2cccc(NC(=O)c3ncc(Br)s3)c2)CC1 ZINC000189237076 552466469 /nfs/dbraw/zinc/46/64/69/552466469.db2.gz ZHTYAOLZENXOAG-UHFFFAOYSA-N 1 0 395.326 2.905 20 0 GFADRO CC[N@H+](C[C@H](O)COc1cc(Cl)ccc1Cl)C[C@H](O)C(F)(F)F ZINC000189460576 552471881 /nfs/dbraw/zinc/47/18/81/552471881.db2.gz XRWAFTQDAZAJEG-GWCFXTLKSA-N 1 0 376.202 2.978 20 0 GFADRO C[N@H+](Cc1ccc(Br)c(Cl)c1)C1CCN(S(C)(=O)=O)CC1 ZINC000189550089 552474577 /nfs/dbraw/zinc/47/45/77/552474577.db2.gz HZIDZEMQQGNTFL-UHFFFAOYSA-N 1 0 395.750 2.958 20 0 GFADRO O=C(C1CC1)N1CCC[N@@H+](CCOc2cc(F)cc(Br)c2)CC1 ZINC000189684945 552477459 /nfs/dbraw/zinc/47/74/59/552477459.db2.gz PVINXZHHGYIHCS-UHFFFAOYSA-N 1 0 385.277 2.911 20 0 GFADRO O=C(NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1csc(C(F)(F)F)n1 ZINC000189910573 552482803 /nfs/dbraw/zinc/48/28/03/552482803.db2.gz FPHIXPIZWKTSGP-QWHCGFSZSA-N 1 0 377.432 2.660 20 0 GFADRO C[C@H]1CN(CCC(=O)Nc2cccc(Br)c2)CC[N@@H+]1CC(C)(C)O ZINC000189946780 552483558 /nfs/dbraw/zinc/48/35/58/552483558.db2.gz AOGHSSKNUNRAIJ-AWEZNQCLSA-N 1 0 398.345 2.555 20 0 GFADRO COC(=O)c1scc(C)c1S(=O)(=O)N(CC(C)C)C1CC[NH+](C)CC1 ZINC000190027501 552485733 /nfs/dbraw/zinc/48/57/33/552485733.db2.gz KKJDERMCKUCZCM-UHFFFAOYSA-N 1 0 388.555 2.584 20 0 GFADRO C[C@@H]1CN(C(=O)Nc2nnc(-c3ccsc3)s2)CC[N@@H+]1CC(C)(C)O ZINC000190146030 552488722 /nfs/dbraw/zinc/48/87/22/552488722.db2.gz HKDUYBMVGAPFSL-LLVKDONJSA-N 1 0 381.527 2.576 20 0 GFADRO CCS(=O)(=O)N1CC(C[NH2+]CC2=Cc3cc(Cl)cc(Cl)c3OC2)C1 ZINC000190287536 552491638 /nfs/dbraw/zinc/49/16/38/552491638.db2.gz CQTWDUHGVXUITK-UHFFFAOYSA-N 1 0 391.320 2.640 20 0 GFADRO CCN1CC[C@H](NS(=O)(=O)[C@@H]2CCO[C@@H]2C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000190400801 552494854 /nfs/dbraw/zinc/49/48/54/552494854.db2.gz FGRQUFVNKIJIEW-BEMMVCDISA-N 1 0 390.908 2.711 20 0 GFADRO COc1cc(Br)ccc1[C@H](C)[NH2+]Cc1cc(=O)n2nccc2[nH]1 ZINC000190436579 552496419 /nfs/dbraw/zinc/49/64/19/552496419.db2.gz XKBXEWPAETWGBS-JTQLQIEISA-N 1 0 377.242 2.645 20 0 GFADRO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1cc(C)c(Br)c(C)c1 ZINC000190495543 552498579 /nfs/dbraw/zinc/49/85/79/552498579.db2.gz VZLKQNOPQCSION-CYBMUJFWSA-N 1 0 384.318 2.851 20 0 GFADRO Cc1csc(C(=O)N2CCC[C@H]([NH+](C)C)C2)c1I ZINC000190946680 552514025 /nfs/dbraw/zinc/51/40/25/552514025.db2.gz QZZBRTWIECPLEZ-JTQLQIEISA-N 1 0 378.279 2.827 20 0 GFADRO C[NH+]1CCN(Cc2ccc(NC(=O)COC(C)(C)C)cc2Br)CC1 ZINC000191087338 552518627 /nfs/dbraw/zinc/51/86/27/552518627.db2.gz DGVRHMKRTNZAKS-UHFFFAOYSA-N 1 0 398.345 2.950 20 0 GFADRO CC(C)CS(=O)(=O)N1CCC([NH2+]Cc2ccc(Br)o2)CC1 ZINC000191566509 552532039 /nfs/dbraw/zinc/53/20/39/552532039.db2.gz BJUPFEHOEWKOMM-UHFFFAOYSA-N 1 0 379.320 2.582 20 0 GFADRO CCn1nccc1N1CCC[C@@H]([NH2+]Cc2cccc(Br)c2)C1=O ZINC000191636643 552534052 /nfs/dbraw/zinc/53/40/52/552534052.db2.gz IJQCZKRULVOSPK-OAHLLOKOSA-N 1 0 377.286 2.951 20 0 GFADRO COc1cc(C[NH2+][C@@H](C)C(=O)N(C)C)cc(Br)c1OC(F)F ZINC000191731543 552536413 /nfs/dbraw/zinc/53/64/13/552536413.db2.gz FGUSBWPBAJIIPK-QMMMGPOBSA-N 1 0 381.217 2.625 20 0 GFADRO COCC[NH+]1CCC(NC(=O)c2cc(Br)c(F)cc2F)CC1 ZINC000191963847 552544529 /nfs/dbraw/zinc/54/45/29/552544529.db2.gz BXGDANKJGCNTIE-UHFFFAOYSA-N 1 0 377.229 2.568 20 0 GFADRO COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000192089852 552550096 /nfs/dbraw/zinc/55/00/96/552550096.db2.gz BKEKWPOTKTWGNC-ZJUUUORDSA-N 1 0 386.279 2.682 20 0 GFADRO CS(=O)(=O)N1CCC[C@H](C[NH2+][C@@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)C1 ZINC000192100908 552550838 /nfs/dbraw/zinc/55/08/38/552550838.db2.gz FTSBNFKQQPEDIC-CSMYWGQOSA-N 1 0 390.908 2.570 20 0 GFADRO CC(C)[C@H](CNC(=O)c1cccc(Br)c1F)[NH+]1CCN(C)CC1 ZINC000192105169 552551297 /nfs/dbraw/zinc/55/12/97/552551297.db2.gz QFLGOTHIVFLZAZ-HNNXBMFYSA-N 1 0 386.309 2.590 20 0 GFADRO O=C(CSCC(F)(F)F)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000192222324 552556825 /nfs/dbraw/zinc/55/68/25/552556825.db2.gz SSHDEMCXVUZJIL-OAHLLOKOSA-N 1 0 376.444 2.689 20 0 GFADRO CC(C)C[N@H+](CC(=O)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1)C(C)C ZINC000192849573 552976284 /nfs/dbraw/zinc/97/62/84/552976284.db2.gz XJWLETAOEOHLPE-INIZCTEOSA-N 1 0 386.583 2.630 20 0 GFADRO COc1ccc(Br)c(S(=O)(=O)N[C@]2(C[NH3+])CCCC[C@@H]2C)c1 ZINC000193032379 552980632 /nfs/dbraw/zinc/98/06/32/552980632.db2.gz CSZIVCLAOFRVEC-NHYWBVRUSA-N 1 0 391.331 2.644 20 0 GFADRO C[C@H]1C[NH+](CC2CCN(C(=O)c3ncccc3Br)CC2)C[C@H](C)O1 ZINC000193082070 552982974 /nfs/dbraw/zinc/98/29/74/552982974.db2.gz QHFFICGSGGQDLT-KBPBESRZSA-N 1 0 396.329 2.806 20 0 GFADRO COc1ccc(Br)cc1S(=O)(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000193096833 552983298 /nfs/dbraw/zinc/98/32/98/552983298.db2.gz IBFDEHCIBOZGSB-GFCCVEGCSA-N 1 0 391.331 2.610 20 0 GFADRO C[N@@H+]1CCCN(C(=O)[C@H]2CCCN2C(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000193130683 552984089 /nfs/dbraw/zinc/98/40/89/552984089.db2.gz FOJVDKDCOOIOLW-MRXNPFEDSA-N 1 0 384.307 2.762 20 0 GFADRO FC(F)(F)c1nnc(N2CCC[N@H+](CCO[C@@H]3CCCCO3)CC2)s1 ZINC000193128820 552984410 /nfs/dbraw/zinc/98/44/10/552984410.db2.gz VXUJIWDIXZUTQH-GFCCVEGCSA-N 1 0 380.436 2.612 20 0 GFADRO [NH3+]C1CCN(S(=O)(=O)c2cc(Br)c(Cl)cc2Cl)CC1 ZINC000193223462 552986754 /nfs/dbraw/zinc/98/67/54/552986754.db2.gz OJLRXDOQHQDZLL-UHFFFAOYSA-N 1 0 388.114 2.868 20 0 GFADRO C[NH2+]C1CCN(S(=O)(=O)c2cc(Cl)c(Br)cc2F)CC1 ZINC000193272895 552988250 /nfs/dbraw/zinc/98/82/50/552988250.db2.gz VQAIYPMABBUYPU-UHFFFAOYSA-N 1 0 385.686 2.614 20 0 GFADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2ncccc2Br)[C@H](C)C1 ZINC000193280447 552988985 /nfs/dbraw/zinc/98/89/85/552988985.db2.gz SXARORLWNWYJPZ-HIFRSBDPSA-N 1 0 384.318 2.711 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)N[C@H]1CCC[NH2+][C@@H]1C ZINC000193532460 552995518 /nfs/dbraw/zinc/99/55/18/552995518.db2.gz HGAMLMVXHKBBSK-ILXRZTDVSA-N 1 0 384.567 2.608 20 0 GFADRO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)c1nn(-c2ccc(F)cc2)cc1Br ZINC000193646123 552999173 /nfs/dbraw/zinc/99/91/73/552999173.db2.gz WGWMHGPIBLHBJH-YGRLFVJLSA-N 1 0 381.249 2.644 20 0 GFADRO C[C@@H](CC(=O)Nc1ccc(Br)cc1)NCc1nnc2n1CCCC2 ZINC000193851497 553004974 /nfs/dbraw/zinc/00/49/74/553004974.db2.gz YMNQMTOAJNIRRI-LBPRGKRZSA-N 1 0 392.301 2.884 20 0 GFADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2Cc3cc(Br)ccc3O2)C1 ZINC000194363484 553018830 /nfs/dbraw/zinc/01/88/30/553018830.db2.gz ONDHWVORMDVLRM-GUYCJALGSA-N 1 0 381.314 2.943 20 0 GFADRO O=C(C1CC[NH+](C2CC2)CC1)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000195363021 553046094 /nfs/dbraw/zinc/04/60/94/553046094.db2.gz XBIKPKVCOZMJBY-UHFFFAOYSA-N 1 0 383.323 2.911 20 0 GFADRO C[NH+](C)C1(CNC(=O)c2ccc(F)cc2I)CCC1 ZINC000220941303 553055145 /nfs/dbraw/zinc/05/51/45/553055145.db2.gz AUJBDGBLFIZGLH-UHFFFAOYSA-N 1 0 376.213 2.644 20 0 GFADRO CC[NH+]1CCC(CNS(=O)(=O)c2ccc(Br)c(F)c2)CC1 ZINC000227121010 553062715 /nfs/dbraw/zinc/06/27/15/553062715.db2.gz XVTXLEZFQBMLJI-UHFFFAOYSA-N 1 0 379.295 2.598 20 0 GFADRO C[C@H]1C[C@@H](NC(=O)c2ccc(F)cc2I)CC[N@@H+]1C ZINC000227525806 553062813 /nfs/dbraw/zinc/06/28/13/553062813.db2.gz RALQHIYRXYDYQS-ONGXEEELSA-N 1 0 376.213 2.643 20 0 GFADRO C[C@H]1CN(C(=O)c2cc(Cl)ccc2I)[C@@H](C)C[NH2+]1 ZINC000227355282 553062840 /nfs/dbraw/zinc/06/28/40/553062840.db2.gz JKUVMSQGKKUXBB-IUCAKERBSA-N 1 0 378.641 2.767 20 0 GFADRO CCN(C)C(=O)C[NH2+]Cc1cc(Br)c(OC)c(Br)c1 ZINC000229520156 553064595 /nfs/dbraw/zinc/06/45/95/553064595.db2.gz HFUBJMPAMHGLKV-UHFFFAOYSA-N 1 0 394.107 2.788 20 0 GFADRO CN(CC[NH+]1CCCC1)S(=O)(=O)c1ccc(Cl)c(Br)c1 ZINC000234298186 553067277 /nfs/dbraw/zinc/06/72/77/553067277.db2.gz GXYHDZXFHLXACO-UHFFFAOYSA-N 1 0 381.723 2.819 20 0 GFADRO CCC(CC)(C[NH3+])NC(=O)C[C@@H](NC(C)=O)c1ccc(Br)cc1 ZINC000236754166 553071197 /nfs/dbraw/zinc/07/11/97/553071197.db2.gz NCXCFGSIZHWZQB-OAHLLOKOSA-N 1 0 384.318 2.650 20 0 GFADRO CCCN(C(=O)Cc1cccc(I)c1)C1CC[NH2+]CC1 ZINC000236803108 553071710 /nfs/dbraw/zinc/07/17/10/553071710.db2.gz NFXXNSQFKOZEDJ-UHFFFAOYSA-N 1 0 386.277 2.824 20 0 GFADRO CCCC[C@@H]([NH3+])C(=O)Nc1nc(-c2ccc(NS(C)(=O)=O)cc2)cs1 ZINC000236837412 553072433 /nfs/dbraw/zinc/07/24/33/553072433.db2.gz XIFDAANGEOSUGY-CYBMUJFWSA-N 1 0 382.511 2.638 20 0 GFADRO CCOc1cc(C[NH2+]C[C@@H]2CCS(=O)(=O)C2)ccc1OCC(F)(F)F ZINC000236947520 553072778 /nfs/dbraw/zinc/07/27/78/553072778.db2.gz OZALBYNHDJEOBG-ZDUSSCGKSA-N 1 0 381.416 2.551 20 0 GFADRO CCc1nc(C(=O)N2CCC(C[NH3+])CC2)nn1-c1c(Cl)cccc1Cl ZINC000237021746 553073757 /nfs/dbraw/zinc/07/37/57/553073757.db2.gz CCDYVKGEIKJRNL-UHFFFAOYSA-N 1 0 382.295 2.947 20 0 GFADRO C[NH2+]C[C@@H](C)CNS(=O)(=O)c1cc(Br)cc(C(F)(F)F)c1 ZINC000237059176 553074096 /nfs/dbraw/zinc/07/40/96/553074096.db2.gz HXUBBJZYZVODKI-MRVPVSSYSA-N 1 0 389.237 2.602 20 0 GFADRO COc1cc(C)c(Br)cc1S(=O)(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000237095568 553074403 /nfs/dbraw/zinc/07/44/03/553074403.db2.gz ZRSPHLCRMCEVKB-CQSZACIVSA-N 1 0 399.310 2.744 20 0 GFADRO COC(=O)C[C@@H](NC(=O)CCC1CC[NH2+]CC1)c1ccc(Br)cc1 ZINC000237204485 553076007 /nfs/dbraw/zinc/07/60/07/553076007.db2.gz LPARDHMBOWUOAY-MRXNPFEDSA-N 1 0 397.313 2.949 20 0 GFADRO COC(=O)C[C@H](NC(=O)CC1CC[NH2+]CC1)c1cccc(Br)c1 ZINC000237215966 553076030 /nfs/dbraw/zinc/07/60/30/553076030.db2.gz NKWFTYRMMXMPJL-HNNXBMFYSA-N 1 0 383.286 2.559 20 0 GFADRO C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)[C@@]2(C)CC[NH2+]C2)CC1 ZINC000237430872 553077692 /nfs/dbraw/zinc/07/76/92/553077692.db2.gz GEVKJGYCGBGOMZ-KDOFPFPSSA-N 1 0 380.330 2.654 20 0 GFADRO C[C@@H](Oc1cccc(Br)c1)C(=O)NCCC[NH2+]Cc1cccnc1 ZINC000237499525 553078209 /nfs/dbraw/zinc/07/82/09/553078209.db2.gz OTTDJURAOIFIAB-CQSZACIVSA-N 1 0 392.297 2.908 20 0 GFADRO C[C@H](CC(=O)N(C)CC(=O)Nc1ccccc1Br)C1CC[NH2+]CC1 ZINC000237492974 553078257 /nfs/dbraw/zinc/07/82/57/553078257.db2.gz UDVAYBFMCCBDMO-CYBMUJFWSA-N 1 0 396.329 2.872 20 0 GFADRO C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)[C@H]2CCCC[NH2+]2)CC1 ZINC000237500541 553078516 /nfs/dbraw/zinc/07/85/16/553078516.db2.gz AUSNQUFCZJPHGL-WMLDXEAASA-N 1 0 380.330 2.796 20 0 GFADRO C[C@H]1C[C@@H]([NH3+])CCN1C(=O)c1cc(F)c(F)cc1I ZINC000237515499 553078641 /nfs/dbraw/zinc/07/86/41/553078641.db2.gz MKJWQWDFYNJMEF-YUMQZZPRSA-N 1 0 380.176 2.521 20 0 GFADRO C[C@@H]1CCCN(C(=O)c2cc(F)c(F)cc2I)[C@H]1C[NH3+] ZINC000237522290 553078766 /nfs/dbraw/zinc/07/87/66/553078766.db2.gz LURIJGABPOXZAF-OQPBUACISA-N 1 0 394.203 2.769 20 0 GFADRO C[C@@]1(C(=O)NC[C@H]2CCN(c3cccc(Br)c3)C2)CCC[NH2+]C1 ZINC000237590375 553079332 /nfs/dbraw/zinc/07/93/32/553079332.db2.gz PJFXMUHGGMEBBR-RDTXWAMCSA-N 1 0 380.330 2.781 20 0 GFADRO C[C@@]1(C(=O)NC[C@@H]2CCN(c3cccc(Br)c3)C2)CCCC[NH2+]1 ZINC000237587205 553079583 /nfs/dbraw/zinc/07/95/83/553079583.db2.gz OHZIHXSPOWBUFL-KSSFIOAISA-N 1 0 380.330 2.924 20 0 GFADRO C[C@@H]1CN(C(=O)c2cccn2-c2cccc(I)c2)CC[NH2+]1 ZINC000237637880 553079842 /nfs/dbraw/zinc/07/98/42/553079842.db2.gz DTVCFCOZUSHZBN-GFCCVEGCSA-N 1 0 395.244 2.516 20 0 GFADRO O=S(=O)(Cc1cc(Cl)cc(Cl)c1)NCCC[NH2+]Cc1cccnc1 ZINC000237701680 553080721 /nfs/dbraw/zinc/08/07/21/553080721.db2.gz IVQHAZJAALRKSI-UHFFFAOYSA-N 1 0 388.320 2.988 20 0 GFADRO O=C(NCC[C@@H]1CCC[NH2+]C1)c1cc(F)c(F)cc1I ZINC000237710819 553081270 /nfs/dbraw/zinc/08/12/70/553081270.db2.gz OTHGTFMDUGAVCM-VIFPVBQESA-N 1 0 394.203 2.689 20 0 GFADRO [NH3+][C@@H](C(=O)N1CCN(Cc2ccc(Br)s2)CC1)c1ccccc1 ZINC000237801979 553082207 /nfs/dbraw/zinc/08/22/07/553082207.db2.gz ZOPFDXSQIAPDDK-MRXNPFEDSA-N 1 0 394.338 2.855 20 0 GFADRO O=C(CCCCc1ccc(I)cc1)NCC[NH2+]C1CC1 ZINC000237808130 553082303 /nfs/dbraw/zinc/08/23/03/553082303.db2.gz OBPNNBFKYJYMBZ-UHFFFAOYSA-N 1 0 386.277 2.872 20 0 GFADRO O=C(CCC1CC[NH2+]CC1)NCCc1ccc(I)s1 ZINC000237808872 553082328 /nfs/dbraw/zinc/08/23/28/553082328.db2.gz GMJRHENWCVQUHK-UHFFFAOYSA-N 1 0 392.306 2.791 20 0 GFADRO Cc1c(C(=O)N[C@H]2CCC[C@@H]2C[NH3+])cnn1-c1ccc(Br)cc1 ZINC000237847901 553082745 /nfs/dbraw/zinc/08/27/45/553082745.db2.gz JLWWBESBBIWBJI-WBMJQRKESA-N 1 0 377.286 2.800 20 0 GFADRO Cc1c(C(=O)N[C@H]2CCC[C@@H]2C[NH3+])cnn1-c1cccc(Br)c1 ZINC000237847990 553082777 /nfs/dbraw/zinc/08/27/77/553082777.db2.gz CPUMWUDDVJFUIK-WBMJQRKESA-N 1 0 377.286 2.800 20 0 GFADRO [NH3+][C@H]1CC[C@@H](C(=O)N2CCC(C(=O)Nc3ccccc3Br)CC2)C1 ZINC000237857493 553083256 /nfs/dbraw/zinc/08/32/56/553083256.db2.gz DCWZVRKNVFUAFZ-KGLIPLIRSA-N 1 0 394.313 2.754 20 0 GFADRO [NH3+][C@H]1CC[C@@H](C(=O)N2CCC(C(=O)Nc3ccc(Br)cc3)CC2)C1 ZINC000237857326 553083404 /nfs/dbraw/zinc/08/34/04/553083404.db2.gz UPDZRFZIBMBPRE-HIFRSBDPSA-N 1 0 394.313 2.754 20 0 GFADRO [NH3+][C@H]1CC[C@H](C(=O)N2CCC(C(=O)Nc3ccc(Br)cc3)CC2)C1 ZINC000237886840 553083638 /nfs/dbraw/zinc/08/36/38/553083638.db2.gz UPDZRFZIBMBPRE-ZFWWWQNUSA-N 1 0 394.313 2.754 20 0 GFADRO O=C(Cc1cccs1)Nc1ccccc1NC(=O)C[C@@H]1CSCC[NH2+]1 ZINC000238063891 553085570 /nfs/dbraw/zinc/08/55/70/553085570.db2.gz LYLRUODCQSEXNH-CYBMUJFWSA-N 1 0 375.519 2.963 20 0 GFADRO C[C@H](C(=O)NCCNC(=O)c1ccc(Br)cc1)[NH+]1[C@H](C)CC[C@H]1C ZINC000245203126 553089434 /nfs/dbraw/zinc/08/94/34/553089434.db2.gz ZOKWNPFUVYRMKW-MGPQQGTHSA-N 1 0 396.329 2.556 20 0 GFADRO CC[C@@H](C)[N@H+](C)CCNC(=O)C[C@@H](NC(C)=O)c1ccc(Br)cc1 ZINC000245399094 553089563 /nfs/dbraw/zinc/08/95/63/553089563.db2.gz VPDWIKSWAJIEIU-CXAGYDPISA-N 1 0 398.345 2.863 20 0 GFADRO CCOc1cc(C[N@@H+]2C[C@H](C(N)=O)CC[C@H]2C)cc(Br)c1OC ZINC000245512579 553091285 /nfs/dbraw/zinc/09/12/85/553091285.db2.gz ALAGQIODZWDMRS-DGCLKSJQSA-N 1 0 385.302 2.942 20 0 GFADRO CC[C@H]1CN(C(=O)Nc2cc(Br)ccc2F)CC[N@@H+]1C[C@H](C)O ZINC000245570583 553092694 /nfs/dbraw/zinc/09/26/94/553092694.db2.gz AQKIZMNSSAHIEE-AAEUAGOBSA-N 1 0 388.281 2.897 20 0 GFADRO NC(=O)[C@H]([NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCCC2)c1cccc(Br)c1 ZINC000245669710 553095064 /nfs/dbraw/zinc/09/50/64/553095064.db2.gz JTRSJUPMBBOSMM-FPCVCCKLSA-N 1 0 379.298 2.913 20 0 GFADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2ccncc2Br)[C@@H](C)C1 ZINC000245952422 553099636 /nfs/dbraw/zinc/09/96/36/553099636.db2.gz BGKJJPGIOFLEBY-BBRMVZONSA-N 1 0 384.318 2.711 20 0 GFADRO O=C(NC[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1)c1ccccc1Br ZINC000245936229 553099803 /nfs/dbraw/zinc/09/98/03/553099803.db2.gz VTCVYOCURWZCGA-JKSUJKDBSA-N 1 0 389.293 2.814 20 0 GFADRO Cc1cccc(I)c1C(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000245973140 553100409 /nfs/dbraw/zinc/10/04/09/553100409.db2.gz FVNUSMYAWFJSAM-OLZOCXBDSA-N 1 0 384.261 2.908 20 0 GFADRO CSc1nsc(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)n1 ZINC000246032797 553101026 /nfs/dbraw/zinc/10/10/26/553101026.db2.gz NVFVIHWCOVCZEL-DGCLKSJQSA-N 1 0 378.527 2.687 20 0 GFADRO CN(Cc1cc(Br)cs1)C(=O)C[N@@H+]1CC[C@H]2OCCC[C@H]2C1 ZINC000246413426 553107819 /nfs/dbraw/zinc/10/78/19/553107819.db2.gz ACMNSSZQOZPMMD-SWLSCSKDSA-N 1 0 387.343 2.970 20 0 GFADRO CC[S@](=O)[C@@H]1CCC[C@@H]([NH2+][C@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)C1 ZINC000246587493 553109834 /nfs/dbraw/zinc/10/98/34/553109834.db2.gz WNNAAAFCSQWMAA-HQPRLMJRSA-N 1 0 386.583 2.667 20 0 GFADRO O[C@H](COc1cccc(C(F)(F)F)c1)C[N@@H+]1CCS[C@@H]2COCC[C@@H]21 ZINC000246773777 553112425 /nfs/dbraw/zinc/11/24/25/553112425.db2.gz IEBHOHAZUXXWJY-CWRNSKLLSA-N 1 0 377.428 2.651 20 0 GFADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2ccc(Br)cn2)[C@@H](C)C1 ZINC000246778290 553113008 /nfs/dbraw/zinc/11/30/08/553113008.db2.gz LPOIUBPMRIEGQV-ZFWWWQNUSA-N 1 0 384.318 2.711 20 0 GFADRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)N[C@H](CO)c2cccc(Br)c2)C1 ZINC000246798822 553113289 /nfs/dbraw/zinc/11/32/89/553113289.db2.gz IZLSCXDCVPTNPH-RHSMWYFYSA-N 1 0 398.345 2.902 20 0 GFADRO C[C@H](CO[C@H]1CCOC1)[NH2+][C@@H](C)CC(=O)Nc1cccc(Br)c1 ZINC000246841922 553114135 /nfs/dbraw/zinc/11/41/35/553114135.db2.gz BQSXIMNBDHFZFR-ZENOOKHLSA-N 1 0 385.302 2.950 20 0 GFADRO CC(=O)N1CC[C@H](C[N@@H+](C)[C@H](C)C(=O)Nc2cccc(Br)c2)C1 ZINC000246839766 553114546 /nfs/dbraw/zinc/11/45/46/553114546.db2.gz QJQMRCAXVYLFTD-TZMCWYRMSA-N 1 0 382.302 2.576 20 0 GFADRO C[N@@H+]1CCC[C@H]2CN(S(=O)(=O)Cc3ccc(Br)cc3)CC[C@H]21 ZINC000247030364 553117283 /nfs/dbraw/zinc/11/72/83/553117283.db2.gz MFDPTVCGSKJKIH-GOEBONIOSA-N 1 0 387.343 2.695 20 0 GFADRO C[N@H+](CCC(=O)NCc1ccccc1Cl)[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000247019420 553117302 /nfs/dbraw/zinc/11/73/02/553117302.db2.gz XVDKDAJLTTWDSQ-IAGOWNOFSA-N 1 0 386.945 2.634 20 0 GFADRO CSC[C@H](CCO)NC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000247097540 553119182 /nfs/dbraw/zinc/11/91/82/553119182.db2.gz WHFWNAJXZNFQIH-APHBMKBZSA-N 1 0 389.924 2.638 20 0 GFADRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(Cc2csc(CS(C)(=O)=O)n2)C1 ZINC000247251647 553120076 /nfs/dbraw/zinc/12/00/76/553120076.db2.gz DWUIMLHMSJSYLC-HOTGVXAUSA-N 1 0 385.599 2.774 20 0 GFADRO C[C@H](Sc1nncn1C)C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000247248640 553120300 /nfs/dbraw/zinc/12/03/00/553120300.db2.gz DPSVBQDHSRAADI-KCQAQPDRSA-N 1 0 379.555 2.557 20 0 GFADRO CN1CCO[C@@H]([C@@H]([NH2+]CCCCCS(C)(=O)=O)c2ccc(Cl)cc2)C1 ZINC000248554083 553130915 /nfs/dbraw/zinc/13/09/15/553130915.db2.gz JUMFSZCFBYFWGU-MSOLQXFVSA-N 1 0 388.961 2.516 20 0 GFADRO Cc1nc(C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)nn1-c1c(Cl)cccc1Cl ZINC000248592616 553131387 /nfs/dbraw/zinc/13/13/87/553131387.db2.gz HIYDRIMXNDNCFA-MJVIPROJSA-N 1 0 380.279 2.692 20 0 GFADRO Cc1c(C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cnn1-c1ccc(Br)cc1 ZINC000248609219 553131802 /nfs/dbraw/zinc/13/18/02/553131802.db2.gz KNOVPDYXAQONLM-AFAVFJNCSA-N 1 0 389.297 2.753 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1cc(Cl)ccc1O[C@H](C)COC ZINC000248745179 553134307 /nfs/dbraw/zinc/13/43/07/553134307.db2.gz YYKUEAMUDRGQTN-UKRRQHHQSA-N 1 0 390.933 2.516 20 0 GFADRO Cc1cc(Br)ccc1S(=O)(=O)N(C)[C@H]1CC[N@@H+](C)C[C@H]1C ZINC000248785732 553135113 /nfs/dbraw/zinc/13/51/13/553135113.db2.gz XJXQUEOHLRRJSD-OCCSQVGLSA-N 1 0 375.332 2.718 20 0 GFADRO C[C@H](CNC(=O)C(=O)Nc1ccccc1Br)[N@@H+]1CCC[C@H](C)C1 ZINC000248875935 553136482 /nfs/dbraw/zinc/13/64/82/553136482.db2.gz NDXPRDWWPNFQQC-QWHCGFSZSA-N 1 0 382.302 2.624 20 0 GFADRO CCC1(CC)CN(CCCN2CC[S@@](=O)C(CC)(CC)C2)CC[S@]1=O ZINC000249000203 553137719 /nfs/dbraw/zinc/13/77/19/553137719.db2.gz MYBKEPJKADWYBS-DQEYMECFSA-N 1 0 390.659 2.623 20 0 GFADRO C[N@@H+]1CCC[C@H]2CN(C(=O)Cc3ccc(I)cc3)CC[C@H]21 ZINC000249013006 553137888 /nfs/dbraw/zinc/13/78/88/553137888.db2.gz JUSOAYGYQHPQKI-GOEBONIOSA-N 1 0 398.288 2.776 20 0 GFADRO C[C@H](CNC(=O)Nc1ccc(Cl)c(S(C)(=O)=O)c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000249069083 553138584 /nfs/dbraw/zinc/13/85/84/553138584.db2.gz QUBBFVGQVLBELC-CHWSQXEVSA-N 1 0 387.933 2.985 20 0 GFADRO NC(=O)CC[C@@H]1CCC[N@@H+]([C@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000249305425 553141716 /nfs/dbraw/zinc/14/17/16/553141716.db2.gz MXPQUSJNLKKFQB-BBRMVZONSA-N 1 0 394.313 2.532 20 0 GFADRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C[C@@H](O)COc1ccc(Cl)cc1Cl ZINC000249400611 553143044 /nfs/dbraw/zinc/14/30/44/553143044.db2.gz SNOAZIXDWNIBTM-UKRRQHHQSA-N 1 0 391.339 2.510 20 0 GFADRO CCOCCC[N@@H+]1CC[C@@H](NCC(=O)NCc2ccc(Cl)s2)[C@@H](C)C1 ZINC000249489858 553143757 /nfs/dbraw/zinc/14/37/57/553143757.db2.gz VCNSHXPPZJCDJH-GOEBONIOSA-N 1 0 387.977 2.744 20 0 GFADRO C[C@H](CNC(=O)[C@H]1C[C@H]1c1cccc(Br)c1)C[NH+]1CCN(C)CC1 ZINC000250485349 553147256 /nfs/dbraw/zinc/14/72/56/553147256.db2.gz KXSKRIZTFQVGTD-JLSDUUJJSA-N 1 0 394.357 2.552 20 0 GFADRO CN(Cc1c(F)cccc1Cl)S(=O)(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000250527664 553147494 /nfs/dbraw/zinc/14/74/94/553147494.db2.gz RFZNHAHNBFJMSZ-AWEZNQCLSA-N 1 0 389.924 2.716 20 0 GFADRO CC[C@@H]1CN(S(=O)(=O)c2ccc(Br)cc2Cl)CC[C@H]1[NH3+] ZINC000251875922 553148861 /nfs/dbraw/zinc/14/88/61/553148861.db2.gz UVGCRBQQMRFTPT-BXKDBHETSA-N 1 0 381.723 2.850 20 0 GFADRO COCCO[C@@H]1CCCN(CC(=O)N[C@@H](C)c2ccc(Br)cc2)C1 ZINC000252743896 553150438 /nfs/dbraw/zinc/15/04/38/553150438.db2.gz AWNKKXYWSWPPKQ-WMLDXEAASA-N 1 0 399.329 2.754 20 0 GFADRO C[N@@H+]1CCC[C@H]2CN(C(=O)NCCOc3cccc(Br)c3)CC[C@H]21 ZINC000252653619 553150525 /nfs/dbraw/zinc/15/05/25/553150525.db2.gz ZNEINDOOMNRMRC-WMLDXEAASA-N 1 0 396.329 2.954 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CCCCN1S(=O)(=O)c1ccc(Cl)cc1Br ZINC000261601103 553153851 /nfs/dbraw/zinc/15/38/51/553153851.db2.gz AATIXQXXCATXTG-BXKDBHETSA-N 1 0 381.723 2.993 20 0 GFADRO CC[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000261613758 553153869 /nfs/dbraw/zinc/15/38/69/553153869.db2.gz CKILZNSYJOSGPT-SJORKVTESA-N 1 0 380.330 2.796 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCCCN1S(=O)(=O)c1c(Cl)cccc1Br ZINC000261632907 553154553 /nfs/dbraw/zinc/15/45/53/553154553.db2.gz BLEBQTIBFSFKQX-JOYOIKCWSA-N 1 0 381.723 2.993 20 0 GFADRO COCC1(CNC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)CC[NH2+]CC1 ZINC000261727261 553157431 /nfs/dbraw/zinc/15/74/31/553157431.db2.gz MGRFTCJDASDYSG-LBPRGKRZSA-N 1 0 375.296 2.893 20 0 GFADRO Cc1ccccc1[C@H](O)CNC(=O)[C@@](C)([NH3+])c1ccc(Br)cc1 ZINC000261733207 553157566 /nfs/dbraw/zinc/15/75/66/553157566.db2.gz LCDHDMCAFWMRQR-AEFFLSMTSA-N 1 0 377.282 2.781 20 0 GFADRO O=C(CC[C@@H]1CC[NH2+]C1)NC[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000261771187 553158738 /nfs/dbraw/zinc/15/87/38/553158738.db2.gz ISYKLKLGHWJURO-HUUCEWRRSA-N 1 0 380.330 2.781 20 0 GFADRO C[C@@]([NH3+])(C(=O)N1CCC[C@@H](c2ncc[nH]2)C1)c1ccc(Br)cc1 ZINC000261843450 553160412 /nfs/dbraw/zinc/16/04/12/553160412.db2.gz VCUSZGSXGWJRCK-PXAZEXFGSA-N 1 0 377.286 2.752 20 0 GFADRO Cn1ccnc1[C@@H]1C[NH2+]CCN1CCOc1ccc(Cl)cc1Br ZINC000261823317 553160653 /nfs/dbraw/zinc/16/06/53/553160653.db2.gz USIISPJFAPJJQY-AWEZNQCLSA-N 1 0 399.720 2.861 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)CC[C@@H]1CC[NH2+]C1 ZINC000261852415 553161291 /nfs/dbraw/zinc/16/12/91/553161291.db2.gz NBOSGIJMVNAHFK-CYBMUJFWSA-N 1 0 382.302 2.592 20 0 GFADRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl ZINC000261846404 553161321 /nfs/dbraw/zinc/16/13/21/553161321.db2.gz PRXGPQOTXHRCJJ-HSMVNMDESA-N 1 0 384.307 2.794 20 0 GFADRO CC(C)(C)NS(=O)(=O)c1ccc(Cl)c(-c2nc(C3([NH3+])CCC3)no2)c1 ZINC000261886953 553162122 /nfs/dbraw/zinc/16/21/22/553162122.db2.gz XBODSURGOLOWBK-UHFFFAOYSA-N 1 0 384.889 2.805 20 0 GFADRO CN(Cc1ccc(Br)cc1)C(=O)[C@]1([NH3+])[C@@H]2CCCO[C@H]2C1(C)C ZINC000261943382 553163204 /nfs/dbraw/zinc/16/32/04/553163204.db2.gz VBQZYEMAIILPRI-IIDMSEBBSA-N 1 0 381.314 2.940 20 0 GFADRO O=S(=O)(NC[C@H]1[NH2+]CCc2ccccc21)c1ccc(F)cc1Br ZINC000261961914 553163347 /nfs/dbraw/zinc/16/33/47/553163347.db2.gz XVBRCNNZKSJSQZ-OAHLLOKOSA-N 1 0 399.285 2.754 20 0 GFADRO O=C(NC[C@@H]1CCN(c2ccc(Br)cc2)C1)[C@H]1CC12CC[NH2+]CC2 ZINC000261963336 553163379 /nfs/dbraw/zinc/16/33/79/553163379.db2.gz SIELVVWWNXNKCM-WMLDXEAASA-N 1 0 392.341 2.781 20 0 GFADRO Cc1noc([C@@H]2CCCN(C(=O)[C@@](C)([NH3+])c3ccc(Br)cc3)C2)n1 ZINC000261978865 553164233 /nfs/dbraw/zinc/16/42/33/553164233.db2.gz OIWMVHNSYZBSFD-PXAZEXFGSA-N 1 0 393.285 2.721 20 0 GFADRO [NH3+]CCN(CCc1ccccc1)S(=O)(=O)c1ccc(Br)cc1 ZINC000262028336 553164485 /nfs/dbraw/zinc/16/44/85/553164485.db2.gz NSXBRHOYGTWYEH-UHFFFAOYSA-N 1 0 383.311 2.641 20 0 GFADRO CN(CCOc1ccc(Br)cc1)C(=O)c1csc(CC[NH3+])n1 ZINC000262085573 553165273 /nfs/dbraw/zinc/16/52/73/553165273.db2.gz HLLCSACUVMCCSQ-UHFFFAOYSA-N 1 0 384.299 2.558 20 0 GFADRO CC(C)(C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(Cl)cc1 ZINC000262061418 553165370 /nfs/dbraw/zinc/16/53/70/553165370.db2.gz RRYKIIBCYFCKAX-AWEZNQCLSA-N 1 0 377.838 2.570 20 0 GFADRO [NH3+][C@H](Cc1ccccc1)C(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000262087178 553165851 /nfs/dbraw/zinc/16/58/51/553165851.db2.gz CACWGXKLBGEHSH-MRXNPFEDSA-N 1 0 379.291 2.607 20 0 GFADRO C[C@@]1(C[NH3+])CCN(C(=O)c2cc(I)ccc2Cl)C1 ZINC000262114990 553165990 /nfs/dbraw/zinc/16/59/90/553165990.db2.gz VWXPFEDAEKKSHV-ZDUSSCGKSA-N 1 0 378.641 2.756 20 0 GFADRO Cc1ccc(S(C)(=O)=O)cc1C(=O)Nc1ncc(C2CC[NH2+]CC2)s1 ZINC000262314688 553169129 /nfs/dbraw/zinc/16/91/29/553169129.db2.gz PNAQQWZUIPXTIE-UHFFFAOYSA-N 1 0 379.507 2.574 20 0 GFADRO COCC1(C(=O)N[C@@H](C)CCc2ccc(Br)cc2)CC[NH2+]CC1 ZINC000262315477 553169218 /nfs/dbraw/zinc/16/92/18/553169218.db2.gz BHXQSWINODYIQT-AWEZNQCLSA-N 1 0 383.330 2.903 20 0 GFADRO CC[NH2+][C@H](C)CNS(=O)(=O)c1cc(Br)cc(C(F)(F)F)c1 ZINC000262457838 553171375 /nfs/dbraw/zinc/17/13/75/553171375.db2.gz LRGILJAFRVQLCC-MRVPVSSYSA-N 1 0 389.237 2.744 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)c2cnn(-c3ccc(Br)cc3)c2)C1 ZINC000262583041 553172617 /nfs/dbraw/zinc/17/26/17/553172617.db2.gz NDDCXWMGOXXAQG-CHWSQXEVSA-N 1 0 377.286 2.834 20 0 GFADRO Cc1c(C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)cnn1-c1cccc(Br)c1 ZINC000262611326 553172887 /nfs/dbraw/zinc/17/28/87/553172887.db2.gz DJWIZQONAWDLCV-CABCVRRESA-N 1 0 389.297 2.910 20 0 GFADRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)c1ccc(Cl)c(I)c1 ZINC000262709076 553174239 /nfs/dbraw/zinc/17/42/39/553174239.db2.gz CCZLNJBJRHYPLT-PRHODGIISA-N 1 0 378.641 2.672 20 0 GFADRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 ZINC000262701880 553174244 /nfs/dbraw/zinc/17/42/44/553174244.db2.gz AWRHSKNRSGEWRM-LYRGGWFBSA-N 1 0 384.307 2.712 20 0 GFADRO O=C(N[C@@H]1CCC[NH2+]C1)c1cc(I)cc(C(F)(F)F)c1 ZINC000262767723 553175052 /nfs/dbraw/zinc/17/50/52/553175052.db2.gz SWMYFKNFLMXNJD-LLVKDONJSA-N 1 0 398.166 2.792 20 0 GFADRO C[C@H](Cc1ccc(Br)cc1)NC(=O)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000262798373 553176452 /nfs/dbraw/zinc/17/64/52/553176452.db2.gz PALSKZCVYJAPGW-CJNGLKHVSA-N 1 0 391.313 2.931 20 0 GFADRO CO[C@@H](C[NH3+])CC(=O)Nc1cc(-c2cc(Br)ccc2Cl)[nH]n1 ZINC000262868017 553177459 /nfs/dbraw/zinc/17/74/59/553177459.db2.gz MALCSZPMQNPKRF-SECBINFHSA-N 1 0 387.665 2.795 20 0 GFADRO CN(C(=O)C[NH+]1CCC(C(=O)Nc2cccc(Br)c2)CC1)C1CC1 ZINC000263712917 553191868 /nfs/dbraw/zinc/19/18/68/553191868.db2.gz NHFKBQDEESCYOH-UHFFFAOYSA-N 1 0 394.313 2.720 20 0 GFADRO C[C@@H](CNC(=O)CSc1cc(Cl)ccc1Cl)N1CC[NH+](C)CC1 ZINC000263732880 553192321 /nfs/dbraw/zinc/19/23/21/553192321.db2.gz HFHDEUOEDHIZGC-LBPRGKRZSA-N 1 0 376.353 2.838 20 0 GFADRO CC(C)[NH+](CCN(C)C(=O)CCn1cc(Br)ccc1=O)C(C)C ZINC000505405577 564181737 /nfs/dbraw/zinc/18/17/37/564181737.db2.gz YDCSQOVJUFGKIR-UHFFFAOYSA-N 1 0 386.334 2.578 20 0 GFADRO Cc1cc(S(=O)(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)c(C)cc1Br ZINC000564967021 564260244 /nfs/dbraw/zinc/26/02/44/564260244.db2.gz QLFGPGJPUDVKEE-QWHCGFSZSA-N 1 0 375.332 2.862 20 0 GFADRO CC[NH+](CC)CCS(=O)(=O)N[C@@H]1CCc2c1ccc(F)c2Br ZINC000451913940 564366630 /nfs/dbraw/zinc/36/66/30/564366630.db2.gz YLJZOLOITFZPFO-CQSZACIVSA-N 1 0 393.322 2.837 20 0 GFADRO C[N@H+](C[C@H](O)COc1ccc(Cl)cc1Br)CC1(O)CCC1 ZINC000546094725 564444404 /nfs/dbraw/zinc/44/44/04/564444404.db2.gz UAZGYRBCSMLVFS-LBPRGKRZSA-N 1 0 378.694 2.689 20 0 GFADRO C[C@@H]([NH2+]C[C@@H]1CCCCN1CCO)c1ccccc1I ZINC000453276339 564452190 /nfs/dbraw/zinc/45/21/90/564452190.db2.gz XQULYNZKVBWJPI-KGLIPLIRSA-N 1 0 388.293 2.789 20 0 GFADRO CN(CC[N@H+](C)C1CC1)C(=O)C(=O)Nc1cc(Cl)cc(Br)c1 ZINC000453748584 564469245 /nfs/dbraw/zinc/46/92/45/564469245.db2.gz LXFMCLQBKBFYKF-UHFFFAOYSA-N 1 0 388.693 2.594 20 0 GFADRO CC[NH+]1CCC(CNC(=O)c2c(F)cccc2I)CC1 ZINC000570616952 564514728 /nfs/dbraw/zinc/51/47/28/564514728.db2.gz DPAUUUWEQOWSAP-UHFFFAOYSA-N 1 0 390.240 2.892 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)c2ccc(I)c(F)c2)CC[N@@H+]1C ZINC000524651122 564684535 /nfs/dbraw/zinc/68/45/35/564684535.db2.gz JNRAERAUIKUOGJ-KOLCDFICSA-N 1 0 376.213 2.643 20 0 GFADRO C[C@@H](NC(=O)N1CCC[C@@H]1c1ccc(I)cc1)[C@H](C)[NH3+] ZINC000418729305 563223704 /nfs/dbraw/zinc/22/37/04/563223704.db2.gz QYBNZBAWMUPMGI-MISXGVKJSA-N 1 0 387.265 2.873 20 0 GFADRO CN(CCc1cccc(Br)c1)C(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000418741300 563224350 /nfs/dbraw/zinc/22/43/50/563224350.db2.gz AMYNANXEIHBCIB-CYBMUJFWSA-N 1 0 376.245 2.630 20 0 GFADRO CC[C@@H]([NH3+])c1cn(Cc2ccc(I)cc2Cl)nn1 ZINC000603243579 565891848 /nfs/dbraw/zinc/89/18/48/565891848.db2.gz CEJAYCMGXJAXBM-LLVKDONJSA-N 1 0 376.629 2.994 20 0 GFADRO Cn1ncc(Br)c1C[NH2+]CC[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000278584551 563262613 /nfs/dbraw/zinc/26/26/13/563262613.db2.gz YXSDMTXRNUYHNA-LBPRGKRZSA-N 1 0 387.322 2.919 20 0 GFADRO C[C@H](CNS(=O)(=O)c1c(Cl)cccc1Br)[NH+]1CCCC1 ZINC000312245807 563435936 /nfs/dbraw/zinc/43/59/36/563435936.db2.gz BGCSHPGEMLBFTO-SNVBAGLBSA-N 1 0 381.723 2.865 20 0 GFADRO CC[C@H]1C[N@H+](C)CCCN1S(=O)(=O)c1cc(Br)ccc1OC ZINC000318479790 563444266 /nfs/dbraw/zinc/44/42/66/563444266.db2.gz KSXJPFWGHUXMEB-ZDUSSCGKSA-N 1 0 391.331 2.563 20 0 GFADRO C[N@@H+]1CC[C@]2(CCN(C(=O)c3csc(I)c3)C2)C1 ZINC000386668866 563518768 /nfs/dbraw/zinc/51/87/68/563518768.db2.gz WLTHBWRZLQNRDJ-ZDUSSCGKSA-N 1 0 376.263 2.521 20 0 GFADRO Cn1ncc(Br)c1C(=O)N(CC[NH+](C)C)Cc1ccccc1F ZINC000294713703 563213682 /nfs/dbraw/zinc/21/36/82/563213682.db2.gz AHVRQDNLIFVQJE-UHFFFAOYSA-N 1 0 383.265 2.526 20 0 GFADRO Cc1nc(CNC(=O)NC[C@H]2[NH2+]CCCC2(C)C)sc1Br ZINC000418242950 563214225 /nfs/dbraw/zinc/21/42/25/563214225.db2.gz VPOJRGQQLYONNE-SNVBAGLBSA-N 1 0 375.336 2.791 20 0 GFADRO CS(=O)(=O)CC1CCC([NH2+]CCOc2cccc(C(F)(F)F)n2)CC1 ZINC000294742840 563215493 /nfs/dbraw/zinc/21/54/93/563215493.db2.gz LMBCLWSOSFQSKD-UHFFFAOYSA-N 1 0 380.432 2.672 20 0 GFADRO C[C@@H]1c2c(Cl)cc(Cl)cc2CCN1C(=O)NCCCN1CC[NH2+]CC1 ZINC000418303414 563215680 /nfs/dbraw/zinc/21/56/80/563215680.db2.gz VQCCBIAXSVJRRK-CYBMUJFWSA-N 1 0 385.339 2.917 20 0 GFADRO C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)NC2CC[NH2+]CC2)CC1 ZINC000418305699 563215731 /nfs/dbraw/zinc/21/57/31/563215731.db2.gz IOWWZEXUJHNUJG-AWEZNQCLSA-N 1 0 395.345 2.589 20 0 GFADRO COCc1cccc(S(=O)(=O)NC[C@H]2CC[N@H+](C)[C@@H]2c2cccs2)c1 ZINC000369539711 563216220 /nfs/dbraw/zinc/21/62/20/563216220.db2.gz JZBZUCZTWIVVRR-QAPCUYQASA-N 1 0 380.535 2.866 20 0 GFADRO CC(C)([NH3+])CNC(=O)N[C@@H](CO)c1ccc(Br)cc1C(F)(F)F ZINC000418421368 563216977 /nfs/dbraw/zinc/21/69/77/563216977.db2.gz BZAMWKFXLQORES-NSHDSACASA-N 1 0 398.223 2.538 20 0 GFADRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)N[C@H](CCO)c1ccccc1Br ZINC000418405113 563217115 /nfs/dbraw/zinc/21/71/15/563217115.db2.gz DBIUCWPUZRJCQG-VBNZEHGJSA-N 1 0 384.318 2.689 20 0 GFADRO CN(CC(=O)NC[C@H]1CC[N@H+](C)[C@@H]1c1cccs1)C(=O)c1cccs1 ZINC000369567664 563217442 /nfs/dbraw/zinc/21/74/42/563217442.db2.gz IKBSVESZLRGYBG-DYVFJYSZSA-N 1 0 377.535 2.691 20 0 GFADRO C[NH+]1CCN(c2ccc(Br)cc2NC(=O)c2ccsn2)CC1 ZINC000294806872 563217748 /nfs/dbraw/zinc/21/77/48/563217748.db2.gz UVONLMWKEQEHIO-UHFFFAOYSA-N 1 0 381.299 2.910 20 0 GFADRO C[C@@H]([NH3+])c1ccc(CNC(=O)N(C)CCn2cc(Br)cn2)cc1 ZINC000418455122 563217860 /nfs/dbraw/zinc/21/78/60/563217860.db2.gz CYIACVOXMCKTLN-GFCCVEGCSA-N 1 0 380.290 2.507 20 0 GFADRO [NH3+]C[C@@H](NC(=O)N1CCC[C@@H]1c1ccc(I)cc1)C1CC1 ZINC000418475586 563218067 /nfs/dbraw/zinc/21/80/67/563218067.db2.gz SUVMDJZQJHTDKM-HUUCEWRRSA-N 1 0 399.276 2.875 20 0 GFADRO COCCN(Cc1ccc(Br)s1)C(=O)N[C@H]1CCC[C@H]1C[NH3+] ZINC000418444710 563218163 /nfs/dbraw/zinc/21/81/63/563218163.db2.gz ATOJHLRZNIRHBL-AAEUAGOBSA-N 1 0 390.347 2.796 20 0 GFADRO COC(=O)c1ccc(C[NH2+]C[C@H](CO)Cc2cccc(Br)c2)[nH]1 ZINC000277652625 563218475 /nfs/dbraw/zinc/21/84/75/563218475.db2.gz OKEQASRHADIHIP-CYBMUJFWSA-N 1 0 381.270 2.505 20 0 GFADRO CC1(CNC(=O)N[C@H](CCO)c2ccccc2Br)CC[NH2+]CC1 ZINC000418525631 563219162 /nfs/dbraw/zinc/21/91/62/563219162.db2.gz YAROOPOXWFEFMU-OAHLLOKOSA-N 1 0 384.318 2.562 20 0 GFADRO C[C@H](CC[NH3+])NC(=O)N1CCC(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000418521143 563219292 /nfs/dbraw/zinc/21/92/92/563219292.db2.gz HYSZYRRBRDRMIW-GFCCVEGCSA-N 1 0 397.317 2.547 20 0 GFADRO C[C@@H](CC[NH3+])NC(=O)N1CCC[C@@H]1c1ccc(I)cc1 ZINC000418537193 563219897 /nfs/dbraw/zinc/21/98/97/563219897.db2.gz CPCMNNGPBMNYHW-SMDDNHRTSA-N 1 0 387.265 2.875 20 0 GFADRO CC[NH2+][C@H](C)CNC(=O)N1CCO[C@@H](c2ccc(Br)cc2)[C@@H]1C ZINC000418595852 563220648 /nfs/dbraw/zinc/22/06/48/563220648.db2.gz XIIUSTDTSHRGFT-DVOMOZLQSA-N 1 0 384.318 2.919 20 0 GFADRO CCN1CC[NH+](CCCCNC(=O)Cc2sccc2Br)CC1 ZINC000294891273 563220650 /nfs/dbraw/zinc/22/06/50/563220650.db2.gz FXHFAHOTQZTUEL-UHFFFAOYSA-N 1 0 388.375 2.587 20 0 GFADRO O=C(NCCC1=CC[NH2+]CC1)N1CCc2c(F)ccc(Br)c2C1 ZINC000418598531 563221011 /nfs/dbraw/zinc/22/10/11/563221011.db2.gz GSSBQELHGZRTKE-UHFFFAOYSA-N 1 0 382.277 2.966 20 0 GFADRO CS(=O)(=O)[C@@H]1CCCC[N@H+](CCC(=O)Nc2ccc(Cl)cc2F)C1 ZINC000277695887 563221277 /nfs/dbraw/zinc/22/12/77/563221277.db2.gz HJURHSLNGGHBQA-CYBMUJFWSA-N 1 0 376.881 2.707 20 0 GFADRO C[C@H](CNC(=O)c1ccc(I)cc1F)Cn1ccnc1 ZINC000294908510 563221655 /nfs/dbraw/zinc/22/16/55/563221655.db2.gz JUHJVAOMNSSNAU-SNVBAGLBSA-N 1 0 387.196 2.693 20 0 GFADRO C[C@H](CCC[NH3+])NC(=O)N1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000418711679 563222999 /nfs/dbraw/zinc/22/29/99/563222999.db2.gz UTLSSEWLSKYRQI-GFCCVEGCSA-N 1 0 387.311 2.588 20 0 GFADRO O=C(CC[N@H+]1CCC[C@H]([C@H](O)C(F)(F)F)C1)NCc1ccccc1Cl ZINC000277737296 563223425 /nfs/dbraw/zinc/22/34/25/563223425.db2.gz KOEWGNHTMCOAOZ-BBRMVZONSA-N 1 0 378.822 2.982 20 0 GFADRO [NH3+][C@H]1CCC[C@H](CNC(=O)N(CCO)Cc2cc(Br)cs2)C1 ZINC000418725796 563223436 /nfs/dbraw/zinc/22/34/36/563223436.db2.gz PDQZCPKCICYYNN-AAEUAGOBSA-N 1 0 390.347 2.532 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+][C@H]1CCCSC1 ZINC000294958857 563224063 /nfs/dbraw/zinc/22/40/63/563224063.db2.gz CLNILTOKAGFTCS-FZMZJTMJSA-N 1 0 387.343 2.948 20 0 GFADRO CSC1(CNC(=O)NC[C@H]2CC[N@H+](C)[C@@H]2c2cccs2)CCOCC1 ZINC000369794050 563225117 /nfs/dbraw/zinc/22/51/17/563225117.db2.gz ZNSIYDAUDGHILX-ZBFHGGJFSA-N 1 0 383.583 2.952 20 0 GFADRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)N[C@@H](c1cccs1)c1ccc(Cl)cc1 ZINC000418765410 563225139 /nfs/dbraw/zinc/22/51/39/563225139.db2.gz PIVSDSNIPGJZJL-MLGOLLRUSA-N 1 0 379.913 2.579 20 0 GFADRO C[C@H](NC(=O)C(=O)N[C@H]1CCC[C@H]([NH3+])C1)c1cc(F)c(Cl)cc1Cl ZINC000418847932 563227175 /nfs/dbraw/zinc/22/71/75/563227175.db2.gz KFFWRYBRBUMBII-GUBZILKMSA-N 1 0 376.259 2.696 20 0 GFADRO COCC[NH+]1CCC(Nc2nc(C(F)(F)F)c(Br)s2)CC1 ZINC000418876485 563228523 /nfs/dbraw/zinc/22/85/23/563228523.db2.gz MDVCAAXKOGYKCG-UHFFFAOYSA-N 1 0 388.253 3.447 20 0 GFADRO C[C@@H](NC(=O)C(=O)NCC1([NH3+])CCCCCC1)c1ccc(Br)cc1 ZINC000418865841 563228831 /nfs/dbraw/zinc/22/88/31/563228831.db2.gz MUUWHMSHGKTCFA-CYBMUJFWSA-N 1 0 396.329 2.794 20 0 GFADRO CCN(CCC[NH+](CC)CC)C(=O)c1cc(Br)c(C)n(C)c1=O ZINC000277852964 563228850 /nfs/dbraw/zinc/22/88/50/563228850.db2.gz ZQZAQHZVKZBZOI-UHFFFAOYSA-N 1 0 386.334 2.650 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N[C@H]2C[C@H](c3ccc(Cl)c(Cl)c3)C2)C1 ZINC000418897329 563229362 /nfs/dbraw/zinc/22/93/62/563229362.db2.gz XALNLXOTNGMRJF-YXCITZCRSA-N 1 0 384.307 2.551 20 0 GFADRO C[C@]1(C[NH3+])CCN(C(=O)C(=O)N[C@H]2C[C@H](c3ccc(Cl)c(Cl)c3)C2)C1 ZINC000418887986 563229424 /nfs/dbraw/zinc/22/94/24/563229424.db2.gz FEPZSASVILKQHI-SNUQEOBHSA-N 1 0 384.307 2.553 20 0 GFADRO COc1cc(Br)c(CNC(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)cc1OC ZINC000369960765 563229435 /nfs/dbraw/zinc/22/94/35/563229435.db2.gz XUKPPNBTJZRPPV-KGLIPLIRSA-N 1 0 397.313 2.957 20 0 GFADRO COc1cc(C[NH2+][C@@H]2CCCN(c3ccncn3)C2)cc(Br)c1O ZINC000369968847 563229693 /nfs/dbraw/zinc/22/96/93/563229693.db2.gz FTBBBFUGVCRAGG-CYBMUJFWSA-N 1 0 393.285 2.712 20 0 GFADRO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N[C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000418897870 563230364 /nfs/dbraw/zinc/23/03/64/563230364.db2.gz YCXKYFXERQREJD-MGPQQGTHSA-N 1 0 386.323 2.845 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CNC(=O)[C@@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC000370005540 563230760 /nfs/dbraw/zinc/23/07/60/563230760.db2.gz AEJOOMFVYSQYLN-UKRRQHHQSA-N 1 0 394.313 2.687 20 0 GFADRO COc1cc(Cl)c(Cl)cc1C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000370156258 563234518 /nfs/dbraw/zinc/23/45/18/563234518.db2.gz OGUOXDUIPHMNCE-CYBMUJFWSA-N 1 0 386.323 2.854 20 0 GFADRO [NH3+]C1CCN(C(=O)C(=O)N[C@H](c2ccsc2)c2ccc(Cl)cc2)CC1 ZINC000419127968 563234607 /nfs/dbraw/zinc/23/46/07/563234607.db2.gz UHVQJTKGWNCODA-INIZCTEOSA-N 1 0 377.897 2.557 20 0 GFADRO CN(C(=O)c1c(Br)cnn1C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000295253558 563238520 /nfs/dbraw/zinc/23/85/20/563238520.db2.gz KGTJLDAUKQVUJV-OAHLLOKOSA-N 1 0 391.313 2.919 20 0 GFADRO COC(=O)[C@@H](NC1CC[NH+](Cc2cccc(Br)c2)CC1)C1CC1 ZINC000419356465 563238558 /nfs/dbraw/zinc/23/85/58/563238558.db2.gz ODDSPMJCFHWKTB-KRWDZBQOSA-N 1 0 381.314 2.955 20 0 GFADRO CC(C)(CNC(=O)C(=O)N1CCC(C[NH3+])CC1)c1ccc(Cl)c(Cl)c1 ZINC000419366780 563239073 /nfs/dbraw/zinc/23/90/73/563239073.db2.gz WEGRPOIACKVHRY-UHFFFAOYSA-N 1 0 386.323 2.585 20 0 GFADRO CC(C)(CNC(=O)C(=O)NC[C@H]1CCC[NH2+]C1)c1ccc(Cl)c(Cl)c1 ZINC000419363702 563239342 /nfs/dbraw/zinc/23/93/42/563239342.db2.gz QXBOISDEDOBYSJ-LBPRGKRZSA-N 1 0 386.323 2.503 20 0 GFADRO Cc1cc(NC(=O)CC[N@@H+](C)C[C@H](O)c2ccccc2Br)no1 ZINC000295314306 563241767 /nfs/dbraw/zinc/24/17/67/563241767.db2.gz LLHURXKBVKEGCG-AWEZNQCLSA-N 1 0 382.258 2.740 20 0 GFADRO NC(=O)[C@H](NCC1CC[NH+](C2CC2)CC1)c1ccc(Br)cc1F ZINC000278135901 563242291 /nfs/dbraw/zinc/24/22/91/563242291.db2.gz VSFWUGVSHIIFMH-MRXNPFEDSA-N 1 0 384.293 2.579 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N[C@H](C)Cc1c(Cl)cccc1Cl ZINC000419592964 563243339 /nfs/dbraw/zinc/24/33/39/563243339.db2.gz MOZAKIIPNQCBBN-HSMVNMDESA-N 1 0 386.323 2.769 20 0 GFADRO O=C(Cc1cc[nH]c(=O)c1Br)N1CCC([NH+]2CCCCC2)CC1 ZINC000278200824 563244877 /nfs/dbraw/zinc/24/48/77/563244877.db2.gz SASVPWVZGTVKAE-UHFFFAOYSA-N 1 0 382.302 2.569 20 0 GFADRO C[C@@H]([NH2+]Cc1ccc(S(N)(=O)=O)c(Cl)c1)[C@@H](c1ccccc1)N(C)C ZINC000419682676 563245557 /nfs/dbraw/zinc/24/55/57/563245557.db2.gz JWXGCAUWMMPXBR-ACJLOTCBSA-N 1 0 381.929 2.768 20 0 GFADRO CC(C)c1ccc([C@H]([NH3+])CNC(=O)C(=O)NCc2ccc(Cl)s2)cc1 ZINC000419691561 563246295 /nfs/dbraw/zinc/24/62/95/563246295.db2.gz MLXSPMWMIRJVGZ-OAHLLOKOSA-N 1 0 379.913 2.957 20 0 GFADRO Cc1c(CNC(=O)C(=O)N2CC[C@@](C)(C[NH3+])C2)sc2ccc(Cl)cc12 ZINC000419711739 563247220 /nfs/dbraw/zinc/24/72/20/563247220.db2.gz PQHRVQYUTGQYQE-SFHVURJKSA-N 1 0 379.913 2.677 20 0 GFADRO O=C(NCCc1nc(C(F)(F)F)cs1)NCC1CC[NH+](C2CC2)CC1 ZINC000278268104 563247888 /nfs/dbraw/zinc/24/78/88/563247888.db2.gz XXVFWOJDCBZCQO-UHFFFAOYSA-N 1 0 376.448 2.878 20 0 GFADRO CC[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000419755918 563249631 /nfs/dbraw/zinc/24/96/31/563249631.db2.gz RFCQABPJODOFKU-HUUCEWRRSA-N 1 0 386.323 2.689 20 0 GFADRO CC[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000419755337 563249714 /nfs/dbraw/zinc/24/97/14/563249714.db2.gz QCDIFHCLRVQBBL-DFBGVHRSSA-N 1 0 386.323 2.674 20 0 GFADRO O=C(NCCOc1ncc(C(F)(F)F)cc1Cl)[C@@H]1C[NH+]2CCC1CC2 ZINC000370612975 563250300 /nfs/dbraw/zinc/25/03/00/563250300.db2.gz UHIJUXBSHDVIPI-GFCCVEGCSA-N 1 0 377.794 2.591 20 0 GFADRO CN(C)C(=O)N1CCC([NH2+][C@H]2CCN(c3cccc(Br)c3)C2)CC1 ZINC000278316527 563250513 /nfs/dbraw/zinc/25/05/13/563250513.db2.gz BJXFNAHJNPFHDM-INIZCTEOSA-N 1 0 395.345 2.763 20 0 GFADRO Cc1cc(Cl)cc(NC(=O)C(=O)NCC2([NH+](C)C)CC2)c1Br ZINC000419806205 563251048 /nfs/dbraw/zinc/25/10/48/563251048.db2.gz FBRWPNKKTAAKKA-UHFFFAOYSA-N 1 0 388.693 2.560 20 0 GFADRO C[NH2+]CCC1CCN(C(=O)C(=O)NCCc2ccc(Cl)cc2Cl)CC1 ZINC000419788146 563251291 /nfs/dbraw/zinc/25/12/91/563251291.db2.gz AWCIRZOVXJEORI-UHFFFAOYSA-N 1 0 386.323 2.500 20 0 GFADRO CNc1cc(I)ccc1C(=O)NCCC[NH+]1CCCC1 ZINC000419843876 563251898 /nfs/dbraw/zinc/25/18/98/563251898.db2.gz BMDNQUUOQHWRLD-UHFFFAOYSA-N 1 0 387.265 2.549 20 0 GFADRO O=C(NC[C@H]1CCC[NH2+]C1)C(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000419877605 563252383 /nfs/dbraw/zinc/25/23/83/563252383.db2.gz FVWVHUCAHCZHIM-BLLLJJGKSA-N 1 0 384.307 2.773 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H](NC(=O)C(=O)N(Cc2cccs2)Cc2cccs2)C1 ZINC000419886417 563252413 /nfs/dbraw/zinc/25/24/13/563252413.db2.gz ZZPVOTZIPVZTQU-ZIAGYGMSSA-N 1 0 377.535 2.725 20 0 GFADRO O=C(CNC(=O)c1ccc(Br)cc1)NCCC[NH2+]C1CCCCC1 ZINC000419908293 563252441 /nfs/dbraw/zinc/25/24/41/563252441.db2.gz HXEMMJIDWWYKSO-UHFFFAOYSA-N 1 0 396.329 2.608 20 0 GFADRO C[C@@H]1c2c(Cl)cc(Cl)cc2CCN1C(=O)C(=O)NC1CCC([NH3+])CC1 ZINC000419876673 563252678 /nfs/dbraw/zinc/25/26/78/563252678.db2.gz PCIQMDHUHQCLMC-GWMXKSKGSA-N 1 0 384.307 2.825 20 0 GFADRO O=C(NC[C@H]1CCC[C@@H]1[NH+]1CCOCC1)c1cc(Br)ccc1F ZINC000370757342 563254004 /nfs/dbraw/zinc/25/40/04/563254004.db2.gz HNERROGDSJATPB-WBMJQRKESA-N 1 0 385.277 2.819 20 0 GFADRO O=C(NC[C@@H]1CCC[C@@H]1[NH+]1CCOCC1)c1ccc(F)cc1Br ZINC000370760553 563254942 /nfs/dbraw/zinc/25/49/42/563254942.db2.gz RUMJHSVVQQPSMU-LRDDRELGSA-N 1 0 385.277 2.819 20 0 GFADRO C[C@H]1C[N@H+](CCCNC(=O)Cc2ccc(F)cc2Br)CCCO1 ZINC000278443546 563255548 /nfs/dbraw/zinc/25/55/48/563255548.db2.gz HTSGSUCLAATBBZ-ZDUSSCGKSA-N 1 0 387.293 2.748 20 0 GFADRO C[NH+](C)CC[C@@](C)(O)CNC(=O)c1cc(Br)cc(C(F)(F)F)c1 ZINC000420023510 563256416 /nfs/dbraw/zinc/25/64/16/563256416.db2.gz XUNDBWLYYYNPEG-CQSZACIVSA-N 1 0 397.235 2.900 20 0 GFADRO CN(C(=O)c1cc(F)cc(Br)c1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000370822365 563256513 /nfs/dbraw/zinc/25/65/13/563256513.db2.gz YVYYKBLYGNOCRE-QGZVFWFLSA-N 1 0 398.320 2.829 20 0 GFADRO Cc1cc(Br)c(C[NH2+]C[C@H]2CCN(S(C)(=O)=O)C2)cc1Cl ZINC000295705541 563258731 /nfs/dbraw/zinc/25/87/31/563258731.db2.gz MOZIAGXVPNEEJP-LLVKDONJSA-N 1 0 395.750 2.782 20 0 GFADRO COc1ccccc1N1CC[C@H](C[NH2+]Cc2c(Br)cnn2C)C1 ZINC000278508169 563259617 /nfs/dbraw/zinc/25/96/17/563259617.db2.gz OLFCZNWIKAVKSM-CYBMUJFWSA-N 1 0 379.302 2.807 20 0 GFADRO [NH3+]CCC(=O)NC[C@@H]1CCCCN1c1ccc2cc(Br)ccc2n1 ZINC000420240492 563260201 /nfs/dbraw/zinc/26/02/01/563260201.db2.gz GQIMJKOQJGEXMB-HNNXBMFYSA-N 1 0 391.313 2.821 20 0 GFADRO CC(=O)Nc1ccc(C[NH2+]Cc2cc3c(c(Br)c2)OCO3)cn1 ZINC000278587253 563262517 /nfs/dbraw/zinc/26/25/17/563262517.db2.gz GMTSCOZSGUUSKY-UHFFFAOYSA-N 1 0 378.226 2.821 20 0 GFADRO [NH3+]CC1(O)CCN(Cc2csc(-c3ccc(Br)cc3)n2)CC1 ZINC000420410273 563263072 /nfs/dbraw/zinc/26/30/72/563263072.db2.gz ZWKYOIGPEJPJBT-UHFFFAOYSA-N 1 0 382.327 2.858 20 0 GFADRO [NH3+]C[C@H]1CC[C@H](NS(=O)(=O)Cc2ccc(Cl)cc2Br)C1 ZINC000420452923 563263823 /nfs/dbraw/zinc/26/38/23/563263823.db2.gz JLHLRRGGQXMGJE-CABZTGNLSA-N 1 0 381.723 2.649 20 0 GFADRO O=S(=O)(c1ccc(F)c(C(F)(F)F)c1)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420450799 563263841 /nfs/dbraw/zinc/26/38/41/563263841.db2.gz AYDDCXQSGOJVIB-XHDPSFHLSA-N 1 0 380.407 2.997 20 0 GFADRO C[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2Br)C[C@@]1(C)C[NH3+] ZINC000420465989 563264290 /nfs/dbraw/zinc/26/42/90/563264290.db2.gz WKSSYFVKPPDPCU-NOZJJQNGSA-N 1 0 381.723 2.708 20 0 GFADRO Cc1ccc(S(=O)(=O)N2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc1Br ZINC000420469927 563265070 /nfs/dbraw/zinc/26/50/70/563265070.db2.gz WEXPGLXVNVKPRQ-CJNGLKHVSA-N 1 0 387.343 2.910 20 0 GFADRO [NH3+][C@@H]1CN(S(=O)(=O)Cc2cc(Cl)ccc2F)C[C@H]1c1cccc(F)c1 ZINC000420472117 563265275 /nfs/dbraw/zinc/26/52/75/563265275.db2.gz RLEUAFKJTFETCF-DOTOQJQBSA-N 1 0 386.851 2.875 20 0 GFADRO C[NH+]1CCN(c2ccnc(-c3noc(-c4cc(Br)co4)n3)c2)CC1 ZINC000420489006 563266953 /nfs/dbraw/zinc/26/69/53/563266953.db2.gz UHSBMUMBQARYBE-UHFFFAOYSA-N 1 0 390.241 2.906 20 0 GFADRO COC(=O)[C@@H]1CN(Cc2nnc(-c3ccc(Br)o3)o2)CC1(C)C ZINC000371150023 563267174 /nfs/dbraw/zinc/26/71/74/563267174.db2.gz CBEJDRCDKMQQKB-VIFPVBQESA-N 1 0 384.230 2.723 20 0 GFADRO C[NH+](C)CCN(Cc1ccsc1)C(=O)C(=O)NCc1cccc(Cl)c1 ZINC000420613461 563268592 /nfs/dbraw/zinc/26/85/92/563268592.db2.gz ZARLNOPCUISVTC-UHFFFAOYSA-N 1 0 379.913 2.608 20 0 GFADRO CC(C)[NH+]1CCC(N(C)S(=O)(=O)c2cc(F)ccc2OC(F)F)CC1 ZINC000420653715 563269961 /nfs/dbraw/zinc/26/99/61/563269961.db2.gz LXMYCWZIPCLRJO-UHFFFAOYSA-N 1 0 380.432 2.920 20 0 GFADRO C[C@H](CNS(=O)(=O)c1cc(F)ccc1OC(F)F)[N@@H+]1CCCC[C@@H]1C ZINC000420660942 563270887 /nfs/dbraw/zinc/27/08/87/563270887.db2.gz ZDDNHDYPGWCEIW-NWDGAFQWSA-N 1 0 380.432 2.968 20 0 GFADRO CCC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2cc(F)ccc2OC(F)F)C1 ZINC000420664263 563271545 /nfs/dbraw/zinc/27/15/45/563271545.db2.gz DZMZSOONNPHAEY-LBPRGKRZSA-N 1 0 380.432 2.780 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2Cc1cc2c(cc1Br)OCO2 ZINC000371300589 563271638 /nfs/dbraw/zinc/27/16/38/563271638.db2.gz QCWKYXNIWIRBFJ-KBMXLJTQSA-N 1 0 397.313 2.861 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2CC(=O)Nc1ccc(Br)cc1 ZINC000371294639 563271819 /nfs/dbraw/zinc/27/18/19/563271819.db2.gz MEKFIGUYDFSVQH-IKGGRYGDSA-N 1 0 396.329 2.571 20 0 GFADRO Cc1sc2c(cccc2C)c1S(=O)(=O)NCCC[NH+]1CCC(O)CC1 ZINC000420676070 563273300 /nfs/dbraw/zinc/27/33/00/563273300.db2.gz PLVWPPFFCKHHMH-UHFFFAOYSA-N 1 0 382.551 2.643 20 0 GFADRO O=C(NCC[NH+]1CCCCC1)C1CCN(C(=O)c2ccc(Cl)s2)CC1 ZINC000371456935 563277687 /nfs/dbraw/zinc/27/76/87/563277687.db2.gz OAEDUBFAYNKBQD-UHFFFAOYSA-N 1 0 383.945 2.856 20 0 GFADRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NS(=O)(=O)c1cc(F)ccc1OC(F)F ZINC000420716492 563278787 /nfs/dbraw/zinc/27/87/87/563278787.db2.gz CWPFSLYJACRRQQ-NEPJUHHUSA-N 1 0 380.432 2.826 20 0 GFADRO C[NH+]1CCC(CNC(=O)C2CCN(C(=O)c3ccc(Cl)s3)CC2)CC1 ZINC000371511674 563279909 /nfs/dbraw/zinc/27/99/09/563279909.db2.gz SLGHLBNBMQCETN-UHFFFAOYSA-N 1 0 383.945 2.712 20 0 GFADRO COC(=O)CSCCNC(=O)C1CC[NH+](Cc2ccc(Cl)s2)CC1 ZINC000371557346 563281825 /nfs/dbraw/zinc/28/18/25/563281825.db2.gz SWOGMHPQGVTYRK-UHFFFAOYSA-N 1 0 390.958 2.636 20 0 GFADRO COCC[NH+]1CCC(NC(=O)NC/C=C/c2ccc(Br)cc2)CC1 ZINC000296290588 563282234 /nfs/dbraw/zinc/28/22/34/563282234.db2.gz DMMZGBPDDLZBEB-NSCUHMNNSA-N 1 0 396.329 2.872 20 0 GFADRO Cc1nccn1CCNC(=O)N1CCc2c(F)ccc(Br)c2C1 ZINC000296338577 563283921 /nfs/dbraw/zinc/28/39/21/563283921.db2.gz HEXLZRGQABDZSL-UHFFFAOYSA-N 1 0 381.249 2.861 20 0 GFADRO Cn1ccc(N2CC[C@H]([NH2+]CC3=Cc4cc(Br)ccc4OC3)C2)n1 ZINC000371716167 563286093 /nfs/dbraw/zinc/28/60/93/563286093.db2.gz VNGBZXPZMFDOGS-INIZCTEOSA-N 1 0 389.297 2.827 20 0 GFADRO O=Cc1ccc(OCC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)c(Br)c1 ZINC000371779539 563287454 /nfs/dbraw/zinc/28/74/54/563287454.db2.gz AMQWYZNUJVZUNE-HNNXBMFYSA-N 1 0 395.297 2.585 20 0 GFADRO O=C(Nc1nc(-c2cccs2)cs1)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000371832710 563288969 /nfs/dbraw/zinc/28/89/69/563288969.db2.gz PTZPOJIEXPCQCB-VXGBXAGGSA-N 1 0 376.507 2.553 20 0 GFADRO CC[C@@H]1CCC[C@@H]1[NH2+]CC(=O)NCC(=O)Nc1ccccc1Br ZINC000279245927 563289230 /nfs/dbraw/zinc/28/92/30/563289230.db2.gz KQNLMIBBWZTYMB-OCCSQVGLSA-N 1 0 382.302 2.672 20 0 GFADRO CN(Cc1cc(Br)cs1)C(=O)C[N@@H+]1CC[C@H](O)CC12CCC2 ZINC000420996055 563293129 /nfs/dbraw/zinc/29/31/29/563293129.db2.gz QBSISAXRLDWUEC-ZDUSSCGKSA-N 1 0 387.343 2.848 20 0 GFADRO CNC(=O)[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)C1 ZINC000420980531 563293574 /nfs/dbraw/zinc/29/35/74/563293574.db2.gz UVPDSEPYRMZKCH-VHSXEESVSA-N 1 0 377.794 2.754 20 0 GFADRO CS(=O)(=O)c1ccc(-c2nc(C[NH2+][C@@H]3CCC[C@@H]3CCO)cs2)cc1 ZINC000279345445 563293775 /nfs/dbraw/zinc/29/37/75/563293775.db2.gz VDRJNHBSCRKJMI-CXAGYDPISA-N 1 0 380.535 2.854 20 0 GFADRO COC1([C@@H](C)[NH2+]Cc2cc3c(cc2Br)OCCO3)CCOCC1 ZINC000421036258 563294566 /nfs/dbraw/zinc/29/45/66/563294566.db2.gz QAIKZADWARXGCN-GFCCVEGCSA-N 1 0 386.286 2.894 20 0 GFADRO O=C(Cc1cc(Br)ccc1F)NC[C@@H]1CCC[C@@H]1[NH+]1CCOCC1 ZINC000372111686 563296644 /nfs/dbraw/zinc/29/66/44/563296644.db2.gz WGRRPWNDGJDRSR-GUYCJALGSA-N 1 0 399.304 2.748 20 0 GFADRO [NH3+][C@H]1CN(S(=O)(=O)c2ccccc2Br)C[C@@H]1c1ccc(F)cc1 ZINC000372178948 563297511 /nfs/dbraw/zinc/29/75/11/563297511.db2.gz NEHGRIDYBUMKKW-HIFRSBDPSA-N 1 0 399.285 2.704 20 0 GFADRO Cc1ccc(C[NH2+][C@H](C)CC(=O)Nc2ccc(Br)cc2)c(=O)n1C ZINC000279634768 563304109 /nfs/dbraw/zinc/30/41/09/563304109.db2.gz ZPOWSSIPDGXNOZ-GFCCVEGCSA-N 1 0 392.297 2.963 20 0 GFADRO CC[NH+](CC)C[C@H]1CCN(S(=O)(=O)c2ccc(OC(F)F)c(F)c2)C1 ZINC000279650789 563304867 /nfs/dbraw/zinc/30/48/67/563304867.db2.gz BQUNLQLIROKINF-GFCCVEGCSA-N 1 0 380.432 2.780 20 0 GFADRO Cc1c(Br)cccc1NC(=O)C(=O)NC1CCC([NH+](C)C)CC1 ZINC000421288159 563305083 /nfs/dbraw/zinc/30/50/83/563305083.db2.gz LEYOFCOCWVLUED-UHFFFAOYSA-N 1 0 382.302 2.685 20 0 GFADRO Cc1cc(NC(=O)C(=O)NC2CCC([NH+](C)C)CC2)cc(C)c1Br ZINC000421287440 563305247 /nfs/dbraw/zinc/30/52/47/563305247.db2.gz ILNDRFZHMHDHFA-UHFFFAOYSA-N 1 0 396.329 2.993 20 0 GFADRO CCc1n[nH]c(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)c1Br ZINC000279673045 563305576 /nfs/dbraw/zinc/30/55/76/563305576.db2.gz GSXZRKYUWUNRQE-UHFFFAOYSA-N 1 0 392.301 2.776 20 0 GFADRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)Nc1cc(Cl)cc(C(F)(F)F)c1 ZINC000421295404 563305699 /nfs/dbraw/zinc/30/56/99/563305699.db2.gz IKZUXPBNMYRREG-ZDUSSCGKSA-N 1 0 377.794 2.850 20 0 GFADRO Cc1nc2cc(Cl)c(NC(=O)C(=O)N(C)C[C@H]3CCC[N@@H+]3C)cc2s1 ZINC000421297228 563306086 /nfs/dbraw/zinc/30/60/86/563306086.db2.gz LBBLPBIHLFNONS-LLVKDONJSA-N 1 0 380.901 2.749 20 0 GFADRO COc1cc(C[NH2+]CC2(CC(N)=O)CC2)cc(Br)c1OC(F)F ZINC000421352034 563308801 /nfs/dbraw/zinc/30/88/01/563308801.db2.gz PLTKSUVMAYXDSC-UHFFFAOYSA-N 1 0 393.228 2.804 20 0 GFADRO C[C@H](COc1ccc(Cl)c(Cl)c1)[NH2+]CC1(OCCO)CCOCC1 ZINC000296966774 563310064 /nfs/dbraw/zinc/31/00/64/563310064.db2.gz URCDWYVCTKZTAK-CYBMUJFWSA-N 1 0 378.296 2.908 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+]CC1(S(C)(=O)=O)CC1 ZINC000279814321 563311439 /nfs/dbraw/zinc/31/14/39/563311439.db2.gz OXAZEEOLVXYNJN-UHFFFAOYSA-N 1 0 398.326 2.610 20 0 GFADRO C[C@H](CO)[N@@H+]1CCCN(Cc2cc(Br)cc3cccnc32)CC1 ZINC000372735753 563315155 /nfs/dbraw/zinc/31/51/55/563315155.db2.gz GQBOMKCYBGOUOD-CQSZACIVSA-N 1 0 378.314 2.886 20 0 GFADRO CC[C@@H]1C[C@H]([NH2+][C@H](C)c2ccc(Br)c(S(N)(=O)=O)c2)CCO1 ZINC000421861040 563323396 /nfs/dbraw/zinc/32/33/96/563323396.db2.gz SWVJJDIEZYCKGL-RAIGVLPGSA-N 1 0 391.331 2.705 20 0 GFADRO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1nc2cc(Br)ccn2n1 ZINC000297344333 563324181 /nfs/dbraw/zinc/32/41/81/563324181.db2.gz OVBJNHZREULRDM-OLZOCXBDSA-N 1 0 393.289 2.582 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+]C[C@H](CO)[C@@H]1CCOC1 ZINC000280174820 563325897 /nfs/dbraw/zinc/32/58/97/563325897.db2.gz BULHTWUPIWISIZ-GDBMZVCRSA-N 1 0 394.313 2.678 20 0 GFADRO CC[NH+]1CCC(NC(=O)Nc2ccnn2-c2ccc(Br)cn2)CC1 ZINC000280408931 563336071 /nfs/dbraw/zinc/33/60/71/563336071.db2.gz HCNAZMWOCJWCBF-UHFFFAOYSA-N 1 0 393.289 2.636 20 0 GFADRO C[C@H](CNC(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+]1C)c1c(Cl)cccc1Cl ZINC000422295372 563336491 /nfs/dbraw/zinc/33/64/91/563336491.db2.gz NMGAHIFRDFHQAF-OLZOCXBDSA-N 1 0 386.323 2.766 20 0 GFADRO C[C@@H](Cc1ccccc1C(F)(F)F)[NH2+]CC1CCN(S(C)(=O)=O)CC1 ZINC000280445784 563337879 /nfs/dbraw/zinc/33/78/79/563337879.db2.gz DBLQZFYYKKSKRW-ZDUSSCGKSA-N 1 0 378.460 2.898 20 0 GFADRO O=C(c1csc(C(F)(F)F)n1)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000373466676 563339405 /nfs/dbraw/zinc/33/94/05/563339405.db2.gz OZICESWRCVSWLV-UHFFFAOYSA-N 1 0 377.432 2.736 20 0 GFADRO C[C@H](c1ccc(Br)cc1)N1CCN(CC[N@@H+]2CCCOCC2)CC1 ZINC000373567477 563342349 /nfs/dbraw/zinc/34/23/49/563342349.db2.gz IVHHRXQHWFYBFI-QGZVFWFLSA-N 1 0 396.373 2.850 20 0 GFADRO CCOC(=O)c1cc(Cl)cc(S(=O)(=O)N2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)c1 ZINC000422551377 563342915 /nfs/dbraw/zinc/34/29/15/563342915.db2.gz DPJPCDMBHYOOJE-OBJOEFQTSA-N 1 0 388.917 2.511 20 0 GFADRO CCNC(=O)C1(C[NH2+]Cc2cc(Br)c(O)c(OCC)c2)CCC1 ZINC000298067141 563343601 /nfs/dbraw/zinc/34/36/01/563343601.db2.gz KPSAMDPNDJLWBY-UHFFFAOYSA-N 1 0 385.302 2.949 20 0 GFADRO C[NH+](C)CCCN(C(=O)c1ccc(Cl)cc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000298080531 563344130 /nfs/dbraw/zinc/34/41/30/563344130.db2.gz GHAMJMYWORXYHW-CYBMUJFWSA-N 1 0 393.336 2.574 20 0 GFADRO C[C@@H]1C[C@@H](C)N(CC(=O)Nc2c(F)cc(F)cc2Br)C[C@@H]1C[NH3+] ZINC000422639410 563345203 /nfs/dbraw/zinc/34/52/03/563345203.db2.gz SSGRSWAITMPAPN-MXWKQRLJSA-N 1 0 390.272 2.971 20 0 GFADRO COc1ccc(Br)c(CC(=O)N2c3ccccc3C[C@@H]2C[NH3+])c1 ZINC000422624927 563345335 /nfs/dbraw/zinc/34/53/35/563345335.db2.gz FCVMOKCSUMVAIS-CQSZACIVSA-N 1 0 375.266 2.917 20 0 GFADRO CCS(=O)(=O)CCCCC[NH+]1CCC(C(=O)Nc2nc(C)cs2)CC1 ZINC000373696001 563347200 /nfs/dbraw/zinc/34/72/00/563347200.db2.gz KIMHFJKRHQCJMO-UHFFFAOYSA-N 1 0 387.571 2.707 20 0 GFADRO CC[C@@H](C)[NH+]1CCN(C(=O)NCCCCn2cc(Br)cn2)CC1 ZINC000298279725 563349857 /nfs/dbraw/zinc/34/98/57/563349857.db2.gz MODDQZDKARSHHM-CQSZACIVSA-N 1 0 386.338 2.552 20 0 GFADRO C[C@H]([NH2+]CCCNC(=O)c1ccc(Br)cc1)c1cnccc1N ZINC000422879195 563350112 /nfs/dbraw/zinc/35/01/12/563350112.db2.gz LQZMHGYIBLWDRI-LBPRGKRZSA-N 1 0 377.286 2.727 20 0 GFADRO CC(C)[C@@H](C(=O)NCc1nnc2c(Cl)cc(C(F)(F)F)cn12)[C@@H](C)[NH3+] ZINC000422933890 563350848 /nfs/dbraw/zinc/35/08/48/563350848.db2.gz ISHUQJXEJOOYLW-PRHODGIISA-N 1 0 377.798 2.637 20 0 GFADRO C[C@H](NCCC(=O)N(C)Cc1ccccc1Br)[C@@H]1CCCC[NH2+]1 ZINC000422907475 563350914 /nfs/dbraw/zinc/35/09/14/563350914.db2.gz LHOLEKLGMHEAKB-YOEHRIQHSA-N 1 0 382.346 2.918 20 0 GFADRO O=S1(=O)CC[C@H]([NH2+]C2CCN(c3ccnc4cc(Cl)ccc43)CC2)C1 ZINC000373796381 563351271 /nfs/dbraw/zinc/35/12/71/563351271.db2.gz UJCCGVSPMSQDPG-HNNXBMFYSA-N 1 0 379.913 2.634 20 0 GFADRO C[NH+](C)[C@H](CNc1ccc(S(=O)(=O)N2CCCC2)cn1)c1ccsc1 ZINC000298304137 563351332 /nfs/dbraw/zinc/35/13/32/563351332.db2.gz LRPFRRNNQMPUHI-MRXNPFEDSA-N 1 0 380.539 2.642 20 0 GFADRO Cc1csc(C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)c1Br ZINC000373801854 563351843 /nfs/dbraw/zinc/35/18/43/563351843.db2.gz UNCFOSXNBBOWOZ-ZDUSSCGKSA-N 1 0 386.359 2.671 20 0 GFADRO C[C@@H]([NH2+]C[C@@H]1CCO[C@H](C)C1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000280736836 563352045 /nfs/dbraw/zinc/35/20/45/563352045.db2.gz ORZUMINZGBQRCZ-IJLUTSLNSA-N 1 0 391.331 2.562 20 0 GFADRO CCOC(=O)[C@H]1NCC[C@@H]1[NH2+]CCc1cc(Cl)ccc1Br ZINC000423002137 563352452 /nfs/dbraw/zinc/35/24/52/563352452.db2.gz YKGRXWVQVOKAEL-KBPBESRZSA-N 1 0 375.694 2.528 20 0 GFADRO C[C@H](NCc1ccc(Br)cc1N1CCOCC1)[C@@H]1CCCC[NH2+]1 ZINC000422994023 563352526 /nfs/dbraw/zinc/35/25/26/563352526.db2.gz UOCVBPVLOSULLY-YOEHRIQHSA-N 1 0 382.346 2.906 20 0 GFADRO O=S(=O)(c1c(Cl)cc(F)cc1Br)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000373886470 563354238 /nfs/dbraw/zinc/35/42/38/563354238.db2.gz SYSNQPXOFZZUEC-PELKAZGASA-N 1 0 397.697 2.614 20 0 GFADRO CC(C)[C@@H](C(=O)Nc1ncn(Cc2cccc(Br)c2)n1)[C@H](C)[NH3+] ZINC000423106732 563355486 /nfs/dbraw/zinc/35/54/86/563355486.db2.gz OYAGRNPIBDIALU-SMDDNHRTSA-N 1 0 380.290 2.647 20 0 GFADRO CC[NH+]1CCC(NC(=O)N(C)C[C@@H](O)c2cccc(Br)c2)CC1 ZINC000298445547 563355589 /nfs/dbraw/zinc/35/55/89/563355589.db2.gz XTGKYJFZCYAOSO-MRXNPFEDSA-N 1 0 384.318 2.608 20 0 GFADRO CC(C)[C@@H](C(=O)Nc1ncn(Cc2cccc(Br)c2)n1)[C@@H](C)[NH3+] ZINC000423106729 563355657 /nfs/dbraw/zinc/35/56/57/563355657.db2.gz OYAGRNPIBDIALU-BXUZGUMPSA-N 1 0 380.290 2.647 20 0 GFADRO COc1ccc([C@@H](NCCn2cc(Br)cn2)[C@@H]2CCC[NH2+]2)cc1 ZINC000423104162 563355691 /nfs/dbraw/zinc/35/56/91/563355691.db2.gz GUKOXDWELPELSX-DLBZAZTESA-N 1 0 379.302 2.737 20 0 GFADRO C[C@H](C[C@H]1COCCN1)[NH2+]Cc1ccc(I)c(Cl)c1 ZINC000423117694 563355993 /nfs/dbraw/zinc/35/59/93/563355993.db2.gz WTHHOQWCHVZGDI-PWSUYJOCSA-N 1 0 394.684 2.801 20 0 GFADRO C[NH2+]C[C@H]1CCCN(C(=O)C(=O)N(C)[C@H](C)c2ccc(Cl)c(Cl)c2)C1 ZINC000423116980 563356339 /nfs/dbraw/zinc/35/63/39/563356339.db2.gz SHXQKYOUBQBFCM-CHWSQXEVSA-N 1 0 386.323 2.971 20 0 GFADRO CCOC(=O)[C@@H]1NCC[C@H]1[NH2+][C@@H](CCOC)c1ccc(Cl)c(Cl)c1 ZINC000423111109 563356391 /nfs/dbraw/zinc/35/63/91/563356391.db2.gz VVEOEKLFIAXAEM-ARFHVFGLSA-N 1 0 375.296 2.954 20 0 GFADRO COC(=O)C1CC[NH+](CCCNC(=O)Cc2ccc(Cl)cc2Cl)CC1 ZINC000298476970 563356546 /nfs/dbraw/zinc/35/65/46/563356546.db2.gz AUKDLFWOXPPYQT-UHFFFAOYSA-N 1 0 387.307 2.927 20 0 GFADRO Cc1cn2c(n1)CC[C@@H](NC(=O)c1cccc(C)c1I)C2 ZINC000373992086 563357490 /nfs/dbraw/zinc/35/74/90/563357490.db2.gz JHRHGYRGMZACJM-GFCCVEGCSA-N 1 0 395.244 2.849 20 0 GFADRO C[C@H]1CN(C(=O)C(=O)N(Cc2ccc(Cl)c(Cl)c2)C2CC2)CC[C@H]1[NH3+] ZINC000423171063 563357883 /nfs/dbraw/zinc/35/78/83/563357883.db2.gz NILUMISTBBPBNH-MEDUHNTESA-N 1 0 384.307 2.680 20 0 GFADRO O=C(C[NH+]1CCC(n2cc(Br)cn2)CC1)N1CCc2ccccc21 ZINC000374010261 563358175 /nfs/dbraw/zinc/35/81/75/563358175.db2.gz NJDLSQLUHHUVJG-UHFFFAOYSA-N 1 0 389.297 2.872 20 0 GFADRO C[C@H](NCC1([NH3+])CCCCC1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000423174838 563358614 /nfs/dbraw/zinc/35/86/14/563358614.db2.gz CFDRPAIVAZNZKT-JTQLQIEISA-N 1 0 380.341 2.953 20 0 GFADRO C[C@@H](CNC(=O)COC1CC[NH2+]CC1)Sc1ccc(Br)cc1 ZINC000423179541 563358693 /nfs/dbraw/zinc/35/86/93/563358693.db2.gz HJUCZFSNNMPUSB-LBPRGKRZSA-N 1 0 387.343 2.815 20 0 GFADRO CCn1ccnc1[C@@H](N[C@H]1CC[NH2+]C1)c1ccc(I)cc1 ZINC000423219076 563358723 /nfs/dbraw/zinc/35/87/23/563358723.db2.gz VUOHBQFTMYWLOZ-GJZGRUSLSA-N 1 0 396.276 2.549 20 0 GFADRO C[C@H](NC(=O)N(C)C[C@H](O)c1cccc(Br)c1)C1=CC[N@H+](C)CC1 ZINC000298531253 563358828 /nfs/dbraw/zinc/35/88/28/563358828.db2.gz CKQHAXBBGLSNAQ-GUYCJALGSA-N 1 0 396.329 2.774 20 0 GFADRO C[C@H]([NH3+])c1ccc(C(=O)NC[C@@H](O)COc2ccccc2Br)cc1 ZINC000423238731 563359260 /nfs/dbraw/zinc/35/92/60/563359260.db2.gz ATWNNYJBADRURO-SWLSCSKDSA-N 1 0 393.281 2.639 20 0 GFADRO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)CN1CCCC[C@H](CO)C1 ZINC000374039229 563359323 /nfs/dbraw/zinc/35/93/23/563359323.db2.gz PSMAYCGDRWFHIO-NSHDSACASA-N 1 0 389.279 2.813 20 0 GFADRO CC[C@@H](NC[C@@H]([NH3+])c1ccccc1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000423246780 563359463 /nfs/dbraw/zinc/35/94/63/563359463.db2.gz PZOGBLNUOOEONI-IAGOWNOFSA-N 1 0 381.929 2.989 20 0 GFADRO [NH3+][C@@H](CN[C@@H]1CCS(=O)(=O)c2ccc(Br)cc21)c1ccccc1 ZINC000423249074 563359584 /nfs/dbraw/zinc/35/95/84/563359584.db2.gz SOYMKLHLKNMRAP-JKSUJKDBSA-N 1 0 395.322 2.957 20 0 GFADRO C[C@@H](NC[C@@]1(C)CCC[NH2+]C1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000423351818 563360676 /nfs/dbraw/zinc/36/06/76/563360676.db2.gz ZRJXXYWGHLRAOU-BMIGLBTASA-N 1 0 380.341 2.681 20 0 GFADRO O=C(CC[N@@H+]1CCS[C@@H]2COCC[C@H]21)Nc1ccccc1Br ZINC000298596725 563361233 /nfs/dbraw/zinc/36/12/33/563361233.db2.gz KWFSZYKFZXQFGA-HUUCEWRRSA-N 1 0 385.327 2.984 20 0 GFADRO Brc1cccc([C@@H](NC[C@H]2C[NH2+]CCCO2)C2CCOCC2)c1 ZINC000423489201 563361237 /nfs/dbraw/zinc/36/12/37/563361237.db2.gz FOQRAWICUCPNNE-MSOLQXFVSA-N 1 0 383.330 2.885 20 0 GFADRO C[NH+]1CCC2(CCCN(C(=O)c3cncc(I)c3)C2)CC1 ZINC000374100314 563361744 /nfs/dbraw/zinc/36/17/44/563361744.db2.gz SITWJKJWXJXMHU-UHFFFAOYSA-N 1 0 399.276 2.634 20 0 GFADRO CN1CC[NH2+]C[C@H]1CN[C@H](c1ccc(Br)o1)c1ccc(F)cc1 ZINC000423521482 563361940 /nfs/dbraw/zinc/36/19/40/563361940.db2.gz QTUVMYWDRPKVIX-YOEHRIQHSA-N 1 0 382.277 2.764 20 0 GFADRO NS(=O)(=O)CCC[NH+]1CCC(F)(c2cccc(OC(F)(F)F)c2)CC1 ZINC000374131291 563362608 /nfs/dbraw/zinc/36/26/08/563362608.db2.gz UOXKRXMRRSEKER-UHFFFAOYSA-N 1 0 384.395 2.524 20 0 GFADRO CCCN(C(=O)C(=O)N(C)Cc1ccc(Cl)c(Cl)c1)C1CC[NH2+]CC1 ZINC000423688602 563362685 /nfs/dbraw/zinc/36/26/85/563362685.db2.gz BHRZBJVVUCVGBD-UHFFFAOYSA-N 1 0 386.323 2.942 20 0 GFADRO CC[NH+](CC)[C@H](CNC(=O)C(=O)Nc1sccc1C#N)c1ccsc1 ZINC000298664545 563363441 /nfs/dbraw/zinc/36/34/41/563363441.db2.gz CESVLHHWGQJEBM-CQSZACIVSA-N 1 0 376.507 2.819 20 0 GFADRO CC(C)[C@H]([NH2+][C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1)C(C)(C)O ZINC000281049241 563364288 /nfs/dbraw/zinc/36/42/88/563364288.db2.gz HTWUUFZYBCFHGE-HZMBPMFUSA-N 1 0 393.347 2.543 20 0 GFADRO CN(C(=O)CCc1nc(-c2cc(Br)cs2)no1)[C@H](C[NH3+])C1CC1 ZINC000423945865 563364891 /nfs/dbraw/zinc/36/48/91/563364891.db2.gz IZKAFRJYTKFJCI-LLVKDONJSA-N 1 0 399.314 2.689 20 0 GFADRO Cc1nc(C(=O)N2C[C@@H](C)[C@](C)(C[NH3+])C2)nn1-c1c(Cl)cccc1Cl ZINC000423979209 563366457 /nfs/dbraw/zinc/36/64/57/563366457.db2.gz AYANVYPNBBYOPO-BMLIUANNSA-N 1 0 382.295 2.939 20 0 GFADRO CN(C[C@@H](O)c1cccc(Br)c1)C(=O)NCCC1CC[NH+](C)CC1 ZINC000298792711 563366989 /nfs/dbraw/zinc/36/69/89/563366989.db2.gz DZAYNRJFXWOXEY-QGZVFWFLSA-N 1 0 398.345 2.856 20 0 GFADRO C[C@@H]1CCN(C(=O)CNC(=O)c2sc3ccccc3c2Cl)C[C@H]1C[NH3+] ZINC000424000700 563367251 /nfs/dbraw/zinc/36/72/51/563367251.db2.gz OMEUNSUNZHEYDX-VXGBXAGGSA-N 1 0 379.913 2.728 20 0 GFADRO C[C@@H]1CCN(C(=O)[C@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)C[C@H]1C[NH3+] ZINC000424017078 563367255 /nfs/dbraw/zinc/36/72/55/563367255.db2.gz OPMXDSAHCZRECA-YRGRVCCFSA-N 1 0 384.307 2.790 20 0 GFADRO C[NH+]1CCC2(CCCN2S(=O)(=O)c2ccc(Br)s2)CC1 ZINC000374294467 563367506 /nfs/dbraw/zinc/36/75/06/563367506.db2.gz KEOHYLDVVLMMMW-UHFFFAOYSA-N 1 0 379.345 2.760 20 0 GFADRO [NH3+][C@@H]1CN(C(=O)c2[nH]nc(C3CC3)c2Br)C[C@H]1c1ccccc1F ZINC000424040398 563367731 /nfs/dbraw/zinc/36/77/31/563367731.db2.gz QJXPWWFZVKXUFW-WCQYABFASA-N 1 0 393.260 2.756 20 0 GFADRO O=S(=O)(C[C@H](O)C[NH2+][C@@H]1CCC[C@@H](c2cccnc2)C1)c1cccs1 ZINC000374320414 563367932 /nfs/dbraw/zinc/36/79/32/563367932.db2.gz IUPNLNBMVULMPA-DJIMGWMZSA-N 1 0 380.535 2.594 20 0 GFADRO C[S@@](=O)C[C@H]([NH2+]CCC(=O)N1CCc2sccc2C1)c1ccccc1 ZINC000298831369 563368023 /nfs/dbraw/zinc/36/80/23/563368023.db2.gz HDTNCDGBLDEHCU-SSOJOUAXSA-N 1 0 376.547 2.732 20 0 GFADRO O=S(=O)(C[C@H](O)C[NH2+][C@@H]1CCC[C@H](c2cccnc2)C1)c1cccs1 ZINC000374320416 563367964 /nfs/dbraw/zinc/36/79/64/563367964.db2.gz IUPNLNBMVULMPA-USXIJHARSA-N 1 0 380.535 2.594 20 0 GFADRO O=C(N1CCC2(CC[NH2+]2)CC1)C1(c2ccc(Br)cc2)CCOCC1 ZINC000424053653 563368621 /nfs/dbraw/zinc/36/86/21/563368621.db2.gz PAOUMFZGMOMZBQ-UHFFFAOYSA-N 1 0 393.325 2.852 20 0 GFADRO COCC[C@@H](Cc1cccc(Br)c1)C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000424055689 563368771 /nfs/dbraw/zinc/36/87/71/563368771.db2.gz RJKBZCWPFSZOSP-INIZCTEOSA-N 1 0 395.341 2.999 20 0 GFADRO C[C@@H]1C[C@@H](C)N(C(=O)c2ccc(I)c(F)c2)C[C@@H]1C[NH3+] ZINC000424075816 563369369 /nfs/dbraw/zinc/36/93/69/563369369.db2.gz PTYNRBKVXZLIDM-FOGDFJRCSA-N 1 0 390.240 2.876 20 0 GFADRO COc1ccc(Br)cc1CC(=O)N1C[C@H]([NH3+])Cc2ccccc21 ZINC000424072451 563369437 /nfs/dbraw/zinc/36/94/37/563369437.db2.gz GKVUIPJYMSXKSF-OAHLLOKOSA-N 1 0 375.266 2.917 20 0 GFADRO CNC(=O)[C@]1(C)CC[N@H+](Cc2ccnc(-c3ccc(Br)cc3)n2)C1 ZINC000281217532 563369956 /nfs/dbraw/zinc/36/99/56/563369956.db2.gz STTLWVSYHGUESI-GOSISDBHSA-N 1 0 389.297 2.864 20 0 GFADRO [NH3+]C1C[C@H]2CCC[C@@H](C1)N2S(=O)(=O)c1cc(Br)ccc1F ZINC000374388867 563370598 /nfs/dbraw/zinc/37/05/98/563370598.db2.gz DSGFEQACCXJJGJ-YOGCLGLASA-N 1 0 377.279 2.621 20 0 GFADRO O=C(c1cc(Br)c2c(c1)OCCO2)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000374404625 563371396 /nfs/dbraw/zinc/37/13/96/563371396.db2.gz XFDYXCXANRVKBV-OAHLLOKOSA-N 1 0 395.297 2.825 20 0 GFADRO CCN(CC)S(=O)(=O)c1ccc(CC[NH2+]Cc2cncn2C(C)C)s1 ZINC000424154315 563371708 /nfs/dbraw/zinc/37/17/08/563371708.db2.gz LJTLHTRSXXTEDS-UHFFFAOYSA-N 1 0 384.571 2.888 20 0 GFADRO O=C(Nc1ccccc1Br)C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000299027375 563373102 /nfs/dbraw/zinc/37/31/02/563373102.db2.gz XLILXYHRBROJKW-UHFFFAOYSA-N 1 0 394.313 2.865 20 0 GFADRO Cc1cc(C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)cc(Cl)c1Br ZINC000424228806 563374776 /nfs/dbraw/zinc/37/47/76/563374776.db2.gz VBYROEMXBAYBHG-GXTWGEPZSA-N 1 0 397.704 2.711 20 0 GFADRO COc1ccc([C@H](C)[NH2+]C[C@@H]2CCCCN2S(=O)(=O)N(C)C)c(Cl)c1 ZINC000424344262 563376109 /nfs/dbraw/zinc/37/61/09/563376109.db2.gz GOYMAQGASXKYGQ-KBPBESRZSA-N 1 0 389.949 2.660 20 0 GFADRO C[C@@H]1CC2(CN1S(=O)(=O)Cc1cccc(C(F)(F)F)c1)CC[NH2+]CC2 ZINC000424386178 563377516 /nfs/dbraw/zinc/37/75/16/563377516.db2.gz DLXBUZWREVWEPY-CYBMUJFWSA-N 1 0 376.444 2.999 20 0 GFADRO Cc1cc(Br)ccc1S(=O)(=O)N1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424390008 563378237 /nfs/dbraw/zinc/37/82/37/563378237.db2.gz IZSYGYFBCKQMLM-ZDUSSCGKSA-N 1 0 387.343 2.910 20 0 GFADRO Cc1cc(C[NH3+])cc(NC(=O)C(=O)N(C)Cc2ccc(Br)s2)c1 ZINC000424444066 563379519 /nfs/dbraw/zinc/37/95/19/563379519.db2.gz ZAIOLJWVDBNBRT-UHFFFAOYSA-N 1 0 396.310 2.875 20 0 GFADRO Cc1sc(C(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)cc1Br ZINC000424557363 563381486 /nfs/dbraw/zinc/38/14/86/563381486.db2.gz IFIOUCGEQPLZIQ-GFCCVEGCSA-N 1 0 375.332 2.906 20 0 GFADRO COc1cc(Br)c(CN2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)cc1O ZINC000374890801 563384983 /nfs/dbraw/zinc/38/49/83/563384983.db2.gz FAFSOAWQTCVQDJ-YSVLISHTSA-N 1 0 399.329 2.847 20 0 GFADRO O=C1[C@@H]([NH2+]Cc2cnc3cnccn23)CCN1c1ccc(Cl)c(Cl)c1 ZINC000374901843 563385398 /nfs/dbraw/zinc/38/53/98/563385398.db2.gz XIYCWPNJMVOIHJ-HNNXBMFYSA-N 1 0 376.247 2.931 20 0 GFADRO Cc1oc(Br)cc1C(=O)Nc1cc(C(N)=O)ccc1C[NH+](C)C ZINC000424686814 563387102 /nfs/dbraw/zinc/38/71/02/563387102.db2.gz UZYWEQSYPDKPSJ-UHFFFAOYSA-N 1 0 380.242 2.763 20 0 GFADRO COc1c(Br)ccc(C)c1C(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000424698603 563388009 /nfs/dbraw/zinc/38/80/09/563388009.db2.gz FOGNZFSNOZNNEM-UHFFFAOYSA-N 1 0 398.345 2.522 20 0 GFADRO C[N@@H+]1CC[C@H]2CCN(Cc3noc(Cc4ccc(Br)cc4)n3)C[C@@H]21 ZINC000375028105 563388298 /nfs/dbraw/zinc/38/82/98/563388298.db2.gz BROAIPXJLXZTQL-HOCLYGCPSA-N 1 0 391.313 2.949 20 0 GFADRO CC[C@@H]1C[N@H+](C)CCCN1C(=O)c1csc(I)c1 ZINC000300556112 563391391 /nfs/dbraw/zinc/39/13/91/563391391.db2.gz YQAWNEVOUWYPSQ-LLVKDONJSA-N 1 0 378.279 2.909 20 0 GFADRO C[NH+]1CCN(Cc2ccc(NC(=O)[C@]3(C)C[C@H]3F)cc2Br)CC1 ZINC000424796298 563391972 /nfs/dbraw/zinc/39/19/72/563391972.db2.gz QHASNACPTPMTLJ-NVXWUHKLSA-N 1 0 384.293 2.883 20 0 GFADRO Brc1ccc2ncnc(N3CC[NH+](C[C@H]4CCOC4)CC3)c2c1 ZINC000301059849 563392269 /nfs/dbraw/zinc/39/22/69/563392269.db2.gz BHLGTOZLAUPQNJ-CYBMUJFWSA-N 1 0 377.286 2.551 20 0 GFADRO COc1c(Br)ccc(C)c1C(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000424809975 563392692 /nfs/dbraw/zinc/39/26/92/563392692.db2.gz VVWBFBLBXDHEFK-CYBMUJFWSA-N 1 0 399.329 2.683 20 0 GFADRO C[C@]12CCN(C(=O)NC[C@@H]3CCC[C@H]3[NH+]3CCOCC3)C[C@H]1C2(Cl)Cl ZINC000375164364 563393001 /nfs/dbraw/zinc/39/30/01/563393001.db2.gz FMRKAPGKAMUTCS-HWMZRRJGSA-N 1 0 390.355 2.713 20 0 GFADRO COc1cc(S(=O)(=O)N2CCC[C@H]2c2ncc[nH]2)ccc1Br ZINC000375198473 563394591 /nfs/dbraw/zinc/39/45/91/563394591.db2.gz WUXNLTJSXIXYTQ-LBPRGKRZSA-N 1 0 386.271 2.707 20 0 GFADRO NS(=O)(=O)c1cccnc1NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000301250146 563397643 /nfs/dbraw/zinc/39/76/43/563397643.db2.gz IWYFJQZZWBPYIH-HNNXBMFYSA-N 1 0 380.901 2.631 20 0 GFADRO Cc1ccccc1C[NH+]1CCC(Nc2cnn(C)c(=O)c2Br)CC1 ZINC000301264872 563398596 /nfs/dbraw/zinc/39/85/96/563398596.db2.gz WDKVANVPJKKQJD-UHFFFAOYSA-N 1 0 391.313 2.928 20 0 GFADRO CC[NH+]1CCN(c2cc(C(=O)OC)nc3ccc(Br)cc32)CC1 ZINC000301378477 563402110 /nfs/dbraw/zinc/40/21/10/563402110.db2.gz XMULTXCNQLPUTH-UHFFFAOYSA-N 1 0 378.270 2.926 20 0 GFADRO Brc1ccc2ncnc(N3CC[C@H](C[NH+]4CCOCC4)C3)c2c1 ZINC000301427261 563402952 /nfs/dbraw/zinc/40/29/52/563402952.db2.gz DXYYLDQKNIQBOY-CYBMUJFWSA-N 1 0 377.286 2.551 20 0 GFADRO CC1CC[NH+]([C@H](CNC(=O)NCC2([S@](C)=O)CC2)c2cccs2)CC1 ZINC000282247201 563403576 /nfs/dbraw/zinc/40/35/76/563403576.db2.gz GKXSNUDPJXAUFG-BZQUYTCOSA-N 1 0 383.583 2.731 20 0 GFADRO CN(CC[NH+](C)C)c1ccc(Br)cc1NC(=O)[C@H]1CCCOC1 ZINC000425100199 563404252 /nfs/dbraw/zinc/40/42/52/563404252.db2.gz SPMKGALMXCZRDW-ZDUSSCGKSA-N 1 0 384.318 2.812 20 0 GFADRO Cc1c([C@@H](C)[NH2+]CC2([S@](C)=O)CC2)nnn1-c1cccc(Br)c1 ZINC000282325052 563407071 /nfs/dbraw/zinc/40/70/71/563407071.db2.gz NTVBZUBRDYFWGK-BGJPBQGDSA-N 1 0 397.342 2.900 20 0 GFADRO CC(C)OCC[NH+]1CCC(NS(=O)(=O)CCc2ccc(Cl)cc2)CC1 ZINC000425169137 563407618 /nfs/dbraw/zinc/40/76/18/563407618.db2.gz NMBRQEUJSBRHCN-UHFFFAOYSA-N 1 0 388.961 2.691 20 0 GFADRO C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+]CC1([S@](C)=O)CC1 ZINC000282345303 563407980 /nfs/dbraw/zinc/40/79/80/563407980.db2.gz OZSZIUPTLQUCBR-NDHGSNPTSA-N 1 0 378.416 2.803 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCC(=O)N[C@H]1c1cncn1C)c1ccc(F)c(Br)c1 ZINC000375512389 563407969 /nfs/dbraw/zinc/40/79/69/563407969.db2.gz NFLACQOGXCYGMQ-NCAQKEMTSA-N 1 0 395.276 2.992 20 0 GFADRO C[C@@H](CNC(=O)OC(C)(C)C)CNc1ncnc2c1c(Br)nn2C ZINC000301761676 563411880 /nfs/dbraw/zinc/41/18/80/563411880.db2.gz BQXQIKWXDPNPMJ-SECBINFHSA-N 1 0 399.293 2.699 20 0 GFADRO C[N@@H+]1C[C@@H]2CCCN(S(=O)(=O)c3cc(Cl)ccc3OC(F)F)[C@@H]2C1 ZINC000425216589 563412207 /nfs/dbraw/zinc/41/22/07/563412207.db2.gz RUJLNSUKKGBFBW-CMPLNLGQSA-N 1 0 380.844 2.656 20 0 GFADRO COCCNS(=O)(=O)c1cccc(C[NH2+]C2CCC(C(F)F)CC2)c1 ZINC000282471445 563412668 /nfs/dbraw/zinc/41/26/68/563412668.db2.gz WHKWPULIXWNRSG-UHFFFAOYSA-N 1 0 376.469 2.525 20 0 GFADRO CNC(=O)N[C@@H]1CCN(c2cc[nH+]c3cc(OC)c(Br)cc32)C1 ZINC000425243522 563413957 /nfs/dbraw/zinc/41/39/57/563413957.db2.gz QPDNCLBRSUBNNX-SNVBAGLBSA-N 1 0 379.258 2.514 20 0 GFADRO O=C(CCCS(=O)(=O)c1ccc(Cl)cc1)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000375714169 563415124 /nfs/dbraw/zinc/41/51/24/563415124.db2.gz KAOGETSFWLPWQX-INIZCTEOSA-N 1 0 384.929 2.591 20 0 GFADRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2cc(Br)cc3nc[nH]c32)C1 ZINC000282584614 563416581 /nfs/dbraw/zinc/41/65/81/563416581.db2.gz VBRUGACPTBMNRC-NHYWBVRUSA-N 1 0 377.286 2.882 20 0 GFADRO C[C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000375795735 563418324 /nfs/dbraw/zinc/41/83/24/563418324.db2.gz RGNSXFKSZYUGNM-CSMYWGQOSA-N 1 0 386.323 2.851 20 0 GFADRO Brc1cnc2c(c1)nccc2N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000302103056 563420542 /nfs/dbraw/zinc/42/05/42/563420542.db2.gz MBOUKEJPKRKQGC-CYBMUJFWSA-N 1 0 377.286 2.551 20 0 GFADRO O[C@H](C[NH2+]Cc1cnc(N2CCOCC2)s1)c1cccc(Br)c1 ZINC000282697644 563421284 /nfs/dbraw/zinc/42/12/84/563421284.db2.gz LRVLMBHGQHKMRQ-OAHLLOKOSA-N 1 0 398.326 2.565 20 0 GFADRO C[C@@H]([NH2+][C@@H]1COc2cc(F)c(Br)cc21)C1CCS(=O)(=O)CC1 ZINC000282754099 563423411 /nfs/dbraw/zinc/42/34/11/563423411.db2.gz OGYYRTGQLBQGEI-YMTOWFKASA-N 1 0 392.290 2.825 20 0 GFADRO Cc1cc(N2CCN(S(=O)(=O)c3cccc(Br)c3)CC2)cc[nH+]1 ZINC000302261121 563424677 /nfs/dbraw/zinc/42/46/77/563424677.db2.gz DKLNJYXYNUAQSE-UHFFFAOYSA-N 1 0 396.310 2.663 20 0 GFADRO COC(=O)[C@@H]1C[N@H+](C[C@H](O)C(F)(F)F)C[C@H]1c1ccc(Br)cc1 ZINC000425507954 563425877 /nfs/dbraw/zinc/42/58/77/563425877.db2.gz HCNPBGGDVLLQNX-XQQFMLRXSA-N 1 0 396.203 2.561 20 0 GFADRO COCC(C)(C)[NH+]1CCN(C(=O)N[C@H](C)c2ccc(Br)cn2)CC1 ZINC000425512466 563426447 /nfs/dbraw/zinc/42/64/47/563426447.db2.gz DMUIHJIIQZOZGB-CYBMUJFWSA-N 1 0 399.333 2.657 20 0 GFADRO Cc1cc(NC[C@H](O)COc2ccc(I)cc2)cc[nH+]1 ZINC000302586971 563427000 /nfs/dbraw/zinc/42/70/00/563427000.db2.gz VAIMOQHUMBDGLT-AWEZNQCLSA-N 1 0 384.217 2.846 20 0 GFADRO C[NH+]1CCC([C@H]2CCN(C(=O)N=c3nc(-c4ccsc4)[n-]s3)C2)CC1 ZINC000376086560 563429411 /nfs/dbraw/zinc/42/94/11/563429411.db2.gz ZCNILYYOKASILO-ZDUSSCGKSA-N 1 0 377.539 2.884 20 0 GFADRO Cn1ncc(NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)c(Br)c1=O ZINC000310356909 563434800 /nfs/dbraw/zinc/43/48/00/563434800.db2.gz INMWXRFKBNPZTQ-OAHLLOKOSA-N 1 0 391.313 2.867 20 0 GFADRO C[C@@H](O)C[NH2+]Cc1cc(I)c(Br)cc1F ZINC000309112297 563435221 /nfs/dbraw/zinc/43/52/21/563435221.db2.gz KBQSNGGEGASMSL-ZCFIWIBFSA-N 1 0 388.018 2.663 20 0 GFADRO C[NH+](C)C[C@H]1CCN(C(=O)N[C@@H]2COc3cc(F)c(Br)cc32)C1 ZINC000283170858 563437652 /nfs/dbraw/zinc/43/76/52/563437652.db2.gz NGGBULBEZJLGHD-QMTHXVAHSA-N 1 0 386.265 2.615 20 0 GFADRO CCN1CC[C@@H](NS(=O)(=O)CCCCF)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000376344574 563438578 /nfs/dbraw/zinc/43/85/78/563438578.db2.gz SFBQMADKVFKRQH-GDBMZVCRSA-N 1 0 382.423 2.908 20 0 GFADRO CCN1CC[C@@H](NS(=O)(=O)CCCCF)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000376344577 563438808 /nfs/dbraw/zinc/43/88/08/563438808.db2.gz SFBQMADKVFKRQH-ZBFHGGJFSA-N 1 0 382.423 2.908 20 0 GFADRO O=S(=O)(c1c(Cl)cccc1Br)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000314578600 563439606 /nfs/dbraw/zinc/43/96/06/563439606.db2.gz VPLVTWDFWZVMCM-NSHDSACASA-N 1 0 393.734 2.961 20 0 GFADRO C[NH+]1CCC2(CCCN(CC(=O)Nc3ccc(Br)cn3)C2)CC1 ZINC000376388207 563440351 /nfs/dbraw/zinc/44/03/51/563440351.db2.gz SFQAWQDNAKAEBD-UHFFFAOYSA-N 1 0 381.318 2.590 20 0 GFADRO CCOc1ccc(Br)cc1S(=O)(=O)N1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000316478172 563441441 /nfs/dbraw/zinc/44/14/41/563441441.db2.gz WPQQSOIGKKPSFN-DGCLKSJQSA-N 1 0 391.331 2.738 20 0 GFADRO CC[N@H+](CCNC(=O)N[C@@H]1CCO[C@@]2(CCSC2)C1)CCC(F)(F)F ZINC000425980292 563441640 /nfs/dbraw/zinc/44/16/40/563441640.db2.gz WBLGHAJTLGAFEY-HIFRSBDPSA-N 1 0 383.480 2.615 20 0 GFADRO O=S(=O)(c1ccc(Br)cc1F)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000317323560 563442323 /nfs/dbraw/zinc/44/23/23/563442323.db2.gz JOOSUSNZDXRTOW-SMDDNHRTSA-N 1 0 391.306 2.741 20 0 GFADRO O=C(NCC(F)(F)F)[C@@H]1CC[N@H+](CCOc2ccccc2Br)C1 ZINC000426104482 563443609 /nfs/dbraw/zinc/44/36/09/563443609.db2.gz QRPGTHZXKPPFFK-LLVKDONJSA-N 1 0 395.219 2.828 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NCc2ccc(Cl)cc2Cl)[C@H](C)C1 ZINC000283475815 563446040 /nfs/dbraw/zinc/44/60/40/563446040.db2.gz XKBLRTUSRYDGCK-MLGOLLRUSA-N 1 0 386.323 2.798 20 0 GFADRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)NCc1ccc(Cl)cc1Cl ZINC000283513637 563446518 /nfs/dbraw/zinc/44/65/18/563446518.db2.gz ZYGVCJBRNPRBCZ-LBPRGKRZSA-N 1 0 386.323 2.798 20 0 GFADRO O=c1cc(C[N@@H+](CCO)C2CCCCC2)nc2ccc(Br)cn12 ZINC000320347789 563446555 /nfs/dbraw/zinc/44/65/55/563446555.db2.gz BYQINQOCUWGZIT-UHFFFAOYSA-N 1 0 380.286 2.584 20 0 GFADRO C[NH+](C)C1(CNC(=O)N[C@@H]2CCN(c3cccc(Br)c3)C2)CCC1 ZINC000426235712 563447066 /nfs/dbraw/zinc/44/70/66/563447066.db2.gz DXXGKUPZVMHFAB-OAHLLOKOSA-N 1 0 395.345 2.811 20 0 GFADRO O=C(c1ccc(F)c(Br)c1)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000323111282 563450505 /nfs/dbraw/zinc/45/05/05/563450505.db2.gz FSFHCEVCRZCFIN-CQSZACIVSA-N 1 0 385.277 2.915 20 0 GFADRO NC(=O)[C@@H](Cc1ccccc1)[NH2+][C@@H]1CCOc2c(Br)cccc21 ZINC000283663325 563450445 /nfs/dbraw/zinc/45/04/45/563450445.db2.gz XOJJEQAFUVXXPZ-HZPDHXFCSA-N 1 0 375.266 2.959 20 0 GFADRO C[N@@H+]1CC[C@@H](CNC(=O)c2cnc(C3OCCO3)s2)[C@@H]1c1cccs1 ZINC000376678735 563450747 /nfs/dbraw/zinc/45/07/47/563450747.db2.gz ISNGORBVTQXFDC-SMDDNHRTSA-N 1 0 379.507 2.673 20 0 GFADRO Cc1cc(C)cc(OC[C@H](O)C[NH2+]CCCn2cc(Br)cn2)c1 ZINC000323938207 563451680 /nfs/dbraw/zinc/45/16/80/563451680.db2.gz SHLPDJOCKYNIPT-MRXNPFEDSA-N 1 0 382.302 2.682 20 0 GFADRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)NC[C@@H](O)c2cccc(Br)c2)C1 ZINC000283701178 563451801 /nfs/dbraw/zinc/45/18/01/563451801.db2.gz XHWBRSFOHPPFKI-WMLDXEAASA-N 1 0 398.345 2.760 20 0 GFADRO O=S(=O)(c1ccccc1OC(F)(F)F)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000326601002 563455181 /nfs/dbraw/zinc/45/51/81/563455181.db2.gz AHGGSXLFSUIAKE-CHWSQXEVSA-N 1 0 378.416 2.738 20 0 GFADRO O=S(=O)(c1cccc(OC(F)(F)F)c1)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000327388337 563457673 /nfs/dbraw/zinc/45/76/73/563457673.db2.gz QWBTXNPKKGQKAR-IUODEOHRSA-N 1 0 378.416 2.738 20 0 GFADRO Fc1ccc(I)c(F)c1CN1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000427098726 563460026 /nfs/dbraw/zinc/46/00/26/563460026.db2.gz CCUMPOYDMMUCDF-RNCFNFMXSA-N 1 0 378.204 2.753 20 0 GFADRO C[NH2+]C[C@H]1CCCN(C(=O)[C@H]2CCCN(c3ccc(Br)cn3)C2)C1 ZINC000377126909 563464205 /nfs/dbraw/zinc/46/42/05/563464205.db2.gz KWJHCTVRHMFCRB-CABCVRRESA-N 1 0 395.345 2.519 20 0 GFADRO CN(Cc1ccc(Cl)s1)C(=O)C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000284299228 563469417 /nfs/dbraw/zinc/46/94/17/563469417.db2.gz YNNSJIGRNTZSAN-UHFFFAOYSA-N 1 0 379.913 2.738 20 0 GFADRO CS(=O)(=O)N1CC[C@H](C[N@@H+]2CCCCC[C@H]2C[C@H](O)c2cccs2)C1 ZINC000377289356 563470165 /nfs/dbraw/zinc/47/01/65/563470165.db2.gz ULDPQZAVHOTNJY-IKGGRYGDSA-N 1 0 386.583 2.698 20 0 GFADRO CCC(C)(C)[NH2+][C@H](C)C(=O)N(CCO)Cc1cc(Br)cs1 ZINC000427586165 563470144 /nfs/dbraw/zinc/47/01/44/563470144.db2.gz JMRVQOGVCKBMEJ-LLVKDONJSA-N 1 0 377.348 2.998 20 0 GFADRO COCC[C@@H](Cc1cccc(Br)c1)C(=O)NCC1=CC[NH2+]CC1 ZINC000427612537 563470893 /nfs/dbraw/zinc/47/08/93/563470893.db2.gz OGTTXPITOHVDSO-INIZCTEOSA-N 1 0 381.314 2.680 20 0 GFADRO CCN(CCc1cccs1)C(=O)C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000284345803 563471564 /nfs/dbraw/zinc/47/15/64/563471564.db2.gz KNGNXYORVLNICF-HNNXBMFYSA-N 1 0 379.551 2.620 20 0 GFADRO COC(=O)c1ccc(C[NH2+]C[C@H]2CCCN(C(C)=O)C2)c(Br)c1 ZINC000284407398 563473876 /nfs/dbraw/zinc/47/38/76/563473876.db2.gz QEMKTKJTTAEVDM-CYBMUJFWSA-N 1 0 383.286 2.584 20 0 GFADRO O=S(=O)(c1csc(-c2ccc(Cl)cc2)n1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000329348393 563478893 /nfs/dbraw/zinc/47/88/93/563478893.db2.gz DMPYYPHLGGSFHJ-CQSZACIVSA-N 1 0 383.926 2.932 20 0 GFADRO OC[C@@H]1CCC[N@@H+]1C[C@@H]1CCCN1Cc1nc2ccccn2c1Br ZINC000377615204 563480509 /nfs/dbraw/zinc/48/05/09/563480509.db2.gz LCCMICVNAQPNBK-GJZGRUSLSA-N 1 0 393.329 2.518 20 0 GFADRO O=C1NC[C@H]2C[N@H+](Cc3ncc(-c4ccccc4Br)o3)CC[C@H]12 ZINC000377642342 563481683 /nfs/dbraw/zinc/48/16/83/563481683.db2.gz AYGDCHMIRPLQFU-RYUDHWBXSA-N 1 0 376.254 2.672 20 0 GFADRO O=C1NC[C@H]2C[N@H+](Cc3ncc(-c4ccc(Br)cc4)o3)CC[C@H]12 ZINC000377668097 563482495 /nfs/dbraw/zinc/48/24/95/563482495.db2.gz KMDYOZLYFAFIDJ-JSGCOSHPSA-N 1 0 376.254 2.672 20 0 GFADRO CC(C)[NH+](CCNc1c(F)cc(S(N)(=O)=O)cc1Br)C(C)C ZINC000428117707 563483332 /nfs/dbraw/zinc/48/33/32/563483332.db2.gz JIUBHXBUGTUTCT-UHFFFAOYSA-N 1 0 396.326 2.766 20 0 GFADRO C[C@H]1CCC[N@H+](CCCCNC(=O)C(=O)N(C)Cc2ccc(Cl)s2)C1 ZINC000284683683 563486050 /nfs/dbraw/zinc/48/60/50/563486050.db2.gz OFXMQJSHLLEINQ-AWEZNQCLSA-N 1 0 385.961 2.988 20 0 GFADRO Brc1cc2c(cc1CN1CCC[N@@H+](C3CCOCC3)CC1)OCO2 ZINC000377771577 563486553 /nfs/dbraw/zinc/48/65/53/563486553.db2.gz OQLYFMOXMBHFLK-UHFFFAOYSA-N 1 0 397.313 2.865 20 0 GFADRO CC[NH+]1CCN(CCC(=O)N2CCc3c(Br)cc(C)cc3C2)CC1 ZINC000428268407 563486626 /nfs/dbraw/zinc/48/66/26/563486626.db2.gz QGUMVDVMFMGNDT-UHFFFAOYSA-N 1 0 394.357 2.670 20 0 GFADRO C[N@@H+]1CC[C@@H](CNC(=O)CSc2n[n-]c(=S)s2)[C@H]1c1cccs1 ZINC000377971143 563492631 /nfs/dbraw/zinc/49/26/31/563492631.db2.gz WLJAAGCULJOSAF-CABZTGNLSA-N 1 0 386.593 2.790 20 0 GFADRO COCCOCC(=O)N(Cc1ccccc1Br)C1CC[NH+](C)CC1 ZINC000378066782 563495801 /nfs/dbraw/zinc/49/58/01/563495801.db2.gz AZMCYTGSWROFOU-UHFFFAOYSA-N 1 0 399.329 2.535 20 0 GFADRO C[C@@H](NC(=O)N[C@H]1C[C@H](C)S(=O)(=O)c2sccc21)C(C)(C)C[NH+](C)C ZINC000378111701 563496048 /nfs/dbraw/zinc/49/60/48/563496048.db2.gz IXESRCMSCNBOIF-SCRDCRAPSA-N 1 0 387.571 2.631 20 0 GFADRO CS(=O)(=O)[C@H]1CCC[C@@H]([NH2+]CCOc2ccc(Br)cc2)C1 ZINC000284956609 563496649 /nfs/dbraw/zinc/49/66/49/563496649.db2.gz FHZYLXGMKYUILW-HIFRSBDPSA-N 1 0 376.316 2.773 20 0 GFADRO C[C@H](NC(=O)[C@H]1C[N@H+](C)C[C@@H]1C)c1ccc(Br)cc1OCCCO ZINC000428604329 563497465 /nfs/dbraw/zinc/49/74/65/563497465.db2.gz XBMPRDYVVZICKH-XEZPLFJOSA-N 1 0 399.329 2.585 20 0 GFADRO CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+]CCc2nc(-c3cccc(Cl)c3)no2)C1 ZINC000285070514 563501331 /nfs/dbraw/zinc/50/13/31/563501331.db2.gz JFAARMIYKUZPLE-LSDHHAIUSA-N 1 0 383.901 2.878 20 0 GFADRO CS(=O)(=O)[C@H]1CCC[C@@H]([NH2+]CCOc2cccc(Br)c2)C1 ZINC000285084227 563502081 /nfs/dbraw/zinc/50/20/81/563502081.db2.gz JQSVLYBSXMRNBR-HIFRSBDPSA-N 1 0 376.316 2.773 20 0 GFADRO C[N@H+](CC/C=C\c1ccc(Br)cc1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000428790150 563502183 /nfs/dbraw/zinc/50/21/83/563502183.db2.gz QHMMAJSYBQWPIT-IMMZDGJCSA-N 1 0 387.343 2.818 20 0 GFADRO C[NH+](C)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)c(Br)c2)CC1 ZINC000428856852 563503333 /nfs/dbraw/zinc/50/33/33/563503333.db2.gz OJYSDHKIMIPFMC-LLVKDONJSA-N 1 0 379.295 2.693 20 0 GFADRO C[C@H](NC(=O)[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)[C@@H]1CCC[NH2+]C1 ZINC000428966279 563505717 /nfs/dbraw/zinc/50/57/17/563505717.db2.gz JXGVSQXDHQDEGU-SCRDCRAPSA-N 1 0 384.307 2.851 20 0 GFADRO COc1ccc(Br)cc1C(=O)CCC(=O)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000428977447 563505738 /nfs/dbraw/zinc/50/57/38/563505738.db2.gz NDEWYKRCTUUTQA-OLZOCXBDSA-N 1 0 397.313 2.925 20 0 GFADRO O=C(c1c(F)cccc1I)N1CCC2(C1)CC[NH2+]CC2 ZINC000378407587 563505982 /nfs/dbraw/zinc/50/59/82/563505982.db2.gz YBNPLGCDZHEMDF-UHFFFAOYSA-N 1 0 388.224 2.646 20 0 GFADRO CCS(=O)(=O)CCCCC[NH2+][C@@H](CO)c1ccc(Br)c(F)c1 ZINC000429018654 563507967 /nfs/dbraw/zinc/50/79/67/563507967.db2.gz HTMCCHSOFHMDPU-HNNXBMFYSA-N 1 0 396.322 2.816 20 0 GFADRO C[C@@H]1C[C@H]1[N@@H+]1CCN(C[C@H](O)COc2ccc(Br)cc2)C[C@@H](C)C1 ZINC000429020951 563507996 /nfs/dbraw/zinc/50/79/96/563507996.db2.gz OKGOBCATRVZFEO-IIHSZXCVSA-N 1 0 397.357 2.851 20 0 GFADRO C[C@H](NC(=O)Cc1csc(NC(=O)c2cccs2)n1)[C@@H]1CCC[NH2+]C1 ZINC000429011957 563508027 /nfs/dbraw/zinc/50/80/27/563508027.db2.gz SZCPDCSMNNCLTE-NWDGAFQWSA-N 1 0 378.523 2.504 20 0 GFADRO Cc1nnc(COCC(=O)N(CC[NH+](C)C)Cc2cccc(Cl)c2)s1 ZINC000285201669 563508522 /nfs/dbraw/zinc/50/85/22/563508522.db2.gz SQNCRNKOAWVNJB-UHFFFAOYSA-N 1 0 382.917 2.607 20 0 GFADRO COc1ccc(Br)c(CN(C)C(=O)C[N@H+](C)[C@H]2CCSC2)c1 ZINC000429047031 563509406 /nfs/dbraw/zinc/50/94/06/563509406.db2.gz OWCCJZUIKYPMBB-ZDUSSCGKSA-N 1 0 387.343 2.853 20 0 GFADRO COc1cc(Br)cc(C)c1NC(=O)N1CC[C@H]2OCCN(C)[C@@H]2C1 ZINC000285230838 563509553 /nfs/dbraw/zinc/50/95/53/563509553.db2.gz NGCAVDCQJGFJLW-ZIAGYGMSSA-N 1 0 398.301 2.703 20 0 GFADRO CC(C)[C@H]([NH2+]CC1(O)CCS(=O)(=O)CC1)c1cccc(C(F)(F)F)c1 ZINC000330527148 563509777 /nfs/dbraw/zinc/50/97/77/563509777.db2.gz PKUMEUNZQLUUDV-HNNXBMFYSA-N 1 0 379.444 2.932 20 0 GFADRO CS(=O)(=O)N[C@H]1CCCC[C@H]1[NH2+]CCCc1ccccc1Br ZINC000330618241 563514285 /nfs/dbraw/zinc/51/42/85/563514285.db2.gz YBVJUNGQIYEGOE-CVEARBPZSA-N 1 0 389.359 2.832 20 0 GFADRO Cn1ccnc1Sc1ncc(C(=O)NCC[C@H]2CCC[NH2+]C2)cc1Cl ZINC000429404424 563516098 /nfs/dbraw/zinc/51/60/98/563516098.db2.gz QPKJGDBLYSGGRN-GFCCVEGCSA-N 1 0 379.917 2.739 20 0 GFADRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1CC(=O)N(C)Cc1ccccc1Br ZINC000285380715 563517434 /nfs/dbraw/zinc/51/74/34/563517434.db2.gz BJYUTAPZIISUBJ-WBVHZDCISA-N 1 0 394.357 2.966 20 0 GFADRO C[C@H](CNC(=O)c1ccc(I)c(Cl)c1)C[NH+](C)C ZINC000385303902 563517928 /nfs/dbraw/zinc/51/79/28/563517928.db2.gz WPTUTVIYOWUCLI-SECBINFHSA-N 1 0 380.657 2.872 20 0 GFADRO Cc1cc(S(=O)(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)ccc1Br ZINC000386826454 563518517 /nfs/dbraw/zinc/51/85/17/563518517.db2.gz SSZCUWRSUZCBSP-BBRMVZONSA-N 1 0 387.343 2.910 20 0 GFADRO COCC(COC)[NH2+]Cc1cc(Br)c(OC)c(Br)c1 ZINC000388487574 563520265 /nfs/dbraw/zinc/52/02/65/563520265.db2.gz DFHRZJIPDFXQGG-UHFFFAOYSA-N 1 0 397.107 2.971 20 0 GFADRO COc1ccc(CN2CCO[C@]3(CCCOC3)C2)c(Br)c1OC ZINC000285452298 563521638 /nfs/dbraw/zinc/52/16/38/563521638.db2.gz YPGMTRUIVKCCRN-QGZVFWFLSA-N 1 0 386.286 2.848 20 0 GFADRO CCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(F)cc2I)C1 ZINC000389663452 563521787 /nfs/dbraw/zinc/52/17/87/563521787.db2.gz CIVZAUDDXUJLPJ-LLVKDONJSA-N 1 0 376.213 2.644 20 0 GFADRO O[C@H](COc1ccc(Br)cc1)C[N@@H+]1CCC[C@@](O)(C(F)(F)F)C1 ZINC000330861773 563524551 /nfs/dbraw/zinc/52/45/51/563524551.db2.gz LRFCFQFJZODVSU-JSGCOSHPSA-N 1 0 398.219 2.578 20 0 GFADRO C[C@H](NC(=O)c1ccc(Br)cc1)C(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000330900020 563526001 /nfs/dbraw/zinc/52/60/01/563526001.db2.gz JPRUFJVEBDKJAY-WWGRRREGSA-N 1 0 396.329 2.509 20 0 GFADRO C[C@H]([NH2+]C[C@H](O)COC1CCOCC1)c1ccc(Br)cc1F ZINC000285659171 563530848 /nfs/dbraw/zinc/53/08/48/563530848.db2.gz MSCVLHVYJJDAKQ-AAEUAGOBSA-N 1 0 376.266 2.795 20 0 GFADRO COCC[C@]1(C(=O)N2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)CC[NH2+]C1 ZINC000430033746 563531610 /nfs/dbraw/zinc/53/16/10/563531610.db2.gz RWJKHRWLJOQQEB-FUHWJXTLSA-N 1 0 387.307 2.910 20 0 GFADRO Cc1cc(S(=O)(=O)N2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)sc1Br ZINC000397292555 563531843 /nfs/dbraw/zinc/53/18/43/563531843.db2.gz XWZINHUDUWEMEG-IEBDPFPHSA-N 1 0 381.361 2.813 20 0 GFADRO CCn1c(C[NH2+][C@H]2CCC(=O)NC2(C)C)nc2cc(Br)ccc21 ZINC000430081611 563532080 /nfs/dbraw/zinc/53/20/80/563532080.db2.gz QJDIVORVHVZHHP-AWEZNQCLSA-N 1 0 379.302 2.966 20 0 GFADRO Cc1[nH]c(=O)c(Br)cc1C(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000285775626 563536028 /nfs/dbraw/zinc/53/60/28/563536028.db2.gz TVSDDTSLXSXBPR-ZDUSSCGKSA-N 1 0 382.302 2.806 20 0 GFADRO C[C@H]1CCCN(CC(=O)N(C)Cc2ccccc2Br)[C@@H]1CC[NH3+] ZINC000404268357 563537065 /nfs/dbraw/zinc/53/70/65/563537065.db2.gz IXSHPPKECIQOEL-WMLDXEAASA-N 1 0 382.346 2.857 20 0 GFADRO CS(=O)(=O)N[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(Br)c(F)c1 ZINC000331174654 563538418 /nfs/dbraw/zinc/53/84/18/563538418.db2.gz JKQYDYCSDVUFTN-KGLIPLIRSA-N 1 0 379.295 2.538 20 0 GFADRO COC(=O)CNC(=O)CC[N@@H+]1CCC[C@H]1c1ccc(Br)c(C)c1 ZINC000430244836 563539372 /nfs/dbraw/zinc/53/93/72/563539372.db2.gz YOGZRVJVRVLURX-HNNXBMFYSA-N 1 0 383.286 2.574 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)N1CC[N@@H+](C[C@@H](C)O)C[C@H]1C ZINC000331181609 563539349 /nfs/dbraw/zinc/53/93/49/563539349.db2.gz MZOYYKYPSZUWSJ-ZIAGYGMSSA-N 1 0 384.318 2.985 20 0 GFADRO COCC[C@@]1(C(=O)NCC(C)(C)c2cccc(Br)c2)CC[NH2+]C1 ZINC000430246526 563539453 /nfs/dbraw/zinc/53/94/53/563539453.db2.gz FBJROVRIYALENF-SFHVURJKSA-N 1 0 383.330 2.859 20 0 GFADRO C[C@H](CC(=O)N(C)C)[NH2+]Cc1cc(Cl)ccc1I ZINC000405753364 563539540 /nfs/dbraw/zinc/53/95/40/563539540.db2.gz DQPCXCOIFZVSRI-SECBINFHSA-N 1 0 380.657 2.901 20 0 GFADRO OC1(C[NH2+]Cc2cc(Cl)ccc2I)CCOCC1 ZINC000405634259 563539564 /nfs/dbraw/zinc/53/95/64/563539564.db2.gz AHRXWBCSWPTMPB-UHFFFAOYSA-N 1 0 381.641 2.576 20 0 GFADRO [NH3+][C@@H]1CC[C@@H](C(=O)N2CCC(C(=O)Nc3cccc(Br)c3)CC2)C1 ZINC000430253462 563539740 /nfs/dbraw/zinc/53/97/40/563539740.db2.gz FCSSNVCCEQSJAR-UKRRQHHQSA-N 1 0 394.313 2.754 20 0 GFADRO C[S@](=O)C1(C[NH2+]Cc2cc(Cl)ccc2I)CC1 ZINC000405435236 563539916 /nfs/dbraw/zinc/53/99/16/563539916.db2.gz JFZJAWOBMKECII-KRWDZBQOSA-N 1 0 383.682 2.945 20 0 GFADRO C[C@@H]1CCC[N@@H+](C(C)(C)CNS(=O)(=O)c2cnccc2C(F)(F)F)C1 ZINC000331297070 563544301 /nfs/dbraw/zinc/54/43/01/563544301.db2.gz ZHGRMFWNKYJLJM-GFCCVEGCSA-N 1 0 379.448 2.889 20 0 GFADRO COCCCCC[NH2+][C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430732138 563548197 /nfs/dbraw/zinc/54/81/97/563548197.db2.gz OCHVXJAMKUSPPS-NSHDSACASA-N 1 0 379.320 2.564 20 0 GFADRO COc1cc(Br)c(OCCN(C)[C@@H](C)C[NH3+])cc1Br ZINC000430966351 563550844 /nfs/dbraw/zinc/55/08/44/563550844.db2.gz OIOWCAMFSXGWPX-VIFPVBQESA-N 1 0 396.123 2.878 20 0 GFADRO CC[NH+](CC)[C@H]1CCN(C(=O)CCCS(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000286267338 563553989 /nfs/dbraw/zinc/55/39/89/563553989.db2.gz VFDZWKAFJRBKSW-INIZCTEOSA-N 1 0 386.945 2.837 20 0 GFADRO NS(=O)(=O)c1ccc(CNC[C@@H]2CCC[N@@H+]2C2CCCCC2)cc1Cl ZINC000331591173 563554108 /nfs/dbraw/zinc/55/41/08/563554108.db2.gz MTJMIXJYEIVCDK-INIZCTEOSA-N 1 0 385.961 2.874 20 0 GFADRO C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)Nc1cc(Br)cnc1-n1cccn1 ZINC000408444295 563556745 /nfs/dbraw/zinc/55/67/45/563556745.db2.gz RXEHEDQGHAXAIN-NWDGAFQWSA-N 1 0 393.289 2.586 20 0 GFADRO C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)Nc1cc(Br)cnc1-n1cccn1 ZINC000408444296 563556848 /nfs/dbraw/zinc/55/68/48/563556848.db2.gz RXEHEDQGHAXAIN-RYUDHWBXSA-N 1 0 393.289 2.586 20 0 GFADRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)Nc1ccnn1-c1ccc(Br)cn1 ZINC000408455438 563557445 /nfs/dbraw/zinc/55/74/45/563557445.db2.gz YKWIDOXSUKTFPY-VXGBXAGGSA-N 1 0 393.289 2.586 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc(-c4ccc(Br)cc4)n[nH]3)C[C@@H]21 ZINC000408464322 563557968 /nfs/dbraw/zinc/55/79/68/563557968.db2.gz HXVKZDBQUIYWSH-WBMJQRKESA-N 1 0 375.270 2.615 20 0 GFADRO Cc1[nH+]c2ccc(Br)cc2c(N2CC[C@H](NS(C)(=O)=O)C2)c1C ZINC000408464818 563558022 /nfs/dbraw/zinc/55/80/22/563558022.db2.gz FWPFBLJHEAENIX-ZDUSSCGKSA-N 1 0 398.326 2.742 20 0 GFADRO Cc1nccn1CCCC[NH2+]Cc1ncc(I)s1 ZINC000286361055 563558037 /nfs/dbraw/zinc/55/80/37/563558037.db2.gz FXWXITBROOASPB-UHFFFAOYSA-N 1 0 376.267 2.823 20 0 GFADRO O=C(CNc1ncc(Br)cc1Cl)NCC[NH+]1CCCCCC1 ZINC000431513810 563561904 /nfs/dbraw/zinc/56/19/04/563561904.db2.gz WJAPGCIVGKVKHF-UHFFFAOYSA-N 1 0 389.725 2.902 20 0 GFADRO COCc1cccc2sc(NC(=O)N3C[C@@H](SC)[C@@H]([NH+](C)C)C3)nc21 ZINC000331813315 563562654 /nfs/dbraw/zinc/56/26/54/563562654.db2.gz XXOAHQMZCBKRCY-GXTWGEPZSA-N 1 0 380.539 2.952 20 0 GFADRO Cc1cnc(C[N@@H+]2CCC[C@@H](C(=O)Nc3ccc(Br)cn3)C2)cn1 ZINC000331831417 563563744 /nfs/dbraw/zinc/56/37/44/563563744.db2.gz RYFNWNCNKAKHCQ-CYBMUJFWSA-N 1 0 390.285 2.793 20 0 GFADRO O=C(NCCn1cc(Br)cn1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000286524249 563563975 /nfs/dbraw/zinc/56/39/75/563563975.db2.gz RVWIQUMRVXFSPH-UHFFFAOYSA-N 1 0 391.313 2.674 20 0 GFADRO CC[NH+](CC)C[C@@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(C(=O)OC)s1 ZINC000431894924 563570995 /nfs/dbraw/zinc/57/09/95/563570995.db2.gz VWRKZBNFBZNGDN-UONOGXRCSA-N 1 0 388.555 2.714 20 0 GFADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)c2c(Cl)cc(F)cc2Cl)CC1 ZINC000431924933 563571688 /nfs/dbraw/zinc/57/16/88/563571688.db2.gz QWQGFCVCHBPURV-CQSZACIVSA-N 1 0 388.270 2.511 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)NCC[NH+]2CCC(C)CC2)c(Br)c1 ZINC000431953957 563572038 /nfs/dbraw/zinc/57/20/38/563572038.db2.gz OPJPAYUQDMYTJR-UHFFFAOYSA-N 1 0 396.329 2.853 20 0 GFADRO C[C@H]([NH2+]C[C@@H]1CCCSC1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000287123754 563588282 /nfs/dbraw/zinc/58/82/82/563588282.db2.gz RFXSRIRPDCELQD-HOTGVXAUSA-N 1 0 384.567 2.501 20 0 GFADRO O=C(Nc1ccc(F)c(Br)c1)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000332262959 563588961 /nfs/dbraw/zinc/58/89/61/563588961.db2.gz FXMUEOMBENKJED-CYBMUJFWSA-N 1 0 398.276 2.614 20 0 GFADRO CO[C@H](C)c1nc(CN2CCC[N@H+](C[C@@](C)(O)C(F)(F)F)CC2)cs1 ZINC000410409596 563589930 /nfs/dbraw/zinc/58/99/30/563589930.db2.gz XTEMKYHZSVEEGB-IUODEOHRSA-N 1 0 381.464 2.672 20 0 GFADRO COC[C@H]([NH2+][C@@H](C)C(=O)Nc1ccc(Br)c(C)c1)[C@@H]1CCCO1 ZINC000432648103 563590388 /nfs/dbraw/zinc/59/03/88/563590388.db2.gz VKUAPWNLTVTVTI-RCBQFDQVSA-N 1 0 385.302 2.868 20 0 GFADRO O=S1(=O)CC[C@H]([NH2+]C[C@@H]2CCCC[C@@H]2O)c2cc(Br)ccc21 ZINC000332311646 563592090 /nfs/dbraw/zinc/59/20/90/563592090.db2.gz GVMHUMZOUSJBBE-CQDKDKBSSA-N 1 0 388.327 2.808 20 0 GFADRO CC(C)(O)C[NH+]1CCN(C(=O)N[C@@H]2COc3c2ccc(Cl)c3Cl)CC1 ZINC000332334036 563593489 /nfs/dbraw/zinc/59/34/89/563593489.db2.gz QWRJPGVAVJYPRG-CYBMUJFWSA-N 1 0 388.295 2.525 20 0 GFADRO C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@H]2CCSc3ccc(Cl)cc32)[C@@H](C)C1 ZINC000332326840 563593616 /nfs/dbraw/zinc/59/36/16/563593616.db2.gz JGMGDTYTWFQPLQ-XEZPLFJOSA-N 1 0 383.945 2.973 20 0 GFADRO O=C(N[C@H]1CC[N@@H+](C2CC2)C1)c1ccn(-c2ccc(Br)cc2)n1 ZINC000432885715 563596051 /nfs/dbraw/zinc/59/60/51/563596051.db2.gz ADPFJWXZOMYKFN-ZDUSSCGKSA-N 1 0 375.270 2.601 20 0 GFADRO C[C@H]1C[NH+](CC2CCN(Cc3nn(C)cc3Br)CC2)C[C@H](C)O1 ZINC000432941142 563597344 /nfs/dbraw/zinc/59/73/44/563597344.db2.gz UHTKNFVWCPZQDB-KBPBESRZSA-N 1 0 385.350 2.504 20 0 GFADRO CCn1cc(Br)cc1C(=O)N1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000332412086 563597753 /nfs/dbraw/zinc/59/77/53/563597753.db2.gz IIFZLHYTWAXLSD-HOCLYGCPSA-N 1 0 384.318 2.629 20 0 GFADRO C[C@@H]([NH2+]CCCN1C(=O)c2ccccc2C1=O)c1ncc(Br)cn1 ZINC000432992972 563599678 /nfs/dbraw/zinc/59/96/78/563599678.db2.gz KZKHJAUJLKFBNS-LLVKDONJSA-N 1 0 389.253 2.576 20 0 GFADRO CC[NH+]1CCC(NC(=O)C2CCN(C(=O)c3ccc(Cl)s3)CC2)CC1 ZINC000332517878 563602733 /nfs/dbraw/zinc/60/27/33/563602733.db2.gz PZUXYRYDMLOMCV-UHFFFAOYSA-N 1 0 383.945 2.854 20 0 GFADRO [NH3+][C@H]1CCC[C@@H](NC(=O)N2CCN(c3cccc(Br)c3)CC2)C1 ZINC000332553397 563604029 /nfs/dbraw/zinc/60/40/29/563604029.db2.gz QTPZIRNXAMCUHN-LSDHHAIUSA-N 1 0 381.318 2.551 20 0 GFADRO CCOC(=O)[C@H](Cc1cc(Cl)cc(Cl)c1)NC(=O)[C@@H](C[NH3+])C(C)C ZINC000433147835 563604093 /nfs/dbraw/zinc/60/40/93/563604093.db2.gz DUHDMUGVAOXZBU-GJZGRUSLSA-N 1 0 375.296 2.815 20 0 GFADRO O=C1CCC[C@H](C[NH2+]Cc2ccc(Br)c(Br)c2)N1 ZINC000433209098 563606484 /nfs/dbraw/zinc/60/64/84/563606484.db2.gz PLJAAVHEZKBYBB-SNVBAGLBSA-N 1 0 376.092 2.970 20 0 GFADRO C[C@H]1C[N@H+](CCCNC(=O)NCc2csc(Br)c2)CCCO1 ZINC000433293806 563608503 /nfs/dbraw/zinc/60/85/03/563608503.db2.gz HYWGIPLJAJAYOL-LBPRGKRZSA-N 1 0 390.347 2.811 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)c2cnn(-c3ccc(Br)cc3)c2)CC[N@@H+]1C ZINC000332633188 563608904 /nfs/dbraw/zinc/60/89/04/563608904.db2.gz HMYPITXXXOWTRR-DOMZBBRYSA-N 1 0 377.286 2.847 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)N[C@@H]2CCN(c3ccccc3Br)C2)C1 ZINC000332641147 563609718 /nfs/dbraw/zinc/60/97/18/563609718.db2.gz GEXIOVBSWVHAEO-RRFJBIMHSA-N 1 0 395.345 2.797 20 0 GFADRO C[NH+](C)C[C@H]1CCN(C(=O)Nc2ccc3nccnc3c2Br)C1 ZINC000287640420 563611466 /nfs/dbraw/zinc/61/14/66/563611466.db2.gz JFKQLILDKPGXBM-LLVKDONJSA-N 1 0 378.274 2.808 20 0 GFADRO O=C(NCC[NH2+][C@H]1CCO[C@@H](C(F)(F)F)C1)c1cccc(Br)c1 ZINC000287643325 563611811 /nfs/dbraw/zinc/61/18/11/563611811.db2.gz KZMRAXFANXYOJK-QWHCGFSZSA-N 1 0 395.219 2.878 20 0 GFADRO CC[NH+](CC)CCNC(=O)C(=O)N[C@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000411247040 563612306 /nfs/dbraw/zinc/61/23/06/563612306.db2.gz SZYCOBWUBKWNKB-CYBMUJFWSA-N 1 0 379.810 2.518 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)c2cn(-c3ccc(Br)cc3)cn2)CC[N@@H+]1C ZINC000332713560 563613195 /nfs/dbraw/zinc/61/31/95/563613195.db2.gz ZEWWLTSNNGGBRN-OCCSQVGLSA-N 1 0 377.286 2.847 20 0 GFADRO CS[C@@H]1CN(C(=O)N[C@H](c2cc(F)ccc2F)C(F)F)C[C@H]1[NH+](C)C ZINC000433651292 563617133 /nfs/dbraw/zinc/61/71/33/563617133.db2.gz WCYKSTRNUZWTBR-MGPQQGTHSA-N 1 0 379.423 2.958 20 0 GFADRO O=C(Nc1cnn(-c2ccccc2Br)c1)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000333180541 563623373 /nfs/dbraw/zinc/62/33/73/563623373.db2.gz RUMBJQBVYDOQMG-OLZOCXBDSA-N 1 0 390.285 2.708 20 0 GFADRO COCCN(CC[NH+](C)C)C(=O)N[C@@H](c1cncc(Br)c1)C1CC1 ZINC000287966889 563624523 /nfs/dbraw/zinc/62/45/23/563624523.db2.gz WBXVEGCPEJEMRK-MRXNPFEDSA-N 1 0 399.333 2.515 20 0 GFADRO COc1ccc(C(=O)N2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)cc1Br ZINC000333285777 563626853 /nfs/dbraw/zinc/62/68/53/563626853.db2.gz NHSRCBVAANHXIN-WMLDXEAASA-N 1 0 397.313 2.816 20 0 GFADRO O=S(=O)(NC1CC[NH+](C2CCCC2)CC1)c1cccnc1C(F)(F)F ZINC000288048777 563627120 /nfs/dbraw/zinc/62/71/20/563627120.db2.gz INGOHVCVZXGPRL-UHFFFAOYSA-N 1 0 377.432 2.786 20 0 GFADRO [NH3+][C@@H]1CCO[C@H](C2CCN(C(=O)c3ccc(Br)cc3F)CC2)C1 ZINC000333301241 563627143 /nfs/dbraw/zinc/62/71/43/563627143.db2.gz QBZCQMJNZRUTKK-CJNGLKHVSA-N 1 0 385.277 2.947 20 0 GFADRO C[N@@H+]1CC[C@H]2OCCN(Cc3c(F)c(F)c(Br)c(F)c3F)[C@@H]2C1 ZINC000411708957 563631090 /nfs/dbraw/zinc/63/10/90/563631090.db2.gz KAEHYRYONOZCCT-NXEZZACHSA-N 1 0 397.210 2.910 20 0 GFADRO C[C@@](CO)([NH2+]CCC(=O)Nc1cccc(Br)c1)c1cccc(O)c1 ZINC000411739293 563632237 /nfs/dbraw/zinc/63/22/37/563632237.db2.gz WFPRBUQVVNGIQO-SFHVURJKSA-N 1 0 393.281 2.981 20 0 GFADRO Cc1cc(CNC(=O)N2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)ccc1Br ZINC000333511613 563634581 /nfs/dbraw/zinc/63/45/81/563634581.db2.gz FNTWECKIZJPLFZ-SJORKVTESA-N 1 0 396.329 2.795 20 0 GFADRO C[C@@H](Sc1ccc(Cl)cc1)C(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000434709240 563635261 /nfs/dbraw/zinc/63/52/61/563635261.db2.gz ULSRZFCCKMEXOY-HIFRSBDPSA-N 1 0 383.945 2.667 20 0 GFADRO [NH3+][C@@H]1CCO[C@@H](C2CCN(S(=O)(=O)c3ccc(C(F)(F)F)s3)CC2)C1 ZINC000333645308 563637735 /nfs/dbraw/zinc/63/77/35/563637735.db2.gz IXRFZLOLCCCGTI-VXGBXAGGSA-N 1 0 398.472 2.674 20 0 GFADRO O=C(Nc1cc(Cl)cc(Cl)c1)[C@@H]1CCCN1C(=O)N[C@H]1CCC[NH2+]C1 ZINC000333651104 563638099 /nfs/dbraw/zinc/63/80/99/563638099.db2.gz JUNBSDFPOGCPJF-ZFWWWQNUSA-N 1 0 385.295 2.858 20 0 GFADRO CN(C)c1cc(NC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)ncc1Br ZINC000333650180 563638122 /nfs/dbraw/zinc/63/81/22/563638122.db2.gz KGBYMRJVCYBBDH-JSGCOSHPSA-N 1 0 396.333 2.858 20 0 GFADRO COC(=O)[C@@H]1CN(Cc2cc(Br)cc3cccnc32)CC[N@H+](C)C1 ZINC000411902005 563640120 /nfs/dbraw/zinc/64/01/20/563640120.db2.gz HLBRPKKDZRSOSI-HNNXBMFYSA-N 1 0 392.297 2.534 20 0 GFADRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)N[C@H]3CCN(c4ccc(Cl)c(Cl)c4)C3)C[C@@H]12 ZINC000333787841 563641732 /nfs/dbraw/zinc/64/17/32/563641732.db2.gz MAFMDNZSIXOVNA-DMVWFOPNSA-N 1 0 383.323 2.951 20 0 GFADRO NC(=O)[C@@]1(c2ccccc2)CC[N@H+](CCOc2ccccc2Br)C1 ZINC000411970547 563642319 /nfs/dbraw/zinc/64/23/19/563642319.db2.gz RUMLWNZQLUSSDR-IBGZPJMESA-N 1 0 389.293 2.957 20 0 GFADRO O=C(c1cc(Br)c2c(c1)OCCO2)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000333811383 563642509 /nfs/dbraw/zinc/64/25/09/563642509.db2.gz JJGWKBWAZVUOIL-SWLSCSKDSA-N 1 0 395.297 2.825 20 0 GFADRO Cc1nc2sccn2c1CN(C)C(=O)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000411982378 563643240 /nfs/dbraw/zinc/64/32/40/563643240.db2.gz KGHVVWHSUFXXHZ-OAHLLOKOSA-N 1 0 378.567 2.880 20 0 GFADRO COc1ccc(Br)c(C(=O)N2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)c1 ZINC000333867217 563643893 /nfs/dbraw/zinc/64/38/93/563643893.db2.gz TZIYLWNVVVUSPU-DLBZAZTESA-N 1 0 397.313 2.816 20 0 GFADRO O=C(c1n[nH]c2ccc(Br)cc21)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000333875432 563644407 /nfs/dbraw/zinc/64/44/07/563644407.db2.gz VGLFKVVYZUDALV-ABAIWWIYSA-N 1 0 377.286 2.930 20 0 GFADRO COc1ccc([C@H](C)NC(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1Br ZINC000333926280 563645959 /nfs/dbraw/zinc/64/59/59/563645959.db2.gz VIFHBHZCCPSAOW-LNSITVRQSA-N 1 0 382.302 2.912 20 0 GFADRO COC(=O)[C@@H]1CSCC[N@H+](CC(=O)N(C)[C@H](C)c2ccc(Cl)cc2)C1 ZINC000412074586 563646858 /nfs/dbraw/zinc/64/68/58/563646858.db2.gz LVGWAAKRHQURSW-HIFRSBDPSA-N 1 0 384.929 2.697 20 0 GFADRO O=C(NCc1nc(C(F)(F)F)cs1)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000412132587 563648506 /nfs/dbraw/zinc/64/85/06/563648506.db2.gz WYADWBRDZAWWGN-NSHDSACASA-N 1 0 379.473 2.996 20 0 GFADRO CCOC(=O)COc1c(Br)cc(C)cc1CN1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000435368832 563649088 /nfs/dbraw/zinc/64/90/88/563649088.db2.gz CENVZLCGQYHZHB-BBRMVZONSA-N 1 0 399.329 2.869 20 0 GFADRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)c2ccc(I)c(O)c2)C1 ZINC000334045593 563651490 /nfs/dbraw/zinc/65/14/90/563651490.db2.gz XYUQKDQPGNRVHR-NEPJUHHUSA-N 1 0 388.249 2.599 20 0 GFADRO CC1(C)CN(C(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)C[C@H](C(F)(F)F)O1 ZINC000412356282 563655020 /nfs/dbraw/zinc/65/50/20/563655020.db2.gz FZPASRJNOWADEH-ZIAGYGMSSA-N 1 0 380.476 2.772 20 0 GFADRO C[C@@H](C[NH+]1CCCCC1)NC(=O)[C@@H]1CC(=O)Nc2ccc(Br)cc21 ZINC000435671231 563656117 /nfs/dbraw/zinc/65/61/17/563656117.db2.gz JERYQKHATKYZIS-SWLSCSKDSA-N 1 0 394.313 2.866 20 0 GFADRO Cc1ncsc1CN(Cc1nc(CC(F)(F)F)no1)C[C@@H]1CC[NH2+]C1 ZINC000435738052 563657665 /nfs/dbraw/zinc/65/76/65/563657665.db2.gz OFSNSJLKPVYQSJ-LLVKDONJSA-N 1 0 375.420 2.551 20 0 GFADRO Cc1ncsc1CCS(=O)(=O)N(CC[NH+](C)C)Cc1ccccc1F ZINC000288853276 563659422 /nfs/dbraw/zinc/65/94/22/563659422.db2.gz AIDYCHYOWCNTBI-UHFFFAOYSA-N 1 0 385.530 2.527 20 0 GFADRO CCC[NH+]1CCC(N(C)C(=O)NCCCn2cc(Br)cn2)CC1 ZINC000288864504 563659733 /nfs/dbraw/zinc/65/97/33/563659733.db2.gz PVSURKSHPGSVMQ-UHFFFAOYSA-N 1 0 386.338 2.552 20 0 GFADRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)[C@H]1CC(=O)Nc2ccc(Br)cc21 ZINC000435893766 563660208 /nfs/dbraw/zinc/66/02/08/563660208.db2.gz ORLIDEBQZQQNJH-CWRNSKLLSA-N 1 0 392.297 2.618 20 0 GFADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H](C)c1ccc(Br)s1 ZINC000436158088 563665813 /nfs/dbraw/zinc/66/58/13/563665813.db2.gz YHGGZMSYYJKOEV-NWDGAFQWSA-N 1 0 390.347 2.982 20 0 GFADRO Cc1ccc(Cc2noc(-c3cc(Br)c(C)n(C)c3=O)n2)cn1 ZINC000289222482 563672292 /nfs/dbraw/zinc/67/22/92/563672292.db2.gz XFVKHMBPZZXPTK-UHFFFAOYSA-N 1 0 375.226 2.800 20 0 GFADRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)Nc1cnc2c(Br)cccn12 ZINC000436498330 563672678 /nfs/dbraw/zinc/67/26/78/563672678.db2.gz OQHWXKJHBRKTHB-GFCCVEGCSA-N 1 0 380.290 2.902 20 0 GFADRO Cc1ccc(C[NH+]2CCC(C(=O)N3CCN(C)CC3)CC2)c(Br)c1 ZINC000289382320 563673898 /nfs/dbraw/zinc/67/38/98/563673898.db2.gz CAQMDUGOHPXHFS-UHFFFAOYSA-N 1 0 394.357 2.744 20 0 GFADRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cn3ccc(Br)cc3n2)[C@]12CCCO2 ZINC000289511218 563676596 /nfs/dbraw/zinc/67/65/96/563676596.db2.gz NAWZOMVJSYPRJJ-BFYDXBDKSA-N 1 0 380.286 2.913 20 0 GFADRO c1ccc(C[N@H+]2CC[C@@H](Sc3nnc(NC[C@@H]4CCCO4)s3)C2)cc1 ZINC000412993413 563678752 /nfs/dbraw/zinc/67/87/52/563678752.db2.gz XWELNFLATMOERQ-JKSUJKDBSA-N 1 0 376.551 3.496 20 0 GFADRO O=C([C@@H]1COc2ccc(Br)cc21)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000289666282 563682967 /nfs/dbraw/zinc/68/29/67/563682967.db2.gz ACCAHAFOPJBDLA-CZUORRHYSA-N 1 0 379.298 2.773 20 0 GFADRO Cc1[nH+]cc2n1CC[C@@H](c1nc([C@@H](C)n3cc(Br)cn3)no1)C2 ZINC000351394465 563688638 /nfs/dbraw/zinc/68/86/38/563688638.db2.gz UDAQXAFNWGQPTK-MWLCHTKSSA-N 1 0 377.246 2.873 20 0 GFADRO Cc1nc([C@H]2CCC[N@H+](C[C@H](O)COc3cccc(Br)c3)C2)no1 ZINC000360036875 563691486 /nfs/dbraw/zinc/69/14/86/563691486.db2.gz AQYIWDBWQWXVQC-ZFWWWQNUSA-N 1 0 396.285 2.760 20 0 GFADRO C[C@]1(C[C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2Br)NC(=O)NC1=O ZINC000289963235 563692959 /nfs/dbraw/zinc/69/29/59/563692959.db2.gz ZECLDBSZZNJJLX-BLLLJJGKSA-N 1 0 384.249 2.541 20 0 GFADRO CN(C)c1cc(Cl)cc(Cl)c1C[NH2+]CC1(OCCO)CCOCC1 ZINC000289997732 563694520 /nfs/dbraw/zinc/69/45/20/563694520.db2.gz XXPQFGFCPJIFAK-UHFFFAOYSA-N 1 0 377.312 2.707 20 0 GFADRO C[C@@H](C[NH+](C)C)NC(=O)NC1CCN(Cc2cccc(Br)c2)CC1 ZINC000413551556 563697339 /nfs/dbraw/zinc/69/73/39/563697339.db2.gz YBVWFGQQQJXNLP-AWEZNQCLSA-N 1 0 397.361 2.663 20 0 GFADRO O=C(CC[C@H]1CC[NH2+]C1)N1CCC[C@@H]1C(=O)Nc1ccc(Br)cc1 ZINC000361224743 563697837 /nfs/dbraw/zinc/69/78/37/563697837.db2.gz WQBJZRCWZMPMIC-XJKSGUPXSA-N 1 0 394.313 2.768 20 0 GFADRO Cc1cc(CS(=O)(=O)NC[C@H]2CC[N@@H+](C)[C@@H]2c2cccc(Cl)c2)no1 ZINC000361367538 563699318 /nfs/dbraw/zinc/69/93/18/563699318.db2.gz XGFOCZOBVHWIFM-RHSMWYFYSA-N 1 0 383.901 2.749 20 0 GFADRO Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000290201143 563701143 /nfs/dbraw/zinc/70/11/43/563701143.db2.gz HVHGDEAOHPLSAA-LBPRGKRZSA-N 1 0 378.826 2.951 20 0 GFADRO O=C(CN1CC[NH+]([C@@H]2CCSC2)CC1)Nc1ccc(Br)cc1 ZINC000361940616 563702251 /nfs/dbraw/zinc/70/22/51/563702251.db2.gz BVBHJBWXXKBJRA-OAHLLOKOSA-N 1 0 384.343 2.511 20 0 GFADRO CNS(=O)(=O)C1CC[NH+]([C@@H]2CCCc3ccc(Br)cc32)CC1 ZINC000362013693 563702642 /nfs/dbraw/zinc/70/26/42/563702642.db2.gz QCSLFGMYZROPOV-MRXNPFEDSA-N 1 0 387.343 2.840 20 0 GFADRO Cn1ccc(N2CC[C@H]([NH2+]Cc3ccc(Cl)c(Br)c3)C2=O)n1 ZINC000362033051 563702819 /nfs/dbraw/zinc/70/28/19/563702819.db2.gz RULGXNRQTLXDJR-ZDUSSCGKSA-N 1 0 383.677 2.731 20 0 GFADRO C[C@@H]1CN(C(=O)[C@H]2SCCc3sccc32)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000362066651 563703508 /nfs/dbraw/zinc/70/35/08/563703508.db2.gz NOKPLFGFQMVHTP-KYJSFNMBSA-N 1 0 379.595 2.563 20 0 GFADRO CCc1noc(CC)c1C[NH2+]C1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000362235307 563704768 /nfs/dbraw/zinc/70/47/68/563704768.db2.gz AKUONVYEOAPDPY-UHFFFAOYSA-N 1 0 383.539 2.804 20 0 GFADRO CC(C)(O)C[NH+]1CCN(C(=O)N[C@@H]2C[C@H]2c2ccc(Cl)cc2Cl)CC1 ZINC000438376463 563705142 /nfs/dbraw/zinc/70/51/42/563705142.db2.gz PCRXOWYIDYXMEV-GOEBONIOSA-N 1 0 386.323 2.947 20 0 GFADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)c3cn(-c4ccc(Br)cc4)cn3)C[C@@H]21 ZINC000362277184 563705273 /nfs/dbraw/zinc/70/52/73/563705273.db2.gz CXKUMMXCXCODQL-DYVFJYSZSA-N 1 0 389.297 2.801 20 0 GFADRO O=C(CSCC(=O)c1ccc(Cl)cc1)Nc1cnc2c(c1)C[NH2+]CC2 ZINC000362285207 563705687 /nfs/dbraw/zinc/70/56/87/563705687.db2.gz RUKPUKIVIMBWPO-UHFFFAOYSA-N 1 0 375.881 2.935 20 0 GFADRO O=C(Nc1cnc2c(c1)C[NH2+]CC2)c1cnn(-c2ccc(Br)cc2)c1 ZINC000362639784 563707660 /nfs/dbraw/zinc/70/76/60/563707660.db2.gz NCVRCTZQOUQAOS-UHFFFAOYSA-N 1 0 398.264 2.928 20 0 GFADRO C[NH+](C)CCN1CCCN(C(=O)[C@H]2C[C@H]2c2ccc(Br)cc2)CC1 ZINC000362833855 563709487 /nfs/dbraw/zinc/70/94/87/563709487.db2.gz HOBIGUXKXFEWNU-ROUUACIJSA-N 1 0 394.357 2.649 20 0 GFADRO COC(=O)[C@H]1CN(C(=O)CCCc2ccc(Cl)c(Cl)c2)CC[N@H+](C)C1 ZINC000413899489 563709554 /nfs/dbraw/zinc/70/95/54/563709554.db2.gz CYXBEILBAUSACE-CQSZACIVSA-N 1 0 387.307 2.879 20 0 GFADRO Cc1cc(Br)cc(C)c1CNC(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000438718189 563709545 /nfs/dbraw/zinc/70/95/45/563709545.db2.gz WVRLGLSMAHNFRF-UHFFFAOYSA-N 1 0 394.317 3.146 20 0 GFADRO C[C@@H]1C[C@@H](N(C)Cc2cn(-c3ccccc3Br)nn2)CC[N@@H+]1C ZINC000290555639 563714160 /nfs/dbraw/zinc/71/41/60/563714160.db2.gz XBYLPTXNWATYRX-HIFRSBDPSA-N 1 0 378.318 2.944 20 0 GFADRO OCC[N@H+](C[C@@H](O)COc1ccccc1C(F)(F)F)[C@@H]1CCCSC1 ZINC000439013089 563715335 /nfs/dbraw/zinc/71/53/35/563715335.db2.gz ZYAUYPMKKPZNAT-ZIAGYGMSSA-N 1 0 379.444 2.635 20 0 GFADRO C[C@@H]([NH2+]CCC(=O)N(C)Cc1ccccc1Br)c1ccn(C)n1 ZINC000414082555 563717983 /nfs/dbraw/zinc/71/79/83/563717983.db2.gz FQNMXBDAVAPMTO-CYBMUJFWSA-N 1 0 379.302 2.882 20 0 GFADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]CCN1CCc2ccccc2C1 ZINC000414078221 563718288 /nfs/dbraw/zinc/71/82/88/563718288.db2.gz ZSCNQZLDGQAUOB-OAHLLOKOSA-N 1 0 390.325 2.647 20 0 GFADRO CCS(=O)(=O)N1CC(C[NH2+][C@@H](C)c2ccc(Br)c(F)c2)C1 ZINC000439147506 563718530 /nfs/dbraw/zinc/71/85/30/563718530.db2.gz SGACLLYYIYQRDN-JTQLQIEISA-N 1 0 379.295 2.520 20 0 GFADRO C[C@@H]([NH2+]C[C@H](O)COc1ccccc1Br)c1cc2n(n1)CCC2 ZINC000414087143 563718935 /nfs/dbraw/zinc/71/89/35/563718935.db2.gz ICXPTXUUSMRJTF-OCCSQVGLSA-N 1 0 380.286 2.682 20 0 GFADRO CCc1ccc([C@@H](CO)[NH2+][C@@H](C)Cn2cc(Br)ccc2=O)cc1 ZINC000414111833 563719343 /nfs/dbraw/zinc/71/93/43/563719343.db2.gz XMNKEAXPZBSHFD-SUMWQHHRSA-N 1 0 379.298 2.885 20 0 GFADRO C[NH+]1CCN(C[C@@H](O)COc2c(Cl)cc(Br)cc2Cl)CC1 ZINC000414154739 563720931 /nfs/dbraw/zinc/72/09/31/563720931.db2.gz UEYHYEKKLZYJBJ-LLVKDONJSA-N 1 0 398.128 2.743 20 0 GFADRO CCOC(=O)N1CCC[N@H+](CCC(=O)Nc2ccccc2Br)CC1 ZINC000363377896 563721177 /nfs/dbraw/zinc/72/11/77/563721177.db2.gz LYBGLLBKKVPWBE-UHFFFAOYSA-N 1 0 398.301 2.942 20 0 GFADRO COc1ccc(Br)cc1C[C@H](CO)C[NH2+][C@H](C)c1ccn(C)n1 ZINC000414145420 563721261 /nfs/dbraw/zinc/72/12/61/563721261.db2.gz KIEFXYLNXJBHJE-OLZOCXBDSA-N 1 0 382.302 2.693 20 0 GFADRO COCCNC(=O)C1([NH2+][C@@H]2CCc3c2cc(Br)cc3Cl)CC1 ZINC000414177627 563721807 /nfs/dbraw/zinc/72/18/07/563721807.db2.gz GEJOQFORHOJMNB-CQSZACIVSA-N 1 0 387.705 2.975 20 0 GFADRO O[C@H](C[NH2+][C@H](c1ccc(Br)cc1Cl)C1CC1)Cn1ccnn1 ZINC000414197536 563721919 /nfs/dbraw/zinc/72/19/19/563721919.db2.gz VZVTYKCFKTWVBG-DOMZBBRYSA-N 1 0 385.693 2.796 20 0 GFADRO O=C(CC[NH+]1CCC(c2cccc(Br)c2)CC1)N1CCOCC1 ZINC000439311826 563722365 /nfs/dbraw/zinc/72/23/65/563722365.db2.gz AZEXSLQYTWOOGU-UHFFFAOYSA-N 1 0 381.314 2.877 20 0 GFADRO [NH3+]CC1CCN(C(=O)Nc2cccc(F)c2I)CC1 ZINC000415364038 563770609 /nfs/dbraw/zinc/77/06/09/563770609.db2.gz ROEZRIZYMYSQDK-UHFFFAOYSA-N 1 0 377.201 2.633 20 0 GFADRO CC(C)C[C@@H](CO)[N@H+](C)C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000439427775 563723860 /nfs/dbraw/zinc/72/38/60/563723860.db2.gz BECRNSBKLTWHJY-GJZGRUSLSA-N 1 0 378.282 2.667 20 0 GFADRO OC[C@H]([NH2+]C[C@H](O)COc1cc(F)cc(Br)c1)c1ccccc1 ZINC000439427245 563723879 /nfs/dbraw/zinc/72/38/79/563723879.db2.gz CRSXCBOHWUQWTR-RDJZCZTQSA-N 1 0 384.245 2.651 20 0 GFADRO C[C@@H](C[NH2+]Cc1ccc(S(N)(=O)=O)c(Cl)c1)N1CCc2ccccc21 ZINC000414257073 563724013 /nfs/dbraw/zinc/72/40/13/563724013.db2.gz FCHJKQIMSGVPGS-ZDUSSCGKSA-N 1 0 379.913 2.528 20 0 GFADRO CN1CCO[C@H]([C@@H]([NH2+]CCC(C)(C)S(C)(=O)=O)c2ccc(Cl)cc2)C1 ZINC000414263597 563724156 /nfs/dbraw/zinc/72/41/56/563724156.db2.gz PIRZJYZISQBKBA-IRXDYDNUSA-N 1 0 388.961 2.515 20 0 GFADRO COc1ccccc1[C@@H](C)[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000414267379 563724182 /nfs/dbraw/zinc/72/41/82/563724182.db2.gz SAULVYMGKFUQEM-LLVKDONJSA-N 1 0 399.310 2.956 20 0 GFADRO C[N@H+](C[C@H](O)COc1cc(F)cc(Br)c1)C[C@H]1CCCOC1 ZINC000439437850 563724534 /nfs/dbraw/zinc/72/45/34/563724534.db2.gz KSJAWKYKWFHAJV-DOMZBBRYSA-N 1 0 376.266 2.686 20 0 GFADRO COCc1ccc(C[NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)cc1 ZINC000414273939 563724812 /nfs/dbraw/zinc/72/48/12/563724812.db2.gz UFESKIUPBGLTPL-UHFFFAOYSA-N 1 0 399.310 2.533 20 0 GFADRO COCCn1cc(C[NH2+]C[C@H]2CCN(c3cccc(Br)c3)C2)cn1 ZINC000363560994 563726141 /nfs/dbraw/zinc/72/61/41/563726141.db2.gz YMUVGUYSLFRYND-OAHLLOKOSA-N 1 0 393.329 2.908 20 0 GFADRO CC[N@@H+]1C[C@H](C)N(C[C@H](O)COc2cc(F)cc(Br)c2)C[C@@H]1C ZINC000439461837 563726735 /nfs/dbraw/zinc/72/67/35/563726735.db2.gz MMEJPLBLDJFVSZ-XEZPLFJOSA-N 1 0 389.309 2.742 20 0 GFADRO COCCN1CC[C@@H]([NH2+]C2CCN(Cc3cccc(Br)c3)CC2)C1 ZINC000414352033 563728596 /nfs/dbraw/zinc/72/85/96/563728596.db2.gz OUGXCRGUNGYUIS-LJQANCHMSA-N 1 0 396.373 2.724 20 0 GFADRO C[C@H]1C[C@H](NC(=O)NCC[N@H+](C)C2CCCC2)c2ccsc2S1(=O)=O ZINC000291145217 563732702 /nfs/dbraw/zinc/73/27/02/563732702.db2.gz ZVCWTTAIBGCOMP-WFASDCNBSA-N 1 0 385.555 2.529 20 0 GFADRO CCc1nc(CC[NH2+]C2CCN(S(=O)(=O)c3cccs3)CC2)cs1 ZINC000363783449 563733371 /nfs/dbraw/zinc/73/33/71/563733371.db2.gz NFMSNALSKOYZKS-UHFFFAOYSA-N 1 0 385.580 2.752 20 0 GFADRO COC(=O)c1cc(C[NH2+][C@H](CO)c2ccc(Br)cc2)n(C)c1C ZINC000291200035 563734032 /nfs/dbraw/zinc/73/40/32/563734032.db2.gz MXVYQHPTJLMXCG-MRXNPFEDSA-N 1 0 381.270 2.706 20 0 GFADRO CCC(=O)N1CC[C@@H](NC(=O)C2CC[NH+](Cc3ccc(Cl)s3)CC2)C1 ZINC000363845323 563734641 /nfs/dbraw/zinc/73/46/41/563734641.db2.gz OEXRKUDQEIVHGH-CQSZACIVSA-N 1 0 383.945 2.741 20 0 GFADRO CCC(CC)[C@H](CNS(=O)(=O)c1ccc(NC(C)=O)c(Cl)c1)[NH+](C)C ZINC000440072531 563735405 /nfs/dbraw/zinc/73/54/05/563735405.db2.gz DBROXYBCCMSIFQ-KRWDZBQOSA-N 1 0 389.949 2.943 20 0 GFADRO COc1ccc(S(=O)(=O)N[C@H]2C[N@H+](C)C[C@H]2c2ccccc2)cc1Cl ZINC000414458406 563739622 /nfs/dbraw/zinc/73/96/22/563739622.db2.gz HJLMQDDENQTYTH-RDJZCZTQSA-N 1 0 380.897 2.725 20 0 GFADRO COc1ccc(S(=O)(=O)N[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)cc1Cl ZINC000414458407 563739862 /nfs/dbraw/zinc/73/98/62/563739862.db2.gz HJLMQDDENQTYTH-WBVHZDCISA-N 1 0 380.897 2.725 20 0 GFADRO COC(=O)c1csc(S(=O)(=O)NC[C@H]([NH3+])c2ccc(C(C)C)cc2)c1 ZINC000440356425 563740060 /nfs/dbraw/zinc/74/00/60/563740060.db2.gz OBZDIYQYLCKFCQ-HNNXBMFYSA-N 1 0 382.507 2.636 20 0 GFADRO O[C@@H](Cn1cccn1)C[N@@H+]1CCC[C@H]1c1ccccc1I ZINC000364067028 563742167 /nfs/dbraw/zinc/74/21/67/563742167.db2.gz QVLHRPZZWOZSPI-CJNGLKHVSA-N 1 0 397.260 2.686 20 0 GFADRO CC(C)(O)C[N@@H+]1CCCN(C(=O)C[C@@H](O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000364076402 563742213 /nfs/dbraw/zinc/74/22/13/563742213.db2.gz UJPGZHJWNYELRY-MRXNPFEDSA-N 1 0 389.323 2.722 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]C[C@@H](C)CCOC ZINC000414476845 563743570 /nfs/dbraw/zinc/74/35/70/563743570.db2.gz AAEPBKXSKFWQJC-STQMWFEESA-N 1 0 387.318 2.725 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]C[C@@H]1C[C@@H](C)O[C@@H]1C ZINC000414508992 563745046 /nfs/dbraw/zinc/74/50/46/563745046.db2.gz CCQKJVKUFQASOI-MQYQWHSLSA-N 1 0 399.329 2.866 20 0 GFADRO CS(=O)(=O)c1cc(C(=O)N2CC[C@]3(CCC[C@@H]3[NH3+])C2)c(Cl)cc1Cl ZINC000364196624 563746208 /nfs/dbraw/zinc/74/62/08/563746208.db2.gz RBRWRNCIOZGART-GOEBONIOSA-N 1 0 391.320 2.740 20 0 GFADRO COCCCOc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000440737498 563748819 /nfs/dbraw/zinc/74/88/19/563748819.db2.gz RXWSVNARIZJTBE-HIFRSBDPSA-N 1 0 390.933 2.551 20 0 GFADRO O=S(=O)(c1cc(Cl)ccc1OCC1CCC1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000440740033 563748894 /nfs/dbraw/zinc/74/88/94/563748894.db2.gz CUPRRKFLRIVGMT-GOSISDBHSA-N 1 0 384.929 2.893 20 0 GFADRO C[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2Br)[C@H]1C[NH3+] ZINC000440745587 563749498 /nfs/dbraw/zinc/74/94/98/563749498.db2.gz GUCMZZSMIPEWKM-SKDRFNHKSA-N 1 0 381.723 2.850 20 0 GFADRO Cc1cc(S(=O)(=O)N2CCC[C@H](CC[NH3+])C2)c(C)cc1Br ZINC000440799690 563750480 /nfs/dbraw/zinc/75/04/80/563750480.db2.gz CNJKPOUOZYUGNL-CYBMUJFWSA-N 1 0 375.332 2.815 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)Nc2ccc(Br)c(C(F)(F)F)c2)CCO1 ZINC000414706714 563750961 /nfs/dbraw/zinc/75/09/61/563750961.db2.gz HDQSKFUGLVMBMR-VIFPVBQESA-N 1 0 382.180 2.659 20 0 GFADRO [NH3+]C[C@@H](NS(=O)(=O)c1cc(Cl)ccc1Br)C1CCCC1 ZINC000440829767 563751208 /nfs/dbraw/zinc/75/12/08/563751208.db2.gz BJVJCNQCILDPKK-GFCCVEGCSA-N 1 0 381.723 2.898 20 0 GFADRO C[NH2+]CCC1CCN(S(=O)(=O)Cc2ccc(Br)cc2)CC1 ZINC000440846005 563751575 /nfs/dbraw/zinc/75/15/75/563751575.db2.gz PRZPJSUNOHHZAD-UHFFFAOYSA-N 1 0 375.332 2.600 20 0 GFADRO COc1ccc([C@H]2CC[NH2+]C[C@H]2NS(=O)(=O)c2ccccc2Cl)cc1 ZINC000440861234 563752302 /nfs/dbraw/zinc/75/23/02/563752302.db2.gz HDLVKPMZXDNIBT-NVXWUHKLSA-N 1 0 380.897 2.773 20 0 GFADRO C[C@]1(CNS(=O)(=O)c2cc(Br)ccc2Cl)CCC[NH2+]C1 ZINC000440854817 563752527 /nfs/dbraw/zinc/75/25/27/563752527.db2.gz DPCFUFJWKXZNRK-ZDUSSCGKSA-N 1 0 381.723 2.771 20 0 GFADRO CCOC(=O)COc1c(Br)cc(C)cc1CNC[C@H]([NH3+])C(C)C ZINC000414800168 563752570 /nfs/dbraw/zinc/75/25/70/563752570.db2.gz RVWSGCAAWMWZAH-HNNXBMFYSA-N 1 0 387.318 2.772 20 0 GFADRO COc1ccc(S(=O)(=O)N(CC[NH3+])Cc2ccccc2)c(Br)c1 ZINC000440848322 563752574 /nfs/dbraw/zinc/75/25/74/563752574.db2.gz XNLAGENITYBRJB-UHFFFAOYSA-N 1 0 399.310 2.607 20 0 GFADRO C[C@@H]1Cc2cc(S(=O)(=O)N3CCC([C@@H]4CCC[NH2+]4)CC3)cc(Cl)c2O1 ZINC000440848765 563752593 /nfs/dbraw/zinc/75/25/93/563752593.db2.gz WGEFDMJRBSGKKS-PXAZEXFGSA-N 1 0 384.929 2.816 20 0 GFADRO C[NH2+]C[C@@H](C)CNC(=O)Nc1ccc(I)cc1Cl ZINC000414793580 563752753 /nfs/dbraw/zinc/75/27/53/563752753.db2.gz KTVSQJVMNCVTRQ-MRVPVSSYSA-N 1 0 381.645 2.922 20 0 GFADRO CCSCC[C@@H](C)NC(=O)C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000414902503 563753322 /nfs/dbraw/zinc/75/33/22/563753322.db2.gz JUMSXZJWCYDPJN-SNVBAGLBSA-N 1 0 377.432 2.751 20 0 GFADRO CC[C@H](NC(=O)C(=O)Nc1ccc(OCC[NH3+])cc1)c1ccc(Cl)s1 ZINC000414855194 563753572 /nfs/dbraw/zinc/75/35/72/563753572.db2.gz VYQBDOVVWDEMBG-ZDUSSCGKSA-N 1 0 381.885 2.945 20 0 GFADRO O=C(CC[N@@H+]1CCC(F)(F)[C@H](CO)C1)Nc1ccc(Br)cc1 ZINC000291678306 563753776 /nfs/dbraw/zinc/75/37/76/563753776.db2.gz GSXKPKRCWRGAAR-NSHDSACASA-N 1 0 377.229 2.727 20 0 GFADRO [NH3+]C[C@@H]1CC[C@H](NC(=O)Nc2cc(Br)ccc2N2CCOCC2)C1 ZINC000414933655 563754296 /nfs/dbraw/zinc/75/42/96/563754296.db2.gz UNCXKFJVOYTIFS-OCCSQVGLSA-N 1 0 397.317 2.535 20 0 GFADRO CCCC[C@H](C[NH3+])NC(=O)Nc1cc(Br)ccc1N1CCOCC1 ZINC000414926126 563754411 /nfs/dbraw/zinc/75/44/11/563754411.db2.gz JXRXQVLIWWEULP-CQSZACIVSA-N 1 0 399.333 2.925 20 0 GFADRO Cn1ncc(Br)c1CN[C@@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000414959742 563755562 /nfs/dbraw/zinc/75/55/62/563755562.db2.gz QFEOMJZASPDGSK-XHDPSFHLSA-N 1 0 385.256 2.696 20 0 GFADRO COc1cc(CN[C@@H]2CC[NH2+][C@H](C)C2)cc(I)c1OC ZINC000414948969 563755604 /nfs/dbraw/zinc/75/56/04/563755604.db2.gz MYMRJWVMHZGHBV-ZYHUDNBSSA-N 1 0 390.265 2.539 20 0 GFADRO COC(=O)c1cc(Br)cc(C(=O)N(C)C[C@H]2CCC[N@H+](C)C2)c1 ZINC000291721210 563755619 /nfs/dbraw/zinc/75/56/19/563755619.db2.gz PVNGSYKBIHMIBM-LBPRGKRZSA-N 1 0 383.286 2.650 20 0 GFADRO O=C(NC[C@H]1CCCC[N@@H+]1C1CC1)c1nc(C2CC2)ncc1Br ZINC000291742852 563756244 /nfs/dbraw/zinc/75/62/44/563756244.db2.gz KUKICODXCCTZGA-CYBMUJFWSA-N 1 0 379.302 2.863 20 0 GFADRO COc1ccc(I)c(NC(=O)N[C@@H](C)CCCC[NH3+])c1 ZINC000415067643 563757751 /nfs/dbraw/zinc/75/77/51/563757751.db2.gz CNIRVNVWUQERGA-JTQLQIEISA-N 1 0 391.253 2.939 20 0 GFADRO C[C@H]1CCNC(=O)[C@@H]1[NH2+]Cc1ccc(I)c(Cl)c1 ZINC000441338721 563757849 /nfs/dbraw/zinc/75/78/49/563757849.db2.gz UHBLKOSVQXSQEH-QPUJVOFHSA-N 1 0 378.641 2.559 20 0 GFADRO CCOc1ccc(C[NH2+]CCNS(=O)(=O)c2ccc(Cl)cc2F)cc1 ZINC000441351880 563757987 /nfs/dbraw/zinc/75/79/87/563757987.db2.gz DSZREMRBTYGMTR-UHFFFAOYSA-N 1 0 386.876 2.946 20 0 GFADRO C[C@@H]1CCNC(=O)[C@H]1[NH2+]Cc1ccc(I)c(Cl)c1 ZINC000441338719 563758256 /nfs/dbraw/zinc/75/82/56/563758256.db2.gz UHBLKOSVQXSQEH-PELKAZGASA-N 1 0 378.641 2.559 20 0 GFADRO COc1ccc(NC(=O)N2C[C@@H](C[NH3+])C3(C2)CCOCC3)c(Br)c1 ZINC000415108261 563759679 /nfs/dbraw/zinc/75/96/79/563759679.db2.gz MBACXKWEWPMDPS-GFCCVEGCSA-N 1 0 398.301 2.677 20 0 GFADRO [NH3+]CC1(NC(=O)Nc2cc(F)c(I)c(F)c2)CCCC1 ZINC000415126640 563760233 /nfs/dbraw/zinc/76/02/33/563760233.db2.gz ULJWGTUNZPYAOH-UHFFFAOYSA-N 1 0 395.191 2.962 20 0 GFADRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)Nc1cc(F)c(I)c(F)c1 ZINC000415129475 563760238 /nfs/dbraw/zinc/76/02/38/563760238.db2.gz ZAEUVVNLPZXYQI-WRWORJQWSA-N 1 0 395.191 2.689 20 0 GFADRO O=C(NCC1=CC[NH2+]CC1)Nc1cc(F)c(I)c(F)c1 ZINC000415123832 563760495 /nfs/dbraw/zinc/76/04/95/563760495.db2.gz QKFCSBPWCDYXKH-UHFFFAOYSA-N 1 0 393.175 2.611 20 0 GFADRO O=C1N[C@H]2CN(Cc3c(Cl)cccc3Cl)CC[C@@H]2N1C1CC[NH2+]CC1 ZINC000415140946 563760576 /nfs/dbraw/zinc/76/05/76/563760576.db2.gz OCFZWRAOTZHRBE-IRXDYDNUSA-N 1 0 383.323 2.714 20 0 GFADRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)Nc1ccc(NS(C)(=O)=O)c(Cl)c1 ZINC000415202560 563762169 /nfs/dbraw/zinc/76/21/69/563762169.db2.gz OGYHFBBPWULZEE-ZDUSSCGKSA-N 1 0 376.910 2.549 20 0 GFADRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)Nc1ccc(F)cc1I ZINC000415249583 563763560 /nfs/dbraw/zinc/76/35/60/563763560.db2.gz KBMKKRDYCNRMFR-DTWKUNHWSA-N 1 0 377.201 2.631 20 0 GFADRO C[C@@H](C[NH3+])CNC(=O)Nc1ccc(CCn2cc(Br)cn2)cc1 ZINC000415211414 563762552 /nfs/dbraw/zinc/76/25/52/563762552.db2.gz MBBBKRONEOIGRI-LBPRGKRZSA-N 1 0 380.290 2.605 20 0 GFADRO CC[NH+](CC)C[C@@H]1CCN(C(=O)c2nc(C3CC3)ncc2Br)C1 ZINC000291877920 563762818 /nfs/dbraw/zinc/76/28/18/563762818.db2.gz XEZKWXCOAILBRD-LBPRGKRZSA-N 1 0 381.318 2.920 20 0 GFADRO C[C@@H]1CN(C(=O)Nc2cc(F)c(F)cc2I)CC[C@H]1[NH3+] ZINC000415242281 563763504 /nfs/dbraw/zinc/76/35/04/563763504.db2.gz UKTVXRFSHDDOPD-RDDDGLTNSA-N 1 0 395.191 2.770 20 0 GFADRO CC1(C)[NH2+]CC[C@H]1NC(=O)Nc1cc(F)c(F)cc1I ZINC000415242295 563763773 /nfs/dbraw/zinc/76/37/73/563763773.db2.gz ULKLYPGEGIXKLG-LLVKDONJSA-N 1 0 395.191 2.831 20 0 GFADRO [NH3+][C@H]1CCCN(C(=O)C(=O)Nc2ccc(Br)c(Cl)c2Cl)C1 ZINC000415273533 563764584 /nfs/dbraw/zinc/76/45/84/563764584.db2.gz VPGODTGFINFCLG-ZETCQYMHSA-N 1 0 395.084 2.644 20 0 GFADRO CCc1ccccc1[C@@H]([NH3+])CNC(=O)Nc1cc(Br)c(=O)n(C)c1 ZINC000415269474 563765009 /nfs/dbraw/zinc/76/50/09/563765009.db2.gz MLGQVSYQARTGFX-HNNXBMFYSA-N 1 0 393.285 2.532 20 0 GFADRO O=C(CC[C@@H]1CCC[NH2+]1)Nc1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 ZINC000291940308 563765277 /nfs/dbraw/zinc/76/52/77/563765277.db2.gz UHCJEVHKXMPWCU-ZDUSSCGKSA-N 1 0 385.917 2.595 20 0 GFADRO C[NH2+]C[C@H]1CCCN(C(=O)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)C1 ZINC000415277697 563765590 /nfs/dbraw/zinc/76/55/90/563765590.db2.gz FOJANGGVMNBMQZ-SNVBAGLBSA-N 1 0 377.794 2.755 20 0 GFADRO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)C1 ZINC000415284242 563765661 /nfs/dbraw/zinc/76/56/61/563765661.db2.gz PDKLBTJSMSBBQZ-JTQLQIEISA-N 1 0 377.794 2.755 20 0 GFADRO O=C(Nc1ccc(Cl)cc1C(F)(F)F)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000441975187 563766188 /nfs/dbraw/zinc/76/61/88/563766188.db2.gz JLVFQDRKMATUCB-SNVBAGLBSA-N 1 0 375.778 2.650 20 0 GFADRO [NH3+]CC1CCN(C(=O)C(=O)Nc2ccc(-c3ccc(Cl)s3)nc2)CC1 ZINC000415309265 563766773 /nfs/dbraw/zinc/76/67/73/563766773.db2.gz YTQABAHLMULVJI-UHFFFAOYSA-N 1 0 378.885 2.599 20 0 GFADRO Cc1cnc(Br)c(NC(=O)N2CC[N@H+](C3CCOCC3)C[C@H]2C)c1 ZINC000291970148 563767138 /nfs/dbraw/zinc/76/71/38/563767138.db2.gz DNDJFNULWCSMCE-CYBMUJFWSA-N 1 0 397.317 2.870 20 0 GFADRO COC(=O)c1cc(Br)ccc1NC(=O)N1CCCC[C@H]1[C@H](C)[NH3+] ZINC000415325023 563767357 /nfs/dbraw/zinc/76/73/57/563767357.db2.gz FMDIUDQDCGRSAA-HZMBPMFUSA-N 1 0 384.274 2.969 20 0 GFADRO CCOC(=O)c1c(NC(=O)N[C@H]2CC[C@@H](C[NH3+])C2)sc2c1CCSC2 ZINC000415341623 563768298 /nfs/dbraw/zinc/76/82/98/563768298.db2.gz PDPGUCWTDHSRJS-MNOVXSKESA-N 1 0 383.539 2.963 20 0 GFADRO C[C@@H](CO)[N@@H+]1CCCN(C(=O)CCCOc2cccc(Br)c2)CC1 ZINC000364921877 563768366 /nfs/dbraw/zinc/76/83/66/563768366.db2.gz KVHSHNZADPJRMO-HNNXBMFYSA-N 1 0 399.329 2.523 20 0 GFADRO C[C@@H]1CN(C(=O)Nc2cnn(-c3ccccc3Br)c2)[C@H](C)C[NH2+]1 ZINC000415351397 563769308 /nfs/dbraw/zinc/76/93/08/563769308.db2.gz HUSSEASNSFLMHH-VXGBXAGGSA-N 1 0 378.274 2.849 20 0 GFADRO Cc1cnc(Br)c(NC(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c1 ZINC000292007607 563769309 /nfs/dbraw/zinc/76/93/09/563769309.db2.gz IIHGMVDXYYYBBD-HUUCEWRRSA-N 1 0 397.317 2.652 20 0 GFADRO Cc1nn(C)c(NC(=O)N2CC[C@@H]([NH3+])C2)c1-c1ccc(Br)cc1 ZINC000415362177 563770628 /nfs/dbraw/zinc/77/06/28/563770628.db2.gz OYVOWDVRNMIOHB-CYBMUJFWSA-N 1 0 378.274 2.723 20 0 GFADRO C[C@H](NC(=O)C(=O)Nc1ccc(Cl)cc1Br)[C@H]1CCC[NH2+]C1 ZINC000415364313 563770770 /nfs/dbraw/zinc/77/07/70/563770770.db2.gz XUVHKJOLYIQOMB-UWVGGRQHSA-N 1 0 388.693 2.545 20 0 GFADRO CN(C(=O)Nc1cccc(F)c1I)[C@H](C[NH3+])C1CC1 ZINC000415362263 563770810 /nfs/dbraw/zinc/77/08/10/563770810.db2.gz ONPABTCUTYUNEB-LLVKDONJSA-N 1 0 377.201 2.631 20 0 GFADRO C[C@H](CNC(=O)[C@@H](C)c1cccc(Br)c1)C[NH+]1CCN(C)CC1 ZINC000292049801 563771283 /nfs/dbraw/zinc/77/12/83/563771283.db2.gz GNKWPANWVSWWIO-CABCVRRESA-N 1 0 382.346 2.552 20 0 GFADRO C[N@@H+]1CC[C@]2(CCN([C@H]3CCN(c4cccc(Br)c4)C3=O)C2)C1 ZINC000292060713 563772189 /nfs/dbraw/zinc/77/21/89/563772189.db2.gz COAHSDQCGUUISB-WMZOPIPTSA-N 1 0 378.314 2.582 20 0 GFADRO C[NH2+]C[C@@H]1CCCN1C(=O)Nc1c(F)cc(C)cc1I ZINC000415394439 563772589 /nfs/dbraw/zinc/77/25/89/563772589.db2.gz QPQWCLAWZWGNSC-JTQLQIEISA-N 1 0 391.228 2.954 20 0 GFADRO C[NH2+]C[C@H]1CCN(C(=O)C(=O)Nc2ccc(Br)c3ccccc23)C1 ZINC000415401682 563772867 /nfs/dbraw/zinc/77/28/67/563772867.db2.gz XQMSISRTUMGRSB-GFCCVEGCSA-N 1 0 390.281 2.609 20 0 GFADRO C[C@H]1CN(S(=O)(=O)c2c[nH]c3nccc(Cl)c23)CC[N@@H+](C2CCC2)C1 ZINC000292068439 563772909 /nfs/dbraw/zinc/77/29/09/563772909.db2.gz POVBVGZMAYSMBH-GFCCVEGCSA-N 1 0 382.917 2.711 20 0 GFADRO O=C(NCC[C@H]1CCC[NH2+]C1)C(=O)Nc1cc(Cl)cc(Br)c1 ZINC000415406980 563772988 /nfs/dbraw/zinc/77/29/88/563772988.db2.gz FFEQDLUITQMIMT-SNVBAGLBSA-N 1 0 388.693 2.547 20 0 GFADRO COC(=O)c1cc(NC(=O)NCCC[C@@H]2CCC[NH2+]2)ccc1Br ZINC000415406396 563773026 /nfs/dbraw/zinc/77/30/26/563773026.db2.gz OHDBESPBBKIMQE-NSHDSACASA-N 1 0 384.274 2.889 20 0 GFADRO C[NH2+]C[C@H](C)CNC(=O)C(=O)Nc1cc(Cl)ccc1SCC(F)(F)F ZINC000415419175 563774273 /nfs/dbraw/zinc/77/42/73/563774273.db2.gz UBVLURVXTRZRQL-VIFPVBQESA-N 1 0 397.850 2.905 20 0 GFADRO COCCOc1ccc(Br)cc1NC(=O)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000415424417 563774327 /nfs/dbraw/zinc/77/43/27/563774327.db2.gz ITVZJQWDTHXSFA-DGCLKSJQSA-N 1 0 386.290 2.675 20 0 GFADRO Cc1c(I)cccc1C(=O)N1CC[C@]2(CCC[C@@H]2[NH3+])C1 ZINC000365106939 563774683 /nfs/dbraw/zinc/77/46/83/563774683.db2.gz WSVZYOVZWPKYOB-GOEBONIOSA-N 1 0 384.261 2.943 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000415427453 563774798 /nfs/dbraw/zinc/77/47/98/563774798.db2.gz BSZINPXMVGCBLU-ZJUUUORDSA-N 1 0 377.794 2.883 20 0 GFADRO [NH3+]CC[C@H]1CCCN(C(=O)c2ccc(S(=O)(=O)c3ccccc3)s2)C1 ZINC000442596075 563775251 /nfs/dbraw/zinc/77/52/51/563775251.db2.gz HVZVJWSECJXAAX-CQSZACIVSA-N 1 0 378.519 2.782 20 0 GFADRO Cc1ccc(F)c(C(=O)N2CCC[N@H+](CC(C)(C)O)CC2)c1Br ZINC000365150926 563775518 /nfs/dbraw/zinc/77/55/18/563775518.db2.gz STPJTTXSFYORLG-UHFFFAOYSA-N 1 0 387.293 2.815 20 0 GFADRO C[C@H]1CN(C(=O)C(=O)Nc2cccnc2-c2ccc(Cl)s2)CC[C@H]1[NH3+] ZINC000415448467 563776171 /nfs/dbraw/zinc/77/61/71/563776171.db2.gz QNRPMUCRCBKENP-WDEREUQCSA-N 1 0 378.885 2.598 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)C1 ZINC000415440306 563776505 /nfs/dbraw/zinc/77/65/05/563776505.db2.gz MHQJYJHSNDYZDN-NXEZZACHSA-N 1 0 377.794 2.883 20 0 GFADRO COC(=O)c1cc(Br)c(F)cc1NC(=O)N1C[C@H](C)[NH2+]C[C@@H]1C ZINC000415465747 563776931 /nfs/dbraw/zinc/77/69/31/563776931.db2.gz FSCQWSLYPGUSMD-IUCAKERBSA-N 1 0 388.237 2.589 20 0 GFADRO COC(=O)c1cc(Br)c(F)cc1NC(=O)N[C@H]1CC[NH2+][C@@H](C)C1 ZINC000415469798 563777674 /nfs/dbraw/zinc/77/76/74/563777674.db2.gz MOFJNTXCAHIBDG-IUCAKERBSA-N 1 0 388.237 2.637 20 0 GFADRO CCC([NH3+])(CC)CNC(=O)C(=O)Nc1cc(Cl)cc(C)c1Br ZINC000415480161 563778184 /nfs/dbraw/zinc/77/81/84/563778184.db2.gz DDKSPUHLMHLZEN-UHFFFAOYSA-N 1 0 390.709 2.983 20 0 GFADRO CC[NH2+]CC1CCN(C(=O)C(=O)Nc2ccc(C)c(Br)c2)CC1 ZINC000415474960 563778232 /nfs/dbraw/zinc/77/82/32/563778232.db2.gz GEMNNNQNVPEHDN-UHFFFAOYSA-N 1 0 382.302 2.544 20 0 GFADRO CC(C)c1cc(Br)ccc1NC(=O)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000415479620 563778265 /nfs/dbraw/zinc/77/82/65/563778265.db2.gz GAEYYKBBIVUTMW-UHFFFAOYSA-N 1 0 384.318 2.954 20 0 GFADRO Cc1ccc(F)c(Br)c1NC(=O)C(=O)N(C)CC[C@H]([NH3+])C(C)C ZINC000415482344 563778386 /nfs/dbraw/zinc/77/83/86/563778386.db2.gz FCXOJMZLLCSFCX-LBPRGKRZSA-N 1 0 388.281 2.667 20 0 GFADRO C[C@@H]1CN(C[C@H]2CCS(=O)(=O)C2)C[C@H](c2cccc(C(F)(F)F)c2)O1 ZINC000292211096 563778593 /nfs/dbraw/zinc/77/85/93/563778593.db2.gz MLJDSSKPGFHKGX-XJKCOSOUSA-N 1 0 377.428 2.902 20 0 GFADRO COC[C@@]1(CNC(=O)Nc2cc(Br)c(C)cc2OC)CCC[NH2+]1 ZINC000415489452 563778971 /nfs/dbraw/zinc/77/89/71/563778971.db2.gz XBGZDCLCQSKDDP-INIZCTEOSA-N 1 0 386.290 2.656 20 0 GFADRO Cc1cccc(NC(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])c1Br ZINC000415493046 563779032 /nfs/dbraw/zinc/77/90/32/563779032.db2.gz CLAVJDWHNZGCER-CYBMUJFWSA-N 1 0 397.317 2.609 20 0 GFADRO O=C1[C@@H]2CN(Cc3ccc(Br)o3)CCN2C(=O)N1c1ccccc1 ZINC000365267617 563779491 /nfs/dbraw/zinc/77/94/91/563779491.db2.gz YFDGKZKUTREMCQ-AWEZNQCLSA-N 1 0 390.237 2.695 20 0 GFADRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)Nc1ccnn1Cc1ccc(Br)cc1 ZINC000415520758 563781437 /nfs/dbraw/zinc/78/14/37/563781437.db2.gz BHBBWWJDSXKDAK-SWLSCSKDSA-N 1 0 392.301 2.813 20 0 GFADRO C[NH2+]C[C@H]1CCCN1C(=O)Nc1ccnn1Cc1cccc(Br)c1 ZINC000415526018 563781820 /nfs/dbraw/zinc/78/18/20/563781820.db2.gz IEDCYIKPBXHSDY-OAHLLOKOSA-N 1 0 392.301 2.910 20 0 GFADRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)Nc1ccc(-c2ccc(Cl)s2)nc1 ZINC000415525469 563781889 /nfs/dbraw/zinc/78/18/89/563781889.db2.gz PFOZZCBVYFTLJY-WDEREUQCSA-N 1 0 378.885 2.598 20 0 GFADRO C[C@@H]1CN(C(=O)Nc2ccnn2Cc2cccc(Br)c2)CC[C@H]1[NH3+] ZINC000415524052 563781895 /nfs/dbraw/zinc/78/18/95/563781895.db2.gz BQUDUJBZPPYROF-IUODEOHRSA-N 1 0 392.301 2.895 20 0 GFADRO O=C(NCCCN1CC[NH2+]CC1)N[C@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000415524353 563782096 /nfs/dbraw/zinc/78/20/96/563782096.db2.gz RWQYACGGXVFIDG-CQSZACIVSA-N 1 0 378.826 2.538 20 0 GFADRO C[C@H](c1ccccc1)[C@H]([NH2+]C[C@H](O)c1ccc(F)c(Br)c1)C(N)=O ZINC000292312409 563782263 /nfs/dbraw/zinc/78/22/63/563782263.db2.gz VLDOERZMIJXHIG-NVGVWMPQSA-N 1 0 395.272 2.869 20 0 GFADRO CS(=O)(=O)N1CC(C[NH2+][C@@H]2CC[C@@H](c3ccc(C(F)(F)F)cc3)C2)C1 ZINC000442850523 563782327 /nfs/dbraw/zinc/78/23/27/563782327.db2.gz IIFSHALJZFKOJS-GDBMZVCRSA-N 1 0 376.444 2.823 20 0 GFADRO O=C(Nc1ccnn1Cc1cccc(Br)c1)NC1CC[NH2+]CC1 ZINC000415528532 563782557 /nfs/dbraw/zinc/78/25/57/563782557.db2.gz QDPSWQBKAKQHIO-UHFFFAOYSA-N 1 0 378.274 2.567 20 0 GFADRO O=C(NC[C@@H]1CCC[NH2+]C1)Nc1ccnn1Cc1cccc(Br)c1 ZINC000415528361 563782735 /nfs/dbraw/zinc/78/27/35/563782735.db2.gz PFZOCDWPUDQJRW-CQSZACIVSA-N 1 0 392.301 2.815 20 0 GFADRO COc1cc(OC)c(NC(=O)N2CC[C@@H](C)[C@H](C[NH3+])C2)cc1Br ZINC000415527452 563782775 /nfs/dbraw/zinc/78/27/75/563782775.db2.gz IZCPQIBFTUPMHH-GHMZBOCLSA-N 1 0 386.290 2.915 20 0 GFADRO C[C@H]([NH2+]CCNS(=O)(=O)c1ccc(F)cc1F)c1cc(F)cc(F)c1 ZINC000442876451 563783113 /nfs/dbraw/zinc/78/31/13/563783113.db2.gz XTCKRMWFCOLWRW-JTQLQIEISA-N 1 0 376.375 2.872 20 0 GFADRO COc1c(Cl)cc(NC(=O)C(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1Cl ZINC000415533567 563783368 /nfs/dbraw/zinc/78/33/68/563783368.db2.gz BGTBUGLDAHHJOH-DHHPTOIESA-N 1 0 386.279 2.682 20 0 GFADRO CN1CC[NH+](CCC2CCN(C(=O)c3ccoc3Br)CC2)CC1 ZINC000365469635 563784567 /nfs/dbraw/zinc/78/45/67/563784567.db2.gz YUHPFORXNNIYRP-UHFFFAOYSA-N 1 0 384.318 2.532 20 0 GFADRO C[NH2+]CCC1CCN(C(=O)C(=O)Nc2ccc(C)c(Br)c2)CC1 ZINC000415559271 563784583 /nfs/dbraw/zinc/78/45/83/563784583.db2.gz ZPCJTFKFCUUVQT-UHFFFAOYSA-N 1 0 382.302 2.544 20 0 GFADRO COC(=O)c1cccc(NC(=O)N[C@@H]2CC[NH2+]CC2(C)C)c1Br ZINC000415603669 563787107 /nfs/dbraw/zinc/78/71/07/563787107.db2.gz DNAVFCKDWFZBAA-GFCCVEGCSA-N 1 0 384.274 2.745 20 0 GFADRO COC(=O)c1cccc(NC(=O)NC[C@H]2CCC[C@H]([NH3+])C2)c1Br ZINC000415616552 563788245 /nfs/dbraw/zinc/78/82/45/563788245.db2.gz UCSOPRQUTMOXOI-QWRGUYRKSA-N 1 0 384.274 2.875 20 0 GFADRO COC(=O)c1cc(NC(=O)N2C[C@@H](C)[NH2+]C[C@H]2C)cc(Br)c1F ZINC000415613638 563788249 /nfs/dbraw/zinc/78/82/49/563788249.db2.gz NOWZMYSPRKDIJH-RKDXNWHRSA-N 1 0 388.237 2.589 20 0 GFADRO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)Nc1ccnn1-c1ccc(Br)cn1 ZINC000415642800 563789996 /nfs/dbraw/zinc/78/99/96/563789996.db2.gz VWCWVRAMWKXUKS-YPMHNXCESA-N 1 0 393.289 2.669 20 0 GFADRO CC(C)c1cc(Br)ccc1NC(=O)C(=O)N[C@H]1CC[NH2+][C@@H](C)C1 ZINC000415651581 563790068 /nfs/dbraw/zinc/79/00/68/563790068.db2.gz COSLOSAQIABRMN-AAEUAGOBSA-N 1 0 382.302 2.768 20 0 GFADRO CCC[NH+]1CCC(N2CCN(C(=O)c3ccoc3Br)CC2)CC1 ZINC000365664025 563790405 /nfs/dbraw/zinc/79/04/05/563790405.db2.gz OFPAMSKZIBCGDV-UHFFFAOYSA-N 1 0 384.318 2.674 20 0 GFADRO O=C(Cc1cc[nH]c(=O)c1Br)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000365674696 563790511 /nfs/dbraw/zinc/79/05/11/563790511.db2.gz IXZKMFDQLXSWSL-DZGCQCFKSA-N 1 0 394.313 2.568 20 0 GFADRO O=C(NCCCN1CC[NH2+]CC1)Nc1cc(F)c(Br)cc1Cl ZINC000415668498 563790777 /nfs/dbraw/zinc/79/07/77/563790777.db2.gz ZWZFNBGJXCTEKI-UHFFFAOYSA-N 1 0 393.688 2.658 20 0 GFADRO CN(C[C@H](O)C[NH3+])C(=O)Nc1ncc(Cc2cc(Cl)ccc2Cl)s1 ZINC000415707489 563791850 /nfs/dbraw/zinc/79/18/50/563791850.db2.gz GIBAVPMSLABGRT-LLVKDONJSA-N 1 0 389.308 2.824 20 0 GFADRO COC(=O)c1cc(NC(=O)N2CC[C@H]([NH3+])[C@H](C)C2)c(C)cc1Br ZINC000415709767 563792635 /nfs/dbraw/zinc/79/26/35/563792635.db2.gz QDVFYSUFPPCVMH-MFKMUULPSA-N 1 0 384.274 2.745 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)cc1Br ZINC000415738544 563793931 /nfs/dbraw/zinc/79/39/31/563793931.db2.gz FSZQJECJKMWHEX-XJKSGUPXSA-N 1 0 394.313 2.509 20 0 GFADRO CCOc1c(Cl)cc(NC(=O)C(=O)N[C@H](C)CCCC[NH3+])cc1Cl ZINC000415744311 563794012 /nfs/dbraw/zinc/79/40/12/563794012.db2.gz PRTNWYGOLYRRSW-SNVBAGLBSA-N 1 0 376.284 2.964 20 0 GFADRO [NH3+]C[C@H]1CCCN1C(=O)Nc1cc(Cl)ccc1I ZINC000415764626 563795006 /nfs/dbraw/zinc/79/50/06/563795006.db2.gz ZSUHSGFCNMXJRI-SECBINFHSA-N 1 0 379.629 2.900 20 0 GFADRO [NH3+][C@@H]1CCC[C@H](CNC(=O)Nc2ccn(-c3ccc(Br)cc3)n2)C1 ZINC000415763964 563795222 /nfs/dbraw/zinc/79/52/22/563795222.db2.gz YUDSMFUWXPSOCE-GXTWGEPZSA-N 1 0 392.301 3.274 20 0 GFADRO COc1cc(I)ccc1NC(=O)N[C@H]1CC[NH2+][C@@H](C)C1 ZINC000415774405 563796257 /nfs/dbraw/zinc/79/62/57/563796257.db2.gz PUIDOVGMEVTPAC-ONGXEEELSA-N 1 0 389.237 2.562 20 0 GFADRO Cc1cc(Cl)c(NC(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)cc1C ZINC000415805089 563796849 /nfs/dbraw/zinc/79/68/49/563796849.db2.gz KAICFFKUMQMICV-CQSZACIVSA-N 1 0 378.826 2.914 20 0 GFADRO [NH3+][C@H]1CCC[C@H](CNC(=O)C(=O)Nc2ccc(Br)cc2Cl)C1 ZINC000415813595 563797432 /nfs/dbraw/zinc/79/74/32/563797432.db2.gz QIMUMTYSPPMELP-ONGXEEELSA-N 1 0 388.693 2.675 20 0 GFADRO Cc1cc(NC(=O)C(=O)NCCC[C@H]2CCC[NH2+]2)cc(C)c1Br ZINC000415806244 563797686 /nfs/dbraw/zinc/79/76/86/563797686.db2.gz OYPUGNSUHNLNJS-CYBMUJFWSA-N 1 0 382.302 2.653 20 0 GFADRO [NH3+][C@H]1CCC[C@H](CNC(=O)C(=O)Nc2ccc(Cl)c(OC(F)F)c2)C1 ZINC000415809746 563797734 /nfs/dbraw/zinc/79/77/34/563797734.db2.gz NGSVQSWXZVZDBK-UWVGGRQHSA-N 1 0 375.803 2.514 20 0 GFADRO O=C(Nc1cc(Cl)c(F)c(Cl)c1)C(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000415815250 563798046 /nfs/dbraw/zinc/79/80/46/563798046.db2.gz FSOLUUWMATVFEQ-GHMZBOCLSA-N 1 0 388.270 2.919 20 0 GFADRO Cc1ccc(NC(=O)C(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1Br ZINC000415825119 563798084 /nfs/dbraw/zinc/79/80/84/563798084.db2.gz XREPDLRKAKVXBS-KBPBESRZSA-N 1 0 394.313 2.544 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N[C@H](C[NH3+])C2CCCC2)cc1Br ZINC000415821862 563798266 /nfs/dbraw/zinc/79/82/66/563798266.db2.gz IYOCSDQPTFEQSZ-OAHLLOKOSA-N 1 0 382.302 2.638 20 0 GFADRO [NH3+]C[C@H](NC(=O)C(=O)Nc1cc(Cl)cc(C(F)(F)F)c1)C1CCCC1 ZINC000415824111 563798364 /nfs/dbraw/zinc/79/83/64/563798364.db2.gz UAIGRRXLEPCUBI-ZDUSSCGKSA-N 1 0 377.794 2.931 20 0 GFADRO CC1(C)CN(C(=O)C(=O)Nc2ccc(Br)c3ccccc23)CC[NH2+]1 ZINC000415820740 563798374 /nfs/dbraw/zinc/79/83/74/563798374.db2.gz CBPOEOJNZVHESJ-UHFFFAOYSA-N 1 0 390.281 2.751 20 0 GFADRO [NH3+][C@H]1CCC[C@@H](CNC(=O)C(=O)Nc2cc3c(cc2Br)CCC3)C1 ZINC000415819502 563798428 /nfs/dbraw/zinc/79/84/28/563798428.db2.gz YERSOSPPQMWOMK-RISCZKNCSA-N 1 0 394.313 2.510 20 0 GFADRO CN(Cc1c(F)cccc1Cl)C(=O)CN1CC[NH+]([C@H]2CCSC2)CC1 ZINC000366067521 563798543 /nfs/dbraw/zinc/79/85/43/563798543.db2.gz LYRUXSLWRHSCGH-AWEZNQCLSA-N 1 0 385.936 2.561 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)C(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000415825888 563798787 /nfs/dbraw/zinc/79/87/87/563798787.db2.gz ZFMGPYLVPOVCHR-ZIAGYGMSSA-N 1 0 394.313 2.544 20 0 GFADRO Cc1cc(Cl)cc(NC(=O)C(=O)N[C@H]2CC[C@H](C[NH3+])C2)c1Br ZINC000415833557 563798928 /nfs/dbraw/zinc/79/89/28/563798928.db2.gz MYUHHKJZJNUBPR-ONGXEEELSA-N 1 0 388.693 2.593 20 0 GFADRO C[N@@H+]1CCC[C@]2(CCN(CC(=O)Nc3ccc(Br)cc3F)C2)C1 ZINC000293035022 563799045 /nfs/dbraw/zinc/79/90/45/563799045.db2.gz RVHHFCQZBUACLN-KRWDZBQOSA-N 1 0 384.293 2.944 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)C(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000415855705 563799572 /nfs/dbraw/zinc/79/95/72/563799572.db2.gz PDHQIJYNFAGZLY-KGLIPLIRSA-N 1 0 394.313 2.544 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1Br ZINC000415882905 563800448 /nfs/dbraw/zinc/80/04/48/563800448.db2.gz XNIGCZGIMBQKBX-MGPQQGTHSA-N 1 0 394.313 2.509 20 0 GFADRO [NH3+]Cc1ccc(NC(=O)NC[C@H](CO)Cc2ccc(Br)cc2)cc1 ZINC000415945818 563800894 /nfs/dbraw/zinc/80/08/94/563800894.db2.gz FACWPAAFYBCFAU-OAHLLOKOSA-N 1 0 392.297 2.881 20 0 GFADRO COc1ccc(NC(=O)[C@H]2C[NH+]3CCC2CC3)c(I)c1 ZINC000366214759 563801855 /nfs/dbraw/zinc/80/18/55/563801855.db2.gz YTOQDKZEFQNMBB-LBPRGKRZSA-N 1 0 386.233 2.580 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)[C@H]2CCCN(c3ccc(Br)cn3)C2)C1 ZINC000366413921 563807613 /nfs/dbraw/zinc/80/76/13/563807613.db2.gz KXJACECFPCFHJW-ZNMIVQPWSA-N 1 0 395.345 2.646 20 0 GFADRO CC[NH+](CC)CCSCC(=O)NCCN1CCc2c(Cl)cccc2C1 ZINC000443562053 563808012 /nfs/dbraw/zinc/80/80/12/563808012.db2.gz VKIVUBICEPKEOZ-UHFFFAOYSA-N 1 0 383.989 2.889 20 0 GFADRO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)Nc1nnc(CC(F)(F)F)s1 ZINC000443591484 563808848 /nfs/dbraw/zinc/80/88/48/563808848.db2.gz JKMVVGNYWPHXIQ-LLVKDONJSA-N 1 0 379.452 3.275 20 0 GFADRO O=C(Cc1cc(Br)ccc1F)N1CC[C@@H](OCC[NH+]2CCCC2)C1 ZINC000443813155 563813066 /nfs/dbraw/zinc/81/30/66/563813066.db2.gz RDQPORPLBGSMMV-MRXNPFEDSA-N 1 0 399.304 2.844 20 0 GFADRO Cc1c(C(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)cnn1-c1ccc(Br)cc1 ZINC000293464808 563813616 /nfs/dbraw/zinc/81/36/16/563813616.db2.gz QHRXYAJUPOOOPS-DYVFJYSZSA-N 1 0 389.297 2.767 20 0 GFADRO C[NH+](C)C1(CNC(=O)[C@@H](c2cc(Cl)cc(Cl)c2)N2CCOCC2)CC1 ZINC000416306481 563815462 /nfs/dbraw/zinc/81/54/62/563815462.db2.gz FZNRQTVKWCVNAH-MRXNPFEDSA-N 1 0 386.323 2.577 20 0 GFADRO COC(=O)c1cc(Br)cc(C(=O)N2CCC[C@@H]([NH+](C)C)CC2)c1 ZINC000293499912 563815771 /nfs/dbraw/zinc/81/57/71/563815771.db2.gz YXFNRCLOSMOOGU-OAHLLOKOSA-N 1 0 383.286 2.792 20 0 GFADRO Cc1cc(Br)cc(S(=O)(=O)N2CCN(C)c3cc[nH+]cc32)c1 ZINC000444058516 563819045 /nfs/dbraw/zinc/81/90/45/563819045.db2.gz OGTHFVXRBGSZJE-UHFFFAOYSA-N 1 0 382.283 2.798 20 0 GFADRO Cn1ncc(C[NH2+]C2(Cc3ccc(F)cc3Br)CCOCC2)n1 ZINC000293580558 563819620 /nfs/dbraw/zinc/81/96/20/563819620.db2.gz NRYJTJOSVQZYCV-UHFFFAOYSA-N 1 0 383.265 2.598 20 0 GFADRO COc1cc(OC)c(S(=O)(=O)NCC[N@@H+]2CCCC[C@@H]2C)cc1Cl ZINC000416376714 563819840 /nfs/dbraw/zinc/81/98/40/563819840.db2.gz TZTMTABUAGQZMJ-LBPRGKRZSA-N 1 0 376.906 2.510 20 0 GFADRO COc1cc(OC)c(S(=O)(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)cc1Cl ZINC000416381963 563820657 /nfs/dbraw/zinc/82/06/57/563820657.db2.gz BPFPUTQLODHLJX-CYBMUJFWSA-N 1 0 390.933 2.756 20 0 GFADRO CC(=O)NCC1CC[NH+](C[C@@](C)(O)c2ccc(Br)cc2F)CC1 ZINC000293665370 563821206 /nfs/dbraw/zinc/82/12/06/563821206.db2.gz YZWKIBYOBSWFRA-QGZVFWFLSA-N 1 0 387.293 2.644 20 0 GFADRO CCS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC[C@H]3C[NH2+]CCC[C@H]32)c1 ZINC000366834782 563821638 /nfs/dbraw/zinc/82/16/38/563821638.db2.gz AKJLPGMXFXGPBO-SUMWQHHRSA-N 1 0 384.929 2.738 20 0 GFADRO CCCC[NH+]1CCC(NS(=O)(=O)c2cccc(Cl)c2C(=O)OC)CC1 ZINC000416394556 563822581 /nfs/dbraw/zinc/82/25/81/563822581.db2.gz VDJGYMSSUDTTNI-UHFFFAOYSA-N 1 0 388.917 2.669 20 0 GFADRO O=C(Nc1cc(F)c(I)c(F)c1)[C@H]1C[C@]12CC[NH2+]C2 ZINC000444164661 563823146 /nfs/dbraw/zinc/82/31/46/563823146.db2.gz ZWQUWGUACDZPRY-OQPBUACISA-N 1 0 378.160 2.508 20 0 GFADRO CCCS(=O)(=O)Nc1ccc(NC(=O)[C@@]2([NH+](C)C)CCCSC2)cc1 ZINC000366911333 563824575 /nfs/dbraw/zinc/82/45/75/563824575.db2.gz FZSNZAAGAZZZGL-QGZVFWFLSA-N 1 0 385.555 2.604 20 0 GFADRO Nc1nccc([C@H]2CCC[N@H+](C[C@@H](O)c3cccc(Br)c3)C2)n1 ZINC000366984018 563826752 /nfs/dbraw/zinc/82/67/52/563826752.db2.gz UDJZYSSNMFYBLH-XJKSGUPXSA-N 1 0 377.286 2.734 20 0 GFADRO CC(C)(O)C[N@@H+]1CCCN(C(=O)c2cn3cc(Cl)cc(Cl)c3n2)CC1 ZINC000367036138 563828096 /nfs/dbraw/zinc/82/80/96/563828096.db2.gz MMCNWZKEDRUVJB-UHFFFAOYSA-N 1 0 385.295 2.560 20 0 GFADRO C[NH+]1CCC(CCO)(NC(=O)c2ccc(Br)c(Cl)c2F)CC1 ZINC000444341174 563829611 /nfs/dbraw/zinc/82/96/11/563829611.db2.gz KEQDCRWIJVOCMQ-UHFFFAOYSA-N 1 0 393.684 2.818 20 0 GFADRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)c3ccncc3)C2)c(Br)c1 ZINC000367133344 563832357 /nfs/dbraw/zinc/83/23/57/563832357.db2.gz LWVKKUKNLBIEPT-HNNXBMFYSA-N 1 0 390.281 2.857 20 0 GFADRO C[C@@H]1CN(C(=O)COc2c(Cl)cccc2Cl)CC[N@@H+]1CC(C)(C)O ZINC000444555207 563833279 /nfs/dbraw/zinc/83/32/79/563833279.db2.gz SZPMFDKWVJPUIL-GFCCVEGCSA-N 1 0 375.296 2.676 20 0 GFADRO Cc1ccc(I)c(C(=O)Nc2ccnn2CC[NH+](C)C)c1 ZINC000294222011 563834374 /nfs/dbraw/zinc/83/43/74/563834374.db2.gz WHJDXJLVGVLBGM-UHFFFAOYSA-N 1 0 398.248 2.610 20 0 GFADRO CC[NH+]1CCC(N(CC(=O)Nc2ccc(Br)cn2)C2CC2)CC1 ZINC000367177390 563834675 /nfs/dbraw/zinc/83/46/75/563834675.db2.gz ZMFMIWHBNFYDEG-UHFFFAOYSA-N 1 0 381.318 2.731 20 0 GFADRO CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+]C[C@H](O)COc2cccc(Cl)c2Cl)C1 ZINC000294256066 563835936 /nfs/dbraw/zinc/83/59/36/563835936.db2.gz NNNMPQWVZDCEOX-RWMBFGLXSA-N 1 0 396.336 2.679 20 0 GFADRO O=S(=O)(C1CC[NH+]([C@H]2CSCCc3ccccc32)CC1)N1CCCC1 ZINC000367357203 563841511 /nfs/dbraw/zinc/84/15/11/563841511.db2.gz VHBJWFJRWXOLHS-IBGZPJMESA-N 1 0 380.579 2.907 20 0 GFADRO COc1ccc(CC[NH2+][C@@H]2CCC[C@@H](S(C)(=O)=O)C2)cc1OC(F)F ZINC000294456713 563843079 /nfs/dbraw/zinc/84/30/79/563843079.db2.gz YRAUOCKKOAFLLQ-ZIAGYGMSSA-N 1 0 377.453 2.785 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)Cc1cc[nH]c(=O)c1Br)C1CCCCC1 ZINC000445178541 563844976 /nfs/dbraw/zinc/84/49/76/563844976.db2.gz ADEKOZXPSAUZJC-CQSZACIVSA-N 1 0 384.318 2.719 20 0 GFADRO C[C@H]1CN(c2nc(C(Cl)(Cl)Cl)ns2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000367435646 563845296 /nfs/dbraw/zinc/84/52/96/563845296.db2.gz ODILHSXJUJWPBL-WDEREUQCSA-N 1 0 398.791 2.827 20 0 GFADRO O=C(NCC1([NH+]2CCCC2)CCOCC1)[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC000294537287 563845983 /nfs/dbraw/zinc/84/59/83/563845983.db2.gz JFNRMJJVGNQBIV-INIZCTEOSA-N 1 0 387.307 2.788 20 0 GFADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1CN1CCCO[C@H](C)C1 ZINC000294592166 563847674 /nfs/dbraw/zinc/84/76/74/563847674.db2.gz AAVHQTVAYHPHKJ-CHWSQXEVSA-N 1 0 385.302 2.573 20 0 GFADRO C[N@@H+]1CCC[C@@H](CCNS(=O)(=O)c2ccc(OCC(F)(F)F)cc2)C1 ZINC000416562372 563849383 /nfs/dbraw/zinc/84/93/83/563849383.db2.gz ODXSWMTUWADTCO-ZDUSSCGKSA-N 1 0 380.432 2.638 20 0 GFADRO Cn1cc(CN2C[C@@H](F)C[C@H]2C[NH2+]Cc2cscc2Br)cn1 ZINC000367598170 563850180 /nfs/dbraw/zinc/85/01/80/563850180.db2.gz DBIAEQFGABYVMC-KBPBESRZSA-N 1 0 387.322 2.946 20 0 GFADRO O=C(Nc1cccnc1Cl)C(=O)NC1CC[NH+](Cc2ccsc2)CC1 ZINC000367618086 563850531 /nfs/dbraw/zinc/85/05/31/563850531.db2.gz NZKPFZJITCOWPP-UHFFFAOYSA-N 1 0 378.885 2.516 20 0 GFADRO CC(C)[C@H](CC(F)(F)F)[NH2+]CC(=O)N1CCN(Cc2ccsc2)CC1 ZINC000445888384 563855513 /nfs/dbraw/zinc/85/55/13/563855513.db2.gz UTTRVHZWQZEQFZ-HNNXBMFYSA-N 1 0 377.476 2.959 20 0 GFADRO Brc1cnn(CCC[NH2+]C2CCN(Cc3cccnc3)CC2)c1 ZINC000367889355 563858342 /nfs/dbraw/zinc/85/83/42/563858342.db2.gz ZJGIHCGETDAISC-UHFFFAOYSA-N 1 0 378.318 2.685 20 0 GFADRO CC(C)N1CCN(C(=O)C2CC[NH+](Cc3ccc(Cl)s3)CC2)CC1=O ZINC000368009868 563861447 /nfs/dbraw/zinc/86/14/47/563861447.db2.gz XVZOSZVLSQNWFE-UHFFFAOYSA-N 1 0 383.945 2.693 20 0 GFADRO COC(=O)[C@@H]1CN(C(=O)Nc2cc(Cl)c(OC)c(Cl)c2)CC[N@H+](C)C1 ZINC000416787653 563861531 /nfs/dbraw/zinc/86/15/31/563861531.db2.gz OUMOJQFXRKOCRP-JTQLQIEISA-N 1 0 390.267 2.571 20 0 GFADRO C[C@H](NC(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1)c1ccc(Cl)cc1Cl ZINC000416823377 563862024 /nfs/dbraw/zinc/86/20/24/563862024.db2.gz YGKYQBRAXSDQPT-NWDGAFQWSA-N 1 0 387.311 2.551 20 0 GFADRO COc1ccc([C@H](C)NC(=O)N[C@H]2C[NH2+]CCC2(F)F)cc1Br ZINC000416885732 563862510 /nfs/dbraw/zinc/86/25/10/563862510.db2.gz FVEZTQKRBOGLPK-ZANVPECISA-N 1 0 392.244 2.815 20 0 GFADRO CC(C)[C@H](NC(=O)c1ccccc1Br)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000446403600 563863836 /nfs/dbraw/zinc/86/38/36/563863836.db2.gz XQQUASFTQMFDQQ-IOASZLSFSA-N 1 0 396.329 2.590 20 0 GFADRO COC(=O)[C@@H]1CN(C(=O)Nc2cc(Cl)c(Cl)cc2OC)CC[N@H+](C)C1 ZINC000417030687 563866031 /nfs/dbraw/zinc/86/60/31/563866031.db2.gz APNJDXHOZAGKMM-JTQLQIEISA-N 1 0 390.267 2.571 20 0 GFADRO [NH3+]CCN(Cc1ccccc1)C(=O)NCCNc1ncc(Cl)cc1Cl ZINC000417059505 563867062 /nfs/dbraw/zinc/86/70/62/563867062.db2.gz IHSAROWQDIRONU-UHFFFAOYSA-N 1 0 382.295 2.971 20 0 GFADRO O=C1[C@@H]([NH2+]C2CCS(=O)(=O)CC2)CCCN1c1ccc(Cl)cc1Cl ZINC000368270127 563867290 /nfs/dbraw/zinc/86/72/90/563867290.db2.gz SGTOLUKXYXONGR-AWEZNQCLSA-N 1 0 391.320 2.656 20 0 GFADRO C[NH2+][C@@H]1CCCN(C(=O)N[C@H](C)c2cc3c(cc2Br)OCCO3)C1 ZINC000417171360 563870098 /nfs/dbraw/zinc/87/00/98/563870098.db2.gz DUHVVRYZOLCLLW-VXGBXAGGSA-N 1 0 398.301 2.675 20 0 GFADRO C[C@@H](NC(=O)N(C)C1CC[NH2+]CC1)c1cc2c(cc1Br)OCCO2 ZINC000417177816 563870321 /nfs/dbraw/zinc/87/03/21/563870321.db2.gz MAIWVDOPKNQHGG-LLVKDONJSA-N 1 0 398.301 2.675 20 0 GFADRO C[C@H](NC(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1)c1cc2c(cc1Br)OCCO2 ZINC000417187304 563871880 /nfs/dbraw/zinc/87/18/80/563871880.db2.gz WMNABYUGPLPEQM-COPLHBTASA-N 1 0 398.301 2.660 20 0 GFADRO C[C@H](NC(=O)N1CC[NH2+][C@H](C)[C@@H]1C)c1cc2c(cc1Br)OCCO2 ZINC000417189724 563871987 /nfs/dbraw/zinc/87/19/87/563871987.db2.gz YXMZMAZHUAFLBW-WOPDTQHZSA-N 1 0 398.301 2.673 20 0 GFADRO COCC[NH2+]CCNC(=O)N[C@H](c1ccc(Br)cc1)C1CCC1 ZINC000417198262 563872715 /nfs/dbraw/zinc/87/27/15/563872715.db2.gz QWYCTIRIRGEUKH-INIZCTEOSA-N 1 0 384.318 2.826 20 0 GFADRO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)NCCC(=O)Nc1ccc(Br)cc1 ZINC000417225336 563874106 /nfs/dbraw/zinc/87/41/06/563874106.db2.gz NRDGZBIONDGCDF-SWLSCSKDSA-N 1 0 397.317 2.594 20 0 GFADRO COCC[N@@H+]1CC[C@@H](NC(=O)Nc2ccc(Cl)c(Br)c2)C1 ZINC000447141448 563875237 /nfs/dbraw/zinc/87/52/37/563875237.db2.gz ZLVOPAVIROWQKF-LLVKDONJSA-N 1 0 376.682 2.945 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)c3cnn(-c4cccc(Br)c4)c3)C[C@@H]21 ZINC000368611780 563875562 /nfs/dbraw/zinc/87/55/62/563875562.db2.gz IQECRDDKWFKBTF-OAUYIBNBSA-N 1 0 389.297 2.834 20 0 GFADRO CCn1nccc1S(=O)(=O)NC[C@H]1CC[N@H+](C)[C@@H]1c1cccc(Cl)c1 ZINC000368697937 563877232 /nfs/dbraw/zinc/87/72/32/563877232.db2.gz FGXQCOPBSXSVQT-RHSMWYFYSA-N 1 0 382.917 2.528 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000368722979 563877868 /nfs/dbraw/zinc/87/78/68/563877868.db2.gz UMWDVRNTWKGCIN-LSDHHAIUSA-N 1 0 384.567 2.609 20 0 GFADRO COc1ccc(Br)cc1CNC(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000417378848 563879102 /nfs/dbraw/zinc/87/91/02/563879102.db2.gz HZXHURSVNMVJPP-CQDKDKBSSA-N 1 0 382.302 2.727 20 0 GFADRO [NH3+]C[C@@H](NC(=O)NCc1cc(Br)ccc1OC(F)F)C1CC1 ZINC000417401103 563879167 /nfs/dbraw/zinc/87/91/67/563879167.db2.gz BPMLBUUCAAMTNQ-LLVKDONJSA-N 1 0 378.217 2.587 20 0 GFADRO COc1ccc(Br)cc1CNC(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000417378293 563879250 /nfs/dbraw/zinc/87/92/50/563879250.db2.gz HKEDXKKTFXZZQV-QGZVFWFLSA-N 1 0 382.302 2.743 20 0 GFADRO Cc1cn2c(n1)CC[C@H]([NH2+][C@H](C)C(=O)Nc1ccc(Br)cc1)C2 ZINC000368844657 563880072 /nfs/dbraw/zinc/88/00/72/563880072.db2.gz HVUCOXCDRDCABS-DOMZBBRYSA-N 1 0 377.286 2.886 20 0 GFADRO CC[NH2+][C@H](C)CNC(=O)NCC1(c2ccc(Br)cc2)CCOCC1 ZINC000417430030 563880128 /nfs/dbraw/zinc/88/01/28/563880128.db2.gz OHCLHMHUYIBMFR-CQSZACIVSA-N 1 0 398.345 2.795 20 0 GFADRO COc1cc(Br)c(CNC(=O)N[C@H]2CCC[C@@H]([NH3+])C2)cc1OC ZINC000417449594 563880705 /nfs/dbraw/zinc/88/07/05/563880705.db2.gz YGKKGDANVBTOJD-NEPJUHHUSA-N 1 0 386.290 2.535 20 0 GFADRO O=C1C[C@@H]([C@H]2CCCC[N@H+]2CCOc2cc(F)cc(Br)c2)CN1 ZINC000368883255 563881065 /nfs/dbraw/zinc/88/10/65/563881065.db2.gz YDEWAWZPFWQZGV-MLGOLLRUSA-N 1 0 385.277 2.958 20 0 GFADRO Cc1ccc(NC(=O)C(=O)NCC2CC[NH+](C3CC3)CC2)cc1Br ZINC000447404895 563881087 /nfs/dbraw/zinc/88/10/87/563881087.db2.gz MEDUOEGVIOKKCI-UHFFFAOYSA-N 1 0 394.313 2.687 20 0 GFADRO O=C(N[C@@H]1CCN(c2ccccc2Br)C1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000417591449 563885533 /nfs/dbraw/zinc/88/55/33/563885533.db2.gz CTHQFFSNMWURKG-QLFBSQMISA-N 1 0 393.329 2.564 20 0 GFADRO C[C@H](CCCC[NH3+])NC(=O)N[C@@H]1CCN(c2ccccc2Br)C1 ZINC000417600849 563886272 /nfs/dbraw/zinc/88/62/72/563886272.db2.gz KIXRKKHRZBFEEK-ZIAGYGMSSA-N 1 0 383.334 2.845 20 0 GFADRO CC(C)[C@H](CNC(=O)N(CC[NH3+])CCO)Cc1ccc(Cl)cc1Cl ZINC000417604394 563886349 /nfs/dbraw/zinc/88/63/49/563886349.db2.gz BSCIJYFWJPORSP-AWEZNQCLSA-N 1 0 376.328 2.771 20 0 GFADRO O=C(NCC1(c2cccc(Br)c2)CC1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000417665569 563886968 /nfs/dbraw/zinc/88/69/68/563886968.db2.gz ZFLJDUXVXKSNOJ-XJKSGUPXSA-N 1 0 378.314 2.874 20 0 GFADRO CC1(C)CN(C(=O)NCCOc2ncc(C(F)(F)F)cc2Cl)CC[NH2+]1 ZINC000417736156 563887923 /nfs/dbraw/zinc/88/79/23/563887923.db2.gz MKVCCNMKDSWTIJ-UHFFFAOYSA-N 1 0 380.798 2.526 20 0 GFADRO [NH3+][C@@H]1CCC[C@H](NC(=O)NCCOc2ncc(C(F)(F)F)cc2Cl)C1 ZINC000417731044 563888179 /nfs/dbraw/zinc/88/81/79/563888179.db2.gz FEMONNUSVQFNTM-MNOVXSKESA-N 1 0 380.798 2.702 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2cc(OC)c(OC)cc2Cl)C[C@H]1C ZINC000447868266 563889100 /nfs/dbraw/zinc/88/91/00/563889100.db2.gz IUSDLFZLGXVDAQ-OLZOCXBDSA-N 1 0 390.933 2.851 20 0 GFADRO C[C@H](CNC(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1)Oc1cccc(Br)c1 ZINC000417784183 563889263 /nfs/dbraw/zinc/88/92/63/563889263.db2.gz BSFDWZMJLDDQDW-MGPQQGTHSA-N 1 0 384.318 2.904 20 0 GFADRO C[C@H](CNC(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1)Oc1ccccc1Br ZINC000417813871 563889823 /nfs/dbraw/zinc/88/98/23/563889823.db2.gz ALCFBXDWPWKARR-CTASWTNQSA-N 1 0 396.329 2.985 20 0 GFADRO Cc1cc(Br)cc(NC(=O)c2cnn([C@@H]3CCC[NH2+]C3)c2)c1N ZINC000417808854 563889969 /nfs/dbraw/zinc/88/99/69/563889969.db2.gz LYKBDOVSBHTHLA-CYBMUJFWSA-N 1 0 378.274 2.713 20 0 GFADRO C[C@H]([NH2+][C@H](CO)[C@@H]1CCCO1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000447913249 563890554 /nfs/dbraw/zinc/89/05/54/563890554.db2.gz IGWNEUNLVZIHTH-FZZIBODNSA-N 1 0 380.794 2.815 20 0 GFADRO CC[C@H](Cc1ccccc1Br)NC(=O)N1CC[C@@H](OC)C[C@H]1C[NH3+] ZINC000417901302 563891589 /nfs/dbraw/zinc/89/15/89/563891589.db2.gz VKROBYCYJZFXHY-OWCLPIDISA-N 1 0 398.345 2.918 20 0 GFADRO C[C@@H](NC(=O)N1CCC([NH3+])CC1)c1nc(-c2ccc(Br)cc2)no1 ZINC000417901791 563891650 /nfs/dbraw/zinc/89/16/50/563891650.db2.gz WNHLIUKUOZWAKH-SNVBAGLBSA-N 1 0 394.273 2.693 20 0 GFADRO COC(=O)c1ccc(S(=O)(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)cc1Cl ZINC000447944991 563891837 /nfs/dbraw/zinc/89/18/37/563891837.db2.gz UOOFLEMFAYRHEW-OAHLLOKOSA-N 1 0 388.917 2.525 20 0 GFADRO C[C@@H](CO[C@@H]1CCOC1)[NH2+]Cc1ccc(F)cc1I ZINC000417924449 563892317 /nfs/dbraw/zinc/89/23/17/563892317.db2.gz AKBFHCMDOWENNS-GXFFZTMASA-N 1 0 379.213 2.714 20 0 GFADRO COC(=O)CSCCC(=O)NC[C@H]1CC[N@H+](C)[C@H]1c1cccc(Cl)c1 ZINC000369358008 563893932 /nfs/dbraw/zinc/89/39/32/563893932.db2.gz JKFSYALRUSIFLA-KDOFPFPSSA-N 1 0 384.929 2.745 20 0 GFADRO COc1cc(Br)ccc1CCCNC(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000418003175 563894660 /nfs/dbraw/zinc/89/46/60/563894660.db2.gz MVGCKWKPJHDFPP-IUODEOHRSA-N 1 0 384.318 2.688 20 0 GFADRO Cc1cc(Br)cn2cc(CNC(=O)NC[C@H]3CCC[C@@H]([NH3+])C3)nc12 ZINC000418016973 563895394 /nfs/dbraw/zinc/89/53/94/563895394.db2.gz GJZJBDOQFUKREI-GXTWGEPZSA-N 1 0 394.317 2.722 20 0 GFADRO Cc1cc(Br)cn2cc(CNC(=O)N[C@@H]3CCCC[C@H]3C[NH3+])nc12 ZINC000418021987 563895437 /nfs/dbraw/zinc/89/54/37/563895437.db2.gz QKHPPLPNMPFHFS-SWLSCSKDSA-N 1 0 394.317 2.722 20 0 GFADRO COCC[NH2+]CCNC(=O)N[C@@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000418044594 563897078 /nfs/dbraw/zinc/89/70/78/563897078.db2.gz MSHMXPBGQTXWQU-OAHLLOKOSA-N 1 0 388.281 2.575 20 0 GFADRO COc1cc(Br)ccc1[C@H](C)NC(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000418074664 563897759 /nfs/dbraw/zinc/89/77/59/563897759.db2.gz YASKYBLTLVMUPO-TVQRCGJNSA-N 1 0 392.244 2.815 20 0 GFADRO Cc1cc(CNC(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)ccc1I ZINC000418138461 563899935 /nfs/dbraw/zinc/89/99/35/563899935.db2.gz GDIWXGHNDXUKNC-CHWSQXEVSA-N 1 0 387.265 2.669 20 0 GFADRO C[C@@H]1CCC[N@H+](CCNC(=O)c2ccc(I)cc2F)C1 ZINC000448710150 563900000 /nfs/dbraw/zinc/90/00/00/563900000.db2.gz UDHCWWNTDHZFJM-LLVKDONJSA-N 1 0 390.240 2.892 20 0 GFADRO C[C@H](C[NH3+])NC(=O)NC[C@H](c1ccc(Cl)cc1)N(C)CCC(F)(F)F ZINC000418168893 563900316 /nfs/dbraw/zinc/90/03/16/563900316.db2.gz MMFYRZVJYKYMKQ-BXUZGUMPSA-N 1 0 380.842 2.912 20 0 GFADRO CN(CCC(F)(F)F)[C@H](CNC(=O)NCCC[NH3+])c1ccc(Cl)cc1 ZINC000418168467 563900364 /nfs/dbraw/zinc/90/03/64/563900364.db2.gz MARGMIIILHFELL-CQSZACIVSA-N 1 0 380.842 2.913 20 0 GFADRO [NH3+][C@@H]1CCC[C@H](CNC(=O)N[C@@H]2COc3cc(F)c(Br)cc32)C1 ZINC000418151664 563900414 /nfs/dbraw/zinc/90/04/14/563900414.db2.gz HBBHMOCCVZGMCP-IMSIIYSGSA-N 1 0 386.265 2.838 20 0 GFADRO C[C@H]1CCN(C(=O)NCc2cc(F)c(F)cc2Br)C[C@H]1C[NH3+] ZINC000418188402 563900858 /nfs/dbraw/zinc/90/08/58/563900858.db2.gz WTPILZFRNUYANP-GXSJLCMTSA-N 1 0 376.245 2.854 20 0 GFADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc2c(ccc(F)c2Br)[nH]1 ZINC000448911709 563903101 /nfs/dbraw/zinc/90/31/01/563903101.db2.gz QQNUWBZMMMQIDO-LLVKDONJSA-N 1 0 398.276 2.910 20 0 GFADRO CCCC[N@H+](C)CCNC(=O)c1ccc(I)cc1F ZINC000448959755 563903835 /nfs/dbraw/zinc/90/38/35/563903835.db2.gz AJUMDCQCQWNRRH-UHFFFAOYSA-N 1 0 378.229 2.892 20 0 GFADRO CC[NH+](CC)C[C@@H](C)NC(=O)c1ccc(I)cc1F ZINC000448976658 563904551 /nfs/dbraw/zinc/90/45/51/563904551.db2.gz OFOIZDDAPFTERN-SNVBAGLBSA-N 1 0 378.229 2.890 20 0 GFADRO CCCC[N@H+](CCO)Cc1cc(Br)ccc1O[C@H](C)C(=O)NC ZINC000449002983 563904744 /nfs/dbraw/zinc/90/47/44/563904744.db2.gz OCJYGRHCNXCBIK-CYBMUJFWSA-N 1 0 387.318 2.557 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[N@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000449044361 563905978 /nfs/dbraw/zinc/90/59/78/563905978.db2.gz DIUJYXQHRNSPHL-XEZPLFJOSA-N 1 0 399.329 2.555 20 0 GFADRO COC(=O)[C@H](O)C1CC[NH+](Cc2ccnc3c(Br)cccc23)CC1 ZINC000449045224 563906054 /nfs/dbraw/zinc/90/60/54/563906054.db2.gz HJVUERBVZFUWBY-QGZVFWFLSA-N 1 0 393.281 2.743 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CNCc1cc(Br)ccc1O[C@H](C)C(=O)NC ZINC000449058272 563906421 /nfs/dbraw/zinc/90/64/21/563906421.db2.gz HVCGMAOIOLFLIZ-CJNGLKHVSA-N 1 0 398.345 2.536 20 0 GFADRO C[C@H](C[NH2+]C[C@H]1CCN(CC(F)(F)F)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000449091343 563906626 /nfs/dbraw/zinc/90/66/26/563906626.db2.gz PYKGBMOXIKKLIO-ZIAGYGMSSA-N 1 0 378.460 2.667 20 0 GFADRO C[C@H](COc1ccc(Cl)c(Cl)c1)[NH2+][C@H]1CCCN(S(C)(=O)=O)C1 ZINC000449101049 563906926 /nfs/dbraw/zinc/90/69/26/563906926.db2.gz STTNVZQZMNFAPC-NEPJUHHUSA-N 1 0 381.325 2.774 20 0 GFADRO CN(C)C(=O)[C@H]1CCCN1CCC[NH2+]Cc1cc(F)cc(Br)c1 ZINC000449110388 563907045 /nfs/dbraw/zinc/90/70/45/563907045.db2.gz CPTRZLNTFHGFJW-MRXNPFEDSA-N 1 0 386.309 2.621 20 0 GFADRO O=C1NC2(CCCC2)C(=O)N1CC[NH2+]Cc1cc(F)cc(Br)c1 ZINC000449255889 564177809 /nfs/dbraw/zinc/17/78/09/564177809.db2.gz GYMIEBSBZGXFIF-UHFFFAOYSA-N 1 0 384.249 2.542 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)CCOc2ccc(Cl)cc2Cl)CC12CCOCC2 ZINC000563164044 564178987 /nfs/dbraw/zinc/17/89/87/564178987.db2.gz XDUZJSSTWJSPQZ-CYBMUJFWSA-N 1 0 387.307 2.976 20 0 GFADRO CCN(CCC[NH+](C)C)C(=O)Cc1cc2c(cc1Br)OCCO2 ZINC000470847792 564179337 /nfs/dbraw/zinc/17/93/37/564179337.db2.gz ORQFEAGXNAQHHZ-UHFFFAOYSA-N 1 0 385.302 2.563 20 0 GFADRO Cc1cc(S(=O)(=O)N2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)sc1C ZINC000538004057 564179352 /nfs/dbraw/zinc/17/93/52/564179352.db2.gz HZSKYANJGFFDQF-HZPDHXFCSA-N 1 0 385.599 2.544 20 0 GFADRO CCOC(=O)[C@@H]1CC[C@H]([NH2+]CCn2cc(Br)ccc2=O)C[C@H]1C ZINC000449381100 564183361 /nfs/dbraw/zinc/18/33/61/564183361.db2.gz XQPWKCALKVLATE-VHDGCEQUSA-N 1 0 385.302 2.568 20 0 GFADRO OCCCN1CCC[C@H]1C[NH2+]Cc1ccc(Br)c2cccnc12 ZINC000449384505 564183451 /nfs/dbraw/zinc/18/34/51/564183451.db2.gz BMAKKBDRRWKBBB-HNNXBMFYSA-N 1 0 378.314 2.934 20 0 GFADRO CCS(=O)(=O)C[C@H](C)[NH2+][C@H](C)[C@@H](OC)c1ccc(Br)cc1 ZINC000538197145 564184187 /nfs/dbraw/zinc/18/41/87/564184187.db2.gz CTHVHGVXOQELER-YWPYICTPSA-N 1 0 378.332 2.938 20 0 GFADRO Cc1c[nH]c(C(C)(C)NC(=O)Cc2cc3c(cc2Br)OCCO3)n1 ZINC000563285851 564184210 /nfs/dbraw/zinc/18/42/10/564184210.db2.gz YRJUIBFHXMZCAW-UHFFFAOYSA-N 1 0 394.269 2.846 20 0 GFADRO COCC[NH2+]C1CCN(C(=O)Nc2cc(F)c(Br)c(F)c2)CC1 ZINC000563289716 564184697 /nfs/dbraw/zinc/18/46/97/564184697.db2.gz VKKPEGIOOHQXGO-UHFFFAOYSA-N 1 0 392.244 2.960 20 0 GFADRO C[C@@H](Cc1c(Cl)cccc1Cl)NC(=O)C(=O)N1CCC(CC[NH3+])CC1 ZINC000563302751 564185622 /nfs/dbraw/zinc/18/56/22/564185622.db2.gz IUFUJFLBWPQCAP-LBPRGKRZSA-N 1 0 386.323 2.628 20 0 GFADRO CN(CC[N@H+](C)Cc1cc(F)cc(Cl)c1)c1ccc(S(N)(=O)=O)cc1 ZINC000449426925 564185602 /nfs/dbraw/zinc/18/56/02/564185602.db2.gz QVXPWMAPTBUHQL-UHFFFAOYSA-N 1 0 385.892 2.695 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)N(C)CCC[NH+](C)C ZINC000538317154 564188062 /nfs/dbraw/zinc/18/80/62/564188062.db2.gz LILKCWWVKIVWBF-OAHLLOKOSA-N 1 0 386.583 2.761 20 0 GFADRO C[C@@H](c1ccc(S(C)(=O)=O)cc1)N1CCC([NH2+]C[C@H]2CCSC2)CC1 ZINC000449515619 564189293 /nfs/dbraw/zinc/18/92/93/564189293.db2.gz AIWJGPVSSFLDOG-JKSUJKDBSA-N 1 0 382.595 2.958 20 0 GFADRO CCN1C[C@@H]([NH2+]C2CCN(Cc3ccccc3Br)CC2)CC1=O ZINC000449524090 564189859 /nfs/dbraw/zinc/18/98/59/564189859.db2.gz ZUCQREPEMNGXDS-INIZCTEOSA-N 1 0 380.330 2.624 20 0 GFADRO COC(=O)c1cc(C[NH2+]C[C@H](CO)Cc2cc(Br)ccc2F)c[nH]1 ZINC000449599798 564191000 /nfs/dbraw/zinc/19/10/00/564191000.db2.gz MAISRXAAMLEYEE-GFCCVEGCSA-N 1 0 399.260 2.644 20 0 GFADRO Cc1ccc(C[C@@H](CO)C[NH2+]Cc2cc(C(N)=O)cs2)cc1Br ZINC000449600309 564191286 /nfs/dbraw/zinc/19/12/86/564191286.db2.gz NXAUQVOJDUFKHO-CYBMUJFWSA-N 1 0 397.338 2.859 20 0 GFADRO COc1ccc(C[NH2+]C[C@@H](CO)Cc2cc(Br)ccc2F)cn1 ZINC000449599786 564191325 /nfs/dbraw/zinc/19/13/25/564191325.db2.gz LWDWYEJLUCAENC-ZDUSSCGKSA-N 1 0 383.261 2.933 20 0 GFADRO Cn1cc(I)c(C[NH2+][C@@H]2CCCC[C@H]2[C@@H]2CCOC2)n1 ZINC000449603548 564191935 /nfs/dbraw/zinc/19/19/35/564191935.db2.gz GYLOOCSXJSWWOI-MBNYWOFBSA-N 1 0 389.281 2.710 20 0 GFADRO COC(=O)c1ccc(C[NH2+]C[C@@H](CO)Cc2ccc(C)c(Br)c2)[nH]1 ZINC000449605452 564191980 /nfs/dbraw/zinc/19/19/80/564191980.db2.gz ZIFWTQPUFZNUNT-AWEZNQCLSA-N 1 0 395.297 2.813 20 0 GFADRO Cc1nc(NC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)sc1C(F)(F)F ZINC000563470005 564192583 /nfs/dbraw/zinc/19/25/83/564192583.db2.gz XPKASJCHOGQEST-NSHDSACASA-N 1 0 380.436 2.949 20 0 GFADRO CC(C)Oc1cc(Br)cc(NC(=O)NC[C@H]2C[NH2+]CCCO2)c1 ZINC000563519906 564193893 /nfs/dbraw/zinc/19/38/93/564193893.db2.gz JUGGJQOVLUZBGU-OAHLLOKOSA-N 1 0 386.290 2.736 20 0 GFADRO COc1ccc(Br)cc1C[C@@H](CO)C[NH2+]Cc1nc(C)ccc1O ZINC000449677431 564194009 /nfs/dbraw/zinc/19/40/09/564194009.db2.gz BCTVSDPUCIGUKD-CYBMUJFWSA-N 1 0 395.297 2.808 20 0 GFADRO O=c1cc(C[N@@H+]2CCC[C@H]2C2CCOCC2)nc2ccc(Br)cn12 ZINC000538628342 564194999 /nfs/dbraw/zinc/19/49/99/564194999.db2.gz SFUBDPZUENGMTR-INIZCTEOSA-N 1 0 392.297 2.848 20 0 GFADRO COc1ccc(Br)cc1C[C@@H](CO)C[NH2+]Cc1ccncc1F ZINC000449683662 564195937 /nfs/dbraw/zinc/19/59/37/564195937.db2.gz QGEYXVNPJMNFJE-GFCCVEGCSA-N 1 0 383.261 2.933 20 0 GFADRO Cc1c(Br)cccc1C[C@H](CO)C[NH2+]Cc1cnc2cnccn12 ZINC000449684750 564196635 /nfs/dbraw/zinc/19/66/35/564196635.db2.gz QAJUOUQYBDYWSX-AWEZNQCLSA-N 1 0 389.297 2.741 20 0 GFADRO C[C@H](Oc1ccc(F)cc1Br)C(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000449714474 564197797 /nfs/dbraw/zinc/19/77/97/564197797.db2.gz CEPKCVUXZDXJNR-WRWORJQWSA-N 1 0 387.171 2.751 20 0 GFADRO CN1CCC[C@@H]([NH2+]CC2(c3cccc(Br)c3)CCOCC2)C1=O ZINC000538706537 564198121 /nfs/dbraw/zinc/19/81/21/564198121.db2.gz DHKUQPAVLWUXQS-MRXNPFEDSA-N 1 0 381.314 2.708 20 0 GFADRO [NH3+]C[C@H]1CC[C@@H](NC(=O)c2ccc(I)cc2Cl)C1 ZINC000449725465 564198573 /nfs/dbraw/zinc/19/85/73/564198573.db2.gz ZUWRFZPAMUOVRS-WCBMZHEXSA-N 1 0 378.641 2.802 20 0 GFADRO Cc1cc(NC(=O)c2ccco2)sc1C(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000449723420 564198623 /nfs/dbraw/zinc/19/86/23/564198623.db2.gz RDMJBGOXYBOADA-SNVBAGLBSA-N 1 0 375.372 2.911 20 0 GFADRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)[C@@H]2CCCN2C(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000449724661 564198684 /nfs/dbraw/zinc/19/86/84/564198684.db2.gz YRDOYNOJSYRNKW-KFNAQCHYSA-N 1 0 384.307 2.842 20 0 GFADRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)c2cc(I)ccc2Cl)C1 ZINC000449723659 564198723 /nfs/dbraw/zinc/19/87/23/564198723.db2.gz XIRYEUJXEZXQKS-PSASIEDQSA-N 1 0 378.641 2.802 20 0 GFADRO [NH3+]CC[C@H](NC(=O)[C@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1)C(F)(F)F ZINC000449721598 564198762 /nfs/dbraw/zinc/19/87/62/564198762.db2.gz OSJHMHXIQYUNJH-UFBFGSQYSA-N 1 0 398.212 2.742 20 0 GFADRO CC1(C)[NH2+]CC[C@H]1NC(=O)c1nn(-c2ccc(F)cc2)cc1Br ZINC000449748493 564199243 /nfs/dbraw/zinc/19/92/43/564199243.db2.gz BMSBQLNSQNXZMC-CYBMUJFWSA-N 1 0 381.249 2.644 20 0 GFADRO CN1CC[C@@H](NC(=O)c2csc(CC[NH3+])n2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000563713487 564202897 /nfs/dbraw/zinc/20/28/97/564202897.db2.gz MUFDIGQOWFWQGP-CZUORRHYSA-N 1 0 382.892 2.612 20 0 GFADRO CC(=O)c1cc(Br)ccc1OCC(=O)NCC[N@H+]1CCC[C@@H](C)C1 ZINC000506514076 564203839 /nfs/dbraw/zinc/20/38/39/564203839.db2.gz CJAXKWOKWJJCBD-CYBMUJFWSA-N 1 0 397.313 2.879 20 0 GFADRO O=C(NCc1cc(Cl)sc1Cl)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000538916777 564205715 /nfs/dbraw/zinc/20/57/15/564205715.db2.gz DGWMHFRHBFDARE-NSHDSACASA-N 1 0 378.325 2.919 20 0 GFADRO C[C@@H](CNC(=O)[C@H]1Cc2cc(Br)ccc2O1)[NH+]1CCC(C)CC1 ZINC000471873764 564206187 /nfs/dbraw/zinc/20/61/87/564206187.db2.gz DVTKEUPEEASLLU-SUMWQHHRSA-N 1 0 381.314 2.989 20 0 GFADRO CCCN(CCC[NH+](C)C)C(=O)Nc1ccc(Cl)c(S(C)(=O)=O)c1 ZINC000471870858 564206204 /nfs/dbraw/zinc/20/62/04/564206204.db2.gz NXFDXGAZVHHIIX-UHFFFAOYSA-N 1 0 375.922 2.939 20 0 GFADRO Brc1ccccc1-n1nnnc1CN1CC[NH2+]C[C@H]1c1ccccc1 ZINC000563799969 564207717 /nfs/dbraw/zinc/20/77/17/564207717.db2.gz ABACKOUHBDPTDI-KRWDZBQOSA-N 1 0 399.296 2.571 20 0 GFADRO CCSc1ccc([C@H](C)[NH2+]CCS(=O)(=O)NC[C@H]2CCCCO2)cc1 ZINC000539077823 564208379 /nfs/dbraw/zinc/20/83/79/564208379.db2.gz CDCYCJLVQDOYLE-DOTOQJQBSA-N 1 0 386.583 2.938 20 0 GFADRO C[C@@H]([NH2+][C@@H]1CC(=O)N(CCN2CCOCC2)C1)c1cc(Cl)cc(Cl)c1 ZINC000539085514 564208972 /nfs/dbraw/zinc/20/89/72/564208972.db2.gz XJXLOFZYFNZTHH-CXAGYDPISA-N 1 0 386.323 2.577 20 0 GFADRO C[C@H]1C[C@@H](NC(=O)c2ccccc2-n2cc(Br)cn2)CC[N@@H+]1C ZINC000449941127 564209945 /nfs/dbraw/zinc/20/99/45/564209945.db2.gz OWEVIUUMCBZSRM-JSGCOSHPSA-N 1 0 377.286 2.847 20 0 GFADRO C[C@H]1CC[N@H+](C)CCN1C(=O)c1c(F)cccc1I ZINC000472090993 564212579 /nfs/dbraw/zinc/21/25/79/564212579.db2.gz TZZCORZJMFSCTE-JTQLQIEISA-N 1 0 376.213 2.597 20 0 GFADRO O=C(c1ccc(-n2cc(Br)cn2)cc1)N1CC[NH+]2CCC1CC2 ZINC000563930533 564213587 /nfs/dbraw/zinc/21/35/87/564213587.db2.gz XPLJTIYNZNIBKG-UHFFFAOYSA-N 1 0 375.270 2.555 20 0 GFADRO C[C@H]1CCN(C(=O)c2c(Br)cnn2C)CC[N@@H+]1Cc1ccccc1 ZINC000450001523 564213652 /nfs/dbraw/zinc/21/36/52/564213652.db2.gz YPUAWQNTPFHECF-AWEZNQCLSA-N 1 0 391.313 2.919 20 0 GFADRO COC(=O)CC[N@@H+]1CCN(Cc2cc(Br)ccc2OC)[C@H](C)C1 ZINC000539318683 564215601 /nfs/dbraw/zinc/21/56/01/564215601.db2.gz IXMKHGGESVCUII-CYBMUJFWSA-N 1 0 385.302 2.527 20 0 GFADRO CCN(CC)S(=O)(=O)c1ccc(CNC2CC[NH+](CC3CC3)CC2)s1 ZINC000539301752 564215636 /nfs/dbraw/zinc/21/56/36/564215636.db2.gz YGILJNTZVOLZAX-UHFFFAOYSA-N 1 0 385.599 2.743 20 0 GFADRO COc1ccc(Cl)cc1C1(C[NH2+][C@H]2CCCS(=O)(=O)C2)CCOCC1 ZINC000539308848 564215968 /nfs/dbraw/zinc/21/59/68/564215968.db2.gz RBNOAVSGLFKVSU-HNNXBMFYSA-N 1 0 387.929 2.564 20 0 GFADRO CCC[N@H+](CC)CCNC(=O)c1ccc(I)c(F)c1 ZINC000472224147 564217472 /nfs/dbraw/zinc/21/74/72/564217472.db2.gz SHTBHOBCUQJUOI-UHFFFAOYSA-N 1 0 378.229 2.892 20 0 GFADRO CS[C@@H]1CN(C(=O)c2csc(Cc3cccc(F)c3)n2)C[C@@H]1[NH+](C)C ZINC000507084751 564217735 /nfs/dbraw/zinc/21/77/35/564217735.db2.gz KSHPYTHMNGSQBT-JKSUJKDBSA-N 1 0 379.526 2.991 20 0 GFADRO CC[N@H+](CCNC(=O)C(=O)NCCCc1ccc(Cl)cc1Cl)C(C)C ZINC000564128588 564221162 /nfs/dbraw/zinc/22/11/62/564221162.db2.gz KDOPCAFDVCMPLY-UHFFFAOYSA-N 1 0 388.339 2.889 20 0 GFADRO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)Nc1ccncc1Br ZINC000507199324 564221891 /nfs/dbraw/zinc/22/18/91/564221891.db2.gz HSROVZPJGASBHU-CYBMUJFWSA-N 1 0 377.286 2.908 20 0 GFADRO Cc1ccc(CC(=O)NCCCC[N@@H+]2CCC[C@@H]2CO)c(Br)c1 ZINC000450241482 564224196 /nfs/dbraw/zinc/22/41/96/564224196.db2.gz JFFZQSUXGAITTH-MRXNPFEDSA-N 1 0 383.330 2.653 20 0 GFADRO CS(=O)(=O)C1(C[NH2+]C[C@@H](O)COc2cc(Cl)ccc2Cl)CCCC1 ZINC000564202817 564224935 /nfs/dbraw/zinc/22/49/35/564224935.db2.gz BNTSYVIMKCIORP-CYBMUJFWSA-N 1 0 396.336 2.680 20 0 GFADRO Cn1ccnc1[C@@H](NC(=O)C(=O)Nc1cc(F)ccc1Br)C1CC1 ZINC000507392897 564227910 /nfs/dbraw/zinc/22/79/10/564227910.db2.gz KLXSYBQUXQPEPS-ZDUSSCGKSA-N 1 0 395.232 2.528 20 0 GFADRO COCC1(C[NH2+]C[C@H](O)COc2c(Cl)cccc2Cl)CCOCC1 ZINC000564321758 564229038 /nfs/dbraw/zinc/22/90/38/564229038.db2.gz MLUZUKQNKOBFTG-ZDUSSCGKSA-N 1 0 378.296 2.766 20 0 GFADRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)C(=O)Nc1cc(Br)ccc1F ZINC000507633129 564236170 /nfs/dbraw/zinc/23/61/70/564236170.db2.gz RWBUFQBPVWAQSK-AAEUAGOBSA-N 1 0 398.276 2.612 20 0 GFADRO O=C(CCC[S@](=O)c1ccc(Br)cc1)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000564530395 564237586 /nfs/dbraw/zinc/23/75/86/564237586.db2.gz SPWIONLYSDZBNR-LZDDTZTRSA-N 1 0 399.354 2.547 20 0 GFADRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)C(=O)Nc1ccc(Br)cc1F ZINC000507662139 564237821 /nfs/dbraw/zinc/23/78/21/564237821.db2.gz VXWLIUMWUVYANN-YPMHNXCESA-N 1 0 398.276 2.612 20 0 GFADRO C[C@@H]1[C@H](NC(=O)c2ccc(I)cc2F)CCC[N@@H+]1C ZINC000450548251 564238683 /nfs/dbraw/zinc/23/86/83/564238683.db2.gz HDFZGTODEZAHON-NOZJJQNGSA-N 1 0 376.213 2.643 20 0 GFADRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)C(=O)Nc1c(F)cccc1Br ZINC000507672086 564238634 /nfs/dbraw/zinc/23/86/34/564238634.db2.gz ACHDMIAPSBBLTG-NEPJUHHUSA-N 1 0 398.276 2.612 20 0 GFADRO CS[C@@H]1CN(C(=O)c2ccsc2NC(=O)c2ccco2)C[C@H]1[NH+](C)C ZINC000540126450 564239984 /nfs/dbraw/zinc/23/99/84/564239984.db2.gz WRRIWFYXQRFHRJ-TZMCWYRMSA-N 1 0 379.507 2.711 20 0 GFADRO COCCCOc1ccc(Cl)cc1S(=O)(=O)N1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000507729153 564241384 /nfs/dbraw/zinc/24/13/84/564241384.db2.gz ZIVANWICPZDXDQ-HIFRSBDPSA-N 1 0 390.933 2.646 20 0 GFADRO CO[C@H](C(=O)Nc1ccc(CN2CC[NH+](C)CC2)c(Br)c1)C1CC1 ZINC000473224809 564242005 /nfs/dbraw/zinc/24/20/05/564242005.db2.gz APIJYDRHMSAWFS-KRWDZBQOSA-N 1 0 396.329 2.560 20 0 GFADRO CO[C@@H](C(=O)Nc1ccc(CN2CC[NH+](C)CC2)c(Br)c1)C1CC1 ZINC000473224811 564242208 /nfs/dbraw/zinc/24/22/08/564242208.db2.gz APIJYDRHMSAWFS-QGZVFWFLSA-N 1 0 396.329 2.560 20 0 GFADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)Nc1cc(F)c(Br)cc1C ZINC000473274047 564243598 /nfs/dbraw/zinc/24/35/98/564243598.db2.gz RWPNDRSBPZCXLQ-NSHDSACASA-N 1 0 388.281 2.682 20 0 GFADRO Cc1c([C@@H](C)[NH2+][C@H]2CCN(S(C)(=O)=O)C2)cnn1-c1cccc(Cl)c1 ZINC000564662927 564244662 /nfs/dbraw/zinc/24/46/62/564244662.db2.gz YTTUVSCOABRSIB-DOMZBBRYSA-N 1 0 382.917 2.519 20 0 GFADRO NC(=O)[C@@H]([NH2+]CCc1c[nH]c2ncccc12)c1ccc(Br)cc1F ZINC000507854524 564245085 /nfs/dbraw/zinc/24/50/85/564245085.db2.gz YOXORZOZLOHLOT-HNNXBMFYSA-N 1 0 391.244 2.823 20 0 GFADRO CC(=O)N1CCC[N@H+](C[C@H]2CCCN(c3ncccc3Br)C2)CC1 ZINC000450780555 564247620 /nfs/dbraw/zinc/24/76/20/564247620.db2.gz YAHUYBIAEZNGDA-MRXNPFEDSA-N 1 0 395.345 2.615 20 0 GFADRO Cn1ncc(Br)c1C(=O)NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000450786528 564247635 /nfs/dbraw/zinc/24/76/35/564247635.db2.gz AFDJHNDLMKWOKF-SFHVURJKSA-N 1 0 391.313 2.967 20 0 GFADRO COc1ccc(Br)c(C[NH2+][C@@H]2CCCC[C@@H]2S(C)(=O)=O)c1 ZINC000540411787 564247848 /nfs/dbraw/zinc/24/78/48/564247848.db2.gz IEPHOCUUDXZQEK-CABCVRRESA-N 1 0 376.316 2.903 20 0 GFADRO C[C@@]1(CNC(=O)COc2ccc(Br)cc2Cl)CCC[NH2+]C1 ZINC000564792451 564249070 /nfs/dbraw/zinc/24/90/70/564249070.db2.gz KOEBTXZGKFFACH-OAHLLOKOSA-N 1 0 375.694 2.987 20 0 GFADRO Cc1ncc(C[NH2+]C[C@@H](O)COc2cc(F)cc(Br)c2)s1 ZINC000564846235 564251544 /nfs/dbraw/zinc/25/15/44/564251544.db2.gz JGWDQGUOUBQLLJ-GFCCVEGCSA-N 1 0 375.263 2.883 20 0 GFADRO Cc1ccc(Br)cc1C[NH2+][C@@H]1CCCC[C@H]1NS(C)(=O)=O ZINC000450864736 564252308 /nfs/dbraw/zinc/25/23/08/564252308.db2.gz UZHOMARDTGGJPJ-HUUCEWRRSA-N 1 0 375.332 2.708 20 0 GFADRO NC(=O)c1cccc(C[NH2+][C@@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)c1 ZINC000473674319 564252519 /nfs/dbraw/zinc/25/25/19/564252519.db2.gz IIAUUZVRGRATDB-OAHLLOKOSA-N 1 0 378.259 2.987 20 0 GFADRO NC(=O)c1cccc(C[NH2+][C@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)c1 ZINC000473674318 564252796 /nfs/dbraw/zinc/25/27/96/564252796.db2.gz IIAUUZVRGRATDB-HNNXBMFYSA-N 1 0 378.259 2.987 20 0 GFADRO CS[C@H]1CN(C(=O)c2cc(C)n(-c3ccccc3Cl)n2)C[C@H]1[NH+](C)C ZINC000540688044 564254981 /nfs/dbraw/zinc/25/49/81/564254981.db2.gz NIJZEOBWBUAAFG-SJORKVTESA-N 1 0 378.929 2.952 20 0 GFADRO CN1CCC[C@H]([NH+]2CCC(C(=O)Nc3ccc(Br)cc3)CC2)C1=O ZINC000540908350 564260277 /nfs/dbraw/zinc/26/02/77/564260277.db2.gz NLPNSHUXQGWEEO-INIZCTEOSA-N 1 0 394.313 2.720 20 0 GFADRO O[C@H](C[NH2+]C[C@H](O)Cc1cccc(F)c1)COc1ccc(Br)cc1 ZINC000564974891 564261209 /nfs/dbraw/zinc/26/12/09/564261209.db2.gz DOSRDRPXNVAQID-IAGOWNOFSA-N 1 0 398.272 2.521 20 0 GFADRO Cc1cnc(CC[NH2+]Cc2ccc(Br)cc2N2CCOCC2)nc1 ZINC000474021304 564261455 /nfs/dbraw/zinc/26/14/55/564261455.db2.gz KZGRAAOPSIFBNG-UHFFFAOYSA-N 1 0 391.313 2.716 20 0 GFADRO C[C@H](CNC(=O)N(C)CC[N@H+](C)C1CC1)Oc1cccc(Br)c1 ZINC000474025877 564261566 /nfs/dbraw/zinc/26/15/66/564261566.db2.gz YBTJNBCFUCDOQL-CYBMUJFWSA-N 1 0 384.318 2.952 20 0 GFADRO O=S(=O)(Cc1ccc(Br)c(F)c1)NC1CC[NH+](C2CC2)CC1 ZINC000451010171 564263227 /nfs/dbraw/zinc/26/32/27/564263227.db2.gz NWHKQTODIQVUEC-UHFFFAOYSA-N 1 0 391.306 2.634 20 0 GFADRO Cc1c(Br)cccc1S(=O)(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000474136881 564266758 /nfs/dbraw/zinc/26/67/58/564266758.db2.gz WBAZBYCREUJZND-DGCLKSJQSA-N 1 0 375.332 2.861 20 0 GFADRO COCCN(C)C[C@H](O)C[NH+]1CCC(c2cccc(Br)c2)CC1 ZINC000565164232 564268309 /nfs/dbraw/zinc/26/83/09/564268309.db2.gz MJOASMUNQBGMLF-SFHVURJKSA-N 1 0 385.346 2.568 20 0 GFADRO CN(Cc1cc(Br)ccc1F)C(=O)c1ccn(CC[NH+](C)C)n1 ZINC000565178444 564269867 /nfs/dbraw/zinc/26/98/67/564269867.db2.gz QJLOHSRZICSNKR-UHFFFAOYSA-N 1 0 383.265 2.619 20 0 GFADRO C[C@H]1CN(C[C@H](O)COc2ccc(Br)cc2)CC[N@@H+](C2CC2)C1 ZINC000451079589 564270772 /nfs/dbraw/zinc/27/07/72/564270772.db2.gz IFPYMJPUEKADJU-YOEHRIQHSA-N 1 0 383.330 2.605 20 0 GFADRO Cc1c(Br)scc1C(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C ZINC000474215594 564270802 /nfs/dbraw/zinc/27/08/02/564270802.db2.gz JIGUBZSFOTYVOY-JTQLQIEISA-N 1 0 375.332 2.736 20 0 GFADRO C[C@H](CNS(=O)(=O)Cc1ccc(Br)c(F)c1)C[NH+]1CCCC1 ZINC000451093335 564273319 /nfs/dbraw/zinc/27/33/19/564273319.db2.gz YDNPQXBBNMPZEO-GFCCVEGCSA-N 1 0 393.322 2.740 20 0 GFADRO Cn1c(-c2ccc(Br)cc2)nnc1N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000508782019 564273266 /nfs/dbraw/zinc/27/32/66/564273266.db2.gz IQCCVUVBUSSZPT-HNNXBMFYSA-N 1 0 376.302 2.919 20 0 GFADRO Cc1csc(C(=O)NCC[C@@H]2CCC[NH2+]C2)c1I ZINC000565299626 564274577 /nfs/dbraw/zinc/27/45/77/564274577.db2.gz XUFFRWUFJWLZKV-JTQLQIEISA-N 1 0 378.279 2.781 20 0 GFADRO C[NH+](C)CC[C@H](NS(=O)(=O)c1ccc(OCC(F)F)cc1)C(C)(C)C ZINC000541323118 564275173 /nfs/dbraw/zinc/27/51/73/564275173.db2.gz DYGPTCOFQQTPSV-HNNXBMFYSA-N 1 0 378.485 2.975 20 0 GFADRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N[C@H](C)c2ncc(Br)cn2)C1 ZINC000565340726 564276549 /nfs/dbraw/zinc/27/65/49/564276549.db2.gz BJYVRMODQWIRGM-OLZOCXBDSA-N 1 0 384.322 2.577 20 0 GFADRO C[NH+](C)CCN(Cc1cccc(F)c1)S(=O)(=O)C[C@@H]1CCCC1(F)F ZINC000451130278 564278963 /nfs/dbraw/zinc/27/89/63/564278963.db2.gz LYKGOPZDWMJECX-HNNXBMFYSA-N 1 0 378.460 2.955 20 0 GFADRO Cc1cc(Br)cc2c(C(=O)NCC3(O)CC[NH+](C)CC3)coc21 ZINC000474544404 564281869 /nfs/dbraw/zinc/28/18/69/564281869.db2.gz VXUJUXSMKHJITR-UHFFFAOYSA-N 1 0 381.270 2.690 20 0 GFADRO COC(=O)C(C)(C)CC[NH2+]CCCNC(=O)c1ccc(Br)cc1 ZINC000474601876 564282301 /nfs/dbraw/zinc/28/23/01/564282301.db2.gz MJBYXYWAJYWEOB-UHFFFAOYSA-N 1 0 385.302 2.748 20 0 GFADRO CC[NH+]1CCC(N(C)C(=O)CCCS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000509153442 564283218 /nfs/dbraw/zinc/28/32/18/564283218.db2.gz PMOYHLOZULRENW-UHFFFAOYSA-N 1 0 386.945 2.837 20 0 GFADRO NC(=O)C1CC[NH+](C[C@@H](NCc2nccs2)c2ccc(Cl)cc2)CC1 ZINC000541550546 564283524 /nfs/dbraw/zinc/28/35/24/564283524.db2.gz WNWBQZMUQMBUQQ-MRXNPFEDSA-N 1 0 378.929 2.825 20 0 GFADRO COCCOCC[N@@H+]1CC[C@@H](Cc2cccc(I)c2)C1 ZINC000451184934 564284640 /nfs/dbraw/zinc/28/46/40/564284640.db2.gz BJPWHFNYXRUYRH-HNNXBMFYSA-N 1 0 389.277 2.819 20 0 GFADRO C[NH+](C)C1(CNS(=O)(=O)c2sc3ccccc3c2Cl)CCOCC1 ZINC000451199178 564286127 /nfs/dbraw/zinc/28/61/27/564286127.db2.gz HBUHNYOCGGXPNO-UHFFFAOYSA-N 1 0 388.942 2.944 20 0 GFADRO CCOc1c(Br)cc(C[NH2+]CCN2C[C@H]3CC[C@@H](C2)O3)cc1OC ZINC000451222672 564288566 /nfs/dbraw/zinc/28/85/66/564288566.db2.gz NCRPEOHWIUMMHQ-GASCZTMLSA-N 1 0 399.329 2.809 20 0 GFADRO C[C@@H]([NH2+][C@H]1CCC1(C)C)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000565664162 564290012 /nfs/dbraw/zinc/29/00/12/564290012.db2.gz FUENZRLQGSXLFN-ABAIWWIYSA-N 1 0 387.933 2.696 20 0 GFADRO CC[C@H]1C[N@H+](C)CCN1C(=O)[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000565679074 564290717 /nfs/dbraw/zinc/29/07/17/564290717.db2.gz QFJPENBGYQHCEV-GXTWGEPZSA-N 1 0 384.307 2.899 20 0 GFADRO O=S(=O)(c1ccccc1)N1CC[C@H]([NH2+]Cc2cnc(C3CCC3)s2)C1 ZINC000565737934 564293511 /nfs/dbraw/zinc/29/35/11/564293511.db2.gz PWZHMGCKNACIJY-HNNXBMFYSA-N 1 0 377.535 2.963 20 0 GFADRO C[C@H](NC(=O)c1cc(=O)c2cc(Br)ccc2[nH]1)C1=CC[N@H+](C)CC1 ZINC000541896993 564293926 /nfs/dbraw/zinc/29/39/26/564293926.db2.gz BESIRUMGDYLMCY-NSHDSACASA-N 1 0 390.281 2.671 20 0 GFADRO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NS(=O)(=O)Cc2ccc(Br)c(F)c2)C1 ZINC000451275918 564293959 /nfs/dbraw/zinc/29/39/59/564293959.db2.gz YSXQTXMJZCMFDL-ABAIWWIYSA-N 1 0 393.322 2.736 20 0 GFADRO COc1cc(Br)c(C(=O)NC[C@@H]2CC[N@@H+](C(C)C)C2)cc1OC ZINC000565756247 564294844 /nfs/dbraw/zinc/29/48/44/564294844.db2.gz NXQROYXTDZUUDZ-LBPRGKRZSA-N 1 0 385.302 2.926 20 0 GFADRO Cc1cc(C)c(C(=O)NC[C@@H](C2CC2)[NH+](C)C)cc1I ZINC000474953794 564295781 /nfs/dbraw/zinc/29/57/81/564295781.db2.gz MTKFTDRPFRPMIV-HNNXBMFYSA-N 1 0 386.277 2.978 20 0 GFADRO CC[NH+](CC)[C@H]1CCN(S(=O)(=O)c2cc(C(=O)OC)cc(Cl)c2C)C1 ZINC000451281948 564295843 /nfs/dbraw/zinc/29/58/43/564295843.db2.gz KKJUGCOLLKROAS-AWEZNQCLSA-N 1 0 388.917 2.540 20 0 GFADRO C[NH+](C)CCCOC1CCN(S(=O)(=O)C[C@H]2CCCCC2(F)F)CC1 ZINC000451283623 564296154 /nfs/dbraw/zinc/29/61/54/564296154.db2.gz IEFGVMMSTXTFCH-OAHLLOKOSA-N 1 0 382.517 2.574 20 0 GFADRO C[NH+]1CCC(O)(CNC(=O)c2cc(Br)cc3ccccc32)CC1 ZINC000474985217 564296563 /nfs/dbraw/zinc/29/65/63/564296563.db2.gz SXLRYZYBJRKMIA-UHFFFAOYSA-N 1 0 377.282 2.789 20 0 GFADRO CC(C)N(CC(F)(F)F)C(=O)C[NH2+][C@H](CO)c1ccc(Br)cc1 ZINC000541980177 564297286 /nfs/dbraw/zinc/29/72/86/564297286.db2.gz CLYJMWMNAQOPBE-CYBMUJFWSA-N 1 0 397.235 2.871 20 0 GFADRO O=[S@](CC[N@@H+]1C[C@H](O)C[C@H]1[C@@H]1CCCOC1)c1cc(Cl)ccc1Cl ZINC000451297611 564297894 /nfs/dbraw/zinc/29/78/94/564297894.db2.gz HIQUFTJYPYJPBB-YBTYTZCJSA-N 1 0 392.348 2.963 20 0 GFADRO CCN(C)C(=O)[C@@H]([NH2+]C[C@@H](O)COc1c(Cl)cccc1Cl)C(C)C ZINC000451315581 564299978 /nfs/dbraw/zinc/29/99/78/564299978.db2.gz RIPGVEDZNGXYSQ-DOMZBBRYSA-N 1 0 377.312 2.826 20 0 GFADRO CCS(=O)(=O)C[C@@H](C)[NH2+]C[C@H](O)COc1cc(C)c(Cl)cc1C(C)C ZINC000565888464 564300923 /nfs/dbraw/zinc/30/09/23/564300923.db2.gz MLXIMNYJOXVMDD-CABCVRRESA-N 1 0 391.961 2.924 20 0 GFADRO COc1cc(Br)ccc1CCC[N@@H+]1CCC[C@]2(CNC(=O)C2)C1 ZINC000542209988 564304779 /nfs/dbraw/zinc/30/47/79/564304779.db2.gz RERYCXWRVFHGCP-SFHVURJKSA-N 1 0 381.314 2.992 20 0 GFADRO NC(=O)[C@H](Cc1ccc(F)cc1)[NH2+]CCc1ccc(F)c(Br)c1 ZINC000542235007 564305743 /nfs/dbraw/zinc/30/57/43/564305743.db2.gz PEPXEZZLEOEYNG-INIZCTEOSA-N 1 0 383.236 2.956 20 0 GFADRO C[C@H]1C[N@H+](C)[C@@H](C)CN1C(=O)c1cc(=O)[nH]c2ccc(Br)cc21 ZINC000509623636 564305969 /nfs/dbraw/zinc/30/59/69/564305969.db2.gz FHLTZJUNQGYFJV-QWRGUYRKSA-N 1 0 378.270 2.868 20 0 GFADRO CCC[N@H+](C)[C@H](CNS(=O)(=O)c1cn(C)c(C)n1)c1ccc(Cl)cc1 ZINC000509617736 564306013 /nfs/dbraw/zinc/30/60/13/564306013.db2.gz AZLXRFPGGFPLGM-MRXNPFEDSA-N 1 0 384.933 2.743 20 0 GFADRO O[C@@H]1CC[C@@H]2C[N@H+](CCCOc3cccc(I)c3)C[C@@H]12 ZINC000542245712 564307006 /nfs/dbraw/zinc/30/70/06/564307006.db2.gz PXFQRLJYMATAKF-DAXOMENPSA-N 1 0 387.261 2.763 20 0 GFADRO COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]CC1(S(C)(=O)=O)CCC1 ZINC000475427628 564308042 /nfs/dbraw/zinc/30/80/42/564308042.db2.gz HIUMQKHDWYBLLY-LBPRGKRZSA-N 1 0 388.917 2.623 20 0 GFADRO O=C(c1cc(F)cc(Br)c1)N1CC[C@@H](OCC[NH+]2CCCC2)C1 ZINC000475442188 564308960 /nfs/dbraw/zinc/30/89/60/564308960.db2.gz FODBKAVZFVORQD-MRXNPFEDSA-N 1 0 385.277 2.915 20 0 GFADRO C[C@@H]1CN(C(=O)c2cc(=O)[nH]c3c(Br)cccc23)[C@@H](C)C[N@@H+]1C ZINC000509670210 564309069 /nfs/dbraw/zinc/30/90/69/564309069.db2.gz ZJOVTFBFUFIYEQ-MNOVXSKESA-N 1 0 378.270 2.868 20 0 GFADRO COC[C@@]1(CNC(=O)c2ccn(-c3ccc(Cl)cc3Cl)n2)CCC[NH2+]1 ZINC000566101984 564309328 /nfs/dbraw/zinc/30/93/28/564309328.db2.gz BXOFJJNEYSRXFP-KRWDZBQOSA-N 1 0 383.279 2.678 20 0 GFADRO COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)NC1(C[NH+](C)C)CCC1 ZINC000509709430 564310044 /nfs/dbraw/zinc/31/00/44/564310044.db2.gz DLFGZOXDHNZOSX-UHFFFAOYSA-N 1 0 395.308 2.543 20 0 GFADRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)C(=O)Nc1ccc(F)cc1Br ZINC000509770492 564312627 /nfs/dbraw/zinc/31/26/27/564312627.db2.gz KINPDNZYQWJSPO-NHYWBVRUSA-N 1 0 398.276 2.612 20 0 GFADRO CC[NH+](CC)[C@@H](CNS(=O)(=O)NC1CC1)c1ccc(C(F)(F)F)cc1 ZINC000475594474 564313388 /nfs/dbraw/zinc/31/33/88/564313388.db2.gz YNMQNFWPNYTOQU-HNNXBMFYSA-N 1 0 379.448 2.675 20 0 GFADRO C[C@H](CC(=O)N(C)C)[NH2+]Cc1ccc(I)cc1Cl ZINC000475618641 564313409 /nfs/dbraw/zinc/31/34/09/564313409.db2.gz CJNDXJCTHMASBG-SECBINFHSA-N 1 0 380.657 2.901 20 0 GFADRO Cc1ncsc1CCS(=O)(=O)N[C@H](C)[C@H](c1ccccc1C)[NH+](C)C ZINC000451453665 564315171 /nfs/dbraw/zinc/31/51/71/564315171.db2.gz OGWSBSYNWQYUQE-CRAIPNDOSA-N 1 0 381.567 2.913 20 0 GFADRO O=C(NCCNc1cccc(Br)c1)c1ccc2c(c1)CC[NH2+]CC2 ZINC000566188449 564315291 /nfs/dbraw/zinc/31/52/91/564315291.db2.gz MNRVWZONXPGCGP-UHFFFAOYSA-N 1 0 388.309 2.979 20 0 GFADRO C[NH2+][C@H](C(=O)N(C)C[C@@H](C)Oc1ccc(Cl)c(Cl)c1)c1cnn(C)c1 ZINC000566196656 564316036 /nfs/dbraw/zinc/31/60/36/564316036.db2.gz UNMILCGUMWVEEO-BZNIZROVSA-N 1 0 385.295 2.913 20 0 GFADRO CCO[C@H]1C[C@@]([NH3+])(C(=O)Nc2cnc3c(Br)cccn23)C1(C)C ZINC000566197348 564316266 /nfs/dbraw/zinc/31/62/66/564316266.db2.gz XEHUWFBTSNKCMO-MEDUHNTESA-N 1 0 381.274 2.568 20 0 GFADRO O=C(NCCC[C@H]1CCC[NH2+]1)[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000566212376 564317523 /nfs/dbraw/zinc/31/75/23/564317523.db2.gz SQVZOUNUHKFPKM-OCCSQVGLSA-N 1 0 384.307 2.995 20 0 GFADRO [NH3+]C[C@H]1CN(Cc2c(F)ccc(Br)c2F)CC12CCOCC2 ZINC000566230104 564318385 /nfs/dbraw/zinc/31/83/85/564318385.db2.gz HOBMYMZVGKVLQH-NSHDSACASA-N 1 0 375.257 2.915 20 0 GFADRO O[C@H](C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2)COc1ccc(Br)cc1 ZINC000451503502 564320013 /nfs/dbraw/zinc/32/00/13/564320013.db2.gz QNINMCOTCDYRJF-DZUCGIPZSA-N 1 0 382.298 2.736 20 0 GFADRO O=C(NCCCC[N@H+]1CCC[C@H]1CO)[C@@H]1CCc2cc(Br)ccc21 ZINC000566284096 564320885 /nfs/dbraw/zinc/32/08/85/564320885.db2.gz RKRWYWZDQCWHCS-FUHWJXTLSA-N 1 0 395.341 2.832 20 0 GFADRO COC(=O)C[C@@H]1CSCC[N@@H+]1C[C@H](O)COc1c(Cl)cccc1Cl ZINC000475880544 564323387 /nfs/dbraw/zinc/32/33/87/564323387.db2.gz LOHCFGGVZIRXSK-NEPJUHHUSA-N 1 0 394.320 2.714 20 0 GFADRO COC(=O)C[C@@H]1CSCC[N@@H+]1CCOc1ccc(OC(F)(F)F)cc1 ZINC000475894327 564323720 /nfs/dbraw/zinc/32/37/20/564323720.db2.gz FCKPKUAPIAMWLX-GFCCVEGCSA-N 1 0 379.400 2.945 20 0 GFADRO CC[NH+](CC)CCOCCNS(=O)(=O)c1ccc(OC)c(Cl)c1Cl ZINC000542760773 564324955 /nfs/dbraw/zinc/32/49/55/564324955.db2.gz SCYXOQNXRCCLJW-UHFFFAOYSA-N 1 0 399.340 2.639 20 0 GFADRO C[C@@H](CNC(=O)N[C@H](CCO)c1ccccc1Br)C[NH+]1CCCC1 ZINC000542892814 564330685 /nfs/dbraw/zinc/33/06/85/564330685.db2.gz CCIIMGKRYJTRAP-WMLDXEAASA-N 1 0 398.345 2.904 20 0 GFADRO C[C@@H](CNC(=O)N[C@@H](CCO)c1ccccc1Br)[N@H+](C)C1CC1 ZINC000542897667 564330816 /nfs/dbraw/zinc/33/08/16/564330816.db2.gz JQZLWNNPQRUITB-LRDDRELGSA-N 1 0 384.318 2.655 20 0 GFADRO C[C@H](Oc1ccc(Cl)cc1Br)C(=O)N1CCNC[C@@H]1C(F)F ZINC000566556526 564331371 /nfs/dbraw/zinc/33/13/71/564331371.db2.gz RIWZFBXDXOAYIW-GZMMTYOYSA-N 1 0 397.647 2.935 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(Cc3noc(Cc4ccc(Br)cc4)n3)C[C@@H]21 ZINC000451636047 564334055 /nfs/dbraw/zinc/33/40/55/564334055.db2.gz VIVBXHUDSTZDOR-HIFRSBDPSA-N 1 0 377.286 2.559 20 0 GFADRO CCc1sc(C(=O)NC[C@H](O)C[NH+]2CCC(C)CC2)cc1Br ZINC000476319668 564334087 /nfs/dbraw/zinc/33/40/87/564334087.db2.gz DLSZNPMDMDUOBV-LBPRGKRZSA-N 1 0 389.359 2.896 20 0 GFADRO CS[C@@H]1CN(C(=O)C2(c3ccccc3Br)CC2)C[C@H]1[NH+](C)C ZINC000476332245 564335383 /nfs/dbraw/zinc/33/53/83/564335383.db2.gz KCMTXYUOUFEWLI-HUUCEWRRSA-N 1 0 383.355 2.985 20 0 GFADRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1S(=O)(=O)c1ccc(Br)s1 ZINC000510503460 564336814 /nfs/dbraw/zinc/33/68/14/564336814.db2.gz UEWLEAIIQYPLPL-QWRGUYRKSA-N 1 0 379.345 2.758 20 0 GFADRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(Br)cc2-n2cncn2)C1 ZINC000566663063 564337185 /nfs/dbraw/zinc/33/71/85/564337185.db2.gz DIOBAROCMKTQPI-CQSZACIVSA-N 1 0 392.301 2.585 20 0 GFADRO C[C@@H]1Cc2cc(S(=O)(=O)N3C[C@H]([NH+]4CCCC4)C[C@@H]3C)cc(Cl)c2O1 ZINC000510537732 564337616 /nfs/dbraw/zinc/33/76/16/564337616.db2.gz JMTSGWINLVSVEX-GZBFAFLISA-N 1 0 384.929 2.911 20 0 GFADRO COc1ccc(C(=O)Nc2nc3c(s2)C[C@@H]([NH3+])CC3)c(Br)c1 ZINC000566676958 564338392 /nfs/dbraw/zinc/33/83/92/564338392.db2.gz GVYNZBVBMUPQLJ-QMMMGPOBSA-N 1 0 382.283 2.983 20 0 GFADRO COc1ncc([C@@H](C)[NH2+]CCNS(=O)(=O)c2ccc(C)cc2)cc1Cl ZINC000566730305 564340149 /nfs/dbraw/zinc/34/01/49/564340149.db2.gz ZEUWENYPWLWJIU-CYBMUJFWSA-N 1 0 383.901 2.681 20 0 GFADRO CS[C@@H]1CN(C(=O)c2c(C)nc3ccc(Br)cn32)C[C@@H]1[NH+](C)C ZINC000476459644 564340533 /nfs/dbraw/zinc/34/05/33/564340533.db2.gz OFEDTHSDYHCAQA-QWHCGFSZSA-N 1 0 397.342 2.523 20 0 GFADRO CS[C@H]1CN(C(=O)c2c(C)nc3ccc(Br)cn32)C[C@@H]1[NH+](C)C ZINC000476459646 564340927 /nfs/dbraw/zinc/34/09/27/564340927.db2.gz OFEDTHSDYHCAQA-STQMWFEESA-N 1 0 397.342 2.523 20 0 GFADRO CN(C)C(=O)[C@H]1CCCN1CCC[NH2+][C@H]1CCc2ccc(Br)cc21 ZINC000510656939 564342094 /nfs/dbraw/zinc/34/20/94/564342094.db2.gz NQIIJHBIAWKJFF-ZWKOTPCHSA-N 1 0 394.357 2.969 20 0 GFADRO CCN(CC)S(=O)(=O)CC[NH2+][C@H]1CCc2ccc(Br)cc21 ZINC000510756060 564345588 /nfs/dbraw/zinc/34/55/88/564345588.db2.gz YOBJQWHOTCTZOE-HNNXBMFYSA-N 1 0 375.332 2.698 20 0 GFADRO CS(=O)(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCOc1ccccc1C(F)(F)F ZINC000510761931 564346330 /nfs/dbraw/zinc/34/63/30/564346330.db2.gz JCDMSCBSWRRPHO-ZIAGYGMSSA-N 1 0 380.432 2.534 20 0 GFADRO O=C(NCC[NH2+]C[C@@H](O)COc1cc(Cl)ccc1Cl)c1ccccc1 ZINC000566850532 564346860 /nfs/dbraw/zinc/34/68/60/564346860.db2.gz FVWNGPMXMYSSKY-OAHLLOKOSA-N 1 0 383.275 2.753 20 0 GFADRO CS(=O)(=O)N[C@H]1CCCC[C@H]1[NH2+]Cc1ccccc1OCC(F)(F)F ZINC000510762104 564347000 /nfs/dbraw/zinc/34/70/00/564347000.db2.gz HROHJPFBGLDLLW-KGLIPLIRSA-N 1 0 380.432 2.578 20 0 GFADRO CC[NH+]1CCN(CC(=O)Nc2cnn(-c3ccc(Cl)cc3Cl)c2)CC1 ZINC000476665044 564350154 /nfs/dbraw/zinc/35/01/54/564350154.db2.gz VJXTWUXBDMTAJQ-UHFFFAOYSA-N 1 0 382.295 2.755 20 0 GFADRO Cc1ncc([C@H](C)[NH2+]CCNS(=O)(=O)c2ccc(F)cc2Cl)c(C)n1 ZINC000510983211 564352693 /nfs/dbraw/zinc/35/26/93/564352693.db2.gz HBOBDZKTDYTSEH-JTQLQIEISA-N 1 0 386.880 2.515 20 0 GFADRO O=C([C@@H]1CCc2cc(Br)ccc21)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000566976888 564352760 /nfs/dbraw/zinc/35/27/60/564352760.db2.gz PXICJZZEVWPMEC-RDTXWAMCSA-N 1 0 393.325 2.660 20 0 GFADRO COc1cc(OC)c(S(=O)(=O)NCc2ccc([C@@H](C)[NH3+])cc2)cc1Cl ZINC000567047903 564355381 /nfs/dbraw/zinc/35/53/81/564355381.db2.gz AFBIVZXRTFRRJN-LLVKDONJSA-N 1 0 384.885 2.855 20 0 GFADRO CN(C[C@H]1CCC[N@H+](Cc2c(Cl)ccc3cccnc32)C1)S(C)(=O)=O ZINC000511081409 564356706 /nfs/dbraw/zinc/35/67/06/564356706.db2.gz MXKBVNFPVLOPAA-CQSZACIVSA-N 1 0 381.929 2.992 20 0 GFADRO CC[C@H](C)[NH+]1CCN([C@H]2CCN(c3cccc(Br)c3)C2=O)CC1 ZINC000451831813 564356869 /nfs/dbraw/zinc/35/68/69/564356869.db2.gz BCAQUEXRAXHDHF-YOEHRIQHSA-N 1 0 380.330 2.971 20 0 GFADRO CCn1nc(C)c(C[NH2+]C[C@H](O)COc2cccc(Br)c2)c1C ZINC000567103467 564357549 /nfs/dbraw/zinc/35/75/49/564357549.db2.gz DKXGHRBECOVJEL-HNNXBMFYSA-N 1 0 382.302 2.812 20 0 GFADRO C[C@@H]1CCC[C@](CNC(=O)c2c(Cl)cccc2S(C)(=O)=O)([NH+](C)C)C1 ZINC000476907356 564358471 /nfs/dbraw/zinc/35/84/71/564358471.db2.gz PURHWHWSRUPBBS-ACJLOTCBSA-N 1 0 386.945 2.984 20 0 GFADRO CC[NH+](CC)CCOC1CCN(C(=O)c2ccncc2Br)CC1 ZINC000476971305 564360389 /nfs/dbraw/zinc/36/03/89/564360389.db2.gz RQVQOTLPONWLJF-UHFFFAOYSA-N 1 0 384.318 2.807 20 0 GFADRO C[C@@H]1C[C@@H](N2CCOCC2)CN1S(=O)(=O)Cc1c(Cl)cccc1Cl ZINC000511226260 564363234 /nfs/dbraw/zinc/36/32/34/564363234.db2.gz YAZSXCFVZZCKDM-CHWSQXEVSA-N 1 0 393.336 2.618 20 0 GFADRO CCN1CCN(S(=O)(=O)c2cccc(Cl)c2Br)[C@H](C)C1 ZINC000511225254 564363266 /nfs/dbraw/zinc/36/32/66/564363266.db2.gz SAAYAKIIAJUYBH-SNVBAGLBSA-N 1 0 381.723 2.817 20 0 GFADRO CCc1ccc([C@H](CO)[NH2+]CC(=O)Nc2ccc(Br)cn2)cc1 ZINC000543811513 564364554 /nfs/dbraw/zinc/36/45/54/564364554.db2.gz RWEMYNLOGAPIMJ-HNNXBMFYSA-N 1 0 378.270 2.668 20 0 GFADRO CC[C@@H](C)[N@H+](C)CCNC(=O)N[C@@H](CCO)c1ccccc1Br ZINC000543824014 564364678 /nfs/dbraw/zinc/36/46/78/564364678.db2.gz WUOKUPWTICKOBQ-CJNGLKHVSA-N 1 0 386.334 2.902 20 0 GFADRO O=C(CCCCCc1cccs1)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000511259653 564364884 /nfs/dbraw/zinc/36/48/84/564364884.db2.gz KJSRVMWFWXBUPF-HNNXBMFYSA-N 1 0 377.476 2.803 20 0 GFADRO C[C@H](c1cccc(Br)c1)N1CC[NH+]([C@@H]2CCNC(=O)CC2)CC1 ZINC000451914134 564366542 /nfs/dbraw/zinc/36/65/42/564366542.db2.gz DGNYFJLWLPBALM-PBHICJAKSA-N 1 0 380.330 2.796 20 0 GFADRO O=C(NCCSCc1ccc(Cl)cc1Cl)N1CCOC2(C[NH2+]C2)C1 ZINC000567336693 564367163 /nfs/dbraw/zinc/36/71/63/564367163.db2.gz VVNAHKXAESPIFT-UHFFFAOYSA-N 1 0 390.336 2.610 20 0 GFADRO C[NH2+]C[C@H]1CCCN(S(=O)(=O)c2cc(C)c(Br)cc2F)C1 ZINC000567351475 564368321 /nfs/dbraw/zinc/36/83/21/564368321.db2.gz PMYBXRPEFAFNSD-LLVKDONJSA-N 1 0 379.295 2.517 20 0 GFADRO CC(C)C[C@H](C[NH3+])NC(=O)Nc1ccc(I)cc1F ZINC000567408875 564369744 /nfs/dbraw/zinc/36/97/44/564369744.db2.gz HFYZXCVEKYCKMI-SNVBAGLBSA-N 1 0 379.217 2.925 20 0 GFADRO CCCC[N@H+](C)CCNC(=O)c1ccc(F)c(I)c1 ZINC000477233390 564369840 /nfs/dbraw/zinc/36/98/40/564369840.db2.gz MWCUCDPFMRMTQO-UHFFFAOYSA-N 1 0 378.229 2.892 20 0 GFADRO CCO[C@@H]1COC[C@H]1[NH2+][C@@H](C)C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl ZINC000451945177 564371240 /nfs/dbraw/zinc/37/12/40/564371240.db2.gz SRIJKPBVXUSABP-DPDCMNJDSA-N 1 0 375.296 2.953 20 0 GFADRO C[NH+](C)[C@@H]1CCCN(S(=O)(=O)Cc2cc(Cl)ccc2Br)C1 ZINC000567467060 564372636 /nfs/dbraw/zinc/37/26/36/564372636.db2.gz NXSKZPOICRMPGH-CYBMUJFWSA-N 1 0 395.750 2.958 20 0 GFADRO O=C([C@H]1C[C@]12CC[NH2+]C2)N1CCC(Oc2cccc(Br)c2)CC1 ZINC000567468908 564372876 /nfs/dbraw/zinc/37/28/76/564372876.db2.gz GBUGASXPYCRAIO-AEFFLSMTSA-N 1 0 379.298 2.819 20 0 GFADRO O=C(COC1C[NH2+]C1)N(Cc1ccc(Cl)c(Cl)c1)Cc1ccccn1 ZINC000567472561 564373048 /nfs/dbraw/zinc/37/30/48/564373048.db2.gz HGZTZJDINCEBLT-UHFFFAOYSA-N 1 0 380.275 2.906 20 0 GFADRO Cc1ccc(I)cc1C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000477326439 564373538 /nfs/dbraw/zinc/37/35/38/564373538.db2.gz UMXUXTQIMRMASU-HUUCEWRRSA-N 1 0 384.261 2.956 20 0 GFADRO CN(C)C(=O)N[C@H]1CCC[N@H+](CCC(=O)Nc2ccc(Br)cc2)C1 ZINC000451982054 564374987 /nfs/dbraw/zinc/37/49/87/564374987.db2.gz BIBIOXHKCJRXES-HNNXBMFYSA-N 1 0 397.317 2.513 20 0 GFADRO C[NH+](C)[C@@]1(CNC(=O)NCc2ccsc2Br)CCSC1 ZINC000511540648 564375044 /nfs/dbraw/zinc/37/50/44/564375044.db2.gz OWKRYAWXJRNDCK-CYBMUJFWSA-N 1 0 378.361 2.747 20 0 GFADRO CCS(=O)(=O)NCCC[NH2+][C@@H](c1cccc(OC(F)(F)F)c1)C1CC1 ZINC000511579779 564376801 /nfs/dbraw/zinc/37/68/01/564376801.db2.gz VXUFKFMIILPIID-OAHLLOKOSA-N 1 0 380.432 2.955 20 0 GFADRO CN(C)Cc1cnc(C[NH2+]C[C@H](CO)Cc2cccc(Br)c2)s1 ZINC000511783415 564382084 /nfs/dbraw/zinc/38/20/84/564382084.db2.gz CLNLOYXATXITEY-CQSZACIVSA-N 1 0 398.370 2.908 20 0 GFADRO CS[C@H]1CN(C(=O)Cc2nc(-c3ccc(F)cc3)cs2)C[C@H]1[NH+](C)C ZINC000477712465 564384594 /nfs/dbraw/zinc/38/45/94/564384594.db2.gz MQUWCTKBLBODAR-CVEARBPZSA-N 1 0 379.526 2.996 20 0 GFADRO CC[C@@H](CO)[NH+]1CCN([C@@H](C(=O)OC)c2cc(Cl)cc(Cl)c2)CC1 ZINC000477764454 564386356 /nfs/dbraw/zinc/38/63/56/564386356.db2.gz LBPLOZFSEMPZQH-JKSUJKDBSA-N 1 0 375.296 2.596 20 0 GFADRO CC[C@@H](CO)[NH+]1CCN([C@H](C(=O)OC)c2cc(Cl)cc(Cl)c2)CC1 ZINC000477764451 564386548 /nfs/dbraw/zinc/38/65/48/564386548.db2.gz LBPLOZFSEMPZQH-HOTGVXAUSA-N 1 0 375.296 2.596 20 0 GFADRO C[C@H](O)C[N@@H+]1CCN(c2cc(C(F)(F)F)c(Br)cn2)C[C@@H]1C ZINC000567751997 564387161 /nfs/dbraw/zinc/38/71/61/564387161.db2.gz VJOHSTBHWSPAMI-UWVGGRQHSA-N 1 0 382.224 2.754 20 0 GFADRO Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)[NH2+]CCN1CCCS1(=O)=O ZINC000544483522 564387989 /nfs/dbraw/zinc/38/79/89/564387989.db2.gz MADYRVUZSAYBCI-GFCCVEGCSA-N 1 0 383.514 2.944 20 0 GFADRO O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000567785793 564388255 /nfs/dbraw/zinc/38/82/55/564388255.db2.gz RBWHWDXCDPJDOE-JKSUJKDBSA-N 1 0 384.307 2.915 20 0 GFADRO O=S(=O)(CC[NH2+][C@H]1CCCc2c(Cl)cccc21)NC[C@@H]1CCCCO1 ZINC000544575945 564388651 /nfs/dbraw/zinc/38/86/51/564388651.db2.gz JBLGCKVPJPXMPY-KSSFIOAISA-N 1 0 386.945 2.796 20 0 GFADRO O=C(Nc1nnc(SCc2cccs2)s1)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O ZINC000567786848 564388617 /nfs/dbraw/zinc/38/86/17/564388617.db2.gz MFNSSYPFOYZNOX-FGWVZKOKSA-N 1 0 394.547 2.645 20 0 GFADRO CCS(=O)(=O)C[C@@H](C)[NH2+]Cc1cccc(-c2nc(C(=O)OC)cs2)c1 ZINC000477864203 564389897 /nfs/dbraw/zinc/38/98/97/564389897.db2.gz TWJJZDSICBXCJN-GFCCVEGCSA-N 1 0 382.507 2.510 20 0 GFADRO Cc1cc(Br)c(S(=O)(=O)NC(C)(C)C[NH+]2CCCC2)s1 ZINC000452093615 564391134 /nfs/dbraw/zinc/39/11/34/564391134.db2.gz YAGHXOPXUWDPMB-UHFFFAOYSA-N 1 0 381.361 2.972 20 0 GFADRO C[C@H]1CSC[C@@H]1[NH2+]CC(=O)Nc1ccc(I)cc1 ZINC000512182597 564394944 /nfs/dbraw/zinc/39/49/44/564394944.db2.gz FBCWJKUIACGPPJ-CABZTGNLSA-N 1 0 376.263 2.571 20 0 GFADRO C[C@@H]1CSC[C@@H]1[NH2+]CC(=O)Nc1ccc(I)cc1 ZINC000512182599 564395196 /nfs/dbraw/zinc/39/51/96/564395196.db2.gz FBCWJKUIACGPPJ-SKDRFNHKSA-N 1 0 376.263 2.571 20 0 GFADRO O=C(c1cc(=O)c2cc(Br)ccc2[nH]1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000567914861 564395904 /nfs/dbraw/zinc/39/59/04/564395904.db2.gz VOZMOWRVTYFRTM-GOSISDBHSA-N 1 0 390.281 2.506 20 0 GFADRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)CCc3cccc(F)c3Br)[C@H]2C1 ZINC000452140217 564396092 /nfs/dbraw/zinc/39/60/92/564396092.db2.gz OMJWUGKRVPNMQX-JKSUJKDBSA-N 1 0 399.304 2.842 20 0 GFADRO C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]C[C@@H]1CCCCS1(=O)=O ZINC000567962733 564397405 /nfs/dbraw/zinc/39/74/05/564397405.db2.gz XUJYFBPPDQJXMU-YOEHRIQHSA-N 1 0 386.945 2.634 20 0 GFADRO Fc1ccc(Br)cc1CN1CC[NH+](CCCn2ccnc2)CC1 ZINC000478219602 564397823 /nfs/dbraw/zinc/39/78/23/564397823.db2.gz IMLXXSDFRZJRMJ-UHFFFAOYSA-N 1 0 381.293 2.993 20 0 GFADRO COCC[NH2+]C1CCN(Cc2cc(OC)c(OC)cc2Br)CC1 ZINC000568007770 564400855 /nfs/dbraw/zinc/40/08/55/564400855.db2.gz ZSDJFHQYKOLOLB-UHFFFAOYSA-N 1 0 387.318 2.667 20 0 GFADRO COc1c[nH+]ccc1N1CCN(C(=O)c2cc(Br)ccc2F)CC1 ZINC000478437687 564402451 /nfs/dbraw/zinc/40/24/51/564402451.db2.gz PZXMQMBTFDTYFQ-UHFFFAOYSA-N 1 0 394.244 2.954 20 0 GFADRO C[C@@H](C[NH+](C)C)NC(=O)N1CCC(Nc2cccc(Br)c2)CC1 ZINC000512435832 564402742 /nfs/dbraw/zinc/40/27/42/564402742.db2.gz DHJYCMJGVUASOU-ZDUSSCGKSA-N 1 0 383.334 2.985 20 0 GFADRO O=S(=O)(c1cccs1)N1CC[C@@H](C[NH2+][C@@H]2CCc3ccccc3C2)C1 ZINC000512579569 564406133 /nfs/dbraw/zinc/40/61/33/564406133.db2.gz WANGTXAGFGSNBU-MAUKXSAKSA-N 1 0 376.547 2.906 20 0 GFADRO CCCC[N@H+](C)C[C@@H](C)NS(=O)(=O)c1cc(Cl)ccc1C(=O)OC ZINC000568141762 564406303 /nfs/dbraw/zinc/40/63/03/564406303.db2.gz VRKPYIAATZARLN-GFCCVEGCSA-N 1 0 376.906 2.525 20 0 GFADRO O=C(CSc1cccc(C(F)(F)F)c1)NC[C@H]1CCC[N@H+]1CCCO ZINC000452345592 564406444 /nfs/dbraw/zinc/40/64/44/564406444.db2.gz FLYLBPUJJLZLMP-CQSZACIVSA-N 1 0 376.444 2.761 20 0 GFADRO COC1(C(F)(F)F)CCN(C(=O)C2CC[NH+]([C@H]3CCSC3)CC2)CC1 ZINC000568228282 564410380 /nfs/dbraw/zinc/41/03/80/564410380.db2.gz URDKLVNXLKRRQE-AWEZNQCLSA-N 1 0 380.476 2.774 20 0 GFADRO C[C@@H](Cc1ccc(Br)cc1)C(=O)NC[C@H]1CCCC[N@@H+]1CCO ZINC000452379124 564411240 /nfs/dbraw/zinc/41/12/40/564411240.db2.gz QITANOYGFLBITD-WMLDXEAASA-N 1 0 383.330 2.591 20 0 GFADRO O=C(NC[C@H]1CCCC[N@H+]1CCO)c1cc(Cl)cc(Br)c1 ZINC000452383964 564411265 /nfs/dbraw/zinc/41/12/65/564411265.db2.gz BDCUUKNPBHTAIL-CQSZACIVSA-N 1 0 375.694 2.679 20 0 GFADRO CC(C)Oc1cc(Br)cc(C(=O)N[C@H]2CCC[N@H+](CCCO)C2)c1 ZINC000452380282 564411439 /nfs/dbraw/zinc/41/14/39/564411439.db2.gz FRVWDBNFDZKQEJ-INIZCTEOSA-N 1 0 399.329 2.813 20 0 GFADRO O=C(N[C@@H]1CCC[N@@H+](CCCO)C1)[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000452378667 564411522 /nfs/dbraw/zinc/41/15/22/564411522.db2.gz XCDSYCBVGJQYSA-IXDOHACOSA-N 1 0 381.314 2.516 20 0 GFADRO O=C(NC[C@H]1CCCC[N@H+]1CCO)C1(Cc2ccccc2Br)CC1 ZINC000452382979 564411589 /nfs/dbraw/zinc/41/15/89/564411589.db2.gz ZFOBBZUCDYCMIN-MRXNPFEDSA-N 1 0 395.341 2.735 20 0 GFADRO O=S(=O)(NCCC[NH2+][C@@H]1CCCSC1)c1ccccc1Br ZINC000512852877 564413534 /nfs/dbraw/zinc/41/35/34/564413534.db2.gz YRIQBWCROMGBBK-GFCCVEGCSA-N 1 0 393.372 2.603 20 0 GFADRO Cc1ccc(-c2ncc(C[NH2+]C[C@H]3CCCC[C@H]3NS(C)(=O)=O)s2)o1 ZINC000512849241 564413726 /nfs/dbraw/zinc/41/37/26/564413726.db2.gz CHZLCOQWWHOWGL-UKRRQHHQSA-N 1 0 383.539 2.909 20 0 GFADRO CS(=O)(=O)N[C@H]1CCCC[C@@H]1C[NH2+]Cc1ccc(F)cc1Br ZINC000512849514 564413803 /nfs/dbraw/zinc/41/38/03/564413803.db2.gz FQLISHQTVIIXBZ-DOMZBBRYSA-N 1 0 393.322 2.786 20 0 GFADRO O=S(=O)(NCCC[NH2+]Cc1ccccc1)c1ccccc1Br ZINC000512864670 564414533 /nfs/dbraw/zinc/41/45/33/564414533.db2.gz OLMXBPWEHQBWBD-UHFFFAOYSA-N 1 0 383.311 2.907 20 0 GFADRO COc1cc(C[NH2+]C[C@H]2CCCC[C@@H]2NS(C)(=O)=O)cc(Cl)c1OC ZINC000512862611 564414949 /nfs/dbraw/zinc/41/49/49/564414949.db2.gz VQPJXCGPBVJSOW-HIFRSBDPSA-N 1 0 390.933 2.555 20 0 GFADRO Fc1ccc(C[NH2+]C[C@H](N2CCOCC2)C(F)(F)F)cc1Br ZINC000512978227 564416812 /nfs/dbraw/zinc/41/68/12/564416812.db2.gz ZOTKRZCPTHPOTQ-ZDUSSCGKSA-N 1 0 385.199 2.941 20 0 GFADRO Fc1cc(Br)ccc1C[NH2+]C[C@H](N1CCOCC1)C(F)(F)F ZINC000512976867 564417007 /nfs/dbraw/zinc/41/70/07/564417007.db2.gz BOZGQGKNDDOOMB-ZDUSSCGKSA-N 1 0 385.199 2.941 20 0 GFADRO C[C@@H]1CN(C(=O)[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C[C@H](C)[N@H+]1C ZINC000513103524 564419588 /nfs/dbraw/zinc/41/95/88/564419588.db2.gz WEYSNWAHAWTZIL-MBNYWOFBSA-N 1 0 384.307 2.897 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000478958351 564420103 /nfs/dbraw/zinc/42/01/03/564420103.db2.gz RXCMXKCUDWBKSE-BDJLRTHQSA-N 1 0 394.313 2.549 20 0 GFADRO CCS(=O)(=O)NCCC[NH2+]Cc1cc2cc(Br)ccc2o1 ZINC000568532858 564422870 /nfs/dbraw/zinc/42/28/70/564422870.db2.gz LFZWWTBHJKTPKF-UHFFFAOYSA-N 1 0 375.288 2.614 20 0 GFADRO CCCN(CC[S@@](=O)c1cc(Cl)ccc1Cl)[C@@H]1CC(=O)N(C)C1=O ZINC000568535688 564423411 /nfs/dbraw/zinc/42/34/11/564423411.db2.gz HVSZHLRZPZWQRH-YEBMWUKDSA-N 1 0 391.320 2.570 20 0 GFADRO C[C@@H](CNC(=O)c1ncc(Br)cc1Br)[NH+]1CCCC1 ZINC000545449992 564423472 /nfs/dbraw/zinc/42/34/72/564423472.db2.gz OUOQMTQXWRSBNP-VIFPVBQESA-N 1 0 391.107 2.821 20 0 GFADRO CC(C)[N@H+](C)CCNC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000479061147 564423984 /nfs/dbraw/zinc/42/39/84/564423984.db2.gz CCGUEFSEEMGOIL-SUMWQHHRSA-N 1 0 386.323 2.969 20 0 GFADRO COC[C@@H](C[NH2+]C1CCN(C(=O)c2ccc(Br)cc2C)CC1)OC ZINC000545460883 564424395 /nfs/dbraw/zinc/42/43/95/564424395.db2.gz NWSSMKQGLQMIPE-MRXNPFEDSA-N 1 0 399.329 2.613 20 0 GFADRO CNC(=O)CC[C@@H]1CCCC[N@@H+]1C[C@@H](O)COc1ccc(Br)cc1 ZINC000513211336 564424673 /nfs/dbraw/zinc/42/46/73/564424673.db2.gz WLYRUTVNDFGQNT-JKSUJKDBSA-N 1 0 399.329 2.570 20 0 GFADRO CC[NH+]1CCN(CC(=O)N(Cc2cc(Br)ccc2F)C2CC2)CC1 ZINC000513248073 564425948 /nfs/dbraw/zinc/42/59/48/564425948.db2.gz BCAMZALYYCEIHV-UHFFFAOYSA-N 1 0 398.320 2.717 20 0 GFADRO CCOCCOC[C@H](O)C[NH2+][C@H]1CCSc2ccc(Br)cc21 ZINC000513472923 564430511 /nfs/dbraw/zinc/43/05/11/564430511.db2.gz OIXOUTGSHCUWKY-HIFRSBDPSA-N 1 0 390.343 2.990 20 0 GFADRO C[NH+](C)C[C@@](C)(O)CNC(=O)NCCc1c[nH]c2cc(Cl)cc(Cl)c12 ZINC000479226916 564431792 /nfs/dbraw/zinc/43/17/92/564431792.db2.gz RERQLKGFRTYUAB-KRWDZBQOSA-N 1 0 387.311 2.629 20 0 GFADRO O=C(CCOc1ccc(Cl)c(Cl)c1)NC[C@@H]1CCCC[N@H+]1CCO ZINC000452803811 564432412 /nfs/dbraw/zinc/43/24/12/564432412.db2.gz YGJKRDFQJJOJQK-ZDUSSCGKSA-N 1 0 375.296 2.725 20 0 GFADRO O=C(N[C@@H]1C[C@H]1c1cccc(Br)c1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000568731354 564432642 /nfs/dbraw/zinc/43/26/42/564432642.db2.gz NZHAJHSTKXARRK-HDEZJCGLSA-N 1 0 378.314 2.946 20 0 GFADRO CC1=CC[N@H+](CCNC(=O)c2cccc(F)c2I)CC1 ZINC000545868895 564434819 /nfs/dbraw/zinc/43/48/19/564434819.db2.gz HSCBKGNNVWSWAN-UHFFFAOYSA-N 1 0 388.224 2.812 20 0 GFADRO Cc1cc(CNC(=O)N(C)CCC[NH+](C)C)ccc1I ZINC000545899659 564436359 /nfs/dbraw/zinc/43/63/59/564436359.db2.gz VOEGJNAFXRMKMH-UHFFFAOYSA-N 1 0 389.281 2.693 20 0 GFADRO CS(=O)(=O)N1CCC([NH2+][C@H]2CCCc3cc(Br)ccc32)CC1 ZINC000479368200 564437089 /nfs/dbraw/zinc/43/70/89/564437089.db2.gz YOIMBCPHAWXONK-INIZCTEOSA-N 1 0 387.343 2.840 20 0 GFADRO CS(=O)(=O)N1CCC([NH2+][C@@H]2CCCc3cc(Br)ccc32)CC1 ZINC000479368201 564437619 /nfs/dbraw/zinc/43/76/19/564437619.db2.gz YOIMBCPHAWXONK-MRXNPFEDSA-N 1 0 387.343 2.840 20 0 GFADRO CC(C)NS(=O)(=O)CC[NH2+][C@H](c1ccc(Br)cc1F)C1CC1 ZINC000479409604 564438859 /nfs/dbraw/zinc/43/88/59/564438859.db2.gz FWLAOIZOLPBXGC-HNNXBMFYSA-N 1 0 393.322 2.957 20 0 GFADRO CCS(=O)(=O)c1cccc(C[NH2+]Cc2ccc3c(c2)sc(=O)n3C)c1 ZINC000545985144 564439462 /nfs/dbraw/zinc/43/94/62/564439462.db2.gz IPOUPGBTHTZCFM-UHFFFAOYSA-N 1 0 376.503 2.683 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](c3ccc(Br)cc3)N3CCCC3)C[C@@H]21 ZINC000452973134 564440606 /nfs/dbraw/zinc/44/06/06/564440606.db2.gz JPGPTNZBKWGKIS-NJAFHUGGSA-N 1 0 392.341 2.749 20 0 GFADRO CS(=O)(=O)N1CC[C@H](C[N@H+](Cc2cccc(Br)c2)C2CC2)C1 ZINC000513894038 564442332 /nfs/dbraw/zinc/44/23/32/564442332.db2.gz FMLZDRRDXIYSQF-CQSZACIVSA-N 1 0 387.343 2.695 20 0 GFADRO C[NH+](C)[C@@]1(CNc2cnn(Cc3ccccc3)c(=O)c2Cl)CCSC1 ZINC000479491346 564442590 /nfs/dbraw/zinc/44/25/90/564442590.db2.gz PNAHRNXZGUJDIL-GOSISDBHSA-N 1 0 378.929 2.794 20 0 GFADRO CC[NH+]1CCC(CNC(=O)C(=O)N(C)Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000569012244 564445329 /nfs/dbraw/zinc/44/53/29/564445329.db2.gz WWMMSPMSSBRDQE-UHFFFAOYSA-N 1 0 386.323 2.800 20 0 GFADRO CS(=O)(=O)NCCC[NH2+][C@H]1CCCCc2ccc(Br)cc21 ZINC000453058944 564445900 /nfs/dbraw/zinc/44/59/00/564445900.db2.gz AHARAKQVIJCVNU-HNNXBMFYSA-N 1 0 375.332 2.746 20 0 GFADRO NC(=O)[C@H]1CCCN1CCC[NH2+][C@H](Cc1ccccc1Br)C1CC1 ZINC000453111547 564447078 /nfs/dbraw/zinc/44/70/78/564447078.db2.gz OVRZNFOWRWAQIC-QZTJIDSGSA-N 1 0 394.357 2.700 20 0 GFADRO COCC(=O)N1CCC([NH2+][C@@H](Cc2ccccc2Br)C2CC2)CC1 ZINC000453119552 564447284 /nfs/dbraw/zinc/44/72/84/564447284.db2.gz LVVOQYSKSLVZAK-SFHVURJKSA-N 1 0 395.341 2.997 20 0 GFADRO COC1([C@H](C)[NH2+]C[C@@H](CO)Cc2ccc(Br)cc2)CCOCC1 ZINC000453213301 564449424 /nfs/dbraw/zinc/44/94/24/564449424.db2.gz OSEGOQMKDIOOCV-HOCLYGCPSA-N 1 0 386.330 2.774 20 0 GFADRO O=S(=O)(CC[NH2+]CC[C@@H]1CCCCO1)c1cccc(Br)c1 ZINC000514597682 564450297 /nfs/dbraw/zinc/45/02/97/564450297.db2.gz YXYYMSORVBMICJ-AWEZNQCLSA-N 1 0 376.316 2.772 20 0 GFADRO C[C@@H]([NH2+][C@@H]1CCCN(CCCO)C1)c1ccccc1I ZINC000453267245 564450684 /nfs/dbraw/zinc/45/06/84/564450684.db2.gz OZEJYHROVVIFQZ-ZIAGYGMSSA-N 1 0 388.293 2.789 20 0 GFADRO CC[C@H](CNS(C)(=O)=O)[NH2+][C@H]1C[C@H](C)c2c1cccc2Br ZINC000453283231 564452249 /nfs/dbraw/zinc/45/22/49/564452249.db2.gz MJLFGSDOVNUKLQ-WDMOLILDSA-N 1 0 375.332 2.915 20 0 GFADRO CC[C@@H](CNS(C)(=O)=O)[NH2+][C@H](Cc1cccnc1)c1cccc(Cl)c1 ZINC000453279587 564452251 /nfs/dbraw/zinc/45/22/51/564452251.db2.gz IZVJIBLCLCLEJZ-ZWKOTPCHSA-N 1 0 381.929 2.936 20 0 GFADRO CC[C@@H](CNS(C)(=O)=O)[NH2+][C@@H]1CCCc2cc(Br)ccc21 ZINC000453281215 564452261 /nfs/dbraw/zinc/45/22/61/564452261.db2.gz KKWKZGMZIVUVBD-DZGCQCFKSA-N 1 0 375.332 2.744 20 0 GFADRO CC[C@H](NC(=O)N1CCC[C@H](n2cc(C[NH3+])nn2)C1)c1ccc(Cl)s1 ZINC000514663064 564452811 /nfs/dbraw/zinc/45/28/11/564452811.db2.gz ODZSWWVGCVXPHO-STQMWFEESA-N 1 0 382.921 2.950 20 0 GFADRO O=C1NC2(CCCC2)C(=O)N1CCCC[NH2+]Cc1cncc(Br)c1 ZINC000479868387 564452865 /nfs/dbraw/zinc/45/28/65/564452865.db2.gz YAQYUFXZURNCFV-UHFFFAOYSA-N 1 0 395.301 2.579 20 0 GFADRO C[C@H]([NH2+]C[C@H](CO)Cc1ccc(F)c(Br)c1)c1ccc(=O)[nH]n1 ZINC000453341279 564454035 /nfs/dbraw/zinc/45/40/35/564454035.db2.gz CTTSNUQZAVJISA-CMPLNLGQSA-N 1 0 384.249 2.586 20 0 GFADRO Cc1c(Br)cccc1C[C@H](CO)C[NH2+][C@H](C)c1ccc(=O)[nH]n1 ZINC000453369893 564454836 /nfs/dbraw/zinc/45/48/36/564454836.db2.gz NKDSFUXKFGNYJJ-OLZOCXBDSA-N 1 0 380.286 2.755 20 0 GFADRO C[C@H]([NH2+]C[C@]1(C)CCC(=O)N1)c1ccc(F)c(I)c1 ZINC000453433529 564457201 /nfs/dbraw/zinc/45/72/01/564457201.db2.gz SQDPLQVRBGIANS-XPTSAGLGSA-N 1 0 376.213 2.750 20 0 GFADRO CC[C@@H]1C[N@H+](C)CCCN1S(=O)(=O)c1ccc(Br)c(OC)c1 ZINC000569291664 564457568 /nfs/dbraw/zinc/45/75/68/564457568.db2.gz MXLLBXLTAKOSIV-GFCCVEGCSA-N 1 0 391.331 2.563 20 0 GFADRO C[NH+]1CCC(CCO)(NCc2nc(-c3cccc(Br)c3)c[nH]2)CC1 ZINC000514798124 564457905 /nfs/dbraw/zinc/45/79/05/564457905.db2.gz INOTVACTQREVJB-UHFFFAOYSA-N 1 0 393.329 2.776 20 0 GFADRO COc1ccc(Br)cc1CNC(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000569333437 564458783 /nfs/dbraw/zinc/45/87/83/564458783.db2.gz SUQNHJYRTVMONE-ZIAGYGMSSA-N 1 0 396.329 2.989 20 0 GFADRO Cc1cc(Br)c(C[NH2+][C@@H]2CCC(=O)N[C@H]2c2cncn2C)s1 ZINC000453594257 564459336 /nfs/dbraw/zinc/45/93/36/564459336.db2.gz KQIICOVKBUAQJD-IAQYHMDHSA-N 1 0 383.315 2.662 20 0 GFADRO [NH3+]C[C@H]1CC[C@H](Cn2ncc(Br)c(Br)c2=O)CC1 ZINC000569358735 564459817 /nfs/dbraw/zinc/45/98/17/564459817.db2.gz JQWUYDOIMDGQOK-KYZUINATSA-N 1 0 379.096 2.533 20 0 GFADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)Nc1cc(Cl)cc(Br)c1 ZINC000453630666 564460161 /nfs/dbraw/zinc/46/01/61/564460161.db2.gz MIINDUNBENKJRA-JTQLQIEISA-N 1 0 390.709 2.888 20 0 GFADRO CC[NH+](CC)CCNC(=O)C(=O)Nc1cc(Cl)cc(C)c1Br ZINC000453643280 564461160 /nfs/dbraw/zinc/46/11/60/564461160.db2.gz KSJVPDDTRWCWIZ-UHFFFAOYSA-N 1 0 390.709 2.807 20 0 GFADRO Cc1cc(Br)cn2c(C[NH2+][C@H]3C[C@H]4CCCCN4C3=O)cnc12 ZINC000453641774 564461418 /nfs/dbraw/zinc/46/14/18/564461418.db2.gz YMEZISAYYQVUGZ-HIFRSBDPSA-N 1 0 377.286 2.648 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)c2cc(Br)ccc2Cl)CC12CCOCC2 ZINC000514937817 564462870 /nfs/dbraw/zinc/46/28/70/564462870.db2.gz PFTDVZFNIQSNIN-LLVKDONJSA-N 1 0 387.705 2.930 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCc2ccccc2Br)CC1 ZINC000514937288 564462884 /nfs/dbraw/zinc/46/28/84/564462884.db2.gz IPUZCHFULOHMOA-AEFFLSMTSA-N 1 0 381.314 2.737 20 0 GFADRO O=C(CC[NH2+]C[C@H](O)Cc1ccccc1)Nc1cccc(Br)c1 ZINC000569455917 564464133 /nfs/dbraw/zinc/46/41/33/564464133.db2.gz DGPVLGBTNPFOIC-QGZVFWFLSA-N 1 0 377.282 2.971 20 0 GFADRO O[C@@H](C[NH2+]C[C@H](O)COc1cc(F)cc(Br)c1)C1CCCCC1 ZINC000515061401 564468219 /nfs/dbraw/zinc/46/82/19/564468219.db2.gz VPDPIWTZINEMFC-RDJZCZTQSA-N 1 0 390.293 2.859 20 0 GFADRO C[NH+](C)CC(C)(C)CN[C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000480330163 564468326 /nfs/dbraw/zinc/46/83/26/564468326.db2.gz HNDDSDTYTYBSCI-CQSZACIVSA-N 1 0 389.359 2.845 20 0 GFADRO CCN(CCC[NH+](C)C)S(=O)(=O)c1cc(Cl)ccc1O[C@@H](C)COC ZINC000480333414 564468331 /nfs/dbraw/zinc/46/83/31/564468331.db2.gz HYXPPMAWGRSAEV-AWEZNQCLSA-N 1 0 392.949 2.716 20 0 GFADRO COCC1(C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3Cl)C2)CC[NH2+]CC1 ZINC000569572536 564469463 /nfs/dbraw/zinc/46/94/63/564469463.db2.gz BQYKNTPKWKQWHW-CQSZACIVSA-N 1 0 386.323 2.705 20 0 GFADRO CC1(C)CN(CCNC(=O)C2(Cc3ccccc3Br)CC2)CCO1 ZINC000569598085 564470343 /nfs/dbraw/zinc/47/03/43/564470343.db2.gz VCKHVUSAVBSPOV-UHFFFAOYSA-N 1 0 395.341 2.999 20 0 GFADRO Cc1ccc(NC(=O)C(=O)N2CC[N@@H+](C3CC3)C[C@@H](C)C2)c(Br)c1 ZINC000453773844 564471148 /nfs/dbraw/zinc/47/11/48/564471148.db2.gz SIHMCQDMJMFVCW-CYBMUJFWSA-N 1 0 394.313 2.639 20 0 GFADRO C[C@H](CNC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH+]1CCCC1 ZINC000515279949 564474373 /nfs/dbraw/zinc/47/43/73/564474373.db2.gz JSSPXLCFQKRDKB-SNVBAGLBSA-N 1 0 377.794 2.898 20 0 GFADRO C[C@H](Cc1c[nH]cn1)C(=O)N1CCN(Cc2ccc(Br)s2)CC1 ZINC000515309815 564474764 /nfs/dbraw/zinc/47/47/64/564474764.db2.gz KBBDXHBJBLPKQF-GFCCVEGCSA-N 1 0 397.342 2.757 20 0 GFADRO OC[C@H](C[NH2+]C[C@@H](O)Cc1ccccc1)Cc1ccccc1Br ZINC000569722839 564475660 /nfs/dbraw/zinc/47/56/60/564475660.db2.gz CVDXMFHBJNZMIP-WMZOPIPTSA-N 1 0 378.310 2.793 20 0 GFADRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)c1ccccc1-n1cc(Br)cn1 ZINC000515365556 564476821 /nfs/dbraw/zinc/47/68/21/564476821.db2.gz AJADDUMLJKQRJE-DOTOQJQBSA-N 1 0 389.297 2.991 20 0 GFADRO CCC([NH3+])(CC)CNC(=O)NCCNc1ncc(C(F)(F)F)cc1Cl ZINC000569793442 564478805 /nfs/dbraw/zinc/47/88/05/564478805.db2.gz MJXYVWQIHWIZTA-UHFFFAOYSA-N 1 0 381.830 2.982 20 0 GFADRO CC1=CCN(CC[NH2+][C@@H]2CCS(=O)(=O)c3ccc(Br)cc32)CC1 ZINC000480677070 564481345 /nfs/dbraw/zinc/48/13/45/564481345.db2.gz CTMWCWCOWRNAAM-MRXNPFEDSA-N 1 0 399.354 2.909 20 0 GFADRO Cc1cc(Br)ccc1C(=O)N1CCC([NH2+]C[C@H](CO)C2CC2)CC1 ZINC000515562228 564481730 /nfs/dbraw/zinc/48/17/30/564481730.db2.gz VFKQZAFHVZNPPF-OAHLLOKOSA-N 1 0 395.341 2.970 20 0 GFADRO O=C(NCCNc1cc[nH+]cc1)NCC1(c2ccccc2Br)CC1 ZINC000515564115 564481978 /nfs/dbraw/zinc/48/19/78/564481978.db2.gz HFROBLNPAZTEMD-UHFFFAOYSA-N 1 0 389.297 2.709 20 0 GFADRO CN1CCN(C(=O)N[C@H](c2ccsc2)c2ccc(Cl)cc2)[C@@H](C[NH3+])C1 ZINC000515619426 564484065 /nfs/dbraw/zinc/48/40/65/564484065.db2.gz ILIHMZONBBFFGT-IRXDYDNUSA-N 1 0 378.929 2.775 20 0 GFADRO C[C@@H](C[NH2+]C1CCN(Cc2cc(Cl)cc(Cl)c2)CC1)S(C)(=O)=O ZINC000515834002 564488201 /nfs/dbraw/zinc/48/82/01/564488201.db2.gz JADJFORLAZXMGC-LBPRGKRZSA-N 1 0 379.353 2.981 20 0 GFADRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NS(=O)(=O)c1cc(Br)ccc1Cl ZINC000480869442 564492097 /nfs/dbraw/zinc/49/20/97/564492097.db2.gz DUADPHYLCAHTPO-ZANVPECISA-N 1 0 393.734 2.864 20 0 GFADRO O=C(Cn1cc(Br)cn1)N(CC[NH+]1CCCCCC1)C1CCC1 ZINC000570120860 564492139 /nfs/dbraw/zinc/49/21/39/564492139.db2.gz ZSOCKPNLHILNSN-UHFFFAOYSA-N 1 0 383.334 2.903 20 0 GFADRO C[C@H](NC(=O)C[N@@H+]1CC[C@@H](c2nccn2C)C1)c1ccc(Br)cc1 ZINC000516083076 564493390 /nfs/dbraw/zinc/49/33/90/564493390.db2.gz LKFUGCXTQBNFQX-DZGCQCFKSA-N 1 0 391.313 2.849 20 0 GFADRO CCN(CCC[NH2+][C@H](COC)c1cccc(C(F)(F)F)c1)S(C)(=O)=O ZINC000480909986 564494943 /nfs/dbraw/zinc/49/49/43/564494943.db2.gz LUAPRMYNIKVIJR-OAHLLOKOSA-N 1 0 382.448 2.654 20 0 GFADRO CC(C)c1n[nH]c(C(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)c1Br ZINC000516174037 564495294 /nfs/dbraw/zinc/49/52/94/564495294.db2.gz CMJAWUQXHXWMFG-QWHCGFSZSA-N 1 0 377.286 2.781 20 0 GFADRO COCCOc1ccc(Br)cc1NC(=O)NC[C@H]1CCC[N@@H+]1C ZINC000480921954 564495604 /nfs/dbraw/zinc/49/56/04/564495604.db2.gz RNMPMLMYKJZPTO-CYBMUJFWSA-N 1 0 386.290 2.690 20 0 GFADRO O=C(CCC[S@@](=O)c1ccc(Br)cc1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000516191751 564495817 /nfs/dbraw/zinc/49/58/17/564495817.db2.gz VFEISKJOPPQPHH-NPMXOYFQSA-N 1 0 399.354 2.690 20 0 GFADRO O=C(CCC[S@](=O)c1ccc(Br)cc1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000516191746 564496141 /nfs/dbraw/zinc/49/61/41/564496141.db2.gz VFEISKJOPPQPHH-CMJOXMDJSA-N 1 0 399.354 2.690 20 0 GFADRO CC[NH+](CC)CCOCCNC(=O)Nc1cc(Br)cc(OC)c1 ZINC000480940936 564496740 /nfs/dbraw/zinc/49/67/40/564496740.db2.gz XCFMYINLAVXTLW-UHFFFAOYSA-N 1 0 388.306 2.938 20 0 GFADRO COCCCn1nccc1CNCC(=O)Nc1ccc(Br)c(C)c1 ZINC000516258974 564497712 /nfs/dbraw/zinc/49/77/12/564497712.db2.gz MWBRJTHLZGNVMJ-UHFFFAOYSA-N 1 0 395.301 2.719 20 0 GFADRO Cc1c(Br)cccc1NC(=O)C(=O)NCCCC[N@@H+](C)C1CC1 ZINC000454107138 564497979 /nfs/dbraw/zinc/49/79/79/564497979.db2.gz PJZPWGPMYKSGCB-UHFFFAOYSA-N 1 0 382.302 2.687 20 0 GFADRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2nc(-c3cccs3)cs2)C1 ZINC000454115708 564498633 /nfs/dbraw/zinc/49/86/33/564498633.db2.gz XLUIFQTZCVWHMD-LBPRGKRZSA-N 1 0 378.523 2.751 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H](CNC(=O)c2cc(=O)[nH]c3c(Br)cccc23)C1 ZINC000516288803 564498981 /nfs/dbraw/zinc/49/89/81/564498981.db2.gz ZHVGKRUMSVVXLX-GHMZBOCLSA-N 1 0 378.270 2.950 20 0 GFADRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NS(=O)(=O)c1ccc(C(F)(F)F)cn1 ZINC000480983737 564498937 /nfs/dbraw/zinc/49/89/37/564498937.db2.gz BVSRDYOFDARWPX-JHJVBQTASA-N 1 0 379.448 2.745 20 0 GFADRO Cc1cc(Br)ccc1S(=O)(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000570279076 564499226 /nfs/dbraw/zinc/49/92/26/564499226.db2.gz DSOUXDYUPROBPS-KBPBESRZSA-N 1 0 387.343 2.768 20 0 GFADRO CC[NH+]1CCN(C[C@@H](C)CNC(=O)c2nc3cc(Cl)ccc3s2)CC1 ZINC000454155651 564500293 /nfs/dbraw/zinc/50/02/93/564500293.db2.gz WMCUIUXPZCARII-ZDUSSCGKSA-N 1 0 380.945 2.953 20 0 GFADRO CCOc1cc(Br)c(NC(=O)CCOC2C[NH2+]C2)cc1OCC ZINC000570321661 564500748 /nfs/dbraw/zinc/50/07/48/564500748.db2.gz ZHAMJJAALHRMSV-UHFFFAOYSA-N 1 0 387.274 2.564 20 0 GFADRO Cn1cc(Br)c(CNC(=O)NCCC[N@H+](C)C2CCCCC2)n1 ZINC000454215826 564503026 /nfs/dbraw/zinc/50/30/26/564503026.db2.gz QVZRUAMWYTXURT-UHFFFAOYSA-N 1 0 386.338 2.636 20 0 GFADRO O=C(NC[C@@H]1CCC[N@H+]1CCCO)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000454215667 564503154 /nfs/dbraw/zinc/50/31/54/564503154.db2.gz QJCBBESQROTLQF-LBPRGKRZSA-N 1 0 377.819 2.910 20 0 GFADRO COC(=O)[C@@H](c1ccc(Cl)c(Cl)c1)N(C)Cc1nc(C(C)(C)[NH3+])no1 ZINC000570397231 564503940 /nfs/dbraw/zinc/50/39/40/564503940.db2.gz AHTJTEWZIPIKCD-CYBMUJFWSA-N 1 0 387.267 2.916 20 0 GFADRO O=C(Cc1ccc(Br)c(F)c1)NCCC[NH2+]Cc1cccnc1 ZINC000570449847 564506387 /nfs/dbraw/zinc/50/63/87/564506387.db2.gz FTKDPRPKALBTEQ-UHFFFAOYSA-N 1 0 380.261 2.822 20 0 GFADRO O=C(CSCc1ccc(Cl)cc1Cl)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000570448942 564506511 /nfs/dbraw/zinc/50/65/11/564506511.db2.gz ZNHKSAPUEGVQJM-HNNXBMFYSA-N 1 0 388.364 2.733 20 0 GFADRO O=C(NC/C=C/c1ccc(Br)cc1)NCCCC[NH+]1CCOCC1 ZINC000454340597 564506575 /nfs/dbraw/zinc/50/65/75/564506575.db2.gz ZHIPGTOOFDDMRW-ONEGZZNKSA-N 1 0 396.329 2.874 20 0 GFADRO N[C@@H](C(=O)NC[C@@H]1CCCCN1Cc1cccc(Cl)c1)c1cscn1 ZINC000516647989 564507964 /nfs/dbraw/zinc/50/79/64/564507964.db2.gz HBYPZRLHDNHKBQ-DOTOQJQBSA-N 1 0 378.929 2.967 20 0 GFADRO C[C@@H](CNC(=O)NC[C@H]1CCN(c2ccc(Br)cc2)C1)[NH+](C)C ZINC000454359197 564508261 /nfs/dbraw/zinc/50/82/61/564508261.db2.gz GMXOSQADBPIOJL-UONOGXRCSA-N 1 0 383.334 2.525 20 0 GFADRO C[C@H]1OCC[C@@H]1[N@H+](CCO)Cc1ccnc(-c2ccc(Br)cc2)n1 ZINC000570505636 564508920 /nfs/dbraw/zinc/50/89/20/564508920.db2.gz SRMGAWLDZUUKSM-DYVFJYSZSA-N 1 0 392.297 2.878 20 0 GFADRO COCC[N@H+](C)CCNC(=O)N[C@@H](C)c1ccc(F)c(Br)c1 ZINC000454448530 564510814 /nfs/dbraw/zinc/51/08/14/564510814.db2.gz WWDPKOHUVXOIRW-NSHDSACASA-N 1 0 376.270 2.527 20 0 GFADRO C[NH+](C)[C@@]1(CNS(=O)(=O)Cc2ccccc2C(F)(F)F)CCSC1 ZINC000481348588 564510855 /nfs/dbraw/zinc/51/08/55/564510855.db2.gz ZHWDVFVCVQVLOA-CQSZACIVSA-N 1 0 382.473 2.562 20 0 GFADRO CC[NH2+]CCCNC(=O)Nc1ccnn1Cc1ccccc1Br ZINC000570543607 564511858 /nfs/dbraw/zinc/51/18/58/564511858.db2.gz WQQUWWDCSUMRCZ-UHFFFAOYSA-N 1 0 380.290 2.815 20 0 GFADRO C[C@H]([NH2+]Cc1cccc(I)c1)C(=O)NCc1ccco1 ZINC000570587494 564512615 /nfs/dbraw/zinc/51/26/15/564512615.db2.gz IIKCVJVHBNYZHO-NSHDSACASA-N 1 0 384.217 2.679 20 0 GFADRO CC[C@@H]([NH2+][C@H]1CCN(S(C)(=O)=O)C1)c1cc(F)cc(Br)c1 ZINC000570575581 564513043 /nfs/dbraw/zinc/51/30/43/564513043.db2.gz WDHVMXPJENAQIO-UONOGXRCSA-N 1 0 379.295 2.663 20 0 GFADRO COc1c[nH+]ccc1N1CCN(S(=O)(=O)c2cccc(Cl)c2C)CC1 ZINC000481475763 564513227 /nfs/dbraw/zinc/51/32/27/564513227.db2.gz SIRWUQQXOHCQCD-UHFFFAOYSA-N 1 0 381.885 2.563 20 0 GFADRO C[C@@H](CNC(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1)Oc1ccc(Br)cc1 ZINC000454589379 564515018 /nfs/dbraw/zinc/51/50/18/564515018.db2.gz WVVQLMHTVDZERX-HEHGZKQESA-N 1 0 382.302 2.562 20 0 GFADRO C[N@@H+]1CCC[C@@]2(CCN(S(=O)(=O)c3ccc(F)c(Br)c3)C2)C1 ZINC000570651187 564515526 /nfs/dbraw/zinc/51/55/26/564515526.db2.gz QEJNCKGNYOJYIF-OAHLLOKOSA-N 1 0 391.306 2.695 20 0 GFADRO O=C(Nc1cc(Cl)cc(Cl)c1)[C@H]1CCCN1C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000516916670 564515750 /nfs/dbraw/zinc/51/57/50/564515750.db2.gz HYOZVNGHZVEOQD-DZGCQCFKSA-N 1 0 385.295 2.858 20 0 GFADRO CC[C@@H]1C[N@H+](C)CCN1C(=O)NCc1cc(Br)cc2c1OCC2 ZINC000570659078 564516075 /nfs/dbraw/zinc/51/60/75/564516075.db2.gz BQKGRSFAFQPXOV-OAHLLOKOSA-N 1 0 382.302 2.620 20 0 GFADRO O[C@@H](C[NH2+]CCc1cnc(C2CC2)nc1)COc1ccc(Br)cc1 ZINC000517025422 564521441 /nfs/dbraw/zinc/52/14/41/564521441.db2.gz RPQMFRWFOWBXOA-INIZCTEOSA-N 1 0 392.297 2.689 20 0 GFADRO CC[NH+]1CCC(N2CCCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)CC1 ZINC000517027461 564521942 /nfs/dbraw/zinc/52/19/42/564521942.db2.gz QJPJYFJLQVGJFG-UHFFFAOYSA-N 1 0 385.961 2.521 20 0 GFADRO C[NH+](C)[C@]1(CNC(=O)N2CCc3ccc(Br)cc32)CCSC1 ZINC000481787011 564524012 /nfs/dbraw/zinc/52/40/12/564524012.db2.gz VNGBMCGHHGSLNE-INIZCTEOSA-N 1 0 384.343 2.959 20 0 GFADRO C[C@H](C[C@H](C)[NH3+])NC(=O)c1nn(-c2cccc(Br)c2)c2c1CCC2 ZINC000517150379 564525457 /nfs/dbraw/zinc/52/54/57/564525457.db2.gz MEJYRWZXFJNLGV-NWDGAFQWSA-N 1 0 391.313 2.979 20 0 GFADRO C[C@H]1CC[S@@](=O)CCN1C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000570887401 564525925 /nfs/dbraw/zinc/52/59/25/564525925.db2.gz XCQSKAGBQLCLNK-ODCWNRFASA-N 1 0 383.583 2.513 20 0 GFADRO Cc1ccc(NC(=O)NCCCC[NH+]2CCN(C)CC2)c(Br)c1 ZINC000517160665 564526536 /nfs/dbraw/zinc/52/65/36/564526536.db2.gz UOGVYBSESSQJGO-UHFFFAOYSA-N 1 0 383.334 2.907 20 0 GFADRO COc1cc(C)c(Br)cc1S(=O)(=O)NC[C@@H](C)[NH+]1CCCC1 ZINC000548041541 564529533 /nfs/dbraw/zinc/52/95/33/564529533.db2.gz VOHWGZGKIYYSLH-GFCCVEGCSA-N 1 0 391.331 2.529 20 0 GFADRO CN(C1CCCCC1)S(=O)(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000482079581 564533448 /nfs/dbraw/zinc/53/34/48/564533448.db2.gz RQGAEVZNMBVBTF-UHFFFAOYSA-N 1 0 389.631 2.837 20 0 GFADRO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@@H](CO)C1CCOCC1 ZINC000517546782 564536571 /nfs/dbraw/zinc/53/65/71/564536571.db2.gz CBASILRFWRUZFT-WBMJQRKESA-N 1 0 385.302 2.543 20 0 GFADRO Cn1ncc(Cl)c1S(=O)(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000517650740 564539579 /nfs/dbraw/zinc/53/95/79/564539579.db2.gz OKRYZPBYVNOGCB-UHFFFAOYSA-N 1 0 382.917 2.538 20 0 GFADRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)CNC(=O)c1ccc(Cl)cc1Cl ZINC000517907218 564542998 /nfs/dbraw/zinc/54/29/98/564542998.db2.gz WUNPCWFEVSGCDW-TZMCWYRMSA-N 1 0 384.307 2.808 20 0 GFADRO CC[N@H+](CCNC(=O)c1ccc(I)c(F)c1)C(C)C ZINC000517881149 564543098 /nfs/dbraw/zinc/54/30/98/564543098.db2.gz ZGAAQWJTJBTPPW-UHFFFAOYSA-N 1 0 378.229 2.890 20 0 GFADRO Cc1[nH]c(=O)sc1S(=O)(=O)NCC[NH2+][C@@H](C)CCC1CCCCC1 ZINC000482502803 564543702 /nfs/dbraw/zinc/54/37/02/564543702.db2.gz DAOLGHNYWBYMGM-LBPRGKRZSA-N 1 0 375.560 2.774 20 0 GFADRO [NH3+]CC[C@H]1CCCCN1C(=O)[C@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000571277330 564543952 /nfs/dbraw/zinc/54/39/52/564543952.db2.gz RMVTYOHHZCWRHU-DZGCQCFKSA-N 1 0 394.313 2.532 20 0 GFADRO CC[NH+]1CCN([C@H]2CCN(C(=O)NCc3c(Cl)cccc3Cl)C2)CC1 ZINC000518023609 564545168 /nfs/dbraw/zinc/54/51/68/564545168.db2.gz YRRGUXKHACVDHK-AWEZNQCLSA-N 1 0 385.339 2.915 20 0 GFADRO C[NH+](C)CCCC(C)(C)NC(=O)Nc1ccc(Cl)c(S(C)(=O)=O)c1 ZINC000455256324 564545403 /nfs/dbraw/zinc/54/54/03/564545403.db2.gz PSOTXAGXSPGVBW-UHFFFAOYSA-N 1 0 375.922 2.985 20 0 GFADRO CC[C@H]([NH3+])CNC(=O)c1nn(-c2cccc(Br)c2)c2c1CCCC2 ZINC000571402935 564549908 /nfs/dbraw/zinc/54/99/08/564549908.db2.gz NCLAVPUFJUTIQY-ZDUSSCGKSA-N 1 0 391.313 2.981 20 0 GFADRO COCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](Cc2cc(F)cc(Br)c2)C1 ZINC000482838772 564551921 /nfs/dbraw/zinc/55/19/21/564551921.db2.gz SZLPYFXJMJLVDL-OCCSQVGLSA-N 1 0 387.293 2.951 20 0 GFADRO O=C(CNC(=O)c1ccc(Cl)cc1Cl)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000548429822 564552194 /nfs/dbraw/zinc/55/21/94/564552194.db2.gz OWNZQQPLVZXZHU-AWEZNQCLSA-N 1 0 384.307 2.810 20 0 GFADRO CN(C(=O)c1cnn(-c2cccc(Br)c2)c1)[C@H]1C[NH+]2CCC1CC2 ZINC000518432042 564553314 /nfs/dbraw/zinc/55/33/14/564553314.db2.gz IVDVMYUUFIPHOC-KRWDZBQOSA-N 1 0 389.297 2.801 20 0 GFADRO C[C@@H](CNC(=O)N1CCC(Oc2cccc(Br)c2)CC1)[NH+](C)C ZINC000455424056 564553789 /nfs/dbraw/zinc/55/37/89/564553789.db2.gz BWVRZYGZCOSDQY-ZDUSSCGKSA-N 1 0 384.318 2.952 20 0 GFADRO Cc1ccc(S(=O)(=O)C[C@@H](C)[NH2+]C2CCC(O)(C(F)(F)F)CC2)cc1 ZINC000548487023 564553795 /nfs/dbraw/zinc/55/37/95/564553795.db2.gz WVXJBUVYRUFQHR-VQCLRJIVSA-N 1 0 379.444 2.983 20 0 GFADRO COc1c(Br)cccc1C[NH2+][C@H]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000548477297 564553972 /nfs/dbraw/zinc/55/39/72/564553972.db2.gz LPXDXMGOYUTUIL-QWHCGFSZSA-N 1 0 376.316 2.903 20 0 GFADRO CC(C)C[C@@](C)([NH2+]C[C@H](O)CN1CCOCC1)c1cccc(Br)c1 ZINC000483055927 564557226 /nfs/dbraw/zinc/55/72/26/564557226.db2.gz URHBFMRYZHYFLE-RBUKOAKNSA-N 1 0 399.373 2.993 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(C(=O)NCCC(=O)Nc3cc(Cl)cc(Cl)c3)C[C@@H]21 ZINC000571641701 564559578 /nfs/dbraw/zinc/55/95/78/564559578.db2.gz WHRGIESXWJXKOJ-ABAIWWIYSA-N 1 0 385.295 2.668 20 0 GFADRO [NH3+]C[C@H]1CCCC[C@H]1NC(=O)c1ccc(-n2cc(Br)cn2)cc1 ZINC000571634892 564559904 /nfs/dbraw/zinc/55/99/04/564559904.db2.gz ONIDVWZQXCWQPO-CZUORRHYSA-N 1 0 377.286 2.882 20 0 GFADRO C[C@H]1CCCC[N@@H+]1CCC(=O)NCCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000518781615 564561415 /nfs/dbraw/zinc/56/14/15/564561415.db2.gz OLZYGYCNOKZABE-HNNXBMFYSA-N 1 0 386.945 2.885 20 0 GFADRO CN(C1CC[NH+](C)CC1)S(=O)(=O)Cc1cc(Cl)ccc1Br ZINC000571674446 564561443 /nfs/dbraw/zinc/56/14/43/564561443.db2.gz SRQNTINMCHUEFR-UHFFFAOYSA-N 1 0 395.750 2.958 20 0 GFADRO O=C(CNC(=O)c1sc2ccccc2c1Cl)NCCC[C@@H]1CCC[NH2+]1 ZINC000518768417 564561539 /nfs/dbraw/zinc/56/15/39/564561539.db2.gz MHEUOQLFDORYOR-LBPRGKRZSA-N 1 0 379.913 2.933 20 0 GFADRO CN(C)C(=O)[C@H]1CC[N@H+](Cc2nc(-c3ccc(Br)cc3)c[nH]2)C1 ZINC000571741988 564564970 /nfs/dbraw/zinc/56/49/70/564564970.db2.gz QRDXYFZLYBJNTO-ZDUSSCGKSA-N 1 0 377.286 2.749 20 0 GFADRO Cc1ccc(F)c(Br)c1NC(=O)N1CC[N@@H+](C[C@H](C)O)C[C@H]1C ZINC000455692900 564565558 /nfs/dbraw/zinc/56/55/58/564565558.db2.gz KTZMVQJPTCMXHM-NEPJUHHUSA-N 1 0 388.281 2.815 20 0 GFADRO C[C@H]([NH2+]CC[C@@H]1CCNC1=O)c1nc(-c2ccc(Br)cc2)no1 ZINC000571773064 564566475 /nfs/dbraw/zinc/56/64/75/564566475.db2.gz YBWIGARYYHFKFD-CMPLNLGQSA-N 1 0 379.258 2.676 20 0 GFADRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)Nc1nc(CC(F)(F)F)cs1 ZINC000455721422 564566483 /nfs/dbraw/zinc/56/64/83/564566483.db2.gz JZYFNQRJZFKMLT-LBPRGKRZSA-N 1 0 380.436 2.822 20 0 GFADRO C[C@H](c1ccccc1Br)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000483488405 564568810 /nfs/dbraw/zinc/56/88/10/564568810.db2.gz YBHRDFXZDCZOAA-PBHICJAKSA-N 1 0 380.330 2.749 20 0 GFADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)Nc1cc(Cl)c(Cl)cc1OC ZINC000483552579 564570003 /nfs/dbraw/zinc/57/00/03/564570003.db2.gz OBQDFHYIVKVAJZ-JTQLQIEISA-N 1 0 376.284 2.787 20 0 GFADRO Cc1ccc(F)c(NC(=O)C(=O)NCCC[N@@H+](C)C(C)C)c1Br ZINC000483548828 564570313 /nfs/dbraw/zinc/57/03/13/564570313.db2.gz XJFYNMJUNKQSLM-UHFFFAOYSA-N 1 0 388.281 2.682 20 0 GFADRO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N1CCc2sccc2[C@H]1c1cccs1 ZINC000571881879 564570840 /nfs/dbraw/zinc/57/08/40/564570840.db2.gz FVKBQQRTIUYOIJ-OZVIIMIRSA-N 1 0 377.535 2.526 20 0 GFADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)COc3ccc(F)cc3Br)CC[C@@H]21 ZINC000483606362 564570888 /nfs/dbraw/zinc/57/08/88/564570888.db2.gz YFZZWRALVGJZLE-DOMZBBRYSA-N 1 0 385.277 2.910 20 0 GFADRO C[C@@H](CNC(=O)[C@H](C)N(C)CCn1cc(Br)cn1)c1ccccc1 ZINC000519223400 564572417 /nfs/dbraw/zinc/57/24/17/564572417.db2.gz DMQRIZVJLOOQRZ-GJZGRUSLSA-N 1 0 393.329 2.886 20 0 GFADRO C[N@@H+]1CCN(C(=O)c2ccc(I)cn2)C2(CCCCC2)C1 ZINC000455814086 564572481 /nfs/dbraw/zinc/57/24/81/564572481.db2.gz DEMQVUCEAGQZQS-UHFFFAOYSA-N 1 0 399.276 2.777 20 0 GFADRO COCCC[N@H+](C)CCN[C@H](C)c1ccccc1I ZINC000483748745 564573983 /nfs/dbraw/zinc/57/39/83/564573983.db2.gz WIVFIUWWLDZHNS-CYBMUJFWSA-N 1 0 376.282 2.910 20 0 GFADRO C[C@H](NC(=O)c1ccc(-c2ccc(Cl)cc2)s1)C(=O)NCC[NH+](C)C ZINC000519367424 564576097 /nfs/dbraw/zinc/57/60/97/564576097.db2.gz DJKSPOJQWUNMKN-LBPRGKRZSA-N 1 0 379.913 2.865 20 0 GFADRO O=C(NCCC[C@@H]1CCC[NH2+]1)c1ccc(F)cc1I ZINC000571993598 564576132 /nfs/dbraw/zinc/57/61/32/564576132.db2.gz MEIZHHYXFJCTOF-NSHDSACASA-N 1 0 376.213 2.692 20 0 GFADRO CC[C@@H]1C[C@H]([NH2+]C[C@H](O)COc2cc(F)cc(Br)c2)CCO1 ZINC000571994509 564576296 /nfs/dbraw/zinc/57/62/96/564576296.db2.gz UXVAVWMLOMAGRZ-QLFBSQMISA-N 1 0 376.266 2.875 20 0 GFADRO Cc1nc2cc(Cl)c(NC(=O)C(=O)N[C@@H]3CC[N@H+](C)[C@H](C)C3)cc2s1 ZINC000483891053 564577202 /nfs/dbraw/zinc/57/72/02/564577202.db2.gz GQFLJAVSCRWVRM-MWLCHTKSSA-N 1 0 380.901 2.796 20 0 GFADRO CC(C)C[C@H]([NH3+])c1noc(-c2cc(Cn3cc(Br)cn3)on2)n1 ZINC000571999838 564577416 /nfs/dbraw/zinc/57/74/16/564577416.db2.gz AVJUSNPYEDKKEK-NSHDSACASA-N 1 0 381.234 2.778 20 0 GFADRO CCN(CC)S(=O)(=O)c1cc(NC(=O)C[N@@H+]2CC[C@@H](C)C2)ccc1Cl ZINC000548901652 564580222 /nfs/dbraw/zinc/58/02/22/564580222.db2.gz DSILQHNTCMWHPS-CYBMUJFWSA-N 1 0 387.933 2.651 20 0 GFADRO CC1CC[NH+](C[C@@H](O)CNC(=O)[C@@H]2C[C@H]2c2cccc(Br)c2)CC1 ZINC000455967767 564581910 /nfs/dbraw/zinc/58/19/10/564581910.db2.gz IGSIIBHPZAWAIV-OKZBNKHCSA-N 1 0 395.341 2.762 20 0 GFADRO COc1cc(NC(=O)c2cc(Br)c[nH]2)ccc1OCC[NH+](C)C ZINC000572132162 564582358 /nfs/dbraw/zinc/58/23/58/564582358.db2.gz AIOPCBJEWVXURK-UHFFFAOYSA-N 1 0 382.258 2.979 20 0 GFADRO Cc1nc2cc(Cl)c(NC(=O)C(=O)N(C)C[C@H]3CC[N@H+](C)C3)cc2s1 ZINC000484237582 564583984 /nfs/dbraw/zinc/58/39/84/564583984.db2.gz RABUDUBMYRFDLS-NSHDSACASA-N 1 0 380.901 2.607 20 0 GFADRO CCN(CCC[NH+](C)C)C(=O)C(=O)Nc1c(F)ccc(C)c1Br ZINC000484391834 564587581 /nfs/dbraw/zinc/58/75/81/564587581.db2.gz FCLAYBIMJPYRCG-UHFFFAOYSA-N 1 0 388.281 2.635 20 0 GFADRO C[C@@H](CCN1CC[NH+](C)CC1)Nc1ncc2scc(Br)c2n1 ZINC000572378404 564592196 /nfs/dbraw/zinc/59/21/96/564592196.db2.gz CIIDUJDIVWRNJZ-NSHDSACASA-N 1 0 384.347 2.892 20 0 GFADRO CS[C@@H]1CN([C@H]2CCN(c3ccc(Cl)cc3)C2=O)C[C@@H]1[NH+]1CCCC1 ZINC000484623569 564592888 /nfs/dbraw/zinc/59/28/88/564592888.db2.gz FIRDPZBHARRAMZ-OKZBNKHCSA-N 1 0 379.957 2.957 20 0 GFADRO CS[C@H]1CN(S(=O)(=O)Cc2ccc(C(F)F)cc2)C[C@H]1[NH+]1CCCC1 ZINC000549405702 564593875 /nfs/dbraw/zinc/59/38/75/564593875.db2.gz GURWSNAECCQCIS-CVEARBPZSA-N 1 0 390.521 2.966 20 0 GFADRO Cc1cc(Br)cn2c(C[NH2+]C[C@](C)(O)C(=O)OC(C)(C)C)cnc12 ZINC000484745017 564596238 /nfs/dbraw/zinc/59/62/38/564596238.db2.gz VXSSOCDWTFBTQZ-KRWDZBQOSA-N 1 0 398.301 2.588 20 0 GFADRO CC[NH+](CC)C[C@H](C)NC(=O)NC[C@H](O)COc1cccc(Cl)c1Cl ZINC000519974376 564596329 /nfs/dbraw/zinc/59/63/29/564596329.db2.gz WGYISAYRKGMSRS-STQMWFEESA-N 1 0 392.327 2.763 20 0 GFADRO Cc1c(I)cccc1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000456316056 564600426 /nfs/dbraw/zinc/60/04/26/564600426.db2.gz DFFDWZUIIUYYSC-YHWZYXNKSA-N 1 0 384.261 2.955 20 0 GFADRO CN(CCCN1CC[NH+](C)CC1)C(=O)[C@H]1C[C@@H]1c1cccc(Br)c1 ZINC000520310607 564601829 /nfs/dbraw/zinc/60/18/29/564601829.db2.gz CEGFYUKUASSFEW-MSOLQXFVSA-N 1 0 394.357 2.649 20 0 GFADRO C[C@H]1C[N@H+](C)CCN1c1ccc(Br)cc1NC(=O)c1ccncn1 ZINC000456383190 564604372 /nfs/dbraw/zinc/60/43/72/564604372.db2.gz YWFODWTVOHXXFY-LBPRGKRZSA-N 1 0 390.285 2.632 20 0 GFADRO NS(=O)(=O)[C@H]1CC[N@H+](Cc2ccc(-c3ccccc3Br)cc2)C1 ZINC000549808369 564605884 /nfs/dbraw/zinc/60/58/84/564605884.db2.gz NLZDIANFBSGIBR-HNNXBMFYSA-N 1 0 395.322 2.979 20 0 GFADRO CC1(C)CCN(C(=O)c2ccc(C[NH+]3CCSCC3)cc2)CC[S@@]1=O ZINC000456411339 564605995 /nfs/dbraw/zinc/60/59/95/564605995.db2.gz YRQRJIZTMQEVDE-VWLOTQADSA-N 1 0 380.579 2.609 20 0 GFADRO C[NH+](C)CCOc1ccc(CCNS(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000520557905 564606956 /nfs/dbraw/zinc/60/69/56/564606956.db2.gz BBQNBNAPHMLLSB-UHFFFAOYSA-N 1 0 382.913 2.801 20 0 GFADRO O=S(=O)(c1cc(F)ccc1Br)N1CCCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000520552039 564607539 /nfs/dbraw/zinc/60/75/39/564607539.db2.gz PLXORCIHKOBOKP-KGLIPLIRSA-N 1 0 391.306 2.883 20 0 GFADRO C[C@@H](CNC(=O)C(=O)NCc1ccc(Cl)cc1Cl)[NH+]1CCC(C)CC1 ZINC000549904530 564607882 /nfs/dbraw/zinc/60/78/82/564607882.db2.gz GCODVROQSHPUBS-ZDUSSCGKSA-N 1 0 386.323 2.846 20 0 GFADRO [NH3+]CCC1CCN(C(=O)N[C@@H]2CCN(c3ccc(Br)cc3)C2)CC1 ZINC000520594060 564608357 /nfs/dbraw/zinc/60/83/57/564608357.db2.gz CWHBQBNGUKNKFF-MRXNPFEDSA-N 1 0 395.345 2.798 20 0 GFADRO CC[C@@H]1Cc2c(Br)cccc2CN1C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000572739892 564608526 /nfs/dbraw/zinc/60/85/26/564608526.db2.gz MSFXWJWUSJKLAZ-HUUCEWRRSA-N 1 0 396.329 2.674 20 0 GFADRO Cc1ccc(C[C@@H](CO)CNC(=O)[C@@H](C(C)C)[NH+](C)C)cc1Br ZINC000456480976 564609681 /nfs/dbraw/zinc/60/96/81/564609681.db2.gz DSIMTBJBYVEFKL-NVXWUHKLSA-N 1 0 385.346 2.611 20 0 GFADRO COC[C@@]1(CNC(=O)CCCCOc2ccc(Br)cc2)CCC[NH2+]1 ZINC000572833717 564611895 /nfs/dbraw/zinc/61/18/95/564611895.db2.gz GKMVOZRUASTQST-SFHVURJKSA-N 1 0 399.329 2.883 20 0 GFADRO COCC[N@@H+]1CC[C@H](NC(=O)c2ccn(-c3ccc(Cl)c(Cl)c3)n2)C1 ZINC000520767360 564612062 /nfs/dbraw/zinc/61/20/62/564612062.db2.gz MYKZMQJWWFZPHG-LBPRGKRZSA-N 1 0 383.279 2.630 20 0 GFADRO Cc1ccc(C[C@@H](CO)CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1Br ZINC000456492732 564612249 /nfs/dbraw/zinc/61/22/49/564612249.db2.gz MMECUWDSTPOFES-UAGQMJEPSA-N 1 0 397.357 2.755 20 0 GFADRO CC(C)[N@H+](C)C[C@@H](C)NC(=O)C(=O)Nc1ccc(Br)c(Cl)c1 ZINC000520903166 564615660 /nfs/dbraw/zinc/61/56/60/564615660.db2.gz LRLCFAHVSXCMEC-SNVBAGLBSA-N 1 0 390.709 2.886 20 0 GFADRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)c2cccc(F)c2I)C1 ZINC000572958572 564617429 /nfs/dbraw/zinc/61/74/29/564617429.db2.gz QZIBUALMTQKUJV-NSHDSACASA-N 1 0 390.240 2.985 20 0 GFADRO O=C(C1CC[NH+]([C@@H]2CCSC2)CC1)N1CCC(n2cc(Cl)cn2)CC1 ZINC000521066673 564618241 /nfs/dbraw/zinc/61/82/41/564618241.db2.gz MOWIAZDOQQIQAD-QGZVFWFLSA-N 1 0 382.961 2.918 20 0 GFADRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)NCc1cccc(Cl)c1Cl ZINC000550418744 564624241 /nfs/dbraw/zinc/62/42/41/564624241.db2.gz ISAPVRATSFYCIJ-AWEZNQCLSA-N 1 0 386.323 2.846 20 0 GFADRO CC(C)[C@H]([NH2+]C[C@@H](O)COc1ccc(Br)cc1)C1(CO)CCC1 ZINC000550461620 564625214 /nfs/dbraw/zinc/62/52/14/564625214.db2.gz PFUQWHBVLYXZGM-WBVHZDCISA-N 1 0 386.330 2.966 20 0 GFADRO Cn1c2cc(Br)ccc2nc1CN1CCC([N@H+](C)CCCO)CC1 ZINC000485815141 564626270 /nfs/dbraw/zinc/62/62/70/564626270.db2.gz BNVGJCFZMKPIHY-UHFFFAOYSA-N 1 0 395.345 2.614 20 0 GFADRO COc1ccc(CNC(=O)[C@@H]2C[NH2+]Cc3ccccc32)cc1Br ZINC000521430579 564627264 /nfs/dbraw/zinc/62/72/64/564627264.db2.gz TTYMFVGPKJCESZ-OAHLLOKOSA-N 1 0 375.266 2.961 20 0 GFADRO [NH3+]C[C@@H]1CCCCN1C(=O)NCCNc1ncc(C(F)(F)F)cc1Cl ZINC000573189609 564627545 /nfs/dbraw/zinc/62/75/45/564627545.db2.gz FNYMCENQVYDPCM-NSHDSACASA-N 1 0 379.814 2.689 20 0 GFADRO CN(C)[C@H](C[NH2+][C@@H]1CCCc2cc(S(N)(=O)=O)ccc21)c1cccs1 ZINC000550606494 564627978 /nfs/dbraw/zinc/62/79/78/564627978.db2.gz VYTSFFSTBIXRGU-IAGOWNOFSA-N 1 0 379.551 2.665 20 0 GFADRO CCC[C@H](C(=O)NC[C@@H](CO)Cc1ccc(F)c(Br)c1)[NH+](C)C ZINC000456718316 564628373 /nfs/dbraw/zinc/62/83/73/564628373.db2.gz MDUZVHUPCGZYQE-XJKSGUPXSA-N 1 0 389.309 2.586 20 0 GFADRO C[C@H](C[N@H+](C)Cc1ccccc1)NS(=O)(=O)c1ccc(Br)cn1 ZINC000573240167 564629068 /nfs/dbraw/zinc/62/90/68/564629068.db2.gz KVWSSXDJMKMECL-CYBMUJFWSA-N 1 0 398.326 2.643 20 0 GFADRO COc1cc(C(=O)N(C)[C@H]2C[NH+]3CCC2CC3)cc(Br)c1OC ZINC000550707995 564629952 /nfs/dbraw/zinc/62/99/52/564629952.db2.gz XRSPBBPZGCXHAM-AWEZNQCLSA-N 1 0 383.286 2.633 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)NCCNc2ncc(C(F)(F)F)cc2Cl)C1 ZINC000521587441 564631112 /nfs/dbraw/zinc/63/11/12/564631112.db2.gz WYIAHXCBAUHHGR-NXEZZACHSA-N 1 0 379.814 2.544 20 0 GFADRO COc1ccc(C[NH2+]C[C@H](O)COc2cccc(Br)c2)cc1O ZINC000521613714 564631122 /nfs/dbraw/zinc/63/11/22/564631122.db2.gz YFAJWQBUMHWQOY-AWEZNQCLSA-N 1 0 382.254 2.693 20 0 GFADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]C1(C(=O)Nc2ccccc2)CC1 ZINC000550911091 564634065 /nfs/dbraw/zinc/63/40/65/564634065.db2.gz VRPKQIAQASZVPZ-CYBMUJFWSA-N 1 0 390.281 2.760 20 0 GFADRO CC[NH+]1CCN(CC(C)(C)NC(=O)c2cc(F)cc(Br)c2)CC1 ZINC000456908168 564638497 /nfs/dbraw/zinc/63/84/97/564638497.db2.gz WNAUOLMDOZTVKW-UHFFFAOYSA-N 1 0 386.309 2.734 20 0 GFADRO COc1ccccc1[C@@H](CNc1ncc(I)cn1)[NH+](C)C ZINC000521919133 564638531 /nfs/dbraw/zinc/63/85/31/564638531.db2.gz MQZTVQWRSRTFGO-CYBMUJFWSA-N 1 0 398.248 2.805 20 0 GFADRO CC(=O)N[C@H](CC(=O)NC[C@H]1CCC[C@@H]([NH3+])C1)c1ccc(Br)cc1 ZINC000573565309 564644384 /nfs/dbraw/zinc/64/43/84/564644384.db2.gz CILNIQLBGLTTEV-IAOVAPTHSA-N 1 0 396.329 2.650 20 0 GFADRO C[N@@H+]1CC[C@H](C(=O)N2CCC(C(=O)Nc3ccc(Br)cc3)CC2)C1 ZINC000522145751 564645137 /nfs/dbraw/zinc/64/51/37/564645137.db2.gz WARDYKDVRZKBBZ-AWEZNQCLSA-N 1 0 394.313 2.578 20 0 GFADRO C[NH+](C)[C@]1(CNC(=O)N2CCc3ccc(Br)cc3C2)CCSC1 ZINC000551314616 564646705 /nfs/dbraw/zinc/64/67/05/564646705.db2.gz PAKWZQXANJRYJQ-KRWDZBQOSA-N 1 0 398.370 2.954 20 0 GFADRO C[C@@H](CNC(=O)CSc1cccc(C(F)(F)F)c1)N1CC[NH+](C)CC1 ZINC000522265546 564648925 /nfs/dbraw/zinc/64/89/25/564648925.db2.gz WWQUVKGJMSSGHU-ZDUSSCGKSA-N 1 0 375.460 2.550 20 0 GFADRO C[C@@H]([NH2+]CCC(=O)Nc1cccc(C(F)(F)F)c1)C1(S(C)(=O)=O)CC1 ZINC000573678089 564648973 /nfs/dbraw/zinc/64/89/73/564648973.db2.gz LTOWMEBDZNUCDM-LLVKDONJSA-N 1 0 378.416 2.589 20 0 GFADRO Cc1cc(Br)cc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)c1 ZINC000486402996 564651718 /nfs/dbraw/zinc/65/17/18/564651718.db2.gz HJKJFSKSPZWCME-CQSZACIVSA-N 1 0 394.313 2.829 20 0 GFADRO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)Nc1ccc(Br)c(C(F)(F)F)c1 ZINC000573723733 564651728 /nfs/dbraw/zinc/65/17/28/564651728.db2.gz YPRHZERVRHCCDO-YUMQZZPRSA-N 1 0 396.207 2.648 20 0 GFADRO C[NH+](C)CC(C)(C)NC(=O)c1nn(-c2ccc(F)cc2)cc1Br ZINC000457208551 564652048 /nfs/dbraw/zinc/65/20/48/564652048.db2.gz NQBBEHIPRVHINF-UHFFFAOYSA-N 1 0 383.265 2.844 20 0 GFADRO CSCC[C@H]([NH3+])C(=O)NCc1ccc(I)c(Cl)c1 ZINC000573799765 564654222 /nfs/dbraw/zinc/65/42/22/564654222.db2.gz XFDRLYQJRGVZNT-NSHDSACASA-N 1 0 398.697 2.641 20 0 GFADRO COC1(C(=O)N(C)C[C@H](C)Oc2ccc(Cl)c(Cl)c2)CC[NH2+]CC1 ZINC000573803890 564655398 /nfs/dbraw/zinc/65/53/98/564655398.db2.gz FPABADDKYSUPLE-LBPRGKRZSA-N 1 0 375.296 2.988 20 0 GFADRO Cc1cc(C(=O)N2CCC[C@@H]([NH3+])[C@H]2C)nn1-c1ccc(Br)cc1 ZINC000457356761 564657955 /nfs/dbraw/zinc/65/79/55/564657955.db2.gz HLXMVVGTMFXXAW-IUODEOHRSA-N 1 0 377.286 2.895 20 0 GFADRO Cc1cc(N2C[C@@H](C(=O)NCC[N@@H+](C)C(C)C)CC2=O)ccc1Br ZINC000523205701 564662864 /nfs/dbraw/zinc/66/28/64/564662864.db2.gz OVDHMFRXDXSARI-AWEZNQCLSA-N 1 0 396.329 2.567 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)c1cn(Cc2ccc(Cl)cc2Cl)nn1)C1CC1 ZINC000457470391 564662848 /nfs/dbraw/zinc/66/28/48/564662848.db2.gz DEFJQZNGNWRKJL-MRXNPFEDSA-N 1 0 382.295 2.703 20 0 GFADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)[C@H]1C[C@H]2CC(=O)[C@@H]1C2 ZINC000457500459 564663753 /nfs/dbraw/zinc/66/37/53/564663753.db2.gz NZYVKUPATOBKIU-UAGQMJEPSA-N 1 0 393.325 2.955 20 0 GFADRO CC[N@H+](CCNC(=O)c1ccc(F)cc1I)C(C)C ZINC000523290669 564663846 /nfs/dbraw/zinc/66/38/46/564663846.db2.gz VPQLMGOQSNKDFM-UHFFFAOYSA-N 1 0 378.229 2.890 20 0 GFADRO Cc1c(Br)cc(CN2CC[NH+](CCO)CC2)cc1Br ZINC000551807397 564664580 /nfs/dbraw/zinc/66/45/80/564664580.db2.gz GOWJIAXFBSBUSG-UHFFFAOYSA-N 1 0 392.135 2.630 20 0 GFADRO Ic1cccc(C[N@@H+]2CCC[C@H](Cn3ccnn3)C2)c1 ZINC000551808473 564664644 /nfs/dbraw/zinc/66/46/44/564664644.db2.gz SYQNKYSCKACVCH-AWEZNQCLSA-N 1 0 382.249 2.795 20 0 GFADRO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCO[C@H](c2ccc(Br)cc2)[C@H]1C ZINC000486805751 564667387 /nfs/dbraw/zinc/66/73/87/564667387.db2.gz YFWDVSNTJPDGHV-OMNBBPDLSA-N 1 0 381.314 2.935 20 0 GFADRO O=S(=O)(c1cccc(OC(F)(F)F)c1)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000574081537 564668218 /nfs/dbraw/zinc/66/82/18/564668218.db2.gz CUUHFYVXFOZHKU-STQMWFEESA-N 1 0 378.416 2.595 20 0 GFADRO Cc1cc(Br)c(C(=O)NC[C@@H](O)C[NH+]2CCC(C)CC2)s1 ZINC000457677099 564669076 /nfs/dbraw/zinc/66/90/76/564669076.db2.gz XLUJJHIPNDQOCU-GFCCVEGCSA-N 1 0 375.332 2.642 20 0 GFADRO O=C(NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1cc(Br)co1 ZINC000457704002 564670440 /nfs/dbraw/zinc/67/04/40/564670440.db2.gz SZLFJACPFYTAIX-OAHLLOKOSA-N 1 0 379.254 2.539 20 0 GFADRO Cc1ccc(Br)c(S(=O)(=O)NCC[NH2+][C@@H]2CCC23CCC3)c1 ZINC000552087851 564676362 /nfs/dbraw/zinc/67/63/62/564676362.db2.gz UMWLCBISFLNODW-OAHLLOKOSA-N 1 0 387.343 2.958 20 0 GFADRO COCCC[C@H](C)[NH2+]CCCNS(=O)(=O)c1ccccc1Br ZINC000552088192 564676815 /nfs/dbraw/zinc/67/68/15/564676815.db2.gz CMTZFMNEEFOZLC-ZDUSSCGKSA-N 1 0 393.347 2.522 20 0 GFADRO CC[C@@H]1CN(CC[NH2+]Cc2cn(-c3cccc(Cl)c3Cl)nn2)CCO1 ZINC000487210850 564679106 /nfs/dbraw/zinc/67/91/06/564679106.db2.gz OLQGWTIIKXZDPG-CQSZACIVSA-N 1 0 384.311 2.775 20 0 GFADRO CN1CCN([C@H](C[NH2+]Cc2ccc(Br)cn2)c2cccs2)CC1 ZINC000524339653 564680715 /nfs/dbraw/zinc/68/07/15/564680715.db2.gz CMOWCAZSDWQZPD-MRXNPFEDSA-N 1 0 395.370 2.984 20 0 GFADRO O=C(N[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(I)cc1Cl ZINC000524419065 564682094 /nfs/dbraw/zinc/68/20/94/564682094.db2.gz UDWADISYOPBBCM-JTQLQIEISA-N 1 0 390.652 2.911 20 0 GFADRO CC[C@@H](CO)[NH+]1CCN(Cc2cc(Br)ccc2OC(F)F)CC1 ZINC000524751119 564686350 /nfs/dbraw/zinc/68/63/50/564686350.db2.gz LVOQIMVBDHITPO-AWEZNQCLSA-N 1 0 393.272 2.939 20 0 GFADRO CN(C)S(=O)(=O)N1CCCC[C@H]1C[NH2+]CC1CCC(C(F)(F)F)CC1 ZINC000574719538 564686589 /nfs/dbraw/zinc/68/65/89/564686589.db2.gz BRECOEWLQLWYBW-NRXISQOPSA-N 1 0 385.496 2.606 20 0 GFADRO CC1(C)CC([NH2+]CCCNS(=O)(=O)c2ccccc2Br)C1 ZINC000552324662 564686629 /nfs/dbraw/zinc/68/66/29/564686629.db2.gz FYXMKSCDLCULFC-UHFFFAOYSA-N 1 0 375.332 2.896 20 0 GFADRO CC[N@H+](CCNC(=O)N(CCO)Cc1cccc(Br)c1)C(C)C ZINC000487460871 564688933 /nfs/dbraw/zinc/68/89/33/564688933.db2.gz ITNAEAGRZGLZFI-UHFFFAOYSA-N 1 0 386.334 2.683 20 0 GFADRO CSC[C@H](CCO)NC(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000524901484 564690684 /nfs/dbraw/zinc/69/06/84/564690684.db2.gz CSNCISAHFPKZHA-KRWDZBQOSA-N 1 0 383.583 2.513 20 0 GFADRO C[C@H](NC(=O)N(CCO)Cc1cccc(Br)c1)C1=CC[N@H+](C)CC1 ZINC000487580641 564691350 /nfs/dbraw/zinc/69/13/50/564691350.db2.gz HAUMLYGCMDCSMX-AWEZNQCLSA-N 1 0 396.329 2.603 20 0 GFADRO COCCN(Cc1sccc1Br)C(=O)[C@@H]1C[N@H+](C)C[C@@H]1C ZINC000487706865 564694741 /nfs/dbraw/zinc/69/47/41/564694741.db2.gz ICGYUPHLIPBECL-NWDGAFQWSA-N 1 0 375.332 2.683 20 0 GFADRO CC[C@@H](C)[N@H+](C)CCNC(=O)N[C@@H]1CCO[C@H]1c1cncc(Br)c1 ZINC000458242506 564695237 /nfs/dbraw/zinc/69/52/37/564695237.db2.gz RAFWVZQGKMOQST-WQVCFCJDSA-N 1 0 399.333 2.704 20 0 GFADRO C[C@H](NC(=O)N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C)c1ncc(Br)cn1 ZINC000575241341 564695482 /nfs/dbraw/zinc/69/54/82/564695482.db2.gz PZMLNROZLLNALY-OBJOEFQTSA-N 1 0 382.306 2.568 20 0 GFADRO C[C@@H]([NH2+]C1CCN(CC(F)(F)F)CC1)c1cccc(NS(C)(=O)=O)c1 ZINC000552562097 564695812 /nfs/dbraw/zinc/69/58/12/564695812.db2.gz PZNMXRLIQTWQQP-GFCCVEGCSA-N 1 0 379.448 2.735 20 0 GFADRO Cc1cc(C(C)(C)C(=O)N2CCN(CCO)[C@@H](C)C2)ccc1Br ZINC000575632087 564701314 /nfs/dbraw/zinc/70/13/14/564701314.db2.gz LVPDIERCBYKLDC-AWEZNQCLSA-N 1 0 383.330 2.560 20 0 GFADRO CO[C@@H]1C[NH+](Cc2ccnc(-c3ccc(Br)cc3)n2)C[C@H]1OC ZINC000487997575 564701504 /nfs/dbraw/zinc/70/15/04/564701504.db2.gz FZGVVMWNOYKPKG-HZPDHXFCSA-N 1 0 378.270 2.752 20 0 GFADRO CSC1(CNC(=O)Cc2ccc(Br)cc2O)CC[NH+](C)CC1 ZINC000552812074 564701868 /nfs/dbraw/zinc/70/18/68/564701868.db2.gz MTXINKKFEODGAN-UHFFFAOYSA-N 1 0 387.343 2.641 20 0 GFADRO CN(C(=O)[C@@H](c1ccc(Br)cc1)N1CCCC1)[C@@H]1CCC[C@H]1O ZINC000552994032 564706049 /nfs/dbraw/zinc/70/60/49/564706049.db2.gz DMFGEQGWUCZLPD-BRWVUGGUSA-N 1 0 381.314 2.958 20 0 GFADRO C[NH+]1CCN(Cc2cccc(NC(=O)c3ncsc3Br)c2)CC1 ZINC000553051501 564707802 /nfs/dbraw/zinc/70/78/02/564707802.db2.gz PUMTVODGAVKYOV-UHFFFAOYSA-N 1 0 395.326 2.905 20 0 GFADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H]1COc2c1ccc(Cl)c2Cl ZINC000525771635 564708585 /nfs/dbraw/zinc/70/85/85/564708585.db2.gz BAIAOLRAGHFJQA-BXUZGUMPSA-N 1 0 388.295 2.837 20 0 GFADRO C[C@@H]1C[N@H+](C)CCN1c1ccc(Br)cc1NC(=O)[C@H]1CCC(=O)C1 ZINC000576230045 564709448 /nfs/dbraw/zinc/70/94/48/564709448.db2.gz NDVLPJWIYHMEGF-OLZOCXBDSA-N 1 0 394.313 2.897 20 0 GFADRO CC[C@H](O)[C@H](CC)NC(=O)NCc1cn2cc(Br)cc(C)c2n1 ZINC000458644250 564709637 /nfs/dbraw/zinc/70/96/37/564709637.db2.gz FLMZXBBAZGXBQW-KBPBESRZSA-N 1 0 383.290 2.754 20 0 GFADRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1ccccc1I ZINC000553100673 564709777 /nfs/dbraw/zinc/70/97/77/564709777.db2.gz SYVJKCJYHUFFQK-OLZOCXBDSA-N 1 0 384.261 2.990 20 0 GFADRO CSc1nnc(CNC(=O)N[C@@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)s1 ZINC000525842798 564710442 /nfs/dbraw/zinc/71/04/42/564710442.db2.gz SYEGCIPCLRMGLT-TZMCWYRMSA-N 1 0 377.539 2.895 20 0 GFADRO O=S1(=O)CC[C@H]([NH2+][C@@H]2C[C@@H]3OCCC[C@H]23)c2cc(Br)ccc21 ZINC000525880537 564712099 /nfs/dbraw/zinc/71/20/99/564712099.db2.gz GFRQGKGNZUXXBB-BEAPCOKYSA-N 1 0 386.311 2.825 20 0 GFADRO CC[N@@H+]1CCN(C(=O)CNC(=O)c2sc3ccccc3c2Cl)[C@H](C)C1 ZINC000553318323 564715740 /nfs/dbraw/zinc/71/57/40/564715740.db2.gz DVVPFYINRFHTRG-GFCCVEGCSA-N 1 0 379.913 2.837 20 0 GFADRO C[C@H]1C[C@@H]1[N@@H+]1CCN(c2cc(Br)cc(F)c2C(N)=O)C[C@@H](C)C1 ZINC000488736869 564718922 /nfs/dbraw/zinc/71/89/22/564718922.db2.gz QMQYHYYYZFOPAY-MJVIPROJSA-N 1 0 384.293 2.854 20 0 GFADRO C[C@H](CNS(=O)(=O)Cc1ccccc1Br)C[NH+]1CCCCC1 ZINC000553438915 564720481 /nfs/dbraw/zinc/72/04/81/564720481.db2.gz CWDDNSAEHCVUML-CQSZACIVSA-N 1 0 389.359 2.991 20 0 GFADRO C[C@@H]1CC[NH2+][C@@H](C)[C@H]1NC(=O)c1cnn(-c2ccc(Br)cc2)c1 ZINC000576816275 564720949 /nfs/dbraw/zinc/72/09/49/564720949.db2.gz UAQVJJOKBNGZRW-WQGACYEGSA-N 1 0 377.286 2.751 20 0 GFADRO CC[C@@](NC(=O)C[N@H+](C)[C@H]1CCSC1)(C(=O)OC)c1ccc(Cl)cc1 ZINC000553472381 564722031 /nfs/dbraw/zinc/72/20/31/564722031.db2.gz AJXGNOYMELNWIU-YJBOKZPZSA-N 1 0 384.929 2.672 20 0 GFADRO CC1(C)C[NH2+]CC[C@@H]1NC(=O)Cc1csc(NC(=O)c2cccs2)n1 ZINC000576988223 564722735 /nfs/dbraw/zinc/72/27/35/564722735.db2.gz NIIFIIWQJYKQFT-ZDUSSCGKSA-N 1 0 378.523 2.504 20 0 GFADRO CSc1ccc([C@H](CNC(=O)N2CCSC[C@H]2CCO)[NH+](C)C)cc1 ZINC000458909951 564723314 /nfs/dbraw/zinc/72/33/14/564723314.db2.gz YXNMUCODNGRGIZ-WBVHZDCISA-N 1 0 383.583 2.521 20 0 GFADRO CN(CC[N@H+](C)C1CC1)S(=O)(=O)c1cc(Br)cc2cccnc21 ZINC000553519704 564724036 /nfs/dbraw/zinc/72/40/36/564724036.db2.gz CQZQQYADMCDIMP-UHFFFAOYSA-N 1 0 398.326 2.712 20 0 GFADRO C[C@H](CCc1ccc(I)cc1)[NH2+]C[C@@H](C)S(C)(=O)=O ZINC000526984253 564724458 /nfs/dbraw/zinc/72/44/58/564724458.db2.gz VQFBNDVXUBWEPE-VXGBXAGGSA-N 1 0 395.306 2.635 20 0 GFADRO FC(F)C1(CNc2nc3c(c(NCC4(C(F)F)CC4)n2)SCC3)CC1 ZINC000553564195 564726838 /nfs/dbraw/zinc/72/68/38/564726838.db2.gz UJKOSTXULNHLMG-UHFFFAOYSA-N 1 0 376.423 2.883 20 0 GFADRO CCC[NH+]1CCC(NS(=O)(=O)c2cccc(OC(F)(F)F)c2F)CC1 ZINC000489069848 564727861 /nfs/dbraw/zinc/72/78/61/564727861.db2.gz HMKUFFQJVMOXEH-UHFFFAOYSA-N 1 0 384.395 2.877 20 0 GFADRO Cc1ccc(Cl)c(S(=O)(=O)N2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)c1Cl ZINC000577178270 564727993 /nfs/dbraw/zinc/72/79/93/564727993.db2.gz LQOMAVAYHDHUMF-HIFRSBDPSA-N 1 0 393.336 2.819 20 0 GFADRO CCN(CCC[NH+](C)C)C(=O)[C@@H]1CCN(c2ccccc2Br)C1=O ZINC000527058699 564728666 /nfs/dbraw/zinc/72/86/66/564728666.db2.gz YIAULMZCEFWKBG-AWEZNQCLSA-N 1 0 396.329 2.602 20 0 GFADRO O=C1N[C@@]2(CCC[NH2+]C2)C(=O)N1Cc1csc(-c2ccc(Cl)cc2)n1 ZINC000577278023 564732333 /nfs/dbraw/zinc/73/23/33/564732333.db2.gz LHRXFFOMBQVGFX-QGZVFWFLSA-N 1 0 376.869 2.638 20 0 GFADRO CCOCC[N@H+](CC)[C@H](C)C(=O)Nc1cccc(I)c1 ZINC000489252304 564733100 /nfs/dbraw/zinc/73/31/00/564733100.db2.gz GFXYINJXLYNHRI-GFCCVEGCSA-N 1 0 390.265 2.977 20 0 GFADRO C[C@@H]1[C@@H](NC(=O)NCc2n[nH]cc2Br)CC[N@@H+]1Cc1ccccc1 ZINC000577312241 564733414 /nfs/dbraw/zinc/73/34/14/564733414.db2.gz OLCIZCMHSCOFLZ-DOMZBBRYSA-N 1 0 392.301 2.634 20 0 GFADRO CC[NH+](CC)C[C@@H](C)NC(=O)NCC(=O)Nc1cc(Cl)ccc1Cl ZINC000527224822 564734377 /nfs/dbraw/zinc/73/43/77/564734377.db2.gz VBZACXSIAPOIFI-LLVKDONJSA-N 1 0 375.300 2.961 20 0 GFADRO CCC[N@H+](CC)CCNC(=O)N[C@@H](CO)c1ccc(Br)c(F)c1 ZINC000489266923 564734513 /nfs/dbraw/zinc/73/45/13/564734513.db2.gz QWNUDKXWPJSPNU-HNNXBMFYSA-N 1 0 390.297 2.653 20 0 GFADRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)Cc1cccc(I)c1 ZINC000553767824 564734968 /nfs/dbraw/zinc/73/49/68/564734968.db2.gz KSBYDIKIQFFFLG-CZUORRHYSA-N 1 0 398.288 2.919 20 0 GFADRO C[C@@H](NS(=O)(=O)Cc1cccc(Br)c1)C(C)(C)C[NH+](C)C ZINC000553767169 564735046 /nfs/dbraw/zinc/73/50/46/564735046.db2.gz DYUILGAYGAHCON-GFCCVEGCSA-N 1 0 377.348 2.845 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)C[N@@H+]1C[C@H](O)C[C@@H]1[C@H]1CCCOC1 ZINC000577340895 564735578 /nfs/dbraw/zinc/73/55/78/564735578.db2.gz HXWDGMHFZUZOMB-YSVLISHTSA-N 1 0 397.313 2.558 20 0 GFADRO O=C(C1CC[NH+]([C@H]2CCSC2)CC1)N1CCSC[C@@H]1c1nccs1 ZINC000577529897 564736307 /nfs/dbraw/zinc/73/63/07/564736307.db2.gz ZZTHDEMGKUKALW-LSDHHAIUSA-N 1 0 383.608 2.977 20 0 GFADRO C[C@H]1C[C@@H]1[N@@H+]1CCN(C(=O)c2cc(Br)cnc2N(C)C)C[C@@H](C)C1 ZINC000553781858 564736311 /nfs/dbraw/zinc/73/63/11/564736311.db2.gz GRJJHOCJMMKRKL-XEZPLFJOSA-N 1 0 395.345 2.712 20 0 GFADRO CC(C)[C@@H]1CN(C(=O)Cc2cccc(I)c2)CC[N@@H+]1C ZINC000489386798 564737838 /nfs/dbraw/zinc/73/78/38/564737838.db2.gz DHJFICZVLSQDED-HNNXBMFYSA-N 1 0 386.277 2.632 20 0 GFADRO CCC(C)(C)[NH2+][C@@H](C)C(=O)N[C@@H](CO)c1ccc(Br)c(F)c1 ZINC000553815945 564737871 /nfs/dbraw/zinc/73/78/71/564737871.db2.gz QIGYACZJTVKHHI-HZMBPMFUSA-N 1 0 375.282 2.905 20 0 GFADRO C[N@@H+]1CCC[C@@H](CCNC(=O)N2CCN(Cc3ccc(Cl)s3)CC2)C1 ZINC000459268601 564738501 /nfs/dbraw/zinc/73/85/01/564738501.db2.gz SGVSZROLRACUGD-HNNXBMFYSA-N 1 0 384.977 2.961 20 0 GFADRO N[C@@](C(=O)NC[C@H]1CC[C@H](C[NH3+])CC1)(c1cccc(Cl)c1)C(F)(F)F ZINC000578069225 564740301 /nfs/dbraw/zinc/74/03/01/564740301.db2.gz VPHAKNRFCOVNPS-XHBSWPGZSA-N 1 0 377.838 2.938 20 0 GFADRO C[C@@H]1CN(C(=O)c2cc(Br)cnc2N(C)C)CC[N@@H+](C2CCC2)C1 ZINC000553866904 564741789 /nfs/dbraw/zinc/74/17/89/564741789.db2.gz IEYLVISWVQMNSA-ZDUSSCGKSA-N 1 0 395.345 2.857 20 0 GFADRO CCO[C@@H]1C[C@H]([NH2+]C[C@@H](O)COc2cccc(C(F)(F)F)c2)[C@@H]1SC ZINC000459391533 564742269 /nfs/dbraw/zinc/74/22/69/564742269.db2.gz KGHYYOQIRCXGMR-BVUBDWEXSA-N 1 0 379.444 2.944 20 0 GFADRO CCO[C@@H]1C[C@H]([NH2+]C[C@H](O)COc2cccc(C(F)(F)F)c2)[C@@H]1SC ZINC000459391536 564742542 /nfs/dbraw/zinc/74/25/42/564742542.db2.gz KGHYYOQIRCXGMR-HNKHHVNMSA-N 1 0 379.444 2.944 20 0 GFADRO C[C@H]1NC(=O)N(CC[NH2+][C@@H](c2ccc(Br)cc2)C2CCC2)C1=O ZINC000459391549 564742715 /nfs/dbraw/zinc/74/27/15/564742715.db2.gz KHUYYFOCIFYYTJ-IAQYHMDHSA-N 1 0 380.286 2.820 20 0 GFADRO COc1ccc(CCC(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)cc1Br ZINC000578349961 564743272 /nfs/dbraw/zinc/74/32/72/564743272.db2.gz YROJXKWXPCYLGF-SFHVURJKSA-N 1 0 381.314 2.992 20 0 GFADRO C[C@@H](c1ccc(N2CCCS2(=O)=O)cc1)[N@H+](C)CCn1cc(Cl)cn1 ZINC000459419897 564743775 /nfs/dbraw/zinc/74/37/75/564743775.db2.gz BUUUFWUHUOGPLN-AWEZNQCLSA-N 1 0 382.917 2.769 20 0 GFADRO CC[C@H](Cc1ccccc1Br)[N@H+](C)CCN1C(=O)N[C@@H](C)C1=O ZINC000459411580 564744059 /nfs/dbraw/zinc/74/40/59/564744059.db2.gz QFKWZEUNWYQUJN-GXTWGEPZSA-N 1 0 382.302 2.642 20 0 GFADRO Cn1cnc(CC[NH2+][C@@H](c2cccc(Br)c2)C2CCOCC2)n1 ZINC000527506100 564744044 /nfs/dbraw/zinc/74/40/44/564744044.db2.gz DGFWNCLMTQIAJX-QGZVFWFLSA-N 1 0 379.302 2.878 20 0 GFADRO O=S1(=O)C[C@@H](CNCc2ccccc2Br)Oc2ccccc21 ZINC000579472824 564748370 /nfs/dbraw/zinc/74/83/70/564748370.db2.gz QRDXEPDEXCHHKA-CYBMUJFWSA-N 1 0 382.279 2.774 20 0 GFADRO CN(CCOc1ccc(Br)cc1)C(=O)C[N@@H+]1CCC[C@@H]1C(C)(C)O ZINC000489679820 564748353 /nfs/dbraw/zinc/74/83/53/564748353.db2.gz QBQFUJZTHZQREP-MRXNPFEDSA-N 1 0 399.329 2.522 20 0 GFADRO C[C@H](C[NH+]1CCCCC1)NS(=O)(=O)c1cccc(OC(F)(F)F)c1F ZINC000489667580 564748613 /nfs/dbraw/zinc/74/86/13/564748613.db2.gz NYBRCFYXAKCBFR-LLVKDONJSA-N 1 0 384.395 2.877 20 0 GFADRO CCOc1cc(C[NH+]2CCC3(CCN(C)C3=O)CC2)cc(Br)c1O ZINC000459514912 564749470 /nfs/dbraw/zinc/74/94/70/564749470.db2.gz MFMYXPBXNYTAOX-UHFFFAOYSA-N 1 0 397.313 2.998 20 0 GFADRO CCOc1cc(CN2C[C@@H](N3CCOCC3)C[C@@H]2C)cc(Br)c1O ZINC000459551389 564750265 /nfs/dbraw/zinc/75/02/65/564750265.db2.gz VUKNHYBLTMOSRO-ZFWWWQNUSA-N 1 0 399.329 2.848 20 0 GFADRO COc1ccc(OC)c([C@@H](O)CNCc2ncc(Br)cc2F)c1 ZINC000527635142 564751984 /nfs/dbraw/zinc/75/19/84/564751984.db2.gz MRLFLMSUIVOAQL-HNNXBMFYSA-N 1 0 385.233 2.824 20 0 GFADRO COCc1nc2n(n1)C[C@H]([NH2+]Cc1ccc(Br)c(F)c1F)CC2 ZINC000527675132 564754039 /nfs/dbraw/zinc/75/40/39/564754039.db2.gz UFIKXSZCDUEHDT-SNVBAGLBSA-N 1 0 387.228 2.570 20 0 GFADRO Cc1csc(C(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)c1I ZINC000580304586 564755466 /nfs/dbraw/zinc/75/54/66/564755466.db2.gz LRWSJWJLPCVCSV-VHSXEESVSA-N 1 0 378.279 2.908 20 0 GFADRO COc1ccc(CC[NH2+]Cc2ccsc2C(F)(F)F)cc1S(N)(=O)=O ZINC000527687277 564755485 /nfs/dbraw/zinc/75/54/85/564755485.db2.gz KHBKFPNKVJULRW-UHFFFAOYSA-N 1 0 394.440 2.755 20 0 GFADRO O=C([C@H]1CC[N@@H+](C[C@@H](O)COc2c(Cl)cccc2Cl)C1)N1CCCC1 ZINC000554284495 564755923 /nfs/dbraw/zinc/75/59/23/564755923.db2.gz ROWLJXQNVVYTTI-UONOGXRCSA-N 1 0 387.307 2.677 20 0 GFADRO OC[C@@H](C[NH2+]Cc1c[nH]c2nccnc12)Cc1cc(F)cc(Br)c1 ZINC000459696931 564757807 /nfs/dbraw/zinc/75/78/07/564757807.db2.gz KHSWQXRESKWJAV-GFCCVEGCSA-N 1 0 393.260 2.752 20 0 GFADRO C[C@@H](Cc1ccc(Br)cc1)[NH2+]CC1(N2CCOCC2)CCOCC1 ZINC000459709480 564757977 /nfs/dbraw/zinc/75/79/77/564757977.db2.gz LGPKBHARCQWYFU-INIZCTEOSA-N 1 0 397.357 2.851 20 0 GFADRO Brc1cccc2c1CC[C@@H]2[NH2+]CC1(N2CCOCC2)CCOCC1 ZINC000459719630 564758911 /nfs/dbraw/zinc/75/89/11/564758911.db2.gz UEWRQRHCGVGGFW-SFHVURJKSA-N 1 0 395.341 2.907 20 0 GFADRO Cc1ccc(C[NH2+]CC2(N3CCOCC3)CCOCC2)cc1Br ZINC000459718201 564759040 /nfs/dbraw/zinc/75/90/40/564759040.db2.gz SENDCPSBQDEVRZ-UHFFFAOYSA-N 1 0 383.330 2.729 20 0 GFADRO COc1ccc([C@H](C)NC(=O)c2ccn(CC[NH+](C)C)n2)cc1Br ZINC000580446777 564759091 /nfs/dbraw/zinc/75/90/91/564759091.db2.gz WGTRYNOLITZWIW-LBPRGKRZSA-N 1 0 395.301 2.707 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+]C[C@@H](O)[C@H]1CCCO1 ZINC000527757542 564759336 /nfs/dbraw/zinc/75/93/36/564759336.db2.gz KCXUESGDEVOOJV-IAGOWNOFSA-N 1 0 380.286 2.573 20 0 GFADRO CCCOc1c(Br)cc(C[NH2+]C[C@@H](O)[C@@H]2CCCO2)cc1OC ZINC000527758206 564759627 /nfs/dbraw/zinc/75/96/27/564759627.db2.gz JABJJAOFOBSKIK-CABCVRRESA-N 1 0 388.302 2.876 20 0 GFADRO COC(=O)c1ccc(C[NH2+][C@@H]2CCO[C@H]2c2cncc(Br)c2)o1 ZINC000459763957 564761151 /nfs/dbraw/zinc/76/11/51/564761151.db2.gz NBAIREDGIXZOLM-HIFRSBDPSA-N 1 0 381.226 2.844 20 0 GFADRO CC(C)(C[NH2+]Cc1cnc2ccc(Br)cn12)C(=O)N1CCCC1 ZINC000527811488 564761803 /nfs/dbraw/zinc/76/18/03/564761803.db2.gz ISYQRZOVIOJULG-UHFFFAOYSA-N 1 0 379.302 2.835 20 0 GFADRO CC(C)CN(C(=O)C[NH2+][C@@H](C)c1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000459828604 564761976 /nfs/dbraw/zinc/76/19/76/564761976.db2.gz OUARTOMFFLZFAZ-WMLDXEAASA-N 1 0 386.945 2.662 20 0 GFADRO CC[N@H+](CCNC(=O)Nc1ccc2nccnc2c1Br)C1CC1 ZINC000554540451 564764586 /nfs/dbraw/zinc/76/45/86/564764586.db2.gz ONSLVQJKPLTDBQ-UHFFFAOYSA-N 1 0 378.274 2.998 20 0 GFADRO C[C@]1(CCNC(=O)N2CCC(C)([NH+]3CCOCC3)CC2)CC1(Cl)Cl ZINC000527986122 564766078 /nfs/dbraw/zinc/76/60/78/564766078.db2.gz IVUOAUXBTMJPJE-HNNXBMFYSA-N 1 0 378.344 2.857 20 0 GFADRO CN(Cc1cc(Br)ccc1Cl)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000580633022 564767760 /nfs/dbraw/zinc/76/77/60/564767760.db2.gz UVZAABZDNASUMT-CYBMUJFWSA-N 1 0 390.709 2.622 20 0 GFADRO CC(=O)N1CCC[C@H](C[NH2+]C[C@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000580709856 564770370 /nfs/dbraw/zinc/77/03/70/564770370.db2.gz GLWANVVMYCXUJM-KGLIPLIRSA-N 1 0 375.296 2.581 20 0 GFADRO O=C(NCCC[C@@H]1CCC[NH2+]1)c1ccn(-c2cccc(Br)c2)n1 ZINC000580709420 564770504 /nfs/dbraw/zinc/77/05/04/564770504.db2.gz ZCWITBOIGLHZQW-AWEZNQCLSA-N 1 0 377.286 2.897 20 0 GFADRO C[C@H]1CS(=O)(=O)C[C@H]1[NH2+]Cc1ccc(OC(F)F)c(Br)c1 ZINC000554725138 564771606 /nfs/dbraw/zinc/77/16/06/564771606.db2.gz YNOOQSNKPSVXKV-GZMMTYOYSA-N 1 0 384.242 2.573 20 0 GFADRO O=S(=O)(NC[C@@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1)C1CC1 ZINC000580798215 564773824 /nfs/dbraw/zinc/77/38/24/564773824.db2.gz XVGYEVXANXICJM-AWEZNQCLSA-N 1 0 376.444 2.999 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]1C1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1 ZINC000580774499 564773874 /nfs/dbraw/zinc/77/38/74/564773874.db2.gz YVDBBCHXSNFVMC-DOMZBBRYSA-N 1 0 379.309 2.510 20 0 GFADRO CS[C@H]1CN(CC(=O)Nc2ccccc2Br)C[C@@H]1[NH+]1CCCC1 ZINC000460353174 564773914 /nfs/dbraw/zinc/77/39/14/564773914.db2.gz PKAQOJNJJCTHAC-HOTGVXAUSA-N 1 0 398.370 2.899 20 0 GFADRO CC(=O)N1CCN(CC[NH2+]Cc2csc3c2cccc3Br)CC1 ZINC000580784799 564773925 /nfs/dbraw/zinc/77/39/25/564773925.db2.gz BOOOJWHHIHAGBM-UHFFFAOYSA-N 1 0 396.354 2.918 20 0 GFADRO CS[C@@H]1CN(CC(=O)Nc2nc3ccccc3s2)C[C@@H]1[NH+]1CCCC1 ZINC000460359673 564774999 /nfs/dbraw/zinc/77/49/99/564774999.db2.gz OUEZXSPJGUDSBG-GOEBONIOSA-N 1 0 376.551 2.746 20 0 GFADRO O=C(NCC1CC[NH+](CCO)CC1)Nc1cc(F)cc(Br)c1F ZINC000490509575 564775117 /nfs/dbraw/zinc/77/51/17/564775117.db2.gz JNFNZEMAHSXTMM-UHFFFAOYSA-N 1 0 392.244 2.553 20 0 GFADRO Cc1cc(F)c(Br)cc1S(=O)(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000490558852 564776495 /nfs/dbraw/zinc/77/64/95/564776495.db2.gz UIBWCFNBRDNFDF-HNNXBMFYSA-N 1 0 391.306 2.613 20 0 GFADRO CN(C)S(=O)(=O)c1ccc(C[NH2+][C@@H](c2cccs2)C(C)(C)CO)cc1 ZINC000554952598 564778967 /nfs/dbraw/zinc/77/89/67/564778967.db2.gz SOQRYLGBJMFDPI-KRWDZBQOSA-N 1 0 382.551 2.848 20 0 GFADRO COc1cc(Br)ccc1CCC(=O)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000580959230 564781055 /nfs/dbraw/zinc/78/10/55/564781055.db2.gz SFAVROHNEVEIKJ-SFHVURJKSA-N 1 0 381.314 2.945 20 0 GFADRO Cc1cc(I)cc(NC(=O)NCC[N@H+]2CC=CCC2)c1 ZINC000490812360 564782439 /nfs/dbraw/zinc/78/24/39/564782439.db2.gz KPPOFFWBEBJUSU-UHFFFAOYSA-N 1 0 385.249 2.983 20 0 GFADRO CC[NH+](CC)[C@H]1CCN(Cc2cn(-c3ccccc3Br)nn2)C1 ZINC000555092110 564782945 /nfs/dbraw/zinc/78/29/45/564782945.db2.gz FLBJOTMDWXILHN-HNNXBMFYSA-N 1 0 378.318 2.946 20 0 GFADRO CCCN(CC[NH+](CC)CC)S(=O)(=O)c1ccc(C(=O)OC)cc1Cl ZINC000460906271 564783891 /nfs/dbraw/zinc/78/38/91/564783891.db2.gz RSLAWYKOUBQKGE-UHFFFAOYSA-N 1 0 390.933 2.869 20 0 GFADRO C[C@@H](NC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1)c1cccc(Cl)c1Cl ZINC000581006776 564784298 /nfs/dbraw/zinc/78/42/98/564784298.db2.gz PZDVVEROJQJUQO-RIEGTJTDSA-N 1 0 382.295 2.924 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H]2CN(c3ncnc4cccc(I)c43)C[C@H]21 ZINC000581063047 564785884 /nfs/dbraw/zinc/78/58/84/564785884.db2.gz VHYRLUODBPAWFP-NQBHXWOUSA-N 1 0 394.260 2.798 20 0 GFADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)c1c(Br)ccc2ccccc21 ZINC000528463427 564786956 /nfs/dbraw/zinc/78/69/56/564786956.db2.gz HBMKQKQOKCWEHX-CQSZACIVSA-N 1 0 390.325 2.968 20 0 GFADRO Cc1cc(C)c(Br)c(C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)c1 ZINC000461012912 564788273 /nfs/dbraw/zinc/78/82/73/564788273.db2.gz CLXYPOTTYKGVMC-OAHLLOKOSA-N 1 0 381.314 2.860 20 0 GFADRO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@H](CCO)C1CCOCC1 ZINC000461084012 564788752 /nfs/dbraw/zinc/78/87/52/564788752.db2.gz GXLBDOAGCJBKKE-CXAGYDPISA-N 1 0 399.329 2.933 20 0 GFADRO C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@@H](CCO)C1CCOCC1 ZINC000461084014 564789047 /nfs/dbraw/zinc/78/90/47/564789047.db2.gz GXLBDOAGCJBKKE-GUYCJALGSA-N 1 0 399.329 2.933 20 0 GFADRO O[C@H](C[N@@H+]1CCC[C@@H]([C@H](O)c2ccc(Br)cc2)C1)CC1(O)CCC1 ZINC000528501277 564789713 /nfs/dbraw/zinc/78/97/13/564789713.db2.gz BSROEXVFFZCHGQ-BPQIPLTHSA-N 1 0 398.341 2.861 20 0 GFADRO C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)Cc2ccc(Br)cc2O)C1 ZINC000491683929 564795580 /nfs/dbraw/zinc/79/55/80/564795580.db2.gz DCFDIGIVBPHQRK-DLBZAZTESA-N 1 0 389.293 2.911 20 0 GFADRO CC[N@H+](CCNc1cc(Br)cnc1C(N)=O)CCC(F)(F)F ZINC000491650480 564795618 /nfs/dbraw/zinc/79/56/18/564795618.db2.gz AWTFGQIIAAHKOY-UHFFFAOYSA-N 1 0 383.212 2.629 20 0 GFADRO CC(C)Oc1cc(Br)cc(NC(=O)NCCOCC[NH+](C)C)c1 ZINC000461440764 564797001 /nfs/dbraw/zinc/79/70/01/564797001.db2.gz ZGJHDFLTFBEQJS-UHFFFAOYSA-N 1 0 388.306 2.936 20 0 GFADRO C[NH2+][C@@H](C)C(=O)N[C@H](c1ccc(Cl)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000581320868 564797436 /nfs/dbraw/zinc/79/74/36/564797436.db2.gz QRDXZCSYLVUXPH-YVEFUNNKSA-N 1 0 380.897 2.557 20 0 GFADRO Cc1cc(Br)cc2c1[C@H]([NH2+][C@H]1CCCN(S(C)(=O)=O)C1)CC2 ZINC000492050667 564797497 /nfs/dbraw/zinc/79/74/97/564797497.db2.gz UAZASEMFJMMFJT-LSDHHAIUSA-N 1 0 387.343 2.758 20 0 GFADRO O=C(Nc1cccc(F)c1I)N[C@H]1CC[NH2+]C12CCC2 ZINC000528689142 564800516 /nfs/dbraw/zinc/80/05/16/564800516.db2.gz TXNIIKYIJMIIHV-NSHDSACASA-N 1 0 389.212 2.836 20 0 GFADRO CSC1(CNC(=O)N[C@@H](CO)c2cccc(Cl)c2F)CC[NH+](C)CC1 ZINC000581402907 564800847 /nfs/dbraw/zinc/80/08/47/564800847.db2.gz QUFRRXBSZXNJGM-AWEZNQCLSA-N 1 0 389.924 2.639 20 0 GFADRO C[C@@H](CNC(=O)C(=O)NCc1ccc(Cl)cc1Cl)[N@@H+]1CCC[C@H](C)C1 ZINC000581442785 564802522 /nfs/dbraw/zinc/80/25/22/564802522.db2.gz WDBNPQNXJLVECC-STQMWFEESA-N 1 0 386.323 2.846 20 0 GFADRO C[C@H]1C[C@H](NC(=O)C(=O)Nc2cccc(Br)c2Cl)CC[N@@H+]1C ZINC000581434629 564802825 /nfs/dbraw/zinc/80/28/25/564802825.db2.gz GOZOQBDJXDBSNQ-VHSXEESVSA-N 1 0 388.693 2.640 20 0 GFADRO C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1[NH2+]CC(=O)Nc1ccccc1I ZINC000528760232 564803774 /nfs/dbraw/zinc/80/37/74/564803774.db2.gz XGZBHUHCLDOPNH-RSQPEXBXSA-N 1 0 388.249 2.631 20 0 GFADRO OC[C@@H]1CCC[N@H+](C[C@@H](O)COc2ccc(Cl)cc2Br)CC1 ZINC000555751968 564804475 /nfs/dbraw/zinc/80/44/75/564804475.db2.gz TYARGGWVTRZPJU-TZMCWYRMSA-N 1 0 392.721 2.937 20 0 GFADRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)COc2ccc(F)cc2Br)C1 ZINC000493177525 564806718 /nfs/dbraw/zinc/80/67/18/564806718.db2.gz COGKUGCXUBCCGR-WFASDCNBSA-N 1 0 385.277 2.910 20 0 GFADRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)COc2ccc(F)cc2Br)C1 ZINC000493177522 564806862 /nfs/dbraw/zinc/80/68/62/564806862.db2.gz COGKUGCXUBCCGR-DOMZBBRYSA-N 1 0 385.277 2.910 20 0 GFADRO C[NH+](C)C1CCN(c2ccc(NC(=O)[C@@H]3C[C@]3(C)Br)nc2)CC1 ZINC000528837684 564807297 /nfs/dbraw/zinc/80/72/97/564807297.db2.gz AUGMVVHRSKEIJK-YOEHRIQHSA-N 1 0 381.318 2.724 20 0 GFADRO CC[NH+](CC)CC[C@H](CO)Nc1ccc(Br)c(C(F)(F)F)n1 ZINC000555898911 564807850 /nfs/dbraw/zinc/80/78/50/564807850.db2.gz ZEUHKTQGNCUTKM-SNVBAGLBSA-N 1 0 384.240 3.368 20 0 GFADRO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCCC(=O)Nc1ccc(Br)cc1 ZINC000461973472 564810281 /nfs/dbraw/zinc/81/02/81/564810281.db2.gz MEPHHIDRWVBYAF-CHWSQXEVSA-N 1 0 382.302 2.767 20 0 GFADRO CCn1c(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)nc2cc(Br)ccc21 ZINC000581616700 564811015 /nfs/dbraw/zinc/81/10/15/564811015.db2.gz VSQMNPGPOORSSM-GFCCVEGCSA-N 1 0 379.302 2.777 20 0 GFADRO CC(C)[N@@H+](C)C[C@H](C)NC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000581640669 564811667 /nfs/dbraw/zinc/81/16/67/564811667.db2.gz DHRICOKGWZUSNC-ZDUSSCGKSA-N 1 0 388.343 2.949 20 0 GFADRO CNC(=O)CN1CCC([NH2+][C@H]2CCc3cc(Br)cc(C)c32)CC1 ZINC000493897670 564813175 /nfs/dbraw/zinc/81/31/75/564813175.db2.gz QFXBKHDOQAYRLR-INIZCTEOSA-N 1 0 380.330 2.545 20 0 GFADRO CC[C@H]1C[N@H+](C)CCCN1S(=O)(=O)CCc1ccccc1Br ZINC000462071203 564815993 /nfs/dbraw/zinc/81/59/93/564815993.db2.gz CNBGJKLFRLDSNE-HNNXBMFYSA-N 1 0 389.359 2.738 20 0 GFADRO COc1cc([C@@H](C)[NH2+]CCCNS(=O)(=O)c2ccccc2Cl)ccn1 ZINC000556262330 564815992 /nfs/dbraw/zinc/81/59/92/564815992.db2.gz XVPVIWDKYSRWPL-CYBMUJFWSA-N 1 0 383.901 2.763 20 0 GFADRO Cn1cc(Br)c(C(=O)N(CC[NH+]2CCCC2)c2ccccc2)n1 ZINC000556290563 564817323 /nfs/dbraw/zinc/81/73/23/564817323.db2.gz ROTFTFSUTGZZDL-UHFFFAOYSA-N 1 0 377.286 2.925 20 0 GFADRO C[C@@H]1CC[N@H+](CC(=O)N2CCN(Cc3cccc(Cl)c3)CC2)CCS1 ZINC000494115647 564817343 /nfs/dbraw/zinc/81/73/43/564817343.db2.gz IHFKGPPVHPLANI-MRXNPFEDSA-N 1 0 381.973 2.812 20 0 GFADRO O=C(NCC[NH+]1CCCCC1)N[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000494202961 564818732 /nfs/dbraw/zinc/81/87/32/564818732.db2.gz ZKOCTOODUDIHEI-INIZCTEOSA-N 1 0 395.345 2.813 20 0 GFADRO C[NH2+]Cc1ccc(NC(=O)c2sccc2S(=O)(=O)N2CCCC2)cc1 ZINC000581825267 564819080 /nfs/dbraw/zinc/81/90/80/564819080.db2.gz KNHGXEADOYQICW-UHFFFAOYSA-N 1 0 379.507 2.504 20 0 GFADRO C[C@H]([NH2+][C@]1(C)CCO[C@@H]1C)C(=O)Nc1cccc(I)c1 ZINC000494236577 564819664 /nfs/dbraw/zinc/81/96/64/564819664.db2.gz FBSBSAQKXCBPOT-FIXISWKDSA-N 1 0 388.249 2.775 20 0 GFADRO C[C@H]1C[C@@H](NS(=O)(=O)CCc2ccccc2Br)C[N@@H+]1C1CC1 ZINC000462112686 564820455 /nfs/dbraw/zinc/82/04/55/564820455.db2.gz PDRQPRBWIOBYMY-GXTWGEPZSA-N 1 0 387.343 2.536 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)c2ncc(Br)cc2Br)C1 ZINC000581883282 564821603 /nfs/dbraw/zinc/82/16/03/564821603.db2.gz VMJNNWLQFRUEQG-IUCAKERBSA-N 1 0 391.107 2.806 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)c2ncc(Br)cc2Br)C1 ZINC000581883281 564822043 /nfs/dbraw/zinc/82/20/43/564822043.db2.gz VMJNNWLQFRUEQG-DTWKUNHWSA-N 1 0 391.107 2.806 20 0 GFADRO Cc1cscc1CNC(=O)C(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000581907263 564822874 /nfs/dbraw/zinc/82/28/74/564822874.db2.gz INUIJTCPRNOGQH-MRXNPFEDSA-N 1 0 379.913 2.745 20 0 GFADRO Cc1ccc(S(=O)(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)cc1Br ZINC000462140232 564823225 /nfs/dbraw/zinc/82/32/25/564823225.db2.gz MAOPHPGCJPEALN-CYBMUJFWSA-N 1 0 375.332 2.720 20 0 GFADRO O=C(N[C@@H]1CCN(c2ccccc2Br)C1)[C@@H]1CCc2cncn2C1 ZINC000581946601 564823389 /nfs/dbraw/zinc/82/33/89/564823389.db2.gz VAVUXNQMDNWPOG-ZIAGYGMSSA-N 1 0 389.297 2.603 20 0 GFADRO CC[C@@H]([NH2+]Cc1ccc(C[NH3+])cc1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000581943990 564823449 /nfs/dbraw/zinc/82/34/49/564823449.db2.gz LLXLNKCSTVTVGD-QGZVFWFLSA-N 1 0 381.929 2.948 20 0 GFADRO CC[N@H+](CCNS(=O)(=O)c1cnn(-c2ccc(Cl)cc2)c1C)C1CC1 ZINC000462154922 564825098 /nfs/dbraw/zinc/82/50/98/564825098.db2.gz HCUBLRYAMQMCTE-UHFFFAOYSA-N 1 0 382.917 2.597 20 0 GFADRO Cc1cccc(CNC(=O)[C@]2([NH3+])[C@@H]3CCCO[C@@H]3C2(C)C)c1Br ZINC000582001911 564826301 /nfs/dbraw/zinc/82/63/01/564826301.db2.gz SCNFHNYBAWFQAZ-QIIPPGSGSA-N 1 0 381.314 2.906 20 0 GFADRO C[N@@H+]1CC[C@H]2OCCN(C(=O)[C@@H]3C[C@H]3c3csc(Br)c3)[C@@H]2C1 ZINC000529326557 564829632 /nfs/dbraw/zinc/82/96/32/564829632.db2.gz YPEZOUOOEXSMOQ-REWJHTLYSA-N 1 0 385.327 2.546 20 0 GFADRO C[C@@H](NC(=O)N1CCCO[C@@H](C[NH3+])C1)c1cc(F)c(Br)cc1F ZINC000529346850 564829982 /nfs/dbraw/zinc/82/99/82/564829982.db2.gz FQQGBPOJKDCKKO-ZJUUUORDSA-N 1 0 392.244 2.548 20 0 GFADRO O=C(N[C@@H]1CC[NH2+]C12CCC2)N1CCO[C@@H](c2cccc(Br)c2)C1 ZINC000529366665 564831577 /nfs/dbraw/zinc/83/15/77/564831577.db2.gz OHVZKNSTPXSRDL-HZPDHXFCSA-N 1 0 394.313 2.817 20 0 GFADRO CC[C@H]([NH2+]CC(=O)Nc1ccc(I)cc1)[C@H]1CCOC1 ZINC000556608374 564831846 /nfs/dbraw/zinc/83/18/46/564831846.db2.gz HIIAFGLIUOAHHN-FZMZJTMJSA-N 1 0 388.249 2.634 20 0 GFADRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)NCc3cc(F)c(Br)cc3F)C[C@H]21 ZINC000529370554 564832001 /nfs/dbraw/zinc/83/20/01/564832001.db2.gz QEZJCUKUNMUOIW-ZVWUFJHRSA-N 1 0 388.256 2.996 20 0 GFADRO O=C(c1c(Br)ccc2ccccc21)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000529386729 564832964 /nfs/dbraw/zinc/83/29/64/564832964.db2.gz IPYXQZUDWOFQMI-CABCVRRESA-N 1 0 389.293 2.883 20 0 GFADRO C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)CC2(C[NH3+])CC2)CC1 ZINC000582178963 564834286 /nfs/dbraw/zinc/83/42/86/564834286.db2.gz CGTCDASJGIFUBS-CQSZACIVSA-N 1 0 380.330 2.783 20 0 GFADRO Cc1ccc(C[C@@H](CO)C[NH2+]C[C@@](C)(O)C(F)(F)F)cc1Br ZINC000582181273 564834481 /nfs/dbraw/zinc/83/44/81/564834481.db2.gz OFROBCPFAOIUDE-TZMCWYRMSA-N 1 0 384.236 2.811 20 0 GFADRO COC(=O)[C@@H](c1ccc(Cl)cc1Cl)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000494703951 564837008 /nfs/dbraw/zinc/83/70/08/564837008.db2.gz RXYXSOQTXADCTH-CXAGYDPISA-N 1 0 387.307 2.862 20 0 GFADRO O[C@H](C[NH2+]CCc1cn2c(n1)SCC2)COc1c(Cl)cccc1Cl ZINC000582297165 564839641 /nfs/dbraw/zinc/83/96/41/564839641.db2.gz QVLLSZYLYYNFNG-GFCCVEGCSA-N 1 0 388.320 2.868 20 0 GFADRO CC[C@H]1CN(Cc2ncc(Cl)cc2Br)CC[N@@H+]1C[C@H](C)O ZINC000529528037 564839914 /nfs/dbraw/zinc/83/99/14/564839914.db2.gz FOGQYTRBFOHWQQ-AAEUAGOBSA-N 1 0 376.726 2.775 20 0 GFADRO Cc1ccc(Br)c(S(=O)(=O)NCC[NH2+][C@H](C)C2(C)CC2)c1 ZINC000556911494 564845946 /nfs/dbraw/zinc/84/59/46/564845946.db2.gz KEVWXSDSTWCUEN-GFCCVEGCSA-N 1 0 375.332 2.814 20 0 GFADRO CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCN(c3ccc(Cl)cc3F)C2=O)C1 ZINC000529666205 564845976 /nfs/dbraw/zinc/84/59/76/564845976.db2.gz RSGQPTHYQMSCKB-GZBFAFLISA-N 1 0 388.892 2.530 20 0 GFADRO O[C@H](COc1ccc(Br)cc1)C[N@@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000495015112 564846045 /nfs/dbraw/zinc/84/60/45/564846045.db2.gz DZHFNVZUBOFSLP-HIFRSBDPSA-N 1 0 380.286 2.792 20 0 GFADRO Cc1cc(Br)c(S(=O)(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)s1 ZINC000462533687 564846245 /nfs/dbraw/zinc/84/62/45/564846245.db2.gz VFDNWQVWRRTUNI-RYUDHWBXSA-N 1 0 379.345 2.724 20 0 GFADRO C[C@@H]([NH2+][C@@H](C)CC(=O)N(C)Cc1ccccc1Cl)C1(S(C)(=O)=O)CC1 ZINC000556922911 564847089 /nfs/dbraw/zinc/84/70/89/564847089.db2.gz YDAGRTOFSCPYIP-UONOGXRCSA-N 1 0 386.945 2.632 20 0 GFADRO O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1cccc(OCc2ccccc2Br)c1 ZINC000495155793 564849750 /nfs/dbraw/zinc/84/97/50/564849750.db2.gz IRHJPLKHRZFMME-VQFNDLOPSA-N 1 0 387.277 2.976 20 0 GFADRO [NH3+]C[C@H]1CCCN(C(=O)[C@H](c2ccc(Br)cc2)N2CCCC2)C1 ZINC000582545627 564850836 /nfs/dbraw/zinc/85/08/36/564850836.db2.gz VWELJFHKGPOMDI-PBHICJAKSA-N 1 0 380.330 2.783 20 0 GFADRO CN(CC(C)(C)C[NH3+])C(=O)Nc1ccc(I)cc1F ZINC000582556859 564852148 /nfs/dbraw/zinc/85/21/48/564852148.db2.gz HHJSHBZCHBLLOB-UHFFFAOYSA-N 1 0 379.217 2.879 20 0 GFADRO COc1cc(C(=O)N2CCC(C[NH+](C)C)CC2)cc(OC)c1Br ZINC000495268865 564852579 /nfs/dbraw/zinc/85/25/79/564852579.db2.gz DATVKTQMLOKWAZ-UHFFFAOYSA-N 1 0 385.302 2.880 20 0 GFADRO CC(C)(C)[C@H](CCO)[NH2+]CCS(=O)(=O)c1ccc(Br)cc1 ZINC000495428105 564853428 /nfs/dbraw/zinc/85/34/28/564853428.db2.gz VOLOWIMOMFEERO-AWEZNQCLSA-N 1 0 378.332 2.610 20 0 GFADRO O[C@H](C[NH2+]Cc1cc(Br)cc(Br)c1)[C@@H]1CCOC1 ZINC000582627838 564854725 /nfs/dbraw/zinc/85/47/25/564854725.db2.gz GZGDPUWCAVTKAY-ZWNOBZJWSA-N 1 0 379.092 2.699 20 0 GFADRO C[C@H](NC(=O)NC[C@H]1CCC[NH2+]C1)c1cc2c(cc1Br)OCCO2 ZINC000557121352 564855028 /nfs/dbraw/zinc/85/50/28/564855028.db2.gz ZTBKJRFGQYIHEE-RYUDHWBXSA-N 1 0 398.301 2.580 20 0 GFADRO CS[C@@H]1CN(C(=O)[C@@H](C)Sc2ccc(NC(C)=O)cc2)C[C@@H]1[NH+](C)C ZINC000495591949 564855443 /nfs/dbraw/zinc/85/54/43/564855443.db2.gz BSFLRCHNXJXYPJ-OAUYIBNBSA-N 1 0 381.567 2.630 20 0 GFADRO CN(CC[C@H]1CCCC[N@@H+]1C)S(=O)(=O)N(C)Cc1c(F)cccc1Cl ZINC000462711511 564856411 /nfs/dbraw/zinc/85/64/11/564856411.db2.gz PSXAHXMFSQDHII-CQSZACIVSA-N 1 0 391.940 2.962 20 0 GFADRO CCn1c(CNC(=O)NCC[C@H]2CCC[NH2+]2)nc2cc(Br)ccc21 ZINC000557204826 564857752 /nfs/dbraw/zinc/85/77/52/564857752.db2.gz KOSDXBBUKGBHIY-CYBMUJFWSA-N 1 0 394.317 2.760 20 0 GFADRO C[C@H]1CCCC[N@@H+]1CCNc1ncnc2ccc(I)cc21 ZINC000462782815 564858140 /nfs/dbraw/zinc/85/81/40/564858140.db2.gz GIOPNCZIRLTXPG-LBPRGKRZSA-N 1 0 396.276 3.521 20 0 GFADRO COC(=O)c1cc(C[NH2+]Cc2cc3c(c(Br)c2)OCO3)n(C)c1C ZINC000462775736 564858195 /nfs/dbraw/zinc/85/81/95/564858195.db2.gz HSKAWUQZXDLKKF-UHFFFAOYSA-N 1 0 395.253 2.901 20 0 GFADRO O=C(NC[C@H]1CC[N@@H+]1C1CCCC1)c1cc2c(c(Br)c1)OCO2 ZINC000530023858 564860592 /nfs/dbraw/zinc/86/05/92/564860592.db2.gz IQQZHCARWVTNGV-CYBMUJFWSA-N 1 0 381.270 2.925 20 0 GFADRO COCCn1ccc(C(=O)N[C@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)n1 ZINC000530032056 564860823 /nfs/dbraw/zinc/86/08/23/564860823.db2.gz FFQSTJSZVOIMHQ-MRXNPFEDSA-N 1 0 385.295 2.869 20 0 GFADRO Cc1ccc(I)c(C(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)c1 ZINC000462891733 564862302 /nfs/dbraw/zinc/86/23/02/564862302.db2.gz STFGJTATBXOBFJ-SWLSCSKDSA-N 1 0 384.261 2.718 20 0 GFADRO CC[NH+](CC)CCN(C(=O)[C@@H]1CCO[C@H]1C)c1ccc(Br)cn1 ZINC000582787963 564862773 /nfs/dbraw/zinc/86/27/73/564862773.db2.gz BDHHMULWMZPSGB-DZGCQCFKSA-N 1 0 384.318 2.944 20 0 GFADRO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]CC(=O)Nc2ccccc2Cl)cc1 ZINC000557480018 564864270 /nfs/dbraw/zinc/86/42/70/564864270.db2.gz UAQVBJAOEGPVPX-GFCCVEGCSA-N 1 0 381.885 2.537 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCCCN1S(=O)(=O)c1cc(F)c(Br)cc1F ZINC000497352170 564865699 /nfs/dbraw/zinc/86/56/99/564865699.db2.gz IEKGPVNBXRWPCZ-QPUJVOFHSA-N 1 0 383.258 2.618 20 0 GFADRO C[C@@H]1C[N@H+](C)C[C@@H]1c1nc(Cc2cc3c(cc2Br)OCO3)no1 ZINC000463047413 564868114 /nfs/dbraw/zinc/86/81/14/564868114.db2.gz DXTZGGAPEZZSNE-KOLCDFICSA-N 1 0 380.242 2.817 20 0 GFADRO C[C@H](CNC(=O)N1CC[C@@H]2CC[N@H+](C)C[C@H]21)Oc1ccc(Br)cc1 ZINC000497491067 564869168 /nfs/dbraw/zinc/86/91/68/564869168.db2.gz FEXKPTMJZZULKF-JKIFEVAISA-N 1 0 396.329 2.952 20 0 GFADRO C[NH+](C)CCN1CCN(C(=O)CCCc2ccc(Br)s2)CC1 ZINC000497521779 564870471 /nfs/dbraw/zinc/87/04/71/564870471.db2.gz UHPJPPVBBNDIRV-UHFFFAOYSA-N 1 0 388.375 2.539 20 0 GFADRO Cc1nc(NC(=O)C[C@H](C)[C@@H]2CCC[NH2+]C2)ccc1I ZINC000463140695 564870960 /nfs/dbraw/zinc/87/09/60/564870960.db2.gz HMYJAIILLQRNJB-CMPLNLGQSA-N 1 0 387.265 2.959 20 0 GFADRO Brc1cc(CN2CCC(CO[C@@H]3CC[NH2+]C3)CC2)cc2c1OCO2 ZINC000530239649 564872838 /nfs/dbraw/zinc/87/28/38/564872838.db2.gz HKJQFFFIRJFDKH-OAHLLOKOSA-N 1 0 397.313 2.768 20 0 GFADRO CC(C)c1nc(S(=O)(=O)NC[C@@H](c2cccs2)N2CCCC2)cn1C ZINC000583072999 564874646 /nfs/dbraw/zinc/87/46/46/564874646.db2.gz JFZPYUZEYCGDSK-AWEZNQCLSA-N 1 0 382.555 2.720 20 0 GFADRO CN(C(=O)NCc1cc(Br)cc2c1OCC2)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000463264566 564874720 /nfs/dbraw/zinc/87/47/20/564874720.db2.gz ZHIIHJWEYHKPBA-INIZCTEOSA-N 1 0 394.313 2.762 20 0 GFADRO Cc1[nH]c(=O)c(C(=O)N2CCC([NH+]3CCCCC3)CC2)cc1Br ZINC000463330046 564876532 /nfs/dbraw/zinc/87/65/32/564876532.db2.gz YCTRCPWULYUOFN-UHFFFAOYSA-N 1 0 382.302 2.949 20 0 GFADRO CC[NH+](CC)CCO[C@@H]1CCN(S(=O)(=O)c2c(Cl)ccc(F)c2F)C1 ZINC000557790092 564876960 /nfs/dbraw/zinc/87/69/60/564876960.db2.gz ZSWKCEYBTXLHRR-GFCCVEGCSA-N 1 0 396.887 2.740 20 0 GFADRO CCCNC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(Br)cc1OCCCO ZINC000463370740 564877266 /nfs/dbraw/zinc/87/72/66/564877266.db2.gz XJTODIDWDPZNSU-STQMWFEESA-N 1 0 387.318 2.776 20 0 GFADRO CCN(C)C(=O)CC[NH2+][C@H](C)c1ccc(Br)cc1OCCCO ZINC000463363208 564877567 /nfs/dbraw/zinc/87/75/67/564877567.db2.gz YXSPAKHBQCXIDD-CYBMUJFWSA-N 1 0 387.318 2.729 20 0 GFADRO CC(C)NC(=O)CC[NH2+][C@H](C)c1ccc(Br)cc1OCCCO ZINC000463371124 564877752 /nfs/dbraw/zinc/87/77/52/564877752.db2.gz YJVXQDYAYIWCAG-CYBMUJFWSA-N 1 0 387.318 2.776 20 0 GFADRO NS(=O)(=O)c1ccc(NC2CC([NH+]3CCCCC3)C2)c(C(F)(F)F)c1 ZINC000530430419 564881545 /nfs/dbraw/zinc/88/15/45/564881545.db2.gz MHFMNVYTFYBPFF-UHFFFAOYSA-N 1 0 377.432 2.782 20 0 GFADRO CCN(CC[NH+]1CCCCCC1)S(=O)(=O)c1cnccc1C(F)(F)F ZINC000557850877 564881742 /nfs/dbraw/zinc/88/17/42/564881742.db2.gz WANAHAFLQXDRGU-UHFFFAOYSA-N 1 0 379.448 2.987 20 0 GFADRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1S(=O)(=O)c1ccc(OC(F)F)c(F)c1 ZINC000557855063 564882344 /nfs/dbraw/zinc/88/23/44/564882344.db2.gz NRMQMSFSBXHCPL-RISCZKNCSA-N 1 0 378.416 2.674 20 0 GFADRO [NH3+]Cc1cc(C(=O)NC[C@H]2CCN(c3ccc(Br)cc3)C2)ccn1 ZINC000463477700 564882613 /nfs/dbraw/zinc/88/26/13/564882613.db2.gz JKLVTMBRBUASOT-CYBMUJFWSA-N 1 0 389.297 2.559 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NCc2cccc(Cl)c2Cl)[C@H](C)C1 ZINC000583277395 564884823 /nfs/dbraw/zinc/88/48/23/564884823.db2.gz SJDZTOJXIRAMMW-IUODEOHRSA-N 1 0 386.323 2.798 20 0 GFADRO O=C(NCc1ccccc1Br)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000530574222 564888119 /nfs/dbraw/zinc/88/81/19/564888119.db2.gz NYSAVEFSQDNVNE-LJQANCHMSA-N 1 0 389.293 2.702 20 0 GFADRO C[NH+](C)[C@@]1(CNS(=O)(=O)c2csc(-c3ccccc3)n2)CCSC1 ZINC000530652003 564890554 /nfs/dbraw/zinc/89/05/54/564890554.db2.gz TWAWBDJALNUFKM-MRXNPFEDSA-N 1 0 383.564 2.526 20 0 GFADRO CC(=O)NCC[C@@H]1CCC[N@H+](C[C@@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000558156084 564894604 /nfs/dbraw/zinc/89/46/04/564894604.db2.gz UNSJXAVKOZNCJG-LSDHHAIUSA-N 1 0 389.323 2.971 20 0 GFADRO COC[C@H]([NH2+]CCCNS(=O)(=O)c1ccccc1Cl)c1ccccc1 ZINC000558253540 564896278 /nfs/dbraw/zinc/89/62/78/564896278.db2.gz CWRILPHDVYBKES-KRWDZBQOSA-N 1 0 382.913 2.986 20 0 GFADRO CC[C@H]1CC[C@@H]1[NH2+]CCNS(=O)(=O)c1cc(C)ccc1Br ZINC000558253746 564896386 /nfs/dbraw/zinc/89/63/86/564896386.db2.gz JHEBDMCTKNPYRH-JSGCOSHPSA-N 1 0 375.332 2.814 20 0 GFADRO C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]C[C@@H](CO)c1cccnc1 ZINC000558274967 564897208 /nfs/dbraw/zinc/89/72/08/564897208.db2.gz DRBGRZUHRWCPDW-ZFWWWQNUSA-N 1 0 392.297 2.927 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)c1cc(=O)[nH]c2c(Br)cccc12 ZINC000530924657 564898125 /nfs/dbraw/zinc/89/81/25/564898125.db2.gz ZWJIZWPYZDSSRT-SNVBAGLBSA-N 1 0 376.254 2.669 20 0 GFADRO CC[C@H](NC(=O)C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21)c1ccc(Cl)s1 ZINC000558333077 564898208 /nfs/dbraw/zinc/89/82/08/564898208.db2.gz STSUXNAUROUACY-RDBSUJKOSA-N 1 0 383.945 2.912 20 0 GFADRO O=C(Nc1nnc(CC(F)(F)F)s1)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000583679952 564902169 /nfs/dbraw/zinc/90/21/69/564902169.db2.gz OEXXQLLXGUIGIZ-JTQLQIEISA-N 1 0 380.461 2.799 20 0 GFADRO CC[N@@H+]1C[C@@H](C)N(C(=O)c2cc(Br)c3c(c2)OCCO3)C[C@@H]1C ZINC000498572276 564902561 /nfs/dbraw/zinc/90/25/61/564902561.db2.gz OWNQLLNDQFGEDR-NWDGAFQWSA-N 1 0 383.286 2.775 20 0 GFADRO C[NH+]1CCC(CNC(=O)Nc2ccc3nccnc3c2Br)CC1 ZINC000558490028 564903535 /nfs/dbraw/zinc/90/35/35/564903535.db2.gz WYYOGYUBGWEWRO-UHFFFAOYSA-N 1 0 378.274 2.856 20 0 GFADRO COC[C@@H]([NH2+]CCN(C)S(=O)(=O)c1cccs1)c1cccc(Cl)c1 ZINC000558493739 564904034 /nfs/dbraw/zinc/90/40/34/564904034.db2.gz UKIWDDDFAPPZFQ-OAHLLOKOSA-N 1 0 388.942 2.999 20 0 GFADRO CC[NH+](CC)C[C@H](C)NC(=O)NCc1cc2c(c(Br)c1)OCO2 ZINC000531246412 564904680 /nfs/dbraw/zinc/90/46/80/564904680.db2.gz SRXUIVGXGWZHSQ-NSHDSACASA-N 1 0 386.290 2.707 20 0 GFADRO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1cc(C)c(Br)cc1F ZINC000498661814 564905167 /nfs/dbraw/zinc/90/51/67/564905167.db2.gz KBHMGTYYUWPTCG-NSHDSACASA-N 1 0 388.281 2.682 20 0 GFADRO CC[NH+]1CCN(CCC(=O)NCc2ccc(-c3csc(C)n3)s2)CC1 ZINC000531282806 564905804 /nfs/dbraw/zinc/90/58/04/564905804.db2.gz KYBFFFPFXNCMOR-UHFFFAOYSA-N 1 0 378.567 2.824 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1cc(Cl)ccc1C(F)(F)F)C1CC1 ZINC000498689631 564905919 /nfs/dbraw/zinc/90/59/19/564905919.db2.gz VDOMEBBMRHQSBB-ZDUSSCGKSA-N 1 0 377.794 2.754 20 0 GFADRO CN(C)S(=O)(=O)N1CCC[C@@H]([NH2+][C@@H]2CC[C@H](c3ccc(Cl)cc3)C2)C1 ZINC000583793119 564908220 /nfs/dbraw/zinc/90/82/20/564908220.db2.gz XIPXISASDAAUIA-CGTJXYLNSA-N 1 0 385.961 2.837 20 0 GFADRO O=C(N[C@H]1COc2cc(F)c(Br)cc21)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000558672529 564910913 /nfs/dbraw/zinc/91/09/13/564910913.db2.gz JVPGBNAJYYCHTD-ABAIWWIYSA-N 1 0 398.276 2.901 20 0 GFADRO O=S(=O)(CCN1CC[C@H]2C[NH2+]C[C@H]2CC1)c1cc(Cl)ccc1Cl ZINC000583935096 564913430 /nfs/dbraw/zinc/91/34/30/564913430.db2.gz PDQSYDQHZJNTMQ-BETUJISGSA-N 1 0 377.337 2.699 20 0 GFADRO CCS[C@@H]1CC[C@@H]([N@H+](C)CC(=O)Nc2ccccc2SCC(N)=O)C1 ZINC000464768320 564917335 /nfs/dbraw/zinc/91/73/35/564917335.db2.gz BRSGDJLNYIPPPM-ZIAGYGMSSA-N 1 0 381.567 2.809 20 0 GFADRO Cc1nccn1CC[NH+]1CCN(Cc2ccc(Br)c(F)c2)CC1 ZINC000499069035 564917708 /nfs/dbraw/zinc/91/77/08/564917708.db2.gz LDFDOKFRZUUMSF-UHFFFAOYSA-N 1 0 381.293 2.911 20 0 GFADRO C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CC1(C(N)=O)CCCC1 ZINC000531712752 564918384 /nfs/dbraw/zinc/91/83/84/564918384.db2.gz DKILSTLCTAYYTJ-LBPRGKRZSA-N 1 0 382.302 2.802 20 0 GFADRO C[C@@H](NC(=O)C[N@@H+]1CCC[C@]2(CNC(=O)C2)C1)c1ccc(Cl)cc1Cl ZINC000464803098 564918547 /nfs/dbraw/zinc/91/85/47/564918547.db2.gz VYLOFHKIEFRADT-XIKOKIGWSA-N 1 0 384.307 2.773 20 0 GFADRO CCS(=O)(=O)N(C)CCC[NH2+][C@H](COC)c1cccc(C(F)(F)F)c1 ZINC000531937823 564924612 /nfs/dbraw/zinc/92/46/12/564924612.db2.gz MYGJYWNCSQJEEP-OAHLLOKOSA-N 1 0 382.448 2.654 20 0 GFADRO CS[C@H]1CN(C(=O)Cc2ccc(Br)cc2O)C[C@H]1[NH+]1CCCC1 ZINC000499399218 564926255 /nfs/dbraw/zinc/92/62/55/564926255.db2.gz CZNDESDIJDEZMO-ZBFHGGJFSA-N 1 0 399.354 2.735 20 0 GFADRO CCOCC(C)(C)[NH2+]CC(=O)Nc1cccc(I)c1 ZINC000559299301 564929543 /nfs/dbraw/zinc/92/95/43/564929543.db2.gz HGQXCWMXQKPNDM-UHFFFAOYSA-N 1 0 376.238 2.634 20 0 GFADRO C[C@@H](NC(=O)C[N@@H+]1CCC[C@H](CCC(N)=O)C1)c1ccc(Br)cc1 ZINC000559437006 564932975 /nfs/dbraw/zinc/93/29/75/564932975.db2.gz RXBLCVXCNAPMEL-ZIAGYGMSSA-N 1 0 396.329 2.604 20 0 GFADRO COc1nc(N(C)CC2CCN(c3cc[nH+]cc3)CC2)ncc1Br ZINC000499664941 564933293 /nfs/dbraw/zinc/93/32/93/564933293.db2.gz YVXCXPYJFNDNCU-UHFFFAOYSA-N 1 0 392.301 2.996 20 0 GFADRO C[C@H](CNC(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1)Oc1ccc(Br)cc1 ZINC000466032195 564934861 /nfs/dbraw/zinc/93/48/61/564934861.db2.gz HWYQYSWPKZHGBX-GZBFAFLISA-N 1 0 384.318 2.998 20 0 GFADRO COCCC[N@H+](C)CCNC(=O)N1Cc2cc(Br)ccc2C[C@H]1C ZINC000499753801 564935566 /nfs/dbraw/zinc/93/55/66/564935566.db2.gz CIXWGWONMSXZNT-CQSZACIVSA-N 1 0 398.345 2.874 20 0 GFADRO COCC[N@@H+]1CC[C@H](NC(=O)N2Cc3cc(Br)ccc3C[C@H]2C)C1 ZINC000499803878 564937038 /nfs/dbraw/zinc/93/70/38/564937038.db2.gz SVFMSYSGKCFTLO-DYVFJYSZSA-N 1 0 396.329 2.626 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)NCc1cnn(CC(F)(F)F)c1)c1cccs1 ZINC000532425833 564938553 /nfs/dbraw/zinc/93/85/53/564938553.db2.gz IXUVPALUIMDGBI-GFCCVEGCSA-N 1 0 375.420 2.609 20 0 GFADRO O=C(CC(F)(F)F)N1CCC([NH2+]Cc2cncc(Br)c2)CC1 ZINC000466356939 564938730 /nfs/dbraw/zinc/93/87/30/564938730.db2.gz RPGVDUGAYNQKSQ-UHFFFAOYSA-N 1 0 380.208 2.877 20 0 GFADRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)COc1c(Cl)cccc1Cl ZINC000499923788 564940349 /nfs/dbraw/zinc/94/03/49/564940349.db2.gz VWWMTZJPYRWIJG-CYBMUJFWSA-N 1 0 375.296 2.941 20 0 GFADRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)NCc1c(Cl)cccc1Cl ZINC000559805658 564940388 /nfs/dbraw/zinc/94/03/88/564940388.db2.gz ZXEZWWSHAAEKIX-LBPRGKRZSA-N 1 0 386.323 2.798 20 0 GFADRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)c1cccc(F)c1I ZINC000532754751 564944293 /nfs/dbraw/zinc/94/42/93/564944293.db2.gz PNSHQHCVIRQATJ-LLVKDONJSA-N 1 0 390.240 2.844 20 0 GFADRO CO[C@H](C)C[N@H+](CC(=O)Nc1ccccc1I)C(C)C ZINC000532972971 564950619 /nfs/dbraw/zinc/95/06/19/564950619.db2.gz XTDIXPMGVLBSHV-GFCCVEGCSA-N 1 0 390.265 2.975 20 0 GFADRO CC[NH+](CC)CCNC(=O)[C@H](C)Oc1ccc(I)cc1 ZINC000466940591 564951018 /nfs/dbraw/zinc/95/10/18/564951018.db2.gz YIBAVKDJYVAZTC-LBPRGKRZSA-N 1 0 390.265 2.517 20 0 GFADRO C[NH+]1CCN(CCNC(=O)c2cccn2-c2c(Cl)cccc2Cl)CC1 ZINC000466980469 564951563 /nfs/dbraw/zinc/95/15/63/564951563.db2.gz GMEVCAVCJTXETG-UHFFFAOYSA-N 1 0 381.307 2.761 20 0 GFADRO COc1ccc(Br)c(C(=O)NCCC[NH2+][C@@H](C)COC(C)C)c1 ZINC000500429207 564952477 /nfs/dbraw/zinc/95/24/77/564952477.db2.gz NCACKSSZFCJXEW-ZDUSSCGKSA-N 1 0 387.318 2.981 20 0 GFADRO C[NH+](C)[C@H]1CCCN(C(=O)c2cccc(F)c2I)C1 ZINC000533085152 564953296 /nfs/dbraw/zinc/95/32/96/564953296.db2.gz ZAQUUGQWEVCOFD-JTQLQIEISA-N 1 0 376.213 2.597 20 0 GFADRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2cccc(F)c2I)C1 ZINC000533077492 564953699 /nfs/dbraw/zinc/95/36/99/564953699.db2.gz OCMZNHUSKGZGOD-LLVKDONJSA-N 1 0 390.240 2.844 20 0 GFADRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1cnn(-c2ccc(Br)cc2)c1 ZINC000467024509 564953701 /nfs/dbraw/zinc/95/37/01/564953701.db2.gz PBCPKZLTDHBMCT-PXAZEXFGSA-N 1 0 389.297 2.847 20 0 GFADRO CCOc1c(Cl)cc(C[NH2+][C@@H]2CCC[C@H]2CNS(C)(=O)=O)cc1OC ZINC000500571360 564957295 /nfs/dbraw/zinc/95/72/95/564957295.db2.gz OKMHOVDJAKOGBH-DZGCQCFKSA-N 1 0 390.933 2.555 20 0 GFADRO CCOC(=O)c1oc2ccc(Br)cc2c1C[N@H+](C)CCC(=O)NC ZINC000533275806 564959700 /nfs/dbraw/zinc/95/97/00/564959700.db2.gz DTAUDQRXZCIPGP-UHFFFAOYSA-N 1 0 397.269 2.940 20 0 GFADRO Cc1nc2sccn2c(=O)c1CC[N@@H+]1CCC[C@H](OCC(F)(F)F)C1 ZINC000560464096 564963068 /nfs/dbraw/zinc/96/30/68/564963068.db2.gz QPZXMLPXPXSXLW-LBPRGKRZSA-N 1 0 375.416 2.650 20 0 GFADRO C[C@@H](C(=O)NC[C@@H](C[NH+](C)C)c1ccc(Cl)cc1)N(C)CC(F)(F)F ZINC000560505956 564965882 /nfs/dbraw/zinc/96/58/82/564965882.db2.gz WUIMTTVCSRMYLK-JSGCOSHPSA-N 1 0 379.854 2.984 20 0 GFADRO CC1CC[NH+](CCNC(=O)c2cccc(F)c2I)CC1 ZINC000533544625 564966067 /nfs/dbraw/zinc/96/60/67/564966067.db2.gz XGVGKRAUJHCLAF-UHFFFAOYSA-N 1 0 390.240 2.892 20 0 GFADRO C[C@H](c1ccccc1Br)N(C)C[C@@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000533560297 564966290 /nfs/dbraw/zinc/96/62/90/564966290.db2.gz DKBOBUHXCQMKNO-QKPAOTATSA-N 1 0 385.346 2.912 20 0 GFADRO Cc1cc(Cl)ccc1S(=O)(=O)NCC[NH2+][C@@H](C)Cc1ccc(O)cc1 ZINC000560524041 564966368 /nfs/dbraw/zinc/96/63/68/564966368.db2.gz LVFLDXFJSNLWCS-AWEZNQCLSA-N 1 0 382.913 2.853 20 0 GFADRO O=S(=O)(NCC[NH2+][C@H]1CCC12CCOCC2)c1cccc(Cl)c1Cl ZINC000560576048 564968121 /nfs/dbraw/zinc/96/81/21/564968121.db2.gz ZWYBOXDIZKVLLQ-AWEZNQCLSA-N 1 0 393.336 2.821 20 0 GFADRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1cn(-c2ccc(Br)cc2)cn1 ZINC000533694592 564970306 /nfs/dbraw/zinc/97/03/06/564970306.db2.gz YQSPMWBNPWJRHW-MLGOLLRUSA-N 1 0 389.297 2.847 20 0 GFADRO Cc1cc2c(o1)c(C(=O)NC[C@H](C)N1CC[NH+](C)CC1)ccc2Br ZINC000467841706 564973856 /nfs/dbraw/zinc/97/38/56/564973856.db2.gz NGOPSIBFLCAXGZ-LBPRGKRZSA-N 1 0 394.313 2.869 20 0 GFADRO C[NH+]1CCN(c2ccc(Br)cc2NC(=O)[C@H]2CCSC2)CC1 ZINC000501249614 564974593 /nfs/dbraw/zinc/97/45/93/564974593.db2.gz TTXQEDLCTSCMQX-LBPRGKRZSA-N 1 0 384.343 2.893 20 0 GFADRO C[C@H](CC(F)(F)F)[NH2+][C@@H](C)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000468044450 564977669 /nfs/dbraw/zinc/97/76/69/564977669.db2.gz IEKMTWAQZMFXCG-OLZOCXBDSA-N 1 0 380.432 2.699 20 0 GFADRO C[C@H](CC[NH+](C)C)NC(=O)N1CCO[C@@H](c2cccc(Br)c2)C1 ZINC000501409715 564978831 /nfs/dbraw/zinc/97/88/31/564978831.db2.gz SVWRKYOUGQEFQY-CZUORRHYSA-N 1 0 384.318 2.872 20 0 GFADRO CS[C@@H]1CN(C(=O)Cc2csc(-c3cccc(F)c3)n2)C[C@H]1[NH+](C)C ZINC000534091757 564979658 /nfs/dbraw/zinc/97/96/58/564979658.db2.gz OZYVOPMLIDBZBG-HZPDHXFCSA-N 1 0 379.526 2.996 20 0 GFADRO COCc1nc2n(n1)C[C@@H]([NH2+][C@H]1CCc3cccc(Br)c3C1)CC2 ZINC000561044808 564981950 /nfs/dbraw/zinc/98/19/50/564981950.db2.gz HJQFNRVDRYSVAQ-KBPBESRZSA-N 1 0 391.313 2.649 20 0 GFADRO Ic1ccc(CN2CCN(CC[NH+]3CCCC3)CC2)cc1 ZINC000561047724 564982404 /nfs/dbraw/zinc/98/24/04/564982404.db2.gz ABMWEOOUXRXGOU-UHFFFAOYSA-N 1 0 399.320 2.505 20 0 GFADRO CCCN(CCC[NH+](C)C)C(=O)NCc1cn2cc(Br)ccc2n1 ZINC000468531038 564985610 /nfs/dbraw/zinc/98/56/10/564985610.db2.gz LLYCSTPTMAJTBC-UHFFFAOYSA-N 1 0 396.333 2.970 20 0 GFADRO C[C@@H](O)C[N@@H+]1CCN(Cc2nnc(-c3c(Cl)cccc3Cl)o2)[C@H](C)C1 ZINC000501947858 564988663 /nfs/dbraw/zinc/98/86/63/564988663.db2.gz PFOPLUCFUKIQFZ-VXGBXAGGSA-N 1 0 385.295 2.930 20 0 GFADRO CC[NH+](CC)CCOCCNC(=O)N1CCc2ccc(Br)cc2C1 ZINC000501938868 564988715 /nfs/dbraw/zinc/98/87/15/564988715.db2.gz BNDRVSUVQUQICN-UHFFFAOYSA-N 1 0 398.345 2.875 20 0 GFADRO O=C(NCCC[NH2+]Cc1cn(-c2ccc(Cl)cc2Cl)nn1)C1CCC1 ZINC000534466883 564989273 /nfs/dbraw/zinc/98/92/73/564989273.db2.gz NPNSPYOJDAOQJV-UHFFFAOYSA-N 1 0 382.295 2.970 20 0 GFADRO COC(=O)c1cn(CC[NH2+][C@H]2C[C@@H](C)c3c2cccc3Br)nn1 ZINC000561298250 564989976 /nfs/dbraw/zinc/98/99/76/564989976.db2.gz KVAZYFXFBROUKC-MFKMUULPSA-N 1 0 379.258 2.665 20 0 GFADRO C[C@H](C[NH+]1CCCCCC1)NC(=O)NCCCn1cc(Br)cn1 ZINC000502124298 564992468 /nfs/dbraw/zinc/99/24/68/564992468.db2.gz YJTSWFLZGGBMKU-CQSZACIVSA-N 1 0 386.338 2.599 20 0 GFADRO C[C@H](CCc1ccc(I)cc1)[NH2+][C@@H](C)C(=O)NCCF ZINC000502364807 564996342 /nfs/dbraw/zinc/99/63/42/564996342.db2.gz JEJKWPAQUBHTBX-NEPJUHHUSA-N 1 0 392.256 2.676 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1c(F)cccc1OC(F)(F)F ZINC000561485637 564997228 /nfs/dbraw/zinc/99/72/28/564997228.db2.gz NQZNNIAJIMKGFB-LLVKDONJSA-N 1 0 384.395 2.877 20 0 GFADRO CC[NH+](CC)[C@H](CNC(=O)c1cc[nH]c(=O)c1Br)c1ccco1 ZINC000468908677 564998513 /nfs/dbraw/zinc/99/85/13/564998513.db2.gz JLGOOAYAONDNOZ-GFCCVEGCSA-N 1 0 382.258 2.956 20 0 GFADRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)[C@@H](C)c3cccc(Br)c3)[C@H]2C1 ZINC000502494515 565000325 /nfs/dbraw/zinc/00/03/25/565000325.db2.gz AMPHYTVSGANGTP-RRQGHBQHSA-N 1 0 381.314 2.874 20 0 GFADRO C[C@H](CNC(=O)Nc1cc(F)c(I)c(F)c1)[NH+](C)C ZINC000502632345 565002679 /nfs/dbraw/zinc/00/26/79/565002679.db2.gz FLJQKJFMRNABQX-SSDOTTSWSA-N 1 0 383.180 2.641 20 0 GFADRO CCCC[N@H+](C)C[C@H](C)NS(=O)(=O)c1cc2c(cc1Cl)CCC(=O)N2 ZINC000561733089 565007129 /nfs/dbraw/zinc/00/71/29/565007129.db2.gz OKOLELGTEREGSM-LBPRGKRZSA-N 1 0 387.933 2.623 20 0 GFADRO CCCC[N@H+](C)C[C@H](C)NS(=O)(=O)c1ccc(F)cc1Br ZINC000561734261 565007252 /nfs/dbraw/zinc/00/72/52/565007252.db2.gz PPFFJACFACSOPX-NSHDSACASA-N 1 0 381.311 2.987 20 0 GFADRO CNC(=O)[C@H]1CCC[C@H]1[NH2+]CCOc1ccc(Cl)cc1Br ZINC000502856907 565007533 /nfs/dbraw/zinc/00/75/33/565007533.db2.gz OOQIHBKBJKEUJJ-WCQYABFASA-N 1 0 375.694 2.986 20 0 GFADRO OCC[C@@H]1CCC[C@@H]1[NH2+]C[C@H](O)COc1ccc(Cl)cc1Br ZINC000502868160 565007722 /nfs/dbraw/zinc/00/77/22/565007722.db2.gz HEBQPZYMVKZJDE-WHOFXGATSA-N 1 0 392.721 2.983 20 0 GFADRO CC[NH+]1CCC(NC(=O)N[C@@H]2CCN(c3ccc(Br)cc3)C2)CC1 ZINC000502957142 565009383 /nfs/dbraw/zinc/00/93/83/565009383.db2.gz NVILEQHLCXDEHF-MRXNPFEDSA-N 1 0 395.345 2.811 20 0 GFADRO CCn1c(CNC(=O)N[C@@H](C)C[NH+](C)C)nc2cc(Br)ccc21 ZINC000503107883 565011572 /nfs/dbraw/zinc/01/15/72/565011572.db2.gz NKESNNQNPOAYRM-NSHDSACASA-N 1 0 382.306 2.568 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)C1(c2ccc(I)cc2)CC1)C1CC1 ZINC000503159226 565012211 /nfs/dbraw/zinc/01/22/11/565012211.db2.gz PJGHEHDBVSAVFO-OAHLLOKOSA-N 1 0 398.288 2.779 20 0 GFADRO Cc1ccc(C[NH2+][C@H](C)Cn2cc(Br)cn2)c(N2CCOCC2)c1 ZINC000469282321 565012219 /nfs/dbraw/zinc/01/22/19/565012219.db2.gz QWCGFUHQYNONDW-OAHLLOKOSA-N 1 0 393.329 2.969 20 0 GFADRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C[C@@H](O)COc1ccc(Br)cc1 ZINC000561898426 565012230 /nfs/dbraw/zinc/01/22/30/565012230.db2.gz AZKHMLFLAVWXTF-KYJSFNMBSA-N 1 0 383.330 2.747 20 0 GFADRO C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccc(S(C)(=O)=O)s1 ZINC000469340588 565014057 /nfs/dbraw/zinc/01/40/57/565014057.db2.gz YKFYPQXLFLRJPC-PBHICJAKSA-N 1 0 379.551 2.547 20 0 GFADRO CC[NH+]1CCN(CC(=O)N2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)CC1 ZINC000469375414 565015749 /nfs/dbraw/zinc/01/57/49/565015749.db2.gz OZDICTUWUFASEI-QGZVFWFLSA-N 1 0 386.323 2.531 20 0 GFADRO CC(C)[NH+](CCN(C)c1ccc(S(N)(=O)=O)c(C(F)(F)F)c1)C(C)C ZINC000503258545 565016347 /nfs/dbraw/zinc/01/63/47/565016347.db2.gz ZSDLIPOFFJEMGD-UHFFFAOYSA-N 1 0 381.464 2.908 20 0 GFADRO O=C(NC[C@H]1CCC[N@@H+]1Cc1ccccc1)c1cc[nH]c(=O)c1Br ZINC000469423279 565016780 /nfs/dbraw/zinc/01/67/80/565016780.db2.gz YJNMKPSLCNVGLX-CQSZACIVSA-N 1 0 390.281 2.944 20 0 GFADRO CC(C)[N@H+](C)C[C@H](C)NC(=O)C(=O)Nc1cc(F)cc(Br)c1F ZINC000562151144 565018737 /nfs/dbraw/zinc/01/87/37/565018737.db2.gz NFGYUCXLHVZDIW-VIFPVBQESA-N 1 0 392.244 2.511 20 0 GFADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CC(=O)Nc3ccc(Br)cc32)C1 ZINC000469477665 565018847 /nfs/dbraw/zinc/01/88/47/565018847.db2.gz IVGOWOXPCSXNCA-SWLSCSKDSA-N 1 0 394.313 2.675 20 0 GFADRO CN(Cc1cn(-c2ccccc2Br)nn1)C[C@@H]1CCC[N@H+](C)C1 ZINC000562199094 565019736 /nfs/dbraw/zinc/01/97/36/565019736.db2.gz MITSLVGJWLKFBH-CQSZACIVSA-N 1 0 378.318 2.803 20 0 GFADRO COCCC[N@H+](CCO)Cc1ccc(I)cc1Cl ZINC000503583044 565024247 /nfs/dbraw/zinc/02/42/47/565024247.db2.gz KSVJHHSZRHHFTL-UHFFFAOYSA-N 1 0 383.657 2.775 20 0 GFADRO C[N@@H+]1CC[C@H](C(=O)N2CCC[C@@H]2c2ccc(I)cc2)C1 ZINC000536039683 565027246 /nfs/dbraw/zinc/02/72/46/565027246.db2.gz MISTWCULIGMLAI-DZGCQCFKSA-N 1 0 384.261 2.906 20 0 GFADRO C[C@H](C(=O)Nc1cccc(Br)c1)[N@@H+]1CC[C@H](c2nccn2C)C1 ZINC000536062051 565028194 /nfs/dbraw/zinc/02/81/94/565028194.db2.gz TZOBJFCHDPCIAE-OLZOCXBDSA-N 1 0 377.286 2.999 20 0 GFADRO CO[C@@H]1CCN(Cc2cnn(-c3ccc(Br)cc3)c2)[C@@H](C[NH3+])C1 ZINC000469872825 565030302 /nfs/dbraw/zinc/03/03/02/565030302.db2.gz CTHMJQHZLXSMCS-IAGOWNOFSA-N 1 0 379.302 2.573 20 0 GFADRO COCCn1cc(C[NH2+][C@@H](C)c2ccc(I)cc2)cn1 ZINC000503912553 565031435 /nfs/dbraw/zinc/03/14/35/565031435.db2.gz RUPSJFXDGYJVQL-LBPRGKRZSA-N 1 0 385.249 2.985 20 0 GFADRO CCOC(=O)c1sc2ncnc(N3C[C@@H]([NH+](C)C)[C@@H](SC)C3)c2c1C ZINC000536174713 565031500 /nfs/dbraw/zinc/03/15/00/565031500.db2.gz WBTHBPGADBMCRW-NEPJUHHUSA-N 1 0 380.539 2.658 20 0 GFADRO O=S1(=O)CCO[C@H](C[NH2+][C@@H]2CCCCc3ccc(Br)cc32)C1 ZINC000562562813 565033827 /nfs/dbraw/zinc/03/38/27/565033827.db2.gz SBFAAEGAHMMSQJ-GDBMZVCRSA-N 1 0 388.327 2.620 20 0 GFADRO CC[N@@H+]1CCCC[C@H]1CNC(=O)N[C@H](CO)c1ccc(Br)cc1 ZINC000504059200 565034043 /nfs/dbraw/zinc/03/40/43/565034043.db2.gz DHWLMFIRUHAAGT-JKSUJKDBSA-N 1 0 384.318 2.656 20 0 GFADRO C[C@@H](CNC(=O)N[C@H](CO)c1ccc(Br)cc1)[NH+]1CCC(C)CC1 ZINC000504259543 565037207 /nfs/dbraw/zinc/03/72/07/565037207.db2.gz INYSTLUDABHXGR-WMLDXEAASA-N 1 0 398.345 2.902 20 0 GFADRO Cc1cc(Br)ccc1CC(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000470084177 565037931 /nfs/dbraw/zinc/03/79/31/565037931.db2.gz YLIJHOJQQMUMFG-HNNXBMFYSA-N 1 0 383.330 2.917 20 0 GFADRO C[C@H]1C[N@H+](CCCNC(=O)COc2ccc(Cl)cc2Cl)CCCO1 ZINC000470082509 565037942 /nfs/dbraw/zinc/03/79/42/565037942.db2.gz QXCDAAVRAYULTE-ZDUSSCGKSA-N 1 0 375.296 2.989 20 0 GFADRO O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)N1CCN(Cc2ccc(Cl)s2)CC1 ZINC000504310411 565038151 /nfs/dbraw/zinc/03/81/51/565038151.db2.gz STTBXFHCJFTSJQ-LSDHHAIUSA-N 1 0 382.961 2.856 20 0 GFADRO COc1ccc(C(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)cc1Br ZINC000470090482 565038196 /nfs/dbraw/zinc/03/81/96/565038196.db2.gz AQXKMWPRFRGNRK-ZDUSSCGKSA-N 1 0 385.302 2.688 20 0 GFADRO C[C@@H](CO)[N@@H+]1CCCN(C(=O)CSc2cccc(C(F)(F)F)c2)CC1 ZINC000470084320 565038236 /nfs/dbraw/zinc/03/82/36/565038236.db2.gz YZAPYRCGBQXUSF-ZDUSSCGKSA-N 1 0 376.444 2.713 20 0 GFADRO C[C@H](Cn1cc(Br)cn1)[NH2+][C@@H](CC(=O)N(C)C)c1ccccc1 ZINC000470173425 565040418 /nfs/dbraw/zinc/04/04/18/565040418.db2.gz LIXVQWBGBISXOA-CJNGLKHVSA-N 1 0 379.302 2.843 20 0 GFADRO C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+][C@@H]1CCC[C@H]1CNS(C)(=O)=O ZINC000504560537 565041307 /nfs/dbraw/zinc/04/13/07/565041307.db2.gz HLSRNCLEYBRWRL-IVMMDQJWSA-N 1 0 378.460 2.944 20 0 GFADRO Brc1cccc(OCC[NH2+]C2CCN(c3cnccn3)CC2)c1 ZINC000536882366 565048237 /nfs/dbraw/zinc/04/82/37/565048237.db2.gz LTNIHFOIKFFFAN-UHFFFAOYSA-N 1 0 377.286 2.877 20 0 GFADRO CO[C@H]1CCN(C(=O)CCc2cc(Cl)ccc2Br)[C@@H](C[NH3+])C1 ZINC000562972143 565050174 /nfs/dbraw/zinc/05/01/74/565050174.db2.gz GHUCJYOIHXIGFC-KGLIPLIRSA-N 1 0 389.721 3.000 20 0 GFADRO Cc1ccc(NC(=O)CC[NH2+]CCCCn2cc(Br)cn2)nc1 ZINC000563001984 565051463 /nfs/dbraw/zinc/05/14/63/565051463.db2.gz BOXFUFYINUKBKO-UHFFFAOYSA-N 1 0 380.290 2.748 20 0 GFADRO O[C@H](C[NH2+]CC1CCOCC1)COc1ccc(Cl)cc1Br ZINC000562988660 565051499 /nfs/dbraw/zinc/05/14/99/565051499.db2.gz AFXOVGQKGJEVIS-CYBMUJFWSA-N 1 0 378.694 2.858 20 0 GFADRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NCc1nc2c(cccc2Br)[nH]1 ZINC000563036978 565052718 /nfs/dbraw/zinc/05/27/18/565052718.db2.gz ZCPVMJRSWPOQBB-QMTHXVAHSA-N 1 0 392.301 2.607 20 0 GFADRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NCc1nc2c(cccc2Br)[nH]1 ZINC000563036980 565052731 /nfs/dbraw/zinc/05/27/31/565052731.db2.gz ZCPVMJRSWPOQBB-YGRLFVJLSA-N 1 0 392.301 2.607 20 0 GFADRO CC[NH+]1CCN(CC(=O)N2CC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)CC1 ZINC000470714499 565054447 /nfs/dbraw/zinc/05/44/47/565054447.db2.gz PDPIYPSZFFUZAW-OAHLLOKOSA-N 1 0 386.323 2.611 20 0 GFADRO O=C1N[C@]2(CCC[NH2+]C2)C(=O)N1Cc1nc(-c2ccccc2Cl)cs1 ZINC000563080594 565055538 /nfs/dbraw/zinc/05/55/38/565055538.db2.gz KZTYGAPXQKLBDV-KRWDZBQOSA-N 1 0 376.869 2.638 20 0 GFADRO CC[C@@H]([NH2+]CC(=O)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1)C(C)(C)C ZINC000537288938 565056152 /nfs/dbraw/zinc/05/61/52/565056152.db2.gz BELJXSCFRQZKDF-GDBMZVCRSA-N 1 0 386.583 2.678 20 0 GFADRO C[C@@H]([NH2+]Cc1ccnc(N(C)C)n1)c1ccc(I)cc1 ZINC000537304766 565056776 /nfs/dbraw/zinc/05/67/76/565056776.db2.gz UWSNOSZREUERBE-LLVKDONJSA-N 1 0 382.249 2.998 20 0 GFADRO Cc1ccc(S(=O)(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c(Br)c1 ZINC000563129628 565056894 /nfs/dbraw/zinc/05/68/94/565056894.db2.gz GJNWJULVGHXGOI-UONOGXRCSA-N 1 0 387.343 2.768 20 0 GFADRO O=C(NCC1(c2ccc(Cl)cc2Cl)CCC1)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000537723897 565062230 /nfs/dbraw/zinc/06/22/30/565062230.db2.gz NYTCKNOSLCVKNB-KRWDZBQOSA-N 1 0 382.335 2.921 20 0 GFADRO Brc1cccc(Br)c1OCCN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000684617423 565077138 /nfs/dbraw/zinc/07/71/38/565077138.db2.gz SUXVCFFQMDPASH-PHIMTYICSA-N 1 0 390.119 2.742 20 0 GFADRO O=S(=O)(N[C@@H]1CC[N@@H+](C2CCCCC2)C1)c1ccc(C(F)(F)F)nc1 ZINC000657161379 565080929 /nfs/dbraw/zinc/08/09/29/565080929.db2.gz OWOQXQMXASUHQV-GFCCVEGCSA-N 1 0 377.432 2.786 20 0 GFADRO O=S(=O)(N[C@H]1CC[N@@H+](C2CCCCC2)C1)c1ncccc1Br ZINC000657161273 565081462 /nfs/dbraw/zinc/08/14/62/565081462.db2.gz NIXKROIXMXQPEP-LBPRGKRZSA-N 1 0 388.331 2.529 20 0 GFADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CCCCc2sccc21 ZINC000684765559 565082758 /nfs/dbraw/zinc/08/27/58/565082758.db2.gz VIHXQMRPIPBECA-UHFFFAOYSA-N 1 0 382.555 2.655 20 0 GFADRO O[C@@H](C[NH2+][C@@H]1CCN(C2CCCC2)C1)COc1cccc(Br)c1 ZINC000584524802 565085578 /nfs/dbraw/zinc/08/55/78/565085578.db2.gz JJSUOUYUBFHHQR-WBVHZDCISA-N 1 0 383.330 2.795 20 0 GFADRO C[C@H](CNC(=O)N(C1CC1)[C@H]1CC[NH2+]C1)Oc1cccc(Br)c1 ZINC000584580001 565089415 /nfs/dbraw/zinc/08/94/15/565089415.db2.gz HMNRVPWWZSOHHG-DOMZBBRYSA-N 1 0 382.302 2.752 20 0 GFADRO O=C(N[C@H]1C[C@@H]([NH+]2CCCC2)C1)c1cc(=O)c2cc(Br)ccc2[nH]1 ZINC000636096956 565090088 /nfs/dbraw/zinc/09/00/88/565090088.db2.gz AZGHIICYSYVSGU-BETUJISGSA-N 1 0 390.281 2.647 20 0 GFADRO C[NH+](C)[C@H]1CCCN(C(=O)c2cc(Br)cc3[nH]c(=O)[nH]c32)CC1 ZINC000614010269 565090350 /nfs/dbraw/zinc/09/03/50/565090350.db2.gz CZBYDMRDILPERM-NSHDSACASA-N 1 0 381.274 2.587 20 0 GFADRO C[NH+]1CC2(C1)CCN(C(=O)c1c(F)c(F)c(Br)c(F)c1F)C2 ZINC000614033155 565091458 /nfs/dbraw/zinc/09/14/58/565091458.db2.gz FWNAVMDTDSYTRO-UHFFFAOYSA-N 1 0 381.167 2.783 20 0 GFADRO C[NH+]1CC2(C1)CCN(C(=O)c1cc(-c3ccc(Br)cc3)no1)C2 ZINC000614033674 565091842 /nfs/dbraw/zinc/09/18/42/565091842.db2.gz PIBUUOOOTLIQAO-UHFFFAOYSA-N 1 0 376.254 2.882 20 0 GFADRO CCOc1ncccc1C[NH2+]C[C@@H](O)COc1cccc(Br)c1 ZINC000584715054 565093332 /nfs/dbraw/zinc/09/33/32/565093332.db2.gz CULCKSQTAZVJAG-OAHLLOKOSA-N 1 0 381.270 2.772 20 0 GFADRO C[NH+](C)C[C@@]1(O)CCCN(C(=O)c2cnc(-c3cccc(Cl)c3)s2)C1 ZINC000614071212 565094133 /nfs/dbraw/zinc/09/41/33/565094133.db2.gz PFAWSAYIBYDMLI-SFHVURJKSA-N 1 0 379.913 2.992 20 0 GFADRO CCc1nnc(S[C@@H](C)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC000657272702 565094563 /nfs/dbraw/zinc/09/45/63/565094563.db2.gz MRXMTXNYDYBCGF-DZGCQCFKSA-N 1 0 376.551 2.972 20 0 GFADRO CC[NH+]1C[C@H](C)N(C(=O)CCNC(=O)c2ccc(Br)cc2)[C@@H](C)C1 ZINC000685074994 565095164 /nfs/dbraw/zinc/09/51/64/565095164.db2.gz AFGFOHZWBLRJBK-KBPBESRZSA-N 1 0 396.329 2.510 20 0 GFADRO O=C1NCCC[C@@H]1C[NH2+]C1CCN(Cc2ccccc2Br)CC1 ZINC000657282930 565095403 /nfs/dbraw/zinc/09/54/03/565095403.db2.gz KWKUDWLJNSJGNS-CQSZACIVSA-N 1 0 380.330 2.529 20 0 GFADRO CNC(=O)c1cccc(C[NH2+]C[C@@H](O)COc2cc(Cl)ccc2Cl)c1 ZINC000584776247 565097067 /nfs/dbraw/zinc/09/70/67/565097067.db2.gz OEFCKYWSVDYWPB-OAHLLOKOSA-N 1 0 383.275 2.883 20 0 GFADRO Cn1ncc(C2CC2)c1C[NH2+]CCCNC(=O)c1cccc(Br)c1 ZINC000657341507 565098182 /nfs/dbraw/zinc/09/81/82/565098182.db2.gz CJIWWVFALNNVRU-UHFFFAOYSA-N 1 0 391.313 2.970 20 0 GFADRO Cn1ncc(C2CC2)c1C[NH2+]CCNC(=O)c1cccc(Br)c1 ZINC000657360777 565099983 /nfs/dbraw/zinc/09/99/83/565099983.db2.gz SPVFWKNWZYHEAG-UHFFFAOYSA-N 1 0 377.286 2.580 20 0 GFADRO O=S(=O)(Cc1ccc(Cl)cc1)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000585226625 565103839 /nfs/dbraw/zinc/10/38/39/565103839.db2.gz GSXIPWAAOIMIDB-UHFFFAOYSA-N 1 0 386.945 2.650 20 0 GFADRO CC(C)C[C@H](CNC(=O)C(=O)Nc1cccc(Br)c1F)[NH+](C)C ZINC000657517270 565106004 /nfs/dbraw/zinc/10/60/04/565106004.db2.gz BSUPZZMMHDDKTF-LLVKDONJSA-N 1 0 388.281 2.619 20 0 GFADRO C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)Nc1cccc(Br)c1F ZINC000657522687 565106104 /nfs/dbraw/zinc/10/61/04/565106104.db2.gz AYGYEBPSXQWXEX-NSHDSACASA-N 1 0 386.265 2.517 20 0 GFADRO Cc1cc(Br)c(Cl)cc1NC(=O)C(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000657580645 565110145 /nfs/dbraw/zinc/11/01/45/565110145.db2.gz LBIMRQGVZUBKGK-SNVBAGLBSA-N 1 0 388.693 2.560 20 0 GFADRO COc1ccc(Sc2nsc(NC(=O)N[C@H]3CCC[N@H+](C)C3)n2)cc1 ZINC000685553200 565111676 /nfs/dbraw/zinc/11/16/76/565111676.db2.gz ANGFKQRUSSSUTG-NSHDSACASA-N 1 0 379.511 2.914 20 0 GFADRO O=C(Cc1ccc(Br)cc1F)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000614451305 565113523 /nfs/dbraw/zinc/11/35/23/565113523.db2.gz PFZSVCQIPPTSRD-INIZCTEOSA-N 1 0 399.304 2.844 20 0 GFADRO CCO[C@H]1C[C@@](CO)([NH2+]Cc2cn3ccc(Br)cc3n2)C1(C)C ZINC000685621445 565117456 /nfs/dbraw/zinc/11/74/56/565117456.db2.gz VBPHMIPIEGUNCP-YOEHRIQHSA-N 1 0 382.302 2.753 20 0 GFADRO O=C(NCC[N@H+]1CC[C@H](O)C1)N[C@H](c1ccsc1)c1ccc(Cl)cc1 ZINC000636638803 565118333 /nfs/dbraw/zinc/11/83/33/565118333.db2.gz DXYSAVAPWQXWNF-IRXDYDNUSA-N 1 0 379.913 2.857 20 0 GFADRO O[C@H]1C[C@H]([NH2+]Cc2ccc(Br)cc2N2CCOCC2)C12CCC2 ZINC000657706426 565122421 /nfs/dbraw/zinc/12/24/21/565122421.db2.gz PDMOZESSYARTBU-IRXDYDNUSA-N 1 0 381.314 2.679 20 0 GFADRO CSc1cc(Cl)ccc1NC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000657737212 565125159 /nfs/dbraw/zinc/12/51/59/565125159.db2.gz JFGUPZZRKAZIBI-SWLSCSKDSA-N 1 0 381.929 2.943 20 0 GFADRO CC(C)CN(CC[NH+](C)C)C(=O)C(=O)Nc1cccc(Br)c1F ZINC000657806870 565131208 /nfs/dbraw/zinc/13/12/08/565131208.db2.gz WQXVTZALQCYIDZ-UHFFFAOYSA-N 1 0 388.281 2.573 20 0 GFADRO Cc1cc(Br)c(Cl)cc1NC(=O)C(=O)NCC[NH2+]C(C)(C)C ZINC000657835766 565132608 /nfs/dbraw/zinc/13/26/08/565132608.db2.gz HQIYIRJCKRNCPT-UHFFFAOYSA-N 1 0 390.709 2.854 20 0 GFADRO CC(C)[C@H]([NH2+]CC(=O)N1CCN(C)CC1)c1cc(F)cc(Br)c1 ZINC000657856123 565133405 /nfs/dbraw/zinc/13/34/05/565133405.db2.gz LJOLWAVSIRMVGX-KRWDZBQOSA-N 1 0 386.309 2.649 20 0 GFADRO CC[C@@H](Cc1ccc(Br)cc1)[NH2+]CCS(=O)(=O)NC(C)C ZINC000657911890 565135637 /nfs/dbraw/zinc/13/56/37/565135637.db2.gz QHXISILOBBQZRO-HNNXBMFYSA-N 1 0 377.348 2.688 20 0 GFADRO CN(C)CC[N@H+](C)CCCNC(=O)c1cc2cc(Br)sc2[nH]1 ZINC000614938165 565139198 /nfs/dbraw/zinc/13/91/98/565139198.db2.gz WJUWNEJATJROBY-UHFFFAOYSA-N 1 0 387.347 2.605 20 0 GFADRO CN(CC(C)(C)[NH3+])S(=O)(=O)c1cc(C(F)(F)F)ccc1Br ZINC000658389165 565166813 /nfs/dbraw/zinc/16/68/13/565166813.db2.gz IRMXABCTXFPQFJ-UHFFFAOYSA-N 1 0 389.237 2.826 20 0 GFADRO C[C@@H](NC(=O)NCc1c(Br)cnn1C)[C@@H](c1ccccc1)[NH+](C)C ZINC000637137715 565141133 /nfs/dbraw/zinc/14/11/33/565141133.db2.gz SKTSSFOGTKBZPW-WBMJQRKESA-N 1 0 394.317 2.673 20 0 GFADRO C[NH+](C)C[C@@H](NC(=O)NCc1ccc(=O)[nH]n1)c1ccc(Cl)c(Cl)c1 ZINC000637178429 565142986 /nfs/dbraw/zinc/14/29/86/565142986.db2.gz KCOWYMNAAABWRH-CQSZACIVSA-N 1 0 384.267 2.591 20 0 GFADRO CSc1ccc(S(=O)(=O)N2CCC(CC[NH+]3CCOCC3)CC2)cc1 ZINC000588905995 565143961 /nfs/dbraw/zinc/14/39/61/565143961.db2.gz HYBOUMNIIXNZSL-UHFFFAOYSA-N 1 0 384.567 2.532 20 0 GFADRO C[C@@H](Cc1ccccc1F)[NH2+]CCNC(=O)c1ccc(Br)cn1 ZINC000658091513 565149201 /nfs/dbraw/zinc/14/92/01/565149201.db2.gz FQKSZXBBSHWTHU-LBPRGKRZSA-N 1 0 380.261 2.934 20 0 GFADRO C[N@@H+]1C[C@@H]2CCN(C(=O)c3cc(Br)cc(N4CCCC4)c3)[C@@H]2C1 ZINC000615181593 565149335 /nfs/dbraw/zinc/14/93/35/565149335.db2.gz BRQWJLFDLTWIPQ-SUMWQHHRSA-N 1 0 378.314 2.825 20 0 GFADRO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)c2c(F)c(F)c(Br)c(F)c2F)C1 ZINC000615187887 565151050 /nfs/dbraw/zinc/15/10/50/565151050.db2.gz RIERKCHGCXIDEJ-BQBZGAKWSA-N 1 0 381.167 2.782 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)c(Br)c1 ZINC000658124399 565151430 /nfs/dbraw/zinc/15/14/30/565151430.db2.gz AKXCMKFPTNQVDR-ZDUSSCGKSA-N 1 0 396.329 2.993 20 0 GFADRO OCCO[C@@]1(C[NH2+][C@@H](c2ccco2)c2ccc(Br)cc2)CCOC1 ZINC000658143916 565153280 /nfs/dbraw/zinc/15/32/80/565153280.db2.gz JOMOAVPHDVKSRY-QZTJIDSGSA-N 1 0 396.281 2.889 20 0 GFADRO C[N@@H+]1CCC[C@@H]1[C@H]1COCCN1C(=O)[C@H]1CCc2cc(Br)ccc21 ZINC000615276557 565155246 /nfs/dbraw/zinc/15/52/46/565155246.db2.gz SBINBBZQALVXGS-RCCFBDPRSA-N 1 0 393.325 2.801 20 0 GFADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@H]1CCC[C@@H]1Cc1cnn(C)c1 ZINC000658233365 565156151 /nfs/dbraw/zinc/15/61/51/565156151.db2.gz KMMUMSFIIGLGKZ-UNEWFSDZSA-N 1 0 393.329 2.734 20 0 GFADRO C[N@@H+]1CCC[C@H]1[C@H]1COCCN1C(=O)[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000615277727 565156614 /nfs/dbraw/zinc/15/66/14/565156614.db2.gz XUKPQDNRALFLJM-XWTMOSNGSA-N 1 0 393.325 2.874 20 0 GFADRO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)[C@@H]1CCN(c2cc(Cl)ccc2Cl)C1=O ZINC000615310259 565157830 /nfs/dbraw/zinc/15/78/30/565157830.db2.gz VRXYQPUTBTUYJL-OSAQELSMSA-N 1 0 384.307 2.897 20 0 GFADRO Cc1ccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)c(Br)c1 ZINC000658262326 565158042 /nfs/dbraw/zinc/15/80/42/565158042.db2.gz SGKDEURAEVPROU-GFCCVEGCSA-N 1 0 382.302 2.685 20 0 GFADRO C[C@@H]1CC(=O)NCCN1C(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000637471990 565159109 /nfs/dbraw/zinc/15/91/09/565159109.db2.gz CRVVLIJMVAYQKO-ABAIWWIYSA-N 1 0 387.311 2.516 20 0 GFADRO O=C(NCc1csc(C(F)(F)F)c1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000637524513 565160143 /nfs/dbraw/zinc/16/01/43/565160143.db2.gz PUILQSFGYQRXPY-GFCCVEGCSA-N 1 0 377.432 2.631 20 0 GFADRO C[C@H]([NH2+]C[C@H]1CCOC1(C)C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000658331426 565160238 /nfs/dbraw/zinc/16/02/38/565160238.db2.gz OGQTXMCWFJWMSM-CMPLNLGQSA-N 1 0 391.331 2.562 20 0 GFADRO C[NH2+]CCCNS(=O)(=O)c1cc(Cl)c(Cl)cc1Br ZINC000658364020 565161732 /nfs/dbraw/zinc/16/17/32/565161732.db2.gz ZBYHSADMOBLXRW-UHFFFAOYSA-N 1 0 376.103 2.644 20 0 GFADRO O=S(=O)(Cc1cc(F)ccc1Br)N(C1CC1)C1CC[NH2+]CC1 ZINC000658362980 565161962 /nfs/dbraw/zinc/16/19/62/565161962.db2.gz KCOWXJJJIGKQFC-UHFFFAOYSA-N 1 0 391.306 2.634 20 0 GFADRO [NH3+]C[C@@H]1CCCC[C@@H]1NS(=O)(=O)Cc1cc(F)ccc1Br ZINC000658370354 565162510 /nfs/dbraw/zinc/16/25/10/565162510.db2.gz RTNXQCRPYLUSOR-HZMBPMFUSA-N 1 0 379.295 2.525 20 0 GFADRO [NH3+]C[C@@H](NS(=O)(=O)Cc1ccc(OC(F)(F)F)cc1)C1CCCCC1 ZINC000658368419 565162559 /nfs/dbraw/zinc/16/25/59/565162559.db2.gz XHZOIQHARUUWLA-OAHLLOKOSA-N 1 0 380.432 2.912 20 0 GFADRO CSC1(CNC(=O)C(=O)Nc2c(C)cc(C)cc2Cl)CC[NH+](C)CC1 ZINC000589437194 565163372 /nfs/dbraw/zinc/16/33/72/565163372.db2.gz VXZBEUJRZFKFTC-UHFFFAOYSA-N 1 0 383.945 2.839 20 0 GFADRO CCCOc1ccc(Br)cc1S(=O)(=O)N1C[C@H](C[NH3+])C[C@H]1C ZINC000658374332 565163967 /nfs/dbraw/zinc/16/39/67/565163967.db2.gz NHZBYNUGGRWHPQ-NEPJUHHUSA-N 1 0 391.331 2.596 20 0 GFADRO CCCOc1ccc(Br)cc1S(=O)(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000658379808 565164557 /nfs/dbraw/zinc/16/45/57/565164557.db2.gz WCIJLQXVMXPQOZ-HNNXBMFYSA-N 1 0 391.331 2.597 20 0 GFADRO O=S(=O)(c1ccc(C(F)(F)F)nc1)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000658385954 565165939 /nfs/dbraw/zinc/16/59/39/565165939.db2.gz XAANXLOCEIBNFJ-ZDUSSCGKSA-N 1 0 377.432 2.501 20 0 GFADRO [NH3+]CC12CC(C1)CN2S(=O)(=O)c1ccc2cc(Br)ccc2c1 ZINC000658394118 565167088 /nfs/dbraw/zinc/16/70/88/565167088.db2.gz HJXMCYYQYNQCMI-UHFFFAOYSA-N 1 0 381.295 2.714 20 0 GFADRO COCCCOc1ccc(Cl)cc1S(=O)(=O)N1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000658399224 565167814 /nfs/dbraw/zinc/16/78/14/565167814.db2.gz OGCMFJQWRWUKQC-HIFRSBDPSA-N 1 0 390.933 2.503 20 0 GFADRO Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)N1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000615604107 565167911 /nfs/dbraw/zinc/16/79/11/565167911.db2.gz PVNGEQKDZYPPEC-OAHLLOKOSA-N 1 0 378.826 2.808 20 0 GFADRO Cc1cc(F)c(Br)cc1S(=O)(=O)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000658401899 565168045 /nfs/dbraw/zinc/16/80/45/565168045.db2.gz IGGFULJGELSCDD-NSHDSACASA-N 1 0 391.306 2.850 20 0 GFADRO CCCOc1ccc(Br)cc1S(=O)(=O)NCC[C@@H]([NH3+])C(C)C ZINC000658407476 565168278 /nfs/dbraw/zinc/16/82/78/565168278.db2.gz RWPJSIWRPIEDSU-CYBMUJFWSA-N 1 0 393.347 2.890 20 0 GFADRO CC(C)[C@H]([NH3+])CCNS(=O)(=O)c1ccc2c(Br)cn(C)c2c1 ZINC000658407495 565168373 /nfs/dbraw/zinc/16/83/73/565168373.db2.gz SRLODZUKLMIFRS-CQSZACIVSA-N 1 0 388.331 2.593 20 0 GFADRO CC[N@H+](CCO)CCNC(=O)N[C@H](C)c1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC000637672957 565168790 /nfs/dbraw/zinc/16/87/90/565168790.db2.gz XNZIZEMHHCVSCG-SNVBAGLBSA-N 1 0 388.299 2.544 20 0 GFADRO C[C@@H](CCNC(=O)C(=O)Nc1cccnc1-c1ccc(Cl)s1)[NH+](C)C ZINC000658426265 565169027 /nfs/dbraw/zinc/16/90/27/565169027.db2.gz JGGNMEXXDQAPDF-NSHDSACASA-N 1 0 380.901 2.858 20 0 GFADRO C[C@H](CCNC(=O)C(=O)Nc1cc(F)c(Br)c(Cl)c1)[NH+](C)C ZINC000658424880 565169304 /nfs/dbraw/zinc/16/93/04/565169304.db2.gz BNXFISPDFUHUCX-MRVPVSSYSA-N 1 0 394.672 2.637 20 0 GFADRO O=C(Nc1ccc(N2CC[NH2+]CC2)cn1)c1ccc(Br)c(F)c1F ZINC000637825276 565174313 /nfs/dbraw/zinc/17/43/13/565174313.db2.gz UCPKSBURMJMQMH-UHFFFAOYSA-N 1 0 397.223 2.784 20 0 GFADRO COc1ccc(OCC[N@H+](C)Cc2ccc(S(N)(=O)=O)c(Cl)c2)cc1 ZINC000637868293 565174322 /nfs/dbraw/zinc/17/43/22/565174322.db2.gz FLJCKSJZLCOAHB-UHFFFAOYSA-N 1 0 384.885 2.507 20 0 GFADRO CC(C)N(C)C(=O)C1CC[NH+](Cc2cnn3cc(Br)cnc23)CC1 ZINC000637945441 565177368 /nfs/dbraw/zinc/17/73/68/565177368.db2.gz DXIOEROCYCIHQJ-UHFFFAOYSA-N 1 0 394.317 2.571 20 0 GFADRO [NH3+][C@@H]1CC=C(C(=O)N2CCC(C(=O)Nc3cccc(Br)c3)CC2)C1 ZINC000637969922 565178284 /nfs/dbraw/zinc/17/82/84/565178284.db2.gz NSXYIBYAFIKNQR-OAHLLOKOSA-N 1 0 392.297 2.674 20 0 GFADRO Cc1cc(C[NH3+])oc1C(=O)NCc1cc(Br)c2c(c1)OCCO2 ZINC000637959954 565179065 /nfs/dbraw/zinc/17/90/65/565179065.db2.gz LKXROSDXTMPHQM-UHFFFAOYSA-N 1 0 381.226 2.510 20 0 GFADRO C[C@H]([NH2+]CC(=O)NCC(=O)OC(C)(C)C)c1ccc(F)c(Br)c1 ZINC000590193860 565179973 /nfs/dbraw/zinc/17/99/73/565179973.db2.gz VSJCTXFUACEYLI-JTQLQIEISA-N 1 0 389.265 2.697 20 0 GFADRO OCC[N@H+](Cc1cnn2cc(Br)cnc12)[C@H]1CCc2ccccc21 ZINC000638079465 565183557 /nfs/dbraw/zinc/18/35/57/565183557.db2.gz FLOBUQZAEHSFQS-KRWDZBQOSA-N 1 0 387.281 2.974 20 0 GFADRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)CCc2ccc(Cl)c(Cl)c2)C1 ZINC000590316535 565184724 /nfs/dbraw/zinc/18/47/24/565184724.db2.gz ZXSMLFVZGDDMOF-AWEZNQCLSA-N 1 0 386.323 2.630 20 0 GFADRO CN(Cc1cnn2cc(Br)cnc12)[C@@H]1CCCc2c1cnn2C ZINC000638152582 565185791 /nfs/dbraw/zinc/18/57/91/565185791.db2.gz MKUBTEBTMYKTKL-CQSZACIVSA-N 1 0 375.274 2.735 20 0 GFADRO C[C@H](C(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1)n1cccn1 ZINC000590472537 565189261 /nfs/dbraw/zinc/18/92/61/565189261.db2.gz ZBJQTMWVSXMYAU-CQSZACIVSA-N 1 0 379.302 2.797 20 0 GFADRO CO[C@H]1C[NH2+][C@](C)(C(=O)N2CCc3sc(-c4csc(C)n4)cc3C2)C1 ZINC000638308991 565191097 /nfs/dbraw/zinc/19/10/97/565191097.db2.gz BJDCHESEZRKDBW-ACJLOTCBSA-N 1 0 377.535 2.832 20 0 GFADRO CO[C@@H]1C[NH2+][C@](C)(C(=O)N2CCC(Oc3cccc(Br)c3)CC2)C1 ZINC000638300533 565191503 /nfs/dbraw/zinc/19/15/03/565191503.db2.gz HCLXOILLPAFADC-WMZOPIPTSA-N 1 0 397.313 2.586 20 0 GFADRO [NH3+]CCC[C@H](NC(=O)COc1ccc(Br)cn1)c1ccccc1 ZINC000638330930 565192454 /nfs/dbraw/zinc/19/24/54/565192454.db2.gz YDEYGYBLKMGBPE-HNNXBMFYSA-N 1 0 378.270 2.819 20 0 GFADRO C[N@@H+]1CCC[C@@H](CCNC(=O)[C@@H]2CCO[C@H]2c2cncc(Br)c2)C1 ZINC000616233934 565194948 /nfs/dbraw/zinc/19/49/48/565194948.db2.gz JREPRZHKGSOUTI-XKQJLSEDSA-N 1 0 396.329 2.770 20 0 GFADRO [NH3+]CCCCn1cc(C(=O)NCC/C=C\c2ccc(Br)cc2)nn1 ZINC000638462195 565196479 /nfs/dbraw/zinc/19/64/79/565196479.db2.gz KBRQLLPXPLNRMM-KTAJNNJTSA-N 1 0 392.301 2.613 20 0 GFADRO C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)CCO1 ZINC000658997021 565198238 /nfs/dbraw/zinc/19/82/38/565198238.db2.gz DSIFKTRZTBYLBZ-OAHLLOKOSA-N 1 0 388.295 2.501 20 0 GFADRO C[NH2+]C[C@@H](C)NC(=O)Nc1c(C)c(C)nn1-c1ccc(Br)cc1 ZINC000659007072 565198255 /nfs/dbraw/zinc/19/82/55/565198255.db2.gz YFNLDLKOMTWWLC-SNVBAGLBSA-N 1 0 380.290 2.981 20 0 GFADRO O=C(Nc1cccc(Oc2ncc(Br)cn2)c1)N[C@H]1CC[NH2+]C1 ZINC000659005183 565198490 /nfs/dbraw/zinc/19/84/90/565198490.db2.gz UIKXJTCUDMTOQE-LBPRGKRZSA-N 1 0 378.230 2.515 20 0 GFADRO CCOCCOc1ccc(Br)cc1NC(=O)N1CC2CC1(C[NH3+])C2 ZINC000659008056 565198550 /nfs/dbraw/zinc/19/85/50/565198550.db2.gz XAWVUAWFWQVFDV-UHFFFAOYSA-N 1 0 398.301 2.819 20 0 GFADRO Cc1cc(Br)c(Cl)cc1NC(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000659028019 565199074 /nfs/dbraw/zinc/19/90/74/565199074.db2.gz LUCCXSIQIKYBKV-SNVBAGLBSA-N 1 0 375.698 2.518 20 0 GFADRO O=C(N[C@H]1CC[NH2+]C12CCC2)c1cnn(-c2ccc(Br)cc2)c1 ZINC000638506002 565199422 /nfs/dbraw/zinc/19/94/22/565199422.db2.gz YZECIMICGXRSRO-HNNXBMFYSA-N 1 0 375.270 2.649 20 0 GFADRO COCC1(C(=O)N[C@H](C)c2cc(F)c(Br)cc2F)CC[NH2+]CC1 ZINC000638494428 565199558 /nfs/dbraw/zinc/19/95/58/565199558.db2.gz DYYZEBLFLOEUQO-SNVBAGLBSA-N 1 0 391.256 2.921 20 0 GFADRO Cc1cc(Br)c(Cl)cc1NC(=O)C(=O)N1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000659081249 565200406 /nfs/dbraw/zinc/20/04/06/565200406.db2.gz DYXLAUHOYICJLB-ZJUUUORDSA-N 1 0 388.693 2.545 20 0 GFADRO CC(C)[NH2+]CCCNC(=O)C(=O)N1CC(C)(C)c2ccc(Br)cc21 ZINC000659076668 565200614 /nfs/dbraw/zinc/20/06/14/565200614.db2.gz CMCRYOGNJJAOAC-UHFFFAOYSA-N 1 0 396.329 2.578 20 0 GFADRO CSc1cc(Cl)ccc1NC(=O)C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000659082571 565200649 /nfs/dbraw/zinc/20/06/49/565200649.db2.gz YORFEJLMBQEYIN-CQSZACIVSA-N 1 0 381.929 2.991 20 0 GFADRO CN1CC[C@@H]([NH2+]CCCS(C)(=O)=O)C[C@@H]1c1ccc(Br)cc1 ZINC000638546589 565201586 /nfs/dbraw/zinc/20/15/86/565201586.db2.gz BYWXPAVGRBLSIT-HZPDHXFCSA-N 1 0 389.359 2.609 20 0 GFADRO [NH3+][C@@H]1CCO[C@@H]1C(=O)N[C@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC000638595633 565204467 /nfs/dbraw/zinc/20/44/67/565204467.db2.gz JVMYYDUQVRZDCL-INWMFGNUSA-N 1 0 378.270 2.540 20 0 GFADRO Cc1cc(F)ccc1N1CCC[C@@H]([NH2+]Cc2ccc(S(N)(=O)=O)s2)C1 ZINC000638617039 565206088 /nfs/dbraw/zinc/20/60/88/565206088.db2.gz RVUUIXSJRITBFK-CQSZACIVSA-N 1 0 383.514 2.602 20 0 GFADRO COC(=O)c1cc(NC(=O)NC(C)(C)C[NH+](C)C)c(Br)cc1F ZINC000590817795 565206651 /nfs/dbraw/zinc/20/66/51/565206651.db2.gz QXRYGBKONUDKAY-UHFFFAOYSA-N 1 0 390.253 2.837 20 0 GFADRO O=C(N[C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1cc(Br)cc2[nH]c(=O)[nH]c21 ZINC000616715846 565207070 /nfs/dbraw/zinc/20/70/70/565207070.db2.gz SAJGEYOLLMHUDS-JSGCOSHPSA-N 1 0 393.285 2.778 20 0 GFADRO C[N@@H+]1CCC[C@H](CNCc2ccc(S(N)(=O)=O)s2)[C@@H]1c1cccs1 ZINC000638671125 565207266 /nfs/dbraw/zinc/20/72/66/565207266.db2.gz MBSRHLXJWVQLBY-MLGOLLRUSA-N 1 0 385.580 2.630 20 0 GFADRO O=C(NCCSc1ccc(Cl)cc1)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000590846876 565207383 /nfs/dbraw/zinc/20/73/83/565207383.db2.gz RZNREDOUGXQQPA-IAGOWNOFSA-N 1 0 383.945 2.673 20 0 GFADRO O=C(NCCSc1ccc(Cl)cc1)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000590846875 565207611 /nfs/dbraw/zinc/20/76/11/565207611.db2.gz RZNREDOUGXQQPA-DLBZAZTESA-N 1 0 383.945 2.673 20 0 GFADRO COC(=O)CC[N@H+](CCn1ccccc1=O)Cc1cccc(Br)c1 ZINC000616794167 565209387 /nfs/dbraw/zinc/20/93/87/565209387.db2.gz UTFZWDZXGXTDMN-UHFFFAOYSA-N 1 0 393.281 2.676 20 0 GFADRO CN[C@H](C(=O)N1CC[NH+](C2CCOCC2)CC1)c1cccc(Cl)c1Cl ZINC000659285716 565210287 /nfs/dbraw/zinc/21/02/87/565210287.db2.gz RPSWSFZLJSNNDW-KRWDZBQOSA-N 1 0 386.323 2.577 20 0 GFADRO O=C(c1ccc(Br)c(F)c1)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000638779884 565210909 /nfs/dbraw/zinc/21/09/09/565210909.db2.gz WORLBQQJAOGIAL-CQSZACIVSA-N 1 0 385.277 2.819 20 0 GFADRO COc1nsc(C[NH2+][C@H]2CCOC3(CCOCC3)C2)c1Br ZINC000638781470 565211421 /nfs/dbraw/zinc/21/14/21/565211421.db2.gz USDODRZLFWZQQA-JTQLQIEISA-N 1 0 377.304 2.732 20 0 GFADRO O=C(Cc1ccc(F)c(Br)c1)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000638782617 565211511 /nfs/dbraw/zinc/21/15/11/565211511.db2.gz WXOSGDFVDBISCD-HNNXBMFYSA-N 1 0 399.304 2.748 20 0 GFADRO Cc1cc(Br)c2c(c1)CCN(C(=O)c1cc([C@@H]3CC[NH2+]C3)n[nH]1)C2 ZINC000638824006 565212927 /nfs/dbraw/zinc/21/29/27/565212927.db2.gz CLPXGJZZATVNKM-CYBMUJFWSA-N 1 0 389.297 2.756 20 0 GFADRO O=C(c1ccc(COc2cccc(Br)c2)o1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638912598 565217929 /nfs/dbraw/zinc/21/79/29/565217929.db2.gz UGJQCYSPFBVUSH-STQMWFEESA-N 1 0 377.238 2.807 20 0 GFADRO COc1cc(CNC(=O)NCC[C@@H]([NH3+])C(C)C)cc(Br)c1OC ZINC000659447055 565218059 /nfs/dbraw/zinc/21/80/59/565218059.db2.gz MCYWWPJZEMPKEI-CYBMUJFWSA-N 1 0 388.306 2.639 20 0 GFADRO [NH3+]C[C@H]1CC[C@H](NC(=O)C2CCN(C(=O)c3ccc(Cl)s3)CC2)CC1 ZINC000638946910 565218874 /nfs/dbraw/zinc/21/88/74/565218874.db2.gz FMSRKUIIGKJYOF-MQMHXKEQSA-N 1 0 383.945 2.887 20 0 GFADRO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000638940548 565218948 /nfs/dbraw/zinc/21/89/48/565218948.db2.gz SHYLTXQJPIVQFO-KWCYVHTRSA-N 1 0 384.307 2.794 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)N2CCOC[C@H]2c2ccc(Br)cc2)CC[NH2+]1 ZINC000659544701 565219882 /nfs/dbraw/zinc/21/98/82/565219882.db2.gz XIQWJGFPMUHAQU-KCXAZCMYSA-N 1 0 382.302 2.673 20 0 GFADRO O=C(NC[C@@H]1C[NH2+]CCCO1)NC(CCC(F)(F)F)CCC(F)(F)F ZINC000659550140 565220478 /nfs/dbraw/zinc/22/04/78/565220478.db2.gz PASLBIKPECAFAL-NSHDSACASA-N 1 0 379.345 2.718 20 0 GFADRO [NH3+][C@@H]1CCC[C@H](NC(=O)N2CCOC[C@H]2c2ccc(Br)cc2)C1 ZINC000659537493 565220516 /nfs/dbraw/zinc/22/05/16/565220516.db2.gz LOTSVSBHARWEIF-PMPSAXMXSA-N 1 0 382.302 2.802 20 0 GFADRO O=C(c1ccc2cncc(Br)c2n1)N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000639024407 565220847 /nfs/dbraw/zinc/22/08/47/565220847.db2.gz VPUGKSHQHPPNQS-ABAIWWIYSA-N 1 0 375.270 2.606 20 0 GFADRO C[C@H]([NH3+])[C@H]1CN(C(=O)N[C@H]2CCCCc3cc(Br)ccc32)CCO1 ZINC000659628514 565221062 /nfs/dbraw/zinc/22/10/62/565221062.db2.gz QLMLAWSEXGUKIE-AFAVFJNCSA-N 1 0 396.329 2.974 20 0 GFADRO C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000659632883 565221611 /nfs/dbraw/zinc/22/16/11/565221611.db2.gz JYQHUVLGTUZSCF-SECBINFHSA-N 1 0 384.267 2.850 20 0 GFADRO CN1CC[C@H]([NH2+]CCCn2ccnn2)C[C@@H]1c1ccc(Br)cc1 ZINC000639039798 565221723 /nfs/dbraw/zinc/22/17/23/565221723.db2.gz WRJNSCQWQVGQHJ-DLBZAZTESA-N 1 0 378.318 2.856 20 0 GFADRO CC[C@H]1CN(C(=O)Nc2ccc(Br)c(C(=O)OC)c2)CC[C@@H]1[NH3+] ZINC000591295368 565223013 /nfs/dbraw/zinc/22/30/13/565223013.db2.gz OPNGWGQVLDWLIP-HZMBPMFUSA-N 1 0 384.274 2.827 20 0 GFADRO COC(=O)c1cc(F)c(Br)cc1NC(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000591303733 565223031 /nfs/dbraw/zinc/22/30/31/565223031.db2.gz KWKQUPDJMRCKPY-VIFPVBQESA-N 1 0 388.237 2.577 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+][C@H]2CCN(c3ccc(Cl)cc3Cl)C2)o1 ZINC000639096974 565224278 /nfs/dbraw/zinc/22/42/78/565224278.db2.gz HKIGJEBAPPIGNJ-NSHDSACASA-N 1 0 390.292 2.602 20 0 GFADRO CO[C@@H](C[NH2+]C[C@@H](CO)Cc1cccc(Br)c1)C1CCOCC1 ZINC000639105826 565226540 /nfs/dbraw/zinc/22/65/40/565226540.db2.gz RUTZJOBNJFOSPP-YJBOKZPZSA-N 1 0 386.330 2.631 20 0 GFADRO O=c1ccc(Br)cn1CC[NH2+]C[C@@H]1CCN(c2ccccc2)C1 ZINC000639217488 565233836 /nfs/dbraw/zinc/23/38/36/565233836.db2.gz UIQIJVFNISXBEO-HNNXBMFYSA-N 1 0 376.298 2.727 20 0 GFADRO Cn1cc(CCC[NH2+]C[C@@H](CO)Cc2ccc(F)c(Br)c2)cn1 ZINC000639238243 565235324 /nfs/dbraw/zinc/23/53/24/565235324.db2.gz RFZHCRKRBPRSRQ-HNNXBMFYSA-N 1 0 384.293 2.695 20 0 GFADRO CN1CC[C@H]([NH2+]C[C@H]2CCCNC2=O)C[C@@H]1c1ccc(Br)cc1 ZINC000639260444 565235662 /nfs/dbraw/zinc/23/56/62/565235662.db2.gz UTKKVQFBXXAECD-HYVNUMGLSA-N 1 0 380.330 2.700 20 0 GFADRO Cc1csc(C(=O)N2CCC[C@H](C)[C@H]2C[NH3+])c1I ZINC000591676389 565236735 /nfs/dbraw/zinc/23/67/35/565236735.db2.gz PDLLRJLMSUOROR-WCBMZHEXSA-N 1 0 378.279 2.861 20 0 GFADRO Cc1c(C(=O)N[C@H]2CCC[N@@H+](C)C2)cnn1-c1ccc(Br)cc1 ZINC000617414706 565236875 /nfs/dbraw/zinc/23/68/75/565236875.db2.gz OWTFNKBMIQHYHV-AWEZNQCLSA-N 1 0 377.286 2.767 20 0 GFADRO C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCCN2C(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000617414634 565236956 /nfs/dbraw/zinc/23/69/56/565236956.db2.gz NIICCXIBKHJPLG-CZUORRHYSA-N 1 0 384.307 2.808 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+][C@H](c2ccccc2)C2(CO)CC=CC2)s1 ZINC000639285659 565238191 /nfs/dbraw/zinc/23/81/91/565238191.db2.gz IEIOVDWNJLCZCJ-QGZVFWFLSA-N 1 0 378.519 2.555 20 0 GFADRO COc1cc(NC(=O)CC[NH2+]CC2([S@@](C)=O)CCC2)c(OC)cc1Cl ZINC000591765657 565238654 /nfs/dbraw/zinc/23/86/54/565238654.db2.gz RAEDVUIXJQHDDD-RUZDIDTESA-N 1 0 388.917 2.577 20 0 GFADRO FC(F)(F)[C@@H](C[NH2+]Cc1cnn2cc(Br)cnc12)n1cccn1 ZINC000639345972 565240454 /nfs/dbraw/zinc/24/04/54/565240454.db2.gz NCJZOHIQGKIIJS-LLVKDONJSA-N 1 0 389.179 2.582 20 0 GFADRO CCC[N@@H+]1CC[C@@H](NS(=O)(=O)c2cccc(Br)c2Cl)C1 ZINC000660028246 565240562 /nfs/dbraw/zinc/24/05/62/565240562.db2.gz UFWVOIQVLQFHCL-SNVBAGLBSA-N 1 0 381.723 2.865 20 0 GFADRO CC(=O)N1CC[C@@H]([NH2+][C@@H]2CCN(C)[C@H](c3ccc(Br)cc3)C2)C1 ZINC000639341817 565240733 /nfs/dbraw/zinc/24/07/33/565240733.db2.gz VIDTVRWRDHQNSC-KURKYZTESA-N 1 0 380.330 2.795 20 0 GFADRO CCC[N@@H+]1CC[C@@H](NS(=O)(=O)c2cc(Br)ccc2OCC)C1 ZINC000660026326 565241009 /nfs/dbraw/zinc/24/10/09/565241009.db2.gz FLLMGGANNHGSBJ-CYBMUJFWSA-N 1 0 391.331 2.610 20 0 GFADRO Cc1cc(Br)c(C(=O)N[C@@H](C)CN(C)CCC[NH+](C)C)s1 ZINC000617502467 565242768 /nfs/dbraw/zinc/24/27/68/565242768.db2.gz QCPMAGVLCPOQTC-NSHDSACASA-N 1 0 376.364 2.821 20 0 GFADRO C[C@@H]1OCC[C@H]1C[NH+]1CCC(C(=O)Nc2ccc(Br)cn2)CC1 ZINC000639523055 565249245 /nfs/dbraw/zinc/24/92/45/565249245.db2.gz TZDHOLCGBPTLCM-JSGCOSHPSA-N 1 0 382.302 2.920 20 0 GFADRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C[C@H](O)COc1cc(Cl)cc(Cl)c1 ZINC000639601322 565250823 /nfs/dbraw/zinc/25/08/23/565250823.db2.gz OGXPPHGBLJPDNR-CJNGLKHVSA-N 1 0 391.339 2.510 20 0 GFADRO CCCc1ccc(Cl)c(S(=O)(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)c1 ZINC000660090547 565250935 /nfs/dbraw/zinc/25/09/35/565250935.db2.gz JVDANBUVJCRESS-INIZCTEOSA-N 1 0 386.945 2.512 20 0 GFADRO O=C(NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1cc(Br)co1 ZINC000617696022 565251513 /nfs/dbraw/zinc/25/15/13/565251513.db2.gz AMDOIMVPBMDXFQ-HNNXBMFYSA-N 1 0 379.254 2.539 20 0 GFADRO CC[N@@H+]1CC[C@H]2OCCN(C[C@H](O)COc3cc(Cl)cc(Cl)c3)[C@H]2C1 ZINC000639657468 565253799 /nfs/dbraw/zinc/25/37/99/565253799.db2.gz ZKKHRLXQVJHIEH-RYQLBKOJSA-N 1 0 389.323 2.528 20 0 GFADRO O=C(C[N@@H+]1CC[C@@H]([C@H]2CCOC2)C1)c1c[nH]c2ncc(Br)cc12 ZINC000660119687 565254978 /nfs/dbraw/zinc/25/49/78/565254978.db2.gz USPXPCMJVAEDDP-NEPJUHHUSA-N 1 0 378.270 2.867 20 0 GFADRO CN(CCC[NH+](C)C)CCNC(=O)c1cc(F)c(Br)c(Cl)c1 ZINC000617763948 565256355 /nfs/dbraw/zinc/25/63/55/565256355.db2.gz CMCFBGLPHXNMRV-UHFFFAOYSA-N 1 0 394.716 2.855 20 0 GFADRO O[C@@H](C[NH2+]C1(c2ccccc2Br)CCC1)CC1(O)CCOCC1 ZINC000639717591 565257064 /nfs/dbraw/zinc/25/70/64/565257064.db2.gz MZVZHSSSUPBDGI-CQSZACIVSA-N 1 0 384.314 2.710 20 0 GFADRO C[C@@H](CCNC(=O)[C@@H](c1ccc(Cl)cc1Cl)N1CCOCC1)[NH+](C)C ZINC000617753394 565257121 /nfs/dbraw/zinc/25/71/21/565257121.db2.gz BKANYBNWSNJAJY-SUMWQHHRSA-N 1 0 388.339 2.823 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)NCC[C@@H](C)[NH+](C)C ZINC000617752329 565257462 /nfs/dbraw/zinc/25/74/62/565257462.db2.gz MIJLXDNYQOBAPK-CABCVRRESA-N 1 0 386.583 2.807 20 0 GFADRO FC(F)(F)c1cccnc1C[N@H+](CCN1CCOCC1)[C@H]1CCSC1 ZINC000639770930 565258574 /nfs/dbraw/zinc/25/85/74/565258574.db2.gz SGNJFKIRRODWRL-AWEZNQCLSA-N 1 0 375.460 2.740 20 0 GFADRO CCO[C@@H]1C[C@@H]([NH2+]CC(=O)Nc2nnc(-c3sccc3C)o2)[C@@H]1SC ZINC000592173416 565261557 /nfs/dbraw/zinc/26/15/57/565261557.db2.gz SVUGWMAGWXJXJZ-GYSYKLTISA-N 1 0 382.511 2.544 20 0 GFADRO CC(C)[C@H]1CN(S(=O)(=O)c2cc(Br)cc3cccnc32)CC[NH2+]1 ZINC000660183262 565265133 /nfs/dbraw/zinc/26/51/33/565265133.db2.gz DHRJTVNPFYJGIX-CQSZACIVSA-N 1 0 398.326 2.616 20 0 GFADRO COC(=O)C1(CNC(=O)[C@@](C)([NH3+])c2ccc(Br)cc2)CCCCC1 ZINC000592277322 565266223 /nfs/dbraw/zinc/26/62/23/565266223.db2.gz PVRXSFFIRBMFPP-KRWDZBQOSA-N 1 0 397.313 2.863 20 0 GFADRO CC[C@@H]1CN(C(=O)c2ccc(I)c(F)c2)CC[C@H]1[NH3+] ZINC000592332861 565270430 /nfs/dbraw/zinc/27/04/30/565270430.db2.gz POMIBRUAAYYBEO-NOZJJQNGSA-N 1 0 376.213 2.630 20 0 GFADRO Cc1cc(Br)c(CNC(=O)NCCCC[NH+]2CCOCC2)s1 ZINC000660403056 565273082 /nfs/dbraw/zinc/27/30/82/565273082.db2.gz NCKCBBBNUBINTA-UHFFFAOYSA-N 1 0 390.347 2.731 20 0 GFADRO CO[C@H]1CN(Cc2nc(-c3ccc(Br)s3)no2)[C@@](C)(CO)C1 ZINC000639998520 565273221 /nfs/dbraw/zinc/27/32/21/565273221.db2.gz CZBYBOMSFACACZ-YMTOWFKASA-N 1 0 388.287 2.532 20 0 GFADRO O=C(CCOc1ccc(Cl)cc1Cl)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000592412479 565275006 /nfs/dbraw/zinc/27/50/06/565275006.db2.gz PMEMWYJFECWJSR-CVEARBPZSA-N 1 0 387.307 2.820 20 0 GFADRO COC(=O)c1cc(NC(=O)N[C@@H](C)C[C@H](C)[NH3+])c(Br)cc1F ZINC000592426813 565275651 /nfs/dbraw/zinc/27/56/51/565275651.db2.gz RFLHDGDSDIWFKN-YUMQZZPRSA-N 1 0 376.226 2.622 20 0 GFADRO CN(Cc1ccc(Cl)s1)C(=O)CN1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000660470836 565277909 /nfs/dbraw/zinc/27/79/09/565277909.db2.gz YETAMVNHDCHSTQ-OAHLLOKOSA-N 1 0 385.961 2.547 20 0 GFADRO C[NH+](C)CCn1nccc1NC(=O)N1CCc2cc(Br)ccc21 ZINC000640174917 565285550 /nfs/dbraw/zinc/28/55/50/565285550.db2.gz SDKIBSPIOFNLEX-UHFFFAOYSA-N 1 0 378.274 2.802 20 0 GFADRO CN1CC(=O)N(CC[N@@H+]2CCCC[C@H]2Cc2ccccc2Br)C1=O ZINC000660646300 565286934 /nfs/dbraw/zinc/28/69/34/565286934.db2.gz HUUVLKLYBCBBKO-HNNXBMFYSA-N 1 0 394.313 2.740 20 0 GFADRO CN(Cc1ccccc1Br)C(=O)C[N@H+](C1CC1)C1(CO)CCC1 ZINC000660775638 565293697 /nfs/dbraw/zinc/29/36/97/565293697.db2.gz BQYMDDVBCMKHMO-UHFFFAOYSA-N 1 0 381.314 2.787 20 0 GFADRO CCOC(=O)C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)c1cccc(Br)c1 ZINC000592787557 565296440 /nfs/dbraw/zinc/29/64/40/565296440.db2.gz PTSZFTSCBPGEAL-DAXOMENPSA-N 1 0 397.313 2.900 20 0 GFADRO Cn1cc(Br)c(NC(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)n1 ZINC000640307373 565296702 /nfs/dbraw/zinc/29/67/02/565296702.db2.gz CTNVXUHKPSTAEU-OAHLLOKOSA-N 1 0 392.301 3.141 20 0 GFADRO COc1ncc(Br)cc1C[NH2+][C@@H](C1CCOCC1)C1(CO)CCC1 ZINC000660864638 565296959 /nfs/dbraw/zinc/29/69/59/565296959.db2.gz SPHSYQDBEJAPII-INIZCTEOSA-N 1 0 399.329 2.900 20 0 GFADRO CCCN(C(=O)c1ccc(F)c(I)c1)[C@H]1CC[N@H+](C)C1 ZINC000592829730 565299239 /nfs/dbraw/zinc/29/92/39/565299239.db2.gz XASAUGQONLFAOW-LBPRGKRZSA-N 1 0 390.240 2.987 20 0 GFADRO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)Nc1nn(C)cc1Br)[NH+](C)C ZINC000640314733 565301045 /nfs/dbraw/zinc/30/10/45/565301045.db2.gz JOHRXHNQQIYAOV-IUODEOHRSA-N 1 0 394.317 3.304 20 0 GFADRO CCCN(C(=O)Nc1nnc(C(F)(F)C(F)(F)F)s1)[C@@H]1CC[N@H+](C)C1 ZINC000640387057 565307020 /nfs/dbraw/zinc/30/70/20/565307020.db2.gz NPQDSXVJALMPCG-MRVPVSSYSA-N 1 0 387.378 3.140 20 0 GFADRO COC[C@@H]([NH2+]CC(=O)N(C)Cc1cc(Cl)cc(Cl)c1)C1CCOCC1 ZINC000661157711 565310283 /nfs/dbraw/zinc/31/02/83/565310283.db2.gz JTJXSIIODYJQFT-QGZVFWFLSA-N 1 0 389.323 2.983 20 0 GFADRO C[C@H](NC(=O)C[N@@H+]1CC[C@@H](Cn2ccnn2)C1)c1ccc(Cl)cc1Cl ZINC000661141492 565310485 /nfs/dbraw/zinc/31/04/85/565310485.db2.gz OESGPUXQWLZHSB-QWHCGFSZSA-N 1 0 382.295 2.784 20 0 GFADRO C[C@@H](CCN1C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C1)OCc1ccccc1 ZINC000661190746 565312779 /nfs/dbraw/zinc/31/27/79/565312779.db2.gz HWEAGMSMYLWSLC-BPUTZDHNSA-N 1 0 379.444 2.889 20 0 GFADRO COC(=O)[C@@H]1C[N@H+](Cc2cn3cc(Br)ccc3n2)C[C@H]1C1CC1 ZINC000593129657 565314913 /nfs/dbraw/zinc/31/49/13/565314913.db2.gz SIGCFRXBUCSOEO-LSDHHAIUSA-N 1 0 378.270 2.728 20 0 GFADRO COC(=O)c1ccc(C[N@H+]2C[C@@H](C(=O)OC)[C@H](C3CC3)C2)c(Br)c1 ZINC000593132241 565315557 /nfs/dbraw/zinc/31/55/57/565315557.db2.gz YOJLDBABPQWTJN-LSDHHAIUSA-N 1 0 396.281 2.867 20 0 GFADRO O=C(NCCc1cccc(Br)c1)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000661302779 565318036 /nfs/dbraw/zinc/31/80/36/565318036.db2.gz BITWXTZAJCQPLK-QGZVFWFLSA-N 1 0 396.329 2.544 20 0 GFADRO C[C@@H](C(=O)Nc1ccc(Br)cc1)n1cc([C@H]2CCC[NH2+]C2)nn1 ZINC000640801668 565329264 /nfs/dbraw/zinc/32/92/64/565329264.db2.gz WBPZZLKVNQVLON-RYUDHWBXSA-N 1 0 378.274 2.707 20 0 GFADRO O[C@@H](COc1cc(F)cc(Br)c1)C[N@@H+]1CCC[C@](O)(C2CC2)C1 ZINC000661628533 565331863 /nfs/dbraw/zinc/33/18/63/565331863.db2.gz VEQPHOMCELSVNE-NVXWUHKLSA-N 1 0 388.277 2.565 20 0 GFADRO C[C@H]1[C@H](C)[N@H+](C)CCN1c1ncnc2cc(I)sc21 ZINC000593469164 565334582 /nfs/dbraw/zinc/33/45/82/565334582.db2.gz IIUOZNJOQBJYKY-IUCAKERBSA-N 1 0 388.278 2.825 20 0 GFADRO Cn1cc(C[C@@H]2CCC[C@H]2[NH2+][C@@H](C(N)=O)c2ccc(Br)cc2)cn1 ZINC000661775911 565337854 /nfs/dbraw/zinc/33/78/54/565337854.db2.gz DKYXZCCFXCSIEK-USXIJHARSA-N 1 0 391.313 2.710 20 0 GFADRO C[C@@H](c1ccc(Cl)c(Cl)c1)n1cc(CNC(=O)C2CC[NH2+]CC2)nn1 ZINC000640989740 565340018 /nfs/dbraw/zinc/34/00/18/565340018.db2.gz GNQWARSIOMXQNS-NSHDSACASA-N 1 0 382.295 2.810 20 0 GFADRO Brc1ccc(-c2nc(Cn3cc(C[C@@H]4CC[NH2+]C4)nn3)co2)cc1 ZINC000641000086 565340881 /nfs/dbraw/zinc/34/08/81/565340881.db2.gz SHUCXNUPZSXZEF-LBPRGKRZSA-N 1 0 388.269 2.896 20 0 GFADRO Brc1ccc(/C=C/CCn2cc(CN3CC[NH2+]CC3)nn2)cc1 ZINC000641058824 565343339 /nfs/dbraw/zinc/34/33/39/565343339.db2.gz WJRYSZSVTGLZDZ-HNQUOIGGSA-N 1 0 376.302 2.549 20 0 GFADRO CC[C@@](C)([NH3+])c1cn(Cc2noc(Cc3ccc(Br)cc3)n2)nn1 ZINC000641042773 565343489 /nfs/dbraw/zinc/34/34/89/565343489.db2.gz QIKXLVMNKPNLKD-MRXNPFEDSA-N 1 0 391.273 2.647 20 0 GFADRO CC(C)[C@H]([NH3+])c1cn(Cc2nc(Cc3cccc(Br)c3)no2)nn1 ZINC000641044331 565343697 /nfs/dbraw/zinc/34/36/97/565343697.db2.gz YYFMSUVOCKRHRD-INIZCTEOSA-N 1 0 391.273 2.719 20 0 GFADRO O=C1[C@@H](n2cc(C[C@@H]3CC[NH2+]C3)nn2)CCN1c1ccc(Cl)c(Cl)c1 ZINC000641108831 565346075 /nfs/dbraw/zinc/34/60/75/565346075.db2.gz ORZIIMRSEJKBNB-ZBEGNZNMSA-N 1 0 380.279 2.715 20 0 GFADRO O=C1CCCN1C[C@@H]1CC[N@@H+](C[C@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000662062906 565348633 /nfs/dbraw/zinc/34/86/33/565348633.db2.gz SBLYPNMLWJAKBQ-HIFRSBDPSA-N 1 0 387.307 2.677 20 0 GFADRO CC[C@H]1C[N@H+](C)CCCN1C(=O)c1ccc(I)c(F)c1 ZINC000619578263 565349812 /nfs/dbraw/zinc/34/98/12/565349812.db2.gz FIAOPUKSUGORIG-LBPRGKRZSA-N 1 0 390.240 2.987 20 0 GFADRO C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+]1C[C@H](C)[C@](C)(CO)C1 ZINC000662138536 565351610 /nfs/dbraw/zinc/35/16/10/565351610.db2.gz WVVQAIFSTGCQOM-IYOUNJFTSA-N 1 0 383.330 2.746 20 0 GFADRO O=C(CCN1CCC([N@@H+]2CC[C@@H](O)C2)CC1)Nc1c(Cl)cccc1Cl ZINC000662154788 565352474 /nfs/dbraw/zinc/35/24/74/565352474.db2.gz ZJNNMAMJWXXVQM-CQSZACIVSA-N 1 0 386.323 2.853 20 0 GFADRO O[C@H](COc1c(Cl)cccc1Cl)Cn1cc(C[C@@H]2CCC[NH2+]C2)nn1 ZINC000641201861 565353273 /nfs/dbraw/zinc/35/32/73/565353273.db2.gz GTYJUQDWZAOPSJ-JSGCOSHPSA-N 1 0 385.295 2.567 20 0 GFADRO C[NH+](C)CCC[C@H]1CN(Cc2cc3c(c(Br)c2)OCO3)CCO1 ZINC000662324402 565360614 /nfs/dbraw/zinc/36/06/14/565360614.db2.gz XEQYFJRDYDXGBF-AWEZNQCLSA-N 1 0 385.302 2.720 20 0 GFADRO CN[C@H](C(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1)c1cccc(Cl)c1Cl ZINC000662352555 565361837 /nfs/dbraw/zinc/36/18/37/565361837.db2.gz XFQBOGZSXURQSP-DYVFJYSZSA-N 1 0 388.339 2.727 20 0 GFADRO O=C(NCc1cc(F)ccc1Br)c1cc(C2CC[NH2+]CC2)no1 ZINC000662395058 565365153 /nfs/dbraw/zinc/36/51/53/565365153.db2.gz PNOXKOXXEOPDDD-UHFFFAOYSA-N 1 0 382.233 2.973 20 0 GFADRO O=C(Cc1ccc(Br)c(Br)c1)N[C@@H]1CCC[NH2+]C1 ZINC000662396685 565365195 /nfs/dbraw/zinc/36/51/95/565365195.db2.gz ZWQXFQLBKOYLSS-SNVBAGLBSA-N 1 0 376.092 2.622 20 0 GFADRO C[NH2+]C1CCN(C(=O)Cc2ccc(Br)c(Br)c2)CC1 ZINC000662416324 565366339 /nfs/dbraw/zinc/36/63/39/565366339.db2.gz WUQYMDOTESKHFD-UHFFFAOYSA-N 1 0 390.119 2.965 20 0 GFADRO CN[C@H](C(=O)NCCC[NH2+]Cc1cccnc1)c1cccc(Cl)c1Cl ZINC000662398652 565366789 /nfs/dbraw/zinc/36/67/89/565366789.db2.gz ZVSMHUVYIHSCAD-KRWDZBQOSA-N 1 0 381.307 2.945 20 0 GFADRO O=C(NCCC1CC[NH2+]CC1)c1ccc(F)cc1I ZINC000593919421 565367311 /nfs/dbraw/zinc/36/73/11/565367311.db2.gz QMRCRTIANXSIGQ-UHFFFAOYSA-N 1 0 376.213 2.550 20 0 GFADRO CCN(CC)S(=O)(=O)c1cc(NC(=O)[C@H]2[NH2+]CCC2(C)C)ccc1Cl ZINC000662440472 565367514 /nfs/dbraw/zinc/36/75/14/565367514.db2.gz MRMRTHXJZNSREU-OAHLLOKOSA-N 1 0 387.933 2.697 20 0 GFADRO CC[C@H]([NH2+]C)C(=O)N1CCC(C(=O)Nc2ccccc2Br)CC1 ZINC000662438196 565367896 /nfs/dbraw/zinc/36/78/96/565367896.db2.gz VHHIVVTXYXNARG-AWEZNQCLSA-N 1 0 382.302 2.624 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)C1([NH2+]C2CC2)CCC1 ZINC000662445729 565369060 /nfs/dbraw/zinc/36/90/60/565369060.db2.gz RWDCQLURCYDBQD-UHFFFAOYSA-N 1 0 394.313 2.829 20 0 GFADRO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)[C@H](N)c2ccccc2Br)C1 ZINC000662487069 565371489 /nfs/dbraw/zinc/37/14/89/565371489.db2.gz SALCVWFGSUKDPV-RHSMWYFYSA-N 1 0 380.330 2.639 20 0 GFADRO CN(Cc1cc(Br)cs1)C(=O)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC000662502309 565372235 /nfs/dbraw/zinc/37/22/35/565372235.db2.gz UXSFCHUCVRSMSV-LBPRGKRZSA-N 1 0 398.330 2.689 20 0 GFADRO COc1cc(CS(=O)(=O)NC(C)(C)CC[NH+]2CCCCCC2)sn1 ZINC000641433230 565372457 /nfs/dbraw/zinc/37/24/57/565372457.db2.gz LAHDBWAWNREYFY-UHFFFAOYSA-N 1 0 375.560 2.616 20 0 GFADRO O=C(c1cc(-c2cccc(Br)c2)no1)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000662519149 565374070 /nfs/dbraw/zinc/37/40/70/565374070.db2.gz NLCZZVSCXUBGRE-IAQYHMDHSA-N 1 0 376.254 2.928 20 0 GFADRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)c2ccc(F)c(I)c2)C1 ZINC000594103309 565376408 /nfs/dbraw/zinc/37/64/08/565376408.db2.gz ZTKKZPWSWZSOTB-JGZJWPJOSA-N 1 0 376.213 2.500 20 0 GFADRO N[C@@H](C(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3)c1ccccc1Br ZINC000662577659 565378260 /nfs/dbraw/zinc/37/82/60/565378260.db2.gz BVGLCDJIXCCGOQ-JNOJRNRHSA-N 1 0 392.341 2.719 20 0 GFADRO O=C(NCc1cc2c(c(Br)c1)OCO2)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000620323109 565378866 /nfs/dbraw/zinc/37/88/66/565378866.db2.gz FJSIEINIVZKPLD-KBPBESRZSA-N 1 0 396.285 2.604 20 0 GFADRO COc1ccc(CN(C)C(=O)[C@](C)([NH3+])c2ccc(Br)cc2)cn1 ZINC000662619101 565379775 /nfs/dbraw/zinc/37/97/75/565379775.db2.gz IRERSYPUIBRSET-QGZVFWFLSA-N 1 0 378.270 2.685 20 0 GFADRO [NH3+]C1(CNC(=O)c2nn(-c3ccc(F)cc3)cc2Br)CCCC1 ZINC000662646701 565380544 /nfs/dbraw/zinc/38/05/44/565380544.db2.gz BMHWCTWIIXAHHR-UHFFFAOYSA-N 1 0 381.249 2.775 20 0 GFADRO CCO[C@@H]1C[C@@]([NH3+])(C(=O)NCc2sc(C)cc2Br)C1(C)C ZINC000662667989 565381313 /nfs/dbraw/zinc/38/13/13/565381313.db2.gz FOJFXXJKMBBQFG-IUODEOHRSA-N 1 0 375.332 2.968 20 0 GFADRO [NH3+]CC12CC(C1)CN2C(=O)COc1ccc2cc(Br)ccc2c1 ZINC000662677943 565382163 /nfs/dbraw/zinc/38/21/63/565382163.db2.gz XKWSZIDWUGHQTD-UHFFFAOYSA-N 1 0 375.266 2.931 20 0 GFADRO CC1(C)CC[NH2+][C@@H]1C(=O)NC[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000662696786 565382346 /nfs/dbraw/zinc/38/23/46/565382346.db2.gz UYZCUZDWYFKBKS-CZUORRHYSA-N 1 0 380.330 2.780 20 0 GFADRO Cc1nn(-c2ccc(C(=O)N3CC4CC3(C[NH3+])C4)cc2)c(C)c1Br ZINC000662676298 565382455 /nfs/dbraw/zinc/38/24/55/565382455.db2.gz BCGJXFJMNSYYBJ-UHFFFAOYSA-N 1 0 389.297 2.815 20 0 GFADRO [NH3+]C[C@@H](C(=O)N1CCOc2cc(Br)ccc2C1)c1ccccc1 ZINC000662740313 565383069 /nfs/dbraw/zinc/38/30/69/565383069.db2.gz FOLIFYCXHRHXLB-MRXNPFEDSA-N 1 0 375.266 2.913 20 0 GFADRO CCC(C)(C)[NH+]1CCN(C(=O)c2ccc(I)cn2)CC1 ZINC000594390532 565383345 /nfs/dbraw/zinc/38/33/45/565383345.db2.gz XISOKXTZZBUUIN-UHFFFAOYSA-N 1 0 387.265 2.633 20 0 GFADRO Cc1c(F)c(Br)ccc1C(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000620475539 565384632 /nfs/dbraw/zinc/38/46/32/565384632.db2.gz ROXHVJFQWWJZQG-CYBMUJFWSA-N 1 0 385.277 2.568 20 0 GFADRO COC[C@@]1(CNC(=O)c2cc3c(ccc(Br)c3C)[nH]2)CCC[NH2+]1 ZINC000662782321 565385035 /nfs/dbraw/zinc/38/50/35/565385035.db2.gz YQYLDUUDCUHYRY-KRWDZBQOSA-N 1 0 380.286 2.737 20 0 GFADRO O=C(Nc1cc(F)c(I)c(F)c1)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC000594436146 565385343 /nfs/dbraw/zinc/38/53/43/565385343.db2.gz IDLILNXGVIBHEI-YMTOWFKASA-N 1 0 392.187 2.898 20 0 GFADRO C[C@@H](Oc1ccc(Cl)c(Cl)c1)C(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000620486412 565385703 /nfs/dbraw/zinc/38/57/03/565385703.db2.gz GDKUXYLKJAQNPK-TZMCWYRMSA-N 1 0 387.307 2.818 20 0 GFADRO CC1(C)CC[NH2+][C@@H]1C(=O)NCc1noc(-c2cccc(Br)c2)n1 ZINC000662811408 565386149 /nfs/dbraw/zinc/38/61/49/565386149.db2.gz YAZLYHACPMYYCR-CYBMUJFWSA-N 1 0 379.258 2.503 20 0 GFADRO C[C@H](C[NH+](C)C)[C@@H]1CCCCN1S(=O)(=O)c1ncccc1Br ZINC000641622871 565386673 /nfs/dbraw/zinc/38/66/73/565386673.db2.gz CWSQYCDRNJQGES-OCCSQVGLSA-N 1 0 390.347 2.585 20 0 GFADRO COc1ccc(CCC(=O)Nc2nn(C)c(C)c2C[NH3+])c(Br)c1 ZINC000662836397 565387060 /nfs/dbraw/zinc/38/70/60/565387060.db2.gz YZTSJYCKNZIODX-UHFFFAOYSA-N 1 0 381.274 2.530 20 0 GFADRO O=C(COC1CC[NH2+]CC1)N1CCc2[nH]c3ccc(Br)cc3c2C1 ZINC000662863066 565388218 /nfs/dbraw/zinc/38/82/18/565388218.db2.gz YJAWUUVIEYLAIW-UHFFFAOYSA-N 1 0 392.297 2.584 20 0 GFADRO [NH3+][C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)CC[C@H]1F ZINC000662925824 565389245 /nfs/dbraw/zinc/38/92/45/565389245.db2.gz TZPDKMQISIFKBL-RBSFLKMASA-N 1 0 388.270 2.555 20 0 GFADRO N[C@@H](C(=O)NCC1CC[NH+](CC2CC2)CC1)c1ccccc1Br ZINC000662980361 565391129 /nfs/dbraw/zinc/39/11/29/565391129.db2.gz ONSHBNBSMCJXLS-QGZVFWFLSA-N 1 0 380.330 2.687 20 0 GFADRO Cc1cc(Br)ccc1[C@@H](C)[NH2+]C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000641776773 565398605 /nfs/dbraw/zinc/39/86/05/565398605.db2.gz CIFNDRRQVABAIF-CHWSQXEVSA-N 1 0 375.332 2.690 20 0 GFADRO C[NH+](C)C[C@@H]1COC2(CCCC2)CN1C(=O)c1ncsc1Br ZINC000620912779 565401159 /nfs/dbraw/zinc/40/11/59/565401159.db2.gz SUHHRSGWVDGINQ-LLVKDONJSA-N 1 0 388.331 2.621 20 0 GFADRO C[C@@H](CC(=O)NCC1CC[NH+](CC2CC2)CC1)n1cc(Br)cn1 ZINC000620938275 565402448 /nfs/dbraw/zinc/40/24/48/565402448.db2.gz STLNOQCMETTYKX-ZDUSSCGKSA-N 1 0 383.334 2.835 20 0 GFADRO C[C@@H](Oc1ccc(Br)cc1)C(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000620964393 565403253 /nfs/dbraw/zinc/40/32/53/565403253.db2.gz ZHGIYUKCPSALRB-RHSMWYFYSA-N 1 0 399.329 2.786 20 0 GFADRO COc1cc(Br)ccc1C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000620966530 565403348 /nfs/dbraw/zinc/40/33/48/565403348.db2.gz IBAILTUMYYAQER-AWEZNQCLSA-N 1 0 385.302 2.641 20 0 GFADRO CC(C)(COc1ncc(Cl)cc1Cl)NC(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000641978397 565403634 /nfs/dbraw/zinc/40/36/34/565403634.db2.gz DEVUFRJOYHZKSU-NSHDSACASA-N 1 0 397.253 2.842 20 0 GFADRO [NH3+]CCCCc1cn(Cc2ccc(I)c(Cl)c2)nn1 ZINC000594656265 565404182 /nfs/dbraw/zinc/40/41/82/565404182.db2.gz WQJZDXSTNAQDTC-UHFFFAOYSA-N 1 0 390.656 2.866 20 0 GFADRO C[C@H](NC(=O)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1)c1cc(F)c(Cl)cc1Cl ZINC000642096211 565405172 /nfs/dbraw/zinc/40/51/72/565405172.db2.gz QTMXCGUEFLMFDU-WMFXKJRFSA-N 1 0 388.270 2.520 20 0 GFADRO C[C@H](NC(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1)c1cc(F)c(Cl)cc1Cl ZINC000642096212 565405261 /nfs/dbraw/zinc/40/52/61/565405261.db2.gz QTMXCGUEFLMFDU-YHAQOWFVSA-N 1 0 388.270 2.520 20 0 GFADRO CN(Cc1c(F)cccc1Cl)S(=O)(=O)NCC[NH+]1CCCCCC1 ZINC000642333409 565411580 /nfs/dbraw/zinc/41/15/80/565411580.db2.gz MHTZATBRFHJCKR-UHFFFAOYSA-N 1 0 377.913 2.621 20 0 GFADRO CN([C@H](C[NH3+])C(F)(F)F)S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000663312559 565411884 /nfs/dbraw/zinc/41/18/84/565411884.db2.gz ZGZIJCXYYJJJOX-SECBINFHSA-N 1 0 384.729 2.869 20 0 GFADRO Cc1ccc(NC(=O)NCC(C)(C)N2CC[NH+](C)CC2)cc1Br ZINC000642487279 565413641 /nfs/dbraw/zinc/41/36/41/565413641.db2.gz JWAJZTVWXGBEEB-UHFFFAOYSA-N 1 0 383.334 2.905 20 0 GFADRO C[C@@H](CNS(=O)(=O)c1cccc(OC(F)(F)F)c1)[N@@H+]1CCC[C@H](C)C1 ZINC000642515757 565414039 /nfs/dbraw/zinc/41/40/39/565414039.db2.gz FQASBDPCRRXOAL-STQMWFEESA-N 1 0 380.432 2.984 20 0 GFADRO CCS(=O)(=O)C1(C[NH2+]CCC(=O)Nc2cccc(C(F)(F)F)c2)CC1 ZINC000663363895 565415450 /nfs/dbraw/zinc/41/54/50/565415450.db2.gz HMRFOXQJFUDHBN-UHFFFAOYSA-N 1 0 378.416 2.591 20 0 GFADRO CC(C)[C@@H](CNc1ccc(S(N)(=O)=O)cc1C(F)(F)F)[NH+]1CCCC1 ZINC000663377429 565416206 /nfs/dbraw/zinc/41/62/06/565416206.db2.gz ACNGQWYRVJGZBT-OAHLLOKOSA-N 1 0 379.448 2.885 20 0 GFADRO CC(C)[C@@H](CNc1ccc(S(N)(=O)=O)c(C(F)(F)F)c1)[NH+]1CCCC1 ZINC000663379488 565416226 /nfs/dbraw/zinc/41/62/26/565416226.db2.gz NVAMQLJNIZLGJS-CQSZACIVSA-N 1 0 379.448 2.885 20 0 GFADRO C[C@H](CNc1cc(Br)cnn1)[NH+]1CCN(c2ccccc2)CC1 ZINC000663389584 565417761 /nfs/dbraw/zinc/41/77/61/565417761.db2.gz MTZGJILGAWOPMT-CQSZACIVSA-N 1 0 376.302 2.862 20 0 GFADRO COc1cc(C[NH2+][C@H](C2CC2)C2(CO)CCOCC2)c(Br)cn1 ZINC000621314141 565418799 /nfs/dbraw/zinc/41/87/99/565418799.db2.gz KTVDOICKECLGIR-MRXNPFEDSA-N 1 0 385.302 2.510 20 0 GFADRO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1cc(Br)c[nH]c1=O ZINC000621312380 565419261 /nfs/dbraw/zinc/41/92/61/565419261.db2.gz SKZGHIYZAJBLJV-UHFFFAOYSA-N 1 0 390.281 2.944 20 0 GFADRO CNS(=O)(=O)CC[N@@H+]1CCC[C@]1(C)Cc1ccc(OC(F)(F)F)cc1 ZINC000621315683 565419489 /nfs/dbraw/zinc/41/94/89/565419489.db2.gz BKLQTHKOUWXSRU-OAHLLOKOSA-N 1 0 380.432 2.531 20 0 GFADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)NC[C@H]2CC[N@@H+](C(C)(C)C)C2)c1 ZINC000594788874 565421175 /nfs/dbraw/zinc/42/11/75/565421175.db2.gz HKCDXEJURPXWNL-GFCCVEGCSA-N 1 0 388.917 2.525 20 0 GFADRO O[C@H](C[NH2+][C@H]1CCCSc2ccc(Br)cc21)Cn1ccnn1 ZINC000663449891 565421425 /nfs/dbraw/zinc/42/14/25/565421425.db2.gz UAURHOBOOPJKJJ-OCCSQVGLSA-N 1 0 383.315 2.618 20 0 GFADRO C[NH+]1CCN(C[C@@H](Nc2cc(Br)cnn2)c2ccccc2)CC1 ZINC000663534869 565425854 /nfs/dbraw/zinc/42/58/54/565425854.db2.gz RGSBFHKBZYQCCR-MRXNPFEDSA-N 1 0 376.302 2.640 20 0 GFADRO Brc1ccc2nnc(NCC3([NH+]4CCCC4)CCOCC3)n2c1 ZINC000663547473 565425868 /nfs/dbraw/zinc/42/58/68/565425868.db2.gz SQQSJTGJODHHIH-UHFFFAOYSA-N 1 0 380.290 2.549 20 0 GFADRO C[C@@]1(NC(=O)Nc2ccnn2Cc2ccccc2Br)CC[NH2+]C1 ZINC000663589639 565426897 /nfs/dbraw/zinc/42/68/97/565426897.db2.gz BOYKKISXAYLEJN-MRXNPFEDSA-N 1 0 378.274 2.567 20 0 GFADRO C[C@@H](CNC(=O)c1cc(Br)c[nH]c1=O)[N@@H+]1CCc2ccccc2C1 ZINC000621529110 565429201 /nfs/dbraw/zinc/42/92/01/565429201.db2.gz VDAYONPFNWMNIK-LBPRGKRZSA-N 1 0 390.281 2.726 20 0 GFADRO Cc1nc(C)c(Br)c(N2CCN(C3CC[NH+](C(C)C)CC3)CC2)n1 ZINC000663731477 565433127 /nfs/dbraw/zinc/43/31/27/565433127.db2.gz JLHOQBMJYJQTDI-UHFFFAOYSA-N 1 0 396.377 2.851 20 0 GFADRO COc1cc(Br)c(CNC(=O)CC[C@@H]2CCC[NH2+]C2)cc1OC ZINC000621633279 565434265 /nfs/dbraw/zinc/43/42/65/565434265.db2.gz SRIMFGJDQIDRQS-LBPRGKRZSA-N 1 0 385.302 2.862 20 0 GFADRO O=C(NCCCc1cccc(Br)c1)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000643495170 565434531 /nfs/dbraw/zinc/43/45/31/565434531.db2.gz DZMKOUUPXGJPAD-KRWDZBQOSA-N 1 0 391.313 2.933 20 0 GFADRO C[C@H]([NH2+]Cc1cc(Cl)ccc1I)[C@@H]1CN(C)CCO1 ZINC000594931312 565435897 /nfs/dbraw/zinc/43/58/97/565435897.db2.gz NPYDTUVQLHPLED-HZMBPMFUSA-N 1 0 394.684 2.753 20 0 GFADRO Ic1ccc(OCC[NH2+]Cc2cnn3c2CCC3)cc1 ZINC000594941451 565435991 /nfs/dbraw/zinc/43/59/91/565435991.db2.gz TYZQNYXNYOGVPX-UHFFFAOYSA-N 1 0 383.233 2.603 20 0 GFADRO C[C@H]1COCCN1CC[NH2+]Cc1cc(Cl)ccc1I ZINC000594919292 565436010 /nfs/dbraw/zinc/43/60/10/565436010.db2.gz HKNBSEUJDCZLDB-NSHDSACASA-N 1 0 394.684 2.755 20 0 GFADRO O=C(c1cc2c(cc1Br)OCO2)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000621676661 565436132 /nfs/dbraw/zinc/43/61/32/565436132.db2.gz XPCRJXWIMGBYKD-GFCCVEGCSA-N 1 0 381.270 2.878 20 0 GFADRO O=C(c1cc2c(cc1Br)OCO2)N1CC[NH2+]C[C@H]1c1ccccc1 ZINC000621664739 565436201 /nfs/dbraw/zinc/43/62/01/565436201.db2.gz GGNRSUHDYTVZIN-HNNXBMFYSA-N 1 0 389.249 2.965 20 0 GFADRO COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+][C@H]1CCN(c2ccc(Br)c(C)c2)C1=O ZINC000594943448 565437212 /nfs/dbraw/zinc/43/72/12/565437212.db2.gz DXKMXJXWRUPKDA-MEWXFMAXSA-N 1 0 395.297 2.650 20 0 GFADRO COc1ccc(Br)cc1C(=O)CCC(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000621683200 565437353 /nfs/dbraw/zinc/43/73/53/565437353.db2.gz RHTGCHPDGQDGCN-KZULUSFZSA-N 1 0 395.297 2.760 20 0 GFADRO [NH3+][C@@]12CCC[C@H]1CN(C(=O)C1(c3ccc(Br)cc3)CCOCC1)C2 ZINC000621697613 565438366 /nfs/dbraw/zinc/43/83/66/565438366.db2.gz LCRSXLUTBLMQSZ-HNAYVOBHSA-N 1 0 393.325 2.837 20 0 GFADRO C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000621780453 565441366 /nfs/dbraw/zinc/44/13/66/565441366.db2.gz RPGJXUINXWPENZ-DDUZABMNSA-N 1 0 380.330 2.609 20 0 GFADRO OC1(CC[NH2+][C@@H]2CCc3ccc(I)cc32)CCOCC1 ZINC000595041282 565444333 /nfs/dbraw/zinc/44/43/33/565444333.db2.gz DOQDNRSFNASMAZ-OAHLLOKOSA-N 1 0 387.261 2.800 20 0 GFADRO C[C@H]1CN(C(=O)NCC(F)(F)c2ccc(Br)cc2)CC[C@@H]1[NH3+] ZINC000621851368 565445025 /nfs/dbraw/zinc/44/50/25/565445025.db2.gz RVPAZSVVAYRAHP-GWCFXTLKSA-N 1 0 376.245 2.920 20 0 GFADRO CO[C@@H]1COCC[C@@H]1C[NH2+][C@@H]1CCc2ccc(I)cc21 ZINC000595042627 565445175 /nfs/dbraw/zinc/44/51/75/565445175.db2.gz UAJYQSQQDLQYJE-DAXOMENPSA-N 1 0 387.261 2.920 20 0 GFADRO Cc1nc(C)c(Br)c(N2C[C@H]3C[C@@H](C2)Cn2c(=O)cccc23)n1 ZINC000663951885 565445341 /nfs/dbraw/zinc/44/53/41/565445341.db2.gz FRACDEMOBJCKGK-QWHCGFSZSA-N 1 0 375.270 2.641 20 0 GFADRO C[C@@H]1CN(CCNC(=O)N[C@@H]2CCc3c2cccc3Br)[C@@H](C)CO1 ZINC000663955215 565445588 /nfs/dbraw/zinc/44/55/88/565445588.db2.gz JLOJTFMISUZOKS-OGHNNQOOSA-N 1 0 396.329 2.845 20 0 GFADRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)c1cc2c(cc1Br)OCO2 ZINC000621945537 565450863 /nfs/dbraw/zinc/45/08/63/565450863.db2.gz RLRPVLZOTNYKMJ-NSHDSACASA-N 1 0 383.286 2.980 20 0 GFADRO C[C@@H](NC(=O)c1cc(Br)c[nH]c1=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000621957384 565452112 /nfs/dbraw/zinc/45/21/12/565452112.db2.gz SGEDZSWUNVEREU-ABAIWWIYSA-N 1 0 378.270 2.971 20 0 GFADRO C[NH+](C)C1CC(NC(=O)Cc2ccc(Br)c(Br)c2)C1 ZINC000622011095 565455079 /nfs/dbraw/zinc/45/50/79/565455079.db2.gz MTMJCJSDXQCHJH-UHFFFAOYSA-N 1 0 390.119 2.963 20 0 GFADRO [NH3+][C@@]12CCC[C@H]1CN(S(=O)(=O)Cc1ccc(Cl)cc1Br)C2 ZINC000622014554 565455113 /nfs/dbraw/zinc/45/51/13/565455113.db2.gz HJHNYJTVMOCEDJ-SMDDNHRTSA-N 1 0 393.734 2.746 20 0 GFADRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)CCn2cc(Br)cn2)C1 ZINC000622010727 565455166 /nfs/dbraw/zinc/45/51/66/565455166.db2.gz VADJDLDICGPJKD-LZWOXQAQSA-N 1 0 383.334 2.900 20 0 GFADRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(C(=O)CCn2cc(Br)cn2)C1 ZINC000622010725 565455304 /nfs/dbraw/zinc/45/53/04/565455304.db2.gz VADJDLDICGPJKD-IIAWOOMASA-N 1 0 383.334 2.900 20 0 GFADRO [NH3+][C@@]12CCC[C@H]1CN(S(=O)(=O)c1cc(Cl)ccc1Br)C2 ZINC000622014855 565455366 /nfs/dbraw/zinc/45/53/66/565455366.db2.gz LPMNEVUZKFCJJK-TVQRCGJNSA-N 1 0 379.707 2.604 20 0 GFADRO Cc1cc(I)ccc1NC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000595230273 565457181 /nfs/dbraw/zinc/45/71/81/565457181.db2.gz OOEUCDQJQPAQCX-GHMZBOCLSA-N 1 0 377.201 2.503 20 0 GFADRO CO[C@@H]1CCN(C(=O)c2cnn(-c3ccc(Cl)cc3Cl)c2)[C@H](C[NH3+])C1 ZINC000644106274 565458908 /nfs/dbraw/zinc/45/89/08/565458908.db2.gz JYLLTELDCKHCBX-UONOGXRCSA-N 1 0 383.279 2.757 20 0 GFADRO COC[C@]1(CNC(=O)CCSc2ccc(Br)cc2)CCC[NH2+]1 ZINC000644125970 565460122 /nfs/dbraw/zinc/46/01/22/565460122.db2.gz MRQQRIRJQZDDMJ-MRXNPFEDSA-N 1 0 387.343 2.816 20 0 GFADRO CC[C@@H](Cc1cccc(Br)c1)C(=O)NC[C@]1(COC)CCC[NH2+]1 ZINC000644125785 565460584 /nfs/dbraw/zinc/46/05/84/565460584.db2.gz NLWSTQGOICVXGI-YJBOKZPZSA-N 1 0 383.330 2.903 20 0 GFADRO Cn1cc([C@@H]2CN(C(=O)Nc3cc(Cl)cc(Br)c3)C[C@H]2[NH3+])cn1 ZINC000644186288 565462710 /nfs/dbraw/zinc/46/27/10/565462710.db2.gz XNAOQWNGGKVPOJ-UONOGXRCSA-N 1 0 398.692 2.795 20 0 GFADRO O[C@@]1(C(F)(F)F)CC[C@H]([NH2+]Cc2cn(-c3ccc(F)cc3Cl)nn2)C1 ZINC000644422686 565477296 /nfs/dbraw/zinc/47/72/96/565477296.db2.gz NHXDMOSHYYNNIB-HZMBPMFUSA-N 1 0 378.757 2.995 20 0 GFADRO C[C@H]1CN(CCNC(=O)N[C@@H]2C[C@H]2c2cccc(Br)c2)[C@@H](C)CO1 ZINC000664777231 565478615 /nfs/dbraw/zinc/47/86/15/565478615.db2.gz AHOOWBHXRWSVJW-MGBSGCIJSA-N 1 0 396.329 2.713 20 0 GFADRO Cc1ncc2c(n1)CC[C@@H]([NH2+]C[C@H](O)COc1ccc(Cl)c(Cl)c1)C2 ZINC000644518162 565478779 /nfs/dbraw/zinc/47/87/79/565478779.db2.gz QWAKGPZVQRWECC-KGLIPLIRSA-N 1 0 382.291 2.979 20 0 GFADRO C[NH+](C)CCC[C@@H]1CN(C(=O)NCc2cc(F)c(Cl)cc2F)CCO1 ZINC000664778646 565478938 /nfs/dbraw/zinc/47/89/38/565478938.db2.gz KJCHQTMJVAFHGE-CYBMUJFWSA-N 1 0 375.847 2.870 20 0 GFADRO COC[C@@H](C[N@@H+]1CC[C@@H](Cc2cccc(I)c2)C1)OC ZINC000595506748 565479748 /nfs/dbraw/zinc/47/97/48/565479748.db2.gz LGHPNCLCYZDYRP-GOEBONIOSA-N 1 0 389.277 2.817 20 0 GFADRO Cc1ccn2cc(C[NH2+]C[C@@H](O)COc3ccc(Br)cc3)nc2c1 ZINC000644526879 565480882 /nfs/dbraw/zinc/48/08/82/565480882.db2.gz GURCOONWTIMKMR-MRXNPFEDSA-N 1 0 390.281 2.935 20 0 GFADRO CCN(C(=O)N[C@@H]1COc2cc(F)c(Br)cc21)[C@H]1CC[N@H+](C)C1 ZINC000664834297 565481341 /nfs/dbraw/zinc/48/13/41/565481341.db2.gz VUCBSZNVLAPUSS-IINYFYTJSA-N 1 0 386.265 2.757 20 0 GFADRO COc1cc([C@H](C)[NH2+][C@@H]2CC[C@](O)(C(F)(F)F)C2)ccc1S(C)(=O)=O ZINC000644553080 565481714 /nfs/dbraw/zinc/48/17/14/565481714.db2.gz JUGHKAFGPLPIOU-JVLSTEMRSA-N 1 0 381.416 2.595 20 0 GFADRO O=S(=O)(CC[NH2+]CCOc1ncc(Cl)cc1Cl)c1ccc(F)cc1 ZINC000644596270 565484190 /nfs/dbraw/zinc/48/41/90/565484190.db2.gz IORHRLBSZSPYOA-UHFFFAOYSA-N 1 0 393.267 2.970 20 0 GFADRO CN1Cc2ccccc2[C@H]([NH2+]C[C@H](O)COc2cccc(Br)c2)C1 ZINC000644609823 565485461 /nfs/dbraw/zinc/48/54/61/565485461.db2.gz LMMOCSSOQXKOAX-QFBILLFUSA-N 1 0 391.309 2.965 20 0 GFADRO Cc1ccc(C)c(OC[C@H](O)C[NH2+]Cc2ccc(S(C)(=O)=O)s2)c1C ZINC000644630990 565486790 /nfs/dbraw/zinc/48/67/90/565486790.db2.gz VCMQONYYCSVGMC-OAHLLOKOSA-N 1 0 383.535 2.606 20 0 GFADRO CCOC(=O)COCCN1CCO[C@H](c2ccc(Br)cc2)[C@H]1C ZINC000595709153 565489092 /nfs/dbraw/zinc/48/90/92/565489092.db2.gz VOOKCGWVDKFRCS-DYVFJYSZSA-N 1 0 386.286 2.791 20 0 GFADRO C[C@@H]1[C@H](NC(=O)c2cc(Br)c[nH]c2=O)CC[N@@H+]1Cc1ccccc1 ZINC000623027281 565490590 /nfs/dbraw/zinc/49/05/90/565490590.db2.gz DTVWRLQOTGUBQK-MLGOLLRUSA-N 1 0 390.281 2.943 20 0 GFADRO C[NH+](C)CCC1CCN(C(=O)c2cc3c(cc2Br)OCO3)CC1 ZINC000623018849 565490635 /nfs/dbraw/zinc/49/06/35/565490635.db2.gz YKGLHCLUPJXFJW-UHFFFAOYSA-N 1 0 383.286 2.982 20 0 GFADRO COc1ccc(Br)cc1C(=O)CCC(=O)N1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC000644820386 565497331 /nfs/dbraw/zinc/49/73/31/565497331.db2.gz WVTWBLPDUNROIH-SWLSCSKDSA-N 1 0 395.297 2.583 20 0 GFADRO Cc1ccc2c(c1Br)CN(C(=O)c1cnn3c1[C@@H](C[NH3+])CCC3)C2 ZINC000595980981 565503785 /nfs/dbraw/zinc/50/37/85/565503785.db2.gz MJFFBAONBIXQRP-GFCCVEGCSA-N 1 0 389.297 2.946 20 0 GFADRO Cc1cc(CNC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)ncc1Br ZINC000623429138 565509027 /nfs/dbraw/zinc/50/90/27/565509027.db2.gz ORCMFNXUIAQSMN-LJQANCHMSA-N 1 0 390.325 2.879 20 0 GFADRO CC(C)[C@H](O)C[NH2+]Cc1cc(Cl)cc(Cl)c1OCCN1CCOCC1 ZINC000623421407 565509251 /nfs/dbraw/zinc/50/92/51/565509251.db2.gz KTTHQLFQZGIRSB-QGZVFWFLSA-N 1 0 391.339 2.811 20 0 GFADRO COC(=O)[C@H](NC1CC[NH+]([C@@H]2CCOC2)CC1)c1cccc(Br)c1 ZINC000596046519 565509820 /nfs/dbraw/zinc/50/98/20/565509820.db2.gz KNBGFZSUWHRBRD-IAGOWNOFSA-N 1 0 397.313 2.506 20 0 GFADRO COc1ncc(Br)cc1CNC(=O)NC1CC[NH+](CC(C)C)CC1 ZINC000623451271 565512116 /nfs/dbraw/zinc/51/21/16/565512116.db2.gz QNFRRVWVVODVTC-UHFFFAOYSA-N 1 0 399.333 2.772 20 0 GFADRO CN(CC(=O)Nc1ccccc1Br)c1nc(N)[nH+]c2c1CCCC2 ZINC000645095863 565512635 /nfs/dbraw/zinc/51/26/35/565512635.db2.gz JQMJRCAMQMGNJM-UHFFFAOYSA-N 1 0 390.285 2.775 20 0 GFADRO C[N@@H+]1CCCC[C@@H](CNC(=O)NCCOc2ccc(Br)cc2)C1 ZINC000623515914 565515100 /nfs/dbraw/zinc/51/51/00/565515100.db2.gz WAFWFFLEFUGZOM-AWEZNQCLSA-N 1 0 384.318 2.859 20 0 GFADRO COc1cc(C[NH2+][C@H]2CCN(S(=O)(=O)c3ccccc3)C2)ccc1Cl ZINC000623525966 565516977 /nfs/dbraw/zinc/51/69/77/565516977.db2.gz FDPHRPBTQKAOEV-HNNXBMFYSA-N 1 0 380.897 2.901 20 0 GFADRO C[C@H](NC(=O)N1CN(CC[NH+](C)C)C(=O)[C@H]1C)c1cccc(Cl)c1Cl ZINC000645229372 565517538 /nfs/dbraw/zinc/51/75/38/565517538.db2.gz BERNUPFJLHKWFA-NWDGAFQWSA-N 1 0 387.311 2.816 20 0 GFADRO Cc1cccc(CC(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)c1Br ZINC000623638736 565521773 /nfs/dbraw/zinc/52/17/73/565521773.db2.gz QKJHHHNOIWALBD-GJZGRUSLSA-N 1 0 383.330 2.916 20 0 GFADRO COc1ccc(C[NH2+]C[C@@H]2CCCN2CC(F)F)c(Br)c1O ZINC000623625377 565522023 /nfs/dbraw/zinc/52/20/23/565522023.db2.gz QGHRMEJZQGXRED-NSHDSACASA-N 1 0 379.245 2.982 20 0 GFADRO CCCOc1c(Br)cc(C[NH2+]C[C@H]2COCCN2C)cc1OC ZINC000623711270 565527103 /nfs/dbraw/zinc/52/71/03/565527103.db2.gz ZIWUTDOYVOLEAZ-AWEZNQCLSA-N 1 0 387.318 2.667 20 0 GFADRO Cc1cc(CNC(=O)NCC[C@@H](C)[NH+](C)C)ccc1I ZINC000596589999 565528629 /nfs/dbraw/zinc/52/86/29/565528629.db2.gz HZQWROJJMYDAFJ-GFCCVEGCSA-N 1 0 389.281 2.739 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+][C@@H]1CO[C@H](C2CC2)C1 ZINC000623754856 565529112 /nfs/dbraw/zinc/52/91/12/565529112.db2.gz UVFIPFLPCUQWAV-KCTSRDHCSA-N 1 0 397.313 2.620 20 0 GFADRO C[C@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH2+][C@@H]1CCOC[C@H]1O ZINC000623766233 565529157 /nfs/dbraw/zinc/52/91/57/565529157.db2.gz CJIAVSUBWWWOLQ-GAJTVXKRSA-N 1 0 380.794 2.815 20 0 GFADRO Cc1cc(C[NH2+]C[C@H]2CN(Cc3ccncc3)CCO2)ncc1Br ZINC000623783403 565530079 /nfs/dbraw/zinc/53/00/79/565530079.db2.gz LKLJOMJBRXYZMV-KRWDZBQOSA-N 1 0 391.313 2.538 20 0 GFADRO C[C@H](C[NH+]1CCCCC1)NC(=O)c1cc(Br)cc2c1OCCO2 ZINC000666318292 565531153 /nfs/dbraw/zinc/53/11/53/565531153.db2.gz YVWBGYPQEUNSOA-GFCCVEGCSA-N 1 0 383.286 2.825 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+]Cc2ccccc2CC(F)(F)F)c(F)c1 ZINC000623821851 565532066 /nfs/dbraw/zinc/53/20/66/565532066.db2.gz IXTDNNDPNCGGLH-UHFFFAOYSA-N 1 0 376.375 2.868 20 0 GFADRO COc1cc(CNC(=O)N[C@H](C)C[N@H+](C)C(C)C)c(Br)cc1O ZINC000645511015 565532844 /nfs/dbraw/zinc/53/28/44/565532844.db2.gz JIVSSNOJISJVFB-LLVKDONJSA-N 1 0 388.306 2.691 20 0 GFADRO Cc1cc(Br)cn2c(C[NH2+][C@H]3CCN(C4CCC4)C3=O)cnc12 ZINC000623842280 565532804 /nfs/dbraw/zinc/53/28/04/565532804.db2.gz JUDSFDHULLQHEK-HNNXBMFYSA-N 1 0 377.286 2.648 20 0 GFADRO Cc1c(Br)cc(C[NH2+]CCN2CC[C@H](O)C2)cc1Br ZINC000623837720 565532876 /nfs/dbraw/zinc/53/28/76/565532876.db2.gz QGFXRWBOUGVBLR-LBPRGKRZSA-N 1 0 392.135 2.676 20 0 GFADRO CC[NH+]1CCN(CCCNC(=O)c2c(Cl)cccc2Br)CC1 ZINC000666348132 565532820 /nfs/dbraw/zinc/53/28/20/565532820.db2.gz SPFGLBLJTHLCKZ-UHFFFAOYSA-N 1 0 388.737 2.860 20 0 GFADRO Cc1ccc(Br)cc1[C@@H](C)[NH2+][C@H]1CCN(c2cnn(C)c2)C1=O ZINC000623915845 565534941 /nfs/dbraw/zinc/53/49/41/565534941.db2.gz UUTARFMWCZENLW-WBMJQRKESA-N 1 0 377.286 2.947 20 0 GFADRO Cc1ccc(Br)cc1[C@H](C)[NH2+]C[C@H]1CCCN1S(C)(=O)=O ZINC000623923903 565536560 /nfs/dbraw/zinc/53/65/60/565536560.db2.gz NXEXAKOKEKJADH-GXTWGEPZSA-N 1 0 375.332 2.832 20 0 GFADRO C[NH+](C)C[C@@H]1CCCN1S(=O)(=O)c1cc(Cl)ccc1OC(F)(F)F ZINC000645604426 565543473 /nfs/dbraw/zinc/54/34/73/565543473.db2.gz NOGRRHIRYNEQIE-NSHDSACASA-N 1 0 386.823 2.953 20 0 GFADRO Cc1cc(Br)c(CNC(=O)NCCN2C[C@@H](C)OC[C@@H]2C)s1 ZINC000666637959 565545540 /nfs/dbraw/zinc/54/55/40/565545540.db2.gz PERYBILZWXPUOK-WDEREUQCSA-N 1 0 390.347 2.727 20 0 GFADRO CC(C)Sc1ccc(Cl)cc1NC(=O)C(=O)N1CC[C@@H]2C[N@H+](C)C[C@H]21 ZINC000645618441 565545526 /nfs/dbraw/zinc/54/55/26/565545526.db2.gz KRLYJIXOZCHQJH-IUODEOHRSA-N 1 0 381.929 2.942 20 0 GFADRO O=C(NCCCC[NH+]1CCOCC1)[C@H]1[C@@H]2c3cccc(Br)c3C[C@H]12 ZINC000624176201 565546294 /nfs/dbraw/zinc/54/62/94/565546294.db2.gz GEIUMHAUGDSOSC-CGTJXYLNSA-N 1 0 393.325 2.563 20 0 GFADRO COc1ncc(Br)cc1CNC(=O)NCCC[N@H+](C)CC(C)C ZINC000624293129 565550194 /nfs/dbraw/zinc/55/01/94/565550194.db2.gz DAUQEQBWBYWMSG-UHFFFAOYSA-N 1 0 387.322 2.630 20 0 GFADRO C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N[C@@H](C)C1CC[NH+](C)CC1 ZINC000624270700 565550202 /nfs/dbraw/zinc/55/02/02/565550202.db2.gz DTWTZMHZXLLYKW-NWDGAFQWSA-N 1 0 386.323 2.958 20 0 GFADRO O[C@H]1CCN(CCN[C@H](c2ccc(Br)o2)c2ccc(F)cc2)C1 ZINC000624338696 565550825 /nfs/dbraw/zinc/55/08/25/565550825.db2.gz ATJPFMSUUMKGTL-YOEHRIQHSA-N 1 0 383.261 2.927 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CN(S(=O)(=O)c2cccc(Sc3ccccc3)c2)CCO1 ZINC000624358765 565552017 /nfs/dbraw/zinc/55/20/17/565552017.db2.gz SWAOYYXEANMBEJ-RDTXWAMCSA-N 1 0 378.519 2.575 20 0 GFADRO Cc1cc(Br)c(F)cc1S(=O)(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000624353019 565552388 /nfs/dbraw/zinc/55/23/88/565552388.db2.gz BTHVMXWVFTZVQC-QWRGUYRKSA-N 1 0 379.295 2.563 20 0 GFADRO Cc1cc(Br)c(F)cc1S(=O)(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000624368372 565553132 /nfs/dbraw/zinc/55/31/32/565553132.db2.gz MPVABDIUYXHADI-NSHDSACASA-N 1 0 379.295 2.707 20 0 GFADRO [NH3+]C[C@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC[C@@H]1C(F)(F)F ZINC000624390088 565554678 /nfs/dbraw/zinc/55/46/78/565554678.db2.gz UVQPATBCQNDSHD-CABZTGNLSA-N 1 0 390.349 2.853 20 0 GFADRO Cc1cccc(NC(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)c1Br ZINC000666731959 565554836 /nfs/dbraw/zinc/55/48/36/565554836.db2.gz GHWCEGGTGSAIHD-CQSZACIVSA-N 1 0 382.302 2.820 20 0 GFADRO CCOC(=O)COc1c(Br)cc(C)cc1CN(C)CC1C[NH+](C)C1 ZINC000597204699 565555858 /nfs/dbraw/zinc/55/58/58/565555858.db2.gz DJMWSHGLMNUISG-UHFFFAOYSA-N 1 0 399.329 2.693 20 0 GFADRO C[C@H]1CC[C@@H](NS(=O)(=O)Cc2cc(Cl)ccc2Br)C[NH2+]1 ZINC000624404037 565556070 /nfs/dbraw/zinc/55/60/70/565556070.db2.gz GLRNAQLWJNXGFN-JOYOIKCWSA-N 1 0 381.723 2.662 20 0 GFADRO C[C@]12C[NH2+]C[C@@]1(C)CN(S(=O)(=O)c1ccc(Cl)cc1Br)C2 ZINC000624412421 565556577 /nfs/dbraw/zinc/55/65/77/565556577.db2.gz ZNMSAOLRTORSFJ-OKILXGFUSA-N 1 0 393.734 2.723 20 0 GFADRO CC[NH+]1CCC(N2CCCN(S(=O)(=O)c3cc(C)c(C)s3)CC2)CC1 ZINC000645774768 565560677 /nfs/dbraw/zinc/56/06/77/565560677.db2.gz BQFXDAXSAGPTIO-UHFFFAOYSA-N 1 0 385.599 2.546 20 0 GFADRO CS[C@@H]1CN(C(=O)c2nn(C(C)(C)C)cc2Br)C[C@H]1[NH+](C)C ZINC000597446742 565561065 /nfs/dbraw/zinc/56/10/65/565561065.db2.gz QXLNAGQRQXHYNZ-VXGBXAGGSA-N 1 0 389.363 2.518 20 0 GFADRO COc1cc(Br)c(NC(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)cc1OC ZINC000666919596 565562613 /nfs/dbraw/zinc/56/26/13/565562613.db2.gz KJXBGAGMJKFNTA-GWCFXTLKSA-N 1 0 384.274 2.682 20 0 GFADRO O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)N1CCc2ccc(Br)cc21 ZINC000666973071 565564692 /nfs/dbraw/zinc/56/46/92/565564692.db2.gz OLNYSZBVVBDSJE-INIZCTEOSA-N 1 0 394.313 2.775 20 0 GFADRO C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)c1cccc(F)c1I ZINC000597698119 565570888 /nfs/dbraw/zinc/57/08/88/565570888.db2.gz GCCYNOHKUPVBOZ-JOYOIKCWSA-N 1 0 376.213 2.595 20 0 GFADRO CN1CCOC[C@H]1CNC(=O)N1CCC[C@H]1c1ccccc1Br ZINC000624735671 565573179 /nfs/dbraw/zinc/57/31/79/565573179.db2.gz DJBKLXLSBRQVQQ-CJNGLKHVSA-N 1 0 382.302 2.626 20 0 GFADRO CCCN(Cc1ccccc1Br)C(=O)NC[C@H]1COCCN1C ZINC000624740302 565573204 /nfs/dbraw/zinc/57/32/04/565573204.db2.gz RFZLTBRIXZZYFL-HNNXBMFYSA-N 1 0 384.318 2.701 20 0 GFADRO CN1CCOC[C@H]1CNC(=O)N1CCC[C@@H]1c1ccccc1Br ZINC000624735672 565573840 /nfs/dbraw/zinc/57/38/40/565573840.db2.gz DJBKLXLSBRQVQQ-CZUORRHYSA-N 1 0 382.302 2.626 20 0 GFADRO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)Nc1nc(SCc2ccccc2)ns1 ZINC000667218241 565577986 /nfs/dbraw/zinc/57/79/86/565577986.db2.gz HWTAILKGIZDOPF-STQMWFEESA-N 1 0 381.502 2.994 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(I)c(O)c1 ZINC000597857301 565578195 /nfs/dbraw/zinc/57/81/95/565578195.db2.gz CUWXTTVLCROJNX-LLVKDONJSA-N 1 0 388.249 2.599 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)c(NC(=O)NC/C=C/C[NH3+])c1C ZINC000667287858 565580469 /nfs/dbraw/zinc/58/04/69/565580469.db2.gz FJOJGHDBLXVJJU-ONEGZZNKSA-N 1 0 378.274 2.888 20 0 GFADRO COC(=O)c1cc(Br)cc(C(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)c1 ZINC000597923713 565581445 /nfs/dbraw/zinc/58/14/45/565581445.db2.gz OSIDNHBWRFIVAZ-CQSZACIVSA-N 1 0 383.286 2.838 20 0 GFADRO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)Nc1cc(Br)c(F)cc1Cl ZINC000667338245 565581523 /nfs/dbraw/zinc/58/15/23/565581523.db2.gz UNTVEWVHRDAXFO-MRVPVSSYSA-N 1 0 394.672 2.670 20 0 GFADRO C[C@H]1CC2(C[N@@H+]1Cc1cc(=O)n3cc(Br)ccc3n1)CCOCC2 ZINC000646098522 565586210 /nfs/dbraw/zinc/58/62/10/565586210.db2.gz FLMJDKMCRXAJBZ-ZDUSSCGKSA-N 1 0 392.297 2.848 20 0 GFADRO O=C(Nc1ccnn1Cc1ccccc1Br)N[C@H]1CCC[NH2+]CC1 ZINC000667430888 565586514 /nfs/dbraw/zinc/58/65/14/565586514.db2.gz ZUISMKUVHRSUHU-AWEZNQCLSA-N 1 0 392.301 2.958 20 0 GFADRO O=C(C[C@H]1CC(=O)N1)N(CC[NH+]1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC000667430424 565586672 /nfs/dbraw/zinc/58/66/72/565586672.db2.gz NTVFPPVCGHRLTD-CQSZACIVSA-N 1 0 384.307 2.696 20 0 GFADRO CC[NH+](CC)CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[C@H]1CC(=O)N1 ZINC000667430223 565586719 /nfs/dbraw/zinc/58/67/19/565586719.db2.gz HYKZBLRQTXOTBN-CQSZACIVSA-N 1 0 386.323 2.942 20 0 GFADRO CSCC[C@@H](NC(=O)c1ccccc1Cl)C(=O)NCC[C@@H](C)[NH+](C)C ZINC000597997570 565587172 /nfs/dbraw/zinc/58/71/72/565587172.db2.gz NIPFKBSPICRBHM-CZUORRHYSA-N 1 0 385.961 2.648 20 0 GFADRO C[C@@H](NC(=O)COCC[NH3+])c1nc(-c2ccc(Br)cc2)cs1 ZINC000646245855 565591888 /nfs/dbraw/zinc/59/18/88/565591888.db2.gz LAFBZZBEXFFDSB-SNVBAGLBSA-N 1 0 384.299 2.725 20 0 GFADRO O=C(NCCc1cc(Cl)ccc1Br)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000646257393 565592684 /nfs/dbraw/zinc/59/26/84/565592684.db2.gz PQLDMFPALBBMDY-LLVKDONJSA-N 1 0 397.704 2.875 20 0 GFADRO CCOc1c(Cl)cc(NC(=O)C(=O)N2CC[C@H]([NH3+])[C@H](CC)C2)cc1Cl ZINC000667546588 565593601 /nfs/dbraw/zinc/59/36/01/565593601.db2.gz MRNKCOAEORDEOJ-YGRLFVJLSA-N 1 0 388.295 2.916 20 0 GFADRO O=C(Nc1cc(Cl)c(Cl)cc1Cl)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000667538383 565593730 /nfs/dbraw/zinc/59/37/30/565593730.db2.gz CQQCUXIOVBESBS-OQPBUACISA-N 1 0 376.671 2.796 20 0 GFADRO CC[C@@H]1CN(C(=O)C(=O)Nc2cc(Cl)cc(Br)c2)CC[C@@H]1[NH3+] ZINC000667548461 565594567 /nfs/dbraw/zinc/59/45/67/565594567.db2.gz NSXJYJWZQPUQOK-RNCFNFMXSA-N 1 0 388.693 2.627 20 0 GFADRO CC[C@H]1CN(C(=O)C(=O)Nc2c(C)cc(C)cc2Br)CC[C@@H]1[NH3+] ZINC000667548723 565594882 /nfs/dbraw/zinc/59/48/82/565594882.db2.gz SXVICKHCXVKXKW-JSGCOSHPSA-N 1 0 382.302 2.590 20 0 GFADRO COc1ccc(Br)c(C(=O)N2CCC([N@@H+]3CCOC[C@H]3C)CC2)c1 ZINC000646320187 565596298 /nfs/dbraw/zinc/59/62/98/565596298.db2.gz WYXARAXPKNLFNN-CYBMUJFWSA-N 1 0 397.313 2.783 20 0 GFADRO COC(=O)[C@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccccc1Br ZINC000598185936 565598757 /nfs/dbraw/zinc/59/87/57/565598757.db2.gz QRIUPNKIMLXGNY-SLEUVZQESA-N 1 0 383.286 2.510 20 0 GFADRO CCC(C)(C)[NH2+][C@@H](C)C(=O)N[C@@H](C(=O)OC)c1ccccc1Br ZINC000598187837 565600018 /nfs/dbraw/zinc/60/00/18/565600018.db2.gz WPTLPSODXSXTJR-SMDDNHRTSA-N 1 0 385.302 2.946 20 0 GFADRO [NH3+]C[C@@H]1CC[C@H](NC(=O)C(=O)Nc2ccccc2SCC(F)(F)F)C1 ZINC000667682085 565600430 /nfs/dbraw/zinc/60/04/30/565600430.db2.gz CKCTVUJMUJBRAG-MNOVXSKESA-N 1 0 375.416 2.523 20 0 GFADRO C[NH+]1CCC(CCNC(=O)c2cc(Br)cc3c2OCCO3)CC1 ZINC000667771863 565604780 /nfs/dbraw/zinc/60/47/80/565604780.db2.gz NXLRZDRDFDYQAY-UHFFFAOYSA-N 1 0 383.286 2.682 20 0 GFADRO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1cnn(-c2ccc(Br)cc2)c1 ZINC000646474659 565604861 /nfs/dbraw/zinc/60/48/61/565604861.db2.gz YYFZGCQTJVKILK-WBMJQRKESA-N 1 0 377.286 2.799 20 0 GFADRO Brc1ccc(CN2CC[NH+](CCOC3CCOCC3)CC2)cc1 ZINC000625222508 565608287 /nfs/dbraw/zinc/60/82/87/565608287.db2.gz FMUHUIIYZYSCCD-UHFFFAOYSA-N 1 0 383.330 2.762 20 0 GFADRO [NH3+]CC[C@@H](NC(=O)NCCCc1cccc(Br)c1)C(F)(F)F ZINC000667866370 565609387 /nfs/dbraw/zinc/60/93/87/565609387.db2.gz XBMCMPHYAQQEMW-GFCCVEGCSA-N 1 0 382.224 2.961 20 0 GFADRO O[C@@H](C[NH2+]C1(c2ccc(Br)cc2)CCOCC1)CC1(O)CCC1 ZINC000625232028 565609588 /nfs/dbraw/zinc/60/95/88/565609588.db2.gz HSKZLOLCPBTEHW-MRXNPFEDSA-N 1 0 384.314 2.710 20 0 GFADRO C[NH2+]C[C@H]1CCN(C(=O)[C@@H](c2ccc(Br)cc2)N2CCCC2)C1 ZINC000646709143 565614534 /nfs/dbraw/zinc/61/45/34/565614534.db2.gz SBIYVKXYVIXHFH-RHSMWYFYSA-N 1 0 380.330 2.654 20 0 GFADRO C[NH+](C)CCCCC(=O)Nc1nc2cc(I)ccc2[nH]1 ZINC000598425008 565616190 /nfs/dbraw/zinc/61/61/90/565616190.db2.gz TUMGYTWROASUKR-UHFFFAOYSA-N 1 0 386.237 2.838 20 0 GFADRO CCCN(C(=O)C(=O)Nc1ccc(C)cc1Br)[C@H]1CC[N@H+](C)C1 ZINC000646768214 565617506 /nfs/dbraw/zinc/61/75/06/565617506.db2.gz PTHAXKIETOHASQ-ZDUSSCGKSA-N 1 0 382.302 2.639 20 0 GFADRO Cn1nc2cc(Br)ccc2c1C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000646754917 565617704 /nfs/dbraw/zinc/61/77/04/565617704.db2.gz SGDMNMFPRVDBEG-HNNXBMFYSA-N 1 0 379.302 2.973 20 0 GFADRO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)CCCc1cccc(Br)c1 ZINC000668041782 565623305 /nfs/dbraw/zinc/62/33/05/565623305.db2.gz ZWVLKGVFGOWLFQ-GJZGRUSLSA-N 1 0 383.330 2.685 20 0 GFADRO Cc1c(Br)c2ccccc2n1CC(=O)N1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000646917891 565625886 /nfs/dbraw/zinc/62/58/86/565625886.db2.gz JLNYGBROTIEWGW-XJKSGUPXSA-N 1 0 376.298 2.875 20 0 GFADRO COc1ccc(C[C@@H](CO)C[NH2+]Cc2c(F)cncc2Br)cc1O ZINC000668165400 565631312 /nfs/dbraw/zinc/63/13/12/565631312.db2.gz WMBXAYIZXWCOGR-GFCCVEGCSA-N 1 0 399.260 2.638 20 0 GFADRO CC1(C)COCCN1CCNC(=O)c1c(Cl)cccc1Br ZINC000668169121 565631444 /nfs/dbraw/zinc/63/14/44/565631444.db2.gz JKJVKIFGIAGHTO-UHFFFAOYSA-N 1 0 375.694 2.943 20 0 GFADRO CC[C@H]1CN(C(=O)C2CCN(C(=O)c3ccc(Cl)s3)CC2)CC[C@H]1[NH3+] ZINC000647009307 565632392 /nfs/dbraw/zinc/63/23/92/565632392.db2.gz AVTPTMGUHBJQEK-GXTWGEPZSA-N 1 0 383.945 2.840 20 0 GFADRO CC[C@@H]1CN(C(=O)c2cn(-c3ccc(Br)cc3)cn2)CC[C@H]1[NH3+] ZINC000647013980 565633251 /nfs/dbraw/zinc/63/32/51/565633251.db2.gz RQBAVFLSXUGBRB-IUODEOHRSA-N 1 0 377.286 2.834 20 0 GFADRO COC(=O)[C@H](NC(=O)CC[C@H]1CCC[NH2+]C1)c1ccccc1Br ZINC000598669243 565633532 /nfs/dbraw/zinc/63/35/32/565633532.db2.gz XVQXPKHTNMHBDS-MLGOLLRUSA-N 1 0 383.286 2.559 20 0 GFADRO [NH3+][C@@]12CCC[C@@H]1CN(C(=O)c1ccc(I)cc1Cl)C2 ZINC000598669911 565633992 /nfs/dbraw/zinc/63/39/92/565633992.db2.gz NPORTGJOYBMUJL-YMTOWFKASA-N 1 0 390.652 2.898 20 0 GFADRO O=C(N[C@@H]1CC12CC[NH2+]CC2)[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000647055790 565634443 /nfs/dbraw/zinc/63/44/43/565634443.db2.gz HBGNKMJYCBXBPF-IUODEOHRSA-N 1 0 382.291 2.605 20 0 GFADRO O=C(N[C@@H]1CC12CC[NH2+]CC2)[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000647055791 565634736 /nfs/dbraw/zinc/63/47/36/565634736.db2.gz HBGNKMJYCBXBPF-SWLSCSKDSA-N 1 0 382.291 2.605 20 0 GFADRO C[C@H](CC(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1)n1cc(Br)cn1 ZINC000647089510 565636992 /nfs/dbraw/zinc/63/69/92/565636992.db2.gz GFMLNWPVOLEFQV-XFBWCDHKSA-N 1 0 395.276 2.689 20 0 GFADRO CS(=O)(=O)CC1(C[NH2+]Cc2cc(OC(F)F)ccc2Br)CC1 ZINC000647189074 565644051 /nfs/dbraw/zinc/64/40/51/565644051.db2.gz ADRKKVLQHFSVNS-UHFFFAOYSA-N 1 0 398.269 2.965 20 0 GFADRO CCN(C(=O)C(=O)N[C@@H](C)c1cc(F)c(Cl)cc1Cl)[C@@H]1CC[N@H+](C)C1 ZINC000668370535 565644195 /nfs/dbraw/zinc/64/41/95/565644195.db2.gz ZIOSFGIDTSKLQW-WDEREUQCSA-N 1 0 390.286 2.862 20 0 GFADRO O=C(c1cc(Br)cc2[nH]c(=O)[nH]c21)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000668441190 565646532 /nfs/dbraw/zinc/64/65/32/565646532.db2.gz FRWVKLRYKCKLLW-GFCCVEGCSA-N 1 0 393.285 2.731 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCCN(S(=O)(=O)Cc2ccc(Br)cc2Cl)C1 ZINC000647222782 565646960 /nfs/dbraw/zinc/64/69/60/565646960.db2.gz GBPSZDCHOCLIPV-QWRGUYRKSA-N 1 0 395.750 2.992 20 0 GFADRO O=S(=O)(c1csc(-c2ccc(Cl)cc2)n1)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000647263496 565650663 /nfs/dbraw/zinc/65/06/63/565650663.db2.gz KAGIZWPVDSIXGW-FZMZJTMJSA-N 1 0 383.926 2.836 20 0 GFADRO CO[C@@H]1CS(=O)(=O)C[C@H]1[NH2+][C@@H](C)CCCOc1ccc(Cl)c(C)c1 ZINC000668507560 565651250 /nfs/dbraw/zinc/65/12/50/565651250.db2.gz PAESJUCZUAKKQO-IAOVAPTHSA-N 1 0 375.918 2.598 20 0 GFADRO CC[C@@H]1CN(S(=O)(=O)c2cc(C)c(Br)cc2F)CC[C@@H]1[NH3+] ZINC000647270362 565651616 /nfs/dbraw/zinc/65/16/16/565651616.db2.gz XTZKZUKUCYMCMS-MFKMUULPSA-N 1 0 379.295 2.645 20 0 GFADRO CC[C@@H]1CN(S(=O)(=O)Cc2ccc(Br)cc2Cl)CC[C@H]1[NH3+] ZINC000647270115 565651961 /nfs/dbraw/zinc/65/19/61/565651961.db2.gz NPQBKJJGURKDPS-QMTHXVAHSA-N 1 0 395.750 2.992 20 0 GFADRO CCOc1c(Br)cc(CN2CC[NH+]([C@@H]3CCOC3)CC2)cc1OC ZINC000668537101 565652275 /nfs/dbraw/zinc/65/22/75/565652275.db2.gz IVXHEZPICHGDFW-OAHLLOKOSA-N 1 0 399.329 2.763 20 0 GFADRO COC(=O)CCNC(=O)CC[NH2+]Cc1cc(Cl)c(C)cc1Br ZINC000599004693 565653041 /nfs/dbraw/zinc/65/30/41/565653041.db2.gz NTPVWHCGEJPGNU-UHFFFAOYSA-N 1 0 391.693 2.570 20 0 GFADRO O=S(=O)(Cc1ccc(Br)cc1Cl)N[C@@H]1CCC[NH2+]CC1 ZINC000647285813 565653952 /nfs/dbraw/zinc/65/39/52/565653952.db2.gz SPQNYFUPDGSXHE-GFCCVEGCSA-N 1 0 381.723 2.664 20 0 GFADRO CCOCCOc1ccc(Br)cc1C[N@H+](C)C[C@H]1COCCO1 ZINC000668543774 565654265 /nfs/dbraw/zinc/65/42/65/565654265.db2.gz XUUYTFPMCMQGEE-INIZCTEOSA-N 1 0 388.302 2.712 20 0 GFADRO Cc1cc(S(=O)(=O)NCc2ccc3c(c2)C[NH2+]C3)c(F)cc1Br ZINC000647286693 565654595 /nfs/dbraw/zinc/65/45/95/565654595.db2.gz LWJZXZGEHRFWOR-UHFFFAOYSA-N 1 0 399.285 2.978 20 0 GFADRO O=S(=O)(c1sccc1Br)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647306882 565654926 /nfs/dbraw/zinc/65/49/26/565654926.db2.gz LOUQCJLHOFFGST-NWDGAFQWSA-N 1 0 393.372 2.911 20 0 GFADRO O=S(=O)(c1sccc1Br)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647306883 565655012 /nfs/dbraw/zinc/65/50/12/565655012.db2.gz LOUQCJLHOFFGST-RYUDHWBXSA-N 1 0 393.372 2.911 20 0 GFADRO CS(=O)(=O)N1CCC([NH2+][C@H]2CCc3[nH]c4ccc(Cl)cc4c3C2)CC1 ZINC000647321632 565656412 /nfs/dbraw/zinc/65/64/12/565656412.db2.gz BNNLRVRXVCYGOD-AWEZNQCLSA-N 1 0 381.929 2.692 20 0 GFADRO C[C@@H]([NH3+])C[C@H](C)NS(=O)(=O)c1ccc(Br)cc1C(F)(F)F ZINC000647335849 565657623 /nfs/dbraw/zinc/65/76/23/565657623.db2.gz XYXCKKOUNSBSOF-SFYZADRCSA-N 1 0 389.237 2.872 20 0 GFADRO Cc1cccc2cc(S(=O)(=O)N3C[C@H](C[NH3+])C4(C3)CCOCC4)sc21 ZINC000647322904 565657664 /nfs/dbraw/zinc/65/76/64/565657664.db2.gz UCMOPLVOWRKNEJ-HNNXBMFYSA-N 1 0 380.535 2.586 20 0 GFADRO O=S(=O)(c1sccc1Br)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000647323456 565657799 /nfs/dbraw/zinc/65/77/99/565657799.db2.gz OGFXQAKFZWTDLE-GHMZBOCLSA-N 1 0 379.345 2.521 20 0 GFADRO [NH3+]C[C@H]1CC[C@H](NS(=O)(=O)Cc2ccc(Br)cc2Cl)C1 ZINC000647324532 565658251 /nfs/dbraw/zinc/65/82/51/565658251.db2.gz ZFKWMGXKHIKDCX-CABZTGNLSA-N 1 0 381.723 2.649 20 0 GFADRO CC(C)C[C@@H](CNC(=O)c1cc(Br)cc2[nH]c(=O)[nH]c21)[NH+](C)C ZINC000668669546 565660340 /nfs/dbraw/zinc/66/03/40/565660340.db2.gz VZNSXBCSYUNYIZ-NSHDSACASA-N 1 0 383.290 2.737 20 0 GFADRO CC(C)N(C(=O)C[NH2+][C@@]1(CO)CCc2cc(Br)ccc2C1)C(C)C ZINC000625795466 565660694 /nfs/dbraw/zinc/66/06/94/565660694.db2.gz WTBVSZJWDFSIMM-IBGZPJMESA-N 1 0 397.357 2.904 20 0 GFADRO Cc1cc(Br)cc(CN2CCO[C@@H]([C@H](C)[NH3+])C2)c1OC(F)F ZINC000647507489 565661931 /nfs/dbraw/zinc/66/19/31/565661931.db2.gz QVCQFYRBCMPQPN-GXFFZTMASA-N 1 0 379.245 2.907 20 0 GFADRO [NH3+]CCCOCCNC(=O)Nc1ccc(C(F)(F)F)cc1Br ZINC000625872239 565663864 /nfs/dbraw/zinc/66/38/64/565663864.db2.gz PWOHSIAANKZAGI-UHFFFAOYSA-N 1 0 384.196 2.955 20 0 GFADRO C[C@@H](NC(=O)N[C@@H](C[NH3+])C(F)(F)F)c1cc(F)c(Br)cc1F ZINC000625899511 565665398 /nfs/dbraw/zinc/66/53/98/565665398.db2.gz VUEMJQRKJABYIC-FWOIEVBISA-N 1 0 390.150 2.977 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)N[C@H](c2nccs2)C(F)(F)F)CC[C@@H]1C(F)(F)F ZINC000625890526 565665432 /nfs/dbraw/zinc/66/54/32/565665432.db2.gz LQEBBKHVWVKCMS-HRDYMLBCSA-N 1 0 390.353 2.915 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)N[C@@H](c2nccs2)C(F)(F)F)CC[C@H]1C(F)(F)F ZINC000625890525 565665518 /nfs/dbraw/zinc/66/55/18/565665518.db2.gz LQEBBKHVWVKCMS-HLTSFMKQSA-N 1 0 390.353 2.915 20 0 GFADRO Cc1cc(Br)cn2c(CN3CCO[C@@H](CCC[NH+](C)C)C3)cnc12 ZINC000668785815 565666899 /nfs/dbraw/zinc/66/68/99/565666899.db2.gz YAYKUNVCJXDCJO-KRWDZBQOSA-N 1 0 395.345 2.948 20 0 GFADRO CCS(=O)(=O)NCCC[NH2+][C@H](CN(C)C)c1ccc(Cl)c(Cl)c1 ZINC000625983469 565667834 /nfs/dbraw/zinc/66/78/34/565667834.db2.gz RCJMTJKLYLAECX-OAHLLOKOSA-N 1 0 382.357 2.515 20 0 GFADRO C[C@H]1C[C@H](c2ccc(Br)cc2)C[N@@H+]1CC(=O)NC1CCOCC1 ZINC000626039885 565672745 /nfs/dbraw/zinc/67/27/45/565672745.db2.gz RGVDJTCDBRLITK-ZFWWWQNUSA-N 1 0 381.314 2.922 20 0 GFADRO Cc1cccc(CC(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)c1Br ZINC000626105463 565675576 /nfs/dbraw/zinc/67/55/76/565675576.db2.gz GYGHJBDCKYGERQ-INIZCTEOSA-N 1 0 381.314 2.670 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)c(C)c1C(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000647791787 565677014 /nfs/dbraw/zinc/67/70/14/565677014.db2.gz MXCYYJCKZYSXAH-OAHLLOKOSA-N 1 0 377.286 2.686 20 0 GFADRO O[C@H](COc1ccc(Cl)cc1Br)C[N@@H+]1CC[C@@H]2CC[C@@H](O)[C@@H]21 ZINC000626138408 565677594 /nfs/dbraw/zinc/67/75/94/565677594.db2.gz URRMVJAZEQULRT-PNEXNCLXSA-N 1 0 390.705 2.687 20 0 GFADRO CC[C@H]1CN(Cc2nc(Cc3cccc(Br)c3)no2)CC[C@H]1[NH3+] ZINC000647936416 565684431 /nfs/dbraw/zinc/68/44/31/565684431.db2.gz DGXWVWWJHPMDFV-DZGCQCFKSA-N 1 0 379.302 2.982 20 0 GFADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc(Br)cc3[nH]c(=O)[nH]c32)C1 ZINC000669344790 565686034 /nfs/dbraw/zinc/68/60/34/565686034.db2.gz ALNFDJIKBFMHAE-NSHDSACASA-N 1 0 395.301 2.835 20 0 GFADRO NC(=O)[C@H](c1ccc(Br)cc1F)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647977563 565686344 /nfs/dbraw/zinc/68/63/44/565686344.db2.gz DPMVPHUPACGOAJ-IGCXYCKISA-N 1 0 398.320 2.826 20 0 GFADRO C[NH+](C)[C@]1(CNC(=O)c2nnc(-c3c(F)cccc3F)s2)CCSC1 ZINC000669393799 565686665 /nfs/dbraw/zinc/68/66/65/565686665.db2.gz JAPRGLLIHNBMAW-INIZCTEOSA-N 1 0 384.477 2.650 20 0 GFADRO O=C(NCc1cc(Br)ccc1OC(F)F)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000669437173 565689432 /nfs/dbraw/zinc/68/94/32/565689432.db2.gz GOVNXYFPCIPNPN-SKDRFNHKSA-N 1 0 390.228 2.554 20 0 GFADRO CCOc1cc(C[NH2+]CC(C)(C)[C@@]2(O)CCOC2)cc(Br)c1O ZINC000648067765 565690106 /nfs/dbraw/zinc/69/01/06/565690106.db2.gz YMVXMNGCVBJRLP-QGZVFWFLSA-N 1 0 388.302 2.821 20 0 GFADRO C[C@H](CNC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)Oc1ccc(Br)cc1 ZINC000669506293 565691125 /nfs/dbraw/zinc/69/11/25/565691125.db2.gz KAYCJBNVRXJQQJ-YUELXQCFSA-N 1 0 382.302 2.752 20 0 GFADRO CN1CCOC[C@H]1CNC(=O)Nc1cc(Br)cc(C(F)(F)F)c1 ZINC000626409099 565691626 /nfs/dbraw/zinc/69/16/26/565691626.db2.gz WLSMCJBWXFFVST-GFCCVEGCSA-N 1 0 396.207 2.920 20 0 GFADRO C[C@H](CNC(=O)N1CC[C@H]2CC[NH2+][C@H]2C1)Oc1ccccc1Br ZINC000669518116 565691671 /nfs/dbraw/zinc/69/16/71/565691671.db2.gz JPBDTXJROUIKQI-NFAWXSAZSA-N 1 0 382.302 2.610 20 0 GFADRO COC(=O)c1cccc(NC(=O)N[C@H]2CC[NH2+]C23CCC3)c1Br ZINC000599605673 565692320 /nfs/dbraw/zinc/69/23/20/565692320.db2.gz CUNQBACHJLGILT-LBPRGKRZSA-N 1 0 382.258 2.642 20 0 GFADRO O=C(NCCc1c[nH]c2ccc(Br)cc12)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000669557375 565692569 /nfs/dbraw/zinc/69/25/69/565692569.db2.gz RCCMDHHQEZZKRQ-BBRMVZONSA-N 1 0 391.313 2.866 20 0 GFADRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)Nc1cc(C(=O)OC)c(Br)cc1C ZINC000599603238 565692572 /nfs/dbraw/zinc/69/25/72/565692572.db2.gz CYQCRQPXIYWVOE-QWHCGFSZSA-N 1 0 384.274 2.806 20 0 GFADRO O=C(NCCC[C@H]1CCC[NH2+]1)c1cc(=O)c2cc(Br)ccc2[nH]1 ZINC000648147277 565692674 /nfs/dbraw/zinc/69/26/74/565692674.db2.gz BNCTWLGJPFVQED-GFCCVEGCSA-N 1 0 378.270 2.553 20 0 GFADRO O=C(NCCc1c[nH]c2ccc(Br)cc12)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000669557245 565692724 /nfs/dbraw/zinc/69/27/24/565692724.db2.gz ABHUFTBXADXOIK-ZIAGYGMSSA-N 1 0 391.313 2.724 20 0 GFADRO O=C(N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000669569013 565693113 /nfs/dbraw/zinc/69/31/13/565693113.db2.gz RRSPQSBBCFMCOI-XNRPHZJLSA-N 1 0 383.323 2.966 20 0 GFADRO CC[C@H](NC(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1)c1cc(F)cc(Br)c1 ZINC000669565404 565693115 /nfs/dbraw/zinc/69/31/15/565693115.db2.gz OLJOLWOVRQPGLE-NZVBXONLSA-N 1 0 388.281 2.797 20 0 GFADRO O=C(N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000669574162 565693155 /nfs/dbraw/zinc/69/31/55/565693155.db2.gz ZPDARLSKACLOAT-DUUOMRMWSA-N 1 0 382.277 2.838 20 0 GFADRO CCn1c(CNC(=O)N[C@@H]2CCC[NH2+]CC2)nc2cc(Br)ccc21 ZINC000669569841 565693433 /nfs/dbraw/zinc/69/34/33/565693433.db2.gz BVICEYRQZYBOEA-CYBMUJFWSA-N 1 0 394.317 2.760 20 0 GFADRO C[C@@H]1C[C@@H](C)N(C(=O)c2c3ccc(Br)cc3nn2C)C[C@@H]1C[NH3+] ZINC000648179766 565693460 /nfs/dbraw/zinc/69/34/60/565693460.db2.gz WOHXWLVQXXCJNT-UTUOFQBUSA-N 1 0 379.302 2.781 20 0 GFADRO CCCOC[C@@H](Cc1cccc(Br)c1)NC(=O)NC/C=C\C[NH3+] ZINC000669563504 565693626 /nfs/dbraw/zinc/69/36/26/565693626.db2.gz RMHTVADTVOCNMH-MJSXRHKHSA-N 1 0 384.318 2.601 20 0 GFADRO CCn1c(CNC(=O)NC[C@H]2CCCC[NH2+]2)nc2cc(Br)ccc21 ZINC000669569875 565693684 /nfs/dbraw/zinc/69/36/84/565693684.db2.gz OQZVIIIIHGJPQZ-CYBMUJFWSA-N 1 0 394.317 2.760 20 0 GFADRO COc1ccc(Br)cc1C1(NC(=O)c2csc(CC[NH3+])n2)CC1 ZINC000648191591 565693673 /nfs/dbraw/zinc/69/36/73/565693673.db2.gz RSQCIQYMVNDLHT-UHFFFAOYSA-N 1 0 396.310 2.835 20 0 GFADRO CC[C@@H]1CN(C(=O)N[C@@H]2COc3cc(F)c(Br)cc32)CC[C@@H]1[NH3+] ZINC000669581115 565694256 /nfs/dbraw/zinc/69/42/56/565694256.db2.gz RXQNZHAYMHIRCW-BIGNPOOSSA-N 1 0 386.265 2.791 20 0 GFADRO C[C@H](CC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)n1cc(Br)cn1 ZINC000648221000 565694425 /nfs/dbraw/zinc/69/44/25/565694425.db2.gz TTXIUDWYFGKTKK-PBHICJAKSA-N 1 0 391.313 2.987 20 0 GFADRO Cc1cc(Br)c(NC(=O)NCC[N@@H+]2CC[C@@H](O)C2)cc1Cl ZINC000626502429 565695856 /nfs/dbraw/zinc/69/58/56/565695856.db2.gz OJUPYPSNXMLIGQ-SNVBAGLBSA-N 1 0 376.682 2.599 20 0 GFADRO COCC[N@@H+]1CCC[C@H](NC(=O)c2cc3c(Br)cccc3cn2)C1 ZINC000648280290 565699910 /nfs/dbraw/zinc/69/99/10/565699910.db2.gz HSFOLRIFDNYTTB-AWEZNQCLSA-N 1 0 392.297 2.838 20 0 GFADRO CN1CCOC[C@@H]1CNC(=O)Nc1nc2c(cccc2Br)s1 ZINC000626565253 565700183 /nfs/dbraw/zinc/70/01/83/565700183.db2.gz QNOWYFHPDBRPTB-VIFPVBQESA-N 1 0 385.287 2.511 20 0 GFADRO C[C@@H]([NH2+]CC(=O)N([C@H]1CCS(=O)(=O)C1)C1CCCCC1)c1ccsc1 ZINC000669938626 565707805 /nfs/dbraw/zinc/70/78/05/565707805.db2.gz TUQFVBKEBVWCBC-PBHICJAKSA-N 1 0 384.567 2.747 20 0 GFADRO CS(=O)(=O)N1CC[C@H](C[N@@H+]2CCC[C@@H](c3nc4ccccc4s3)C2)C1 ZINC000669931222 565707872 /nfs/dbraw/zinc/70/78/72/565707872.db2.gz MSHFIIHFZPIKKT-HUUCEWRRSA-N 1 0 379.551 2.757 20 0 GFADRO C[C@H]([NH2+]CC(=O)N([C@H]1CCS(=O)(=O)C1)C1CCCCC1)c1ccsc1 ZINC000669938629 565708388 /nfs/dbraw/zinc/70/83/88/565708388.db2.gz TUQFVBKEBVWCBC-YOEHRIQHSA-N 1 0 384.567 2.747 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H](NC(=O)C(=O)Nc2cc(Cl)c(Br)cc2F)C1 ZINC000626835780 565712394 /nfs/dbraw/zinc/71/23/94/565712394.db2.gz HDWPZHIMGBTKSA-HTQZYQBOSA-N 1 0 392.656 2.566 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)CC[C@@H]1C(F)(F)F ZINC000626861100 565713304 /nfs/dbraw/zinc/71/33/04/565713304.db2.gz LXORINNKGZXNDR-PELKAZGASA-N 1 0 398.212 2.918 20 0 GFADRO C[C@@H]1CC[C@@H](NC(=O)C(=O)Nc2ccccc2SCC(F)(F)F)C[NH2+]1 ZINC000626887201 565713989 /nfs/dbraw/zinc/71/39/89/565713989.db2.gz RKRLVFANRXWWOL-GHMZBOCLSA-N 1 0 375.416 2.536 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)CC[C@H]1C(F)(F)F ZINC000626861380 565714325 /nfs/dbraw/zinc/71/43/25/565714325.db2.gz NGHAUSDHDRZKOT-WCBMZHEXSA-N 1 0 398.212 2.918 20 0 GFADRO CC[C@H](CNC(=O)NCC1([NH3+])CCOCC1)Cc1cccc(Br)c1 ZINC000626980840 565718232 /nfs/dbraw/zinc/71/82/32/565718232.db2.gz KIQAQAMLNQPGKB-AWEZNQCLSA-N 1 0 398.345 2.825 20 0 GFADRO C[C@H]1CC[C@@H](NC(=O)NCc2cnn(-c3ccc(Br)cc3)c2)C[NH2+]1 ZINC000627020441 565719873 /nfs/dbraw/zinc/71/98/73/565719873.db2.gz GMBSCSQVOIVRIV-SWLSCSKDSA-N 1 0 392.301 2.575 20 0 GFADRO CN(CCOCC[NH3+])C(=O)N[C@@H]1c2cccc(Br)c2CC1(C)C ZINC000627042422 565720623 /nfs/dbraw/zinc/72/06/23/565720623.db2.gz AZGAAPIYRBUBDC-OAHLLOKOSA-N 1 0 384.318 2.689 20 0 GFADRO [NH3+]C1(CNC(=O)NCC2(c3ccccc3Br)CCC2)CCOCC1 ZINC000627041192 565720783 /nfs/dbraw/zinc/72/07/83/565720783.db2.gz FESVKTPLWRHJEH-UHFFFAOYSA-N 1 0 396.329 2.678 20 0 GFADRO O=C(N[C@H]1CC[NH2+]C12CCC2)N1CCN(c2ccc(Br)cc2)CC1 ZINC000627127099 565722501 /nfs/dbraw/zinc/72/25/01/565722501.db2.gz SFHTYWWXUKMWEV-INIZCTEOSA-N 1 0 393.329 2.565 20 0 GFADRO Cc1cc(C(C)(C)NC(=O)NCC2([NH3+])CCOCC2)ccc1Br ZINC000627148849 565723795 /nfs/dbraw/zinc/72/37/95/565723795.db2.gz MDONINCAJPOEGK-UHFFFAOYSA-N 1 0 384.318 2.800 20 0 GFADRO C[C@H](CC(=O)NCc1ccccc1C[NH+](C)C)n1cc(Br)cn1 ZINC000648718042 565723923 /nfs/dbraw/zinc/72/39/23/565723923.db2.gz LGFLXAHPYQJFRL-CYBMUJFWSA-N 1 0 379.302 2.975 20 0 GFADRO Cn1nc2cc(Br)ccc2c1C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000648741141 565726285 /nfs/dbraw/zinc/72/62/85/565726285.db2.gz AVZLTBJXZBENBD-UHFFFAOYSA-N 1 0 377.286 2.504 20 0 GFADRO Cc1cc(Br)ccc1[C@H]1CCCN1C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627190833 565726356 /nfs/dbraw/zinc/72/63/56/565726356.db2.gz DAGZNMSFNAYPFT-GDBMZVCRSA-N 1 0 382.302 2.592 20 0 GFADRO [NH3+]CCCOCCNC(=O)N(Cc1csc(Br)c1)C1CC1 ZINC000627216310 565727077 /nfs/dbraw/zinc/72/70/77/565727077.db2.gz UGPYNHTWRHGTTH-UHFFFAOYSA-N 1 0 376.320 2.550 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]1C1CCN(C(=O)NCc2csc(C(F)(F)F)c2)CC1 ZINC000627224883 565727473 /nfs/dbraw/zinc/72/74/73/565727473.db2.gz PXUCQNZIATZBBD-OCCSQVGLSA-N 1 0 377.432 2.805 20 0 GFADRO COCC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCc3cc(Br)ccc32)C1 ZINC000648773268 565728287 /nfs/dbraw/zinc/72/82/87/565728287.db2.gz ABQDOCJFRZZZFQ-RDJZCZTQSA-N 1 0 381.314 2.706 20 0 GFADRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1c2ccc(Br)cc2nn1C ZINC000648778756 565728664 /nfs/dbraw/zinc/72/86/64/565728664.db2.gz MOLYCALOACQNPT-CYBMUJFWSA-N 1 0 379.302 2.940 20 0 GFADRO C[C@@H](CC(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1)n1cc(Br)cn1 ZINC000648806141 565731082 /nfs/dbraw/zinc/73/10/82/565731082.db2.gz YPVNLYYKAVDUTN-ZFWWWQNUSA-N 1 0 383.334 2.787 20 0 GFADRO O=C(c1cc2cc(Br)ccc2s1)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000627272450 565731696 /nfs/dbraw/zinc/73/16/96/565731696.db2.gz OQMJTSIFRGSTOD-ZIAGYGMSSA-N 1 0 395.322 2.945 20 0 GFADRO CCCN(C(=O)c1cnc2ccc(Br)cc2c1O)[C@@H]1CC[N@H+](C)C1 ZINC000648998905 565744465 /nfs/dbraw/zinc/74/44/65/565744465.db2.gz UYMOMWMVHBSTJU-CYBMUJFWSA-N 1 0 392.297 2.847 20 0 GFADRO Cc1cc(C)c(C(=O)NCCN2C[C@H]3CC[C@@H](C2)O3)c(C)c1Br ZINC000627636976 565745145 /nfs/dbraw/zinc/74/51/45/565745145.db2.gz LMCOYMCKXQVCEE-GASCZTMLSA-N 1 0 381.314 2.967 20 0 GFADRO C[NH+](C)[C@@H]1[C@H]2CN(C(=O)CSc3nnc(-c4ccc(Cl)cc4)o3)C[C@H]21 ZINC000627645154 565745227 /nfs/dbraw/zinc/74/52/27/565745227.db2.gz RBQSDXVBJQMOAU-NHAGDIPZSA-N 1 0 378.885 2.501 20 0 GFADRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl ZINC000649075569 565746274 /nfs/dbraw/zinc/74/62/74/565746274.db2.gz GKYKBHZRRZRORU-KCPJHIHWSA-N 1 0 384.307 2.675 20 0 GFADRO CC[NH+](CC)[C@@H](CNC(=O)C(=O)N1CCSCC[C@H]1C)c1ccsc1 ZINC000670969522 565748661 /nfs/dbraw/zinc/74/86/61/565748661.db2.gz DQQKNMVESNTKFD-ZBFHGGJFSA-N 1 0 383.583 2.601 20 0 GFADRO O=C(Cc1ccc(F)cc1Br)N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000627740854 565749668 /nfs/dbraw/zinc/74/96/68/565749668.db2.gz IFPKDWPQAFUZKI-UHFFFAOYSA-N 1 0 399.304 2.844 20 0 GFADRO C[NH2+]C1(CNC(=O)c2cc(Cl)ccc2I)CCC1 ZINC000600824243 565751278 /nfs/dbraw/zinc/75/12/78/565751278.db2.gz MAXQEQGGXYRPOJ-UHFFFAOYSA-N 1 0 378.641 2.817 20 0 GFADRO COc1cc(CNC(=O)CCN(C)c2cc[nH+]cc2)c(Br)cc1O ZINC000649195902 565752979 /nfs/dbraw/zinc/75/29/79/565752979.db2.gz YEQIWJDARUZYGW-UHFFFAOYSA-N 1 0 394.269 2.701 20 0 GFADRO CN(CC[NH+](C)C)c1ccc(Br)cc1NC(=O)COCC(F)F ZINC000627837299 565755649 /nfs/dbraw/zinc/75/56/49/565755649.db2.gz MTTNKUHJZRCWTA-UHFFFAOYSA-N 1 0 394.260 2.667 20 0 GFADRO Cc1cc(NC(=O)C(=O)NC[C@@H]2CCCC[N@@H+](C)C2)ccc1Br ZINC000627829076 565755953 /nfs/dbraw/zinc/75/59/53/565755953.db2.gz UQLGYEIMINAAIW-ZDUSSCGKSA-N 1 0 382.302 2.544 20 0 GFADRO CN(CC(=O)N1CC[NH2+]C[C@@H]1c1cccc(Cl)c1)c1ccc(Cl)cn1 ZINC000649360438 565759307 /nfs/dbraw/zinc/75/93/07/565759307.db2.gz WBSPCMDMUXQKKD-MRXNPFEDSA-N 1 0 379.291 2.998 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)[C@H]1CCCC[N@H+]1C ZINC000600978987 565761813 /nfs/dbraw/zinc/76/18/13/565761813.db2.gz BARFZYOOSDSZRB-OAHLLOKOSA-N 1 0 382.302 2.687 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)C(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000627905498 565761890 /nfs/dbraw/zinc/76/18/90/565761890.db2.gz MMVFMVWZZXLJJX-HNNXBMFYSA-N 1 0 394.313 2.829 20 0 GFADRO CO[C@@H](CC(=O)Nc1cc(Cl)ccc1N1CC[NH+](C)CC1)C(F)(F)F ZINC000649514659 565764215 /nfs/dbraw/zinc/76/42/15/565764215.db2.gz UHSOYFNMKXNZDQ-AWEZNQCLSA-N 1 0 379.810 2.998 20 0 GFADRO Brc1ccccc1Cc1nnn(Cc2ccc3c(c2)C[NH2+]CC3)n1 ZINC000649545268 565766027 /nfs/dbraw/zinc/76/60/27/565766027.db2.gz XEQXYRVVFICNTD-UHFFFAOYSA-N 1 0 384.281 2.720 20 0 GFADRO FC(F)(F)[C@H](C[NH2+]Cc1ccc(I)cc1)n1cncn1 ZINC000601144133 565768094 /nfs/dbraw/zinc/76/80/94/565768094.db2.gz PLQIFUALIRNFSN-NSHDSACASA-N 1 0 396.154 2.776 20 0 GFADRO COc1ccc(C[NH2+]CCOCC(=O)OC(C)(C)C)c(Br)c1O ZINC000601145454 565768139 /nfs/dbraw/zinc/76/81/39/565768139.db2.gz WIWRPTBKFHBVBG-UHFFFAOYSA-N 1 0 390.274 2.611 20 0 GFADRO C[NH+](C)CCOc1ccc(CCNC(=O)c2nscc2Br)cc1 ZINC000649690986 565774003 /nfs/dbraw/zinc/77/40/03/565774003.db2.gz DIAKPIJVVLRUNR-UHFFFAOYSA-N 1 0 398.326 2.819 20 0 GFADRO CCC[C@@H](C)[C@H](CO)[NH2+]CC(=O)N(C)Cc1cc(Br)cs1 ZINC000649690900 565774029 /nfs/dbraw/zinc/77/40/29/565774029.db2.gz YZDXRLRSTKCZIE-RISCZKNCSA-N 1 0 377.348 2.856 20 0 GFADRO CCC[N@H+](CCO)Cc1cc(Cl)cc(Cl)c1OCCN1CCOCC1 ZINC000628119913 565774163 /nfs/dbraw/zinc/77/41/63/565774163.db2.gz PSMZQMMGFLGAAR-UHFFFAOYSA-N 1 0 391.339 2.909 20 0 GFADRO Cc1ccc(Br)cc1CC(=O)N1CCC([NH+]2CCOCC2)CC1 ZINC000628122072 565774282 /nfs/dbraw/zinc/77/42/82/565774282.db2.gz IWISLNPMNZSRPD-UHFFFAOYSA-N 1 0 381.314 2.623 20 0 GFADRO C[C@H](C(=O)N1CCC([NH+]2CCOCC2)CC1)c1ccc(Br)cc1 ZINC000628123904 565774447 /nfs/dbraw/zinc/77/44/47/565774447.db2.gz KETKBJAYWWDETI-AWEZNQCLSA-N 1 0 381.314 2.876 20 0 GFADRO O=S(=O)(NC1CC[NH+](Cc2cccc3n[nH]cc32)CC1)c1cccs1 ZINC000628126761 565774703 /nfs/dbraw/zinc/77/47/03/565774703.db2.gz GSOQGJDLDUAOJI-UHFFFAOYSA-N 1 0 376.507 2.567 20 0 GFADRO O[C@@H](COc1ccc(Cl)c(Cl)c1)CN1CCO[C@@]2(CCCOC2)C1 ZINC000671696363 565781608 /nfs/dbraw/zinc/78/16/08/565781608.db2.gz PADBQGLFQMMEEV-DYVFJYSZSA-N 1 0 376.280 2.615 20 0 GFADRO Cc1cc(CN(C)[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)ncc1Br ZINC000628279172 565782062 /nfs/dbraw/zinc/78/20/62/565782062.db2.gz YEFKCINRTRMGQS-KRWDZBQOSA-N 1 0 381.362 2.753 20 0 GFADRO COCC[N@@H+]1CCN(CC(=O)Nc2ccc(C)cc2Br)C(C)(C)C1 ZINC000649849687 565783079 /nfs/dbraw/zinc/78/30/79/565783079.db2.gz GJNIATWTMFWBFF-UHFFFAOYSA-N 1 0 398.345 2.739 20 0 GFADRO C[C@@H]1C[C@@H](N2CCOCC2)C[N@@H+]1C[C@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000671719618 565783801 /nfs/dbraw/zinc/78/38/01/565783801.db2.gz LGTOUOYTSPUVQI-KFWWJZLASA-N 1 0 389.323 2.528 20 0 GFADRO Cc1ccc(I)cc1NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC000601460164 565785423 /nfs/dbraw/zinc/78/54/23/565785423.db2.gz OOCPEEYXYISMSV-UHFFFAOYSA-N 1 0 398.248 2.610 20 0 GFADRO NC(=O)c1cn(C2CC[NH+](CCCc3c(Cl)cccc3Cl)CC2)nn1 ZINC000628426128 565789160 /nfs/dbraw/zinc/78/91/60/565789160.db2.gz KVLHGLKWOADSHM-UHFFFAOYSA-N 1 0 382.295 2.954 20 0 GFADRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)CNC(=O)c1ccc(Cl)c(Cl)c1 ZINC000671871030 565790017 /nfs/dbraw/zinc/79/00/17/565790017.db2.gz JWUWDTDOLAZTRJ-TZMCWYRMSA-N 1 0 384.307 2.808 20 0 GFADRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N(C)Cc1c(Cl)cccc1Cl ZINC000672204105 565798380 /nfs/dbraw/zinc/79/83/80/565798380.db2.gz PGXZPNJTUUJIIO-CYBMUJFWSA-N 1 0 386.323 2.942 20 0 GFADRO CC(C)(O)C[NH+]1CCN(c2ccc(-c3ccc(Br)s3)nn2)CC1 ZINC000672203816 565798903 /nfs/dbraw/zinc/79/89/03/565798903.db2.gz MITGBIACUYMWEI-UHFFFAOYSA-N 1 0 397.342 2.861 20 0 GFADRO Cc1cc(C[NH2+]C[C@H](O)C[C@](C)(O)C2CC2)ccc1I ZINC000601966081 565810631 /nfs/dbraw/zinc/81/06/31/565810631.db2.gz PNICKMFQFCZMOA-ZBFHGGJFSA-N 1 0 389.277 2.601 20 0 GFADRO Cc1ccc(Br)c(S(=O)(=O)NCC[NH2+][C@H]2CC[C@@H]2C2CC2)c1 ZINC000672614239 565813064 /nfs/dbraw/zinc/81/30/64/565813064.db2.gz BHPASYZANRXNAZ-HIFRSBDPSA-N 1 0 387.343 2.814 20 0 GFADRO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]C[C@H](CO)c2ccc(Cl)cc2)c1 ZINC000672620367 565813550 /nfs/dbraw/zinc/81/35/50/565813550.db2.gz WFNBLAUDGACVKV-CZUORRHYSA-N 1 0 382.913 2.675 20 0 GFADRO COc1cc(C(=O)N2CCC(C)([NH+]3CCOCC3)CC2)ccc1Br ZINC000628904562 565813580 /nfs/dbraw/zinc/81/35/80/565813580.db2.gz NTEGJYUTYZMNLV-UHFFFAOYSA-N 1 0 397.313 2.785 20 0 GFADRO CN(C(=O)c1ccc2[nH]cc(I)c2c1)C1CC[NH+](C)CC1 ZINC000602026771 565816957 /nfs/dbraw/zinc/81/69/57/565816957.db2.gz NSZFDHVAGOIVKM-UHFFFAOYSA-N 1 0 397.260 2.939 20 0 GFADRO O=S(=O)(c1ccc(Cl)c(F)c1)N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000650470238 565823340 /nfs/dbraw/zinc/82/33/40/565823340.db2.gz BKSDBWUEAIUPKE-CQSZACIVSA-N 1 0 390.908 2.745 20 0 GFADRO CS(=O)(=O)C1(C(=O)Nc2ccc(SCC[NH+]3CCCC3)cc2)CCC1 ZINC000650679206 565830780 /nfs/dbraw/zinc/83/07/80/565830780.db2.gz GQTHQZIQJCRGEX-UHFFFAOYSA-N 1 0 382.551 2.780 20 0 GFADRO C[C@H]1[C@H](NC(=O)CCn2cc(Br)cn2)CC[N@@H+]1Cc1ccccc1 ZINC000673322123 565831422 /nfs/dbraw/zinc/83/14/22/565831422.db2.gz VXFPEGXCPXCOSU-WMLDXEAASA-N 1 0 391.313 2.815 20 0 GFADRO Cc1cccc2c1C[C@H]([NH2+][C@@H](C(N)=O)c1cccc(Br)c1)CO2 ZINC000629252891 565832528 /nfs/dbraw/zinc/83/25/28/565832528.db2.gz ZSBJZTSBLGCYQF-WMLDXEAASA-N 1 0 375.266 2.877 20 0 GFADRO Cc1c2cc(Br)ccc2oc1C(=O)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000673519003 565839183 /nfs/dbraw/zinc/83/91/83/565839183.db2.gz SIFLWCRXPTVBCV-ZIAGYGMSSA-N 1 0 393.281 2.785 20 0 GFADRO Cc1nc(-c2cccs2)c(CC(=O)N[C@@H]2CCC[N@H+](CCCO)C2)s1 ZINC000650983326 565841878 /nfs/dbraw/zinc/84/18/78/565841878.db2.gz HKUZDHMQOYWTQK-CQSZACIVSA-N 1 0 379.551 2.686 20 0 GFADRO O=C(C1CC1)N1CCC([NH2+]Cc2ccc(I)s2)CC1 ZINC000602427640 565847920 /nfs/dbraw/zinc/84/79/20/565847920.db2.gz HEZQHGPZEPCDGV-UHFFFAOYSA-N 1 0 390.290 2.843 20 0 GFADRO COC(=O)c1cc(C[NH+]2CCC(n3cc(Br)cn3)CC2)[nH]c1C ZINC000602471772 565850394 /nfs/dbraw/zinc/85/03/94/565850394.db2.gz IFKQSYRBFDMTSN-UHFFFAOYSA-N 1 0 381.274 2.906 20 0 GFADRO COCCOC[C@@H]1CCN(Cc2ccc(I)s2)C1 ZINC000602481731 565851060 /nfs/dbraw/zinc/85/10/60/565851060.db2.gz DPIDSEGRRNRIQJ-LLVKDONJSA-N 1 0 381.279 2.838 20 0 GFADRO Cc1cc(C(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)c(I)cc1Cl ZINC000602489653 565851303 /nfs/dbraw/zinc/85/13/03/565851303.db2.gz CNQXEDXOLHYSRZ-IUCAKERBSA-N 1 0 396.631 2.683 20 0 GFADRO COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)c1cc2cc(Br)ccc2s1 ZINC000602490005 565851533 /nfs/dbraw/zinc/85/15/33/565851533.db2.gz BQUYRVOUDDURIF-LBPRGKRZSA-N 1 0 397.294 2.641 20 0 GFADRO C[S@@](=O)C1(C(=O)Nc2cc(Cl)c(Br)cc2F)CC[NH2+]CC1 ZINC000602526306 565852272 /nfs/dbraw/zinc/85/22/72/565852272.db2.gz IYJACPHNEPZVQQ-OAQYLSRUSA-N 1 0 397.697 2.681 20 0 GFADRO C[NH+](C)Cc1ccc(-c2noc(CCn3cc(Br)cn3)n2)cc1 ZINC000673898607 565852769 /nfs/dbraw/zinc/85/27/69/565852769.db2.gz GVRUZKCGJBCSKQ-UHFFFAOYSA-N 1 0 376.258 3.000 20 0 GFADRO CC(C)(CO)[NH+]1CCN(Cc2coc(-c3ccc(Br)cc3)n2)CC1 ZINC000673895287 565852814 /nfs/dbraw/zinc/85/28/14/565852814.db2.gz KYMUGMWOWLNHIE-UHFFFAOYSA-N 1 0 394.313 2.993 20 0 GFADRO [NH3+][C@@H]1CC=C(C(=O)NCc2ccc(I)c(Cl)c2)C1 ZINC000602502136 565852961 /nfs/dbraw/zinc/85/29/61/565852961.db2.gz DLIUPLOHZYPFSX-SNVBAGLBSA-N 1 0 376.625 2.608 20 0 GFADRO CNC(=O)C1CCC([NH2+]Cc2ccc(I)s2)CC1 ZINC000602534605 565853883 /nfs/dbraw/zinc/85/38/83/565853883.db2.gz KGTSGXPWQLBCGV-UHFFFAOYSA-N 1 0 378.279 2.747 20 0 GFADRO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000651295464 565854367 /nfs/dbraw/zinc/85/43/67/565854367.db2.gz FXEJKXCCFUABGL-HUUCEWRRSA-N 1 0 379.298 2.916 20 0 GFADRO C[C@@H]1CC[C@@H](NC(=O)CCC[S@@](=O)c2ccc(Br)cc2)C[NH2+]1 ZINC000602555398 565855494 /nfs/dbraw/zinc/85/54/94/565855494.db2.gz PULWXTPPQZZLST-MZOGBMEOSA-N 1 0 387.343 2.594 20 0 GFADRO COC(=O)c1cc(C[NH2+][C@@H]2CCN(c3cccc(Br)c3)C2)on1 ZINC000602638111 565859716 /nfs/dbraw/zinc/85/97/16/565859716.db2.gz CMFHBJJKAQENJI-GFCCVEGCSA-N 1 0 380.242 2.592 20 0 GFADRO C[N@H+](CC(=O)N[C@@H](CCO)c1cc(Cl)cc(Cl)c1)[C@H]1CCSC1 ZINC000629586642 565860448 /nfs/dbraw/zinc/86/04/48/565860448.db2.gz BVYUWIFTABHVOQ-GJZGRUSLSA-N 1 0 377.337 2.970 20 0 GFADRO O=C(CC[NH2+][C@@H]1CCN(C2CCC2)C1=O)Nc1ccc(Br)cc1 ZINC000629616818 565865515 /nfs/dbraw/zinc/86/55/15/565865515.db2.gz BVIKJPAWDIAQIE-OAHLLOKOSA-N 1 0 380.286 2.521 20 0 GFADRO Cc1cc(Br)sc1S(=O)(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000651520203 565868155 /nfs/dbraw/zinc/86/81/55/565868155.db2.gz RDYNVSIAGSAENR-QWRGUYRKSA-N 1 0 379.345 2.724 20 0 GFADRO COC1CC[NH+](CCNC(=O)[C@@H](C)Oc2cccc(Cl)c2Cl)CC1 ZINC000674324285 565868379 /nfs/dbraw/zinc/86/83/79/565868379.db2.gz CERFKMIBWIABIV-GFCCVEGCSA-N 1 0 375.296 2.988 20 0 GFADRO COC1CC[NH+](CCNS(=O)(=O)Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000674333428 565868884 /nfs/dbraw/zinc/86/88/84/565868884.db2.gz VUEZWPPUADFPNX-UHFFFAOYSA-N 1 0 381.325 2.524 20 0 GFADRO Cc1cc(C(=O)N[C@@H]2CCC[N@@H+](C)C2)nn1-c1ccc(Br)cc1 ZINC000674319408 565869081 /nfs/dbraw/zinc/86/90/81/565869081.db2.gz CVSURRHZNPJJCO-CQSZACIVSA-N 1 0 377.286 2.767 20 0 GFADRO C[NH+](C)C[C@H]1CN(S(=O)(=O)Cc2ccc(Cl)cc2)c2ccccc2O1 ZINC000651601633 565877955 /nfs/dbraw/zinc/87/79/55/565877955.db2.gz KQNBTGWEWRJEER-INIZCTEOSA-N 1 0 380.897 2.999 20 0 GFADRO O[C@@H](C[N@@H+]1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1)CC1(O)CCOCC1 ZINC000630036664 565880953 /nfs/dbraw/zinc/88/09/53/565880953.db2.gz GVVKCEWUWQQSRI-HIFRSBDPSA-N 1 0 390.307 2.739 20 0 GFADRO Cc1ccc(F)c(Br)c1NC(=O)C(=O)N(C)CCCC[NH+](C)C ZINC000651684118 565885605 /nfs/dbraw/zinc/88/56/05/565885605.db2.gz QMUITBQFDLMPOZ-UHFFFAOYSA-N 1 0 388.281 2.635 20 0 GFADRO C[C@@H]1C[C@H](N2CCOCC2)CN1S(=O)(=O)Cc1cc(Cl)sc1Cl ZINC000651702554 565886379 /nfs/dbraw/zinc/88/63/79/565886379.db2.gz YFDAGCBNEHOJOY-PWSUYJOCSA-N 1 0 399.365 2.680 20 0 GFADRO COc1nc(N2CC[NH+](CCCOC(C)(C)C)CC2)ncc1Br ZINC000674909816 565886894 /nfs/dbraw/zinc/88/68/94/565886894.db2.gz TZLKSGGNCLSXBT-UHFFFAOYSA-N 1 0 387.322 2.575 20 0 GFADRO CCOC(=O)CCCCn1cc([C@H]([NH3+])c2ccc(Br)cc2)nn1 ZINC000603202986 565889968 /nfs/dbraw/zinc/88/99/68/565889968.db2.gz IEYVHFLELMBNKZ-MRXNPFEDSA-N 1 0 381.274 2.822 20 0 GFADRO C[NH+](C)C[C@@H](CNS(=O)(=O)CCOCC1CCC1)c1ccc(Cl)cc1 ZINC000651764740 565891596 /nfs/dbraw/zinc/89/15/96/565891596.db2.gz MNRRRLJODHKQJI-QGZVFWFLSA-N 1 0 388.961 2.721 20 0 GFADRO C[N@@H+]1C[C@H]2CCN(C(=O)C(=O)Nc3cc(Cl)c(Cl)c(Cl)c3)[C@H]2C1 ZINC000651818256 565896434 /nfs/dbraw/zinc/89/64/34/565896434.db2.gz OKOVOSMSENLSFY-PELKAZGASA-N 1 0 376.671 2.748 20 0 GFADRO CC(C)C[N@H+](C)CCCNC(=O)C(=O)Nc1ccc(F)c(Br)c1 ZINC000651902640 565902997 /nfs/dbraw/zinc/90/29/97/565902997.db2.gz RYUPYNKUEQFVQA-UHFFFAOYSA-N 1 0 388.281 2.621 20 0 GFADRO Cc1ccc(NC(=O)C(=O)NCCC[N@@H+](C)CC(C)C)cc1Br ZINC000651904983 565903010 /nfs/dbraw/zinc/90/30/10/565903010.db2.gz SSIYHTNMMQYYNE-UHFFFAOYSA-N 1 0 384.318 2.790 20 0 GFADRO COc1ccc(I)c(NC(=O)NCCC(C)(C)[NH3+])c1 ZINC000603430386 565904782 /nfs/dbraw/zinc/90/47/82/565904782.db2.gz HNCCJAWHXJJCHX-UHFFFAOYSA-N 1 0 377.226 2.549 20 0 GFADRO C[NH+](C)C[C@H]1CN(S(=O)(=O)c2ccc(F)cc2Cl)c2ccccc2O1 ZINC000675469400 565904860 /nfs/dbraw/zinc/90/48/60/565904860.db2.gz LEEJBQZRTVNPRT-ZDUSSCGKSA-N 1 0 384.860 2.997 20 0 GFADRO CSc1ccc(S(=O)(=O)N2C[C@H](C[NH+](C)C)Oc3ccccc32)cc1 ZINC000675470406 565904939 /nfs/dbraw/zinc/90/49/39/565904939.db2.gz SBEJEBGULLEUQW-AWEZNQCLSA-N 1 0 378.519 2.926 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+]CC[C@@]1(O)CCOC1 ZINC000651943390 565906564 /nfs/dbraw/zinc/90/65/64/565906564.db2.gz QGHSVAQAHYYNGO-QGZVFWFLSA-N 1 0 380.286 2.574 20 0 GFADRO O[C@@H]1CC[N@@H+](C2CN(Cc3cc(Br)cc(C(F)(F)F)c3)C2)C1 ZINC000651978118 565908757 /nfs/dbraw/zinc/90/87/57/565908757.db2.gz UEDLWFPEGNCOLO-CQSZACIVSA-N 1 0 379.220 2.719 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000675699738 565912585 /nfs/dbraw/zinc/91/25/85/565912585.db2.gz XMCYBXDRBQRPMG-HNNXBMFYSA-N 1 0 394.313 2.551 20 0 GFADRO O[C@@]1(CC[NH2+]Cc2cnn(-c3ccc(Br)cc3)c2)CCCOC1 ZINC000652039334 565913231 /nfs/dbraw/zinc/91/32/31/565913231.db2.gz CHWMFMRWYTUAAZ-QGZVFWFLSA-N 1 0 380.286 2.656 20 0 GFADRO CN(CCC[NH2+][C@@H]1CCCOc2cc(Br)ccc21)S(C)(=O)=O ZINC000675746196 565913307 /nfs/dbraw/zinc/91/33/07/565913307.db2.gz DOSLFJHZWYPXPW-CQSZACIVSA-N 1 0 391.331 2.534 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)NCCC1(C[NH3+])CC1 ZINC000652142882 565916518 /nfs/dbraw/zinc/91/65/18/565916518.db2.gz HCZHGFPCYIYUJR-UHFFFAOYSA-N 1 0 397.317 2.514 20 0 GFADRO C[C@H](CNC(=O)N1CCC(CC[NH3+])CC1)Oc1ccc(Br)cc1 ZINC000652160944 565917653 /nfs/dbraw/zinc/91/76/53/565917653.db2.gz BGHWESBUBSLHOP-CYBMUJFWSA-N 1 0 384.318 2.987 20 0 GFADRO Cc1cn2cc(CC(=O)NCC3([NH+]4CCSCC4)CCCC3)nc2s1 ZINC000630733452 565918244 /nfs/dbraw/zinc/91/82/44/565918244.db2.gz YYYCFWIVEJZKTP-UHFFFAOYSA-N 1 0 378.567 2.725 20 0 GFADRO [NH3+]CC1(CCNC(=O)N[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)CC1 ZINC000652176958 565918872 /nfs/dbraw/zinc/91/88/72/565918872.db2.gz WFYDZGSHCUXZPS-CQSZACIVSA-N 1 0 385.295 2.527 20 0 GFADRO CCO[C@@H]1CN(C(=O)N[C@H](CC)Cc2ccccc2Br)C[C@H]1C[NH3+] ZINC000652168162 565918928 /nfs/dbraw/zinc/91/89/28/565918928.db2.gz RGIWBWKQWNIYKY-BFYDXBDKSA-N 1 0 398.345 2.775 20 0 GFADRO COCC[N@@H+]1CCCN(C(=O)[C@H]2[C@@H]3c4ccc(Br)cc4C[C@H]23)CC1 ZINC000630827938 565921475 /nfs/dbraw/zinc/92/14/75/565921475.db2.gz AMIRBFCKOPYTCV-RCCFBDPRSA-N 1 0 393.325 2.516 20 0 GFADRO C[C@H]([NH2+]CCC1(CO)CCC1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000652312419 565921818 /nfs/dbraw/zinc/92/18/18/565921818.db2.gz OODCNINRNRYXQP-JTQLQIEISA-N 1 0 381.325 2.844 20 0 GFADRO Cc1cc(Br)sc1S(=O)(=O)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000652372012 565923956 /nfs/dbraw/zinc/92/39/56/565923956.db2.gz NHMQLPGKWIYJAH-RYUDHWBXSA-N 1 0 393.372 2.972 20 0 GFADRO Cc1cc(Br)sc1S(=O)(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000652371197 565924632 /nfs/dbraw/zinc/92/46/32/565924632.db2.gz MXPWTWLNIDYEBW-NWDGAFQWSA-N 1 0 393.372 2.829 20 0 GFADRO Cc1cc(Br)sc1S(=O)(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000652370196 565924778 /nfs/dbraw/zinc/92/47/78/565924778.db2.gz VTWFDCITVCQIEP-CYBMUJFWSA-N 1 0 379.345 2.583 20 0 GFADRO COc1cc(CNC(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)cc(Br)c1OC ZINC000604186726 565925472 /nfs/dbraw/zinc/92/54/72/565925472.db2.gz RTNVQJRQMGSNEK-GFCCVEGCSA-N 1 0 398.301 2.502 20 0 GFADRO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(C(=O)c2cc(Cl)cc(Cl)c2F)CC1 ZINC000630892269 565925648 /nfs/dbraw/zinc/92/56/48/565925648.db2.gz UBIOWCRPBPYXKE-AWEZNQCLSA-N 1 0 388.270 2.687 20 0 GFADRO CC[C@@H]1[C@@H](C(=O)NCc2nnc(-c3ccc(Br)cc3)[nH]2)CC[N@@H+]1C ZINC000630896628 565925849 /nfs/dbraw/zinc/92/58/49/565925849.db2.gz UEMFSXMITJZNBY-UONOGXRCSA-N 1 0 392.301 2.581 20 0 GFADRO C[NH2+]Cc1ccccc1CNS(=O)(=O)c1cc(C)cc(Br)c1 ZINC000652381737 565926475 /nfs/dbraw/zinc/92/64/75/565926475.db2.gz KVLGVYQRVPTQMP-UHFFFAOYSA-N 1 0 383.311 2.955 20 0 GFADRO C[C@H]1CCCN(S(=O)(=O)c2ccc(F)c(Br)c2)[C@H]1CC[NH3+] ZINC000652377907 565926596 /nfs/dbraw/zinc/92/65/96/565926596.db2.gz SBZVIDINXKVNKU-HZMBPMFUSA-N 1 0 379.295 2.726 20 0 GFADRO NS(=O)(=O)c1cc(C[NH2+]C[C@@H](c2cccs2)N2CCCC2)ccc1Cl ZINC000631030656 565933459 /nfs/dbraw/zinc/93/34/59/565933459.db2.gz UUUNAFJWOLOWSQ-HNNXBMFYSA-N 1 0 399.969 2.976 20 0 GFADRO C[NH+]1CCN(CCCNc2ncc(Br)cc2C(F)(F)F)CC1 ZINC000631047487 565934882 /nfs/dbraw/zinc/93/48/82/565934882.db2.gz PALFCYVXAOZMCE-UHFFFAOYSA-N 1 0 381.240 2.912 20 0 GFADRO CC(C)[NH+](CCNc1cccc(OC(F)(F)F)c1S(N)(=O)=O)C(C)C ZINC000631035279 565935741 /nfs/dbraw/zinc/93/57/41/565935741.db2.gz MFEUIJQNCSUWAK-UHFFFAOYSA-N 1 0 383.436 2.763 20 0 GFADRO C[C@@H](NC(=O)C(=O)NCCC1(C[NH3+])CC1)c1cc(F)c(Cl)cc1Cl ZINC000652666374 565937232 /nfs/dbraw/zinc/93/72/32/565937232.db2.gz FOEWXPODMDHPAD-SECBINFHSA-N 1 0 376.259 2.555 20 0 GFADRO C[NH+]1CCN(C[C@H](NCc2ccncc2Br)c2ccccc2)CC1 ZINC000631062625 565937192 /nfs/dbraw/zinc/93/71/92/565937192.db2.gz XYDHYSXSCTXCFF-IBGZPJMESA-N 1 0 389.341 2.922 20 0 GFADRO O=C(NCCC1CC[NH2+]CC1)C(=O)Nc1ccc(Cl)cc1Br ZINC000652643453 565937263 /nfs/dbraw/zinc/93/72/63/565937263.db2.gz LMKLJVVHAWNDCG-UHFFFAOYSA-N 1 0 388.693 2.547 20 0 GFADRO COCCc1ncc(C[NH2+]CCNC(=O)c2cccc(Br)c2)s1 ZINC000631070640 565937902 /nfs/dbraw/zinc/93/79/02/565937902.db2.gz CMODPTQXVUTVQA-UHFFFAOYSA-N 1 0 398.326 2.614 20 0 GFADRO NS(=O)(=O)c1cc(C[NH2+]CCc2nc(C(F)(F)F)cs2)ccc1Cl ZINC000631081289 565938312 /nfs/dbraw/zinc/93/83/12/565938312.db2.gz MOCKGLNMSOEKPZ-UHFFFAOYSA-N 1 0 399.847 2.795 20 0 GFADRO C[C@H](Cc1ccc(F)c(Br)c1)[NH2+]Cc1cn(C[C@@H]2CCOC2)nn1 ZINC000631088922 565939963 /nfs/dbraw/zinc/93/99/63/565939963.db2.gz IQVJEMXJFKFBIK-OCCSQVGLSA-N 1 0 397.292 2.937 20 0 GFADRO COc1ccc(C[NH+](C)C)cc1NCc1ccc(Cl)c(S(N)(=O)=O)c1 ZINC000631094957 565940331 /nfs/dbraw/zinc/94/03/31/565940331.db2.gz WHJLMWPPGIUPNV-UHFFFAOYSA-N 1 0 383.901 2.670 20 0 GFADRO O=C(c1cc(Cl)cc(Br)c1)N1CCN([C@@H]2CCC[C@@H]2O)CC1 ZINC000676575140 565942702 /nfs/dbraw/zinc/94/27/02/565942702.db2.gz VAESPYIYBZTVGR-CABCVRRESA-N 1 0 387.705 2.774 20 0 GFADRO COc1cc(F)cc(C[C@H](C)[NH2+]Cc2ccc(Cl)c(S(N)(=O)=O)c2)c1 ZINC000631156273 565945391 /nfs/dbraw/zinc/94/53/91/565945391.db2.gz ZFDBHUSRCXCKFO-NSHDSACASA-N 1 0 386.876 2.856 20 0 GFADRO FC(F)(F)[C@@H](C[NH2+]Cc1cc(Cl)c2c(c1)OCCCO2)n1cncn1 ZINC000631212654 565947949 /nfs/dbraw/zinc/94/79/49/565947949.db2.gz ZDMGUORLNHIZBT-CYBMUJFWSA-N 1 0 376.766 2.986 20 0 GFADRO C[C@@H](NC(=O)CN1CC[NH+](C(C)(C)CO)CC1)c1ccc(Cl)cc1Cl ZINC000605420666 565950916 /nfs/dbraw/zinc/95/09/16/565950916.db2.gz VDPQARWENRBCQW-CYBMUJFWSA-N 1 0 388.339 2.559 20 0 GFADRO O=C(c1cccc(Cl)c1Cl)N1CCN(C(=O)[C@H]2CCC[NH2+]CC2)CC1 ZINC000653069359 565952905 /nfs/dbraw/zinc/95/29/05/565952905.db2.gz KTOTYBVZPBKDOV-ZDUSSCGKSA-N 1 0 384.307 2.668 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653058718 565953431 /nfs/dbraw/zinc/95/34/31/565953431.db2.gz CVOZTAMTJNMROL-CVEARBPZSA-N 1 0 394.313 2.685 20 0 GFADRO C[NH+](C)C[C@@]1(O)CCCN(c2nc(C(F)(F)F)c(Br)s2)C1 ZINC000631344457 565954955 /nfs/dbraw/zinc/95/49/55/565954955.db2.gz QMRAUDMZISBUOI-NSHDSACASA-N 1 0 388.253 2.817 20 0 GFADRO COCc1n[nH]c(CNc2cc(C)nc(-c3ccc(Br)cc3)n2)n1 ZINC000631367895 565955374 /nfs/dbraw/zinc/95/53/74/565955374.db2.gz OOJYKTYMLNQSQQ-UHFFFAOYSA-N 1 0 389.257 2.513 20 0 GFADRO O=C(N[C@@H]1CCN(c2ccc(Br)cc2)C1)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653116827 565955475 /nfs/dbraw/zinc/95/54/75/565955475.db2.gz VFBVUWQKQKRBGL-OIISXLGYSA-N 1 0 378.314 2.675 20 0 GFADRO O=C(N[C@@H]1CCN(c2ccc(Br)cc2)C1)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653116825 565955559 /nfs/dbraw/zinc/95/55/59/565955559.db2.gz VFBVUWQKQKRBGL-DJIMGWMZSA-N 1 0 378.314 2.675 20 0 GFADRO C[C@@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[N@@H+]1CC[C@H](CC(N)=O)C1 ZINC000676908946 565955760 /nfs/dbraw/zinc/95/57/60/565955760.db2.gz RPDKSEVXOIYUMD-VHSXEESVSA-N 1 0 377.794 2.883 20 0 GFADRO COCC[NH2+]C1CCN(C(=O)[C@H]2CCOc3ccc(Br)cc32)CC1 ZINC000653179968 565957646 /nfs/dbraw/zinc/95/76/46/565957646.db2.gz AOXHPPALJJBZAI-HNNXBMFYSA-N 1 0 397.313 2.542 20 0 GFADRO [NH3+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCOc3ccc(Br)cc31)C2 ZINC000653193075 565958375 /nfs/dbraw/zinc/95/83/75/565958375.db2.gz CRPBDQDJODSAQA-WRSAYESZSA-N 1 0 379.298 2.903 20 0 GFADRO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCCN2C(=O)c2[nH]nc(C3CC3)c2Br)C1 ZINC000653263287 565960165 /nfs/dbraw/zinc/96/01/65/565960165.db2.gz NZDVWLZTXPBUKM-JHJVBQTASA-N 1 0 397.317 2.551 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2C(=O)COc2ccccc2Br)C1 ZINC000653261038 565960648 /nfs/dbraw/zinc/96/06/48/565960648.db2.gz NSVBLPFUMFNQJO-KMFMINBZSA-N 1 0 397.313 2.715 20 0 GFADRO COCC[N@@H+]1CCC[C@H](NC(=O)Cc2c[nH]c3cccc(Br)c23)C1 ZINC000677143885 565961338 /nfs/dbraw/zinc/96/13/38/565961338.db2.gz XIKRCJGFCRYFAI-AWEZNQCLSA-N 1 0 394.313 2.700 20 0 GFADRO Cc1ccc(C(=O)N(C)[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)c(Br)c1 ZINC000677248519 565966389 /nfs/dbraw/zinc/96/63/89/565966389.db2.gz XZONQJZFRXNQBE-MRXNPFEDSA-N 1 0 394.357 2.998 20 0 GFADRO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)c1cn(-c2ccc(Br)cc2)cn1 ZINC000677305568 565969248 /nfs/dbraw/zinc/96/92/48/565969248.db2.gz YNOGNXACJXDOIP-OAHLLOKOSA-N 1 0 389.297 2.849 20 0 GFADRO CN1C(=O)N(C[C@H]2C[C@@H]([NH+](C)C)C2)C(=O)[C@H]1c1cccc(Br)c1 ZINC000653521392 565970035 /nfs/dbraw/zinc/97/00/35/565970035.db2.gz XADBSTIDEDEZQN-BYCMXARLSA-N 1 0 380.286 2.724 20 0 GFADRO O=S(=O)(CCC[NH+]1CCCC1)NCc1cccc(OCC(F)(F)F)c1 ZINC000631755023 565972145 /nfs/dbraw/zinc/97/21/45/565972145.db2.gz WPOBOPSVCHYSKX-UHFFFAOYSA-N 1 0 380.432 2.533 20 0 GFADRO O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)N1CCO[C@@H](C(F)(F)F)C1 ZINC000606966060 565975579 /nfs/dbraw/zinc/97/55/79/565975579.db2.gz KAHXIVHEIDBHME-GXTWGEPZSA-N 1 0 377.432 2.858 20 0 GFADRO [NH3+][C@H]1CCCCCN(CC(=O)Nc2c(F)cc(F)cc2Br)C1 ZINC000631832754 565977818 /nfs/dbraw/zinc/97/78/18/565977818.db2.gz MJFSHTIPSYVQAM-NSHDSACASA-N 1 0 376.245 2.869 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2cccc(Br)c2)C[C@H]1C ZINC000607161237 565979451 /nfs/dbraw/zinc/97/94/51/565979451.db2.gz MHTSIEQWVAFTMO-TZMCWYRMSA-N 1 0 375.332 2.942 20 0 GFADRO Cc1cc(Cl)c(C)c(S(=O)(=O)NC[C@H](C)N2CC[NH+](C)CC2)c1Cl ZINC000607362544 565983815 /nfs/dbraw/zinc/98/38/15/565983815.db2.gz USRKIFNYPAVDKT-LBPRGKRZSA-N 1 0 394.368 2.524 20 0 GFADRO O=S(=O)(c1cscc1Br)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000631949921 565985564 /nfs/dbraw/zinc/98/55/64/565985564.db2.gz SUTNUAXLOBJKGC-GFCCVEGCSA-N 1 0 393.372 2.911 20 0 GFADRO O=S(=O)(N[C@@H]1CC[NH2+]C12CCC2)c1ccc(C(F)(F)C(F)(F)F)cc1 ZINC000631954778 565985937 /nfs/dbraw/zinc/98/59/37/565985937.db2.gz WOEVYZBCOGFUGK-GFCCVEGCSA-N 1 0 384.370 2.904 20 0 GFADRO O=S(=O)(Cc1cccc(Br)c1)NCc1cccc2c1CC[NH2+]C2 ZINC000631962650 565986659 /nfs/dbraw/zinc/98/66/59/565986659.db2.gz MUSNROIDOVOSDY-UHFFFAOYSA-N 1 0 395.322 2.714 20 0 GFADRO CC[C@@H]1C[N@H+](CC)CCN1C(=O)c1cnc2ncc(Br)cc2c1 ZINC000654008943 565991187 /nfs/dbraw/zinc/99/11/87/565991187.db2.gz FOPPWMZGYUHNEW-OAHLLOKOSA-N 1 0 377.286 2.949 20 0 GFADRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)c2ccn(-c3ccc(Br)cc3)n2)C1 ZINC000654063576 565994982 /nfs/dbraw/zinc/99/49/82/565994982.db2.gz SDIPZNVXCSZIMC-JNSHFYNHSA-N 1 0 377.286 2.705 20 0 GFADRO C[C@@H]1C[C@@H]1N1C[C@@H]([NH2+]Cc2cnn(-c3ccc(Br)cc3)c2)CC1=O ZINC000608071350 566002495 /nfs/dbraw/zinc/00/24/95/566002495.db2.gz BVMSYBCTFHMPFN-PVUWLOKVSA-N 1 0 389.297 2.734 20 0 GFADRO CN(C(=O)c1ccc(F)c(Br)c1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000608133447 566004642 /nfs/dbraw/zinc/00/46/42/566004642.db2.gz WOZDBCJVFIGSAB-OAHLLOKOSA-N 1 0 398.320 2.829 20 0 GFADRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)N[C@@H]2CCOc3ccc(Br)cc32)C1 ZINC000654398007 566008231 /nfs/dbraw/zinc/00/82/31/566008231.db2.gz LNKWNCBFYVZKEV-OSAQELSMSA-N 1 0 382.302 2.912 20 0 GFADRO C[C@@H]([NH2+]CCCN1CCCS1(=O)=O)c1ccc(F)c(Br)c1 ZINC000678581933 566013103 /nfs/dbraw/zinc/01/31/03/566013103.db2.gz FJGCOBZXLISFIA-LLVKDONJSA-N 1 0 379.295 2.664 20 0 GFADRO C[C@@H]([NH2+]CCCN1CCCS1(=O)=O)c1cc(Br)ccc1F ZINC000678583392 566013526 /nfs/dbraw/zinc/01/35/26/566013526.db2.gz RLPIURNVYONSIF-LLVKDONJSA-N 1 0 379.295 2.664 20 0 GFADRO C[C@H](Cc1ccc(Br)c(F)c1)[NH2+][C@@H]1CCN(C2CCOCC2)C1=O ZINC000678595314 566013811 /nfs/dbraw/zinc/01/38/11/566013811.db2.gz WLQACHSVNXMQDF-SJKOYZFVSA-N 1 0 399.304 2.889 20 0 GFADRO C[C@@H]([NH2+]CCCN1CCCS1(=O)=O)c1ccc(OCC(F)(F)F)cc1 ZINC000678581895 566013841 /nfs/dbraw/zinc/01/38/41/566013841.db2.gz DJYBFNJUOOKEDG-CYBMUJFWSA-N 1 0 380.432 2.704 20 0 GFADRO CCN(CCC[NH+](CC)CC)S(=O)(=O)Cc1ncsc1Br ZINC000632266410 566015485 /nfs/dbraw/zinc/01/54/85/566015485.db2.gz WUWRFBOXPKIPDC-UHFFFAOYSA-N 1 0 398.392 2.789 20 0 GFADRO CCN(CCOc1ccc(Br)cc1)C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000608647642 566019867 /nfs/dbraw/zinc/01/98/67/566019867.db2.gz GWCUYQMREQVQGG-HNNXBMFYSA-N 1 0 384.318 2.954 20 0 GFADRO C[C@@H](CNC(=O)NC[C@@H]1CCC[N@H+](C)C1)Oc1ccc(Br)cc1 ZINC000608675513 566020084 /nfs/dbraw/zinc/02/00/84/566020084.db2.gz GVFCRJIXCLUZEX-KBPBESRZSA-N 1 0 384.318 2.857 20 0 GFADRO O=C(N[C@H](CO)c1ccc(Br)cc1)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000654732177 566020560 /nfs/dbraw/zinc/02/05/60/566020560.db2.gz UJBPEBCBLPLPJN-BBWFWOEESA-N 1 0 396.329 2.799 20 0 GFADRO COCC[N@H+](C)CCNC(=O)CSCc1ccc(Br)cc1F ZINC000608891573 566026362 /nfs/dbraw/zinc/02/63/62/566026362.db2.gz VOFUCZUOTZMDIL-UHFFFAOYSA-N 1 0 393.322 2.516 20 0 GFADRO C[NH+](C)CCCS(=O)(=O)N1CCC(c2nc(C(F)(F)F)cs2)CC1 ZINC000632391881 566026790 /nfs/dbraw/zinc/02/67/90/566026790.db2.gz PYLPNTTUWSQDGO-UHFFFAOYSA-N 1 0 385.477 2.623 20 0 GFADRO CO[C@@H](C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1)c1ccccc1Br ZINC000654899242 566028484 /nfs/dbraw/zinc/02/84/84/566028484.db2.gz FIRMYSYIGRPFDU-WMLDXEAASA-N 1 0 397.313 2.506 20 0 GFADRO Cc1c([C@@H](C)[NH2+]CCCn2cncn2)nnn1-c1cccc(Br)c1 ZINC000679034866 566028535 /nfs/dbraw/zinc/02/85/35/566028535.db2.gz BTIANGZMZSTLDG-GFCCVEGCSA-N 1 0 390.289 2.671 20 0 GFADRO C[NH+](C)CCn1ccc(C(=O)NCC(C)(C)c2ccccc2Br)n1 ZINC000654933360 566029494 /nfs/dbraw/zinc/02/94/94/566029494.db2.gz PMVAYXCHMVEREQ-UHFFFAOYSA-N 1 0 393.329 2.915 20 0 GFADRO Cc1cccc(NC(=O)C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)c1Br ZINC000654948628 566032055 /nfs/dbraw/zinc/03/20/55/566032055.db2.gz DWMITHRUIULOKA-ZFWWWQNUSA-N 1 0 394.313 2.829 20 0 GFADRO O=C(Nc1ccccc1Br)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000654946865 566032159 /nfs/dbraw/zinc/03/21/59/566032159.db2.gz ORIPMFUFHJNXFJ-CABCVRRESA-N 1 0 380.286 2.521 20 0 GFADRO COC(=O)CSCCC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000609344093 566036632 /nfs/dbraw/zinc/03/66/32/566036632.db2.gz MKSQPZCYUBLFBR-MRXNPFEDSA-N 1 0 384.929 2.889 20 0 GFADRO COCCN1CC[C@H]([NH2+][C@H](c2ccc(Br)cc2)[C@@H]2CCCO2)C1 ZINC000679341100 566037860 /nfs/dbraw/zinc/03/78/60/566037860.db2.gz JNMJHIVLNYDLJJ-OKZBNKHCSA-N 1 0 383.330 2.980 20 0 GFADRO CSc1cc(Br)ccc1C(=O)NC[C@@H]1CCC[N@@H+]1CCCO ZINC000655120495 566041321 /nfs/dbraw/zinc/04/13/21/566041321.db2.gz INYOXUZEOUIZKX-ZDUSSCGKSA-N 1 0 387.343 2.748 20 0 GFADRO CC[N@@H+](CC(=O)Nc1cccc(I)c1)C[C@@H]1CCOC1 ZINC000609631605 566047580 /nfs/dbraw/zinc/04/75/80/566047580.db2.gz FRZLOCVQORKYNV-LBPRGKRZSA-N 1 0 388.249 2.588 20 0 GFADRO O[C@H](COc1ccc(Br)cc1)C[N@@H+]1CCC[C@H](OC(F)F)C1 ZINC000679676318 566048617 /nfs/dbraw/zinc/04/86/17/566048617.db2.gz ICLPGUIGOXMOKN-JSGCOSHPSA-N 1 0 380.229 2.892 20 0 GFADRO Cc1c2cc(Br)cc(C)c2oc1C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000655295707 566050886 /nfs/dbraw/zinc/05/08/86/566050886.db2.gz NGJDPDOLWMRWBA-UONOGXRCSA-N 1 0 393.281 2.703 20 0 GFADRO O=C(N[C@H](CCO)c1ccccc1Br)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000679775549 566051984 /nfs/dbraw/zinc/05/19/84/566051984.db2.gz IAJGPYMPKHZWRT-JKIFEVAISA-N 1 0 396.329 2.799 20 0 GFADRO COc1cc(Br)ccc1CN1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000679768591 566052144 /nfs/dbraw/zinc/05/21/44/566052144.db2.gz DJBWYYQLQMSCPZ-KRWDZBQOSA-N 1 0 382.346 2.670 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)CCC[N@@H+](C)CC(=O)N(C)C ZINC000679817073 566053554 /nfs/dbraw/zinc/05/35/54/566053554.db2.gz KWBNHXYRMNOCQL-UHFFFAOYSA-N 1 0 384.318 2.805 20 0 GFADRO O=C([C@H]1C[C@]12CCC[NH2+]C2)N1CCN(Cc2ccc(Br)s2)CC1 ZINC000655442862 566057457 /nfs/dbraw/zinc/05/74/57/566057457.db2.gz DKTOETDDPNWNQC-PBHICJAKSA-N 1 0 398.370 2.545 20 0 GFADRO O=C(N[C@@H]1CCN(c2ccccc2Br)C1)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000655447602 566057501 /nfs/dbraw/zinc/05/75/01/566057501.db2.gz ASIDCJVYTNTIMY-LBTNJELSSA-N 1 0 378.314 2.534 20 0 GFADRO CO[C@H](C(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2)c1ccccc1Br ZINC000655451152 566057551 /nfs/dbraw/zinc/05/75/51/566057551.db2.gz DBVGJNWFZHLTBT-PXAZEXFGSA-N 1 0 390.281 2.986 20 0 GFADRO CC[NH+](CC)CCCNS(=O)(=O)Cc1cccc(Br)c1C ZINC000655462389 566057557 /nfs/dbraw/zinc/05/75/57/566057557.db2.gz PHXXFSZPXMJSPS-UHFFFAOYSA-N 1 0 377.348 2.909 20 0 GFADRO O=C(C[C@@H]1COCC[NH2+]1)N1CCN(c2cc(Cl)c(Cl)c(Cl)c2)CC1 ZINC000655525118 566063346 /nfs/dbraw/zinc/06/33/46/566063346.db2.gz LAJKMPQQPGHAMO-LLVKDONJSA-N 1 0 392.714 2.674 20 0 GFADRO O=C(CCc1cc(F)ccc1Br)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000680143690 566064935 /nfs/dbraw/zinc/06/49/35/566064935.db2.gz SZGPYKLWBPHDJR-IAGOWNOFSA-N 1 0 399.304 2.578 20 0 GFADRO COC(=O)[C@H](NC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C)c1ccc(Br)cc1 ZINC000610150298 566069169 /nfs/dbraw/zinc/06/91/69/566069169.db2.gz HWULRAZZLQSHAH-BFQNTYOBSA-N 1 0 383.286 2.652 20 0 GFADRO CC(C)[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000632863062 566072291 /nfs/dbraw/zinc/07/22/91/566072291.db2.gz GNBZQMOQFCHIOZ-DVOMOZLQSA-N 1 0 383.945 2.756 20 0 GFADRO O=C(c1cn(-c2ccc(Br)cc2)cn1)N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000632872741 566072457 /nfs/dbraw/zinc/07/24/57/566072457.db2.gz AWEGRKXYIWGMSM-DYVFJYSZSA-N 1 0 389.297 2.849 20 0 GFADRO C[C@H]1C[C@@H]([NH3+])CN1C(=O)Nc1ccc(CCn2cc(Br)cn2)cc1 ZINC000632915270 566073883 /nfs/dbraw/zinc/07/38/83/566073883.db2.gz IBLQOUXQPZASFF-SWLSCSKDSA-N 1 0 392.301 2.842 20 0 GFADRO CS(=O)(=O)c1ccc(NC(=O)N2CCCCC[C@@H]([NH3+])C2)cc1C(F)F ZINC000632930813 566075039 /nfs/dbraw/zinc/07/50/39/566075039.db2.gz ZRMPUZJNQWIOHP-LLVKDONJSA-N 1 0 375.441 2.763 20 0 GFADRO CCOCCOc1ccc(Br)cc1NC(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000632930634 566075327 /nfs/dbraw/zinc/07/53/27/566075327.db2.gz PXUSVDKVYJDBJF-OKILXGFUSA-N 1 0 398.301 2.833 20 0 GFADRO O=S(=O)(N[C@H]1CCC[N@@H+]2CCCC[C@H]12)c1cc(F)ccc1Br ZINC000655668141 566079898 /nfs/dbraw/zinc/07/98/98/566079898.db2.gz BLBXEJCDDQTGAN-UONOGXRCSA-N 1 0 391.306 2.883 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)C(=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000633045519 566080704 /nfs/dbraw/zinc/08/07/04/566080704.db2.gz LWAIXFFFZONRRP-AWEZNQCLSA-N 1 0 396.329 2.844 20 0 GFADRO CCN(CC)S(=O)(=O)c1ccc(CC[NH2+][C@@H]2CCCn3ccnc32)s1 ZINC000655708099 566082562 /nfs/dbraw/zinc/08/25/62/566082562.db2.gz CXGWEYOGISRAPU-OAHLLOKOSA-N 1 0 382.555 2.642 20 0 GFADRO Brc1ccccc1N1CC[C@H]([NH2+]C2CCN([C@H]3CCOC3)CC2)C1 ZINC000655710588 566083719 /nfs/dbraw/zinc/08/37/19/566083719.db2.gz AHWIMCMYOIQSKI-IRXDYDNUSA-N 1 0 394.357 2.871 20 0 GFADRO Cc1nn(-c2ccccc2Br)cc1C[NH2+]CCN1CCO[C@H](C)C1 ZINC000655730287 566084487 /nfs/dbraw/zinc/08/44/87/566084487.db2.gz REVPUDGQMLBLJD-CQSZACIVSA-N 1 0 393.329 2.754 20 0 GFADRO Cc1nn(-c2cccc(Br)c2)cc1C[NH2+][C@H]1CCCN(C)C1=O ZINC000655745079 566086005 /nfs/dbraw/zinc/08/60/05/566086005.db2.gz ZIOKJOABRASZJQ-INIZCTEOSA-N 1 0 377.286 2.654 20 0 GFADRO C[N@@H+]1CC[C@]2(CCN(C(=O)c3ccc4cncc(Br)c4n3)C2)C1 ZINC000633189051 566088433 /nfs/dbraw/zinc/08/84/33/566088433.db2.gz TUKAXKKMJZAVNE-KRWDZBQOSA-N 1 0 375.270 2.560 20 0 GFADRO CCN1C[C@H](C[NH2+]Cc2cn(-c3cccc(Br)c3)nc2C)CC1=O ZINC000655799776 566089919 /nfs/dbraw/zinc/08/99/19/566089919.db2.gz PICQQTJDQWJREI-AWEZNQCLSA-N 1 0 391.313 2.901 20 0 GFADRO CC(C)(C)n1nnc(CNCC2=Cc3cc(Br)ccc3OC2)n1 ZINC000655832048 566091826 /nfs/dbraw/zinc/09/18/26/566091826.db2.gz OUMHBTHOUYDINP-UHFFFAOYSA-N 1 0 378.274 2.756 20 0 GFADRO Cn1nnc2c1CC[C@H]([NH2+]Cc1nc(-c3cccc(Br)c3)c[nH]1)C2 ZINC000655841440 566093048 /nfs/dbraw/zinc/09/30/48/566093048.db2.gz CLMKUEFUDROVIK-ZDUSSCGKSA-N 1 0 387.285 2.615 20 0 GFADRO [NH3+]C[C@@H](NC(=O)N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1)C(F)(F)F ZINC000655915369 566095586 /nfs/dbraw/zinc/09/55/86/566095586.db2.gz MYVQCPQITZDRTG-NWDGAFQWSA-N 1 0 386.201 2.966 20 0 GFADRO [NH3+]C[C@@H](NC(=O)N1CC[C@@H](Cc2ccc(Br)cc2)C1)C(F)(F)F ZINC000655925575 566097078 /nfs/dbraw/zinc/09/70/78/566097078.db2.gz DLZDWAAAXYUVAU-WCQYABFASA-N 1 0 394.235 2.913 20 0 GFADRO Cc1c(Br)cccc1CS(=O)(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000655950452 566097545 /nfs/dbraw/zinc/09/75/45/566097545.db2.gz HRZCXXUJFAZCPJ-BXUZGUMPSA-N 1 0 375.332 2.504 20 0 GFADRO O=C(NCCCc1c(Cl)cccc1Cl)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000655972632 566100546 /nfs/dbraw/zinc/10/05/46/566100546.db2.gz HWVZXUQUBKIWIT-CQSZACIVSA-N 1 0 385.339 2.615 20 0 GFADRO O=C(N[C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21)N1CC[NH+]2CCC1CC2 ZINC000633406525 566100842 /nfs/dbraw/zinc/10/08/42/566100842.db2.gz DUUJGSIWMXKIHM-HYVNUMGLSA-N 1 0 376.298 2.577 20 0 GFADRO C[C@@H](NC(=O)C(=O)NCCCc1c(Cl)cccc1Cl)[C@H]1CCC[NH2+]C1 ZINC000656019772 566101212 /nfs/dbraw/zinc/10/12/12/566101212.db2.gz JGAJTVKIHSGJIX-OLZOCXBDSA-N 1 0 386.323 2.547 20 0 GFADRO C[N@@H+]1CCC[C@@H](CCNC(=O)c2ccc3cncc(Br)c3n2)C1 ZINC000633419613 566101782 /nfs/dbraw/zinc/10/17/82/566101782.db2.gz VHJMMZFWBKJLFF-LBPRGKRZSA-N 1 0 377.286 2.854 20 0 GFADRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)NCCCc1c(Cl)cccc1Cl ZINC000656085997 566103505 /nfs/dbraw/zinc/10/35/05/566103505.db2.gz PIWUYIJWTLVEKP-CYBMUJFWSA-N 1 0 386.323 2.595 20 0 GFADRO COC1CC[NH+](CCNC(=O)NC/C=C\c2ccc(Br)cc2)CC1 ZINC000656140638 566105616 /nfs/dbraw/zinc/10/56/16/566105616.db2.gz ZNRNPYMAOOCDNY-IHWYPQMZSA-N 1 0 396.329 2.872 20 0 GFADRO CC[N@@H+]1CCN(C(=O)Nc2ccc(F)cc2I)C[C@H]1C ZINC000611097899 566114115 /nfs/dbraw/zinc/11/41/15/566114115.db2.gz JOBDJUAQQJWKHI-SNVBAGLBSA-N 1 0 391.228 2.988 20 0 GFADRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)c1c(Br)cnn1C ZINC000633802472 566125565 /nfs/dbraw/zinc/12/55/65/566125565.db2.gz JCARTTMFAISHNE-DZGCQCFKSA-N 1 0 391.313 2.681 20 0 GFADRO CC[C@H]([NH2+][C@@H](CO)c1cnn(C)c1)c1ccc(I)cc1 ZINC000611337257 566126039 /nfs/dbraw/zinc/12/60/39/566126039.db2.gz NBFWKFAAMRCIHP-GJZGRUSLSA-N 1 0 385.249 2.799 20 0 GFADRO C[C@@H](NC(=O)c1cnc2ncc(Br)cc2c1)C1CC[NH+](C)CC1 ZINC000681994513 566137555 /nfs/dbraw/zinc/13/75/55/566137555.db2.gz IIYZTUPSIIWFJQ-LLVKDONJSA-N 1 0 377.286 2.852 20 0 GFADRO COc1cc(Br)ccc1CCC[N@@H+]1CCN(CCO)C(C)(C)C1 ZINC000682033932 566140140 /nfs/dbraw/zinc/14/01/40/566140140.db2.gz AWBBORUYMIRCEU-UHFFFAOYSA-N 1 0 385.346 2.779 20 0 GFADRO Fc1cc(Br)cc(OCCN2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC000682083754 566142903 /nfs/dbraw/zinc/14/29/03/566142903.db2.gz VZGPIQNFABSRDD-INIZCTEOSA-N 1 0 387.293 2.764 20 0 GFADRO COC[C@H]([NH2+]CC(=O)Nc1ccc(Br)cc1C)C1CCOCC1 ZINC000682134436 566145017 /nfs/dbraw/zinc/14/50/17/566145017.db2.gz ZPCUEJJWYQZAAM-INIZCTEOSA-N 1 0 385.302 2.727 20 0 GFADRO CC(C)[C@H]([NH3+])C(=O)NC1CCN(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000634299463 566151961 /nfs/dbraw/zinc/15/19/61/566151961.db2.gz RLVBGJBRLBSIAB-HNNXBMFYSA-N 1 0 397.317 2.545 20 0 GFADRO CCN1CC[C@H]([NH2+]CC2(c3cccc(Br)c3)CCOCC2)C1=O ZINC000656674801 566154947 /nfs/dbraw/zinc/15/49/47/566154947.db2.gz ZVQNYNWLOPNGNN-INIZCTEOSA-N 1 0 381.314 2.708 20 0 GFADRO COCC1(C2CCC2)C[NH+](C[C@@H](O)COc2ccc(Br)cc2)C1 ZINC000656705238 566155660 /nfs/dbraw/zinc/15/56/60/566155660.db2.gz IRGRLQPKTAEUTP-MRXNPFEDSA-N 1 0 384.314 2.937 20 0 GFADRO COc1cccc(OC)c1C[NH2+]C[C@@H](O)COc1cccc(Br)c1 ZINC000656704842 566155698 /nfs/dbraw/zinc/15/56/98/566155698.db2.gz KZFVEDHCCCJRIT-CQSZACIVSA-N 1 0 396.281 2.996 20 0 GFADRO C[C@@H]([NH2+]CCC1CS(=O)(=O)C1)c1ccc(OC(F)F)cc1OC(F)F ZINC000682498651 566157871 /nfs/dbraw/zinc/15/78/71/566157871.db2.gz NVJFQYXSOIOFFY-SECBINFHSA-N 1 0 385.379 2.975 20 0 GFADRO C[C@H]([NH2+]CCC1CS(=O)(=O)C1)c1ccc(OC(F)F)cc1OC(F)F ZINC000682498653 566157968 /nfs/dbraw/zinc/15/79/68/566157968.db2.gz NVJFQYXSOIOFFY-VIFPVBQESA-N 1 0 385.379 2.975 20 0 GFADRO O=C(Cc1ccc(Br)cc1F)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000612388309 566159970 /nfs/dbraw/zinc/15/99/70/566159970.db2.gz GXJJGVYRYZNFRY-OAHLLOKOSA-N 1 0 385.277 2.500 20 0 GFADRO Cc1c(F)c(Br)ccc1C(=O)NCC1(O)CC[NH+](C(C)C)CC1 ZINC000612394695 566160162 /nfs/dbraw/zinc/16/01/62/566160162.db2.gz FIAZZWUUCRSAIC-UHFFFAOYSA-N 1 0 387.293 2.862 20 0 GFADRO C[NH+]1CCC(n2cc(N[C@H](C(N)=O)c3ccc(Br)cc3)cn2)CC1 ZINC000634578300 566160574 /nfs/dbraw/zinc/16/05/74/566160574.db2.gz CYVHFKKUASGVGP-INIZCTEOSA-N 1 0 392.301 2.551 20 0 GFADRO NC(=O)[C@H](Cc1ccc(F)cc1)[NH2+][C@@H]1[C@H]2Cc3c(cccc3Br)[C@@H]12 ZINC000634575841 566160654 /nfs/dbraw/zinc/16/06/54/566160654.db2.gz AZCKELQLHCCWRR-DZJNRPSUSA-N 1 0 389.268 2.913 20 0 GFADRO CC(C)(C[NH2+]C[C@H](O)CC1(O)CCOCC1)c1cccc(Br)c1 ZINC000634702516 566171430 /nfs/dbraw/zinc/17/14/30/566171430.db2.gz IAPVOXUPTWBNSS-MRXNPFEDSA-N 1 0 386.330 2.609 20 0 GFADRO C[C@@](O)(C[C@H](O)C[NH2+]CCc1c[nH]c2cccc(Br)c12)C1CC1 ZINC000634714908 566171752 /nfs/dbraw/zinc/17/17/52/566171752.db2.gz UGTNPNJURVGSAE-KBXCAEBGSA-N 1 0 381.314 2.975 20 0 GFADRO C[C@](O)(C[C@H](O)C[NH2+][C@H](CO)c1ccc(Cl)cc1C(F)(F)F)C1CC1 ZINC000634721160 566172488 /nfs/dbraw/zinc/17/24/88/566172488.db2.gz UPXNKIUJMLNSTL-MAZHCROVSA-N 1 0 381.822 2.894 20 0 GFADRO O[C@@H](C[NH2+]CCc1ccc(Br)cc1Cl)CC1(O)CCOCC1 ZINC000634715834 566172528 /nfs/dbraw/zinc/17/25/28/566172528.db2.gz KQKHQRAEEMARGQ-CQSZACIVSA-N 1 0 392.721 2.527 20 0 GFADRO C[C@@H]([NH2+]C[C@H](O)CC1(O)CCOCC1)c1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC000634727391 566172925 /nfs/dbraw/zinc/17/29/25/566172925.db2.gz SPQNQTWWYXGNNF-GHMZBOCLSA-N 1 0 388.295 2.813 20 0 GFADRO O[C@H](C[NH2+]C1CCN([C@H]2CCOC2)CC1)COc1cc(Cl)cc(Cl)c1 ZINC000634722655 566173433 /nfs/dbraw/zinc/17/34/33/566173433.db2.gz SFKHDTSWLAXMBF-DLBZAZTESA-N 1 0 389.323 2.576 20 0 GFADRO C[C@H](Cc1ccc(Br)cc1)[NH2+][C@H]1C[C@H](C)N(c2cnn(C)c2)C1=O ZINC000682911297 566175492 /nfs/dbraw/zinc/17/54/92/566175492.db2.gz RSDIKVBPOMWJSZ-IGCXYCKISA-N 1 0 391.313 2.897 20 0 GFADRO CN(CCC[NH2+]Cc1cc(Br)c(Cl)s1)S(C)(=O)=O ZINC000682938090 566177870 /nfs/dbraw/zinc/17/78/70/566177870.db2.gz BZEPUPVNQSENGZ-UHFFFAOYSA-N 1 0 375.741 2.535 20 0 GFADRO CCn1c(CNC(=O)[C@H]2CCCC[N@@H+]2C)nc2cc(Br)ccc21 ZINC000682993686 566180728 /nfs/dbraw/zinc/18/07/28/566180728.db2.gz NULICHVZXXQVGP-OAHLLOKOSA-N 1 0 379.302 2.919 20 0 GFADRO C[NH+](C)CCn1cc(NC(=O)N2CCc3cc(Br)ccc3C2)cn1 ZINC000683031967 566181432 /nfs/dbraw/zinc/18/14/32/566181432.db2.gz HJVWUASNYIFLKW-UHFFFAOYSA-N 1 0 392.301 2.797 20 0 GFADRO O=C(N[C@@H]1CC12CC[NH2+]CC2)N1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000612996145 566181478 /nfs/dbraw/zinc/18/14/78/566181478.db2.gz OFPCMRYNLHBTPA-MRXNPFEDSA-N 1 0 383.323 2.967 20 0 GFADRO O=C(NCCc1c[nH]c2cccc(Br)c12)N[C@H]1CC12CC[NH2+]CC2 ZINC000612988080 566181748 /nfs/dbraw/zinc/18/17/48/566181748.db2.gz OJYUQAVKTRJVAK-HNNXBMFYSA-N 1 0 391.313 2.914 20 0 GFADRO C[C@@H](C[NH2+][C@@H]1CCCS(=O)(=O)CC1)Oc1ccc(Br)cc1 ZINC000634965364 566185876 /nfs/dbraw/zinc/18/58/76/566185876.db2.gz IYSUUXUEESFQFE-GXTWGEPZSA-N 1 0 376.316 2.773 20 0 GFADRO O=S1(=O)CCC[C@@H]([NH2+][C@H]2COc3cc(F)c(Br)cc32)CC1 ZINC000634979516 566187078 /nfs/dbraw/zinc/18/70/78/566187078.db2.gz GVKCRVGXDQDGNI-RNCFNFMXSA-N 1 0 378.263 2.579 20 0 GFADRO O=S1(=O)CCC[C@@H]([NH2+][C@H]2CCN(c3cccc(Br)c3)C2)CC1 ZINC000634978684 566187294 /nfs/dbraw/zinc/18/72/94/566187294.db2.gz JMBUNFLIPDOBBR-CABCVRRESA-N 1 0 387.343 2.585 20 0 GFADRO C[NH+](C)CCOc1ccccc1CNC(=O)C(=O)Nc1cscc1Cl ZINC000635043928 566190846 /nfs/dbraw/zinc/19/08/46/566190846.db2.gz PYZFKXPRUSLKEV-UHFFFAOYSA-N 1 0 381.885 2.597 20 0 GFADRO C[NH+](C)CCn1ccc(NC(=O)N2CCc3cc(Br)ccc32)n1 ZINC000683437575 566199562 /nfs/dbraw/zinc/19/95/62/566199562.db2.gz XJBZFUXFWKCLBZ-UHFFFAOYSA-N 1 0 378.274 2.802 20 0 GFADRO CC1=CC[N@H+](CCNC(=O)c2cc(Br)cc3c2OCCO3)CC1 ZINC000613524182 566201045 /nfs/dbraw/zinc/20/10/45/566201045.db2.gz UHSFXCMKIMDPSJ-UHFFFAOYSA-N 1 0 381.270 2.602 20 0 GFADRO CCC1([NH+](C)C)CCN(C(=O)C(=O)Nc2cccc(Br)c2)CC1 ZINC000635302067 566204682 /nfs/dbraw/zinc/20/46/82/566204682.db2.gz FRJOHPDDCBJUPC-UHFFFAOYSA-N 1 0 382.302 2.720 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@@H](CNS(=O)(=O)c2ccc(Br)cc2F)C1 ZINC000657032821 566209186 /nfs/dbraw/zinc/20/91/86/566209186.db2.gz GICBESHTKVNIEI-NSHDSACASA-N 1 0 393.322 2.987 20 0 GFADRO C[C@H](Cc1ccc(Br)cc1)C(=O)N1CCC[C@](O)(C[NH+](C)C)C1 ZINC000683912825 566219073 /nfs/dbraw/zinc/21/90/73/566219073.db2.gz NXPFNSIYOKHFSR-KDOFPFPSSA-N 1 0 383.330 2.543 20 0 GFADRO C[NH+](C)CC1(C(=O)Nc2nccn2Cc2ccc(Br)cc2)CC1 ZINC000635668433 566222201 /nfs/dbraw/zinc/22/22/01/566222201.db2.gz OORGOGMOLCXRSU-UHFFFAOYSA-N 1 0 377.286 2.974 20 0 GFADRO C[NH+](C)C[C@]1(O)CCCN(C(=O)C(C)(C)c2ccc(Br)cc2)C1 ZINC000684174534 566229052 /nfs/dbraw/zinc/22/90/52/566229052.db2.gz KMPSEKJTXUZYEG-GOSISDBHSA-N 1 0 383.330 2.642 20 0 GFADRO CC[NH+]1CCC(NC(=O)N2CCOc3c(Br)cccc3C2)CC1 ZINC000684250249 566231172 /nfs/dbraw/zinc/23/11/72/566231172.db2.gz YSNIXVNCBWSLFN-UHFFFAOYSA-N 1 0 382.302 2.837 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)N1CCOc2c(Br)cccc2C1 ZINC000684253169 566231240 /nfs/dbraw/zinc/23/12/40/566231240.db2.gz JQVJGPHGOVTJRN-HUUCEWRRSA-N 1 0 394.313 2.980 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CNC(=O)N1CCOc2c(Br)cccc2C1 ZINC000684268646 566231862 /nfs/dbraw/zinc/23/18/62/566231862.db2.gz SPLSDUDPFIXRAM-AWEZNQCLSA-N 1 0 382.302 2.837 20 0 GFADRO C[C@H](O)C[N@@H+]1CCN(C(=O)CCCc2cccc(Br)c2)[C@H](C)C1 ZINC000684480862 566236499 /nfs/dbraw/zinc/23/64/99/566236499.db2.gz NPXGCYZHMBVRFQ-CABCVRRESA-N 1 0 383.330 2.685 20 0 GFADRO CNS(=O)(=O)Cc1ccc(C[NH2+][C@@H](C)c2ccc(Br)cn2)cc1 ZINC000684551266 566238179 /nfs/dbraw/zinc/23/81/79/566238179.db2.gz PBELSTXLKSAMSJ-LBPRGKRZSA-N 1 0 398.326 2.744 20 0 GFADRO CN(C)c1cc(C(=O)N2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)nc2ccccc21 ZINC000333246138 570750352 /nfs/dbraw/zinc/75/03/52/570750352.db2.gz FTVXSYBNFKFQBE-IIBYNOLFSA-N 1 0 382.508 2.659 20 0 GFADRO Cc1ccc(C[C@@H]2CCC[N@@H+]2C[C@@H](O)COc2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000737336172 598833565 /nfs/dbraw/zinc/83/35/65/598833565.db2.gz YIVANWSPPVQODK-VQTJNVASSA-N 1 0 393.491 2.622 20 0 GFADRO O=C(CC[N@H+]1CCc2c(Cl)cccc2C1)Nc1ccccc1-c1nn[nH]n1 ZINC000737845991 598865712 /nfs/dbraw/zinc/86/57/12/598865712.db2.gz DPSDQMOTNKQVBE-UHFFFAOYSA-N 1 0 382.855 2.907 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)C=Cc2ccccc2-c2nn[nH]n2)C1 ZINC000736268333 598867964 /nfs/dbraw/zinc/86/79/64/598867964.db2.gz SVLAGDHRZANECP-SKFQIZJUSA-N 1 0 394.523 2.993 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(CCOc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000736266827 598871364 /nfs/dbraw/zinc/87/13/64/598871364.db2.gz KMSQACHZGSUNFG-MSOLQXFVSA-N 1 0 384.528 2.832 20 0 GFADRO Cc1cccc(C2([NH2+]CC(=O)NCc3cccc(-c4nn[nH]n4)c3)CCCC2)c1 ZINC000737390192 598871966 /nfs/dbraw/zinc/87/19/66/598871966.db2.gz SCELHUPXOAUWKD-UHFFFAOYSA-N 1 0 390.491 2.850 20 0 GFADRO C[C@H]1C[C@H](NC(=O)N(CC[NH+](C)C)Cc2ccc(-c3nn[nH]n3)cc2)C[C@@H](C)C1 ZINC000736222225 598908054 /nfs/dbraw/zinc/90/80/54/598908054.db2.gz BOWMKYHUWPDPEE-MNZLEMJZSA-N 1 0 399.543 2.765 20 0 GFADRO C[N@H+](CC(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)[C@@H]1CCc2ccccc2C1 ZINC000736787052 598916556 /nfs/dbraw/zinc/91/65/56/598916556.db2.gz DZJQTKABRHNGLC-MRXNPFEDSA-N 1 0 396.882 2.948 20 0 GFADRO Fc1cccc(N2CCC([NH2+]CCOc3ccccc3)CC2)c1-c1nn[nH]n1 ZINC000737661791 598933694 /nfs/dbraw/zinc/93/36/94/598933694.db2.gz PZBUQRFRWOXLLI-UHFFFAOYSA-N 1 0 382.443 2.643 20 0 GFADRO COc1ccc(C)cc1[C@H](C)[NH2+][C@@H]1CCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000737076339 598959916 /nfs/dbraw/zinc/95/99/16/598959916.db2.gz QGQHHDYPTHSAHJ-KBXCAEBGSA-N 1 0 392.463 2.640 20 0 GFADRO CCOc1ccccc1[C@@H](C)[NH2+][C@H]1CCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000736653509 598961042 /nfs/dbraw/zinc/96/10/42/598961042.db2.gz BAVBQQFSLLNSCK-KDOFPFPSSA-N 1 0 392.463 2.722 20 0 GFADRO Cc1ccc([C@@H](CNc2c3ccccc3nnc2-c2nn[nH]n2)[NH+]2CCCC2)o1 ZINC000737321234 598965882 /nfs/dbraw/zinc/96/58/82/598965882.db2.gz ZSIRCRLGXAYMFW-MRXNPFEDSA-N 1 0 390.451 2.960 20 0 GFADRO c1ccc2c(c1)nnc(-c1nn[nH]n1)c2N1CC[NH+](CC2CCCCC2)CC1 ZINC000738435921 598964132 /nfs/dbraw/zinc/96/41/32/598964132.db2.gz FBHLCEKWIFPCLE-UHFFFAOYSA-N 1 0 378.484 2.512 20 0 GFADRO COc1cc(-c2nn[nH]n2)ccc1OCC[N@@H+](Cc1ccco1)C[C@H]1CCCO1 ZINC000737032359 598984673 /nfs/dbraw/zinc/98/46/73/598984673.db2.gz JUIZQWJVMQNQIR-QGZVFWFLSA-N 1 0 399.451 2.528 20 0 GFADRO COc1cc(-c2nn[nH]n2)ccc1OCC[N@@H+]1CC[C@H](c2ccccc2F)C1 ZINC000737030901 598985802 /nfs/dbraw/zinc/98/58/02/598985802.db2.gz BKRZCPVIRKKWCR-HNNXBMFYSA-N 1 0 383.427 2.883 20 0 GFADRO CCC[N@H+](CCC(=O)Nc1ccccc1-c1nn[nH]n1)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000736472445 598989619 /nfs/dbraw/zinc/98/96/19/598989619.db2.gz WZECRPWQZRBQCT-IPELMVKDSA-N 1 0 398.511 2.721 20 0 GFADRO CC[C@H]1CCC[C@H](NC(=O)N(CC[NH+](C)C)Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000736397631 599023745 /nfs/dbraw/zinc/02/37/45/599023745.db2.gz WDYQZKQXUYYCTR-LPHOPBHVSA-N 1 0 399.543 2.909 20 0 GFADRO O=C(C[N@H+](Cc1ccc(F)cc1)CC1CC1)NCc1cccc(-c2nn[nH]n2)c1 ZINC000737863124 599081735 /nfs/dbraw/zinc/08/17/35/599081735.db2.gz FTMWFFBXLJJART-UHFFFAOYSA-N 1 0 394.454 2.534 20 0 GFADRO CC[NH+](CC)[C@@H]1CCN(c2cc(C)c(-c3nn[nH]n3)c3nc4ccccc4n32)C1 ZINC000821181076 599095345 /nfs/dbraw/zinc/09/53/45/599095345.db2.gz JOIIMZQAXJLSJB-OAHLLOKOSA-N 1 0 390.495 2.897 20 0 GFADRO C[C@@H]1C[N@@H+]([C@@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)CC[C@H]1c1ccccc1 ZINC000736289542 599146789 /nfs/dbraw/zinc/14/67/89/599146789.db2.gz DIDXRZJUBWEWAM-NIKGAXFTSA-N 1 0 376.464 2.519 20 0 GFADRO CC(C)(CCO)C[NH2+]Cc1cccc(OCc2cccc(-c3nn[nH]n3)c2)c1 ZINC000819981235 599156870 /nfs/dbraw/zinc/15/68/70/599156870.db2.gz RYYMIBQNAICVDJ-UHFFFAOYSA-N 1 0 381.480 2.944 20 0 GFADRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)CCc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000821614339 599193906 /nfs/dbraw/zinc/19/39/06/599193906.db2.gz BAURIPADKRSYEJ-HXUWFJFHSA-N 1 0 390.491 2.532 20 0 GFADRO O=C(C=Cc1ccccc1-c1nn[nH]n1)O[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000737803123 599221557 /nfs/dbraw/zinc/22/15/57/599221557.db2.gz RQCNACWCDCTSTR-LENZSSGSSA-N 1 0 375.432 2.698 20 0 GFADRO O=C(CCc1ccc(-c2nn[nH]n2)cc1)O[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000737854007 599222028 /nfs/dbraw/zinc/22/20/28/599222028.db2.gz PWQTZTVMYRDCGK-LJQANCHMSA-N 1 0 377.448 2.617 20 0 GFADRO Cc1c(NC(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)cccc1-c1nn[nH]n1 ZINC000822097283 607280068 /nfs/dbraw/zinc/28/00/68/607280068.db2.gz WJASRDWGHZAWNI-QGZVFWFLSA-N 1 0 383.431 2.739 20 0 GFADRO Cc1ccc([C@H](CNC(=O)Nc2cccc(-c3nn[nH]n3)c2C)[NH+](C)C)cc1 ZINC000822230999 607289302 /nfs/dbraw/zinc/28/93/02/607289302.db2.gz XJNULIKFONIGGF-SFHVURJKSA-N 1 0 379.468 2.908 20 0 GFADRO COCCC[NH+]1CCC(Nc2cc(-c3nn[nH]n3)ccc2C(F)(F)F)CC1 ZINC000821687926 607302498 /nfs/dbraw/zinc/30/24/98/607302498.db2.gz WBGUVDNWSDIMAU-UHFFFAOYSA-N 1 0 384.406 2.798 20 0 GFADRO O=C(Nc1ccc(-c2nn[nH]n2)c(C(F)(F)F)c1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000823303664 599289914 /nfs/dbraw/zinc/28/99/14/599289914.db2.gz QFQYUAMGSCOGMV-GFCCVEGCSA-N 1 0 395.389 2.588 20 0 GFADRO C[C@H](CNc1ccc(-c2nn[nH]n2)cc1F)[NH+]1CCN(c2ccccc2)CC1 ZINC000736025177 598237781 /nfs/dbraw/zinc/23/77/81/598237781.db2.gz DWVJANMQNCSAEN-OAHLLOKOSA-N 1 0 381.459 2.628 20 0 GFADRO C[C@](O)(C[NH+]1CCC(Oc2cccc(-c3nn[nH]n3)c2)CC1)c1ccccc1 ZINC000736136831 598249926 /nfs/dbraw/zinc/24/99/26/598249926.db2.gz IUGFBPCRSSFWGD-NRFANRHFSA-N 1 0 379.464 2.618 20 0 GFADRO C[C@H]1CC[N@H+](CC(=O)Nc2cccc(OCc3cccc(-c4nn[nH]n4)c3)c2)C1 ZINC000736275143 598254310 /nfs/dbraw/zinc/25/43/10/598254310.db2.gz HMWVNXVJABPEAO-HNNXBMFYSA-N 1 0 392.463 2.726 20 0 GFADRO C[C@H](CNC(=S)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)C[NH+]1CCCCC1 ZINC000736025752 598322220 /nfs/dbraw/zinc/32/22/20/598322220.db2.gz MRPGCTQBEJVHRI-GFCCVEGCSA-N 1 0 393.948 2.929 20 0 GFADRO COc1ccc(OC)c(C[NH2+]CCSCc2ccccc2-c2nn[nH]n2)c1 ZINC000737109644 598360669 /nfs/dbraw/zinc/36/06/69/598360669.db2.gz KKTLJGPRJWYOPT-UHFFFAOYSA-N 1 0 385.493 2.907 20 0 GFADRO O=C(CC[N@H+]1CC[C@@H](c2ccccc2F)C1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000737838966 598418318 /nfs/dbraw/zinc/41/83/18/598418318.db2.gz PNNKXZMEAINXMM-OAHLLOKOSA-N 1 0 380.427 2.824 20 0 GFADRO Cc1cc(N2CC[C@@H]([NH+]3CCCC3)C2)n2c3ccccc3nc2c1-c1nn[nH]n1 ZINC000737270994 598420733 /nfs/dbraw/zinc/42/07/33/598420733.db2.gz QAHRODQUNWKOQS-OAHLLOKOSA-N 1 0 388.479 2.651 20 0 GFADRO O=C(C[N@@H+]1CCCC[C@H]1Cc1ccccc1)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000737875145 598422476 /nfs/dbraw/zinc/42/24/76/598422476.db2.gz CKNXKWKQGQUEIJ-FQEVSTJZSA-N 1 0 390.491 2.580 20 0 GFADRO C[C@H]([NH2+]Cc1cnc2c(-c3nn[nH]n3)cnn2c1)c1cc2ccccc2s1 ZINC000736133477 598428882 /nfs/dbraw/zinc/42/88/82/598428882.db2.gz HHKZGBSTIPVYOV-NSHDSACASA-N 1 0 376.449 2.975 20 0 GFADRO C[C@@H]1C[C@@H]1c1ccc(C[NH2+]C2CCN(c3ccc(-c4nn[nH]n4)cn3)CC2)o1 ZINC000736237970 598466475 /nfs/dbraw/zinc/46/64/75/598466475.db2.gz QTYKXDXMRJMAGH-DYVFJYSZSA-N 1 0 379.468 2.737 20 0 GFADRO CCCO[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2oc(C)c(C)c2-c2nn[nH]n2)CC1 ZINC000736489119 598506908 /nfs/dbraw/zinc/50/69/08/598506908.db2.gz UZIMMZWCMMJRED-UKRRQHHQSA-N 1 0 390.488 2.685 20 0 GFADRO c1nn2c(c1-c1nn[nH]n1)NC[C@@H](C[NH2+]CC1(c3ccccc3)CCCCC1)C2 ZINC000738428994 598522304 /nfs/dbraw/zinc/52/23/04/598522304.db2.gz RAWKGFIRZBMZEX-MRXNPFEDSA-N 1 0 392.511 2.597 20 0 GFADRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)N(C)Cc1cccc(-c2nn[nH]n2)c1 ZINC000736456708 598540281 /nfs/dbraw/zinc/54/02/81/598540281.db2.gz HPYUHXVGDIZIIN-GOSISDBHSA-N 1 0 385.516 2.663 20 0 GFADRO O=C(CC1CCCCC1)NC1CC[NH+](Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000737818725 598558910 /nfs/dbraw/zinc/55/89/10/598558910.db2.gz DJXIAJHBJHFUGS-UHFFFAOYSA-N 1 0 382.512 2.918 20 0 GFADRO Brc1cnn(C2CC[NH+](Cc3cccc(-c4nn[nH]n4)c3)CC2)c1 ZINC000735376127 598594522 /nfs/dbraw/zinc/59/45/22/598594522.db2.gz YTTLRLJMFIFHMP-UHFFFAOYSA-N 1 0 388.273 2.663 20 0 GFADRO C[N@@H+]1CCC[C@@H]1C(=O)N(Cc1ccc(-c2nn[nH]n2)cc1)Cc1cccc(F)c1 ZINC000736856056 598627207 /nfs/dbraw/zinc/62/72/07/598627207.db2.gz KRAZMBIUYDXGJS-LJQANCHMSA-N 1 0 394.454 2.629 20 0 GFADRO Fc1ccc(C[N@@H+]2CCC[C@H](c3nnc4n3CCCCC4)C2)c(-c2nn[nH]n2)c1 ZINC000737647063 598679151 /nfs/dbraw/zinc/67/91/51/598679151.db2.gz CKUKHZXJJMKSKC-HNNXBMFYSA-N 1 0 396.474 2.703 20 0 GFADRO Fc1cccc(F)c1CN1CCC[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC000737662335 598713103 /nfs/dbraw/zinc/71/31/03/598713103.db2.gz UVWBXQYWLLMLDH-INIZCTEOSA-N 1 0 384.434 2.899 20 0 GFADRO O=C(NCCCCC[NH+]1CCCCC1)Nc1ccc(F)c(-c2nn[nH]n2)c1 ZINC000738056955 598731284 /nfs/dbraw/zinc/73/12/84/598731284.db2.gz XQPQHMSNNLQMTN-UHFFFAOYSA-N 1 0 375.452 2.784 20 0 GFADRO C[N@H+](CCN1CCCC1=O)Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000736799643 598797215 /nfs/dbraw/zinc/79/72/15/598797215.db2.gz UVKYKRKEVDHCPG-UHFFFAOYSA-N 1 0 376.464 2.588 20 0 GFADRO C[C@@H](c1ccc(-c2nn[nH]n2)cc1)[NH+]1CCN(Cc2cnn(C(C)(C)C)c2)CC1 ZINC000736198351 599316232 /nfs/dbraw/zinc/31/62/32/599316232.db2.gz SLGKEXBHUJNQPH-INIZCTEOSA-N 1 0 394.527 2.697 20 0 GFADRO CC(C)Oc1ccc(-c2nn[nH]n2)cc1NC(=O)c1cccc(C[NH+](C)C)c1 ZINC000735904821 599317302 /nfs/dbraw/zinc/31/73/02/599317302.db2.gz CKAOWJLZXSBUIG-UHFFFAOYSA-N 1 0 380.452 2.968 20 0 GFADRO CCOc1cc2c(cc1C[NH2+]Cc1ccc(OC)c(-c3nn[nH]n3)c1)O[C@@H](C)C2 ZINC000821400747 599395832 /nfs/dbraw/zinc/39/58/32/599395832.db2.gz NHKOEUPJJFODCJ-ZDUSSCGKSA-N 1 0 395.463 2.887 20 0 GFADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NCc1ccc(-c2nn[nH]n2)cc1 ZINC000821399858 599397601 /nfs/dbraw/zinc/39/76/01/599397601.db2.gz CXPQGPHMURKAEK-UHFFFAOYSA-N 1 0 393.495 2.629 20 0 GFADRO CCOc1c(OC)cc(C[NH2+]Cc2ccc(OC)c(-c3nn[nH]n3)c2)cc1OC ZINC000821388957 599422429 /nfs/dbraw/zinc/42/24/29/599422429.db2.gz CGJZJKNCKQJNSW-UHFFFAOYSA-N 1 0 399.451 2.581 20 0 GFADRO COc1cccc(N2CC[C@H](C[NH2+]Cc3ccc(OC)c(-c4nn[nH]n4)c3)C2)c1 ZINC000821871804 599426538 /nfs/dbraw/zinc/42/65/38/599426538.db2.gz DUZDRQZNBMQCLV-MRXNPFEDSA-N 1 0 394.479 2.500 20 0 GFADRO COc1ccc(C[NH2+]Cc2ccnc(N3CCCCCC3)c2)cc1-c1nn[nH]n1 ZINC000821818214 599434110 /nfs/dbraw/zinc/43/41/10/599434110.db2.gz LGPQUOQQEBYLRH-UHFFFAOYSA-N 1 0 393.495 2.941 20 0 GFADRO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)N[C@@H](C)c1cccc(-c2nn[nH]n2)c1 ZINC000821066195 599438930 /nfs/dbraw/zinc/43/89/30/599438930.db2.gz RMHZGOJHEHVAJB-YJBOKZPZSA-N 1 0 385.516 2.882 20 0 GFADRO CC(C)[C@@H](CCO)[NH2+]Cc1cccc(OCc2ccccc2-c2nn[nH]n2)c1 ZINC000820020604 599451209 /nfs/dbraw/zinc/45/12/09/599451209.db2.gz ICNPTLRZZIRHGA-HXUWFJFHSA-N 1 0 381.480 2.942 20 0 GFADRO C[C@@H]1C[C@@H]1[C@@H]([NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1ccc(Cl)cc1 ZINC000820666196 599451371 /nfs/dbraw/zinc/45/13/71/599451371.db2.gz HFCFLKGOZRUIMU-LMMLAZSQSA-N 1 0 398.902 2.745 20 0 GFADRO C[C@@H](C[NH2+]Cc1cnc2ccc(-c3nn[nH]n3)cn12)Oc1cccc(Cl)c1 ZINC000820275285 599453842 /nfs/dbraw/zinc/45/38/42/599453842.db2.gz ONASPLBHMGBSQP-LBPRGKRZSA-N 1 0 383.843 2.725 20 0 GFADRO C[C@H](C[NH2+]Cc1cnc2ccc(-c3nn[nH]n3)cn12)Oc1ccc(Cl)cc1 ZINC000820276743 599461771 /nfs/dbraw/zinc/46/17/71/599461771.db2.gz YEDNXQHJGSJLKV-GFCCVEGCSA-N 1 0 383.843 2.725 20 0 GFADRO C[C@H](C(=O)Nc1ccccc1-c1nn[nH]n1)[N@@H+]1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000735564442 599477564 /nfs/dbraw/zinc/47/75/64/599477564.db2.gz WTBKWRKNWWBEPQ-GDBMZVCRSA-N 1 0 394.454 2.897 20 0 GFADRO O=C(CC[N@H+]1CC[C@@H](Cc2ccc(F)cc2)C1)Nc1cccc(-c2nn[nH]n2)c1 ZINC000737838223 599478421 /nfs/dbraw/zinc/47/84/21/599478421.db2.gz KTISWWRZDQUPOQ-INIZCTEOSA-N 1 0 394.454 2.899 20 0 GFADRO C[C@@H](NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cccc(-c2nn[nH]n2)c1 ZINC000820360338 599481178 /nfs/dbraw/zinc/48/11/78/599481178.db2.gz YFCYIKKHQZOSDL-BEFAXECRSA-N 1 0 391.479 2.501 20 0 GFADRO CC(C)[C@@H](CNCc1cnc2ccc(-c3nn[nH]n3)cn12)[NH+]1CCCCCC1 ZINC000735706462 599484241 /nfs/dbraw/zinc/48/42/41/599484241.db2.gz BADRJTLIDPSUNZ-GOSISDBHSA-N 1 0 382.516 2.505 20 0 GFADRO Clc1ccc2c(CC[NH2+]Cc3cnc4ccc(-c5nn[nH]n5)cn34)c[nH]c2c1 ZINC000737574769 599486623 /nfs/dbraw/zinc/48/66/23/599486623.db2.gz SMULMGADMGCAIL-UHFFFAOYSA-N 1 0 392.854 2.981 20 0 GFADRO CC[C@@H]([NH2+]Cc1cnc2ccc(-c3nn[nH]n3)cn12)c1ccc2c(c1)OCCO2 ZINC000736369360 599486702 /nfs/dbraw/zinc/48/67/02/599486702.db2.gz LCRPXHPUGRFGLB-MRXNPFEDSA-N 1 0 391.435 2.527 20 0 GFADRO Cc1cc(Br)ccc1C[NH2+]Cc1cnc2ccc(-c3nn[nH]n3)cn12 ZINC000737231272 599491181 /nfs/dbraw/zinc/49/11/81/599491181.db2.gz MDLXHLDZGHERGC-UHFFFAOYSA-N 1 0 398.268 2.875 20 0 GFADRO CC[NH+]1CCC(CCNC(=O)Nc2cc(-c3nn[nH]n3)cn2C(C)(C)C)CC1 ZINC000821242842 599550836 /nfs/dbraw/zinc/55/08/36/599550836.db2.gz WTESXKMFHHCJFN-UHFFFAOYSA-N 1 0 388.520 2.667 20 0 GFADRO Cc1ccc(NC(=O)N(CC[NH+](C)C)Cc2ccc(-c3nn[nH]n3)cc2)s1 ZINC000822248385 599551609 /nfs/dbraw/zinc/55/16/09/599551609.db2.gz CTHQIQHUYPQMNE-UHFFFAOYSA-N 1 0 385.497 2.832 20 0 GFADRO CC[N@H+](CCc1ccccc1)Cc1nnc(-c2ccc(-c3nn[nH]n3)cc2)o1 ZINC000821214805 599564008 /nfs/dbraw/zinc/56/40/08/599564008.db2.gz LOMBUHUXRDBWOZ-UHFFFAOYSA-N 1 0 375.436 2.981 20 0 GFADRO CCCO[C@H]1CCC[N@H+](Cc2nnc(-c3ccc(-c4nn[nH]n4)cc3)o2)CC1 ZINC000821128301 599574238 /nfs/dbraw/zinc/57/42/38/599574238.db2.gz SXCWYHCNWSIMGB-INIZCTEOSA-N 1 0 383.456 2.698 20 0 GFADRO C[N@H+](Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)o1)[C@H]1CCc2ccccc2C1 ZINC000821618168 599576766 /nfs/dbraw/zinc/57/67/66/599576766.db2.gz TXQXCAPCGGWJFN-SFHVURJKSA-N 1 0 387.447 2.906 20 0 GFADRO Cc1ccccc1[C@@H]1C[C@@H](C)[N@@H+](CC(=O)Nc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000737419987 599584615 /nfs/dbraw/zinc/58/46/15/599584615.db2.gz GMKCRWJCBQZNJS-NVXWUHKLSA-N 1 0 376.464 2.992 20 0 GFADRO CCc1ccc(N2CC[NH+](CCOc3ccc(-c4nn[nH]n4)cc3)CC2)cc1 ZINC000821487495 599591254 /nfs/dbraw/zinc/59/12/54/599591254.db2.gz UZMHXZOXZJAFKJ-UHFFFAOYSA-N 1 0 378.480 2.630 20 0 GFADRO COc1ccccc1[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2-c2nn[nH]n2)C1 ZINC000737148712 599592604 /nfs/dbraw/zinc/59/26/04/599592604.db2.gz USFSXWQEEKSNLG-LSDHHAIUSA-N 1 0 392.463 2.692 20 0 GFADRO CCO[C@@H]1C[C@H]([N@H+](C)CCC(=O)Nc2cccc(-c3nn[nH]n3)c2)C12CCCC2 ZINC000821359239 599639565 /nfs/dbraw/zinc/63/95/65/599639565.db2.gz MUYWTAKPFZTXAL-ZWKOTPCHSA-N 1 0 398.511 2.865 20 0 GFADRO COc1ccccc1C[C@@H](C)[N@H+](C)CCC(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000821890868 599643143 /nfs/dbraw/zinc/64/31/43/599643143.db2.gz QBGWSLQQJOECNL-OAHLLOKOSA-N 1 0 394.479 2.767 20 0 GFADRO CC[C@@](C)([NH2+]CCOc1ccc(-c2nn[nH]n2)cc1OC)c1nc(C)cs1 ZINC000820854545 599645224 /nfs/dbraw/zinc/64/52/24/599645224.db2.gz XDAYQPNRPYRIRE-GOSISDBHSA-N 1 0 388.497 2.934 20 0 GFADRO CC[C@](C)([NH2+]CCOc1ccc(-c2nn[nH]n2)cc1OC)c1nc(C)cs1 ZINC000820854546 599645243 /nfs/dbraw/zinc/64/52/43/599645243.db2.gz XDAYQPNRPYRIRE-SFHVURJKSA-N 1 0 388.497 2.934 20 0 GFADRO C[C@@H]1C[N@H+](CCC(=O)Nc2ccccc2-c2nn[nH]n2)[C@H](c2ccccc2)CO1 ZINC000820753559 599645411 /nfs/dbraw/zinc/64/54/11/599645411.db2.gz ZHAPSJBQWQYBAE-BEFAXECRSA-N 1 0 392.463 2.657 20 0 GFADRO CCSCC[C@H](C)[N@H+](C)CC(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000821456328 599646400 /nfs/dbraw/zinc/64/64/00/599646400.db2.gz PAJYRKLJRSEMRK-NSHDSACASA-N 1 0 382.921 2.922 20 0 GFADRO FC(F)(F)C1CCC(C[NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)CC1 ZINC000822714172 599647630 /nfs/dbraw/zinc/64/76/30/599647630.db2.gz IHTCNJMWPRNMBM-UHFFFAOYSA-N 1 0 379.390 2.973 20 0 GFADRO C[C@@H]1CC[N@H+](CCOc2ccc(NC(=O)c3sccc3-c3nn[nH]n3)cc2)C1 ZINC000820722232 599654825 /nfs/dbraw/zinc/65/48/25/599654825.db2.gz GFXOMDRCRURTLO-CYBMUJFWSA-N 1 0 398.492 2.901 20 0 GFADRO Cc1cc(-c2nn[nH]n2)ccc1C(=O)OCCCOCCC[NH+]1CCCCC1 ZINC000826252054 607401218 /nfs/dbraw/zinc/40/12/18/607401218.db2.gz MLPDSVACAVSZHX-UHFFFAOYSA-N 1 0 387.484 2.615 20 0 GFADRO CCC[N@@H+]1CC[C@@H](CNC(=O)Nc2ccc(OC(C)C)c(-c3nn[nH]n3)c2)C1 ZINC000821109709 607426442 /nfs/dbraw/zinc/42/64/42/607426442.db2.gz NCZWQGKFHBKYCU-AWEZNQCLSA-N 1 0 387.488 2.507 20 0 GFADRO O=C(C[N@@H+]1CCC[C@@H](Cc2ccccc2)C1)Nc1cccc(-c2nn[nH]n2)c1 ZINC000822996531 607451918 /nfs/dbraw/zinc/45/19/18/607451918.db2.gz GVOXCDKRSWMVHX-KRWDZBQOSA-N 1 0 376.464 2.760 20 0 GFADRO O=C(NCCCCC[NH+]1CCCCC1)NC1(c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000826435946 607458160 /nfs/dbraw/zinc/45/81/60/607458160.db2.gz CHUVNCOGGGYQKX-UHFFFAOYSA-N 1 0 397.527 2.811 20 0 GFADRO C[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)C[C@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC000821609987 607461531 /nfs/dbraw/zinc/46/15/31/607461531.db2.gz UVBMRKXGTDWDPB-QGZVFWFLSA-N 1 0 391.397 2.921 20 0 GFADRO c1ccc2c(c1)nc(N1CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C1)cc2-c1nn[nH]n1 ZINC000823791481 607472349 /nfs/dbraw/zinc/47/23/49/607472349.db2.gz DBXYTTQPOSKKQV-KUHUBIRLSA-N 1 0 375.480 2.868 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1F ZINC000824892267 607473692 /nfs/dbraw/zinc/47/36/92/607473692.db2.gz GEDZXZQZBWXBOV-DOMZBBRYSA-N 1 0 390.463 2.883 20 0 GFADRO CS[C@H]1CCCC[N@@H+]([C@@H](C)C(=O)Nc2oc(C)c(C)c2-c2nn[nH]n2)C1 ZINC000826227955 607475387 /nfs/dbraw/zinc/47/53/87/607475387.db2.gz ZZUKNAZRYMPMHT-AAEUAGOBSA-N 1 0 378.502 2.621 20 0 GFADRO O[C@@H](C[C@H]1CCC[N@@H+]1CCOc1cccc(-c2nn[nH]n2)c1)c1ccc(F)cc1 ZINC000826503282 607476003 /nfs/dbraw/zinc/47/60/03/607476003.db2.gz URGGLICUOKOUKZ-QUCCMNQESA-N 1 0 397.454 2.973 20 0 GFADRO c1cc(C[N@H+](Cc2ccc3c(c2)OCO3)C2CCCC2)cc(-c2nn[nH]n2)n1 ZINC000826515730 607480474 /nfs/dbraw/zinc/48/04/74/607480474.db2.gz JCHJJPPVCYKQNY-UHFFFAOYSA-N 1 0 378.436 2.935 20 0 GFADRO CCCCCC(=O)NC1CC[NH+](Cc2ccc(OC)c(-c3nn[nH]n3)c2)CC1 ZINC000825268664 607490475 /nfs/dbraw/zinc/49/04/75/607490475.db2.gz XROMSWRZBUWGHT-UHFFFAOYSA-N 1 0 386.500 2.536 20 0 GFADRO COc1ccc(C[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCO3)cc1-c1nn[nH]n1 ZINC000826194381 607494722 /nfs/dbraw/zinc/49/47/22/607494722.db2.gz KPCWZXAUJUAHKP-MRXNPFEDSA-N 1 0 379.420 2.941 20 0 GFADRO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCC[N@@H+]1Cc1ccnc(-c2nn[nH]n2)c1 ZINC000824507223 607491765 /nfs/dbraw/zinc/49/17/65/607491765.db2.gz VQZYJZMOQVEFTB-XJKSGUPXSA-N 1 0 387.488 2.529 20 0 GFADRO COc1ccc(C[N@@H+]2CC[C@@H](COCc3ccccc3)C2)cc1-c1nn[nH]n1 ZINC000826194371 607506047 /nfs/dbraw/zinc/50/60/47/607506047.db2.gz KMEAKUIDCPDALC-GOSISDBHSA-N 1 0 379.464 2.914 20 0 GFADRO COC(=O)[C@@H](C)[C@@H]([NH2+]Cc1ccc(OC)c(-c2nn[nH]n2)c1)c1ccccc1 ZINC000826098537 607523873 /nfs/dbraw/zinc/52/38/73/607523873.db2.gz HVBHKKKCBKQHGN-SCLBCKFNSA-N 1 0 381.436 2.515 20 0 GFADRO COC(=O)[C@H](C)[C@H]([NH2+]Cc1ccc(OC)c(-c2nn[nH]n2)c1)c1ccccc1 ZINC000826098535 607523972 /nfs/dbraw/zinc/52/39/72/607523972.db2.gz HVBHKKKCBKQHGN-ACJLOTCBSA-N 1 0 381.436 2.515 20 0 GFADRO COC(=O)[C@H](C)[C@@H]([NH2+]Cc1ccc(OC)c(-c2nn[nH]n2)c1)c1ccccc1 ZINC000826098536 607524211 /nfs/dbraw/zinc/52/42/11/607524211.db2.gz HVBHKKKCBKQHGN-FZKQIMNGSA-N 1 0 381.436 2.515 20 0 GFADRO COc1ccc(-c2nn[nH]n2)cc1C[N@@H+]1CCC[C@H]1c1cccc2c1OCCO2 ZINC000826183629 607524713 /nfs/dbraw/zinc/52/47/13/607524713.db2.gz VNMBFZXEMODBBR-KRWDZBQOSA-N 1 0 393.447 2.984 20 0 GFADRO CCN(C[C@H]1CC[N@H+](Cc2cc(-c3nn[nH]n3)ccc2OC)C1)CC(F)(F)F ZINC000825418182 607636700 /nfs/dbraw/zinc/63/67/00/607636700.db2.gz YDTMGOLVVIYRAX-CYBMUJFWSA-N 1 0 398.433 2.581 20 0 GFADRO COc1ccc(-c2nn[nH]n2)cc1C[N@@H+]1CCCC[C@@H]1[C@H](O)c1ccccc1 ZINC000826183340 607663315 /nfs/dbraw/zinc/66/33/15/607663315.db2.gz MMYHOMKYPSDBDY-UYAOXDASSA-N 1 0 379.464 2.963 20 0 GFADRO C[C@H](c1ccncc1)[NH+]1CCC(Nc2ccc(Cl)c(-c3nn[nH]n3)n2)CC1 ZINC000824777533 607678843 /nfs/dbraw/zinc/67/88/43/607678843.db2.gz JQDZVVKFPATFEX-GFCCVEGCSA-N 1 0 384.875 2.948 20 0 GFADRO c1cc(-c2nc(-c3cccc(C[NH+]4CCCCC4)c3)no2)[nH]c1-c1nn[nH]n1 ZINC000826515854 607685557 /nfs/dbraw/zinc/68/55/57/607685557.db2.gz NLDLXNQLYFGZDE-UHFFFAOYSA-N 1 0 376.424 2.898 20 0 GFADRO Cc1cc(-c2nn[nH]n2)ccc1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000826248150 607702527 /nfs/dbraw/zinc/70/25/27/607702527.db2.gz YIEOSVGCZDWARE-VQIMIIECSA-N 1 0 390.491 2.958 20 0 GFADRO Cc1cc(-c2nn[nH]n2)ccc1C(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000826243506 607709060 /nfs/dbraw/zinc/70/90/60/607709060.db2.gz KUICJOFZWURDRJ-SFHVURJKSA-N 1 0 376.464 2.522 20 0 GFADRO C[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)C[N@@H+]1Cc1cc(F)ccc1-c1nn[nH]n1 ZINC000824884220 607750125 /nfs/dbraw/zinc/75/01/25/607750125.db2.gz MHHVMAZZOFMEOL-OLZOCXBDSA-N 1 0 390.463 2.741 20 0 GFADRO c1cc(-c2nn[nH]n2)sc1C[NH2+]Cc1ccc(COC2CCOCC2)cc1 ZINC000826516202 607752326 /nfs/dbraw/zinc/75/23/26/607752326.db2.gz AMVFAAGFLRBYHB-UHFFFAOYSA-N 1 0 385.493 2.914 20 0 GFADRO C[C@H](C[C@@H]1CCCN1C(=O)[O-])[NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1 ZINC000824766792 605511315 /nfs/dbraw/zinc/51/13/15/605511315.db2.gz DWDBHEWTKJSQES-APWZRJJASA-N 1 0 375.513 2.654 20 0 GFADRO CC[N@H+](CCC(=O)Nc1ccc(-c2nn[nH]n2)cc1)[C@@H](C)c1cccc(O)c1 ZINC000821207305 606070769 /nfs/dbraw/zinc/07/07/69/606070769.db2.gz KQAUVEXZOFQOEX-AWEZNQCLSA-N 1 0 380.452 2.984 20 0 GFADRO C[C@H]1[C@@H](Cc2ccccc2)CC[N@@H+]1CC(=O)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000820643770 606112083 /nfs/dbraw/zinc/11/20/83/606112083.db2.gz ZGGSWFFQJSSXQQ-MAUKXSAKSA-N 1 0 376.464 2.758 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)Nc1cccc(-c2nn[nH]n2)c1)c1ccc(Cl)cc1 ZINC000821579698 606115052 /nfs/dbraw/zinc/11/50/52/606115052.db2.gz KXHGHRVCBNKUIR-INIZCTEOSA-N 1 0 385.859 2.945 20 0 GFADRO C[C@@H](c1ccc([S@@](C)=O)cc1)[N@H+](C)CCOc1ccccc1-c1nn[nH]n1 ZINC000820563300 606159643 /nfs/dbraw/zinc/15/96/43/606159643.db2.gz PSQVGBOGVILILR-PGGUUEOZSA-N 1 0 385.493 2.676 20 0 GFADRO O=S(=O)(CC[N@@H+]1CCC[C@@H]1C1CCCCC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823561555 606186846 /nfs/dbraw/zinc/18/68/46/606186846.db2.gz FIRNVRBUAZAKLX-GOSISDBHSA-N 1 0 389.525 2.685 20 0 GFADRO O[C@@H](C[C@@H]1CCC[N@@H+]1CCOc1ccccc1-c1nn[nH]n1)c1cccs1 ZINC000823672450 606187540 /nfs/dbraw/zinc/18/75/40/606187540.db2.gz DUQYNKAGLOVABU-HOCLYGCPSA-N 1 0 385.493 2.895 20 0 GFADRO O=S(=O)(CC[NH2+][C@H](c1ccccc1)C1CCC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823562885 606188612 /nfs/dbraw/zinc/18/86/12/606188612.db2.gz WHLIWAPKPOXMAN-LJQANCHMSA-N 1 0 397.504 2.771 20 0 GFADRO c1ccc(C2CC2)c(C[NH2+]C2CCN(c3ccc(-c4nn[nH]n4)cn3)CC2)c1 ZINC000823771872 606205103 /nfs/dbraw/zinc/20/51/03/606205103.db2.gz DQLUDLNGDHMMLB-UHFFFAOYSA-N 1 0 375.480 2.898 20 0 GFADRO COc1cc([C@@H](C)[NH2+]Cc2cc(-c3nn[nH]n3)cs2)cc(OC)c1OC ZINC000821707669 606212100 /nfs/dbraw/zinc/21/21/00/606212100.db2.gz BXOVGKJKBLVTJE-SNVBAGLBSA-N 1 0 375.454 2.805 20 0 GFADRO CC[C@H]1C[N@@H+]2CCCC[C@@H]2CN1c1nc(C(F)(F)F)ccc1-c1nn[nH]n1 ZINC000821000228 606226217 /nfs/dbraw/zinc/22/62/17/606226217.db2.gz BDCOTJMMXHACMN-NWDGAFQWSA-N 1 0 381.406 2.734 20 0 GFADRO CCCN(C(=O)c1cc(-c2nn[nH]n2)c[nH]1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000821082093 606318044 /nfs/dbraw/zinc/31/80/44/606318044.db2.gz GKXCYRSZMFAGHJ-SFHVURJKSA-N 1 0 393.495 2.712 20 0 GFADRO CCS[C@H]1CCCC[N@@H+]([C@@H]2CCN(c3sccc3-c3nn[nH]n3)C2=O)C1 ZINC000821454949 606322230 /nfs/dbraw/zinc/32/22/30/606322230.db2.gz HVKVJOCIWDVBKT-GXTWGEPZSA-N 1 0 392.554 2.641 20 0 GFADRO CCCCO[C@@H]1C[C@@H]([NH2+][C@H](C)C(=O)Nc2ccccc2-c2nn[nH]n2)C1(C)C ZINC000821071569 606371772 /nfs/dbraw/zinc/37/17/72/606371772.db2.gz IYEVHISCXVAXBL-KBRIMQKVSA-N 1 0 386.500 2.767 20 0 GFADRO O=C(NC[C@@H]1CCC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1)c1ccccc1 ZINC000823176817 606379461 /nfs/dbraw/zinc/37/94/61/606379461.db2.gz ZJACKMJSKNLTIB-KRWDZBQOSA-N 1 0 376.464 2.509 20 0 GFADRO CCC[NH+]1CCC(N(C)C(=O)Nc2cc(-c3nn[nH]n3)ccc2OCC)CC1 ZINC000821109758 606382146 /nfs/dbraw/zinc/38/21/46/606382146.db2.gz OFNULTMJFLMWMJ-UHFFFAOYSA-N 1 0 387.488 2.604 20 0 GFADRO O=C(Nc1ccc(C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)cc1)c1cccnc1 ZINC000823323658 606415469 /nfs/dbraw/zinc/41/54/69/606415469.db2.gz XZMVCCNAFKZXNX-UHFFFAOYSA-N 1 0 391.460 2.865 20 0 GFADRO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1Cc1ccc(-c2nn[nH]n2)cc1OC(F)F ZINC000820803964 606494391 /nfs/dbraw/zinc/49/43/91/606494391.db2.gz KIWFMIYQZQLAHB-IUODEOHRSA-N 1 0 378.427 2.527 20 0 GFADRO C[C@H]1C[N@H+](CCC(=O)Nc2sc3c(c2-c2nn[nH]n2)CC[C@H](C)C3)C[C@H]1C ZINC000820727943 606503819 /nfs/dbraw/zinc/50/38/19/606503819.db2.gz QVKAUBRQKWSELH-RWMBFGLXSA-N 1 0 388.541 2.969 20 0 GFADRO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@H+]2CCC[C@H]2C)c1-c1nn[nH]n1 ZINC000822016332 606505198 /nfs/dbraw/zinc/50/51/98/606505198.db2.gz XRXZHLLGQJCFNA-GFCCVEGCSA-N 1 0 397.458 2.836 20 0 GFADRO O=C(CC[N@@H+]1CCS[C@H]2CCCC[C@@H]21)Nc1sccc1-c1nn[nH]n1 ZINC000822969566 606528276 /nfs/dbraw/zinc/52/82/76/606528276.db2.gz RFMKRWUKOOWOST-STQMWFEESA-N 1 0 378.527 2.617 20 0 GFADRO CC[NH+](CC)[C@@H](CNC(=O)c1cc(-c2nn[nH]n2)cs1)c1ccsc1 ZINC000821181064 606536590 /nfs/dbraw/zinc/53/65/90/606536590.db2.gz JHZSMGBNGBWHAF-ZDUSSCGKSA-N 1 0 376.511 2.803 20 0 GFADRO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000821189804 606551140 /nfs/dbraw/zinc/55/11/40/606551140.db2.gz UKVYKLKQDYLXOW-UHFFFAOYSA-N 1 0 384.406 2.603 20 0 GFADRO C[N@@H+]1CCC[C@@H](CNC(=O)Cc2cccc(-c3nn[nH]n3)c2)[C@@H]1c1cccs1 ZINC000821623499 606572804 /nfs/dbraw/zinc/57/28/04/606572804.db2.gz MDKCTKZWLKPFTB-QFBILLFUSA-N 1 0 396.520 2.670 20 0 GFADRO C[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(-c3nn[nH]n3)s2)[C@@H]1c1cccs1 ZINC000821623382 606573295 /nfs/dbraw/zinc/57/32/95/606573295.db2.gz KEDGSVQJSDLMCX-XHDPSFHLSA-N 1 0 388.522 2.803 20 0 GFADRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1sccc1-c1nn[nH]n1 ZINC000820759656 606583752 /nfs/dbraw/zinc/58/37/52/606583752.db2.gz MQHKRUHTZQJZNL-BBRMVZONSA-N 1 0 382.493 2.569 20 0 GFADRO CC(C)CN(CC[NH+](C)C)C(=O)Nc1ccc(-c2nn[nH]n2)c(C(F)(F)F)c1 ZINC000820086552 606642509 /nfs/dbraw/zinc/64/25/09/606642509.db2.gz ABZCYASEVLGGRJ-UHFFFAOYSA-N 1 0 399.421 2.937 20 0 GFADRO CC[NH+](CC)[C@H](CNC(=O)c1c(F)cc(-c2nn[nH]n2)cc1F)CC(C)C ZINC000821182769 606682482 /nfs/dbraw/zinc/68/24/82/606682482.db2.gz ZBOYDVMHBDBDGI-ZDUSSCGKSA-N 1 0 380.443 2.631 20 0 GFADRO CC[C@@H]([NH2+]Cc1ccc(-c2nn[nH]n2)cc1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000820925323 606741982 /nfs/dbraw/zinc/74/19/82/606741982.db2.gz GSXUGTQGQYTRKJ-NHCUHLMSSA-N 1 0 392.507 2.636 20 0 GFADRO O=C(O[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000823391961 606750366 /nfs/dbraw/zinc/75/03/66/606750366.db2.gz JPZOXFFHSZFHDH-CQSZACIVSA-N 1 0 385.374 2.576 20 0 GFADRO CC(C)[C@@H](C(=O)Nc1cccc(OCc2cccc(-c3nn[nH]n3)c2)c1)[NH+](C)C ZINC000735691799 606762778 /nfs/dbraw/zinc/76/27/78/606762778.db2.gz PTVSNMMAGDUTKP-IBGZPJMESA-N 1 0 394.479 2.970 20 0 GFADRO CC(=O)Oc1ccc(C[NH+]2CCC(Oc3cccc(-c4nn[nH]n4)c3)CC2)cc1 ZINC000819826017 606821233 /nfs/dbraw/zinc/82/12/33/606821233.db2.gz CSKZJWHDBFTFIW-UHFFFAOYSA-N 1 0 393.447 2.835 20 0 GFADRO O[C@@H](C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2)c1ccc(-c2nn[nH]n2)cc1 ZINC000823681481 606849433 /nfs/dbraw/zinc/84/94/33/606849433.db2.gz DUTGNZISMPGBGI-ROUUACIJSA-N 1 0 393.447 2.508 20 0 GFADRO O[C@H](C[NH2+]CCc1ccc(OC(F)(F)F)cc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823682806 606855149 /nfs/dbraw/zinc/85/51/49/606855149.db2.gz UTJBWKHRNMZOPK-MRXNPFEDSA-N 1 0 393.369 2.631 20 0 GFADRO COc1ccc(C[NH2+][C@H]2C[C@H](C)N(Cc3ccccc3)C2)cc1-c1nn[nH]n1 ZINC000821803137 606868197 /nfs/dbraw/zinc/86/81/97/606868197.db2.gz CDGRXVAYJADSCG-YJBOKZPZSA-N 1 0 378.480 2.628 20 0 GFADRO C[C@@H]1C[C@@H](Nc2nc3c(cc2-c2nn[nH]n2)CCC3)C[N@@H+]1Cc1ccccc1 ZINC000820668758 606875403 /nfs/dbraw/zinc/87/54/03/606875403.db2.gz VZOUYVZBFCKVKX-RHSMWYFYSA-N 1 0 375.480 2.825 20 0 GFADRO Cc1csc(N2CC[N@@H+](CCCOc3cccc(-c4nn[nH]n4)c3)C[C@H]2C)n1 ZINC000822414633 606895959 /nfs/dbraw/zinc/89/59/59/606895959.db2.gz NVXNHPCNTIUFOF-OAHLLOKOSA-N 1 0 399.524 2.611 20 0 GFADRO CN(C)c1cccc([C@@H]2CCC[N@@H+]2C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)c1 ZINC000821589353 606903183 /nfs/dbraw/zinc/90/31/83/606903183.db2.gz KLJYOXKAYJBGBS-PMACEKPBSA-N 1 0 378.480 2.803 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)C[N@@H+]1Cc1ccccc1 ZINC000820659043 606904085 /nfs/dbraw/zinc/90/40/85/606904085.db2.gz VUPUOAULNXZSOW-IUODEOHRSA-N 1 0 398.417 2.538 20 0 GFADRO C[C@H]1C[C@H](NC(=O)Nc2ccc(F)cc2-c2nn[nH]n2)C[N@@H+]1Cc1ccccc1 ZINC000820656590 606907281 /nfs/dbraw/zinc/90/72/81/606907281.db2.gz GRZYQPFUNHISDM-BBRMVZONSA-N 1 0 395.442 2.790 20 0 GFADRO C[N@@H+](Cc1cccc(OC(F)(F)F)c1)C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821614885 606913654 /nfs/dbraw/zinc/91/36/54/606913654.db2.gz YMTTWYJHGHPSBG-MRXNPFEDSA-N 1 0 393.369 2.931 20 0 GFADRO COC(=O)C(C)(C)C[NH2+]Cc1cccc(OCc2cccc(-c3nn[nH]n3)c2)c1 ZINC000821639157 606916319 /nfs/dbraw/zinc/91/63/19/606916319.db2.gz QXBLIKYXWCXTJN-UHFFFAOYSA-N 1 0 395.463 2.735 20 0 GFADRO CCO[C@@H]1C[C@@H]([N@H+](C)CCOc2ccc(-c3nn[nH]n3)cc2OC)C12CCC2 ZINC000821361878 606916859 /nfs/dbraw/zinc/91/68/59/606916859.db2.gz XPIYAJYOFYAERA-QZTJIDSGSA-N 1 0 387.484 2.534 20 0 GFADRO O[C@@H](C[N@@H+]1CCC[C@@H](c2nc3ccccc3o2)C1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823681645 606919766 /nfs/dbraw/zinc/91/97/66/606919766.db2.gz IBAFCIXUGDWKQT-AEFFLSMTSA-N 1 0 390.447 2.921 20 0 GFADRO OCC1CC[NH+](Cc2ccccc2NCc2ccc(F)c(-c3nn[nH]n3)c2)CC1 ZINC000823715076 606930103 /nfs/dbraw/zinc/93/01/03/606930103.db2.gz RDARMTRPNSAJLP-UHFFFAOYSA-N 1 0 396.470 2.822 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000820705018 606936222 /nfs/dbraw/zinc/93/62/22/606936222.db2.gz RKRMVRHHXQTGTD-MRXNPFEDSA-N 1 0 382.512 2.983 20 0 GFADRO CCN1C[C@@H](C[N@H+](C)Cc2ccc(F)c(-c3nn[nH]n3)c2)Oc2ccccc21 ZINC000821242544 606961279 /nfs/dbraw/zinc/96/12/79/606961279.db2.gz VARHXDUBJXSSMY-OAHLLOKOSA-N 1 0 382.443 2.725 20 0 GFADRO O=C(NC1CC[NH+](Cc2ccc(F)c(-c3nn[nH]n3)c2)CC1)c1ccc(F)cc1 ZINC000823155062 606962592 /nfs/dbraw/zinc/96/25/92/606962592.db2.gz NVEZROFRBFNUQT-UHFFFAOYSA-N 1 0 398.417 2.539 20 0 GFADRO COc1cc(OC)cc(N2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)c1 ZINC000821724729 606982664 /nfs/dbraw/zinc/98/26/64/606982664.db2.gz XBNJVSABHKGIIW-UHFFFAOYSA-N 1 0 394.479 2.596 20 0 GFADRO COc1ccc([C@@H](C)[NH2+]Cc2cccc(-c3nn[nH]n3)c2)cc1Cn1cccn1 ZINC000821778133 606997023 /nfs/dbraw/zinc/99/70/23/606997023.db2.gz VGJATTOJCBIFQB-OAHLLOKOSA-N 1 0 389.463 2.971 20 0 GFADRO C[C@@H](CC[NH2+]Cc1cccc(OCc2ccccc2-c2nn[nH]n2)c1)[S@](C)=O ZINC000820243208 607009304 /nfs/dbraw/zinc/00/93/04/607009304.db2.gz YDWCIHDVISFAKO-HBIPHATFSA-N 1 0 399.520 2.692 20 0 GFADRO COc1ccc2c(c1)[C@H]([NH2+]C1CCN(c3ccc(-c4nn[nH]n4)cn3)CC1)CC2 ZINC000821849261 607046991 /nfs/dbraw/zinc/04/69/91/607046991.db2.gz BEVMELITCAELJS-LJQANCHMSA-N 1 0 391.479 2.516 20 0 GFADRO COc1ccccc1[C@@H](C)[NH2+]C1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1 ZINC000821882659 607047228 /nfs/dbraw/zinc/04/72/28/607047228.db2.gz HDPIDLSXAIONEW-CQSZACIVSA-N 1 0 379.468 2.590 20 0 GFADRO O=C(NC1CC[NH+](Cc2cc(F)ccc2-c2nn[nH]n2)CC1)c1ccc(F)cc1 ZINC000823154442 607059303 /nfs/dbraw/zinc/05/93/03/607059303.db2.gz BDNABMYKRWWOSU-UHFFFAOYSA-N 1 0 398.417 2.539 20 0 GFADRO CCCC1(CNC(=O)N2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)CC1 ZINC000821033875 607125154 /nfs/dbraw/zinc/12/51/54/607125154.db2.gz GIEDQIFDTPONIE-UHFFFAOYSA-N 1 0 397.527 2.664 20 0 GFADRO COc1ccc(C[NH2+][C@@H](C)c2ccccc2-n2cccn2)cc1-c1nn[nH]n1 ZINC000821805216 607132164 /nfs/dbraw/zinc/13/21/64/607132164.db2.gz RWUJLCQHEMFXEH-AWEZNQCLSA-N 1 0 375.436 2.912 20 0 GFADRO CCC[C@@H](C)[C@H]1CCC[N@@H+]1CCS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821016720 607147005 /nfs/dbraw/zinc/14/70/05/607147005.db2.gz YWLXVQVADCJNJB-RHSMWYFYSA-N 1 0 377.514 2.541 20 0 GFADRO FC(F)(F)c1ccc(N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)c(-c2nn[nH]n2)c1 ZINC000822724080 607174711 /nfs/dbraw/zinc/17/47/11/607174711.db2.gz YLSNLCBJUGZSLL-CVEARBPZSA-N 1 0 396.417 2.941 20 0 GFADRO COc1cc(N[C@@H]2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C2)cc(OC)c1 ZINC000821720425 607177666 /nfs/dbraw/zinc/17/76/66/607177666.db2.gz REGMFLRZQHXDTL-QGZVFWFLSA-N 1 0 394.479 2.960 20 0 GFADRO Cc1ccc(-c2nn[nH]n2)c(NCc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)n1 ZINC000822215312 607227588 /nfs/dbraw/zinc/22/75/88/607227588.db2.gz VIJBXSCXHYMMQA-IYBDPMFKSA-N 1 0 393.495 2.791 20 0 GFADRO Fc1ccc(Cl)cc1C[NH2+]C1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1 ZINC000826374777 607813042 /nfs/dbraw/zinc/81/30/42/607813042.db2.gz MEOFKQVTCRWHKJ-UHFFFAOYSA-N 1 0 387.850 2.813 20 0 GFADRO O=S(=O)(CC[NH2+]CC1CCCCCCC1)c1cccc(-c2nn[nH]n2)c1 ZINC000826485400 607815688 /nfs/dbraw/zinc/81/56/88/607815688.db2.gz PAVKDMFKLPPQOU-UHFFFAOYSA-N 1 0 377.514 2.591 20 0 GFADRO CC(C)CC[N@H+](CCS(=O)(=O)c1cccc(-c2nn[nH]n2)c1)C1CCCC1 ZINC000824249005 607827817 /nfs/dbraw/zinc/82/78/17/607827817.db2.gz GNYDQSBYONVEPU-UHFFFAOYSA-N 1 0 391.541 2.931 20 0 GFADRO COc1ccc(C[N@H+](Cc2ccccc2)[C@H](CO)C2CC2)cc1-c1nn[nH]n1 ZINC000826193371 607858202 /nfs/dbraw/zinc/85/82/02/607858202.db2.gz BODPGMGHIMXOOH-LJQANCHMSA-N 1 0 379.464 2.648 20 0 GFADRO C[NH+]1CCC([C@@H]2CCN(c3c(-c4nn[nH]n4)cnc4c(F)ccc(F)c43)C2)CC1 ZINC000826022460 607903935 /nfs/dbraw/zinc/90/39/35/607903935.db2.gz NWDYEUHDKGIGNR-CYBMUJFWSA-N 1 0 399.449 2.861 20 0 GFADRO CCC[N@H+](Cc1cccc(C(=O)OC)c1-c1nn[nH]n1)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000825323344 607923690 /nfs/dbraw/zinc/92/36/90/607923690.db2.gz UCPDHYATUGUXSC-JQHSSLGASA-N 1 0 399.495 2.679 20 0 GFADRO Cc1cc(F)cc2c1ncc(-c1nn[nH]n1)c2N[C@H]1C[N@@H+](C)Cc2ccccc21 ZINC000826268045 607936590 /nfs/dbraw/zinc/93/65/90/607936590.db2.gz HSNRDHZROCLVLW-SFHVURJKSA-N 1 0 389.438 2.883 20 0 GFADRO CC[C@@H]1C[N@H+](Cc2ccccc2-c2nn[nH]n2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000825212501 607942180 /nfs/dbraw/zinc/94/21/80/607942180.db2.gz RQAWTXOJGGBOAV-RHSMWYFYSA-N 1 0 386.500 2.992 20 0 GFADRO CC[C@@H]1C[N@H+](Cc2cccc(-c3nn[nH]n3)c2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000825211320 607942325 /nfs/dbraw/zinc/94/23/25/607942325.db2.gz MDMJDCFTRLMJKQ-NVXWUHKLSA-N 1 0 386.500 2.992 20 0 GFADRO C[C@H]([NH2+][C@H]1CCCN(Cc2ccccc2)C1=O)c1cccc(-c2nn[nH]n2)c1 ZINC000824545612 608015411 /nfs/dbraw/zinc/01/54/11/608015411.db2.gz DJHOGPOBHCSDES-KXBFYZLASA-N 1 0 376.464 2.709 20 0 GFADRO Cc1cnn(CCCCC[N@@H+]2CCO[C@H](c3cccc(-c4nn[nH]n4)c3)C2)c1 ZINC000826320446 608072053 /nfs/dbraw/zinc/07/20/53/608072053.db2.gz REIXIVSUEZLASQ-IBGZPJMESA-N 1 0 381.484 2.615 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCCN(c2ccccc2F)C1=O)c1cccc(-c2nn[nH]n2)c1 ZINC000824547858 608110798 /nfs/dbraw/zinc/11/07/98/608110798.db2.gz SZMUJSNNSMPWNH-SUMWQHHRSA-N 1 0 380.427 2.852 20 0 GFADRO Cc1ccc([C@H]2CC[N@@H+]([C@H](C)C(=O)Nc3ccccc3-c3nn[nH]n3)C2)cc1 ZINC000826286097 608126874 /nfs/dbraw/zinc/12/68/74/608126874.db2.gz RXVNQUSMPBLQSY-WBVHZDCISA-N 1 0 376.464 2.992 20 0 GFADRO CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3-c3nn[nH]n3)C[C@H]21 ZINC000824109899 608129704 /nfs/dbraw/zinc/12/97/04/608129704.db2.gz YOKPNYNUTSWVHE-CGTJXYLNSA-N 1 0 398.511 2.992 20 0 GFADRO CC[N@H+](CCC1CCN(C(=O)c2ccc(-c3nn[nH]n3)cc2)CC1)CC1CC1 ZINC000825419053 608202783 /nfs/dbraw/zinc/20/27/83/608202783.db2.gz FIRSXALHUNDHAA-UHFFFAOYSA-N 1 0 382.512 2.841 20 0 GFADRO c1csc(C[NH+]2CCN(c3ccc4cc(-c5nn[nH]n5)ccc4n3)CC2)c1 ZINC000826526247 608222663 /nfs/dbraw/zinc/22/26/63/608222663.db2.gz QKEWLUQUNKBGNR-UHFFFAOYSA-N 1 0 377.477 2.799 20 0 GFADRO C[NH+](C)C1(CNc2ccc3cc(-c4nn[nH]n4)ccc3n2)Cc2ccccc2C1 ZINC000825851656 608229991 /nfs/dbraw/zinc/22/99/91/608229991.db2.gz WZLKSNHYWJMCDU-UHFFFAOYSA-N 1 0 385.475 2.926 20 0 GFADRO CC(C)(C)c1nc(CC[NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)cs1 ZINC000824141972 608242550 /nfs/dbraw/zinc/24/25/50/608242550.db2.gz PTTWPDZPRVEUMC-UHFFFAOYSA-N 1 0 382.497 2.601 20 0 GFADRO C[C@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000824977875 608264887 /nfs/dbraw/zinc/26/48/87/608264887.db2.gz SPDSKVZBVBWPRS-HOTGVXAUSA-N 1 0 391.479 2.993 20 0 GFADRO COC(=O)C(C)(C)[C@@H]1CCC[N@H+](CCCOc2cccc(-c3nn[nH]n3)c2)C1 ZINC000826098509 608265260 /nfs/dbraw/zinc/26/52/60/608265260.db2.gz GWZTWVFSSHJVMH-MRXNPFEDSA-N 1 0 387.484 2.547 20 0 GFADRO C[C@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]CCOc1ccc(-c2nn[nH]n2)cc1 ZINC000824985573 608281444 /nfs/dbraw/zinc/28/14/44/608281444.db2.gz XNFWVCPFPZXCMN-LAUBAEHRSA-N 1 0 392.507 2.746 20 0 GFADRO COc1ccc([C@@H](C)[NH2+]CCOc2ccc(-c3nn[nH]n3)cc2)cc1NC(C)=O ZINC000826188226 608281528 /nfs/dbraw/zinc/28/15/28/608281528.db2.gz QUTDIRCURZFKNE-CYBMUJFWSA-N 1 0 396.451 2.563 20 0 GFADRO COCC[C@H](Cc1cccc(F)c1)[NH2+]CCOc1ccc(-c2nn[nH]n2)cc1 ZINC000826153816 608281811 /nfs/dbraw/zinc/28/18/11/608281811.db2.gz ARTZVIRZDHKABH-GOSISDBHSA-N 1 0 385.443 2.622 20 0 GFADRO c1ccc(CCN2CCC([NH2+]CCOc3ccc(-c4nn[nH]n4)cc3)CC2)cc1 ZINC000826521564 608282272 /nfs/dbraw/zinc/28/22/72/608282272.db2.gz QYWNDZPFZQNTNK-UHFFFAOYSA-N 1 0 392.507 2.542 20 0 GFADRO COCC[N@H+](C)CCCC1CCN(c2c(F)cc(-c3nn[nH]n3)cc2F)CC1 ZINC000826158018 608303681 /nfs/dbraw/zinc/30/36/81/608303681.db2.gz WVIISWNGFZBFBY-UHFFFAOYSA-N 1 0 394.470 2.720 20 0 GFADRO C[N@H+](Cc1cccc(-c2nn[nH]n2)c1)[C@H](CO)c1cccc(Br)c1 ZINC000825977028 608381072 /nfs/dbraw/zinc/38/10/72/608381072.db2.gz WBXGVRCHEPCWCY-MRXNPFEDSA-N 1 0 388.269 2.795 20 0 GFADRO CS[C@H]1CN(c2c(-c3nn[nH]n3)cnc3c(C)cc(C)cc32)C[C@H]1[NH+](C)C ZINC000826227428 608382453 /nfs/dbraw/zinc/38/24/53/608382453.db2.gz QYTSZUFMVBVWJX-CVEARBPZSA-N 1 0 383.525 2.514 20 0 GFADRO O=C(NC[C@@H]1CCC[N@@H+](Cc2cccc(-c3nn[nH]n3)c2F)C1)c1ccccc1 ZINC000826435804 608401981 /nfs/dbraw/zinc/40/19/81/608401981.db2.gz YCTJNYZBMIAYDG-HNNXBMFYSA-N 1 0 394.454 2.648 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@@H+]1Cc1cccc(-c2nn[nH]n2)c1F ZINC000824892776 608411500 /nfs/dbraw/zinc/41/15/00/608411500.db2.gz MNZJKHVYJGVPLP-TZMCWYRMSA-N 1 0 390.463 2.883 20 0 GFADRO C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@@H+]1Cc1cccc(-c2nn[nH]n2)c1F ZINC000824892774 608411588 /nfs/dbraw/zinc/41/15/88/608411588.db2.gz MNZJKHVYJGVPLP-JSGCOSHPSA-N 1 0 390.463 2.883 20 0 GFADRO C[C@H]([NH2+]CC(=O)NCc1cccc(-c2nn[nH]n2)c1)c1cccc2ccccc21 ZINC000824562794 608425505 /nfs/dbraw/zinc/42/55/05/608425505.db2.gz IRHRDHAJGFNEEJ-HNNXBMFYSA-N 1 0 386.459 2.987 20 0 GFADRO CC(C)C[C@H]([NH2+]CC(=O)NCc1cccc(-c2nn[nH]n2)c1)c1ccccc1 ZINC000824236433 608425646 /nfs/dbraw/zinc/42/56/46/608425646.db2.gz NUBUZXLAAYTBQW-IBGZPJMESA-N 1 0 378.480 2.860 20 0 GFADRO C[C@H]([NH2+]CCCOc1cccc(-c2nn[nH]n2)c1)c1ccc(-n2cncn2)cc1 ZINC000824592316 608426992 /nfs/dbraw/zinc/42/69/92/608426992.db2.gz LSNUASYPOMVANA-HNNXBMFYSA-N 1 0 390.451 2.567 20 0 GFADRO CC(=O)Nc1cccc([C@@H](C)[NH2+]CCCOc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000824004623 608432849 /nfs/dbraw/zinc/43/28/49/608432849.db2.gz AIMZRRRSRXBMFQ-CQSZACIVSA-N 1 0 380.452 2.945 20 0 GFADRO CC(C)Oc1ccc([C@@H](C)[NH2+]C[C@H](O)COc2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000824323913 608437839 /nfs/dbraw/zinc/43/78/39/608437839.db2.gz DAAYYSQGURCZHZ-QAPCUYQASA-N 1 0 397.479 2.744 20 0 GFADRO COc1ccc(F)cc1[C@H](C)[NH2+]CCC(=O)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000826209145 608459825 /nfs/dbraw/zinc/45/98/25/608459825.db2.gz ORFPZGUVIMEEBV-LBPRGKRZSA-N 1 0 384.415 2.694 20 0 GFADRO CCN(Cc1ccccc1)C(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000825435175 608461458 /nfs/dbraw/zinc/46/14/58/608461458.db2.gz OIBVHDJLMKMGNR-HZPDHXFCSA-N 1 0 378.480 2.955 20 0 GFADRO Cc1ccccc1OC[C@@H](O)C[N@H+]1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826307696 608462360 /nfs/dbraw/zinc/46/23/60/608462360.db2.gz SUEDTHQNEWYION-FQEVSTJZSA-N 1 0 391.475 2.704 20 0 GFADRO C[C@@H]([NH2+]Cc1cccc(-c2nn[nH]n2)c1F)c1ccc(N2CCOC2=O)cc1 ZINC000824617878 608474210 /nfs/dbraw/zinc/47/42/10/608474210.db2.gz KRKBGKVZCNXYQD-GFCCVEGCSA-N 1 0 382.399 2.813 20 0 GFADRO C[C@@H]([NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)c1ccc(N2CCOC2=O)cc1 ZINC000824612996 608474518 /nfs/dbraw/zinc/47/45/18/608474518.db2.gz QSPHYBBDUVLQDI-GFCCVEGCSA-N 1 0 382.399 2.813 20 0 GFADRO C[C@H]([NH2+]Cc1ccc(F)cc1-c1nn[nH]n1)c1cccc(N2CCCC2=O)c1 ZINC000824619676 608475974 /nfs/dbraw/zinc/47/59/74/608475974.db2.gz YPBRIIFYHZHTFB-ZDUSSCGKSA-N 1 0 380.427 2.983 20 0 GFADRO Cc1cc2ncn(C[C@@H](O)C[NH2+][C@@H](C)c3cccc(-c4nn[nH]n4)c3)c2cc1C ZINC000826272873 608485191 /nfs/dbraw/zinc/48/51/91/608485191.db2.gz FKQYJWOXVNFBDQ-YJBOKZPZSA-N 1 0 391.479 2.545 20 0 GFADRO c1cc(CN2CCC([NH2+][C@@H]3CCCc4cc(-c5nn[nH]n5)ccc43)CC2)ccn1 ZINC000826515967 608502984 /nfs/dbraw/zinc/50/29/84/608502984.db2.gz RLKJMJIEIMVWRV-OAQYLSRUSA-N 1 0 389.507 2.893 20 0 GFADRO Cc1cccc(C(=O)NCC[NH2+][C@H]2CCCc3cc(-c4nn[nH]n4)ccc32)c1 ZINC000826296393 608504222 /nfs/dbraw/zinc/50/42/22/608504222.db2.gz UZUXTMCGZNGGHU-IBGZPJMESA-N 1 0 376.464 2.572 20 0 GFADRO C[N@H+](CCOc1cccc(Cl)c1)Cc1cnc2ccc(-c3nn[nH]n3)cn12 ZINC000825945952 608506051 /nfs/dbraw/zinc/50/60/51/608506051.db2.gz CBSLATGRRLHPOS-UHFFFAOYSA-N 1 0 383.843 2.679 20 0 GFADRO Cc1cc(C)cc([C@@H](C)[NH2+]CCS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)c1 ZINC000826264264 608509479 /nfs/dbraw/zinc/50/94/79/608509479.db2.gz HWXQTFIGKZXWHC-OAHLLOKOSA-N 1 0 385.493 2.608 20 0 GFADRO c1nc2ccc(-c3nn[nH]n3)cn2c1C[N@H+]1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000823867557 608510326 /nfs/dbraw/zinc/51/03/26/608510326.db2.gz CFBQSHHOFPBZPG-UHFFFAOYSA-N 1 0 397.446 2.680 20 0 GFADRO c1ccc(N2CCOCC2)c(C[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)C2CC2)c1 ZINC000826522258 608520275 /nfs/dbraw/zinc/52/02/75/608520275.db2.gz SXIHDHARHFVNMS-UHFFFAOYSA-N 1 0 390.491 2.868 20 0 GFADRO COc1ccc(C2([NH2+]CCC(=O)Nc3sccc3-c3nn[nH]n3)CC2)cc1 ZINC000826190200 608521334 /nfs/dbraw/zinc/52/13/34/608521334.db2.gz SWUIFYWKXZQIDB-UHFFFAOYSA-N 1 0 384.465 2.544 20 0 GFADRO Cc1ccc(S(=O)(=O)CCC[NH2+]C2(c3cccc(-c4nn[nH]n4)c3)CC2)cc1 ZINC000826292845 608529341 /nfs/dbraw/zinc/52/93/41/608529341.db2.gz OHYWBDWKAHZJGG-UHFFFAOYSA-N 1 0 397.504 2.618 20 0 GFADRO Cc1ccccc1C[C@@H](C)NC(=O)C[NH2+]C1(c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000826306945 608529405 /nfs/dbraw/zinc/52/94/05/608529405.db2.gz QTQWZBYJUKADFE-MRXNPFEDSA-N 1 0 390.491 2.501 20 0 GFADRO CC[C@@H]1Oc2cc([C@@H](C)[NH2+]Cc3cc(-c4nn[nH]n4)ccc3F)ccc2NC1=O ZINC000825219104 608538411 /nfs/dbraw/zinc/53/84/11/608538411.db2.gz HNCPXADBBVEEAU-DIFFPNOSSA-N 1 0 396.426 2.966 20 0 GFADRO C[C@H](C(=O)N1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000824906737 608559785 /nfs/dbraw/zinc/55/97/85/608559785.db2.gz DLNOMMJSLVWIAB-OWCLPIDISA-N 1 0 380.496 2.744 20 0 GFADRO CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC000824108417 608578671 /nfs/dbraw/zinc/57/86/71/608578671.db2.gz FRZONZDUGRIFPW-GJZGRUSLSA-N 1 0 376.436 2.541 20 0 GFADRO c1ccc2c(c1)OCC[C@@H]2C[N@@H+]1CCCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000826524555 608586125 /nfs/dbraw/zinc/58/61/25/608586125.db2.gz ZFFZRNDCEHWTCP-QGZVFWFLSA-N 1 0 390.491 2.945 20 0 GFADRO C[C@@H]1COCC[N@H+](Cc2cccc(OCc3cccc(-c4nn[nH]n4)c3)c2)C1 ZINC000825006572 608711600 /nfs/dbraw/zinc/71/16/00/608711600.db2.gz LQGDKLPLQGYMAE-INIZCTEOSA-N 1 0 379.464 2.914 20 0 GFADRO CC1CC[NH+](CCc2cccc(NC(=O)c3ccc(-c4nn[nH]n4)[nH]3)c2)CC1 ZINC000824956480 608824829 /nfs/dbraw/zinc/82/48/29/608824829.db2.gz RXEVGDSENDWAON-UHFFFAOYSA-N 1 0 379.468 2.722 20 0 GFADRO CC1CC[NH+](CCc2cccc(NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)c2)CC1 ZINC000824957760 608824947 /nfs/dbraw/zinc/82/49/47/608824947.db2.gz ZKMAUOWTGFKMIW-UHFFFAOYSA-N 1 0 379.468 2.722 20 0 GFADRO O=C1[C@@H]([NH2+]Cc2cc(-c3nn[nH]n3)cs2)CCN1c1ccc(F)c(Cl)c1 ZINC000826477162 609188597 /nfs/dbraw/zinc/18/85/97/609188597.db2.gz WUMGEYBKXCCHSV-AWEZNQCLSA-N 1 0 392.847 2.616 20 0 GFADRO O=C(Nc1cccc(C[NH+]2CCCCC2)c1)[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000826456474 609196833 /nfs/dbraw/zinc/19/68/33/609196833.db2.gz GNGXXSZFQLASSN-IBGZPJMESA-N 1 0 392.463 2.525 20 0 GFADRO CCCN(C(=O)c1c[nH]c(-c2nn[nH]n2)c1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000825301143 609205097 /nfs/dbraw/zinc/20/50/97/609205097.db2.gz HVFYHLWPPRXGTR-SFHVURJKSA-N 1 0 393.495 2.712 20 0 GFADRO C[C@H](OC(=O)c1cccc(-c2nn[nH]n2)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000824723364 609263830 /nfs/dbraw/zinc/26/38/30/609263830.db2.gz QMBWESWUFJUWOI-HNAYVOBHSA-N 1 0 377.448 2.934 20 0 GFADRO O=C(N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc(Cl)c(-c2nn[nH]n2)c1 ZINC000826429911 609289160 /nfs/dbraw/zinc/28/91/60/609289160.db2.gz PSVUQHPIVKIXFA-MRXNPFEDSA-N 1 0 396.882 2.915 20 0 GFADRO C[C@@H]([NH2+][C@@H](C)c1ccc(-n2cncn2)cc1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824531673 609323155 /nfs/dbraw/zinc/32/31/55/609323155.db2.gz QBJZQJKEWKKKKO-QWHCGFSZSA-N 1 0 378.415 2.998 20 0 GFADRO Cn1cc(C[NH2+]CCOc2ccc(F)cc2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826361861 609335898 /nfs/dbraw/zinc/33/58/98/609335898.db2.gz SJUKOOLFQCPUIO-UHFFFAOYSA-N 1 0 393.426 2.575 20 0 GFADRO CCOc1cccc(C[NH2+]Cc2cn(C)nc2-c2ccc(-c3nn[nH]n3)cc2)c1 ZINC000825649550 609337350 /nfs/dbraw/zinc/33/73/50/609337350.db2.gz RTQDWFNEHMXPKS-UHFFFAOYSA-N 1 0 389.463 2.956 20 0 GFADRO COCc1cccc(C[NH2+]Cc2cn(C)nc2-c2ccc(-c3nn[nH]n3)cc2)c1 ZINC000826164638 609337353 /nfs/dbraw/zinc/33/73/53/609337353.db2.gz JMYKBZUVECAULN-UHFFFAOYSA-N 1 0 389.463 2.703 20 0 GFADRO COc1ccccc1N1CC[C@@H]([NH2+][C@@H](C)c2ccc(-c3nn[nH]n3)cc2F)C1 ZINC000826220388 609340567 /nfs/dbraw/zinc/34/05/67/609340567.db2.gz MNMVLAMBTLIYHL-DZGCQCFKSA-N 1 0 382.443 2.944 20 0 GFADRO C[C@@H]([NH2+]CCCNC(=O)c1cccc(F)c1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824591732 609341131 /nfs/dbraw/zinc/34/11/31/609341131.db2.gz KENBBPVLOMSGHM-GFCCVEGCSA-N 1 0 386.406 2.616 20 0 GFADRO Cc1ccc(-c2nn[nH]n2)cc1NC(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000826277849 609354884 /nfs/dbraw/zinc/35/48/84/609354884.db2.gz JPHYJUDODXUIKD-GOEBONIOSA-N 1 0 383.500 2.950 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)Cc2ccc(-c3nn[nH]n3)cc2Br)[C@H](C)C1 ZINC000825452864 609367327 /nfs/dbraw/zinc/36/73/27/609367327.db2.gz RPEGFSXGQMFVCL-MLGOLLRUSA-N 1 0 393.333 2.791 20 0 GFADRO CC(C)[C@@H]1C[C@@H](C[NH2+]C2CCN(c3ccc(-c4nn[nH]n4)cc3)CC2)CCO1 ZINC000824215316 609440713 /nfs/dbraw/zinc/44/07/13/609440713.db2.gz KYCGBXWOFFNUAY-JXFKEZNVSA-N 1 0 384.528 2.876 20 0 GFADRO C[C@H](NC(=O)Nc1ccc(-c2nn[nH]n2)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000824505229 609447664 /nfs/dbraw/zinc/44/76/64/609447664.db2.gz ABZIEVKLWQISIY-MAUKXSAKSA-N 1 0 391.479 2.899 20 0 GFADRO Cc1c(Cl)cnc(NCC2([NH+]3CCCCC3)CCOCC2)c1-c1nn[nH]n1 ZINC000826239757 609557424 /nfs/dbraw/zinc/55/74/24/609557424.db2.gz PJKPVVDPPQXSQW-UHFFFAOYSA-N 1 0 391.907 2.671 20 0 GFADRO NC(=O)NC(=O)OCCC[N@@H+]1CCC[C@H]1Cc1ccccc1Br ZINC000817276628 660188654 /nfs/dbraw/zinc/18/86/54/660188654.db2.gz KYFAOSMBQSWLPR-ZDUSSCGKSA-N 1 0 384.274 2.651 20 0 GFADRO COCC[N@H+](C)CCOc1cccc(CNc2ncc(Br)cn2)c1 ZINC000524684981 650644799 /nfs/dbraw/zinc/64/47/99/650644799.db2.gz NOKVCVNIGJUFRV-UHFFFAOYSA-N 1 0 395.301 2.808 20 0 GFADRO C[C@H](NC(=O)Nc1cc2ccc(Br)cn2n1)C1=CC[N@H+](C)CC1 ZINC000482237129 650663189 /nfs/dbraw/zinc/66/31/89/650663189.db2.gz IJEDEICBSKRHQZ-NSHDSACASA-N 1 0 378.274 2.869 20 0 GFADRO [NH3+]CC1(NC(=O)Nc2ccn(-c3ccc(Cl)cc3Cl)n2)CCOCC1 ZINC000528684736 650697715 /nfs/dbraw/zinc/69/77/15/650697715.db2.gz ICKQVMPQVGFZRO-UHFFFAOYSA-N 1 0 384.267 2.809 20 0 GFADRO CN(C[C@H](O)COc1ccc(Cl)cc1Br)C[C@@H]1CCC[N@@H+]1C ZINC000817289725 660189291 /nfs/dbraw/zinc/18/92/91/660189291.db2.gz CPGAHYKJZNMSCT-KBPBESRZSA-N 1 0 391.737 2.868 20 0 GFADRO C[C@H](C[N@@H+]1C[C@H](CNC(=O)OC(C)(C)C)[C@H](C)C[C@@H]1C)CS(C)(=O)=O ZINC000817294124 660189304 /nfs/dbraw/zinc/18/93/04/660189304.db2.gz TVHABGKUGMOZPW-WCVJEAGWSA-N 1 0 376.563 2.538 20 0 GFADRO COC1([C@@H](C)[NH2+][C@@H](C)c2ccc(S(=O)(=O)C(F)F)cc2)CCOCC1 ZINC000817586890 660201733 /nfs/dbraw/zinc/20/17/33/660201733.db2.gz CJORZAXJODTXJC-QWHCGFSZSA-N 1 0 377.453 2.918 20 0 GFADRO CS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2nc(C3CC[NH2+]CC3)cs2)c1 ZINC000818006830 660213201 /nfs/dbraw/zinc/21/32/01/660213201.db2.gz MVLSWTRIXFTYSW-UHFFFAOYSA-N 1 0 399.925 2.919 20 0 GFADRO CC(C)(C)NS(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H](C[NH3+])C(C)(C)C)c1 ZINC000818006741 660213216 /nfs/dbraw/zinc/21/32/16/660213216.db2.gz JOUKLQIBLZONEB-CQSZACIVSA-N 1 0 389.949 2.520 20 0 GFADRO CCS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c1 ZINC000818000095 660213224 /nfs/dbraw/zinc/21/32/24/660213224.db2.gz FUAQYTPLRNIGMM-SUMWQHHRSA-N 1 0 384.929 2.738 20 0 GFADRO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(C(=O)[C@@H](O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000818011415 660213375 /nfs/dbraw/zinc/21/33/75/660213375.db2.gz ZPWCBYIMRDKKNL-IXDOHACOSA-N 1 0 387.307 2.772 20 0 GFADRO O=C([C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000818016751 660213955 /nfs/dbraw/zinc/21/39/55/660213955.db2.gz OSZPFGDFXKUSDJ-FZKQIMNGSA-N 1 0 382.291 2.701 20 0 GFADRO O=C1N[C@@]2(CC[N@H+](Cc3ccccc3)C2)C(=O)N1CC[C@@H]1CC1(Cl)Cl ZINC000818082556 660215828 /nfs/dbraw/zinc/21/58/28/660215828.db2.gz NDZJLSKPTWWAOO-RHSMWYFYSA-N 1 0 382.291 2.767 20 0 GFADRO CN(C[C@H](O)C[NH2+]Cc1ccc(Br)s1)C(=O)OC(C)(C)C ZINC000818165408 660218023 /nfs/dbraw/zinc/21/80/23/660218023.db2.gz GNWIZSPCYJLXMH-SNVBAGLBSA-N 1 0 379.320 2.828 20 0 GFADRO Cc1ccc(-n2nc(Br)cc2C(=O)NC2(C)CC[NH2+]CC2)cc1 ZINC000818583733 660229010 /nfs/dbraw/zinc/22/90/10/660229010.db2.gz RGCSRQMERQOQJF-UHFFFAOYSA-N 1 0 377.286 2.815 20 0 GFADRO Brc1cccc(Cc2noc(-c3cn([C@H]4CCC[NH2+]C4)nn3)n2)c1 ZINC000818381049 660224638 /nfs/dbraw/zinc/22/46/38/660224638.db2.gz MJIYXHRFOSTAPI-ZDUSSCGKSA-N 1 0 389.257 2.606 20 0 GFADRO CCCNC(=O)CN1CCC([NH2+]C[C@H](O)c2ccc(Cl)cc2Cl)CC1 ZINC000818954023 660238551 /nfs/dbraw/zinc/23/85/51/660238551.db2.gz PTNKOGADQVBZQK-KRWDZBQOSA-N 1 0 388.339 2.607 20 0 GFADRO Cn1ccnc1[C@@](O)(CC[NH2+]C[C@H](O)c1ccccc1Cl)C(F)(F)F ZINC000818969817 660239505 /nfs/dbraw/zinc/23/95/05/660239505.db2.gz IVSBMYXQZXKLDF-ZFWWWQNUSA-N 1 0 377.794 2.537 20 0 GFADRO CC(C)N1CC[C@@H]([NH2+]C[C@](C)(O)c2ccc(Br)cc2Cl)C1=O ZINC000819073634 660245499 /nfs/dbraw/zinc/24/54/99/660245499.db2.gz WNZYNYVKYITIKD-ZBFHGGJFSA-N 1 0 389.721 2.909 20 0 GFADRO O=C(Cc1cccc(F)c1)NCC[NH2+]C[C@H](O)c1ccc(Br)cc1 ZINC000818990313 660241922 /nfs/dbraw/zinc/24/19/22/660241922.db2.gz HIUSISYARZNLDJ-KRWDZBQOSA-N 1 0 395.272 2.570 20 0 GFADRO Cc1ncc2c(n1)CCC[C@H]2[NH2+]C[C@@H](O)COc1cccc(Br)c1 ZINC000819079417 660245591 /nfs/dbraw/zinc/24/55/91/660245591.db2.gz AAKRSNGRGGRCEK-RHSMWYFYSA-N 1 0 392.297 2.954 20 0 GFADRO Cc1ccc(Cl)c(OC[C@@H](O)C[NH2+]CC[S@](=O)Cc2ccccc2)c1 ZINC000819044433 660244371 /nfs/dbraw/zinc/24/43/71/660244371.db2.gz ZHDXUELVTVKSPD-GKVSMKOHSA-N 1 0 381.925 2.927 20 0 GFADRO CC(C)(C)S(=O)(=O)CC[NH2+]C[C@H](O)COc1ccc(Cl)cc1Cl ZINC000819060648 660244915 /nfs/dbraw/zinc/24/49/15/660244915.db2.gz KFIHSABVBVJUEU-LBPRGKRZSA-N 1 0 384.325 2.536 20 0 GFADRO O[C@@H](C[NH2+]C1CCN(C[C@H]2CCCO2)CC1)c1ccccc1Br ZINC000819063010 660245249 /nfs/dbraw/zinc/24/52/49/660245249.db2.gz VMXXXJUQZOQAEV-QAPCUYQASA-N 1 0 383.330 2.716 20 0 GFADRO C[C@@H](C[NH2+]C[C@@H](O)COc1cccc(Br)c1)CC1(C)OCCO1 ZINC000819095208 660246401 /nfs/dbraw/zinc/24/64/01/660246401.db2.gz BPIJMJDWWRAKSD-UKRRQHHQSA-N 1 0 388.302 2.568 20 0 GFADRO Cn1cc(N2CCC[C@H]([NH2+]C[C@H](O)c3ccc(F)c(Br)c3)C2)cn1 ZINC000819105443 660246750 /nfs/dbraw/zinc/24/67/50/660246750.db2.gz MAJYZTDZZQFTOG-GUYCJALGSA-N 1 0 397.292 2.614 20 0 GFADRO CC(C)OC(=O)[C@@H](C)C[NH2+]C[C@@](C)(O)c1ccc(Br)cc1F ZINC000819116058 660246956 /nfs/dbraw/zinc/24/69/56/660246956.db2.gz MNOGIWVLWQSZSL-MEDUHNTESA-N 1 0 376.266 2.973 20 0 GFADRO CN(C)[C@@]1(C[NH2+]C[C@@](C)(O)c2ccc(Br)cc2F)CCSC1 ZINC000819132351 660247573 /nfs/dbraw/zinc/24/75/73/660247573.db2.gz WDNYJLIYNILTLO-HZPDHXFCSA-N 1 0 391.350 2.823 20 0 GFADRO CC(C)(C[NH2+]C[C@@](C)(O)c1ccc(Br)cc1Cl)S(C)(=O)=O ZINC000819133462 660247580 /nfs/dbraw/zinc/24/75/80/660247580.db2.gz NWMXVHKAZBFJFN-CQSZACIVSA-N 1 0 398.750 2.723 20 0 GFADRO C[C@H](CO[C@H]1CCOC1)[NH2+]C[C@](C)(O)c1ccc(Br)cc1F ZINC000819146726 660248049 /nfs/dbraw/zinc/24/80/49/660248049.db2.gz BZDSTDGXGKTDDR-FFSVYQOJSA-N 1 0 376.266 2.579 20 0 GFADRO Cc1cc(C)cc([C@@H](O)C[NH2+]CCNS(=O)(=O)c2ccc(Cl)s2)c1 ZINC000819186069 660249428 /nfs/dbraw/zinc/24/94/28/660249428.db2.gz NYAHAGUFNNDTIP-AWEZNQCLSA-N 1 0 388.942 2.620 20 0 GFADRO CC(C)(C)OC(=O)N1CC(C[NH2+]C[C@@H](O)c2ccccc2Br)C1 ZINC000819197931 660249828 /nfs/dbraw/zinc/24/98/28/660249828.db2.gz OGPRPKXGOOLZLI-OAHLLOKOSA-N 1 0 385.302 2.939 20 0 GFADRO CCNS(=O)(=O)c1cccc(C[NH2+]C[C@H](O)c2ccc(F)cc2Cl)c1 ZINC000819360581 660256790 /nfs/dbraw/zinc/25/67/90/660256790.db2.gz LEKACOKFTXYLDM-KRWDZBQOSA-N 1 0 386.876 2.601 20 0 GFADRO CS(=O)(=O)c1ccc(C[NH2+]C[C@@H](O)c2ccc(F)cc2F)cc1Cl ZINC000819264115 660252731 /nfs/dbraw/zinc/25/27/31/660252731.db2.gz LPESCGASXKUVIY-OAHLLOKOSA-N 1 0 375.824 2.845 20 0 GFADRO CC(=O)Nc1ccc(C[NH2+]C[C@H](O)c2ccc(F)c(Br)c2)cn1 ZINC000819272212 660253124 /nfs/dbraw/zinc/25/31/24/660253124.db2.gz OUZNGSHSCFNYKQ-HNNXBMFYSA-N 1 0 382.233 2.765 20 0 GFADRO Cc1cc(Br)cc(C)c1N1CCC[C@H]([NH2+]C[C@@H](O)C2CC2)C1=O ZINC000819309685 660254699 /nfs/dbraw/zinc/25/46/99/660254699.db2.gz PHZYQRYCFJWDLU-JKSUJKDBSA-N 1 0 381.314 2.922 20 0 GFADRO O=S1(=O)C[C@@H](C[NH2+]C[C@H](O)c2ccc(Br)cc2)c2ccccc21 ZINC000819337307 660255535 /nfs/dbraw/zinc/25/55/35/660255535.db2.gz MVKAMAGHEWXLBE-CJNGLKHVSA-N 1 0 396.306 2.643 20 0 GFADRO Cn1ccnc1[C@@H]1C[C@@H]([NH2+]C[C@H](O)c2ccc(F)c(Br)c2)CCO1 ZINC000819362007 660257092 /nfs/dbraw/zinc/25/70/92/660257092.db2.gz SJRVOQDGVUMMHE-RCBQFDQVSA-N 1 0 398.276 2.865 20 0 GFADRO Cn1nccc1[C@@H]1C[C@@H]([NH2+]C[C@@H](O)c2cccc(Br)c2)CCO1 ZINC000819352245 660256399 /nfs/dbraw/zinc/25/63/99/660256399.db2.gz DATYQVQZTPZXTG-UAGQMJEPSA-N 1 0 380.286 2.726 20 0 GFADRO CCOC(=O)N1CC[C@@H]([NH2+]CCC(=O)Nc2cccc(Br)c2)C1 ZINC000819238167 660251495 /nfs/dbraw/zinc/25/14/95/660251495.db2.gz BPRMPAMENWIYKB-CQSZACIVSA-N 1 0 384.274 2.598 20 0 GFADRO Cc1cc(N2CCC([NH2+]C[C@H](O)c3ccc(F)c(Br)c3)CC2)n[nH]1 ZINC000819252996 660252094 /nfs/dbraw/zinc/25/20/94/660252094.db2.gz AAJVVKXGJQLAMB-INIZCTEOSA-N 1 0 397.292 2.912 20 0 GFADRO Cc1cc(N2CCC([NH2+]C[C@@H](O)c3cccc(Br)c3)CC2)n[nH]1 ZINC000819253676 660252163 /nfs/dbraw/zinc/25/21/63/660252163.db2.gz IOTFVSALKSMEEG-MRXNPFEDSA-N 1 0 379.302 2.773 20 0 GFADRO COC(=O)[C@H]1C[C@@H]([NH2+]C[C@](C)(O)c2ccc(Br)cc2Cl)C1 ZINC000819371214 660257328 /nfs/dbraw/zinc/25/73/28/660257328.db2.gz YTFZGVRPJHELAP-ISOBSLSZSA-N 1 0 376.678 2.851 20 0 GFADRO CCn1nc(C)c(CNc2cc[nH+]c3cc(OC)c(Br)cc23)n1 ZINC000819937489 660275638 /nfs/dbraw/zinc/27/56/38/660275638.db2.gz ZPSBSYWLJNOBRW-UHFFFAOYSA-N 1 0 376.258 2.960 20 0 GFADRO CCn1ncc(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1Br ZINC000821124989 660316674 /nfs/dbraw/zinc/31/66/74/660316674.db2.gz JDYKLBSQGVFEIS-WFASDCNBSA-N 1 0 381.318 2.754 20 0 GFADRO CC(=O)N1C[C@@H]2C[N@H+](CC(=O)N[C@H](C)c3ccc(Cl)cc3Cl)C[C@@H]2C1 ZINC000821328630 660321334 /nfs/dbraw/zinc/32/13/34/660321334.db2.gz MHJVVNUIVHXXEY-BNOWGMLFSA-N 1 0 384.307 2.581 20 0 GFADRO C[NH+](C)CC(C)(C)NC(=O)c1cc(Br)cnc1Br ZINC000822286180 660342517 /nfs/dbraw/zinc/34/25/17/660342517.db2.gz BZWTYUYUCHYBNM-UHFFFAOYSA-N 1 0 379.096 2.677 20 0 GFADRO C[NH+](C)C1(CNC(=O)[C@@]2(C)CC2(Br)Br)CCCC1 ZINC000822316523 660342889 /nfs/dbraw/zinc/34/28/89/660342889.db2.gz GOHAEMKNNMZQAQ-LLVKDONJSA-N 1 0 382.140 2.873 20 0 GFADRO Cc1ccc(NC(=O)N[C@@H](C)CN(C)CCC[NH+](C)C)c(Br)n1 ZINC000822029867 660338869 /nfs/dbraw/zinc/33/88/69/660338869.db2.gz LZHCXBIUYURBBN-ZDUSSCGKSA-N 1 0 386.338 2.546 20 0 GFADRO O=C(NCCCC[NH+]1CCOCC1)C(F)(F)c1ccccc1Br ZINC000822533980 660347475 /nfs/dbraw/zinc/34/74/75/660347475.db2.gz QSWBKYYAAHFVCQ-UHFFFAOYSA-N 1 0 391.256 2.770 20 0 GFADRO O=C([C@H](O)c1ccc(Cl)c(Cl)c1)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000822836705 660355501 /nfs/dbraw/zinc/35/55/01/660355501.db2.gz KEWZWMYSUPKHCG-WMLDXEAASA-N 1 0 387.307 2.740 20 0 GFADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1cc2c(Br)cccc2cn1 ZINC000822879756 660356417 /nfs/dbraw/zinc/35/64/17/660356417.db2.gz WFIZFROGLAPUDQ-KBPBESRZSA-N 1 0 390.281 2.590 20 0 GFADRO Ic1cnc2c(-c3noc([C@H]4CCCC[NH2+]4)n3)cccn12 ZINC000823115987 660362240 /nfs/dbraw/zinc/36/22/40/660362240.db2.gz OKLAPXWWAJTDEI-SNVBAGLBSA-N 1 0 395.204 2.804 20 0 GFADRO [NH3+]CCCCCc1nc(COc2ccc(I)cc2)no1 ZINC000823168511 660363803 /nfs/dbraw/zinc/36/38/03/660363803.db2.gz VWVXHGHUTGRSMW-UHFFFAOYSA-N 1 0 387.221 2.925 20 0 GFADRO Brc1cccc(-c2nc(-c3noc([C@@H]4C[C@]45CC[NH2+]C5)n3)n[nH]2)c1 ZINC000823184943 660364428 /nfs/dbraw/zinc/36/44/28/660364428.db2.gz KSHJIFUSACXZLL-ZBEGNZNMSA-N 1 0 387.241 2.751 20 0 GFADRO Cc1ccc(NC(=O)N[C@@H](C)CN(C)CCC[NH+](C)C)nc1Br ZINC000823287712 660367534 /nfs/dbraw/zinc/36/75/34/660367534.db2.gz QDFTXPREJNOMES-ZDUSSCGKSA-N 1 0 386.338 2.546 20 0 GFADRO C[C@H]([C@H](C)S(C)(=O)=O)[N@H+](C)C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000823453619 660372452 /nfs/dbraw/zinc/37/24/52/660372452.db2.gz USVMAJJKRVIAEW-LVQVYYBASA-N 1 0 376.563 2.775 20 0 GFADRO C[NH+](C)CCN(Cc1ccsc1)C(=O)c1cc(N)nc(Br)c1 ZINC000823542344 660374516 /nfs/dbraw/zinc/37/45/16/660374516.db2.gz WDWYAENCQADRFI-UHFFFAOYSA-N 1 0 383.315 2.692 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)c1c(Br)nc2n1CCC2)c1cccs1 ZINC000823637432 660377126 /nfs/dbraw/zinc/37/71/26/660377126.db2.gz KPHIOFHDDAOVDC-JTQLQIEISA-N 1 0 383.315 2.686 20 0 GFADRO Brc1cccc2c(C[NH2+]C[C@@H]3CN4CCC[C@@H]4CO3)ccnc12 ZINC000823825560 660380966 /nfs/dbraw/zinc/38/09/66/660380966.db2.gz SVCDOZKQQMUJJY-HUUCEWRRSA-N 1 0 376.298 2.950 20 0 GFADRO O=C(NCCO)C1CC[NH+](Cc2cc3cc(Br)ccc3o2)CC1 ZINC000824560405 660397040 /nfs/dbraw/zinc/39/70/40/660397040.db2.gz GYLZNVVLXQYZLJ-UHFFFAOYSA-N 1 0 381.270 2.516 20 0 GFADRO [NH3+]CCCCCCNS(=O)(=O)c1cc(Br)sc1Cl ZINC000842920192 661360424 /nfs/dbraw/zinc/36/04/24/661360424.db2.gz PQOCOICSCUFRRM-UHFFFAOYSA-N 1 0 375.741 2.961 20 0 GFADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)C(F)(F)c1ccc(Br)cc1 ZINC000824733299 660400174 /nfs/dbraw/zinc/40/01/74/660400174.db2.gz OXFMUWBFIGHJIU-ZIAGYGMSSA-N 1 0 389.240 2.520 20 0 GFADRO CC(C)(Oc1ccc(Br)cc1)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000824731963 660400184 /nfs/dbraw/zinc/40/01/84/660400184.db2.gz AQBJBCCIBJWVPL-ZBFHGGJFSA-N 1 0 397.313 2.586 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)C[C@@H]2C(=O)Nc3c2cccc3Br)C1 ZINC000824774480 660401583 /nfs/dbraw/zinc/40/15/83/660401583.db2.gz XELLKWXPKYRALC-YPMHNXCESA-N 1 0 394.313 2.864 20 0 GFADRO CCOC(=O)C(F)(F)[C@H]1CC[C@H]([NH2+]Cc2cccc(S(C)(=O)=O)c2)C1 ZINC000824790332 660402080 /nfs/dbraw/zinc/40/20/80/660402080.db2.gz RUZSBQLASFVKAD-KBPBESRZSA-N 1 0 375.437 2.547 20 0 GFADRO CCN(C(=O)c1cnn(Cc2ccccc2)c1Br)[C@@H]1CC[N@H+](C)C1 ZINC000824840534 660403356 /nfs/dbraw/zinc/40/33/56/660403356.db2.gz BCULWQKSRFTTOG-OAHLLOKOSA-N 1 0 391.313 2.860 20 0 GFADRO C[C@H](C[NH2+]CCS(=O)(=O)C1CCOCC1)c1cccc(Br)c1 ZINC000824897158 660404387 /nfs/dbraw/zinc/40/43/87/660404387.db2.gz PBMTVOOWAQIAHD-CYBMUJFWSA-N 1 0 390.343 2.736 20 0 GFADRO O=S(=O)(CC[NH2+]Cc1ccc(SC(F)(F)F)cc1)C1CCOCC1 ZINC000824896841 660404417 /nfs/dbraw/zinc/40/44/17/660404417.db2.gz DRHVMOCDTAFWSJ-UHFFFAOYSA-N 1 0 383.457 2.982 20 0 GFADRO O[C@@H](C[NH2+]C1CCN(c2cnccn2)CC1)c1ccccc1Br ZINC000825343017 660421933 /nfs/dbraw/zinc/42/19/33/660421933.db2.gz HKJOKPRIHJOJCP-INIZCTEOSA-N 1 0 377.286 2.531 20 0 GFADRO Cn1ncc(Br)c1C(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000825471981 660429019 /nfs/dbraw/zinc/42/90/19/660429019.db2.gz GKNLEOQOGHALDR-UHFFFAOYSA-N 1 0 383.334 2.957 20 0 GFADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000825516832 660431759 /nfs/dbraw/zinc/43/17/59/660431759.db2.gz CQCZPSGPXHCLQL-LTIDMASMSA-N 1 0 379.298 2.532 20 0 GFADRO C[N@@H+]1CCC[C@@H]2CN(c3ccc(Br)cc3-c3nn[nH]n3)CC[C@@H]21 ZINC000826033507 660448037 /nfs/dbraw/zinc/44/80/37/660448037.db2.gz FSFVMTPPPSIGRB-RISCZKNCSA-N 1 0 377.290 2.550 20 0 GFADRO C[C@@]1(C(=O)NCc2ccc(C[NH3+])cc2F)CC1(Br)Br ZINC000851640942 661827400 /nfs/dbraw/zinc/82/74/00/661827400.db2.gz GZXQVUWADZYACN-LBPRGKRZSA-N 1 0 394.082 2.797 20 0 GFADRO C[NH+](C)CCC[C@@H]1CN(C(=O)c2cc(Br)cnc2C2CC2)CCO1 ZINC000826693735 660461678 /nfs/dbraw/zinc/46/16/78/660461678.db2.gz CKZQAXLCUXBUBU-OAHLLOKOSA-N 1 0 396.329 2.904 20 0 GFADRO COCC[N@H+]1[C@H](C)CN(C(=O)N[C@@H](C)c2ccc(Br)cn2)C[C@@H]1C ZINC000827028870 660475947 /nfs/dbraw/zinc/47/59/47/660475947.db2.gz UHLJZCZFGKMDAO-MJBXVCDLSA-N 1 0 399.333 2.656 20 0 GFADRO Cc1ccc(C(=O)N2CC[C@H]3[C@H](CC[N@H+]3C)C2)cc1I ZINC000827330209 660489375 /nfs/dbraw/zinc/48/93/75/660489375.db2.gz KXAUJBUMCWNMKD-HIFRSBDPSA-N 1 0 384.261 2.766 20 0 GFADRO COc1ccc(CCC(=O)N2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)cc1Br ZINC000827344172 660490324 /nfs/dbraw/zinc/49/03/24/660490324.db2.gz CQOLBDFMZDBAEB-HOCLYGCPSA-N 1 0 381.314 2.943 20 0 GFADRO Cc1cc(Br)ccc1CC(=O)N1CCC([NH+]2CCN(C)CC2)CC1 ZINC000827445359 660496066 /nfs/dbraw/zinc/49/60/66/660496066.db2.gz MLOBNWXZUNHFHV-UHFFFAOYSA-N 1 0 394.357 2.538 20 0 GFADRO CC[NH+](CC)CCCCNC(=O)c1csc(I)n1 ZINC000827515446 660500063 /nfs/dbraw/zinc/50/00/63/660500063.db2.gz HLWXXVVZRPZIGJ-UHFFFAOYSA-N 1 0 381.283 2.600 20 0 GFADRO CC[N@H+](CCNC(=O)[C@@H]1CCO[C@H]1c1cncc(Br)c1)C(C)C ZINC000827590911 660503573 /nfs/dbraw/zinc/50/35/73/660503573.db2.gz GLNNACFNRMUJAS-CVEARBPZSA-N 1 0 384.318 2.768 20 0 GFADRO C[C@@H]1CC[N@H+](CC(=O)N2CC[C@@]3(C)[C@@H](C2)C3(Br)Br)C1 ZINC000855324310 661985192 /nfs/dbraw/zinc/98/51/92/661985192.db2.gz SGKNFHHLKOFESH-WZRBSPASSA-N 1 0 394.151 2.683 20 0 GFADRO CN1CC[NH+](CC2(C)CCN(C(=O)C[C@@]3(C)CC3(Cl)Cl)CC2)CC1 ZINC000828384761 660546100 /nfs/dbraw/zinc/54/61/00/660546100.db2.gz QRMKVCJFOCGOGX-KRWDZBQOSA-N 1 0 376.372 2.837 20 0 GFADRO CS[C@@H]1CN(C(=O)Nc2nnc(Cc3ccccc3)s2)C[C@H]1[NH+](C)C ZINC000612748441 651768287 /nfs/dbraw/zinc/76/82/87/651768287.db2.gz FVIYWGJZJLVIKZ-ZIAGYGMSSA-N 1 0 377.539 2.638 20 0 GFADRO C[C@H](C(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1)c1ccc(I)cc1 ZINC000828511683 660553565 /nfs/dbraw/zinc/55/35/65/660553565.db2.gz NFHRFXBUBFHSRW-DUVNUKRYSA-N 1 0 398.288 2.947 20 0 GFADRO O=C(CCC[NH+]1CCC2(COC(=O)N2)CC1)c1ccc(Br)cc1 ZINC000828786168 660569934 /nfs/dbraw/zinc/56/99/34/660569934.db2.gz VGBMXEYJHFZSOO-UHFFFAOYSA-N 1 0 381.270 2.986 20 0 GFADRO C[C@H]1CCC[N@@H+]1CCNC(=O)c1ccc(I)cc1F ZINC000828839643 660572738 /nfs/dbraw/zinc/57/27/38/660572738.db2.gz GAJFKFRCJFXUGZ-JTQLQIEISA-N 1 0 376.213 2.644 20 0 GFADRO Cc1cc(C(=O)N2CCC([NH2+]C3CCOCC3)CC2)cnc1Br ZINC000829542879 660598586 /nfs/dbraw/zinc/59/85/86/660598586.db2.gz YHAAIKXGVMGNMD-UHFFFAOYSA-N 1 0 382.302 2.526 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)[C@@H]2CCO[C@H]2c2cncc(Br)c2)C1 ZINC000829703965 660608471 /nfs/dbraw/zinc/60/84/71/660608471.db2.gz JKSZQKVBWJVBLH-VQHPVUNQSA-N 1 0 396.329 2.911 20 0 GFADRO CC[NH2+]CCCNC(=O)c1c(F)ccc(I)c1Cl ZINC000870932607 662708893 /nfs/dbraw/zinc/70/88/93/662708893.db2.gz IGKIWGVOBMWGSP-UHFFFAOYSA-N 1 0 384.620 2.813 20 0 GFADRO [NH3+]C1(CNC(=O)Nc2ccn(-c3ccc(Cl)cc3Cl)n2)CCOCC1 ZINC000625874236 652374148 /nfs/dbraw/zinc/37/41/48/652374148.db2.gz AHVPVOQSQPFDFV-UHFFFAOYSA-N 1 0 384.267 2.809 20 0 GFADRO O=C(NCc1ccc(I)c(Cl)c1)[C@H](F)[C@@H]1CC[NH2+]C1 ZINC000876891790 662867596 /nfs/dbraw/zinc/86/75/96/662867596.db2.gz GEIZGGKNBIUTCK-BXKDBHETSA-N 1 0 396.631 2.508 20 0 GFADRO O=S(=O)(CCSCC1CC[NH2+]CC1)c1cccc(Br)c1 ZINC000830483831 660658904 /nfs/dbraw/zinc/65/89/04/660658904.db2.gz MSWBJBSKQBAOPC-UHFFFAOYSA-N 1 0 378.357 2.956 20 0 GFADRO O=C(NCCCC[N@H+]1CCC[C@H]1CO)c1c(Cl)nc2cc(Cl)ccn21 ZINC000830588081 660665841 /nfs/dbraw/zinc/66/58/41/660665841.db2.gz GMJVSPDGLPLTPZ-ZDUSSCGKSA-N 1 0 385.295 2.608 20 0 GFADRO [NH3+]CCCCCCC(=O)NCCOc1ccc(I)cc1 ZINC000832071256 660750988 /nfs/dbraw/zinc/75/09/88/660750988.db2.gz JOGSFNDEXIGFMJ-UHFFFAOYSA-N 1 0 390.265 2.695 20 0 GFADRO O=C(N[C@H]1C[C@H](c2ccc(F)c(Br)c2)C1)c1[nH]nc2c1C[NH2+]CC2 ZINC000832182901 660761091 /nfs/dbraw/zinc/76/10/91/660761091.db2.gz PRTYPJAXBCDEST-XYPYZODXSA-N 1 0 393.260 2.633 20 0 GFADRO CC[NH+]1CCN(c2cccc(NC(=O)c3cc(Br)[nH]n3)c2)CC1 ZINC000832345702 660774105 /nfs/dbraw/zinc/77/41/05/660774105.db2.gz MCQDABMZVGHFRZ-UHFFFAOYSA-N 1 0 378.274 2.566 20 0 GFADRO CC1(O)CCC([NH2+][C@@H](CO)c2ccccc2I)CC1 ZINC000898513810 663654504 /nfs/dbraw/zinc/65/45/04/663654504.db2.gz YDBIBHDDTMBKGB-WPBUFGDCSA-N 1 0 375.250 2.608 20 0 GFADRO CC(=O)Nc1ccc(C[NH+]2CCC(NC(=O)C3SCCS3)CC2)cc1 ZINC000834341605 660814987 /nfs/dbraw/zinc/81/49/87/660814987.db2.gz GCJXKFFDJZRHJR-UHFFFAOYSA-N 1 0 379.551 2.532 20 0 GFADRO C[C@](O)(C[NH2+]C[C@@H](O)COc1ccccc1)c1ccc(Br)cc1F ZINC000834363329 660816500 /nfs/dbraw/zinc/81/65/00/660816500.db2.gz ZPECTSRIFQLIED-KDOFPFPSSA-N 1 0 398.272 2.825 20 0 GFADRO CC(C)C[C@H](N[C@H](C)c1nc(Br)cs1)C(=O)NCC[NH+](C)C ZINC000834733595 660831543 /nfs/dbraw/zinc/83/15/43/660831543.db2.gz PBTVVLADDVYVCM-NEPJUHHUSA-N 1 0 391.379 2.649 20 0 GFADRO Cc1[nH]c(=O)c(Br)cc1C(=O)NC1CCC(C)([NH+]2CCC2)CC1 ZINC000834780263 660832936 /nfs/dbraw/zinc/83/29/36/660832936.db2.gz KKGOOXVGMWGWDI-UHFFFAOYSA-N 1 0 382.302 2.995 20 0 GFADRO [NH3+]CCCN(Cc1ccccc1)C(=O)c1cccnc1I ZINC000834690841 660830300 /nfs/dbraw/zinc/83/03/00/660830300.db2.gz DYJPUJOEUBKTIW-UHFFFAOYSA-N 1 0 395.244 2.677 20 0 GFADRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)NC[C@@H](O)c2ccccc2Br)C1 ZINC000836345987 660900751 /nfs/dbraw/zinc/90/07/51/660900751.db2.gz QJOVRQCLZLINRB-XJKSGUPXSA-N 1 0 384.318 2.512 20 0 GFADRO C[C@@H](CNC(=O)NC[C@@H](O)c1ccccc1Br)[NH+]1CCCCC1 ZINC000836346196 660900884 /nfs/dbraw/zinc/90/08/84/660900884.db2.gz SJRMOBJTHSUKJP-XJKSGUPXSA-N 1 0 384.318 2.656 20 0 GFADRO C[C@H](NC(=O)NC[C@@H](O)c1ccccc1Br)C(C)(C)C[NH+](C)C ZINC000836351579 660901282 /nfs/dbraw/zinc/90/12/82/660901282.db2.gz KJCPSDDQBZKRSY-SWLSCSKDSA-N 1 0 386.334 2.758 20 0 GFADRO C[NH+](C)CCN(Cc1ccccn1)C(=O)Nc1ccnc(Br)c1 ZINC000836691829 660930674 /nfs/dbraw/zinc/93/06/74/660930674.db2.gz BEOJRPNARJUEIO-UHFFFAOYSA-N 1 0 378.274 2.835 20 0 GFADRO Cc1cc(Br)nc(NC(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)c1 ZINC000836766200 660941327 /nfs/dbraw/zinc/94/13/27/660941327.db2.gz IPUOCAAOCQUQJY-ZDUSSCGKSA-N 1 0 385.306 2.775 20 0 GFADRO C[N@H+](CCOc1ccc(Br)cc1)Cc1cc(=O)n2ccccc2n1 ZINC000015448724 654510160 /nfs/dbraw/zinc/51/01/60/654510160.db2.gz IMLMTAANJDNVBO-UHFFFAOYSA-N 1 0 388.265 2.968 20 0 GFADRO Brc1cc2c(cc1C[NH2+]CCc1nnc3ccccn31)OCO2 ZINC000017319068 654520599 /nfs/dbraw/zinc/52/05/99/654520599.db2.gz NSHJWBNEZOVJRK-UHFFFAOYSA-N 1 0 375.226 2.553 20 0 GFADRO S=C(Nc1cccc(Br)c1)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000023477000 654538476 /nfs/dbraw/zinc/53/84/76/654538476.db2.gz JAQPGCIYIRGEGF-UHFFFAOYSA-N 1 0 397.386 2.859 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)CN1C(=S)N=NC1c1cccs1)c1ccsc1 ZINC000025331058 654548485 /nfs/dbraw/zinc/54/84/85/654548485.db2.gz ODLFHODESXJIOP-LBPRGKRZSA-N 1 0 393.563 2.776 20 0 GFADRO CCCS(=O)(=O)N1CCC([NH2+]Cc2ccc(Br)cc2)CC1 ZINC000037142885 654614278 /nfs/dbraw/zinc/61/42/78/654614278.db2.gz LDHDDRKPJVIWFL-UHFFFAOYSA-N 1 0 375.332 2.743 20 0 GFADRO O=C(c1cccc(I)c1)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037917264 654616220 /nfs/dbraw/zinc/61/62/20/654616220.db2.gz VWNRHUOZTWDOAE-HIFRSBDPSA-N 1 0 384.261 2.895 20 0 GFADRO CCS(=O)(=O)N1CCC([NH2+][C@@H](C)c2ccc(Br)s2)CC1 ZINC000038002144 654616382 /nfs/dbraw/zinc/61/63/82/654616382.db2.gz PCINTVIHXVJWHP-JTQLQIEISA-N 1 0 381.361 2.975 20 0 GFADRO C[S@](=O)Cc1cccc(C(=O)NCC2([NH+]3CCSCC3)CCCC2)c1 ZINC000041423534 654626915 /nfs/dbraw/zinc/62/69/15/654626915.db2.gz GEZQMYXTWHELTG-RUZDIDTESA-N 1 0 380.579 2.657 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)NC[C@@H](C)[NH+]1CCCC1 ZINC000041597910 654627557 /nfs/dbraw/zinc/62/75/57/654627557.db2.gz RZZXFMGNQRMHHD-CYBMUJFWSA-N 1 0 382.302 2.605 20 0 GFADRO C[C@H]1C[NH+](CCCNC(=O)N(C)Cc2ccc(Br)o2)C[C@H](C)O1 ZINC000045455026 654668440 /nfs/dbraw/zinc/66/84/40/654668440.db2.gz ZUINJBNHMYQUTM-STQMWFEESA-N 1 0 388.306 2.683 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1c(Br)nc2n1CCCC2 ZINC000837318185 660986096 /nfs/dbraw/zinc/98/60/96/660986096.db2.gz XFVJTYXVHXROKD-CYBMUJFWSA-N 1 0 383.334 2.976 20 0 GFADRO O=C(Cc1ccc(Br)cc1)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000047633039 654698034 /nfs/dbraw/zinc/69/80/34/654698034.db2.gz YGNALACEUORLPC-QGZVFWFLSA-N 1 0 381.314 2.705 20 0 GFADRO Cc1cc(Br)ccc1C(=O)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000048229196 654704039 /nfs/dbraw/zinc/70/40/39/654704039.db2.gz SEMHLQUCBOVQFE-UHFFFAOYSA-N 1 0 380.330 2.611 20 0 GFADRO CN(C[C@@H](O)c1ccccc1Br)C(=O)NCCC[NH+]1CCCC1 ZINC000837388056 660991741 /nfs/dbraw/zinc/99/17/41/660991741.db2.gz LCDHDJOJUOGSPK-MRXNPFEDSA-N 1 0 384.318 2.610 20 0 GFADRO CC[NH+](CC)[C@@H](CNC(=O)NC[C@H](O)C(F)(F)F)c1ccccc1Cl ZINC000048740636 654712259 /nfs/dbraw/zinc/71/22/59/654712259.db2.gz DELHGVTZMSTQRW-KBPBESRZSA-N 1 0 381.826 2.945 20 0 GFADRO O=C(C[NH2+]C1(c2ccc(Br)cc2)CCOCC1)Nc1nncs1 ZINC000052834000 654740453 /nfs/dbraw/zinc/74/04/53/654740453.db2.gz FUYAMPHPWJDTCX-UHFFFAOYSA-N 1 0 397.298 2.535 20 0 GFADRO Cc1noc([C@@H]2CCC[N@H+](C[C@H](O)COc3ccc(Br)cc3)C2)n1 ZINC000052862233 654740989 /nfs/dbraw/zinc/74/09/89/654740989.db2.gz FBYIBHIKUUGPBU-HIFRSBDPSA-N 1 0 396.285 2.760 20 0 GFADRO C[C@H]1C[C@H](N(C)C(=O)c2csc(I)c2)CC[N@@H+]1C ZINC000123485797 654757224 /nfs/dbraw/zinc/75/72/24/654757224.db2.gz UOPLMIYJHMOGHQ-GXSJLCMTSA-N 1 0 378.279 2.907 20 0 GFADRO CC[NH+]1CCN([C@H]2CCN(C(=O)c3cc(C)cc(C)c3Br)C2)CC1 ZINC000123492286 654757471 /nfs/dbraw/zinc/75/74/71/654757471.db2.gz XSTLIXHRPYMGRD-INIZCTEOSA-N 1 0 394.357 2.918 20 0 GFADRO C[NH+]1CCC(NC(=O)[C@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000054147768 654757584 /nfs/dbraw/zinc/75/75/84/654757584.db2.gz AKWARBVKPXLQRX-MRXNPFEDSA-N 1 0 384.307 2.808 20 0 GFADRO C[NH+]1CCC(NC(=O)[C@H]2CCCN2C(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000054147857 654757613 /nfs/dbraw/zinc/75/76/13/654757613.db2.gz PZFANFTVEWXFQG-MRXNPFEDSA-N 1 0 384.307 2.808 20 0 GFADRO C[C@H](Cc1ccc(Br)cc1)C(=O)NCCCC[NH+]1CCOCC1 ZINC000123697937 654761063 /nfs/dbraw/zinc/76/10/63/654761063.db2.gz PBQIMPWDLWXLNN-OAHLLOKOSA-N 1 0 383.330 2.856 20 0 GFADRO O=c1cc(C[N@H+](C[C@@H]2CCCO2)[C@@H]2CCSC2)nc2ccc(Cl)cn12 ZINC000123721728 654761544 /nfs/dbraw/zinc/76/15/44/654761544.db2.gz JQMAXKCCAIMPIR-CVEARBPZSA-N 1 0 379.913 2.834 20 0 GFADRO C[C@@H]1C[C@@H](N(C)C(=O)CSc2nnc(-c3cccs3)n2C)CC[N@@H+]1C ZINC000123760067 654762700 /nfs/dbraw/zinc/76/27/00/654762700.db2.gz LICHLSHAGPYFOH-OLZOCXBDSA-N 1 0 379.555 2.577 20 0 GFADRO CCOC(=O)CC[N@H+](Cn1nc(Br)c(=O)c2ccccc21)C1CC1 ZINC000123911858 654765654 /nfs/dbraw/zinc/76/56/54/654765654.db2.gz TXZIKSVTJSXZHT-UHFFFAOYSA-N 1 0 394.269 2.534 20 0 GFADRO C[C@H]1C[C@@H](NS(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)C[N@@H+]1C1CC1 ZINC000123979619 654767687 /nfs/dbraw/zinc/76/76/87/654767687.db2.gz HDMABZGGGPGJNJ-VHSXEESVSA-N 1 0 380.844 2.845 20 0 GFADRO CCOc1ccc(S(=O)(=O)NC(CC)(CC)C[NH3+])cc1Br ZINC000124070509 654770499 /nfs/dbraw/zinc/77/04/99/654770499.db2.gz OCCVFDAPOKSLCQ-UHFFFAOYSA-N 1 0 379.320 2.644 20 0 GFADRO C[C@H]1CCCC[N@@H+]1CCCNC(=O)CN1C(=S)N=NC1c1cccs1 ZINC000055193571 654770565 /nfs/dbraw/zinc/77/05/65/654770565.db2.gz XXQZBXVVSOWWJM-ZDUSSCGKSA-N 1 0 379.555 2.676 20 0 GFADRO C[C@@H]1C[C@H](NS(=O)(=O)/C=C/c2ccc(Br)cc2)C[N@@H+]1C1CC1 ZINC000124087006 654770760 /nfs/dbraw/zinc/77/07/60/654770760.db2.gz CYEJMKSTAMNBTL-XWPAEANOSA-N 1 0 385.327 2.964 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)N(C)CC[NH+]1CCCC1 ZINC000124344698 654774719 /nfs/dbraw/zinc/77/47/19/654774719.db2.gz ROEQHHMYWVRIJL-UHFFFAOYSA-N 1 0 382.302 2.559 20 0 GFADRO CC[NH+]1CCC(NC(=O)c2ccc(F)c(I)c2)CC1 ZINC000124513942 654777227 /nfs/dbraw/zinc/77/72/27/654777227.db2.gz FVOUSDKGCURWLS-UHFFFAOYSA-N 1 0 376.213 2.644 20 0 GFADRO C[C@H]1C[C@H](N(C)C(=O)c2cc(=O)[nH]c3ccc(Br)cc32)CC[N@@H+]1C ZINC000124549036 654778131 /nfs/dbraw/zinc/77/81/31/654778131.db2.gz PZKDUBSJNJXPEF-WCQYABFASA-N 1 0 392.297 2.845 20 0 GFADRO C[NH+](C)CCn1nnnc1SCc1nc(-c2c(F)cccc2F)cs1 ZINC000124623334 654779854 /nfs/dbraw/zinc/77/98/54/654779854.db2.gz HZTDYDRSVKYGRO-UHFFFAOYSA-N 1 0 382.465 2.929 20 0 GFADRO CC(C)[N@@H+]1CCCC[C@@H]1COC(=O)c1cc(S(N)(=O)=O)cc(Cl)c1F ZINC000837593177 661006702 /nfs/dbraw/zinc/00/67/02/661006702.db2.gz NYSUULJNOFTLKL-LLVKDONJSA-N 1 0 392.880 2.546 20 0 GFADRO O=C(CC[N@@H+]1CCCC[C@H]1[C@H]1CNC(=O)C1)Nc1cccc(Br)c1 ZINC000124985218 654785628 /nfs/dbraw/zinc/78/56/28/654785628.db2.gz CNBKJSWOOPJEBL-CJNGLKHVSA-N 1 0 394.313 2.768 20 0 GFADRO O=C(C[N@H+]1CCCN(Cc2ccccc2Br)CC1)N1CCCC1 ZINC000125028715 654786916 /nfs/dbraw/zinc/78/69/16/654786916.db2.gz OVMYXGHATJGDPE-UHFFFAOYSA-N 1 0 380.330 2.579 20 0 GFADRO Cc1cc(NC(=O)C[N@@H+]2CCCC[C@H]2[C@H]2CNC(=O)C2)ccc1Br ZINC000125437993 654794456 /nfs/dbraw/zinc/79/44/56/654794456.db2.gz DUUYYTFDVHFNPN-CJNGLKHVSA-N 1 0 394.313 2.687 20 0 GFADRO O=C(NC1CC1)C1CC[NH+](C[C@@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000056511266 654796284 /nfs/dbraw/zinc/79/62/84/654796284.db2.gz BPNRSCUFMXSDEC-OAHLLOKOSA-N 1 0 387.307 2.724 20 0 GFADRO CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+][C@@H]2CCN(CC(F)(F)F)C2)cc1 ZINC000125834092 654803473 /nfs/dbraw/zinc/80/34/73/654803473.db2.gz QAALPQSVGMIWFG-SWLSCSKDSA-N 1 0 379.448 2.735 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)Cn1c(=S)[nH]nc1-c1ccc(Cl)cc1)C1CC1 ZINC000125996848 654806201 /nfs/dbraw/zinc/80/62/01/654806201.db2.gz BFMBVRXLYHZXAP-AWEZNQCLSA-N 1 0 379.917 2.717 20 0 GFADRO C[C@H](CNC(=O)[C@]12CCC(=O)N1c1cc(Cl)ccc1S2)[N@H+](C)C1CC1 ZINC000057700888 654808338 /nfs/dbraw/zinc/80/83/38/654808338.db2.gz BRZISILBIRATFZ-ADLMAVQZSA-N 1 0 379.913 2.868 20 0 GFADRO O=c1cc(C[N@H+]2CC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)[nH]c2ccnn21 ZINC000126156210 654809300 /nfs/dbraw/zinc/80/93/00/654809300.db2.gz HOIPYIWQJBGSGW-CYBMUJFWSA-N 1 0 379.247 2.983 20 0 GFADRO Cc1ccc(Br)c(S(=O)(=O)NC[C@H](C)C[NH+]2CCCC2)c1 ZINC000126597804 654816061 /nfs/dbraw/zinc/81/60/61/654816061.db2.gz VFUJEHBXSKISQG-ZDUSSCGKSA-N 1 0 375.332 2.768 20 0 GFADRO O[C@H](CNCc1cc(Br)ccc1OC(F)F)C[NH+]1CCCC1 ZINC000060270325 654827140 /nfs/dbraw/zinc/82/71/40/654827140.db2.gz LUFNSDKAIIWLDX-CYBMUJFWSA-N 1 0 379.245 2.597 20 0 GFADRO C[C@H](CCS(C)(=O)=O)[NH2+][C@H](C)CC(=O)Nc1ccc(Br)cc1 ZINC000127397879 654828818 /nfs/dbraw/zinc/82/88/18/654828818.db2.gz YUANZIKSNOVUCX-VXGBXAGGSA-N 1 0 391.331 2.579 20 0 GFADRO C[C@@H](CNC(=O)N(C)C[C@H](O)c1ccccc1Br)[NH+]1CCCCC1 ZINC000837767249 661015325 /nfs/dbraw/zinc/01/53/25/661015325.db2.gz LTEPPZUIHYSMEN-YOEHRIQHSA-N 1 0 398.345 2.998 20 0 GFADRO C[NH+]1CCN(CCNC(=O)/C=C(/c2ccc(Cl)cc2)C(F)(F)F)CC1 ZINC000127524234 654831318 /nfs/dbraw/zinc/83/13/18/654831318.db2.gz DCCDZYNWYZPKAT-QINSGFPZSA-N 1 0 375.822 2.649 20 0 GFADRO Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1C[NH2+]CCN1CCOCC1 ZINC000061003288 654835091 /nfs/dbraw/zinc/83/50/91/654835091.db2.gz XKVUCUVUYMKSTE-UHFFFAOYSA-N 1 0 383.323 2.968 20 0 GFADRO O=C(CCOc1cccc(Br)c1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000061210351 654837452 /nfs/dbraw/zinc/83/74/52/654837452.db2.gz USCAHXLCJUMMDT-UHFFFAOYSA-N 1 0 390.281 2.962 20 0 GFADRO CCN1CC[NH+](CCCCNC(=O)Nc2ccc(Br)c(C)n2)CC1 ZINC000128353232 654844281 /nfs/dbraw/zinc/84/42/81/654844281.db2.gz QCLKBGUHMTUKRL-UHFFFAOYSA-N 1 0 398.349 2.692 20 0 GFADRO Cc1ccc(C[NH2+]Cc2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)s1 ZINC000062254125 654844451 /nfs/dbraw/zinc/84/44/51/654844451.db2.gz YTVCGULGLLGNGX-INIZCTEOSA-N 1 0 380.535 2.804 20 0 GFADRO CCN(CCC[NH2+][C@H]1CCc2ccc(OC(F)(F)F)cc21)S(C)(=O)=O ZINC000128378698 654845116 /nfs/dbraw/zinc/84/51/16/654845116.db2.gz QMKVZZVTLZHNTP-HNNXBMFYSA-N 1 0 380.432 2.834 20 0 GFADRO O=C(NCc1cc2c(c(Br)c1)OCO2)NC1CC[NH+](C2CC2)CC1 ZINC000063614468 654855021 /nfs/dbraw/zinc/85/50/21/654855021.db2.gz YXUAQKBSFYWTOV-UHFFFAOYSA-N 1 0 396.285 2.604 20 0 GFADRO C[C@@H](CNC(=O)c1ccc(-n2cc(Br)cn2)cc1)[NH+]1CCCC1 ZINC000063732906 654856736 /nfs/dbraw/zinc/85/67/36/654856736.db2.gz HFXJLNOVVZPVCR-ZDUSSCGKSA-N 1 0 377.286 2.849 20 0 GFADRO C[C@H](CNC(=O)Cc1csc(NC(=O)c2cccs2)n1)[NH+]1CCCC1 ZINC000063733215 654856776 /nfs/dbraw/zinc/85/67/76/654856776.db2.gz VSDPWEZCXMWTDV-GFCCVEGCSA-N 1 0 378.523 2.600 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)c1ccc(Cl)c(S(C)(=O)=O)c1)C1CCCCC1 ZINC000063804415 654858558 /nfs/dbraw/zinc/85/85/58/654858558.db2.gz GFHFRLDWVLNWMR-MRXNPFEDSA-N 1 0 386.945 2.984 20 0 GFADRO Cn1cc([C@H](O)C[NH2+]Cc2cc(Br)ccc2OC(F)F)cn1 ZINC000266164013 654860141 /nfs/dbraw/zinc/86/01/41/654860141.db2.gz ORAVBWCYTYKAST-GFCCVEGCSA-N 1 0 376.201 2.607 20 0 GFADRO COc1ccc(S(=O)(=O)N(C)C[C@H]2CCC[N@H+](C)C2)c(Cl)c1Cl ZINC000266213541 654863830 /nfs/dbraw/zinc/86/38/30/654863830.db2.gz VNACFBRUNDBLJV-NSHDSACASA-N 1 0 381.325 2.964 20 0 GFADRO Cc1cc(Br)c(S(=O)(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)s1 ZINC000266249478 654866275 /nfs/dbraw/zinc/86/62/75/654866275.db2.gz XLITWHBSDLTCNH-ONGXEEELSA-N 1 0 381.361 2.922 20 0 GFADRO C[C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000129552812 654866629 /nfs/dbraw/zinc/86/66/29/654866629.db2.gz BIBQMRYXGSSBHU-ZIAGYGMSSA-N 1 0 386.323 2.975 20 0 GFADRO COc1ccc(S(=O)(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)c(Cl)c1Cl ZINC000266256540 654866664 /nfs/dbraw/zinc/86/66/64/654866664.db2.gz XZSKVIAEXLUKOA-SNVBAGLBSA-N 1 0 379.309 2.765 20 0 GFADRO O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccc(F)c(Br)c1 ZINC000266293617 654869574 /nfs/dbraw/zinc/86/95/74/654869574.db2.gz JFDGWULWZLSOQN-LBPRGKRZSA-N 1 0 385.277 2.819 20 0 GFADRO Cc1c(Br)cccc1C(=O)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000266343920 654873526 /nfs/dbraw/zinc/87/35/26/654873526.db2.gz VSMBSAYVYNEIFI-UHFFFAOYSA-N 1 0 382.346 2.856 20 0 GFADRO O=C(NCCC[NH+]1CCCC1)[C@]12CCC(=O)N1c1cc(Cl)ccc1S2 ZINC000064782088 654875362 /nfs/dbraw/zinc/87/53/62/654875362.db2.gz XWAJMCKAXMZVSN-GOSISDBHSA-N 1 0 379.913 2.871 20 0 GFADRO C[NH+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CCN(c3ccc(Br)cc3)C2)C1 ZINC000129880243 654876021 /nfs/dbraw/zinc/87/60/21/654876021.db2.gz VSOQDAOGUOQRGB-GOEBONIOSA-N 1 0 395.345 2.621 20 0 GFADRO CC[N@@H+](CC(=O)N(C)CCOc1ccc(Br)cc1)C[C@@H]1CCCO1 ZINC000065353072 654880000 /nfs/dbraw/zinc/88/00/00/654880000.db2.gz XQLMYULMGLPDAG-KRWDZBQOSA-N 1 0 399.329 2.787 20 0 GFADRO CC(C)[N@@H+]1CC[C@H](CNC(=O)NCCOc2cccc(Br)c2)C1 ZINC000065440407 654880327 /nfs/dbraw/zinc/88/03/27/654880327.db2.gz PLANBXBZFCMQTM-CQSZACIVSA-N 1 0 384.318 2.857 20 0 GFADRO O=C(NCC[NH+]1CCCCC1)[C@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1 ZINC000065642089 654883483 /nfs/dbraw/zinc/88/34/83/654883483.db2.gz YCYZBXZJGXIAEB-ZDUSSCGKSA-N 1 0 384.307 2.948 20 0 GFADRO C[NH+]1CCC(O)(CNC(=O)CCSc2ccccc2Br)CC1 ZINC000266797937 654894412 /nfs/dbraw/zinc/89/44/12/654894412.db2.gz XZZZHFLGLUKXHD-UHFFFAOYSA-N 1 0 387.343 2.504 20 0 GFADRO Cc1c(Cl)cccc1S(=O)(=O)N(C)C1CC[NH+](C2CCOCC2)CC1 ZINC000066103478 654894549 /nfs/dbraw/zinc/89/45/49/654894549.db2.gz DZNFUOPKXKUAIZ-UHFFFAOYSA-N 1 0 386.945 2.912 20 0 GFADRO COc1cc(Br)c(CNC(=O)N[C@H](C)CC[NH+](C)C)cc1OC ZINC000066191126 654896426 /nfs/dbraw/zinc/89/64/26/654896426.db2.gz XNXUHLCOYLJTMV-LLVKDONJSA-N 1 0 388.306 2.606 20 0 GFADRO CC(=O)N(c1nn(CN2CC[C@@H](C[NH+]3CCCC3)C2)c(=S)s1)C1CC1 ZINC000131309209 654901152 /nfs/dbraw/zinc/90/11/52/654901152.db2.gz OGNJVCMSCUYWND-AWEZNQCLSA-N 1 0 381.571 2.565 20 0 GFADRO O=C(/C=C/c1ccc(Br)s1)NCCCC[N@H+]1CCC[C@H]1CO ZINC000131390344 654905089 /nfs/dbraw/zinc/90/50/89/654905089.db2.gz SMCKISQHKYPWAP-CFNZNRNTSA-N 1 0 387.343 2.877 20 0 GFADRO C[C@H]1C[N@@H+](C2CCN(CC(=O)Nc3ccccc3Br)CC2)CCO1 ZINC000066561563 654906057 /nfs/dbraw/zinc/90/60/57/654906057.db2.gz PSDUEQSTFLKRFO-AWEZNQCLSA-N 1 0 396.329 2.573 20 0 GFADRO C[NH+](C)C[C@](C)(O)CNCc1csc(-c2cccc(Br)c2)n1 ZINC000131418134 654906204 /nfs/dbraw/zinc/90/62/04/654906204.db2.gz MZLQZQQSJNDWTD-MRXNPFEDSA-N 1 0 384.343 2.975 20 0 GFADRO CCCC(=O)N1CSC[C@@H]1C(=O)NC[C@H](c1ccsc1)[NH+](CC)CC ZINC000066613463 654909322 /nfs/dbraw/zinc/90/93/22/654909322.db2.gz QIJPKYVZARBAAW-HZPDHXFCSA-N 1 0 383.583 2.949 20 0 GFADRO O=C(/C=C/c1csc(Br)c1)NCCCC[N@H+]1CCC[C@@H]1CO ZINC000131599064 654910119 /nfs/dbraw/zinc/91/01/19/654910119.db2.gz VUXMTUZGCSOZEL-VBROQKIQSA-N 1 0 387.343 2.877 20 0 GFADRO O=C(/C=C/c1csc(Br)c1)NCCCC[N@H+]1CCC[C@H]1CO ZINC000131599288 654910181 /nfs/dbraw/zinc/91/01/81/654910181.db2.gz VUXMTUZGCSOZEL-GJBLVYBDSA-N 1 0 387.343 2.877 20 0 GFADRO C[NH+](C)CC(C)(C)CNC(=O)[C@H]1CCN(c2ccccc2Br)C1=O ZINC000131612876 654911176 /nfs/dbraw/zinc/91/11/76/654911176.db2.gz CJEZRMFWTIUAMV-CYBMUJFWSA-N 1 0 396.329 2.506 20 0 GFADRO C[C@H](c1ccc([S@@](C)=O)cc1)N(C)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000267134659 654912784 /nfs/dbraw/zinc/91/27/84/654912784.db2.gz DFMIZMWOUAYZIS-ASUVVQHCSA-N 1 0 383.583 2.564 20 0 GFADRO C[NH+](C)[C@@]1(CNC(=O)Nc2ccc(N3CCSCC3)cc2)CCSC1 ZINC000267183338 654915594 /nfs/dbraw/zinc/91/55/94/654915594.db2.gz KSGBJQKANRVZAM-GOSISDBHSA-N 1 0 380.583 2.799 20 0 GFADRO C[N@@H+]1CCC[C@H](CNC(=O)c2ccc(S(=O)(=O)c3ccccc3)s2)C1 ZINC000131865141 654919648 /nfs/dbraw/zinc/91/96/48/654919648.db2.gz PMXHURVFTLGKEK-CQSZACIVSA-N 1 0 378.519 2.653 20 0 GFADRO O=C(Nc1ccccc1Br)C1CC[NH+](CCn2ccnc2)CC1 ZINC000131882061 654920401 /nfs/dbraw/zinc/92/04/01/654920401.db2.gz VSFUXPDQYHRHJB-UHFFFAOYSA-N 1 0 377.286 2.996 20 0 GFADRO CSc1ccc(NC(=O)C(=O)NC[C@@]2([NH+](C)C)CCSC2)cc1Cl ZINC000267278545 654921967 /nfs/dbraw/zinc/92/19/67/654921967.db2.gz GJGSEQYPYUYPIH-INIZCTEOSA-N 1 0 387.958 2.554 20 0 GFADRO COc1ccc(C[NH2+][C@@H](C)Cn2cc(Br)cn2)cc1NC(C)=O ZINC000131967080 654923516 /nfs/dbraw/zinc/92/35/16/654923516.db2.gz YGOXFIUXAZLWFM-NSHDSACASA-N 1 0 381.274 2.791 20 0 GFADRO CC[N@H+](C)CCNC(=O)NCC1(c2cccc(Br)c2)CCOCC1 ZINC000067001961 654924903 /nfs/dbraw/zinc/92/49/03/654924903.db2.gz NAZFWORETSBHEI-UHFFFAOYSA-N 1 0 398.345 2.748 20 0 GFADRO O=C(/C=C/c1csc(Br)c1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000267427777 654928329 /nfs/dbraw/zinc/92/83/29/654928329.db2.gz YAIBHNHVENXGCV-VSZDKKFSSA-N 1 0 385.327 2.705 20 0 GFADRO CCCNC(=O)C1([NH2+]CC(=O)Nc2ccc(Br)cn2)CCCCC1 ZINC000132286538 654931615 /nfs/dbraw/zinc/93/16/15/654931615.db2.gz UMFCVQVVBKPZNM-UHFFFAOYSA-N 1 0 397.317 2.601 20 0 GFADRO C[NH+](C)[C@]1(CNC(=O)N2CCC[C@@H]2C[C@@H](O)c2cccs2)CCSC1 ZINC000267525147 654933178 /nfs/dbraw/zinc/93/31/78/654933178.db2.gz RTPQQBNUXGLULC-RKVPGOIHSA-N 1 0 383.583 2.783 20 0 GFADRO C[NH+](C)C1CCN(CCNC(=O)c2c[nH]c3cccc(Br)c23)CC1 ZINC000132356940 654935019 /nfs/dbraw/zinc/93/50/19/654935019.db2.gz QQILUNYCUOGZPT-UHFFFAOYSA-N 1 0 393.329 2.686 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000067545025 654940588 /nfs/dbraw/zinc/94/05/88/654940588.db2.gz YADWQZUVLIYLDT-OAHLLOKOSA-N 1 0 384.318 2.972 20 0 GFADRO CCN(CCC[NH2+][C@@H]1CCCc2ncc(C(F)(F)F)cc21)S(C)(=O)=O ZINC000132600793 654943334 /nfs/dbraw/zinc/94/33/34/654943334.db2.gz BSOXETZPQLLMQW-CQSZACIVSA-N 1 0 379.448 2.739 20 0 GFADRO CC[N@@H+]1CCCC[C@H]1C(=O)NCC(=O)Nc1ccc(Br)cc1C ZINC000067706223 654943354 /nfs/dbraw/zinc/94/33/54/654943354.db2.gz ZTFVSJFVHVTABR-HNNXBMFYSA-N 1 0 382.302 2.687 20 0 GFADRO O=C(NC1CC[NH+](CCOc2ccc(F)cc2)CC1)[C@H]1CC1(Cl)Cl ZINC000267904436 654951276 /nfs/dbraw/zinc/95/12/76/654951276.db2.gz ZQMBLAIYOQCVIK-OAHLLOKOSA-N 1 0 375.271 2.979 20 0 GFADRO Cn1cc(NC(=O)c2ccc(C[NH+]3CCCC3)cc2)cc(Br)c1=O ZINC000268028659 654956322 /nfs/dbraw/zinc/95/63/22/654956322.db2.gz WWUHPZKZACBLMS-UHFFFAOYSA-N 1 0 390.281 2.996 20 0 GFADRO Cn1nc(C(=O)Nc2ccc(OCC[NH+](C)C)c(F)c2)cc1Br ZINC000838289329 661036231 /nfs/dbraw/zinc/03/62/31/661036231.db2.gz ZMTVBIWDEWVYEC-UHFFFAOYSA-N 1 0 385.237 2.514 20 0 GFADRO Cc1c(C(=O)N2CCC[C@H]2C[NH+](C)C)nnn1-c1cccc(Br)c1 ZINC000268087053 654958477 /nfs/dbraw/zinc/95/84/77/654958477.db2.gz FPCSPGSIWSLDIB-HNNXBMFYSA-N 1 0 392.301 2.504 20 0 GFADRO CCCN(CC[NH+](CC)CC)C(=O)Nc1cc(Br)c(=O)n(C)c1 ZINC000133281077 654959080 /nfs/dbraw/zinc/95/90/80/654959080.db2.gz GXRPDXPXDCSAIJ-UHFFFAOYSA-N 1 0 387.322 2.734 20 0 GFADRO Cc1ccc(I)c(C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@@H]2C)c1 ZINC000268166074 654961468 /nfs/dbraw/zinc/96/14/68/654961468.db2.gz DMEYXNSNUSDZKV-XHDPSFHLSA-N 1 0 384.261 2.812 20 0 GFADRO C[NH+](C)CCNC(=O)C1CCN(C(=O)c2cc(Cl)sc2Cl)CC1 ZINC000068498662 654964535 /nfs/dbraw/zinc/96/45/35/654964535.db2.gz YYIHNOQJFLRCBW-UHFFFAOYSA-N 1 0 378.325 2.585 20 0 GFADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)Nc1cc(Br)ccc1F ZINC000133503573 654965132 /nfs/dbraw/zinc/96/51/32/654965132.db2.gz OZUFEFFNWNMTOY-OLZOCXBDSA-N 1 0 398.276 2.612 20 0 GFADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)NCc2cccc(Br)c2)C1 ZINC000069104620 654973354 /nfs/dbraw/zinc/97/33/54/654973354.db2.gz IDEMPIGDGJTGGF-INIZCTEOSA-N 1 0 384.318 2.605 20 0 GFADRO Cc1ccc(Br)cc1S(=O)(=O)NCCC1CC[NH+](C)CC1 ZINC000134195216 654986024 /nfs/dbraw/zinc/98/60/24/654986024.db2.gz LAHDKFLZMASSFM-UHFFFAOYSA-N 1 0 375.332 2.768 20 0 GFADRO Brc1ccc(OCC[N@@H+]2CCC[C@H](CN3CCOCC3)C2)cc1 ZINC000069803894 654986605 /nfs/dbraw/zinc/98/66/05/654986605.db2.gz KFZZDGHUGPLRGE-INIZCTEOSA-N 1 0 383.330 2.872 20 0 GFADRO CC(C)(CNC(=O)NC[C@H](O)c1ccccc1Br)C[NH+]1CCCC1 ZINC000838569485 661050203 /nfs/dbraw/zinc/05/02/03/661050203.db2.gz WHHRAXJGSIQBBZ-INIZCTEOSA-N 1 0 398.345 2.904 20 0 GFADRO C[C@H](Cn1cc(Br)cn1)[NH2+][C@@H](C)c1ccc2c(c1)CC(=O)N2C ZINC000268825688 654987976 /nfs/dbraw/zinc/98/79/76/654987976.db2.gz BCHIVNAOVDRRBN-NEPJUHHUSA-N 1 0 377.286 2.904 20 0 GFADRO CN(c1ncncc1Br)C1CC[NH+](CCc2ccccn2)CC1 ZINC000268824856 654987992 /nfs/dbraw/zinc/98/79/92/654987992.db2.gz QJTFSIAXWJVCRA-UHFFFAOYSA-N 1 0 376.302 2.777 20 0 GFADRO CCOc1ccccc1C[NH2+]CC1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000069875940 654988668 /nfs/dbraw/zinc/98/86/68/654988668.db2.gz CBGZQEJUHZWVPV-UHFFFAOYSA-N 1 0 380.432 2.737 20 0 GFADRO CSCC[C@@H]1NC(=S)N(CC2([NH+]3CCSCC3)CCCCC2)C1=O ZINC000069913169 654989170 /nfs/dbraw/zinc/98/91/70/654989170.db2.gz ZECLNJOTSHJYHK-AWEZNQCLSA-N 1 0 387.640 2.577 20 0 GFADRO NC(=O)[C@H]1CCCN1CCC[NH2+][C@H]1CCCOc2c(Br)cccc21 ZINC000268869277 654989565 /nfs/dbraw/zinc/98/95/65/654989565.db2.gz FVNFKMFFFTZDFX-JKSUJKDBSA-N 1 0 396.329 2.592 20 0 GFADRO Cc1csc([C@@](O)(CC(=O)NC2CC[NH+](C(C)C)CC2)C(F)(F)F)n1 ZINC000069980282 654991143 /nfs/dbraw/zinc/99/11/43/654991143.db2.gz OTRWZWKGWRLDGZ-HNNXBMFYSA-N 1 0 379.448 2.581 20 0 GFADRO COc1c(Br)cc(Cl)cc1S(=O)(=O)N[C@H]1CCCC[NH2+]C1 ZINC000070120717 654992104 /nfs/dbraw/zinc/99/21/04/654992104.db2.gz VWSZYEKMSREYTK-JTQLQIEISA-N 1 0 397.722 2.532 20 0 GFADRO O=C(NCc1ccccc1Br)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000268947407 654992399 /nfs/dbraw/zinc/99/23/99/654992399.db2.gz BTJOPINYITVIIE-SJORKVTESA-N 1 0 396.329 2.626 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)[C@H]1CCCN1C(=O)c1cccs1)c1cccs1 ZINC000070690534 654993321 /nfs/dbraw/zinc/99/33/21/654993321.db2.gz WOFGEKLVKBYEFW-KGLIPLIRSA-N 1 0 377.535 2.833 20 0 GFADRO O=C(CC[N@H+]1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1)N1CCOCC1 ZINC000134463085 654993532 /nfs/dbraw/zinc/99/35/32/654993532.db2.gz LHTVIOFBANCASM-GFCCVEGCSA-N 1 0 377.432 2.590 20 0 GFADRO Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+][C@H]1CCCN(S(C)(=O)=O)C1 ZINC000268999890 654994624 /nfs/dbraw/zinc/99/46/24/654994624.db2.gz LKJKHFOJUIPTBE-WFASDCNBSA-N 1 0 380.539 2.588 20 0 GFADRO CCC(=O)N1CC[C@H]([NH2+]Cc2nc(-c3cccc(Br)c3)c[nH]2)C1 ZINC000134535724 654995728 /nfs/dbraw/zinc/99/57/28/654995728.db2.gz IQTINAQKSLTTLV-AWEZNQCLSA-N 1 0 377.286 2.940 20 0 GFADRO CC(C)[C@H]([NH3+])C(=O)N1CCC(C(=O)Nc2cccc(Br)c2)CC1 ZINC000269056112 654996299 /nfs/dbraw/zinc/99/62/99/654996299.db2.gz QNHIIJNGUXEZTG-HNNXBMFYSA-N 1 0 382.302 2.610 20 0 GFADRO NC(=O)c1csc(C[NH2+]Cc2cc(Br)c3c(c2)OCCO3)c1 ZINC000269138012 654999484 /nfs/dbraw/zinc/99/94/84/654999484.db2.gz KUDGLSHZLCHZGU-UHFFFAOYSA-N 1 0 383.267 2.671 20 0 GFADRO C[C@@H]1CN(C(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)CC[C@H]1[NH3+] ZINC000269200917 655001436 /nfs/dbraw/zinc/00/14/36/655001436.db2.gz KGBHBJAVVZETBW-LYRGGWFBSA-N 1 0 384.307 2.794 20 0 GFADRO C[C@@H]1CN(C(=O)c2ccc(Cl)c(I)c2)CC[C@@H]1[NH3+] ZINC000269240947 655002530 /nfs/dbraw/zinc/00/25/30/655002530.db2.gz CMUIMTYITJASQO-PELKAZGASA-N 1 0 378.641 2.754 20 0 GFADRO CC(C)[C@H]([NH3+])CNC(=O)c1cnn(-c2ncccc2Cl)c1C(F)(F)F ZINC000269236036 655002670 /nfs/dbraw/zinc/00/26/70/655002670.db2.gz BNXYHMMWZDSKGC-LLVKDONJSA-N 1 0 375.782 2.653 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N(C)CC2CC[NH+](C)CC2)c(Br)c1 ZINC000269254895 655003103 /nfs/dbraw/zinc/00/31/03/655003103.db2.gz FWAQGDKYVGYRKE-UHFFFAOYSA-N 1 0 396.329 2.805 20 0 GFADRO C[C@H]1CN(C(=O)C2(c3ccc(Br)cc3)CCOCC2)CC[C@H]1[NH3+] ZINC000269259280 655003433 /nfs/dbraw/zinc/00/34/33/655003433.db2.gz IUTPUGWSQVAWJH-XJKSGUPXSA-N 1 0 381.314 2.693 20 0 GFADRO COC(=O)[C@@H](CC(C)C)NC(=O)C[N@H+](C)CCc1ccc(Br)cc1 ZINC000078610989 655004954 /nfs/dbraw/zinc/00/49/54/655004954.db2.gz OOJGOHGHDPAXGY-MRXNPFEDSA-N 1 0 399.329 2.627 20 0 GFADRO CNC(=O)[C@H]1CCC[N@H+](Cc2cn(-c3ccc(Br)cc3)nc2C)C1 ZINC000093360533 655018521 /nfs/dbraw/zinc/01/85/21/655018521.db2.gz QRSREHMWGDFVKG-AWEZNQCLSA-N 1 0 391.313 2.901 20 0 GFADRO COC(=O)CC[N@H+](CCOc1ccccc1Br)C1CCOCC1 ZINC000093792446 655020586 /nfs/dbraw/zinc/02/05/86/655020586.db2.gz WLIIGFANTFQJBC-UHFFFAOYSA-N 1 0 386.286 2.872 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@H](NC(=O)[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C1 ZINC000093986702 655025661 /nfs/dbraw/zinc/02/56/61/655025661.db2.gz XVJXUHIYENVXHK-SCRDCRAPSA-N 1 0 384.307 2.945 20 0 GFADRO C[NH+](C)[C@H]1CC[C@H](NC(=O)c2ccn(-c3cccc(Br)c3)n2)C1 ZINC000094003990 655025770 /nfs/dbraw/zinc/02/57/70/655025770.db2.gz VIZWSTPFAWNFFK-KBPBESRZSA-N 1 0 377.286 2.847 20 0 GFADRO C[NH+](C)CCOc1cc(C(=O)NCc2ccc(Br)s2)ccn1 ZINC000136341087 655030101 /nfs/dbraw/zinc/03/01/01/655030101.db2.gz FIGFESHQWKRRHL-UHFFFAOYSA-N 1 0 384.299 2.776 20 0 GFADRO C[NH+](C)CCn1cc(NS(=O)(=O)c2cc(Cl)sc2Cl)ccc1=O ZINC000270025962 655031785 /nfs/dbraw/zinc/03/17/85/655031785.db2.gz JZVBRGDHICZYDR-UHFFFAOYSA-N 1 0 396.321 2.579 20 0 GFADRO CO[C@H](C)CC(=O)NC1CC[NH+](CCOc2ccc(Br)cc2)CC1 ZINC000136695935 655034390 /nfs/dbraw/zinc/03/43/90/655034390.db2.gz KGNUBFKPYZLAHQ-CQSZACIVSA-N 1 0 399.329 2.834 20 0 GFADRO O=C(Cc1cccc(Br)c1)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000136879511 655036605 /nfs/dbraw/zinc/03/66/05/655036605.db2.gz JKDUTIGKFSLJFS-HNNXBMFYSA-N 1 0 381.314 2.609 20 0 GFADRO Cc1cc(Br)ccc1C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000136947078 655037094 /nfs/dbraw/zinc/03/70/94/655037094.db2.gz JPLQMZYDPMQJBB-AWEZNQCLSA-N 1 0 381.314 2.988 20 0 GFADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)c1n[nH]c2c1CCC2 ZINC000098036369 655038802 /nfs/dbraw/zinc/03/88/02/655038802.db2.gz BPCWOARFLSZQBP-UHFFFAOYSA-N 1 0 391.313 2.865 20 0 GFADRO C[N@@H+]1CCC[C@H]2CN(C(=O)NCCOc3ccc(Br)cc3)CC[C@@H]21 ZINC000137902054 655042182 /nfs/dbraw/zinc/04/21/82/655042182.db2.gz IODPIQQBNDGLNM-YOEHRIQHSA-N 1 0 396.329 2.954 20 0 GFADRO CS[C@@H]1CN(C(=O)CCCc2nc(-c3cccs3)no2)C[C@H]1[NH+](C)C ZINC000270472338 655045881 /nfs/dbraw/zinc/04/58/81/655045881.db2.gz MAWPZLDQRBQHJN-TZMCWYRMSA-N 1 0 380.539 2.625 20 0 GFADRO CC[N@H+](CCNC(=O)CCNC(=O)Nc1ccc(Br)cc1)C1CC1 ZINC000101961958 655048976 /nfs/dbraw/zinc/04/89/76/655048976.db2.gz LNWPZRJTCDHNRT-UHFFFAOYSA-N 1 0 397.317 2.561 20 0 GFADRO CC(C)[N@H+](C)CCNC(=O)N1CCO[C@@H](c2ccccc2Br)C1 ZINC000102060729 655050295 /nfs/dbraw/zinc/05/02/95/655050295.db2.gz HQSKWGVGNJIIKT-MRXNPFEDSA-N 1 0 384.318 2.872 20 0 GFADRO O=C(Nc1cccc(Cl)c1SC(F)F)C(=O)N1CCN(C2CC2)CC1 ZINC000102088077 655050766 /nfs/dbraw/zinc/05/07/66/655050766.db2.gz MYRFCAQYLPCEPK-UHFFFAOYSA-N 1 0 389.855 2.900 20 0 GFADRO S=c1n(CN2CCC(n3ccnc3)CC2)nnn1-c1ccc(Cl)cc1 ZINC000152104224 655056417 /nfs/dbraw/zinc/05/64/17/655056417.db2.gz XYNJQCZTJCCBGU-UHFFFAOYSA-N 1 0 375.889 2.943 20 0 GFADRO C[C@H](CSC(C)(C)C)[NH2+]Cc1ccc(S(=O)(=O)N2CCOCC2)s1 ZINC000152144763 655056836 /nfs/dbraw/zinc/05/68/36/655056836.db2.gz ZDEKVYAVGAUSFJ-CYBMUJFWSA-N 1 0 392.612 2.779 20 0 GFADRO C[N@H+](C[C@H](O)COc1ccc(Cl)cc1Br)C[C@H]1CCCO1 ZINC000102769887 655060580 /nfs/dbraw/zinc/06/05/80/655060580.db2.gz WMZAHIUNASFCKM-QWHCGFSZSA-N 1 0 378.694 2.953 20 0 GFADRO CC[NH+](CC)[C@H]1CCN(S(=O)(=O)c2ccc(OC)c(Br)c2)C1 ZINC000102827339 655061918 /nfs/dbraw/zinc/06/19/18/655061918.db2.gz RCRPCGAPDKPPJL-LBPRGKRZSA-N 1 0 391.331 2.563 20 0 GFADRO NC(=O)CCC1CC[NH+](CCC(=O)Nc2ccccc2Br)CC1 ZINC000271083253 655066115 /nfs/dbraw/zinc/06/61/15/655066115.db2.gz FXEPSDRPPBUDIH-UHFFFAOYSA-N 1 0 382.302 2.755 20 0 GFADRO C[N@@H+]1CCN(Cc2csc(-c3ccc(S(C)(=O)=O)cc3)n2)C(C)(C)C1 ZINC000271084493 655066120 /nfs/dbraw/zinc/06/61/20/655066120.db2.gz ZDWOXRGLNZLDPB-UHFFFAOYSA-N 1 0 379.551 2.740 20 0 GFADRO CC(=O)OC1CC[NH+]([C@H](C)C(=O)N(C)Cc2ccc(Br)cc2)CC1 ZINC000153360532 655066445 /nfs/dbraw/zinc/06/64/45/655066445.db2.gz UMDJIHORPFEZFL-CYBMUJFWSA-N 1 0 397.313 2.824 20 0 GFADRO CC[NH+](CC)CCN(C(=O)c1ccc(Cl)c(C)c1)[C@H]1CCS(=O)(=O)C1 ZINC000271105124 655066898 /nfs/dbraw/zinc/06/68/98/655066898.db2.gz ZYUNDZHCYSSHGA-INIZCTEOSA-N 1 0 386.945 2.620 20 0 GFADRO Cc1ccc(-n2nc(Br)cc2C(=O)N2C[C@@H](C)[NH2+][C@H](C)C2)cc1 ZINC000153589979 655068504 /nfs/dbraw/zinc/06/85/04/655068504.db2.gz FIYUPXLHNIZUQN-CHWSQXEVSA-N 1 0 377.286 2.766 20 0 GFADRO CC[N@H+](CCCO)Cc1cc(I)c(OC)c(OC)c1 ZINC000271167724 655068749 /nfs/dbraw/zinc/06/87/49/655068749.db2.gz CRLRWFYNEQBEAA-UHFFFAOYSA-N 1 0 379.238 2.513 20 0 GFADRO C[N@H+](CC1CCS(=O)(=O)CC1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000271217702 655071242 /nfs/dbraw/zinc/07/12/42/655071242.db2.gz JDQZYQWFGNKXJY-HOTGVXAUSA-N 1 0 378.321 2.708 20 0 GFADRO COc1cc([C@@H](C)[NH2+]C2CCN(S(=O)(=O)C(F)(F)F)CC2)ccc1F ZINC000154211523 655074050 /nfs/dbraw/zinc/07/40/50/655074050.db2.gz ZEVNJFHSMHOHPS-SNVBAGLBSA-N 1 0 384.395 2.799 20 0 GFADRO CC[N@@H+]1CCC[C@H](CNC(=O)NCc2ccc(OC)c(Br)c2)C1 ZINC000105223344 655089750 /nfs/dbraw/zinc/08/97/50/655089750.db2.gz AQUXHYYWDUULKA-CQSZACIVSA-N 1 0 384.318 2.989 20 0 GFADRO [NH3+][C@@H](Cc1ccccc1)C(=O)N1CCO[C@H](c2ccccc2Br)C1 ZINC000156174824 655090158 /nfs/dbraw/zinc/09/01/58/655090158.db2.gz COVAQALMAUAIPS-ROUUACIJSA-N 1 0 389.293 2.919 20 0 GFADRO NC(=O)[C@H]([NH2+]CCc1ccc2c(c1)OCCO2)c1ccc(Br)cc1 ZINC000105400161 655092358 /nfs/dbraw/zinc/09/23/58/655092358.db2.gz GHNHHUVCMXMXHD-QGZVFWFLSA-N 1 0 391.265 2.579 20 0 GFADRO CCCCc1nnc(NC(=O)C[NH2+][C@H](C)c2ccc([S@@](C)=O)cc2)s1 ZINC000271772650 655094115 /nfs/dbraw/zinc/09/41/15/655094115.db2.gz FNLUCHLMIRWTAK-XELLLNAOSA-N 1 0 380.539 2.907 20 0 GFADRO CCOC1CC([NH2+]CCCNC(=O)c2cc(OC)ccc2Br)C1 ZINC000271796145 655094960 /nfs/dbraw/zinc/09/49/60/655094960.db2.gz KCGOUFDWUJNYKW-UHFFFAOYSA-N 1 0 385.302 2.735 20 0 GFADRO C[C@H]([NH2+]CCn1cc(Br)cn1)c1cccc(N2CCOC2=O)c1 ZINC000271827664 655095984 /nfs/dbraw/zinc/09/59/84/655095984.db2.gz QZZYTJJYQSFSSZ-LBPRGKRZSA-N 1 0 379.258 2.953 20 0 GFADRO COc1cc(Br)c(NC(=O)NCC2=CC[N@H+](C)CC2)cc1OC ZINC000271918804 655098391 /nfs/dbraw/zinc/09/83/91/655098391.db2.gz JWUNKGMATBETKI-UHFFFAOYSA-N 1 0 384.274 2.850 20 0 GFADRO Cn1cc([C@H](O)C[C@H]2CCC[N@@H+]2Cc2cccc(O)c2Br)cn1 ZINC000838866256 661060432 /nfs/dbraw/zinc/06/04/32/661060432.db2.gz ZFTTYZMURRMEDT-GDBMZVCRSA-N 1 0 380.286 2.976 20 0 GFADRO Cc1sc(Br)cc1S(=O)(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000158784675 655109394 /nfs/dbraw/zinc/10/93/94/655109394.db2.gz NABSCFRSYIYHLJ-WDEREUQCSA-N 1 0 379.345 2.724 20 0 GFADRO CC[NH+]1CCN([C@H]2CCN(C(=O)c3ccc(Br)cc3C)C2)CC1 ZINC000106807285 655111895 /nfs/dbraw/zinc/11/18/95/655111895.db2.gz YFLFUTBEJRPWFG-INIZCTEOSA-N 1 0 380.330 2.610 20 0 GFADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)c1ccc(C2SCCCS2)cc1 ZINC000106818695 655111924 /nfs/dbraw/zinc/11/19/24/655111924.db2.gz NZGHUBCLCZGIEH-HNNXBMFYSA-N 1 0 379.595 2.921 20 0 GFADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)c3cc(I)ccc3F)[C@@H]2C1 ZINC000272508605 655115113 /nfs/dbraw/zinc/11/51/13/655115113.db2.gz OPJGQIKSTFKWCG-QMTHXVAHSA-N 1 0 388.224 2.597 20 0 GFADRO CCC[C@H]1CN(Cn2ncc(Br)c2C2CC2)CC[N@@H+]1CCOC ZINC000159831730 655117353 /nfs/dbraw/zinc/11/73/53/655117353.db2.gz BJYUJHANCHBOKX-HNNXBMFYSA-N 1 0 385.350 2.913 20 0 GFADRO Cc1c(I)cccc1C(=O)N[C@@H](C)C1=CC[N@H+](C)CC1 ZINC000272676092 655118594 /nfs/dbraw/zinc/11/85/94/655118594.db2.gz JZDUEPNHGZSIPN-LBPRGKRZSA-N 1 0 384.261 2.980 20 0 GFADRO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(C(=O)c2sccc2SC(F)F)CC1 ZINC000107242774 655118977 /nfs/dbraw/zinc/11/89/77/655118977.db2.gz BNJOGCRCULNSLI-LLVKDONJSA-N 1 0 389.493 2.617 20 0 GFADRO C[C@H](NC(=O)c1ccc(F)c(I)c1)C1=CC[N@H+](C)CC1 ZINC000272741759 655120285 /nfs/dbraw/zinc/12/02/85/655120285.db2.gz MWNZBJBHLMJPJY-JTQLQIEISA-N 1 0 388.224 2.811 20 0 GFADRO CC(C)[NH+]1CCC(NC(=O)c2csc(I)c2)CC1 ZINC000107539754 655122052 /nfs/dbraw/zinc/12/20/52/655122052.db2.gz CVNCFPKTGXOWOT-UHFFFAOYSA-N 1 0 378.279 2.955 20 0 GFADRO C[NH+]1CCC(CCNC(=O)c2csc(I)c2)CC1 ZINC000107582609 655122686 /nfs/dbraw/zinc/12/26/86/655122686.db2.gz OKFAIFGELWXNNB-UHFFFAOYSA-N 1 0 378.279 2.814 20 0 GFADRO CN(C)C(=O)c1cccc(C[NH2+][C@H](CO)c2ccc(Br)cc2)c1 ZINC000273046022 655128521 /nfs/dbraw/zinc/12/85/21/655128521.db2.gz DOKVSQLASKSBRZ-QGZVFWFLSA-N 1 0 377.282 2.974 20 0 GFADRO C[N@@H+]1CCC[C@H](CNC(=O)c2cnn(-c3cccc(Br)c3)c2)C1 ZINC000108328201 655131221 /nfs/dbraw/zinc/13/12/21/655131221.db2.gz JAKLBXQDVKOCHU-CYBMUJFWSA-N 1 0 377.286 2.706 20 0 GFADRO C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)C1 ZINC000108344992 655131589 /nfs/dbraw/zinc/13/15/89/655131589.db2.gz RCWQQWHMJYVDEG-JSGCOSHPSA-N 1 0 384.307 2.804 20 0 GFADRO COc1cc(Br)c(NC(=O)NC[C@H]2CCC[N@H+](C)C2)cc1OC ZINC000108507801 655134399 /nfs/dbraw/zinc/13/43/99/655134399.db2.gz CKVUDEVCGCHHTH-LLVKDONJSA-N 1 0 386.290 2.930 20 0 GFADRO COc1cc([C@H](C)[NH2+]C[C@@H]2CCC[C@H](O)C2)ccc1S(=O)(=O)C(F)F ZINC000163382639 655135319 /nfs/dbraw/zinc/13/53/19/655135319.db2.gz NLQOAWOTXOABMH-SCRDCRAPSA-N 1 0 377.453 2.893 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000108619647 655135754 /nfs/dbraw/zinc/13/57/54/655135754.db2.gz HSDSSFAXCZNPCG-OAHLLOKOSA-N 1 0 394.313 2.605 20 0 GFADRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)c3cc(-c4ccc(Br)cc4)n[nH]3)C[C@H]12 ZINC000273479141 655144646 /nfs/dbraw/zinc/14/46/46/655144646.db2.gz SCBULBILLGGKRL-FPMFFAJLSA-N 1 0 375.270 2.649 20 0 GFADRO CS(=O)(=O)c1cccc(Cl)c1C[NH2+]C[C@H](CO)Cc1ccc(F)cc1 ZINC000273499152 655145409 /nfs/dbraw/zinc/14/54/09/655145409.db2.gz YEERIJRKNGSIHZ-CQSZACIVSA-N 1 0 385.888 2.823 20 0 GFADRO CC[C@H]([NH2+]CC(=O)Nc1ccc(S(N)(=O)=O)cc1)c1ccc(Cl)s1 ZINC000273547037 655147603 /nfs/dbraw/zinc/14/76/03/655147603.db2.gz WTZHXWCZZRJZST-LBPRGKRZSA-N 1 0 387.914 2.728 20 0 GFADRO CC(C)(O)C[NH+]1CCN(Cn2nc(-c3ccc(Cl)s3)oc2=S)CC1 ZINC000172910655 655160546 /nfs/dbraw/zinc/16/05/46/655160546.db2.gz QWKDNTCGWCNAGF-UHFFFAOYSA-N 1 0 388.946 2.933 20 0 GFADRO CN1CC[NH+]([C@H]2CCCCN(C(=O)Cc3ccccc3Br)C2)CC1 ZINC000173275666 655166562 /nfs/dbraw/zinc/16/65/62/655166562.db2.gz UGHDOEUACJKYBI-KRWDZBQOSA-N 1 0 394.357 2.620 20 0 GFADRO CN1CC[NH+]([C@H]2CCCCN(C(=O)c3cccc(Br)c3)C2)CC1 ZINC000173279365 655167191 /nfs/dbraw/zinc/16/71/91/655167191.db2.gz QXZGVLXHXYNYLS-KRWDZBQOSA-N 1 0 380.330 2.691 20 0 GFADRO CCC(CC)([NH2+]CCNS(=O)(=O)c1cnn(C)c1)c1ccc(Cl)cc1 ZINC000173288421 655167706 /nfs/dbraw/zinc/16/77/06/655167706.db2.gz TUFBSUVTFAOGIZ-UHFFFAOYSA-N 1 0 384.933 2.657 20 0 GFADRO CN(CC1CC[NH+](C)CC1)S(=O)(=O)c1cc(Br)c(F)cc1F ZINC000111339921 655169127 /nfs/dbraw/zinc/16/91/27/655169127.db2.gz USRMXRZFQPTWFJ-UHFFFAOYSA-N 1 0 397.285 2.690 20 0 GFADRO COCCOC[C@@H]1CCN(CN2C(=O)c3cc(Cl)c(Cl)cc3C2=O)C1 ZINC000173397889 655169768 /nfs/dbraw/zinc/16/97/68/655169768.db2.gz RXKPDGLMZQRJRJ-LLVKDONJSA-N 1 0 387.263 2.532 20 0 GFADRO COCCOC[C@@H]1CCN(Cn2ncn(CCc3cccs3)c2=S)C1 ZINC000173396055 655169783 /nfs/dbraw/zinc/16/97/83/655169783.db2.gz LAZPOWBJIFGICF-OAHLLOKOSA-N 1 0 382.555 2.661 20 0 GFADRO Cc1cc(Br)ccc1CNC(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000111454764 655173061 /nfs/dbraw/zinc/17/30/61/655173061.db2.gz WLHFTAKVZUUSLK-UHFFFAOYSA-N 1 0 397.361 2.584 20 0 GFADRO C[C@H]1C[C@@H](N(C)C(=O)Nc2ccc(NS(C)(=O)=O)c(Cl)c2)CC[N@@H+]1C ZINC000173555415 655174855 /nfs/dbraw/zinc/17/48/55/655174855.db2.gz DZIYTJLTHJATKC-AAEUAGOBSA-N 1 0 388.921 2.658 20 0 GFADRO Brc1c(-c2nc([C@H]3C[N@@H+]4CCC[C@@H]4CO3)no2)n[nH]c1C1CC1 ZINC000274147631 655175485 /nfs/dbraw/zinc/17/54/85/655175485.db2.gz YOFRLNUXSAAGHS-NXEZZACHSA-N 1 0 380.246 2.635 20 0 GFADRO C[C@H](NC(=O)NCC1CC[NH+](CCO)CC1)c1ccccc1Br ZINC000111799419 655177403 /nfs/dbraw/zinc/17/74/03/655177403.db2.gz GOGYDFNILHPJKW-ZDUSSCGKSA-N 1 0 384.318 2.514 20 0 GFADRO COc1c(Br)cc(Cl)cc1S(=O)(=O)NC1(C[NH3+])CCCC1 ZINC000111832612 655177767 /nfs/dbraw/zinc/17/77/67/655177767.db2.gz JGRVGHNNFCFRLU-UHFFFAOYSA-N 1 0 397.722 2.661 20 0 GFADRO COCCOCCC[NH2+]Cc1cc(Br)cc(Br)c1N ZINC000274207701 655179422 /nfs/dbraw/zinc/17/94/22/655179422.db2.gz MRFJMFSNJIKZBD-UHFFFAOYSA-N 1 0 396.123 2.937 20 0 GFADRO C[C@H](CCNC(=O)c1cnn(C)c1Br)[N@H+](C)Cc1ccccc1 ZINC000274238868 655181094 /nfs/dbraw/zinc/18/10/94/655181094.db2.gz RBXWXZJWBHEKEB-CYBMUJFWSA-N 1 0 379.302 2.823 20 0 GFADRO CC[NH+](CC)C[C@@H]1CCN([C@H](C(N)=O)c2ccc(Br)cc2F)C1 ZINC000173788606 655181091 /nfs/dbraw/zinc/18/10/91/655181091.db2.gz VKFKUQICDBKXRB-LRDDRELGSA-N 1 0 386.309 2.778 20 0 GFADRO O=S(=O)(N[C@H]1CC[N@H+](CC2CCCC2)C1)c1ccccc1Br ZINC000173867632 655182948 /nfs/dbraw/zinc/18/29/48/655182948.db2.gz FKFKRKJKZBTITC-AWEZNQCLSA-N 1 0 387.343 2.992 20 0 GFADRO CC[NH+](CC)C[C@@H]1CCN(S(=O)(=O)c2ccc(Br)s2)C1 ZINC000173917034 655185299 /nfs/dbraw/zinc/18/52/99/655185299.db2.gz IYUFEUOQFHKSSZ-NSHDSACASA-N 1 0 381.361 2.863 20 0 GFADRO C[C@@H]([NH2+]Cc1ccc(C(=O)NCC(N)=O)cc1)c1ccc(Br)cc1 ZINC000173944011 655187349 /nfs/dbraw/zinc/18/73/49/655187349.db2.gz CVRYYWXSSDMAQA-GFCCVEGCSA-N 1 0 390.281 2.515 20 0 GFADRO C[C@@H]1CC[C@H](C)C[N@H+]1CC(=O)NCC(=O)Nc1ccccc1Br ZINC000174012433 655190201 /nfs/dbraw/zinc/19/02/01/655190201.db2.gz XXJFBDIMYBBEGL-QWHCGFSZSA-N 1 0 382.302 2.624 20 0 GFADRO C[C@@H]1CC[C@@H](C)[N@H+](CC(=O)Nc2ccc(Cl)c(S(=O)(=O)N(C)C)c2)C1 ZINC000174012153 655190270 /nfs/dbraw/zinc/19/02/70/655190270.db2.gz HTXINZVBEXGAJV-CHWSQXEVSA-N 1 0 387.933 2.649 20 0 GFADRO CC[C@@H](C)[C@H](O)C[NH2+]Cc1cc(I)c(OC)c(OC)c1 ZINC000112380758 655190365 /nfs/dbraw/zinc/19/03/65/655190365.db2.gz CKNIPIFPOWUWSK-ZWNOBZJWSA-N 1 0 393.265 2.805 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)NCC[NH2+]C(C)(C)C ZINC000174242926 655194922 /nfs/dbraw/zinc/19/49/22/655194922.db2.gz RNNYWLDBTQQFEE-AWEZNQCLSA-N 1 0 386.583 2.855 20 0 GFADRO CC(C)OC(=O)N1CCC([NH2+][C@H](C(N)=O)c2ccc(Br)cc2)CC1 ZINC000112708861 655196127 /nfs/dbraw/zinc/19/61/27/655196127.db2.gz DSFOQYLFICBVRO-HNNXBMFYSA-N 1 0 398.301 2.575 20 0 GFADRO O=C(Nc1ccc(I)cc1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000174289083 655197452 /nfs/dbraw/zinc/19/74/52/655197452.db2.gz RSBVKIXSNPWBJF-AWEZNQCLSA-N 1 0 383.233 2.769 20 0 GFADRO O=C1CCCN1[C@H]1CCC[N@@H+](C[C@@H](O)c2ccccc2Br)CC1 ZINC000839665556 661099309 /nfs/dbraw/zinc/09/93/09/661099309.db2.gz JCOMVUSXQGOYHP-WMLDXEAASA-N 1 0 381.314 2.959 20 0 GFADRO C[NH+](C)CCN1C[C@@H](C(=O)Nc2ccccc2SC(F)(F)F)CC1=O ZINC000174455726 655203043 /nfs/dbraw/zinc/20/30/43/655203043.db2.gz IZODZFJOIKEBOT-NSHDSACASA-N 1 0 375.416 2.647 20 0 GFADRO O=C(Cc1ccc(Cl)cc1Br)NCCCC[NH+]1CCOCC1 ZINC000113149421 655204111 /nfs/dbraw/zinc/20/41/11/655204111.db2.gz QRXXVLCDPYTCIO-UHFFFAOYSA-N 1 0 389.721 2.874 20 0 GFADRO COc1c(Br)cccc1C[NH2+]Cc1ccc(N2CCOCC2)nc1 ZINC000274849136 655204210 /nfs/dbraw/zinc/20/42/10/655204210.db2.gz XSRJQMFXWCAWRL-UHFFFAOYSA-N 1 0 392.297 2.979 20 0 GFADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)N[C@@H]1CCc2c1ccc(Cl)c2Cl ZINC000113408778 655209782 /nfs/dbraw/zinc/20/97/82/655209782.db2.gz JHMBPWHFNIPCRC-MLGOLLRUSA-N 1 0 385.339 2.916 20 0 GFADRO CNC(=O)CC1CC[NH+](C[C@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000175042097 655213156 /nfs/dbraw/zinc/21/31/56/655213156.db2.gz MSWQKCNSGKLXDS-ZDUSSCGKSA-N 1 0 375.296 2.581 20 0 GFADRO C[C@H](C(=O)Nc1ccc(Cl)cc1)[N@@H+]1CC[C@H](C(=O)NCC(F)(F)F)C1 ZINC000275074118 655215205 /nfs/dbraw/zinc/21/52/05/655215205.db2.gz BIMXKBCMVUIFDU-MNOVXSKESA-N 1 0 377.794 2.667 20 0 GFADRO C[NH+](C)C1CCN(CCNC(=O)NCCc2ccc(Cl)cc2Cl)CC1 ZINC000175521343 655222289 /nfs/dbraw/zinc/22/22/89/655222289.db2.gz HKRLFQKCDXHDBK-UHFFFAOYSA-N 1 0 387.355 2.861 20 0 GFADRO C[C@@H]([NH2+][C@H](C)c1cn[nH]c1)C(=O)Nc1ccc(I)cc1 ZINC000275229110 655223937 /nfs/dbraw/zinc/22/39/37/655223937.db2.gz VNVZIMINTBJTTK-NXEZZACHSA-N 1 0 384.221 2.692 20 0 GFADRO [NH3+]C[C@H](NS(=O)(=O)c1c(Cl)cc(Br)cc1Cl)C1CC1 ZINC000114908157 655230301 /nfs/dbraw/zinc/23/03/01/655230301.db2.gz CIHOLUKXDZGEQR-JTQLQIEISA-N 1 0 388.114 2.772 20 0 GFADRO C[C@H](CNC(=O)N1CCC[C@@H]([NH+](C)C)C1)Oc1ccccc1Br ZINC000175976950 655230673 /nfs/dbraw/zinc/23/06/73/655230673.db2.gz VKXPVXCEFFMVMN-ZIAGYGMSSA-N 1 0 384.318 2.952 20 0 GFADRO COCCOCCOCCC[NH2+][C@@H](C)c1ncc(Br)cc1F ZINC000275357263 655231661 /nfs/dbraw/zinc/23/16/61/655231661.db2.gz RZCSXIDVZCJTKN-LBPRGKRZSA-N 1 0 379.270 2.704 20 0 GFADRO CSc1nnc(CNC(=O)N[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)s1 ZINC000275379663 655232804 /nfs/dbraw/zinc/23/28/04/655232804.db2.gz CXJFSBHGPQQANE-TZMCWYRMSA-N 1 0 377.539 2.722 20 0 GFADRO CC(C)C[C@H](CNC(=O)C(=O)Nc1c(F)cccc1Br)[NH+](C)C ZINC000176073048 655233757 /nfs/dbraw/zinc/23/37/57/655233757.db2.gz KKWXFWZXJSGRKM-LLVKDONJSA-N 1 0 388.281 2.619 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000275493088 655238515 /nfs/dbraw/zinc/23/85/15/655238515.db2.gz BCTDCRYCDOUTDT-RBSFLKMASA-N 1 0 384.567 2.737 20 0 GFADRO CC1CCC([NH+]2CCN(CC(=O)Nc3ccc(Br)cn3)CC2)CC1 ZINC000115566115 655238786 /nfs/dbraw/zinc/23/87/86/655238786.db2.gz UFJDGBLAKFSEMR-UHFFFAOYSA-N 1 0 395.345 2.979 20 0 GFADRO CSc1nnc(CNC(=O)N(Cc2ccco2)C2CC[NH+](C)CC2)s1 ZINC000275617320 655244370 /nfs/dbraw/zinc/24/43/70/655244370.db2.gz HQRHHCKJRJZNNR-UHFFFAOYSA-N 1 0 381.527 2.659 20 0 GFADRO C[C@H]([NH2+]C[C@@H]1CCn2ncc(C(N)=O)c2C1)c1cccc(Br)c1 ZINC000275697963 655247534 /nfs/dbraw/zinc/24/75/34/655247534.db2.gz XINNDCLHEHAORS-NWDGAFQWSA-N 1 0 377.286 2.658 20 0 GFADRO C[NH+](C)CC[C@@H](NC(=O)C(=O)Nc1cccc(Br)c1)C(C)(C)C ZINC000116589300 655249847 /nfs/dbraw/zinc/24/98/47/655249847.db2.gz QWIXKBUGQWDQLR-CQSZACIVSA-N 1 0 384.318 2.870 20 0 GFADRO NC(=O)C[C@@H]1CCCC[N@@H+]1Cc1nnc(-c2ccccc2Br)o1 ZINC000116715803 655252244 /nfs/dbraw/zinc/25/22/44/655252244.db2.gz MKMUCLFSRSMRAH-NSHDSACASA-N 1 0 379.258 2.729 20 0 GFADRO C[NH+](C)CCN(Cc1ccco1)S(=O)(=O)c1ccc(Cl)nc1Cl ZINC000176708808 655253075 /nfs/dbraw/zinc/25/30/75/655253075.db2.gz KUIDTOBSYSZLAN-UHFFFAOYSA-N 1 0 378.281 2.734 20 0 GFADRO CC(=O)Nc1nc(C(=O)Nc2ccc(OCC[NH+](C)C)c(Cl)c2)cs1 ZINC000116816876 655254070 /nfs/dbraw/zinc/25/40/70/655254070.db2.gz NXENHPXDSWFDPX-UHFFFAOYSA-N 1 0 382.873 2.948 20 0 GFADRO CCO[C@@H]1C[C@]([NH3+])(C(=O)N[C@@H]2CCOc3ccc(Br)cc32)C1(C)C ZINC000275870121 655254277 /nfs/dbraw/zinc/25/42/77/655254277.db2.gz ZUGSDFCLIGAGBO-SIIHOXLZSA-N 1 0 397.313 2.921 20 0 GFADRO Cc1c(Br)cccc1NC(=O)C(=O)N(C)[C@H](C)C1CC[NH+](C)CC1 ZINC000275944182 655255963 /nfs/dbraw/zinc/25/59/63/655255963.db2.gz XONHOAIWAVYKFD-CYBMUJFWSA-N 1 0 396.329 2.885 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)N[C@H](C)C1=CC[N@H+](C)CC1 ZINC000275965726 655256754 /nfs/dbraw/zinc/25/67/54/655256754.db2.gz CTRRBPHGLFLPLD-CYBMUJFWSA-N 1 0 394.313 2.771 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000276098407 655262144 /nfs/dbraw/zinc/26/21/44/655262144.db2.gz QJAKFYBSHZTZPJ-LRDDRELGSA-N 1 0 396.329 2.749 20 0 GFADRO COc1cc(C(=O)N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)cc(OC)c1Br ZINC000177035170 655265479 /nfs/dbraw/zinc/26/54/79/655265479.db2.gz WFXKBTHIXKTAGT-JQWIXIFHSA-N 1 0 383.286 2.821 20 0 GFADRO C[NH+]1CCC(CNC(=O)c2nn(-c3ccc(F)cc3)cc2Br)CC1 ZINC000117778658 655267806 /nfs/dbraw/zinc/26/78/06/655267806.db2.gz QHWIXCLKXBRUOS-UHFFFAOYSA-N 1 0 395.276 2.846 20 0 GFADRO CC[C@H](C)[NH+]1CCN(C(=O)CCN2C(=S)N=NC2c2cccs2)CC1 ZINC000839788163 661107155 /nfs/dbraw/zinc/10/71/55/661107155.db2.gz ZMMZOTWKARHWDH-ZDUSSCGKSA-N 1 0 379.555 2.628 20 0 GFADRO C[N@H+](CCNC(=O)Nc1cccc(S(=O)(=O)C(F)F)c1)C1CCCC1 ZINC000118019254 655271039 /nfs/dbraw/zinc/27/10/39/655271039.db2.gz MYCAMHRPQPMGHH-UHFFFAOYSA-N 1 0 375.441 2.679 20 0 GFADRO Cc1csc(Sc2ccc(NC(=O)C(=O)NCC[NH+](C)C)cc2Cl)n1 ZINC000118094562 655271500 /nfs/dbraw/zinc/27/15/00/655271500.db2.gz NNHQWNVJOAICRQ-UHFFFAOYSA-N 1 0 398.941 2.872 20 0 GFADRO Cc1ccc(NC(=O)C(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)c(Br)c1 ZINC000118111318 655271879 /nfs/dbraw/zinc/27/18/79/655271879.db2.gz NKASHIWSQOHOKS-AWEZNQCLSA-N 1 0 396.329 2.933 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000118129629 655272430 /nfs/dbraw/zinc/27/24/30/655272430.db2.gz NYELWNLBRCPIEQ-GFCCVEGCSA-N 1 0 382.302 2.603 20 0 GFADRO CN(CC[N@H+](C)C1CCN(C)CC1)CC(=O)Nc1cccc(Cl)c1Cl ZINC000177381974 655274638 /nfs/dbraw/zinc/27/46/38/655274638.db2.gz SFIDAEZARYWFMG-UHFFFAOYSA-N 1 0 387.355 2.890 20 0 GFADRO COC(=O)CCCCCS(=O)(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000276431259 655275670 /nfs/dbraw/zinc/27/56/70/655275670.db2.gz DCHDNVVHQNZKBY-HNNXBMFYSA-N 1 0 388.555 2.538 20 0 GFADRO O=C(NCc1cc(Br)cs1)N1CC[NH+](C2CCOCC2)CC1 ZINC000177414202 655275935 /nfs/dbraw/zinc/27/59/35/655275935.db2.gz ZNXWWXXLMJJNRF-UHFFFAOYSA-N 1 0 388.331 2.517 20 0 GFADRO CCN(CCC[NH+]1CCCC1)C(=O)c1cncc(I)c1 ZINC000276478212 655276841 /nfs/dbraw/zinc/27/68/41/655276841.db2.gz QGHOHNSBYJPOHJ-UHFFFAOYSA-N 1 0 387.265 2.634 20 0 GFADRO COc1cc(Br)c(OCCN2CC[NH2+]CC2)cc1Br ZINC000118642368 655279791 /nfs/dbraw/zinc/27/97/91/655279791.db2.gz NAHJOZDMHOLERA-UHFFFAOYSA-N 1 0 394.107 2.504 20 0 GFADRO O=C(CNC(=O)C[N@H+]1C[C@@H]2CCCC[C@@H]2C1)Nc1ccccc1Br ZINC000177578095 655282362 /nfs/dbraw/zinc/28/23/62/655282362.db2.gz LIIULQCJUHUFNA-OKILXGFUSA-N 1 0 394.313 2.626 20 0 GFADRO C[C@@H](CNC(=O)C(=O)Nc1ccc(Br)cc1)C[NH+]1CCCCC1 ZINC000118895890 655283109 /nfs/dbraw/zinc/28/31/09/655283109.db2.gz BDNKVQIQMRMWRM-ZDUSSCGKSA-N 1 0 382.302 2.626 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)C(=O)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000118895778 655283148 /nfs/dbraw/zinc/28/31/48/655283148.db2.gz GUBUDYHCUZYPAK-CYBMUJFWSA-N 1 0 396.329 2.934 20 0 GFADRO CCNC(=O)C1(C[NH2+]Cc2cc(OC)c(OC)cc2Br)CCC1 ZINC000276766248 655286878 /nfs/dbraw/zinc/28/68/78/655286878.db2.gz ATRFTBOQFHGPEW-UHFFFAOYSA-N 1 0 385.302 2.862 20 0 GFADRO Brc1ccc(OCc2ccccn2)c(C[NH2+]CCc2nnc[nH]2)c1 ZINC000119059400 655288252 /nfs/dbraw/zinc/28/82/52/655288252.db2.gz VUUPASWRPYNGPO-UHFFFAOYSA-N 1 0 388.269 2.874 20 0 GFADRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1c(F)cccc1I ZINC000119097829 655290241 /nfs/dbraw/zinc/29/02/41/655290241.db2.gz YUIUHYUCPSLFEL-GWCFXTLKSA-N 1 0 390.240 2.843 20 0 GFADRO C[NH+](C)[C@@H]1CCCN(S(=O)(=O)c2cc(Br)ccc2F)CC1 ZINC000276930670 655293704 /nfs/dbraw/zinc/29/37/04/655293704.db2.gz AEPANMVUXNMMDJ-GFCCVEGCSA-N 1 0 379.295 2.693 20 0 GFADRO CCC[C@@H]1CN(C(=O)Nc2ccc(Br)nc2)CC[N@@H+]1CCOC ZINC000119228892 655294179 /nfs/dbraw/zinc/29/41/79/655294179.db2.gz ABEQXGPMMZUSBN-CQSZACIVSA-N 1 0 385.306 2.809 20 0 GFADRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)C(=O)Nc2ccc(Br)cc2F)C1 ZINC000178002519 655294833 /nfs/dbraw/zinc/29/48/33/655294833.db2.gz WRUZVAFEWJIJGA-RYUDHWBXSA-N 1 0 386.265 2.516 20 0 GFADRO O=C(c1[nH]c2ccccc2c1Br)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000178082006 655296856 /nfs/dbraw/zinc/29/68/56/655296856.db2.gz OFUHNCVNFVYRET-ZDUSSCGKSA-N 1 0 392.297 2.725 20 0 GFADRO O=C(c1[nH]c2ccccc2c1Br)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000178082016 655296967 /nfs/dbraw/zinc/29/69/67/655296967.db2.gz OFUHNCVNFVYRET-CYBMUJFWSA-N 1 0 392.297 2.725 20 0 GFADRO CCC[NH+]1CCC(NC(=O)N[C@H](CO)c2cccc(Br)c2)CC1 ZINC000119290565 655297050 /nfs/dbraw/zinc/29/70/50/655297050.db2.gz JKLLSTAILJUOSD-MRXNPFEDSA-N 1 0 384.318 2.656 20 0 GFADRO C[NH+](C)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Br)cc2)CC1 ZINC000277082563 655302288 /nfs/dbraw/zinc/30/22/88/655302288.db2.gz UKCQKWTZSLJKAR-OAHLLOKOSA-N 1 0 375.332 2.695 20 0 GFADRO COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)N[C@H](C)C1=CC[N@H+](C)CC1 ZINC000277083230 655302293 /nfs/dbraw/zinc/30/22/93/655302293.db2.gz YDWFVVHEKARSDH-SNVBAGLBSA-N 1 0 386.279 2.707 20 0 GFADRO COC(=O)c1ccc(Cl)cc1S(=O)(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000178546156 655304574 /nfs/dbraw/zinc/30/45/74/655304574.db2.gz XHPKWFAFPVFPFH-HNNXBMFYSA-N 1 0 390.933 2.771 20 0 GFADRO COC(=O)[C@@]1(NC(=O)[C@@H]2CC2(Cl)Cl)CCC[N@H+](Cc2ccccc2)C1 ZINC000119651053 655310113 /nfs/dbraw/zinc/31/01/13/655310113.db2.gz ADUKHMRUVNHDSI-WMLDXEAASA-N 1 0 385.291 2.504 20 0 GFADRO Cc1csc(C(=O)NCc2ccc(C(=O)NCC[NH+](C)C)cc2)c1Cl ZINC000277261046 655310194 /nfs/dbraw/zinc/31/01/94/655310194.db2.gz NBMLQVPHASTCIC-UHFFFAOYSA-N 1 0 379.913 2.931 20 0 GFADRO CCCN(C1CC[NH2+]CC1)S(=O)(=O)c1cc(Br)cnc1Cl ZINC000178970425 655310909 /nfs/dbraw/zinc/31/09/09/655310909.db2.gz WSVPPXZMBNVXSQ-UHFFFAOYSA-N 1 0 396.738 2.650 20 0 GFADRO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)c1ccnc(Br)c1 ZINC000179553793 655314412 /nfs/dbraw/zinc/31/44/12/655314412.db2.gz WWZDBNPZTKZHBE-UHFFFAOYSA-N 1 0 375.270 2.886 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CNC(=O)C[C@H](NC(C)=O)c1ccc(Br)cc1 ZINC000119785108 655315266 /nfs/dbraw/zinc/31/52/66/655315266.db2.gz WUPLKLFCLRVTBG-IRXDYDNUSA-N 1 0 396.329 2.617 20 0 GFADRO Cc1[nH]cc(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c(=O)c1Br ZINC000119798590 655315863 /nfs/dbraw/zinc/31/58/63/655315863.db2.gz CMWTWPTXHGXKAK-IUODEOHRSA-N 1 0 394.313 2.947 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2cccc(Br)c2)[C@H](C)C1 ZINC000119829252 655317230 /nfs/dbraw/zinc/31/72/30/655317230.db2.gz PMCZTYOHGSYHST-DOMZBBRYSA-N 1 0 382.302 2.576 20 0 GFADRO COC(=O)c1cc(NC(=O)N2CC[C@H]([NH+](C)C)C2)cc(Br)c1F ZINC000277478224 655321977 /nfs/dbraw/zinc/32/19/77/655321977.db2.gz NVHJGMNZYYFJKH-JTQLQIEISA-N 1 0 388.237 2.543 20 0 GFADRO Cc1ccc(NC(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)c(Br)n1 ZINC000277496589 655322861 /nfs/dbraw/zinc/32/28/61/655322861.db2.gz PEPKKEWLQJYNHA-CYBMUJFWSA-N 1 0 385.306 2.775 20 0 GFADRO O[C@@H](C[NH2+]C1(c2cccc(Br)c2)CCC1)COC1CCOCC1 ZINC000119967090 655323101 /nfs/dbraw/zinc/32/31/01/655323101.db2.gz YMHQKTMHXARCEQ-INIZCTEOSA-N 1 0 384.314 2.974 20 0 GFADRO CCC[C@H](CC)[NH2+][C@@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000180452121 655326945 /nfs/dbraw/zinc/32/69/45/655326945.db2.gz MFPMAAUREQOMRR-ZFWWWQNUSA-N 1 0 376.544 2.642 20 0 GFADRO C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)Nc1cc(Br)ccc1F ZINC000120103370 655327738 /nfs/dbraw/zinc/32/77/38/655327738.db2.gz NAYBPQOJXLJCJQ-NSHDSACASA-N 1 0 386.265 2.517 20 0 GFADRO NC(=O)[C@H](c1ccc(Br)cc1F)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000120131752 655328861 /nfs/dbraw/zinc/32/88/61/655328861.db2.gz NCXZHBZDNKBLPH-BBRMVZONSA-N 1 0 384.293 2.675 20 0 GFADRO Cc1cc(COc2ccc(C(=O)N[C@@H]3CCC[NH2+]C3)cc2Br)on1 ZINC000120140477 655329069 /nfs/dbraw/zinc/32/90/69/655329069.db2.gz DZQIJNPDULPSQP-CYBMUJFWSA-N 1 0 394.269 2.806 20 0 GFADRO CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@H]1[NH2+]CCS(=O)(=O)C(C)(C)C ZINC000180891509 655331153 /nfs/dbraw/zinc/33/11/53/655331153.db2.gz WZDHNOROFCTISD-LSDHHAIUSA-N 1 0 376.563 2.873 20 0 GFADRO CC(C)OCCCC[NH2+][C@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000281125835 655332296 /nfs/dbraw/zinc/33/22/96/655332296.db2.gz MYBJUSANESNDFM-GFCCVEGCSA-N 1 0 393.347 2.952 20 0 GFADRO C[C@@H](C(=O)NCCN1CC[N@H+](C)C(C)(C)C1)c1ccc(Br)cc1 ZINC000281828651 655338475 /nfs/dbraw/zinc/33/84/75/655338475.db2.gz RVBICDDXTGUUSF-CQSZACIVSA-N 1 0 382.346 2.695 20 0 GFADRO Cn1ccnc1[C@H](O)C1CC[NH+](C[C@@H](O)c2ccc(Br)cc2)CC1 ZINC000120570058 655339512 /nfs/dbraw/zinc/33/95/12/655339512.db2.gz OQHOKBFMHYHTGX-IAGOWNOFSA-N 1 0 394.313 2.662 20 0 GFADRO C[NH+]1CCN(c2ncccc2CNC(=O)c2cscc2Br)CC1 ZINC000285002588 655343016 /nfs/dbraw/zinc/34/30/16/655343016.db2.gz GIWKDUGYSOWFDU-UHFFFAOYSA-N 1 0 395.326 2.587 20 0 GFADRO C[C@H](Oc1ccccc1Br)C(=O)NCCC[NH2+]Cc1cccnc1 ZINC000120848503 655345389 /nfs/dbraw/zinc/34/53/89/655345389.db2.gz DEXIKRPTLCPUBA-AWEZNQCLSA-N 1 0 392.297 2.908 20 0 GFADRO C[C@]1(O)CCC[N@H+](CN2CC[C@@H](c3cccc(Br)c3)C2=O)CC1 ZINC000840059591 661128173 /nfs/dbraw/zinc/12/81/73/661128173.db2.gz ADAMLDNFDNIRHS-WMZOPIPTSA-N 1 0 381.314 2.959 20 0 GFADRO C[C@@H](NC(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1)C(C)(C)C[NH+](C)C ZINC000121084125 655347701 /nfs/dbraw/zinc/34/77/01/655347701.db2.gz JYRPSSKUNXHDLV-LLVKDONJSA-N 1 0 377.457 2.781 20 0 GFADRO CC[NH+]1CCN(C[C@@H](C)CNS(=O)(=O)/C=C/c2cccc(Cl)c2)CC1 ZINC000184169801 655355571 /nfs/dbraw/zinc/35/55/71/655355571.db2.gz UVGXXLHBZQAPJX-MZTACXPWSA-N 1 0 385.961 2.504 20 0 GFADRO C[C@H]1C[NH+](CCCNC(=O)Cc2cscc2Br)C[C@H](C)O1 ZINC000292893356 655356280 /nfs/dbraw/zinc/35/62/80/655356280.db2.gz ZTWKSNZWUNGMAV-RYUDHWBXSA-N 1 0 375.332 2.669 20 0 GFADRO Cn1ncc(CCC[NH2+]C2CCN(Cc3ccccc3Br)CC2)n1 ZINC000292908824 655356733 /nfs/dbraw/zinc/35/67/33/655356733.db2.gz HCUSWZRPNBUWQP-UHFFFAOYSA-N 1 0 392.345 2.764 20 0 GFADRO CC[N@@H+]1CC[C@@H](CNC(=O)c2ccn(-c3ccc(Br)cc3)n2)C1 ZINC000293145631 655359330 /nfs/dbraw/zinc/35/93/30/655359330.db2.gz APQUCHOFIMVPGE-ZDUSSCGKSA-N 1 0 377.286 2.706 20 0 GFADRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2ccnc(Br)c2)cc1 ZINC000293910257 655362433 /nfs/dbraw/zinc/36/24/33/655362433.db2.gz WWDWLEFTQWWUOA-NSHDSACASA-N 1 0 384.299 2.603 20 0 GFADRO C[C@H](O)C[C@H]1CCC[N@@H+]1CN1CC[C@H](c2cccc(Br)c2)C1=O ZINC000840032529 661126315 /nfs/dbraw/zinc/12/63/15/661126315.db2.gz ZCRMHHOUQRHGAX-IAOVAPTHSA-N 1 0 381.314 2.958 20 0 GFADRO COC(=O)N1CCC([C@@H](C)[NH2+]C[C@@H](O)c2cccc(Br)c2)CC1 ZINC000186392688 655369294 /nfs/dbraw/zinc/36/92/94/655369294.db2.gz DUBZXUSQJZUPQC-MLGOLLRUSA-N 1 0 385.302 2.939 20 0 GFADRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+]C[C@H](O)c2ccc(F)cc2Cl)cc1 ZINC000187421417 655374308 /nfs/dbraw/zinc/37/43/08/655374308.db2.gz WMDXGBNZPZTVCY-GTNSWQLSSA-N 1 0 386.876 2.771 20 0 GFADRO CN1Cc2ccc(NC(=O)C(=O)NCc3csc(Br)c3)cc2C1 ZINC000299091809 655374387 /nfs/dbraw/zinc/37/43/87/655374387.db2.gz MGRGTXRBAQINGW-UHFFFAOYSA-N 1 0 394.294 2.711 20 0 GFADRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)C(=O)Nc1cc(Cl)c(N)c(Cl)c1 ZINC000299090145 655374393 /nfs/dbraw/zinc/37/43/93/655374393.db2.gz UMADMNUZZJMOPX-ZYHUDNBSSA-N 1 0 385.295 2.599 20 0 GFADRO CCC[N@@H+]1CC[C@H](CNC(=O)N(C)C[C@H](O)c2cccc(Br)c2)C1 ZINC000299090614 655374431 /nfs/dbraw/zinc/37/44/31/655374431.db2.gz WDAKBBCWVUOIJI-PBHICJAKSA-N 1 0 398.345 2.856 20 0 GFADRO CCC[N@@H+]1CC[C@@H](CNC(=O)N(C)C[C@@H](O)c2cccc(Br)c2)C1 ZINC000299090622 655374435 /nfs/dbraw/zinc/37/44/35/655374435.db2.gz WDAKBBCWVUOIJI-WMLDXEAASA-N 1 0 398.345 2.856 20 0 GFADRO C[C@@H](Nc1ccc(CC[NH+]2CCSCC2)cc1)C(=O)NCC(F)(F)F ZINC000299390150 655375471 /nfs/dbraw/zinc/37/54/71/655375471.db2.gz GGYCNZKRZRJIBI-CYBMUJFWSA-N 1 0 375.460 2.757 20 0 GFADRO Nc1c(Cl)cc(NC(=O)C(=O)NC2CC[NH+](C3CCC3)CC2)cc1Cl ZINC000299469355 655376426 /nfs/dbraw/zinc/37/64/26/655376426.db2.gz YJEUWAQHLQSLIE-UHFFFAOYSA-N 1 0 385.295 2.647 20 0 GFADRO CC(C)(CNC(=O)c1[nH]nc2c1C[NH2+]CC2)c1cccc(Br)c1 ZINC000188500808 655380252 /nfs/dbraw/zinc/38/02/52/655380252.db2.gz SHZJFAXGVQERHP-UHFFFAOYSA-N 1 0 377.286 2.526 20 0 GFADRO O[C@H](C[NH2+]CCn1cc(Br)cn1)c1ccc(C(F)(F)F)cc1 ZINC000319095343 655381408 /nfs/dbraw/zinc/38/14/08/655381408.db2.gz NXMFNHJSNCUVAY-CYBMUJFWSA-N 1 0 378.192 2.988 20 0 GFADRO CC[NH+](CC)C[C@@H](C)Nc1cnn(CC(F)(F)F)c(=O)c1Br ZINC000319235451 655381559 /nfs/dbraw/zinc/38/15/59/655381559.db2.gz WBOHVOWHLQYTIY-SECBINFHSA-N 1 0 385.228 2.710 20 0 GFADRO Cc1ccsc1-c1nn(CN2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)c(=S)o1 ZINC000188842311 655382278 /nfs/dbraw/zinc/38/22/78/655382278.db2.gz LZVUNNJIPOKWME-ZDUSSCGKSA-N 1 0 382.555 2.977 20 0 GFADRO O=C([C@@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000333782412 655388126 /nfs/dbraw/zinc/38/81/26/655388126.db2.gz DXBNYZJYQVFPFI-KZULUSFZSA-N 1 0 382.291 2.701 20 0 GFADRO Cc1cc(C(F)(F)F)ccc1C[NH2+]C1CCN(CCS(C)(=O)=O)CC1 ZINC000190956039 655396162 /nfs/dbraw/zinc/39/61/62/655396162.db2.gz NKPCWZLHADDBDI-UHFFFAOYSA-N 1 0 378.460 2.612 20 0 GFADRO O=c1ccn(C[N@H+]2CC[C@@](O)(C(F)(F)F)C2)c2c(Br)cccc12 ZINC000191431809 655398569 /nfs/dbraw/zinc/39/85/69/655398569.db2.gz GUPZJCHCMMVWCF-AWEZNQCLSA-N 1 0 391.187 2.721 20 0 GFADRO O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)C1(c2ccc(Br)cc2)CC1 ZINC000366194883 655399642 /nfs/dbraw/zinc/39/96/42/655399642.db2.gz JHNWGLBBODSIKY-KRWDZBQOSA-N 1 0 393.325 2.850 20 0 GFADRO O=C(Cc1csc(-c2cccs2)n1)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000366196079 655399701 /nfs/dbraw/zinc/39/97/01/655399701.db2.gz PIANPVMMABAIGW-OAHLLOKOSA-N 1 0 377.535 2.784 20 0 GFADRO O[C@@H](COCC(F)(F)F)C[N@@H+]1CCC[C@@H](c2cc(C(F)(F)F)n[nH]2)C1 ZINC000366583790 655400169 /nfs/dbraw/zinc/40/01/69/655400169.db2.gz PSSYMDFRTQXWQU-NXEZZACHSA-N 1 0 375.313 2.548 20 0 GFADRO Cn1nc(Br)cc1C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000191928503 655401439 /nfs/dbraw/zinc/40/14/39/655401439.db2.gz KZTJXXSCEQZUNO-CQSZACIVSA-N 1 0 377.286 2.577 20 0 GFADRO O=C(NCC[C@@H]1CCC[NH2+]C1)N[C@@H](CCO)c1ccccc1Br ZINC000418337155 655405604 /nfs/dbraw/zinc/40/56/04/655405604.db2.gz BFXQOABRHIMZND-BBRMVZONSA-N 1 0 384.318 2.562 20 0 GFADRO O=C(N[C@H]1CCCC[NH2+]C1)C(=O)N(Cc1cccs1)Cc1cccs1 ZINC000419934768 655407165 /nfs/dbraw/zinc/40/71/65/655407165.db2.gz GPNYBSRNRHXYFL-AWEZNQCLSA-N 1 0 377.535 2.597 20 0 GFADRO O=S(=O)(c1cccc(Br)c1Cl)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000420478309 655407489 /nfs/dbraw/zinc/40/74/89/655407489.db2.gz WLAQABSOAJJTQZ-ZDUSSCGKSA-N 1 0 379.707 2.619 20 0 GFADRO C[NH+]1CCN(c2ccc(CNC(=O)/C=C/c3ccc(Cl)s3)cn2)CC1 ZINC000192986965 655407741 /nfs/dbraw/zinc/40/77/41/655407741.db2.gz XXQGOEOASLRZCD-QPJJXVBHSA-N 1 0 376.913 2.878 20 0 GFADRO O=C(c1ncc(Br)cc1Br)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000424032728 655407916 /nfs/dbraw/zinc/40/79/16/655407916.db2.gz WGDMUEJKOIHHEE-ZDUSSCGKSA-N 1 0 389.091 2.575 20 0 GFADRO COCC(COC)[NH2+][C@H](C)CCc1ccc(I)cc1 ZINC000449548199 655410229 /nfs/dbraw/zinc/41/02/29/655410229.db2.gz ZWUGAIPQWOSSSQ-GFCCVEGCSA-N 1 0 377.266 2.863 20 0 GFADRO CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cc(Cl)cc(Br)c2)C1 ZINC000453609909 655411963 /nfs/dbraw/zinc/41/19/63/655411963.db2.gz XBCLBJROVWFZLZ-GFCCVEGCSA-N 1 0 388.693 2.642 20 0 GFADRO CC[NH+](CC)[C@H]1CCN(S(=O)(=O)c2ccc(OCC(F)(F)F)cc2)C1 ZINC000462666900 655413885 /nfs/dbraw/zinc/41/38/85/655413885.db2.gz OOCWWLIGQQNIOC-ZDUSSCGKSA-N 1 0 380.432 2.733 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)c3ccc(-n4cc(Br)cn4)cc3)C[C@@H]21 ZINC000517922071 655419257 /nfs/dbraw/zinc/41/92/57/655419257.db2.gz DTJKZWAFDWPTBZ-XOKHGSTOSA-N 1 0 389.297 2.834 20 0 GFADRO COC(=O)c1c2cnn(C[N@H+]3CC[C@H](OC)[C@H](C)C3)c2ccc1Br ZINC000840127884 661137795 /nfs/dbraw/zinc/13/77/95/661137795.db2.gz ZLTHMRNFEGMGFA-ABAIWWIYSA-N 1 0 396.285 2.900 20 0 GFADRO [NH3+]C[C@H](NC(=O)c1ccc(F)cc1I)C1CCCC1 ZINC000236266269 655424597 /nfs/dbraw/zinc/42/45/97/655424597.db2.gz NQZPCGFWEVAIAV-ZDUSSCGKSA-N 1 0 376.213 2.678 20 0 GFADRO CC(=O)N[C@@H](CC(=O)N[C@@](C)(C[NH3+])CC(C)C)c1ccc(Br)cc1 ZINC000236686601 655424817 /nfs/dbraw/zinc/42/48/17/655424817.db2.gz PPJJMTCZGKVRSS-FUHWJXTLSA-N 1 0 398.345 2.896 20 0 GFADRO COC(=O)c1cc(S(=O)(=O)N(C)CC[C@H]([NH3+])C(C)C)c(Cl)cc1Cl ZINC000237143155 655425659 /nfs/dbraw/zinc/42/56/59/655425659.db2.gz MLIKNHKKEYWYHW-ZDUSSCGKSA-N 1 0 397.324 2.774 20 0 GFADRO C[NH2+]C[C@H](C)C(=O)NCCSCCOc1cccc(Br)c1 ZINC000237319067 655426080 /nfs/dbraw/zinc/42/60/80/655426080.db2.gz QIXVUEAYTHWOQM-LBPRGKRZSA-N 1 0 375.332 2.533 20 0 GFADRO CSCC[C@@H](NC(=O)c1ccccc1Cl)C(=O)NC1CCC([NH3+])CC1 ZINC000237291649 655426117 /nfs/dbraw/zinc/42/61/17/655426117.db2.gz MDBSQDFCPJGGAG-SEEARECTSA-N 1 0 383.945 2.578 20 0 GFADRO O=C1[C@H]([NH2+]C[C@@H](O)COCc2cccs2)CCN1c1ccccc1Cl ZINC000574191835 655426094 /nfs/dbraw/zinc/42/60/94/655426094.db2.gz IYMUHCDSILTPKH-CZUORRHYSA-N 1 0 380.897 2.674 20 0 GFADRO C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)N1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000574201407 655426374 /nfs/dbraw/zinc/42/63/74/655426374.db2.gz QRGOTUBIGDKMEX-CHWSQXEVSA-N 1 0 387.307 2.975 20 0 GFADRO Cc1ccc(-n2nc(Br)cc2C(=O)NC2CCC([NH3+])CC2)cc1 ZINC000237821794 655426525 /nfs/dbraw/zinc/42/65/25/655426525.db2.gz QZZVQDCOJIJTLV-UHFFFAOYSA-N 1 0 377.286 2.943 20 0 GFADRO COC(=O)[C@@H](NC(=O)C[NH2+]C(C)(C)Cc1ccc(Br)cc1)C(C)C ZINC000574243942 655427135 /nfs/dbraw/zinc/42/71/35/655427135.db2.gz VURMRKNTDDMGOZ-INIZCTEOSA-N 1 0 399.329 2.674 20 0 GFADRO C[C@@H](C(=O)Nc1cccc(Br)c1)[N@@H+]1CCC[C@@H](C2OCCO2)C1 ZINC000245389599 655427485 /nfs/dbraw/zinc/42/74/85/655427485.db2.gz IRFZDVUWSJXJRS-QWHCGFSZSA-N 1 0 383.286 2.861 20 0 GFADRO CO[C@@H]1CCN(C(=O)Nc2ccc(Br)c(C3CC3)n2)[C@@H](C[NH3+])C1 ZINC000574294117 655428313 /nfs/dbraw/zinc/42/83/13/655428313.db2.gz NOGCVXYZYRBQKT-VXGBXAGGSA-N 1 0 383.290 2.692 20 0 GFADRO O[C@H](C[NH2+]CCOc1ccc(I)cc1)CC(F)(F)F ZINC000574805717 655431024 /nfs/dbraw/zinc/43/10/24/655431024.db2.gz IMDYOUWCIXNNAB-JTQLQIEISA-N 1 0 389.155 2.573 20 0 GFADRO CSCC[C@H]1NC(=S)N(C[C@H](C2CC2)[N@H+](C)Cc2ccccc2)C1=O ZINC000248558263 655432770 /nfs/dbraw/zinc/43/27/70/655432770.db2.gz MEWKTTOXWIFQCA-IAGOWNOFSA-N 1 0 377.579 2.735 20 0 GFADRO COc1ccccc1COC[C@H](O)C[NH2+]Cc1ccc(O)c(Br)c1 ZINC000575040289 655434573 /nfs/dbraw/zinc/43/45/73/655434573.db2.gz SKVQXZQQCPAJQT-OAHLLOKOSA-N 1 0 396.281 2.831 20 0 GFADRO C[C@](O)(C[NH2+]CCOc1ccc(I)cc1)C(F)(F)F ZINC000575798017 655437207 /nfs/dbraw/zinc/43/72/07/655437207.db2.gz NTSBGWKDBHOPJE-NSHDSACASA-N 1 0 389.155 2.573 20 0 GFADRO C[C@H](Cc1ccccc1Br)NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC000575933040 655440283 /nfs/dbraw/zinc/44/02/83/655440283.db2.gz ANFYDHTZRGAJTH-CYBMUJFWSA-N 1 0 379.302 2.568 20 0 GFADRO CCCN1C[C@@H](C[NH2+]CCC(=O)Nc2ccc(Br)cc2)CC1=O ZINC000575982042 655441427 /nfs/dbraw/zinc/44/14/27/655441427.db2.gz DLUKVAKFBJNYHH-CYBMUJFWSA-N 1 0 382.302 2.626 20 0 GFADRO C[C@]([NH3+])(C(=O)N1CCC(c2cn[nH]c2)CC1)c1ccc(Br)cc1 ZINC000261708678 655441865 /nfs/dbraw/zinc/44/18/65/655441865.db2.gz JBTBKIDCHWAXJE-QGZVFWFLSA-N 1 0 377.286 2.752 20 0 GFADRO CCOCCOc1ccc(Br)cc1NC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000576090198 655442945 /nfs/dbraw/zinc/44/29/45/655442945.db2.gz WGNFIWYOTUYAJZ-DOMZBBRYSA-N 1 0 398.301 2.690 20 0 GFADRO C[C@H](Cc1ccc(F)cc1Br)[NH2+]C[C@H]1CC[C@H](C(=O)N(C)C)O1 ZINC000576142244 655444247 /nfs/dbraw/zinc/44/42/47/655444247.db2.gz GOUNFKHHSBTWDW-DJSGYFEHSA-N 1 0 387.293 2.745 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCOc2cccc(Br)c2)CC1 ZINC000576161340 655444823 /nfs/dbraw/zinc/44/48/23/655444823.db2.gz ATKRQMHLXUAWRM-AEFFLSMTSA-N 1 0 397.313 2.573 20 0 GFADRO O=C(NC[C@H](O)COc1cccc(Cl)c1Cl)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000262435595 655445713 /nfs/dbraw/zinc/44/57/13/655445713.db2.gz LGPQYQKCBCGDGO-DHMWGJHJSA-N 1 0 387.307 2.770 20 0 GFADRO CCOC(=O)COc1c(Br)cc(C)cc1CN1C[C@H](C[NH3+])C[C@H]1C ZINC000576400102 655446812 /nfs/dbraw/zinc/44/68/12/655446812.db2.gz WEMDZMYGFIFYRI-KGLIPLIRSA-N 1 0 399.329 2.869 20 0 GFADRO COc1cc(C)c(Br)cc1S(=O)(=O)N1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000262764861 655446960 /nfs/dbraw/zinc/44/69/60/655446960.db2.gz TXQUJKMHSFXUKL-WCQYABFASA-N 1 0 391.331 2.657 20 0 GFADRO C[C@@H]1C[NH2+]CC[C@H]1NS(=O)(=O)c1cc(Cl)c(Br)cc1F ZINC000262756976 655447005 /nfs/dbraw/zinc/44/70/05/655447005.db2.gz IEHPPLVCYFSLRQ-RDDDGLTNSA-N 1 0 385.686 2.518 20 0 GFADRO O=C(CC[NH2+][C@H]1CCCN(CC(F)(F)F)C1=O)Nc1ccc(Cl)cc1 ZINC000576631183 655450140 /nfs/dbraw/zinc/45/01/40/655450140.db2.gz YTSOKCGITYLWOU-ZDUSSCGKSA-N 1 0 377.794 2.812 20 0 GFADRO Cn1nc(Br)c2c1ncnc2NC[C@@H](c1ccsc1)[NH+](C)C ZINC000263966816 655455162 /nfs/dbraw/zinc/45/51/62/655455162.db2.gz SLQIHSGLLQYHQX-JTQLQIEISA-N 1 0 381.303 2.902 20 0 GFADRO OC[C@H](C[NH2+]C[C@H](O)COc1ccc(Cl)cc1)Cc1ccncc1Cl ZINC000577396597 655458623 /nfs/dbraw/zinc/45/86/23/655458623.db2.gz WEYYCLNRMCZWKM-BBRMVZONSA-N 1 0 385.291 2.569 20 0 GFADRO CN(C)C(=O)[C@H]1CC[N@H+](Cn2ccc(-c3ccc(Br)cc3)n2)C1 ZINC000840174907 661143834 /nfs/dbraw/zinc/14/38/34/661143834.db2.gz PKYSJEBVHJPZRA-AWEZNQCLSA-N 1 0 377.286 2.680 20 0 GFADRO C[N@@H+]1CC[C@H](CNC(=O)C2(c3ccc(Br)cc3)CCOCC2)C1 ZINC000264260296 655459875 /nfs/dbraw/zinc/45/98/75/655459875.db2.gz JHILFDFYSMOHEQ-CQSZACIVSA-N 1 0 381.314 2.565 20 0 GFADRO NS(=O)(=O)c1ccc(NC[C@@H]2CCCC[N@@H+]2C2CC2)c(C(F)(F)F)c1 ZINC000577460110 655460137 /nfs/dbraw/zinc/46/01/37/655460137.db2.gz PKBHQTVCQJZKHI-LBPRGKRZSA-N 1 0 377.432 2.782 20 0 GFADRO COc1c(Cl)cc(NC(=O)N[C@H](C)CN2CC[NH+](C)CC2)cc1Cl ZINC000264399248 655462833 /nfs/dbraw/zinc/46/28/33/655462833.db2.gz CINPFIGBPHDQKG-LLVKDONJSA-N 1 0 375.300 2.759 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)N[C@@H](C)CC[NH+](C)C ZINC000264477486 655464549 /nfs/dbraw/zinc/46/45/49/655464549.db2.gz WKVVRWQEOAXRJF-LSDHHAIUSA-N 1 0 386.583 2.807 20 0 GFADRO CCS(=O)(=O)N1CCC(C[NH2+][C@@H]2CCc3cc(F)c(F)c(F)c32)CC1 ZINC000577822747 655467779 /nfs/dbraw/zinc/46/77/79/655467779.db2.gz HEDWYHQBRGUAIJ-CQSZACIVSA-N 1 0 376.444 2.743 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@@H](NS(=O)(=O)c2c(F)cccc2OC(F)(F)F)C1 ZINC000577847848 655468344 /nfs/dbraw/zinc/46/83/44/655468344.db2.gz LEMZZMNXVJRDKF-GHMZBOCLSA-N 1 0 384.395 2.875 20 0 GFADRO CN(CCCN1CC[NH+](C)CC1)C(=O)c1ccc(C2SCCS2)cc1 ZINC000264702902 655468889 /nfs/dbraw/zinc/46/88/89/655468889.db2.gz CIWGQQOHRLJMND-UHFFFAOYSA-N 1 0 379.595 2.875 20 0 GFADRO Cc1sc2nc(CS[C@H](C)C(=O)N[C@@H](C)CCC[NH3+])[nH]c(=O)c2c1C ZINC000578011855 655471088 /nfs/dbraw/zinc/47/10/88/655471088.db2.gz CJDONVFHIUIZGA-JOYOIKCWSA-N 1 0 382.555 2.879 20 0 GFADRO C[C@H]([NH2+]C[C@@H]1CS(=O)(=O)c2ccccc2O1)c1cncc(Br)c1 ZINC000578084255 655472247 /nfs/dbraw/zinc/47/22/47/655472247.db2.gz UJOHZDFQJJTKRK-SMDDNHRTSA-N 1 0 397.294 2.730 20 0 GFADRO O=C(NCCC[C@H]1CCC[NH2+]1)[C@H]1CSCN1C(=O)c1ccc(Cl)cc1 ZINC000578126959 655473113 /nfs/dbraw/zinc/47/31/13/655473113.db2.gz JTOSGBNQYYPBKP-HZPDHXFCSA-N 1 0 381.929 2.504 20 0 GFADRO C[NH+](C)C1(CNC(=O)C2(c3ccc(Br)cc3)CC2)CCOCC1 ZINC000265009990 655475869 /nfs/dbraw/zinc/47/58/69/655475869.db2.gz KJOXVDTZASWTEF-UHFFFAOYSA-N 1 0 381.314 2.708 20 0 GFADRO CSC1(CNC(=O)COc2cccc(Br)c2)CC[NH+](C)CC1 ZINC000578313367 655476481 /nfs/dbraw/zinc/47/64/81/655476481.db2.gz JHDQOWDUSMIVQT-UHFFFAOYSA-N 1 0 387.343 2.772 20 0 GFADRO CN(C)S(=O)(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccc(F)c(Cl)c1Cl ZINC000578465864 655479729 /nfs/dbraw/zinc/47/97/29/655479729.db2.gz DLOAMJVKIIWXNC-GFCCVEGCSA-N 1 0 398.331 2.883 20 0 GFADRO O=C(CC[N@@H+]1CCC[C@H](n2ccnn2)C1)Nc1ccc(Br)cc1 ZINC000578500891 655480532 /nfs/dbraw/zinc/48/05/32/655480532.db2.gz LIOOHTPOQWFDPG-HNNXBMFYSA-N 1 0 378.274 2.706 20 0 GFADRO CN(CCCN1CC[NH+](C)CC1)C(=O)/C=C/c1csc(Br)c1 ZINC000265304627 655480766 /nfs/dbraw/zinc/48/07/66/655480766.db2.gz VYNQZPKRBHWAJQ-SNAWJCMRSA-N 1 0 386.359 2.620 20 0 GFADRO COc1c(Cl)cc(NC(=O)C(=O)NCC(C)(C)C[NH+](C)C)cc1Cl ZINC000265420390 655483123 /nfs/dbraw/zinc/48/31/23/655483123.db2.gz ISJYIMDOIDAHNK-UHFFFAOYSA-N 1 0 376.284 2.645 20 0 GFADRO Cc1ccc(SCC(F)(F)F)c(NC(=O)C(=O)NC[C@@H](C)[NH+](C)C)c1 ZINC000265583114 655486457 /nfs/dbraw/zinc/48/64/57/655486457.db2.gz XPYWYJWAJQIIRX-LLVKDONJSA-N 1 0 377.432 2.654 20 0 GFADRO CC(C)[C@@H](C(=O)N1CCN(Cc2ccc(Br)s2)CC1)[C@@H](C)[NH3+] ZINC000578864139 655488258 /nfs/dbraw/zinc/48/82/58/655488258.db2.gz ZOTNNZGKPMQVGP-IUODEOHRSA-N 1 0 388.375 2.774 20 0 GFADRO C[NH+](C)Cc1ccc(S(=O)(=O)NC[C@@H]2CSc3ccccc3O2)cc1 ZINC000579001006 655491322 /nfs/dbraw/zinc/49/13/22/655491322.db2.gz DKNXXWNZHMSYEE-OAHLLOKOSA-N 1 0 378.519 2.580 20 0 GFADRO COC[C@H]1CC[N@@H+]([C@H](C)C(=O)Nc2cccc(I)c2)C1 ZINC000265844289 655491775 /nfs/dbraw/zinc/49/17/75/655491775.db2.gz XMKFULNZXVVBOL-NEPJUHHUSA-N 1 0 388.249 2.587 20 0 GFADRO O=C(COc1ccc(F)cc1Br)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000265973270 655494292 /nfs/dbraw/zinc/49/42/92/655494292.db2.gz JPIDCPLKYJYBNY-CYBMUJFWSA-N 1 0 385.277 2.911 20 0 GFADRO O=C(N[C@@H]1CCOc2c(Br)cccc21)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000579572252 655501639 /nfs/dbraw/zinc/50/16/39/655501639.db2.gz QOZYYPOVQJIOGT-PBHICJAKSA-N 1 0 380.286 2.668 20 0 GFADRO COC[C@@]1(CNC(=O)Cc2csc(-c3ccc(Cl)cc3)n2)CCC[NH2+]1 ZINC000579597815 655501993 /nfs/dbraw/zinc/50/19/93/655501993.db2.gz GDSKHMNNHYEPHT-SFHVURJKSA-N 1 0 379.913 2.891 20 0 GFADRO Cc1cccc(S(=O)(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1Br ZINC000580073586 655507934 /nfs/dbraw/zinc/50/79/34/655507934.db2.gz PJYKDFYCUXZYIX-KGLIPLIRSA-N 1 0 387.343 2.768 20 0 GFADRO CC(C)CNC(=O)NC(=O)C[N@H+](C)CC1(c2ccc(Br)cc2)CC1 ZINC000580138590 655508843 /nfs/dbraw/zinc/50/88/43/655508843.db2.gz CRMZAECPCAMZIA-UHFFFAOYSA-N 1 0 396.329 2.894 20 0 GFADRO COC(=O)c1ccc(CN(CC[NH+](C)C)C[C@@H]2CCCO2)c(Br)c1 ZINC000580259336 655510540 /nfs/dbraw/zinc/51/05/40/655510540.db2.gz DMSTYVYZEHUIII-INIZCTEOSA-N 1 0 399.329 2.778 20 0 GFADRO COCc1cc(Cl)cc(S(=O)(=O)NC[C@H]2[NH2+]CCc3ccccc32)c1 ZINC000580325891 655511034 /nfs/dbraw/zinc/51/10/34/655511034.db2.gz BKQZCCFCUGTWFN-GOSISDBHSA-N 1 0 380.897 2.652 20 0 GFADRO CC(C)C[N@H+](C)CCCNC(=O)Cc1ccccc1I ZINC000593203033 655512050 /nfs/dbraw/zinc/51/20/50/655512050.db2.gz FVJAWCFJKPZNJN-UHFFFAOYSA-N 1 0 388.293 2.928 20 0 GFADRO CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(Cl)ccc1I ZINC000712311740 655522609 /nfs/dbraw/zinc/52/26/09/655522609.db2.gz TYLLSCUZKKWJBG-SNVBAGLBSA-N 1 0 378.641 2.769 20 0 GFADRO CCCC[N@@H+]1CCCC[C@H]1CNS(=O)(=O)c1c(Cl)nc2ccccn21 ZINC000726188501 655532032 /nfs/dbraw/zinc/53/20/32/655532032.db2.gz VUWGVFPELKAIRH-AWEZNQCLSA-N 1 0 384.933 2.921 20 0 GFADRO Cc1ccc(Cl)c(NC(=S)N2CCN(C(=O)C[NH+](C)C)CC2)c1Cl ZINC000728444572 655555430 /nfs/dbraw/zinc/55/54/30/655555430.db2.gz RWPZELVSNUEMJJ-UHFFFAOYSA-N 1 0 389.352 2.704 20 0 GFADRO NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)c3scnc3Cl)cc2)C1 ZINC000728473903 655555864 /nfs/dbraw/zinc/55/58/64/655555864.db2.gz RQYUFCVISGXSKN-GFCCVEGCSA-N 1 0 378.885 2.746 20 0 GFADRO O=C(CCCC[NH+]1CCCC1)N1CCN(c2ccc(Br)cn2)CC1 ZINC000729317241 655564037 /nfs/dbraw/zinc/56/40/37/655564037.db2.gz MTKSWFHCQYAOHH-UHFFFAOYSA-N 1 0 395.345 2.759 20 0 GFADRO O=C(NCc1ccc(C[NH+]2CCC(O)CC2)cc1)NC[C@H]1CC1(Cl)Cl ZINC000729497100 655565282 /nfs/dbraw/zinc/56/52/82/655565282.db2.gz IOENIEHMYULHBG-OAHLLOKOSA-N 1 0 386.323 2.636 20 0 GFADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]C[C@@H]1Cc2ccccc21 ZINC000729680965 655566696 /nfs/dbraw/zinc/56/66/96/655566696.db2.gz JQSQVNFHPNTDMK-LSDHHAIUSA-N 1 0 379.913 2.634 20 0 GFADRO COCC[N@@H+]1CCC[C@H](NC(=O)/C=C/c2ccc(C)cc2Br)C1 ZINC000729984260 655570798 /nfs/dbraw/zinc/57/07/98/655570798.db2.gz YKYAHESLZVJZAH-WAVCKPEOSA-N 1 0 381.314 2.998 20 0 GFADRO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)CN1C(=S)N=NC1c1cccs1 ZINC000730785082 655577891 /nfs/dbraw/zinc/57/78/91/655577891.db2.gz DEAKWZSDTDWMLX-STQMWFEESA-N 1 0 379.555 2.674 20 0 GFADRO C[NH+](C)CCNC(=S)NC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000731318373 655583152 /nfs/dbraw/zinc/58/31/52/655583152.db2.gz LKRQHAHHMHBWQY-UHFFFAOYSA-N 1 0 389.396 2.984 20 0 GFADRO Cc1cc(NCCC(=O)N(C)Cc2ccccc2Br)nc(N)[nH+]1 ZINC000732049266 655591122 /nfs/dbraw/zinc/59/11/22/655591122.db2.gz JBKUCBQUCHKEQL-UHFFFAOYSA-N 1 0 378.274 2.590 20 0 GFADRO C[N@H+](Cn1ccc(=O)c2cccc(Br)c21)[C@H]1CCN(C2CC2)C1 ZINC000732189989 655592619 /nfs/dbraw/zinc/59/26/19/655592619.db2.gz WDNANYIBOWBWRF-AWEZNQCLSA-N 1 0 376.298 2.890 20 0 GFADRO CC[N@H+](CC1CC1)CN1C(=O)N[C@](C)(c2ccc(Br)cc2)C1=O ZINC000732663259 655599744 /nfs/dbraw/zinc/59/97/44/655599744.db2.gz LVTWQTQYVOXIKR-QGZVFWFLSA-N 1 0 380.286 2.906 20 0 GFADRO O=C(Cc1ccc(Cl)cc1Br)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000733256073 655610775 /nfs/dbraw/zinc/61/07/75/655610775.db2.gz BBGQEPFWJXRRSE-ZIAGYGMSSA-N 1 0 387.705 2.624 20 0 GFADRO COCC[N@@H+]1CC[C@@H](NC(=S)Nc2ccc(OC(F)F)c(Cl)c2)C1 ZINC000735628794 655650173 /nfs/dbraw/zinc/65/01/73/655650173.db2.gz XDDLMWCBCXBHJM-LLVKDONJSA-N 1 0 379.860 2.949 20 0 GFADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)/C=C/c1ccc(I)o1 ZINC000736101143 655658961 /nfs/dbraw/zinc/65/89/61/655658961.db2.gz HKZXGNFQZCOVOI-WMADIVHISA-N 1 0 388.249 2.888 20 0 GFADRO Cc1ccc(/C=C\C(=O)NCCC[NH+]2CCC(O)CC2)c(Br)c1 ZINC000736191694 655660106 /nfs/dbraw/zinc/66/01/06/655660106.db2.gz KGNBKIPIVRDDEV-WAYWQWQTSA-N 1 0 381.314 2.734 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2c(Cl)nc3sccn32)C[C@H]1C ZINC000740893745 655700417 /nfs/dbraw/zinc/70/04/17/655700417.db2.gz DFIHUQBUDXONAI-GHMZBOCLSA-N 1 0 376.935 2.543 20 0 GFADRO C[C@H](CNC(=O)Nc1ccc(NS(C)(=O)=O)c(Cl)c1)[NH+]1CCCCC1 ZINC000741070644 655702665 /nfs/dbraw/zinc/70/26/65/655702665.db2.gz KLHMGCXFWJFAPK-GFCCVEGCSA-N 1 0 388.921 2.707 20 0 GFADRO Cc1ccc(/C=C\C(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)c(Br)c1 ZINC000742107118 655710114 /nfs/dbraw/zinc/71/01/14/655710114.db2.gz FTGLGDRHYKDZFZ-YIEVGGLXSA-N 1 0 393.325 2.951 20 0 GFADRO COC(=O)CC[N@H+](C[C@@H](O)c1ccc(Br)cc1)C1CCOCC1 ZINC000743872178 655732403 /nfs/dbraw/zinc/73/24/03/655732403.db2.gz LOLVSOMBWFREJZ-MRXNPFEDSA-N 1 0 386.286 2.527 20 0 GFADRO CC[C@H]1C[C@H](C)C[N@@H+]1CN1C(=O)C(=O)N(c2ccc(Br)cc2)C1=O ZINC000744442389 655740044 /nfs/dbraw/zinc/74/00/44/655740044.db2.gz ZILUWSZMUBXEFL-AAEUAGOBSA-N 1 0 394.269 2.822 20 0 GFADRO C[N@H+](CC1CC1)C[C@H]1CCN(Cn2nnn(Cc3cccs3)c2=S)C1 ZINC000746383635 655760733 /nfs/dbraw/zinc/76/07/33/655760733.db2.gz XOUOHDUCZKHEPB-OAHLLOKOSA-N 1 0 378.571 2.540 20 0 GFADRO O=C(CSCc1ccc(Br)cc1)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000747236437 655774823 /nfs/dbraw/zinc/77/48/23/655774823.db2.gz MTIADOHPHZNIQE-JKSUJKDBSA-N 1 0 399.354 2.662 20 0 GFADRO COc1ccc2nc(Cl)ccc2c1S(=O)(=O)N(CC[NH+](C)C)C(C)C ZINC000747887711 655785090 /nfs/dbraw/zinc/78/50/90/655785090.db2.gz HECZLFDZGGQJSJ-UHFFFAOYSA-N 1 0 385.917 2.858 20 0 GFADRO Cc1n[nH]c(C(=O)NC2CC[NH+]([C@H](C)c3ccncc3)CC2)c1Br ZINC000749065554 655799302 /nfs/dbraw/zinc/79/93/02/655799302.db2.gz BKXQSPNEUGCAGK-GFCCVEGCSA-N 1 0 392.301 2.831 20 0 GFADRO O=C(Nc1ccc(Br)cc1)C1CC[NH+](CCN2CCOC2=O)CC1 ZINC000749910627 655808825 /nfs/dbraw/zinc/80/88/25/655808825.db2.gz VIBXGONVQRRWCE-UHFFFAOYSA-N 1 0 396.285 2.552 20 0 GFADRO C[C@H]1C[NH+](Cc2ccc(CNC(=S)NCC(F)(F)F)cc2)C[C@H](C)O1 ZINC000750991940 655819961 /nfs/dbraw/zinc/81/99/61/655819961.db2.gz VYEZDABMGOGJKR-STQMWFEESA-N 1 0 375.460 2.822 20 0 GFADRO O=C(Cc1ccc(Br)c(F)c1)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000751963366 655836787 /nfs/dbraw/zinc/83/67/87/655836787.db2.gz MSJSXVMTWDAVQZ-HNNXBMFYSA-N 1 0 399.304 2.890 20 0 GFADRO CC(C)S(=O)(=O)CCC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000754311692 655866182 /nfs/dbraw/zinc/86/61/82/655866182.db2.gz HCLSGOCNYDMPND-HZPDHXFCSA-N 1 0 376.563 2.825 20 0 GFADRO CCOC(=O)C(F)(F)[C@H]1CC[C@@H]([NH2+]Cc2ccccc2S(C)(=O)=O)C1 ZINC000840863276 661196571 /nfs/dbraw/zinc/19/65/71/661196571.db2.gz MXQZHPCGUZWYJK-UONOGXRCSA-N 1 0 375.437 2.547 20 0 GFADRO COCCN(Cc1cc(Br)cs1)C(=S)NCCC[NH+](C)C ZINC000754856789 655875366 /nfs/dbraw/zinc/87/53/66/655875366.db2.gz HJRJCNUGAZYOSA-UHFFFAOYSA-N 1 0 394.404 2.785 20 0 GFADRO CC[C@@H]([NH2+]CCC(C)(C)S(C)(=O)=O)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000840876499 661198040 /nfs/dbraw/zinc/19/80/40/661198040.db2.gz NPCJJNQMOJGDND-CABCVRRESA-N 1 0 376.563 2.967 20 0 GFADRO CC(=O)N1CC[C@H](C[N@@H+](C)Cc2nnc(-c3ccc(Br)s3)o2)C1 ZINC000755045381 655879037 /nfs/dbraw/zinc/87/90/37/655879037.db2.gz MEENMDRQSGYJMM-LLVKDONJSA-N 1 0 399.314 2.861 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CNC(=S)N1CC(=O)Nc2ccc(Br)cc21 ZINC000755402273 655882878 /nfs/dbraw/zinc/88/28/78/655882878.db2.gz JMAIHUUYUKGTRW-LBPRGKRZSA-N 1 0 397.342 2.566 20 0 GFADRO C[C@@H]([NH2+]CC1(CS(C)(=O)=O)CCC1)c1cc(Br)ncc1F ZINC000840888987 661199068 /nfs/dbraw/zinc/19/90/68/661199068.db2.gz CYFUGRNZXZERRJ-SNVBAGLBSA-N 1 0 379.295 2.849 20 0 GFADRO O=c1c(Br)nn(C[N@@H+]2CCC[C@H]3COCC[C@@H]32)c2ccccc12 ZINC000755755061 655888550 /nfs/dbraw/zinc/88/85/50/655888550.db2.gz XLKSZIWPCMZZSX-JSGCOSHPSA-N 1 0 378.270 2.617 20 0 GFADRO CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CC(Br)=NN2c2ccc(C)cc2)C1 ZINC000756099650 655894879 /nfs/dbraw/zinc/89/48/79/655894879.db2.gz QMMRZLVAQYDINF-ZBFHGGJFSA-N 1 0 393.329 2.740 20 0 GFADRO C[C@@H]1CCC[N@@H+]1CCNC(=O)C(=O)Nc1ccc(Cl)c(Br)c1 ZINC000756189238 655896549 /nfs/dbraw/zinc/89/65/49/655896549.db2.gz CGTLJTGAIJZENL-SNVBAGLBSA-N 1 0 388.693 2.642 20 0 GFADRO COC(=O)N1CCC([NH2+]CC(=O)Nc2cc(Br)ccc2C)CC1 ZINC000756897060 655906703 /nfs/dbraw/zinc/90/67/03/655906703.db2.gz ZVUGKCUQMMYWHC-UHFFFAOYSA-N 1 0 384.274 2.516 20 0 GFADRO CCN(CCC[NH2+]Cc1ccc(S(C)(=O)=O)s1)C(=O)OC(C)(C)C ZINC000840895033 661201968 /nfs/dbraw/zinc/20/19/68/661201968.db2.gz ZNYOSEGXPMXEHX-UHFFFAOYSA-N 1 0 376.544 2.888 20 0 GFADRO COC(=O)c1cc(S(=O)(=O)NC[C@H](C)[N@@H+]2CCCC[C@@H]2C)ccc1Cl ZINC000757485116 655912253 /nfs/dbraw/zinc/91/22/53/655912253.db2.gz GSHOXBPJCKRSCJ-STQMWFEESA-N 1 0 388.917 2.668 20 0 GFADRO C[N@H+](Cc1ccccc1)[C@H]1CCN(S(=O)(=O)c2ccc(Br)o2)C1 ZINC000759052554 655945891 /nfs/dbraw/zinc/94/58/91/655945891.db2.gz VANUNSMPNQBFIW-AWEZNQCLSA-N 1 0 399.310 2.937 20 0 GFADRO CN1CC[C@@H](NC(=S)NCC2CC[NH+](C)CC2)[C@@H]1c1ccc(Cl)cc1 ZINC000760500086 655982666 /nfs/dbraw/zinc/98/26/66/655982666.db2.gz QGBGZULXFZFGRG-MSOLQXFVSA-N 1 0 380.989 2.891 20 0 GFADRO O=C(CCCC[NH+]1CCCC1)NC[C@H](CO)Cc1ccccc1Br ZINC000760573976 655985635 /nfs/dbraw/zinc/98/56/35/655985635.db2.gz CZKXSAVYTCRNDQ-MRXNPFEDSA-N 1 0 397.357 2.982 20 0 GFADRO CC(C)S(=O)(=O)CC[NH2+][C@]1(CNC(=O)OC(C)(C)C)CCCC[C@@H]1C ZINC000760858019 655993822 /nfs/dbraw/zinc/99/38/22/655993822.db2.gz VIYXKSTWHNVMJQ-YJBOKZPZSA-N 1 0 376.563 2.873 20 0 GFADRO C[C@@H](CN1C(=O)N[C@H](c2ccc(Br)cc2)C1=O)[NH+]1CCCCC1 ZINC000761116635 655998684 /nfs/dbraw/zinc/99/86/84/655998684.db2.gz BLVCQJIANVSFIX-SWLSCSKDSA-N 1 0 380.286 2.916 20 0 GFADRO CC(=O)c1ccc(Cl)c(S(=O)(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)c1 ZINC000761923739 656024566 /nfs/dbraw/zinc/02/45/66/656024566.db2.gz FNYDVAFBYSCXLO-HNNXBMFYSA-N 1 0 384.929 2.895 20 0 GFADRO COc1cc(/C=C\C(=O)NCC[N@H+]2CC=C(C)CC2)cc(Br)c1O ZINC000762701077 656056420 /nfs/dbraw/zinc/05/64/20/656056420.db2.gz OQWXWMZWQTZBFC-ARJAWSKDSA-N 1 0 395.297 2.945 20 0 GFADRO C[NH+](C)CCOc1cc(CNC(=O)/C=C\c2ccc(Br)o2)ccn1 ZINC000762728118 656057225 /nfs/dbraw/zinc/05/72/25/656057225.db2.gz FEFROIXRVSGQNU-XQRVVYSFSA-N 1 0 394.269 2.707 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)N[C@@H]1CC[C@@H]2SCCS[C@H]12)Cc1ccccc1 ZINC000762988196 656067704 /nfs/dbraw/zinc/06/77/04/656067704.db2.gz MHHBRVBSBPXZNS-XWTMOSNGSA-N 1 0 379.595 2.838 20 0 GFADRO C[NH+](C)CCCOC1CCN(C(=O)N[C@@H]2CC[C@H]3SCCS[C@H]23)CC1 ZINC000763067596 656070692 /nfs/dbraw/zinc/07/06/92/656070692.db2.gz VINPZVBEZCMWGC-BRWVUGGUSA-N 1 0 387.615 2.508 20 0 GFADRO CC(C)(C)OC(=O)N1CCC(CC[NH2+]CCC(C)(C)S(C)(=O)=O)CC1 ZINC000840960732 661220987 /nfs/dbraw/zinc/22/09/87/661220987.db2.gz TWNQERSORKJDQT-UHFFFAOYSA-N 1 0 376.563 2.827 20 0 GFADRO CS(=O)(=O)CC1(C[NH2+]Cc2c(Cl)nc3cc(Cl)ccn32)CCC1 ZINC000840976914 661223790 /nfs/dbraw/zinc/22/37/90/661223790.db2.gz ZCLCOHAMJUOVCN-UHFFFAOYSA-N 1 0 376.309 2.946 20 0 GFADRO C[C@@H]1CCN(C(=O)Nc2cc3c(cc2Br)OCCO3)C[C@@H]1C[NH3+] ZINC000841015969 661228094 /nfs/dbraw/zinc/22/80/94/661228094.db2.gz QBEHTTKXPRTRDJ-MNOVXSKESA-N 1 0 384.274 2.669 20 0 GFADRO C[NH+](C)CCn1cc(NC(=O)N2Cc3ccc(Br)cc3C2)cn1 ZINC000765202769 656136739 /nfs/dbraw/zinc/13/67/39/656136739.db2.gz WUNWOTJSPQGFRB-UHFFFAOYSA-N 1 0 378.274 2.755 20 0 GFADRO Cc1nn(Cc2c(Cl)cccc2Cl)c(Cl)c1CN(CC[NH3+])CCO ZINC000841059534 661229766 /nfs/dbraw/zinc/22/97/66/661229766.db2.gz UGFVQFHSWDXUQK-UHFFFAOYSA-N 1 0 391.730 2.953 20 0 GFADRO O=S1(=O)CCCN1c1cccc(C[NH2+][C@@H]2CC[C@H]3SCCS[C@@H]23)c1 ZINC000765806990 656152702 /nfs/dbraw/zinc/15/27/02/656152702.db2.gz DNPOHZZZHSHRFY-ZACQAIPSSA-N 1 0 384.592 2.696 20 0 GFADRO CCCCn1nc(C)c(CNC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)c1Cl ZINC000841070765 661230812 /nfs/dbraw/zinc/23/08/12/661230812.db2.gz SKALVURCRSCQFW-CQSZACIVSA-N 1 0 381.874 2.571 20 0 GFADRO COCCC[C@@H]([NH2+]C[C@H](O)c1cnn(C)c1)c1ccc(Br)cc1 ZINC000766183884 656164122 /nfs/dbraw/zinc/16/41/22/656164122.db2.gz MCTZAGXPFIZMIT-SJORKVTESA-N 1 0 382.302 2.974 20 0 GFADRO CS[C@@H]1CC[C@@H]([NH2+][C@@H](C)c2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 ZINC000766225133 656165691 /nfs/dbraw/zinc/16/56/91/656165691.db2.gz QUSRNMCAVPGSOP-USXIJHARSA-N 1 0 384.567 2.642 20 0 GFADRO C[C@H]1CCC[N@@H+]1CCNC(=O)C(=O)Nc1cc(Cl)ccc1Br ZINC000766495137 656173196 /nfs/dbraw/zinc/17/31/96/656173196.db2.gz ZCUSNVWBQYDCBK-JTQLQIEISA-N 1 0 388.693 2.642 20 0 GFADRO [NH3+][C@@H]1CCO[C@H](C2CCN(Cc3nc4ccccn4c3Br)CC2)C1 ZINC000841104920 661233724 /nfs/dbraw/zinc/23/37/24/661233724.db2.gz WPQCURFULUJETO-ZBFHGGJFSA-N 1 0 393.329 2.815 20 0 GFADRO C[C@H](CNC(=O)N[C@@H](CO)c1cccc(Br)c1)[NH+]1CCCCC1 ZINC000766881094 656187030 /nfs/dbraw/zinc/18/70/30/656187030.db2.gz YWGDSKOWCIDQAE-CJNGLKHVSA-N 1 0 384.318 2.656 20 0 GFADRO CC(C)[C@H]1CN(C)CCN1C(=O)c1cc(=O)c2cc(Br)ccc2o1 ZINC000841126523 661235364 /nfs/dbraw/zinc/23/53/64/661235364.db2.gz GYFCKPIVXAHKKE-CQSZACIVSA-N 1 0 393.281 2.968 20 0 GFADRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)Nc1cnc(Br)c(Br)c1 ZINC000841140828 661236360 /nfs/dbraw/zinc/23/63/60/661236360.db2.gz DDMAWDVXADPQDN-XVKPBYJWSA-N 1 0 392.095 2.726 20 0 GFADRO C[NH2+]C[C@H]1CCN(C(=O)Nc2cnc(Br)c(Br)c2)C1 ZINC000841143295 661237569 /nfs/dbraw/zinc/23/75/69/661237569.db2.gz XLJFDBOAFYZWAU-MRVPVSSYSA-N 1 0 392.095 2.680 20 0 GFADRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)Nc1cnc(Br)c(Br)c1 ZINC000841143364 661237801 /nfs/dbraw/zinc/23/78/01/661237801.db2.gz YLIXJUVNBSHHJW-RCOVLWMOSA-N 1 0 378.068 2.560 20 0 GFADRO COc1cc(S(=O)(=O)N2CCC[C@H]([NH+]3[C@@H](C)CC[C@@H]3C)C2)cnc1Cl ZINC000767720125 656216620 /nfs/dbraw/zinc/21/66/20/656216620.db2.gz GLWQSFNLBWZXIE-IHRRRGAJSA-N 1 0 387.933 2.770 20 0 GFADRO O=C(NC[C@H]1CCCC[NH2+]1)Nc1cnc(Br)c(Br)c1 ZINC000841143322 661237849 /nfs/dbraw/zinc/23/78/49/661237849.db2.gz YEESGFQROAPMMD-MRVPVSSYSA-N 1 0 392.095 2.870 20 0 GFADRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)Nc1cnc(Br)c(Br)c1 ZINC000841143441 661238226 /nfs/dbraw/zinc/23/82/26/661238226.db2.gz ZFNYYRSKTYYJCC-XCBNKYQSSA-N 1 0 392.095 2.726 20 0 GFADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)Nc1cnc(Cl)c(Br)c1 ZINC000767920231 656227801 /nfs/dbraw/zinc/22/78/01/656227801.db2.gz ZYCWXHUGQGIFEB-NSHDSACASA-N 1 0 391.697 2.730 20 0 GFADRO C[C@@H](CNC(=O)N[C@@H](CO)c1ccc(Br)cc1)[NH+]1CCCCC1 ZINC000768044951 656231173 /nfs/dbraw/zinc/23/11/73/656231173.db2.gz GUCNJPFOHJNMCD-BBRMVZONSA-N 1 0 384.318 2.656 20 0 GFADRO CN(C(=O)C(=O)Nc1ccc(Cl)cc1OC(F)F)C1CCC([NH3+])CC1 ZINC000841188253 661242944 /nfs/dbraw/zinc/24/29/44/661242944.db2.gz HZVYAXBTFHCCMQ-UHFFFAOYSA-N 1 0 375.803 2.608 20 0 GFADRO CN(Cc1cccc(C(N)=O)c1)Cc1cc(Br)c2c(c1)OCCO2 ZINC000768926786 656261019 /nfs/dbraw/zinc/26/10/19/656261019.db2.gz NSNFXUZZYOASAW-UHFFFAOYSA-N 1 0 391.265 2.951 20 0 GFADRO CCCCCSc1nc2ccc(NC(=O)C(=O)N[C@H](C)C[NH3+])cc2s1 ZINC000841213314 661244618 /nfs/dbraw/zinc/24/46/18/661244618.db2.gz NAENYNQDOQBZHQ-LLVKDONJSA-N 1 0 380.539 2.981 20 0 GFADRO C[C@H](c1ccccc1)[NH+]1CCC(NS(=O)(=O)c2cnc(Cl)n2C)CC1 ZINC000769421842 656275667 /nfs/dbraw/zinc/27/56/67/656275667.db2.gz DDHHVFMZVYMYDZ-CYBMUJFWSA-N 1 0 382.917 2.577 20 0 GFADRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)c1nccn2c(Br)cnc12 ZINC000769700904 656286158 /nfs/dbraw/zinc/28/61/58/656286158.db2.gz DZKXLAJADIWXSF-ZDUSSCGKSA-N 1 0 394.317 2.876 20 0 GFADRO C[C@H]1C[C@H](NC(=O)C(=O)Nc2cccc(Cl)c2SC(F)F)CC[NH2+]1 ZINC000841230163 661246250 /nfs/dbraw/zinc/24/62/50/661246250.db2.gz LTOLOTLPXOUVPJ-DTWKUNHWSA-N 1 0 377.844 2.850 20 0 GFADRO CCC[NH+](CCC)CCCNC(=O)c1nccn2c(Br)cnc12 ZINC000769754504 656290147 /nfs/dbraw/zinc/29/01/47/656290147.db2.gz WTCPAYRPJLUQHI-UHFFFAOYSA-N 1 0 382.306 2.734 20 0 GFADRO CN1CC[NH+](CCC(C)(C)NC(=S)NCCSc2ccccc2)CC1 ZINC000769765093 656290697 /nfs/dbraw/zinc/29/06/97/656290697.db2.gz RXZBDQKMRIEIOQ-UHFFFAOYSA-N 1 0 380.627 2.659 20 0 GFADRO CC(C)(CCC[NH3+])NC(=O)C(=O)Nc1cc2ccccc2nc1Br ZINC000841251488 661249280 /nfs/dbraw/zinc/24/92/80/661249280.db2.gz MMIFQKVIMFLNMI-UHFFFAOYSA-N 1 0 393.285 2.570 20 0 GFADRO CC(C)C[NH+]1CCC(NC(=O)c2cccnc2I)CC1 ZINC000770484120 656320570 /nfs/dbraw/zinc/32/05/70/656320570.db2.gz WCXRHUFNIIFLCV-UHFFFAOYSA-N 1 0 387.265 2.536 20 0 GFADRO CC[C@H]([NH3+])CNC(=O)C(=O)Nc1ccccc1SC[C@H]1CC1(Cl)Cl ZINC000841256563 661249779 /nfs/dbraw/zinc/24/97/79/661249779.db2.gz KCVPJEGBULPNDX-MNOVXSKESA-N 1 0 390.336 2.765 20 0 GFADRO COC(=O)C[C@@]1([NH2+]CC2=Cc3cc(Br)ccc3OC2)CCCOC1 ZINC000770673825 656326395 /nfs/dbraw/zinc/32/63/95/656326395.db2.gz JDRAWXLFVIOCES-SFHVURJKSA-N 1 0 396.281 2.927 20 0 GFADRO O=C(C[NH2+][C@H](CO)C1CC1)Nc1ccc(Br)c(C(F)(F)F)c1 ZINC000771805043 656362831 /nfs/dbraw/zinc/36/28/31/656362831.db2.gz FAIUINGJWJXSSN-GFCCVEGCSA-N 1 0 381.192 2.767 20 0 GFADRO COc1cccc2cc(C[NH2+]CCNS(=O)(=O)c3ccc(C)s3)oc21 ZINC000771989915 656369414 /nfs/dbraw/zinc/36/94/14/656369414.db2.gz BQJNUCYSOMKGFV-UHFFFAOYSA-N 1 0 380.491 2.879 20 0 GFADRO C[NH+](C)CC(C)(C)CNC(=O)c1cc(=O)c2cc(Br)ccc2o1 ZINC000841377923 661255864 /nfs/dbraw/zinc/25/58/64/661255864.db2.gz UXNOBENAZHZYGN-UHFFFAOYSA-N 1 0 381.270 2.873 20 0 GFADRO COc1cc([C@H](C)[NH2+]CC2(CCO)CCC2)ccc1S(=O)(=O)C(F)F ZINC000773069138 656398369 /nfs/dbraw/zinc/39/83/69/656398369.db2.gz MZNAWIHKALINDG-LBPRGKRZSA-N 1 0 377.453 2.895 20 0 GFADRO C[C@H]([NH2+][C@H]1CCO[C@@]2(CCOC2)C1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000773151003 656401555 /nfs/dbraw/zinc/40/15/55/656401555.db2.gz PFIKMOZWCBQFCG-JDFRZJQESA-N 1 0 375.437 2.672 20 0 GFADRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2cc(=O)c3cc(Br)ccc3o2)C1 ZINC000841400955 661260678 /nfs/dbraw/zinc/26/06/78/661260678.db2.gz RRTHVRQUCYZOPB-GFCCVEGCSA-N 1 0 393.281 2.969 20 0 GFADRO O=c1oc2cc(Br)c(F)cc2n1CN1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000773320071 656411666 /nfs/dbraw/zinc/41/16/66/656411666.db2.gz CQTFGGPIGXZWLI-GHMZBOCLSA-N 1 0 385.233 2.812 20 0 GFADRO C[C@H]1C[C@@H](NC(=O)c2cc(=O)c3cc(Br)ccc3o2)C[N@@H+]1C1CC1 ZINC000841406878 661261416 /nfs/dbraw/zinc/26/14/16/661261416.db2.gz NZZFVFIOEHEEHO-CMPLNLGQSA-N 1 0 391.265 2.911 20 0 GFADRO C[NH+]1CCC(N(C[C@@H](O)CC(C)(C)C)C(=O)C[C@H]2CSCCS2)CC1 ZINC000773449968 656448793 /nfs/dbraw/zinc/44/87/93/656448793.db2.gz QXXDXZQXKWDCIU-IRXDYDNUSA-N 1 0 388.643 2.945 20 0 GFADRO Cc1c(C(=O)NOC2CC[NH+](C)CC2)cnn1-c1ccc(Br)cc1 ZINC000773539934 656458626 /nfs/dbraw/zinc/45/86/26/656458626.db2.gz BFFYATICCJJMPC-UHFFFAOYSA-N 1 0 393.285 2.699 20 0 GFADRO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)Cc1ccc(Cl)cc1Br ZINC000841455824 661267143 /nfs/dbraw/zinc/26/71/43/661267143.db2.gz WNYXHFGTHVWPLR-RYUDHWBXSA-N 1 0 389.721 2.559 20 0 GFADRO CN(C(=O)c1c(Br)nc2n1CCCC2)C(C)(C)C[NH+]1CCCC1 ZINC000841466654 661268160 /nfs/dbraw/zinc/26/81/60/661268160.db2.gz FBDFQEKBULDEDI-UHFFFAOYSA-N 1 0 383.334 2.928 20 0 GFADRO C[C@@H]([NH2+][C@@H]1CCN(CCN2CCOCC2)C1)c1cc(Cl)c(N)c(Cl)c1 ZINC000774410639 656527140 /nfs/dbraw/zinc/52/71/40/656527140.db2.gz BZDCEASFZWVUKL-UKRRQHHQSA-N 1 0 387.355 2.633 20 0 GFADRO CCOCCOC[C@@H](O)C[NH2+]Cc1nc2ccc(Br)cc2s1 ZINC000775013242 656586664 /nfs/dbraw/zinc/58/66/64/656586664.db2.gz SQJVHMQVGSCDDX-LBPRGKRZSA-N 1 0 389.315 2.562 20 0 GFADRO O=S1(=O)CC[C@@H]([NH2+]C[C@H](O)c2ccccc2)c2cc(Br)ccc21 ZINC000775483195 656642314 /nfs/dbraw/zinc/64/23/14/656642314.db2.gz OUHPZDRPCQWOET-CVEARBPZSA-N 1 0 396.306 2.991 20 0 GFADRO C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)C[C@@H](O)c1ccc(F)cc1Cl ZINC000775566169 656649851 /nfs/dbraw/zinc/64/98/51/656649851.db2.gz UFSBBNBQDQLDNR-PIGZYNQJSA-N 1 0 386.876 2.853 20 0 GFADRO O=C([C@H]1CCC[N@@H+](C[C@H](O)c2ccc(F)c(Br)c2)C1)N1CCCC1 ZINC000775602077 656654459 /nfs/dbraw/zinc/65/44/59/656654459.db2.gz LQCMKZXZDISRAT-YOEHRIQHSA-N 1 0 399.304 2.956 20 0 GFADRO C[N@H+](CCCCNS(=O)(=O)c1cnc(Cl)c(Br)c1)C1CC1 ZINC000841527217 661290667 /nfs/dbraw/zinc/29/06/67/661290667.db2.gz KCTSGEWTLJBDNB-UHFFFAOYSA-N 1 0 396.738 2.650 20 0 GFADRO CC(C)[C@H](C(=O)Nc1cn2cc(Br)ncc2n1)[NH+]1CCCCC1 ZINC000776531980 656752273 /nfs/dbraw/zinc/75/22/73/656752273.db2.gz WCLHSMMCJXRFGI-OAHLLOKOSA-N 1 0 380.290 2.941 20 0 GFADRO CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+]C[C@@H](OC)C(F)(F)F)cc1 ZINC000777006893 656803495 /nfs/dbraw/zinc/80/34/95/656803495.db2.gz KBNHDGAPURYSPI-IUODEOHRSA-N 1 0 382.448 2.945 20 0 GFADRO NC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(N[C@@H]2CC[C@@H]3SCCS[C@H]23)c1 ZINC000777239339 656815443 /nfs/dbraw/zinc/81/54/43/656815443.db2.gz STTHMFZDPHTVLI-VSZNYVQBSA-N 1 0 377.579 2.928 20 0 GFADRO Cc1cc(Br)ccc1CC(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000778751653 656889772 /nfs/dbraw/zinc/88/97/72/656889772.db2.gz FJJHMASNEPHEIU-SFHVURJKSA-N 1 0 394.357 2.538 20 0 GFADRO CC[S@](=O)CC[NH2+][C@@H](c1ccc(C)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000779061389 656898347 /nfs/dbraw/zinc/89/83/47/656898347.db2.gz OBOATRGUNHWRSU-CYFREDJKSA-N 1 0 379.547 2.846 20 0 GFADRO C[C@@H](CNS(=O)(=O)c1cc(F)ccc1Br)[NH+]1CCCCC1 ZINC000780715652 657025268 /nfs/dbraw/zinc/02/52/68/657025268.db2.gz MBVTYVRMEWIKMB-NSHDSACASA-N 1 0 379.295 2.741 20 0 GFADRO O=C(c1ccc(Br)nc1)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000780773881 657028208 /nfs/dbraw/zinc/02/82/08/657028208.db2.gz GBAUQTZMYZZBMP-UHFFFAOYSA-N 1 0 396.329 2.809 20 0 GFADRO Cc1c(S(=O)(=O)NCC[N@H+]2CCC[C@H]2C)cnn1-c1ccc(Cl)cc1 ZINC000780865602 657033892 /nfs/dbraw/zinc/03/38/92/657033892.db2.gz GQVNBHVZXLYEBL-CYBMUJFWSA-N 1 0 382.917 2.597 20 0 GFADRO COCC[N@@H+]1CCC[C@H]1CNC(=S)Nc1cccc(OC(F)(F)F)c1 ZINC000783734773 657255871 /nfs/dbraw/zinc/25/58/71/657255871.db2.gz QPZKTUKJNHPGPL-ZDUSSCGKSA-N 1 0 377.432 2.982 20 0 GFADRO C[NH+](C)CCNC(=S)NC1CCN(Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000783752552 657258875 /nfs/dbraw/zinc/25/88/75/657258875.db2.gz XYSHDQHVJSQMRL-UHFFFAOYSA-N 1 0 389.396 2.984 20 0 GFADRO COc1cc(Br)ccc1CCCNC(=S)NCCC[NH+](C)C ZINC000783771932 657260240 /nfs/dbraw/zinc/26/02/40/657260240.db2.gz XRMSHYJNOAAEIC-UHFFFAOYSA-N 1 0 388.375 2.806 20 0 GFADRO C[C@@H]1CCC[N@@H+]1CCNC(=O)[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000783922155 657274297 /nfs/dbraw/zinc/27/42/97/657274297.db2.gz VZSJGEYMXHBWQB-OCCSQVGLSA-N 1 0 384.307 2.947 20 0 GFADRO COCCS(=O)(=O)CCC[N@@H+]1CC[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000784482304 657313060 /nfs/dbraw/zinc/31/30/60/657313060.db2.gz HDWHOVKOCBKCBB-HNNXBMFYSA-N 1 0 379.444 2.946 20 0 GFADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1S(=O)(=O)/C=C\c1ccc(Cl)cc1 ZINC000785315119 657354767 /nfs/dbraw/zinc/35/47/67/657354767.db2.gz RWHUFCJTJCMURH-ODDCISTRSA-N 1 0 384.929 2.826 20 0 GFADRO Cc1nc(CN2CCC(C[NH2+]Cc3cc(Br)nn3C)CC2)oc1C ZINC000785471440 657366542 /nfs/dbraw/zinc/36/65/42/657366542.db2.gz WBHAWOOCDDHYQT-UHFFFAOYSA-N 1 0 396.333 2.789 20 0 GFADRO CCOC(=O)[C@](C)(C[NH2+]Cc1cc(Br)nn1C)c1ccccc1 ZINC000787286861 657539263 /nfs/dbraw/zinc/53/92/63/657539263.db2.gz OOOSYHVBQZRXLJ-QGZVFWFLSA-N 1 0 380.286 2.793 20 0 GFADRO CC(C)[NH+]1CCN(CCCOC(=O)COc2ccc(Br)cc2)CC1 ZINC000787570890 657571406 /nfs/dbraw/zinc/57/14/06/657571406.db2.gz HTNQCWYNRUQTBD-UHFFFAOYSA-N 1 0 399.329 2.787 20 0 GFADRO CC(C)C[C@H](CNC(=O)OC(C)(C)C)[NH2+][C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000788594538 657749142 /nfs/dbraw/zinc/74/91/42/657749142.db2.gz VZBNKCHKQLEODZ-OAGGEKHMSA-N 1 0 376.563 2.871 20 0 GFADRO C[C@@H]1OC(=O)N[C@@H]1C(=O)N(CCC[NH+](C)C)Cc1ccc(Cl)c(Cl)c1 ZINC000788650842 657762090 /nfs/dbraw/zinc/76/20/90/657762090.db2.gz PUCCZAQTKYXWIU-NHYWBVRUSA-N 1 0 388.295 2.771 20 0 GFADRO COc1cc(S(=O)(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)cnc1Cl ZINC000788882782 657792246 /nfs/dbraw/zinc/79/22/46/657792246.db2.gz VISUOQNVQIRLOD-AWEZNQCLSA-N 1 0 375.922 2.532 20 0 GFADRO Cn1cnc(S(=O)(=O)N[C@@H](C[NH+]2CCCCC2)c2ccccc2)c1Cl ZINC000788915561 657796887 /nfs/dbraw/zinc/79/68/87/657796887.db2.gz GNMVWCPERVIOJZ-HNNXBMFYSA-N 1 0 382.917 2.579 20 0 GFADRO NC(=O)C1=NO[C@@H](C[NH2+]Cc2ccc(-c3ccc(Br)cc3)s2)C1 ZINC000789560121 657864916 /nfs/dbraw/zinc/86/49/16/657864916.db2.gz GHHQCGVAAWWERC-GFCCVEGCSA-N 1 0 394.294 2.897 20 0 GFADRO CC(C)(C)[C@H](O)C[C@@H](CO)[NH2+]Cc1ccccc1I ZINC000790618899 658003067 /nfs/dbraw/zinc/00/30/67/658003067.db2.gz JWTHVWAZWJUKTQ-GXTWGEPZSA-N 1 0 377.266 2.539 20 0 GFADRO COCCC[NH+]1CCC(NC(=O)N2CC[C@@]3(C)[C@@H](C2)C3(Cl)Cl)CC1 ZINC000790730609 658016435 /nfs/dbraw/zinc/01/64/35/658016435.db2.gz ANXVNUMBTBKAMA-ZBFHGGJFSA-N 1 0 378.344 2.713 20 0 GFADRO Cc1cc(F)c(Br)cc1S(=O)(=O)NCC[N@H+]1CCC[C@H]1C ZINC000790876551 658039275 /nfs/dbraw/zinc/03/92/75/658039275.db2.gz MXGIUYRQHJGCGV-LLVKDONJSA-N 1 0 379.295 2.659 20 0 GFADRO Nc1nc(N2CCC[C@@H](OC(=O)c3ccc(Br)s3)C2)cc[nH+]1 ZINC000791108921 658060031 /nfs/dbraw/zinc/06/00/31/658060031.db2.gz QELLZMJGLUUYAU-SECBINFHSA-N 1 0 383.271 2.709 20 0 GFADRO COc1cccc(CN(CC[NH+](C)C)C(=O)c2[nH]nc(C)c2Br)c1 ZINC000791340361 658083488 /nfs/dbraw/zinc/08/34/88/658083488.db2.gz OSCWDWQURGZVQL-UHFFFAOYSA-N 1 0 395.301 2.693 20 0 GFADRO C[C@@H](NC(=O)Cc1cccnc1Br)C1([NH+]2CCOCC2)CCCC1 ZINC000791374934 658088408 /nfs/dbraw/zinc/08/84/08/658088408.db2.gz VWPZYGYAOIROOI-CQSZACIVSA-N 1 0 396.329 2.536 20 0 GFADRO O=C(Nc1cnn(-c2cc[nH+]cc2)c1)[C@@H]1Cc2cc(Br)ccc2O1 ZINC000791560938 658128700 /nfs/dbraw/zinc/12/87/00/658128700.db2.gz KFURLNGEHFHLLX-INIZCTEOSA-N 1 0 385.221 2.972 20 0 GFADRO C[NH+](C)CCCOC(=O)[C@@H](c1ccc(Cl)cc1Cl)N1CCOCC1 ZINC000791969995 658212727 /nfs/dbraw/zinc/21/27/27/658212727.db2.gz HDRKJTUPTHSZJE-MRXNPFEDSA-N 1 0 375.296 2.862 20 0 GFADRO C[C@@H](CNC(=O)NCCCCn1cc(Br)cn1)[NH+]1CCCCC1 ZINC000792045350 658225767 /nfs/dbraw/zinc/22/57/67/658225767.db2.gz SDXGLCGFMGZSCA-AWEZNQCLSA-N 1 0 386.338 2.599 20 0 GFADRO C[NH+]1CCN(c2ccc(Br)cc2NC(=O)c2csc(=O)[nH]2)CC1 ZINC000792095634 658232168 /nfs/dbraw/zinc/23/21/68/658232168.db2.gz BTMNQBURKRAUCD-UHFFFAOYSA-N 1 0 397.298 2.615 20 0 GFADRO CS[C@@H]1CN(C(=O)c2nc(Br)ccc2F)C[C@H]1[NH+]1CCCC1 ZINC000792318286 658268350 /nfs/dbraw/zinc/26/83/50/658268350.db2.gz LVAGPBASDQYXRS-VXGBXAGGSA-N 1 0 388.306 2.635 20 0 GFADRO COc1ccc(Cl)cc1NC(=S)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000792680671 658309316 /nfs/dbraw/zinc/30/93/16/658309316.db2.gz JBRYLLMLKVRVHG-HNNXBMFYSA-N 1 0 382.961 2.757 20 0 GFADRO COCC[C@@H]([NH2+]CC(=O)N1CCO[C@@H](C)C1)c1ccc(Cl)c(Cl)c1 ZINC000792929709 658331013 /nfs/dbraw/zinc/33/10/13/658331013.db2.gz XUTOPCSDRCWZGX-BLLLJJGKSA-N 1 0 375.296 2.908 20 0 GFADRO Cc1cc([C@H](C)[NH2+]CCCNC(=O)c2cccc(Br)c2)n(C)n1 ZINC000793529853 658402794 /nfs/dbraw/zinc/40/27/94/658402794.db2.gz XTZXINZQMGLPMH-ZDUSSCGKSA-N 1 0 379.302 2.962 20 0 GFADRO O=C(NCCO)C1CC[NH+](Cc2cnc(-c3ccc(Cl)cc3)s2)CC1 ZINC000793583563 658409369 /nfs/dbraw/zinc/40/93/69/658409369.db2.gz FYQNXFZBDOFNBH-UHFFFAOYSA-N 1 0 379.913 2.784 20 0 GFADRO Cc1nn(C)c(C[NH2+][C@@H](C)CCNC(=O)OC(C)(C)C)c1Br ZINC000793596435 658413583 /nfs/dbraw/zinc/41/35/83/658413583.db2.gz YPTWJGOZURCUMM-JTQLQIEISA-N 1 0 375.311 2.884 20 0 GFADRO C[C@@H](CNC(=O)C(=O)N(C)Cc1cc(Cl)cc(Cl)c1)[NH+]1CCCCC1 ZINC000793698313 658427749 /nfs/dbraw/zinc/42/77/49/658427749.db2.gz JKICBOCINXHNDK-ZDUSSCGKSA-N 1 0 386.323 2.942 20 0 GFADRO C[C@H](O)C[N@@H+]1CCN(C(=O)Cc2ccc(Cl)cc2Br)[C@H](C)C1 ZINC000793874488 658452345 /nfs/dbraw/zinc/45/23/45/658452345.db2.gz LVWYODNEJPNIER-NEPJUHHUSA-N 1 0 389.721 2.559 20 0 GFADRO C[C@H]([NH2+]C[C@H](O)CCNC(=O)OC(C)(C)C)c1ccc(Br)cn1 ZINC000794530382 658557213 /nfs/dbraw/zinc/55/72/13/658557213.db2.gz JMYKAXZEXWZHJK-WCQYABFASA-N 1 0 388.306 2.770 20 0 GFADRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2Cn2c(=O)oc3cccc(Br)c32)C1 ZINC000794634319 658586230 /nfs/dbraw/zinc/58/62/30/658586230.db2.gz PGTBWORVYZYSRJ-JSGCOSHPSA-N 1 0 380.286 2.731 20 0 GFADRO NC(=O)[C@H]([NH2+][C@H]1CCc2ccccc2OC1)c1cccc(Br)c1 ZINC000794826241 658618438 /nfs/dbraw/zinc/61/84/38/658618438.db2.gz BIKROGQFKZFMFB-DOTOQJQBSA-N 1 0 375.266 2.959 20 0 GFADRO COc1ccc(S(=O)(=O)NC[C@H](C)[NH+]2CCCCC2)c(Br)c1 ZINC000795077682 658664027 /nfs/dbraw/zinc/66/40/27/658664027.db2.gz CNIAUNSKAYFEFZ-LBPRGKRZSA-N 1 0 391.331 2.610 20 0 GFADRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1CN1C(=O)c2ccc(Br)cc2C1=O ZINC000795704066 658842990 /nfs/dbraw/zinc/84/29/90/658842990.db2.gz GTZLCZCUZSWMFA-JSGCOSHPSA-N 1 0 392.297 2.561 20 0 GFADRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1CN1Cc2cccc(Br)c2C1=O ZINC000795709573 658843564 /nfs/dbraw/zinc/84/35/64/658843564.db2.gz YQYQKJLYUICXKH-ZFWWWQNUSA-N 1 0 378.314 2.921 20 0 GFADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1cc(F)c(Br)c(Cl)c1 ZINC000795851741 658859585 /nfs/dbraw/zinc/85/95/85/658859585.db2.gz VCILTRJEMIORKC-WDEREUQCSA-N 1 0 391.668 2.835 20 0 GFADRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F ZINC000796110754 658892779 /nfs/dbraw/zinc/89/27/79/658892779.db2.gz BPRKVFHWMYIOOB-BDAKNGLRSA-N 1 0 384.370 2.629 20 0 GFADRO CCCCn1nc(C)c(C[NH2+]C[C@@H]2CCCC[C@H]2NS(C)(=O)=O)c1Cl ZINC000796485304 658919536 /nfs/dbraw/zinc/91/95/36/658919536.db2.gz WVTPJAKDGGTTNT-GOEBONIOSA-N 1 0 390.981 2.843 20 0 GFADRO Cc1cc(Br)cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3CC(=O)N(C)C)c1 ZINC000796497481 658920127 /nfs/dbraw/zinc/92/01/27/658920127.db2.gz LDFFURRYRWWGEB-AYHJJNSGSA-N 1 0 394.357 2.931 20 0 GFADRO COC(=O)N1CCC(C[NH2+]Cc2ccc(OC)c(O)c2Br)CC1 ZINC000796507843 658920603 /nfs/dbraw/zinc/92/06/03/658920603.db2.gz YZXQVGAUFIWBNU-UHFFFAOYSA-N 1 0 387.274 2.731 20 0 GFADRO COc1c[nH+]ccc1N1CCN(C[C@@H](O)c2cccc(Br)c2)CC1 ZINC000796575435 658923812 /nfs/dbraw/zinc/92/38/12/658923812.db2.gz MZZCPVGRTDKMCM-QGZVFWFLSA-N 1 0 392.297 2.708 20 0 GFADRO CC(C)([NH2+]C[C@H](O)COc1ccc(Cl)cc1Cl)C(=O)N1CCCC1 ZINC000796580061 658924659 /nfs/dbraw/zinc/92/46/59/658924659.db2.gz NKFCDNHRKXHSCX-ZDUSSCGKSA-N 1 0 375.296 2.724 20 0 GFADRO CNC(=O)C[C@@H]([NH2+]C[C@@H](O)c1ccc(Br)cc1)c1ccccc1 ZINC000796615126 658927876 /nfs/dbraw/zinc/92/78/76/658927876.db2.gz YXZUISIOARPQPT-IAGOWNOFSA-N 1 0 377.282 2.950 20 0 GFADRO C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1[NH2+]CCn1cc(Br)cn1 ZINC000797101857 658979576 /nfs/dbraw/zinc/97/95/76/658979576.db2.gz WLHIQEIBFKODJN-JSGCOSHPSA-N 1 0 387.322 2.881 20 0 GFADRO C[NH+](C)CC(C)(C)CN(C(=O)C1=COCCO1)c1ccc(Br)cn1 ZINC000798240030 659088205 /nfs/dbraw/zinc/08/82/05/659088205.db2.gz ALTJASWWBWTNEN-UHFFFAOYSA-N 1 0 398.301 2.653 20 0 GFADRO CON(C)C(=O)CC[N@@H+]1CCC[C@@H]1c1ccc(I)cc1 ZINC000799125178 659166621 /nfs/dbraw/zinc/16/66/21/659166621.db2.gz IDNACRMYNDNAMK-CQSZACIVSA-N 1 0 388.249 2.838 20 0 GFADRO C[NH+]1CCC(NC(=S)N[C@H]2COc3cc(F)c(Br)cc32)CC1 ZINC000799910341 659242312 /nfs/dbraw/zinc/24/23/12/659242312.db2.gz WRAGDASWCIGTMK-ZDUSSCGKSA-N 1 0 388.306 2.580 20 0 GFADRO C[NH+]1CCC(NC(=S)N[C@@H]2COc3cc(F)c(Br)cc32)CC1 ZINC000799910340 659242425 /nfs/dbraw/zinc/24/24/25/659242425.db2.gz WRAGDASWCIGTMK-CYBMUJFWSA-N 1 0 388.306 2.580 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)NC[C@H](O)c2cccc(Br)c2)C1 ZINC000799959598 659250432 /nfs/dbraw/zinc/25/04/32/659250432.db2.gz IBNSRIUJGONZIZ-OAGGEKHMSA-N 1 0 384.318 2.655 20 0 GFADRO O=C(CCNC(=O)Nc1ccc(Br)cc1)OCCC[NH+]1CCCC1 ZINC000800139931 659276060 /nfs/dbraw/zinc/27/60/60/659276060.db2.gz APVCVQOPPSJGCC-UHFFFAOYSA-N 1 0 398.301 2.990 20 0 GFADRO Cc1nn(C)c(C[NH2+]CCCNC(=O)/C=C/c2ccccc2)c1Br ZINC000800311582 659300135 /nfs/dbraw/zinc/30/01/35/659300135.db2.gz KMELBOICZBDWJJ-MDZDMXLPSA-N 1 0 391.313 2.800 20 0 GFADRO CC(=O)NCC[N@H+](CCC1OCCCO1)Cc1ccc(Br)s1 ZINC000800499615 659312807 /nfs/dbraw/zinc/31/28/07/659312807.db2.gz KRJPTHJYMOPMST-UHFFFAOYSA-N 1 0 391.331 2.602 20 0 GFADRO O=C(COc1ccccc1)N1CC[C@H]([NH2+][C@@H]2CC[C@H]3SCCS[C@@H]23)C1 ZINC000800994415 659362635 /nfs/dbraw/zinc/36/26/35/659362635.db2.gz VDPLGBWUGKRTOE-WFEDQXDTSA-N 1 0 378.563 2.636 20 0 GFADRO C[C@H](CNC(=O)NC[C@@H](O)c1cccc(Br)c1)C[NH+]1CCCCC1 ZINC000801754847 659423344 /nfs/dbraw/zinc/42/33/44/659423344.db2.gz LBTCDIMOUOQPHX-RHSMWYFYSA-N 1 0 398.345 2.904 20 0 GFADRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)NC[C@@H](O)c1cccc(Br)c1 ZINC000801754405 659423758 /nfs/dbraw/zinc/42/37/58/659423758.db2.gz FZDOTDSOSBWQBB-JJRVBVJISA-N 1 0 398.345 2.902 20 0 GFADRO COc1ccc([C@@H](C[NH+](C)C)NC(=O)Cc2cccnc2Br)cc1 ZINC000803807759 659606211 /nfs/dbraw/zinc/60/62/11/659606211.db2.gz PGSCZNDAHVGJOQ-MRXNPFEDSA-N 1 0 392.297 2.814 20 0 GFADRO COc1ccc([C@H](C[NH+](C)C)NC(=O)c2ccnc(Br)c2)cc1 ZINC000803806793 659606522 /nfs/dbraw/zinc/60/65/22/659606522.db2.gz ABBBHZUORCKJDL-HNNXBMFYSA-N 1 0 378.270 2.885 20 0 GFADRO O=C([C@H]1CC1(Cl)Cl)N1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000804446596 659647987 /nfs/dbraw/zinc/64/79/87/659647987.db2.gz LGPPEYVOIUVCEK-DLBZAZTESA-N 1 0 382.335 2.599 20 0 GFADRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(S(=O)(=O)c2cnc(Cl)c(F)c2)C1 ZINC000804963037 659704065 /nfs/dbraw/zinc/70/40/65/659704065.db2.gz ODXBAAUNDVIVCN-FRRDWIJNSA-N 1 0 375.897 2.900 20 0 GFADRO C[NH+]1CCN(c2ccccc2NC(=O)NCC(F)(F)Br)CC1 ZINC000806169767 659826866 /nfs/dbraw/zinc/82/68/66/659826866.db2.gz KPXPPZOCRANDDD-UHFFFAOYSA-N 1 0 377.233 2.548 20 0 GFADRO C[C@H]1CCC[N@@H+]1CCNC(=O)C(=O)Nc1cc(Cl)ccc1C(F)(F)F ZINC000806919451 659844410 /nfs/dbraw/zinc/84/44/10/659844410.db2.gz QODJOCZCFGFTLX-JTQLQIEISA-N 1 0 377.794 2.898 20 0 GFADRO C[C@]12CCN(C(=O)NC3CC[NH+]([C@@H]4CCC[C@H]4O)CC3)C[C@H]1C2(Cl)Cl ZINC000806992633 659845753 /nfs/dbraw/zinc/84/57/53/659845753.db2.gz WVOLTXYKYWNIDM-ANQUJSFKSA-N 1 0 390.355 2.590 20 0 GFADRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1CN1Cc2c(cccc2Br)C1=O ZINC000808190631 659880829 /nfs/dbraw/zinc/88/08/29/659880829.db2.gz IKTIPRHYVLXFOF-CXAGYDPISA-N 1 0 378.314 2.921 20 0 GFADRO C[C@H](Cc1ccc(F)cc1Br)[NH2+]CCS(=O)(=O)CC1CC1 ZINC000808395569 659893234 /nfs/dbraw/zinc/89/32/34/659893234.db2.gz AVXPJMPLYOOVJK-LLVKDONJSA-N 1 0 378.307 2.934 20 0 GFADRO COCC(C)(C)CCC[NH2+]Cc1c(C)nn([C@@H]2CCS(=O)(=O)C2)c1Cl ZINC000808428887 659893798 /nfs/dbraw/zinc/89/37/98/659893798.db2.gz UAZWTUKIWCYCBQ-CQSZACIVSA-N 1 0 391.965 2.747 20 0 GFADRO C[C@H](C(=O)NC1CC1)[N@@H+]1CCC[C@H]([C@@H](O)c2ccc(Br)cc2)C1 ZINC000810047984 659957856 /nfs/dbraw/zinc/95/78/56/659957856.db2.gz RHZRCLNXIRNZQQ-IFIJOSMWSA-N 1 0 381.314 2.862 20 0 GFADRO C[C@@H](CCCNC(=O)OC(C)(C)C)[NH2+]Cc1ccc(S(C)(=O)=O)s1 ZINC000810238203 659967522 /nfs/dbraw/zinc/96/75/22/659967522.db2.gz HPXCGCBOYCSIHS-LBPRGKRZSA-N 1 0 376.544 2.935 20 0 GFADRO Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)OC[C@@H]1C[N@H+](C(C)C)CCO1 ZINC000810670738 659982201 /nfs/dbraw/zinc/98/22/01/659982201.db2.gz KZNWRXSFKUHGRH-NSHDSACASA-N 1 0 383.798 2.516 20 0 GFADRO Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)OC[C@H]1C[N@H+](C(C)C)CCO1 ZINC000810670737 659982323 /nfs/dbraw/zinc/98/23/23/659982323.db2.gz KZNWRXSFKUHGRH-LLVKDONJSA-N 1 0 383.798 2.516 20 0 GFADRO CCc1c(Cl)nc(CS(C)(=O)=O)nc1NCC[N@H+](C)C1CCCCC1 ZINC000811767092 660015035 /nfs/dbraw/zinc/01/50/35/660015035.db2.gz WETPYLKBQADNGK-UHFFFAOYSA-N 1 0 388.965 2.913 20 0 GFADRO CC(C)[N@@H+](C)C[C@H](C)NC(=O)/C=C\c1ccc(I)o1 ZINC000811929064 660017772 /nfs/dbraw/zinc/01/77/72/660017772.db2.gz APTALTWUCOZPLN-JYKYSHPRSA-N 1 0 376.238 2.742 20 0 GFADRO CCC[N@H+](CC)C[C@H](C)NC(=O)NC[C@@H](O)c1cccc(Br)c1 ZINC000811979546 660018554 /nfs/dbraw/zinc/01/85/54/660018554.db2.gz SKNMQNQGXXYUPD-XJKSGUPXSA-N 1 0 386.334 2.902 20 0 GFADRO C[N@@H+]1CC[C@]2(CCN(S(=O)(=O)/C=C\c3ccccc3Br)C2)C1 ZINC000813760053 660063377 /nfs/dbraw/zinc/06/33/77/660063377.db2.gz MDMUNRFDSOQCLI-BCTQVIJGSA-N 1 0 385.327 2.777 20 0 GFADRO O=C(c1nc(C2CC2)ncc1Br)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000813814231 660065341 /nfs/dbraw/zinc/06/53/41/660065341.db2.gz KVXNWLOVWSTJNF-LBPRGKRZSA-N 1 0 379.302 2.674 20 0 GFADRO CN(C)CC[N@H+](C)CCCN(C)C(=O)C[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000813854478 660066152 /nfs/dbraw/zinc/06/61/52/660066152.db2.gz CYXUFTCCNRZTQK-KRWDZBQOSA-N 1 0 390.355 2.759 20 0 GFADRO O=S(=O)(c1ccc(Cl)c2nonc21)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000814382409 660078497 /nfs/dbraw/zinc/07/84/97/660078497.db2.gz MQJKJZUMUTWJOG-LBPRGKRZSA-N 1 0 384.889 2.515 20 0 GFADRO O=S(=O)(NC1CC[NH+](C2CCCC2)CC1)c1ccc(Cl)c2nonc21 ZINC000814386800 660079215 /nfs/dbraw/zinc/07/92/15/660079215.db2.gz PTNVPKJHDNFTAX-UHFFFAOYSA-N 1 0 384.889 2.562 20 0 GFADRO Cn1cc(CC(=O)Nc2cc(Cl)ccc2N2CC[NH+](C)CC2)c(Cl)n1 ZINC000814425477 660081409 /nfs/dbraw/zinc/08/14/09/660081409.db2.gz KFPPGBOPJBAAJC-UHFFFAOYSA-N 1 0 382.295 2.660 20 0 GFADRO CO[C@@H]1C[N@H+](C[C@](C)(O)c2ccc(Br)cc2Cl)C[C@@H]1OC ZINC000815102785 660112365 /nfs/dbraw/zinc/11/23/65/660112365.db2.gz REZFKTMHHLWFSN-ZNMIVQPWSA-N 1 0 378.694 2.656 20 0 GFADRO CS(=O)(=O)CC1CCC([NH2+]C[C@@H](O)c2ccccc2C(F)(F)F)CC1 ZINC000815567174 660125824 /nfs/dbraw/zinc/12/58/24/660125824.db2.gz QNJLWWBBASPYNS-SEEARECTSA-N 1 0 379.444 2.932 20 0 GFADRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3cn4c(Br)cnc4s3)CC[C@@H]21 ZINC000815824917 660132248 /nfs/dbraw/zinc/13/22/48/660132248.db2.gz YLELUFSEKAIAKY-QWRGUYRKSA-N 1 0 383.315 2.715 20 0 GFADRO Cc1nc(Br)sc1C(=O)NC1CC[NH+](CCOC(C)C)CC1 ZINC000816942921 660173825 /nfs/dbraw/zinc/17/38/25/660173825.db2.gz FVNKZUFYWMWGAQ-UHFFFAOYSA-N 1 0 390.347 2.833 20 0 GFADRO O=C(CCCC[NH+]1CCCC1)N[C@@H]1CN(c2ccc(Br)cc2)C1=O ZINC000817029205 660176899 /nfs/dbraw/zinc/17/68/99/660176899.db2.gz YOHNAVJJBXSFSW-MRXNPFEDSA-N 1 0 394.313 2.547 20 0 GFADRO Cc1cc(NC(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)cc(F)c1Br ZINC000841790288 661313438 /nfs/dbraw/zinc/31/34/38/661313438.db2.gz BQDZXPXNYWRMRJ-QWHCGFSZSA-N 1 0 386.265 2.881 20 0 GFADRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)NCCc3ccc(Br)cc3F)C[C@@H]21 ZINC000841794856 661313770 /nfs/dbraw/zinc/31/37/70/661313770.db2.gz LJMNFPOQAHVRHB-DUVNUKRYSA-N 1 0 384.293 2.900 20 0 GFADRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)N2CCO[C@@H](c3ccccc3Br)C2)C1 ZINC000842010543 661319637 /nfs/dbraw/zinc/31/96/37/661319637.db2.gz MIGBTTNCNWKPNV-XJKCOSOUSA-N 1 0 382.302 2.659 20 0 GFADRO CC[N@H+](CCN1C(=O)[C@H]2Cc3c(Br)cccc3CN2C1=O)C1CC1 ZINC000842239959 661329445 /nfs/dbraw/zinc/32/94/45/661329445.db2.gz LMAPUUKUUFWVSC-MRXNPFEDSA-N 1 0 392.297 2.622 20 0 GFADRO O=C1CCc2cc(Cl)c(S(=O)(=O)N3CCCC[C@H]3[C@@H]3CC[NH2+]C3)cc21 ZINC000842482487 661341416 /nfs/dbraw/zinc/34/14/16/661341416.db2.gz TWCUJAZBJWOWDE-CJNGLKHVSA-N 1 0 382.913 2.622 20 0 GFADRO Brc1cc2c(cc1Cc1nc([C@H]3CCC[NH2+]C3)no1)OCCO2 ZINC000842667462 661348072 /nfs/dbraw/zinc/34/80/72/661348072.db2.gz HCLUTNLAIHHZNS-JTQLQIEISA-N 1 0 380.242 2.661 20 0 GFADRO COc1ccc2nc(Cl)ccc2c1S(=O)(=O)N1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000842722257 661351042 /nfs/dbraw/zinc/35/10/42/661351042.db2.gz ONROLLVFCYFYOJ-BXUZGUMPSA-N 1 0 383.901 2.645 20 0 GFADRO CCN(OC)C(=O)C[NH2+]Cc1ccc(Br)c(Br)c1 ZINC000842769804 661353344 /nfs/dbraw/zinc/35/33/44/661353344.db2.gz XEPXNYUCMYYHEY-UHFFFAOYSA-N 1 0 380.080 2.711 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H]2CN(S(=O)(=O)/C=C\c3ccccc3Br)C[C@@H]21 ZINC000842794058 661354492 /nfs/dbraw/zinc/35/44/92/661354492.db2.gz PPBXHDNFVXWDSL-XDUQRVGGSA-N 1 0 385.327 2.809 20 0 GFADRO O=S(=O)(/C=C\c1ccccc1Br)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000842859865 661357587 /nfs/dbraw/zinc/35/75/87/661357587.db2.gz ANQHECMZOLYQQU-BDJZEXMMSA-N 1 0 385.327 2.825 20 0 GFADRO O=S(=O)(c1ccc(C(F)(F)F)cn1)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000842875357 661358333 /nfs/dbraw/zinc/35/83/33/661358333.db2.gz NQDIHWHMKVJRSY-CHWSQXEVSA-N 1 0 377.432 2.501 20 0 GFADRO CC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000842876203 661358556 /nfs/dbraw/zinc/35/85/56/661358556.db2.gz RIKWIKYSFUXQLT-JKSUJKDBSA-N 1 0 384.929 2.943 20 0 GFADRO C[C@](O)(C[NH2+]C[C@H](CO)c1cccnc1)c1ccc(Br)cc1F ZINC000843081297 661366803 /nfs/dbraw/zinc/36/68/03/661366803.db2.gz ATYTVGDLVIXVBR-DYVFJYSZSA-N 1 0 383.261 2.556 20 0 GFADRO O[C@H](C[NH2+]C[C@@H](O)c1ccccc1Br)COCc1ccccc1F ZINC000843092456 661367472 /nfs/dbraw/zinc/36/74/72/661367472.db2.gz DAVZJCWGLBFCRO-RDTXWAMCSA-N 1 0 398.272 2.789 20 0 GFADRO O=S(=O)(CC[NH2+]C[C@@H](O)c1cc(F)cc(Cl)c1)c1ccc(F)cc1 ZINC000843111688 661368677 /nfs/dbraw/zinc/36/86/77/661368677.db2.gz MGJPSDBDQCEOKV-MRXNPFEDSA-N 1 0 375.824 2.715 20 0 GFADRO CN(Cc1ccccc1)C[C@H](O)C[NH2+]C[C@H](O)c1cccc(Br)c1 ZINC000843113287 661369052 /nfs/dbraw/zinc/36/90/52/661369052.db2.gz REPMXDGXLUGQAW-MOPGFXCFSA-N 1 0 393.325 2.565 20 0 GFADRO O[C@H](C[NH2+][C@@H]1COc2ccccc2[C@H]1O)COc1cc(Cl)ccc1Cl ZINC000843115870 661369395 /nfs/dbraw/zinc/36/93/95/661369395.db2.gz KRPFYCIYLFJSCV-CDHAZOANSA-N 1 0 384.259 2.817 20 0 GFADRO Cn1ccnc1[C@@H]([NH2+]C[C@H](O)c1ccccc1Br)C(C)(C)CO ZINC000843119496 661370068 /nfs/dbraw/zinc/37/00/68/661370068.db2.gz UUKVCKIHOKRRGM-LSDHHAIUSA-N 1 0 382.302 2.565 20 0 GFADRO Cc1ccc(-c2noc(-c3cn(C4CC[NH2+]CC4)nn3)n2)cc1Br ZINC000843185647 661371551 /nfs/dbraw/zinc/37/15/51/661371551.db2.gz YHXPKZGFIGLXEO-UHFFFAOYSA-N 1 0 389.257 2.991 20 0 GFADRO COc1cc(Br)c(Cc2noc(C[C@H]([NH3+])C3CC3)n2)cc1OC ZINC000843198860 661371721 /nfs/dbraw/zinc/37/17/21/661371721.db2.gz WJDKJOXUVLIDBY-LBPRGKRZSA-N 1 0 382.258 2.720 20 0 GFADRO [NH3+]CCCCc1nc(Cc2cccc(F)c2I)no1 ZINC000843209354 661372905 /nfs/dbraw/zinc/37/29/05/661372905.db2.gz OJKJQDXSLIRWMP-UHFFFAOYSA-N 1 0 375.185 2.686 20 0 GFADRO O=C(Cc1noc(CC[C@@H]2CCC[NH2+]2)n1)Nc1ccccc1Br ZINC000843218718 661373536 /nfs/dbraw/zinc/37/35/36/661373536.db2.gz CXYVCDAZCKDDLJ-NSHDSACASA-N 1 0 379.258 2.698 20 0 GFADRO Brc1cccc(-c2nc(-c3noc(C[C@@H]4CCC[NH2+]4)n3)n[nH]2)c1 ZINC000843228295 661374260 /nfs/dbraw/zinc/37/42/60/661374260.db2.gz SBOZYOAVANCFGN-NSHDSACASA-N 1 0 375.230 2.579 20 0 GFADRO C[C@H](CNC(=O)CO[C@@H]1CCC[NH2+]C1)Sc1ccc(Br)cc1 ZINC000843437198 661381716 /nfs/dbraw/zinc/38/17/16/661381716.db2.gz QHEMMOFXLOYEJC-TZMCWYRMSA-N 1 0 387.343 2.815 20 0 GFADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1cc2c(cncc2Br)s1 ZINC000843778375 661392375 /nfs/dbraw/zinc/39/23/75/661392375.db2.gz ISNDOENQOGFLAP-QWRGUYRKSA-N 1 0 396.310 2.652 20 0 GFADRO CN(C[C@@H]1CCC[N@@H+]1C)CN1CC(c2ccc(Br)cc2)=CC1=O ZINC000844708343 661436076 /nfs/dbraw/zinc/43/60/76/661436076.db2.gz PKPXPIHEFZHHPF-KRWDZBQOSA-N 1 0 378.314 2.658 20 0 GFADRO CC[C@H](c1noc([C@]23C[NH2+]C[C@H]2COC3)n1)c1ccc(Br)cc1 ZINC000844916885 661449269 /nfs/dbraw/zinc/44/92/69/661449269.db2.gz YGBDVMSDEQDUFN-JDFRZJQESA-N 1 0 378.270 2.861 20 0 GFADRO COc1cc[nH+]c(N2CCN(C(=O)NCCC[C@H]3CC3(Cl)Cl)CC2)c1 ZINC000845669906 661487147 /nfs/dbraw/zinc/48/71/47/661487147.db2.gz XBCMHJWJLCZPSF-ZDUSSCGKSA-N 1 0 387.311 2.896 20 0 GFADRO C[NH+](C)C[C@@H](CNS(=O)(=O)c1ccccc1C=O)c1ccc(Cl)cc1 ZINC000845955206 661509012 /nfs/dbraw/zinc/50/90/12/661509012.db2.gz JZJBAUSASWICGU-MRXNPFEDSA-N 1 0 380.897 2.776 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(S(=O)(=O)/C=C\c3cccc(Cl)c3)C2)C1 ZINC000846230114 661539182 /nfs/dbraw/zinc/53/91/82/661539182.db2.gz HJUTWCMHZQLCAA-NYWIHWJNSA-N 1 0 384.929 2.859 20 0 GFADRO Cc1cc(NC(=O)N2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)cnc1Br ZINC000846315310 661545029 /nfs/dbraw/zinc/54/50/29/661545029.db2.gz KEFNWQVHIQAMOR-GZBFAFLISA-N 1 0 397.317 2.903 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2C(=O)[C@@H](O)c2cc(Cl)cc(Cl)c2)C1 ZINC000846699772 661562247 /nfs/dbraw/zinc/56/22/47/661562247.db2.gz QLNFURIFFCIUTF-NCOADZHNSA-N 1 0 387.307 2.914 20 0 GFADRO BrC1(CN2CCN([C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)CC1 ZINC000846898619 661569710 /nfs/dbraw/zinc/56/97/10/661569710.db2.gz ISOBVMATAGTBJP-SFHVURJKSA-N 1 0 378.358 2.806 20 0 GFADRO C[C@@H](CNC(=O)c1cc(Br)cnc1Cl)N1C[C@@H](C)O[C@@H](C)C1 ZINC000847181060 661580090 /nfs/dbraw/zinc/58/00/90/661580090.db2.gz GIYWIJSAWUJRLH-GARJFASQSA-N 1 0 390.709 2.725 20 0 GFADRO O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1cn2c(Br)cnc2s1 ZINC000847255929 661584355 /nfs/dbraw/zinc/58/43/55/661584355.db2.gz NMQKKWVYWWFZQN-GHMZBOCLSA-N 1 0 383.315 2.905 20 0 GFADRO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)c1nc(F)ccc1Br ZINC000847368299 661589447 /nfs/dbraw/zinc/58/94/47/661589447.db2.gz ZQQMLFHKWUGDMA-ZDUSSCGKSA-N 1 0 380.261 2.886 20 0 GFADRO CSc1cc(Br)ccc1C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000847406065 661590941 /nfs/dbraw/zinc/59/09/41/661590941.db2.gz AAAGDGKUXZUERJ-OLZOCXBDSA-N 1 0 385.327 2.764 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)c2ccccc2S(=O)(=O)C(F)(F)F)C1 ZINC000847548903 661596636 /nfs/dbraw/zinc/59/66/36/661596636.db2.gz DMWXUTCJQQEOTI-VXGBXAGGSA-N 1 0 378.416 2.583 20 0 GFADRO C[N@@H+]1CC[C@@H](CCOC(=O)[C@@H]2CC(=O)N(c3ccccc3Br)C2)C1 ZINC000847825029 661612423 /nfs/dbraw/zinc/61/24/23/661612423.db2.gz PWUOIZQNWDLFLZ-UONOGXRCSA-N 1 0 395.297 2.687 20 0 GFADRO COCC[NH+]1CCC(OC(=O)Cc2cc(OC)ccc2Br)CC1 ZINC000847883088 661615066 /nfs/dbraw/zinc/61/50/66/661615066.db2.gz IAYCUZOMJVCAGF-UHFFFAOYSA-N 1 0 386.286 2.654 20 0 GFADRO COc1ccccc1CNC(=[NH2+])NC[C@@H](O)c1cccc(Br)c1 ZINC000848992404 661690467 /nfs/dbraw/zinc/69/04/67/661690467.db2.gz XEEIYTFQZQFYGX-OAHLLOKOSA-N 1 0 378.270 2.805 20 0 GFADRO CCOCCCNC(=[NH2+])NCc1ccc(I)cc1Cl ZINC000849094691 661691551 /nfs/dbraw/zinc/69/15/51/661691551.db2.gz PQWFWCWIVUSJDS-UHFFFAOYSA-N 1 0 395.672 2.985 20 0 GFADRO [NH2+]=C(NCCc1ccccc1)NC[C@@H](CO)Cc1cccc(Br)c1 ZINC000849103693 661691893 /nfs/dbraw/zinc/69/18/93/661691893.db2.gz ZOYXMQPFJFNJTI-KRWDZBQOSA-N 1 0 390.325 2.957 20 0 GFADRO COc1ccc(CCNC(=[NH2+])NC[C@H](O)c2ccccc2Br)cc1 ZINC000849110058 661692350 /nfs/dbraw/zinc/69/23/50/661692350.db2.gz QJURYHVIOHAHJP-KRWDZBQOSA-N 1 0 392.297 2.848 20 0 GFADRO [NH2+]=C(NCCCS(=O)(=O)c1ccc(Cl)cc1)NCCc1cccs1 ZINC000849113632 661692867 /nfs/dbraw/zinc/69/28/67/661692867.db2.gz XTAYMCKEFWLBSG-UHFFFAOYSA-N 1 0 385.942 2.922 20 0 GFADRO O=S(=O)(Cc1cc(F)ccc1Cl)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000849375187 661711590 /nfs/dbraw/zinc/71/15/90/661711590.db2.gz PWULHMJIALMHBU-MRXNPFEDSA-N 1 0 390.908 2.542 20 0 GFADRO Cn1cc([C@H]2C[N@H+](C)CC[C@H]2C(=O)NCc2sccc2Br)cn1 ZINC000849513921 661734005 /nfs/dbraw/zinc/73/40/05/661734005.db2.gz WZDMJJGFQDQZOM-CHWSQXEVSA-N 1 0 397.342 2.596 20 0 GFADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@H]2C(=O)NCc2sccc2Br)cn1 ZINC000849513923 661734391 /nfs/dbraw/zinc/73/43/91/661734391.db2.gz WZDMJJGFQDQZOM-OLZOCXBDSA-N 1 0 397.342 2.596 20 0 GFADRO Cc1nc(Br)ccc1NC(=O)[C@@H]1CC[N@@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000849574040 661734832 /nfs/dbraw/zinc/73/48/32/661734832.db2.gz VOZGBZKFMSTEKS-ZIAGYGMSSA-N 1 0 392.301 2.560 20 0 GFADRO COc1cc(OC)cc([C@@H](O)C[NH2+]Cc2cncc(Br)c2C)c1 ZINC000850146801 661766104 /nfs/dbraw/zinc/76/61/04/661766104.db2.gz YCIYOTZPBXRKSB-KRWDZBQOSA-N 1 0 381.270 2.993 20 0 GFADRO Ic1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CN3CCC[C@@H]3CO1)CC2 ZINC000850434014 661775975 /nfs/dbraw/zinc/77/59/75/661775975.db2.gz UAFRRACMFYAHAE-BFYDXBDKSA-N 1 0 398.288 2.731 20 0 GFADRO COC1([C@@H](C)[NH2+]CCOc2ccc(S(=O)(=O)C(F)(F)F)cc2)CCC1 ZINC000850447651 661776807 /nfs/dbraw/zinc/77/68/07/661776807.db2.gz ISUVMRBAJHKFPR-GFCCVEGCSA-N 1 0 381.416 2.906 20 0 GFADRO C[C@H]([NH2+]CC[S@@](=O)CC(F)(F)F)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000850496615 661779447 /nfs/dbraw/zinc/77/94/47/661779447.db2.gz PMRYSJBERJWMKC-UOXLDJKESA-N 1 0 386.480 2.923 20 0 GFADRO CCN(C(=O)C(=O)Nc1ccc2nc(SC)sc2c1)[C@H]1CC[N@H+](C)C1 ZINC000850582667 661782104 /nfs/dbraw/zinc/78/21/04/661782104.db2.gz GTYWRZMUNONJMJ-LBPRGKRZSA-N 1 0 378.523 2.509 20 0 GFADRO O=S(=O)(c1cc(Cl)cc(Br)c1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000850587844 661782411 /nfs/dbraw/zinc/78/24/11/661782411.db2.gz LQKUHDKHGJGGFI-CQSZACIVSA-N 1 0 393.734 2.867 20 0 GFADRO Cn1c(Cl)cnc1-c1csc(NC(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)n1 ZINC000850753695 661790350 /nfs/dbraw/zinc/79/03/50/661790350.db2.gz BUFULWGODPUUQB-GARJFASQSA-N 1 0 380.905 2.788 20 0 GFADRO C[C@]1(C(=O)NCc2ccc(CC[NH3+])cc2)CC1(Br)Br ZINC000851631552 661826760 /nfs/dbraw/zinc/82/67/60/661826760.db2.gz VAGWGIGRSXLVEF-CYBMUJFWSA-N 1 0 390.119 2.700 20 0 GFADRO CC1(C)OC[C@@H](CC[N@H+](CCO)Cc2cc(Br)ccc2F)O1 ZINC000851751844 661830396 /nfs/dbraw/zinc/83/03/96/661830396.db2.gz WYDDOIPOQFAQNW-CQSZACIVSA-N 1 0 376.266 2.924 20 0 GFADRO CN(CCn1cnc(Br)n1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000851796144 661832639 /nfs/dbraw/zinc/83/26/39/661832639.db2.gz VSZNSMVLXVYWHP-MRXNPFEDSA-N 1 0 378.318 2.637 20 0 GFADRO CC[NH+](CC)CCS(=O)(=O)N[C@H](C(C)C)[C@@H](O)c1ccc(Cl)cc1 ZINC000851864219 661840670 /nfs/dbraw/zinc/84/06/70/661840670.db2.gz WDIHKQKVQQFAOF-SJORKVTESA-N 1 0 376.950 2.659 20 0 GFADRO C[C@@H]1Cc2ccc(Br)cc2C[N@@H+]1C[C@](O)(C(N)=O)c1ccccc1 ZINC000851884084 661842819 /nfs/dbraw/zinc/84/28/19/661842819.db2.gz AGVLUMGBBNCBKJ-BFUOFWGJSA-N 1 0 389.293 2.569 20 0 GFADRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)N2CCn3ncc(Br)c3C2)C1 ZINC000851979012 661847549 /nfs/dbraw/zinc/84/75/49/661847549.db2.gz SEXFJIJIAGLUJN-KBPBESRZSA-N 1 0 398.349 2.539 20 0 GFADRO C[C@H]([NH2+]CC(=O)Nc1ccc(Cl)nc1)C1CCN(CC(F)(F)F)CC1 ZINC000852017039 661849257 /nfs/dbraw/zinc/84/92/57/661849257.db2.gz RIGIFIGLGPKBPQ-NSHDSACASA-N 1 0 378.826 2.926 20 0 GFADRO FC(F)(Br)CN1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000852041435 661850400 /nfs/dbraw/zinc/85/04/00/661850400.db2.gz OSLULVXWILBQRY-MRXNPFEDSA-N 1 0 388.300 2.866 20 0 GFADRO COC(=O)C[C@@](C)([NH2+]C[C@@H](O)c1ccccn1)c1ccc(Br)cc1 ZINC000852045221 661850589 /nfs/dbraw/zinc/85/05/89/661850589.db2.gz UKBLNKWTYVILFH-SJLPKXTDSA-N 1 0 393.281 2.946 20 0 GFADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)N1CC[C@H]1c1ccc(Br)cc1 ZINC000852066520 661851302 /nfs/dbraw/zinc/85/13/02/661851302.db2.gz QHMAGCGKVQCHGK-BBWFWOEESA-N 1 0 394.313 2.769 20 0 GFADRO C[N@H+](CCSc1ccc(F)cc1F)C[C@@H](O)CNC(=O)OC(C)(C)C ZINC000852105190 661852874 /nfs/dbraw/zinc/85/28/74/661852874.db2.gz UGJCBWKMVXTJTK-ZDUSSCGKSA-N 1 0 376.469 2.874 20 0 GFADRO CC(C)C[NH2+]C1(CO)CCN(C[C@H](O)c2cccc(Br)c2)CC1 ZINC000852123805 661853692 /nfs/dbraw/zinc/85/36/92/661853692.db2.gz ZYPPWQXPFSRFSI-KRWDZBQOSA-N 1 0 385.346 2.555 20 0 GFADRO OCC1([C@H]([NH2+]CCn2cnc(Br)n2)c2ccccc2)CCCC1 ZINC000852154052 661854879 /nfs/dbraw/zinc/85/48/79/661854879.db2.gz MHFFUHCCXDIAGU-OAHLLOKOSA-N 1 0 379.302 2.924 20 0 GFADRO CC(C)SCC[NH+]1CCC(n2nncc2I)CC1 ZINC000852532309 661866399 /nfs/dbraw/zinc/86/63/99/661866399.db2.gz HGVATNMDWCSCAR-UHFFFAOYSA-N 1 0 380.299 2.661 20 0 GFADRO COC(=O)N(C)CCN(C)CC(=O)N[C@H](C)c1ccc(Cl)cc1Cl ZINC000852571132 661867116 /nfs/dbraw/zinc/86/71/16/661867116.db2.gz UWLDHKPMVGKOQF-LLVKDONJSA-N 1 0 376.284 2.801 20 0 GFADRO COC(=O)NC1CC[NH+](C[C@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000852770398 661874142 /nfs/dbraw/zinc/87/41/42/661874142.db2.gz MPROHMCBGXWMLF-ZDUSSCGKSA-N 1 0 377.268 2.554 20 0 GFADRO O=C(c1cnn(-c2ccccc2)c1Br)N(C1CC1)C1CC[NH2+]CC1 ZINC000852792946 661874544 /nfs/dbraw/zinc/87/45/44/661874544.db2.gz JITSHWDKEIYFJP-UHFFFAOYSA-N 1 0 389.297 2.991 20 0 GFADRO O=C(c1ccc(C(F)(F)Br)nc1)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000852821043 661875241 /nfs/dbraw/zinc/87/52/41/661875241.db2.gz XNEFVJPAQCNBGX-WCQYABFASA-N 1 0 388.256 2.988 20 0 GFADRO O=C(NCCc1ccc(Br)cc1F)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000852837339 661875532 /nfs/dbraw/zinc/87/55/32/661875532.db2.gz UPIVGHCMEHZRQN-ZDUSSCGKSA-N 1 0 383.183 2.789 20 0 GFADRO Cn1ncc(C(=O)N2CC[NH2+]C[C@@H]2c2cccc(Cl)c2)c1Br ZINC000852879654 661876383 /nfs/dbraw/zinc/87/63/83/661876383.db2.gz YDNUEKYMCVFUGU-CYBMUJFWSA-N 1 0 383.677 2.623 20 0 GFADRO C[C@@H]1CCN(C(=O)c2cnn(-c3ccccc3)c2Br)C[C@@H]1C[NH3+] ZINC000852891541 661876507 /nfs/dbraw/zinc/87/65/07/661876507.db2.gz SSCYJAUDUGZFHP-OLZOCXBDSA-N 1 0 377.286 2.692 20 0 GFADRO CN([C@@H](C[NH3+])C(F)(F)F)S(=O)(=O)/C=C/c1ccc(Br)cc1 ZINC000853081979 661881660 /nfs/dbraw/zinc/88/16/60/661881660.db2.gz ZAABQJJGPMKFLB-MLRMMBSGSA-N 1 0 387.221 2.571 20 0 GFADRO COc1cc(NC(=O)CC[NH2+]CCC2SCCS2)cc(OC)c1OC ZINC000853121823 661882973 /nfs/dbraw/zinc/88/29/73/661882973.db2.gz IXFTXYXYVCGSJG-UHFFFAOYSA-N 1 0 386.539 2.827 20 0 GFADRO CC[NH+]1CCN(c2ccc(CNc3ncnc(F)c3Br)cn2)CC1 ZINC000853172041 661884499 /nfs/dbraw/zinc/88/44/99/661884499.db2.gz XKOHDYRWEQKESC-UHFFFAOYSA-N 1 0 395.280 2.527 20 0 GFADRO CCNS(=O)(=O)CC[NH2+][C@H]1CCCSc2ccc(Br)cc21 ZINC000853235073 661885641 /nfs/dbraw/zinc/88/56/41/661885641.db2.gz FLGGULAGMOKKMU-ZDUSSCGKSA-N 1 0 393.372 2.905 20 0 GFADRO Cc1nc(-c2ccc(Br)cc2)nn1C[N@@H+]1C[C@@H]2COC[C@@]2(C)C1 ZINC000853565751 661892776 /nfs/dbraw/zinc/89/27/76/661892776.db2.gz JQYCLSHSSDDNCA-RHSMWYFYSA-N 1 0 377.286 2.942 20 0 GFADRO C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)NC[C@@H]2CSCCS2)C1 ZINC000853842454 661903594 /nfs/dbraw/zinc/90/35/94/661903594.db2.gz BQOZMALWVXSXFS-QZTJIDSGSA-N 1 0 379.595 2.793 20 0 GFADRO CCc1c(Cl)nc(CS(C)(=O)=O)nc1N[C@@H](C)C[NH+]1CCC(C)CC1 ZINC000853867708 661905242 /nfs/dbraw/zinc/90/52/42/661905242.db2.gz OYPILZQQVOPAJN-ZDUSSCGKSA-N 1 0 388.965 2.769 20 0 GFADRO COc1nc(-c2noc(-c3cccc4c3CC[NH2+]C4)n2)ncc1Br ZINC000854148995 661916589 /nfs/dbraw/zinc/91/65/89/661916589.db2.gz PCBKKAOGQFBEDX-UHFFFAOYSA-N 1 0 388.225 2.610 20 0 GFADRO C[N@@H+]1CCC[C@H]1[C@H]1COCCN1C(=O)c1cc(Cl)nc(C(F)(F)F)c1 ZINC000854642870 661944916 /nfs/dbraw/zinc/94/49/16/661944916.db2.gz RWUUQBSTIAAIFW-NWDGAFQWSA-N 1 0 377.794 2.689 20 0 GFADRO C[NH+](C)CCn1nccc1NC(=O)C(F)(F)c1ccc(Br)cc1 ZINC000854664990 661947018 /nfs/dbraw/zinc/94/70/18/661947018.db2.gz KGZYBSLMUGSGCH-UHFFFAOYSA-N 1 0 387.228 2.938 20 0 GFADRO C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@]1(C)CC1(Br)Br)C2 ZINC000854734809 661952472 /nfs/dbraw/zinc/95/24/72/661952472.db2.gz DLETWJMKWMGJEH-QWHCGFSZSA-N 1 0 394.151 2.827 20 0 GFADRO Cc1csc([C@@](O)(CC(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)C(F)(F)F)n1 ZINC000855290049 661983266 /nfs/dbraw/zinc/98/32/66/661983266.db2.gz XWAZKXCDVLOHFZ-NHYWBVRUSA-N 1 0 379.448 2.581 20 0 GFADRO C[NH+](C)C[C@H]1COC2(CCCC2)CN1C(=O)c1cccc(Br)n1 ZINC000856410734 662032490 /nfs/dbraw/zinc/03/24/90/662032490.db2.gz OAAIEXVNLBDQCY-ZDUSSCGKSA-N 1 0 382.302 2.560 20 0 GFADRO C[N@@H+]1CCCC[C@H]1CCC(=O)N1CC(O)(c2ccc(Br)cc2)C1 ZINC000857338280 662075281 /nfs/dbraw/zinc/07/52/81/662075281.db2.gz ZOYOVQDONJUEQV-INIZCTEOSA-N 1 0 381.314 2.743 20 0 GFADRO O=C(NC[C@H]1[NH2+]CCc2ccccc21)c1nc(C2CC2)ncc1Br ZINC000857767096 662090218 /nfs/dbraw/zinc/09/02/18/662090218.db2.gz ZKBZLVFGXSVOPD-OAHLLOKOSA-N 1 0 387.281 2.733 20 0 GFADRO O=S(=O)(N1CCC([NH2+][C@@H]2CCc3ccc(Cl)nc32)CC1)C(F)(F)F ZINC000857908363 662094381 /nfs/dbraw/zinc/09/43/81/662094381.db2.gz ZFFIYOUMKUFITM-LLVKDONJSA-N 1 0 383.823 2.626 20 0 GFADRO Cn1cc(C[NH2+]C[C@H]2CSCCN2Cc2ccccc2)c(Br)n1 ZINC000858160758 662102551 /nfs/dbraw/zinc/10/25/51/662102551.db2.gz PDIYUQQHXYUPQY-INIZCTEOSA-N 1 0 395.370 2.890 20 0 GFADRO COc1cc(NCc2cn(C)nc2Br)ccc1OCC[NH+](C)C ZINC000858179234 662103509 /nfs/dbraw/zinc/10/35/09/662103509.db2.gz JQGXMJSZUGQZHL-UHFFFAOYSA-N 1 0 383.290 2.744 20 0 GFADRO CCC1([NH+]2CCOCC2)CCN(C(=O)NC[C@]2(C)CC2(Cl)Cl)CC1 ZINC000858513921 662113843 /nfs/dbraw/zinc/11/38/43/662113843.db2.gz SEGAEUCBHTVXFW-HNNXBMFYSA-N 1 0 378.344 2.857 20 0 GFADRO CCC1([NH+]2CCOCC2)CCN(C(=O)NC[C@@]2(C)CC2(Cl)Cl)CC1 ZINC000858513922 662113865 /nfs/dbraw/zinc/11/38/65/662113865.db2.gz SEGAEUCBHTVXFW-OAHLLOKOSA-N 1 0 378.344 2.857 20 0 GFADRO CCCN(C1CC[NH2+]CC1)S(=O)(=O)c1ccc(NC(=O)OC)c(Cl)c1 ZINC000858608035 662116056 /nfs/dbraw/zinc/11/60/56/662116056.db2.gz LQKLXHZULGWZKH-UHFFFAOYSA-N 1 0 389.905 2.671 20 0 GFADRO O=S(=O)(/C=C\c1cccc(Cl)c1)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000858643548 662117797 /nfs/dbraw/zinc/11/77/97/662117797.db2.gz DZPRCWTUJKJXHG-VTSXBNNFSA-N 1 0 384.929 2.731 20 0 GFADRO O=S(=O)(/C=C/c1ccc(Cl)cc1)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000858644336 662117868 /nfs/dbraw/zinc/11/78/68/662117868.db2.gz ZQFLORADZXTXGL-HCWHUNCVSA-N 1 0 384.929 2.731 20 0 GFADRO C[N@@H+]1CCCC[C@@H](CNC(=O)NC[C@@H](O)c2ccccc2Br)C1 ZINC000858766506 662122344 /nfs/dbraw/zinc/12/23/44/662122344.db2.gz NVWNCZBAKDLATN-XJKSGUPXSA-N 1 0 384.318 2.514 20 0 GFADRO CC(C)(C)[NH+]1CCC(NS(=O)(=O)c2ccc(Br)nc2F)CC1 ZINC000858911715 662127267 /nfs/dbraw/zinc/12/72/67/662127267.db2.gz FNHNKVPWPUDUHR-UHFFFAOYSA-N 1 0 394.310 2.524 20 0 GFADRO CCN1CC[NH+](C[C@H](C)CNC(=O)OCc2ccc(Br)cc2)CC1 ZINC000859024359 662132399 /nfs/dbraw/zinc/13/23/99/662132399.db2.gz FALDKEBRPYAGOA-OAHLLOKOSA-N 1 0 398.345 2.949 20 0 GFADRO OC[C@@H]1CCC2(CCOCC2)C[N@@H+]1C[C@H](O)c1ccccc1Br ZINC000859524149 662166424 /nfs/dbraw/zinc/16/64/24/662166424.db2.gz WMHJDNRFSWHRME-YOEHRIQHSA-N 1 0 384.314 2.736 20 0 GFADRO CC1(C)OC[C@@H](CC[NH2+][C@]2(CO)CCc3cc(Br)ccc3C2)O1 ZINC000859573720 662168264 /nfs/dbraw/zinc/16/82/64/662168264.db2.gz BIIRQEHOSLCLBS-SJLPKXTDSA-N 1 0 384.314 2.800 20 0 GFADRO CO[C@@H]1C[N@H+](C)[C@](C)(COC(=O)c2ccc(C(F)(F)Br)nc2)C1 ZINC000861356369 662242376 /nfs/dbraw/zinc/24/23/76/662242376.db2.gz KBWBPXBIUBVAJY-FZMZJTMJSA-N 1 0 393.228 2.792 20 0 GFADRO CC(C)[C@H](CNC(=O)C(=O)N(C)C[C@@H](C)[NH3+])Cc1ccc(Cl)cc1Cl ZINC000861731070 662256488 /nfs/dbraw/zinc/25/64/88/662256488.db2.gz PRKIIMDLCNMOQS-OCCSQVGLSA-N 1 0 388.339 2.730 20 0 GFADRO CC(C)(C)OC(=O)N1CC(F)(F)C[C@@H]1C[N@@H+]1CCS[C@H]2COCC[C@H]21 ZINC000862251662 662277633 /nfs/dbraw/zinc/27/76/33/662277633.db2.gz KPFUUBBLFHKCST-MCIONIFRSA-N 1 0 378.485 2.837 20 0 GFADRO CC[N@H+](C)Cc1cc(O[C@@H]2CCN(C(=O)[C@@H]3C[C@@]3(C)Br)C2)ccn1 ZINC000862253662 662278149 /nfs/dbraw/zinc/27/81/49/662278149.db2.gz SYGGWCKZNXHXEH-SOLBZPMBSA-N 1 0 396.329 2.687 20 0 GFADRO C[C@@H]([NH2+]C1CCN(S(C)(=O)=O)CC1)c1ccc(C(F)(F)F)nc1Cl ZINC000862378307 662283789 /nfs/dbraw/zinc/28/37/89/662283789.db2.gz CHJQYQIDVQLWQG-SECBINFHSA-N 1 0 385.839 2.828 20 0 GFADRO CC(C)(C)OC(=O)N1CC(F)(F)C[C@@H]1C[N@H+](CCO)C1CCSCC1 ZINC000862388069 662284502 /nfs/dbraw/zinc/28/45/02/662284502.db2.gz WJQUNMIVNHXFLN-CQSZACIVSA-N 1 0 380.501 2.821 20 0 GFADRO O=C(NC[C@H]1CC[N@@H+]1C1CCCCC1)c1nccn2c(Br)cnc12 ZINC000862630525 662295138 /nfs/dbraw/zinc/29/51/38/662295138.db2.gz YZHVOHJCLYKVBL-CYBMUJFWSA-N 1 0 392.301 2.629 20 0 GFADRO C[N@@H+]1CCCC[C@@H](CNC(=O)[C@@]2(C)CC2(Br)Br)C1 ZINC000862796556 662301875 /nfs/dbraw/zinc/30/18/75/662301875.db2.gz RPAUIQDIDWPMNB-CMPLNLGQSA-N 1 0 382.140 2.731 20 0 GFADRO CCN1C(=O)CN(C[N@@H+]2C[C@H](c3ccc(Br)cc3)C[C@@H]2C)C1=O ZINC000863323673 662320624 /nfs/dbraw/zinc/32/06/24/662320624.db2.gz RGDSFZXGMJXQCZ-GXTWGEPZSA-N 1 0 380.286 2.869 20 0 GFADRO Cn1cc(C[NH2+]CC2([C@H]3CCCCO3)CCC2)c(I)n1 ZINC000864052439 662352541 /nfs/dbraw/zinc/35/25/41/662352541.db2.gz LHQWOAMXPBLNSW-CYBMUJFWSA-N 1 0 389.281 2.854 20 0 GFADRO C[NH+](C)[C@@H]1C[C@H](NC(=O)[C@]2(C)CC2(Br)Br)C1(C)C ZINC000864064693 662353166 /nfs/dbraw/zinc/35/31/66/662353166.db2.gz ZJNAVKDRFGLSSG-SBMIAAHKSA-N 1 0 382.140 2.727 20 0 GFADRO C[N@@H+]1C[C@@]2(C)CN(C(=O)c3cc4c(cc3Br)OCO4)C[C@@]2(C)C1 ZINC000864077684 662353834 /nfs/dbraw/zinc/35/38/34/662353834.db2.gz PRDSBHFRZILRSF-CALCHBBNSA-N 1 0 381.270 2.592 20 0 GFADRO O=C(c1ccc(SC(F)(F)F)o1)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000864631053 662381962 /nfs/dbraw/zinc/38/19/62/662381962.db2.gz PKVWLQYASHGDGP-UHFFFAOYSA-N 1 0 377.432 2.745 20 0 GFADRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)c1nc(Br)sc1Cl ZINC000865177483 662402620 /nfs/dbraw/zinc/40/26/20/662402620.db2.gz HUFJGYNTQQABGG-VIFPVBQESA-N 1 0 396.738 2.742 20 0 GFADRO CC(C)NS(=O)(=O)Cc1ccc(C[NH2+]Cc2cnc(Cl)c(F)c2)cc1 ZINC000865430739 662421142 /nfs/dbraw/zinc/42/11/42/662421142.db2.gz NXFRDSCBQHMMKB-UHFFFAOYSA-N 1 0 385.892 2.992 20 0 GFADRO O=C1OC[C@@]2(C[NH2+]Cc3csc(-c4ccc(Cl)cc4)n3)COCCN12 ZINC000865768537 662442402 /nfs/dbraw/zinc/44/24/02/662442402.db2.gz KRJOFFMNOGJXKJ-QGZVFWFLSA-N 1 0 379.869 2.774 20 0 GFADRO CC[NH+]1CCN(CCNC(=O)c2ccc(Br)c(SC)c2)CC1 ZINC000865791506 662443857 /nfs/dbraw/zinc/44/38/57/662443857.db2.gz BIKYMWDRTVJJKJ-UHFFFAOYSA-N 1 0 386.359 2.538 20 0 GFADRO CC[NH+]1CCN(CCCCNC(=O)C(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000865794248 662444105 /nfs/dbraw/zinc/44/41/05/662444105.db2.gz OVOGQJDTWXZOAT-UHFFFAOYSA-N 1 0 386.323 2.710 20 0 GFADRO CN(C)CC[NH+]1CCC(CNC(=O)c2cc3ccnc(Cl)c3s2)CC1 ZINC000865809903 662444702 /nfs/dbraw/zinc/44/47/02/662444702.db2.gz IGMDIATVULJEFM-UHFFFAOYSA-N 1 0 380.945 2.953 20 0 GFADRO CC(C)[C@@H]1C[C@@H](C[NH2+]Cc2c(I)cnn2C)CCO1 ZINC000865869162 662448566 /nfs/dbraw/zinc/44/85/66/662448566.db2.gz YRQFAGQMUMADAO-FZMZJTMJSA-N 1 0 377.270 2.566 20 0 GFADRO O=C(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1cc(Br)no1 ZINC000865925977 662451917 /nfs/dbraw/zinc/45/19/17/662451917.db2.gz PJUGUILAYZWJNA-AWEZNQCLSA-N 1 0 378.270 2.732 20 0 GFADRO COc1c(C)nc(C2CC2)nc1NCc1c(I)cnn1C ZINC000866293142 662467176 /nfs/dbraw/zinc/46/71/76/662467176.db2.gz YUHNMSHCTZFLAS-UHFFFAOYSA-N 1 0 399.236 2.621 20 0 GFADRO O=C(Cn1ccc(Br)cc1=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000866316428 662467684 /nfs/dbraw/zinc/46/76/84/662467684.db2.gz YYSVSTZTSMAANW-UHFFFAOYSA-N 1 0 396.329 2.524 20 0 GFADRO C[NH+](C)[C@]1(CNC(=O)c2nc(Br)sc2Cl)CCSC1 ZINC000866334252 662468252 /nfs/dbraw/zinc/46/82/52/662468252.db2.gz SQHGFERBVHKVGI-NSHDSACASA-N 1 0 384.752 2.726 20 0 GFADRO Cc1ccc(C[NH+](C)C)cc1NC(=O)c1cc(I)nn1C ZINC000866355621 662468853 /nfs/dbraw/zinc/46/88/53/662468853.db2.gz ZYKRTLAORCDFEG-UHFFFAOYSA-N 1 0 398.248 2.647 20 0 GFADRO COc1cc([C@H](C)[NH2+][C@@H](C)[C@H](O)C(F)(F)F)ccc1S(=O)(=O)C(F)F ZINC000866464537 662474719 /nfs/dbraw/zinc/47/47/19/662474719.db2.gz KMHMFAFNWZSRRB-UBJUHAIHSA-N 1 0 391.358 2.654 20 0 GFADRO CC[NH+]1CCC(NS(=O)(=O)Cc2cc(C)ccc2Br)CC1 ZINC000866479443 662475903 /nfs/dbraw/zinc/47/59/03/662475903.db2.gz VCXQNSUEQHAUQZ-UHFFFAOYSA-N 1 0 375.332 2.661 20 0 GFADRO O=C1OC[C@@]2(C[NH2+][C@H](c3ccc(Br)cc3)C3CC3)COCCN12 ZINC000866524915 662478916 /nfs/dbraw/zinc/47/89/16/662478916.db2.gz NMFWCQBYSYKTCS-DOTOQJQBSA-N 1 0 381.270 2.711 20 0 GFADRO NS(=O)(=O)c1ccc2c(c1)[C@@H]([NH2+]CCSCCC(F)(F)F)CCC2 ZINC000866542074 662479678 /nfs/dbraw/zinc/47/96/78/662479678.db2.gz DXTWZPUBYCNCPA-AWEZNQCLSA-N 1 0 382.473 2.987 20 0 GFADRO O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)c1nc(Br)sc1Cl ZINC000866606657 662483732 /nfs/dbraw/zinc/48/37/32/662483732.db2.gz DOHHKAJTPRCKHM-SECBINFHSA-N 1 0 394.722 2.542 20 0 GFADRO CC[C@H](C[C@@H](C)O)[NH2+][C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000866632842 662486244 /nfs/dbraw/zinc/48/62/44/662486244.db2.gz CIHKISPPZKBAQK-MPKXVKKWSA-N 1 0 376.316 2.807 20 0 GFADRO O=S(=O)(c1ccc2onc(Cl)c2c1)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000866766069 662496012 /nfs/dbraw/zinc/49/60/12/662496012.db2.gz HYUQMCOVPWZFIG-OLZOCXBDSA-N 1 0 383.901 2.882 20 0 GFADRO O=S(=O)(c1cc(Cl)cnc1Cl)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000866766348 662496024 /nfs/dbraw/zinc/49/60/24/662496024.db2.gz OZYSHXZGCWIWOO-NWDGAFQWSA-N 1 0 378.325 2.789 20 0 GFADRO Cc1ccc(Br)c(CS(=O)(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000866871554 662505116 /nfs/dbraw/zinc/50/51/16/662505116.db2.gz PLUNRYVPTPJRRX-GXTWGEPZSA-N 1 0 375.332 2.660 20 0 GFADRO Cc1ccc(Br)c(CS(=O)(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000866871556 662505293 /nfs/dbraw/zinc/50/52/93/662505293.db2.gz PLUNRYVPTPJRRX-OCCSQVGLSA-N 1 0 375.332 2.660 20 0 GFADRO C/C(=C\c1ccc(Br)o1)C(=O)N[C@@H](C)CC[NH+]1CCN(C)CC1 ZINC000867479889 662552889 /nfs/dbraw/zinc/55/28/89/662552889.db2.gz LZQFTQFMKVPPLI-FNDVETGQSA-N 1 0 384.318 2.588 20 0 GFADRO C[NH+]1CCC2(CCN(S(=O)(=O)c3cnc(Cl)c(Cl)c3)CC2)CC1 ZINC000867618815 662563235 /nfs/dbraw/zinc/56/32/35/662563235.db2.gz MFVAYEOANDOCMX-UHFFFAOYSA-N 1 0 378.325 2.885 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(S(=O)(=O)c3cc4ccc(Cl)nc4cc3F)CC[C@@H]21 ZINC000867811558 662579209 /nfs/dbraw/zinc/57/92/09/662579209.db2.gz CXEQCPSBQGOOIC-DOMZBBRYSA-N 1 0 383.876 2.742 20 0 GFADRO COc1ccc(CCNC(=O)[C@@H]([NH3+])c2cccc(Br)c2)c(OC)c1 ZINC000867953134 662588972 /nfs/dbraw/zinc/58/89/72/662588972.db2.gz NSSIDBWJOMYHRJ-KRWDZBQOSA-N 1 0 393.281 2.825 20 0 GFADRO CCO[C@@H](C)c1noc(CN(C)C(=O)[C@@H]([NH3+])c2cccc(Br)c2)n1 ZINC000867954001 662589245 /nfs/dbraw/zinc/58/92/45/662589245.db2.gz HWBRJNWLGMFWKQ-HZMBPMFUSA-N 1 0 397.273 2.588 20 0 GFADRO COc1cc(I)ccc1C(=O)N1CCCC[C@@H]1CC[NH3+] ZINC000867971593 662590166 /nfs/dbraw/zinc/59/01/66/662590166.db2.gz SBXXXNGVQGGMQU-GFCCVEGCSA-N 1 0 388.249 2.643 20 0 GFADRO Cc1sc2nc(CS[C@H](C)C(=O)N3CC[C@@](C)([NH3+])C3)[nH]c(=O)c2c1C ZINC000868072797 662593720 /nfs/dbraw/zinc/59/37/20/662593720.db2.gz FWBVRHYCZFXZNB-PIGZYNQJSA-N 1 0 380.539 2.585 20 0 GFADRO [NH3+]CC12CCC(CC1)N2C(=O)C(=O)Nc1cc(Cl)cc(Br)c1 ZINC000868287826 662600488 /nfs/dbraw/zinc/60/04/88/662600488.db2.gz MEVZFLXEODFOSX-UHFFFAOYSA-N 1 0 386.677 2.523 20 0 GFADRO [NH3+]CC12CCC(CC1)N2C(=O)C(=O)Nc1cccc(Br)c1Cl ZINC000868290388 662600898 /nfs/dbraw/zinc/60/08/98/662600898.db2.gz NALQCVKQDNQDRQ-UHFFFAOYSA-N 1 0 386.677 2.523 20 0 GFADRO COC[C@@H](NC(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1)c1cccc(Br)c1 ZINC000868355872 662602733 /nfs/dbraw/zinc/60/27/33/662602733.db2.gz SEMUPUZSDCCQEY-SUMWQHHRSA-N 1 0 396.329 2.920 20 0 GFADRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)N[C@H]1COc2cccc(Br)c2C1 ZINC000868355945 662602992 /nfs/dbraw/zinc/60/29/92/662602992.db2.gz URHXOQGBWYIUPN-QWHCGFSZSA-N 1 0 394.313 2.536 20 0 GFADRO C[NH+](C)CC1CCC(NC(=O)NCc2ncc(Br)s2)CC1 ZINC000868431043 662604926 /nfs/dbraw/zinc/60/49/26/662604926.db2.gz WEUNREHRJCKGAF-UHFFFAOYSA-N 1 0 375.336 2.825 20 0 GFADRO C[N@@H+]1CC[C@H]2CN(C(=O)NCc3cc(F)c(F)cc3Br)CC[C@H]21 ZINC000868601269 662611570 /nfs/dbraw/zinc/61/15/70/662611570.db2.gz BUICBLVTKCUKKV-ZUZCIYMTSA-N 1 0 388.256 2.963 20 0 GFADRO C[NH+](C)CCc1ccc(CNC(=O)NCc2ccc(Br)cn2)cc1 ZINC000869118230 662629900 /nfs/dbraw/zinc/62/99/00/662629900.db2.gz GQEGHPMJVRSFRH-UHFFFAOYSA-N 1 0 391.313 2.948 20 0 GFADRO O=C(NC[C@@H]1CCC[N@H+](CC2CC2)C1)c1cc(Br)cn2ccnc12 ZINC000869328800 662642024 /nfs/dbraw/zinc/64/20/24/662642024.db2.gz LSYNCKLGKKJMNH-AWEZNQCLSA-N 1 0 391.313 2.949 20 0 GFADRO CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)c2c[nH]c3cccc(Br)c23)C1 ZINC000869778738 662661592 /nfs/dbraw/zinc/66/15/92/662661592.db2.gz HWFOZDGDFQRAAA-NSHDSACASA-N 1 0 380.286 2.505 20 0 GFADRO CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)c2cc3cc(Br)sc3[nH]2)C1 ZINC000869781632 662661914 /nfs/dbraw/zinc/66/19/14/662661914.db2.gz SNDHRLMNHCFYFU-JTQLQIEISA-N 1 0 386.315 2.567 20 0 GFADRO CC(=O)N[C@H](C(=O)O[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cccc(Br)c1 ZINC000870343496 662685788 /nfs/dbraw/zinc/68/57/88/662685788.db2.gz LSURZQAWAFHCHC-ZACQAIPSSA-N 1 0 395.297 2.796 20 0 GFADRO CC(=O)N[C@H](C(=O)OCC[C@H]1CC[N@@H+](C)C1)c1cccc(Br)c1 ZINC000870458344 662691039 /nfs/dbraw/zinc/69/10/39/662691039.db2.gz SDPWWOATQDATHL-CJNGLKHVSA-N 1 0 383.286 2.511 20 0 GFADRO Cc1ccc(Br)nc1C(=O)Nc1cc(N2CC[NH+](C)CC2)ccn1 ZINC000870666512 662698255 /nfs/dbraw/zinc/69/82/55/662698255.db2.gz GPXFHQVITMNXAF-UHFFFAOYSA-N 1 0 390.285 2.552 20 0 GFADRO COc1c(C)cnc(CNC(=O)[C@@H]([NH3+])c2cccc(Br)c2)c1C ZINC000870876750 662704411 /nfs/dbraw/zinc/70/44/11/662704411.db2.gz XPXQDIAHAYABRK-HNNXBMFYSA-N 1 0 378.270 2.786 20 0 GFADRO [NH3+][C@@H](C(=O)NCCCCNc1ccccn1)c1cccc(Br)c1 ZINC000870883092 662704644 /nfs/dbraw/zinc/70/46/44/662704644.db2.gz ZKOSWNIFFLNTGJ-MRXNPFEDSA-N 1 0 377.286 2.852 20 0 GFADRO CN1CCN(C(=O)c2cnc(-c3c(Cl)cccc3Cl)s2)[C@H](C[NH3+])C1 ZINC000870938387 662709081 /nfs/dbraw/zinc/70/90/81/662709081.db2.gz NCAXAENEULOWAS-SNVBAGLBSA-N 1 0 385.320 2.832 20 0 GFADRO [NH3+]C[C@H]1CC[C@@H](NC(=O)c2c(F)ccc(I)c2Cl)C1 ZINC000870945958 662710549 /nfs/dbraw/zinc/71/05/49/662710549.db2.gz ZQCIYENEXYCOQU-JGVFFNPUSA-N 1 0 396.631 2.941 20 0 GFADRO Cc1csc([C@@](O)(CC(=O)N2CC[N@@H+](C)C(C)(C)CC2)C(F)(F)F)n1 ZINC000871153554 662716391 /nfs/dbraw/zinc/71/63/91/662716391.db2.gz PXXUCWIZNJGOGG-HNNXBMFYSA-N 1 0 379.448 2.534 20 0 GFADRO O=S(=O)(Cc1c(Cl)cccc1Cl)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000871809545 662734752 /nfs/dbraw/zinc/73/47/52/662734752.db2.gz DZJPIZNGKDDORZ-LBPRGKRZSA-N 1 0 393.336 2.572 20 0 GFADRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2cc(Cl)sc2Cl)C[C@H]1C(F)(F)F ZINC000871810617 662734895 /nfs/dbraw/zinc/73/48/95/662734895.db2.gz IUKZHMGBCDIGMQ-PHDIDXHHSA-N 1 0 383.244 2.813 20 0 GFADRO [NH3+]C[C@H]1CN(S(=O)(=O)c2c(Cl)cc(F)cc2Cl)C[C@H]1C(F)(F)F ZINC000871812906 662735025 /nfs/dbraw/zinc/73/50/25/662735025.db2.gz DPQUUNRFMJGQCO-POYBYMJQSA-N 1 0 395.205 2.890 20 0 GFADRO [NH3+]C[C@H]1CN(S(=O)(=O)c2csnc2-c2ccccc2)C[C@H]1C(F)(F)F ZINC000871812844 662735044 /nfs/dbraw/zinc/73/50/44/662735044.db2.gz LPQPZBIMYKXABJ-NWDGAFQWSA-N 1 0 391.440 2.568 20 0 GFADRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)s2)C[C@H]1C(F)(F)F ZINC000871812881 662735052 /nfs/dbraw/zinc/73/50/52/662735052.db2.gz DEWGHFODTMMRBU-RNFRBKRXSA-N 1 0 382.351 2.525 20 0 GFADRO Cc1nn(C)c(Cl)c1S(=O)(=O)N1CCC[C@@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000871822040 662735898 /nfs/dbraw/zinc/73/58/98/662735898.db2.gz AEVJPGMRZLRHAF-DZGCQCFKSA-N 1 0 388.965 2.690 20 0 GFADRO CC[NH+](CC)[C@H](CN1C(=O)N[C@H](Cc2cncs2)C1=O)c1ccsc1 ZINC000871891099 662739997 /nfs/dbraw/zinc/73/99/97/662739997.db2.gz KJUUDABEAYIITO-HUUCEWRRSA-N 1 0 378.523 2.751 20 0 GFADRO CC(C)(O)C[C@H](O)C[NH+]1CCC(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000871976136 662748269 /nfs/dbraw/zinc/74/82/69/662748269.db2.gz DCLFYXHXSPYWRT-INIZCTEOSA-N 1 0 399.329 2.622 20 0 GFADRO O[C@H](C[NH2+][C@@H](c1cccc(Br)c1)[C@H]1CCOC1)COCC1CC1 ZINC000872031800 662754365 /nfs/dbraw/zinc/75/43/65/662754365.db2.gz TYQNMABPEYLPPO-JQHSSLGASA-N 1 0 384.314 2.904 20 0 GFADRO OCC1(C[NH2+][C@H](c2cccc(Br)c2)[C@@H]2CCOC2)CCOCC1 ZINC000872050649 662754831 /nfs/dbraw/zinc/75/48/31/662754831.db2.gz AVZYZOJNHASPEY-NVXWUHKLSA-N 1 0 384.314 2.905 20 0 GFADRO OC[C@H](C[NH2+][C@H](c1cccc(Br)c1)[C@@H]1CCOC1)[C@@H]1CCOC1 ZINC000872067545 662755103 /nfs/dbraw/zinc/75/51/03/662755103.db2.gz AXTIFDYGNIOTOF-XLMAVXFVSA-N 1 0 384.314 2.761 20 0 GFADRO Cn1ncc(I)c1C[NH2+][C@H]1CCOC2(CCCC2)C1 ZINC000872096130 662755899 /nfs/dbraw/zinc/75/58/99/662755899.db2.gz XVIYNTWGCQVVNR-NSHDSACASA-N 1 0 375.254 2.606 20 0 GFADRO C[C@H]([NH2+]CCOC(F)(F)C(F)(F)F)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000872109941 662755998 /nfs/dbraw/zinc/75/59/98/662755998.db2.gz ALCNQVFDOSBAMH-JTQLQIEISA-N 1 0 390.374 2.759 20 0 GFADRO [NH3+]C[C@@H]1CN(CC(=O)Nc2ccc(Br)cc2F)C[C@H]1C(F)(F)F ZINC000872147044 662756479 /nfs/dbraw/zinc/75/64/79/662756479.db2.gz CIHLMHQLHIBLEJ-PSASIEDQSA-N 1 0 398.198 2.596 20 0 GFADRO [NH3+]C[C@@H]1CN(Cc2cc3c(cc2Br)OCO3)C[C@@H]1C(F)(F)F ZINC000872148211 662756703 /nfs/dbraw/zinc/75/67/03/662756703.db2.gz OHQUUZKGYIRLOZ-ZJUUUORDSA-N 1 0 381.192 2.747 20 0 GFADRO CS(=O)(=O)Cc1nc(CN2CCC[C@H](C[C@H]([NH3+])C3CCCC3)C2)cs1 ZINC000872156318 662757208 /nfs/dbraw/zinc/75/72/08/662757208.db2.gz HYSBKFHUTUDDKG-PBHICJAKSA-N 1 0 385.599 2.807 20 0 GFADRO CS(=O)(=O)c1ccc([C@H](O)C[NH2+]Cc2ccsc2C(F)(F)F)cc1 ZINC000872216969 662758218 /nfs/dbraw/zinc/75/82/18/662758218.db2.gz KHCUPSSRAZTTIC-CYBMUJFWSA-N 1 0 379.425 2.994 20 0 GFADRO COC[C@H]([NH2+]C[C@H](O)COCc1ccco1)c1cccc(Br)c1 ZINC000872236566 662758822 /nfs/dbraw/zinc/75/88/22/662758822.db2.gz RRDPVNYLWUAFOT-RDJZCZTQSA-N 1 0 384.270 2.897 20 0 GFADRO COC[C@@H]([NH2+]C[C@H](O)COCc1ccco1)c1cccc(Br)c1 ZINC000872236564 662758843 /nfs/dbraw/zinc/75/88/43/662758843.db2.gz RRDPVNYLWUAFOT-DOTOQJQBSA-N 1 0 384.270 2.897 20 0 GFADRO CS(=O)(=O)c1ccc([C@H](O)C[NH2+]Cc2ccc(C(F)(F)F)s2)cc1 ZINC000872248814 662759245 /nfs/dbraw/zinc/75/92/45/662759245.db2.gz WTERGKVKLPKUKE-CYBMUJFWSA-N 1 0 379.425 2.994 20 0 GFADRO CC1(C)CC[NH2+]CCN1C(=O)c1cc(=O)c2cc(Br)ccc2[nH]1 ZINC000872295843 662759949 /nfs/dbraw/zinc/75/99/49/662759949.db2.gz ZGZCSGSKCCVKSB-UHFFFAOYSA-N 1 0 378.270 2.505 20 0 GFADRO CC1([NH+]2CCCCC2)CCN(c2ncc(I)cn2)CC1 ZINC000872666672 662784387 /nfs/dbraw/zinc/78/43/87/662784387.db2.gz XZUQYAUXENGLJE-UHFFFAOYSA-N 1 0 386.281 2.926 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(CN3CC(c4ccc(Br)cc4)=CC3=O)CC[C@H]21 ZINC000872722590 662786529 /nfs/dbraw/zinc/78/65/29/662786529.db2.gz FOVNECBJCCSSKS-CRAIPNDOSA-N 1 0 390.325 2.658 20 0 GFADRO C[N@@H+]1CC[C@H]2CN(Cn3nc4ccc(Br)cn4c3=S)CC[C@H]21 ZINC000872724631 662786544 /nfs/dbraw/zinc/78/65/44/662786544.db2.gz VVYKJWMPHXKXRV-WCQYABFASA-N 1 0 382.331 2.611 20 0 GFADRO Cc1nc(-c2ccc(Br)cc2)nn1CN1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000872724672 662786721 /nfs/dbraw/zinc/78/67/21/662786721.db2.gz XAZBHTRTYZINJD-WBVHZDCISA-N 1 0 390.329 3.000 20 0 GFADRO C[NH+](C)C1(CNCc2cccc(F)c2I)CCOCC1 ZINC000873049659 662797690 /nfs/dbraw/zinc/79/76/90/662797690.db2.gz DGMOXIVSHLRWPL-UHFFFAOYSA-N 1 0 392.256 2.631 20 0 GFADRO CSc1ccc(NC(=O)C(=O)N2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1Cl ZINC000873104744 662799987 /nfs/dbraw/zinc/79/99/87/662799987.db2.gz PKBUQWWHHDOZOS-WPRPVWTQSA-N 1 0 395.834 2.596 20 0 GFADRO CN(CCCCCC[NH3+])C(=O)C(=O)Nc1ccc(Cl)c(OC(F)F)c1 ZINC000873110387 662800160 /nfs/dbraw/zinc/80/01/60/662800160.db2.gz QXPYLUOYKXQYAJ-UHFFFAOYSA-N 1 0 377.819 2.857 20 0 GFADRO Cc1cc(NC(=O)C(=O)N(C)CCCCCC[NH3+])c(F)cc1Br ZINC000873111182 662800202 /nfs/dbraw/zinc/80/02/02/662800202.db2.gz HIYYOKRUCZAUIE-UHFFFAOYSA-N 1 0 388.281 2.813 20 0 GFADRO CC(=O)N1CCC[C@@H](C[NH2+]Cc2cccc(F)c2I)C1 ZINC000873118822 662800551 /nfs/dbraw/zinc/80/05/51/662800551.db2.gz UWPFRKBJNQAFCP-LBPRGKRZSA-N 1 0 390.240 2.778 20 0 GFADRO Brc1ccc(C2(C[NH2+]Cc3cn(C[C@H]4CCOC4)nn3)CC2)cc1 ZINC000873153930 662801916 /nfs/dbraw/zinc/80/19/16/662801916.db2.gz MJPOIUXFJIITQJ-CQSZACIVSA-N 1 0 391.313 2.899 20 0 GFADRO CN1CCC(CNC(=O)NCc2ncc(Cl)s2)([NH+]2CCCCC2)CC1 ZINC000873176762 662803105 /nfs/dbraw/zinc/80/31/05/662803105.db2.gz UXEGSZQLSKBSOP-UHFFFAOYSA-N 1 0 385.965 2.546 20 0 GFADRO COC(=O)c1ccc(N2CCN(Cc3cc4c(s3)CC[NH2+]C4)CC2)s1 ZINC000873212369 662803971 /nfs/dbraw/zinc/80/39/71/662803971.db2.gz ZSKDYOMNHNLTKJ-UHFFFAOYSA-N 1 0 377.535 2.564 20 0 GFADRO [NH3+]C[C@H]1CN(Cc2cn(-c3ccc(F)cc3Cl)nn2)C[C@H]1C(F)(F)F ZINC000873227548 662804166 /nfs/dbraw/zinc/80/41/66/662804166.db2.gz JDDLNZPEIPHQNM-JOYOIKCWSA-N 1 0 377.773 2.629 20 0 GFADRO COc1cc(NC(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)ccc1Br ZINC000873310694 662805155 /nfs/dbraw/zinc/80/51/55/662805155.db2.gz MSQBYZRHJBYXDC-CYBMUJFWSA-N 1 0 398.301 2.738 20 0 GFADRO O=C(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)Nc1cc(F)ccc1Br ZINC000873312603 662805168 /nfs/dbraw/zinc/80/51/68/662805168.db2.gz QZKRVSRXDSVTFU-LBPRGKRZSA-N 1 0 386.265 2.868 20 0 GFADRO COC(=O)c1cc(NC(=O)N[C@]23CCC[C@H]2[NH2+]CC3)c(C)cc1Br ZINC000873325498 662805577 /nfs/dbraw/zinc/80/55/77/662805577.db2.gz UKQHXWPVXMOZSY-PBHICJAKSA-N 1 0 396.285 2.950 20 0 GFADRO Cc1csc([C@H](NC(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)C(F)(F)F)n1 ZINC000873329548 662805672 /nfs/dbraw/zinc/80/56/72/662805672.db2.gz WWDCTOUAAVSGQM-HLTSFMKQSA-N 1 0 390.353 2.834 20 0 GFADRO Nc1cc(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)cc(Br)n1 ZINC000873811272 662814939 /nfs/dbraw/zinc/81/49/39/662814939.db2.gz DIIMWFNIVZNKEI-LBPRGKRZSA-N 1 0 379.258 2.586 20 0 GFADRO CCc1ccc(Br)c(NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000873831115 662815669 /nfs/dbraw/zinc/81/56/69/662815669.db2.gz SHWQFYFOMJQEGM-GXTWGEPZSA-N 1 0 396.329 2.891 20 0 GFADRO CCn1ncc(C(=O)Nc2cc(C[NH+](C)C)ccc2OC)c1Br ZINC000873990707 662820656 /nfs/dbraw/zinc/82/06/56/662820656.db2.gz CILPLVQJXHAXPN-UHFFFAOYSA-N 1 0 381.274 2.988 20 0 GFADRO CCn1ncc(C(=O)N(C)Cc2ccc(C[NH+](C)C)cc2)c1Br ZINC000874263613 662827034 /nfs/dbraw/zinc/82/70/34/662827034.db2.gz ACCZPJFLPYJTIP-UHFFFAOYSA-N 1 0 379.302 2.999 20 0 GFADRO C[N@@H+]1CCC[C@H]2[C@H]1CCN2C(=O)Cc1noc2ccc(Br)cc21 ZINC000874824984 662837277 /nfs/dbraw/zinc/83/72/77/662837277.db2.gz NGMGEVZQCPOCEW-CABCVRRESA-N 1 0 378.270 2.828 20 0 GFADRO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)c1cc(Br)cnc1OCC1CC1 ZINC000874830410 662837791 /nfs/dbraw/zinc/83/77/91/662837791.db2.gz SHNKKVRHZVNGAC-HOTGVXAUSA-N 1 0 394.313 2.942 20 0 GFADRO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)c1cc(F)ccc1I ZINC000874840741 662838190 /nfs/dbraw/zinc/83/81/90/662838190.db2.gz RBKCZGUSVODYAR-KBPBESRZSA-N 1 0 388.224 2.739 20 0 GFADRO COc1cc(C(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3C)cc(OC)c1Br ZINC000874849810 662838333 /nfs/dbraw/zinc/83/83/33/662838333.db2.gz YVKICXNZKRTVNE-STQMWFEESA-N 1 0 383.286 2.775 20 0 GFADRO COCCN(CC1CC[NH+](C)CC1)C(=O)NCc1ccccc1Br ZINC000875179205 662843090 /nfs/dbraw/zinc/84/30/90/662843090.db2.gz XHLVFIOFKXNSAH-UHFFFAOYSA-N 1 0 398.345 2.949 20 0 GFADRO Cc1cc(NC(=O)[C@@H]2CC[N@@H+](C)C[C@@H]2c2cnn(C)c2)ncc1Br ZINC000875416646 662845707 /nfs/dbraw/zinc/84/57/07/662845707.db2.gz AXRGBEGYFLVHPF-ZIAGYGMSSA-N 1 0 392.301 2.560 20 0 GFADRO CSC1(CNC(=O)N2CC[C@@H](C(F)(F)F)O[C@@H](C)C2)CC[NH+](C)CC1 ZINC000875597438 662848652 /nfs/dbraw/zinc/84/86/52/662848652.db2.gz JMOZEMXGZJBDRZ-STQMWFEESA-N 1 0 383.480 2.565 20 0 GFADRO CC(C)[NH+]1CCC(C(=O)Oc2ccc(Cl)cc2S(=O)(=O)N(C)C)CC1 ZINC000875621231 662849007 /nfs/dbraw/zinc/84/90/07/662849007.db2.gz JTPGYZXVSDNTKZ-UHFFFAOYSA-N 1 0 388.917 2.616 20 0 GFADRO COCCN(CC1CC[NH+](C)CC1)C(=O)NCC[C@@]1(C)CC1(Cl)Cl ZINC000875643495 662849443 /nfs/dbraw/zinc/84/94/43/662849443.db2.gz WXPDGTYXDPOVAF-INIZCTEOSA-N 1 0 380.360 2.960 20 0 GFADRO C[NH+]1CCC2(CCN(C(=O)NCc3ccc(Br)cn3)CC2)CC1 ZINC000876213407 662856594 /nfs/dbraw/zinc/85/65/94/662856594.db2.gz RYFKRZJOKDDAJT-UHFFFAOYSA-N 1 0 381.318 2.862 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)/C=C\[C@@H]1CCC[NH2+]C1 ZINC000876558291 662862825 /nfs/dbraw/zinc/86/28/25/662862825.db2.gz QJCPUGMKKZHOHS-PODYEWJSSA-N 1 0 394.313 2.710 20 0 GFADRO CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000876570110 662862903 /nfs/dbraw/zinc/86/29/03/662862903.db2.gz UACMDOPOGWEBEA-UFBFGSQYSA-N 1 0 380.222 2.620 20 0 GFADRO Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)NCCc1ccc(Br)cc1 ZINC000876580887 662863091 /nfs/dbraw/zinc/86/30/91/662863091.db2.gz TXWZPPUFCAHYEP-MRXNPFEDSA-N 1 0 391.313 2.851 20 0 GFADRO Cc1nc(C2CC[NH2+]CC2)sc1C(=O)Nc1ccc(Cl)c(C(N)=O)c1 ZINC000876581831 662863207 /nfs/dbraw/zinc/86/32/07/662863207.db2.gz DOCXPUCHAPJZSK-UHFFFAOYSA-N 1 0 378.885 2.923 20 0 GFADRO O=C(NC1(c2cccc(Br)c2)CCOCC1)[C@H](F)[C@@H]1CC[NH2+]C1 ZINC000876616326 662863528 /nfs/dbraw/zinc/86/35/28/662863528.db2.gz WGYAWDHQTTVDEK-IUODEOHRSA-N 1 0 385.277 2.519 20 0 GFADRO COc1ccc(I)c(NC(=O)CCC23CC(C2)C[NH2+]3)c1 ZINC000876626526 662863650 /nfs/dbraw/zinc/86/36/50/662863650.db2.gz BJTHNKAVSWKJLK-UHFFFAOYSA-N 1 0 386.233 2.771 20 0 GFADRO O=C(CCC12CC(C1)C[NH2+]2)Nc1ncn(Cc2cccc(Br)c2)n1 ZINC000876631168 662863771 /nfs/dbraw/zinc/86/37/71/662863771.db2.gz GJARTCMZOLSNMT-UHFFFAOYSA-N 1 0 390.285 2.560 20 0 GFADRO O=C(N1CCO[C@H](c2cccc(Br)c2)C1)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000876628699 662863786 /nfs/dbraw/zinc/86/37/86/662863786.db2.gz SMDQPTZCMWEQHQ-JZXOWHBKSA-N 1 0 379.298 2.881 20 0 GFADRO O=C(/C=C/[C@@H]1CCC[NH2+]C1)N1CCO[C@@H](c2cccc(Br)c2)C1 ZINC000876629357 662863791 /nfs/dbraw/zinc/86/37/91/662863791.db2.gz ZSSHKISJNMPKQE-PRDNVKDRSA-N 1 0 379.298 2.905 20 0 GFADRO C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)NCCC(=O)Nc1ccc(Br)cc1C ZINC000876633190 662863833 /nfs/dbraw/zinc/86/38/33/662863833.db2.gz OATDYSOYOWEGMN-SQLJOLKNSA-N 1 0 394.313 2.614 20 0 GFADRO [NH3+]C[C@@H]1[C@H](C(=O)NC[C@H](c2c(F)cccc2Cl)N2CCCC2)C1(F)F ZINC000876720655 662865393 /nfs/dbraw/zinc/86/53/93/662865393.db2.gz ANDRMIWTXLZHMO-WDBKCZKBSA-N 1 0 375.822 2.572 20 0 GFADRO CC[N@H+](C[C@H]1CCCCN(C(=O)OC(C)(C)C)C1)[C@H](C)CS(C)(=O)=O ZINC000876737106 662865609 /nfs/dbraw/zinc/86/56/09/662865609.db2.gz QPTPAXZCTLACFB-HZPDHXFCSA-N 1 0 376.563 2.779 20 0 GFADRO CC[N@H+](C[C@H]1CCCCN(C(=O)OC(C)(C)C)C1)[C@@H](C)CS(C)(=O)=O ZINC000876737107 662865648 /nfs/dbraw/zinc/86/56/48/662865648.db2.gz QPTPAXZCTLACFB-JKSUJKDBSA-N 1 0 376.563 2.779 20 0 GFADRO O=C(NCc1nc(-c2cccc(Br)c2)no1)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000876911045 662868004 /nfs/dbraw/zinc/86/80/04/662868004.db2.gz SVZYONOCKJVSPA-DYVFJYSZSA-N 1 0 391.269 2.648 20 0 GFADRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)c1c(F)ccc(I)c1Cl ZINC000876934280 662868386 /nfs/dbraw/zinc/86/83/86/662868386.db2.gz GGENLDDJJHMLGE-RNFRBKRXSA-N 1 0 384.620 2.939 20 0 GFADRO O=C(N1CCOC[C@H]1c1ccc(Br)cc1)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000876968618 662868877 /nfs/dbraw/zinc/86/88/77/662868877.db2.gz SDYIITPBHROLPA-JZXOWHBKSA-N 1 0 379.298 2.881 20 0 GFADRO Cn1ncc(C[NH3+])c1C(=O)N[C@@H]1CCCCc2cc(Br)ccc21 ZINC000876975801 662868984 /nfs/dbraw/zinc/86/89/84/662868984.db2.gz LDRVDZJCRBFZDL-OAHLLOKOSA-N 1 0 377.286 2.839 20 0 GFADRO CCO[P@](C)(=O)CC[C@@H](C)[NH2+]Cc1ccc(N(C)S(C)(=O)=O)cc1 ZINC000877009410 662869590 /nfs/dbraw/zinc/86/95/90/662869590.db2.gz ZWPVUOSGPYCTJU-FATZIPQQSA-N 1 0 376.459 2.895 20 0 GFADRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)c1c(C)c2cc(Br)ccc2oc1=O ZINC000877022112 662869833 /nfs/dbraw/zinc/86/98/33/662869833.db2.gz PFFUUBBDXACFPY-QWHCGFSZSA-N 1 0 379.254 2.734 20 0 GFADRO [NH3+][C@@H](C(=O)N1CCc2nc(C3CC3)ncc2C1)c1cccc(Br)c1 ZINC000877034224 662869971 /nfs/dbraw/zinc/86/99/71/662869971.db2.gz BSSJFCPSVUCRNK-MRXNPFEDSA-N 1 0 387.281 2.701 20 0 GFADRO CC(C)OC(=O)N1CCC([NH2+]Cc2cnn3cc(Br)cnc23)CC1 ZINC000877042577 662870069 /nfs/dbraw/zinc/87/00/69/662870069.db2.gz ZCVFHIRGHUFSEG-UHFFFAOYSA-N 1 0 396.289 2.591 20 0 GFADRO CCO[P@@](C)(=O)CC[C@H](C)[NH2+]CC1CCN(S(=O)(=O)C(F)F)CC1 ZINC000877039482 662870076 /nfs/dbraw/zinc/87/00/76/662870076.db2.gz LAMJGYKRXAOVEZ-DAOPMYJZSA-N 1 0 390.433 2.563 20 0 GFADRO C[C@H]1CC[C@H](NC(=O)c2c(F)ccc(I)c2Cl)C[NH2+]1 ZINC000877045946 662870200 /nfs/dbraw/zinc/87/02/00/662870200.db2.gz GZZGNQCDGUAQRQ-YUMQZZPRSA-N 1 0 396.631 2.954 20 0 GFADRO Cc1csc(C(=O)N2C3CCC2(C[NH3+])CC3)c1I ZINC000877186568 662872092 /nfs/dbraw/zinc/87/20/92/662872092.db2.gz QQZPQBYGLISHAT-UHFFFAOYSA-N 1 0 376.263 2.757 20 0 GFADRO O=C(c1cn(-c2ccc(Br)cc2)cn1)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000877276201 662872898 /nfs/dbraw/zinc/87/28/98/662872898.db2.gz DHVUUPYKLMYNRR-HOCLYGCPSA-N 1 0 375.270 2.601 20 0 GFADRO COCC[C@H](Cc1cccc(Br)c1)C(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000877277337 662873011 /nfs/dbraw/zinc/87/30/11/662873011.db2.gz GYJMHCAFYWKQLV-KBAYOESNSA-N 1 0 395.341 2.997 20 0 GFADRO O=C(NCc1cc(C(F)(F)F)cc(Cl)n1)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000877313222 662873349 /nfs/dbraw/zinc/87/33/49/662873349.db2.gz PCSMZAZBSZPFOR-NSHDSACASA-N 1 0 375.700 2.912 20 0 GFADRO CN[C@H](C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2)c1cccc(Cl)c1Cl ZINC000877329745 662873779 /nfs/dbraw/zinc/87/37/79/662873779.db2.gz XWCYFJIMPCVHKY-LRDDRELGSA-N 1 0 386.323 2.529 20 0 GFADRO Cc1c(Br)cccc1CC(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000877329202 662873789 /nfs/dbraw/zinc/87/37/89/662873789.db2.gz OXAIAOWAJZEABF-OAHLLOKOSA-N 1 0 381.314 2.575 20 0 GFADRO COc1ccc(Br)c(CC(=O)N2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1 ZINC000877359077 662874425 /nfs/dbraw/zinc/87/44/25/662874425.db2.gz QWWZJWKWGAOSOZ-JQWIXIFHSA-N 1 0 395.219 2.596 20 0 GFADRO COC(=O)CC[C@@H]1CCCN(C(=O)[C@H]([NH3+])c2cccc(Br)c2)C1 ZINC000877380353 662875101 /nfs/dbraw/zinc/87/51/01/662875101.db2.gz HXTCRAUQGCAUNW-BLLLJJGKSA-N 1 0 383.286 2.641 20 0 GFADRO O=C(COc1ccc(Br)cn1)N[C@H]1CCCCC12CC[NH2+]CC2 ZINC000877409636 662875651 /nfs/dbraw/zinc/87/56/51/662875651.db2.gz WXGFBZQTNMBWJM-AWEZNQCLSA-N 1 0 382.302 2.652 20 0 GFADRO CC(=O)N[C@@H](C(=O)N(C)CCCCCC[NH3+])c1cccc(Br)c1 ZINC000877435003 662875882 /nfs/dbraw/zinc/87/58/82/662875882.db2.gz MJLCASSKPDOORH-MRXNPFEDSA-N 1 0 384.318 2.604 20 0 GFADRO NS(=O)(=O)c1cccc(C[NH2+][C@@H](c2cncc(Br)c2)C2CC2)c1 ZINC000877508578 662877433 /nfs/dbraw/zinc/87/74/33/662877433.db2.gz ZVOXCZUGCVNBOP-MRXNPFEDSA-N 1 0 396.310 2.732 20 0 GFADRO C[C@]1(C[C@@H]2CCC[N@@H+]2Cc2cc3nc(Cl)ccc3s2)NC(=O)NC1=O ZINC000877518961 662877779 /nfs/dbraw/zinc/87/77/79/662877779.db2.gz VRYRYFAPGJPKIG-DYZYQPBXSA-N 1 0 378.885 2.902 20 0 GFADRO COC(=O)c1ccc(C[NH2+]CC2CCN(C(=O)OC)CC2)cc1Br ZINC000877518099 662877846 /nfs/dbraw/zinc/87/78/46/662877846.db2.gz FJSNDKQKLDVAQH-UHFFFAOYSA-N 1 0 399.285 2.804 20 0 GFADRO CCO[P@@](C)(=O)CC[C@@H](C)[NH2+]Cc1nn(C)cc1I ZINC000877573881 662879162 /nfs/dbraw/zinc/87/91/62/662879162.db2.gz WPMUBEZAAKYVNN-GIGQVBGESA-N 1 0 399.213 2.837 20 0 GFADRO CC(C)[C@H]([NH2+]Cc1cccc(S(N)(=O)=O)c1)[C@@H](O)c1ccc(Cl)cc1 ZINC000877639481 662880448 /nfs/dbraw/zinc/88/04/48/662880448.db2.gz LKNVFUOQLLYMAN-ROUUACIJSA-N 1 0 382.913 2.835 20 0 GFADRO CN1CC[NH+](C2CCN(Cc3cccc(I)c3)CC2)CC1 ZINC000877746119 662882794 /nfs/dbraw/zinc/88/27/94/662882794.db2.gz IFXWRHZPIBDZTC-UHFFFAOYSA-N 1 0 399.320 2.503 20 0 GFADRO COC[C@@H]([NH2+]CC1CCS(=O)(=O)CC1)c1cccc(Br)c1 ZINC000877759202 662883033 /nfs/dbraw/zinc/88/30/33/662883033.db2.gz YKCDVTFKASGTLM-OAHLLOKOSA-N 1 0 376.316 2.551 20 0 GFADRO Cc1c(Br)cc(CN2C[C@H](CO)[C@H](CO)C2)cc1Br ZINC000877764438 662883208 /nfs/dbraw/zinc/88/32/08/662883208.db2.gz CBEOIVXLGMDJHS-TXEJJXNPSA-N 1 0 393.119 2.553 20 0 GFADRO CN(CC[NH+]1CC2(C1)CCOCC2)Cc1cc2c(c(Br)c1)OCO2 ZINC000877765442 662883221 /nfs/dbraw/zinc/88/32/21/662883221.db2.gz IHIUZURXCAVCGE-UHFFFAOYSA-N 1 0 397.313 2.722 20 0 GFADRO COCCCNC(=O)C1CC[NH+](C[C@@H](O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000877986926 662887631 /nfs/dbraw/zinc/88/76/31/662887631.db2.gz VOQKYOQUPJIWNA-QGZVFWFLSA-N 1 0 389.323 2.892 20 0 GFADRO COC(=O)CC[N@@H+](Cc1ccccc1)C[C@H](O)c1cc(Br)no1 ZINC000878029916 662888575 /nfs/dbraw/zinc/88/85/75/662888575.db2.gz RVOIQHROXPYNPV-ZDUSSCGKSA-N 1 0 383.242 2.536 20 0 GFADRO O[C@@H](C[C@H](O)c1ccccc1)C[NH+]1CCC(n2cc(Br)cn2)CC1 ZINC000878091747 662889755 /nfs/dbraw/zinc/88/97/55/662889755.db2.gz IWEUNHIEUYJPRA-ROUUACIJSA-N 1 0 394.313 2.767 20 0 GFADRO CC[NH+](CC)Cc1cccc(CNC(=O)Cc2c(Br)cnn2C)c1 ZINC000878291670 662893240 /nfs/dbraw/zinc/89/32/40/662893240.db2.gz MQSPSDUZONYUCX-UHFFFAOYSA-N 1 0 393.329 2.883 20 0 GFADRO OCC[N@@H+](Cc1cc(Br)cs1)C[C@H](O)CC1(CO)CCCC1 ZINC000878509959 662897813 /nfs/dbraw/zinc/89/78/13/662897813.db2.gz ZHNCPHNFNJOOCK-CQSZACIVSA-N 1 0 392.359 2.609 20 0 GFADRO Cc1noc(C[C@@H]([NH2+]C[C@@H](O)c2cc(Br)no2)c2ccccc2)n1 ZINC000878511855 662897817 /nfs/dbraw/zinc/89/78/17/662897817.db2.gz HWQYRZBIRBTLGU-CHWSQXEVSA-N 1 0 393.241 2.736 20 0 GFADRO O[C@H](CN1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1)c1cc(Br)no1 ZINC000878536157 662898438 /nfs/dbraw/zinc/89/84/38/662898438.db2.gz OCXNCDOWFPGFKE-OWCLPIDISA-N 1 0 392.297 2.534 20 0 GFADRO CC(=O)N[C@@H](C(=O)N1CCC[C@H]([NH2+]C(C)C)C1)c1cccc(Br)c1 ZINC000878578193 662899319 /nfs/dbraw/zinc/89/93/19/662899319.db2.gz RVIQJWJIQUDCNC-DLBZAZTESA-N 1 0 396.329 2.615 20 0 GFADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)c1cc(Br)ccc1C1CC1 ZINC000878761276 662904514 /nfs/dbraw/zinc/90/45/14/662904514.db2.gz PCDYRTSLYBUQLV-CYBMUJFWSA-N 1 0 380.330 2.692 20 0 GFADRO OCC1(C[C@@H](O)C[N@@H+]2CC[C@H](Oc3cncc(Br)c3)C2)CCCC1 ZINC000878876845 662908014 /nfs/dbraw/zinc/90/80/14/662908014.db2.gz VWABRIOEVJJOKP-CVEARBPZSA-N 1 0 399.329 2.601 20 0 GFADRO CC1CC[NH+](C2CCC(NC(=O)Cc3c(Br)cnn3C)CC2)CC1 ZINC000879276090 662922185 /nfs/dbraw/zinc/92/21/85/662922185.db2.gz HDIIEDQZCOHIPU-UHFFFAOYSA-N 1 0 397.361 2.884 20 0 GFADRO Cc1nccc(NC(=O)N2CCN(c3cc[nH+]cc3)[C@@H](C)C2)c1Br ZINC000879315810 662923151 /nfs/dbraw/zinc/92/31/51/662923151.db2.gz IWUVFUGVPMNBNL-LBPRGKRZSA-N 1 0 390.285 2.712 20 0 GFADRO CSc1cc(C(=O)NC[C@@](C)(O)CC[NH+](C)C)ccc1Br ZINC000879543635 662928717 /nfs/dbraw/zinc/92/87/17/662928717.db2.gz RAYURWHSIIKKPD-HNNXBMFYSA-N 1 0 375.332 2.604 20 0 GFADRO CN1CC[NH+](C2CCN(Cc3nc4cc(Br)ccc4[nH]3)CC2)CC1 ZINC000879596441 662930201 /nfs/dbraw/zinc/93/02/01/662930201.db2.gz LMYMKEZTPAEIKN-UHFFFAOYSA-N 1 0 392.345 2.537 20 0 GFADRO C[C@H](NC(=O)Nc1cc(Br)nn1C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000879643165 662932840 /nfs/dbraw/zinc/93/28/40/662932840.db2.gz FLQBFQZYOQQPGT-RYUDHWBXSA-N 1 0 384.322 2.957 20 0 GFADRO C[C@H]1C[C@@H](NC(=O)Nc2cn(C)nc2Br)C[N@@H+]1Cc1ccccc1 ZINC000880049500 662947419 /nfs/dbraw/zinc/94/74/19/662947419.db2.gz SIQRSTKNWJEWAQ-GXTWGEPZSA-N 1 0 392.301 2.967 20 0 GFADRO CN(C(=O)Nc1cn(C)nc1Br)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000880054120 662948133 /nfs/dbraw/zinc/94/81/33/662948133.db2.gz YNYXJZGNIYRWPU-CQSZACIVSA-N 1 0 392.301 2.921 20 0 GFADRO OC[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1cc(Br)cc2cccnc21 ZINC000880072351 662950318 /nfs/dbraw/zinc/95/03/18/662950318.db2.gz UJSWBESSVZQRFI-DLBZAZTESA-N 1 0 376.298 2.638 20 0 GFADRO Cn1c(Cl)cnc1-c1csc(NC(=O)N2CC[C@H]3[C@H](CC[N@@H+]3C)C2)n1 ZINC000880077402 662950500 /nfs/dbraw/zinc/95/05/00/662950500.db2.gz VJASTSPBLDKDTN-PWSUYJOCSA-N 1 0 380.905 2.755 20 0 GFADRO C[NH+](C)[C@]1(CNC(=O)Nc2ccc(C(=O)C(F)(F)F)cc2)CCSC1 ZINC000880432062 662960121 /nfs/dbraw/zinc/96/01/21/662960121.db2.gz KHAULZFTAJIDKP-HNNXBMFYSA-N 1 0 375.416 2.990 20 0 GFADRO CC[C@H]([NH2+]Cc1cc(=O)n2cc(Br)ccc2n1)[C@H]1CCCOC1 ZINC000880470391 662960579 /nfs/dbraw/zinc/96/05/79/662960579.db2.gz ZRUBOEZATFUJQU-WFASDCNBSA-N 1 0 380.286 2.752 20 0 GFADRO O[C@H](COc1cc(Cl)ccc1Cl)C[NH+]1CCC2(CC1)COCCO2 ZINC000880540898 662962130 /nfs/dbraw/zinc/96/21/30/662962130.db2.gz QIJGRSSKSUOSFW-AWEZNQCLSA-N 1 0 376.280 2.615 20 0 GFADRO CC(C)(C)S(=O)(=O)CCC[NH2+][C@H](Cc1ccccc1)[C@H](O)C(F)(F)F ZINC000880599946 662963903 /nfs/dbraw/zinc/96/39/03/662963903.db2.gz DNAAXMILWOXSJS-CABCVRRESA-N 1 0 381.460 2.714 20 0 GFADRO CN(C)Cc1cc(NC(=O)NC[C@H](O)c2ccccc2Br)ccn1 ZINC000880614397 662964075 /nfs/dbraw/zinc/96/40/75/662964075.db2.gz VCKQYSVFDGVOIW-INIZCTEOSA-N 1 0 393.285 2.761 20 0 GFADRO COC(=O)c1ccc(Br)cc1Cn1cc([C@@H]([NH3+])C(C)(C)C)nn1 ZINC000881339801 662990294 /nfs/dbraw/zinc/99/02/94/662990294.db2.gz NGOGNCXVXREMCV-CQSZACIVSA-N 1 0 381.274 2.921 20 0 GFADRO O=S(=O)(NC1CC[NH+](CC2CC2)CC1)c1cnc(Cl)cc1C(F)(F)F ZINC000881799139 663003734 /nfs/dbraw/zinc/00/37/34/663003734.db2.gz ZSJIDZKUXYMGMO-UHFFFAOYSA-N 1 0 397.850 2.907 20 0 GFADRO C[NH+](C)CCN(Cc1cccs1)c1ccc2nnc(Br)n2n1 ZINC000882086430 663016234 /nfs/dbraw/zinc/01/62/34/663016234.db2.gz LIOOVXKVHVPMTL-UHFFFAOYSA-N 1 0 381.303 2.517 20 0 GFADRO C[N@@H+]1CCC[C@@]2(CCN(S(=O)(=O)c3cnc(Cl)cc3C(F)(F)F)C2)C1 ZINC000882221767 663021154 /nfs/dbraw/zinc/02/11/54/663021154.db2.gz QSEURZVCSJBDDT-CQSZACIVSA-N 1 0 397.850 2.860 20 0 GFADRO C[NH+](C)C[C@H]1CCCCN1S(=O)(=O)c1cnc(Cl)cc1C(F)(F)F ZINC000882412996 663027026 /nfs/dbraw/zinc/02/70/26/663027026.db2.gz YVEVFJRDZUTMKV-SNVBAGLBSA-N 1 0 385.839 2.859 20 0 GFADRO C[C@@H](C[NH+](C)C)[C@H]1CCCCN1S(=O)(=O)c1c(Cl)nc2sccn21 ZINC000882431107 663027519 /nfs/dbraw/zinc/02/75/19/663027519.db2.gz IVXZEPVRANVFHL-NWDGAFQWSA-N 1 0 390.962 2.790 20 0 GFADRO CN(CCCC[NH+]1CCCCC1)C(=O)CS(=O)(=O)c1ccc(Cl)cc1 ZINC000882624573 663033935 /nfs/dbraw/zinc/03/39/35/663033935.db2.gz YAQUPGBPBDZMEX-UHFFFAOYSA-N 1 0 386.945 2.838 20 0 GFADRO CN(C[C@@H]1CCCC[N@@H+]1Cc1ccccc1)S(=O)(=O)c1c[nH]c(=O)s1 ZINC000882679940 663036383 /nfs/dbraw/zinc/03/63/83/663036383.db2.gz GGLOUOOAZYQEIO-HNNXBMFYSA-N 1 0 381.523 2.524 20 0 GFADRO CC1([NH+]2CCC2)CCN(S(=O)(=O)c2ccc(F)cc2Br)CC1 ZINC000882769035 663041310 /nfs/dbraw/zinc/04/13/10/663041310.db2.gz FDOOWOCSWFYPIF-UHFFFAOYSA-N 1 0 391.306 2.837 20 0 GFADRO Clc1nc2sccc2c(N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)n1 ZINC000882986540 663046059 /nfs/dbraw/zinc/04/60/59/663046059.db2.gz BKPRGPRRFLSITB-CYBMUJFWSA-N 1 0 381.933 2.553 20 0 GFADRO COC[C@@H]([NH2+]CCCNC(=O)c1cccc(Br)c1)[C@@H]1CCCOC1 ZINC000883184241 663051045 /nfs/dbraw/zinc/05/10/45/663051045.db2.gz RYPAFHGRYKHGIC-NVXWUHKLSA-N 1 0 399.329 2.600 20 0 GFADRO C[C@H]([NH2+]CC1(S(=O)(=O)NC(C)(C)C)CC1)c1ccc(Br)nc1 ZINC000883301358 663053147 /nfs/dbraw/zinc/05/31/47/663053147.db2.gz XWRFCCFASXBDKW-NSHDSACASA-N 1 0 390.347 2.745 20 0 GFADRO Cc1nn(-c2ccccn2)c(Cl)c1C[NH2+]C[C@@H](O)C(F)(F)C(F)(F)F ZINC000883367026 663054108 /nfs/dbraw/zinc/05/41/08/663054108.db2.gz GETWJZQXRVUSSS-SNVBAGLBSA-N 1 0 384.736 2.877 20 0 GFADRO CCOc1cc(C[NH2+][C@H]2C[C@H](S(C)(=O)=O)C2)ccc1OCC(F)(F)F ZINC000883379137 663054450 /nfs/dbraw/zinc/05/44/50/663054450.db2.gz OVMLCEBAMWVEFW-JOCQHMNTSA-N 1 0 381.416 2.692 20 0 GFADRO O=C1Nc2ccc(Br)cc2CC[C@H]1[NH2+]Cc1cnn(CC(F)F)c1 ZINC000883386695 663054518 /nfs/dbraw/zinc/05/45/18/663054518.db2.gz LKGNNQTWBFYEPZ-CQSZACIVSA-N 1 0 399.239 2.954 20 0 GFADRO O=C1Nc2ccc(Br)cc2CC[C@@H]1[NH2+]Cc1cnc2n1CCC2 ZINC000883386249 663054564 /nfs/dbraw/zinc/05/45/64/663054564.db2.gz CFTUZVHCUWFMQN-HNNXBMFYSA-N 1 0 375.270 2.635 20 0 GFADRO [NH3+]CCCN(CC(F)(F)F)S(=O)(=O)c1csc(-c2ccccc2)n1 ZINC000883470061 663055532 /nfs/dbraw/zinc/05/55/32/663055532.db2.gz KPZLEYXVGJVLID-UHFFFAOYSA-N 1 0 379.429 2.712 20 0 GFADRO Cc1cc(Br)c(Cl)cc1S(=O)(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000883466605 663055570 /nfs/dbraw/zinc/05/55/70/663055570.db2.gz RBWIMRRBHRDYDG-JOYOIKCWSA-N 1 0 381.723 2.769 20 0 GFADRO [NH3+]CCN(CC(F)(F)F)S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000883472188 663055638 /nfs/dbraw/zinc/05/56/38/663055638.db2.gz SJYGKUCQUOLJLF-UHFFFAOYSA-N 1 0 384.729 2.871 20 0 GFADRO C[NH2+]C[C@H]1CCCCN1C(=O)Nc1ccc(S(C)(=O)=O)c(C(F)F)c1 ZINC000883552724 663057022 /nfs/dbraw/zinc/05/70/22/663057022.db2.gz ZJBKQSVJLGNOCP-GFCCVEGCSA-N 1 0 375.441 2.634 20 0 GFADRO CC(C)[C@H]([NH3+])CCN(C)C(=O)Nc1cc(Br)cc2c1NC(=O)CO2 ZINC000883592709 663057440 /nfs/dbraw/zinc/05/74/40/663057440.db2.gz PXRJNCWUJRLUHU-LLVKDONJSA-N 1 0 399.289 2.617 20 0 GFADRO CCC1([NH3+])CCN(C(=O)C(=O)Nc2cc(Cl)cc(Br)c2)CC1 ZINC000883627244 663058229 /nfs/dbraw/zinc/05/82/29/663058229.db2.gz VRNKIZWDTZXARD-UHFFFAOYSA-N 1 0 388.693 2.771 20 0 GFADRO C[C@@]1(CCNC(=O)N2CCC([NH2+]C3CCOCC3)CC2)CC1(Cl)Cl ZINC000883729553 663059835 /nfs/dbraw/zinc/05/98/35/663059835.db2.gz VGNJCUBVQDXVDJ-MRXNPFEDSA-N 1 0 378.344 2.903 20 0 GFADRO CC1(C)C[NH2+]CCN1C(=O)c1cc(Br)nn1-c1ncccc1Cl ZINC000884037685 663064075 /nfs/dbraw/zinc/06/40/75/663064075.db2.gz JTSOQBNYMIRQSX-UHFFFAOYSA-N 1 0 398.692 2.507 20 0 GFADRO COCC[C@H]([NH3+])C(=O)Nc1ncc(Cc2ccc(Br)cc2)s1 ZINC000884063835 663064441 /nfs/dbraw/zinc/06/44/41/663064441.db2.gz NSZRUNLKFMPJEQ-ZDUSSCGKSA-N 1 0 384.299 2.799 20 0 GFADRO [NH3+][C@H](CC1CC1)C(=O)N1CCC(C(=O)Nc2cccc(Br)c2)CC1 ZINC000884115418 663065538 /nfs/dbraw/zinc/06/55/38/663065538.db2.gz QYXSKSHIPGGQJA-MRXNPFEDSA-N 1 0 394.313 2.754 20 0 GFADRO [NH3+][C@H](C(=O)NC[C@@H](CCO)c1ccccc1)c1ccc(Br)cc1 ZINC000884139749 663065894 /nfs/dbraw/zinc/06/58/94/663065894.db2.gz AMVJQKWAWBPTLJ-WBVHZDCISA-N 1 0 377.282 2.731 20 0 GFADRO CCO[C@H](C)c1noc(CN(C)C(=O)[C@H]([NH3+])c2ccc(Br)cc2)n1 ZINC000884160783 663066324 /nfs/dbraw/zinc/06/63/24/663066324.db2.gz OBGOAPHDYVXFHM-QMTHXVAHSA-N 1 0 397.273 2.588 20 0 GFADRO CC1(C)C[NH2+]C[C@H]1C(=O)NC[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000884200554 663066881 /nfs/dbraw/zinc/06/68/81/663066881.db2.gz FJPPPCFLIXXESQ-CJNGLKHVSA-N 1 0 380.330 2.637 20 0 GFADRO [NH3+][C@H](C(=O)NCc1nnc(C2CC2)n1C1CC1)c1ccc(Br)cc1 ZINC000884332056 663069189 /nfs/dbraw/zinc/06/91/89/663069189.db2.gz DIIWNLUHPYXMJT-HNNXBMFYSA-N 1 0 390.285 2.569 20 0 GFADRO COC(=O)C(C)(C)[C@@H]1CCCN(C(=O)[C@@H]([NH3+])c2ccc(Br)cc2)C1 ZINC000884379169 663069906 /nfs/dbraw/zinc/06/99/06/663069906.db2.gz PNVCAQYUDJTSJQ-HIFRSBDPSA-N 1 0 397.313 2.887 20 0 GFADRO [NH3+][C@@H](C(=O)N1CCc2nc(C3CC3)ncc2C1)c1ccc(Br)cc1 ZINC000884436944 663070753 /nfs/dbraw/zinc/07/07/53/663070753.db2.gz SJNRGRGTBYMEGE-MRXNPFEDSA-N 1 0 387.281 2.701 20 0 GFADRO O=C(CCc1ccccc1Br)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000885862917 663099432 /nfs/dbraw/zinc/09/94/32/663099432.db2.gz LEDYYEGEJZWDLS-MRXNPFEDSA-N 1 0 381.314 2.751 20 0 GFADRO O=C(NC[C@H]1CC[N@@H+]1C1CCOCC1)c1cc(Br)cnc1C1CC1 ZINC000885895418 663100676 /nfs/dbraw/zinc/10/06/76/663100676.db2.gz FSJLUPSJPSJCRV-OAHLLOKOSA-N 1 0 394.313 2.705 20 0 GFADRO Cc1cc(OCC(=O)NC[C@@H]2CC[N@@H+]2C2CCOCC2)ccc1Br ZINC000885895284 663100717 /nfs/dbraw/zinc/10/07/17/663100717.db2.gz DABAWVZVARYULV-HNNXBMFYSA-N 1 0 397.313 2.506 20 0 GFADRO O=C(Cc1ccc(Br)cc1F)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000885890525 663100729 /nfs/dbraw/zinc/10/07/29/663100729.db2.gz GARDBRSWAUHFDS-OAHLLOKOSA-N 1 0 385.277 2.500 20 0 GFADRO OC[C@@H]([NH2+][C@H]1CCOC2(CCOCC2)C1)c1ccc(Br)c(F)c1 ZINC000886125151 663103654 /nfs/dbraw/zinc/10/36/54/663103654.db2.gz KFLXJHAYCWKRBG-XJKSGUPXSA-N 1 0 388.277 2.939 20 0 GFADRO Cn1ncc(I)c1C[NH2+][C@H]1CCOC2(CCCCC2)C1 ZINC000886181884 663104388 /nfs/dbraw/zinc/10/43/88/663104388.db2.gz WBMWONGCURYXMJ-LBPRGKRZSA-N 1 0 389.281 2.996 20 0 GFADRO CC(C)(C)OC(=O)N1CC[C@@H](N2CCN(CCSC(F)(F)F)CC2)C1 ZINC000886207974 663104850 /nfs/dbraw/zinc/10/48/50/663104850.db2.gz QVQOKPRCXCBWHZ-CYBMUJFWSA-N 1 0 383.480 2.866 20 0 GFADRO OC[C@H](C[C@@H]1CCCO1)[NH2+]Cc1c[nH]nc1-c1ccc(Br)s1 ZINC000886220498 663105188 /nfs/dbraw/zinc/10/51/88/663105188.db2.gz JFDAVAWQARPPEJ-RYUDHWBXSA-N 1 0 386.315 2.920 20 0 GFADRO CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]C[C@@H](O)Cc1ccccc1F ZINC000886233919 663105460 /nfs/dbraw/zinc/10/54/60/663105460.db2.gz BGPDZSMURSOTOL-HNNXBMFYSA-N 1 0 385.888 2.966 20 0 GFADRO Cn1ccn2c(CC[NH2+]Cc3c(Cl)ccc(Cl)c3Cl)nnc2c1=O ZINC000886285495 663106958 /nfs/dbraw/zinc/10/69/58/663106958.db2.gz KQOCWNBYCQGZJZ-UHFFFAOYSA-N 1 0 386.670 2.721 20 0 GFADRO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@H](CO)C[C@H]1CCCO1 ZINC000886666422 663115312 /nfs/dbraw/zinc/11/53/12/663115312.db2.gz SLKXPIAIFLKMKU-UHOFOFEASA-N 1 0 385.302 2.686 20 0 GFADRO Cc1cc(Br)ccc1CS(=O)(=O)N1CCC(CC[NH3+])CC1 ZINC000886888322 663123538 /nfs/dbraw/zinc/12/35/38/663123538.db2.gz ZUXOYKMBOAPGMV-UHFFFAOYSA-N 1 0 375.332 2.648 20 0 GFADRO O=S(=O)(/C=C/c1ccc(Br)cc1)NC[C@H]1C[NH2+]CCC1(F)F ZINC000886896279 663123930 /nfs/dbraw/zinc/12/39/30/663123930.db2.gz DQNMNKFWPXRZHQ-FZKGZDJFSA-N 1 0 395.269 2.584 20 0 GFADRO CC(C)CCOc1ccc(S(=O)(=O)NC[C@H]2C[NH2+]CCC2(F)F)cc1 ZINC000886896276 663123986 /nfs/dbraw/zinc/12/39/86/663123986.db2.gz DMYBYYJDISNJCX-CQSZACIVSA-N 1 0 376.469 2.635 20 0 GFADRO COC[C@@H]([NH2+]CCC(=O)Nc1ccccc1Br)[C@@H]1CCCOC1 ZINC000886912642 663124821 /nfs/dbraw/zinc/12/48/21/663124821.db2.gz ZLFGBMSKBMBYLI-CZUORRHYSA-N 1 0 385.302 2.809 20 0 GFADRO CC1([NH3+])CCN(C(=O)C(=O)Nc2cc(Br)c3ccccc3c2)CC1 ZINC000886983651 663127349 /nfs/dbraw/zinc/12/73/49/663127349.db2.gz FFIRTTVIODGYDF-UHFFFAOYSA-N 1 0 390.281 2.881 20 0 GFADRO C[C@@H]1Cc2cc(-c3csc([C@H]4CCC[NH2+]C4)n3)ccc2N1S(C)(=O)=O ZINC000887275430 663140504 /nfs/dbraw/zinc/14/05/04/663140504.db2.gz FRDSNMFDQHYLQF-OCCSQVGLSA-N 1 0 377.535 2.988 20 0 GFADRO C[C@H](Cc1nc(-c2cn(C3CC[NH2+]CC3)nn2)cs1)n1cc(Cl)cn1 ZINC000887447252 663146813 /nfs/dbraw/zinc/14/68/13/663146813.db2.gz XOAOWIWUCMMPRM-LLVKDONJSA-N 1 0 377.905 2.980 20 0 GFADRO Cc1csc(Sc2ccc(NC(=O)NCC[N@H+](C)CCO)c(C)c2)n1 ZINC000887718182 663159141 /nfs/dbraw/zinc/15/91/41/663159141.db2.gz UDUDFJYPDQSDPO-UHFFFAOYSA-N 1 0 380.539 2.957 20 0 GFADRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)COCCc1ccc(Br)cc1 ZINC000889158788 663233928 /nfs/dbraw/zinc/23/39/28/663233928.db2.gz SMUIUAXBUUZBPX-PBHICJAKSA-N 1 0 383.330 2.807 20 0 GFADRO Cn1nc(C(F)(F)F)c(NC(=O)N2CCC([NH+]3CC=CC3)CC2)c1Cl ZINC000889198527 663235536 /nfs/dbraw/zinc/23/55/36/663235536.db2.gz SIUXTEJYLWOUAF-UHFFFAOYSA-N 1 0 377.798 2.960 20 0 GFADRO CS[C@@H]1CN(C(=O)Nc2c(Cl)n(C)nc2C(F)(F)F)C[C@H]1[NH+](C)C ZINC000889199406 663235555 /nfs/dbraw/zinc/23/55/55/663235555.db2.gz CZPQQIKLQZQCQP-HTQZYQBOSA-N 1 0 385.843 2.602 20 0 GFADRO O=C(c1nn2c(c1Br)CCC2)N1CC[NH+](C2CCCCC2)CC1 ZINC000889567845 663250236 /nfs/dbraw/zinc/25/02/36/663250236.db2.gz FHNTVGAIIWJPLA-UHFFFAOYSA-N 1 0 381.318 2.682 20 0 GFADRO O=C(NCc1ncc(Br)cn1)[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000889713936 663257946 /nfs/dbraw/zinc/25/79/46/663257946.db2.gz DIPOFYBWBSRVSG-MRXNPFEDSA-N 1 0 389.297 2.735 20 0 GFADRO Cc1cc(Br)cc(C(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)c1C ZINC000889747830 663262306 /nfs/dbraw/zinc/26/23/06/663262306.db2.gz BQRQGGVGHFUFSX-IAGOWNOFSA-N 1 0 381.314 2.737 20 0 GFADRO O=C(c1cccc(Br)c1Cl)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000889763933 663264821 /nfs/dbraw/zinc/26/48/21/663264821.db2.gz VJGYDWWRZKHBKU-KGLIPLIRSA-N 1 0 387.705 2.774 20 0 GFADRO CN(CC[NH+](C)C)C(=O)C(=O)Nc1cc(Br)c2ccccc2c1 ZINC000890058560 663283186 /nfs/dbraw/zinc/28/31/86/663283186.db2.gz ZUAXYRFLJNZGQO-UHFFFAOYSA-N 1 0 378.270 2.561 20 0 GFADRO C[NH+](C)CCCCC(=O)N1CCn2c(c(Br)nc2C(F)(F)F)C1 ZINC000890202617 663289508 /nfs/dbraw/zinc/28/95/08/663289508.db2.gz JXALTZIPBAXQJY-UHFFFAOYSA-N 1 0 397.239 2.739 20 0 GFADRO CC[NH+]1CCN(CCC(=O)NCc2ccccc2SC(F)(F)F)CC1 ZINC000890855841 663314810 /nfs/dbraw/zinc/31/48/10/663314810.db2.gz CGLHBQNYPZCZSJ-UHFFFAOYSA-N 1 0 375.460 2.942 20 0 GFADRO CN(CC(C)(C)C[NH+](C)C)C(=O)c1c2ccc(Br)cc2nn1C ZINC000890879601 663315817 /nfs/dbraw/zinc/31/58/17/663315817.db2.gz AKJQNPSXGYPFBV-UHFFFAOYSA-N 1 0 381.318 2.996 20 0 GFADRO CCN(C(=O)N[C@H](C)c1cc2c(cc1Br)OCCO2)[C@H]1CC[NH2+]C1 ZINC000891393543 663338061 /nfs/dbraw/zinc/33/80/61/663338061.db2.gz AANJAMPIZYKTIA-NEPJUHHUSA-N 1 0 398.301 2.675 20 0 GFADRO COCCC1(NC(=O)N[C@@H](C)c2ccc(Br)cc2)CC[NH2+]CC1 ZINC000891448237 663339790 /nfs/dbraw/zinc/33/97/90/663339790.db2.gz HKWZVFJGNIQORA-ZDUSSCGKSA-N 1 0 384.318 2.968 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)NCCc2ccccc2Br)C[C@H]1C(F)(F)F ZINC000891461368 663340226 /nfs/dbraw/zinc/34/02/26/663340226.db2.gz VTFHKIRGWNDECU-VXGBXAGGSA-N 1 0 394.235 2.770 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)NCCC(C)(C)[NH3+] ZINC000891479797 663340720 /nfs/dbraw/zinc/34/07/20/663340720.db2.gz AZCFNSGHUCVXAY-UHFFFAOYSA-N 1 0 385.306 2.513 20 0 GFADRO COc1ccc(CNC(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1Br ZINC000891484705 663341091 /nfs/dbraw/zinc/34/10/91/663341091.db2.gz WRUTXESAWUHLSG-BTTYYORXSA-N 1 0 382.302 2.788 20 0 GFADRO C[C@]1(Br)C[C@@H]1C[NH+]1CCN(Cc2nc3ccccc3c(=O)[nH]2)CC1 ZINC000891543447 663343313 /nfs/dbraw/zinc/34/33/13/663343313.db2.gz QYFFHQZQWVHVOB-ACJLOTCBSA-N 1 0 391.313 2.627 20 0 GFADRO C[C@H](NC(=O)N1C[C@@H]([NH3+])C[C@H]1C)c1nc(-c2ccc(Br)cc2)no1 ZINC000891680043 663346933 /nfs/dbraw/zinc/34/69/33/663346933.db2.gz CKAOWOFYQVLSDM-NRUUGDAUSA-N 1 0 394.273 2.691 20 0 GFADRO C[C@H]1C[C@@H]([NH3+])CN1C(=O)NCCCOc1ncc(C(F)(F)F)cc1Cl ZINC000891721021 663348666 /nfs/dbraw/zinc/34/86/66/663348666.db2.gz QTQQKTBMBMVOLN-GXSJLCMTSA-N 1 0 380.798 2.654 20 0 GFADRO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)NCCCOc1ncc(C(F)(F)F)cc1Cl ZINC000891721023 663348741 /nfs/dbraw/zinc/34/87/41/663348741.db2.gz QTQQKTBMBMVOLN-MWLCHTKSSA-N 1 0 380.798 2.654 20 0 GFADRO CCOC(=O)c1ncc(Br)c(NC[C@@H](c2ccsc2)[NH+](C)C)n1 ZINC000891728566 663348928 /nfs/dbraw/zinc/34/89/28/663348928.db2.gz LZYNFVAEBIBSLE-LBPRGKRZSA-N 1 0 399.314 2.614 20 0 GFADRO COCCCN(C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(Br)cn1 ZINC000891760188 663349708 /nfs/dbraw/zinc/34/97/08/663349708.db2.gz REVAHNZEXRWWGT-KBPBESRZSA-N 1 0 384.318 2.944 20 0 GFADRO O=C(NCc1cc2cc(Br)ccc2[nH]1)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000891803336 663351083 /nfs/dbraw/zinc/35/10/83/663351083.db2.gz KLIMJGTZNDNKOR-CVEARBPZSA-N 1 0 377.286 2.966 20 0 GFADRO [NH3+]CC[C@H](NC(=O)NCc1cc2cc(Br)ccc2o1)C(F)F ZINC000892150055 663363646 /nfs/dbraw/zinc/36/36/46/663363646.db2.gz HIRNCCLYPHRSSA-NSHDSACASA-N 1 0 376.201 2.977 20 0 GFADRO COCCC1(NC(=O)NCc2cccc(Br)c2C)CC[NH2+]CC1 ZINC000892232056 663366460 /nfs/dbraw/zinc/36/64/60/663366460.db2.gz JAEQBLUQTRERLR-UHFFFAOYSA-N 1 0 384.318 2.715 20 0 GFADRO O=C(NCCC1CC[NH2+]CC1)N[C@@H]1[C@@H]2Cc3ccc(Br)cc3[C@@H]21 ZINC000892233956 663366724 /nfs/dbraw/zinc/36/67/24/663366724.db2.gz ZLHUNGZPGYECFS-IXDOHACOSA-N 1 0 378.314 2.776 20 0 GFADRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CC2(CCOCC2)c2ccc(Br)cc21 ZINC000892306972 663368816 /nfs/dbraw/zinc/36/88/16/663368816.db2.gz NADNILMTYXDWCV-SWLSCSKDSA-N 1 0 394.313 2.777 20 0 GFADRO O=C(N[C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21)N1CCC2(C1)CC[NH2+]CC2 ZINC000892322238 663369236 /nfs/dbraw/zinc/36/92/36/663369236.db2.gz JGNKDCKHTXUZHZ-HYVNUMGLSA-N 1 0 390.325 2.872 20 0 GFADRO O=C(N[C@H]1[C@@H]2Cc3cc(Br)ccc3[C@@H]21)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000892425414 663373203 /nfs/dbraw/zinc/37/32/03/663373203.db2.gz BDUSIHLFBYTRGI-MTSZKFMLSA-N 1 0 376.298 2.623 20 0 GFADRO CC(C)(COc1ncccc1Br)NC(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000892438630 663373793 /nfs/dbraw/zinc/37/37/93/663373793.db2.gz FWAUVNIXNWDGDS-JOCQHMNTSA-N 1 0 399.333 2.818 20 0 GFADRO COC(=O)c1ccc(CNC(=O)N[C@H]2CC[C@H](C[NH3+])CC2)c(Br)c1 ZINC000892440034 663373807 /nfs/dbraw/zinc/37/38/07/663373807.db2.gz VRRZGOACYYEMKQ-YEORSEQZSA-N 1 0 398.301 2.552 20 0 GFADRO COc1cc(C[NH2+]Cc2ncc(Br)cc2O)cc(OC)c1OC ZINC000892451720 663374063 /nfs/dbraw/zinc/37/40/63/663374063.db2.gz CEUYNKCDNBFCNP-UHFFFAOYSA-N 1 0 383.242 2.865 20 0 GFADRO C[C@@]1(Br)C[C@@H]1C[NH2+]CCc1ccc(OCC(=O)NC2CC2)cc1 ZINC000892633932 663379371 /nfs/dbraw/zinc/37/93/71/663379371.db2.gz KSQGUZVLVJLEGY-RDTXWAMCSA-N 1 0 381.314 2.650 20 0 GFADRO CCC[N@H+](C)C[C@H]1CCN(c2nc(C(=O)OCC)ncc2Br)C1 ZINC000892723117 663383123 /nfs/dbraw/zinc/38/31/23/663383123.db2.gz ZUCKTMAMEAQNTB-GFCCVEGCSA-N 1 0 385.306 2.584 20 0 GFADRO CN(C)C(=O)C[C@H]([NH2+]Cc1ncc(Br)cc1O)c1ccccc1 ZINC000892722441 663383232 /nfs/dbraw/zinc/38/32/32/663383232.db2.gz XKSFPOVILRJOTI-AWEZNQCLSA-N 1 0 378.270 2.859 20 0 GFADRO C[C@@]1(NC(=O)c2cccc(F)c2I)C[NH+]2CCC1CC2 ZINC000892777055 663384339 /nfs/dbraw/zinc/38/43/39/663384339.db2.gz QXEIXGQVBZTYPT-OAHLLOKOSA-N 1 0 388.224 2.644 20 0 GFADRO O=S(=O)(c1ccccc1)C1CC([NH2+]C2CCN(CC(F)(F)F)CC2)C1 ZINC000892782653 663384691 /nfs/dbraw/zinc/38/46/91/663384691.db2.gz TZDFFMMPCDUILW-UHFFFAOYSA-N 1 0 376.444 2.608 20 0 GFADRO C[C@]1(NC(=O)c2cc(F)ccc2I)C[NH+]2CCC1CC2 ZINC000892785867 663384872 /nfs/dbraw/zinc/38/48/72/663384872.db2.gz QPRKRKIURHDNLQ-HNNXBMFYSA-N 1 0 388.224 2.644 20 0 GFADRO C[C@@H]1CCC[C@H](CC[NH+](C)C)N1C(=O)c1cc2ncc(Br)cn2n1 ZINC000893008377 663392934 /nfs/dbraw/zinc/39/29/34/663392934.db2.gz PNIHRYSWVJUMEJ-TZMCWYRMSA-N 1 0 394.317 2.827 20 0 GFADRO OC[C@H]1CCC[N@@H+]1Cc1ccccc1CNc1ccc(Br)nn1 ZINC000893118642 663397349 /nfs/dbraw/zinc/39/73/49/663397349.db2.gz IGBMTCYHJODCPN-OAHLLOKOSA-N 1 0 377.286 2.808 20 0 GFADRO C[C@@H]1CN(C(=O)c2cnc(F)c(Br)c2)CCN1c1cc[nH+]cc1 ZINC000893446294 663411886 /nfs/dbraw/zinc/41/18/86/663411886.db2.gz FOYXHLNUUHGZME-LLVKDONJSA-N 1 0 379.233 2.729 20 0 GFADRO O=C(NCc1ccc(O)c(Br)c1)N1CCC([NH2+]C2CCC2)CC1 ZINC000893736809 663422954 /nfs/dbraw/zinc/42/29/54/663422954.db2.gz ZSDIHQPFPXCSQM-UHFFFAOYSA-N 1 0 382.302 2.971 20 0 GFADRO Cc1ncoc1C[NH+]1CCC(C(=O)Nc2ccc(Br)cn2)CC1 ZINC000893961989 663433486 /nfs/dbraw/zinc/43/34/86/663433486.db2.gz IFOXZBKLCQFMIM-UHFFFAOYSA-N 1 0 379.258 2.991 20 0 GFADRO C[C@@H](NC(=O)N[C@](C)(CO)c1cccc(Br)c1)C1=CC[N@H+](C)CC1 ZINC000894104851 663442779 /nfs/dbraw/zinc/44/27/79/663442779.db2.gz JZRFHMUVXJUCIQ-FZKQIMNGSA-N 1 0 396.329 2.606 20 0 GFADRO CC(=O)Nc1cc(Br)ccc1C[NH2+]C[C@@H]1CCCN(C(C)=O)C1 ZINC000894158066 663446065 /nfs/dbraw/zinc/44/60/65/663446065.db2.gz BIYBNSHLRVKCOY-AWEZNQCLSA-N 1 0 382.302 2.756 20 0 GFADRO CC[C@](C)(COc1ncccc1Cl)[NH2+]Cc1nc(Br)nn1C ZINC000894358927 663457523 /nfs/dbraw/zinc/45/75/23/663457523.db2.gz LVLJDPPAQILIKU-CQSZACIVSA-N 1 0 388.697 2.963 20 0 GFADRO CC(C)C[C@@H]1C[C@@H]([NH2+]Cc2cn(C)nc2I)CCO1 ZINC000894376531 663458944 /nfs/dbraw/zinc/45/89/44/663458944.db2.gz SFXISBFRGIMNHB-QWHCGFSZSA-N 1 0 377.270 2.708 20 0 GFADRO CC(C)[C@H]([NH2+]Cc1cn(C)nc1I)[C@H](O)c1ccccc1 ZINC000894596836 663470583 /nfs/dbraw/zinc/47/05/83/663470583.db2.gz DNQCRGICJLAZMY-LSDHHAIUSA-N 1 0 399.276 2.873 20 0 GFADRO O=c1ccc(Br)cn1CC[NH2+]Cc1cnc(CC(F)(F)F)s1 ZINC000894667345 663475173 /nfs/dbraw/zinc/47/51/73/663475173.db2.gz MHCZEJHCSARTCX-UHFFFAOYSA-N 1 0 396.232 2.962 20 0 GFADRO C[N@@H+]1C[C@@H]2CN(C(=O)N[C@H](c3cncc(Br)c3)C3CC3)C[C@]2(C)C1 ZINC000894689976 663476263 /nfs/dbraw/zinc/47/62/63/663476263.db2.gz MFPLNHDQOQUEBX-HFTRVMKXSA-N 1 0 393.329 2.888 20 0 GFADRO COc1ccc(Br)cc1C[C@H](CO)C[NH2+]Cc1nccn1C1CC1 ZINC000894766681 663480488 /nfs/dbraw/zinc/48/04/88/663480488.db2.gz VQIPNHRFQFGXBL-ZDUSSCGKSA-N 1 0 394.313 2.930 20 0 GFADRO C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)c1cc(Br)cnc1F ZINC000895262593 663505820 /nfs/dbraw/zinc/50/58/20/663505820.db2.gz MTOJXTRVUBLMTB-NSHDSACASA-N 1 0 379.233 2.729 20 0 GFADRO Cc1sc(Br)nc1C(=O)N1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000895266612 663505894 /nfs/dbraw/zinc/50/58/94/663505894.db2.gz BDSXLKGJANJVPY-SNVBAGLBSA-N 1 0 381.299 2.960 20 0 GFADRO Fc1ccc2c(c1)OC[C@H]([NH2+]Cc1sc(N3CCOCC3)nc1Cl)C2 ZINC000895276802 663506541 /nfs/dbraw/zinc/50/65/41/663506541.db2.gz ZHKCUSFRJXSPHJ-CYBMUJFWSA-N 1 0 383.876 2.866 20 0 GFADRO C[C@]1(CO)C[C@H](O)C[N@@H+]1Cc1cnc(-c2ccc(Br)cc2)s1 ZINC000895332804 663508542 /nfs/dbraw/zinc/50/85/42/663508542.db2.gz YZWNKIQZDPQEOY-XJKSGUPXSA-N 1 0 383.311 2.890 20 0 GFADRO Cc1csc([C@@H]2CCN(Cc3c(I)cnn3C)C2)n1 ZINC000895473659 663516125 /nfs/dbraw/zinc/51/61/25/663516125.db2.gz QYSUSVFCHCCLKX-SNVBAGLBSA-N 1 0 388.278 2.779 20 0 GFADRO CC(=O)N1C[C@@H]2C[N@@H+](Cc3ccc(OC(F)F)c(Br)c3)C[C@@H]2C1 ZINC000895576922 663519413 /nfs/dbraw/zinc/51/94/13/663519413.db2.gz WUTQPXWYZRMZMA-BETUJISGSA-N 1 0 389.240 2.961 20 0 GFADRO CCOC(=O)c1nc(N[C@@H](CC)CN2CCOCC2)ccc1Br ZINC000895802134 663528097 /nfs/dbraw/zinc/52/80/97/663528097.db2.gz YMNRWSXMUUBUNM-LBPRGKRZSA-N 1 0 386.290 2.544 20 0 GFADRO F[C@@H]1CC2(CC[C@H]1[NH2+][C@H]1COc3cccc(Br)c3C1)OCCO2 ZINC000895855035 663530651 /nfs/dbraw/zinc/53/06/51/663530651.db2.gz JAZMJICRESPQIT-KCPJHIHWSA-N 1 0 386.261 2.976 20 0 GFADRO Cc1ccc([C@H](CNC(=O)c2cn(C)nc2Br)[NH+]2CCCC2)o1 ZINC000896063497 663539397 /nfs/dbraw/zinc/53/93/97/663539397.db2.gz ANJGURAHAIXIRS-ZDUSSCGKSA-N 1 0 381.274 2.651 20 0 GFADRO CCCSC[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O ZINC000896202871 663544929 /nfs/dbraw/zinc/54/49/29/663544929.db2.gz MVZYNWBBZQMJEQ-LSDHHAIUSA-N 1 0 394.603 2.532 20 0 GFADRO CN(C)CC[NH+]1CCC(CNC(=O)c2cc3c(cncc3Cl)s2)CC1 ZINC000896409740 663556112 /nfs/dbraw/zinc/55/61/12/663556112.db2.gz GDVHCDLYYZLNHW-UHFFFAOYSA-N 1 0 380.945 2.953 20 0 GFADRO Cc1cc(C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCN2C)cc(Cl)c1Br ZINC000896543386 663562455 /nfs/dbraw/zinc/56/24/55/663562455.db2.gz XFSJXAVDBWGFMN-RISCZKNCSA-N 1 0 388.737 2.775 20 0 GFADRO C[C@H](NC(=O)c1ccc(Br)c(Cl)c1F)[C@H]1C[N@H+](C)CCN1C ZINC000896545557 663563168 /nfs/dbraw/zinc/56/31/68/663563168.db2.gz QWESDJJJQYMAJA-JOYOIKCWSA-N 1 0 392.700 2.606 20 0 GFADRO C[C@@H](NC(=O)Cc1csc(-c2ccc(Cl)s2)n1)[C@H]1C[N@H+](C)CCN1C ZINC000896565996 663564191 /nfs/dbraw/zinc/56/41/91/663564191.db2.gz AWADBELKQLRPPV-DGCLKSJQSA-N 1 0 398.985 2.818 20 0 GFADRO CCOc1cc(CNC[C@H](C[NH+](C)C)OCC)cc(Br)c1O ZINC000896879991 663580410 /nfs/dbraw/zinc/58/04/10/663580410.db2.gz KQGPEWKOSMZIGT-CYBMUJFWSA-N 1 0 375.307 2.610 20 0 GFADRO C[C@H](Cc1ccc(F)c(Br)c1)NC(=O)C1C[NH+](C2CCOCC2)C1 ZINC000897018404 663586871 /nfs/dbraw/zinc/58/68/71/663586871.db2.gz XGAVYGVKAVYZQW-GFCCVEGCSA-N 1 0 399.304 2.746 20 0 GFADRO OCC[N@@H+]1CCC[C@H]2[C@@H]1CCN2c1nc(-c2ccc(Br)cc2)no1 ZINC000897220000 663595168 /nfs/dbraw/zinc/59/51/68/663595168.db2.gz RDANYPFVNLMYCQ-GJZGRUSLSA-N 1 0 393.285 2.535 20 0 GFADRO CS[C@@H]1CN(C(=O)Cc2sc(CC(F)(F)F)nc2C)C[C@H]1[NH+](C)C ZINC000897238364 663596375 /nfs/dbraw/zinc/59/63/75/663596375.db2.gz XMQFUIOMGSEASG-ZYHUDNBSSA-N 1 0 381.489 2.603 20 0 GFADRO COC(=O)CCC1([NH2+]Cc2ccc(S(N)(=O)=O)c(Cl)c2)CCCCC1 ZINC000897337353 663601270 /nfs/dbraw/zinc/60/12/70/663601270.db2.gz OKYPJBMALZGVRU-UHFFFAOYSA-N 1 0 388.917 2.733 20 0 GFADRO C[C@H](C[NH2+]C1CCN(S(C)(=O)=O)CC1)c1ccc(Br)cc1 ZINC000897471061 663607006 /nfs/dbraw/zinc/60/70/06/663607006.db2.gz JZUZREIYTFENMU-GFCCVEGCSA-N 1 0 375.332 2.566 20 0 GFADRO C[C@@H]1CCC[N@@H+]1CCNC(=O)N(C)C[C@H](O)c1ccccc1Br ZINC000897509197 663607742 /nfs/dbraw/zinc/60/77/42/663607742.db2.gz VOBVIYAYBFXKPZ-CJNGLKHVSA-N 1 0 384.318 2.608 20 0 GFADRO CCO[P@](C)(=O)CC[C@@H](C)[NH2+]C[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1 ZINC000897695687 663616179 /nfs/dbraw/zinc/61/61/79/663616179.db2.gz OUJSWZRIQYSQEQ-OOGSEDQNSA-N 1 0 378.450 2.671 20 0 GFADRO O=C(NCc1cscc1Cl)C(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000897868406 663622931 /nfs/dbraw/zinc/62/29/31/663622931.db2.gz JDMJJQOEBVZUEP-UHFFFAOYSA-N 1 0 383.945 2.931 20 0 GFADRO C[C@@H]1CCC[N@@H+]1CCNC(=O)c1cnn(Cc2ccccc2)c1Br ZINC000898037225 663631080 /nfs/dbraw/zinc/63/10/80/663631080.db2.gz OYHNCJYIHZBAMA-CQSZACIVSA-N 1 0 391.313 2.908 20 0 GFADRO COc1cc(Cl)c(Cl)cc1C(=O)N1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000898117600 663634532 /nfs/dbraw/zinc/63/45/32/663634532.db2.gz IRVIGUCGLAVIKP-UHFFFAOYSA-N 1 0 387.307 2.969 20 0 GFADRO Cc1cc(Br)ccc1C(=O)N1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000898121188 663634592 /nfs/dbraw/zinc/63/45/92/663634592.db2.gz KXXRVCPEYKUYCH-UHFFFAOYSA-N 1 0 381.314 2.724 20 0 GFADRO O=c1cc(N2CC[C@H]([NH2+]Cc3cc(Cl)cc(Br)c3)C2)nc[nH]1 ZINC000898150482 663635456 /nfs/dbraw/zinc/63/54/56/663635456.db2.gz XXEFSNPXLLUEFS-ZDUSSCGKSA-N 1 0 383.677 2.967 20 0 GFADRO O=c1cc(N2CC[C@H]([NH2+][C@@H]3CCc4cccc(Br)c4C3)C2)nc[nH]1 ZINC000898152912 663635808 /nfs/dbraw/zinc/63/58/08/663635808.db2.gz PZEADOIDVHVMGD-KGLIPLIRSA-N 1 0 389.297 2.671 20 0 GFADRO O=c1cc(N2CC[C@H]([NH2+][C@H]3CCc4c3cccc4Br)C2)nc[nH]1 ZINC000898152348 663636004 /nfs/dbraw/zinc/63/60/04/663636004.db2.gz GLVFPSJYORYSHJ-NHYWBVRUSA-N 1 0 375.270 2.801 20 0 GFADRO Cn1ncc2cc(C[NH2+][C@@](C)(CO)c3cccc(Br)c3)cnc21 ZINC000898168747 663637031 /nfs/dbraw/zinc/63/70/31/663637031.db2.gz OUDHASOSPROMAI-KRWDZBQOSA-N 1 0 375.270 2.728 20 0 GFADRO Ic1ccc2c(c1)[C@@H]([NH2+]Cc1cnc3n1CCOC3)CC2 ZINC000898266418 663641619 /nfs/dbraw/zinc/64/16/19/663641619.db2.gz NVQCSFNRMWKZQG-HNNXBMFYSA-N 1 0 395.244 2.795 20 0 GFADRO O=S(=O)(Nc1cccc(C[NH2+][C@H]2CCO[C@H](C(F)(F)F)C2)c1)C1CC1 ZINC000898290456 663642107 /nfs/dbraw/zinc/64/21/07/663642107.db2.gz RGSBEQVHHSVDMH-WFASDCNBSA-N 1 0 378.416 2.790 20 0 GFADRO O=S(=O)(Nc1cccc(C[NH2+][C@@H]2CCO[C@H](C(F)(F)F)C2)c1)C1CC1 ZINC000898290451 663642126 /nfs/dbraw/zinc/64/21/26/663642126.db2.gz RGSBEQVHHSVDMH-DOMZBBRYSA-N 1 0 378.416 2.790 20 0 GFADRO COC(=O)c1ccc(C[NH2+][C@]23CC(=O)N[C@H]2CCCC3)cc1Br ZINC000898461689 663650702 /nfs/dbraw/zinc/65/07/02/663650702.db2.gz GWVBGXUHZMOYTF-WMLDXEAASA-N 1 0 381.270 2.527 20 0 GFADRO O=C(CCC[NH+]1CCN(c2ccccc2)CC1)Nc1c[nH]nc1Br ZINC000898473328 663651442 /nfs/dbraw/zinc/65/14/42/663651442.db2.gz DMQBBBGFZMBUEG-UHFFFAOYSA-N 1 0 392.301 2.713 20 0 GFADRO COC(=O)C1CC2(C1)C[C@H]([NH2+][C@@H](C)CCCC(F)(F)F)CCS2(=O)=O ZINC000898488440 663652300 /nfs/dbraw/zinc/65/23/00/663652300.db2.gz STTCOALPHQWTMY-OYNVLQORSA-N 1 0 385.448 2.596 20 0 GFADRO C[N@@H+]1CC[C@@H](N[C@H](CO)c2ccccc2I)CC1(C)C ZINC000898511559 663653539 /nfs/dbraw/zinc/65/35/39/663653539.db2.gz DWGVKGUGYXAQKA-IUODEOHRSA-N 1 0 388.293 2.787 20 0 GFADRO C[C@@H]1CC2(CC([NH2+][C@@H](CO)c3ccccc3I)C2)CO1 ZINC000898511548 663653666 /nfs/dbraw/zinc/65/36/66/663653666.db2.gz DUAKZSVWWMRBII-IABDWYQCSA-N 1 0 387.261 2.872 20 0 GFADRO CC(C)[NH+]1CCC(N[C@H](CO)c2ccccc2I)CC1 ZINC000898513080 663654319 /nfs/dbraw/zinc/65/43/19/663654319.db2.gz QAJOJOIJCXZPAH-MRXNPFEDSA-N 1 0 388.293 2.787 20 0 GFADRO O=C(Cc1ccc(Br)cc1)NC1CC[NH+](C2CCOCC2)CC1 ZINC000898626359 663658353 /nfs/dbraw/zinc/65/83/53/663658353.db2.gz MRHLMLQCSBMXSU-UHFFFAOYSA-N 1 0 381.314 2.751 20 0 GFADRO COC(=O)/C=C\c1ccc(C[NH2+][C@@H]2CCc3ncc(Br)n3C2)o1 ZINC000898719077 663660027 /nfs/dbraw/zinc/66/00/27/663660027.db2.gz AOCHNGVJFXSAAC-JPVGGKMYSA-N 1 0 380.242 2.529 20 0 GFADRO CC(C)C[C@@H](C[NH+](C)C)NC(=O)NC1(c2ncc(Br)cn2)CCC1 ZINC000898990764 663672208 /nfs/dbraw/zinc/67/22/08/663672208.db2.gz SVRLTNLPRJFPFT-AWEZNQCLSA-N 1 0 398.349 2.894 20 0 GFADRO C[C@@H](C(=O)Nc1ccc(NC2=[NH+]CCN2)c(Cl)c1)N(C)CC(F)(F)F ZINC000899049664 663673345 /nfs/dbraw/zinc/67/33/45/663673345.db2.gz XWGBNXCQHWMUSY-VIFPVBQESA-N 1 0 377.798 2.532 20 0 GFADRO CC[C@H](C)[NH2+][C@H](CNC(=O)C1(n2cc(Br)cn2)CC1)c1ccco1 ZINC000899080908 663674382 /nfs/dbraw/zinc/67/43/82/663674382.db2.gz ZGVHEYWYTLSSGO-GXTWGEPZSA-N 1 0 395.301 2.973 20 0 GFADRO CC[C@@H](C)[NH2+][C@@H](CNC(=O)c1cc(=O)n(C)cc1Br)c1ccco1 ZINC000899078703 663674523 /nfs/dbraw/zinc/67/45/23/663674523.db2.gz JNQNHCDHJYQONE-RISCZKNCSA-N 1 0 396.285 2.600 20 0 GFADRO O=C(NCc1ccn(-c2ccc(Br)cc2)n1)[C@@]12CC[N@H+](C1)CCC2 ZINC000899460969 663689344 /nfs/dbraw/zinc/68/93/44/663689344.db2.gz MQVZJFYPUUBEKG-SFHVURJKSA-N 1 0 389.297 2.737 20 0 GFADRO C[NH+]1CCC(NC(=S)NNc2ccc(Cl)c(Br)c2)CC1 ZINC000899620741 663696446 /nfs/dbraw/zinc/69/64/46/663696446.db2.gz RHJZAKMLBAEQQL-UHFFFAOYSA-N 1 0 377.739 2.988 20 0 GFADRO COc1ccc(Br)cc1[C@@H](N)c1nc(C2C[C@H]3CC[C@@H](C2)[NH2+]3)no1 ZINC000900015401 663706469 /nfs/dbraw/zinc/70/64/69/663706469.db2.gz AAUWBHQHHPUYGS-JHXYUMNGSA-N 1 0 393.285 2.887 20 0 GFADRO O=C1Nc2c(cccc2Br)[C@@H]1Cc1nc([C@@H]2CCC[NH2+]C2)no1 ZINC000900015224 663706507 /nfs/dbraw/zinc/70/65/07/663706507.db2.gz IRTILQDVEBQGQF-KOLCDFICSA-N 1 0 377.242 2.578 20 0 GFADRO C[NH+]1CCC(NCc2cn(Cc3ccc(Cl)c(Br)c3)nn2)CC1 ZINC000900562654 663717196 /nfs/dbraw/zinc/71/71/96/663717196.db2.gz VRYIZIGBXATJMF-UHFFFAOYSA-N 1 0 398.736 2.926 20 0 GFADRO C[NH+]1CCC(NCc2cn(C[C@H](O)c3ccc(Cl)cc3Cl)nn2)CC1 ZINC000900582906 663717436 /nfs/dbraw/zinc/71/74/36/663717436.db2.gz POSOPJBOKDNVKV-KRWDZBQOSA-N 1 0 384.311 2.502 20 0 GFADRO CC(C)(C)CN1CCC[C@@H]([NH2+][C@@H]2CCc3ncc(Br)n3C2)C1=O ZINC000901728921 663743786 /nfs/dbraw/zinc/74/37/86/663743786.db2.gz PKCVSWOGKGRSQR-CHWSQXEVSA-N 1 0 383.334 2.587 20 0 GFADRO Cc1nc(NC(=O)[C@@H](C)[NH2+][C@H]2CCc3ncc(Br)n3C2)sc1C ZINC000901728883 663743792 /nfs/dbraw/zinc/74/37/92/663743792.db2.gz OMZOCGAUTUQFCH-KOLCDFICSA-N 1 0 398.330 2.651 20 0 GFADRO CC(C)(C)OC(=O)NC1(C(=[NH2+])NOCc2ncc(Br)s2)CC1 ZINC000902671424 663765859 /nfs/dbraw/zinc/76/58/59/663765859.db2.gz TYISORVHWFVHOQ-UHFFFAOYSA-N 1 0 391.291 2.961 20 0 GFADRO C[C@H]([NH2+]CC1(c2cccc(Br)c2)CCOCC1)c1cn(C)nn1 ZINC000902773294 663767376 /nfs/dbraw/zinc/76/73/76/663767376.db2.gz PICMRTGSBVLRHP-ZDUSSCGKSA-N 1 0 379.302 2.977 20 0 GFADRO C[C@@H]([NH2+][C@H]1CCN(CCN2CCOCC2)C1)c1ccc(C(F)(F)F)s1 ZINC000902806338 663767692 /nfs/dbraw/zinc/76/76/92/663767692.db2.gz KGELSEZVPTXYRR-KGLIPLIRSA-N 1 0 377.476 2.824 20 0 GFADRO C[N@H+]1C[C@H]2CN(C(=O)C(F)(F)c3ncc(C(F)(F)F)cc3Cl)C[C@H]2C1 ZINC000902929022 663769655 /nfs/dbraw/zinc/76/96/55/663769655.db2.gz RDEMCQFBGIADKN-DTORHVGOSA-N 1 0 383.748 2.866 20 0 GFADRO CCCn1cc([C@H](C)[NH2+]C[C@@H](CO)Cc2ccccc2Br)nn1 ZINC000902972557 663770174 /nfs/dbraw/zinc/77/01/74/663770174.db2.gz GCYACFFCXQQHHT-KBPBESRZSA-N 1 0 381.318 2.952 20 0 GFADRO C[C@H]([NH2+]CCn1cc(Br)ccc1=O)[C@@H]1COc2ccccc2C1 ZINC000903003622 663770699 /nfs/dbraw/zinc/77/06/99/663770699.db2.gz XCXAPXZSWIFMMJ-ZFWWWQNUSA-N 1 0 377.282 2.840 20 0 GFADRO C[C@H](CO[C@@H]1CCOC1)[NH2+][C@H](C)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000903110322 663773960 /nfs/dbraw/zinc/77/39/60/663773960.db2.gz NIEQUJVPPVGODY-YRGRVCCFSA-N 1 0 381.416 2.825 20 0 GFADRO O=S(=O)(c1cccc(OC(F)(F)F)c1F)N1CCC([NH+]2CCC2)CC1 ZINC000903204328 663778409 /nfs/dbraw/zinc/77/84/09/663778409.db2.gz NYFPNIOMDBIASR-UHFFFAOYSA-N 1 0 382.379 2.583 20 0 GFADRO COc1ccc([C@@H](CCC(C)C)[NH2+]CCS(=O)(=O)N=S(C)(C)=O)cc1 ZINC000903228889 663779387 /nfs/dbraw/zinc/77/93/87/663779387.db2.gz BSUQNFVAFFOEEE-QGZVFWFLSA-N 1 0 390.571 2.820 20 0 GFADRO CCNS(=O)(=O)c1cccc(C[NH2+][C@H](C)c2ccc(Br)nc2)c1 ZINC000903233579 663780062 /nfs/dbraw/zinc/78/00/62/663780062.db2.gz IUAJBGQHFSLJTH-GFCCVEGCSA-N 1 0 398.326 2.993 20 0 GFADRO COCCC[C@@H]([NH2+]CCCc1nnnn1C)c1ccc(Br)cc1 ZINC000903348619 663782462 /nfs/dbraw/zinc/78/24/62/663782462.db2.gz HFEXCODQZJJMFK-OAHLLOKOSA-N 1 0 382.306 2.663 20 0 GFADRO CC[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C[C@@]1(OC)CCS(=O)(=O)C1 ZINC000903363864 663782680 /nfs/dbraw/zinc/78/26/80/663782680.db2.gz RTVFPSWLRKMSEL-CVEARBPZSA-N 1 0 379.444 2.820 20 0 GFADRO CO[C@]1(C[NH2+][C@H](CSC)c2ccc(C(F)(F)F)cc2)CCS(=O)(=O)C1 ZINC000903364965 663782882 /nfs/dbraw/zinc/78/28/82/663782882.db2.gz GBYROTSRSRLQFR-CABCVRRESA-N 1 0 397.484 2.903 20 0 GFADRO CO[C@]1(C[NH2+][C@H]2CCCc3c(Br)cccc32)CCS(=O)(=O)C1 ZINC000903365320 663783041 /nfs/dbraw/zinc/78/30/41/663783041.db2.gz LXHGNWZHZFLMEX-HOTGVXAUSA-N 1 0 388.327 2.620 20 0 GFADRO C[C@@H]1CN(Cc2csc(-c3ccc(S(C)(=O)=O)cc3)n2)C[C@H]1CC[NH3+] ZINC000903499670 663785677 /nfs/dbraw/zinc/78/56/77/663785677.db2.gz LMUCZUVJNKUBOR-UKRRQHHQSA-N 1 0 379.551 2.630 20 0 GFADRO O=S(=O)(Cc1cccc(Cl)c1Br)NCC[C@H]1CC[NH2+]C1 ZINC000903512634 663786258 /nfs/dbraw/zinc/78/62/58/663786258.db2.gz AEXDNIJWOCBUDR-SNVBAGLBSA-N 1 0 381.723 2.522 20 0 GFADRO O=S(=O)(Cc1cccc(Cl)c1Br)NCC[C@@H]1CC[NH2+]C1 ZINC000903512633 663786261 /nfs/dbraw/zinc/78/62/61/663786261.db2.gz AEXDNIJWOCBUDR-JTQLQIEISA-N 1 0 381.723 2.522 20 0 GFADRO [NH3+]CC1([C@@H]2CCCCN2S(=O)(=O)c2ncccc2Br)CCC1 ZINC000903547878 663788171 /nfs/dbraw/zinc/78/81/71/663788171.db2.gz WUBAMLNJGFEGHH-ZDUSSCGKSA-N 1 0 388.331 2.516 20 0 GFADRO Cc1cc(Br)sc1S(=O)(=O)NC1(C2CC[NH2+]CC2)CC1 ZINC000903557714 663788715 /nfs/dbraw/zinc/78/87/15/663788715.db2.gz IIOONFAFSOWCQI-UHFFFAOYSA-N 1 0 379.345 2.630 20 0 GFADRO COc1cc(C(F)(F)F)cc(S(=O)(=O)NC2(C3CC[NH2+]CC3)CC2)c1 ZINC000903558659 663788770 /nfs/dbraw/zinc/78/87/70/663788770.db2.gz UUKYIXYAXMCLKF-UHFFFAOYSA-N 1 0 378.416 2.525 20 0 GFADRO [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(S(=O)(=O)c1c(Cl)cccc1Br)C2 ZINC000903578528 663789916 /nfs/dbraw/zinc/78/99/16/663789916.db2.gz CAABOQINKZONKX-AEJSXWLSSA-N 1 0 379.707 2.603 20 0 GFADRO [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(S(=O)(=O)c1cc(Br)sc1Cl)C2 ZINC000903580393 663790286 /nfs/dbraw/zinc/79/02/86/663790286.db2.gz XEYYFGNGWWSEOD-RNJXMRFFSA-N 1 0 385.736 2.664 20 0 GFADRO [NH3+]C[C@@]12CC[C@@H]1CCN2S(=O)(=O)c1cc(Cl)ccc1Br ZINC000903590621 663790838 /nfs/dbraw/zinc/79/08/38/663790838.db2.gz XUMGJDQAJWRZOG-RNCFNFMXSA-N 1 0 379.707 2.604 20 0 GFADRO COC[C@@H]1C[NH2+]CCN1CC(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000903875616 663809801 /nfs/dbraw/zinc/80/98/01/663809801.db2.gz GAVYDRMIRKUCES-WMLDXEAASA-N 1 0 386.323 2.577 20 0 GFADRO FC1(F)CC[NH2+]C[C@H]1CNCc1cc(Br)c2c(c1)OCCO2 ZINC000903954518 663813693 /nfs/dbraw/zinc/81/36/93/663813693.db2.gz DFAHMBIPMBNXDN-NSHDSACASA-N 1 0 377.229 2.555 20 0 GFADRO Cc1cc(Br)cn2c(CN3C[C@@H](C(F)(F)F)[C@H]([NH3+])C3)cnc12 ZINC000903982595 663815254 /nfs/dbraw/zinc/81/52/54/663815254.db2.gz RPOXDEPMKXTDDA-VXGBXAGGSA-N 1 0 377.208 2.727 20 0 GFADRO COc1ccc(CN2CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C2)c(Br)c1O ZINC000903983615 663815283 /nfs/dbraw/zinc/81/52/83/663815283.db2.gz KLQVAYJUCPEXDP-ZJUUUORDSA-N 1 0 383.208 2.875 20 0 GFADRO Brc1ccccc1-n1nncc1-c1nc([C@@H]2CCC[NH2+]C2)no1 ZINC000904073182 663822586 /nfs/dbraw/zinc/82/25/86/663822586.db2.gz JFKTYMHILGUAQC-SNVBAGLBSA-N 1 0 375.230 2.547 20 0 GFADRO COc1cc(Br)ccc1-c1noc(-c2ccn(CCC[NH3+])n2)n1 ZINC000904104415 663824540 /nfs/dbraw/zinc/82/45/40/663824540.db2.gz QVXGZERQDHWGIE-UHFFFAOYSA-N 1 0 378.230 2.720 20 0 GFADRO Ic1ccc(OCc2noc([C@@H]3[C@@H]4CC[NH2+]C[C@@H]43)n2)cc1 ZINC000904116616 663825097 /nfs/dbraw/zinc/82/50/97/663825097.db2.gz LTUSDJGLVYBMJM-MBNYWOFBSA-N 1 0 397.216 2.576 20 0 GFADRO [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)Nc1cc(Br)ccc1-n1cccn1)C2 ZINC000904336243 663830696 /nfs/dbraw/zinc/83/06/96/663830696.db2.gz MUFSLOAMLBRSNF-YUTCNCBUSA-N 1 0 390.285 2.978 20 0 GFADRO CCOc1ccc(NC(=O)N(C)C2(C[NH3+])CCOCC2)cc1Br ZINC000904428176 663833896 /nfs/dbraw/zinc/83/38/96/663833896.db2.gz FZPUSZGSEODYHV-UHFFFAOYSA-N 1 0 386.290 2.819 20 0 GFADRO CNC(=O)c1cccc(NC(=O)N2CCC[C@@H](C)[C@H]2CC[NH3+])c1Br ZINC000904486228 663836298 /nfs/dbraw/zinc/83/62/98/663836298.db2.gz YJUQDSXIIQQONP-BXUZGUMPSA-N 1 0 397.317 2.790 20 0 GFADRO COCCOc1ccc(NC(=O)N[C@@]23CCC[C@H]2[NH2+]CC3)cc1Br ZINC000904547136 663837313 /nfs/dbraw/zinc/83/73/13/663837313.db2.gz CAPZRHDDZUSTND-NVXWUHKLSA-N 1 0 398.301 2.880 20 0 GFADRO COCCOc1ccc(NC(=O)NCCC2(C[NH3+])CC2)cc1Br ZINC000904550063 663837465 /nfs/dbraw/zinc/83/74/65/663837465.db2.gz AFBMAPPNNSRFCV-UHFFFAOYSA-N 1 0 386.290 2.725 20 0 GFADRO COCCOc1ccc(NC(=O)NC2CCC([NH3+])CC2)cc1Br ZINC000904550640 663837686 /nfs/dbraw/zinc/83/76/86/663837686.db2.gz HSWNIPOIGQNEGH-UHFFFAOYSA-N 1 0 386.290 2.866 20 0 GFADRO COCCOc1ccc(NC(=O)N[C@H]2CC[C@@H](C[NH3+])C2)cc1Br ZINC000904550965 663837950 /nfs/dbraw/zinc/83/79/50/663837950.db2.gz INMSVNKXBUSPIB-NEPJUHHUSA-N 1 0 386.290 2.723 20 0 GFADRO C[C@H]([NH3+])C1(c2nc(-c3cccc(I)c3)no2)CCOCC1 ZINC000904664957 663839603 /nfs/dbraw/zinc/83/96/03/663839603.db2.gz IUCPBWAXNLDQAJ-JTQLQIEISA-N 1 0 399.232 2.737 20 0 GFADRO CC(C)(C[NH3+])Cc1nc(Cc2cccc(F)c2I)no1 ZINC000904672037 663840128 /nfs/dbraw/zinc/84/01/28/663840128.db2.gz LJAGIKKHVOULRP-UHFFFAOYSA-N 1 0 389.212 2.932 20 0 GFADRO Cc1cc(-c2noc([C@H]3CCCN(CC[NH3+])C3=O)n2)cc(C)c1Br ZINC000904693273 663841158 /nfs/dbraw/zinc/84/11/58/663841158.db2.gz WXWQSUHHZFNDNJ-CYBMUJFWSA-N 1 0 393.285 2.781 20 0 GFADRO [NH3+][C@@H]1CCCC[C@@H]1c1nc(CC(=O)Nc2ccccc2Br)no1 ZINC000904691574 663841267 /nfs/dbraw/zinc/84/12/67/663841267.db2.gz YYLSUKUAFPGYNJ-CMPLNLGQSA-N 1 0 379.258 2.998 20 0 GFADRO CC(C)(C[NH3+])Cc1nc(-c2cccn3c(I)cnc23)no1 ZINC000904702534 663841554 /nfs/dbraw/zinc/84/15/54/663841554.db2.gz YMSIBMZMFYQBPF-UHFFFAOYSA-N 1 0 397.220 2.516 20 0 GFADRO [NH3+]CCCSCCc1nc(-c2cn3ccc(Br)cc3n2)no1 ZINC000904722875 663842464 /nfs/dbraw/zinc/84/24/64/663842464.db2.gz YPEISHUDOJJEIK-UHFFFAOYSA-N 1 0 382.287 2.771 20 0 GFADRO Cc1csc([C@](O)(CC(=O)N2CCC[C@H](C)[C@@H]2CC[NH3+])C(F)(F)F)n1 ZINC000904927345 663847845 /nfs/dbraw/zinc/84/78/45/663847845.db2.gz CDHHVMADCNRTLH-ITDIGPHOSA-N 1 0 379.448 2.567 20 0 GFADRO C[NH+]1CCC(OCC(=O)Nc2cc(-c3ccc(Br)o3)ncn2)CC1 ZINC000904939944 663848269 /nfs/dbraw/zinc/84/82/69/663848269.db2.gz AUEARJOGQXWKLQ-UHFFFAOYSA-N 1 0 395.257 2.548 20 0 GFADRO C[C@@H](c1ccc(F)c(Br)c1)n1cc(CN2CCC([NH3+])CC2)nn1 ZINC000905057063 663851016 /nfs/dbraw/zinc/85/10/16/663851016.db2.gz JALVTWILJWUPSJ-NSHDSACASA-N 1 0 382.281 2.712 20 0 GFADRO Cc1sc(C[NH2+]C[C@@H](O)C[C@]2(O)CCOC2)nc1-c1ccc(Cl)cc1 ZINC000905067633 663851292 /nfs/dbraw/zinc/85/12/92/663851292.db2.gz GPYAZXXMMOFIOB-MAUKXSAKSA-N 1 0 382.913 2.764 20 0 GFADRO O=S(=O)(C1CC1)N1CCC([NH2+]C[C@H](O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000905157819 663855646 /nfs/dbraw/zinc/85/56/46/663855646.db2.gz BLAVZCVVLHFTGY-INIZCTEOSA-N 1 0 393.336 2.573 20 0 GFADRO O[C@H](C[NH2+]CCSCc1ccc(Cl)cc1Cl)C[C@@]1(O)CCOC1 ZINC000905198698 663858078 /nfs/dbraw/zinc/85/80/78/663858078.db2.gz BJDJLIJBEKFNOT-HOCLYGCPSA-N 1 0 380.337 2.719 20 0 GFADRO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1nscc1I ZINC000905313890 663865614 /nfs/dbraw/zinc/86/56/14/663865614.db2.gz CMOSYJHEJIQCOF-JTQLQIEISA-N 1 0 393.294 2.742 20 0 GFADRO O[C@@H](C[NH2+]Cc1cc(Br)c2ccccc2c1)C[C@]1(O)CCOC1 ZINC000905517771 663875711 /nfs/dbraw/zinc/87/57/11/663875711.db2.gz VOYKIQSNLKIMIE-CRAIPNDOSA-N 1 0 380.282 2.594 20 0 GFADRO COC(=O)[C@H]1C[C@@H]2C[C@H]([NH2+]C[C@@H](O)COc3c(Cl)cccc3Cl)[C@@H]2C1 ZINC000905654866 663884056 /nfs/dbraw/zinc/88/40/56/663884056.db2.gz RVZZKFINGPMMDQ-FSPSUXSGSA-N 1 0 388.291 2.910 20 0 GFADRO COC(=O)[C@@H]1C[C@@H]2C[C@H]([NH2+]C[C@H](O)COc3ccc(Cl)cc3Cl)[C@@H]2C1 ZINC000905655418 663884172 /nfs/dbraw/zinc/88/41/72/663884172.db2.gz WODIRWDAOUOZGB-KBGOUTFTSA-N 1 0 388.291 2.910 20 0 GFADRO Cn1cc([C@]2(C[NH2+]C[C@H](O)c3cccc(Br)c3)CCCO2)cn1 ZINC000905688040 663886379 /nfs/dbraw/zinc/88/63/79/663886379.db2.gz SKWFJCRGXPWQHP-DLBZAZTESA-N 1 0 380.286 2.512 20 0 GFADRO C[C@@]1(C2CCN(Cn3ncc(Br)c3C3CC3)CC2)COC(=O)N1 ZINC000905710000 663888204 /nfs/dbraw/zinc/88/82/04/663888204.db2.gz FAZJVONOHJIBLV-INIZCTEOSA-N 1 0 383.290 2.691 20 0 GFADRO NC(=O)[C@@H]([NH2+]C[C@@H]1CCC2(CCOCC2)CO1)c1ccc(Br)cc1 ZINC000905782124 663892015 /nfs/dbraw/zinc/89/20/15/663892015.db2.gz XZWIVWBSZZPPDY-HOTGVXAUSA-N 1 0 397.313 2.541 20 0 GFADRO C[C@H]([NH2+][C@H]1CCCN2CCSC[C@@H]12)C(=O)Nc1ccccc1Br ZINC000905851968 663896836 /nfs/dbraw/zinc/89/68/36/663896836.db2.gz AYQUYDHIUBNWTQ-RCBQFDQVSA-N 1 0 398.370 2.946 20 0 GFADRO O=C(NC1CC[NH+](CC2CC2)CC1)C(F)(F)c1ncccc1Br ZINC000906327816 663938089 /nfs/dbraw/zinc/93/80/89/663938089.db2.gz UTFWXXZVLQRNIV-UHFFFAOYSA-N 1 0 388.256 2.927 20 0 GFADRO C[N@@H+]1CC[C@H](CNC(=O)c2c(Cl)ccc(I)c2F)C1 ZINC000906358110 663941374 /nfs/dbraw/zinc/94/13/74/663941374.db2.gz DHWCSGKSDCJRFQ-MRVPVSSYSA-N 1 0 396.631 2.765 20 0 GFADRO CC(C)CN(CC[NH+](C)C)C(=O)c1cc(Br)cn(C2CC2)c1=O ZINC000906576732 663959155 /nfs/dbraw/zinc/95/91/55/663959155.db2.gz GFARGSXGNSKOGH-UHFFFAOYSA-N 1 0 384.318 2.606 20 0 GFADRO Cc1cc(C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)nn1-c1ccccc1Br ZINC000906626954 663961748 /nfs/dbraw/zinc/96/17/48/663961748.db2.gz IFKGDWSWIAZNEY-ZIAGYGMSSA-N 1 0 389.297 2.625 20 0 GFADRO C[C@H]1C[C@H](NC(=O)c2ccc(Cn3cc(Br)cn3)s2)CC[N@@H+]1C ZINC000906796544 663971874 /nfs/dbraw/zinc/97/18/74/663971874.db2.gz AAEXNJOSPIXXFJ-WCQYABFASA-N 1 0 397.342 2.968 20 0 GFADRO C[NH+](C)Cc1ccnc(NC(=O)c2cc(Br)cn(C3CC3)c2=O)c1 ZINC000906907500 663981057 /nfs/dbraw/zinc/98/10/57/663981057.db2.gz OYJFWYOFAYGLAU-UHFFFAOYSA-N 1 0 391.269 2.655 20 0 GFADRO O=S(=O)(c1c[nH]c2ncc(Cl)cc12)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000906961263 663986898 /nfs/dbraw/zinc/98/68/98/663986898.db2.gz FJDNPZNZLKNRSX-AWEZNQCLSA-N 1 0 382.917 2.855 20 0 GFADRO CCc1cc(C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)ccc1Br ZINC000906998386 663990575 /nfs/dbraw/zinc/99/05/75/663990575.db2.gz OXNAXQJZHVTMRI-INIZCTEOSA-N 1 0 381.314 2.995 20 0 GFADRO Cc1cc(OCC(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)ccc1Br ZINC000906998323 663990588 /nfs/dbraw/zinc/99/05/88/663990588.db2.gz NZOIPABWPLIIHU-OAHLLOKOSA-N 1 0 397.313 2.506 20 0 GFADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3cc(Br)cn(C4CC4)c3=O)CC[C@@H]21 ZINC000907038717 663995581 /nfs/dbraw/zinc/99/55/81/663995581.db2.gz ULAZDMNLHSOZKV-WBMJQRKESA-N 1 0 394.313 2.502 20 0 GFADRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2cccn3ncc(Br)c23)C1 ZINC000907065564 663998895 /nfs/dbraw/zinc/99/88/95/663998895.db2.gz QFHYWSRSLPIRKG-WFASDCNBSA-N 1 0 377.286 2.653 20 0 GFADRO CN1Cc2ccccc2[C@@H](NC(=O)c2nscc2I)C1 ZINC000907136697 664005949 /nfs/dbraw/zinc/00/59/49/664005949.db2.gz MMIDANQCPCNTBQ-LBPRGKRZSA-N 1 0 399.257 2.664 20 0 GFADRO CC[N@@H+]1C[C@H](C)N(C(=O)c2cc(Br)cn(C3CC3)c2=O)C[C@@H]1C ZINC000907174081 664009075 /nfs/dbraw/zinc/00/90/75/664009075.db2.gz FMZFCBWUUIASJN-RYUDHWBXSA-N 1 0 382.302 2.500 20 0 GFADRO CC[C@@](O)(CCC(F)(F)F)CNS(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000907473528 664037908 /nfs/dbraw/zinc/03/79/08/664037908.db2.gz JDCQLJNXQIJTBD-OAHLLOKOSA-N 1 0 382.448 2.510 20 0 GFADRO CN(Cc1ccc(Br)c(F)c1)C(=O)c1ccnn1CC[NH+](C)C ZINC000907724926 664055770 /nfs/dbraw/zinc/05/57/70/664055770.db2.gz HACQBCPOCDNNGY-UHFFFAOYSA-N 1 0 383.265 2.619 20 0 GFADRO O=C(c1ccc(NC2=[NH+]CCC2)cc1)N1CCn2c(Br)cnc2C1 ZINC000907745150 664057984 /nfs/dbraw/zinc/05/79/84/664057984.db2.gz ITNOSJRWZWIUNX-UHFFFAOYSA-N 1 0 388.269 2.906 20 0 GFADRO O=C(c1cc(Br)ccc1C1CC1)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000908201411 664091702 /nfs/dbraw/zinc/09/17/02/664091702.db2.gz LTHMVAVGTHOBFK-GJZGRUSLSA-N 1 0 379.298 2.608 20 0 GFADRO C[C@@H]1[C@@H](NC(=O)c2cn(C)nc2Br)CC[N@@H+]1Cc1ccccc1 ZINC000908231724 664093604 /nfs/dbraw/zinc/09/36/04/664093604.db2.gz ZGXJOEPUUNFIMJ-DOMZBBRYSA-N 1 0 377.286 2.575 20 0 GFADRO C[C@H]1CN(C(=O)c2cc(Br)cn(C3CC3)c2=O)CC[N@@H+](C2CC2)C1 ZINC000908504304 664111110 /nfs/dbraw/zinc/11/11/10/664111110.db2.gz WATHUEFWDQUFQX-GFCCVEGCSA-N 1 0 394.313 2.502 20 0 GFADRO C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C(F)(F)c1ncccc1Br)C2 ZINC000908534264 664113039 /nfs/dbraw/zinc/11/30/39/664113039.db2.gz AKYWECYNTRADAF-OAHLLOKOSA-N 1 0 388.256 2.880 20 0 GFADRO C[C@@H](NC(=O)C1CN(C)CC[N@H+](C)C1)c1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC000908876716 664133563 /nfs/dbraw/zinc/13/35/63/664133563.db2.gz ZSRWXQYZCBSGLG-SNVBAGLBSA-N 1 0 384.311 2.540 20 0 GFADRO C[NH+](C)CCCC(C)(C)NC(=O)c1nscc1I ZINC000909021509 664141472 /nfs/dbraw/zinc/14/14/72/664141472.db2.gz WRPJILGZOXJZSY-UHFFFAOYSA-N 1 0 381.283 2.598 20 0 GFADRO CC(C)[NH+]1CCN(CCC(=O)NCCc2cccc(Br)c2)CC1 ZINC000909855125 664180844 /nfs/dbraw/zinc/18/08/44/664180844.db2.gz CDWSIDYZNOCJTM-UHFFFAOYSA-N 1 0 382.346 2.524 20 0 GFADRO COc1cc(OCC[NH+](C)C)ccc1NC(=O)C[C@@H](O)C(Cl)(Cl)Cl ZINC000910424636 664210488 /nfs/dbraw/zinc/21/04/88/664210488.db2.gz LVGAUVWATVQAJS-CYBMUJFWSA-N 1 0 399.702 2.695 20 0 GFADRO CC(C)[N@H+](CCO)CC1CCN(C(=O)c2ccc(Br)cc2O)CC1 ZINC000910867102 664230510 /nfs/dbraw/zinc/23/05/10/664230510.db2.gz SFUSFPZOIGYZBL-UHFFFAOYSA-N 1 0 399.329 2.710 20 0 GFADRO CCOP(=O)(CN(C)C(=O)C1CCC([NH+]2CCOCC2)CC1)OCC ZINC000911443320 664245570 /nfs/dbraw/zinc/24/55/70/664245570.db2.gz IPHLJTQLWPTVSO-UHFFFAOYSA-N 1 0 376.434 2.559 20 0 GFADRO O=C(C[C@@H]1C(=O)Nc2c1cccc2Br)N(C1CC1)C1CC[NH2+]CC1 ZINC000911676351 664252379 /nfs/dbraw/zinc/25/23/79/664252379.db2.gz HOESRZJGEHESDG-AWEZNQCLSA-N 1 0 392.297 2.618 20 0 GFADRO C[NH2+]CCCNC(=O)c1csc(-c2cc(Br)ccc2OC)n1 ZINC000911676201 664252456 /nfs/dbraw/zinc/25/24/56/664252456.db2.gz KQQGXORIXKIWFB-UHFFFAOYSA-N 1 0 384.299 2.921 20 0 GFADRO C[C@@H](NC(=O)[C@@H](C)c1ccc(I)cc1)[C@@H]1CCC[NH2+]C1 ZINC000911727641 664254483 /nfs/dbraw/zinc/25/44/83/664254483.db2.gz YLPRARCFEOUCGG-OUCADQQQSA-N 1 0 386.277 2.899 20 0 GFADRO C[C@H]([NH3+])C1CCN(C(=O)c2cnn(Cc3ccccc3)c2Br)CC1 ZINC000911753341 664255456 /nfs/dbraw/zinc/25/54/56/664255456.db2.gz NGDGMPITJSMQEW-ZDUSSCGKSA-N 1 0 391.313 2.893 20 0 GFADRO Cc1c(C(=O)N2CCC([C@H](C)[NH3+])CC2)nnn1-c1ccccc1Br ZINC000911753390 664255460 /nfs/dbraw/zinc/25/54/60/664255460.db2.gz OGQFPEUONRTBJZ-NSHDSACASA-N 1 0 392.301 2.538 20 0 GFADRO C[NH2+]C[C@@H]1CCN(C(=O)c2c(Cl)ccc(I)c2F)C1 ZINC000911775796 664256359 /nfs/dbraw/zinc/25/63/59/664256359.db2.gz WNSMNIDSGHSNBH-QMMMGPOBSA-N 1 0 396.631 2.765 20 0 GFADRO CN(C(=O)C[C@@H]1c2cc(Br)ccc2NC1=O)C1CCC([NH3+])CC1 ZINC000911866064 664259565 /nfs/dbraw/zinc/25/95/65/664259565.db2.gz ZMOBFYLCRXEAJO-ORHYLEIMSA-N 1 0 380.286 2.603 20 0 GFADRO CC[NH2+]CC1CCN(C(=O)C[C@@H]2C(=O)Nc3c2cccc3Br)CC1 ZINC000911863934 664259641 /nfs/dbraw/zinc/25/96/41/664259641.db2.gz LCBYHPZDIDRZRS-AWEZNQCLSA-N 1 0 394.313 2.723 20 0 GFADRO C[NH2+]C[C@H]1CCCN1C(=O)c1cc(C)n(-c2ccccc2Br)n1 ZINC000911868128 664259935 /nfs/dbraw/zinc/25/99/35/664259935.db2.gz MUGXBPMRRHSDPR-CYBMUJFWSA-N 1 0 377.286 2.767 20 0 GFADRO CO[C@@H](C(=O)N1CCC(OCCC[NH3+])CC1)c1ccc(Br)s1 ZINC000911874639 664260199 /nfs/dbraw/zinc/26/01/99/664260199.db2.gz CLNOGCBVCLIONM-CQSZACIVSA-N 1 0 391.331 2.555 20 0 GFADRO [NH3+]CCCOC1CCN(C(=O)c2cc(Br)cnc2C2CC2)CC1 ZINC000911874721 664260253 /nfs/dbraw/zinc/26/02/53/664260253.db2.gz DVHUXDFQUKSBIJ-UHFFFAOYSA-N 1 0 382.302 2.692 20 0 GFADRO C[C@@H](Sc1nc2ccccc2s1)C(=O)N(CCO)C1CC[NH+](C)CC1 ZINC000911941901 664262862 /nfs/dbraw/zinc/26/28/62/664262862.db2.gz XQZOFWBRPGPYGU-CYBMUJFWSA-N 1 0 379.551 2.692 20 0 GFADRO C[C@]1(C(=O)Nc2ncc(Cc3ccc(Br)cc3)s2)C[C@H](O)C[NH2+]1 ZINC000912168138 664272983 /nfs/dbraw/zinc/27/29/83/664272983.db2.gz DFOYOGZYWROHMT-BLLLJJGKSA-N 1 0 396.310 2.548 20 0 GFADRO C[C@H](c1ccccc1F)N(C)C(=O)c1cc(Br)cn(CC[NH3+])c1=O ZINC000912293102 664280164 /nfs/dbraw/zinc/28/01/64/664280164.db2.gz NUJZKURLWRTPSI-LLVKDONJSA-N 1 0 396.260 2.542 20 0 GFADRO COc1ccc(Br)cc1[C@H](N)C(=O)NCc1ccc2c(c1)CCO2 ZINC000912442707 664286913 /nfs/dbraw/zinc/28/69/13/664286913.db2.gz OYUVVUNSJTZUEM-KRWDZBQOSA-N 1 0 391.265 2.709 20 0 GFADRO CCN(C[C@@H]1CCOC1)C(=O)C1(c2ccc(Br)cc2)CC[NH2+]CC1 ZINC000912472869 664289579 /nfs/dbraw/zinc/28/95/79/664289579.db2.gz INACVEBRTINIBT-HNNXBMFYSA-N 1 0 395.341 2.955 20 0 GFADRO C[NH+](C)CCn1nccc1C(=O)Nc1cccc(-c2nnsc2Cl)c1 ZINC000912485432 664289948 /nfs/dbraw/zinc/28/99/48/664289948.db2.gz SIEIGZPLYGJCKF-UHFFFAOYSA-N 1 0 376.873 2.869 20 0 GFADRO CC(C)C[NH2+]C1(CO)CCN(C(=O)c2cc(Br)cs2)CC1 ZINC000912591365 664294189 /nfs/dbraw/zinc/29/41/89/664294189.db2.gz MKARCYRKFRQXCS-UHFFFAOYSA-N 1 0 375.332 2.723 20 0 GFADRO COc1ccc(C(=O)N2CCC(CO)([NH2+]CC(C)C)CC2)c(Br)c1 ZINC000912591032 664294221 /nfs/dbraw/zinc/29/42/21/664294221.db2.gz JWFBTEXBKNLUGC-UHFFFAOYSA-N 1 0 399.329 2.670 20 0 GFADRO Cn1ccnc1[C@@H](NC(=O)C[N@H+](C)C1CCC1)c1ccc(Br)cc1 ZINC000912678552 664296909 /nfs/dbraw/zinc/29/69/09/664296909.db2.gz KGRJABDKEKBNCD-KRWDZBQOSA-N 1 0 391.313 2.873 20 0 GFADRO C[C@H](C[NH+](C)C)[C@H]1CCCCN1C(=O)Cc1cc[nH]c(=O)c1Br ZINC000912808040 664303294 /nfs/dbraw/zinc/30/32/94/664303294.db2.gz SWCKZPORGZGDDZ-TZMCWYRMSA-N 1 0 384.318 2.671 20 0 GFADRO O=C(c1ccc(I)cc1F)N1CCC([NH+]2CCC2)CC1 ZINC000912872091 664307114 /nfs/dbraw/zinc/30/71/14/664307114.db2.gz NPAXSTZYZSUBPH-UHFFFAOYSA-N 1 0 388.224 2.741 20 0 GFADRO O=C(c1cnn(-c2cccc(Br)c2)c1)N1CC[C@H]([NH+]2CCC2)C1 ZINC000912918026 664310177 /nfs/dbraw/zinc/31/01/77/664310177.db2.gz SQTWHCJMRQMCKB-INIZCTEOSA-N 1 0 375.270 2.555 20 0 GFADRO O=C(CNC(=O)c1sc2ccccc2c1Cl)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000912925448 664310565 /nfs/dbraw/zinc/31/05/65/664310565.db2.gz KGNMRWISFIZJKA-GFCCVEGCSA-N 1 0 377.897 2.591 20 0 GFADRO O=C(c1ccc(Cl)c(I)c1)N1CC[C@H]([NH+]2CCC2)C1 ZINC000912923696 664310633 /nfs/dbraw/zinc/31/06/33/664310633.db2.gz ZMIHRJFSQDYVJI-NSHDSACASA-N 1 0 390.652 2.865 20 0 GFADRO C[NH+]1C[C@]2(C)CN(C(=O)c3cn4c(Br)cnc4s3)C[C@@]2(C)C1 ZINC000913277409 664330970 /nfs/dbraw/zinc/33/09/70/664330970.db2.gz TZJDUCXXWTWWPU-HUUCEWRRSA-N 1 0 383.315 2.572 20 0 GFADRO CN1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnn(-c2ccccc2)c1Br ZINC000913535293 664342689 /nfs/dbraw/zinc/34/26/89/664342689.db2.gz FRNUBFSEJKGYLA-OKILXGFUSA-N 1 0 375.270 2.553 20 0 GFADRO Cc1nn(-c2ccc(C(=O)NC34CC[NH+](CC3)C4)cc2)c(C)c1Br ZINC000913627288 664346744 /nfs/dbraw/zinc/34/67/44/664346744.db2.gz DOJRIVYTTNMEJP-UHFFFAOYSA-N 1 0 389.297 2.830 20 0 GFADRO Cc1cc(C(=O)NC23CC[NH+](CC2)C3)c(I)cc1Cl ZINC000913637052 664347174 /nfs/dbraw/zinc/34/71/74/664347174.db2.gz FBQNZZLVDNUWDM-UHFFFAOYSA-N 1 0 390.652 2.831 20 0 GFADRO C[NH+]1CCC(NC(=O)N2CCC[C@](O)(c3ccc(Br)cc3)C2)CC1 ZINC000913881671 664362986 /nfs/dbraw/zinc/36/29/86/664362986.db2.gz FTTTUEHWAWJIOF-GOSISDBHSA-N 1 0 396.329 2.536 20 0 GFADRO O=S(=O)(Cc1cccc(F)c1Br)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000913934827 664367026 /nfs/dbraw/zinc/36/70/26/664367026.db2.gz TUPHLTWUIUPZCZ-OLZOCXBDSA-N 1 0 391.306 2.634 20 0 GFADRO CC[N@H+](C)Cc1cccc(CNS(=O)(=O)c2occc2Br)c1 ZINC000913957720 664368883 /nfs/dbraw/zinc/36/88/83/664368883.db2.gz TURQTLSHWWNGTK-UHFFFAOYSA-N 1 0 387.299 2.972 20 0 GFADRO C[N@H+](CCCNC(=O)NCc1cnc(Br)cn1)C1CCCCC1 ZINC000914077347 664374937 /nfs/dbraw/zinc/37/49/37/664374937.db2.gz HMCVLTAPSPFFLO-UHFFFAOYSA-N 1 0 384.322 2.693 20 0 GFADRO C[C@H](CNC(=O)N1CCC[C@H]1c1ncc(Br)cn1)C[NH+]1CCCC1 ZINC000914243349 664389705 /nfs/dbraw/zinc/38/97/05/664389705.db2.gz JMCKQURZXLZBGW-HIFRSBDPSA-N 1 0 396.333 2.818 20 0 GFADRO C[N@H+]1CC=C(CNS(=O)(=O)Cc2cccc(Cl)c2Br)CC1 ZINC000914333222 664400572 /nfs/dbraw/zinc/40/05/72/664400572.db2.gz TVTKDBBNKODFAE-UHFFFAOYSA-N 1 0 393.734 2.784 20 0 GFADRO CC[NH+](CC)C[C@H](C)NC(=O)N1CCC[C@@H]1c1ncc(Br)cn1 ZINC000914411537 664408000 /nfs/dbraw/zinc/40/80/00/664408000.db2.gz JZXZGDKGLXRHOV-GXTWGEPZSA-N 1 0 384.322 2.816 20 0 GFADRO CC[NH+](CC)[C@@H](CNC(=O)NCc1cnc(Br)cn1)c1ccco1 ZINC000915077658 664420839 /nfs/dbraw/zinc/42/08/39/664420839.db2.gz APGYVQPFQPOIHP-ZDUSSCGKSA-N 1 0 396.289 2.714 20 0 GFADRO O=C(C1CC1)N1CCC([NH2+]Cc2ccccc2I)CC1 ZINC000915229210 664424603 /nfs/dbraw/zinc/42/46/03/664424603.db2.gz ZVGUXJQMOMKYJH-UHFFFAOYSA-N 1 0 384.261 2.782 20 0 GFADRO O=C(NCc1ccccc1Br)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000915262253 664425545 /nfs/dbraw/zinc/42/55/45/664425545.db2.gz QYFBACKEUPHGRB-HNNXBMFYSA-N 1 0 382.302 2.502 20 0 GFADRO CCN1CC[NH+](CCCCNC(=O)/C=C\c2ccc(Br)o2)CC1 ZINC000915267649 664425802 /nfs/dbraw/zinc/42/58/02/664425802.db2.gz OOMSFLVWGNLEKJ-VURMDHGXSA-N 1 0 384.318 2.589 20 0 GFADRO CC(C)[NH+]1CCN(C(=O)Nc2cc3c(cc2Br)OCCO3)CC1 ZINC000915319580 664427576 /nfs/dbraw/zinc/42/75/76/664427576.db2.gz JBBWXESAMRQWEW-UHFFFAOYSA-N 1 0 384.274 2.778 20 0 GFADRO C[N@@H+]1CCC[C@@]2(CCN(S(=O)(=O)c3cnc(-c4ccccc4)s3)C2)C1 ZINC000915893514 664443737 /nfs/dbraw/zinc/44/37/37/664443737.db2.gz XWXOEMSNAYBQDM-GOSISDBHSA-N 1 0 377.535 2.917 20 0 GFADRO COc1ccc(CNC(=O)NCc2cc(N(C)C)cc[nH+]2)cc1Br ZINC000916085213 664448846 /nfs/dbraw/zinc/44/88/46/664448846.db2.gz JNKJSGFCHNAHAV-UHFFFAOYSA-N 1 0 393.285 2.918 20 0 GFADRO C[NH+](C)CCOc1ccc(CCNC(=O)NCc2cnc(Cl)s2)cc1 ZINC000916807378 664471635 /nfs/dbraw/zinc/47/16/35/664471635.db2.gz GSZAFAMYHKTOKT-UHFFFAOYSA-N 1 0 382.917 2.779 20 0 GFADRO C[C@H](NC(=O)NC[C@H]1C[N@H+](C)CCN1C)c1cc(Cl)cc(Cl)c1F ZINC000917959207 664493297 /nfs/dbraw/zinc/49/32/97/664493297.db2.gz BOUZFTUEDDPFOM-JQWIXIFHSA-N 1 0 377.291 2.739 20 0 GFADRO C[N@H+](CCNC(=O)N1CCCC[C@H]1c1ncc(Br)cn1)C1CC1 ZINC000918180757 664496210 /nfs/dbraw/zinc/49/62/10/664496210.db2.gz NFOBFCXHJMVEMR-AWEZNQCLSA-N 1 0 382.306 2.570 20 0 GFADRO Cc1ccc(/C=C\C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)c(Br)c1 ZINC000918698993 664502904 /nfs/dbraw/zinc/50/29/04/664502904.db2.gz LTRFPAGXULVPHY-WLMCBFPDSA-N 1 0 394.357 2.770 20 0 GFADRO O=C(N[C@H]1CC[N@@H+](C2CC2)C1)N1CCC[C@@H]1c1cncc(Br)c1 ZINC000918891689 664506164 /nfs/dbraw/zinc/50/61/64/664506164.db2.gz ATQGJXYKIKZXKP-GOEBONIOSA-N 1 0 379.302 2.927 20 0 GFADRO Cc1n[nH]c(C(=O)NC[C@H](C)[N@@H+]2CCc3ccccc3C2)c1Br ZINC000919709849 664516923 /nfs/dbraw/zinc/51/69/23/664516923.db2.gz QTZVNVIDVSMFPN-NSHDSACASA-N 1 0 377.286 2.657 20 0 GFADRO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NS(=O)(=O)c3sc(C)cc3C)C2)[C@H]1C(C)C ZINC000920303222 664524635 /nfs/dbraw/zinc/52/46/35/664524635.db2.gz MLYBOFJKHADMAI-KONPQCLYSA-N 1 0 386.583 2.513 20 0 GFADRO O=S(=O)(Cc1ccccc1)NCC[NH2+]Cc1csc(Br)c1 ZINC000921198540 664538852 /nfs/dbraw/zinc/53/88/52/664538852.db2.gz RMJXBIBCDRKFLN-UHFFFAOYSA-N 1 0 389.340 2.720 20 0 GFADRO O=C(NCc1csc(-c2ccco2)n1)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000921506526 664551132 /nfs/dbraw/zinc/55/11/32/664551132.db2.gz HSZWZGHDALGQGC-ZIAGYGMSSA-N 1 0 378.523 2.782 20 0 GFADRO Cc1nn(C)c(C[NH2+]C[C@@H](O)COc2ccc(C(F)(F)F)cc2)c1Cl ZINC000921597902 664556983 /nfs/dbraw/zinc/55/69/83/664556983.db2.gz WCYVNIOLDKDNSU-GFCCVEGCSA-N 1 0 377.794 2.930 20 0 GFADRO C[N@H+](Cc1ccccc1)C1(CNS(=O)(=O)c2cccs2)CCOCC1 ZINC000921632689 664558399 /nfs/dbraw/zinc/55/83/99/664558399.db2.gz PCTQNAUVJZVUBV-UHFFFAOYSA-N 1 0 380.535 2.708 20 0 GFADRO Cc1cc(C[NH2+]C2(CO)CCOCC2)c(C)cc1I ZINC000921748718 664566436 /nfs/dbraw/zinc/56/64/36/664566436.db2.gz HIMQWYUNXYBTEK-UHFFFAOYSA-N 1 0 375.250 2.539 20 0 GFADRO Cc1cccc(CNC(=O)NC[C@@H]2CC[N@@H+]2C2CCOCC2)c1Br ZINC000922139802 664587488 /nfs/dbraw/zinc/58/74/88/664587488.db2.gz FDISCKJVHHJWAI-INIZCTEOSA-N 1 0 396.329 2.810 20 0 GFADRO CCn1c(C[NH2+]CC[C@@H](COC)OC)nc(Br)c1Br ZINC000922236611 664591233 /nfs/dbraw/zinc/59/12/33/664591233.db2.gz QYZPGHJETSPRGA-VIFPVBQESA-N 1 0 399.127 2.569 20 0 GFADRO CCn1c(C[NH2+][C@H]2C[C@@H](COC)C2)nc(Br)c1Br ZINC000922334783 664595094 /nfs/dbraw/zinc/59/50/94/664595094.db2.gz MUGJDWHAVDPGCV-DTORHVGOSA-N 1 0 381.112 2.943 20 0 GFADRO Cn1ncc(I)c1C[NH2+]CC1C[C@H]2CC[C@@H](C1)S2 ZINC000922420844 664600993 /nfs/dbraw/zinc/60/09/93/664600993.db2.gz MXOHYAUOAFTVRX-FGWVZKOKSA-N 1 0 377.295 2.789 20 0 GFADRO CCOc1cc(C[NH2+]CC[C@H]2CC(=O)N(C)C2)cc(Br)c1OC ZINC000922486660 664603544 /nfs/dbraw/zinc/60/35/44/664603544.db2.gz XWMYTTWCSPWQFI-LBPRGKRZSA-N 1 0 385.302 2.814 20 0 GFADRO CO[C@]1(C[NH2+]Cc2cnc(-c3ccc(C)c(C)c3)s2)CCS(=O)(=O)C1 ZINC000922617529 664608549 /nfs/dbraw/zinc/60/85/49/664608549.db2.gz PWJNLQZCGWCFEM-SFHVURJKSA-N 1 0 380.535 2.720 20 0 GFADRO Cn1cc(-c2ccc(C[NH2+]CCc3ccccc3S(C)(=O)=O)s2)cn1 ZINC000922680766 664610596 /nfs/dbraw/zinc/61/05/96/664610596.db2.gz HQLKPIPJZOHRHU-UHFFFAOYSA-N 1 0 375.519 2.884 20 0 GFADRO C[N@H+](Cc1ccccc1)C1(CNCc2nc(Br)c[nH]2)CCOCC1 ZINC000922741758 664613012 /nfs/dbraw/zinc/61/30/12/664613012.db2.gz AQXBKALBYBCRAL-UHFFFAOYSA-N 1 0 393.329 2.943 20 0 GFADRO Cc1ccc(Br)c(CNC(=O)NC[C@@H]2CC[N@@H+]2C2CCOCC2)c1 ZINC000922888144 664617612 /nfs/dbraw/zinc/61/76/12/664617612.db2.gz KDNJQSKFTPLYSW-INIZCTEOSA-N 1 0 396.329 2.810 20 0 GFADRO COC(=O)c1cc(Br)c(CN(C)[C@H]2CCC[NH2+]CC2)cc1OC ZINC000923335508 664628507 /nfs/dbraw/zinc/62/85/07/664628507.db2.gz QSXUVNKJXYPUIA-ZDUSSCGKSA-N 1 0 385.302 2.818 20 0 GFADRO O[C@H](COc1cc(Cl)ccc1Cl)CN1CC[NH2+]C[C@H]1c1cccnc1 ZINC000923349869 664628805 /nfs/dbraw/zinc/62/88/05/664628805.db2.gz XPVUIARZXUBRBV-RDJZCZTQSA-N 1 0 382.291 2.775 20 0 GFADRO O[C@H](COc1ccc(Cl)cc1Br)CN1CC[C@@]2(CCC[NH2+]2)C1 ZINC000923380595 664629184 /nfs/dbraw/zinc/62/91/84/664629184.db2.gz PUPOFFYCSDHVNR-BBRMVZONSA-N 1 0 389.721 2.670 20 0 GFADRO O[C@H](CN1CCC(n2ncc3c2C[NH2+]C3)CC1)c1cccc(Br)c1 ZINC000923382240 664629307 /nfs/dbraw/zinc/62/93/07/664629307.db2.gz BMIRWSUGFJCWGZ-GOSISDBHSA-N 1 0 391.313 2.619 20 0 GFADRO Clc1cnc(CN2CC[NH2+]CCN(Cc3ncc(Cl)s3)CC2)s1 ZINC000923395483 664629602 /nfs/dbraw/zinc/62/96/02/664629602.db2.gz RZZIADQOPMBAOS-UHFFFAOYSA-N 1 0 392.381 2.814 20 0 GFADRO FC(F)(F)SCCN1CC[NH2+]CCN(CCSC(F)(F)F)CC1 ZINC000923396047 664629610 /nfs/dbraw/zinc/62/96/10/664629610.db2.gz YPCSYARRSWAHSG-UHFFFAOYSA-N 1 0 385.443 2.700 20 0 GFADRO CC[NH+](CC)CCN(CC(C)C)C(=O)NCc1cnc(Br)cn1 ZINC000923532087 664632854 /nfs/dbraw/zinc/63/28/54/664632854.db2.gz ZIEHKNILKXFHKD-UHFFFAOYSA-N 1 0 386.338 2.749 20 0 GFADRO O=S(=O)(c1cnc(-c2ccccc2)s1)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000923642970 664634993 /nfs/dbraw/zinc/63/49/93/664634993.db2.gz CSFQGGFCDHQTSK-HOTGVXAUSA-N 1 0 377.535 2.963 20 0 GFADRO [NH3+]C[C@H]1CC2(CO1)CCN(S(=O)(=O)Cc1ccc(Cl)c(Cl)c1)CC2 ZINC000923686801 664635723 /nfs/dbraw/zinc/63/57/23/664635723.db2.gz GPKHOKHWRHMNMH-CYBMUJFWSA-N 1 0 393.336 2.653 20 0 GFADRO O=S(=O)(c1ccc(C(F)(F)C(F)(F)F)cc1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923718592 664636878 /nfs/dbraw/zinc/63/68/78/664636878.db2.gz DLTAPJXKOQTLGU-WDEREUQCSA-N 1 0 384.370 2.571 20 0 GFADRO [NH3+]C[C@@]1(c2ccccc2)C[C@H](NS(=O)(=O)c2c(Cl)ccnc2Cl)C1 ZINC000923742637 664637378 /nfs/dbraw/zinc/63/73/78/664637378.db2.gz VDTBGBDHWPVFBE-DRQUAOQDSA-N 1 0 386.304 2.726 20 0 GFADRO [NH3+]CC[C@@H]1Cc2ccccc2N(S(=O)(=O)c2onc(C3CC3)c2Cl)C1 ZINC000923744461 664637581 /nfs/dbraw/zinc/63/75/81/664637581.db2.gz HSIQRMPVXGDUFF-LLVKDONJSA-N 1 0 381.885 2.922 20 0 GFADRO C[NH+]1CCC(OCC(=O)OCCOc2cc(F)cc(Br)c2)CC1 ZINC000923788336 664638008 /nfs/dbraw/zinc/63/80/08/664638008.db2.gz JSILKLKGXOOXNN-UHFFFAOYSA-N 1 0 390.249 2.621 20 0 GFADRO CCC1([NH+]2CCC2)CCN(C(=O)c2ccc(Cl)c(S(C)(=O)=O)c2)CC1 ZINC000924389043 664654986 /nfs/dbraw/zinc/65/49/86/664654986.db2.gz WKJUOBBWHFDTCW-UHFFFAOYSA-N 1 0 384.929 2.834 20 0 GFADRO C[C@H]([NH2+]C[C@@H](O)COc1ccc2c(c1)OCO2)c1cccc(Br)n1 ZINC000924777391 664661598 /nfs/dbraw/zinc/66/15/98/664661598.db2.gz JWNATZAKVMSXAX-NWDGAFQWSA-N 1 0 395.253 2.663 20 0 GFADRO C[C@@H](c1nc(C(F)(F)F)cs1)N1C(=O)N[C@H](C[NH+]2CCCCC2)C1=O ZINC000924851809 664662800 /nfs/dbraw/zinc/66/28/00/664662800.db2.gz GOHURPCBBCZOMI-VHSXEESVSA-N 1 0 376.404 2.629 20 0 GFADRO CS(=O)(=O)CCC[NH2+][C@H](c1ccc(Br)cc1)c1cccnc1 ZINC000924952150 664664494 /nfs/dbraw/zinc/66/44/94/664664494.db2.gz UQIOPSJFHIEGSN-MRXNPFEDSA-N 1 0 383.311 2.958 20 0 GFADRO O=C(Nc1cc2c(cc1Cl)OCCO2)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000925144570 664667264 /nfs/dbraw/zinc/66/72/64/664667264.db2.gz UVVBVEWIBPUIJN-OCCSQVGLSA-N 1 0 383.901 2.813 20 0 GFADRO O=C(N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12)N1CC[C@]2(CC(F)(F)C2(F)F)C1 ZINC000925169118 664667922 /nfs/dbraw/zinc/66/79/22/664667922.db2.gz IZEXLEGJIUUOFF-DYEKYZERSA-N 1 0 381.439 2.642 20 0 GFADRO C[C@@H]([NH2+]CCCCCC(=O)OC(C)(C)C)C1CCN(S(C)(=O)=O)CC1 ZINC000925180579 664668191 /nfs/dbraw/zinc/66/81/91/664668191.db2.gz PRURTOWXKQVOHX-OAHLLOKOSA-N 1 0 376.563 2.538 20 0 GFADRO CN1C(=O)N(CC[N@@H+]2CCCOCC2)C(=O)[C@@H]1c1cccc(Cl)c1Cl ZINC000925351762 664670870 /nfs/dbraw/zinc/67/08/70/664670870.db2.gz YPIJTTDPVNMIDC-HNNXBMFYSA-N 1 0 386.279 2.651 20 0 GFADRO CN1CCO[C@@H](C[NH2+][C@@H](c2ccc(Br)cc2)c2cccnc2)C1 ZINC000925355435 664670936 /nfs/dbraw/zinc/67/09/36/664670936.db2.gz UOWJGMXYAUBUNF-ROUUACIJSA-N 1 0 376.298 2.854 20 0 GFADRO C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)Cc1cccnc1Br ZINC000925484846 664672651 /nfs/dbraw/zinc/67/26/51/664672651.db2.gz ITPHENUPPQTETI-ZDUSSCGKSA-N 1 0 375.270 2.519 20 0 GFADRO C[C@@H]([NH2+][C@@H]1CCN(c2ccc(Cl)cc2)C1)C1CCN(S(C)(=O)=O)CC1 ZINC000925703546 664674082 /nfs/dbraw/zinc/67/40/82/664674082.db2.gz HCYPKHLHSZGSEV-RHSMWYFYSA-N 1 0 385.961 2.568 20 0 GFADRO COc1ccc(I)c(NC(=O)NC[C@@H]2CC[C@H]([NH3+])C2)c1 ZINC000925992839 664678826 /nfs/dbraw/zinc/67/88/26/664678826.db2.gz NRZXYLQCADASNG-ZJUUUORDSA-N 1 0 389.237 2.549 20 0 GFADRO [NH3+]C[C@@H]1CC2(CO1)CCN(C(=O)Nc1cc(Br)ccc1F)CC2 ZINC000926028598 664679417 /nfs/dbraw/zinc/67/94/17/664679417.db2.gz UFXGIWJKWKNDMD-LBPRGKRZSA-N 1 0 386.265 2.950 20 0 GFADRO CCOC(=O)c1c(C)csc1NC(=O)N1CC[C@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000926075624 664680864 /nfs/dbraw/zinc/68/08/64/664680864.db2.gz XAZORXSGXKXAGX-UWVGGRQHSA-N 1 0 379.404 2.977 20 0 GFADRO [NH3+]CC[C@H]1CCN(C(=O)Nc2cccc(F)c2I)C1 ZINC000926080162 664681124 /nfs/dbraw/zinc/68/11/24/664681124.db2.gz QBKNBSXCWQFAFF-VIFPVBQESA-N 1 0 377.201 2.633 20 0 GFADRO COC(=O)c1cc(NC(=O)N2C[C@@H](C)[C@H](CC[NH3+])C2)ccc1Br ZINC000926084922 664681321 /nfs/dbraw/zinc/68/13/21/664681321.db2.gz OXSABJPWSXWASP-GHMZBOCLSA-N 1 0 384.274 2.684 20 0 GFADRO C[NH2+]CCN(C(=O)Nc1cc(Br)ccc1OCCOC)C(C)C ZINC000926086738 664681435 /nfs/dbraw/zinc/68/14/35/664681435.db2.gz WCNXWGKJZXCHBF-UHFFFAOYSA-N 1 0 388.306 2.936 20 0 GFADRO CC1(C)CN(C(=O)Nc2ccnn2Cc2ccc(Br)cc2)C[C@H]1[NH3+] ZINC000926099264 664681734 /nfs/dbraw/zinc/68/17/34/664681734.db2.gz VAUALZFIFHPBSL-CQSZACIVSA-N 1 0 392.301 2.895 20 0 GFADRO [NH3+][C@@]1(CO)CCCN(C(=O)Nc2cc(C(F)(F)F)ccc2Br)C1 ZINC000926106798 664681955 /nfs/dbraw/zinc/68/19/55/664681955.db2.gz XAKSYVFCWSIQDM-ZDUSSCGKSA-N 1 0 396.207 2.785 20 0 GFADRO COC(=O)c1cc(NC(=O)N2C[C@@H](C)[C@H](CC[NH3+])C2)c(C)cc1Br ZINC000926114604 664682089 /nfs/dbraw/zinc/68/20/89/664682089.db2.gz FIAVBJKGOLWTSA-VXGBXAGGSA-N 1 0 398.301 2.993 20 0 GFADRO CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NC(=O)c1ccsc1C(F)(F)F)C2 ZINC000926137266 664682622 /nfs/dbraw/zinc/68/26/22/664682622.db2.gz CAJIPKZYYVWEIT-BRXULGCHSA-N 1 0 376.444 2.976 20 0 GFADRO CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)c1cccc(Br)c1F)C2 ZINC000926152222 664683285 /nfs/dbraw/zinc/68/32/85/664683285.db2.gz GFCZVNZCSUMLFB-SZXPJGKVSA-N 1 0 399.304 2.798 20 0 GFADRO [NH3+][C@@H]1CN(N2CCO[C@@H](c3c(F)cccc3Cl)C2)CC[C@H]1C(F)(F)F ZINC000926171334 664683791 /nfs/dbraw/zinc/68/37/91/664683791.db2.gz OZZOUAKDWCUNGR-LERXQTSPSA-N 1 0 381.801 2.979 20 0 GFADRO [NH3+][C@@H]1CN(N2CCO[C@@H](c3c(F)cccc3Cl)C2)CC[C@@H]1C(F)(F)F ZINC000926171336 664683810 /nfs/dbraw/zinc/68/38/10/664683810.db2.gz OZZOUAKDWCUNGR-ZLKJLUDKSA-N 1 0 381.801 2.979 20 0 GFADRO Cc1c(C)c(NC(=O)N2C[C@H](C)[C@@H](C[NH3+])C2)ccc1I ZINC000926203983 664684844 /nfs/dbraw/zinc/68/48/44/664684844.db2.gz UMTYFCUFBUWHPV-CABZTGNLSA-N 1 0 387.265 2.967 20 0 GFADRO CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NC(=O)c3cc(Cl)ncc3Cl)C2)[C@H]1C(C)C ZINC000926244260 664685120 /nfs/dbraw/zinc/68/51/20/664685120.db2.gz NOUHYIMSCKYJKN-GZOSKZMVSA-N 1 0 386.323 2.988 20 0 GFADRO CC(=O)N[C@H](c1ccccc1F)[C@H](C)[NH2+]Cc1ccc(S(C)(=O)=O)s1 ZINC000926250424 664685507 /nfs/dbraw/zinc/68/55/07/664685507.db2.gz OOFJRUSWWXRIBU-GTNSWQLSSA-N 1 0 384.498 2.646 20 0 GFADRO COc1cc(Br)cc(CNC(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)c1 ZINC000926291672 664686756 /nfs/dbraw/zinc/68/67/56/664686756.db2.gz DAPHTNLSBGQNEJ-XJKSGUPXSA-N 1 0 382.302 2.693 20 0 GFADRO Cc1nc2c(o1)CCC[C@H]2[NH2+]CCCNS(=O)(=O)c1ccccc1Cl ZINC000926350236 664688239 /nfs/dbraw/zinc/68/82/39/664688239.db2.gz FJRXNYIJCZECKO-CQSZACIVSA-N 1 0 383.901 2.972 20 0 GFADRO CON1CCC([NH2+][C@H](C)c2ccc(Br)cc2OCCCO)CC1 ZINC000926467635 664690235 /nfs/dbraw/zinc/69/02/35/664690235.db2.gz UNFXTHQMRWTRIE-CYBMUJFWSA-N 1 0 387.318 2.887 20 0 GFADRO C[C@@H]([NH2+]CCOc1ccc(F)c(Cl)c1)C1CCN(S(C)(=O)=O)CC1 ZINC000926502139 664690816 /nfs/dbraw/zinc/69/08/16/664690816.db2.gz QVGXHYQNZNHBRC-GFCCVEGCSA-N 1 0 378.897 2.508 20 0 GFADRO Cc1occc1[C@@H](Cc1ccccc1Cl)[NH2+]C[C@@]1(O)CCS(=O)(=O)C1 ZINC000926507559 664691017 /nfs/dbraw/zinc/69/10/17/664691017.db2.gz FUCIPFRQRYVCHF-MSOLQXFVSA-N 1 0 383.897 2.664 20 0 GFADRO C[C@@H]([NH2+]CC[C@]1(C)CC1(Cl)Cl)c1ccc(S(=O)(=O)CC(N)=O)cc1 ZINC000926532113 664691620 /nfs/dbraw/zinc/69/16/20/664691620.db2.gz QUTNUCRXCIAANX-IAQYHMDHSA-N 1 0 393.336 2.570 20 0 GFADRO Cn1cc(I)c(C[NH2+][C@@H]2CCC[C@@H]2Cc2ccccn2)n1 ZINC000926539179 664691766 /nfs/dbraw/zinc/69/17/66/664691766.db2.gz FQQIPJSMXVOXJE-IUODEOHRSA-N 1 0 396.276 2.921 20 0 GFADRO Cc1ccc(C[C@H](CO)C[NH2+][C@H](C)c2cc(CO)on2)cc1Br ZINC000926537194 664691774 /nfs/dbraw/zinc/69/17/74/664691774.db2.gz FRPIODWKOOMCKJ-OCCSQVGLSA-N 1 0 383.286 2.740 20 0 GFADRO COc1ccc(Br)cc1C[C@@H](CO)C[NH2+][C@H](C)c1nonc1C ZINC000926543527 664692137 /nfs/dbraw/zinc/69/21/37/664692137.db2.gz RIMJSUGVWIKSMZ-ZYHUDNBSSA-N 1 0 384.274 2.651 20 0 GFADRO Cc1c(Br)cccc1C[C@H](CO)C[NH2+][C@H](C)C[C@@H]1CCC(=O)N1 ZINC000926545179 664692332 /nfs/dbraw/zinc/69/23/32/664692332.db2.gz UYRNATRBWFEDPJ-INWMFGNUSA-N 1 0 383.330 2.555 20 0 GFADRO Cc1nc([C@H]2C[C@H](O)[C@H](C[NH2+][C@H](C)c3nc(Br)ccc3F)C2)n[nH]1 ZINC000926734453 664695859 /nfs/dbraw/zinc/69/58/59/664695859.db2.gz PKUSKWIWLYZALY-GOONRYMUSA-N 1 0 398.280 2.615 20 0 GFADRO CCO[C@H](CNC(=O)N(C)Cc1cc(Br)ccc1F)C[NH+](C)C ZINC000926834354 664697666 /nfs/dbraw/zinc/69/76/66/664697666.db2.gz SGRWKUWSMJVQMN-CQSZACIVSA-N 1 0 390.297 2.696 20 0 GFADRO CN(Cc1ncc(Br)cn1)C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000926976639 664700614 /nfs/dbraw/zinc/70/06/14/664700614.db2.gz JRNHQVXTFCYPHG-OAHLLOKOSA-N 1 0 381.318 2.995 20 0 GFADRO Cn1nccc1[C@H](O)C[NH2+][C@@H](c1cccc(Br)c1)C1CCOCC1 ZINC000927126163 664704956 /nfs/dbraw/zinc/70/49/56/664704956.db2.gz DGLJHQQSSFSBFE-QZTJIDSGSA-N 1 0 394.313 2.974 20 0 GFADRO Cn1nnc2c1C[C@@H]([NH2+][C@H](c1ccc(Br)cc1)c1cncnc1)CC2 ZINC000927141409 664705068 /nfs/dbraw/zinc/70/50/68/664705068.db2.gz AHVQLUFJYLBSRJ-MAUKXSAKSA-N 1 0 399.296 2.604 20 0 GFADRO CN(Cc1cccc(Br)c1)C(=O)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000927648402 664713454 /nfs/dbraw/zinc/71/34/54/664713454.db2.gz KFFJQIDPLKKIEX-QGZVFWFLSA-N 1 0 396.329 2.844 20 0 GFADRO C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000927825631 664716321 /nfs/dbraw/zinc/71/63/21/664716321.db2.gz ICCCYHSYICMCOY-NXEZZACHSA-N 1 0 377.794 2.659 20 0 GFADRO Cc1cc(NC(=O)C(=O)NC[C@]23CCC[C@H]2[NH2+]CC3)cc(C)c1Br ZINC000927869306 664717008 /nfs/dbraw/zinc/71/70/08/664717008.db2.gz YMXMHZRILDHYMD-RDTXWAMCSA-N 1 0 394.313 2.653 20 0 GFADRO C[C@H]1C[C@@H](NC(=O)C(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)CCS1 ZINC000927872596 664717042 /nfs/dbraw/zinc/71/70/42/664717042.db2.gz MNUVZJIJMSKRLB-CABZTGNLSA-N 1 0 375.416 2.503 20 0 GFADRO COCCOc1ccc(C(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@@H]23)c(Cl)c1 ZINC000928089809 664722532 /nfs/dbraw/zinc/72/25/32/664722532.db2.gz KXDJLYUODJJZKA-SJORKVTESA-N 1 0 384.929 2.675 20 0 GFADRO O=C([C@@H]1CC[C@H]2CCCC[N@@H+]21)N1CCC[C@@H]1c1ncc(Br)cn1 ZINC000928358767 664730129 /nfs/dbraw/zinc/73/01/29/664730129.db2.gz UKKFEKLJPCWZHA-KFWWJZLASA-N 1 0 379.302 2.920 20 0 GFADRO C[N@@H+]1CC[C@H]1CNC(=O)CCc1ncc(-c2ccccc2Br)o1 ZINC000928565775 664735200 /nfs/dbraw/zinc/73/52/00/664735200.db2.gz MJRPAWJVALJIRY-LBPRGKRZSA-N 1 0 378.270 2.857 20 0 GFADRO C[NH+](C)CC[C@H](NC(=O)[C@H](O)c1cccc(Br)c1)c1cccnc1 ZINC000928828606 664740513 /nfs/dbraw/zinc/74/05/13/664740513.db2.gz SCVPYIMJXINNHG-DLBZAZTESA-N 1 0 392.297 2.687 20 0 GFADRO C[NH+](C)CC[C@@H](NC(=O)c1cc(O)cc(Br)c1)c1cccnc1 ZINC000928832738 664740636 /nfs/dbraw/zinc/74/06/36/664740636.db2.gz XDGFPDYOSGSOHK-MRXNPFEDSA-N 1 0 378.270 2.973 20 0 GFADRO Cc1cc(I)ccc1NC(=O)N1CC[C@@H]2C[N@@H+](C)C[C@H]21 ZINC000929147483 664747122 /nfs/dbraw/zinc/74/71/22/664747122.db2.gz OCUNZJINUOLUFH-BXUZGUMPSA-N 1 0 385.249 2.767 20 0 GFADRO O=C(c1cccc(Cl)c1Cl)N1CCN(C[C@@H]2C[C@@H]3COC[C@H]3O2)CC1 ZINC000929277078 664749219 /nfs/dbraw/zinc/74/92/19/664749219.db2.gz QARKNFIXDUDHAB-DVOMOZLQSA-N 1 0 385.291 2.555 20 0 GFADRO FC(F)(F)COCCC[NH+]1CCN(C[C@@H]2CC[C@@H](C(F)(F)F)O2)CC1 ZINC000929346342 664750863 /nfs/dbraw/zinc/75/08/63/664750863.db2.gz APVBTZDBOGWLRD-STQMWFEESA-N 1 0 378.357 2.683 20 0 GFADRO CC(C)(C)OC(=O)NC[C@@H]1CC[N@H+](C[C@@](C)(O)C(F)(F)C(F)(F)F)C1 ZINC000929461343 664752790 /nfs/dbraw/zinc/75/27/90/664752790.db2.gz HYXXVAOJMZDOIH-GXFFZTMASA-N 1 0 376.366 2.782 20 0 GFADRO C[C@H](c1cccc(S(N)(=O)=O)c1)[N@H+](C)C[C@@H]1CCC[C@H](C(F)(F)F)O1 ZINC000929963410 664760373 /nfs/dbraw/zinc/76/03/73/664760373.db2.gz JJRUAGSSGLBRTQ-OSAQELSMSA-N 1 0 380.432 2.827 20 0 GFADRO Cc1[nH]nc(Br)c1C(=O)NC[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000930012395 664761244 /nfs/dbraw/zinc/76/12/44/664761244.db2.gz ILGLJNAFCWBIDL-LLVKDONJSA-N 1 0 377.286 2.657 20 0 GFADRO Cc1cccc(CN2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)c1Br ZINC000930073225 664762145 /nfs/dbraw/zinc/76/21/45/664762145.db2.gz XHVQNIMVHLTTHT-MRXNPFEDSA-N 1 0 380.330 2.672 20 0 GFADRO CC(C)[N@H+](C)CCCNC(=O)C[C@H]1C(=O)Nc2c1cccc2Br ZINC000930183332 664764042 /nfs/dbraw/zinc/76/40/42/664764042.db2.gz CRLVHEQVJCJUGW-CYBMUJFWSA-N 1 0 382.302 2.721 20 0 GFADRO Cc1cc(C[N@@H+]2CC[C@]3(CNC(=O)C3)C2)c(C)cc1I ZINC000930265774 664765674 /nfs/dbraw/zinc/76/56/74/664765674.db2.gz HDMVIFRYMXITME-INIZCTEOSA-N 1 0 384.261 2.620 20 0 GFADRO O[C@@H](C[NH+]1CCC(c2cccc(Br)c2)CC1)C1(O)CCOCC1 ZINC000930315560 664766909 /nfs/dbraw/zinc/76/69/09/664766909.db2.gz PGGJJPBHQXMJSF-KRWDZBQOSA-N 1 0 384.314 2.531 20 0 GFADRO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1cc(Br)cn2ncnc12 ZINC000930358647 664768128 /nfs/dbraw/zinc/76/81/28/664768128.db2.gz LZEOXRJGACCRDD-GFCCVEGCSA-N 1 0 382.306 2.732 20 0 GFADRO Cn1cc(C2=NC[C@H](C[NH2+][C@@H](CCO)c3ccc(Cl)c(Cl)c3)O2)cn1 ZINC000930458785 664770973 /nfs/dbraw/zinc/77/09/73/664770973.db2.gz YVLFDSZFENDHRD-BBRMVZONSA-N 1 0 383.279 2.586 20 0 GFADRO Cn1cc(C2=NC[C@H](C[NH2+][C@H](CCO)c3ccc(Cl)c(Cl)c3)O2)cn1 ZINC000930458789 664771033 /nfs/dbraw/zinc/77/10/33/664771033.db2.gz YVLFDSZFENDHRD-XJKSGUPXSA-N 1 0 383.279 2.586 20 0 GFADRO COc1cc(NC(=O)N2CC[C@H]3C[N@H+](C)C[C@@H]32)cc(OC)c1Br ZINC000930712168 664776950 /nfs/dbraw/zinc/77/69/50/664776950.db2.gz SKXSPZGCDSLIJV-JQWIXIFHSA-N 1 0 384.274 2.634 20 0 GFADRO Cc1ccc(I)cc1NC(=O)N1CC[C@@H]2C[N@@H+](C)C[C@H]21 ZINC000930897306 664780405 /nfs/dbraw/zinc/78/04/05/664780405.db2.gz PWIUDEKOSSOBIF-BXUZGUMPSA-N 1 0 385.249 2.767 20 0 GFADRO COc1cc(OC)c(NC(=O)N2C[C@@H]3C[N@H+](C)C[C@]3(C)C2)cc1Br ZINC000930977111 664782207 /nfs/dbraw/zinc/78/22/07/664782207.db2.gz YZYOFNLGVVLWGJ-APPDUMDISA-N 1 0 398.301 2.882 20 0 GFADRO COC(=O)c1cccc(NC(=O)N(C)[C@@H]2CCC[N@H+](C)C2)c1Br ZINC000931087691 664785148 /nfs/dbraw/zinc/78/51/48/664785148.db2.gz QPVVPBDXTQSLJP-LLVKDONJSA-N 1 0 384.274 2.794 20 0 GFADRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)Nc1ccc2nccnc2c1Br ZINC000931390656 664793570 /nfs/dbraw/zinc/79/35/70/664793570.db2.gz WRSDQYJGMQKPBI-QMTHXVAHSA-N 1 0 390.285 2.997 20 0 GFADRO COC(=O)[C@@H](c1ccc(Cl)cc1Cl)N1CCC(O)(C[NH+](C)C)CC1 ZINC000931481032 664796182 /nfs/dbraw/zinc/79/61/82/664796182.db2.gz HVYZVWRHEHTHEY-OAHLLOKOSA-N 1 0 375.296 2.596 20 0 GFADRO COC(=O)[C@@H](c1cccc(Br)c1)N1CCc2[nH+]ccc(N)c2C1 ZINC000931514593 664797107 /nfs/dbraw/zinc/79/71/07/664797107.db2.gz CDCAEKOCRAFNKR-MRXNPFEDSA-N 1 0 376.254 2.699 20 0 GFADRO O[C@@H](C[N@@H+]1CC[C@@H](O)[C@@H](O)C1)c1ccc(-c2ccc(Br)cc2)cc1 ZINC000931550431 664798308 /nfs/dbraw/zinc/79/83/08/664798308.db2.gz AFXIQSYZAXKIMC-QYZOEREBSA-N 1 0 392.293 2.577 20 0 GFADRO C[C@@]1(c2ccc(C(F)(F)F)cc2)CCC[N@@H+]1CC1CN(S(C)(=O)=O)C1 ZINC000931553183 664798327 /nfs/dbraw/zinc/79/83/27/664798327.db2.gz GIWYMVVENGUHMT-INIZCTEOSA-N 1 0 376.444 2.908 20 0 GFADRO O=C(NC[C@@H]1CC[N@@H+]1C1CCOCC1)Nc1nc2ccc(Cl)nc2s1 ZINC000931850576 664805919 /nfs/dbraw/zinc/80/59/19/664805919.db2.gz YSAFBXFSYARJHW-NSHDSACASA-N 1 0 381.889 2.720 20 0 GFADRO C[C@]1([C@@H]2CCC[N@H+](Cc3cn4cc(Br)ccc4n3)C2)COC(=O)N1 ZINC000932027517 664809205 /nfs/dbraw/zinc/80/92/05/664809205.db2.gz QJGDHBSQIZJNOH-SJKOYZFVSA-N 1 0 393.285 2.807 20 0 GFADRO C[C@@H]([NH2+][C@H]1CCOc2ccc(Br)cc21)C(=O)NC[C@@H]1CCCO1 ZINC000932207531 664813623 /nfs/dbraw/zinc/81/36/23/664813623.db2.gz LFKZKZOZRSQFFA-ZLDLUXBVSA-N 1 0 383.286 2.546 20 0 GFADRO Cc1ccc(Br)c(C(=O)N(CC[NH+](C)C)Cc2ccccn2)n1 ZINC000932211719 664813953 /nfs/dbraw/zinc/81/39/53/664813953.db2.gz SBXCKHZWNJKVJN-UHFFFAOYSA-N 1 0 377.286 2.752 20 0 GFADRO CC[NH+]1CCN([C@H](C)CNC(=O)c2c(F)ccc(Br)c2C)CC1 ZINC000932701590 664832235 /nfs/dbraw/zinc/83/22/35/664832235.db2.gz DXPXTTZMMWQBHH-GFCCVEGCSA-N 1 0 386.309 2.652 20 0 GFADRO C[NH+](C)CC1CCN(C(=O)C[C@@H]2C(=O)Nc3ccc(Br)cc32)CC1 ZINC000932712898 664832381 /nfs/dbraw/zinc/83/23/81/664832381.db2.gz PWSHHKKPCXXWRO-HNNXBMFYSA-N 1 0 394.313 2.675 20 0 GFADRO C[NH+](C)CC1CCN(C(=O)C[C@H]2C(=O)Nc3ccc(Br)cc32)CC1 ZINC000932712900 664832443 /nfs/dbraw/zinc/83/24/43/664832443.db2.gz PWSHHKKPCXXWRO-OAHLLOKOSA-N 1 0 394.313 2.675 20 0 GFADRO CC(C)[C@H](C[NH+](C)C)NC(=O)C[C@@H]1C(=O)Nc2ccc(Br)cc21 ZINC000932712439 664832447 /nfs/dbraw/zinc/83/24/47/664832447.db2.gz IYQNYRAUAQUCCE-ZFWWWQNUSA-N 1 0 382.302 2.577 20 0 GFADRO CC(C)[C@@H](C[NH+](C)C)NC(=O)C[C@H]1C(=O)Nc2c1cccc2Br ZINC000932714087 664832722 /nfs/dbraw/zinc/83/27/22/664832722.db2.gz XESUWOULLNDNOU-TZMCWYRMSA-N 1 0 382.302 2.577 20 0 GFADRO O=C1NCCC2(CC[NH+](C[C@H](O)COc3cc(Cl)ccc3Cl)CC2)O1 ZINC000932767261 664836032 /nfs/dbraw/zinc/83/60/32/664836032.db2.gz ODBQGXWNSJNHGT-ZDUSSCGKSA-N 1 0 389.279 2.698 20 0 GFADRO O[C@]1(c2ccc(Br)cc2)CCC[N@H+](C[C@@H]2C[C@@H]3COC[C@H]3O2)C1 ZINC000932813649 664839793 /nfs/dbraw/zinc/83/97/93/664839793.db2.gz BNZLBAMHODFNQK-BVPBIZIASA-N 1 0 382.298 2.536 20 0 GFADRO O=C1NC[C@H](O)CC12CC[NH+]([C@H]1CCCc3ccc(Br)cc31)CC2 ZINC000932835578 664841404 /nfs/dbraw/zinc/84/14/04/664841404.db2.gz VYESMJDSYFYOFM-WBVHZDCISA-N 1 0 393.325 2.790 20 0 GFADRO O=C(c1cc(Br)cn2ncnc12)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000933262122 664853656 /nfs/dbraw/zinc/85/36/56/664853656.db2.gz MFZQHTIREBEMRR-AWEZNQCLSA-N 1 0 392.301 2.582 20 0 GFADRO Cc1[nH]nc(Br)c1C(=O)Nc1ccc(C)cc1OCC[NH+](C)C ZINC000933274770 664854144 /nfs/dbraw/zinc/85/41/44/664854144.db2.gz GWHFOSYLUMLMOV-UHFFFAOYSA-N 1 0 381.274 2.982 20 0 GFADRO CN(C)CC[N@H+](C)CCCNC(=O)Nc1c(F)ccc(Br)c1F ZINC000933302428 664857344 /nfs/dbraw/zinc/85/73/44/664857344.db2.gz XROMDLUDRSJBRG-UHFFFAOYSA-N 1 0 393.276 2.732 20 0 GFADRO O=C(c1ccc2c(Br)cnn2c1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000933335147 664859725 /nfs/dbraw/zinc/85/97/25/664859725.db2.gz UUCWWXDCYHKANR-CYBMUJFWSA-N 1 0 377.286 2.655 20 0 GFADRO C[C@@H]1C[C@@H](N(C)C(=O)C[C@@H]2C(=O)Nc3c2cccc3Br)CC[N@@H+]1C ZINC000933440368 664864467 /nfs/dbraw/zinc/86/44/67/664864467.db2.gz DAELYNVFOWJWPB-DYEKYZERSA-N 1 0 394.313 2.816 20 0 GFADRO C[C@@](CO)(Cc1ccc(Cl)cc1)[NH2+]CC(=O)N1CCc2sccc2C1 ZINC000933449452 664865056 /nfs/dbraw/zinc/86/50/56/664865056.db2.gz OQTLDLIZFGDIFP-IBGZPJMESA-N 1 0 378.925 2.870 20 0 GFADRO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2ccnc(Br)c2)cc1OC ZINC000933450318 664865295 /nfs/dbraw/zinc/86/52/95/664865295.db2.gz SARNWFNOSFQOAW-SFHVURJKSA-N 1 0 395.297 2.945 20 0 GFADRO CC[NH+](CC)[C@@H]1CCN(C(=O)C[C@@H]2C(=O)Nc3ccc(Br)cc32)C1 ZINC000933795138 664878078 /nfs/dbraw/zinc/87/80/78/664878078.db2.gz VNOKORBLMZPEQE-HIFRSBDPSA-N 1 0 394.313 2.818 20 0 GFADRO CCOC(=O)C1([C@H](C)[NH2+][C@@H](C)c2ncc(Br)cn2)CCOCC1 ZINC000933883683 664879761 /nfs/dbraw/zinc/87/97/61/664879761.db2.gz KIEHNQHLJGLIKM-RYUDHWBXSA-N 1 0 386.290 2.638 20 0 GFADRO COCCOc1ccc(NC(=O)NCC2=CC[N@H+](C)CC2)cc1Br ZINC000933980893 664883703 /nfs/dbraw/zinc/88/37/03/664883703.db2.gz MJMNTRXRSHIKLD-UHFFFAOYSA-N 1 0 398.301 2.858 20 0 GFADRO CCO[C@@H](CNC(=O)Nc1nc2ccc3scnc3c2s1)C[NH+](C)C ZINC000934009535 664886808 /nfs/dbraw/zinc/88/68/08/664886808.db2.gz YKPXVFRTPFRBCT-JTQLQIEISA-N 1 0 379.511 2.994 20 0 GFADRO COCC[N@@H+]1CC[C@@H](NC(=O)Nc2nc3ccc4scnc4c3s2)C1 ZINC000934021364 664887443 /nfs/dbraw/zinc/88/74/43/664887443.db2.gz DVJLTXGPVOZZJK-SNVBAGLBSA-N 1 0 377.495 2.748 20 0 GFADRO C[NH+](C)Cc1ccnc(NC(=O)c2nc(C3CC3)ncc2Br)c1 ZINC000934160040 664891145 /nfs/dbraw/zinc/89/11/45/664891145.db2.gz MKMMLDRVLFBUCB-UHFFFAOYSA-N 1 0 376.258 2.825 20 0 GFADRO CCCCC1([NH2+]CC(=O)N(Cc2cccs2)[C@H]2CCS(=O)(=O)C2)CC1 ZINC000934210630 664892403 /nfs/dbraw/zinc/89/24/03/664892403.db2.gz RXHRQSCFWUERTK-HNNXBMFYSA-N 1 0 384.567 2.576 20 0 GFADRO O=C(CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2CCO)c1ccc(Br)cc1 ZINC000934270575 664896628 /nfs/dbraw/zinc/89/66/28/664896628.db2.gz XAUAEAJWHCXGBR-QZTJIDSGSA-N 1 0 395.341 2.943 20 0 GFADRO C[C@@H](NC(=O)C[NH2+][C@H]1CCOC12CCOCC2)c1ccc(Br)cc1 ZINC000934411201 664906498 /nfs/dbraw/zinc/90/64/98/664906498.db2.gz WDWXEEVTWXUNFZ-CJNGLKHVSA-N 1 0 397.313 2.554 20 0 GFADRO CCc1ccc(Br)cc1C(=O)NCC1(O)CC[NH+](C(C)C)CC1 ZINC000934734379 664916181 /nfs/dbraw/zinc/91/61/81/664916181.db2.gz FJHFHRQXNNIKDS-UHFFFAOYSA-N 1 0 383.330 2.977 20 0 GFADRO CN(C)[S@@](C)(=O)=NCC1CC[NH+](C[C@@H](O)c2ccc(Cl)c(F)c2)CC1 ZINC000934753414 664918857 /nfs/dbraw/zinc/91/88/57/664918857.db2.gz XJUQPXDCCDDMAT-NSYGIPOTSA-N 1 0 391.940 2.799 20 0 GFADRO COC(=O)c1cc(C[NH+]2CCC(CN=[S@@](C)(=O)N(C)C)CC2)c(C)s1 ZINC000934761168 664919451 /nfs/dbraw/zinc/91/94/51/664919451.db2.gz WEYORFFBXVGDLZ-RUZDIDTESA-N 1 0 387.571 2.630 20 0 GFADRO OC[C@H]([NH2+]C[C@H](O)c1ccccc1)c1ccccc1I ZINC000934826796 664924622 /nfs/dbraw/zinc/92/46/22/664924622.db2.gz NSSLUTHXBHMDFT-HOTGVXAUSA-N 1 0 383.229 2.648 20 0 GFADRO Cc1cccc([C@@H](O)C[NH2+][C@@H](CO)c2ccccc2I)c1 ZINC000934827215 664924931 /nfs/dbraw/zinc/92/49/31/664924931.db2.gz SIPYCVNVIVBMGX-IRXDYDNUSA-N 1 0 397.256 2.956 20 0 GFADRO OC[C@@H]([NH2+]C[C@@H](O)c1ccccc1)c1ccccc1I ZINC000934828199 664925704 /nfs/dbraw/zinc/92/57/04/664925704.db2.gz NSSLUTHXBHMDFT-HZPDHXFCSA-N 1 0 383.229 2.648 20 0 GFADRO Cn1c(C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)cc2cc(Br)cnc21 ZINC000934951509 664931311 /nfs/dbraw/zinc/93/13/11/664931311.db2.gz OXRKGDRWQXMSAT-DOMZBBRYSA-N 1 0 391.313 2.892 20 0 GFADRO C[N@H+](CCCO)C1CCN(C(=O)c2cc(F)cc(Br)c2F)CC1 ZINC000935108098 664940143 /nfs/dbraw/zinc/94/01/43/664940143.db2.gz SMWXRXCFNSCVNN-UHFFFAOYSA-N 1 0 391.256 2.646 20 0 GFADRO C[N@@H+]1CCCC12CCN(C(=O)c1ccc3c(Br)cnn3c1)CC2 ZINC000935217559 664946623 /nfs/dbraw/zinc/94/66/23/664946623.db2.gz KSSCPWSCMDHKAN-UHFFFAOYSA-N 1 0 377.286 2.797 20 0 GFADRO CN(CCC[NH+]1CCCC1)C(=O)C[C@@H]1C(=O)Nc2c1cccc2Br ZINC000935799473 664989752 /nfs/dbraw/zinc/98/97/52/664989752.db2.gz YZTKGZANAMXEHH-AWEZNQCLSA-N 1 0 394.313 2.819 20 0 GFADRO CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C)[C@H](NC(=O)c3cc(Cl)cs3)C2)CC[N@@H+]1C ZINC000949535568 665009947 /nfs/dbraw/zinc/00/99/47/665009947.db2.gz CQJBSNBCXUGZIQ-FAAHXZRKSA-N 1 0 383.945 2.709 20 0 GFADRO CC[C@@H]1[C@@H](C(=O)N[C@H]2CCN(C(=O)c3csc(Cl)c3)[C@@H]2C)CC[N@@H+]1C ZINC000988333305 665020514 /nfs/dbraw/zinc/02/05/14/665020514.db2.gz SFWJQYIKZLVBFR-UQOMUDLDSA-N 1 0 383.945 2.851 20 0 GFADRO C[C@@H]1[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2cc(Cl)cs2)C3)CC[N@@H+]1C ZINC000996387839 665030920 /nfs/dbraw/zinc/03/09/20/665030920.db2.gz KTHBBPXTJBIMQW-OLOXDWRXSA-N 1 0 381.929 2.603 20 0 GFADRO C[N@H+](CC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cscc1Cl)C2)C1CCC1 ZINC000997468329 665036438 /nfs/dbraw/zinc/03/64/38/665036438.db2.gz UCNNORWIKMCCDV-KCXAZCMYSA-N 1 0 381.929 2.748 20 0 GFADRO C[C@H]1CC[N@H+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)c2cscc2Cl)C1 ZINC001000486227 665046904 /nfs/dbraw/zinc/04/69/04/665046904.db2.gz UDQSTCZRIIDZOB-VZAMPYOESA-N 1 0 381.929 2.605 20 0 GFADRO C[C@@H]1CC[N@H+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)c2csc(Cl)c2)C1 ZINC001000485820 665046914 /nfs/dbraw/zinc/04/69/14/665046914.db2.gz RNLAMCCFXTXOTE-RZFFKMDDSA-N 1 0 381.929 2.605 20 0 GFADRO C[NH+]1CCC(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ccc(Cl)s2)C3)CC1 ZINC001000587141 665047686 /nfs/dbraw/zinc/04/76/86/665047686.db2.gz XMMDIODEZNYNEB-RDBSUJKOSA-N 1 0 381.929 2.605 20 0 GFADRO O=C(NCC1CC[NH+](CC[C@@H]2CC2(Cl)Cl)CC1)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001001865866 665053061 /nfs/dbraw/zinc/05/30/61/665053061.db2.gz FOVZPVFYOPPGEI-FPCVCCKLSA-N 1 0 375.340 2.966 20 0 GFADRO C[N@@H+]1CC[C@@H](CC(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cc(Cl)cs2)C3)C1 ZINC001002613670 665055444 /nfs/dbraw/zinc/05/54/44/665055444.db2.gz LZADNMCQLFNWHS-MYPMTAMASA-N 1 0 381.929 2.605 20 0 GFADRO C[N@H+](CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1csc(Cl)c1)C2)C1CCC1 ZINC001002614351 665055528 /nfs/dbraw/zinc/05/55/28/665055528.db2.gz JEWAIOKQSMKYFV-KFWWJZLASA-N 1 0 381.929 2.748 20 0 GFADRO C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2cscc2Cl)C1 ZINC001006289834 665069924 /nfs/dbraw/zinc/06/99/24/665069924.db2.gz UDQSTCZRIIDZOB-BHTHQVBYSA-N 1 0 381.929 2.605 20 0 GFADRO C[C@H]1CCC[N@@H+]1CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(Cl)s1)C2 ZINC001006402612 665070121 /nfs/dbraw/zinc/07/01/21/665070121.db2.gz FSFLEAWBRVPIGG-DGAVXFQQSA-N 1 0 381.929 2.748 20 0 GFADRO C[N@@H+]1CC[C@@H](CC(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ccc(Cl)s2)C3)C1 ZINC001006403042 665070308 /nfs/dbraw/zinc/07/03/08/665070308.db2.gz JYZLQVVSLQBKKO-DGAVXFQQSA-N 1 0 381.929 2.605 20 0 GFADRO O=C([C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)N1C[C@@H]2C[N@H+](Cc3ccc(Cl)s3)C[C@@H]2C1 ZINC001048944332 665077254 /nfs/dbraw/zinc/07/72/54/665077254.db2.gz TYFLJYWWULTUMO-CZXAMWOSSA-N 1 0 378.925 2.715 20 0 GFADRO CC[NH+]1CCN([C@H](C)CNC(=O)CCOc2cccc(Cl)c2Cl)CC1 ZINC000120872364 677398018 /nfs/dbraw/zinc/39/80/18/677398018.db2.gz PWUFXVHIFVKQTH-CQSZACIVSA-N 1 0 388.339 2.905 20 0 GFADRO Cc1noc(C)c1C[NH2+]CCOc1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000121653996 677399847 /nfs/dbraw/zinc/39/98/47/677399847.db2.gz OAZMGQBBVJOFAI-UHFFFAOYSA-N 1 0 378.372 2.754 20 0 GFADRO C[C@@]1(CNS(=O)(=O)c2ccc(Cl)nc2)CC[N@H+](Cc2ccccc2)C1 ZINC000386455050 677407575 /nfs/dbraw/zinc/40/75/75/677407575.db2.gz RWOGPPPONOWSAC-SFHVURJKSA-N 1 0 379.913 2.926 20 0 GFADRO CCOC(=O)N1CCC([NH2+]C[C@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000392232382 677409590 /nfs/dbraw/zinc/40/95/90/677409590.db2.gz BGHCQTWWSQRMBZ-AWEZNQCLSA-N 1 0 391.295 2.944 20 0 GFADRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NS(=O)(=O)c1cccnc1Cl ZINC000398162074 677412177 /nfs/dbraw/zinc/41/21/77/677412177.db2.gz QWXCDJMTCCVOIR-HOCLYGCPSA-N 1 0 379.913 2.924 20 0 GFADRO C[N@H+](CCOc1ccc(Br)cc1)[C@@H]1CCN(C2CCOCC2)C1=O ZINC000476664888 677673107 /nfs/dbraw/zinc/67/31/07/677673107.db2.gz QLXKQQZXHNISBF-QGZVFWFLSA-N 1 0 397.313 2.540 20 0 GFADRO C[C@@H]1CN(C(=O)Nc2nc3ccsc3s2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000534266458 677673286 /nfs/dbraw/zinc/67/32/86/677673286.db2.gz HBUQVALWLRYJRH-TZMCWYRMSA-N 1 0 379.555 2.848 20 0 GFADRO OC[C@H]1CC[N@H+](Cc2c(-c3ccc(Cl)cc3)nc3sccn23)C[C@H]1O ZINC000580252505 677673968 /nfs/dbraw/zinc/67/39/68/677673968.db2.gz AGRNGKFYBCZFFI-CZUORRHYSA-N 1 0 377.897 2.891 20 0 GFADRO CS(=O)(=O)c1cc(C(F)(F)N2CCC3(CCCC[NH2+]3)CC2)cnc1Cl ZINC001164387231 718804087 /nfs/dbraw/zinc/80/40/87/718804087.db2.gz KAVVKUOTLSKBCM-UHFFFAOYSA-N 1 0 393.887 2.796 20 0 GFADRO FC(F)(c1cc(-c2ccco2)nnc1Cl)N1CCO[C@H]2C[NH2+]CC[C@@H]2C1 ZINC001164408635 718864366 /nfs/dbraw/zinc/86/43/66/718864366.db2.gz MXFVVDGZVCCSHN-ABAIWWIYSA-N 1 0 384.814 2.750 20 0 GFADRO FC(F)(c1cc(Cl)nc(-c2ccccn2)n1)N1CCO[C@H]2C[NH2+]CC[C@@H]2C1 ZINC001164409500 718864681 /nfs/dbraw/zinc/86/46/81/718864681.db2.gz QUQAWHZGNWLXFV-OCCSQVGLSA-N 1 0 395.841 2.552 20 0 GFADRO FC(F)(Sc1ccc(Cl)nc1)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001164416576 718885726 /nfs/dbraw/zinc/88/57/26/718885726.db2.gz ZSJSIHPETZPGEG-UHFFFAOYSA-N 1 0 386.859 2.563 20 0 GFADRO COC(=O)c1cc2c(N3CCC[C@@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)[nH]cnc-2n1 ZINC001164628481 719060926 /nfs/dbraw/zinc/06/09/26/719060926.db2.gz RZCCWQCCLHQQFI-APWZRJJASA-N 1 0 391.475 2.797 20 0 GFADRO CNC(=O)c1cc(Cl)nc(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)n1 ZINC001164630878 719111779 /nfs/dbraw/zinc/11/17/79/719111779.db2.gz XCXRMHYXMZQVTF-NVXWUHKLSA-N 1 0 385.899 2.590 20 0 GFADRO C[C@@H]1CN(c2ncccc2C(=O)NCCSCc2ccco2)[C@@H](C)C[N@@H+]1C ZINC001164641628 719216053 /nfs/dbraw/zinc/21/60/53/719216053.db2.gz USTBEGBVXITBDA-CVEARBPZSA-N 1 0 388.537 2.867 20 0 GFADRO CSCc1nc2sc3c(c2c(N2C[C@@H]4OCC[N@H+](C)[C@H]4C2)n1)CCCC3 ZINC001164674361 719442530 /nfs/dbraw/zinc/44/25/30/719442530.db2.gz WLDXCSCZVDZBKN-KBPBESRZSA-N 1 0 390.578 2.952 20 0 GFADRO CSCc1nc2sc3c(c2c(N2C[C@H]4OCC[N@H+](C)[C@@H]4C2)n1)CCCC3 ZINC001164674368 719443104 /nfs/dbraw/zinc/44/31/04/719443104.db2.gz WLDXCSCZVDZBKN-ZIAGYGMSSA-N 1 0 390.578 2.952 20 0 GFADRO CC(C)N(C)Cc1nn(-c2nc(Cl)nc3c2CSCC3)c2c1CC[NH2+]C2 ZINC001164684081 719607531 /nfs/dbraw/zinc/60/75/31/719607531.db2.gz MDGWJULXUKMMAT-UHFFFAOYSA-N 1 0 392.960 2.591 20 0 GFADRO CNC(=O)C[N@@H+]1CCCC12CCN(C(F)(F)c1cnc(Cl)c(F)c1)CC2 ZINC001164685310 719716201 /nfs/dbraw/zinc/71/62/01/719716201.db2.gz UVJSCPMOMDHPRC-UHFFFAOYSA-N 1 0 390.837 2.600 20 0 GFADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@H]3OCCN(c4ncccn4)[C@@H]3C2)nc1 ZINC001164691499 719801517 /nfs/dbraw/zinc/80/15/17/719801517.db2.gz IGIATOVLEUGWSW-VAMGGRTRSA-N 1 0 394.523 2.513 20 0 GFADRO c1csc(C[N@@H+]2CCOC3(CCN(c4ncnc5cnccc54)CC3)C2)c1 ZINC001164695281 719888487 /nfs/dbraw/zinc/88/84/87/719888487.db2.gz LEUABNICZPFGFR-UHFFFAOYSA-N 1 0 381.505 2.958 20 0 GFADRO c1csc(C[N@@H+]2CCOC3(CCN(c4ncc5c(n4)CCCN5)CC3)C2)c1 ZINC001164696172 719892141 /nfs/dbraw/zinc/89/21/41/719892141.db2.gz AJZOYKHTIUDVKA-UHFFFAOYSA-N 1 0 385.537 2.768 20 0 GFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nccc(Cl)c1C(=O)OC)C2 ZINC001164805918 720077226 /nfs/dbraw/zinc/07/72/26/720077226.db2.gz AUKNZTBBUUVDND-MGPUTAFESA-N 1 0 393.915 2.706 20 0 GFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(Cl)nc3cccnc31)C2 ZINC001164813171 720090395 /nfs/dbraw/zinc/09/03/95/720090395.db2.gz SVCWDLVNPYBYCH-QRWLVFNGSA-N 1 0 387.915 2.863 20 0 GFADRO CCOCc1cnc(Cl)nc1N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COC ZINC001164817739 720154147 /nfs/dbraw/zinc/15/41/47/720154147.db2.gz QDMRBFKJNVZLQF-FXAWDEMLSA-N 1 0 394.947 2.851 20 0 GFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cc(-c3ccccn3)ncn1)C2 ZINC001164819897 720174439 /nfs/dbraw/zinc/17/44/39/720174439.db2.gz YWGQKAYKTSDXDR-XMSQKQJNSA-N 1 0 379.508 2.723 20 0 GFADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2nncc3ccccc32)CC1 ZINC001164827889 720306291 /nfs/dbraw/zinc/30/62/91/720306291.db2.gz YKKHESSRQXRVRB-VQTJNVASSA-N 1 0 379.508 2.541 20 0 GFADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2ncc(F)cc2Cl)CC1 ZINC001164826029 720311296 /nfs/dbraw/zinc/31/12/96/720311296.db2.gz VADSFVWALHLIJB-IAGOWNOFSA-N 1 0 380.895 2.786 20 0 GFADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2cnc(-c3ccco3)cn2)CC1 ZINC001164818974 720312352 /nfs/dbraw/zinc/31/23/52/720312352.db2.gz CDWLNUCXIIUZIC-RBUKOAKNSA-N 1 0 395.507 2.648 20 0 GFADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2nccc(C(C)(C)C)n2)CC1 ZINC001164821402 720312400 /nfs/dbraw/zinc/31/24/00/720312400.db2.gz KNXIYTLRLATSKS-ZWKOTPCHSA-N 1 0 385.556 2.686 20 0 GFADRO Cc1ccnc(N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c1Cl ZINC001164819578 720313548 /nfs/dbraw/zinc/31/35/48/720313548.db2.gz DKHJYILRXNMSDU-IRXDYDNUSA-N 1 0 376.932 2.955 20 0 GFADRO CSCc1ccc(N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc1 ZINC001164821484 720346419 /nfs/dbraw/zinc/34/64/19/720346419.db2.gz AMESCJFEWFCLME-RTBURBONSA-N 1 0 388.581 2.856 20 0 GFADRO COC(=O)c1c[nH]c2nc(N3CC[C@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)ccc12 ZINC001164730361 720363105 /nfs/dbraw/zinc/36/31/05/720363105.db2.gz XCUVSQPTLHUXKH-ZWKOTPCHSA-N 1 0 377.448 2.598 20 0 GFADRO Cc1nc(CO[C@@H]2CN(c3cc(C[NH+](C)C)ccn3)[C@@H]3CCCO[C@@H]23)cs1 ZINC001164821855 720391974 /nfs/dbraw/zinc/39/19/74/720391974.db2.gz JQJBDFHKFKRUDN-QWFCFKBJSA-N 1 0 388.537 2.861 20 0 GFADRO C[NH+](C)C[C@H]1Cn2ccnc2CN(c2nc(Cl)nc3[nH]cc(Cl)c32)C1 ZINC001164730625 720505446 /nfs/dbraw/zinc/50/54/46/720505446.db2.gz MUHJTUWOQNCCKM-JTQLQIEISA-N 1 0 380.283 2.659 20 0 GFADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ncnc4ncccc43)CC[C@@H]21 ZINC001164836035 720516902 /nfs/dbraw/zinc/51/69/02/720516902.db2.gz LVXOIHCAIIOWGB-AOIWGVFYSA-N 1 0 377.496 2.599 20 0 GFADRO CCN(CC)c1cncc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)n1 ZINC001164840832 720572652 /nfs/dbraw/zinc/57/26/52/720572652.db2.gz UDPRIGDJKVLOLF-XUVXKRRUSA-N 1 0 397.571 2.897 20 0 GFADRO Cc1nc(-c2ccncc2)cc(N2CCc3ncc(C[NH+]4CCCC4)n3CC2)n1 ZINC001164736076 720586128 /nfs/dbraw/zinc/58/61/28/720586128.db2.gz AIHFFZQCXGISHO-UHFFFAOYSA-N 1 0 389.507 2.702 20 0 GFADRO CC(=O)Nc1c(C)ccnc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001164835916 720587492 /nfs/dbraw/zinc/58/74/92/720587492.db2.gz CRXRNEJDMVQLER-SLFFLAALSA-N 1 0 396.539 2.923 20 0 GFADRO Cc1nc2cc(Cl)ccc2c(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)n1 ZINC001164743726 720700550 /nfs/dbraw/zinc/70/05/50/720700550.db2.gz XWSRMZFTEVZBOE-JKSUJKDBSA-N 1 0 396.882 2.724 20 0 GFADRO c1ncn(C[C@@H]2C[C@@H]3CN(c4nccc5ncccc54)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164749920 720815065 /nfs/dbraw/zinc/81/50/65/720815065.db2.gz UUCFNERPOWRGLC-LVCYWYKZSA-N 1 0 389.507 2.601 20 0 GFADRO Fc1ccc(Cl)nc1N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164740260 720817835 /nfs/dbraw/zinc/81/78/35/720817835.db2.gz JXWHFDAVFRELPE-BFYDXBDKSA-N 1 0 390.894 2.845 20 0 GFADRO c1ncn(C[C@@H]2C[C@H]3CN(c4ccc5c(n4)CCCC5)CC[C@@H]3[N@@H+]2CC2CC2)n1 ZINC001164738007 720824164 /nfs/dbraw/zinc/82/41/64/720824164.db2.gz DIGPCEOZLWCVGH-ONTIZHBOSA-N 1 0 392.551 2.931 20 0 GFADRO c1ncn(C[C@H]2C[C@H]3CN(c4nccc5ncsc54)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164745943 720841014 /nfs/dbraw/zinc/84/10/14/720841014.db2.gz OINMMVCRDKNGAF-LZLYRXPVSA-N 1 0 395.536 2.662 20 0 GFADRO Fc1cnc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c2[nH]ccc21 ZINC001164749471 720841983 /nfs/dbraw/zinc/84/19/83/720841983.db2.gz VXTMLWOTVVXXIH-FRQCXROJSA-N 1 0 395.486 2.673 20 0 GFADRO CSc1ccnc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c1 ZINC001164741319 720847625 /nfs/dbraw/zinc/84/76/25/720847625.db2.gz DZWOERCMTOKVSR-YQVWRLOYSA-N 1 0 384.553 2.774 20 0 GFADRO COCC[N@@H+]1CCO[C@H]2CN(c3csc4ncnc(Cl)c34)CC[C@H]2C1 ZINC001164856455 720848228 /nfs/dbraw/zinc/84/82/28/720848228.db2.gz WRKOYUDTBYRLMP-JSGCOSHPSA-N 1 0 382.917 2.518 20 0 GFADRO COCC[N@@H+]1CCO[C@H]2CN(C(F)(F)c3ccc(C)c(Cl)n3)CC[C@H]2C1 ZINC001164853038 720858263 /nfs/dbraw/zinc/85/82/63/720858263.db2.gz GFMOPWLZZZRSPP-GJZGRUSLSA-N 1 0 389.874 2.762 20 0 GFADRO c1cncc(COC[C@H]2C[N@H+](CC3CC3)C[C@@]23CCN(c2ccncn2)C3)c1 ZINC001164754397 720867355 /nfs/dbraw/zinc/86/73/55/720867355.db2.gz RQEBXKRZGFXOJR-IFMALSPDSA-N 1 0 379.508 2.627 20 0 GFADRO Nc1cccnc1N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164749962 720879958 /nfs/dbraw/zinc/87/99/58/720879958.db2.gz IEVBPFMBSIOIIZ-NFBKMPQASA-N 1 0 393.535 2.814 20 0 GFADRO Cc1cncc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164754057 720880669 /nfs/dbraw/zinc/88/06/69/720880669.db2.gz QUYONDVCKSMVAU-GGAORHGYSA-N 1 0 393.535 2.935 20 0 GFADRO CCOC(=O)c1ncnc(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@H]2C)c1C ZINC001164856315 720970596 /nfs/dbraw/zinc/97/05/96/720970596.db2.gz BHPMEMBBHHWVQO-OAHLLOKOSA-N 1 0 386.500 2.580 20 0 GFADRO Clc1cnc(Cl)nc1N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164868664 721050305 /nfs/dbraw/zinc/05/03/05/721050305.db2.gz PGKFDGJSOMEQMO-KBPBESRZSA-N 1 0 380.279 2.658 20 0 GFADRO FC(F)(c1nccc(Cl)n1)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164867367 721055643 /nfs/dbraw/zinc/05/56/43/721055643.db2.gz IPMQQWUYCBJADQ-GJZGRUSLSA-N 1 0 395.841 2.550 20 0 GFADRO COc1cccc2c1ncnc2N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164865862 721062200 /nfs/dbraw/zinc/06/22/00/721062200.db2.gz ARWXSTWUBSZSRO-ZWKOTPCHSA-N 1 0 391.475 2.513 20 0 GFADRO CSc1nc(Cl)ncc1N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164865691 721088107 /nfs/dbraw/zinc/08/81/07/721088107.db2.gz OKIJEJWIROJSSV-GJZGRUSLSA-N 1 0 391.928 2.727 20 0 GFADRO FC(F)(c1cnnc(Cl)c1)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164862759 721090442 /nfs/dbraw/zinc/09/04/42/721090442.db2.gz AETDZANSHNRGFM-CVEARBPZSA-N 1 0 395.841 2.550 20 0 GFADRO COc1nc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)nc2ccccc21 ZINC001164865172 721103449 /nfs/dbraw/zinc/10/34/49/721103449.db2.gz JJNXETZVLKEZGD-ROUUACIJSA-N 1 0 391.475 2.513 20 0 GFADRO Cc1c[nH]c2nc(Cl)nc(N3C[C@@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@@H]4C3)c12 ZINC001164768207 721105579 /nfs/dbraw/zinc/10/55/79/721105579.db2.gz NULXGPFELKSEFV-LSDHHAIUSA-N 1 0 385.903 2.612 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4cnc5c(Cl)cccc5n4)C[C@H]3C2)cn1 ZINC001164772772 721108535 /nfs/dbraw/zinc/10/85/35/721108535.db2.gz WQLPGLCWQPWFKM-HZPDHXFCSA-N 1 0 382.899 2.975 20 0 GFADRO CCCSc1cncc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164881043 721158877 /nfs/dbraw/zinc/15/88/77/721158877.db2.gz YVLSZBHMNQRSGZ-ROUUACIJSA-N 1 0 385.537 2.853 20 0 GFADRO c1coc(-c2ccc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)nn2)c1 ZINC001164878953 721161189 /nfs/dbraw/zinc/16/11/89/721161189.db2.gz RCFQHLAOKGUEKM-MSOLQXFVSA-N 1 0 377.448 2.611 20 0 GFADRO Cc1ccc(-c2ccc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)nn2)o1 ZINC001164880351 721163200 /nfs/dbraw/zinc/16/32/00/721163200.db2.gz WAHJLNADOCPBIV-MOPGFXCFSA-N 1 0 391.475 2.920 20 0 GFADRO CSc1ncc(Cl)nc1N1C[C@@H]2CC[N@H+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001164761990 721188597 /nfs/dbraw/zinc/18/85/97/721188597.db2.gz BJURBYGPCWHUTK-KBPBESRZSA-N 1 0 378.933 2.544 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4ccc(-c5ccccc5F)nn4)C[C@@H]3C2)cn1 ZINC001164765153 721216903 /nfs/dbraw/zinc/21/69/03/721216903.db2.gz HZDBBPIXXSCQPU-ROUUACIJSA-N 1 0 392.482 2.975 20 0 GFADRO O=C1CCC2(CCN(c3cccc(OCC[NH+]4CCCC4)n3)CC2)N1CC1CC1 ZINC001164774987 721306825 /nfs/dbraw/zinc/30/68/25/721306825.db2.gz LRUAJYSFEVVFHM-UHFFFAOYSA-N 1 0 398.551 2.928 20 0 GFADRO Cc1cccc2ncnc(N3CC[C@@]4(C3)CCC[C@H](C[NH+]3CCN(C)CC3)O4)c12 ZINC001164891408 721415369 /nfs/dbraw/zinc/41/53/69/721415369.db2.gz VZNQJFFJSOMIDV-AUSIDOKSSA-N 1 0 395.551 2.704 20 0 GFADRO CSc1cccnc1N1CC[C@@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2 ZINC001164892955 721417845 /nfs/dbraw/zinc/41/78/45/721417845.db2.gz ZKDURNCQUVFWFX-YLJYHZDGSA-N 1 0 376.570 2.569 20 0 GFADRO Cc1cc(N2CC[C@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)nc2[nH]ccc21 ZINC001164891916 721423211 /nfs/dbraw/zinc/42/32/11/721423211.db2.gz WQFAFMWANZHBFQ-AVRDEDQJSA-N 1 0 383.540 2.637 20 0 GFADRO CSc1cnc(N2CC[C@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)c(C)c1 ZINC001164895846 721430184 /nfs/dbraw/zinc/43/01/84/721430184.db2.gz QHCOVOHTYWHCHH-RXVVDRJESA-N 1 0 390.597 2.877 20 0 GFADRO Cc1cc2c(ccnc2N2CC[C@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)o1 ZINC001164893130 721439976 /nfs/dbraw/zinc/43/99/76/721439976.db2.gz JFRDWMMOPIAYRX-GCJKJVERSA-N 1 0 384.524 2.902 20 0 GFADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(Cl)ncn1)CC2 ZINC001164784320 721447746 /nfs/dbraw/zinc/44/77/46/721447746.db2.gz DSZPBIHZLDPXMO-KRWDZBQOSA-N 1 0 394.947 2.864 20 0 GFADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(F)ccn1)CC2 ZINC001164786001 721450123 /nfs/dbraw/zinc/45/01/23/721450123.db2.gz LRXPPTVYWWTTLQ-IBGZPJMESA-N 1 0 377.504 2.955 20 0 GFADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncc(F)c(C)n1)CC2 ZINC001164786647 721458262 /nfs/dbraw/zinc/45/82/62/721458262.db2.gz OUVGWYFMZKXQEI-GOSISDBHSA-N 1 0 392.519 2.658 20 0 GFADRO COC(=O)c1ccc(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)nn1 ZINC001164792725 721491405 /nfs/dbraw/zinc/49/14/05/721491405.db2.gz LBOOEUNDXBYAGK-UHFFFAOYSA-N 1 0 381.480 2.539 20 0 GFADRO COc1cc(OC)nc(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)n1 ZINC001164793626 721492127 /nfs/dbraw/zinc/49/21/27/721492127.db2.gz URLWMYDCECHWDE-UHFFFAOYSA-N 1 0 383.496 2.770 20 0 GFADRO Fc1cccc(O[C@@H]2C[C@@H]3CN(c4ncnc5c4ncn5C4CC4)CC[N@@H+]3C2)c1 ZINC001164903487 721555178 /nfs/dbraw/zinc/55/51/78/721555178.db2.gz BMNVJYQYGNQCLO-SJLPKXTDSA-N 1 0 394.454 2.642 20 0 GFADRO CC(C)COc1nccnc1N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164906080 721560965 /nfs/dbraw/zinc/56/09/65/721560965.db2.gz ISLSMMUPIXTNRY-MJGOQNOKSA-N 1 0 386.471 2.992 20 0 GFADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc3nc[nH]c3cc2Cl)[C@H]2CCCO[C@@H]12 ZINC001164802202 721562809 /nfs/dbraw/zinc/56/28/09/721562809.db2.gz HPLFHHWYFXSUKB-RCCFBDPRSA-N 1 0 398.898 2.875 20 0 GFADRO Cc1nc2c(c(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@H]4OCCC[C@H]43)n1)CCC2 ZINC001164798209 721571036 /nfs/dbraw/zinc/57/10/36/721571036.db2.gz AVNZXZDOGGTCHY-HKBOAZHASA-N 1 0 379.508 2.537 20 0 GFADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2csc3ncnc(Cl)c23)CC1 ZINC001165010117 721734769 /nfs/dbraw/zinc/73/47/69/721734769.db2.gz AXNDOMOCCMWRBF-UHFFFAOYSA-N 1 0 393.944 2.868 20 0 GFADRO c1cncc(O[C@@H]2CO[C@]3(CCN(c4ccc(C[NH+]5CCCC5)cn4)C3)C2)c1 ZINC001164917701 721807023 /nfs/dbraw/zinc/80/70/23/721807023.db2.gz XHQMJXFWDHXFAH-RBBKRZOGSA-N 1 0 380.492 2.889 20 0 GFADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc4c(nn3)CCOC4)C[C@@H]21 ZINC001165025732 721829398 /nfs/dbraw/zinc/82/93/98/721829398.db2.gz NOCPZCIMUDCANH-NBHGPNQESA-N 1 0 379.508 2.681 20 0 GFADRO CCOc1ccnc(N(C)C2CC[NH+](Cc3c(OC)cccc3OC)CC2)n1 ZINC001165022391 721840455 /nfs/dbraw/zinc/84/04/55/721840455.db2.gz RVHGBQBHIRTRHT-UHFFFAOYSA-N 1 0 386.496 2.993 20 0 GFADRO C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2C(F)(F)c1cnc(Cl)nc1Cl ZINC001164921977 721848954 /nfs/dbraw/zinc/84/89/54/721848954.db2.gz PDSVKBJDNICIKD-NEPJUHHUSA-N 1 0 380.270 2.543 20 0 GFADRO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2c1nccc(SCc2ccccc2)n1 ZINC001164934359 721886212 /nfs/dbraw/zinc/88/62/12/721886212.db2.gz QRTMAOUBCXWFMQ-RBUKOAKNSA-N 1 0 383.565 2.984 20 0 GFADRO CC(=O)N1CC[C@@]2(c3ccccc3)CCN(c3cc(C[NH+](C)C)ccn3)C[C@H]12 ZINC001164949399 721967662 /nfs/dbraw/zinc/96/76/62/721967662.db2.gz XMTSIZYGJPJXDF-JTHBVZDNSA-N 1 0 378.520 2.912 20 0 GFADRO CCOC(=O)c1cncnc1N1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001164954884 722012219 /nfs/dbraw/zinc/01/22/19/722012219.db2.gz QHVICGCORPPHRE-UHFFFAOYSA-N 1 0 381.480 2.541 20 0 GFADRO COC(=O)c1ccc(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)nc1OC ZINC001164954074 722013846 /nfs/dbraw/zinc/01/38/46/722013846.db2.gz IBBPZRWTIDZODW-UHFFFAOYSA-N 1 0 396.491 2.764 20 0 GFADRO O=C(NCc1cccnc1)[C@H]1C[C@]12CCN(c1ccc(C[NH+]3CCCC3)cn1)C2 ZINC001164963075 722034570 /nfs/dbraw/zinc/03/45/70/722034570.db2.gz ZRZSVEIKWIOQPZ-OFNKIYASSA-N 1 0 391.519 2.605 20 0 GFADRO CC(C)(C)NC(=O)c1ccc(Cl)nc1N1C[C@@H]2C[N@@H+](CC3CC3)C[C@H](C1)O2 ZINC001164967584 722072999 /nfs/dbraw/zinc/07/29/99/722072999.db2.gz QUVSOBVEDVJKBW-GASCZTMLSA-N 1 0 392.931 2.563 20 0 GFADRO O=C(NC1CCC1)C1C[C@@H]2CN(c3cccc(OCC[NH+]4CCCC4)n3)C[C@H]2C1 ZINC001164977621 722085297 /nfs/dbraw/zinc/08/52/97/722085297.db2.gz XHOHCPJVPNTXDN-RTBURBONSA-N 1 0 398.551 2.687 20 0 GFADRO CN(C)C(=O)N[C@@H]1c2ccccc2[C@H]2CN(c3cc(C[NH+](C)C)ccn3)C[C@H]21 ZINC001164976334 722098118 /nfs/dbraw/zinc/09/81/18/722098118.db2.gz CPRFTPXAMSFURZ-SFHLNBCPSA-N 1 0 379.508 2.689 20 0 GFADRO c1ccc2nc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)ncc2c1 ZINC001164980028 722099372 /nfs/dbraw/zinc/09/93/72/722099372.db2.gz IVSFXCUGPRHOGB-PZJWPPBQSA-N 1 0 375.476 2.752 20 0 GFADRO Clc1cnc(Cl)nc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164976341 722102209 /nfs/dbraw/zinc/10/22/09/722102209.db2.gz CQHZUGBEWPLFQP-GOEBONIOSA-N 1 0 394.306 2.906 20 0 GFADRO Cc1c[nH]c2nc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)ccc12 ZINC001164970934 722108610 /nfs/dbraw/zinc/10/86/10/722108610.db2.gz ATYRRHOKTBXFHB-AZUAARDMSA-N 1 0 377.492 2.994 20 0 GFADRO Fc1cccc2c1ncnc2N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164973214 722112166 /nfs/dbraw/zinc/11/21/66/722112166.db2.gz GWGOKFOAVASBQN-XLIONFOSSA-N 1 0 393.466 2.891 20 0 GFADRO COc1cc(Cl)cc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164974000 722114585 /nfs/dbraw/zinc/11/45/85/722114585.db2.gz IHBZRTATUULGLV-SJLPKXTDSA-N 1 0 388.899 2.866 20 0 GFADRO CCc1c(Cl)ncnc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164983296 722145595 /nfs/dbraw/zinc/14/55/95/722145595.db2.gz SYQWTBYEPCZCDH-FUHWJXTLSA-N 1 0 387.915 2.815 20 0 GFADRO CCc1c(Cl)ncnc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164983298 722145649 /nfs/dbraw/zinc/14/56/49/722145649.db2.gz SYQWTBYEPCZCDH-WMZOPIPTSA-N 1 0 387.915 2.815 20 0 GFADRO CCc1c(Cl)ncnc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164983295 722145723 /nfs/dbraw/zinc/14/57/23/722145723.db2.gz SYQWTBYEPCZCDH-AEFFLSMTSA-N 1 0 387.915 2.815 20 0 GFADRO c1coc(-c2ccc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)nn2)c1 ZINC001164985075 722147434 /nfs/dbraw/zinc/14/74/34/722147434.db2.gz ZEFGPIAEELNCJI-GHTZIAJQSA-N 1 0 391.475 2.859 20 0 GFADRO C[C@@H]1C(=O)Nc2ncnc(N3CCC[C@]4(CC[N@@H+]4Cc4cccc(F)c4)C3)c21 ZINC001164995444 722201532 /nfs/dbraw/zinc/20/15/32/722201532.db2.gz NSRDWMSIPORXGN-QKKBWIMNSA-N 1 0 381.455 2.916 20 0 GFADRO Cc1cc(CNc2ccc(N3CC[NH+](C)CC3)cn2)ncc1Br ZINC000623368932 532387947 /nfs/dbraw/zinc/38/79/47/532387947.db2.gz FYGFNOSEXKWKNE-UHFFFAOYSA-N 1 0 376.302 2.911 20 0 GFADRO CC[C@H](Cc1cccc(Br)c1)C(=O)NC[C@](C)(O)CC[NH+](C)C ZINC000429900271 563527904 /nfs/dbraw/zinc/52/79/04/563527904.db2.gz GAQMAAAWRFGSLD-CRAIPNDOSA-N 1 0 385.346 2.837 20 0 GFADRO COc1ccc([C@@H]2CCCN2C(=O)C[NH2+][C@]2(C)CCO[C@@H]2C2CC2)c(OC)c1 ZINC000359956257 212127415 /nfs/dbraw/zinc/12/74/15/212127415.db2.gz DGLSBMVSHHUQNX-VLCRHTCISA-N 1 0 388.508 2.915 20 0 GFADRO COc1ccc([C@@H]2CCCN2C(=O)C[NH2+][C@@]2(C)CCO[C@H]2C2CC2)c(OC)c1 ZINC000359956256 212127474 /nfs/dbraw/zinc/12/74/74/212127474.db2.gz DGLSBMVSHHUQNX-NYVOZVTQSA-N 1 0 388.508 2.915 20 0 GFADRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCC(NC(=O)c2ccoc2)CC1 ZINC000359928655 212124191 /nfs/dbraw/zinc/12/41/91/212124191.db2.gz XCEBPRWOQRCBHV-BBWFWOEESA-N 1 0 390.528 2.550 20 0 GFADRO O=S(=O)(c1cccs1)N1CCC([NH2+]CCc2ccc(Cl)nc2)CC1 ZINC000359871778 212120051 /nfs/dbraw/zinc/12/00/51/212120051.db2.gz NLOMSMCPZGXPDH-UHFFFAOYSA-N 1 0 385.942 2.782 20 0 GFADRO CC[N@@H+]1CCC[C@@H](CN(C)C(=O)CC[C@H]2CC[C@@H](C)O2)[C@@H]1c1cnn(C)c1 ZINC000328632138 212087079 /nfs/dbraw/zinc/08/70/79/212087079.db2.gz RQCIMJXSOIDBNZ-SHJAMOMRSA-N 1 0 376.545 2.999 20 0 GFADRO CO[C@]1(C[NH2+]Cc2c(Br)cncc2Br)CCOC1 ZINC000394587997 563530017 /nfs/dbraw/zinc/53/00/17/563530017.db2.gz XBKLXOMXQPRHCF-LBPRGKRZSA-N 1 0 380.080 2.502 20 0 GFADRO COc1ccc2c(c1)C[C@@H](C(=O)NCCC[N@@H+]1CCc3ccccc3C1)CO2 ZINC000015786270 221345401 /nfs/dbraw/zinc/34/54/01/221345401.db2.gz YMNIKBOIHFAINH-HXUWFJFHSA-N 1 0 380.488 2.811 20 0 GFADRO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(c2ncnc3ccsc32)CC1 ZINC000057139868 132449645 /nfs/dbraw/zinc/44/96/45/132449645.db2.gz YEBYXRBXXGOBGE-UHFFFAOYSA-N 1 0 375.542 2.612 20 0 GFADRO CC[NH+](CC)[C@@H](CNC(=O)c1cnc2c(c1)c(C)nn2C)Cc1ccccc1 ZINC000056931922 222026846 /nfs/dbraw/zinc/02/68/46/222026846.db2.gz ZQINBNBYXHYPHF-LJQANCHMSA-N 1 0 379.508 2.960 20 0 GFADRO CC(=O)N1CCc2cc(C(=O)Nc3cccc(CN4CC[NH+](C)CC4)c3)ccc21 ZINC000057054848 222028827 /nfs/dbraw/zinc/02/88/27/222028827.db2.gz XOYMDWJKNAICQD-UHFFFAOYSA-N 1 0 392.503 2.595 20 0 GFADRO O=C(CCCNC(=O)c1ccco1)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000058157532 222041294 /nfs/dbraw/zinc/04/12/94/222041294.db2.gz UXPCTXDZHDCKDK-IBGZPJMESA-N 1 0 383.492 2.961 20 0 GFADRO C[NH+]1CCC(CNC(=O)c2ccc(F)c(I)c2)CC1 ZINC000151454023 551413630 /nfs/dbraw/zinc/41/36/30/551413630.db2.gz BBFRFJAGRGLSIP-UHFFFAOYSA-N 1 0 376.213 2.502 20 0 GFADRO O=C1CCCN1CC[NH2+]Cc1cc(Br)cc(Br)c1 ZINC000405482372 563539657 /nfs/dbraw/zinc/53/96/57/563539657.db2.gz KJABIPLOKJYFHB-UHFFFAOYSA-N 1 0 376.092 2.924 20 0 GFADRO O=C(c1cccc(I)c1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000290176186 563700820 /nfs/dbraw/zinc/70/08/20/563700820.db2.gz PEZPMRSFMYEKGT-CQSZACIVSA-N 1 0 384.261 2.753 20 0 GFADRO CC1CC[NH+](CCNS(=O)(=O)c2ccc(F)cc2Br)CC1 ZINC000040446178 551134869 /nfs/dbraw/zinc/13/48/69/551134869.db2.gz NAJXCGAJKONTMV-UHFFFAOYSA-N 1 0 379.295 2.598 20 0 GFADRO C[NH+]1CCC(CNC(=O)c2ccc(Cl)c(Cl)c2)(N2CCOCC2)CC1 ZINC000040616305 551134910 /nfs/dbraw/zinc/13/49/10/551134910.db2.gz UOMRFDFKGJEOEG-UHFFFAOYSA-N 1 0 386.323 2.520 20 0 GFADRO C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000041362521 551135092 /nfs/dbraw/zinc/13/50/92/551135092.db2.gz ZOFARYZPBFWAOD-AWEZNQCLSA-N 1 0 388.339 2.905 20 0 GFADRO C[NH+]1CCN(c2ccc(NC(=O)c3cc(F)cc(Br)c3)nc2)CC1 ZINC000053745959 551167781 /nfs/dbraw/zinc/16/77/81/551167781.db2.gz CGUACAPNKBABDU-UHFFFAOYSA-N 1 0 393.260 2.987 20 0 GFADRO Cc1cccc(C(=O)N2CC[NH+](CC3CC3)CC2)c1I ZINC000055673540 551174422 /nfs/dbraw/zinc/17/44/22/551174422.db2.gz RILIHAIQINFZOV-UHFFFAOYSA-N 1 0 384.261 2.767 20 0 GFADRO Brc1cccc(Cc2noc(CN3CC[NH+](CC4CC4)CC3)n2)c1 ZINC000067377610 551188471 /nfs/dbraw/zinc/18/84/71/551188471.db2.gz NYYWVHVBKACSTL-UHFFFAOYSA-N 1 0 391.313 2.951 20 0 GFADRO COCCOC[C@@H]1CC[N@H+](Cc2c(Br)cc(OC)cc2OC)C1 ZINC000093754445 551195717 /nfs/dbraw/zinc/19/57/17/551195717.db2.gz KNXMXSFGZRHPRD-CYBMUJFWSA-N 1 0 388.302 2.951 20 0 GFADRO C[C@H](CNS(=O)(=O)c1ccc(Br)cc1Cl)[NH+]1CCCC1 ZINC000097173663 551196400 /nfs/dbraw/zinc/19/64/00/551196400.db2.gz FIFAQWDJJIYLAH-SNVBAGLBSA-N 1 0 381.723 2.865 20 0 GFADRO C[C@@H](C(=O)NCC(=O)Nc1ccc(Br)cc1)[NH+]1[C@H](C)CC[C@H]1C ZINC000101647895 551197282 /nfs/dbraw/zinc/19/72/82/551197282.db2.gz SYXFTIYYRCZQCO-UPJWGTAASA-N 1 0 382.302 2.765 20 0 GFADRO CN(CC1CC[NH+](C)CC1)C(=O)c1ccc(F)cc1I ZINC000103451620 551198084 /nfs/dbraw/zinc/19/80/84/551198084.db2.gz KPFPKZHCXAAZHU-UHFFFAOYSA-N 1 0 390.240 2.844 20 0 GFADRO COC(=O)c1ccc(S(=O)(=O)NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)c(Cl)c1 ZINC000110252959 551203690 /nfs/dbraw/zinc/20/36/90/551203690.db2.gz ZORGZZPGTWINHI-STQMWFEESA-N 1 0 388.917 2.525 20 0 GFADRO O=C(NCc1ccccc1Br)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000112205397 551204916 /nfs/dbraw/zinc/20/49/16/551204916.db2.gz NKSAXQDBCTVOOF-OAHLLOKOSA-N 1 0 396.329 2.703 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(=O)c2cc(Br)ccc2[nH]1 ZINC000112627120 551206106 /nfs/dbraw/zinc/20/61/06/551206106.db2.gz PYLJCKODCFZRAE-LBPRGKRZSA-N 1 0 378.270 2.505 20 0 GFADRO C[C@H](CNC(=O)c1cc2ccc(Br)cc2[nH]1)C[NH+]1CCN(C)CC1 ZINC000114141014 551209012 /nfs/dbraw/zinc/20/90/12/551209012.db2.gz OHBWHOQKFQWHQO-CYBMUJFWSA-N 1 0 393.329 2.544 20 0 GFADRO C[C@@H]1C[NH+](CCCCNC(=O)c2nc(Br)cs2)C[C@@H](C)O1 ZINC000119486986 551216631 /nfs/dbraw/zinc/21/66/31/551216631.db2.gz NPFHVOHDRANSDR-GHMZBOCLSA-N 1 0 376.320 2.525 20 0 GFADRO COc1ccccc1N1CC[C@@H]([NH2+][C@@H](C)Cn2cc(Br)cn2)C1 ZINC000119670770 551218389 /nfs/dbraw/zinc/21/83/89/551218389.db2.gz OSZYXTNRNWIWCT-DZGCQCFKSA-N 1 0 379.302 2.911 20 0 GFADRO COC(=O)[C@@H](C)C[N@H+](C)CCC(=O)Nc1ccc(Br)cc1F ZINC000120762456 551221627 /nfs/dbraw/zinc/22/16/27/551221627.db2.gz BMIDATSFASBGLN-JTQLQIEISA-N 1 0 375.238 2.658 20 0 GFADRO C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CCOC[C@H]1CCCO1 ZINC000121004421 551224662 /nfs/dbraw/zinc/22/46/62/551224662.db2.gz UTJHDGZEXDXVIX-XJKSGUPXSA-N 1 0 385.302 2.951 20 0 GFADRO C[NH2+]CCCNC(=O)c1nn(-c2ccc(Br)cc2)c2c1CCCC2 ZINC000121067896 551226366 /nfs/dbraw/zinc/22/63/66/551226366.db2.gz QJSXKHPBUPGPNU-UHFFFAOYSA-N 1 0 391.313 2.853 20 0 GFADRO C[NH+](C)[C@H]1CCC[C@@H](NS(=O)(=O)Cc2ccc(Br)cc2)C1 ZINC000121287500 551231411 /nfs/dbraw/zinc/23/14/11/551231411.db2.gz FEHARCAPGSCXGK-CABCVRRESA-N 1 0 375.332 2.741 20 0 GFADRO C[C@@H](NC(=O)Nc1cc(F)c(Br)cc1F)[C@H](C)N1CCOCC1 ZINC000121777930 551242361 /nfs/dbraw/zinc/24/23/61/551242361.db2.gz GVYXCMQECSNTEQ-ZJUUUORDSA-N 1 0 392.244 2.958 20 0 GFADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)CSCc2ccc(Cl)cc2)CC1 ZINC000122377210 551297288 /nfs/dbraw/zinc/29/72/88/551297288.db2.gz SQYKSZZDPIHUFC-INIZCTEOSA-N 1 0 383.989 2.963 20 0 GFADRO Cc1cccc(C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)c1Br ZINC000122482347 551298350 /nfs/dbraw/zinc/29/83/50/551298350.db2.gz KYXSJFQUUKLQOR-CQSZACIVSA-N 1 0 381.314 2.988 20 0 GFADRO CCC(=O)N1CCC[N@H+](C[C@@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000123096077 551302417 /nfs/dbraw/zinc/30/24/17/551302417.db2.gz AQTLHGYTKOBGHC-CQSZACIVSA-N 1 0 375.296 2.677 20 0 GFADRO COCC[NH+]1CCC(NC(=O)N[C@H](C)Cc2ccccc2Br)CC1 ZINC000123112809 551303178 /nfs/dbraw/zinc/30/31/78/551303178.db2.gz ODGQSURTYJFEBZ-CQSZACIVSA-N 1 0 398.345 2.790 20 0 GFADRO Cc1cc(S(=O)(=O)N2C[C@@H]([NH3+])Cc3ccccc32)sc1Br ZINC000123640740 551307881 /nfs/dbraw/zinc/30/78/81/551307881.db2.gz DIBDDUGAWINGHW-NSHDSACASA-N 1 0 387.324 2.898 20 0 GFADRO C[NH+](C)CCOc1cc(CNC(=O)c2ccc(F)cc2Br)ccn1 ZINC000124165889 551311496 /nfs/dbraw/zinc/31/14/96/551311496.db2.gz OPPXEGNRJBBDCY-UHFFFAOYSA-N 1 0 396.260 2.854 20 0 GFADRO O=C(c1csc(I)c1)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000124224617 551312549 /nfs/dbraw/zinc/31/25/49/551312549.db2.gz HSXGPNQXCJMNFB-LBPRGKRZSA-N 1 0 390.290 2.957 20 0 GFADRO [NH3+]C[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1cc(Br)ccc1Cl ZINC000124582007 551315672 /nfs/dbraw/zinc/31/56/72/551315672.db2.gz WDBOPPOSGZUORC-CABZTGNLSA-N 1 0 381.723 2.898 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(S(=O)(=O)c2cn(C)c(Cl)n2)CC1 ZINC000124879173 551318381 /nfs/dbraw/zinc/31/83/81/551318381.db2.gz JASGFVIFUFTHRR-CQSZACIVSA-N 1 0 388.965 2.739 20 0 GFADRO COCC[N@H+](C)CCNC(=O)N(Cc1csc(Br)c1)C1CC1 ZINC000125144809 551320037 /nfs/dbraw/zinc/32/00/37/551320037.db2.gz WRQMUCKHDACQCH-UHFFFAOYSA-N 1 0 390.347 2.763 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)c1ccc(S(=O)(=O)c2ccccc2)s1)C1CC1 ZINC000125253069 551320828 /nfs/dbraw/zinc/32/08/28/551320828.db2.gz RXYYNEFBQWSQTP-OAHLLOKOSA-N 1 0 378.519 2.651 20 0 GFADRO COc1ccc(Br)cc1NC(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000126132285 551326564 /nfs/dbraw/zinc/32/65/64/551326564.db2.gz GVQVLWGAKSJNKX-UHFFFAOYSA-N 1 0 399.333 2.605 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1ccc(C(F)(F)F)cc1Cl)C1CC1 ZINC000126324593 551328819 /nfs/dbraw/zinc/32/88/19/551328819.db2.gz PPAZOVDKGFSGSY-ZDUSSCGKSA-N 1 0 377.794 2.754 20 0 GFADRO COCCC[NH+]1CCC(NC(=O)Cc2cc(Br)ccc2F)CC1 ZINC000126747853 551332425 /nfs/dbraw/zinc/33/24/25/551332425.db2.gz VYLDHGFRBGCBEA-UHFFFAOYSA-N 1 0 387.293 2.748 20 0 GFADRO CC(C)CN(CC[NH+](C)C)C(=O)Nc1ccc(NS(C)(=O)=O)c(Cl)c1 ZINC000126840668 551333136 /nfs/dbraw/zinc/33/31/36/551333136.db2.gz ZKRDVEBVDKTNHD-UHFFFAOYSA-N 1 0 390.937 2.763 20 0 GFADRO Cc1c(Cl)cccc1S(=O)(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000127452569 551340855 /nfs/dbraw/zinc/34/08/55/551340855.db2.gz NITMCBUIKOMWHL-DLBZAZTESA-N 1 0 386.945 2.695 20 0 GFADRO C[C@H]([NH2+]C[C@H]1CCCN1S(C)(=O)=O)c1ccc(Br)cc1F ZINC000128193833 551346892 /nfs/dbraw/zinc/34/68/92/551346892.db2.gz MLUSAEUXHQYLOC-CMPLNLGQSA-N 1 0 379.295 2.663 20 0 GFADRO CCN(CCC[NH2+]C1CCN(Cc2ccccc2Cl)CC1)S(C)(=O)=O ZINC000128300037 551348650 /nfs/dbraw/zinc/34/86/50/551348650.db2.gz IWYMNJRSYCQRIM-UHFFFAOYSA-N 1 0 387.977 2.566 20 0 GFADRO COCCNS(=O)(=O)c1ccc(C[NH2+]Cc2ccc(Cl)cc2C)cc1 ZINC000129227812 551354967 /nfs/dbraw/zinc/35/49/67/551354967.db2.gz AFUUNXBNBMTURF-UHFFFAOYSA-N 1 0 382.913 2.863 20 0 GFADRO C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000129266830 551355649 /nfs/dbraw/zinc/35/56/49/551355649.db2.gz PXCUKCNNRLIINP-UONOGXRCSA-N 1 0 386.323 2.975 20 0 GFADRO COCCNS(=O)(=O)c1cccc(C[NH2+][C@H]2CCCc3sccc32)c1 ZINC000130475010 551365383 /nfs/dbraw/zinc/36/53/83/551365383.db2.gz JVBOSRUWVHLXHV-KRWDZBQOSA-N 1 0 380.535 2.840 20 0 GFADRO Cc1cccn2c(C[NH2+]C[C@@H](O)COc3ccccc3Br)cnc12 ZINC000130957426 551370300 /nfs/dbraw/zinc/37/03/00/551370300.db2.gz VFSBWZPMITWVFC-OAHLLOKOSA-N 1 0 390.281 2.935 20 0 GFADRO C[C@@H]([NH2+]C1CCN(S(C)(=O)=O)CC1)c1ccc(Br)c(F)c1 ZINC000131085007 551372510 /nfs/dbraw/zinc/37/25/10/551372510.db2.gz OMOPROPNGZGMKB-SNVBAGLBSA-N 1 0 379.295 2.663 20 0 GFADRO C[C@H](c1cccc(Br)c1)N1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000131305425 551373920 /nfs/dbraw/zinc/37/39/20/551373920.db2.gz YERDQOOZCYBHDJ-CXAGYDPISA-N 1 0 380.330 2.924 20 0 GFADRO CC[C@H](c1ccc(Br)cc1)[NH+]1CCC2(CC1)NC(=O)N(C)C2=O ZINC000131536573 551374889 /nfs/dbraw/zinc/37/48/89/551374889.db2.gz LLIUXTMCHNOSRY-CQSZACIVSA-N 1 0 380.286 2.916 20 0 GFADRO C[NH+]1CCC(NC(=O)Nc2cccc(F)c2I)CC1 ZINC000133599608 551383858 /nfs/dbraw/zinc/38/38/58/551383858.db2.gz PLLBXBFHDDDTSQ-UHFFFAOYSA-N 1 0 377.201 2.646 20 0 GFADRO OCC[C@]1(C[NH2+]Cc2cc(Br)ccc2OC(F)F)CCOC1 ZINC000134426605 551385335 /nfs/dbraw/zinc/38/53/35/551385335.db2.gz GFGGXYXNCUNREM-OAHLLOKOSA-N 1 0 380.229 2.929 20 0 GFADRO C[N@@H+]1CCC[C@H]2CN(C(=O)NCCOc3cccc(Br)c3)CC[C@@H]21 ZINC000137192272 551390974 /nfs/dbraw/zinc/39/09/74/551390974.db2.gz ZNEINDOOMNRMRC-YOEHRIQHSA-N 1 0 396.329 2.954 20 0 GFADRO Cc1csc(=O)n1CCC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000138619381 551391637 /nfs/dbraw/zinc/39/16/37/551391637.db2.gz UQBPMQXAFSQATB-UHFFFAOYSA-N 1 0 377.535 2.796 20 0 GFADRO COCC[NH+]1CCC(NC(=O)c2ccc(Br)cc2Cl)CC1 ZINC000141354908 551394160 /nfs/dbraw/zinc/39/41/60/551394160.db2.gz UOTKOSMXKWOTJK-UHFFFAOYSA-N 1 0 375.694 2.943 20 0 GFADRO COCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](Cc2ccc(F)c(Br)c2)C1 ZINC000144483096 551396027 /nfs/dbraw/zinc/39/60/27/551396027.db2.gz CYJLKZCLPJODJT-TZMCWYRMSA-N 1 0 387.293 2.951 20 0 GFADRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NCCOc1ncc(Cl)cc1Cl ZINC000150932710 551404149 /nfs/dbraw/zinc/40/41/49/551404149.db2.gz IXYHFVHZJYNWCG-RISCZKNCSA-N 1 0 375.300 2.749 20 0 GFADRO CC1CC[NH+](CCCCNC(=O)c2cc(S(C)(=O)=O)ccc2Cl)CC1 ZINC000151167353 551408415 /nfs/dbraw/zinc/40/84/15/551408415.db2.gz IQRMOWQYJUCYSS-UHFFFAOYSA-N 1 0 386.945 2.985 20 0 GFADRO CC(=O)N[C@@H](CC(=O)N(C)[C@H]1CCC[N@H+](C)C1)c1ccc(Br)cc1 ZINC000151198234 551408906 /nfs/dbraw/zinc/40/89/06/551408906.db2.gz NHSOCOIBSORCIL-IRXDYDNUSA-N 1 0 396.329 2.569 20 0 GFADRO O=S(=O)(C1CC1)N1CCC([NH2+]Cc2ccc(OC(F)F)c(Cl)c2)CC1 ZINC000151262827 551410158 /nfs/dbraw/zinc/41/01/58/551410158.db2.gz LVFMRVFWMBFLFN-UHFFFAOYSA-N 1 0 394.871 2.988 20 0 GFADRO O=C(Nc1ccc(C(=O)NCC[NH2+]C2CC2)cc1)c1ccc(Br)o1 ZINC000151505468 551414874 /nfs/dbraw/zinc/41/48/74/551414874.db2.gz GMQTZSBLQJPXHZ-UHFFFAOYSA-N 1 0 392.253 2.776 20 0 GFADRO Cc1ccc(S(=O)(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)c(Br)c1 ZINC000151643882 551418862 /nfs/dbraw/zinc/41/88/62/551418862.db2.gz QVAZWQMGYXZDDC-AWEZNQCLSA-N 1 0 387.343 2.864 20 0 GFADRO CC[NH+]1CCC(n2nccc2NC(=O)c2ccncc2Br)CC1 ZINC000151820652 551421906 /nfs/dbraw/zinc/42/19/06/551421906.db2.gz AGCCHQWMPWESKB-UHFFFAOYSA-N 1 0 378.274 2.950 20 0 GFADRO C[NH+](C)[C@H]1CCCN(C(=O)c2ccc(F)c(I)c2)C1 ZINC000151852981 551422533 /nfs/dbraw/zinc/42/25/33/551422533.db2.gz RLNGEHZXPWMDLB-NSHDSACASA-N 1 0 376.213 2.597 20 0 GFADRO C[C@@H]1CCC[C@H]1[NH2+]C[C@H](O)COc1ccc(I)cc1 ZINC000151906257 551423314 /nfs/dbraw/zinc/42/33/14/551423314.db2.gz QZNXFGOYCHOHIR-OSAQELSMSA-N 1 0 375.250 2.809 20 0 GFADRO COc1ccc(C(=O)N(CC[NH+](C)C)C(C)C)cc1I ZINC000151984795 551424459 /nfs/dbraw/zinc/42/44/59/551424459.db2.gz XUSPYMSQYZMKEJ-UHFFFAOYSA-N 1 0 390.265 2.712 20 0 GFADRO O=S(=O)(c1ccc(C[NH2+][C@@H]2CCc3ccccc32)s1)N1CCOCC1 ZINC000152140671 551426828 /nfs/dbraw/zinc/42/68/28/551426828.db2.gz WBHXUFHKEAURHO-QGZVFWFLSA-N 1 0 378.519 2.546 20 0 GFADRO O=S(=O)(c1ccc(C[NH2+][C@H]2CCc3ccccc32)s1)N1CCOCC1 ZINC000152140591 551427049 /nfs/dbraw/zinc/42/70/49/551427049.db2.gz WBHXUFHKEAURHO-KRWDZBQOSA-N 1 0 378.519 2.546 20 0 GFADRO C[C@@H](Cc1ccsc1)[NH2+]Cc1ccc(S(=O)(=O)N2CCOCC2)s1 ZINC000152136125 551427055 /nfs/dbraw/zinc/42/70/55/551427055.db2.gz ORGFSAXVKQBVOT-ZDUSSCGKSA-N 1 0 386.564 2.551 20 0 GFADRO CC(C)[NH+](CCNC(=O)c1cc(Cn2cc(Br)cn2)on1)C(C)C ZINC000152276928 551429424 /nfs/dbraw/zinc/42/94/24/551429424.db2.gz MECDZPFAAYPGMC-UHFFFAOYSA-N 1 0 398.305 2.531 20 0 GFADRO Cc1cc(Br)ccc1C[NH2+]C1CCN(S(=O)(=O)C2CC2)CC1 ZINC000152350014 551431358 /nfs/dbraw/zinc/43/13/58/551431358.db2.gz YPKYEDMUUBCYNW-UHFFFAOYSA-N 1 0 387.343 2.804 20 0 GFADRO CCSCC[C@@H](C)[NH2+][C@@H](C)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000152862778 551441137 /nfs/dbraw/zinc/44/11/37/551441137.db2.gz BPIMUNKOQRGNMK-CVEARBPZSA-N 1 0 386.583 2.890 20 0 GFADRO COc1cc(C[NH2+]C[C@]2(C)CCCO2)cc(I)c1OC ZINC000152885258 551441893 /nfs/dbraw/zinc/44/18/93/551441893.db2.gz UFVURXIMLSYZPD-HNNXBMFYSA-N 1 0 391.249 2.967 20 0 GFADRO CSC[C@H](CCO)NC(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000152929023 551443188 /nfs/dbraw/zinc/44/31/88/551443188.db2.gz WIJVARYJZCTCSE-JKSUJKDBSA-N 1 0 385.599 2.934 20 0 GFADRO CCO[C@@H]1C[C@H](O)C12CC[NH+](C[C@H](O)c1ccccc1Br)CC2 ZINC000152997567 551444284 /nfs/dbraw/zinc/44/42/84/551444284.db2.gz HHAQFBRQOVFEKR-YESZJQIVSA-N 1 0 384.314 2.734 20 0 GFADRO Cc1cc(SCC(=O)NC[C@@](C)(O)C[NH+](C)C)c(C)cc1Br ZINC000153115908 551446710 /nfs/dbraw/zinc/44/67/10/551446710.db2.gz TXAJUKHZCOVJRL-MRXNPFEDSA-N 1 0 389.359 2.587 20 0 GFADRO CN(C(=O)Cc1csc(NC(=O)c2cccs2)n1)[C@@H]1CCC[N@H+](C)C1 ZINC000153596675 551456713 /nfs/dbraw/zinc/45/67/13/551456713.db2.gz IWQHNPJARKLNRL-CYBMUJFWSA-N 1 0 378.523 2.552 20 0 GFADRO COC[C@@H](O)CC[NH2+]Cc1c(C)nn(-c2ccc(Br)cc2)c1C ZINC000153782612 551460736 /nfs/dbraw/zinc/46/07/36/551460736.db2.gz QJGFWKJCJRAFSD-INIZCTEOSA-N 1 0 382.302 2.739 20 0 GFADRO Cc1ccc(Br)c(C(=O)N2CCC(C[NH+]3CCN(C)CC3)CC2)c1 ZINC000153812261 551461049 /nfs/dbraw/zinc/46/10/49/551461049.db2.gz FKXLCIBQTQUJPF-UHFFFAOYSA-N 1 0 394.357 2.857 20 0 GFADRO CCS(=O)(=O)C[C@H](C)N(C)Cc1cc(Br)cc2c1OCC2 ZINC000153906543 551462684 /nfs/dbraw/zinc/46/26/84/551462684.db2.gz BMASBQZFCCPNKE-NSHDSACASA-N 1 0 376.316 2.639 20 0 GFADRO CC[NH+](CC)C[C@H]1CCN(C(=O)C(=O)Nc2cc(C)ccc2Br)C1 ZINC000153950385 551463424 /nfs/dbraw/zinc/46/34/24/551463424.db2.gz WAKWQYGKRXCSQK-CQSZACIVSA-N 1 0 396.329 2.886 20 0 GFADRO NC(=O)[C@H](c1cccc(Br)c1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000154045433 551466136 /nfs/dbraw/zinc/46/61/36/551466136.db2.gz VUGNTVHHAURAPI-KRWDZBQOSA-N 1 0 380.330 2.783 20 0 GFADRO [NH3+]CCCCCCC(=O)Nc1ncn(Cc2cccc(Br)c2)n1 ZINC000154094553 551467625 /nfs/dbraw/zinc/46/76/25/551467625.db2.gz NMGDGMXADNMMQU-UHFFFAOYSA-N 1 0 380.290 2.937 20 0 GFADRO Cc1cc(C(=O)N2CC[C@@H]([NH3+])C[C@@H]2C)nn1-c1ccc(Br)cc1 ZINC000154277354 551470766 /nfs/dbraw/zinc/47/07/66/551470766.db2.gz HXVRHEZSPWPWMT-SMDDNHRTSA-N 1 0 377.286 2.895 20 0 GFADRO CC(C)C[C@H]([NH3+])C(=O)N1CCC(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000154385046 551473737 /nfs/dbraw/zinc/47/37/37/551473737.db2.gz JBIWRICMMDQRNP-INIZCTEOSA-N 1 0 396.329 3.000 20 0 GFADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3cc(Br)c4c(c3)OCCO4)CC[C@@H]21 ZINC000154609768 551478969 /nfs/dbraw/zinc/47/89/69/551478969.db2.gz KVZPAJHOWIBYTL-DOMZBBRYSA-N 1 0 395.297 2.777 20 0 GFADRO O=C(NCCN1CCOCC1)Nc1cc(Br)ccc1N1CCCC1 ZINC000154614577 551479293 /nfs/dbraw/zinc/47/92/93/551479293.db2.gz OIRPZGYIJXDRPB-UHFFFAOYSA-N 1 0 397.317 2.503 20 0 GFADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)COc3ccc(C=O)cc3Br)CC[C@@H]21 ZINC000154724718 551481154 /nfs/dbraw/zinc/48/11/54/551481154.db2.gz LEXCAJBCRRDNOO-ZBFHGGJFSA-N 1 0 395.297 2.583 20 0 GFADRO C[N@@H+]1CCC[C@H]2CN(C(=O)COc3ccc(C=O)cc3Br)CC[C@@H]21 ZINC000154724603 551481291 /nfs/dbraw/zinc/48/12/91/551481291.db2.gz LEXCAJBCRRDNOO-HOCLYGCPSA-N 1 0 395.297 2.583 20 0 GFADRO CN(CC[NH+]1CCCC1)C(=O)c1cc(F)c(F)cc1I ZINC000154805663 551483384 /nfs/dbraw/zinc/48/33/84/551483384.db2.gz BTYFLXIZODMZSL-UHFFFAOYSA-N 1 0 394.203 2.737 20 0 GFADRO [NH3+][C@@H]1CCCCCC[C@H]1C(=O)NCCNC(=O)c1cccc(Br)c1 ZINC000154867689 551484814 /nfs/dbraw/zinc/48/48/14/551484814.db2.gz NTTUFRBZZLEEHJ-HZPDHXFCSA-N 1 0 396.329 2.593 20 0 GFADRO C[C@](C[NH3+])(NC(=O)c1ccc(I)cc1Cl)C1CC1 ZINC000154865680 551484823 /nfs/dbraw/zinc/48/48/23/551484823.db2.gz BIKLPJRZGOQUJD-CYBMUJFWSA-N 1 0 378.641 2.802 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(=O)[nH]c2ccc(Br)cc21 ZINC000155118205 551491957 /nfs/dbraw/zinc/49/19/57/551491957.db2.gz QDJDAGGQGMFUNE-GFCCVEGCSA-N 1 0 378.270 2.505 20 0 GFADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(Cl)cc1Br ZINC000155246608 551495473 /nfs/dbraw/zinc/49/54/73/551495473.db2.gz FXDDBFDCNQHUAW-LBPRGKRZSA-N 1 0 375.694 2.943 20 0 GFADRO CCCN(CC[NH+](C)C)C(=O)c1cc(F)c(F)cc1I ZINC000155449302 551499850 /nfs/dbraw/zinc/49/98/50/551499850.db2.gz UKAPIYYTLPAGLD-UHFFFAOYSA-N 1 0 396.219 2.983 20 0 GFADRO C[NH+](C)Cc1cccc(C(=O)NCC(=O)Nc2ccc(Br)cc2)c1 ZINC000155851723 551509350 /nfs/dbraw/zinc/50/93/50/551509350.db2.gz GGFDKQPOEWUNSS-UHFFFAOYSA-N 1 0 390.281 2.879 20 0 GFADRO CS(=O)(=O)NCC[NH+]1CCC(OCc2ccc(Cl)c(Cl)c2)CC1 ZINC000155899130 551510621 /nfs/dbraw/zinc/51/06/21/551510621.db2.gz OSEQRXOCXVUNFZ-UHFFFAOYSA-N 1 0 381.325 2.524 20 0 GFADRO CC(C)[N@H+]1[C@@H]2CC[C@H]1CCN(C(=O)Nc1cc(Br)c(=O)n(C)c1)C2 ZINC000156089633 551514107 /nfs/dbraw/zinc/51/41/07/551514107.db2.gz LUEQNZJSZRZFEC-UONOGXRCSA-N 1 0 397.317 2.627 20 0 GFADRO O[C@H](C[NH2+]C1(c2cccc(Br)c2)CCC1)COC[C@H]1CCCO1 ZINC000156239140 551518399 /nfs/dbraw/zinc/51/83/99/551518399.db2.gz YJIVOJMIJXJSAG-IAGOWNOFSA-N 1 0 384.314 2.974 20 0 GFADRO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)Nc2cc(Br)c(=O)n(C)c2)C1 ZINC000156265354 551518746 /nfs/dbraw/zinc/51/87/46/551518746.db2.gz XAQVSTHLSXWIDA-LBPRGKRZSA-N 1 0 399.333 2.780 20 0 GFADRO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)c1cc(=O)[nH]c2ccc(Br)cc21 ZINC000156776578 551528255 /nfs/dbraw/zinc/52/82/55/551528255.db2.gz UHXQIBIQNXGHLR-LLVKDONJSA-N 1 0 390.281 2.505 20 0 GFADRO Cc1cccc(S(=O)(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c1Br ZINC000156868197 551529263 /nfs/dbraw/zinc/52/92/63/551529263.db2.gz BIGXBPGNXLLFIO-ZIAGYGMSSA-N 1 0 387.343 2.862 20 0 GFADRO C[C@@H](Cn1cc(Br)cn1)[NH2+]C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000157330127 551536953 /nfs/dbraw/zinc/53/69/53/551536953.db2.gz SQGKMTYIAVIIQL-STQMWFEESA-N 1 0 387.322 2.881 20 0 GFADRO CC1CC[NH+](C[C@@H](O)CNc2ccnc3cc(Br)cnc32)CC1 ZINC000157497889 551538459 /nfs/dbraw/zinc/53/84/59/551538459.db2.gz CKQSMBKVZGOEIC-AWEZNQCLSA-N 1 0 379.302 2.897 20 0 GFADRO CCCCOCCN1CCCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000157749833 551542246 /nfs/dbraw/zinc/54/22/46/551542246.db2.gz GURIIOHZWGVEMK-UHFFFAOYSA-N 1 0 380.963 2.915 20 0 GFADRO C[C@@H]1CN(C[C@H](O)C[NH2+]C2(c3ccc(Br)cc3)CCC2)C[C@@H](C)O1 ZINC000157826356 551543321 /nfs/dbraw/zinc/54/33/21/551543321.db2.gz DEFACDYKZKYNON-IIDMSEBBSA-N 1 0 397.357 2.888 20 0 GFADRO CCO[C@@H](CC[NH+](C)C)CNC(=O)Cc1c[nH]c2cccc(Br)c12 ZINC000158174755 551547742 /nfs/dbraw/zinc/54/77/42/551547742.db2.gz BHXMGFMHRGDTHA-AWEZNQCLSA-N 1 0 396.329 2.946 20 0 GFADRO CCOc1cc(C[NH2+]CCN(C)S(=O)(=O)c2cccs2)ccc1OC ZINC000158277081 551549638 /nfs/dbraw/zinc/54/96/38/551549638.db2.gz LCOGUEODFHPIKB-UHFFFAOYSA-N 1 0 384.523 2.566 20 0 GFADRO [NH3+]C[C@H]1CCCC[C@H]1NC(=O)c1ccc(F)cc1I ZINC000158666577 551554855 /nfs/dbraw/zinc/55/48/55/551554855.db2.gz ISSMAOQTAIGTQN-NOZJJQNGSA-N 1 0 376.213 2.678 20 0 GFADRO COC(=O)c1cc(Cl)ccc1S(=O)(=O)NC[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000158722999 551555674 /nfs/dbraw/zinc/55/56/74/551555674.db2.gz YPKBNBIHUSPTNA-STQMWFEESA-N 1 0 388.917 2.525 20 0 GFADRO O=C([C@H]1CCN(c2cc(Cl)ccc2Cl)C1=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000158839498 551557528 /nfs/dbraw/zinc/55/75/28/551557528.db2.gz LOCVLNXIEFHRCY-FZKQIMNGSA-N 1 0 382.291 2.558 20 0 GFADRO C[NH2+]C[C@@H](C)C(=O)Nc1cc(Cl)c(NC(=O)c2cnccn2)c(Cl)c1 ZINC000158925053 551558847 /nfs/dbraw/zinc/55/88/47/551558847.db2.gz WLCLSDBUGGTOOQ-SECBINFHSA-N 1 0 382.251 2.830 20 0 GFADRO Nc1ncc(Cl)cc1S(=O)(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000158925445 551558931 /nfs/dbraw/zinc/55/89/31/551558931.db2.gz JVRFOBDBQPPDJM-UHFFFAOYSA-N 1 0 386.949 2.594 20 0 GFADRO O=C(c1ccc(I)cc1Cl)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159150644 551561376 /nfs/dbraw/zinc/56/13/76/551561376.db2.gz RHAMWECTWQOIDN-PHIMTYICSA-N 1 0 390.652 2.911 20 0 GFADRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)c2cncc(I)c2)C1 ZINC000161567754 551595899 /nfs/dbraw/zinc/59/58/99/551595899.db2.gz GZMSQSGOWUCXKM-GFCCVEGCSA-N 1 0 387.265 2.536 20 0 GFADRO CS(=O)(=O)CCCC[NH2+]C1(c2cccc(Br)c2)CCOCC1 ZINC000161596300 551596500 /nfs/dbraw/zinc/59/65/00/551596500.db2.gz VMZLYZJJXVRMCF-UHFFFAOYSA-N 1 0 390.343 2.869 20 0 GFADRO [NH3+][C@@H]1CCC[C@H](NC(=O)CCc2nc(-c3cc(Br)cs3)no2)C1 ZINC000161721442 551597746 /nfs/dbraw/zinc/59/77/46/551597746.db2.gz HNYZBNRKZSVDGZ-MNOVXSKESA-N 1 0 399.314 2.879 20 0 GFADRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)c2cc(Br)c3c(c2)OCCO3)C1 ZINC000161790035 551598206 /nfs/dbraw/zinc/59/82/06/551598206.db2.gz SSNGWSYDYDDJRZ-ZDUSSCGKSA-N 1 0 397.313 2.928 20 0 GFADRO CCCC[C@@H](C[NH3+])NC(=O)c1cc(S(=O)(=O)N(CC)CC)ccc1Cl ZINC000162725134 551612285 /nfs/dbraw/zinc/61/22/85/551612285.db2.gz VWYRKQXSUMFUKO-ZDUSSCGKSA-N 1 0 389.949 2.618 20 0 GFADRO CC[S@@](=O)[C@@H]1CCC[C@H]([NH2+][C@@H](C)c2cccc(S(=O)(=O)N(C)C)c2)C1 ZINC000162808026 551613237 /nfs/dbraw/zinc/61/32/37/551613237.db2.gz IECXJIPVMRSMLM-IFMRZRKXSA-N 1 0 386.583 2.667 20 0 GFADRO C[C@H](NC(=O)C[C@@H]1CCC[NH2+]1)c1nc(-c2ccc(Br)cc2)no1 ZINC000163134448 551616764 /nfs/dbraw/zinc/61/67/64/551616764.db2.gz YLUZOIAGZIRIGD-GWCFXTLKSA-N 1 0 379.258 2.818 20 0 GFADRO Cc1ccc(CN(CC[NH+](C)C)C(=O)c2cc(Br)c(C)[nH]c2=O)o1 ZINC000164202329 551624795 /nfs/dbraw/zinc/62/47/95/551624795.db2.gz SVBBMMHIYHRZKE-UHFFFAOYSA-N 1 0 396.285 2.964 20 0 GFADRO CC(C)([NH3+])C(=O)N1CCN(c2ccc(Br)cc2C(F)(F)F)CC1 ZINC000167284351 551633053 /nfs/dbraw/zinc/63/30/53/551633053.db2.gz JPMAJBCZSONXIM-UHFFFAOYSA-N 1 0 394.235 2.854 20 0 GFADRO [NH3+][C@@H](Cc1ccccc1)C(=O)N[C@H]1CCN(c2ccccc2Br)C1 ZINC000168634841 551634605 /nfs/dbraw/zinc/63/46/05/551634605.db2.gz WUOMNSAPATZYLY-RDJZCZTQSA-N 1 0 388.309 2.714 20 0 GFADRO C[C@H](C(=O)Nc1ccc(Br)cc1)[N@@H+]1CCC[C@H](CCC(N)=O)C1 ZINC000170737667 551638822 /nfs/dbraw/zinc/63/88/22/551638822.db2.gz AWDTXBGKNTXHNM-CHWSQXEVSA-N 1 0 382.302 2.754 20 0 GFADRO O=S(=O)(c1cc(Br)ccc1Cl)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171770866 551663549 /nfs/dbraw/zinc/66/35/49/551663549.db2.gz DIRZHYBPQXJBQY-LLVKDONJSA-N 1 0 379.707 2.571 20 0 GFADRO O=C(NCC[NH2+]Cc1cccc2c1OCCO2)c1cccc(Br)c1 ZINC000172122983 551670756 /nfs/dbraw/zinc/67/07/56/551670756.db2.gz WEUOKYCHNHCXPJ-UHFFFAOYSA-N 1 0 391.265 2.740 20 0 GFADRO C[NH+](C)C[C@H]1CCN(C(=O)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000172291475 551675486 /nfs/dbraw/zinc/67/54/86/551675486.db2.gz YXRORZSPVXNYER-SNVBAGLBSA-N 1 0 377.794 2.707 20 0 GFADRO O[C@@H](CN1CC[NH+](CC2CCOCC2)CC1)c1cccc(Br)c1 ZINC000172425937 551678842 /nfs/dbraw/zinc/67/88/42/551678842.db2.gz RBOLPVXZGWOJIW-SFHVURJKSA-N 1 0 383.330 2.527 20 0 GFADRO O=C(c1ccc(Br)cc1F)N1CC[NH+](CC2CCOCC2)CC1 ZINC000172460663 551679488 /nfs/dbraw/zinc/67/94/88/551679488.db2.gz AIBPIBWNEQONPP-UHFFFAOYSA-N 1 0 385.277 2.773 20 0 GFADRO O=C(COc1ccc(Cl)c(Cl)c1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000172464317 551680065 /nfs/dbraw/zinc/68/00/65/551680065.db2.gz FGLPZIFSDGCWTP-UHFFFAOYSA-N 1 0 387.307 2.943 20 0 GFADRO C[C@H](C(=O)N[C@@H](C)[C@@H](C)N1CCOCC1)c1ccc(Br)s1 ZINC000173084002 551694798 /nfs/dbraw/zinc/69/47/98/551694798.db2.gz DSAZKGUBSZCUEJ-SDDRHHMPSA-N 1 0 375.332 2.840 20 0 GFADRO C[C@@H]1[C@H](C)N(C(=O)C(=O)Nc2cc(Cl)ccc2Br)CCN1C ZINC000442248559 563769943 /nfs/dbraw/zinc/76/99/43/563769943.db2.gz FHQQWEWMOXFJTM-ZJUUUORDSA-N 1 0 388.693 2.592 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)Nc2cc(Cl)ccc2Br)C1 ZINC000415453229 563777042 /nfs/dbraw/zinc/77/70/42/563777042.db2.gz UQEPDPCHXAJYFM-UWVGGRQHSA-N 1 0 388.693 2.627 20 0 GFADRO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)Nc1cccc(Cl)c1Br ZINC000415506419 563780079 /nfs/dbraw/zinc/78/00/79/563780079.db2.gz RMSQJMLMJQUSPU-LLVKDONJSA-N 1 0 390.709 2.873 20 0 GFADRO Cc1c(Br)cccc1C(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000173123556 552078143 /nfs/dbraw/zinc/07/81/43/552078143.db2.gz QTWLOBXZSCKYOT-MRXNPFEDSA-N 1 0 394.357 3.000 20 0 GFADRO Brc1ccc(C2([NH2+]CCCN3CCOCC3)CCOCC2)cc1 ZINC000173234541 552080583 /nfs/dbraw/zinc/08/05/83/552080583.db2.gz YUPZCOMOWKPEPE-UHFFFAOYSA-N 1 0 383.330 2.767 20 0 GFADRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)S(=O)(=O)c1ccc(F)cc1Br ZINC000173240955 552080685 /nfs/dbraw/zinc/08/06/85/552080685.db2.gz ZYUMPZUPIRMUPY-GWCFXTLKSA-N 1 0 379.295 2.549 20 0 GFADRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)S(=O)(=O)c1cc(Br)c(F)cc1F ZINC000173248425 552081244 /nfs/dbraw/zinc/08/12/44/552081244.db2.gz RVMQJCZFFWZURV-ZANVPECISA-N 1 0 397.285 2.688 20 0 GFADRO C[C@H]([NH2+]C[C@@H](c1cccs1)N(C)C)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000173296011 552082176 /nfs/dbraw/zinc/08/21/76/552082176.db2.gz ONPVRSPTPNCFKI-YOEHRIQHSA-N 1 0 381.567 2.952 20 0 GFADRO C[C@@H]([NH2+]CC1CCN(S(C)(=O)=O)CC1)c1cccc(Br)c1 ZINC000173367404 552084506 /nfs/dbraw/zinc/08/45/06/552084506.db2.gz PKSSUDAKCPIIED-GFCCVEGCSA-N 1 0 375.332 2.771 20 0 GFADRO CC[NH+](CC)C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(C)c(Br)c2)C1 ZINC000173611804 552089153 /nfs/dbraw/zinc/08/91/53/552089153.db2.gz ZDLSEYXNXLIFQQ-AWEZNQCLSA-N 1 0 396.329 2.886 20 0 GFADRO CCN1CCN(C(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc(OC)c(Br)c2)CC1 ZINC000173654506 552090491 /nfs/dbraw/zinc/09/04/91/552090491.db2.gz VOFDTGRCKJWVLU-UONOGXRCSA-N 1 0 398.345 2.661 20 0 GFADRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2c[nH]c(=O)c(Br)c2)C1 ZINC000173662282 552090498 /nfs/dbraw/zinc/09/04/98/552090498.db2.gz XIOABHZOPCRMLK-GFCCVEGCSA-N 1 0 384.318 2.768 20 0 GFADRO CC[NH+](CC)[C@@H]1CCN(CC(=O)N(C)Cc2cc(Br)cs2)C1 ZINC000173843256 552093921 /nfs/dbraw/zinc/09/39/21/552093921.db2.gz XEEFKWUSUHOPDH-CQSZACIVSA-N 1 0 388.375 2.885 20 0 GFADRO O=S(=O)(c1ccc(Cl)cc1F)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000173853658 552094353 /nfs/dbraw/zinc/09/43/53/552094353.db2.gz LRPJEKKWSBAMFF-UHFFFAOYSA-N 1 0 390.908 2.745 20 0 GFADRO C[NH+]1CCN(CCOc2ccc(NC(=O)CSC(F)(F)F)cc2)CC1 ZINC000174046949 552097480 /nfs/dbraw/zinc/09/74/80/552097480.db2.gz ILDUIJRFMKVRMN-UHFFFAOYSA-N 1 0 377.432 2.504 20 0 GFADRO Cn1ccc(N2CCC[C@@H]([NH2+][C@H]3CCc4c3cccc4Br)C2=O)n1 ZINC000174049145 552098105 /nfs/dbraw/zinc/09/81/05/552098105.db2.gz GHLHMVIFGRFWEE-JKSUJKDBSA-N 1 0 389.297 2.955 20 0 GFADRO COCCOC[C@@H]1CC[N@H+](CC(=O)N(C)Cc2ccc(Cl)c(Cl)c2)C1 ZINC000174102390 552099022 /nfs/dbraw/zinc/09/90/22/552099022.db2.gz LKIYRGXNDZSAEY-OAHLLOKOSA-N 1 0 389.323 2.937 20 0 GFADRO COCCOC[C@H]1CC[N@H+](Cc2cc(OC)c(OC)cc2Br)C1 ZINC000174120615 552099381 /nfs/dbraw/zinc/09/93/81/552099381.db2.gz NSULSNQXFPSUNU-ZDUSSCGKSA-N 1 0 388.302 2.951 20 0 GFADRO CC[C@@H](CO)[NH+]1CCN(Cc2ncc(-c3cccc(Br)c3)o2)CC1 ZINC000174132399 552100211 /nfs/dbraw/zinc/10/02/11/552100211.db2.gz ZWJVJMNLTHOFHH-INIZCTEOSA-N 1 0 394.313 2.993 20 0 GFADRO CC[C@H](CO)[NH+]1CCN(CC(=O)N[C@@H](C)c2ccc(Cl)c(Cl)c2)CC1 ZINC000174133927 552100306 /nfs/dbraw/zinc/10/03/06/552100306.db2.gz UEGBPCBTYWQAOF-DZGCQCFKSA-N 1 0 388.339 2.559 20 0 GFADRO CC(C)(C(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1)c1ccc(Br)cc1 ZINC000174192914 552101731 /nfs/dbraw/zinc/10/17/31/552101731.db2.gz IQEHRSGKPIENOS-HNNXBMFYSA-N 1 0 395.341 2.907 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CNC(=O)NCCC(=O)Nc1ccc(Br)cc1 ZINC000174200699 552101836 /nfs/dbraw/zinc/10/18/36/552101836.db2.gz JKFSSWZPJOLDQP-HNNXBMFYSA-N 1 0 397.317 2.561 20 0 GFADRO CCC[N@H+](CC)CCNC(=O)C[C@@H](NC(C)=O)c1ccc(Br)cc1 ZINC000174669855 552108086 /nfs/dbraw/zinc/10/80/86/552108086.db2.gz CXNFLQMBXCSIMH-QGZVFWFLSA-N 1 0 398.345 2.865 20 0 GFADRO Cc1ccc([C@@H](O)C[NH+]2CCC(NS(=O)(=O)c3cccs3)CC2)cc1 ZINC000174701743 552108479 /nfs/dbraw/zinc/10/84/79/552108479.db2.gz VTCMWQKBIAIMSN-KRWDZBQOSA-N 1 0 380.535 2.533 20 0 GFADRO NS(=O)(=O)c1ccc(NC2CC[NH+](CC3CC3)CC2)c(C(F)(F)F)c1 ZINC000174692629 552108642 /nfs/dbraw/zinc/10/86/42/552108642.db2.gz CEPVXGMHANUOBT-UHFFFAOYSA-N 1 0 377.432 2.639 20 0 GFADRO CCC[N@H+](C)C[C@H]1CCN([C@H](C(N)=O)c2ccc(Br)cc2F)C1 ZINC000174957405 552113259 /nfs/dbraw/zinc/11/32/59/552113259.db2.gz YGFMOALEKJJBAF-WBMJQRKESA-N 1 0 386.309 2.778 20 0 GFADRO C[NH+](C)[C@H]1CCC[C@H](NS(=O)(=O)c2cc(Br)ccc2F)C1 ZINC000175078804 552115443 /nfs/dbraw/zinc/11/54/43/552115443.db2.gz YJINTSXTCBYDLM-RYUDHWBXSA-N 1 0 379.295 2.739 20 0 GFADRO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CCS(=O)(=O)c1ccc(Cl)cc1 ZINC000175436960 552121787 /nfs/dbraw/zinc/12/17/87/552121787.db2.gz JVWIVKLDKIDAMG-JKSUJKDBSA-N 1 0 384.929 2.589 20 0 GFADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)NCCCc1ccc(Cl)cc1Cl ZINC000175480750 552122988 /nfs/dbraw/zinc/12/29/88/552122988.db2.gz CBUNAUVUCPUPGF-CQSZACIVSA-N 1 0 387.355 2.861 20 0 GFADRO C[NH+](C)CCN(Cc1cccs1)C(=O)c1ccc2c(c1)NC(=O)CS2 ZINC000175666104 552126400 /nfs/dbraw/zinc/12/64/00/552126400.db2.gz WAQGGASJSYFCTI-UHFFFAOYSA-N 1 0 375.519 2.996 20 0 GFADRO O=C([C@H]1C[C@@H]1c1cccc(Br)c1)N1CC[NH+](C2CCOCC2)CC1 ZINC000175863188 552130215 /nfs/dbraw/zinc/13/02/15/552130215.db2.gz RZZJCJPWOABDNR-MSOLQXFVSA-N 1 0 393.325 2.876 20 0 GFADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)c1ccc(C=O)[nH]1 ZINC000175915023 552132083 /nfs/dbraw/zinc/13/20/83/552132083.db2.gz ITZYIGZXWRQBGZ-UHFFFAOYSA-N 1 0 378.270 2.794 20 0 GFADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CCc2ccc(Br)cc2)C1 ZINC000175942011 552132597 /nfs/dbraw/zinc/13/25/97/552132597.db2.gz LGMCWSFTLVZLLT-QGZVFWFLSA-N 1 0 383.330 2.855 20 0 GFADRO CN(CC[NH+](C)C)C(=O)NCc1cc(Br)ccc1OC(F)F ZINC000176298305 552137688 /nfs/dbraw/zinc/13/76/88/552137688.db2.gz OFCYRDFMFIHAGN-UHFFFAOYSA-N 1 0 380.233 2.754 20 0 GFADRO CCOc1cc(Br)c(CC(=O)N(C)CC[NH+](C)C)cc1OCC ZINC000176803713 552146229 /nfs/dbraw/zinc/14/62/29/552146229.db2.gz SJQKAHCSIBMPTD-UHFFFAOYSA-N 1 0 387.318 2.809 20 0 GFADRO C[NH+](C)C1(CNC(=O)C[C@@H](O)c2cc(Cl)cc(Cl)c2)CCOCC1 ZINC000177163019 552150810 /nfs/dbraw/zinc/15/08/10/552150810.db2.gz YURJNELAROXEIL-OAHLLOKOSA-N 1 0 375.296 2.644 20 0 GFADRO Cc1csc(C2([NH2+]C[C@@H](O)c3ccc(S(C)(=O)=O)cc3)CCCC2)n1 ZINC000177171526 552151303 /nfs/dbraw/zinc/15/13/03/552151303.db2.gz LIUHYFDLTUUBPA-MRXNPFEDSA-N 1 0 380.535 2.948 20 0 GFADRO C[C@@H](CC(=O)N1CCCCCC1)[NH2+]CCS(=O)(=O)c1ccc(Cl)cc1 ZINC000177970169 552161847 /nfs/dbraw/zinc/16/18/47/552161847.db2.gz VZIQVUYKYKTZJA-HNNXBMFYSA-N 1 0 386.945 2.885 20 0 GFADRO C[C@@H](Oc1cc(Cl)cc(Cl)c1)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000178104581 552164056 /nfs/dbraw/zinc/16/40/56/552164056.db2.gz RSOPPJXXRUIONI-KGLIPLIRSA-N 1 0 387.307 2.941 20 0 GFADRO C[C@@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1CC(=O)N(C)Cc1cc(Br)cs1 ZINC000443327162 563800883 /nfs/dbraw/zinc/80/08/83/563800883.db2.gz FMVZNYHWXOSVMV-JMSVASOKSA-N 1 0 389.359 2.950 20 0 GFADRO O=S(=O)(Cc1ccc(Br)cc1)NC1CC[NH+](CC2CC2)CC1 ZINC000178306076 552168554 /nfs/dbraw/zinc/16/85/54/552168554.db2.gz ABQDUOOFIYBENS-UHFFFAOYSA-N 1 0 387.343 2.743 20 0 GFADRO COC(=O)c1ccc(Cl)cc1S(=O)(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000178517966 552172196 /nfs/dbraw/zinc/17/21/96/552172196.db2.gz DFNCFWQMNADZHU-ZDUSSCGKSA-N 1 0 388.917 2.527 20 0 GFADRO COC(=O)c1ccc(Cl)cc1S(=O)(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000178814274 552176035 /nfs/dbraw/zinc/17/60/35/552176035.db2.gz IPEGSCLFRURKRP-AWEZNQCLSA-N 1 0 388.917 2.622 20 0 GFADRO O=C(C[C@@H]1CCC[NH2+]1)N[C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000178842829 552177232 /nfs/dbraw/zinc/17/72/32/552177232.db2.gz BNYMHXYPMQVLGH-RYUDHWBXSA-N 1 0 376.810 2.591 20 0 GFADRO CC(=O)N[C@@H](CC(=O)N1CCC([C@@H](C)[NH3+])CC1)c1ccc(Br)cc1 ZINC000178858898 552177776 /nfs/dbraw/zinc/17/77/76/552177776.db2.gz ITOIXTFYCGWMBP-PXAZEXFGSA-N 1 0 396.329 2.602 20 0 GFADRO Cc1nn(-c2ccc(C(=O)NCC[C@@H]3CC[NH2+]C3)cc2)c(C)c1Br ZINC000178956530 552180245 /nfs/dbraw/zinc/18/02/45/552180245.db2.gz JDRJEHNDSJGSQZ-AWEZNQCLSA-N 1 0 391.313 2.981 20 0 GFADRO O=C(NC1CC[NH+](CC2CC2)CC1)[C@H]1COc2ccc(Br)cc21 ZINC000179005556 552181796 /nfs/dbraw/zinc/18/17/96/552181796.db2.gz XWAHSBJKDMJHOJ-INIZCTEOSA-N 1 0 379.298 2.916 20 0 GFADRO C[NH2+]C[C@H]1CCN(C(=O)c2cc(Br)sc2Br)C1 ZINC000179009743 552182243 /nfs/dbraw/zinc/18/22/43/552182243.db2.gz MYEQIOATQDHJOX-SSDOTTSWSA-N 1 0 382.121 2.955 20 0 GFADRO CC[N@H+](CC(=O)NC[C@@H]1CCN(c2ccc(Br)cc2)C1)C1CC1 ZINC000179159969 552185543 /nfs/dbraw/zinc/18/55/43/552185543.db2.gz ZXAWNCIZSZXHHG-AWEZNQCLSA-N 1 0 380.330 2.876 20 0 GFADRO COC[C@@H](C)[N@H+](C)Cc1cc(I)c(OC)c(OC)c1 ZINC000179372355 552191284 /nfs/dbraw/zinc/19/12/84/552191284.db2.gz UTQAMAVCZBOYTG-SNVBAGLBSA-N 1 0 379.238 2.775 20 0 GFADRO Cc1cc(C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)c(C)cc1Br ZINC000179419748 552193066 /nfs/dbraw/zinc/19/30/66/552193066.db2.gz QLNQBPORXHKXRB-HNNXBMFYSA-N 1 0 381.314 2.860 20 0 GFADRO COCC[N@H+](C)CCCC1CCN(S(=O)(=O)c2sc(C)nc2C)CC1 ZINC000179617435 552197585 /nfs/dbraw/zinc/19/75/85/552197585.db2.gz YFBGPHNJMMEGLY-UHFFFAOYSA-N 1 0 389.587 2.519 20 0 GFADRO CCC(CC)[C@H](CNC(=O)C(=O)Nc1ccc(C)nc1Br)[NH+](C)C ZINC000179727653 552201179 /nfs/dbraw/zinc/20/11/79/552201179.db2.gz WCLVARBXOIAVBE-AWEZNQCLSA-N 1 0 399.333 2.574 20 0 GFADRO Brc1cc(CN2CC[NH+](C3CCOCC3)CC2)cc2c1OCCO2 ZINC000179848966 552205020 /nfs/dbraw/zinc/20/50/20/552205020.db2.gz IECMOOJUYUUXFO-UHFFFAOYSA-N 1 0 397.313 2.517 20 0 GFADRO C[C@H]([NH2+]C[C@@H](c1ccccc1Cl)N(C)C)c1ccc(S(N)(=O)=O)cc1 ZINC000179973061 552208648 /nfs/dbraw/zinc/20/86/48/552208648.db2.gz JGVHXQMDKMUKJB-UGSOOPFHSA-N 1 0 381.929 2.941 20 0 GFADRO CCn1ccnc1[C@H](NCCOC)c1ccc(I)cc1 ZINC000180156529 552215663 /nfs/dbraw/zinc/21/56/63/552215663.db2.gz BOIPLTMXDRKQPF-CQSZACIVSA-N 1 0 385.249 2.833 20 0 GFADRO CCn1ccnc1[C@H](NCC(C)(C)O)c1ccc(I)cc1 ZINC000180165145 552215676 /nfs/dbraw/zinc/21/56/76/552215676.db2.gz AXHOZXLYHRQCHF-CQSZACIVSA-N 1 0 399.276 2.958 20 0 GFADRO COc1ccc([C@@H]([NH2+]C[C@H](O)CS(=O)(=O)c2cccs2)C(C)C)cc1 ZINC000180201325 552217487 /nfs/dbraw/zinc/21/74/87/552217487.db2.gz QCZMHTAZKJLBCQ-YJBOKZPZSA-N 1 0 383.535 2.878 20 0 GFADRO CC[NH+](CC)C[C@@H]1CCN(S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)C1 ZINC000180357894 552224163 /nfs/dbraw/zinc/22/41/63/552224163.db2.gz FEXQMFUBLFHHGU-VIFPVBQESA-N 1 0 386.386 2.735 20 0 GFADRO Cc1nc(C(C)C)sc1[C@H](C)[NH2+]CCS(=O)(=O)NC[C@H]1CCCCO1 ZINC000180746143 552234376 /nfs/dbraw/zinc/23/43/76/552234376.db2.gz CCLVGFYCAPNPNN-DZGCQCFKSA-N 1 0 389.587 2.714 20 0 GFADRO CC[C@@H]([NH2+]CCS(=O)(=O)NC[C@@H]1CCCCO1)c1ccc(Cl)s1 ZINC000180745153 552234676 /nfs/dbraw/zinc/23/46/76/552234676.db2.gz FRFCLYJOXDWACK-QWHCGFSZSA-N 1 0 380.963 2.931 20 0 GFADRO COc1ccc([C@@H](C)[NH2+]CC2CCN(S(=O)(=O)C(F)F)CC2)c(F)c1 ZINC000180801707 552236212 /nfs/dbraw/zinc/23/62/12/552236212.db2.gz DXQCVXSYSYAHEE-LLVKDONJSA-N 1 0 380.432 2.749 20 0 GFADRO CC(C)(C)S(=O)(=O)CC[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000180808752 552236556 /nfs/dbraw/zinc/23/65/56/552236556.db2.gz UASYGZXVDWEZOU-UHFFFAOYSA-N 1 0 386.945 2.748 20 0 GFADRO CCc1ccc([C@@H](C)[NH2+]C2CCN(S(=O)(=O)C3CCOCC3)CC2)s1 ZINC000180984518 552242141 /nfs/dbraw/zinc/24/21/41/552242141.db2.gz XFBUDKPVJKFZSD-CQSZACIVSA-N 1 0 386.583 2.934 20 0 GFADRO C[C@@H]([NH2+][C@@H]1CC(=O)N(CCN2CCOCC2)C1)c1cccc(Cl)c1Cl ZINC000181039119 552243778 /nfs/dbraw/zinc/24/37/78/552243778.db2.gz DFRVPAJUYCIHQL-ZIAGYGMSSA-N 1 0 386.323 2.577 20 0 GFADRO C[N@H+](CCCCCn1cccn1)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000181068313 552245400 /nfs/dbraw/zinc/24/54/00/552245400.db2.gz BWGBSDIZSGDJMS-MRXNPFEDSA-N 1 0 379.302 2.974 20 0 GFADRO COc1ccc(C(=O)N2C[C@H]([NH+](C)C)Cc3ccccc32)nc1Br ZINC000181090362 552246324 /nfs/dbraw/zinc/24/63/24/552246324.db2.gz MAQPGDDDJKVDOL-CYBMUJFWSA-N 1 0 390.281 2.986 20 0 GFADRO Cn1ncc(C(=O)N(CCC[NH+](C)C)Cc2ccc(Cl)c(Cl)c2)c1N ZINC000181177013 552249244 /nfs/dbraw/zinc/24/92/44/552249244.db2.gz UMSRMTKEVNPFIF-UHFFFAOYSA-N 1 0 384.311 2.903 20 0 GFADRO C[C@H](COc1ccc2cc(Br)ccc2c1)[NH2+]CC1(CO)COC1 ZINC000181542764 552260669 /nfs/dbraw/zinc/26/06/69/552260669.db2.gz HKKASXUPAHKCSL-CYBMUJFWSA-N 1 0 380.282 2.968 20 0 GFADRO COc1ccc([C@@H](C)[C@H](C)[NH2+]C[C@H](O)CS(=O)(=O)c2cccs2)cc1 ZINC000181634603 552263217 /nfs/dbraw/zinc/26/32/17/552263217.db2.gz BOCGGJLNQKMBLR-DZKIICNBSA-N 1 0 383.535 2.673 20 0 GFADRO C[C@H]([NH2+]C[C@H]1CCN(S(C)(=O)=O)C1)c1ccc(F)c(Br)c1 ZINC000181681134 552265190 /nfs/dbraw/zinc/26/51/90/552265190.db2.gz VMAVNVBWZYZJMB-WDEREUQCSA-N 1 0 379.295 2.520 20 0 GFADRO C[C@@H]([NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1)c1ccc(F)c(Br)c1 ZINC000181681114 552265231 /nfs/dbraw/zinc/26/52/31/552265231.db2.gz VMAVNVBWZYZJMB-MNOVXSKESA-N 1 0 379.295 2.520 20 0 GFADRO C[C@H]([NH2+]C[C@H]1CCN(S(C)(=O)=O)C1)c1ccc(F)cc1Br ZINC000181680605 552265280 /nfs/dbraw/zinc/26/52/80/552265280.db2.gz OFPZNVACIKNTBA-WDEREUQCSA-N 1 0 379.295 2.520 20 0 GFADRO C[C@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH2+]C[C@@]1(O)CCOC1 ZINC000181729813 552266337 /nfs/dbraw/zinc/26/63/37/552266337.db2.gz FAGWTWALEGKXMK-BMIGLBTASA-N 1 0 380.794 2.817 20 0 GFADRO CNC(=O)[C@H]1CCC[N@H+](Cc2cc3c(cc2Br)OCCCO3)C1 ZINC000182267446 552279601 /nfs/dbraw/zinc/27/96/01/552279601.db2.gz WQAOYPPDELMOHL-LBPRGKRZSA-N 1 0 383.286 2.568 20 0 GFADRO CCOC(=O)COc1c(Br)cc(C)cc1C[NH2+][C@@H](C)[C@@H](C)CO ZINC000182280124 552280140 /nfs/dbraw/zinc/28/01/40/552280140.db2.gz HTPZFKPRXYFEMM-STQMWFEESA-N 1 0 388.302 2.806 20 0 GFADRO CCOC(=O)COc1c(Br)cc(C)cc1C[NH2+]C[C@@H]1CCCN1C ZINC000182274752 552280445 /nfs/dbraw/zinc/28/04/45/552280445.db2.gz PIVNBCZXZBYOKF-HNNXBMFYSA-N 1 0 399.329 2.883 20 0 GFADRO COC(=O)[C@@H](CC(C)C)NC(=O)C[NH2+][C@H](C)c1ccc(Br)cc1 ZINC000182394857 552283118 /nfs/dbraw/zinc/28/31/18/552283118.db2.gz ATMJXLJSCHUECE-IUODEOHRSA-N 1 0 385.302 2.804 20 0 GFADRO COC(=O)c1cc(NC(=O)N2CC[C@@H]([NH+]3CCCC3)C2)ccc1Br ZINC000182625281 552288986 /nfs/dbraw/zinc/28/89/86/552288986.db2.gz FIHJNTJVSZHWJV-CYBMUJFWSA-N 1 0 396.285 2.938 20 0 GFADRO COc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2S(C)(=O)=O)cc1Br ZINC000182753325 552292106 /nfs/dbraw/zinc/29/21/06/552292106.db2.gz ZGYYFYLJFPOGAK-HIFRSBDPSA-N 1 0 376.316 2.903 20 0 GFADRO CCS(=O)(=O)C[C@@H](C)[NH2+][C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000182969031 552297418 /nfs/dbraw/zinc/29/74/18/552297418.db2.gz UWSUVRDRDWUYJU-CZUORRHYSA-N 1 0 378.460 2.693 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCN(c2ccc(Cl)cc2)C1)c1ccc(S(N)(=O)=O)cc1 ZINC000183337164 552306346 /nfs/dbraw/zinc/30/63/46/552306346.db2.gz OTZQCSNWLUKNLX-XJKSGUPXSA-N 1 0 379.913 2.917 20 0 GFADRO COC(=O)[C@H](c1cccc(Cl)c1Cl)N1CC[NH+](CC(C)(C)O)CC1 ZINC000183564296 552313313 /nfs/dbraw/zinc/31/33/13/552313313.db2.gz DJWZIBHXTORVAF-HNNXBMFYSA-N 1 0 375.296 2.596 20 0 GFADRO CC[NH+]1CCN(CCNC(=O)c2cc3cc(C)cc(Br)c3o2)CC1 ZINC000183588072 552313991 /nfs/dbraw/zinc/31/39/91/552313991.db2.gz YCAPCGDWXOFTHD-UHFFFAOYSA-N 1 0 394.313 2.871 20 0 GFADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1cccc(Br)c1Cl ZINC000183624943 552315212 /nfs/dbraw/zinc/31/52/12/552315212.db2.gz XWCWUAVYHXKHKM-LLVKDONJSA-N 1 0 375.694 2.943 20 0 GFADRO C[N@@H+]1CCC[C@@H](CNC(=O)N2CCc3c(Br)ccc(F)c3C2)C1 ZINC000183694258 552316881 /nfs/dbraw/zinc/31/68/81/552316881.db2.gz TZKWFHQQRBZNIA-LBPRGKRZSA-N 1 0 384.293 2.998 20 0 GFADRO OC[C@@H]([NH2+]C[C@@H](O)COCc1ccccc1)c1cccc(Br)c1 ZINC000183914253 552322716 /nfs/dbraw/zinc/32/27/16/552322716.db2.gz CGQZFWDLUUCULZ-QZTJIDSGSA-N 1 0 380.282 2.650 20 0 GFADRO CN1CC[NH+](CCC(C)(C)NC(=O)COc2ccc(Cl)cc2Cl)CC1 ZINC000184167328 552328629 /nfs/dbraw/zinc/32/86/29/552328629.db2.gz GAYXDGHLEXQEKF-UHFFFAOYSA-N 1 0 388.339 2.905 20 0 GFADRO Cc1nc(-c2cccs2)sc1C(=O)N[C@H](C)CC[NH+]1CCN(C)CC1 ZINC000184387327 552334635 /nfs/dbraw/zinc/33/46/35/552334635.db2.gz GTJFMNOWZLKGJA-CYBMUJFWSA-N 1 0 378.567 2.936 20 0 GFADRO C[C@@H]([NH2+]CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1)C1CCCC1 ZINC000184669648 552341661 /nfs/dbraw/zinc/34/16/61/552341661.db2.gz VRABMQWTDGCBFJ-GFCCVEGCSA-N 1 0 387.933 2.697 20 0 GFADRO Cc1ccc(NC(=O)[C@H](C)[NH2+][C@@H]2CCCC[C@@H]2C(N)=O)c(Br)c1 ZINC000184812344 552344879 /nfs/dbraw/zinc/34/48/79/552344879.db2.gz PWDKKXFYYOXDBD-SGMGOOAPSA-N 1 0 382.302 2.718 20 0 GFADRO CCOC(=O)C[C@@H](NC(=O)C[N@H+](C)C(C)C)c1cccc(Br)c1 ZINC000184853409 552345790 /nfs/dbraw/zinc/34/57/90/552345790.db2.gz WCSKUMCKQFFJIC-OAHLLOKOSA-N 1 0 385.302 2.900 20 0 GFADRO CCOC(=O)C[C@H](NC(=O)C1CC[NH+](C)CC1)c1cccc(Br)c1 ZINC000184854362 552345882 /nfs/dbraw/zinc/34/58/82/552345882.db2.gz DUNAYOVREVCWQO-INIZCTEOSA-N 1 0 397.313 2.901 20 0 GFADRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)S(=O)(=O)c1ccc(Br)cc1F ZINC000184913735 552347799 /nfs/dbraw/zinc/34/77/99/552347799.db2.gz UOLUANKAWHTOHG-MFKMUULPSA-N 1 0 379.295 2.549 20 0 GFADRO [NH3+][C@H]1CC[C@H]2CN(C(=O)c3ccc(I)cc3Cl)C[C@H]21 ZINC000185097829 552354167 /nfs/dbraw/zinc/35/41/67/552354167.db2.gz MVLQWRRVQBACSS-KDDOJWQBSA-N 1 0 390.652 2.754 20 0 GFADRO Cc1ccc(S(=O)(=O)C[C@@H](C)[NH2+]C2CCN(CC(F)(F)F)CC2)cc1 ZINC000185291536 552360137 /nfs/dbraw/zinc/36/01/37/552360137.db2.gz ZUNQNCCCWRTAMZ-CQSZACIVSA-N 1 0 378.460 2.774 20 0 GFADRO C[C@@H](CNC(=O)N(C)CC[N@H+](C)C1CC1)Oc1ccccc1Br ZINC000185508515 552364680 /nfs/dbraw/zinc/36/46/80/552364680.db2.gz BZRVMBKPTZJKNW-ZDUSSCGKSA-N 1 0 384.318 2.952 20 0 GFADRO CN(CCC[NH+](C)C)C(=O)NCCOc1ncc(C(F)(F)F)cc1Cl ZINC000186292187 552383895 /nfs/dbraw/zinc/38/38/95/552383895.db2.gz AMSNKHUGOVKQQS-UHFFFAOYSA-N 1 0 382.814 2.726 20 0 GFADRO O=C(NCC1=CC[NH2+]CC1)[C@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl ZINC000186350256 552385775 /nfs/dbraw/zinc/38/57/75/552385775.db2.gz JWSSQWQAPHPOLF-MRXNPFEDSA-N 1 0 382.291 2.634 20 0 GFADRO CN(CC[N@H+](C)C1CC1)C(=O)c1ccc(F)c(I)c1 ZINC000186768029 552397314 /nfs/dbraw/zinc/39/73/14/552397314.db2.gz FOMFWMLACWOWEX-UHFFFAOYSA-N 1 0 376.213 2.597 20 0 GFADRO COc1ccc(C(=O)NCC[NH2+]Cc2cccc(Br)c2OC)cc1 ZINC000187152989 552407922 /nfs/dbraw/zinc/40/79/22/552407922.db2.gz NSDWZWYJKCSOIO-UHFFFAOYSA-N 1 0 393.281 2.986 20 0 GFADRO Cc1cc(Br)c(F)cc1NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000187199908 552408736 /nfs/dbraw/zinc/40/87/36/552408736.db2.gz CMRAJFOIOCRTNI-NEPJUHHUSA-N 1 0 398.276 2.530 20 0 GFADRO CCOCCC[N@@H+]1CC[C@H](NS(=O)(=O)c2ccccc2SC)[C@H](C)C1 ZINC000187228865 552409899 /nfs/dbraw/zinc/40/98/99/552409899.db2.gz GBJDQJQMJKKNSL-CVEARBPZSA-N 1 0 386.583 2.824 20 0 GFADRO CCS(=O)(=O)c1c(Cl)cccc1C[NH2+][C@H]1CCN(c2ccccn2)C1 ZINC000187336613 552412930 /nfs/dbraw/zinc/41/29/30/552412930.db2.gz SWIZODQQZMLUCY-HNNXBMFYSA-N 1 0 379.913 2.897 20 0 GFADRO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]C[C@H](O)c2ccc(F)cc2Cl)c1 ZINC000187426293 552415629 /nfs/dbraw/zinc/41/56/29/552415629.db2.gz VYEDCLWOQYLFFI-DIFFPNOSSA-N 1 0 386.876 2.771 20 0 GFADRO Cc1cc(Br)cc(NC(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)c1 ZINC000187503222 552417284 /nfs/dbraw/zinc/41/72/84/552417284.db2.gz YUFWUOVWSWHVDZ-CQSZACIVSA-N 1 0 383.334 2.763 20 0 GFADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)NCc1cc(Br)ccc1C ZINC000187552263 552419000 /nfs/dbraw/zinc/41/90/00/552419000.db2.gz BUXGFSJDXLMCHI-INIZCTEOSA-N 1 0 384.318 2.668 20 0 GFADRO O=C(NCC1(c2cccc(Br)c2)CCCCC1)[C@H]1C[NH2+]CCO1 ZINC000187942490 552428977 /nfs/dbraw/zinc/42/89/77/552428977.db2.gz RUNGQEZPHSCHFA-MRXNPFEDSA-N 1 0 381.314 2.756 20 0 GFADRO CSC[C@@H](O)C[NH+]1CCN(Cc2csc(-c3ccc(F)cc3)n2)CC1 ZINC000188068232 552433774 /nfs/dbraw/zinc/43/37/74/552433774.db2.gz YZTSLGVSAZTMEX-KRWDZBQOSA-N 1 0 381.542 2.791 20 0 GFADRO O=C1CNC(=O)N1CC[NH2+][C@@H](CC1CC1)c1cc(F)cc(Br)c1 ZINC000188187371 552438455 /nfs/dbraw/zinc/43/84/55/552438455.db2.gz KCNGSDDSNJZLNZ-AWEZNQCLSA-N 1 0 384.249 2.571 20 0 GFADRO COC(=O)CCNC(=O)C[NH+]1CCC(c2ccc(Br)c(C)c2)CC1 ZINC000188196165 552438512 /nfs/dbraw/zinc/43/85/12/552438512.db2.gz PCYWOOUBEKZOOE-UHFFFAOYSA-N 1 0 397.313 2.616 20 0 GFADRO CC(C)[C@@H]([NH2+][C@H](C)Cc1ccc(Br)cc1)C(=O)N1CCOCC1 ZINC000188238907 552440275 /nfs/dbraw/zinc/44/02/75/552440275.db2.gz SVTKJPAZBLCUSX-RHSMWYFYSA-N 1 0 383.330 2.853 20 0 GFADRO COc1nc(C)c(Br)cc1C(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000188352066 552443317 /nfs/dbraw/zinc/44/33/17/552443317.db2.gz ZKTUBSLAFOLHHC-UHFFFAOYSA-N 1 0 384.318 2.965 20 0 GFADRO O=C(Nc1ccc(CCn2cc(Br)cn2)cc1)[C@H]1C[C@H](F)C[NH2+]1 ZINC000188613481 552450103 /nfs/dbraw/zinc/45/01/03/552450103.db2.gz COQOODUFYOKXPO-DZGCQCFKSA-N 1 0 381.249 2.527 20 0 GFADRO C[C@@H](Oc1cccc(Br)c1)C(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000188616197 552450198 /nfs/dbraw/zinc/45/01/98/552450198.db2.gz CCVDVAYQOVQSFC-ZIAGYGMSSA-N 1 0 399.329 2.520 20 0 GFADRO O=S(=O)(NC1CC[NH+](CCOc2ccc(Cl)cc2)CC1)c1ccco1 ZINC000188716132 552453463 /nfs/dbraw/zinc/45/34/63/552453463.db2.gz UFROIIVBCCDNJR-UHFFFAOYSA-N 1 0 384.885 2.755 20 0 GFADRO O=C(c1ccn(-c2cccc(Br)c2)n1)N1CC[NH+]2CCC1CC2 ZINC000188861685 552456857 /nfs/dbraw/zinc/45/68/57/552456857.db2.gz YTYMPAPYLFWLEL-UHFFFAOYSA-N 1 0 375.270 2.555 20 0 GFADRO CC[N@H+](CCO)CCNC(=O)C1(c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000189164943 552465248 /nfs/dbraw/zinc/46/52/48/552465248.db2.gz XMCOHVHMKGMAQZ-UHFFFAOYSA-N 1 0 378.822 2.821 20 0 GFADRO CCS(=O)(=O)NCCC[NH+]1CCC(c2ccccc2Br)CC1 ZINC000189804429 552480357 /nfs/dbraw/zinc/48/03/57/552480357.db2.gz YNPGBGWJMHCEIE-UHFFFAOYSA-N 1 0 389.359 2.958 20 0 GFADRO CCN(CCC[NH+](C)C)C(=O)C(=O)Nc1ccc(Cl)c(Br)c1 ZINC000189828979 552480816 /nfs/dbraw/zinc/48/08/16/552480816.db2.gz ATRGCNUGSRLZIO-UHFFFAOYSA-N 1 0 390.709 2.841 20 0 GFADRO COCCC[N@H+](CCO)Cc1ccnc(-c2ccc(Br)cc2)n1 ZINC000189901856 552482221 /nfs/dbraw/zinc/48/22/21/552482221.db2.gz YROZASVWHAUATA-UHFFFAOYSA-N 1 0 380.286 2.737 20 0 GFADRO Cc1csc([C@@H]2COCCN2C(=O)NC[C@@H](c2cccs2)[NH+](C)C)n1 ZINC000189947818 552483488 /nfs/dbraw/zinc/48/34/88/552483488.db2.gz LFXZSCLUETYNBZ-KBPBESRZSA-N 1 0 380.539 2.899 20 0 GFADRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)Nc1nnc(-c2ccsc2)s1 ZINC000190146097 552488899 /nfs/dbraw/zinc/48/88/99/552488899.db2.gz GOBSGMFLBSQUDL-NSHDSACASA-N 1 0 381.527 2.576 20 0 GFADRO C[C@H]1CN(C(=O)Nc2cc(Br)ccc2F)CC[N@@H+]1CC(C)(C)O ZINC000190189769 552489871 /nfs/dbraw/zinc/48/98/71/552489871.db2.gz UBDNXSJKJHLYRV-NSHDSACASA-N 1 0 388.281 2.897 20 0 GFADRO Cn1cc([C@H]2CSCCN2C(=O)NC[C@H](c2cccs2)[NH+](C)C)cn1 ZINC000190425515 552495946 /nfs/dbraw/zinc/49/59/46/552495946.db2.gz QIQDEGZDQHZTDK-HUUCEWRRSA-N 1 0 379.555 2.584 20 0 GFADRO COc1cc(Br)ccc1[C@@H](C)[NH2+]C[C@H](O)COC1CCOCC1 ZINC000190458423 552497050 /nfs/dbraw/zinc/49/70/50/552497050.db2.gz VOCYONYCWBLLRM-OCCSQVGLSA-N 1 0 388.302 2.665 20 0 GFADRO COc1cc(Br)ccc1[C@H](C)[NH2+]C[C@H](O)COC1CCOCC1 ZINC000190458405 552497140 /nfs/dbraw/zinc/49/71/40/552497140.db2.gz VOCYONYCWBLLRM-JSGCOSHPSA-N 1 0 388.302 2.665 20 0 GFADRO CC[N@H+](CCNC(=O)C(=O)Nc1cc(C)c(Br)c(C)c1)C1CC1 ZINC000190496049 552498655 /nfs/dbraw/zinc/49/86/55/552498655.db2.gz ABWJMZHPKLOPQW-UHFFFAOYSA-N 1 0 382.302 2.605 20 0 GFADRO CCS(=O)(=O)N1CC(C[NH2+][C@H](c2ccc(Br)cc2)C2CC2)C1 ZINC000190677203 552505892 /nfs/dbraw/zinc/50/58/92/552505892.db2.gz DUKOGKIPORHJBT-INIZCTEOSA-N 1 0 387.343 2.771 20 0 GFADRO CC[N@H+](C)C[C@H]1CCN(C(=O)Cc2ccc(I)cc2)C1 ZINC000190956487 552514397 /nfs/dbraw/zinc/51/43/97/552514397.db2.gz ZRKVMHKQUGWUFX-CQSZACIVSA-N 1 0 386.277 2.634 20 0 GFADRO Cn1ccnc1[C@](O)(CC[NH2+]Cc1ccc(Br)o1)C(F)(F)F ZINC000191112909 552519366 /nfs/dbraw/zinc/51/93/66/552519366.db2.gz DHJRQYXQXGZAMC-GFCCVEGCSA-N 1 0 382.180 2.705 20 0 GFADRO NC(=O)C[C@H]([NH2+]Cc1cc(Br)c(Cl)s1)C1CCOCC1 ZINC000191522910 552530834 /nfs/dbraw/zinc/53/08/34/552530834.db2.gz MZCJCJBWZJRQQI-NSHDSACASA-N 1 0 381.723 2.924 20 0 GFADRO Brc1ccc(CN2CC[C@@H]([NH+]3CCCC3)C2)c(N2CCOCC2)c1 ZINC000191636092 552533987 /nfs/dbraw/zinc/53/39/87/552533987.db2.gz CHMYISCYMQYUON-GOSISDBHSA-N 1 0 394.357 2.956 20 0 GFADRO CCn1nccc1N1CCC[C@H]([NH2+]Cc2cccc(Br)c2)C1=O ZINC000191636628 552534140 /nfs/dbraw/zinc/53/41/40/552534140.db2.gz IJQCZKRULVOSPK-HNNXBMFYSA-N 1 0 377.286 2.951 20 0 GFADRO CN(C)S(=O)(=O)c1cc(NC(=O)C[NH2+][C@@H]2CCCC2(C)C)ccc1Cl ZINC000191852607 552540139 /nfs/dbraw/zinc/54/01/39/552540139.db2.gz DSKLZHWHTGAFNG-OAHLLOKOSA-N 1 0 387.933 2.697 20 0 GFADRO CO[C@@H]1C[NH2+][C@@H](C(=O)Nc2ncc(Cc3cccc(Br)c3)s2)C1 ZINC000191907639 552542085 /nfs/dbraw/zinc/54/20/85/552542085.db2.gz RWMPMAOMPYQJAX-GXTWGEPZSA-N 1 0 396.310 2.812 20 0 GFADRO Cc1c(Br)cccc1CC(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000191925543 552542847 /nfs/dbraw/zinc/54/28/47/552542847.db2.gz YVDUXUALRVSQQJ-UHFFFAOYSA-N 1 0 395.341 2.871 20 0 GFADRO CS(=O)(=O)NCC[C@H]1CCCC[N@@H+]1CCOc1ccc(Cl)c(F)c1 ZINC000191951140 552543624 /nfs/dbraw/zinc/54/36/24/552543624.db2.gz BCVJBBDENCEZJK-CYBMUJFWSA-N 1 0 378.897 2.652 20 0 GFADRO CC1CC[NH+](C[C@@H]2CCCN(C(=O)c3cc(Br)nn3C)C2)CC1 ZINC000192001544 552545631 /nfs/dbraw/zinc/54/56/31/552545631.db2.gz QYYAJEHFFSUZEM-AWEZNQCLSA-N 1 0 383.334 2.767 20 0 GFADRO Cn1nc(Br)cc1C(=O)Nc1ccccc1NC1CC[NH+](C)CC1 ZINC000192024496 552546316 /nfs/dbraw/zinc/54/63/16/552546316.db2.gz FPXYMNLUPYAQLF-UHFFFAOYSA-N 1 0 392.301 2.941 20 0 GFADRO CC[C@@H](CO)[NH+]1CCN([C@@H](C(=O)OC)c2ccc(Cl)c(Cl)c2)CC1 ZINC000192046191 552547287 /nfs/dbraw/zinc/54/72/87/552547287.db2.gz GHORKEQPRAEGQH-XJKSGUPXSA-N 1 0 375.296 2.596 20 0 GFADRO C[C@H]1C[C@@H](NC(=O)c2cc(Br)nn2C)C[N@@H+]1Cc1ccccc1 ZINC000192161723 552554104 /nfs/dbraw/zinc/55/41/04/552554104.db2.gz JYCHUQWEWNXRGH-GXTWGEPZSA-N 1 0 377.286 2.575 20 0 GFADRO COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000192194513 552555380 /nfs/dbraw/zinc/55/53/80/552555380.db2.gz XVDHAWXHOKKKJS-MNOVXSKESA-N 1 0 388.295 2.882 20 0 GFADRO CC(C)[C@H](CNC(=O)Nc1cc(Cl)c(N)c(Cl)c1)[NH+]1CCN(C)CC1 ZINC000192301529 552558801 /nfs/dbraw/zinc/55/88/01/552558801.db2.gz VOXUNPCETPEHIE-HNNXBMFYSA-N 1 0 388.343 2.969 20 0 GFADRO C[C@H]([NH3+])C1CCN(S(=O)(=O)c2ccc(Cl)c(Br)c2)CC1 ZINC000192389603 552561211 /nfs/dbraw/zinc/56/12/11/552561211.db2.gz DTPARVXQYFOAOK-VIFPVBQESA-N 1 0 381.723 2.850 20 0 GFADRO Cc1c(C(=O)N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)cnn1-c1ccc(Br)cc1 ZINC000192488730 552565316 /nfs/dbraw/zinc/56/53/16/552565316.db2.gz RFIGEJGRRJFVEV-OKILXGFUSA-N 1 0 389.297 2.577 20 0 GFADRO C[NH+](C)CCN(Cc1ccccn1)S(=O)(=O)Cc1ccc(Cl)c(F)c1 ZINC000192617813 552567632 /nfs/dbraw/zinc/56/76/32/552567632.db2.gz HYOOUWANCVCWLP-UHFFFAOYSA-N 1 0 385.892 2.768 20 0 GFADRO O=S(=O)(NC[C@@H]1CCC[NH2+]C1)c1ccc2cc(Br)ccc2c1 ZINC000193243838 552987201 /nfs/dbraw/zinc/98/72/01/552987201.db2.gz XPYNFHKCWGSSQG-GFCCVEGCSA-N 1 0 383.311 2.880 20 0 GFADRO O=S(=O)(NC[C@H]1CCC[NH2+]C1)c1cc(Cl)c(Br)cc1F ZINC000193243819 552987477 /nfs/dbraw/zinc/98/74/77/552987477.db2.gz OIUMMDPXWFLUIH-QMMMGPOBSA-N 1 0 385.686 2.520 20 0 GFADRO CCCN([C@H]1CC[NH2+]C1)S(=O)(=O)c1cc(Br)c(F)cc1C ZINC000193264206 552988074 /nfs/dbraw/zinc/98/80/74/552988074.db2.gz KZXHXABKARWJRA-NSHDSACASA-N 1 0 379.295 2.659 20 0 GFADRO Cc1csc([C@H]2CN(C(=O)NC[C@H](c3cccs3)[NH+](C)C)CCO2)n1 ZINC000193275819 552988270 /nfs/dbraw/zinc/98/82/70/552988270.db2.gz GKAYZHVJIUHXFC-ZIAGYGMSSA-N 1 0 380.539 2.899 20 0 GFADRO COCC[NH2+]CCNS(=O)(=O)c1ccc(Oc2ccccc2Cl)cc1 ZINC000193361623 552991092 /nfs/dbraw/zinc/99/10/92/552991092.db2.gz CCKPRTRITJNZJP-UHFFFAOYSA-N 1 0 384.885 2.647 20 0 GFADRO O=S(=O)(c1cccc(Cl)c1)N1CCN(CCC[NH+]2CCCCC2)CC1 ZINC000193464329 552994149 /nfs/dbraw/zinc/99/41/49/552994149.db2.gz SZXAKMCCWMYJID-UHFFFAOYSA-N 1 0 385.961 2.522 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2Cc3cc(Br)ccc3O2)[C@H](C)C1 ZINC000193567830 552997259 /nfs/dbraw/zinc/99/72/59/552997259.db2.gz DGYZAFZKFPCYJU-PVUWLOKVSA-N 1 0 381.314 2.941 20 0 GFADRO C[C@@H](Sc1ccccc1Cl)C(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000193698884 553000532 /nfs/dbraw/zinc/00/05/32/553000532.db2.gz DHVXMBYVBUEIDI-KGLIPLIRSA-N 1 0 383.945 2.667 20 0 GFADRO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)c1ncccc1Br ZINC000193746770 553002204 /nfs/dbraw/zinc/00/22/04/553002204.db2.gz JCPMOMXYSSDJAI-UHFFFAOYSA-N 1 0 375.270 2.886 20 0 GFADRO C[C@H]([NH2+]CC1CCN(S(C)(=O)=O)CC1)c1cc(Br)cs1 ZINC000194011761 553009714 /nfs/dbraw/zinc/00/97/14/553009714.db2.gz OLRSGDLRLXTXJZ-JTQLQIEISA-N 1 0 381.361 2.833 20 0 GFADRO CN(C(=O)[C@H]1CCN(c2cc(Cl)ccc2Cl)C1=O)C1CC[NH+](C)CC1 ZINC000194428998 553020429 /nfs/dbraw/zinc/02/04/29/553020429.db2.gz ACGDOALSJKQFFL-CQSZACIVSA-N 1 0 384.307 2.899 20 0 GFADRO O=C(NC1CC[NH+](CCOc2ccc(Br)cc2)CC1)C(F)F ZINC000194672879 553027004 /nfs/dbraw/zinc/02/70/04/553027004.db2.gz YJFOOCCETYNXSB-UHFFFAOYSA-N 1 0 377.229 2.674 20 0 GFADRO C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1 ZINC000194704292 553027610 /nfs/dbraw/zinc/02/76/10/553027610.db2.gz VVXTVGJPZQGWKF-BBRMVZONSA-N 1 0 384.307 2.808 20 0 GFADRO [NH3+]C[C@H](NS(=O)(=O)c1cc(Br)ccc1Cl)C1CCCC1 ZINC000194776310 553029422 /nfs/dbraw/zinc/02/94/22/553029422.db2.gz ZJRVGZUCKSEHQU-LBPRGKRZSA-N 1 0 381.723 2.898 20 0 GFADRO CC(C)(CNC(=O)N1CCc2c(Br)cccc2C1)N1CCOCC1 ZINC000195262958 553043274 /nfs/dbraw/zinc/04/32/74/553043274.db2.gz IJTHRBDSFVCUOJ-UHFFFAOYSA-N 1 0 396.329 2.628 20 0 GFADRO CC[NH+](CC)CCNC(=O)N1CCO[C@H](c2cccc(Br)c2)C1 ZINC000195475751 553050322 /nfs/dbraw/zinc/05/03/22/553050322.db2.gz CEXQMJIWOIEFLN-INIZCTEOSA-N 1 0 384.318 2.874 20 0 GFADRO O=C(CNC(=O)c1ccc(Cl)c(Cl)c1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000200842168 553052239 /nfs/dbraw/zinc/05/22/39/553052239.db2.gz JDZJRXLJFKJRIU-AWEZNQCLSA-N 1 0 384.307 2.810 20 0 GFADRO C[C@H]1C[C@H](NC(=O)c2cc(Cl)ccc2I)CC[NH2+]1 ZINC000219250940 553054476 /nfs/dbraw/zinc/05/44/76/553054476.db2.gz TWIVHBVBJLUHQG-WCBMZHEXSA-N 1 0 378.641 2.815 20 0 GFADRO COC[C@H](CCO)[NH2+]Cc1cc(Br)c(OC)c(Br)c1 ZINC000219145742 553054643 /nfs/dbraw/zinc/05/46/43/553054643.db2.gz KINARSPRPBDNLK-JTQLQIEISA-N 1 0 397.107 2.707 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1csc(I)c1 ZINC000224041216 553057820 /nfs/dbraw/zinc/05/78/20/553057820.db2.gz VXQXGEYDICVEQQ-MNOVXSKESA-N 1 0 376.263 2.709 20 0 GFADRO COc1c(Br)cc(Br)cc1C[NH2+]C[C@@H](O)C(F)F ZINC000226576029 553062200 /nfs/dbraw/zinc/06/22/00/553062200.db2.gz QLAIPCGDWJIGGU-SECBINFHSA-N 1 0 389.034 2.936 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)c2ccc(F)cc2I)CC[N@@H+]1C ZINC000227525799 553062755 /nfs/dbraw/zinc/06/27/55/553062755.db2.gz RALQHIYRXYDYQS-KOLCDFICSA-N 1 0 376.213 2.643 20 0 GFADRO Cc1cc(I)ccc1NC(=O)C[N@H+](C)CCCCCO ZINC000227116745 553062764 /nfs/dbraw/zinc/06/27/64/553062764.db2.gz LIBSEXQZPZPFNL-UHFFFAOYSA-N 1 0 390.265 2.633 20 0 GFADRO O=S1(=O)CC[C@H]([NH2+]Cc2ccc(OC(F)(F)F)c(Br)c2)C1 ZINC000229684708 553064487 /nfs/dbraw/zinc/06/44/87/553064487.db2.gz YQZZSEKQSDOZBK-VIFPVBQESA-N 1 0 388.205 2.624 20 0 GFADRO O=C(NCC[C@@H]1CCC[NH2+]C1)c1ccn(-c2cccc(Br)c2)n1 ZINC000236583424 553069462 /nfs/dbraw/zinc/06/94/62/553069462.db2.gz PJFZARNZVSPHSG-ZDUSSCGKSA-N 1 0 377.286 2.754 20 0 GFADRO O=C(NCc1cn2cc(Br)ccc2n1)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000236639086 553070402 /nfs/dbraw/zinc/07/04/02/553070402.db2.gz CRSMBRMENJXGIS-UGFHNGPFSA-N 1 0 377.286 2.634 20 0 GFADRO O=C(NCCN1CC[NH2+]CC1)C1(c2cccc(Br)c2)CCCCC1 ZINC000236774210 553071095 /nfs/dbraw/zinc/07/10/95/553071095.db2.gz NCEQEQPEFUKNKE-UHFFFAOYSA-N 1 0 394.357 2.672 20 0 GFADRO CC(C)[C@H]([NH3+])CCN(C)C(=O)Cc1csc(NC(=O)c2cccs2)n1 ZINC000236833068 553072228 /nfs/dbraw/zinc/07/22/28/553072228.db2.gz PIHZVKYMNYKMSA-CYBMUJFWSA-N 1 0 380.539 2.831 20 0 GFADRO C[NH2+]C1CCN(C(=O)[C@@H](CCOC)Cc2cccc(Br)c2)CC1 ZINC000237079293 553074211 /nfs/dbraw/zinc/07/42/11/553074211.db2.gz OAUSGPXJIAMICW-HNNXBMFYSA-N 1 0 383.330 2.855 20 0 GFADRO CCc1c(C(=O)N[C@H]2CCC[NH2+]C2)cnn1-c1ccc(Br)cc1 ZINC000237110585 553074976 /nfs/dbraw/zinc/07/49/76/553074976.db2.gz GWVVNKBTBDGCQA-ZDUSSCGKSA-N 1 0 377.286 2.679 20 0 GFADRO C[NH2+]C[C@H]1CCCN(C(=O)c2cc(F)c(F)cc2I)C1 ZINC000237310356 553076400 /nfs/dbraw/zinc/07/64/00/553076400.db2.gz BWQIWBFLHMVTAF-SECBINFHSA-N 1 0 394.203 2.641 20 0 GFADRO C[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000237318123 553076495 /nfs/dbraw/zinc/07/64/95/553076495.db2.gz JDVLDTHBOOIOEX-OCCSQVGLSA-N 1 0 386.323 2.817 20 0 GFADRO CS(=O)(=O)CCNCc1csc(-c2cccc(Br)c2)n1 ZINC000237310020 553076545 /nfs/dbraw/zinc/07/65/45/553076545.db2.gz DFOBLOFANCFELM-UHFFFAOYSA-N 1 0 375.313 2.707 20 0 GFADRO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CC(=O)NCc1ccco1 ZINC000237421537 553077658 /nfs/dbraw/zinc/07/76/58/553077658.db2.gz RWLMLULWIQLOMK-GFCCVEGCSA-N 1 0 394.269 2.665 20 0 GFADRO C[C@@H](CC(=O)NCc1cn2cc(Br)ccc2n1)C1CC[NH2+]CC1 ZINC000237495372 553078122 /nfs/dbraw/zinc/07/81/22/553078122.db2.gz LDWSKDLFASSKFP-LBPRGKRZSA-N 1 0 379.302 2.739 20 0 GFADRO C[C@H](NC(=O)[C@]1(C)CCCC[NH2+]1)c1cc2c(cc1Br)OCCO2 ZINC000237558560 553079404 /nfs/dbraw/zinc/07/94/04/553079404.db2.gz YXEXNRGMTTWXKN-GTNSWQLSSA-N 1 0 383.286 2.930 20 0 GFADRO C[C@]1(C(=O)NC[C@@H]2CCN(c3ccc(Br)cc3)C2)CCCC[NH2+]1 ZINC000237563260 553079622 /nfs/dbraw/zinc/07/96/22/553079622.db2.gz WGNWFCZHTLSCDA-KBXCAEBGSA-N 1 0 380.330 2.924 20 0 GFADRO Cc1ncccc1C[NH2+]C[C@@H](O)COc1ccc(I)cc1 ZINC000237601953 553079860 /nfs/dbraw/zinc/07/98/60/553079860.db2.gz QDNTXFDJKXRFFJ-OAHLLOKOSA-N 1 0 398.244 2.524 20 0 GFADRO C[C@@H]1Cc2cc(S(=O)(=O)N3CCC([NH2+]CC4CC4)CC3)cc(Cl)c2O1 ZINC000237605188 553079904 /nfs/dbraw/zinc/07/99/04/553079904.db2.gz KNLNNMFEUCZOTE-GFCCVEGCSA-N 1 0 384.929 2.816 20 0 GFADRO Cc1nc(-c2cccc(Cl)c2)sc1C(=O)NCCCN1CC[NH2+]CC1 ZINC000237696610 553080626 /nfs/dbraw/zinc/08/06/26/553080626.db2.gz HENSZMYRVMOOBW-UHFFFAOYSA-N 1 0 378.929 2.797 20 0 GFADRO Cc1cccc(S(=O)(=O)NCCC[NH2+]Cc2cccnc2)c1Br ZINC000237722394 553081041 /nfs/dbraw/zinc/08/10/41/553081041.db2.gz OSGUDQWSSRYIQB-UHFFFAOYSA-N 1 0 398.326 2.611 20 0 GFADRO O=C(Nc1c(Cl)cc(NC(=O)[C@H]2CCC[NH2+]2)cc1Cl)c1cnccn1 ZINC000237711389 553081062 /nfs/dbraw/zinc/08/10/62/553081062.db2.gz CUYORIFVJIEQGD-GFCCVEGCSA-N 1 0 380.235 2.726 20 0 GFADRO C[C@H]1CN(C(=O)Cc2csc(-c3cccc(Br)c3)n2)CC[NH2+]1 ZINC000237749446 553081081 /nfs/dbraw/zinc/08/10/81/553081081.db2.gz AZWOZIOCVPODNQ-NSHDSACASA-N 1 0 380.311 2.935 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H](C(=O)NC[C@@H]2CCN(c3ccc(Br)cc3)C2)C1 ZINC000237870353 553083315 /nfs/dbraw/zinc/08/33/15/553083315.db2.gz VHKJCNSEPPHAOF-SQWLQELKSA-N 1 0 380.330 2.909 20 0 GFADRO [NH3+]C1(C(=O)N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)CCCC1 ZINC000237899967 553083910 /nfs/dbraw/zinc/08/39/10/553083910.db2.gz GKNUCDLRFISHTO-UHFFFAOYSA-N 1 0 376.810 2.674 20 0 GFADRO [NH3+]Cc1ccc(C(=O)N2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)o1 ZINC000237949104 553084124 /nfs/dbraw/zinc/08/41/24/553084124.db2.gz XSHKNGDUBXSMIW-UHFFFAOYSA-N 1 0 382.247 2.643 20 0 GFADRO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)c1cc(=O)[nH]c2ccc(Br)cc21 ZINC000237923562 553084172 /nfs/dbraw/zinc/08/41/72/553084172.db2.gz OQGYKXQKAXLPAD-IINYFYTJSA-N 1 0 378.270 2.950 20 0 GFADRO O=C(CSc1cccs1)Nc1ccc(C(=O)N[C@@H]2CCC[NH2+]C2)cc1 ZINC000238033910 553085159 /nfs/dbraw/zinc/08/51/59/553085159.db2.gz AUAAGQJVSZQYQW-OAHLLOKOSA-N 1 0 375.519 2.961 20 0 GFADRO O=C(Nc1ccc(OCc2ccccc2)c(Br)c1)[C@H]1C[C@H](O)C[NH2+]1 ZINC000238097368 553086128 /nfs/dbraw/zinc/08/61/28/553086128.db2.gz KJVBOWBWCCONFE-GOEBONIOSA-N 1 0 391.265 2.689 20 0 GFADRO C[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000245388286 553089519 /nfs/dbraw/zinc/08/95/19/553089519.db2.gz CFYKVJVJEOAYSH-RHSMWYFYSA-N 1 0 395.345 2.669 20 0 GFADRO O=S1(=O)CC[C@H](N(Cc2ccc(Br)s2)C[C@@H]2CCCO2)C1 ZINC000245795239 553097141 /nfs/dbraw/zinc/09/71/41/553097141.db2.gz FOWCJJPBUOSKPO-RYUDHWBXSA-N 1 0 394.356 2.679 20 0 GFADRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2ccncc2Br)[C@@H](C)C1 ZINC000245952426 553099861 /nfs/dbraw/zinc/09/98/61/553099861.db2.gz BGKJJPGIOFLEBY-XJKSGUPXSA-N 1 0 384.318 2.711 20 0 GFADRO CCC[C@@H]1CN(C[C@@H](O)c2ccccc2Br)CC[N@@H+]1CCOC ZINC000245975912 553100138 /nfs/dbraw/zinc/10/01/38/553100138.db2.gz XDZKTGNEDQUTDT-CRAIPNDOSA-N 1 0 385.346 2.915 20 0 GFADRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)NCCOc1ncc(Cl)cc1Cl ZINC000246226865 553104277 /nfs/dbraw/zinc/10/42/77/553104277.db2.gz IXYHFVHZJYNWCG-BXUZGUMPSA-N 1 0 375.300 2.749 20 0 GFADRO CCN(C[C@H](O)COc1c(Cl)cccc1Cl)[C@H](C)CS(=O)(=O)CC ZINC000246628777 553110742 /nfs/dbraw/zinc/11/07/42/553110742.db2.gz CMRDYBAEALWQMF-OLZOCXBDSA-N 1 0 398.352 2.878 20 0 GFADRO C[N@@H+]1CCC[C@H]2CN(S(=O)(=O)c3ccc(F)c(C(F)(F)F)c3)CC[C@H]21 ZINC000246867255 553114148 /nfs/dbraw/zinc/11/41/48/553114148.db2.gz DFBPLFDXZMCZPB-XHDPSFHLSA-N 1 0 380.407 2.949 20 0 GFADRO CC[S@](=O)[C@@H]1CCC[C@H]([NH2+][C@H](C)c2ccc(S(C)(=O)=O)c(OC)c2)C1 ZINC000246868333 553114184 /nfs/dbraw/zinc/11/41/84/553114184.db2.gz CUNPGZUGKJIKSJ-PXTJIMPNSA-N 1 0 387.567 2.829 20 0 GFADRO C[C@H](CO[C@H]1CCOC1)[NH2+][C@@H](C)CC(=O)Nc1ccc(Br)cc1 ZINC000246837521 553114264 /nfs/dbraw/zinc/11/42/64/553114264.db2.gz BJRHBEZPURHECO-ZENOOKHLSA-N 1 0 385.302 2.950 20 0 GFADRO CC[C@H]1CN(C(=O)c2cc3c(cccc3Br)[nH]2)CC[N@@H+]1C[C@H](C)O ZINC000247073260 553117808 /nfs/dbraw/zinc/11/78/08/553117808.db2.gz ZXBVXIFFFRHJIM-STQMWFEESA-N 1 0 394.313 2.848 20 0 GFADRO CCOCCC[N@@H+]1CC[C@@H](NS(=O)(=O)c2ccc(Cl)cc2F)[C@@H](C)C1 ZINC000247050201 553118193 /nfs/dbraw/zinc/11/81/93/553118193.db2.gz AUQXHYPRMMKSPV-XJKSGUPXSA-N 1 0 392.924 2.894 20 0 GFADRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)S(=O)(=O)c1ccc(Br)cc1F ZINC000248503369 553130538 /nfs/dbraw/zinc/13/05/38/553130538.db2.gz UOLUANKAWHTOHG-ZWNOBZJWSA-N 1 0 379.295 2.549 20 0 GFADRO C[S@](=O)C[C@H]([NH2+]C[C@@H](O)COCc1ccc(Cl)cc1)c1ccccc1 ZINC000248554941 553130958 /nfs/dbraw/zinc/13/09/58/553130958.db2.gz HVRZJWBRILYEOY-WYEJZRMESA-N 1 0 381.925 2.927 20 0 GFADRO Cc1ccc(Cl)c(OC[C@H](O)CN2CCN(CC(F)(F)F)[C@@H](C)C2)c1 ZINC000248616909 553131858 /nfs/dbraw/zinc/13/18/58/553131858.db2.gz ZCIYGOHFAXIPIT-UONOGXRCSA-N 1 0 380.838 2.957 20 0 GFADRO O=C1[C@@H](N2CC[C@@H](C[NH+]3CCCC3)C2)CCN1c1cccc(Br)c1 ZINC000249254600 553140889 /nfs/dbraw/zinc/14/08/89/553140889.db2.gz HKFKYNMBMLPPSV-YJBOKZPZSA-N 1 0 392.341 2.972 20 0 GFADRO COc1cc(Br)ccc1[C@H](C)[NH2+]C[C@H](O)COC[C@H]1CCCO1 ZINC000249283498 553141573 /nfs/dbraw/zinc/14/15/73/553141573.db2.gz LFHBSHWBDYWSMR-AEGPPILISA-N 1 0 388.302 2.665 20 0 GFADRO C[C@H](C(=O)Nc1cccc(Br)c1)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000249411000 553142924 /nfs/dbraw/zinc/14/29/24/553142924.db2.gz VHGBNWNQDNMFES-ZIAGYGMSSA-N 1 0 398.345 2.553 20 0 GFADRO C[C@@H]1C[N@H+](CCCOc2cccc(I)c2)CC[C@H]1O ZINC000249578864 553144622 /nfs/dbraw/zinc/14/46/22/553144622.db2.gz QGIOWROZPYEQPG-IUODEOHRSA-N 1 0 375.250 2.763 20 0 GFADRO C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl ZINC000249736282 553145539 /nfs/dbraw/zinc/14/55/39/553145539.db2.gz FIGKGIAYFHHWPQ-CZUORRHYSA-N 1 0 384.307 2.808 20 0 GFADRO Cc1cc(NC(=O)CN(C)[C@H]2c3cc(Cl)cc(Cl)c3C[C@H]2O)n(C)n1 ZINC000249747896 553146259 /nfs/dbraw/zinc/14/62/59/553146259.db2.gz OJUUMXITMNFLBN-PBHICJAKSA-N 1 0 383.279 2.564 20 0 GFADRO C[C@H](CNC(=O)[C@H]1C[C@H]1c1ccc(Br)cc1)C[NH+]1CCN(C)CC1 ZINC000250279325 553147311 /nfs/dbraw/zinc/14/73/11/553147311.db2.gz AZIQPTUZBXGEKR-JLSDUUJJSA-N 1 0 394.357 2.552 20 0 GFADRO C[N@@H+]1CCC[C@@H]2CN(S(=O)(=O)c3ccc(CC(F)(F)F)cc3)CC[C@H]21 ZINC000253354027 553150970 /nfs/dbraw/zinc/15/09/70/553150970.db2.gz XUEIGDUQWJFROH-GDBMZVCRSA-N 1 0 376.444 2.896 20 0 GFADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)c1c[nH]c(=O)c(Br)c1 ZINC000253563834 553151626 /nfs/dbraw/zinc/15/16/26/553151626.db2.gz MSBDTPMDHJKYAH-MLGOLLRUSA-N 1 0 390.281 2.800 20 0 GFADRO O=C(NC[C@H]1CCCN(Cc2ccc(F)cc2Br)C1)[C@H]1CCC[NH2+]1 ZINC000261670834 553155993 /nfs/dbraw/zinc/15/59/93/553155993.db2.gz LSGBDBWNLFMBMR-CXAGYDPISA-N 1 0 398.320 2.668 20 0 GFADRO O=C(CCN1CC[NH2+]C[C@@H]1c1cccnc1)Nc1ccc(Br)cc1 ZINC000261689195 553156507 /nfs/dbraw/zinc/15/65/07/553156507.db2.gz IXTWQZCPDXTOMP-QGZVFWFLSA-N 1 0 389.297 2.819 20 0 GFADRO CCc1nc(C(=O)N2C[C@H](C[NH3+])C[C@H]2C)nn1-c1c(Cl)cccc1Cl ZINC000261704806 553156540 /nfs/dbraw/zinc/15/65/40/553156540.db2.gz JNUWAUVWUAIESR-MNOVXSKESA-N 1 0 382.295 2.946 20 0 GFADRO COc1ccc(CNC(=O)[C@](C)([NH3+])c2ccc(Br)cc2)c(OC)c1 ZINC000261737044 553157253 /nfs/dbraw/zinc/15/72/53/553157253.db2.gz LKAPZGJZJZNWPR-GOSISDBHSA-N 1 0 393.281 2.957 20 0 GFADRO O=C(CN1CC[C@H](N2CC[NH2+]CC2)C1)Nc1c(Cl)cc(Cl)cc1Cl ZINC000261746527 553158200 /nfs/dbraw/zinc/15/82/00/553158200.db2.gz UHHURULYMCMJHK-LBPRGKRZSA-N 1 0 391.730 2.565 20 0 GFADRO C[C@@]([NH3+])(C(=O)N[C@@H]1CCCc2[nH]c(=O)ccc21)c1ccc(Br)cc1 ZINC000261837301 553160429 /nfs/dbraw/zinc/16/04/29/553160429.db2.gz UPNKRXYGUJMETR-QAPCUYQASA-N 1 0 390.281 2.917 20 0 GFADRO CCN(CC)S(=O)(=O)c1cc(NC(=O)CC[C@@H]2CC[NH2+]C2)ccc1Cl ZINC000261889070 553162207 /nfs/dbraw/zinc/16/22/07/553162207.db2.gz WAEUGILWZLKZDD-CYBMUJFWSA-N 1 0 387.933 2.699 20 0 GFADRO [NH3+]CCC(=O)NC[C@H]1CCCCN1Cc1ccc(Br)c(Cl)c1 ZINC000261946437 553163233 /nfs/dbraw/zinc/16/32/33/553163233.db2.gz FJFQWHDWQYEXGG-CYBMUJFWSA-N 1 0 388.737 2.922 20 0 GFADRO CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H](c1ccc(Br)cc1)C1CCC1 ZINC000261980106 553163928 /nfs/dbraw/zinc/16/39/28/553163928.db2.gz BXRGDUJSGDZBJJ-DLBZAZTESA-N 1 0 396.329 2.506 20 0 GFADRO C[NH2+]CCC1CCN(C(=O)c2ccc(I)c(F)c2)CC1 ZINC000261980601 553163979 /nfs/dbraw/zinc/16/39/79/553163979.db2.gz CQTXJFFRURGHLE-UHFFFAOYSA-N 1 0 390.240 2.892 20 0 GFADRO CC1(C)CN(C(=O)C2CCN(C(=O)c3ccc(Cl)s3)CC2)CC[C@@H]1[NH3+] ZINC000261974302 553164035 /nfs/dbraw/zinc/16/40/35/553164035.db2.gz LSNVXPSGAMIIRE-AWEZNQCLSA-N 1 0 383.945 2.840 20 0 GFADRO [NH3+]C[C@H](NS(=O)(=O)c1cccc(Br)c1Cl)C1CCCC1 ZINC000261988423 553164053 /nfs/dbraw/zinc/16/40/53/553164053.db2.gz DNXZYHSUDKYSDY-NSHDSACASA-N 1 0 381.723 2.898 20 0 GFADRO C[NH2+]CCC1CCN(C(=O)c2cc(OC)c(Br)c(OC)c2)CC1 ZINC000262004668 553164207 /nfs/dbraw/zinc/16/42/07/553164207.db2.gz GOTACRHDQXMQGL-UHFFFAOYSA-N 1 0 385.302 2.928 20 0 GFADRO CC(=O)NCc1ccc(-c2nc(NC(=O)[C@@H](C)C3C[NH2+]C3)sc2C)s1 ZINC000262018983 553164496 /nfs/dbraw/zinc/16/44/96/553164496.db2.gz CRZMHHXABWLJCI-VIFPVBQESA-N 1 0 378.523 2.610 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H]2CN(S(=O)(=O)c3cccc(Br)c3Cl)C[C@H]21 ZINC000262055991 553165438 /nfs/dbraw/zinc/16/54/38/553165438.db2.gz NGMSKOZTPQVVHB-CKYFFXLPSA-N 1 0 393.734 2.850 20 0 GFADRO C[C@@]1(C[NH3+])CCN(C(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)C1 ZINC000262113262 553165859 /nfs/dbraw/zinc/16/58/59/553165859.db2.gz VUPLKYXQCPJELY-YJBOKZPZSA-N 1 0 384.307 2.795 20 0 GFADRO C[C@]1(CNS(=O)(=O)c2cccc(Br)c2Cl)CCC[NH2+]C1 ZINC000262326078 553169313 /nfs/dbraw/zinc/16/93/13/553169313.db2.gz QZYVWSDOBODCJC-ZDUSSCGKSA-N 1 0 381.723 2.771 20 0 GFADRO O=S(=O)(Cc1ccc(Br)cc1)NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000262328145 553169375 /nfs/dbraw/zinc/16/93/75/553169375.db2.gz RHKWJBQBSJHQCA-KRWDZBQOSA-N 1 0 395.322 2.756 20 0 GFADRO C[C@@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2csc(CC[NH3+])n2)CC1 ZINC000262356379 553169711 /nfs/dbraw/zinc/16/97/11/553169711.db2.gz JMLUAUPJQRJTNU-ZDUSSCGKSA-N 1 0 378.929 2.817 20 0 GFADRO CC(C)c1n[nH]c(C(=O)NC[C@@H]2[NH2+]CCc3ccccc32)c1Br ZINC000262388532 553169736 /nfs/dbraw/zinc/16/97/36/553169736.db2.gz NXTABAOBMXXTLG-ZDUSSCGKSA-N 1 0 377.286 2.912 20 0 GFADRO O=C(COc1ccc(Br)cc1F)NC[C@H]1[NH2+]CCc2ccccc21 ZINC000262393654 553170314 /nfs/dbraw/zinc/17/03/14/553170314.db2.gz OLJCPBSFIHMVRD-MRXNPFEDSA-N 1 0 393.256 2.970 20 0 GFADRO C[C@H]1C[C@@H](C(=O)N2CCN(C(=O)c3cccc(Cl)c3Cl)CC2)CC[NH2+]1 ZINC000262393983 553170509 /nfs/dbraw/zinc/17/05/09/553170509.db2.gz NFQRHNVFZSZIFZ-STQMWFEESA-N 1 0 384.307 2.666 20 0 GFADRO CC[NH2+][C@H](C)CNC(=O)c1nnn(-c2ccc(Br)cc2)c1C1CC1 ZINC000262485734 553171288 /nfs/dbraw/zinc/17/12/88/553171288.db2.gz SMLGZFBVFRFFLC-LLVKDONJSA-N 1 0 392.301 2.635 20 0 GFADRO CC[NH2+][C@H](C)CNC(=O)c1ccc(-n2nc(C)c(Br)c2C)cc1 ZINC000262476194 553171359 /nfs/dbraw/zinc/17/13/59/553171359.db2.gz QDHZNUASOGDRIO-LLVKDONJSA-N 1 0 379.302 2.979 20 0 GFADRO Cc1nn(Cc2cccc(Br)c2)c(C)c1C(=O)NC1CC[NH2+]CC1 ZINC000262524588 553171775 /nfs/dbraw/zinc/17/17/75/553171775.db2.gz ZUMBAUVWRDUFMS-UHFFFAOYSA-N 1 0 391.313 2.793 20 0 GFADRO COc1ccc(Br)cc1C(=O)CCC(=O)NCC[C@H]1CC[NH2+]C1 ZINC000262574380 553172369 /nfs/dbraw/zinc/17/23/69/553172369.db2.gz HTHRNWGUIXZWFN-GFCCVEGCSA-N 1 0 383.286 2.536 20 0 GFADRO O=C(N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1)c1ccc(Br)cn1 ZINC000262558728 553172426 /nfs/dbraw/zinc/17/24/26/553172426.db2.gz VSTRQTVBBGDIJO-LRDDRELGSA-N 1 0 396.235 2.998 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000262585993 553172986 /nfs/dbraw/zinc/17/29/86/553172986.db2.gz OPJZAQCPHHBGIB-AWEZNQCLSA-N 1 0 386.583 2.794 20 0 GFADRO O=C(c1ccn([C@@H]2CCC[NH2+]C2)n1)N1CCc2cccc(Br)c2C1 ZINC000262712882 553173803 /nfs/dbraw/zinc/17/38/03/553173803.db2.gz FXZIFJGIYUFMLR-CQSZACIVSA-N 1 0 389.297 2.769 20 0 GFADRO CCCN([C@@H]1CC[NH2+]C1)S(=O)(=O)c1ccc(Cl)cc1Br ZINC000262757909 553174970 /nfs/dbraw/zinc/17/49/70/553174970.db2.gz IKZIOYRRVBWFSV-LLVKDONJSA-N 1 0 381.723 2.865 20 0 GFADRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1 ZINC000262759528 553175099 /nfs/dbraw/zinc/17/50/99/553175099.db2.gz KOAIBOIUEHHQEN-CJNGLKHVSA-N 1 0 384.929 2.541 20 0 GFADRO CC[NH2+][C@H](C)CNS(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCCCO1 ZINC000262786329 553175487 /nfs/dbraw/zinc/17/54/87/553175487.db2.gz QMSDRIYVOHOGNG-UKRRQHHQSA-N 1 0 390.933 2.564 20 0 GFADRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)CCOc1ccc(Cl)cc1Br ZINC000262775934 553175545 /nfs/dbraw/zinc/17/55/45/553175545.db2.gz LSSWTCUSWMXTNR-GXFFZTMASA-N 1 0 375.694 2.986 20 0 GFADRO CO[C@H](C[NH3+])CC(=O)Nc1ncc(Cc2ccc(Br)cc2)s1 ZINC000262773107 553175780 /nfs/dbraw/zinc/17/57/80/553175780.db2.gz BKLZLVHIGNKPOT-LBPRGKRZSA-N 1 0 384.299 2.799 20 0 GFADRO COc1ccc(CNC(=O)c2ccn([C@H]3CCC[NH2+]C3)n2)cc1Br ZINC000262800095 553176245 /nfs/dbraw/zinc/17/62/45/553176245.db2.gz PEJFJGJYKDUCBH-ZDUSSCGKSA-N 1 0 393.285 2.509 20 0 GFADRO C[C@@H]1C[C@H](NS(=O)(=O)c2c(Cl)cc(F)cc2Br)CC[NH2+]1 ZINC000262799233 553176442 /nfs/dbraw/zinc/17/64/42/553176442.db2.gz QJGCTCGJXOQHKN-VXNVDRBHSA-N 1 0 385.686 2.660 20 0 GFADRO CN(Cc1ccc(Br)s1)C(=O)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000262820728 553176750 /nfs/dbraw/zinc/17/67/50/553176750.db2.gz RDBGNDWELILAOO-LLVKDONJSA-N 1 0 383.315 2.904 20 0 GFADRO CN(Cc1csc(Br)c1)C(=O)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000262868352 553177326 /nfs/dbraw/zinc/17/73/26/553177326.db2.gz XIDMANPWZWNIBX-LBPRGKRZSA-N 1 0 383.315 2.904 20 0 GFADRO COc1c(Cl)cc(NC(=O)C(=O)NCCC[NH+]2CCCCC2)cc1Cl ZINC000263718406 553192052 /nfs/dbraw/zinc/19/20/52/553192052.db2.gz RXNRJBZZSCSXHK-UHFFFAOYSA-N 1 0 388.295 2.933 20 0 GFADRO C[N@@H+]1CCC[C@@H](CCNS(=O)(=O)Cc2cccc(Br)c2)C1 ZINC000416550685 563846938 /nfs/dbraw/zinc/84/69/38/563846938.db2.gz FXXZDYQKAQRBGH-ZDUSSCGKSA-N 1 0 375.332 2.600 20 0 GFADRO Cc1cc(S(=O)(=O)NCC[C@H]2CCC[N@@H+](C)C2)sc1Br ZINC000416560525 563848184 /nfs/dbraw/zinc/84/81/84/563848184.db2.gz SLUSIGLLTUJUBV-LLVKDONJSA-N 1 0 381.361 2.829 20 0 GFADRO COc1cc(CNC(=O)N[C@@H](C[NH3+])CC(C)C)cc(Br)c1OC ZINC000417377455 563879360 /nfs/dbraw/zinc/87/93/60/563879360.db2.gz PLQUIXGSPRHUMQ-GFCCVEGCSA-N 1 0 388.306 2.639 20 0 GFADRO CC[N@@H+]1CCC[C@@H](CNS(=O)(=O)Cc2ccc(Br)c(F)c2)C1 ZINC000451141435 564279213 /nfs/dbraw/zinc/27/92/13/564279213.db2.gz CLAHDZVNQBYARQ-ZDUSSCGKSA-N 1 0 393.322 2.740 20 0 GFADRO COC[C@@H]1CCCCN1CC(=O)Nc1ccc(I)cc1 ZINC000452046660 564386456 /nfs/dbraw/zinc/38/64/56/564386456.db2.gz YOUGOCRZMYNQQD-AWEZNQCLSA-N 1 0 388.249 2.731 20 0 GFADRO Cc1sc(Br)c(C(=O)NC[C@@H]2CCC[N@@H+]2CCCO)c1C ZINC000452348794 564407194 /nfs/dbraw/zinc/40/71/94/564407194.db2.gz AUXMLHMUCALWFP-LBPRGKRZSA-N 1 0 375.332 2.704 20 0 GFADRO C[C@@]1(C[NH2+]Cc2cc(Br)cc(Br)c2)CCC(=O)N1 ZINC000453584429 564459171 /nfs/dbraw/zinc/45/91/71/564459171.db2.gz DZNXCYGLDANTQP-ZDUSSCGKSA-N 1 0 376.092 2.970 20 0 GFADRO C[C@@H]1[C@H]([N@H+](C)CCO)CCN1c1cc(C(F)(F)F)c(Br)cn1 ZINC000570205684 564496199 /nfs/dbraw/zinc/49/61/99/564496199.db2.gz JEQSGTIDSAZMHM-BXKDBHETSA-N 1 0 382.224 2.754 20 0 GFADRO CCC[C@H]1C[NH2+]CCN1C(=O)c1ccc(OC)cc1I ZINC000570042380 564488179 /nfs/dbraw/zinc/48/81/79/564488179.db2.gz SMUHRXWUWPCULG-NSHDSACASA-N 1 0 388.249 2.514 20 0 GFADRO OCC1([NH2+]Cc2ncc(Br)cc2Br)CCSCC1 ZINC000459725718 564758310 /nfs/dbraw/zinc/75/83/10/564758310.db2.gz LCVBFRUORVHXII-UHFFFAOYSA-N 1 0 396.148 2.954 20 0 GFADRO C[C@H](CNS(=O)(=O)c1c(Cl)cc(F)cc1Br)C[NH+](C)C ZINC000490041090 564760989 /nfs/dbraw/zinc/76/09/89/564760989.db2.gz GDFRPSHOMQPNRV-MRVPVSSYSA-N 1 0 387.702 2.718 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)c1csc(I)c1 ZINC000597858475 565578123 /nfs/dbraw/zinc/57/81/23/565578123.db2.gz LYLNHDREMJABQC-SNVBAGLBSA-N 1 0 378.279 2.955 20 0 GFADRO COc1cc(Br)c(S(=O)(=O)N[C@H]2CC[C@H](C[NH3+])C2)cc1Cl ZINC000420461849 563264420 /nfs/dbraw/zinc/26/44/20/563264420.db2.gz UZHYPUQRLVTUMY-IUCAKERBSA-N 1 0 397.722 2.517 20 0 GFADRO COCC[N@H+](C)C[C@H](O)COc1c(Br)cccc1Br ZINC000311439100 563435800 /nfs/dbraw/zinc/43/58/00/563435800.db2.gz FYVABHXRPKQFRR-JTQLQIEISA-N 1 0 397.107 2.530 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)NCCc2c[nH]c3cccc(Br)c23)C1 ZINC000418200099 563213225 /nfs/dbraw/zinc/21/32/25/563213225.db2.gz PHCFLGAJNNGSKH-YPMHNXCESA-N 1 0 379.302 2.852 20 0 GFADRO O=C(NCCc1ccc(Br)cc1Cl)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000418239861 563214150 /nfs/dbraw/zinc/21/41/50/563214150.db2.gz ZDHROBCQYHMMQT-CHWSQXEVSA-N 1 0 386.721 2.896 20 0 GFADRO O=C(N[C@@H]1CCc2c1ccc(F)c2Br)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000418243195 563214695 /nfs/dbraw/zinc/21/46/95/563214695.db2.gz BPXVZMODSZTNGO-VCTAVGKDSA-N 1 0 382.277 2.969 20 0 GFADRO C[C@@H](NC(=O)NCc1nc2c(cccc2Br)[nH]1)[C@@H]1CCC[NH2+]C1 ZINC000418269753 563214875 /nfs/dbraw/zinc/21/48/75/563214875.db2.gz QUAAZEODEBHEBD-GHMZBOCLSA-N 1 0 380.290 2.513 20 0 GFADRO CC1(CNC(=O)NCc2nc3c(cccc3Br)[nH]2)CC[NH2+]CC1 ZINC000418275191 563215756 /nfs/dbraw/zinc/21/57/56/563215756.db2.gz YVPYAFPELBCKKT-UHFFFAOYSA-N 1 0 380.290 2.514 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[N@@H+]1CCC[C@@H]1C[C@H](C)O ZINC000294772914 563215934 /nfs/dbraw/zinc/21/59/34/563215934.db2.gz JNNJQHZAKLOMDW-HEHGZKQESA-N 1 0 399.329 2.698 20 0 GFADRO [NH3+]C[C@H](NC(=O)NCC(=O)Nc1cccc(Br)c1)C1CCCCC1 ZINC000418358508 563216518 /nfs/dbraw/zinc/21/65/18/563216518.db2.gz ILCZLXLXHJGBMR-HNNXBMFYSA-N 1 0 397.317 2.594 20 0 GFADRO C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)N[C@@H]2CCC[NH2+]C2)CC1 ZINC000418383800 563216607 /nfs/dbraw/zinc/21/66/07/563216607.db2.gz NZNSWNMSSRKEKS-RHSMWYFYSA-N 1 0 395.345 2.589 20 0 GFADRO C[NH2+]C[C@@H](C)CNC(=O)N(Cc1cccc(Br)c1)C1CCOCC1 ZINC000418385875 563216610 /nfs/dbraw/zinc/21/66/10/563216610.db2.gz KXVJYHICXAVKJE-CQSZACIVSA-N 1 0 398.345 2.995 20 0 GFADRO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)C[NH2+][C@@H]1CCOC[C@@H]1C ZINC000277616940 563216842 /nfs/dbraw/zinc/21/68/42/563216842.db2.gz YHRAGNZZMJSAEX-TVQRCGJNSA-N 1 0 375.252 2.733 20 0 GFADRO C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)N[C@H](C[NH3+])C2CC2)CC1 ZINC000418393251 563217304 /nfs/dbraw/zinc/21/73/04/563217304.db2.gz FAUVKVRYCLOJBD-SUMWQHHRSA-N 1 0 395.345 2.575 20 0 GFADRO CN(CC(=O)NC[C@H]1CC[N@H+](C)[C@H]1c1cccs1)C(=O)c1cccs1 ZINC000369567663 563217305 /nfs/dbraw/zinc/21/73/05/563217305.db2.gz IKBSVESZLRGYBG-CXAGYDPISA-N 1 0 377.535 2.691 20 0 GFADRO C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)NC[C@@H]([NH3+])C2CC2)CC1 ZINC000418480981 563218613 /nfs/dbraw/zinc/21/86/13/563218613.db2.gz CGLBWFSXIUUWKZ-SUMWQHHRSA-N 1 0 395.345 2.575 20 0 GFADRO C[C@@H]1[C@@H](c2ccc(Br)cc2)OCCN1C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000418483384 563218782 /nfs/dbraw/zinc/21/87/82/563218782.db2.gz CCPZDLDMKPQWPZ-LYRGGWFBSA-N 1 0 382.302 2.658 20 0 GFADRO COCC[NH2+]CCNC(=O)N1CCC[C@@H]1c1ccc(Br)c(F)c1 ZINC000418513713 563219497 /nfs/dbraw/zinc/21/94/97/563219497.db2.gz VPVXHOQASNQVOO-OAHLLOKOSA-N 1 0 388.281 2.671 20 0 GFADRO Cc1nn(C)c(CN2CCC[C@@H]2C[NH+]2C[C@H](C)O[C@@H](C)C2)c1Br ZINC000369627598 563219650 /nfs/dbraw/zinc/21/96/50/563219650.db2.gz GFURRUTVRADLBA-KCQAQPDRSA-N 1 0 385.350 2.565 20 0 GFADRO CC(C)OCCOC[C@H](O)CN(C)Cc1cccc(F)c1Br ZINC000294882935 563219890 /nfs/dbraw/zinc/21/98/90/563219890.db2.gz QXCMAOCTBZZUNB-CQSZACIVSA-N 1 0 378.282 2.823 20 0 GFADRO O=C(NCCNc1cccc(Br)c1)NCc1ccc2c(c1)C[NH2+]C2 ZINC000418551338 563220326 /nfs/dbraw/zinc/22/03/26/563220326.db2.gz IZQKHRQIEVOJHG-UHFFFAOYSA-N 1 0 389.297 2.964 20 0 GFADRO CC(C)(COc1ncccc1Br)NC(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000418583721 563220713 /nfs/dbraw/zinc/22/07/13/563220713.db2.gz NVIJDBZVBBBXLV-VXGBXAGGSA-N 1 0 385.306 2.571 20 0 GFADRO CC(C)(COc1ncccc1Br)NC(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000418583718 563220990 /nfs/dbraw/zinc/22/09/90/563220990.db2.gz NVIJDBZVBBBXLV-NEPJUHHUSA-N 1 0 385.306 2.571 20 0 GFADRO Cn1ncc(Br)c1C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000294909960 563221830 /nfs/dbraw/zinc/22/18/30/563221830.db2.gz DWZCXQBNBQFXKD-AWEZNQCLSA-N 1 0 377.286 2.577 20 0 GFADRO C[C@@H](CCCC[NH3+])NC(=O)NC(C)(C)COc1ncccc1Br ZINC000418675490 563221946 /nfs/dbraw/zinc/22/19/46/563221946.db2.gz RAQZHVVYMOBMBY-LBPRGKRZSA-N 1 0 387.322 2.818 20 0 GFADRO C[C@@H]([NH3+])[C@@H](C)NC(=O)N1CCN(c2ccc(C(F)(F)F)cc2Cl)CC1 ZINC000418688851 563221981 /nfs/dbraw/zinc/22/19/81/563221981.db2.gz BECOSJBEIXCWKE-GHMZBOCLSA-N 1 0 378.826 2.926 20 0 GFADRO O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC000294934473 563222154 /nfs/dbraw/zinc/22/21/54/563222154.db2.gz LCTLHXAVKHNUFH-PXAZEXFGSA-N 1 0 387.307 2.644 20 0 GFADRO [NH3+][C@@H]1CCC[C@H](CNC(=O)N[C@@H](CCO)c2ccccc2Br)C1 ZINC000418735800 563223308 /nfs/dbraw/zinc/22/33/08/563223308.db2.gz WRGKKGVMINUVHA-ZENOOKHLSA-N 1 0 384.318 2.689 20 0 GFADRO Cc1c(Br)cccc1C(=O)NC[C@H]1CCC[C@H]1[NH+]1CCOCC1 ZINC000369727758 563223426 /nfs/dbraw/zinc/22/34/26/563223426.db2.gz QOWHHWAODFJJRF-RHSMWYFYSA-N 1 0 381.314 2.988 20 0 GFADRO CN(C(=O)N[C@@H](CC[NH3+])C(F)F)[C@H]1CCOc2ccc(Br)cc21 ZINC000418739309 563223488 /nfs/dbraw/zinc/22/34/88/563223488.db2.gz MLYAMWKWJMBONB-RYUDHWBXSA-N 1 0 392.244 2.897 20 0 GFADRO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N[C@@H](c1cccs1)c1ccc(Cl)cc1 ZINC000418753570 563224151 /nfs/dbraw/zinc/22/41/51/563224151.db2.gz AWWZWLPSZFUTMZ-GOEBONIOSA-N 1 0 379.913 2.707 20 0 GFADRO CSc1ccc([C@H](CNC(=O)Cn2c(C)c(C)sc2=O)[NH+](C)C)cc1 ZINC000294977083 563224403 /nfs/dbraw/zinc/22/44/03/563224403.db2.gz TXOKOACVSJZHOY-INIZCTEOSA-N 1 0 379.551 2.668 20 0 GFADRO CN(C(=O)N[C@@H]1C[NH2+]CCC1(F)F)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000418755036 563224454 /nfs/dbraw/zinc/22/44/54/563224454.db2.gz IJHHDMODXSZXSI-BFHYXJOUSA-N 1 0 394.249 2.590 20 0 GFADRO [NH3+]C1CCN(C(=O)C(=O)N[C@H](c2cccs2)c2ccc(Cl)cc2)CC1 ZINC000418755639 563224474 /nfs/dbraw/zinc/22/44/74/563224474.db2.gz DCGWTGNQRNGYFO-INIZCTEOSA-N 1 0 377.897 2.557 20 0 GFADRO C[N@@H+](Cc1ccc2c(c1)NC(=O)CO2)C[C@@H](O)c1ccccc1Br ZINC000294982369 563224860 /nfs/dbraw/zinc/22/48/60/563224860.db2.gz YFURBHLMUBTCGP-MRXNPFEDSA-N 1 0 391.265 2.945 20 0 GFADRO C[NH2+]CCCN(C)C(=O)C(=O)N[C@@H](c1cccs1)c1ccc(Cl)cc1 ZINC000418771134 563225007 /nfs/dbraw/zinc/22/50/07/563225007.db2.gz XTUSPILMAYEZPS-MRXNPFEDSA-N 1 0 379.913 2.675 20 0 GFADRO O=C(N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)N1CCc2ccc(Br)cc2C1 ZINC000418782035 563225722 /nfs/dbraw/zinc/22/57/22/563225722.db2.gz DIGFYTLXAZUWCU-CKEIUWERSA-N 1 0 378.314 2.905 20 0 GFADRO CN(C(=O)C(=O)N[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl)[C@@H]1CCC[NH2+]CC1 ZINC000418812672 563226656 /nfs/dbraw/zinc/22/66/56/563226656.db2.gz BRXOXLURRBPZBM-IVMMDQJWSA-N 1 0 384.307 2.566 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)N[C@@H]2C[C@H]2c2ccc(Cl)cc2Cl)C1 ZINC000418816388 563226736 /nfs/dbraw/zinc/22/67/36/563226736.db2.gz KZVQTVAEVUJJTI-KFYUAXIPSA-N 1 0 384.307 2.551 20 0 GFADRO [NH3+]C1(CNC(=O)C(=O)N[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)CCCCC1 ZINC000418816294 563226778 /nfs/dbraw/zinc/22/67/78/563226778.db2.gz KIAUFZMPMZYEFN-SWLSCSKDSA-N 1 0 384.307 2.743 20 0 GFADRO COc1cc(C[NH2+]CC[C@@H](C)CCO)cc(I)c1OC ZINC000295063487 563227288 /nfs/dbraw/zinc/22/72/88/563227288.db2.gz GRSPIGCODDULTM-LLVKDONJSA-N 1 0 393.265 2.807 20 0 GFADRO C[C@@H](NC(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1)c1cc(F)c(Cl)cc1Cl ZINC000418832726 563227321 /nfs/dbraw/zinc/22/73/21/563227321.db2.gz HNGLIYWEEOWSNE-QGHHPUGFSA-N 1 0 388.270 2.522 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+][C@@H](C)CC(C)(C)O ZINC000295055257 563227457 /nfs/dbraw/zinc/22/74/57/563227457.db2.gz NTGLEIUFRXCNML-RYUDHWBXSA-N 1 0 387.318 2.602 20 0 GFADRO C[C@H](NC(=O)C(=O)N1C[C@H](C[NH3+])C[C@H]1C)c1cc(F)c(Cl)cc1Cl ZINC000418856524 563228176 /nfs/dbraw/zinc/22/81/76/563228176.db2.gz XARJKGYGGVACPG-UTLUCORTSA-N 1 0 376.259 2.505 20 0 GFADRO CCC([NH3+])(CC)CNC(=O)C(=O)N[C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000418889972 563229258 /nfs/dbraw/zinc/22/92/58/563229258.db2.gz IQKIHHCPETXNKQ-JOCQHMNTSA-N 1 0 386.323 2.989 20 0 GFADRO C[C@@H](NC(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1ccc(Cl)cc1Cl ZINC000418959472 563231578 /nfs/dbraw/zinc/23/15/78/563231578.db2.gz ZZVASPJKQZTGDS-GFQSEFKGSA-N 1 0 384.307 2.675 20 0 GFADRO C[C@H](NC(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1cc(Cl)ccc1Cl ZINC000418951146 563231670 /nfs/dbraw/zinc/23/16/70/563231670.db2.gz HXRDQJJNKQPQEI-ZJQBRPOHSA-N 1 0 384.307 2.675 20 0 GFADRO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1c1ccc(Br)c(C(F)(F)F)n1 ZINC000419010071 563232718 /nfs/dbraw/zinc/23/27/18/563232718.db2.gz YFKUJNQPVDGPEU-NXEZZACHSA-N 1 0 382.224 2.754 20 0 GFADRO [NH3+]C1(CNC(=O)C(=O)N[C@H](c2ccsc2)c2ccc(Cl)cc2)CCC1 ZINC000419125924 563233828 /nfs/dbraw/zinc/23/38/28/563233828.db2.gz LLEXTJCYPOYMEY-HNNXBMFYSA-N 1 0 377.897 2.605 20 0 GFADRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)CCc3ccc(Br)cc3)CC2)C1 ZINC000370111934 563233995 /nfs/dbraw/zinc/23/39/95/563233995.db2.gz NBWQXEFFCUTWKZ-GOSISDBHSA-N 1 0 394.357 2.620 20 0 GFADRO C[NH2+]CCN(C)C(=O)C(=O)NCC1(c2ccc(Cl)cc2Cl)CCCC1 ZINC000419131525 563234399 /nfs/dbraw/zinc/23/43/99/563234399.db2.gz CREIKSWVHBHZNQ-UHFFFAOYSA-N 1 0 386.323 2.599 20 0 GFADRO CCCN(C(=O)C(=O)N[C@@H](C)c1ccc(Br)cc1)C1CC[NH2+]CC1 ZINC000419153689 563234576 /nfs/dbraw/zinc/23/45/76/563234576.db2.gz PYXNPJAELQTVAG-ZDUSSCGKSA-N 1 0 396.329 2.617 20 0 GFADRO CN(Cc1nc(-c2ccc(Br)cc2)c[nH]1)[C@@H]1CCN2CCO[C@H]1C2 ZINC000295199686 563234633 /nfs/dbraw/zinc/23/46/33/563234633.db2.gz YKPQZVDALWVVAE-SJORKVTESA-N 1 0 391.313 2.744 20 0 GFADRO C[C@@H](CC[NH3+])NC(=O)C(=O)NCC1(c2ccc(Cl)cc2Cl)CCCC1 ZINC000419158603 563234881 /nfs/dbraw/zinc/23/48/81/563234881.db2.gz WRMZFCBUYBVPQI-LBPRGKRZSA-N 1 0 386.323 2.775 20 0 GFADRO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)C[NH2+][C@H]1CCOC1(C)C ZINC000295197300 563234979 /nfs/dbraw/zinc/23/49/79/563234979.db2.gz KHDHKYPSNSHEKH-LBPRGKRZSA-N 1 0 375.252 2.876 20 0 GFADRO COc1ccc(Br)c(C(=O)NCCC[NH2+][C@@H]2C[C@H](C)O[C@@H]2C)c1 ZINC000295248489 563238184 /nfs/dbraw/zinc/23/81/84/563238184.db2.gz UAXZXJLIDZVKCW-HWWQOWPSSA-N 1 0 385.302 2.733 20 0 GFADRO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NCC(C)(C)c1ccc(Cl)c(Cl)c1 ZINC000419365383 563239486 /nfs/dbraw/zinc/23/94/86/563239486.db2.gz TZWXGWJBLMGFOC-CYBMUJFWSA-N 1 0 386.323 2.598 20 0 GFADRO O=C(NCc1cccc(Br)c1)N1CCC[C@@H]1C[N@H+]1CCC[C@H]1CO ZINC000370297074 563239719 /nfs/dbraw/zinc/23/97/19/563239719.db2.gz AUGRGYCTKKZNCH-SJORKVTESA-N 1 0 396.329 2.580 20 0 GFADRO C[C@H](CNC(=O)C(=O)NC[C@]1(C)CCC[NH2+]C1)c1c(Cl)cccc1Cl ZINC000419510463 563240968 /nfs/dbraw/zinc/24/09/68/563240968.db2.gz BIUXKEOBMZPTDO-KZULUSFZSA-N 1 0 386.323 2.719 20 0 GFADRO C[C@H](CNC(=O)C(=O)NCC[C@H]1CCC[NH2+]C1)c1c(Cl)cccc1Cl ZINC000419512835 563241244 /nfs/dbraw/zinc/24/12/44/563241244.db2.gz DUENESMLJQASMJ-CHWSQXEVSA-N 1 0 386.323 2.719 20 0 GFADRO C[N@H+]1CC=C(CNC(=O)[C@@H]2CCN(c3cc(Cl)cc(Cl)c3)C2=O)CC1 ZINC000370359642 563241930 /nfs/dbraw/zinc/24/19/30/563241930.db2.gz OWFARZRZEYEBTF-INIZCTEOSA-N 1 0 382.291 2.724 20 0 GFADRO C[NH2+]CCCNC(=O)C(=O)N[C@H](C)c1ccc(-c2ccc(Cl)cc2)s1 ZINC000419614432 563242992 /nfs/dbraw/zinc/24/29/92/563242992.db2.gz MYRJICXYBOVKPQ-GFCCVEGCSA-N 1 0 379.913 2.971 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N[C@H](C)Cc1c(Cl)cccc1Cl ZINC000419592967 563243065 /nfs/dbraw/zinc/24/30/65/563243065.db2.gz MOZAKIIPNQCBBN-XHBSWPGZSA-N 1 0 386.323 2.769 20 0 GFADRO C[C@H](Sc1nc2ccccc2s1)C(=O)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000295361694 563243859 /nfs/dbraw/zinc/24/38/59/563243859.db2.gz FSROLFWATZTGKO-KBPBESRZSA-N 1 0 379.551 2.740 20 0 GFADRO CC[C@H](C)N1CCN(S(=O)(=O)c2cc(Cl)c(NC(C)=O)cc2F)CC1 ZINC000295375450 563244495 /nfs/dbraw/zinc/24/44/95/563244495.db2.gz QAVZVRNZFUZEPF-NSHDSACASA-N 1 0 391.896 2.542 20 0 GFADRO CC(C)(C(=O)N[C@H]1CCC[N@H+](CCCO)C1)c1ccccc1Br ZINC000295397787 563245340 /nfs/dbraw/zinc/24/53/40/563245340.db2.gz IEUOMVMWKDKAQC-AWEZNQCLSA-N 1 0 383.330 2.690 20 0 GFADRO C[NH+](C)C[C@H]1CN(C(=O)c2c[nH]c(=O)c(Br)c2)c2ccccc2O1 ZINC000370495106 563245837 /nfs/dbraw/zinc/24/58/37/563245837.db2.gz QCHFQVYJWJOHME-LBPRGKRZSA-N 1 0 392.253 2.519 20 0 GFADRO CC(C)(CNC(=O)C(=O)N1CCC(C[NH3+])CC1)c1c(Cl)cccc1Cl ZINC000419696500 563246247 /nfs/dbraw/zinc/24/62/47/563246247.db2.gz ONNBPBJYPHQJCT-UHFFFAOYSA-N 1 0 386.323 2.585 20 0 GFADRO COc1ccc2c(c1)[C@@](O)(C[NH2+]Cc1c(Br)c(C)nn1C)CCC2 ZINC000370510481 563246273 /nfs/dbraw/zinc/24/62/73/563246273.db2.gz XMMAHUWGTGKCOT-SFHVURJKSA-N 1 0 394.313 2.813 20 0 GFADRO CC(C)(CNC(=O)C(=O)N[C@H]1CCC[C@@H]1C[NH3+])c1c(Cl)cccc1Cl ZINC000419701247 563246668 /nfs/dbraw/zinc/24/66/68/563246668.db2.gz YYMJZGHCOCCOTA-RISCZKNCSA-N 1 0 386.323 2.631 20 0 GFADRO CC(C)(CNC(=O)C(=O)NCC[C@H]1CCC[NH2+]1)c1c(Cl)cccc1Cl ZINC000419701188 563246928 /nfs/dbraw/zinc/24/69/28/563246928.db2.gz YPMIDODTEIUGHA-GFCCVEGCSA-N 1 0 386.323 2.646 20 0 GFADRO Cc1c(CNC(=O)C(=O)N2C[C@@H](C[NH3+])C[C@@H]2C)sc2ccc(Cl)cc12 ZINC000419708976 563247580 /nfs/dbraw/zinc/24/75/80/563247580.db2.gz MNAOACKBBOHOJN-CMPLNLGQSA-N 1 0 379.913 2.675 20 0 GFADRO CCS(=O)(=O)N1CCC([NH2+]C2CCN(c3ccc(Cl)cc3)CC2)CC1 ZINC000370669464 563251370 /nfs/dbraw/zinc/25/13/70/563251370.db2.gz LHTBGMGQXGGQSS-UHFFFAOYSA-N 1 0 385.961 2.713 20 0 GFADRO C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCN2c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000370721247 563253397 /nfs/dbraw/zinc/25/33/97/563253397.db2.gz GEGPJZWXRHJXKK-YPMHNXCESA-N 1 0 376.810 2.543 20 0 GFADRO CS[C@@H](CO)[C@H](C)NC(=O)C1CC[NH+](Cc2ccc(Cl)s2)CC1 ZINC000370735596 563254086 /nfs/dbraw/zinc/25/40/86/563254086.db2.gz WGWOWKFHBACDFG-FZMZJTMJSA-N 1 0 376.975 2.842 20 0 GFADRO O=C(N[C@@H]1CCC[N@@H+](CCCO)C1)c1cc(Cl)c(Br)cc1F ZINC000295569476 563254594 /nfs/dbraw/zinc/25/45/94/563254594.db2.gz UYXFLRYSGQZEJV-SNVBAGLBSA-N 1 0 393.684 2.818 20 0 GFADRO O=C(NC[C@H]1CCC[C@@H]1[NH+]1CCOCC1)c1ccc(Br)c(F)c1 ZINC000370777144 563254937 /nfs/dbraw/zinc/25/49/37/563254937.db2.gz WNSLWRKSNNNPBS-CJNGLKHVSA-N 1 0 385.277 2.819 20 0 GFADRO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N(Cc1cccc(Br)c1)C(C)C ZINC000419980897 563255238 /nfs/dbraw/zinc/25/52/38/563255238.db2.gz SKEQDACGBDEBHN-MRXNPFEDSA-N 1 0 398.345 2.676 20 0 GFADRO Cc1cc(Br)c(C(=O)NC[C@@](C)(O)CC[NH+](C)C)cc1Cl ZINC000420005918 563256051 /nfs/dbraw/zinc/25/60/51/563256051.db2.gz YCVPGKNBHZIXAR-HNNXBMFYSA-N 1 0 377.710 2.843 20 0 GFADRO CN(C(=O)c1ccc(Br)s1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000370832736 563257391 /nfs/dbraw/zinc/25/73/91/563257391.db2.gz ZJVXOTWIIBXMDD-ZDUSSCGKSA-N 1 0 386.359 2.751 20 0 GFADRO Cn1ccnc1CN1CCCN(C(=O)CSc2ccc(Cl)cc2)CC1 ZINC000370857800 563258212 /nfs/dbraw/zinc/25/82/12/563258212.db2.gz AKYJAOOTPKTEQD-UHFFFAOYSA-N 1 0 378.929 2.900 20 0 GFADRO CC(C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000420110331 563258782 /nfs/dbraw/zinc/25/87/82/563258782.db2.gz FNHARAMKKFOCNN-WBMJQRKESA-N 1 0 386.323 2.845 20 0 GFADRO C[C@@H]1c2c(Cl)cc(Cl)cc2CCN1C(=O)C(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000420189090 563259812 /nfs/dbraw/zinc/25/98/12/563259812.db2.gz FVABISUZFWKREZ-GYSYKLTISA-N 1 0 384.307 2.683 20 0 GFADRO C[NH2+]CCN(C)[C@H](C)C(=O)Nc1ccc(Br)cc1Br ZINC000420332306 563261881 /nfs/dbraw/zinc/26/18/81/563261881.db2.gz BMSZKBBLRPXOKF-SECBINFHSA-N 1 0 393.123 2.690 20 0 GFADRO O=C1[C@@H](N2CCC[C@@]3(CC[NH2+]C3)C2)CCN1c1cccc(Br)c1 ZINC000420348383 563262065 /nfs/dbraw/zinc/26/20/65/563262065.db2.gz LETVBYPURRHICN-WMZOPIPTSA-N 1 0 378.314 2.630 20 0 GFADRO O=c1cccc2n1C[C@H]1C[C@@H]2C[N@H+](C[C@H](O)c2ccccc2Br)C1 ZINC000295774753 563262383 /nfs/dbraw/zinc/26/23/83/563262383.db2.gz YTCCJSCIEDMISI-IYOUNJFTSA-N 1 0 389.293 2.764 20 0 GFADRO NC(=O)[C@H](c1ccc(Br)cc1)N1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000420395733 563263041 /nfs/dbraw/zinc/26/30/41/563263041.db2.gz UOMKSQGZIGOIDV-BBWFWOEESA-N 1 0 392.272 2.541 20 0 GFADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1CC(=O)Nc1ccc(Br)cc1 ZINC000278619016 563263177 /nfs/dbraw/zinc/26/31/77/563263177.db2.gz JTBITXXHXJPJEV-AWEZNQCLSA-N 1 0 396.329 2.573 20 0 GFADRO O=S(=O)(c1ccc2cc(Br)ccc2c1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000420445345 563263763 /nfs/dbraw/zinc/26/37/63/563263763.db2.gz FJLCFTYTKWYNAK-CJNGLKHVSA-N 1 0 381.295 2.585 20 0 GFADRO O=S(=O)(c1ccc(C(F)(F)F)c(F)c1)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420457123 563263900 /nfs/dbraw/zinc/26/39/00/563263900.db2.gz HINDVXXKZNKEFZ-NHYWBVRUSA-N 1 0 380.407 2.997 20 0 GFADRO COc1ccc(C(=O)N2CC(C)(C)[C@H]2c2nccn2C)nc1Br ZINC000295815523 563264112 /nfs/dbraw/zinc/26/41/12/563264112.db2.gz HFCKZIQWBDACEC-GFCCVEGCSA-N 1 0 379.258 2.810 20 0 GFADRO Cc1cc(S(=O)(=O)N2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)ccc1Br ZINC000420466393 563264379 /nfs/dbraw/zinc/26/43/79/563264379.db2.gz RHBWMFXSPVLHKH-CZUORRHYSA-N 1 0 387.343 2.910 20 0 GFADRO C[C@@H]1OCC[C@]1(O)C[NH2+]C1CCN(Cc2ccccc2Br)CC1 ZINC000278656190 563264990 /nfs/dbraw/zinc/26/49/90/563264990.db2.gz MSBKHCGDZJCXTB-KSSFIOAISA-N 1 0 383.330 2.543 20 0 GFADRO [NH3+][C@@H]1CN(S(=O)(=O)c2ccc(Br)cc2)C[C@H]1c1cccc(F)c1 ZINC000420468518 563265113 /nfs/dbraw/zinc/26/51/13/563265113.db2.gz GFUZBDMQWWLYOC-JKSUJKDBSA-N 1 0 399.285 2.704 20 0 GFADRO O=S(=O)(c1sccc1Br)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420471666 563265365 /nfs/dbraw/zinc/26/53/65/563265365.db2.gz YNDXCFOMWOQKIB-CMPLNLGQSA-N 1 0 379.345 2.663 20 0 GFADRO C[C@@H]1CCN(S(=O)(=O)c2cc(Cl)c(Br)cc2F)C[C@@H]1C[NH3+] ZINC000420485256 563265846 /nfs/dbraw/zinc/26/58/46/563265846.db2.gz ZKRNQNLNGWJARK-BDAKNGLRSA-N 1 0 399.713 2.847 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]C[C@H](OC)C(C)C ZINC000295894859 563266983 /nfs/dbraw/zinc/26/69/83/563266983.db2.gz YSBSHFDCGBVAPX-LRDDRELGSA-N 1 0 387.318 2.723 20 0 GFADRO C[C@H]1C[N@H+](CCCNC(=O)[C@@H]2COc3ccc(Br)cc32)CCCO1 ZINC000278703168 563267511 /nfs/dbraw/zinc/26/75/11/563267511.db2.gz VGZAROWBHQQTAL-XJKSGUPXSA-N 1 0 397.313 2.542 20 0 GFADRO Cc1cc(Br)c(CN2CCC[C@@]3(C2)NC(=O)NC3=O)cc1Cl ZINC000295928230 563268132 /nfs/dbraw/zinc/26/81/32/563268132.db2.gz AKTOOLLGRIEHCX-HNNXBMFYSA-N 1 0 386.677 2.585 20 0 GFADRO C[C@H](CNS(=O)(=O)c1cc(F)ccc1OC(F)F)[N@@H+]1CCCC[C@H]1C ZINC000420660944 563270697 /nfs/dbraw/zinc/27/06/97/563270697.db2.gz ZDDNHDYPGWCEIW-VXGBXAGGSA-N 1 0 380.432 2.968 20 0 GFADRO C[N@@H+]1CC[C@H]2CCN(c3ncc(Cn4cc(Br)cn4)s3)[C@H]2C1 ZINC000278810429 563271369 /nfs/dbraw/zinc/27/13/69/563271369.db2.gz SCOUSRUWGZBJLN-FZMZJTMJSA-N 1 0 382.331 2.681 20 0 GFADRO CN(CC[C@@H]1CCCC[N@@H+]1C)S(=O)(=O)c1cc(F)ccc1OC(F)F ZINC000420673740 563272231 /nfs/dbraw/zinc/27/22/31/563272231.db2.gz MCMSEZKUYDXJHC-ZDUSSCGKSA-N 1 0 380.432 2.922 20 0 GFADRO CC[C@H](NC(=O)NC1CC[NH+](Cc2cccs2)CC1)[C@H](O)C(F)(F)F ZINC000371379767 563275031 /nfs/dbraw/zinc/27/50/31/563275031.db2.gz RKILSHDJAYNYCA-KBPBESRZSA-N 1 0 379.448 2.714 20 0 GFADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)c1cc(F)c(Cl)nc1Cl ZINC000278888078 563275551 /nfs/dbraw/zinc/27/55/51/563275551.db2.gz PYUXMIFRMGGQSC-JTQLQIEISA-N 1 0 376.259 2.853 20 0 GFADRO COc1ccc(CN2CCC[C@H](C[NH+]3CCN(C)CC3)C2)cc1Br ZINC000371426223 563277054 /nfs/dbraw/zinc/27/70/54/563277054.db2.gz WGLSYVNWCIDXNK-QGZVFWFLSA-N 1 0 396.373 2.917 20 0 GFADRO Cc1cn2c(n1)CC[C@@H]([NH2+][C@H](C)C(=O)Nc1ccccc1Br)C2 ZINC000371491679 563278995 /nfs/dbraw/zinc/27/89/95/563278995.db2.gz UPSDBVKSSPDAFM-CHWSQXEVSA-N 1 0 377.286 2.886 20 0 GFADRO C[N@H+]1CC=C(CNC(=O)N[C@@H]2CCN(c3ccccc3Br)C2)CC1 ZINC000371515248 563279983 /nfs/dbraw/zinc/27/99/83/563279983.db2.gz UPSIOBGYJARZPR-OAHLLOKOSA-N 1 0 393.329 2.589 20 0 GFADRO Cc1cc(F)c(Br)cc1S(=O)(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000420728932 563280099 /nfs/dbraw/zinc/28/00/99/563280099.db2.gz BEGAPWACYSQZEY-NSHDSACASA-N 1 0 379.295 2.611 20 0 GFADRO C[NH+](C)C1(CNC(=O)c2c(F)ccc(Br)c2F)CCOCC1 ZINC000279008744 563280409 /nfs/dbraw/zinc/28/04/09/563280409.db2.gz LJPCSZYERLXQLO-UHFFFAOYSA-N 1 0 377.229 2.568 20 0 GFADRO CC[C@@H](C)[NH+]1CCN(C(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)CC1 ZINC000296258079 563281314 /nfs/dbraw/zinc/28/13/14/563281314.db2.gz LNWLDUPOTOLUBM-GFCCVEGCSA-N 1 0 375.441 2.631 20 0 GFADRO COc1cc(OC)c(S(=O)(=O)NC2CCC([NH+](C)C)CC2)cc1Cl ZINC000420746110 563282171 /nfs/dbraw/zinc/28/21/71/563282171.db2.gz MXMZKEQLXYLINC-UHFFFAOYSA-N 1 0 376.906 2.508 20 0 GFADRO C[NH+](C)CCN1CCCN(C(=O)CCc2cc(Br)cs2)CC1 ZINC000371590247 563282530 /nfs/dbraw/zinc/28/25/30/563282530.db2.gz MNSYUYQLQSITQR-UHFFFAOYSA-N 1 0 388.375 2.539 20 0 GFADRO COc1ccc(S(=O)(=O)NC2CCC([NH+](C)C)CC2)c(Br)c1 ZINC000420752148 563283720 /nfs/dbraw/zinc/28/37/20/563283720.db2.gz XPFAWIPXZFZNFU-UHFFFAOYSA-N 1 0 391.331 2.609 20 0 GFADRO Cc1nn(C)c(C[NH2+]CCc2nc3cc(F)ccc3n2C)c1Br ZINC000279114220 563284668 /nfs/dbraw/zinc/28/46/68/563284668.db2.gz KUYBEVUODVSEPD-UHFFFAOYSA-N 1 0 380.265 2.849 20 0 GFADRO CN(Cc1ccco1)C(=O)C[NH+]1CCC(Cn2cc(Br)cn2)CC1 ZINC000371729289 563286026 /nfs/dbraw/zinc/28/60/26/563286026.db2.gz ZUCNFHZNUPTCQG-UHFFFAOYSA-N 1 0 395.301 2.609 20 0 GFADRO O=C(C[NH+]1CCC(Cn2cc(Br)cn2)CC1)NCc1ccccc1 ZINC000371728662 563286045 /nfs/dbraw/zinc/28/60/45/563286045.db2.gz TYIUDYRUUVRGMV-UHFFFAOYSA-N 1 0 391.313 2.674 20 0 GFADRO CSc1ccccc1NC(=O)[C@H](C)N1CCC2(CC1)SCC(=O)N2C ZINC000371783562 563287199 /nfs/dbraw/zinc/28/71/99/563287199.db2.gz KGUDMGIBMANBMB-ZDUSSCGKSA-N 1 0 379.551 2.733 20 0 GFADRO Cc1noc(C2CCC([NH2+][C@H](C(N)=O)c3ccc(Br)cc3)CC2)n1 ZINC000371918479 563291002 /nfs/dbraw/zinc/29/10/02/563291002.db2.gz LZUIZIOIJOWXSU-ZALBZXLWSA-N 1 0 393.285 2.983 20 0 GFADRO CCn1nc(C)c(C[NH2+]C[C@H]2CCN(c3ccc(Br)cc3)C2)n1 ZINC000296555256 563291673 /nfs/dbraw/zinc/29/16/73/563291673.db2.gz UVVLXJHESPZTIT-CQSZACIVSA-N 1 0 378.318 2.985 20 0 GFADRO CC[C@H]([NH2+][C@H]1CCN(CCN2CCOCC2)C1)c1cccc(Br)c1 ZINC000372047469 563294362 /nfs/dbraw/zinc/29/43/62/563294362.db2.gz ROKCZGKHEOIDSM-OALUTQOASA-N 1 0 396.373 2.896 20 0 GFADRO C[NH+](C)C[C@@H]1CN(CC(=O)Nc2c(Cl)cccc2C(F)(F)F)CCO1 ZINC000372087105 563295522 /nfs/dbraw/zinc/29/55/22/563295522.db2.gz ZCOZZIFMFBAKSE-LLVKDONJSA-N 1 0 379.810 2.560 20 0 GFADRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)Nc1cccc(F)c1I ZINC000421079567 563295686 /nfs/dbraw/zinc/29/56/86/563295686.db2.gz BWNKHTGNLLTVBO-JTQLQIEISA-N 1 0 391.228 2.988 20 0 GFADRO Cn1c(Cl)cnc1CN1CCCN(c2ccncc2Br)CC1 ZINC000372233912 563299756 /nfs/dbraw/zinc/29/97/56/563299756.db2.gz UXZZAQAMJZAZCV-UHFFFAOYSA-N 1 0 384.709 2.943 20 0 GFADRO O=C(Nc1cncc(Br)c1)N1CCC[N@@H+](C2CCOCC2)CC1 ZINC000372299520 563301246 /nfs/dbraw/zinc/30/12/46/563301246.db2.gz ZYVYMNOAADVCPU-UHFFFAOYSA-N 1 0 383.290 2.563 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[N@@H+]1CCC[C@@](C)(O)CC1 ZINC000296782306 563301671 /nfs/dbraw/zinc/30/16/71/563301671.db2.gz LWLKKEKHWRHMQI-SCLBCKFNSA-N 1 0 399.329 2.699 20 0 GFADRO COC(=O)C[C@@H]1CC[C@H]([NH2+][C@H](C(N)=O)c2cccc(Br)c2)[C@@H]1C ZINC000279609923 563302626 /nfs/dbraw/zinc/30/26/26/563302626.db2.gz FMKJTNUVNYSNKS-AZLWOZFGSA-N 1 0 383.286 2.543 20 0 GFADRO O=C(NCC[NH+]1CCC(O)CC1)C1(c2ccc(Br)cc2)CCCC1 ZINC000296867380 563305652 /nfs/dbraw/zinc/30/56/52/563305652.db2.gz IKIABNKGPOOLMT-UHFFFAOYSA-N 1 0 395.341 2.834 20 0 GFADRO Cc1nc2ccc(Br)cn2c1C(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000279716259 563307495 /nfs/dbraw/zinc/30/74/95/563307495.db2.gz AWVYDLXAVHXXEW-BXUZGUMPSA-N 1 0 379.302 2.960 20 0 GFADRO C[C@@H](CCc1ccc(I)cc1)[NH2+]CC1(CC(N)=O)CC1 ZINC000421351768 563308603 /nfs/dbraw/zinc/30/86/03/563308603.db2.gz OWTWOMIIZRFIMH-LBPRGKRZSA-N 1 0 386.277 2.858 20 0 GFADRO NC(=O)[C@@H]1CCCN1CCC[NH2+]C1CC(c2ccc(Br)cc2)C1 ZINC000279744419 563308768 /nfs/dbraw/zinc/30/87/68/563308768.db2.gz PIUYFHQIIWGVBO-PREGVCBESA-N 1 0 380.330 2.625 20 0 GFADRO CS[C@@H]1CN(C(=O)N[C@H](c2nc(C)cs2)C(F)(F)F)C[C@@H]1[NH+](C)C ZINC000296928631 563309038 /nfs/dbraw/zinc/30/90/38/563309038.db2.gz ISLBXCJEFTZERF-HBNTYKKESA-N 1 0 382.477 2.742 20 0 GFADRO C[C@H](CO)[N@@H+](CC(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1)C[C@H](C)O ZINC000372612898 563312371 /nfs/dbraw/zinc/31/23/71/563312371.db2.gz MLROOUBLPUJAPA-IGCXYCKISA-N 1 0 389.323 2.721 20 0 GFADRO CS(=O)(=O)c1ccc(C(=O)NC[C@@H]2CCCN2Cc2ccccc2)s1 ZINC000421472687 563312680 /nfs/dbraw/zinc/31/26/80/563312680.db2.gz OHJCQYFDDUEUGI-HNNXBMFYSA-N 1 0 378.519 2.546 20 0 GFADRO COc1ccc(Br)cc1CNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000297035525 563313654 /nfs/dbraw/zinc/31/36/54/563313654.db2.gz MHQJKDACBCLUGH-GOOCMWNKSA-N 1 0 382.302 2.882 20 0 GFADRO C[NH+](C)C1CCC(NC(=O)C(C)(C)S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000421680732 563318827 /nfs/dbraw/zinc/31/88/27/563318827.db2.gz TZWWMXVDYYBNOC-UHFFFAOYSA-N 1 0 386.945 2.881 20 0 GFADRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)C1(c2ccc(I)cc2)CC1 ZINC000421709232 563319572 /nfs/dbraw/zinc/31/95/72/563319572.db2.gz DFIBDNWVLAICIU-OAHLLOKOSA-N 1 0 398.288 2.875 20 0 GFADRO Cc1c(Cl)cncc1NC(=O)C(=O)N(CC[NH+](C)C)Cc1cccs1 ZINC000297193803 563319540 /nfs/dbraw/zinc/31/95/40/563319540.db2.gz ATPSNXYQHZJHFD-UHFFFAOYSA-N 1 0 380.901 2.634 20 0 GFADRO C[C@@H]1CCN(C(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)CC[S@@]1=O ZINC000297232888 563320790 /nfs/dbraw/zinc/32/07/90/563320790.db2.gz NIHJMAPQXZNKJU-TWKFVSLJSA-N 1 0 383.583 2.513 20 0 GFADRO C[C@H]([NH2+]C[C@@H]1CCCC[C@H]1O)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000280101327 563322517 /nfs/dbraw/zinc/32/25/17/563322517.db2.gz NBJQCGUKUSAOKY-PKFCDNJMSA-N 1 0 381.325 2.843 20 0 GFADRO COc1cc(Cl)ccc1[C@@H](C)[NH2+]C[C@@H](O)CS(=O)(=O)c1cccs1 ZINC000421832878 563322651 /nfs/dbraw/zinc/32/26/51/563322651.db2.gz IABUJRGJBTVASU-DGCLKSJQSA-N 1 0 389.926 2.896 20 0 GFADRO C[C@H]([NH2+]CCCn1ccnc1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000280156286 563325051 /nfs/dbraw/zinc/32/50/51/563325051.db2.gz QLFWQHLUSJUWFJ-JTQLQIEISA-N 1 0 377.297 2.578 20 0 GFADRO Cc1ccc(-n2nc(Br)cc2C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)cc1 ZINC000373045312 563327109 /nfs/dbraw/zinc/32/71/09/563327109.db2.gz XKUUVRVQFWUVCB-DZGCQCFKSA-N 1 0 389.297 2.767 20 0 GFADRO C[NH+](C)CCn1nccc1NC(=O)NCc1cc(F)ccc1Br ZINC000297492075 563327742 /nfs/dbraw/zinc/32/77/42/563327742.db2.gz SSVJLBJYWAKDSC-UHFFFAOYSA-N 1 0 384.253 2.668 20 0 GFADRO CC(=O)N[C@H](CC(=O)N(C)C[C@@H]1CCC[N@@H+]1C)c1ccc(Br)cc1 ZINC000422013306 563327848 /nfs/dbraw/zinc/32/78/48/563327848.db2.gz CUCRGQYRAJCVKA-DLBZAZTESA-N 1 0 396.329 2.569 20 0 GFADRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)[C@@H]1CCN(c2cc(Cl)ccc2Cl)C1=O ZINC000422018681 563328708 /nfs/dbraw/zinc/32/87/08/563328708.db2.gz JIMGPEPGDZDOEV-KBPBESRZSA-N 1 0 384.307 2.899 20 0 GFADRO C[NH+]1CCC(n2ccc(NCc3cc4c(c(Br)c3)OCO4)n2)CC1 ZINC000373265854 563333381 /nfs/dbraw/zinc/33/33/81/563333381.db2.gz WGWFXGZCIJQINY-UHFFFAOYSA-N 1 0 393.285 3.253 20 0 GFADRO O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cnnn1-c1c(Cl)cccc1Cl ZINC000373552106 563342331 /nfs/dbraw/zinc/34/23/31/563342331.db2.gz NRPLHCXHCNXEQP-NWDGAFQWSA-N 1 0 380.279 2.931 20 0 GFADRO CC(C)(CC[NH3+])NS(=O)(=O)c1ccc(Br)c(C(F)(F)F)c1 ZINC000422554417 563342686 /nfs/dbraw/zinc/34/26/86/563342686.db2.gz MLBJHRIIPAQOSC-UHFFFAOYSA-N 1 0 389.237 2.874 20 0 GFADRO Cc1cc(Br)c(S(=O)(=O)N2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)s1 ZINC000422551925 563342802 /nfs/dbraw/zinc/34/28/02/563342802.db2.gz GBYSEUVGFBGKLY-YWVKMMECSA-N 1 0 381.361 2.813 20 0 GFADRO CCN(C(=O)C[NH2+][C@@H](c1ccc(Cl)cc1)C(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000298102513 563344854 /nfs/dbraw/zinc/34/48/54/563344854.db2.gz RMDPFYAVAJCERM-FUHWJXTLSA-N 1 0 386.945 2.662 20 0 GFADRO COc1ccc(Br)cc1CC(=O)N1c2ccccc2C[C@H]1C[NH3+] ZINC000422627595 563345099 /nfs/dbraw/zinc/34/50/99/563345099.db2.gz PISKPSDMHOCIKR-HNNXBMFYSA-N 1 0 375.266 2.917 20 0 GFADRO C[NH+]1CCC(NC(=O)COc2ccc(Br)cc2)(C(F)(F)F)CC1 ZINC000373664107 563346012 /nfs/dbraw/zinc/34/60/12/563346012.db2.gz ABUBTWCPKGATMH-UHFFFAOYSA-N 1 0 395.219 2.971 20 0 GFADRO CCN(CC)S(=O)(=O)c1cc(NC(=O)[C@H]2C[C@@H](C)CC[NH2+]2)ccc1Cl ZINC000422922966 563350537 /nfs/dbraw/zinc/35/05/37/563350537.db2.gz UUWKGSOPEFRRGR-SWLSCSKDSA-N 1 0 387.933 2.697 20 0 GFADRO C[C@@H]1CC[NH2+][C@H](C(=O)N2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)C1 ZINC000422964411 563352444 /nfs/dbraw/zinc/35/24/44/563352444.db2.gz LMQQUNURBHLQJF-WBMJQRKESA-N 1 0 384.307 2.666 20 0 GFADRO C[C@@H](NCc1ccc(Br)cc1N1CCOCC1)c1c[nH+]ccc1N ZINC000422995445 563352650 /nfs/dbraw/zinc/35/26/50/563352650.db2.gz YAWZPKNJSOACRC-CYBMUJFWSA-N 1 0 391.313 2.944 20 0 GFADRO C[C@@H]([NH2+]CCc1ccc(O)cc1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000280768225 563353139 /nfs/dbraw/zinc/35/31/39/563353139.db2.gz RDHVSZUEQHAQAQ-LLVKDONJSA-N 1 0 399.310 2.695 20 0 GFADRO Cc1nc(NC(=O)C(C)(C)[C@@H]([NH3+])c2ccccc2)sc1SCC(N)=O ZINC000423024768 563353366 /nfs/dbraw/zinc/35/33/66/563353366.db2.gz MNLCPUULQJTMLK-ZDUSSCGKSA-N 1 0 378.523 2.694 20 0 GFADRO C[C@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)[N@@H+]1CC[C@@](C)(C(N)=O)C1 ZINC000280788959 563354630 /nfs/dbraw/zinc/35/46/30/563354630.db2.gz QVLALBFWZJTGOG-RFAUZJTJSA-N 1 0 377.794 2.883 20 0 GFADRO COc1ccc([C@@H](NCCn2cc(Br)cn2)[C@H]2CCC[NH2+]2)cc1 ZINC000423104164 563355205 /nfs/dbraw/zinc/35/52/05/563355205.db2.gz GUKOXDWELPELSX-IAGOWNOFSA-N 1 0 379.302 2.737 20 0 GFADRO [NH3+][C@@H]1CCCCC[C@@H]1NCCNS(=O)(=O)c1cccc(Cl)c1Cl ZINC000423097957 563355494 /nfs/dbraw/zinc/35/54/94/563355494.db2.gz BTDDRUCGHMPYKV-OLZOCXBDSA-N 1 0 380.341 2.521 20 0 GFADRO C[C@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000423110732 563355932 /nfs/dbraw/zinc/35/59/32/563355932.db2.gz ILJKODHVJUPLHT-PVXIVEMSSA-N 1 0 384.307 2.723 20 0 GFADRO C[C@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)C(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000423116952 563355956 /nfs/dbraw/zinc/35/59/56/563355956.db2.gz SFFMCCOYUOBUBC-SEDUGSJDSA-N 1 0 386.323 2.956 20 0 GFADRO C[C@@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)C(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000423116951 563356116 /nfs/dbraw/zinc/35/61/16/563356116.db2.gz SFFMCCOYUOBUBC-FTLABTOESA-N 1 0 386.323 2.956 20 0 GFADRO COc1ccc(Br)cc1C[C@@H](CO)C[NH2+][C@H](C)c1cnccc1N ZINC000423163414 563358037 /nfs/dbraw/zinc/35/80/37/563358037.db2.gz RDDSFOQHFQRKGR-CHWSQXEVSA-N 1 0 394.313 2.767 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)N(C)C[C@@H](O)c2cccc(Br)c2)C[N@@H+]1C1CC1 ZINC000298534651 563358842 /nfs/dbraw/zinc/35/88/42/563358842.db2.gz CSFRIENJPANDSR-ISTRZQFTSA-N 1 0 396.329 2.749 20 0 GFADRO CC[NH2+]CCN[C@@H](c1nccn1CC)c1ccc(I)cc1 ZINC000423243401 563359200 /nfs/dbraw/zinc/35/92/00/563359200.db2.gz KHNAJBVYUQGDHN-OAHLLOKOSA-N 1 0 398.292 2.796 20 0 GFADRO [NH3+][C@H](CN[C@H]1CCS(=O)(=O)c2ccc(Br)cc21)c1ccccc1 ZINC000423249064 563359424 /nfs/dbraw/zinc/35/94/24/563359424.db2.gz SOYMKLHLKNMRAP-CVEARBPZSA-N 1 0 395.322 2.957 20 0 GFADRO CCn1ccnc1[C@H](N[C@@H]1CC[NH2+]C1)c1ccc(I)cc1 ZINC000423219077 563359428 /nfs/dbraw/zinc/35/94/28/563359428.db2.gz VUOHBQFTMYWLOZ-HUUCEWRRSA-N 1 0 396.276 2.549 20 0 GFADRO C[C@H](NC(=O)[C@@H]([NH3+])C1CCC1)c1nc(-c2ccc(Br)cc2)no1 ZINC000423296798 563359475 /nfs/dbraw/zinc/35/94/75/563359475.db2.gz ZWBMDWMYCVSDGJ-ZANVPECISA-N 1 0 379.258 2.804 20 0 GFADRO CC(C)[C@@H](C(=O)N1CCN(C(=O)c2cc3sccc3s2)CC1)[C@H](C)[NH3+] ZINC000423292485 563359516 /nfs/dbraw/zinc/35/95/16/563359516.db2.gz NEPUYPACYGKCQU-BLLLJJGKSA-N 1 0 379.551 2.867 20 0 GFADRO C[C@H](N[C@H](C[NH3+])C1CCCC1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000423510933 563361343 /nfs/dbraw/zinc/36/13/43/563361343.db2.gz SXLUGBQENQYSGL-LKFCYVNXSA-N 1 0 380.341 2.809 20 0 GFADRO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N1CCc2cc(Cl)cc(Cl)c2C1 ZINC000423482498 563361498 /nfs/dbraw/zinc/36/14/98/563361498.db2.gz RODHRMPTLCIPAX-MRXNPFEDSA-N 1 0 386.323 2.710 20 0 GFADRO C[C@@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH2+]C[C@H]1CNCCO1 ZINC000423571294 563362010 /nfs/dbraw/zinc/36/20/10/563362010.db2.gz NOVGUZOZSIODOK-CMPLNLGQSA-N 1 0 379.810 2.654 20 0 GFADRO [NH3+]C[C@H](N[C@@H]1CCS(=O)(=O)c2ccc(Br)cc21)C1CCCC1 ZINC000423512521 563362104 /nfs/dbraw/zinc/36/21/04/563362104.db2.gz UVGOUDKTXFFLKU-CABCVRRESA-N 1 0 387.343 2.775 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N(C)[C@@H](C)c2ccccc2Br)C1 ZINC000423564525 563362214 /nfs/dbraw/zinc/36/22/14/563362214.db2.gz OXNWLWGSHDFQFB-MELADBBJSA-N 1 0 396.329 2.554 20 0 GFADRO CC[C@@H](C)NC(=O)CC[NH2+][C@H](CC)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000281006696 563363622 /nfs/dbraw/zinc/36/36/22/563363622.db2.gz YFMFWVKDBONOSN-IUODEOHRSA-N 1 0 389.949 2.594 20 0 GFADRO C[C@H](O)C[N@@H+]1CCN(CC2=Cc3cc(Br)ccc3OC2)[C@@H](C)C1 ZINC000281061481 563364998 /nfs/dbraw/zinc/36/49/98/563364998.db2.gz RWSUXBMEPXHHCP-KBPBESRZSA-N 1 0 381.314 2.612 20 0 GFADRO Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@H]2[NH2+]CC2([S@](C)=O)CCC2)cc1 ZINC000281078442 563365697 /nfs/dbraw/zinc/36/56/97/563365697.db2.gz OUXJDUUKXBJCEY-GGUMNFRJSA-N 1 0 383.579 2.971 20 0 GFADRO O=C(NC1CCC(N2CC[NH2+]CC2)CC1)c1ccc(F)cc1Br ZINC000423960408 563365878 /nfs/dbraw/zinc/36/58/78/563365878.db2.gz YQCKCWGRDRSWKH-UHFFFAOYSA-N 1 0 384.293 2.534 20 0 GFADRO [NH3+]C[C@H](NC(=O)c1cnn(-c2cccc(Br)c2)c1)C1CCCC1 ZINC000423972676 563366264 /nfs/dbraw/zinc/36/62/64/563366264.db2.gz ZYQHPTNKFGCNGU-INIZCTEOSA-N 1 0 377.286 2.882 20 0 GFADRO CC(C)C[C@H](Cc1cccc(Br)c1)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000423990620 563366505 /nfs/dbraw/zinc/36/65/05/563366505.db2.gz KNBQTFLJQVTLDS-NVXWUHKLSA-N 1 0 383.330 2.759 20 0 GFADRO C[C@@H]1CCN(C(=O)c2cc(-c3ccc(Br)cc3)n[nH]2)C[C@@H]1C[NH3+] ZINC000424018246 563367316 /nfs/dbraw/zinc/36/73/16/563367316.db2.gz PXPULKGJDHZZIO-YPMHNXCESA-N 1 0 377.286 2.896 20 0 GFADRO C[NH2+]CCCN(C)C(=O)c1c(C)nn(Cc2cccc(Br)c2)c1C ZINC000424028168 563367937 /nfs/dbraw/zinc/36/79/37/563367937.db2.gz CPZCJURQIHYGPH-UHFFFAOYSA-N 1 0 393.329 2.992 20 0 GFADRO COc1ccccc1[C@@H]1CN(C(=O)c2cccc(Br)n2)CCN1 ZINC000374336134 563368322 /nfs/dbraw/zinc/36/83/22/563368322.db2.gz CGTHRVSXQGBTOE-AWEZNQCLSA-N 1 0 376.254 2.639 20 0 GFADRO CNC(=O)[C@@]1(C)CC[N@H+](Cc2nc(-c3cccc(Br)c3)c[nH]2)C1 ZINC000281197903 563369090 /nfs/dbraw/zinc/36/90/90/563369090.db2.gz SPXSJZBLYBBQAN-KRWDZBQOSA-N 1 0 377.286 2.797 20 0 GFADRO C[C@@H]1C[C@H](C)N(C(=O)c2ccc(I)c(F)c2)C[C@@H]1C[NH3+] ZINC000424075818 563369451 /nfs/dbraw/zinc/36/94/51/563369451.db2.gz PTYNRBKVXZLIDM-SCVCMEIPSA-N 1 0 390.240 2.876 20 0 GFADRO C[C@H](CNC(=O)N(C)C[C@@H](O)c1cccc(Br)c1)[N@H+](C)C1CC1 ZINC000298955504 563371544 /nfs/dbraw/zinc/37/15/44/563371544.db2.gz QCOHXZGUUZXOEQ-MLGOLLRUSA-N 1 0 384.318 2.607 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2C(=O)Cc1ccccc1Br ZINC000374420842 563372079 /nfs/dbraw/zinc/37/20/79/563372079.db2.gz MAKIUWRLNMHOAR-PVAVHDDUSA-N 1 0 381.314 2.702 20 0 GFADRO CCc1ccccc1[C@@H]([NH3+])CNC(=O)c1cnc(OC)c(Br)c1 ZINC000424198426 563372913 /nfs/dbraw/zinc/37/29/13/563372913.db2.gz PFSYONNKQIYSLN-HNNXBMFYSA-N 1 0 378.270 2.845 20 0 GFADRO C[C@@H]1CC2(CN1C(=O)COc1ccc(Br)cc1F)CC[NH2+]CC2 ZINC000424226612 563374306 /nfs/dbraw/zinc/37/43/06/563374306.db2.gz RXPBMFUPQJEDFQ-GFCCVEGCSA-N 1 0 385.277 2.958 20 0 GFADRO C[S@@](=O)C1(CNC(=O)NCC2CC[NH+](Cc3cccs3)CC2)CCC1 ZINC000281350327 563374624 /nfs/dbraw/zinc/37/46/24/563374624.db2.gz DNBJFRMTQDZEKJ-RUZDIDTESA-N 1 0 383.583 2.561 20 0 GFADRO O=C1CCc2cc(Cl)c(S(=O)(=O)N3CC[C@@H](C[NH+]4CCCC4)C3)cc21 ZINC000374543620 563375249 /nfs/dbraw/zinc/37/52/49/563375249.db2.gz NFTCLJPCEDDGGX-ZDUSSCGKSA-N 1 0 382.913 2.575 20 0 GFADRO O=S(=O)(c1ccc2ccccc2c1Br)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000424363053 563376444 /nfs/dbraw/zinc/37/64/44/563376444.db2.gz NPOWDPYDPVSPDJ-DZGCQCFKSA-N 1 0 395.322 2.975 20 0 GFADRO COc1cc(CN[C@@H]2CCCC[C@H]2[NH3+])cc(I)c1OC ZINC000424364671 563376535 /nfs/dbraw/zinc/37/65/35/563376535.db2.gz DWTXEOUJGMHYKS-CHWSQXEVSA-N 1 0 390.265 2.668 20 0 GFADRO C[C@H]1CC2(CN1S(=O)(=O)Cc1ccccc1C(F)(F)F)CC[NH2+]CC2 ZINC000424392277 563377800 /nfs/dbraw/zinc/37/78/00/563377800.db2.gz OVGQYEJHLSETLA-ZDUSSCGKSA-N 1 0 376.444 2.999 20 0 GFADRO O=C(Nc1ncc(C(F)(F)F)s1)N1CCCC[C@H]1CN1CCOCC1 ZINC000374670801 563379577 /nfs/dbraw/zinc/37/95/77/563379577.db2.gz KHPMCJVGABEMAC-NSHDSACASA-N 1 0 378.420 2.881 20 0 GFADRO C[NH2+]C[C@@H](C)CNC(=O)NCc1cc(Cl)cc(I)c1 ZINC000424476178 563380166 /nfs/dbraw/zinc/38/01/66/563380166.db2.gz KJUODFMPEJQDIV-SECBINFHSA-N 1 0 395.672 2.599 20 0 GFADRO Cn1ccnc1[C@](O)(C[NH2+]Cc1ccc(Br)s1)C(F)(F)F ZINC000299309459 563381546 /nfs/dbraw/zinc/38/15/46/563381546.db2.gz DQKHNHOVWABRGB-LLVKDONJSA-N 1 0 384.221 2.784 20 0 GFADRO COc1ncc(C(=O)NCc2cccc(C[NH+](C)C)c2)cc1Br ZINC000424555781 563381673 /nfs/dbraw/zinc/38/16/73/563381673.db2.gz FUKHMMOZYXBCTG-UHFFFAOYSA-N 1 0 378.270 2.844 20 0 GFADRO O=C(Cc1noc2ccc(Br)cc21)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000424597396 563383206 /nfs/dbraw/zinc/38/32/06/563383206.db2.gz HPIJABGPLSZHII-STQMWFEESA-N 1 0 378.270 2.876 20 0 GFADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)c2cc(Br)c(C)s2)CC1 ZINC000424655456 563385820 /nfs/dbraw/zinc/38/58/20/563385820.db2.gz KEQKBDPFRFQUKK-LBPRGKRZSA-N 1 0 388.375 2.822 20 0 GFADRO Cc1oc(Br)cc1C(=O)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000424688272 563386890 /nfs/dbraw/zinc/38/68/90/563386890.db2.gz CPODEYLVVQMPLJ-SFHVURJKSA-N 1 0 393.281 2.717 20 0 GFADRO COc1ncc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1Br ZINC000424729292 563389224 /nfs/dbraw/zinc/38/92/24/563389224.db2.gz COVOFLJGDNHMEM-BLLLJJGKSA-N 1 0 394.313 2.942 20 0 GFADRO Cc1cccc(NC(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)c1Br ZINC000281922862 563390468 /nfs/dbraw/zinc/39/04/68/563390468.db2.gz SSWBQTIASLANEV-UHFFFAOYSA-N 1 0 383.334 2.905 20 0 GFADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)Nc1cc(F)c(Br)cc1Cl ZINC000281943964 563390908 /nfs/dbraw/zinc/39/09/08/563390908.db2.gz LQJAYBZCHQFGHF-SECBINFHSA-N 1 0 393.688 2.609 20 0 GFADRO C[S@](=O)C1(CNC(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)CCC1 ZINC000281947446 563391137 /nfs/dbraw/zinc/39/11/37/563391137.db2.gz XTEAQOCYSPAHTR-MQNRADLISA-N 1 0 383.583 2.561 20 0 GFADRO [NH3+]CC[C@H]1CCCN(C(=O)Cc2csc(NC(=O)c3cccs3)n2)C1 ZINC000281951553 563391934 /nfs/dbraw/zinc/39/19/34/563391934.db2.gz MBIZZYLQIPQISI-GFCCVEGCSA-N 1 0 378.523 2.587 20 0 GFADRO Cc1ccc(Br)c(NC(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000281986562 563393006 /nfs/dbraw/zinc/39/30/06/563393006.db2.gz XEKKOOWVGLAEJZ-UHFFFAOYSA-N 1 0 383.334 2.905 20 0 GFADRO CC(C)(C)OC(=O)Nc1ncc(C[NH2+]C(C)(C)CCS(C)(=O)=O)s1 ZINC000282094324 563397699 /nfs/dbraw/zinc/39/76/99/563397699.db2.gz SBWKYUXNQUAYCH-UHFFFAOYSA-N 1 0 377.532 2.793 20 0 GFADRO Cn1ncc(NC[C@H](c2ccccc2)[NH+]2CCCC2)c(Br)c1=O ZINC000301276291 563399375 /nfs/dbraw/zinc/39/93/75/563399375.db2.gz ZHJSFHLYHKNHQJ-OAHLLOKOSA-N 1 0 377.286 2.792 20 0 GFADRO Cc1nc(CO[C@@H]2CCN([C@H](C)C(=O)NCCc3cccs3)C2)cs1 ZINC000375392593 563402795 /nfs/dbraw/zinc/40/27/95/563402795.db2.gz LPTACHMHOZQTRM-CZUORRHYSA-N 1 0 379.551 2.851 20 0 GFADRO C[C@@H](CNc1ccc(S(N)(=O)=O)c(C(F)(F)F)c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000301433942 563403368 /nfs/dbraw/zinc/40/33/68/563403368.db2.gz LLKQTIDRNMJKSV-NEPJUHHUSA-N 1 0 379.448 2.885 20 0 GFADRO CN(CC[NH+](C)C)c1ccc(Br)cc1NC(=O)[C@H](O)C1CCC1 ZINC000425096792 563404288 /nfs/dbraw/zinc/40/42/88/563404288.db2.gz GBFNXKRQZUXCPX-MRXNPFEDSA-N 1 0 384.318 2.546 20 0 GFADRO CN(CC[NH+](C)C)c1ccc(Br)cc1NC(=O)c1cnns1 ZINC000425098605 563404812 /nfs/dbraw/zinc/40/48/12/563404812.db2.gz LZUKLRXAUWWFMU-UHFFFAOYSA-N 1 0 384.303 2.551 20 0 GFADRO C[C@@H](CO)[N@@H+]1CCCN(CC(=O)N[C@@H](C)c2ccc(Cl)c(Cl)c2)CC1 ZINC000375481204 563406434 /nfs/dbraw/zinc/40/64/34/563406434.db2.gz DUPRBIXUGUWEDQ-KBPBESRZSA-N 1 0 388.339 2.559 20 0 GFADRO C[C@H]1C[NH+](CCC2CCN(c3ncc(Br)cn3)CC2)C[C@H](C)O1 ZINC000301580436 563407643 /nfs/dbraw/zinc/40/76/43/563407643.db2.gz UNIMHDQYLJGDSH-KBPBESRZSA-N 1 0 383.334 2.955 20 0 GFADRO O=S(=O)(c1c(F)c(F)c(F)c(F)c1F)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000375609399 563411637 /nfs/dbraw/zinc/41/16/37/563411637.db2.gz ACWHGUUKBZSGLO-VIFPVBQESA-N 1 0 384.370 2.535 20 0 GFADRO CNC(=O)[C@H]1CCCN(c2cc[nH+]c3cc(OC)c(Br)cc32)C1 ZINC000425225530 563412603 /nfs/dbraw/zinc/41/26/03/563412603.db2.gz LIBSFJDJYQIEIM-NSHDSACASA-N 1 0 378.270 2.968 20 0 GFADRO O=C(CC[N@@H+]1CCO[C@]2(CCCOC2)C1)Nc1ccc(Br)cc1 ZINC000375630273 563412643 /nfs/dbraw/zinc/41/26/43/563412643.db2.gz LHTKVVPUSYPHBK-QGZVFWFLSA-N 1 0 383.286 2.659 20 0 GFADRO O=C(C1CC[NH+](C2CC2)CC1)N1CC(=O)Nc2cc(Br)ccc21 ZINC000375731957 563416050 /nfs/dbraw/zinc/41/60/50/563416050.db2.gz OHAPZRWYYJDWRA-UHFFFAOYSA-N 1 0 378.270 2.609 20 0 GFADRO COCC(C)(C)[NH+]1CCN(Cc2cn3ccc(Br)cc3n2)CC1 ZINC000425349002 563418542 /nfs/dbraw/zinc/41/85/42/563418542.db2.gz KAPJUOMVCUGWJD-UHFFFAOYSA-N 1 0 381.318 2.639 20 0 GFADRO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C(=O)N1CCC[C@H]2C[N@H+](C)C[C@H]21 ZINC000425390211 563420507 /nfs/dbraw/zinc/42/05/07/563420507.db2.gz QRNNWTHCYDYGLM-XJKSGUPXSA-N 1 0 384.307 2.504 20 0 GFADRO O=C(NCc1ccsc1Br)N1CC[NH+](C2CCOCC2)CC1 ZINC000282735295 563422661 /nfs/dbraw/zinc/42/26/61/563422661.db2.gz LLFLRBPAOGZSLW-UHFFFAOYSA-N 1 0 388.331 2.517 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCC(=O)NC12CCC2)C(=O)Nc1ccc(Br)cc1 ZINC000282769201 563424105 /nfs/dbraw/zinc/42/41/05/563424105.db2.gz LOZPWGITMUTFRU-SMDDNHRTSA-N 1 0 380.286 2.567 20 0 GFADRO CC[C@@H](C(=O)OC)N1C[C@H](C(=O)OC)[C@@H](c2ccc(Br)cc2)C1 ZINC000425523460 563426196 /nfs/dbraw/zinc/42/61/96/563426196.db2.gz YTANGPIPSBNKAY-ILXRZTDVSA-N 1 0 384.270 2.589 20 0 GFADRO CC[NH+]1CCN([C@@H]2CCN(c3nc(C(Cl)(Cl)Cl)ns3)C2)CC1 ZINC000376216340 563433720 /nfs/dbraw/zinc/43/37/20/563433720.db2.gz ABBLEEIBQATODO-SNVBAGLBSA-N 1 0 384.764 2.581 20 0 GFADRO C[C@@H]1CN(c2ncc(I)cn2)CC[N@@H+]1Cc1ccccc1 ZINC000307450421 563434072 /nfs/dbraw/zinc/43/40/72/563434072.db2.gz OIWUXKUXCJTJJT-CYBMUJFWSA-N 1 0 394.260 2.792 20 0 GFADRO CCC[N@@H+]1CCCN(C(=O)NCCCCn2cc(Br)cn2)CC1 ZINC000376245471 563434592 /nfs/dbraw/zinc/43/45/92/563434592.db2.gz RKAKDZLMQXTJQK-UHFFFAOYSA-N 1 0 386.338 2.553 20 0 GFADRO O=S(=O)(c1c(Cl)cccc1Br)N1CC[C@@H](N2CC=CC2)C1 ZINC000283129655 563435764 /nfs/dbraw/zinc/43/57/64/563435764.db2.gz ZRYHLYUVXQZWLZ-LLVKDONJSA-N 1 0 391.718 2.737 20 0 GFADRO O=c1cc(CN2CC[NH2+]C[C@@H]2c2ccccc2)nc2ccc(Br)cn12 ZINC000313338000 563437683 /nfs/dbraw/zinc/43/76/83/563437683.db2.gz DDXPWROIQYGISU-QGZVFWFLSA-N 1 0 399.292 2.604 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)c2ccc(Br)cc2C(F)(F)F)CCCO1 ZINC000313339450 563437693 /nfs/dbraw/zinc/43/76/93/563437693.db2.gz LLHKNHKMFLKDKP-JTQLQIEISA-N 1 0 381.192 2.658 20 0 GFADRO CC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCSc3ccc(Cl)cc32)CC1 ZINC000283229689 563439160 /nfs/dbraw/zinc/43/91/60/563439160.db2.gz AHJHGRCMWCKIQU-OAHLLOKOSA-N 1 0 381.929 2.594 20 0 GFADRO Brc1ccc2nc(CNCc3cc(C4CC[NH2+]CC4)no3)cn2c1 ZINC000425892489 563440199 /nfs/dbraw/zinc/44/01/99/563440199.db2.gz BBJJPYZUZWWIKF-UHFFFAOYSA-N 1 0 390.285 2.842 20 0 GFADRO C[NH+]1CCC2(CCCN([C@@H](C(N)=O)c3ccc(Br)cc3)C2)CC1 ZINC000376382946 563440658 /nfs/dbraw/zinc/44/06/58/563440658.db2.gz FVTLMDSWDHUCJK-MRXNPFEDSA-N 1 0 380.330 2.783 20 0 GFADRO CNS(=O)(=O)CCC[NH+]1CCC(c2ccc(Br)c(C)c2)CC1 ZINC000425921568 563440988 /nfs/dbraw/zinc/44/09/88/563440988.db2.gz QGJJMDXUHILVGH-UHFFFAOYSA-N 1 0 389.359 2.876 20 0 GFADRO COC(=O)[C@](C)(C[NH2+]Cc1c(Br)cnn1C)c1ccc(F)cc1 ZINC000425999523 563441587 /nfs/dbraw/zinc/44/15/87/563441587.db2.gz PJFXCJWTMBFHKO-MRXNPFEDSA-N 1 0 384.249 2.542 20 0 GFADRO CCOCCCNC(=O)[C@H](C)[NH2+][C@@H]1CCOc2c(Br)cccc21 ZINC000283335851 563442041 /nfs/dbraw/zinc/44/20/41/563442041.db2.gz AQMXEUVZHKLZKW-SWLSCSKDSA-N 1 0 385.302 2.794 20 0 GFADRO O=S(=O)(c1ccc(Br)c(F)c1)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000318728341 563443739 /nfs/dbraw/zinc/44/37/39/563443739.db2.gz LWOAHGGTAFPXMO-NHYWBVRUSA-N 1 0 391.306 2.741 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)c1cc(=O)[nH]c2c(Br)cccc12)C1CC1 ZINC000426171833 563445667 /nfs/dbraw/zinc/44/56/67/563445667.db2.gz KEUIMUXNHVAIDR-AWEZNQCLSA-N 1 0 378.270 2.773 20 0 GFADRO CC(C)[C@H]([NH3+])c1cn(Cc2nc(-c3cccc(Br)c3)no2)nn1 ZINC000322130260 563449254 /nfs/dbraw/zinc/44/92/54/563449254.db2.gz APRMVWXHQJOQHK-AWEZNQCLSA-N 1 0 377.246 2.795 20 0 GFADRO C[C@@H]([NH2+]C[C@H]1CCn2ncc(C(N)=O)c2C1)c1ccc(Br)cc1 ZINC000376655177 563449394 /nfs/dbraw/zinc/44/93/94/563449394.db2.gz FIXODFIDXJTDOT-NEPJUHHUSA-N 1 0 377.286 2.658 20 0 GFADRO CCc1cccc(OC[C@H](O)C[NH2+]CCCn2cc(Br)cn2)c1 ZINC000323927670 563451471 /nfs/dbraw/zinc/45/14/71/563451471.db2.gz OTXFVKKETVPMIH-MRXNPFEDSA-N 1 0 382.302 2.628 20 0 GFADRO O=c1cc(CN2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)nc2ccc(Br)cn12 ZINC000324817567 563453032 /nfs/dbraw/zinc/45/30/32/563453032.db2.gz VDUIETRNWLTABD-JKSUJKDBSA-N 1 0 391.313 2.564 20 0 GFADRO O=S1(=O)CC[C@@H]([NH2+]C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)C1 ZINC000376800026 563454795 /nfs/dbraw/zinc/45/47/95/563454795.db2.gz WZGNGSWMGWXUSO-CQSZACIVSA-N 1 0 377.337 2.735 20 0 GFADRO COc1ccc(Br)cc1C(=O)Nc1ccc(N2CC[NH2+]CC2)cn1 ZINC000326535617 563455121 /nfs/dbraw/zinc/45/51/21/563455121.db2.gz IWRDBBMJSSZXKK-UHFFFAOYSA-N 1 0 391.269 2.515 20 0 GFADRO CN(C(=O)C[C@@H]1CSCC[NH2+]1)[C@@H](c1ccc(Cl)cc1)c1cnccn1 ZINC000376815487 563455603 /nfs/dbraw/zinc/45/56/03/563455603.db2.gz IVDVWNLIXGCBKF-QAPCUYQASA-N 1 0 376.913 2.773 20 0 GFADRO O=C(C[C@@H]1CCC[NH2+]CC1)NCc1nnc(-c2ccc(Br)cc2)[nH]1 ZINC000376895338 563457199 /nfs/dbraw/zinc/45/71/99/563457199.db2.gz KNLUVDPGRZAYBS-GFCCVEGCSA-N 1 0 392.301 2.630 20 0 GFADRO CS[C@@H]1CN(S(=O)(=O)c2cccc(-c3nc(C)cs3)c2)C[C@@H]1[NH+](C)C ZINC000328672129 563462610 /nfs/dbraw/zinc/46/26/10/563462610.db2.gz NWZIEOLNYYHNDG-JKSUJKDBSA-N 1 0 397.591 2.785 20 0 GFADRO [NH3+]C[C@H]1CCN(C(=O)[C@@H]2CCCN2c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000377126348 563464186 /nfs/dbraw/zinc/46/41/86/563464186.db2.gz KFBJBPOXTMVGQM-MFKMUULPSA-N 1 0 376.810 2.530 20 0 GFADRO O=S(=O)(CCc1cccc(Cl)c1)NCc1ccnc(-n2ccnc2)c1 ZINC000377150532 563464482 /nfs/dbraw/zinc/46/44/82/563464482.db2.gz AJNHYAYULGCFTE-UHFFFAOYSA-N 1 0 376.869 2.583 20 0 GFADRO O=C(CN1CCOC2(CCOCC2)CC1)Nc1ccc(Br)cc1 ZINC000377276872 563469337 /nfs/dbraw/zinc/46/93/37/563469337.db2.gz IZXLJULNYIMCOL-UHFFFAOYSA-N 1 0 383.286 2.659 20 0 GFADRO CC[C@H](C(=O)N(CCO)Cc1cc(Br)cs1)[NH+](CC)CC ZINC000427547179 563469591 /nfs/dbraw/zinc/46/95/91/563469591.db2.gz QCSJXDCESDFNSR-CQSZACIVSA-N 1 0 377.348 2.952 20 0 GFADRO O=C(CC[N@@H+]1CCC[C@@H](N2CCNC2=O)C1)Nc1cc(Cl)ccc1Cl ZINC000377359517 563472186 /nfs/dbraw/zinc/47/21/86/563472186.db2.gz TZVLSONXXFZQLJ-CYBMUJFWSA-N 1 0 385.295 2.812 20 0 GFADRO COC(=O)c1cn(CC[NH2+][C@H]2CCSc3ccc(Br)cc32)nn1 ZINC000284390577 563472955 /nfs/dbraw/zinc/47/29/55/563472955.db2.gz PCRLXRBXSHKHJG-LBPRGKRZSA-N 1 0 397.298 2.654 20 0 GFADRO Cc1ccccc1C[C@H]([NH2+]C[C@@H](O)CS(=O)(=O)c1cccs1)C1CC1 ZINC000284438762 563474552 /nfs/dbraw/zinc/47/45/52/563474552.db2.gz RTYKSQAZYXIBJK-MSOLQXFVSA-N 1 0 379.547 2.802 20 0 GFADRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2S(=O)(=O)c2cc(Br)ccc2F)C1 ZINC000427802666 563476328 /nfs/dbraw/zinc/47/63/28/563476328.db2.gz AFHJPSCOFCSKPR-SMDDNHRTSA-N 1 0 391.306 2.693 20 0 GFADRO O=S1(=O)CC[C@]2(C1)C[C@H]([NH2+]Cc1cnc(-c3ccsc3)s1)CCO2 ZINC000329297154 563478160 /nfs/dbraw/zinc/47/81/60/563478160.db2.gz TVLGNACGJICJFL-CZUORRHYSA-N 1 0 384.548 2.698 20 0 GFADRO C[N@@H+]1CCC[C@H]2CN(Cc3ncc(I)s3)CC[C@@H]21 ZINC000377547302 563478268 /nfs/dbraw/zinc/47/82/68/563478268.db2.gz CILSQKLEDRRRNU-QWRGUYRKSA-N 1 0 377.295 2.664 20 0 GFADRO CC[NH2+]CC1CCN(S(=O)(=O)c2cc(Cl)cc(C(=O)OCC)c2)CC1 ZINC000427953605 563478941 /nfs/dbraw/zinc/47/89/41/563478941.db2.gz YTPLFOYWMUCENB-UHFFFAOYSA-N 1 0 388.917 2.527 20 0 GFADRO COc1cc(C)c(Br)cc1S(=O)(=O)N[C@H](C)CCCC[NH3+] ZINC000427955054 563479007 /nfs/dbraw/zinc/47/90/07/563479007.db2.gz CSMPHJRPNQFGQY-LLVKDONJSA-N 1 0 379.320 2.562 20 0 GFADRO Cn1ccnc1Sc1ncc(C(=O)N2CC[NH+]3CCC2CC3)cc1Cl ZINC000329348151 563479066 /nfs/dbraw/zinc/47/90/66/563479066.db2.gz SCFMQDRBEFDVBN-UHFFFAOYSA-N 1 0 377.901 2.540 20 0 GFADRO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N[C@@H](C)CCCC[NH3+] ZINC000427934467 563479304 /nfs/dbraw/zinc/47/93/04/563479304.db2.gz VEGFHCNIDNXEBX-STQMWFEESA-N 1 0 378.922 2.550 20 0 GFADRO O=C1NC(=O)N2CCN(Cc3ncc(-c4ccc(Br)cc4)o3)C[C@@H]12 ZINC000329425833 563479721 /nfs/dbraw/zinc/47/97/21/563479721.db2.gz IPPNVPWWBAFGMZ-LBPRGKRZSA-N 1 0 391.225 2.680 20 0 GFADRO CCC[NH+]1CCN(C2CCN(S(=O)(=O)c3cc(C)sc3C)CC2)CC1 ZINC000377594246 563479856 /nfs/dbraw/zinc/47/98/56/563479856.db2.gz WKNLATXXVOAXJL-UHFFFAOYSA-N 1 0 385.599 2.546 20 0 GFADRO OC[C@@H]1C[C@@H](O)C[N@@H+]1[C@@H](Cc1ccccn1)c1ccc(Br)cc1 ZINC000377614621 563480689 /nfs/dbraw/zinc/48/06/89/563480689.db2.gz JFSCYUJICQYQRS-KSZLIROESA-N 1 0 377.282 2.555 20 0 GFADRO COc1cc(Br)ccc1CN1CCC[C@H](C[NH+]2CCN(C)CC2)C1 ZINC000377626741 563481881 /nfs/dbraw/zinc/48/18/81/563481881.db2.gz OFMZGTOWWUCSRF-MRXNPFEDSA-N 1 0 396.373 2.917 20 0 GFADRO C[C@]1(O)CCOC[C@@H]1[C@@H]1CCC[N@@H+]1Cc1nc2ccccn2c1Br ZINC000377704129 563483193 /nfs/dbraw/zinc/48/31/93/563483193.db2.gz VYHBZOFWXNDRBN-XUWXXGDYSA-N 1 0 394.313 2.849 20 0 GFADRO COc1ccc(Br)cc1NC(=O)N(C)C[C@@H]1C[C@H](OC)C[N@H+]1C ZINC000284786620 563490519 /nfs/dbraw/zinc/49/05/19/563490519.db2.gz KZYVKWAWZNUPKX-STQMWFEESA-N 1 0 386.290 2.641 20 0 GFADRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NS(=O)(=O)c1ccc(Cl)c(Br)c1 ZINC000428414935 563491466 /nfs/dbraw/zinc/49/14/66/563491466.db2.gz SGCNJGWTHTXICZ-YMTOWFKASA-N 1 0 393.734 2.864 20 0 GFADRO O=S1(=O)CCCN1C1CCC([NH2+]Cc2cc(Br)cs2)CC1 ZINC000377949283 563491677 /nfs/dbraw/zinc/49/16/77/563491677.db2.gz IPGAJWUNFGIGND-UHFFFAOYSA-N 1 0 393.372 2.947 20 0 GFADRO O=S1(=O)CCCN1C1CCC([NH2+]Cc2csc(Br)c2)CC1 ZINC000377950789 563491919 /nfs/dbraw/zinc/49/19/19/563491919.db2.gz KHVMKYUUSPRHCM-UHFFFAOYSA-N 1 0 393.372 2.947 20 0 GFADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000428465787 563493364 /nfs/dbraw/zinc/49/33/64/563493364.db2.gz XSYKRRUEVKJCPD-ODVANORSSA-N 1 0 381.314 2.937 20 0 GFADRO C[NH+]1CCC(N(Cc2ccccc2Br)C(=O)[C@@H]2CCOC2)CC1 ZINC000378068469 563495358 /nfs/dbraw/zinc/49/53/58/563495358.db2.gz GGJGNALTOWIBIO-OAHLLOKOSA-N 1 0 381.314 2.908 20 0 GFADRO Cc1cc(Br)cn2cc(C[NH2+][C@@H](C)C(C)(C)n3cncn3)nc12 ZINC000284977983 563497626 /nfs/dbraw/zinc/49/76/26/563497626.db2.gz GASSVLNTENYYFE-LBPRGKRZSA-N 1 0 377.290 2.910 20 0 GFADRO [NH3+]C1(C(=O)NCC(=O)Nc2cc(Cl)ccc2Cl)Cc2ccccc2C1 ZINC000378206545 563498337 /nfs/dbraw/zinc/49/83/37/563498337.db2.gz DAFCYJLLURLZFP-UHFFFAOYSA-N 1 0 378.259 2.544 20 0 GFADRO O=C(NC1CC[NH2+]CC1)c1cccn1-c1cccc(I)c1 ZINC000428759373 563501279 /nfs/dbraw/zinc/50/12/79/563501279.db2.gz OXMHUQJKKFQHTC-UHFFFAOYSA-N 1 0 395.244 2.564 20 0 GFADRO C[C@H](CC[NH+](C)C)NC(=O)Nc1ccc(F)cc1I ZINC000428777706 563501630 /nfs/dbraw/zinc/50/16/30/563501630.db2.gz JORZJZMFHNSANT-SECBINFHSA-N 1 0 379.217 2.892 20 0 GFADRO C[C@H](Cc1ccc(Br)cc1)C(=O)N1CCCN(CC[NH+](C)C)CC1 ZINC000378328616 563502774 /nfs/dbraw/zinc/50/27/74/563502774.db2.gz KOGHXDNSGGPNRR-MRXNPFEDSA-N 1 0 396.373 2.724 20 0 GFADRO C[C@@H]([NH2+][C@H](CO)c1ccc(Br)cc1)C(=O)NCc1ccc(F)cc1 ZINC000428816150 563502876 /nfs/dbraw/zinc/50/28/76/563502876.db2.gz HPZKUGUOSAEPDS-SJKOYZFVSA-N 1 0 395.272 2.916 20 0 GFADRO C[N@@H+]1CC[C@H]2OCCN(C(=O)/C=C/c3cc(Br)ccc3F)[C@@H]2C1 ZINC000285097020 563503167 /nfs/dbraw/zinc/50/31/67/563503167.db2.gz DWSPLTQHQAUDKO-IMXYCLITSA-N 1 0 383.261 2.533 20 0 GFADRO Cc1ccc(S(=O)(=O)N2CCC[C@@H]([NH+](C)C)CC2)cc1Br ZINC000428871047 563503556 /nfs/dbraw/zinc/50/35/56/563503556.db2.gz ZMWCSFNKOAZSNV-CYBMUJFWSA-N 1 0 375.332 2.862 20 0 GFADRO Cc1csc(N2CCC([NH2+][C@@H]3CCCN(CC(F)(F)F)C3=O)CC2)n1 ZINC000378398452 563505166 /nfs/dbraw/zinc/50/51/66/563505166.db2.gz FTKUSWKOGGXNFF-CYBMUJFWSA-N 1 0 376.448 2.563 20 0 GFADRO CC(=O)N[C@H](CC(=O)N[C@H](C)[C@H]1CCC[NH2+]C1)c1ccc(Br)cc1 ZINC000428993773 563506332 /nfs/dbraw/zinc/50/63/32/563506332.db2.gz NTWGKKXWPSEAOU-ISTRZQFTSA-N 1 0 396.329 2.521 20 0 GFADRO C[C@H](NC[C@@H]1CC[N@H+](C)[C@H]1c1cccs1)c1cccc(S(N)(=O)=O)c1 ZINC000378435971 563506794 /nfs/dbraw/zinc/50/67/94/563506794.db2.gz WIWWIRACOMIPRH-DHSIGJKJSA-N 1 0 379.551 2.739 20 0 GFADRO CC1(C[NH+]2CCOCC2)CCN(C(=O)c2ccc(Br)cc2O)CC1 ZINC000378467715 563507451 /nfs/dbraw/zinc/50/74/51/563507451.db2.gz VUGPRQCGGAYGQH-UHFFFAOYSA-N 1 0 397.313 2.729 20 0 GFADRO C[N@@H+]1CC[C@H]2CCN(C(=O)Nc3ccc(I)cc3)C[C@H]21 ZINC000378449638 563507496 /nfs/dbraw/zinc/50/74/96/563507496.db2.gz GHBUXLOEDXSDNU-SMDDNHRTSA-N 1 0 385.249 2.849 20 0 GFADRO C[C@@H]1C[C@@H]1[N@@H+]1CCN([C@H](C(N)=O)c2cccc(Br)c2)C[C@@H](C)C1 ZINC000429023371 563507610 /nfs/dbraw/zinc/50/76/10/563507610.db2.gz UOLMDHKNASVIBQ-RMHZUWNSSA-N 1 0 380.330 2.638 20 0 GFADRO Cc1cccc(S(=O)(=O)N(C)C2CC[NH+](C3CCOCC3)CC2)c1Cl ZINC000378445299 563507789 /nfs/dbraw/zinc/50/77/89/563507789.db2.gz SPPDFZNDKILZQE-UHFFFAOYSA-N 1 0 386.945 2.912 20 0 GFADRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1Cc1csc(-c2ccc(S(C)(=O)=O)cc2)n1 ZINC000330592987 563512878 /nfs/dbraw/zinc/51/28/78/563512878.db2.gz PODIBBYPAGRSDW-UONOGXRCSA-N 1 0 379.551 2.738 20 0 GFADRO CNS(=O)(=O)CCC[NH2+]C(C)(C)Cc1ccc(Br)c(C)c1 ZINC000429260959 563513412 /nfs/dbraw/zinc/51/34/12/563513412.db2.gz YVCBQAMFTVAUHO-UHFFFAOYSA-N 1 0 377.348 2.608 20 0 GFADRO Brc1ccc(CN2CC[NH+]([C@H]3CCOC3)CC2)c2ncccc12 ZINC000378648783 563513656 /nfs/dbraw/zinc/51/36/56/563513656.db2.gz JGEUJDRIFBHUTI-HNNXBMFYSA-N 1 0 376.298 2.904 20 0 GFADRO C[NH2+]C[C@@H](C)CNC(=O)c1ccc(OCc2cc(C)no2)c(Br)c1 ZINC000429409212 563516030 /nfs/dbraw/zinc/51/60/30/563516030.db2.gz VGRZJZGUDPPKBF-LLVKDONJSA-N 1 0 396.285 2.910 20 0 GFADRO C[NH2+]C1CCN(C(=O)c2cc(I)ccc2Cl)CC1 ZINC000429409197 563516296 /nfs/dbraw/zinc/51/62/96/563516296.db2.gz OGNLEAXTBQGWFK-UHFFFAOYSA-N 1 0 378.641 2.769 20 0 GFADRO CN(C)S(=O)(=O)CCC[NH2+][C@H]1c2cccc(Br)c2CC1(C)C ZINC000429390973 563516469 /nfs/dbraw/zinc/51/64/69/563516469.db2.gz YAAAWEOSDMRDTQ-HNNXBMFYSA-N 1 0 389.359 2.944 20 0 GFADRO C[NH+](C)CC1CN(C(=O)c2ccc(Br)cc2Br)C1 ZINC000382132165 563516605 /nfs/dbraw/zinc/51/66/05/563516605.db2.gz FBKLFYHFTPQJMK-UHFFFAOYSA-N 1 0 376.092 2.845 20 0 GFADRO C[NH+](C)CCC1CCN(C(=O)c2cn3ccc(Br)cc3n2)CC1 ZINC000285363262 563516926 /nfs/dbraw/zinc/51/69/26/563516926.db2.gz ALYPYSRWUOUDMO-UHFFFAOYSA-N 1 0 379.302 2.901 20 0 GFADRO C[NH2+]C[C@H]1CCN(C(=O)c2cc(I)ccc2Cl)C1 ZINC000429444472 563517063 /nfs/dbraw/zinc/51/70/63/563517063.db2.gz GVBLPOSAEDYBSQ-SECBINFHSA-N 1 0 378.641 2.626 20 0 GFADRO Cc1cc(S(=O)(=O)N2CCC[C@H]([C@H]3CCC[NH2+]3)C2)ccc1Br ZINC000386826461 563518469 /nfs/dbraw/zinc/51/84/69/563518469.db2.gz SSZCUWRSUZCBSP-XJKSGUPXSA-N 1 0 387.343 2.910 20 0 GFADRO COc1ccc(C[NH2+]CC2(S(C)(=O)=O)CCCC2)cc1Br ZINC000285394331 563518795 /nfs/dbraw/zinc/51/87/95/563518795.db2.gz DNPILLQJUIUOMF-UHFFFAOYSA-N 1 0 376.316 2.905 20 0 GFADRO C[C@@H]([NH3+])c1ccc(NC(=O)CN(C)C(=O)c2ccc(Br)o2)cc1 ZINC000429573804 563519049 /nfs/dbraw/zinc/51/90/49/563519049.db2.gz CFGFFFUIBUJDJR-SNVBAGLBSA-N 1 0 380.242 2.773 20 0 GFADRO COc1ccc(Br)cc1S(=O)(=O)NC(C)(C)CCC[NH+](C)C ZINC000387342875 563519696 /nfs/dbraw/zinc/51/96/96/563519696.db2.gz UGRUWPHKNXOHNK-UHFFFAOYSA-N 1 0 393.347 2.856 20 0 GFADRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)c1cc(Br)ccc1Br ZINC000389793625 563521856 /nfs/dbraw/zinc/52/18/56/563521856.db2.gz RVMRRYJJNYIXSV-PELKAZGASA-N 1 0 376.092 2.939 20 0 GFADRO O=C(NC[C@@H]1C[NH2+]CCCO1)c1ccc(Br)cc1C(F)(F)F ZINC000389755481 563522218 /nfs/dbraw/zinc/52/22/18/563522218.db2.gz WLMVGENXDKZFDO-JTQLQIEISA-N 1 0 381.192 2.576 20 0 GFADRO [NH3+][C@@H]1CCCN(S(=O)(=O)c2ccc(Br)c(C(F)(F)F)c2)C1 ZINC000390822696 563523568 /nfs/dbraw/zinc/52/35/68/563523568.db2.gz GZHBIPMTIMOABC-MRVPVSSYSA-N 1 0 387.221 2.580 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2S(=O)(=O)c1ccc(Cl)cc1Cl ZINC000429830793 563523923 /nfs/dbraw/zinc/52/39/23/563523923.db2.gz SQPHQKZKXVRMHP-SNPRPXQTSA-N 1 0 393.336 2.866 20 0 GFADRO CC(C)n1cc(C(=O)N(CC[NH+](C)C)Cc2ccc(Br)cc2)nn1 ZINC000429828970 563523988 /nfs/dbraw/zinc/52/39/88/563523988.db2.gz UBUFBMOCDMNMHP-UHFFFAOYSA-N 1 0 394.317 2.826 20 0 GFADRO O[C@@H](COc1cccc(Br)c1)C[N@@H+]1CCC[C@@](O)(C(F)(F)F)C1 ZINC000330849459 563524029 /nfs/dbraw/zinc/52/40/29/563524029.db2.gz DJSFHPIWYGWHOJ-OCCSQVGLSA-N 1 0 398.219 2.578 20 0 GFADRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)CCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000285575995 563527246 /nfs/dbraw/zinc/52/72/46/563527246.db2.gz HYSGQFKOPQIIIG-WMLDXEAASA-N 1 0 386.945 2.693 20 0 GFADRO C[C@@H](CNC(=O)c1cc(F)c(Br)c(Cl)c1)N1CC[NH+](C)CC1 ZINC000285605665 563528816 /nfs/dbraw/zinc/52/88/16/563528816.db2.gz PVEKJXMYALSWAS-JTQLQIEISA-N 1 0 392.700 2.607 20 0 GFADRO C[C@@H]([NH2+]C[C@@H]1CCCN(S(C)(=O)=O)C1)c1ccc(Br)cc1F ZINC000285613744 563528972 /nfs/dbraw/zinc/52/89/72/563528972.db2.gz KHYFRRULMKPKJV-NEPJUHHUSA-N 1 0 393.322 2.910 20 0 GFADRO Cc1nc(NC(=O)[C@@H]2C[NH2+]CCO2)sc1Cc1cccc(Br)c1 ZINC000429979420 563531049 /nfs/dbraw/zinc/53/10/49/563531049.db2.gz IJRIKYIDMJNCKA-ZDUSSCGKSA-N 1 0 396.310 2.732 20 0 GFADRO CN(C[C@H]1CCCN(Cc2csc(-c3ccsc3)n2)C1)S(C)(=O)=O ZINC000285701287 563532538 /nfs/dbraw/zinc/53/25/38/563532538.db2.gz SKXMOZOFOCTQFJ-CYBMUJFWSA-N 1 0 385.580 2.975 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCCN(S(C)(=O)=O)C1)c1cc(Br)ccc1F ZINC000400197767 563534512 /nfs/dbraw/zinc/53/45/12/563534512.db2.gz MVFDPBDMGWEKKT-CMPLNLGQSA-N 1 0 379.295 2.663 20 0 GFADRO C[C@@H](C(=O)NC[C@H](CO)Cc1cccc(Br)c1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000430131783 563534488 /nfs/dbraw/zinc/53/44/88/563534488.db2.gz YVFOQQUACMYJSM-QSJFSLAZSA-N 1 0 397.357 2.978 20 0 GFADRO C[C@H]1CCCN(C(=O)c2csc(I)c2)[C@H]1CC[NH3+] ZINC000404359238 563537186 /nfs/dbraw/zinc/53/71/86/563537186.db2.gz NDXWKMIBQZAOJK-ONGXEEELSA-N 1 0 378.279 2.942 20 0 GFADRO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NC[C@H](CO)Cc1ccc(Br)cc1 ZINC000430178496 563538186 /nfs/dbraw/zinc/53/81/86/563538186.db2.gz MKMBRGRFXYCFFV-IJEWVQPXSA-N 1 0 383.330 2.589 20 0 GFADRO C[C@H](C(=O)Nc1ccc(Br)cc1)N1C[C@@H](N2CCOCC2)C[C@H]1C ZINC000285810153 563538269 /nfs/dbraw/zinc/53/82/69/563538269.db2.gz GHGQPXXYGDIVAS-CPUCHLNUSA-N 1 0 396.329 2.571 20 0 GFADRO C[C@@H](C(=O)Nc1ccc(Br)cc1)N1C[C@@H](N2CCOCC2)C[C@H]1C ZINC000285810161 563538315 /nfs/dbraw/zinc/53/83/15/563538315.db2.gz GHGQPXXYGDIVAS-KEYYUXOJSA-N 1 0 396.329 2.571 20 0 GFADRO NC(=O)[C@@H](c1ccc(Br)cc1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000331180501 563538645 /nfs/dbraw/zinc/53/86/45/563538645.db2.gz QYXDZXDCLZOHDB-XJKSGUPXSA-N 1 0 382.302 2.680 20 0 GFADRO C[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2Br)[C@H]1CC[NH3+] ZINC000405255310 563538935 /nfs/dbraw/zinc/53/89/35/563538935.db2.gz LVZCATUKRWOJFV-MFKMUULPSA-N 1 0 379.295 2.726 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)N1CC[N@@H+](C[C@H](C)O)C[C@@H]1C ZINC000331181603 563539163 /nfs/dbraw/zinc/53/91/63/563539163.db2.gz MZOYYKYPSZUWSJ-KBPBESRZSA-N 1 0 384.318 2.985 20 0 GFADRO C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+]CCn1cc(Br)cn1 ZINC000285843406 563539500 /nfs/dbraw/zinc/53/95/00/563539500.db2.gz YPDBQDMHUSXIKD-SNVBAGLBSA-N 1 0 386.681 2.701 20 0 GFADRO COc1cc(Br)ccc1CNC(=O)N1CC[N@H+](C)C[C@@H]1C(C)C ZINC000430273908 563540191 /nfs/dbraw/zinc/54/01/91/563540191.db2.gz PGZHLIWLBXJKOE-OAHLLOKOSA-N 1 0 384.318 2.939 20 0 GFADRO COc1ccc(Br)c(S(=O)(=O)N[C@H]2CCC[N@@H+](C(C)C)C2)c1 ZINC000331236668 563542133 /nfs/dbraw/zinc/54/21/33/563542133.db2.gz UKUFOMRFBKIYFD-LBPRGKRZSA-N 1 0 391.331 2.609 20 0 GFADRO CCc1n[nH]c(C(=O)N[C@@H](C[NH+](C)C)c2ccc(OC)cc2)c1Br ZINC000285965643 563543991 /nfs/dbraw/zinc/54/39/91/563543991.db2.gz GZWMOGIMOOKACE-AWEZNQCLSA-N 1 0 395.301 2.776 20 0 GFADRO C[N@@H+](CCc1nc(-c2ccccc2)no1)CCn1cc(Br)cn1 ZINC000285975536 563544474 /nfs/dbraw/zinc/54/44/74/563544474.db2.gz NUTFIJOLHZMBMN-UHFFFAOYSA-N 1 0 376.258 2.870 20 0 GFADRO CC(C)[C@@H]([NH3+])CCN(C)CCS(=O)(=O)c1cccc(Br)c1 ZINC000430557623 563545034 /nfs/dbraw/zinc/54/50/34/563545034.db2.gz TTWLSIATNMQLRA-HNNXBMFYSA-N 1 0 377.348 2.528 20 0 GFADRO C[NH+](C)CC1CCC(NS(=O)(=O)c2ccc(OC(F)F)c(F)c2)CC1 ZINC000331324881 563545998 /nfs/dbraw/zinc/54/59/98/563545998.db2.gz NXEMYTWTRPZURG-UHFFFAOYSA-N 1 0 380.432 2.826 20 0 GFADRO C[C@@H]([NH2+]CCc1ccccc1O)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430723171 563548357 /nfs/dbraw/zinc/54/83/57/563548357.db2.gz OFNLHBSKTTXHPF-LLVKDONJSA-N 1 0 399.310 2.695 20 0 GFADRO C[C@H](O)CC(C)(C)C[NH2+][C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430708888 563548424 /nfs/dbraw/zinc/54/84/24/563548424.db2.gz VIHRYBVOYNKWDV-QWRGUYRKSA-N 1 0 393.347 2.544 20 0 GFADRO C[C@H]([NH2+][C@H](CCO)C(C)(C)C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430747922 563548916 /nfs/dbraw/zinc/54/89/16/563548916.db2.gz NTDWNSLKUACVKG-IINYFYTJSA-N 1 0 393.347 2.544 20 0 GFADRO O=C(NCCC[NH+]1CCCC1)c1ccn(-c2ccc(Br)cc2)n1 ZINC000431027210 563552090 /nfs/dbraw/zinc/55/20/90/563552090.db2.gz UIROFOYVXADUGW-UHFFFAOYSA-N 1 0 377.286 2.851 20 0 GFADRO C[N@@H+]1CCC[C@@H]2CN(c3c(Br)cccc3S(C)(=O)=O)CC[C@H]21 ZINC000286262593 563554390 /nfs/dbraw/zinc/55/43/90/563554390.db2.gz PYLDEGUPDKPZHM-TZMCWYRMSA-N 1 0 387.343 2.773 20 0 GFADRO COC(=O)c1cc(S(=O)(=O)N2CCC[C@H]([NH+]3[C@H](C)CC[C@H]3C)C2)cs1 ZINC000331761947 563561252 /nfs/dbraw/zinc/56/12/52/563561252.db2.gz BHCRSNRSCGLWAN-MCIONIFRSA-N 1 0 386.539 2.561 20 0 GFADRO COC(=O)c1sccc1S(=O)(=O)N1CCC[C@@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000331769042 563561480 /nfs/dbraw/zinc/56/14/80/563561480.db2.gz FAWHBQMNFPFNEK-HZSPNIEDSA-N 1 0 386.539 2.561 20 0 GFADRO COCc1cccc2sc(NC(=O)N3C[C@H](SC)[C@@H]([NH+](C)C)C3)nc21 ZINC000331813324 563562663 /nfs/dbraw/zinc/56/26/63/563562663.db2.gz XXOAHQMZCBKRCY-JSGCOSHPSA-N 1 0 380.539 2.952 20 0 GFADRO COc1nc(C)c(Br)cc1C(=O)N1CC[C@H]([NH+]2CCCC2)[C@H]1C ZINC000286624734 563567749 /nfs/dbraw/zinc/56/77/49/563567749.db2.gz AMTUYBYUJARDHP-DOMZBBRYSA-N 1 0 382.302 2.860 20 0 GFADRO CC1CC[NH+](C[C@H](O)CNC(=O)C(C)(C)c2ccccc2Br)CC1 ZINC000409677805 563567895 /nfs/dbraw/zinc/56/78/95/563567895.db2.gz ICXHAVMTKLYBNK-OAHLLOKOSA-N 1 0 397.357 2.936 20 0 GFADRO C[C@@H](NC(=O)NCc1ccc(C[NH+](C)C)cc1)c1ncc(Br)cn1 ZINC000431784991 563568710 /nfs/dbraw/zinc/56/87/10/563568710.db2.gz NPVWDEAFTYMDAK-GFCCVEGCSA-N 1 0 392.301 2.861 20 0 GFADRO C[C@H](NC(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1ncc(Br)cn1 ZINC000431822029 563569085 /nfs/dbraw/zinc/56/90/85/563569085.db2.gz MKRNRLFBONLBKE-MJBXVCDLSA-N 1 0 398.349 2.967 20 0 GFADRO C[C@H](CC[NH+]1CCN(C)CC1)Nc1ccnc2c(Br)ccc(F)c12 ZINC000409726790 563569850 /nfs/dbraw/zinc/56/98/50/563569850.db2.gz LNXNPJWXABGESG-CYBMUJFWSA-N 1 0 395.320 2.996 20 0 GFADRO CC[NH+](CC)C[C@@H]1CCCC[C@H]1NS(=O)(=O)c1csc(C(=O)OC)c1 ZINC000431890432 563570515 /nfs/dbraw/zinc/57/05/15/563570515.db2.gz DUQDAACMYBPYCA-DZGCQCFKSA-N 1 0 388.555 2.714 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)NCCC[N@@H+](C)C(C)C)c(Br)c1 ZINC000431960159 563571837 /nfs/dbraw/zinc/57/18/37/563571837.db2.gz ZYIMUDDKWCXTTQ-UHFFFAOYSA-N 1 0 384.318 2.851 20 0 GFADRO CN1CC[NH+](CC2CCN(C(=O)c3cscc3Br)CC2)CC1 ZINC000286719050 563571860 /nfs/dbraw/zinc/57/18/60/563571860.db2.gz XENQGGMPXCDKCW-UHFFFAOYSA-N 1 0 386.359 2.610 20 0 GFADRO COC(=O)c1cccc(NC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)c1Br ZINC000332047359 563572678 /nfs/dbraw/zinc/57/26/78/563572678.db2.gz MBVNZYPPPMLGCO-OCCSQVGLSA-N 1 0 396.285 2.984 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)NC[C@@H](C)[N@H+](C)C2CC2)c(Br)c1 ZINC000432001136 563573150 /nfs/dbraw/zinc/57/31/50/563573150.db2.gz PEIPOXJMNGJEIE-GFCCVEGCSA-N 1 0 382.302 2.603 20 0 GFADRO C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)c1ccc2nnnn2n1 ZINC000432070142 563574148 /nfs/dbraw/zinc/57/41/48/563574148.db2.gz VIOJDEHIVKKLPZ-UHFFFAOYSA-N 1 0 380.283 2.784 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@H]32)c(Br)c1 ZINC000332071586 563574320 /nfs/dbraw/zinc/57/43/20/563574320.db2.gz WTAMTRYLRKAACF-UKRRQHHQSA-N 1 0 394.313 2.557 20 0 GFADRO Cc1nc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cn2)c(Br)s1 ZINC000332117391 563577610 /nfs/dbraw/zinc/57/76/10/563577610.db2.gz HNTNQMIAQUCSRW-UHFFFAOYSA-N 1 0 396.314 2.613 20 0 GFADRO O=S1(=O)CCC[C@@H](C[NH2+][C@H]2CCc3c2cc(Br)cc3F)C1 ZINC000286868411 563578171 /nfs/dbraw/zinc/57/81/71/563578171.db2.gz BOFPTBPPIDKBPO-BONVTDFDSA-N 1 0 376.291 2.990 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N2CCc3cc(Cl)c(Cl)cc3[C@H]2C)C1 ZINC000332146217 563579748 /nfs/dbraw/zinc/57/97/48/563579748.db2.gz KPHCONXRSAOJHP-DMDPSCGWSA-N 1 0 384.307 2.635 20 0 GFADRO C[C@H](Oc1ccc(Cl)cc1Br)C(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000432528653 563586095 /nfs/dbraw/zinc/58/60/95/563586095.db2.gz ALIBSUJMRXAAEM-KWBADKCTSA-N 1 0 375.694 2.984 20 0 GFADRO C[C@H]([NH2+]C[C@H]1CCCSC1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000287123765 563588112 /nfs/dbraw/zinc/58/81/12/563588112.db2.gz RFXSRIRPDCELQD-JKSUJKDBSA-N 1 0 384.567 2.501 20 0 GFADRO C[N@H+](C[C@H](O)COc1ccccc1C(F)(F)F)C[C@](C)(O)C(F)(F)F ZINC000410381221 563588461 /nfs/dbraw/zinc/58/84/61/563588461.db2.gz IVGTYYIWXIAXJI-GWCFXTLKSA-N 1 0 375.309 2.690 20 0 GFADRO C[C@H]([NH2+]CCCn1cc(Br)cn1)c1ccc(-n2cncn2)cc1 ZINC000287141690 563588647 /nfs/dbraw/zinc/58/86/47/563588647.db2.gz AQCBXLTZGFVVGF-ZDUSSCGKSA-N 1 0 375.274 2.967 20 0 GFADRO C[N@H+](C[C@@H](O)COc1ccc(C(F)(F)F)cc1)C[C@](C)(O)C(F)(F)F ZINC000410392146 563589260 /nfs/dbraw/zinc/58/92/60/563589260.db2.gz JTLSNYIXMSIQRH-YPMHNXCESA-N 1 0 375.309 2.690 20 0 GFADRO NC(=O)[C@H]([NH2+][C@@H]1CCO[C@H](C(F)(F)F)C1)c1cccc(Br)c1 ZINC000287142622 563589683 /nfs/dbraw/zinc/58/96/83/563589683.db2.gz SIHYMTONVURZIF-GRYCIOLGSA-N 1 0 381.192 2.675 20 0 GFADRO COC[C@H]([NH2+][C@H](C)C(=O)Nc1ccc(Br)c(C)c1)[C@H]1CCCO1 ZINC000432648105 563590147 /nfs/dbraw/zinc/59/01/47/563590147.db2.gz VKUAPWNLTVTVTI-UHOFOFEASA-N 1 0 385.302 2.868 20 0 GFADRO C[C@@H](C[NH+](C)C)NC(=O)CCc1nc(-c2cc(Br)cs2)no1 ZINC000287215534 563591636 /nfs/dbraw/zinc/59/16/36/563591636.db2.gz OBBIDUMYYXVLAS-VIFPVBQESA-N 1 0 387.303 2.560 20 0 GFADRO C[C@H](N[C@H]1CCS(=O)(=O)c2ccc(Br)cc21)[C@H]1CCC[NH2+]C1 ZINC000332304317 563591856 /nfs/dbraw/zinc/59/18/56/563591856.db2.gz GNRPOQLUZONOFN-HUBLWGQQSA-N 1 0 387.343 2.645 20 0 GFADRO C[NH+]1CCC(CCNC(=O)C(C)(C)S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000287272126 563594442 /nfs/dbraw/zinc/59/44/42/563594442.db2.gz DRBIHRURACUVJB-UHFFFAOYSA-N 1 0 386.945 2.740 20 0 GFADRO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000410732871 563595932 /nfs/dbraw/zinc/59/59/32/563595932.db2.gz SZBFGCQZRVICHL-CVEARBPZSA-N 1 0 384.307 2.647 20 0 GFADRO Cc1ccc(-c2csc(NC(=O)C(=O)NCCC[NH+]3CCCC3)n2)s1 ZINC000287400283 563599912 /nfs/dbraw/zinc/59/99/12/563599912.db2.gz JZOPBZQWJLALKR-UHFFFAOYSA-N 1 0 378.523 2.721 20 0 GFADRO C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)NCc1ccc(O)c(Br)c1 ZINC000332469560 563600350 /nfs/dbraw/zinc/60/03/50/563600350.db2.gz JSLAUECHZORBLJ-GXTWGEPZSA-N 1 0 382.302 2.923 20 0 GFADRO C[N@H+](C[C@@H](O)COc1ccc(Br)cc1)C[C@H](O)Cc1ccccc1 ZINC000433045088 563601293 /nfs/dbraw/zinc/60/12/93/563601293.db2.gz DEKFLDSUUQMCRO-QZTJIDSGSA-N 1 0 394.309 2.724 20 0 GFADRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N(C)Cc2cc(Cl)cc(Cl)c2)C1 ZINC000411028663 563601862 /nfs/dbraw/zinc/60/18/62/563601862.db2.gz PPQQTIPKAMBCEV-INIZCTEOSA-N 1 0 386.323 2.893 20 0 GFADRO CCC(=O)N[C@H]1CCCN(Cc2cc(Br)c3c(c2)OCCO3)C1 ZINC000332514129 563602342 /nfs/dbraw/zinc/60/23/42/563602342.db2.gz LKUZVMZODFOFHH-ZDUSSCGKSA-N 1 0 383.286 2.711 20 0 GFADRO C[NH+](C)Cc1ccc(S(=O)(=O)NCCc2nc3c(s2)CCCC3)cc1 ZINC000433094090 563602575 /nfs/dbraw/zinc/60/25/75/563602575.db2.gz TYMQBZWUULLSCG-UHFFFAOYSA-N 1 0 379.551 2.605 20 0 GFADRO CC(C)[C@@H](C[NH3+])C(=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000433115028 563603389 /nfs/dbraw/zinc/60/33/89/563603389.db2.gz IRPXGEGHWVAKLE-GFCCVEGCSA-N 1 0 378.826 2.633 20 0 GFADRO O=C(Nc1cc(Cl)c(Cl)cc1Cl)C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000332569410 563604917 /nfs/dbraw/zinc/60/49/17/563604917.db2.gz VTCACEXJZJXPCH-QPUJVOFHSA-N 1 0 376.671 2.796 20 0 GFADRO C[C@H]([NH2+]C[C@@H]1CCOC[C@H]1C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000287551514 563607303 /nfs/dbraw/zinc/60/73/03/563607303.db2.gz PTHGVJFDZSWCLZ-VWYCJHECSA-N 1 0 381.325 2.964 20 0 GFADRO C[C@H]1CCN(C(=O)Nc2ccc3nccnc3c2Br)C[C@H]1C[NH3+] ZINC000332645538 563609501 /nfs/dbraw/zinc/60/95/01/563609501.db2.gz WVHVVMYQCGEIRG-WDEREUQCSA-N 1 0 378.274 2.841 20 0 GFADRO CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](Cc2ccc(Br)cc2)C1 ZINC000433322741 563609545 /nfs/dbraw/zinc/60/95/45/563609545.db2.gz RRWCTBDDMIEWDA-OCCSQVGLSA-N 1 0 382.302 2.548 20 0 GFADRO Cc1ccc(CC(=O)NC[C@@H](O)C[NH+]2CCC(C)CC2)cc1Br ZINC000332641307 563609522 /nfs/dbraw/zinc/60/95/22/563609522.db2.gz VGFXQMLEBOBRAW-MRXNPFEDSA-N 1 0 383.330 2.509 20 0 GFADRO C[C@H]([NH3+])C1CCN(C(=O)N[C@@H]2CCN(c3cccc(Br)c3)C2)CC1 ZINC000332657509 563610372 /nfs/dbraw/zinc/61/03/72/563610372.db2.gz JSCRBXLLCKOHQY-XJKSGUPXSA-N 1 0 395.345 2.797 20 0 GFADRO C[C@@H]1CN(C(=O)Nc2nnc(-c3cccc(Br)c3)s2)[C@H](C)C[NH2+]1 ZINC000332676317 563611036 /nfs/dbraw/zinc/61/10/36/563611036.db2.gz QOHYYIOKENPNJS-NXEZZACHSA-N 1 0 396.314 3.182 20 0 GFADRO C[C@H](O)C[N@@H+]1CCN(Cc2c(F)c(F)c(Br)c(F)c2F)C[C@@H]1C ZINC000411237633 563611536 /nfs/dbraw/zinc/61/15/36/563611536.db2.gz JZERFECCVZKHQR-IUCAKERBSA-N 1 0 399.226 2.892 20 0 GFADRO CC(C)[NH+]1CCN(C(=O)Nc2ccc3nccnc3c2Br)CC1 ZINC000287643079 563612173 /nfs/dbraw/zinc/61/21/73/563612173.db2.gz JKPUUUXOEHYPDA-UHFFFAOYSA-N 1 0 378.274 2.950 20 0 GFADRO Cn1cc(Br)cc(NC(=O)N2CCCC[C@@H]2[C@@H]2CCC[NH2+]C2)c1=O ZINC000333081907 563619507 /nfs/dbraw/zinc/61/95/07/563619507.db2.gz AVXGALMFSCKGOW-IUODEOHRSA-N 1 0 397.317 2.534 20 0 GFADRO COc1cc(Br)c(S(=O)(=O)N[C@H](C)CC[NH+](C)C)cc1Cl ZINC000433810469 563619943 /nfs/dbraw/zinc/61/99/43/563619943.db2.gz FIBQNLFCUIPIFS-SECBINFHSA-N 1 0 399.738 2.730 20 0 GFADRO C[C@@H]1CN(C(=O)c2cc(Br)cc3nc[nH]c32)CC[N@@H+](C2CC2)C1 ZINC000333088124 563620164 /nfs/dbraw/zinc/62/01/64/563620164.db2.gz NOLFEUNIZLERGQ-NSHDSACASA-N 1 0 377.286 2.882 20 0 GFADRO C[N@H+](CCC(=O)Nc1ccc(Br)cc1)C1(CCO)CCOCC1 ZINC000411505775 563621888 /nfs/dbraw/zinc/62/18/88/563621888.db2.gz XRZJLBYSBPQZAZ-UHFFFAOYSA-N 1 0 385.302 2.641 20 0 GFADRO COc1cc(Br)c(NC(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1OC ZINC000333180617 563623281 /nfs/dbraw/zinc/62/32/81/563623281.db2.gz RVTTXPYOUCZYDH-JQWIXIFHSA-N 1 0 384.274 2.682 20 0 GFADRO C[NH+](C)[C@]1(CNC(=O)Cc2cc(F)ccc2Br)CCSC1 ZINC000434019762 563624921 /nfs/dbraw/zinc/62/49/21/563624921.db2.gz BHCAKZOPNNPTHZ-HNNXBMFYSA-N 1 0 375.307 2.684 20 0 GFADRO [NH3+][C@@H]1CCO[C@@H](C2CCN(C(=O)c3cc(F)cc(Br)c3)CC2)C1 ZINC000333252746 563625334 /nfs/dbraw/zinc/62/53/34/563625334.db2.gz HDZPXZNBNFJGPY-HZPDHXFCSA-N 1 0 385.277 2.947 20 0 GFADRO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(C(=O)Cc2ccc(Br)s2)CC1 ZINC000333281281 563626678 /nfs/dbraw/zinc/62/66/78/563626678.db2.gz MNQUZZFPWZHZFC-CZUORRHYSA-N 1 0 387.343 2.798 20 0 GFADRO [NH3+][C@H]1CCCO[C@@H]1C1CCN(C(=O)Nc2ncc(C(F)(F)F)s2)CC1 ZINC000333270143 563626879 /nfs/dbraw/zinc/62/68/79/563626879.db2.gz FYQOHFJIIWNJTP-CMPLNLGQSA-N 1 0 378.420 2.912 20 0 GFADRO [NH3+][C@@H]1CCO[C@@H](C2CCN(C(=O)c3cc(F)ccc3Br)CC2)C1 ZINC000333272410 563626902 /nfs/dbraw/zinc/62/69/02/563626902.db2.gz KTSHBPJUYVHNNB-CZUORRHYSA-N 1 0 385.277 2.947 20 0 GFADRO CCOC(=O)[C@H]1CCCN(C(=O)C[NH2+][C@@H](C)c2ccc(Br)cc2)C1 ZINC000411634241 563627127 /nfs/dbraw/zinc/62/71/27/563627127.db2.gz BPXXLAZBJPYLPC-ZFWWWQNUSA-N 1 0 397.313 2.901 20 0 GFADRO Cc1nc(S(=O)(=O)N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)sc1C ZINC000333301590 563627520 /nfs/dbraw/zinc/62/75/20/563627520.db2.gz SXJCESSNAKQQNP-QGZVFWFLSA-N 1 0 379.551 2.903 20 0 GFADRO C[N@@H+]1CCC[C@@H](CCNC(=O)C(=O)Nc2nc(-c3cccs3)cs2)C1 ZINC000411672049 563628936 /nfs/dbraw/zinc/62/89/36/563628936.db2.gz MRBQUKJJZPLQGL-LBPRGKRZSA-N 1 0 378.523 2.658 20 0 GFADRO C[C@@H](NC(=O)C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1)c1cccc(Cl)c1Cl ZINC000288166201 563631987 /nfs/dbraw/zinc/63/19/87/563631987.db2.gz MIDMLDRLDNVOQJ-CHWSQXEVSA-N 1 0 386.323 2.971 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)C(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000434559725 563631983 /nfs/dbraw/zinc/63/19/83/563631983.db2.gz XISPGJJSWFMMIM-OAHLLOKOSA-N 1 0 394.313 2.829 20 0 GFADRO CCOCC[C@H](O)C[NH+]1CCN([C@@H](C)c2ccc(Br)cc2)CC1 ZINC000434635100 563633115 /nfs/dbraw/zinc/63/31/15/563633115.db2.gz VOUMLOSZYIMZJG-YJBOKZPZSA-N 1 0 385.346 2.915 20 0 GFADRO C[C@H](C(=O)Nc1ccc(I)cc1)[N@H+](C)CCCCCO ZINC000434667781 563634509 /nfs/dbraw/zinc/63/45/09/563634509.db2.gz YVOHLWFJFRSSFP-GFCCVEGCSA-N 1 0 390.265 2.713 20 0 GFADRO Cc1cc(C(=O)N[C@@H]2CCC[NH2+][C@H]2C)nn1-c1ccc(Br)cc1 ZINC000434703825 563635706 /nfs/dbraw/zinc/63/57/06/563635706.db2.gz BOIGRZYOGGLWIL-SWLSCSKDSA-N 1 0 377.286 2.814 20 0 GFADRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)N[C@@H]3CCN(c4ccc(Cl)cc4Cl)C3)C[C@@H]12 ZINC000333628428 563637202 /nfs/dbraw/zinc/63/72/02/563637202.db2.gz SLMKQEHGKLSSKJ-XKVFNRALSA-N 1 0 383.323 2.951 20 0 GFADRO O=C(N[C@@H]1CCC[NH2+]C1)N1CCO[C@@H](c2cc(F)c(Cl)cc2Cl)C1 ZINC000333637653 563637327 /nfs/dbraw/zinc/63/73/27/563637327.db2.gz HQAADEGHCJLZIX-MEBBXXQBSA-N 1 0 376.259 2.967 20 0 GFADRO CC[NH+]1CCN(CCC(=O)N[C@H](CCO)c2ccc(Cl)c(Cl)c2)CC1 ZINC000288309401 563637547 /nfs/dbraw/zinc/63/75/47/563637547.db2.gz ILBKJAZQQHOODU-QGZVFWFLSA-N 1 0 388.339 2.561 20 0 GFADRO [NH3+][C@H]1CCO[C@H](C2CCN(S(=O)(=O)c3cc(Cl)cc(Cl)c3)CC2)C1 ZINC000333653928 563637750 /nfs/dbraw/zinc/63/77/50/563637750.db2.gz KHDFOVRXKCCTIB-HOCLYGCPSA-N 1 0 393.336 2.900 20 0 GFADRO OCC[C@]1([NH2+]Cc2cc(Br)cc(Br)c2)CCOC1 ZINC000288318387 563638198 /nfs/dbraw/zinc/63/81/98/563638198.db2.gz ACIMNMUCAINTKY-ZDUSSCGKSA-N 1 0 379.092 2.843 20 0 GFADRO [NH3+][C@H]1CCCO[C@H]1C1CCN(S(=O)(=O)Cc2ccc(F)c(Cl)c2)CC1 ZINC000333663665 563638460 /nfs/dbraw/zinc/63/84/60/563638460.db2.gz LYJAWRVBPYQALT-IRXDYDNUSA-N 1 0 390.908 2.527 20 0 GFADRO O=C(N[C@@H]1C[C@H]1c1ccc(Br)cc1)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000333740518 563640349 /nfs/dbraw/zinc/64/03/49/563640349.db2.gz ITWXPTGKAASDMR-PEHHYFEISA-N 1 0 378.314 2.992 20 0 GFADRO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(C(=O)Cc2cccc(Br)c2)CC1 ZINC000333790870 563641833 /nfs/dbraw/zinc/64/18/33/563641833.db2.gz GEWNVNBVOIPWBM-SJLPKXTDSA-N 1 0 381.314 2.737 20 0 GFADRO O=C(c1n[nH]c2ccc(Br)cc21)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000333875444 563644642 /nfs/dbraw/zinc/64/46/42/563644642.db2.gz VGLFKVVYZUDALV-NHYWBVRUSA-N 1 0 377.286 2.930 20 0 GFADRO Brc1cccc(Cc2noc(CN(C3CC3)[C@@H]3CC[NH2+]C3)n2)c1 ZINC000435229627 563646051 /nfs/dbraw/zinc/64/60/51/563646051.db2.gz JYABZQRVKSGZEK-OAHLLOKOSA-N 1 0 377.286 2.749 20 0 GFADRO O=C(c1cnn(-c2ccc(Br)cc2)c1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000435245717 563646556 /nfs/dbraw/zinc/64/65/56/563646556.db2.gz CZQHZMBIFDHEGU-INIZCTEOSA-N 1 0 375.270 2.601 20 0 GFADRO O=C(c1ccc(S(=O)(=O)c2ccccc2)s1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000435243254 563646600 /nfs/dbraw/zinc/64/66/00/563646600.db2.gz SHMWYNVIJYZIJM-CQSZACIVSA-N 1 0 376.503 2.547 20 0 GFADRO O=C([C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000435244396 563646790 /nfs/dbraw/zinc/64/67/90/563646790.db2.gz DMWRBTYJKBHHTR-KGLIPLIRSA-N 1 0 382.291 2.699 20 0 GFADRO COC(=O)[C@H]1CSCC[N@H+](CCC(=O)Nc2ccc(OC)c(Cl)c2)C1 ZINC000412068697 563646873 /nfs/dbraw/zinc/64/68/73/563646873.db2.gz GTQJYCJYWFMTDD-GFCCVEGCSA-N 1 0 386.901 2.515 20 0 GFADRO CC(C)[N@H+](CCC(=O)Nc1cccc(Br)c1)C[C@@H]1CCC(=O)N1 ZINC000412085826 563647774 /nfs/dbraw/zinc/64/77/74/563647774.db2.gz QYYLGAZCJGPLCJ-HNNXBMFYSA-N 1 0 382.302 2.767 20 0 GFADRO COc1cc(CN2CCCC[C@@H]2C[NH3+])cc(I)c1OC ZINC000435376811 563648986 /nfs/dbraw/zinc/64/89/86/563648986.db2.gz VCNPNACOWYULAV-GFCCVEGCSA-N 1 0 390.265 2.622 20 0 GFADRO CC[NH+](CC)CCOCCNS(=O)(=O)c1c(Cl)cc(F)cc1Cl ZINC000435423648 563649450 /nfs/dbraw/zinc/64/94/50/563649450.db2.gz VESRYPRHHDGVOX-UHFFFAOYSA-N 1 0 387.304 2.769 20 0 GFADRO CC(C)[N@@H+]1CCC[C@H](NS(=O)(=O)c2ccc(Br)c(F)c2)C1 ZINC000435433292 563650464 /nfs/dbraw/zinc/65/04/64/563650464.db2.gz NIGZIRLNKRYTNK-NSHDSACASA-N 1 0 379.295 2.739 20 0 GFADRO C[C@@H](NC(=O)c1cc(Cl)c(F)cc1Cl)C(=O)NCC[NH+]1CCCCC1 ZINC000412326168 563653883 /nfs/dbraw/zinc/65/38/83/563653883.db2.gz ZIYGUKFIXTXYCV-LLVKDONJSA-N 1 0 390.286 2.853 20 0 GFADRO C[C@@H](C(=O)N[C@@H](CO)c1ccc(Br)c(F)c1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000412370035 563655690 /nfs/dbraw/zinc/65/56/90/563655690.db2.gz WSGWLZGAVRWVKT-BUWBCJGYSA-N 1 0 387.293 2.999 20 0 GFADRO Cc1ncsc1CN(CC(=O)N[C@@H](C)c1cccs1)C[C@@H]1CC[NH2+]C1 ZINC000435737796 563657435 /nfs/dbraw/zinc/65/74/35/563657435.db2.gz LZPWKEHPZXFQJN-LSDHHAIUSA-N 1 0 378.567 2.802 20 0 GFADRO Cc1ccc(Br)cc1S(=O)(=O)N(C)CC[NH+]1CCCCC1 ZINC000435798599 563659017 /nfs/dbraw/zinc/65/90/17/563659017.db2.gz IXEUIMYSYXYHNA-UHFFFAOYSA-N 1 0 375.332 2.864 20 0 GFADRO CCCC[N@H+](C)C[C@H](C)NC(=O)Nc1ccc(NS(C)(=O)=O)c(Cl)c1 ZINC000288879092 563660391 /nfs/dbraw/zinc/66/03/91/563660391.db2.gz SGPSFZWLHGVAPH-LBPRGKRZSA-N 1 0 390.937 2.953 20 0 GFADRO CC1CC[NH+]([C@H](CN2C(=O)[C@H]3CSCCN3C2=O)c2cccs2)CC1 ZINC000349293359 563661467 /nfs/dbraw/zinc/66/14/67/563661467.db2.gz GMFQVIUPXYXGAV-HUUCEWRRSA-N 1 0 379.551 2.901 20 0 GFADRO C[C@H](C[NH+]1CCOCC1)C(=O)N[C@H]1C[C@H](c2ccc(F)c(Br)c2)C1 ZINC000435990383 563662092 /nfs/dbraw/zinc/66/20/92/563662092.db2.gz OHUJRLNFIFRVTC-BPLDGKMQSA-N 1 0 399.304 2.919 20 0 GFADRO Cn1ncc(Cl)c1C[NH2+]C[C@H](CO)Cc1cccc(OC(F)(F)F)c1 ZINC000436240179 563668308 /nfs/dbraw/zinc/66/83/08/563668308.db2.gz NVMLDJQTJWAYAA-GFCCVEGCSA-N 1 0 377.794 2.913 20 0 GFADRO O=C(c1c(F)cccc1I)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000289222823 563672239 /nfs/dbraw/zinc/67/22/39/563672239.db2.gz LHLAEMKLZONHBR-OAHLLOKOSA-N 1 0 388.224 2.646 20 0 GFADRO CO[C@@H](C[NH3+])C(=O)Nc1cc(C)nn1-c1cc(C(F)(F)F)ccc1Cl ZINC000289476087 563675984 /nfs/dbraw/zinc/67/59/84/563675984.db2.gz DXRZMVSCBMNVPM-LBPRGKRZSA-N 1 0 376.766 2.765 20 0 GFADRO Cn1ccnc1[C@H]1OCCC[C@@H]1[NH2+]Cc1cn2ccc(Br)cc2n1 ZINC000289495607 563676544 /nfs/dbraw/zinc/67/65/44/563676544.db2.gz LKSHKECULITGCN-HOCLYGCPSA-N 1 0 390.285 2.840 20 0 GFADRO Brc1c(CN2CCC[C@H](C[NH+]3CCOCC3)C2)nc2ccccn21 ZINC000289557157 563678734 /nfs/dbraw/zinc/67/87/34/563678734.db2.gz GQZJIZGRLKGDDG-OAHLLOKOSA-N 1 0 393.329 2.641 20 0 GFADRO C[C@@H]1[C@H](N2CCOCC2)CC[N@@H+]1C[C@@H](O)COc1ccc(Cl)cc1Cl ZINC000289653260 563682256 /nfs/dbraw/zinc/68/22/56/563682256.db2.gz DVJYSDPVAYGCDU-FRFSOERESA-N 1 0 389.323 2.528 20 0 GFADRO COCC[N@H+](C)CCCNC(=O)NCc1cc(Cl)cc(Br)c1 ZINC000413142477 563683034 /nfs/dbraw/zinc/68/30/34/563683034.db2.gz YVMXAOHUDKHRFD-UHFFFAOYSA-N 1 0 392.725 2.870 20 0 GFADRO CN(CC[N@H+](C)C1CCN(C)CC1)Cc1cnc2ccc(Br)cn12 ZINC000289687528 563683382 /nfs/dbraw/zinc/68/33/82/563683382.db2.gz FHPGYTSOPHOCHS-UHFFFAOYSA-N 1 0 394.361 2.555 20 0 GFADRO COC(=O)[C@H]1CN(C(=O)N[C@H](C)c2cccc(Cl)c2Cl)CC[N@H+](C)C1 ZINC000413285987 563688289 /nfs/dbraw/zinc/68/82/89/563688289.db2.gz YMAWGBIXJSWQFX-VXGBXAGGSA-N 1 0 388.295 2.801 20 0 GFADRO C[N@@H+]1C[C@H](NC(=O)c2cc(Br)ccc2O)[C@H](c2ccccc2)C1 ZINC000437001271 563688318 /nfs/dbraw/zinc/68/83/18/563688318.db2.gz CJKSERQHNCPHAE-HOTGVXAUSA-N 1 0 375.266 2.982 20 0 GFADRO Brc1ccccc1-n1cc(CNC2CC[NH+](C3CC3)CC2)nn1 ZINC000289915309 563691381 /nfs/dbraw/zinc/69/13/81/563691381.db2.gz OFHUPYSMZCMBRP-UHFFFAOYSA-N 1 0 376.302 2.746 20 0 GFADRO COCC[C@H]([NH2+]C1CCN(S(=O)(=O)c2cccs2)CC1)c1ccco1 ZINC000360642608 563693627 /nfs/dbraw/zinc/69/36/27/563693627.db2.gz PSEJTTCHIWZBKE-HNNXBMFYSA-N 1 0 384.523 2.862 20 0 GFADRO CN(C(=O)c1cccc(Br)n1)C1CC[NH+](C2CCOCC2)CC1 ZINC000360809624 563695429 /nfs/dbraw/zinc/69/54/29/563695429.db2.gz HWQIINJNQDWYDF-UHFFFAOYSA-N 1 0 382.302 2.560 20 0 GFADRO COC(=O)[C@H]1CN(c2ccc3cc(Br)ccc3n2)CC[N@H+](C)C1 ZINC000413504073 563695460 /nfs/dbraw/zinc/69/54/60/563695460.db2.gz UCTCWJWQUPJFPX-CYBMUJFWSA-N 1 0 378.270 2.538 20 0 GFADRO CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@H+](Cc2cnc([C@@H](C)O)s2)C1 ZINC000290114666 563698671 /nfs/dbraw/zinc/69/86/71/563698671.db2.gz SZCXXWPFBBYPPZ-NEPJUHHUSA-N 1 0 379.448 2.819 20 0 GFADRO CS[C@@H]1CN(C(=O)[C@@H](C)Oc2ccc(C(F)(F)F)cc2)C[C@@H]1[NH+](C)C ZINC000438130193 563702045 /nfs/dbraw/zinc/70/20/45/563702045.db2.gz LLWGEPHPUGXYDE-BYCMXARLSA-N 1 0 376.444 2.977 20 0 GFADRO CCOC(=O)C[C@H](NC(=O)[C@H](CC)[NH+](C)C)c1cccc(Br)c1 ZINC000413716221 563703085 /nfs/dbraw/zinc/70/30/85/563703085.db2.gz OGXURRXHAOMXHJ-GJZGRUSLSA-N 1 0 385.302 2.900 20 0 GFADRO O=C1[C@@H]([NH2+][C@H]2CCc3c2cc(Br)cc3F)CCN1C1CCOCC1 ZINC000362303221 563705539 /nfs/dbraw/zinc/70/55/39/563705539.db2.gz JSMURCCPRWCNBI-IRXDYDNUSA-N 1 0 397.288 2.945 20 0 GFADRO CC[C@H](C(=O)N(CCn1ccnc1)Cc1ccc(Br)o1)[NH+](C)C ZINC000413808451 563706444 /nfs/dbraw/zinc/70/64/44/563706444.db2.gz ROXGFAMOBJBXJF-CQSZACIVSA-N 1 0 383.290 2.608 20 0 GFADRO C[N@@H+]1CCC[C@@H]1CCN1CCC(NS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000362409263 563707201 /nfs/dbraw/zinc/70/72/01/563707201.db2.gz ZPEHDQVHIJVLFK-QGZVFWFLSA-N 1 0 385.961 2.567 20 0 GFADRO COc1cc(Br)c(C[NH2+][C@H]2CCc3nc(C)ncc3C2)cc1O ZINC000362951248 563711328 /nfs/dbraw/zinc/71/13/28/563711328.db2.gz DSGTUHXQRDSHPF-ZDUSSCGKSA-N 1 0 378.270 2.909 20 0 GFADRO O[C@@H](C[NH+]1CCC(c2nnc3n2CCC3)CC1)c1cccc(Br)c1 ZINC000363023971 563712518 /nfs/dbraw/zinc/71/25/18/563712518.db2.gz YRZGOSPKFBESOI-INIZCTEOSA-N 1 0 391.313 2.900 20 0 GFADRO O=C(C[C@@H]1Sc2ccc(Cl)cc2NC1=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000363020825 563712903 /nfs/dbraw/zinc/71/29/03/563712903.db2.gz VPGPSLMNAQEBMB-ZENOOKHLSA-N 1 0 379.913 2.886 20 0 GFADRO C[C@H](C[C@H](O)c1cccs1)[NH2+][C@@H]1CCCc2ccc(S(N)(=O)=O)cc21 ZINC000290630613 563716238 /nfs/dbraw/zinc/71/62/38/563716238.db2.gz IYJOSPFKQNTIHL-JLZZUVOBSA-N 1 0 380.535 2.875 20 0 GFADRO O[C@H](COc1ccc(Br)cc1)C[N@@H+]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000439140268 563718088 /nfs/dbraw/zinc/71/80/88/563718088.db2.gz HOCHWTWPEJYWHR-ZOBUZTSGSA-N 1 0 384.314 2.937 20 0 GFADRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)N[C@@H](C)Cn1cc(Br)ccc1=O ZINC000414069993 563718116 /nfs/dbraw/zinc/71/81/16/563718116.db2.gz KTTVRILAIOVQPD-QXSJWSMHSA-N 1 0 384.362 2.955 20 0 GFADRO C[C@@H]([NH2+]CCCNS(=O)(=O)c1ccccc1Br)[C@H]1C[C@H]1C ZINC000414138364 563720472 /nfs/dbraw/zinc/72/04/72/563720472.db2.gz GRVQUHNQZJRJJN-UPJWGTAASA-N 1 0 375.332 2.752 20 0 GFADRO CN(C)S(=O)(=O)n1ccnc1CN[C@@H](c1ccc(Cl)cc1)C1CCC1 ZINC000290783278 563721407 /nfs/dbraw/zinc/72/14/07/563721407.db2.gz CMENPNHVPHRWIW-QGZVFWFLSA-N 1 0 382.917 2.822 20 0 GFADRO Brc1ccc2c(c1)CC[C@@H]2[NH2+]CC1(N2CCOCC2)CCOCC1 ZINC000414197166 563721721 /nfs/dbraw/zinc/72/17/21/563721721.db2.gz XQUZYCJMVZFNLI-SFHVURJKSA-N 1 0 395.341 2.907 20 0 GFADRO CC[N@@H+](Cc1ccccc1Br)C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000439323032 563723157 /nfs/dbraw/zinc/72/31/57/563723157.db2.gz QUVVTRIHSBACMT-CQSZACIVSA-N 1 0 389.359 2.943 20 0 GFADRO C[C@H](Cc1cccs1)[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000414265366 563723864 /nfs/dbraw/zinc/72/38/64/563723864.db2.gz LKRBHJOBTUZJFL-SNVBAGLBSA-N 1 0 389.340 2.879 20 0 GFADRO CCOC(=O)C[C@H](C)[N@H+](C)C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000439432403 563724370 /nfs/dbraw/zinc/72/43/70/563724370.db2.gz TWILAUUPLDEMJR-SMDDNHRTSA-N 1 0 392.265 2.601 20 0 GFADRO C[C@]1(CCCO)CCC[N@@H+]1C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000439434929 563724477 /nfs/dbraw/zinc/72/44/77/563724477.db2.gz FXEADTZJHUYQCC-NVXWUHKLSA-N 1 0 390.293 2.955 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+][C@@H]2CCc3ccccc3C2)cc1Br ZINC000414272544 563724571 /nfs/dbraw/zinc/72/45/71/563724571.db2.gz XNWVIWHHANHBMI-OAHLLOKOSA-N 1 0 395.322 2.744 20 0 GFADRO C[C@@H]1[C@H](N2CCOCC2)CCN1C(=O)C1(c2ccc(Br)cc2)CC1 ZINC000290891539 563724838 /nfs/dbraw/zinc/72/48/38/563724838.db2.gz KEGFGWLNUCQJET-RHSMWYFYSA-N 1 0 393.325 2.802 20 0 GFADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@H](CO)c1ccc(F)cc1 ZINC000414290355 563725138 /nfs/dbraw/zinc/72/51/38/563725138.db2.gz NKWGMADVRYQVJY-TZMCWYRMSA-N 1 0 383.261 2.504 20 0 GFADRO Cc1ccccc1OCC[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000414300583 563725323 /nfs/dbraw/zinc/72/53/23/563725323.db2.gz APBOGVVIXCXJAL-UHFFFAOYSA-N 1 0 399.310 2.574 20 0 GFADRO C[C@@H](c1cnn(C)c1)[N@H+](C)C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000439448364 563725313 /nfs/dbraw/zinc/72/53/13/563725313.db2.gz GSACDSMCWSBWQT-XHDPSFHLSA-N 1 0 386.265 2.754 20 0 GFADRO Cc1c([C@H](C)[NH2+]C[C@@H](O)COc2cc(F)cc(Br)c2)cnn1C ZINC000439454501 563725577 /nfs/dbraw/zinc/72/55/77/563725577.db2.gz RRHXRHCONJDAIE-IINYFYTJSA-N 1 0 386.265 2.721 20 0 GFADRO C[C@H](c1cnn(C)c1)[N@H+](C)C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000439448361 563725901 /nfs/dbraw/zinc/72/59/01/563725901.db2.gz GSACDSMCWSBWQT-IAQYHMDHSA-N 1 0 386.265 2.754 20 0 GFADRO O=S(=O)(N1CCC([NH2+]Cc2ccnc(Cl)c2Cl)CC1)C(F)(F)F ZINC000290915334 563726545 /nfs/dbraw/zinc/72/65/45/563726545.db2.gz PWIJNWXEIAXBBV-UHFFFAOYSA-N 1 0 392.230 2.792 20 0 GFADRO CCOc1c(Cl)cc(NC(=O)C(=O)NCC[NH2+]C(C)(C)C)cc1Cl ZINC000439544061 563728237 /nfs/dbraw/zinc/72/82/37/563728237.db2.gz CGHSYTARSIPBAI-UHFFFAOYSA-N 1 0 376.284 2.835 20 0 GFADRO COC(=O)CN1CCC([NH2+][C@H]2C[C@H](c3ccc(Br)cc3)C2)CC1 ZINC000291027118 563729990 /nfs/dbraw/zinc/72/99/90/563729990.db2.gz AYTDKJOBASBUMN-CZIWCDLHSA-N 1 0 381.314 2.922 20 0 GFADRO CN1C(=O)C[C@H]([NH2+]Cc2ccc(S(C)(=O)=O)s2)[C@H]1c1ccc(Cl)cc1 ZINC000414372245 563730996 /nfs/dbraw/zinc/73/09/96/563730996.db2.gz ZJRVAQCSTQHVHG-WMLDXEAASA-N 1 0 398.937 2.867 20 0 GFADRO COC(=O)c1ccc(S(=O)(=O)N[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)c(Cl)c1 ZINC000440100492 563736358 /nfs/dbraw/zinc/73/63/58/563736358.db2.gz RPOQSZXEARSYFN-OLZOCXBDSA-N 1 0 388.917 2.525 20 0 GFADRO O=S(=O)(CC[NH2+]C1CCN(CCC(F)(F)F)CC1)Cc1ccccc1 ZINC000291255785 563737091 /nfs/dbraw/zinc/73/70/91/563737091.db2.gz WLORWMQZZJNPDP-UHFFFAOYSA-N 1 0 378.460 2.608 20 0 GFADRO O=C(NCc1cc(F)cc(Br)c1)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000363984567 563739023 /nfs/dbraw/zinc/73/90/23/563739023.db2.gz UMHJEGSMHDRWOV-CQSZACIVSA-N 1 0 381.249 2.639 20 0 GFADRO CCOc1ccc(S(=O)(=O)N[C@@H](C)[C@@H]2CCC[NH2+]C2)cc1Br ZINC000440335600 563739163 /nfs/dbraw/zinc/73/91/63/563739163.db2.gz GGTCJRZTBNQPDM-NWDGAFQWSA-N 1 0 391.331 2.514 20 0 GFADRO C[C@@H](C(=O)NCCN1CC[N@H+](C)C(C)(C)C1)c1cccc(Br)c1 ZINC000291450386 563743946 /nfs/dbraw/zinc/74/39/46/563743946.db2.gz LCUNICACEJLYMY-CQSZACIVSA-N 1 0 382.346 2.695 20 0 GFADRO COC[C@](C)(CC(=O)OC)[NH2+]CC[S@](=O)c1cc(Cl)ccc1Cl ZINC000440549393 563744610 /nfs/dbraw/zinc/74/46/10/563744610.db2.gz HCLHMLCOEOBEBV-WNSKOXEYSA-N 1 0 382.309 2.659 20 0 GFADRO CC(C)(O)C[N@@H+]1CCCN(C(=O)[C@@H]2C[C@H]2c2cccc(Br)c2)CC1 ZINC000364157911 563744835 /nfs/dbraw/zinc/74/48/35/563744835.db2.gz BFYVIVVOYAYQFW-DLBZAZTESA-N 1 0 395.341 2.858 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C[N@H+]1CC[C@@H](C(=O)N(C)C)C1 ZINC000414502765 563745386 /nfs/dbraw/zinc/74/53/86/563745386.db2.gz UZTNOIAETDMTSL-CQSZACIVSA-N 1 0 391.313 2.853 20 0 GFADRO CN(CC[N@H+](C)C1CCN(C)CC1)Cc1cn2ccc(Br)cc2n1 ZINC000291554053 563747510 /nfs/dbraw/zinc/74/75/10/563747510.db2.gz MMJAYPPYDKTDPK-UHFFFAOYSA-N 1 0 394.361 2.555 20 0 GFADRO [NH3+][C@@H]1CCC[C@]12CCN(C(=O)c1c(F)cccc1I)C2 ZINC000364264002 563747640 /nfs/dbraw/zinc/74/76/40/563747640.db2.gz XVKRGBRXJKIVJJ-IUODEOHRSA-N 1 0 388.224 2.774 20 0 GFADRO CC[C@](C[NH2+]Cc1c(Br)cnn1C)(C(=O)OC)c1ccccc1 ZINC000414593235 563747898 /nfs/dbraw/zinc/74/78/98/563747898.db2.gz VTVXMOWPKURHHJ-QGZVFWFLSA-N 1 0 380.286 2.793 20 0 GFADRO C[C@H]1C[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)c2ccsc2S1(=O)=O ZINC000291558263 563748017 /nfs/dbraw/zinc/74/80/17/563748017.db2.gz NRTXJOUXSUDRAG-LRDDRELGSA-N 1 0 378.519 2.847 20 0 GFADRO [NH3+]CC1CCN(S(=O)(=O)c2cc(Cl)c(Br)cc2F)CC1 ZINC000440730894 563748796 /nfs/dbraw/zinc/74/87/96/563748796.db2.gz BSALSWYIEWZNED-UHFFFAOYSA-N 1 0 385.686 2.601 20 0 GFADRO [NH3+]C[C@@H]1CCCN(S(=O)(=O)c2ccc3cc(Br)ccc3c2)C1 ZINC000440730413 563749087 /nfs/dbraw/zinc/74/90/87/563749087.db2.gz HXFDZNPPVMZJCF-LBPRGKRZSA-N 1 0 383.311 2.962 20 0 GFADRO C[C@@H]1CN(C(=O)NCCc2ccc(Cl)s2)CCN1C1CC[NH+](C)CC1 ZINC000364306024 563749259 /nfs/dbraw/zinc/74/92/59/563749259.db2.gz QUKACRDQGCQFDZ-CQSZACIVSA-N 1 0 384.977 2.754 20 0 GFADRO C[C@H]1CCCN(S(=O)(=O)c2cccc(Cl)c2Br)[C@@H]1C[NH3+] ZINC000440754436 563749760 /nfs/dbraw/zinc/74/97/60/563749760.db2.gz NVNVCQTWTMFULG-GXSJLCMTSA-N 1 0 381.723 2.850 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)Nc1nnc(SCc2ccccc2)s1 ZINC000414698289 563749984 /nfs/dbraw/zinc/74/99/84/563749984.db2.gz CWCNZCNKACIMHN-GXTWGEPZSA-N 1 0 377.539 3.564 20 0 GFADRO COCC[NH2+]CCNC(=O)Nc1ccc(Br)c(C(F)(F)F)c1 ZINC000414719513 563751141 /nfs/dbraw/zinc/75/11/41/563751141.db2.gz YRWGTOKRCIJMAG-UHFFFAOYSA-N 1 0 384.196 2.825 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H]2CN(S(=O)(=O)c3cc(Cl)ccc3Br)C[C@H]21 ZINC000440841179 563751641 /nfs/dbraw/zinc/75/16/41/563751641.db2.gz HHNYVNUDAAAXPJ-IRUJWGPZSA-N 1 0 393.734 2.850 20 0 GFADRO COc1ccc([C@@H]2CC[NH2+]C[C@H]2NS(=O)(=O)c2ccc(Cl)s2)cc1 ZINC000440860982 563752554 /nfs/dbraw/zinc/75/25/54/563752554.db2.gz HBUPOIJMVYSFRY-UONOGXRCSA-N 1 0 386.926 2.834 20 0 GFADRO Cc1cc(Br)ccc1C(=O)N1CCC([NH2+][C@H](CN)C2CC2)CC1 ZINC000414798916 563752655 /nfs/dbraw/zinc/75/26/55/563752655.db2.gz COABXDYSCVVCEV-QGZVFWFLSA-N 1 0 380.330 2.689 20 0 GFADRO O=C(NC[C@H]1CCC[NH2+]1)Nc1ccc(I)cc1Cl ZINC000414789098 563752682 /nfs/dbraw/zinc/75/26/82/563752682.db2.gz DZEPPSMBLVKJCF-SECBINFHSA-N 1 0 379.629 2.818 20 0 GFADRO CC[NH2+]Cc1ccccc1NC(=O)C(=O)NCc1sccc1Br ZINC000414764884 563752715 /nfs/dbraw/zinc/75/27/15/563752715.db2.gz DWIBAAOZBXJFGD-UHFFFAOYSA-N 1 0 396.310 2.875 20 0 GFADRO COCC[NH2+]CCNC(=O)Nc1cc(Br)ccc1Br ZINC000414774956 563752924 /nfs/dbraw/zinc/75/29/24/563752924.db2.gz CFKKQLUNVWZXQF-UHFFFAOYSA-N 1 0 395.095 2.569 20 0 GFADRO [NH3+][C@@H]1CCC[C@H](NC(=O)Nc2cc(Br)ccc2N2CCOCC2)C1 ZINC000414928832 563754285 /nfs/dbraw/zinc/75/42/85/563754285.db2.gz NMQIXVLPWFUYPO-KGLIPLIRSA-N 1 0 397.317 2.677 20 0 GFADRO CCOc1cc(CNC[C@@]2(COC)CCC[NH2+]2)cc(Br)c1OC ZINC000414938251 563754535 /nfs/dbraw/zinc/75/45/35/563754535.db2.gz DYYWBYOXMDYFNC-QGZVFWFLSA-N 1 0 387.318 2.715 20 0 GFADRO CC1(NC(=O)Nc2cc(Br)ccc2N2CCOCC2)CC[NH2+]CC1 ZINC000414931708 563754617 /nfs/dbraw/zinc/75/46/17/563754617.db2.gz RRPWLSWFXYWZJW-UHFFFAOYSA-N 1 0 397.317 2.549 20 0 GFADRO C[C@@H](C(=O)NCC1CC[NH+](CCN(C)C)CC1)c1cccc(Br)c1 ZINC000291717579 563754930 /nfs/dbraw/zinc/75/49/30/563754930.db2.gz PLKRYMHNTCKSCW-OAHLLOKOSA-N 1 0 396.373 2.942 20 0 GFADRO CCOC(=O)CNC(=O)C1CC[NH+]([C@@H](C)c2ccccc2Br)CC1 ZINC000441089585 563754934 /nfs/dbraw/zinc/75/49/34/563754934.db2.gz LDOVPEAFLGULMT-ZDUSSCGKSA-N 1 0 397.313 2.901 20 0 GFADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H](C)c3cccc(Br)c3)C2)CC1 ZINC000291721143 563755691 /nfs/dbraw/zinc/75/56/91/563755691.db2.gz PUGLWRVEAYGAPE-MAUKXSAKSA-N 1 0 394.357 2.791 20 0 GFADRO Cc1ccc(NC(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)cc1Br ZINC000441317451 563756900 /nfs/dbraw/zinc/75/69/00/563756900.db2.gz KRMJLYHNWKQGJB-UHFFFAOYSA-N 1 0 383.334 2.905 20 0 GFADRO COCCn1cc(C[NH2+][C@@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)cn1 ZINC000364547771 563756991 /nfs/dbraw/zinc/75/69/91/563756991.db2.gz YFIRZPSDACZOBQ-OAHLLOKOSA-N 1 0 383.279 2.731 20 0 GFADRO NS(=O)(=O)c1ccc(OCC[N@@H+]2CCS[C@H](c3ccccc3)C2)cc1 ZINC000364556876 563757490 /nfs/dbraw/zinc/75/74/90/563757490.db2.gz KYBIPZJLMOADKB-SFHVURJKSA-N 1 0 378.519 2.503 20 0 GFADRO [NH3+]CC[C@H](NCc1ncc(Br)cc1Br)C(F)(F)F ZINC000415062580 563757822 /nfs/dbraw/zinc/75/78/22/563757822.db2.gz YQCDVUKRAAHDQH-VIFPVBQESA-N 1 0 391.029 2.976 20 0 GFADRO CCCC[C@@H](C[NH3+])NC(=O)Nc1cc(OC)ccc1I ZINC000415069102 563757984 /nfs/dbraw/zinc/75/79/84/563757984.db2.gz FYGGKSHMBOAOSE-JTQLQIEISA-N 1 0 391.253 2.939 20 0 GFADRO CC(C)[C@H]1C[C@@H]([NH2+]CCNS(=O)(=O)c2ccc(Cl)cc2F)CCO1 ZINC000441338534 563758444 /nfs/dbraw/zinc/75/84/44/563758444.db2.gz FVXNYALZQKAJSL-DZGCQCFKSA-N 1 0 378.897 2.551 20 0 GFADRO COC(=O)c1ccc(S(=O)(=O)NCCC[NH+]2CCC(C)CC2)cc1Cl ZINC000441365921 563759386 /nfs/dbraw/zinc/75/93/86/563759386.db2.gz MDNZYIFQLBVURK-UHFFFAOYSA-N 1 0 388.917 2.527 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)c(C)c1CN1CCCO[C@H](C[NH3+])C1 ZINC000415109662 563759790 /nfs/dbraw/zinc/75/97/90/563759790.db2.gz NUBNETIVQYKCKT-QGZVFWFLSA-N 1 0 393.329 2.801 20 0 GFADRO C[NH2+]C[C@@H]1CCCN1C(=O)Nc1cc(Br)ccc1-n1cccn1 ZINC000415156800 563761299 /nfs/dbraw/zinc/76/12/99/563761299.db2.gz GUIPGTWTKULMKN-ZDUSSCGKSA-N 1 0 378.274 2.851 20 0 GFADRO OC1(C[NH+]2CCOCC2)CCN(CCOc2ccc(Cl)cc2Cl)CC1 ZINC000364722108 563762536 /nfs/dbraw/zinc/76/25/36/563762536.db2.gz JRADXZWGJLZKFC-UHFFFAOYSA-N 1 0 389.323 2.531 20 0 GFADRO Cc1cc(NC(=O)[C@H](C)N2CCC[C@]3(CNC(=O)O3)C2)ccc1Br ZINC000364797677 563764046 /nfs/dbraw/zinc/76/40/46/563764046.db2.gz XVYDILVNPWZJHJ-SJCJKPOMSA-N 1 0 396.285 2.659 20 0 GFADRO O=C(Nc1cccc(Cl)c1SCC(F)F)C(=O)NC1CC[NH2+]CC1 ZINC000415270387 563764791 /nfs/dbraw/zinc/76/47/91/563764791.db2.gz OHYMJGJNPOHYSA-UHFFFAOYSA-N 1 0 377.844 2.504 20 0 GFADRO C[NH2+]C[C@@H](C)CNC(=O)Nc1cc(I)ccc1Cl ZINC000415270770 563765017 /nfs/dbraw/zinc/76/50/17/563765017.db2.gz RABCMSFDOZKRFB-MRVPVSSYSA-N 1 0 381.645 2.922 20 0 GFADRO Cc1ccc(Br)c(NC(=O)C(=O)NCC2([NH3+])CCCCCC2)c1 ZINC000415315925 563766844 /nfs/dbraw/zinc/76/68/44/563766844.db2.gz MTBWSQFGGVEYQO-UHFFFAOYSA-N 1 0 382.302 2.864 20 0 GFADRO O=C(Nc1ccc(CCn2cc(Br)cn2)cc1)[C@@]1(F)CC[NH2+]C1 ZINC000364871216 563767226 /nfs/dbraw/zinc/76/72/26/563767226.db2.gz YRGOWWGIBPBDLV-MRXNPFEDSA-N 1 0 381.249 2.528 20 0 GFADRO COC(=O)c1cc(Br)ccc1NC(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000415327309 563767375 /nfs/dbraw/zinc/76/73/75/563767375.db2.gz IFBJFEOYXURIOU-ZLKJLUDKSA-N 1 0 396.285 2.827 20 0 GFADRO CCOC(=O)c1c(NC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)sc2c1CCSC2 ZINC000415334077 563767463 /nfs/dbraw/zinc/76/74/63/563767463.db2.gz JQHCTVKZESUPKF-PWSUYJOCSA-N 1 0 381.523 2.540 20 0 GFADRO COC(=O)c1c(NC(=O)N[C@H](CC[NH3+])C(F)F)sc2c1CCCCC2 ZINC000415343060 563768139 /nfs/dbraw/zinc/76/81/39/563768139.db2.gz SBQYUQMZNGTECN-SNVBAGLBSA-N 1 0 375.441 2.908 20 0 GFADRO CCOC(=O)c1cc(Br)ccc1NC(=O)NC[C@H]1CCC[NH2+]C1 ZINC000415342479 563768161 /nfs/dbraw/zinc/76/81/61/563768161.db2.gz ABAUWMQYWGSSIN-NSHDSACASA-N 1 0 384.274 2.747 20 0 GFADRO [NH3+][C@H]1CN(S(=O)(=O)c2ccc(Cl)nc2Cl)C[C@H]1c1ccc(F)cc1 ZINC000364911085 563768910 /nfs/dbraw/zinc/76/89/10/563768910.db2.gz GUHHCUSYHVLWRK-RYUDHWBXSA-N 1 0 390.267 2.643 20 0 GFADRO Cc1cc(S(=O)(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)sc1Br ZINC000292001041 563769162 /nfs/dbraw/zinc/76/91/62/563769162.db2.gz LNSAXMAYNUYKFP-CYBMUJFWSA-N 1 0 379.345 2.535 20 0 GFADRO O=C(NCCC[NH2+]C1CC1)Nc1cnn(-c2ccccc2Br)c1 ZINC000415353196 563769439 /nfs/dbraw/zinc/76/94/39/563769439.db2.gz MDAXABOSGXEFLM-UHFFFAOYSA-N 1 0 378.274 2.898 20 0 GFADRO [NH3+]C[C@H]1CC[C@@H](NC(=O)Nc2cnn(-c3ccccc3Br)c2)C1 ZINC000415357893 563770214 /nfs/dbraw/zinc/77/02/14/563770214.db2.gz SLSSFDSDKBZWCW-NWDGAFQWSA-N 1 0 378.274 2.884 20 0 GFADRO C[C@H](O)[C@H]1CC[N@H+](CC(=O)N2CCc3sccc3[C@@H]2c2cccs2)C1 ZINC000365023528 563771826 /nfs/dbraw/zinc/77/18/26/563771826.db2.gz ZSCHHYHLLIDDHU-CKFHNAJUSA-N 1 0 376.547 2.986 20 0 GFADRO C[C@H](c1ccccc1)[C@H]([NH2+]C[C@@H](O)c1ccccc1Br)C(N)=O ZINC000292063852 563772044 /nfs/dbraw/zinc/77/20/44/563772044.db2.gz CFQHQHMKJQQPES-JLZZUVOBSA-N 1 0 377.282 2.730 20 0 GFADRO Cc1cc(F)c(NC(=O)N[C@H]2CCC[C@H]2C[NH3+])c(I)c1 ZINC000415385487 563772140 /nfs/dbraw/zinc/77/21/40/563772140.db2.gz FCXYTURABCMOHP-CABZTGNLSA-N 1 0 391.228 2.988 20 0 GFADRO CCC[NH2+]CCNC(=O)Nc1c(F)cc(C)cc1I ZINC000415398497 563772853 /nfs/dbraw/zinc/77/28/53/563772853.db2.gz WXNNOOMVLWYUQM-UHFFFAOYSA-N 1 0 379.217 2.860 20 0 GFADRO C[C@@H]1CN(C(=O)C(=O)Nc2cc(Cl)ccc2SCC(F)(F)F)CC[NH2+]1 ZINC000415407209 563772993 /nfs/dbraw/zinc/77/29/93/563772993.db2.gz ATMLPFSEGXKJOX-SECBINFHSA-N 1 0 395.834 2.753 20 0 GFADRO C[NH2+]C[C@H](C)CNC(=O)C(=O)Nc1cccc(Cl)c1SCC(F)F ZINC000415413139 563773659 /nfs/dbraw/zinc/77/36/59/563773659.db2.gz IJMBZAUXTYZUFN-VIFPVBQESA-N 1 0 379.860 2.607 20 0 GFADRO COC(=O)c1cc(NC(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)ccc1Br ZINC000415409785 563773740 /nfs/dbraw/zinc/77/37/40/563773740.db2.gz UAXDFHOOJGREFA-QWRGUYRKSA-N 1 0 384.274 2.827 20 0 GFADRO [NH3+][C@@H]1CCC[C@]12CCN(C(=O)c1cnn(-c3cccc(Br)c3)c1)C2 ZINC000365106667 563774015 /nfs/dbraw/zinc/77/40/15/563774015.db2.gz VXEBLTDWQGUMOI-SJLPKXTDSA-N 1 0 389.297 2.978 20 0 GFADRO [NH3+][C@@H]1CCC[C@]12CCN(C(=O)/C=C/c1ccc(I)o1)C2 ZINC000365094857 563774118 /nfs/dbraw/zinc/77/41/18/563774118.db2.gz PFGGYRLRHTTXCR-YABQJVKDSA-N 1 0 386.233 2.627 20 0 GFADRO COc1c(Cl)cc(NC(=O)C(=O)N[C@@H](C[NH3+])C2CCCCC2)cc1Cl ZINC000415423495 563774170 /nfs/dbraw/zinc/77/41/70/563774170.db2.gz GUDBLINKTSEYJY-AWEZNQCLSA-N 1 0 388.295 2.964 20 0 GFADRO C[N@@H+]1CCC[C@H]2CN(C(=O)NCCCCn3cc(Br)cn3)CC[C@@H]21 ZINC000365113268 563774815 /nfs/dbraw/zinc/77/48/15/563774815.db2.gz VNZWDLHQMXNMKN-HOCLYGCPSA-N 1 0 398.349 2.552 20 0 GFADRO C[C@H]1CN(C(=O)C(=O)Nc2ccc(Br)c(Cl)c2Cl)CC[NH2+]1 ZINC000415432974 563775658 /nfs/dbraw/zinc/77/56/58/563775658.db2.gz LYEOALKMWDLTDS-ZETCQYMHSA-N 1 0 395.084 2.515 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)c(Br)c1 ZINC000415458213 563777090 /nfs/dbraw/zinc/77/70/90/563777090.db2.gz YCEHDGLEORPKLC-CHWSQXEVSA-N 1 0 382.302 2.590 20 0 GFADRO C[C@@H](C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1)c1cccc(Br)c1 ZINC000292186933 563777401 /nfs/dbraw/zinc/77/74/01/563777401.db2.gz QOGYGBMIKJTINN-CABCVRRESA-N 1 0 381.314 2.733 20 0 GFADRO COC(=O)c1cc(Br)c(F)cc1NC(=O)NC1CCC([NH3+])CC1 ZINC000415467170 563777578 /nfs/dbraw/zinc/77/75/78/563777578.db2.gz HZABPVRFELXHCT-UHFFFAOYSA-N 1 0 388.237 2.766 20 0 GFADRO COC(=O)c1cc(Br)c(F)cc1NC(=O)N1C[C@H](C[NH3+])C[C@H]1C ZINC000415470110 563777649 /nfs/dbraw/zinc/77/76/49/563777649.db2.gz NKDSMDLHIQLVSF-BDAKNGLRSA-N 1 0 388.237 2.576 20 0 GFADRO Cc1c(Cl)cc(NC(=O)C(=O)N2CCC(OCCC[NH3+])CC2)cc1Cl ZINC000415502780 563779387 /nfs/dbraw/zinc/77/93/87/563779387.db2.gz NWYFRAIDFCOYQJ-UHFFFAOYSA-N 1 0 388.295 2.597 20 0 GFADRO NC(=O)CN1CCCN(c2nnc(-c3cc(Cl)cc(Cl)c3)s2)CC1 ZINC000365271034 563779526 /nfs/dbraw/zinc/77/95/26/563779526.db2.gz VEWYQNVAPJHSEU-UHFFFAOYSA-N 1 0 386.308 2.509 20 0 GFADRO COCCC[N@@H+]1CCCN(C(=O)c2cc(Br)c(F)cc2F)CC1 ZINC000365293323 563780039 /nfs/dbraw/zinc/78/00/39/563780039.db2.gz SLJXKIZNHRUZPM-UHFFFAOYSA-N 1 0 391.256 2.912 20 0 GFADRO Cc1ccc(I)cc1NC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000415507204 563780170 /nfs/dbraw/zinc/78/01/70/563780170.db2.gz MMEVOOAIOZTARO-CYBMUJFWSA-N 1 0 385.249 2.958 20 0 GFADRO COCCNS(=O)(=O)c1ccc(C[NH2+]C2CCC(C(F)F)CC2)cc1 ZINC000442795862 563780331 /nfs/dbraw/zinc/78/03/31/563780331.db2.gz SEPKEOGCILJSQL-UHFFFAOYSA-N 1 0 376.469 2.525 20 0 GFADRO C[C@@H]1CN(C(=O)Nc2nnc(-c3c(F)cccc3Cl)s2)C[C@@]1(C)C[NH3+] ZINC000415511159 563780709 /nfs/dbraw/zinc/78/07/09/563780709.db2.gz NEKAVVMEVHTHIA-JDNHERCYSA-N 1 0 383.880 3.446 20 0 GFADRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)Nc1ccnn1Cc1ccccc1Br ZINC000415518950 563780714 /nfs/dbraw/zinc/78/07/14/563780714.db2.gz DJTVGHMLHRYUIT-IUODEOHRSA-N 1 0 392.301 2.813 20 0 GFADRO CCC[NH2+]CCNC(=O)C(=O)Nc1ccc(C(F)(F)F)cc1Br ZINC000415518837 563780737 /nfs/dbraw/zinc/78/07/37/563780737.db2.gz NSOMZBSLKIHQDX-UHFFFAOYSA-N 1 0 396.207 2.522 20 0 GFADRO Cc1ccc(NC(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)cc1Br ZINC000415517652 563780864 /nfs/dbraw/zinc/78/08/64/563780864.db2.gz LKYKWIBXIJXQQM-INIZCTEOSA-N 1 0 394.313 2.687 20 0 GFADRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)Nc1ccnn1Cc1ccccc1Br ZINC000415518949 563780899 /nfs/dbraw/zinc/78/08/99/563780899.db2.gz DJTVGHMLHRYUIT-DOMZBBRYSA-N 1 0 392.301 2.813 20 0 GFADRO Cc1cc(Br)cc(NC(=O)C(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)c1 ZINC000415514654 563780933 /nfs/dbraw/zinc/78/09/33/563780933.db2.gz GVSYNPMTMDWCKF-MRXNPFEDSA-N 1 0 394.313 2.687 20 0 GFADRO O=C(Nc1ccnn1Cc1cccc(Br)c1)N[C@@H]1CCC[NH2+]C1 ZINC000415526065 563782025 /nfs/dbraw/zinc/78/20/25/563782025.db2.gz IRNYHBNMJHRMJO-CQSZACIVSA-N 1 0 378.274 2.567 20 0 GFADRO CCO[C@@H]1C[C@H]([NH2+]CCNS(=O)(=O)c2ccc(Cl)cc2F)C12CCC2 ZINC000442876867 563782908 /nfs/dbraw/zinc/78/29/08/563782908.db2.gz YPAXOQSYEJIISM-JKSUJKDBSA-N 1 0 390.908 2.695 20 0 GFADRO COC(=O)c1cc(Br)cc(C(=O)NC2CC[NH+](C3CC3)CC2)c1 ZINC000292331305 563782921 /nfs/dbraw/zinc/78/29/21/563782921.db2.gz AUOSLPBVMYWUFI-UHFFFAOYSA-N 1 0 381.270 2.592 20 0 GFADRO [NH3+]C1(CNC(=O)Nc2ccnn2Cc2cccc(Br)c2)CCC1 ZINC000415530373 563783270 /nfs/dbraw/zinc/78/32/70/563783270.db2.gz VHXBDKSTNZTZRS-UHFFFAOYSA-N 1 0 378.274 2.697 20 0 GFADRO CCOc1ccc(NC(=O)N2CC[C@@H](OC)C[C@H]2C[NH3+])cc1Br ZINC000415540185 563783783 /nfs/dbraw/zinc/78/37/83/563783783.db2.gz XUMJLIFMYXIXAC-QWHCGFSZSA-N 1 0 386.290 2.818 20 0 GFADRO [NH3+][C@H](CNC(=O)C(=O)Nc1cc(Cl)ccc1SCC(F)(F)F)C1CC1 ZINC000415539705 563783837 /nfs/dbraw/zinc/78/38/37/563783837.db2.gz VNPHGPYAHYPPIY-SNVBAGLBSA-N 1 0 395.834 2.786 20 0 GFADRO C[NH2+]CCC1CCN(C(=O)C(=O)Nc2ccc(Br)cc2C)CC1 ZINC000415557186 563784401 /nfs/dbraw/zinc/78/44/01/563784401.db2.gz WMSALMOFHTYDLB-UHFFFAOYSA-N 1 0 382.302 2.544 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N2CCC3(C2)CC[NH2+]CC3)c(Br)c1 ZINC000415556301 563784468 /nfs/dbraw/zinc/78/44/68/563784468.db2.gz VRJCPFRZPGIAKL-UHFFFAOYSA-N 1 0 394.313 2.607 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)C(=O)Nc2ccc(-c3ccc(Cl)s3)nc2)C1 ZINC000415560442 563784622 /nfs/dbraw/zinc/78/46/22/563784622.db2.gz FRXOEABPBJUTHA-MNOVXSKESA-N 1 0 378.885 2.598 20 0 GFADRO C[C@@]1(CNC(=O)C(=O)Nc2cc(Cl)cc(Br)c2)CCC[NH2+]C1 ZINC000415573053 563785006 /nfs/dbraw/zinc/78/50/06/563785006.db2.gz PCCVDKBZIKGWEA-OAHLLOKOSA-N 1 0 388.693 2.547 20 0 GFADRO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(Br)c3ccccc23)[C@H](C)C[NH2+]1 ZINC000415572659 563785228 /nfs/dbraw/zinc/78/52/28/563785228.db2.gz UWQRXBSDJARAKA-VXGBXAGGSA-N 1 0 390.281 2.750 20 0 GFADRO COC(=O)c1c(Br)ccc(NC(=O)NC[C@H]2CCC[NH2+]C2)c1C ZINC000415591340 563785892 /nfs/dbraw/zinc/78/58/92/563785892.db2.gz AMGGTBBMPFGSHD-NSHDSACASA-N 1 0 384.274 2.665 20 0 GFADRO COC(=O)c1c(Br)ccc(NC(=O)N2C[C@@H](C)[NH2+]C[C@@H]2C)c1C ZINC000415599045 563786980 /nfs/dbraw/zinc/78/69/80/563786980.db2.gz LVAKZQDAFFVSHO-ZJUUUORDSA-N 1 0 384.274 2.758 20 0 GFADRO COC(=O)c1cc(NC(=O)N[C@@H]2CC[NH2+][C@H](C)C2)cc(Br)c1F ZINC000415604618 563787381 /nfs/dbraw/zinc/78/73/81/563787381.db2.gz GEZDUDRMERIFGZ-RKDXNWHRSA-N 1 0 388.237 2.637 20 0 GFADRO COC(=O)c1cc(NC(=O)N[C@@H]2CC[NH2+]C2(C)C)cc(Br)c1F ZINC000415614608 563788271 /nfs/dbraw/zinc/78/82/71/563788271.db2.gz PNEAYBMSVBDKKO-LLVKDONJSA-N 1 0 388.237 2.637 20 0 GFADRO CC(C)[C@H]([NH3+])CCN(C)C(=O)Nc1ccnn1-c1ccc(Br)cn1 ZINC000415630182 563788734 /nfs/dbraw/zinc/78/87/34/563788734.db2.gz CLOJXKHDGNRFKW-CYBMUJFWSA-N 1 0 395.305 2.867 20 0 GFADRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)Nc1cccc(Cl)c1SCC(F)F ZINC000415621947 563788840 /nfs/dbraw/zinc/78/88/40/563788840.db2.gz KIJZAMWPPSLGDZ-BXKDBHETSA-N 1 0 391.871 2.750 20 0 GFADRO C[C@@H]1CCN(C(=O)Nc2nnc(-c3ccc(Cl)cc3F)s2)C[C@@H]1C[NH3+] ZINC000415630389 563788925 /nfs/dbraw/zinc/78/89/25/563788925.db2.gz LDHLQQBYHAGBBX-ZJUUUORDSA-N 1 0 383.880 3.446 20 0 GFADRO O=C(Nc1nnc(-c2ccc(Cl)cc2F)s1)N[C@H]1C[NH2+]CCC1(F)F ZINC000415628108 563788948 /nfs/dbraw/zinc/78/89/48/563788948.db2.gz DNVYJJPJNIYLSN-JTQLQIEISA-N 1 0 391.806 3.116 20 0 GFADRO COC(=O)c1cc(F)c(Br)cc1NC(=O)N1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000415632222 563789525 /nfs/dbraw/zinc/78/95/25/563789525.db2.gz SLJURQGGJIRIAT-UFBFGSQYSA-N 1 0 388.237 2.576 20 0 GFADRO Cc1cc(Cl)cc(NC(=O)C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)c1Br ZINC000415642670 563790230 /nfs/dbraw/zinc/79/02/30/563790230.db2.gz IDMCFLAAMZPJMY-WDEREUQCSA-N 1 0 388.693 2.736 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N2CCC[C@H](CC[NH3+])C2)c(Br)c1 ZINC000415677296 563791473 /nfs/dbraw/zinc/79/14/73/563791473.db2.gz MNAXPYWSRIOWBV-CYBMUJFWSA-N 1 0 382.302 2.592 20 0 GFADRO CC(C)(CCC[NH3+])NC(=O)C(=O)Nc1cccc2cncc(Br)c21 ZINC000415755842 563794280 /nfs/dbraw/zinc/79/42/80/563794280.db2.gz GZYOQSRHKATUCU-UHFFFAOYSA-N 1 0 393.285 2.570 20 0 GFADRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)Nc1cc(Cl)ccc1I ZINC000415755197 563794305 /nfs/dbraw/zinc/79/43/05/563794305.db2.gz JJTSYFBGZIEEIO-XVKPBYJWSA-N 1 0 379.629 2.898 20 0 GFADRO COCC[N@@H+]1CC[C@H](NC(=O)N[C@H](C)c2ccc(Br)s2)C1 ZINC000443189256 563794842 /nfs/dbraw/zinc/79/48/42/563794842.db2.gz SAFAZDRIXCJLET-MNOVXSKESA-N 1 0 376.320 2.592 20 0 GFADRO O=C(NC[C@@H]1CCC[NH2+]1)Nc1cc(Cl)ccc1I ZINC000415762572 563795121 /nfs/dbraw/zinc/79/51/21/563795121.db2.gz WPJYSKZJYQQEQF-VIFPVBQESA-N 1 0 379.629 2.818 20 0 GFADRO COc1cc(I)ccc1NC(=O)N[C@H]1CC[NH2+]C1(C)C ZINC000415772850 563795595 /nfs/dbraw/zinc/79/55/95/563795595.db2.gz LBBGLDTWWIJTOO-LBPRGKRZSA-N 1 0 389.237 2.562 20 0 GFADRO C[NH2+][C@H]1CCCN(C(=O)Nc2ccc(I)cc2OC)C1 ZINC000415771525 563795767 /nfs/dbraw/zinc/79/57/67/563795767.db2.gz HVCUGOYQVLPRHC-NSHDSACASA-N 1 0 389.237 2.516 20 0 GFADRO COc1cc(I)ccc1NC(=O)N1CCCC[C@H]1C[NH3+] ZINC000415776326 563796286 /nfs/dbraw/zinc/79/62/86/563796286.db2.gz XCMWMIHIQIKEJH-NSHDSACASA-N 1 0 389.237 2.645 20 0 GFADRO O=C(Nc1cc(C(F)(F)F)ccc1Cl)C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000415776479 563796347 /nfs/dbraw/zinc/79/63/47/563796347.db2.gz HUSFHGJOPXYBQK-JOYOIKCWSA-N 1 0 375.778 2.508 20 0 GFADRO CC(C)Sc1ccc(Cl)cc1NC(=O)C(=O)N[C@H](CC[NH3+])C(F)F ZINC000415793085 563796801 /nfs/dbraw/zinc/79/68/01/563796801.db2.gz SZAKZQBXBGFEAK-SNVBAGLBSA-N 1 0 379.860 2.878 20 0 GFADRO [NH3+][C@H]1CCC[C@H](CNC(=O)C(=O)Nc2cc(Cl)ccc2Br)C1 ZINC000415805446 563797124 /nfs/dbraw/zinc/79/71/24/563797124.db2.gz JBSWFVKJUCWADU-ONGXEEELSA-N 1 0 388.693 2.675 20 0 GFADRO CCOc1c(Cl)cc(NC(=O)C(=O)N2CC[C@H](C)[C@@H](C[NH3+])C2)cc1Cl ZINC000415836915 563799175 /nfs/dbraw/zinc/79/91/75/563799175.db2.gz CGLUBVRLTNEGIQ-QWRGUYRKSA-N 1 0 388.295 2.774 20 0 GFADRO CC1(C)C[NH2+][C@H]1C1CCN(C(=O)C(=O)Nc2ccccc2Br)CC1 ZINC000415867953 563799503 /nfs/dbraw/zinc/79/95/03/563799503.db2.gz XMHBUOJSBUYECA-HNNXBMFYSA-N 1 0 394.313 2.624 20 0 GFADRO CC[NH2+]Cc1cccc(NC(=O)NCCCn2cc(Br)cn2)c1 ZINC000415935442 563800170 /nfs/dbraw/zinc/80/01/70/563800170.db2.gz RXKDZLUWIQJRRZ-UHFFFAOYSA-N 1 0 380.290 2.967 20 0 GFADRO [NH3+]Cc1ccc(NC(=O)NC[C@@H](CO)Cc2ccccc2Br)cc1 ZINC000415945476 563801397 /nfs/dbraw/zinc/80/13/97/563801397.db2.gz DCYMLYCHJZYAER-AWEZNQCLSA-N 1 0 392.297 2.881 20 0 GFADRO CC[C@@H](C)[C@@H](NC(=O)C[NH2+][C@H](C)c1ccc(Br)s1)C(=O)OC ZINC000443337646 563801686 /nfs/dbraw/zinc/80/16/86/563801686.db2.gz VLRKDEMIRUCKOI-GPCCPHFNSA-N 1 0 391.331 2.865 20 0 GFADRO CN(CCc1ccc(Br)cc1)C(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000416002769 563801823 /nfs/dbraw/zinc/80/18/23/563801823.db2.gz FVDSOYCOIFBALE-LBPRGKRZSA-N 1 0 382.224 2.913 20 0 GFADRO [NH3+]CC[C@H](NC(=O)N[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)C(F)(F)F ZINC000416034777 563802941 /nfs/dbraw/zinc/80/29/41/563802941.db2.gz UIYPOXXSWJJCRJ-AGIUHOORSA-N 1 0 383.773 2.888 20 0 GFADRO CCCC[N@H+](C)C[C@H](C)Nc1cnn(-c2ccccn2)c(=O)c1Br ZINC000293250605 563805406 /nfs/dbraw/zinc/80/54/06/563805406.db2.gz ZTZOFRVMYJVESH-ZDUSSCGKSA-N 1 0 394.317 2.922 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C2CCN(C(=O)c3ccc(Cl)s3)CC2)C1 ZINC000366344456 563806193 /nfs/dbraw/zinc/80/61/93/563806193.db2.gz FLQSYVFGYOUQFN-GXTWGEPZSA-N 1 0 383.945 2.840 20 0 GFADRO C[C@@H]1CN(Cc2csc(-c3ccc(S(C)(=O)=O)cc3)n2)C[C@H](C)[N@H+]1C ZINC000293273621 563806824 /nfs/dbraw/zinc/80/68/24/563806824.db2.gz CEPFHHAMMFAWEP-OKILXGFUSA-N 1 0 379.551 2.738 20 0 GFADRO COCC[N@@H+]1CC[C@@H](NC(=O)Cc2cc(Cl)c(Br)cc2F)C1 ZINC000416151677 563807338 /nfs/dbraw/zinc/80/73/38/563807338.db2.gz RRYWVDJPSRTAMB-LLVKDONJSA-N 1 0 393.684 2.621 20 0 GFADRO C[NH+](C)C1(CNC(=O)CSc2nnc(-c3cccs3)n2C2CC2)CC1 ZINC000416304042 563814154 /nfs/dbraw/zinc/81/41/54/563814154.db2.gz SQRGTXNURNVUEA-UHFFFAOYSA-N 1 0 377.539 2.644 20 0 GFADRO COCC[C@H](Cc1cccc(Br)c1)C(=O)NCC1([NH+](C)C)CC1 ZINC000416297546 563814323 /nfs/dbraw/zinc/81/43/23/563814323.db2.gz AKIIEYMYNWGSDU-OAHLLOKOSA-N 1 0 383.330 2.855 20 0 GFADRO O=C(Nc1ccc(Br)cc1)C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000366613999 563815527 /nfs/dbraw/zinc/81/55/27/563815527.db2.gz BOLNBAOYPBMZEM-UHFFFAOYSA-N 1 0 380.286 2.521 20 0 GFADRO COC(=O)c1c(Cl)cccc1S(=O)(=O)NC[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000416369116 563818258 /nfs/dbraw/zinc/81/82/58/563818258.db2.gz HVWUAEBUXHLMPQ-CHWSQXEVSA-N 1 0 388.917 2.525 20 0 GFADRO O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cnc2ccc(Br)cc2c1O ZINC000444029339 563818454 /nfs/dbraw/zinc/81/84/54/563818454.db2.gz BXPWBGYPFXXGQH-QWHCGFSZSA-N 1 0 390.281 2.647 20 0 GFADRO O=C(c1cn(-c2ccc(Br)cc2)cn1)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000366737623 563818578 /nfs/dbraw/zinc/81/85/78/563818578.db2.gz IDVUDFIVKVKKLK-MRXNPFEDSA-N 1 0 389.297 2.945 20 0 GFADRO CC[NH+](CC)CCOC1CCN(S(=O)(=O)c2ccccc2SC)CC1 ZINC000444075498 563820708 /nfs/dbraw/zinc/82/07/08/563820708.db2.gz PEUNYQACCTYBCV-UHFFFAOYSA-N 1 0 386.583 2.920 20 0 GFADRO Cc1cc(S(=O)(=O)N(C)CC[NH+]2CCCC2)c(F)cc1Br ZINC000416388691 563822045 /nfs/dbraw/zinc/82/20/45/563822045.db2.gz OMMJJGOXHYIWQJ-UHFFFAOYSA-N 1 0 379.295 2.613 20 0 GFADRO O=C(c1csc(I)c1)N1CCC[C@@H]2C[NH2+]CCC[C@H]21 ZINC000366877806 563822841 /nfs/dbraw/zinc/82/28/41/563822841.db2.gz ZZGCLQJVNOJTFG-ZYHUDNBSSA-N 1 0 390.290 2.957 20 0 GFADRO CCOC(=O)[C@@H](Cc1cc(Cl)cc(Cl)c1)NC(=O)c1coc(C[NH3+])c1 ZINC000444215087 563825011 /nfs/dbraw/zinc/82/50/11/563825011.db2.gz SHOOPEXBEDDTTR-OAHLLOKOSA-N 1 0 385.247 2.949 20 0 GFADRO CN(C)C(=O)c1ccccc1CNc1cc(N(C)C)c(Br)c[nH+]1 ZINC000416429147 563828007 /nfs/dbraw/zinc/82/80/07/563828007.db2.gz UTZXFBFOVMWKQQ-UHFFFAOYSA-N 1 0 377.286 3.224 20 0 GFADRO COC(=O)c1c(Cl)cccc1S(=O)(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000416439042 563828807 /nfs/dbraw/zinc/82/88/07/563828807.db2.gz BMDXWFHLAZXNDB-UHFFFAOYSA-N 1 0 388.917 2.525 20 0 GFADRO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@H]1CCC(=O)N[C@H]1C1CC1 ZINC000367065057 563829163 /nfs/dbraw/zinc/82/91/63/563829163.db2.gz DNECNJSLBABKTL-PSZVPEGOSA-N 1 0 394.313 2.813 20 0 GFADRO COC(=O)c1c(Cl)cccc1S(=O)(=O)NCC[C@H](C)[NH+]1CCCCC1 ZINC000416451470 563830181 /nfs/dbraw/zinc/83/01/81/563830181.db2.gz BFNGKWIXVLMJTD-ZDUSSCGKSA-N 1 0 388.917 2.669 20 0 GFADRO C[N@@H+]1CC[C@@]2(CCN(C(=O)c3c(O)cnc4c(Br)cccc43)C2)C1 ZINC000294027374 563830143 /nfs/dbraw/zinc/83/01/43/563830143.db2.gz ZMLSZDHZDKJJPR-GOSISDBHSA-N 1 0 390.281 2.871 20 0 GFADRO Cc1cc(S(=O)(=O)N(C)CC[N@H+](C)C2CC2)c(F)cc1Br ZINC000416464629 563832982 /nfs/dbraw/zinc/83/29/82/563832982.db2.gz ILTWKZHPDYOOOU-UHFFFAOYSA-N 1 0 379.295 2.611 20 0 GFADRO Cc1ccc(CCC(=O)N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)c(Br)c1 ZINC000444546377 563833352 /nfs/dbraw/zinc/83/33/52/563833352.db2.gz HXFWYFGDVVLIJC-HNNXBMFYSA-N 1 0 397.357 2.994 20 0 GFADRO Cc1ccc(CCC(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)c(Br)c1 ZINC000444546382 563833384 /nfs/dbraw/zinc/83/33/84/563833384.db2.gz HXFWYFGDVVLIJC-OAHLLOKOSA-N 1 0 397.357 2.994 20 0 GFADRO COC(=O)c1c(Cl)cccc1S(=O)(=O)N[C@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000416469285 563833520 /nfs/dbraw/zinc/83/35/20/563833520.db2.gz DCELDPVZDFPVQY-QWHCGFSZSA-N 1 0 388.917 2.525 20 0 GFADRO CCOC(=O)c1n[nH]c(C2CCN(Cc3ccnc(Br)c3)CC2)n1 ZINC000294214788 563834357 /nfs/dbraw/zinc/83/43/57/563834357.db2.gz RZIIQHQSLWCHOI-UHFFFAOYSA-N 1 0 394.273 2.519 20 0 GFADRO CC(C)[C@H]1CCC[N@H+](CC(=O)NCC(=O)Nc2ccccc2Br)C1 ZINC000444755417 563836895 /nfs/dbraw/zinc/83/68/95/563836895.db2.gz XNQFRSVVASMSDW-AWEZNQCLSA-N 1 0 396.329 2.872 20 0 GFADRO CCCN(CC[NH+]1CCCCC1)S(=O)(=O)c1c(C(F)F)c(C)nn1C ZINC000416488254 563837082 /nfs/dbraw/zinc/83/70/82/563837082.db2.gz NYLIVQNYSWGHQB-UHFFFAOYSA-N 1 0 378.489 2.553 20 0 GFADRO C[NH+]1CCN(CCCNC(=O)c2cc(Cl)c(Br)cc2F)CC1 ZINC000294299368 563837387 /nfs/dbraw/zinc/83/73/87/563837387.db2.gz GFZAJCPGVMOPKK-UHFFFAOYSA-N 1 0 392.700 2.609 20 0 GFADRO CS(=O)(=O)N1CC[C@H](C[NH2+][C@H](c2cccc(Cl)c2)c2ccccn2)C1 ZINC000367275007 563838976 /nfs/dbraw/zinc/83/89/76/563838976.db2.gz QTHBCCGMSKVUFH-RDTXWAMCSA-N 1 0 379.913 2.696 20 0 GFADRO COc1cc(Br)c(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)cc1OC ZINC000294341603 563839214 /nfs/dbraw/zinc/83/92/14/563839214.db2.gz FMIKTOBGJIUHTM-UONOGXRCSA-N 1 0 383.286 2.823 20 0 GFADRO CS(=O)(=O)N1CC[C@@H](C[N@@H+]2CCc3sccc3[C@@H]2c2ccccc2)C1 ZINC000367273428 563839218 /nfs/dbraw/zinc/83/92/18/563839218.db2.gz CSQSBLGCDVPFDQ-KXBFYZLASA-N 1 0 376.547 2.977 20 0 GFADRO O=C(NCCC[NH+]1CCCC1)Nc1cc(Br)cnc1-n1cccn1 ZINC000444917930 563839835 /nfs/dbraw/zinc/83/98/35/563839835.db2.gz FSHCFVLPOOESMQ-UHFFFAOYSA-N 1 0 393.289 2.637 20 0 GFADRO COc1cc(C)c(Br)cc1C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000367532922 563847640 /nfs/dbraw/zinc/84/76/40/563847640.db2.gz FZAZLZZRRUAGIQ-AWEZNQCLSA-N 1 0 397.313 2.749 20 0 GFADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)c3cc(Br)cnc3OCC3CC3)C[C@@H]21 ZINC000367592777 563849748 /nfs/dbraw/zinc/84/97/48/563849748.db2.gz FJISDAVCFSAJBG-CJNGLKHVSA-N 1 0 394.313 2.799 20 0 GFADRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1Cc1ncc(I)s1 ZINC000367681294 563852312 /nfs/dbraw/zinc/85/23/12/563852312.db2.gz DDBAXTURQQNADU-QWRGUYRKSA-N 1 0 377.295 2.806 20 0 GFADRO CN(CC1([NH+](C)C)CCC1)S(=O)(=O)c1cc(F)ccc1Br ZINC000445705660 563852669 /nfs/dbraw/zinc/85/26/69/563852669.db2.gz VUADDQHAESHGQR-UHFFFAOYSA-N 1 0 379.295 2.693 20 0 GFADRO O=S1(=O)CC[C@H]2CN(Cc3cc(Br)cc4cccnc43)C[C@H]21 ZINC000367736360 563853554 /nfs/dbraw/zinc/85/35/54/563853554.db2.gz FQVRJGNEXBXNSQ-SWLSCSKDSA-N 1 0 381.295 2.616 20 0 GFADRO Cc1cc(NC(=O)CC[N@@H+](C)[C@@H]2CCOc3ccc(Br)cc32)no1 ZINC000445876841 563855079 /nfs/dbraw/zinc/85/50/79/563855079.db2.gz KRWBKWGVJKBAEX-CQSZACIVSA-N 1 0 394.269 3.530 20 0 GFADRO C[NH+](C)CC1CCN(C(=O)[C@@H]2CC(=O)Nc3ccc(Br)cc32)CC1 ZINC000446032290 563857526 /nfs/dbraw/zinc/85/75/26/563857526.db2.gz XEINBMRIRXOVHD-OAHLLOKOSA-N 1 0 394.313 2.675 20 0 GFADRO CN(C(=O)[C@@H]1CC(=O)Nc2ccc(Br)cc21)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000446038518 563857577 /nfs/dbraw/zinc/85/75/77/563857577.db2.gz HBEKQZCDYZWKHV-UKRRQHHQSA-N 1 0 392.297 2.570 20 0 GFADRO C[NH+](C)CCOc1ccc(NC(=O)c2cc[nH]c(=O)c2Br)cc1 ZINC000446106269 563859220 /nfs/dbraw/zinc/85/92/20/563859220.db2.gz ALRTZCNUKPMOAR-UHFFFAOYSA-N 1 0 380.242 2.742 20 0 GFADRO CN(C(C)(C)C[NH+]1CCCC1)S(=O)(=O)c1ccc(OC(F)F)c(F)c1 ZINC000416660035 563859347 /nfs/dbraw/zinc/85/93/47/563859347.db2.gz JJQZKEISRUNYHD-UHFFFAOYSA-N 1 0 380.432 2.922 20 0 GFADRO C[C@H](C(F)(F)F)S(=O)(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000368098506 563863903 /nfs/dbraw/zinc/86/39/03/563863903.db2.gz JXDANPJHRJJGAI-BMFZPTHFSA-N 1 0 376.444 2.721 20 0 GFADRO O=S(=O)(Cc1ccccc1C(F)(F)F)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000368126640 563864735 /nfs/dbraw/zinc/86/47/35/563864735.db2.gz TWNDYXABKIKFQZ-CQSZACIVSA-N 1 0 376.444 2.857 20 0 GFADRO O=S(=O)(N[C@@H]1CC12CC[NH2+]CC2)c1c(Cl)cc(F)cc1Br ZINC000368313687 563868369 /nfs/dbraw/zinc/86/83/69/563868369.db2.gz DJSOWHJCOYDTNJ-LLVKDONJSA-N 1 0 397.697 2.662 20 0 GFADRO Cc1cc(C(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)nn1-c1ccc(Br)cc1 ZINC000368371056 563869636 /nfs/dbraw/zinc/86/96/36/563869636.db2.gz SRCYYNACYWNAQC-BBRMVZONSA-N 1 0 389.297 2.767 20 0 GFADRO C[N@@H+]1CC[C@@]2(CCN(C(=O)Nc3ccccc3I)C2)C1 ZINC000368387741 563869848 /nfs/dbraw/zinc/86/98/48/563869848.db2.gz MASHWGDLRASPAG-OAHLLOKOSA-N 1 0 385.249 2.851 20 0 GFADRO O=C(c1cc(=O)[nH]c2ccc(Br)cc21)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000368389872 563870207 /nfs/dbraw/zinc/87/02/07/563870207.db2.gz ZIVQKJXCRRYCEA-IINYFYTJSA-N 1 0 376.254 2.527 20 0 GFADRO C[NH2+]C[C@@H](C)CNC(=O)NCC1(c2cccc(Br)c2)CCOCC1 ZINC000417176538 563870272 /nfs/dbraw/zinc/87/02/72/563870272.db2.gz KIKBCAJARSZKAM-CQSZACIVSA-N 1 0 398.345 2.652 20 0 GFADRO CCOC(=O)[C@](C)(O)C[NH2+][C@@H](c1cc(Cl)ccc1Cl)[C@@H]1CCOC1 ZINC000368432361 563870749 /nfs/dbraw/zinc/87/07/49/563870749.db2.gz BPTXMLNGEGQRNW-RGYTYGDFSA-N 1 0 376.280 2.975 20 0 GFADRO C[C@@H](CCC[NH3+])NC(=O)NCC1(c2cccc(Br)c2)CCOCC1 ZINC000417179947 563870789 /nfs/dbraw/zinc/87/07/89/563870789.db2.gz OCAUFOPOIYQMNL-AWEZNQCLSA-N 1 0 398.345 2.924 20 0 GFADRO C[C@@H](CC[NH3+])NC(=O)NCC1(c2cccc(Br)c2)CCOCC1 ZINC000417178865 563870812 /nfs/dbraw/zinc/87/08/12/563870812.db2.gz NFWVNGXXKPRTCE-ZDUSSCGKSA-N 1 0 384.318 2.534 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)[C@H]1CCCN(c2ccc(Br)cn2)C1 ZINC000368451531 563871087 /nfs/dbraw/zinc/87/10/87/563871087.db2.gz SJHYRUQJXTVEGW-DZKIICNBSA-N 1 0 395.345 2.789 20 0 GFADRO C[C@H](NC(=O)N1CC[C@@H]([NH3+])[C@H](C)C1)c1cc2c(cc1Br)OCCO2 ZINC000417187313 563871896 /nfs/dbraw/zinc/87/18/96/563871896.db2.gz WMNABYUGPLPEQM-UHIISALHSA-N 1 0 398.301 2.660 20 0 GFADRO CS(=O)(=O)c1ccc(CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1C(F)(F)F ZINC000447062707 563873731 /nfs/dbraw/zinc/87/37/31/563873731.db2.gz CUZDLIXNYQKCAI-UONOGXRCSA-N 1 0 376.444 2.825 20 0 GFADRO CCCN(C(=O)NCCC(=O)Nc1ccc(Br)cc1)[C@H]1CC[NH2+]C1 ZINC000417225175 563874310 /nfs/dbraw/zinc/87/43/10/563874310.db2.gz NKVSQQWVOLAIKK-HNNXBMFYSA-N 1 0 397.317 2.561 20 0 GFADRO COC(=O)[C@](C)(C[NH2+][C@@H](C)Cn1cc(Br)cn1)c1ccc(F)cc1 ZINC000447096636 563874774 /nfs/dbraw/zinc/87/47/74/563874774.db2.gz IUANXJQUCSTUEB-YVEFUNNKSA-N 1 0 398.276 2.894 20 0 GFADRO C[C@@H]([NH2+]CCOc1ccc(S(C)(=O)=O)cc1)[C@@H]1OCCc2sccc21 ZINC000368633092 563876284 /nfs/dbraw/zinc/87/62/84/563876284.db2.gz MSSZFAAQRFAODC-ACJLOTCBSA-N 1 0 381.519 2.823 20 0 GFADRO [NH3+]CCCOC1CCN(C(=O)NCc2nc3cc(Cl)ccc3s2)CC1 ZINC000417278091 563876318 /nfs/dbraw/zinc/87/63/18/563876318.db2.gz ICSGNJSFLDIKNH-UHFFFAOYSA-N 1 0 382.917 2.989 20 0 GFADRO C[C@@H](C[NH+](C)C)NC(=O)Nc1c(F)cc(I)cc1F ZINC000417288658 563877371 /nfs/dbraw/zinc/87/73/71/563877371.db2.gz NQJDSCKZWSECSO-ZETCQYMHSA-N 1 0 383.180 2.641 20 0 GFADRO CC[NH2+]CC1CCN(C(=O)NCCOc2ccc(Br)cc2)CC1 ZINC000417319814 563878092 /nfs/dbraw/zinc/87/80/92/563878092.db2.gz OFTJDVQYMCNFEP-UHFFFAOYSA-N 1 0 384.318 2.859 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H]2CN(S(=O)(=O)c3cc(Br)ccc3Cl)C[C@@H]21 ZINC000447253220 563878385 /nfs/dbraw/zinc/87/83/85/563878385.db2.gz WXLPEIKDGLEBQZ-SUZMYJTESA-N 1 0 393.734 2.850 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)N[C@H](C[NH3+])CC(C)C ZINC000417370655 563878873 /nfs/dbraw/zinc/87/88/73/563878873.db2.gz UIECFMXDUZPAKA-AWEZNQCLSA-N 1 0 399.333 2.759 20 0 GFADRO [NH3+]C[C@H](NC(=O)NCc1cc(Br)ccc1OC(F)F)C1CC1 ZINC000417401107 563879088 /nfs/dbraw/zinc/87/90/88/563879088.db2.gz BPMLBUUCAAMTNQ-NSHDSACASA-N 1 0 378.217 2.587 20 0 GFADRO C[C@H](COCC(F)(F)F)NC(=O)NC1CC[NH+](Cc2cccs2)CC1 ZINC000368877517 563880420 /nfs/dbraw/zinc/88/04/20/563880420.db2.gz QKTOORJYHHJESH-GFCCVEGCSA-N 1 0 379.448 2.979 20 0 GFADRO [NH3+]CCCOC1CCN(C(=O)N[C@@H]2CCc3c2cccc3Br)CC1 ZINC000417450580 563880595 /nfs/dbraw/zinc/88/05/95/563880595.db2.gz FJHVZDIOEILGTL-QGZVFWFLSA-N 1 0 396.329 2.976 20 0 GFADRO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)N[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000417476641 563880789 /nfs/dbraw/zinc/88/07/89/563880789.db2.gz DPTDLQQNRMWPGS-JLJPHGGASA-N 1 0 395.345 2.845 20 0 GFADRO CCCC[C@H](C[NH3+])NC(=O)N[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000417482996 563881029 /nfs/dbraw/zinc/88/10/29/563881029.db2.gz QRALKVRINFHXOV-HUUCEWRRSA-N 1 0 383.334 2.845 20 0 GFADRO COCC[C@@]1([NH2+]CC(=O)N(C)Cc2cc(Cl)cc(Cl)c2)CCOC1 ZINC000447389764 563881255 /nfs/dbraw/zinc/88/12/55/563881255.db2.gz ARLMGUQSSKBQDF-QGZVFWFLSA-N 1 0 375.296 2.737 20 0 GFADRO O=C([C@H]1COc2ccc(Br)cc21)N1CCCC2(CC[NH2+]CC2)C1 ZINC000368925560 563882112 /nfs/dbraw/zinc/88/21/12/563882112.db2.gz SYLQYCLHWIJHQF-HNNXBMFYSA-N 1 0 379.298 2.917 20 0 GFADRO COCC[C@H](Cc1cccc(Br)c1)C(=O)N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000447520413 563882900 /nfs/dbraw/zinc/88/29/00/563882900.db2.gz TXWTVBWZBWCMDK-YSVLISHTSA-N 1 0 383.330 2.901 20 0 GFADRO COCC[C@H](Cc1cccc(Br)c1)C(=O)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000447520411 563883043 /nfs/dbraw/zinc/88/30/43/563883043.db2.gz TXWTVBWZBWCMDK-UNEWFSDZSA-N 1 0 383.330 2.901 20 0 GFADRO C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+][C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000447576786 563883060 /nfs/dbraw/zinc/88/30/60/563883060.db2.gz CHQNMWNMHCQXRD-DQYPLSBCSA-N 1 0 378.314 2.627 20 0 GFADRO Cc1cc(NC(=O)NC[C@@H](c2ccsc2)[NH+](C)C)nn1CC(F)(F)F ZINC000417617488 563886283 /nfs/dbraw/zinc/88/62/83/563886283.db2.gz WCTOCYDHOHWMSB-LBPRGKRZSA-N 1 0 375.420 3.240 20 0 GFADRO CO[C@H]1CCN(C(=O)NCC2(c3cccc(Br)c3)CC2)[C@@H](C[NH3+])C1 ZINC000417662245 563886995 /nfs/dbraw/zinc/88/69/95/563886995.db2.gz RIUIZXOYHXHYQB-CVEARBPZSA-N 1 0 396.329 2.628 20 0 GFADRO O=C(NCCCc1ccc(Br)cc1F)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000417682731 563887631 /nfs/dbraw/zinc/88/76/31/563887631.db2.gz TWOHHVKLVNKVGW-KBPBESRZSA-N 1 0 384.293 2.772 20 0 GFADRO CC1(NC(=O)NCCOc2ncc(C(F)(F)F)cc2Cl)CC[NH2+]CC1 ZINC000417737315 563888033 /nfs/dbraw/zinc/88/80/33/563888033.db2.gz NOKCDZUOELLTMB-UHFFFAOYSA-N 1 0 380.798 2.574 20 0 GFADRO CC(C)C[C@H](C[NH3+])NC(=O)NCCOc1ncc(C(F)(F)F)cc1Cl ZINC000417729412 563888200 /nfs/dbraw/zinc/88/82/00/563888200.db2.gz CGBLLXWBQFSDQA-LLVKDONJSA-N 1 0 382.814 2.805 20 0 GFADRO C[C@H](CCNS(=O)(=O)c1ccc(OC(F)F)c(F)c1)[NH+]1CCCCC1 ZINC000447868433 563889112 /nfs/dbraw/zinc/88/91/12/563889112.db2.gz JYQDEQNKNRRDKN-GFCCVEGCSA-N 1 0 380.432 2.970 20 0 GFADRO C[C@H](CNC(=O)NC[C@]1(C)CCC[NH2+]C1)Oc1cccc(Br)c1 ZINC000417790805 563889128 /nfs/dbraw/zinc/88/91/28/563889128.db2.gz IUJBMXYUYMYIDF-CXAGYDPISA-N 1 0 384.318 2.905 20 0 GFADRO C[C@@H](CNC(=O)NC[C@]1(C)CCC[NH2+]C1)Oc1cccc(Br)c1 ZINC000417790808 563889140 /nfs/dbraw/zinc/88/91/40/563889140.db2.gz IUJBMXYUYMYIDF-SUMWQHHRSA-N 1 0 384.318 2.905 20 0 GFADRO COc1ncc(C[NH+]2CCC(Cn3cc(Br)cn3)CC2)c(C)n1 ZINC000369199412 563889319 /nfs/dbraw/zinc/88/93/19/563889319.db2.gz WFNQEZXLGIOXCZ-UHFFFAOYSA-N 1 0 380.290 2.665 20 0 GFADRO CC[C@@H](Cc1ccccc1Br)NC(=O)NC[C@]1(COC)CCC[NH2+]1 ZINC000417882304 563890245 /nfs/dbraw/zinc/89/02/45/563890245.db2.gz GZQZWCJIUNGHDU-YJBOKZPZSA-N 1 0 398.345 2.838 20 0 GFADRO C[C@H](NC(=O)N1CCC[NH2+]CC1)c1nc(-c2ccc(Br)cc2)no1 ZINC000417879751 563890473 /nfs/dbraw/zinc/89/04/73/563890473.db2.gz BRFDFOYSTQLPEI-NSHDSACASA-N 1 0 394.273 2.565 20 0 GFADRO CC(C)(C[NH2+]Cc1ccc(F)cc1I)N1CCOCC1 ZINC000417840338 563890552 /nfs/dbraw/zinc/89/05/52/563890552.db2.gz MADWHDQMIFMSHJ-UHFFFAOYSA-N 1 0 392.256 2.631 20 0 GFADRO C[NH2+]C[C@H](C)CNC(=O)N[C@@H](C)c1nc(-c2ccc(Br)cc2)no1 ZINC000417892922 563890956 /nfs/dbraw/zinc/89/09/56/563890956.db2.gz MHLAZWQGRDKLNW-QWRGUYRKSA-N 1 0 396.289 2.715 20 0 GFADRO CO[C@@H]1CCN(C(=O)NCCc2nc3cc(Cl)ccc3s2)[C@H](C[NH3+])C1 ZINC000417884043 563891065 /nfs/dbraw/zinc/89/10/65/563891065.db2.gz WFICEVVFZANDIL-QWHCGFSZSA-N 1 0 382.917 2.640 20 0 GFADRO C[C@H](NC(=O)N1CCC([NH3+])CC1)c1nc(-c2ccc(Br)cc2)no1 ZINC000417901790 563891565 /nfs/dbraw/zinc/89/15/65/563891565.db2.gz WNHLIUKUOZWAKH-JTQLQIEISA-N 1 0 394.273 2.693 20 0 GFADRO CCn1nncc1C[NH2+]C1CCN(Cc2ccc(Br)cc2)CC1 ZINC000417926032 563892072 /nfs/dbraw/zinc/89/20/72/563892072.db2.gz DGPPNKLAFXRMLS-UHFFFAOYSA-N 1 0 378.318 2.815 20 0 GFADRO CN1CC[C@H](NC(=O)N[C@H](CC[NH3+])C(F)F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000417940030 563892126 /nfs/dbraw/zinc/89/21/26/563892126.db2.gz KWIAOMSBAPBWBB-MJBXVCDLSA-N 1 0 378.826 2.506 20 0 GFADRO C[C@H](Cc1cc(Br)ccc1F)NC(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000417940653 563892228 /nfs/dbraw/zinc/89/22/28/563892228.db2.gz LPMFIUWOVAYHKS-HSMVNMDESA-N 1 0 384.293 2.913 20 0 GFADRO C[C@H](Cc1cc(Br)ccc1F)NC(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000417940655 563892235 /nfs/dbraw/zinc/89/22/35/563892235.db2.gz LPMFIUWOVAYHKS-XHBSWPGZSA-N 1 0 384.293 2.913 20 0 GFADRO CCn1cncc1C[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000417928532 563892246 /nfs/dbraw/zinc/89/22/46/563892246.db2.gz HQOGOZJYWXJZCX-UHFFFAOYSA-N 1 0 379.302 2.792 20 0 GFADRO C[C@H](Cc1c(Cl)cccc1Cl)NC(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000417949041 563892323 /nfs/dbraw/zinc/89/23/23/563892323.db2.gz UNTZHSKUOXXKQE-KGLIPLIRSA-N 1 0 385.339 2.614 20 0 GFADRO Fc1ccc(C[NH2+][C@H]2CCO[C@]3(CCOC3)C2)c(I)c1 ZINC000417957479 563893106 /nfs/dbraw/zinc/89/31/06/563893106.db2.gz FNCRINSZFQGNKL-DZGCQCFKSA-N 1 0 391.224 2.858 20 0 GFADRO O=C(NCCSCc1ccc(Cl)cc1Cl)NC[C@H]1C[NH2+]CCCO1 ZINC000417974976 563893463 /nfs/dbraw/zinc/89/34/63/563893463.db2.gz DXJZQUSRNRRFQG-CQSZACIVSA-N 1 0 392.352 2.904 20 0 GFADRO O=C(NCCc1c[nH]c2ccc(Br)cc12)N[C@@H]1CCCC[NH2+]C1 ZINC000418000692 563894587 /nfs/dbraw/zinc/89/45/87/563894587.db2.gz JUFPOTWPUWCXJL-CQSZACIVSA-N 1 0 379.302 2.914 20 0 GFADRO C[C@@H](C[NH3+])NC(=O)NCCOc1c(Cl)cc(Br)cc1Cl ZINC000418008982 563895068 /nfs/dbraw/zinc/89/50/68/563895068.db2.gz RPRKLCZCNMSYIO-ZETCQYMHSA-N 1 0 385.089 2.781 20 0 GFADRO COc1cc(Br)ccc1CCCNC(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000418007486 563895167 /nfs/dbraw/zinc/89/51/67/563895167.db2.gz RELKYYKFKRJGSF-SWLSCSKDSA-N 1 0 384.318 2.688 20 0 GFADRO Cc1cc(Br)cn2cc(CNC(=O)N3CC[C@@H](C)C[C@@H]3C[NH3+])nc12 ZINC000418021502 563895564 /nfs/dbraw/zinc/89/55/64/563895564.db2.gz PVGAWLMBIUFOLW-IAQYHMDHSA-N 1 0 394.317 2.674 20 0 GFADRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)NCCc1c[nH]c2ccc(Br)cc12 ZINC000418013141 563895639 /nfs/dbraw/zinc/89/56/39/563895639.db2.gz YRCGRDLMCVNVJK-NWDGAFQWSA-N 1 0 379.302 2.852 20 0 GFADRO CCCC[C@H](C[NH3+])NC(=O)NCCc1cn2cc(Br)cc(C)c2n1 ZINC000418018289 563895642 /nfs/dbraw/zinc/89/56/42/563895642.db2.gz ILPZPBWREWSTOL-CQSZACIVSA-N 1 0 396.333 2.764 20 0 GFADRO OC[C@@H]([NH2+]C1CCN(Cc2ccccc2Br)CC1)[C@@H]1CCCO1 ZINC000448278843 563895626 /nfs/dbraw/zinc/89/56/26/563895626.db2.gz PMJPRLFPUQRDJZ-MSOLQXFVSA-N 1 0 383.330 2.543 20 0 GFADRO Cc1cc(Br)cn2cc(CCNC(=O)N(C)CC(C)(C)C[NH3+])nc12 ZINC000418017684 563895688 /nfs/dbraw/zinc/89/56/88/563895688.db2.gz HTSUWFOHDXUYHB-UHFFFAOYSA-N 1 0 396.333 2.574 20 0 GFADRO OC[C@H]([NH2+]C1CCN(Cc2ccccc2Br)CC1)[C@H]1CCCO1 ZINC000448278846 563895729 /nfs/dbraw/zinc/89/57/29/563895729.db2.gz PMJPRLFPUQRDJZ-ZWKOTPCHSA-N 1 0 383.330 2.543 20 0 GFADRO Cc1cc(Br)cn2cc(CNC(=O)N3CCCC[C@@H]3[C@@H](C)[NH3+])nc12 ZINC000418020722 563895735 /nfs/dbraw/zinc/89/57/35/563895735.db2.gz HBBGCWXEURUGQN-IUODEOHRSA-N 1 0 394.317 2.817 20 0 GFADRO CCCOC[C@@H](Cc1cccc(Br)c1)NC(=O)N1CC[C@@H]([NH2+]C)C1 ZINC000418026429 563895984 /nfs/dbraw/zinc/89/59/84/563895984.db2.gz HEXMOVGQPUMFFI-IAGOWNOFSA-N 1 0 398.345 2.790 20 0 GFADRO C[NH2+][C@@H]1CCN(C(=O)NCc2cc(Br)ccc2Br)C1 ZINC000418031932 563896493 /nfs/dbraw/zinc/89/64/93/563896493.db2.gz BJFFCQFZCJTDCI-LLVKDONJSA-N 1 0 391.107 2.715 20 0 GFADRO CC[NH2+][C@H](C)CNC(=O)N[C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O ZINC000418054779 563896785 /nfs/dbraw/zinc/89/67/85/563896785.db2.gz AMXYOJYKNORCKU-BXUZGUMPSA-N 1 0 387.311 2.786 20 0 GFADRO O=C(N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000418077768 563897685 /nfs/dbraw/zinc/89/76/85/563897685.db2.gz IOYDHRNYPINNKS-GZBFAFLISA-N 1 0 383.323 2.823 20 0 GFADRO CCCC[C@@H](C[NH3+])NC(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000418096635 563899143 /nfs/dbraw/zinc/89/91/43/563899143.db2.gz KMNGLYYTNZLQGN-LSDHHAIUSA-N 1 0 383.334 2.845 20 0 GFADRO [NH3+]CCCOC1CCN(C(=O)N[C@@H]2C[C@H]2c2ccc(Br)cc2)CC1 ZINC000418131124 563899385 /nfs/dbraw/zinc/89/93/85/563899385.db2.gz WCWQAEKUTOSVHT-DLBZAZTESA-N 1 0 396.329 2.844 20 0 GFADRO C[C@@H](CCc1ccc(I)cc1)NC(=O)NCC(C)(C)[NH3+] ZINC000418115403 563899449 /nfs/dbraw/zinc/89/94/49/563899449.db2.gz OXTWWHNWNDTOBD-NSHDSACASA-N 1 0 389.281 2.649 20 0 GFADRO C[C@@H]1CN(CC2=Cc3cc(Br)ccc3OC2)[C@@H](C)C[N@@H+]1CCO ZINC000418112751 563899546 /nfs/dbraw/zinc/89/95/46/563899546.db2.gz LODVIXVKRPMKFF-KGLIPLIRSA-N 1 0 381.314 2.612 20 0 GFADRO O=C(N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000418122669 563899576 /nfs/dbraw/zinc/89/95/76/563899576.db2.gz XXIFDQARMVLURT-WFGGJUAMSA-N 1 0 382.277 2.695 20 0 GFADRO CC(C)(C[NH2+]Cc1ccc(I)cc1)C1(O)CCOCC1 ZINC000418125750 563899589 /nfs/dbraw/zinc/89/95/89/563899589.db2.gz KHECIMFIZUQANM-UHFFFAOYSA-N 1 0 389.277 2.949 20 0 GFADRO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1CC1=Cc2cc(Br)ccc2OC1 ZINC000418112750 563899592 /nfs/dbraw/zinc/89/95/92/563899592.db2.gz LODVIXVKRPMKFF-KBPBESRZSA-N 1 0 381.314 2.612 20 0 GFADRO COC(=O)c1ccc(C[NH2+][C@@H]2CCN(CC(F)F)C2)c(Br)c1 ZINC000418141533 563899916 /nfs/dbraw/zinc/89/99/16/563899916.db2.gz WUNJHNCOMPPFSH-GFCCVEGCSA-N 1 0 377.229 2.665 20 0 GFADRO Cc1cc(CNC(=O)N[C@@H](C)CCCC[NH3+])ccc1I ZINC000418144002 563899945 /nfs/dbraw/zinc/89/99/45/563899945.db2.gz RWVDUCMCSWJMBU-LBPRGKRZSA-N 1 0 389.281 2.916 20 0 GFADRO C[C@@H]1CCN(C(=O)N[C@@H]2CCOc3c(Br)cccc32)C[C@H]1C[NH3+] ZINC000418155483 563900504 /nfs/dbraw/zinc/90/05/04/563900504.db2.gz KNEBASUDCADOSS-LALPHHSUSA-N 1 0 382.302 2.899 20 0 GFADRO CS(=O)(=O)N1CCC[C@@H]([NH2+][C@@H]2CCc3c2ccc(F)c3Br)C1 ZINC000449098309 563906977 /nfs/dbraw/zinc/90/69/77/563906977.db2.gz IPHHKZUCPSQCJX-QMTHXVAHSA-N 1 0 391.306 2.589 20 0 GFADRO C[C@H](COc1ccc(Cl)c(Cl)c1)[NH2+][C@@H]1CCN(c2cnn(C)c2)C1=O ZINC000449153153 563907559 /nfs/dbraw/zinc/90/75/59/563907559.db2.gz CNSUZIZFTLUOSN-BDJLRTHQSA-N 1 0 383.279 2.889 20 0 GFADRO CC[C@@H]([NH2+]Cc1ccnc2c(Br)cccc12)C(=O)N1CCOCC1 ZINC000449172766 563907840 /nfs/dbraw/zinc/90/78/40/563907840.db2.gz DIMIYXARSUXBLU-MRXNPFEDSA-N 1 0 392.297 2.724 20 0 GFADRO COCCO[C@@H]1COCC[C@@H]1[NH2+]Cc1ccnc2c(Br)cccc12 ZINC000449258766 564177952 /nfs/dbraw/zinc/17/79/52/564177952.db2.gz QYDNRXRUPWVZMF-DLBZAZTESA-N 1 0 395.297 2.907 20 0 GFADRO CC[C@H](CCc1ccc(Br)cc1)[NH2+]C[C@@H]1CS(=O)(=O)CCO1 ZINC000537951731 564178511 /nfs/dbraw/zinc/17/85/11/564178511.db2.gz AEPSSQCMKLIDTI-HZPDHXFCSA-N 1 0 390.343 2.564 20 0 GFADRO O=C(c1ccoc1)N1CCC([NH2+][C@@H](CO)c2ccc(Br)cc2)CC1 ZINC000537943128 564178673 /nfs/dbraw/zinc/17/86/73/564178673.db2.gz CLSPVFRHCPFBEI-KRWDZBQOSA-N 1 0 393.281 2.970 20 0 GFADRO Cc1cccc(I)c1C(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000563162311 564178937 /nfs/dbraw/zinc/17/89/37/564178937.db2.gz AMEPLCNOEPIGDD-UHFFFAOYSA-N 1 0 384.261 2.815 20 0 GFADRO CS(=O)(=O)NC[C@@H]1CCC[C@H]1[NH2+]Cc1cnc(-c2ccccc2F)s1 ZINC000449305447 564179659 /nfs/dbraw/zinc/17/96/59/564179659.db2.gz GMXIJGIVNXZBTH-BLLLJJGKSA-N 1 0 383.514 2.757 20 0 GFADRO CO[C@]1(C)CCC[N@H+](C[C@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000470906344 564179963 /nfs/dbraw/zinc/17/99/63/564179963.db2.gz MPSAOGWDUQPHJR-GOEBONIOSA-N 1 0 376.266 2.829 20 0 GFADRO CO[C@@]1(C)CCC[N@H+](CC(=O)N(C)Cc2cc(Br)cs2)C1 ZINC000470913443 564180247 /nfs/dbraw/zinc/18/02/47/564180247.db2.gz PARYTMLBDUWYGN-HNNXBMFYSA-N 1 0 375.332 2.970 20 0 GFADRO CS(=O)(=O)N[C@@H]1CCCC[C@H]1C[NH2+]Cc1cc(F)cc(Br)c1 ZINC000449317782 564180616 /nfs/dbraw/zinc/18/06/16/564180616.db2.gz CAVZSPPFNVPJAJ-SWLSCSKDSA-N 1 0 393.322 2.786 20 0 GFADRO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]CCn1cc(Br)ccc1=O ZINC000449372750 564182367 /nfs/dbraw/zinc/18/23/67/564182367.db2.gz ADCVRVYDKXYOET-QAPCUYQASA-N 1 0 390.325 2.721 20 0 GFADRO C[C@@H](C(=O)Nc1ccccc1Br)N(C)Cc1cnc(N(C)C)nc1 ZINC000505487572 564183624 /nfs/dbraw/zinc/18/36/24/564183624.db2.gz IZGUXQLSBUNKIN-LBPRGKRZSA-N 1 0 392.301 2.764 20 0 GFADRO OCCCN1CCC[C@@H]([NH2+]Cc2ccnc3c(Br)cccc23)C1 ZINC000449393171 564184127 /nfs/dbraw/zinc/18/41/27/564184127.db2.gz BICLFPCPDDOSCF-OAHLLOKOSA-N 1 0 378.314 2.934 20 0 GFADRO C[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3Cc4cc(Br)ccc4O3)C2)C1 ZINC000505502613 564184987 /nfs/dbraw/zinc/18/49/87/564184987.db2.gz FBZIAKOGSPGUJL-WMZOPIPTSA-N 1 0 379.298 2.697 20 0 GFADRO CN(CC[N@H+](C)Cc1cc(Cl)ccc1F)c1ccc(S(N)(=O)=O)cc1 ZINC000449419664 564186128 /nfs/dbraw/zinc/18/61/28/564186128.db2.gz CASBPZYCPAHKLY-UHFFFAOYSA-N 1 0 385.892 2.695 20 0 GFADRO O[C@@H]1C[C@H]([C@@H]2CCCOC2)[N@H+](Cc2ccc(I)cc2)C1 ZINC000449434635 564186645 /nfs/dbraw/zinc/18/66/45/564186645.db2.gz RXMHHRACPXWWOC-FVQBIDKESA-N 1 0 387.261 2.653 20 0 GFADRO C[NH+](C)CCN(C(=O)[C@H]1CCN(c2cc(Cl)ccc2Cl)C1=O)C1CC1 ZINC000505672306 564187545 /nfs/dbraw/zinc/18/75/45/564187545.db2.gz ZHTHQLMJDPPNDY-CQSZACIVSA-N 1 0 384.307 2.899 20 0 GFADRO CO[C@H]1COCC[C@@H]1C[NH2+]Cc1c(Br)cncc1Br ZINC000449462636 564188165 /nfs/dbraw/zinc/18/81/65/564188165.db2.gz URODLYFECVKNQL-RNCFNFMXSA-N 1 0 394.107 2.748 20 0 GFADRO CC[C@](C)(C[NH2+]Cc1cc(Br)ccc1O[C@@H](C)C(=O)NC)OC ZINC000449477176 564188303 /nfs/dbraw/zinc/18/83/03/564188303.db2.gz OIAHNZPCEMRQKO-YVEFUNNKSA-N 1 0 387.318 2.867 20 0 GFADRO C[C@@H]1COCC[N@@H+]1C1CCN(Cc2cc3c(cc2Br)OCO3)CC1 ZINC000563366543 564188749 /nfs/dbraw/zinc/18/87/49/564188749.db2.gz UZMWPKXTCLGXLT-CYBMUJFWSA-N 1 0 397.313 2.863 20 0 GFADRO CCOCCOc1ccc(Br)cc1C[NH2+][C@@H]1CC(=O)N(CC)C1 ZINC000449517984 564189660 /nfs/dbraw/zinc/18/96/60/564189660.db2.gz LWPXJPKDCCXKGV-OAHLLOKOSA-N 1 0 385.302 2.575 20 0 GFADRO COc1ccc([C@H](C)[NH2+][C@H]2CCCN(S(C)(=O)=O)C2)c(Br)c1 ZINC000538393325 564189624 /nfs/dbraw/zinc/18/96/24/564189624.db2.gz WRSUNVNSYNCDLK-RYUDHWBXSA-N 1 0 391.331 2.532 20 0 GFADRO Cc1nn(C)c(C)c1C[NH2+]C[C@H](CO)Cc1cc(Br)ccc1F ZINC000449598614 564191298 /nfs/dbraw/zinc/19/12/98/564191298.db2.gz JDOCPIYRRVNQNT-CYBMUJFWSA-N 1 0 384.293 2.879 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(Br)cnc1OCC1CC1 ZINC000506012493 564194138 /nfs/dbraw/zinc/19/41/38/564194138.db2.gz NONGLHMAPRPSRX-CQSZACIVSA-N 1 0 382.302 2.847 20 0 GFADRO O[C@H]([C@@H]1CC[N@H+](Cc2c(Cl)cccc2N2CCOCC2)C1)C(F)(F)F ZINC000449671896 564194811 /nfs/dbraw/zinc/19/48/11/564194811.db2.gz LAYBJUKDUZMTDP-MLGOLLRUSA-N 1 0 378.822 2.922 20 0 GFADRO C[NH+](C)C1(CNC(=O)[C@H]2C[C@@H]2c2cccc(Br)c2)CCOCC1 ZINC000506023498 564194897 /nfs/dbraw/zinc/19/48/97/564194897.db2.gz YXHIRUFEVWQOCY-CVEARBPZSA-N 1 0 381.314 2.780 20 0 GFADRO COC(=O)c1cc(C[NH2+]C[C@H](CO)Cc2ccc(F)c(Br)c2)c[nH]1 ZINC000449678304 564195399 /nfs/dbraw/zinc/19/53/99/564195399.db2.gz FKXLSHMYPWJSID-CYBMUJFWSA-N 1 0 399.260 2.644 20 0 GFADRO COC(=O)c1cc(C[NH2+]C[C@@H](CO)Cc2ccc(F)c(Br)c2)c[nH]1 ZINC000449678306 564195541 /nfs/dbraw/zinc/19/55/41/564195541.db2.gz FKXLSHMYPWJSID-ZDUSSCGKSA-N 1 0 399.260 2.644 20 0 GFADRO O=C(CNCc1c(F)cccc1Br)NCC[NH+]1CCCCCC1 ZINC000563543130 564196324 /nfs/dbraw/zinc/19/63/24/564196324.db2.gz POCDACNMKTXSDI-UHFFFAOYSA-N 1 0 386.309 2.670 20 0 GFADRO Cc1c(Br)cccc1C[C@@H](CO)C[NH2+]Cc1c[nH]c2nccnc12 ZINC000449685990 564196924 /nfs/dbraw/zinc/19/69/24/564196924.db2.gz UWDUNZCBRKMTJI-CYBMUJFWSA-N 1 0 389.297 2.921 20 0 GFADRO COc1cc(C)c(Br)cc1C(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000506136912 564197223 /nfs/dbraw/zinc/19/72/23/564197223.db2.gz MBCSYMDKMDCOMA-OKILXGFUSA-N 1 0 399.329 2.995 20 0 GFADRO C[N@@H+]1CC[C@H]2CCN(C(=O)c3ccc(-n4cc(Br)cn4)cc3)[C@H]2C1 ZINC000538713999 564198009 /nfs/dbraw/zinc/19/80/09/564198009.db2.gz FZCFMTIICNWGKT-GUYCJALGSA-N 1 0 389.297 2.801 20 0 GFADRO [NH3+]CC[C@@H](NC(=O)C1CCN(C(=O)c2ccc(Cl)s2)CC1)C(F)(F)F ZINC000449719514 564198689 /nfs/dbraw/zinc/19/86/89/564198689.db2.gz LGKONNKESUVFMJ-LLVKDONJSA-N 1 0 397.850 2.650 20 0 GFADRO C[C@@H](Cc1ccccc1Br)NC(=O)NCCNc1cc[nH+]cc1 ZINC000471560345 564198649 /nfs/dbraw/zinc/19/86/49/564198649.db2.gz VWOTXWMXPMLOTN-ZDUSSCGKSA-N 1 0 377.286 2.608 20 0 GFADRO COCc1cccc(CNc2cc(N3CCOCC3)c(Br)c[nH+]2)c1 ZINC000449764276 564201094 /nfs/dbraw/zinc/20/10/94/564201094.db2.gz AERDJOLXHWNWOM-UHFFFAOYSA-N 1 0 392.297 3.439 20 0 GFADRO C[NH+]1CCC([C@H]2CCN(c3cc(Br)cc(F)c3C(N)=O)C2)CC1 ZINC000538788618 564201231 /nfs/dbraw/zinc/20/12/31/564201231.db2.gz QRTKOAQHRBALKD-LBPRGKRZSA-N 1 0 384.293 2.855 20 0 GFADRO O[C@H](C[NH2+]C[C@H]1COc2ccccc21)COc1cccc(Br)c1 ZINC000563706010 564203319 /nfs/dbraw/zinc/20/33/19/564203319.db2.gz JNPSTGWLKRWCID-DZGCQCFKSA-N 1 0 378.266 2.955 20 0 GFADRO Cc1ccc(Br)cc1CC(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000449853826 564205744 /nfs/dbraw/zinc/20/57/44/564205744.db2.gz WKPGXABDSLLUJT-QGZVFWFLSA-N 1 0 383.330 2.509 20 0 GFADRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)CNC(=O)c1sc2ccccc2c1Cl ZINC000538952840 564206254 /nfs/dbraw/zinc/20/62/54/564206254.db2.gz BHQQRZQCKAVMOR-VXGBXAGGSA-N 1 0 379.913 2.836 20 0 GFADRO C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)CNC(=O)c1sc2ccccc2c1Cl ZINC000538952839 564206807 /nfs/dbraw/zinc/20/68/07/564206807.db2.gz BHQQRZQCKAVMOR-RYUDHWBXSA-N 1 0 379.913 2.836 20 0 GFADRO C[NH+](C)C1(CNC(=O)c2cc3c(Br)cccc3cn2)CCOCC1 ZINC000449861076 564206842 /nfs/dbraw/zinc/20/68/42/564206842.db2.gz NEXLORKHYRQVHT-UHFFFAOYSA-N 1 0 392.297 2.838 20 0 GFADRO CC(C)CSCC[NH2+][C@H](C)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000539051509 564208805 /nfs/dbraw/zinc/20/88/05/564208805.db2.gz LHUWYFJOCMPRST-MRXNPFEDSA-N 1 0 386.583 2.747 20 0 GFADRO CC(=O)c1cc(Br)ccc1OCC(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000506691030 564210256 /nfs/dbraw/zinc/21/02/56/564210256.db2.gz VYQBXJRPSBWSFG-LSDHHAIUSA-N 1 0 395.297 2.774 20 0 GFADRO CC[N@@H+]1CC[C@@H](CNC(=O)c2c(O)cnc3c(Br)cccc32)C1 ZINC000563919707 564212415 /nfs/dbraw/zinc/21/24/15/564212415.db2.gz BGLAKAOGNHPJRJ-NSHDSACASA-N 1 0 378.270 2.775 20 0 GFADRO O=C(NC[C@H]1CCCC[N@H+]1CCO)N[C@@H]1CCc2c1cccc2Br ZINC000564053700 564217187 /nfs/dbraw/zinc/21/71/87/564217187.db2.gz IKRURFGHMGCCSR-CXAGYDPISA-N 1 0 396.329 2.582 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)c1cc(Br)cnc1OCC1CC1)C1CC1 ZINC000507190167 564220547 /nfs/dbraw/zinc/22/05/47/564220547.db2.gz CTPZCPJJCMTGRP-OAHLLOKOSA-N 1 0 382.302 2.703 20 0 GFADRO CC[N@H+]1C[C@@H](C)N(C(=O)Cc2ccccc2I)[C@@H](C)C1 ZINC000564162942 564223105 /nfs/dbraw/zinc/22/31/05/564223105.db2.gz AYJVIQMUMNMHHW-BETUJISGSA-N 1 0 386.277 2.775 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)Nc1ccncc1Br)c1cccc(F)c1 ZINC000507240469 564223314 /nfs/dbraw/zinc/22/33/14/564223314.db2.gz ZOBWIGSCEAUKNA-OAHLLOKOSA-N 1 0 381.249 2.830 20 0 GFADRO Cc1nn(-c2ccc(Cl)cc2)cc1CN(C1CC1)[C@H]1CCS(=O)(=O)C1 ZINC000507311252 564226186 /nfs/dbraw/zinc/22/61/86/564226186.db2.gz YSGLEHZKGKJOKX-SFHVURJKSA-N 1 0 379.913 2.986 20 0 GFADRO Cc1c2ccc(C(F)(F)F)nc2sc1C(=O)NCCOCC[NH+](C)C ZINC000539747845 564226834 /nfs/dbraw/zinc/22/68/34/564226834.db2.gz RSCAHICTAPYAQO-UHFFFAOYSA-N 1 0 375.416 2.932 20 0 GFADRO CC[C@@H](O)C[NH+]1CCN(c2ncc(Br)cc2C(F)(F)F)CC1 ZINC000450341858 564228645 /nfs/dbraw/zinc/22/86/45/564228645.db2.gz NRYQAIYPKSKSJJ-LLVKDONJSA-N 1 0 382.224 2.756 20 0 GFADRO O=C(CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)Nc1cccc(Br)c1 ZINC000539800385 564228668 /nfs/dbraw/zinc/22/86/68/564228668.db2.gz WRYKYFUGZRDBTN-INIZCTEOSA-N 1 0 394.313 2.911 20 0 GFADRO Brc1ccc2c(c1)ncnc2N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000450366965 564229875 /nfs/dbraw/zinc/22/98/75/564229875.db2.gz ASBBZDMDUNBDCX-ZDUSSCGKSA-N 1 0 377.286 2.551 20 0 GFADRO CN1CCN(C(=O)CC[N@@H+]2CCC[C@H]2c2cccc(Br)c2)CC1 ZINC000472746126 564232955 /nfs/dbraw/zinc/23/29/55/564232955.db2.gz GLRSWNHLXNGRDC-KRWDZBQOSA-N 1 0 380.330 2.750 20 0 GFADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)NCCc1cccc(Cl)c1Cl ZINC000472904732 564236363 /nfs/dbraw/zinc/23/63/63/564236363.db2.gz ZXFNGSCGOXUOQX-AWEZNQCLSA-N 1 0 387.355 2.861 20 0 GFADRO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]C[C@H](O)C1CCOCC1 ZINC000540181321 564240712 /nfs/dbraw/zinc/24/07/12/564240712.db2.gz FVLQLERNBFJGID-WBMJQRKESA-N 1 0 385.302 2.543 20 0 GFADRO CC(C)(C)NS(=O)(=O)CC[NH2+][C@@H]1CCc2c1cc(Br)cc2F ZINC000540143134 564241214 /nfs/dbraw/zinc/24/12/14/564241214.db2.gz QZIJVHNNJIRARN-CQSZACIVSA-N 1 0 393.322 2.883 20 0 GFADRO Cc1c(Br)c2ccccc2n1CC(=O)NC[C@@](C)(O)CC[NH+](C)C ZINC000473268201 564242586 /nfs/dbraw/zinc/24/25/86/564242586.db2.gz HRHLMLWDZMGULU-SFHVURJKSA-N 1 0 396.329 2.531 20 0 GFADRO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)Nc2cccc(Br)c2)C1 ZINC000473301318 564243231 /nfs/dbraw/zinc/24/32/31/564243231.db2.gz LKDWMLKBRCNOPB-AWEZNQCLSA-N 1 0 394.313 2.578 20 0 GFADRO CCC(CC)(C[NH3+])C(=O)NCCOc1ccc(I)cc1 ZINC000564658479 564243264 /nfs/dbraw/zinc/24/32/64/564243264.db2.gz XIXKVGZKIXANKB-UHFFFAOYSA-N 1 0 390.265 2.551 20 0 GFADRO C[NH+](C)CC1CCN(C(=O)C(=O)Nc2nc(-c3cccs3)cs2)CC1 ZINC000473282288 564243943 /nfs/dbraw/zinc/24/39/43/564243943.db2.gz MVCOSIUYSZHITN-UHFFFAOYSA-N 1 0 378.523 2.610 20 0 GFADRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C(=O)NCc2cccc(Cl)c2Cl)C1 ZINC000564673849 564244301 /nfs/dbraw/zinc/24/43/01/564244301.db2.gz YCACJCWEFRYWCC-ZFWWWQNUSA-N 1 0 384.307 2.552 20 0 GFADRO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)Nc2ccc(Br)cc2)C1 ZINC000473310490 564244395 /nfs/dbraw/zinc/24/43/95/564244395.db2.gz NFHREZMJKZPTOU-CQSZACIVSA-N 1 0 394.313 2.578 20 0 GFADRO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(Br)cc2)C1 ZINC000473310489 564244565 /nfs/dbraw/zinc/24/45/65/564244565.db2.gz NFHREZMJKZPTOU-AWEZNQCLSA-N 1 0 394.313 2.578 20 0 GFADRO CN(CC[N@H+](C)C1CC1)C(=O)c1ccc(I)cc1F ZINC000450703982 564244811 /nfs/dbraw/zinc/24/48/11/564244811.db2.gz UPSFNRKJQXVNJJ-UHFFFAOYSA-N 1 0 376.213 2.597 20 0 GFADRO COCCOC[C@@H](O)C[NH2+][C@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000450766291 564246683 /nfs/dbraw/zinc/24/66/83/564246683.db2.gz ZGEZVDQUEXKPEB-HOTGVXAUSA-N 1 0 376.266 2.653 20 0 GFADRO CS(=O)(=O)[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](CO)Cc1c(F)cccc1Cl ZINC000540416304 564247760 /nfs/dbraw/zinc/24/77/60/564247760.db2.gz ABBROEBCRYMJDQ-AFAVFJNCSA-N 1 0 377.909 2.576 20 0 GFADRO CN(C)c1ncc(C[NH2+]CCCNC(=O)c2cccc(Br)c2)s1 ZINC000507942016 564249016 /nfs/dbraw/zinc/24/90/16/564249016.db2.gz PCDZOLNOHPVXRU-UHFFFAOYSA-N 1 0 397.342 2.881 20 0 GFADRO C[C@@H](CO)[N@@H+]1CCCN(CCCC(=O)c2ccc(Br)cc2)CC1 ZINC000450830408 564249324 /nfs/dbraw/zinc/24/93/24/564249324.db2.gz QFMJCYHFVFFKCG-HNNXBMFYSA-N 1 0 383.330 2.801 20 0 GFADRO CC(C)[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000564836248 564251701 /nfs/dbraw/zinc/25/17/01/564251701.db2.gz RLNPNBFPFXYCMT-VPWBDBDCSA-N 1 0 383.945 2.742 20 0 GFADRO C[NH+](C)[C@@H](CNS(=O)(=O)c1ccc(C(F)(F)F)nc1)C1CCCCC1 ZINC000473914491 564256376 /nfs/dbraw/zinc/25/63/76/564256376.db2.gz WSUPLUQREWEUHY-AWEZNQCLSA-N 1 0 379.448 2.889 20 0 GFADRO CCC[C@H]1C[NH2+]CCN1C(=O)c1cnc(Sc2nccn2C)c(Cl)c1 ZINC000564950249 564259060 /nfs/dbraw/zinc/25/90/60/564259060.db2.gz ARKWHIDPZWKNJO-ZDUSSCGKSA-N 1 0 379.917 2.834 20 0 GFADRO Cc1ccc(Br)cc1C[NH+]1CCC(CNS(C)(=O)=O)CC1 ZINC000450976061 564259387 /nfs/dbraw/zinc/25/93/87/564259387.db2.gz BKRNPMPUMQCGIZ-UHFFFAOYSA-N 1 0 375.332 2.519 20 0 GFADRO O=C(CC[NH2+]C[C@@H](CO)c1cccnc1)Nc1ccc(Br)cc1 ZINC000564974983 564261002 /nfs/dbraw/zinc/26/10/02/564261002.db2.gz JAPHSKCXQPWLMJ-AWEZNQCLSA-N 1 0 378.270 2.538 20 0 GFADRO C[N@@H+]1CCN(CCNC(=O)CCc2cccc(Br)c2)CC1(C)C ZINC000508315010 564261216 /nfs/dbraw/zinc/26/12/16/564261216.db2.gz HOFPWEBDQPLHGW-UHFFFAOYSA-N 1 0 382.346 2.524 20 0 GFADRO FC(F)COCC[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000474010397 564261459 /nfs/dbraw/zinc/26/14/59/564261459.db2.gz CABAEZVDEJYTFW-UHFFFAOYSA-N 1 0 379.245 2.657 20 0 GFADRO CN(CCC[NH+]1CCCC1)C(=O)Cc1ccc(I)cc1 ZINC000508406429 564263543 /nfs/dbraw/zinc/26/35/43/564263543.db2.gz ZMUYNITVJCGWSA-UHFFFAOYSA-N 1 0 386.277 2.778 20 0 GFADRO COc1cc(C)c(Br)cc1S(=O)(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000474107345 564265081 /nfs/dbraw/zinc/26/50/81/564265081.db2.gz XXQCZRBKPPSMSD-RYUDHWBXSA-N 1 0 391.331 2.527 20 0 GFADRO COc1cc(C(F)(F)F)cc(S(=O)(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)c1 ZINC000451060487 564268775 /nfs/dbraw/zinc/26/87/75/564268775.db2.gz YGRYGKQQFJOGHE-CABCVRRESA-N 1 0 378.416 2.619 20 0 GFADRO Brc1ccc2ncc(CN3CCC[C@H]([NH+]4CCOCC4)CC3)n2c1 ZINC000565230614 564271864 /nfs/dbraw/zinc/27/18/64/564271864.db2.gz TWZHPABBCHYGIL-INIZCTEOSA-N 1 0 393.329 2.784 20 0 GFADRO CS(=O)(=O)NCCC[NH2+]Cc1csc2c1cccc2Br ZINC000565241762 564272715 /nfs/dbraw/zinc/27/27/15/564272715.db2.gz HTANPFYEAHHHAF-UHFFFAOYSA-N 1 0 377.329 2.693 20 0 GFADRO COC[C@]1(CNC(=O)N2Cc3cc(Br)ccc3C[C@H]2C)CCC[NH2+]1 ZINC000565353414 564276826 /nfs/dbraw/zinc/27/68/26/564276826.db2.gz MIQVAJVMQFWSIM-FZKQIMNGSA-N 1 0 396.329 2.674 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C(=O)N[C@](C)(C[NH3+])C1CC1 ZINC000565364463 564277652 /nfs/dbraw/zinc/27/76/52/564277652.db2.gz BQGBAPIATUSGOE-QGZVFWFLSA-N 1 0 377.286 2.800 20 0 GFADRO Cc1cc([C@@H]2CCCN2C(=O)C(=O)N[C@@H](C)C[C@@H](C)[NH3+])ccc1Br ZINC000565422485 564279419 /nfs/dbraw/zinc/27/94/19/564279419.db2.gz QSQNMDXPWQPFAC-WWGRRREGSA-N 1 0 396.329 2.663 20 0 GFADRO CC(=O)N1CCC([NH2+]Cc2c(F)ccc(I)c2F)CC1 ZINC000474480661 564279584 /nfs/dbraw/zinc/27/95/84/564279584.db2.gz RIDKOMUNFJMPIP-UHFFFAOYSA-N 1 0 394.203 2.670 20 0 GFADRO C[C@@H]1[C@H](CC(F)(F)F)C[C@H](C)[N@H+]1CCC(=O)NC(=O)NCC(F)(F)F ZINC000451148364 564279729 /nfs/dbraw/zinc/27/97/29/564279729.db2.gz PYFCCUYHTPAIGU-AEJSXWLSSA-N 1 0 377.329 2.816 20 0 GFADRO Cc1nccn1CC[NH2+]Cc1c(F)ccc(I)c1F ZINC000474631597 564284201 /nfs/dbraw/zinc/28/42/01/564284201.db2.gz SMYYKXUVHDUKMG-UHFFFAOYSA-N 1 0 377.176 2.864 20 0 GFADRO O=C(C[C@H]1CSCC[NH2+]1)NC1(c2cccc(Br)c2)CCOCC1 ZINC000565534643 564285755 /nfs/dbraw/zinc/28/57/55/564285755.db2.gz OTAGYOXLOAIVIN-HNNXBMFYSA-N 1 0 399.354 2.666 20 0 GFADRO C[C@@H](C(=O)N(C)C)[N@@H+]1CC[C@@H](Cc2cccc(I)c2)C1 ZINC000451197021 564286546 /nfs/dbraw/zinc/28/65/46/564286546.db2.gz XSERJNDZMISBDI-JSGCOSHPSA-N 1 0 386.277 2.632 20 0 GFADRO COC(=O)C[C@@H]1CC[C@@H]([NH2+]CCNC(=O)c2cccc(Br)c2)[C@H]1C ZINC000474706382 564286966 /nfs/dbraw/zinc/28/69/66/564286966.db2.gz AZPTYDVOQDNLBW-HEHGZKQESA-N 1 0 397.313 2.746 20 0 GFADRO CC[C@H](C)[C@H](C[NH2+]CCS(=O)(=O)c1cccc(Br)c1)OC ZINC000565594700 564288274 /nfs/dbraw/zinc/28/82/74/564288274.db2.gz UMWHBOZPRYEHDG-WFASDCNBSA-N 1 0 378.332 2.874 20 0 GFADRO COc1c(C)cc(C)cc1S(=O)(=O)N1C[C@@H](SC)[C@H]([NH+]2CCCC2)C1 ZINC000509287954 564291986 /nfs/dbraw/zinc/29/19/86/564291986.db2.gz PBBIJFFLGXTMJL-HZPDHXFCSA-N 1 0 384.567 2.512 20 0 GFADRO COC[C@@H](O)CC[NH2+][C@@H](C)CCc1ccc(I)cc1 ZINC000474892587 564292605 /nfs/dbraw/zinc/29/26/05/564292605.db2.gz KFUFJFBABXRWFY-WFASDCNBSA-N 1 0 377.266 2.599 20 0 GFADRO CC(C)[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000509339145 564293873 /nfs/dbraw/zinc/29/38/73/564293873.db2.gz AQHJRDGOKNENTL-HEHGZKQESA-N 1 0 383.945 2.899 20 0 GFADRO CCN(CCO)CC[NH2+]Cc1ccc(OC(F)(F)F)c(Br)c1 ZINC000474927569 564294129 /nfs/dbraw/zinc/29/41/29/564294129.db2.gz FNCDTDHYOYKQEG-UHFFFAOYSA-N 1 0 385.224 2.752 20 0 GFADRO COC(=O)[C@@H]1Cc2c(Br)cccc2CN1CC[C@@H]1CCC[N@@H+]1C ZINC000451279006 564294702 /nfs/dbraw/zinc/29/47/02/564294702.db2.gz PXKNEKFZVGOANF-YOEHRIQHSA-N 1 0 381.314 2.833 20 0 GFADRO CCC1([NH2+]CC(=O)Nc2ccc(Cl)c(S(=O)(=O)N(C)C)c2)CCCC1 ZINC000451277785 564295162 /nfs/dbraw/zinc/29/51/62/564295162.db2.gz SOSGLCSAWVKVRI-UHFFFAOYSA-N 1 0 387.933 2.841 20 0 GFADRO C[NH+]1CCC(O)(CNC(=O)c2ccccc2SCc2cscn2)CC1 ZINC000474992802 564297489 /nfs/dbraw/zinc/29/74/89/564297489.db2.gz WZIPNXGRRZDQKM-UHFFFAOYSA-N 1 0 377.535 2.622 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S(=O)(=O)CC[NH2+]C[C@@H]1CC[C@@H](C)C1 ZINC000565829086 564297492 /nfs/dbraw/zinc/29/74/92/564297492.db2.gz UCLNULNGQPSMGC-HZPDHXFCSA-N 1 0 387.567 2.670 20 0 GFADRO C[C@@H]([NH2+]CCNS(=O)(=O)c1ccc(F)cc1Cl)c1cncc(F)c1 ZINC000509408799 564297546 /nfs/dbraw/zinc/29/75/46/564297546.db2.gz BJZMZJDJFFGLHM-SNVBAGLBSA-N 1 0 375.828 2.642 20 0 GFADRO Cc1c2cccc(Br)c2oc1C(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000542022828 564299600 /nfs/dbraw/zinc/29/96/00/564299600.db2.gz HLNJMJDBWAYNPK-GFCCVEGCSA-N 1 0 381.270 2.906 20 0 GFADRO CCCC[N@H+](C)CCNS(=O)(=O)c1c(Cl)cc(Cl)cc1C(=O)OC ZINC000509433897 564299744 /nfs/dbraw/zinc/29/97/44/564299744.db2.gz VZGOUMUUEQFWQJ-UHFFFAOYSA-N 1 0 397.324 2.790 20 0 GFADRO OC[C@@H](C[NH2+]C[C@@H](O)COc1ccc(Br)cc1)c1ccc(F)cc1 ZINC000565892318 564300477 /nfs/dbraw/zinc/30/04/77/564300477.db2.gz MLHXYVWDOXDCTR-RHSMWYFYSA-N 1 0 398.272 2.694 20 0 GFADRO CC(C)N(CC[NH+](C)C)S(=O)(=O)Cc1ccc(Br)c(F)c1 ZINC000451345346 564302774 /nfs/dbraw/zinc/30/27/74/564302774.db2.gz RUPHLABLZCKFAS-UHFFFAOYSA-N 1 0 381.311 2.690 20 0 GFADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)Nc1cc(Br)c(F)cc1C ZINC000475282179 564304704 /nfs/dbraw/zinc/30/47/04/564304704.db2.gz VDBJTOMCIHIBAL-NSHDSACASA-N 1 0 388.281 2.682 20 0 GFADRO CC(=O)N1CCC[C@@H](C[NH2+]Cc2cn(-c3cccc(Cl)c3Cl)nn2)C1 ZINC000475423667 564307705 /nfs/dbraw/zinc/30/77/05/564307705.db2.gz KXFRMMQPUVYPEV-ZDUSSCGKSA-N 1 0 382.295 2.922 20 0 GFADRO C[C@@H]1CN(C(=O)[C@@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)[C@@H](C)C[N@@H+]1C ZINC000509651536 564307822 /nfs/dbraw/zinc/30/78/22/564307822.db2.gz LALAZHGJOIMQSP-MBNYWOFBSA-N 1 0 384.307 2.897 20 0 GFADRO C[C@@H](Cc1ccccc1Br)NC(=O)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000566087714 564308303 /nfs/dbraw/zinc/30/83/03/564308303.db2.gz GFXXQFHUBDYVIJ-BBRMVZONSA-N 1 0 391.313 2.931 20 0 GFADRO [NH3+][C@H]1CCc2ncc(NC(=O)COc3cccc(Br)c3)cc2C1 ZINC000566100668 564309457 /nfs/dbraw/zinc/30/94/57/564309457.db2.gz CXUHIFPWLWQKKM-ZDUSSCGKSA-N 1 0 376.254 2.678 20 0 GFADRO CN(C)C(=O)C1([NH2+]C[C@@H](O)COc2cccc(Br)c2)CCCCC1 ZINC000451407602 564310262 /nfs/dbraw/zinc/31/02/62/564310262.db2.gz VGSFHDDQGATAGU-OAHLLOKOSA-N 1 0 399.329 2.570 20 0 GFADRO CO[C@H]([C@@H](C)[NH2+]CCS(=O)(=O)c1cccc(Br)c1)C1CC1 ZINC000566121648 564310272 /nfs/dbraw/zinc/31/02/72/564310272.db2.gz MARAFROXTYZZFO-IAQYHMDHSA-N 1 0 376.316 2.626 20 0 GFADRO C[C@@H]1CCC[N@H+](CCNS(=O)(=O)c2ccc(Br)cc2F)C1 ZINC000475526948 564310337 /nfs/dbraw/zinc/31/03/37/564310337.db2.gz BNUGCMYFHYGCOM-LLVKDONJSA-N 1 0 379.295 2.598 20 0 GFADRO Cc1ccc(Br)c(NC(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)[C@H]2C)c1 ZINC000509744333 564312063 /nfs/dbraw/zinc/31/20/63/564312063.db2.gz RUFQZBVJZMBSAU-CJNGLKHVSA-N 1 0 394.313 2.781 20 0 GFADRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NS(=O)(=O)c1ccc(Cl)cc1Br ZINC000542466102 564314463 /nfs/dbraw/zinc/31/44/63/564314463.db2.gz GTVMITZTYXIIQQ-RNCFNFMXSA-N 1 0 393.734 2.864 20 0 GFADRO CNS(=O)(=O)CCC[N@@H+](Cc1cccc(Br)c1)CC1CC1 ZINC000475752019 564317883 /nfs/dbraw/zinc/31/78/83/564317883.db2.gz YMZRUJBXXIFSBQ-UHFFFAOYSA-N 1 0 375.332 2.600 20 0 GFADRO C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)NCC1(c2ccc(Cl)cc2Cl)CCC1 ZINC000566236410 564319542 /nfs/dbraw/zinc/31/95/42/564319542.db2.gz DHOFIJYKIOQRAN-NEPJUHHUSA-N 1 0 386.323 2.773 20 0 GFADRO O=C(COc1ccccc1)N1CC[C@@H]([NH2+]Cc2ccc(Br)o2)C1 ZINC000509992168 564320617 /nfs/dbraw/zinc/32/06/17/564320617.db2.gz YLVYHKCXWYNKSM-CYBMUJFWSA-N 1 0 379.254 2.812 20 0 GFADRO CN1CCO[C@@H]2CCN(C(=O)c3cc4c(Br)cccc4cn3)C[C@H]21 ZINC000451531047 564322377 /nfs/dbraw/zinc/32/23/77/564322377.db2.gz RGCCOQYEFZGXGT-IAGOWNOFSA-N 1 0 390.281 2.542 20 0 GFADRO CN(C)c1cc(NS(=O)(=O)c2cc(Br)cc3c2OCC3)cc[nH+]1 ZINC000542713464 564323191 /nfs/dbraw/zinc/32/31/91/564323191.db2.gz DZQGYDACSHMNNF-UHFFFAOYSA-N 1 0 398.282 2.646 20 0 GFADRO C[C@H]1C[C@@H](NC(=O)NC(C)(C)COc2ncccc2Br)CC[N@@H+]1C ZINC000542748825 564324084 /nfs/dbraw/zinc/32/40/84/564324084.db2.gz UPPWYIWPWHRBPO-STQMWFEESA-N 1 0 399.333 2.783 20 0 GFADRO CO[C@H]1C[C@@H]([N@H+](C)C[C@@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000510154473 564327194 /nfs/dbraw/zinc/32/71/94/564327194.db2.gz KXYZBDWQLMJLOK-UPJWGTAASA-N 1 0 378.694 2.951 20 0 GFADRO CC(C)[C@@H]([NH2+][C@H](C(N)=O)c1ccc(Br)cc1F)[C@@H](CO)C(C)C ZINC000451602707 564330084 /nfs/dbraw/zinc/33/00/84/564330084.db2.gz VSCMXBQDAGYWQJ-IMJJTQAJSA-N 1 0 389.309 2.993 20 0 GFADRO CSc1cccc(S(=O)(=O)NCC2([NH+](C)C)Cc3ccccc3C2)c1 ZINC000510322335 564330191 /nfs/dbraw/zinc/33/01/91/564330191.db2.gz JDHIDXCCNUOKES-UHFFFAOYSA-N 1 0 376.547 2.786 20 0 GFADRO C[C@@H](NC(=O)NCC1=CC[NH2+]CC1)c1cc2c(cc1Br)OCCO2 ZINC000566550601 564331679 /nfs/dbraw/zinc/33/16/79/564331679.db2.gz GCONYZXGLPHHNH-LLVKDONJSA-N 1 0 396.285 2.500 20 0 GFADRO O=S1(=O)CCC(O)(C[NH2+]C2(c3c(Cl)cccc3Cl)CCC2)CC1 ZINC000566542183 564331684 /nfs/dbraw/zinc/33/16/84/564331684.db2.gz GJINCZXUGOTELD-UHFFFAOYSA-N 1 0 378.321 2.902 20 0 GFADRO CN(CCC(=O)N[C@H](CCO)c1ccccc1Br)c1cc[nH+]cc1 ZINC000542917908 564331713 /nfs/dbraw/zinc/33/17/13/564331713.db2.gz NKKQYCRUKJJIKT-QGZVFWFLSA-N 1 0 392.297 2.910 20 0 GFADRO O=C(C[NH2+][C@@H]([C@H](CO)C1CC1)C1CC1)Nc1ccc(Br)cc1F ZINC000451618023 564331939 /nfs/dbraw/zinc/33/19/39/564331939.db2.gz YWDSYJZJGGQHME-CXAGYDPISA-N 1 0 385.277 2.913 20 0 GFADRO O=C(c1ccc(Cl)c(Br)c1)N1CC[C@H](CN2CCOCC2)C1 ZINC000510440899 564332887 /nfs/dbraw/zinc/33/28/87/564332887.db2.gz FSNJLXOKMLJUEP-GFCCVEGCSA-N 1 0 387.705 2.897 20 0 GFADRO CC[NH+]1C[C@@H](C)N(C(=O)c2cc(I)ccc2F)[C@H](C)C1 ZINC000566585059 564333358 /nfs/dbraw/zinc/33/33/58/564333358.db2.gz MMFPLUOKMRCTRS-GHMZBOCLSA-N 1 0 390.240 2.985 20 0 GFADRO CCO[C@H](CC[NH+](C)C)CNC(=O)c1cn(C)nc1-c1ccc(Cl)s1 ZINC000476310973 564334506 /nfs/dbraw/zinc/33/45/06/564334506.db2.gz WDMXFAVXZNJCGG-GFCCVEGCSA-N 1 0 384.933 2.889 20 0 GFADRO Cc1c2cccc(Br)c2oc1C(=O)NC[C@@H](C)N1CC[NH+](C)CC1 ZINC000543009842 564335627 /nfs/dbraw/zinc/33/56/27/564335627.db2.gz KHJGKZLGMQEEMA-GFCCVEGCSA-N 1 0 394.313 2.869 20 0 GFADRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1S(=O)(=O)c1cc(F)ccc1Br ZINC000510522142 564336584 /nfs/dbraw/zinc/33/65/84/564336584.db2.gz GTXPXXOSTULPOK-DGCLKSJQSA-N 1 0 391.306 2.836 20 0 GFADRO COc1ccc(Cl)cc1NC(=O)CCN1CCCC[C@H]1CS(C)(=O)=O ZINC000451662553 564337392 /nfs/dbraw/zinc/33/73/92/564337392.db2.gz VUSJPAAFZJGZMJ-AWEZNQCLSA-N 1 0 388.917 2.576 20 0 GFADRO C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000566737105 564340786 /nfs/dbraw/zinc/34/07/86/564340786.db2.gz XYBKYMAEYJDAQF-AVGNSLFASA-N 1 0 386.323 2.993 20 0 GFADRO CC[NH+](CC)CC[C@@H](CO)NC(=O)Nc1cc(Br)ccc1F ZINC000566869908 564346352 /nfs/dbraw/zinc/34/63/52/564346352.db2.gz ZXQJOMGGZRBEIT-LBPRGKRZSA-N 1 0 376.270 2.803 20 0 GFADRO [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)NCCOc1ccc(Br)cc1 ZINC000566862562 564346686 /nfs/dbraw/zinc/34/66/86/564346686.db2.gz LKUWWMKLSMNTFY-FFMGESDNSA-N 1 0 382.302 2.643 20 0 GFADRO CC(C)[C@](C)([NH2+]CCS(=O)(=O)N(C)C)c1ccc(Br)cc1 ZINC000510797609 564347459 /nfs/dbraw/zinc/34/74/59/564347459.db2.gz PJJFTLSXURDMAB-HNNXBMFYSA-N 1 0 377.348 2.801 20 0 GFADRO Cc1cccc(C[NH+]2CCN(c3cc(Br)cnc3C(N)=O)CC2)c1 ZINC000543398774 564349758 /nfs/dbraw/zinc/34/97/58/564349758.db2.gz RTTIUOLWNSAVOL-UHFFFAOYSA-N 1 0 389.297 2.574 20 0 GFADRO CCOC[C@@H]1CCC[C@H]1[NH2+]CCNS(=O)(=O)c1ccc(F)cc1Cl ZINC000510978037 564351778 /nfs/dbraw/zinc/35/17/78/564351778.db2.gz KPCYDIDXTCFWME-SWLSCSKDSA-N 1 0 378.897 2.552 20 0 GFADRO O=C([C@H]1CCc2cc(Br)ccc21)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000566976886 564352407 /nfs/dbraw/zinc/35/24/07/564352407.db2.gz PXICJZZEVWPMEC-KDOFPFPSSA-N 1 0 393.325 2.660 20 0 GFADRO C[C@H](CC1CCOCC1)[NH2+]CCNS(=O)(=O)c1ccc(F)cc1Cl ZINC000510984283 564352878 /nfs/dbraw/zinc/35/28/78/564352878.db2.gz JZUSSHQOGUNLCA-GFCCVEGCSA-N 1 0 378.897 2.552 20 0 GFADRO Cc1cc(I)ccc1NC(=O)C[NH2+][C@H]1COCC1(C)C ZINC000451810129 564354366 /nfs/dbraw/zinc/35/43/66/564354366.db2.gz OCXLNLLOUODZOF-ZDUSSCGKSA-N 1 0 388.249 2.553 20 0 GFADRO Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000567115412 564358243 /nfs/dbraw/zinc/35/82/43/564358243.db2.gz XPCXTDDILHKROE-UHFFFAOYSA-N 1 0 378.826 2.997 20 0 GFADRO CC[C@@H](C)[NH+]1CCN(C[C@H](O)COc2cc(F)cc(Br)c2)CC1 ZINC000451843147 564358652 /nfs/dbraw/zinc/35/86/52/564358652.db2.gz NNNSJPPFIYHPEJ-CJNGLKHVSA-N 1 0 389.309 2.744 20 0 GFADRO C[NH+](C)CCCC(C)(C)NS(=O)(=O)Cc1ccccc1Br ZINC000451882313 564362447 /nfs/dbraw/zinc/36/24/47/564362447.db2.gz COIHALITZQIZSQ-UHFFFAOYSA-N 1 0 377.348 2.989 20 0 GFADRO COc1cc(Br)c(CN2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)cc1O ZINC000567243054 564363170 /nfs/dbraw/zinc/36/31/70/564363170.db2.gz MQZNOEPHKWDYKT-WMLDXEAASA-N 1 0 399.329 2.882 20 0 GFADRO CS[C@@H]1CN(S(=O)(=O)c2cc(C)c(F)cc2Cl)C[C@H]1[NH+]1CCCC1 ZINC000477117732 564365389 /nfs/dbraw/zinc/36/53/89/564365389.db2.gz JLYYJFYKPVMQSB-HUUCEWRRSA-N 1 0 392.949 2.988 20 0 GFADRO CC(C)[N@@H+]1CCC[C@@H](NS(=O)(=O)Cc2ccc(Br)cc2)C1 ZINC000477125908 564365417 /nfs/dbraw/zinc/36/54/17/564365417.db2.gz JHMCTCFHDQRKQK-OAHLLOKOSA-N 1 0 375.332 2.741 20 0 GFADRO CSC1(CNC(=O)C(=O)Nc2cccc3ccsc32)CC[NH+](C)CC1 ZINC000567317390 564365969 /nfs/dbraw/zinc/36/59/69/564365969.db2.gz PBJOTUSMYXRXRU-UHFFFAOYSA-N 1 0 377.535 2.783 20 0 GFADRO CS[C@H]1CN(S(=O)(=O)c2ccc(F)cc2Cl)C[C@@H]1[NH+]1CCCC1 ZINC000477129167 564366170 /nfs/dbraw/zinc/36/61/70/564366170.db2.gz URMIVCRRLIBPBO-KBPBESRZSA-N 1 0 378.922 2.679 20 0 GFADRO C[C@@H](c1cccc(Br)c1)N1CC[NH+]([C@H]2CCNC(=O)CC2)CC1 ZINC000451914136 564366521 /nfs/dbraw/zinc/36/65/21/564366521.db2.gz DGNYFJLWLPBALM-WMLDXEAASA-N 1 0 380.330 2.796 20 0 GFADRO CN(Cc1c(F)cccc1Cl)S(=O)(=O)NC(C)(C)CCC[NH+](C)C ZINC000451918475 564366565 /nfs/dbraw/zinc/36/65/65/564366565.db2.gz YGECKTJEWVHYNZ-UHFFFAOYSA-N 1 0 379.929 2.866 20 0 GFADRO COc1cc(Br)ccc1CCCNC(=O)COC1CCC([NH3+])CC1 ZINC000567383459 564368684 /nfs/dbraw/zinc/36/86/84/564368684.db2.gz BEGDCBODFFFDMQ-UHFFFAOYSA-N 1 0 399.329 2.793 20 0 GFADRO C[C@H](CC[NH3+])NC(=O)c1nn(-c2cccc(Br)c2)c2c1CCC2 ZINC000477222791 564369638 /nfs/dbraw/zinc/36/96/38/564369638.db2.gz NJYWEAYPJUPQTM-LLVKDONJSA-N 1 0 377.286 2.591 20 0 GFADRO COc1cc(Br)ccc1CCC(=O)N1CC[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000543940899 564369730 /nfs/dbraw/zinc/36/97/30/564369730.db2.gz BCBHYCNVFDJJNB-CJNGLKHVSA-N 1 0 381.314 2.943 20 0 GFADRO CS(=O)(=O)N1CCC([NH2+][C@H]2CCCc3c(Br)cccc32)CC1 ZINC000544033382 564372463 /nfs/dbraw/zinc/37/24/63/564372463.db2.gz UAKXSBDKRKTWOV-INIZCTEOSA-N 1 0 387.343 2.840 20 0 GFADRO C[C@H](CC[NH3+])NC(=O)c1cccc(NC(=O)c2ccc(Br)o2)c1 ZINC000477323079 564373086 /nfs/dbraw/zinc/37/30/86/564373086.db2.gz XQMWHSCRSLOMHO-SNVBAGLBSA-N 1 0 380.242 2.762 20 0 GFADRO COCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](Cc2ccc(Br)s2)C1 ZINC000511503131 564374377 /nfs/dbraw/zinc/37/43/77/564374377.db2.gz GETCLMIXRMMHRR-VXGBXAGGSA-N 1 0 375.332 2.874 20 0 GFADRO C[C@H]([NH3+])[C@H](C)NC(=O)c1cccc(NC(=O)c2ccc(Br)o2)c1 ZINC000567501111 564374699 /nfs/dbraw/zinc/37/46/99/564374699.db2.gz CFDRXAHZNHRNMS-UWVGGRQHSA-N 1 0 380.242 2.760 20 0 GFADRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNS(=O)(=O)c1ccc(OCC(F)F)cc1 ZINC000544121088 564376337 /nfs/dbraw/zinc/37/63/37/564376337.db2.gz ZVORLROPRSETRQ-OKILXGFUSA-N 1 0 376.469 2.872 20 0 GFADRO Cc1cccc(OC[C@@H](O)C[NH2+][C@](C)(CO)c2ccc(Br)cc2)c1 ZINC000511566779 564376906 /nfs/dbraw/zinc/37/69/06/564376906.db2.gz NXRKUJDOGBCJML-PKOBYXMFSA-N 1 0 394.309 2.995 20 0 GFADRO C[C@@](CO)([NH2+]CC(=O)NCC1CCCCC1)c1ccc(Br)cc1 ZINC000511604878 564377473 /nfs/dbraw/zinc/37/74/73/564377473.db2.gz NZEGJCYAMLQBMS-SFHVURJKSA-N 1 0 383.330 2.943 20 0 GFADRO Cc1ccsc1CNC(=O)C[NH2+][C@](C)(CO)c1ccc(Br)cc1 ZINC000511622449 564377798 /nfs/dbraw/zinc/37/77/98/564377798.db2.gz KVVAQYCQNVXONW-QGZVFWFLSA-N 1 0 397.338 2.933 20 0 GFADRO Cc1ccc(Br)cc1S(=O)(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000567588266 564378387 /nfs/dbraw/zinc/37/83/87/564378387.db2.gz RKIOZPZFQWXBDB-CQSZACIVSA-N 1 0 387.343 2.768 20 0 GFADRO CS(=O)(=O)N1CC[C@@H]([NH2+][C@@H](Cc2cccnc2)c2cccc(Cl)c2)C1 ZINC000567619190 564380386 /nfs/dbraw/zinc/38/03/86/564380386.db2.gz QJQCQFQRQTZORI-MSOLQXFVSA-N 1 0 379.913 2.642 20 0 GFADRO O=C(Cn1cc(Br)cn1)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000511770875 564381540 /nfs/dbraw/zinc/38/15/40/564381540.db2.gz UCZKNSGGUYLMGQ-CYBMUJFWSA-N 1 0 383.315 2.660 20 0 GFADRO CN1CC[C@@H](C[NH2+][C@H](c2ccc(Br)cc2)c2cncnc2)CC1=O ZINC000567663143 564382563 /nfs/dbraw/zinc/38/25/63/564382563.db2.gz BHLUANCAOCQMSQ-FZKQIMNGSA-N 1 0 389.297 2.787 20 0 GFADRO CC[NH+]1CCC(CNS(=O)(=O)c2cccc(Br)c2C)CC1 ZINC000567668948 564382589 /nfs/dbraw/zinc/38/25/89/564382589.db2.gz AAXYYACDCWXMSI-UHFFFAOYSA-N 1 0 375.332 2.768 20 0 GFADRO O=C(c1ccccc1Cl)N1CCC([NH2+]C[C@@H]2CCCCS2(=O)=O)CC1 ZINC000544369470 564383986 /nfs/dbraw/zinc/38/39/86/564383986.db2.gz VQMRPSYGHBXBGN-HNNXBMFYSA-N 1 0 384.929 2.502 20 0 GFADRO CCCCN(C(=O)C[NH2+][C@H](c1cccs1)C1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000544400788 564384629 /nfs/dbraw/zinc/38/46/29/564384629.db2.gz VZFPMLRJLWCBNJ-QAPCUYQASA-N 1 0 384.567 2.605 20 0 GFADRO CCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@@H](CO)c1ccc(Br)cc1 ZINC000511907473 564384641 /nfs/dbraw/zinc/38/46/41/564384641.db2.gz BHROIGBACGYDFW-HOTGVXAUSA-N 1 0 384.318 2.656 20 0 GFADRO C[C@H]([NH2+]C[C@@H]1CCCCS1)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000544383719 564384831 /nfs/dbraw/zinc/38/48/31/564384831.db2.gz GNBNPZXKVARRRX-RDJZCZTQSA-N 1 0 384.567 2.644 20 0 GFADRO CC[C@H]1C[N@H+](C)CCN1Cc1noc(Cc2ccc(Br)cc2)n1 ZINC000567725154 564385558 /nfs/dbraw/zinc/38/55/58/564385558.db2.gz XZHYWJGJTQCGML-HNNXBMFYSA-N 1 0 379.302 2.949 20 0 GFADRO CC[NH+]1CCN(CC(C)(C)NS(=O)(=O)c2ccc(C(C)(C)C)s2)CC1 ZINC000452043503 564385913 /nfs/dbraw/zinc/38/59/13/564385913.db2.gz BDTJQBXFCHNKQX-UHFFFAOYSA-N 1 0 387.615 2.740 20 0 GFADRO Brc1cccc(Cc2noc(CN3CC[C@@]4(C3)CCC[NH2+]C4)n2)c1 ZINC000567735680 564386467 /nfs/dbraw/zinc/38/64/67/564386467.db2.gz PHTINNSFCNGXOV-SFHVURJKSA-N 1 0 391.313 2.998 20 0 GFADRO O=C(CCNC(=O)[C@H]1CCC[NH2+]1)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000567785790 564388208 /nfs/dbraw/zinc/38/82/08/564388208.db2.gz RBWHWDXCDPJDOE-CVEARBPZSA-N 1 0 384.307 2.915 20 0 GFADRO CO[C@@H](CC[NH2+]Cc1ncc(I)s1)C(F)(F)F ZINC000511992382 564388612 /nfs/dbraw/zinc/38/86/12/564388612.db2.gz UPMJXHVKDBOUKZ-LURJTMIESA-N 1 0 380.173 2.805 20 0 GFADRO CC[N@@H+]1CCC[C@@H](CNC(=O)c2cccc(F)c2I)C1 ZINC000544553324 564388583 /nfs/dbraw/zinc/38/85/83/564388583.db2.gz CIMKFXUZJOPEFM-NSHDSACASA-N 1 0 390.240 2.892 20 0 GFADRO Cc1cccc(S(=O)(=O)NC(C)(C)C[NH+]2CCCC2)c1Br ZINC000452077700 564389457 /nfs/dbraw/zinc/38/94/57/564389457.db2.gz CONDADCWEMJFKI-UHFFFAOYSA-N 1 0 375.332 2.910 20 0 GFADRO CC1(C)CCC[N@@H+]1CCNS(=O)(=O)Cc1ccc(Br)cc1 ZINC000452081201 564389497 /nfs/dbraw/zinc/38/94/97/564389497.db2.gz DDRYGRDAXWEAJL-UHFFFAOYSA-N 1 0 375.332 2.743 20 0 GFADRO Cc1cc([C@@H](C)[NH2+]C[C@H]2CCCN2S(C)(=O)=O)sc1Br ZINC000512044568 564390496 /nfs/dbraw/zinc/39/04/96/564390496.db2.gz GHENJXOUYFOUEH-GHMZBOCLSA-N 1 0 381.361 2.894 20 0 GFADRO [NH3+]C1(CNC(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)c(Cl)c3)C2)CCC1 ZINC000567815577 564390930 /nfs/dbraw/zinc/39/09/30/564390930.db2.gz FJDYIYUNNVWOGC-CYBMUJFWSA-N 1 0 384.307 2.843 20 0 GFADRO COc1ccc(Br)c(CC(=O)N2CCC([NH2+]CC3CC3)CC2)c1 ZINC000567831025 564390982 /nfs/dbraw/zinc/39/09/82/564390982.db2.gz HXWZIKYRBSKNNU-UHFFFAOYSA-N 1 0 381.314 2.991 20 0 GFADRO O=C([C@H]1COc2ccc(Br)cc21)N1CCC2(CC[NH2+]CC2)CC1 ZINC000477944195 564391253 /nfs/dbraw/zinc/39/12/53/564391253.db2.gz KOIHNIKNVFQHDX-HNNXBMFYSA-N 1 0 379.298 2.917 20 0 GFADRO CCOCCOC[C@H](O)C[NH2+][C@@H]1CCCOc2cc(Br)ccc21 ZINC000477950913 564391497 /nfs/dbraw/zinc/39/14/97/564391497.db2.gz UUDFXPXVDWESNT-GDBMZVCRSA-N 1 0 388.302 2.666 20 0 GFADRO COc1ccc(S(=O)(=O)N(C)[C@@H]2CC[N@@H+](C(C)C)C2)cc1Br ZINC000452096973 564391482 /nfs/dbraw/zinc/39/14/82/564391482.db2.gz PLLOTQWNSMOKTB-GFCCVEGCSA-N 1 0 391.331 2.561 20 0 GFADRO C[C@@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH2+][C@H]1CCCNC1=O ZINC000512112084 564392377 /nfs/dbraw/zinc/39/23/77/564392377.db2.gz CUFAULRKLBEROU-CABZTGNLSA-N 1 0 377.794 2.944 20 0 GFADRO CC[NH+](CC)CCOCCNC(=O)NCc1ccc(Br)c(F)c1 ZINC000544661167 564392421 /nfs/dbraw/zinc/39/24/21/564392421.db2.gz IGPPOPCCYXHGGK-UHFFFAOYSA-N 1 0 390.297 2.746 20 0 GFADRO CCOC(=O)c1cc(Cl)cc(S(=O)(=O)N(C)[C@@H]2CC[N@@H+](C(C)C)C2)c1 ZINC000452105326 564392672 /nfs/dbraw/zinc/39/26/72/564392672.db2.gz NUVLCRCMVQKPOO-OAHLLOKOSA-N 1 0 388.917 2.620 20 0 GFADRO C[C@@H]([NH3+])C[C@H](C)NS(=O)(=O)c1ccc(Br)c(C(F)(F)F)c1 ZINC000567859544 564393086 /nfs/dbraw/zinc/39/30/86/564393086.db2.gz GQHPQVCNINZJNE-SFYZADRCSA-N 1 0 389.237 2.872 20 0 GFADRO CC(C)[C@H](O)C(C)(C)C[NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000567872624 564393625 /nfs/dbraw/zinc/39/36/25/564393625.db2.gz CFMWQUOJNKCOGG-ZBFHGGJFSA-N 1 0 392.309 2.961 20 0 GFADRO C[C@H](CNCc1ncc(I)s1)[N@@H+]1CCC[C@H](C)C1 ZINC000512148380 564393911 /nfs/dbraw/zinc/39/39/11/564393911.db2.gz NXZJETSJTHXQMI-WDEREUQCSA-N 1 0 379.311 2.958 20 0 GFADRO CC(C)[N@@H+]1CC[C@@H](N(C)C[C@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000452110829 564394028 /nfs/dbraw/zinc/39/40/28/564394028.db2.gz AOMTWPUERFXWLA-CVEARBPZSA-N 1 0 389.309 2.742 20 0 GFADRO C[C@H]1CSC[C@@H]1[NH2+]CC(=O)Nc1cccc(I)c1 ZINC000512214139 564394352 /nfs/dbraw/zinc/39/43/52/564394352.db2.gz UWCKGCUKJAQBQR-CABZTGNLSA-N 1 0 376.263 2.571 20 0 GFADRO Cc1cc(Br)cn2cc(CCNC(=O)N[C@@H](C)CC[NH+](C)C)nc12 ZINC000544682891 564394125 /nfs/dbraw/zinc/39/41/25/564394125.db2.gz RXFDYJPTPZPPBO-ZDUSSCGKSA-N 1 0 396.333 2.587 20 0 GFADRO CC(C)[N@@H+]1CC[C@H](N(C)S(=O)(=O)Cc2ccc(Br)c(F)c2)C1 ZINC000452109629 564394271 /nfs/dbraw/zinc/39/42/71/564394271.db2.gz YSRPUQUAGUBCFH-ZDUSSCGKSA-N 1 0 393.322 2.833 20 0 GFADRO CC(C)[N@@H+]1CC[C@H](N(C)CC(=O)N(C)Cc2ccccc2Br)C1 ZINC000452118364 564394897 /nfs/dbraw/zinc/39/48/97/564394897.db2.gz OTXKJHJHBQRCDQ-INIZCTEOSA-N 1 0 382.346 2.822 20 0 GFADRO [NH3+]C[C@H]1c2ccccc2CCN1C(=O)c1[nH]nc(C2CC2)c1Br ZINC000567927047 564396686 /nfs/dbraw/zinc/39/66/86/564396686.db2.gz SZJSSRDIAMECMQ-ZDUSSCGKSA-N 1 0 375.270 2.748 20 0 GFADRO OCC1([NH2+]C[C@@H](O)COc2cc(Cl)ccc2Cl)Cc2ccccc2C1 ZINC000512304407 564396661 /nfs/dbraw/zinc/39/66/61/564396661.db2.gz JOBBLPZAGBOHAW-MRXNPFEDSA-N 1 0 382.287 2.853 20 0 GFADRO C[C@@H]([NH3+])C[C@H](C)NC(=O)CCCOc1ccc(I)cc1 ZINC000567925932 564396841 /nfs/dbraw/zinc/39/68/41/564396841.db2.gz YEJJJUZNHGIZCG-NEPJUHHUSA-N 1 0 390.265 2.692 20 0 GFADRO CNC(=O)CC[NH2+]Cc1cn(-c2ccc(Br)cc2)nc1C(C)C ZINC000478312709 564399228 /nfs/dbraw/zinc/39/92/28/564399228.db2.gz KKXNMXWLWCTMKV-UHFFFAOYSA-N 1 0 379.302 2.984 20 0 GFADRO CC[NH+](CC)CCN(C(=O)c1cc(C)n(C)n1)c1ccc(Br)cn1 ZINC000567992430 564399607 /nfs/dbraw/zinc/39/96/07/564399607.db2.gz QTWZEJAFYLHYLB-UHFFFAOYSA-N 1 0 394.317 2.875 20 0 GFADRO C[C@@H](Oc1ccc(Cl)c(Cl)c1)C(=O)N[C@@H](CO)C[NH+]1CCCCC1 ZINC000512389524 564399800 /nfs/dbraw/zinc/39/98/00/564399800.db2.gz NGUMFVIWRMHHKX-CHWSQXEVSA-N 1 0 375.296 2.724 20 0 GFADRO CSc1nccn1-c1ccc(C(=O)N2C[C@H](SC)[C@@H]([NH+](C)C)C2)cc1 ZINC000478405021 564401452 /nfs/dbraw/zinc/40/14/52/564401452.db2.gz ZHTMSNOHGCZLSZ-HOTGVXAUSA-N 1 0 376.551 2.712 20 0 GFADRO C[NH+]1CCC(C(=O)NCc2ccc(I)cc2Cl)CC1 ZINC000478522208 564405997 /nfs/dbraw/zinc/40/59/97/564405997.db2.gz NCTBHVGZQIOEFF-UHFFFAOYSA-N 1 0 392.668 2.903 20 0 GFADRO CC[C@@H](C(=O)N1CCNC(=O)[C@H]1c1ccc(Br)cc1)[NH+](CC)CC ZINC000478540391 564406529 /nfs/dbraw/zinc/40/65/29/564406529.db2.gz RVJRRTYMFIPTPN-JKSUJKDBSA-N 1 0 396.329 2.569 20 0 GFADRO C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)NC[C@@H]1CCC[N@@H+]1CCCO ZINC000452350498 564408027 /nfs/dbraw/zinc/40/80/27/564408027.db2.gz OMPXBYLGXMIZHN-STQMWFEESA-N 1 0 375.296 2.724 20 0 GFADRO Cc1cc(C(C)(C)C(=O)NC[C@H]2CCC[N@@H+]2CCCO)ccc1Br ZINC000452358036 564408249 /nfs/dbraw/zinc/40/82/49/564408249.db2.gz FRGNNQOTEPVQNS-MRXNPFEDSA-N 1 0 397.357 2.998 20 0 GFADRO Cc1cc(Br)cc(C)c1S(=O)(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000512708615 564408643 /nfs/dbraw/zinc/40/86/43/564408643.db2.gz UWDZMOXKGKHYKV-CABCVRRESA-N 1 0 387.343 2.971 20 0 GFADRO CC(C)(C(=O)NC[C@@H]1CCC[N@@H+]1CCCO)c1cccc(Br)c1 ZINC000452369332 564408914 /nfs/dbraw/zinc/40/89/14/564408914.db2.gz RSHHGEULHAQGII-INIZCTEOSA-N 1 0 383.330 2.690 20 0 GFADRO CC(C)(C(=O)NC[C@H]1CCC[N@@H+]1CCCO)c1ccc(Br)cc1 ZINC000452358509 564408997 /nfs/dbraw/zinc/40/89/97/564408997.db2.gz GJSJWFGUFVFJOL-MRXNPFEDSA-N 1 0 383.330 2.690 20 0 GFADRO O=C(N[C@H]1CCC[N@@H+](CCCO)C1)c1cc(Br)cc2cccnc21 ZINC000452383046 564411064 /nfs/dbraw/zinc/41/10/64/564411064.db2.gz NYASEQNPTMCURD-HNNXBMFYSA-N 1 0 392.297 2.574 20 0 GFADRO CCn1ccnc1[C@@H](C)[NH2+]C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000568255509 564411185 /nfs/dbraw/zinc/41/11/85/564411185.db2.gz KJNBRGXQHUMBLM-RISCZKNCSA-N 1 0 386.265 2.895 20 0 GFADRO O=C(NC[C@@H]1CCCC[N@H+]1CCO)c1cc(Cl)c(Br)cc1F ZINC000452381476 564411630 /nfs/dbraw/zinc/41/16/30/564411630.db2.gz VXIXJPMAIKNQHR-JTQLQIEISA-N 1 0 393.684 2.818 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)C2(c3cccc(Br)c3)CCCCC2)CCO1 ZINC000478715031 564412820 /nfs/dbraw/zinc/41/28/20/564412820.db2.gz HAXOBXLOQRSDOY-INIZCTEOSA-N 1 0 381.314 2.837 20 0 GFADRO O=C(N[C@H]1CCC[N@@H+](CCCO)C1)c1ccc(Br)c(Cl)c1 ZINC000452386905 564413193 /nfs/dbraw/zinc/41/31/93/564413193.db2.gz YJAHGJBPOPENIP-LBPRGKRZSA-N 1 0 375.694 2.679 20 0 GFADRO CN(Cc1ccccc1Br)C(=O)C[N@@H+]1CC[C@@H](COC(F)F)C1 ZINC000512844679 564413943 /nfs/dbraw/zinc/41/39/43/564413943.db2.gz OOZVZOXLQDBXLH-GFCCVEGCSA-N 1 0 391.256 2.969 20 0 GFADRO O=C1c2ccccc2C(=O)N1CCC[NH2+]Cc1cc(O)ccc1Br ZINC000512868374 564414512 /nfs/dbraw/zinc/41/45/12/564414512.db2.gz BRRNGLXZCORXPW-UHFFFAOYSA-N 1 0 389.249 2.931 20 0 GFADRO Cc1ccc(C[NH2+]C[C@H]2CCCC[C@@H]2NS(C)(=O)=O)cc1Br ZINC000512860591 564414579 /nfs/dbraw/zinc/41/45/79/564414579.db2.gz JOVTYNUUVDDFEN-ZBFHGGJFSA-N 1 0 389.359 2.955 20 0 GFADRO C[C@H]1C[C@@H](C(=O)NCc2cc(Cl)cc(I)c2)CC[NH2+]1 ZINC000568389055 564416774 /nfs/dbraw/zinc/41/67/74/564416774.db2.gz MCMOTPRRXOCLDQ-ONGXEEELSA-N 1 0 392.668 2.949 20 0 GFADRO COc1cc(Cl)c(C[NH2+]C[C@H]2CCCCN2S(C)(=O)=O)cc1Cl ZINC000512992633 564416916 /nfs/dbraw/zinc/41/69/16/564416916.db2.gz MRJAJXQNLJMCAP-GFCCVEGCSA-N 1 0 381.325 2.906 20 0 GFADRO CC[NH+](CC)CCOCCNC(=O)N(C)Cc1ccccc1Br ZINC000545336429 564417830 /nfs/dbraw/zinc/41/78/30/564417830.db2.gz VDHOVRHFOFNLCZ-UHFFFAOYSA-N 1 0 386.334 2.949 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000478966873 564420652 /nfs/dbraw/zinc/42/06/52/564420652.db2.gz UVBDZISKRMQZHS-GJZGRUSLSA-N 1 0 396.329 2.939 20 0 GFADRO COC(=O)C[C@@](C)([NH2+]C[C@H](O)CSC)c1ccc(Br)cc1 ZINC000513122044 564420850 /nfs/dbraw/zinc/42/08/50/564420850.db2.gz LDCJLWIQVFESJY-DZGCQCFKSA-N 1 0 376.316 2.541 20 0 GFADRO COC(=O)C[C@](C)([NH2+]C[C@@H](O)C(F)(F)F)c1ccc(Br)cc1 ZINC000513121288 564421143 /nfs/dbraw/zinc/42/11/43/564421143.db2.gz BKRNKAUEYZIJEF-YPMHNXCESA-N 1 0 384.192 2.740 20 0 GFADRO O=C(NCC[NH2+][C@H](c1ccc(Br)cc1F)C1CC1)c1cnccn1 ZINC000479055861 564423766 /nfs/dbraw/zinc/42/37/66/564423766.db2.gz HQYGDRYTVHBFIV-INIZCTEOSA-N 1 0 393.260 2.849 20 0 GFADRO CNC(=O)CC[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(Br)cc1 ZINC000513185391 564424151 /nfs/dbraw/zinc/42/41/51/564424151.db2.gz ZJMYTSFJNGQLNY-HNNXBMFYSA-N 1 0 382.302 2.768 20 0 GFADRO CCn1c(CNC(=O)NCC[C@H]2CC[NH2+]C2)nc2cc(Br)ccc21 ZINC000568609732 564426626 /nfs/dbraw/zinc/42/66/26/564426626.db2.gz JSSNLRLXPMIUMY-GFCCVEGCSA-N 1 0 394.317 2.618 20 0 GFADRO CCN(CCC[NH+]1CCCC1)C(=O)C(=O)NCc1c(Cl)cccc1Cl ZINC000568610399 564426666 /nfs/dbraw/zinc/42/66/66/564426666.db2.gz FLNUMKFIUIDGHB-UHFFFAOYSA-N 1 0 386.323 2.944 20 0 GFADRO CN(CC[NH+](C)C)c1ccc(Br)cc1NC(=O)CN1CC(C)(C)C1 ZINC000568662598 564429126 /nfs/dbraw/zinc/42/91/26/564429126.db2.gz FBIAZNBVRCVDGL-UHFFFAOYSA-N 1 0 397.361 2.727 20 0 GFADRO C[C@@H]([NH2+]CCN1CCOC[C@H]1C)c1ccc(F)c(I)c1 ZINC000453111219 564446915 /nfs/dbraw/zinc/44/69/15/564446915.db2.gz RDJZKMZPBYKAIF-VXGBXAGGSA-N 1 0 392.256 2.802 20 0 GFADRO Cn1cc(Br)c(CNC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)n1 ZINC000452754265 564429680 /nfs/dbraw/zinc/42/96/80/564429680.db2.gz KHDSSQKNZMBYTJ-OAHLLOKOSA-N 1 0 391.313 2.711 20 0 GFADRO O=C(CCOc1cccc(Cl)c1Cl)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000452793146 564431616 /nfs/dbraw/zinc/43/16/16/564431616.db2.gz CXKSWJBYJZCUNZ-CYBMUJFWSA-N 1 0 375.296 2.725 20 0 GFADRO Cc1cc(Br)cc(Cl)c1C(=O)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000452801480 564432188 /nfs/dbraw/zinc/43/21/88/564432188.db2.gz YQNHTRCATXDUJO-ZDUSSCGKSA-N 1 0 389.721 2.988 20 0 GFADRO CC(=O)c1cc(Br)ccc1OCC(=O)N1CCN(C)C[C@H]1C(C)C ZINC000513594639 564432832 /nfs/dbraw/zinc/43/28/32/564432832.db2.gz CHTDFIQAUZGNGB-INIZCTEOSA-N 1 0 397.313 2.829 20 0 GFADRO CC[N@H+](CCNC(=O)c1ccc2c(c1)SCC(=O)N2)CCC(F)(F)F ZINC000568819080 564436229 /nfs/dbraw/zinc/43/62/29/564436229.db2.gz AYUQUWCDSFVXSO-UHFFFAOYSA-N 1 0 375.416 2.735 20 0 GFADRO Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)[NH2+]C[C@@H](c1ccsc1)N(C)C ZINC000479346676 564437622 /nfs/dbraw/zinc/43/76/22/564437622.db2.gz GLSYRHBDIGZNFH-YOEHRIQHSA-N 1 0 381.567 2.966 20 0 GFADRO CO[C@@H]1COCC[C@@H]1C[NH2+][C@H](C)c1ccc(I)cc1 ZINC000453288308 564452187 /nfs/dbraw/zinc/45/21/87/564452187.db2.gz JLEOOYRASREYEX-UXIGCNINSA-N 1 0 375.250 2.993 20 0 GFADRO COc1ccc(C(=O)N2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)c(Br)c1 ZINC000568870169 564439238 /nfs/dbraw/zinc/43/92/38/564439238.db2.gz SUXWZYDRECLLQM-DLBZAZTESA-N 1 0 397.313 2.816 20 0 GFADRO O=C(NCC[NH2+][C@H](c1ccc(Br)cc1F)C1CC1)c1ccn[nH]1 ZINC000479433176 564439646 /nfs/dbraw/zinc/43/96/46/564439646.db2.gz YUZRYAYHYPARSE-HNNXBMFYSA-N 1 0 381.249 2.782 20 0 GFADRO CC1(C)[NH2+]CC[C@@H]1NC(=O)Nc1nnc(-c2cccc(Br)c2)s1 ZINC000568972334 564443581 /nfs/dbraw/zinc/44/35/81/564443581.db2.gz PRRZOHHHQMDCES-NSHDSACASA-N 1 0 396.314 3.230 20 0 GFADRO CO[C@@H]1CCN(C(=O)c2cc(Br)cc(OC(C)C)c2)[C@@H](C[NH3+])C1 ZINC000568989838 564444252 /nfs/dbraw/zinc/44/42/52/564444252.db2.gz OIRSOXCZTFKOTM-HUUCEWRRSA-N 1 0 385.302 2.815 20 0 GFADRO C[N@H+](C[C@@H](O)COc1ccc(I)c(Cl)c1)C1CC1 ZINC000453040634 564444536 /nfs/dbraw/zinc/44/45/36/564444536.db2.gz QQPSWEMYTZJFLR-SNVBAGLBSA-N 1 0 381.641 2.779 20 0 GFADRO O=C(NCCOc1ccc(Br)cc1)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000514048978 564444923 /nfs/dbraw/zinc/44/49/23/564444923.db2.gz HQPLJTGCXPSIRZ-GJZGRUSLSA-N 1 0 382.302 2.754 20 0 GFADRO C[N@H+](C[C@H](O)COc1ccc(Br)cc1)[C@H](CO)c1ccccc1 ZINC000479616304 564445489 /nfs/dbraw/zinc/44/54/89/564445489.db2.gz JZYUBEAVVLPTFE-FUHWJXTLSA-N 1 0 380.282 2.854 20 0 GFADRO COC1([C@H](C)[NH2+]CCCNC(=O)c2ccc(Br)cc2)CCOCC1 ZINC000453083820 564445805 /nfs/dbraw/zinc/44/58/05/564445805.db2.gz FGXAFWIJZNHLJB-AWEZNQCLSA-N 1 0 399.329 2.743 20 0 GFADRO CCS(=O)(=O)N(C)CCC[NH2+][C@H](Cc1ccccc1Cl)[C@@H]1CCCO1 ZINC000453067166 564445984 /nfs/dbraw/zinc/44/59/84/564445984.db2.gz XFPHKHLTELVMIT-MSOLQXFVSA-N 1 0 388.961 2.691 20 0 GFADRO CC(C)[C@@H](Cn1cccn1)[NH2+]CCNC(=O)c1cccc(Br)c1 ZINC000453134486 564447447 /nfs/dbraw/zinc/44/74/47/564447447.db2.gz FKVCLBMUHLCBEW-MRXNPFEDSA-N 1 0 379.302 2.690 20 0 GFADRO CSCC[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)N[C@H](C)[C@H](C)[NH3+] ZINC000569119416 564450177 /nfs/dbraw/zinc/45/01/77/564450177.db2.gz NLRKXWIXMFGUGC-RBZYPMLTSA-N 1 0 392.352 2.697 20 0 GFADRO COC[C@](C)(O)CC[NH2+][C@@H](C)c1ccc(F)c(I)c1 ZINC000453244548 564450650 /nfs/dbraw/zinc/45/06/50/564450650.db2.gz AXUXJXPMKBFOQN-IINYFYTJSA-N 1 0 381.229 2.868 20 0 GFADRO COC(=O)c1sc(NC(=O)[C@](C)([NH3+])c2ccc(Br)cc2)nc1C ZINC000514601397 564450873 /nfs/dbraw/zinc/45/08/73/564450873.db2.gz KFHOSTPNWFNEAY-OAHLLOKOSA-N 1 0 398.282 2.813 20 0 GFADRO CC[C@H](CNS(C)(=O)=O)[NH2+][C@H](c1ccc(Br)cc1F)C1CC1 ZINC000453296435 564453099 /nfs/dbraw/zinc/45/30/99/564453099.db2.gz YPOVXFSTASTIAS-DOMZBBRYSA-N 1 0 393.322 2.957 20 0 GFADRO CO[C@@H]1COCC[C@H]1C[NH2+][C@H](C)c1ccccc1I ZINC000453297873 564453152 /nfs/dbraw/zinc/45/31/52/564453152.db2.gz SICIZONWBWFUCS-TYNCELHUSA-N 1 0 375.250 2.993 20 0 GFADRO C[C@@H]1[NH2+]CC[C@@H]1C(=O)N(C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000569216756 564453606 /nfs/dbraw/zinc/45/36/06/564453606.db2.gz VUOXRIDFRGTGAK-ONGXEEELSA-N 1 0 377.794 2.754 20 0 GFADRO O=C1CN(CCC[NH2+]Cc2ccc(-c3ccc(Br)cc3)o2)CCN1 ZINC000514679710 564453946 /nfs/dbraw/zinc/45/39/46/564453946.db2.gz QEOFENDHFIGNQZ-UHFFFAOYSA-N 1 0 392.297 2.621 20 0 GFADRO C[C@@H](Cc1cnccn1)[NH2+]C[C@@H](CO)Cc1cc(Br)ccc1F ZINC000453340371 564453983 /nfs/dbraw/zinc/45/39/83/564453983.db2.gz BQWQPEXXRYOZMG-STQMWFEESA-N 1 0 382.277 2.750 20 0 GFADRO Cc1cc(OCC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)ccc1Br ZINC000479931790 564455029 /nfs/dbraw/zinc/45/50/29/564455029.db2.gz MQSDXKHWWVEPEP-MRXNPFEDSA-N 1 0 399.329 2.609 20 0 GFADRO Cn1cc(I)c(C[NH2+][C@@H]2CCC[C@@H](c3ccnn3C)C2)n1 ZINC000453388014 564455825 /nfs/dbraw/zinc/45/58/25/564455825.db2.gz WKVACCUUIZKTEH-VXGBXAGGSA-N 1 0 399.280 2.574 20 0 GFADRO COc1ccc(Br)cc1C[C@@H](CO)C[NH2+][C@H]1CCn2ccnc21 ZINC000453392952 564456461 /nfs/dbraw/zinc/45/64/61/564456461.db2.gz ZCYPLMUAXDXCSY-DOMZBBRYSA-N 1 0 380.286 2.540 20 0 GFADRO CC[C@H]([NH2+][C@@H]1CCCOc2ccc(I)cc21)C(=O)NC ZINC000453399459 564457109 /nfs/dbraw/zinc/45/71/09/564457109.db2.gz KBBHXBIVHUUFAL-QWHCGFSZSA-N 1 0 388.249 2.619 20 0 GFADRO O=C(NCCc1cc(Br)ccc1F)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000514783876 564457505 /nfs/dbraw/zinc/45/75/05/564457505.db2.gz LYIVOGZERYBNHK-GZBFAFLISA-N 1 0 384.293 2.818 20 0 GFADRO Cc1cc(Br)ccc1C(=O)N1CCC([NH2+][C@@H]2CCC[C@H]2O)CC1 ZINC000453403581 564457664 /nfs/dbraw/zinc/45/76/64/564457664.db2.gz GYPYWBAVFFAEQW-IAGOWNOFSA-N 1 0 381.314 2.865 20 0 GFADRO CCN1CCC([NH+]2CCC(C(=O)NCCSCC(F)(F)F)CC2)CC1 ZINC000514796898 564458165 /nfs/dbraw/zinc/45/81/65/564458165.db2.gz NZWHLPKMFMHLHY-UHFFFAOYSA-N 1 0 381.508 2.594 20 0 GFADRO O=S1(=O)CC[C@H]([NH2+]CCc2cscn2)c2cc(Br)ccc21 ZINC000480150354 564461565 /nfs/dbraw/zinc/46/15/65/564461565.db2.gz QZLKOTPYMGBWRR-ZDUSSCGKSA-N 1 0 387.324 2.956 20 0 GFADRO Cc1cc(S(=O)(=O)NCC[NH2+][C@@H]2CCC[C@@H]([C@H]3CCOC3)C2)c(C)s1 ZINC000546654459 564463672 /nfs/dbraw/zinc/46/36/72/564463672.db2.gz PJCKZJKIBZSUAE-IXDOHACOSA-N 1 0 386.583 2.828 20 0 GFADRO C[C@H]([NH2+]C[C@@H]1CC(=O)N(C2CC2)C1)c1ccccc1I ZINC000569462992 564464464 /nfs/dbraw/zinc/46/44/64/564464464.db2.gz CIGKWBYOIRRRFV-RYUDHWBXSA-N 1 0 384.261 2.953 20 0 GFADRO Cc1c(Cl)c(C(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)nn1C ZINC000515053051 564466548 /nfs/dbraw/zinc/46/65/48/564466548.db2.gz ICYBZWBLKVLPFV-UHFFFAOYSA-N 1 0 378.826 2.917 20 0 GFADRO O=S1(=O)CC[C@H]([NH2+]C[C@@H]2CCN(C3CC3)C2)c2cc(Br)ccc21 ZINC000480272019 564466760 /nfs/dbraw/zinc/46/67/60/564466760.db2.gz BJJWYJDAOCFPLD-LRDDRELGSA-N 1 0 399.354 2.742 20 0 GFADRO O=S(=O)(NC1CC[NH+](CC2CCCC2)CC1)c1ccc(Br)o1 ZINC000546778657 564467419 /nfs/dbraw/zinc/46/74/19/564467419.db2.gz NDGFVBOYVOVPOE-UHFFFAOYSA-N 1 0 391.331 2.975 20 0 GFADRO O=S1(=O)CC[C@H](NCCC[NH+]2CCCC2)c2cc(Br)ccc21 ZINC000480328007 564468598 /nfs/dbraw/zinc/46/85/98/564468598.db2.gz NHVANYAAGKASPF-HNNXBMFYSA-N 1 0 387.343 2.743 20 0 GFADRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)Nc1ccc(-c2ccc(Br)s2)nn1 ZINC000569556706 564468950 /nfs/dbraw/zinc/46/89/50/564468950.db2.gz VWDCFAXJKNLWOB-VHSXEESVSA-N 1 0 396.314 3.169 20 0 GFADRO C[NH2+]C1CCN(C(=O)[C@@H](c2ccc(Br)cc2)N2CCCC2)CC1 ZINC000569572994 564469927 /nfs/dbraw/zinc/46/99/27/564469927.db2.gz JFNSJJUMNIWTLN-QGZVFWFLSA-N 1 0 380.330 2.796 20 0 GFADRO [NH3+][C@H]1CCC[C@H](CNC(=O)C2CCN(C(=O)c3ccc(Cl)s3)CC2)C1 ZINC000569595071 564470200 /nfs/dbraw/zinc/47/02/00/564470200.db2.gz IXJLUEOSANVTBK-JSGCOSHPSA-N 1 0 383.945 2.887 20 0 GFADRO COc1ccc(NC(=O)N2C[C@@H]([NH+](C)C)[C@@H](SC)C2)cc1Br ZINC000546840264 564470374 /nfs/dbraw/zinc/47/03/74/564470374.db2.gz JOWJBOMGJINUSM-OCCSQVGLSA-N 1 0 388.331 2.967 20 0 GFADRO Brc1csc(-c2noc(CN3CC[C@H](c4nnc[nH]4)C3)n2)c1 ZINC000569597403 564470376 /nfs/dbraw/zinc/47/03/76/564470376.db2.gz YKYJDUUWZRPMMF-QMMMGPOBSA-N 1 0 381.259 2.668 20 0 GFADRO C[C@@H]([NH3+])[C@H](C)NS(=O)(=O)c1ccc(Br)c(Cl)c1Cl ZINC000515176578 564471481 /nfs/dbraw/zinc/47/14/81/564471481.db2.gz WHRWERSMLCRWIA-RITPCOANSA-N 1 0 376.103 2.770 20 0 GFADRO CC(C)(C)NC(=O)C[NH+]1CCC(CNc2cc(Br)ccn2)CC1 ZINC000480416965 564471748 /nfs/dbraw/zinc/47/17/48/564471748.db2.gz VUNBNZFKSAGBNU-UHFFFAOYSA-N 1 0 383.334 2.883 20 0 GFADRO COCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](Cc2ccc(OC)cc2Br)C1 ZINC000569648939 564472682 /nfs/dbraw/zinc/47/26/82/564472682.db2.gz GEQIYGWHVHRMDO-HIFRSBDPSA-N 1 0 399.329 2.821 20 0 GFADRO O=C(NC[C@]1(O)C[NH+]2CCC1CC2)c1ccc2cc(Br)ccc2c1 ZINC000515387951 564477530 /nfs/dbraw/zinc/47/75/30/564477530.db2.gz MYWDXBMMNJBIDL-IBGZPJMESA-N 1 0 389.293 2.789 20 0 GFADRO CN(C)CC[N@H+](C)CCCN(C)C(=O)C1(c2ccccc2Br)CC1 ZINC000569886562 564482256 /nfs/dbraw/zinc/48/22/56/564482256.db2.gz YCQORNFIKYBFBU-UHFFFAOYSA-N 1 0 396.373 2.823 20 0 GFADRO C[C@@H](NC(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1)c1cc(F)c(Cl)cc1Cl ZINC000569945767 564484748 /nfs/dbraw/zinc/48/47/48/564484748.db2.gz YSUHYFWWUBDPRL-MNOVXSKESA-N 1 0 390.286 2.862 20 0 GFADRO CC[NH+](CC)CCS(=O)(=O)N[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000569954280 564485805 /nfs/dbraw/zinc/48/58/05/564485805.db2.gz STJIADFZDIHJOS-LSDHHAIUSA-N 1 0 375.332 2.566 20 0 GFADRO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000570035327 564488753 /nfs/dbraw/zinc/48/87/53/564488753.db2.gz QJYRPZOIOABWBG-ZENOOKHLSA-N 1 0 394.313 2.543 20 0 GFADRO O=C(NCC1([NH+]2CCSCC2)CCCCC1)N[C@@H](CO)c1ccsc1 ZINC000547450630 564489198 /nfs/dbraw/zinc/48/91/98/564489198.db2.gz BEUKKIPFCAXQIO-INIZCTEOSA-N 1 0 383.583 2.832 20 0 GFADRO COC[C@@H]([NH2+][C@@H]1CCS(=O)(=O)c2ccc(Br)cc21)C(C)C ZINC000547503764 564491734 /nfs/dbraw/zinc/49/17/34/564491734.db2.gz PJPPBZHWOOAHJR-ZIAGYGMSSA-N 1 0 376.316 2.928 20 0 GFADRO CS[C@@H]1CN(S(=O)(=O)Cc2ccc(Cl)c(F)c2)C[C@H]1[NH+]1CCCC1 ZINC000480915715 564495778 /nfs/dbraw/zinc/49/57/78/564495778.db2.gz ZYDIVIGPRXZGCG-HZPDHXFCSA-N 1 0 392.949 2.821 20 0 GFADRO C[C@H](CNS(=O)(=O)Cc1ccc(Br)cc1)[NH+]1CCC(C)CC1 ZINC000480955378 564497613 /nfs/dbraw/zinc/49/76/13/564497613.db2.gz NLANIZIHDHTGFO-CQSZACIVSA-N 1 0 389.359 2.989 20 0 GFADRO CCC[N@H+](CC)C[C@@H](C)NC(=O)NCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000570324217 564500721 /nfs/dbraw/zinc/50/07/21/564500721.db2.gz XCUKYMAYLQUMCS-CQSZACIVSA-N 1 0 389.949 2.533 20 0 GFADRO COC[C@@]1(C(=O)Nc2ccc(Sc3nnc(C)s3)cc2C)CC[NH2+]C1 ZINC000570321465 564501087 /nfs/dbraw/zinc/50/10/87/564501087.db2.gz GQRBGUHRKSPOCD-QGZVFWFLSA-N 1 0 378.523 2.871 20 0 GFADRO COc1cc(S(=O)(=O)Nc2cc[nH+]c(N(C)C)c2)ccc1Br ZINC000481051493 564501304 /nfs/dbraw/zinc/50/13/04/564501304.db2.gz XOVUARSGQLTRDB-UHFFFAOYSA-N 1 0 386.271 2.720 20 0 GFADRO C[NH+](C)[C@]1(CNC(=O)C2(c3cccc(Cl)c3)CCOCC2)CCSC1 ZINC000481216810 564505683 /nfs/dbraw/zinc/50/56/83/564505683.db2.gz ATIMVSMQVRQLQF-SFHVURJKSA-N 1 0 382.957 2.942 20 0 GFADRO CN1CCN(c2cc[nH+]cc2NC(=O)c2csc(Br)c2)CC1 ZINC000516624365 564508353 /nfs/dbraw/zinc/50/83/53/564508353.db2.gz QAIKDWCBHLXBBM-UHFFFAOYSA-N 1 0 381.299 2.910 20 0 GFADRO CSc1cccc(S(=O)(=O)N(Cc2scnc2C)C[C@@H]2CC[NH2+]C2)c1 ZINC000570502154 564509319 /nfs/dbraw/zinc/50/93/19/564509319.db2.gz AUDKLVWJPFZJIU-CQSZACIVSA-N 1 0 397.591 2.974 20 0 GFADRO COc1cc(Cl)c(S(=O)(=O)NC[C@@]2([NH+](C)C)CCSC2)cc1Cl ZINC000481336479 564509768 /nfs/dbraw/zinc/50/97/68/564509768.db2.gz ISUJPJKWIUZXFY-AWEZNQCLSA-N 1 0 399.365 2.718 20 0 GFADRO CN(C)CC[N@H+](C)CCCN(C)C(=O)c1c[nH]c2cccc(Br)c12 ZINC000516693276 564510039 /nfs/dbraw/zinc/51/00/39/564510039.db2.gz OHZOMCCQNAPCBQ-UHFFFAOYSA-N 1 0 395.345 2.886 20 0 GFADRO C[C@H]1C[C@@H](C(=O)NCc2ccc(I)c(Cl)c2)CC[NH2+]1 ZINC000570513458 564510220 /nfs/dbraw/zinc/51/02/20/564510220.db2.gz YTUSVCRVVAQTJN-ONGXEEELSA-N 1 0 392.668 2.949 20 0 GFADRO C[NH+](C)[C@]1(CNS(=O)(=O)Cc2ccc(Cl)c(Cl)c2)CCSC1 ZINC000481333489 564510292 /nfs/dbraw/zinc/51/02/92/564510292.db2.gz BRIRUBKVXOEVQG-AWEZNQCLSA-N 1 0 383.366 2.850 20 0 GFADRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(=O)n3cc(Br)ccc3n2)C12CCC2 ZINC000516714576 564510991 /nfs/dbraw/zinc/51/09/91/564510991.db2.gz JXRJBHALCCHEGE-HUUCEWRRSA-N 1 0 392.297 2.894 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N2CCC3(CC[NH2+]C3)CC2)c(Br)c1 ZINC000570544429 564511584 /nfs/dbraw/zinc/51/15/84/564511584.db2.gz ACTDDZAPCSRHNL-UHFFFAOYSA-N 1 0 394.313 2.607 20 0 GFADRO OC[C@H]([NH2+]CCOc1ccc(Cl)cc1Br)C1CCOCC1 ZINC000570595837 564513899 /nfs/dbraw/zinc/51/38/99/564513899.db2.gz WRZVPWYXUMLFJJ-AWEZNQCLSA-N 1 0 378.694 2.858 20 0 GFADRO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(Cc2cc3c(c(Br)c2)OCO3)CC1 ZINC000570692429 564517066 /nfs/dbraw/zinc/51/70/66/564517066.db2.gz GMKVIMGPGZAMHC-NVXWUHKLSA-N 1 0 397.313 2.896 20 0 GFADRO C[C@H](NC(=O)NCC[NH2+]C1CCCCCC1)c1ncc(Br)cn1 ZINC000570697575 564518069 /nfs/dbraw/zinc/51/80/69/564518069.db2.gz YVERYFGOWFEDIQ-LBPRGKRZSA-N 1 0 384.322 2.912 20 0 GFADRO CC[C@@H]([NH2+]CCC(=O)NC(C)(C)C)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000481673861 564518922 /nfs/dbraw/zinc/51/89/22/564518922.db2.gz DLGUFJRTPXSPIT-CQSZACIVSA-N 1 0 389.949 2.594 20 0 GFADRO COc1cc(I)c(Cl)cc1C[NH2+][C@@H]1CN(C)C[C@H]1C ZINC000481734372 564521192 /nfs/dbraw/zinc/52/11/92/564521192.db2.gz WFZPKCZBTQEQET-NOZJJQNGSA-N 1 0 394.684 2.993 20 0 GFADRO CC[NH+](CC)C[C@@H]1CCN(S(=O)(=O)c2cccc(Br)c2F)C1 ZINC000570807300 564522545 /nfs/dbraw/zinc/52/25/45/564522545.db2.gz QLDWWAIJBNJQAW-LBPRGKRZSA-N 1 0 393.322 2.941 20 0 GFADRO CC[N@H+](C)C[C@H](O)CN1CCC[C@@H]1c1ccc(I)cc1 ZINC000570825019 564523630 /nfs/dbraw/zinc/52/36/30/564523630.db2.gz VDUQUVBASQJTGF-JKSUJKDBSA-N 1 0 388.293 2.741 20 0 GFADRO COC[C@]1(CNC(=O)[C@@H]2C[C@@]23CCc2cc(Br)ccc23)CCC[NH2+]1 ZINC000517125969 564524926 /nfs/dbraw/zinc/52/49/26/564524926.db2.gz BROWXBHZLOWKEW-QXAKKESOSA-N 1 0 393.325 2.538 20 0 GFADRO CC[C@@H](Cc1ccccc1Br)[N@H+](C)CCCS(=O)(=O)N(C)C ZINC000481840557 564525374 /nfs/dbraw/zinc/52/53/74/564525374.db2.gz VXXBRULBXQGJTB-HNNXBMFYSA-N 1 0 391.375 2.984 20 0 GFADRO C[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000517230011 564527811 /nfs/dbraw/zinc/52/78/11/564527811.db2.gz LUHSDTFXNKHQCQ-SMDDNHRTSA-N 1 0 382.295 2.870 20 0 GFADRO Cc1nn(-c2cc[nH+]cc2)cc1CN(C)CCn1cc(Br)cn1 ZINC000517263763 564530225 /nfs/dbraw/zinc/53/02/25/564530225.db2.gz XQPMGIWUGVVMGA-UHFFFAOYSA-N 1 0 375.274 2.667 20 0 GFADRO Cc1cc(Br)cc2c1CN(C(=O)NCC[N@@H+]1CCCOCC1)CC2 ZINC000455003461 564531685 /nfs/dbraw/zinc/53/16/85/564531685.db2.gz QQGWSPZNEKGNLK-UHFFFAOYSA-N 1 0 396.329 2.548 20 0 GFADRO O=C(N[C@H](c1cc(F)cc(Br)c1)C1CC1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000482039851 564532678 /nfs/dbraw/zinc/53/26/78/564532678.db2.gz IYZQTFSCFYETON-SJORKVTESA-N 1 0 396.304 2.545 20 0 GFADRO CCOC[C@@H](C)CS(=O)(=O)NC[C@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000571093932 564535274 /nfs/dbraw/zinc/53/52/74/564535274.db2.gz HIJYGXRMGAREOW-GDBMZVCRSA-N 1 0 376.950 2.577 20 0 GFADRO O=C(Cc1c[nH]c2cc(Br)ccc12)NCC[NH+]1CCSCC1 ZINC000482153712 564535685 /nfs/dbraw/zinc/53/56/85/564535685.db2.gz DQZMHSAXFKRBPF-UHFFFAOYSA-N 1 0 382.327 2.638 20 0 GFADRO C[C@H](C(=O)NCC(=O)Nc1cccc(Br)c1)[NH+]1[C@H](C)CC[C@H]1C ZINC000482165335 564536321 /nfs/dbraw/zinc/53/63/21/564536321.db2.gz CRXIELMOALTZOQ-JHJVBQTASA-N 1 0 382.302 2.765 20 0 GFADRO CSc1ncc(Cl)c(C(=O)Nc2cccc(C[N@@H+]3CC[C@H](O)C3)c2)n1 ZINC000571116224 564536517 /nfs/dbraw/zinc/53/65/17/564536517.db2.gz VTKDUZTXDNSQQO-ZDUSSCGKSA-N 1 0 378.885 2.671 20 0 GFADRO Cc1cc(Br)c(F)cc1NC(=O)NC[C@H]1CCC[N@@H+]1CCCO ZINC000455169441 564540918 /nfs/dbraw/zinc/54/09/18/564540918.db2.gz MEWBSRACYGGPQE-GFCCVEGCSA-N 1 0 388.281 2.865 20 0 GFADRO Cc1nc(-c2cc([C@H](C)[NH2+]CCC(=O)N3CCN(C)CC3)cs2)cs1 ZINC000482432262 564542642 /nfs/dbraw/zinc/54/26/42/564542642.db2.gz AEWOOPXZUGKNQN-ZDUSSCGKSA-N 1 0 378.567 2.995 20 0 GFADRO O=C(NC[C@H]1CCC[N@H+]1CCCO)Nc1c(F)cc(F)cc1Br ZINC000455218397 564543242 /nfs/dbraw/zinc/54/32/42/564543242.db2.gz KNRXAQWXLFHAOY-LLVKDONJSA-N 1 0 392.244 2.696 20 0 GFADRO Cc1nc(CNC(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)sc1Br ZINC000455225925 564544101 /nfs/dbraw/zinc/54/41/01/564544101.db2.gz GQGUEPJBEUHOIA-GFCCVEGCSA-N 1 0 387.347 2.984 20 0 GFADRO COCC1([NH2+][C@@H](C)CC(=O)Nc2ccc(Br)cc2)CCOCC1 ZINC000517978302 564544169 /nfs/dbraw/zinc/54/41/69/564544169.db2.gz YCMRXEKTVOHTSE-ZDUSSCGKSA-N 1 0 385.302 2.951 20 0 GFADRO C[C@@H](CNC(=O)[C@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1)[NH+]1CCCC1 ZINC000518037716 564544942 /nfs/dbraw/zinc/54/49/42/564544942.db2.gz KKBGAPQPBXGHDS-STQMWFEESA-N 1 0 384.307 2.947 20 0 GFADRO Cc1cc(F)c(Br)cc1NC(=O)NC[C@@H]1CCC[N@@H+]1CCCO ZINC000455245852 564545049 /nfs/dbraw/zinc/54/50/49/564545049.db2.gz NWCBGSPJAXCGNR-LBPRGKRZSA-N 1 0 388.281 2.865 20 0 GFADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)NCc3c(Cl)cccc3Cl)C2)CC1 ZINC000518023610 564545127 /nfs/dbraw/zinc/54/51/27/564545127.db2.gz YRRGUXKHACVDHK-CQSZACIVSA-N 1 0 385.339 2.915 20 0 GFADRO CC[C@@H](CNC(=O)Cn1cc(Br)cn1)[N@@H+]1CCc2ccccc2C1 ZINC000518025192 564545236 /nfs/dbraw/zinc/54/52/36/564545236.db2.gz LNKJURHSKPCDBL-KRWDZBQOSA-N 1 0 391.313 2.599 20 0 GFADRO COc1ccc(NC(=O)NC(C)(C)C[NH+](C)C)c(I)c1 ZINC000455281472 564546851 /nfs/dbraw/zinc/54/68/51/564546851.db2.gz UDVRBKHGDMFTTG-UHFFFAOYSA-N 1 0 391.253 2.762 20 0 GFADRO CC[C@@](C)([NH2+]CCOc1c(Br)cccc1Br)C(N)=O ZINC000482807852 564551053 /nfs/dbraw/zinc/55/10/53/564551053.db2.gz BCEAZSHWTQCDRC-CYBMUJFWSA-N 1 0 394.107 2.834 20 0 GFADRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)CCC[S@](=O)c1ccc(Br)cc1 ZINC000571439285 564551855 /nfs/dbraw/zinc/55/18/55/564551855.db2.gz BFTSEGXBEUEJMV-VJBOLBCHSA-N 1 0 387.343 2.533 20 0 GFADRO C[C@H]([NH2+]CCC(=O)NCC(=O)c1ccccc1)c1ccc(Br)cn1 ZINC000482954141 564553356 /nfs/dbraw/zinc/55/33/56/564553356.db2.gz DJAXRAYBZFLXBE-ZDUSSCGKSA-N 1 0 390.281 2.884 20 0 GFADRO O=S1(=O)CC[C@@H]([NH2+][C@@H]2CCc3n[nH]cc3C2)c2cc(Br)ccc21 ZINC000548483626 564553866 /nfs/dbraw/zinc/55/38/66/564553866.db2.gz ZLAJNGPWMOLFDJ-IUODEOHRSA-N 1 0 396.310 2.538 20 0 GFADRO C[C@@]1(C[C@@H]2CCC[N@@H+]2Cc2csc(-c3ccsc3)n2)NC(=O)NC1=O ZINC000571567475 564557011 /nfs/dbraw/zinc/55/70/11/564557011.db2.gz MSDDOGCUPGTWKI-GUYCJALGSA-N 1 0 376.507 2.824 20 0 GFADRO C[C@H]([NH3+])[C@H](C)NC(=O)Cc1ccc(NC(=O)c2ccc(Br)o2)cc1 ZINC000571561455 564557251 /nfs/dbraw/zinc/55/72/51/564557251.db2.gz YPQIRRGWWGCBHN-QWRGUYRKSA-N 1 0 394.269 2.689 20 0 GFADRO CC(C)[N@H+](C)CCCNC(=O)[C@H]1CCN(c2ccccc2Br)C1=O ZINC000518749942 564561845 /nfs/dbraw/zinc/56/18/45/564561845.db2.gz PRBKSSQAQHSVDW-CQSZACIVSA-N 1 0 396.329 2.649 20 0 GFADRO COc1ccc(Br)c(C(=O)NCCC[NH2+][C@@H](C)[C@@H]2CCCO2)c1 ZINC000518834247 564563440 /nfs/dbraw/zinc/56/34/40/564563440.db2.gz WDVUKGUVFXZITI-LRDDRELGSA-N 1 0 385.302 2.735 20 0 GFADRO C[N@H+](CCNS(=O)(=O)c1ccc(OC(F)F)c(F)c1)C1CCCCC1 ZINC000571747077 564564472 /nfs/dbraw/zinc/56/44/72/564564472.db2.gz WUXOCKQYUBERMS-UHFFFAOYSA-N 1 0 380.432 2.970 20 0 GFADRO C[C@H]1CN(C(=O)Nc2nc(CC(F)(F)F)cs2)CC[N@@H+]1CC(C)(C)O ZINC000455685460 564564993 /nfs/dbraw/zinc/56/49/93/564564993.db2.gz MXSUHODESHIXDV-JTQLQIEISA-N 1 0 380.436 2.557 20 0 GFADRO Cc1cc(Br)cc(NC(=O)NCCCC[NH+]2CCN(C)CC2)c1 ZINC000548602929 564566494 /nfs/dbraw/zinc/56/64/94/564566494.db2.gz REQVCDDLUSSJHD-UHFFFAOYSA-N 1 0 383.334 2.907 20 0 GFADRO COC(=O)[C@@]1(C)CCN(Cc2c(Br)cncc2Br)C1 ZINC000571815527 564568460 /nfs/dbraw/zinc/56/84/60/564568460.db2.gz NEMHOZIELSIAPC-ZDUSSCGKSA-N 1 0 392.091 2.992 20 0 GFADRO COCC[NH2+]C1CCN(S(=O)(=O)c2c(Cl)ccc(C)c2Cl)CC1 ZINC000519165843 564571113 /nfs/dbraw/zinc/57/11/13/564571113.db2.gz GFDGDVPGUYBDNG-UHFFFAOYSA-N 1 0 381.325 2.691 20 0 GFADRO Cn1cncc1CC(=O)Nc1cc(Br)cc(C(=O)N2CCCC2)c1 ZINC000548730590 564571784 /nfs/dbraw/zinc/57/17/84/564571784.db2.gz POIULTWVFHINCN-UHFFFAOYSA-N 1 0 391.269 2.600 20 0 GFADRO O=C(CC[NH2+][C@@H](CCO)c1ccccc1Br)Nc1cccnc1 ZINC000483724815 564574018 /nfs/dbraw/zinc/57/40/18/564574018.db2.gz MCXZMGCNWPSWAV-INIZCTEOSA-N 1 0 378.270 2.886 20 0 GFADRO Cc1nc2cc(Cl)c(NC(=O)C(=O)NC[C@@H](C)[N@H+](C)C3CC3)cc2s1 ZINC000483878759 564576483 /nfs/dbraw/zinc/57/64/83/564576483.db2.gz LBDVXZUNPHPGFL-SECBINFHSA-N 1 0 380.901 2.796 20 0 GFADRO O=C(NCc1nc2c(cccc2Br)[nH]1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000572015855 564577112 /nfs/dbraw/zinc/57/71/12/564577112.db2.gz JTNPVQCSVWZTSU-KRWDZBQOSA-N 1 0 392.301 2.611 20 0 GFADRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1S(=O)(=O)c1ccc(OC(F)(F)F)cc1 ZINC000572027034 564577880 /nfs/dbraw/zinc/57/78/80/564577880.db2.gz ONGSZUVFGVBTDN-IUODEOHRSA-N 1 0 378.416 2.833 20 0 GFADRO O=C(NCCc1ccc(F)c(Br)c1)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000572026866 564577965 /nfs/dbraw/zinc/57/79/65/564577965.db2.gz HNXKPFABZBABTP-AWEZNQCLSA-N 1 0 395.276 2.682 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1cc2sc(C)nc2cc1Cl ZINC000483929775 564578055 /nfs/dbraw/zinc/57/80/55/564578055.db2.gz ONEKQGHSUVAQRB-LLVKDONJSA-N 1 0 380.901 2.797 20 0 GFADRO CC[N@H+](CCNC(=O)C(=O)Nc1c(F)ccc(C)c1Br)C(C)C ZINC000483935440 564578073 /nfs/dbraw/zinc/57/80/73/564578073.db2.gz UBDLNONYDDYSEB-UHFFFAOYSA-N 1 0 388.281 2.682 20 0 GFADRO O=C(CN1CCc2cc(Br)ccc2C1)NC1CC[NH+](C2CC2)CC1 ZINC000483982576 564580266 /nfs/dbraw/zinc/58/02/66/564580266.db2.gz QAFKCBLXQHWLSI-UHFFFAOYSA-N 1 0 392.341 2.550 20 0 GFADRO CC(C)OC[C@H](O)C[NH2+][C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000519543086 564580840 /nfs/dbraw/zinc/58/08/40/564580840.db2.gz SJANOJYMMCEJAQ-QWHCGFSZSA-N 1 0 381.826 2.708 20 0 GFADRO C[C@@H]1[C@H](C)N(Cc2nc(Cc3cccc(Br)c3)no2)CC[N@H+]1C ZINC000519557193 564580973 /nfs/dbraw/zinc/58/09/73/564580973.db2.gz JOLSAVKWPVHOLM-OLZOCXBDSA-N 1 0 379.302 2.947 20 0 GFADRO CC(C)C[C@H]([NH3+])c1noc(CN2C(=O)c3ccc(Br)cc3C2=O)n1 ZINC000572120627 564581808 /nfs/dbraw/zinc/58/18/08/564581808.db2.gz YZOXYDUTCCBJJN-LBPRGKRZSA-N 1 0 393.241 2.674 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCN(C(=O)[C@H]2CCCN2C(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000484087295 564581798 /nfs/dbraw/zinc/58/17/98/564581798.db2.gz HOFUXXCNAGDBRP-DETPVDSQSA-N 1 0 384.307 2.794 20 0 GFADRO COc1cc(Cl)c(S(=O)(=O)N2CC3CCC2(C[NH3+])CC3)cc1Cl ZINC000519608403 564583261 /nfs/dbraw/zinc/58/32/61/564583261.db2.gz IMSPJHSGUBWUDQ-UHFFFAOYSA-N 1 0 379.309 2.894 20 0 GFADRO [NH3+]C1(C(=O)Nc2cc(Cl)c(NC(=O)c3cnccn3)c(Cl)c2)CCC1 ZINC000519601853 564583591 /nfs/dbraw/zinc/58/35/91/564583591.db2.gz UWDVZVBCGWTSLR-UHFFFAOYSA-N 1 0 380.235 2.856 20 0 GFADRO CCC[C@H](C)[C@@H](CO)[NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000519647084 564585507 /nfs/dbraw/zinc/58/55/07/564585507.db2.gz IEXKTPGXJFJLDQ-SGIREYDYSA-N 1 0 378.282 2.715 20 0 GFADRO CC(C)[N@H+](CCOCCO)CC(=O)N[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000549077060 564585627 /nfs/dbraw/zinc/58/56/27/564585627.db2.gz ABCBEEQRLKHTGS-ZDUSSCGKSA-N 1 0 377.312 2.890 20 0 GFADRO CC[N@@H+]1CC[C@H]2OCCN(c3ncc(Br)c(OC(C)(C)C)n3)[C@H]2C1 ZINC000549197948 564587724 /nfs/dbraw/zinc/58/77/24/564587724.db2.gz SSCYZTSLONTBTA-UONOGXRCSA-N 1 0 399.333 2.716 20 0 GFADRO C[C@@H](Cc1ccc(F)c(Br)c1)C(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000519718512 564587960 /nfs/dbraw/zinc/58/79/60/564587960.db2.gz ZPPKSEPWDCMNNM-TVQRCGJNSA-N 1 0 379.220 2.880 20 0 GFADRO CCC[N@H+](C)C[C@H]1CCN(Cc2ncc(I)s2)C1 ZINC000572323962 564589416 /nfs/dbraw/zinc/58/94/16/564589416.db2.gz BQXWIVMMAQGMDN-LLVKDONJSA-N 1 0 379.311 2.911 20 0 GFADRO O=C(NCc1cc(Cl)ccc1Br)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000572361609 564591604 /nfs/dbraw/zinc/59/16/04/564591604.db2.gz UKRWBLBMCVYYPB-VIFPVBQESA-N 1 0 383.677 2.833 20 0 GFADRO O=C(NCc1cc(Cl)cc(I)c1)[C@H]1CCCC[NH2+]1 ZINC000519820612 564592462 /nfs/dbraw/zinc/59/24/62/564592462.db2.gz OQBORJWHTGBQCW-GFCCVEGCSA-N 1 0 378.641 2.703 20 0 GFADRO COCC[N@H+](C)C[C@@H](O)Cn1cc(Br)c(-c2ccc(C)cc2)n1 ZINC000519835005 564592830 /nfs/dbraw/zinc/59/28/30/564592830.db2.gz NOJYGTIPAFRZDR-OAHLLOKOSA-N 1 0 382.302 2.560 20 0 GFADRO COCC[N@H+](C)CCNC(=O)NCc1cnc(-c2ccc(Cl)cc2)s1 ZINC000519840193 564593387 /nfs/dbraw/zinc/59/33/87/564593387.db2.gz NOCUCQLGXFFFBP-UHFFFAOYSA-N 1 0 382.917 2.841 20 0 GFADRO C[C@H](CNC(=O)c1ccc(Cl)c(NS(C)(=O)=O)c1)[N@@H+]1CCCC[C@H]1C ZINC000519936497 564594793 /nfs/dbraw/zinc/59/47/93/564594793.db2.gz QWXGMDLWPTYPON-CHWSQXEVSA-N 1 0 387.933 2.704 20 0 GFADRO CN(Cc1c(F)cccc1Cl)S(=O)(=O)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000572468298 564596231 /nfs/dbraw/zinc/59/62/31/564596231.db2.gz LBRXZCGWDDFDMF-DLBZAZTESA-N 1 0 389.924 2.762 20 0 GFADRO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1Cc1nc(-c2cccc(Br)c2)c[nH]1 ZINC000572466850 564596244 /nfs/dbraw/zinc/59/62/44/564596244.db2.gz NFXSKVNNEOQGJV-UONOGXRCSA-N 1 0 393.329 2.726 20 0 GFADRO CC(=O)N[C@@H](CC(=O)NCCC[C@@H]1CCC[NH2+]1)c1ccc(Br)cc1 ZINC000572484178 564597176 /nfs/dbraw/zinc/59/71/76/564597176.db2.gz CUFVKJJRBZTMHC-IRXDYDNUSA-N 1 0 396.329 2.665 20 0 GFADRO CC[N@@H+]1CCCC[C@@H]1CNS(=O)(=O)c1ccc(C)cc1Br ZINC000520385518 564602660 /nfs/dbraw/zinc/60/26/60/564602660.db2.gz JVZYAWYKHJUEDF-CYBMUJFWSA-N 1 0 375.332 2.910 20 0 GFADRO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)Nc1ccccc1Br ZINC000572662966 564604706 /nfs/dbraw/zinc/60/47/06/564604706.db2.gz BIFVYZUPDHUDJB-ZDUSSCGKSA-N 1 0 382.302 2.624 20 0 GFADRO CC(C)[N@H+](C)CCCNC(=O)[C@@H]1CSCN1C(=O)c1ccc(Cl)cc1 ZINC000520516791 564606352 /nfs/dbraw/zinc/60/63/52/564606352.db2.gz SZYLTGISOOGINC-INIZCTEOSA-N 1 0 383.945 2.702 20 0 GFADRO CN(CCC[NH3+])S(=O)(=O)c1csc(-c2ccc(Br)cc2)n1 ZINC000572720059 564607402 /nfs/dbraw/zinc/60/74/02/564607402.db2.gz AWHALFALHWRPDQ-UHFFFAOYSA-N 1 0 390.328 2.542 20 0 GFADRO C[N@@H+]1CCC[C@]2(CCN(S(=O)(=O)c3ccc(Br)c(F)c3)C2)C1 ZINC000549903824 564607811 /nfs/dbraw/zinc/60/78/11/564607811.db2.gz PJZPDONSCBZOET-HNNXBMFYSA-N 1 0 391.306 2.695 20 0 GFADRO C[N@@H+]1CC[C@@H](C(=O)NCc2ccc(Cl)cc2I)C1 ZINC000520624792 564609542 /nfs/dbraw/zinc/60/95/42/564609542.db2.gz LQHVXXQYDWYHQL-SNVBAGLBSA-N 1 0 378.641 2.513 20 0 GFADRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)C(=O)Nc1ccc(Br)cc1 ZINC000520789039 564613074 /nfs/dbraw/zinc/61/30/74/564613074.db2.gz MHQPACRAOLCNMO-CHWSQXEVSA-N 1 0 382.302 2.767 20 0 GFADRO O=S(=O)(c1ccc2ccccc2c1Br)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000572841822 564613089 /nfs/dbraw/zinc/61/30/89/564613089.db2.gz FEUDKQSIFGDOPC-UONOGXRCSA-N 1 0 395.322 2.832 20 0 GFADRO CC[N@H+](C)C[C@H]1CCN(C(=O)NCc2cc(OC)ccc2Br)C1 ZINC000485393975 564613889 /nfs/dbraw/zinc/61/38/89/564613889.db2.gz RPDFEWRZKYMBGB-CYBMUJFWSA-N 1 0 384.318 2.941 20 0 GFADRO [NH3+]C[C@@H]1CN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)CC12CCOCC2 ZINC000572879342 564614303 /nfs/dbraw/zinc/61/43/03/564614303.db2.gz ARRCFOZGVDLFRI-CYBMUJFWSA-N 1 0 393.336 2.511 20 0 GFADRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)Nc2cc(N(C)C)c(Br)cn2)C1 ZINC000572955702 564617005 /nfs/dbraw/zinc/61/70/05/564617005.db2.gz NZVRUSKGFQLRKM-LBPRGKRZSA-N 1 0 384.322 2.762 20 0 GFADRO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)[C@@H]1CC(=O)Nc2ccc(Br)cc21 ZINC000485506295 564617764 /nfs/dbraw/zinc/61/77/64/564617764.db2.gz OOHVDYAJAVBVAZ-ZBFHGGJFSA-N 1 0 394.313 2.674 20 0 GFADRO CC[N@@H+]1CC[C@H]2OCCN(CC[S@@](=O)c3cc(Cl)ccc3Cl)[C@H]2C1 ZINC000550226384 564617956 /nfs/dbraw/zinc/61/79/56/564617956.db2.gz LYIHZBRVRCOYAF-VMPBMTGNSA-N 1 0 391.364 2.896 20 0 GFADRO CCC(=O)N1CCCC[C@@H]1C(=O)Nc1cc(N(C)C)c(Br)cn1 ZINC000456570603 564618071 /nfs/dbraw/zinc/61/80/71/564618071.db2.gz IQYMSNJSACVULY-GFCCVEGCSA-N 1 0 383.290 2.640 20 0 GFADRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NCc1ccc(Cl)cc1Cl ZINC000550295296 564618929 /nfs/dbraw/zinc/61/89/29/564618929.db2.gz QIKNFVAKBOXARH-CHWSQXEVSA-N 1 0 386.323 2.846 20 0 GFADRO CC(C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)NCC[N@H+](C)C1CC1 ZINC000485535284 564619505 /nfs/dbraw/zinc/61/95/05/564619505.db2.gz AEGBDXWQNKYFMT-UHFFFAOYSA-N 1 0 386.323 2.941 20 0 GFADRO C[C@H](NC(=O)[C@]1(C)CCC[NH2+]1)c1nc(-c2ccc(Br)cc2)no1 ZINC000573083235 564622488 /nfs/dbraw/zinc/62/24/88/564622488.db2.gz UPWKMQODJDDZKJ-QFYYESIMSA-N 1 0 379.258 2.818 20 0 GFADRO C[C@H]1CSc2ccc(Br)cc2[C@H]1NC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000573092200 564622629 /nfs/dbraw/zinc/62/26/29/564622629.db2.gz HKGLSQHTVDTGAR-BJWJNCAASA-N 1 0 382.327 2.749 20 0 GFADRO O=C(NCc1cc(Cl)ccc1Br)N[C@@H]1C[NH2+]CCC1(F)F ZINC000573117709 564623264 /nfs/dbraw/zinc/62/32/64/564623264.db2.gz KCDIHQOAPIUSKT-LLVKDONJSA-N 1 0 382.636 2.899 20 0 GFADRO O=S1(=O)CCC[C@H](C[NH2+]C2(Cc3ccc(F)cc3Cl)CCOCC2)C1 ZINC000550405581 564623402 /nfs/dbraw/zinc/62/34/02/564623402.db2.gz UYVPTBUFEANNPX-CQSZACIVSA-N 1 0 389.920 2.985 20 0 GFADRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]CC(=O)Nc3ccc(Br)cc3)[C@H]2C1 ZINC000573132865 564624145 /nfs/dbraw/zinc/62/41/45/564624145.db2.gz IJVIESVEVOOLCR-JQFCIGGWSA-N 1 0 394.313 2.624 20 0 GFADRO C[C@H](CNS(=O)(=O)Cc1cccc(Br)c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000550431469 564624196 /nfs/dbraw/zinc/62/41/96/564624196.db2.gz JAJGZEWBTNATDE-ZIAGYGMSSA-N 1 0 389.359 2.989 20 0 GFADRO CC(C)OCCC[N@H+](C)CC(=O)Nc1cccc(I)c1 ZINC000521320866 564624680 /nfs/dbraw/zinc/62/46/80/564624680.db2.gz PHTIKYPRCPVISP-UHFFFAOYSA-N 1 0 390.265 2.977 20 0 GFADRO CC(C)(NC(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1)c1ccc(Br)cc1 ZINC000485774814 564625637 /nfs/dbraw/zinc/62/56/37/564625637.db2.gz KFGWYLISWPIZNV-NSHDSACASA-N 1 0 377.286 2.914 20 0 GFADRO O=C1CCc2cc(OC[C@@H](O)C[NH2+]CCc3ccc(Cl)s3)ccc2N1 ZINC000573199271 564627157 /nfs/dbraw/zinc/62/71/57/564627157.db2.gz RMCZLOCOVWOPIN-ZDUSSCGKSA-N 1 0 380.897 2.858 20 0 GFADRO O=C(CCN1CCO[C@@H](COCC2CC2)C1)Nc1ccccc1Br ZINC000485875667 564629404 /nfs/dbraw/zinc/62/94/04/564629404.db2.gz ZPLLARSPQBTSJM-OAHLLOKOSA-N 1 0 397.313 2.905 20 0 GFADRO Cn1ncc2c1CCC[C@@H]2[NH2+]CCS(=O)(=O)c1cccc(Br)c1 ZINC000573358484 564634799 /nfs/dbraw/zinc/63/47/99/564634799.db2.gz PSIAMHSEQKZJDD-HNNXBMFYSA-N 1 0 398.326 2.624 20 0 GFADRO CN(Cc1c(Cl)cccc1Cl)C(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000551138005 564639363 /nfs/dbraw/zinc/63/93/63/564639363.db2.gz HUPKPSQRBLWJNH-HOTGVXAUSA-N 1 0 384.307 2.695 20 0 GFADRO [NH3+]C[C@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2Br)C1 ZINC000573488301 564640347 /nfs/dbraw/zinc/64/03/47/564640347.db2.gz PTGFHILHCCMBNP-SNVBAGLBSA-N 1 0 381.723 2.603 20 0 GFADRO CC(C)N(C)C[C@@H](C)[NH2+]C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000573480968 564640361 /nfs/dbraw/zinc/64/03/61/564640361.db2.gz YYWWGCOMULVAHJ-DOMZBBRYSA-N 1 0 377.298 2.646 20 0 GFADRO CC(C)(CNC(=O)CCNC(=O)[C@H]1CCC[NH2+]1)c1ccc(Cl)c(Cl)c1 ZINC000521997770 564641366 /nfs/dbraw/zinc/64/13/66/564641366.db2.gz UVEXRDAOGCKEGZ-OAHLLOKOSA-N 1 0 386.323 2.646 20 0 GFADRO CCOC(=O)C1(C[NH2+]Cc2cn(-c3ccccc3Br)nn2)CCC1 ZINC000573532153 564642382 /nfs/dbraw/zinc/64/23/82/564642382.db2.gz ISXVTTASNMCWGK-UHFFFAOYSA-N 1 0 393.285 2.853 20 0 GFADRO CCOc1c(Br)cc(C[N@H+](C)CCC(N)=O)cc1Br ZINC000573527190 564642694 /nfs/dbraw/zinc/64/26/94/564642694.db2.gz YFIDVRXMENQWSF-UHFFFAOYSA-N 1 0 394.107 2.918 20 0 GFADRO Cn1cc(N2CCC[C@H]([NH2+]Cc3cccc(I)c3)C2)cn1 ZINC000573584581 564645326 /nfs/dbraw/zinc/64/53/26/564645326.db2.gz JXAKMECJGKVSNT-HNNXBMFYSA-N 1 0 396.276 2.783 20 0 GFADRO C[N@@H+]1CC[C@H](C(=O)Nc2nnc(-c3cc(Br)ccc3F)s2)C1 ZINC000522138178 564645518 /nfs/dbraw/zinc/64/55/18/564645518.db2.gz KLRZCAUWCNQXGX-QMMMGPOBSA-N 1 0 385.262 2.997 20 0 GFADRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)c2cc(I)ccc2F)C1 ZINC000457097903 564646263 /nfs/dbraw/zinc/64/62/63/564646263.db2.gz SOOCOPFZCQUKHT-LBPRGKRZSA-N 1 0 390.240 2.985 20 0 GFADRO Cc1cc(NC(=O)C(=O)NC[C@H]2CC[N@@H+](C(C)C)C2)cc(C)c1Br ZINC000573633619 564646955 /nfs/dbraw/zinc/64/69/55/564646955.db2.gz MZZJZRRWILRJEW-CQSZACIVSA-N 1 0 396.329 2.851 20 0 GFADRO CCCc1ccc(Cl)c(S(=O)(=O)N2CCN(C[C@@H]3CCOC3)CC2)c1 ZINC000551515126 564652469 /nfs/dbraw/zinc/65/24/69/564652469.db2.gz XILLTKDBAZSPBQ-INIZCTEOSA-N 1 0 386.945 2.635 20 0 GFADRO CC(C)[C@H]1CN(C(=O)NCc2cc(Br)cc3c2OCC3)CC[N@@H+]1C ZINC000486511328 564655156 /nfs/dbraw/zinc/65/51/56/564655156.db2.gz VCGPLFMEVOMXJS-MRXNPFEDSA-N 1 0 396.329 2.866 20 0 GFADRO O=C(NC[C@@H]1C[NH2+]CCO1)N[C@@H](c1ccc(Br)cc1)C1CCC1 ZINC000573820025 564656304 /nfs/dbraw/zinc/65/63/04/564656304.db2.gz TWAOFTJCGPQZBN-JKSUJKDBSA-N 1 0 382.302 2.578 20 0 GFADRO CSc1nc(C)c(CCC(=O)NCC2(SC)CC[NH+](C)CC2)c(C)n1 ZINC000573887534 564658783 /nfs/dbraw/zinc/65/87/83/564658783.db2.gz AIQACSITBWXCCX-UHFFFAOYSA-N 1 0 382.599 2.692 20 0 GFADRO C[C@H](NC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C)c1nc(-c2ccc(Br)cc2)no1 ZINC000486617350 564659160 /nfs/dbraw/zinc/65/91/60/564659160.db2.gz SFFJUGQQTSQTKD-COPLHBTASA-N 1 0 393.285 2.874 20 0 GFADRO CN(CC[NH2+]Cc1cn(-c2ccccc2Br)nn1)CC(F)(F)F ZINC000573964970 564662947 /nfs/dbraw/zinc/66/29/47/564662947.db2.gz DLEJLXVBZDAPSO-UHFFFAOYSA-N 1 0 392.223 2.614 20 0 GFADRO C[C@H]1C[C@H](NC(=O)c2ccn(-c3ccc(Br)cc3)n2)C[N@@H+]1C1CC1 ZINC000551775581 564663375 /nfs/dbraw/zinc/66/33/75/564663375.db2.gz JUCAIWDOFNWPEX-JSGCOSHPSA-N 1 0 389.297 2.990 20 0 GFADRO O=S1(=O)CCC(O)(C[NH2+][C@H]2CCCc3c(Cl)sc(Cl)c32)CC1 ZINC000551814912 564664300 /nfs/dbraw/zinc/66/43/00/564664300.db2.gz WTKOHBNUPAMABL-JTQLQIEISA-N 1 0 384.350 2.962 20 0 GFADRO C[C@@H](NCc1cccnc1N1CC[NH+](C)CC1)c1ccc(Br)cn1 ZINC000574101670 564668628 /nfs/dbraw/zinc/66/86/28/564668628.db2.gz JCJBJSNVXSDYQY-CQSZACIVSA-N 1 0 390.329 2.842 20 0 GFADRO CN(C)S(=O)(=O)N1CCC[C@@H]([NH2+][C@@H]2CCc3c2cc(Cl)cc3Cl)C1 ZINC000574109236 564669050 /nfs/dbraw/zinc/66/90/50/564669050.db2.gz AMKFNPFMDSYIMU-MLGOLLRUSA-N 1 0 392.352 2.841 20 0 GFADRO CC(C)[N@H+](C)C[C@H](C)NC(=O)C(=O)Nc1ccc(Cl)cc1Br ZINC000574145799 564669966 /nfs/dbraw/zinc/66/99/66/564669966.db2.gz KBPHRIVEKUGEEH-JTQLQIEISA-N 1 0 390.709 2.886 20 0 GFADRO COCC[C@H](C)NC(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000523642630 564670374 /nfs/dbraw/zinc/67/03/74/564670374.db2.gz WAPRCVFFFVMQLP-AWEZNQCLSA-N 1 0 386.334 2.947 20 0 GFADRO O=C(CCCOc1cccc(Cl)c1Cl)NC[C@]1(O)C[NH+]2CCC1CC2 ZINC000552028287 564674262 /nfs/dbraw/zinc/67/42/62/564674262.db2.gz TUNFSLUJNRDCCV-SFHVURJKSA-N 1 0 387.307 2.725 20 0 GFADRO C[C@H](Sc1ccc(Cl)cc1)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000524134877 564677068 /nfs/dbraw/zinc/67/70/68/564677068.db2.gz ACQNGGUHJQZXCH-UONOGXRCSA-N 1 0 383.945 2.524 20 0 GFADRO O=S(=O)(NCCC[C@@H]1CCC[NH2+]1)c1ccc(Br)c(Cl)c1 ZINC000574518500 564677755 /nfs/dbraw/zinc/67/77/55/564677755.db2.gz KXJJNSIMKGIQGR-JTQLQIEISA-N 1 0 381.723 2.913 20 0 GFADRO OCC1([NH2+]CC2CC2)CCN(Cc2nc3cc(Br)ccc3[nH]2)CC1 ZINC000574577184 564679724 /nfs/dbraw/zinc/67/97/24/564679724.db2.gz ZIPMLIXTUPTZKL-UHFFFAOYSA-N 1 0 393.329 2.652 20 0 GFADRO Cn1ncc(Br)c1CNc1cccc(C[NH+]2CCC(O)CC2)c1 ZINC000487316242 564682405 /nfs/dbraw/zinc/68/24/05/564682405.db2.gz JJUTYGDFHRZXKF-UHFFFAOYSA-N 1 0 379.302 2.751 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)N(CCO)Cc1cccc(Br)c1 ZINC000487397733 564686005 /nfs/dbraw/zinc/68/60/05/564686005.db2.gz OVBPYBULORYUDE-IAGOWNOFSA-N 1 0 396.329 2.580 20 0 GFADRO COCCN(CC[NH+](C)C)C(=O)NCCc1nc2cc(Cl)ccc2s1 ZINC000552331932 564686439 /nfs/dbraw/zinc/68/64/39/564686439.db2.gz SVNZDDYAMCLLKQ-UHFFFAOYSA-N 1 0 384.933 2.712 20 0 GFADRO CN(C)S(=O)(=O)N1CCCC[C@@H]1C[NH2+]CC1CCC(C(F)(F)F)CC1 ZINC000574719539 564686583 /nfs/dbraw/zinc/68/65/83/564686583.db2.gz BRECOEWLQLWYBW-YMAMQOFZSA-N 1 0 385.496 2.606 20 0 GFADRO C[C@@H]([NH2+]C[C@@H]1CCCCN1S(C)(=O)=O)c1sccc1Br ZINC000552332326 564686654 /nfs/dbraw/zinc/68/66/54/564686654.db2.gz MBSZCKSZPSNTAP-MNOVXSKESA-N 1 0 381.361 2.975 20 0 GFADRO CN1C(=O)C[C@@H](C(=O)NC[C@H]2CCC[N@@H+]2C)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000574738002 564687468 /nfs/dbraw/zinc/68/74/68/564687468.db2.gz ZCAHZAHSIGUKOP-XNJGSVPQSA-N 1 0 384.307 2.723 20 0 GFADRO COc1ccc(NC(=O)CC2CC[NH+](C)CC2)c(I)c1 ZINC000487497187 564689548 /nfs/dbraw/zinc/68/95/48/564689548.db2.gz DXIULIFBBUBFKP-UHFFFAOYSA-N 1 0 388.249 2.970 20 0 GFADRO C[C@@H](CNC(=O)N(C1CC1)[C@H]1CC[NH2+]C1)Oc1ccccc1Br ZINC000574974687 564689655 /nfs/dbraw/zinc/68/96/55/564689655.db2.gz JRBGXLLOKYNNKH-JSGCOSHPSA-N 1 0 382.302 2.752 20 0 GFADRO CS(=O)(=O)[C@H]1CCC[C@H]([NH2+]CCc2cnc(SC3CCCC3)nc2)C1 ZINC000552406787 564690097 /nfs/dbraw/zinc/69/00/97/564690097.db2.gz OZWMYHDKECRGOY-RDJZCZTQSA-N 1 0 383.583 2.999 20 0 GFADRO COCC[C@@H](Cc1cccc(Br)c1)C(=O)NCC[N@H+](C)C1CC1 ZINC000524961316 564691090 /nfs/dbraw/zinc/69/10/90/564691090.db2.gz GXHYMVQZEFYQCX-HNNXBMFYSA-N 1 0 383.330 2.855 20 0 GFADRO [NH3+]C[C@H]1CCCC[C@]12NC(=O)N(Cc1c(F)cccc1Br)C2=O ZINC000575043696 564691902 /nfs/dbraw/zinc/69/19/02/564691902.db2.gz MHRVEYPQIURPFT-HWPZZCPQSA-N 1 0 384.249 2.528 20 0 GFADRO CN1CCc2nc(NC(=O)[C@@H]3C[NH2+]C[C@H]3c3ccc(Cl)cc3)sc2C1 ZINC000575134133 564692242 /nfs/dbraw/zinc/69/22/42/564692242.db2.gz JWLYJVGXKATECJ-UONOGXRCSA-N 1 0 376.913 2.726 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2cc(Cl)ccc2C(=O)OC)C[C@H]1C ZINC000525385737 564699900 /nfs/dbraw/zinc/69/99/00/564699900.db2.gz IVXCRLGNIVQNTH-OCCSQVGLSA-N 1 0 388.917 2.620 20 0 GFADRO CC(C)[C@H]1CN(CC(=O)N[C@H](C)c2ccc(Br)cc2)CC[N@@H+]1C ZINC000488018090 564702541 /nfs/dbraw/zinc/70/25/41/564702541.db2.gz PWZRYSZZPIHGLX-RHSMWYFYSA-N 1 0 382.346 2.898 20 0 GFADRO C[C@H](Cc1ccccc1Br)NC(=O)NC[C@@H]1CCC[N@@H+]1CCCO ZINC000458532082 564704630 /nfs/dbraw/zinc/70/46/30/564704630.db2.gz BBVTZPPAXSXATC-ZBFHGGJFSA-N 1 0 398.345 2.526 20 0 GFADRO Cc1ccccc1OC[C@H](O)C[N@H+](CCO)Cc1cccc(Br)c1 ZINC000488213931 564707482 /nfs/dbraw/zinc/70/74/82/564707482.db2.gz DEGUUGWWYHKHLL-GOSISDBHSA-N 1 0 394.309 2.992 20 0 GFADRO C[NH+](C)CC(C)(C)NC(=O)N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000458638357 564709820 /nfs/dbraw/zinc/70/98/20/564709820.db2.gz SJJIVGYYHCQHGF-CQSZACIVSA-N 1 0 387.311 2.738 20 0 GFADRO C[C@H](NC(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1)c1ccc(Br)s1 ZINC000458668249 564710593 /nfs/dbraw/zinc/71/05/93/564710593.db2.gz DBRYOSWJXCPXMH-TUAOUCFPSA-N 1 0 390.347 2.668 20 0 GFADRO COc1cc(Br)ccc1CNC(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000458663073 564710688 /nfs/dbraw/zinc/71/06/88/564710688.db2.gz HWMGBJDJOAKJKD-CYBMUJFWSA-N 1 0 384.318 2.989 20 0 GFADRO CC[NH+](CC)[C@H](CNC(=O)NCCn1cc(Br)cn1)c1ccco1 ZINC000488443107 564711646 /nfs/dbraw/zinc/71/16/46/564711646.db2.gz UEMHOVHPWMEANI-CQSZACIVSA-N 1 0 398.305 2.621 20 0 GFADRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)Cn1cc(Br)cn1 ZINC000488489275 564711692 /nfs/dbraw/zinc/71/16/92/564711692.db2.gz AJHNCSOCDKENAW-RHSMWYFYSA-N 1 0 391.313 2.672 20 0 GFADRO CC[NH+](CC)[C@@H](CNC(=O)NCCn1cc(Br)cn1)c1ccco1 ZINC000488443106 564712147 /nfs/dbraw/zinc/71/21/47/564712147.db2.gz UEMHOVHPWMEANI-AWEZNQCLSA-N 1 0 398.305 2.621 20 0 GFADRO C[C@@H](NC(=O)NC[C@@H]1CCCC[N@@H+]1CCO)c1ccc(Br)s1 ZINC000458696792 564712435 /nfs/dbraw/zinc/71/24/35/564712435.db2.gz UJKFWJSSWMGWPB-NEPJUHHUSA-N 1 0 390.347 2.718 20 0 GFADRO CCN(CCOc1ccc(Br)cc1)C(=O)COC1CCC([NH3+])CC1 ZINC000576344096 564712894 /nfs/dbraw/zinc/71/28/94/564712894.db2.gz QURFOUJNRXIKSY-UHFFFAOYSA-N 1 0 399.329 2.963 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C(=O)NC[C@@H](C)C[NH+](C)C ZINC000553229031 564713080 /nfs/dbraw/zinc/71/30/80/564713080.db2.gz ZZGQYRDDZHEGKN-GFCCVEGCSA-N 1 0 379.302 2.871 20 0 GFADRO C[C@@H]1C[C@@H]1C[NH2+][C@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 ZINC000488533242 564714025 /nfs/dbraw/zinc/71/40/25/564714025.db2.gz PBENUVQGPOHAFN-NFAWXSAZSA-N 1 0 387.343 2.848 20 0 GFADRO C[C@@H]1CC[N@H+](CCNC(=O)c2ccccc2-n2cc(Br)cn2)C1 ZINC000576547904 564715382 /nfs/dbraw/zinc/71/53/82/564715382.db2.gz KJKYQAXOGDHFGS-CYBMUJFWSA-N 1 0 377.286 2.706 20 0 GFADRO CC[N@H+](CCOC)[C@H](C)C(=O)Nc1cccc(I)c1 ZINC000488722400 564718035 /nfs/dbraw/zinc/71/80/35/564718035.db2.gz GTDZUIYLLUYHGT-LLVKDONJSA-N 1 0 376.238 2.587 20 0 GFADRO CC[N@H+](Cc1ccc(Cl)c(Cl)c1)[C@H](C)C(=O)N1CCC[C@H](C(N)=O)C1 ZINC000488729484 564718848 /nfs/dbraw/zinc/71/88/48/564718848.db2.gz UCOKTNVSNDQORF-OCCSQVGLSA-N 1 0 386.323 2.928 20 0 GFADRO CC[C@H]([NH2+]CCCNS(=O)(=O)CC)c1cc(F)cc(Br)c1 ZINC000553422084 564719522 /nfs/dbraw/zinc/71/95/22/564719522.db2.gz TWGSACUAIUGPIC-AWEZNQCLSA-N 1 0 381.311 2.958 20 0 GFADRO CSc1nnc(CNC(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC000526109540 564720329 /nfs/dbraw/zinc/72/03/29/564720329.db2.gz OYHVWHSPNIZDEH-CQSZACIVSA-N 1 0 377.539 2.676 20 0 GFADRO CSc1ccc([C@@H](CNC(=O)NCc2nn(C)cc2Cl)[NH+](C)C)cc1 ZINC000458879847 564722257 /nfs/dbraw/zinc/72/22/57/564722257.db2.gz CRHKOBHEALPQGW-MRXNPFEDSA-N 1 0 381.933 2.898 20 0 GFADRO O=C(Cc1ccc(I)cc1)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000488860587 564722387 /nfs/dbraw/zinc/72/23/87/564722387.db2.gz GCAPPCOTNONWDX-OAHLLOKOSA-N 1 0 398.288 2.967 20 0 GFADRO CO[C@H]1CCN(C(=O)CCC(=O)c2cc(Cl)sc2Cl)[C@@H](C[NH3+])C1 ZINC000576988831 564722765 /nfs/dbraw/zinc/72/27/65/564722765.db2.gz DDKZUHIKEZRAPH-ZJUUUORDSA-N 1 0 379.309 2.983 20 0 GFADRO CC(C)C[N@@H+]1CCC[C@H](CNS(=O)(=O)c2cccnc2C(F)(F)F)C1 ZINC000553534937 564724901 /nfs/dbraw/zinc/72/49/01/564724901.db2.gz SGOAETNDCBCNSF-CYBMUJFWSA-N 1 0 379.448 2.747 20 0 GFADRO C[NH+]1CCC(N(Cc2ccccc2Br)C(=O)c2c[nH]cn2)CC1 ZINC000577114418 564725611 /nfs/dbraw/zinc/72/56/11/564725611.db2.gz AJGZZKRHJQYOAD-UHFFFAOYSA-N 1 0 377.286 2.909 20 0 GFADRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NS(=O)(=O)Cc1ccccc1Br ZINC000553543382 564726135 /nfs/dbraw/zinc/72/61/35/564726135.db2.gz WXOYNUYCMCTNEY-KGLIPLIRSA-N 1 0 389.359 2.989 20 0 GFADRO CN(C)c1ncc(Br)cc1C(=O)N1CCC([C@@H]2[NH2+]CC2(C)C)CC1 ZINC000577223833 564730298 /nfs/dbraw/zinc/73/02/98/564730298.db2.gz LBJCXZQKKKMACA-HNNXBMFYSA-N 1 0 395.345 2.760 20 0 GFADRO O=S(=O)(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1cccc(OC(F)(F)F)c1F ZINC000489130817 564730616 /nfs/dbraw/zinc/73/06/16/564730616.db2.gz PCNWUYNUAIOTJI-QWRGUYRKSA-N 1 0 382.379 2.629 20 0 GFADRO O[C@]1(C2CC2)CC[N@H+](CCCOc2cccc(I)c2)C1 ZINC000489149736 564731416 /nfs/dbraw/zinc/73/14/16/564731416.db2.gz MYEOWRCGBXJHCJ-MRXNPFEDSA-N 1 0 387.261 2.907 20 0 GFADRO O=C(NC[C@H](O)C(F)F)NC[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC000489241565 564733387 /nfs/dbraw/zinc/73/33/87/564733387.db2.gz WAZRUZGUQYFDEM-CABCVRRESA-N 1 0 375.847 2.620 20 0 GFADRO O=C(N[C@H](c1cncc(Br)c1)C1CC1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000577304194 564733737 /nfs/dbraw/zinc/73/37/37/564733737.db2.gz XPXCMQHLMVHXOA-ZBFHGGJFSA-N 1 0 379.302 2.831 20 0 GFADRO Cc1cc(CNC(=O)N[C@H](C)CC[NH+]2CCN(C)CC2)ccc1Br ZINC000459163364 564733797 /nfs/dbraw/zinc/73/37/97/564733797.db2.gz BGPWLSBJWHCPMV-OAHLLOKOSA-N 1 0 397.361 2.583 20 0 GFADRO C[C@H](NC(=O)[C@H](C)Sc1cc(Cl)ccc1Cl)C(=O)NCC[NH+](C)C ZINC000577520610 564735879 /nfs/dbraw/zinc/73/58/79/564735879.db2.gz BKKAMCLEDNKOHK-QWRGUYRKSA-N 1 0 392.352 2.657 20 0 GFADRO O=C(c1cc(Cl)cc(Cl)c1)N1CCN(C(=O)[C@H]2CCCCC[NH2+]2)CC1 ZINC000577871647 564738352 /nfs/dbraw/zinc/73/83/52/564738352.db2.gz WZTIFXBFXVETGK-MRXNPFEDSA-N 1 0 384.307 2.810 20 0 GFADRO COCCNC(=O)[C@H]1CC[C@H](C)[N@H+](Cc2cccc(O)c2Br)C1 ZINC000459332310 564739415 /nfs/dbraw/zinc/73/94/15/564739415.db2.gz VLLTWTUVVUXDFB-JSGCOSHPSA-N 1 0 385.302 2.518 20 0 GFADRO COCC[N@H+](CCC(=O)N1CCc2sccc2C1)Cc1scnc1C ZINC000489461640 564740836 /nfs/dbraw/zinc/74/08/36/564740836.db2.gz WNYJKMBGZSXCKL-UHFFFAOYSA-N 1 0 379.551 2.936 20 0 GFADRO Cn1cc(N2CC[C@H]([NH2+]Cc3cc4cc(Br)ccc4o3)C2=O)cn1 ZINC000578144270 564741265 /nfs/dbraw/zinc/74/12/65/564741265.db2.gz NSPCCTJVKAXSMV-HNNXBMFYSA-N 1 0 389.253 2.824 20 0 GFADRO C[NH+](C)C1(CNC(=O)c2cccc(F)c2I)CCC1 ZINC000527362986 564741521 /nfs/dbraw/zinc/74/15/21/564741521.db2.gz ZADYXMCYIDECCC-UHFFFAOYSA-N 1 0 376.213 2.644 20 0 GFADRO C[C@@H]1NC(=O)N(CC[NH2+][C@@H](c2ccc(Br)cc2)C2CCC2)C1=O ZINC000459391551 564742167 /nfs/dbraw/zinc/74/21/67/564742167.db2.gz KHUYYFOCIFYYTJ-XHDPSFHLSA-N 1 0 380.286 2.820 20 0 GFADRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2S(=O)(=O)Cc2cccc(Br)c2)C1 ZINC000553872688 564742282 /nfs/dbraw/zinc/74/22/82/564742282.db2.gz ZXSYHDORCJWKKL-GDBMZVCRSA-N 1 0 387.343 2.695 20 0 GFADRO C[N@@H+]1CCC[C@@H]2CN(S(=O)(=O)Cc3ccccc3Br)CC[C@@H]21 ZINC000553872579 564742784 /nfs/dbraw/zinc/74/27/84/564742784.db2.gz YRJIIKGXOJTDEV-CJNGLKHVSA-N 1 0 387.343 2.695 20 0 GFADRO C[C@H]1NC(=O)N(CC[NH2+][C@@H](c2cc(F)cc(Br)c2)C2CC2)C1=O ZINC000459402955 564744077 /nfs/dbraw/zinc/74/40/77/564744077.db2.gz GFSDUZQFQRJGKD-YMTOWFKASA-N 1 0 384.249 2.569 20 0 GFADRO C[NH+](C)CCN(Cc1ccsc1)C(=O)Nc1ccn(CC(F)(F)F)n1 ZINC000459455274 564744813 /nfs/dbraw/zinc/74/48/13/564744813.db2.gz FGMDMALJYHQNMQ-UHFFFAOYSA-N 1 0 375.420 3.103 20 0 GFADRO COCCO[C@@H]1C[C@@H](CO)CN(Cc2cc(Cl)cc(Br)c2)C1 ZINC000459430329 564745045 /nfs/dbraw/zinc/74/50/45/564745045.db2.gz QIIFMMOUWANZRQ-CZUORRHYSA-N 1 0 392.721 2.948 20 0 GFADRO O=C([C@H]1CC[N@@H+](CCOc2cc(F)cc(Br)c2)C1)N1CCCC1 ZINC000553943838 564746239 /nfs/dbraw/zinc/74/62/39/564746239.db2.gz LTEGJGRJSMKNQJ-ZDUSSCGKSA-N 1 0 385.277 2.911 20 0 GFADRO C[NH+](C)CCN(Cc1ccsc1)C(=O)Nc1ccncc1Br ZINC000459484790 564746738 /nfs/dbraw/zinc/74/67/38/564746738.db2.gz RAEYHBFJKAPAKB-UHFFFAOYSA-N 1 0 383.315 2.923 20 0 GFADRO COCCN(Cc1ccc(Br)s1)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000579332842 564746946 /nfs/dbraw/zinc/74/69/46/564746946.db2.gz CSSZMSRADIULMQ-GFCCVEGCSA-N 1 0 390.347 2.811 20 0 GFADRO CN([C@H](C[NH3+])C1CC1)S(=O)(=O)c1ccc2ccccc2c1Br ZINC000579354265 564747090 /nfs/dbraw/zinc/74/70/90/564747090.db2.gz WISDJOATTWXDNS-CQSZACIVSA-N 1 0 383.311 2.960 20 0 GFADRO C[C@H]([NH2+]CCc1cncn1C)c1ccc(Br)cc1OCCCO ZINC000459510232 564748048 /nfs/dbraw/zinc/74/80/48/564748048.db2.gz YWBJUHFPXXHDBT-ZDUSSCGKSA-N 1 0 382.302 2.837 20 0 GFADRO COC[C@@H]([NH2+]C[C@@H]1CCN(S(=O)(=O)c2cccs2)C1)c1ccccc1 ZINC000554094891 564749850 /nfs/dbraw/zinc/74/98/50/564749850.db2.gz LQIITRYAVOTLJI-DOTOQJQBSA-N 1 0 380.535 2.736 20 0 GFADRO CON1CCC([N@H+](C)Cc2nnc(-c3ccccc3Br)o2)CC1 ZINC000459595190 564752380 /nfs/dbraw/zinc/75/23/80/564752380.db2.gz ZTFXERVCCQOWII-UHFFFAOYSA-N 1 0 381.274 2.957 20 0 GFADRO CC(C)Oc1cc(Cl)c(C[NH2+]CCN2CCCS2(=O)=O)cc1Cl ZINC000527652707 564753234 /nfs/dbraw/zinc/75/32/34/564753234.db2.gz GYOXTLURUCREMR-UHFFFAOYSA-N 1 0 381.325 2.906 20 0 GFADRO C[NH+]1CCN(c2ncccc2CNCc2ccsc2Br)CC1 ZINC000527647210 564753275 /nfs/dbraw/zinc/75/32/75/564753275.db2.gz YIIAECRJKRDHSE-UHFFFAOYSA-N 1 0 381.343 2.947 20 0 GFADRO C[C@]1(NC(=O)c2cc[nH]c(=O)c2Br)CC[N@H+](Cc2ccccc2)C1 ZINC000579972044 564754490 /nfs/dbraw/zinc/75/44/90/564754490.db2.gz ZZJSWKBPBNATKB-SFHVURJKSA-N 1 0 390.281 2.944 20 0 GFADRO Cc1cc(C[NH2+]C2CCN(CCN3CCOCC3)CC2)ccc1Br ZINC000459662097 564755857 /nfs/dbraw/zinc/75/58/57/564755857.db2.gz NDGXFJXAUYZGHG-UHFFFAOYSA-N 1 0 396.373 2.644 20 0 GFADRO CNC(=O)[C@H](CCSC)[NH2+][C@@H](C)c1ccc(OC)c(Br)c1 ZINC000489890026 564756719 /nfs/dbraw/zinc/75/67/19/564756719.db2.gz YBLYJLLEMXFHAS-GWCFXTLKSA-N 1 0 375.332 2.976 20 0 GFADRO O=C(C[NH2+]C1(CO)CCSCC1)Nc1ccc(Br)cc1Cl ZINC000459708145 564757681 /nfs/dbraw/zinc/75/76/81/564757681.db2.gz XAFBLFHDWKLABC-UHFFFAOYSA-N 1 0 393.734 2.889 20 0 GFADRO C[NH+](C)CCN1CCN(C(=O)c2c(Br)ccc3ccccc32)CC1 ZINC000527717363 564757797 /nfs/dbraw/zinc/75/77/97/564757797.db2.gz OCICYSWVAQIEFR-UHFFFAOYSA-N 1 0 390.325 2.922 20 0 GFADRO O=C(C[NH2+]C1(CO)CCSCC1)N[C@@H](c1cccs1)c1ccccc1 ZINC000459721492 564759096 /nfs/dbraw/zinc/75/90/96/564759096.db2.gz YNUFZBXUFYVKLK-GOSISDBHSA-N 1 0 376.547 2.801 20 0 GFADRO CN1C2(CCC2)COC[C@]1(CO)C[NH2+]Cc1csc(-c2ccsc2)n1 ZINC000527751887 564759242 /nfs/dbraw/zinc/75/92/42/564759242.db2.gz DADABLOBYIXFCM-GOSISDBHSA-N 1 0 379.551 2.577 20 0 GFADRO CCCOc1c(Br)cc(C[NH2+]C[C@H](O)[C@H]2CCCO2)cc1OC ZINC000527758209 564759621 /nfs/dbraw/zinc/75/96/21/564759621.db2.gz JABJJAOFOBSKIK-LSDHHAIUSA-N 1 0 388.302 2.876 20 0 GFADRO C[C@@H]1C[NH+](CCCNC(=O)c2ccc(Br)c(F)c2F)C[C@@H](C)O1 ZINC000527775110 564760777 /nfs/dbraw/zinc/76/07/77/564760777.db2.gz YKSXVPRLBMOTLD-GHMZBOCLSA-N 1 0 391.256 2.956 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH2+]C[C@H](O)[C@@H]1CCCO1 ZINC000527760934 564760809 /nfs/dbraw/zinc/76/08/09/564760809.db2.gz UFGQBJHNLIGSES-ROUUACIJSA-N 1 0 394.313 2.881 20 0 GFADRO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000459854069 564762993 /nfs/dbraw/zinc/76/29/93/564762993.db2.gz PYKYGDLWBLJSSM-UHFFFAOYSA-N 1 0 386.323 2.895 20 0 GFADRO CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000459854912 564763022 /nfs/dbraw/zinc/76/30/22/564763022.db2.gz JSEFWKMLBSPLTF-UHFFFAOYSA-N 1 0 383.945 2.837 20 0 GFADRO O=C(N[C@@H]1C[NH2+]CCC1(F)F)N1CCO[C@@H](c2ccc(F)cc2Cl)C1 ZINC000580540816 564763103 /nfs/dbraw/zinc/76/31/03/564763103.db2.gz SEAHDVGEODGCNT-ZIAGYGMSSA-N 1 0 377.794 2.559 20 0 GFADRO Cc1ccc(-c2nc(NC(=O)CCNC(=O)[C@H]3CCC[NH2+]3)sc2C)s1 ZINC000580559566 564763981 /nfs/dbraw/zinc/76/39/81/564763981.db2.gz NYPAFYGLJNEMRY-GFCCVEGCSA-N 1 0 378.523 2.685 20 0 GFADRO C[C@@H]1CN(S(=O)(=O)Cc2ccc(Cl)cc2Br)[C@@H](C)C[NH2+]1 ZINC000580563163 564765147 /nfs/dbraw/zinc/76/51/47/564765147.db2.gz DDTQVRZSXHFURD-ZJUUUORDSA-N 1 0 381.723 2.615 20 0 GFADRO C[C@H]([NH2+]C[C@H](n1cccn1)C(F)(F)F)c1ccc(NS(C)(=O)=O)cc1 ZINC000527929507 564765372 /nfs/dbraw/zinc/76/53/72/564765372.db2.gz DCOWUWVPMWRRJL-FZMZJTMJSA-N 1 0 376.404 2.709 20 0 GFADRO C[C@H]([NH2+]C[C@]1(CO)COCC2(CCC2)N1C)c1cc(Br)cs1 ZINC000527954674 564766068 /nfs/dbraw/zinc/76/60/68/564766068.db2.gz MGBJVLCGUHLWJG-LRDDRELGSA-N 1 0 389.359 2.777 20 0 GFADRO O=C(Nc1ccn(-c2ccc(Br)cc2)n1)[C@@H]1CCCN1C1CC1 ZINC000554577284 564766600 /nfs/dbraw/zinc/76/66/00/564766600.db2.gz FXEXAHOEOFVRBD-HNNXBMFYSA-N 1 0 375.270 3.200 20 0 GFADRO C[C@@H]1CC[N@H+](CC(=O)N2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)C1 ZINC000554597717 564767886 /nfs/dbraw/zinc/76/78/86/564767886.db2.gz VWHYTJSHYCZZQM-CYBMUJFWSA-N 1 0 384.307 2.620 20 0 GFADRO C[C@H](Oc1ccc(F)cc1Br)C(=O)N1CC[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000490302226 564768300 /nfs/dbraw/zinc/76/83/00/564768300.db2.gz WOYNFXYJOFQFHE-ZOWXZIJZSA-N 1 0 385.277 2.908 20 0 GFADRO C[C@H](OC[C@@H](O)C[NH2+]CCNC(=O)c1cccs1)c1ccc(Cl)cc1 ZINC000580709689 564769987 /nfs/dbraw/zinc/76/99/87/564769987.db2.gz LISIZNSYROGTFU-BBRMVZONSA-N 1 0 382.913 2.860 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NCCCc1ccc(Cl)cc1Cl ZINC000554727223 564772003 /nfs/dbraw/zinc/77/20/03/564772003.db2.gz YNPFNJOMTBIXKP-HNNXBMFYSA-N 1 0 386.323 2.643 20 0 GFADRO CCC[N@H+](CC)C[C@H](C)NC(=O)C(=O)Nc1cc(Br)ccc1C ZINC000580745545 564772111 /nfs/dbraw/zinc/77/21/11/564772111.db2.gz CEQFLLFJPBLTFP-ZDUSSCGKSA-N 1 0 384.318 2.933 20 0 GFADRO C[N@@H+]1CC[C@@]2(CCN(S(=O)(=O)c3ccc(OC(F)F)c(Cl)c3)C2)C1 ZINC000490511695 564775132 /nfs/dbraw/zinc/77/51/32/564775132.db2.gz HKFPTZUWFKLQCP-OAHLLOKOSA-N 1 0 380.844 2.658 20 0 GFADRO CCC(CC)(CCO)[NH2+]CC(=O)Nc1ccc(I)cc1 ZINC000554854050 564775481 /nfs/dbraw/zinc/77/54/81/564775481.db2.gz MZCCMRKHAZYBRS-UHFFFAOYSA-N 1 0 390.265 2.761 20 0 GFADRO C[N@@H+](Cc1ccc(Br)c2cccnc12)C[C@@H]1CCS(=O)(=O)C1 ZINC000490595352 564778078 /nfs/dbraw/zinc/77/80/78/564778078.db2.gz CRRPLJYZERIBAP-LBPRGKRZSA-N 1 0 383.311 2.864 20 0 GFADRO CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+]Cc2cn3ccc(Br)cc3n2)C1 ZINC000554972285 564779938 /nfs/dbraw/zinc/77/99/38/564779938.db2.gz IWJGEUYSTDLVHI-GXTWGEPZSA-N 1 0 386.315 2.542 20 0 GFADRO O=C(Nc1ccc(Cl)cc1Cl)N1CC[NH+]([C@@H]2CCNC(=O)CC2)CC1 ZINC000580935337 564780327 /nfs/dbraw/zinc/78/03/27/564780327.db2.gz XFXXVZBBGNGBPB-ZDUSSCGKSA-N 1 0 385.295 2.812 20 0 GFADRO C[C@H]1C[C@H](NC(=O)Cc2noc3ccc(Br)cc32)C[N@@H+]1C1CC1 ZINC000581067201 564785865 /nfs/dbraw/zinc/78/58/65/564785865.db2.gz ZNQLPKJALIPCPK-JQWIXIFHSA-N 1 0 378.270 2.874 20 0 GFADRO CSC1(CNC(=O)c2cc(Br)cc3[nH]cnc32)CC[NH+](C)CC1 ZINC000460965984 564786817 /nfs/dbraw/zinc/78/68/17/564786817.db2.gz AHZHLPOLAUZYHT-UHFFFAOYSA-N 1 0 397.342 2.883 20 0 GFADRO CC(C)(C)[C@@H](O)C[C@@H](CO)[NH2+]Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000581086864 564787206 /nfs/dbraw/zinc/78/72/06/564787206.db2.gz AUDOKUNUHPDIRA-RDJZCZTQSA-N 1 0 396.329 2.882 20 0 GFADRO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000461030028 564788326 /nfs/dbraw/zinc/78/83/26/564788326.db2.gz PIWANLHHXWEOOT-ZIAGYGMSSA-N 1 0 396.329 2.647 20 0 GFADRO CCN(CCC[NH+](C)C)C(=O)[C@H]1CC(=O)Nc2ccc(Br)cc21 ZINC000555299906 564789210 /nfs/dbraw/zinc/78/92/10/564789210.db2.gz UPNPWGDPVHRBGU-AWEZNQCLSA-N 1 0 382.302 2.675 20 0 GFADRO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@@H](CCO)C1CCOCC1 ZINC000461084013 564789234 /nfs/dbraw/zinc/78/92/34/564789234.db2.gz GXLBDOAGCJBKKE-DYVFJYSZSA-N 1 0 399.329 2.933 20 0 GFADRO COCC[N@@H+]1CCC[C@@H]1CNc1ccc(Br)c(C(F)(F)F)n1 ZINC000581148258 564789275 /nfs/dbraw/zinc/78/92/75/564789275.db2.gz AGRFZUHFJDLPSW-SNVBAGLBSA-N 1 0 382.224 2.808 20 0 GFADRO CC[N@@H+]1CC[C@H](CNC(=O)Nc2ccc3nccnc3c2Br)C1 ZINC000491250295 564789548 /nfs/dbraw/zinc/78/95/48/564789548.db2.gz RBSGVKXTFHSQKV-LLVKDONJSA-N 1 0 378.274 2.856 20 0 GFADRO CN(C[C@H]1CC[N@H+](C)C1)C(=O)CCNc1ncc(C(F)(F)F)cc1Cl ZINC000461110843 564789999 /nfs/dbraw/zinc/78/99/99/564789999.db2.gz INSUIEVXYLTZKQ-NSHDSACASA-N 1 0 378.826 2.966 20 0 GFADRO COc1cc(C[NH2+]C[C@@]2(OC)CCOC2)cc(Br)c1OC(F)F ZINC000461432202 564796817 /nfs/dbraw/zinc/79/68/17/564796817.db2.gz WQVJUPXHNQEKEF-HNNXBMFYSA-N 1 0 396.228 2.954 20 0 GFADRO CC(C)(C)C[C@@H](O)C[NH2+]CCS(=O)(=O)c1cccc(Br)c1 ZINC000581310588 564797242 /nfs/dbraw/zinc/79/72/42/564797242.db2.gz HUQNWQCVNLVFFG-CYBMUJFWSA-N 1 0 378.332 2.610 20 0 GFADRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)c3cn(-c4ccc(Br)cc4)cn3)C[C@@H]21 ZINC000581305163 564797481 /nfs/dbraw/zinc/79/74/81/564797481.db2.gz RYWSSBGLXRMWNN-VBNZEHGJSA-N 1 0 389.297 2.834 20 0 GFADRO C[N@@H+]1CCC[C@@]2(CCN([C@H](C(N)=O)c3ccc(Br)cc3F)C2)C1 ZINC000555597533 564798364 /nfs/dbraw/zinc/79/83/64/564798364.db2.gz JVPRWBSQRMYCSP-DOTOQJQBSA-N 1 0 384.293 2.532 20 0 GFADRO O=C(CCOCC(F)(F)C(F)(F)F)NCCN1CCc2sccc2C1 ZINC000555587661 564798572 /nfs/dbraw/zinc/79/85/72/564798572.db2.gz FZJZYGRKMYPNCE-UHFFFAOYSA-N 1 0 386.386 2.827 20 0 GFADRO CC(C)[C@@H]1C[NH2+]CCN1C(=O)Nc1ccc2nccnc2c1Br ZINC000528694199 564800409 /nfs/dbraw/zinc/80/04/09/564800409.db2.gz WWHBGQYCMVEREZ-ZDUSSCGKSA-N 1 0 378.274 2.854 20 0 GFADRO O=C(Nc1ccc(I)cc1F)N[C@H]1CC[NH2+]C12CCC2 ZINC000528696800 564801165 /nfs/dbraw/zinc/80/11/65/564801165.db2.gz KTUGALKWCIHICA-LBPRGKRZSA-N 1 0 389.212 2.836 20 0 GFADRO C[N@@H+]1CCC[C@H](CCNC(=O)N2CCC(n3cc(Br)cn3)CC2)C1 ZINC000581415019 564801907 /nfs/dbraw/zinc/80/19/07/564801907.db2.gz QYLVELLSPOJSAJ-CQSZACIVSA-N 1 0 398.349 2.724 20 0 GFADRO CCC[NH+]1CCC(NC(=O)c2cc(Br)cc(C(=O)OC)c2)CC1 ZINC000461727322 564803282 /nfs/dbraw/zinc/80/32/82/564803282.db2.gz NZEJVXBNFZMUGY-UHFFFAOYSA-N 1 0 383.286 2.840 20 0 GFADRO CCCN1C[C@H](C[NH2+]C[C@H](O)COc2cc(Cl)ccc2Cl)CC1=O ZINC000581543696 564806879 /nfs/dbraw/zinc/80/68/79/564806879.db2.gz RHGIIJOIZXUVIZ-JSGCOSHPSA-N 1 0 375.296 2.581 20 0 GFADRO C[C@@H]1CCCN(CCNc2c(Br)cccc2S(C)(=O)=O)C1 ZINC000555894729 564807754 /nfs/dbraw/zinc/80/77/54/564807754.db2.gz SKWVKAGFNJPYSM-GFCCVEGCSA-N 1 0 375.332 2.996 20 0 GFADRO CSc1ccc([C@H](CNC(=O)C(=O)Nc2cnc(C)s2)[NH+](C)C)cc1 ZINC000493624598 564810137 /nfs/dbraw/zinc/81/01/37/564810137.db2.gz YCQKSBZWNYAETQ-AWEZNQCLSA-N 1 0 378.523 2.531 20 0 GFADRO [NH3+]C[C@H]1CCCC[C@]12NC(=O)N(CCOc1cc(Cl)ccc1Cl)C2=O ZINC000581605893 564810162 /nfs/dbraw/zinc/81/01/62/564810162.db2.gz FSWBXYSZFDYQKM-DIFFPNOSSA-N 1 0 386.279 2.812 20 0 GFADRO C[C@@H](CNC(=O)C(=O)NCc1c(Cl)cccc1Cl)[N@@H+]1CCC[C@H](C)C1 ZINC000556135473 564813086 /nfs/dbraw/zinc/81/30/86/564813086.db2.gz JDVPTFPRGUODHR-STQMWFEESA-N 1 0 386.323 2.846 20 0 GFADRO CCc1sc(C(=O)NC[C@H](C)N2CC[NH+](CC)CC2)cc1Br ZINC000556127410 564813192 /nfs/dbraw/zinc/81/31/92/564813192.db2.gz GWKMAZXEOUDTTQ-LBPRGKRZSA-N 1 0 388.375 2.829 20 0 GFADRO C[C@H](C(=O)NC[C@H](O)C[NH+]1CCC(C)CC1)c1cccc(Br)c1 ZINC000462061844 564814270 /nfs/dbraw/zinc/81/42/70/564814270.db2.gz XDZNJACQJFWCNG-YOEHRIQHSA-N 1 0 383.330 2.762 20 0 GFADRO C[C@@H]1CCC[N@H+](CCNS(=O)(=O)CCc2ccccc2Br)C1 ZINC000462082322 564816948 /nfs/dbraw/zinc/81/69/48/564816948.db2.gz BWJWJDREWPULDA-CQSZACIVSA-N 1 0 389.359 2.643 20 0 GFADRO CC[C@@H](C)[N@H+](C)CCNS(=O)(=O)CCc1ccccc1Br ZINC000462081897 564817117 /nfs/dbraw/zinc/81/71/17/564817117.db2.gz AJRJXLGDHQAYBO-CYBMUJFWSA-N 1 0 377.348 2.641 20 0 GFADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)c2cc3cc(Cl)sc3[nH]2)CC1 ZINC000581758901 564817069 /nfs/dbraw/zinc/81/70/69/564817069.db2.gz JMLFRSSNEWUYEO-UHFFFAOYSA-N 1 0 382.917 2.509 20 0 GFADRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+][C@@H]2CCOC3(CCSCC3)C2)cc1 ZINC000581742889 564817113 /nfs/dbraw/zinc/81/71/13/564817113.db2.gz VPZVSDGRJMKZDR-GOEBONIOSA-N 1 0 384.567 2.690 20 0 GFADRO C[C@@H](C(=O)NCc1cc(Br)ccc1Br)C1C[NH2+]C1 ZINC000581882557 564822087 /nfs/dbraw/zinc/82/20/87/564822087.db2.gz AYPFMZFXBQCYHF-MRVPVSSYSA-N 1 0 376.092 2.683 20 0 GFADRO C[C@]1(Br)C[C@@H]1C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000529168917 564823490 /nfs/dbraw/zinc/82/34/90/564823490.db2.gz RNVVZTKDRJXPGR-JZXOWHBKSA-N 1 0 381.314 2.567 20 0 GFADRO O=C(CC[NH2+]C[C@H](CO)Cc1ccco1)Nc1ccc(Br)cc1 ZINC000581943694 564823574 /nfs/dbraw/zinc/82/35/74/564823574.db2.gz SFUZPYYEKAAIPX-CYBMUJFWSA-N 1 0 381.270 2.812 20 0 GFADRO C[C@H]1C[N@H+](C[C@@H](O)COc2cc(F)cc(Br)c2)CC2(CCC2)O1 ZINC000581942015 564823890 /nfs/dbraw/zinc/82/38/90/564823890.db2.gz QGXNMELZDDADAV-SWLSCSKDSA-N 1 0 388.277 2.971 20 0 GFADRO C[C@@H](C(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1)c1cccc(Br)c1 ZINC000462146647 564823865 /nfs/dbraw/zinc/82/38/65/564823865.db2.gz OWMAMTZWFQQGNR-CABCVRRESA-N 1 0 381.314 2.733 20 0 GFADRO CC(C)[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000581975738 564825039 /nfs/dbraw/zinc/82/50/39/564825039.db2.gz SFRXVUBTMRLDTO-UONOGXRCSA-N 1 0 396.329 2.647 20 0 GFADRO Cc1c(S(=O)(=O)NC[C@H](C)[N@H+](C)C2CC2)cnn1-c1ccc(Cl)cc1 ZINC000462163122 564825642 /nfs/dbraw/zinc/82/56/42/564825642.db2.gz TYCNWOJHWMODPL-LBPRGKRZSA-N 1 0 382.917 2.595 20 0 GFADRO COC(=O)c1cc(Br)cc(C(=O)NC[C@@H]2CC[N@H+](CC(C)C)C2)c1 ZINC000462189855 564826399 /nfs/dbraw/zinc/82/63/99/564826399.db2.gz NGEKBOPGXMGUNL-ZDUSSCGKSA-N 1 0 397.313 2.943 20 0 GFADRO [NH3+][C@H]1CCO[C@@H](C2CCN(C(=O)COc3cccc(Br)c3)CC2)C1 ZINC000581997403 564826661 /nfs/dbraw/zinc/82/66/61/564826661.db2.gz IHVPWOSABUBWMY-DOTOQJQBSA-N 1 0 397.313 2.573 20 0 GFADRO O=C(N[C@@H]1CCN(c2ccc(Br)cc2)C1)N[C@@H]1CC[NH2+]C12CCC2 ZINC000529300315 564828397 /nfs/dbraw/zinc/82/83/97/564828397.db2.gz BVBWAFYDEJXNMQ-GDBMZVCRSA-N 1 0 393.329 2.612 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)C[NH2+]Cc1ccc2c(c1)nnn2C ZINC000582054424 564828427 /nfs/dbraw/zinc/82/84/27/564828427.db2.gz URRNATGRCSSKKB-UHFFFAOYSA-N 1 0 388.269 2.768 20 0 GFADRO O=C(NC[C@@H]1COCC[NH2+]1)N[C@H](c1ccc(Br)cc1)C1CCC1 ZINC000529308262 564829279 /nfs/dbraw/zinc/82/92/79/564829279.db2.gz DNEFHCIXGKOYBQ-CVEARBPZSA-N 1 0 382.302 2.578 20 0 GFADRO C[C@@H](CCn1cccn1)[NH2+]Cc1cc(C(F)(F)F)cc(S(C)(=O)=O)c1 ZINC000556576005 564831283 /nfs/dbraw/zinc/83/12/83/564831283.db2.gz LTBHGXBESRGCGX-LBPRGKRZSA-N 1 0 375.416 2.874 20 0 GFADRO C[C@H]1CN(Cc2cccc(I)c2)CC[N@@H+]1CC(C)(C)O ZINC000556604057 564832172 /nfs/dbraw/zinc/83/21/72/564832172.db2.gz UWGUNKJDYQCVJD-ZDUSSCGKSA-N 1 0 388.293 2.568 20 0 GFADRO Cc1c(Br)cccc1C[C@H](CO)CNC(=O)C12CCC[NH+]1CCC2 ZINC000582165868 564832897 /nfs/dbraw/zinc/83/28/97/564832897.db2.gz RLBDIXSXTPXWIG-HNNXBMFYSA-N 1 0 395.341 2.653 20 0 GFADRO C[C@@H](NC(=O)N1CCC[C@H]1C[NH+]1CCCCC1)c1ncc(Br)cn1 ZINC000582166906 564833081 /nfs/dbraw/zinc/83/30/81/564833081.db2.gz QYTRNAXAAFZSJB-HIFRSBDPSA-N 1 0 396.333 2.960 20 0 GFADRO Cc1cc(N2CC[C@H]([NH2+][C@H](C)Cn3cccn3)C2=O)ccc1Br ZINC000462318520 564833528 /nfs/dbraw/zinc/83/35/28/564833528.db2.gz SIHMNUVJOGTRHN-CJNGLKHVSA-N 1 0 377.286 2.738 20 0 GFADRO Cc1cccc(CC(=O)N2CCC[C@@H](C[N@@H+]3CC[C@@H](O)C3)C2)c1Br ZINC000529399474 564834046 /nfs/dbraw/zinc/83/40/46/564834046.db2.gz QLIXVDUTAXZTGM-DOTOQJQBSA-N 1 0 395.341 2.605 20 0 GFADRO O=C(CC[C@@H]1CCC[NH2+]1)N1CCN(C(=O)c2cc3sccc3s2)CC1 ZINC000494651383 564836464 /nfs/dbraw/zinc/83/64/64/564836464.db2.gz VJFGQVQVHUENSI-ZDUSSCGKSA-N 1 0 377.535 2.779 20 0 GFADRO OCCOC1CC[NH+](Cc2c[nH]nc2-c2ccc(Br)s2)CC1 ZINC000529529486 564839612 /nfs/dbraw/zinc/83/96/12/564839612.db2.gz LOOPZSMCCPSOHW-UHFFFAOYSA-N 1 0 386.315 2.874 20 0 GFADRO CN(CC(=O)Nc1ccccc1Br)C(=O)C[C@H]1CCCC[C@H]1[NH3+] ZINC000582298886 564839746 /nfs/dbraw/zinc/83/97/46/564839746.db2.gz IIRURGKOZLLUKG-TZMCWYRMSA-N 1 0 382.302 2.754 20 0 GFADRO CC1(C)NC(=O)CC[C@@H]1[NH2+]C[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000494896557 564843660 /nfs/dbraw/zinc/84/36/60/564843660.db2.gz GZXIRLVSISVUHE-CJNGLKHVSA-N 1 0 380.330 2.922 20 0 GFADRO CC[NH+]1CCC(N2CCCN(Cc3ncc(Br)cc3F)CC2)CC1 ZINC000529610510 564844670 /nfs/dbraw/zinc/84/46/70/564844670.db2.gz GRRCCDQNEFAJKL-UHFFFAOYSA-N 1 0 399.352 2.975 20 0 GFADRO C[NH+](C)[C@@H]1CCCN(C(=O)c2cc(=O)c3cc(Br)ccc3[nH]2)CC1 ZINC000582397010 564844752 /nfs/dbraw/zinc/84/47/52/564844752.db2.gz OQANSJUTSADYMX-CYBMUJFWSA-N 1 0 392.297 2.847 20 0 GFADRO Cc1cc(Br)cc(C[NH2+]C[C@H]2CC[C@@H](CO)O2)c1OC(F)F ZINC000556888981 564844890 /nfs/dbraw/zinc/84/48/90/564844890.db2.gz NIBWVPQBBVQRQE-OLZOCXBDSA-N 1 0 380.229 2.988 20 0 GFADRO C[C@@H]1C[C@H]([NH2+]CCCNS(=O)(=O)c2ccccc2Br)[C@@H]1C ZINC000495005053 564845543 /nfs/dbraw/zinc/84/55/43/564845543.db2.gz ILXKYPMYRMGDGN-BZPMIXESSA-N 1 0 375.332 2.752 20 0 GFADRO Clc1ccc(Cc2nc(CN3CC[C@H](N4CC[NH2+]CC4)C3)cs2)cc1 ZINC000582424022 564846526 /nfs/dbraw/zinc/84/65/26/564846526.db2.gz SUZJFWKGMMUTRR-SFHVURJKSA-N 1 0 376.957 2.867 20 0 GFADRO Cc1cc(Cl)ccc1S(=O)(=O)NCC[NH2+][C@@H]1CCCC12CCOCC2 ZINC000556921049 564847001 /nfs/dbraw/zinc/84/70/01/564847001.db2.gz LZQIMUGXDMABFU-QGZVFWFLSA-N 1 0 386.945 2.866 20 0 GFADRO C[C@H]([NH2+]C[C@H](N1CCOCC1)C(F)(F)F)c1ccc(Br)cn1 ZINC000556924741 564847095 /nfs/dbraw/zinc/84/70/95/564847095.db2.gz VTUBUGMJJLYNHE-GWCFXTLKSA-N 1 0 382.224 2.758 20 0 GFADRO COC(=O)c1cc(S(=O)(=O)NCC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)cs1 ZINC000462552481 564847125 /nfs/dbraw/zinc/84/71/25/564847125.db2.gz ODGSZDSARCLWEM-BETUJISGSA-N 1 0 388.555 2.570 20 0 GFADRO CCC[NH+]1CCC(N(C)S(=O)(=O)c2cc(Cl)cc(C(=O)OC)c2)CC1 ZINC000462544491 564847483 /nfs/dbraw/zinc/84/74/83/564847483.db2.gz ATRJXIKMUWWRIS-UHFFFAOYSA-N 1 0 388.917 2.622 20 0 GFADRO O=C(C1=Cc2cc(Br)ccc2OC1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000582485390 564848455 /nfs/dbraw/zinc/84/84/55/564848455.db2.gz ZXAAYVPXMAZVET-GOSISDBHSA-N 1 0 377.282 2.827 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)C(=O)N[C@@H](c1cccs1)C1CC1)c1cccs1 ZINC000582500370 564848952 /nfs/dbraw/zinc/84/89/52/564848952.db2.gz KCNLBZNPXBTIPU-XJKSGUPXSA-N 1 0 377.535 2.796 20 0 GFADRO [NH3+]C[C@H]1CCCC[C@@]12NC(=O)N(Cc1csc(-c3cccs3)n1)C2=O ZINC000582544267 564850890 /nfs/dbraw/zinc/85/08/90/564850890.db2.gz CKLYBYZIVDHVOZ-PIGZYNQJSA-N 1 0 376.507 2.811 20 0 GFADRO Cc1cc(S(=O)(=O)N2CC[C@@H]([NH+]3CCCC3)C2)c(F)cc1Br ZINC000557080342 564853586 /nfs/dbraw/zinc/85/35/86/564853586.db2.gz UKRBKACQIOUJCG-GFCCVEGCSA-N 1 0 391.306 2.755 20 0 GFADRO CS[C@@H]1CN(C(=O)Cc2csc(Cc3ccccc3)n2)C[C@H]1[NH+](C)C ZINC000495638728 564855874 /nfs/dbraw/zinc/85/58/74/564855874.db2.gz SARCNMRDPBZBSF-IAGOWNOFSA-N 1 0 375.563 2.780 20 0 GFADRO CC1([NH+]2CCOCC2)CCN(C(=O)Cc2cscc2Br)CC1 ZINC000529907997 564855985 /nfs/dbraw/zinc/85/59/85/564855985.db2.gz CRHWOUSEQHTMES-UHFFFAOYSA-N 1 0 387.343 2.766 20 0 GFADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)c1 ZINC000462710329 564856137 /nfs/dbraw/zinc/85/61/37/564856137.db2.gz FAVZWMWOZARJLB-OAHLLOKOSA-N 1 0 388.917 2.622 20 0 GFADRO CN(CC[C@H]1CCCC[N@@H+]1C)S(=O)(=O)c1cccc(Br)c1 ZINC000462711843 564856180 /nfs/dbraw/zinc/85/61/80/564856180.db2.gz SPJIRGAPCHEOIV-CQSZACIVSA-N 1 0 375.332 2.944 20 0 GFADRO C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000495775632 564857119 /nfs/dbraw/zinc/85/71/19/564857119.db2.gz UBAGWLJFTYCJKN-QWHCGFSZSA-N 1 0 386.323 2.960 20 0 GFADRO COc1ccc([C@H](C[NH+](C)C)NC(=O)c2nc(SC)ncc2Cl)cc1 ZINC000557207214 564857774 /nfs/dbraw/zinc/85/77/74/564857774.db2.gz QYHPXEOMNRJRCY-AWEZNQCLSA-N 1 0 380.901 2.893 20 0 GFADRO CC[C@H](C)[N@H+](C)CCNc1ncnc2ccc(I)cc21 ZINC000462813197 564859111 /nfs/dbraw/zinc/85/91/11/564859111.db2.gz QPEJWUQDINDQDD-NSHDSACASA-N 1 0 384.265 3.377 20 0 GFADRO CO[C@H]1CCC[C@H]1C[NH2+]CCS(=O)(=O)c1cccc(Br)c1 ZINC000582720803 564859134 /nfs/dbraw/zinc/85/91/34/564859134.db2.gz ICFJKZXJICBKOL-WFASDCNBSA-N 1 0 376.316 2.628 20 0 GFADRO Cc1ccc(C)c(OC[C@H](O)C[NH2+]CCn2cc(Br)cn2)c1C ZINC000582721354 564859257 /nfs/dbraw/zinc/85/92/57/564859257.db2.gz DAKZLFXNIWDEHP-MRXNPFEDSA-N 1 0 382.302 2.600 20 0 GFADRO CN(C)c1ncc(Br)cc1C(=O)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000530028229 564860213 /nfs/dbraw/zinc/86/02/13/564860213.db2.gz IVZFXAXCBWSTEN-CQSZACIVSA-N 1 0 381.318 2.657 20 0 GFADRO Cn1c2cc(Cl)ccc2nc1C[NH2+]C[C@H]1CS(=O)(=O)c2ccccc21 ZINC000582766005 564860847 /nfs/dbraw/zinc/86/08/47/564860847.db2.gz PITYDDVILRHJTP-LBPRGKRZSA-N 1 0 375.881 2.887 20 0 GFADRO C[C@@H](CNC(=O)[C@@H](c1cc(Cl)cc(Cl)c1)N1CCOCC1)C[NH+](C)C ZINC000557467091 564864509 /nfs/dbraw/zinc/86/45/09/564864509.db2.gz QNNMACWYPQGDOJ-SUMWQHHRSA-N 1 0 388.339 2.681 20 0 GFADRO Cc1cc(S(=O)(=O)N2CCCC[C@@H]2CC[NH3+])c(F)cc1Br ZINC000582845049 564864598 /nfs/dbraw/zinc/86/45/98/564864598.db2.gz BSPANMKVQMNXEH-LLVKDONJSA-N 1 0 379.295 2.789 20 0 GFADRO C[C@H](c1ncc(Br)cn1)N1C[C@H](C(N)=O)[C@@H](c2ccccc2)C1 ZINC000583010823 564871659 /nfs/dbraw/zinc/87/16/59/564871659.db2.gz CNMFENXXLHTLCG-DFBGVHRSSA-N 1 0 375.270 2.501 20 0 GFADRO O=S(=O)(c1c(Cl)cc(F)cc1Br)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000497619103 564872258 /nfs/dbraw/zinc/87/22/58/564872258.db2.gz WRHMNCDSDQNJKA-SNVBAGLBSA-N 1 0 397.697 2.757 20 0 GFADRO Cc1cc(NC(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c(F)cc1Br ZINC000497750525 564874513 /nfs/dbraw/zinc/87/45/13/564874513.db2.gz OHJCFGPYWIAJFB-NWDGAFQWSA-N 1 0 398.276 2.578 20 0 GFADRO CO[C@H]1CCN(C(=O)c2ccc(Br)cc2OC(C)C)[C@H](C[NH3+])C1 ZINC000583079388 564874875 /nfs/dbraw/zinc/87/48/75/564874875.db2.gz YVMOJLQYDXVUJX-KBPBESRZSA-N 1 0 385.302 2.815 20 0 GFADRO COCC[N@H+](C)CCNC(=O)N[C@H]1C[C@H](c2ccc(Br)cc2)C1 ZINC000463323908 564875569 /nfs/dbraw/zinc/87/55/69/564875569.db2.gz FYEXREFGRKHCEF-KOMQPUFPSA-N 1 0 384.318 2.573 20 0 GFADRO C[C@H]([NH2+]CCc1cnn(C)c1)c1ccc(Br)cc1OCCCO ZINC000463358024 564876522 /nfs/dbraw/zinc/87/65/22/564876522.db2.gz CLTNDEGWEQVCMA-ZDUSSCGKSA-N 1 0 382.302 2.837 20 0 GFADRO CC[N@H+](CC(=O)NCC(=O)Nc1ccccc1Br)CC(C)(C)C ZINC000463365336 564877076 /nfs/dbraw/zinc/87/70/76/564877076.db2.gz IXCMOKGMKCMUCP-UHFFFAOYSA-N 1 0 384.318 2.872 20 0 GFADRO C[C@H](NC(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1)c1cc(F)c(Cl)cc1Cl ZINC000583139578 564877533 /nfs/dbraw/zinc/87/75/33/564877533.db2.gz UPLZJHIHXFFWAS-UWVGGRQHSA-N 1 0 386.258 2.967 20 0 GFADRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)NCCCn1cc(Br)cn1 ZINC000497839051 564877592 /nfs/dbraw/zinc/87/75/92/564877592.db2.gz FRJJGBQNDZZYRH-OAHLLOKOSA-N 1 0 386.338 2.599 20 0 GFADRO CC[C@@H]([NH2+]CCNC(=O)c1ccc(Br)cc1)C1(C(=O)OC)CCC1 ZINC000497844320 564878278 /nfs/dbraw/zinc/87/82/78/564878278.db2.gz BBVLOJPQYBLMQS-OAHLLOKOSA-N 1 0 397.313 2.890 20 0 GFADRO OC[C@@H]([C@@H]([NH2+]C[C@@H](O)COc1cccc(Br)c1)C1CC1)C1CC1 ZINC000583185782 564879346 /nfs/dbraw/zinc/87/93/46/564879346.db2.gz LLZACCGZIRGETD-NXHRZFHOSA-N 1 0 384.314 2.576 20 0 GFADRO O=S(=O)(NCC[NH2+][C@@H]1CCCC[C@@H]1[C@H]1CCOC1)c1cccc(Cl)c1 ZINC000583178281 564879603 /nfs/dbraw/zinc/87/96/03/564879603.db2.gz HUVXTOIPKHYVMY-BMGDILEWSA-N 1 0 386.945 2.803 20 0 GFADRO CC[N@H+](C[C@@H](C)OC)[C@H](C)C(=O)Nc1ccc(I)cc1 ZINC000463419366 564880547 /nfs/dbraw/zinc/88/05/47/564880547.db2.gz VHOJVPAETQJERI-VXGBXAGGSA-N 1 0 390.265 2.975 20 0 GFADRO C[N@@H+]1CCC[C@@H]2CN(S(=O)(=O)Cc3cccc(Br)c3)CC[C@@H]21 ZINC000557845757 564881932 /nfs/dbraw/zinc/88/19/32/564881932.db2.gz WANIMCKVJHXOES-ZBFHGGJFSA-N 1 0 387.343 2.695 20 0 GFADRO CC(C)(C(=O)N[C@@H](CO)C[NH+]1CCCCC1)c1ccc(Br)cc1 ZINC000558025915 564888720 /nfs/dbraw/zinc/88/87/20/564888720.db2.gz OHEUIWHHXMKJEF-MRXNPFEDSA-N 1 0 383.330 2.690 20 0 GFADRO C[C@H](CNC(=O)N[C@@H]1CC[N@@H+](C2CC2)C1)Oc1ccccc1Br ZINC000530659891 564890858 /nfs/dbraw/zinc/89/08/58/564890858.db2.gz PUEXJSLSXHPAOB-CHWSQXEVSA-N 1 0 382.302 2.752 20 0 GFADRO C[C@@H](CC[NH+](C)C)NC(=O)[C@H](c1ccc(Cl)cc1Cl)N1CCOCC1 ZINC000463813486 564891098 /nfs/dbraw/zinc/89/10/98/564891098.db2.gz ASRJGFSNIWOHQB-GUYCJALGSA-N 1 0 388.339 2.823 20 0 GFADRO [NH3+]C[C@H]1c2ccccc2CCN1C(=O)NCc1ccc(O)c(Br)c1 ZINC000583439331 564891411 /nfs/dbraw/zinc/89/14/11/564891411.db2.gz LTSMQFOIVNNNNW-INIZCTEOSA-N 1 0 390.281 2.922 20 0 GFADRO CCOC(=O)[C@@H](Cc1cc(Cl)cc(Cl)c1)NC(=O)[C@@H]([NH3+])CC(F)F ZINC000498202268 564891853 /nfs/dbraw/zinc/89/18/53/564891853.db2.gz SWUWFIDUYZGADY-NWDGAFQWSA-N 1 0 383.222 2.566 20 0 GFADRO C[C@H]1C[C@@H](NC(=O)C(=O)NCCCc2ccc(Cl)cc2Cl)CC[N@@H+]1C ZINC000558207599 564895701 /nfs/dbraw/zinc/89/57/01/564895701.db2.gz LXQCQPSEEWUTNO-WFASDCNBSA-N 1 0 386.323 2.641 20 0 GFADRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+]Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000498362105 564896744 /nfs/dbraw/zinc/89/67/44/564896744.db2.gz DTWMUBLWLJYCOX-HZPDHXFCSA-N 1 0 377.286 2.639 20 0 GFADRO CC1(C)[C@H](O)C[C@H]1[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000583565306 564897926 /nfs/dbraw/zinc/89/79/26/564897926.db2.gz ZETNUXMFZLWOLW-LERXQTSPSA-N 1 0 378.694 2.591 20 0 GFADRO CSc1ccc(S(=O)(=O)N2C[C@H](SC)[C@@H]([NH+](C)C)C2)cc1Cl ZINC000464195394 564898468 /nfs/dbraw/zinc/89/84/68/564898468.db2.gz QCPCNAOCTBSVDC-JSGCOSHPSA-N 1 0 380.988 2.728 20 0 GFADRO CC[C@H](C(=O)NCC(=O)Nc1cc(Br)ccc1C)[NH+](CC)CC ZINC000531048682 564899609 /nfs/dbraw/zinc/89/96/09/564899609.db2.gz XRBBIQVJFOCYMH-OAHLLOKOSA-N 1 0 384.318 2.933 20 0 GFADRO CCc1nn(C)c(OC)c1C[NH2+]CCC(=O)Nc1cccc(Br)c1 ZINC000583626179 564899755 /nfs/dbraw/zinc/89/97/55/564899755.db2.gz HYTIJTCGAWTWQA-UHFFFAOYSA-N 1 0 395.301 2.872 20 0 GFADRO CC[C@@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1ccc(OCC(F)F)cc1 ZINC000583656793 564901343 /nfs/dbraw/zinc/90/13/43/564901343.db2.gz LPKVQRGPZSTBJI-CQSZACIVSA-N 1 0 376.469 2.873 20 0 GFADRO CC1(C[NH2+][C@@H]2CCCN(S(=O)(=O)c3ccc(Br)cc3)C2)CC1 ZINC000583669394 564901432 /nfs/dbraw/zinc/90/14/32/564901432.db2.gz VDFLYPMEFBRXBC-CQSZACIVSA-N 1 0 387.343 2.992 20 0 GFADRO O=C(NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)NC[C@@]1(O)CCSC1 ZINC000531107066 564901691 /nfs/dbraw/zinc/90/16/91/564901691.db2.gz XGHLLNYYFNJVNN-WMZOPIPTSA-N 1 0 383.945 2.644 20 0 GFADRO CSC1(CNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC[NH+](C)CC1 ZINC000558483186 564903272 /nfs/dbraw/zinc/90/32/72/564903272.db2.gz CTLOSAGASMRVER-UHFFFAOYSA-N 1 0 398.472 2.691 20 0 GFADRO C[C@H]1C[C@H](NC(=O)c2ccc(-n3cc(Br)cn3)cc2)C[N@@H+]1C1CC1 ZINC000531244106 564904706 /nfs/dbraw/zinc/90/47/06/564904706.db2.gz CFJRHWAUGMWVHS-WFASDCNBSA-N 1 0 389.297 2.990 20 0 GFADRO [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)NCCOc1cccc(Br)c1 ZINC000583741986 564905487 /nfs/dbraw/zinc/90/54/87/564905487.db2.gz UAAJWBHAGTYSLC-FFMGESDNSA-N 1 0 382.302 2.643 20 0 GFADRO C[C@H]1CC[N@H+](C)CCN1C(=O)[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000498705641 564905869 /nfs/dbraw/zinc/90/58/69/564905869.db2.gz ITLZVORXPISJFR-GXTWGEPZSA-N 1 0 384.307 2.899 20 0 GFADRO C[C@@H]1CC[N@H+](C)CCN1C(=O)CSc1nncn1-c1cccc(Cl)c1 ZINC000498706832 564906020 /nfs/dbraw/zinc/90/60/20/564906020.db2.gz LVNOPGHTWVKXQG-CYBMUJFWSA-N 1 0 379.917 2.565 20 0 GFADRO COc1ccc(Br)cc1C(=O)CCC(=O)N1CC[N@H+](C)CC[C@@H]1C ZINC000498737302 564906871 /nfs/dbraw/zinc/90/68/71/564906871.db2.gz NMYSOTJPTKCACV-ZDUSSCGKSA-N 1 0 397.313 2.973 20 0 GFADRO C[C@@H](C(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1)c1cnn(C)c1 ZINC000531413871 564909494 /nfs/dbraw/zinc/90/94/94/564909494.db2.gz IZHUKIHJOBLOHZ-CQSZACIVSA-N 1 0 393.329 2.877 20 0 GFADRO C[C@H](C1CC[NH+](C)CC1)N(C)S(=O)(=O)c1ccc(F)cc1Br ZINC000498879819 564911249 /nfs/dbraw/zinc/91/12/49/564911249.db2.gz HWFFAXFNIZYIBN-LLVKDONJSA-N 1 0 393.322 2.939 20 0 GFADRO O=C(Cn1cc(Br)cn1)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000498904685 564912146 /nfs/dbraw/zinc/91/21/46/564912146.db2.gz JPUPVVCZHUGPRM-QGZVFWFLSA-N 1 0 391.313 2.817 20 0 GFADRO COC(=O)c1cc(NC(=O)N2CC[N@H+](C)CC[C@H]2C)ccc1Br ZINC000498891428 564912165 /nfs/dbraw/zinc/91/21/65/564912165.db2.gz LOTANYZXMCZUPJ-LLVKDONJSA-N 1 0 384.274 2.794 20 0 GFADRO CC(C)[NH+]1CCN([C@H]2CCN(C(=O)c3csc(Br)c3)C2)CC1 ZINC000531583454 564914035 /nfs/dbraw/zinc/91/40/35/564914035.db2.gz ROXROIRDFFBVKX-AWEZNQCLSA-N 1 0 386.359 2.751 20 0 GFADRO C[C@@H]1CC[N@H+](C)CCN1C(=O)Nc1cc(Br)cnc1-n1cccn1 ZINC000498957692 564914537 /nfs/dbraw/zinc/91/45/37/564914537.db2.gz QOLDSAYLRNGAST-GFCCVEGCSA-N 1 0 393.289 2.588 20 0 GFADRO CC(C)[N@H+](C)C[C@@H](C)NS(=O)(=O)c1cc(Br)c(F)cc1F ZINC000583963987 564914700 /nfs/dbraw/zinc/91/47/00/564914700.db2.gz MMWDZDWMJNXCDR-SECBINFHSA-N 1 0 385.274 2.734 20 0 GFADRO CC(C)c1ccc(Cl)c(S(=O)(=O)NC[C@@H](O)C[NH+]2CCC(C)CC2)c1 ZINC000584008666 564916280 /nfs/dbraw/zinc/91/62/80/564916280.db2.gz AVEDQXNWOQLDMT-MRXNPFEDSA-N 1 0 388.961 2.835 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)C(=O)NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000531669191 564917166 /nfs/dbraw/zinc/91/71/66/564917166.db2.gz QXDAIEMRAIXAQY-ZDUSSCGKSA-N 1 0 396.329 2.797 20 0 GFADRO CC[C@H](CO)[NH+]1CCN(CCOc2ccc(Cl)cc2Br)CC1 ZINC000464765303 564917473 /nfs/dbraw/zinc/91/74/73/564917473.db2.gz KXRCIUOOODGKSI-CQSZACIVSA-N 1 0 391.737 2.870 20 0 GFADRO NC(=O)CC[C@@H]1CCC[N@H+](CC(=O)NCCc2cccc(Cl)c2Cl)C1 ZINC000531898466 564923962 /nfs/dbraw/zinc/92/39/62/564923962.db2.gz FFVMIBNDTGGDEB-ZDUSSCGKSA-N 1 0 386.323 2.630 20 0 GFADRO COc1cccc2c1CC[C@H]2[NH2+]CCNS(=O)(=O)c1cccc(Cl)c1 ZINC000531952087 564925351 /nfs/dbraw/zinc/92/53/51/564925351.db2.gz JPSSLILQXUDKSS-QGZVFWFLSA-N 1 0 380.897 2.904 20 0 GFADRO C[C@@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)Cn1cc(Br)cn1 ZINC000499436176 564927129 /nfs/dbraw/zinc/92/71/29/564927129.db2.gz BDKSTDZTPXQKGF-LSDHHAIUSA-N 1 0 391.313 2.767 20 0 GFADRO COC[C@@H]1CCC[N@H+](Cc2cc(=O)n3cc(Br)ccc3n2)CC1 ZINC000584273364 564928883 /nfs/dbraw/zinc/92/88/83/564928883.db2.gz OXOZFMKFLDAURK-CYBMUJFWSA-N 1 0 380.286 2.706 20 0 GFADRO C[C@@H](CNC(=O)NCCc1cccc(Cl)c1Cl)C[NH+]1CCN(C)CC1 ZINC000465640620 564930652 /nfs/dbraw/zinc/93/06/52/564930652.db2.gz RMIZKDZKEUQTAB-AWEZNQCLSA-N 1 0 387.355 2.719 20 0 GFADRO O=C(NCc1ccc(Cl)cc1Cl)C(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000559344263 564930818 /nfs/dbraw/zinc/93/08/18/564930818.db2.gz GRDOPYQUIPJPAO-HNNXBMFYSA-N 1 0 384.307 2.696 20 0 GFADRO C[C@@H](NC(=O)C(=O)N[C@@H](C)CC[NH+](C)C)c1cc(F)c(Cl)cc1Cl ZINC000559403443 564932013 /nfs/dbraw/zinc/93/20/13/564932013.db2.gz DGHBRUJRYOALMC-VHSXEESVSA-N 1 0 378.275 2.766 20 0 GFADRO C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](O)COc1ccc(I)cc1 ZINC000532296529 564933934 /nfs/dbraw/zinc/93/39/34/564933934.db2.gz QZNXFGOYCHOHIR-KYOSRNDESA-N 1 0 375.250 2.809 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)NC[C@H](O)COc2cccc(Cl)c2Cl)CC[N@@H+]1C ZINC000466032798 564934981 /nfs/dbraw/zinc/93/49/81/564934981.db2.gz BDPPZIGWZQDGPF-AGIUHOORSA-N 1 0 390.311 2.515 20 0 GFADRO COCCC[N@H+](C)CCNC(=O)N[C@@H]1COc2c1ccc(Cl)c2Cl ZINC000466079599 564935503 /nfs/dbraw/zinc/93/55/03/564935503.db2.gz XGTYWERVSKMUSD-CYBMUJFWSA-N 1 0 376.284 2.694 20 0 GFADRO C[C@H]1CN(C)C[C@H]1[NH2+]CC(C)(C)S(=O)(=O)c1ccc(Br)cc1 ZINC000532353010 564935585 /nfs/dbraw/zinc/93/55/85/564935585.db2.gz BXHKAPSWZCSZTO-SWLSCSKDSA-N 1 0 389.359 2.541 20 0 GFADRO COc1cc(C(=O)N2CC[C@H]([NH+]3CCCC3)C2)cc(Br)c1OC ZINC000559563486 564936132 /nfs/dbraw/zinc/93/61/32/564936132.db2.gz OFVRPWKCQZJDBU-ZDUSSCGKSA-N 1 0 383.286 2.777 20 0 GFADRO C[C@H](CNC(=O)N1CC[N@H+](C)CC[C@@H]1C)Oc1cccc(Br)c1 ZINC000466304937 564937652 /nfs/dbraw/zinc/93/76/52/564937652.db2.gz DWWXXULXENILBU-UONOGXRCSA-N 1 0 384.318 2.952 20 0 GFADRO COc1c[nH+]ccc1N1CCN(C(=O)Nc2cc(Br)ccn2)CC1 ZINC000499844923 564938040 /nfs/dbraw/zinc/93/80/40/564938040.db2.gz HCANLZGEBZNHDL-UHFFFAOYSA-N 1 0 392.257 2.602 20 0 GFADRO C[C@H](CNC(=O)N1CC[NH+](CC2CC2)CC1)Oc1ccc(Br)cc1 ZINC000466371188 564939196 /nfs/dbraw/zinc/93/91/96/564939196.db2.gz WOMSTBNBAYKWQJ-CQSZACIVSA-N 1 0 396.329 2.954 20 0 GFADRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)NCc1c(Cl)cccc1Cl ZINC000559799127 564940330 /nfs/dbraw/zinc/94/03/30/564940330.db2.gz XRKFDILURLNJSP-HNNXBMFYSA-N 1 0 386.323 2.846 20 0 GFADRO Oc1ccc(Br)c(CNC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000532724585 564943442 /nfs/dbraw/zinc/94/34/42/564943442.db2.gz OESXFSTWJCOQJB-IBGZPJMESA-N 1 0 391.309 2.881 20 0 GFADRO CN(C)c1ccc(CNC(=O)c2cccc(F)c2I)cn1 ZINC000532755774 564943895 /nfs/dbraw/zinc/94/38/95/564943895.db2.gz VNMPLAQXMZPEAL-UHFFFAOYSA-N 1 0 399.207 2.821 20 0 GFADRO CC[N@@H+]1CCCN(C(=O)c2cccc(F)c2I)CC1 ZINC000532753013 564944419 /nfs/dbraw/zinc/94/44/19/564944419.db2.gz ZVYVGUJKUBCRJZ-UHFFFAOYSA-N 1 0 376.213 2.598 20 0 GFADRO C[C@@H]1CC[N@H+](C)CCN1C(=O)c1cccc(F)c1I ZINC000532755928 564944426 /nfs/dbraw/zinc/94/44/26/564944426.db2.gz JACIRZUYABMDQU-SNVBAGLBSA-N 1 0 376.213 2.597 20 0 GFADRO Cc1nc(S(=O)(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)sc1C ZINC000532932535 564950257 /nfs/dbraw/zinc/95/02/57/564950257.db2.gz XGGARCILZXMKIA-KRWDZBQOSA-N 1 0 379.551 2.603 20 0 GFADRO CC[C@@H]1CCC[N@@H+]1CCC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1Cl ZINC000532965290 564950571 /nfs/dbraw/zinc/95/05/71/564950571.db2.gz IVYDKBUDVSSVBO-CYBMUJFWSA-N 1 0 387.933 2.793 20 0 GFADRO COC1CCC([N@H+](C)Cc2cc(=O)n3cc(Br)ccc3n2)CC1 ZINC000532977268 564951290 /nfs/dbraw/zinc/95/12/90/564951290.db2.gz WEVODZNKJROEQL-UHFFFAOYSA-N 1 0 380.286 2.846 20 0 GFADRO C[C@H]1C[C@H]1[N@@H+]1CCN(C(=O)C(=O)Nc2ccccc2Br)C[C@@H](C)C1 ZINC000560146274 564951442 /nfs/dbraw/zinc/95/14/42/564951442.db2.gz SBWQSJJIWYZQRB-HEHGZKQESA-N 1 0 394.313 2.576 20 0 GFADRO C[C@@H]1C[C@H]1[N@@H+]1CCN(C(=O)C(=O)Nc2ccccc2Br)C[C@@H](C)C1 ZINC000560146277 564951742 /nfs/dbraw/zinc/95/17/42/564951742.db2.gz SBWQSJJIWYZQRB-WOSRLPQWSA-N 1 0 394.313 2.576 20 0 GFADRO Cc1cnc(N2CC[NH+](CCC(=O)NCc3ccccc3Cl)CC2)s1 ZINC000533058614 564952398 /nfs/dbraw/zinc/95/23/98/564952398.db2.gz PJBWKDLZCHBQOW-UHFFFAOYSA-N 1 0 378.929 2.933 20 0 GFADRO CS(=O)(=O)NC[C@H]1CCC[C@H]1[NH2+]Cc1ccc(Br)cc1Cl ZINC000500459308 564954390 /nfs/dbraw/zinc/95/43/90/564954390.db2.gz HHOQRTDQLVLSBW-BXUZGUMPSA-N 1 0 395.750 2.910 20 0 GFADRO CS(=O)(=O)NC[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(OC(F)F)c(Cl)c1 ZINC000500506608 564955752 /nfs/dbraw/zinc/95/57/52/564955752.db2.gz DZVPPQFRYZMLBK-YPMHNXCESA-N 1 0 382.860 2.749 20 0 GFADRO CC[N@H+](CCc1nccs1)Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000533142950 564956372 /nfs/dbraw/zinc/95/63/72/564956372.db2.gz FYGGJKCFQVQEEA-UHFFFAOYSA-N 1 0 393.310 2.978 20 0 GFADRO O=C(N[C@H]1CC[N@@H+](C2CC2)C1)c1cc(Br)cnc1OCC1CC1 ZINC000560444209 564961551 /nfs/dbraw/zinc/96/15/51/564961551.db2.gz ROSWXSKUUPYEHU-ZDUSSCGKSA-N 1 0 380.286 2.599 20 0 GFADRO Cc1ncc([C@H](C)[NH2+]CCCNS(=O)(=O)c2ccccc2Cl)c(C)n1 ZINC000467415862 564962790 /nfs/dbraw/zinc/96/27/90/564962790.db2.gz FKKFQXBQIHIGQG-LBPRGKRZSA-N 1 0 382.917 2.766 20 0 GFADRO C[C@H](Cn1cc(Br)cn1)[NH2+][C@@H]1CC(=O)N(Cc2ccccc2)[C@H]1C ZINC000467435403 564963629 /nfs/dbraw/zinc/96/36/29/564963629.db2.gz SHBWYPXVBUXXBC-JKIFEVAISA-N 1 0 391.313 2.813 20 0 GFADRO CCOc1cc(Br)c(CC(=O)NCC[NH+]2CCC2)cc1OCC ZINC000500872183 564964513 /nfs/dbraw/zinc/96/45/13/564964513.db2.gz MPUBQCVFRLZZPX-UHFFFAOYSA-N 1 0 385.302 2.611 20 0 GFADRO Cc1nccc(C[NH2+]C[C@@H](O)COc2ccc(Cl)cc2Br)n1 ZINC000560509945 564966358 /nfs/dbraw/zinc/96/63/58/564966358.db2.gz OTLMXSQXWKHPPN-CYBMUJFWSA-N 1 0 386.677 2.730 20 0 GFADRO CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+][C@@H](CO)c2ccc(Br)c(F)c2)C1 ZINC000560533451 564966510 /nfs/dbraw/zinc/96/65/10/564966510.db2.gz IVCXFJHYWPUUET-ZOWXZIJZSA-N 1 0 394.306 2.567 20 0 GFADRO O=C(COc1cc(Cl)c(Cl)cc1Cl)NC[C@@]1(O)C[NH+]2CCC1CC2 ZINC000560507545 564966524 /nfs/dbraw/zinc/96/65/24/564966524.db2.gz YNYRBPOZUJTTKB-MRXNPFEDSA-N 1 0 393.698 2.599 20 0 GFADRO C[C@H]([NH2+]CCN1CCO[C@@H](C)C1)c1cc2c(cc1Br)OCCO2 ZINC000501004991 564967558 /nfs/dbraw/zinc/96/75/58/564967558.db2.gz CKTDDHSYUQRVDE-STQMWFEESA-N 1 0 385.302 2.592 20 0 GFADRO CCOc1c(Cl)cc(NC(=O)C(=O)NC[C@H](C2CC2)[NH+](C)C)cc1Cl ZINC000467627504 564968653 /nfs/dbraw/zinc/96/86/53/564968653.db2.gz DNBNCPMOTYSOOG-CQSZACIVSA-N 1 0 388.295 2.787 20 0 GFADRO CCC[N@H+](C)CC(=O)N[C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000467691677 564970134 /nfs/dbraw/zinc/97/01/34/564970134.db2.gz DAUOBWKQVQTMJE-GFCCVEGCSA-N 1 0 378.826 2.791 20 0 GFADRO C[NH+](C)CC1CCN(S(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)CC1 ZINC000501157848 564973337 /nfs/dbraw/zinc/97/33/37/564973337.db2.gz MCJGISOBJJSQOR-UHFFFAOYSA-N 1 0 382.860 2.904 20 0 GFADRO O=C([C@H]1C[N@@H+]2CCN1CCC2)N1CCC(c2cccc(Br)c2)CC1 ZINC000467850997 564974063 /nfs/dbraw/zinc/97/40/63/564974063.db2.gz LGSVBYOYMAUYFW-GOSISDBHSA-N 1 0 392.341 2.545 20 0 GFADRO C[NH+]1CCN(c2ccc(Br)cc2NC(=O)[C@@H]2CCSC2)CC1 ZINC000501249613 564974438 /nfs/dbraw/zinc/97/44/38/564974438.db2.gz TTXQEDLCTSCMQX-GFCCVEGCSA-N 1 0 384.343 2.893 20 0 GFADRO CC[C@]1(C)CC[N@H+](CC(=O)Nc2ccc(Cl)c(S(=O)(=O)N(C)C)c2)C1 ZINC000468135897 564978482 /nfs/dbraw/zinc/97/84/82/564978482.db2.gz IDGPDAJEUZJWHP-QGZVFWFLSA-N 1 0 387.933 2.651 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1CCC(=O)NCC(=O)Nc1ccc(Br)cc1 ZINC000561047796 564982660 /nfs/dbraw/zinc/98/26/60/564982660.db2.gz OAAFNHGHIOXHPV-CYBMUJFWSA-N 1 0 382.302 2.768 20 0 GFADRO C[N@H+](CC(=O)N[C@H]1COc2cc(F)c(Br)cc21)[C@H]1CCSC1 ZINC000501676083 564984427 /nfs/dbraw/zinc/98/44/27/564984427.db2.gz CLYTTYWZAXFOGB-ZANVPECISA-N 1 0 389.290 2.575 20 0 GFADRO CC[C@H](NC(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C)[C@H](O)C(F)(F)F ZINC000534292562 564984565 /nfs/dbraw/zinc/98/45/65/564984565.db2.gz YNWSRZXXFRCAMV-MJBXVCDLSA-N 1 0 381.826 2.944 20 0 GFADRO O=C1C[C@H]([C@H]2CCCC[N@H+]2C[C@H](O)COc2c(Cl)cccc2Cl)CN1 ZINC000534279413 564984668 /nfs/dbraw/zinc/98/46/68/564984668.db2.gz TYXVTDDMRWSWCQ-HEHGZKQESA-N 1 0 387.307 2.724 20 0 GFADRO COC(=O)CN1CCC([NH2+][C@H](C)[C@@H](OC)c2ccc(Br)cc2)CC1 ZINC000468510674 564985040 /nfs/dbraw/zinc/98/50/40/564985040.db2.gz NJDUFVGSBDPDNM-FZKQIMNGSA-N 1 0 399.329 2.752 20 0 GFADRO CC[NH+](CC)CCO[C@H]1CCN(S(=O)(=O)Cc2ccc(F)c(Cl)c2)C1 ZINC000534404317 564987923 /nfs/dbraw/zinc/98/79/23/564987923.db2.gz CDNKDDCLTCPZTD-HNNXBMFYSA-N 1 0 392.924 2.742 20 0 GFADRO Cc1csc(C[NH2+]CCCN(C2CC2)S(=O)(=O)c2cccc(F)c2)n1 ZINC000534515676 564990612 /nfs/dbraw/zinc/99/06/12/564990612.db2.gz KVPSQCRVMZRKGX-UHFFFAOYSA-N 1 0 383.514 2.924 20 0 GFADRO C[C@H](C[NH+]1CCOCC1)C(=O)NCC1(c2ccccc2Br)CC1 ZINC000502056675 564991172 /nfs/dbraw/zinc/99/11/72/564991172.db2.gz XVOPKEJHVPIOSU-CQSZACIVSA-N 1 0 381.314 2.565 20 0 GFADRO C[C@H](NC(=O)C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C)c1cccc(Cl)c1Cl ZINC000502299261 564995645 /nfs/dbraw/zinc/99/56/45/564995645.db2.gz WLUJGUKWXQIJKE-PGUXBMHVSA-N 1 0 384.307 2.770 20 0 GFADRO COc1ccc([C@@H](C)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)c(Br)c1 ZINC000561469135 564995901 /nfs/dbraw/zinc/99/59/01/564995901.db2.gz ZYLNCESDWAWEKJ-ZIAGYGMSSA-N 1 0 398.345 2.696 20 0 GFADRO C[C@H]1C[C@H](N(C)S(=O)(=O)Cc2ccccc2Br)CC[N@@H+]1C ZINC000561518728 564998773 /nfs/dbraw/zinc/99/87/73/564998773.db2.gz BGDALRWTKTVFJT-GXTWGEPZSA-N 1 0 375.332 2.693 20 0 GFADRO Cc1c(Cl)cc(F)c(NC(=O)C(=O)NC[C@H](CC(C)C)[NH+](C)C)c1F ZINC000534892563 564998809 /nfs/dbraw/zinc/99/88/09/564998809.db2.gz PUODXGDHFOUROT-NSHDSACASA-N 1 0 375.847 2.958 20 0 GFADRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1S(=O)(=O)Cc1cccc(Br)c1 ZINC000561551043 565001112 /nfs/dbraw/zinc/00/11/12/565001112.db2.gz LZTDKLDYIOGAQB-BBRMVZONSA-N 1 0 387.343 2.838 20 0 GFADRO O=C1[C@@H]([NH2+][C@@]2(Cc3ccc(Cl)cc3)CCOC2)CCN1CC(F)(F)F ZINC000502534982 565001376 /nfs/dbraw/zinc/00/13/76/565001376.db2.gz FGIXFWRRHNLBSO-GOEBONIOSA-N 1 0 376.806 2.794 20 0 GFADRO CC[N@@H+]1C[C@@H](C)N(C(=O)c2cccc(F)c2I)C[C@@H]1C ZINC000535028686 565003228 /nfs/dbraw/zinc/00/32/28/565003228.db2.gz HBNSAEZPSFUJSI-WDEREUQCSA-N 1 0 390.240 2.985 20 0 GFADRO CCC[NH+]1CCC(CNS(=O)(=O)c2ccccc2OC(F)(F)F)CC1 ZINC000502692671 565003721 /nfs/dbraw/zinc/00/37/21/565003721.db2.gz FCXYDMCXAAAOOI-UHFFFAOYSA-N 1 0 380.432 2.986 20 0 GFADRO CS(=O)(=O)[C@@H]1CCC[N@H+](C[C@H](O)Cc2ccccc2C(F)(F)F)CC1 ZINC000502825915 565006097 /nfs/dbraw/zinc/00/60/97/565006097.db2.gz KJJNHTZOUIUODD-HUUCEWRRSA-N 1 0 379.444 2.508 20 0 GFADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)c1c(F)ccc(Br)c1F ZINC000469131026 565006862 /nfs/dbraw/zinc/00/68/62/565006862.db2.gz XGYNWCUAGOOJES-JTQLQIEISA-N 1 0 377.229 2.568 20 0 GFADRO CC[NH+](CC)CCN(CCOC)C(=O)[C@H]1COc2ccc(Br)cc21 ZINC000535390878 565012079 /nfs/dbraw/zinc/01/20/79/565012079.db2.gz DXEQNGWOPFXRIG-INIZCTEOSA-N 1 0 399.329 2.742 20 0 GFADRO CCc1n[nH]c(C(=O)NCc2ccc(C[NH+](C)C)c(F)c2)c1Br ZINC000469331611 565014011 /nfs/dbraw/zinc/01/40/11/565014011.db2.gz XDRLOTFTTYCAMJ-UHFFFAOYSA-N 1 0 383.265 2.865 20 0 GFADRO Cc1cccc(CNC(=O)NC[C@@H](O)C[NH+]2CCC(C)CC2)c1Br ZINC000469340422 565014221 /nfs/dbraw/zinc/01/42/21/565014221.db2.gz QVTJEUREYUPBPT-MRXNPFEDSA-N 1 0 398.345 2.650 20 0 GFADRO CS[C@H]1CN(C(=O)C2(c3cccc(Br)c3)CC2)C[C@@H]1[NH+](C)C ZINC000535543715 565015477 /nfs/dbraw/zinc/01/54/77/565015477.db2.gz XKQGJNMDGHZWIN-GJZGRUSLSA-N 1 0 383.355 2.985 20 0 GFADRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CC(=O)Nc2ccc(Br)cc21 ZINC000469412519 565017470 /nfs/dbraw/zinc/01/74/70/565017470.db2.gz TZIWCVSEGTZXBZ-HIFRSBDPSA-N 1 0 394.313 2.866 20 0 GFADRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)c1cc(Br)cc2nc[nH]c21 ZINC000503326304 565017708 /nfs/dbraw/zinc/01/77/08/565017708.db2.gz YJEGKNQIVALAKM-ZDUSSCGKSA-N 1 0 395.301 2.508 20 0 GFADRO CCS(=O)(=O)NCCC[NH+]1CCC(c2ccc(Br)cc2)CC1 ZINC000503376694 565018565 /nfs/dbraw/zinc/01/85/65/565018565.db2.gz OKOOVUTZJDARIN-UHFFFAOYSA-N 1 0 389.359 2.958 20 0 GFADRO C[NH+](C)[C@@]1(CNC(=O)c2ccc(Br)c3c2OCCC3)CCSC1 ZINC000469536854 565020016 /nfs/dbraw/zinc/02/00/16/565020016.db2.gz CNOPOIGKPJNDDH-QGZVFWFLSA-N 1 0 399.354 2.941 20 0 GFADRO CCC[N@H+](CC)C[C@H](C)NC(=O)N[C@@H](CO)c1cccc(Br)c1 ZINC000562254690 565022273 /nfs/dbraw/zinc/02/22/73/565022273.db2.gz XJIWCJIHCWYSAJ-BBRMVZONSA-N 1 0 386.334 2.902 20 0 GFADRO C[N@@H+]1CC[C@H](NC(=O)c2cc[nH]c(=O)c2Br)[C@H]1c1ccccc1 ZINC000469687198 565023648 /nfs/dbraw/zinc/02/36/48/565023648.db2.gz HYVKDTSEBKWVCE-DZGCQCFKSA-N 1 0 376.254 2.725 20 0 GFADRO C[C@H](CNC(=O)c1cncc(I)c1)[N@@H+]1CCCC[C@@H]1C ZINC000535999347 565026196 /nfs/dbraw/zinc/02/61/96/565026196.db2.gz SZXSXCJHBJVQIO-NWDGAFQWSA-N 1 0 387.265 2.679 20 0 GFADRO O=S(=O)(c1cccc(Cl)c1F)N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000469797673 565027065 /nfs/dbraw/zinc/02/70/65/565027065.db2.gz BZSMSDKBPXUXIA-AWEZNQCLSA-N 1 0 390.908 2.745 20 0 GFADRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)c1cc(Br)c(F)cc1F ZINC000469818660 565028664 /nfs/dbraw/zinc/02/86/64/565028664.db2.gz GNRJZKVIUNKPLF-JTQLQIEISA-N 1 0 391.256 2.645 20 0 GFADRO C[C@@H](C(=O)Nc1ccc(Br)cc1)[N@@H+]1CC[C@@H](c2nccn2C)C1 ZINC000536067433 565028825 /nfs/dbraw/zinc/02/88/25/565028825.db2.gz QGMGZRJFBUXSPY-QWHCGFSZSA-N 1 0 377.286 2.999 20 0 GFADRO CC[NH+]1CCC(CNC(=O)Cc2ccccc2I)CC1 ZINC000562439294 565029725 /nfs/dbraw/zinc/02/97/25/565029725.db2.gz QLBLLLQWIAFWHW-UHFFFAOYSA-N 1 0 386.277 2.682 20 0 GFADRO O=C1CC[C@@H](C[NH2+]C2(c3cccc(Br)c3)CCOCC2)CCN1 ZINC000562532558 565031921 /nfs/dbraw/zinc/03/19/21/565031921.db2.gz YSFDTEGIPRSXLZ-CQSZACIVSA-N 1 0 381.314 2.961 20 0 GFADRO Ic1ccc(N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)nc1 ZINC000562529854 565032466 /nfs/dbraw/zinc/03/24/66/565032466.db2.gz WONVFCUJBYWRDJ-UONOGXRCSA-N 1 0 387.265 2.742 20 0 GFADRO Nc1c(Br)cc(Br)cc1CN1C[C@@H]2CCC[NH2+][C@@H]2C1 ZINC000469952315 565032557 /nfs/dbraw/zinc/03/25/57/565032557.db2.gz GKVRTMUBGNJMBN-TVQRCGJNSA-N 1 0 389.135 2.978 20 0 GFADRO CC[C@H](CO)[NH+]1CCN(C(=O)CCOc2cccc(Cl)c2Cl)CC1 ZINC000536229172 565033099 /nfs/dbraw/zinc/03/30/99/565033099.db2.gz XAOZGDAPULYYAF-CYBMUJFWSA-N 1 0 375.296 2.677 20 0 GFADRO COCC[C@@H](C)[NH+]1CCN(C(=O)COc2ccc(Cl)cc2Cl)CC1 ZINC000470000787 565034637 /nfs/dbraw/zinc/03/46/37/565034637.db2.gz STHOXEMPRHEISK-CYBMUJFWSA-N 1 0 375.296 2.941 20 0 GFADRO C[C@H](Oc1cc(Cl)cc(Cl)c1)C(=O)N1CCC[N@@H+]([C@@H](C)CO)CC1 ZINC000470058315 565036244 /nfs/dbraw/zinc/03/62/44/565036244.db2.gz AECAKNYDBTVVTC-STQMWFEESA-N 1 0 375.296 2.676 20 0 GFADRO O=C(COc1ccc(Cl)cc1Cl)N1CC[NH+](CC[C@H]2CCOC2)CC1 ZINC000470152626 565038691 /nfs/dbraw/zinc/03/86/91/565038691.db2.gz SSQZLTUFTSPPDI-AWEZNQCLSA-N 1 0 387.307 2.943 20 0 GFADRO C[C@H](Cc1ccc(Br)cc1)[NH2+][C@@H]1CCC[C@H]1CNS(C)(=O)=O ZINC000504560587 565041321 /nfs/dbraw/zinc/04/13/21/565041321.db2.gz ICNNZCMGCRWYCP-IVMMDQJWSA-N 1 0 389.359 2.688 20 0 GFADRO C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)Nc1ccc(Br)c(C2CC2)n1 ZINC000562763673 565042277 /nfs/dbraw/zinc/04/22/77/565042277.db2.gz MPUBTDSZMYHHQC-BXKDBHETSA-N 1 0 383.290 2.956 20 0 GFADRO C[N@H+](CCNC(=O)N[C@H](CO)c1ccc(Br)cc1)C1CCCC1 ZINC000504673286 565042921 /nfs/dbraw/zinc/04/29/21/565042921.db2.gz LCJVVSYKMXVJDK-MRXNPFEDSA-N 1 0 384.318 2.656 20 0 GFADRO O=C(N[C@H]1C[NH2+]CCC1(F)F)NC1(Cc2ccccc2Br)CC1 ZINC000562819765 565044011 /nfs/dbraw/zinc/04/40/11/565044011.db2.gz LICIMFNRGOTJOQ-ZDUSSCGKSA-N 1 0 388.256 2.821 20 0 GFADRO C[C@@H]1CN(C(=O)N2CCO[C@@H](c3cccc(Br)c3)C2)C[C@@]1(C)C[NH3+] ZINC000562821923 565044667 /nfs/dbraw/zinc/04/46/67/565044667.db2.gz FWHNTUJAXXVJEJ-MZMPZRCHSA-N 1 0 396.329 2.859 20 0 GFADRO C[C@@H]([NH2+]C1CCC(S(C)(=O)=O)CC1)c1ccc(-n2cncn2)cc1Cl ZINC000536866935 565048318 /nfs/dbraw/zinc/04/83/18/565048318.db2.gz BQQAVSIIGBSIEA-DNOWBOINSA-N 1 0 382.917 2.927 20 0 GFADRO C[C@H](Sc1ccccc1Cl)C(=O)N1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000562963727 565049455 /nfs/dbraw/zinc/04/94/55/565049455.db2.gz CHGFCOSSUYBUGQ-GXTWGEPZSA-N 1 0 379.917 2.735 20 0 GFADRO [NH3+][C@@H]1CCc2ncc(NC(=O)COc3ccccc3Br)cc2C1 ZINC000562977472 565050651 /nfs/dbraw/zinc/05/06/51/565050651.db2.gz XLQOAOKUFFSEQQ-GFCCVEGCSA-N 1 0 376.254 2.678 20 0 GFADRO COc1ncc(C(=O)N[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)cc1Br ZINC000563009100 565051855 /nfs/dbraw/zinc/05/18/55/565051855.db2.gz BOTSZTQWGJOMQE-GOEBONIOSA-N 1 0 390.281 2.680 20 0 GFADRO CCS(=O)(=O)C[C@@H](C)[NH2+]CC1(c2cc(Cl)ccc2OC)CCOCC1 ZINC000537106088 565052647 /nfs/dbraw/zinc/05/26/47/565052647.db2.gz ORURODFMTZQGNR-CQSZACIVSA-N 1 0 389.945 2.810 20 0 GFADRO CC[NH2+]CCCNC(=O)[C@H](C)SCc1nc2sc(C)c(C)c2c(=O)[nH]1 ZINC000563106155 565056070 /nfs/dbraw/zinc/05/60/70/565056070.db2.gz YPCBXKRODCZHKS-LBPRGKRZSA-N 1 0 382.555 2.751 20 0 GFADRO CS[C@@H]1CN([C@@H](C)C(=O)Nc2nc3ccc(F)cc3s2)C[C@@H]1[NH+](C)C ZINC000537291297 565056723 /nfs/dbraw/zinc/05/67/23/565056723.db2.gz WUDOLQVHVNVCMF-VZJVUDMVSA-N 1 0 382.530 2.740 20 0 GFADRO CS[C@@H]1CN([C@@H](C)C(=O)Nc2nc3ccc(F)cc3s2)C[C@H]1[NH+](C)C ZINC000537291291 565056859 /nfs/dbraw/zinc/05/68/59/565056859.db2.gz WUDOLQVHVNVCMF-PSOPSSQASA-N 1 0 382.530 2.740 20 0 GFADRO Cc1ccc(S(=O)(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c(Br)c1 ZINC000563129627 565057066 /nfs/dbraw/zinc/05/70/66/565057066.db2.gz GJNWJULVGHXGOI-KGLIPLIRSA-N 1 0 387.343 2.768 20 0 GFADRO CC(C)C[C@H](N[C@H](C)c1ncc(Br)s1)C(=O)NCC[NH+](C)C ZINC000537443792 565058635 /nfs/dbraw/zinc/05/86/35/565058635.db2.gz DDGOUMKCIOYUHF-NEPJUHHUSA-N 1 0 391.379 2.649 20 0 GFADRO C[NH+](C)CCN(CC(=O)OC(C)(C)C)C(=O)c1ccc(F)c(Cl)c1F ZINC000537583686 565060066 /nfs/dbraw/zinc/06/00/66/565060066.db2.gz HYJQLJKTVMVNRK-UHFFFAOYSA-N 1 0 376.831 2.964 20 0 GFADRO CC(C)[N@@H+]1CC[C@H](CNC(=O)N[C@@H](CO)c2cccc(Br)c2)C1 ZINC000537608233 565060342 /nfs/dbraw/zinc/06/03/42/565060342.db2.gz AGPBTIVRQJXYNO-CJNGLKHVSA-N 1 0 384.318 2.512 20 0 GFADRO O=C1C[C@@]2(CN1)CCC[N@@H+](CC1=Cc3cc(Br)ccc3OC1)C2 ZINC000537635462 565060420 /nfs/dbraw/zinc/06/04/20/565060420.db2.gz WDNDAFWEMLLGGL-GOSISDBHSA-N 1 0 377.282 2.827 20 0 GFADRO CS[C@@H]1CN(C(=O)c2cnn(C(C)(C)C)c2C(F)(F)F)C[C@@H]1[NH+](C)C ZINC000537923896 565064455 /nfs/dbraw/zinc/06/44/55/565064455.db2.gz BGDZZKIBWGKXOV-NWDGAFQWSA-N 1 0 378.464 2.775 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)c1cc(Br)cnc1OCC1CC1 ZINC000613666579 565077042 /nfs/dbraw/zinc/07/70/42/565077042.db2.gz UFVMBCGJGDITRR-HUUCEWRRSA-N 1 0 382.302 2.845 20 0 GFADRO COc1ccc(CN2CCN(CC[NH+]3CCCC3)CC2)c(Br)c1 ZINC000584377491 565078121 /nfs/dbraw/zinc/07/81/21/565078121.db2.gz RJHANFJTAOWSJV-UHFFFAOYSA-N 1 0 382.346 2.671 20 0 GFADRO O=S(=O)(N[C@H]1CC[N@@H+](C2CCCCC2)C1)c1ccc(Br)cn1 ZINC000657161693 565080943 /nfs/dbraw/zinc/08/09/43/565080943.db2.gz QBHAEJZPHWMTQH-ZDUSSCGKSA-N 1 0 388.331 2.529 20 0 GFADRO O=C(Cn1cc(Br)ccc1=O)Nc1ccccc1Nc1cc[nH+]cc1 ZINC000684850923 565085246 /nfs/dbraw/zinc/08/52/46/565085246.db2.gz VFRZSWMDKJGQGY-UHFFFAOYSA-N 1 0 399.248 2.810 20 0 GFADRO CSc1ccc([C@@H](CNC(=O)CNC(=O)c2ccsc2)[NH+](C)C)cc1 ZINC000584522130 565085801 /nfs/dbraw/zinc/08/58/01/565085801.db2.gz UGWBLOBBCBJJAN-MRXNPFEDSA-N 1 0 377.535 2.619 20 0 GFADRO O=C(C[C@@H]1Sc2ccc(Cl)cc2NC1=O)N[C@H]1C[C@@H]([NH+]2CCCC2)C1 ZINC000636092978 565090465 /nfs/dbraw/zinc/09/04/65/565090465.db2.gz QVYUKNYWXKIUOC-ZENOOKHLSA-N 1 0 379.913 2.886 20 0 GFADRO C[NH+](C)[C@H]1CCCN(C(=O)c2cc(Br)cc3c2OCCO3)CC1 ZINC000614012209 565090652 /nfs/dbraw/zinc/09/06/52/565090652.db2.gz WYRDWHCNBITDSH-ZDUSSCGKSA-N 1 0 383.286 2.777 20 0 GFADRO C[N@@H+]1CCCN(CCCNC(=O)C(C)(C)c2ccccc2Br)CC1 ZINC000684969349 565091158 /nfs/dbraw/zinc/09/11/58/565091158.db2.gz GWERBJWMPPGBPW-UHFFFAOYSA-N 1 0 396.373 2.871 20 0 GFADRO O=C(C[C@@H]1CCCS1(=O)=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000636122091 565091740 /nfs/dbraw/zinc/09/17/40/565091740.db2.gz BTBZPWBANYEUQC-KRWDZBQOSA-N 1 0 382.551 2.780 20 0 GFADRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2S(=O)(=O)c2cccc3c(Cl)ccnc32)C1 ZINC000584702552 565092192 /nfs/dbraw/zinc/09/21/92/565092192.db2.gz UUQCCUYOPJYBQL-XJKSGUPXSA-N 1 0 379.913 2.993 20 0 GFADRO CN1CC[NH2+]C[C@@H]1CNC(=O)c1ccc(-c2ccc(Br)cc2)s1 ZINC000584715648 565093355 /nfs/dbraw/zinc/09/33/55/565093355.db2.gz ZAAXDXXMGQHUDS-CQSZACIVSA-N 1 0 394.338 2.811 20 0 GFADRO Cc1c(Br)cncc1C[NH2+]Cc1cccc(CS(C)(=O)=O)c1 ZINC000657339945 565096950 /nfs/dbraw/zinc/09/69/50/565096950.db2.gz SBDDMLFYMNVXIL-UHFFFAOYSA-N 1 0 383.311 2.987 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(-n2cc(Br)cn2)cc1 ZINC000614128588 565097404 /nfs/dbraw/zinc/09/74/04/565097404.db2.gz JDGSNMFXHMZQJF-WBVHZDCISA-N 1 0 389.297 2.991 20 0 GFADRO Cc1nc(C[NH2+]CCc2ccc(S(=O)(=O)N3CCCCC3)s2)[nH]c1C ZINC000584793660 565098995 /nfs/dbraw/zinc/09/89/95/565098995.db2.gz TWTPAOKYOSNJLR-UHFFFAOYSA-N 1 0 382.555 2.595 20 0 GFADRO C[NH+]1CCN(c2ccc(NCc3c(F)cncc3Br)cn2)CC1 ZINC000657399713 565099765 /nfs/dbraw/zinc/09/97/65/565099765.db2.gz CRKJXVSJMKXVKQ-UHFFFAOYSA-N 1 0 380.265 2.742 20 0 GFADRO CC[C@H]([NH3+])CNC(=O)c1ccc(I)c(Br)c1 ZINC000584838719 565101122 /nfs/dbraw/zinc/10/11/22/565101122.db2.gz CLLJKWJZSSFYNG-QMMMGPOBSA-N 1 0 397.054 2.521 20 0 GFADRO COc1cc(C(=O)NCC23CCC[NH+]2CCC3)cc(Br)c1OC ZINC000614223310 565102366 /nfs/dbraw/zinc/10/23/66/565102366.db2.gz AHMRICZQDSHBGC-UHFFFAOYSA-N 1 0 383.286 2.825 20 0 GFADRO CC(C)[NH+]1CCC(NC(=O)C(=O)Nc2cccc(Br)c2F)CC1 ZINC000657511112 565104621 /nfs/dbraw/zinc/10/46/21/565104621.db2.gz PJPWCNPKCRAQHA-UHFFFAOYSA-N 1 0 386.265 2.516 20 0 GFADRO C[NH+](C)C1(CNC(=O)C(=O)Nc2cccc(Br)c2F)CCCC1 ZINC000657507004 565104780 /nfs/dbraw/zinc/10/47/80/565104780.db2.gz AFUGKVHTDNEKRU-UHFFFAOYSA-N 1 0 386.265 2.517 20 0 GFADRO CC[NH+]1CCN(CCC(=O)NCc2c(Cl)cccc2OC(F)F)CC1 ZINC000636336379 565106594 /nfs/dbraw/zinc/10/65/94/565106594.db2.gz VSBHKARAICYNQK-UHFFFAOYSA-N 1 0 375.847 2.585 20 0 GFADRO Cc1c(F)c(Br)ccc1NC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000657534089 565107512 /nfs/dbraw/zinc/10/75/12/565107512.db2.gz DVIZUFODKJXYQL-ZIAGYGMSSA-N 1 0 398.276 2.578 20 0 GFADRO CCOc1cc(C[NH2+]C[C@H](OC)[C@H]2CCOC2)cc(Br)c1OC ZINC000657543184 565107740 /nfs/dbraw/zinc/10/77/40/565107740.db2.gz LEBDIKXFGFDBID-BBRMVZONSA-N 1 0 388.302 2.998 20 0 GFADRO Cc1cc(Br)c(Cl)cc1NC(=O)C(=O)N[C@H](C)CC[NH+](C)C ZINC000657591061 565111761 /nfs/dbraw/zinc/11/17/61/565111761.db2.gz BDWYPPOSEOVHLI-SNVBAGLBSA-N 1 0 390.709 2.806 20 0 GFADRO O[C@H]1CC[N@H+](Cc2ccc(CNCc3c(F)cncc3Br)cc2)C1 ZINC000657596184 565112079 /nfs/dbraw/zinc/11/20/79/565112079.db2.gz MBSGPENSBIEISZ-HNNXBMFYSA-N 1 0 394.288 2.840 20 0 GFADRO CC[NH+](CC)CCS(=O)(=O)N(CCOC)Cc1ccc(F)cc1Cl ZINC000685591514 565112997 /nfs/dbraw/zinc/11/29/97/565112997.db2.gz BVGDHRZCZHPDCZ-UHFFFAOYSA-N 1 0 380.913 2.599 20 0 GFADRO COc1ccc(C(=O)N2CCC[C@H]([NH+]3CCOCC3)CC2)c(Br)c1 ZINC000614439564 565113353 /nfs/dbraw/zinc/11/33/53/565113353.db2.gz AQQNVHJEBBTUQS-AWEZNQCLSA-N 1 0 397.313 2.785 20 0 GFADRO C[NH+](C)CCN1CCC(NC(=O)NCc2csc(C(F)(F)F)c2)CC1 ZINC000636534474 565114986 /nfs/dbraw/zinc/11/49/86/565114986.db2.gz WQQVJTMKEQLYHX-UHFFFAOYSA-N 1 0 378.464 2.592 20 0 GFADRO C[C@H]([NH2+]CCC(=O)Nc1ccc(Br)cc1)C(C)(C)n1cncn1 ZINC000685646520 565117776 /nfs/dbraw/zinc/11/77/76/565117776.db2.gz QLZKNMSOQQTLHD-LBPRGKRZSA-N 1 0 380.290 2.783 20 0 GFADRO CN(C)C(=O)CCCNC(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000636637188 565118041 /nfs/dbraw/zinc/11/80/41/565118041.db2.gz OGBFQOYBDDDYKI-HNNXBMFYSA-N 1 0 389.327 2.764 20 0 GFADRO O=C(NCC[N@H+]1CC[C@H](O)C1)N[C@@H](c1ccsc1)c1ccc(Cl)cc1 ZINC000636638797 565118370 /nfs/dbraw/zinc/11/83/70/565118370.db2.gz DXYSAVAPWQXWNF-DLBZAZTESA-N 1 0 379.913 2.857 20 0 GFADRO O=C(c1c(O)cnc2c(Br)cccc21)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000685653524 565118623 /nfs/dbraw/zinc/11/86/23/565118623.db2.gz KCVZSMCKFCIGJJ-LLVKDONJSA-N 1 0 376.254 2.623 20 0 GFADRO C[C@H](NC(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)[C@@H](O)C(F)(F)F ZINC000636679179 565120407 /nfs/dbraw/zinc/12/04/07/565120407.db2.gz RIFMHIFFBCISEL-SGMGOOAPSA-N 1 0 379.448 2.571 20 0 GFADRO CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]C[C@@H]1CC(=O)N(C(C)(C)C)C1 ZINC000657753963 565125947 /nfs/dbraw/zinc/12/59/47/565125947.db2.gz SBVOCILJTJNGGP-ZDUSSCGKSA-N 1 0 386.945 2.870 20 0 GFADRO CC(C)[C@H]([NH2+]CCCNS(C)(=O)=O)c1cc(F)cc(Br)c1 ZINC000657827114 565132290 /nfs/dbraw/zinc/13/22/90/565132290.db2.gz KSQCJTMTUWGEQX-AWEZNQCLSA-N 1 0 381.311 2.814 20 0 GFADRO CC[C@H](Cc1ccc(Br)cc1)[NH2+]C1CCN(CC(=O)NC)CC1 ZINC000657834027 565132459 /nfs/dbraw/zinc/13/24/59/565132459.db2.gz IHGFUYXSKJUPIU-MRXNPFEDSA-N 1 0 382.346 2.570 20 0 GFADRO COCC[N@H+](C)CCCNC(=O)N[C@@H]1C[C@@H]1c1cccc(Br)c1 ZINC000588280347 565132694 /nfs/dbraw/zinc/13/26/94/565132694.db2.gz CKXHTDQODMSIPW-HZPDHXFCSA-N 1 0 384.318 2.573 20 0 GFADRO CNC(=O)CN1CCC([NH2+][C@H](Cc2ccc(Br)cc2)C(C)C)CC1 ZINC000657836953 565132746 /nfs/dbraw/zinc/13/27/46/565132746.db2.gz YKHYEVKLSXXBIS-GOSISDBHSA-N 1 0 396.373 2.816 20 0 GFADRO C[C@H](NC(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1)c1ncn(C)n1 ZINC000637072903 565137014 /nfs/dbraw/zinc/13/70/14/565137014.db2.gz HVCRYIORTBUNCD-IINYFYTJSA-N 1 0 385.299 2.785 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)c1ccc(-n2cc(Br)cn2)cc1)C1CC1 ZINC000614906672 565137616 /nfs/dbraw/zinc/13/76/16/565137616.db2.gz AWUAJOPRNLRUJF-MRXNPFEDSA-N 1 0 377.286 2.705 20 0 GFADRO CC[C@H](Cc1ccc(Br)cc1)[NH2+]C[C@H]1CCCN1S(C)(=O)=O ZINC000657932212 565138266 /nfs/dbraw/zinc/13/82/66/565138266.db2.gz KKQZDGVAOKHAFF-HZPDHXFCSA-N 1 0 389.359 2.784 20 0 GFADRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)C(=O)Nc1cccc(Br)c1F ZINC000657953518 565139255 /nfs/dbraw/zinc/13/92/55/565139255.db2.gz PHQXOWINMJJRSY-FZMZJTMJSA-N 1 0 398.276 2.612 20 0 GFADRO CCCC[N@H+](C)C[C@H](C)NC(=O)C(=O)Nc1cccc(Br)c1F ZINC000657956974 565139569 /nfs/dbraw/zinc/13/95/69/565139569.db2.gz DCVLIEYGZWDKNF-NSHDSACASA-N 1 0 388.281 2.763 20 0 GFADRO Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)N1CCC2(C1)CC[NH+](C)CC2 ZINC000614963957 565140389 /nfs/dbraw/zinc/14/03/89/565140389.db2.gz TXYXVFKIJVCYIU-UHFFFAOYSA-N 1 0 378.826 2.808 20 0 GFADRO Cc1csc(C(=O)N[C@@H]2CCC[C@H]2[NH+](C)C)c1I ZINC000588814368 565140586 /nfs/dbraw/zinc/14/05/86/565140586.db2.gz ZHVOVDHNQXSTGD-NXEZZACHSA-N 1 0 378.279 2.874 20 0 GFADRO O=C(Nc1cccc(Br)c1F)C(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000657997809 565144162 /nfs/dbraw/zinc/14/41/62/565144162.db2.gz LDWNWTRJEKDSEK-UHFFFAOYSA-N 1 0 398.276 2.660 20 0 GFADRO O=C(NCC[NH2+][C@@H]1Cc2ccc(Cl)cc2C1)c1ccc(Br)cn1 ZINC000658091973 565149261 /nfs/dbraw/zinc/14/92/61/565149261.db2.gz KGLDSBRDHQXPCR-OAHLLOKOSA-N 1 0 394.700 2.984 20 0 GFADRO COc1ccsc1[C@H](C)[NH2+]CCNC(=O)c1ccc(Br)cn1 ZINC000658092281 565149321 /nfs/dbraw/zinc/14/93/21/565149321.db2.gz LHHKAGFCALTNMX-JTQLQIEISA-N 1 0 384.299 2.995 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)C(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000658118672 565150172 /nfs/dbraw/zinc/15/01/72/565150172.db2.gz FPWNCQGVKZBKSS-CYBMUJFWSA-N 1 0 396.329 2.933 20 0 GFADRO CC1(C)C[C@@H]([NH2+]C[C@]2(OCCO)CCOC2)c2cc(Br)ccc21 ZINC000658144087 565153068 /nfs/dbraw/zinc/15/30/68/565153068.db2.gz KMMKNNSWMFUZEB-SJLPKXTDSA-N 1 0 384.314 2.929 20 0 GFADRO C[C@@H]([NH2+]C[C@@]1(OCCO)CCOC1)c1ccc(Br)c(Cl)c1 ZINC000658147391 565153666 /nfs/dbraw/zinc/15/36/66/565153666.db2.gz ZTGKUSPDANLZFN-ABAIWWIYSA-N 1 0 378.694 2.921 20 0 GFADRO CCC[NH+]1CCC(N(C)C(=O)NCc2cc(Br)cnc2OC)CC1 ZINC000637406885 565154176 /nfs/dbraw/zinc/15/41/76/565154176.db2.gz KAWZLQGUABDIJU-UHFFFAOYSA-N 1 0 399.333 2.869 20 0 GFADRO C[N@@H+]1CCC[C@@H]1[C@H]1COCCN1C(=O)c1cc(F)c(F)cc1Br ZINC000615271883 565154180 /nfs/dbraw/zinc/15/41/80/565154180.db2.gz ZGCDDKFVHMTTAI-HUUCEWRRSA-N 1 0 389.240 2.663 20 0 GFADRO C[NH+](C)CCN(Cc1cccc(I)c1)C[C@@H]1CCCO1 ZINC000589196253 565155173 /nfs/dbraw/zinc/15/51/73/565155173.db2.gz MGTNXQAJVINRBK-INIZCTEOSA-N 1 0 388.293 2.834 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2cc(Br)cnc2OC)C[C@@H]1C ZINC000637407134 565155297 /nfs/dbraw/zinc/15/52/97/565155297.db2.gz SSWISNNKVPXAKK-WFASDCNBSA-N 1 0 399.333 2.867 20 0 GFADRO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)CNC(=O)c1sc2ccccc2c1Cl ZINC000615314083 565157369 /nfs/dbraw/zinc/15/73/69/565157369.db2.gz QFIOFXSWIQUFFG-YPMHNXCESA-N 1 0 379.913 2.836 20 0 GFADRO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)CCNC(=O)Nc1ccc(Br)cc1 ZINC000615311745 565157580 /nfs/dbraw/zinc/15/75/80/565157580.db2.gz IXDAIVJZUVZWMZ-IUODEOHRSA-N 1 0 397.317 2.512 20 0 GFADRO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)C1CCN(C(=O)c2ccc(Cl)s2)CC1 ZINC000615307564 565157807 /nfs/dbraw/zinc/15/78/07/565157807.db2.gz GYFVKOJNGBNMEO-TZMCWYRMSA-N 1 0 383.945 2.805 20 0 GFADRO CC(C)[NH2+]CCCNC(=O)N[C@@H]1CCN(c2ccccc2Br)C1 ZINC000637504179 565160259 /nfs/dbraw/zinc/16/02/59/565160259.db2.gz YQMMBISIPBDLOB-CQSZACIVSA-N 1 0 383.334 2.715 20 0 GFADRO CN(C)CC[N@H+](C)CCCN(C)C(=O)NCc1csc(C(F)(F)F)c1 ZINC000637524616 565160613 /nfs/dbraw/zinc/16/06/13/565160613.db2.gz GPJMOXSLJBLVAT-UHFFFAOYSA-N 1 0 380.480 2.792 20 0 GFADRO C[C@H](NS(=O)(=O)c1cc(Cl)ccc1OC(F)(F)F)[C@H]1CCC[NH2+]C1 ZINC000658365643 565161433 /nfs/dbraw/zinc/16/14/33/565161433.db2.gz UFQIVKOYPHJBGF-UWVGGRQHSA-N 1 0 386.823 2.905 20 0 GFADRO CCOc1c(Cl)cc(NC(=O)C(=O)N(CC)[C@@H]2CC[N@H+](C)C2)cc1Cl ZINC000658361718 565161701 /nfs/dbraw/zinc/16/17/01/565161701.db2.gz OHTBNWNLACHQGY-GFCCVEGCSA-N 1 0 388.295 2.883 20 0 GFADRO CCN(C(=O)C(=O)Nc1ccc(Cl)c(Br)c1)[C@@H]1CC[N@H+](C)C1 ZINC000658361026 565161954 /nfs/dbraw/zinc/16/19/54/565161954.db2.gz NGLLSTWSSPSZJW-LLVKDONJSA-N 1 0 388.693 2.594 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CCCN(S(=O)(=O)c2cc(Cl)ccc2OC(F)(F)F)C1 ZINC000658368539 565162871 /nfs/dbraw/zinc/16/28/71/565162871.db2.gz JFSMEUMJSGLDQV-ZJUUUORDSA-N 1 0 386.823 2.987 20 0 GFADRO C[NH+](C)CC1CN(C(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)C1 ZINC000615512151 565164072 /nfs/dbraw/zinc/16/40/72/565164072.db2.gz CQISJEBCPHSQQH-INIZCTEOSA-N 1 0 384.307 2.618 20 0 GFADRO O=S(=O)(Cc1cc(F)ccc1Br)NCc1ccc2c(c1)C[NH2+]C2 ZINC000658378618 565164686 /nfs/dbraw/zinc/16/46/86/565164686.db2.gz VVCPARHTUPAWEE-UHFFFAOYSA-N 1 0 399.285 2.811 20 0 GFADRO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NS(=O)(=O)c2sccc2Cl)cc1 ZINC000658392735 565167135 /nfs/dbraw/zinc/16/71/35/565167135.db2.gz OQWXGPTXNCGARX-ZFWWWQNUSA-N 1 0 386.926 2.834 20 0 GFADRO C[C@@H]1CCCN(S(=O)(=O)c2cc(F)ccc2OC(F)F)[C@@H]1CCC[NH3+] ZINC000658400134 565167917 /nfs/dbraw/zinc/16/79/17/565167917.db2.gz MYYXFGRYBCLGJU-DGCLKSJQSA-N 1 0 380.432 2.955 20 0 GFADRO C[C@@H]1CCN(S(=O)(=O)c2cc(Br)ccc2Cl)[C@H](C[NH3+])C1 ZINC000658400512 565167927 /nfs/dbraw/zinc/16/79/27/565167927.db2.gz FYMVENSOEOWFFN-KOLCDFICSA-N 1 0 381.723 2.850 20 0 GFADRO [NH3+][C@@H]1CN(S(=O)(=O)c2csc(-c3ccc(Cl)cc3)n2)CC[C@H]1F ZINC000658408646 565168362 /nfs/dbraw/zinc/16/83/62/565168362.db2.gz XKWQYAGFHBXVFC-VXGBXAGGSA-N 1 0 375.878 2.523 20 0 GFADRO C[C@H](CCNC(=O)C(=O)Nc1cc(Cl)ccc1OC(F)(F)F)[NH+](C)C ZINC000658426532 565169560 /nfs/dbraw/zinc/16/95/60/565169560.db2.gz HJUXOMWKHGDEPL-SECBINFHSA-N 1 0 381.782 2.634 20 0 GFADRO CCN(C(=O)C(=O)Nc1c(C)cc(Br)cc1C)[C@H]1CC[N@H+](CC)C1 ZINC000658465974 565171512 /nfs/dbraw/zinc/17/15/12/565171512.db2.gz ZUZTYUPEXTXPHE-HNNXBMFYSA-N 1 0 396.329 2.947 20 0 GFADRO O=C(NCC[C@H]1CCC[NH2+]C1)N1CCO[C@H](c2cccc(Br)c2)C1 ZINC000637770957 565172106 /nfs/dbraw/zinc/17/21/06/565172106.db2.gz GPGGJULNFMZKEE-PBHICJAKSA-N 1 0 396.329 2.922 20 0 GFADRO Cc1cc(Br)c(C(=O)N2CCC[NH2+]CC2)cc1Br ZINC000637801540 565172681 /nfs/dbraw/zinc/17/26/81/565172681.db2.gz LNADPEUGIHNUEF-UHFFFAOYSA-N 1 0 376.092 2.956 20 0 GFADRO O=C(c1cc(Br)cc2nc[nH]c21)N1CCC([NH2+]CC2CC2)CC1 ZINC000637857589 565174507 /nfs/dbraw/zinc/17/45/07/565174507.db2.gz YDHJZAZGQOJOPX-UHFFFAOYSA-N 1 0 377.286 2.930 20 0 GFADRO O=C(c1ccc2cncc(Br)c2n1)N(C1CC1)C1CC[NH2+]CC1 ZINC000637806700 565174572 /nfs/dbraw/zinc/17/45/72/565174572.db2.gz LYRDZLGNONLTEX-UHFFFAOYSA-N 1 0 375.270 2.749 20 0 GFADRO O=C(Nc1ccc(Br)cc1)C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000658646940 565181970 /nfs/dbraw/zinc/18/19/70/565181970.db2.gz GHMQDVKMDSHGGU-HNNXBMFYSA-N 1 0 394.313 2.911 20 0 GFADRO CC[C@@H](CNC(=O)c1cnc(C[NH3+])nc1)Cc1cccc(Br)c1 ZINC000638009907 565182148 /nfs/dbraw/zinc/18/21/48/565182148.db2.gz BHGCNRXGOKBEIP-GFCCVEGCSA-N 1 0 377.286 2.697 20 0 GFADRO O=C(c1cc(Br)c2nccn2c1)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000638141614 565186717 /nfs/dbraw/zinc/18/67/17/565186717.db2.gz HPKLKKHRNHZMQU-OAHLLOKOSA-N 1 0 377.286 2.701 20 0 GFADRO C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1ccc(I)c(F)c1 ZINC000590402660 565187291 /nfs/dbraw/zinc/18/72/91/565187291.db2.gz GDUNCXSDGIZADS-ZANVPECISA-N 1 0 376.213 2.595 20 0 GFADRO [NH3+][C@H]1CCc2nc(NC(=O)c3cc(Br)c4nccn4c3)sc2C1 ZINC000638233491 565188512 /nfs/dbraw/zinc/18/85/12/565188512.db2.gz GFLSCYPURITFCA-VIFPVBQESA-N 1 0 392.282 2.622 20 0 GFADRO CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2cc(Cl)cc(Br)c2)C1 ZINC000658785672 565188567 /nfs/dbraw/zinc/18/85/67/565188567.db2.gz WZCVZADJMAHFLY-GFCCVEGCSA-N 1 0 388.693 2.642 20 0 GFADRO O=C([C@H]1[C@@H]2c3ccc(Br)cc3C[C@H]12)N1CCC2(CC[NH2+]C2)CC1 ZINC000638247695 565190114 /nfs/dbraw/zinc/19/01/14/565190114.db2.gz QZFPAVCEUPJJJG-GVDBMIGSSA-N 1 0 375.310 2.937 20 0 GFADRO CN(C)[C@@H](C[NH2+]Cc1cnn2cc(Br)cnc12)Cc1ccccc1 ZINC000638302012 565191138 /nfs/dbraw/zinc/19/11/38/565191138.db2.gz RDPFGFGEPKIVDU-QGZVFWFLSA-N 1 0 388.313 2.754 20 0 GFADRO COc1nsc(C[NH2+]C2CCN(C(=O)C(C)C)CC2)c1Br ZINC000638355488 565193427 /nfs/dbraw/zinc/19/34/27/565193427.db2.gz HYQJAGPJIFIYMW-UHFFFAOYSA-N 1 0 376.320 2.651 20 0 GFADRO [NH3+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1[C@@H]3Cc4c(cccc4Br)[C@@H]31)C2 ZINC000638383677 565193470 /nfs/dbraw/zinc/19/34/70/565193470.db2.gz IXNLFGHORIVQPC-ZDNICESLSA-N 1 0 375.310 2.922 20 0 GFADRO CCCOc1ccc(C[NH2+]Cc2cnn3cc(Br)cnc23)cn1 ZINC000638377807 565193989 /nfs/dbraw/zinc/19/39/89/565193989.db2.gz VZMCJTHADJINIJ-UHFFFAOYSA-N 1 0 376.258 2.965 20 0 GFADRO CO[C@H]1C[NH2+][C@@](C)(C(=O)N2CCc3[nH]c4ccc(Br)cc4c3C2)C1 ZINC000638407725 565194697 /nfs/dbraw/zinc/19/46/97/565194697.db2.gz JJULSMBQPKPYTD-KZULUSFZSA-N 1 0 392.297 2.582 20 0 GFADRO COc1cc(C(=O)N2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)ccc1Br ZINC000638393660 565195135 /nfs/dbraw/zinc/19/51/35/565195135.db2.gz SRYSSHVTJSENNI-UNEWFSDZSA-N 1 0 397.313 2.959 20 0 GFADRO O=C(NCC12CC(C1)C[NH2+]2)c1scc(Br)c1Br ZINC000638426106 565196246 /nfs/dbraw/zinc/19/62/46/565196246.db2.gz ACDASSPTXPLXGO-UHFFFAOYSA-N 1 0 380.105 2.755 20 0 GFADRO O=C(COC1CC[NH2+]CC1)N(Cc1cccc(Br)c1)CC1CC1 ZINC000638448002 565196568 /nfs/dbraw/zinc/19/65/68/565196568.db2.gz QFOMRKOQSNKUSF-UHFFFAOYSA-N 1 0 381.314 2.956 20 0 GFADRO C[C@H](C[C@H]1CCCC(=O)N1)[NH2+]Cc1cc(Br)c2c(c1)OCCO2 ZINC000638440555 565196779 /nfs/dbraw/zinc/19/67/79/565196779.db2.gz SNKNFRINVCLQAR-DGCLKSJQSA-N 1 0 383.286 2.757 20 0 GFADRO CCn1ncnc1C[NH2+]CC1(c2ccc(Br)cc2)CCOCC1 ZINC000638481761 565197775 /nfs/dbraw/zinc/19/77/75/565197775.db2.gz NTKLXYSNPXYMKO-UHFFFAOYSA-N 1 0 379.302 2.899 20 0 GFADRO COC[C@]1(C(=O)N[C@@H](C)c2cc(F)c(Br)cc2F)CC[NH2+]C1 ZINC000638495415 565198986 /nfs/dbraw/zinc/19/89/86/565198986.db2.gz PAVQHPSWGJYOSO-VFZGTOFNSA-N 1 0 377.229 2.531 20 0 GFADRO [NH3+]CC[C@H](NC(=O)NC[C@H]1CCN(c2ccccc2Cl)C1)C(F)(F)F ZINC000659024187 565199616 /nfs/dbraw/zinc/19/96/16/565199616.db2.gz XGRKCMQTJMWXLB-RISCZKNCSA-N 1 0 378.826 2.745 20 0 GFADRO COc1ccc(Br)c(C(=O)NCCC[NH2+]CCC2CCOCC2)c1 ZINC000638524505 565200647 /nfs/dbraw/zinc/20/06/47/565200647.db2.gz PIFRNKFYZGVCCH-UHFFFAOYSA-N 1 0 399.329 2.984 20 0 GFADRO CSc1cc(Cl)ccc1NC(=O)C(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000659087462 565201338 /nfs/dbraw/zinc/20/13/38/565201338.db2.gz RXKZETMFJOSESH-CHWSQXEVSA-N 1 0 381.929 2.849 20 0 GFADRO [NH3+]C1(CNC(=O)C(=O)Nc2ccc(-c3ccc(Cl)s3)nc2)CCCC1 ZINC000659097848 565201609 /nfs/dbraw/zinc/20/16/09/565201609.db2.gz NHZNTLNPJSKXBH-UHFFFAOYSA-N 1 0 378.885 2.790 20 0 GFADRO COc1ccc(Cl)cc1NCC(=O)N1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000638556237 565201743 /nfs/dbraw/zinc/20/17/43/565201743.db2.gz JQRLYZUTXUHEHX-ZYHUDNBSSA-N 1 0 379.810 2.746 20 0 GFADRO Cc1cc(Br)c(Cl)cc1NC(=O)C(=O)NC(C)(C)CCC[NH3+] ZINC000659086421 565201822 /nfs/dbraw/zinc/20/18/22/565201822.db2.gz GIAORWGGTFUWFV-UHFFFAOYSA-N 1 0 390.709 2.983 20 0 GFADRO C[NH2+]CCOCCNC(=O)c1ccc(Oc2cccc(Cl)c2Cl)nn1 ZINC000638578490 565202562 /nfs/dbraw/zinc/20/25/62/565202562.db2.gz CUBQAFPYGMTOHE-UHFFFAOYSA-N 1 0 385.251 2.542 20 0 GFADRO C[NH2+]CCOCCNC(=O)CCc1nc2cc(C(F)(F)F)ccc2s1 ZINC000638579259 565203159 /nfs/dbraw/zinc/20/31/59/565203159.db2.gz NZJZWGSDIMBQDA-UHFFFAOYSA-N 1 0 375.416 2.600 20 0 GFADRO [NH3+]C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCCSc2ccc(Br)cc21 ZINC000638586213 565203412 /nfs/dbraw/zinc/20/34/12/565203412.db2.gz POUBSXYFXYGRAH-BNOWGMLFSA-N 1 0 385.327 2.856 20 0 GFADRO [NH3+]C[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCCSc2ccc(Br)cc21 ZINC000638586216 565203528 /nfs/dbraw/zinc/20/35/28/565203528.db2.gz POUBSXYFXYGRAH-YUTCNCBUSA-N 1 0 385.327 2.856 20 0 GFADRO Cc1ccc([C@H]2OCCC[C@@H]2C[NH2+]Cc2ccc(S(N)(=O)=O)s2)cc1 ZINC000638692092 565207164 /nfs/dbraw/zinc/20/71/64/565207164.db2.gz DAASJUQVQUPFBF-CRAIPNDOSA-N 1 0 380.535 2.961 20 0 GFADRO COc1nsc(C[NH2+][C@@H]2CCCC[C@H]2N2CCOCC2)c1Br ZINC000638764090 565209279 /nfs/dbraw/zinc/20/92/79/565209279.db2.gz PNXMWYHBMYYKBX-VXGBXAGGSA-N 1 0 390.347 2.647 20 0 GFADRO COc1nsc(C[NH2+][C@H]2CCCC[C@H]2N2CCOCC2)c1Br ZINC000638764088 565209590 /nfs/dbraw/zinc/20/95/90/565209590.db2.gz PNXMWYHBMYYKBX-NWDGAFQWSA-N 1 0 390.347 2.647 20 0 GFADRO O=C(c1ccc(F)cc1Br)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000638778669 565210229 /nfs/dbraw/zinc/21/02/29/565210229.db2.gz NPKHKHHUKGJFRI-CQSZACIVSA-N 1 0 385.277 2.819 20 0 GFADRO O=C(CCc1cccc(Br)c1)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000638775469 565210320 /nfs/dbraw/zinc/21/03/20/565210320.db2.gz HKGRNJCNUMTYJU-SFHVURJKSA-N 1 0 395.341 2.999 20 0 GFADRO Cc1ccc(C(=O)N2CCC(CO[C@@H]3CC[NH2+]C3)CC2)cc1Br ZINC000638778879 565210486 /nfs/dbraw/zinc/21/04/86/565210486.db2.gz NTAVZNJYAHFVCP-MRXNPFEDSA-N 1 0 381.314 2.988 20 0 GFADRO CC(C)O[C@@H](C[NH2+]C[C@@H](O)CS(=O)(=O)c1cccs1)c1ccccc1 ZINC000638774018 565210722 /nfs/dbraw/zinc/21/07/22/565210722.db2.gz VXDDGCKPPOIIJP-SJORKVTESA-N 1 0 383.535 2.639 20 0 GFADRO Brc1cnc2c(C[NH2+][C@@H]3[C@@H]4CCO[C@H]4C34CCCC4)cnn2c1 ZINC000638791296 565212101 /nfs/dbraw/zinc/21/21/01/565212101.db2.gz KCJCMXXJRYOTAO-RRFJBIMHSA-N 1 0 377.286 2.929 20 0 GFADRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)c1sc2c(c1Br)CNC2 ZINC000659318324 565213404 /nfs/dbraw/zinc/21/34/04/565213404.db2.gz DKKPPYQNWXEJFR-SNVBAGLBSA-N 1 0 386.359 2.916 20 0 GFADRO CC(=O)N[C@H](CC(=O)N1CCCCC[C@@H]([NH3+])C1)c1ccc(Br)cc1 ZINC000638836867 565214065 /nfs/dbraw/zinc/21/40/65/565214065.db2.gz VCQBXARZJHQWHF-IAGOWNOFSA-N 1 0 396.329 2.746 20 0 GFADRO CN(CC1CC[NH+](C)CC1)S(=O)(=O)c1ccc(OC(F)F)c(Cl)c1 ZINC000591084725 565215155 /nfs/dbraw/zinc/21/51/55/565215155.db2.gz GCGSWPRXXGUMLK-UHFFFAOYSA-N 1 0 382.860 2.904 20 0 GFADRO Cn1ncc(Br)c1CNC(=O)[C@@H]([NH3+])c1ccc(C(F)(F)F)cc1 ZINC000638883671 565215415 /nfs/dbraw/zinc/21/54/15/565215415.db2.gz OXKSHCZRGZTVAU-LBPRGKRZSA-N 1 0 391.191 2.518 20 0 GFADRO Cc1nn(-c2ccc(C(=O)N3CC[C@@H](F)[C@H]([NH3+])C3)cc2)c(C)c1Br ZINC000659390778 565215701 /nfs/dbraw/zinc/21/57/01/565215701.db2.gz HKNZOKJAQFBNNI-HUUCEWRRSA-N 1 0 395.276 2.763 20 0 GFADRO C[C@@H](CC(=O)NCC[C@@H]([NH3+])Cc1ccccc1)n1cc(Br)cn1 ZINC000638882683 565215782 /nfs/dbraw/zinc/21/57/82/565215782.db2.gz UTYZYWOHDIQNHA-XJKSGUPXSA-N 1 0 379.302 2.673 20 0 GFADRO CC(C)[C@H]([NH3+])CCNC(=O)NC[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000659443511 565218003 /nfs/dbraw/zinc/21/80/03/565218003.db2.gz VTOCTVUPHHCHCQ-WMLDXEAASA-N 1 0 397.361 2.948 20 0 GFADRO CC(C)[C@H]([NH3+])CCNC(=O)NCCOc1ncc(C(F)(F)F)cc1Cl ZINC000659460082 565218090 /nfs/dbraw/zinc/21/80/90/565218090.db2.gz QCYZXVPYSXUFBL-GFCCVEGCSA-N 1 0 382.814 2.805 20 0 GFADRO O=C(c1scc(Br)c1Br)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638927001 565218182 /nfs/dbraw/zinc/21/81/82/565218182.db2.gz QCDNTFRDXRALLJ-KNVOCYPGSA-N 1 0 380.105 2.850 20 0 GFADRO CO[C@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)NCC12CC(C1)C[NH2+]2 ZINC000659477503 565218222 /nfs/dbraw/zinc/21/82/22/565218222.db2.gz JOIIEOZTPIVTDI-MRNPNLAOSA-N 1 0 382.302 2.576 20 0 GFADRO Cc1cc(COc2ccc(C(=O)N3C[C@@H]([NH3+])C[C@@H]3C)cc2Br)on1 ZINC000638940090 565218370 /nfs/dbraw/zinc/21/83/70/565218370.db2.gz UDAFLOXDOAIQPJ-AAEUAGOBSA-N 1 0 394.269 2.886 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)c1cc(Br)cc2c1OCCO2 ZINC000617005088 565218993 /nfs/dbraw/zinc/21/89/93/565218993.db2.gz CHAOZOHRYMDGIP-LBPRGKRZSA-N 1 0 383.286 2.823 20 0 GFADRO CC(C)C[C@H](C[NH3+])NC(=O)N1CCOC[C@H]1c1ccc(Br)cc1 ZINC000659523189 565219073 /nfs/dbraw/zinc/21/90/73/565219073.db2.gz QMTNRZULJFUPQY-CVEARBPZSA-N 1 0 384.318 2.905 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)c1cnc2ncc(Br)cc2c1 ZINC000617009366 565219043 /nfs/dbraw/zinc/21/90/43/565219043.db2.gz XQMUTEPCESFIEK-CQSZACIVSA-N 1 0 377.286 2.995 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H](NC(=O)N2CCOC[C@@H]2c2ccc(Br)cc2)C1 ZINC000659537484 565220386 /nfs/dbraw/zinc/22/03/86/565220386.db2.gz LOTSVSBHARWEIF-BZUAXINKSA-N 1 0 382.302 2.802 20 0 GFADRO [NH3+][C@H]1CCC[C@@H](NC(=O)N2CCN(c3ccc(Br)cc3)CC2)C1 ZINC000659534985 565220399 /nfs/dbraw/zinc/22/03/99/565220399.db2.gz CIWQUBOUAOIVTR-LSDHHAIUSA-N 1 0 381.318 2.551 20 0 GFADRO O=C(C[C@H]1Sc2ccc(Cl)cc2NC1=O)N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000639028203 565220875 /nfs/dbraw/zinc/22/08/75/565220875.db2.gz XFHBOGUVRPBGSA-DIOULYMOSA-N 1 0 379.913 2.743 20 0 GFADRO CCOC(=O)COc1c(Br)cc(C)cc1CN[C@@H]1CCC[NH2+]CC1 ZINC000591278450 565220890 /nfs/dbraw/zinc/22/08/90/565220890.db2.gz CNKFJVZNRICYAA-OAHLLOKOSA-N 1 0 399.329 2.931 20 0 GFADRO CC[C@H](Cc1ccc(Br)cc1)NC(=O)N1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000659624379 565221222 /nfs/dbraw/zinc/22/12/22/565221222.db2.gz NGFIRUUKQKRJGZ-MAZHCROVSA-N 1 0 384.318 2.528 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CN(C(=O)NC(CCC(F)(F)F)CCC(F)(F)F)CCO1 ZINC000659605576 565221633 /nfs/dbraw/zinc/22/16/33/565221633.db2.gz MYMXCAOKBLOCBS-ONGXEEELSA-N 1 0 379.345 2.798 20 0 GFADRO CC[C@@H]1CN(C(=O)Nc2ccc(Br)cc2C(=O)OC)CC[C@H]1[NH3+] ZINC000591292026 565221842 /nfs/dbraw/zinc/22/18/42/565221842.db2.gz BVCPJBDSSARTAH-ZWNOBZJWSA-N 1 0 384.274 2.827 20 0 GFADRO O=C(Nc1cc(F)c(F)cc1I)N[C@@H]1CCC[NH2+]CC1 ZINC000591288151 565222070 /nfs/dbraw/zinc/22/20/70/565222070.db2.gz BFFBXSYPMSMECP-MRVPVSSYSA-N 1 0 395.191 2.833 20 0 GFADRO COc1ccc(CCNC(=O)[C@](C)([NH3+])c2ccc(Br)cc2)cc1O ZINC000639048159 565222103 /nfs/dbraw/zinc/22/21/03/565222103.db2.gz YGVIIIHDMPDJEE-GOSISDBHSA-N 1 0 393.281 2.696 20 0 GFADRO Cc1[nH]c(=O)c(C(=O)N2CC[C@H](C[NH3+])c3ccccc32)cc1Br ZINC000639063337 565222853 /nfs/dbraw/zinc/22/28/53/565222853.db2.gz DPKRWKAHSNOVFH-LLVKDONJSA-N 1 0 376.254 2.951 20 0 GFADRO Brc1cnc2c(C[N@@H+]3CCSC4(CCOCC4)C3)cnn2c1 ZINC000639056615 565223029 /nfs/dbraw/zinc/22/30/29/565223029.db2.gz OSOHBCSDOKNECN-UHFFFAOYSA-N 1 0 383.315 2.590 20 0 GFADRO CCOC(=O)c1cc(Br)ccc1NC(=O)N[C@H]1CCC[NH2+]CC1 ZINC000591292852 565223066 /nfs/dbraw/zinc/22/30/66/565223066.db2.gz HWHRQLYUOFMQJP-LBPRGKRZSA-N 1 0 384.274 2.889 20 0 GFADRO CO[C@@H](C[NH2+]CCc1cn2cc(Br)cc(C)c2n1)[C@H]1CCOC1 ZINC000639063546 565223134 /nfs/dbraw/zinc/22/31/34/565223134.db2.gz XUZUMDARTLDOLM-BBRMVZONSA-N 1 0 382.302 2.589 20 0 GFADRO COC(=O)c1cc(NC(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)c(C)cc1Br ZINC000591306865 565224173 /nfs/dbraw/zinc/22/41/73/565224173.db2.gz SXSAIZFJSKNQDJ-ABAIWWIYSA-N 1 0 396.285 2.760 20 0 GFADRO COC[C@H](Cc1ccccc1)[N@H+](C)Cc1ccc(S(N)(=O)=O)c(Cl)c1 ZINC000639096892 565224832 /nfs/dbraw/zinc/22/48/32/565224832.db2.gz KOGSKSZYHUZJNV-INIZCTEOSA-N 1 0 382.913 2.677 20 0 GFADRO COc1ncc(Br)cc1CN1CCC[C@@H]1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000659855454 565226492 /nfs/dbraw/zinc/22/64/92/565226492.db2.gz DZYQTCGXNJYVIW-JKIFEVAISA-N 1 0 398.345 2.926 20 0 GFADRO O=C1C[C@@H]([NH2+][C@H](CO)c2ccc(Br)cc2C(F)(F)F)CCCN1 ZINC000639127156 565227146 /nfs/dbraw/zinc/22/71/46/565227146.db2.gz OQVZIWKCWYHPLQ-GXFFZTMASA-N 1 0 395.219 2.760 20 0 GFADRO Cc1cc(CNC(=O)NC[C@@H]2CCCC[NH2+]2)ccc1I ZINC000591357855 565227491 /nfs/dbraw/zinc/22/74/91/565227491.db2.gz VHWNMSBFXOFTNP-ZDUSSCGKSA-N 1 0 387.265 2.541 20 0 GFADRO [NH3+][C@@H]1CCC[C@H]2CN(c3ncnc4ccc(I)cc43)C[C@H]21 ZINC000591434892 565229897 /nfs/dbraw/zinc/22/98/97/565229897.db2.gz KDZFTQIDDFYJLN-ZLKJLUDKSA-N 1 0 394.260 2.798 20 0 GFADRO O=S(=O)(NCC1([NH+]2CCCC2)CCOCC1)c1cc(Cl)cc(Cl)c1 ZINC000591398858 565229913 /nfs/dbraw/zinc/22/99/13/565229913.db2.gz VQTSLDVFFKLOHX-UHFFFAOYSA-N 1 0 393.336 2.917 20 0 GFADRO C[NH+](C)C[C@H](CNS(=O)(=O)c1ccc(N)cc1F)c1ccc(Cl)cc1 ZINC000659985575 565236645 /nfs/dbraw/zinc/23/66/45/565236645.db2.gz NAWNLHLRPBHGSS-ZDUSSCGKSA-N 1 0 385.892 2.685 20 0 GFADRO CO[C@@H](C)c1nc(CN2CCC[N@H+](CCO[C@H]3CC3(F)F)CC2)cs1 ZINC000659993752 565236708 /nfs/dbraw/zinc/23/67/08/565236708.db2.gz NANOPCRGYQECQQ-ZFWWWQNUSA-N 1 0 375.485 2.782 20 0 GFADRO CN1CC(=O)N(CC[N@@H+]2CCC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)C1=O ZINC000659993437 565236799 /nfs/dbraw/zinc/23/67/99/565236799.db2.gz KGDKGGAKTKHWSO-CYBMUJFWSA-N 1 0 386.279 2.731 20 0 GFADRO CN1CC[C@@H]([NH2+]CC2(CC(N)=O)CC2)C[C@H]1c1ccc(Br)cc1 ZINC000639274723 565237443 /nfs/dbraw/zinc/23/74/43/565237443.db2.gz YXDRQVFUVVKPEQ-CVEARBPZSA-N 1 0 380.330 2.830 20 0 GFADRO COc1cc(Br)cc(S(=O)(=O)N2CCCC[C@@H]2C[NH+](C)C)c1 ZINC000660009513 565237943 /nfs/dbraw/zinc/23/79/43/565237943.db2.gz UYHYUADJKJDPFX-CYBMUJFWSA-N 1 0 391.331 2.563 20 0 GFADRO C[S@](=O)c1ccc(C[NH2+]C[C@@H](O)COc2ccc(Br)cc2)cc1 ZINC000591750155 565238956 /nfs/dbraw/zinc/23/89/56/565238956.db2.gz UWVVRCATVMPMSS-CMJOXMDJSA-N 1 0 398.322 2.716 20 0 GFADRO C[NH+](C)C[C@H]1CCCCN1S(=O)(=O)c1cc(Br)ccc1F ZINC000660010612 565239476 /nfs/dbraw/zinc/23/94/76/565239476.db2.gz KGDKLKKWPPAUOO-GFCCVEGCSA-N 1 0 379.295 2.693 20 0 GFADRO O=S(=O)(c1cc(F)c(F)cc1F)N1CCC(C[NH+]2CCCCC2)CC1 ZINC000591817637 565241238 /nfs/dbraw/zinc/24/12/38/565241238.db2.gz KVUCOYGWWFUUDV-UHFFFAOYSA-N 1 0 376.444 2.991 20 0 GFADRO C[C@]12C[NH+](Cc3cnc(-c4ccc(Cl)cc4)s3)C[C@]1(C)C(=O)NC2=O ZINC000639364015 565242136 /nfs/dbraw/zinc/24/21/36/565242136.db2.gz FZGOSFDEWKGVLT-QZTJIDSGSA-N 1 0 375.881 2.948 20 0 GFADRO CCN(C(=O)c1cc(=O)[nH]c2c(Br)cccc12)[C@H]1CC[N@H+](C)C1 ZINC000617553684 565245516 /nfs/dbraw/zinc/24/55/16/565245516.db2.gz NYCYIEFWCZYYJQ-NSHDSACASA-N 1 0 378.270 2.869 20 0 GFADRO O[C@@H](COc1cc(Cl)cc(Cl)c1)CN1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000639435690 565245806 /nfs/dbraw/zinc/24/58/06/565245806.db2.gz YLSKYCZVLDCDSN-SJORKVTESA-N 1 0 389.323 2.530 20 0 GFADRO CCN(C(=O)c1ccc(-n2cc(Br)cn2)cc1)[C@H]1CC[N@H+](C)C1 ZINC000617557282 565246558 /nfs/dbraw/zinc/24/65/58/565246558.db2.gz IDNGFYROIAUTIW-INIZCTEOSA-N 1 0 377.286 2.801 20 0 GFADRO C[C@H]1OCC[C@@H]1C[N@@H+]1CCCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000639472484 565247989 /nfs/dbraw/zinc/24/79/89/565247989.db2.gz KDSDEWYZSNCLFD-CHWSQXEVSA-N 1 0 378.947 2.523 20 0 GFADRO O[C@H](C[NH2+]C1(c2ccc(Br)cc2)CCC1)CC1(O)CCOCC1 ZINC000639538479 565249452 /nfs/dbraw/zinc/24/94/52/565249452.db2.gz PIFAPCMLTPGOQM-INIZCTEOSA-N 1 0 384.314 2.710 20 0 GFADRO C[N@H+](CC[C@@H]1Sc2ccccc2NC1=O)[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000660083861 565249861 /nfs/dbraw/zinc/24/98/61/565249861.db2.gz VSJGMOMTPJFESH-PVAVHDDUSA-N 1 0 382.551 2.777 20 0 GFADRO O=C(NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1occc1Br ZINC000617701395 565252256 /nfs/dbraw/zinc/25/22/56/565252256.db2.gz WEQRLUUJGBGMDE-CQSZACIVSA-N 1 0 379.254 2.539 20 0 GFADRO O[C@H](COc1cc(Cl)cc(Cl)c1)C[N@@H+]1C[C@H](O)C[C@@H]1[C@H]1CCCOC1 ZINC000639659863 565253871 /nfs/dbraw/zinc/25/38/71/565253871.db2.gz SYZXDCKYIVZELQ-OBZJAWTPSA-N 1 0 390.307 2.595 20 0 GFADRO C[C@H](CCNC(=O)[C@@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)c(Cl)c1)[NH+](C)C ZINC000617758086 565257284 /nfs/dbraw/zinc/25/72/84/565257284.db2.gz HTVUQOVAPPYHRW-NDGTYSDOSA-N 1 0 386.323 2.969 20 0 GFADRO CSc1ccccc1S(=O)(=O)N1CC2(CCCC2)OC[C@@H]1C[NH+](C)C ZINC000660151544 565260961 /nfs/dbraw/zinc/26/09/61/565260961.db2.gz UEWCSNWADYIHCR-HNNXBMFYSA-N 1 0 384.567 2.672 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)CCC[N@@H+]1C[C@@H](O)C[C@]1(C)CO ZINC000639849613 565264510 /nfs/dbraw/zinc/26/45/10/565264510.db2.gz PPAPZHVPWMFRIU-MAUKXSAKSA-N 1 0 399.329 2.602 20 0 GFADRO Cc1cc(Br)cc(Cl)c1NC(=O)C(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000617886797 565264872 /nfs/dbraw/zinc/26/48/72/565264872.db2.gz BVTINZBREGRJCE-NSHDSACASA-N 1 0 388.693 2.560 20 0 GFADRO CC(C)[C@H]1CN(C(=O)c2cc(F)c(F)cc2I)CC[NH2+]1 ZINC000592241789 565265173 /nfs/dbraw/zinc/26/51/73/565265173.db2.gz HWTDMMMPZRWBRT-CYBMUJFWSA-N 1 0 394.203 2.639 20 0 GFADRO CCN(C(=O)CSc1nnc(-c2cccs2)n1C)[C@H]1CC[N@H+](CC)C1 ZINC000617929855 565267563 /nfs/dbraw/zinc/26/75/63/565267563.db2.gz RMHLDHMKBMSFGC-ZDUSSCGKSA-N 1 0 379.555 2.578 20 0 GFADRO CN(Cc1ncsc1Br)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000660334457 565270619 /nfs/dbraw/zinc/27/06/19/565270619.db2.gz MJFPEYGNCMFVMR-QGZVFWFLSA-N 1 0 396.354 2.974 20 0 GFADRO Cn1c2cc(Br)ccc2nc1C[NH+]1CCC(CCO)(CCO)CC1 ZINC000640010197 565273005 /nfs/dbraw/zinc/27/30/05/565273005.db2.gz CZXWRODNGUWCQZ-UHFFFAOYSA-N 1 0 396.329 2.683 20 0 GFADRO O=C(CCc1ccc(Br)cc1F)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000592405141 565273303 /nfs/dbraw/zinc/27/33/03/565273303.db2.gz BCOFRVADAMFMMM-IAGOWNOFSA-N 1 0 399.304 2.578 20 0 GFADRO COC(=O)c1cc(F)c(Br)cc1NC(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000592425574 565275578 /nfs/dbraw/zinc/27/55/78/565275578.db2.gz DWCQHVQLLXQKKU-JGVFFNPUSA-N 1 0 376.226 2.622 20 0 GFADRO COc1ccc(Cl)cc1NC(=O)[C@H](C)N1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000640054589 565277708 /nfs/dbraw/zinc/27/77/08/565277708.db2.gz OGMFKIKXDDEUHR-JBLDHEPKSA-N 1 0 380.794 2.778 20 0 GFADRO CC(C)(C)n1nnc(CC[NH2+][C@@H]2CCOc3c(Br)cccc32)n1 ZINC000660478352 565278273 /nfs/dbraw/zinc/27/82/73/565278273.db2.gz BADQGYCOVBIYJW-CYBMUJFWSA-N 1 0 380.290 2.847 20 0 GFADRO CN(CC1C[NH+](C)C1)C(=O)c1cc(Br)cc(Br)c1 ZINC000618191592 565279887 /nfs/dbraw/zinc/27/98/87/565279887.db2.gz KMCMUIGGADMAKI-UHFFFAOYSA-N 1 0 376.092 2.845 20 0 GFADRO O=C(NCc1sccc1Br)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000660511206 565280112 /nfs/dbraw/zinc/28/01/12/565280112.db2.gz GXHQLZFDPZQLHG-LBPRGKRZSA-N 1 0 388.331 2.563 20 0 GFADRO Cc1nnc(CN(C)C(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)s1 ZINC000660513958 565280257 /nfs/dbraw/zinc/28/02/57/565280257.db2.gz JRBXUPVIWZQZJE-AWEZNQCLSA-N 1 0 379.555 2.962 20 0 GFADRO [NH3+]C[C@H]1CCCn2ncc(C(=O)N3CCc4cccc(Br)c4C3)c21 ZINC000592535739 565281051 /nfs/dbraw/zinc/28/10/51/565281051.db2.gz MMUFQQQDTKVRQE-CYBMUJFWSA-N 1 0 389.297 2.680 20 0 GFADRO CC(C)[C@H]([NH2+]CC(=O)N(C)c1nc2ccccc2s1)[C@H](O)C(F)(F)F ZINC000660525841 565281059 /nfs/dbraw/zinc/28/10/59/565281059.db2.gz QBJKMUWOHAMAAW-KBPBESRZSA-N 1 0 375.416 2.797 20 0 GFADRO Cc1nn(C)c(NC(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)c1Br ZINC000640163478 565281325 /nfs/dbraw/zinc/28/13/25/565281325.db2.gz LJXMARYGHNFGEX-CQSZACIVSA-N 1 0 394.317 2.785 20 0 GFADRO Cc1nn(C)c(NC(=O)N2CC[N@@H+](C3CCC3)C[C@H](C)C2)c1Br ZINC000640168529 565284683 /nfs/dbraw/zinc/28/46/83/565284683.db2.gz XOILBDLQRJMCCX-NSHDSACASA-N 1 0 384.322 2.829 20 0 GFADRO C[N@@H+]1CCC[C@@H](NC(=O)Nc2cc(N3CCOCC3)ccc2Br)C1 ZINC000640234486 565289672 /nfs/dbraw/zinc/28/96/72/565289672.db2.gz MVDZJVDDADLAKJ-CYBMUJFWSA-N 1 0 397.317 2.501 20 0 GFADRO COC(=O)C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)c1ccc(Br)cc1 ZINC000592748127 565291499 /nfs/dbraw/zinc/29/14/99/565291499.db2.gz WHWYTRVNQYTYDU-KCPJHIHWSA-N 1 0 383.286 2.510 20 0 GFADRO O=C(Nc1nn(CC(F)(F)F)cc1Cl)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000640292964 565293795 /nfs/dbraw/zinc/29/37/95/565293795.db2.gz PYJSBXRTQKAHDH-NSHDSACASA-N 1 0 379.814 3.191 20 0 GFADRO O=S1(=O)CCCN1C1CCN(CCSc2ccc(F)cc2F)CC1 ZINC000660794676 565294444 /nfs/dbraw/zinc/29/44/44/565294444.db2.gz KGHBSDTZXWNXNL-UHFFFAOYSA-N 1 0 376.494 2.557 20 0 GFADRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)Nc2nn(C)cc2Br)C1 ZINC000640310048 565299065 /nfs/dbraw/zinc/29/90/65/565299065.db2.gz SGNGQCCPKIGNHO-TZMCWYRMSA-N 1 0 392.301 3.140 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)Nc2nn(C)cc2Br)C1 ZINC000640327777 565302721 /nfs/dbraw/zinc/30/27/21/565302721.db2.gz SOQPZHFVLOLGKZ-KGLIPLIRSA-N 1 0 398.349 3.301 20 0 GFADRO CC(C)[NH2+]C1CCN(C(=O)Nc2nnc(C(F)(F)C(F)(F)F)s2)CC1 ZINC000640383300 565304129 /nfs/dbraw/zinc/30/41/29/565304129.db2.gz CWDCBAMVIPOVRZ-UHFFFAOYSA-N 1 0 387.378 3.187 20 0 GFADRO C[C@@H](CSc1ccccc1)[N@H+](C)CCC(=O)NC(=O)NCC(F)(F)F ZINC000593046612 565310125 /nfs/dbraw/zinc/31/01/25/565310125.db2.gz PYPIPVKSQNNAEK-LBPRGKRZSA-N 1 0 377.432 2.877 20 0 GFADRO C[C@@H](NC(=O)C[N@@H+]1CC[C@H](Cn2ccnn2)C1)c1ccc(Cl)cc1Cl ZINC000661141491 565310391 /nfs/dbraw/zinc/31/03/91/565310391.db2.gz OESGPUXQWLZHSB-OLZOCXBDSA-N 1 0 382.295 2.784 20 0 GFADRO O=C(NCCCn1cc(Br)cn1)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000661190661 565312260 /nfs/dbraw/zinc/31/22/60/565312260.db2.gz HQSSREIRQJWVBJ-OAHLLOKOSA-N 1 0 398.349 2.742 20 0 GFADRO O=[S@@](Cc1cc2n(n1)CCC2)Cc1cn2cc(Br)ccc2n1 ZINC000593202211 565319978 /nfs/dbraw/zinc/31/99/78/565319978.db2.gz OQMZJXVOVHEBCJ-QFIPXVFZSA-N 1 0 379.283 2.688 20 0 GFADRO C[S@](=O)C1(CNC(=O)Nc2ccc(SCC[NH+]3CCCC3)cc2)CC1 ZINC000593270213 565323305 /nfs/dbraw/zinc/32/33/05/565323305.db2.gz YISBIGSYTBIDGV-VWLOTQADSA-N 1 0 381.567 2.907 20 0 GFADRO C[C@H](C(=O)NC1CCCC1)n1cc([C@@H]([NH3+])c2ccc(Br)cc2)nn1 ZINC000640806108 565329212 /nfs/dbraw/zinc/32/92/12/565329212.db2.gz WTUJRMUQOOTXQN-BZNIZROVSA-N 1 0 392.301 2.709 20 0 GFADRO CSC1(CNC(=O)N2CCC3(CC2)C(F)(F)C3(F)F)CC[NH+](C)CC1 ZINC000593405845 565329766 /nfs/dbraw/zinc/32/97/66/565329766.db2.gz AZHRGVNOZYBLFB-UHFFFAOYSA-N 1 0 383.455 2.890 20 0 GFADRO C[N@H+](C[C@@H]1CCCN(S(C)(=O)=O)C1)[C@@H](CO)c1cccc(Cl)c1Cl ZINC000661643971 565333341 /nfs/dbraw/zinc/33/33/41/565333341.db2.gz QTDLWQZIHFOYGI-WFASDCNBSA-N 1 0 395.352 2.630 20 0 GFADRO C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+]1C[C@H]2COC[C@]2(C)C1 ZINC000661705053 565335319 /nfs/dbraw/zinc/33/53/19/565335319.db2.gz ZLGQXYJZYBGICU-XUWXXGDYSA-N 1 0 381.314 2.764 20 0 GFADRO CC[C@H]1C[N@H+](C)CCN1c1ncnc2cc(I)sc21 ZINC000593475470 565335927 /nfs/dbraw/zinc/33/59/27/565335927.db2.gz GDPDBDRXRLFACH-VIFPVBQESA-N 1 0 388.278 2.826 20 0 GFADRO C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)n1cc(C[NH2+]C2CC2)nn1 ZINC000640925562 565337321 /nfs/dbraw/zinc/33/73/21/565337321.db2.gz LPQDIKGHPCFXFA-GFCCVEGCSA-N 1 0 392.301 2.512 20 0 GFADRO C[C@H](O)[C@H]1CCC[N@@H+]1C[C@H](O)COc1ccc(Cl)cc1Br ZINC000661772357 565337973 /nfs/dbraw/zinc/33/79/73/565337973.db2.gz YAGJRPFLMJVOHV-VHRBIJSZSA-N 1 0 378.694 2.687 20 0 GFADRO CCc1nnc([C@@H](C)n2cc([C@H]([NH3+])c3ccc(Br)cc3)nn2)o1 ZINC000641033588 565341990 /nfs/dbraw/zinc/34/19/90/565341990.db2.gz OJPOWACIZLQEHQ-YMTOWFKASA-N 1 0 377.246 2.643 20 0 GFADRO CN(CCC[NH3+])Cc1cn(CC/C=C/c2ccc(Br)cc2)nn1 ZINC000641058266 565343437 /nfs/dbraw/zinc/34/34/37/565343437.db2.gz OKLPCBUEJHCTAA-GORDUTHDSA-N 1 0 378.318 2.925 20 0 GFADRO CN(Cc1cccc(Br)c1)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000661977061 565343569 /nfs/dbraw/zinc/34/35/69/565343569.db2.gz YKEROQOKLYDMJT-QGZVFWFLSA-N 1 0 396.329 2.844 20 0 GFADRO Brc1ccc2nc(C[N@H+](CCN3CCOCC3)CC3CC3)cn2c1 ZINC000661973501 565344174 /nfs/dbraw/zinc/34/41/74/565344174.db2.gz BYERJZDRISNLIQ-UHFFFAOYSA-N 1 0 393.329 2.641 20 0 GFADRO C[NH2+]C(C)(C)c1cn(Cc2cc3c(cc2Br)OCCCO3)nn1 ZINC000641120592 565347529 /nfs/dbraw/zinc/34/75/29/565347529.db2.gz HPUPOYOBEDELAE-UHFFFAOYSA-N 1 0 381.274 2.705 20 0 GFADRO COc1ccc(Cn2cc([C@@H]([NH3+])C3CCOCC3)nn2)c(Br)c1 ZINC000641118849 565347587 /nfs/dbraw/zinc/34/75/87/565347587.db2.gz XMAISRPGKACIAD-INIZCTEOSA-N 1 0 381.274 2.524 20 0 GFADRO O=C1CCCN1C[C@H]1CC[N@@H+](C[C@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000662062908 565349090 /nfs/dbraw/zinc/34/90/90/565349090.db2.gz SBLYPNMLWJAKBQ-ZFWWWQNUSA-N 1 0 387.307 2.677 20 0 GFADRO CCOC(=O)C(C)(C)CCC[C@@H](C)[NH2+]C[C@H]1CCCCN1S(C)(=O)=O ZINC000593626854 565349554 /nfs/dbraw/zinc/34/95/54/565349554.db2.gz HOOXEYATAWDNKU-HZPDHXFCSA-N 1 0 376.563 2.538 20 0 GFADRO Cc1nccn1CCCn1cc([C@@H]([NH3+])c2ccc(Br)cc2)nn1 ZINC000641150161 565350011 /nfs/dbraw/zinc/35/00/11/565350011.db2.gz XPDZDISNSQUATO-INIZCTEOSA-N 1 0 375.274 2.684 20 0 GFADRO CC[NH+]1CCC(NC(=O)CN2CC[C@@H]2c2ccc(Br)cc2)CC1 ZINC000662096695 565350335 /nfs/dbraw/zinc/35/03/35/565350335.db2.gz UAQGHYVYHVPNAM-QGZVFWFLSA-N 1 0 380.330 2.796 20 0 GFADRO CC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)NCC(=O)Nc1ccccc1Br ZINC000662131319 565351583 /nfs/dbraw/zinc/35/15/83/565351583.db2.gz MHTYCFBLGJJZMI-AGUYFDCRSA-N 1 0 394.313 2.767 20 0 GFADRO O[C@H](COc1cc(Cl)ccc1Cl)Cn1cc(C[C@H]2CCC[NH2+]C2)nn1 ZINC000641199754 565353102 /nfs/dbraw/zinc/35/31/02/565353102.db2.gz CBTHIXFUAPXQPY-DOMZBBRYSA-N 1 0 385.295 2.567 20 0 GFADRO CC(C)(C)[C@H]([NH3+])c1cn(C[C@H](O)COc2ccc(Br)cc2)nn1 ZINC000641195018 565353525 /nfs/dbraw/zinc/35/35/25/565353525.db2.gz ZHORCFPQBGSIHT-SWLSCSKDSA-N 1 0 383.290 2.526 20 0 GFADRO Cc1nc(-c2ccc(C[NH2+]C[C@H](O)CN3C[C@@H](C)O[C@@H](C)C3)s2)cs1 ZINC000619741060 565357503 /nfs/dbraw/zinc/35/75/03/565357503.db2.gz NFAHKIVGMBMASG-GUTXKFCHSA-N 1 0 381.567 2.740 20 0 GFADRO C[C@@H](c1ccc(Br)cc1)N1CCN(C[C@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662264047 565358280 /nfs/dbraw/zinc/35/82/80/565358280.db2.gz POCYCGGUNJLRKR-MAUKXSAKSA-N 1 0 394.357 2.649 20 0 GFADRO C[NH+](C)CCC[C@H]1CN(Cc2cn3cc(Br)ccc3n2)CCO1 ZINC000662323890 565360528 /nfs/dbraw/zinc/36/05/28/565360528.db2.gz TWBVGDDOLCWNOI-INIZCTEOSA-N 1 0 381.318 2.639 20 0 GFADRO C[NH+](C)CCC[C@H]1CN(Cc2cc3c(cc2Br)OCCO3)CCO1 ZINC000662318004 565360891 /nfs/dbraw/zinc/36/08/91/565360891.db2.gz VVBYSVBMUMTGLH-HNNXBMFYSA-N 1 0 399.329 2.763 20 0 GFADRO COCC[N@@H+]1CC[C@H](NC(=O)c2ccccc2SCc2cscn2)C1 ZINC000593909348 565367512 /nfs/dbraw/zinc/36/75/12/565367512.db2.gz WKBWKUPLRJEWMJ-AWEZNQCLSA-N 1 0 377.535 2.886 20 0 GFADRO O=C(NCc1ccc(Br)c(F)c1)c1cc(C2CC[NH2+]CC2)no1 ZINC000662458412 565369793 /nfs/dbraw/zinc/36/97/93/565369793.db2.gz VXUGNGLEVZBVPH-UHFFFAOYSA-N 1 0 382.233 2.973 20 0 GFADRO C[NH+](C)Cc1ccnc(NC(=O)c2sc3c(c2Br)CNC3)c1 ZINC000662490746 565371650 /nfs/dbraw/zinc/37/16/50/565371650.db2.gz TXWOANNBJXYNPX-UHFFFAOYSA-N 1 0 381.299 2.823 20 0 GFADRO C[C@@H](Cc1ccccc1Br)NC(=O)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC000662499601 565372758 /nfs/dbraw/zinc/37/27/58/565372758.db2.gz DOUOJJQVNLSYGD-WCQYABFASA-N 1 0 377.286 2.610 20 0 GFADRO N[C@H](C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)c1ccccc1Br ZINC000662505967 565372775 /nfs/dbraw/zinc/37/27/75/565372775.db2.gz WRHNBMVODLPKSI-KKXDTOCCSA-N 1 0 392.341 2.924 20 0 GFADRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)c2cc(F)c(F)cc2I)C1 ZINC000594102281 565375630 /nfs/dbraw/zinc/37/56/30/565375630.db2.gz JDISOOUXJPKPRD-DTORHVGOSA-N 1 0 394.203 2.639 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)[C@H]1[NH2+]CCC1(C)C ZINC000662548390 565376104 /nfs/dbraw/zinc/37/61/04/565376104.db2.gz PYGGWSVDTJJVSM-OAHLLOKOSA-N 1 0 382.302 2.590 20 0 GFADRO C[NH2+]CCC1CCN(C(=O)c2cc(Br)cc3c2OCCO3)CC1 ZINC000662551123 565376135 /nfs/dbraw/zinc/37/61/35/565376135.db2.gz JLAJUZZLZVPVJH-UHFFFAOYSA-N 1 0 383.286 2.682 20 0 GFADRO COc1ccc(CNC(=O)[C@]2(C(F)(F)F)CC[NH2+]C2)cc1Br ZINC000662557669 565377194 /nfs/dbraw/zinc/37/71/94/565377194.db2.gz LDABSTMCYBJAFQ-ZDUSSCGKSA-N 1 0 381.192 2.616 20 0 GFADRO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCN(C(=O)Cc3ccc(Br)cc3F)C2)C1 ZINC000662581670 565377975 /nfs/dbraw/zinc/37/79/75/565377975.db2.gz JGCXGVQYWFBTHP-YSVLISHTSA-N 1 0 399.304 2.876 20 0 GFADRO O=C(c1sc2c(c1Br)CNC2)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662585972 565378326 /nfs/dbraw/zinc/37/83/26/565378326.db2.gz CTQQSPVWODFFMO-LBPRGKRZSA-N 1 0 398.370 2.966 20 0 GFADRO CC[NH+]1CCN(CCC(=O)N2CC[C@@H]2c2ccc(Br)cc2)CC1 ZINC000620332203 565378517 /nfs/dbraw/zinc/37/85/17/565378517.db2.gz BRZITQFRWSYQPB-QGZVFWFLSA-N 1 0 380.330 2.750 20 0 GFADRO CC1(C)C[NH2+][C@H]1C1CCN(C(=O)[C@@H](N)c2ccccc2Br)CC1 ZINC000662579092 565378611 /nfs/dbraw/zinc/37/86/11/565378611.db2.gz ZDADSODZVPTARI-HOTGVXAUSA-N 1 0 380.330 2.686 20 0 GFADRO CC[C@@H](Cc1ccc(Br)cc1)NC(=O)CCN1CC[NH+](CC)CC1 ZINC000620340266 565381023 /nfs/dbraw/zinc/38/10/23/565381023.db2.gz RLEBHYXRHYAGQI-SFHVURJKSA-N 1 0 396.373 2.914 20 0 GFADRO C[C@H]1CCCN(Cc2csc(NC(=O)[C@@]3(C(F)(F)F)CC[NH2+]C3)n2)C1 ZINC000662663537 565381187 /nfs/dbraw/zinc/38/11/87/565381187.db2.gz NUAAYSFLLJUONO-XHDPSFHLSA-N 1 0 376.448 2.856 20 0 GFADRO CS[C@H]1CN(C(=O)c2ccc(OCC(F)(F)F)o2)C[C@@H]1[NH+]1CCCC1 ZINC000594339836 565381913 /nfs/dbraw/zinc/38/19/13/565381913.db2.gz WJMOTJBVCPPJHT-AAEUAGOBSA-N 1 0 378.416 2.873 20 0 GFADRO C[NH+]1CCC2(CCN(S(=O)(=O)c3ccc(Br)cc3F)C2)CC1 ZINC000641587192 565384808 /nfs/dbraw/zinc/38/48/08/565384808.db2.gz NLDKJXHRBJRAJJ-UHFFFAOYSA-N 1 0 391.306 2.695 20 0 GFADRO O=C(CCc1ccc(Br)cc1F)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000620483938 565385630 /nfs/dbraw/zinc/38/56/30/565385630.db2.gz GLUJAIWVEOOCNY-INIZCTEOSA-N 1 0 399.304 2.578 20 0 GFADRO C[C@H](C(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1)c1ccc(Br)cc1 ZINC000620481807 565386399 /nfs/dbraw/zinc/38/63/99/565386399.db2.gz XIJNUOZKDAYNJF-GUYCJALGSA-N 1 0 381.314 2.610 20 0 GFADRO C[C@@H](C[NH+](C)C)[C@H]1CCCCN1S(=O)(=O)c1cccnc1C(F)(F)F ZINC000641622900 565387118 /nfs/dbraw/zinc/38/71/18/565387118.db2.gz DOSXLVWUHADFSY-QWHCGFSZSA-N 1 0 379.448 2.841 20 0 GFADRO COC(=O)c1cc(NC(=O)[C@H]2C[C@@]23CCC[NH2+]C3)cc(Br)c1F ZINC000594456378 565387670 /nfs/dbraw/zinc/38/76/70/565387670.db2.gz NYRJCVPVKQXNKY-BDJLRTHQSA-N 1 0 385.233 2.703 20 0 GFADRO C[C@]1(NC(=O)Cc2ccc(Br)c(Br)c2)CC[NH2+]C1 ZINC000663015186 565393458 /nfs/dbraw/zinc/39/34/58/565393458.db2.gz RSCRTADGYIKMCG-ZDUSSCGKSA-N 1 0 376.092 2.622 20 0 GFADRO Ic1cnc(C[NH2+][C@@H]2CCCN3CCCC[C@@H]23)s1 ZINC000594524202 565398485 /nfs/dbraw/zinc/39/84/85/565398485.db2.gz WZNJRMUGMGRRPK-MNOVXSKESA-N 1 0 377.295 2.854 20 0 GFADRO Cc1cc(Br)ccc1[C@H](C)[NH2+]C1CCN(CC(=O)N(C)C)CC1 ZINC000641773350 565398558 /nfs/dbraw/zinc/39/85/58/565398558.db2.gz HNGCMYVBLBRGDY-AWEZNQCLSA-N 1 0 382.346 2.961 20 0 GFADRO CC(C)([NH3+])CCNC(=O)C(=O)Nc1ccc(Br)c(Cl)c1Cl ZINC000641822716 565399432 /nfs/dbraw/zinc/39/94/32/565399432.db2.gz VETHXPKSTUPGJB-UHFFFAOYSA-N 1 0 397.100 2.938 20 0 GFADRO CC(C)([NH3+])CCNC(=O)C(=O)Nc1ccc(Br)c2ccccc12 ZINC000641821503 565399932 /nfs/dbraw/zinc/39/99/32/565399932.db2.gz IFKOKEGLKBHJKI-UHFFFAOYSA-N 1 0 378.270 2.784 20 0 GFADRO CC[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)NC/C=C/C[NH3+])CC1 ZINC000641862041 565400700 /nfs/dbraw/zinc/40/07/00/565400700.db2.gz IHHBDHIELIJAMH-IDOMTICXSA-N 1 0 395.345 2.742 20 0 GFADRO CC[C@@H]1CN(C(=O)c2nn(-c3ccc(F)cc3)cc2Br)C[C@H](C)[NH2+]1 ZINC000620903341 565400878 /nfs/dbraw/zinc/40/08/78/565400878.db2.gz NEBGZORXHOTHNL-WCQYABFASA-N 1 0 395.276 2.986 20 0 GFADRO Cc1ccc(CN(C[C@H]2CCCO2)C(=O)NC/C=C/C[NH3+])c(Br)c1 ZINC000641867608 565400919 /nfs/dbraw/zinc/40/09/19/565400919.db2.gz SWAVAUXQUNNVOO-WOMSROEHSA-N 1 0 396.329 2.963 20 0 GFADRO C[NH+](C)C1(CNC(=O)CNC(=O)c2ccc(Br)cc2)CCCCC1 ZINC000641945289 565402403 /nfs/dbraw/zinc/40/24/03/565402403.db2.gz QBLUMZPGJFSTFY-UHFFFAOYSA-N 1 0 396.329 2.560 20 0 GFADRO C[NH+](C)CCc1cn(Cc2ccc(I)c(Cl)c2)nn1 ZINC000594655964 565404083 /nfs/dbraw/zinc/40/40/83/565404083.db2.gz UWOIAANRHFKVGJ-UHFFFAOYSA-N 1 0 390.656 2.689 20 0 GFADRO COC(=O)CCN1CCC[C@@H]([NH2+][C@@H](C)c2ccc(Br)cc2)C1=O ZINC000594710057 565410902 /nfs/dbraw/zinc/41/09/02/565410902.db2.gz IOTWBFNLHPULJU-SWLSCSKDSA-N 1 0 383.286 2.654 20 0 GFADRO C[C@H](NC1CC[NH+]([C@H]2CCOC2)CC1)C(=O)Nc1cccc(Br)c1 ZINC000663304402 565411158 /nfs/dbraw/zinc/41/11/58/565411158.db2.gz QBQWWGKACFTQON-GUYCJALGSA-N 1 0 396.329 2.619 20 0 GFADRO CC[NH+](CC)CCO[C@H]1CCN(Cc2cc(OC)ncc2Br)C1 ZINC000621260711 565413179 /nfs/dbraw/zinc/41/31/79/565413179.db2.gz NDEDGJBKLRIKPU-HNNXBMFYSA-N 1 0 386.334 2.785 20 0 GFADRO C[C@H](CNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000642515724 565413551 /nfs/dbraw/zinc/41/35/51/565413551.db2.gz ASQWWLQWWCWGAQ-CHWSQXEVSA-N 1 0 380.432 2.984 20 0 GFADRO C[C@@H](CNS(=O)(=O)c1cccc(Br)c1)[N@@H+]1CCC[C@H](C)C1 ZINC000642515842 565414160 /nfs/dbraw/zinc/41/41/60/565414160.db2.gz PIRCRZOSWMSSFB-STQMWFEESA-N 1 0 375.332 2.848 20 0 GFADRO CNS(=O)(=O)CC[NH2+][C@H]1CCN(C(C)(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000621291047 565416094 /nfs/dbraw/zinc/41/60/94/565416094.db2.gz DMVSBLUMKDCKSI-JKSUJKDBSA-N 1 0 391.940 2.532 20 0 GFADRO CNS(=O)(=O)CCN[C@H](Cc1ccccc1)c1nc2ccccc2s1 ZINC000621299443 565416372 /nfs/dbraw/zinc/41/63/72/565416372.db2.gz CXHYELXEIYCMBX-MRXNPFEDSA-N 1 0 375.519 2.719 20 0 GFADRO CC[C@@H]1CN(C(=O)C(=O)N[C@@H](C)Cc2ccc(Cl)cc2Cl)CC[C@H]1[NH3+] ZINC000642711587 565417412 /nfs/dbraw/zinc/41/74/12/565417412.db2.gz ANXYVDMGPCANRD-HWWQOWPSSA-N 1 0 386.323 2.626 20 0 GFADRO O=C1CNC(=O)N1CC[NH2+][C@H]1CCCSc2ccc(Br)cc21 ZINC000663445726 565421136 /nfs/dbraw/zinc/42/11/36/565421136.db2.gz QDSWLJSHTKPHJU-LBPRGKRZSA-N 1 0 384.299 2.518 20 0 GFADRO Cc1nc(C)c(Br)c(Sc2nnc([C@H]3CCC[NH2+]C3)n2C)n1 ZINC000663627169 565428849 /nfs/dbraw/zinc/42/88/49/565428849.db2.gz FGOQOALXMVZPFE-JTQLQIEISA-N 1 0 383.319 2.603 20 0 GFADRO Brc1cnnc(Sc2nnc(C3CC[NH2+]CC3)n2C2CC2)c1 ZINC000663628495 565429423 /nfs/dbraw/zinc/42/94/23/565429423.db2.gz NCRWSFHNRSTJOY-UHFFFAOYSA-N 1 0 381.303 2.784 20 0 GFADRO OC[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1Nc1cc(Br)cnn1 ZINC000663727528 565433158 /nfs/dbraw/zinc/43/31/58/565433158.db2.gz RGKZTWDPJBHUBG-GOEBONIOSA-N 1 0 377.286 2.534 20 0 GFADRO [NH3+]CC1(O)CCN(C(=O)C2(c3ccc(Br)cc3)CCCCC2)CC1 ZINC000643608227 565435479 /nfs/dbraw/zinc/43/54/79/565435479.db2.gz NUESBWPANVFIBT-UHFFFAOYSA-N 1 0 395.341 2.963 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)C2(c3cccc(Br)c3)CCCC2)CCCO1 ZINC000643605643 565435639 /nfs/dbraw/zinc/43/56/39/565435639.db2.gz RCQDDGBORXZSDY-INIZCTEOSA-N 1 0 381.314 2.837 20 0 GFADRO C[C@@H]1CN(CC[NH2+]Cc2cc(Cl)ccc2I)CCO1 ZINC000594919303 565436295 /nfs/dbraw/zinc/43/62/95/565436295.db2.gz HVPQRWWOVGQIBK-LLVKDONJSA-N 1 0 394.684 2.755 20 0 GFADRO [NH3+][C@]12CCC[C@@H]1CN(C(=O)[C@H]1CCN(c3cc(Cl)ccc3Cl)C1=O)C2 ZINC000621688293 565437106 /nfs/dbraw/zinc/43/71/06/565437106.db2.gz SHGCTNQMTYZRDL-BVRBVLIYSA-N 1 0 382.291 2.686 20 0 GFADRO CC(C)(Oc1ccc(Br)cc1)C(=O)NCCNc1cc[nH+]cc1 ZINC000621677990 565437286 /nfs/dbraw/zinc/43/72/86/565437286.db2.gz BYZRZNJLHZEANX-UHFFFAOYSA-N 1 0 378.270 2.652 20 0 GFADRO COCC[C@H](Cc1cccc(Br)c1)C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000621687719 565437423 /nfs/dbraw/zinc/43/74/23/565437423.db2.gz JTLXTKLLENQYPQ-GJYPPUQNSA-N 1 0 395.341 2.984 20 0 GFADRO COC[C@H]([NH2+]Cc1ccc(F)cc1I)C1CCOCC1 ZINC000594957149 565437610 /nfs/dbraw/zinc/43/76/10/565437610.db2.gz NGFWDHDGHCMGQQ-HNNXBMFYSA-N 1 0 393.240 2.962 20 0 GFADRO C[NH+](C)CCOc1ccc(NC(=O)c2cc(Br)c[nH]c2=O)cc1 ZINC000621703941 565438486 /nfs/dbraw/zinc/43/84/86/565438486.db2.gz SRFKXKLXMKTLBR-UHFFFAOYSA-N 1 0 380.242 2.742 20 0 GFADRO O=C(NCc1cccc(Br)c1)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000663856455 565439899 /nfs/dbraw/zinc/43/98/99/565439899.db2.gz RQSVPLQLPQNROP-KRWDZBQOSA-N 1 0 396.329 2.845 20 0 GFADRO COc1cc(C[NH2+][C@@H]2C[C@]2(C)OC)cc(I)c1OC ZINC000594996020 565440645 /nfs/dbraw/zinc/44/06/45/565440645.db2.gz QJADZPUHONILMY-OCCSQVGLSA-N 1 0 377.222 2.575 20 0 GFADRO C[C@H]([NH2+]CC[C@@H]1CC1(F)F)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000621768704 565440746 /nfs/dbraw/zinc/44/07/46/565440746.db2.gz UASMCKUVBYPLPM-WCBMZHEXSA-N 1 0 383.258 2.792 20 0 GFADRO CC(C)(C[NH2+][C@@H]1CCc2ccc(I)cc21)S(C)(=O)=O ZINC000595013380 565442306 /nfs/dbraw/zinc/44/23/06/565442306.db2.gz QEPMGEWWYJTHSN-CYBMUJFWSA-N 1 0 393.290 2.691 20 0 GFADRO C[C@H](Cn1cncn1)[NH2+]CCSCCOc1cccc(Br)c1 ZINC000595020977 565443164 /nfs/dbraw/zinc/44/31/64/565443164.db2.gz WDFHFVCQUNZMIB-CYBMUJFWSA-N 1 0 385.331 2.831 20 0 GFADRO Cc1nc2n(n1)C[C@H]([NH2+][C@H]1CCc3ccc(I)cc31)CC2 ZINC000595038974 565445082 /nfs/dbraw/zinc/44/50/82/565445082.db2.gz PDQHXBRZIIJJHO-HIFRSBDPSA-N 1 0 394.260 2.783 20 0 GFADRO OC[C@H](C[NH2+][C@@H]1CCc2ccc(I)cc21)[C@@H]1CCOC1 ZINC000595054393 565445955 /nfs/dbraw/zinc/44/59/55/565445955.db2.gz NAFKUXMUBWOILJ-DVOMOZLQSA-N 1 0 387.261 2.513 20 0 GFADRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3cc4c(cc3Br)OCO4)CC[C@@H]21 ZINC000621919128 565448267 /nfs/dbraw/zinc/44/82/67/565448267.db2.gz YOBVMUDLQMHGBD-FZMZJTMJSA-N 1 0 381.270 2.734 20 0 GFADRO [NH3+][C@@]12CCC[C@H]1CN(S(=O)(=O)c1ccc(Br)c(Cl)c1)C2 ZINC000622013543 565455055 /nfs/dbraw/zinc/45/50/55/565455055.db2.gz RAFLYMHFEZBDPA-TVQRCGJNSA-N 1 0 379.707 2.604 20 0 GFADRO CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)[C@@H]1C[NH2+]CCC1(F)F ZINC000644008635 565455031 /nfs/dbraw/zinc/45/50/31/565455031.db2.gz NDIALJKCCTZJPC-JTQLQIEISA-N 1 0 380.222 2.635 20 0 GFADRO COc1cc2[nH+]ccc(N3CCC[C@@](CO)(OC)C3)c2cc1Br ZINC000664253319 565456503 /nfs/dbraw/zinc/45/65/03/565456503.db2.gz CHEOMCUWAKEPJD-QGZVFWFLSA-N 1 0 381.270 2.984 20 0 GFADRO O=C(NCc1cc(Cl)ccc1I)[C@@H]1CCC[NH2+]C1 ZINC000595255220 565459477 /nfs/dbraw/zinc/45/94/77/565459477.db2.gz BOPHWXRLNRQFSQ-SECBINFHSA-N 1 0 378.641 2.560 20 0 GFADRO [NH3+][C@@H]1CCC[C@H](CNC(=O)c2ncc(Br)cc2Br)C1 ZINC000644136413 565460602 /nfs/dbraw/zinc/46/06/02/565460602.db2.gz XIVGZTBZVOLQFT-WCBMZHEXSA-N 1 0 391.107 2.854 20 0 GFADRO C[N@@H+]1C[C@@H]2CCN(S(=O)(=O)c3ccc4cc(Br)ccc4c3)[C@@H]2C1 ZINC000644300212 565471164 /nfs/dbraw/zinc/47/11/64/565471164.db2.gz LQJSOVYPNJLDNH-WMLDXEAASA-N 1 0 395.322 2.927 20 0 GFADRO C[N@@H+]1C[C@@H]2CCN(S(=O)(=O)c3cc(Cl)ccc3OCC3CCC3)[C@@H]2C1 ZINC000644299287 565471180 /nfs/dbraw/zinc/47/11/80/565471180.db2.gz ISXSDVJYHXZLDQ-GOEBONIOSA-N 1 0 384.929 2.844 20 0 GFADRO Cc1nnc(CN(C)C(=O)NCCN2CCc3c(Cl)cccc3C2)s1 ZINC000664726455 565475378 /nfs/dbraw/zinc/47/53/78/565475378.db2.gz WGEXKFXPAUKRQX-UHFFFAOYSA-N 1 0 379.917 2.700 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)C[NH2+]C[C@H](O)Cc1ccccc1 ZINC000644533567 565479919 /nfs/dbraw/zinc/47/99/19/565479919.db2.gz MKFYGHFLTPLAJO-MRXNPFEDSA-N 1 0 377.282 2.889 20 0 GFADRO O=c1[nH]c2c(cc1C[NH2+]C[C@@H](O)COc1ccc(Br)cc1)CCC2 ZINC000644564198 565482000 /nfs/dbraw/zinc/48/20/00/565482000.db2.gz CDGIPNJQEUKMER-OAHLLOKOSA-N 1 0 393.281 2.568 20 0 GFADRO O[C@@H](C[NH2+][C@H]1CCN(c2ccccn2)C1)COc1c(Cl)cccc1Cl ZINC000644608524 565484120 /nfs/dbraw/zinc/48/41/20/565484120.db2.gz WIRWHNKOAGQAAC-KBPBESRZSA-N 1 0 382.291 2.997 20 0 GFADRO C[C@H]1C[C@@H](c2nc(-c3cnn4cc(Br)cnc34)no2)CC[N@@H+]1C ZINC000664953884 565485572 /nfs/dbraw/zinc/48/55/72/565485572.db2.gz AAZBTQYZFZLTAH-UWVGGRQHSA-N 1 0 377.246 2.740 20 0 GFADRO NC(=O)Cc1ccc(C[NH2+]C[C@H](O)COc2ccc(Cl)cc2Cl)cc1 ZINC000644649256 565487308 /nfs/dbraw/zinc/48/73/08/565487308.db2.gz PLAVACPFJVVTAP-HNNXBMFYSA-N 1 0 383.275 2.551 20 0 GFADRO COc1cccc2c1C[C@@H]([NH2+]C[C@@H](O)COc1cccc(Br)c1)C2 ZINC000644669029 565488997 /nfs/dbraw/zinc/48/89/97/565488997.db2.gz ZZFSQRSDBZCRFQ-JKSUJKDBSA-N 1 0 392.293 2.954 20 0 GFADRO COC(=O)[C@@H](c1cc(Cl)cc(Cl)c1)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000595862579 565495404 /nfs/dbraw/zinc/49/54/04/565495404.db2.gz DJUNSHCPYJOENA-IAGOWNOFSA-N 1 0 387.307 2.739 20 0 GFADRO COC(=O)[C@@H](c1ccccc1Br)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000595904724 565497796 /nfs/dbraw/zinc/49/77/96/565497796.db2.gz BUKXXBMMFCCTIA-WMLDXEAASA-N 1 0 399.329 2.706 20 0 GFADRO [NH3+]CC[C@@H](NC(=O)N1CCc2ccc(F)c(Br)c2C1)C(F)(F)F ZINC000623178832 565499456 /nfs/dbraw/zinc/49/94/56/565499456.db2.gz GZRBRMQPOYUPLK-LLVKDONJSA-N 1 0 398.198 2.936 20 0 GFADRO C[NH2+][C@@H](CC(C)(C)C)C(=O)N[C@H](C(=O)OC)c1ccccc1Br ZINC000595969036 565502261 /nfs/dbraw/zinc/50/22/61/565502261.db2.gz BHAIFEYJLGXVCK-KBPBESRZSA-N 1 0 385.302 2.804 20 0 GFADRO Cc1cc(Br)c(CNC(=O)c2cnn3c2[C@@H](C[NH3+])CCC3)s1 ZINC000595965276 565502373 /nfs/dbraw/zinc/50/23/73/565502373.db2.gz BAFOYCMOQLTLSD-SNVBAGLBSA-N 1 0 383.315 2.782 20 0 GFADRO Cc1sc2nc(CS[C@@H](C)C(=O)N[C@]3(C)CC[NH2+]C3)[nH]c(=O)c2c1C ZINC000595991414 565504725 /nfs/dbraw/zinc/50/47/25/565504725.db2.gz IOUWAGCIEFNPAS-APPDUMDISA-N 1 0 380.539 2.504 20 0 GFADRO Cc1cc(C[NH2+]C[C@H](O)COc2ccc(F)c(F)c2)ncc1Br ZINC000623406257 565508279 /nfs/dbraw/zinc/50/82/79/565508279.db2.gz QSSPUDYEVPMJAO-LBPRGKRZSA-N 1 0 387.224 2.960 20 0 GFADRO Cc1cc(C[NH2+]C[C@@H](O)COc2ccc(F)c(F)c2)ncc1Br ZINC000623406256 565508367 /nfs/dbraw/zinc/50/83/67/565508367.db2.gz QSSPUDYEVPMJAO-GFCCVEGCSA-N 1 0 387.224 2.960 20 0 GFADRO C[C@H](CCCO)[NH2+]Cc1cc(Cl)cc(Cl)c1OCCN1CCOCC1 ZINC000623444971 565510758 /nfs/dbraw/zinc/51/07/58/565510758.db2.gz YTRDFPSLOLOYBP-CQSZACIVSA-N 1 0 391.339 2.955 20 0 GFADRO C[NH+](C)CCC[C@@H]1CN(C(=O)Nc2nnc(-c3ccsc3)s2)CCO1 ZINC000665833164 565513665 /nfs/dbraw/zinc/51/36/65/565513665.db2.gz UMYMGVOZAVOBQA-CYBMUJFWSA-N 1 0 381.527 2.841 20 0 GFADRO COc1cc(CNC(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c(Br)cc1O ZINC000645172002 565514029 /nfs/dbraw/zinc/51/40/29/565514029.db2.gz DNTRBKAKOOOFKH-CHWSQXEVSA-N 1 0 398.301 2.589 20 0 GFADRO Cc1c(Br)cccc1NC(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000665947374 565518323 /nfs/dbraw/zinc/51/83/23/565518323.db2.gz KCTZPMXHAGYFAO-AWEZNQCLSA-N 1 0 382.302 2.820 20 0 GFADRO Cc1ccc(O)c(C[NH2+][C@@]2(CO)CCc3cc(Br)ccc3C2)n1 ZINC000623643936 565521782 /nfs/dbraw/zinc/52/17/82/565521782.db2.gz HUMJGOZONXTHOR-SFHVURJKSA-N 1 0 377.282 2.868 20 0 GFADRO CN(C)c1ccc(C[NH2+][C@]2(CO)CCc3cc(Br)ccc3C2)cn1 ZINC000623644956 565523474 /nfs/dbraw/zinc/52/34/74/565523474.db2.gz HXZJBJHOVVGOPC-LJQANCHMSA-N 1 0 390.325 2.920 20 0 GFADRO COc1ncc(Br)cc1CNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000623674166 565524166 /nfs/dbraw/zinc/52/41/66/565524166.db2.gz UKWSVTXNYRUKDI-GOOCMWNKSA-N 1 0 397.317 2.667 20 0 GFADRO CCCOc1c(Br)cc(C[NH2+]C[C@@H]2COCCN2C)cc1OC ZINC000623711271 565526538 /nfs/dbraw/zinc/52/65/38/565526538.db2.gz ZIWUTDOYVOLEAZ-CQSZACIVSA-N 1 0 387.318 2.667 20 0 GFADRO C[NH+](C)C1CCN(S(=O)(=O)c2cc(Cl)ccc2OC(F)(F)F)CC1 ZINC000645466066 565528076 /nfs/dbraw/zinc/52/80/76/565528076.db2.gz KXXJOWMFVUGOGK-UHFFFAOYSA-N 1 0 386.823 2.953 20 0 GFADRO C[C@H]([NH3+])[C@H]1COCC[C@@H]1NCc1cc(Cl)ccc1I ZINC000596652589 565530528 /nfs/dbraw/zinc/53/05/28/565530528.db2.gz VGTMEIAEZYHLMN-BHYNMZESSA-N 1 0 394.684 2.787 20 0 GFADRO Fc1cc(Br)cc(C[NH2+]C[C@@H]2CN(Cc3ccncc3)CCO2)c1 ZINC000623782231 565530612 /nfs/dbraw/zinc/53/06/12/565530612.db2.gz MOVHKQJTUDSRMK-GOSISDBHSA-N 1 0 394.288 2.974 20 0 GFADRO Cc1ccc(Br)cc1[C@H](C)[NH2+][C@H]1CCN(c2cnn(C)c2)C1=O ZINC000623915843 565535204 /nfs/dbraw/zinc/53/52/04/565535204.db2.gz UUTARFMWCZENLW-LRDDRELGSA-N 1 0 377.286 2.947 20 0 GFADRO C[N@@H+]1CCC[C@H](CNS(=O)(=O)CCC[C@@H]2CCOC2)[C@H]1c1cccs1 ZINC000645561680 565537981 /nfs/dbraw/zinc/53/79/81/565537981.db2.gz HIIUXRLQASRPJS-NUJGCVRESA-N 1 0 386.583 2.867 20 0 GFADRO COc1ccc(NC(=O)NCC[C@@H](C)[NH+](C)C)c(I)c1 ZINC000596877039 565539778 /nfs/dbraw/zinc/53/97/78/565539778.db2.gz OSWRNVDTMFKFGT-SNVBAGLBSA-N 1 0 391.253 2.762 20 0 GFADRO CS(=O)(=O)N1CCC([NH2+]CC/C=C/c2ccc(Br)cc2)CC1 ZINC000624046104 565539895 /nfs/dbraw/zinc/53/98/95/565539895.db2.gz WTDNJJFOXDMJAD-DUXPYHPUSA-N 1 0 387.343 2.866 20 0 GFADRO COc1ncc(S(=O)(=O)N(CC[NH+](C)C)C2CCCCC2)cc1Cl ZINC000645584218 565541467 /nfs/dbraw/zinc/54/14/67/565541467.db2.gz FRXGQHMIVMIUAS-UHFFFAOYSA-N 1 0 375.922 2.629 20 0 GFADRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NS(=O)(=O)c1ncccc1C(F)(F)F ZINC000645596817 565542786 /nfs/dbraw/zinc/54/27/86/565542786.db2.gz NOHNSSBBUHXISE-JHJVBQTASA-N 1 0 379.448 2.745 20 0 GFADRO CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]C[C@H]2CCCN2CC(F)F)cc1 ZINC000624095894 565542829 /nfs/dbraw/zinc/54/28/29/565542829.db2.gz OMHQQWJJYSDZTD-XJKSGUPXSA-N 1 0 375.485 2.828 20 0 GFADRO COCCOc1ccc(Br)cc1NC(=O)NCC[C@@H](C)[NH+](C)C ZINC000666600816 565544477 /nfs/dbraw/zinc/54/44/77/565544477.db2.gz LCCDDXCGEFBISP-GFCCVEGCSA-N 1 0 388.306 2.936 20 0 GFADRO CC(C)Sc1c(Cl)cccc1NC(=O)C(=O)N1CC[C@@H]2C[N@H+](C)C[C@@H]21 ZINC000645624328 565544949 /nfs/dbraw/zinc/54/49/49/565544949.db2.gz BCIFGUKTPNTABS-DOMZBBRYSA-N 1 0 381.929 2.942 20 0 GFADRO CS(=O)(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCc2ccc(Br)cc21 ZINC000624137569 565544926 /nfs/dbraw/zinc/54/49/26/565544926.db2.gz OKOXITKDVWXENT-ARFHVFGLSA-N 1 0 387.343 2.886 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CN(S(=O)(=O)c2cccc(Sc3ccccc3)c2)CCO1 ZINC000624358764 565552462 /nfs/dbraw/zinc/55/24/62/565552462.db2.gz SWAOYYXEANMBEJ-KSSFIOAISA-N 1 0 378.519 2.575 20 0 GFADRO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@@H]1CCN(C2CCC2)C1=O ZINC000624340480 565552497 /nfs/dbraw/zinc/55/24/97/565552497.db2.gz CQVNUYKANSYQIY-MLGOLLRUSA-N 1 0 394.313 2.909 20 0 GFADRO [NH3+]C[C@H](Cc1ccccc1)[C@H]1CCCCN1S(=O)(=O)CCC(F)(F)F ZINC000624362073 565553701 /nfs/dbraw/zinc/55/37/01/565553701.db2.gz GEDGKOMWLKJKIQ-JKSUJKDBSA-N 1 0 378.460 2.941 20 0 GFADRO Cc1c(Br)cncc1C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000666721005 565553831 /nfs/dbraw/zinc/55/38/31/565553831.db2.gz ZHHIWOKOBQDDCA-UHFFFAOYSA-N 1 0 389.297 2.942 20 0 GFADRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2c(Cl)ccc(F)c2F)CC[C@@H]1C(F)(F)F ZINC000624391937 565554918 /nfs/dbraw/zinc/55/49/18/565554918.db2.gz HBTYWWUKRYARME-SFYZADRCSA-N 1 0 392.777 2.766 20 0 GFADRO C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)c1cc(I)ccc1F ZINC000597700978 565570667 /nfs/dbraw/zinc/57/06/67/565570667.db2.gz PQRQYDDAPCBAFC-TVQRCGJNSA-N 1 0 376.213 2.595 20 0 GFADRO CS[C@H]1CN(C(=O)Cc2ccc(Br)cc2F)C[C@H]1[NH+](C)C ZINC000597445303 565561620 /nfs/dbraw/zinc/56/16/20/565561620.db2.gz GVDYWMGJTLHGEL-KGLIPLIRSA-N 1 0 375.307 2.635 20 0 GFADRO CCC[N@@H+]1CC[C@H](NC(=O)N[C@H](CCO)c2ccccc2Br)C1 ZINC000666924053 565563998 /nfs/dbraw/zinc/56/39/98/565563998.db2.gz XMRHKILUABVYDP-XJKSGUPXSA-N 1 0 384.318 2.656 20 0 GFADRO C[N@@H+]1CCCC[C@@H](CNC(=O)N[C@@H](CO)c2cccc(Br)c2)C1 ZINC000624612376 565565504 /nfs/dbraw/zinc/56/55/04/565565504.db2.gz SHYBHNPHYAORJS-BBRMVZONSA-N 1 0 384.318 2.514 20 0 GFADRO COc1ccc(C(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)c(Br)c1 ZINC000624607572 565565591 /nfs/dbraw/zinc/56/55/91/565565591.db2.gz LXCVHQBRTXIXGR-CQSZACIVSA-N 1 0 385.302 2.544 20 0 GFADRO O=C(N[C@H]1CCOc2ccc(Br)cc21)[C@H]1CCc2nc[nH]c2C1 ZINC000667053855 565567083 /nfs/dbraw/zinc/56/70/83/565567083.db2.gz VGTNWFOUOJCXTF-GWCFXTLKSA-N 1 0 376.254 2.917 20 0 GFADRO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1cccc(F)c1I ZINC000597698122 565571081 /nfs/dbraw/zinc/57/10/81/565571081.db2.gz GCCYNOHKUPVBOZ-SKDRFNHKSA-N 1 0 376.213 2.595 20 0 GFADRO C[NH+](C)C1(C(=O)N2CC[C@@H](Cc3cccc(I)c3)C2)CC1 ZINC000597712248 565572209 /nfs/dbraw/zinc/57/22/09/565572209.db2.gz MPIAASMMRZHZKB-AWEZNQCLSA-N 1 0 398.288 2.776 20 0 GFADRO C[C@@H]1C[C@@H](c2ccc(Br)cc2)CN1C(=O)NC[C@@H]1COCCN1C ZINC000624733613 565573120 /nfs/dbraw/zinc/57/31/20/565573120.db2.gz TTYUHBMRGMNIKP-FRFSOERESA-N 1 0 396.329 2.667 20 0 GFADRO CN1CCOC[C@@H]1CNC(=O)N1CCC(Sc2ccc(Cl)cc2)CC1 ZINC000624734441 565573454 /nfs/dbraw/zinc/57/34/54/565573454.db2.gz SAPBVPDARBKZPN-HNNXBMFYSA-N 1 0 383.945 2.937 20 0 GFADRO CN1CCOC[C@H]1CNC(=O)N1CCC(c2cccc(Br)c2)CC1 ZINC000624731364 565574079 /nfs/dbraw/zinc/57/40/79/565574079.db2.gz JFFJHRZQIZFFDE-QGZVFWFLSA-N 1 0 396.329 2.669 20 0 GFADRO Cc1ncc(Br)cc1NC(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000667189126 565575642 /nfs/dbraw/zinc/57/56/42/565575642.db2.gz BVAWTBDGDASJLB-AWEZNQCLSA-N 1 0 383.290 2.527 20 0 GFADRO Cc1ncc(Br)cc1NC(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000667189127 565576009 /nfs/dbraw/zinc/57/60/09/565576009.db2.gz BVAWTBDGDASJLB-CQSZACIVSA-N 1 0 383.290 2.527 20 0 GFADRO [NH3+]C1CCC(NC(=O)C(=O)Nc2cc(Br)c(F)cc2Cl)CC1 ZINC000667271748 565580535 /nfs/dbraw/zinc/58/05/35/565580535.db2.gz IJKVFAAYYVURTG-UHFFFAOYSA-N 1 0 392.656 2.566 20 0 GFADRO CC(C)[NH2+]CCCNC(=O)C(=O)Nc1ccc(Cl)c(Br)c1 ZINC000667303653 565581340 /nfs/dbraw/zinc/58/13/40/565581340.db2.gz QQTGXRZLUISKAW-UHFFFAOYSA-N 1 0 376.682 2.545 20 0 GFADRO COCCOc1ccc(Br)cc1NC(=O)NC[C@H]1CCCC[NH2+]1 ZINC000667339961 565582456 /nfs/dbraw/zinc/58/24/56/565582456.db2.gz QFRMYKLSGNRLCS-CYBMUJFWSA-N 1 0 386.290 2.738 20 0 GFADRO Cc1cc(Br)c(NC(=O)N2CCO[C@@H]([C@@H](C)[NH3+])C2)cc1Cl ZINC000667383455 565584648 /nfs/dbraw/zinc/58/46/48/565584648.db2.gz IQZLIDTWTQUJRI-NOZJJQNGSA-N 1 0 376.682 2.991 20 0 GFADRO COc1cc(Br)c(CN2CCOC3(CC[NH+](C)CC3)C2)cc1OC ZINC000646103152 565586001 /nfs/dbraw/zinc/58/60/01/565586001.db2.gz FLVCZIZYUMPZSH-UHFFFAOYSA-N 1 0 399.329 2.763 20 0 GFADRO O=C(NC[C@@H]1CCCC[NH2+]1)Nc1ccnn1Cc1cccc(Br)c1 ZINC000667432199 565586417 /nfs/dbraw/zinc/58/64/17/565586417.db2.gz JYOMVIMTUQLQNX-HNNXBMFYSA-N 1 0 392.301 2.958 20 0 GFADRO O=c1c2cnn(Cc3ccc(Cl)cc3Cl)c2ncn1C[C@H]1CC[NH2+]C1 ZINC000646069488 565586795 /nfs/dbraw/zinc/58/67/95/565586795.db2.gz DRZNIQHKKTXHMU-NSHDSACASA-N 1 0 378.263 2.558 20 0 GFADRO C[NH+](C)C1CC(NC(=O)c2cnc3c(Cl)cc(Br)cc3c2O)C1 ZINC000646108436 565586915 /nfs/dbraw/zinc/58/69/15/565586915.db2.gz BVHXNUJPBGYYPK-UHFFFAOYSA-N 1 0 398.688 2.766 20 0 GFADRO C[C@H](CNC(=O)COC1CCC([NH3+])CC1)Oc1ccc(Br)cc1 ZINC000646116193 565588408 /nfs/dbraw/zinc/58/84/08/565588408.db2.gz NPRBRGGSKTWEEZ-LRVUVFPRSA-N 1 0 385.302 2.619 20 0 GFADRO CCN(C(=O)c1ccc(I)c(O)c1)[C@H]1CC[N@H+](CC)C1 ZINC000598039370 565589859 /nfs/dbraw/zinc/58/98/59/565589859.db2.gz JAGHPKVSAZYDKZ-LBPRGKRZSA-N 1 0 388.249 2.553 20 0 GFADRO COCCN(CC[NH+](C)C)C(=O)Nc1ccc(Br)c(F)c1C ZINC000667500352 565590392 /nfs/dbraw/zinc/59/03/92/565590392.db2.gz MYCKFCXTIZWOAG-UHFFFAOYSA-N 1 0 376.270 2.939 20 0 GFADRO Cc1c(F)c(Br)ccc1NC(=O)N1CC[N@@H+](C[C@@H](C)O)C[C@H]1C ZINC000667503657 565591116 /nfs/dbraw/zinc/59/11/16/565591116.db2.gz SOSBWGXUVGKWRL-GHMZBOCLSA-N 1 0 388.281 2.815 20 0 GFADRO O=C(CCCOc1ccc(Cl)cc1Cl)N[C@@H](CO)C[NH+]1CCCC1 ZINC000646222773 565591668 /nfs/dbraw/zinc/59/16/68/565591668.db2.gz WIJBZZKDJCKRCD-CQSZACIVSA-N 1 0 375.296 2.725 20 0 GFADRO O=C(CCCOc1cccc(Cl)c1Cl)N[C@H](CO)C[NH+]1CCCC1 ZINC000646220218 565591985 /nfs/dbraw/zinc/59/19/85/565591985.db2.gz MNXKBQREZKJGOB-ZDUSSCGKSA-N 1 0 375.296 2.725 20 0 GFADRO CC(C)[C@H]1CN(C(=O)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)CC[NH2+]1 ZINC000667520658 565592489 /nfs/dbraw/zinc/59/24/89/565592489.db2.gz WLXVJWVEEHUVSF-CYBMUJFWSA-N 1 0 377.794 2.754 20 0 GFADRO O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000667538814 565593309 /nfs/dbraw/zinc/59/33/09/565593309.db2.gz ODKHUAOMMIHSFA-TVQRCGJNSA-N 1 0 375.778 2.508 20 0 GFADRO Cc1cc(NC(=O)C(=O)N2CCC3(CC[NH2+]CC3)CC2)ccc1Br ZINC000667533718 565593460 /nfs/dbraw/zinc/59/34/60/565593460.db2.gz KXORAQNPEITGMI-UHFFFAOYSA-N 1 0 394.313 2.688 20 0 GFADRO CC[C@@H]1CN(C(=O)C(=O)Nc2ccc(Br)cc2Cl)CC[C@@H]1[NH3+] ZINC000667552061 565594396 /nfs/dbraw/zinc/59/43/96/565594396.db2.gz MHAKXNGAWWBXRC-SKDRFNHKSA-N 1 0 388.693 2.627 20 0 GFADRO CC[C@H]1CN(C(=O)C(=O)Nc2ccc(C(F)(F)F)cc2Cl)CC[C@H]1[NH3+] ZINC000667552177 565594426 /nfs/dbraw/zinc/59/44/26/565594426.db2.gz UENGDDYKFRNIHF-JOYOIKCWSA-N 1 0 377.794 2.883 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)N1CN(CC[NH+](C)C)C(=O)[C@H]1C ZINC000646309987 565595135 /nfs/dbraw/zinc/59/51/35/565595135.db2.gz OLHAIGFWNZRWCI-GFCCVEGCSA-N 1 0 397.317 2.595 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)cc1Br ZINC000667580495 565595397 /nfs/dbraw/zinc/59/53/97/565595397.db2.gz ICZYZJRTGJUDHE-SFHVURJKSA-N 1 0 394.313 2.607 20 0 GFADRO Cc1c(Br)cncc1C(=O)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000667606325 565596928 /nfs/dbraw/zinc/59/69/28/565596928.db2.gz ANGDFVQXLUNDDK-UHFFFAOYSA-N 1 0 396.329 2.727 20 0 GFADRO O=C([C@@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000646337578 565597478 /nfs/dbraw/zinc/59/74/78/565597478.db2.gz HGOVRQGJXXIACP-XHBSWPGZSA-N 1 0 382.291 2.557 20 0 GFADRO O=C(Nc1ccccc1Br)C(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000667638788 565598359 /nfs/dbraw/zinc/59/83/59/565598359.db2.gz ZTODRQNCCFHQGP-KGLIPLIRSA-N 1 0 394.313 2.626 20 0 GFADRO CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@@H](C(=O)OC)c1ccccc1Br ZINC000598187834 565599950 /nfs/dbraw/zinc/59/99/50/565599950.db2.gz WPTLPSODXSXTJR-BXUZGUMPSA-N 1 0 385.302 2.946 20 0 GFADRO Cc1cc(C)c(NC(=O)N2CN(CC[NH+](C)C)C(=O)[C@@H]2C)cc1Br ZINC000646367251 565600282 /nfs/dbraw/zinc/60/02/82/565600282.db2.gz WYQRSORAQKMFQM-ZDUSSCGKSA-N 1 0 397.317 2.650 20 0 GFADRO CC(C)N1CC[NH+](C2CCN(Cc3c(F)cncc3Br)CC2)CC1 ZINC000667688699 565601495 /nfs/dbraw/zinc/60/14/95/565601495.db2.gz AUBQNUCJUASLAT-UHFFFAOYSA-N 1 0 399.352 2.974 20 0 GFADRO Cc1c(C(=O)N2CC[C@H]([NH+](C)C)[C@@H]2C)nnn1-c1cccc(Br)c1 ZINC000646476957 565604904 /nfs/dbraw/zinc/60/49/04/565604904.db2.gz ZEITWZMPRARESV-NHYWBVRUSA-N 1 0 392.301 2.503 20 0 GFADRO CCO[C@H]1C[C@@]([NH3+])(C(=O)N2CCc3cc(Br)ccc3C2)C1(C)C ZINC000646513082 565604934 /nfs/dbraw/zinc/60/49/34/565604934.db2.gz KIJINWGEURLHSP-MAUKXSAKSA-N 1 0 381.314 2.866 20 0 GFADRO COCCOC[C@H]1CC[N@@H+]([C@H]2CCc3cc(Br)ccc3NC2=O)C1 ZINC000625190224 565605742 /nfs/dbraw/zinc/60/57/42/565605742.db2.gz SWYYYSRRYVEPPQ-GUYCJALGSA-N 1 0 397.313 2.687 20 0 GFADRO O[C@@H](C[NH2+]C1(c2cccc(Br)c2)CCOCC1)CC1(O)CCC1 ZINC000625233864 565609733 /nfs/dbraw/zinc/60/97/33/565609733.db2.gz AIKWQTXPUAQRGL-MRXNPFEDSA-N 1 0 384.314 2.710 20 0 GFADRO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)c2sc3cc(F)ccc3c2Cl)C1 ZINC000646666021 565613408 /nfs/dbraw/zinc/61/34/08/565613408.db2.gz NIERJQJZRWOYIO-SNVBAGLBSA-N 1 0 383.876 2.621 20 0 GFADRO CCOCCO[C@H]1CC[N@@H+]([C@@H]2CCc3cc(Br)ccc3NC2=O)C1 ZINC000625261512 565613860 /nfs/dbraw/zinc/61/38/60/565613860.db2.gz FOMBFEOZWJDUCK-DOTOQJQBSA-N 1 0 397.313 2.830 20 0 GFADRO COCCO[C@H]1CCCN([C@H]2CCc3cc(Br)ccc3NC2=O)C1 ZINC000625272786 565614985 /nfs/dbraw/zinc/61/49/85/565614985.db2.gz VJFNVWYWTVAUMP-RDJZCZTQSA-N 1 0 397.313 2.830 20 0 GFADRO C[NH2+]C[C@@H]1CCN(C(=O)[C@H](c2ccc(Br)cc2)N2CCCC2)C1 ZINC000646709145 565615734 /nfs/dbraw/zinc/61/57/34/565615734.db2.gz SBIYVKXYVIXHFH-YOEHRIQHSA-N 1 0 380.330 2.654 20 0 GFADRO CCCN(C(=O)C(=O)Nc1ccc(Br)cc1C)[C@H]1CC[N@H+](C)C1 ZINC000646768044 565617676 /nfs/dbraw/zinc/61/76/76/565617676.db2.gz HLMSDZYKKOHMAT-AWEZNQCLSA-N 1 0 382.302 2.639 20 0 GFADRO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCN(c2cc(Cl)ccc2Cl)C1=O ZINC000646779241 565618807 /nfs/dbraw/zinc/61/88/07/565618807.db2.gz OBXBNVQXVPTELS-NJZAAPMLSA-N 1 0 384.307 2.980 20 0 GFADRO COc1ccc(Br)cc1C1(C(=O)N2CC[C@@H]3C[N@H+](C)C[C@H]32)CC1 ZINC000668005694 565618703 /nfs/dbraw/zinc/61/87/03/565618703.db2.gz JFRZCDVQEAGSBO-IUODEOHRSA-N 1 0 379.298 2.652 20 0 GFADRO Cc1cc(C(=O)N2CCO[C@@H]([C@@H](C)[NH3+])C2)nn1-c1ccc(Cl)c(Cl)c1 ZINC000646844001 565621999 /nfs/dbraw/zinc/62/19/99/565621999.db2.gz NGMTXUOKCPCPJH-BDJLRTHQSA-N 1 0 383.279 2.676 20 0 GFADRO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)Cc1ccc(Br)c(Cl)c1 ZINC000668040802 565623021 /nfs/dbraw/zinc/62/30/21/565623021.db2.gz CSVAEZGDNULLKL-NWDGAFQWSA-N 1 0 389.721 2.559 20 0 GFADRO COc1ccc(Br)c2[nH]c(C(=O)N3CC[C@@H]4C[N@H+](C)C[C@H]43)cc21 ZINC000646934538 565626491 /nfs/dbraw/zinc/62/64/91/565626491.db2.gz VAANLMWVEMAEOV-QMTHXVAHSA-N 1 0 378.270 2.715 20 0 GFADRO CC(C)[C@H]1CN(C(=O)c2ccc(F)c(I)c2)CC[NH2+]1 ZINC000598575723 565627596 /nfs/dbraw/zinc/62/75/96/565627596.db2.gz WRGQFBSUJAMPAN-CYBMUJFWSA-N 1 0 376.213 2.500 20 0 GFADRO Cc1cc(S(=O)(=O)N(C)CCCC[NH+](C)C)c(F)cc1Br ZINC000668149576 565629230 /nfs/dbraw/zinc/62/92/30/565629230.db2.gz BKKQPEGBPZCCMG-UHFFFAOYSA-N 1 0 381.311 2.859 20 0 GFADRO C[N@@H+]1CCCC[C@@H](CNS(=O)(=O)c2cc(Br)c(F)cc2F)C1 ZINC000625421530 565629595 /nfs/dbraw/zinc/62/95/95/565629595.db2.gz MNBSEAOOXZHFEG-JTQLQIEISA-N 1 0 397.285 2.738 20 0 GFADRO COc1ccc(C[C@H](CO)C[NH2+]Cc2cncc(Br)c2C)cc1O ZINC000668164732 565630935 /nfs/dbraw/zinc/63/09/35/565630935.db2.gz CNSJMVNHGUMLDX-AWEZNQCLSA-N 1 0 395.297 2.808 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000646988214 565631565 /nfs/dbraw/zinc/63/15/65/565631565.db2.gz JOEGPCSOLLXPIE-AWEZNQCLSA-N 1 0 377.286 2.815 20 0 GFADRO CC[C@@H]1CN(C(=O)c2cc(=O)[nH]c3c(Br)cccc23)CC[C@H]1[NH3+] ZINC000647007667 565631990 /nfs/dbraw/zinc/63/19/90/565631990.db2.gz FLBCVBMJNPBOOU-QMTHXVAHSA-N 1 0 378.270 2.902 20 0 GFADRO Cc1nnc([C@@H]2CC[N@@H+]([C@H]3CCc4cc(Br)ccc4NC3=O)C2)[nH]1 ZINC000625471731 565632043 /nfs/dbraw/zinc/63/20/43/565632043.db2.gz LUGZNQLXGVKWQA-DOMZBBRYSA-N 1 0 390.285 2.618 20 0 GFADRO O=C(CC[C@@H]1CCC[NH2+]C1)NCCc1ccc(I)cc1 ZINC000598668877 565633497 /nfs/dbraw/zinc/63/34/97/565633497.db2.gz QZRXURFEQFMOPR-AWEZNQCLSA-N 1 0 386.277 2.730 20 0 GFADRO O=C1Nc2ccc(Br)cc2CC[C@@H]1N1CCO[C@@]2(CCSC2)C1 ZINC000625506692 565635039 /nfs/dbraw/zinc/63/50/39/565635039.db2.gz OGYQTHAXBJDUQY-RDJZCZTQSA-N 1 0 397.338 2.910 20 0 GFADRO CC[N@H+](CCNC(=O)Nc1cc(C(F)(F)F)nn1C)CCC(F)(F)F ZINC000668254836 565636017 /nfs/dbraw/zinc/63/60/17/565636017.db2.gz IXUSCXNIKKZULX-UHFFFAOYSA-N 1 0 375.317 2.835 20 0 GFADRO O=C(NCc1n[nH]cc1Br)[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000668264877 565636126 /nfs/dbraw/zinc/63/61/26/565636126.db2.gz PGBMYROAYTWKSR-CQSZACIVSA-N 1 0 377.286 2.668 20 0 GFADRO CC[NH+]1CCN(CCNC(=O)c2ccc(OC(F)(F)F)c(Cl)c2)CC1 ZINC000625549404 565637643 /nfs/dbraw/zinc/63/76/43/565637643.db2.gz MTIRAVIABMNUOU-UHFFFAOYSA-N 1 0 379.810 2.606 20 0 GFADRO C[C@H](C(=O)Nc1ccc(Br)cc1)N1CCC([NH+]2CCOCC2)CC1 ZINC000625550659 565638166 /nfs/dbraw/zinc/63/81/66/565638166.db2.gz YAYDJFXAWYLODH-CQSZACIVSA-N 1 0 396.329 2.573 20 0 GFADRO CC[NH+]1CCN([C@@H](C)CNC(=O)c2cc(C)cc(Br)c2F)CC1 ZINC000625547618 565638200 /nfs/dbraw/zinc/63/82/00/565638200.db2.gz UDZULCLWUQMNQU-ZDUSSCGKSA-N 1 0 386.309 2.652 20 0 GFADRO C[C@H](C(=O)Nc1cccc(Br)c1)N1CCC([NH+]2CCOCC2)CC1 ZINC000625552016 565638967 /nfs/dbraw/zinc/63/89/67/565638967.db2.gz LUHOOHORENRBCA-CQSZACIVSA-N 1 0 396.329 2.573 20 0 GFADRO C[C@H]1C[C@@H]([NH2+]CC(C)(C)S(=O)(=O)c2ccc(Br)cc2)CO1 ZINC000647184600 565643997 /nfs/dbraw/zinc/64/39/97/565643997.db2.gz RIQYCDHJOAKTJE-WCQYABFASA-N 1 0 376.316 2.768 20 0 GFADRO OCCC[N@@H+]1CCC[C@@H]1CNCc1cc(OC(F)F)ccc1Br ZINC000647213899 565645769 /nfs/dbraw/zinc/64/57/69/565645769.db2.gz DOIDESGCVNJFCP-CYBMUJFWSA-N 1 0 393.272 2.987 20 0 GFADRO C[C@@H]([NH2+]Cc1cc(OC(F)F)ccc1Br)[C@@H]1CN(C)CCO1 ZINC000647193499 565646401 /nfs/dbraw/zinc/64/64/01/565646401.db2.gz CCDJZFFERVDODJ-YGRLFVJLSA-N 1 0 379.245 2.859 20 0 GFADRO Cc1cc(Br)cc(S(=O)(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000647238342 565648407 /nfs/dbraw/zinc/64/84/07/565648407.db2.gz KUTKNTAKYJMUOQ-BBRMVZONSA-N 1 0 387.343 2.910 20 0 GFADRO O=S(=O)(c1cc(F)ccc1Br)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000647238849 565648602 /nfs/dbraw/zinc/64/86/02/565648602.db2.gz WSBZONMQBIDUMA-BXUZGUMPSA-N 1 0 391.306 2.741 20 0 GFADRO CC[C@@H]1CN(S(=O)(=O)c2cccc(Br)c2Cl)CC[C@@H]1[NH3+] ZINC000647268494 565651645 /nfs/dbraw/zinc/65/16/45/565651645.db2.gz CYCGPWRUWZUAMV-KOLCDFICSA-N 1 0 381.723 2.850 20 0 GFADRO CCOC(=O)c1csc(CC[NH2+]Cc2ncc(Br)cc2F)n1 ZINC000598978937 565651682 /nfs/dbraw/zinc/65/16/82/565651682.db2.gz XSVITEZFTVNNNS-UHFFFAOYSA-N 1 0 388.262 2.949 20 0 GFADRO CC[C@@H]1CN(S(=O)(=O)Cc2cc(Cl)ccc2Br)CC[C@H]1[NH3+] ZINC000647270207 565651752 /nfs/dbraw/zinc/65/17/52/565651752.db2.gz RWJUMNAGHWMXMG-QMTHXVAHSA-N 1 0 395.750 2.992 20 0 GFADRO CC[C@H]1CN(S(=O)(=O)c2cc(Br)c(F)cc2C)CC[C@@H]1[NH3+] ZINC000647269380 565651814 /nfs/dbraw/zinc/65/18/14/565651814.db2.gz RLYKJSWLDJYZFW-GWCFXTLKSA-N 1 0 379.295 2.645 20 0 GFADRO C[C@]1(CNS(=O)(=O)Cc2ccc(Br)cc2Cl)CCC[NH2+]C1 ZINC000647282462 565654180 /nfs/dbraw/zinc/65/41/80/565654180.db2.gz ZQRPWKJQHIKZFB-AWEZNQCLSA-N 1 0 395.750 2.912 20 0 GFADRO COc1ccc(CCC(=O)N(C)[C@@H]2C[NH+]3CCC2CC3)c(Br)c1 ZINC000668587958 565655022 /nfs/dbraw/zinc/65/50/22/565655022.db2.gz BVQMVXQXWMGFTQ-QGZVFWFLSA-N 1 0 381.314 2.943 20 0 GFADRO C[C@@H]1NC(=O)N(CC[N@@H+]2CC[C@@H](Sc3ccc(Br)cc3)C2)C1=O ZINC000625701148 565655169 /nfs/dbraw/zinc/65/51/69/565655169.db2.gz NMJISGPAJVETHO-SMDDNHRTSA-N 1 0 398.326 2.556 20 0 GFADRO CN1CC(=O)N(CC[N@@H+]2CC[C@H](Sc3ccc(Br)cc3)C2)C1=O ZINC000625701513 565655593 /nfs/dbraw/zinc/65/55/93/565655593.db2.gz OZYQEASNIWYRAF-AWEZNQCLSA-N 1 0 398.326 2.510 20 0 GFADRO O=S(=O)(c1c[nH]c2nccc(Cl)c12)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647308864 565656373 /nfs/dbraw/zinc/65/63/73/565656373.db2.gz WRWBLNWRCDVOIC-STQMWFEESA-N 1 0 382.917 2.617 20 0 GFADRO COc1ccc(S(=O)(=O)N2CCC([NH2+]C[C@@H](C)CC(F)F)CC2)cc1 ZINC000647319269 565656964 /nfs/dbraw/zinc/65/69/64/565656964.db2.gz UGTNUUVRWGXZTF-ZDUSSCGKSA-N 1 0 376.469 2.729 20 0 GFADRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+]C[C@@H]2CSc3ccccc3O2)cc1 ZINC000647314038 565656987 /nfs/dbraw/zinc/65/69/87/565656987.db2.gz INCCNBMJINRUGK-DZGCQCFKSA-N 1 0 378.519 2.799 20 0 GFADRO O=S(=O)(NCCC[C@H]1CCC[NH2+]1)c1c(Cl)cccc1Br ZINC000647321080 565657137 /nfs/dbraw/zinc/65/71/37/565657137.db2.gz VFSLHLAWRIBYBB-SNVBAGLBSA-N 1 0 381.723 2.913 20 0 GFADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@@H](CCO)c1ccccc1F ZINC000647344920 565657554 /nfs/dbraw/zinc/65/75/54/565657554.db2.gz BJWOAZBZZIJTHG-WBMJQRKESA-N 1 0 383.261 2.852 20 0 GFADRO [NH3+]C[C@@H]1CC[C@H](NS(=O)(=O)Cc2ccc(Br)cc2Cl)C1 ZINC000647324534 565658163 /nfs/dbraw/zinc/65/81/63/565658163.db2.gz ZFKWMGXKHIKDCX-SKDRFNHKSA-N 1 0 381.723 2.649 20 0 GFADRO C[N@H+](C[C@@H](O)COc1ccc(Cl)cc1Br)CC1(C)COC1 ZINC000625788061 565658295 /nfs/dbraw/zinc/65/82/95/565658295.db2.gz IUVOKTHVPMLLCA-GFCCVEGCSA-N 1 0 378.694 2.811 20 0 GFADRO CC[NH+]1CCN([C@H](C)CNC(=O)c2cc3cc(Br)sc3[nH]2)CC1 ZINC000668673886 565660472 /nfs/dbraw/zinc/66/04/72/565660472.db2.gz BMAWLMVKEBTFPJ-LLVKDONJSA-N 1 0 399.358 2.748 20 0 GFADRO CCCn1c(C)nnc1C[NH2+][C@]1(CO)CCc2cc(Br)ccc2C1 ZINC000625796093 565660938 /nfs/dbraw/zinc/66/09/38/565660938.db2.gz FEMZYCIXDCRTSZ-GOSISDBHSA-N 1 0 393.329 2.769 20 0 GFADRO CN(C)C(=O)N(C)[C@@H]1CC[N@H+](CC2=Cc3cc(Br)ccc3OC2)C1 ZINC000668689141 565661254 /nfs/dbraw/zinc/66/12/54/565661254.db2.gz WWOVKTIQHJJKPB-MRXNPFEDSA-N 1 0 394.313 2.913 20 0 GFADRO OCC1(C[NH2+]C[C@H](O)COc2ccc(Cl)cc2Br)CCC1 ZINC000647523486 565662781 /nfs/dbraw/zinc/66/27/81/565662781.db2.gz RBHPRHVUDUXDQF-LBPRGKRZSA-N 1 0 378.694 2.594 20 0 GFADRO CC[C@H]([NH2+]C[C@H](O)COc1cccc(C(F)(F)F)c1)[C@H](O)C(F)(F)F ZINC000647529431 565662939 /nfs/dbraw/zinc/66/29/39/565662939.db2.gz COUONEJRVMVODE-DRZSPHRISA-N 1 0 375.309 2.737 20 0 GFADRO COCCOc1ccc(Br)cc1NC(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000625875976 565663178 /nfs/dbraw/zinc/66/31/78/565663178.db2.gz QUYHQRGZHXYRRZ-DGCLKSJQSA-N 1 0 386.290 2.736 20 0 GFADRO CN(CCOCC[NH3+])C(=O)Nc1ccc(C(F)(F)F)cc1Br ZINC000625872244 565663249 /nfs/dbraw/zinc/66/32/49/565663249.db2.gz PZSLFTDJZDDJQG-UHFFFAOYSA-N 1 0 384.196 2.907 20 0 GFADRO OC[C@H](C[NH2+]C[C@@H](O)Cc1ccccc1)Cc1cc(Br)ccc1F ZINC000647536909 565664063 /nfs/dbraw/zinc/66/40/63/565664063.db2.gz ZCTDIIBEJAMNEG-YJBOKZPZSA-N 1 0 396.300 2.932 20 0 GFADRO COc1sc(CN2CCC([N@@H+]3CC[C@H](O)C3)CC2)cc1Br ZINC000668738501 565664337 /nfs/dbraw/zinc/66/43/37/565664337.db2.gz DZKLEKNQFVMZLZ-LBPRGKRZSA-N 1 0 375.332 2.550 20 0 GFADRO O=C(NCCCN1CC[NH2+]CC1)Nc1cc(Cl)c(Br)cc1F ZINC000625901642 565665458 /nfs/dbraw/zinc/66/54/58/565665458.db2.gz RBPDHBZYCJVFTQ-UHFFFAOYSA-N 1 0 393.688 2.658 20 0 GFADRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)N1CCC(Sc2ccc(Cl)cc2)CC1 ZINC000647597827 565665415 /nfs/dbraw/zinc/66/54/15/565665415.db2.gz RWCCNEJSTJSVJU-CHWSQXEVSA-N 1 0 383.945 2.665 20 0 GFADRO [NH3+]CC[C@@H](NC(=O)NCc1ccc(Br)c(F)c1F)C(F)(F)F ZINC000625898614 565665549 /nfs/dbraw/zinc/66/55/49/565665549.db2.gz WKVKUSMMUIFWRF-MRVPVSSYSA-N 1 0 390.150 2.806 20 0 GFADRO COC(=O)[C@]1(C)CC[N@@H+]([C@H]2CCc3cc(Br)ccc3NC2=O)C1 ZINC000599312844 565667937 /nfs/dbraw/zinc/66/79/37/565667937.db2.gz USYUGWLYHBMPBA-WMLDXEAASA-N 1 0 381.270 2.587 20 0 GFADRO O=C(Cc1ccc(Br)c(F)c1)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000647666177 565670562 /nfs/dbraw/zinc/67/05/62/565670562.db2.gz GHGCZGHTKLVGMJ-OAHLLOKOSA-N 1 0 399.304 2.844 20 0 GFADRO C[C@@H]1C[C@H](c2ccc(Br)cc2)C[N@@H+]1CC(=O)NC[C@H]1CCCO1 ZINC000626039968 565672313 /nfs/dbraw/zinc/67/23/13/565672313.db2.gz SOSBLVNVQNKULX-UKPHBRMFSA-N 1 0 381.314 2.922 20 0 GFADRO C[C@@H]1CN(C(=O)C[NH2+][C@@H](CCO)c2cc(Cl)cc(Cl)c2)C[C@H](C)O1 ZINC000626100669 565675377 /nfs/dbraw/zinc/67/53/77/565675377.db2.gz VKLFXLNHAXEHQR-OZVIIMIRSA-N 1 0 375.296 2.642 20 0 GFADRO C[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000599400399 565675846 /nfs/dbraw/zinc/67/58/46/565675846.db2.gz NIBKAXSWKKIPJB-PBHICJAKSA-N 1 0 380.330 2.876 20 0 GFADRO C[C@@H]1C[C@H](CO)CC[N@@H+]1C[C@H](O)COc1ccc(Cl)cc1Br ZINC000626118652 565676115 /nfs/dbraw/zinc/67/61/15/565676115.db2.gz GRNKJEIKVOVIEI-BZPMIXESSA-N 1 0 392.721 2.935 20 0 GFADRO CCOC(=O)c1cc(Cl)cc(S(=O)(=O)NC[C@@H]2CCCC[N@H+](C)C2)c1 ZINC000599415384 565677316 /nfs/dbraw/zinc/67/73/16/565677316.db2.gz NYLXMRLSYRAREH-ZDUSSCGKSA-N 1 0 388.917 2.527 20 0 GFADRO Cc1noc([C@@H]2OCC[C@@H]2[NH2+]C[C@@H](O)COc2ccc(Cl)c(Cl)c2)n1 ZINC000626146135 565678176 /nfs/dbraw/zinc/67/81/76/565678176.db2.gz PXWKPWZBQICZKV-WKPIXPDZSA-N 1 0 388.251 2.544 20 0 GFADRO Cc1ccc(CC(=O)N2CCOC[C@@H]2[C@H]2CCC[N@H+]2C)cc1Br ZINC000647822154 565678334 /nfs/dbraw/zinc/67/83/34/565678334.db2.gz QXUNZIULAFNORL-IAGOWNOFSA-N 1 0 381.314 2.622 20 0 GFADRO C[C@H](CCNC(=O)C(=O)NCc1ccc(Cl)c(Cl)c1)[NH+]1CCCCC1 ZINC000669202356 565681476 /nfs/dbraw/zinc/68/14/76/565681476.db2.gz ATDOOPKEESDAFS-CYBMUJFWSA-N 1 0 386.323 2.990 20 0 GFADRO O=C(Nc1ncc(Cc2ccc(Br)cc2)s1)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000647915943 565683714 /nfs/dbraw/zinc/68/37/14/565683714.db2.gz GXFRFNCOIIDECK-WDNDVIMCSA-N 1 0 378.295 2.900 20 0 GFADRO C[C@H](CNC(=O)[C@H]1CCc2nc[nH]c2C1)Oc1cccc(Br)c1 ZINC000669314292 565684795 /nfs/dbraw/zinc/68/47/95/565684795.db2.gz GUWLZAINEFUBHH-NEPJUHHUSA-N 1 0 378.270 2.861 20 0 GFADRO O=C(NCC[N@H+]1CC[C@H](O)C1)Nc1ncc(Cc2ccccc2Cl)s1 ZINC000626228776 565685141 /nfs/dbraw/zinc/68/51/41/565685141.db2.gz JKAYBKMXABOZTE-ZDUSSCGKSA-N 1 0 380.901 2.575 20 0 GFADRO CCSc1ccc(CC(=O)NC[C@@](C)(O)C[NH+](C)C)c(Br)c1 ZINC000626248360 565686291 /nfs/dbraw/zinc/68/62/91/565686291.db2.gz JFMJEFOLERSCPW-MRXNPFEDSA-N 1 0 389.359 2.532 20 0 GFADRO O=C([C@H]1C[NH2+]CCC1(F)F)N1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000648016884 565686896 /nfs/dbraw/zinc/68/68/96/565686896.db2.gz KXSAMVOCZGCISY-ZIAGYGMSSA-N 1 0 389.240 2.594 20 0 GFADRO CC[C@H]1CN(C(=O)NCCC(=O)Nc2ccc(Br)cc2)CC[C@H]1[NH3+] ZINC000669403687 565687105 /nfs/dbraw/zinc/68/71/05/565687105.db2.gz BLLRHBMSGGUHAC-SWLSCSKDSA-N 1 0 397.317 2.547 20 0 GFADRO NC(=O)NC(=O)CCC[N@@H+]1CC[C@H](Sc2ccc(Br)cc2)C1 ZINC000599526497 565687335 /nfs/dbraw/zinc/68/73/35/565687335.db2.gz NFVUDPGVDLDZNT-ZDUSSCGKSA-N 1 0 386.315 2.591 20 0 GFADRO C[C@@H](O)C[NH+]1CCN(Cc2cc(OC(F)F)ccc2Br)CC1 ZINC000648006608 565687630 /nfs/dbraw/zinc/68/76/30/565687630.db2.gz OQQXBZGHKIWERG-LLVKDONJSA-N 1 0 379.245 2.549 20 0 GFADRO O=C(NCCOc1ccc(Br)cc1)NCc1ccc2c(c1)C[NH2+]C2 ZINC000669420697 565687798 /nfs/dbraw/zinc/68/77/98/565687798.db2.gz FSEFRICUGJOUST-UHFFFAOYSA-N 1 0 390.281 2.931 20 0 GFADRO [NH3+]C[C@@H]1CCCN(C(=O)NC[C@H]2CCN(c3cccc(Br)c3)C2)C1 ZINC000669411039 565687995 /nfs/dbraw/zinc/68/79/95/565687995.db2.gz PGIDVEBOSKFSBW-LSDHHAIUSA-N 1 0 395.345 2.656 20 0 GFADRO Cn1cnnc1Sc1ccc(NC(=O)[C@@H]2C[NH2+]CCC2(F)F)cc1Cl ZINC000648044919 565688432 /nfs/dbraw/zinc/68/84/32/565688432.db2.gz HGDMRJGFEIJXRU-JTQLQIEISA-N 1 0 387.843 2.803 20 0 GFADRO COC(=O)[C@]1(OC)CC[N@H+](CCC(=O)Nc2c(Cl)cccc2Cl)C1 ZINC000599569428 565689353 /nfs/dbraw/zinc/68/93/53/565689353.db2.gz MJNVJVAXRPHWFH-INIZCTEOSA-N 1 0 375.252 2.586 20 0 GFADRO Cc1cc(Br)cn2c(CN3CCOC4(CC[NH+](C)CC4)C3)cnc12 ZINC000648072195 565690115 /nfs/dbraw/zinc/69/01/15/565690115.db2.gz QPPXNOXKPCBGFA-UHFFFAOYSA-N 1 0 393.329 2.702 20 0 GFADRO COCC1(CNC(=O)NCCCc2cccc(Br)c2)CC[NH2+]CC1 ZINC000669471049 565690634 /nfs/dbraw/zinc/69/06/34/565690634.db2.gz IYQWBJDILHJNKV-UHFFFAOYSA-N 1 0 398.345 2.697 20 0 GFADRO COC(=O)[C@@]1(NCC[C@@H]2CCC[N@@H+]2C)CCc2cc(Br)ccc2C1 ZINC000599595749 565691649 /nfs/dbraw/zinc/69/16/49/565691649.db2.gz XNJMCRPUIGLCJR-PKOBYXMFSA-N 1 0 395.341 2.924 20 0 GFADRO COc1ccc(I)c(NC(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)c1 ZINC000599600166 565691843 /nfs/dbraw/zinc/69/18/43/565691843.db2.gz ZIVIWHOGJJBNRP-NXEZZACHSA-N 1 0 389.237 2.562 20 0 GFADRO CC(C)([NH3+])CCC(=O)N1CCN(Cc2cc(Br)ccc2F)CC1 ZINC000648174537 565692095 /nfs/dbraw/zinc/69/20/95/565692095.db2.gz IMPMISRCYCOYLJ-UHFFFAOYSA-N 1 0 386.309 2.750 20 0 GFADRO C[C@@H]1CC[C@@H](NC(=O)Nc2ccc(I)cc2F)C[NH2+]1 ZINC000599607074 565692270 /nfs/dbraw/zinc/69/22/70/565692270.db2.gz KBZWLIDZQBRJNE-PSASIEDQSA-N 1 0 377.201 2.692 20 0 GFADRO CN1CC[C@H](NC(=O)[C@@H]2C[NH2+]CCC2(F)F)[C@H]1c1ccc(Cl)c(F)c1 ZINC000648162086 565692409 /nfs/dbraw/zinc/69/24/09/565692409.db2.gz IGWCWZLECCLWAB-TUKIKUTGSA-N 1 0 375.822 2.585 20 0 GFADRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)Nc1ccc(I)cc1F ZINC000599606836 565692870 /nfs/dbraw/zinc/69/28/70/565692870.db2.gz GNAIGAYIRHHJBY-CMPLNLGQSA-N 1 0 377.201 2.692 20 0 GFADRO COc1cc(Br)ccc1CNC(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000669565638 565693474 /nfs/dbraw/zinc/69/34/74/565693474.db2.gz MEEYGDBGRDMWFS-UXIGCNINSA-N 1 0 382.302 2.645 20 0 GFADRO CCn1c(CNC(=O)NC[C@@H]2CCCC[NH2+]2)nc2cc(Br)ccc21 ZINC000669569876 565693665 /nfs/dbraw/zinc/69/36/65/565693665.db2.gz OQZVIIIIHGJPQZ-ZDUSSCGKSA-N 1 0 394.317 2.760 20 0 GFADRO C[C@H]([NH3+])[C@H]1CN(C(=O)NCc2cnc(-c3ccc(Cl)cc3)s2)CCO1 ZINC000669583085 565694190 /nfs/dbraw/zinc/69/41/90/565694190.db2.gz LEVZJQYJYKPKFR-XHDPSFHLSA-N 1 0 380.901 2.721 20 0 GFADRO C[C@H]([NH3+])CNC(=O)NC[C@@H](c1ccc(Cl)cc1)N(C)CCC(F)(F)F ZINC000669582576 565694437 /nfs/dbraw/zinc/69/44/37/565694437.db2.gz AIHYAYGKIZVJFQ-FZMZJTMJSA-N 1 0 380.842 2.912 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CN(C(=O)NCC2(c3ccccc3Br)CCC2)CCO1 ZINC000669590245 565694681 /nfs/dbraw/zinc/69/46/81/565694681.db2.gz NXCQDBGWPYEMIE-CZUORRHYSA-N 1 0 396.329 2.628 20 0 GFADRO COC(=O)CN(C)C(=O)CC[N@@H+]1C[C@@H](c2ccc(Br)cc2)C[C@@H]1C ZINC000599653878 565695044 /nfs/dbraw/zinc/69/50/44/565695044.db2.gz WIIAWFOHDHAWRH-ZFWWWQNUSA-N 1 0 397.313 2.648 20 0 GFADRO COC(=O)c1cc(NC(=O)NC[C@H]2CCC[N@@H+]2C)c(Br)cc1F ZINC000599747228 565699212 /nfs/dbraw/zinc/69/92/12/565699212.db2.gz ISODNSNTCWZONK-SECBINFHSA-N 1 0 388.237 2.591 20 0 GFADRO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)c1c2ccc(Br)cc2nn1C ZINC000648296077 565700550 /nfs/dbraw/zinc/70/05/50/565700550.db2.gz KWGKCCOUNAJVLH-HNNXBMFYSA-N 1 0 379.302 2.748 20 0 GFADRO CC[N@@H+]1CCN(c2nnc(COc3ccc(Br)cc3)n2C)C[C@H]1C ZINC000669791268 565702397 /nfs/dbraw/zinc/70/23/97/565702397.db2.gz TWFVUMIGYSFHBM-CYBMUJFWSA-N 1 0 394.317 2.687 20 0 GFADRO CC(C)[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000669907105 565706346 /nfs/dbraw/zinc/70/63/46/565706346.db2.gz PTCIBQNQPIJLJK-AXAPSJFSSA-N 1 0 383.945 2.755 20 0 GFADRO Cc1cccc(CC(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)c1Br ZINC000626667059 565707972 /nfs/dbraw/zinc/70/79/72/565707972.db2.gz IZHGQLVNNOHHHB-OAHLLOKOSA-N 1 0 383.330 2.917 20 0 GFADRO CC[C@@H]1C[N@H+](CC)CCN1C(=O)c1c2ccc(Br)cc2nn1C ZINC000648411039 565712364 /nfs/dbraw/zinc/71/23/64/565712364.db2.gz SMTKFVSJOFGLKH-CYBMUJFWSA-N 1 0 379.302 2.892 20 0 GFADRO C[C@@H](CCc1ccc(Br)cc1)NC(=O)NC1(C[NH3+])CCOCC1 ZINC000626946672 565716096 /nfs/dbraw/zinc/71/60/96/565716096.db2.gz WDWNTWURQXTQMY-ZDUSSCGKSA-N 1 0 384.318 2.577 20 0 GFADRO Cc1ccc(Br)c(S(=O)(=O)NCC[NH2+]Cc2ccncc2C)c1 ZINC000648583387 565717986 /nfs/dbraw/zinc/71/79/86/565717986.db2.gz YLEZTMHTAQQMRK-UHFFFAOYSA-N 1 0 398.326 2.529 20 0 GFADRO C[NH2+]CCOCCNC(=O)NCCc1csc(-c2ccc(Cl)cc2)n1 ZINC000627005568 565719195 /nfs/dbraw/zinc/71/91/95/565719195.db2.gz DGHQRQGTFMLGFM-UHFFFAOYSA-N 1 0 382.917 2.541 20 0 GFADRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O ZINC000627018926 565719770 /nfs/dbraw/zinc/71/97/70/565719770.db2.gz KFACWFLXZYYKFG-ZLKJLUDKSA-N 1 0 385.295 2.538 20 0 GFADRO CCn1c(CNC(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)nc2cc(Br)ccc21 ZINC000627019877 565719841 /nfs/dbraw/zinc/71/98/41/565719841.db2.gz SZBHFAIIZSSSLI-YPMHNXCESA-N 1 0 394.317 2.758 20 0 GFADRO Cc1cc(Br)ccc1[C@H]1CCCN1C(=O)NCCN1CC[NH2+]CC1 ZINC000627065179 565720804 /nfs/dbraw/zinc/72/08/04/565720804.db2.gz AMCAOKDDYGCGTD-QGZVFWFLSA-N 1 0 395.345 2.509 20 0 GFADRO [NH3+]C1(CNC(=O)NCC2(Cc3ccc(Br)cc3)CC2)CCOCC1 ZINC000627116442 565721399 /nfs/dbraw/zinc/72/13/99/565721399.db2.gz ZSGOCVXARFTFAL-UHFFFAOYSA-N 1 0 396.329 2.579 20 0 GFADRO O=C(COc1ccccc1Br)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000670392485 565721692 /nfs/dbraw/zinc/72/16/92/565721692.db2.gz BCURPKXPSHTGBS-HNNXBMFYSA-N 1 0 397.313 2.541 20 0 GFADRO O=C(c1c(F)cccc1Br)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000670389809 565721776 /nfs/dbraw/zinc/72/17/76/565721776.db2.gz NEMJAWCMVPKVKB-ZDUSSCGKSA-N 1 0 385.277 2.915 20 0 GFADRO O=C(c1cc(Br)ccc1F)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000670394082 565721990 /nfs/dbraw/zinc/72/19/90/565721990.db2.gz SHCQGZPERWPXGW-CQSZACIVSA-N 1 0 385.277 2.915 20 0 GFADRO C[NH2+]CCOCCNC(=O)N[C@@H]1CCCCc2cc(Br)ccc21 ZINC000627117952 565722658 /nfs/dbraw/zinc/72/26/58/565722658.db2.gz MXHZHCLXQZQGKZ-MRXNPFEDSA-N 1 0 384.318 2.752 20 0 GFADRO [NH3+]CC1(NC(=O)NCC/C=C/c2ccc(Br)cc2)CCOCC1 ZINC000627123711 565722944 /nfs/dbraw/zinc/72/29/44/565722944.db2.gz XYCQSBWTNJOTDV-HNQUOIGGSA-N 1 0 382.302 2.660 20 0 GFADRO C[NH2+]CCOCCNC(=O)N1CCC[C@H]1c1ccc(Br)cc1C ZINC000627169270 565725206 /nfs/dbraw/zinc/72/52/06/565725206.db2.gz HADCWWTVFNNFBA-INIZCTEOSA-N 1 0 384.318 2.840 20 0 GFADRO C[C@@H]1C[C@H](N(C)C(=O)C(=O)NCCc2ccc(Cl)cc2Cl)CC[N@@H+]1C ZINC000670495744 565725697 /nfs/dbraw/zinc/72/56/97/565725697.db2.gz RSZQFTXBTCIYGE-IUODEOHRSA-N 1 0 386.323 2.593 20 0 GFADRO CC(C)CN(CC[NH+](C)C)C(=O)C(=O)NCCc1ccc(Cl)cc1Cl ZINC000670495853 565725735 /nfs/dbraw/zinc/72/57/35/565725735.db2.gz VKBIUTLRTLQHRA-UHFFFAOYSA-N 1 0 388.339 2.698 20 0 GFADRO CC[C@H](Cc1ccccc1Br)N(C)C(=O)NCCOCCC[NH3+] ZINC000627217023 565727610 /nfs/dbraw/zinc/72/76/10/565727610.db2.gz ZWSHGQIMCPLYKW-OAHLLOKOSA-N 1 0 386.334 2.777 20 0 GFADRO O=C(CCCc1ccc(Br)s1)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000627254178 565729026 /nfs/dbraw/zinc/72/90/26/565729026.db2.gz PJLBSSISYFSVJP-QWHCGFSZSA-N 1 0 387.343 2.501 20 0 GFADRO Cc1cc(Br)c(C(=O)N2CC[C@@H]([N@@H+]3CC[C@H](O)C3)C2)cc1Cl ZINC000627267029 565729699 /nfs/dbraw/zinc/72/96/99/565729699.db2.gz ITAQRJQSWZEEFH-NEPJUHHUSA-N 1 0 387.705 2.692 20 0 GFADRO O=C(c1cc(Cl)c(Br)cc1F)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000627269383 565729916 /nfs/dbraw/zinc/72/99/16/565729916.db2.gz RKQZAGZADOLVOE-UWVGGRQHSA-N 1 0 391.668 2.523 20 0 GFADRO CC[NH+](CC)CCNC(=O)C(=O)Nc1ccc(SC)c(Br)c1 ZINC000627340965 565734022 /nfs/dbraw/zinc/73/40/22/565734022.db2.gz VWAODOOAQFSOMF-UHFFFAOYSA-N 1 0 388.331 2.568 20 0 GFADRO CCn1c(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)nc2cc(Br)ccc21 ZINC000648879085 565736594 /nfs/dbraw/zinc/73/65/94/565736594.db2.gz XELZVHXKCUPPFG-DGCLKSJQSA-N 1 0 379.302 2.775 20 0 GFADRO C[C@@H]1[C@H](C(=O)Nc2cc(N3CCOCC3)ccc2Br)CC[N@@H+]1C ZINC000648922281 565739398 /nfs/dbraw/zinc/73/93/98/565739398.db2.gz DDFDWPHARDLNFR-TZMCWYRMSA-N 1 0 382.302 2.564 20 0 GFADRO C[C@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)c1c(Br)cnn1C ZINC000649039998 565745071 /nfs/dbraw/zinc/74/50/71/565745071.db2.gz LRJBMCNIZIOGLF-AWEZNQCLSA-N 1 0 391.313 2.919 20 0 GFADRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)[C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 ZINC000649074341 565746244 /nfs/dbraw/zinc/74/62/44/565746244.db2.gz GMQLFGALOYMTAS-RLCCDNCMSA-N 1 0 384.307 2.675 20 0 GFADRO C[NH+]1CCC2(CC1)CN(C(=O)CCOc1ccccc1Br)CCO2 ZINC000649134222 565750998 /nfs/dbraw/zinc/75/09/98/565750998.db2.gz RBTYYHRGGDMOKJ-UHFFFAOYSA-N 1 0 397.313 2.541 20 0 GFADRO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@@](C)(CO)Cc1ccccc1 ZINC000671121966 565752736 /nfs/dbraw/zinc/75/27/36/565752736.db2.gz JYCUBHHZHMZAID-KXBFYZLASA-N 1 0 393.325 2.830 20 0 GFADRO O=C(NC[C@@H]1CC[N@@H+]1C1CCCC1)C(=O)Nc1ccc(Br)c(F)c1 ZINC000627906797 565761270 /nfs/dbraw/zinc/76/12/70/565761270.db2.gz GUFBHBNIELNYRT-ZDUSSCGKSA-N 1 0 398.276 2.660 20 0 GFADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)c3scc(Br)c3C)C2)CC1 ZINC000601042791 565763700 /nfs/dbraw/zinc/76/37/00/565763700.db2.gz JLORUGHUSKAXJX-CYBMUJFWSA-N 1 0 386.359 2.671 20 0 GFADRO O=C(NCC1([NH+]2CCSCC2)CCCC1)c1nscc1Br ZINC000649608931 565768436 /nfs/dbraw/zinc/76/84/36/565768436.db2.gz SMFGXYPWGSQJHM-UHFFFAOYSA-N 1 0 390.372 2.997 20 0 GFADRO CC(C)O[C@H]1CCC[N@H+](Cc2cc(=O)n3cc(Br)ccc3n2)C1 ZINC000649701723 565773938 /nfs/dbraw/zinc/77/39/38/565773938.db2.gz LBSCLRCUQPVDBI-HNNXBMFYSA-N 1 0 380.286 2.846 20 0 GFADRO CCN(C1CC[NH+](CCc2cccc(C(F)(F)F)c2)CC1)S(C)(=O)=O ZINC000628170589 565777471 /nfs/dbraw/zinc/77/74/71/565777471.db2.gz FSIVPSBVHXQIRA-UHFFFAOYSA-N 1 0 378.460 2.994 20 0 GFADRO CC[C@H]1CN(S(C)(=O)=O)CC[C@@H]1[NH2+]CCc1cccc(C(F)(F)F)c1 ZINC000628220282 565780276 /nfs/dbraw/zinc/78/02/76/565780276.db2.gz RHGMNZWNSDPFTJ-HOCLYGCPSA-N 1 0 378.460 2.898 20 0 GFADRO CN(C)S(=O)(=O)[C@@H]1CCC[N@H+](CCCc2ccc(C(F)(F)F)cc2)C1 ZINC000671699399 565781090 /nfs/dbraw/zinc/78/10/90/565781090.db2.gz DOQVYAMORXBIJJ-MRXNPFEDSA-N 1 0 378.460 2.994 20 0 GFADRO Cc1n[nH]cc1[C@H](C)[NH2+]CCNS(=O)(=O)c1cccc(Cl)c1Cl ZINC000671766667 565785063 /nfs/dbraw/zinc/78/50/63/565785063.db2.gz ONMWMOHTUUYNEW-VIFPVBQESA-N 1 0 377.297 2.654 20 0 GFADRO CCC1([NH+]2CCCC2)CCN(S(=O)(=O)c2ccc(C(=O)OC)s2)CC1 ZINC000601497492 565787148 /nfs/dbraw/zinc/78/71/48/565787148.db2.gz YRVAICLOOSJLBX-UHFFFAOYSA-N 1 0 386.539 2.564 20 0 GFADRO C[C@@H](NC(=O)C(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C)c1ccsc1 ZINC000671985261 565792233 /nfs/dbraw/zinc/79/22/33/565792233.db2.gz BEXIXOCSVZMISQ-MLGOLLRUSA-N 1 0 379.913 2.998 20 0 GFADRO C[NH+]1CCC(CC(=O)N[C@]2(CO)CCc3cc(Br)ccc3C2)CC1 ZINC000628680886 565802247 /nfs/dbraw/zinc/80/22/47/565802247.db2.gz INIHHHBIIHVURH-LJQANCHMSA-N 1 0 395.341 2.517 20 0 GFADRO CNC(=O)c1cccc(NC(=O)N(C)CC[NH+]2CCCCC2)c1Br ZINC000650195590 565804829 /nfs/dbraw/zinc/80/48/29/565804829.db2.gz IDEZLIKRDUXMSZ-UHFFFAOYSA-N 1 0 397.317 2.758 20 0 GFADRO COC(=O)c1ccc(C[NH2+]CC(=O)Nc2ccc(Br)cc2C)n1C ZINC000602000434 565814419 /nfs/dbraw/zinc/81/44/19/565814419.db2.gz YWWXAKGGFPQYFG-UHFFFAOYSA-N 1 0 394.269 2.611 20 0 GFADRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2cnc3ncc(Br)cc3c2)C1 ZINC000672806584 565818350 /nfs/dbraw/zinc/81/83/50/565818350.db2.gz GCHJOKNHJXVQHQ-GFCCVEGCSA-N 1 0 377.286 2.806 20 0 GFADRO CC(C)C[C@@H](C(=O)Nc1ccncc1I)n1ccnc1 ZINC000602119998 565823529 /nfs/dbraw/zinc/82/35/29/565823529.db2.gz QFISLINQKQULJZ-ZDUSSCGKSA-N 1 0 384.221 2.531 20 0 GFADRO COC(=O)[C@H](c1cccc(Br)c1)N(C)C(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC000602135079 565824696 /nfs/dbraw/zinc/82/46/96/565824696.db2.gz YKKLIJYRFRCGTF-NFAWXSAZSA-N 1 0 392.253 2.648 20 0 GFADRO O=C(Cc1ccc(Br)c(Cl)c1)NC[C@@H]1CCC[N@H+]1CCCO ZINC000650583343 565828386 /nfs/dbraw/zinc/82/83/86/565828386.db2.gz BJYNJBRDHAAXIX-ZDUSSCGKSA-N 1 0 389.721 2.608 20 0 GFADRO CC[NH+]1CCN(CC(=O)N2C[C@@H](c3ccc(Br)cc3)C[C@H]2C)CC1 ZINC000629246367 565830566 /nfs/dbraw/zinc/83/05/66/565830566.db2.gz MEEAALDGUQMPMI-WBVHZDCISA-N 1 0 394.357 2.791 20 0 GFADRO CSC1CCN(C(=O)NC[C@H](c2cccs2)N2CCN(C)CC2)CC1 ZINC000602225696 565830985 /nfs/dbraw/zinc/83/09/85/565830985.db2.gz RFKXVCXUXCWYPW-MRXNPFEDSA-N 1 0 382.599 2.574 20 0 GFADRO Cc1c2cc(Br)ccc2oc1C(=O)N[C@H](CO)C[NH+]1CCCC1 ZINC000673530594 565838659 /nfs/dbraw/zinc/83/86/59/565838659.db2.gz IWEMQJXHQSUMDP-ZDUSSCGKSA-N 1 0 381.270 2.690 20 0 GFADRO Cc1cc2cc(C(=O)N[C@H](CO)C[NH+]3CCCC3)oc2c(Br)c1 ZINC000673533568 565838715 /nfs/dbraw/zinc/83/87/15/565838715.db2.gz QPVFJLBTZZMCTE-ZDUSSCGKSA-N 1 0 381.270 2.690 20 0 GFADRO Cc1cc2cc(C(=O)N[C@@H](CO)C[NH+]3CCCC3)oc2c(Br)c1 ZINC000673533567 565838750 /nfs/dbraw/zinc/83/87/50/565838750.db2.gz QPVFJLBTZZMCTE-CYBMUJFWSA-N 1 0 381.270 2.690 20 0 GFADRO O=C(c1csc(-c2cccc(Cl)c2)n1)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000673513014 565838909 /nfs/dbraw/zinc/83/89/09/565838909.db2.gz MTSNYBNYOLBDMB-HUUCEWRRSA-N 1 0 377.897 2.745 20 0 GFADRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N(C)CCn1cc(Br)cn1 ZINC000673550703 565839738 /nfs/dbraw/zinc/83/97/38/565839738.db2.gz WPQABCOYCRUDIK-OAHLLOKOSA-N 1 0 386.338 2.552 20 0 GFADRO O=C(NC1CC1)c1ccc(C[NH2+]CCCn2cc(Br)cn2)cc1 ZINC000673620120 565843108 /nfs/dbraw/zinc/84/31/08/565843108.db2.gz QRDUOJIBZQCONW-UHFFFAOYSA-N 1 0 377.286 2.718 20 0 GFADRO C[C@@H](NC(=O)C1([S@@](C)=O)CC[NH2+]CC1)c1cc(F)c(Cl)cc1Cl ZINC000602431277 565847446 /nfs/dbraw/zinc/84/74/46/565847446.db2.gz CKKLKTUOXMHCOT-XQHREBAHSA-N 1 0 381.300 2.810 20 0 GFADRO COCC[NH+]1CCC(NC(=O)[C@H]2CCOc3ccc(Br)cc32)CC1 ZINC000651180656 565849907 /nfs/dbraw/zinc/84/99/07/565849907.db2.gz BRTSLNYSBLZLMY-HNNXBMFYSA-N 1 0 397.313 2.542 20 0 GFADRO O[C@H](COc1ccc(Cl)c(Cl)c1)CN1CC[NH+](C2CCOCC2)CC1 ZINC000673857179 565850143 /nfs/dbraw/zinc/85/01/43/565850143.db2.gz ISFDAANZSKEITI-HNNXBMFYSA-N 1 0 389.323 2.530 20 0 GFADRO CCOc1cc(C[NH2+]C[C@H]2COCCN2)cc(Br)c1OC(F)F ZINC000629393077 565850762 /nfs/dbraw/zinc/85/07/62/565850762.db2.gz QYJIEHMSNYOKOA-NSHDSACASA-N 1 0 395.244 2.527 20 0 GFADRO Cc1cc(Br)c(Cl)cc1NC(=O)C1([S@@](C)=O)CC[NH2+]CC1 ZINC000602524237 565852248 /nfs/dbraw/zinc/85/22/48/565852248.db2.gz CTMQDUBPSXMPQK-OAQYLSRUSA-N 1 0 393.734 2.850 20 0 GFADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCOc2ccc(Br)cc21 ZINC000651261439 565852286 /nfs/dbraw/zinc/85/22/86/565852286.db2.gz HKHHUNMBTATGTF-CABCVRRESA-N 1 0 397.313 2.542 20 0 GFADRO O=C1[C@H]([NH2+][C@@H]2CCc3cc(Br)ccc32)CCN1C1CCOCC1 ZINC000673893654 565852910 /nfs/dbraw/zinc/85/29/10/565852910.db2.gz LFLPYZKDTFILQF-IAGOWNOFSA-N 1 0 379.298 2.806 20 0 GFADRO COC(=O)[C@@H]1CCCC[C@@]1(C)[NH2+]Cc1cnn2cc(Br)cnc12 ZINC000602510029 565852936 /nfs/dbraw/zinc/85/29/36/565852936.db2.gz QMIRWDCYDZPKBX-XJKSGUPXSA-N 1 0 381.274 2.703 20 0 GFADRO C[S@](=O)C1(C(=O)Nc2ccc(OC(F)(F)F)cc2Cl)CC[NH2+]CC1 ZINC000602531665 565854007 /nfs/dbraw/zinc/85/40/07/565854007.db2.gz ZMHKUNPBZXZSGV-DEOSSOPVSA-N 1 0 384.807 2.678 20 0 GFADRO CS(=O)(=O)NC[C@H]1CCC[N@H+](CCCc2ccc(C(F)(F)F)cc2)C1 ZINC000674006435 565855668 /nfs/dbraw/zinc/85/56/68/565855668.db2.gz UKVQFKUGFGLWMU-OAHLLOKOSA-N 1 0 378.460 2.899 20 0 GFADRO [NH3+]C[C@H]1CC[C@H](NC(=O)c2cc(F)c(F)cc2I)CC1 ZINC000602599796 565856477 /nfs/dbraw/zinc/85/64/77/565856477.db2.gz RLLIEBUIYHBIAW-KYZUINATSA-N 1 0 394.203 2.817 20 0 GFADRO O=C1NCCc2ccc(C[NH2+]Cc3ccc(I)s3)cc21 ZINC000602615640 565858412 /nfs/dbraw/zinc/85/84/12/565858412.db2.gz QQJJRYSNWDNISY-UHFFFAOYSA-N 1 0 398.269 2.928 20 0 GFADRO [NH3+]C[C@@H]1CCN(C(=O)c2cc(I)c[nH]2)c2ccccc21 ZINC000602623631 565858699 /nfs/dbraw/zinc/85/86/99/565858699.db2.gz QBOITRQTDWLIAH-JTQLQIEISA-N 1 0 381.217 2.712 20 0 GFADRO C[C@@H]1CN(c2ncnc3cc(Br)sc32)CC[N@@H+]1CC(C)(C)O ZINC000651344685 565859033 /nfs/dbraw/zinc/85/90/33/565859033.db2.gz PEVDCJBQZQMHRF-SNVBAGLBSA-N 1 0 385.331 2.735 20 0 GFADRO COc1ncc(Br)cc1CN1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629564687 565859405 /nfs/dbraw/zinc/85/94/05/565859405.db2.gz UCNJUUPMQWMSRW-CMPLNLGQSA-N 1 0 382.224 2.812 20 0 GFADRO OCCC[N@@H+]1CCC[C@@H]1CNc1ncc(Br)c2ccc(F)cc21 ZINC000651354030 565859841 /nfs/dbraw/zinc/85/98/41/565859841.db2.gz DYKGHBQQKSYDHH-CYBMUJFWSA-N 1 0 382.277 3.395 20 0 GFADRO C[C@]12C[NH2+]C[C@@]1(C)CN([C@@H]1CCc3cc(Br)ccc3NC1=O)C2 ZINC000629596453 565861767 /nfs/dbraw/zinc/86/17/67/565861767.db2.gz ZWGRIAKWEMJVAC-NXHRZFHOSA-N 1 0 378.314 2.634 20 0 GFADRO COC(=O)[C@@H]1OCC[C@@H]1[NH2+][C@@H]1CCN(C)[C@H](c2ccc(Br)cc2)C1 ZINC000602709873 565865016 /nfs/dbraw/zinc/86/50/16/565865016.db2.gz JIVGNXKNXBRTRM-LTIDMASMSA-N 1 0 397.313 2.505 20 0 GFADRO O=C(CC[NH2+][C@H]1CCN(C2CCC2)C1=O)Nc1cccc(Br)c1 ZINC000629616846 565865225 /nfs/dbraw/zinc/86/52/25/565865225.db2.gz CIYYZQLLQTXOPK-HNNXBMFYSA-N 1 0 380.286 2.521 20 0 GFADRO COC1CC[NH+](CCNC(=O)[C@@H](C)Oc2ccc(Cl)c(Cl)c2)CC1 ZINC000674310984 565867091 /nfs/dbraw/zinc/86/70/91/565867091.db2.gz QYRPFWRZQRSMAY-GFCCVEGCSA-N 1 0 375.296 2.988 20 0 GFADRO COC1CC[NH+](CCNC(=O)C2(c3ccc(Br)cc3)CC2)CC1 ZINC000674311644 565867187 /nfs/dbraw/zinc/86/71/87/565867187.db2.gz ISXFUESRALJDCD-UHFFFAOYSA-N 1 0 381.314 2.708 20 0 GFADRO CC(C)[NH2+][C@H]1CCCN(CCS(=O)(=O)c2cccc(Br)c2)C1 ZINC000674304276 565867756 /nfs/dbraw/zinc/86/77/56/565867756.db2.gz NLBBNNJRIDLAFP-HNNXBMFYSA-N 1 0 389.359 2.685 20 0 GFADRO Cc1ncc(CNC(=O)CC[N@@H+](C)[C@@H](C)c2ccc([S@@](C)=O)cc2)s1 ZINC000602784941 565868400 /nfs/dbraw/zinc/86/84/00/565868400.db2.gz UHGPKCSUIRYPJX-ZJWNCGCPSA-N 1 0 379.551 2.888 20 0 GFADRO CC[C@@H](C[NH+]1CCCC1)NS(=O)(=O)c1ccc(F)c(Br)c1 ZINC000674345613 565869674 /nfs/dbraw/zinc/86/96/74/565869674.db2.gz XQRXVRYNCDNUTH-NSHDSACASA-N 1 0 379.295 2.741 20 0 GFADRO CC[C@H](C[NH+]1CCCC1)NS(=O)(=O)c1cccc(Br)c1C ZINC000674345597 565869823 /nfs/dbraw/zinc/86/98/23/565869823.db2.gz WQROREKHUBQFIJ-CYBMUJFWSA-N 1 0 375.332 2.910 20 0 GFADRO C[NH+](C)CCN(Cc1cccc(O)c1)C(=O)c1nscc1Br ZINC000651538756 565870446 /nfs/dbraw/zinc/87/04/46/565870446.db2.gz AOESVHLGWLPPJA-UHFFFAOYSA-N 1 0 384.299 2.815 20 0 GFADRO C[C@H](C(=O)NC[C@H](c1cccs1)[NH+](C)C)c1ccc(S(C)(=O)=O)cc1 ZINC000674665320 565880340 /nfs/dbraw/zinc/88/03/40/565880340.db2.gz RCGCIZJCYHZOTM-XJKSGUPXSA-N 1 0 380.535 2.674 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)c2c(F)cncc2Br)CC[C@@H]1C(F)(F)F ZINC000630092551 565880807 /nfs/dbraw/zinc/88/08/07/565880807.db2.gz RBWHOSOLFUNETJ-SFYZADRCSA-N 1 0 384.171 2.583 20 0 GFADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)N1CCC[C@H]1c1ccccc1Br ZINC000674779316 565882512 /nfs/dbraw/zinc/88/25/12/565882512.db2.gz YICLADJSCRLDQT-YOEHRIQHSA-N 1 0 395.345 2.541 20 0 GFADRO Cc1cc(Br)sc1S(=O)(=O)N1CCC[C@H]([NH+](C)C)CC1 ZINC000651671306 565884138 /nfs/dbraw/zinc/88/41/38/565884138.db2.gz NBCOAGITVCQAGV-NSHDSACASA-N 1 0 381.361 2.924 20 0 GFADRO CCn1cnnc1CNC(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000630396061 565897842 /nfs/dbraw/zinc/89/78/42/565897842.db2.gz IAYUTGVFARIBAM-CQSZACIVSA-N 1 0 385.299 2.707 20 0 GFADRO C[C@H](NC(=O)C[C@@H]1Sc2ccc(Cl)cc2NC1=O)C1CC[NH+](C)CC1 ZINC000603324741 565898390 /nfs/dbraw/zinc/89/83/90/565898390.db2.gz BHPQZAIZNQYNFE-ZBEGNZNMSA-N 1 0 381.929 2.989 20 0 GFADRO CC[C@@H]1[C@@H](C(=O)N(C)CC(=O)Nc2ccccc2Br)CC[N@@H+]1C ZINC000630458421 565904188 /nfs/dbraw/zinc/90/41/88/565904188.db2.gz JOVAIKCTCVJMPY-SWLSCSKDSA-N 1 0 382.302 2.576 20 0 GFADRO CC(C)(C)[N@@H+]1CCCN(C(=O)c2ncc(I)s2)CC1 ZINC000603427560 565904533 /nfs/dbraw/zinc/90/45/33/565904533.db2.gz OAFIZRLMLBLIEV-UHFFFAOYSA-N 1 0 393.294 2.694 20 0 GFADRO COCC[N@@H+]1CCN(Cc2ccc(OC)c(O)c2Br)C(C)(C)C1 ZINC000652035724 565912002 /nfs/dbraw/zinc/91/20/02/565912002.db2.gz DVFWKRBZJYDJID-UHFFFAOYSA-N 1 0 387.318 2.706 20 0 GFADRO O=C(NC1CC[NH+](C2CC2)CC1)c1ccc2cncc(Br)c2n1 ZINC000630626304 565912075 /nfs/dbraw/zinc/91/20/75/565912075.db2.gz DMUZGUFZBHBJIN-UHFFFAOYSA-N 1 0 375.270 2.749 20 0 GFADRO C[NH+](C)Cc1cccc(CNC(=O)COc2ccc(Br)cn2)c1 ZINC000630658469 565912692 /nfs/dbraw/zinc/91/26/92/565912692.db2.gz CMRRARTXVBHWGV-UHFFFAOYSA-N 1 0 378.270 2.601 20 0 GFADRO CCO[C@@H]1CN(C(=O)NCc2ccc(-c3csc(C)n3)s2)C[C@H]1C[NH3+] ZINC000652121717 565916555 /nfs/dbraw/zinc/91/65/55/565916555.db2.gz SYXJHWQVQJUGCL-IUODEOHRSA-N 1 0 380.539 2.685 20 0 GFADRO C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CCOC[C@H]1CCOC1 ZINC000675840701 565917345 /nfs/dbraw/zinc/91/73/45/565917345.db2.gz UDEZDUWKHMNCST-KBPBESRZSA-N 1 0 385.302 2.809 20 0 GFADRO [NH3+]C[C@]12CCC[C@H]1CN(C(=O)N[C@@H]1COc3cc(F)c(Br)cc31)C2 ZINC000652189736 565918509 /nfs/dbraw/zinc/91/85/09/565918509.db2.gz RVJAKDYYOOCEAH-IXBGWNDUSA-N 1 0 398.276 2.792 20 0 GFADRO COCC[N@@H+]1CCCN(C(=O)[C@@H]2[C@@H]3Cc4cc(Br)ccc4[C@@H]32)CC1 ZINC000630827935 565921421 /nfs/dbraw/zinc/92/14/21/565921421.db2.gz AMIRBFCKOPYTCV-FGTMMUONSA-N 1 0 393.325 2.516 20 0 GFADRO C[C@H]1CCCN(CC(=O)N(C)Cc2cc(Br)cs2)[C@@H]1CC[NH3+] ZINC000652354565 565924974 /nfs/dbraw/zinc/92/49/74/565924974.db2.gz BWWIAMZAHVIGKC-SWLSCSKDSA-N 1 0 388.375 2.918 20 0 GFADRO COCc1c(Br)cccc1NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC000630880825 565925174 /nfs/dbraw/zinc/92/51/74/565925174.db2.gz CEVNWOJKPKXMRB-UHFFFAOYSA-N 1 0 381.274 2.606 20 0 GFADRO Cc1cccc(S(=O)(=O)N2CCC[C@H](C)[C@@H]2CC[NH3+])c1Br ZINC000652377205 565925305 /nfs/dbraw/zinc/92/53/05/565925305.db2.gz ABECTJVGOXKPFW-AAEUAGOBSA-N 1 0 375.332 2.896 20 0 GFADRO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCN(S(=O)(=O)c3cc(Cl)sc3Cl)C2)C1 ZINC000652375216 565925443 /nfs/dbraw/zinc/92/54/43/565925443.db2.gz LJCGJEVQVFHIOY-HBNTYKKESA-N 1 0 399.365 2.962 20 0 GFADRO [NH3+]Cc1ccc(CNS(=O)(=O)Cc2ccccc2C(F)(F)F)c(F)c1 ZINC000652381122 565926425 /nfs/dbraw/zinc/92/64/25/565926425.db2.gz CDIKHKISPCRYNX-UHFFFAOYSA-N 1 0 376.375 2.923 20 0 GFADRO C[N@@H+]1CCC[C@H](N2CCN(CCOc3ccc(Br)cc3)CC2)C1 ZINC000604389129 565927870 /nfs/dbraw/zinc/92/78/70/565927870.db2.gz FVFTZWPAOOIPOL-KRWDZBQOSA-N 1 0 382.346 2.540 20 0 GFADRO C[N@@H+]1C[C@@H](CNC(=O)c2nscc2Br)[C@H](c2ccccc2)C1 ZINC000652493124 565932976 /nfs/dbraw/zinc/93/29/76/565932976.db2.gz DUXGBQCTUJQXII-OLZOCXBDSA-N 1 0 380.311 2.981 20 0 GFADRO CC(C)C[N@H+](C)CCCNC(=O)c1cc(=O)c2cc(Br)ccc2[nH]1 ZINC000652522599 565933551 /nfs/dbraw/zinc/93/35/51/565933551.db2.gz NXZMPVWUNLAPJS-UHFFFAOYSA-N 1 0 394.313 2.998 20 0 GFADRO NS(=O)(=O)c1cc(C[NH2+]CCCOCCc2ccccc2)ccc1Cl ZINC000631048276 565935018 /nfs/dbraw/zinc/93/50/18/565935018.db2.gz ZWRZRVPUDBQSBU-UHFFFAOYSA-N 1 0 382.913 2.726 20 0 GFADRO CC(C)n1ncnc1C[NH2+]CCCNC(=O)c1ccc(Br)cc1 ZINC000631059102 565936725 /nfs/dbraw/zinc/93/67/25/565936725.db2.gz GZVFTFUPMZOREW-UHFFFAOYSA-N 1 0 380.290 2.531 20 0 GFADRO O[C@]1(CNCc2ccncc2Br)CC[N@H+](Cc2ccccc2)C1 ZINC000631077074 565937941 /nfs/dbraw/zinc/93/79/41/565937941.db2.gz CHUPUJVYTXPGFU-SFHVURJKSA-N 1 0 376.298 2.571 20 0 GFADRO C[C@H](CN1CCN(c2ccccn2)CC1)[NH2+]Cc1ccncc1Br ZINC000631075031 565938181 /nfs/dbraw/zinc/93/81/81/565938181.db2.gz NIYRFJWOSTXMNO-OAHLLOKOSA-N 1 0 390.329 2.539 20 0 GFADRO Brc1ccccc1C1(C[NH2+]Cc2cn(C[C@@H]3CCOC3)nn2)CC1 ZINC000631078107 565938602 /nfs/dbraw/zinc/93/86/02/565938602.db2.gz QQQFFNRDVSDQCW-AWEZNQCLSA-N 1 0 391.313 2.899 20 0 GFADRO COc1cc(C[NH2+]CCN2CCC(OC)CC2)c(F)cc1Br ZINC000631086638 565940079 /nfs/dbraw/zinc/94/00/79/565940079.db2.gz ZKCHJMXFDVEWQF-UHFFFAOYSA-N 1 0 375.282 2.797 20 0 GFADRO COc1cc(Cl)ccc1S(=O)(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000676497590 565941534 /nfs/dbraw/zinc/94/15/34/565941534.db2.gz DKCKWPCNBUPBSQ-XJKSGUPXSA-N 1 0 384.929 2.986 20 0 GFADRO COc1cc(F)c(S(=O)(=O)NC[C@@H]2CCC[N@H+](CC(C)C)C2)c(F)c1 ZINC000676493982 565941631 /nfs/dbraw/zinc/94/16/31/565941631.db2.gz CTMSDVMJAANEHZ-ZDUSSCGKSA-N 1 0 376.469 2.620 20 0 GFADRO CC[N@@H+]1CCCC[C@@H]1CNc1cccc(OC(F)(F)F)c1S(N)(=O)=O ZINC000631114356 565943234 /nfs/dbraw/zinc/94/32/34/565943234.db2.gz CKCLWMAKGDGWFN-LLVKDONJSA-N 1 0 381.420 2.519 20 0 GFADRO C[C@@H]([NH2+]Cc1ccc(Cl)c(S(N)(=O)=O)c1)[C@@H](c1ccccc1)N(C)C ZINC000631114183 565943303 /nfs/dbraw/zinc/94/33/03/565943303.db2.gz SFEZHBYWSULGDY-ACJLOTCBSA-N 1 0 381.929 2.768 20 0 GFADRO COc1cccc(C2(C[NH2+]Cc3ccc(Cl)c(S(N)(=O)=O)c3)CC2)c1 ZINC000631141191 565944078 /nfs/dbraw/zinc/94/40/78/565944078.db2.gz FJJBDKVEPHHLBG-UHFFFAOYSA-N 1 0 380.897 2.817 20 0 GFADRO C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)CNC(=O)c1ccc(Cl)cc1Cl ZINC000605024956 565944086 /nfs/dbraw/zinc/94/40/86/565944086.db2.gz GVTNHUNCODUBBK-GXTWGEPZSA-N 1 0 384.307 2.808 20 0 GFADRO C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)CNC(=O)c1ccc(Cl)cc1Cl ZINC000605024958 565944181 /nfs/dbraw/zinc/94/41/81/565944181.db2.gz GVTNHUNCODUBBK-OCCSQVGLSA-N 1 0 384.307 2.808 20 0 GFADRO C[C@H](C(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1)[C@@H](C)S(C)(=O)=O ZINC000652870678 565944534 /nfs/dbraw/zinc/94/45/34/565944534.db2.gz GJTWDXCOOWGQDB-LSDHHAIUSA-N 1 0 384.567 2.882 20 0 GFADRO CN1CCN(C(=O)c2c[nH]c(=O)c(Br)c2)[C@H](Cc2ccccc2)C1 ZINC000652883897 565945110 /nfs/dbraw/zinc/94/51/10/565945110.db2.gz XYKFVLHIUQMIBY-OAHLLOKOSA-N 1 0 390.281 2.549 20 0 GFADRO COc1cc(C[NH2+]CCC2(CS(C)(=O)=O)CC2)c(F)cc1Br ZINC000631173135 565947196 /nfs/dbraw/zinc/94/71/96/565947196.db2.gz VHINAQUDAYEBTP-UHFFFAOYSA-N 1 0 394.306 2.901 20 0 GFADRO COCC[N@@H+]1CCN(C(=O)c2c[nH]c3ncc(Br)cc23)C(C)(C)C1 ZINC000652926693 565947687 /nfs/dbraw/zinc/94/76/87/565947687.db2.gz JRIAIHXNTSHTOV-UHFFFAOYSA-N 1 0 395.301 2.508 20 0 GFADRO C[NH+](C)CCNC(=O)C1CCN(C(=O)c2cc(Cl)cc(Cl)c2F)CC1 ZINC000631285578 565952564 /nfs/dbraw/zinc/95/25/64/565952564.db2.gz RNZIXJMZPHXURQ-UHFFFAOYSA-N 1 0 390.286 2.663 20 0 GFADRO C[C@H](NC(=O)[C@H]1CCC[NH2+]CC1)c1cc2c(cc1Br)OCCO2 ZINC000653074587 565953338 /nfs/dbraw/zinc/95/33/38/565953338.db2.gz NYEZGHVKVDNARJ-RYUDHWBXSA-N 1 0 383.286 2.787 20 0 GFADRO CCOc1ccc(Br)cc1CN(C(=O)[C@H](N)CC[NH+](C)C)C1CC1 ZINC000653086761 565954250 /nfs/dbraw/zinc/95/42/50/565954250.db2.gz ARDIPRDRCIDZAC-MRXNPFEDSA-N 1 0 398.345 2.618 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653083381 565954460 /nfs/dbraw/zinc/95/44/60/565954460.db2.gz XRUMOJBMDFVXFC-LSDHHAIUSA-N 1 0 394.313 2.733 20 0 GFADRO O=C(NC[C@H]1CCN(c2cccc(Br)c2)C1)[C@@H]1CCC[NH2+]CC1 ZINC000653113120 565955061 /nfs/dbraw/zinc/95/50/61/565955061.db2.gz TWUAOJSNLBCNPB-HUUCEWRRSA-N 1 0 380.330 2.781 20 0 GFADRO O=C([C@H]1CCOc2ccc(Br)cc21)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000653140578 565956481 /nfs/dbraw/zinc/95/64/81/565956481.db2.gz GTMVMMQQCNSFGN-KSSFIOAISA-N 1 0 379.298 2.917 20 0 GFADRO O=C(N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653154915 565956581 /nfs/dbraw/zinc/95/65/81/565956581.db2.gz COIKYSBHRSTYEC-HRCADAONSA-N 1 0 382.291 2.746 20 0 GFADRO COCC[N@@H+]1CC[C@@H](NC(=O)N[C@H](C)CCc2ccc(Br)cc2)C1 ZINC000605880273 565958365 /nfs/dbraw/zinc/95/83/65/565958365.db2.gz LKCFPOZOTSAPKA-RHSMWYFYSA-N 1 0 398.345 2.790 20 0 GFADRO O=C([C@@H]1C[C@H]1c1cccc(Br)c1)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000653226957 565959250 /nfs/dbraw/zinc/95/92/50/565959250.db2.gz LLASDZFHXSDTIN-XWTMOSNGSA-N 1 0 393.325 2.610 20 0 GFADRO O=C(NCc1n[nH]cc1Br)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000606482469 565965766 /nfs/dbraw/zinc/96/57/66/565965766.db2.gz XPYMVJFJNRYOLK-INIZCTEOSA-N 1 0 392.301 2.809 20 0 GFADRO Cc1ccc([C@@H](CNC(=O)NCc2n[nH]cc2Br)[NH+](C)C)cc1 ZINC000606499843 565966500 /nfs/dbraw/zinc/96/65/00/565966500.db2.gz LTURLQAEUPCACO-OAHLLOKOSA-N 1 0 380.290 2.583 20 0 GFADRO CNS(=O)(=O)CCC[NH2+][C@H]1CCSc2ccc(Br)cc21 ZINC000631710627 565968234 /nfs/dbraw/zinc/96/82/34/565968234.db2.gz PKNHYFHHYVNJSM-LBPRGKRZSA-N 1 0 379.345 2.515 20 0 GFADRO C[NH+](C)CCCS(=O)(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 ZINC000631728414 565969772 /nfs/dbraw/zinc/96/97/72/565969772.db2.gz PCJKPWJPSOXVHV-NXEZZACHSA-N 1 0 384.386 2.767 20 0 GFADRO C[C@H](CNS(=O)(=O)Cc1ncsc1Br)[N@@H+]1CCCC[C@@H]1C ZINC000631743680 565971013 /nfs/dbraw/zinc/97/10/13/565971013.db2.gz ZHFJRMXSDWVJQN-WDEREUQCSA-N 1 0 396.376 2.588 20 0 GFADRO C[NH+](C)CCN(Cc1ccco1)C(=O)c1cc(Br)c2nccn2c1 ZINC000631743521 565971102 /nfs/dbraw/zinc/97/11/02/565971102.db2.gz WFBRRNDOPBLBED-UHFFFAOYSA-N 1 0 391.269 2.894 20 0 GFADRO O=S(=O)(c1csc(-c2ccccc2)n1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000606908770 565973945 /nfs/dbraw/zinc/97/39/45/565973945.db2.gz XGKGNALCIXNTJI-OAHLLOKOSA-N 1 0 377.535 2.917 20 0 GFADRO CN(Cc1csc(Br)c1)S(=O)(=O)CCC[NH+]1CCCC1 ZINC000631794139 565975740 /nfs/dbraw/zinc/97/57/40/565975740.db2.gz JTEBWMXYZRASBS-UHFFFAOYSA-N 1 0 381.361 2.758 20 0 GFADRO O=C(CCc1cc(Br)ccc1F)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000677567982 565978435 /nfs/dbraw/zinc/97/84/35/565978435.db2.gz MFQMBZOETNAZRT-INIZCTEOSA-N 1 0 399.304 2.890 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2cccc(Br)c2)C[C@@H]1C ZINC000607161234 565978964 /nfs/dbraw/zinc/97/89/64/565978964.db2.gz MHTSIEQWVAFTMO-GXTWGEPZSA-N 1 0 375.332 2.942 20 0 GFADRO C[NH+](C)CCn1cc(C(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)cn1 ZINC000631896561 565981189 /nfs/dbraw/zinc/98/11/89/565981189.db2.gz CJZUIBQHZWAHFR-UHFFFAOYSA-N 1 0 376.873 2.869 20 0 GFADRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)Nc2ccc(NS(C)(=O)=O)c(Cl)c2)C1 ZINC000607215777 565981417 /nfs/dbraw/zinc/98/14/17/565981417.db2.gz VIXDBHPDRSNAHM-LBPRGKRZSA-N 1 0 388.921 2.563 20 0 GFADRO OC[C@H]1CCCCC[N@@H+]1C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000653783996 565981492 /nfs/dbraw/zinc/98/14/92/565981492.db2.gz AYDOCXXXRPGPOJ-CABCVRRESA-N 1 0 376.266 2.565 20 0 GFADRO O=S(=O)(Cc1ncsc1Br)NCC[NH2+]C1CCCCCC1 ZINC000631906575 565982219 /nfs/dbraw/zinc/98/22/19/565982219.db2.gz QABYABKJNPREKE-UHFFFAOYSA-N 1 0 396.376 2.637 20 0 GFADRO O=S(=O)(c1cscc1Br)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000631908634 565982359 /nfs/dbraw/zinc/98/23/59/565982359.db2.gz VSNQHZDQJNEHNQ-PWSUYJOCSA-N 1 0 379.345 2.663 20 0 GFADRO C[C@H](CNC(=O)C(=O)Nc1cc(Cl)ccc1SCC(F)(F)F)[NH+](C)C ZINC000607258364 565982288 /nfs/dbraw/zinc/98/22/88/565982288.db2.gz KVILUUOZCHABGX-SECBINFHSA-N 1 0 397.850 2.999 20 0 GFADRO O=S(=O)(c1csnc1-c1ccccc1)N1CCC([NH2+]CC2CC2)CC1 ZINC000631906787 565982484 /nfs/dbraw/zinc/98/24/84/565982484.db2.gz VVWRILCOVOCXOC-UHFFFAOYSA-N 1 0 377.535 2.963 20 0 GFADRO CN(C1CC[NH2+]CC1)S(=O)(=O)NCC1(Sc2ccccc2)CCCC1 ZINC000631918879 565983407 /nfs/dbraw/zinc/98/34/07/565983407.db2.gz PAFHXEVDFLHVDC-UHFFFAOYSA-N 1 0 383.583 2.610 20 0 GFADRO [NH3+]CCCN(CC1CCCC1)S(=O)(=O)Cc1ncsc1Br ZINC000631937838 565984572 /nfs/dbraw/zinc/98/45/72/565984572.db2.gz MMLFETRUMFKJMI-UHFFFAOYSA-N 1 0 396.376 2.576 20 0 GFADRO CC[C@@H]([NH2+]Cc1nnnn1-c1ccccc1Br)[C@@H]1CCCCO1 ZINC000653878264 565986592 /nfs/dbraw/zinc/98/65/92/565986592.db2.gz YFNCJTDPPHGTCK-HIFRSBDPSA-N 1 0 380.290 2.862 20 0 GFADRO C[C@H]1C[C@H](N(C)C(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CC2)CC[N@@H+]1C ZINC000607665223 565987953 /nfs/dbraw/zinc/98/79/53/565987953.db2.gz STEGRBNUUPLVOM-DZGCQCFKSA-N 1 0 384.929 2.587 20 0 GFADRO C[C@@H](C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1)c1ccc(Br)cc1 ZINC000678008829 565993351 /nfs/dbraw/zinc/99/33/51/565993351.db2.gz DUHTZMOLFUUTKH-CRAIPNDOSA-N 1 0 394.357 2.791 20 0 GFADRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)C2CCN(C(=O)c3ccc(Cl)s3)CC2)C1 ZINC000654067845 565994991 /nfs/dbraw/zinc/99/49/91/565994991.db2.gz FYEYORHVXVKOOE-XBXGTLAGSA-N 1 0 383.945 2.710 20 0 GFADRO C[NH+](C)CCN(Cc1cccs1)S(=O)(=O)c1ccc2[nH]c(=O)sc2c1 ZINC000632084472 565996633 /nfs/dbraw/zinc/99/66/33/565996633.db2.gz LOBPUSIUECFBKW-UHFFFAOYSA-N 1 0 397.547 2.816 20 0 GFADRO Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+]CCCN1CCCS1(=O)=O ZINC000678582191 566013178 /nfs/dbraw/zinc/01/31/78/566013178.db2.gz GRFAGXUVVWRTPQ-CYBMUJFWSA-N 1 0 380.539 2.590 20 0 GFADRO Cc1c(Br)cccc1CNC(=O)N1CCOC2(CC[NH+](C)CC2)C1 ZINC000654642999 566018164 /nfs/dbraw/zinc/01/81/64/566018164.db2.gz GUNIQAPWIAKYDS-UHFFFAOYSA-N 1 0 396.329 2.764 20 0 GFADRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)C1 ZINC000654658370 566018458 /nfs/dbraw/zinc/01/84/58/566018458.db2.gz OUTVJUFPPYRVIW-XBXGTLAGSA-N 1 0 386.327 2.560 20 0 GFADRO CN(C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000654665553 566018650 /nfs/dbraw/zinc/01/86/50/566018650.db2.gz MOEVVBRODAUOOS-OAEJOCTFSA-N 1 0 386.323 2.933 20 0 GFADRO CC(C)[C@H](NC(=O)c1ccccc1Br)C(=O)N(C)CCC[NH+](C)C ZINC000678866208 566023391 /nfs/dbraw/zinc/02/33/91/566023391.db2.gz PIEQSRZKSNMVKT-INIZCTEOSA-N 1 0 398.345 2.614 20 0 GFADRO CCn1cnnc1CC[NH2+]Cc1cccc(Br)c1OC(F)F ZINC000679023973 566027696 /nfs/dbraw/zinc/02/76/96/566027696.db2.gz VYZURWWCMUUJEY-UHFFFAOYSA-N 1 0 375.217 2.994 20 0 GFADRO Cc1ccc(C(=O)Nc2cnn(CC[NH+](C)C)c2)cc1I ZINC000609060941 566029966 /nfs/dbraw/zinc/02/99/66/566029966.db2.gz KNAJULFFZKTMRC-UHFFFAOYSA-N 1 0 398.248 2.610 20 0 GFADRO O=C(Nc1ccccc1Br)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000654946870 566031120 /nfs/dbraw/zinc/03/11/20/566031120.db2.gz ORIPMFUFHJNXFJ-LSDHHAIUSA-N 1 0 380.286 2.521 20 0 GFADRO O=C(Nc1ccc(F)c(Br)c1)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000654946726 566031815 /nfs/dbraw/zinc/03/18/15/566031815.db2.gz MJJKDYCWJZGGEW-GJZGRUSLSA-N 1 0 398.276 2.660 20 0 GFADRO CC[NH+](CC)CC[C@H](CO)NC(=O)[C@H]1CCOc2ccc(Br)cc21 ZINC000655049822 566037655 /nfs/dbraw/zinc/03/76/55/566037655.db2.gz WQWAZOBBURLOIP-CABCVRRESA-N 1 0 399.329 2.524 20 0 GFADRO C[C@@H]1COCCN1CC[NH2+][C@H](c1ccc(Br)cc1)[C@H]1CCCO1 ZINC000679339402 566037689 /nfs/dbraw/zinc/03/76/89/566037689.db2.gz JGFFSEXICKXDLJ-ZTFGCOKTSA-N 1 0 383.330 2.980 20 0 GFADRO CC[NH+](CC)CC[C@@H](CO)NC(=O)Cc1sc(C)nc1-c1cccs1 ZINC000655047889 566037757 /nfs/dbraw/zinc/03/77/57/566037757.db2.gz ZFGAMLKVNPNNES-AWEZNQCLSA-N 1 0 381.567 2.932 20 0 GFADRO CCC(C)(C)[NH+]1CCN(C(=O)c2ccc(Cl)c(NS(C)(=O)=O)c2)CC1 ZINC000655274168 566049531 /nfs/dbraw/zinc/04/95/31/566049531.db2.gz YKMCSDNTOWSRIC-UHFFFAOYSA-N 1 0 387.933 2.658 20 0 GFADRO COc1ccsc1S(=O)(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000632616659 566050895 /nfs/dbraw/zinc/05/08/95/566050895.db2.gz HDKLGSHLXLNPSV-GDBMZVCRSA-N 1 0 380.535 2.803 20 0 GFADRO C[N@H+](CC(=O)N1CCOc2cccc(Br)c2C1)[C@@H]1CCSC1 ZINC000655319717 566051634 /nfs/dbraw/zinc/05/16/34/566051634.db2.gz USELSXMOVFUVBC-GFCCVEGCSA-N 1 0 385.327 2.607 20 0 GFADRO C[N@H+](CC(=O)N1CCOc2cccc(Br)c2C1)[C@H]1CCSC1 ZINC000655319718 566051760 /nfs/dbraw/zinc/05/17/60/566051760.db2.gz USELSXMOVFUVBC-LBPRGKRZSA-N 1 0 385.327 2.607 20 0 GFADRO COCC[N@H+](CCO)CCCC(=O)Nc1c(C)cc(Br)cc1C ZINC000679818296 566053689 /nfs/dbraw/zinc/05/36/89/566053689.db2.gz TYKXXVRJGVPSLY-UHFFFAOYSA-N 1 0 387.318 2.725 20 0 GFADRO [NH3+]C[C@@H](NC(=O)COc1ccc2cc(Br)ccc2c1)C(F)(F)F ZINC000655508065 566060962 /nfs/dbraw/zinc/06/09/62/566060962.db2.gz AFMMCUIENMSSNN-CYBMUJFWSA-N 1 0 391.187 2.987 20 0 GFADRO Cc1c(C(=O)N[C@H](C[NH3+])C(F)(F)F)cnn1-c1cccc(Br)c1 ZINC000655512640 566062254 /nfs/dbraw/zinc/06/22/54/566062254.db2.gz XPMAXEDBOVGXIL-GFCCVEGCSA-N 1 0 391.191 2.563 20 0 GFADRO Cn1c2ccccc2cc1S(=O)(=O)N(CC[NH+](C)C)Cc1cccs1 ZINC000655532515 566065467 /nfs/dbraw/zinc/06/54/67/566065467.db2.gz CFSLUZFLHJLTGV-UHFFFAOYSA-N 1 0 377.535 2.992 20 0 GFADRO CC[C@@H]1[C@@H](C(=O)NCc2nc(-c3cccc(Br)c3)no2)CC[N@@H+]1C ZINC000632801878 566069164 /nfs/dbraw/zinc/06/91/64/566069164.db2.gz LGTLUGSJYYIRDT-UONOGXRCSA-N 1 0 393.285 2.846 20 0 GFADRO Cc1csc(-c2ccc(S(=O)(=O)N3CC[C@]4(CC[N@@H+](C)C4)C3)cc2)n1 ZINC000655600481 566070891 /nfs/dbraw/zinc/07/08/91/566070891.db2.gz HQIHPBMQZIXCTE-SFHVURJKSA-N 1 0 377.535 2.835 20 0 GFADRO CC(C)[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000632863063 566072348 /nfs/dbraw/zinc/07/23/48/566072348.db2.gz GNBZQMOQFCHIOZ-HEHGZKQESA-N 1 0 383.945 2.756 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)NCc1c(Br)cnn1C ZINC000632899101 566073227 /nfs/dbraw/zinc/07/32/27/566073227.db2.gz WQARAJIEXWSLGF-CYBMUJFWSA-N 1 0 386.338 2.636 20 0 GFADRO O=C(Nc1cc(Br)ccc1-n1cccn1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000632911615 566074506 /nfs/dbraw/zinc/07/45/06/566074506.db2.gz ROKBIXCAZVKUBM-BETUJISGSA-N 1 0 376.258 2.603 20 0 GFADRO C[C@H](CNC(=O)NCc1c(Br)cnn1C)[N@H+](C)Cc1ccccc1 ZINC000632996767 566078859 /nfs/dbraw/zinc/07/88/59/566078859.db2.gz OHNNXPQZEPFRKL-CYBMUJFWSA-N 1 0 394.317 2.502 20 0 GFADRO O[C@@H]1CCC[C@@H]1[NH+]1CCN(c2ncnc3cc(F)c(Br)cc32)CC1 ZINC000680829162 566083847 /nfs/dbraw/zinc/08/38/47/566083847.db2.gz ZSVIGSCXALACGO-JKSUJKDBSA-N 1 0 395.276 2.567 20 0 GFADRO Cc1nn(-c2ccccc2Br)cc1C[NH2+][C@H](C)Cn1cncn1 ZINC000655722048 566083876 /nfs/dbraw/zinc/08/38/76/566083876.db2.gz VQTYJRREAZZNHX-GFCCVEGCSA-N 1 0 375.274 2.713 20 0 GFADRO Cc1nn(-c2cccc(Br)c2)cc1C[NH2+]C1(CO)CCOCC1 ZINC000655734761 566085308 /nfs/dbraw/zinc/08/53/08/566085308.db2.gz ATKVCJPYTWBRSK-UHFFFAOYSA-N 1 0 380.286 2.574 20 0 GFADRO Cc1cc(Br)cn2cc(CNC3CC[NH+]([C@H]4CCOC4)CC3)nc12 ZINC000655754156 566086947 /nfs/dbraw/zinc/08/69/47/566086947.db2.gz OJXHJYKJXDSBOX-KRWDZBQOSA-N 1 0 393.329 2.748 20 0 GFADRO CO[C@](C)(CO)C[NH2+]Cc1cc(Br)ccc1OCc1ccccn1 ZINC000655808879 566090533 /nfs/dbraw/zinc/09/05/33/566090533.db2.gz KSUOXHFLFHAHHI-SFHVURJKSA-N 1 0 395.297 2.910 20 0 GFADRO Cn1nnc2c1CC[C@@H]([NH2+]CC1=Cc3cc(Br)ccc3OC1)C2 ZINC000655841534 566093126 /nfs/dbraw/zinc/09/31/26/566093126.db2.gz FINNWHBKEHQDHK-CQSZACIVSA-N 1 0 375.270 2.501 20 0 GFADRO CC[C@@H]1CN(S(=O)(=O)Cc2cccc(Br)c2C)CC[C@@H]1[NH3+] ZINC000655949745 566098145 /nfs/dbraw/zinc/09/81/45/566098145.db2.gz ATKPORUVAKXNHB-DOMZBBRYSA-N 1 0 375.332 2.647 20 0 GFADRO O=C(c1cc(Cl)cc(Cl)c1F)N1CC[NH+]([C@H]2CCNC(=O)CC2)CC1 ZINC000633356625 566098422 /nfs/dbraw/zinc/09/84/22/566098422.db2.gz CMCZVCCBXKELGY-GFCCVEGCSA-N 1 0 388.270 2.559 20 0 GFADRO COc1ccc(C(=O)N(C)CCCC[NH+](C)C)cc1I ZINC000610786216 566099587 /nfs/dbraw/zinc/09/95/87/566099587.db2.gz JRQVWXIVZXBYKU-UHFFFAOYSA-N 1 0 390.265 2.714 20 0 GFADRO CC[C@@H]([NH2+]C[C@@H]1CCS(=O)(=O)C1)c1ccc(I)cc1 ZINC000610798345 566100391 /nfs/dbraw/zinc/10/03/91/566100391.db2.gz RFGCENNKZNGTST-SMDDNHRTSA-N 1 0 393.290 2.767 20 0 GFADRO O=S1(=O)CC[C@@H]([NH2+][C@H]2CCN(CC3CC3)C2)c2cc(Br)ccc21 ZINC000681389593 566105176 /nfs/dbraw/zinc/10/51/76/566105176.db2.gz QIILBYRWUFWPIX-GOEBONIOSA-N 1 0 399.354 2.742 20 0 GFADRO O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cccc(F)c1I ZINC000611002010 566110417 /nfs/dbraw/zinc/11/04/17/566110417.db2.gz XHSZYENRPVEAOB-WDEREUQCSA-N 1 0 388.224 2.787 20 0 GFADRO CC[N@@H+]1CCN(C(=O)Nc2cccc(F)c2I)C[C@@H]1C ZINC000611162734 566118590 /nfs/dbraw/zinc/11/85/90/566118590.db2.gz BOFJYCUZZCCIOY-JTQLQIEISA-N 1 0 391.228 2.988 20 0 GFADRO COc1cc(Br)ccc1CNC(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000681780620 566124899 /nfs/dbraw/zinc/12/48/99/566124899.db2.gz ATVJHANQCXXJPS-UHFFFAOYSA-N 1 0 396.289 2.538 20 0 GFADRO CC(C)[N@@H+]1CC[C@H](CNC(=O)c2cnc3ncc(Br)cc3c2)C1 ZINC000681973000 566136080 /nfs/dbraw/zinc/13/60/80/566136080.db2.gz UVANCCGOPNGFNP-GFCCVEGCSA-N 1 0 377.286 2.852 20 0 GFADRO COC(=O)[C@H](c1cccc(Cl)c1Cl)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000611661629 566139721 /nfs/dbraw/zinc/13/97/21/566139721.db2.gz RMDGPPIKYZIMLA-UXLLHSPISA-N 1 0 387.307 2.739 20 0 GFADRO CC[N@@H+]1CCN(C(=O)Nc2cc(Br)cnc2-n2cccn2)C[C@@H]1C ZINC000682052651 566142195 /nfs/dbraw/zinc/14/21/95/566142195.db2.gz RLTTUTQFAFMVPH-LBPRGKRZSA-N 1 0 393.289 2.588 20 0 GFADRO O=C(NCc1ccc(Cl)c(Cl)c1)C(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000611824053 566142959 /nfs/dbraw/zinc/14/29/59/566142959.db2.gz YQSJLJQVMWROMX-CQSZACIVSA-N 1 0 384.307 2.743 20 0 GFADRO CN(CC[NH+](C)C)C(=O)Cc1ccc(Br)c(Br)c1 ZINC000611825838 566143301 /nfs/dbraw/zinc/14/33/01/566143301.db2.gz BQFLDORZRVMJOT-UHFFFAOYSA-N 1 0 378.108 2.774 20 0 GFADRO O[C@H](C[NH2+]Cc1cccc2c1OCO2)COc1cc(F)cc(Br)c1 ZINC000682187661 566146245 /nfs/dbraw/zinc/14/62/45/566146245.db2.gz ZCHRTQVNKANPAZ-CQSZACIVSA-N 1 0 398.228 2.846 20 0 GFADRO O[C@H](COc1cc(F)cc(Br)c1)C[NH+]1CCC2(CCOC2)CC1 ZINC000682219046 566147647 /nfs/dbraw/zinc/14/76/47/566147647.db2.gz NPSPSVJQWJOARN-HNNXBMFYSA-N 1 0 388.277 2.830 20 0 GFADRO Cc1cc(Br)c(F)cc1NC(=O)C(=O)N(C)CCCC[NH+](C)C ZINC000682279943 566149091 /nfs/dbraw/zinc/14/90/91/566149091.db2.gz NVHUOFWJWOCXKR-UHFFFAOYSA-N 1 0 388.281 2.635 20 0 GFADRO CC(C)[NH2+]CC(=O)NC1CCN(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000634299498 566150979 /nfs/dbraw/zinc/15/09/79/566150979.db2.gz SXKRIZDEXIWWPQ-UHFFFAOYSA-N 1 0 397.317 2.560 20 0 GFADRO COC(=O)[C@@H](NC(=O)C[N@H+](C)[C@@H]1CCSC1)c1ccc(Cl)cc1Cl ZINC000612091846 566151375 /nfs/dbraw/zinc/15/13/75/566151375.db2.gz LHIGBFPIMUALNP-ABAIWWIYSA-N 1 0 391.320 2.761 20 0 GFADRO Cc1ccncc1CC[NH2+]CCS(=O)(=O)c1cccc(Br)c1 ZINC000656703508 566155921 /nfs/dbraw/zinc/15/59/21/566155921.db2.gz BNRQXOKIQHIYRS-UHFFFAOYSA-N 1 0 383.311 2.759 20 0 GFADRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)c2cc(Br)cc3c2OCCO3)C1 ZINC000612282606 566156998 /nfs/dbraw/zinc/15/69/98/566156998.db2.gz MXTVKBCCMIGCQO-ZDUSSCGKSA-N 1 0 397.313 2.928 20 0 GFADRO O=C(NC1CC[NH+](C[C@@H](O)COc2cc(Cl)cc(Cl)c2)CC1)C1CC1 ZINC000634642446 566162270 /nfs/dbraw/zinc/16/22/70/566162270.db2.gz KNYYYSFBCOQIFI-MRXNPFEDSA-N 1 0 387.307 2.724 20 0 GFADRO COC(=O)c1cc(NC(=O)N(C)CCC[NH+](C)C)c(Br)cc1F ZINC000612573271 566166623 /nfs/dbraw/zinc/16/66/23/566166623.db2.gz VYAQMJYUVVHANN-UHFFFAOYSA-N 1 0 390.253 2.790 20 0 GFADRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cc(Br)cc3[nH]c(=O)[nH]c32)C1 ZINC000612649463 566168546 /nfs/dbraw/zinc/16/85/46/566168546.db2.gz MMTATHLIYRGNNU-QMTHXVAHSA-N 1 0 393.285 2.587 20 0 GFADRO C[C@@H]([NH2+]CCn1ccc(C(F)(F)F)n1)c1cccc(NS(C)(=O)=O)c1 ZINC000634687769 566170069 /nfs/dbraw/zinc/17/00/69/566170069.db2.gz YUNHFAFVZAFBCE-LLVKDONJSA-N 1 0 376.404 2.624 20 0 GFADRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1cc2cc(Br)sc2[nH]1 ZINC000612657920 566170290 /nfs/dbraw/zinc/17/02/90/566170290.db2.gz DJHUFWGOKAFQJV-LLVKDONJSA-N 1 0 386.315 2.569 20 0 GFADRO C[C@](O)(C[C@H](O)C[NH2+][C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)C1CC1 ZINC000634709911 566170770 /nfs/dbraw/zinc/17/07/70/566170770.db2.gz PYTNXXQQLLNPOW-OWQGQXMQSA-N 1 0 387.307 2.600 20 0 GFADRO CCn1c2ccc(Br)cc2nc1C[NH2+]C[C@H](O)C[C@@](C)(O)C1CC1 ZINC000634712329 566172088 /nfs/dbraw/zinc/17/20/88/566172088.db2.gz CSENDLFOWDFGKQ-RDTXWAMCSA-N 1 0 396.329 2.820 20 0 GFADRO COc1cc(C(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)cc(OC)c1Br ZINC000634748686 566174242 /nfs/dbraw/zinc/17/42/42/566174242.db2.gz MOWRGHOBQREYBF-CALCHBBNSA-N 1 0 383.286 2.538 20 0 GFADRO O=C(Cc1ccc(Br)c(Br)c1)NCC[NH+]1CCC1 ZINC000612841518 566176586 /nfs/dbraw/zinc/17/65/86/566176586.db2.gz BSICWZOLXZOODS-UHFFFAOYSA-N 1 0 376.092 2.576 20 0 GFADRO C[NH+](C)CCN(Cc1ccccn1)S(=O)(=O)Cc1cc(F)ccc1Cl ZINC000656896690 566177348 /nfs/dbraw/zinc/17/73/48/566177348.db2.gz JXMBANQLBMJXKS-UHFFFAOYSA-N 1 0 385.892 2.768 20 0 GFADRO C[NH+](C)[C@H]1CCCN(S(=O)(=O)c2cc(Cl)cc(Br)c2)C1 ZINC000656899887 566178916 /nfs/dbraw/zinc/17/89/16/566178916.db2.gz XMPASJIAFADBCU-LBPRGKRZSA-N 1 0 381.723 2.817 20 0 GFADRO C[C@@H](Cc1ccc(F)c(Br)c1)NC(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000612977914 566180310 /nfs/dbraw/zinc/18/03/10/566180310.db2.gz RQDSSTWEIHHIBF-NHYWBVRUSA-N 1 0 384.293 2.961 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)NCCn1ccc(C(F)(F)F)n1)c1ccsc1 ZINC000634814573 566180487 /nfs/dbraw/zinc/18/04/87/566180487.db2.gz BNSMXBBJMNKWJH-GFCCVEGCSA-N 1 0 375.420 2.566 20 0 GFADRO COc1cc(Cl)c(C)cc1NC(=O)CC[NH2+][C@H]1CCCS(=O)(=O)CC1 ZINC000634967045 566186331 /nfs/dbraw/zinc/18/63/31/566186331.db2.gz DPCNRVYYUXCLJF-ZDUSSCGKSA-N 1 0 388.917 2.543 20 0 GFADRO O=S1(=O)CCC[C@H]([NH2+][C@@H](CCO)c2cccc(OC(F)(F)F)c2)CC1 ZINC000634984720 566188006 /nfs/dbraw/zinc/18/80/06/566188006.db2.gz AFSYLXQTJVBRNA-ZFWWWQNUSA-N 1 0 381.416 2.566 20 0 GFADRO OCC[NH2+]C1CCN(Cc2ccc(OC(F)(F)F)c(Br)c2)CC1 ZINC000635002562 566188505 /nfs/dbraw/zinc/18/85/05/566188505.db2.gz URTBGGUPTOJHHW-UHFFFAOYSA-N 1 0 397.235 2.894 20 0 GFADRO COc1cccc(Cl)c1NC(=O)C(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000635025249 566189552 /nfs/dbraw/zinc/18/95/52/566189552.db2.gz DMYOZUWLRHTNLR-GFCCVEGCSA-N 1 0 381.885 2.768 20 0 GFADRO C[N@H+](CCCNC(=O)C1CCC1)C[C@@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000683228221 566190459 /nfs/dbraw/zinc/19/04/59/566190459.db2.gz JHCUDWWZTLCRIH-CQSZACIVSA-N 1 0 389.323 2.971 20 0 GFADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)c2cc(F)c(Cl)c(N)c2Cl)C1 ZINC000635138365 566195448 /nfs/dbraw/zinc/19/54/48/566195448.db2.gz IMHIZTWDWHNDKY-SNVBAGLBSA-N 1 0 378.275 2.801 20 0 GFADRO O=C(NC[C@H]1CCCC[N@@H+]1C1CC1)N[C@H](CO)c1ccc(Br)cc1 ZINC000683391855 566197914 /nfs/dbraw/zinc/19/79/14/566197914.db2.gz REEZWYQZFIKQHP-IAGOWNOFSA-N 1 0 396.329 2.799 20 0 GFADRO C[C@@H](NC(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)c1ccc(Br)cc1 ZINC000683708655 566210686 /nfs/dbraw/zinc/21/06/86/566210686.db2.gz DSBVARCVVVSPRP-XYPHTWIQSA-N 1 0 396.329 2.751 20 0 GFADRO O=C1CSc2ncnc(NC[C@H]3CCC[N@H+](Cc4cccs4)C3)c2N1 ZINC000683748218 566212167 /nfs/dbraw/zinc/21/21/67/566212167.db2.gz BAJMHHYTGHFKCF-GFCCVEGCSA-N 1 0 375.523 2.906 20 0 GFADRO CCc1c[nH]c(CC(=O)N(CC[NH+](C)C)Cc2ccc(Br)cc2)n1 ZINC000635444362 566213412 /nfs/dbraw/zinc/21/34/12/566213412.db2.gz QCWHFZBUMDMBSS-UHFFFAOYSA-N 1 0 393.329 2.868 20 0 GFADRO C[C@H](C(=O)N1CCC(C(=O)Nc2cccc(Br)c2)CC1)[NH+](C)C ZINC000635466206 566214701 /nfs/dbraw/zinc/21/47/01/566214701.db2.gz SYIHSBDYJFFXLV-GFCCVEGCSA-N 1 0 382.302 2.576 20 0 GFADRO CC(C)(C[NH+]1CCOCC1)C(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000635577894 566219965 /nfs/dbraw/zinc/21/99/65/566219965.db2.gz UQMKAQHUVNDFDG-UHFFFAOYSA-N 1 0 376.341 2.688 20 0 GFADRO CC[NH+](CC)CCN(Cc1ccc(Cl)cc1)S(=O)(=O)C[C@H]1CCOC1 ZINC000657122384 566226749 /nfs/dbraw/zinc/22/67/49/566226749.db2.gz VPZIYGFFBNOOHI-KRWDZBQOSA-N 1 0 388.961 2.850 20 0 GFADRO CC[NH+](CC)CCS(=O)(=O)N(C)[C@H](CO)c1cccc(Cl)c1Cl ZINC000657135136 566228309 /nfs/dbraw/zinc/22/83/09/566228309.db2.gz PRKFPRRSGIERQF-CQSZACIVSA-N 1 0 383.341 2.630 20 0 GFADRO CS[C@@H](CO)[C@H](C)[NH2+]Cc1cccc(OCc2ccccc2-c2nn[nH]n2)c1 ZINC000737169880 598887656 /nfs/dbraw/zinc/88/76/56/598887656.db2.gz FQMSTBFXCXLPHJ-LIRRHRJNSA-N 1 0 399.520 2.648 20 0 GFADRO C[NH+](C)CCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)NCCCC(C)(C)C ZINC000736766911 598908714 /nfs/dbraw/zinc/90/87/14/598908714.db2.gz IZATXNJSDAEMAT-UHFFFAOYSA-N 1 0 387.532 2.766 20 0 GFADRO O=C(C=Cc1ccccc1-c1nn[nH]n1)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000737804011 598928306 /nfs/dbraw/zinc/92/83/06/598928306.db2.gz XWBTXGFKANWODY-HSNDNRACSA-N 1 0 388.475 2.661 20 0 GFADRO COc1cccc([C@H](CNc2c3ccccc3nnc2-c2nn[nH]n2)[NH+](C)C)c1 ZINC000737129077 598935051 /nfs/dbraw/zinc/93/50/51/598935051.db2.gz YKWZNIAZPHOCLI-KRWDZBQOSA-N 1 0 390.451 2.533 20 0 GFADRO CCOc1ccc([C@H](C)[NH2+][C@@H]2CCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)cc1 ZINC000736638099 598959617 /nfs/dbraw/zinc/95/96/17/598959617.db2.gz TZHILMSKCRXBHZ-IFXJQAMLSA-N 1 0 392.463 2.722 20 0 GFADRO COc1ccc(C)cc1[C@H](C)[NH2+][C@H]1CCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000737076343 598959924 /nfs/dbraw/zinc/95/99/24/598959924.db2.gz QGQHHDYPTHSAHJ-KSSFIOAISA-N 1 0 392.463 2.640 20 0 GFADRO c1ccc2c(c1)nnc(-c1nn[nH]n1)c2N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000738436348 598962738 /nfs/dbraw/zinc/96/27/38/598962738.db2.gz GDXOZFNQEAIEDT-UHFFFAOYSA-N 1 0 392.511 2.902 20 0 GFADRO COc1ccc(CCC[N@H+](C)CCOc2ccc(-c3nn[nH]n3)cc2OC)cc1 ZINC000737089862 598983475 /nfs/dbraw/zinc/98/34/75/598983475.db2.gz XXPXZWHEOLYMSU-UHFFFAOYSA-N 1 0 397.479 2.827 20 0 GFADRO CCC[N@H+](CCC(=O)Nc1ccc(-c2nn[nH]n2)cc1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000736472721 598989234 /nfs/dbraw/zinc/98/92/34/598989234.db2.gz XKDWFPNGCXUNIB-BHIYHBOVSA-N 1 0 398.511 2.721 20 0 GFADRO C[C@@H](O)C[C@H](C)C[NH2+]Cc1cccc(OCc2ccccc2-c2nn[nH]n2)c1 ZINC000736146150 599010780 /nfs/dbraw/zinc/01/07/80/599010780.db2.gz XOASMCFYHNHZOG-JKSUJKDBSA-N 1 0 381.480 2.942 20 0 GFADRO C[C@@H](O)C[C@@H](C)C[NH2+]Cc1cccc(OCc2cccc(-c3nn[nH]n3)c2)c1 ZINC000736142749 599010934 /nfs/dbraw/zinc/01/09/34/599010934.db2.gz GQVDFGSLUSGVHB-HZPDHXFCSA-N 1 0 381.480 2.942 20 0 GFADRO C[N@@H+]1CCC[C@H](CNC(=O)c2sccc2-c2nn[nH]n2)[C@@H]1c1cccs1 ZINC000736858213 599085286 /nfs/dbraw/zinc/08/52/86/599085286.db2.gz RMOJCHHDXRBESD-BXUZGUMPSA-N 1 0 388.522 2.803 20 0 GFADRO CCC[N@H+](C)C[C@H]1CCN(c2c(-c3nn[nH]n3)cnc3c(F)ccc(F)c32)C1 ZINC000821087431 599092640 /nfs/dbraw/zinc/09/26/40/599092640.db2.gz BFGVDSYNXMELSK-GFCCVEGCSA-N 1 0 387.438 2.861 20 0 GFADRO Cc1oc(NC(=O)C[N@@H+]2CC[C@H](Cc3ccccc3)C2)c(-c2nn[nH]n2)c1C ZINC000737552427 599136691 /nfs/dbraw/zinc/13/66/91/599136691.db2.gz PUGUYEPGHLSQRM-MRXNPFEDSA-N 1 0 380.452 2.580 20 0 GFADRO C[NH+](C)CC1CCN(c2ccc(NCc3ccc(-c4nn[nH]n4)o3)cc2)CC1 ZINC000821583105 607317886 /nfs/dbraw/zinc/31/78/86/607317886.db2.gz IRLAZNPCOCAESB-UHFFFAOYSA-N 1 0 381.484 2.850 20 0 GFADRO Cc1ccc([C@@H](CNC(=O)C=Cc2ccccc2-c2nn[nH]n2)[NH+]2CCCC2)o1 ZINC000737320271 598234311 /nfs/dbraw/zinc/23/43/11/598234311.db2.gz JSJRSKDEBMBHTE-SXAWMYDMSA-N 1 0 392.463 2.735 20 0 GFADRO COC(=O)c1ccc(C[NH+]2CCC(Oc3cccc(-c4nn[nH]n4)c3)CC2)cc1 ZINC000736947253 598248949 /nfs/dbraw/zinc/24/89/49/598248949.db2.gz HPPNJDDRSSYMSO-UHFFFAOYSA-N 1 0 393.447 2.697 20 0 GFADRO O=C(CC[N@@H+]1CCc2[nH]c3ccccc3c2C1)Nc1ccccc1-c1nn[nH]n1 ZINC000737847368 598251713 /nfs/dbraw/zinc/25/17/13/598251713.db2.gz QZBFCOFGKQDBSD-UHFFFAOYSA-N 1 0 387.447 2.735 20 0 GFADRO COc1c(C)cc(C[N@H+](C)CCC(=O)Nc2ccc(-c3nn[nH]n3)cc2)cc1C ZINC000737023910 598258224 /nfs/dbraw/zinc/25/82/24/598258224.db2.gz QAVCSIQUVCVMJM-UHFFFAOYSA-N 1 0 394.479 2.953 20 0 GFADRO CCOc1ccccc1[C@H](CC)[NH2+]Cc1cnc2c(-c3nn[nH]n3)cnn2c1 ZINC000736652765 598275270 /nfs/dbraw/zinc/27/52/70/598275270.db2.gz BHJVXHKCQVXSSP-INIZCTEOSA-N 1 0 378.440 2.549 20 0 GFADRO CCOc1ccccc1[C@@H](CC)[NH2+]Cc1cnc2c(-c3nn[nH]n3)cnn2c1 ZINC000736652769 598275502 /nfs/dbraw/zinc/27/55/02/598275502.db2.gz BHJVXHKCQVXSSP-MRXNPFEDSA-N 1 0 378.440 2.549 20 0 GFADRO CC(C)[N@H+](C)CCNC(=O)Nc1ccc(Oc2ccc(-c3nn[nH]n3)cc2)nc1 ZINC000735857571 598304806 /nfs/dbraw/zinc/30/48/06/598304806.db2.gz VOJRQDFVVVYHHJ-UHFFFAOYSA-N 1 0 396.455 2.516 20 0 GFADRO S=C(Nc1ccc(-c2nn[nH]n2)c(Cl)c1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000738400525 598321159 /nfs/dbraw/zinc/32/11/59/598321159.db2.gz FWFRFXDOTNUNOA-ZDUSSCGKSA-N 1 0 391.932 2.777 20 0 GFADRO C[C@@H](CNC(=S)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)[NH+]1CCCCC1 ZINC000736026859 598321881 /nfs/dbraw/zinc/32/18/81/598321881.db2.gz ZGIUGLVHMYMEPF-NSHDSACASA-N 1 0 379.921 2.681 20 0 GFADRO Cc1nn(C)c(Cl)c1[C@@H]1CCC[N@@H+]1CCOc1ccc(-c2nn[nH]n2)cc1 ZINC000737511971 598368450 /nfs/dbraw/zinc/36/84/50/598368450.db2.gz QEBIMGFVGJNWQN-HNNXBMFYSA-N 1 0 387.875 2.778 20 0 GFADRO O[C@H](c1ccccc1)[C@@H]1CCCC[N@@H+]1CCOc1ccccc1-c1nn[nH]n1 ZINC000738387260 598396616 /nfs/dbraw/zinc/39/66/16/598396616.db2.gz OZMVDVKYZUPBMK-AZUAARDMSA-N 1 0 379.464 2.834 20 0 GFADRO C[N@@H+]1CCC[C@H](NC(=O)c2ccc(Oc3cccc(F)c3-c3nn[nH]n3)cc2)C1 ZINC000736859426 598401773 /nfs/dbraw/zinc/40/17/73/598401773.db2.gz ZKRNXACAFFEGTR-AWEZNQCLSA-N 1 0 396.426 2.622 20 0 GFADRO Fc1ccc(Cl)c2c1ncc(-c1nn[nH]n1)c2N1CC[C@H]([NH+]2CCCC2)C1 ZINC000737661597 598421537 /nfs/dbraw/zinc/42/15/37/598421537.db2.gz ZIRTUTXEMZZIOQ-NSHDSACASA-N 1 0 387.850 2.882 20 0 GFADRO CC(C)N(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)NC[C@H](C)[NH+]1CCC(C)CC1 ZINC000736275265 598429942 /nfs/dbraw/zinc/42/99/42/598429942.db2.gz BHNXNUCIYNUWED-KRWDZBQOSA-N 1 0 399.543 2.907 20 0 GFADRO COc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2cccc(-c3nn[nH]n3)c2)cc1F ZINC000737074079 598453566 /nfs/dbraw/zinc/45/35/66/598453566.db2.gz VEOMUAKHBSKWQS-VXGBXAGGSA-N 1 0 384.415 2.692 20 0 GFADRO C[C@@H](C[N@H+](C)[C@@H]1CCN(c2ccc(-c3nn[nH]n3)cc2)C1=O)c1ccccc1 ZINC000735999237 598461922 /nfs/dbraw/zinc/46/19/22/598461922.db2.gz CJOIXLQAGHEIPP-HNAYVOBHSA-N 1 0 376.464 2.708 20 0 GFADRO O=C(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)Nc1cccc(-c2nn[nH]n2)c1 ZINC000738051029 598468442 /nfs/dbraw/zinc/46/84/42/598468442.db2.gz XJBGNTWFHKKUMI-KRWDZBQOSA-N 1 0 391.479 2.553 20 0 GFADRO C[C@H](NC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1)c1ccc(-c2nn[nH]n2)cc1 ZINC000736111828 598483077 /nfs/dbraw/zinc/48/30/77/598483077.db2.gz FZMJOWPEMDZJGT-MAUKXSAKSA-N 1 0 383.500 2.588 20 0 GFADRO CCCC[C@H]([NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1ccc(OC)cc1 ZINC000736437117 598528889 /nfs/dbraw/zinc/52/88/89/598528889.db2.gz HBUQUGYAICSICJ-KSSFIOAISA-N 1 0 396.499 2.635 20 0 GFADRO CC(C)c1ccc(C(C)(C)[NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)cc1 ZINC000735923453 598530262 /nfs/dbraw/zinc/53/02/62/598530262.db2.gz UIYFRQRKUBCHKU-AWEZNQCLSA-N 1 0 380.500 2.753 20 0 GFADRO CC1(C)CC[C@H]([NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)c2ccccc21 ZINC000736210217 598530542 /nfs/dbraw/zinc/53/05/42/598530542.db2.gz HFEFGGYHEUXRRS-DYVFJYSZSA-N 1 0 378.484 2.507 20 0 GFADRO CC(C)(C[NH2+]Cc1cnc2c(-c3nn[nH]n3)cnn2c1)c1ccccc1Cl ZINC000735671021 598554083 /nfs/dbraw/zinc/55/40/83/598554083.db2.gz ZUGCDGZNGZIMHZ-UHFFFAOYSA-N 1 0 382.859 2.630 20 0 GFADRO C[C@@H](Cn1ccnc1)[NH2+]Cc1cccc(OCc2ccccc2-c2nn[nH]n2)c1 ZINC000736096428 598561241 /nfs/dbraw/zinc/56/12/41/598561241.db2.gz MABQXUDRZXHGGJ-INIZCTEOSA-N 1 0 389.463 2.821 20 0 GFADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)Nc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC000736226843 598628786 /nfs/dbraw/zinc/62/87/86/598628786.db2.gz IHTHRYHAEAZWLF-OKILXGFUSA-N 1 0 389.479 2.885 20 0 GFADRO Clc1nsc(NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)c1-c1nn[nH]n1 ZINC000737585014 598675407 /nfs/dbraw/zinc/67/54/07/598675407.db2.gz WOJQWBSQEMCRLN-ZDUSSCGKSA-N 1 0 389.916 2.953 20 0 GFADRO O=C(CCCCOc1cccc(-c2nn[nH]n2)c1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000737832257 598687160 /nfs/dbraw/zinc/68/71/60/598687160.db2.gz HTAZMEFPBRUPDH-GOSISDBHSA-N 1 0 398.511 2.503 20 0 GFADRO C[N@@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)CCCCOc1cccc(-c2nn[nH]n2)c1 ZINC000736860488 598688241 /nfs/dbraw/zinc/68/82/41/598688241.db2.gz RLPGIDPEXZYJSH-RTBURBONSA-N 1 0 398.511 2.501 20 0 GFADRO c1cc(OC2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)cc(-c2nn[nH]n2)c1 ZINC000738420167 598702571 /nfs/dbraw/zinc/70/25/71/598702571.db2.gz XIXKAVPVBZUZAL-UHFFFAOYSA-N 1 0 377.448 2.845 20 0 GFADRO Brc1ccccc1N1CC[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC000735375653 598713504 /nfs/dbraw/zinc/71/35/04/598713504.db2.gz NZIXVDHGMCKFMM-HNNXBMFYSA-N 1 0 399.296 2.998 20 0 GFADRO CCc1nc(CN2CCC(C[NH2+]Cc3cccc(-c4nn[nH]n4)c3)CC2)cs1 ZINC000736704319 598713928 /nfs/dbraw/zinc/71/39/28/598713928.db2.gz LYZIJSQBQPNRLI-UHFFFAOYSA-N 1 0 397.552 2.887 20 0 GFADRO CCCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)NC[C@@H]1CCCC[N@@H+]1CC ZINC000736481789 598716903 /nfs/dbraw/zinc/71/69/03/598716903.db2.gz UZMKSFLQVRHEFY-SFHVURJKSA-N 1 0 385.516 2.663 20 0 GFADRO CC1CC[NH+](C[C@@H]2CCCN(C(=O)NCc3cccc(-c4nn[nH]n4)c3)C2)CC1 ZINC000736274559 598725738 /nfs/dbraw/zinc/72/57/38/598725738.db2.gz ACNFSJRYQONBOQ-SFHVURJKSA-N 1 0 397.527 2.520 20 0 GFADRO CC1CC[NH+](C[C@@H]2CCCN(C(=O)NCc3ccc(-c4nn[nH]n4)cc3)C2)CC1 ZINC000736275110 598725884 /nfs/dbraw/zinc/72/58/84/598725884.db2.gz GVBAYPMIQAEXMV-SFHVURJKSA-N 1 0 397.527 2.520 20 0 GFADRO C[C@](O)(C[NH+]1CCC(Oc2ccc(-c3nn[nH]n3)cc2)CC1)c1ccccc1 ZINC000736139869 598764837 /nfs/dbraw/zinc/76/48/37/598764837.db2.gz XYWYIDCAUZOPSS-NRFANRHFSA-N 1 0 379.464 2.618 20 0 GFADRO CCCC[N@H+](C)CCNC(=O)c1ccc(Oc2ccc(-c3nn[nH]n3)cn2)cc1 ZINC000736454453 598767934 /nfs/dbraw/zinc/76/79/34/598767934.db2.gz ZPVYIQCZTOFHJO-UHFFFAOYSA-N 1 0 395.467 2.516 20 0 GFADRO C[C@@H](CN1CCOCC1)[N@H+](Cc1ccccc1)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000736010701 598809283 /nfs/dbraw/zinc/80/92/83/598809283.db2.gz VJRYJWOUAVCETE-SFHVURJKSA-N 1 0 392.507 2.590 20 0 GFADRO CC(=O)Nc1cccc([C@@H](C)[NH2+]CCC(=O)Nc2cccc(-c3nn[nH]n3)c2)c1 ZINC000819826053 599300738 /nfs/dbraw/zinc/30/07/38/599300738.db2.gz DTQBMLKOLUHVSY-CYBMUJFWSA-N 1 0 393.451 2.505 20 0 GFADRO COc1ccc([C@H](C)[N@H+](C)CCC(=O)Nc2cccc(-c3nn[nH]n3)c2)cc1 ZINC000821778297 599302235 /nfs/dbraw/zinc/30/22/35/599302235.db2.gz XVEBMVHZTVWPCN-AWEZNQCLSA-N 1 0 380.452 2.897 20 0 GFADRO C[C@H](c1ccc(-c2nn[nH]n2)cc1)[N@@H+]1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000736195254 599312819 /nfs/dbraw/zinc/31/28/19/599312819.db2.gz FICYZDSAHMGZRV-ACJLOTCBSA-N 1 0 395.442 2.963 20 0 GFADRO C[C@@H]1CCC[N@@H+]1CCNC(=O)c1ccccc1-c1ccccc1-c1nn[nH]n1 ZINC000736277867 599318445 /nfs/dbraw/zinc/31/84/45/599318445.db2.gz NKABXKWGLHYMKC-OAHLLOKOSA-N 1 0 376.464 2.748 20 0 GFADRO C[C@@H]([NH2+]CCCCN1C(=O)c2ccccc2C1=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000820419439 599375618 /nfs/dbraw/zinc/37/56/18/599375618.db2.gz GUQINTQDELDPMS-CQSZACIVSA-N 1 0 390.447 2.594 20 0 GFADRO CC(=O)c1cccc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2cccc(-c3nn[nH]n3)c2)c1 ZINC000819844417 599390563 /nfs/dbraw/zinc/39/05/63/599390563.db2.gz HLHAFCBJVWWBKX-STQMWFEESA-N 1 0 378.436 2.747 20 0 GFADRO C[C@@H]([NH2+][C@H](C)c1cccc(-c2nn[nH]n2)c1)C(=O)N1CCCc2ccccc21 ZINC000820410757 599390971 /nfs/dbraw/zinc/39/09/71/599390971.db2.gz GMPSMCDCXWCEKX-HUUCEWRRSA-N 1 0 376.464 2.885 20 0 GFADRO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2cccc(-c3nn[nH]n3)c2)c(OC)c1 ZINC000821831587 599391996 /nfs/dbraw/zinc/39/19/96/599391996.db2.gz DZGXUFOKTWMGIB-QWHCGFSZSA-N 1 0 396.451 2.562 20 0 GFADRO COc1ccc([C@@H](CNc2cccc(-c3nn[nH]n3)n2)[NH+]2CCCCC2)cc1 ZINC000737073613 599395508 /nfs/dbraw/zinc/39/55/08/599395508.db2.gz GBVGGUQSZKYXOB-GOSISDBHSA-N 1 0 379.468 2.909 20 0 GFADRO COc1ccc(C[NH2+]Cc2ccnc(OCC(F)(F)F)c2)cc1-c1nn[nH]n1 ZINC000821817948 599404280 /nfs/dbraw/zinc/40/42/80/599404280.db2.gz DECVRYOCUXVTJO-UHFFFAOYSA-N 1 0 394.357 2.501 20 0 GFADRO COc1ccccc1C[NH+]1CCN(c2cc(Cl)ccc2-c2nn[nH]n2)CC1 ZINC000737148912 599427156 /nfs/dbraw/zinc/42/71/56/599427156.db2.gz AXTUPURFPSFAGS-UHFFFAOYSA-N 1 0 384.871 2.851 20 0 GFADRO COc1cc(C[N@H+](C)C(C)(C)CO)ccc1OCc1cccc(-c2nn[nH]n2)c1 ZINC000737044757 599444206 /nfs/dbraw/zinc/44/42/06/599444206.db2.gz DZTHRCNUFDYBKV-UHFFFAOYSA-N 1 0 397.479 2.657 20 0 GFADRO Fc1ccc(NCCC[NH+]2CCN(c3ccccc3)CC2)c(-c2nn[nH]n2)c1 ZINC000822779708 599472251 /nfs/dbraw/zinc/47/22/51/599472251.db2.gz ZPSMNUXVTIPONW-UHFFFAOYSA-N 1 0 381.459 2.630 20 0 GFADRO Brc1cccc(C[NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)c1 ZINC000735369801 599486129 /nfs/dbraw/zinc/48/61/29/599486129.db2.gz WXPUSLJMOCRHFZ-UHFFFAOYSA-N 1 0 384.241 2.567 20 0 GFADRO CC(C)CN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000735830792 599491313 /nfs/dbraw/zinc/49/13/13/599491313.db2.gz JDGJAJFKSYMSIK-LJQANCHMSA-N 1 0 397.527 2.519 20 0 GFADRO CCCC[NH+]1CCC(Nc2c(-c3nn[nH]n3)cnc3c(C)cc(F)cc32)CC1 ZINC000821066759 599498216 /nfs/dbraw/zinc/49/82/16/599498216.db2.gz WVNSFRBOBMEBPG-UHFFFAOYSA-N 1 0 383.475 2.961 20 0 GFADRO Fc1ccc(F)c2c1ncc(-c1nn[nH]n1)c2NCC[NH+]1Cc2ccccc2C1 ZINC000822774612 599501554 /nfs/dbraw/zinc/50/15/54/599501554.db2.gz NQDNRJNOBLCNMO-UHFFFAOYSA-N 1 0 393.401 2.543 20 0 GFADRO C[C@@H]1CN(c2cc(Cl)ccc2-c2nn[nH]n2)CC[N@@H+]1C[C@H](O)c1ccccc1 ZINC000820769791 599530623 /nfs/dbraw/zinc/53/06/23/599530623.db2.gz WQLMMTQUUMHJMY-KUHUBIRLSA-N 1 0 398.898 2.764 20 0 GFADRO Cc1cc(F)cc2c1ncc(-c1nn[nH]n1)c2N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000822204292 599545035 /nfs/dbraw/zinc/54/50/35/599545035.db2.gz KZSVBYNNLUAFEN-HNNXBMFYSA-N 1 0 381.459 2.927 20 0 GFADRO C[C@H]1C[C@@H](N(C)C(=O)c2ccc(-c3nn[nH]n3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000736231834 599554410 /nfs/dbraw/zinc/55/44/10/599554410.db2.gz YGBMQKNIHZUXKD-JXFKEZNVSA-N 1 0 390.491 2.992 20 0 GFADRO C[C@@H](CC[NH+](C)C)NC(=O)c1cccc(Nc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000735986340 599569101 /nfs/dbraw/zinc/56/91/01/599569101.db2.gz MZSDNPGKWGRHMT-AWEZNQCLSA-N 1 0 379.468 2.680 20 0 GFADRO Cc1cc(C)c(-c2nn[nH]n2)c(N[C@@H](C)C[NH+]2CCN(c3ccccc3)CC2)n1 ZINC000822193458 599576797 /nfs/dbraw/zinc/57/67/97/599576797.db2.gz YRMCESBCUSJZLJ-KRWDZBQOSA-N 1 0 392.511 2.501 20 0 GFADRO CCc1ccc(N2CC[NH+](CCOc3cccc(-c4nn[nH]n4)c3)CC2)cc1 ZINC000821487066 599590952 /nfs/dbraw/zinc/59/09/52/599590952.db2.gz PEIRXOFVDYSKBT-UHFFFAOYSA-N 1 0 378.480 2.630 20 0 GFADRO CN(C[C@@H]1CCC[N@@H+]1Cc1cc(-c2nn[nH]n2)ccc1F)C(=O)OC(C)(C)C ZINC000821596372 599591305 /nfs/dbraw/zinc/59/13/05/599591305.db2.gz IHPJSFNISODJNC-HNNXBMFYSA-N 1 0 390.463 2.837 20 0 GFADRO O[C@@H](C[C@H]1CCC[N@@H+]1CCOc1cccc(-c2nn[nH]n2)c1)c1ccccc1 ZINC000823672882 599593694 /nfs/dbraw/zinc/59/36/94/599593694.db2.gz HQARBBCXXPKVHH-QUCCMNQESA-N 1 0 379.464 2.834 20 0 GFADRO C[C@H](NC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000736110932 599608625 /nfs/dbraw/zinc/60/86/25/599608625.db2.gz CUWBEVVPFUZTOQ-YJBOKZPZSA-N 1 0 383.500 2.588 20 0 GFADRO C[C@H]1CCN(CC[NH2+]Cc2cccc(OCc3ccccc3-c3nn[nH]n3)c2)C1 ZINC000820723213 599647091 /nfs/dbraw/zinc/64/70/91/599647091.db2.gz XLVYMWOCHGOKMA-KRWDZBQOSA-N 1 0 392.507 2.877 20 0 GFADRO Cc1cccc(NC[C@H]2CC[N@@H+]([C@@H](C)C(=O)NCc3ccc(C(=O)[O-])cc3)C2)[nH+]1 ZINC000738736484 600094178 /nfs/dbraw/zinc/09/41/78/600094178.db2.gz NOWTXBIBQUWDHF-FUHWJXTLSA-N 1 0 396.491 2.527 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)NC1(c2cccc(-c3nn[nH]n3)c2)CC1)C1CCCCC1 ZINC000825851995 607450035 /nfs/dbraw/zinc/45/00/35/607450035.db2.gz ZSQVOHJEVLVJFQ-GOSISDBHSA-N 1 0 397.527 2.666 20 0 GFADRO O=C([O-])[C@@H]([NH2+]CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1)c1ccccc1F ZINC000833167615 600749624 /nfs/dbraw/zinc/74/96/24/600749624.db2.gz ORWNERHIVLSUFC-RTWAWAEBSA-N 1 0 386.467 2.987 20 0 GFADRO CC[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)N1CCc2ccccc2C1 ZINC000820908346 607470548 /nfs/dbraw/zinc/47/05/48/607470548.db2.gz LKOGBDZJKJEWMR-LJQANCHMSA-N 1 0 380.471 2.932 20 0 GFADRO c1ccc2nc(N3CC[C@@H]4[C@@H](CCC[N@H+]4C4CC4)C3)c(-c3nn[nH]n3)cc2c1 ZINC000823802599 607473220 /nfs/dbraw/zinc/47/32/20/607473220.db2.gz UIMMGWIUGPMBQZ-HNAYVOBHSA-N 1 0 375.480 2.868 20 0 GFADRO C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@@H+]1Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC000824892392 607474021 /nfs/dbraw/zinc/47/40/21/607474021.db2.gz HROUMVOHKZCOFN-JSGCOSHPSA-N 1 0 390.463 2.883 20 0 GFADRO Fc1cc(-c2nn[nH]n2)ccc1C[NH2+]CC1(N2CCSCC2)CCCCC1 ZINC000822740327 607480873 /nfs/dbraw/zinc/48/08/73/607480873.db2.gz IJQKIXYEAQYYBL-UHFFFAOYSA-N 1 0 390.532 2.847 20 0 GFADRO c1c(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c(-c2nn[nH]n2)c2ccccn12 ZINC000826524885 607479317 /nfs/dbraw/zinc/47/93/17/607479317.db2.gz NWZIAQJDWXKXJE-MAUKXSAKSA-N 1 0 377.496 2.568 20 0 GFADRO C[C@H](NC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)c1cccc(-c2nn[nH]n2)c1 ZINC000820348676 607498250 /nfs/dbraw/zinc/49/82/50/607498250.db2.gz FQBVDLJXIIHWSI-POZUXBRTSA-N 1 0 395.511 2.586 20 0 GFADRO COc1ccc(C[N@H+](C)[C@H](C)c2ccc([S@](C)=O)cc2)cc1-c1nn[nH]n1 ZINC000826192202 607511157 /nfs/dbraw/zinc/51/11/57/607511157.db2.gz DFGSRBJKBGTFPL-QWVSSGJLSA-N 1 0 385.493 2.806 20 0 GFADRO CCCOc1cc(C[NH2+]Cc2ccc(OC)c(-c3nn[nH]n3)c2)ccc1OC ZINC000825338740 607567012 /nfs/dbraw/zinc/56/70/12/607567012.db2.gz HBTCFIWMNCISAD-UHFFFAOYSA-N 1 0 383.452 2.963 20 0 GFADRO COc1ccc(C[NH2+]Cc2c[nH]nc2-c2cccc(C)c2)cc1-c1nn[nH]n1 ZINC000826202748 607567804 /nfs/dbraw/zinc/56/78/04/607567804.db2.gz LXBCRTKJZVCHFP-UHFFFAOYSA-N 1 0 375.436 2.864 20 0 GFADRO COc1ccc(-c2nn[nH]n2)cc1CN(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000826182071 607637679 /nfs/dbraw/zinc/63/76/79/607637679.db2.gz ZBIFYVNBTINOLB-FQEVSTJZSA-N 1 0 392.507 2.972 20 0 GFADRO COc1ccc(-c2nn[nH]n2)cc1C[N@H+](CCCO)[C@H]1CCc2ccccc21 ZINC000826181478 607637993 /nfs/dbraw/zinc/63/79/93/607637993.db2.gz AGKYEPGFWMGSJD-IBGZPJMESA-N 1 0 379.464 2.747 20 0 GFADRO O=C([O-])CCC[NH+]1CCC([NH2+]C[C@@H](O)c2ccc(Cl)cc2Cl)CC1 ZINC000833774138 605223724 /nfs/dbraw/zinc/22/37/24/605223724.db2.gz YEIXWGVXBMOLRY-MRXNPFEDSA-N 1 0 375.296 2.946 20 0 GFADRO O=C([O-])N1CCOC[C@@H]1[C@H]1CCC[C@@H]1[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000834121671 605828224 /nfs/dbraw/zinc/82/82/24/605828224.db2.gz ZDSVQMRTWUCPMH-SLFFLAALSA-N 1 0 379.545 2.921 20 0 GFADRO O=C([O-])NC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000834224352 605915883 /nfs/dbraw/zinc/91/58/83/605915883.db2.gz YEWOTKWHWSVIBA-IHPCNDPISA-N 1 0 375.513 2.559 20 0 GFADRO Cc1oc(NC(=O)C[N@H+]2CC[C@H](Cc3ccccc3)[C@@H]2C)c(-c2nn[nH]n2)c1C ZINC000822548751 606114259 /nfs/dbraw/zinc/11/42/59/606114259.db2.gz NDEACCJZQJJATA-WMLDXEAASA-N 1 0 394.479 2.968 20 0 GFADRO CN(CC[NH+](C)C)C(=O)Nc1cccc(Oc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000821584373 606153610 /nfs/dbraw/zinc/15/36/10/606153610.db2.gz ALLFDKSNNBPFBQ-UHFFFAOYSA-N 1 0 381.440 2.684 20 0 GFADRO O=C(C=Cc1ccccc1-c1nn[nH]n1)NC1CCC([NH+]2CCCCC2)CC1 ZINC000822928934 606190452 /nfs/dbraw/zinc/19/04/52/606190452.db2.gz NPFMYEFAVPCZMK-JYRVWZFOSA-N 1 0 380.496 2.793 20 0 GFADRO CN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000821612177 606198508 /nfs/dbraw/zinc/19/85/08/606198508.db2.gz LYDVTJAPBBHUCW-UHFFFAOYSA-N 1 0 397.527 2.805 20 0 GFADRO Cc1nnc(N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c(-c2nn[nH]n2)c1C ZINC000822516417 606200653 /nfs/dbraw/zinc/20/06/53/606200653.db2.gz YZNLZHYNIGBQMN-SUMWQHHRSA-N 1 0 378.484 2.739 20 0 GFADRO O=C(Nc1ccc(C[NH2+]Cc2cc(-c3nn[nH]n3)cs2)cc1)c1cccnc1 ZINC000823323355 606216411 /nfs/dbraw/zinc/21/64/11/606216411.db2.gz LQWMLKFWBJAIFO-UHFFFAOYSA-N 1 0 391.460 2.865 20 0 GFADRO C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)c3cc(-c4nn[nH]n4)cn3C)cc2)C1 ZINC000820709545 606228899 /nfs/dbraw/zinc/22/88/99/606228899.db2.gz JZKDRLRJICBTRI-CQSZACIVSA-N 1 0 379.468 2.689 20 0 GFADRO C[NH+](C)[C@@]1(CNc2c(-c3nn[nH]n3)cnc3c(F)cc(F)cc32)CCSC1 ZINC000821581606 606241235 /nfs/dbraw/zinc/24/12/35/606241235.db2.gz PZKFIJVZVANLCC-QGZVFWFLSA-N 1 0 391.451 2.542 20 0 GFADRO C[N@H+](CCNC(=O)c1ccc(Sc2ccccc2-c2nn[nH]n2)cc1)C1CC1 ZINC000821602886 606262116 /nfs/dbraw/zinc/26/21/16/606262116.db2.gz ZQLXKGAYUOLSDS-UHFFFAOYSA-N 1 0 394.504 2.842 20 0 GFADRO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)c2cc(-c3nn[nH]n3)cn2C)cc1 ZINC000820702798 606280308 /nfs/dbraw/zinc/28/03/08/606280308.db2.gz ADZNCVGPZAUABW-HNNXBMFYSA-N 1 0 393.495 2.510 20 0 GFADRO O=C1[C@H]([N@@H+]2CC[C@H](c3ccccc3)C2)CCN1c1sccc1-c1nn[nH]n1 ZINC000823504097 606318380 /nfs/dbraw/zinc/31/83/80/606318380.db2.gz MALNTSWKJBHBBM-GOEBONIOSA-N 1 0 380.477 2.523 20 0 GFADRO COC(=O)[C@H](c1cccc(-c2nn[nH]n2)c1)[N@@H+]1C[C@@H](c2ccccc2)C[C@H]1C ZINC000821649716 606322542 /nfs/dbraw/zinc/32/25/42/606322542.db2.gz BUAQMICPOUJAHE-CCKFTAQKSA-N 1 0 377.448 2.959 20 0 GFADRO O=C1[C@H]([N@@H+]2CCC[C@@]3(CC=CCC3)C2)CCN1c1sccc1-c1nn[nH]n1 ZINC000823503779 606323502 /nfs/dbraw/zinc/32/35/02/606323502.db2.gz ISSLATPUANUWHN-BEFAXECRSA-N 1 0 384.509 2.856 20 0 GFADRO CC[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)N[C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000821000986 606342812 /nfs/dbraw/zinc/34/28/12/606342812.db2.gz NVVYBAKDVGWXBC-ZTFGCOKTSA-N 1 0 383.500 2.586 20 0 GFADRO CC[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)N[C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000821000985 606343155 /nfs/dbraw/zinc/34/31/55/606343155.db2.gz NVVYBAKDVGWXBC-QGTPRVQTSA-N 1 0 383.500 2.586 20 0 GFADRO C[NH+](C)Cc1ccnc(NC(=O)CCCCOc2cccc(-c3nn[nH]n3)c2)c1 ZINC000821588533 606366510 /nfs/dbraw/zinc/36/65/10/606366510.db2.gz XHGHISVENGCPKP-UHFFFAOYSA-N 1 0 395.467 2.511 20 0 GFADRO O[C@H](COc1ccc(-c2nn[nH]n2)cc1)C[NH+]1CCC(c2ccc(F)cc2)CC1 ZINC000823690134 606455973 /nfs/dbraw/zinc/45/59/73/606455973.db2.gz LODNBGNAXLHOJI-IBGZPJMESA-N 1 0 397.454 2.625 20 0 GFADRO O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)c1ccc(-c2nn[nH]n2)s1 ZINC000823250031 606521038 /nfs/dbraw/zinc/52/10/38/606521038.db2.gz QEEKRRHXKRDZKO-UHFFFAOYSA-N 1 0 382.493 2.844 20 0 GFADRO CN(C(=O)c1cc(-c2nn[nH]n2)cs1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000821573383 606523828 /nfs/dbraw/zinc/52/38/28/606523828.db2.gz OAUFILQNUHUARL-INIZCTEOSA-N 1 0 382.493 2.665 20 0 GFADRO Cc1c[nH+]ccc1N1CCC(C(=O)OCc2cc(-c3nn[nH]n3)ccc2F)CC1 ZINC000822399855 606535451 /nfs/dbraw/zinc/53/54/51/606535451.db2.gz NWTDVEFLDKBWJH-UHFFFAOYSA-N 1 0 396.426 2.669 20 0 GFADRO Cc1ccccc1C[N@@H+]1CCCN(C(=O)c2cc(-c3nn[nH]n3)cs2)CC1 ZINC000822356165 606535554 /nfs/dbraw/zinc/53/55/54/606535554.db2.gz LIGRUYWYVPSOCM-UHFFFAOYSA-N 1 0 382.493 2.585 20 0 GFADRO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)c1ccc(-c2nn[nH]n2)s1 ZINC000821190171 606550975 /nfs/dbraw/zinc/55/09/75/606550975.db2.gz ZVCOBGPKAUTJSQ-UHFFFAOYSA-N 1 0 390.435 2.665 20 0 GFADRO C[NH+]1CCC(Nc2ccccc2NC(=O)c2cc(-c3nn[nH]n3)cs2)CC1 ZINC000821623807 606556922 /nfs/dbraw/zinc/55/69/22/606556922.db2.gz SWXJVFJJTWBGKN-UHFFFAOYSA-N 1 0 383.481 2.687 20 0 GFADRO C[NH+](C)CCOc1ccc(NC(=O)c2ccc(-c3nn[nH]n3)s2)cc1Cl ZINC000821587440 606565104 /nfs/dbraw/zinc/56/51/04/606565104.db2.gz XHAQJNWFKCVKCP-UHFFFAOYSA-N 1 0 392.872 2.774 20 0 GFADRO C[N@@H+]1CCC[C@@H](CNC(=O)Cc2cccc(-c3nn[nH]n3)c2)[C@H]1c1cccs1 ZINC000821623498 606572876 /nfs/dbraw/zinc/57/28/76/606572876.db2.gz MDKCTKZWLKPFTB-LPHOPBHVSA-N 1 0 396.520 2.670 20 0 GFADRO O=C(CC[N@H+]1CC[C@@H](c2ccc(F)cc2)C1)Nc1ccccc1-c1nn[nH]n1 ZINC000822964182 606717467 /nfs/dbraw/zinc/71/74/67/606717467.db2.gz FQKYGSBYSWGRCT-OAHLLOKOSA-N 1 0 380.427 2.824 20 0 GFADRO C[C@]1(c2ccccc2)CC[N@@H+]([C@H]2CCN(c3sccc3-c3nn[nH]n3)C2=O)C1 ZINC000820633364 606717680 /nfs/dbraw/zinc/71/76/80/606717680.db2.gz AUGYNMKZOIJWAM-JXFKEZNVSA-N 1 0 394.504 2.697 20 0 GFADRO CC(C)(C)OC(=O)C[C@@H]1CCC[N@H+](Cc2ccc(F)cc2-c2nn[nH]n2)C1 ZINC000819928607 606753298 /nfs/dbraw/zinc/75/32/98/606753298.db2.gz ROVJTRWXCOVIHB-ZDUSSCGKSA-N 1 0 375.448 2.950 20 0 GFADRO CC(C)(C)OCCC[NH+]1CCC(C(=O)Nc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000819945862 606766432 /nfs/dbraw/zinc/76/64/32/606766432.db2.gz GYKKNCFWNHHBHS-UHFFFAOYSA-N 1 0 386.500 2.722 20 0 GFADRO C[NH+](C)C[C@@H]1CCCN1C(=O)c1cccc(Nc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000821583137 606791341 /nfs/dbraw/zinc/79/13/41/606791341.db2.gz JVFNIQFFCLKUPD-IBGZPJMESA-N 1 0 391.479 2.777 20 0 GFADRO Cc1cc(-c2nn[nH]n2)ccc1Oc1ccc(C(=O)N2CC[NH2+]C(C)(C)C2)cc1 ZINC000822136959 606797980 /nfs/dbraw/zinc/79/79/80/606797980.db2.gz RBGIUTOULHDITD-UHFFFAOYSA-N 1 0 392.463 2.791 20 0 GFADRO CN(C(=O)Nc1ccc(F)cc1-c1nn[nH]n1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000821572061 606806248 /nfs/dbraw/zinc/80/62/48/606806248.db2.gz PUAVPMUIBZQXFP-MRXNPFEDSA-N 1 0 395.442 2.744 20 0 GFADRO CCCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000821104976 606811141 /nfs/dbraw/zinc/81/11/41/606811141.db2.gz UGSCZWHPDCPSSG-CRAIPNDOSA-N 1 0 385.516 2.517 20 0 GFADRO C[C@H]([NH2+]C[C@H](O)c1ccc(-c2nn[nH]n2)cc1)c1ccc(OC(F)F)cc1 ZINC000820419564 606850216 /nfs/dbraw/zinc/85/02/16/606850216.db2.gz IDMDAXWRZBJXBI-ZBEGNZNMSA-N 1 0 375.379 2.852 20 0 GFADRO COc1ccc(OC)c([C@@H]2CCC[N@@H+]2C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)c1 ZINC000821841166 606850549 /nfs/dbraw/zinc/85/05/49/606850549.db2.gz FAUMAZLRFIDSDI-RBUKOAKNSA-N 1 0 395.463 2.754 20 0 GFADRO CCO[C@@H]1C[C@H]([N@H+](C)Cn2ccc(-c3ccc(-c4nn[nH]n4)cc3)n2)C12CCC2 ZINC000821359293 606854224 /nfs/dbraw/zinc/85/42/24/606854224.db2.gz NJTVHUGIKUUZER-RBUKOAKNSA-N 1 0 393.495 2.967 20 0 GFADRO O[C@@H](C[NH2+]Cc1ccccc1OCC(F)(F)F)c1ccc(-c2nn[nH]n2)cc1 ZINC000823689532 606857371 /nfs/dbraw/zinc/85/73/71/606857371.db2.gz HDMLKUQXJBUOMQ-HNNXBMFYSA-N 1 0 393.369 2.631 20 0 GFADRO c1c(C[NH2+]CCSCc2ccccc2-c2nn[nH]n2)[nH]nc1-c1cccnc1 ZINC000823816812 606868981 /nfs/dbraw/zinc/86/89/81/606868981.db2.gz ZBLHKYWMBAQKGT-UHFFFAOYSA-N 1 0 392.492 2.675 20 0 GFADRO COc1ccc(C[NH2+]C[C@@H](O)c2cc3ccccc3s2)cc1-c1nn[nH]n1 ZINC000821808479 606869654 /nfs/dbraw/zinc/86/96/54/606869654.db2.gz GWYBNJLJXDBSEG-OAHLLOKOSA-N 1 0 381.461 2.913 20 0 GFADRO CCC[C@@H]1CCC[N@H+](CC(=O)Nc2c(-c3nn[nH]n3)cnn2-c2ccccc2)C1 ZINC000821039489 606880448 /nfs/dbraw/zinc/88/04/48/606880448.db2.gz CPHKXEQMRMRKFA-OAHLLOKOSA-N 1 0 394.483 2.503 20 0 GFADRO COc1cc(C[N@H+](C)CCCOc2cccc(-c3nn[nH]n3)c2)cc(OC)c1 ZINC000821713444 606887502 /nfs/dbraw/zinc/88/75/02/606887502.db2.gz XVELZLILEJELBY-UHFFFAOYSA-N 1 0 383.452 2.785 20 0 GFADRO C[N@H+](CCCOc1cccc(-c2nn[nH]n2)c1)Cc1ccc([S@@](C)=O)cc1 ZINC000821600443 606909604 /nfs/dbraw/zinc/90/96/04/606909604.db2.gz MXOHSBLKAHPSAD-HHHXNRCGSA-N 1 0 385.493 2.505 20 0 GFADRO CCc1nnc(NC[C@@H](c2cccc(OC)c2)[NH+](C)C)c(-c2nn[nH]n2)c1CC ZINC000821535640 606910000 /nfs/dbraw/zinc/91/00/00/606910000.db2.gz MLSNTLFVDMKGOY-KRWDZBQOSA-N 1 0 396.499 2.505 20 0 GFADRO OCC[N@H+](CCCOc1cccc(-c2nn[nH]n2)c1)[C@@H]1CCc2ccccc21 ZINC000823723064 606910510 /nfs/dbraw/zinc/91/05/10/606910510.db2.gz ZUKBKGUAVQWRIK-HXUWFJFHSA-N 1 0 379.464 2.617 20 0 GFADRO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1cc(-c2nn[nH]n2)ccc1OC(C)C ZINC000820993712 606915799 /nfs/dbraw/zinc/91/57/99/606915799.db2.gz ARITUQKIFMAZFU-CVEARBPZSA-N 1 0 399.499 2.744 20 0 GFADRO COC(=O)[C@@H](C)[C@@H]([NH2+]CCCOc1cccc(-c2nn[nH]n2)c1)c1ccccc1 ZINC000821638940 606930071 /nfs/dbraw/zinc/93/00/71/606930071.db2.gz LRCSVBMSWIGFHT-HNAYVOBHSA-N 1 0 395.463 2.776 20 0 GFADRO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000820705023 606936310 /nfs/dbraw/zinc/93/63/10/606936310.db2.gz RMDHMZHJJCHELO-KRWDZBQOSA-N 1 0 396.539 2.912 20 0 GFADRO CC(C)(C)OC(=O)NC[C@H]1CCC[N@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC000819940007 606965359 /nfs/dbraw/zinc/96/53/59/606965359.db2.gz NHIVPXOJHQXNIJ-CQSZACIVSA-N 1 0 390.463 2.743 20 0 GFADRO Cc1ccc(NC(=O)C2CC[NH+](Cc3ccc(F)c(-c4nn[nH]n4)c3)CC2)nc1 ZINC000822242848 606966528 /nfs/dbraw/zinc/96/65/28/606966528.db2.gz ZYRFUSAEVQOSGV-UHFFFAOYSA-N 1 0 395.442 2.560 20 0 GFADRO COc1ccc([C@H](C)[NH2+]Cc2cccc(-c3nn[nH]n3)c2)cc1Cn1cccn1 ZINC000821778132 606997217 /nfs/dbraw/zinc/99/72/17/606997217.db2.gz VGJATTOJCBIFQB-HNNXBMFYSA-N 1 0 389.463 2.971 20 0 GFADRO C[C@@H]([NH2+][C@@H](C)c1ccc(-c2nn[nH]n2)cc1)c1cccc(NS(C)(=O)=O)c1 ZINC000820413673 607015315 /nfs/dbraw/zinc/01/53/15/607015315.db2.gz TWWIRWGEISEUEM-QWHCGFSZSA-N 1 0 386.481 2.650 20 0 GFADRO C[N@@H+]1CCC[C@@H]2CN(c3c(-c4nn[nH]n4)cnc4c(F)ccc(F)c43)CC[C@H]21 ZINC000821625756 607031282 /nfs/dbraw/zinc/03/12/82/607031282.db2.gz VHYYTYGLMCVVKR-IAQYHMDHSA-N 1 0 385.422 2.614 20 0 GFADRO Cc1cc(F)cc2c1ncc(-c1nn[nH]n1)c2N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000822204062 607031504 /nfs/dbraw/zinc/03/15/04/607031504.db2.gz BXUCJQGGFDMVGB-DYVFJYSZSA-N 1 0 381.459 2.783 20 0 GFADRO Cc1ccc2c(c1)CC[C@H]2[NH2+]C1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1 ZINC000822274578 607048254 /nfs/dbraw/zinc/04/82/54/607048254.db2.gz BONJXEXBPOLHLM-LJQANCHMSA-N 1 0 375.480 2.816 20 0 GFADRO c1cc2c(s1)CCC[C@@H]2[NH2+]C1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1 ZINC000823767161 607048763 /nfs/dbraw/zinc/04/87/63/607048763.db2.gz OBIWHRHUGDHTIB-INIZCTEOSA-N 1 0 381.509 2.959 20 0 GFADRO Cc1nc2c(s1)[C@H]([NH2+]C1CCN(c3ccc(-c4nn[nH]n4)cn3)CC1)CCC2 ZINC000822459564 607049022 /nfs/dbraw/zinc/04/90/22/607049022.db2.gz SIVHHBNNEPPCSZ-MRXNPFEDSA-N 1 0 396.524 2.663 20 0 GFADRO Fc1cc(-c2nn[nH]n2)ccc1CNC1CC[NH+](CCc2ccccc2)CC1 ZINC000822740171 607058231 /nfs/dbraw/zinc/05/82/31/607058231.db2.gz HVRFUHHHIANZRS-UHFFFAOYSA-N 1 0 380.471 2.803 20 0 GFADRO CN(C(=O)OC(C)(C)C)[C@H]1CCC[N@H+](Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC000821572280 607061938 /nfs/dbraw/zinc/06/19/38/607061938.db2.gz YLUHYGTUSKZGLW-HNNXBMFYSA-N 1 0 390.463 2.837 20 0 GFADRO CCOc1ccc(-c2nn[nH]n2)cc1NC(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000821406443 607065620 /nfs/dbraw/zinc/06/56/20/607065620.db2.gz FCPKAVFTMCFENM-UHFFFAOYSA-N 1 0 399.499 2.748 20 0 GFADRO COc1cccc(NC(=O)C[C@H](C)[NH2+][C@@H](C)c2cccc(-c3nn[nH]n3)c2)c1 ZINC000821872683 607087299 /nfs/dbraw/zinc/08/72/99/607087299.db2.gz NSMQQTKMOGGUJJ-KBPBESRZSA-N 1 0 380.452 2.943 20 0 GFADRO COc1ccccc1NC(=O)C[C@@H](C)[NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1 ZINC000821896788 607088583 /nfs/dbraw/zinc/08/85/83/607088583.db2.gz BIUMPELURICWEB-KGLIPLIRSA-N 1 0 380.452 2.943 20 0 GFADRO CC(C)[C@H](C(=O)Nc1ccc(Oc2ccc(-c3nn[nH]n3)cc2)nc1)[NH+](C)C ZINC000735691341 607156083 /nfs/dbraw/zinc/15/60/83/607156083.db2.gz PBPRUNNGNJLJGS-QGZVFWFLSA-N 1 0 381.440 2.579 20 0 GFADRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=S)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)C1 ZINC000821623504 607171226 /nfs/dbraw/zinc/17/12/26/607171226.db2.gz MDRSOQNPDDUPMA-XHDPSFHLSA-N 1 0 391.932 2.633 20 0 GFADRO O=C(CC[N@@H+]1CCC[C@H](Nc2ccccc2)C1)Nc1cccc(-c2nn[nH]n2)c1 ZINC000822964414 607177981 /nfs/dbraw/zinc/17/79/81/607177981.db2.gz IHGQMXLVDMMDAN-IBGZPJMESA-N 1 0 391.479 2.772 20 0 GFADRO CC1CC[NH+](C2CCC(NC(=O)NCc3ccc(-c4nn[nH]n4)cc3)CC2)CC1 ZINC000824954097 607781520 /nfs/dbraw/zinc/78/15/20/607781520.db2.gz JIRADWZUIUWQRI-UHFFFAOYSA-N 1 0 397.527 2.709 20 0 GFADRO CC[C@@H](C)[C@H]1CCCC[N@@H+]1CCS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000825061194 607816095 /nfs/dbraw/zinc/81/60/95/607816095.db2.gz WVZUJWBZSICGSL-RHSMWYFYSA-N 1 0 377.514 2.541 20 0 GFADRO CC[C@@H](C)[C@@H](C)[N@H+](CCS(=O)(=O)c1cccc(-c2nn[nH]n2)c1)C1CC1 ZINC000825059634 607827915 /nfs/dbraw/zinc/82/79/15/607827915.db2.gz HZRNPSRMNZDGDL-ZIAGYGMSSA-N 1 0 377.514 2.539 20 0 GFADRO C[C@H]([NH2+]Cc1ccccc1-c1nn[nH]n1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000824617676 607908911 /nfs/dbraw/zinc/90/89/11/607908911.db2.gz JQLBGUKCNRKYNP-GOEBONIOSA-N 1 0 386.500 2.992 20 0 GFADRO COCC[C@@H](c1ccccc1)[NH+]1CCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000826155479 607958396 /nfs/dbraw/zinc/95/83/96/607958396.db2.gz RJXFZAOHOJEKQU-IBGZPJMESA-N 1 0 378.480 2.767 20 0 GFADRO c1nc2ccccc2n1C[C@@H]1CCC[N@H+]1CCOc1ccccc1-c1nn[nH]n1 ZINC000826519759 607958919 /nfs/dbraw/zinc/95/89/19/607958919.db2.gz MUWPATVZKPSUJB-INIZCTEOSA-N 1 0 389.463 2.760 20 0 GFADRO C[NH+](C)CCNC(=O)c1ccc(Oc2ccccc2-c2nn[nH]n2)c(Cl)c1 ZINC000825870609 608047282 /nfs/dbraw/zinc/04/72/82/608047282.db2.gz UQLXTYOADUZUOJ-UHFFFAOYSA-N 1 0 386.843 2.604 20 0 GFADRO COc1ccc([C@@](C)(O)[C@@H]2CCC[N@@H+]2Cc2ccc(-c3nn[nH]n3)cc2F)cc1 ZINC000826188037 608064505 /nfs/dbraw/zinc/06/45/05/608064505.db2.gz LZXSPRCQENQHIP-PZJWPPBQSA-N 1 0 397.454 2.887 20 0 GFADRO Cc1cccc([C@H]2CC[N@@H+]([C@@H]3CCN(c4ccc(-c5nn[nH]n5)cc4)C3=O)C2)c1 ZINC000826297844 608127974 /nfs/dbraw/zinc/12/79/74/608127974.db2.gz VCEJFCOJLYHCHO-AZUAARDMSA-N 1 0 388.475 2.770 20 0 GFADRO C[C@H](C[N@H+](C)Cc1cn(C)nc1-c1ccc(-c2nn[nH]n2)cc1)c1nccs1 ZINC000824414055 608131979 /nfs/dbraw/zinc/13/19/79/608131979.db2.gz SWDVUZQKJZOODT-CYBMUJFWSA-N 1 0 394.508 2.959 20 0 GFADRO C[NH+](C)CCOc1ccccc1CNc1snc(Cl)c1-c1nn[nH]n1 ZINC000825870629 608180460 /nfs/dbraw/zinc/18/04/60/608180460.db2.gz VVOIDJRUMFBXIM-UHFFFAOYSA-N 1 0 379.877 2.529 20 0 GFADRO C[C@H]([NH2+]C1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1)c1ccc(Cl)nc1 ZINC000824553236 608200670 /nfs/dbraw/zinc/20/06/70/608200670.db2.gz AGDGCMNXCXOVGF-LBPRGKRZSA-N 1 0 384.875 2.630 20 0 GFADRO C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)c1ccccc1-c1ccccc1-c1nn[nH]n1 ZINC000824860308 608202478 /nfs/dbraw/zinc/20/24/78/608202478.db2.gz TWJDLNWBOWIOPV-LSDHHAIUSA-N 1 0 376.464 2.698 20 0 GFADRO C[C@@H]1[C@H](C)N(C(=O)c2ccccc2-c2ccccc2-c2nn[nH]n2)CC[N@H+]1C ZINC000824860298 608203117 /nfs/dbraw/zinc/20/31/17/608203117.db2.gz TWJDLNWBOWIOPV-CABCVRRESA-N 1 0 376.464 2.698 20 0 GFADRO c1cc(N2CCC([NH2+]Cc3nc4c(s3)CCC4)CC2)ccc1-c1nn[nH]n1 ZINC000826516203 608251463 /nfs/dbraw/zinc/25/14/63/608251463.db2.gz AOAPOYXVPNIHEL-UHFFFAOYSA-N 1 0 381.509 2.571 20 0 GFADRO FC(F)(F)c1ccc(O[C@@H]2CC[N@H+](Cc3ccccc3-c3nn[nH]n3)C2)nc1 ZINC000826368971 608269054 /nfs/dbraw/zinc/26/90/54/608269054.db2.gz IALYROWRWGYING-CQSZACIVSA-N 1 0 390.369 2.934 20 0 GFADRO FC(F)(F)c1ccc(O[C@H]2CC[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C2)nc1 ZINC000826369241 608269214 /nfs/dbraw/zinc/26/92/14/608269214.db2.gz TUZWTQCWDCGMOV-HNNXBMFYSA-N 1 0 390.369 2.934 20 0 GFADRO C[C@H](CC1CCOCC1)[NH2+]C1CCC(Oc2ccc(-c3nn[nH]n3)cn2)CC1 ZINC000824401690 608287609 /nfs/dbraw/zinc/28/76/09/608287609.db2.gz RVULZDZZSUQNIO-RWBZWWBESA-N 1 0 386.500 2.747 20 0 GFADRO CC[N@H+](CCc1ccccn1)Cc1c(-c2nn[nH]n2)c(C)nn1-c1ccccc1 ZINC000825428290 608316575 /nfs/dbraw/zinc/31/65/75/608316575.db2.gz IGWPPAUUNXYSFZ-UHFFFAOYSA-N 1 0 388.479 2.820 20 0 GFADRO COCC1(C)CC[NH+]([C@H](C)C(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)CC1 ZINC000826152616 608327882 /nfs/dbraw/zinc/32/78/82/608327882.db2.gz HJGYPKCORBKMBZ-GFCCVEGCSA-N 1 0 392.891 2.596 20 0 GFADRO COc1cc(-c2nn[nH]n2)ccc1C[N@H+](CCc1ccccc1)[C@H]1CCOC1 ZINC000826168071 608368576 /nfs/dbraw/zinc/36/85/76/608368576.db2.gz BAQCYLHVHHOIAI-IBGZPJMESA-N 1 0 379.464 2.709 20 0 GFADRO COc1cc(-c2nn[nH]n2)ccc1CN(CCCO)Cc1cccc(Cl)c1 ZINC000826168826 608374597 /nfs/dbraw/zinc/37/45/97/608374597.db2.gz ZOEBZIZBSZIXJE-UHFFFAOYSA-N 1 0 387.871 2.913 20 0 GFADRO Cc1cccc(NC(=O)[C@H]2CCC[N@H+](Cc3cccc(-c4nn[nH]n4)c3F)C2)n1 ZINC000826298787 608403070 /nfs/dbraw/zinc/40/30/70/608403070.db2.gz HHNXEOXTKZUGLY-HNNXBMFYSA-N 1 0 395.442 2.560 20 0 GFADRO CC(C)C[C@H](C[NH+](C)C)NC(=O)N1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000824235776 608417420 /nfs/dbraw/zinc/41/74/20/608417420.db2.gz JNCWVNRSSCUESQ-LJQANCHMSA-N 1 0 397.527 2.642 20 0 GFADRO C[C@@H]([NH2+]CCC(=O)Nc1sccc1-c1nn[nH]n1)c1c(F)cccc1F ZINC000824585788 608433493 /nfs/dbraw/zinc/43/34/93/608433493.db2.gz TXYSAGMJRMVOIS-SECBINFHSA-N 1 0 378.408 2.886 20 0 GFADRO CC[C@@H]([NH2+]CCC(=O)Nc1ccc(-c2nn[nH]n2)cc1)c1ccccc1OC ZINC000825139358 608455963 /nfs/dbraw/zinc/45/59/63/608455963.db2.gz FCXQMPFGLNAJQH-QGZVFWFLSA-N 1 0 380.452 2.945 20 0 GFADRO C[C@H](c1ccc(F)cc1)N(C)C(=O)C[NH2+][C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000824554370 608460680 /nfs/dbraw/zinc/46/06/80/608460680.db2.gz OZPREOOKLRLFAJ-UONOGXRCSA-N 1 0 382.443 2.876 20 0 GFADRO CCOc1cccc([C@@H](C)[NH2+]CCC(=O)Nc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000825649279 608471864 /nfs/dbraw/zinc/47/18/64/608471864.db2.gz NMOOMEGSTYXCDX-CQSZACIVSA-N 1 0 380.452 2.945 20 0 GFADRO COc1ccc([C@@H](C)[NH2+]CCOc2ccc(-c3nn[nH]n3)cc2OC)cc1OC ZINC000826187987 608472308 /nfs/dbraw/zinc/47/23/08/608472308.db2.gz KEJXIXVSPICXBL-CYBMUJFWSA-N 1 0 399.451 2.622 20 0 GFADRO COc1cc(-c2nn[nH]n2)ccc1C[NH2+][C@H](C)c1ccc(N2CCCC2=O)cc1 ZINC000826170359 608476404 /nfs/dbraw/zinc/47/64/04/608476404.db2.gz XSRZCNKTXXVEKM-CQSZACIVSA-N 1 0 392.463 2.853 20 0 GFADRO C[C@H]([NH2+]CC(=O)N(C)[C@@H](C)c1ccc(F)cc1)c1cccc(-c2nn[nH]n2)c1 ZINC000824553705 608481917 /nfs/dbraw/zinc/48/19/17/608481917.db2.gz FYLISYNOYFECIQ-KBPBESRZSA-N 1 0 382.443 2.876 20 0 GFADRO CC(C)Oc1ccc(NC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)cc1-c1nn[nH]n1 ZINC000824329190 608494557 /nfs/dbraw/zinc/49/45/57/608494557.db2.gz KSMRBFKUYSSIDN-OAHLLOKOSA-N 1 0 399.499 2.604 20 0 GFADRO Cc1cccc(C)c1OC[C@@H](O)C[NH2+][C@H]1CCCc2cc(-c3nn[nH]n3)ccc21 ZINC000826296789 608504102 /nfs/dbraw/zinc/50/41/02/608504102.db2.gz JDTBAAJKKZTKAL-ICSRJNTNSA-N 1 0 393.491 2.890 20 0 GFADRO c1cc2c(s1)CCN(CC[NH2+][C@@H]1CCCc3cc(-c4nn[nH]n4)ccc31)C2 ZINC000826518102 608504515 /nfs/dbraw/zinc/50/45/15/608504515.db2.gz BSQBWPNWYOITOM-GOSISDBHSA-N 1 0 380.521 2.954 20 0 GFADRO C[C@@H]([NH2+]CCOc1cccc(-c2nn[nH]n2)c1)c1ccccc1-n1cccn1 ZINC000824598572 608517710 /nfs/dbraw/zinc/51/77/10/608517710.db2.gz GRYFTIGNQSQVBR-OAHLLOKOSA-N 1 0 375.436 2.782 20 0 GFADRO COc1cc(-c2nn[nH]n2)ccc1C[NH2+][C@H](C)c1ccccc1-n1cccn1 ZINC000826169699 608518368 /nfs/dbraw/zinc/51/83/68/608518368.db2.gz BESVZVADGHMCOE-CQSZACIVSA-N 1 0 375.436 2.912 20 0 GFADRO O=C(CC1CCCCC1)NCC[NH2+][C@@H]1CCCc2cc(-c3nn[nH]n3)ccc21 ZINC000826404416 608522079 /nfs/dbraw/zinc/52/20/79/608522079.db2.gz ZZNAQGUYQVAEJY-LJQANCHMSA-N 1 0 382.512 2.920 20 0 GFADRO C[C@@H](c1ccccc1)N(C)C(=O)C[NH2+]C1(c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000824770524 608532360 /nfs/dbraw/zinc/53/23/60/608532360.db2.gz LJCLVKWBZQQARU-HNNXBMFYSA-N 1 0 376.464 2.665 20 0 GFADRO COc1cc(-c2nn[nH]n2)ccc1C[NH2+][C@H](C)c1ccc(-n2cccn2)cc1 ZINC000826170377 608551031 /nfs/dbraw/zinc/55/10/31/608551031.db2.gz YIUHWLKNQGVETC-CQSZACIVSA-N 1 0 375.436 2.912 20 0 GFADRO COCC[N@H+](Cc1c[nH]nc1-c1ccccc1)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000826159273 608567638 /nfs/dbraw/zinc/56/76/38/608567638.db2.gz ZQUHPPLDJVXPCV-UHFFFAOYSA-N 1 0 389.463 2.905 20 0 GFADRO CN1C(=O)C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)[C@H]1c1ccc(Cl)cc1 ZINC000826011134 608568962 /nfs/dbraw/zinc/56/89/62/608568962.db2.gz YOGLUHYVBLFCII-XJKSGUPXSA-N 1 0 388.884 2.643 20 0 GFADRO CC(C)C[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)Cc1cnc(N2CCCC2)nc1 ZINC000824262099 608569544 /nfs/dbraw/zinc/56/95/44/608569544.db2.gz XGPXKRDTCCFHMT-UHFFFAOYSA-N 1 0 392.511 2.915 20 0 GFADRO COc1ccsc1C[NH2+]C1CCC(Oc2ccc(-c3nn[nH]n3)cn2)CC1 ZINC000826221743 608569704 /nfs/dbraw/zinc/56/97/04/608569704.db2.gz SONSWOAOHQQHSL-UHFFFAOYSA-N 1 0 386.481 2.812 20 0 GFADRO CC(C)n1cc(C[NH2+]C2CCC(Oc3ccc(-c4nn[nH]n4)cn3)CC2)cn1 ZINC000824371869 608569845 /nfs/dbraw/zinc/56/98/45/608569845.db2.gz WSGLBQNDLOSIIH-UHFFFAOYSA-N 1 0 382.472 2.519 20 0 GFADRO CC[C@@H](C)[C@@H](C)[NH2+]CC(=O)Nc1c(-c2nn[nH]n2)c(C)c(C)n1Cc1ccco1 ZINC000825059976 608578433 /nfs/dbraw/zinc/57/84/33/608578433.db2.gz MSULXKAIOBAARX-TZMCWYRMSA-N 1 0 399.499 2.889 20 0 GFADRO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC000824108980 608578816 /nfs/dbraw/zinc/57/88/16/608578816.db2.gz LZJCIBOXBBAYNN-LSDHHAIUSA-N 1 0 376.436 2.541 20 0 GFADRO C[C@H]([NH2+]CCCOc1ccc(-c2nn[nH]n2)cc1)c1ccc([S@](C)=O)cc1 ZINC000824592382 608579027 /nfs/dbraw/zinc/57/90/27/608579027.db2.gz MRARBXBWDJMJJY-PWFNWSNSSA-N 1 0 385.493 2.724 20 0 GFADRO O=C(NC[C@@H]1CCC[N@H+](Cc2cc(-c3nn[nH]n3)cs2)C1)c1ccccc1 ZINC000826435840 608661772 /nfs/dbraw/zinc/66/17/72/608661772.db2.gz YWWMXXSMUKGNAY-AWEZNQCLSA-N 1 0 382.493 2.570 20 0 GFADRO Cc1cc(C(=O)NC2CC[NH+](Cc3cc(-c4nn[nH]n4)cs3)CC2)c(C)o1 ZINC000826259045 608675287 /nfs/dbraw/zinc/67/52/87/608675287.db2.gz FVRHHFYHIHPPGF-UHFFFAOYSA-N 1 0 386.481 2.532 20 0 GFADRO C[N@H+](CCOc1ccccc1-c1nn[nH]n1)Cc1cc(-c2ccccc2)n[nH]1 ZINC000825946210 608694579 /nfs/dbraw/zinc/69/45/79/608694579.db2.gz NTBUEEQOGQCKLG-UHFFFAOYSA-N 1 0 375.436 2.768 20 0 GFADRO CN(C[C@H]1CCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)s1)C(=O)OC(C)(C)C ZINC000825908753 608747882 /nfs/dbraw/zinc/74/78/82/608747882.db2.gz LQBVWANMPLKMBV-GFCCVEGCSA-N 1 0 378.502 2.760 20 0 GFADRO COc1cc(OC)cc(OCCC[N@H+](C)Cc2cc(-c3nn[nH]n3)cs2)c1 ZINC000826181101 608836457 /nfs/dbraw/zinc/83/64/57/608836457.db2.gz KZQGUNWLGXWVMM-UHFFFAOYSA-N 1 0 389.481 2.846 20 0 GFADRO Cc1nccn1-c1ccc(C[NH2+][C@@H](C)c2ccc(-c3nn[nH]n3)c(F)c2)cn1 ZINC000826331086 609136003 /nfs/dbraw/zinc/13/60/03/609136003.db2.gz UJFUANWZPLLMQS-LBPRGKRZSA-N 1 0 378.415 2.746 20 0 GFADRO O=C1[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CCN1c1ccc(F)c(Cl)c1 ZINC000826476793 609140590 /nfs/dbraw/zinc/14/05/90/609140590.db2.gz PKLVHZNSEFDDPD-INIZCTEOSA-N 1 0 386.818 2.554 20 0 GFADRO Cc1ccc(N2CC[C@@H]([NH2+][C@@H](C)c3ccc(-c4nn[nH]n4)c(F)c3)C2=O)cc1 ZINC000826289550 609152308 /nfs/dbraw/zinc/15/23/08/609152308.db2.gz FINOLEBYLFPCDV-SCLBCKFNSA-N 1 0 380.427 2.770 20 0 GFADRO C[C@@H]([NH2+][C@H]1CCCN(Cc2ccccc2)C1=O)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824547132 609154198 /nfs/dbraw/zinc/15/41/98/609154198.db2.gz MSXRUDGUFIGFGU-KUHUBIRLSA-N 1 0 394.454 2.848 20 0 GFADRO C[C@H](Cc1cccs1)[NH2+][C@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000824457413 609168881 /nfs/dbraw/zinc/16/88/81/609168881.db2.gz LQEWQYUFQHTSFP-DYVFJYSZSA-N 1 0 382.493 2.644 20 0 GFADRO CC[C@H]1C[C@@H](C[NH+]2CCC(C(=O)Nc3cccc(-c4nn[nH]n4)c3)CC2)CCO1 ZINC000825184044 609172519 /nfs/dbraw/zinc/17/25/19/609172519.db2.gz QNALPZNFSOYVPV-KXBFYZLASA-N 1 0 398.511 2.722 20 0 GFADRO CC[NH+](CC)[C@@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)c1ccccc1Cl ZINC000825406440 609190500 /nfs/dbraw/zinc/19/05/00/609190500.db2.gz OENMGKBSULWRGW-INIZCTEOSA-N 1 0 387.875 2.661 20 0 GFADRO C[C@H](Nc1ccc(N2CCC([NH+](C)C)CC2)cn1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824657934 609245535 /nfs/dbraw/zinc/24/55/35/609245535.db2.gz SSOFJJJYWPZJKD-HNNXBMFYSA-N 1 0 392.511 2.965 20 0 GFADRO C[C@@H]([NH2+]C1(c2cccc(-c3nn[nH]n3)c2)CC1)c1ccc(NS(C)(=O)=O)cc1 ZINC000824539377 609250266 /nfs/dbraw/zinc/25/02/66/609250266.db2.gz NENWTBFQWLNPEM-CYBMUJFWSA-N 1 0 398.492 2.578 20 0 GFADRO O=c1[nH]c2ccccc2n1CCC[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)C1CC1 ZINC000826501323 609270087 /nfs/dbraw/zinc/27/00/87/609270087.db2.gz KXZWJUHUQOWGQH-UHFFFAOYSA-N 1 0 389.463 2.977 20 0 GFADRO C[C@H](NC(=O)CCc1ccc(-c2nn[nH]n2)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000824477642 609284750 /nfs/dbraw/zinc/28/47/50/609284750.db2.gz BHCJMUSZWFDKHJ-YJBOKZPZSA-N 1 0 382.512 2.569 20 0 GFADRO C[C@@H]([NH2+]C1CCN(Cc2ccncc2)CC1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824555971 609327257 /nfs/dbraw/zinc/32/72/57/609327257.db2.gz YYXBAJLGUKVZMS-CQSZACIVSA-N 1 0 381.459 2.716 20 0 GFADRO Cn1cc(C[NH2+]CCSC(F)(F)F)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826361867 609337682 /nfs/dbraw/zinc/33/76/82/609337682.db2.gz SQECYZKNWRLEMQ-UHFFFAOYSA-N 1 0 383.403 2.610 20 0 GFADRO COc1ccccc1N1CC[C@H]([NH2+][C@H](C)c2ccc(-c3nn[nH]n3)cc2F)C1 ZINC000826220389 609340466 /nfs/dbraw/zinc/34/04/66/609340466.db2.gz MNMVLAMBTLIYHL-HIFRSBDPSA-N 1 0 382.443 2.944 20 0 GFADRO CC(C)OC(=O)N1CCC([NH2+][C@@H](C)c2ccc(-c3nn[nH]n3)cc2F)CC1 ZINC000824309166 609340517 /nfs/dbraw/zinc/34/05/17/609340517.db2.gz HNJRXBBMSHVBIB-LBPRGKRZSA-N 1 0 376.436 2.666 20 0 GFADRO CC(C)C[C@H]1C[C@@H]([NH2+]Cc2cn(C)nc2-c2ccc(-c3nn[nH]n3)cc2)CCO1 ZINC000824243484 609344168 /nfs/dbraw/zinc/34/41/68/609344168.db2.gz HHTUAEDQFCSQEV-OALUTQOASA-N 1 0 395.511 2.951 20 0 GFADRO Brc1cc(-c2nn[nH]n2)ccc1C[N@@H+]1CCC2(C1)CCOCC2 ZINC000823821751 609360831 /nfs/dbraw/zinc/36/08/31/609360831.db2.gz ZJNQMMOBEIXGGV-UHFFFAOYSA-N 1 0 378.274 2.632 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)Cc2ccc(-c3nn[nH]n3)cc2Br)[C@H](C)C1 ZINC000825452866 609367005 /nfs/dbraw/zinc/36/70/05/609367005.db2.gz RPEGFSXGQMFVCL-WBMJQRKESA-N 1 0 393.333 2.791 20 0 GFADRO OC[C@H]1CCC[N@@H+]1Cc1ccccc1CNc1cccc(F)c1-c1nn[nH]n1 ZINC000826509514 609386668 /nfs/dbraw/zinc/38/66/68/609386668.db2.gz XTQKLNFHKOBPEX-MRXNPFEDSA-N 1 0 382.443 2.575 20 0 GFADRO COc1cc(C)c(C[N@@H+]2CCCN(c3ccccc3-c3nn[nH]n3)CC2)c(C)n1 ZINC000826178270 609408486 /nfs/dbraw/zinc/40/84/86/609408486.db2.gz QNOJPBCJLKYSMN-UHFFFAOYSA-N 1 0 393.495 2.599 20 0 GFADRO COc1cccc([C@H](C)[NH2+][C@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)c1 ZINC000826214480 609412664 /nfs/dbraw/zinc/41/26/64/609412664.db2.gz MWICMSVURHBQPY-LIRRHRJNSA-N 1 0 392.463 2.722 20 0 GFADRO C[C@@H]([NH2+][C@@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O)c1ccc(F)cc1 ZINC000824548346 609412705 /nfs/dbraw/zinc/41/27/05/609412705.db2.gz WIYDICATABYDCZ-FZKQIMNGSA-N 1 0 380.427 2.852 20 0 GFADRO Cc1nc(C)c([C@@H](C)[NH2+][C@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)s1 ZINC000826324150 609413407 /nfs/dbraw/zinc/41/34/07/609413407.db2.gz GFSWIGJDTUWBTL-WBMJQRKESA-N 1 0 397.508 2.786 20 0 GFADRO C[C@@H](C[NH2+][C@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O)c1ccc(F)cc1 ZINC000824427472 609414501 /nfs/dbraw/zinc/41/45/01/609414501.db2.gz NOQXJWPOKRYQJO-LIRRHRJNSA-N 1 0 394.454 2.895 20 0 GFADRO Cc1ccc2c(c1)CC[C@H]2[NH2+][C@@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000826294175 609414908 /nfs/dbraw/zinc/41/49/08/609414908.db2.gz LBAGAMYXOJRGJR-WOJBJXKFSA-N 1 0 388.475 2.948 20 0 GFADRO COc1ccc([C@H](C)[NH2+][C@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)cc1 ZINC000826187994 609415159 /nfs/dbraw/zinc/41/51/59/609415159.db2.gz KISVMMGASIFTJU-LIRRHRJNSA-N 1 0 392.463 2.722 20 0 GFADRO OC[C@H]([NH2+]Cc1ccc(F)cc1-c1nn[nH]n1)c1ccc(Br)cc1 ZINC000826508323 609427753 /nfs/dbraw/zinc/42/77/53/609427753.db2.gz MKPVWPYHRDVSHD-HNNXBMFYSA-N 1 0 392.232 2.592 20 0 GFADRO C[C@H]1C[C@H](C(=O)N(CC[NH+](C)C)Cc2cccc(-c3nn[nH]n3)c2)C[C@@H](C)C1 ZINC000824875241 609576457 /nfs/dbraw/zinc/57/64/57/609576457.db2.gz JVZYBRCNWRIDOB-MNZLEMJZSA-N 1 0 384.528 2.829 20 0 GFADRO Brc1ccc2nc(C[NH2+][C@H]3CCc4nnnn4CC3)sc2c1 ZINC000817418998 660194719 /nfs/dbraw/zinc/19/47/19/660194719.db2.gz NTZCRRDIUOWAFB-JTQLQIEISA-N 1 0 379.287 2.540 20 0 GFADRO Brc1csc([C@@H]([NH2+]C[C@H]2COC3(CCOCC3)O2)C2CC2)n1 ZINC000817580561 660201495 /nfs/dbraw/zinc/20/14/95/660201495.db2.gz LHQCDQZTHZBNEP-AAEUAGOBSA-N 1 0 389.315 2.868 20 0 GFADRO Cc1csc([C@](O)(CC(=O)NC2CCC([NH+](C)C)CC2)C(F)(F)F)n1 ZINC000817659460 660204918 /nfs/dbraw/zinc/20/49/18/660204918.db2.gz UCLVCRJXLKECFK-KOHJWAIASA-N 1 0 379.448 2.581 20 0 GFADRO Cn1c(C(=O)N2CCCO[C@H](C[NH3+])C2)ccc1-c1ccccc1Br ZINC000818011976 660213350 /nfs/dbraw/zinc/21/33/50/660213350.db2.gz GOHBDYQLITYZES-CYBMUJFWSA-N 1 0 392.297 2.644 20 0 GFADRO [NH3+][C@@H]1CCO[C@H](C2CCN(C(=O)[C@H](O)c3cc(Cl)cc(Cl)c3)CC2)C1 ZINC000818014100 660213699 /nfs/dbraw/zinc/21/36/99/660213699.db2.gz AKHMDEVTBSLWOO-IXDOHACOSA-N 1 0 387.307 2.772 20 0 GFADRO CCOc1c(Br)cc(C(=O)N2CC[C@]3(CCC[NH2+]3)C2)cc1OC ZINC000818017375 660213957 /nfs/dbraw/zinc/21/39/57/660213957.db2.gz DNWFXSUGZDXFFC-QGZVFWFLSA-N 1 0 383.286 2.825 20 0 GFADRO CN(C[C@@H](O)C[NH2+]Cc1ccc(Br)s1)C(=O)OC(C)(C)C ZINC000818165406 660218080 /nfs/dbraw/zinc/21/80/80/660218080.db2.gz GNWIZSPCYJLXMH-JTQLQIEISA-N 1 0 379.320 2.828 20 0 GFADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CSCC[C@H]2CC2(Cl)Cl)C1 ZINC000818156160 660218129 /nfs/dbraw/zinc/21/81/29/660218129.db2.gz FPBHGZCLJPQVQQ-KBPBESRZSA-N 1 0 383.385 2.777 20 0 GFADRO CN(C(=O)c1c(F)cccc1I)C1CCC([NH3+])CC1 ZINC000818529571 660228146 /nfs/dbraw/zinc/22/81/46/660228146.db2.gz PSRAFESNKPWYPO-UHFFFAOYSA-N 1 0 376.213 2.772 20 0 GFADRO [NH3+]C[C@H](NC(=O)c1cn(-c2ccccc2Br)nn1)C1CCCCC1 ZINC000818555945 660228590 /nfs/dbraw/zinc/22/85/90/660228590.db2.gz CIYWMGYSUATNDP-AWEZNQCLSA-N 1 0 392.301 2.667 20 0 GFADRO Brc1cccc(Cc2noc(-c3cn([C@@H]4CCC[NH2+]C4)nn3)n2)c1 ZINC000818381047 660224623 /nfs/dbraw/zinc/22/46/23/660224623.db2.gz MJIYXHRFOSTAPI-CYBMUJFWSA-N 1 0 389.257 2.606 20 0 GFADRO O=S(=O)(NCC[NH2+]C[C@H](O)c1ccccc1Cl)c1cccc(Cl)c1 ZINC000818951729 660237574 /nfs/dbraw/zinc/23/75/74/660237574.db2.gz OFNHJOSFQZYUQW-INIZCTEOSA-N 1 0 389.304 2.595 20 0 GFADRO COc1c(C)cnc(C[NH2+]C[C@H](O)COc2ccc(Br)cc2)c1C ZINC000818986830 660241660 /nfs/dbraw/zinc/24/16/60/660241660.db2.gz BBRHCTKPOBTGER-HNNXBMFYSA-N 1 0 395.297 2.999 20 0 GFADRO O[C@@H](C[NH2+]C[C@H]1CSCCS1)COc1cc(F)cc(Br)c1 ZINC000819141177 660247780 /nfs/dbraw/zinc/24/77/80/660247780.db2.gz GQQGHQZZHSLJTP-JSGCOSHPSA-N 1 0 396.347 2.766 20 0 GFADRO O[C@H](C[NH2+][C@H]1CCN(c2ncccc2F)C1)c1ccccc1Br ZINC000819150309 660247980 /nfs/dbraw/zinc/24/79/80/660247980.db2.gz QYFRPBNRBIQBSJ-BLLLJJGKSA-N 1 0 380.261 2.885 20 0 GFADRO O=C(C1CCCC1)N1CC[C@@H]([NH2+]C[C@H](O)c2cccc(Br)c2)C1 ZINC000819163919 660248488 /nfs/dbraw/zinc/24/84/88/660248488.db2.gz ODQKFFYQXCURRF-SJORKVTESA-N 1 0 381.314 2.863 20 0 GFADRO CO[C@H](C[NH2+]C[C@H](O)c1ccc(S(C)(=O)=O)cc1)c1ccccc1Cl ZINC000819169266 660248492 /nfs/dbraw/zinc/24/84/92/660248492.db2.gz YYEQCVBKLDQZMJ-ZWKOTPCHSA-N 1 0 383.897 2.754 20 0 GFADRO O=S(=O)(CC[NH2+]C[C@@H](O)c1ccc(Cl)c(F)c1)c1ccc(F)cc1 ZINC000819174534 660248740 /nfs/dbraw/zinc/24/87/40/660248740.db2.gz VIHWAVRFCAUHRP-MRXNPFEDSA-N 1 0 375.824 2.715 20 0 GFADRO O[C@H](C[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1ccccc1Br ZINC000819175489 660248860 /nfs/dbraw/zinc/24/88/60/660248860.db2.gz YNKIBJGLAHCTSQ-GUDVDZBRSA-N 1 0 397.357 2.840 20 0 GFADRO O=C1[C@@H]([NH2+]C[C@H](O)c2ccc(Br)cc2)CCCN1CC(F)(F)F ZINC000819181753 660249023 /nfs/dbraw/zinc/24/90/23/660249023.db2.gz APEMVANQSDSSAD-STQMWFEESA-N 1 0 395.219 2.625 20 0 GFADRO O=C1[C@H]([NH2+]C[C@@H](O)c2ccccc2Br)CCCN1CC(F)(F)F ZINC000819182294 660249406 /nfs/dbraw/zinc/24/94/06/660249406.db2.gz LNPJOWFPEXHGLD-CHWSQXEVSA-N 1 0 395.219 2.625 20 0 GFADRO CC(C)(C)OC(=O)N1CCC([C@H](O)C[NH2+]CCSCC(F)(F)F)CC1 ZINC000819200999 660250040 /nfs/dbraw/zinc/25/00/40/660250040.db2.gz ZBLSQJYLJSHNFK-CYBMUJFWSA-N 1 0 386.480 2.880 20 0 GFADRO Cn1ccnc1[C@@H]1C[C@@H]([NH2+]C[C@H](O)c2ccccc2Br)CCO1 ZINC000819360727 660256766 /nfs/dbraw/zinc/25/67/66/660256766.db2.gz KLSGWHUGTIDOSF-RCBQFDQVSA-N 1 0 380.286 2.726 20 0 GFADRO C[S@@](=O)C1(C[NH2+]C[C@](C)(O)c2ccc(Br)cc2F)CCC1 ZINC000819285549 660253557 /nfs/dbraw/zinc/25/35/57/660253557.db2.gz ILWZINFCIRGHTP-LHSJRXKWSA-N 1 0 378.307 2.687 20 0 GFADRO C[S@](=O)C1(C[NH2+]C[C@@](C)(O)c2ccc(Br)cc2F)CCC1 ZINC000819285552 660253600 /nfs/dbraw/zinc/25/36/00/660253600.db2.gz ILWZINFCIRGHTP-SZNDQCEHSA-N 1 0 378.307 2.687 20 0 GFADRO Cn1ccnc1[C@@H]1C[C@H]([NH2+]C[C@@H](O)c2ccccc2Br)CCO1 ZINC000819360736 660256901 /nfs/dbraw/zinc/25/69/01/660256901.db2.gz KLSGWHUGTIDOSF-WQVCFCJDSA-N 1 0 380.286 2.726 20 0 GFADRO CCS(=O)(=O)CCC[NH2+]C[C@](C)(O)c1ccc(Br)cc1Cl ZINC000819367005 660256989 /nfs/dbraw/zinc/25/69/89/660256989.db2.gz CVGRQYBJANTLNT-AWEZNQCLSA-N 1 0 398.750 2.724 20 0 GFADRO CC(C)(C)OC(=O)CS(=O)(=O)CC[NH2+]Cc1ccc(C(C)(F)F)cc1 ZINC000819330817 660255092 /nfs/dbraw/zinc/25/50/92/660255092.db2.gz FGVCLVQGWVOOJV-UHFFFAOYSA-N 1 0 377.453 2.644 20 0 GFADRO O=c1ccc(Br)cn1CC[NH2+]C[C@@H](O)c1ccc(F)cc1Cl ZINC000819339005 660255776 /nfs/dbraw/zinc/25/57/76/660255776.db2.gz JELLKEUIHAVVMP-CQSZACIVSA-N 1 0 389.652 2.727 20 0 GFADRO CCOC(=O)N1CC[C@H]([NH2+]C[C@H](O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000819239891 660251409 /nfs/dbraw/zinc/25/14/09/660251409.db2.gz WUJUXYNRNMZOKE-RYUDHWBXSA-N 1 0 377.268 2.554 20 0 GFADRO O=S1(=O)CCCN1c1cccc(C[NH2+]C[C@H](O)c2cccc(Cl)c2)c1 ZINC000819235868 660251488 /nfs/dbraw/zinc/25/14/88/660251488.db2.gz YKARVRARGOWJTE-SFHVURJKSA-N 1 0 380.897 2.703 20 0 GFADRO CON1CCC([NH2+]C[C@@](C)(O)c2ccc(Br)cc2Cl)CC1 ZINC000819373914 660257349 /nfs/dbraw/zinc/25/73/49/660257349.db2.gz LWAFQFOFHOVYGG-OAHLLOKOSA-N 1 0 377.710 2.925 20 0 GFADRO C[C@H](C(=O)N1CC[C@]2(CC[N@H+](C)C2)C1)c1ccc(I)cc1 ZINC000820341021 660289780 /nfs/dbraw/zinc/28/97/80/660289780.db2.gz ALJJZFBHIQKKAG-GUYCJALGSA-N 1 0 398.288 2.949 20 0 GFADRO CCS[C@@H]1CC[C@@H]([N@H+](C)CCC(=O)Nc2sccc2-c2nn[nH]n2)C1 ZINC000821449273 660326373 /nfs/dbraw/zinc/32/63/73/660326373.db2.gz RKTHOWFBNMUVCF-VXGBXAGGSA-N 1 0 380.543 2.863 20 0 GFADRO CCS[C@H]1CC[C@@H]([N@H+](C)CCC(=O)Nc2sccc2-c2nn[nH]n2)C1 ZINC000821449262 660326394 /nfs/dbraw/zinc/32/63/94/660326394.db2.gz RKTHOWFBNMUVCF-NEPJUHHUSA-N 1 0 380.543 2.863 20 0 GFADRO C[NH+]1CCC(OCC(=O)N2CC[C@H](c3cccc(Br)c3)C2)CC1 ZINC000821467470 660327027 /nfs/dbraw/zinc/32/70/27/660327027.db2.gz LMCBXDMUZKSDKM-HNNXBMFYSA-N 1 0 381.314 2.876 20 0 GFADRO C[C@@H](CNC(=O)c1csc(I)n1)[N@@H+]1CCCC[C@H]1C ZINC000821986694 660337628 /nfs/dbraw/zinc/33/76/28/660337628.db2.gz WDZLQPIFBYZNBE-ZJUUUORDSA-N 1 0 393.294 2.740 20 0 GFADRO Cc1cc(Br)ncc1NC(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000821817543 660334643 /nfs/dbraw/zinc/33/46/43/660334643.db2.gz OMXZUDQSDXUYPE-CYBMUJFWSA-N 1 0 383.290 2.527 20 0 GFADRO C[C@@H](CNC(=O)c1ccc(C(F)(F)Br)nc1)C[NH+]1CCCC1 ZINC000822693062 660351978 /nfs/dbraw/zinc/35/19/78/660351978.db2.gz OVZXIULJTGLYKQ-NSHDSACASA-N 1 0 376.245 2.988 20 0 GFADRO CN(C)c1nc(Cl)c(C(=O)NCc2ccccc2OCC[NH+](C)C)s1 ZINC000822863576 660356143 /nfs/dbraw/zinc/35/61/43/660356143.db2.gz QOJSYYCAWVIKCQ-UHFFFAOYSA-N 1 0 382.917 2.733 20 0 GFADRO CCn1ncc(C(=O)N[C@H](C[NH+](C)C)c2ccc(F)cc2)c1Br ZINC000822939017 660358505 /nfs/dbraw/zinc/35/85/05/660358505.db2.gz DAUNNPGQVWJNKL-CQSZACIVSA-N 1 0 383.265 2.837 20 0 GFADRO CC(C)(C)OC(=O)N1CCC([C@H](O)C[N@@H+]2CCC=C(Br)C2)CC1 ZINC000823021242 660359993 /nfs/dbraw/zinc/35/99/93/660359993.db2.gz UDMVAOZZZWWXHV-OAHLLOKOSA-N 1 0 389.334 2.979 20 0 GFADRO Cc1sc2nc(C)nc(SCc3nc(N4CC[NH2+]CC4)no3)c2c1C ZINC000823310185 660368097 /nfs/dbraw/zinc/36/80/97/660368097.db2.gz UUOSZLOLPVDDFF-UHFFFAOYSA-N 1 0 376.511 2.701 20 0 GFADRO [NH3+]CC1(Cc2nc(COc3ccc(I)cc3)no2)CC1 ZINC000823168466 660363801 /nfs/dbraw/zinc/36/38/01/660363801.db2.gz VAOQYXLGCOCMTA-UHFFFAOYSA-N 1 0 385.205 2.535 20 0 GFADRO CC[NH+](CC)[C@H](CNC(=O)c1cc(Br)n(C)n1)c1ccccc1 ZINC000823614477 660376578 /nfs/dbraw/zinc/37/65/78/660376578.db2.gz RCJMHBMTVLCNCL-OAHLLOKOSA-N 1 0 379.302 2.996 20 0 GFADRO O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)c1c(Br)nc2n1CCC2 ZINC000823501061 660373894 /nfs/dbraw/zinc/37/38/94/660373894.db2.gz ISFMRIFFOYNTLL-AWEZNQCLSA-N 1 0 389.297 2.596 20 0 GFADRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1csc(I)n1 ZINC000823332018 660368649 /nfs/dbraw/zinc/36/86/49/660368649.db2.gz HASQVHKJRKMROJ-VHSXEESVSA-N 1 0 393.294 2.598 20 0 GFADRO O=C(C[NH+]1CCCC1)NC1CCN(Cc2cccc(Br)c2)CC1 ZINC000823669789 660377783 /nfs/dbraw/zinc/37/77/83/660377783.db2.gz PBHJRZMQFBPKCR-UHFFFAOYSA-N 1 0 380.330 2.626 20 0 GFADRO CC(C)[C@@H](CNC(=O)OC(C)(C)C)C[N@@H+]1CCCC[C@@H](S(C)(=O)=O)C1 ZINC000824297117 660389325 /nfs/dbraw/zinc/38/93/25/660389325.db2.gz PWFRTBJACPBYEO-JKSUJKDBSA-N 1 0 376.563 2.682 20 0 GFADRO C[C@H](CCCNC(=O)OC(C)(C)C)[NH2+]Cc1cc(Br)nn1C ZINC000824500887 660394598 /nfs/dbraw/zinc/39/45/98/660394598.db2.gz ADFOMLCLZAFKLL-LLVKDONJSA-N 1 0 375.311 2.966 20 0 GFADRO CCOCOc1ccc(C[NH2+]CCn2cc(Br)ccc2=O)cc1 ZINC000824542818 660396392 /nfs/dbraw/zinc/39/63/92/660396392.db2.gz BXTYIMSDHZCWBY-UHFFFAOYSA-N 1 0 381.270 2.773 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)C[C@H]2C(=O)Nc3c2cccc3Br)C1 ZINC000824774479 660401570 /nfs/dbraw/zinc/40/15/70/660401570.db2.gz XELLKWXPKYRALC-WCQYABFASA-N 1 0 394.313 2.864 20 0 GFADRO C[NH+](C)CCn1ccc(NC(=O)c2ccc(C(F)(F)Br)nc2)n1 ZINC000824779964 660401848 /nfs/dbraw/zinc/40/18/48/660401848.db2.gz ZEDPOXFOPHDWOJ-UHFFFAOYSA-N 1 0 388.216 2.536 20 0 GFADRO C[C@@H]([NH2+]CCS(=O)(=O)C1CCOCC1)[C@@H](C)c1nc2ccccc2s1 ZINC000824903412 660404724 /nfs/dbraw/zinc/40/47/24/660404724.db2.gz GFRVFAGBZQWCGE-ZIAGYGMSSA-N 1 0 382.551 2.972 20 0 GFADRO O=S(=O)(CC[NH2+]Cc1cnc(-c2ccccc2F)s1)C1CCOCC1 ZINC000824903481 660404726 /nfs/dbraw/zinc/40/47/26/660404726.db2.gz HQVRCVAWAKZDDD-UHFFFAOYSA-N 1 0 384.498 2.633 20 0 GFADRO COc1ccc(C[NH+](C)C)cc1NC(=O)c1c(Br)nc2n1CCC2 ZINC000824926785 660405483 /nfs/dbraw/zinc/40/54/83/660405483.db2.gz UFVPRNKNGQEGLV-UHFFFAOYSA-N 1 0 393.285 2.914 20 0 GFADRO Cn1c(Cl)nc(Cl)c1C[NH2+]C[C@@H]1CN(C(=O)OC(C)(C)C)CCCO1 ZINC000825164027 660412775 /nfs/dbraw/zinc/41/27/75/660412775.db2.gz YQXHLEHWQRQLOP-LLVKDONJSA-N 1 0 393.315 2.843 20 0 GFADRO Cc1nn(C)c(C[N@@H+]2CCC[C@@H]3CC4(CC[C@@H]32)OCCO4)c1Br ZINC000825035144 660408230 /nfs/dbraw/zinc/40/82/30/660408230.db2.gz FMDFDHNXGKGJNA-KGLIPLIRSA-N 1 0 384.318 2.999 20 0 GFADRO CCC[N@H+](C)C[C@@H]1CCN(c2ccc(Br)cc2-c2nn[nH]n2)C1 ZINC000825300568 660419272 /nfs/dbraw/zinc/41/92/72/660419272.db2.gz BBFZJXOKAMQHFB-LBPRGKRZSA-N 1 0 379.306 2.797 20 0 GFADRO C[NH+](C)CC1(C(=O)Nc2ccc(N3CC[C@@H](CO)C3)c(Br)c2)CC1 ZINC000825298415 660419311 /nfs/dbraw/zinc/41/93/11/660419311.db2.gz QBMCUCQCBGCLMM-CYBMUJFWSA-N 1 0 396.329 2.548 20 0 GFADRO Cn1ncc(Br)c1C[NH2+]C[C@@H](O)c1ccccc1Br ZINC000825342294 660421567 /nfs/dbraw/zinc/42/15/67/660421567.db2.gz BQLGKBVBOBKJFP-CYBMUJFWSA-N 1 0 389.091 2.768 20 0 GFADRO O=C(NC1CC[NH+](CC2CCCC2)CC1)c1c(Br)nc2n1CCC2 ZINC000825481816 660429601 /nfs/dbraw/zinc/42/96/01/660429601.db2.gz VLGVVUQDEYHKIP-UHFFFAOYSA-N 1 0 395.345 2.976 20 0 GFADRO COCCC[NH+]1CCC(NC(=O)c2c(Cl)nc3cc(Cl)ccn32)CC1 ZINC000825529780 660432091 /nfs/dbraw/zinc/43/20/91/660432091.db2.gz GRRBAVGUFDCHJH-UHFFFAOYSA-N 1 0 385.295 2.872 20 0 GFADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)Nc1ccc(F)c(Br)c1F ZINC000825667109 660437272 /nfs/dbraw/zinc/43/72/72/660437272.db2.gz TXCWOTKVZFZDCE-ZJUUUORDSA-N 1 0 390.228 2.712 20 0 GFADRO O=C(c1c(Br)nc2n1CCC2)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000825764820 660440848 /nfs/dbraw/zinc/44/08/48/660440848.db2.gz OODUYPQCDKYHCE-ZDUSSCGKSA-N 1 0 381.318 2.682 20 0 GFADRO CC(C)CN(C(=O)c1c(Br)nc2n1CCC2)C1CC[NH+](C)CC1 ZINC000825891536 660445145 /nfs/dbraw/zinc/44/51/45/660445145.db2.gz KNMIGGFUDSSFIC-UHFFFAOYSA-N 1 0 383.334 2.784 20 0 GFADRO O=C(NC[C@H]1CCC[N@H+](CC2CC2)C1)c1cnn2cccc(Br)c12 ZINC000826751567 660463316 /nfs/dbraw/zinc/46/33/16/660463316.db2.gz RIXQLAASGJULSH-CQSZACIVSA-N 1 0 391.313 2.949 20 0 GFADRO C[NH+](C)CCCOC1CCN(C(=O)[C@H](O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000826860409 660468931 /nfs/dbraw/zinc/46/89/31/660468931.db2.gz FCDDXZCSZJBMDB-QGZVFWFLSA-N 1 0 389.323 2.986 20 0 GFADRO C[C@@H](C(=O)N1CC[C@H]([NH+]2CCC2)C1)c1ccc(I)cc1 ZINC000826950347 660472785 /nfs/dbraw/zinc/47/27/85/660472785.db2.gz PIJVFTMDHVGLOB-DOMZBBRYSA-N 1 0 384.261 2.701 20 0 GFADRO COCC[N@H+]1[C@H](C)CN(C(=O)NCc2ccsc2Br)C[C@@H]1C ZINC000827049901 660476895 /nfs/dbraw/zinc/47/68/95/660476895.db2.gz VGCBBJQCSOJQJS-TXEJJXNPSA-N 1 0 390.347 2.761 20 0 GFADRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)c2cc(Br)n(C)n2)CC1 ZINC000827203658 660483995 /nfs/dbraw/zinc/48/39/95/660483995.db2.gz WSTWTQGSEPFIDX-LBPRGKRZSA-N 1 0 392.301 2.533 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3[C@@H]4Cc5c(cccc5Br)[C@@H]43)CC[C@H]21 ZINC000827221333 660485051 /nfs/dbraw/zinc/48/50/51/660485051.db2.gz WYLMPILEVDGUFN-DVTPXTSXSA-N 1 0 375.310 2.887 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3cnn(-c4ccc(Br)cc4)c3)CC[C@@H]21 ZINC000827340021 660490001 /nfs/dbraw/zinc/49/00/01/660490001.db2.gz XCKZQHLMBGVEEE-DYVFJYSZSA-N 1 0 389.297 2.801 20 0 GFADRO Cn1nc2cc(Br)ccc2c1C(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000827233989 660485704 /nfs/dbraw/zinc/48/57/04/660485704.db2.gz VHBXJZCINUKXDU-NHYWBVRUSA-N 1 0 377.286 2.502 20 0 GFADRO C[NH+]1CCC(OCC(=O)N2CC(Cc3ccccc3Br)C2)CC1 ZINC000827647096 660506939 /nfs/dbraw/zinc/50/69/39/660506939.db2.gz YRPSSIUKJTXENP-UHFFFAOYSA-N 1 0 381.314 2.561 20 0 GFADRO CCOC(=O)c1nc(NC[C@]2([NH+](C)C)CCSC2)ccc1Br ZINC000603303867 651478945 /nfs/dbraw/zinc/47/89/45/651478945.db2.gz JKKSYEKNQNEVSY-OAHLLOKOSA-N 1 0 388.331 2.870 20 0 GFADRO CCOC(=O)c1nc(NC2CC[NH+]([C@H]3CCOC3)CC2)ccc1Br ZINC000603316680 651480336 /nfs/dbraw/zinc/48/03/36/651480336.db2.gz GLZRURUXVIOYCW-ZDUSSCGKSA-N 1 0 398.301 2.686 20 0 GFADRO C[NH+](C)C1(C)CCN(C(=O)C[C@@H]2C(=O)Nc3ccc(Br)cc32)CC1 ZINC000827779111 660514596 /nfs/dbraw/zinc/51/45/96/660514596.db2.gz OIVYEOOIVWFVSW-AWEZNQCLSA-N 1 0 394.313 2.818 20 0 GFADRO C[N@@H+]1CCN(C(=O)C[C@@H]2C(=O)Nc3ccc(Br)cc32)CCC1(C)C ZINC000828300596 660543100 /nfs/dbraw/zinc/54/31/00/660543100.db2.gz YXPRCGCPROKXSP-AWEZNQCLSA-N 1 0 394.313 2.818 20 0 GFADRO OCCC[N@@H+]1CCC[C@@H]1CNc1cc(Br)cnc1Br ZINC000828420012 660547417 /nfs/dbraw/zinc/54/74/17/660547417.db2.gz AAPBOFUSBMSKEI-LLVKDONJSA-N 1 0 393.123 2.865 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2csc(I)n2)C[C@H]1C ZINC000828491148 660550603 /nfs/dbraw/zinc/55/06/03/660550603.db2.gz VDWLYKOPJUAAOB-ZJUUUORDSA-N 1 0 393.294 2.693 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2csc(I)n2)[C@H](C)C1 ZINC000828596448 660558886 /nfs/dbraw/zinc/55/88/86/660558886.db2.gz VOZCSZNITFRXEQ-KOLCDFICSA-N 1 0 393.294 2.550 20 0 GFADRO O=C(Nc1ccc2c(c1)SCC(=O)N2)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000829018230 660578822 /nfs/dbraw/zinc/57/88/22/660578822.db2.gz UYLAMUNJDCADPC-AWEZNQCLSA-N 1 0 377.535 2.887 20 0 GFADRO C[C@@](O)(C(=O)N1CCC(C)([NH+]2CCC2)CC1)c1ccc(F)c(Br)c1 ZINC000829454986 660593195 /nfs/dbraw/zinc/59/31/95/660593195.db2.gz FDYPMVKQCUPJFU-SFHVURJKSA-N 1 0 399.304 2.883 20 0 GFADRO C[C@](CO)([NH2+]C[C@@H](O)c1ccc(F)c(Br)c1)c1cccc(O)c1 ZINC000829921140 660622337 /nfs/dbraw/zinc/62/23/37/660622337.db2.gz GZTUXDKIDMDULX-IAGOWNOFSA-N 1 0 384.245 2.825 20 0 GFADRO CCO[C@@H]1COCC[C@@H]1[NH2+]Cc1cccc(F)c1I ZINC000873105501 662799958 /nfs/dbraw/zinc/79/99/58/662799958.db2.gz XNSCUIPBAHFSFH-QWHCGFSZSA-N 1 0 379.213 2.714 20 0 GFADRO C[C@@H](CNS(=O)(=O)c1cnc(Cl)c(Br)c1)C[NH+]1CCCC1 ZINC000830082444 660633219 /nfs/dbraw/zinc/63/32/19/660633219.db2.gz DUYZURBSYLKAJV-JTQLQIEISA-N 1 0 396.738 2.508 20 0 GFADRO Cc1cc(C(=O)N[C@H](CC[NH+](C)C)c2cccnc2)cnc1Br ZINC000830208627 660642354 /nfs/dbraw/zinc/64/23/54/660642354.db2.gz CCEBBGZHKWWCTA-OAHLLOKOSA-N 1 0 377.286 2.970 20 0 GFADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3cnn(C(C)(C)C)c3Br)CC[C@H]21 ZINC000830400846 660652638 /nfs/dbraw/zinc/65/26/38/660652638.db2.gz CRMBPDWHTFALFN-TZMCWYRMSA-N 1 0 383.334 2.957 20 0 GFADRO CC(C)(CNC(=O)C[C@H]1C[NH2+]CCO1)Sc1ccc(Br)cc1 ZINC000830617999 660667509 /nfs/dbraw/zinc/66/75/09/660667509.db2.gz XZXMWTOGLLLVMG-ZDUSSCGKSA-N 1 0 387.343 2.815 20 0 GFADRO O=C(CC[C@@H]1CC1(Cl)Cl)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000831349867 660708736 /nfs/dbraw/zinc/70/87/36/660708736.db2.gz GAVMNMTXJQCTBB-ZACQAIPSSA-N 1 0 385.335 2.960 20 0 GFADRO [NH3+][C@H](CC(=O)NC1CCN(Cc2ccc(Br)cc2)CC1)C1CC1 ZINC000831351078 660708762 /nfs/dbraw/zinc/70/87/62/660708762.db2.gz COFVPCHHGUWFIL-QGZVFWFLSA-N 1 0 380.330 2.657 20 0 GFADRO O=S(=O)(NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1)c1c[nH]nc1Cl ZINC000831597875 660714270 /nfs/dbraw/zinc/71/42/70/660714270.db2.gz QZLHCPVYVCLAJK-OAHLLOKOSA-N 1 0 382.917 2.644 20 0 GFADRO CCO[C@H](CNC(=O)Cc1c[nH]c2cc(Br)ccc12)C[NH+](C)C ZINC000831737171 660723585 /nfs/dbraw/zinc/72/35/85/660723585.db2.gz DSVURHONXKHKTM-CQSZACIVSA-N 1 0 382.302 2.556 20 0 GFADRO C[NH+]1CCC(C)(CNC(=O)[C@]2(C)CC2(Br)Br)CC1 ZINC000831876544 660733010 /nfs/dbraw/zinc/73/30/10/660733010.db2.gz CDTPJIWKIUXTCR-LBPRGKRZSA-N 1 0 382.140 2.731 20 0 GFADRO O=C(N[C@@H](Cc1ccccn1)c1ccc(Br)cc1)[C@]1(F)CC[NH2+]C1 ZINC000831880846 660733658 /nfs/dbraw/zinc/73/36/58/660733658.db2.gz KLIWIQKJNPPSHO-WMZOPIPTSA-N 1 0 392.272 2.946 20 0 GFADRO [NH3+][C@@H](CC(=O)NCc1ccc(I)c(Cl)c1)C1CC1 ZINC000832008364 660744481 /nfs/dbraw/zinc/74/44/81/660744481.db2.gz CEBGYBIKEVJWCJ-LBPRGKRZSA-N 1 0 378.641 2.688 20 0 GFADRO CN1CC[NH+](CC2(C)CCN(C(=O)CC[C@H]3CC3(Cl)Cl)CC2)CC1 ZINC000832136582 660757258 /nfs/dbraw/zinc/75/72/58/660757258.db2.gz AGZKTCGGEKGHOJ-HNNXBMFYSA-N 1 0 376.372 2.837 20 0 GFADRO O=C(Nc1cn2cc(Br)ncc2n1)C1C[NH+](C2CCCCC2)C1 ZINC000832335789 660773418 /nfs/dbraw/zinc/77/34/18/660773418.db2.gz GYQKBDXIIAZASR-UHFFFAOYSA-N 1 0 378.274 2.695 20 0 GFADRO C[NH+](C)CC1(C(=O)Nc2cn3cc(Br)ncc3n2)CCCCC1 ZINC000832341288 660773765 /nfs/dbraw/zinc/77/37/65/660773765.db2.gz IKDJQISTPPVSCM-UHFFFAOYSA-N 1 0 380.290 2.942 20 0 GFADRO COC(=O)c1cc(S(=O)(=O)NC(C)(C)CCC[NH+](C)C)c(F)cc1Cl ZINC000832297714 660771813 /nfs/dbraw/zinc/77/18/13/660771813.db2.gz GMGORQVCZMVXLJ-UHFFFAOYSA-N 1 0 394.896 2.664 20 0 GFADRO COCCS(=O)(=O)CCC[NH+]1CCC(Cc2cc(F)cc(F)c2)CC1 ZINC000832354087 660774942 /nfs/dbraw/zinc/77/49/42/660774942.db2.gz AVEXVGSBQOAENM-UHFFFAOYSA-N 1 0 375.481 2.671 20 0 GFADRO CC(C)[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2cnc(Cl)c(Br)c2)C1 ZINC000832764008 660798977 /nfs/dbraw/zinc/79/89/77/660798977.db2.gz GDOMIHDDSJRSIP-JTQLQIEISA-N 1 0 396.738 2.601 20 0 GFADRO C[C@](O)(C[NH2+]CCCN1CCCC1=O)c1ccc(Br)cc1Cl ZINC000834352977 660815643 /nfs/dbraw/zinc/81/56/43/660815643.db2.gz AJOKFGJWVATKHA-INIZCTEOSA-N 1 0 389.721 2.912 20 0 GFADRO COCCOCCC[NH2+]C[C@@](C)(O)c1ccc(Br)cc1Cl ZINC000834357006 660815856 /nfs/dbraw/zinc/81/58/56/660815856.db2.gz CXUQJPNVKVRVGS-OAHLLOKOSA-N 1 0 380.710 2.953 20 0 GFADRO O=C(c1ccc(-n2cc(Br)cn2)cc1)N1CCC2(C1)CC[NH2+]CC2 ZINC000834437910 660820040 /nfs/dbraw/zinc/82/00/40/660820040.db2.gz WAWYPGUOEZKKKW-UHFFFAOYSA-N 1 0 389.297 2.851 20 0 GFADRO CC1(C)CCC[N@H+](CCNC(=O)c2csc(I)n2)C1 ZINC000834555657 660824487 /nfs/dbraw/zinc/82/44/87/660824487.db2.gz DQILLXWGMOXRAR-UHFFFAOYSA-N 1 0 393.294 2.600 20 0 GFADRO CC(C)(C[NH+]1CCOCC1)C(=O)NCc1cc(C(F)(F)F)cc(Cl)n1 ZINC000834601306 660826139 /nfs/dbraw/zinc/82/61/39/660826139.db2.gz FZXMOVJWYZRYJB-UHFFFAOYSA-N 1 0 379.810 2.728 20 0 GFADRO C[C@H](CC(=O)NC[C@@H]1[NH2+]CCc2ccccc21)n1cc(Br)cn1 ZINC000834764978 660832415 /nfs/dbraw/zinc/83/24/15/660832415.db2.gz PSTMAEFSJKOWST-WBMJQRKESA-N 1 0 377.286 2.600 20 0 GFADRO COc1cc(C(=O)NC2CCC(C)([NH+]3CCC3)CC2)cnc1Br ZINC000834783412 660832965 /nfs/dbraw/zinc/83/29/65/660832965.db2.gz JQNKNGIJMSBTIC-UHFFFAOYSA-N 1 0 382.302 2.990 20 0 GFADRO CC1([NH+]2CCC2)CCC(NC(=O)c2nccn3c(Br)cnc23)CC1 ZINC000834786126 660833187 /nfs/dbraw/zinc/83/31/87/660833187.db2.gz MLQUMQMCLGGAOE-UHFFFAOYSA-N 1 0 392.301 2.629 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)c2ccc(C3SCCS3)cc2)CC12CCOCC2 ZINC000834854249 660835417 /nfs/dbraw/zinc/83/54/17/660835417.db2.gz SUXQSTBAXCANLY-INIZCTEOSA-N 1 0 378.563 2.993 20 0 GFADRO C[C@H]([NH2+]Cc1cccc(S(=O)(=O)N(C)C)c1)c1ccc(Br)nc1 ZINC000834882139 660836894 /nfs/dbraw/zinc/83/68/94/660836894.db2.gz IJANJADMPQWEKT-LBPRGKRZSA-N 1 0 398.326 2.945 20 0 GFADRO C[C@@H](CC(=O)Nc1cccnc1Cl)[NH2+]Cc1cccc(S(C)(=O)=O)c1 ZINC000834883987 660836904 /nfs/dbraw/zinc/83/69/04/660836904.db2.gz TWJYMGFSIYOVGW-LBPRGKRZSA-N 1 0 381.885 2.645 20 0 GFADRO CCC[C@H](C)NS(=O)(=O)c1cc(C(=O)NC[C@@H](C)[NH3+])c(Cl)cc1Cl ZINC000834682418 660829765 /nfs/dbraw/zinc/82/97/65/660829765.db2.gz SDNYNTIEBZCCOT-ZJUUUORDSA-N 1 0 396.340 2.537 20 0 GFADRO Cn1ncc(Br)c1C(=O)OCCCOCCC[NH+]1CCCCC1 ZINC000835165022 660843052 /nfs/dbraw/zinc/84/30/52/660843052.db2.gz NAIIKNCIIDUJER-UHFFFAOYSA-N 1 0 388.306 2.622 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)NC[C@@H](O)c2ccccc2Br)C1 ZINC000836373970 660902337 /nfs/dbraw/zinc/90/23/37/660902337.db2.gz ISGRDWXBTHTLQM-XJKCOSOUSA-N 1 0 384.318 2.655 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)NC[C@H](O)c2ccccc2Br)C1 ZINC000836373964 660902346 /nfs/dbraw/zinc/90/23/46/660902346.db2.gz ISGRDWXBTHTLQM-IOASZLSFSA-N 1 0 384.318 2.655 20 0 GFADRO CN1CCC(CNC(=O)NC[C@]2(C)CC2(Cl)Cl)([NH+]2CCCCC2)CC1 ZINC000836589565 660918289 /nfs/dbraw/zinc/91/82/89/660918289.db2.gz NJKVKELMQSIOGV-INIZCTEOSA-N 1 0 391.387 2.820 20 0 GFADRO C[C@@]1(CCNC(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)CC1(Cl)Cl ZINC000836619480 660921691 /nfs/dbraw/zinc/92/16/91/660921691.db2.gz KVCUTYWGTZITJK-GDBMZVCRSA-N 1 0 378.344 2.903 20 0 GFADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)Nc1ccc(Br)c(C2CC2)n1 ZINC000836686153 660929813 /nfs/dbraw/zinc/92/98/13/660929813.db2.gz XBVWHWZSUMLDDR-STQMWFEESA-N 1 0 395.301 2.706 20 0 GFADRO Cc1cc(Br)nc(NC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)c1 ZINC000836759430 660938972 /nfs/dbraw/zinc/93/89/72/660938972.db2.gz OLFCODDORJIKCT-ZDUSSCGKSA-N 1 0 385.306 2.631 20 0 GFADRO CC[NH+]1CCN(CC(C)(C)NC(=O)Nc2cc(C)cc(Br)n2)CC1 ZINC000836769367 660942937 /nfs/dbraw/zinc/94/29/37/660942937.db2.gz OYSXVSUADYDSMF-UHFFFAOYSA-N 1 0 398.349 2.690 20 0 GFADRO C[C@H]([NH2+][C@@H](C)c1ccc(Br)cc1)C(=O)NC(=O)NCC(F)(F)F ZINC000025237889 654547546 /nfs/dbraw/zinc/54/75/46/654547546.db2.gz FMVWPRSXZQJMAA-IUCAKERBSA-N 1 0 396.207 2.876 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)C[C@@H]1Sc2ccccc2NC1=O)c1ccsc1 ZINC000025331508 654548419 /nfs/dbraw/zinc/54/84/19/654548419.db2.gz AYMKQANQJQLCRM-ZBFHGGJFSA-N 1 0 375.519 2.970 20 0 GFADRO CC(C)[C@@H](C)[N@H+](C)CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000030148743 654582775 /nfs/dbraw/zinc/58/27/75/654582775.db2.gz BNAHAFRCKJPIOY-GFCCVEGCSA-N 1 0 375.922 2.505 20 0 GFADRO CNS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc(C[NH+](C)C)cc2)c1 ZINC000030772854 654588399 /nfs/dbraw/zinc/58/83/99/654588399.db2.gz RFRUEYIVJJUACY-UHFFFAOYSA-N 1 0 381.885 2.562 20 0 GFADRO CC[NH+](CC)[C@@H](CNS(=O)(=O)c1ccc(Cl)nc1)Cc1ccccc1 ZINC000032434743 654602862 /nfs/dbraw/zinc/60/28/62/654602862.db2.gz VUCZPIDCESBFBE-MRXNPFEDSA-N 1 0 381.929 2.966 20 0 GFADRO C[C@H]1C[NH+](CCCNC(=O)C(=O)Nc2ccc(Cl)cc2Cl)C[C@H](C)O1 ZINC000041275584 654625266 /nfs/dbraw/zinc/62/52/66/654625266.db2.gz JZNTVSILAKYKMZ-RYUDHWBXSA-N 1 0 388.295 2.547 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)NNc1c(F)c(F)nc(F)c1F)c1cccs1 ZINC000043145740 654647875 /nfs/dbraw/zinc/64/78/75/654647875.db2.gz SVNVMVCZNBPHPY-SSDOTTSWSA-N 1 0 377.367 2.629 20 0 GFADRO CC[NH+]1CCN(Cc2ccc(CNC(=S)NCCCSC)cc2)CC1 ZINC000044184470 654655150 /nfs/dbraw/zinc/65/51/50/654655150.db2.gz IVKJASKJDOTOQS-UHFFFAOYSA-N 1 0 380.627 2.541 20 0 GFADRO CC[NH+]1CCC(CNS(=O)(=O)c2ccc(F)cc2Br)CC1 ZINC000044411854 654657789 /nfs/dbraw/zinc/65/77/89/654657789.db2.gz GHFWAOQXOSILDL-UHFFFAOYSA-N 1 0 379.295 2.598 20 0 GFADRO CC[NH+]1CCC(CNS(=O)(=O)c2cc(Br)ccc2C)CC1 ZINC000044411860 654657917 /nfs/dbraw/zinc/65/79/17/654657917.db2.gz YAMAWKSQGWZCTH-UHFFFAOYSA-N 1 0 375.332 2.768 20 0 GFADRO CC(C)C(=O)Nc1nc(CC(=O)NC[C@H](c2ccsc2)[NH+](C)C)cs1 ZINC000044487053 654658723 /nfs/dbraw/zinc/65/87/23/654658723.db2.gz JESZLTCUZRNYHC-CQSZACIVSA-N 1 0 380.539 2.761 20 0 GFADRO C[C@@H]1CCC[N@H+](CCNC(=O)/C=C/c2ccc(I)o2)C1 ZINC000046877541 654687103 /nfs/dbraw/zinc/68/71/03/654687103.db2.gz JIYPLVVWPAVXAG-HOSRBBHYSA-N 1 0 388.249 2.746 20 0 GFADRO CC[NH+]1CCN([C@@H](C)CNC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)CC1 ZINC000046947280 654688224 /nfs/dbraw/zinc/68/82/24/654688224.db2.gz MZBFNBAVOPDCPW-KBPBESRZSA-N 1 0 388.339 2.903 20 0 GFADRO O=C(NC1CC[NH+](CC2CC2)CC1)c1c(Br)nc2n1CCCC2 ZINC000837352998 660988495 /nfs/dbraw/zinc/98/84/95/660988495.db2.gz QRXUHWFDJMANGN-UHFFFAOYSA-N 1 0 381.318 2.586 20 0 GFADRO C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000048189724 654703427 /nfs/dbraw/zinc/70/34/27/654703427.db2.gz OWCYTYKYZQXURO-NSHDSACASA-N 1 0 384.307 2.855 20 0 GFADRO CNS(=O)(=O)c1ccc(Cl)c(C(=O)OC[C@H]2CCCC[N@@H+]2C(C)C)c1 ZINC000837371355 660989955 /nfs/dbraw/zinc/98/99/55/660989955.db2.gz AGMJMJSMWLLNPC-CYBMUJFWSA-N 1 0 388.917 2.668 20 0 GFADRO C[NH+]1CCN(c2cc(CNC(=O)c3sccc3Br)ccn2)CC1 ZINC000048329140 654704981 /nfs/dbraw/zinc/70/49/81/654704981.db2.gz FNAWNAGZVHNTGR-UHFFFAOYSA-N 1 0 395.326 2.587 20 0 GFADRO CC(C)[NH+]1CCC(NC(=O)C(=O)Nc2ccc(F)cc2Br)CC1 ZINC000048773054 654713000 /nfs/dbraw/zinc/71/30/00/654713000.db2.gz YKOPSAGOEXGUSI-UHFFFAOYSA-N 1 0 386.265 2.516 20 0 GFADRO CC[NH+]1CCN(Cc2ccc(CNC(=O)CSC(F)(F)F)cc2)CC1 ZINC000048844780 654713130 /nfs/dbraw/zinc/71/31/30/654713130.db2.gz FSMMVBGHEPTNMN-UHFFFAOYSA-N 1 0 375.460 2.693 20 0 GFADRO CS(=O)(=O)NCC[NH2+]Cc1ccc(-c2cccc(Br)c2)s1 ZINC000051188353 654722773 /nfs/dbraw/zinc/72/27/73/654722773.db2.gz SNLDTDMETLXSSF-UHFFFAOYSA-N 1 0 389.340 2.816 20 0 GFADRO C[C@H](C[NH+]1CCCCC1)NC(=O)N(C)C[C@H](O)c1ccccc1Br ZINC000837531566 661003911 /nfs/dbraw/zinc/00/39/11/661003911.db2.gz OPBXWBMURRWBGN-PBHICJAKSA-N 1 0 398.345 2.998 20 0 GFADRO [NH3+]C[C@H](NC(=O)c1csc(I)c1)C1CCCCC1 ZINC000121982097 654726807 /nfs/dbraw/zinc/72/68/07/654726807.db2.gz OUYSDKPRGYMWQI-NSHDSACASA-N 1 0 378.279 2.990 20 0 GFADRO Cc1sc(Br)cc1S(=O)(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000122288685 654732236 /nfs/dbraw/zinc/73/22/36/654732236.db2.gz SFEBKBFNZCHMAG-RYUDHWBXSA-N 1 0 393.372 2.972 20 0 GFADRO CC(C)[C@H](CNS(=O)(=O)c1ccc(C(C)(C)C)s1)N1CC[NH+](C)CC1 ZINC000122335726 654734511 /nfs/dbraw/zinc/73/45/11/654734511.db2.gz HMZYHFRUNRADMI-HNNXBMFYSA-N 1 0 387.615 2.596 20 0 GFADRO C[N@@H+]1CCC[C@H]2CN(S(=O)(=O)Cc3ccc(Br)cc3)CC[C@@H]21 ZINC000122346909 654734997 /nfs/dbraw/zinc/73/49/97/654734997.db2.gz MFDPTVCGSKJKIH-HOCLYGCPSA-N 1 0 387.343 2.695 20 0 GFADRO CCCS(=O)(=O)N1CCC([NH2+]Cc2ccc(Br)cc2F)CC1 ZINC000122936779 654747393 /nfs/dbraw/zinc/74/73/93/654747393.db2.gz GFRXQUPGVRNNFX-UHFFFAOYSA-N 1 0 393.322 2.882 20 0 GFADRO COc1cccc([C@@H](CNC(=O)c2[nH]nc(C)c2Br)[NH+](C)C)c1 ZINC000053758286 654749850 /nfs/dbraw/zinc/74/98/50/654749850.db2.gz NRKHLKADWPTBBF-CYBMUJFWSA-N 1 0 381.274 2.522 20 0 GFADRO Cc1[nH]c(=S)sc1CC(=O)Nc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000054776315 654764014 /nfs/dbraw/zinc/76/40/14/654764014.db2.gz NZLAWOWURNXWEB-UHFFFAOYSA-N 1 0 376.551 2.669 20 0 GFADRO Cc1ccc(NC(=O)C(=O)NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)cc1Br ZINC000123817146 654764660 /nfs/dbraw/zinc/76/46/60/654764660.db2.gz HBEAMCYYFSUEHT-GXTWGEPZSA-N 1 0 396.329 2.933 20 0 GFADRO C[C@@H]1CCC[N@H+](CCNC(=O)Cc2cccc(I)c2)C1 ZINC000123953035 654766912 /nfs/dbraw/zinc/76/69/12/654766912.db2.gz CZVCRAOOMWLSES-CYBMUJFWSA-N 1 0 386.277 2.682 20 0 GFADRO Cc1cc(NC(=O)C[NH2+]C2(c3cccc(Br)c3)CCOCC2)on1 ZINC000055055646 654768258 /nfs/dbraw/zinc/76/82/58/654768258.db2.gz PFVYMSMLOMSRIY-UHFFFAOYSA-N 1 0 394.269 2.980 20 0 GFADRO Cc1sc(C(=O)NCCCC[N@H+]2CCCC[C@@H]2C)cc1CS(C)(=O)=O ZINC000124267429 654773239 /nfs/dbraw/zinc/77/32/39/654773239.db2.gz XMCLKBDITOQANT-AWEZNQCLSA-N 1 0 386.583 2.986 20 0 GFADRO C[C@@H]1C[C@@H](N(C)C(=O)c2ccc(I)c(F)c2)CC[N@@H+]1C ZINC000124620035 654779714 /nfs/dbraw/zinc/77/97/14/654779714.db2.gz QIYBVGSXLRSVIC-PWSUYJOCSA-N 1 0 390.240 2.985 20 0 GFADRO C[C@@H](CNC(=O)Cn1c(=S)[nH]nc1-c1cccs1)[N@@H+]1CCC[C@@H](C)C1 ZINC000125076964 654787564 /nfs/dbraw/zinc/78/75/64/654787564.db2.gz KFZYSCVOCMMSKY-OLZOCXBDSA-N 1 0 379.555 2.906 20 0 GFADRO CC(C)[N@@H+]1CCCC[C@H]1COC(=O)c1nccn2c(Br)cnc12 ZINC000837614135 661008242 /nfs/dbraw/zinc/00/82/42/661008242.db2.gz WLDKFRZFNOLUOD-LBPRGKRZSA-N 1 0 381.274 2.912 20 0 GFADRO COc1cccc([C@@H](CNC(=O)c2cccnc2Br)[NH+](C)C)c1 ZINC000125598775 654799199 /nfs/dbraw/zinc/79/91/99/654799199.db2.gz XAXBMRNMQLECHP-OAHLLOKOSA-N 1 0 378.270 2.885 20 0 GFADRO O[C@@H](COc1ccc(Cl)cc1Cl)CN1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000057942300 654813002 /nfs/dbraw/zinc/81/30/02/654813002.db2.gz UZYWEVZRVWEHOI-HZPDHXFCSA-N 1 0 389.323 2.530 20 0 GFADRO O[C@H](COc1ccc(Cl)cc1Cl)CN1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000057942297 654813043 /nfs/dbraw/zinc/81/30/43/654813043.db2.gz UZYWEVZRVWEHOI-HOTGVXAUSA-N 1 0 389.323 2.530 20 0 GFADRO CN(C(=O)CSc1nncs1)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000126806993 654821125 /nfs/dbraw/zinc/82/11/25/654821125.db2.gz JGHAAFSARYKMQL-UHFFFAOYSA-N 1 0 378.523 2.768 20 0 GFADRO COC(=O)c1ccc(S(=O)(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)c(Cl)c1 ZINC000060357590 654828214 /nfs/dbraw/zinc/82/82/14/654828214.db2.gz QLTCMOKPZVSHDT-CYBMUJFWSA-N 1 0 388.917 2.525 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000060470580 654830163 /nfs/dbraw/zinc/83/01/63/654830163.db2.gz VFZWMVBZSCODSG-BXUZGUMPSA-N 1 0 382.291 2.699 20 0 GFADRO C[NH+]1CCN(Cc2cccc(NC(=O)c3ccnc(Br)c3)c2)CC1 ZINC000127529143 654831441 /nfs/dbraw/zinc/83/14/41/654831441.db2.gz UMUXIOGKGVZEBW-UHFFFAOYSA-N 1 0 389.297 2.844 20 0 GFADRO O=C1C[C@H]([N@@H+]2CC[C@H]3OCCC[C@@H]3C2)C(=O)N1c1ccc(Br)cc1 ZINC000127813013 654834700 /nfs/dbraw/zinc/83/47/00/654834700.db2.gz OISZCDFRAVVTBJ-UHOFOFEASA-N 1 0 393.281 2.582 20 0 GFADRO O=C(CCc1ccc(Br)cc1F)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000061648893 654841510 /nfs/dbraw/zinc/84/15/10/654841510.db2.gz CFUXNDQBUJXBIS-LSDHHAIUSA-N 1 0 385.277 2.500 20 0 GFADRO CCCC[N@H+](C)CC(=O)N1CCN(Cc2ccc(Br)s2)CC1 ZINC000061757781 654842327 /nfs/dbraw/zinc/84/23/27/654842327.db2.gz NUMNXPKXHAYSRM-UHFFFAOYSA-N 1 0 388.375 2.887 20 0 GFADRO C[NH+](C)CCNC(=O)c1ccccc1C(=O)c1ccc(Br)cc1 ZINC000128236972 654842979 /nfs/dbraw/zinc/84/29/79/654842979.db2.gz IJBZFMRKJVCZMS-UHFFFAOYSA-N 1 0 375.266 2.972 20 0 GFADRO O=C(Nc1ccc(Cl)c(Cl)c1)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000128456415 654847242 /nfs/dbraw/zinc/84/72/42/654847242.db2.gz RBIDZDYWWBZOOK-UHFFFAOYSA-N 1 0 379.247 2.676 20 0 GFADRO O=C(Nc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000128458210 654847506 /nfs/dbraw/zinc/84/75/06/654847506.db2.gz QBKKBAXUUBZAQZ-UHFFFAOYSA-N 1 0 379.247 2.676 20 0 GFADRO C[C@@H]1C[N@@H+](CCCNC(=O)c2cc(F)c(F)cc2Br)C[C@H](C)O1 ZINC000128637974 654849317 /nfs/dbraw/zinc/84/93/17/654849317.db2.gz GDXLBOJXDFDNOQ-PHIMTYICSA-N 1 0 391.256 2.956 20 0 GFADRO COCC[N@H+]1[C@H](C)CN(CC(=O)Nc2ccc(Br)cc2C)C[C@@H]1C ZINC000129320755 654862567 /nfs/dbraw/zinc/86/25/67/654862567.db2.gz YHKPYNBSOQPYIS-GASCZTMLSA-N 1 0 398.345 2.737 20 0 GFADRO O=C(CN1CC[NH+](CCc2cccs2)CC1)NCc1ccc(Cl)s1 ZINC000064352652 654866961 /nfs/dbraw/zinc/86/69/61/654866961.db2.gz PEZWMDRZVAEJTC-UHFFFAOYSA-N 1 0 383.970 2.940 20 0 GFADRO CCN1CC[NH+](C[C@H](C)CNC(=O)c2cc(Br)cn2C(C)C)CC1 ZINC000266324807 654872155 /nfs/dbraw/zinc/87/21/55/654872155.db2.gz QLAHPBNRVVIWBQ-OAHLLOKOSA-N 1 0 399.377 2.835 20 0 GFADRO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NCCc1nc(C(F)(F)F)cs1 ZINC000266551892 654884844 /nfs/dbraw/zinc/88/48/44/654884844.db2.gz SCWRXNXIWVCXNB-CQSZACIVSA-N 1 0 379.448 2.614 20 0 GFADRO C[C@H](CNC(=O)N1CC[C@H](C[NH+](C)C)C1)Oc1ccccc1Br ZINC000130254359 654885818 /nfs/dbraw/zinc/88/58/18/654885818.db2.gz DPJKRSDNBCHHRH-ZIAGYGMSSA-N 1 0 384.318 2.810 20 0 GFADRO C[NH+](C)CCC(=O)Nc1ccc(NC(=O)c2cc(Br)c[nH]2)cc1 ZINC000065909910 654890175 /nfs/dbraw/zinc/89/01/75/654890175.db2.gz UFPPNAUSNIOZBO-UHFFFAOYSA-N 1 0 379.258 2.920 20 0 GFADRO C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)CSc1cccc[n+]1[O-] ZINC000065936812 654891077 /nfs/dbraw/zinc/89/10/77/654891077.db2.gz OLHKCRGCCSLWMK-UHFFFAOYSA-N 1 0 379.913 2.656 20 0 GFADRO Cc1n[nH]c(C(=O)N(CC[NH+](C)C)Cc2cccc(F)c2)c1Br ZINC000065939367 654891115 /nfs/dbraw/zinc/89/11/15/654891115.db2.gz FZZKRSOUSITZKR-UHFFFAOYSA-N 1 0 383.265 2.824 20 0 GFADRO CC[NH+](CC)CCSCC(=O)Nc1cccc(C[S@](=O)CCOC)c1 ZINC000266827373 654895799 /nfs/dbraw/zinc/89/57/99/654895799.db2.gz HJVMEMKGHWANBY-RUZDIDTESA-N 1 0 386.583 2.595 20 0 GFADRO CC[C@H](C)[N@H+](C)CCNC(=O)C[C@H](NC(C)=O)c1ccc(Br)cc1 ZINC000066149866 654896012 /nfs/dbraw/zinc/89/60/12/654896012.db2.gz VPDWIKSWAJIEIU-GUYCJALGSA-N 1 0 398.345 2.863 20 0 GFADRO COc1cc(Br)c(CNC(=O)NCC[N@H+](C)C(C)C)cc1OC ZINC000066194975 654896681 /nfs/dbraw/zinc/89/66/81/654896681.db2.gz PIMXQIPIAXJUDY-UHFFFAOYSA-N 1 0 388.306 2.606 20 0 GFADRO CCN(CCC[NH2+][C@H](C)c1ccc(Br)c(F)c1)S(C)(=O)=O ZINC000131231363 654899992 /nfs/dbraw/zinc/89/99/92/654899992.db2.gz RRMWWNLCUZYXDP-LLVKDONJSA-N 1 0 381.311 2.910 20 0 GFADRO O=C(Nc1nnc(-c2ccsc2)s1)N1CC[NH+](C2CCOCC2)CC1 ZINC000267056082 654907402 /nfs/dbraw/zinc/90/74/02/654907402.db2.gz RVAWJVPTWBGKJQ-UHFFFAOYSA-N 1 0 379.511 2.595 20 0 GFADRO C[NH+]1CCC(O)(CNC(=O)CCCOc2ccc(Cl)cc2Cl)CC1 ZINC000267105490 654911047 /nfs/dbraw/zinc/91/10/47/654911047.db2.gz MFDACMXCAAPYOY-UHFFFAOYSA-N 1 0 375.296 2.725 20 0 GFADRO C[NH+](C)C1CCN(CCNC(=O)c2ccc(Br)cc2Cl)CC1 ZINC000267233093 654919218 /nfs/dbraw/zinc/91/92/18/654919218.db2.gz JMPBQNKSWFJPRA-UHFFFAOYSA-N 1 0 388.737 2.858 20 0 GFADRO Cc1[nH]c(=O)c(C(=O)N2CC[NH+](C3CCCCC3)CC2)cc1Br ZINC000132251064 654930655 /nfs/dbraw/zinc/93/06/55/654930655.db2.gz JXRQMWOSFJNUGE-UHFFFAOYSA-N 1 0 382.302 2.949 20 0 GFADRO COc1c(Cl)cccc1NC(=O)C(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000067321968 654935397 /nfs/dbraw/zinc/93/53/97/654935397.db2.gz GXMXMBXPEXJOAX-CYBMUJFWSA-N 1 0 381.885 2.768 20 0 GFADRO CC(=O)N1CSC[C@H]1C(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000132459308 654938354 /nfs/dbraw/zinc/93/83/54/654938354.db2.gz WIUNZUCMNBEJQS-CVEARBPZSA-N 1 0 381.567 2.559 20 0 GFADRO O=C(Nc1cc(Br)c[nH]c1=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000067937924 654949224 /nfs/dbraw/zinc/94/92/24/654949224.db2.gz LZVUIJJRHQWDRP-CQSZACIVSA-N 1 0 390.281 2.988 20 0 GFADRO CCO[C@H](CC[NH+](C)C)CNC(=O)Cc1cn2cc(Cl)cc(Cl)c2n1 ZINC000267915337 654951762 /nfs/dbraw/zinc/95/17/62/654951762.db2.gz BVMMJYPHFPEQEV-CQSZACIVSA-N 1 0 387.311 2.657 20 0 GFADRO CC[NH+](CC)CCCCNC(=O)c1cc(Cn2cc(Br)cn2)on1 ZINC000133009984 654951778 /nfs/dbraw/zinc/95/17/78/654951778.db2.gz QRSWBQAINOXTII-UHFFFAOYSA-N 1 0 398.305 2.534 20 0 GFADRO CCn1c(SCC(=O)N2CCC[C@@H]2C[NH+](C)C)nnc1-c1cccs1 ZINC000268076892 654958243 /nfs/dbraw/zinc/95/82/43/654958243.db2.gz BYPBOUJUKLTNKE-CYBMUJFWSA-N 1 0 379.555 2.671 20 0 GFADRO C[C@H](NC(=O)C(=O)Nc1ccc(F)cc1Br)C(C)(C)C[NH+](C)C ZINC000133409441 654963411 /nfs/dbraw/zinc/96/34/11/654963411.db2.gz BBDYYTJXUPNCGR-JTQLQIEISA-N 1 0 388.281 2.619 20 0 GFADRO CC(C)[N@H+](C)CCNC(=O)Nc1cccc(F)c1I ZINC000133512665 654965389 /nfs/dbraw/zinc/96/53/89/654965389.db2.gz AJHMZHOMSLEZLK-UHFFFAOYSA-N 1 0 379.217 2.892 20 0 GFADRO CC(C)[N@@H+]1CCCN(C(=O)CSc2nnc(-c3cccs3)n2C)CC1 ZINC000068776614 654967795 /nfs/dbraw/zinc/96/77/95/654967795.db2.gz XMOANERWDLGSOG-UHFFFAOYSA-N 1 0 379.555 2.578 20 0 GFADRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)c2ccc(Br)o2)CC1 ZINC000133733579 654972419 /nfs/dbraw/zinc/97/24/19/654972419.db2.gz STQITNXBHBCLQG-OKILXGFUSA-N 1 0 384.318 2.673 20 0 GFADRO CCOC(=O)[C@H](Cc1cc(Cl)cc(Cl)c1)NC(=O)C1CC[NH+](C)CC1 ZINC000268462246 654972956 /nfs/dbraw/zinc/97/29/56/654972956.db2.gz MUVLMRNEOAKWAM-INIZCTEOSA-N 1 0 387.307 2.926 20 0 GFADRO CN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc(Br)c(Cl)c1 ZINC000133893097 654976665 /nfs/dbraw/zinc/97/66/65/654976665.db2.gz FGRHWTNTNYVVFC-UHFFFAOYSA-N 1 0 381.723 2.817 20 0 GFADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)Nc1ccc2cc(Br)ccc2c1 ZINC000268685811 654982466 /nfs/dbraw/zinc/98/24/66/654982466.db2.gz GFZZOQGQYJFXEI-KRWDZBQOSA-N 1 0 391.313 2.970 20 0 GFADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)C1(c2ccc(Br)cc2)CC1 ZINC000069532072 654983083 /nfs/dbraw/zinc/98/30/83/654983083.db2.gz BRQITPAESNREQF-INIZCTEOSA-N 1 0 381.314 2.708 20 0 GFADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000069531209 654983158 /nfs/dbraw/zinc/98/31/58/654983158.db2.gz VYMMDMLQAPVEQG-GXTWGEPZSA-N 1 0 375.296 2.988 20 0 GFADRO C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCCN2C(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000134140731 654984385 /nfs/dbraw/zinc/98/43/85/654984385.db2.gz SKRIINYLWIHWBX-CZUORRHYSA-N 1 0 384.307 2.808 20 0 GFADRO NC(=O)[C@@H]1CCCN1CCC[NH2+][C@@H]1CCCOc2c(Br)cccc21 ZINC000268869271 654989501 /nfs/dbraw/zinc/98/95/01/654989501.db2.gz FVNFKMFFFTZDFX-CVEARBPZSA-N 1 0 396.329 2.592 20 0 GFADRO CCOC(=O)C1(NC(=O)CSCc2ccc(Cl)cc2)CC[NH+](C)CC1 ZINC000134320489 654990607 /nfs/dbraw/zinc/99/06/07/654990607.db2.gz VHQPMEDVHRSDEA-UHFFFAOYSA-N 1 0 384.929 2.717 20 0 GFADRO CCOC(=O)C1(NC(=O)/C=C/c2ccccc2Br)CC[NH+](C)CC1 ZINC000134324931 654990821 /nfs/dbraw/zinc/99/08/21/654990821.db2.gz XBKVVVOVBTVZNB-CMDGGOBGSA-N 1 0 395.297 2.606 20 0 GFADRO C[C@@H]1CN(C(=O)c2ccc(I)cc2Cl)CC[C@H]1[NH3+] ZINC000269178239 655000708 /nfs/dbraw/zinc/00/07/08/655000708.db2.gz CIFXMDLFFWYZGD-PRHODGIISA-N 1 0 378.641 2.754 20 0 GFADRO C[C@@H]1CN(C(=O)[C@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)CC[C@H]1[NH3+] ZINC000269200914 655001448 /nfs/dbraw/zinc/00/14/48/655001448.db2.gz KGBHBJAVVZETBW-HFBAOOFYSA-N 1 0 384.307 2.794 20 0 GFADRO Cc1ccc(-n2nc(Br)cc2C(=O)N2CC[C@H]([NH3+])[C@@H](C)C2)cc1 ZINC000269207029 655001715 /nfs/dbraw/zinc/00/17/15/655001715.db2.gz MHZBALWVVQJSSG-JSGCOSHPSA-N 1 0 377.286 2.753 20 0 GFADRO C[C@H](NC(=O)c1cnn(-c2cccc(Br)c2)c1)[C@@H]1CCC[NH2+]C1 ZINC000269219040 655001924 /nfs/dbraw/zinc/00/19/24/655001924.db2.gz RPVPXSTYPWIWRQ-QWHCGFSZSA-N 1 0 377.286 2.753 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)NC2CC[NH+](C3CC3)CC2)c(Br)c1 ZINC000269253596 655003209 /nfs/dbraw/zinc/00/32/09/655003209.db2.gz CRBYIBYIIUJJKI-UHFFFAOYSA-N 1 0 394.313 2.747 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)NCCOc2ncc(Cl)cc2Cl)C1 ZINC000134877141 655004879 /nfs/dbraw/zinc/00/48/79/655004879.db2.gz SPWNFKWMJCSSCH-CHWSQXEVSA-N 1 0 375.300 2.939 20 0 GFADRO C[NH+](C)[C@@H]1CCN(c2ccc(NC(=O)c3ccc(Br)o3)nc2)C1 ZINC000269442465 655009505 /nfs/dbraw/zinc/00/95/05/655009505.db2.gz RBWVBMWGRSTAGO-GFCCVEGCSA-N 1 0 379.258 2.830 20 0 GFADRO C[C@H](C(=O)N(C)C)[NH+]1CCC(C(=O)Nc2cccc(Br)c2)CC1 ZINC000269593753 655014587 /nfs/dbraw/zinc/01/45/87/655014587.db2.gz CWAXIFBWUYDGLO-GFCCVEGCSA-N 1 0 382.302 2.576 20 0 GFADRO C[C@H]1C[NH+](CCCNc2cc(Br)cc(F)c2C(N)=O)C[C@H](C)O1 ZINC000092827914 655015862 /nfs/dbraw/zinc/01/58/62/655015862.db2.gz GEZZQFPKANPDML-QWRGUYRKSA-N 1 0 388.281 2.598 20 0 GFADRO Cc1c(C(=O)N[C@H]2CC[C@H]([NH+](C)C)C2)nnn1-c1cccc(Br)c1 ZINC000093991112 655025764 /nfs/dbraw/zinc/02/57/64/655025764.db2.gz ORGTWMHOEDWKIV-KBPBESRZSA-N 1 0 392.301 2.551 20 0 GFADRO O=C([C@@H]1CCn2cncc2C1)N1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000135996953 655026151 /nfs/dbraw/zinc/02/61/51/655026151.db2.gz SCANARKJTLTVEF-RHSMWYFYSA-N 1 0 390.281 2.808 20 0 GFADRO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2cnn3cc(Br)cnc23)C1 ZINC000094038662 655026508 /nfs/dbraw/zinc/02/65/08/655026508.db2.gz MTNXVRLIFNZJDZ-LBPRGKRZSA-N 1 0 394.317 2.732 20 0 GFADRO O=C(Nc1cc(F)ccc1Br)N1CC[NH+](C2CCOCC2)CC1 ZINC000136400916 655030839 /nfs/dbraw/zinc/03/08/39/655030839.db2.gz WQVBEVJFPCSMBD-UHFFFAOYSA-N 1 0 386.265 2.917 20 0 GFADRO CSCC[C@H](CO)NC(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000136808500 655035587 /nfs/dbraw/zinc/03/55/87/655035587.db2.gz XBNNUVOIIIXAKQ-IAGOWNOFSA-N 1 0 385.961 2.890 20 0 GFADRO O=C(CCc1cccc(Br)c1)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000136848024 655036108 /nfs/dbraw/zinc/03/61/08/655036108.db2.gz WBQADCIZACXTRW-MRXNPFEDSA-N 1 0 395.341 2.999 20 0 GFADRO CC[NH+](CC)CCN(C(=O)c1ccc(C)c(Cl)c1)[C@H]1CCS(=O)(=O)C1 ZINC000270172330 655036195 /nfs/dbraw/zinc/03/61/95/655036195.db2.gz AMLABQSBLWGLMJ-INIZCTEOSA-N 1 0 386.945 2.620 20 0 GFADRO CCC[NH+]1CCC(N(C)C(=O)c2cncc(I)c2)CC1 ZINC000270187648 655036703 /nfs/dbraw/zinc/03/67/03/655036703.db2.gz HNVDDPFWZVUTIT-UHFFFAOYSA-N 1 0 387.265 2.633 20 0 GFADRO C[NH+]1CCC(NC(=O)Nc2ccc(NC(=O)C3SCCS3)cc2)CC1 ZINC000270516614 655047647 /nfs/dbraw/zinc/04/76/47/655047647.db2.gz PVGKJZREPZXJSF-UHFFFAOYSA-N 1 0 380.539 2.647 20 0 GFADRO CC(C)CC[C@@H](C)[NH2+][C@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000151606676 655052987 /nfs/dbraw/zinc/05/29/87/655052987.db2.gz LLRSOUSBFPUFMT-HUUCEWRRSA-N 1 0 390.571 2.888 20 0 GFADRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)c1cc(Br)cnc1Cl ZINC000102491270 655055542 /nfs/dbraw/zinc/05/55/42/655055542.db2.gz LLQHNBWOTQJTGP-LBPRGKRZSA-N 1 0 390.709 2.680 20 0 GFADRO C[N@@H+]1CCN(CC(=O)Nc2c(F)cc(F)cc2Br)C(C)(C)C1 ZINC000270875484 655058604 /nfs/dbraw/zinc/05/86/04/655058604.db2.gz AOOCGCYLHCHPPW-UHFFFAOYSA-N 1 0 376.245 2.692 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)c1cc(Cl)c(Cl)[nH]1 ZINC000270927430 655060229 /nfs/dbraw/zinc/06/02/29/655060229.db2.gz UWUJUKHLLDLJGC-UKRRQHHQSA-N 1 0 382.291 2.934 20 0 GFADRO COc1ccc(C[NH+]2CCC(CCC(N)=O)CC2)c(Br)c1OC ZINC000270982826 655062369 /nfs/dbraw/zinc/06/23/69/655062369.db2.gz AATTUWYBNGHEQC-UHFFFAOYSA-N 1 0 385.302 2.944 20 0 GFADRO NC(=O)CCC1CC[NH+](C[C@@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000271086250 655066138 /nfs/dbraw/zinc/06/61/38/655066138.db2.gz GKUBYBWOJVMBBN-CQSZACIVSA-N 1 0 375.296 2.711 20 0 GFADRO CN(CC[NH+]1CCCC1)S(=O)(=O)c1cc(Br)ccc1Cl ZINC000103162144 655068511 /nfs/dbraw/zinc/06/85/11/655068511.db2.gz KREYHCAIPLZCRX-UHFFFAOYSA-N 1 0 381.723 2.819 20 0 GFADRO CCOc1cc(C[NH2+][C@@H](CCSC)C(=O)N(C)OC)cc(Cl)c1O ZINC000838978710 661066750 /nfs/dbraw/zinc/06/67/50/661066750.db2.gz DKEXLDCXUACSIJ-ZDUSSCGKSA-N 1 0 376.906 2.675 20 0 GFADRO COc1cc(C[NH2+][C@H]2CCO[C@@H](C)C2)cc(I)c1OC ZINC000271211621 655070635 /nfs/dbraw/zinc/07/06/35/655070635.db2.gz DGGUXUDTZUEMJQ-JQWIXIFHSA-N 1 0 391.249 2.966 20 0 GFADRO C[N@H+](CC1CCS(=O)(=O)CC1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000271217704 655071186 /nfs/dbraw/zinc/07/11/86/655071186.db2.gz JDQZYQWFGNKXJY-HZPDHXFCSA-N 1 0 378.321 2.708 20 0 GFADRO CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@@H]2CCOC3(CCSCC3)C2)c1 ZINC000271523983 655083935 /nfs/dbraw/zinc/08/39/35/655083935.db2.gz PURCKKIPGVXZBI-GOEBONIOSA-N 1 0 384.567 2.690 20 0 GFADRO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+][C@H]2CCOC3(CCSCC3)C2)c1 ZINC000271523989 655084010 /nfs/dbraw/zinc/08/40/10/655084010.db2.gz PURCKKIPGVXZBI-ZBFHGGJFSA-N 1 0 384.567 2.690 20 0 GFADRO C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]C[C@@H](O)C1CCOCC1 ZINC000271527363 655084019 /nfs/dbraw/zinc/08/40/19/655084019.db2.gz RHBXRIDMCBOCKE-BLLLJJGKSA-N 1 0 385.302 2.543 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N(C)Cc2ccc(Cl)s2)CC1=O ZINC000105316941 655090488 /nfs/dbraw/zinc/09/04/88/655090488.db2.gz VEUPRDFBVNDMAE-ZIAGYGMSSA-N 1 0 383.945 2.693 20 0 GFADRO Brc1ccccc1-n1cc(CNC2CC[NH+](CC3CC3)CC2)nn1 ZINC000271691047 655091516 /nfs/dbraw/zinc/09/15/16/655091516.db2.gz KKSOVUNGQWXZMX-UHFFFAOYSA-N 1 0 390.329 2.994 20 0 GFADRO CS(=O)(=O)[C@@H]1CCCC[C@H]1[NH2+]CCCNc1ccc(C(F)(F)F)cn1 ZINC000271784242 655094779 /nfs/dbraw/zinc/09/47/79/655094779.db2.gz GMCBZRMHCOLHBA-ZIAGYGMSSA-N 1 0 379.448 2.848 20 0 GFADRO COc1cc(Cl)c(S(=O)(=O)NC2CC[NH+](C3CC3)CC2)cc1Cl ZINC000105616670 655096104 /nfs/dbraw/zinc/09/61/04/655096104.db2.gz BFZILDONNOSMBF-UHFFFAOYSA-N 1 0 379.309 2.907 20 0 GFADRO Cc1ccc(C[NH2+][C@H]2CCO[C@]3(CCS(=O)(=O)C3)C2)cc1Br ZINC000272092457 655102511 /nfs/dbraw/zinc/10/25/11/655102511.db2.gz TUOPKPSAANMYNG-GOEBONIOSA-N 1 0 388.327 2.583 20 0 GFADRO CC(C)OCC[NH+]1CCC(NS(=O)(=O)c2c(Cl)ccnc2Cl)CC1 ZINC000272216557 655106127 /nfs/dbraw/zinc/10/61/27/655106127.db2.gz MSCKLLWDXBRDPX-UHFFFAOYSA-N 1 0 396.340 2.556 20 0 GFADRO Cn1ccnc1Sc1ncc(C(=O)N2CCC[C@H]([NH+](C)C)C2)cc1Cl ZINC000106363772 655107057 /nfs/dbraw/zinc/10/70/57/655107057.db2.gz UPBWZZMXTOBXOO-ZDUSSCGKSA-N 1 0 379.917 2.786 20 0 GFADRO CC(C)(O)C[NH+]1CCN(C(=O)CCSc2nc3ccccc3s2)CC1 ZINC000106400428 655108149 /nfs/dbraw/zinc/10/81/49/655108149.db2.gz NGFUKGJNHOSLSY-UHFFFAOYSA-N 1 0 379.551 2.694 20 0 GFADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)c3cc(F)ccc3I)[C@H]2C1 ZINC000272455687 655113314 /nfs/dbraw/zinc/11/33/14/655113314.db2.gz JWROZHWLZWZNNO-YGRLFVJLSA-N 1 0 388.224 2.597 20 0 GFADRO CC(C)[C@H](C(=O)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1)[NH+](C)C ZINC000106906321 655114149 /nfs/dbraw/zinc/11/41/49/655114149.db2.gz YTKNNZPASXWHAU-MRXNPFEDSA-N 1 0 386.323 2.864 20 0 GFADRO CC(C)[C@@H](C(=O)NC[C@H]1CCN(c2cccc(Br)c2)C1)[NH+](C)C ZINC000106910941 655114406 /nfs/dbraw/zinc/11/44/06/655114406.db2.gz OITGLYOJYLWGSV-PBHICJAKSA-N 1 0 382.346 2.978 20 0 GFADRO COc1ccsc1S(=O)(=O)N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272485847 655114520 /nfs/dbraw/zinc/11/45/20/655114520.db2.gz VMFLVFKLZUXPAR-GOEBONIOSA-N 1 0 380.535 2.946 20 0 GFADRO CC[C@H]([NH2+]C1CCN(CCS(C)(=O)=O)CC1)c1cc(Cl)ccc1OC ZINC000159908665 655117648 /nfs/dbraw/zinc/11/76/48/655117648.db2.gz SAIYWYZCXJUNCF-KRWDZBQOSA-N 1 0 388.961 2.898 20 0 GFADRO CS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)c1 ZINC000107531404 655122101 /nfs/dbraw/zinc/12/21/01/655122101.db2.gz YRWWFTDFUNRZBA-CQSZACIVSA-N 1 0 384.929 2.834 20 0 GFADRO O=S(=O)(c1c(Cl)nc2ccccn21)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000107707642 655124176 /nfs/dbraw/zinc/12/41/76/655124176.db2.gz HUYWXUYUATZEGA-CQSZACIVSA-N 1 0 382.917 2.627 20 0 GFADRO Cc1ccc(-n2nc(Br)cc2C(=O)N[C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000161051100 655125525 /nfs/dbraw/zinc/12/55/25/655125525.db2.gz IYACUMLIIHBAEU-STQMWFEESA-N 1 0 377.286 2.943 20 0 GFADRO CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C1 ZINC000107889996 655126053 /nfs/dbraw/zinc/12/60/53/655126053.db2.gz OZPAAYIICRNJOM-JSGCOSHPSA-N 1 0 384.307 2.804 20 0 GFADRO CC1(CNC(=O)c2cc(F)ccc2I)CC[NH2+]CC1 ZINC000273053857 655128843 /nfs/dbraw/zinc/12/88/43/655128843.db2.gz XNZWIJHNVQTCDY-UHFFFAOYSA-N 1 0 376.213 2.550 20 0 GFADRO COCCN1CC[C@@H]([NH2+]CC2(c3ccc(Br)cc3)CCOCC2)C1 ZINC000273078850 655129621 /nfs/dbraw/zinc/12/96/21/655129621.db2.gz KWKLIOWBXBLFBH-GOSISDBHSA-N 1 0 397.357 2.808 20 0 GFADRO OC[C@H]([NH2+]C[C@@H](O)COCc1ccccc1)c1ccc(Br)cc1 ZINC000273092800 655130193 /nfs/dbraw/zinc/13/01/93/655130193.db2.gz JWQXSNBSYUJCSZ-MSOLQXFVSA-N 1 0 380.282 2.650 20 0 GFADRO C[N@@H+]1CCC[C@@H](CNC(=O)C2CCN(C(=O)c3ccc(Cl)s3)CC2)C1 ZINC000108342216 655131613 /nfs/dbraw/zinc/13/16/13/655131613.db2.gz LEBKOPSLXIDZCY-ZDUSSCGKSA-N 1 0 383.945 2.712 20 0 GFADRO O=S(=O)(/C=C/c1ccc(Br)cc1)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000108403814 655131916 /nfs/dbraw/zinc/13/19/16/655131916.db2.gz IGCSBBCAMZIEQS-XAVKZTDYSA-N 1 0 385.327 2.824 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CN(C(=O)c2ccc(-c3ccc(Br)cc3)n2C)CCO1 ZINC000163132285 655134289 /nfs/dbraw/zinc/13/42/89/655134289.db2.gz GCILYMWDWDIRGW-SJCJKPOMSA-N 1 0 392.297 2.643 20 0 GFADRO CC[N@@H+]1CCCN(C(=O)C(=O)Nc2ccccc2SC(F)(F)F)CC1 ZINC000163256386 655135060 /nfs/dbraw/zinc/13/50/60/655135060.db2.gz SBJZSDZNYHNRGO-UHFFFAOYSA-N 1 0 375.416 2.791 20 0 GFADRO CC[C@H]([NH2+][C@H](C)C(=O)N(CC)[C@H]1CCS(=O)(=O)C1)c1ccc(Cl)s1 ZINC000273226472 655135814 /nfs/dbraw/zinc/13/58/14/655135814.db2.gz CADPVYYOBQFMJO-AGIUHOORSA-N 1 0 392.974 2.866 20 0 GFADRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(I)cc1)c1cnn(C)c1 ZINC000273273761 655137537 /nfs/dbraw/zinc/13/75/37/655137537.db2.gz GXNAKLJPHGZDQS-MNOVXSKESA-N 1 0 398.248 2.703 20 0 GFADRO Cn1ncc(C(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)c1Br ZINC000273321922 655139115 /nfs/dbraw/zinc/13/91/15/655139115.db2.gz ZNDFXQLXHRTPKI-OAHLLOKOSA-N 1 0 377.286 2.750 20 0 GFADRO C[C@H](C1CC[NH+](C)CC1)N(C)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F ZINC000273387632 655141513 /nfs/dbraw/zinc/14/15/13/655141513.db2.gz CQGXKRDIZJIJRM-MRVPVSSYSA-N 1 0 386.386 2.733 20 0 GFADRO COc1cc(C[NH2+][C@@H](Cc2ccccc2)C(N)=O)cc(Br)c1OC ZINC000273464558 655144258 /nfs/dbraw/zinc/14/42/58/655144258.db2.gz IGDBPUMWKDIRKJ-HNNXBMFYSA-N 1 0 393.281 2.653 20 0 GFADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)NCCc2ccccc2Br)C1 ZINC000109475864 655147350 /nfs/dbraw/zinc/14/73/50/655147350.db2.gz AAYGAEMIHYUIDC-INIZCTEOSA-N 1 0 398.345 2.648 20 0 GFADRO CC[N@@H+]1CCCN(C(=O)c2ncc(Br)cc2Br)CC1 ZINC000273574189 655148839 /nfs/dbraw/zinc/14/88/39/655148839.db2.gz GLUXFHSJTIRAHG-UHFFFAOYSA-N 1 0 391.107 2.774 20 0 GFADRO O[C@@H](COc1ccc(Cl)cc1Cl)C[N@@H+]1CCC[C@H](C2OCCO2)C1 ZINC000171139958 655149114 /nfs/dbraw/zinc/14/91/14/655149114.db2.gz JQYHTKXBGTYIIU-GXTWGEPZSA-N 1 0 376.280 2.818 20 0 GFADRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)c2cnn(C)c2Br)CC1 ZINC000273584889 655149559 /nfs/dbraw/zinc/14/95/59/655149559.db2.gz GKQAGKHTXPIGOV-GFCCVEGCSA-N 1 0 392.301 2.533 20 0 GFADRO CC[NH+]1CCN(CCCNC(=O)[C@@H]2C[C@@H]2c2ccc(Br)cc2)CC1 ZINC000109827641 655152910 /nfs/dbraw/zinc/15/29/10/655152910.db2.gz IXNRBXWMOBCMNF-QZTJIDSGSA-N 1 0 394.357 2.696 20 0 GFADRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(OC)c(O)c2Br)[C@@]12CCCO2 ZINC000273685785 655154029 /nfs/dbraw/zinc/15/40/29/655154029.db2.gz HBFXBKWLIAEDKO-VBQJREDUSA-N 1 0 386.286 2.980 20 0 GFADRO O[C@@H](C[NH2+]Cc1sc(Sc2ccccc2)nc1Cl)Cn1ccnn1 ZINC000839178822 661075134 /nfs/dbraw/zinc/07/51/34/661075134.db2.gz IFJTYDCBFNYTIQ-NSHDSACASA-N 1 0 381.914 2.690 20 0 GFADRO Cn1nc(C(=O)N(c2ccccc2)C2CC[NH+](C)CC2)cc1Br ZINC000839255474 661077204 /nfs/dbraw/zinc/07/72/04/661077204.db2.gz UZCFVTZXIGDSRT-UHFFFAOYSA-N 1 0 377.286 2.924 20 0 GFADRO O=C(NCCc1nc(C(F)(F)F)cs1)N1CCC([NH+]2CCCC2)CC1 ZINC000173553994 655174589 /nfs/dbraw/zinc/17/45/89/655174589.db2.gz MHOLIXYQKFRWAE-UHFFFAOYSA-N 1 0 376.448 2.974 20 0 GFADRO COCCOC[C@H]1CC[N@H+](CC(=O)N(C)Cc2cc(Cl)cc(Cl)c2)C1 ZINC000173728127 655177904 /nfs/dbraw/zinc/17/79/04/655177904.db2.gz DWZQZTTUNYOFTC-AWEZNQCLSA-N 1 0 389.323 2.937 20 0 GFADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)N(C)Cc1ccccc1Br ZINC000111867818 655178585 /nfs/dbraw/zinc/17/85/85/655178585.db2.gz WIBRWGXEQBULLW-OAHLLOKOSA-N 1 0 384.318 2.701 20 0 GFADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)N(C)Cc1ccc(Br)cc1 ZINC000111867823 655178670 /nfs/dbraw/zinc/17/86/70/655178670.db2.gz MPSLMARQLQFHQU-MRXNPFEDSA-N 1 0 384.318 2.701 20 0 GFADRO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NC[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000173750804 655179456 /nfs/dbraw/zinc/17/94/56/655179456.db2.gz HPBKQVJREMFMCK-IAGOWNOFSA-N 1 0 389.323 2.936 20 0 GFADRO CC[NH+]1CCC(CCNC(=O)COc2ccc(C=O)cc2Br)CC1 ZINC000173822883 655181951 /nfs/dbraw/zinc/18/19/51/655181951.db2.gz TYRPFMCVKYCNTE-UHFFFAOYSA-N 1 0 397.313 2.879 20 0 GFADRO CC[NH+]1CCN([C@H]2CCN(C(=O)c3cnc(-c4ccsc4)s3)C2)CC1 ZINC000112294649 655186943 /nfs/dbraw/zinc/18/69/43/655186943.db2.gz QDSRGRPUMKWAOZ-HNNXBMFYSA-N 1 0 376.551 2.724 20 0 GFADRO C[C@@H](C[NH+]1CCOCC1)C(=O)NCc1cc2cc(Br)ccc2[nH]1 ZINC000274417493 655187574 /nfs/dbraw/zinc/18/75/74/655187574.db2.gz NRIZZOYDUBPPFX-LBPRGKRZSA-N 1 0 380.286 2.515 20 0 GFADRO C[C@H]1CC[C@H](C)[N@H+](CC(=O)NCC(=O)Nc2ccccc2Br)C1 ZINC000174012407 655190304 /nfs/dbraw/zinc/19/03/04/655190304.db2.gz XXJFBDIMYBBEGL-STQMWFEESA-N 1 0 382.302 2.624 20 0 GFADRO CC[C@]1(C(=O)NCc2nnc3c(Cl)cc(C(F)(F)F)cn23)CCC[NH2+]1 ZINC000274619702 655194402 /nfs/dbraw/zinc/19/44/02/655194402.db2.gz PFGKJRRUZGNTIW-CQSZACIVSA-N 1 0 375.782 2.550 20 0 GFADRO Cc1c(Br)scc1C(=O)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000274628475 655194754 /nfs/dbraw/zinc/19/47/54/655194754.db2.gz VARQTXMPXFUEOO-UHFFFAOYSA-N 1 0 386.359 2.673 20 0 GFADRO O=C(NCCC[NH+]1CCCC1)C1CCN(c2cc(Br)ccn2)CC1 ZINC000274655278 655195874 /nfs/dbraw/zinc/19/58/74/655195874.db2.gz HTUHQPJDTJUPSD-UHFFFAOYSA-N 1 0 395.345 2.663 20 0 GFADRO CC[NH+]1CCN(CCNC(=O)c2cc3cc(Br)ccc3o2)CC1 ZINC000112918410 655199778 /nfs/dbraw/zinc/19/97/78/655199778.db2.gz NNPDOIKOMQYZLM-UHFFFAOYSA-N 1 0 380.286 2.563 20 0 GFADRO COC(=O)CC[N@H+](Cn1ccc(=O)c2cccc(Br)c21)C(C)C ZINC000112959169 655200553 /nfs/dbraw/zinc/20/05/53/655200553.db2.gz PQNALKLJQUKGQR-UHFFFAOYSA-N 1 0 381.270 2.995 20 0 GFADRO CCC(C)(C)[NH2+][C@H](C)C(=O)N(C)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000274805555 655202708 /nfs/dbraw/zinc/20/27/08/655202708.db2.gz NWRIJVBSDIUWKT-BXUZGUMPSA-N 1 0 384.318 2.601 20 0 GFADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)Nc1ccc(F)c(Br)c1 ZINC000274808008 655202987 /nfs/dbraw/zinc/20/29/87/655202987.db2.gz LXGVZBZMMCWZPN-LBPRGKRZSA-N 1 0 387.297 2.736 20 0 GFADRO C[NH+](C)C[C@H]1CCN(C(=O)[C@@H]2CC(=O)N(c3cc(Cl)cc(Cl)c3)C2)C1 ZINC000113454817 655210730 /nfs/dbraw/zinc/21/07/30/655210730.db2.gz YPELXBHIFHWRCY-CHWSQXEVSA-N 1 0 384.307 2.756 20 0 GFADRO COc1nc(C)c(Br)cc1C(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1 ZINC000275010561 655211161 /nfs/dbraw/zinc/21/11/61/655211161.db2.gz QCRMIEKXZDVYTP-LBPRGKRZSA-N 1 0 384.318 2.963 20 0 GFADRO C[NH+](C)C[C@H]1CCN(Cc2nc(Cc3cccc(Br)c3)no2)C1 ZINC000113514143 655211820 /nfs/dbraw/zinc/21/18/20/655211820.db2.gz NKROIRAWCPWUJI-CQSZACIVSA-N 1 0 379.302 2.806 20 0 GFADRO COc1ccc(Br)c(S(=O)(=O)NCC[N@H+](C)C2CCCC2)c1 ZINC000175272241 655217530 /nfs/dbraw/zinc/21/75/30/655217530.db2.gz VYBIQQVPBJPQFC-UHFFFAOYSA-N 1 0 391.331 2.610 20 0 GFADRO COc1cc(S(=O)(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)ccc1Br ZINC000175305765 655219351 /nfs/dbraw/zinc/21/93/51/655219351.db2.gz NKMZZZIAOPEQJO-RYUDHWBXSA-N 1 0 391.331 2.561 20 0 GFADRO C[C@H](C(=O)NCCNC(=O)c1ccc(Br)cc1)[NH+]1CCCCCC1 ZINC000114245812 655219770 /nfs/dbraw/zinc/21/97/70/655219770.db2.gz HJQQJZKUOKLHAH-CQSZACIVSA-N 1 0 396.329 2.560 20 0 GFADRO C[NH+]1CCN(c2ccc(NC(=O)Cc3ccc(Br)s3)cn2)CC1 ZINC000114316052 655221244 /nfs/dbraw/zinc/22/12/44/655221244.db2.gz WUVBWNPJAJWOLH-UHFFFAOYSA-N 1 0 395.326 2.839 20 0 GFADRO CC(C)C[C@H](CNC(=O)c1cc(=O)c2cc(Br)ccc2[nH]1)[NH+](C)C ZINC000114376547 655223109 /nfs/dbraw/zinc/22/31/09/655223109.db2.gz JTBJGOSAVWOYJO-CYBMUJFWSA-N 1 0 394.313 2.997 20 0 GFADRO Cc1csc(NC(=O)C(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)n1 ZINC000176069859 655233537 /nfs/dbraw/zinc/23/35/37/655233537.db2.gz VTQQXAACJSQPOC-JSGCOSHPSA-N 1 0 378.523 2.651 20 0 GFADRO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)Nc1cccnc1-c1ccc(Cl)s1 ZINC000275435492 655236034 /nfs/dbraw/zinc/23/60/34/655236034.db2.gz FWQNTGWYGFHYLJ-NSHDSACASA-N 1 0 380.901 2.858 20 0 GFADRO O=S(=O)(Cc1ccccc1)NCC[NH2+]Cc1cc(Br)cs1 ZINC000115846004 655242773 /nfs/dbraw/zinc/24/27/73/655242773.db2.gz YOORUCGRFDBBLP-UHFFFAOYSA-N 1 0 389.340 2.720 20 0 GFADRO CCC[N@H+](C)C[C@H]1CCN(Cc2nnnn2-c2ccccc2Br)C1 ZINC000176278791 655243350 /nfs/dbraw/zinc/24/33/50/655243350.db2.gz YFHXYMPKNXXGGS-CQSZACIVSA-N 1 0 393.333 2.589 20 0 GFADRO CN1CC[NH+](CC2CCN(C(=O)c3c(F)cccc3Br)CC2)CC1 ZINC000176587051 655250112 /nfs/dbraw/zinc/25/01/12/655250112.db2.gz YSWBXFJZNHFHJH-UHFFFAOYSA-N 1 0 398.320 2.688 20 0 GFADRO C[C@H](NC(=O)NOCc1ccc(F)cc1Br)C1=CC[N@H+](C)CC1 ZINC000275806189 655252013 /nfs/dbraw/zinc/25/20/13/655252013.db2.gz KXQJDGCGEQXJNN-NSHDSACASA-N 1 0 386.265 2.969 20 0 GFADRO O=C(C1CC[NH+]([C@H]2CCSC2)CC1)N1CC(O)(c2ccc(Cl)cc2)C1 ZINC000839759276 661105083 /nfs/dbraw/zinc/10/50/83/661105083.db2.gz MPPQVYGQJFXTJW-KRWDZBQOSA-N 1 0 380.941 2.587 20 0 GFADRO Cn1cc([C@@H](O)C[NH2+][C@H](c2cccc(Br)c2)C2CCOCC2)cn1 ZINC000276083669 655261364 /nfs/dbraw/zinc/26/13/64/655261364.db2.gz BPQUJOBRNAIGNQ-ROUUACIJSA-N 1 0 394.313 2.974 20 0 GFADRO CC[C@H](Cc1cccc(Br)c1)C(=O)NC[C@@H](C)N1CC[NH+](C)CC1 ZINC000117259881 655262443 /nfs/dbraw/zinc/26/24/43/655262443.db2.gz VQRSZBWTMWDCAH-NVXWUHKLSA-N 1 0 396.373 2.770 20 0 GFADRO COc1ccc2c(c1)[C@@H]([NH2+]C[C@@H](O)CS(=O)(=O)c1cccs1)CCS2 ZINC000276112929 655262669 /nfs/dbraw/zinc/26/26/69/655262669.db2.gz IDOXYBWKAYATIZ-DOMZBBRYSA-N 1 0 399.559 2.718 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)C(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000118112635 655271877 /nfs/dbraw/zinc/27/18/77/655271877.db2.gz KGAPHRKROGNGNI-CQSZACIVSA-N 1 0 396.329 2.933 20 0 GFADRO CC[N@H+](CCNC(=O)C(=O)Nc1c(C)cc(Br)cc1C)C(C)C ZINC000118119644 655272053 /nfs/dbraw/zinc/27/20/53/655272053.db2.gz MPQMVKDYMVCULV-UHFFFAOYSA-N 1 0 384.318 2.851 20 0 GFADRO O=C(NC1CC[NH+](Cc2ccncc2)CC1)c1cccnc1Br ZINC000177403982 655275427 /nfs/dbraw/zinc/27/54/27/655275427.db2.gz WZPAHJFOUDCVCA-UHFFFAOYSA-N 1 0 375.270 2.634 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)COc2ccc(C=O)cc2Br)C1 ZINC000177484752 655277372 /nfs/dbraw/zinc/27/73/72/655277372.db2.gz NQFITAHILKJPMC-UONOGXRCSA-N 1 0 383.286 2.629 20 0 GFADRO CCS(=O)(=O)c1c(Cl)cccc1C[NH2+][C@H](CO)Cc1ccc(F)cc1 ZINC000276596402 655280372 /nfs/dbraw/zinc/28/03/72/655280372.db2.gz AWOGLXXHURFGBW-INIZCTEOSA-N 1 0 385.888 2.966 20 0 GFADRO C[C@@H](Cc1ccc(Br)cc1)[NH2+]C[C@H]1CCn2ncc(C(N)=O)c2C1 ZINC000276750636 655286113 /nfs/dbraw/zinc/28/61/13/655286113.db2.gz KXFLDXQQRMOAJK-JSGCOSHPSA-N 1 0 391.313 2.528 20 0 GFADRO C/C(=C/c1ccc(Cl)cc1)C[NH2+]CCS(=O)(=O)NC[C@@H]1CCCCO1 ZINC000119176608 655291718 /nfs/dbraw/zinc/29/17/18/655291718.db2.gz GQTGBUNOIDVGFN-NZHZHZHDSA-N 1 0 386.945 2.821 20 0 GFADRO C[C@H](Cn1cc(Br)cn1)[NH2+]Cc1cccc(CN2CCCC2=O)c1 ZINC000177994032 655294353 /nfs/dbraw/zinc/29/43/53/655294353.db2.gz XSVGWVDUTVSFTM-CQSZACIVSA-N 1 0 391.313 2.946 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000178005915 655295064 /nfs/dbraw/zinc/29/50/64/655295064.db2.gz ZXYYPMRMPBZRGM-KGLIPLIRSA-N 1 0 382.302 2.685 20 0 GFADRO COc1cc(C[NH2+]Cc2ccc(C)c(Br)c2)ccc1OCC(N)=O ZINC000119320110 655298749 /nfs/dbraw/zinc/29/87/49/655298749.db2.gz KAUDZDVNXBUCPB-UHFFFAOYSA-N 1 0 393.281 2.920 20 0 GFADRO CN(C(=O)c1cc(F)c(F)cc1I)[C@@H]1CCC[N@H+](C)C1 ZINC000119383740 655302019 /nfs/dbraw/zinc/30/20/19/655302019.db2.gz CSNIJFXVVVPUQB-SECBINFHSA-N 1 0 394.203 2.736 20 0 GFADRO C[C@H](C(=O)NCCS(=O)(=O)c1ccc(Cl)cc1)[C@H]([NH3+])c1ccccc1 ZINC000178411305 655303118 /nfs/dbraw/zinc/30/31/18/655303118.db2.gz KWCOPIAHFIXNMH-GUYCJALGSA-N 1 0 380.897 2.566 20 0 GFADRO COc1ccsc1S(=O)(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000119463947 655304797 /nfs/dbraw/zinc/30/47/97/655304797.db2.gz JNRURBYYYMDKDU-INIZCTEOSA-N 1 0 380.535 2.600 20 0 GFADRO C[C@H]1C[C@@H]([NH2+]CCC(=O)N2CCN(C)CC2)c2cccc(Br)c21 ZINC000178673391 655307817 /nfs/dbraw/zinc/30/78/17/655307817.db2.gz TUBQYBDUZMZGOX-XJKSGUPXSA-N 1 0 380.330 2.751 20 0 GFADRO C[C@@H](C(=O)Nc1ccc(I)cc1)[N@H+](C)C[C@@H]1CCOC1 ZINC000178766522 655309638 /nfs/dbraw/zinc/30/96/38/655309638.db2.gz FYDPHZDKSQRJRJ-RYUDHWBXSA-N 1 0 388.249 2.587 20 0 GFADRO CCC[NH+]1CCC(N(C)S(=O)(=O)N(C)Cc2c(F)cccc2Cl)CC1 ZINC000119658577 655310581 /nfs/dbraw/zinc/31/05/81/655310581.db2.gz FHTMSTGKIUQOKX-UHFFFAOYSA-N 1 0 391.940 2.962 20 0 GFADRO CCCN(C(=O)c1cc(=O)[nH]c2ccc(Br)cc21)[C@H]1CC[NH2+]C1 ZINC000178909842 655310690 /nfs/dbraw/zinc/31/06/90/655310690.db2.gz BJTCHWDQBZSINV-LBPRGKRZSA-N 1 0 378.270 2.917 20 0 GFADRO CC(C)C[C@](C)(C[NH3+])NS(=O)(=O)c1cc(Br)cnc1Cl ZINC000178963614 655310883 /nfs/dbraw/zinc/31/08/83/655310883.db2.gz SWHJQKGJERDISZ-GFCCVEGCSA-N 1 0 384.727 2.539 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)C[C@H](NC(C)=O)c1ccc(Br)cc1 ZINC000119784968 655315261 /nfs/dbraw/zinc/31/52/61/655315261.db2.gz WUPLKLFCLRVTBG-SJORKVTESA-N 1 0 396.329 2.617 20 0 GFADRO C[C@H](Cn1cc(Br)cn1)[NH2+][C@H]1CCN(c2ncccc2Cl)C1 ZINC000119975746 655323607 /nfs/dbraw/zinc/32/36/07/655323607.db2.gz MCEZGRKCFGPGNA-YPMHNXCESA-N 1 0 384.709 2.951 20 0 GFADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)c1cc(Br)ccc1F ZINC000278909694 655326903 /nfs/dbraw/zinc/32/69/03/655326903.db2.gz SRIAHSKZFAJWBO-GFCCVEGCSA-N 1 0 385.277 2.914 20 0 GFADRO OC[C@H]([NH2+]CCn1cccn1)c1ccc(Br)cc1C(F)(F)F ZINC000280758890 655330507 /nfs/dbraw/zinc/33/05/07/655330507.db2.gz NZKUYIPHSKOHNX-ZDUSSCGKSA-N 1 0 378.192 2.988 20 0 GFADRO COCCC(C)(C)C[NH2+][C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000281136123 655332743 /nfs/dbraw/zinc/33/27/43/655332743.db2.gz NXFGCSWRKYTISZ-NSHDSACASA-N 1 0 393.347 2.810 20 0 GFADRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)N[C@H]1COc2cc(F)c(Br)cc21 ZINC000281798550 655337741 /nfs/dbraw/zinc/33/77/41/655337741.db2.gz FYTLRQOFZOIVMW-BONVTDFDSA-N 1 0 398.276 2.805 20 0 GFADRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)N[C@@H]1COc2cc(F)c(Br)cc21 ZINC000281798564 655337828 /nfs/dbraw/zinc/33/78/28/655337828.db2.gz FYTLRQOFZOIVMW-ZUZCIYMTSA-N 1 0 398.276 2.805 20 0 GFADRO C[C@H]1CCC[N@@H+]1C1CCN(C(=O)c2ccncc2I)CC1 ZINC000120542171 655338543 /nfs/dbraw/zinc/33/85/43/655338543.db2.gz IDYZKAQFHRBEIF-LBPRGKRZSA-N 1 0 399.276 2.775 20 0 GFADRO Cc1ccc(NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1Br ZINC000120547950 655338749 /nfs/dbraw/zinc/33/87/49/655338749.db2.gz UGTRDWWOQXSTGE-TZMCWYRMSA-N 1 0 382.302 2.637 20 0 GFADRO Cc1ccc(S(=O)(=O)N2CCC([NH2+]C[C@@H](C)c3nccs3)CC2)cc1 ZINC000120587630 655339877 /nfs/dbraw/zinc/33/98/77/655339877.db2.gz GIDBPIKSSQRGKN-OAHLLOKOSA-N 1 0 379.551 2.998 20 0 GFADRO S=c1n2cc(Br)ccc2nn1CN1CC[C@H]([NH+]2CCCC2)C1 ZINC000839987559 661122198 /nfs/dbraw/zinc/12/21/98/661122198.db2.gz QWNCHTYSUKQFHF-ZDUSSCGKSA-N 1 0 382.331 2.755 20 0 GFADRO CCC1(CC)[C@H]([NH2+]CC2CCN(S(=O)(=O)C(F)(F)F)CC2)C[C@@H]1OC ZINC000181741583 655339995 /nfs/dbraw/zinc/33/99/95/655339995.db2.gz WVZVLYXFHNARPS-KGLIPLIRSA-N 1 0 386.480 2.731 20 0 GFADRO OCCC[N@@H+](Cc1ccc(Cl)c(Cl)c1)C[C@H](O)COC1CCOCC1 ZINC000120815362 655344477 /nfs/dbraw/zinc/34/44/77/655344477.db2.gz IZKQFKJLYSLFHS-HNNXBMFYSA-N 1 0 392.323 2.734 20 0 GFADRO O=C1[C@@H](c2cccc(Br)c2)CCN1CN1CC[NH+](C2CCC2)CC1 ZINC000839997930 661123070 /nfs/dbraw/zinc/12/30/70/661123070.db2.gz OVMIATJIJXOAGG-GOSISDBHSA-N 1 0 392.341 2.893 20 0 GFADRO Cc1c(I)cccc1C(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000289269299 655345080 /nfs/dbraw/zinc/34/50/80/655345080.db2.gz OYNRYFLADAXHMS-MRXNPFEDSA-N 1 0 384.261 2.815 20 0 GFADRO COc1ccc(C(=O)NC[C@H](c2cccs2)[NH+](C)C)nc1Br ZINC000182615452 655345701 /nfs/dbraw/zinc/34/57/01/655345701.db2.gz XALAJJOWUSYPBV-LLVKDONJSA-N 1 0 384.299 2.947 20 0 GFADRO Cc1nn(Cc2ccccc2)c(Cl)c1C[NH2+]CC1CCS(=O)(=O)CC1 ZINC000120938448 655346892 /nfs/dbraw/zinc/34/68/92/655346892.db2.gz FIXMTVWUOWWQJJ-UHFFFAOYSA-N 1 0 381.929 2.808 20 0 GFADRO C[NH+](C)[C@@H]1CCCN(CN2CC[C@H](c3cccc(Br)c3)C2=O)C1 ZINC000840004171 661123620 /nfs/dbraw/zinc/12/36/20/661123620.db2.gz QGCAGZSKQAFTOD-IAGOWNOFSA-N 1 0 380.330 2.749 20 0 GFADRO O=C(Cc1cscc1Br)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000292751087 655354075 /nfs/dbraw/zinc/35/40/75/655354075.db2.gz UWWMWTRVXOUTCZ-UHFFFAOYSA-N 1 0 387.343 2.624 20 0 GFADRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)c1nn(C)cc1Br ZINC000293049878 655358838 /nfs/dbraw/zinc/35/88/38/655358838.db2.gz ADXVHHWHGPFKPR-CQSZACIVSA-N 1 0 391.313 2.919 20 0 GFADRO C[C@@H]([NH2+]C1(Cc2ccc(F)cc2Br)CCOCC1)C(=O)NC1CC1 ZINC000293612153 655359943 /nfs/dbraw/zinc/35/99/43/655359943.db2.gz PSAYHCGZQGYIHI-GFCCVEGCSA-N 1 0 399.304 2.937 20 0 GFADRO C[N@@H+]1CCC[C@@]2(CCN(CN3C(=O)c4cc(Cl)c(Cl)cc4C3=O)C2)C1 ZINC000840087673 661131041 /nfs/dbraw/zinc/13/10/41/661131041.db2.gz UEVBPQNZFCHCRE-GOSISDBHSA-N 1 0 382.291 2.965 20 0 GFADRO CC[N@@H+]1CCCN(S(=O)(=O)c2cc(Br)cnc2Cl)[C@H](C)C1 ZINC000320402062 655382198 /nfs/dbraw/zinc/38/21/98/655382198.db2.gz VJKLXQSFBDRCRB-SNVBAGLBSA-N 1 0 396.738 2.602 20 0 GFADRO CC(C)[N@@H+]1CC[C@H](CNc2cnn(CC(F)(F)F)c(=O)c2Br)C1 ZINC000322449962 655383138 /nfs/dbraw/zinc/38/31/38/655383138.db2.gz FSYOUQQJHKLMHI-SNVBAGLBSA-N 1 0 397.239 2.710 20 0 GFADRO O=C1N[C@H](c2ccc(Br)cc2)C(=O)N1C1CC[NH+](C2CC2)CC1 ZINC000349187682 655388489 /nfs/dbraw/zinc/38/84/89/655388489.db2.gz KMFFUBYCMXRWKL-OAHLLOKOSA-N 1 0 378.270 2.669 20 0 GFADRO CN(CC(=O)NCc1ccc(Cl)s1)C1CC[NH+](C2CCOCC2)CC1 ZINC000363206769 655391515 /nfs/dbraw/zinc/39/15/15/655391515.db2.gz PYZSJBVBSLOCJZ-UHFFFAOYSA-N 1 0 385.961 2.593 20 0 GFADRO C[C@H](Oc1ccc(Br)cc1)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000366194470 655399727 /nfs/dbraw/zinc/39/97/27/655399727.db2.gz HWADZJOFXITUHN-BBRMVZONSA-N 1 0 397.313 2.586 20 0 GFADRO CN(C(=O)c1nn(-c2ccc(F)cc2)cc1Br)[C@@H]1CCC[NH2+]CC1 ZINC000366681209 655400620 /nfs/dbraw/zinc/40/06/20/655400620.db2.gz QJVNJYGIPRMFGQ-CYBMUJFWSA-N 1 0 395.276 2.988 20 0 GFADRO COCC(COC)[NH+]1CCN(c2ccc3ccc(Br)cc3n2)CC1 ZINC000413480603 655402871 /nfs/dbraw/zinc/40/28/71/655402871.db2.gz RTMBLWIRIGIYQG-UHFFFAOYSA-N 1 0 394.313 2.781 20 0 GFADRO CN1CCO[C@@H]([C@H](NC(=O)c2cncc(Cl)n2)c2ccc(Cl)cc2)C1 ZINC000192376422 655404941 /nfs/dbraw/zinc/40/49/41/655404941.db2.gz SVZSEZFZJKWCGW-GDBMZVCRSA-N 1 0 381.263 2.585 20 0 GFADRO C[C@@H](NC(=O)N(C)CCOc1ccc(Br)cc1)[C@@H]1CCC[NH2+]C1 ZINC000418351876 655405730 /nfs/dbraw/zinc/40/57/30/655405730.db2.gz UKZFXRKOKKOUHI-ZIAGYGMSSA-N 1 0 384.318 2.857 20 0 GFADRO CC[C@H](c1ccc(Br)cc1)N1CCN(C(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000418343721 655405737 /nfs/dbraw/zinc/40/57/37/655405737.db2.gz APNGTPHQJHZCHW-DLBZAZTESA-N 1 0 395.345 2.589 20 0 GFADRO O=S(=O)(c1c(Cl)cccc1Br)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000420478327 655407553 /nfs/dbraw/zinc/40/75/53/655407553.db2.gz WLORNUXWEOUXAX-ZDUSSCGKSA-N 1 0 379.707 2.619 20 0 GFADRO C[C@H]1CCCC[C@@]1(C[NH3+])NS(=O)(=O)c1cc(Br)cnc1Cl ZINC000193035288 655407996 /nfs/dbraw/zinc/40/79/96/655407996.db2.gz XSYQVVRPARSDQN-ZANVPECISA-N 1 0 396.738 2.683 20 0 GFADRO COc1ccc(C[C@@H](CO)C[NH2+][C@H]2CCCc3n[nH]cc32)cc1Br ZINC000453382414 655411634 /nfs/dbraw/zinc/41/16/34/655411634.db2.gz SCCLRBCLHXOHGK-CJNGLKHVSA-N 1 0 394.313 2.999 20 0 GFADRO CN(CC[N@H+](C)C1CC1)C(=O)Nc1ccc(S(C)(=O)=O)c(C(F)F)c1 ZINC000473768415 655414510 /nfs/dbraw/zinc/41/45/10/655414510.db2.gz XNQMFTNCLAAAOM-UHFFFAOYSA-N 1 0 375.441 2.586 20 0 GFADRO CN1C(=O)CC[C@H]([NH2+]Cc2cc(Br)c(Br)s2)C1=O ZINC000227839743 655423020 /nfs/dbraw/zinc/42/30/20/655423020.db2.gz WOPFURYYLFCLPC-QMMMGPOBSA-N 1 0 396.104 2.510 20 0 GFADRO COCCNc1nn(C[N@@H+]2CC3(CCOCC3)[C@@H]3CCC[C@@H]32)c(=S)s1 ZINC000840130967 661138046 /nfs/dbraw/zinc/13/80/46/661138046.db2.gz WIVBMAKKKOSPME-KGLIPLIRSA-N 1 0 384.571 2.971 20 0 GFADRO O=S1(=O)CCC(CC[NH2+]C[C@@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000566063375 655424544 /nfs/dbraw/zinc/42/45/44/655424544.db2.gz RDLYWILRAQLLCM-CYBMUJFWSA-N 1 0 396.336 2.538 20 0 GFADRO C#CCOc1ccc(C[NH2+]CCNC(=O)c2cccc(Br)c2)cc1 ZINC000236631211 655424602 /nfs/dbraw/zinc/42/46/02/655424602.db2.gz XNIILBSQJHILSU-UHFFFAOYSA-N 1 0 387.277 2.981 20 0 GFADRO C[N@@H+]1CCC[C@H]2CN(Cn3nnn(-c4ccc(Cl)cc4)c3=S)CC[C@H]21 ZINC000247180912 655431375 /nfs/dbraw/zinc/43/13/75/655431375.db2.gz VGJLKRZONVGXJW-XJKSGUPXSA-N 1 0 378.933 2.825 20 0 GFADRO Cc1nc(C(=O)N[C@@H](CC[NH3+])C(F)F)nn1-c1c(Cl)cccc1Cl ZINC000574875513 655432689 /nfs/dbraw/zinc/43/26/89/655432689.db2.gz QQUGYRCZUCRXBV-JTQLQIEISA-N 1 0 378.210 2.595 20 0 GFADRO Cc1nc(C(=O)N[C@H](CC[NH3+])C(F)F)nn1-c1c(Cl)cccc1Cl ZINC000574875514 655432692 /nfs/dbraw/zinc/43/26/92/655432692.db2.gz QQUGYRCZUCRXBV-SNVBAGLBSA-N 1 0 378.210 2.595 20 0 GFADRO O=C1NC2(CC[NH2+]CC2)C(=O)N1Cc1cccc2c(Br)cccc12 ZINC000575057289 655434747 /nfs/dbraw/zinc/43/47/47/655434747.db2.gz OLWDVIISYXSGPX-UHFFFAOYSA-N 1 0 388.265 2.776 20 0 GFADRO C[N@H+](CCNS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C1CCCCC1 ZINC000261384190 655441298 /nfs/dbraw/zinc/44/12/98/655441298.db2.gz IMLJJWWRMPIBOA-UHFFFAOYSA-N 1 0 375.878 2.791 20 0 GFADRO [NH3+]C[C@H]1CCCC[C@@H]1NS(=O)(=O)c1c(Cl)cccc1Br ZINC000261672268 655441739 /nfs/dbraw/zinc/44/17/39/655441739.db2.gz FXRWIJJTWKBHGA-SKDRFNHKSA-N 1 0 381.723 2.898 20 0 GFADRO C[C@H](NC(=O)NCC[C@H]1CC[NH2+]C1)c1cc2c(cc1Br)OCCO2 ZINC000576091801 655443223 /nfs/dbraw/zinc/44/32/23/655443223.db2.gz UWHPDUCDMIYVCC-NWDGAFQWSA-N 1 0 398.301 2.580 20 0 GFADRO COc1ccc(C(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)c(I)c1 ZINC000576148091 655444403 /nfs/dbraw/zinc/44/44/03/655444403.db2.gz BEAHRHVBNJLOOR-MNOVXSKESA-N 1 0 388.249 2.547 20 0 GFADRO [NH3+]C1CCC(NC(=O)c2ccc(I)cc2Cl)CC1 ZINC000262553237 655446192 /nfs/dbraw/zinc/44/61/92/655446192.db2.gz UDEJMVIOEYXCJP-UHFFFAOYSA-N 1 0 378.641 2.944 20 0 GFADRO Cc1ccc([C@@H]([NH3+])C(=O)NC[C@H](O)COc2cccc(Cl)c2Cl)cc1 ZINC000262626364 655446423 /nfs/dbraw/zinc/44/64/23/655446423.db2.gz GAIYKZONKNBNFA-SUMWQHHRSA-N 1 0 383.275 2.858 20 0 GFADRO CCc1nn(C)c(OC)c1C[NH2+]C[C@H](O)COc1ccc(Cl)cc1Cl ZINC000576864252 655453365 /nfs/dbraw/zinc/45/33/65/655453365.db2.gz QRJQVXHCGJMFAV-LBPRGKRZSA-N 1 0 388.295 2.827 20 0 GFADRO C[NH+](C)[C@H]1CCCN(C(=O)C(=O)N[C@H]2CCSc3ccc(Cl)cc32)C1 ZINC000576894478 655454143 /nfs/dbraw/zinc/45/41/43/655454143.db2.gz NKUNVKTXVICCDT-ZFWWWQNUSA-N 1 0 381.929 2.546 20 0 GFADRO CCS(=O)(=O)c1ccc(CC(=O)NC[C@@H](c2ccsc2)[NH+](C)C)cc1 ZINC000263990852 655455672 /nfs/dbraw/zinc/45/56/72/655455672.db2.gz HSMKNQPWGWJXNZ-KRWDZBQOSA-N 1 0 380.535 2.503 20 0 GFADRO O=C(NCC[C@@H]1CCC[NH2+]C1)Nc1ccn(-c2ccc(Br)cc2)n1 ZINC000577473217 655460420 /nfs/dbraw/zinc/46/04/20/655460420.db2.gz OGNUHMLDNCQKRS-ZDUSSCGKSA-N 1 0 392.301 3.146 20 0 GFADRO CCOc1ccc(Br)cc1C[N@H+](C[C@](C)(O)C(=O)OC)C1CC1 ZINC000577655741 655463789 /nfs/dbraw/zinc/46/37/89/655463789.db2.gz WVXBRULXXZTUNV-KRWDZBQOSA-N 1 0 386.286 2.736 20 0 GFADRO C[N@@H+]1CCCC[C@@H]1CN1CCN(C[C@@H](O)c2ccc(Br)cc2)CC1 ZINC000264602920 655466914 /nfs/dbraw/zinc/46/69/14/655466914.db2.gz KLXWNKLILVOMEE-RTBURBONSA-N 1 0 396.373 2.584 20 0 GFADRO O[C@H](C[NH2+]CCc1ccc(Br)cc1)COc1ccc2c(c1)OCO2 ZINC000577842335 655468130 /nfs/dbraw/zinc/46/81/30/655468130.db2.gz RNPCUYVVPMBPRF-OAHLLOKOSA-N 1 0 394.265 2.750 20 0 GFADRO C[C@H](COCC(F)(F)F)[NH2+]C[C@H](O)COc1cccc(Br)c1 ZINC000577859876 655468647 /nfs/dbraw/zinc/46/86/47/655468647.db2.gz KTRSWGODZKLCAC-PWSUYJOCSA-N 1 0 386.208 2.746 20 0 GFADRO CCO[C@H]1C[C@@H]([NH2+]C[C@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000578006537 655470999 /nfs/dbraw/zinc/47/09/99/655470999.db2.gz IQZXUINJGTYNSQ-RWMBFGLXSA-N 1 0 378.694 2.999 20 0 GFADRO Cc1cc(Br)c(O)c(NC(=O)[C@]2([NH3+])[C@@H]3CCCO[C@@H]3C2(C)C)c1 ZINC000578235157 655474746 /nfs/dbraw/zinc/47/47/46/655474746.db2.gz MEKIHFHGJNWTCI-OVWKYPIYSA-N 1 0 383.286 2.934 20 0 GFADRO [NH3+]C[C@H]1CCCC[C@@]12NC(=O)N(Cc1ccc(Br)c(F)c1)C2=O ZINC000578320420 655476607 /nfs/dbraw/zinc/47/66/07/655476607.db2.gz SSTOPJJVYVNKGD-BDJLRTHQSA-N 1 0 384.249 2.528 20 0 GFADRO CC[NH+]1CCC(CNc2ncnc3cccc(I)c32)CC1 ZINC000578381873 655477593 /nfs/dbraw/zinc/47/75/93/655477593.db2.gz ZEQINENCCJDAAV-UHFFFAOYSA-N 1 0 396.276 3.378 20 0 GFADRO CCCC[N@H+](C)CCNC(=O)N(C)C[C@@H](O)c1cccc(Br)c1 ZINC000840294409 661151974 /nfs/dbraw/zinc/15/19/74/661151974.db2.gz IUTZKNIBHRMVRP-MRXNPFEDSA-N 1 0 386.334 2.856 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+][C@H]2CCOC3(CCSCC3)C2)cc1Cl ZINC000578485510 655480192 /nfs/dbraw/zinc/48/01/92/655480192.db2.gz WHXVCGFNVBZTGB-ZDUSSCGKSA-N 1 0 390.958 2.522 20 0 GFADRO C[C@@H](NC(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1)c1ncc(Br)cn1 ZINC000578495118 655480268 /nfs/dbraw/zinc/48/02/68/655480268.db2.gz XNJSUYWLGLWTTG-NEPJUHHUSA-N 1 0 384.322 2.672 20 0 GFADRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)N[C@@H](C)c1ncc(Br)cn1 ZINC000578495119 655480326 /nfs/dbraw/zinc/48/03/26/655480326.db2.gz XNJSUYWLGLWTTG-NWDGAFQWSA-N 1 0 384.322 2.672 20 0 GFADRO O[C@H](C[NH2+]CC1(c2ccc(Cl)cc2Cl)CCOCC1)Cn1cccn1 ZINC000578499155 655480424 /nfs/dbraw/zinc/48/04/24/655480424.db2.gz PYSVRZWZXXAPAD-OAHLLOKOSA-N 1 0 384.307 2.889 20 0 GFADRO CC(C)(C)[C@H](C[NH3+])NC(=O)CCC[S@](=O)c1ccc(Br)cc1 ZINC000578497997 655480445 /nfs/dbraw/zinc/48/04/45/655480445.db2.gz WOWPTDQAMWTJAK-FPTDNZKUSA-N 1 0 389.359 2.827 20 0 GFADRO CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3cc4c(c(Br)c3)OCO4)[C@H]2C1 ZINC000578672592 655484463 /nfs/dbraw/zinc/48/44/63/655484463.db2.gz MXHPKMSPAWUDRD-OFQRWUPVSA-N 1 0 395.297 2.914 20 0 GFADRO COC(=O)c1sc2ccccc2c1S(=O)(=O)N1CCCC[C@H]1CC[NH3+] ZINC000578769035 655486595 /nfs/dbraw/zinc/48/65/95/655486595.db2.gz IFGIZFVAHWGCII-LBPRGKRZSA-N 1 0 382.507 2.580 20 0 GFADRO Cc1nn(C)c(-n2ccnc2C)c1C(=O)Nc1cc(Br)cnc1C ZINC000578840087 655487492 /nfs/dbraw/zinc/48/74/92/655487492.db2.gz XJNLULQHMZTUGJ-UHFFFAOYSA-N 1 0 389.257 2.941 20 0 GFADRO COCCC[NH+]1CCC(Nc2ncccc2I)CC1 ZINC000265843336 655491810 /nfs/dbraw/zinc/49/18/10/655491810.db2.gz OERYSUNHTHZORI-UHFFFAOYSA-N 1 0 375.254 2.599 20 0 GFADRO COC[C@@H](CCO)[NH2+]Cc1c(C)nn(-c2ccc(Br)cc2)c1C ZINC000265815669 655491228 /nfs/dbraw/zinc/49/12/28/655491228.db2.gz WNCHYQXASOSRIT-OAHLLOKOSA-N 1 0 382.302 2.739 20 0 GFADRO O[C@H](C[NH2+]CCc1ccccc1Br)COc1ccc2c(c1)OCO2 ZINC000579110605 655494198 /nfs/dbraw/zinc/49/41/98/655494198.db2.gz CHBURQFFHCRSJW-CQSZACIVSA-N 1 0 394.265 2.750 20 0 GFADRO C[C@H](CCC[NH3+])NS(=O)(=O)c1cc(C(F)(F)F)ccc1Br ZINC000579238688 655496394 /nfs/dbraw/zinc/49/63/94/655496394.db2.gz SCAQITFKDMLSIH-MRVPVSSYSA-N 1 0 389.237 2.874 20 0 GFADRO C[C@H](CNC(=O)N(C)C[C@H](O)c1cccc(Br)c1)C[NH+]1CCCC1 ZINC000840259027 661150139 /nfs/dbraw/zinc/15/01/39/661150139.db2.gz BEDIIXQQRPTFJY-PBHICJAKSA-N 1 0 398.345 2.856 20 0 GFADRO O=C(CC[NH2+]C[C@H](CO)Cc1cccnc1)Nc1ccc(Br)cc1 ZINC000579354378 655498205 /nfs/dbraw/zinc/49/82/05/655498205.db2.gz VTBHCPHHTYOHRB-OAHLLOKOSA-N 1 0 392.297 2.614 20 0 GFADRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)Nc3cnn(-c4ncc(Cl)cc4Cl)c3)C[C@H]12 ZINC000579448737 655499866 /nfs/dbraw/zinc/49/98/66/655499866.db2.gz PPLFSBFOPQUGRT-LJWDBELGSA-N 1 0 381.267 2.775 20 0 GFADRO OC[C@H]([NH2+]Cc1ncc(-c2ccccc2Br)o1)C1CCOCC1 ZINC000579513087 655500766 /nfs/dbraw/zinc/50/07/66/655500766.db2.gz HGIQXSLSEKXBJI-HNNXBMFYSA-N 1 0 381.270 2.981 20 0 GFADRO C[C@H](NC(=O)NCC[NH+]1[C@@H](C)CCC[C@@H]1C)c1ncc(Br)cn1 ZINC000579579028 655501662 /nfs/dbraw/zinc/50/16/62/655501662.db2.gz VPOKFCXJNCTABF-AVGNSLFASA-N 1 0 384.322 2.862 20 0 GFADRO O[C@@H]1C[C@@H]([C@@H]2CCCOC2)[N@H+](Cc2nc3ccc(Br)cc3o2)C1 ZINC000579798636 655504174 /nfs/dbraw/zinc/50/41/74/655504174.db2.gz ZPAMPZVFMHKFRH-KYOSRNDESA-N 1 0 381.270 2.952 20 0 GFADRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(Cc2cc(Cl)cc(S(N)(=O)=O)c2)C1 ZINC000579839428 655504638 /nfs/dbraw/zinc/50/46/38/655504638.db2.gz WYOHVDHUIPZHEU-JKIFEVAISA-N 1 0 385.961 2.825 20 0 GFADRO O[C@H](C[NH2+]CCc1cn2c(n1)SCC2)COc1ccc(Cl)cc1Cl ZINC000579944829 655505900 /nfs/dbraw/zinc/50/59/00/655505900.db2.gz JOCBUFZKALNSHZ-CYBMUJFWSA-N 1 0 388.320 2.868 20 0 GFADRO C[C@@H]([NH2+]C[C@@H]1CCCCN1S(=O)(=O)N(C)C)c1ccc(F)c(Cl)c1 ZINC000579998130 655506442 /nfs/dbraw/zinc/50/64/42/655506442.db2.gz NPMMZKZXZRIJGG-OCCSQVGLSA-N 1 0 377.913 2.791 20 0 GFADRO CC(C)[N@H+](C)C[C@H](C)NC(=O)COc1ccc(I)cc1 ZINC000580016715 655506800 /nfs/dbraw/zinc/50/68/00/655506800.db2.gz XNATUIPTKHUHIR-LBPRGKRZSA-N 1 0 390.265 2.515 20 0 GFADRO C[C@H](O)C[NH+]1CCN(Cc2cc(C(F)(F)F)ccc2Br)CC1 ZINC000580139602 655508869 /nfs/dbraw/zinc/50/88/69/655508869.db2.gz DJWTXTQGFLKVND-NSHDSACASA-N 1 0 381.236 2.966 20 0 GFADRO O=C(c1cn(C2CC[NH2+]CC2)nn1)N1CCc2c(Cl)cc(Cl)cc2C1 ZINC000580189261 655509724 /nfs/dbraw/zinc/50/97/24/655509724.db2.gz KVXFBPUHFGGULI-UHFFFAOYSA-N 1 0 380.279 2.708 20 0 GFADRO COCCO[C@@H]1CCCN(Cc2cccc(I)c2)C1 ZINC000580339829 655511286 /nfs/dbraw/zinc/51/12/86/655511286.db2.gz GVSOAOKSFIHEIJ-OAHLLOKOSA-N 1 0 375.250 2.919 20 0 GFADRO Cn1nc(Br)cc1C[NH2+]CC12CC(C1)CN2C(=O)OC(C)(C)C ZINC000701856770 655521593 /nfs/dbraw/zinc/52/15/93/655521593.db2.gz YOAAVXBGWNTUJZ-UHFFFAOYSA-N 1 0 385.306 2.672 20 0 GFADRO CC(C)[C@H](C[NH2+]Cc1cn(C)nc1Br)NC(=O)OC(C)(C)C ZINC000712459066 655522679 /nfs/dbraw/zinc/52/26/79/655522679.db2.gz JMVNFMRWTCBFBK-LBPRGKRZSA-N 1 0 375.311 2.822 20 0 GFADRO Cc1nc(CNC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)sc1Br ZINC000719291492 655524222 /nfs/dbraw/zinc/52/42/22/655524222.db2.gz FAPQCXVBWKYEFR-KRWDZBQOSA-N 1 0 396.354 2.941 20 0 GFADRO Cc1nc(CNC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)sc1Br ZINC000719291497 655524246 /nfs/dbraw/zinc/52/42/46/655524246.db2.gz FAPQCXVBWKYEFR-QGZVFWFLSA-N 1 0 396.354 2.941 20 0 GFADRO CC(C)(C)OC(=O)NC[C@@H]1CC[C@H]([NH2+]CCn2cc(Br)cn2)C1 ZINC000724084920 655525662 /nfs/dbraw/zinc/52/56/62/655525662.db2.gz UNPISLIBGTXCRA-OCCSQVGLSA-N 1 0 387.322 2.929 20 0 GFADRO C[C@@H](CC[NH+](C)C)NC(=O)N1CCO[C@@H](c2ccccc2Br)C1 ZINC000726245882 655532347 /nfs/dbraw/zinc/53/23/47/655532347.db2.gz CDBDFWLXTSZGTH-XJKSGUPXSA-N 1 0 384.318 2.872 20 0 GFADRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)c2sc3ccccc3c2Cl)C1 ZINC000726863249 655539277 /nfs/dbraw/zinc/53/92/77/655539277.db2.gz CRVOFXSPSIWNTQ-LBPRGKRZSA-N 1 0 379.913 2.872 20 0 GFADRO COCCC[NH+]1CCC(NC(=O)c2sc(N3CCCC3)nc2Cl)CC1 ZINC000726984508 655540493 /nfs/dbraw/zinc/54/04/93/655540493.db2.gz WLRDQCCQPSESCB-UHFFFAOYSA-N 1 0 386.949 2.627 20 0 GFADRO C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=S)NCC(C)(C)C[NH+](C)C ZINC000727070545 655541263 /nfs/dbraw/zinc/54/12/63/655541263.db2.gz HXUZBFBREQTDHS-CQSZACIVSA-N 1 0 385.599 2.545 20 0 GFADRO O[C@H](C[NH2+]C[C@@H](O)c1ccc(Br)cc1)COc1ccc(F)cc1 ZINC000728942808 655560438 /nfs/dbraw/zinc/56/04/38/655560438.db2.gz QDYSWFFXAZSNLV-NVXWUHKLSA-N 1 0 384.245 2.651 20 0 GFADRO O=S(=O)(/C=C\c1ccc(Cl)cc1)NCC1([NH+]2CCCC2)CCOCC1 ZINC000729492376 655565192 /nfs/dbraw/zinc/56/51/92/655565192.db2.gz FBOHROKZZNPFDP-AUWJEWJLSA-N 1 0 384.929 2.875 20 0 GFADRO O=C(NCCOc1cccc(Cl)c1Cl)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000729498570 655565361 /nfs/dbraw/zinc/56/53/61/655565361.db2.gz RGOGPBQRUPQAJX-CHWSQXEVSA-N 1 0 388.295 2.535 20 0 GFADRO Cc1cc(Br)cc(C)c1CNC(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000729500372 655565626 /nfs/dbraw/zinc/56/56/26/655565626.db2.gz XMEXATHPHZLQNB-CVEARBPZSA-N 1 0 396.329 2.728 20 0 GFADRO CC(C)[C@H](C[NH+](C)C)NC(=O)c1ccc(I)c(F)c1 ZINC000729625249 655566138 /nfs/dbraw/zinc/56/61/38/655566138.db2.gz FDVFOQPEHJXHNB-ZDUSSCGKSA-N 1 0 378.229 2.746 20 0 GFADRO Brc1ccc2c(c1)C=C(CNC[C@H]1C[N@@H+]3CCC[C@@H]3CO1)CO2 ZINC000729683078 655566688 /nfs/dbraw/zinc/56/66/88/655566688.db2.gz BBZSDSPWDLEKIA-SJORKVTESA-N 1 0 379.298 2.678 20 0 GFADRO COC1CC[NH+](C2(CNC(=O)NCCSC(F)(F)F)CCCC2)CC1 ZINC000730900903 655579381 /nfs/dbraw/zinc/57/93/81/655579381.db2.gz GIFWDGZEVVBCEJ-UHFFFAOYSA-N 1 0 383.480 2.962 20 0 GFADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)c2sccc2SC(F)F)CC1 ZINC000731480409 655583818 /nfs/dbraw/zinc/58/38/18/655583818.db2.gz FXSJBINTVROBGB-UHFFFAOYSA-N 1 0 391.509 2.735 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CNC(=S)NC[C@@H](O)c1ccc(Cl)cc1Cl ZINC000731946737 655589960 /nfs/dbraw/zinc/58/99/60/655589960.db2.gz VPBOFUMKKQTBIN-IUODEOHRSA-N 1 0 376.353 2.975 20 0 GFADRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cn(-c2ccccc2Br)nn1 ZINC000732140194 655592243 /nfs/dbraw/zinc/59/22/43/655592243.db2.gz YIKCMIUXOJIYJO-CYBMUJFWSA-N 1 0 392.301 2.634 20 0 GFADRO O=C([C@H]1CCC[N@@H+](C[C@@H](O)c2cccc(Br)c2)C1)N1CCCC1 ZINC000732412313 655596275 /nfs/dbraw/zinc/59/62/75/655596275.db2.gz HYOFYOPRGLFPKA-DOTOQJQBSA-N 1 0 381.314 2.817 20 0 GFADRO O=C([C@H]1CCC[N@@H+](C[C@H](O)c2ccc(Br)cc2)C1)N1CCCC1 ZINC000732412343 655596414 /nfs/dbraw/zinc/59/64/14/655596414.db2.gz JKVJLJRPXKJHBH-RDJZCZTQSA-N 1 0 381.314 2.817 20 0 GFADRO CC(C)[C@H](C[NH+](C)C)NC(=O)[C@@H]1CCN(c2ccccc2Br)C1=O ZINC000733166018 655608521 /nfs/dbraw/zinc/60/85/21/655608521.db2.gz NNISQCDTDVTGFP-ZFWWWQNUSA-N 1 0 396.329 2.504 20 0 GFADRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)CN1C(=S)N=NC1c1cccs1 ZINC000733274071 655611201 /nfs/dbraw/zinc/61/12/01/655611201.db2.gz QYDIEJTWVVQCEC-ZDUSSCGKSA-N 1 0 379.555 2.676 20 0 GFADRO C[NH+](C)CCNC(=O)c1cccc(CNCc2occc2Br)c1 ZINC000735323081 655645278 /nfs/dbraw/zinc/64/52/78/655645278.db2.gz QDVJMNDXBORMFA-UHFFFAOYSA-N 1 0 380.286 2.623 20 0 GFADRO O=C(NCC[NH+]1CCCC1)C(=O)Nc1cccc(Cl)c1SC(F)F ZINC000735590510 655649260 /nfs/dbraw/zinc/64/92/60/655649260.db2.gz GSCSYPLKYMFBFU-UHFFFAOYSA-N 1 0 377.844 2.805 20 0 GFADRO C[C@H](CN1CC[NH+](C)CC1)NC(=S)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000735627897 655650125 /nfs/dbraw/zinc/65/01/25/655650125.db2.gz LARMCBMBZYMSPW-LLVKDONJSA-N 1 0 392.903 2.864 20 0 GFADRO COC[C@@H](NC(=S)NC1CC[NH+](C)CC1)c1cccc(C(F)(F)F)c1 ZINC000735627643 655650148 /nfs/dbraw/zinc/65/01/48/655650148.db2.gz XXKBOVJSBKECDE-OAHLLOKOSA-N 1 0 375.460 2.951 20 0 GFADRO CCC[N@H+](Cn1cc(I)cn1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000740859906 655699872 /nfs/dbraw/zinc/69/98/72/655699872.db2.gz VTRRUGMDWRPVRV-MCIONIFRSA-N 1 0 389.281 2.971 20 0 GFADRO CN1CCC(CNC(=S)Nc2ccc(Cl)nc2)([NH+]2CCCCC2)CC1 ZINC000741873538 655708793 /nfs/dbraw/zinc/70/87/93/655708793.db2.gz FBKGSZSXSMJGDY-UHFFFAOYSA-N 1 0 381.977 2.972 20 0 GFADRO COc1ccc2nc(Cl)ccc2c1S(=O)(=O)N(C)[C@H]1CCC[N@H+](C)C1 ZINC000742308991 655715166 /nfs/dbraw/zinc/71/51/66/655715166.db2.gz OCTZGYUDCIKVCW-LBPRGKRZSA-N 1 0 383.901 2.612 20 0 GFADRO Cc1n[nH]c(C(=O)N2CC[C@@H]([N@H+](C)Cc3ccccc3)C2)c1Br ZINC000742789711 655721945 /nfs/dbraw/zinc/72/19/45/655721945.db2.gz AQCRGEUJMXYLSU-CQSZACIVSA-N 1 0 377.286 2.827 20 0 GFADRO C[C@H](c1ccc(Br)cc1)N1CCN(C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000743273420 655727636 /nfs/dbraw/zinc/72/76/36/655727636.db2.gz UNZGJFZVMQYVGT-VQIMIIECSA-N 1 0 396.373 2.584 20 0 GFADRO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NCc1ccc(Br)cc1F ZINC000743363146 655728222 /nfs/dbraw/zinc/72/82/22/655728222.db2.gz SAVDACDSSNGVTF-MRXNPFEDSA-N 1 0 387.293 2.998 20 0 GFADRO CC(C)[C@@H](C[NH+](C)C)NC(=O)CNC(=O)c1sc2ccccc2c1Cl ZINC000743587893 655730099 /nfs/dbraw/zinc/73/00/99/655730099.db2.gz UAKIBNMERJVAOF-CYBMUJFWSA-N 1 0 381.929 2.987 20 0 GFADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]CCc1ccccc1C ZINC000743671203 655730675 /nfs/dbraw/zinc/73/06/75/655730675.db2.gz KYLYAFSPJFPEEJ-MRXNPFEDSA-N 1 0 381.929 2.845 20 0 GFADRO CC[N@H+](CCc1ccccn1)Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000744200235 655736338 /nfs/dbraw/zinc/73/63/38/655736338.db2.gz IUCVSFUDAHZDIF-UHFFFAOYSA-N 1 0 387.281 2.917 20 0 GFADRO C[C@H]1CCC[N@@H+]1CCNC(=O)C1CCN(C(=O)c2ccc(Cl)s2)CC1 ZINC000744345228 655739285 /nfs/dbraw/zinc/73/92/85/655739285.db2.gz LOPWKRROPIESNC-ZDUSSCGKSA-N 1 0 383.945 2.854 20 0 GFADRO CCO[C@H](CC[NH2+]Cc1c(C)nn([C@H]2CCS(=O)(=O)C2)c1Cl)C(C)C ZINC000746052886 655757961 /nfs/dbraw/zinc/75/79/61/655757961.db2.gz BGKRDACTKTUVNG-GOEBONIOSA-N 1 0 391.965 2.745 20 0 GFADRO CC[NH+]1CCN(CC(=O)N2CCC[C@H]2Cc2ccc(Br)cc2)CC1 ZINC000746164718 655758759 /nfs/dbraw/zinc/75/87/59/655758759.db2.gz HMHJIQVCJXGQJE-SFHVURJKSA-N 1 0 394.357 2.620 20 0 GFADRO C[NH+]1CCC(NC(=S)NCCc2cnc(SC3CCCC3)nc2)CC1 ZINC000840762575 661184514 /nfs/dbraw/zinc/18/45/14/661184514.db2.gz PXBZUKVLWKJXJT-UHFFFAOYSA-N 1 0 379.599 2.612 20 0 GFADRO O=C(CCSc1ccc(Br)cc1)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000747229861 655774443 /nfs/dbraw/zinc/77/44/43/655774443.db2.gz MJROJCHWQPIHQS-HUUCEWRRSA-N 1 0 399.354 2.911 20 0 GFADRO COC(=O)c1cc(S(=O)(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)c(Cl)cc1Cl ZINC000747280262 655775981 /nfs/dbraw/zinc/77/59/81/655775981.db2.gz XIJCCJJIGMOCRO-ZJUUUORDSA-N 1 0 395.308 2.541 20 0 GFADRO C[NH+](C)CCNC(=O)c1ccc(NC(=O)c2ccc(Cl)nc2Cl)cc1 ZINC000747639247 655780943 /nfs/dbraw/zinc/78/09/43/655780943.db2.gz FURKDGNZZVKUDG-UHFFFAOYSA-N 1 0 381.263 2.932 20 0 GFADRO C[NH+](C)CCCCCOC(=O)c1ccc(Br)c(S(C)(=O)=O)c1 ZINC000747768911 655783282 /nfs/dbraw/zinc/78/32/82/655783282.db2.gz PEZJWJJEZQAIKC-UHFFFAOYSA-N 1 0 392.315 2.741 20 0 GFADRO CCN(C[C@H]1CCN(C(=S)NC[C@@H]2CCC[N@@H+]2CC)C1)CC(F)(F)F ZINC000748084495 655787220 /nfs/dbraw/zinc/78/72/20/655787220.db2.gz IWRPODYVIRDSGT-CABCVRRESA-N 1 0 380.524 2.551 20 0 GFADRO CCc1c(Cl)nc(CS(C)(=O)=O)nc1NC[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000749091742 655799734 /nfs/dbraw/zinc/79/97/34/655799734.db2.gz IGOIEJGRLOBRKD-CHWSQXEVSA-N 1 0 388.965 2.769 20 0 GFADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]CCc1cccc(C)c1 ZINC000749263254 655802338 /nfs/dbraw/zinc/80/23/38/655802338.db2.gz GCJUAOSMYBSQJR-MRXNPFEDSA-N 1 0 381.929 2.845 20 0 GFADRO S=c1n(Cc2cccs2)nnn1CN1CCC([NH+]2CCCCC2)CC1 ZINC000749660635 655806342 /nfs/dbraw/zinc/80/63/42/655806342.db2.gz DMSXLRYDKJORHP-UHFFFAOYSA-N 1 0 378.571 2.827 20 0 GFADRO O=c1scc(C(F)(F)F)n1CN1CC[NH+](CCc2cccs2)CC1 ZINC000749946939 655809309 /nfs/dbraw/zinc/80/93/09/655809309.db2.gz VJJFIQGBTWZYFX-UHFFFAOYSA-N 1 0 377.457 2.808 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CNCc1ccc(C(=O)N(C)C)[nH]1 ZINC000752260758 655841871 /nfs/dbraw/zinc/84/18/71/655841871.db2.gz YSFPYWRVLZNVQY-UHFFFAOYSA-N 1 0 393.285 2.516 20 0 GFADRO CN(C)c1cc[nH+]c(NC(=O)/C=C\c2ccc(I)o2)c1 ZINC000753003419 655849132 /nfs/dbraw/zinc/84/91/32/655849132.db2.gz FTGAOEYMBZEOKM-XQRVVYSFSA-N 1 0 383.189 2.997 20 0 GFADRO OC[C@@H](C[C@H](O)c1ccccc1)[NH2+]Cc1cnc2ccc(Br)cn12 ZINC000754079964 655863417 /nfs/dbraw/zinc/86/34/17/655863417.db2.gz MQWKCUJUNCGCQE-WBVHZDCISA-N 1 0 390.281 2.671 20 0 GFADRO C[NH+](C)[C@]1(CNC(=O)Nc2ccc([S@@](=O)C(F)(F)F)cc2)CCSC1 ZINC000754449887 655867853 /nfs/dbraw/zinc/86/78/53/655867853.db2.gz HGWUAULBYOUEKY-HWRSSNJWSA-N 1 0 395.472 2.873 20 0 GFADRO CC[NH+](CC)C[C@H]1CCN(Cn2nc(Br)c(=O)c3ccccc32)C1 ZINC000755749157 655888402 /nfs/dbraw/zinc/88/84/02/655888402.db2.gz GBIQXDVKCKBHBT-CQSZACIVSA-N 1 0 393.329 2.780 20 0 GFADRO O=c1c(Br)nn(C[N@@H+]2CCC[C@@H]3COCC[C@@H]32)c2ccccc12 ZINC000755755062 655888555 /nfs/dbraw/zinc/88/85/55/655888555.db2.gz XLKSZIWPCMZZSX-OCCSQVGLSA-N 1 0 378.270 2.617 20 0 GFADRO COC(=O)[C@@H]1C[N@H+](Cn2nc(-c3ccc(Br)cc3)nc2C)C[C@H]1C ZINC000755925773 655891427 /nfs/dbraw/zinc/89/14/27/655891427.db2.gz QGUMVQJCBYHFQH-IAQYHMDHSA-N 1 0 393.285 2.714 20 0 GFADRO CC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CC(Br)=NN2c2ccc(C)cc2)C1 ZINC000756099645 655894832 /nfs/dbraw/zinc/89/48/32/655894832.db2.gz QMMRZLVAQYDINF-GOEBONIOSA-N 1 0 393.329 2.740 20 0 GFADRO C[C@H]1CCC[N@@H+]1CCNS(=O)(=O)c1ccc(Cl)c(Br)c1 ZINC000758159162 655924471 /nfs/dbraw/zinc/92/44/71/655924471.db2.gz IZYRUJATZXJBEN-JTQLQIEISA-N 1 0 381.723 2.865 20 0 GFADRO Cn1nc(Br)cc1C(=O)N(CC[NH+]1CCCC1)c1ccccc1 ZINC000758437629 655932789 /nfs/dbraw/zinc/93/27/89/655932789.db2.gz KFTVVWPGKTZLSS-UHFFFAOYSA-N 1 0 377.286 2.925 20 0 GFADRO COc1ccc(OC)c([C@H](O)C[N@H+](C)Cc2cc(Br)cn2C)c1 ZINC000758825377 655941923 /nfs/dbraw/zinc/94/19/23/655941923.db2.gz JGHSXCMVGGKOAI-MRXNPFEDSA-N 1 0 383.286 2.970 20 0 GFADRO COCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](C[C@@H](O)c2ccc(Cl)cc2Cl)C1 ZINC000759127671 655948352 /nfs/dbraw/zinc/94/83/52/655948352.db2.gz CSOQNYVWBXWIKJ-PBFPGSCMSA-N 1 0 389.323 2.890 20 0 GFADRO CNC(=O)CCOC1CC[NH+](C[C@@H](O)c2ccc(Cl)cc2Cl)CC1 ZINC000759166952 655949674 /nfs/dbraw/zinc/94/96/74/655949674.db2.gz UZMZDUFAUBCUQP-MRXNPFEDSA-N 1 0 375.296 2.644 20 0 GFADRO Cn1nc(Br)cc1C(=O)OCC1CC[NH+](Cc2ccco2)CC1 ZINC000759598622 655957963 /nfs/dbraw/zinc/95/79/63/655957963.db2.gz LAXGFBBHABZASD-UHFFFAOYSA-N 1 0 382.258 2.845 20 0 GFADRO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(C(=O)c2cc(Cl)cs2)CC1 ZINC000760148553 655970366 /nfs/dbraw/zinc/97/03/66/655970366.db2.gz OGSOWMQETHNWCV-UHFFFAOYSA-N 1 0 385.961 2.958 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)c2cnn(C)c2Br)C1 ZINC000760277078 655974278 /nfs/dbraw/zinc/97/42/78/655974278.db2.gz XIFRYYVRPZNQOQ-ZIAGYGMSSA-N 1 0 383.334 2.909 20 0 GFADRO CC(C)[C@H](C[NH+](C)C)NC(=O)c1cnn(-c2ccccc2)c1Br ZINC000760306466 655975387 /nfs/dbraw/zinc/97/53/87/655975387.db2.gz DQEGGJCEBHZHRS-HNNXBMFYSA-N 1 0 379.302 2.951 20 0 GFADRO Cn1ncc(C(=O)N2CCC(CCC[NH+]3CCCC3)CC2)c1Br ZINC000760407006 655979161 /nfs/dbraw/zinc/97/91/61/655979161.db2.gz BILUKBMDFYSGKG-UHFFFAOYSA-N 1 0 383.334 2.911 20 0 GFADRO C[NH+]1CCC(CNC(=S)N2CCN(Cc3cccc(Cl)c3)CC2)CC1 ZINC000760462392 655981558 /nfs/dbraw/zinc/98/15/58/655981558.db2.gz IBLAOULUOUZIIA-UHFFFAOYSA-N 1 0 380.989 2.674 20 0 GFADRO C[NH+]1CCC(CNC(=S)NCc2ccccc2OCC(F)(F)F)CC1 ZINC000760479100 655982109 /nfs/dbraw/zinc/98/21/09/655982109.db2.gz OUTLCWXQAPXWTN-UHFFFAOYSA-N 1 0 375.460 2.934 20 0 GFADRO CC[N@H+](CCC1CC1)CN1C(=O)C(=O)N(c2ccc(Br)cc2)C1=O ZINC000760537141 655984090 /nfs/dbraw/zinc/98/40/90/655984090.db2.gz BSHVFIWDWSBIGQ-UHFFFAOYSA-N 1 0 394.269 2.824 20 0 GFADRO CC(C)S(=O)(=O)CC[NH2+][C@@]1(CNC(=O)OC(C)(C)C)CCCC[C@H]1C ZINC000760858014 655993809 /nfs/dbraw/zinc/99/38/09/655993809.db2.gz VIYXKSTWHNVMJQ-CRAIPNDOSA-N 1 0 376.563 2.873 20 0 GFADRO C[C@@]1(c2cccc(Br)c2)NC(=O)N(C[C@H]2CC[N@@H+](C3CC3)C2)C1=O ZINC000761088711 655998152 /nfs/dbraw/zinc/99/81/52/655998152.db2.gz VNYPYZODGSIRNU-SGTLLEGYSA-N 1 0 392.297 2.700 20 0 GFADRO C[C@@H](CN1C(=O)N[C@](C)(c2cccc(Br)c2)C1=O)C[NH+]1CCCC1 ZINC000761102794 655998426 /nfs/dbraw/zinc/99/84/26/655998426.db2.gz ZOSDUGJEKVUEDV-FZKQIMNGSA-N 1 0 394.313 2.948 20 0 GFADRO CC(C)[C@@H](SCC[NH+](C(C)C)C(C)C)C(=O)N[C@]1(C)CCS(=O)(=O)C1 ZINC000762199029 656035900 /nfs/dbraw/zinc/03/59/00/656035900.db2.gz MLUFLHGTQHFCQS-SJLPKXTDSA-N 1 0 392.631 2.556 20 0 GFADRO CC(C)[C@H](C[NH+](C)C)NC(=O)c1cc(I)ccc1F ZINC000762216277 656036438 /nfs/dbraw/zinc/03/64/38/656036438.db2.gz SQPCNQLOEJYVAF-ZDUSSCGKSA-N 1 0 378.229 2.746 20 0 GFADRO O=C(NCC[N@@H+]1CCc2ccccc2C1)N[C@@H]1CC[C@@H]2SCCS[C@H]12 ZINC000762532513 656047183 /nfs/dbraw/zinc/04/71/83/656047183.db2.gz FIPWCHYUUOIFKS-FGTMMUONSA-N 1 0 377.579 2.724 20 0 GFADRO COC(=O)c1cc(S(=O)(=O)N[C@H]2CCC[C@@H]2[NH+](C)C)c(Cl)cc1Cl ZINC000840953062 661218090 /nfs/dbraw/zinc/21/80/90/661218090.db2.gz XPWFUUHXYJJZOH-STQMWFEESA-N 1 0 395.308 2.541 20 0 GFADRO CC(C)(C)OC(=O)N(CC[NH2+]CC1(CS(C)(=O)=O)CCC1)C(C)(C)C ZINC000840974624 661222934 /nfs/dbraw/zinc/22/29/34/661222934.db2.gz DDASBYSVQHUCHD-UHFFFAOYSA-N 1 0 376.563 2.827 20 0 GFADRO COc1ccc(C(=O)N[C@H](C[NH+](C)C)C(C)C)cc1I ZINC000763386293 656081878 /nfs/dbraw/zinc/08/18/78/656081878.db2.gz KJTWISPYBLGTGP-CYBMUJFWSA-N 1 0 390.265 2.616 20 0 GFADRO OCC[C@@H]([NH2+]Cc1ccccc1I)C1CCOCC1 ZINC000763466521 656083631 /nfs/dbraw/zinc/08/36/31/656083631.db2.gz IPMQDUNMXWOANT-OAHLLOKOSA-N 1 0 375.250 2.558 20 0 GFADRO CC(C)(CC[NH2+]Cc1ccccc1I)S(C)(=O)=O ZINC000840960825 661221540 /nfs/dbraw/zinc/22/15/40/661221540.db2.gz VMMMAKWYCZBHSV-UHFFFAOYSA-N 1 0 381.279 2.594 20 0 GFADRO O=S1(=O)CCCN1c1ccc(C[NH2+][C@@H]2CC[C@H]3SCCS[C@@H]23)cc1 ZINC000763561238 656085983 /nfs/dbraw/zinc/08/59/83/656085983.db2.gz GIPAYCPRUNECPR-ZACQAIPSSA-N 1 0 384.592 2.696 20 0 GFADRO C[N@H+](CC(=O)N1CCO[C@H](c2ccccc2Br)C1)[C@H]1CCSC1 ZINC000764087465 656100879 /nfs/dbraw/zinc/10/08/79/656100879.db2.gz MFERQAGKDQKWDA-BBRMVZONSA-N 1 0 399.354 2.786 20 0 GFADRO O=C(Nc1cc2c(cc1Br)OCCO2)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000841013930 661227224 /nfs/dbraw/zinc/22/72/24/661227224.db2.gz ASHJFBKIPVZMPT-NSHDSACASA-N 1 0 382.258 2.579 20 0 GFADRO CC[C@H]1CN(C(=O)Nc2cc3c(cc2Br)OCCO3)CC[C@@H]1[NH3+] ZINC000841016693 661228316 /nfs/dbraw/zinc/22/83/16/661228316.db2.gz WLWOSHUOSPBXPS-JQWIXIFHSA-N 1 0 384.274 2.811 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1cc(=O)c2cc(Br)ccc2o1 ZINC000841055248 661230092 /nfs/dbraw/zinc/23/00/92/661230092.db2.gz MNHJLMWAUUPWJR-KGLIPLIRSA-N 1 0 391.265 2.912 20 0 GFADRO CC[N@@H+]1C[C@H](C)N(C(=O)/C=C\c2ccc(I)o2)C[C@H]1C ZINC000765923728 656154872 /nfs/dbraw/zinc/15/48/72/656154872.db2.gz JBKNARYDCUHEQA-YYYFKNSJSA-N 1 0 388.249 2.839 20 0 GFADRO C[C@H]([NH2+]CCCOC[C@H]1CCOC1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000766122054 656162315 /nfs/dbraw/zinc/16/23/15/656162315.db2.gz JSBYDAXYJYKHOM-UONOGXRCSA-N 1 0 377.453 2.777 20 0 GFADRO C[NH2+]C[C@H]1CCCN(C(=O)C(=O)Nc2ccccc2SC(F)(F)F)C1 ZINC000841145144 661238204 /nfs/dbraw/zinc/23/82/04/661238204.db2.gz IETAACAAFMVSDA-LLVKDONJSA-N 1 0 375.416 2.695 20 0 GFADRO COc1cc(S(=O)(=O)N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cnc1Cl ZINC000767842068 656222815 /nfs/dbraw/zinc/22/28/15/656222815.db2.gz FBYGYAOMXYBAKC-OLZOCXBDSA-N 1 0 387.933 2.675 20 0 GFADRO CSc1nc2ccc(NC(=O)C(=O)N3CCC[C@@H]([C@H](C)[NH3+])C3)cc2s1 ZINC000841180255 661242020 /nfs/dbraw/zinc/24/20/20/661242020.db2.gz ZBZWESMQXASXHE-WDEREUQCSA-N 1 0 378.523 2.543 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2S(=O)(=O)/C=C\c1cccc(Cl)c1 ZINC000768863814 656257317 /nfs/dbraw/zinc/25/73/17/656257317.db2.gz AJUQVJKJMWDKJW-KBWKEKOJSA-N 1 0 384.929 2.824 20 0 GFADRO COC[C@]1(CNC(=O)Nc2cc3ccccc3nc2Br)CCC[NH2+]1 ZINC000841215244 661245021 /nfs/dbraw/zinc/24/50/21/661245021.db2.gz LQIXNBOYYLNGOS-QGZVFWFLSA-N 1 0 393.285 2.887 20 0 GFADRO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]CCCc1cccs1 ZINC000769692940 656286253 /nfs/dbraw/zinc/28/62/53/656286253.db2.gz WTOSEYYLTIWLAG-ZDUSSCGKSA-N 1 0 387.958 2.988 20 0 GFADRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)Nc1ccc2cc(Br)ccc2c1 ZINC000841231052 661246271 /nfs/dbraw/zinc/24/62/71/661246271.db2.gz VMPQNSHPSLYIJF-MEDUHNTESA-N 1 0 390.281 2.655 20 0 GFADRO C[NH+](C)CCNC(=S)Nc1cccc(Oc2ncc(Br)cn2)c1 ZINC000769796067 656291976 /nfs/dbraw/zinc/29/19/76/656291976.db2.gz UDGAGTMIHFBIGT-UHFFFAOYSA-N 1 0 396.314 2.879 20 0 GFADRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)Nc1cccc(Cl)c1SC(F)F ZINC000841231353 661246801 /nfs/dbraw/zinc/24/68/01/661246801.db2.gz ZZCPJSYAHBWHBJ-PSASIEDQSA-N 1 0 377.844 2.707 20 0 GFADRO C[NH+](C)CC[C@H](NC(=O)c1nccn2c(Br)cnc12)C(C)(C)C ZINC000769864480 656295889 /nfs/dbraw/zinc/29/58/89/656295889.db2.gz WQBFNSGOCZKGDK-NSHDSACASA-N 1 0 382.306 2.588 20 0 GFADRO CCc1noc(C)c1[C@H](C)[NH2+]CC1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000769878417 656296401 /nfs/dbraw/zinc/29/64/01/656296401.db2.gz XYHCKUINQVVBTH-JTQLQIEISA-N 1 0 383.436 2.758 20 0 GFADRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)Nc1cc(C(F)(F)F)cc(Br)n1 ZINC000841241124 661247707 /nfs/dbraw/zinc/24/77/07/661247707.db2.gz DKUYHJKBXCNTPE-VXNVDRBHSA-N 1 0 381.196 2.982 20 0 GFADRO [NH3+]CC[C@@H](NC(=O)Nc1cc(C(F)(F)F)cc(Br)n1)C(F)F ZINC000841242053 661248111 /nfs/dbraw/zinc/24/81/11/661248111.db2.gz UIUAWBDAKLBMSR-ZCFIWIBFSA-N 1 0 391.138 2.967 20 0 GFADRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1cccnc1I ZINC000770552088 656322822 /nfs/dbraw/zinc/32/28/22/656322822.db2.gz HABZEILCEONZPB-VXGBXAGGSA-N 1 0 387.265 2.536 20 0 GFADRO Cc1ccc(CCC(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)c(Br)c1 ZINC000771984277 656369273 /nfs/dbraw/zinc/36/92/73/656369273.db2.gz IRMQZGUCPVIZPA-JKSUJKDBSA-N 1 0 381.314 2.670 20 0 GFADRO CS[C@H]1CN(c2ccc(S(=O)(=O)C(F)(F)F)cc2)C[C@@H]1[NH+]1CCCC1 ZINC000772576601 656383368 /nfs/dbraw/zinc/38/33/68/656383368.db2.gz HCMRZTJJGFESTN-GJZGRUSLSA-N 1 0 394.484 2.996 20 0 GFADRO Cc1nc([C@@H](C)[NH2+]CC2CCN(S(=O)(=O)C(F)(F)F)CC2)c(C)s1 ZINC000772880001 656392375 /nfs/dbraw/zinc/39/23/75/656392375.db2.gz SQUHINKMYDJYNW-SECBINFHSA-N 1 0 385.477 2.972 20 0 GFADRO C[C@H](CNS(=O)(=O)c1ccc2nc(Cl)cnc2c1)[NH+]1CCC(C)CC1 ZINC000772926363 656393733 /nfs/dbraw/zinc/39/37/33/656393733.db2.gz DGTBCAVDGFPDQT-CYBMUJFWSA-N 1 0 382.917 2.682 20 0 GFADRO C[N@H+](CCNS(=O)(=O)c1ccc2nc(Cl)cnc2c1)C1CCCCC1 ZINC000772931614 656394187 /nfs/dbraw/zinc/39/41/87/656394187.db2.gz WRWFVDYHMJEHPF-UHFFFAOYSA-N 1 0 382.917 2.826 20 0 GFADRO C[C@H]([NH2+][C@@H]1CC[C@@H]2SCCS[C@@H]12)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000773131459 656400603 /nfs/dbraw/zinc/40/06/03/656400603.db2.gz AAKHLYFGDYJYJB-IEAZIUSSSA-N 1 0 386.608 2.967 20 0 GFADRO C[C@H]1CCC[N@@H+]1CCNC(=O)C(=O)Nc1cc(Cl)cc(C(F)(F)F)c1 ZINC000773368811 656441212 /nfs/dbraw/zinc/44/12/12/656441212.db2.gz FBFSHEUTQBHUHR-JTQLQIEISA-N 1 0 377.794 2.898 20 0 GFADRO CSCC[C@@H]1NC(=S)N(CC2([N@H+](C)Cc3ccccc3)CCC2)C1=O ZINC000841488774 661272567 /nfs/dbraw/zinc/27/25/67/661272567.db2.gz PHVMRIGURSTHAH-INIZCTEOSA-N 1 0 377.579 2.880 20 0 GFADRO Cc1cc(Br)cc(C[NH+]2CCC(C(=O)N3CCOCC3)CC2)c1 ZINC000774819253 656559863 /nfs/dbraw/zinc/55/98/63/656559863.db2.gz ISTCXVHCMZAEPU-UHFFFAOYSA-N 1 0 381.314 2.828 20 0 GFADRO O=C1NC2(CCCCC2)C(=O)N1CCC[NH2+][C@@H]1CC[C@@H]2SCCS[C@H]12 ZINC000775370843 656632866 /nfs/dbraw/zinc/63/28/66/656632866.db2.gz JMSFUPFQGQTNAZ-QLFBSQMISA-N 1 0 383.583 2.600 20 0 GFADRO Cc1cc2ncn(C[C@H](O)C[NH2+][C@@H]3CC[C@H]4SCCS[C@@H]34)c2cc1C ZINC000775409053 656637330 /nfs/dbraw/zinc/63/73/30/656637330.db2.gz MGYYFUGSGGPAGF-RGCFKVTRSA-N 1 0 377.579 2.983 20 0 GFADRO COc1ccccc1[C@H](CO)[NH2+]C[C@@H](O)c1ccc(F)c(Br)c1 ZINC000775659336 656661266 /nfs/dbraw/zinc/66/12/66/656661266.db2.gz CZHZLRFEERRXLE-JKSUJKDBSA-N 1 0 384.245 2.953 20 0 GFADRO C[C@@H]1CN(C(=O)C[NH2+][C@@H](c2cc(F)cc(Br)c2)C2CC2)CCO1 ZINC000775876561 656687643 /nfs/dbraw/zinc/68/76/43/656687643.db2.gz YURMDZVURMVHQG-PIGZYNQJSA-N 1 0 385.277 2.876 20 0 GFADRO Cc1cnc(Br)cc1NC(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000776049105 656707729 /nfs/dbraw/zinc/70/77/29/656707729.db2.gz LHILQKCPNWFBSC-BETUJISGSA-N 1 0 385.306 2.773 20 0 GFADRO CS[C@@H]1CC[C@H]([NH2+]Cc2c(C)nn([C@@H]3CCS(=O)(=O)C3)c2Cl)C1 ZINC000776698892 656785457 /nfs/dbraw/zinc/78/54/57/656785457.db2.gz DFPMHGCNGOSEJK-YNEHKIRRSA-N 1 0 377.963 2.578 20 0 GFADRO CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+]C[C@H](OC)C(F)(F)F)cc1 ZINC000777006907 656803488 /nfs/dbraw/zinc/80/34/88/656803488.db2.gz KBNHDGAPURYSPI-WFASDCNBSA-N 1 0 382.448 2.945 20 0 GFADRO Cc1ccccc1C[NH+]1CCC(NC(=O)Cn2ccc(Br)n2)CC1 ZINC000778556988 656884609 /nfs/dbraw/zinc/88/46/09/656884609.db2.gz KNQLQXXQSXYDSS-UHFFFAOYSA-N 1 0 391.313 2.735 20 0 GFADRO C[C@H]1CN(Cn2nc(C(F)(F)F)sc2=S)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000780436771 657006127 /nfs/dbraw/zinc/00/61/27/657006127.db2.gz ICPPFJKLNHDOET-NWDGAFQWSA-N 1 0 395.520 2.608 20 0 GFADRO C[C@@H]1CCC[N@@H+]1CCNS(=O)(=O)c1ccc(Br)cc1Cl ZINC000780868779 657034533 /nfs/dbraw/zinc/03/45/33/657034533.db2.gz YVODRZGDUVAUSL-SNVBAGLBSA-N 1 0 381.723 2.865 20 0 GFADRO COc1ccc(C(=O)N[C@H](C)C[NH+]2C[C@@H](C)C[C@H](C)C2)nc1Br ZINC000781951663 657092180 /nfs/dbraw/zinc/09/21/80/657092180.db2.gz ZWINWRRQEPFGGQ-RWMBFGLXSA-N 1 0 384.318 2.949 20 0 GFADRO COC(=O)C1=C(C)O[C@H](C[NH2+][C@@H](CCO)c2ccccc2Br)C1 ZINC000782103222 657102492 /nfs/dbraw/zinc/10/24/92/657102492.db2.gz PTEDEEONZIPHAG-LRDDRELGSA-N 1 0 384.270 2.698 20 0 GFADRO CSc1nnc(CNC(=O)N(CCc2ccccc2)CC[NH+](C)C)s1 ZINC000783061430 657204111 /nfs/dbraw/zinc/20/41/11/657204111.db2.gz XDRYIGAHIGJDIN-UHFFFAOYSA-N 1 0 379.555 2.576 20 0 GFADRO C[C@H]1CCC[N@@H+]1CCNC(=O)c1nn(-c2ccc(F)cc2)cc1Br ZINC000783919366 657274093 /nfs/dbraw/zinc/27/40/93/657274093.db2.gz WYKXTKQUJHRNJB-LBPRGKRZSA-N 1 0 395.276 2.988 20 0 GFADRO COc1cccc(N2CCC[C@H]([NH2+]Cc3cc(Br)nn3C)C2)c1 ZINC000785470230 657366640 /nfs/dbraw/zinc/36/66/40/657366640.db2.gz IWXLUSNWYHSJTI-ZDUSSCGKSA-N 1 0 379.302 2.950 20 0 GFADRO Cn1nc(Br)cc1CNc1ccccc1C[NH+]1CCC(CO)CC1 ZINC000785484825 657368503 /nfs/dbraw/zinc/36/85/03/657368503.db2.gz KQAFODAGWJPWPB-UHFFFAOYSA-N 1 0 393.329 2.999 20 0 GFADRO Cn1nc(Br)cc1C[NH2+]CCOc1cccc(C(F)(F)F)n1 ZINC000785510733 657371110 /nfs/dbraw/zinc/37/11/10/657371110.db2.gz ITANZDZRXRKLTG-UHFFFAOYSA-N 1 0 379.180 2.765 20 0 GFADRO COCCS(=O)(=O)CCC[NH2+][C@@H](C)c1ccc(Br)cc1OC ZINC000787344772 657546272 /nfs/dbraw/zinc/54/62/72/657546272.db2.gz KJNOQXVVRASTTJ-LBPRGKRZSA-N 1 0 394.331 2.560 20 0 GFADRO COc1cc(C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)cnc1Br ZINC000788137465 657656807 /nfs/dbraw/zinc/65/68/07/657656807.db2.gz WZQGEFALSUIIFC-AWEZNQCLSA-N 1 0 378.270 2.885 20 0 GFADRO O=C(NC1CC[NH+](CCc2ccccc2)CC1)c1cc(Br)n[nH]1 ZINC000788281975 657689652 /nfs/dbraw/zinc/68/96/52/657689652.db2.gz OMRVJPMWXINCRA-UHFFFAOYSA-N 1 0 377.286 2.609 20 0 GFADRO CC(C)(C)OC(=O)N1CC2(CC([NH2+]Cc3ccc(S(C)(=O)=O)s3)C2)C1 ZINC000788758939 657782491 /nfs/dbraw/zinc/78/24/91/657782491.db2.gz SKTPSOWKCMICND-UHFFFAOYSA-N 1 0 386.539 2.641 20 0 GFADRO COc1cc(S(=O)(=O)NC[C@H](C2CCCCC2)[NH+](C)C)cnc1Cl ZINC000788882783 657792076 /nfs/dbraw/zinc/79/20/76/657792076.db2.gz VISUOQNVQIRLOD-CQSZACIVSA-N 1 0 375.922 2.532 20 0 GFADRO Cn1c(Cl)ncc1S(=O)(=O)N[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000788916084 657796966 /nfs/dbraw/zinc/79/69/66/657796966.db2.gz IUZPXGXGZHZWTH-OAHLLOKOSA-N 1 0 382.917 2.579 20 0 GFADRO O=S(=O)(c1ccc(Br)cc1)N1CCC[C@H]([NH2+]Cc2ccoc2)C1 ZINC000791002675 658053388 /nfs/dbraw/zinc/05/33/88/658053388.db2.gz NFBMDEITXAEMHV-HNNXBMFYSA-N 1 0 399.310 2.985 20 0 GFADRO Cc1c(Br)cc(N)cc1C(=O)OCCCN1CC[NH+](C(C)C)CC1 ZINC000792399722 658276221 /nfs/dbraw/zinc/27/62/21/658276221.db2.gz FWJICVQIFGEYBV-UHFFFAOYSA-N 1 0 398.345 2.913 20 0 GFADRO Cc1nc(SC(F)F)sc1CC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000792864225 658324640 /nfs/dbraw/zinc/32/46/40/658324640.db2.gz ZERBUHGVNPLRCN-LBPRGKRZSA-N 1 0 393.525 2.782 20 0 GFADRO O=S(=O)(CC[NH2+]CCCCc1ccc(Cl)c(Cl)c1)N1CCOCC1 ZINC000792971826 658339006 /nfs/dbraw/zinc/33/90/06/658339006.db2.gz PRZRNHQXMJUGNQ-UHFFFAOYSA-N 1 0 395.352 2.568 20 0 GFADRO C[C@@H](CNC(=O)C(=O)N(C)Cc1ccc(Cl)c(Cl)c1)[NH+]1CCCCC1 ZINC000793696967 658427216 /nfs/dbraw/zinc/42/72/16/658427216.db2.gz GCTWIEQEFYTZCX-ZDUSSCGKSA-N 1 0 386.323 2.942 20 0 GFADRO CS[C@@H]1CN(C(=O)Cc2sc(SC(F)F)nc2C)C[C@H]1[NH+](C)C ZINC000793739257 658431779 /nfs/dbraw/zinc/43/17/79/658431779.db2.gz BNHNRMBPEGWBPI-MWLCHTKSSA-N 1 0 381.539 2.813 20 0 GFADRO Cc1ccc(NC(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)nc1Br ZINC000794358440 658526587 /nfs/dbraw/zinc/52/65/87/658526587.db2.gz CAQXVSMPIQUFAV-KBPBESRZSA-N 1 0 397.317 2.652 20 0 GFADRO CCSc1nn(CN2CCN(c3cc[nH+]cc3OC)CC2)c(=S)s1 ZINC000794698704 658598096 /nfs/dbraw/zinc/59/80/96/658598096.db2.gz ISDPJODQCSDHEA-UHFFFAOYSA-N 1 0 383.568 2.969 20 0 GFADRO C[C@@H]1C[N@H+](Cn2ccc(=O)c3cccc(Br)c32)C[C@]2(CCOC2)O1 ZINC000794708058 658599801 /nfs/dbraw/zinc/59/98/01/658599801.db2.gz XBHPOYYEVQAPCB-ACJLOTCBSA-N 1 0 393.281 2.601 20 0 GFADRO CN1CC[NH+](CC2CCN(C(=S)NCCCCC(F)(F)F)CC2)CC1 ZINC000794975707 658643715 /nfs/dbraw/zinc/64/37/15/658643715.db2.gz WAGMWRCTWVYBJU-UHFFFAOYSA-N 1 0 380.524 2.553 20 0 GFADRO O=C1c2c(cccc2Br)CN1CN1CCC[C@@H]1C[NH+]1CCCC1 ZINC000795428944 658817887 /nfs/dbraw/zinc/81/78/87/658817887.db2.gz RCPQFZIWWXHGJR-OAHLLOKOSA-N 1 0 378.314 2.923 20 0 GFADRO OC[C@H]([NH2+]CCC1OCCO1)c1ccc(Br)cc1C(F)(F)F ZINC000796572051 658923332 /nfs/dbraw/zinc/92/33/32/658923332.db2.gz DQPGPQLRWSEAFZ-LBPRGKRZSA-N 1 0 384.192 2.854 20 0 GFADRO C[C@@H]([NH2+]CC1(S(C)(=O)=O)CCCC1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000797101638 658979303 /nfs/dbraw/zinc/97/93/03/658979303.db2.gz MDYKXENSNDXCDG-GFCCVEGCSA-N 1 0 395.493 2.691 20 0 GFADRO COc1c[nH+]ccc1N1CCN(C(=O)Nc2ccc(Br)nc2)CC1 ZINC000797635358 659039107 /nfs/dbraw/zinc/03/91/07/659039107.db2.gz LDQUUQAXAJOHHA-UHFFFAOYSA-N 1 0 392.257 2.602 20 0 GFADRO O=S(=O)(CC[NH2+][C@]1(CO)CCCc2ccccc21)c1ccc(Cl)cc1 ZINC000799335742 659182692 /nfs/dbraw/zinc/18/26/92/659182692.db2.gz JUSOCDKMCWWXGI-IBGZPJMESA-N 1 0 379.909 2.927 20 0 GFADRO O[C@H](C[NH2+]C[C@H](O)COc1cccc(Cl)c1Cl)c1ccc(F)cn1 ZINC000799613216 659202101 /nfs/dbraw/zinc/20/21/01/659202101.db2.gz KEVXSCSGMNLGQS-SMDDNHRTSA-N 1 0 375.227 2.590 20 0 GFADRO CC(C)C[NH+]1CCC(NC(=O)NC[C@H](O)c2cccc(Br)c2)CC1 ZINC000799876194 659237619 /nfs/dbraw/zinc/23/76/19/659237619.db2.gz LYEJKKQGBAXCBM-KRWDZBQOSA-N 1 0 398.345 2.902 20 0 GFADRO Cc1nn(C)c(Br)c1C(=O)NCC1CC[NH+](CCC(C)C)CC1 ZINC000801098645 659368094 /nfs/dbraw/zinc/36/80/94/659368094.db2.gz USDCKEARLYHCQB-UHFFFAOYSA-N 1 0 385.350 2.979 20 0 GFADRO O[C@H](C[NH2+]Cc1cnc(N2CCCC2)nc1)c1cccc(Br)c1 ZINC000801733633 659420535 /nfs/dbraw/zinc/42/05/35/659420535.db2.gz SMCNYRHIDPTNDD-MRXNPFEDSA-N 1 0 377.286 2.663 20 0 GFADRO C[NH+](C)CC1CCC(NC(=O)NC[C@@H](O)c2cccc(Br)c2)CC1 ZINC000801759161 659424532 /nfs/dbraw/zinc/42/45/32/659424532.db2.gz VVCVXQAXPSZHSS-QWFMPGPPSA-N 1 0 398.345 2.902 20 0 GFADRO CCN1CC[C@H]([NH2+]CCCCS(C)(=O)=O)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000801955596 659436259 /nfs/dbraw/zinc/43/62/59/659436259.db2.gz QKAQKVQSAGRJIK-RDJZCZTQSA-N 1 0 378.460 2.654 20 0 GFADRO CC(C)[N@@H+]1CCO[C@H](COC(=O)c2cccc(I)c2)C1 ZINC000802140026 659449059 /nfs/dbraw/zinc/44/90/59/659449059.db2.gz DSYSOIIYIUDVCJ-AWEZNQCLSA-N 1 0 389.233 2.557 20 0 GFADRO CC(C)[N@@H+]1CCO[C@@H](COC(=O)[C@H](C)Oc2cccc(Br)c2)C1 ZINC000802138456 659449200 /nfs/dbraw/zinc/44/92/00/659449200.db2.gz HUSPJIXAMSDJSC-XJKSGUPXSA-N 1 0 386.286 2.869 20 0 GFADRO C[NH+]1CCC(NC(=S)N2CCOc3ccc(Br)cc3C2)CC1 ZINC000802714608 659493988 /nfs/dbraw/zinc/49/39/88/659493988.db2.gz BARQSLOFRJRSCM-UHFFFAOYSA-N 1 0 384.343 2.612 20 0 GFADRO C[C@H](CC(=O)c1cccc(Br)c1)C(=O)N[C@H]1CCc2cncn2C1 ZINC000804334010 659635637 /nfs/dbraw/zinc/63/56/37/659635637.db2.gz VVEAYGDGTABYAS-DOMZBBRYSA-N 1 0 390.281 2.986 20 0 GFADRO Brc1cnc(Br)c(NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)c1 ZINC000804396176 659642528 /nfs/dbraw/zinc/64/25/28/659642528.db2.gz DACZBEQXCLNYQU-QWRGUYRKSA-N 1 0 391.107 2.882 20 0 GFADRO O=S(=O)(c1cnc(Cl)c(F)c1)N1CCC(C[NH+]2CCCCC2)CC1 ZINC000804968281 659705197 /nfs/dbraw/zinc/70/51/97/659705197.db2.gz YIJYVFUVJBYEBV-UHFFFAOYSA-N 1 0 375.897 2.761 20 0 GFADRO CNC(=O)OC[C@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc(Br)cc1 ZINC000805827533 659808060 /nfs/dbraw/zinc/80/80/60/659808060.db2.gz LKSKWCNWCPNVDU-OAHLLOKOSA-N 1 0 398.301 2.988 20 0 GFADRO C[NH+](C)[C@@]1(CNC(=O)c2nc(Br)sc2C2CC2)CCSC1 ZINC000807002026 659846110 /nfs/dbraw/zinc/84/61/10/659846110.db2.gz PWWLCKZZJMKLLJ-CQSZACIVSA-N 1 0 390.372 2.950 20 0 GFADRO CC[NH+](CC)CCSCC(=O)Nc1cn2cc(Br)ncc2n1 ZINC000807924768 659870960 /nfs/dbraw/zinc/87/09/60/659870960.db2.gz UJUBEEKDULZHHZ-UHFFFAOYSA-N 1 0 386.319 2.505 20 0 GFADRO CN(C)S(=O)(=O)N1CCC[C@@H]([NH2+]Cc2ccc(SC(F)(F)F)cc2)C1 ZINC000808424734 659893884 /nfs/dbraw/zinc/89/38/84/659893884.db2.gz UVZPRDYIZWSTRW-CYBMUJFWSA-N 1 0 397.488 2.659 20 0 GFADRO O[C@H]1c2ccccc2OC[C@@H]1[NH2+]Cc1cc(Br)cc2c1OCC2 ZINC000808454865 659894713 /nfs/dbraw/zinc/89/47/13/659894713.db2.gz UILJIJQASWCKEI-RDJZCZTQSA-N 1 0 376.250 2.968 20 0 GFADRO CCS(=O)(=O)C[C@H](C)[NH2+]C[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)CC1 ZINC000808725768 659903728 /nfs/dbraw/zinc/90/37/28/659903728.db2.gz DQYHZUJLUTWVAC-JYJNAYRXSA-N 1 0 376.563 2.730 20 0 GFADRO CCN1C(=O)N=NC1C1CC[NH+](C[C@H](O)c2ccc(Br)cc2)CC1 ZINC000808740178 659904179 /nfs/dbraw/zinc/90/41/79/659904179.db2.gz HEQLPKIMRSPDFB-HNNXBMFYSA-N 1 0 395.301 2.679 20 0 GFADRO CC(C)[C@H](C[NH2+]Cc1nc2ccccn2c1Br)N1CCOCC1 ZINC000809604261 659933541 /nfs/dbraw/zinc/93/35/41/659933541.db2.gz QCXLNPPGYIZZFV-HNNXBMFYSA-N 1 0 381.318 2.543 20 0 GFADRO O[C@@H](C[NH2+]Cc1cnc(C2OCCO2)s1)c1cccc(Br)c1 ZINC000809661551 659935814 /nfs/dbraw/zinc/93/58/14/659935814.db2.gz HYKJHWZVJCHILH-ZDUSSCGKSA-N 1 0 385.283 2.774 20 0 GFADRO COC(=O)c1cc(C[NH2+]CC(=O)Nc2cc(Br)ccc2C)cn1C ZINC000810137942 659964382 /nfs/dbraw/zinc/96/43/82/659964382.db2.gz KVLRNWFIWAZYBI-UHFFFAOYSA-N 1 0 394.269 2.611 20 0 GFADRO Cn1nnc(Br)c1-c1nc(-c2ccc(C[NH+]3CCCC3)cc2)no1 ZINC000810276836 659968364 /nfs/dbraw/zinc/96/83/64/659968364.db2.gz DQKYMLMGXKQGJO-UHFFFAOYSA-N 1 0 389.257 2.890 20 0 GFADRO Nc1nc(N2CCC[C@H](OC(=O)/C=C/c3ccc(Br)o3)C2)cc[nH+]1 ZINC000810767245 659984990 /nfs/dbraw/zinc/98/49/90/659984990.db2.gz UHCUCTKHTPBWIG-FUEXJSSKSA-N 1 0 393.241 2.640 20 0 GFADRO Nc1nc(N2CCC[C@H](OC(=O)c3csc(Br)c3)C2)cc[nH+]1 ZINC000810768469 659984992 /nfs/dbraw/zinc/98/49/92/659984992.db2.gz NPVCUZJVQMAPDQ-JTQLQIEISA-N 1 0 383.271 2.709 20 0 GFADRO CSC1(CNC(=O)c2ccc(C3N=NC(=S)O3)cc2)CC[NH+](C)CC1 ZINC000812255946 660021720 /nfs/dbraw/zinc/02/17/20/660021720.db2.gz NECCQFLUMSGHHP-UHFFFAOYSA-N 1 0 378.523 2.583 20 0 GFADRO C[C@H](Oc1ccc(F)cc1Br)C(=O)N1C[C@@H]2C[N@@H+](C)CC[C@@H]2C1 ZINC000812332872 660024423 /nfs/dbraw/zinc/02/44/23/660024423.db2.gz LVKAYKSJZKSCFU-XQQFMLRXSA-N 1 0 385.277 2.766 20 0 GFADRO Cc1cnc(Br)c(NC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)c1 ZINC000813003047 660039607 /nfs/dbraw/zinc/03/96/07/660039607.db2.gz COFXQHFGKCRCOZ-ZDUSSCGKSA-N 1 0 385.306 2.631 20 0 GFADRO O=C(CNC(=S)Nc1ccc(F)c(Cl)c1)NCC[NH+]1CCCCCC1 ZINC000814207113 660074428 /nfs/dbraw/zinc/07/44/28/660074428.db2.gz SBBYVDSLISCYDN-UHFFFAOYSA-N 1 0 386.924 2.758 20 0 GFADRO C[C@](O)(C[NH+]1CCC(CC(N)=O)CC1)c1ccc(Br)cc1Cl ZINC000815018523 660102151 /nfs/dbraw/zinc/10/21/51/660102151.db2.gz SEGRBTFDUUZRMC-INIZCTEOSA-N 1 0 389.721 2.897 20 0 GFADRO CNC(=O)CCC[N@H+](C)C[C@](C)(O)c1ccc(Br)cc1Cl ZINC000815076468 660109767 /nfs/dbraw/zinc/10/97/67/660109767.db2.gz RHCOMFUNJZCTCG-HNNXBMFYSA-N 1 0 377.710 2.768 20 0 GFADRO C[C@](O)(C[N@@H+]1CC[C@H](CC(N)=O)C1)c1ccc(Br)cc1Cl ZINC000815120833 660113798 /nfs/dbraw/zinc/11/37/98/660113798.db2.gz WGXUUDZIONXFPS-BMIGLBTASA-N 1 0 375.694 2.507 20 0 GFADRO Nc1nc(N2CCC[C@@H](OC(=O)c3cccc(F)c3Br)C2)cc[nH+]1 ZINC000816055444 660141564 /nfs/dbraw/zinc/14/15/64/660141564.db2.gz HVVDQBARFKOOMU-SNVBAGLBSA-N 1 0 395.232 2.786 20 0 GFADRO CC[N@@H+]1CC[C@H]2OCCN(Cc3ccccc3I)[C@H]2C1 ZINC000816639001 660163744 /nfs/dbraw/zinc/16/37/44/660163744.db2.gz DQAFNANCHSSSAZ-JKSUJKDBSA-N 1 0 386.277 2.586 20 0 GFADRO C[NH+]1CCN(c2ccc(CNC(=O)c3snc(Cl)c3Cl)cn2)CC1 ZINC000816838375 660170310 /nfs/dbraw/zinc/17/03/10/660170310.db2.gz ZKRKNGJKMGBDCA-UHFFFAOYSA-N 1 0 386.308 2.527 20 0 GFADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)Oc1ccc(Cl)c(F)c1F ZINC000841556666 661299763 /nfs/dbraw/zinc/29/97/63/661299763.db2.gz AASMJKQFUNHSAP-UHFFFAOYSA-N 1 0 393.843 2.761 20 0 GFADRO CN(C(=O)NCc1cc(Br)c2c(c1)OCCO2)C1CCC([NH3+])CC1 ZINC000841744500 661311813 /nfs/dbraw/zinc/31/18/13/661311813.db2.gz OVQZTNAEOQPNNX-UHFFFAOYSA-N 1 0 398.301 2.632 20 0 GFADRO [NH3+]C[C@@H](NC(=O)NC[C@@H](O)c1ccccc1Br)C1CCCCC1 ZINC000841939008 661317948 /nfs/dbraw/zinc/31/79/48/661317948.db2.gz KDXZWEXJSYZXNV-HZPDHXFCSA-N 1 0 384.318 2.689 20 0 GFADRO C[C@@]1(CNC(=O)N2CCO[C@@H](c3ccccc3Br)C2)CCC[NH2+]C1 ZINC000841970493 661318647 /nfs/dbraw/zinc/31/86/47/661318647.db2.gz LYINRAOCSQSBKM-SJLPKXTDSA-N 1 0 396.329 2.922 20 0 GFADRO O=C(NCc1ccc2c(c1)C[NH2+]C2)NC[C@@H](O)c1cccc(Br)c1 ZINC000841980699 661318950 /nfs/dbraw/zinc/31/89/50/661318950.db2.gz ZIPDYQSXIXTFDD-QGZVFWFLSA-N 1 0 390.281 2.585 20 0 GFADRO [NH3+]C[C@H]1CC[C@H](CNC(=O)NC[C@@H](O)c2cccc(Br)c2)CC1 ZINC000841994750 661319120 /nfs/dbraw/zinc/31/91/20/661319120.db2.gz IQOXYWVWHYIBPE-XJKCOSOUSA-N 1 0 384.318 2.547 20 0 GFADRO COC(=O)c1ccc(CNC(=O)NCCC[C@@H]2CCC[NH2+]2)c(Br)c1 ZINC000842003085 661319456 /nfs/dbraw/zinc/31/94/56/661319456.db2.gz DVFJBXCWNVEBAF-AWEZNQCLSA-N 1 0 398.301 2.567 20 0 GFADRO C[C@H](NC(=O)N[C@@H]1C[NH2+]CCC1(F)F)[C@@H](O)c1c(Cl)cccc1Cl ZINC000842006022 661319513 /nfs/dbraw/zinc/31/95/13/661319513.db2.gz UOPJMGKSWMUWSF-RLCGTCKNSA-N 1 0 382.238 2.712 20 0 GFADRO CC[C@@H](C)[N@H+](C)CCN1C(=O)[C@H]2Cc3c(Br)cccc3CN2C1=O ZINC000842241022 661329630 /nfs/dbraw/zinc/32/96/30/661329630.db2.gz XHNNMMNPEQZGJI-MLGOLLRUSA-N 1 0 394.313 2.868 20 0 GFADRO [NH3+][C@@H]1CCO[C@@H](C2CCN(S(=O)(=O)/C=C/c3ccccc3Cl)CC2)C1 ZINC000842484650 661341601 /nfs/dbraw/zinc/34/16/01/661341601.db2.gz KIRREWGNHUICSY-ASGLRFHOSA-N 1 0 384.929 2.859 20 0 GFADRO O=S(=O)(/C=C/c1ccccc1Br)N(C1CC1)C1CC[NH2+]CC1 ZINC000842687959 661349336 /nfs/dbraw/zinc/34/93/36/661349336.db2.gz DSIPNIJGKKKBBD-FMIVXFBMSA-N 1 0 385.327 2.966 20 0 GFADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]CC1CCC(F)CC1 ZINC000842775058 661353550 /nfs/dbraw/zinc/35/35/50/661353550.db2.gz MZRDIVFLRBGSQW-JXQTWKCFSA-N 1 0 377.913 2.822 20 0 GFADRO O=S(=O)(/C=C\c1ccc(Br)cc1)N1CCC2(C1)CC[NH2+]CC2 ZINC000842825916 661356576 /nfs/dbraw/zinc/35/65/76/661356576.db2.gz LRUCVXDTWDVYHF-XGICHPGQSA-N 1 0 385.327 2.825 20 0 GFADRO O=S(=O)(/C=C\c1cccc(Br)c1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000842861231 661357701 /nfs/dbraw/zinc/35/77/01/661357701.db2.gz UWHWVONVWORIPO-AVFOEOQDSA-N 1 0 385.327 2.825 20 0 GFADRO [NH3+]CCCCCCNS(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC000842913376 661360296 /nfs/dbraw/zinc/36/02/96/661360296.db2.gz AMBAMIYWCQTVHZ-AWEZNQCLSA-N 1 0 390.933 2.553 20 0 GFADRO C[C@@](O)(C[NH2+]C[C@@H](O)C(F)(F)F)c1ccc(Br)cc1Cl ZINC000843062954 661365528 /nfs/dbraw/zinc/36/55/28/661365528.db2.gz OUCMRSHJPOWZRB-GHMZBOCLSA-N 1 0 376.600 2.823 20 0 GFADRO O[C@@H](C[NH2+]C[C@H](O)COc1cccc(F)c1)c1cccc(Br)c1 ZINC000843064244 661365807 /nfs/dbraw/zinc/36/58/07/661365807.db2.gz GBVHGUUJZVWZAR-RDJZCZTQSA-N 1 0 384.245 2.651 20 0 GFADRO O[C@H](C[NH2+]C[C@H](O)c1ccc(Br)cc1)COc1cccc(F)c1 ZINC000843066005 661366040 /nfs/dbraw/zinc/36/60/40/661366040.db2.gz OMNHZDXLUYROQY-WBVHZDCISA-N 1 0 384.245 2.651 20 0 GFADRO Cc1ccccc1[C@@H](O)C[NH2+]C[C@H](O)COc1cccc(Br)c1 ZINC000843073160 661366364 /nfs/dbraw/zinc/36/63/64/661366364.db2.gz GKWZLAUZXKJEML-YJBOKZPZSA-N 1 0 380.282 2.820 20 0 GFADRO CN(C[C@H](O)C[NH2+]C[C@@H](O)c1c(Cl)cccc1Cl)C(=O)OC(C)(C)C ZINC000843085324 661366986 /nfs/dbraw/zinc/36/69/86/661366986.db2.gz XEXVVIIKYYMBFW-BXUZGUMPSA-N 1 0 393.311 2.844 20 0 GFADRO C[C@](O)(C[NH2+]C[C@H](O)C1CCOCC1)c1ccc(Br)cc1Cl ZINC000843083904 661367007 /nfs/dbraw/zinc/36/70/07/661367007.db2.gz SDQKJSAAYZCRFW-HOTGVXAUSA-N 1 0 392.721 2.687 20 0 GFADRO Cc1cc(F)ccc1[C@@H](O)C[NH2+]C[C@H](O)COc1ccccc1Br ZINC000843092702 661367336 /nfs/dbraw/zinc/36/73/36/661367336.db2.gz DMJRHTYGJPZUCE-YOEHRIQHSA-N 1 0 398.272 2.960 20 0 GFADRO O[C@@H](C[NH2+]C[C@@H](O)c1ccccc1F)COc1ccccc1Br ZINC000843098463 661367893 /nfs/dbraw/zinc/36/78/93/661367893.db2.gz XFRBMBHTCHNASI-BLLLJJGKSA-N 1 0 384.245 2.651 20 0 GFADRO OC[C@H](C[C@H](O)c1ccccc1)[NH2+]C[C@@H](O)c1ccc(Br)cc1 ZINC000843104087 661368084 /nfs/dbraw/zinc/36/80/84/661368084.db2.gz DIUAIRSSHXZCIF-OKZBNKHCSA-N 1 0 380.282 2.557 20 0 GFADRO O[C@@H](C[NH2+]C[C@@H](O)c1ccc(F)c(Br)c1)Cc1cccc(F)c1 ZINC000843102890 661368101 /nfs/dbraw/zinc/36/81/01/661368101.db2.gz XAHKHGVFXLJYDE-RHSMWYFYSA-N 1 0 386.236 2.954 20 0 GFADRO OC[C@H](C[C@@H](O)c1ccccc1)[NH2+]C[C@H](O)c1ccccc1Br ZINC000843109589 661368555 /nfs/dbraw/zinc/36/85/55/661368555.db2.gz YVZOZTYTHRDYGG-QGTPRVQTSA-N 1 0 380.282 2.557 20 0 GFADRO Cc1nc2c(n1CCO)CC[C@H]([NH2+]C[C@H](O)c1ccc(Cl)cc1Cl)C2 ZINC000843111228 661368723 /nfs/dbraw/zinc/36/87/23/661368723.db2.gz FDBBBZGYWIJMJA-UGSOOPFHSA-N 1 0 384.307 2.671 20 0 GFADRO C[C@H](Cc1nc(CS(=O)(=O)c2ccc(Cl)cc2)no1)[C@@H]1CCC[NH2+]C1 ZINC000843196664 661371497 /nfs/dbraw/zinc/37/14/97/661371497.db2.gz IVTIYAAAXIJTKC-CHWSQXEVSA-N 1 0 383.901 2.875 20 0 GFADRO COc1cc(Br)c(Cc2noc(CC[C@@H]3CC[NH2+]C3)n2)cc1OC ZINC000843196940 661371509 /nfs/dbraw/zinc/37/15/09/661371509.db2.gz IQYNYONDWGRFBE-LLVKDONJSA-N 1 0 396.285 2.982 20 0 GFADRO [NH3+]C1(Cc2nc(CS(=O)(=O)c3cc(Cl)ccc3Cl)no2)CCC1 ZINC000843198971 661371831 /nfs/dbraw/zinc/37/18/31/661371831.db2.gz ACLHXDRTJGXLPB-UHFFFAOYSA-N 1 0 376.265 2.774 20 0 GFADRO [NH3+][C@H](Cc1nc(Cc2cc(Br)c3c(c2)OCCCO3)no1)C1CC1 ZINC000843203056 661372282 /nfs/dbraw/zinc/37/22/82/661372282.db2.gz OGMDSHXIKWQTMS-CYBMUJFWSA-N 1 0 394.269 2.864 20 0 GFADRO CC(C)([NH3+])CCc1nc(-c2n[nH]c(-c3cccc(Br)c3)n2)no1 ZINC000843228811 661374290 /nfs/dbraw/zinc/37/42/90/661374290.db2.gz ZKZUYMJVOXKOOQ-UHFFFAOYSA-N 1 0 377.246 2.954 20 0 GFADRO O=C(CSC(F)(F)F)N1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000843501664 661383544 /nfs/dbraw/zinc/38/35/44/661383544.db2.gz MULJYHIRFBVLIF-UHFFFAOYSA-N 1 0 376.448 2.836 20 0 GFADRO O=C(CO[C@H]1CCC[NH2+]C1)N[C@H]1CCCN(c2ccc(Cl)cc2Cl)C1 ZINC000843496027 661383574 /nfs/dbraw/zinc/38/35/74/661383574.db2.gz SPDGRFSVAPIXCH-GJZGRUSLSA-N 1 0 386.323 2.847 20 0 GFADRO O=C(/C=C/c1ccc(I)o1)N[C@@H]1CC[NH2+]C12CCCC2 ZINC000843513284 661383908 /nfs/dbraw/zinc/38/39/08/661383908.db2.gz AIHHDTAUJKBKCX-FVOPLDGLSA-N 1 0 386.233 2.688 20 0 GFADRO COC/C(C)=C\C(=O)Nc1cc(Br)ccc1N(C)CC[NH+](C)C ZINC000844604993 661429739 /nfs/dbraw/zinc/42/97/39/661429739.db2.gz ZJXUTWFPOXVTQV-RAXLEYEMSA-N 1 0 384.318 2.978 20 0 GFADRO CC[C@@H]1C[N@H+](C)CCN1CN1CC(c2ccc(Br)cc2)=CC1=O ZINC000844704614 661436120 /nfs/dbraw/zinc/43/61/20/661436120.db2.gz AEJFUSXWKDLFAL-QGZVFWFLSA-N 1 0 378.314 2.658 20 0 GFADRO C[NH+](C)CCN1CCN(Cn2cc(C(F)(F)F)cc(Cl)c2=S)CC1=O ZINC000844714124 661436337 /nfs/dbraw/zinc/43/63/37/661436337.db2.gz JJQQQQZPUMGQIZ-UHFFFAOYSA-N 1 0 396.866 2.553 20 0 GFADRO CO[C@H]1CC[N@H+](CN2CC(c3ccc(Br)cc3)=CC2=O)C[C@H]1C ZINC000844709088 661436573 /nfs/dbraw/zinc/43/65/73/661436573.db2.gz PUAWWJKUOUEXGM-DYVFJYSZSA-N 1 0 379.298 2.989 20 0 GFADRO CCN1CC[NH+](CCCCNC(=O)NCCC[C@@H]2CC2(Cl)Cl)CC1 ZINC000844881091 661446140 /nfs/dbraw/zinc/44/61/40/661446140.db2.gz CCNAPVBCADCYGK-OAHLLOKOSA-N 1 0 379.376 2.677 20 0 GFADRO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)c2snc(Cl)c2Cl)CC1 ZINC000845453735 661471155 /nfs/dbraw/zinc/47/11/55/661471155.db2.gz AVNFWQIAFZPOPY-LLVKDONJSA-N 1 0 377.341 2.692 20 0 GFADRO C[C@@H]1CN(C(=O)NCCC[C@@H]2CC2(Cl)Cl)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000845673507 661488329 /nfs/dbraw/zinc/48/83/29/661488329.db2.gz VRDUABZDSTUGPJ-BZUAXINKSA-N 1 0 391.387 2.628 20 0 GFADRO C[C@@H]1[C@H](COC(=O)c2ccc(Br)cc2-n2cncn2)CC[N@@H+]1C ZINC000845817527 661498685 /nfs/dbraw/zinc/49/86/85/661498685.db2.gz IEPOHVSUUOMWNO-NEPJUHHUSA-N 1 0 379.258 2.527 20 0 GFADRO O=S(=O)(N1CCC(C[NH2+]Cc2cccc3c2CCC3)CC1)C(F)(F)F ZINC000845941037 661507852 /nfs/dbraw/zinc/50/78/52/661507852.db2.gz SWQPFSCAGVLEPS-UHFFFAOYSA-N 1 0 376.444 2.827 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(S(=O)(=O)/C=C\c3ccccc3Cl)C2)C1 ZINC000846232636 661539494 /nfs/dbraw/zinc/53/94/94/661539494.db2.gz XGZLRYOHDSKGIX-FUCKIWDRSA-N 1 0 384.929 2.859 20 0 GFADRO COc1ccc(Br)c2[nH]c(C(=O)NOC3CC[NH+](C)CC3)cc21 ZINC000846647551 661560532 /nfs/dbraw/zinc/56/05/32/661560532.db2.gz VBVNSNUHOFYCOR-UHFFFAOYSA-N 1 0 382.258 2.695 20 0 GFADRO COC1CC[NH+](C(C)(C)CNC(=O)c2cnc(F)c(Br)c2)CC1 ZINC000847468630 661593787 /nfs/dbraw/zinc/59/37/87/661593787.db2.gz BBUOENCIBPNURO-UHFFFAOYSA-N 1 0 388.281 2.602 20 0 GFADRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)c2ccccc2S(=O)(=O)C(F)(F)F)C1 ZINC000847548900 661596614 /nfs/dbraw/zinc/59/66/14/661596614.db2.gz DMWXUTCJQQEOTI-NEPJUHHUSA-N 1 0 378.416 2.583 20 0 GFADRO CS[C@H]1CN(C(=O)c2nc(F)ccc2Br)C[C@@H]1[NH+]1CCCC1 ZINC000847724995 661607793 /nfs/dbraw/zinc/60/77/93/661607793.db2.gz INSZQFJUORPPMI-RYUDHWBXSA-N 1 0 388.306 2.635 20 0 GFADRO C[C@H](NC(=O)c1ccc(Br)s1)C(=O)OCC[C@@H]1CC[N@H+](C)C1 ZINC000847824980 661612207 /nfs/dbraw/zinc/61/22/07/661612207.db2.gz PPDHPXYJSZILLY-QWRGUYRKSA-N 1 0 389.315 2.514 20 0 GFADRO COCC[NH+]1CCC(OC(=O)[C@@H](C)Oc2ccccc2Br)CC1 ZINC000847884311 661615072 /nfs/dbraw/zinc/61/50/72/661615072.db2.gz WYSWDVHEOTVXOT-CYBMUJFWSA-N 1 0 386.286 2.870 20 0 GFADRO CCOc1c(Br)cc(C[NH2+]C[C@@H]2CN(C3CC3)C(=O)O2)cc1OC ZINC000848577547 661665641 /nfs/dbraw/zinc/66/56/41/661665641.db2.gz GLEAXAKKWAFZEC-CYBMUJFWSA-N 1 0 399.285 2.929 20 0 GFADRO C[NH+]1CCC(CNC(=S)N2CCOc3cccc(Br)c3C2)CC1 ZINC000848652480 661669896 /nfs/dbraw/zinc/66/98/96/661669896.db2.gz SBFYZAUJDIVFSZ-UHFFFAOYSA-N 1 0 398.370 2.860 20 0 GFADRO C[C@@H]1CN(C(=[NH2+])NCc2cc(Br)ccc2Br)CCO1 ZINC000849095454 661691600 /nfs/dbraw/zinc/69/16/00/661691600.db2.gz YNPUVFHUBIQWDX-SECBINFHSA-N 1 0 391.107 2.957 20 0 GFADRO CCOCCCNC(=[NH2+])NCc1cnn(-c2ccc(Br)cc2)c1 ZINC000849109032 661692399 /nfs/dbraw/zinc/69/23/99/661692399.db2.gz NPAQIFDIBWSHED-UHFFFAOYSA-N 1 0 380.290 2.675 20 0 GFADRO [NH2+]=C(NCCCS(=O)(=O)c1ccc(Cl)cc1)NCCc1ccccc1 ZINC000849112665 661692940 /nfs/dbraw/zinc/69/29/40/661692940.db2.gz AXFFOEGVBCZXCU-UHFFFAOYSA-N 1 0 379.913 2.860 20 0 GFADRO COc1ccc(C[C@@H](CO)CNC(=[NH2+])NCCC(C)C)cc1Br ZINC000849115551 661693154 /nfs/dbraw/zinc/69/31/54/661693154.db2.gz YHLQRNVTMNKDIR-CQSZACIVSA-N 1 0 386.334 2.769 20 0 GFADRO CN(C)C(=O)CN(CC[NH+](C)C)C(=S)Nc1ccc(Cl)c(Cl)c1 ZINC000849292241 661703862 /nfs/dbraw/zinc/70/38/62/661703862.db2.gz BXVGMQORBSEAEJ-UHFFFAOYSA-N 1 0 377.341 2.642 20 0 GFADRO CS(=O)(=O)C1(C[NH2+]C[C@H](O)c2ccc(Br)cc2)CCCCC1 ZINC000849329750 661706205 /nfs/dbraw/zinc/70/62/05/661706205.db2.gz VCBBWNNXYTYGNL-HNNXBMFYSA-N 1 0 390.343 2.820 20 0 GFADRO Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)NCc2ccc(Br)cc2)cn1 ZINC000849504870 661734025 /nfs/dbraw/zinc/73/40/25/661734025.db2.gz FOHRXKXLTFCQRT-DLBZAZTESA-N 1 0 391.313 2.534 20 0 GFADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@H]2C(=O)Nc2ccc(Br)c(F)c2)cn1 ZINC000849557081 661734262 /nfs/dbraw/zinc/73/42/62/661734262.db2.gz YNELJYJWRKBRNG-KGLIPLIRSA-N 1 0 395.276 2.996 20 0 GFADRO O=S(=O)(N1CCC(C[NH2+]Cc2cc3ccncc3s2)CC1)C(F)(F)F ZINC000850133398 661765934 /nfs/dbraw/zinc/76/59/34/661765934.db2.gz JTTBJGCVQZENDT-UHFFFAOYSA-N 1 0 393.456 2.948 20 0 GFADRO O=[S@](CC[NH2+]Cc1cc(Br)cc2c1OCC2)CC(F)(F)F ZINC000850348078 661770732 /nfs/dbraw/zinc/77/07/32/661770732.db2.gz FCXUKPCFQHVPIQ-OAQYLSRUSA-N 1 0 386.233 2.785 20 0 GFADRO Cc1cc(Br)cn2c(C[NH2+]CC[S@@](=O)CC(F)(F)F)cnc12 ZINC000850348107 661770892 /nfs/dbraw/zinc/77/08/92/661770892.db2.gz FSHSDTTXNWGOKA-JOCHJYFZSA-N 1 0 398.248 2.806 20 0 GFADRO C[C@H]([NH2+]CC1CCN(S(=O)(=O)C(F)F)CC1)c1ccc(C(F)F)nc1 ZINC000850441712 661776270 /nfs/dbraw/zinc/77/62/70/661776270.db2.gz AQUPQTKXLQAGOS-JTQLQIEISA-N 1 0 383.411 2.934 20 0 GFADRO C[C@H]([NH2+]CCOCCS(C)(=O)=O)c1ccc(Br)c(Cl)c1 ZINC000850445147 661776411 /nfs/dbraw/zinc/77/64/11/661776411.db2.gz OSYXIQVSYDIYLQ-JTQLQIEISA-N 1 0 384.723 2.814 20 0 GFADRO C[C@H](CC[NH2+][C@H]1CCN(C(=O)C(F)(F)F)Cc2ccccc21)[S@@](C)=O ZINC000850445535 661776427 /nfs/dbraw/zinc/77/64/27/661776427.db2.gz FVIHWXQUBXRJKL-LZDXOUMISA-N 1 0 376.444 2.769 20 0 GFADRO CON(C)CC[NH2+][C@@H](c1ccc(Cl)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000850479783 661778041 /nfs/dbraw/zinc/77/80/41/661778041.db2.gz ZDSDYBOJVWODPN-SFHVURJKSA-N 1 0 382.913 2.916 20 0 GFADRO C[C@H]([NH2+]CC[S@](=O)CC(F)(F)F)c1ccc(NC(=O)NC2CC2)cc1 ZINC000850491358 661778909 /nfs/dbraw/zinc/77/89/09/661778909.db2.gz OJXIAJRHDSGDOH-FTJNGKRUSA-N 1 0 377.432 2.932 20 0 GFADRO C[C@@H]([NH2+]CC[S@@](=O)CC(F)(F)F)c1cc(Br)ncc1F ZINC000850495836 661779484 /nfs/dbraw/zinc/77/94/84/661779484.db2.gz JQGHTWXEFBVRID-JLPJYYFKSA-N 1 0 377.201 2.945 20 0 GFADRO COc1cc([C@H](C)[NH2+]C[C@]2(OCCO)CCOC2)ccc1SC(F)F ZINC000850509527 661779851 /nfs/dbraw/zinc/77/98/51/661779851.db2.gz REZUDVKMNNCUDY-YVEFUNNKSA-N 1 0 377.453 2.829 20 0 GFADRO CC(C)[C@H]([NH2+]CCS(=O)(=O)CC(F)(F)F)c1ccc2[nH]c(=O)oc2c1 ZINC000850520191 661780911 /nfs/dbraw/zinc/78/09/11/661780911.db2.gz UDSYYUFBGXBDSL-ZDUSSCGKSA-N 1 0 380.388 2.797 20 0 GFADRO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCCN2S(=O)(=O)CCc2ccccc2Cl)C1 ZINC000850589872 661782582 /nfs/dbraw/zinc/78/25/82/661782582.db2.gz PPTXRTQPAHXKFF-BPQIPLTHSA-N 1 0 386.945 2.573 20 0 GFADRO CS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC([C@@H]3CCC[NH2+]C3)CC2)c1 ZINC000850720728 661788490 /nfs/dbraw/zinc/78/84/90/661788490.db2.gz GLYINDKUPKCEGH-CQSZACIVSA-N 1 0 384.929 2.595 20 0 GFADRO COc1cc(C[N@H+](C)CCn2cnc(Br)n2)ccc1OC(F)F ZINC000851722312 661828966 /nfs/dbraw/zinc/82/89/66/661828966.db2.gz VFRCXAWVQATOGI-UHFFFAOYSA-N 1 0 391.216 2.783 20 0 GFADRO C[C@@H](c1ccccc1Br)[N@H+](C)C[C@](O)(C(N)=O)c1ccccc1 ZINC000851738603 661829990 /nfs/dbraw/zinc/82/99/90/661829990.db2.gz MCPFATXQRYXMGA-SCLBCKFNSA-N 1 0 377.282 2.815 20 0 GFADRO CCOP(=O)(OCC)[C@@H](O)C[NH+]1CCN(c2cc(F)ccc2F)CC1 ZINC000851804169 661833280 /nfs/dbraw/zinc/83/32/80/661833280.db2.gz YYTVIVRCFDIUEN-MRXNPFEDSA-N 1 0 378.356 2.671 20 0 GFADRO NC(=O)[C@@](O)(C[N@@H+]1CCC[C@@H]1c1ccccc1Br)c1ccccc1 ZINC000851808354 661833523 /nfs/dbraw/zinc/83/35/23/661833523.db2.gz MOLGHOZERVZUKB-IEBWSBKVSA-N 1 0 389.293 2.959 20 0 GFADRO COC(=O)c1sc(S(=O)(=O)N2CCCC[C@@H]2C[NH+](C)C)c(C)c1Cl ZINC000851814128 661833815 /nfs/dbraw/zinc/83/38/15/661833815.db2.gz XYSIVZABCLPWIS-LLVKDONJSA-N 1 0 394.946 2.601 20 0 GFADRO CCC[N@@H+]1CC[C@@H](NS(=O)(=O)c2c(OC)ccc3nc(Cl)ccc32)C1 ZINC000851821695 661835001 /nfs/dbraw/zinc/83/50/01/661835001.db2.gz XZAKMUWPITUWDM-GFCCVEGCSA-N 1 0 383.901 2.659 20 0 GFADRO COC(=O)N1CCC([C@H](C)[NH2+]Cc2cc(Br)cnc2OC)CC1 ZINC000851952255 661846871 /nfs/dbraw/zinc/84/68/71/661846871.db2.gz JUPFJVMFVKXKDL-NSHDSACASA-N 1 0 386.290 2.809 20 0 GFADRO CCOP(=O)(OCC)[C@H](O)C[NH+]1CCC(Oc2ccc(F)nc2)CC1 ZINC000851979887 661847808 /nfs/dbraw/zinc/84/78/08/661847808.db2.gz LTYPJYCKFKVXFN-INIZCTEOSA-N 1 0 376.365 2.648 20 0 GFADRO COC(=O)C[C@@](C)([NH2+]C[C@H](O)c1ccccn1)c1ccc(Br)cc1 ZINC000852045220 661850665 /nfs/dbraw/zinc/85/06/65/661850665.db2.gz UKBLNKWTYVILFH-FUHWJXTLSA-N 1 0 393.281 2.946 20 0 GFADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)N1CC[C@@H]1c1ccc(Br)cc1 ZINC000852066522 661851295 /nfs/dbraw/zinc/85/12/95/661851295.db2.gz QHMAGCGKVQCHGK-GVDBMIGSSA-N 1 0 394.313 2.769 20 0 GFADRO NC(=O)[C@@](O)(C[N@@H+]1CC[C@H](Sc2cccc(Cl)c2)C1)c1ccccc1 ZINC000852078519 661851769 /nfs/dbraw/zinc/85/17/69/661851769.db2.gz CXNIRLPVNSNACF-PKOBYXMFSA-N 1 0 376.909 2.880 20 0 GFADRO NC(=O)[C@](O)(C[N@@H+]1CC[C@H](c2cccc(Br)c2)C1)c1ccccc1 ZINC000852136553 661854163 /nfs/dbraw/zinc/85/41/63/661854163.db2.gz ZBNHKSAOCWGSIX-KXBFYZLASA-N 1 0 389.293 2.612 20 0 GFADRO C[NH+](C)[C@]1(CNC(=O)NC[C@@H](O)c2ccc(Cl)c(Cl)c2)CCSC1 ZINC000852181363 661855850 /nfs/dbraw/zinc/85/58/50/661855850.db2.gz ABJVXSIMCMHQJC-ZBFHGGJFSA-N 1 0 392.352 2.763 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)NC[C@H](O)c2cccc(Br)c2)C1 ZINC000852468865 661865575 /nfs/dbraw/zinc/86/55/75/661865575.db2.gz RLISRYNLTHDWSO-GJZGRUSLSA-N 1 0 384.318 2.655 20 0 GFADRO COc1ccc(C[N@@H+]2CCCN(C(=O)NCC3SCCS3)CC2)cc1 ZINC000852663278 661869721 /nfs/dbraw/zinc/86/97/21/661869721.db2.gz CTPJEIIEPFYPFE-UHFFFAOYSA-N 1 0 381.567 2.719 20 0 GFADRO O=C1OCCN1C1CC[NH+](C[C@@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000852724461 661871757 /nfs/dbraw/zinc/87/17/57/661871757.db2.gz YVYCHIRHMVTYAP-CQSZACIVSA-N 1 0 389.279 2.650 20 0 GFADRO O=C(N[C@@H]1C[NH2+]CCC1(F)F)c1cc(Br)cc(N2CCCC2)c1 ZINC000852832033 661875392 /nfs/dbraw/zinc/87/53/92/661875392.db2.gz CUGQPALZKITFSW-CQSZACIVSA-N 1 0 388.256 2.776 20 0 GFADRO CN(C(=O)C1=NO[C@@H](C[NH3+])C1)[C@@H]1CCSc2ccc(Br)cc21 ZINC000852835441 661875574 /nfs/dbraw/zinc/87/55/74/661875574.db2.gz HTUIXXUONSSQMY-ZWNOBZJWSA-N 1 0 384.299 2.548 20 0 GFADRO CC(C)(CNC(=O)C1=NO[C@@H](C[NH3+])C1)Sc1ccc(Br)cc1 ZINC000852848551 661875782 /nfs/dbraw/zinc/87/57/82/661875782.db2.gz MSPGGKBOHOGBGU-LLVKDONJSA-N 1 0 386.315 2.540 20 0 GFADRO O=C(CO[C@@H]1CCC[NH2+]C1)NCC1(Cc2ccc(Br)cc2)CC1 ZINC000852908093 661877067 /nfs/dbraw/zinc/87/70/67/661877067.db2.gz SZOHNVBNQWNWQG-MRXNPFEDSA-N 1 0 381.314 2.657 20 0 GFADRO Clc1nc2c(Br)c[nH]c2c(NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)n1 ZINC000853240363 661885972 /nfs/dbraw/zinc/88/59/72/661885972.db2.gz BHPMUXVJVLIXHE-RKDXNWHRSA-N 1 0 386.681 2.649 20 0 GFADRO O=C1[C@H](c2cccc(Br)c2)CCN1C[N@@H+]1CC[C@H]2COC[C@@H]2C1 ZINC000853588529 661893719 /nfs/dbraw/zinc/89/37/19/661893719.db2.gz DYEKHPSVWBQGDB-ZOBUZTSGSA-N 1 0 379.298 2.691 20 0 GFADRO COc1nc(-c2noc(C[C@H]3[NH2+]Cc4ccccc43)n2)ncc1Br ZINC000854148734 661916521 /nfs/dbraw/zinc/91/65/21/661916521.db2.gz JCXJXKAXAFFUCF-GFCCVEGCSA-N 1 0 388.225 2.685 20 0 GFADRO O=C(NC[C@H]1CCC[N@H+]1CCCO)C(F)(F)c1ccc(Br)cc1 ZINC000854689984 661947934 /nfs/dbraw/zinc/94/79/34/661947934.db2.gz NEZSYRZSBFEGGP-CQSZACIVSA-N 1 0 391.256 2.504 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)c2sccc2S(=O)(=O)C(F)F)C1 ZINC000855160319 661974331 /nfs/dbraw/zinc/97/43/31/661974331.db2.gz SJIZUKCSYKLTOB-SNVBAGLBSA-N 1 0 380.482 2.595 20 0 GFADRO O=C(NCC1CC[NH+](C2CCOCC2)CC1)c1scnc1Br ZINC000855200427 661975659 /nfs/dbraw/zinc/97/56/59/661975659.db2.gz AGRZJDBSGIZZRG-UHFFFAOYSA-N 1 0 388.331 2.526 20 0 GFADRO CCN(C(=O)C[C@@](O)(c1nc(C)cs1)C(F)(F)F)[C@@H]1CC[N@H+](CC)C1 ZINC000855492334 661993570 /nfs/dbraw/zinc/99/35/70/661993570.db2.gz ZESWXRHIMBBSOB-IUODEOHRSA-N 1 0 379.448 2.534 20 0 GFADRO CCN(C(=O)c1cn(-c2ccccc2Br)nn1)[C@@H]1CC[N@H+](CC)C1 ZINC000855490850 661993577 /nfs/dbraw/zinc/99/35/77/661993577.db2.gz RYAVQVZSTCOFLZ-CYBMUJFWSA-N 1 0 392.301 2.586 20 0 GFADRO O=C([C@H]1CCCC[N@@H+]1C1CCCC1)N1CCn2ncc(Br)c2C1 ZINC000856012504 662016081 /nfs/dbraw/zinc/01/60/81/662016081.db2.gz HDIUWSBUUDIPHO-OAHLLOKOSA-N 1 0 381.318 2.785 20 0 GFADRO Cc1cccc(N2CC[NH+](CCC(=O)NCCC3SCCS3)CC2)c1 ZINC000856221824 662025986 /nfs/dbraw/zinc/02/59/86/662025986.db2.gz MBPGHAFRTJXGMU-UHFFFAOYSA-N 1 0 379.595 2.820 20 0 GFADRO CCC[N@H+](C)CC(C)(C)NC(=O)C[C@@](O)(c1nc(C)cs1)C(F)(F)F ZINC000856283174 662027639 /nfs/dbraw/zinc/02/76/39/662027639.db2.gz PHSLWMJEYFMMCK-OAHLLOKOSA-N 1 0 381.464 2.828 20 0 GFADRO COc1cc(C(=O)NC[C@H]2CCC[N@H+](CC3CC3)C2)cnc1Br ZINC000856479840 662035381 /nfs/dbraw/zinc/03/53/81/662035381.db2.gz NVCMTYDXHHMVKU-CYBMUJFWSA-N 1 0 382.302 2.705 20 0 GFADRO CC[N@H+](C)Cc1cc(O[C@@H]2CCN(c3ncc(Br)cn3)C2)ccn1 ZINC000856533228 662036954 /nfs/dbraw/zinc/03/69/54/662036954.db2.gz QBSMVJSHPLGWEI-MRXNPFEDSA-N 1 0 392.301 2.744 20 0 GFADRO CC[N@H+](C)Cc1cc(O[C@H]2CCN(c3ncc(Br)cn3)C2)ccn1 ZINC000856533227 662036984 /nfs/dbraw/zinc/03/69/84/662036984.db2.gz QBSMVJSHPLGWEI-INIZCTEOSA-N 1 0 392.301 2.744 20 0 GFADRO CC(C)[N@H+](C)Cc1cc(O[C@@H]2CCN(C(=O)C3SCCS3)C2)ccn1 ZINC000856653566 662037852 /nfs/dbraw/zinc/03/78/52/662037852.db2.gz NQYOUZDSKUMOAL-MRXNPFEDSA-N 1 0 381.567 2.708 20 0 GFADRO CCN(C[C@@H]1CC[N@H+](CCS(=O)(=O)C2CCCCC2)C1)CC(F)(F)F ZINC000856727448 662038842 /nfs/dbraw/zinc/03/88/42/662038842.db2.gz NHIJQWUOKLHBCL-HNNXBMFYSA-N 1 0 384.508 2.940 20 0 GFADRO CC(C)[NH2+][C@H]1CCCN(C(=O)c2cccc(S(=O)(=O)C(F)(F)F)c2)C1 ZINC000857089724 662063310 /nfs/dbraw/zinc/06/33/10/662063310.db2.gz CBCIQSLORLYUBH-ZDUSSCGKSA-N 1 0 378.416 2.583 20 0 GFADRO C[N@@H+]1CCC[C@H](c2cccc(C(=O)NCC[S@@](=O)CC(F)(F)F)c2)C1 ZINC000857302432 662072396 /nfs/dbraw/zinc/07/23/96/662072396.db2.gz QWZKRVFFZXEEFQ-ODCWNRFASA-N 1 0 376.444 2.537 20 0 GFADRO CCN(CC)CCN(C(=O)C[C@H]1C=CS(=O)(=O)C1)c1ccc(Cl)cc1 ZINC000857649622 662085129 /nfs/dbraw/zinc/08/51/29/662085129.db2.gz YYHYYUOPDZSLKO-OAHLLOKOSA-N 1 0 384.929 2.963 20 0 GFADRO COCO[C@@H](C)c1cc(F)c(C[NH2+]CCn2cncn2)cc1Br ZINC000858112460 662099122 /nfs/dbraw/zinc/09/91/22/662099122.db2.gz NFVCMWYFBSBXIO-NSHDSACASA-N 1 0 387.253 2.651 20 0 GFADRO COc1ncc(Br)cc1CNC(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000858157758 662102202 /nfs/dbraw/zinc/10/22/02/662102202.db2.gz OMZCNFWXTPYKEI-UHFFFAOYSA-N 1 0 399.333 2.915 20 0 GFADRO COCO[C@@H](C)c1cc(F)c(C[NH2+]C[C@@](C)(CO)OC)cc1Br ZINC000858186124 662103861 /nfs/dbraw/zinc/10/38/61/662103861.db2.gz QZCLUDICQXPWKN-ZBEGNZNMSA-N 1 0 394.281 2.757 20 0 GFADRO Cc1cc(C[NH2+][C@@H]2CCCC[C@H]2NS(C)(=O)=O)cc(C)c1OC(F)F ZINC000858252698 662106200 /nfs/dbraw/zinc/10/62/00/662106200.db2.gz PIQQRMDYRIMEMV-HUUCEWRRSA-N 1 0 376.469 2.855 20 0 GFADRO Brc1cscc1C[NH2+]C[C@@H]1CN(Cc2ccncc2)CCO1 ZINC000858306238 662107820 /nfs/dbraw/zinc/10/78/20/662107820.db2.gz JUPIJLIAONVBOY-OAHLLOKOSA-N 1 0 382.327 2.896 20 0 GFADRO CC[C@H]([NH2+][C@@H](C)C(=O)N(C)OC)c1ccc(I)cc1 ZINC000858579518 662115440 /nfs/dbraw/zinc/11/54/40/662115440.db2.gz RABBWLPKXBJCKG-GWCFXTLKSA-N 1 0 376.238 2.740 20 0 GFADRO C[NH+]1CCN(c2cc(-c3noc([C@H]4C[C@]4(C)Br)n3)ccn2)CC1 ZINC000858798398 662123683 /nfs/dbraw/zinc/12/36/83/662123683.db2.gz VRTFXOGQBWDDLX-WBMJQRKESA-N 1 0 378.274 2.524 20 0 GFADRO COC(=O)Nc1ccc(S(=O)(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1Cl ZINC000859014366 662132091 /nfs/dbraw/zinc/13/20/91/662132091.db2.gz IROFHHGRSZRZLC-NWDGAFQWSA-N 1 0 389.905 2.622 20 0 GFADRO O=C(OCc1ccc(Br)cc1)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000859229910 662146505 /nfs/dbraw/zinc/14/65/05/662146505.db2.gz QLTSEHWRENMHCJ-INIZCTEOSA-N 1 0 383.286 2.617 20 0 GFADRO COc1cc(C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)ccc1Br ZINC000859356309 662156018 /nfs/dbraw/zinc/15/60/18/662156018.db2.gz NXDGLGVIJWDOQJ-HNNXBMFYSA-N 1 0 397.313 2.831 20 0 GFADRO CN(C)C[C@@H]([NH2+]CC(=O)NCc1ccccn1)c1ccc(Cl)c(Cl)c1 ZINC000859846370 662176717 /nfs/dbraw/zinc/17/67/17/662176717.db2.gz RGIFGKOSGJVDIK-QGZVFWFLSA-N 1 0 381.307 2.897 20 0 GFADRO O=c1ccc([C@@H]2OCC[C@H]2[NH2+]C[C@H](O)c2ccc(F)c(Br)c2)c[nH]1 ZINC000859880122 662177409 /nfs/dbraw/zinc/17/74/09/662177409.db2.gz BOTRVAWKAQRAAF-VYDXJSESSA-N 1 0 397.244 2.842 20 0 GFADRO CC[C@H](C(=O)N1CC[N@H+](C[C@@H](C)O)C[C@H]1C)c1ccc(Br)cc1 ZINC000860975455 662222520 /nfs/dbraw/zinc/22/25/20/662222520.db2.gz AXITVIJZBIDTFZ-CPUCHLNUSA-N 1 0 383.330 2.856 20 0 GFADRO COCC[N@@H+]1CCC[C@H]1COC(=O)Cc1sc(SC(F)F)nc1C ZINC000861036309 662225050 /nfs/dbraw/zinc/22/50/50/662225050.db2.gz JSBRTPAKTIWRPI-NSHDSACASA-N 1 0 380.482 2.963 20 0 GFADRO Cc1ccc(NC(=O)N2CCC(C)([NH+]3CCOCC3)CC2)nc1Br ZINC000861084268 662226234 /nfs/dbraw/zinc/22/62/34/662226234.db2.gz WCXCCQFUBASJKA-UHFFFAOYSA-N 1 0 397.317 2.871 20 0 GFADRO CO[C@@H]1C[N@H+](C)[C@@](C)(COC(=O)c2ccccc2I)C1 ZINC000861338957 662241137 /nfs/dbraw/zinc/24/11/37/662241137.db2.gz KNEZCAADDRHMRR-XHDPSFHLSA-N 1 0 389.233 2.557 20 0 GFADRO CO[C@@H]1C[N@H+](C)[C@](C)(COC(=O)c2cnc3ncc(Br)cc3c2)C1 ZINC000861347967 662241528 /nfs/dbraw/zinc/24/15/28/662241528.db2.gz MDSWYVDVZJCRIM-YOEHRIQHSA-N 1 0 394.269 2.658 20 0 GFADRO CO[C@@H]1C[N@H+](C)[C@](C)(COC(=O)c2cn(C(C)(C)C)nc2Br)C1 ZINC000861349616 662241754 /nfs/dbraw/zinc/24/17/54/662241754.db2.gz UOXYFTBSNMGBKZ-ZBEGNZNMSA-N 1 0 388.306 2.667 20 0 GFADRO O=C(CCc1nc(-c2cc(Br)cs2)no1)OCC[NH+]1CCC1 ZINC000861386540 662243267 /nfs/dbraw/zinc/24/32/67/662243267.db2.gz DPRAAGCJLXEFAX-UHFFFAOYSA-N 1 0 386.271 2.742 20 0 GFADRO C[N@@H+]1CCN(CCNC(=O)/C=C/c2csc(C(F)(F)F)c2)CC1(C)C ZINC000861526277 662249058 /nfs/dbraw/zinc/24/90/58/662249058.db2.gz NBLZDKMBAOJQEX-SNAWJCMRSA-N 1 0 375.460 2.922 20 0 GFADRO C[C@H](CNC(=O)C(=O)Nc1cccc(SC(F)(F)F)c1)[N@H+](C)C1CC1 ZINC000861751801 662257712 /nfs/dbraw/zinc/25/77/12/662257712.db2.gz ZGIBITYPDDBUJJ-SNVBAGLBSA-N 1 0 375.416 2.836 20 0 GFADRO C[C@H]([NH2+][C@@H]1CC[C@@H]2SCCS[C@@H]12)[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000862291990 662279240 /nfs/dbraw/zinc/27/92/40/662279240.db2.gz STYSMUHYYOHTSW-OTJKEOIZSA-N 1 0 388.599 2.980 20 0 GFADRO O=C1NCC2(CC[NH+](Cc3c[nH]nc3-c3ccc(Br)s3)CC2)O1 ZINC000862337403 662281635 /nfs/dbraw/zinc/28/16/35/662281635.db2.gz UJBKIIZZFNVFLU-UHFFFAOYSA-N 1 0 397.298 2.975 20 0 GFADRO CC(C)S(=O)(=O)CC[NH2+]Cc1c[nH]nc1-c1ccc(Br)s1 ZINC000862371661 662283456 /nfs/dbraw/zinc/28/34/56/662283456.db2.gz LXKNLMPQZKRVPC-UHFFFAOYSA-N 1 0 392.344 2.814 20 0 GFADRO CC(C)(C)OC(=O)N1CC(F)(F)C[C@H]1C[N@@H+]1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC000862527227 662289777 /nfs/dbraw/zinc/28/97/77/662289777.db2.gz MIIBNIDYIDKHIW-QBSBMQLGSA-N 1 0 378.485 2.617 20 0 GFADRO O=C(NC[C@H]1CC[N@@H+]1C1CCCC1)[C@@H]1Cc2cc(Br)ccc2O1 ZINC000863033718 662309044 /nfs/dbraw/zinc/30/90/44/662309044.db2.gz XPUPYQSFVKJKSW-WBVHZDCISA-N 1 0 379.298 2.886 20 0 GFADRO C[NH+](C)C[C@H](NC(=O)CN1CCSC1=O)c1ccc(Cl)c(Cl)c1 ZINC000863038066 662309296 /nfs/dbraw/zinc/30/92/96/662309296.db2.gz RSPSWIRGOKEQSN-ZDUSSCGKSA-N 1 0 376.309 2.881 20 0 GFADRO Cc1c(Cl)cnn1C[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(F)(F)F ZINC000863330408 662321188 /nfs/dbraw/zinc/32/11/88/662321188.db2.gz LZMVISNYBHSJRS-OPDFLTKYSA-N 1 0 376.810 2.534 20 0 GFADRO O=S(=O)(Cc1noc([C@@H](F)[C@H]2CC[NH2+]C2)n1)c1cc(Cl)ccc1Cl ZINC000863665996 662342754 /nfs/dbraw/zinc/34/27/54/662342754.db2.gz SHESONLMPJNDFK-SDBXPKJASA-N 1 0 394.255 2.970 20 0 GFADRO O=S(=O)(Cc1noc([C@H](F)[C@@H]2CC[NH2+]C2)n1)c1cc(Cl)ccc1Cl ZINC000863665992 662342787 /nfs/dbraw/zinc/34/27/87/662342787.db2.gz SHESONLMPJNDFK-AMIZOPFISA-N 1 0 394.255 2.970 20 0 GFADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)c2nc(Br)sc2Cl)C1 ZINC000864614832 662381588 /nfs/dbraw/zinc/38/15/88/662381588.db2.gz OEJISBIDSJDQSC-SECBINFHSA-N 1 0 396.738 2.646 20 0 GFADRO Cc1cc2c(CC(=O)NCCC[N@@H+]3CCC[C@H](C(N)=O)C3)csc2s1 ZINC000865117601 662399760 /nfs/dbraw/zinc/39/97/60/662399760.db2.gz PJLYFWXKXPRIAD-ZDUSSCGKSA-N 1 0 379.551 2.517 20 0 GFADRO CC(=O)NCC1CCC([NH2+]CC(=O)Nc2ccc(Br)cc2C)CC1 ZINC000865401140 662418975 /nfs/dbraw/zinc/41/89/75/662418975.db2.gz JVXFBBGPVHJRBE-UHFFFAOYSA-N 1 0 396.329 2.981 20 0 GFADRO Cc1ccc(C[NH2+]C[C@H]2CCC[C@@]23NC(=O)N(C)C3=O)c(C)c1Br ZINC000865481869 662424624 /nfs/dbraw/zinc/42/46/24/662424624.db2.gz XABJBHUXVUMJPP-RDTXWAMCSA-N 1 0 394.313 2.876 20 0 GFADRO NC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(NCc2cccnc2Br)c1 ZINC000865499389 662425266 /nfs/dbraw/zinc/42/52/66/662425266.db2.gz SEEPBZAKOACVJV-INIZCTEOSA-N 1 0 389.297 2.906 20 0 GFADRO CC(C)(C)OC(=O)N[C@@H](C[NH2+]CCc1cn2c(n1)SCC2)CC(F)F ZINC000865530579 662427250 /nfs/dbraw/zinc/42/72/50/662427250.db2.gz NKBXDPHUOQXVEU-GFCCVEGCSA-N 1 0 376.473 2.669 20 0 GFADRO CC(=O)NCC1CCC([NH2+]C[C@H](CO)Cc2cccc(Br)c2)CC1 ZINC000865543430 662428035 /nfs/dbraw/zinc/42/80/35/662428035.db2.gz LSTSSPZULXZOIY-URSIVYNOSA-N 1 0 397.357 2.885 20 0 GFADRO O=C(c1cc(Br)cn2ccnc12)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000865576953 662430196 /nfs/dbraw/zinc/43/01/96/662430196.db2.gz YBABYXGPUYZTJY-CQSZACIVSA-N 1 0 377.286 2.797 20 0 GFADRO CC(C)[C@H](CNC(=O)c1cc2ccnc(Cl)c2s1)N1CC[NH+](C)CC1 ZINC000865786287 662443366 /nfs/dbraw/zinc/44/33/66/662443366.db2.gz IUSJAKKZRIHKGR-AWEZNQCLSA-N 1 0 380.945 2.952 20 0 GFADRO COC/C=C\C(=O)NC1CC[NH+](CCOc2ccc(Br)cc2)CC1 ZINC000865958949 662453612 /nfs/dbraw/zinc/45/36/12/662453612.db2.gz FGDLNIQMUMUYBV-IHWYPQMZSA-N 1 0 397.313 2.611 20 0 GFADRO O=C(c1cc(Br)cn2ccnc12)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000866009746 662456203 /nfs/dbraw/zinc/45/62/03/662456203.db2.gz PBIRHIYLASSGAZ-ZDUSSCGKSA-N 1 0 377.286 2.655 20 0 GFADRO CN(C(=O)c1cc(Br)ncc1Br)[C@@H]1CCC[N@H+](C)C1 ZINC000866068754 662459194 /nfs/dbraw/zinc/45/91/94/662459194.db2.gz YIDDNWSLLGHJDC-SECBINFHSA-N 1 0 391.107 2.773 20 0 GFADRO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)c2cc(Br)cn3ccnc23)C1 ZINC000866280248 662466689 /nfs/dbraw/zinc/46/66/89/662466689.db2.gz QICQVBNONAXGPX-AWEZNQCLSA-N 1 0 391.313 2.901 20 0 GFADRO CSc1ccccc1[C@@H]([NH2+]C[C@@]1(O)CCS(=O)(=O)C1)c1ccccc1 ZINC000866365545 662469028 /nfs/dbraw/zinc/46/90/28/662469028.db2.gz XRVBXOUVNRFQQN-OALUTQOASA-N 1 0 377.531 2.637 20 0 GFADRO Cc1ccc(Br)c(CS(=O)(=O)NC2CC[NH+](C3CC3)CC2)c1 ZINC000866443922 662473562 /nfs/dbraw/zinc/47/35/62/662473562.db2.gz WGJAIWIRYMMWQT-UHFFFAOYSA-N 1 0 387.343 2.804 20 0 GFADRO C[C@@H]([NH2+]CC[C@@H]1CCCS1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000866478260 662475773 /nfs/dbraw/zinc/47/57/73/662475773.db2.gz GJIDLSLMPXHCID-WBVHZDCISA-N 1 0 384.567 2.644 20 0 GFADRO O=C1OC[C@]2(C[NH2+]C3CC(c4ccc(Br)cc4)C3)COCCN12 ZINC000866522192 662478698 /nfs/dbraw/zinc/47/86/98/662478698.db2.gz SWVASWAHPMWRSG-PGEKIEPBSA-N 1 0 381.270 2.506 20 0 GFADRO CNS(=O)(=O)c1ccc(CC[NH2+][C@H](C)c2ccc(Br)nc2)cc1 ZINC000866579299 662481510 /nfs/dbraw/zinc/48/15/10/662481510.db2.gz PXLMGQCREIRYPT-GFCCVEGCSA-N 1 0 398.326 2.646 20 0 GFADRO Brc1cccc2c1C[C@@H]([NH2+]C1CCN(C[C@H]3CCCO3)CC1)CO2 ZINC000866594121 662482787 /nfs/dbraw/zinc/48/27/87/662482787.db2.gz AGXBYTIQDZMATL-HZPDHXFCSA-N 1 0 395.341 2.986 20 0 GFADRO Brc1cccc2c1C[C@@H]([NH2+]C1CCN([C@@H]3CCOC3)CC1)CO2 ZINC000866594738 662482885 /nfs/dbraw/zinc/48/28/85/662482885.db2.gz MGZDSVRRALAYLO-HUUCEWRRSA-N 1 0 381.314 2.596 20 0 GFADRO CCCCN(C1CC(C)(C)[NH2+]C(C)(C)C1)S(=O)(=O)N=[S@](C)(=O)CC ZINC000866601022 662483361 /nfs/dbraw/zinc/48/33/61/662483361.db2.gz NXOLWIUACPRMNH-HSZRJFAPSA-N 1 0 381.608 2.760 20 0 GFADRO Brc1ccc2c(c1)[C@@H]1[C@H](C2)[C@@H]1[NH2+]C1CCN([C@H]2CCOC2)CC1 ZINC000866609582 662483957 /nfs/dbraw/zinc/48/39/57/662483957.db2.gz HUMXJIGMZYHLCU-KANFNMMFSA-N 1 0 377.326 2.930 20 0 GFADRO Cn1ncc(I)c1C[NH2+][C@H]1CCc2ccccc2OC1 ZINC000866630990 662485577 /nfs/dbraw/zinc/48/55/77/662485577.db2.gz BCYXTUYRDLVKLU-LBPRGKRZSA-N 1 0 383.233 2.508 20 0 GFADRO O=S(=O)(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(Cl)cc1Br ZINC000866808868 662500437 /nfs/dbraw/zinc/50/04/37/662500437.db2.gz CDRDHBCAWXDKOG-YHPBZONMSA-N 1 0 393.734 2.911 20 0 GFADRO O=S(=O)(/C=C\c1ccc(Br)cc1)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000866809935 662500753 /nfs/dbraw/zinc/50/07/53/662500753.db2.gz ONWJLBKXMYUSNA-VGESGWCUSA-N 1 0 385.327 2.870 20 0 GFADRO COCCC1(NS(=O)(=O)Cc2cc(Cl)cc(Cl)c2)CC[NH2+]CC1 ZINC000866822148 662502089 /nfs/dbraw/zinc/50/20/89/662502089.db2.gz XOXXNWWBYQZESQ-UHFFFAOYSA-N 1 0 381.325 2.572 20 0 GFADRO O=S(=O)(c1ccc(Br)cc1Cl)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000866829929 662502564 /nfs/dbraw/zinc/50/25/64/662502564.db2.gz AHKSQPJBNMMFRB-RYUDHWBXSA-N 1 0 379.707 2.618 20 0 GFADRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1S(=O)(=O)c1cc2nc(Cl)ncc2s1 ZINC000867261893 662536716 /nfs/dbraw/zinc/53/67/16/662536716.db2.gz ONBIHBOSMFIWFZ-GHMZBOCLSA-N 1 0 386.930 2.592 20 0 GFADRO Cc1nc(-c2ccc(S(=O)(=O)N3CC[C@H]4[C@H](CC[N@H+]4C)C3)s2)cs1 ZINC000867811347 662578942 /nfs/dbraw/zinc/57/89/42/662578942.db2.gz BKWCQJVTRMINFM-OCCSQVGLSA-N 1 0 383.564 2.895 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(S(=O)(=O)c3cc4ccc(Cl)nc4cc3F)CC[C@H]21 ZINC000867811560 662579227 /nfs/dbraw/zinc/57/92/27/662579227.db2.gz CXEQCPSBQGOOIC-IUODEOHRSA-N 1 0 383.876 2.742 20 0 GFADRO Cc1noc([C@@H]2CCCN(C(=O)[C@H]([NH3+])c3cccc(Br)c3)C2)n1 ZINC000867927744 662587719 /nfs/dbraw/zinc/58/77/19/662587719.db2.gz MYFMCBVOOBGQJN-TZMCWYRMSA-N 1 0 379.258 2.547 20 0 GFADRO COCCC1(NC(=O)c2ccc(Cl)c(Br)c2)CC[NH2+]CC1 ZINC000868044216 662592380 /nfs/dbraw/zinc/59/23/80/662592380.db2.gz IVSUZNGSRWKWER-UHFFFAOYSA-N 1 0 375.694 2.991 20 0 GFADRO [NH3+][C@H]1C[C@H](CNC(=O)Nc2ccc(CCn3cc(Br)cn3)cc2)C1 ZINC000868129164 662595352 /nfs/dbraw/zinc/59/53/52/662595352.db2.gz QIQJDBBHGBXBPV-CTYIDZIISA-N 1 0 392.301 2.747 20 0 GFADRO COC(=O)c1cc(NC(=O)N2C3CCC2(C[NH3+])CC3)ccc1Br ZINC000868143174 662596022 /nfs/dbraw/zinc/59/60/22/662596022.db2.gz OQSQNUZNGRUCEF-UHFFFAOYSA-N 1 0 382.258 2.723 20 0 GFADRO O=C(Nc1ccc2nccnc2c1Br)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000868157665 662596972 /nfs/dbraw/zinc/59/69/72/662596972.db2.gz GTYDSEDKUNKMQH-GWCFXTLKSA-N 1 0 376.258 2.751 20 0 GFADRO COC[C@H](NC(=O)N[C@@H](CC[NH3+])C(F)(F)F)c1cccc(Br)c1 ZINC000868166976 662597354 /nfs/dbraw/zinc/59/73/54/662597354.db2.gz ODTUWZZANUTIEM-RYUDHWBXSA-N 1 0 398.223 2.716 20 0 GFADRO COC1CC[NH+](C(C)(C)CNC(=O)NCCSCCC(F)(F)F)CC1 ZINC000868224122 662598993 /nfs/dbraw/zinc/59/89/93/662598993.db2.gz ARTNSMUAYWSOEA-UHFFFAOYSA-N 1 0 385.496 2.861 20 0 GFADRO COC[C@H](NC(=O)NC[C@H]1CCC[N@H+](C)C1)c1cccc(Br)c1 ZINC000868367086 662603216 /nfs/dbraw/zinc/60/32/16/662603216.db2.gz DBOIWOYXJNNKBT-CJNGLKHVSA-N 1 0 384.318 2.778 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)N[C@@H]2COc3cccc(Br)c3C2)CC[N@@H+]1C ZINC000868374103 662603582 /nfs/dbraw/zinc/60/35/82/662603582.db2.gz NFVDNHYQPGMTOV-UPJWGTAASA-N 1 0 382.302 2.535 20 0 GFADRO COC[C@H](NC(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1)c1cccc(Br)c1 ZINC000869148067 662631798 /nfs/dbraw/zinc/63/17/98/662631798.db2.gz VKFNENVTOXVJGB-FUHWJXTLSA-N 1 0 396.329 2.874 20 0 GFADRO CC1([NH+]2CCCC2)CCN(C(=O)c2nccn3c(Br)cnc23)CC1 ZINC000870256672 662680977 /nfs/dbraw/zinc/68/09/77/662680977.db2.gz LAUOHTIOHMMYAU-UHFFFAOYSA-N 1 0 392.301 2.582 20 0 GFADRO [NH3+][C@@H](C(=O)NCCN1CCc2sccc2C1)c1cccc(Br)c1 ZINC000870873085 662704166 /nfs/dbraw/zinc/70/41/66/662704166.db2.gz YIKKDMCDQVVJCI-MRXNPFEDSA-N 1 0 394.338 2.685 20 0 GFADRO [NH3+][C@@H](C(=O)N1CC[C@@H](OCc2ccccn2)C1)c1cccc(Br)c1 ZINC000870905865 662707604 /nfs/dbraw/zinc/70/76/04/662707604.db2.gz FSFBCUAADUMKNU-IAGOWNOFSA-N 1 0 390.281 2.662 20 0 GFADRO O=C(c1cc(Br)cn2ccnc12)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000870914704 662708123 /nfs/dbraw/zinc/70/81/23/662708123.db2.gz RCAQDZDUJHBVRO-STQMWFEESA-N 1 0 377.286 2.559 20 0 GFADRO [NH3+][C@H]1CC[C@H](C(=O)NCc2noc(-c3cccc(Br)c3)n2)CC1 ZINC000870931742 662708714 /nfs/dbraw/zinc/70/87/14/662708714.db2.gz LWUXEQPGNBYHKA-MJHDQNEOSA-N 1 0 379.258 2.633 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)c2cc(Br)cn3ccnc23)C[C@H]1c1ccccc1 ZINC000870943766 662710031 /nfs/dbraw/zinc/71/00/31/662710031.db2.gz VACVYLMKICUVAA-PBHICJAKSA-N 1 0 399.292 2.911 20 0 GFADRO Cc1cc(COc2ccc(C(=O)NC[C@H]3C[C@@H]([NH3+])C3)cc2Br)on1 ZINC000870968048 662711720 /nfs/dbraw/zinc/71/17/20/662711720.db2.gz JSHFLLMJDJCUEV-BJHJDKERSA-N 1 0 394.269 2.792 20 0 GFADRO Cc1ccc(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1I ZINC000870973884 662711817 /nfs/dbraw/zinc/71/18/17/662711817.db2.gz CFSFJWKLJVCKGP-UBSAEIQESA-N 1 0 384.261 2.860 20 0 GFADRO O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)N[C@@H]1COc2cccc(Br)c2C1 ZINC000871007937 662712664 /nfs/dbraw/zinc/71/26/64/662712664.db2.gz LXHZIXHFDDAUTB-GSPSYOTPSA-N 1 0 379.298 2.790 20 0 GFADRO Cn1c(-c2cc(F)ccc2Br)nnc1N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000871043045 662713982 /nfs/dbraw/zinc/71/39/82/662713982.db2.gz OMUSZPNTXOOHNH-IAQYHMDHSA-N 1 0 394.292 2.914 20 0 GFADRO Cn1c(-c2ccc(Br)s2)nnc1N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000871046218 662714232 /nfs/dbraw/zinc/71/42/32/662714232.db2.gz WBVKBQDZOFONQS-QWRGUYRKSA-N 1 0 382.331 2.837 20 0 GFADRO C[NH+](C)C1(C)CCC(NC(=O)CNC(=O)c2ccc(Br)cc2)CC1 ZINC000871355477 662720348 /nfs/dbraw/zinc/72/03/48/662720348.db2.gz IQPHEDIGGKWNDD-UHFFFAOYSA-N 1 0 396.329 2.558 20 0 GFADRO COc1cc(OC)c(NC(=O)N2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)cc1Cl ZINC000871674247 662730829 /nfs/dbraw/zinc/73/08/29/662730829.db2.gz UVZSKEYMCYLFTL-DTWKUNHWSA-N 1 0 381.782 2.958 20 0 GFADRO [NH3+]C[C@H]1CN(S(=O)(=O)c2ccc(Cl)c(F)c2Cl)C[C@H]1C(F)(F)F ZINC000871814084 662735521 /nfs/dbraw/zinc/73/55/21/662735521.db2.gz PCRFFVYGZOIAAD-NKWVEPMBSA-N 1 0 395.205 2.890 20 0 GFADRO C[C@]12C[NH2+]C[C@H]1CN(S(=O)(=O)c1ccc(C(F)(F)C(F)(F)F)cc1)C2 ZINC000871815725 662735632 /nfs/dbraw/zinc/73/56/32/662735632.db2.gz QIPIKVMFOFRVIC-WCQYABFASA-N 1 0 384.370 2.571 20 0 GFADRO CN(C)c1ccc(Br)c(S(=O)(=O)N(C)CCCCCC[NH3+])c1 ZINC000871821412 662735791 /nfs/dbraw/zinc/73/57/91/662735791.db2.gz STTFNPFCTRYPLA-UHFFFAOYSA-N 1 0 392.363 2.655 20 0 GFADRO O=C(C[NH2+][C@H](c1cccc(Br)c1)[C@H]1CCOC1)NCC(F)(F)F ZINC000872027166 662754117 /nfs/dbraw/zinc/75/41/17/662754117.db2.gz IEHGWMDEEZTIIF-SMDDNHRTSA-N 1 0 395.219 2.795 20 0 GFADRO CCn1cnnc1CC[NH2+][C@H](c1cccc(Br)c1)[C@H]1CCOC1 ZINC000872045413 662754659 /nfs/dbraw/zinc/75/46/59/662754659.db2.gz LNOLLNFFBFKTHL-WMLDXEAASA-N 1 0 379.302 2.970 20 0 GFADRO Brc1cccc([C@@H]([NH2+]CC2(N3CCOCC3)CC2)[C@@H]2CCOC2)c1 ZINC000872065510 662755084 /nfs/dbraw/zinc/75/50/84/662755084.db2.gz CLQQWORKLQFRMU-SJLPKXTDSA-N 1 0 395.341 2.981 20 0 GFADRO OCCN1CCCC[C@@H]1C[NH2+][C@H](c1cccc(Br)c1)[C@@H]1CCOC1 ZINC000872075477 662755268 /nfs/dbraw/zinc/75/52/68/662755268.db2.gz RMYNJIMWGJBWJH-BHIYHBOVSA-N 1 0 397.357 2.963 20 0 GFADRO C[C@@H]([NH2+]CC1C[C@H]2CC[C@@H](C1)S2(=O)=O)c1nc(Br)cs1 ZINC000872118644 662756235 /nfs/dbraw/zinc/75/62/35/662756235.db2.gz DPTRWVLRDBUYKJ-UBJLHIIHSA-N 1 0 379.345 2.912 20 0 GFADRO [NH3+]C[C@@]1(c2nc(Cc3c(F)ccc(Br)c3F)no2)CCCOC1 ZINC000872182275 662757471 /nfs/dbraw/zinc/75/74/71/662757471.db2.gz WBADPRDXHMDWGQ-HNNXBMFYSA-N 1 0 388.212 2.708 20 0 GFADRO COC[C@H]([NH2+]C[C@@H](O)COCc1ccco1)c1cccc(Br)c1 ZINC000872236567 662758852 /nfs/dbraw/zinc/75/88/52/662758852.db2.gz RRDPVNYLWUAFOT-WBVHZDCISA-N 1 0 384.270 2.897 20 0 GFADRO CCOC1CC2(C[C@@H]2[NH2+]CCS(=O)(=O)c2cccc(Br)c2)C1 ZINC000872251196 662759292 /nfs/dbraw/zinc/75/92/92/662759292.db2.gz OZBULFRVUIUVCJ-SIWZUTFBSA-N 1 0 388.327 2.770 20 0 GFADRO CCOC(=O)[C@@H](Cc1cc(Cl)cc(Cl)c1)NC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000872274155 662759722 /nfs/dbraw/zinc/75/97/22/662759722.db2.gz NCZDWXDLXSRQKD-OPNLHGRLSA-N 1 0 385.291 2.711 20 0 GFADRO COc1ccc(S(=O)(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3C)c(Cl)c1Cl ZINC000872662341 662784191 /nfs/dbraw/zinc/78/41/91/662784191.db2.gz DNZQQVXIGWTDAF-GHMZBOCLSA-N 1 0 379.309 2.859 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)C[C@H]1C(F)(F)F ZINC000873105233 662800012 /nfs/dbraw/zinc/80/00/12/662800012.db2.gz TZTZIWPKFNPARI-VXNVDRBHSA-N 1 0 384.185 2.528 20 0 GFADRO COCCO[C@H]1COCC[C@H]1[NH2+]Cc1c(Br)c2ccccc2n1C ZINC000873109491 662800030 /nfs/dbraw/zinc/80/00/30/662800030.db2.gz UNRHUBMUBHRRAD-PBHICJAKSA-N 1 0 397.313 2.851 20 0 GFADRO CO[C@H]1COCC[C@H]1C[NH2+]Cc1cccc(F)c1I ZINC000873131109 662800997 /nfs/dbraw/zinc/80/09/97/662800997.db2.gz MBNPAFDCCKRFCM-GWCFXTLKSA-N 1 0 379.213 2.571 20 0 GFADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]CC1(OC(C)C)CCC1 ZINC000873166524 662802404 /nfs/dbraw/zinc/80/24/04/662802404.db2.gz FDXVDYZQIKIXGS-CQSZACIVSA-N 1 0 389.949 2.642 20 0 GFADRO COc1ccc(Br)c(C[NH2+]CC2C[C@H]3CC[C@@H](C2)S3(=O)=O)c1 ZINC000873171441 662802767 /nfs/dbraw/zinc/80/27/67/662802767.db2.gz KPTKAMREUWLCSP-PHTAMDTFSA-N 1 0 388.327 2.903 20 0 GFADRO Brc1cnc(CN[C@]23CCC[C@H]2[NH2+]CC3)c(Br)c1 ZINC000873231123 662804315 /nfs/dbraw/zinc/80/43/15/662804315.db2.gz IBHJAVXIELKAPI-OLZOCXBDSA-N 1 0 375.108 2.981 20 0 GFADRO COc1cc(OC)c(NC(=O)N[C@]23CCC[C@H]2[NH2+]CC3)cc1Br ZINC000873319973 662805417 /nfs/dbraw/zinc/80/54/17/662805417.db2.gz NGHHPKRIXYNBKY-ZBFHGGJFSA-N 1 0 384.274 2.872 20 0 GFADRO O=C(Nc1ccc2nccnc2c1Br)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000873324278 662805489 /nfs/dbraw/zinc/80/54/89/662805489.db2.gz LFQFDNDSJWOJCF-BLLLJJGKSA-N 1 0 376.258 2.798 20 0 GFADRO Nc1cc(C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)cc(Br)n1 ZINC000873811271 662814953 /nfs/dbraw/zinc/81/49/53/662814953.db2.gz DIIMWFNIVZNKEI-GFCCVEGCSA-N 1 0 379.258 2.586 20 0 GFADRO CCn1ncc(C(=O)NC[C@H](c2cccc(OC)c2)[NH+](C)C)c1Br ZINC000873843334 662816017 /nfs/dbraw/zinc/81/60/17/662816017.db2.gz KXLNKFLNBDOULM-OAHLLOKOSA-N 1 0 395.301 2.707 20 0 GFADRO CCc1ccc(Br)c(NC(=O)C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000873906862 662817945 /nfs/dbraw/zinc/81/79/45/662817945.db2.gz LYCMSOOOROQZKQ-AGUYFDCRSA-N 1 0 394.313 2.691 20 0 GFADRO CCn1ncc(C(=O)Nc2cccc(OCC[NH+](C)C)c2)c1Br ZINC000874258613 662826808 /nfs/dbraw/zinc/82/68/08/662826808.db2.gz PIQCMNNMNOTJCG-UHFFFAOYSA-N 1 0 381.274 2.858 20 0 GFADRO C[C@@H]1CN(C(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)CC[C@H](C(F)(F)F)O1 ZINC000874561983 662833687 /nfs/dbraw/zinc/83/36/87/662833687.db2.gz LTRVFPKMPCVNMK-BPLDGKMQSA-N 1 0 380.476 2.772 20 0 GFADRO COc1cc(C(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3C)cc(Br)c1OC ZINC000874826638 662837480 /nfs/dbraw/zinc/83/74/80/662837480.db2.gz AXWRNSYSKQHQTH-KGLIPLIRSA-N 1 0 383.286 2.775 20 0 GFADRO COc1cc(C(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3C)cc(OC)c1Br ZINC000874849805 662838278 /nfs/dbraw/zinc/83/82/78/662838278.db2.gz YVKICXNZKRTVNE-OLZOCXBDSA-N 1 0 383.286 2.775 20 0 GFADRO C[NH+](C)C1CCN(CCNC(=O)NCc2ccc(C(F)(F)F)s2)CC1 ZINC000875428261 662845830 /nfs/dbraw/zinc/84/58/30/662845830.db2.gz GMMDBCBPBPIUNU-UHFFFAOYSA-N 1 0 378.464 2.592 20 0 GFADRO CC[C@@H](C[C@H](C)O)NC(=O)NCCc1cn2cc(Br)cc(C)c2n1 ZINC000875488354 662846780 /nfs/dbraw/zinc/84/67/80/662846780.db2.gz WBILGFVRBJTYKE-JSGCOSHPSA-N 1 0 397.317 2.796 20 0 GFADRO COC(=O)C[C@H](NC(=O)/C=C\[C@H]1CCC[NH2+]C1)c1ccc(Br)cc1 ZINC000876597469 662863190 /nfs/dbraw/zinc/86/31/90/662863190.db2.gz ZEWYQSNJGLHKCE-YHURKNBJSA-N 1 0 395.297 2.725 20 0 GFADRO C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)Nc1ccc(Sc2nncn2C)c(Cl)c1 ZINC000876632541 662863908 /nfs/dbraw/zinc/86/39/08/662863908.db2.gz VXSVJZLYNMOHIT-NAGRZINJSA-N 1 0 377.901 2.970 20 0 GFADRO O=C(/C=C\[C@@H]1CCC[NH2+]C1)Nc1ncn(Cc2cccc(Br)c2)n1 ZINC000876632536 662863909 /nfs/dbraw/zinc/86/39/09/662863909.db2.gz VUGUXFIYIPHUEO-FWWRYZNZSA-N 1 0 390.285 2.583 20 0 GFADRO Cc1nc(C2CC[NH2+]CC2)sc1C(=O)N1C[C@H](C)O[C@H](C(F)(F)F)C1 ZINC000876684140 662864663 /nfs/dbraw/zinc/86/46/63/662864663.db2.gz AYYCRCAYMXGOAR-CABZTGNLSA-N 1 0 377.432 2.710 20 0 GFADRO Cc1nc(C2CC[NH2+]CC2)sc1C(=O)N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 ZINC000876684139 662864680 /nfs/dbraw/zinc/86/46/80/662864680.db2.gz AYYCRCAYMXGOAR-BXKDBHETSA-N 1 0 377.432 2.710 20 0 GFADRO Cn1ncc(C[NH3+])c1C(=O)N1CCC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000876704849 662864980 /nfs/dbraw/zinc/86/49/80/662864980.db2.gz RZPFMCLDSCNJSZ-CYBMUJFWSA-N 1 0 383.279 2.869 20 0 GFADRO Cn1ncc2cc(C[NH+]3CCC(n4cc(Br)cn4)CC3)cnc21 ZINC000876726886 662865471 /nfs/dbraw/zinc/86/54/71/662865471.db2.gz BHTWIUGTRJTHFL-UHFFFAOYSA-N 1 0 375.274 2.764 20 0 GFADRO C[N@H+](C[C@H]1CCCCN(C(=O)OC(C)(C)C)C1)CC(C)(C)S(C)(=O)=O ZINC000876780212 662866274 /nfs/dbraw/zinc/86/62/74/662866274.db2.gz SGJNWKUYGHHMOD-OAHLLOKOSA-N 1 0 376.563 2.779 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2nc(Br)sc2Cl)CC1 ZINC000876866299 662867552 /nfs/dbraw/zinc/86/75/52/662867552.db2.gz CAGMOPVKTGWWNB-SCZZXKLOSA-N 1 0 394.722 2.527 20 0 GFADRO O=C(NCc1ccc(I)c(Cl)c1)[C@@H](F)[C@@H]1CC[NH2+]C1 ZINC000876891793 662867614 /nfs/dbraw/zinc/86/76/14/662867614.db2.gz GEIZGGKNBIUTCK-SKDRFNHKSA-N 1 0 396.631 2.508 20 0 GFADRO O=C(/C=C/[C@@H]1CCC[NH2+]C1)NCc1noc(-c2cccc(Br)c2)n1 ZINC000876910876 662868014 /nfs/dbraw/zinc/86/80/14/662868014.db2.gz OTMGILRZZMYAMK-SYTKJHMZSA-N 1 0 391.269 2.671 20 0 GFADRO CCCS(=O)(=O)N1CCC([NH2+]Cc2cc(Cl)cc(Cl)c2N)CC1 ZINC000876930861 662868401 /nfs/dbraw/zinc/86/84/01/662868401.db2.gz FEVLOEGILIDTQU-UHFFFAOYSA-N 1 0 380.341 2.869 20 0 GFADRO O=C([C@H](F)[C@@H]1CC[NH2+]C1)N1CCc2[nH]c3ccc(Br)cc3c2C1 ZINC000876963520 662868716 /nfs/dbraw/zinc/86/87/16/662868716.db2.gz QLQOLXKIEYYREN-QLJPJBMISA-N 1 0 380.261 2.763 20 0 GFADRO COC(=O)c1sc2c(c1Br)CN(C(=O)CCC13CC(C1)C[NH2+]3)C2 ZINC000876980933 662869058 /nfs/dbraw/zinc/86/90/58/662869058.db2.gz JSEZYQKACYIOPC-UHFFFAOYSA-N 1 0 399.310 2.672 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)c2cc(Cl)c3c(c2)OCCO3)CC[C@H]1C(F)(F)F ZINC000877018393 662869715 /nfs/dbraw/zinc/86/97/15/662869715.db2.gz WAGFEIRSGXNTKD-GHMZBOCLSA-N 1 0 378.778 2.711 20 0 GFADRO COc1cnc(F)c(C[NH2+]CCNC(=O)c2cccc(Br)c2)c1 ZINC000877033357 662869969 /nfs/dbraw/zinc/86/99/69/662869969.db2.gz WWUTVDMBOWJKOU-UHFFFAOYSA-N 1 0 382.233 2.511 20 0 GFADRO O=S1(=O)CCC(C[NH2+][C@H]2CCN(c3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000877041340 662870086 /nfs/dbraw/zinc/87/00/86/662870086.db2.gz FTVIYQUIJRYYSC-HNNXBMFYSA-N 1 0 376.444 2.699 20 0 GFADRO CC(C)(C)NS(=O)(=O)C1(C[NH2+]C[C@@H](O)c2cc3ccccc3s2)CC1 ZINC000877093464 662871017 /nfs/dbraw/zinc/87/10/17/662871017.db2.gz BCTYYMNFOMYABM-CQSZACIVSA-N 1 0 382.551 2.775 20 0 GFADRO C[C@H]([NH3+])CN(C)C(=O)Cc1ccc(NC(=O)c2ccc(Br)o2)cc1 ZINC000877099396 662871097 /nfs/dbraw/zinc/87/10/97/662871097.db2.gz FQQHRIRCSXRWDG-NSHDSACASA-N 1 0 394.269 2.643 20 0 GFADRO C[C@H](CNC(=O)OC(C)(C)C)C[NH2+]Cc1cnn2cc(Br)cnc12 ZINC000877113233 662871179 /nfs/dbraw/zinc/87/11/79/662871179.db2.gz DYBNJEAWJPQUJM-NSHDSACASA-N 1 0 398.305 2.742 20 0 GFADRO O=S(=O)(Cc1ccccc1C[NH2+]C[C@@H]1CC1(Cl)Cl)N1CCCC1 ZINC000877117450 662871281 /nfs/dbraw/zinc/87/12/81/662871281.db2.gz AHFUQCVHRVINOS-HNNXBMFYSA-N 1 0 377.337 2.896 20 0 GFADRO O=S(=O)(c1ccc(OCC[NH2+]Cc2ccc(Cl)nn2)cc1)C(F)(F)F ZINC000877118203 662871331 /nfs/dbraw/zinc/87/13/31/662871331.db2.gz RJNGIGNIJCMKTC-UHFFFAOYSA-N 1 0 395.790 2.592 20 0 GFADRO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)N1C2CCC1(C[NH3+])CC2 ZINC000877189766 662872055 /nfs/dbraw/zinc/87/20/55/662872055.db2.gz SKHGCBRUGPXQMP-UHFFFAOYSA-N 1 0 391.265 2.960 20 0 GFADRO COCCC1(NC(=O)c2ccc(Br)c(F)c2F)CC[NH2+]CC1 ZINC000877268516 662872816 /nfs/dbraw/zinc/87/28/16/662872816.db2.gz INMOTLAARWBHBS-UHFFFAOYSA-N 1 0 377.229 2.616 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)c2nc(Br)sc2Cl)C[C@H]1C(F)(F)F ZINC000877354184 662874144 /nfs/dbraw/zinc/87/41/44/662874144.db2.gz CIXYNESFJIHOPY-RFZPGFLSSA-N 1 0 392.628 2.768 20 0 GFADRO [NH3+][C@@H](C(=O)NCCOC(F)(F)C(F)(F)F)c1cccc(Br)c1 ZINC000877313062 662873404 /nfs/dbraw/zinc/87/34/04/662873404.db2.gz QASMJDSTZRESBQ-SECBINFHSA-N 1 0 391.134 2.737 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)c2cc(Cl)nc(N3CCCC3)c2)C[C@H]1C(F)(F)F ZINC000877357993 662874325 /nfs/dbraw/zinc/87/43/25/662874325.db2.gz AOQVLHRHFHYIHG-VXGBXAGGSA-N 1 0 376.810 2.544 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)Cc2cn3cc(Cl)cc(Cl)c3n2)C[C@H]1C(F)(F)F ZINC000877361389 662874555 /nfs/dbraw/zinc/87/45/55/662874555.db2.gz SCWZFURDZWUGHM-LDYMZIIASA-N 1 0 395.212 2.779 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)c2n[nH]c3ccc(Br)cc32)C[C@H]1C(F)(F)F ZINC000877367165 662874838 /nfs/dbraw/zinc/87/48/38/662874838.db2.gz YYRUAMQEZKPZDA-OIBJUYFYSA-N 1 0 391.191 2.535 20 0 GFADRO CCOc1c(Cl)cc(C(=O)N2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)cc1OC ZINC000877369358 662874922 /nfs/dbraw/zinc/87/49/22/662874922.db2.gz YIUMCXMPYHKCBB-WDEREUQCSA-N 1 0 380.794 2.957 20 0 GFADRO C[C@]12C[NH2+]C[C@H]1CN(C(=O)C1(c3ccc(Br)cc3)CCOCC1)C2 ZINC000877376222 662875036 /nfs/dbraw/zinc/87/50/36/662875036.db2.gz PEFIHZWMRVRZTD-MAUKXSAKSA-N 1 0 393.325 2.565 20 0 GFADRO Cc1nc(C(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)nn1-c1c(Cl)cccc1Cl ZINC000877376770 662875104 /nfs/dbraw/zinc/87/51/04/662875104.db2.gz ORXBLPXXTXYIGP-APPDUMDISA-N 1 0 380.279 2.564 20 0 GFADRO COc1cc(I)ccc1C(=O)N(C)CCCCCC[NH3+] ZINC000877434510 662875899 /nfs/dbraw/zinc/87/58/99/662875899.db2.gz IFKVZQBRHXZVQT-UHFFFAOYSA-N 1 0 390.265 2.891 20 0 GFADRO O=S1(=O)CCC(C[NH2+][C@@H]2CCN(c3ccc(Cl)cc3Cl)C2)CC1 ZINC000877469368 662876485 /nfs/dbraw/zinc/87/64/85/662876485.db2.gz TULMOBKGXMSTHI-CQSZACIVSA-N 1 0 377.337 2.987 20 0 GFADRO CN1CC[C@@H]([NH2+]CC(=O)NCC(F)F)C[C@H]1c1ccc(Br)cc1 ZINC000877494840 662877183 /nfs/dbraw/zinc/87/71/83/662877183.db2.gz OMLXOLFBZDZBJH-KGLIPLIRSA-N 1 0 390.272 2.555 20 0 GFADRO COCC[NH+](CCOC)C1CCN(Cc2c(Cl)cncc2Cl)CC1 ZINC000877519916 662877964 /nfs/dbraw/zinc/87/79/64/662877964.db2.gz LYGZRZVXXJTOCK-UHFFFAOYSA-N 1 0 376.328 2.948 20 0 GFADRO CC(=O)NCC1CCC([NH2+][C@H](CO)c2ccc(Br)c(F)c2)CC1 ZINC000877545102 662878510 /nfs/dbraw/zinc/87/85/10/662878510.db2.gz ARAAOPYAAUZBRP-MKTAYPAQSA-N 1 0 387.293 2.906 20 0 GFADRO COC(=O)c1ccc(CN2CCOC3(CC[NH+](C)CC3)C2)cc1Br ZINC000877607771 662879833 /nfs/dbraw/zinc/87/98/33/662879833.db2.gz LFKSJPBSXWWSRZ-UHFFFAOYSA-N 1 0 397.313 2.532 20 0 GFADRO CC(C)(C)OC(=O)N[C@@H]1C[C@H]([NH2+]CC[S@@](=O)CC(F)(F)F)C12CCC2 ZINC000877622082 662880134 /nfs/dbraw/zinc/88/01/34/662880134.db2.gz FGVXKADFCZJPFE-KARRYYGYSA-N 1 0 384.464 2.723 20 0 GFADRO CO[C@@]1(C[N@@H+]2CC[C@@]3(C)[C@@H](C2)C3(Br)Br)CCOC1 ZINC000877622887 662880175 /nfs/dbraw/zinc/88/01/75/662880175.db2.gz FPZPJABCTVVTSZ-GRYCIOLGSA-N 1 0 383.124 2.620 20 0 GFADRO CCOC(=O)[C@]1(C[NH2+]Cc2cc(Br)cnc2Cl)CCCOC1 ZINC000877698021 662882295 /nfs/dbraw/zinc/88/22/95/662882295.db2.gz FQFDJMPIWNOUHJ-HNNXBMFYSA-N 1 0 391.693 2.947 20 0 GFADRO COC(=O)[C@@H]1OCC[C@@H]1C[NH2+]Cc1cc(OC(F)F)ccc1Br ZINC000877725479 662882557 /nfs/dbraw/zinc/88/25/57/662882557.db2.gz COBCCHKWKVRHOR-NOZJJQNGSA-N 1 0 394.212 2.718 20 0 GFADRO COc1sc(CN2CCC([NH+]3CCN(C)CC3)CC2)cc1Br ZINC000877747693 662882899 /nfs/dbraw/zinc/88/28/99/662882899.db2.gz YGKJVVWSSOQSMW-UHFFFAOYSA-N 1 0 388.375 2.731 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C[NH+]1CCC(CO)(CO)CC1 ZINC000877797733 662884291 /nfs/dbraw/zinc/88/42/91/662884291.db2.gz ABXFFEQBGKWUID-UHFFFAOYSA-N 1 0 394.313 2.510 20 0 GFADRO O[C@@H](C[NH2+]Cc1cnn2cc(Br)cnc12)Cc1cccc(Cl)c1 ZINC000877811775 662884658 /nfs/dbraw/zinc/88/46/58/662884658.db2.gz WPBPGBPJMBQHDZ-OAHLLOKOSA-N 1 0 395.688 2.838 20 0 GFADRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(Cc2ncccc2Br)CC1 ZINC000878020360 662888369 /nfs/dbraw/zinc/88/83/69/662888369.db2.gz JZYNPTWPSKLFFE-HZPDHXFCSA-N 1 0 381.362 2.835 20 0 GFADRO CN(C[C@@H](O)c1cc(Br)no1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000878151575 662890920 /nfs/dbraw/zinc/89/09/20/662890920.db2.gz XUFXWKKUIFVVSP-HZPDHXFCSA-N 1 0 394.313 2.924 20 0 GFADRO O[C@H](C[NH2+][C@@H](Cn1cccn1)c1ccccc1)c1cc(Br)no1 ZINC000878256319 662892589 /nfs/dbraw/zinc/89/25/89/662892589.db2.gz BKKFCCQUHZVWMO-UONOGXRCSA-N 1 0 377.242 2.698 20 0 GFADRO CCCCNC(=O)C1([NH2+]C[C@H](O)c2cc(Br)no2)CCCCC1 ZINC000878268211 662892725 /nfs/dbraw/zinc/89/27/25/662892725.db2.gz VVOGBBYSCGIIDD-LBPRGKRZSA-N 1 0 388.306 2.679 20 0 GFADRO CS[C@H]1CN(C[C@H](O)c2ccc(Br)cc2)C[C@H]1[NH+]1CCCC1 ZINC000878429136 662896236 /nfs/dbraw/zinc/89/62/36/662896236.db2.gz AYINUNKLBSPKEA-IKGGRYGDSA-N 1 0 385.371 2.994 20 0 GFADRO CC[NH+](CC)[C@@H](CNC(=O)Cc1c(Br)cnn1C)c1ccco1 ZINC000878484903 662897369 /nfs/dbraw/zinc/89/73/69/662897369.db2.gz BPFHRMSZCFDYIL-AWEZNQCLSA-N 1 0 383.290 2.517 20 0 GFADRO C[C@@H](c1ccccc1)[C@@H]([NH2+]C[C@@H](O)c1ccc(Br)cc1)C(N)=O ZINC000878639734 662901285 /nfs/dbraw/zinc/90/12/85/662901285.db2.gz SXJQWHKRQVERNS-JCURWCKSSA-N 1 0 377.282 2.730 20 0 GFADRO C[C@@H](c1ccccc1)[C@H]([NH2+]C[C@H](O)c1ccc(Br)cc1)C(N)=O ZINC000878639736 662901306 /nfs/dbraw/zinc/90/13/06/662901306.db2.gz SXJQWHKRQVERNS-ZLIFDBKOSA-N 1 0 377.282 2.730 20 0 GFADRO CC(C)(C)S(=O)(=O)CCC[NH2+][C@@H](CO)c1ccc(Br)c(F)c1 ZINC000878645511 662901611 /nfs/dbraw/zinc/90/16/11/662901611.db2.gz NMRKBQCXYBFBCF-AWEZNQCLSA-N 1 0 396.322 2.815 20 0 GFADRO Cc1cc(NC(=O)Nc2cc(Br)nn2C)n(C2CC[NH+](C)CC2)n1 ZINC000878889332 662908536 /nfs/dbraw/zinc/90/85/36/662908536.db2.gz VKXVUGWZJUTFHJ-UHFFFAOYSA-N 1 0 396.293 2.598 20 0 GFADRO CCCSc1nsc(NC(=O)N2CCC[C@@H]([NH2+]C3CCOCC3)C2)n1 ZINC000878945051 662910581 /nfs/dbraw/zinc/91/05/81/662910581.db2.gz GGODSJVIGSHSGC-CYBMUJFWSA-N 1 0 385.559 2.805 20 0 GFADRO CN(C[C@@H](O)C[N@H+](C)Cc1cncc(Br)c1)C(=O)OC(C)(C)C ZINC000879081538 662915820 /nfs/dbraw/zinc/91/58/20/662915820.db2.gz KUUZKCONVULIEL-AWEZNQCLSA-N 1 0 388.306 2.504 20 0 GFADRO OCC[C@H]([NH2+]CCn1cnc(Br)n1)c1ccc(Cl)c(F)c1 ZINC000879114848 662917619 /nfs/dbraw/zinc/91/76/19/662917619.db2.gz NLWVKLZHPISMGP-LBPRGKRZSA-N 1 0 377.645 2.546 20 0 GFADRO Cc1cc(NC(=O)N2CCC[C@@H]([NH2+]C3CCOCC3)C2)cnc1Br ZINC000879149510 662918745 /nfs/dbraw/zinc/91/87/45/662918745.db2.gz MPFJSYGUFJTXBB-CQSZACIVSA-N 1 0 397.317 2.917 20 0 GFADRO NC(=O)Cc1cccc2c1CC[N@H+](C[C@H](O)c1ccc(Br)cc1)C2 ZINC000879231310 662921365 /nfs/dbraw/zinc/92/13/65/662921365.db2.gz VJXIJPKBUDOTAV-SFHVURJKSA-N 1 0 389.293 2.569 20 0 GFADRO C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879570685 662929751 /nfs/dbraw/zinc/92/97/51/662929751.db2.gz DOUSKAXFZYEFHS-HFTRVMKXSA-N 1 0 394.357 2.822 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN([C@H]3CCc4cc(Br)ccc4NC3=O)CC[C@H]21 ZINC000879578675 662929943 /nfs/dbraw/zinc/92/99/43/662929943.db2.gz GKEMBZWBXXTQIK-XYPHTWIQSA-N 1 0 378.314 2.728 20 0 GFADRO C[C@H](NC(=O)Nc1cc(Br)nn1C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000879643164 662932794 /nfs/dbraw/zinc/93/27/94/662932794.db2.gz FLQBFQZYOQQPGT-NWDGAFQWSA-N 1 0 384.322 2.957 20 0 GFADRO C[C@@H]1CN(C(=O)Nc2ccnc(Br)c2)CCN1c1cc[nH+]cc1 ZINC000879668503 662935687 /nfs/dbraw/zinc/93/56/87/662935687.db2.gz SDPILZMRHFUOCM-GFCCVEGCSA-N 1 0 376.258 2.982 20 0 GFADRO COCC[N@H+](CCC(=O)Nc1cccc(Br)c1)C1CCOCC1 ZINC000879710408 662937808 /nfs/dbraw/zinc/93/78/08/662937808.db2.gz YEINASAGBDJBRV-UHFFFAOYSA-N 1 0 385.302 2.905 20 0 GFADRO C[NH+](C)C[C@@]1(O)CCCN(C(=O)c2cc(Br)ccc2C2CC2)C1 ZINC000879782222 662939364 /nfs/dbraw/zinc/93/93/64/662939364.db2.gz AJFKKYYZVCHFFM-SFHVURJKSA-N 1 0 381.314 2.855 20 0 GFADRO Cc1ncc(Br)cc1NC(=O)N(C)CC[NH+]1CC2(C1)CCOCC2 ZINC000879786560 662939414 /nfs/dbraw/zinc/93/94/14/662939414.db2.gz KJLFZVGXRYAWCA-UHFFFAOYSA-N 1 0 397.317 2.729 20 0 GFADRO Cn1ncc(Br)c1CC(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000879853166 662940806 /nfs/dbraw/zinc/94/08/06/662940806.db2.gz CCWSJPWNNMXBBB-AWEZNQCLSA-N 1 0 383.334 2.638 20 0 GFADRO Cn1cc(NC(=O)N(CC[NH+](C)C)Cc2ccccc2)c(Br)n1 ZINC000880039670 662946374 /nfs/dbraw/zinc/94/63/74/662946374.db2.gz LKMJJBCVIAFDBY-UHFFFAOYSA-N 1 0 380.290 2.778 20 0 GFADRO CC(C)(O)[C@H]1CC[N@H+](C[C@@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000880144884 662952559 /nfs/dbraw/zinc/95/25/59/662952559.db2.gz FOFQIBQJTDBTJY-WCQYABFASA-N 1 0 392.721 2.935 20 0 GFADRO O=C(CN1CCC[C@@H]([NH2+]C2CCOCC2)C1)Nc1ccc(Br)cc1 ZINC000880208800 662954580 /nfs/dbraw/zinc/95/45/80/662954580.db2.gz VBTFWATXEQEZIS-QGZVFWFLSA-N 1 0 396.329 2.621 20 0 GFADRO CC[C@H]([NH2+]Cc1nnnn1-c1ccccc1Br)[C@H]1CCCOC1 ZINC000880465761 662960572 /nfs/dbraw/zinc/96/05/72/662960572.db2.gz IFFPNNDTULSWNU-JSGCOSHPSA-N 1 0 380.290 2.720 20 0 GFADRO O=C(CC[N@H+]1C[C@@H](O)CC2(CCOCC2)C1)Nc1ccc(Br)cc1 ZINC000880582146 662963086 /nfs/dbraw/zinc/96/30/86/662963086.db2.gz KVSQPLMUVHKDAG-INIZCTEOSA-N 1 0 397.313 2.641 20 0 GFADRO O=C(CC[N@H+]1C[C@H](O)CC2(CCOCC2)C1)Nc1ccc(Br)cc1 ZINC000880582147 662963179 /nfs/dbraw/zinc/96/31/79/662963179.db2.gz KVSQPLMUVHKDAG-MRXNPFEDSA-N 1 0 397.313 2.641 20 0 GFADRO C[NH+](C)CCn1cc(NC(=O)Nc2c3c(ccc2Br)OCC3)cn1 ZINC000880798610 662970121 /nfs/dbraw/zinc/97/01/21/662970121.db2.gz XFMYZILRSLPDPQ-UHFFFAOYSA-N 1 0 394.273 2.786 20 0 GFADRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)Nc2cc(Cl)cc(Cl)c2F)C1 ZINC000880893703 662977588 /nfs/dbraw/zinc/97/75/88/662977588.db2.gz VEDCIQZOLFCREF-SNVBAGLBSA-N 1 0 391.274 2.841 20 0 GFADRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)Nc2cc(Cl)cc(Cl)c2F)C1 ZINC000880893702 662977644 /nfs/dbraw/zinc/97/76/44/662977644.db2.gz VEDCIQZOLFCREF-JTQLQIEISA-N 1 0 391.274 2.841 20 0 GFADRO C[NH+]1CCC2(CCN(C(=O)c3cccnc3I)CC2)CC1 ZINC000881242743 662985851 /nfs/dbraw/zinc/98/58/51/662985851.db2.gz AQZKBKJDDVVNCM-UHFFFAOYSA-N 1 0 399.276 2.634 20 0 GFADRO O[C@H](Cn1cc(CC[NH+]2CCCCC2)nn1)c1cccc(Br)c1 ZINC000881406191 662992990 /nfs/dbraw/zinc/99/29/90/662992990.db2.gz HMLHDPAKAMZPQP-QGZVFWFLSA-N 1 0 379.302 2.803 20 0 GFADRO O=C(c1cc(F)cc(Br)c1)N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000881470781 662995142 /nfs/dbraw/zinc/99/51/42/662995142.db2.gz SJMLCFWWKAEXFT-INIZCTEOSA-N 1 0 385.277 2.961 20 0 GFADRO O=C(c1cc(Br)ccc1F)N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000881470137 662995238 /nfs/dbraw/zinc/99/52/38/662995238.db2.gz QGVDJMFRAUIHOS-CQSZACIVSA-N 1 0 385.277 2.961 20 0 GFADRO NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)CCc2cc(Cl)cs2)CC1 ZINC000881622575 662998196 /nfs/dbraw/zinc/99/81/96/662998196.db2.gz OBSSIFMKWZAKNN-UHFFFAOYSA-N 1 0 383.945 2.667 20 0 GFADRO NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000881618062 662998306 /nfs/dbraw/zinc/99/83/06/662998306.db2.gz BQCIROTUHPMRAE-UHFFFAOYSA-N 1 0 384.307 2.939 20 0 GFADRO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NCCc1sccc1Br ZINC000881846677 663005710 /nfs/dbraw/zinc/00/57/10/663005710.db2.gz NWRNBNLSHUWEDA-HNNXBMFYSA-N 1 0 389.359 2.963 20 0 GFADRO CC(C)[NH+]1CCC(NC(=O)Cn2nc(C(F)(F)F)cc2Br)CC1 ZINC000882193859 663020289 /nfs/dbraw/zinc/02/02/89/663020289.db2.gz WKRKXQLHBMMQPG-UHFFFAOYSA-N 1 0 397.239 2.653 20 0 GFADRO C[NH+](C)C1CCC(NS(=O)(=O)c2cnc(Cl)cc2C(F)(F)F)CC1 ZINC000882272137 663023273 /nfs/dbraw/zinc/02/32/73/663023273.db2.gz LVKFYMJOELZEPF-UHFFFAOYSA-N 1 0 385.839 2.905 20 0 GFADRO C[NH+](C)C1CCC(Nc2cnn(CC(F)(F)F)c(=O)c2Br)CC1 ZINC000882471720 663028558 /nfs/dbraw/zinc/02/85/58/663028558.db2.gz BBQAXYMKEDPIHW-UHFFFAOYSA-N 1 0 397.239 2.853 20 0 GFADRO CC1([NH+]2CCC2)CCN(C(=O)c2cc(Br)cc3c2OCCO3)CC1 ZINC000882511413 663029635 /nfs/dbraw/zinc/02/96/35/663029635.db2.gz SDHUVARHCCSMIZ-UHFFFAOYSA-N 1 0 395.297 2.921 20 0 GFADRO CCC1([NH+]2CCCCC2)CCN(S(=O)(=O)CCOCC(F)(F)F)CC1 ZINC000882618421 663033476 /nfs/dbraw/zinc/03/34/76/663033476.db2.gz PPCPTBLTCJHPJU-UHFFFAOYSA-N 1 0 386.480 2.626 20 0 GFADRO COC[C@@H]([NH2+]CCCNC(=O)c1ccc(Br)cc1)[C@H]1CCCOC1 ZINC000883183496 663050904 /nfs/dbraw/zinc/05/09/04/663050904.db2.gz CONMZCLTJQSNHR-DOTOQJQBSA-N 1 0 399.329 2.600 20 0 GFADRO COC[C@@H]([NH2+]CCC(=O)Nc1ccc(Br)cc1)[C@@H]1CCCOC1 ZINC000883184517 663051036 /nfs/dbraw/zinc/05/10/36/663051036.db2.gz YUIQVNHBVSJRLU-CZUORRHYSA-N 1 0 385.302 2.809 20 0 GFADRO CN(CC[NH2+][C@@H]1CCSc2ccc(Br)cc21)CCOCCO ZINC000883349316 663053718 /nfs/dbraw/zinc/05/37/18/663053718.db2.gz XYYGUBYXKFXZSG-OAHLLOKOSA-N 1 0 389.359 2.516 20 0 GFADRO O[C@H](C[NH2+]Cc1c(Cl)cccc1N1CCOCC1)C(F)(F)C(F)(F)F ZINC000883367209 663054103 /nfs/dbraw/zinc/05/41/03/663054103.db2.gz KKKONRZYDWJHPU-CYBMUJFWSA-N 1 0 388.764 2.825 20 0 GFADRO CS(=O)(=O)[C@H]1C[C@H]([NH2+][C@@H](c2cccc(Br)c2)[C@@H]2CCOC2)C1 ZINC000883376301 663054273 /nfs/dbraw/zinc/05/42/73/663054273.db2.gz IGQSSEIQMRPEDF-MIGQKNRLSA-N 1 0 388.327 2.692 20 0 GFADRO NC(=O)c1csc(C[NH2+][C@H]2CCc3cc(Br)ccc3NC2=O)c1 ZINC000883386479 663054633 /nfs/dbraw/zinc/05/46/33/663054633.db2.gz GTSRWPFGNJYQKN-AWEZNQCLSA-N 1 0 394.294 2.653 20 0 GFADRO Clc1cccc(-c2nc(CN3CC[C@@H](N4CC[NH2+]CC4)C3)no2)c1Cl ZINC000883430529 663055117 /nfs/dbraw/zinc/05/51/17/663055117.db2.gz XARFCZGAYBBBLI-GFCCVEGCSA-N 1 0 382.295 2.523 20 0 GFADRO COc1cc(Br)cc(NC(=O)N2CCc3sc(C[NH3+])nc3C2)c1 ZINC000883550105 663056884 /nfs/dbraw/zinc/05/68/84/663056884.db2.gz HBCQZDYZEIAJCG-UHFFFAOYSA-N 1 0 397.298 2.963 20 0 GFADRO C[C@H]1CN(C(=O)NCc2ncc(Br)s2)CCN1c1cc[nH+]cc1 ZINC000883761230 663060316 /nfs/dbraw/zinc/06/03/16/663060316.db2.gz RKBTUKNSCXLNMI-NSHDSACASA-N 1 0 396.314 2.721 20 0 GFADRO [NH3+][C@H](CC1CC1)C(=O)N1CCC(C(=O)Nc2ccccc2Br)CC1 ZINC000884119267 663065500 /nfs/dbraw/zinc/06/55/00/663065500.db2.gz HHWHJZHAGWZUIJ-OAHLLOKOSA-N 1 0 394.313 2.754 20 0 GFADRO CC1(C)[C@H](NC(=O)CCc2nc(-c3cc(Br)cs3)no2)C[C@@H]1[NH3+] ZINC000884352569 663069498 /nfs/dbraw/zinc/06/94/98/663069498.db2.gz KSXHGUDAQHVKKI-WDEREUQCSA-N 1 0 399.314 2.735 20 0 GFADRO C[NH2+][C@@H](CC(C)C)C(=O)NCc1ccc(Br)cc1N1CCOCC1 ZINC000884378304 663069728 /nfs/dbraw/zinc/06/97/28/663069728.db2.gz OAEZSKHADMLYPN-INIZCTEOSA-N 1 0 398.345 2.536 20 0 GFADRO [NH3+]C[C@H]1CC[C@H](NC(=O)C(=O)N[C@H]2CCSc3ccc(Cl)cc32)CC1 ZINC000884523392 663072048 /nfs/dbraw/zinc/07/20/48/663072048.db2.gz WDKNNIVKQSVEOI-WHOFXGATSA-N 1 0 381.929 2.627 20 0 GFADRO COC(=O)c1cnc([C@H]2CCN(C(=O)c3sccc3C[NH+](C)C)C2)s1 ZINC000884765250 663075127 /nfs/dbraw/zinc/07/51/27/663075127.db2.gz CPEVWGCVWRAZTH-LBPRGKRZSA-N 1 0 379.507 2.683 20 0 GFADRO CC[NH+]1CCC(NS(=O)(=O)Cc2ccc(Br)cc2C)CC1 ZINC000884926713 663078538 /nfs/dbraw/zinc/07/85/38/663078538.db2.gz CUTAADJSPSZFDG-UHFFFAOYSA-N 1 0 375.332 2.661 20 0 GFADRO C[C@H](Cc1c[nH]cn1)C(=O)N1CCC[C@@](O)(c2ccc(Br)cc2)C1 ZINC000884969593 663081359 /nfs/dbraw/zinc/08/13/59/663081359.db2.gz KSBIVSBFTZOECU-ACJLOTCBSA-N 1 0 392.297 2.861 20 0 GFADRO Cc1cnc(Cl)c(S(=O)(=O)N2C[C@H](C[NH+](C)C)Oc3ccccc32)c1 ZINC000885056793 663083771 /nfs/dbraw/zinc/08/37/71/663083771.db2.gz GHXSOEXYYJVYPP-ZDUSSCGKSA-N 1 0 381.885 2.561 20 0 GFADRO C[C@H]1CN(c2cc[nH+]cc2)CCN1S(=O)(=O)c1cc(Cl)cnc1Cl ZINC000885848165 663099108 /nfs/dbraw/zinc/09/91/08/663099108.db2.gz PKSFWAWKBUHJOC-NSHDSACASA-N 1 0 387.292 2.683 20 0 GFADRO C[C@@H](Oc1ccccc1Br)C(=O)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000885868434 663099489 /nfs/dbraw/zinc/09/94/89/663099489.db2.gz HMXJXUBCJNCQSS-UKRRQHHQSA-N 1 0 397.313 2.586 20 0 GFADRO O=C1NC(=O)[C@]2(CCC[N@@H+](Cc3cc(Br)c4ccccc4c3)C2)N1 ZINC000886178623 663104361 /nfs/dbraw/zinc/10/43/61/663104361.db2.gz AMKYFJYSCILWKT-GOSISDBHSA-N 1 0 388.265 2.776 20 0 GFADRO O[C@@H]1CC[C@@H]([NH2+]Cc2c[nH]nc2-c2ccc(Br)s2)CC[C@@H]1O ZINC000886262742 663106498 /nfs/dbraw/zinc/10/64/98/663106498.db2.gz ZLEPGIFXHMNFIX-CNDDSTCGSA-N 1 0 386.315 2.655 20 0 GFADRO O=C1NCCN1CC[NH2+]Cc1cnc(-c2ccc(Br)cc2)s1 ZINC000886323609 663108122 /nfs/dbraw/zinc/10/81/22/663108122.db2.gz BKCVPYIKJDWNOI-UHFFFAOYSA-N 1 0 381.299 2.687 20 0 GFADRO CC(C)[C@H]([NH2+]C[C@H](O)COc1ccccc1Br)c1cnn(C)c1 ZINC000886551793 663113683 /nfs/dbraw/zinc/11/36/83/663113683.db2.gz OOOZBPNFMXTWEC-YOEHRIQHSA-N 1 0 382.302 2.909 20 0 GFADRO Cc1csc(C[C@H]2CCC[N@H+](Cc3nn4c(nc(C)cc4=O)s3)C2)n1 ZINC000886698863 663115776 /nfs/dbraw/zinc/11/57/76/663115776.db2.gz OKYXGWWPLPJSCN-CYBMUJFWSA-N 1 0 375.523 2.679 20 0 GFADRO Cn1ccn2c(CC[NH2+][C@H]3CCc4c3ccc(Cl)c4Cl)nnc2c1=O ZINC000886696027 663115782 /nfs/dbraw/zinc/11/57/82/663115782.db2.gz FCDBSSCAFPEKDT-ZDUSSCGKSA-N 1 0 378.263 2.554 20 0 GFADRO Cc1cc(Br)ccc1CS(=O)(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000886884111 663123322 /nfs/dbraw/zinc/12/33/22/663123322.db2.gz VMKCPLQCSRTSBL-QWHCGFSZSA-N 1 0 375.332 2.647 20 0 GFADRO Cc1cc(Br)ccc1CS(=O)(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000886884112 663123333 /nfs/dbraw/zinc/12/33/33/663123333.db2.gz VMKCPLQCSRTSBL-STQMWFEESA-N 1 0 375.332 2.647 20 0 GFADRO Cc1cc(Br)ccc1CS(=O)(=O)N(C)C1CCC([NH3+])CC1 ZINC000886884200 663123465 /nfs/dbraw/zinc/12/34/65/663123465.db2.gz YCNUZIBBZWUTKI-UHFFFAOYSA-N 1 0 375.332 2.789 20 0 GFADRO COc1cc(S(=O)(=O)N(CC[NH3+])Cc2cccc(Cl)c2)cnc1Cl ZINC000886894343 663123884 /nfs/dbraw/zinc/12/38/84/663123884.db2.gz JUMZYSXSJJLTCO-UHFFFAOYSA-N 1 0 390.292 2.547 20 0 GFADRO O=S(=O)(c1ccc(F)cc1Br)N1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886899925 663124201 /nfs/dbraw/zinc/12/42/01/663124201.db2.gz YQCDCFASQDVBAX-HNNXBMFYSA-N 1 0 391.306 2.743 20 0 GFADRO Cc1sc(-c2cc[nH]n2)nc1-c1cn(CCC[NH+]2CCSCC2)nn1 ZINC000887500348 663148569 /nfs/dbraw/zinc/14/85/69/663148569.db2.gz ZVHWLPDHXFWQKC-UHFFFAOYSA-N 1 0 375.527 2.539 20 0 GFADRO Cc1sc(-c2c[nH]cn2)nc1-c1cn(CCC[NH+]2CCSCC2)nn1 ZINC000887499807 663148639 /nfs/dbraw/zinc/14/86/39/663148639.db2.gz FTFIEBJWPNAJQH-UHFFFAOYSA-N 1 0 375.527 2.539 20 0 GFADRO C[C@H]1C[C@@H](C(=O)Nc2cc(Br)ccc2N2CCOCC2)CC[N@@H+]1C ZINC000887742150 663159796 /nfs/dbraw/zinc/15/97/96/663159796.db2.gz SUEIPVYXXDLGQG-KBPBESRZSA-N 1 0 396.329 2.955 20 0 GFADRO O=C(NCc1ccnc(N2CCCC2)c1)c1nn2c(c1Br)CCC2 ZINC000887893041 663167738 /nfs/dbraw/zinc/16/77/38/663167738.db2.gz RSHUEUMPYVIUEG-UHFFFAOYSA-N 1 0 390.285 2.517 20 0 GFADRO Cc1csc(C(=O)N2C[C@H]3C[N@@H+](C)C[C@@]3(C)C2)c1I ZINC000887927994 663170211 /nfs/dbraw/zinc/17/02/11/663170211.db2.gz RDAAWBVODBNQDI-YGRLFVJLSA-N 1 0 390.290 2.685 20 0 GFADRO C[NH+](C)[C@H]1Cc2ccccc2N(C(=O)c2nn3c(c2Br)CCC3)C1 ZINC000888874657 663222336 /nfs/dbraw/zinc/22/23/36/663222336.db2.gz SZUPQMJXELTLRO-ZDUSSCGKSA-N 1 0 389.297 2.725 20 0 GFADRO Cn1cc(C(=O)Nc2ccc3ccn(CC[NH+](C)C)c3c2)c(Br)n1 ZINC000889090095 663231720 /nfs/dbraw/zinc/23/17/20/663231720.db2.gz XUQRYZAFLMGPCU-UHFFFAOYSA-N 1 0 390.285 2.951 20 0 GFADRO C[NH+]1CCC2(CCN2C(=O)c2cc(Br)cnc2OCC2CC2)CC1 ZINC000889223370 663237915 /nfs/dbraw/zinc/23/79/15/663237915.db2.gz XYCHUEKYNMNUJU-UHFFFAOYSA-N 1 0 394.313 2.943 20 0 GFADRO Cc1cc(Br)c(F)c(C(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)c1 ZINC000889745574 663262342 /nfs/dbraw/zinc/26/23/42/663262342.db2.gz WPMLTCIIJLVPRH-CABCVRRESA-N 1 0 385.277 2.568 20 0 GFADRO O=C(c1cc2c(cccc2Br)[nH]1)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000889770005 663265189 /nfs/dbraw/zinc/26/51/89/663265189.db2.gz OJFKRJIFBWTZFF-SJORKVTESA-N 1 0 392.297 2.602 20 0 GFADRO O=C(c1cc2ccc(Br)cc2[nH]1)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000889775329 663266044 /nfs/dbraw/zinc/26/60/44/663266044.db2.gz MBQWLRGFEDQMCQ-IRXDYDNUSA-N 1 0 392.297 2.602 20 0 GFADRO COc1nc(C)c(Br)cc1C(=O)N1CCC([NH2+]C2CCC2)CC1 ZINC000889827181 663270489 /nfs/dbraw/zinc/27/04/89/663270489.db2.gz DLMWFBQDXCGCHY-UHFFFAOYSA-N 1 0 382.302 2.908 20 0 GFADRO CN(C)c1ncc(Br)cc1C(=O)N1CCC([NH2+]C2CCC2)CC1 ZINC000889833313 663271019 /nfs/dbraw/zinc/27/10/19/663271019.db2.gz ZCBAOCMMNIKGLR-UHFFFAOYSA-N 1 0 381.318 2.657 20 0 GFADRO CN(CC(C)(C)C[NH+](C)C)C(=O)CSc1nnc(-c2cccs2)n1C ZINC000890884143 663315856 /nfs/dbraw/zinc/31/58/56/663315856.db2.gz YAGKSANYOBHMLL-UHFFFAOYSA-N 1 0 381.571 2.682 20 0 GFADRO [NH3+]Cc1nc2c(s1)CCN(C(=O)NCc1ccc(F)cc1Br)C2 ZINC000891411815 663338967 /nfs/dbraw/zinc/33/89/67/663338967.db2.gz ASVBTWYUXCIESX-UHFFFAOYSA-N 1 0 399.289 2.771 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)N[C@H]2CCOc3c(Cl)cccc32)C[C@@H]1C(F)(F)F ZINC000891417735 663339131 /nfs/dbraw/zinc/33/91/31/663339131.db2.gz LUTUTYURIJIGRM-CDMKHQONSA-N 1 0 377.794 2.942 20 0 GFADRO COc1ccc(Br)cc1CNC(=O)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000891458721 663340047 /nfs/dbraw/zinc/34/00/47/663340047.db2.gz CJNUKSBWEAOKPW-NSHDSACASA-N 1 0 392.244 2.502 20 0 GFADRO O=C(NCCc1ccccc1Br)NC[C@H]1C[NH2+]CCC1(F)F ZINC000891461296 663340184 /nfs/dbraw/zinc/34/01/84/663340184.db2.gz VNWIOUOYDULZLC-GFCCVEGCSA-N 1 0 376.245 2.536 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)NCCc2ccc(Br)cc2)C[C@@H]1C(F)(F)F ZINC000891568043 663344164 /nfs/dbraw/zinc/34/41/64/663344164.db2.gz IHEQZNYWOPWBRI-AAEUAGOBSA-N 1 0 394.235 2.770 20 0 GFADRO O=C(NCc1cc(Cl)ccc1OC(F)F)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000891624451 663345755 /nfs/dbraw/zinc/34/57/55/663345755.db2.gz QYXBLKFIJQCANU-JTQLQIEISA-N 1 0 383.773 2.985 20 0 GFADRO CO[C@H](CNC(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1)c1ccccc1Cl ZINC000891686193 663347313 /nfs/dbraw/zinc/34/73/13/663347313.db2.gz DNBAUWRXNIHWSQ-VHRBIJSZSA-N 1 0 379.810 2.806 20 0 GFADRO [NH3+]CCN(Cc1cccc(Cl)c1)C(=O)N[C@H]1CCO[C@@]2(CCSC2)C1 ZINC000891696961 663347654 /nfs/dbraw/zinc/34/76/54/663347654.db2.gz OSHLBZIUBXVBAK-WMZOPIPTSA-N 1 0 383.945 2.865 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)NCCSCc2ccnc(Cl)c2)C[C@@H]1C(F)(F)F ZINC000891778661 663350165 /nfs/dbraw/zinc/35/01/65/663350165.db2.gz JHEJOFNOEUJORT-NEPJUHHUSA-N 1 0 396.866 2.747 20 0 GFADRO CCN(C(=O)NCc1nc2cc(Br)ccc2n1CC)[C@H]1CC[NH2+]C1 ZINC000891851288 663352870 /nfs/dbraw/zinc/35/28/70/663352870.db2.gz JRSWINFKLNVVGP-ZDUSSCGKSA-N 1 0 394.317 2.712 20 0 GFADRO Cc1cc(CNC(=O)N2CCC[C@H]3[NH2+]CC[C@H]32)ccc1I ZINC000891874437 663353782 /nfs/dbraw/zinc/35/37/82/663353782.db2.gz KKWTYFGOAFGXHC-HUUCEWRRSA-N 1 0 399.276 2.636 20 0 GFADRO [NH3+][C@@H]1CCC[C@H](NC(=O)NCc2ccn(-c3ccc(Br)cc3)n2)C1 ZINC000892087774 663361347 /nfs/dbraw/zinc/36/13/47/663361347.db2.gz CHRSEPACJURNPI-KGLIPLIRSA-N 1 0 392.301 2.704 20 0 GFADRO C[C@H]1C[C@@H](NC(=O)NCc2ccn(-c3ccc(Br)cc3)n2)CC[NH2+]1 ZINC000892094690 663361415 /nfs/dbraw/zinc/36/14/15/663361415.db2.gz BQHLLUUOKLWTKY-JSGCOSHPSA-N 1 0 392.301 2.575 20 0 GFADRO C[C@@H](CCC[NH3+])NC(=O)NCc1ccn(-c2ccc(Br)cc2)n1 ZINC000892143144 663363292 /nfs/dbraw/zinc/36/32/92/663363292.db2.gz XHZMEBUVFXSMTG-LBPRGKRZSA-N 1 0 380.290 2.561 20 0 GFADRO COc1ncc(Br)cc1CNC(=O)N1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000892281811 663368103 /nfs/dbraw/zinc/36/81/03/663368103.db2.gz ODEYYNMPWLGLJY-QGZVFWFLSA-N 1 0 399.333 2.759 20 0 GFADRO O=C(NCc1ccc(Br)c(F)c1F)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000892284984 663368338 /nfs/dbraw/zinc/36/83/38/663368338.db2.gz QFBSEZPHIVFBAE-VIFPVBQESA-N 1 0 398.198 2.771 20 0 GFADRO [NH3+]CCCOCCNC(=O)NCc1cc(C(F)(F)F)ccc1Br ZINC000892290919 663368359 /nfs/dbraw/zinc/36/83/59/663368359.db2.gz LFLBVRFZQYSEEM-UHFFFAOYSA-N 1 0 398.223 2.633 20 0 GFADRO CC(=O)Nc1cc(Br)ccc1C[NH2+]CCCNc1ncccn1 ZINC000892401664 663372336 /nfs/dbraw/zinc/37/23/36/663372336.db2.gz HOBUEJPIHYFFDC-UHFFFAOYSA-N 1 0 378.274 2.789 20 0 GFADRO Oc1cc(Br)cnc1C[NH2+][C@H](CN1CCOCC1)c1ccccc1 ZINC000892465755 663374708 /nfs/dbraw/zinc/37/47/08/663374708.db2.gz GSVGXFJSKJJWOI-QGZVFWFLSA-N 1 0 392.297 2.713 20 0 GFADRO Oc1cc(Br)cnc1C[NH2+][C@@H](CN1CCOCC1)c1ccccc1 ZINC000892465754 663374735 /nfs/dbraw/zinc/37/47/35/663374735.db2.gz GSVGXFJSKJJWOI-KRWDZBQOSA-N 1 0 392.297 2.713 20 0 GFADRO O=C(NCc1ccc(Br)cn1)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000892615618 663378678 /nfs/dbraw/zinc/37/86/78/663378678.db2.gz FDKFOSVOMNFDOX-KGLIPLIRSA-N 1 0 381.318 2.765 20 0 GFADRO C[C@H]([NH2+]C1CCN(c2nc3ccccc3s2)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000892682666 663381210 /nfs/dbraw/zinc/38/12/10/663381210.db2.gz BJZRMXSKJIPRDG-KBPBESRZSA-N 1 0 379.551 2.678 20 0 GFADRO C[C@]1(Br)C[C@@H]1C[NH2+]Cc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000892770969 663384200 /nfs/dbraw/zinc/38/42/00/663384200.db2.gz PDNPZPBJQRORDB-ZBFHGGJFSA-N 1 0 387.343 2.734 20 0 GFADRO CCc1cc(N2CCC[C@H]([NH2+]Cc3ncc(Br)cc3O)C2)ncn1 ZINC000892886812 663388369 /nfs/dbraw/zinc/38/83/69/663388369.db2.gz XIGGQUMAEYMSSJ-AWEZNQCLSA-N 1 0 392.301 2.661 20 0 GFADRO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)NCc1ncc(Br)cn1 ZINC000892902641 663388902 /nfs/dbraw/zinc/38/89/02/663388902.db2.gz JGWYLJAVYBHPLQ-AWEZNQCLSA-N 1 0 384.322 2.693 20 0 GFADRO COCCC1(NC(=O)NCCc2sccc2Br)CC[NH2+]CC1 ZINC000892939405 663390514 /nfs/dbraw/zinc/39/05/14/663390514.db2.gz JQBSLIHFCRTROQ-UHFFFAOYSA-N 1 0 390.347 2.511 20 0 GFADRO COCc1nc2n(n1)C[C@@H]([NH2+]Cc1cc(Cl)cc(Br)c1)CC2 ZINC000893133739 663397831 /nfs/dbraw/zinc/39/78/31/663397831.db2.gz CAOAPWKQAWRAPO-ZDUSSCGKSA-N 1 0 385.693 2.945 20 0 GFADRO O[C@@H](C[NH2+]Cc1cn2ccnc2s1)COc1ccccc1Br ZINC000893171477 663399943 /nfs/dbraw/zinc/39/99/43/663399943.db2.gz FBAJATROGDOSSR-NSHDSACASA-N 1 0 382.283 2.688 20 0 GFADRO C[NH+](C)[C@H]1CCN(c2ccc(NCc3ncc(Br)cc3O)nc2)C1 ZINC000893205051 663401599 /nfs/dbraw/zinc/40/15/99/663401599.db2.gz HDRMIYWFRNIPOS-AWEZNQCLSA-N 1 0 392.301 2.697 20 0 GFADRO NC(=O)[C@H](C[NH2+]Cc1cnc(CC(F)(F)F)s1)Cc1ccc(F)cc1 ZINC000893310450 663406699 /nfs/dbraw/zinc/40/66/99/663406699.db2.gz CVCLNVKEHJEPIU-NSHDSACASA-N 1 0 375.391 2.821 20 0 GFADRO C[C@@H]1[C@@H]([NH+](C)C)CCN1c1ncnc2c1c(Br)nn2C(C)(C)C ZINC000893979281 663435138 /nfs/dbraw/zinc/43/51/38/663435138.db2.gz ACZULJWDJCSXCJ-MNOVXSKESA-N 1 0 381.322 2.873 20 0 GFADRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1Cc1nc(Br)nn1C ZINC000894044574 663439348 /nfs/dbraw/zinc/43/93/48/663439348.db2.gz KLWPMCJSRVUPAV-CQSZACIVSA-N 1 0 378.318 2.674 20 0 GFADRO F[C@@H]1CC2(CC[C@H]1[NH2+]CCCCn1cc(Br)cn1)OCCO2 ZINC000894135652 663444910 /nfs/dbraw/zinc/44/49/10/663444910.db2.gz YKKKCTRCWBBBBC-ZIAGYGMSSA-N 1 0 376.270 2.649 20 0 GFADRO CC[NH+](CC)CCOc1ccccc1CNCc1nc(Br)nn1C ZINC000894186180 663447217 /nfs/dbraw/zinc/44/72/17/663447217.db2.gz SRZBUSSNDMNXSR-UHFFFAOYSA-N 1 0 396.333 2.588 20 0 GFADRO CC(C)(C)OC(=O)N1CC(C[NH2+]CCS(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000894205709 663448540 /nfs/dbraw/zinc/44/85/40/663448540.db2.gz AREQNFJHKCNEHB-UHFFFAOYSA-N 1 0 388.917 2.570 20 0 GFADRO C[C@@H](c1ccccc1)[C@H](CO)[NH2+]Cc1sc(N2CCOCC2)nc1Cl ZINC000894259831 663451437 /nfs/dbraw/zinc/45/14/37/663451437.db2.gz YRENPFVMPNFDON-ZFWWWQNUSA-N 1 0 381.929 2.887 20 0 GFADRO COc1cc(Br)ccc1CNC(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2C ZINC000894306048 663453361 /nfs/dbraw/zinc/45/33/61/663453361.db2.gz JECBOGPYGAVNSX-LSDHHAIUSA-N 1 0 382.302 2.836 20 0 GFADRO COCCC1(C[NH2+]Cc2c(I)cnn2C)CCCC1 ZINC000894330743 663455009 /nfs/dbraw/zinc/45/50/09/663455009.db2.gz RZOKSQWTQAWKBX-UHFFFAOYSA-N 1 0 377.270 2.711 20 0 GFADRO C[C@H](NCc1nc(Br)nn1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000894423363 663460782 /nfs/dbraw/zinc/46/07/82/663460782.db2.gz PEAKGUDCYBZSPJ-ZFWWWQNUSA-N 1 0 378.318 2.578 20 0 GFADRO COc1ccc(C[C@@H](CO)C[NH2+]Cc2csc(C(F)(F)F)n2)cc1O ZINC000894473441 663463909 /nfs/dbraw/zinc/46/39/09/663463909.db2.gz TZZAFGIGRUPEMP-LLVKDONJSA-N 1 0 376.400 2.817 20 0 GFADRO O=C(N1C[C@H]2CC[N@H+](Cc3c(Cl)n[nH]c3C3CC3)C[C@@H]2C1)C(F)(F)F ZINC000894722093 663477516 /nfs/dbraw/zinc/47/75/16/663477516.db2.gz IAXXQXVGEORFLC-GHMZBOCLSA-N 1 0 376.810 2.783 20 0 GFADRO CC(C)(C)OC(=O)N1CCCO[C@H](C[NH2+]C[C@H]2C[C@@]2(C)Br)C1 ZINC000894769459 663480579 /nfs/dbraw/zinc/48/05/79/663480579.db2.gz MRDQTJRSOKLYLM-XJKCOSOUSA-N 1 0 377.323 2.776 20 0 GFADRO Cc1[nH+]ccc(N2CCC[C@@H](C(=O)N[C@H]3CCC[C@@H](O)C3)C2)c1Br ZINC000895065431 663497561 /nfs/dbraw/zinc/49/75/61/663497561.db2.gz JPOPKXCDTHOSQL-QLFBSQMISA-N 1 0 396.329 2.789 20 0 GFADRO O[C@@H]1C[C@H]2CN(Cc3cc(Br)c(Br)s3)CC[N@@H+]2C1 ZINC000895189987 663502402 /nfs/dbraw/zinc/50/24/02/663502402.db2.gz YYJCLDMFYQTNBI-DTWKUNHWSA-N 1 0 396.148 2.524 20 0 GFADRO C[C@H](Nc1ncncc1-c1ccc(Br)cc1)[C@H]1C[N@H+](C)CCN1C ZINC000895250034 663505288 /nfs/dbraw/zinc/50/52/88/663505288.db2.gz ZLFPGSUAWCTPEZ-SUMWQHHRSA-N 1 0 390.329 2.952 20 0 GFADRO C[C@@H](C[NH2+]Cc1cnc(Br)cn1)c1ccc(S(C)(=O)=O)cc1 ZINC000895406354 663512053 /nfs/dbraw/zinc/51/20/53/663512053.db2.gz BTIKOJZWBQJLDY-NSHDSACASA-N 1 0 384.299 2.536 20 0 GFADRO COc1cccc(NC(=O)C[C@H](C)[NH2+]Cc2cnc(Br)cn2)c1 ZINC000895407596 663512169 /nfs/dbraw/zinc/51/21/69/663512169.db2.gz FWDVHMCFOWVYDX-NSHDSACASA-N 1 0 379.258 2.755 20 0 GFADRO CSc1cc(Br)ccc1C[NH2+][C@H]1C(=O)NCC12CCOCC2 ZINC000895772667 663527273 /nfs/dbraw/zinc/52/72/73/663527273.db2.gz UGQAVAQDDCGQCO-AWEZNQCLSA-N 1 0 385.327 2.556 20 0 GFADRO C[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+]C1CC(c2ccc(Br)cc2F)C1 ZINC000895795856 663527789 /nfs/dbraw/zinc/52/77/89/663527789.db2.gz DYSXDIZVCMMMQI-BGVWEHGWSA-N 1 0 376.291 2.857 20 0 GFADRO CC(C)(C)OC(=O)N[C@H](CC(F)F)C[N@@H+]1CC[C@@](CO)(C(F)(F)F)C1 ZINC000895837163 663529811 /nfs/dbraw/zinc/52/98/11/663529811.db2.gz RRMQRQSUMDYDLM-QMTHXVAHSA-N 1 0 376.366 2.782 20 0 GFADRO C[C@H](Cc1cccc(Br)c1)NC(=O)C1C[NH+](C2CCOCC2)C1 ZINC000895883079 663532137 /nfs/dbraw/zinc/53/21/37/663532137.db2.gz AQRYUIJHTIRBDE-CYBMUJFWSA-N 1 0 381.314 2.607 20 0 GFADRO O=C(NCc1ccc(Br)cc1Cl)C1C[NH+](C2CCOCC2)C1 ZINC000895910032 663532644 /nfs/dbraw/zinc/53/26/44/663532644.db2.gz HSIFJVTVRKQKKR-UHFFFAOYSA-N 1 0 387.705 2.830 20 0 GFADRO CO[C@@H]1CN(C(=O)N[C@@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)CCO1 ZINC000896017340 663537768 /nfs/dbraw/zinc/53/77/68/663537768.db2.gz WWUBGMXRIQTOEW-GJZGRUSLSA-N 1 0 376.284 2.610 20 0 GFADRO O=C(NCc1ccsc1C(F)(F)F)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000896077160 663539906 /nfs/dbraw/zinc/53/99/06/663539906.db2.gz XKGVCNWRIYANNO-CHWSQXEVSA-N 1 0 377.432 2.508 20 0 GFADRO OC[C@@H](CCc1ccccc1)[NH2+]Cc1cnn2cc(Br)cnc12 ZINC000896524344 663560353 /nfs/dbraw/zinc/56/03/53/663560353.db2.gz FHGHTPCDWNNTSY-MRXNPFEDSA-N 1 0 375.270 2.575 20 0 GFADRO C[C@@H](NC(=O)CCCc1ccc(Br)s1)[C@H]1C[N@H+](C)CCN1C ZINC000896575908 663565440 /nfs/dbraw/zinc/56/54/40/663565440.db2.gz CYTLLZYADMSLSI-TZMCWYRMSA-N 1 0 388.375 2.584 20 0 GFADRO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)N[C@H]2CCOc3ccc(Br)cc32)C1 ZINC000896613100 663568079 /nfs/dbraw/zinc/56/80/79/663568079.db2.gz SKBBAFHKSQLPRW-CQDKDKBSSA-N 1 0 380.286 2.618 20 0 GFADRO Cc1ncc(NC2CC[NH+](CCN3CCOCC3)CC2)c(C)c1Br ZINC000896665074 663570433 /nfs/dbraw/zinc/57/04/33/663570433.db2.gz BTPDRRVASGGVCR-UHFFFAOYSA-N 1 0 397.361 2.669 20 0 GFADRO OCC[N@@H+]1CCC[C@@H]2[C@H]1CCN2c1ncnc2cc(F)c(Br)cc21 ZINC000897221335 663595556 /nfs/dbraw/zinc/59/55/56/663595556.db2.gz LOMIJPNIBZOSMK-HZPDHXFCSA-N 1 0 395.276 2.567 20 0 GFADRO C[NH+](C)[C@H]1CCc2cc(NC(=O)c3c[nH]nc3I)ccc21 ZINC000897909677 663625360 /nfs/dbraw/zinc/62/53/60/663625360.db2.gz QZTSFXHDFIOSOS-ZDUSSCGKSA-N 1 0 396.232 2.816 20 0 GFADRO Cc1ccc(CCC[NH2+][C@@H]2Cc3cc(Br)cnc3NC2=O)cn1 ZINC000897977779 663627989 /nfs/dbraw/zinc/62/79/89/663627989.db2.gz KFYXAZPDGKWKDK-OAHLLOKOSA-N 1 0 375.270 2.633 20 0 GFADRO CCn1c(C[NH2+]C2CC(CCO)C2)nc(Br)c1Br ZINC000898014802 663630024 /nfs/dbraw/zinc/63/00/24/663630024.db2.gz GORRLPOVRKCFTP-UHFFFAOYSA-N 1 0 381.112 2.679 20 0 GFADRO Ic1cnc(C[NH2+]C[C@]23C[C@H]2COC32CCC2)s1 ZINC000898065091 663631784 /nfs/dbraw/zinc/63/17/84/663631784.db2.gz QQKCMOJYTSRCGF-JOYOIKCWSA-N 1 0 376.263 2.797 20 0 GFADRO Cc1ccc(Br)c(C(=O)N2CCC(CO)([NH2+]CC3CC3)CC2)c1 ZINC000898117949 663634558 /nfs/dbraw/zinc/63/45/58/663634558.db2.gz TZJVLUMRCVRWQZ-UHFFFAOYSA-N 1 0 381.314 2.724 20 0 GFADRO O=C(CSCc1ccc(Cl)cc1)N1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000898125682 663634863 /nfs/dbraw/zinc/63/48/63/663634863.db2.gz ZTVKPGHSDKXWLM-UHFFFAOYSA-N 1 0 382.957 2.926 20 0 GFADRO O=C(c1ccc(Br)cc1F)N1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000898123525 663634885 /nfs/dbraw/zinc/63/48/85/663634885.db2.gz YKPBIXILCNMBFD-UHFFFAOYSA-N 1 0 385.277 2.555 20 0 GFADRO O=c1cc(N2CC[C@H]([NH2+]Cc3ccc(Br)c(F)c3F)C2)nc[nH]1 ZINC000898150204 663635467 /nfs/dbraw/zinc/63/54/67/663635467.db2.gz QORDRDZBMFKQBQ-JTQLQIEISA-N 1 0 385.212 2.591 20 0 GFADRO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]Cc1cnc2n1CCOC2 ZINC000898267635 663641507 /nfs/dbraw/zinc/64/15/07/663641507.db2.gz NMKLKYMOVGITQG-GFCCVEGCSA-N 1 0 393.285 2.683 20 0 GFADRO O=c1ccn(CCC[NH2+][C@@H]2CCc3c2ccc(F)c3Br)c(=O)[nH]1 ZINC000898329858 663643760 /nfs/dbraw/zinc/64/37/60/663643760.db2.gz LVUAAWBUGXYPSO-CYBMUJFWSA-N 1 0 382.233 2.518 20 0 GFADRO CC(C)c1nc([C@H](CO)NC(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)cs1 ZINC000898378172 663645617 /nfs/dbraw/zinc/64/56/17/663645617.db2.gz USZPXYJOBVCMIM-CABCVRRESA-N 1 0 383.583 2.634 20 0 GFADRO O=C(NC1CC[NH+](C2CCOCC2)CC1)c1cccc(Br)c1F ZINC000898634977 663658665 /nfs/dbraw/zinc/65/86/65/663658665.db2.gz QDSQGXNSDGTJGL-UHFFFAOYSA-N 1 0 385.277 2.961 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCc2ncc(Br)n2C1)c1ccc(S(C)(=O)=O)cc1 ZINC000898720299 663660519 /nfs/dbraw/zinc/66/05/19/663660519.db2.gz LRUIEHKPHITCIQ-WCQYABFASA-N 1 0 398.326 2.715 20 0 GFADRO COCCOc1cccc(C[NH2+][C@@H]2CCc3ncc(Br)n3C2)c1 ZINC000898723173 663660852 /nfs/dbraw/zinc/66/08/52/663660852.db2.gz CCXBXXMBWNWBPS-CQSZACIVSA-N 1 0 380.286 2.775 20 0 GFADRO COCCNC(=S)C(C(=O)c1sccc1Cl)[n+]1ccc(N(C)C)cc1 ZINC000899332461 663683869 /nfs/dbraw/zinc/68/38/69/663683869.db2.gz HJZGNISHILUTML-UHFFFAOYSA-O 1 0 398.961 2.682 20 0 GFADRO C[NH+]1CCC(NC(=S)NCc2csc(=NC(=O)OC(C)(C)C)[nH]2)CC1 ZINC000899676093 663697980 /nfs/dbraw/zinc/69/79/80/663697980.db2.gz KACWCLGYWCHBSD-UHFFFAOYSA-N 1 0 385.559 2.548 20 0 GFADRO Cc1cc(I)ccc1NC(=O)c1ccnn1CC[NH+](C)C ZINC000899916391 663702561 /nfs/dbraw/zinc/70/25/61/663702561.db2.gz SQMVMWYFENNHLH-UHFFFAOYSA-N 1 0 398.248 2.610 20 0 GFADRO C[C@H](Cc1cccc(Br)c1)NC(=O)c1ccnn1CC[NH+](C)C ZINC000900377083 663713423 /nfs/dbraw/zinc/71/34/23/663713423.db2.gz HDNATTJSDAERDC-CYBMUJFWSA-N 1 0 379.302 2.568 20 0 GFADRO O=C(N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ncc(Br)s1 ZINC000900486286 663715548 /nfs/dbraw/zinc/71/55/48/663715548.db2.gz RKZCHGFGJDRCPR-BDJLRTHQSA-N 1 0 394.294 2.891 20 0 GFADRO CC(C)[NH+]1CCN(CCC(=O)N(C)CCc2ccc(Br)cc2)CC1 ZINC000900608513 663718004 /nfs/dbraw/zinc/71/80/04/663718004.db2.gz UDUXQMONKDYREQ-UHFFFAOYSA-N 1 0 396.373 2.866 20 0 GFADRO CC(C)[N@H+](C)Cc1cccc(CNC(=O)Cc2c(Br)cnn2C)c1 ZINC000900654683 663718815 /nfs/dbraw/zinc/71/88/15/663718815.db2.gz YLDJXVYZNYDYFL-UHFFFAOYSA-N 1 0 393.329 2.882 20 0 GFADRO CC[NH+]1CCN([C@H](C)CNC(=O)c2ccc(OC(F)F)c(Cl)c2)CC1 ZINC000900686623 663719815 /nfs/dbraw/zinc/71/98/15/663719815.db2.gz NOXLPYOJLGREBY-GFCCVEGCSA-N 1 0 375.847 2.697 20 0 GFADRO C[C@H](NC(=O)c1ccnn1CC[NH+](C)C)[C@@H](O)c1c(Cl)cccc1Cl ZINC000901136344 663730892 /nfs/dbraw/zinc/73/08/92/663730892.db2.gz CRCFCYKKVLZHSH-MEDUHNTESA-N 1 0 385.295 2.603 20 0 GFADRO COc1cc(Br)cc(NC(=O)CCN2CC[NH+](C(C)C)CC2)c1 ZINC000901268456 663733355 /nfs/dbraw/zinc/73/33/55/663733355.db2.gz CXCPDYBTOPYVKR-UHFFFAOYSA-N 1 0 384.318 2.812 20 0 GFADRO COC(=O)[C@H](NC[C@@H]1CC[N@@H+]1C1CCOCC1)c1cccc(Br)c1 ZINC000901622762 663739863 /nfs/dbraw/zinc/73/98/63/663739863.db2.gz FXTOUXCIOSLVSF-DLBZAZTESA-N 1 0 397.313 2.506 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCc2ncc(Br)n2C1)C(=O)Nc1cccc(F)c1 ZINC000901728082 663743701 /nfs/dbraw/zinc/74/37/01/663743701.db2.gz JXBFYQIJRJNDPT-GXFFZTMASA-N 1 0 381.249 2.716 20 0 GFADRO COc1c[nH]c(CO)c(C[NH2+]C2(c3cccc(Br)c3)CCC2)c1=O ZINC000902107164 663755432 /nfs/dbraw/zinc/75/54/32/663755432.db2.gz BGFZLCRNAMUNPG-UHFFFAOYSA-N 1 0 393.281 2.807 20 0 GFADRO CCOC(=O)[C@@H]1CC[N@H+](Cn2ccc(=O)c3cccc(Br)c32)C1 ZINC000902419054 663760951 /nfs/dbraw/zinc/76/09/51/663760951.db2.gz HTUDKMYOTNDOHX-GFCCVEGCSA-N 1 0 379.254 2.607 20 0 GFADRO C[C@@H]([NH2+]CC1(c2cccc(Br)c2)CCOCC1)c1cn(C)nn1 ZINC000902773293 663767392 /nfs/dbraw/zinc/76/73/92/663767392.db2.gz PICMRTGSBVLRHP-CYBMUJFWSA-N 1 0 379.302 2.977 20 0 GFADRO O=C1[C@@H]([NH2+][C@@H]2CC[C@@H]3[C@H]4OCC[C@H]4[C@@H]32)CCN1c1cccc(Br)c1 ZINC000902975079 663770188 /nfs/dbraw/zinc/77/01/88/663770188.db2.gz DPVFMORNWCLUCX-KHHDSSOXSA-N 1 0 391.309 2.958 20 0 GFADRO CC(C)COC[C@H](O)C[NH2+][C@H](C)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000903076002 663772423 /nfs/dbraw/zinc/77/24/23/663772423.db2.gz ILMRDEUDUBTESK-TZMCWYRMSA-N 1 0 383.432 2.664 20 0 GFADRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000903130801 663775198 /nfs/dbraw/zinc/77/51/98/663775198.db2.gz OSOQVJJXIMHGDM-GDLCADMTSA-N 1 0 378.416 2.545 20 0 GFADRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+][C@@H](C)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000903130804 663775271 /nfs/dbraw/zinc/77/52/71/663775271.db2.gz OSOQVJJXIMHGDM-ZLKJLUDKSA-N 1 0 378.416 2.545 20 0 GFADRO COc1cc([C@H](C)[NH2+]C[C@H]2CC[C@@H](C(F)(F)F)O2)ccc1S(C)(=O)=O ZINC000903180634 663777129 /nfs/dbraw/zinc/77/71/29/663777129.db2.gz GOKLDQHAGYQMAZ-NVBFEUDRSA-N 1 0 381.416 2.859 20 0 GFADRO CO[C@H](C[NH2+][C@H](C)c1cccc(S(=O)(=O)C(F)(F)F)c1)[C@@H]1CCOC1 ZINC000903195890 663778045 /nfs/dbraw/zinc/77/80/45/663778045.db2.gz CMWIEKJNUIFZPW-UXIGCNINSA-N 1 0 381.416 2.682 20 0 GFADRO O=S(=O)(c1cc(Cl)cc(Br)c1)N1CCC([NH+]2CCC2)CC1 ZINC000903204555 663778457 /nfs/dbraw/zinc/77/84/57/663778457.db2.gz SPDUYKSZICIZDI-UHFFFAOYSA-N 1 0 393.734 2.961 20 0 GFADRO O=S(=O)(c1cccc(Cl)c1Br)N1CCC([NH+]2CCC2)CC1 ZINC000903204123 663778493 /nfs/dbraw/zinc/77/84/93/663778493.db2.gz JRPURQBQXMTLAY-UHFFFAOYSA-N 1 0 393.734 2.961 20 0 GFADRO CCOC(=O)C(F)(F)[C@H]1CC[C@@H]([NH2+]Cc2ncc(Br)cn2)C1 ZINC000903320469 663781405 /nfs/dbraw/zinc/78/14/05/663781405.db2.gz IYNGQYPXKFEIMM-GXSJLCMTSA-N 1 0 378.217 2.696 20 0 GFADRO CO[C@]1(C[NH2+][C@H](C)c2ccc(OC(C)C)c(Cl)c2)CCS(=O)(=O)C1 ZINC000903364088 663782884 /nfs/dbraw/zinc/78/28/84/663782884.db2.gz UCTPZEASFVIGTG-DYVFJYSZSA-N 1 0 375.918 2.982 20 0 GFADRO CO[C@@]1(C[NH2+][C@@H](CSC)c2ccc(C(F)(F)F)cc2)CCS(=O)(=O)C1 ZINC000903364968 663783039 /nfs/dbraw/zinc/78/30/39/663783039.db2.gz GBYROTSRSRLQFR-LSDHHAIUSA-N 1 0 397.484 2.903 20 0 GFADRO CO[C@]1(C[NH2+][C@H](C)[C@H](C)Oc2ccc(Cl)cc2Cl)CCS(=O)(=O)C1 ZINC000903366599 663783045 /nfs/dbraw/zinc/78/30/45/663783045.db2.gz DNLVIMRCFYJROM-WQGACYEGSA-N 1 0 396.336 2.943 20 0 GFADRO O=c1ccn(CCC[NH2+][C@@H](c2ccc(Br)cc2)C2CC2)c(=O)[nH]1 ZINC000903432363 663784546 /nfs/dbraw/zinc/78/45/46/663784546.db2.gz MHZKPFOIOLHVRE-MRXNPFEDSA-N 1 0 378.270 2.842 20 0 GFADRO O=c1ccn(CCC[NH2+][C@@H]2CCCOc3ccc(Br)cc32)c(=O)[nH]1 ZINC000903432365 663784577 /nfs/dbraw/zinc/78/45/77/663784577.db2.gz MILDADPPUYUHCJ-CQSZACIVSA-N 1 0 394.269 2.605 20 0 GFADRO C[C@H]([NH2+][C@H]1CCc2ncc(Br)n2C1)c1ccc2c(c1)OCC(=O)N2 ZINC000903479523 663785361 /nfs/dbraw/zinc/78/53/61/663785361.db2.gz KSCGQQPMLDQSMR-JQWIXIFHSA-N 1 0 391.269 2.642 20 0 GFADRO Cn1cc(C[C@@H]2CCC[C@@H]2[NH2+][C@H]2CCc3ncc(Br)n3C2)cn1 ZINC000903479632 663785391 /nfs/dbraw/zinc/78/53/91/663785391.db2.gz MFMYCIYPSWTDHM-KKUMJFAQSA-N 1 0 378.318 2.695 20 0 GFADRO [NH3+][C@@H]1CCCO[C@H]1C1CCN(S(=O)(=O)c2cc3ccccc3s2)CC1 ZINC000903503833 663785827 /nfs/dbraw/zinc/78/58/27/663785827.db2.gz LNTSFODRMJWMMX-QAPCUYQASA-N 1 0 380.535 2.808 20 0 GFADRO [NH3+][C@@H]1CN(CC(=O)Nc2ccccc2Br)CC[C@@H]1C(F)(F)F ZINC000903533904 663787462 /nfs/dbraw/zinc/78/74/62/663787462.db2.gz LWCUCKKMNPUSNZ-GXSJLCMTSA-N 1 0 380.208 2.599 20 0 GFADRO [NH3+]CC1([C@@H]2CCCCN2S(=O)(=O)c2ccc(C(F)(F)F)nc2)CCC1 ZINC000903545863 663788035 /nfs/dbraw/zinc/78/80/35/663788035.db2.gz CDNSOMHBVMBHRE-AWEZNQCLSA-N 1 0 377.432 2.773 20 0 GFADRO [NH3+][C@H]1CN(S(=O)(=O)c2c(Cl)ccc(F)c2F)CC[C@@H]1C(F)(F)F ZINC000903578069 663789769 /nfs/dbraw/zinc/78/97/69/663789769.db2.gz BFJYKOXRBJOLQY-RCOVLWMOSA-N 1 0 378.750 2.518 20 0 GFADRO [NH3+][C@H]1CN(S(=O)(=O)c2ccc(CC(F)(F)F)cc2)CC[C@@H]1C(F)(F)F ZINC000903579699 663790047 /nfs/dbraw/zinc/79/00/47/663790047.db2.gz PBFKKZKBJDLTNE-RYUDHWBXSA-N 1 0 390.349 2.692 20 0 GFADRO Brc1ccccc1[C@@H]1CN(C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)CCO1 ZINC000903727110 663805092 /nfs/dbraw/zinc/80/50/92/663805092.db2.gz QJIXOFHMVBFGDH-WBAXXEDZSA-N 1 0 381.314 2.591 20 0 GFADRO Brc1cnc([C@@H]2CCCCN2C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)nc1 ZINC000903787406 663806706 /nfs/dbraw/zinc/80/67/06/663806706.db2.gz VWSBEAROSQUDEU-HLLBOEOZSA-N 1 0 381.318 2.535 20 0 GFADRO CCN(Cc1cnnn1[C@H]1CCC[NH2+]C1)Cc1cccc(Br)c1 ZINC000903884220 663810082 /nfs/dbraw/zinc/81/00/82/663810082.db2.gz VBCQKIBUIXCCOP-INIZCTEOSA-N 1 0 378.318 2.987 20 0 GFADRO COc1cc(Br)c(Cc2noc(CC3CC([NH3+])C3)n2)cc1OC ZINC000904100354 663823896 /nfs/dbraw/zinc/82/38/96/663823896.db2.gz CHNJXUOUHOBOLH-UHFFFAOYSA-N 1 0 382.258 2.720 20 0 GFADRO CC1(C)C[NH2+]C[C@H]1c1nc(Cc2cc(Br)c3c(c2)OCCO3)no1 ZINC000904103454 663824550 /nfs/dbraw/zinc/82/45/50/663824550.db2.gz XETIAZWGQYZZLL-NSHDSACASA-N 1 0 394.269 2.907 20 0 GFADRO O=C(Nc1ccccc1I)NC1(C2CC[NH2+]CC2)CC1 ZINC000904274341 663829891 /nfs/dbraw/zinc/82/98/91/663829891.db2.gz LYPGEKBJWBPARO-UHFFFAOYSA-N 1 0 385.249 2.945 20 0 GFADRO O=C(Nc1ccc(Br)c(F)c1)N1CC[NH2+]CCC12CCOCC2 ZINC000904354944 663831332 /nfs/dbraw/zinc/83/13/32/663831332.db2.gz HKWDAZSWEAFXBB-UHFFFAOYSA-N 1 0 386.265 2.965 20 0 GFADRO CC1(C)C[NH2+]C[C@@H]1NC(=O)Nc1ccc(F)cc1I ZINC000904366805 663831797 /nfs/dbraw/zinc/83/17/97/663831797.db2.gz PVQCIRSSLYMODR-NSHDSACASA-N 1 0 377.201 2.550 20 0 GFADRO COC[C@H]1C[NH2+]CCN1C(=O)Nc1cc(Br)ccc1N1CCCC1 ZINC000904378647 663831951 /nfs/dbraw/zinc/83/19/51/663831951.db2.gz GQRWQBTZHXYMSK-CQSZACIVSA-N 1 0 397.317 2.501 20 0 GFADRO COc1cc(NC(=O)N[C@]23CCC[C@H]2C[NH2+]C3)cc(OC)c1Br ZINC000904405543 663832816 /nfs/dbraw/zinc/83/28/16/663832816.db2.gz NJWMXHHSAIYQRF-QFYYESIMSA-N 1 0 384.274 2.730 20 0 GFADRO COCC[C@H]1C[NH2+]CCN1C(=O)Nc1cc(F)c(Br)c(F)c1 ZINC000904406549 663833018 /nfs/dbraw/zinc/83/30/18/663833018.db2.gz GTGBLCVYZWWGRO-JTQLQIEISA-N 1 0 378.217 2.570 20 0 GFADRO COCCOc1ccc(NC(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)cc1Br ZINC000904550228 663837704 /nfs/dbraw/zinc/83/77/04/663837704.db2.gz DCXJEEHUQFUKAB-SWLSCSKDSA-N 1 0 398.301 2.690 20 0 GFADRO COCCOc1ccc(NC(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1Br ZINC000904550231 663837709 /nfs/dbraw/zinc/83/77/09/663837709.db2.gz DCXJEEHUQFUKAB-WFASDCNBSA-N 1 0 398.301 2.690 20 0 GFADRO COCCOc1ccc(NC(=O)N[C@@H]2CC[NH2+]C[C@H]2C)cc1Br ZINC000904550430 663837718 /nfs/dbraw/zinc/83/77/18/663837718.db2.gz FKXPCMYKOYMRPX-BXUZGUMPSA-N 1 0 386.290 2.594 20 0 GFADRO COCCOc1ccc(NC(=O)NC[C@@H]2CCCC[NH2+]2)cc1Br ZINC000904551039 663837901 /nfs/dbraw/zinc/83/79/01/663837901.db2.gz KLSDTKOUFBNSLK-ZDUSSCGKSA-N 1 0 386.290 2.738 20 0 GFADRO C[NH2+]C[C@H]1CCCN1C(=O)Nc1ccc(OCCOC)c(Br)c1 ZINC000904550948 663837977 /nfs/dbraw/zinc/83/79/77/663837977.db2.gz IEQNEVKQULJQHA-CYBMUJFWSA-N 1 0 386.290 2.690 20 0 GFADRO COCCOc1ccc(NC(=O)N2CC[C@H]([NH3+])[C@@H](C)C2)cc1Br ZINC000904552315 663838212 /nfs/dbraw/zinc/83/82/12/663838212.db2.gz UCCNNIFXRBEDGZ-FZMZJTMJSA-N 1 0 386.290 2.675 20 0 GFADRO Brc1cc2c(cc1Cc1noc(C34CCC(CC3)[NH2+]4)n1)OCO2 ZINC000904664722 663839611 /nfs/dbraw/zinc/83/96/11/663839611.db2.gz IDOYBHDUXXLAHO-UHFFFAOYSA-N 1 0 378.226 2.893 20 0 GFADRO O=C(C[C@H](O)C(Cl)(Cl)Cl)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000905068247 663851290 /nfs/dbraw/zinc/85/12/90/663851290.db2.gz ZETPJTSLJZMIFA-AWEZNQCLSA-N 1 0 379.715 2.888 20 0 GFADRO C[C@@H]1C[C@H]([NH2+]C[C@H](O)c2ccc(Cl)c(Cl)c2)C(=O)N1c1cnn(C)c1 ZINC000905144456 663855161 /nfs/dbraw/zinc/85/51/61/663855161.db2.gz JFKWGVYASWZELO-VFVAKGGASA-N 1 0 383.279 2.544 20 0 GFADRO O[C@H](CC[C@@H](O)c1ccccc1)C[NH2+]CCCn1cc(Br)cn1 ZINC000905263705 663863313 /nfs/dbraw/zinc/86/33/13/663863313.db2.gz WATORCVSDZDEPQ-IAGOWNOFSA-N 1 0 382.302 2.500 20 0 GFADRO [NH3+]CC[C@@H]1CN(S(=O)(=O)c2cc3nc(Cl)ncc3s2)c2ccccc21 ZINC000905341648 663866479 /nfs/dbraw/zinc/86/64/79/663866479.db2.gz CHPHFWYZHVXFGT-SNVBAGLBSA-N 1 0 394.909 2.986 20 0 GFADRO C[NH+]1CCC(NC(=O)c2ccc(Cn3cc(Br)cn3)s2)CC1 ZINC000905347159 663866707 /nfs/dbraw/zinc/86/67/07/663866707.db2.gz KUUAZLZOGUQJHN-UHFFFAOYSA-N 1 0 383.315 2.579 20 0 GFADRO CCC(F)(F)C(C)(C)C[NH2+]C[C@@H](O)C1(S(=O)(=O)NC(C)(C)C)CCC1 ZINC000905387838 663868899 /nfs/dbraw/zinc/86/88/99/663868899.db2.gz YXPLOVWAGYMCOW-CYBMUJFWSA-N 1 0 384.533 2.649 20 0 GFADRO COc1cccc([C@H](CNC(=O)C[C@H](O)C(Cl)(Cl)Cl)[NH+](C)C)c1 ZINC000905392701 663869339 /nfs/dbraw/zinc/86/93/39/663869339.db2.gz NVIIRJWRWLGKSL-STQMWFEESA-N 1 0 383.703 2.535 20 0 GFADRO C[C@@](O)(C[NH2+]C[C@H](CO)Cc1ccoc1)c1ccc(Br)cc1F ZINC000905420301 663870847 /nfs/dbraw/zinc/87/08/47/663870847.db2.gz RMUWLJFPCONECB-CXAGYDPISA-N 1 0 386.261 2.830 20 0 GFADRO COC(=O)C1CC2(C1)C[C@@H]([NH2+]C[C@@H](O)c1ccccc1Br)CCO2 ZINC000905489981 663873806 /nfs/dbraw/zinc/87/38/06/663873806.db2.gz NWFJGHVWTJWBKD-DHQVXWHISA-N 1 0 398.297 2.573 20 0 GFADRO CC(C)(C)OC(=O)N1CCC(F)(F)[C@@H](C[NH2+]C[C@H](O)CC(F)(F)F)C1 ZINC000905489627 663873916 /nfs/dbraw/zinc/87/39/16/663873916.db2.gz CGEGBKXQGAOGOP-WDEREUQCSA-N 1 0 376.366 2.782 20 0 GFADRO CN1C[C@@H](CC[NH2+]C[C@](C)(O)c2ccc(Br)cc2Cl)CC1=O ZINC000905525833 663876327 /nfs/dbraw/zinc/87/63/27/663876327.db2.gz RMVFNQUTBPZWDN-ZBEGNZNMSA-N 1 0 389.721 2.768 20 0 GFADRO O[C@H](C[NH2+]CC1(C2(O)CCOCC2)CC1)COc1ccc(Cl)c(Cl)c1 ZINC000905552173 663878112 /nfs/dbraw/zinc/87/81/12/663878112.db2.gz NDXNEZYEYPVHSX-CYBMUJFWSA-N 1 0 390.307 2.644 20 0 GFADRO CSc1ccc(OC[C@@H](O)C[NH2+]Cc2cc(C(F)(F)F)nn2C)cc1 ZINC000905570504 663879229 /nfs/dbraw/zinc/87/92/29/663879229.db2.gz XOFMRTINMHOZAW-LBPRGKRZSA-N 1 0 375.416 2.690 20 0 GFADRO COC(=O)[C@@H]1C[C@@H]2C[C@H]([NH2+]C[C@@H](O)COc3c(Cl)cccc3Cl)[C@@H]2C1 ZINC000905654869 663884027 /nfs/dbraw/zinc/88/40/27/663884027.db2.gz RVZZKFINGPMMDQ-ZPFNRVMVSA-N 1 0 388.291 2.910 20 0 GFADRO CN(c1cccc(C[NH2+]C[C@H](O)c2ccc(Cl)c(F)c2)c1)S(C)(=O)=O ZINC000905698914 663887296 /nfs/dbraw/zinc/88/72/96/663887296.db2.gz QLJKFUWJSMEBFY-KRWDZBQOSA-N 1 0 386.876 2.698 20 0 GFADRO C[C@H]([NH2+][C@H]1CCOc2ccc(Br)cc21)C(=O)NCC(F)(F)F ZINC000905852945 663896776 /nfs/dbraw/zinc/89/67/76/663896776.db2.gz OYBHBEHUDRITGT-KWQFWETISA-N 1 0 381.192 2.929 20 0 GFADRO O=C1[C@@H]([NH2+][C@@H]2CCOc3ccc(Br)cc32)CCN1C1CCOCC1 ZINC000905855896 663897147 /nfs/dbraw/zinc/89/71/47/663897147.db2.gz MSLVHXZTQGAYGL-CVEARBPZSA-N 1 0 395.297 2.642 20 0 GFADRO Cc1ccc(C[NH+](C)C)cc1NS(=O)(=O)N=[S@](C)(=O)c1ccccc1 ZINC000906066182 663919345 /nfs/dbraw/zinc/91/93/45/663919345.db2.gz YUZMHBJEFCRBRG-XMMPIXPASA-N 1 0 381.523 2.870 20 0 GFADRO C[C@H]1CCCC[N@@H+]1CCNC(=O)c1cc(Br)cn(C2CC2)c1=O ZINC000906171652 663930351 /nfs/dbraw/zinc/93/03/51/663930351.db2.gz CGYUTKRMFDMBPE-LBPRGKRZSA-N 1 0 382.302 2.550 20 0 GFADRO O=C(NC1CC[NH+](CC2CC2)CC1)c1cc(Br)cn(C2CC2)c1=O ZINC000906327582 663938120 /nfs/dbraw/zinc/93/81/20/663938120.db2.gz ULQOOYAKJURURC-UHFFFAOYSA-N 1 0 394.313 2.550 20 0 GFADRO [NH3+]C[C@H]1C[C@H](NC(=O)C(=O)Nc2ccc(Br)c(Cl)c2Cl)C1 ZINC000906742309 663968011 /nfs/dbraw/zinc/96/80/11/663968011.db2.gz UMEVEDNZEDCSSH-LJGSYFOKSA-N 1 0 395.084 2.548 20 0 GFADRO [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C2 ZINC000906756257 663968695 /nfs/dbraw/zinc/96/86/95/663968695.db2.gz UFYJGVADRLYSMC-QXEWZRGKSA-N 1 0 375.778 2.636 20 0 GFADRO O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)N[C@]12CCC[C@H]1C[NH2+]C2 ZINC000906778552 663970162 /nfs/dbraw/zinc/97/01/62/663970162.db2.gz FIOQJWFLMPXTIV-VFZGTOFNSA-N 1 0 375.778 2.556 20 0 GFADRO Cc1cc(Br)c(CC(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)s1 ZINC000906917394 663982117 /nfs/dbraw/zinc/98/21/17/663982117.db2.gz IDJKCKORQJWEIZ-CYBMUJFWSA-N 1 0 387.343 2.542 20 0 GFADRO C[C@H](CCNC(=O)c1cc(Br)cn(C2CC2)c1=O)[NH+]1CCCCC1 ZINC000907342189 664025615 /nfs/dbraw/zinc/02/56/15/664025615.db2.gz WNWLOLCEVQYYEM-CYBMUJFWSA-N 1 0 396.329 2.940 20 0 GFADRO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)S(=O)(=O)N3CCC[C@@H](C)C3)C2)s1 ZINC000907345899 664025704 /nfs/dbraw/zinc/02/57/04/664025704.db2.gz LNYUQZQUCIPUDZ-WBVHZDCISA-N 1 0 385.599 2.787 20 0 GFADRO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)S(=O)(=O)[C@@H]3COC(C)(C)C3)C2)s1 ZINC000907345794 664026037 /nfs/dbraw/zinc/02/60/37/664026037.db2.gz JKNPPVMXBITVMH-RDJZCZTQSA-N 1 0 386.583 2.708 20 0 GFADRO CCN(CCC[NH+]1CCCC1)C(=O)c1cc(Br)cn(C2CC2)c1=O ZINC000907662975 664051811 /nfs/dbraw/zinc/05/18/11/664051811.db2.gz IFPVPRISFRHMSE-UHFFFAOYSA-N 1 0 396.329 2.894 20 0 GFADRO CN(Cc1cc(Br)ccc1Cl)C(=O)[C@]1(C)C[C@@H](O)C[N@@H+]1C ZINC000907726608 664056063 /nfs/dbraw/zinc/05/60/63/664056063.db2.gz RSIFGWVYOHXAQN-DOMZBBRYSA-N 1 0 375.694 2.516 20 0 GFADRO Cc1cc(Br)c(CC(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)s1 ZINC000907757799 664059227 /nfs/dbraw/zinc/05/92/27/664059227.db2.gz XFVXMQVZMJTZNN-LBPRGKRZSA-N 1 0 389.359 2.979 20 0 GFADRO O=C(NCC1CC[NH+](C2CC2)CC1)C(F)(F)c1ncccc1Br ZINC000907783433 664061799 /nfs/dbraw/zinc/06/17/99/664061799.db2.gz TUEQXXKVXMXENX-UHFFFAOYSA-N 1 0 388.256 2.927 20 0 GFADRO COc1ccc([C@H](C[NH+](C)C)NC(=O)C[C@H](O)C(Cl)(Cl)Cl)cc1 ZINC000908090685 664082671 /nfs/dbraw/zinc/08/26/71/664082671.db2.gz DSVYSLZLQRNHQN-STQMWFEESA-N 1 0 383.703 2.535 20 0 GFADRO CCn1c(Br)ncc1C(=O)N(C)CCC[N@H+](C)Cc1ccco1 ZINC000908183915 664090474 /nfs/dbraw/zinc/09/04/74/664090474.db2.gz UIKBYINXTPSSOW-UHFFFAOYSA-N 1 0 383.290 2.853 20 0 GFADRO Cn1ncc(Br)c1CC(=O)N1CCC2(CCC([NH+](C)C)CC2)CC1 ZINC000908504639 664111539 /nfs/dbraw/zinc/11/15/39/664111539.db2.gz ZLBULWLCOZGOCD-UHFFFAOYSA-N 1 0 397.361 2.838 20 0 GFADRO Cc1cc(Br)c(CC(=O)N2CCC(CO)([NH2+]C(C)C)CC2)s1 ZINC000908611067 664117758 /nfs/dbraw/zinc/11/77/58/664117758.db2.gz XMSCFNSYCXSBHG-UHFFFAOYSA-N 1 0 389.359 2.713 20 0 GFADRO C[NH+](C)CCn1nccc1C(=O)NC/C=C/c1ccc(Br)cc1 ZINC000908672789 664120791 /nfs/dbraw/zinc/12/07/91/664120791.db2.gz DTSNFLSFTHQILP-ONEGZZNKSA-N 1 0 377.286 2.650 20 0 GFADRO C[NH+]1CCN(c2cccc(C(=O)Nc3cccc(O)c3Br)n2)CC1 ZINC000908709758 664122463 /nfs/dbraw/zinc/12/24/63/664122463.db2.gz SWTJPECAIRCJKR-UHFFFAOYSA-N 1 0 391.269 2.554 20 0 GFADRO C[N@@H+]1CCC[C@@](O)(CC(=O)N2CC[C@H](c3cccc(Br)c3)C2)C1 ZINC000908976386 664139377 /nfs/dbraw/zinc/13/93/77/664139377.db2.gz XQCRQWQKLXQTML-MAUKXSAKSA-N 1 0 381.314 2.612 20 0 GFADRO Cc1oc(Br)cc1C(=O)N1CCC(C[N@@H+](CCO)C(C)C)CC1 ZINC000910876073 664230821 /nfs/dbraw/zinc/23/08/21/664230821.db2.gz UMLUZZBAHRHOBI-UHFFFAOYSA-N 1 0 387.318 2.905 20 0 GFADRO C[NH+](C)C1(CNC(=O)c2ccc(Cn3cc(Br)cn3)s2)CC1 ZINC000910927507 664231311 /nfs/dbraw/zinc/23/13/11/664231311.db2.gz AABQBSSJDFBBSP-UHFFFAOYSA-N 1 0 383.315 2.579 20 0 GFADRO CC(C)(CNC(=O)C(=O)N1CC[C@@H](CC[NH3+])C1)c1ccc(Cl)c(Cl)c1 ZINC000911155805 664236904 /nfs/dbraw/zinc/23/69/04/664236904.db2.gz LYQNKPTXDNBGST-GFCCVEGCSA-N 1 0 386.323 2.585 20 0 GFADRO CC(C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)NC[C@@H]1C[NH2+]C[C@H]1C ZINC000911378314 664244211 /nfs/dbraw/zinc/24/42/11/664244211.db2.gz OKJJRRXACSDCON-OCCSQVGLSA-N 1 0 386.323 2.702 20 0 GFADRO C[NH2+]C[C@@H]1CCCN(C(=O)c2ccc(Cn3cc(Br)cn3)s2)C1 ZINC000911632667 664250925 /nfs/dbraw/zinc/25/09/25/664250925.db2.gz BARKTQPOAMXHGF-LBPRGKRZSA-N 1 0 397.342 2.827 20 0 GFADRO C[C@@H]([NH3+])C1CCN(C(=O)c2cc(Br)c(Br)[nH]2)CC1 ZINC000911755068 664255435 /nfs/dbraw/zinc/25/54/35/664255435.db2.gz YSTHPOHEWMIQOV-SSDOTTSWSA-N 1 0 379.096 2.739 20 0 GFADRO CCCN(C(=O)c1ccc(Cn2cc(Br)cn2)s1)[C@H]1CC[NH2+]C1 ZINC000911769108 664256122 /nfs/dbraw/zinc/25/61/22/664256122.db2.gz TWMWBVMTCJXMLC-ZDUSSCGKSA-N 1 0 397.342 2.970 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)c2cc3ccc(Br)cc3c(=O)o2)C1 ZINC000911825437 664257495 /nfs/dbraw/zinc/25/74/95/664257495.db2.gz ODSYNKNZLDESHI-CMPLNLGQSA-N 1 0 379.254 2.755 20 0 GFADRO C[C@@H](Oc1cc(Cl)cc(Cl)c1)C(=O)N(CCO)C1CC[NH+](C)CC1 ZINC000911937683 664262894 /nfs/dbraw/zinc/26/28/94/664262894.db2.gz ZZJWBEULWZAUTP-GFCCVEGCSA-N 1 0 375.296 2.676 20 0 GFADRO C[C@@]1(C(=O)Nc2nc(-c3cccc(Br)c3)cs2)C[C@@H](O)C[NH2+]1 ZINC000911967735 664264260 /nfs/dbraw/zinc/26/42/60/664264260.db2.gz LXFLIFBZSXOZDI-ABAIWWIYSA-N 1 0 382.283 2.624 20 0 GFADRO Cc1ccc(NC(=O)C2([C@H](C)[NH3+])CCOCC2)cc1I ZINC000911992733 664265392 /nfs/dbraw/zinc/26/53/92/664265392.db2.gz VEJJJEGORFCKKR-NSHDSACASA-N 1 0 388.249 2.682 20 0 GFADRO CCC[C@@H](NC(=O)c1cc(Br)cn(CC[NH3+])c1=O)c1ccccc1 ZINC000912076838 664269541 /nfs/dbraw/zinc/26/95/41/664269541.db2.gz YJVXZKJLKWEASG-MRXNPFEDSA-N 1 0 392.297 2.841 20 0 GFADRO Cc1nc(-c2ccc(CCNC(=O)c3ccn(CCC[NH3+])n3)s2)cs1 ZINC000912154427 664271963 /nfs/dbraw/zinc/27/19/63/664271963.db2.gz ADGODGPSGGPRAC-UHFFFAOYSA-N 1 0 375.523 2.698 20 0 GFADRO NC(=O)c1cc(NC(=O)c2cnc(CC3CC[NH2+]CC3)s2)ccc1Cl ZINC000912300820 664281353 /nfs/dbraw/zinc/28/13/53/664281353.db2.gz HGSHANJXKYCRPY-UHFFFAOYSA-N 1 0 378.885 2.690 20 0 GFADRO C[C@]1(NC(=O)C[C@@H]2Sc3ccc(Cl)cc3NC2=O)C[NH+]2CCC1CC2 ZINC000912379795 664284295 /nfs/dbraw/zinc/28/42/95/664284295.db2.gz PJFDRAOGJUMZGZ-YJBOKZPZSA-N 1 0 379.913 2.743 20 0 GFADRO COC(=O)C[C@@H](NC(=O)[C@@H]1CC[NH2+][C@H](C)C1)c1ccc(Br)cc1 ZINC000912454000 664287291 /nfs/dbraw/zinc/28/72/91/664287291.db2.gz KQMKXLHUPCOLIH-UXIGCNINSA-N 1 0 383.286 2.558 20 0 GFADRO Cc1nc(NC(=O)[C@H]2CCCCC23CC[NH2+]CC3)sc1SCC(N)=O ZINC000912479094 664289560 /nfs/dbraw/zinc/28/95/60/664289560.db2.gz PBLJOEZKHIDWFL-GFCCVEGCSA-N 1 0 382.555 2.527 20 0 GFADRO CN(CC[N@H+](C)CCO)C(=O)c1[nH]c2ccc(Br)cc2c1Cl ZINC000912610004 664294688 /nfs/dbraw/zinc/29/46/88/664294688.db2.gz XLVWZVNDKPHVBD-UHFFFAOYSA-N 1 0 388.693 2.580 20 0 GFADRO Cc1ccc(-n2nc(Br)cc2C(=O)N2CC[C@@H]([NH+]3CCC3)C2)cc1 ZINC000912914853 664309903 /nfs/dbraw/zinc/30/99/03/664309903.db2.gz GKCOYOPHOSKOSV-OAHLLOKOSA-N 1 0 389.297 2.863 20 0 GFADRO C[N@@H+]1C[C@@]2(C)CN(C(=O)c3cnn(C(C)(C)C)c3Br)C[C@@]2(C)C1 ZINC000913274625 664330646 /nfs/dbraw/zinc/33/06/46/664330646.db2.gz ODWBOGQBDWDESD-CALCHBBNSA-N 1 0 383.334 2.814 20 0 GFADRO C[N@@H+]1C[C@@]2(C)CN(C(=O)c3cnc4ncc(Br)cc4c3)C[C@@]2(C)C1 ZINC000913281931 664331377 /nfs/dbraw/zinc/33/13/77/664331377.db2.gz VCBWNFPDZBSEBM-HDICACEKSA-N 1 0 389.297 2.806 20 0 GFADRO CC(C)[NH+]1CCC(NC(=O)N2CCC[C@@H]2c2ncc(Br)cn2)CC1 ZINC000913881311 664363147 /nfs/dbraw/zinc/36/31/47/664363147.db2.gz SQCGMUPKIIRRRO-OAHLLOKOSA-N 1 0 396.333 2.958 20 0 GFADRO O=C(NCc1coc(-c2cccs2)n1)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000913971316 664369689 /nfs/dbraw/zinc/36/96/89/664369689.db2.gz CCBSUEVBHWNDKY-KGLIPLIRSA-N 1 0 378.523 2.782 20 0 GFADRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)NCc2cnc(Br)cn2)C1 ZINC000914102690 664376851 /nfs/dbraw/zinc/37/68/51/664376851.db2.gz ZBXFZFXCDFRXQR-ZIAGYGMSSA-N 1 0 398.349 2.796 20 0 GFADRO O=S(=O)(c1cnc(-c2ccccc2)s1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000914169715 664381290 /nfs/dbraw/zinc/38/12/90/664381290.db2.gz ZSZGXXYNGAWMQW-OAHLLOKOSA-N 1 0 377.535 2.917 20 0 GFADRO O=S(=O)(c1occc1Br)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000914193740 664384510 /nfs/dbraw/zinc/38/45/10/664384510.db2.gz KZGLLTQIZJKFAR-GFCCVEGCSA-N 1 0 377.304 2.539 20 0 GFADRO C[N@@H+]1CC[C@H]2[C@H](CCCN2S(=O)(=O)c2cnc(-c3ccccc3)s2)C1 ZINC000914268198 664392853 /nfs/dbraw/zinc/39/28/53/664392853.db2.gz URNJFAFVMGLILQ-CVEARBPZSA-N 1 0 377.535 2.915 20 0 GFADRO C[N@@H+]1CCC[C@@H](NC(=O)N2CCCC[C@H]2c2ncc(Br)cn2)C1 ZINC000914315117 664398082 /nfs/dbraw/zinc/39/80/82/664398082.db2.gz LAKXWYTWKRRLRG-KGLIPLIRSA-N 1 0 382.306 2.570 20 0 GFADRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N(C)Cc1ncc(Br)cn1 ZINC000914341005 664401536 /nfs/dbraw/zinc/40/15/36/664401536.db2.gz JYNJKKMWLIYSAR-CHWSQXEVSA-N 1 0 384.322 2.501 20 0 GFADRO CCC1([NH+]2CCCC2)CCN(C(=O)NCc2ncc(Br)cn2)CC1 ZINC000914436431 664410245 /nfs/dbraw/zinc/41/02/45/664410245.db2.gz VGQQNELKQQSRGW-UHFFFAOYSA-N 1 0 396.333 2.789 20 0 GFADRO C[NH+](C)[C@@H]1CCCN(S(=O)(=O)Cc2ccsc2Br)CC1 ZINC000914983483 664418699 /nfs/dbraw/zinc/41/86/99/664418699.db2.gz LBKDYHUVXVDMKW-GFCCVEGCSA-N 1 0 381.361 2.757 20 0 GFADRO COc1ccccc1[C@@H](O)C[NH2+]C[C@@H](O)COc1cccc(Br)c1 ZINC000915227380 664424496 /nfs/dbraw/zinc/42/44/96/664424496.db2.gz TZNMDOFEDPSIPP-PBHICJAKSA-N 1 0 396.281 2.521 20 0 GFADRO COC(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000915354399 664428946 /nfs/dbraw/zinc/42/89/46/664428946.db2.gz LXIHOGPLBZCWPG-CHWSQXEVSA-N 1 0 388.917 2.525 20 0 GFADRO CC(C)[C@H](C[NH+](C)C)NC(=O)/C=C/c1ccc(I)o1 ZINC000915623505 664435955 /nfs/dbraw/zinc/43/59/55/664435955.db2.gz HAJHZDHZDVJFQD-WMADIVHISA-N 1 0 376.238 2.600 20 0 GFADRO CCOC(=O)N[C@H]1CCC[N@H+](C[C@H](O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000915683112 664437558 /nfs/dbraw/zinc/43/75/58/664437558.db2.gz OYNSCIGMTIKQIQ-STQMWFEESA-N 1 0 391.295 2.944 20 0 GFADRO CCOC(=O)N[C@@H]1CCC[N@H+](C[C@H](O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000915683110 664437564 /nfs/dbraw/zinc/43/75/64/664437564.db2.gz OYNSCIGMTIKQIQ-OLZOCXBDSA-N 1 0 391.295 2.944 20 0 GFADRO CC[C@H](CO)[NH2+]CC(=O)Nc1c(Br)cc(C)cc1Br ZINC000916570409 664465229 /nfs/dbraw/zinc/46/52/29/664465229.db2.gz BURCARZXJFAMMO-SECBINFHSA-N 1 0 394.107 2.819 20 0 GFADRO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]CCSC(F)(F)F ZINC000916838688 664473085 /nfs/dbraw/zinc/47/30/85/664473085.db2.gz RMTINRNNAYTJSB-VIFPVBQESA-N 1 0 391.868 2.547 20 0 GFADRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)NCC2(n3cc(Br)cn3)CC2)C1 ZINC000916865008 664473467 /nfs/dbraw/zinc/47/34/67/664473467.db2.gz DOESYXGPMGPKAU-AWEZNQCLSA-N 1 0 398.349 2.554 20 0 GFADRO CN(CCN(C)S(=O)(=O)/C=C\c1ccc(Cl)cc1)C1CC[NH+](C)CC1 ZINC000917658197 664488235 /nfs/dbraw/zinc/48/82/35/664488235.db2.gz DCANMIWLUXRJOK-GDNBJRDFSA-N 1 0 385.961 2.598 20 0 GFADRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCC[C@@H]1c1ncc(Br)cn1 ZINC000917897868 664492294 /nfs/dbraw/zinc/49/22/94/664492294.db2.gz FEEYGYRKAWRSSJ-HUUCEWRRSA-N 1 0 396.333 2.960 20 0 GFADRO CN1CC[NH+](CCCCNC(=O)CSc2nc3ccccc3s2)CC1 ZINC000918566646 664501044 /nfs/dbraw/zinc/50/10/44/664501044.db2.gz XJUJCZRFIDTDEJ-UHFFFAOYSA-N 1 0 378.567 2.532 20 0 GFADRO CCN(CC)Cc1csc(NC(=O)c2cccc(NS(C)(=O)=O)c2)n1 ZINC000919756522 664517560 /nfs/dbraw/zinc/51/75/60/664517560.db2.gz LCICYQPQJRWELV-UHFFFAOYSA-N 1 0 382.511 2.609 20 0 GFADRO CC(C)(C)[S@](C)(=O)=NS(=O)(=O)NC1CCC(C)([NH+]2CCCC2)CC1 ZINC000921272533 664539929 /nfs/dbraw/zinc/53/99/29/664539929.db2.gz PKLOSEJVMWIPIK-DWFFKFSKSA-N 1 0 379.592 2.514 20 0 GFADRO COc1ccc(Cl)c(S(=O)(=O)N[C@H](CC[NH+](C)C)c2cccnc2)c1 ZINC000921481348 664550166 /nfs/dbraw/zinc/55/01/66/664550166.db2.gz HUFREQVIZPZDEX-MRXNPFEDSA-N 1 0 383.901 2.715 20 0 GFADRO Cc1nc(CNC2CC[NH+](C3CCN(C)CC3)CC2)sc1Br ZINC000921627365 664558209 /nfs/dbraw/zinc/55/82/09/664558209.db2.gz HMEDWGZBRWNHGS-UHFFFAOYSA-N 1 0 387.391 2.862 20 0 GFADRO Cc1nn(C)c(C[NH2+]C[C@@H](O)COc2ccccc2Br)c1Cl ZINC000921855439 664572803 /nfs/dbraw/zinc/57/28/03/664572803.db2.gz FUPRYYKSQBCWSP-LLVKDONJSA-N 1 0 388.693 2.674 20 0 GFADRO COc1cc(Br)ccc1CCC[NH2+]Cc1c2c(nn1C)CCOC2 ZINC000921991114 664580658 /nfs/dbraw/zinc/58/06/58/664580658.db2.gz KJYAEAMMARGOOM-UHFFFAOYSA-N 1 0 394.313 2.986 20 0 GFADRO COc1cc(C[NH2+]CC2C[C@H]3CC[C@@H](C2)S3)cc(Cl)c1OCC(N)=O ZINC000922425566 664601210 /nfs/dbraw/zinc/60/12/10/664601210.db2.gz XLYCFMGNBDRCKU-QXMXGUDHSA-N 1 0 384.929 2.977 20 0 GFADRO CCC[N@@H+]1CCC[C@H]1CNC(=O)NC1(c2ncc(Br)cn2)CCC1 ZINC000922465029 664602835 /nfs/dbraw/zinc/60/28/35/664602835.db2.gz CHTNOWXDGQAAHJ-AWEZNQCLSA-N 1 0 396.333 2.792 20 0 GFADRO CN1C[C@H](CC[NH2+]Cc2cnn(-c3ccc(Br)cc3)c2)CC1=O ZINC000922490228 664603766 /nfs/dbraw/zinc/60/37/66/664603766.db2.gz WBPBTXTWIJTKPT-CYBMUJFWSA-N 1 0 377.286 2.593 20 0 GFADRO OC1(C[NH2+]Cc2cc(Br)cnc2Cl)CCC2(CC1)OCCO2 ZINC000922622222 664608883 /nfs/dbraw/zinc/60/88/83/664608883.db2.gz UVDRGFHWGHIBMX-UHFFFAOYSA-N 1 0 391.693 2.635 20 0 GFADRO CCOc1c(Br)cc(C[NH2+]C[C@H]2C[C@@H]3COC[C@@H]3O2)cc1OC ZINC000922727535 664612220 /nfs/dbraw/zinc/61/22/20/664612220.db2.gz AEUKRVROLJZRNH-IOASZLSFSA-N 1 0 386.286 2.750 20 0 GFADRO CC(C)(C[NH2+]Cc1cc(Br)cc2c1OCC2)CS(C)(=O)=O ZINC000922739360 664613007 /nfs/dbraw/zinc/61/30/07/664613007.db2.gz KHJLMPAZSXKFJG-UHFFFAOYSA-N 1 0 376.316 2.544 20 0 GFADRO CS(=O)(=O)C[C@@H](O)C[NH2+]Cc1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000922827303 664615933 /nfs/dbraw/zinc/61/59/33/664615933.db2.gz PGDFACQXFFDHDN-NSHDSACASA-N 1 0 378.277 2.749 20 0 GFADRO Ic1ccc(C[NH2+]C[C@H]2CCN2C2CCOCC2)s1 ZINC000922955238 664619999 /nfs/dbraw/zinc/61/99/99/664619999.db2.gz YRGJEEZMYJGFGH-GFCCVEGCSA-N 1 0 392.306 2.696 20 0 GFADRO Cn1nnc2c1C[C@H]([NH2+]Cc1c[nH]nc1-c1ccc(Br)s1)CC2 ZINC000922991545 664620423 /nfs/dbraw/zinc/62/04/23/664620423.db2.gz IUAAYTATCLOHJZ-SNVBAGLBSA-N 1 0 393.314 2.676 20 0 GFADRO Cn1nnc2c1C[C@H]([NH2+]Cc1nc(-c3cccc(Br)c3)c[nH]1)CC2 ZINC000922994986 664620619 /nfs/dbraw/zinc/62/06/19/664620619.db2.gz YDGRQOVHCQZNMH-CYBMUJFWSA-N 1 0 387.285 2.615 20 0 GFADRO C[NH2+]C[C@@H]1CCCN(Cc2cc(OC)c(C(=O)OC)cc2Br)C1 ZINC000923281541 664627348 /nfs/dbraw/zinc/62/73/48/664627348.db2.gz HJSHLDFOMVSCMT-LBPRGKRZSA-N 1 0 385.302 2.676 20 0 GFADRO O=C(CN1CC[C@@]2(C1)CCCC[NH2+]2)Nc1c(F)cc(F)cc1Br ZINC000923537503 664633263 /nfs/dbraw/zinc/63/32/63/664633263.db2.gz CQJNUZVAJGPRLW-MRXNPFEDSA-N 1 0 388.256 2.884 20 0 GFADRO C[NH+](C)CCN(Cc1cccs1)C(=O)NC[C@@H]1CC[C@H](C(F)(F)F)O1 ZINC000924501646 664656319 /nfs/dbraw/zinc/65/63/19/664656319.db2.gz DWOFAKOOTJJDPN-GXTWGEPZSA-N 1 0 379.448 2.931 20 0 GFADRO C[C@@H]([NH2+][C@@H](C)c1ccccc1OC(F)F)C1CCN(S(C)(=O)=O)CC1 ZINC000924599336 664658804 /nfs/dbraw/zinc/65/88/04/664658804.db2.gz GFHLZFFBBSAKHS-OLZOCXBDSA-N 1 0 376.469 2.999 20 0 GFADRO C[C@H]([NH2+][C@@H](C)C1CCN(S(C)(=O)=O)CC1)c1ccc(OC(F)F)cc1 ZINC000924599343 664658831 /nfs/dbraw/zinc/65/88/31/664658831.db2.gz HQHALEHVSUASHE-STQMWFEESA-N 1 0 376.469 2.999 20 0 GFADRO COc1ccnc([C@H](C)[NH2+]CCNC(=O)c2ccc(Br)cc2)c1 ZINC000924734083 664660378 /nfs/dbraw/zinc/66/03/78/664660378.db2.gz YAUKCTVHKMWRFN-LBPRGKRZSA-N 1 0 378.270 2.933 20 0 GFADRO C[C@@H]([NH2+]Cc1ccc(Br)c(F)c1)C1CCN(S(C)(=O)=O)CC1 ZINC000924863785 664662939 /nfs/dbraw/zinc/66/29/39/664662939.db2.gz YZHCPNYQGHPSKR-LLVKDONJSA-N 1 0 393.322 2.738 20 0 GFADRO CC1(C)CNC(=O)[C@H]1[NH2+]CC1(c2ccc(Br)cc2)CCOCC1 ZINC000924901413 664663809 /nfs/dbraw/zinc/66/38/09/664663809.db2.gz IKTFRYRIDOXIBK-OAHLLOKOSA-N 1 0 381.314 2.612 20 0 GFADRO CN1CC[N@H+](C)C[C@@H]1CN[C@@H](c1ccc(Br)cc1)c1cccnc1 ZINC000925029966 664665463 /nfs/dbraw/zinc/66/54/63/664665463.db2.gz GNQIFXLHDYBXBX-OALUTQOASA-N 1 0 389.341 2.769 20 0 GFADRO CC[C@H](C[NH2+][C@@H]1C(=O)NCC12CCOCC2)Cc1cccc(Br)c1 ZINC000925095446 664666836 /nfs/dbraw/zinc/66/68/36/664666836.db2.gz KQEKPFDZLMJLRD-WMLDXEAASA-N 1 0 395.341 2.903 20 0 GFADRO C[C@@H]([NH2+]C1CCN(Cc2ccc(Br)cc2)CC1)c1cnn(C)n1 ZINC000925278693 664669569 /nfs/dbraw/zinc/66/95/69/664669569.db2.gz ZSVWFUOPFSRPCT-CYBMUJFWSA-N 1 0 378.318 2.893 20 0 GFADRO C[C@@H]1[C@H](NC(=O)N2CCCC[C@@H]2c2ncc(Br)cn2)CC[N@@H+]1C ZINC000925348631 664670699 /nfs/dbraw/zinc/67/06/99/664670699.db2.gz QDGFPIGHCZCYQZ-MRVWCRGKSA-N 1 0 382.306 2.568 20 0 GFADRO O=S1(=O)CCCN1CCC[NH2+][C@H](c1ccc(Cl)cc1)c1ccccn1 ZINC000925358705 664670908 /nfs/dbraw/zinc/67/09/08/664670908.db2.gz FZPIEPYQRBAGMQ-GOSISDBHSA-N 1 0 379.913 2.840 20 0 GFADRO C[N@@H+]1CC[C@@H]1CNC(=O)N(Cc1cccc(Br)c1)C1CCOCC1 ZINC000925421884 664672075 /nfs/dbraw/zinc/67/20/75/664672075.db2.gz SHRIFPJRWBOYDX-QGZVFWFLSA-N 1 0 396.329 2.844 20 0 GFADRO CCC1([NH3+])CCN([C@H](C)c2cc(S(N)(=O)=O)c(Cl)cc2Cl)CC1 ZINC000925760994 664674410 /nfs/dbraw/zinc/67/44/10/664674410.db2.gz WJGWDJZENDSVCJ-SNVBAGLBSA-N 1 0 380.341 2.905 20 0 GFADRO C[C@H]([NH2+]CC[C@H]1CNCCS1(=O)=O)c1ccc(-c2ccccc2F)s1 ZINC000925795635 664674825 /nfs/dbraw/zinc/67/48/25/664674825.db2.gz IYINXVTUKQUEKX-KBPBESRZSA-N 1 0 382.526 2.982 20 0 GFADRO C[C@@H]([NH2+]CC[C@@H]1CNCCS1(=O)=O)c1ccc(SCC(F)(F)F)cc1 ZINC000925791751 664674858 /nfs/dbraw/zinc/67/48/58/664674858.db2.gz GSTJCOIXQYPSEG-IUODEOHRSA-N 1 0 396.500 2.768 20 0 GFADRO C[C@H]([NH2+]CC[C@H]1CNCCS1(=O)=O)c1ccc(-c2ccc(F)cc2)s1 ZINC000925801260 664675037 /nfs/dbraw/zinc/67/50/37/664675037.db2.gz XKTIXTYRABFLQR-BBRMVZONSA-N 1 0 382.526 2.982 20 0 GFADRO O=C(NC[C@]12CCC[C@H]1[NH2+]CC2)Nc1ccccc1I ZINC000925895971 664676947 /nfs/dbraw/zinc/67/69/47/664676947.db2.gz FUCQNVOMZJBCSV-UKRRQHHQSA-N 1 0 385.249 2.945 20 0 GFADRO [NH3+][C@@]1(CO)CCCN(C(=O)Nc2cc(Cl)ccc2OCC(F)(F)F)C1 ZINC000925925903 664677579 /nfs/dbraw/zinc/67/75/79/664677579.db2.gz JKUDEBKEOKDOOS-AWEZNQCLSA-N 1 0 381.782 2.599 20 0 GFADRO [NH3+][C@@]1(CO)CCCN(C(=O)Nc2cc(Br)c(F)cc2Cl)C1 ZINC000926058008 664680292 /nfs/dbraw/zinc/68/02/92/664680292.db2.gz FSTGZSVWMYDNOY-ZDUSSCGKSA-N 1 0 380.645 2.559 20 0 GFADRO O=C(NCCCCCN1CC[NH2+]CC1)Nc1cc(F)ccc1Br ZINC000926060070 664680303 /nfs/dbraw/zinc/68/03/03/664680303.db2.gz CROCSHYVPCFHOW-UHFFFAOYSA-N 1 0 387.297 2.785 20 0 GFADRO Cc1ccc(Br)c(NC(=O)NCCCCCN2CC[NH2+]CC2)c1 ZINC000926080795 664681188 /nfs/dbraw/zinc/68/11/88/664681188.db2.gz KJWIGGRQLDQFIJ-UHFFFAOYSA-N 1 0 383.334 2.955 20 0 GFADRO COC(=O)c1cc(NC(=O)N2C[C@H]([NH3+])C(C)(C)C2)cc(Br)c1F ZINC000926104667 664681801 /nfs/dbraw/zinc/68/18/01/664681801.db2.gz MQPKQMIEUDSWQB-NSHDSACASA-N 1 0 388.237 2.576 20 0 GFADRO COc1ccc(NC(=O)NC[C@@H]2CC[C@H]([NH3+])C2)c(I)c1 ZINC000926108061 664681965 /nfs/dbraw/zinc/68/19/65/664681965.db2.gz XTQLQNBAJTYDHY-ZJUUUORDSA-N 1 0 389.237 2.549 20 0 GFADRO [NH3+][C@@H]1CN(C(=O)Nc2nc(C3CCOCC3)cs2)CC[C@H]1C(F)(F)F ZINC000926113892 664682078 /nfs/dbraw/zinc/68/20/78/664682078.db2.gz BWKCOAHBBGLYDK-GHMZBOCLSA-N 1 0 378.420 2.781 20 0 GFADRO [NH3+]CC[C@H]1CCN(C(=O)Nc2ccn(-c3ccc(Br)cc3)n2)C1 ZINC000926126296 664682341 /nfs/dbraw/zinc/68/23/41/664682341.db2.gz PPMIKNZIYMBSHH-LBPRGKRZSA-N 1 0 378.274 2.837 20 0 GFADRO CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)c1ccc(Cl)c(N)c1Cl)C2 ZINC000926152481 664683247 /nfs/dbraw/zinc/68/32/47/664683247.db2.gz BHJFRRQJKGSHID-FAELENHSSA-N 1 0 386.323 2.785 20 0 GFADRO CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NC(=O)c1snc(Cl)c1Cl)C2 ZINC000926156869 664683304 /nfs/dbraw/zinc/68/33/04/664683304.db2.gz SGQUXTXAPQGKJB-AOXLRIJTSA-N 1 0 378.325 2.659 20 0 GFADRO Cc1cccc(C(=O)N[C@@H]2C[C@@]3(C[N@@H+](C)[C@@H]3C(C)C)C[C@H]2O)c1Br ZINC000926164108 664683410 /nfs/dbraw/zinc/68/34/10/664683410.db2.gz KTTSYCKWOLEYTD-LFEHRJTNSA-N 1 0 395.341 2.967 20 0 GFADRO [NH3+]CC[C@H](NC(=O)N1CCC[C@@H]1c1cncc(Br)c1)C(F)(F)F ZINC000926170197 664683614 /nfs/dbraw/zinc/68/36/14/664683614.db2.gz OZIQSDNGAZYPIO-NEPJUHHUSA-N 1 0 395.223 2.970 20 0 GFADRO C[C@@H]1CN(C(=O)Nc2ccc(I)cc2F)CC[C@@H]1C[NH3+] ZINC000926174402 664683961 /nfs/dbraw/zinc/68/39/61/664683961.db2.gz RFIXRDYAYQDDGX-NXEZZACHSA-N 1 0 391.228 2.879 20 0 GFADRO C[C@@H]([NH2+]Cc1ccc(N2CCCS2(=O)=O)c(F)c1)C1(Br)CC1 ZINC000926210075 664684788 /nfs/dbraw/zinc/68/47/88/664684788.db2.gz JZHUKKRTDNWZIC-LLVKDONJSA-N 1 0 391.306 2.771 20 0 GFADRO Cc1c(C)c(NC(=O)N2C[C@@H](F)C[C@H]2C[NH3+])ccc1I ZINC000926205037 664684797 /nfs/dbraw/zinc/68/47/97/664684797.db2.gz ZZIBYDPRKLTEKB-QWRGUYRKSA-N 1 0 391.228 2.811 20 0 GFADRO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NC(=O)CC[C@@H]3CC3(Cl)Cl)C2)[C@H]1C(C)C ZINC000926243116 664685143 /nfs/dbraw/zinc/68/51/43/664685143.db2.gz JLEDWVYHDICHJL-ZJPZJRRFSA-N 1 0 377.356 2.946 20 0 GFADRO COc1ccc(C[C@H](CO)C[NH2+][C@H](C)c2nonc2C)cc1Br ZINC000926536714 664691750 /nfs/dbraw/zinc/69/17/50/664691750.db2.gz BCFTUBKCXIBDJZ-MFKMUULPSA-N 1 0 384.274 2.651 20 0 GFADRO Cc1ccc(C[C@H](CO)C[NH2+][C@H]2C[C@@H](C)n3ncnc32)cc1Br ZINC000926540070 664691790 /nfs/dbraw/zinc/69/17/90/664691790.db2.gz XHTLYULQMLKHMX-INWMFGNUSA-N 1 0 379.302 2.796 20 0 GFADRO CCON1CCC([NH2+]C[C@@H](CO)Cc2ccc(F)c(Br)c2)CC1 ZINC000926542640 664692025 /nfs/dbraw/zinc/69/20/25/664692025.db2.gz OOWDLPUZUMUIHO-AWEZNQCLSA-N 1 0 389.309 2.745 20 0 GFADRO CC(C)CC[NH+]1CCC(NCc2nn(C)cc2I)CC1 ZINC000926543395 664692165 /nfs/dbraw/zinc/69/21/65/664692165.db2.gz YHFOCZQSMOPVTF-UHFFFAOYSA-N 1 0 390.313 2.625 20 0 GFADRO C[C@@H]([NH2+]CC[C@@H]1CSc2ccccc2O1)C1CCN(S(C)(=O)=O)CC1 ZINC000926630778 664694154 /nfs/dbraw/zinc/69/41/54/664694154.db2.gz YNSROIOEYYHKQX-GDBMZVCRSA-N 1 0 384.567 2.580 20 0 GFADRO C[C@@H]([NH2+]C[C@@H]1CN(Cc2ccncc2)CCO1)c1cccc(Br)n1 ZINC000926771027 664696394 /nfs/dbraw/zinc/69/63/94/664696394.db2.gz JTXPDZSZCOYQGG-GDBMZVCRSA-N 1 0 391.313 2.791 20 0 GFADRO C[C@@H]([NH2+]Cc1ccccc1CC(F)(F)F)C1CCN(S(C)(=O)=O)CC1 ZINC000926776027 664696484 /nfs/dbraw/zinc/69/64/84/664696484.db2.gz FINRMEKPUHUBFX-CYBMUJFWSA-N 1 0 378.460 2.941 20 0 GFADRO C[C@H]([NH2+]Cc1ccc(OC(F)F)cc1F)C1CCN(S(C)(=O)=O)CC1 ZINC000926802388 664696740 /nfs/dbraw/zinc/69/67/40/664696740.db2.gz UUHDMUYGLVYBPZ-NSHDSACASA-N 1 0 380.432 2.577 20 0 GFADRO O=S1(=O)CC[C@H]([NH2+]C[C@@H]2CCCN2CC(F)(F)F)c2cc(F)ccc21 ZINC000926923628 664699091 /nfs/dbraw/zinc/69/90/91/664699091.db2.gz XHCBNEHPKQAGEM-JSGCOSHPSA-N 1 0 380.407 2.661 20 0 GFADRO CN1CC[C@H]([NH2+]C[C@H]2C[C@@H]3COC[C@@H]3O2)C[C@H]1c1ccc(Br)cc1 ZINC000926940883 664699394 /nfs/dbraw/zinc/69/93/94/664699394.db2.gz ASVYTAMWUUUJBC-XXQMMXQMSA-N 1 0 395.341 2.978 20 0 GFADRO CN(Cc1ncc(Br)cn1)C(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000926971466 664700004 /nfs/dbraw/zinc/70/00/04/664700004.db2.gz GILDAVRUYRJMLA-HNNXBMFYSA-N 1 0 389.297 2.720 20 0 GFADRO CN(Cc1ncc(Br)cn1)C(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000926975659 664700567 /nfs/dbraw/zinc/70/05/67/664700567.db2.gz DDMLRJGHCXFXBH-HNNXBMFYSA-N 1 0 377.286 2.891 20 0 GFADRO COCCC[C@H]([NH2+]C[C@H](O)c1ccnn1C)c1ccc(Br)cc1 ZINC000927128751 664704958 /nfs/dbraw/zinc/70/49/58/664704958.db2.gz FGKOTYGUSKSTAC-RDJZCZTQSA-N 1 0 382.302 2.974 20 0 GFADRO Cn1nccc1[C@H](O)C[NH2+][C@H](c1cccc(Br)c1)[C@@H]1CCOC1 ZINC000927126025 664704969 /nfs/dbraw/zinc/70/49/69/664704969.db2.gz JHSKZFPLOXELBQ-KBRIMQKVSA-N 1 0 380.286 2.583 20 0 GFADRO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@H]1C[C@H](O)C12CCOCC2 ZINC000927162443 664705414 /nfs/dbraw/zinc/70/54/14/664705414.db2.gz MGPMKJGCPLCXQO-KCXAZCMYSA-N 1 0 397.313 2.686 20 0 GFADRO CC1([NH+]2CCC2)CCC(NC(=O)N2CCn3ncc(Br)c3C2)CC1 ZINC000927296630 664707264 /nfs/dbraw/zinc/70/72/64/664707264.db2.gz BFHIPKCZFZFVIK-UHFFFAOYSA-N 1 0 396.333 2.578 20 0 GFADRO O=C(NC[C@@H]1CC[N@@H+]1C1CCOCC1)Nc1nnc(-c2ccsc2)s1 ZINC000927643432 664713442 /nfs/dbraw/zinc/71/34/42/664713442.db2.gz WGOFDSRVYVMPER-ZDUSSCGKSA-N 1 0 379.511 2.641 20 0 GFADRO C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)C(=O)Nc1ccccc1SC(F)(F)F ZINC000927828417 664716308 /nfs/dbraw/zinc/71/63/08/664716308.db2.gz NSIUAVUKOCSUGA-GHMZBOCLSA-N 1 0 375.416 2.599 20 0 GFADRO CSc1ccc(NC(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@H]([NH3+])C2)cc1Cl ZINC000927849011 664716812 /nfs/dbraw/zinc/71/68/12/664716812.db2.gz MNOTZAXXNMSSRA-MWLCHTKSSA-N 1 0 395.834 2.739 20 0 GFADRO Cc1cc(Br)cc(Cl)c1NC(=O)C(=O)N1CC[C@H](CC[NH3+])C1 ZINC000927884502 664717275 /nfs/dbraw/zinc/71/72/75/664717275.db2.gz XAHAGMDITFDDGR-JTQLQIEISA-N 1 0 388.693 2.547 20 0 GFADRO Cc1ccc(-c2nc(CC(=O)N[C@H]3CCC[N@@H+]4CCSC[C@@H]34)cs2)o1 ZINC000928097384 664723008 /nfs/dbraw/zinc/72/30/08/664723008.db2.gz ZYPDYIBONPODOB-GJZGRUSLSA-N 1 0 377.535 2.950 20 0 GFADRO O=C(C1CC[NH+](C2CC2)CC1)N1CCC[C@@H]1c1ncc(Br)cn1 ZINC000928355722 664729064 /nfs/dbraw/zinc/72/90/64/664729064.db2.gz BIYXDMSPIVFBPB-OAHLLOKOSA-N 1 0 379.302 2.777 20 0 GFADRO O=C(Nc1ccc(Br)cc1F)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000929173462 664747798 /nfs/dbraw/zinc/74/77/98/664747798.db2.gz QOZDDOQKYJQUJA-CABCVRRESA-N 1 0 386.265 2.651 20 0 GFADRO C(CN1CCC[N@H+](CCOC2CCSCC2)CC1)OC1CCSCC1 ZINC000929185245 664748016 /nfs/dbraw/zinc/74/80/16/664748016.db2.gz MCCBUTMPXOPIJY-UHFFFAOYSA-N 1 0 388.643 2.819 20 0 GFADRO Cc1ccc(NC(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)c(Br)c1 ZINC000929204844 664748257 /nfs/dbraw/zinc/74/82/57/664748257.db2.gz XUHHUNGTHKDNPJ-CVEARBPZSA-N 1 0 382.302 2.820 20 0 GFADRO CN1CCN(C(=O)Nc2ccc(OC(F)F)c(Cl)c2)CC[N@H+](C)CC1 ZINC000929234110 664748575 /nfs/dbraw/zinc/74/85/75/664748575.db2.gz NUJRAKPAWKQMMA-UHFFFAOYSA-N 1 0 376.835 2.653 20 0 GFADRO Cc1cc(C(=O)NC2CC[NH+](C)CC2)nn1-c1ccccc1Br ZINC000929435563 664752455 /nfs/dbraw/zinc/75/24/55/664752455.db2.gz GQZSJLVGUNRYPI-UHFFFAOYSA-N 1 0 377.286 2.767 20 0 GFADRO CCO[C@H](CNC(=O)Nc1c(C)cc(Br)cc1OC)C[NH+](C)C ZINC000929906467 664759542 /nfs/dbraw/zinc/75/95/42/664759542.db2.gz YUDPEDJMIAKXAN-CYBMUJFWSA-N 1 0 388.306 2.854 20 0 GFADRO CCN(C1CC[NH+](CCOc2ccc(F)c(Cl)c2)CC1)S(C)(=O)=O ZINC000929972350 664760632 /nfs/dbraw/zinc/76/06/32/664760632.db2.gz PSSHKRBDXQVIKK-UHFFFAOYSA-N 1 0 378.897 2.604 20 0 GFADRO COc1ccc(I)c(NC(=O)N[C@@H]2CC[N@H+](C)[C@H]2C)c1 ZINC000930043528 664761582 /nfs/dbraw/zinc/76/15/82/664761582.db2.gz RSCMSIVFVZIHGJ-JOYOIKCWSA-N 1 0 389.237 2.514 20 0 GFADRO C[N@H+]1C[C@H]2CN(C(=O)Nc3cc(Cl)ccc3N3CCSCC3)C[C@H]2C1 ZINC000930062579 664761964 /nfs/dbraw/zinc/76/19/64/664761964.db2.gz VWICRHYZFCMVHS-OKILXGFUSA-N 1 0 380.945 2.919 20 0 GFADRO Cc1cc(CN2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)cnc1Br ZINC000930135515 664763118 /nfs/dbraw/zinc/76/31/18/664763118.db2.gz GFYSFEQLAUPRQZ-NVXWUHKLSA-N 1 0 381.362 2.610 20 0 GFADRO CCOc1ccc(Br)cc1NC(=O)N1CCN(C)CC[N@H+](C)CC1 ZINC000930174091 664763938 /nfs/dbraw/zinc/76/39/38/664763938.db2.gz OOMGXPBPCKCOBM-UHFFFAOYSA-N 1 0 399.333 2.559 20 0 GFADRO Cc1cc([C@H]2CCC[N@@H+]2C[C@H](O)C2(O)CCOCC2)ccc1Br ZINC000930304815 664766652 /nfs/dbraw/zinc/76/66/52/664766652.db2.gz IWMNROKVFPARML-SJORKVTESA-N 1 0 384.314 2.797 20 0 GFADRO O[C@H](C[NH+]1CCC(c2cccc(Br)c2)CC1)C[C@@]1(O)CCOC1 ZINC000930314796 664766891 /nfs/dbraw/zinc/76/68/91/664766891.db2.gz HPZKJXPQDCRBPU-ROUUACIJSA-N 1 0 384.314 2.531 20 0 GFADRO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)Nc2cnn(-c3ccccc3Br)c2)C1 ZINC000930548869 664772770 /nfs/dbraw/zinc/77/27/70/664772770.db2.gz MWUAGDLGPKUHQY-LRDDRELGSA-N 1 0 390.285 2.803 20 0 GFADRO CC1(C)Cc2c(cccc2Br)[C@@H]1[NH2+]C[C@@H](O)C[C@@]1(O)CCOC1 ZINC000930553824 664773038 /nfs/dbraw/zinc/77/30/38/664773038.db2.gz YFKQBMDRPKPMPL-IWEFOYFVSA-N 1 0 384.314 2.565 20 0 GFADRO O=C(NCC[NH+]1CCC(O)CC1)N[C@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000930905197 664780771 /nfs/dbraw/zinc/78/07/71/664780771.db2.gz ARPAJRALHDUDKQ-CQSZACIVSA-N 1 0 379.810 2.699 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)C[N@@H+]1[C@H](C)CC[C@H](C(N)=O)[C@@H]1C ZINC000930914605 664780953 /nfs/dbraw/zinc/78/09/53/664780953.db2.gz ISLJTKBWHLBBER-DYEKYZERSA-N 1 0 382.302 2.670 20 0 GFADRO COc1cc(OC)c(NC(=O)N2CC[C@H]3C[N@H+](C)C[C@@H]32)cc1Br ZINC000930976640 664782253 /nfs/dbraw/zinc/78/22/53/664782253.db2.gz SHYLWEDYPZIRFN-GWCFXTLKSA-N 1 0 384.274 2.634 20 0 GFADRO CC[N@@H+]1CCC[C@H](CNC(=O)c2cc(Br)c3nccnc3c2)C1 ZINC000931127637 664786710 /nfs/dbraw/zinc/78/67/10/664786710.db2.gz UOEAPMMXFHCUBQ-GFCCVEGCSA-N 1 0 377.286 2.854 20 0 GFADRO Cc1cc(Br)ccc1[C@@H]1CCC[N@@H+]1C[C@H](O)C[C@]1(O)CCOC1 ZINC000931260817 664789642 /nfs/dbraw/zinc/78/96/42/664789642.db2.gz DCOBEGGHYYKQMV-BPQIPLTHSA-N 1 0 384.314 2.797 20 0 GFADRO CN(C(=O)Nc1ccc2nccnc2c1Br)[C@H]1CCC[N@H+](C)C1 ZINC000931390341 664793542 /nfs/dbraw/zinc/79/35/42/664793542.db2.gz TVFAEYZZIRWSGE-NSHDSACASA-N 1 0 378.274 2.950 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(Cc3nnc(-c4ccccc4Br)o3)C[C@@H]2C1 ZINC000931430970 664794728 /nfs/dbraw/zinc/79/47/28/664794728.db2.gz TYOWCRBPFUPNJI-OLZOCXBDSA-N 1 0 377.286 2.883 20 0 GFADRO OCCCCC[NH+]1CCN(C[C@@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000931499964 664796392 /nfs/dbraw/zinc/79/63/92/664796392.db2.gz IOQRPEXEZMTZOY-MRXNPFEDSA-N 1 0 391.339 2.513 20 0 GFADRO COc1cc(Br)ccc1CCC[NH2+][C@@H]1COCCC1(OC)OC ZINC000931673434 664802466 /nfs/dbraw/zinc/80/24/66/664802466.db2.gz PHBPTZVGBWESFO-MRXNPFEDSA-N 1 0 388.302 2.758 20 0 GFADRO C[C@H](CNC(=O)c1cnn(Cc2ccccc2)c1Br)[N@H+](C)C1CC1 ZINC000931778364 664804754 /nfs/dbraw/zinc/80/47/54/664804754.db2.gz ARTDMLHKCLFFGJ-CYBMUJFWSA-N 1 0 391.313 2.906 20 0 GFADRO C[C@@H](CNC(=O)c1cc(Br)cnc1Br)[N@H+](C)C1CC1 ZINC000931779323 664804887 /nfs/dbraw/zinc/80/48/87/664804887.db2.gz NEPYTEJFJIAQRO-QMMMGPOBSA-N 1 0 391.107 2.819 20 0 GFADRO CC(C)[N@@H+]1CCCN(C(=O)C[C@@H]2C(=O)Nc3c2cccc3Br)CC1 ZINC000931795192 664805114 /nfs/dbraw/zinc/80/51/14/664805114.db2.gz UBISYJTWZVHVLO-AWEZNQCLSA-N 1 0 394.313 2.818 20 0 GFADRO CC(C)[N@@H+]1CCCN(C(=O)c2cc(Br)c3nccnc3c2)CC1 ZINC000931793262 664805121 /nfs/dbraw/zinc/80/51/21/664805121.db2.gz AWLDSYHQGHPYKZ-UHFFFAOYSA-N 1 0 377.286 2.949 20 0 GFADRO Cc1[nH]nc(Br)c1C(=O)NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000931899064 664807057 /nfs/dbraw/zinc/80/70/57/664807057.db2.gz HYQDJPUDJNCEOY-UHFFFAOYSA-N 1 0 395.301 2.741 20 0 GFADRO C[NH+](C)C[C@@H]1CCCCN1C(=O)C[C@H]1C(=O)Nc2c1cccc2Br ZINC000931906294 664807126 /nfs/dbraw/zinc/80/71/26/664807126.db2.gz RYQXFYJFGZLVRR-GXTWGEPZSA-N 1 0 394.313 2.818 20 0 GFADRO CC[N@H+](CCCC(=O)Nc1c(C)cc(Br)cc1C)CCC(N)=O ZINC000932478517 664823063 /nfs/dbraw/zinc/82/30/63/664823063.db2.gz GQXYGWDZTIOQNU-UHFFFAOYSA-N 1 0 384.318 2.982 20 0 GFADRO CC(C)(C)OC(=O)NCC[C@H]1CC[N@H+](CCCS(=O)(=O)C(C)(C)C)C1 ZINC000932698389 664832221 /nfs/dbraw/zinc/83/22/21/664832221.db2.gz UDNRWKROSNEOSP-HNNXBMFYSA-N 1 0 376.563 2.827 20 0 GFADRO C[C@@H](CNC(=O)C/C=C\c1ccc(Br)cc1)N1CC[NH+](C)CC1 ZINC000932723768 664833464 /nfs/dbraw/zinc/83/34/64/664833464.db2.gz SXRRJDNODPCUIA-JZIMQPMSSA-N 1 0 380.330 2.605 20 0 GFADRO C[C@@H](CC[NH+](C)C)NC(=O)c1cc(Br)cnc1Br ZINC000932723419 664833527 /nfs/dbraw/zinc/83/35/27/664833527.db2.gz GHCHBQWHMDCPAQ-QMMMGPOBSA-N 1 0 379.096 2.677 20 0 GFADRO C[C@@H](CC[NH+](C)C)NC(=O)c1cnn(Cc2ccccc2)c1Br ZINC000932724845 664833597 /nfs/dbraw/zinc/83/35/97/664833597.db2.gz SNWUJYUUUSLDSG-ZDUSSCGKSA-N 1 0 379.302 2.764 20 0 GFADRO O=C(CC[NH+]1CCC([C@@H]2COC(=O)N2)CC1)Nc1ccc(Br)cc1 ZINC000932777389 664837466 /nfs/dbraw/zinc/83/74/66/664837466.db2.gz WYIIHVITVIGQDZ-HNNXBMFYSA-N 1 0 396.285 2.598 20 0 GFADRO O[C@]1(c2ccc(Br)cc2)CCC[N@H+](C[C@@H]2CCC3(COC3)O2)C1 ZINC000932813674 664839740 /nfs/dbraw/zinc/83/97/40/664839740.db2.gz CAIYYHURISXWSQ-FUHWJXTLSA-N 1 0 382.298 2.681 20 0 GFADRO O[C@H](C[N@@H+]1CCC[C@](O)(c2ccc(Br)cc2)C1)c1ccccn1 ZINC000932815143 664840034 /nfs/dbraw/zinc/84/00/34/664840034.db2.gz MOKXJJBCCQSZFY-QZTJIDSGSA-N 1 0 377.282 2.861 20 0 GFADRO NS(=O)(=O)C[C@@H]1CC[N@H+](Cc2cccc3c(Br)cccc23)C1 ZINC000932947831 664844447 /nfs/dbraw/zinc/84/44/47/664844447.db2.gz FALWDGIEUFRPGH-GFCCVEGCSA-N 1 0 383.311 2.713 20 0 GFADRO NS(=O)(=O)C[C@@H]1CC[N@H+](CCSc2ccnc3cc(Cl)ccc32)C1 ZINC000932950344 664844644 /nfs/dbraw/zinc/84/46/44/664844644.db2.gz AJSUKWJEVMVLDY-GFCCVEGCSA-N 1 0 385.942 2.591 20 0 GFADRO O[C@H](COc1ccc(Cl)c(Cl)c1)C[NH+]1CCC2(CC1)C[C@@H](O)CCO2 ZINC000933067997 664849207 /nfs/dbraw/zinc/84/92/07/664849207.db2.gz YKRZJROXPAOVFW-KBPBESRZSA-N 1 0 390.307 2.739 20 0 GFADRO O=C(NC[C@H]1CCCC[N@H+]1CCO)Nc1c(F)ccc(Br)c1F ZINC000933300897 664856906 /nfs/dbraw/zinc/85/69/06/664856906.db2.gz MNDIMVVRGBDNKM-SNVBAGLBSA-N 1 0 392.244 2.696 20 0 GFADRO O=C(Nc1c(F)ccc(Br)c1F)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000933300664 664856963 /nfs/dbraw/zinc/85/69/63/664856963.db2.gz JJBKMQWELNETBD-SNVBAGLBSA-N 1 0 392.244 2.696 20 0 GFADRO Cc1nnc(C[NH2+][C@@](C)(CO)Cc2ccc(Br)cc2)n1C1CC1 ZINC000933437089 664864058 /nfs/dbraw/zinc/86/40/58/664864058.db2.gz LPKPTTNIUQCQTN-QGZVFWFLSA-N 1 0 379.302 2.767 20 0 GFADRO COc1ccc(C[C@](C)(CO)[NH2+]Cc2ncccc2Br)cc1OC ZINC000933446951 664865000 /nfs/dbraw/zinc/86/50/00/664865000.db2.gz CFFAUWGBWIKIII-GOSISDBHSA-N 1 0 395.297 2.945 20 0 GFADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2cnnn2-c2cccc(Cl)c2Cl)C1 ZINC000933798442 664878365 /nfs/dbraw/zinc/87/83/65/664878365.db2.gz PHNXSVUPRXBGOA-LBPRGKRZSA-N 1 0 382.295 2.988 20 0 GFADRO O=C1CC[N@H+](Cc2nnc(-c3ccccc3Br)o2)CCCCCN1 ZINC000934162831 664891175 /nfs/dbraw/zinc/89/11/75/664891175.db2.gz IIECICAQECVTJH-UHFFFAOYSA-N 1 0 393.285 2.991 20 0 GFADRO Cc1c(Br)ccc(F)c1C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000934222372 664892807 /nfs/dbraw/zinc/89/28/07/664892807.db2.gz LBNDRTGVTPXXNF-ZDUSSCGKSA-N 1 0 385.277 2.691 20 0 GFADRO Cc1c(Br)cncc1NC(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000934266535 664895872 /nfs/dbraw/zinc/89/58/72/664895872.db2.gz DOYKRMKDTCFOLO-CQSZACIVSA-N 1 0 397.317 2.729 20 0 GFADRO OCC[N@@H+]1CCC[C@@H]2[C@H]1CCN2Cc1nc2cc(Br)ccc2o1 ZINC000934268409 664896393 /nfs/dbraw/zinc/89/63/93/664896393.db2.gz JESWLYBMGXXHRA-HUUCEWRRSA-N 1 0 380.286 2.621 20 0 GFADRO Cc1c(Br)cncc1NC(=O)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000934278186 664897436 /nfs/dbraw/zinc/89/74/36/664897436.db2.gz QMLMGHVWUMUCBI-CYBMUJFWSA-N 1 0 383.290 2.527 20 0 GFADRO O=C(Nc1c(Br)cnn1C1CC1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000934372726 664902946 /nfs/dbraw/zinc/90/29/46/664902946.db2.gz RVMSRSFQBUWLKN-LBPRGKRZSA-N 1 0 382.306 2.930 20 0 GFADRO O=C(C[NH2+][C@@H]1CCOC12CCOCC2)NCCc1cccc(Cl)c1Cl ZINC000934405571 664905928 /nfs/dbraw/zinc/90/59/28/664905928.db2.gz JSNOFKBFTSERLW-OAHLLOKOSA-N 1 0 387.307 2.580 20 0 GFADRO O[C@@H](C[NH2+][C@H]1CCOC12CCOCC2)COc1c(Cl)cccc1Cl ZINC000934409634 664906174 /nfs/dbraw/zinc/90/61/74/664906174.db2.gz JZYWCKMUDJLKTJ-WFASDCNBSA-N 1 0 376.280 2.661 20 0 GFADRO C[N@@H+]1CC[C@H](NC(=O)C2(n3cc(Br)cn3)CC2)[C@@H]1c1ccccc1 ZINC000935116719 664940860 /nfs/dbraw/zinc/94/08/60/664940860.db2.gz ANUGRRCMRQHQFI-HOTGVXAUSA-N 1 0 389.297 2.696 20 0 GFADRO C[NH+]1CCC(OCC(=O)NCCOCc2ccc(Cl)cc2Cl)CC1 ZINC000935257565 664949200 /nfs/dbraw/zinc/94/92/00/664949200.db2.gz PKWFXRIMUOXSNN-UHFFFAOYSA-N 1 0 375.296 2.737 20 0 GFADRO Cc1c(Br)cc(F)cc1C(=O)N[C@H](C)CC[NH+]1CCN(C)CC1 ZINC000935444807 664962085 /nfs/dbraw/zinc/96/20/85/664962085.db2.gz CNUCCIXWFDKOHY-GFCCVEGCSA-N 1 0 386.309 2.652 20 0 GFADRO COc1cc(OC)c(NC(=O)COC2CC[NH+](C)CC2)cc1Br ZINC000935479989 664964415 /nfs/dbraw/zinc/96/44/15/664964415.db2.gz DWOLTDZGVZNMFS-UHFFFAOYSA-N 1 0 387.274 2.516 20 0 GFADRO C[NH+](C)C1(CNC(=O)c2cnn(Cc3ccccc3)c2Br)CCC1 ZINC000935548781 664969659 /nfs/dbraw/zinc/96/96/59/664969659.db2.gz QEQSXOGBGGZTGS-UHFFFAOYSA-N 1 0 391.313 2.908 20 0 GFADRO C[NH+]1CCC(OCC(=O)N[C@@H]2CCN(c3ccc(Cl)cc3Cl)C2)CC1 ZINC000935605866 664972799 /nfs/dbraw/zinc/97/27/99/664972799.db2.gz GGQHPYRNAGREEQ-CQSZACIVSA-N 1 0 386.323 2.799 20 0 GFADRO COCC[NH+](CCOC)C1CCN(C(=O)c2ccsc2C(F)F)CC1 ZINC000935953288 665000854 /nfs/dbraw/zinc/00/08/54/665000854.db2.gz UTPWXNSDITWHAW-UHFFFAOYSA-N 1 0 376.469 2.885 20 0 GFADRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1ccc2c(Br)cnn2c1 ZINC000935975614 665002044 /nfs/dbraw/zinc/00/20/44/665002044.db2.gz IXVPQFRPDDRRDV-IUODEOHRSA-N 1 0 377.286 2.796 20 0 GFADRO C[NH+](C)CCCOc1cnccc1CNC(=O)c1cc(C=O)sc1Cl ZINC000936011304 665004111 /nfs/dbraw/zinc/00/41/11/665004111.db2.gz UMNGBAKOQFMEGW-UHFFFAOYSA-N 1 0 381.885 2.870 20 0 GFADRO CSC1(CNC(=O)c2ccc3c(Br)cnn3c2)CC[NH+](C)CC1 ZINC000936041520 665005408 /nfs/dbraw/zinc/00/54/08/665005408.db2.gz CNULVUNAUWMUIR-UHFFFAOYSA-N 1 0 397.342 2.654 20 0 GFADRO C[C@@H]1[C@H](C(=O)N[C@@H]2CC[C@H](CNC(=O)c3ccsc3Cl)C2)CC[N@@H+]1C ZINC000981337895 665018228 /nfs/dbraw/zinc/01/82/28/665018228.db2.gz UOVYKWJNRFHPJB-XJFOESAGSA-N 1 0 383.945 2.756 20 0 GFADRO C[NH+](C)[C@@H](C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(Cl)cs1)C2)C1CC1 ZINC000996388922 665031220 /nfs/dbraw/zinc/03/12/20/665031220.db2.gz VPCOBIVKFMQLOG-ORIJERBGSA-N 1 0 381.929 2.603 20 0 GFADRO C[C@@H]1CC[N@H+](CC(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ccsc2Cl)C3)C1 ZINC001002618880 665056212 /nfs/dbraw/zinc/05/62/12/665056212.db2.gz GWZUKMWIOAMNNJ-GBOPCIDUSA-N 1 0 381.929 2.605 20 0 GFADRO Cc1csc(Cl)c1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H]1CCC[N@H+]1C ZINC001004819121 665065333 /nfs/dbraw/zinc/06/53/33/665065333.db2.gz NALPWLRDLBWQLB-YIYPIFLZSA-N 1 0 381.929 2.666 20 0 GFADRO C[C@@H](O)[C@H]1CCC[N@H+](CC(=O)N(C)Cc2cc(Br)cs2)C1 ZINC000120726992 677397784 /nfs/dbraw/zinc/39/77/84/677397784.db2.gz QUPOZPYCGLTNRE-NEPJUHHUSA-N 1 0 375.332 2.562 20 0 GFADRO C[NH+](C)C1(CNc2cnn(CC(F)(F)F)c(=O)c2Br)CCCC1 ZINC000391449251 677409291 /nfs/dbraw/zinc/40/92/91/677409291.db2.gz KBHXKSQKYYHMTN-UHFFFAOYSA-N 1 0 397.239 2.854 20 0 GFADRO COC(=O)[C@]12C[N@H+](Cc3cc(Br)c(OC)s3)C[C@H]1COCC2 ZINC000475571227 677673100 /nfs/dbraw/zinc/67/31/00/677673100.db2.gz VFNJKMLVOJIZSN-ZUZCIYMTSA-N 1 0 390.299 2.531 20 0 GFADRO CC(C)(C[NH2+]CC1(O)CCCC1)S(=O)(=O)c1ccc(Br)cc1 ZINC000579583557 677673485 /nfs/dbraw/zinc/67/34/85/677673485.db2.gz YVUCQAHAAYLFNY-UHFFFAOYSA-N 1 0 390.343 2.896 20 0 GFADRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)c1nc(C2CC2)ncc1Br ZINC000579787323 677673567 /nfs/dbraw/zinc/67/35/67/677673567.db2.gz QRKROBLQCLCOLE-ZDUSSCGKSA-N 1 0 381.318 2.967 20 0 GFADRO FC(F)(Oc1ccc2c(Cl)ncnc2c1)N1CCO[C@H]2C[NH2+]CC[C@H]2C1 ZINC001164410422 718863537 /nfs/dbraw/zinc/86/35/37/718863537.db2.gz ZZTGIVRUQXFFEE-NHYWBVRUSA-N 1 0 384.814 2.523 20 0 GFADRO FC(F)(c1cc(Cl)nc(-c2ccncc2)n1)N1CCO[C@@H]2C[NH2+]CC[C@@H]2C1 ZINC001164407789 718863769 /nfs/dbraw/zinc/86/37/69/718863769.db2.gz JXNNTSXSXYTZEW-ZIAGYGMSSA-N 1 0 395.841 2.552 20 0 GFADRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@@H]2N1C(F)(F)c1nc(Cl)c2ccccc2n1 ZINC001164615223 719013261 /nfs/dbraw/zinc/01/32/61/719013261.db2.gz HPJHKQFLLQFCLD-BPNCWPANSA-N 1 0 396.825 2.558 20 0 GFADRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@@H]2N1C(F)(F)c1cnc(Cl)c(C2CC2)c1 ZINC001164614980 719020040 /nfs/dbraw/zinc/02/00/40/719020040.db2.gz HAFVQYIHCORKEK-CQDKDKBSSA-N 1 0 385.842 2.887 20 0 GFADRO [NH3+]C1([C@@H]2CN(C(F)(F)c3nc(Cl)cc(N4CCCC4)n3)C[C@H]2CF)CC1 ZINC001164630404 719116938 /nfs/dbraw/zinc/11/69/38/719116938.db2.gz VZWCSVYVNQVTPS-VXGBXAGGSA-N 1 0 389.853 2.788 20 0 GFADRO O=C(CC1CC1)N[C@@H]1CN(c2ncccc2C[NH+]2CCCC2)C[C@@H]2CCCO[C@@H]12 ZINC001164654606 719326517 /nfs/dbraw/zinc/32/65/17/719326517.db2.gz MAIQIFDDGHMCJL-CZTZKLFOSA-N 1 0 398.551 2.578 20 0 GFADRO CC(C)C[NH+]1CCN(c2nc(Cl)nc3c2ncn3[C@H]2CCCCO2)CC1 ZINC001164653492 719333068 /nfs/dbraw/zinc/33/30/68/719333068.db2.gz GCPCKPVXDYASDM-CQSZACIVSA-N 1 0 378.908 2.957 20 0 GFADRO Cc1sc2nc(-c3cccnc3)nc(N3C[C@@H]4OCC[N@@H+](C)[C@H]4C3)c2c1C ZINC001164669246 719440824 /nfs/dbraw/zinc/44/08/24/719440824.db2.gz LKGWGFJHOUBZKS-HOTGVXAUSA-N 1 0 381.505 2.889 20 0 GFADRO CCCN(CCC)c1cc(-n2nc(CN(C)C(C)C)c3c2C[NH2+]CC3)ncn1 ZINC001164681216 719631500 /nfs/dbraw/zinc/63/15/00/719631500.db2.gz DJBBBZQOPKPKNC-UHFFFAOYSA-N 1 0 385.560 2.775 20 0 GFADRO CNC(=O)C[N@@H+]1CCCC12CCN(C(F)(F)c1cnc(Cl)cc1C)CC2 ZINC001164685661 719721806 /nfs/dbraw/zinc/72/18/06/719721806.db2.gz MUXFORGHOUTWOS-UHFFFAOYSA-N 1 0 386.874 2.769 20 0 GFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ncc(Cl)cc1C(=O)OC)C2 ZINC001164814204 720075702 /nfs/dbraw/zinc/07/57/02/720075702.db2.gz VXDDYIJFJXEHGO-YWZLYKJASA-N 1 0 393.915 2.706 20 0 GFADRO CCc1nccnc1N1CCC2(C[C@H](COC)[N@H+](Cc3ccccn3)C2)CC1 ZINC001164714866 720115582 /nfs/dbraw/zinc/11/55/82/720115582.db2.gz CUYJLSQESOGMPU-LJQANCHMSA-N 1 0 381.524 2.942 20 0 GFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(C)c(F)cc1C(=O)OC)C2 ZINC001164815493 720116412 /nfs/dbraw/zinc/11/64/12/720116412.db2.gz VZMZDXAROCMPDD-HRAATJIYSA-N 1 0 391.487 2.500 20 0 GFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(Cl)nc3ncsc31)C2 ZINC001164816203 720119095 /nfs/dbraw/zinc/11/90/95/720119095.db2.gz YJRXNGATTULYMS-SCLBCKFNSA-N 1 0 393.944 2.924 20 0 GFADRO CCc1nccc(N2CCC3(C[C@H](COC)[N@H+](Cc4ccccn4)C3)CC2)n1 ZINC001164716995 720126434 /nfs/dbraw/zinc/12/64/34/720126434.db2.gz NBLSPSDWWWJQRH-LJQANCHMSA-N 1 0 381.524 2.942 20 0 GFADRO CCc1nccc(N2CCC3(C[C@@H](COC)[N@H+](Cc4ccccn4)C3)CC2)n1 ZINC001164716994 720127059 /nfs/dbraw/zinc/12/70/59/720127059.db2.gz NBLSPSDWWWJQRH-IBGZPJMESA-N 1 0 381.524 2.942 20 0 GFADRO CCOC(=O)c1c(C)ccnc1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@H]2COC ZINC001164811721 720148053 /nfs/dbraw/zinc/14/80/53/720148053.db2.gz NBDPABHMAWJVQI-AVRDEDQJSA-N 1 0 387.524 2.751 20 0 GFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ncnc3cccc(OC)c31)C2 ZINC001164813595 720173017 /nfs/dbraw/zinc/17/30/17/720173017.db2.gz CMKCJFXXSFIBIC-VGSWGCGISA-N 1 0 382.508 2.823 20 0 GFADRO Cc1ccc(Cl)c(N2CCCn3c(=O)cc(C[N@@H+](C)C(C)C)nc3C2)n1 ZINC001164813231 720215849 /nfs/dbraw/zinc/21/58/49/720215849.db2.gz NROVTLFEFSJHNC-UHFFFAOYSA-N 1 0 375.904 2.851 20 0 GFADRO Cc1cc2c(ncnc2N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)s1 ZINC001164819094 720287135 /nfs/dbraw/zinc/28/71/35/720287135.db2.gz PKRYARAIOIBWKP-ZWKOTPCHSA-N 1 0 399.564 2.911 20 0 GFADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2ncc(Cl)cc2F)CC1 ZINC001164820147 720295167 /nfs/dbraw/zinc/29/51/67/720295167.db2.gz GUXYYAPPBVDQOS-IRXDYDNUSA-N 1 0 380.895 2.786 20 0 GFADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2nc(Cl)ccc2F)CC1 ZINC001164826529 720303456 /nfs/dbraw/zinc/30/34/56/720303456.db2.gz VLWYKGCSMTVOSJ-JKSUJKDBSA-N 1 0 380.895 2.786 20 0 GFADRO Cc1cc(N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)ncc1Cl ZINC001164822074 720306336 /nfs/dbraw/zinc/30/63/36/720306336.db2.gz MMKZPFFHQLHHIN-ROUUACIJSA-N 1 0 376.932 2.955 20 0 GFADRO CCCc1cc(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc(C)n1 ZINC001164833023 720328068 /nfs/dbraw/zinc/32/80/68/720328068.db2.gz VVSYZGPZYWHEBS-VQTJNVASSA-N 1 0 385.556 2.649 20 0 GFADRO Cc1nnc(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c2ccccc12 ZINC001164821717 720337009 /nfs/dbraw/zinc/33/70/09/720337009.db2.gz BOERERHGTQRADH-LEWJYISDSA-N 1 0 393.535 2.850 20 0 GFADRO COC(=O)c1ccc2c(c1)ncnc2N1CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164723507 720346173 /nfs/dbraw/zinc/34/61/73/720346173.db2.gz HPXSBXQBDGKWLS-WOJBJXKFSA-N 1 0 389.459 2.665 20 0 GFADRO CCCCc1cc(N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)ncn1 ZINC001164830512 720348927 /nfs/dbraw/zinc/34/89/27/720348927.db2.gz VUCSHHFSAHUAQT-UXHICEINSA-N 1 0 385.556 2.731 20 0 GFADRO CCc1cc(Cl)nc(N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164822772 720350993 /nfs/dbraw/zinc/35/09/93/720350993.db2.gz FFSCYYOHZZOOCC-IRXDYDNUSA-N 1 0 391.947 2.604 20 0 GFADRO COc1cc2ncnc(N3CC[C@@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)c2c(OC)c1 ZINC001164729675 720394951 /nfs/dbraw/zinc/39/49/51/720394951.db2.gz VKONNMHDNHYTCV-RTBURBONSA-N 1 0 391.475 2.895 20 0 GFADRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(c2ncccc2C(=O)NC2CCCCC2)C1 ZINC001164732724 720507064 /nfs/dbraw/zinc/50/70/64/720507064.db2.gz VYDXQPDXABRESP-QGZVFWFLSA-N 1 0 396.539 2.539 20 0 GFADRO CCOC(=O)c1c(C)nc(Cl)cc1N1Cc2nccn2C[C@H](C[NH+](C)C)C1 ZINC001164733235 720511518 /nfs/dbraw/zinc/51/15/18/720511518.db2.gz YQRJHQHVKXVGSY-AWEZNQCLSA-N 1 0 391.903 2.615 20 0 GFADRO COCc1cc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)nc(C)n1 ZINC001164843010 720533544 /nfs/dbraw/zinc/53/35/44/720533544.db2.gz ZMFBRKGOCPNLDN-YZGWKJHDSA-N 1 0 384.528 2.506 20 0 GFADRO CC(C)(C)OC(=O)c1ccnc(N2CCc3ncc(C[NH+]4CCCC4)n3CC2)c1 ZINC001164733089 720554551 /nfs/dbraw/zinc/55/45/51/720554551.db2.gz JJJXPHQYFFSKBI-UHFFFAOYSA-N 1 0 397.523 2.892 20 0 GFADRO CCOC(=O)/C=C/c1ccc(N2CCc3ncc(C[NH+]4CCCC4)n3CC2)nc1 ZINC001164728013 720571393 /nfs/dbraw/zinc/57/13/93/720571393.db2.gz HIGARPOVANEYCT-SOFGYWHQSA-N 1 0 395.507 2.513 20 0 GFADRO COc1cc(OC)nc(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC001164837097 720671961 /nfs/dbraw/zinc/67/19/61/720671961.db2.gz BRTHCWOXYRWXDN-GOSISDBHSA-N 1 0 398.507 2.754 20 0 GFADRO Cc1nc(N(C)C)nc(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC001164845254 720697582 /nfs/dbraw/zinc/69/75/82/720697582.db2.gz XMPMCJLOTVFXDO-IBGZPJMESA-N 1 0 396.539 2.506 20 0 GFADRO Cc1c(Cl)cnc(Cl)c1N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001164742189 720745558 /nfs/dbraw/zinc/74/55/58/720745558.db2.gz NPUNOPSQBSZLFR-QWHCGFSZSA-N 1 0 380.279 2.829 20 0 GFADRO Cc1nc(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)c(Cl)cc1Cl ZINC001164737776 720745700 /nfs/dbraw/zinc/74/57/00/720745700.db2.gz CRMFAXHUDZBEAK-CHWSQXEVSA-N 1 0 380.279 2.829 20 0 GFADRO Cc1ccc(-c2ccc(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)nn2)cc1 ZINC001164739925 720755934 /nfs/dbraw/zinc/75/59/34/720755934.db2.gz JTWCXRLQDKBPRU-RTBURBONSA-N 1 0 388.475 2.584 20 0 GFADRO CC(C)c1ccc2ncnc(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)c2c1 ZINC001164738972 720766186 /nfs/dbraw/zinc/76/61/86/720766186.db2.gz HEEBFTSFQOEMLB-QZTJIDSGSA-N 1 0 390.491 2.885 20 0 GFADRO c1ncn(C[C@H]2C[C@H]3CN(c4cc(C5CC5)ccn4)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164740028 720833649 /nfs/dbraw/zinc/83/36/49/720833649.db2.gz BOYGIKYPRYLGFE-PWRODBHTSA-N 1 0 378.524 2.930 20 0 GFADRO COCC[N@@H+]1CCO[C@H]2CN(c3nc(Cl)nc4c3CCCCC4)CC[C@@H]2C1 ZINC001164858366 720852346 /nfs/dbraw/zinc/85/23/46/720852346.db2.gz ZQOKEZGQXSMHNP-QAPCUYQASA-N 1 0 394.947 2.572 20 0 GFADRO COCC[N@@H+]1CCO[C@H]2CN(c3nc(C)nc4sc(C)c(C)c43)CC[C@H]2C1 ZINC001164852735 720853679 /nfs/dbraw/zinc/85/36/79/720853679.db2.gz FOWNHNVWANSSKZ-IRXDYDNUSA-N 1 0 390.553 2.790 20 0 GFADRO CCCCc1cc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)ncn1 ZINC001164748193 720854913 /nfs/dbraw/zinc/85/49/13/720854913.db2.gz LCXRQUJTGRBGDP-HMXCVIKNSA-N 1 0 395.555 2.790 20 0 GFADRO c1cncc(COC[C@H]2C[N@H+](CC3CC3)C[C@]23CCN(c2ccncn2)C3)c1 ZINC001164754400 720867422 /nfs/dbraw/zinc/86/74/22/720867422.db2.gz RQEBXKRZGFXOJR-IRLDBZIGSA-N 1 0 379.508 2.627 20 0 GFADRO COCC[N@@H+]1CCO[C@@H]2CN(c3ncccc3OCc3ccccc3)CC[C@@H]2C1 ZINC001164860045 720873731 /nfs/dbraw/zinc/87/37/31/720873731.db2.gz NZZUMWVUCPPKEJ-IFMALSPDSA-N 1 0 397.519 2.834 20 0 GFADRO CCc1nc(Cl)nc(Cl)c1N1CC[C@@H]2C[N@H+](CCOC)CCO[C@H]2C1 ZINC001164853300 720889046 /nfs/dbraw/zinc/88/90/46/720889046.db2.gz BQIBPNSHEVYDBK-OCCSQVGLSA-N 1 0 389.327 2.519 20 0 GFADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1cc(C(=O)N3CCCC3)ccn1)[C@@H]2C ZINC001164858036 720982102 /nfs/dbraw/zinc/98/21/02/720982102.db2.gz GNJOHONNUBQQRE-QGZVFWFLSA-N 1 0 396.539 2.936 20 0 GFADRO CSc1nc(Cl)cc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164871974 721046387 /nfs/dbraw/zinc/04/63/87/721046387.db2.gz ZYUAUIUVRMSDLH-LSDHHAIUSA-N 1 0 391.928 2.727 20 0 GFADRO Clc1nc2c(c(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)n1)CCCC2 ZINC001164871451 721062215 /nfs/dbraw/zinc/06/22/15/721062215.db2.gz YXBLTQYGMHVDIP-IRXDYDNUSA-N 1 0 399.926 2.884 20 0 GFADRO COc1ccc2ncc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)nc2c1 ZINC001164866933 721090076 /nfs/dbraw/zinc/09/00/76/721090076.db2.gz VGSUJDDCLJJCHZ-PKOBYXMFSA-N 1 0 391.475 2.513 20 0 GFADRO COc1ccc2nc(N3C[C@@H]4C[N@@H+](Cc5cnn(C)c5)CC[C@@H]4C3)ccc2c1 ZINC001164766497 721107075 /nfs/dbraw/zinc/10/70/75/721107075.db2.gz LTBJBYJFOLRYFI-MOPGFXCFSA-N 1 0 377.492 2.935 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4ccc(-c5cccs5)nn4)C[C@@H]3C2)cn1 ZINC001164772308 721159842 /nfs/dbraw/zinc/15/98/42/721159842.db2.gz VNFHMSBJXWATJL-IRXDYDNUSA-N 1 0 380.521 2.897 20 0 GFADRO COc1cc(N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@H]3C2)nc2ccccc21 ZINC001164764217 721171223 /nfs/dbraw/zinc/17/12/23/721171223.db2.gz GOURVROWXGVCNF-ROUUACIJSA-N 1 0 377.492 2.935 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4ncnc5sc6c(c54)CCC6)C[C@H]3C2)cn1 ZINC001164771452 721195373 /nfs/dbraw/zinc/19/53/73/721195373.db2.gz QAEJOHRKEDGFPW-HZPDHXFCSA-N 1 0 394.548 2.872 20 0 GFADRO Cc1cc(C(F)(F)N2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@H]3C2)c(Cl)nn1 ZINC001164769166 721206039 /nfs/dbraw/zinc/20/60/39/721206039.db2.gz LVCNKFHXRANJQJ-GJZGRUSLSA-N 1 0 396.873 2.675 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4ccc(-c5cccc(F)c5)nn4)C[C@@H]3C2)cn1 ZINC001164761199 721216128 /nfs/dbraw/zinc/21/61/28/721216128.db2.gz ADYLYNFPOFZKAW-MOPGFXCFSA-N 1 0 392.482 2.975 20 0 GFADRO CSc1cccnc1N1CC[C@@]2(C1)CCC[C@@H](C[NH+]1CCN(C)CC1)O2 ZINC001164892952 721417967 /nfs/dbraw/zinc/41/79/67/721417967.db2.gz ZKDURNCQUVFWFX-FXAWDEMLSA-N 1 0 376.570 2.569 20 0 GFADRO CCCc1cc(N2CC[C@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)nc(C)n1 ZINC001164883636 721422709 /nfs/dbraw/zinc/42/27/09/721422709.db2.gz BKRXVLQONWTTNK-UNMCSNQZSA-N 1 0 387.572 2.503 20 0 GFADRO Cc1cc(N2CC[C@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)nc2[nH]ccc21 ZINC001164891917 721423742 /nfs/dbraw/zinc/42/37/42/721423742.db2.gz WQFAFMWANZHBFQ-GCJKJVERSA-N 1 0 383.540 2.637 20 0 GFADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cncc(Cl)n1)CC2 ZINC001164789490 721450863 /nfs/dbraw/zinc/45/08/63/721450863.db2.gz WSJUXPWIJNQLLV-QGZVFWFLSA-N 1 0 394.947 2.864 20 0 GFADRO CCOC(=O)c1nccc(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)n1 ZINC001164795722 721501799 /nfs/dbraw/zinc/50/17/99/721501799.db2.gz KQKNGSXFYQJQFO-UHFFFAOYSA-N 1 0 395.507 2.929 20 0 GFADRO Cc1nc(N2CCn3cc(CN4CC[NH+](C)CC4)nc3C2)c(Cl)cc1Cl ZINC001164799188 721517449 /nfs/dbraw/zinc/51/74/49/721517449.db2.gz YBKSFDHGTOKBKD-UHFFFAOYSA-N 1 0 395.338 2.661 20 0 GFADRO COc1cnnc(Cl)c1N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164907120 721532458 /nfs/dbraw/zinc/53/24/58/721532458.db2.gz MATONMKOHWALDO-ZFWWWQNUSA-N 1 0 378.835 2.620 20 0 GFADRO CCN(CC)c1cc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)ncn1 ZINC001164910978 721545327 /nfs/dbraw/zinc/54/53/27/721545327.db2.gz UVGYUGWNJRKVMA-PKOBYXMFSA-N 1 0 385.487 2.804 20 0 GFADRO Fc1cccc(O[C@@H]2C[C@@H]3CN(c4cc(-c5ncc[nH]5)ccn4)CC[N@@H+]3C2)c1 ZINC001164908125 721546066 /nfs/dbraw/zinc/54/60/66/721546066.db2.gz PBVNHSCULRBTGO-IEBWSBKVSA-N 1 0 379.439 2.953 20 0 GFADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cnc3c(n2)CCCC3)[C@H]2CCCO[C@@H]12 ZINC001164811418 721587611 /nfs/dbraw/zinc/58/76/11/721587611.db2.gz XNBPZFOCLMRXKR-TUNNFDKTSA-N 1 0 379.508 2.619 20 0 GFADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2ccnc(-c3ccccc3)n2)CC1 ZINC001165008432 721732289 /nfs/dbraw/zinc/73/22/89/721732289.db2.gz OBBGCMYPAJLCME-UHFFFAOYSA-N 1 0 379.508 2.667 20 0 GFADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2nc(Cl)cc(C(C)(C)C)n2)CC1 ZINC001165010417 721742994 /nfs/dbraw/zinc/74/29/94/721742994.db2.gz MIEOJROGEGXXHX-UHFFFAOYSA-N 1 0 393.963 2.951 20 0 GFADRO CC[C@H](C)c1nc2[nH]ccc2c(N2CCCC23CC[NH+](CC(=O)N(C)C)CC3)n1 ZINC001165012953 721750416 /nfs/dbraw/zinc/75/04/16/721750416.db2.gz RSIRDWABBNYCJX-INIZCTEOSA-N 1 0 398.555 2.994 20 0 GFADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc(Cl)ncc3C(N)=O)C[C@@H]21 ZINC001165018672 721802462 /nfs/dbraw/zinc/80/24/62/721802462.db2.gz BVSBODJPDFWORQ-FHLIZLRMSA-N 1 0 399.926 2.966 20 0 GFADRO CCn1cnc2c1ncnc2N1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165029703 721824225 /nfs/dbraw/zinc/82/42/25/721824225.db2.gz XMXKZOFBCDIENY-UHOSZYNNSA-N 1 0 391.523 2.978 20 0 GFADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3c(Cl)nccc3C(N)=O)C[C@@H]21 ZINC001165020761 721829773 /nfs/dbraw/zinc/82/97/73/721829773.db2.gz DRCHZGPQTRWNRU-FHLIZLRMSA-N 1 0 399.926 2.966 20 0 GFADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2ccc(N(C)C)nn2)CC1 ZINC001165022177 721838225 /nfs/dbraw/zinc/83/82/25/721838225.db2.gz QBLXLFRTGDZRFD-UHFFFAOYSA-N 1 0 385.512 2.661 20 0 GFADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2ncc3[nH]c(C)nc3n2)CC1 ZINC001165023096 721842598 /nfs/dbraw/zinc/84/25/98/721842598.db2.gz XDITXXINWGPTGX-UHFFFAOYSA-N 1 0 396.495 2.731 20 0 GFADRO CSc1nc(Cl)cc(C(F)(F)N2CC[C@H]3[C@@H]2CCN3CC[NH+](C)C)n1 ZINC001164932763 721850865 /nfs/dbraw/zinc/85/08/65/721850865.db2.gz ZZXNDBIVLVBDNQ-RYUDHWBXSA-N 1 0 391.919 2.611 20 0 GFADRO CCOC(=O)c1cnc(C(F)(F)N2CC[NH+](C3CCCC3)CC2)nc1Cl ZINC001165029876 721852754 /nfs/dbraw/zinc/85/27/54/721852754.db2.gz OQFVUSDPBZRVQZ-UHFFFAOYSA-N 1 0 388.846 2.916 20 0 GFADRO C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2c1nc2cc(F)c(F)cc2nc1Cl ZINC001164925182 721859617 /nfs/dbraw/zinc/85/96/17/721859617.db2.gz DLHIHKMBFVUQSV-CVEARBPZSA-N 1 0 381.858 2.776 20 0 GFADRO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2c1cc(Cl)ncc1C(=O)OC(C)(C)C ZINC001164927037 721869492 /nfs/dbraw/zinc/86/94/92/721869492.db2.gz UHXPINBPCBJBFX-JKSUJKDBSA-N 1 0 394.947 2.905 20 0 GFADRO C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2c1ccc(NC(=O)OC(C)(C)C)cn1 ZINC001164923133 721876755 /nfs/dbraw/zinc/87/67/55/721876755.db2.gz IMGWOBDDMYJYMA-IRXDYDNUSA-N 1 0 375.517 2.643 20 0 GFADRO C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2c1nc2ccccc2nc1N1CCCCC1 ZINC001164923122 721877025 /nfs/dbraw/zinc/87/70/25/721877025.db2.gz IGIISDBCKVCDMQ-SFTDATJTSA-N 1 0 394.567 2.835 20 0 GFADRO COc1ccc(Cn2cc3[nH]c(N4CCC[C@@H]([NH+](C)C)C4)ccc-3c2=O)cc1 ZINC001165037203 721895177 /nfs/dbraw/zinc/89/51/77/721895177.db2.gz WOUTVGLXTTWJAC-QGZVFWFLSA-N 1 0 380.492 2.777 20 0 GFADRO COc1cc2nc(Cl)nc(N3CC[NH+](C[C@H]4CCCO4)CC3)c2cc1OC ZINC001165039306 721906726 /nfs/dbraw/zinc/90/67/26/721906726.db2.gz RDPQBCFUQYDVSD-CYBMUJFWSA-N 1 0 392.887 2.601 20 0 GFADRO CCOc1cc2ncnc(N3CC[NH+](C[C@@H]4CCCO4)CC3)c2cc1OCC ZINC001165037406 721909950 /nfs/dbraw/zinc/90/99/50/721909950.db2.gz GKVSDHKKVMHQAI-INIZCTEOSA-N 1 0 386.496 2.728 20 0 GFADRO CN(C)C(=O)N[C@@H]1CCO[C@]2(CC[N@@H+](C(C)(C)c3ccnc(Cl)c3)C2)C1 ZINC001164952713 722011240 /nfs/dbraw/zinc/01/12/40/722011240.db2.gz AGCMGVWIDRXQNP-DNVCBOLYSA-N 1 0 380.920 2.865 20 0 GFADRO COC(=O)c1cc2ccccc2nc1N1CC[NH+](CCc2ccccn2)CC1 ZINC001165055357 722014913 /nfs/dbraw/zinc/01/49/13/722014913.db2.gz GGUVDNBKKWYWOK-UHFFFAOYSA-N 1 0 376.460 2.781 20 0 GFADRO O=C(c1ccco1)N1CC[C@H]2CN(c3cccc(OCC[NH+]4CCCC4)n3)C[C@H]21 ZINC001164961405 722047930 /nfs/dbraw/zinc/04/79/30/722047930.db2.gz ZLFKCBCEACDFIC-ZWKOTPCHSA-N 1 0 396.491 2.500 20 0 GFADRO c1cnc2ncnc(N3CCC4(CC3)COCC[N@@H+](Cc3ccncc3)C4)c2c1 ZINC001164960510 722053750 /nfs/dbraw/zinc/05/37/50/722053750.db2.gz QNDCJUJOUUICEH-UHFFFAOYSA-N 1 0 390.491 2.539 20 0 GFADRO Cc1nc2c(c(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)n1)CCC2 ZINC001164963375 722058659 /nfs/dbraw/zinc/05/86/59/722058659.db2.gz XQTNHKCFGSEZDQ-UHFFFAOYSA-N 1 0 393.535 2.788 20 0 GFADRO c1cnc(N2C[C@@H]3C[N@H+](CC4CC4)C[C@H](C2)O3)c(C2SCCCS2)n1 ZINC001164967605 722070171 /nfs/dbraw/zinc/07/01/71/722070171.db2.gz RWGKVVBYJWXESC-GASCZTMLSA-N 1 0 378.567 2.645 20 0 GFADRO CCOC(=O)c1c(C)nc(Cl)cc1N1C[C@@H]2C[N@@H+](CC3CC3)C[C@H](C1)O2 ZINC001164966825 722070252 /nfs/dbraw/zinc/07/02/52/722070252.db2.gz DVOANKXIAKMGGJ-GASCZTMLSA-N 1 0 379.888 2.520 20 0 GFADRO c1ccc2nc(N3C[C@@H]4C[N@H+](CC5CC5)C[C@H](C3)O4)c(N3CCCCC3)nc2c1 ZINC001164967467 722074830 /nfs/dbraw/zinc/07/48/30/722074830.db2.gz RFVOOILUMDSYAE-KDURUIRLSA-N 1 0 393.535 2.920 20 0 GFADRO c1ccc(-c2nc3ccccc3c(N3C[C@@H]4C[N@H+](CC5CC5)C[C@H](C3)O4)n2)nc1 ZINC001164966545 722075345 /nfs/dbraw/zinc/07/53/45/722075345.db2.gz AHKFJSPSCVELNE-HDICACEKSA-N 1 0 387.487 2.991 20 0 GFADRO c1cc2ncnc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)c2s1 ZINC001164986597 722100751 /nfs/dbraw/zinc/10/07/51/722100751.db2.gz ZKTJWGJLJJGWQX-FUHWJXTLSA-N 1 0 381.505 2.814 20 0 GFADRO c1ccc2c(c1)ncnc2N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164978342 722102066 /nfs/dbraw/zinc/10/20/66/722102066.db2.gz GSXHYJJMHNDOFI-GHTZIAJQSA-N 1 0 375.476 2.752 20 0 GFADRO Clc1cnc(Cl)c(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164983093 722112674 /nfs/dbraw/zinc/11/26/74/722112674.db2.gz YFHUXZYKTWCVHL-CABCVRRESA-N 1 0 394.306 2.906 20 0 GFADRO CC(C)(C)Oc1ccnc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164982483 722120578 /nfs/dbraw/zinc/12/05/78/722120578.db2.gz WRVOAKVLVHMNAY-OALUTQOASA-N 1 0 397.523 2.776 20 0 GFADRO Nc1cc(F)c(Cl)nc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164981474 722132983 /nfs/dbraw/zinc/13/29/83/722132983.db2.gz OVGBYOAKGGUHHG-WMLDXEAASA-N 1 0 391.878 2.579 20 0 GFADRO CCN(CC)c1ccnc([C@@H]2COCCN2c2ccc(C[N@H+](C)C3CC3)cn2)n1 ZINC001165000894 722227467 /nfs/dbraw/zinc/22/74/67/722227467.db2.gz VQRLVRCECXLONS-IBGZPJMESA-N 1 0 396.539 2.890 20 0 GFADRO CCS(=O)(=O)c1ccccc1N1CCC([NH2+][C@H](C)CCn2cccn2)CC1 ZINC000359998338 212131396 /nfs/dbraw/zinc/13/13/96/212131396.db2.gz LSEXNFAJTRFUOB-QGZVFWFLSA-N 1 0 390.553 2.714 20 0 GFADRO COC(=O)N(C)c1ccc(NC(=O)N2CCC([N@@H+]3CCO[C@H](C)C3)CC2)cc1 ZINC000359903182 212123185 /nfs/dbraw/zinc/12/31/85/212123185.db2.gz GFIDIVNLXCRQFL-OAHLLOKOSA-N 1 0 390.484 2.606 20 0 GFADRO C[C@@H]([NH2+][C@@H](C)Cc1nc(-c2ccccc2)no1)c1ccc(-n2cnnn2)cc1 ZINC000359877764 212122133 /nfs/dbraw/zinc/12/21/33/212122133.db2.gz QHYKKSBBVWRSQV-LSDHHAIUSA-N 1 0 375.436 2.994 20 0 GFADRO Cc1oc(C2CC[NH+](C[C@@H](O)CN3CCCC3=O)CC2)nc1-c1ccccc1 ZINC000359872734 212120475 /nfs/dbraw/zinc/12/04/75/212120475.db2.gz KTYQZRLJPRIXBT-LJQANCHMSA-N 1 0 383.492 2.813 20 0 GFADRO O=C(Nc1cc(Cl)ccc1Cl)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000359875216 212119780 /nfs/dbraw/zinc/11/97/80/212119780.db2.gz RULJIKLUNBDVKG-AWEZNQCLSA-N 1 0 387.311 2.521 20 0 GFADRO CC(C)N(C)C(=O)C1CC[NH+]([C@H](C)C(=O)N[C@@H]2CCOc3ccccc32)CC1 ZINC000030978049 212109970 /nfs/dbraw/zinc/10/99/70/212109970.db2.gz SDFYKIHITCVGOF-VQIMIIECSA-N 1 0 387.524 2.594 20 0 GFADRO Cc1ccc(C(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3Cc3ccccc3)CC2)cc1 ZINC000057171575 222029754 /nfs/dbraw/zinc/02/97/54/222029754.db2.gz ZLPQXRIPQVUMLQ-QFIPXVFZSA-N 1 0 391.515 2.944 20 0 GFADRO O=C(CCNC(=O)OCC(F)(F)F)NCc1ccccc1C[NH+]1CCCC1 ZINC000057193028 222030578 /nfs/dbraw/zinc/03/05/78/222030578.db2.gz SFGNJQZDECPYDX-UHFFFAOYSA-N 1 0 387.402 2.577 20 0 GFADRO CC[N@H+](CCCOCC(F)(F)F)CC(=O)Nc1ccc(NC(C)=O)cc1 ZINC000053606758 222010585 /nfs/dbraw/zinc/01/05/85/222010585.db2.gz NZLAFBCFHBRPEB-UHFFFAOYSA-N 1 0 375.391 2.874 20 0 GFADRO CC1(C)CCC[NH2+][C@@H]1CNC(=O)c1c(F)cccc1I ZINC000430636906 563546960 /nfs/dbraw/zinc/54/69/60/563546960.db2.gz ZUOKJHSFFSJAPM-GFCCVEGCSA-N 1 0 390.240 2.938 20 0 GFADRO CCCN(CCS(=O)(=O)c1cccc(Br)c1)C1CC[NH2+]CC1 ZINC000431063926 563552156 /nfs/dbraw/zinc/55/21/56/563552156.db2.gz BPUOCQUCPFEOTI-UHFFFAOYSA-N 1 0 389.359 2.687 20 0 GFADRO NC(=O)C[C@@H]([NH2+]Cc1cc(Cl)cc(Br)c1)C1CCOCC1 ZINC000411514156 563621673 /nfs/dbraw/zinc/62/16/73/563621673.db2.gz FRAXHIXZBXJLDO-CQSZACIVSA-N 1 0 375.694 2.863 20 0 GFADRO CC(C)[N@@H+]1CCC[C@@H](NS(=O)(=O)c2cc(F)ccc2Br)C1 ZINC000435442460 563651099 /nfs/dbraw/zinc/65/10/99/563651099.db2.gz IQWZHWVYLLGAOH-GFCCVEGCSA-N 1 0 379.295 2.739 20 0 GFADRO C[C@H](O)c1ncc(C[NH2+]C[C@@H](CO)Cc2cccc(Br)c2)s1 ZINC000289697729 563683633 /nfs/dbraw/zinc/68/36/33/563683633.db2.gz NMDQJSVLVGCQSH-AAEUAGOBSA-N 1 0 385.327 2.900 20 0 GFADRO [NH3+][C@@H]1CCCN(S(=O)(=O)c2c(Cl)cc(Br)cc2Cl)C1 ZINC000020432476 551115800 /nfs/dbraw/zinc/11/58/00/551115800.db2.gz OPGRVNFYFNAZBQ-MRVPVSSYSA-N 1 0 388.114 2.868 20 0 GFADRO C[NH+](C)CCNC(=O)c1ccc(NC(=O)c2cccc(Br)c2)cc1 ZINC000031465269 551129811 /nfs/dbraw/zinc/12/98/11/551129811.db2.gz GWWVQKPRYNKRHJ-UHFFFAOYSA-N 1 0 390.281 2.993 20 0 GFADRO Cc1ccc(S(=O)(=O)NCCC[NH+]2CCCCC2)c(Br)c1 ZINC000040432279 551134550 /nfs/dbraw/zinc/13/45/50/551134550.db2.gz IAJULAGXYVMDMF-UHFFFAOYSA-N 1 0 375.332 2.912 20 0 GFADRO C[NH+](C)Cc1cccc(CNC(=O)C(=O)Nc2ccccc2Br)c1 ZINC000041860021 551136391 /nfs/dbraw/zinc/13/63/91/551136391.db2.gz UTLFGUZLWGKKIU-UHFFFAOYSA-N 1 0 390.281 2.766 20 0 GFADRO CC(C)[N@H+](C)CCCNC(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000041929291 551136670 /nfs/dbraw/zinc/13/66/70/551136670.db2.gz CODHCSKLQCVLTF-AWEZNQCLSA-N 1 0 396.329 2.649 20 0 GFADRO COc1cc(Br)c(C[NH2+]C[C@@H](O)COc2ccccc2)cc1OC ZINC000042203283 551138685 /nfs/dbraw/zinc/13/86/85/551138685.db2.gz VMCDDPJIQMBKNO-CQSZACIVSA-N 1 0 396.281 2.996 20 0 GFADRO CC(C)C[C@H](CNC(=O)Cc1cc2c(cc1Br)OCCO2)[NH+](C)C ZINC000042588675 551139868 /nfs/dbraw/zinc/13/98/68/551139868.db2.gz FXADTCNNCULTBF-CQSZACIVSA-N 1 0 399.329 2.855 20 0 GFADRO O=C(c1ccccc1I)N1CC[NH+](C2CCCC2)CC1 ZINC000045083794 551145812 /nfs/dbraw/zinc/14/58/12/551145812.db2.gz VUUHIDOFBFQSEO-UHFFFAOYSA-N 1 0 384.261 2.992 20 0 GFADRO O=C(NCCC[NH+]1CCCCCC1)C(=O)Nc1ccc(Br)cc1 ZINC000048847719 551157545 /nfs/dbraw/zinc/15/75/45/551157545.db2.gz PKPWTMFTXKXPSI-UHFFFAOYSA-N 1 0 382.302 2.770 20 0 GFADRO C[C@@H](Cc1ccc(Br)cc1)NC(=O)NCCCC[NH+]1CCOCC1 ZINC000049365500 551158601 /nfs/dbraw/zinc/15/86/01/551158601.db2.gz ARJLNRSNCPFLLN-HNNXBMFYSA-N 1 0 398.345 2.792 20 0 GFADRO CC[NH+](CC)CCNC(=O)[C@@H](NC(=O)c1ccccc1Br)C(C)C ZINC000050081526 551159853 /nfs/dbraw/zinc/15/98/53/551159853.db2.gz YDOPJTFDHUUFFG-INIZCTEOSA-N 1 0 398.345 2.662 20 0 GFADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)[C@H]1C[C@H]1c1cccc(Br)c1 ZINC000049993855 551160049 /nfs/dbraw/zinc/16/00/49/551160049.db2.gz VLKUACYFJOTVAX-NCOADZHNSA-N 1 0 379.298 2.532 20 0 GFADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000049993857 551160288 /nfs/dbraw/zinc/16/02/88/551160288.db2.gz VLKUACYFJOTVAX-WCXIOVBPSA-N 1 0 379.298 2.532 20 0 GFADRO C[NH+]1CCC(NC(=O)CCc2nc(-c3cc(Br)cs3)no2)CC1 ZINC000052982515 551165252 /nfs/dbraw/zinc/16/52/52/551165252.db2.gz ICCVXTOFUNYAIJ-UHFFFAOYSA-N 1 0 399.314 2.704 20 0 GFADRO C[NH+](C)CCOc1ccc(CNS(=O)(=O)c2cccc(Cl)c2F)cc1 ZINC000055246450 551171661 /nfs/dbraw/zinc/17/16/61/551171661.db2.gz YWEPTBIYMVOCRY-UHFFFAOYSA-N 1 0 386.876 2.898 20 0 GFADRO C[NH+](C)CCOc1ccc(CNS(=O)(=O)c2ccc(F)c(Cl)c2)cc1 ZINC000055246543 551172183 /nfs/dbraw/zinc/17/21/83/551172183.db2.gz PLDOQALMAQEBFB-UHFFFAOYSA-N 1 0 386.876 2.898 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)c1ccc(F)cc1I)C1CC1 ZINC000055719819 551174950 /nfs/dbraw/zinc/17/49/50/551174950.db2.gz JXXRXIFDVOFTNZ-CYBMUJFWSA-N 1 0 376.213 2.500 20 0 GFADRO CC[NH+]1CCC(CNC(=O)[C@H](C)NC(=O)c2cccc(Cl)c2Cl)CC1 ZINC000057001546 551179285 /nfs/dbraw/zinc/17/92/85/551179285.db2.gz VCRIKDVFGLHCNF-LBPRGKRZSA-N 1 0 386.323 2.960 20 0 GFADRO COCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](Cc2ccc(F)c(Br)c2)C1 ZINC000064994980 551185363 /nfs/dbraw/zinc/18/53/63/551185363.db2.gz CYJLKZCLPJODJT-OCCSQVGLSA-N 1 0 387.293 2.951 20 0 GFADRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)Nc1cccc(Br)c1 ZINC000067439528 551188997 /nfs/dbraw/zinc/18/89/97/551188997.db2.gz MHXQHKXBQJNXPA-HZSPNIEDSA-N 1 0 396.329 2.870 20 0 GFADRO O[C@H](C[NH2+]Cc1ccccc1Br)COc1ccc2c(c1)OCO2 ZINC000067976013 551190762 /nfs/dbraw/zinc/19/07/62/551190762.db2.gz VEGLPLRSAUWJAR-CYBMUJFWSA-N 1 0 380.238 2.707 20 0 GFADRO C[NH+]1CCC(NC(=O)C2(c3ccc(Br)cc3)CCOCC2)CC1 ZINC000101684163 551197648 /nfs/dbraw/zinc/19/76/48/551197648.db2.gz IOBDTRILTLHNAD-UHFFFAOYSA-N 1 0 381.314 2.708 20 0 GFADRO COc1cc(C)c(Br)cc1S(=O)(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000440830207 563751213 /nfs/dbraw/zinc/75/12/13/563751213.db2.gz XLLRIDHZSOBVJO-LBPRGKRZSA-N 1 0 391.331 2.516 20 0 GFADRO CCC[NH+]1CCC(NC(=O)c2cc(=O)c3cc(Br)ccc3[nH]2)CC1 ZINC000112626655 551206123 /nfs/dbraw/zinc/20/61/23/551206123.db2.gz KQYMMMBMFJOIEY-UHFFFAOYSA-N 1 0 392.297 2.895 20 0 GFADRO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CCCO[C@@H]1CCOC1 ZINC000119161249 551215826 /nfs/dbraw/zinc/21/58/26/551215826.db2.gz PEIUCAGXDCAJLS-CZUORRHYSA-N 1 0 385.302 2.951 20 0 GFADRO Cc1cc(NC(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)ccc1Br ZINC000120369832 551220489 /nfs/dbraw/zinc/22/04/89/551220489.db2.gz RENVTZRBJORTJY-CZUORRHYSA-N 1 0 394.313 2.639 20 0 GFADRO COC(=O)CC1([NH2+]CC(=O)Nc2cc(Cl)ccc2Cl)CCOCC1 ZINC000120388889 551220625 /nfs/dbraw/zinc/22/06/25/551220625.db2.gz KUVBZHNLUZDOKS-UHFFFAOYSA-N 1 0 375.252 2.634 20 0 GFADRO O=S1(=O)CCC(C[NH2+]Cc2cc(Cl)ccc2OC[C@H]2CCCO2)CC1 ZINC000120789401 551222037 /nfs/dbraw/zinc/22/20/37/551222037.db2.gz LDDCCNPFZUOGHZ-QGZVFWFLSA-N 1 0 387.929 2.812 20 0 GFADRO CC[NH+]1CCC(CCNS(=O)(=O)Cc2ccc(Br)cc2)CC1 ZINC000120974689 551224400 /nfs/dbraw/zinc/22/44/00/551224400.db2.gz DMYRMDLDLKPPOC-UHFFFAOYSA-N 1 0 389.359 2.991 20 0 GFADRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1cc(=O)[nH]c2ccc(Br)cc21 ZINC000121142243 551227926 /nfs/dbraw/zinc/22/79/26/551227926.db2.gz QHPCTXIBWXRKAA-BZNIZROVSA-N 1 0 392.297 2.703 20 0 GFADRO Cc1cccc(NC(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c1Br ZINC000121153155 551228090 /nfs/dbraw/zinc/22/80/90/551228090.db2.gz DJHDRNAVLURDLG-UKRRQHHQSA-N 1 0 394.313 2.639 20 0 GFADRO C[N@H+](CCOc1cc(Cl)ccc1Cl)C1CCN(S(C)(=O)=O)CC1 ZINC000121663395 551239128 /nfs/dbraw/zinc/23/91/28/551239128.db2.gz OIYXGDVPCJJCOG-UHFFFAOYSA-N 1 0 381.325 2.728 20 0 GFADRO C[C@@H](NC(=O)[C@@H]1CCC[NH2+]C1)c1nc(-c2ccc(Br)cc2)no1 ZINC000122561474 551300022 /nfs/dbraw/zinc/30/00/22/551300022.db2.gz SREDCAGYHIUAGQ-ZYHUDNBSSA-N 1 0 379.258 2.676 20 0 GFADRO COC(=O)c1sc2ccccc2c1S(=O)(=O)N1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000123062616 551302456 /nfs/dbraw/zinc/30/24/56/551302456.db2.gz SAKZQSQFTNAXFM-YPMHNXCESA-N 1 0 382.507 2.578 20 0 GFADRO CN1C[C@@H]([NH2+]Cc2ccc(Br)c(Br)c2)CCC1=O ZINC000124569948 551315965 /nfs/dbraw/zinc/31/59/65/551315965.db2.gz NRXQYQDRSUFTBI-JTQLQIEISA-N 1 0 376.092 2.922 20 0 GFADRO O=C(c1cnccn1)N1CCC([NH2+]Cc2ccc(Br)s2)CC1 ZINC000124646953 551316103 /nfs/dbraw/zinc/31/61/03/551316103.db2.gz KTGSFXYKQLRAPD-UHFFFAOYSA-N 1 0 381.299 2.695 20 0 GFADRO O=C(c1cnccn1)N1CCC([NH2+]Cc2ccccc2Br)CC1 ZINC000124644869 551316341 /nfs/dbraw/zinc/31/63/41/551316341.db2.gz OIDWTETWNDRMNH-UHFFFAOYSA-N 1 0 375.270 2.634 20 0 GFADRO CC[N@@H+]1CC[C@H](CNC(=O)c2c(C)c3cc(Br)ccc3oc2=O)C1 ZINC000124701863 551316782 /nfs/dbraw/zinc/31/67/82/551316782.db2.gz DDXSMOWBWCZSBE-GFCCVEGCSA-N 1 0 393.281 2.936 20 0 GFADRO Cc1ccc(CC[NH+]2CCC(N(CC(F)(F)F)S(C)(=O)=O)CC2)cc1 ZINC000124891301 551318608 /nfs/dbraw/zinc/31/86/08/551318608.db2.gz ADAQGCKQKSOHKY-UHFFFAOYSA-N 1 0 378.460 2.826 20 0 GFADRO C[C@H]1C[N@@H+](C2CCN(C(=O)Nc3cncc(Br)c3)CC2)CCO1 ZINC000126531101 551330963 /nfs/dbraw/zinc/33/09/63/551330963.db2.gz WZRHOHPLHKYFES-LBPRGKRZSA-N 1 0 383.290 2.561 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)C(=O)N1CCc2c1cccc2Cl)c1cccs1 ZINC000127724125 551344055 /nfs/dbraw/zinc/34/40/55/551344055.db2.gz HFJZJQXCEWKROE-HNNXBMFYSA-N 1 0 377.897 2.710 20 0 GFADRO Cc1ccc(Br)c(S(=O)(=O)N2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000127766649 551344601 /nfs/dbraw/zinc/34/46/01/551344601.db2.gz AESQDPOYWWRFQK-CQSZACIVSA-N 1 0 387.343 2.864 20 0 GFADRO Cc1nc(SCC(=O)NC[C@H](c2cccs2)[NH+]2CCC(C)CC2)n[nH]1 ZINC000128000634 551345682 /nfs/dbraw/zinc/34/56/82/551345682.db2.gz YGYQTIKNCGQEHB-CQSZACIVSA-N 1 0 379.555 2.856 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)c1c(F)cccc1I)C1CC1 ZINC000128336903 551349038 /nfs/dbraw/zinc/34/90/38/551349038.db2.gz HBTMYEBULYCWLQ-LBPRGKRZSA-N 1 0 376.213 2.500 20 0 GFADRO CCOc1ccc(S(=O)(=O)N2CCC([NH+](C)C)CC2)cc1Br ZINC000128944710 551353514 /nfs/dbraw/zinc/35/35/14/551353514.db2.gz MNMCRHMERNXLPG-UHFFFAOYSA-N 1 0 391.331 2.563 20 0 GFADRO Cc1sc(C(=O)NC[C@@]2([NH+](C)C)CCC[C@@H](C)C2)cc1CS(C)(=O)=O ZINC000130388444 551364248 /nfs/dbraw/zinc/36/42/48/551364248.db2.gz PEHHHMCUYHASJR-FZKQIMNGSA-N 1 0 386.583 2.841 20 0 GFADRO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)CSCc1cscn1 ZINC000131489708 551374417 /nfs/dbraw/zinc/37/44/17/551374417.db2.gz XETGZBJDFJCNOG-YOEHRIQHSA-N 1 0 376.551 2.798 20 0 GFADRO CC[NH2+]CC1CCN(C(=O)c2csc(I)c2)CC1 ZINC000131532386 551374787 /nfs/dbraw/zinc/37/47/87/551374787.db2.gz FUOSKEYCCVMGDY-UHFFFAOYSA-N 1 0 378.279 2.814 20 0 GFADRO CCn1nccc1C[N@@H+]1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000131799440 551375887 /nfs/dbraw/zinc/37/58/87/551375887.db2.gz JJWGHXYHYPYBBS-CYBMUJFWSA-N 1 0 392.301 2.911 20 0 GFADRO O=S(=O)(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1c(F)cccc1Cl ZINC000133102448 551381310 /nfs/dbraw/zinc/38/13/10/551381310.db2.gz FTSFNKRDZLUMLZ-HZPDHXFCSA-N 1 0 390.908 2.525 20 0 GFADRO C[N@H+](CC(=O)Nc1cccc(I)c1)[C@H](CO)C(C)(C)C ZINC000134428558 551385494 /nfs/dbraw/zinc/38/54/94/551385494.db2.gz DLHNCQLBTYCZML-CYBMUJFWSA-N 1 0 390.265 2.569 20 0 GFADRO C[NH+](C)C1CN(C(=O)c2ccc(NC(=O)CSc3cccs3)cc2)C1 ZINC000134979371 551386765 /nfs/dbraw/zinc/38/67/65/551386765.db2.gz HFGVGFHYPZAXQC-UHFFFAOYSA-N 1 0 375.519 2.865 20 0 GFADRO C[C@H](NC(=O)NC[C@@H]1CCC[N@@H+]1C)c1cc2c(cc1Br)OCCO2 ZINC000139764420 551392786 /nfs/dbraw/zinc/39/27/86/551392786.db2.gz DTTAKNCHFBRWOA-RYUDHWBXSA-N 1 0 398.301 2.675 20 0 GFADRO C[C@@H](CNC(=O)c1ccc(Cl)c(NS(C)(=O)=O)c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000140262080 551393331 /nfs/dbraw/zinc/39/33/31/551393331.db2.gz HMPIRMXPLAPDLI-OLZOCXBDSA-N 1 0 387.933 2.562 20 0 GFADRO CCS(=O)(=O)CC[NH2+]Cc1ccc(Br)c(Br)c1 ZINC000150756313 551401304 /nfs/dbraw/zinc/40/13/04/551401304.db2.gz YGIPVGBWPXGWEV-UHFFFAOYSA-N 1 0 385.121 2.736 20 0 GFADRO C[NH2+][C@@H]1CCCN(C(=O)CCC(=O)c2cc(Br)ccc2OC)C1 ZINC000150998528 551405382 /nfs/dbraw/zinc/40/53/82/551405382.db2.gz RUIALKRTDZESMB-CYBMUJFWSA-N 1 0 383.286 2.631 20 0 GFADRO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)[C@@H](C)NC(=O)c1cccc(Cl)c1Cl ZINC000151271178 551410507 /nfs/dbraw/zinc/41/05/07/551410507.db2.gz JBDMPDOJIVUCCI-DOMZBBRYSA-N 1 0 386.323 2.910 20 0 GFADRO CC(C)COC[C@@H](O)C[NH2+][C@@H](C)CC(=O)Nc1cccc(Br)c1 ZINC000151409619 551412939 /nfs/dbraw/zinc/41/29/39/551412939.db2.gz FBBISSTXGVTFLY-BBRMVZONSA-N 1 0 387.318 2.789 20 0 GFADRO O=S(=O)(c1cc(Br)ccc1F)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000151617584 551418365 /nfs/dbraw/zinc/41/83/65/551418365.db2.gz DODKTFNUSAGPBS-GFCCVEGCSA-N 1 0 391.306 2.695 20 0 GFADRO CCO[C@@H](CC[NH+](C)C)CNS(=O)(=O)Cc1cc(Cl)cc(Cl)c1 ZINC000151732492 551420519 /nfs/dbraw/zinc/42/05/19/551420519.db2.gz HBNMQCRTQVQWLX-HNNXBMFYSA-N 1 0 383.341 2.770 20 0 GFADRO O=C(c1ccc(F)c(I)c1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000151785690 551421005 /nfs/dbraw/zinc/42/10/05/551421005.db2.gz JVKOTMJFBVECLF-GFCCVEGCSA-N 1 0 388.224 2.741 20 0 GFADRO C[C@H]([NH2+]CCCOCC(F)(F)F)c1cccc(N2CCCS2(=O)=O)c1 ZINC000151823610 551421771 /nfs/dbraw/zinc/42/17/71/551421771.db2.gz VMEXEDZDQIQAIQ-ZDUSSCGKSA-N 1 0 380.432 2.846 20 0 GFADRO CCn1c(SCC(=O)N(CC[NH+](C)C)C(C)C)nnc1-c1cccs1 ZINC000151832327 551421922 /nfs/dbraw/zinc/42/19/22/551421922.db2.gz XODSCEMVVBOPQA-UHFFFAOYSA-N 1 0 381.571 2.917 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000151869993 551422348 /nfs/dbraw/zinc/42/23/48/551422348.db2.gz YDNSKFIHXJWAFG-JSGCOSHPSA-N 1 0 394.313 2.746 20 0 GFADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)Nc2cccc(Cl)c2Cl)CC1 ZINC000152012168 551424912 /nfs/dbraw/zinc/42/49/12/551424912.db2.gz YMCUFXKJXKLWCD-AWEZNQCLSA-N 1 0 385.295 2.764 20 0 GFADRO COc1ccc(C(=O)NC[C@H](C)[N@H+](C)C2CC2)cc1I ZINC000152043452 551425246 /nfs/dbraw/zinc/42/52/46/551425246.db2.gz LLSBIELMVHFTOO-JTQLQIEISA-N 1 0 388.249 2.512 20 0 GFADRO C[NH2+]CC1CCN(C(=O)[C@@H]2CCN(c3cc(Cl)cc(Cl)c3)C2=O)CC1 ZINC000152314790 551430328 /nfs/dbraw/zinc/43/03/28/551430328.db2.gz YDRMAFPCKBCOJO-INIZCTEOSA-N 1 0 384.307 2.804 20 0 GFADRO O=C(CC[N@@H+]1CCO[C@@H]([C@@H]2CCCO2)C1)Nc1ccccc1Br ZINC000152312206 551430479 /nfs/dbraw/zinc/43/04/79/551430479.db2.gz VGOVAMBIVHMTNT-JKSUJKDBSA-N 1 0 383.286 2.658 20 0 GFADRO COCCN(CC[NH+](C)C)C(=O)N[C@@H](C)Cc1ccccc1Br ZINC000152654823 551437270 /nfs/dbraw/zinc/43/72/70/551437270.db2.gz QTNWOOQRHFSOMW-AWEZNQCLSA-N 1 0 386.334 2.600 20 0 GFADRO O=C(Cc1ccc(Br)c(F)c1)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000152855891 551441024 /nfs/dbraw/zinc/44/10/24/551441024.db2.gz YEWGOOIGEFHHDI-CQSZACIVSA-N 1 0 399.304 2.748 20 0 GFADRO CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(Br)c(Br)c2)C1 ZINC000152878954 551441596 /nfs/dbraw/zinc/44/15/96/551441596.db2.gz OIAKROUSKYBJLA-LLVKDONJSA-N 1 0 376.092 2.922 20 0 GFADRO Cc1cc(S(=O)(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)sc1Br ZINC000152913115 551442831 /nfs/dbraw/zinc/44/28/31/551442831.db2.gz MQFSUZQJKMECRG-NEPJUHHUSA-N 1 0 393.372 2.924 20 0 GFADRO Clc1ccc(CCN2CC[NH+](CCCN3CCOCC3)CC2)cc1Cl ZINC000153228813 551449099 /nfs/dbraw/zinc/44/90/99/551449099.db2.gz RVFGCKCBQWHMQB-UHFFFAOYSA-N 1 0 386.367 2.876 20 0 GFADRO O[C@H](C[N@@H+]1CCC[C@H](CN2CCOCC2)C1)c1ccccc1Br ZINC000153517984 551454338 /nfs/dbraw/zinc/45/43/38/551454338.db2.gz HIUOUZRKKOKTJH-CRAIPNDOSA-N 1 0 383.330 2.527 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000153561961 551455633 /nfs/dbraw/zinc/45/56/33/551455633.db2.gz CBCIMPDTUGPQHY-ZNMIVQPWSA-N 1 0 384.567 2.560 20 0 GFADRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)Nc1cncc(Br)c1 ZINC000153600173 551456665 /nfs/dbraw/zinc/45/66/65/551456665.db2.gz CLQCACKWIQGWQW-ZDUSSCGKSA-N 1 0 397.317 2.553 20 0 GFADRO CN(C(=O)c1ccn(-c2cccc(Br)c2)n1)[C@H]1CCC[N@H+](C)C1 ZINC000153766036 551459934 /nfs/dbraw/zinc/45/99/34/551459934.db2.gz YLBYIPVOGWYMMD-HNNXBMFYSA-N 1 0 377.286 2.801 20 0 GFADRO C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)Nc2ccc(C(F)(F)F)cc2Cl)C1 ZINC000153780083 551460727 /nfs/dbraw/zinc/46/07/27/551460727.db2.gz NRTVHJXPAIHVHS-JTQLQIEISA-N 1 0 377.794 2.755 20 0 GFADRO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)CCn1cc(Br)ccc1=O ZINC000154074519 551466723 /nfs/dbraw/zinc/46/67/23/551466723.db2.gz BOQSBTGITYHHBR-INIZCTEOSA-N 1 0 398.345 2.628 20 0 GFADRO C[C@H]1C[C@@H](NC(=O)Cc2ccccc2I)C[N@@H+]1C1CC1 ZINC000154069013 551466936 /nfs/dbraw/zinc/46/69/36/551466936.db2.gz SVAXKMPJECJQJX-WCQYABFASA-N 1 0 384.261 2.575 20 0 GFADRO C[C@H]1C[C@H]([NH3+])CCN1C(=O)c1ccc(I)c(Cl)c1 ZINC000154116964 551467759 /nfs/dbraw/zinc/46/77/59/551467759.db2.gz GICJISNBGLVRLM-WCBMZHEXSA-N 1 0 378.641 2.896 20 0 GFADRO C[C@@H](COc1ccc2cc(Br)ccc2c1)[NH2+]C[C@@H](O)CN(C)C ZINC000154270401 551471004 /nfs/dbraw/zinc/47/10/04/551471004.db2.gz UCHQHMKTQWSRAT-SUMWQHHRSA-N 1 0 381.314 2.882 20 0 GFADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)CNC(=O)c3ccc(Cl)c(Cl)c3)CC[C@@H]21 ZINC000155337922 551497445 /nfs/dbraw/zinc/49/74/45/551497445.db2.gz UJCFLKBLVBRDKJ-CJNGLKHVSA-N 1 0 384.307 2.666 20 0 GFADRO CC[N@@H+]1CCC[C@H](CNS(=O)(=O)c2cccc(C)c2Br)C1 ZINC000155785762 551507676 /nfs/dbraw/zinc/50/76/76/551507676.db2.gz CHMOSXRMARWTQG-CYBMUJFWSA-N 1 0 375.332 2.768 20 0 GFADRO COc1ccc(Br)c(CC(=O)N2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000156249190 551518380 /nfs/dbraw/zinc/51/83/80/551518380.db2.gz ZEQRBOFWRZDFOH-UHFFFAOYSA-N 1 0 390.281 2.744 20 0 GFADRO C[C@H]1C[C@@H](N(C)C(=O)c2ccc(F)c(I)c2)CC[N@@H+]1C ZINC000156319889 551519947 /nfs/dbraw/zinc/51/99/47/551519947.db2.gz FVUULFIPVYUGMK-JQWIXIFHSA-N 1 0 390.240 2.985 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@@H](NS(=O)(=O)c2cc(F)ccc2Br)C1 ZINC000156522203 551524112 /nfs/dbraw/zinc/52/41/12/551524112.db2.gz QZRIURUXRHEZLE-VXGBXAGGSA-N 1 0 379.295 2.739 20 0 GFADRO CC(=O)N1CC[C@@H](C[N@@H+](C)CC(=O)N[C@H](C)c2ccc(Cl)c(Cl)c2)C1 ZINC000156613413 551526180 /nfs/dbraw/zinc/52/61/80/551526180.db2.gz ODRRCXUPIUYFJD-OCCSQVGLSA-N 1 0 386.323 2.971 20 0 GFADRO COC(=O)Cc1csc(NC(=O)C[NH2+]C(C)(C)c2ccc(Cl)cc2)n1 ZINC000156617315 551526272 /nfs/dbraw/zinc/52/62/72/551526272.db2.gz HNLPMXQXGUEVOB-UHFFFAOYSA-N 1 0 381.885 2.975 20 0 GFADRO C[NH+](C)Cc1cccc(CNC(=O)c2cncc(I)c2)c1 ZINC000156837583 551529490 /nfs/dbraw/zinc/52/94/90/551529490.db2.gz NQBWVECBONMZGQ-UHFFFAOYSA-N 1 0 395.244 2.678 20 0 GFADRO C[C@@H]1CCCN(C(=O)Cc2csc(NC(=O)c3cccs3)n2)[C@@H]1C[NH3+] ZINC000156951566 551530656 /nfs/dbraw/zinc/53/06/56/551530656.db2.gz BMZQPEDGRZLVEM-DGCLKSJQSA-N 1 0 378.523 2.585 20 0 GFADRO COc1cc(OC)c(CC[NH2+][C@H](C)Cn2cc(Br)cn2)c(OC)c1 ZINC000157114308 551533187 /nfs/dbraw/zinc/53/31/87/551533187.db2.gz ISLIJEGGSBVTRU-GFCCVEGCSA-N 1 0 398.301 2.892 20 0 GFADRO NC(=O)[C@@H](c1ccc(Br)cc1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157491643 551538881 /nfs/dbraw/zinc/53/88/81/551538881.db2.gz ODZJDYDGPNFETR-DLBZAZTESA-N 1 0 380.330 2.926 20 0 GFADRO CNS(=O)(=O)c1cccc([C@H](C)[NH2+]C[C@@](C)(O)c2ccccc2Cl)c1 ZINC000157611105 551540258 /nfs/dbraw/zinc/54/02/58/551540258.db2.gz ZSLCYTLIARJLGK-SCLBCKFNSA-N 1 0 382.913 2.806 20 0 GFADRO Cc1cc(COc2ccc(C(=O)N3CCC[C@@H]([NH3+])C3)cc2Br)on1 ZINC000157743133 551541970 /nfs/dbraw/zinc/54/19/70/551541970.db2.gz ASANIENLNHGSQB-CYBMUJFWSA-N 1 0 394.269 2.888 20 0 GFADRO CCOCCO[C@H]1CC[N@H+](C[C@@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000157867596 551543765 /nfs/dbraw/zinc/54/37/65/551543765.db2.gz BQWJSHBKSJCTJS-KGLIPLIRSA-N 1 0 378.296 2.861 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000157965795 551545470 /nfs/dbraw/zinc/54/54/70/551545470.db2.gz RUZHWMYIDXGFBB-CYBMUJFWSA-N 1 0 383.334 2.763 20 0 GFADRO Cc1c(Br)cccc1NC(=O)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000158160975 551547254 /nfs/dbraw/zinc/54/72/54/551547254.db2.gz YVZQFOAESLBUCW-UHFFFAOYSA-N 1 0 396.329 2.933 20 0 GFADRO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)C1CCN(C(=O)c2ccc(Cl)s2)CC1 ZINC000158497147 551552810 /nfs/dbraw/zinc/55/28/10/551552810.db2.gz XFTSMHZFEGHYKK-UONOGXRCSA-N 1 0 383.945 2.887 20 0 GFADRO CC(C)[C@@H](CNC(=O)[C@H](C)c1ccc(Br)cc1)[NH+]1CCN(C)CC1 ZINC000158557762 551553786 /nfs/dbraw/zinc/55/37/86/551553786.db2.gz IKHPUFGUTBYXGA-CRAIPNDOSA-N 1 0 396.373 2.941 20 0 GFADRO Cc1cc(S(=O)(=O)N2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)c(C)s1 ZINC000158827511 551557323 /nfs/dbraw/zinc/55/73/23/551557323.db2.gz WMFHMZASTCQILA-HUUCEWRRSA-N 1 0 385.599 2.544 20 0 GFADRO CC(C)NC(=O)CC[NH+]1CCN(Cc2ccc(Br)c(F)c2)CC1 ZINC000161705320 551597634 /nfs/dbraw/zinc/59/76/34/551597634.db2.gz MJJPZKPDSXNOTN-UHFFFAOYSA-N 1 0 386.309 2.621 20 0 GFADRO O=S(=O)(Cc1ccc(Cl)c(Cl)c1)NCCCC[N@H+]1CCC[C@@H]1CO ZINC000161742053 551598254 /nfs/dbraw/zinc/59/82/54/551598254.db2.gz YVIPDTZCIKWVHB-CQSZACIVSA-N 1 0 395.352 2.650 20 0 GFADRO Cc1c(C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)cnn1-c1ccc(Br)cc1 ZINC000161968448 551601394 /nfs/dbraw/zinc/60/13/94/551601394.db2.gz OBYFUYQPCUQJNN-ZIAGYGMSSA-N 1 0 377.286 2.943 20 0 GFADRO O=S(=O)(NCC[NH+]1CCCCCC1)c1ccc(Br)cc1F ZINC000162009479 551602428 /nfs/dbraw/zinc/60/24/28/551602428.db2.gz WLMSVQRCIQQNAG-UHFFFAOYSA-N 1 0 379.295 2.743 20 0 GFADRO Cc1nn(C)cc1C[NH2+]CCC(=O)N(C)Cc1ccccc1Br ZINC000162194810 551604811 /nfs/dbraw/zinc/60/48/11/551604811.db2.gz YFKXSGBAIPLHDI-UHFFFAOYSA-N 1 0 379.302 2.629 20 0 GFADRO C[C@H](CNC(=O)C[C@@H](C)c1ccc(Br)cc1)C[NH+]1CCN(C)CC1 ZINC000162223776 551605475 /nfs/dbraw/zinc/60/54/75/551605475.db2.gz FKIBIISHWMVSPH-HZPDHXFCSA-N 1 0 396.373 2.942 20 0 GFADRO NC(=O)[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)c1ccc(Br)cc1 ZINC000162948293 551614745 /nfs/dbraw/zinc/61/47/45/551614745.db2.gz LCHTXPVLFRRZFI-JJXSEGSLSA-N 1 0 379.298 2.913 20 0 GFADRO O=C(Nc1cc(F)ccc1Br)C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000163152125 551616769 /nfs/dbraw/zinc/61/67/69/551616769.db2.gz VQAIHZNBXUUMRT-UHFFFAOYSA-N 1 0 398.276 2.614 20 0 GFADRO C[C@@H]1CCN(S(=O)(=O)c2ccc(Br)cc2Cl)C[C@@H]1C[NH3+] ZINC000163765396 551621905 /nfs/dbraw/zinc/62/19/05/551621905.db2.gz ULAULKXVWMJREP-ZJUUUORDSA-N 1 0 381.723 2.708 20 0 GFADRO CCOC(=O)[C@H]1CSCCN1CCC(=O)Nc1cc(Cl)ccc1OC ZINC000164650525 551626660 /nfs/dbraw/zinc/62/66/60/551626660.db2.gz VNPJLEWFJWWHGY-CQSZACIVSA-N 1 0 386.901 2.658 20 0 GFADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)c1cc2cc(Br)ccc2[nH]1 ZINC000170808883 551640217 /nfs/dbraw/zinc/64/02/17/551640217.db2.gz STVMVNVZWADWCE-AWEZNQCLSA-N 1 0 380.286 2.771 20 0 GFADRO C[NH+](C)CCOc1ccc(CNC(=O)c2ccc(Br)cn2)cc1 ZINC000171187306 551649100 /nfs/dbraw/zinc/64/91/00/551649100.db2.gz NEOXSQFFZJLCHP-UHFFFAOYSA-N 1 0 378.270 2.715 20 0 GFADRO CC[NH+]1CCN(CCC(=O)N[C@H](C)Cc2cccc(Br)c2)CC1 ZINC000171275049 551651965 /nfs/dbraw/zinc/65/19/65/551651965.db2.gz RSGNOCPQYLLPNT-OAHLLOKOSA-N 1 0 382.346 2.524 20 0 GFADRO CN(C(=O)[C@@]12CCC(=O)N1c1cc(Cl)ccc1S2)C1CC[NH+](C)CC1 ZINC000171534897 551657676 /nfs/dbraw/zinc/65/76/76/551657676.db2.gz RRGJPZWUTAVVAE-SFHVURJKSA-N 1 0 379.913 2.821 20 0 GFADRO COC(C)(C)C(=O)NC1CC[NH+](CCOc2ccc(Br)cc2)CC1 ZINC000172376172 551677728 /nfs/dbraw/zinc/67/77/28/551677728.db2.gz GSSMZUAMIPIFIC-UHFFFAOYSA-N 1 0 399.329 2.834 20 0 GFADRO O=C(NCCCC[NH+]1CCOCC1)N1CCc2cccc(Br)c2C1 ZINC000172429499 551678996 /nfs/dbraw/zinc/67/89/96/551678996.db2.gz XFKQAOWDBMWUHV-UHFFFAOYSA-N 1 0 396.329 2.629 20 0 GFADRO C[C@@H](NC(=O)N1CCC([N@H+](C)CCCO)CC1)c1ccc(Br)cc1 ZINC000172592612 551682500 /nfs/dbraw/zinc/68/25/00/551682500.db2.gz QWPSBQBZXYYBPO-CQSZACIVSA-N 1 0 398.345 2.998 20 0 GFADRO O=S(=O)(c1ccc(Br)c(F)c1)N1CCC([NH+]2CCCC2)CC1 ZINC000173041030 551692992 /nfs/dbraw/zinc/69/29/92/551692992.db2.gz IBPMCHQQURYSNJ-UHFFFAOYSA-N 1 0 391.306 2.837 20 0 GFADRO CC(C)c1cc(Br)ccc1NC(=O)C(=O)N[C@@H](CC[NH3+])C(F)F ZINC000415783467 563796305 /nfs/dbraw/zinc/79/63/05/563796305.db2.gz GEIFVVFQIPKMRG-LBPRGKRZSA-N 1 0 392.244 2.610 20 0 GFADRO CCC([NH3+])(CC)CNC(=O)Nc1ccc(I)cc1OC ZINC000415768803 563795574 /nfs/dbraw/zinc/79/55/74/563795574.db2.gz CXXNJPHUMQXKFE-UHFFFAOYSA-N 1 0 391.253 2.939 20 0 GFADRO CN(CC1CC[NH+](C)CC1)S(=O)(=O)c1ccc(F)c(Br)c1 ZINC000173200717 552079011 /nfs/dbraw/zinc/07/90/11/552079011.db2.gz CHGBWGCGNPIPPX-UHFFFAOYSA-N 1 0 379.295 2.551 20 0 GFADRO C[NH+]1CCN([C@H]2CCCCN(C(=O)c3cc(Br)ccc3F)C2)CC1 ZINC000173295560 552082143 /nfs/dbraw/zinc/08/21/43/552082143.db2.gz ROXNJWZKVDJVSN-HNNXBMFYSA-N 1 0 398.320 2.830 20 0 GFADRO CC[NH+]1CCC(CCNS(=O)(=O)c2ccccc2Br)CC1 ZINC000173514370 552087296 /nfs/dbraw/zinc/08/72/96/552087296.db2.gz QWQJSIDKTUNGKN-UHFFFAOYSA-N 1 0 375.332 2.849 20 0 GFADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(Br)cc2)C1 ZINC000173646159 552090012 /nfs/dbraw/zinc/09/00/12/552090012.db2.gz VMOWISPTGHOIAF-ZDUSSCGKSA-N 1 0 382.302 2.578 20 0 GFADRO COCC[NH+]1CCC(NC(=O)c2sc(C)c(Br)c2OC)CC1 ZINC000173835890 552093276 /nfs/dbraw/zinc/09/32/76/552093276.db2.gz VZZOCTJPCWZQNN-UHFFFAOYSA-N 1 0 391.331 2.668 20 0 GFADRO Cc1ccc(Br)cc1C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000173836753 552093575 /nfs/dbraw/zinc/09/35/75/552093575.db2.gz CICCKFKKYKLFNT-CQSZACIVSA-N 1 0 381.314 2.988 20 0 GFADRO CC(C)OCC[NH+]1CCN(C[C@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000173961221 552096067 /nfs/dbraw/zinc/09/60/67/552096067.db2.gz BYEHAGILNPMXBE-HNNXBMFYSA-N 1 0 391.339 2.776 20 0 GFADRO C[C@@H](C[NH3+])NC(=O)Nc1cnn(Cc2ccc(Br)cc2Cl)c1 ZINC000415819709 563798204 /nfs/dbraw/zinc/79/82/04/563798204.db2.gz JJOKKGJACPGQAC-VIFPVBQESA-N 1 0 386.681 2.816 20 0 GFADRO COCCOC[C@H]1CC[N@H+](Cc2ccc(I)cc2)C1 ZINC000174115586 552099707 /nfs/dbraw/zinc/09/97/07/552099707.db2.gz GMWBDOSSNYHSQO-AWEZNQCLSA-N 1 0 375.250 2.776 20 0 GFADRO COCCOC[C@H]1CC[N@H+](Cc2ccc(OC)c(OC)c2Br)C1 ZINC000174118661 552099714 /nfs/dbraw/zinc/09/97/14/552099714.db2.gz ANEKTBHHIUSAOU-ZDUSSCGKSA-N 1 0 388.302 2.951 20 0 GFADRO C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000174210391 552102551 /nfs/dbraw/zinc/10/25/51/552102551.db2.gz CVORZKRKOPSRRB-ZIAGYGMSSA-N 1 0 387.307 2.941 20 0 GFADRO CC[NH+](CC)CCSCC(=O)NCCc1cc(Cl)c2c(c1)OCCO2 ZINC000174488477 552105278 /nfs/dbraw/zinc/10/52/78/552105278.db2.gz ZZEISILVZSLFTN-UHFFFAOYSA-N 1 0 386.945 2.845 20 0 GFADRO CCCC[NH+]1CCC(NC(=O)C(=O)Nc2cccc(Br)c2)CC1 ZINC000174960865 552113209 /nfs/dbraw/zinc/11/32/09/552113209.db2.gz XWBCHIVSGRTPQJ-UHFFFAOYSA-N 1 0 382.302 2.768 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@@H](NS(=O)(=O)c2ccc(F)cc2Br)C1 ZINC000175085340 552115314 /nfs/dbraw/zinc/11/53/14/552115314.db2.gz DEOWOILWCJZOAD-VXGBXAGGSA-N 1 0 379.295 2.739 20 0 GFADRO CC(=O)Nc1cc(F)c(S(=O)(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)cc1Cl ZINC000175085623 552115505 /nfs/dbraw/zinc/11/55/05/552115505.db2.gz CRUJIDCGLARLHJ-NEPJUHHUSA-N 1 0 391.896 2.589 20 0 GFADRO NC(=O)C[C@H]1CCC[N@H+](CCC(=O)Nc2ccc(Br)cc2F)C1 ZINC000175235361 552118525 /nfs/dbraw/zinc/11/85/25/552118525.db2.gz IJTGIVLGPKKDCM-LLVKDONJSA-N 1 0 386.265 2.504 20 0 GFADRO Cn1cc(-c2ncc(C(=O)N(CC[NH+](C)C)Cc3cccs3)s2)cn1 ZINC000175667805 552126291 /nfs/dbraw/zinc/12/62/91/552126291.db2.gz FDYVGPYHOMWNLY-UHFFFAOYSA-N 1 0 375.523 2.809 20 0 GFADRO COCCC[N@H+](C)CCNC(=O)N[C@H](C)Cc1ccc(Br)cc1 ZINC000175703622 552127573 /nfs/dbraw/zinc/12/75/73/552127573.db2.gz FWTJYZFDSNLIAJ-CQSZACIVSA-N 1 0 386.334 2.648 20 0 GFADRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)c1cc(=O)[nH]c2c(Br)cccc12 ZINC000175733505 552128019 /nfs/dbraw/zinc/12/80/19/552128019.db2.gz BHCLARFUPFEDOH-NSHDSACASA-N 1 0 390.281 2.505 20 0 GFADRO O=C(c1cc(=O)[nH]c2c(Br)cccc12)N1CCC[N@@H+](C2CC2)CC1 ZINC000175950122 552132703 /nfs/dbraw/zinc/13/27/03/552132703.db2.gz YPOYZJHEDNEZDP-UHFFFAOYSA-N 1 0 390.281 2.601 20 0 GFADRO COCCC[N@H+](C)CCNC(=O)N[C@H](C)Cc1cccc(Br)c1 ZINC000175928099 552132836 /nfs/dbraw/zinc/13/28/36/552132836.db2.gz RHFAYFJQTWIYNA-CQSZACIVSA-N 1 0 386.334 2.648 20 0 GFADRO O=C1CNC(=O)N1CCC[N@H+]1CCC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000175931761 552132875 /nfs/dbraw/zinc/13/28/75/552132875.db2.gz BWHPBQWVBUFSJL-CYBMUJFWSA-N 1 0 386.279 2.779 20 0 GFADRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NCCOc1cccc(Br)c1 ZINC000176051227 552135015 /nfs/dbraw/zinc/13/50/15/552135015.db2.gz YJDFKQWZBFPNIU-CJNGLKHVSA-N 1 0 384.318 2.810 20 0 GFADRO C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)C(=O)Nc1c(F)cccc1Br)C2 ZINC000176091051 552135439 /nfs/dbraw/zinc/13/54/39/552135439.db2.gz DEAUETPOFZSXBO-YOGCLGLASA-N 1 0 398.276 2.658 20 0 GFADRO COc1nc(NC2CC[NH+](Cc3ccccn3)CC2)ncc1Br ZINC000176237255 552137139 /nfs/dbraw/zinc/13/71/39/552137139.db2.gz XRQNTVMJWQDFII-UHFFFAOYSA-N 1 0 378.274 2.719 20 0 GFADRO CCc1c(C(=O)N(C)CC[NH+](C)C)cnn1-c1ccc(Br)cc1 ZINC000176384839 552140107 /nfs/dbraw/zinc/14/01/07/552140107.db2.gz XCKDSBAIIBTDRO-UHFFFAOYSA-N 1 0 379.302 2.831 20 0 GFADRO O=C(CCc1ccc(Br)cc1)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000176431556 552140408 /nfs/dbraw/zinc/14/04/08/552140408.db2.gz IDGDWTIUEURRGQ-INIZCTEOSA-N 1 0 395.341 2.999 20 0 GFADRO Cc1cc(S(=O)(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)sc1Br ZINC000176987870 552148915 /nfs/dbraw/zinc/14/89/15/552148915.db2.gz FGHMSNIUBJJQPB-MNOVXSKESA-N 1 0 381.361 2.970 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)c2cc(=O)[nH]c3c(Br)cccc23)C1 ZINC000177725328 552157733 /nfs/dbraw/zinc/15/77/33/552157733.db2.gz KLLARYLIULZDKS-VXGBXAGGSA-N 1 0 392.297 2.893 20 0 GFADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)NCCOc2ccc(Br)cc2)C1 ZINC000177866127 552160626 /nfs/dbraw/zinc/16/06/26/552160626.db2.gz WXMOPQOLCAJBEP-AWEZNQCLSA-N 1 0 384.318 2.811 20 0 GFADRO CCC(CC)[C@H](CNC(=O)Nc1cc(Br)cn(C)c1=O)[NH+](C)C ZINC000177969865 552161620 /nfs/dbraw/zinc/16/16/20/552161620.db2.gz CPEDRCLUKHHVQW-AWEZNQCLSA-N 1 0 387.322 2.636 20 0 GFADRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)Nc1cc(Br)cn(C)c1=O ZINC000177982147 552162304 /nfs/dbraw/zinc/16/23/04/552162304.db2.gz XCHGQLLRMHCOLF-ZDUSSCGKSA-N 1 0 385.306 2.534 20 0 GFADRO O=C(CSc1nc2ccccc2s1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000178070436 552163860 /nfs/dbraw/zinc/16/38/60/552163860.db2.gz ACOWYJRONRBPGC-AWEZNQCLSA-N 1 0 377.535 2.569 20 0 GFADRO COC(=O)c1ccc(Cl)cc1S(=O)(=O)NCCC[N@@H+]1CCCC[C@H]1C ZINC000178498655 552171218 /nfs/dbraw/zinc/17/12/18/552171218.db2.gz YDIAGXKRLRYZFK-CYBMUJFWSA-N 1 0 388.917 2.669 20 0 GFADRO COC(=O)c1ccc(Cl)cc1S(=O)(=O)NC[C@@H](C)[NH+]1CCC(C)CC1 ZINC000178526644 552171973 /nfs/dbraw/zinc/17/19/73/552171973.db2.gz ZCDDOTSJXYZMPH-CYBMUJFWSA-N 1 0 388.917 2.525 20 0 GFADRO O=C(NC[C@@H]1CCC[NH2+]1)[C@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000178776363 552174840 /nfs/dbraw/zinc/17/48/40/552174840.db2.gz DNEHGTZFTAHQSH-KBPBESRZSA-N 1 0 384.307 2.714 20 0 GFADRO CCOCCOc1ccc(Br)cc1/C=C/C(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000179092150 552183817 /nfs/dbraw/zinc/18/38/17/552183817.db2.gz ZYAZTPVNSOUTEH-RRGWEWPQSA-N 1 0 397.313 2.698 20 0 GFADRO CCOC(=O)CNC(=O)C1CC[NH+](CCSc2ccc(Cl)cc2)CC1 ZINC000179105084 552184531 /nfs/dbraw/zinc/18/45/31/552184531.db2.gz YJIVSONJJRRHNH-UHFFFAOYSA-N 1 0 384.929 2.823 20 0 GFADRO NC(=O)[C@@H](NCc1ccccc1-n1cccn1)c1cccc(Br)c1 ZINC000179220040 552187381 /nfs/dbraw/zinc/18/73/81/552187381.db2.gz JKAPBFPGELNJGS-KRWDZBQOSA-N 1 0 385.265 2.951 20 0 GFADRO CC(C)c1cc(Br)ccc1NC(=O)C(=O)NCC[NH+]1CCCC1 ZINC000179278550 552189099 /nfs/dbraw/zinc/18/90/99/552189099.db2.gz GXYRUTMSGXSTFQ-UHFFFAOYSA-N 1 0 382.302 2.723 20 0 GFADRO C[N@@H+]1CC[C@H](CNC(=O)NCCC[S@](C)=O)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000179353759 552190539 /nfs/dbraw/zinc/19/05/39/552190539.db2.gz GRVOLZPZEWMWCT-RMKYTRAYSA-N 1 0 389.924 2.540 20 0 GFADRO CC[C@H](CO)[NH+]1CCN(C(=O)CCCc2ccc(Br)s2)CC1 ZINC000179400186 552192262 /nfs/dbraw/zinc/19/22/62/552192262.db2.gz ZSUYYAIZAAOKMD-CYBMUJFWSA-N 1 0 389.359 2.748 20 0 GFADRO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]C[C@H](O)c2ccc(Cl)c(F)c2)cc1 ZINC000179502564 552195192 /nfs/dbraw/zinc/19/51/92/552195192.db2.gz DLDMPQLKULKWBI-DIFFPNOSSA-N 1 0 386.876 2.771 20 0 GFADRO O=C(NCCCC[N@H+]1CCC[C@H]1CO)c1ccc(C(F)(F)F)nc1Cl ZINC000179603313 552197823 /nfs/dbraw/zinc/19/78/23/552197823.db2.gz UJGUCXRQRGIINZ-NSHDSACASA-N 1 0 379.810 2.721 20 0 GFADRO C[C@H]1C[NH+](CCCCNC(=O)c2ccc(Br)cc2O)C[C@H](C)O1 ZINC000179761212 552202069 /nfs/dbraw/zinc/20/20/69/552202069.db2.gz DZPGXBISBNESBS-STQMWFEESA-N 1 0 385.302 2.774 20 0 GFADRO Cc1cc(C[N@@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)ccc1Br ZINC000179891586 552205998 /nfs/dbraw/zinc/20/59/98/552205998.db2.gz IHTYNMIRYWOIFW-MRXNPFEDSA-N 1 0 381.314 2.828 20 0 GFADRO COCCC[N@H+](C)CCNC(=O)c1ccn(-c2ccc(Cl)cc2Cl)n1 ZINC000180057879 552211457 /nfs/dbraw/zinc/21/14/57/552211457.db2.gz HBIYNWTVTLVKOV-UHFFFAOYSA-N 1 0 385.295 2.877 20 0 GFADRO O=C(C[C@H](O)c1cc(Cl)cc(Cl)c1)N1CCC[C@@H]1CN1CCOCC1 ZINC000180065109 552211698 /nfs/dbraw/zinc/21/16/98/552211698.db2.gz LBDGUEFZPVUIIF-SJORKVTESA-N 1 0 387.307 2.740 20 0 GFADRO COCCC[C@H]([NH2+]CCNC(=O)c1ccn[nH]1)c1ccc(Br)cc1 ZINC000180218911 552217936 /nfs/dbraw/zinc/21/79/36/552217936.db2.gz CNDBPZPTUSGILX-HNNXBMFYSA-N 1 0 395.301 2.660 20 0 GFADRO COc1ccc(C[NH2+]CCOc2ccc(NS(C)(=O)=O)cc2)cc1Cl ZINC000180351773 552223575 /nfs/dbraw/zinc/22/35/75/552223575.db2.gz XYOGGYWSYPAEME-UHFFFAOYSA-N 1 0 384.885 2.889 20 0 GFADRO C[C@@H]([NH2+]CCCN1CCOCC1)c1cc2c(cc1Br)OCCO2 ZINC000180478127 552227567 /nfs/dbraw/zinc/22/75/67/552227567.db2.gz YMONLTQSBPUALC-CYBMUJFWSA-N 1 0 385.302 2.593 20 0 GFADRO Cn1cc(Br)cc(NC(=O)N2CCC(CCC[NH+](C)C)CC2)c1=O ZINC000180558910 552229729 /nfs/dbraw/zinc/22/97/29/552229729.db2.gz XTUGURZHEZTXNY-UHFFFAOYSA-N 1 0 399.333 2.734 20 0 GFADRO NC(=O)NC(=O)OCCC[N@@H+]1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000180646876 552232178 /nfs/dbraw/zinc/23/21/78/552232178.db2.gz RFEJTNQCWNDTGW-SECBINFHSA-N 1 0 380.392 2.536 20 0 GFADRO Cc1nc(-c2cc3c(s2)CC[N@H+](CCC(=O)N2CCOCC2)C3)cs1 ZINC000180879526 552238868 /nfs/dbraw/zinc/23/88/68/552238868.db2.gz YNYXGAKLADNBKW-UHFFFAOYSA-N 1 0 377.535 2.787 20 0 GFADRO CC(C)N1CC[C@@H]([NH2+][C@H](C)CC(=O)Nc2cccc(Br)c2)C1=O ZINC000180905624 552239453 /nfs/dbraw/zinc/23/94/53/552239453.db2.gz IQLMQKLNDIMGBO-IUODEOHRSA-N 1 0 382.302 2.765 20 0 GFADRO CN(CCN(C)S(=O)(=O)c1ccc(C(C)(C)C)s1)C1CC[NH+](C)CC1 ZINC000181063328 552244990 /nfs/dbraw/zinc/24/49/90/552244990.db2.gz SECAZFAIAFAPBD-UHFFFAOYSA-N 1 0 387.615 2.692 20 0 GFADRO COc1ccc(Cl)cc1-c1nc(SCCCN2CC[NH+](C)CC2)n[nH]1 ZINC000181307899 552252957 /nfs/dbraw/zinc/25/29/57/552252957.db2.gz XTYHQPGBCZHLOP-UHFFFAOYSA-N 1 0 381.933 2.863 20 0 GFADRO C[C@@H]([NH2+]CCOc1ccc(Cl)cn1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000181324000 552253568 /nfs/dbraw/zinc/25/35/68/552253568.db2.gz JORGWDNOXHFJPS-CYBMUJFWSA-N 1 0 383.901 2.715 20 0 GFADRO C[C@H]([NH2+]CC(=O)Nc1cccc(I)c1)c1cccnc1 ZINC000181405936 552255731 /nfs/dbraw/zinc/25/57/31/552255731.db2.gz PNJWRYSBXNPJRL-NSHDSACASA-N 1 0 381.217 2.976 20 0 GFADRO CC(C)COC[C@@H](O)C[NH2+]C(C)(C)COc1ncccc1Br ZINC000181513580 552259503 /nfs/dbraw/zinc/25/95/03/552259503.db2.gz YUKRKUISHYBNDK-ZDUSSCGKSA-N 1 0 375.307 2.625 20 0 GFADRO O=S(=O)(NCCc1ccc(OCC[NH+]2CCCC2)cc1)c1cccs1 ZINC000181533144 552260213 /nfs/dbraw/zinc/26/02/13/552260213.db2.gz LRCPSVHCCLXMHO-UHFFFAOYSA-N 1 0 380.535 2.744 20 0 GFADRO C[C@H]([NH2+]CC1(CO)CCOCC1)c1ccc(I)cc1 ZINC000181567451 552261228 /nfs/dbraw/zinc/26/12/28/552261228.db2.gz VTKRNPGRZDKPDK-LBPRGKRZSA-N 1 0 375.250 2.731 20 0 GFADRO C[C@@H]([NH2+]C[C@H](O)CS(=O)(=O)c1cccs1)c1ccc(OC(F)F)cc1 ZINC000181635212 552262898 /nfs/dbraw/zinc/26/28/98/552262898.db2.gz UPVHBWCLZFUMRC-YPMHNXCESA-N 1 0 391.461 2.835 20 0 GFADRO C[C@@H]([NH2+]C[C@H]1CCN(S(C)(=O)=O)C1)c1ccc(F)cc1Br ZINC000181680625 552265310 /nfs/dbraw/zinc/26/53/10/552265310.db2.gz OFPZNVACIKNTBA-GHMZBOCLSA-N 1 0 379.295 2.520 20 0 GFADRO COc1cc([C@@H](C)[NH2+]C[C@H]2CCN(S(C)(=O)=O)C2)ccc1SC(F)F ZINC000181681792 552265563 /nfs/dbraw/zinc/26/55/63/552265563.db2.gz FRSAMRRBJTWLAX-VXGBXAGGSA-N 1 0 394.509 2.942 20 0 GFADRO CC(C)C(=O)NCCC[NH2+][C@@H](C)CC(=O)Nc1ccc(Br)cc1 ZINC000181753581 552267124 /nfs/dbraw/zinc/26/71/24/552267124.db2.gz BYQAFOGIPKAFMF-ZDUSSCGKSA-N 1 0 384.318 2.918 20 0 GFADRO CC[C@@H]([NH2+]CCS(=O)(=O)NC(C)C)c1cc(F)cc(Br)c1 ZINC000181925717 552270865 /nfs/dbraw/zinc/27/08/65/552270865.db2.gz WVUVLFNEYDTWIF-CQSZACIVSA-N 1 0 381.311 2.957 20 0 GFADRO NC(=O)C[C@H]([NH2+]Cc1cc(Br)cc2cccnc21)C1CCOCC1 ZINC000181967897 552271711 /nfs/dbraw/zinc/27/17/11/552271711.db2.gz DGZBGZLDXTUQBQ-INIZCTEOSA-N 1 0 392.297 2.758 20 0 GFADRO CC[C@@H]([NH2+]CC(=O)Nc1ccc(I)cc1)[C@@H]1CCCO1 ZINC000182351057 552281430 /nfs/dbraw/zinc/28/14/30/552281430.db2.gz UYVMOQZCNKQZBA-KGLIPLIRSA-N 1 0 388.249 2.777 20 0 GFADRO COC(=O)C1(C[NH2+][C@H](C(N)=O)c2ccc(Br)cc2)CCCCC1 ZINC000183168332 552302334 /nfs/dbraw/zinc/30/23/34/552302334.db2.gz XLOIXVYAEPNAHO-AWEZNQCLSA-N 1 0 383.286 2.689 20 0 GFADRO CS(=O)(=O)[C@H]1CCCC[C@@H]1[NH2+]CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000183235189 552303682 /nfs/dbraw/zinc/30/36/82/552303682.db2.gz GFWDTFFHSNAOJB-GJZGRUSLSA-N 1 0 383.901 2.878 20 0 GFADRO COC(=O)c1ccc(S(=O)(=O)NCC[C@@H](C)[NH+]2CCCCC2)cc1Cl ZINC000183288869 552304899 /nfs/dbraw/zinc/30/48/99/552304899.db2.gz RYDYHKYZNXFLCO-CYBMUJFWSA-N 1 0 388.917 2.669 20 0 GFADRO Cn1ccnc1[C@@H]([NH2+]C[C@H](O)COc1ccccc1Br)C1CC1 ZINC000183342844 552306879 /nfs/dbraw/zinc/30/68/79/552306879.db2.gz FROPOBMDWBQIDH-BBRMVZONSA-N 1 0 380.286 2.663 20 0 GFADRO COc1cc(/C=C/C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)cc(Br)c1O ZINC000183549317 552312727 /nfs/dbraw/zinc/31/27/27/552312727.db2.gz QOXSGASEJYLKKM-ISZGNANSSA-N 1 0 395.297 2.873 20 0 GFADRO CN(C)c1cc[nH+]cc1C(=O)N[C@@H]1CCN(c2ccccc2Br)C1 ZINC000183601762 552314440 /nfs/dbraw/zinc/31/44/40/552314440.db2.gz SWQWPHXGHVGTJK-CYBMUJFWSA-N 1 0 389.297 2.919 20 0 GFADRO C[C@@H]([NH2+]Cc1cn(-c2ccc(Cl)c(Cl)c2)nn1)[C@@H](C)N1CCOCC1 ZINC000183736544 552318073 /nfs/dbraw/zinc/31/80/73/552318073.db2.gz KWDAWZCWLMFFKS-CHWSQXEVSA-N 1 0 384.311 2.773 20 0 GFADRO O=S1(=O)CCCN1c1ccc(C[NH2+]Cc2cncc(Br)c2)cc1 ZINC000183768367 552319472 /nfs/dbraw/zinc/31/94/72/552319472.db2.gz RENSCWXPBKTEHR-UHFFFAOYSA-N 1 0 396.310 2.674 20 0 GFADRO Cc1ccc(NC(=O)N[C@@H](C)CC[NH+]2CCN(C)CC2)c(Br)c1 ZINC000183931813 552323546 /nfs/dbraw/zinc/32/35/46/552323546.db2.gz MWTUQEGPNVVOEI-AWEZNQCLSA-N 1 0 383.334 2.905 20 0 GFADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)c1c[nH]c2cccc(Br)c12 ZINC000184068512 552326786 /nfs/dbraw/zinc/32/67/86/552326786.db2.gz BMKNYSROWAONFG-ZDUSSCGKSA-N 1 0 393.329 2.686 20 0 GFADRO O[C@H](COc1ccc(Cl)cc1Cl)C[N@@H+]1CCOCC2(CCOCC2)C1 ZINC000184104590 552327622 /nfs/dbraw/zinc/32/76/22/552327622.db2.gz YAJDJLLKVDTKIL-HNNXBMFYSA-N 1 0 390.307 2.862 20 0 GFADRO COc1ccc(Br)c(C(=O)NC(C)(C)CC[NH+]2CCN(C)CC2)c1 ZINC000184175392 552329139 /nfs/dbraw/zinc/32/91/39/552329139.db2.gz NMIMRXRGANZVPG-UHFFFAOYSA-N 1 0 398.345 2.604 20 0 GFADRO COc1ccc(Br)cc1NC(=O)N[C@H](C)CC[NH+]1CCN(C)CC1 ZINC000184205287 552329904 /nfs/dbraw/zinc/32/99/04/552329904.db2.gz PGSBFAVPCJAKTG-CYBMUJFWSA-N 1 0 399.333 2.605 20 0 GFADRO Cc1c(Br)cccc1NC(=O)N[C@@H](C)CC[NH+]1CCN(C)CC1 ZINC000184266430 552331176 /nfs/dbraw/zinc/33/11/76/552331176.db2.gz PTJJJIYIMFLLOY-ZDUSSCGKSA-N 1 0 383.334 2.905 20 0 GFADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)[C@H](C)Oc1cccc(Cl)c1Cl ZINC000184376148 552333979 /nfs/dbraw/zinc/33/39/79/552333979.db2.gz BMRIMQWHDMLAIX-KGLIPLIRSA-N 1 0 388.339 2.903 20 0 GFADRO C[C@@H]1OCC[C@H]1S(=O)(=O)N(CC[NH+]1CCCC1)Cc1ccc(Cl)cc1 ZINC000184463162 552335641 /nfs/dbraw/zinc/33/56/41/552335641.db2.gz YLOVYCLMRYXVAA-MAUKXSAKSA-N 1 0 386.945 2.745 20 0 GFADRO C[C@H]1C[C@@H](N(C)S(=O)(=O)c2ccc(Br)cc2F)CC[N@@H+]1C ZINC000184916184 552347653 /nfs/dbraw/zinc/34/76/53/552347653.db2.gz RKDPMXZDOFXQPE-JQWIXIFHSA-N 1 0 379.295 2.691 20 0 GFADRO [NH3+][C@H]1CC[C@@H]2CN(C(=O)c3nn(-c4ccc(F)cc4)cc3Br)C[C@@H]12 ZINC000185061529 552352794 /nfs/dbraw/zinc/35/27/94/552352794.db2.gz AXMRSYMETNLBQE-YVLXSGLVSA-N 1 0 393.260 2.583 20 0 GFADRO Cc1ccc(S(=O)(=O)C[C@@H](C)[NH2+]CCN2CCc3sccc3C2)cc1 ZINC000185105616 552354041 /nfs/dbraw/zinc/35/40/41/552354041.db2.gz JRMYQBDOSHEGCI-MRXNPFEDSA-N 1 0 378.563 2.867 20 0 GFADRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)c3ccc(I)c(Cl)c3)C[C@@H]12 ZINC000185095610 552354105 /nfs/dbraw/zinc/35/41/05/552354105.db2.gz IUNBLQQAHKJOCR-OPQQBVKSSA-N 1 0 390.652 2.754 20 0 GFADRO CN(CC[N@H+](C)C1CC1)C(=O)N[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000185339405 552360777 /nfs/dbraw/zinc/36/07/77/552360777.db2.gz ATWOHVJKLMXTQW-HNNXBMFYSA-N 1 0 395.345 2.763 20 0 GFADRO Cc1cccc(NC(=O)C(=O)NC2CC[NH+](CC(C)C)CC2)c1Br ZINC000185498603 552364614 /nfs/dbraw/zinc/36/46/14/552364614.db2.gz VRBJQDHTQJDRFP-UHFFFAOYSA-N 1 0 396.329 2.933 20 0 GFADRO Cc1ccc(CCC(=O)NCCN2CCC([NH+](C)C)CC2)c(Br)c1 ZINC000185624670 552367415 /nfs/dbraw/zinc/36/74/15/552367415.db2.gz WXZIUHRCJWVBJK-UHFFFAOYSA-N 1 0 396.373 2.832 20 0 GFADRO O=C(CC[N@H+]1CCC[C@@H]1c1cc(F)cc(Br)c1)N1CCOCC1 ZINC000185641055 552368283 /nfs/dbraw/zinc/36/82/83/552368283.db2.gz VBOWZSOMLCBERC-MRXNPFEDSA-N 1 0 385.277 2.974 20 0 GFADRO COC(=O)CN1CCC([NH2+]Cc2cc3cc(Br)ccc3[nH]2)CC1 ZINC000185659118 552368822 /nfs/dbraw/zinc/36/88/22/552368822.db2.gz BKTCQIMKBUTVBG-UHFFFAOYSA-N 1 0 380.286 2.657 20 0 GFADRO NC(=O)[C@@H](Cc1ccc(Cl)cc1)[NH2+]Cc1cc(Cl)c2c(c1)OCCO2 ZINC000185888911 552372845 /nfs/dbraw/zinc/37/28/45/552372845.db2.gz ICEROZYZNXZOSP-OAHLLOKOSA-N 1 0 381.259 2.951 20 0 GFADRO CC[C@@H]([NH2+]CCCN1C(=O)NC(C)(C)C1=O)c1nc(C(F)(F)F)cs1 ZINC000185939888 552375087 /nfs/dbraw/zinc/37/50/87/552375087.db2.gz AQSHFWATEVKOHE-SECBINFHSA-N 1 0 378.420 2.923 20 0 GFADRO COC(=O)c1sccc1S(=O)(=O)N[C@@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000186584044 552391753 /nfs/dbraw/zinc/39/17/53/552391753.db2.gz IKEDHZJZAREFPO-SWLSCSKDSA-N 1 0 382.507 2.504 20 0 GFADRO Cc1c(C(=O)N(C)CC[N@H+](C)C2CC2)nnn1-c1cccc(Br)c1 ZINC000186737561 552396426 /nfs/dbraw/zinc/39/64/26/552396426.db2.gz BLSKUKYUBOELOK-UHFFFAOYSA-N 1 0 392.301 2.504 20 0 GFADRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)c1cc2ccc(Br)cc2[nH]1 ZINC000186904704 552401240 /nfs/dbraw/zinc/40/12/40/552401240.db2.gz OJRPLQVJPVPDGG-GFCCVEGCSA-N 1 0 394.313 2.848 20 0 GFADRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)COc1cc(Cl)ccc1Cl ZINC000186948413 552402717 /nfs/dbraw/zinc/40/27/17/552402717.db2.gz XLXWXPHGOJUPIH-GFCCVEGCSA-N 1 0 375.296 2.676 20 0 GFADRO C[C@H]1CN(C(=O)Cc2csc(-c3ccccc3Cl)n2)CCN1CCO ZINC000187293196 552411404 /nfs/dbraw/zinc/41/14/04/552411404.db2.gz DPSRWNLZNMBZMM-ZDUSSCGKSA-N 1 0 379.913 2.531 20 0 GFADRO C[C@@H]1CC[N@H+](CCC(=O)Nc2ccc(Br)cc2F)[C@H](C(N)=O)C1 ZINC000187414347 552415064 /nfs/dbraw/zinc/41/50/64/552415064.db2.gz CYZGBYPPBUGWAG-YGRLFVJLSA-N 1 0 386.265 2.503 20 0 GFADRO CC[C@H]([NH2+]C[C@@H](O)c1ccc(F)cc1Cl)c1cccc(S(N)(=O)=O)c1 ZINC000187427383 552415405 /nfs/dbraw/zinc/41/54/05/552415405.db2.gz VMVDCAIULHCWEH-DLBZAZTESA-N 1 0 386.876 2.901 20 0 GFADRO Cc1ccc(Br)cc1CNC(=O)NCC1([NH+](C)C)CCOCC1 ZINC000187555106 552418694 /nfs/dbraw/zinc/41/86/94/552418694.db2.gz HRGCRJUMONQEQD-UHFFFAOYSA-N 1 0 384.318 2.668 20 0 GFADRO COc1cc(Br)ccc1C[NH2+][C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000187574315 552419541 /nfs/dbraw/zinc/41/95/41/552419541.db2.gz WSUNLDBCYBFRHO-ZFWWWQNUSA-N 1 0 376.316 2.903 20 0 GFADRO CCC[C@@H]([NH2+]Cc1ccccc1S(=O)(=O)N(C)CCO)c1ccsc1 ZINC000187783772 552424361 /nfs/dbraw/zinc/42/43/61/552424361.db2.gz LEEWSCKSQUOWKM-QGZVFWFLSA-N 1 0 382.551 2.992 20 0 GFADRO COc1ccc2c(c1)[C@H]([NH2+]CC1CCN(S(C)(=O)=O)CC1)CCCS2 ZINC000187906694 552427920 /nfs/dbraw/zinc/42/79/20/552427920.db2.gz FQCXQYZBPQKXBK-QGZVFWFLSA-N 1 0 384.567 2.883 20 0 GFADRO Cc1cc(Br)cc(NC(=O)C(=O)NCC[N@H+]2CCC[C@@H](C)C2)c1 ZINC000188058527 552433099 /nfs/dbraw/zinc/43/30/99/552433099.db2.gz WNZSOHSIYGVOID-GFCCVEGCSA-N 1 0 382.302 2.544 20 0 GFADRO Cc1cc(Br)cc(NC(=O)C(=O)N[C@H](C)C[NH+]2CCCCC2)c1 ZINC000188058744 552433469 /nfs/dbraw/zinc/43/34/69/552433469.db2.gz HUMRRIMQZBVWGG-CYBMUJFWSA-N 1 0 382.302 2.687 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)NC[C@@H](C)[N@H+](C)C2CC2)cc1Br ZINC000188099560 552434965 /nfs/dbraw/zinc/43/49/65/552434965.db2.gz APQXHNKIQJDZKB-GFCCVEGCSA-N 1 0 382.302 2.603 20 0 GFADRO CC[NH+](CC)C[C@H]1CCN(C(=O)C(=O)Nc2cc(C)cc(Br)c2)C1 ZINC000188111642 552435532 /nfs/dbraw/zinc/43/55/32/552435532.db2.gz RCVDUGQSQZVZSH-CQSZACIVSA-N 1 0 396.329 2.886 20 0 GFADRO CCN(CCC[NH2+][C@@H](C)Cc1ccc(Br)cc1)S(C)(=O)=O ZINC000188135261 552436612 /nfs/dbraw/zinc/43/66/12/552436612.db2.gz GKECYPZVYAESHI-ZDUSSCGKSA-N 1 0 377.348 2.641 20 0 GFADRO CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccc(Br)o1 ZINC000188133140 552436621 /nfs/dbraw/zinc/43/66/21/552436621.db2.gz IQWQIXWEYYCGNT-GOSISDBHSA-N 1 0 393.281 2.751 20 0 GFADRO Cc1cc(S(=O)(=O)N2CCCC[C@@H](N3CC[NH+](C)CC3)C2)sc1Cl ZINC000188146976 552437097 /nfs/dbraw/zinc/43/70/97/552437097.db2.gz OYBHHCNHYPICRX-CQSZACIVSA-N 1 0 391.990 2.501 20 0 GFADRO Cc1ccc(NC(=O)C(=O)N(C)CC2([NH+](C)C)CCC2)cc1Br ZINC000188220702 552439827 /nfs/dbraw/zinc/43/98/27/552439827.db2.gz MNCFQOAYVCJEIM-UHFFFAOYSA-N 1 0 382.302 2.639 20 0 GFADRO COCCC(=O)N1CCC([NH2+][C@H](C)Cc2ccc(Br)cc2)CC1 ZINC000188310794 552441781 /nfs/dbraw/zinc/44/17/81/552441781.db2.gz QBWSLIQALMSGIU-CQSZACIVSA-N 1 0 383.330 2.997 20 0 GFADRO C[C@H]1CN(C(=O)c2cc(Cl)ccc2OC(F)F)CC[N@@H+]1CC(C)(C)O ZINC000188656925 552451566 /nfs/dbraw/zinc/45/15/66/552451566.db2.gz RKTHLSCQWJVXFV-NSHDSACASA-N 1 0 376.831 2.859 20 0 GFADRO CC[C@H](C)NC(=O)CC[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000188700212 552452499 /nfs/dbraw/zinc/45/24/99/552452499.db2.gz RDAVAHMZXBYXEG-AWEZNQCLSA-N 1 0 398.345 2.680 20 0 GFADRO C[C@@H]1CN(C(=O)CCOc2cccc(Br)c2)CC[N@@H+]1CC(C)(C)O ZINC000188731386 552453137 /nfs/dbraw/zinc/45/31/37/552453137.db2.gz AMZZJLAAGDSYCG-CQSZACIVSA-N 1 0 399.329 2.522 20 0 GFADRO Brc1ccc(C[NH2+]CCCO[C@@H]2CCOC2)c(N2CCOCC2)c1 ZINC000188751314 552454659 /nfs/dbraw/zinc/45/46/59/552454659.db2.gz WYPCTERJYOMIRU-QGZVFWFLSA-N 1 0 399.329 2.571 20 0 GFADRO COc1cc(C[NH2+]C[C@@H]2CC[C@H](O)C2)cc(I)c1OC ZINC000188849371 552457055 /nfs/dbraw/zinc/45/70/55/552457055.db2.gz YNKFNBJCZBCQNF-PWSUYJOCSA-N 1 0 391.249 2.559 20 0 GFADRO CCN(CCC[NH+](C)C)C(=O)c1nnn(-c2cccc(Br)c2)c1C ZINC000188954682 552459131 /nfs/dbraw/zinc/45/91/31/552459131.db2.gz CFWUZQJGGJECGS-UHFFFAOYSA-N 1 0 394.317 2.752 20 0 GFADRO Fc1cc(Br)cc(OCC[N@@H+]2CCC[C@H]2CN2CCOCC2)c1 ZINC000189041461 552461277 /nfs/dbraw/zinc/46/12/77/552461277.db2.gz KYCNQNTYEXZNIG-INIZCTEOSA-N 1 0 387.293 2.764 20 0 GFADRO CCS[C@@H]1CCCC[C@H]1[NH2+]CCOc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000189484005 552472711 /nfs/dbraw/zinc/47/27/11/552472711.db2.gz ZOJDBJSFOZGXAI-QZTJIDSGSA-N 1 0 386.583 2.970 20 0 GFADRO CC[NH+]1CCN([C@@H](C)CNC(=O)c2c[nH]nc2-c2ccc(Cl)s2)CC1 ZINC000189486576 552473087 /nfs/dbraw/zinc/47/30/87/552473087.db2.gz SFCJGJZVECYDSG-LBPRGKRZSA-N 1 0 381.933 2.547 20 0 GFADRO CC[N@H+](C[C@H](O)COc1ccccc1C(F)(F)F)C[C@H](O)C(F)(F)F ZINC000189516114 552473739 /nfs/dbraw/zinc/47/37/39/552473739.db2.gz YUILSWRUCIHYRC-GWCFXTLKSA-N 1 0 375.309 2.690 20 0 GFADRO Cc1c(Br)cccc1CC(=O)NCCCC[N@@H+]1CCC[C@H]1CO ZINC000189576674 552475319 /nfs/dbraw/zinc/47/53/19/552475319.db2.gz PMFMXRPRPRZQPB-INIZCTEOSA-N 1 0 383.330 2.653 20 0 GFADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C2(c3ccccc3Br)CC2)C1 ZINC000189622761 552476502 /nfs/dbraw/zinc/47/65/02/552476502.db2.gz HNRVPDSJAXDJKW-HNNXBMFYSA-N 1 0 395.341 2.954 20 0 GFADRO Cc1ccc(NC(=O)[C@H](C)[N@H+](C)CC2(O)CCOCC2)c(Br)c1 ZINC000189747864 552478819 /nfs/dbraw/zinc/47/88/19/552478819.db2.gz HJWAYSSOGKNILI-ZDUSSCGKSA-N 1 0 385.302 2.558 20 0 GFADRO O=C(NCC[NH+]1CCCC1)C(=O)Nc1cccnc1-c1ccc(Cl)s1 ZINC000189942067 552483228 /nfs/dbraw/zinc/48/32/28/552483228.db2.gz OTABWAUNGAEWDE-UHFFFAOYSA-N 1 0 378.885 2.614 20 0 GFADRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)Nc1cc(Br)ccc1F ZINC000190189818 552489570 /nfs/dbraw/zinc/48/95/70/552489570.db2.gz ZLONNWYIXBHUKV-NSHDSACASA-N 1 0 388.281 2.897 20 0 GFADRO Cc1cc(NC(=O)C(=O)NCC[N@H+]2CCC[C@@H](C)C2)cc(C)c1Br ZINC000190310719 552492493 /nfs/dbraw/zinc/49/24/93/552492493.db2.gz SRWHMGJCLVWKLF-GFCCVEGCSA-N 1 0 396.329 2.853 20 0 GFADRO Cc1cc(NC(=O)C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)cc(C)c1Br ZINC000190320317 552493002 /nfs/dbraw/zinc/49/30/02/552493002.db2.gz UGYPHZSKJKPIQX-ZDUSSCGKSA-N 1 0 394.313 2.605 20 0 GFADRO Cc1cc(Br)cc(NC(=O)C(=O)N(CC[NH+](C)C)CC(C)C)c1 ZINC000190350539 552493218 /nfs/dbraw/zinc/49/32/18/552493218.db2.gz PVXZKLHFLCCZIN-UHFFFAOYSA-N 1 0 384.318 2.742 20 0 GFADRO C[C@H](CNC(=O)C(=O)Nc1cc(Cl)c(F)c(Cl)c1)C[NH+]1CCCC1 ZINC000190369430 552494506 /nfs/dbraw/zinc/49/45/06/552494506.db2.gz MOTVYTKRTABQTL-SNVBAGLBSA-N 1 0 376.259 2.919 20 0 GFADRO CCS(=O)(=O)N1CC(C[NH2+][C@@H](C)c2ccc(F)cc2Br)C1 ZINC000190683590 552505905 /nfs/dbraw/zinc/50/59/05/552505905.db2.gz XIWQOXZBSYYHQL-JTQLQIEISA-N 1 0 379.295 2.520 20 0 GFADRO Cc1cc(F)c(Br)cc1NC(=O)NCC1CC[NH+](CCO)CC1 ZINC000190881680 552512400 /nfs/dbraw/zinc/51/24/00/552512400.db2.gz XUROBWFUFCPOOU-UHFFFAOYSA-N 1 0 388.281 2.722 20 0 GFADRO CC[NH+](CC)CCN(C(=O)C1CN(C(C)=O)C1)c1cccc(Br)c1 ZINC000191027742 552516875 /nfs/dbraw/zinc/51/68/75/552516875.db2.gz NQTNJHFXRRSUEO-UHFFFAOYSA-N 1 0 396.329 2.602 20 0 GFADRO C[C@@H]1CC(O)C[C@@H](C)[NH+]1CC(=O)N(C)Cc1cc(Br)cs1 ZINC000191197839 552521114 /nfs/dbraw/zinc/52/11/14/552521114.db2.gz LFCYHVKVSZUMED-GHMZBOCLSA-N 1 0 375.332 2.703 20 0 GFADRO COc1cc(Cl)c(Cl)cc1NC(=O)N1CCN(C[C@@H](C)O)[C@H](C)C1 ZINC000191272824 552523272 /nfs/dbraw/zinc/52/32/72/552523272.db2.gz PEIFKMMZXRMYFC-GHMZBOCLSA-N 1 0 376.284 2.921 20 0 GFADRO CS(=O)(=O)N1CCC([NH2+]Cc2cc(Br)c(Cl)s2)CC1 ZINC000191692111 552534709 /nfs/dbraw/zinc/53/47/09/552534709.db2.gz LAKOQZBEKXEQOQ-UHFFFAOYSA-N 1 0 387.752 2.678 20 0 GFADRO Cc1csc(C(=O)N(C)[C@H]2CCC[N@H+](C)C2)c1I ZINC000191824292 552539564 /nfs/dbraw/zinc/53/95/64/552539564.db2.gz WZGDTEAFCYKMRV-JTQLQIEISA-N 1 0 378.279 2.827 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)Cc2ccc(I)cc2)C1 ZINC000192053766 552547857 /nfs/dbraw/zinc/54/78/57/552547857.db2.gz CKYXKGVXVISGIO-HUUCEWRRSA-N 1 0 386.277 2.823 20 0 GFADRO O=S(=O)(c1ccc(Cl)c(Br)c1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000192206598 552555808 /nfs/dbraw/zinc/55/58/08/552555808.db2.gz JQIKUNRRAJXZLV-LLVKDONJSA-N 1 0 393.734 2.961 20 0 GFADRO C[NH+](C)C[C@H]1CCN(S(=O)(=O)c2ccc(Cl)c(Br)c2)C1 ZINC000192208591 552556400 /nfs/dbraw/zinc/55/64/00/552556400.db2.gz LSYIBGASBDDYAX-SNVBAGLBSA-N 1 0 381.723 2.675 20 0 GFADRO COC(=O)[C@@H](C)N(CC(=O)N(C)Cc1ccccc1Br)C1CCC1 ZINC000192382530 552561547 /nfs/dbraw/zinc/56/15/47/552561547.db2.gz JMUCQICPHFGGKG-CYBMUJFWSA-N 1 0 397.313 2.824 20 0 GFADRO Cc1cc(NC(=O)N[C@H](C)CN2CC[NH+](C)CC2)cc(C)c1Br ZINC000192417961 552562473 /nfs/dbraw/zinc/56/24/73/552562473.db2.gz QPJPLCVDEHYWPS-CQSZACIVSA-N 1 0 383.334 2.823 20 0 GFADRO Cc1cc(NC(=O)N2CC[N@@H+](C[C@@H](C)O)[C@@H](C)C2)cc(C)c1Br ZINC000192419009 552562480 /nfs/dbraw/zinc/56/24/80/552562480.db2.gz ZTDBDRGIOFPHRR-UONOGXRCSA-N 1 0 384.318 2.985 20 0 GFADRO CC[NH+]1CCN(CCNC(=O)Nc2ccc(Br)cc2Cl)CC1 ZINC000192647438 552568690 /nfs/dbraw/zinc/56/86/90/552568690.db2.gz SEUQOWARDWFSKX-UHFFFAOYSA-N 1 0 389.725 2.862 20 0 GFADRO COC(=O)[C@@](C)(NCCN1CCOC[C@H]1C)c1ccc(Cl)c(Cl)c1 ZINC000192806906 552973799 /nfs/dbraw/zinc/97/37/99/552973799.db2.gz UOJCTCAUQHIHAN-PXAZEXFGSA-N 1 0 375.296 2.692 20 0 GFADRO C[N@@H+]1C[C@@H]2CN(S(=O)(=O)c3cc(Cl)ccc3OCC3CCC3)C[C@@H]2C1 ZINC000192916531 552977751 /nfs/dbraw/zinc/97/77/51/552977751.db2.gz CIDQLJQWMWNDAQ-GASCZTMLSA-N 1 0 384.929 2.701 20 0 GFADRO O=C(NCCc1cc(Br)ccc1F)[C@@H]1COCCN1C1CCCC1 ZINC000192915767 552978075 /nfs/dbraw/zinc/97/80/75/552978075.db2.gz FJSJHVFHUOHIOC-KRWDZBQOSA-N 1 0 399.304 2.890 20 0 GFADRO CCCN([C@H]1CC[NH2+]C1)S(=O)(=O)c1cc(Cl)ccc1O[C@@H](C)COC ZINC000193264919 552988361 /nfs/dbraw/zinc/98/83/61/552988361.db2.gz LUTRCJHUIOGNIU-ZFWWWQNUSA-N 1 0 390.933 2.516 20 0 GFADRO [NH3+]C[C@H](NS(=O)(=O)c1ccc(Br)c(Cl)c1Cl)C1CC1 ZINC000193294316 552989336 /nfs/dbraw/zinc/98/93/36/552989336.db2.gz DIGLQXNJPXOFLO-QMMMGPOBSA-N 1 0 388.114 2.772 20 0 GFADRO COC[C@H]([NH2+]CCNS(=O)(=O)c1ccc(C)s1)c1ccc(Cl)cc1 ZINC000194118636 553012306 /nfs/dbraw/zinc/01/23/06/553012306.db2.gz DHGOJDRGQDFASH-HNNXBMFYSA-N 1 0 388.942 2.966 20 0 GFADRO CCOc1cc(Br)c(CC(=O)NC[C@H]2CCC[N@@H+]2C)cc1OCC ZINC000194724420 553027815 /nfs/dbraw/zinc/02/78/15/553027815.db2.gz GLQXBUIJALTZLX-CQSZACIVSA-N 1 0 399.329 2.999 20 0 GFADRO CC(C)[C@@H](CNC(=O)NCc1ccccc1Br)[NH+]1CCN(C)CC1 ZINC000195166718 553040423 /nfs/dbraw/zinc/04/04/23/553040423.db2.gz NSUQGUDOTFWIKT-QGZVFWFLSA-N 1 0 397.361 2.520 20 0 GFADRO O=S(=O)(CCc1cccs1)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000195347057 553045981 /nfs/dbraw/zinc/04/59/81/553045981.db2.gz NPCOEFRUDMUMMT-UHFFFAOYSA-N 1 0 378.563 2.917 20 0 GFADRO CCOC1CC(C[NH2+]Cc2cc(O)ccc2Br)(N2CCOCC2)C1 ZINC000195460251 553049315 /nfs/dbraw/zinc/04/93/15/553049315.db2.gz UVABGDZXSZKWRM-UHFFFAOYSA-N 1 0 399.329 2.514 20 0 GFADRO C[NH2+]C[C@H]1CCCN(C(=O)c2ccc(F)cc2I)C1 ZINC000224004947 553057465 /nfs/dbraw/zinc/05/74/65/553057465.db2.gz IFPRERSTVOELDS-SNVBAGLBSA-N 1 0 376.213 2.502 20 0 GFADRO C[C@@H]1CN(C(=O)c2ccc(I)c(Cl)c2)CC[C@H]1[NH3+] ZINC000226264503 553061573 /nfs/dbraw/zinc/06/15/73/553061573.db2.gz LIHJAZOTQGTFPL-PRHODGIISA-N 1 0 378.641 2.754 20 0 GFADRO OCC1([NH2+]Cc2ccc(Br)c(Br)c2)CCOCC1 ZINC000229585903 553064572 /nfs/dbraw/zinc/06/45/72/553064572.db2.gz UYNYQORQVMTELA-UHFFFAOYSA-N 1 0 379.092 2.843 20 0 GFADRO O=C([C@@H]1CC12CC[NH2+]CC2)N1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000236617485 553069896 /nfs/dbraw/zinc/06/98/96/553069896.db2.gz XLGDENHNGXENCS-HOTGVXAUSA-N 1 0 379.298 2.739 20 0 GFADRO O=C(NC1(Cc2ccc(Br)cc2)CCCCC1)[C@@H]1C[NH2+]CCO1 ZINC000236684256 553070565 /nfs/dbraw/zinc/07/05/65/553070565.db2.gz QCUANSNRNRNTQG-INIZCTEOSA-N 1 0 381.314 2.799 20 0 GFADRO CCCC[C@@H](C[NH3+])NC(=O)c1cc(S(=O)(=O)N(C)C(C)C)ccc1Cl ZINC000236865594 553072033 /nfs/dbraw/zinc/07/20/33/553072033.db2.gz CHFVLCNODRKYFS-ZDUSSCGKSA-N 1 0 389.949 2.616 20 0 GFADRO CC(=O)N[C@H](CC(=O)N[C@@H](C[NH3+])CC(C)C)c1ccc(Br)cc1 ZINC000236846824 553072497 /nfs/dbraw/zinc/07/24/97/553072497.db2.gz QPOBPARSXAWXRQ-HZPDHXFCSA-N 1 0 384.318 2.506 20 0 GFADRO CCCC[C@H](C[NH3+])NC(=O)[C@@H]1CCCN1C(=O)c1ccc(Br)cc1 ZINC000236906816 553072972 /nfs/dbraw/zinc/07/29/72/553072972.db2.gz BLZLHPSIKRXKCZ-CVEARBPZSA-N 1 0 396.329 2.687 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000237094488 553074190 /nfs/dbraw/zinc/07/41/90/553074190.db2.gz YQTUIFQKIWVKMA-JSGCOSHPSA-N 1 0 382.302 2.672 20 0 GFADRO CN(C(=O)CCC[S@@](=O)c1ccc(Br)cc1)C1CC[NH2+]CC1 ZINC000237067241 553074249 /nfs/dbraw/zinc/07/42/49/553074249.db2.gz KSAUYLSDLXFSLD-JOCHJYFZSA-N 1 0 387.343 2.547 20 0 GFADRO COCC[C@@H](Cc1cccc(Br)c1)C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000237104666 553074813 /nfs/dbraw/zinc/07/48/13/553074813.db2.gz CYVCYGHNSSUBMN-HOTGVXAUSA-N 1 0 383.330 2.842 20 0 GFADRO CN(CC(=O)Nc1ccc(Br)cn1)C(=O)[C@H]1CCCCCC[C@H]1[NH3+] ZINC000237097170 553074881 /nfs/dbraw/zinc/07/48/81/553074881.db2.gz HCCRYKWDUNRUGN-UONOGXRCSA-N 1 0 397.317 2.539 20 0 GFADRO COCCN1CCC([NH2+][C@H](C)CC(=O)Nc2ccc(Br)cc2)CC1 ZINC000237111750 553074885 /nfs/dbraw/zinc/07/48/85/553074885.db2.gz PBLDDNRMRXSKKB-CQSZACIVSA-N 1 0 398.345 2.867 20 0 GFADRO C[NH2+]C[C@H](C)CNC(=O)CCCCc1ccc(I)cc1 ZINC000237104135 553074996 /nfs/dbraw/zinc/07/49/96/553074996.db2.gz SBRJBDIZXCDLFO-ZDUSSCGKSA-N 1 0 388.293 2.976 20 0 GFADRO C[NH2+]Cc1cccc(NC(=O)[C@H](C)NC(=O)c2ccc(Br)s2)c1 ZINC000237228939 553075891 /nfs/dbraw/zinc/07/58/91/553075891.db2.gz PQSBDYIVIXRFFC-JTQLQIEISA-N 1 0 396.310 2.987 20 0 GFADRO COC(=O)C[C@H](NC(=O)[C@H]1CC12CC[NH2+]CC2)c1ccc(Br)cc1 ZINC000237221358 553075943 /nfs/dbraw/zinc/07/59/43/553075943.db2.gz HXHYZQWKOLBUKO-CABCVRRESA-N 1 0 395.297 2.559 20 0 GFADRO COC(=O)C[C@@H](NC(=O)[C@@H]1CC12CC[NH2+]CC2)c1cccc(Br)c1 ZINC000237209932 553076038 /nfs/dbraw/zinc/07/60/38/553076038.db2.gz OTWCXPQDFXSGNX-LSDHHAIUSA-N 1 0 395.297 2.559 20 0 GFADRO COc1cc(Br)c(CNc2cnn(CC[NH+](C)C)c2)cc1OC ZINC000237196381 553076043 /nfs/dbraw/zinc/07/60/43/553076043.db2.gz NWRUEMYGNWPDMC-UHFFFAOYSA-N 1 0 383.290 2.837 20 0 GFADRO COC(=O)C[C@H](NC(=O)[C@@H]1CCC[C@@H]([NH3+])C1)c1ccc(Br)cc1 ZINC000237220238 553076115 /nfs/dbraw/zinc/07/61/15/553076115.db2.gz DXTCYGXLLNYFEV-YUELXQCFSA-N 1 0 383.286 2.687 20 0 GFADRO COC(=O)C[C@H](NC(=O)c1ccc(C[NH3+])o1)c1ccc(Br)cc1 ZINC000237222295 553076163 /nfs/dbraw/zinc/07/61/63/553076163.db2.gz ATHFEWOHUPTATI-ZDUSSCGKSA-N 1 0 381.226 2.535 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)c2ccc(I)c(F)c2)C1 ZINC000237323866 553076410 /nfs/dbraw/zinc/07/64/10/553076410.db2.gz CUFPEJSFNQIPBH-KOLCDFICSA-N 1 0 376.213 2.630 20 0 GFADRO CSCC[C@H]([NH3+])C(=O)Nc1nc2c(s1)CN(Cc1ccccc1)CC2 ZINC000237337226 553077305 /nfs/dbraw/zinc/07/73/05/553077305.db2.gz PDFKFEXCYHUHEJ-AWEZNQCLSA-N 1 0 376.551 2.720 20 0 GFADRO Cc1cc(NC(=O)CNC(=O)C[C@H](C)[C@@H]2CCC[NH2+]C2)ccc1Br ZINC000237404274 553077660 /nfs/dbraw/zinc/07/76/60/553077660.db2.gz WAHVMJYNEPQYET-GXTWGEPZSA-N 1 0 396.329 2.838 20 0 GFADRO C[C@@H]1C[NH2+]CCN1C(=O)Cc1csc(-c2cc(Br)cs2)n1 ZINC000237451032 553077707 /nfs/dbraw/zinc/07/77/07/553077707.db2.gz OVCZRJXEARXLAG-SECBINFHSA-N 1 0 386.340 2.997 20 0 GFADRO C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)[C@@H]2CCC[C@@H]2[NH3+])CC1 ZINC000237495316 553078051 /nfs/dbraw/zinc/07/80/51/553078051.db2.gz AWUROUWKXNTKIL-XKQJLSEDSA-N 1 0 380.330 2.782 20 0 GFADRO Cc1c(C(=O)N2CCCC[C@H]2[C@H](C)[NH3+])nnn1-c1cccc(Br)c1 ZINC000237454087 553078062 /nfs/dbraw/zinc/07/80/62/553078062.db2.gz UGYNUAVHMFCRLE-NHYWBVRUSA-N 1 0 392.301 2.680 20 0 GFADRO C[C@H](Oc1ccccc1Br)C(=O)N1CCC(OCCC[NH3+])CC1 ZINC000237675478 553080334 /nfs/dbraw/zinc/08/03/34/553080334.db2.gz IDOQVTGUFYJBSY-ZDUSSCGKSA-N 1 0 385.302 2.573 20 0 GFADRO Cc1nn(-c2ccc(C(=O)NC[C@H]3CCC[NH2+]C3)cc2)c(C)c1Br ZINC000237666199 553080734 /nfs/dbraw/zinc/08/07/34/553080734.db2.gz VKRIRLYBOAEGNZ-AWEZNQCLSA-N 1 0 391.313 2.981 20 0 GFADRO [NH3+]C[C@H]1CCC[C@H]1NC(=O)c1nn(-c2ccc(F)cc2)cc1Br ZINC000237845767 553082827 /nfs/dbraw/zinc/08/28/27/553082827.db2.gz RHWKQWBKGOVLIO-QMTHXVAHSA-N 1 0 381.249 2.631 20 0 GFADRO Cc1c(C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])nnn1-c1cccc(Br)c1 ZINC000237827505 553082835 /nfs/dbraw/zinc/08/28/35/553082835.db2.gz RBTMKFMFJGJCSM-IUODEOHRSA-N 1 0 392.301 2.586 20 0 GFADRO Cc1c(C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])nnn1-c1cccc(Br)c1 ZINC000237828564 553082856 /nfs/dbraw/zinc/08/28/56/553082856.db2.gz RBTMKFMFJGJCSM-SWLSCSKDSA-N 1 0 392.301 2.586 20 0 GFADRO [NH3+]C[C@H]1CCCC[C@H]1NC(=O)c1ccc(I)c(F)c1 ZINC000238016298 553085319 /nfs/dbraw/zinc/08/53/19/553085319.db2.gz NDHWIVJFOCVFER-ZWNOBZJWSA-N 1 0 376.213 2.678 20 0 GFADRO [NH3+][C@H]1CCC[C@@H](C(=O)N2CCN(C(=O)c3cccc(Cl)c3Cl)CC2)C1 ZINC000238008009 553085324 /nfs/dbraw/zinc/08/53/24/553085324.db2.gz LBBNZUURMWMEJL-OLZOCXBDSA-N 1 0 384.307 2.795 20 0 GFADRO [NH3+]C[C@@H](NC(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1)C1CC1 ZINC000238077279 553085705 /nfs/dbraw/zinc/08/57/05/553085705.db2.gz COQIQJZZZVEWEQ-CZUORRHYSA-N 1 0 384.307 2.699 20 0 GFADRO O[C@H](C[NH2+]Cc1ccc(F)cc1Br)COc1ccc2c(c1)OCO2 ZINC000238138197 553086337 /nfs/dbraw/zinc/08/63/37/553086337.db2.gz VCPKOAYXNNQJDY-CYBMUJFWSA-N 1 0 398.228 2.846 20 0 GFADRO C[C@H](NC(=O)CN(C)[C@@H]1CCCC[C@H]1S(C)(=O)=O)c1ccccc1Cl ZINC000245421817 553090274 /nfs/dbraw/zinc/09/02/74/553090274.db2.gz IEGXTGVLPGFIAG-IAOVAPTHSA-N 1 0 386.945 2.805 20 0 GFADRO CC[N@H+](C)C[C@H]1CCN(CC(=O)N[C@H](C)c2ccc(Br)cc2)C1 ZINC000245466749 553091030 /nfs/dbraw/zinc/09/10/30/553091030.db2.gz ZENFCBRHLGVAND-HUUCEWRRSA-N 1 0 382.346 2.900 20 0 GFADRO COc1ccc(CNC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1Br ZINC000245585388 553093608 /nfs/dbraw/zinc/09/36/08/553093608.db2.gz AGIPQFWLHMXUID-KGLIPLIRSA-N 1 0 382.302 2.836 20 0 GFADRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)NCCNc2ncc(Cl)cc2Cl)C1 ZINC000246019362 553101254 /nfs/dbraw/zinc/10/12/54/553101254.db2.gz USZXFFYCXWKBTN-SWLSCSKDSA-N 1 0 386.327 2.926 20 0 GFADRO C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](c1ccc(Br)cc1)N1CCCC1 ZINC000246096096 553102390 /nfs/dbraw/zinc/10/23/90/553102390.db2.gz LTGCFPIGOQHAPS-SJORKVTESA-N 1 0 380.330 2.796 20 0 GFADRO CN1CC[C@H](NS(=O)(=O)C[C@H]2CCCCO2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000246188444 553104061 /nfs/dbraw/zinc/10/40/61/553104061.db2.gz DISQBJAILBMZAD-XOKHGSTOSA-N 1 0 390.908 2.713 20 0 GFADRO CCNC(=O)NC(=O)[C@H](C)N1CCC[C@H]1c1cc(Br)ccc1OC ZINC000246244744 553105174 /nfs/dbraw/zinc/10/51/74/553105174.db2.gz DRARHAWFSLXOFL-FZMZJTMJSA-N 1 0 398.301 2.829 20 0 GFADRO COc1ccc([C@H](C)[C@H](C)[NH2+]C[C@@H](O)CS(=O)(=O)c2cccs2)cc1 ZINC000246281120 553105759 /nfs/dbraw/zinc/10/57/59/553105759.db2.gz BOCGGJLNQKMBLR-IJEWVQPXSA-N 1 0 383.535 2.673 20 0 GFADRO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)[C@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1 ZINC000246278048 553106021 /nfs/dbraw/zinc/10/60/21/553106021.db2.gz MHHMBTUAVAMEOR-APHBMKBZSA-N 1 0 384.307 2.842 20 0 GFADRO CC[C@@H]1CN(C(=O)[C@@H](C)Oc2ccccc2Br)CC[N@@H+]1C[C@H](C)O ZINC000246684286 553111376 /nfs/dbraw/zinc/11/13/76/553111376.db2.gz BCILWEOTGWJLLN-RRFJBIMHSA-N 1 0 399.329 2.520 20 0 GFADRO O=C(N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO)c1coc(Br)c1 ZINC000246804804 553113257 /nfs/dbraw/zinc/11/32/57/553113257.db2.gz RSRCTXSIMHFARR-ZBFHGGJFSA-N 1 0 393.281 2.655 20 0 GFADRO C[C@H](C(=O)Nc1ccc(I)cc1)[N@H+](C)C[C@H]1CCOC1 ZINC000246908250 553115212 /nfs/dbraw/zinc/11/52/12/553115212.db2.gz FYDPHZDKSQRJRJ-VXGBXAGGSA-N 1 0 388.249 2.587 20 0 GFADRO O[C@@H](COc1ccc(Br)cc1)CN1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000246956911 553115576 /nfs/dbraw/zinc/11/55/76/553115576.db2.gz AXLMYTBBNAJMHW-FUHWJXTLSA-N 1 0 397.357 2.997 20 0 GFADRO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)[C@H](C)NC(=O)c1cccc(Cl)c1Cl ZINC000247012232 553117145 /nfs/dbraw/zinc/11/71/45/553117145.db2.gz JBDMPDOJIVUCCI-WFASDCNBSA-N 1 0 386.323 2.910 20 0 GFADRO CCOCCC[N@@H+]1CC[C@H](NS(=O)(=O)c2cc(F)ccc2Cl)[C@@H](C)C1 ZINC000247043651 553118301 /nfs/dbraw/zinc/11/83/01/553118301.db2.gz AMFGKBYDTZIJGO-BBRMVZONSA-N 1 0 392.924 2.894 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)Cc2nnnn2-c2ccccc2Br)[C@@H](C)C1 ZINC000247225150 553120055 /nfs/dbraw/zinc/12/00/55/553120055.db2.gz RQBIVVOZUZWCSW-ZFWWWQNUSA-N 1 0 393.333 2.587 20 0 GFADRO C[N@@H+]1CCC[C@H](CNC(=O)NCC[S@@](=O)C(C)(C)C)[C@@H]1c1cccs1 ZINC000247375597 553121986 /nfs/dbraw/zinc/12/19/86/553121986.db2.gz DWVBMAQCGFKKCV-MJBQAUCRSA-N 1 0 385.599 2.977 20 0 GFADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CCc2cccc(Br)c2)C1 ZINC000248215946 553128262 /nfs/dbraw/zinc/12/82/62/553128262.db2.gz GCUTXMOWUROGLL-QGZVFWFLSA-N 1 0 383.330 2.855 20 0 GFADRO C[C@H](C[S@@](C)=O)[N@H+](C)C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000248614839 553132046 /nfs/dbraw/zinc/13/20/46/553132046.db2.gz JUPXPDMIKOHPON-NNJUXLKUSA-N 1 0 398.750 2.541 20 0 GFADRO COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000248908919 553137158 /nfs/dbraw/zinc/13/71/58/553137158.db2.gz XMJNHWUKUQXCDU-MNOVXSKESA-N 1 0 386.279 2.636 20 0 GFADRO C[C@@H]1C[N@H+](C[C@@H](O)COc2ccc(Cl)cc2Br)CC[C@H]1O ZINC000249570480 553144188 /nfs/dbraw/zinc/14/41/88/553144188.db2.gz OCVWPEBBJMOPBM-MPKXVKKWSA-N 1 0 378.694 2.545 20 0 GFADRO C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 ZINC000249743694 553146286 /nfs/dbraw/zinc/14/62/86/553146286.db2.gz KYGUHXWIQPBHJO-HZPDHXFCSA-N 1 0 384.307 2.808 20 0 GFADRO C[C@H]1CCN(Cc2nc(-c3ccc(Br)cc3)c[nH]2)[C@@H](C(N)=O)C1 ZINC000250109474 553147410 /nfs/dbraw/zinc/14/74/10/553147410.db2.gz SQJVHYAWRGBFRH-XHDPSFHLSA-N 1 0 377.286 2.925 20 0 GFADRO O=S(=O)(c1ccc(Br)s1)N1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000250230131 553147419 /nfs/dbraw/zinc/14/74/19/553147419.db2.gz ZHGZCFBHPXPXKP-GHMZBOCLSA-N 1 0 379.345 2.806 20 0 GFADRO CC[C@@H](Cc1cccc(Br)c1)C(=O)N1CCN(CCO)[C@@H](C)C1 ZINC000250135345 553147559 /nfs/dbraw/zinc/14/75/59/553147559.db2.gz XYEXMFNXOUIADT-HOCLYGCPSA-N 1 0 383.330 2.543 20 0 GFADRO CC[NH+]1CCN([C@H](C)CNC(=O)[C@H]2C[C@H]2c2cccc(Br)c2)CC1 ZINC000250571743 553147890 /nfs/dbraw/zinc/14/78/90/553147890.db2.gz XMFSBTWWPGRVBQ-JLSDUUJJSA-N 1 0 394.357 2.695 20 0 GFADRO CN1CCO[C@H]([C@@H](NS(=O)(=O)CC2CCCC2)c2ccc(Cl)cc2)C1 ZINC000252735945 553150435 /nfs/dbraw/zinc/15/04/35/553150435.db2.gz SEFVMYIAFWCNCC-ROUUACIJSA-N 1 0 386.945 2.821 20 0 GFADRO Brc1cnc(CN2CC[C@H]3[NH2+]CC[C@H]3C2)c(Br)c1 ZINC000261566999 553153648 /nfs/dbraw/zinc/15/36/48/553153648.db2.gz IMKDVEZZTHRLIY-JOYOIKCWSA-N 1 0 375.108 2.790 20 0 GFADRO [NH3+][C@@H]1CN(S(=O)(=O)Cc2ccc(Br)cc2)C[C@H]1c1ccccc1 ZINC000261613811 553154136 /nfs/dbraw/zinc/15/41/36/553154136.db2.gz CMJBNBKEUVIIQC-DLBZAZTESA-N 1 0 395.322 2.706 20 0 GFADRO Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)[C@@](C)([NH3+])c1ccc(Br)cc1 ZINC000261624339 553154751 /nfs/dbraw/zinc/15/47/51/553154751.db2.gz BECNCUUSEMXOGC-ZMZPIMSZSA-N 1 0 393.329 2.721 20 0 GFADRO O=C(NC[C@@H]1CCCN(Cc2ccc(Br)c(F)c2)C1)[C@H]1CCC[NH2+]1 ZINC000261647103 553155159 /nfs/dbraw/zinc/15/51/59/553155159.db2.gz JFEONVGHMKRNHH-WMLDXEAASA-N 1 0 398.320 2.668 20 0 GFADRO CO[C@@H]1CCN(S(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)[C@@H](C[NH3+])C1 ZINC000261641346 553155254 /nfs/dbraw/zinc/15/52/54/553155254.db2.gz ACPQUZOGCCTHRL-NXEZZACHSA-N 1 0 387.716 2.774 20 0 GFADRO [NH3+]CC1(CC(=O)N2CCN(c3ccc(Br)cn3)CC2)CCCCC1 ZINC000261709893 553156407 /nfs/dbraw/zinc/15/64/07/553156407.db2.gz PMVGZFCYPHNINK-UHFFFAOYSA-N 1 0 395.345 2.792 20 0 GFADRO C[C@@]([NH3+])(C(=O)NCCC(=O)N1CCCCCC1)c1ccc(Br)cc1 ZINC000261697721 553156799 /nfs/dbraw/zinc/15/67/99/553156799.db2.gz IEOLRPFUQXPIOF-SFHVURJKSA-N 1 0 396.329 2.532 20 0 GFADRO C[NH2+][C@H](C)Cc1noc([C@@H]2CC(=O)N(c3ccccc3Br)C2)n1 ZINC000261763197 553158746 /nfs/dbraw/zinc/15/87/46/553158746.db2.gz MNSWPQOILSPNDO-GHMZBOCLSA-N 1 0 379.258 2.503 20 0 GFADRO C[C@H](NS(=O)(=O)c1c(Cl)cccc1Br)[C@@H]1CCC[NH2+]C1 ZINC000261765283 553158817 /nfs/dbraw/zinc/15/88/17/553158817.db2.gz OEAPEKDNCWSBNV-VHSXEESVSA-N 1 0 381.723 2.769 20 0 GFADRO C[C@@]1(C[NH3+])CCN(C(=O)CCC[S@@](=O)c2ccc(Br)cc2)C1 ZINC000261782224 553159016 /nfs/dbraw/zinc/15/90/16/553159016.db2.gz GDTSVAGWBCGBCK-KSFYIVLOSA-N 1 0 387.343 2.534 20 0 GFADRO Cc1cc(Br)ccc1S(=O)(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000261777875 553159115 /nfs/dbraw/zinc/15/91/15/553159115.db2.gz SVLCUDBOKHPLJS-JKSUJKDBSA-N 1 0 395.322 2.873 20 0 GFADRO C[NH2+][C@H](C)Cc1noc([C@@H](c2ccc(Cl)cc2Cl)N2CCOCC2)n1 ZINC000261804176 553160012 /nfs/dbraw/zinc/16/00/12/553160012.db2.gz PITNIRVWZRANCY-BDJLRTHQSA-N 1 0 385.295 2.948 20 0 GFADRO Cn1ccnc1[C@H]1C[NH2+]CCN1CCOc1ccc(Cl)cc1Br ZINC000261823320 553160460 /nfs/dbraw/zinc/16/04/60/553160460.db2.gz USIISPJFAPJJQY-CQSZACIVSA-N 1 0 399.720 2.861 20 0 GFADRO Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2nc(C3([NH3+])CCCC3)no2)s1 ZINC000261862806 553160946 /nfs/dbraw/zinc/16/09/46/553160946.db2.gz UNBVANBUZIIERZ-LBPRGKRZSA-N 1 0 382.511 2.693 20 0 GFADRO C[C@@]1(CNS(=O)(=O)c2c(Cl)cccc2Br)CCC[NH2+]C1 ZINC000261876212 553161641 /nfs/dbraw/zinc/16/16/41/553161641.db2.gz ZQWFPNGMEVPSRL-CYBMUJFWSA-N 1 0 381.723 2.771 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)CC[C@H]1CC[NH2+]C1 ZINC000261890386 553162240 /nfs/dbraw/zinc/16/22/40/553162240.db2.gz WGGRHQXJYAWRDI-ZDUSSCGKSA-N 1 0 382.302 2.544 20 0 GFADRO COCC1(CNS(=O)(=O)c2ccc(Cl)c3ccccc32)CC[NH2+]CC1 ZINC000262032295 553164641 /nfs/dbraw/zinc/16/46/41/553164641.db2.gz OEOHJGKYJBCGHI-UHFFFAOYSA-N 1 0 382.913 2.788 20 0 GFADRO O=C(Cc1csc(-c2ccc(Cl)s2)n1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000262048644 553164657 /nfs/dbraw/zinc/16/46/57/553164657.db2.gz MHHGBNVNWWSEKH-CYBMUJFWSA-N 1 0 396.969 2.574 20 0 GFADRO O=C(Nc1ncc(C2CC[NH2+]CC2)s1)c1c[nH]c(=O)c(Br)c1 ZINC000262202302 553167399 /nfs/dbraw/zinc/16/73/99/553167399.db2.gz DDMDCAIDSKUFPG-UHFFFAOYSA-N 1 0 383.271 2.726 20 0 GFADRO CCCOc1ccc(Br)cc1CN1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000262190469 553167479 /nfs/dbraw/zinc/16/74/79/553167479.db2.gz YMFHQBMFDKMOPQ-QGZVFWFLSA-N 1 0 382.346 2.717 20 0 GFADRO O=C(c1ccc(Oc2ccc(Br)cc2)nc1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000262423949 553170909 /nfs/dbraw/zinc/17/09/09/553170909.db2.gz BYZRHBJFGQOFPA-OKILXGFUSA-N 1 0 388.265 2.928 20 0 GFADRO O=S(=O)(c1ccc(Br)c(F)c1)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000262518096 553171828 /nfs/dbraw/zinc/17/18/28/553171828.db2.gz NTKCUOGMYUWGCD-HNNXBMFYSA-N 1 0 391.306 2.741 20 0 GFADRO O=C(CCOc1ccc(Cl)cc1Br)NCC[C@@H]1CC[NH2+]C1 ZINC000262582356 553172274 /nfs/dbraw/zinc/17/22/74/553172274.db2.gz MSVYIRLFKKQEPO-NSHDSACASA-N 1 0 375.694 2.987 20 0 GFADRO C[C@@H](NC(=O)[C@@H](C)C1C[NH2+]C1)c1nc(-c2ccc(Br)cc2)no1 ZINC000262560002 553172279 /nfs/dbraw/zinc/17/22/79/553172279.db2.gz QMVKFOOUCRMMPP-VHSXEESVSA-N 1 0 379.258 2.532 20 0 GFADRO CCOc1cc(Br)c(NC(=O)C[C@@H]2COCC[NH2+]2)cc1OCC ZINC000262541687 553172574 /nfs/dbraw/zinc/17/25/74/553172574.db2.gz NKDAXEBALSUBCF-LLVKDONJSA-N 1 0 387.274 2.564 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)c2ccc(I)c(F)c2)C1 ZINC000262565770 553172623 /nfs/dbraw/zinc/17/26/23/553172623.db2.gz CUFPEJSFNQIPBH-MWLCHTKSSA-N 1 0 376.213 2.630 20 0 GFADRO C[C@H](CC(=O)N1CCC(n2cc(Br)cn2)CC1)C1CC[NH2+]CC1 ZINC000262634965 553173489 /nfs/dbraw/zinc/17/34/89/553173489.db2.gz MLRCAISNUDTFLW-CYBMUJFWSA-N 1 0 383.334 2.835 20 0 GFADRO Cc1cc(Br)cc(NC(=O)c2ccn([C@@H]3CCC[NH2+]C3)n2)c1N ZINC000262778981 553175585 /nfs/dbraw/zinc/17/55/85/553175585.db2.gz MAAIJSQVFFDTGE-GFCCVEGCSA-N 1 0 378.274 2.713 20 0 GFADRO Cc1c(C(=O)N2CCCC[C@@H]2[C@@H](C)[NH3+])nnn1-c1cccc(Br)c1 ZINC000262769438 553175795 /nfs/dbraw/zinc/17/57/95/553175795.db2.gz UGYNUAVHMFCRLE-IAQYHMDHSA-N 1 0 392.301 2.680 20 0 GFADRO COc1cc(Br)c(S(=O)(=O)N[C@H]2CC[NH2+][C@H](C)C2)cc1Cl ZINC000262825583 553176935 /nfs/dbraw/zinc/17/69/35/553176935.db2.gz YFJPIADMSQTEQO-BDAKNGLRSA-N 1 0 397.722 2.530 20 0 GFADRO CO[C@@H](C[NH3+])CC(=O)Nc1ccc(Oc2cccc(Br)c2)nc1 ZINC000262955647 553179375 /nfs/dbraw/zinc/17/93/75/553179375.db2.gz VYPGZLDEXVRHKW-CQSZACIVSA-N 1 0 380.242 2.939 20 0 GFADRO CC(C)[C@@H]([NH3+])CNC(=O)NCc1ccc(I)c(Cl)c1 ZINC000418168867 563900271 /nfs/dbraw/zinc/90/02/71/563900271.db2.gz XIEZWZKAROGVTP-LBPRGKRZSA-N 1 0 395.672 2.727 20 0 GFADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)c1csc(=O)[nH]1 ZINC000471905889 564207050 /nfs/dbraw/zinc/20/70/50/564207050.db2.gz NZVYQZNRKSAEMK-UHFFFAOYSA-N 1 0 384.299 2.815 20 0 GFADRO CC(C)[NH+]1CCC(O)(CNC(=O)NCc2cc(Br)cs2)CC1 ZINC000473950344 564259557 /nfs/dbraw/zinc/25/95/57/564259557.db2.gz IFRVVZJYNFINEO-UHFFFAOYSA-N 1 0 390.347 2.545 20 0 GFADRO CCCC[N@H+](C)CCNC(=O)N[C@@H](CCO)c1ccccc1Br ZINC000543823115 564364459 /nfs/dbraw/zinc/36/44/59/564364459.db2.gz NFJNLEPLFWFDTC-INIZCTEOSA-N 1 0 386.334 2.904 20 0 GFADRO C[C@@H]([NH2+]C[C@H]1CCCCN1CCO)c1ccc(I)cc1 ZINC000453261107 564450912 /nfs/dbraw/zinc/45/09/12/564450912.db2.gz JWDOECDPYGWSFN-CZUORRHYSA-N 1 0 388.293 2.789 20 0 GFADRO CC(C)(CO)CC[NH2+][C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000453274660 564452268 /nfs/dbraw/zinc/45/22/68/564452268.db2.gz KSMRNNRMIZHIQI-CYBMUJFWSA-N 1 0 376.316 2.666 20 0 GFADRO COc1ccc(NC(=O)N2C[C@@H](SC)[C@@H]([NH+](C)C)C2)cc1Br ZINC000546840262 564470257 /nfs/dbraw/zinc/47/02/57/564470257.db2.gz JOWJBOMGJINUSM-GXTWGEPZSA-N 1 0 388.331 2.967 20 0 GFADRO C[NH+](C)[C@@]1(CNC(=O)NCc2cc(F)ccc2Br)CCSC1 ZINC000481275112 564508382 /nfs/dbraw/zinc/50/83/82/564508382.db2.gz FJYHODIDQFJAFW-OAHLLOKOSA-N 1 0 390.322 2.825 20 0 GFADRO OC1(CC[NH2+]Cc2cc(Cl)ccc2I)CCOCC1 ZINC000594939850 565435369 /nfs/dbraw/zinc/43/53/69/565435369.db2.gz FWMLCKSNHUCRKB-UHFFFAOYSA-N 1 0 395.668 2.966 20 0 GFADRO O=C(c1cccc(I)c1)N1CCCC2(CC[NH2+]CC2)C1 ZINC000372429668 563306217 /nfs/dbraw/zinc/30/62/17/563306217.db2.gz BOUQJNMTZUVROK-UHFFFAOYSA-N 1 0 384.261 2.897 20 0 GFADRO C[C@H]([NH2+]C[C@H](CO)[C@@H]1CCOC1)c1ccc(I)cc1 ZINC000280878252 563358904 /nfs/dbraw/zinc/35/89/04/563358904.db2.gz OEWSNQXBRFFTDT-IACUBPJLSA-N 1 0 375.250 2.587 20 0 GFADRO CC[C@@H]1C[N@H+](C)CCCN1S(=O)(=O)c1ccc(F)cc1Br ZINC000300533025 563391765 /nfs/dbraw/zinc/39/17/65/563391765.db2.gz FKJADWYGLALHQO-GFCCVEGCSA-N 1 0 379.295 2.693 20 0 GFADRO Cn1ncc(Br)c1C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000294679862 563212685 /nfs/dbraw/zinc/21/26/85/563212685.db2.gz FBBAEZHTXPSZFN-LBPRGKRZSA-N 1 0 383.315 2.811 20 0 GFADRO CCOCC[C@H](O)C[NH+]1CCN(CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000277562718 563213170 /nfs/dbraw/zinc/21/31/70/563213170.db2.gz ALXZGOMLRJQLDN-INIZCTEOSA-N 1 0 375.340 2.941 20 0 GFADRO [NH3+]CC[C@H](NC(=O)NCCc1c[nH]c2cccc(Br)c12)C(F)F ZINC000418204716 563213566 /nfs/dbraw/zinc/21/35/66/563213566.db2.gz XZLGYXQAXBPWBS-LBPRGKRZSA-N 1 0 389.244 2.755 20 0 GFADRO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)c1cccc(Br)c1F ZINC000277565896 563213922 /nfs/dbraw/zinc/21/39/22/563213922.db2.gz WTKQEWHZMNIAPV-UHFFFAOYSA-N 1 0 386.309 2.686 20 0 GFADRO O=C(NCc1nc2c(cccc2Br)[nH]1)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000418270835 563214713 /nfs/dbraw/zinc/21/47/13/563214713.db2.gz SIOWJGMGMOAWPL-QJPTWQEYSA-N 1 0 392.301 2.513 20 0 GFADRO CO[C@@H]1CCN(C(=O)NC/C=C\c2ccc(Br)cc2)[C@H](C[NH3+])C1 ZINC000418265828 563215048 /nfs/dbraw/zinc/21/50/48/563215048.db2.gz LDWFOPRZJIINFY-UVCACSLRSA-N 1 0 382.302 2.610 20 0 GFADRO CC(=O)c1ccc(S(=O)(=O)NC[C@@H]2CC[N@@H+](C)[C@@H]2c2cccs2)cc1 ZINC000369538068 563216416 /nfs/dbraw/zinc/21/64/16/563216416.db2.gz ADHXLRBHYWLDRJ-YJBOKZPZSA-N 1 0 378.519 2.922 20 0 GFADRO COCCN(Cc1sccc1Br)C(=O)N[C@@H]1CCC[C@H]1C[NH3+] ZINC000418465539 563217795 /nfs/dbraw/zinc/21/77/95/563217795.db2.gz NGBIVVMHHUKXRZ-WCQYABFASA-N 1 0 390.347 2.796 20 0 GFADRO CCC[NH2+]CCNC(=O)N1CCO[C@@H](c2ccc(Br)cc2)[C@@H]1C ZINC000418464811 563217869 /nfs/dbraw/zinc/21/78/69/563217869.db2.gz BRPHFJXFCHDXNM-XJKSGUPXSA-N 1 0 384.318 2.920 20 0 GFADRO C[C@@H](CC(=O)Nc1ccc(Br)cc1)NCc1nnc(C2CC2)[nH]1 ZINC000294866770 563219427 /nfs/dbraw/zinc/21/94/27/563219427.db2.gz UHHOPIDJTQZHSJ-JTQLQIEISA-N 1 0 378.274 2.952 20 0 GFADRO COCCN(Cc1cc(Br)cs1)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000418548821 563220004 /nfs/dbraw/zinc/22/00/04/563220004.db2.gz LENGQJGJNZPAPP-CYBMUJFWSA-N 1 0 390.347 2.811 20 0 GFADRO COCCN(Cc1ccc(Br)s1)C(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000418567389 563220060 /nfs/dbraw/zinc/22/00/60/563220060.db2.gz GLAVNHIVCWZGRS-DGCLKSJQSA-N 1 0 390.347 2.667 20 0 GFADRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N[C@@H](CO)c1ccc(Cl)cc1C(F)(F)F ZINC000418603641 563220723 /nfs/dbraw/zinc/22/07/23/563220723.db2.gz WUEQJMGOHHKMJX-FZQKWOKYSA-N 1 0 379.810 2.689 20 0 GFADRO CC[NH2+][C@H](C)CNC(=O)N1CCN([C@@H](C)c2ccc(Br)cc2)CC1 ZINC000418601608 563220841 /nfs/dbraw/zinc/22/08/41/563220841.db2.gz LMNZKCHGUSBDGO-CABCVRRESA-N 1 0 397.361 2.835 20 0 GFADRO C[C@H](CCC[NH3+])NC(=O)N1CCN([C@H](C)c2ccc(Br)cc2)CC1 ZINC000418704058 563222885 /nfs/dbraw/zinc/22/28/85/563222885.db2.gz MSTAFGWJYNGBPU-HUUCEWRRSA-N 1 0 397.361 2.965 20 0 GFADRO CC[C@@H]([NH3+])CNC(=O)N1CCN(c2ccc(C(F)(F)F)cc2Cl)CC1 ZINC000418708437 563223043 /nfs/dbraw/zinc/22/30/43/563223043.db2.gz JGPOIGLBBBCVFM-GFCCVEGCSA-N 1 0 378.826 2.928 20 0 GFADRO CN(CCOc1ccc(Br)cc1)C(=O)NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000418735518 563223292 /nfs/dbraw/zinc/22/32/92/563223292.db2.gz WOTQJHYPDJGYRR-ZFWWWQNUSA-N 1 0 384.318 2.987 20 0 GFADRO O=C(N[C@@H]1C[NH2+]CCC1(F)F)N1CCc2c(F)ccc(Br)c2C1 ZINC000418745868 563224238 /nfs/dbraw/zinc/22/42/38/563224238.db2.gz HFYBZTROJURAEZ-CYBMUJFWSA-N 1 0 392.219 2.653 20 0 GFADRO O=C(N[C@H](CCO)c1ccc(Cl)c(Cl)c1)N[C@H]1C[NH2+]CCC1(F)F ZINC000418749934 563224401 /nfs/dbraw/zinc/22/44/01/563224401.db2.gz CVVAUCLCLAWTRB-OLZOCXBDSA-N 1 0 382.238 2.713 20 0 GFADRO CCN(Cc1ccccc1Br)C(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000418763398 563225285 /nfs/dbraw/zinc/22/52/85/563225285.db2.gz NFJZIIQEUUUNCP-CYBMUJFWSA-N 1 0 376.245 2.978 20 0 GFADRO COCCN(Cc1sccc1Br)C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000418804333 563225863 /nfs/dbraw/zinc/22/58/63/563225863.db2.gz ZDELERNMQXJKPY-VXGBXAGGSA-N 1 0 390.347 2.796 20 0 GFADRO O=C(NCCNc1cccc(Br)c1)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000418804157 563225914 /nfs/dbraw/zinc/22/59/14/563225914.db2.gz WTCJEYICYQKCQT-WOSRLPQWSA-N 1 0 381.318 2.548 20 0 GFADRO COCCN(Cc1cc(Br)cs1)C(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000418792021 563226002 /nfs/dbraw/zinc/22/60/02/563226002.db2.gz OGQXFLYLGARCKS-YPMHNXCESA-N 1 0 390.347 2.796 20 0 GFADRO CCN(CCOc1ccc(Br)cc1)C(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000418788612 563226057 /nfs/dbraw/zinc/22/60/57/563226057.db2.gz KXNFOARLCBOAFX-ZFWWWQNUSA-N 1 0 384.318 2.987 20 0 GFADRO CC[C@H]([NH2+]CCc1nccnc1C)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000295047102 563226984 /nfs/dbraw/zinc/22/69/84/563226984.db2.gz PXNOEOWFBDDDKW-HNNXBMFYSA-N 1 0 382.917 2.630 20 0 GFADRO C[C@@H](NC(=O)C(=O)N1CCC2(C1)CC[NH2+]CC2)c1ccc(Cl)cc1Cl ZINC000418836939 563227256 /nfs/dbraw/zinc/22/72/56/563227256.db2.gz SEHKGPAEAZJJOD-GFCCVEGCSA-N 1 0 384.307 2.773 20 0 GFADRO C[C@H](NC(=O)C(=O)N[C@H]1CC[NH2+][C@H](C)C1)c1cc(F)c(Cl)cc1Cl ZINC000418848510 563227330 /nfs/dbraw/zinc/22/73/30/563227330.db2.gz LMGDVVURZUQLEQ-UTLUCORTSA-N 1 0 376.259 2.566 20 0 GFADRO O=C1N[C@@H](CC(F)(F)F)C(=O)N1C[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000277817034 563228142 /nfs/dbraw/zinc/22/81/42/563228142.db2.gz MKGIKANOBFRTGZ-YPMHNXCESA-N 1 0 375.416 2.833 20 0 GFADRO C[C@@H](NC(=O)C(=O)N[C@@H]1CCCC[NH2+]C1)c1cc(F)c(Cl)cc1Cl ZINC000418856672 563228221 /nfs/dbraw/zinc/22/82/21/563228221.db2.gz XEJYJIHAEBKGBF-NXEZZACHSA-N 1 0 376.259 2.568 20 0 GFADRO Cc1c(Br)cc(C(=O)Nc2ccccc2CC[NH+](C)C)c(=O)n1C ZINC000277885425 563230605 /nfs/dbraw/zinc/23/06/05/563230605.db2.gz SPVLHWYBEKLQCD-UHFFFAOYSA-N 1 0 392.297 2.813 20 0 GFADRO OCCOC1(C[NH2+]C2CC(c3cccc(Br)c3)C2)CCOCC1 ZINC000370009899 563231082 /nfs/dbraw/zinc/23/10/82/563231082.db2.gz PHCOLONHRJFQOP-UHFFFAOYSA-N 1 0 384.314 2.843 20 0 GFADRO C[C@H]([NH2+]C[C@@H]1CCC[C@@]12NC(=O)N(C)C2=O)c1ccc(Br)cc1 ZINC000370024213 563231247 /nfs/dbraw/zinc/23/12/47/563231247.db2.gz BBJWCNCIKKFAGO-PLQHRBFRSA-N 1 0 380.286 2.820 20 0 GFADRO Cc1c(Br)cc(C(=O)N(C)CC[N@H+](C)C2CCCCC2)c(=O)n1C ZINC000277925771 563232965 /nfs/dbraw/zinc/23/29/65/563232965.db2.gz FBBSYDCKELXMSI-UHFFFAOYSA-N 1 0 398.345 2.793 20 0 GFADRO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CCc3c2ccc(Cl)c3Cl)C1 ZINC000419096502 563233226 /nfs/dbraw/zinc/23/32/26/563233226.db2.gz LSMNKKJMDCZJQS-XHDPSFHLSA-N 1 0 384.307 2.555 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N[C@H]1CCc2c1ccc(Cl)c2Cl ZINC000419100311 563233814 /nfs/dbraw/zinc/23/38/14/563233814.db2.gz PTOKEKMMELFCQP-NZVBXONLSA-N 1 0 384.307 2.825 20 0 GFADRO C[C@H](NC(=O)C(=O)N[C@H](C[NH3+])C1CCCCC1)c1ccc(Br)cc1 ZINC000419131005 563234359 /nfs/dbraw/zinc/23/43/59/563234359.db2.gz BUTNDPYYFVWRMT-BLLLJJGKSA-N 1 0 396.329 2.650 20 0 GFADRO Cc1cccc(CNC(=O)C(=O)NCC2([NH3+])CCCCCC2)c1Br ZINC000419161831 563234381 /nfs/dbraw/zinc/23/43/81/563234381.db2.gz FHXSURYQSVALBT-UHFFFAOYSA-N 1 0 396.329 2.542 20 0 GFADRO CC[NH2+][C@H](C)CNC(=O)C(=O)NCC1(c2c(Cl)cccc2Cl)CCC1 ZINC000419170664 563234596 /nfs/dbraw/zinc/23/45/96/563234596.db2.gz HSYALOGHTZTHSK-GFCCVEGCSA-N 1 0 386.323 2.646 20 0 GFADRO C[C@H](C[NH3+])CNC(=O)C(=O)NCC1(c2ccc(Cl)cc2Cl)CCCC1 ZINC000419134424 563234732 /nfs/dbraw/zinc/23/47/32/563234732.db2.gz HPBFEGWQLJIKAQ-GFCCVEGCSA-N 1 0 386.323 2.632 20 0 GFADRO [NH3+]CC[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CCSc3ccc(Cl)cc32)C1 ZINC000419223698 563235193 /nfs/dbraw/zinc/23/51/93/563235193.db2.gz YTEWILZGHCHNRA-SWLSCSKDSA-N 1 0 381.929 2.581 20 0 GFADRO C[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CCSc3ccc(Cl)cc32)[C@@H]1C[NH3+] ZINC000419223208 563235473 /nfs/dbraw/zinc/23/54/73/563235473.db2.gz YFWWJXNFRJNZTI-BYCMXARLSA-N 1 0 381.929 2.579 20 0 GFADRO C[C@H]([NH3+])C1CCN(C(=O)C(=O)N[C@@H]2CCSc3ccc(Cl)cc32)CC1 ZINC000419241814 563235484 /nfs/dbraw/zinc/23/54/84/563235484.db2.gz SARYHYOFUSETPS-XHDPSFHLSA-N 1 0 381.929 2.579 20 0 GFADRO C[C@H]([NH2+][C@H]1CCOC[C@H]1C)C(=O)Nc1ccc(I)cc1 ZINC000277986276 563235697 /nfs/dbraw/zinc/23/56/97/563235697.db2.gz UGFHKWCTNJMMCE-SUNKGSAMSA-N 1 0 388.249 2.633 20 0 GFADRO C[NH+](C)CCn1nccc1NS(=O)(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000295218919 563236358 /nfs/dbraw/zinc/23/63/58/563236358.db2.gz QPVSPWQKDNVFJP-UHFFFAOYSA-N 1 0 377.297 2.693 20 0 GFADRO CCC[NH+]1CCN(C2CCN(C(=O)c3occc3Br)CC2)CC1 ZINC000370245793 563238098 /nfs/dbraw/zinc/23/80/98/563238098.db2.gz YUVQPOOGDXQYCY-UHFFFAOYSA-N 1 0 384.318 2.674 20 0 GFADRO CCC[C@](C)(O)C[NH2+]Cc1cc(Br)ccc1O[C@@H](C)C(=O)NC ZINC000295245265 563238428 /nfs/dbraw/zinc/23/84/28/563238428.db2.gz TVGQDHBGOHKPFW-SJCJKPOMSA-N 1 0 387.318 2.603 20 0 GFADRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)NCC(C)(C)c1ccc(Cl)c(Cl)c1 ZINC000419355067 563238731 /nfs/dbraw/zinc/23/87/31/563238731.db2.gz FQHGEQRFDYRJQB-RYUDHWBXSA-N 1 0 386.323 2.583 20 0 GFADRO C[C@H](CNC(=O)C(=O)N1CCC[C@@H](CC[NH3+])C1)c1c(Cl)cccc1Cl ZINC000419520294 563241057 /nfs/dbraw/zinc/24/10/57/563241057.db2.gz PUVFOFQSMZAARX-OLZOCXBDSA-N 1 0 386.323 2.801 20 0 GFADRO O=C(Nc1ccccc1Br)N1CCC[C@H]1C[N@H+]1CCC[C@@H]1CO ZINC000370353493 563241087 /nfs/dbraw/zinc/24/10/87/563241087.db2.gz OGHBAPFUIGMZQP-UONOGXRCSA-N 1 0 382.302 2.902 20 0 GFADRO O=C(Nc1ccc(Br)cc1)N1CCC[C@@H]1C[N@H+]1CCC[C@@H]1CO ZINC000370353428 563241142 /nfs/dbraw/zinc/24/11/42/563241142.db2.gz NIALEQZMFHBGMW-HZPDHXFCSA-N 1 0 382.302 2.902 20 0 GFADRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N[C@@H](C)Cc1c(Cl)cccc1Cl ZINC000419567311 563242386 /nfs/dbraw/zinc/24/23/86/563242386.db2.gz JNTQBBZTYUXWAE-LRDDRELGSA-N 1 0 388.339 2.872 20 0 GFADRO C[C@H](NC(=O)C(=O)N1CC[C@@H]([NH3+])C1)c1ccc(-c2ccc(Cl)cc2)s1 ZINC000419617686 563243997 /nfs/dbraw/zinc/24/39/97/563243997.db2.gz VNZJSJPWJDRJLB-SMDDNHRTSA-N 1 0 377.897 2.805 20 0 GFADRO CO[C@H](c1ccccc1F)[C@@H](C)[NH2+]Cc1ccc(S(N)(=O)=O)c(Cl)c1 ZINC000419688314 563245197 /nfs/dbraw/zinc/24/51/97/563245197.db2.gz GKBIGKGIHCVGDT-DIFFPNOSSA-N 1 0 386.876 2.992 20 0 GFADRO CCn1ncnc1C[NH2+]C1CCN(Cc2ccccc2Br)CC1 ZINC000370482142 563245707 /nfs/dbraw/zinc/24/57/07/563245707.db2.gz BYGOKDZLQDJZOS-UHFFFAOYSA-N 1 0 378.318 2.815 20 0 GFADRO Cc1cccc(NC(=O)C(=O)NCC2CC[NH+](C3CC3)CC2)c1Br ZINC000278235262 563245955 /nfs/dbraw/zinc/24/59/55/563245955.db2.gz SIJGEKSTZDHYPT-UHFFFAOYSA-N 1 0 394.313 2.687 20 0 GFADRO O=C(N[C@@H]1CCC[N@@H+](CCCO)C1)c1cc(F)c(Br)cc1Cl ZINC000295403848 563246296 /nfs/dbraw/zinc/24/62/96/563246296.db2.gz IVSQJACXQYRREZ-SNVBAGLBSA-N 1 0 393.684 2.818 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)NCC(C)(C)c2c(Cl)cccc2Cl)C1 ZINC000419698156 563246762 /nfs/dbraw/zinc/24/67/62/563246762.db2.gz SCAYFJGUQAXYIU-VXGBXAGGSA-N 1 0 386.323 2.583 20 0 GFADRO C[C@H](NC(=O)C(=O)NC[C@@H]([NH3+])c1ccccc1)c1ccc(Br)s1 ZINC000419705843 563246848 /nfs/dbraw/zinc/24/68/48/563246848.db2.gz JFPCSMDQBRCFPI-CMPLNLGQSA-N 1 0 396.310 2.504 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000278277259 563248294 /nfs/dbraw/zinc/24/82/94/563248294.db2.gz YMURRACDRSVFEF-UHFFFAOYSA-N 1 0 394.313 2.687 20 0 GFADRO CN(C)[C@@H](C[NH2+]C1CCN(S(=O)(=O)c2cccs2)CC1)c1cccs1 ZINC000370573405 563248921 /nfs/dbraw/zinc/24/89/21/563248921.db2.gz DSZRBJQPQPOLHT-HNNXBMFYSA-N 1 0 399.607 2.855 20 0 GFADRO CC[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000419754613 563249380 /nfs/dbraw/zinc/24/93/80/563249380.db2.gz PDOVMLBGYMUIRF-DJSGYFEHSA-N 1 0 386.323 2.545 20 0 GFADRO CC[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000419750549 563249510 /nfs/dbraw/zinc/24/95/10/563249510.db2.gz IXYLOLJLIFBCOX-KSSFIOAISA-N 1 0 386.323 2.628 20 0 GFADRO CC[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000419755340 563249636 /nfs/dbraw/zinc/24/96/36/563249636.db2.gz QCDIFHCLRVQBBL-NILFDRSVSA-N 1 0 386.323 2.674 20 0 GFADRO CC[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000419755986 563249674 /nfs/dbraw/zinc/24/96/74/563249674.db2.gz RNYGGPUOGQYPTK-AWEZNQCLSA-N 1 0 388.339 2.874 20 0 GFADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)c1cccc(F)c1Br ZINC000295507770 563251050 /nfs/dbraw/zinc/25/10/50/563251050.db2.gz YVYZASXPYILZAY-LBPRGKRZSA-N 1 0 385.277 2.914 20 0 GFADRO CCC[C@H](O)[C@@H](CO)[NH2+]Cc1cn(-c2ccc(Br)cc2)nc1C ZINC000419834650 563251976 /nfs/dbraw/zinc/25/19/76/563251976.db2.gz XLYMFXOYXIPQCA-SJORKVTESA-N 1 0 382.302 2.555 20 0 GFADRO CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000419876915 563252395 /nfs/dbraw/zinc/25/23/95/563252395.db2.gz FMBGLXGUBSTFDL-OCCSQVGLSA-N 1 0 386.323 2.846 20 0 GFADRO O=C(Cc1ccc(Br)cc1)NC[C@H]1CCC[C@@H]1[NH+]1CCOCC1 ZINC000370757745 563254191 /nfs/dbraw/zinc/25/41/91/563254191.db2.gz IMNCKHDGTZBBSO-WBVHZDCISA-N 1 0 381.314 2.609 20 0 GFADRO COc1cc(Br)ccc1C(=O)NC[C@@H]1CCC[C@H]1[NH+]1CCOCC1 ZINC000370762483 563254852 /nfs/dbraw/zinc/25/48/52/563254852.db2.gz RSOVBTKUVGLUIL-XJKSGUPXSA-N 1 0 397.313 2.688 20 0 GFADRO O=C(Cc1cccc(I)c1)N(C1CC1)C1CC[NH2+]CC1 ZINC000370792699 563255356 /nfs/dbraw/zinc/25/53/56/563255356.db2.gz BUZWNIIMTMIFJW-UHFFFAOYSA-N 1 0 384.261 2.577 20 0 GFADRO NC(=O)C1(N2CCN(Cc3csc(-c4ccsc4)n3)CC2)CCCC1 ZINC000370791420 563255855 /nfs/dbraw/zinc/25/58/55/563255855.db2.gz WFYJCHHYSPGKIL-UHFFFAOYSA-N 1 0 376.551 2.787 20 0 GFADRO CN(C(=O)Cc1ccc(Br)cc1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000370831922 563257667 /nfs/dbraw/zinc/25/76/67/563257667.db2.gz WOTFGBHMWWAORZ-SFHVURJKSA-N 1 0 394.357 2.619 20 0 GFADRO CCc1nc(CN2CCCN(C(=O)CCOCC(F)(F)F)CC2)cs1 ZINC000370871244 563258480 /nfs/dbraw/zinc/25/84/80/563258480.db2.gz YDFUTXMCLCRPIJ-UHFFFAOYSA-N 1 0 379.448 2.709 20 0 GFADRO C[C@@H]1c2cc(Cl)c(Cl)cc2CCN1C(=O)C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000420191852 563259453 /nfs/dbraw/zinc/25/94/53/563259453.db2.gz QJWCVRWWLFVIIL-NQBHXWOUSA-N 1 0 384.307 2.683 20 0 GFADRO C[C@@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)C(=O)NCCC1=CC[NH2+]CC1 ZINC000420170188 563259832 /nfs/dbraw/zinc/25/98/32/563259832.db2.gz WZOUJQIIWMSEFU-LBPRGKRZSA-N 1 0 384.307 2.939 20 0 GFADRO Cn1cc([C@@H]2[C@H](CNC(=O)c3cccc(Br)c3)CCC[N@@H+]2C)cn1 ZINC000370917825 563259897 /nfs/dbraw/zinc/25/98/97/563259897.db2.gz PCKJIVUIBARGSB-YOEHRIQHSA-N 1 0 391.313 2.996 20 0 GFADRO Cn1cc([C@@H]2[C@H](CNC(=O)c3ccc(Br)cc3)CCC[N@@H+]2C)cn1 ZINC000370905945 563260041 /nfs/dbraw/zinc/26/00/41/563260041.db2.gz SMXXVGNOHQVCJP-YOEHRIQHSA-N 1 0 391.313 2.996 20 0 GFADRO Cc1ccc(-n2ncc(N3CC[C@H]4C[NH2+]C[C@H]4C3)c(Cl)c2=O)cc1Cl ZINC000420269654 563261165 /nfs/dbraw/zinc/26/11/65/563261165.db2.gz XYDYXEMRAIBWBG-STQMWFEESA-N 1 0 379.291 2.893 20 0 GFADRO CN(Cc1ccc(Cl)s1)C(=O)CN1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1 ZINC000420391325 563263127 /nfs/dbraw/zinc/26/31/27/563263127.db2.gz RZNTZHPCEOSSFI-GOEBONIOSA-N 1 0 381.904 2.926 20 0 GFADRO Cn1ncc(Br)c1C[NH2+][C@@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000278615085 563263350 /nfs/dbraw/zinc/26/33/50/563263350.db2.gz DGCIPFWJPWALQE-GDBMZVCRSA-N 1 0 385.256 2.996 20 0 GFADRO O=S(=O)(c1ccc(F)cc1Br)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420451592 563263524 /nfs/dbraw/zinc/26/35/24/563263524.db2.gz BMGLEJYROYUJMN-SMDDNHRTSA-N 1 0 391.306 2.741 20 0 GFADRO COc1ccc(C(=O)N2CC(C)(C)[C@@H]2c2nccn2C)nc1Br ZINC000295815526 563264041 /nfs/dbraw/zinc/26/40/41/563264041.db2.gz HFCKZIQWBDACEC-LBPRGKRZSA-N 1 0 379.258 2.810 20 0 GFADRO CC1(C)C[NH2+]CC[C@H]1NS(=O)(=O)c1ccc(Cl)cc1Br ZINC000420458612 563264634 /nfs/dbraw/zinc/26/46/34/563264634.db2.gz JDOBLBZRTPMTQK-GFCCVEGCSA-N 1 0 381.723 2.769 20 0 GFADRO Cc1ccc(NCc2c(Br)cnn2C)cc1NC(=O)CC[NH+](C)C ZINC000278666575 563265380 /nfs/dbraw/zinc/26/53/80/563265380.db2.gz GYCKLTSYHGWSKQ-UHFFFAOYSA-N 1 0 394.317 2.993 20 0 GFADRO Cc1cc(S(=O)(=O)N2CCC(N3CC[NH+](C(C)C)CC3)CC2)c(C)s1 ZINC000371216497 563268185 /nfs/dbraw/zinc/26/81/85/563268185.db2.gz SYGZQFMZKSEIQU-UHFFFAOYSA-N 1 0 385.599 2.544 20 0 GFADRO C[NH+](C)C1CCC(Nc2c(F)cc(S(N)(=O)=O)cc2Br)CC1 ZINC000420629571 563269278 /nfs/dbraw/zinc/26/92/78/563269278.db2.gz QZOCJEIJMWSNEF-UHFFFAOYSA-N 1 0 394.310 2.520 20 0 GFADRO O=C(COc1ccccc1Br)N1CCC[N@@H+](C2CCOCC2)CC1 ZINC000371242737 563269605 /nfs/dbraw/zinc/26/96/05/563269605.db2.gz PKWSKNNETZNLMU-UHFFFAOYSA-N 1 0 397.313 2.541 20 0 GFADRO COCC[C@@]1(C(=O)Nc2ccc(N3CCSCC3)c(Cl)c2)CC[NH2+]C1 ZINC000371262279 563270111 /nfs/dbraw/zinc/27/01/11/563270111.db2.gz JZPKBMOFUSTOMI-SFHVURJKSA-N 1 0 383.945 2.848 20 0 GFADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C[C@@H](O)c1ccccc1Br ZINC000278792082 563270458 /nfs/dbraw/zinc/27/04/58/563270458.db2.gz YEUJKKKJZLKFEO-KBXCAEBGSA-N 1 0 383.330 2.668 20 0 GFADRO CCC[N@H+](C)C[C@H]1CCN(S(=O)(=O)c2cc(F)ccc2OC(F)F)C1 ZINC000420664261 563271677 /nfs/dbraw/zinc/27/16/77/563271677.db2.gz DZMZSOONNPHAEY-GFCCVEGCSA-N 1 0 380.432 2.780 20 0 GFADRO O[C@@H]1CCC[C@H]1[NH+]1CCN(CC2=Cc3cc(Br)ccc3OC2)CC1 ZINC000371325966 563272471 /nfs/dbraw/zinc/27/24/71/563272471.db2.gz HGCYOWZJRUTHAM-QZTJIDSGSA-N 1 0 393.325 2.756 20 0 GFADRO O[C@H]1CCC[C@@H]1[NH+]1CCN(CC2=Cc3cc(Br)ccc3OC2)CC1 ZINC000371325967 563272626 /nfs/dbraw/zinc/27/26/26/563272626.db2.gz HGCYOWZJRUTHAM-ROUUACIJSA-N 1 0 393.325 2.756 20 0 GFADRO C[C@H](CN1CCN(c2ccc(=O)[nH]n2)CC1)c1cccc(Br)c1 ZINC000371337761 563273134 /nfs/dbraw/zinc/27/31/34/563273134.db2.gz WDYBPMBDWWOQKO-CYBMUJFWSA-N 1 0 377.286 2.870 20 0 GFADRO Cc1cc(OC[C@H](O)C[NH2+]CCCS(C)(=O)=O)c(C(C)C)cc1Cl ZINC000296066604 563273768 /nfs/dbraw/zinc/27/37/68/563273768.db2.gz XQQFAKGHUJSZBN-CQSZACIVSA-N 1 0 377.934 2.536 20 0 GFADRO COc1ccc(CNC(=O)N2CC[C@H]3CC[N@H+](C)[C@@H]3C2)cc1Br ZINC000371508647 563280038 /nfs/dbraw/zinc/28/00/38/563280038.db2.gz LAWKWQZKMGNACO-UKRRQHHQSA-N 1 0 382.302 2.693 20 0 GFADRO COc1cc(C(F)(F)F)cc(S(=O)(=O)N(C)CCCn2ccnc2)c1 ZINC000296245655 563280439 /nfs/dbraw/zinc/28/04/39/563280439.db2.gz LHKUFVOZMYADDM-UHFFFAOYSA-N 1 0 377.388 2.621 20 0 GFADRO CN(C[C@H]1CCC[N@@H+]1C)S(=O)(=O)c1cccc(Br)c1Cl ZINC000420735899 563280919 /nfs/dbraw/zinc/28/09/19/563280919.db2.gz KNOLMTKUCHAZKZ-SNVBAGLBSA-N 1 0 381.723 2.817 20 0 GFADRO COc1nccnc1C[NH2+]C[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000296316394 563283347 /nfs/dbraw/zinc/28/33/47/563283347.db2.gz GXEDMNMWJVXLBY-ZDUSSCGKSA-N 1 0 377.286 2.864 20 0 GFADRO CC(C)(O)C[N@@H+]1CCc2c(cccc2NC(=O)C[C@H]2CSCCS2)C1 ZINC000371705982 563285188 /nfs/dbraw/zinc/28/51/88/563285188.db2.gz HEPVJXLXBSCFMV-HNNXBMFYSA-N 1 0 380.579 2.993 20 0 GFADRO C[C@@H](CNC(=O)N(C)C[C@@H]1CCC[N@@H+]1C)Oc1cccc(Br)c1 ZINC000420787356 563285473 /nfs/dbraw/zinc/28/54/73/563285473.db2.gz CDQJHOYDBXQXRM-ZFWWWQNUSA-N 1 0 384.318 2.952 20 0 GFADRO O=C(NC[C@H](CO)Cc1cccc(Br)c1)C1CC[NH+](C2CC2)CC1 ZINC000279177383 563286352 /nfs/dbraw/zinc/28/63/52/563286352.db2.gz DNBDNPVCIGNHBI-OAHLLOKOSA-N 1 0 395.341 2.591 20 0 GFADRO Cc1nn(C)c(CNCc2ccc(-n3ccnc3C)nc2)c1Br ZINC000279181025 563286534 /nfs/dbraw/zinc/28/65/34/563286534.db2.gz RYOONRJNOURCQN-UHFFFAOYSA-N 1 0 375.274 2.670 20 0 GFADRO NS(=O)(=O)[C@H]1CCC[N@H+](CCSc2ccnc3cc(Cl)ccc32)C1 ZINC000371778422 563287403 /nfs/dbraw/zinc/28/74/03/563287403.db2.gz QMSNVYBLJBEGGE-ZDUSSCGKSA-N 1 0 385.942 2.733 20 0 GFADRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000420846619 563288164 /nfs/dbraw/zinc/28/81/64/563288164.db2.gz VKIXOJKAYYZWTH-NVXWUHKLSA-N 1 0 395.345 2.763 20 0 GFADRO CC1(C)OCC(CO)([NH2+]Cc2cc(Br)cc3cccnc32)CO1 ZINC000279276873 563290425 /nfs/dbraw/zinc/29/04/25/563290425.db2.gz OANBLJACKVATIU-UHFFFAOYSA-N 1 0 381.270 2.601 20 0 GFADRO COC1([C@H](C)[NH2+]Cc2ccc(I)cc2)CCOCC1 ZINC000421029764 563294630 /nfs/dbraw/zinc/29/46/30/563294630.db2.gz IQDQVSFCPOJJMJ-LBPRGKRZSA-N 1 0 375.250 2.965 20 0 GFADRO O=C(Cc1cc(F)ccc1Br)NC[C@H]1CCC[C@@H]1[NH+]1CCOCC1 ZINC000372111314 563296220 /nfs/dbraw/zinc/29/62/20/563296220.db2.gz QRUCTIMPTBTCTP-DYVFJYSZSA-N 1 0 399.304 2.748 20 0 GFADRO COC(=O)c1cccc(NC(=O)N(C)C[C@@H]2CCC[N@@H+]2C)c1Br ZINC000421117792 563296949 /nfs/dbraw/zinc/29/69/49/563296949.db2.gz YQHNJCFHSBKXMT-NSHDSACASA-N 1 0 384.274 2.794 20 0 GFADRO CCS(=O)(=O)c1c(Cl)cccc1C[NH2+][C@H]1CCc2nc(C)ncc2C1 ZINC000372226650 563299873 /nfs/dbraw/zinc/29/98/73/563299873.db2.gz IBWREFXWSYFOTC-HNNXBMFYSA-N 1 0 379.913 2.879 20 0 GFADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[N@@H+]1CCC[C@](C)(O)CC1 ZINC000296782257 563301844 /nfs/dbraw/zinc/30/18/44/563301844.db2.gz LWLKKEKHWRHMQI-ACJLOTCBSA-N 1 0 399.329 2.699 20 0 GFADRO CO[C@@H](CC(C)C)CS(=O)(=O)Nc1ccc(OCC[NH+](C)C)cc1F ZINC000421230688 563302036 /nfs/dbraw/zinc/30/20/36/563302036.db2.gz IDTJSDVLFVEMTK-HNNXBMFYSA-N 1 0 376.494 2.569 20 0 GFADRO COc1cc(Br)c(C[NH2+]C[C@@H]2CCCN(C(C)=O)C2)c(OC)c1 ZINC000279634301 563304318 /nfs/dbraw/zinc/30/43/18/563304318.db2.gz CFWIZCFTMLKMNO-ZDUSSCGKSA-N 1 0 385.302 2.814 20 0 GFADRO CS(=O)(=O)C1(C[NH2+]Cc2cc(Br)ccc2OC(F)F)CC1 ZINC000279680388 563306034 /nfs/dbraw/zinc/30/60/34/563306034.db2.gz OQOICSIUYOXABV-UHFFFAOYSA-N 1 0 384.242 2.717 20 0 GFADRO COC[C@@H]1CN(C(=O)C2CC[NH+](Cc3ccc(Cl)s3)CC2)C[C@@H](C)O1 ZINC000372516285 563309199 /nfs/dbraw/zinc/30/91/99/563309199.db2.gz XKEFMPRDPOSHOG-HIFRSBDPSA-N 1 0 386.945 2.876 20 0 GFADRO CON1CCC([NH2+]Cc2cc(Br)cc(Br)c2N)CC1 ZINC000421397778 563309635 /nfs/dbraw/zinc/30/96/35/563309635.db2.gz MWXYCRIBTHVTTP-UHFFFAOYSA-N 1 0 393.123 2.909 20 0 GFADRO CO[C@@H](c1ccccc1)[C@H](C)[NH2+]C1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000279791822 563311106 /nfs/dbraw/zinc/31/11/06/563311106.db2.gz VDJFYBZZERLWFL-SWLSCSKDSA-N 1 0 380.432 2.666 20 0 GFADRO CN(Cc1nc(C(F)(F)F)cs1)C(=O)[C@]1([NH3+])[C@@H]2CCCO[C@H]2C1(C)C ZINC000372576748 563311369 /nfs/dbraw/zinc/31/13/69/563311369.db2.gz MBDMLYRIWARLDH-DDHOLCJHSA-N 1 0 377.432 2.653 20 0 GFADRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1cc(F)c(Br)cc1Cl ZINC000279908476 563314475 /nfs/dbraw/zinc/31/44/75/563314475.db2.gz MZXOYCNJASZTKB-SNVBAGLBSA-N 1 0 393.684 2.818 20 0 GFADRO O=C(CNC(=O)c1sc2ccccc2c1Cl)NCC[N@H+]1CC=CCC1 ZINC000279932109 563315016 /nfs/dbraw/zinc/31/50/16/563315016.db2.gz GXOYYVXNSOYVOH-UHFFFAOYSA-N 1 0 377.897 2.663 20 0 GFADRO CN(C[C@@H](O)c1ccccc1Br)C(=O)C1CC[NH+](C2CC2)CC1 ZINC000297132920 563316887 /nfs/dbraw/zinc/31/68/87/563316887.db2.gz KPULJXZTWGWWBU-QGZVFWFLSA-N 1 0 381.314 2.815 20 0 GFADRO CN(C[C@H](O)c1ccccc1Br)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000297224303 563320458 /nfs/dbraw/zinc/32/04/58/563320458.db2.gz XWAMVSUMUBWROV-DYVFJYSZSA-N 1 0 396.329 2.608 20 0 GFADRO CS(=O)(=O)c1ccc(C(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)s1 ZINC000421765700 563321033 /nfs/dbraw/zinc/32/10/33/563321033.db2.gz ZVLCBCBRVKNZQY-OAHLLOKOSA-N 1 0 384.567 2.880 20 0 GFADRO CC[NH+](CC)Cc1ccc(CNC(=O)c2ccc(S(C)(=O)=O)s2)cc1 ZINC000421742718 563321415 /nfs/dbraw/zinc/32/14/15/563321415.db2.gz SYKYKDVNVUUKLD-UHFFFAOYSA-N 1 0 380.535 2.923 20 0 GFADRO CN1CCC[C@]2(CC[N@H+](Cc3cc4c(cc3Br)OCCO4)C2)C1=O ZINC000372907034 563322018 /nfs/dbraw/zinc/32/20/18/563322018.db2.gz VQRVRGCVAIBJEV-GOSISDBHSA-N 1 0 395.297 2.665 20 0 GFADRO [NH3+]C[C@H]1CCCN(C(=O)[C@@H]2CCCN2C(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000297380227 563325825 /nfs/dbraw/zinc/32/58/25/563325825.db2.gz MXCMRASJXKWUON-WBMJQRKESA-N 1 0 384.307 2.795 20 0 GFADRO C[C@@H]([NH2+]CCCC(C)(F)F)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000297422647 563326050 /nfs/dbraw/zinc/32/60/50/563326050.db2.gz UTPOTRXDKIUKAW-CQSZACIVSA-N 1 0 376.469 2.794 20 0 GFADRO C[C@H]([NH2+]CCCC(C)(F)F)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000297422641 563326522 /nfs/dbraw/zinc/32/65/22/563326522.db2.gz UTPOTRXDKIUKAW-AWEZNQCLSA-N 1 0 376.469 2.794 20 0 GFADRO CC(=O)N[C@@H](CC(=O)N(C)C[C@H]1CCC[N@@H+]1C)c1ccc(Br)cc1 ZINC000422013313 563327655 /nfs/dbraw/zinc/32/76/55/563327655.db2.gz CUCRGQYRAJCVKA-SJORKVTESA-N 1 0 396.329 2.569 20 0 GFADRO O=C(N1CC[C@@H]2CC[NH2+][C@H]2C1)C1(c2ccc(Br)cc2)CCOCC1 ZINC000373065854 563327968 /nfs/dbraw/zinc/32/79/68/563327968.db2.gz LFYRESLJRVLGBB-YOEHRIQHSA-N 1 0 393.325 2.708 20 0 GFADRO COc1ccc(Br)cc1C(=O)CCC(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000422021064 563328201 /nfs/dbraw/zinc/32/82/01/563328201.db2.gz MKTMMOUUVJALDJ-AWEZNQCLSA-N 1 0 397.313 2.973 20 0 GFADRO [NH3+][C@H]1C[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1ccc(Br)cc1Cl ZINC000373171838 563330119 /nfs/dbraw/zinc/33/01/19/563330119.db2.gz CNPXSFGRIHJQEU-JGPRNRPPSA-N 1 0 379.707 2.745 20 0 GFADRO CN1CCC2(CC[NH+](C[C@@H](O)COc3cc(Cl)ccc3Cl)CC2)C1=O ZINC000373171927 563330606 /nfs/dbraw/zinc/33/06/06/563330606.db2.gz DRWMKXHXQWRCMU-CQSZACIVSA-N 1 0 387.307 2.677 20 0 GFADRO CCS(=O)(=O)c1ccc(C[NH2+]C2CCN(C(=O)c3ccoc3)CC2)s1 ZINC000280303094 563331017 /nfs/dbraw/zinc/33/10/17/563331017.db2.gz BJYFNAXOUFPANW-UHFFFAOYSA-N 1 0 382.507 2.529 20 0 GFADRO COc1ccc2c(c1)[C@@H]([NH3+])CCN2S(=O)(=O)c1cnc2ccsc2c1 ZINC000373182317 563331422 /nfs/dbraw/zinc/33/14/22/563331422.db2.gz HTSLXYXYUSHXSS-AWEZNQCLSA-N 1 0 375.475 2.904 20 0 GFADRO C[N@@H+]1CCC[C@H](CCNC(=O)C(=O)NCCc2cc(Cl)cc(Cl)c2)C1 ZINC000422267682 563335198 /nfs/dbraw/zinc/33/51/98/563335198.db2.gz IYVHRCPVSVHMIC-CYBMUJFWSA-N 1 0 386.323 2.500 20 0 GFADRO C[C@@H]([NH2+]C1CCSCC1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000280425064 563336641 /nfs/dbraw/zinc/33/66/41/563336641.db2.gz AVDIQXUGCPQEFV-SECBINFHSA-N 1 0 379.345 2.643 20 0 GFADRO O[C@@]1(C[NH2+]Cc2c(F)ccc(I)c2F)CCSC1 ZINC000280431994 563337643 /nfs/dbraw/zinc/33/76/43/563337643.db2.gz XMKRTVBAIDFCRB-GFCCVEGCSA-N 1 0 385.217 2.527 20 0 GFADRO C[C@@H]([NH2+][C@H]1CCc2n[nH]cc2C1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000373564980 563342189 /nfs/dbraw/zinc/34/21/89/563342189.db2.gz WZSVYXNNUJAQPP-SCZZXKLOSA-N 1 0 389.308 2.572 20 0 GFADRO O=C(c1cnnn1-c1c(Cl)cccc1Cl)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000373552402 563342284 /nfs/dbraw/zinc/34/22/84/563342284.db2.gz QUVLURKVVGUFTK-LBPRGKRZSA-N 1 0 380.279 2.884 20 0 GFADRO COc1cc(Cl)c(S(=O)(=O)N2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)cc1Cl ZINC000422555521 563342924 /nfs/dbraw/zinc/34/29/24/563342924.db2.gz QFADECDJOIKPGS-AXFHLTTASA-N 1 0 381.325 2.996 20 0 GFADRO C[C@@H](CO)[N@@H+]1CCCN(C(=O)c2cc(F)c(Br)cc2Cl)CC1 ZINC000373577113 563342945 /nfs/dbraw/zinc/34/29/45/563342945.db2.gz MMJUJGUNGVWLOE-JTQLQIEISA-N 1 0 393.684 2.770 20 0 GFADRO C[C@@H]1C[C@H](C)N(S(=O)(=O)c2ccc(OCC(F)(F)F)cc2)C[C@@H]1C[NH3+] ZINC000422558702 563343421 /nfs/dbraw/zinc/34/34/21/563343421.db2.gz ZLRAIJXRBITYHE-AGIUHOORSA-N 1 0 380.432 2.622 20 0 GFADRO CC[C@H]([NH2+][C@@H]1CCc2c[nH]nc2C1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000373643615 563345253 /nfs/dbraw/zinc/34/52/53/563345253.db2.gz XOWWEEOZRJAFHW-HIFRSBDPSA-N 1 0 382.917 2.569 20 0 GFADRO C[C@@H]1C[C@H](C)N(CC(=O)N(C)Cc2cc(Br)cs2)C[C@@H]1C[NH3+] ZINC000422639395 563345406 /nfs/dbraw/zinc/34/54/06/563345406.db2.gz SRCBWCHNRAZGPF-AGIUHOORSA-N 1 0 388.375 2.774 20 0 GFADRO C[C@H]([NH3+])[C@H](Cc1ccccc1)NCCNC(=O)c1ccc(Br)cc1 ZINC000422731789 563348146 /nfs/dbraw/zinc/34/81/46/563348146.db2.gz MHLITCMFUORHAY-KSSFIOAISA-N 1 0 390.325 2.727 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)N1CCC[N@@H+]([C@@H](C)CO)CC1 ZINC000373740146 563348830 /nfs/dbraw/zinc/34/88/30/563348830.db2.gz FCFCYONEWVBIQW-AWEZNQCLSA-N 1 0 384.318 2.986 20 0 GFADRO CN(CC(=O)Nc1ccccc1Br)C(=O)[C@@H]1[NH2+]CCCC1(C)C ZINC000422929160 563350522 /nfs/dbraw/zinc/35/05/22/563350522.db2.gz OLSQNEARZGTWFG-HNNXBMFYSA-N 1 0 382.302 2.624 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)[C@@H](C(C)C)[C@@H](C)[NH3+] ZINC000422930646 563350838 /nfs/dbraw/zinc/35/08/38/563350838.db2.gz VIUFGEJUVLDFLJ-WBMJQRKESA-N 1 0 384.318 2.774 20 0 GFADRO CC(C)OCCC[NH2+][C@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000280713132 563351456 /nfs/dbraw/zinc/35/14/56/563351456.db2.gz MOWDNKYZVUQSOV-LLVKDONJSA-N 1 0 379.320 2.562 20 0 GFADRO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NC[C@H](O)COc1ccccc1Br ZINC000422947561 563351578 /nfs/dbraw/zinc/35/15/78/563351578.db2.gz YKVKZMSHXRZLSK-QILLFSRXSA-N 1 0 393.325 2.737 20 0 GFADRO COc1cc(Br)c(CN[C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)cc1OC ZINC000422948578 563351873 /nfs/dbraw/zinc/35/18/73/563351873.db2.gz SNKITSVVSGFMEA-VNQPRFMTSA-N 1 0 399.329 2.713 20 0 GFADRO Brc1cc2c(c(CN[C@@H]3CCOC[C@@H]3[C@@H]3CCC[NH2+]3)c1)OCC2 ZINC000423049736 563353693 /nfs/dbraw/zinc/35/36/93/563353693.db2.gz KPKKUJAZUDSJND-IXDOHACOSA-N 1 0 381.314 2.631 20 0 GFADRO C[C@@H](C[C@H]1COCC[NH2+]1)NCc1ccc(Cl)cc1I ZINC000423091429 563354802 /nfs/dbraw/zinc/35/48/02/563354802.db2.gz XCBFILSLRKSACV-GWCFXTLKSA-N 1 0 394.684 2.801 20 0 GFADRO Cc1ccc([C@@H]([NH2+]CCOCC(F)(F)C(F)F)[C@H](C)S(C)(=O)=O)cc1 ZINC000280809130 563355314 /nfs/dbraw/zinc/35/53/14/563355314.db2.gz LSZDZWACLJRDSH-JSGCOSHPSA-N 1 0 385.423 2.976 20 0 GFADRO OC1(C[NH2+]Cc2ccc(OC(F)(F)F)c(Br)c2)CCOCC1 ZINC000280823749 563355878 /nfs/dbraw/zinc/35/58/78/563355878.db2.gz IYWDBUUNTRRHSS-UHFFFAOYSA-N 1 0 384.192 2.979 20 0 GFADRO CCCN(Cc1ccccc1Br)C(=O)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000423125229 563356469 /nfs/dbraw/zinc/35/64/69/563356469.db2.gz NMMLHQILIWWSRO-UHFFFAOYSA-N 1 0 398.345 2.631 20 0 GFADRO CC1(C)CCC[NH2+][C@@H]1C(=O)NCCc1ccc(I)s1 ZINC000423130235 563356779 /nfs/dbraw/zinc/35/67/79/563356779.db2.gz GFZNUTYUUKZESS-GFCCVEGCSA-N 1 0 392.306 2.790 20 0 GFADRO [NH3+]CC1(CC(=O)NCC2(c3ccc(Br)cc3)CCOCC2)CC1 ZINC000423137690 563357189 /nfs/dbraw/zinc/35/71/89/563357189.db2.gz WVALTYWMWNTEDV-UHFFFAOYSA-N 1 0 381.314 2.743 20 0 GFADRO OCC1([NH2+]Cc2ccc(OC(F)(F)F)c(Br)c2)CCOCC1 ZINC000280854348 563357506 /nfs/dbraw/zinc/35/75/06/563357506.db2.gz LOUSODGDFBHRAL-UHFFFAOYSA-N 1 0 384.192 2.979 20 0 GFADRO CN(C(=O)C[NH+]1CCC(n2cc(Br)cn2)CC1)c1ccccc1 ZINC000374011659 563358489 /nfs/dbraw/zinc/35/84/89/563358489.db2.gz KEMLGJKLPHACFQ-UHFFFAOYSA-N 1 0 377.286 2.946 20 0 GFADRO [NH3+]CCCn1cc(C(=O)Nc2cccc(Cl)c2SCC(F)F)nn1 ZINC000423206511 563358785 /nfs/dbraw/zinc/35/87/85/563358785.db2.gz FXKAQBSQPLFVHV-UHFFFAOYSA-N 1 0 375.832 2.890 20 0 GFADRO O=C(CC[NH2+][C@H]1CCC(=O)NC12CCC2)Nc1cccc(Br)c1 ZINC000298635024 563362168 /nfs/dbraw/zinc/36/21/68/563362168.db2.gz WFBISZSYWBHIQQ-AWEZNQCLSA-N 1 0 380.286 2.569 20 0 GFADRO CCCN(C(=O)C(=O)N(C)Cc1c(Cl)cccc1Cl)C1CC[NH2+]CC1 ZINC000423690178 563362924 /nfs/dbraw/zinc/36/29/24/563362924.db2.gz DGDBSQQYKJDYAP-UHFFFAOYSA-N 1 0 386.323 2.942 20 0 GFADRO Cc1csc(C(=O)N[C@H]2CC[NH2+]CC2(C)C)c1I ZINC000423753961 563363620 /nfs/dbraw/zinc/36/36/20/563363620.db2.gz YYDAIKRDHPXMKA-VIFPVBQESA-N 1 0 378.279 2.779 20 0 GFADRO CC(C)[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000423754615 563363636 /nfs/dbraw/zinc/36/36/36/563363636.db2.gz ZWJAQCLKQOXAJB-MWLCHTKSSA-N 1 0 385.839 2.552 20 0 GFADRO CC(C)[C@@H](C(=O)NCc1nc(-c2cccc(Br)c2)no1)[C@@H](C)[NH3+] ZINC000423934200 563364247 /nfs/dbraw/zinc/36/42/47/563364247.db2.gz YQOFGDRCZDLGMO-QMTHXVAHSA-N 1 0 381.274 2.735 20 0 GFADRO [NH3+]C[C@@H](NC(=O)[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)C1CCCC1 ZINC000423935482 563364273 /nfs/dbraw/zinc/36/42/73/563364273.db2.gz AGNZZJFVSZZPNC-XJKSGUPXSA-N 1 0 384.307 2.980 20 0 GFADRO COCCN(Cc1sccc1Br)C(=O)[C@@H]1CCC[NH2+][C@@H]1C ZINC000423853319 563364386 /nfs/dbraw/zinc/36/43/86/563364386.db2.gz WPZZJJGPVLUING-VXGBXAGGSA-N 1 0 375.332 2.874 20 0 GFADRO O=C(c1ccccc1I)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000423964497 563365716 /nfs/dbraw/zinc/36/57/16/563365716.db2.gz QHWPYGXPEMQISB-SWLSCSKDSA-N 1 0 384.261 2.895 20 0 GFADRO Cc1cc(C(=O)NC2CCC(N3CC[NH2+]CC3)CC2)ccc1Br ZINC000423955657 563365723 /nfs/dbraw/zinc/36/57/23/563365723.db2.gz TYAWSZLUYBKMTJ-UHFFFAOYSA-N 1 0 380.330 2.704 20 0 GFADRO CCOc1cc(Br)c(CC(=O)N(C)[C@H](C[NH3+])C2CC2)cc1OCC ZINC000423962392 563365901 /nfs/dbraw/zinc/36/59/01/563365901.db2.gz VFMUEIBGPJVZNB-OAHLLOKOSA-N 1 0 399.329 2.985 20 0 GFADRO C[C@H]1CCN(C(=O)c2cn(-c3ccc(Br)cc3)cn2)C[C@H]1C[NH3+] ZINC000423990589 563366468 /nfs/dbraw/zinc/36/64/68/563366468.db2.gz CRERTYKZSLPEHM-QWHCGFSZSA-N 1 0 377.286 2.692 20 0 GFADRO C[C@@H]1CN(C(=O)Cc2ccc(Br)cc2)CCN1C1CC[NH+](C)CC1 ZINC000374266885 563366831 /nfs/dbraw/zinc/36/68/31/563366831.db2.gz AMMKVFIYGQTHTP-OAHLLOKOSA-N 1 0 394.357 2.619 20 0 GFADRO [NH3+]Cc1cn([C@@H]2CCCN(C(=O)c3ccc(Br)cc3Cl)C2)nn1 ZINC000424009732 563366875 /nfs/dbraw/zinc/36/68/75/563366875.db2.gz YLWMESDJYMPKKS-GFCCVEGCSA-N 1 0 398.692 2.630 20 0 GFADRO C[NH2+]CCCN(C)C(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000424032866 563367931 /nfs/dbraw/zinc/36/79/31/563367931.db2.gz MGPXZLBMNNQLDB-AWEZNQCLSA-N 1 0 386.323 2.914 20 0 GFADRO C[C@H]1CCN(C(=O)COc2ccc(Br)cc2Cl)C[C@H]1C[NH3+] ZINC000424019726 563367961 /nfs/dbraw/zinc/36/79/61/563367961.db2.gz RVJKTZZUCKZEKX-WDEREUQCSA-N 1 0 375.694 2.925 20 0 GFADRO CCC(CC)(CO)C[NH2+][C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000281197869 563369153 /nfs/dbraw/zinc/36/91/53/563369153.db2.gz SOBXMMONBWBKCD-NSHDSACASA-N 1 0 393.347 2.546 20 0 GFADRO C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000424076286 563369290 /nfs/dbraw/zinc/36/92/90/563369290.db2.gz QIHVPTONRFCXGC-RNJOBUHISA-N 1 0 386.323 2.944 20 0 GFADRO C[C@H]([NH2+]C[C@H]1CCn2ncc(C(N)=O)c2C1)c1ccc(F)c(Br)c1 ZINC000281205865 563369984 /nfs/dbraw/zinc/36/99/84/563369984.db2.gz SIDYVVPCMMOSIP-QWRGUYRKSA-N 1 0 395.276 2.797 20 0 GFADRO O=C(Nc1ccc(Cl)c(Br)c1)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000424120518 563371015 /nfs/dbraw/zinc/37/10/15/563371015.db2.gz FBEMAJKPUXMMOO-JTQLQIEISA-N 1 0 384.665 2.871 20 0 GFADRO C[C@H]([NH2+][C@@H](C)[C@H]1CCCCO1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000281249174 563371130 /nfs/dbraw/zinc/37/11/30/563371130.db2.gz XCBDIAHLZIMLSC-COPLHBTASA-N 1 0 391.331 2.705 20 0 GFADRO CCOc1c(Br)cc(C[NH2+]C[C@@H]2CCN(C)C(=O)C2)cc1OC ZINC000424192066 563372313 /nfs/dbraw/zinc/37/23/13/563372313.db2.gz RDLHXJCQXKRCDM-GFCCVEGCSA-N 1 0 385.302 2.814 20 0 GFADRO CCOc1c(Br)cc(C[NH2+]CCCCS(C)(=O)=O)cc1OC ZINC000424169675 563372411 /nfs/dbraw/zinc/37/24/11/563372411.db2.gz ISWLMFQIAIKLFV-UHFFFAOYSA-N 1 0 394.331 2.771 20 0 GFADRO C[C@@H]1C[N@H+](CCCNC(=O)c2c[nH]c3ncc(Br)cc23)CCCO1 ZINC000281336728 563374083 /nfs/dbraw/zinc/37/40/83/563374083.db2.gz WONMYTGWCIEQQO-GFCCVEGCSA-N 1 0 395.301 2.556 20 0 GFADRO C[C@H]1CC2(CN1C(=O)c1ccccc1I)CC[NH2+]CC2 ZINC000424226765 563374300 /nfs/dbraw/zinc/37/43/00/563374300.db2.gz SJJMWWNOFRVNAA-LBPRGKRZSA-N 1 0 384.261 2.895 20 0 GFADRO O=C(c1cc(=O)[nH]c2c(Br)cccc12)N1CCC2(C1)CC[NH2+]CC2 ZINC000374512209 563374645 /nfs/dbraw/zinc/37/46/45/563374645.db2.gz ZVCCNSULIDIFMB-UHFFFAOYSA-N 1 0 390.281 2.919 20 0 GFADRO C[C@H]([NH2+]C[C@@H]1CCN(C)C(=O)C1)c1ccc(F)c(I)c1 ZINC000424315474 563375804 /nfs/dbraw/zinc/37/58/04/563375804.db2.gz CIQWXNRJYZPXQS-WDEREUQCSA-N 1 0 390.240 2.949 20 0 GFADRO CSc1cc(Br)ccc1CN1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424374240 563377603 /nfs/dbraw/zinc/37/76/03/563377603.db2.gz HYFQFESPFXWLCT-LSDHHAIUSA-N 1 0 381.343 2.831 20 0 GFADRO [NH3+][C@@H]1CCCC[C@H]1NC(=O)N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000424463664 563379660 /nfs/dbraw/zinc/37/96/60/563379660.db2.gz OKSQSVZFHSQPKA-RBSFLKMASA-N 1 0 385.295 2.668 20 0 GFADRO CC(C)C[NH+]1CCN(C(=O)Cc2noc3ccc(Br)cc32)CC1 ZINC000424555918 563381679 /nfs/dbraw/zinc/38/16/79/563381679.db2.gz GEMYIOLLRONZEH-UHFFFAOYSA-N 1 0 380.286 2.933 20 0 GFADRO COc1ccc(Br)c(CC(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)c1 ZINC000374855960 563384143 /nfs/dbraw/zinc/38/41/43/563384143.db2.gz JOVRSPKULJAPBY-KRWDZBQOSA-N 1 0 381.314 2.991 20 0 GFADRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)c1cc(F)ccc1I ZINC000299633090 563388039 /nfs/dbraw/zinc/38/80/39/563388039.db2.gz LYFUGKMECUDCFM-JTQLQIEISA-N 1 0 388.224 2.644 20 0 GFADRO CC(C)n1cc(Br)cc1C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000281901171 563389854 /nfs/dbraw/zinc/38/98/54/563389854.db2.gz ZBIRMRKAZKDMKE-UHFFFAOYSA-N 1 0 385.350 2.587 20 0 GFADRO CC[C@@H]1C[N@H+](C)CCCN1S(=O)(=O)c1ccc(Br)cc1F ZINC000300538580 563391373 /nfs/dbraw/zinc/39/13/73/563391373.db2.gz MAFHOLSTCXJFEI-GFCCVEGCSA-N 1 0 379.295 2.693 20 0 GFADRO COc1ncc(C(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)cc1Br ZINC000424775734 563391557 /nfs/dbraw/zinc/39/15/57/563391557.db2.gz RVVCJLWDSTUZMN-CYBMUJFWSA-N 1 0 382.302 2.657 20 0 GFADRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)Nc1ncnc2c1c(Br)nn2C ZINC000301149360 563394410 /nfs/dbraw/zinc/39/44/10/563394410.db2.gz IXIGOBPOBRIZJR-IJLUTSLNSA-N 1 0 381.322 2.904 20 0 GFADRO Cc1nc(C(F)(F)F)c(CN2CCCN(CC(=O)NC(C)C)CC2)s1 ZINC000375197721 563394969 /nfs/dbraw/zinc/39/49/69/563394969.db2.gz PTOBPNXMZVORLH-UHFFFAOYSA-N 1 0 378.464 2.503 20 0 GFADRO C[NH+]1CCC(n2ccc(NCc3cccc(I)c3)n2)CC1 ZINC000375226531 563396245 /nfs/dbraw/zinc/39/62/45/563396245.db2.gz IOTDEZIHCAUGGD-UHFFFAOYSA-N 1 0 396.276 3.367 20 0 GFADRO [NH3+][C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCN(c2cc(Cl)ccc2Cl)C1=O ZINC000375252419 563397555 /nfs/dbraw/zinc/39/75/55/563397555.db2.gz HWABLHNIZANWFQ-YIYPIFLZSA-N 1 0 382.291 2.827 20 0 GFADRO Cc1cn2c(n1)CC[C@H]([NH2+][C@@H]1CCN(c3cccc(Br)c3)C1=O)C2 ZINC000375411880 563404411 /nfs/dbraw/zinc/40/44/11/563404411.db2.gz AEIFTEQGUXMPLX-GOEBONIOSA-N 1 0 389.297 2.664 20 0 GFADRO CN(CC[NH2+][C@H]1Cc2[nH]c3ccccc3c2C1)S(=O)(=O)c1cccs1 ZINC000282285100 563404973 /nfs/dbraw/zinc/40/49/73/563404973.db2.gz LIDFELRVUNBIOA-CYBMUJFWSA-N 1 0 375.519 2.607 20 0 GFADRO O=C(CN1CCC[C@H]1c1nc(-c2cccc(Br)c2)no1)NC1CC1 ZINC000375462510 563405716 /nfs/dbraw/zinc/40/57/16/563405716.db2.gz OFTIZWXWQOXQAV-AWEZNQCLSA-N 1 0 391.269 2.915 20 0 GFADRO COCCCNC(=O)CN(C)c1cc[nH+]c2cc(OC)c(Br)cc21 ZINC000425207951 563411292 /nfs/dbraw/zinc/41/12/92/563411292.db2.gz MGSMNVKRRGDUNX-UHFFFAOYSA-N 1 0 396.285 2.595 20 0 GFADRO C[NH+](C)Cc1ccnc(NC(=O)C2(c3cncc(Br)c3)CC2)c1 ZINC000282472570 563412749 /nfs/dbraw/zinc/41/27/49/563412749.db2.gz DQPDVKDTLDZSJD-UHFFFAOYSA-N 1 0 375.270 2.971 20 0 GFADRO Cc1cnc(NCC2([NH+](C)C)CCOCC2)c(I)c1 ZINC000425227454 563413612 /nfs/dbraw/zinc/41/36/12/563413612.db2.gz OGWARWDEYVXDJO-UHFFFAOYSA-N 1 0 375.254 2.517 20 0 GFADRO COc1cc2[nH+]ccc(N[C@@H](CO)C[C@H](O)C(C)(C)C)c2cc1Br ZINC000425248576 563415018 /nfs/dbraw/zinc/41/50/18/563415018.db2.gz ABTSNLAXKLWUSE-DIFFPNOSSA-N 1 0 397.313 2.998 20 0 GFADRO CO[C@H](C[NH+]1CCC(S(=O)(=O)N2CCCC2)CC1)c1ccc(Cl)cc1 ZINC000282620098 563418115 /nfs/dbraw/zinc/41/81/15/563418115.db2.gz ZUBMAMHQOSOOGQ-GOSISDBHSA-N 1 0 386.945 2.918 20 0 GFADRO COCCCn1nccc1C[NH2+]C[C@H](CO)Cc1cccc(Br)c1 ZINC000282615898 563418223 /nfs/dbraw/zinc/41/82/23/563418223.db2.gz JDWMXQGFGVGSIT-MRXNPFEDSA-N 1 0 396.329 2.623 20 0 GFADRO COC(=O)[C@@H]1C[N@H+](Cc2ccc(C)nn2)C[C@H]1c1ccc(Br)cc1 ZINC000425348736 563419048 /nfs/dbraw/zinc/41/90/48/563419048.db2.gz OXDDGLSEVGQMQA-DLBZAZTESA-N 1 0 390.281 2.936 20 0 GFADRO CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CCN(S(=O)(=O)c3cccs3)C2)C12CCC2 ZINC000375842941 563420410 /nfs/dbraw/zinc/42/04/10/563420410.db2.gz XCHHKJMNHWNWNZ-HRCADAONSA-N 1 0 384.567 2.696 20 0 GFADRO CO[C@H](C[NH+]1CCC(C(=O)Nc2ccc(Br)cn2)CC1)C1CC1 ZINC000425424896 563421354 /nfs/dbraw/zinc/42/13/54/563421354.db2.gz NYPRXCKCHRNRSE-OAHLLOKOSA-N 1 0 382.302 2.920 20 0 GFADRO Cc1nc(C)c(NC(=O)C(=O)N[C@H](C[NH+](C)C)c2ccc(Cl)cc2)s1 ZINC000282781359 563424403 /nfs/dbraw/zinc/42/44/03/563424403.db2.gz KULGQKQKNXEXOT-CQSZACIVSA-N 1 0 380.901 2.771 20 0 GFADRO COC(=O)[C@@H]1C[N@H+](C[C@@H](O)C(F)(F)F)C[C@H]1c1ccc(Br)cc1 ZINC000425507955 563425931 /nfs/dbraw/zinc/42/59/31/563425931.db2.gz HCNPBGGDVLLQNX-YNEHKIRRSA-N 1 0 396.203 2.561 20 0 GFADRO Brc1ccc(C[NH+]2CC([C@@H]3CCOC3)C2)c(N2CCOCC2)c1 ZINC000376022226 563427290 /nfs/dbraw/zinc/42/72/90/563427290.db2.gz RLSYJNPRWYTCHJ-OAHLLOKOSA-N 1 0 381.314 2.754 20 0 GFADRO OCCOC1(C[NH2+]C2CC(c3ccc(Br)cc3)C2)CCOCC1 ZINC000282861099 563427591 /nfs/dbraw/zinc/42/75/91/563427591.db2.gz URHZBZNMKGWIRX-UHFFFAOYSA-N 1 0 384.314 2.843 20 0 GFADRO CCO[C@@H](CC[NH+](C)C)CNC(=O)Nc1cnc2c(Br)cccn12 ZINC000425675717 563431246 /nfs/dbraw/zinc/43/12/46/563431246.db2.gz RGWLDXPQCMSVKX-LBPRGKRZSA-N 1 0 398.305 2.575 20 0 GFADRO O=C(Nc1cnc2c(Br)cccn12)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000425676158 563431390 /nfs/dbraw/zinc/43/13/90/563431390.db2.gz SQFMOFWEPKSLSW-QWHCGFSZSA-N 1 0 378.274 2.845 20 0 GFADRO CN(C[C@H]1CCC[N@H+](C)C1)c1ncc(Cn2cc(Br)cn2)s1 ZINC000302832060 563431373 /nfs/dbraw/zinc/43/13/73/563431373.db2.gz RCMVMNFXNFMMQM-LBPRGKRZSA-N 1 0 384.347 2.928 20 0 GFADRO CCOc1cccc(CN(CC(F)F)C2CCN(S(C)(=O)=O)CC2)c1 ZINC000282989393 563432219 /nfs/dbraw/zinc/43/22/19/563432219.db2.gz JWOCSVWWUWKYBH-UHFFFAOYSA-N 1 0 376.469 2.576 20 0 GFADRO Cn1cc(CN2CCCN(c3nc(C(Cl)(Cl)Cl)ns3)CC2)cn1 ZINC000376222882 563433767 /nfs/dbraw/zinc/43/37/67/563433767.db2.gz SGMQZORCAFRXIP-UHFFFAOYSA-N 1 0 395.747 2.811 20 0 GFADRO COCC[NH2+]Cc1cc(I)c(Br)cc1F ZINC000308940994 563434946 /nfs/dbraw/zinc/43/49/46/563434946.db2.gz MFASSRZZDRLFNQ-UHFFFAOYSA-N 1 0 388.018 2.929 20 0 GFADRO OCCn1ncc2c1CCC[C@@H]2[NH2+]Cc1cccc(I)c1 ZINC000314036104 563438335 /nfs/dbraw/zinc/43/83/35/563438335.db2.gz YZCXQJHTANBTNW-HNNXBMFYSA-N 1 0 397.260 2.647 20 0 GFADRO C[N@H+](CCCNS(=O)(=O)c1cncc(Br)c1)C1CCCCC1 ZINC000315038898 563440045 /nfs/dbraw/zinc/44/00/45/563440045.db2.gz XYCUNWSKCITECZ-UHFFFAOYSA-N 1 0 390.347 2.777 20 0 GFADRO O=C(CNCc1cc(C2CC[NH2+]CC2)no1)Nc1cccc(Br)c1 ZINC000425897846 563439987 /nfs/dbraw/zinc/43/99/87/563439987.db2.gz WLCUUEQIITXDJQ-UHFFFAOYSA-N 1 0 393.285 2.632 20 0 GFADRO O=C(NCCc1ccc(I)s1)[C@H]1CCC[N@@H+]1C1CC1 ZINC000425953612 563440778 /nfs/dbraw/zinc/44/07/78/563440778.db2.gz SVRODAFGYLQHOF-GFCCVEGCSA-N 1 0 390.290 2.638 20 0 GFADRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)NCCCCn1cc(Br)cn1 ZINC000376523165 563445386 /nfs/dbraw/zinc/44/53/86/563445386.db2.gz RFHYLJCOKMNVFY-ZBFHGGJFSA-N 1 0 398.349 2.694 20 0 GFADRO O[C@@H](C[NH2+]C[C@H]1Cc2ccccc2O1)COc1ccc(Br)cc1 ZINC000320991677 563446901 /nfs/dbraw/zinc/44/69/01/563446901.db2.gz MRCFYTIOEOZVQZ-DOTOQJQBSA-N 1 0 378.266 2.782 20 0 GFADRO [NH3+]C[C@H]1CCCC[C@@]12NC(=O)N(Cc1cc(Br)ccc1F)C2=O ZINC000321235673 563447892 /nfs/dbraw/zinc/44/78/92/563447892.db2.gz IAXQDTQQFYGFRX-BDJLRTHQSA-N 1 0 384.249 2.528 20 0 GFADRO CC(C)c1nnc(CC[NH2+][C@H]2CCCc3ccc(S(N)(=O)=O)cc32)s1 ZINC000426299862 563448738 /nfs/dbraw/zinc/44/87/38/563448738.db2.gz ZKCHMYSMGNKYGQ-HNNXBMFYSA-N 1 0 380.539 2.519 20 0 GFADRO NC(=O)[C@@H](Cc1ccccc1)[NH2+][C@H]1CCOc2c(Br)cccc21 ZINC000283663331 563450482 /nfs/dbraw/zinc/45/04/82/563450482.db2.gz XOJJEQAFUVXXPZ-JKSUJKDBSA-N 1 0 375.266 2.959 20 0 GFADRO CN(C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1)C(=O)NCCSC(F)(F)F ZINC000376680952 563451056 /nfs/dbraw/zinc/45/10/56/563451056.db2.gz PROIVXBMOIJLCE-KBPBESRZSA-N 1 0 376.448 2.969 20 0 GFADRO O=C(c1c(F)cccc1Br)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000323599620 563451761 /nfs/dbraw/zinc/45/17/61/563451761.db2.gz YWPXYCQTYJTGKS-ZDUSSCGKSA-N 1 0 385.277 2.915 20 0 GFADRO C[NH+]1CCN(c2cccc(C(=O)N[C@@H]3CCc4sc(Cl)cc43)n2)CC1 ZINC000426532153 563453151 /nfs/dbraw/zinc/45/31/51/563453151.db2.gz VCEFEKPTYLVWGP-CYBMUJFWSA-N 1 0 376.913 2.966 20 0 GFADRO CC[C@H](NC(=O)C(=O)NC1CC[NH+](CC2CC2)CC1)c1ccc(Cl)s1 ZINC000283867201 563457613 /nfs/dbraw/zinc/45/76/13/563457613.db2.gz BTOOEYOCRDJIQZ-AWEZNQCLSA-N 1 0 383.945 2.959 20 0 GFADRO O=C([C@H]1CCC[N@@H+]1C1CC1)N1CCN(Cc2ccc(Br)cc2)CC1 ZINC000427056840 563459210 /nfs/dbraw/zinc/45/92/10/563459210.db2.gz KMBTZLBBIXSMEP-GOSISDBHSA-N 1 0 392.341 2.720 20 0 GFADRO O[C@@H]1CCOC[C@@H]1[C@H]1CCC[N@@H+]1Cc1cc2c(c(Br)c1)OCO2 ZINC000328693442 563462930 /nfs/dbraw/zinc/46/29/30/563462930.db2.gz COIMXTYXTOUGHB-BPLDGKMQSA-N 1 0 384.270 2.540 20 0 GFADRO O=S(=O)(c1ccc(C[NH2+]C(C2CCC2)C2CCC2)s1)N1CCOCC1 ZINC000328706327 563463384 /nfs/dbraw/zinc/46/33/84/563463384.db2.gz PPGTVCICEOENHL-UHFFFAOYSA-N 1 0 384.567 2.827 20 0 GFADRO COc1ccc(Cl)cc1NC(=O)CC[NH2+][C@@H]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000284083583 563463404 /nfs/dbraw/zinc/46/34/04/563463404.db2.gz LXAMXLRGGUGDCJ-ZIAGYGMSSA-N 1 0 388.917 2.623 20 0 GFADRO CC[N@H+](CCNC(=O)[C@@H](O)Cc1c(F)cccc1Cl)CCC(F)(F)F ZINC000427272493 563464264 /nfs/dbraw/zinc/46/42/64/563464264.db2.gz CUSNPPIECMLOHF-AWEZNQCLSA-N 1 0 384.801 2.773 20 0 GFADRO Ic1cccc(C[NH2+]CCCOC2CCOCC2)c1 ZINC000284109260 563464285 /nfs/dbraw/zinc/46/42/85/563464285.db2.gz WSXXVRXZNLGCTJ-UHFFFAOYSA-N 1 0 375.250 2.967 20 0 GFADRO O=C(Nc1ccccc1Br)C(=O)N1CCC([NH2+]C2CCCC2)CC1 ZINC000377240636 563468951 /nfs/dbraw/zinc/46/89/51/563468951.db2.gz DMXBUFSUWOVCND-UHFFFAOYSA-N 1 0 394.313 2.911 20 0 GFADRO Brc1ccc(-c2nnc(CN3CCCC[C@H]3Cn3ccnn3)o2)o1 ZINC000377283090 563469377 /nfs/dbraw/zinc/46/93/77/563469377.db2.gz MFYRNAHFWHBHNR-NSHDSACASA-N 1 0 393.245 2.738 20 0 GFADRO O[C@H](COc1cc(Cl)ccc1Cl)CN1CCOC[C@H]1[C@H]1CCCO1 ZINC000329048930 563471643 /nfs/dbraw/zinc/47/16/43/563471643.db2.gz GOUYZXLZJHUNQZ-CWRNSKLLSA-N 1 0 376.280 2.613 20 0 GFADRO Fc1ccc(C[NH2+][C@@H]2CCN(CCN3CCOCC3)C2)c(Cl)c1Cl ZINC000377390745 563472909 /nfs/dbraw/zinc/47/29/09/563472909.db2.gz KJHUNGKPAUTAIO-CQSZACIVSA-N 1 0 376.303 2.629 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)C(=O)N[C@@H]1CCCc2sccc21)c1cccs1 ZINC000284378882 563473118 /nfs/dbraw/zinc/47/31/18/563473118.db2.gz LZVGCPAALHILEV-ZIAGYGMSSA-N 1 0 377.535 2.722 20 0 GFADRO O=S(=O)(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccc(-c2ccc(Br)cc2)cc1 ZINC000427944560 563478917 /nfs/dbraw/zinc/47/89/17/563478917.db2.gz HPBVIKYQLABABW-FVQHAEBGSA-N 1 0 393.306 2.612 20 0 GFADRO COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N[C@H](C)CCCC[NH3+] ZINC000427934460 563479135 /nfs/dbraw/zinc/47/91/35/563479135.db2.gz VEGFHCNIDNXEBX-CHWSQXEVSA-N 1 0 378.922 2.550 20 0 GFADRO CN(Cc1cc(O)ccc1Br)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000377617138 563480990 /nfs/dbraw/zinc/48/09/90/563480990.db2.gz ADMYGPQXFDLTGV-MRXNPFEDSA-N 1 0 382.346 2.755 20 0 GFADRO C[C@]1(O)CCOC[C@H]1[C@H]1CCC[N@@H+]1Cc1nc2ccccn2c1Br ZINC000377704125 563483051 /nfs/dbraw/zinc/48/30/51/563483051.db2.gz VYHBZOFWXNDRBN-JOQOYGCGSA-N 1 0 394.313 2.849 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)c1cnc(Sc2nccn2C)c(Cl)c1 ZINC000428120991 563483281 /nfs/dbraw/zinc/48/32/81/563483281.db2.gz NPXIYKVCSXSRBY-SMDDNHRTSA-N 1 0 379.917 2.962 20 0 GFADRO COCC[C@@H](Cc1cccc(Br)c1)C(=O)NCC1CC[NH2+]CC1 ZINC000428123435 563483326 /nfs/dbraw/zinc/48/33/26/563483326.db2.gz WDTFAMFSXFOYAJ-INIZCTEOSA-N 1 0 383.330 2.760 20 0 GFADRO Cc1nn(C)c(C)c1C[C@@H](C)[NH2+][C@@H](C)Cn1cc(Br)ccc1=O ZINC000428218551 563485414 /nfs/dbraw/zinc/48/54/14/563485414.db2.gz MPCJXXWDOFAPGU-NEPJUHHUSA-N 1 0 381.318 2.570 20 0 GFADRO O=S(=O)(CCC(F)(F)F)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000377767728 563485576 /nfs/dbraw/zinc/48/55/76/563485576.db2.gz IOBURAFDEZKDNX-HOTGVXAUSA-N 1 0 376.444 2.723 20 0 GFADRO C[N@@H+]1CCC[C@@H](N2CCN(CC(=O)Nc3c(Cl)cccc3Cl)CC2)C1 ZINC000377746279 563485729 /nfs/dbraw/zinc/48/57/29/563485729.db2.gz PTLSHAOAGBOEOH-CQSZACIVSA-N 1 0 385.339 2.644 20 0 GFADRO CCCOc1c(Br)cc(C(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)cc1OC ZINC000377746918 563485795 /nfs/dbraw/zinc/48/57/95/563485795.db2.gz QASHOCYRWOZATK-JSGCOSHPSA-N 1 0 397.313 2.928 20 0 GFADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]C1CCN(c2ccccn2)CC1 ZINC000428248484 563486474 /nfs/dbraw/zinc/48/64/74/563486474.db2.gz LTFHFLWFUIWIRS-CQSZACIVSA-N 1 0 391.313 2.653 20 0 GFADRO O=S1(=O)CCCN1C1CCC([NH2+]Cc2ccc(Br)s2)CC1 ZINC000377962157 563492624 /nfs/dbraw/zinc/49/26/24/563492624.db2.gz SMGHWWVIHLIIGN-UHFFFAOYSA-N 1 0 393.372 2.947 20 0 GFADRO CS(=O)(=O)[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CSCCN2Cc2ccccc2)C1 ZINC000284874705 563493430 /nfs/dbraw/zinc/49/34/30/563493430.db2.gz BBRDRDRCRGYCCN-GUDVDZBRSA-N 1 0 382.595 2.549 20 0 GFADRO COc1cc(C[N@@H+]2CC[C@@H](C(=O)NCC(F)(F)F)C2)cc(Cl)c1OC ZINC000428487333 563494190 /nfs/dbraw/zinc/49/41/90/563494190.db2.gz SNPDZDVMRXLZRP-LLVKDONJSA-N 1 0 380.794 2.858 20 0 GFADRO Cn1nnc2cc(C[NH2+]C[C@H](CO)Cc3cccc(Br)c3)ccc21 ZINC000428537116 563494800 /nfs/dbraw/zinc/49/48/00/563494800.db2.gz MVXMCYACNVIIKL-OAHLLOKOSA-N 1 0 389.297 2.672 20 0 GFADRO O=C(NC1CC[NH2+]CC1)[C@@H]1CCCN1c1ncc(C(F)(F)F)cc1Cl ZINC000378183949 563498386 /nfs/dbraw/zinc/49/83/86/563498386.db2.gz QOQYGXHFXFJCRQ-ZDUSSCGKSA-N 1 0 376.810 2.591 20 0 GFADRO CCNC(=O)C(C)(C)CNC(=O)C1CC[NH+](Cc2ccc(Cl)s2)CC1 ZINC000378219755 563499014 /nfs/dbraw/zinc/49/90/14/563499014.db2.gz IXYROGMIOWORFG-UHFFFAOYSA-N 1 0 385.961 2.892 20 0 GFADRO COc1ccc(Br)cc1CC(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000378234866 563499806 /nfs/dbraw/zinc/49/98/06/563499806.db2.gz MRSNYIVCMJRCFW-CJNGLKHVSA-N 1 0 381.314 2.991 20 0 GFADRO C[C@H]1CN(C(=O)c2cc(F)ccc2Br)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000378321179 563502700 /nfs/dbraw/zinc/50/27/00/563502700.db2.gz WVNXZYHHPXJDHL-SUMWQHHRSA-N 1 0 398.320 2.686 20 0 GFADRO Cn1cc([C@H](O)C[C@@H]2CCC[N@@H+]2C[C@@H](O)c2cccc(Br)c2)cn1 ZINC000378361905 563504742 /nfs/dbraw/zinc/50/47/42/563504742.db2.gz UDNQEXADYYBCIP-RCCFBDPRSA-N 1 0 394.313 2.804 20 0 GFADRO O=C(CCOc1cccc(Br)c1)Nc1cnc2c(c1)C[NH2+]CC2 ZINC000378400294 563505381 /nfs/dbraw/zinc/50/53/81/563505381.db2.gz HUCBNUWZYOVFSV-UHFFFAOYSA-N 1 0 376.254 2.897 20 0 GFADRO COc1cc(Br)cc(C)c1NC(=O)N1CC[C@@H]2OCCN(C)[C@H]2C1 ZINC000285230825 563509633 /nfs/dbraw/zinc/50/96/33/563509633.db2.gz NGCAVDCQJGFJLW-KBPBESRZSA-N 1 0 398.301 2.703 20 0 GFADRO CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+]CCc2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000285239755 563510370 /nfs/dbraw/zinc/51/03/70/563510370.db2.gz PNYSFZKYAHUKOP-LSDHHAIUSA-N 1 0 383.901 2.878 20 0 GFADRO CN(C(=O)c1cc(Br)cnc1OCC1CC1)C1CC[NH+](C)CC1 ZINC000285236105 563510554 /nfs/dbraw/zinc/51/05/54/563510554.db2.gz TYBIOBVTOSCSAZ-UHFFFAOYSA-N 1 0 382.302 2.799 20 0 GFADRO CC(C)[C@H]([NH3+])CNC(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000429152421 563510891 /nfs/dbraw/zinc/51/08/91/563510891.db2.gz AOZZLRQIDNLEDK-CZUORRHYSA-N 1 0 386.323 2.945 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCCC[C@H]1NS(C)(=O)=O)c1ccccc1Br ZINC000330596787 563512512 /nfs/dbraw/zinc/51/25/12/563512512.db2.gz CMIDXQJPEZUNCZ-NILFDRSVSA-N 1 0 375.332 2.960 20 0 GFADRO COC(=O)c1sccc1S(=O)(=O)NCC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000330601708 563513444 /nfs/dbraw/zinc/51/34/44/563513444.db2.gz GSYQSOAZTAKPRV-STQMWFEESA-N 1 0 388.555 2.570 20 0 GFADRO Cc1c(Br)cccc1C[NH2+][C@@H]1CCCC[C@H]1NS(C)(=O)=O ZINC000330615008 563514197 /nfs/dbraw/zinc/51/41/97/563514197.db2.gz UCBZGWAHRYPCBG-HUUCEWRRSA-N 1 0 375.332 2.708 20 0 GFADRO CS(=O)(=O)[C@H]1CCC[C@H]([NH2+]Cc2cc(Br)cc3c2OCC3)C1 ZINC000378904369 563514369 /nfs/dbraw/zinc/51/43/69/563514369.db2.gz JQGIDTBBPFOPEB-GJZGRUSLSA-N 1 0 388.327 2.829 20 0 GFADRO C[C@H]1CN(C(=O)c2cccn2-c2ccc(I)cc2)CC[NH2+]1 ZINC000429348132 563515484 /nfs/dbraw/zinc/51/54/84/563515484.db2.gz VYAAQEAIHJTALX-LBPRGKRZSA-N 1 0 395.244 2.516 20 0 GFADRO Ic1ccc(C[NH2+]CCCOC[C@@H]2CCCO2)cc1 ZINC000381633078 563516611 /nfs/dbraw/zinc/51/66/11/563516611.db2.gz AELXYOXYEWNDIZ-HNNXBMFYSA-N 1 0 375.250 2.967 20 0 GFADRO Cc1nc(-c2cc([C@H](C)[NH2+]CCNS(=O)(=O)NC(C)C)cs2)cs1 ZINC000429446940 563516860 /nfs/dbraw/zinc/51/68/60/563516860.db2.gz HCHDBWCTGNGSEA-NSHDSACASA-N 1 0 388.584 2.663 20 0 GFADRO C[C@@H]1CC[N@H+](C[C@@H](O)COc2ccc(Cl)cc2Br)C[C@@H]1O ZINC000330668325 563516925 /nfs/dbraw/zinc/51/69/25/563516925.db2.gz XWTPWFDBCGRKAM-QKCSRTOESA-N 1 0 378.694 2.545 20 0 GFADRO CC(C)NS(=O)(=O)NCC[NH2+][C@@H](C)c1ccc(SCC(F)(F)F)cc1 ZINC000429431825 563517186 /nfs/dbraw/zinc/51/71/86/563517186.db2.gz WOMNXLOAEYKHTM-LBPRGKRZSA-N 1 0 399.504 2.824 20 0 GFADRO COc1cc(Cl)c(S(=O)(=O)N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)cc1OC ZINC000285389086 563518061 /nfs/dbraw/zinc/51/80/61/563518061.db2.gz SGIMVYSWTSCQIG-STQMWFEESA-N 1 0 388.917 2.605 20 0 GFADRO CC[N@@H+]1CC[C@@H](CNC(=O)Nc2cc(Br)c(OC)cc2OC)C1 ZINC000429660890 563520571 /nfs/dbraw/zinc/52/05/71/563520571.db2.gz OGJCNFAXNRFJFY-NSHDSACASA-N 1 0 386.290 2.930 20 0 GFADRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)c1ccc(Br)cc1Br ZINC000389741738 563521883 /nfs/dbraw/zinc/52/18/83/563521883.db2.gz ZZCQHDSHMBFJNA-QPUJVOFHSA-N 1 0 376.092 2.939 20 0 GFADRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)CCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000285472122 563522972 /nfs/dbraw/zinc/52/29/72/563522972.db2.gz KQYNQTVZIMTQIA-HNNXBMFYSA-N 1 0 386.945 2.694 20 0 GFADRO COc1ccc([C@@H](C)[NH2+]CCn2cc(Br)cn2)cc1NC(C)=O ZINC000285537927 563525863 /nfs/dbraw/zinc/52/58/63/563525863.db2.gz DBCQYCRYFYBOOI-LLVKDONJSA-N 1 0 381.274 2.963 20 0 GFADRO CC[C@](C)([NH3+])c1cn(CC(=O)Nc2ccc(Br)cc2Cl)nn1 ZINC000395268621 563530649 /nfs/dbraw/zinc/53/06/49/563530649.db2.gz PGPWHADONPZSQS-AWEZNQCLSA-N 1 0 386.681 2.917 20 0 GFADRO CCOC(=O)C[C@@H](NC(=O)C[NH2+]CC1CC1)c1ccc(Br)cc1 ZINC000430028011 563531314 /nfs/dbraw/zinc/53/13/14/563531314.db2.gz OXZQIAQHVBRBBP-OAHLLOKOSA-N 1 0 383.286 2.559 20 0 GFADRO COc1ccc(Br)c(S(=O)(=O)NCCC[NH+]2CCCCC2)c1 ZINC000331018161 563531720 /nfs/dbraw/zinc/53/17/20/563531720.db2.gz ICVCFAGTNOAXLU-UHFFFAOYSA-N 1 0 391.331 2.612 20 0 GFADRO CN(C)S(=O)(=O)[C@H]1CCCN(Cc2csc(-c3ccccc3F)n2)C1 ZINC000285692608 563532255 /nfs/dbraw/zinc/53/22/55/563532255.db2.gz RVEHEMYMRYUECU-AWEZNQCLSA-N 1 0 383.514 2.805 20 0 GFADRO CN(C[C@@H]1CCCN(Cc2cc(F)cc(Br)c2)C1)S(C)(=O)=O ZINC000285697079 563532443 /nfs/dbraw/zinc/53/24/43/563532443.db2.gz SDEKMGAFCCOJKZ-LBPRGKRZSA-N 1 0 393.322 2.692 20 0 GFADRO C[C@H]([NH2+]C[C@@H]1CNC(=O)C1)c1ccc(Br)cc1Br ZINC000398399745 563532543 /nfs/dbraw/zinc/53/25/43/563532543.db2.gz MYZIPUOALYDXAN-DTWKUNHWSA-N 1 0 376.092 2.998 20 0 GFADRO c1ccc(C[N@@H+]2CCCO[C@H](CSc3nnc(NC4CC4)s3)C2)cc1 ZINC000430096543 563532611 /nfs/dbraw/zinc/53/26/11/563532611.db2.gz GPNTYFNKFAGYMB-INIZCTEOSA-N 1 0 376.551 3.496 20 0 GFADRO c1ccc(C[N@@H+]2CCCO[C@@H](CSc3nnc(NC4CC4)s3)C2)cc1 ZINC000430096546 563532786 /nfs/dbraw/zinc/53/27/86/563532786.db2.gz GPNTYFNKFAGYMB-MRXNPFEDSA-N 1 0 376.551 3.496 20 0 GFADRO C[C@H]1C[C@H](N2CCOCC2)C[N@@H+]1CCC(=O)Nc1ccc(Br)cc1 ZINC000285813047 563538124 /nfs/dbraw/zinc/53/81/24/563538124.db2.gz GLWYIJFQMKBHAX-YOEHRIQHSA-N 1 0 396.329 2.573 20 0 GFADRO NC(=O)[C@@H](c1ccc(Br)cc1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000331180500 563538553 /nfs/dbraw/zinc/53/85/53/563538553.db2.gz QYXDZXDCLZOHDB-CZUORRHYSA-N 1 0 382.302 2.680 20 0 GFADRO CC(C)N1CC[NH+](C2CCN(C(=O)C(=O)c3ccc(Cl)s3)CC2)CC1 ZINC000430282229 563540610 /nfs/dbraw/zinc/54/06/10/563540610.db2.gz UURUXJSFANEVDJ-UHFFFAOYSA-N 1 0 383.945 2.601 20 0 GFADRO Cc1[nH]c(=O)c(Br)cc1C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000285898733 563540887 /nfs/dbraw/zinc/54/08/87/563540887.db2.gz YARRADAJESDKBM-BLLLJJGKSA-N 1 0 394.313 2.947 20 0 GFADRO CC(C)(O)[C@H]1CCC[N@@H+]1C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000331265714 563542799 /nfs/dbraw/zinc/54/27/99/563542799.db2.gz PPUIGTONXNMOMK-UKRRQHHQSA-N 1 0 376.266 2.563 20 0 GFADRO COC(=O)c1csc([C@H](C)[NH2+]Cc2ccc(S(=O)(=O)N(C)C)cc2)c1 ZINC000285960780 563543592 /nfs/dbraw/zinc/54/35/92/563543592.db2.gz GQFVZBSASMJDGO-LBPRGKRZSA-N 1 0 382.507 2.636 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCCN(Cc2nc(Cc3cccc(Br)c3)no2)C1 ZINC000430550485 563544941 /nfs/dbraw/zinc/54/49/41/563544941.db2.gz GLMDDCCZDCZRSB-JSGCOSHPSA-N 1 0 379.302 2.982 20 0 GFADRO C[NH2+]C[C@H]1CCCN(Cc2nc(Cc3cccc(Br)c3)no2)C1 ZINC000430600311 563546432 /nfs/dbraw/zinc/54/64/32/563546432.db2.gz HJNIKXPPEWBNOX-CQSZACIVSA-N 1 0 379.302 2.854 20 0 GFADRO CC1(C)CCC[NH2+][C@H]1CNC(=O)c1c(F)cccc1I ZINC000430636907 563546911 /nfs/dbraw/zinc/54/69/11/563546911.db2.gz ZUOKJHSFFSJAPM-LBPRGKRZSA-N 1 0 390.240 2.938 20 0 GFADRO C[C@H]([NH2+][C@@H](C)[C@@H]1CCCOC1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430738560 563548194 /nfs/dbraw/zinc/54/81/94/563548194.db2.gz FIZBRVNEQAWTPB-GMXVVIOVSA-N 1 0 391.331 2.562 20 0 GFADRO C[NH2+]CC1CCN(Cc2nc(Cc3cccc(Br)c3)no2)CC1 ZINC000430942790 563550182 /nfs/dbraw/zinc/55/01/82/563550182.db2.gz MYYWBPCFTKKYLI-UHFFFAOYSA-N 1 0 379.302 2.854 20 0 GFADRO C[C@@H]1C[C@H](NS(=O)(=O)c2ccc(OCC(F)(F)F)cc2)C[N@@H+]1C1CC1 ZINC000331480106 563550364 /nfs/dbraw/zinc/55/03/64/563550364.db2.gz JLYKUCBITTXQQN-NEPJUHHUSA-N 1 0 378.416 2.531 20 0 GFADRO Cc1cc(NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)ncc1Br ZINC000286275477 563554307 /nfs/dbraw/zinc/55/43/07/563554307.db2.gz GNNAOEYVTJIFTG-AGUYFDCRSA-N 1 0 381.318 2.648 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S(=O)(=O)CC[NH2+][C@H]1CCC[C@H]1CC ZINC000286283094 563554781 /nfs/dbraw/zinc/55/47/81/563554781.db2.gz UQVNTHYVQSZLDN-CVEARBPZSA-N 1 0 387.567 2.812 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(S(=O)(=O)c2cc(Cl)cnc2N)C1 ZINC000408436829 563555879 /nfs/dbraw/zinc/55/58/79/563555879.db2.gz KCVAAVCWWHHMTI-ZIAGYGMSSA-N 1 0 386.949 2.592 20 0 GFADRO [NH3+]CC[C@@H]1CCCCN1C(=O)[C@@H]1CCN(c2ccccc2Br)C1=O ZINC000286322725 563556712 /nfs/dbraw/zinc/55/67/12/563556712.db2.gz YOMCXINFRIRADS-KBPBESRZSA-N 1 0 394.313 2.532 20 0 GFADRO C[NH+](C)CC[C@@](C)(O)CNC(=O)Cc1csc(-c2ccc(Cl)s2)n1 ZINC000431391987 563559298 /nfs/dbraw/zinc/55/92/98/563559298.db2.gz XFIRVDPDPXJKIR-MRXNPFEDSA-N 1 0 387.958 2.886 20 0 GFADRO O=C1[C@H](N2CC[C@H](C(F)(F)F)[C@H](CO)C2)CCN1c1ccc(Cl)cc1 ZINC000286420511 563559772 /nfs/dbraw/zinc/55/97/72/563559772.db2.gz IIIOTAJTDOHBKQ-TUKIKUTGSA-N 1 0 376.806 2.938 20 0 GFADRO O=C(CC[N@@H+]1CC[C@H](C(F)(F)F)[C@@H](CO)C1)NCc1ccccc1Cl ZINC000286503795 563562548 /nfs/dbraw/zinc/56/25/48/563562548.db2.gz MMRQNDKBKNBVEA-KGLIPLIRSA-N 1 0 378.822 2.839 20 0 GFADRO Cc1cc(C)c(S(=O)(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)s1 ZINC000431556944 563562867 /nfs/dbraw/zinc/56/28/67/563562867.db2.gz LIDMAIZLHSSAPF-UHFFFAOYSA-N 1 0 386.583 2.878 20 0 GFADRO O=C(NC1CC[NH2+]CC1)N1CCO[C@@H](c2cc(F)c(Cl)cc2Cl)C1 ZINC000331829842 563563107 /nfs/dbraw/zinc/56/31/07/563563107.db2.gz JKNQXAHACWSNQF-OAHLLOKOSA-N 1 0 376.259 2.967 20 0 GFADRO O=C(Nc1cc(Cl)cc(Cl)c1)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000331820024 563563429 /nfs/dbraw/zinc/56/34/29/563563429.db2.gz PWDDQDCWALFTFK-GFCCVEGCSA-N 1 0 385.295 2.669 20 0 GFADRO C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NC[C@H](O)C[NH+]1CCC(C)CC1 ZINC000409711893 563569271 /nfs/dbraw/zinc/56/92/71/563569271.db2.gz MJOFDAUYAPPJNZ-HIFRSBDPSA-N 1 0 389.323 2.970 20 0 GFADRO C[C@@H]1CCC[N@H+](CCNC(=O)c2cc(Br)c3c(c2)OCCO3)C1 ZINC000331980951 563569564 /nfs/dbraw/zinc/56/95/64/563569564.db2.gz FMAWMSBLAOVHQD-GFCCVEGCSA-N 1 0 383.286 2.682 20 0 GFADRO Cc1c([C@H]2[C@H]([NH2+]Cc3cc(F)cc(Br)c3)CC(=O)N2C)cnn1C ZINC000332022881 563571817 /nfs/dbraw/zinc/57/18/17/563571817.db2.gz QHXXEMRLJADPKS-WBVHZDCISA-N 1 0 395.276 2.692 20 0 GFADRO COC(=O)c1cccc(NC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)c1Br ZINC000332047360 563572900 /nfs/dbraw/zinc/57/29/00/563572900.db2.gz MBVNZYPPPMLGCO-TZMCWYRMSA-N 1 0 396.285 2.984 20 0 GFADRO O=C(CC[N@H+]1CCC[C@](F)(CO)C1)Nc1ccc(Br)cc1F ZINC000286802410 563575357 /nfs/dbraw/zinc/57/53/57/563575357.db2.gz IZGBYWMBMWEKJA-OAHLLOKOSA-N 1 0 377.229 2.713 20 0 GFADRO CNC(=O)[C@H]1C[N@@H+]([C@@H](C)c2ccc(Br)cc2)C[C@@H]1c1cnn(C)c1 ZINC000286795159 563575617 /nfs/dbraw/zinc/57/56/17/563575617.db2.gz PHPCGPPJCIPDIQ-VUCTXSBTSA-N 1 0 391.313 2.705 20 0 GFADRO CCC[N@@H+]1CCC[C@H]1C(=O)NCc1cc(Br)c2c(c1)OCCO2 ZINC000332110112 563577142 /nfs/dbraw/zinc/57/71/42/563577142.db2.gz FCPWKTVYMCVMLY-AWEZNQCLSA-N 1 0 383.286 2.711 20 0 GFADRO O=S(=O)(c1cccs1)N1CCC[C@@H]([NH2+][C@@H]2CCO[C@H](C(F)(F)F)C2)C1 ZINC000286864993 563578251 /nfs/dbraw/zinc/57/82/51/563578251.db2.gz BKBMWXAOVFAFDE-UPJWGTAASA-N 1 0 398.472 2.601 20 0 GFADRO Cc1cc(CNC(=O)C[NH+]2CCC(C)CC2)ccc1I ZINC000410034013 563579269 /nfs/dbraw/zinc/57/92/69/563579269.db2.gz NHOLDQBNPOPMCM-UHFFFAOYSA-N 1 0 386.277 2.948 20 0 GFADRO O=S1(=O)CCC[C@H](C[NH2+]C2CCN(Cc3c(F)cccc3Cl)CC2)C1 ZINC000286973868 563582479 /nfs/dbraw/zinc/58/24/79/563582479.db2.gz IRABFXHULWLKAN-CQSZACIVSA-N 1 0 388.936 2.858 20 0 GFADRO C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)c1cc(=O)[nH]c2c(Br)cccc12 ZINC000332226921 563585186 /nfs/dbraw/zinc/58/51/86/563585186.db2.gz OJALDDHCEHNZRF-WDEREUQCSA-N 1 0 378.270 2.868 20 0 GFADRO COc1ccc([C@H](C)[NH2+]C[C@@H]2CCCS(=O)(=O)C2)c(Br)c1 ZINC000287212093 563591619 /nfs/dbraw/zinc/59/16/19/563591619.db2.gz WZFYKUASAQAVKP-RYUDHWBXSA-N 1 0 376.316 2.933 20 0 GFADRO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000410499892 563592056 /nfs/dbraw/zinc/59/20/56/563592056.db2.gz UXMNYTSIGFAAEV-MRXNPFEDSA-N 1 0 384.307 2.647 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)N[C@H]1COc2cc(F)c(Br)cc21 ZINC000332322456 563592877 /nfs/dbraw/zinc/59/28/77/563592877.db2.gz ZXYJWZOXQSFAMS-QCZZGDTMSA-N 1 0 386.265 2.933 20 0 GFADRO CCn1cc(Br)cc1C(=O)N1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000332408071 563597400 /nfs/dbraw/zinc/59/74/00/563597400.db2.gz DECBKDVBYJDDKB-HOCLYGCPSA-N 1 0 384.318 2.629 20 0 GFADRO C[N@@H+](C[C@H](O)Cc1ccccc1)C[C@H](O)COc1ccc(Br)cc1 ZINC000433045087 563600870 /nfs/dbraw/zinc/60/08/70/563600870.db2.gz DEKFLDSUUQMCRO-MSOLQXFVSA-N 1 0 394.309 2.724 20 0 GFADRO COC(=O)c1coc(C[NH2+]C[C@H](CO)Cc2ccc(Br)cc2)c1 ZINC000433039384 563601091 /nfs/dbraw/zinc/60/10/91/563601091.db2.gz LRMCOFBVIXLWCT-CYBMUJFWSA-N 1 0 382.254 2.770 20 0 GFADRO C[N@H+](CCOc1ccc(S(N)(=O)=O)cc1)CCSc1ccc(F)cc1 ZINC000433048738 563602160 /nfs/dbraw/zinc/60/21/60/563602160.db2.gz ONGFIVVDGUIUBT-UHFFFAOYSA-N 1 0 384.498 2.576 20 0 GFADRO C[C@H]1CN2CCCC[C@@H]2CN1C(=O)C(=O)Nc1ccc(F)cc1Br ZINC000332515603 563602597 /nfs/dbraw/zinc/60/25/97/563602597.db2.gz WRYFVXPGXHSCSA-WCQYABFASA-N 1 0 398.276 2.612 20 0 GFADRO Cc1nc(NC(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)ccc1Br ZINC000433122329 563604211 /nfs/dbraw/zinc/60/42/11/563604211.db2.gz QBFYGTPFKBKEQG-LBPRGKRZSA-N 1 0 385.306 2.775 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)C[N@H+]1CC[C@H](C)[C@@H]1C ZINC000332574079 563604720 /nfs/dbraw/zinc/60/47/20/563604720.db2.gz XQNNFBVBMDCUAL-JSGCOSHPSA-N 1 0 396.329 2.885 20 0 GFADRO Cc1cc(NC(=O)C(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)c(F)cc1Br ZINC000332587997 563605595 /nfs/dbraw/zinc/60/55/95/563605595.db2.gz KWSLZPREYVYEQZ-RYUDHWBXSA-N 1 0 398.276 2.530 20 0 GFADRO CNC(=O)c1cccc(NC(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)c1Br ZINC000287525452 563606054 /nfs/dbraw/zinc/60/60/54/563606054.db2.gz VRECQSFYRWAGDL-JSGCOSHPSA-N 1 0 395.301 2.557 20 0 GFADRO C[C@H]1CN(c2ccc(Cl)c(F)c2)CC[N@@H+]1C[C@@H](O)COCC(F)(F)F ZINC000433204500 563606606 /nfs/dbraw/zinc/60/66/06/563606606.db2.gz HNSJLSFVUMKQJV-WCQYABFASA-N 1 0 384.801 2.929 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)CC[N@@H+]1C ZINC000332627211 563608237 /nfs/dbraw/zinc/60/82/37/563608237.db2.gz GEULUTAKYHLDTH-BZPMIXESSA-N 1 0 384.307 2.945 20 0 GFADRO O=C(CC[N@@H+]1CC[C@@H](C(=O)N2CCCC2)C1)Nc1ccc(Br)cc1 ZINC000287604217 563609825 /nfs/dbraw/zinc/60/98/25/563609825.db2.gz YYEIEVKFURCUQP-CQSZACIVSA-N 1 0 394.313 2.722 20 0 GFADRO C[C@H]1CCN(C(=O)Nc2ccc3nccnc3c2Br)[C@H](C[NH3+])C1 ZINC000332657803 563610270 /nfs/dbraw/zinc/61/02/70/563610270.db2.gz ZSYSXHJIIXGLCM-QWRGUYRKSA-N 1 0 378.274 2.983 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)N[C@@H]1CCN(c2ccccc2Br)C1 ZINC000332651554 563610333 /nfs/dbraw/zinc/61/03/33/563610333.db2.gz ILBUZYXVDJIQCL-LZWOXQAQSA-N 1 0 395.345 2.939 20 0 GFADRO CSc1cc(NC(=O)C(=O)NC[C@@]2([NH+](C)C)CCSC2)ccc1Cl ZINC000411271768 563612823 /nfs/dbraw/zinc/61/28/23/563612823.db2.gz FPCQIFOOHRAGON-INIZCTEOSA-N 1 0 387.958 2.554 20 0 GFADRO C[C@H]1C[C@@H](NC(=O)c2ccn(-c3cccc(Br)c3)n2)CC[N@@H+]1C ZINC000332714558 563613172 /nfs/dbraw/zinc/61/31/72/563613172.db2.gz ZKSSKFLHOXYMNK-JSGCOSHPSA-N 1 0 377.286 2.847 20 0 GFADRO Cc1cc(NC(=O)N[C@H](C)CN2CC[NH+](C)CC2)c(F)cc1Br ZINC000287715751 563614420 /nfs/dbraw/zinc/61/44/20/563614420.db2.gz UPOMIZBUBOUOEM-GFCCVEGCSA-N 1 0 387.297 2.654 20 0 GFADRO Cc1cc(NC(=O)N[C@@H](C)CN2CC[NH+](C)CC2)c(F)cc1Br ZINC000287715755 563614535 /nfs/dbraw/zinc/61/45/35/563614535.db2.gz UPOMIZBUBOUOEM-LBPRGKRZSA-N 1 0 387.297 2.654 20 0 GFADRO C[N@H+](Cc1cccc(Br)c1Cl)C1CCN(S(C)(=O)=O)CC1 ZINC000411322915 563614563 /nfs/dbraw/zinc/61/45/63/563614563.db2.gz WUPHTPLNYOBUEQ-UHFFFAOYSA-N 1 0 395.750 2.958 20 0 GFADRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)S(=O)(=O)c1c(F)cccc1OC(F)(F)F ZINC000287719107 563615154 /nfs/dbraw/zinc/61/51/54/563615154.db2.gz GKACNXNDDQLONC-PWSUYJOCSA-N 1 0 384.395 2.685 20 0 GFADRO CS[C@@H]1C[N@H+](CCC(=O)Nc2ccc(Br)cc2)C[C@H]1N(C)C ZINC000411426312 563618983 /nfs/dbraw/zinc/61/89/83/563618983.db2.gz PKSDDTCDDFPUOA-HUUCEWRRSA-N 1 0 386.359 2.755 20 0 GFADRO Cc1ncc(Br)cc1NC(=O)N1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000333100285 563620603 /nfs/dbraw/zinc/62/06/03/563620603.db2.gz AQWDHXBKPPOEQN-HOCLYGCPSA-N 1 0 397.317 2.903 20 0 GFADRO Cc1nn(C)c(NC(=O)N2CC[NH2+][C@H](C)C2)c1-c1ccc(Br)cc1 ZINC000333153822 563622157 /nfs/dbraw/zinc/62/21/57/563622157.db2.gz MSIMDWCFXYCLMR-LLVKDONJSA-N 1 0 392.301 2.984 20 0 GFADRO Cc1cc(CCC(=O)NC[C@@H](O)C[NH+]2CCC(C)CC2)ccc1Br ZINC000433975911 563623632 /nfs/dbraw/zinc/62/36/32/563623632.db2.gz JEOAGQIWGVEGTK-QGZVFWFLSA-N 1 0 397.357 2.899 20 0 GFADRO COCC[C@@H](NC(=O)NC[C@@](C)(O)C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000287948594 563623716 /nfs/dbraw/zinc/62/37/16/563623716.db2.gz UXGYCFPXQOYEHB-NVXWUHKLSA-N 1 0 392.327 2.683 20 0 GFADRO [NH3+][C@H]1CCCO[C@@H]1C1CCN(C(=O)Nc2cc(Br)ccn2)CC1 ZINC000333249581 563625542 /nfs/dbraw/zinc/62/55/42/563625542.db2.gz CFSVIVNQIKDLNR-DZGCQCFKSA-N 1 0 383.290 2.594 20 0 GFADRO O=S(=O)(c1csc(-c2ccc(Cl)cc2)n1)N1CCC2(CC[NH2+]2)CC1 ZINC000333264725 563626314 /nfs/dbraw/zinc/62/63/14/563626314.db2.gz JIHTZWPZLWKWEX-UHFFFAOYSA-N 1 0 383.926 2.980 20 0 GFADRO [NH3+][C@H]1CCCO[C@H]1C1CCN(C(=O)Cc2cc(F)ccc2Br)CC1 ZINC000333275735 563626658 /nfs/dbraw/zinc/62/66/58/563626658.db2.gz LKFZNLJDSMWTHK-WMZOPIPTSA-N 1 0 399.304 2.876 20 0 GFADRO COCC[C@]1([NH2+]CCC(=O)Nc2ccc(Br)cc2F)CCOC1 ZINC000411640219 563627708 /nfs/dbraw/zinc/62/77/08/563627708.db2.gz KBPOSEJCZHZVOE-INIZCTEOSA-N 1 0 389.265 2.702 20 0 GFADRO Cc1nc2cc(Br)cc(NC(=O)N3C[C@H]4CC[NH2+]C[C@H]4C3)c2o1 ZINC000333318827 563628104 /nfs/dbraw/zinc/62/81/04/563628104.db2.gz MQZWFLYBJVPMGM-MNOVXSKESA-N 1 0 379.258 2.972 20 0 GFADRO CC(C)[NH+]1CCC(NC(=O)CN[C@@H](CO)c2c(Cl)cccc2Cl)CC1 ZINC000411662351 563628071 /nfs/dbraw/zinc/62/80/71/563628071.db2.gz NMILULBNOMJAKL-INIZCTEOSA-N 1 0 388.339 2.605 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)NCC[C@H]2CCC[N@@H+](C)C2)c(Br)c1 ZINC000411673712 563629056 /nfs/dbraw/zinc/62/90/56/563629056.db2.gz OICLZBJOCWUKIG-CQSZACIVSA-N 1 0 396.329 2.853 20 0 GFADRO C[C@H]1CC2(CN1S(=O)(=O)c1csc(-c3ccccc3)n1)CC[NH2+]CC2 ZINC000333368094 563629545 /nfs/dbraw/zinc/62/95/45/563629545.db2.gz FCIYGTMQCQKFIM-AWEZNQCLSA-N 1 0 377.535 2.963 20 0 GFADRO O=C(N[C@H](c1cncc(Br)c1)C1CC1)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000333472170 563633511 /nfs/dbraw/zinc/63/35/11/563633511.db2.gz ALEQDEYTAMMKJP-BJJXKVORSA-N 1 0 379.302 2.546 20 0 GFADRO CC1(c2cccc(Br)c2)CCN(C(=O)NC[C@H]2C[NH2+]CCO2)CC1 ZINC000333484734 563634058 /nfs/dbraw/zinc/63/40/58/563634058.db2.gz FZKVACWIRKBNTN-MRXNPFEDSA-N 1 0 396.329 2.501 20 0 GFADRO COc1ccc(Br)cc1C(=O)CCC(=O)N1CC[NH2+][C@H](C)[C@@H]1C ZINC000434673589 563634525 /nfs/dbraw/zinc/63/45/25/563634525.db2.gz RJBRUGAYQKBQNO-NEPJUHHUSA-N 1 0 383.286 2.629 20 0 GFADRO O=C(N[C@@H]1CCC[NH2+]C1)N1CCO[C@H](c2cc(F)c(Cl)cc2Cl)C1 ZINC000333637651 563637372 /nfs/dbraw/zinc/63/73/72/563637372.db2.gz HQAADEGHCJLZIX-BMIGLBTASA-N 1 0 376.259 2.967 20 0 GFADRO CC[N@H+](CCNC(=O)c1ccc(I)cc1NC)C1CC1 ZINC000411867570 563638409 /nfs/dbraw/zinc/63/84/09/563638409.db2.gz JHSLLURWQICRPV-UHFFFAOYSA-N 1 0 387.265 2.547 20 0 GFADRO [NH3+][C@@H]1CCO[C@H](C2CCN(S(=O)(=O)c3cccc(Cl)c3Cl)CC2)C1 ZINC000333656993 563638673 /nfs/dbraw/zinc/63/86/73/563638673.db2.gz KWGNPLALQVOHIX-OCCSQVGLSA-N 1 0 393.336 2.900 20 0 GFADRO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(S(=O)(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000333719807 563639665 /nfs/dbraw/zinc/63/96/65/563639665.db2.gz UKEMIIIBIVWBQO-HZPDHXFCSA-N 1 0 393.336 2.900 20 0 GFADRO O=C(N[C@@H](c1cncc(Br)c1)C1CC1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000333750500 563640981 /nfs/dbraw/zinc/64/09/81/563640981.db2.gz JYOIIMOYITVZEH-OWCLPIDISA-N 1 0 379.302 2.831 20 0 GFADRO Brc1ccc2c(c1)OCCC[C@@H]2[NH2+][C@H]1CCc2nnnn2CC1 ZINC000333781650 563641846 /nfs/dbraw/zinc/64/18/46/563641846.db2.gz UPUMGRWLHYCCHB-JSGCOSHPSA-N 1 0 378.274 2.644 20 0 GFADRO C[C@H](NC(=O)N[C@H]1COc2cc(F)c(Br)cc21)[C@@H]1CCC[NH2+]C1 ZINC000333845100 563643135 /nfs/dbraw/zinc/64/31/35/563643135.db2.gz VZQKNJLEYCOREW-RBZYPMLTSA-N 1 0 386.265 2.709 20 0 GFADRO NC(=O)[C@@]1(c2ccccc2)CC[N@H+](CCOc2ccc(Br)cc2)C1 ZINC000411971115 563643462 /nfs/dbraw/zinc/64/34/62/563643462.db2.gz OFMBWTQERXNSJO-IBGZPJMESA-N 1 0 389.293 2.957 20 0 GFADRO C[C@H]1CS(=O)(=O)C[C@H]1NCc1cc(Br)ccc1OC(F)F ZINC000288462136 563643923 /nfs/dbraw/zinc/64/39/23/563643923.db2.gz DYWJXTHURZOOKD-GZMMTYOYSA-N 1 0 384.242 2.573 20 0 GFADRO O=C(NC[C@H]1C[NH2+]CCCO1)N1CCC(c2ccc(Br)cc2)CC1 ZINC000333870747 563644475 /nfs/dbraw/zinc/64/44/75/563644475.db2.gz UOXSLAOAJCVDPS-QGZVFWFLSA-N 1 0 396.329 2.717 20 0 GFADRO C[C@H](C[NH+]1CCOCC1)C(=O)N[C@H](CCO)c1ccc(Cl)c(Cl)c1 ZINC000288471403 563644589 /nfs/dbraw/zinc/64/45/89/563644589.db2.gz QMHQOSQBEBVIAK-MLGOLLRUSA-N 1 0 375.296 2.501 20 0 GFADRO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)Nc1cc(Br)cn(C)c1=O ZINC000435194109 563644637 /nfs/dbraw/zinc/64/46/37/563644637.db2.gz ZEKIEHKITWSWDO-RYUDHWBXSA-N 1 0 385.306 2.532 20 0 GFADRO COc1ccc([C@H](C)NC(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)cc1Br ZINC000333926279 563645971 /nfs/dbraw/zinc/64/59/71/563645971.db2.gz VIFHBHZCCPSAOW-CORIIIEPSA-N 1 0 382.302 2.912 20 0 GFADRO CC(C)[N@H+](CCC(=O)Nc1ccc(Br)cc1)C[C@H]1CCC(=O)N1 ZINC000412079966 563647586 /nfs/dbraw/zinc/64/75/86/563647586.db2.gz NJFVBBKQVMMTIA-OAHLLOKOSA-N 1 0 382.302 2.767 20 0 GFADRO CNc1cc(I)ccc1C(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000412126072 563648758 /nfs/dbraw/zinc/64/87/58/563648758.db2.gz DVBBWNHVCZISIX-CMPLNLGQSA-N 1 0 387.265 2.545 20 0 GFADRO CNc1cc(I)ccc1C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000412177407 563649333 /nfs/dbraw/zinc/64/93/33/563649333.db2.gz BBCXKLNIVSSWCE-BMIGLBTASA-N 1 0 399.276 2.545 20 0 GFADRO Cn1ccnc1CN(Cc1ncc(Br)s1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435436318 563650846 /nfs/dbraw/zinc/65/08/46/563650846.db2.gz FGBKYYGJTVRXOD-GFCCVEGCSA-N 1 0 396.358 2.783 20 0 GFADRO CC(C)[N@@H+]1CCC[C@@H](NS(=O)(=O)c2ccc(F)c(Br)c2)C1 ZINC000435442530 563651509 /nfs/dbraw/zinc/65/15/09/563651509.db2.gz IZONRZSPLAKQHF-LLVKDONJSA-N 1 0 379.295 2.739 20 0 GFADRO Cc1ncsc1CN(C[C@@H]1CC[NH2+]C1)C(=O)CCc1c(C)noc1Cl ZINC000435603036 563654407 /nfs/dbraw/zinc/65/44/07/563654407.db2.gz GMYQDQANTUWOIQ-CYBMUJFWSA-N 1 0 382.917 2.972 20 0 GFADRO CCN(CCS(=O)(=O)c1ccc(Br)cc1)[C@H]1CCC[NH2+]CC1 ZINC000435625129 563654877 /nfs/dbraw/zinc/65/48/77/563654877.db2.gz KTNFPCZXBORHKI-HNNXBMFYSA-N 1 0 389.359 2.687 20 0 GFADRO CNc1cc(I)ccc1C(=O)N[C@H](C)C[N@H+](C)C(C)C ZINC000412378404 563655925 /nfs/dbraw/zinc/65/59/25/563655925.db2.gz ZRRCPQYTRUQLMV-LLVKDONJSA-N 1 0 389.281 2.791 20 0 GFADRO CN1C(=O)CCc2cc(C[N@H+](C)CCn3cc(Br)cn3)ccc21 ZINC000288854438 563659168 /nfs/dbraw/zinc/65/91/68/563659168.db2.gz PHWZKUOFHMDMDB-UHFFFAOYSA-N 1 0 377.286 2.687 20 0 GFADRO CC[NH+]1CCN(CCC(=O)NCc2cc(Cl)cc(Br)c2)CC1 ZINC000412620616 563663493 /nfs/dbraw/zinc/66/34/93/563663493.db2.gz FUWOSDLDCSNMJQ-UHFFFAOYSA-N 1 0 388.737 2.746 20 0 GFADRO O=C(N[C@@H]1CCN(c2ccccc2Br)C1)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000436279894 563668582 /nfs/dbraw/zinc/66/85/82/563668582.db2.gz AGQLBUSUVZTSKT-HBUWYVDXSA-N 1 0 378.314 2.534 20 0 GFADRO CN(C)C(=O)[C@H]1CCC[C@@H]([NH2+]Cc2cn3ccc(Br)cc3n2)C1 ZINC000289565696 563678818 /nfs/dbraw/zinc/67/88/18/563678818.db2.gz RKWYLYGOVKSBHG-GXTWGEPZSA-N 1 0 379.302 2.833 20 0 GFADRO CN(C)[C@@H](C[NH2+][C@@H]1CCCc2ccc(S(N)(=O)=O)cc21)c1ccsc1 ZINC000289696108 563683564 /nfs/dbraw/zinc/68/35/64/563683564.db2.gz KDLUZODMXIZSQF-MSOLQXFVSA-N 1 0 379.551 2.665 20 0 GFADRO CNS(=O)(=O)c1cccc([C@H](C)[NH2+]C[C@]2(C)OCCc3sccc32)c1 ZINC000289763664 563685840 /nfs/dbraw/zinc/68/58/40/563685840.db2.gz LUMWXPULTLWSOW-UGSOOPFHSA-N 1 0 380.535 2.795 20 0 GFADRO C[C@H](CC[NH+]1CCN(C)CC1)Nc1nccc2cc(Br)ccc21 ZINC000413230260 563686338 /nfs/dbraw/zinc/68/63/38/563686338.db2.gz LZDMKQVVPNCYQZ-CQSZACIVSA-N 1 0 377.330 3.435 20 0 GFADRO COc1cc(Br)c(CNC(=O)[C@@H]2CC[NH2+][C@H]2C(C)C)cc1OC ZINC000289963851 563693023 /nfs/dbraw/zinc/69/30/23/563693023.db2.gz MYLXLJTUBRRMOQ-WBMJQRKESA-N 1 0 385.302 2.717 20 0 GFADRO C[C@@H]1Cc2cc(S(=O)(=O)N(CC[NH+](C)C)Cc3cccs3)ccc2O1 ZINC000437326002 563694085 /nfs/dbraw/zinc/69/40/85/563694085.db2.gz MQZUJKAVHBUIIB-CQSZACIVSA-N 1 0 380.535 2.824 20 0 GFADRO Cc1cnn([C@H]2CCN(CC(=O)Nc3ccc(Br)cc3F)C2)c1 ZINC000290011035 563694421 /nfs/dbraw/zinc/69/44/21/563694421.db2.gz UMHAJLFTODRDQY-ZDUSSCGKSA-N 1 0 381.249 2.979 20 0 GFADRO CN(C)[C@@H](C[NH2+][C@H]1CCCc2ccc(S(N)(=O)=O)cc21)c1cccs1 ZINC000290011141 563694476 /nfs/dbraw/zinc/69/44/76/563694476.db2.gz ZLOFFNWCWZDRAY-IRXDYDNUSA-N 1 0 379.551 2.665 20 0 GFADRO COc1ccc(C(=O)N2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)cc1Br ZINC000437592548 563697257 /nfs/dbraw/zinc/69/72/57/563697257.db2.gz RVJIZEZYXMNKLZ-YSVLISHTSA-N 1 0 397.313 2.781 20 0 GFADRO C[C@H]([NH2+]Cc1cc(Br)cc(Br)c1)C(=O)NCCF ZINC000290214928 563701232 /nfs/dbraw/zinc/70/12/32/563701232.db2.gz WJAAHVGWIGWMDJ-QMMMGPOBSA-N 1 0 382.071 2.775 20 0 GFADRO COCCC1(C)CN(CCS(=O)(=O)c2cccc(Br)c2)C1 ZINC000290236027 563701772 /nfs/dbraw/zinc/70/17/72/563701772.db2.gz WHCPEZFJSKOPQJ-UHFFFAOYSA-N 1 0 376.316 2.581 20 0 GFADRO CC[N@@H+]1CCC[C@H](NC(=O)C2CCN(C(=O)c3ccc(Cl)s3)CC2)C1 ZINC000362143494 563703757 /nfs/dbraw/zinc/70/37/57/563703757.db2.gz WKSHXGLUTAEEED-AWEZNQCLSA-N 1 0 383.945 2.854 20 0 GFADRO O=S(=O)(c1ccc2nc(Cl)cnc2c1)N1CCC([NH+]2CCCC2)CC1 ZINC000362200772 563704482 /nfs/dbraw/zinc/70/44/82/563704482.db2.gz NBUOBCMRUJWVEY-UHFFFAOYSA-N 1 0 380.901 2.532 20 0 GFADRO O=C(c1cc2cc(Br)ccc2[nH]1)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000362442723 563706960 /nfs/dbraw/zinc/70/69/60/563706960.db2.gz RIEWOSYYQGDBFK-IRXDYDNUSA-N 1 0 392.297 2.602 20 0 GFADRO C[C@H](C[NH2+]C[C@@H]1CCC[C@]12NC(=O)N(C)C2=O)c1cccc(Br)c1 ZINC000362407549 563706987 /nfs/dbraw/zinc/70/69/87/563706987.db2.gz KEYOCVMXNMYLRZ-IAISJRAMSA-N 1 0 394.313 2.863 20 0 GFADRO C[N@@H+]1CCC[C@H]1CCN1CCC(NS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000362409262 563707264 /nfs/dbraw/zinc/70/72/64/563707264.db2.gz ZPEHDQVHIJVLFK-KRWDZBQOSA-N 1 0 385.961 2.567 20 0 GFADRO C[NH+](C)CCN(C1CC1)S(=O)(=O)c1ccc(Cl)c(Br)c1 ZINC000414464599 563741893 /nfs/dbraw/zinc/74/18/93/563741893.db2.gz PSVZWAQEHPNLQB-UHFFFAOYSA-N 1 0 381.723 2.817 20 0 GFADRO Cc1c(Br)cccc1NC(=O)C(=O)NCC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000362979413 563711041 /nfs/dbraw/zinc/71/10/41/563711041.db2.gz GSDJRVFSABUJRP-AGUYFDCRSA-N 1 0 394.313 2.685 20 0 GFADRO CCC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCCN2C(=O)c2ccc(Cl)s2)C1 ZINC000363030718 563712898 /nfs/dbraw/zinc/71/28/98/563712898.db2.gz BLZILEXHAJDYAQ-ZIAGYGMSSA-N 1 0 383.945 2.854 20 0 GFADRO CN(C)S(=O)(=O)n1ccnc1C[NH2+]CCCc1ccc(Cl)cc1Cl ZINC000290550968 563713235 /nfs/dbraw/zinc/71/32/35/563713235.db2.gz AWFFGHAYHSFBLS-UHFFFAOYSA-N 1 0 391.324 2.567 20 0 GFADRO O=C(Nc1ccc(Br)cc1F)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000363070692 563713685 /nfs/dbraw/zinc/71/36/85/563713685.db2.gz VPVQDFOEAJQPFP-GJZGRUSLSA-N 1 0 386.265 2.651 20 0 GFADRO CC[NH+](CC)CC[C@H](CO)NC(=O)Nc1cc(Br)ccc1OC ZINC000439047325 563716206 /nfs/dbraw/zinc/71/62/06/563716206.db2.gz MWAWZLCNUUAWFG-CYBMUJFWSA-N 1 0 388.306 2.672 20 0 GFADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1cc2cc(Br)ccc2[nH]1 ZINC000363176522 563716417 /nfs/dbraw/zinc/71/64/17/563716417.db2.gz JYIXVICIXVAMKI-UONOGXRCSA-N 1 0 378.270 2.523 20 0 GFADRO Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000290645440 563717076 /nfs/dbraw/zinc/71/70/76/563717076.db2.gz ZDPPHWMYTMOKPR-RYUDHWBXSA-N 1 0 378.826 2.806 20 0 GFADRO COC[C@H]([NH2+]CC1CCN(S(=O)(=O)C(F)F)CC1)c1cccc(Cl)c1 ZINC000290726487 563718868 /nfs/dbraw/zinc/71/88/68/563718868.db2.gz OZWXZLKQECHVIH-HNNXBMFYSA-N 1 0 396.887 2.882 20 0 GFADRO CC[C@@H]1C[N@H+](C)CCCN1S(=O)(=O)c1ccc(Br)cc1C ZINC000439214678 563719574 /nfs/dbraw/zinc/71/95/74/563719574.db2.gz OOJZGZNSTQSRPC-CQSZACIVSA-N 1 0 375.332 2.862 20 0 GFADRO COc1ccc(C[C@H](C)[NH2+]CCNC(=O)c2cccc(Br)c2)cn1 ZINC000414100509 563719567 /nfs/dbraw/zinc/71/95/67/563719567.db2.gz RNJXLKMBUMJEID-ZDUSSCGKSA-N 1 0 392.297 2.803 20 0 GFADRO COCCNc1ccc(C[NH2+][C@H](C)Cn2cc(Br)ccc2=O)cc1 ZINC000414123025 563720300 /nfs/dbraw/zinc/72/03/00/563720300.db2.gz OEHLZNSVONTWCZ-CQSZACIVSA-N 1 0 394.313 2.847 20 0 GFADRO C[C@H]([NH2+]CCCNS(=O)(=O)c1ccccc1Br)[C@H]1C[C@H]1C ZINC000414138359 563720577 /nfs/dbraw/zinc/72/05/77/563720577.db2.gz GRVQUHNQZJRJJN-AGIUHOORSA-N 1 0 375.332 2.752 20 0 GFADRO COc1ccc(Br)cc1C[C@@H](CO)C[NH2+][C@@H](C)c1ccn(C)n1 ZINC000414145421 563720911 /nfs/dbraw/zinc/72/09/11/563720911.db2.gz KIEFXYLNXJBHJE-QWHCGFSZSA-N 1 0 382.302 2.693 20 0 GFADRO Cc1ccc2c(Cl)cc(Cl)c(OC[C@@H](O)CN3CC[NH+](C)CC3)c2n1 ZINC000414165610 563721744 /nfs/dbraw/zinc/72/17/44/563721744.db2.gz PYRFCUSWLIDAHI-ZDUSSCGKSA-N 1 0 384.307 2.837 20 0 GFADRO C[C@H]([NH2+]C[C@H](CO)Cc1cc(F)cc(Br)c1)c1ccc(=O)[nH]n1 ZINC000414190557 563721907 /nfs/dbraw/zinc/72/19/07/563721907.db2.gz RIIIKSKKYWOORW-CMPLNLGQSA-N 1 0 384.249 2.586 20 0 GFADRO CC(C)C[NH+]1CCN(C[C@@H](O)COc2cc(F)cc(Br)c2)CC1 ZINC000439432736 563724390 /nfs/dbraw/zinc/72/43/90/563724390.db2.gz VKTOOABBULKMIZ-MRXNPFEDSA-N 1 0 389.309 2.602 20 0 GFADRO Cc1ccccc1CC[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000414272575 563724492 /nfs/dbraw/zinc/72/44/92/563724492.db2.gz XPYBXIIAXYWHRY-UHFFFAOYSA-N 1 0 383.311 2.737 20 0 GFADRO CCN(CC[NH2+]Cc1ccc(S(N)(=O)=O)c(Cl)c1)c1ccccc1C ZINC000414289086 563725149 /nfs/dbraw/zinc/72/51/49/563725149.db2.gz QXFFTYLJROYRJW-UHFFFAOYSA-N 1 0 381.929 2.912 20 0 GFADRO CC(C)(C)[C@@H](CCO)[NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000439447809 563725643 /nfs/dbraw/zinc/72/56/43/563725643.db2.gz YIJCZTRLIUBTNO-UKRRQHHQSA-N 1 0 378.282 2.715 20 0 GFADRO CCSCC[C@H](C)[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000414358020 563729059 /nfs/dbraw/zinc/72/90/59/563729059.db2.gz AZCZYEOGJVPDKK-JTQLQIEISA-N 1 0 381.361 2.718 20 0 GFADRO CCc1ncc(C[NH2+]CCC(=O)N(C)Cc2ccccc2Br)cn1 ZINC000414353941 563729304 /nfs/dbraw/zinc/72/93/04/563729304.db2.gz WLFARCMFYSNEJY-UHFFFAOYSA-N 1 0 391.313 2.940 20 0 GFADRO C[C@H](C(=O)Nc1cc(Cl)ccc1Cl)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000363733841 563731688 /nfs/dbraw/zinc/73/16/88/563731688.db2.gz TXKJIFORLHWARC-DQYPLSBCSA-N 1 0 386.323 2.851 20 0 GFADRO CC[NH+]1CCN(CCC(=O)N2CC[C@H]2c2cccc(Br)c2)CC1 ZINC000363767419 563732089 /nfs/dbraw/zinc/73/20/89/563732089.db2.gz PKHUNHXQLFGZQS-KRWDZBQOSA-N 1 0 380.330 2.750 20 0 GFADRO CCOc1cc(C[NH2+]Cc2ccc(S(N)(=O)=O)c(Cl)c2)ccc1OC ZINC000414389669 563733063 /nfs/dbraw/zinc/73/30/63/563733063.db2.gz GSLRZJLHMCQUCD-UHFFFAOYSA-N 1 0 384.885 2.685 20 0 GFADRO COC(=O)C[C@H](NC(=O)[C@@H]1C[NH+]2CCC1CC2)c1cccc(Br)c1 ZINC000363836774 563734681 /nfs/dbraw/zinc/73/46/81/563734681.db2.gz VUYFFFDQMVSAES-CVEARBPZSA-N 1 0 395.297 2.511 20 0 GFADRO O=C(Cc1cc(F)ccc1Br)N1CCC[N@@H+](C2CCOCC2)CC1 ZINC000363908792 563736498 /nfs/dbraw/zinc/73/64/98/563736498.db2.gz JBYKHTKJDRTMGB-UHFFFAOYSA-N 1 0 399.304 2.844 20 0 GFADRO CON(C)C(=O)C1CC[NH+](CC2=Cc3cc(Br)ccc3OC2)CC1 ZINC000291333762 563739049 /nfs/dbraw/zinc/73/90/49/563739049.db2.gz UXDCPILZMKEANJ-UHFFFAOYSA-N 1 0 395.297 2.957 20 0 GFADRO [NH3+]C[C@@H]1CCN(S(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 ZINC000440346603 563739435 /nfs/dbraw/zinc/73/94/35/563739435.db2.gz UHPJZWKSPAQKPB-QMMMGPOBSA-N 1 0 376.322 2.694 20 0 GFADRO Cc1c(S(=O)(=O)N[C@H]2CCCC[C@H]2C[NH3+])cnn1-c1ccc(Cl)cc1 ZINC000440403590 563741292 /nfs/dbraw/zinc/74/12/92/563741292.db2.gz CZSVFOLWXWYKPS-BBRMVZONSA-N 1 0 382.917 2.630 20 0 GFADRO COc1ccc(Br)c(S(=O)(=O)NCc2ccc([C@H](C)[NH3+])cc2)c1 ZINC000440416478 563741735 /nfs/dbraw/zinc/74/17/35/563741735.db2.gz WGRYDJXLBPYJDY-NSHDSACASA-N 1 0 399.310 2.956 20 0 GFADRO CC1(c2ccc(Br)cc2)CC[NH+](CCCC(=O)NC(N)=O)CC1 ZINC000440482405 563743295 /nfs/dbraw/zinc/74/32/95/563743295.db2.gz DCJXIDJBBAFSON-UHFFFAOYSA-N 1 0 382.302 2.778 20 0 GFADRO O=C(NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc(Br)cc1 ZINC000440516905 563743789 /nfs/dbraw/zinc/74/37/89/563743789.db2.gz RWYMVUAQTVBMJS-LJQANCHMSA-N 1 0 389.293 2.816 20 0 GFADRO CS(=O)(=O)Nc1c[nH]nc1[C@@H]1CCCN(CCC(Cl)(Cl)Cl)C1 ZINC000364128659 563744016 /nfs/dbraw/zinc/74/40/16/563744016.db2.gz QQNKJTPSXDVHSD-SECBINFHSA-N 1 0 389.736 2.721 20 0 GFADRO O=C(N[C@@H]1CCC[NH2+]CC1)C1(c2ccc(Br)cc2)CCOCC1 ZINC000364179048 563745161 /nfs/dbraw/zinc/74/51/61/563745161.db2.gz TWTHBRUHHDCFJD-MRXNPFEDSA-N 1 0 381.314 2.756 20 0 GFADRO CCOc1cc(C[NH2+][C@@H](CO)[C@H]2CCCOC2)cc(Br)c1OC ZINC000414547834 563746246 /nfs/dbraw/zinc/74/62/46/563746246.db2.gz GWPBXFFWARHRKI-ZFWWWQNUSA-N 1 0 388.302 2.734 20 0 GFADRO [NH3+][C@H]1CCC[C@]12CCN(C(=O)Cc1cccc(I)c1)C2 ZINC000364273652 563748408 /nfs/dbraw/zinc/74/84/08/563748408.db2.gz WRDQJKILTXMIRD-GOEBONIOSA-N 1 0 384.261 2.564 20 0 GFADRO O=C(CC[N@@H+]1CC[C@@H](NC(=O)C2CCC2)C1)Nc1cccc(Br)c1 ZINC000364288121 563748466 /nfs/dbraw/zinc/74/84/66/563748466.db2.gz RXFJOIQNSFJZRW-MRXNPFEDSA-N 1 0 394.313 2.768 20 0 GFADRO [NH3+]CC1CCN(S(=O)(=O)c2ccc3cc(Br)ccc3c2)CC1 ZINC000440744797 563749615 /nfs/dbraw/zinc/74/96/15/563749615.db2.gz DWJKWNGDLWXKSW-UHFFFAOYSA-N 1 0 383.311 2.962 20 0 GFADRO Cc1ccc(NC(=O)N2C[C@@H](C[NH3+])C3(C2)CCOCC3)c(Br)c1 ZINC000414689533 563750280 /nfs/dbraw/zinc/75/02/80/563750280.db2.gz GAMJVUWCCIAZFV-CYBMUJFWSA-N 1 0 382.302 2.977 20 0 GFADRO CC[NH2+]Cc1ccccc1NC(=O)C(=O)NCc1csc(Br)c1 ZINC000414699085 563751048 /nfs/dbraw/zinc/75/10/48/563751048.db2.gz RQVKTFWUEPANAJ-UHFFFAOYSA-N 1 0 396.310 2.875 20 0 GFADRO C[NH2+]Cc1ccc(NC(=O)C(=O)N(C)Cc2ccc(Br)s2)cc1 ZINC000414718683 563751131 /nfs/dbraw/zinc/75/11/31/563751131.db2.gz SHVFNCLBBMJWDL-UHFFFAOYSA-N 1 0 396.310 2.827 20 0 GFADRO COc1ccc([C@H]2CC[NH2+]C[C@H]2NS(=O)(=O)c2cc(C)c(C)s2)cc1 ZINC000440840557 563751768 /nfs/dbraw/zinc/75/17/68/563751768.db2.gz ACWMLEWRSGOJKT-IAGOWNOFSA-N 1 0 380.535 2.798 20 0 GFADRO CC(C)C[C@@H]([NH3+])CN1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000414746135 563752132 /nfs/dbraw/zinc/75/21/32/563752132.db2.gz LSLHVFVNLNXVKU-UKRRQHHQSA-N 1 0 383.334 2.868 20 0 GFADRO CN(CCc1cccc(Br)c1)C(=O)NCCCC[NH+]1CCOCC1 ZINC000291660985 563752284 /nfs/dbraw/zinc/75/22/84/563752284.db2.gz FVRGTOLPSWGPCM-UHFFFAOYSA-N 1 0 398.345 2.745 20 0 GFADRO C[NH2+]Cc1ccccc1NC(=O)C(=O)N(C)Cc1csc(Br)c1 ZINC000414758187 563752508 /nfs/dbraw/zinc/75/25/08/563752508.db2.gz UOXZWLKWHGVVEE-UHFFFAOYSA-N 1 0 396.310 2.827 20 0 GFADRO CSC[C@@H](O)C[NH2+][C@@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1 ZINC000364436480 563752868 /nfs/dbraw/zinc/75/28/68/563752868.db2.gz YLBFBVHSKUORRZ-GJZGRUSLSA-N 1 0 376.444 2.682 20 0 GFADRO CC(=O)NCCN(CC[NH2+]C(C)(C)C)Cc1ccc(Br)s1 ZINC000414770851 563752930 /nfs/dbraw/zinc/75/29/30/563752930.db2.gz YPYAWQZSQUKWLF-UHFFFAOYSA-N 1 0 376.364 2.837 20 0 GFADRO C[C@@H]1CN(Cc2cn3ccc(Br)cc3n2)CC2(CCOCC2)O1 ZINC000291673508 563752940 /nfs/dbraw/zinc/75/29/40/563752940.db2.gz WOHKWSOYALSQFF-CYBMUJFWSA-N 1 0 380.286 2.867 20 0 GFADRO O=S(=O)(CC[NH2+]C1(CCO)CCCCC1)c1ccc(Br)cc1 ZINC000440895863 563753101 /nfs/dbraw/zinc/75/31/01/563753101.db2.gz ZGYLSTCTOHNSQE-UHFFFAOYSA-N 1 0 390.343 2.898 20 0 GFADRO CCSCC[C@H](C)NC(=O)C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000414902501 563753420 /nfs/dbraw/zinc/75/34/20/563753420.db2.gz JUMSXZJWCYDPJN-JTQLQIEISA-N 1 0 377.432 2.751 20 0 GFADRO Cc1ncc(CN2CC[C@H]([NH2+][C@H](C)C(=O)Nc3nccs3)[C@H](C)C2)s1 ZINC000364468892 563754213 /nfs/dbraw/zinc/75/42/13/563754213.db2.gz UOUGWIAOFIYCDS-JMSVASOKSA-N 1 0 379.555 2.735 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H](NC(=O)Nc2cc(Br)ccc2N2CCOCC2)C1 ZINC000414928834 563754409 /nfs/dbraw/zinc/75/44/09/563754409.db2.gz NMQIXVLPWFUYPO-ZIAGYGMSSA-N 1 0 397.317 2.677 20 0 GFADRO Cc1cccc(CNC(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)c1Br ZINC000441044699 563754904 /nfs/dbraw/zinc/75/49/04/563754904.db2.gz BBPBDHSZAJDNIR-UHFFFAOYSA-N 1 0 397.361 2.583 20 0 GFADRO COc1cc(CNC2(C)CC[NH2+]CC2)cc(I)c1OC ZINC000414945140 563755100 /nfs/dbraw/zinc/75/51/00/563755100.db2.gz QZYWXYCTGSPYHP-UHFFFAOYSA-N 1 0 390.265 2.540 20 0 GFADRO O=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)c1nc(C2CC2)ncc1Br ZINC000291742854 563756321 /nfs/dbraw/zinc/75/63/21/563756321.db2.gz KUKICODXCCTZGA-ZDUSSCGKSA-N 1 0 379.302 2.863 20 0 GFADRO C[C@@H](CC(=O)Nc1cccc(Br)c1)N[C@H]1C[NH2+]CCC1(F)F ZINC000415008855 563756872 /nfs/dbraw/zinc/75/68/72/563756872.db2.gz WQLBTHFFCJOTPK-GWCFXTLKSA-N 1 0 376.245 2.753 20 0 GFADRO CCOc1cc(CN[C@H]2C[NH2+]CCC2(F)F)cc(Br)c1OC ZINC000414999975 563757061 /nfs/dbraw/zinc/75/70/61/563757061.db2.gz KYZUNPFYAIEWSO-ZDUSSCGKSA-N 1 0 379.245 2.943 20 0 GFADRO CN(Cc1cc(Br)ccc1OCc1ccccc1)C[C@@H](O)C[NH3+] ZINC000415066450 563757678 /nfs/dbraw/zinc/75/76/78/563757678.db2.gz IQYZPCFZMHIHNK-KRWDZBQOSA-N 1 0 379.298 2.780 20 0 GFADRO C[C@@H](CO)[N@@H+]1CCCN(C(=O)Nc2cc(F)c(Br)c(F)c2)CC1 ZINC000364560692 563757814 /nfs/dbraw/zinc/75/78/14/563757814.db2.gz DCYPPLPTMKRXDU-JTQLQIEISA-N 1 0 392.244 2.648 20 0 GFADRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)S(=O)(=O)CCc1ccccc1Br ZINC000291774576 563757900 /nfs/dbraw/zinc/75/79/00/563757900.db2.gz WDVISUFXJRZSJC-BBRMVZONSA-N 1 0 389.359 2.593 20 0 GFADRO [NH3+]CC[C@@H](NCc1ncc(Br)cc1Br)C(F)(F)F ZINC000415062579 563758149 /nfs/dbraw/zinc/75/81/49/563758149.db2.gz YQCDVUKRAAHDQH-SECBINFHSA-N 1 0 391.029 2.976 20 0 GFADRO COc1ccc(I)c(NC(=O)N(C)CC(C)(C)C[NH3+])c1 ZINC000415078429 563758590 /nfs/dbraw/zinc/75/85/90/563758590.db2.gz VTAVPVCLHPKCRZ-UHFFFAOYSA-N 1 0 391.253 2.748 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)CCC[NH2+][C@H]1C(=O)NCC[C@H]1C ZINC000441372134 563758986 /nfs/dbraw/zinc/75/89/86/563758986.db2.gz BJPDAIRJTPQDID-PIGZYNQJSA-N 1 0 396.329 2.899 20 0 GFADRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)Nc1cc(F)c(I)c(F)c1 ZINC000415118888 563759395 /nfs/dbraw/zinc/75/93/95/563759395.db2.gz KBPGZQFGZYYXSZ-WRWORJQWSA-N 1 0 395.191 2.689 20 0 GFADRO [NH3+]CC[C@H](NC(=O)Nc1cc(Cl)ccc1N1CCSCC1)C(F)F ZINC000415123190 563759450 /nfs/dbraw/zinc/75/94/50/563759450.db2.gz PDZVXNASEYXPEX-NSHDSACASA-N 1 0 378.876 2.997 20 0 GFADRO C[C@H]1C[C@@H](NC(=O)Nc2cc(F)c(I)c(F)c2)CC[NH2+]1 ZINC000415114397 563759590 /nfs/dbraw/zinc/75/95/90/563759590.db2.gz GDSOTSUDKHHAKV-YUMQZZPRSA-N 1 0 395.191 2.831 20 0 GFADRO [NH3+]Cc1cn([C@@H]2CCCN(Cc3cc(Cl)ccc3Br)C2)nn1 ZINC000415128488 563760142 /nfs/dbraw/zinc/76/01/42/563760142.db2.gz OBPGKRRBEZKYSN-CQSZACIVSA-N 1 0 384.709 2.990 20 0 GFADRO [NH3+]C1(CNC(=O)Nc2cc(Br)cnc2OCC(F)(F)F)CCC1 ZINC000415165315 563761135 /nfs/dbraw/zinc/76/11/35/563761135.db2.gz CGPZHHXDNAQWDF-UHFFFAOYSA-N 1 0 397.195 2.788 20 0 GFADRO C[C@@H](NC(=O)C(=O)Nc1ccc2c(c1)C[NH2+]C2)c1ccc(Br)s1 ZINC000415160111 563761277 /nfs/dbraw/zinc/76/12/77/563761277.db2.gz KCXNJKQLPJLABJ-SECBINFHSA-N 1 0 394.294 2.930 20 0 GFADRO C[C@H]1CN(C(=O)Nc2cc(Br)cnc2OCC(F)(F)F)CC[NH2+]1 ZINC000415182320 563761609 /nfs/dbraw/zinc/76/16/09/563761609.db2.gz YSUMINAQZDFXFL-QMMMGPOBSA-N 1 0 397.195 2.611 20 0 GFADRO COC(=O)c1cc(C(C)(C)C)sc1NC(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000415173759 563761724 /nfs/dbraw/zinc/76/17/24/563761724.db2.gz RXJJALNKXACODC-SNVBAGLBSA-N 1 0 375.441 2.951 20 0 GFADRO O=C(NC[C@H]1CCC[NH2+]1)Nc1cc(Br)cnc1OCC(F)(F)F ZINC000415173156 563761924 /nfs/dbraw/zinc/76/19/24/563761924.db2.gz PRUODLPLPSHQNO-SECBINFHSA-N 1 0 397.195 2.659 20 0 GFADRO CSC1(CNC(=O)C(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)CCC1 ZINC000415195314 563762207 /nfs/dbraw/zinc/76/22/07/563762207.db2.gz NMEYDTQTCCIRAA-UHFFFAOYSA-N 1 0 375.416 2.505 20 0 GFADRO C[C@H]1C[C@H](NC(=O)Nc2cc(F)c(F)cc2I)CC[NH2+]1 ZINC000415243934 563763676 /nfs/dbraw/zinc/76/36/76/563763676.db2.gz WRZQPZKGSKENPH-JGVFFNPUSA-N 1 0 395.191 2.831 20 0 GFADRO COc1ccc(CNC(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)cc1Br ZINC000291915787 563764754 /nfs/dbraw/zinc/76/47/54/563764754.db2.gz RBRGBNNUIXRLKD-QGZVFWFLSA-N 1 0 382.302 2.695 20 0 GFADRO Cn1cc(NC(=O)N(CCC[NH3+])Cc2ccccc2)cc(Br)c1=O ZINC000415267388 563765080 /nfs/dbraw/zinc/76/50/80/563765080.db2.gz ITLYOOHFRMJLCF-UHFFFAOYSA-N 1 0 393.285 2.531 20 0 GFADRO Cc1ccc(F)c(NC(=O)C(=O)NCC2([NH3+])CCCCC2)c1Br ZINC000415280360 563765306 /nfs/dbraw/zinc/76/53/06/563765306.db2.gz LMZVATXEVQVBPF-UHFFFAOYSA-N 1 0 386.265 2.613 20 0 GFADRO C[NH+](C)[C@@H]1CCc2ccccc2[C@H]1NC(=O)c1c[nH]c(=O)c(Br)c1 ZINC000364833458 563765550 /nfs/dbraw/zinc/76/55/50/563765550.db2.gz KQQOWECJZPQPMS-HZPDHXFCSA-N 1 0 390.281 2.897 20 0 GFADRO O=C(Nc1ccc(Cl)c(Br)c1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000415305704 563766326 /nfs/dbraw/zinc/76/63/26/563766326.db2.gz XCPMGLMFVLNZIP-GFCCVEGCSA-N 1 0 387.709 2.614 20 0 GFADRO [NH3+]C1(CNC(=O)C(=O)Nc2ccc(F)cc2Br)CCCCCC1 ZINC000415316845 563766919 /nfs/dbraw/zinc/76/69/19/563766919.db2.gz OPDNPPSPOPEJOO-UHFFFAOYSA-N 1 0 386.265 2.695 20 0 GFADRO C[NH2+]CCCNC(=O)C(=O)Nc1ccc(Sc2nc(C)cs2)c(Cl)c1 ZINC000415308500 563766964 /nfs/dbraw/zinc/76/69/64/563766964.db2.gz PRJRRUSAJSJRTR-UHFFFAOYSA-N 1 0 398.941 2.920 20 0 GFADRO [NH3+]C1(CNC(=O)C(=O)Nc2ccc(Br)c(F)c2)CCCCCC1 ZINC000415310154 563766996 /nfs/dbraw/zinc/76/69/96/563766996.db2.gz VKWPSZZBTWYPRM-UHFFFAOYSA-N 1 0 386.265 2.695 20 0 GFADRO COC(=O)c1cc(Br)ccc1NC(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000415327308 563767457 /nfs/dbraw/zinc/76/74/57/563767457.db2.gz IFBJFEOYXURIOU-LEWSCRJBSA-N 1 0 396.285 2.827 20 0 GFADRO CCOC(=O)c1cc(Br)ccc1NC(=O)N[C@@H]1CC[NH2+]C1(C)C ZINC000415343739 563768086 /nfs/dbraw/zinc/76/80/86/563768086.db2.gz CCDHKVUYCOJIAU-CYBMUJFWSA-N 1 0 384.274 2.888 20 0 GFADRO CCOC(=O)c1c(NC(=O)NC[C@H]2CCC[NH2+]C2)sc2c1CCSC2 ZINC000415343255 563768143 /nfs/dbraw/zinc/76/81/43/563768143.db2.gz SJSWJLGRWIYMLR-NSHDSACASA-N 1 0 383.539 2.835 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)CC[N@@H+]1C ZINC000442137779 563768502 /nfs/dbraw/zinc/76/85/02/563768502.db2.gz OWXQDECFZGVRKQ-KOLCDFICSA-N 1 0 377.794 2.896 20 0 GFADRO C[C@@H](NC(=O)C(=O)Nc1cccc(Cl)c1Br)[C@H]1CCC[NH2+]C1 ZINC000415345543 563768918 /nfs/dbraw/zinc/76/89/18/563768918.db2.gz ARXPPBDCJIJWQG-ZJUUUORDSA-N 1 0 388.693 2.545 20 0 GFADRO C[C@@H](NC(=O)C(=O)Nc1ccc(C(F)(F)F)cc1Cl)[C@@H]1CCC[NH2+]C1 ZINC000415351546 563769327 /nfs/dbraw/zinc/76/93/27/563769327.db2.gz JODIHFRKLTUJFO-NXEZZACHSA-N 1 0 377.794 2.802 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000415350255 563769341 /nfs/dbraw/zinc/76/93/41/563769341.db2.gz MOUMLBHWTOBQBC-CHWSQXEVSA-N 1 0 382.302 2.509 20 0 GFADRO Cc1ccc(Br)c(NC(=O)N2C[C@H](C[NH3+])C3(C2)CCOCC3)c1 ZINC000415369692 563771373 /nfs/dbraw/zinc/77/13/73/563771373.db2.gz PENQOIQSYRDZGD-ZDUSSCGKSA-N 1 0 382.302 2.977 20 0 GFADRO C[NH2+]C[C@H]1CCN(C(=O)Nc2c(F)cc(C)cc2I)C1 ZINC000415383236 563772091 /nfs/dbraw/zinc/77/20/91/563772091.db2.gz BLHVWOPMPXZTSI-SNVBAGLBSA-N 1 0 391.228 2.812 20 0 GFADRO Cc1cc(F)c(NC(=O)N2C[C@@H](C)[NH2+]C[C@H]2C)c(I)c1 ZINC000415388053 563772136 /nfs/dbraw/zinc/77/21/36/563772136.db2.gz HOMVJGLYTNPQJG-NXEZZACHSA-N 1 0 391.228 2.953 20 0 GFADRO COC(=O)c1cc(NC(=O)N2CCC[C@@H](CC[NH3+])C2)ccc1Br ZINC000415398144 563772338 /nfs/dbraw/zinc/77/23/38/563772338.db2.gz BNVLFWCNNKYNPN-NSHDSACASA-N 1 0 384.274 2.828 20 0 GFADRO Cc1cc(F)c(Br)cc1NC(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000365072492 563772532 /nfs/dbraw/zinc/77/25/32/563772532.db2.gz PGOQXXHGJMXVSS-RYUDHWBXSA-N 1 0 386.265 2.881 20 0 GFADRO [NH3+]CC[C@@H](NC(=O)Nc1ccn(-c2ccc(Cl)cc2Cl)n1)C(F)F ZINC000415402149 563773042 /nfs/dbraw/zinc/77/30/42/563773042.db2.gz QGXGRBFHNFZLDW-SNVBAGLBSA-N 1 0 378.210 3.283 20 0 GFADRO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)Nc1cccc(Cl)c1SCC(F)F ZINC000415430890 563775089 /nfs/dbraw/zinc/77/50/89/563775089.db2.gz CYNHJRWCYMXXSV-JTQLQIEISA-N 1 0 379.860 2.735 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000415429055 563775107 /nfs/dbraw/zinc/77/51/07/563775107.db2.gz QUTAETUFYWHWBP-OAHLLOKOSA-N 1 0 382.302 2.720 20 0 GFADRO CCOCCOc1ccc(Br)cc1NC(=O)N1CCC([NH3+])CC1 ZINC000415436713 563775800 /nfs/dbraw/zinc/77/58/00/563775800.db2.gz BZNKZWPUUDSYBU-UHFFFAOYSA-N 1 0 386.290 2.819 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)Nc2cccc(Br)c2Cl)C1 ZINC000415439846 563776452 /nfs/dbraw/zinc/77/64/52/563776452.db2.gz LXHFVDCKHCOWGP-ZJUUUORDSA-N 1 0 388.693 2.627 20 0 GFADRO CCOCCOc1ccc(Br)cc1NC(=O)NC[C@@H](C)C[NH2+]C ZINC000415464155 563777000 /nfs/dbraw/zinc/77/70/00/563777000.db2.gz QWKFWLKKBFAGMR-LBPRGKRZSA-N 1 0 388.306 2.841 20 0 GFADRO COC(=O)c1cc(Br)cc(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1 ZINC000292180713 563777318 /nfs/dbraw/zinc/77/73/18/563777318.db2.gz QEPCUCQCYZGTPQ-MQVJKMGUSA-N 1 0 395.297 2.981 20 0 GFADRO C[C@@H]([NH3+])[C@@H](C)C(=O)N1CCC(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000365192069 563777311 /nfs/dbraw/zinc/77/73/11/563777311.db2.gz OUWFQXRLXFELMD-VXGBXAGGSA-N 1 0 382.302 2.610 20 0 GFADRO COc1cc(C)c(Br)cc1NC(=O)N1CC[C@H](OC)C[C@H]1C[NH3+] ZINC000415480104 563778371 /nfs/dbraw/zinc/77/83/71/563778371.db2.gz GRJWARCIPAOOTB-RYUDHWBXSA-N 1 0 386.290 2.736 20 0 GFADRO Cn1nc(Br)cc1C(=O)N1CCC2(C[C@@H]2C[N@H+](C)C2CC2)CC1 ZINC000365263508 563778858 /nfs/dbraw/zinc/77/88/58/563778858.db2.gz CYDYUSCUNHPMFJ-GFCCVEGCSA-N 1 0 381.318 2.519 20 0 GFADRO CCCC[C@H](C[NH3+])NC(=O)C(=O)Nc1ccc(Br)c2cccnc12 ZINC000415498329 563779424 /nfs/dbraw/zinc/77/94/24/563779424.db2.gz MYPKFCNSZJMJLH-LLVKDONJSA-N 1 0 393.285 2.570 20 0 GFADRO CN(CC[N@H+](C)C1CCCCC1)S(=O)(=O)c1cnccc1C(F)(F)F ZINC000442812168 563780114 /nfs/dbraw/zinc/78/01/14/563780114.db2.gz QGJKECKIVBFCCJ-UHFFFAOYSA-N 1 0 379.448 2.985 20 0 GFADRO CCCN(C(=O)C(=O)Nc1ccc(Br)cc1C)C1CC[NH2+]CC1 ZINC000415507979 563780183 /nfs/dbraw/zinc/78/01/83/563780183.db2.gz WTESNIAZJIHELJ-UHFFFAOYSA-N 1 0 382.302 2.687 20 0 GFADRO CCC[NH2+]CCNC(=O)C(=O)Nc1cc(C)ccc1SCC(F)(F)F ZINC000415518094 563780604 /nfs/dbraw/zinc/78/06/04/563780604.db2.gz LMZFSWQDUIJVFF-UHFFFAOYSA-N 1 0 377.432 2.704 20 0 GFADRO CCCN(C(=O)C(=O)Nc1cc(Cl)c(OC)c(Cl)c1)C1CC[NH2+]CC1 ZINC000415510508 563780854 /nfs/dbraw/zinc/78/08/54/563780854.db2.gz YXGXYNIUXDJEMS-UHFFFAOYSA-N 1 0 388.295 2.931 20 0 GFADRO O=C(Nc1ccnn1Cc1ccccc1Br)N[C@H]1CCC[NH2+]C1 ZINC000415518914 563780994 /nfs/dbraw/zinc/78/09/94/563780994.db2.gz CQEQCYTWBQOCJQ-ZDUSSCGKSA-N 1 0 378.274 2.567 20 0 GFADRO CC[C@H]([NH3+])CNC(=O)Nc1nc2ccc(I)cc2s1 ZINC000415527479 563782565 /nfs/dbraw/zinc/78/25/65/563782565.db2.gz JALGEICNAJUURU-QMMMGPOBSA-N 1 0 390.250 2.760 20 0 GFADRO CCc1cc2oc(=O)cc(CN3CC[C@@H](CS(C)(=O)=O)C3)c2cc1Cl ZINC000292340976 563782736 /nfs/dbraw/zinc/78/27/36/563782736.db2.gz UXQLGKIJVKFFDW-GFCCVEGCSA-N 1 0 383.897 2.875 20 0 GFADRO Cc1cc(Cl)cc(NC(=O)C(=O)N2C[C@@H](C[NH3+])C[C@H]2C)c1Br ZINC000415538708 563783654 /nfs/dbraw/zinc/78/36/54/563783654.db2.gz ISVHLXKJRBGFED-NXEZZACHSA-N 1 0 388.693 2.545 20 0 GFADRO C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)Nc1cc(F)cc(F)c1Br ZINC000415553375 563784192 /nfs/dbraw/zinc/78/41/92/563784192.db2.gz FZLRQFODUBMVTJ-CPCISQLKSA-N 1 0 378.217 2.962 20 0 GFADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1cc(Cl)cc(Br)c1F ZINC000365523354 563785835 /nfs/dbraw/zinc/78/58/35/563785835.db2.gz QYYQFFHYZSDVHR-GHMZBOCLSA-N 1 0 391.668 2.835 20 0 GFADRO O=C(Nc1ccc(Cl)cc1C(F)(F)F)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000415595164 563786281 /nfs/dbraw/zinc/78/62/81/563786281.db2.gz QSGAHODKHDNXDO-OAHLLOKOSA-N 1 0 375.778 2.509 20 0 GFADRO COc1ccc(NC(=O)N2CC[C@@H]([NH3+])[C@H](C)C2)c(I)c1 ZINC000415600577 563786858 /nfs/dbraw/zinc/78/68/58/563786858.db2.gz TVTMJFFURHECIN-BXKDBHETSA-N 1 0 389.237 2.501 20 0 GFADRO COC(=O)c1cccc(NC(=O)N2CCCC[C@@H]2[C@H](C)[NH3+])c1Br ZINC000415603618 563787009 /nfs/dbraw/zinc/78/70/09/563787009.db2.gz DLXAMHUNMWVVCT-GXFFZTMASA-N 1 0 384.274 2.969 20 0 GFADRO COC(=O)c1cc(NC(=O)N[C@@H]2CCC[C@H]([NH3+])C2)cc(Br)c1F ZINC000415613119 563788006 /nfs/dbraw/zinc/78/80/06/563788006.db2.gz MLECKHOCRZWNMN-DTWKUNHWSA-N 1 0 388.237 2.766 20 0 GFADRO COC(=O)c1cccc(NC(=O)NCC[C@@H]2CCC[NH2+]C2)c1Br ZINC000415619880 563788714 /nfs/dbraw/zinc/78/87/14/563788714.db2.gz ZZCLNPPCZMFYKS-NSHDSACASA-N 1 0 384.274 2.747 20 0 GFADRO COC(=O)c1cc(F)c(Br)cc1NC(=O)N[C@H](C[NH3+])CC(C)C ZINC000415630265 563788849 /nfs/dbraw/zinc/78/88/49/563788849.db2.gz CIYKBPRZKQEPAS-VIFPVBQESA-N 1 0 390.253 2.870 20 0 GFADRO [NH3+][C@H]1CCC[C@@H](NC(=O)C(=O)Nc2cc(F)c(Br)cc2Cl)C1 ZINC000415638311 563789343 /nfs/dbraw/zinc/78/93/43/563789343.db2.gz BGWVGZIPVDBJFV-JGVFFNPUSA-N 1 0 392.656 2.566 20 0 GFADRO CC[NH2+][C@H](C)CNC(=O)C(=O)Nc1cc(C)ccc1SCC(F)(F)F ZINC000415651427 563790036 /nfs/dbraw/zinc/79/00/36/563790036.db2.gz BJRKUHBLHJTLMI-LLVKDONJSA-N 1 0 377.432 2.702 20 0 GFADRO O=C(Nc1ccc(Cl)cc1C(F)(F)F)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000415639189 563790136 /nfs/dbraw/zinc/79/01/36/563790136.db2.gz CLHRTLMZIYKDHN-PHIMTYICSA-N 1 0 375.778 2.650 20 0 GFADRO [NH3+][C@H]1CCC[C@@H](NC(=O)C(=O)Nc2cc(F)ccc2SCC(F)F)C1 ZINC000415646734 563790251 /nfs/dbraw/zinc/79/02/51/563790251.db2.gz NCTKDHMEGWBAPN-WDEREUQCSA-N 1 0 375.416 2.508 20 0 GFADRO [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)Nc1cc(Cl)c(Cl)cc1F ZINC000415652567 563790643 /nfs/dbraw/zinc/79/06/43/563790643.db2.gz HMSJIRUEHNRABU-JTQLQIEISA-N 1 0 391.274 2.984 20 0 GFADRO O=C(NC[C@H]1C[NH2+]CCO1)Nc1cc(C(F)(F)F)ccc1Br ZINC000415659588 563790754 /nfs/dbraw/zinc/79/07/54/563790754.db2.gz SDQQXQBJHQWLOU-SECBINFHSA-N 1 0 382.180 2.578 20 0 GFADRO [NH3+]CC[C@@H]1CCCN(C(=O)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)C1 ZINC000415682562 563791450 /nfs/dbraw/zinc/79/14/50/563791450.db2.gz VJSVGGBWSDUMTL-JTQLQIEISA-N 1 0 377.794 2.885 20 0 GFADRO COC(=O)c1cc(NC(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)c(C)cc1Br ZINC000415708503 563792865 /nfs/dbraw/zinc/79/28/65/563792865.db2.gz NWSBTWYBUYCPNO-NEPJUHHUSA-N 1 0 396.285 2.617 20 0 GFADRO [NH3+]C[C@H]1CC[C@H](CNC(=O)C(=O)Nc2cc(Cl)c(F)c(Cl)c2)CC1 ZINC000415728639 563793207 /nfs/dbraw/zinc/79/32/07/563793207.db2.gz ALEBZEUHSUNWFI-MGCOHNPYSA-N 1 0 376.259 2.952 20 0 GFADRO Cc1cc(I)cc(NC(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)c1 ZINC000415717196 563793242 /nfs/dbraw/zinc/79/32/42/563793242.db2.gz XUJLIZXNFLRMIN-CQSZACIVSA-N 1 0 385.249 2.958 20 0 GFADRO O[C@H](COC1CCOCC1)C[N@@H+]1CC[C@@H](Cc2ccc(Br)cc2)C1 ZINC000292695829 563793476 /nfs/dbraw/zinc/79/34/76/563793476.db2.gz NIUFKMUOBXCCNT-WMZOPIPTSA-N 1 0 398.341 2.870 20 0 GFADRO CCCC[C@H](C[NH3+])NC(=O)Nc1ccn(-c2ccc(Br)cc2)n1 ZINC000415755645 563794457 /nfs/dbraw/zinc/79/44/57/563794457.db2.gz KCVHSTHFSRQQGL-CYBMUJFWSA-N 1 0 380.290 3.274 20 0 GFADRO C[NH2+]CC1CCN(C(=O)Nc2ccn(-c3ccc(Br)cc3)n2)CC1 ZINC000415763364 563795194 /nfs/dbraw/zinc/79/51/94/563795194.db2.gz XJTZNPOBNGSHER-UHFFFAOYSA-N 1 0 392.301 3.098 20 0 GFADRO O=C(Nc1cc(Cl)ccc1C(F)(F)F)C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000415779872 563796434 /nfs/dbraw/zinc/79/64/34/563796434.db2.gz LIKVSGYLNYVYRS-SKDRFNHKSA-N 1 0 375.778 2.508 20 0 GFADRO O=C(c1ccc(Cl)c(I)c1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000292834068 563796560 /nfs/dbraw/zinc/79/65/60/563796560.db2.gz BPXHRZQIRNCMTG-GXFFZTMASA-N 1 0 390.652 2.769 20 0 GFADRO O=C(Nc1cc(Cl)cc(C(F)(F)F)c1)C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000415797746 563796869 /nfs/dbraw/zinc/79/68/69/563796869.db2.gz WNFSGWYWMVBYRC-TVQRCGJNSA-N 1 0 375.778 2.508 20 0 GFADRO O=C(NCCC[C@@H]1CCC[NH2+]1)C(=O)Nc1ccc(Cl)cc1Br ZINC000415805932 563797592 /nfs/dbraw/zinc/79/75/92/563797592.db2.gz OJRBNYUHOYMGRR-NSHDSACASA-N 1 0 388.693 2.689 20 0 GFADRO O=C(NCCC[C@H]1CCC[NH2+]1)C(=O)Nc1ccc(C(F)(F)F)cc1Cl ZINC000415808781 563797663 /nfs/dbraw/zinc/79/76/63/563797663.db2.gz UATSQDUTKRQAKC-LLVKDONJSA-N 1 0 377.794 2.946 20 0 GFADRO O=C(NCCC[C@@H]1CCC[NH2+]1)C(=O)Nc1ccc(Br)c(Cl)c1 ZINC000415808049 563797798 /nfs/dbraw/zinc/79/77/98/563797798.db2.gz RRVVLAZYUSATNW-JTQLQIEISA-N 1 0 388.693 2.689 20 0 GFADRO Cc1ccc(NC(=O)C(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c(Br)c1 ZINC000415816431 563798455 /nfs/dbraw/zinc/79/84/55/563798455.db2.gz HAAYIJYMSBFZJZ-KBPBESRZSA-N 1 0 394.313 2.544 20 0 GFADRO [NH3+]C[C@@H](NC(=O)C(=O)Nc1cccc(Cl)c1Br)C1CCCC1 ZINC000415828306 563798827 /nfs/dbraw/zinc/79/88/27/563798827.db2.gz BHZFOTCXIDPNSP-GFCCVEGCSA-N 1 0 388.693 2.675 20 0 GFADRO Cc1cc(Cl)cc(NC(=O)C(=O)N[C@@H]2CC[C@H](C[NH3+])C2)c1Br ZINC000415833346 563798867 /nfs/dbraw/zinc/79/88/67/563798867.db2.gz MYUHHKJZJNUBPR-GXSJLCMTSA-N 1 0 388.693 2.593 20 0 GFADRO O[C@H](COc1ccc(Cl)cc1Cl)CN1CC[NH+]([C@H]2CCSC2)CC1 ZINC000366096847 563799307 /nfs/dbraw/zinc/79/93/07/563799307.db2.gz NYNKPWVRPSIEJH-GJZGRUSLSA-N 1 0 391.364 2.856 20 0 GFADRO O=C(NCCC1=CC[NH2+]CC1)C(=O)Nc1cc(Cl)ccc1C(F)(F)F ZINC000415870729 563799544 /nfs/dbraw/zinc/79/95/44/563799544.db2.gz GFOSOWYVUOXMRL-UHFFFAOYSA-N 1 0 375.778 2.723 20 0 GFADRO CC1(C)C[NH2+][C@H]1C1CCN(C(=O)C(=O)Nc2cccc(Br)c2)CC1 ZINC000415865213 563799778 /nfs/dbraw/zinc/79/97/78/563799778.db2.gz UFPRVDJAPFDYRL-HNNXBMFYSA-N 1 0 394.313 2.624 20 0 GFADRO CC(C)c1cc(Br)ccc1NC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000415863764 563799869 /nfs/dbraw/zinc/79/98/69/563799869.db2.gz GXELOAZJRAGGJS-QWHCGFSZSA-N 1 0 394.313 2.579 20 0 GFADRO CC[NH2+]Cc1ccccc1NC(=O)NCc1ccc(S(=O)(=O)CC)s1 ZINC000415932243 563800552 /nfs/dbraw/zinc/80/05/52/563800552.db2.gz NYKIZVIONJMLLT-UHFFFAOYSA-N 1 0 381.523 2.973 20 0 GFADRO C[C@H](Cc1ccccc1Br)NC(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000416019548 563802494 /nfs/dbraw/zinc/80/24/94/563802494.db2.gz ZZZMKCUPKUQKSU-SKDRFNHKSA-N 1 0 382.224 2.959 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ccccc2Br)C[C@@H]1C ZINC000443366083 563803431 /nfs/dbraw/zinc/80/34/31/563803431.db2.gz LMDFUNNITZHWIH-STQMWFEESA-N 1 0 382.302 2.719 20 0 GFADRO COc1ccc(Br)cc1C1(C(=O)NC[C@H](C2CC2)[NH+](C)C)CC1 ZINC000416135186 563806559 /nfs/dbraw/zinc/80/65/59/563806559.db2.gz QERFWASJHKMECX-OAHLLOKOSA-N 1 0 381.314 2.946 20 0 GFADRO CS(=O)(=O)CC[C@H]1CCCC[N@@H+]1CCC(=O)NCc1ccccc1Cl ZINC000366379433 563807001 /nfs/dbraw/zinc/80/70/01/563807001.db2.gz PTCMFRSCQDJXBR-MRXNPFEDSA-N 1 0 386.945 2.636 20 0 GFADRO C[C@@H](CNc1ccnc2c(Br)ccc(F)c12)[NH+]1CCN(C)CC1 ZINC000443524911 563808145 /nfs/dbraw/zinc/80/81/45/563808145.db2.gz WNLUWMUKZJAMDX-LBPRGKRZSA-N 1 0 381.293 2.606 20 0 GFADRO O=C(NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1c(Cl)cncc1Cl ZINC000293321597 563808139 /nfs/dbraw/zinc/80/81/39/563808139.db2.gz AEIIREDRJGPAHK-CQSZACIVSA-N 1 0 380.275 2.885 20 0 GFADRO O=C(N[C@@H]1CC12CC[NH2+]CC2)c1[nH]nc(-c2ccccc2)c1Br ZINC000366566273 563814578 /nfs/dbraw/zinc/81/45/78/563814578.db2.gz KWLJJUXMVBEVQM-GFCCVEGCSA-N 1 0 375.270 2.711 20 0 GFADRO C[N@@H+]1CC[C@@]2(CCN(C(=O)Nc3ccc([S@@](=O)C(F)(F)F)cc3)C2)C1 ZINC000366603049 563815250 /nfs/dbraw/zinc/81/52/50/563815250.db2.gz PBLPFMYQIMWLAG-SGANQWHYSA-N 1 0 375.416 2.874 20 0 GFADRO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)CCCc1ccccc1Br ZINC000416317983 563816254 /nfs/dbraw/zinc/81/62/54/563816254.db2.gz XFJLBWHZIDJERL-GJZGRUSLSA-N 1 0 383.330 2.685 20 0 GFADRO Cc1nn(C)c(Cl)c1C[NH2+]CCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000293535678 563817282 /nfs/dbraw/zinc/81/72/82/563817282.db2.gz XMVBHWLMZVZTMK-UHFFFAOYSA-N 1 0 376.309 2.989 20 0 GFADRO O=S(=O)(NC1CC[NH+](CC2CC2)CC1)c1ccc(C(F)(F)F)cc1F ZINC000444055810 563819256 /nfs/dbraw/zinc/81/92/56/563819256.db2.gz HVDNXXMAFSJDTR-UHFFFAOYSA-N 1 0 380.407 2.997 20 0 GFADRO O=C(Nc1cc(Cl)cc(Cl)c1)[C@@H]1CCCN1C(=O)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000444145838 563822659 /nfs/dbraw/zinc/82/26/59/563822659.db2.gz YGQUQLPAVIOJCI-MPGHIAIKSA-N 1 0 382.291 2.923 20 0 GFADRO COC(=O)[C@@H](c1ccc(Cl)cc1Cl)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000444226453 563824697 /nfs/dbraw/zinc/82/46/97/563824697.db2.gz OVEZHUMNOPXYMA-CXAGYDPISA-N 1 0 387.307 2.862 20 0 GFADRO O=C(NC1CCN(Cc2ccc(Br)cc2)CC1)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000444263279 563826420 /nfs/dbraw/zinc/82/64/20/563826420.db2.gz FAUSRXXGZMJZNX-HKUYNNGSSA-N 1 0 392.341 2.529 20 0 GFADRO C[C@@H]1CN(C(=O)C2(c3cccc(Br)c3)CC2)CC[N@@H+]1CC(C)(C)O ZINC000444543564 563833131 /nfs/dbraw/zinc/83/31/31/563833131.db2.gz FNBIJWHTFAONSE-CQSZACIVSA-N 1 0 395.341 2.784 20 0 GFADRO O=C1NCCN(CCC[NH+]2CCCCC2)[C@@H]1c1ccccc1Br ZINC000444607942 563834163 /nfs/dbraw/zinc/83/41/63/563834163.db2.gz ITYPGJMHLPJUTC-QGZVFWFLSA-N 1 0 380.330 2.798 20 0 GFADRO Cc1ccc(Br)c(NC(=O)C(=O)NCC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000367171723 563834541 /nfs/dbraw/zinc/83/45/41/563834541.db2.gz QYGGLCHLDBPRLH-AGUYFDCRSA-N 1 0 394.313 2.685 20 0 GFADRO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)c1cnn(-c2ccc(Br)cc2)c1C ZINC000367374485 563842027 /nfs/dbraw/zinc/84/20/27/563842027.db2.gz ITBGSFUZFTYQLN-ZFWWWQNUSA-N 1 0 395.276 2.715 20 0 GFADRO O=S(=O)(NCC1CC[NH+](C2CC2)CC1)c1ccc(Br)c(F)c1 ZINC000445073800 563842654 /nfs/dbraw/zinc/84/26/54/563842654.db2.gz VEYCLOBXVCKZFD-UHFFFAOYSA-N 1 0 391.306 2.741 20 0 GFADRO COCCc1nc(C)c([C@@H](C)[NH2+]CC(=O)N2CCc3sccc3C2)s1 ZINC000367396209 563843003 /nfs/dbraw/zinc/84/30/03/563843003.db2.gz HPSZZVATXIJEAB-GFCCVEGCSA-N 1 0 379.551 2.937 20 0 GFADRO Cc1ccc(Br)cc1S(=O)(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000445097328 563843324 /nfs/dbraw/zinc/84/33/24/563843324.db2.gz WMPCRKJQRPUQFF-UHFFFAOYSA-N 1 0 387.343 2.910 20 0 GFADRO CC[N@@H+]1CC[C@H](CNC(=O)c2ccc(I)cc2F)C1 ZINC000294486618 563843566 /nfs/dbraw/zinc/84/35/66/563843566.db2.gz JQABJBUUZPYRTH-SNVBAGLBSA-N 1 0 376.213 2.502 20 0 GFADRO COc1sc(CN2CC[NH+]([C@H]3CCC[C@H]3O)CC2)cc1Br ZINC000367461627 563845737 /nfs/dbraw/zinc/84/57/37/563845737.db2.gz ZHCYIYRFMVHQGE-UONOGXRCSA-N 1 0 375.332 2.550 20 0 GFADRO COc1sc(CN2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)cc1Br ZINC000367461628 563846021 /nfs/dbraw/zinc/84/60/21/563846021.db2.gz ZHCYIYRFMVHQGE-ZIAGYGMSSA-N 1 0 375.332 2.550 20 0 GFADRO O=C(Cc1cscc1Br)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000294604577 563848848 /nfs/dbraw/zinc/84/88/48/563848848.db2.gz IDFWPQPQHOMBIO-ZDUSSCGKSA-N 1 0 387.343 2.624 20 0 GFADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)Nc3cccc(I)c3)C[C@@H]21 ZINC000367586841 563849685 /nfs/dbraw/zinc/84/96/85/563849685.db2.gz HNSLLXZOFSMMDM-RISCZKNCSA-N 1 0 385.249 2.849 20 0 GFADRO COc1ccc([C@H]2CC[NH2+]C[C@H]2NC(=O)c2occc2Br)cc1 ZINC000367595183 563849979 /nfs/dbraw/zinc/84/99/79/563849979.db2.gz WJAMNAHXIFRONJ-UKRRQHHQSA-N 1 0 379.254 2.926 20 0 GFADRO CCN(CC)S(=O)(=O)c1ccc(CC[NH2+][C@@H]2CCCc3n[nH]cc32)s1 ZINC000367620780 563850652 /nfs/dbraw/zinc/85/06/52/563850652.db2.gz RIQBFUQUEMSXGA-OAHLLOKOSA-N 1 0 382.555 2.711 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C[N@@H+]1CC[C@@H](CC(N)=O)C1 ZINC000367710828 563852893 /nfs/dbraw/zinc/85/28/93/563852893.db2.gz WGBGCUGPFIOPTF-ZDUSSCGKSA-N 1 0 377.286 2.641 20 0 GFADRO Cc1nnc(N2CCC([NH2+][C@@H](CO)c3cccc(Br)c3)CC2)s1 ZINC000367818190 563856845 /nfs/dbraw/zinc/85/68/45/563856845.db2.gz GUPXTQAQGBURHV-HNNXBMFYSA-N 1 0 397.342 2.901 20 0 GFADRO CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@@H]1CC(=O)Nc2ccc(Br)cc21 ZINC000446019292 563856976 /nfs/dbraw/zinc/85/69/76/563856976.db2.gz IMKMWZWLZLIFML-UKRRQHHQSA-N 1 0 396.329 2.967 20 0 GFADRO C[C@H]1C[C@H](NC(=O)NCCCC[NH+]2CCCC2)c2ccsc2S1(=O)=O ZINC000367857686 563857940 /nfs/dbraw/zinc/85/79/40/563857940.db2.gz IGHNFCCNOALSMQ-ZFWWWQNUSA-N 1 0 385.555 2.530 20 0 GFADRO C[C@@H](CNC(=O)[C@H]1CC(=O)Nc2ccc(Br)cc21)C[NH+]1CCCC1 ZINC000446102395 563858703 /nfs/dbraw/zinc/85/87/03/563858703.db2.gz FQUAJKZDMYKQRO-WFASDCNBSA-N 1 0 394.313 2.723 20 0 GFADRO O=C1NC[C@@H]2CN(Cc3ccc(OC(F)(F)F)c(Br)c3)CC[C@@H]12 ZINC000367926490 563859551 /nfs/dbraw/zinc/85/95/51/563859551.db2.gz ODTFHZLPWXKXIY-GHMZBOCLSA-N 1 0 393.203 2.916 20 0 GFADRO O=S(=O)(c1cccs1)N1CCC[C@@H]([NH2+]Cc2ccc3c[nH]nc3c2)C1 ZINC000367956227 563860283 /nfs/dbraw/zinc/86/02/83/563860283.db2.gz DDSKCZVEVSSXOW-OAHLLOKOSA-N 1 0 376.507 2.567 20 0 GFADRO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000416727296 563860421 /nfs/dbraw/zinc/86/04/21/563860421.db2.gz FZSNMASNJMGSPP-QWRGUYRKSA-N 1 0 377.819 2.860 20 0 GFADRO C[C@H](NC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccccc1Cl ZINC000416827995 563862015 /nfs/dbraw/zinc/86/20/15/563862015.db2.gz LQEYKNKSLUIGLU-FZMZJTMJSA-N 1 0 378.826 2.536 20 0 GFADRO O=C(N[C@@H]1CCSc2ccc(Cl)cc21)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000416902108 563863009 /nfs/dbraw/zinc/86/30/09/563863009.db2.gz BHTQYQVTACIHHA-GOEBONIOSA-N 1 0 380.945 2.566 20 0 GFADRO O=S(=O)(Cc1cccc(C(F)(F)F)c1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000368096366 563864181 /nfs/dbraw/zinc/86/41/81/563864181.db2.gz ABDZBPQJKZDACX-OAHLLOKOSA-N 1 0 376.444 2.857 20 0 GFADRO O=C(c1ccc(Cl)c(I)c1)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000368114978 563864665 /nfs/dbraw/zinc/86/46/65/563864665.db2.gz LFCYHLVQKTZEJW-QWRGUYRKSA-N 1 0 390.652 2.626 20 0 GFADRO C[NH+]1CCC2(CCCN2C(=O)c2nc(C3CC3)ncc2Br)CC1 ZINC000368165889 563865556 /nfs/dbraw/zinc/86/55/56/563865556.db2.gz OOZCJTJDWUDKJG-UHFFFAOYSA-N 1 0 379.302 2.817 20 0 GFADRO Cc1nn(-c2ccc(Cl)c(Cl)c2)c(C)c1CC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000368215549 563866874 /nfs/dbraw/zinc/86/68/74/563866874.db2.gz OWVUGVZTNXDFTI-UOIKSKOESA-N 1 0 379.291 2.672 20 0 GFADRO O=S(=O)(c1cc(Br)c(F)cc1F)N1CCC[C@H]1c1ncc[nH]1 ZINC000368292777 563867715 /nfs/dbraw/zinc/86/77/15/563867715.db2.gz FNSYPZFOYWTIOE-NSHDSACASA-N 1 0 392.225 2.976 20 0 GFADRO COC[C@H]([NH2+]Cc1cn2cc(Br)cc(C)c2n1)C1CCOCC1 ZINC000446889198 563869879 /nfs/dbraw/zinc/86/98/79/563869879.db2.gz TZTZGOXJIFOGBV-INIZCTEOSA-N 1 0 382.302 2.936 20 0 GFADRO O=C(c1cc(=O)[nH]c2c(Br)cccc12)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000368387586 563870120 /nfs/dbraw/zinc/87/01/20/563870120.db2.gz KGDNAPWHKAQZOU-HZMBPMFUSA-N 1 0 376.254 2.527 20 0 GFADRO O=C(c1cc(=O)[nH]c2ccc(Br)cc21)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000368389874 563870159 /nfs/dbraw/zinc/87/01/59/563870159.db2.gz ZIVQKJXCRRYCEA-YGRLFVJLSA-N 1 0 376.254 2.527 20 0 GFADRO C[C@@H]([NH3+])[C@@H](C)NC(=O)NCc1cc(Br)ccc1Br ZINC000418032403 563896462 /nfs/dbraw/zinc/89/64/62/563896462.db2.gz BPEZJNHMCZXGLF-HTQZYQBOSA-N 1 0 379.096 2.747 20 0 GFADRO CC[NH2+]CCNC(=O)NCc1cc(Br)ccc1Br ZINC000418051213 563897056 /nfs/dbraw/zinc/89/70/56/563897056.db2.gz XUGJGKZFTGKFPO-UHFFFAOYSA-N 1 0 379.096 2.620 20 0 GFADRO CC[C@H]1Cc2c(Br)cccc2CN1C(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000447065238 563873508 /nfs/dbraw/zinc/87/35/08/563873508.db2.gz AJFJBTZSOFLCHH-YJBOKZPZSA-N 1 0 392.341 2.502 20 0 GFADRO CC(C)[C@@](C)(C[NH3+])NC(=O)[C@@H]1CCCN(c2ccc(Br)cn2)C1 ZINC000368561379 563874283 /nfs/dbraw/zinc/87/42/83/563874283.db2.gz JYFBMCBIBLCITR-CXAGYDPISA-N 1 0 383.334 2.550 20 0 GFADRO C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(c3cccc(Br)c3)C2=O)CN1C1CC1 ZINC000447090339 563875004 /nfs/dbraw/zinc/87/50/04/563875004.db2.gz YCIKMLXNFYWCFI-HACGYAERSA-N 1 0 378.314 2.769 20 0 GFADRO CO[C@@H]1CCN(C(=O)N[C@H]2CCc3cc(Br)ccc32)[C@H](C[NH3+])C1 ZINC000417243006 563875373 /nfs/dbraw/zinc/87/53/73/563875373.db2.gz OCKOCBRSNZHOBM-LZWOXQAQSA-N 1 0 382.302 2.584 20 0 GFADRO CC1(C)CN(C(=O)NC[C@@H]2CCN(c3cccc(Br)c3)C2)CC[NH2+]1 ZINC000417265872 563875682 /nfs/dbraw/zinc/87/56/82/563875682.db2.gz VPBFDPRIWJVZMH-AWEZNQCLSA-N 1 0 395.345 2.669 20 0 GFADRO CC[NH2+][C@H](C)CNC(=O)NC[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000417262837 563875828 /nfs/dbraw/zinc/87/58/28/563875828.db2.gz OMQYKBHJMKBNQP-KGLIPLIRSA-N 1 0 383.334 2.573 20 0 GFADRO C[C@H]([NH2+]CCOc1ccc(S(C)(=O)=O)cc1)[C@@H]1OCCc2sccc21 ZINC000368633101 563876242 /nfs/dbraw/zinc/87/62/42/563876242.db2.gz MSSZFAAQRFAODC-UGSOOPFHSA-N 1 0 381.519 2.823 20 0 GFADRO O=C(NOCc1ccc(F)cc1Br)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000368701820 563877102 /nfs/dbraw/zinc/87/71/02/563877102.db2.gz MUZSNXSSRSOSFK-KGLIPLIRSA-N 1 0 386.265 2.946 20 0 GFADRO C[C@@H](CCCC[NH3+])NC(=O)NCc1cc(Br)c2c(c1)OCCO2 ZINC000417296593 563877705 /nfs/dbraw/zinc/87/77/05/563877705.db2.gz HQYJORWPDNZFEJ-NSHDSACASA-N 1 0 386.290 2.537 20 0 GFADRO CC(C)[N@H+](C)CCCNC(=O)C(=O)Nc1ccc(Cl)c(Br)c1 ZINC000447243860 563877920 /nfs/dbraw/zinc/87/79/20/563877920.db2.gz ILVODPXYFPXNTL-UHFFFAOYSA-N 1 0 390.709 2.888 20 0 GFADRO COC[C@@]1(CNC(=O)NCc2ccc(Br)cc2Cl)CCC[NH2+]1 ZINC000417335873 563877997 /nfs/dbraw/zinc/87/79/97/563877997.db2.gz GWPZPRNGYBUZKR-HNNXBMFYSA-N 1 0 390.709 2.670 20 0 GFADRO [NH3+][C@@H](CNS(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C1CC1 ZINC000447255663 563878388 /nfs/dbraw/zinc/87/83/88/563878388.db2.gz KOEFEWGEEYRCAM-NSHDSACASA-N 1 0 376.322 2.740 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)NC1(C)CC[NH2+]CC1 ZINC000417370054 563878514 /nfs/dbraw/zinc/87/85/14/563878514.db2.gz SDHRBDYERBBEHV-UHFFFAOYSA-N 1 0 397.317 2.527 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)N1CCCC[C@H]1C[NH3+] ZINC000417360725 563878546 /nfs/dbraw/zinc/87/85/46/563878546.db2.gz BIIDRGYPKONOEN-AWEZNQCLSA-N 1 0 397.317 2.609 20 0 GFADRO [NH3+]CCCOC1CCN(C(=O)NCc2sccc2Br)CC1 ZINC000417391905 563879367 /nfs/dbraw/zinc/87/93/67/563879367.db2.gz AWQZLKISQHMSBR-UHFFFAOYSA-N 1 0 376.320 2.550 20 0 GFADRO COC[C@@H](C)OC[C@@H](O)C[N@H+]1CC=C(c2cccc(Br)c2)CC1 ZINC000447295821 563879503 /nfs/dbraw/zinc/87/95/03/563879503.db2.gz MNZYQLKYDUPMAQ-KDOFPFPSSA-N 1 0 384.314 2.951 20 0 GFADRO [NH3+]C[C@H]1CC[C@@H](NC(=O)NCc2cc(Br)ccc2OC(F)F)C1 ZINC000417409104 563879622 /nfs/dbraw/zinc/87/96/22/563879622.db2.gz PLPRXYHIYUHNLN-JOYOIKCWSA-N 1 0 392.244 2.977 20 0 GFADRO C[C@@]1(C[NH3+])CCN(C(=O)NCc2cc(Br)ccc2OC(F)F)C1 ZINC000417416429 563879765 /nfs/dbraw/zinc/87/97/65/563879765.db2.gz ZYPIIBAEXNLQTH-HNNXBMFYSA-N 1 0 392.244 2.931 20 0 GFADRO CC(C)([NH3+])CNC(=O)NCC1(c2ccc(Br)cc2)CCOCC1 ZINC000417425987 563880052 /nfs/dbraw/zinc/88/00/52/563880052.db2.gz FNSQENWCXVMVIH-UHFFFAOYSA-N 1 0 384.318 2.534 20 0 GFADRO C[NH2+]CCC1CCN(C(=O)NCc2ccc(OC)c(Br)c2)CC1 ZINC000417434937 563880122 /nfs/dbraw/zinc/88/01/22/563880122.db2.gz YBIWDCSMDMYETE-UHFFFAOYSA-N 1 0 384.318 2.989 20 0 GFADRO C[C@@H]([NH3+])[C@H](C)NC(=O)NCC1(c2ccc(Br)cc2)CCOCC1 ZINC000417427186 563880251 /nfs/dbraw/zinc/88/02/51/563880251.db2.gz IMNBUZYLTFRDTD-OLZOCXBDSA-N 1 0 384.318 2.532 20 0 GFADRO CCCC[C@H](C[NH3+])NC(=O)NCCc1ccc(I)s1 ZINC000417439648 563880591 /nfs/dbraw/zinc/88/05/91/563880591.db2.gz MKNLJQWEWWXEMI-SNVBAGLBSA-N 1 0 395.310 2.712 20 0 GFADRO C[NH2+]C[C@H]1CCCN(C(=O)N[C@H]2CCN(c3ccc(Br)cc3)C2)C1 ZINC000417475782 563880659 /nfs/dbraw/zinc/88/06/59/563880659.db2.gz BGSIAMGKBKNZFL-ZBFHGGJFSA-N 1 0 395.345 2.669 20 0 GFADRO Cc1cc(C(=O)N[C@@H]2CC[NH2+][C@@H](C)C2)nn1-c1ccc(Br)cc1 ZINC000447512318 563882892 /nfs/dbraw/zinc/88/28/92/563882892.db2.gz PDIOSEWPDCPMPW-SMDDNHRTSA-N 1 0 377.286 2.814 20 0 GFADRO COCC[C@H](Cc1cccc(Br)c1)C(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000447520409 563882908 /nfs/dbraw/zinc/88/29/08/563882908.db2.gz TXWTVBWZBWCMDK-FRFSOERESA-N 1 0 383.330 2.901 20 0 GFADRO CCC([NH3+])(CC)CNC(=O)N[C@@H]1CCN(c2ccccc2Br)C1 ZINC000417601180 563886154 /nfs/dbraw/zinc/88/61/54/563886154.db2.gz KYMVKHLYOIOSEG-CYBMUJFWSA-N 1 0 383.334 2.845 20 0 GFADRO COC[C@@]1(CNC(=O)NCC2(c3cccc(Br)c3)CC2)CCC[NH2+]1 ZINC000417664249 563886921 /nfs/dbraw/zinc/88/69/21/563886921.db2.gz WGXUGCRMIGQNAB-SFHVURJKSA-N 1 0 396.329 2.549 20 0 GFADRO CC[C@@H](CNC(=O)N1CCCO[C@@H](C[NH3+])C1)Cc1cccc(Br)c1 ZINC000417718475 563887605 /nfs/dbraw/zinc/88/76/05/563887605.db2.gz HLAHTEYKIKKDLE-PBHICJAKSA-N 1 0 398.345 2.777 20 0 GFADRO COC[C@@]1(CNC(=O)NCC2(c3ccccc3Br)CC2)CCC[NH2+]1 ZINC000417730058 563888207 /nfs/dbraw/zinc/88/82/07/563888207.db2.gz LZPOUVDZHLPAJB-SFHVURJKSA-N 1 0 396.329 2.549 20 0 GFADRO O=S(=O)(Cc1cccc(C(F)(F)F)c1)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000369201760 563889276 /nfs/dbraw/zinc/88/92/76/563889276.db2.gz BVVLIXMJXYDPFK-INIZCTEOSA-N 1 0 376.444 2.999 20 0 GFADRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2S(=O)(=O)c2ccc(OC(F)F)c(F)c2)C1 ZINC000447877794 563890039 /nfs/dbraw/zinc/89/00/39/563890039.db2.gz IWPOXQCRVJECTJ-SMDDNHRTSA-N 1 0 378.416 2.532 20 0 GFADRO C[NH+]1CCC(N2CC[C@@H](NC(=O)c3csc(-c4cccs4)n3)C2)CC1 ZINC000369272547 563891103 /nfs/dbraw/zinc/89/11/03/563891103.db2.gz BWDTYLBRPMUZBD-CYBMUJFWSA-N 1 0 376.551 2.770 20 0 GFADRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNS(=O)(=O)c1cc2c(cc1Cl)OCCO2 ZINC000447939738 563891338 /nfs/dbraw/zinc/89/13/38/563891338.db2.gz LYOLXVCKOVLHJH-INIZCTEOSA-N 1 0 388.917 2.510 20 0 GFADRO C[C@H](Cc1ccc(F)c(Br)c1)NC(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000417901350 563891666 /nfs/dbraw/zinc/89/16/66/563891666.db2.gz NKBIXNAYKFCFEW-KWCYVHTRSA-N 1 0 384.293 2.770 20 0 GFADRO O=C(NCc1ccc(O)c(Br)c1)NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000417906015 563891741 /nfs/dbraw/zinc/89/17/41/563891741.db2.gz ZAUJKYDCXVRDMI-INIZCTEOSA-N 1 0 390.281 2.841 20 0 GFADRO C[C@H]([NH2+]Cc1ccc(F)cc1I)[C@H](C)N1CCOCC1 ZINC000417906346 563891799 /nfs/dbraw/zinc/89/17/99/563891799.db2.gz ADPCRXQWYSVGQE-RYUDHWBXSA-N 1 0 392.256 2.629 20 0 GFADRO CCn1nncc1C[NH2+]CCSCCOc1cccc(Br)c1 ZINC000417930813 563892426 /nfs/dbraw/zinc/89/24/26/563892426.db2.gz USJMWUXTCYIHKE-UHFFFAOYSA-N 1 0 385.331 2.962 20 0 GFADRO [NH3+][C@H](CNC(=O)NCCCOc1ncc(C(F)(F)F)cc1Cl)C1CC1 ZINC000417956356 563892780 /nfs/dbraw/zinc/89/27/80/563892780.db2.gz IEPBIJSDHKLTKE-GFCCVEGCSA-N 1 0 380.798 2.559 20 0 GFADRO CO[C@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)N1CCC(C[NH3+])CC1 ZINC000417981536 563893399 /nfs/dbraw/zinc/89/33/99/563893399.db2.gz JZOYRLPOZBZRPT-WBMJQRKESA-N 1 0 384.318 2.905 20 0 GFADRO CCn1cc(Br)cc1C(=O)N[C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@H]1C ZINC000369358590 563893893 /nfs/dbraw/zinc/89/38/93/563893893.db2.gz MMECBLJEGGXRDW-VNQPRFMTSA-N 1 0 398.345 2.890 20 0 GFADRO O=C(NCCc1c[nH]c2ccc(Br)cc12)NCC[C@H]1CCC[NH2+]1 ZINC000417998649 563894269 /nfs/dbraw/zinc/89/42/69/563894269.db2.gz HHUSCWBXFHSTGV-CQSZACIVSA-N 1 0 379.302 2.914 20 0 GFADRO CC(C)C[N@@H+]1CCC[C@H](CNS(=O)(=O)c2ccc(C(F)(F)F)cn2)C1 ZINC000448160127 563894716 /nfs/dbraw/zinc/89/47/16/563894716.db2.gz OIULITHNVLYAKI-CYBMUJFWSA-N 1 0 379.448 2.747 20 0 GFADRO O=C(NCCc1c[nH]c2ccc(Br)cc12)N[C@H]1CCCC[NH2+]C1 ZINC000418000691 563894698 /nfs/dbraw/zinc/89/46/98/563894698.db2.gz JUFPOTWPUWCXJL-AWEZNQCLSA-N 1 0 379.302 2.914 20 0 GFADRO [NH3+]C[C@@H]1CC[C@H](NC(=O)NCCc2c[nH]c3ccc(Br)cc23)C1 ZINC000418002799 563894711 /nfs/dbraw/zinc/89/47/11/563894711.db2.gz MMUOWCUKUVMXDG-RISCZKNCSA-N 1 0 379.302 2.900 20 0 GFADRO COc1cc(Br)ccc1CCCNC(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000418007485 563895173 /nfs/dbraw/zinc/89/51/73/563895173.db2.gz RELKYYKFKRJGSF-IUODEOHRSA-N 1 0 384.318 2.688 20 0 GFADRO CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)N(C)C1CC[NH2+]CC1 ZINC000418006233 563895220 /nfs/dbraw/zinc/89/52/20/563895220.db2.gz ZNQRREDDHZAMRJ-LRDDRELGSA-N 1 0 384.318 2.919 20 0 GFADRO CCCOC[C@@H](Cc1cccc(Br)c1)NC(=O)N1CC[C@H]([NH3+])C1 ZINC000418022211 563895569 /nfs/dbraw/zinc/89/55/69/563895569.db2.gz AMRDIGQETFSKPT-JKSUJKDBSA-N 1 0 384.318 2.529 20 0 GFADRO CCCOC[C@H](Cc1cccc(Br)c1)NC(=O)N[C@H](C)CC[NH3+] ZINC000418029680 563895821 /nfs/dbraw/zinc/89/58/21/563895821.db2.gz LOJVSKOYWWNMEG-CJNGLKHVSA-N 1 0 386.334 2.823 20 0 GFADRO CCn1c(CNC(=O)N2CC[C@@H]([NH3+])[C@@H](C)C2)nc2cc(Br)ccc21 ZINC000418060779 563897431 /nfs/dbraw/zinc/89/74/31/563897431.db2.gz CZSYJMICCDGHKP-WCQYABFASA-N 1 0 394.317 2.697 20 0 GFADRO O=C(N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000418081131 563897679 /nfs/dbraw/zinc/89/76/79/563897679.db2.gz NPRDNGDDGOFEOD-VNHYZAJKSA-N 1 0 383.323 2.823 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)N[C@@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)CC[NH2+]1 ZINC000418080772 563897854 /nfs/dbraw/zinc/89/78/54/563897854.db2.gz MXZDYARMRHSCLE-MPKXVKKWSA-N 1 0 385.295 2.538 20 0 GFADRO CCCC[C@@H](C[NH3+])NC(=O)NCc1cnn(-c2ccc(Br)cc2)c1 ZINC000418088154 563898052 /nfs/dbraw/zinc/89/80/52/563898052.db2.gz JNNCRWBDNZLVQV-HNNXBMFYSA-N 1 0 394.317 2.952 20 0 GFADRO O=C(N[C@@H]1CSc2ccc(Br)cc21)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000418090029 563898595 /nfs/dbraw/zinc/89/85/95/563898595.db2.gz CCSCWGSHVYBVMQ-LEWSCRJBSA-N 1 0 382.327 2.989 20 0 GFADRO O=C(N[C@@H]1CSc2ccc(Br)cc21)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000418092074 563898600 /nfs/dbraw/zinc/89/86/00/563898600.db2.gz FDWZCVOUBVBOEK-CJNGLKHVSA-N 1 0 382.327 2.991 20 0 GFADRO CCS(=O)(=O)c1ccc(CNC(=O)NCc2ccc([C@H](C)[NH3+])cc2)s1 ZINC000418103494 563899021 /nfs/dbraw/zinc/89/90/21/563899021.db2.gz JBAWXMNDYSAHFJ-LBPRGKRZSA-N 1 0 381.523 2.561 20 0 GFADRO C[C@@H](CCc1ccc(I)cc1)NC(=O)NC(C)(C)C[NH3+] ZINC000418109846 563899156 /nfs/dbraw/zinc/89/91/56/563899156.db2.gz AETAWXKJFVRBNV-NSHDSACASA-N 1 0 389.281 2.649 20 0 GFADRO C[C@H](C[NH3+])CNC(=O)N[C@H](C)CCc1ccc(I)cc1 ZINC000418116505 563899416 /nfs/dbraw/zinc/89/94/16/563899416.db2.gz QUWKVAKUNZDJTB-VXGBXAGGSA-N 1 0 389.281 2.506 20 0 GFADRO C[C@@H](CCC[NH3+])NC(=O)NCc1ccc(I)cc1Cl ZINC000418125543 563899473 /nfs/dbraw/zinc/89/94/73/563899473.db2.gz NVALTQNCWURULB-VIFPVBQESA-N 1 0 395.672 2.871 20 0 GFADRO CC(C)(C[NH2+]Cc1cn2ccc(Br)cc2n1)C1(O)CCOCC1 ZINC000418135814 563899862 /nfs/dbraw/zinc/89/98/62/563899862.db2.gz RGUHMTHFQQLDKS-UHFFFAOYSA-N 1 0 382.302 2.754 20 0 GFADRO Fc1ccc(C[NH2+][C@H]2CCN(CC(F)F)C2)c(I)c1 ZINC000418134717 563900059 /nfs/dbraw/zinc/90/00/59/563900059.db2.gz NYCCGUGQYICBES-NSHDSACASA-N 1 0 384.183 2.859 20 0 GFADRO [NH3+]C1(CNC(=O)N[C@@H]2COc3cc(F)c(Br)cc32)CCCCC1 ZINC000418153331 563900305 /nfs/dbraw/zinc/90/03/05/563900305.db2.gz ISCZJLVCBMKULM-CYBMUJFWSA-N 1 0 386.265 2.983 20 0 GFADRO O=C(N[C@@H]1CCOc2c(Br)cccc21)N[C@H]1C[NH2+]CCC1(F)F ZINC000418167002 563900337 /nfs/dbraw/zinc/90/03/37/563900337.db2.gz VDICEICWGBTYDU-NEPJUHHUSA-N 1 0 390.228 2.569 20 0 GFADRO C[C@@H](CNC(=O)c1ccc(I)cc1F)C[NH+]1CCCC1 ZINC000448741670 563900590 /nfs/dbraw/zinc/90/05/90/563900590.db2.gz WXXXJYQRXIBIRW-NSHDSACASA-N 1 0 390.240 2.892 20 0 GFADRO C[C@H]1C[C@H](NC(=O)NCCc2c[nH]c3cccc(Br)c23)CC[NH2+]1 ZINC000418192983 563900798 /nfs/dbraw/zinc/90/07/98/563900798.db2.gz BFDGQDACIRMSPG-WCQYABFASA-N 1 0 379.302 2.913 20 0 GFADRO COCCC[NH+]1CCC(NC(=O)Cc2ccc(C)cc2Br)CC1 ZINC000448877337 563902799 /nfs/dbraw/zinc/90/27/99/563902799.db2.gz FGEZMMATJKKPBO-UHFFFAOYSA-N 1 0 383.330 2.917 20 0 GFADRO CC(C)C[C@H](CNC(=O)c1cccnc1-n1cc(Br)cn1)[NH+](C)C ZINC000448966732 563904210 /nfs/dbraw/zinc/90/42/10/563904210.db2.gz AIVXHWLOHZLVLC-CQSZACIVSA-N 1 0 394.317 2.736 20 0 GFADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[N@H+](C)CCOCC1CC1 ZINC000449036374 563905951 /nfs/dbraw/zinc/90/59/51/563905951.db2.gz JMGFTOZIOIUKII-CYBMUJFWSA-N 1 0 399.329 2.821 20 0 GFADRO Cc1cccc(CC[NH+]2CCC(N(CC(F)(F)F)S(C)(=O)=O)CC2)c1 ZINC000449037512 563906127 /nfs/dbraw/zinc/90/61/27/563906127.db2.gz ZGBGSOIGOAPGIZ-UHFFFAOYSA-N 1 0 378.460 2.826 20 0 GFADRO C[C@H](C[NH2+]CCN1CCc2sccc2C1)c1ccc(S(C)(=O)=O)cc1 ZINC000449094784 563906608 /nfs/dbraw/zinc/90/66/08/563906608.db2.gz UECZTTKZIARZHF-OAHLLOKOSA-N 1 0 378.563 2.903 20 0 GFADRO CCN(CC)S(=O)(=O)CC[NH2+][C@H]1CCc2c1ccc(F)c2Br ZINC000449145000 563907575 /nfs/dbraw/zinc/90/75/75/563907575.db2.gz KEKFTDSSSFZGLO-AWEZNQCLSA-N 1 0 393.322 2.837 20 0 GFADRO O=S(=O)(Cc1ccon1)NCC[NH2+][C@H]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000449179290 563907695 /nfs/dbraw/zinc/90/76/95/563907695.db2.gz VILJMRMFTLUWOA-HOCLYGCPSA-N 1 0 383.901 2.673 20 0 GFADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[N@H+](C)CC[C@@H]1CCCO1 ZINC000449268374 564178005 /nfs/dbraw/zinc/17/80/05/564178005.db2.gz GIGDGRQNMYMADC-CJNGLKHVSA-N 1 0 399.329 2.963 20 0 GFADRO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CCn1cnnc1C1CC1 ZINC000537970435 564178401 /nfs/dbraw/zinc/17/84/01/564178401.db2.gz VEMLKDPTWMWFAC-GFCCVEGCSA-N 1 0 392.301 2.925 20 0 GFADRO CCOCCOC[C@@H](O)C[NH2+]Cc1ccnc2c(Br)cccc12 ZINC000449283534 564178613 /nfs/dbraw/zinc/17/86/13/564178613.db2.gz LHCBQGTZIXZRNQ-AWEZNQCLSA-N 1 0 383.286 2.501 20 0 GFADRO Cc1sc2nc(CS[C@H](C)C(=O)N[C@@H](C)C[C@H](C)[NH3+])[nH]c(=O)c2c1C ZINC000563168788 564178965 /nfs/dbraw/zinc/17/89/65/564178965.db2.gz APLPNDDWRHUMBX-HOTUBEGUSA-N 1 0 382.555 2.877 20 0 GFADRO CC[NH+]1CCN(CCCNC(=O)[C@H]2CCc3cc(Br)ccc32)CC1 ZINC000563182873 564179586 /nfs/dbraw/zinc/17/95/86/564179586.db2.gz PZAYEGUHGDNORG-SFHVURJKSA-N 1 0 394.357 2.623 20 0 GFADRO COC(=O)COC[C@H](C)[NH2+]Cc1ccc(I)cc1Cl ZINC000449304773 564179676 /nfs/dbraw/zinc/17/96/76/564179676.db2.gz ZXMSXWJFFIRDKT-VIFPVBQESA-N 1 0 397.640 2.612 20 0 GFADRO COc1cccc(Sc2ccccc2C[NH2+]CCS(=O)(=O)N(C)C)c1 ZINC000449333884 564180543 /nfs/dbraw/zinc/18/05/43/564180543.db2.gz IAJIPCBFCDLHBA-UHFFFAOYSA-N 1 0 380.535 2.827 20 0 GFADRO Fc1cccc(C[NH2+]C[C@@H](N2CCOCC2)C(F)(F)F)c1Br ZINC000449317170 564180793 /nfs/dbraw/zinc/18/07/93/564180793.db2.gz BNKKOLUWISGNOP-GFCCVEGCSA-N 1 0 385.199 2.941 20 0 GFADRO C[C@@H](CCc1ccc2c(c1)OCO2)[NH2+]CCn1cc(Br)ccc1=O ZINC000449379799 564182930 /nfs/dbraw/zinc/18/29/30/564182930.db2.gz USYGRYFRMDMFSX-ZDUSSCGKSA-N 1 0 393.281 2.950 20 0 GFADRO O=c1ccc(Br)cn1CC[NH2+]C1CCN(c2ccccc2)CC1 ZINC000449376329 564183103 /nfs/dbraw/zinc/18/31/03/564183103.db2.gz LLNKXORZYNOBDS-UHFFFAOYSA-N 1 0 376.298 2.869 20 0 GFADRO Cc1ccc(-c2n[nH]cc2C[NH2+]CCn2cc(Br)ccc2=O)o1 ZINC000449376072 564183113 /nfs/dbraw/zinc/18/31/13/564183113.db2.gz KIWPUVYMTPPIHL-UHFFFAOYSA-N 1 0 377.242 2.692 20 0 GFADRO OCCCN1CCC[C@H]([NH2+]Cc2cc(Br)ccc2OC(F)F)C1 ZINC000449398707 564183973 /nfs/dbraw/zinc/18/39/73/564183973.db2.gz WAIDBHLBFBCZAF-AWEZNQCLSA-N 1 0 393.272 2.987 20 0 GFADRO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]C[C@H]1CCCN1CCCO ZINC000449390420 564184961 /nfs/dbraw/zinc/18/49/61/564184961.db2.gz WATFZBXNBIRKTF-RHSMWYFYSA-N 1 0 398.345 2.603 20 0 GFADRO CCN1C[C@H]([NH2+]C2CCN(Cc3ccccc3Br)CC2)CC1=O ZINC000449524091 564189689 /nfs/dbraw/zinc/18/96/89/564189689.db2.gz ZUCQREPEMNGXDS-MRXNPFEDSA-N 1 0 380.330 2.624 20 0 GFADRO Cc1nn2c(C[NH2+][C@H]3CC(=O)N(c4ccccc4Cl)C3)c(C)nc2s1 ZINC000538399977 564189693 /nfs/dbraw/zinc/18/96/93/564189693.db2.gz CLRWVEXMXCZBPM-LBPRGKRZSA-N 1 0 375.885 2.956 20 0 GFADRO COCC(COC)[NH2+]C1CCN(C(=O)c2ccc(Br)cc2C)CC1 ZINC000449543286 564190235 /nfs/dbraw/zinc/19/02/35/564190235.db2.gz OEYNWDCGICJUKP-UHFFFAOYSA-N 1 0 399.329 2.613 20 0 GFADRO COc1ccc(Br)c([C@@H](CO)N(C)C(=O)C[N@@H+]2CCC(C)(C)C2)c1 ZINC000563409054 564190551 /nfs/dbraw/zinc/19/05/51/564190551.db2.gz UFIYNCUPVDGKTO-MRXNPFEDSA-N 1 0 399.329 2.681 20 0 GFADRO COC(=O)c1ccc(C[NH2+]C[C@H](CO)Cc2cc(Br)ccc2F)[nH]1 ZINC000449597555 564190774 /nfs/dbraw/zinc/19/07/74/564190774.db2.gz FRVHKRAZUIMWOS-LLVKDONJSA-N 1 0 399.260 2.644 20 0 GFADRO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)Nc1ccc(Br)cc1 ZINC000563446865 564191420 /nfs/dbraw/zinc/19/14/20/564191420.db2.gz ATKGCHUISAUBOZ-CYBMUJFWSA-N 1 0 382.302 2.624 20 0 GFADRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)c1ccc(I)cc1Cl ZINC000505896918 564192142 /nfs/dbraw/zinc/19/21/42/564192142.db2.gz XGCVANMZBFLLEH-DTWKUNHWSA-N 1 0 378.641 2.767 20 0 GFADRO COc1cccc(C[NH2+]C[C@@H](CO)Cc2cc(Br)ccc2F)n1 ZINC000449602848 564192431 /nfs/dbraw/zinc/19/24/31/564192431.db2.gz UPZSNTQUVAMXMK-LBPRGKRZSA-N 1 0 383.261 2.933 20 0 GFADRO CN(C(=O)Nc1cc(Cl)ccc1I)[C@@H]1CC[NH2+]C1 ZINC000563494249 564193142 /nfs/dbraw/zinc/19/31/42/564193142.db2.gz IOGZOHAKBVCQMH-SECBINFHSA-N 1 0 379.629 2.770 20 0 GFADRO C[C@@H](Cn1cc(Br)cn1)Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)cn1 ZINC000538558510 564193206 /nfs/dbraw/zinc/19/32/06/564193206.db2.gz DONUIAMNOYNKHE-XJKSGUPXSA-N 1 0 393.333 2.682 20 0 GFADRO C[C@H](Cn1cc(Br)cn1)[NH2+]C[C@H](c1nnc[nH]1)c1ccccc1 ZINC000449672965 564194038 /nfs/dbraw/zinc/19/40/38/564194038.db2.gz YNBMNTLQZFCIJA-DOMZBBRYSA-N 1 0 375.274 2.574 20 0 GFADRO CCS(=O)(=O)c1ccc(CNC(=O)NCC(C)(C)[NH+]2CCCCC2)s1 ZINC000471497387 564195842 /nfs/dbraw/zinc/19/58/42/564195842.db2.gz WGLCBKOKIAYXPT-UHFFFAOYSA-N 1 0 387.571 2.605 20 0 GFADRO COC(=O)c1ccc(C[NH2+]C[C@H](CO)Cc2ccc(F)c(Br)c2)[nH]1 ZINC000449685833 564196873 /nfs/dbraw/zinc/19/68/73/564196873.db2.gz UGCNVCBCEPUXFN-GFCCVEGCSA-N 1 0 399.260 2.644 20 0 GFADRO COc1cc(C)c(Br)cc1C(=O)NCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000506136910 564197279 /nfs/dbraw/zinc/19/72/79/564197279.db2.gz MBCSYMDKMDCOMA-KBPBESRZSA-N 1 0 399.329 2.995 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000449717155 564198094 /nfs/dbraw/zinc/19/80/94/564198094.db2.gz DKZKDHFTUTUILC-RBSFLKMASA-N 1 0 384.567 2.595 20 0 GFADRO [NH3+]CC[C@H](NC(=O)CCc1nc(-c2ccc(Cl)cc2)no1)C(F)(F)F ZINC000449722106 564198773 /nfs/dbraw/zinc/19/87/73/564198773.db2.gz PEZZFFLIXKPMRO-NSHDSACASA-N 1 0 376.766 2.719 20 0 GFADRO CCc1nc(C(=O)N[C@H]2CC[C@@H](C[NH3+])C2)nn1-c1c(Cl)cccc1Cl ZINC000449724319 564198859 /nfs/dbraw/zinc/19/88/59/564198859.db2.gz YCPJRHSDBBTVBK-MNOVXSKESA-N 1 0 382.295 2.994 20 0 GFADRO [NH3+]CC[C@@H](NC(=O)c1cnn(-c2cccc(Br)c2)c1)C(F)(F)F ZINC000449723117 564198860 /nfs/dbraw/zinc/19/88/60/564198860.db2.gz QQNVQRXMXZSPGO-GFCCVEGCSA-N 1 0 391.191 2.644 20 0 GFADRO COc1ccc(CC[NH2+][C@@H]2CCc3cc(Cl)ccc32)cc1S(N)(=O)=O ZINC000506217579 564198895 /nfs/dbraw/zinc/19/88/95/564198895.db2.gz JMHMPEMILIFDQU-MRXNPFEDSA-N 1 0 380.897 2.816 20 0 GFADRO COCC[N@@H+]1CC[C@H](NC(=O)N(C)[C@@H](C)c2ccccc2Br)C1 ZINC000506318110 564200546 /nfs/dbraw/zinc/20/05/46/564200546.db2.gz PKVRKWZWGPIGFB-KBPBESRZSA-N 1 0 384.318 2.872 20 0 GFADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000449840515 564205791 /nfs/dbraw/zinc/20/57/91/564205791.db2.gz HHRBMIUMSQBSGG-YESZJQIVSA-N 1 0 381.314 2.780 20 0 GFADRO C[C@H](CNC(=O)[C@@H]1Cc2cc(Br)ccc2O1)[NH+]1CCC(C)CC1 ZINC000471873760 564205942 /nfs/dbraw/zinc/20/59/42/564205942.db2.gz DVTKEUPEEASLLU-DYVFJYSZSA-N 1 0 381.314 2.989 20 0 GFADRO Cc1ccc(Br)cc1CC(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000449894767 564207413 /nfs/dbraw/zinc/20/74/13/564207413.db2.gz BYMVTABHHQPONK-UHFFFAOYSA-N 1 0 395.341 2.871 20 0 GFADRO CSCC[C@@H]([NH3+])C(=O)Nc1cccc(NS(=O)(=O)c2ccccc2)c1 ZINC000506644747 564207458 /nfs/dbraw/zinc/20/74/58/564207458.db2.gz DHAWNXNUMHGVRX-MRXNPFEDSA-N 1 0 379.507 2.506 20 0 GFADRO CC1=CC[N@H+](CCNC(=O)Cc2ccc(I)cc2)CC1 ZINC000506655610 564208088 /nfs/dbraw/zinc/20/80/88/564208088.db2.gz ULWDOWHWOWZCGQ-UHFFFAOYSA-N 1 0 384.261 2.602 20 0 GFADRO C[C@H]([NH2+][C@H]1CC(=O)N(CCN2CCOCC2)C1)c1cc(Cl)cc(Cl)c1 ZINC000539085516 564208595 /nfs/dbraw/zinc/20/85/95/564208595.db2.gz XJXLOFZYFNZTHH-GUYCJALGSA-N 1 0 386.323 2.577 20 0 GFADRO C[C@H]([NH2+]CC1CCS(=O)(=O)CC1)c1ccccc1I ZINC000539049557 564208654 /nfs/dbraw/zinc/20/86/54/564208654.db2.gz UFMOWGRFMPCIKQ-NSHDSACASA-N 1 0 393.290 2.767 20 0 GFADRO C[C@H]1C[C@H](NC(=O)c2ccc(I)cc2F)CC[N@@H+]1C ZINC000449939311 564209694 /nfs/dbraw/zinc/20/96/94/564209694.db2.gz IQNOHKSTCWZSGH-GXSJLCMTSA-N 1 0 376.213 2.643 20 0 GFADRO CCOc1c(Br)cc(C(=O)NCC[N@H+]2CC=CCC2)cc1OC ZINC000506768439 564212083 /nfs/dbraw/zinc/21/20/83/564212083.db2.gz WTPARNRTUXHEMB-UHFFFAOYSA-N 1 0 383.286 2.848 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)[C@H]1Cc2cc(Br)ccc2O1 ZINC000472095913 564212705 /nfs/dbraw/zinc/21/27/05/564212705.db2.gz RCWPELLCYSBYBB-RHSMWYFYSA-N 1 0 379.298 2.886 20 0 GFADRO CC[C@H]1CN(C(=O)c2cc(Br)c(C)cc2C)CC[N@@H+]1C[C@H](C)O ZINC000450023100 564213350 /nfs/dbraw/zinc/21/33/50/564213350.db2.gz CVPIWNRSEXANNN-GJZGRUSLSA-N 1 0 383.330 2.983 20 0 GFADRO CC[NH+](CC)[C@H](C)CNC(=O)NCc1cn2cc(Br)cc(C)c2n1 ZINC000472175664 564214775 /nfs/dbraw/zinc/21/47/75/564214775.db2.gz SDNIGUCAXJSLRH-CYBMUJFWSA-N 1 0 396.333 2.935 20 0 GFADRO O=C([C@@H]1C[C@H]1c1ccc(Br)cc1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000450057862 564215516 /nfs/dbraw/zinc/21/55/16/564215516.db2.gz PSXAEPUKPWTNNL-JCGIZDLHSA-N 1 0 393.325 2.733 20 0 GFADRO Cc1ccc(Br)cc1CC(=O)Nc1ccc(=O)n(CC[NH+](C)C)c1 ZINC000450237571 564222893 /nfs/dbraw/zinc/22/28/93/564222893.db2.gz NYVGZLPQKACWGS-UHFFFAOYSA-N 1 0 392.297 2.662 20 0 GFADRO CC(C)[NH+]1CCC(O)(CNC(=O)[C@H]2C[C@@H]2c2ccc(Br)cc2)CC1 ZINC000472408075 564222914 /nfs/dbraw/zinc/22/29/14/564222914.db2.gz FKRSWWJVEFPJAO-SJORKVTESA-N 1 0 395.341 2.904 20 0 GFADRO C[N@H+](CCCNC(=O)Nc1ccncc1Br)Cc1ccccc1 ZINC000507238969 564223644 /nfs/dbraw/zinc/22/36/44/564223644.db2.gz SXCDPXWNWOMCNJ-UHFFFAOYSA-N 1 0 377.286 2.910 20 0 GFADRO CC[NH+](CC)[C@H](C)CNC(=O)NC[C@H](O)COc1cccc(Cl)c1Cl ZINC000472448017 564223682 /nfs/dbraw/zinc/22/36/82/564223682.db2.gz BLZVQPFQTOZFTM-OLZOCXBDSA-N 1 0 392.327 2.763 20 0 GFADRO C[C@@H]([NH2+]C[C@H]1CCCCN1S(C)(=O)=O)c1ccc(Br)cc1 ZINC000507268905 564224387 /nfs/dbraw/zinc/22/43/87/564224387.db2.gz UVSUMGUVVKGGHM-IUODEOHRSA-N 1 0 375.332 2.914 20 0 GFADRO CCN1CCN(C(=O)C(=O)Nc2cc(C)c(Br)c(C)c2)[C@@H](C)C1 ZINC000507300406 564225364 /nfs/dbraw/zinc/22/53/64/564225364.db2.gz IRSVODSZIKPXAV-ZDUSSCGKSA-N 1 0 382.302 2.557 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2C(=O)Cc1sccc1Br ZINC000450293385 564225514 /nfs/dbraw/zinc/22/55/14/564225514.db2.gz XHBNKNQIQGUPSU-KWCYVHTRSA-N 1 0 387.343 2.763 20 0 GFADRO CC(C)Oc1cc(Br)cc(C(=O)NCCNc2cc[nH+]cc2)c1 ZINC000472559423 564226069 /nfs/dbraw/zinc/22/60/69/564226069.db2.gz ZOJLWJACMQKPEI-UHFFFAOYSA-N 1 0 378.270 2.895 20 0 GFADRO CC[C@H](CO)[NH+]1CCN(c2ncc(Br)cc2C(F)(F)F)CC1 ZINC000450359754 564228920 /nfs/dbraw/zinc/22/89/20/564228920.db2.gz IHSINCFAHHVGTR-LLVKDONJSA-N 1 0 382.224 2.756 20 0 GFADRO CC[C@@H](c1ccc(Br)cc1)[N@@H+]1CCC[C@@H](CS(N)(=O)=O)C1 ZINC000472754449 564232382 /nfs/dbraw/zinc/23/23/82/564232382.db2.gz QJIMOXMYRBDNPZ-DOMZBBRYSA-N 1 0 375.332 2.901 20 0 GFADRO C[N@H+](Cc1c[nH]nc1-c1ccc(Cl)cc1)C1CCN(S(C)(=O)=O)CC1 ZINC000539927835 564233209 /nfs/dbraw/zinc/23/32/09/564233209.db2.gz UVJTWXVXUXGKPQ-UHFFFAOYSA-N 1 0 382.917 2.586 20 0 GFADRO Oc1cccc2c1C[C@H]([NH2+]Cc1cn(-c3ccccc3Br)nn1)C2 ZINC000564415313 564233898 /nfs/dbraw/zinc/23/38/98/564233898.db2.gz NKUZUYCDTKHQAI-CYBMUJFWSA-N 1 0 385.265 2.992 20 0 GFADRO CC[C@H](C)[NH2+][C@@H](CNS(=O)(=O)c1cccc2nsnc21)c1ccco1 ZINC000564478404 564235392 /nfs/dbraw/zinc/23/53/92/564235392.db2.gz SVRLLMBXPYLEKM-AAEUAGOBSA-N 1 0 380.495 2.692 20 0 GFADRO C[NH+]1CCC(C)(CNC(=O)c2ccc(I)cc2F)CC1 ZINC000450499751 564235557 /nfs/dbraw/zinc/23/55/57/564235557.db2.gz LPGRSPOZCMKSBF-UHFFFAOYSA-N 1 0 390.240 2.892 20 0 GFADRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)C(=O)Nc1cc(F)ccc1Br ZINC000507631979 564236288 /nfs/dbraw/zinc/23/62/88/564236288.db2.gz PCZGEPTZEZOENE-WCQYABFASA-N 1 0 398.276 2.612 20 0 GFADRO C[NH+]1CCC(C)(CNC(=O)Cc2ccccc2I)CC1 ZINC000507655883 564237696 /nfs/dbraw/zinc/23/76/96/564237696.db2.gz AJOKKVMYELDBHD-UHFFFAOYSA-N 1 0 386.277 2.682 20 0 GFADRO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3C[N@@H+]2Cc1cn(-c2ccccc2Br)nn1 ZINC000564532669 564237778 /nfs/dbraw/zinc/23/77/78/564237778.db2.gz HYLJIMQSKMLPQU-QHEVRDBASA-N 1 0 389.297 2.885 20 0 GFADRO Cc1cn2c(n1)[C@H](C[NH2+]C[C@@H](O)COc1cccc(Br)c1)CCC2 ZINC000564564443 564239431 /nfs/dbraw/zinc/23/94/31/564239431.db2.gz PAOKGRSKRNJGCC-GOEBONIOSA-N 1 0 394.313 2.861 20 0 GFADRO NS(=O)(=O)C[C@@H]1CCC[N@@H+]1CCCCOc1cccc(C(F)(F)F)c1 ZINC000564560976 564239810 /nfs/dbraw/zinc/23/98/10/564239810.db2.gz HWCMFKHUTPTBFT-AWEZNQCLSA-N 1 0 380.432 2.617 20 0 GFADRO O=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)[C@H]1Cc2cc(Br)ccc2O1 ZINC000473240797 564241864 /nfs/dbraw/zinc/24/18/64/564241864.db2.gz XFOFHRSAQRMMQY-DOTOQJQBSA-N 1 0 379.298 2.886 20 0 GFADRO CC1(C)CCC[N@H+](CCNC(=O)[C@H]2Cc3cc(Br)ccc3O2)C1 ZINC000473223608 564242060 /nfs/dbraw/zinc/24/20/60/564242060.db2.gz XMLQDYSXWGSFPI-MRXNPFEDSA-N 1 0 381.314 2.991 20 0 GFADRO Brc1cncc(Br)c1CN1CC[NH+](C2CC2)CC1 ZINC000564649162 564243451 /nfs/dbraw/zinc/24/34/51/564243451.db2.gz ZUZFNXPCOARWHL-UHFFFAOYSA-N 1 0 375.108 2.887 20 0 GFADRO O=C(NCCCCn1cc(Br)cn1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000473289530 564243625 /nfs/dbraw/zinc/24/36/25/564243625.db2.gz AZMQUTKAFYRLBJ-INIZCTEOSA-N 1 0 383.334 2.949 20 0 GFADRO CCCN(CC[NH+]1CCCC1)C(=O)C(=O)Nc1cccc(Br)c1 ZINC000507778151 564243787 /nfs/dbraw/zinc/24/37/87/564243787.db2.gz RDOSASRZGGQAAA-UHFFFAOYSA-N 1 0 382.302 2.722 20 0 GFADRO CC(=O)N1CCC[N@H+](C[C@H]2CCCN(c3ccc(Br)cn3)C2)CC1 ZINC000450770836 564246594 /nfs/dbraw/zinc/24/65/94/564246594.db2.gz JBQUDEVUEHXZJV-MRXNPFEDSA-N 1 0 395.345 2.615 20 0 GFADRO CC[NH+](CC)CCNC(=O)N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000473462758 564248102 /nfs/dbraw/zinc/24/81/02/564248102.db2.gz MRWPBGBYVOWTPU-AWEZNQCLSA-N 1 0 387.311 2.740 20 0 GFADRO CS[C@@H]1CN(Cc2ccc(I)cc2)C[C@@H]1[NH+](C)C ZINC000540578564 564252227 /nfs/dbraw/zinc/25/22/27/564252227.db2.gz NXOIVMODSNQGIS-UONOGXRCSA-N 1 0 376.307 2.769 20 0 GFADRO CS[C@H]1CN(C(=O)c2cc(C)n(-c3cccc(Cl)c3)n2)C[C@H]1[NH+](C)C ZINC000540805429 564256652 /nfs/dbraw/zinc/25/66/52/564256652.db2.gz IQPCKVXZPNYYPQ-SJORKVTESA-N 1 0 378.929 2.952 20 0 GFADRO Cc1ccc(CC(=O)N2CC[N@@H+](CC(C)(C)O)C[C@H]2C)c(Br)c1 ZINC000450970378 564257737 /nfs/dbraw/zinc/25/77/37/564257737.db2.gz QDKGEXRQEQLYPK-CQSZACIVSA-N 1 0 383.330 2.604 20 0 GFADRO CCN(CCC[NH+]1CCCC1)S(=O)(=O)c1cccc(Br)c1 ZINC000473945790 564258661 /nfs/dbraw/zinc/25/86/61/564258661.db2.gz FLPJZAYAFBBDLV-UHFFFAOYSA-N 1 0 375.332 2.946 20 0 GFADRO C[N@@H+]1CCN(CCNC(=O)c2ccc(Cl)c(Br)c2)CC1(C)C ZINC000508282235 564259802 /nfs/dbraw/zinc/25/98/02/564259802.db2.gz CKSLAFVJLWYWED-UHFFFAOYSA-N 1 0 388.737 2.858 20 0 GFADRO CN(CCC[NH+]1CCCC1)C(=O)c1ccc(I)c(F)c1 ZINC000508401333 564262604 /nfs/dbraw/zinc/26/26/04/564262604.db2.gz JYXRVCHDDCQQFS-UHFFFAOYSA-N 1 0 390.240 2.988 20 0 GFADRO Cn1c(-c2cc(F)ccc2Br)nnc1N1CC[NH+](CC2CC2)CC1 ZINC000508566970 564267055 /nfs/dbraw/zinc/26/70/55/564267055.db2.gz YMVPCBWYMYAJGZ-UHFFFAOYSA-N 1 0 394.292 2.916 20 0 GFADRO C[C@@H]1CCC[N@H+](CCNS(=O)(=O)Cc2ccc(Br)c(F)c2)C1 ZINC000451054179 564267980 /nfs/dbraw/zinc/26/79/80/564267980.db2.gz HTKCBLGFJNGIMY-GFCCVEGCSA-N 1 0 393.322 2.740 20 0 GFADRO CCC[N@H+](CC(=O)Nc1cccc(I)c1)CC(C)(C)O ZINC000474169449 564268471 /nfs/dbraw/zinc/26/84/71/564268471.db2.gz LBGUMIHTIGXKAF-UHFFFAOYSA-N 1 0 390.265 2.713 20 0 GFADRO CC(C)C[NH+]1CCN(C(=O)c2cc(I)ccc2F)CC1 ZINC000474219836 564270397 /nfs/dbraw/zinc/27/03/97/564270397.db2.gz XKFAYAAOWMPJLU-UHFFFAOYSA-N 1 0 390.240 2.844 20 0 GFADRO COc1cc(Br)ccc1CCC[N@@H+]1CCC[C@H](N2CCNC2=O)C1 ZINC000541282643 564272301 /nfs/dbraw/zinc/27/23/01/564272301.db2.gz PFIJIJUJWSHGAI-INIZCTEOSA-N 1 0 396.329 2.880 20 0 GFADRO CC(C)[NH2+]CC(=O)Nc1cc(Cl)c(NC(=O)c2cnccn2)c(Cl)c1 ZINC000565248545 564272875 /nfs/dbraw/zinc/27/28/75/564272875.db2.gz ABGAUDKNZCTCPU-UHFFFAOYSA-N 1 0 382.251 2.972 20 0 GFADRO C[C@H]1CN([C@H]2CCN(c3cccc(Br)c3)C2=O)CC[N@@H+](C2CC2)C1 ZINC000451092046 564273039 /nfs/dbraw/zinc/27/30/39/564273039.db2.gz LFTHGQATUXSTKL-KDOFPFPSSA-N 1 0 392.341 2.971 20 0 GFADRO O=C(CN1CC[NH2+]C[C@@H]1C(F)F)Nc1ccc(Br)cc1Cl ZINC000565302883 564275120 /nfs/dbraw/zinc/27/51/20/564275120.db2.gz HBOIZGAZNLEGOB-LLVKDONJSA-N 1 0 382.636 2.580 20 0 GFADRO C[C@H](CNC(=O)c1conc1C(C)(C)[NH3+])Oc1ccc(Br)cc1 ZINC000565315627 564275915 /nfs/dbraw/zinc/27/59/15/564275915.db2.gz XEGLYLPLZMAIDZ-SNVBAGLBSA-N 1 0 382.258 2.828 20 0 GFADRO CN1CCN(c2cc[nH+]cc2NC(=O)c2cccc(Br)c2F)CC1 ZINC000565338448 564276624 /nfs/dbraw/zinc/27/66/24/564276624.db2.gz WDVJJYKDTSSKLP-UHFFFAOYSA-N 1 0 393.260 2.987 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2cccc(Br)c2F)[C@@H](C)C1 ZINC000541387775 564277573 /nfs/dbraw/zinc/27/75/73/564277573.db2.gz ZDLHPCXXQWCHOO-AAEUAGOBSA-N 1 0 393.322 2.939 20 0 GFADRO C[C@@H]1CC[NH2+][C@H](C(=O)N2CCN(Cc3ccc(Br)s3)CC2)C1 ZINC000565364077 564277660 /nfs/dbraw/zinc/27/76/60/564277660.db2.gz FKSBPDYPLRGQRH-OCCSQVGLSA-N 1 0 386.359 2.543 20 0 GFADRO CC[NH+](CC)CCS(=O)(=O)N[C@H]1CCc2c1cccc2Br ZINC000565389744 564278900 /nfs/dbraw/zinc/27/89/00/564278900.db2.gz ANLFAXXZUVDUMC-HNNXBMFYSA-N 1 0 375.332 2.698 20 0 GFADRO CCOC[C@H](C)CS(=O)(=O)N(CC[NH+](C)C)Cc1cccc(Cl)c1 ZINC000451132789 564279300 /nfs/dbraw/zinc/27/93/00/564279300.db2.gz XXFGNBWOHGERAI-HNNXBMFYSA-N 1 0 376.950 2.706 20 0 GFADRO Ic1cnc(CN2CC[C@H]([NH+]3CCCCC3)C2)s1 ZINC000565450817 564281954 /nfs/dbraw/zinc/28/19/54/564281954.db2.gz QHNMIVRTTDMGPN-NSHDSACASA-N 1 0 377.295 2.808 20 0 GFADRO COc1cc(CN2CC[C@H]([NH3+])C[C@@H]2C)cc(I)c1OC ZINC000565488791 564282973 /nfs/dbraw/zinc/28/29/73/564282973.db2.gz STAXRQZOPPZXOW-JQWIXIFHSA-N 1 0 390.265 2.620 20 0 GFADRO COc1ccc(Br)c(C[NH2+][C@H](C)C2CCS(=O)(=O)CC2)c1 ZINC000474624526 564283383 /nfs/dbraw/zinc/28/33/83/564283383.db2.gz WVDDNPQZAZHFOZ-LLVKDONJSA-N 1 0 376.316 2.761 20 0 GFADRO COC(=O)C[C@@H]1CC[C@H]([NH2+]CCNC(=O)c2ccc(Br)cc2)[C@@H]1C ZINC000474626323 564283542 /nfs/dbraw/zinc/28/35/42/564283542.db2.gz DTLPWGLTBZAWNM-INWMFGNUSA-N 1 0 397.313 2.746 20 0 GFADRO C[C@H](CCc1ccc(I)cc1)[NH2+][C@@H](C)Cn1cncn1 ZINC000474622413 564283548 /nfs/dbraw/zinc/28/35/48/564283548.db2.gz LUFJEYNOTSRIFT-OLZOCXBDSA-N 1 0 384.265 2.882 20 0 GFADRO CCN(C(=O)[C@H](C)[NH2+][C@@H](CC(C)C)c1cccs1)[C@@H]1CCS(=O)(=O)C1 ZINC000541626334 564285269 /nfs/dbraw/zinc/28/52/69/564285269.db2.gz BJYCFQNLBWBTAD-XHSDSOJGSA-N 1 0 386.583 2.849 20 0 GFADRO CN(C(=O)c1cc(I)ccc1F)[C@@H]1CCC[N@H+](C)C1 ZINC000474691874 564286000 /nfs/dbraw/zinc/28/60/00/564286000.db2.gz PVALMYJDTFZXMQ-LLVKDONJSA-N 1 0 376.213 2.597 20 0 GFADRO CC[NH+](CC)CCOCCNC(=O)C1=Cc2cc(Br)ccc2OC1 ZINC000541753646 564287192 /nfs/dbraw/zinc/28/71/92/564287192.db2.gz VOQLLWFPEAGOLO-UHFFFAOYSA-N 1 0 397.313 2.700 20 0 GFADRO Brc1ccc2c(c1)C=C(C[NH2+]CCN1C[C@H]3CC[C@@H](C1)O3)CO2 ZINC000451219640 564288422 /nfs/dbraw/zinc/28/84/22/564288422.db2.gz DQSXLXISGWIASG-CALCHBBNSA-N 1 0 379.298 2.678 20 0 GFADRO O=C(N1CCc2c(Cl)cc(Cl)cc2C1)C1(n2cccn2)CC[NH2+]CC1 ZINC000565659342 564289855 /nfs/dbraw/zinc/28/98/55/564289855.db2.gz IRRQCJWRMVHRIR-UHFFFAOYSA-N 1 0 379.291 2.854 20 0 GFADRO C[C@@H](C1CC[NH+](C)CC1)N(C)S(=O)(=O)c1ccc(Br)c(F)c1 ZINC000541817140 564290039 /nfs/dbraw/zinc/29/00/39/564290039.db2.gz OXMKELPUPSFOSH-NSHDSACASA-N 1 0 393.322 2.939 20 0 GFADRO C[C@H]1CC[N@H+](C)CCN1S(=O)(=O)Cc1cc(Cl)ccc1Br ZINC000565654688 564290213 /nfs/dbraw/zinc/29/02/13/564290213.db2.gz SCKKWLKCQISPDG-NSHDSACASA-N 1 0 395.750 2.958 20 0 GFADRO C[N@H+]1CC=C(CNCc2c(F)ccc(I)c2F)CC1 ZINC000474877892 564292220 /nfs/dbraw/zinc/29/22/20/564292220.db2.gz IWLYSAJMTQJAMR-UHFFFAOYSA-N 1 0 378.204 2.921 20 0 GFADRO COCC[N@H+](C)CCCNC(=O)c1cc(F)c(Br)cc1Cl ZINC000474887602 564292662 /nfs/dbraw/zinc/29/26/62/564292662.db2.gz QKOKFCZGCYXOGR-UHFFFAOYSA-N 1 0 381.673 2.940 20 0 GFADRO CCCC[N@H+](C)C[C@@H](C)NC(=O)N[C@@H](CO)c1cccc(Br)c1 ZINC000565749509 564294273 /nfs/dbraw/zinc/29/42/73/564294273.db2.gz KSKYDEBSILWXGE-CJNGLKHVSA-N 1 0 386.334 2.902 20 0 GFADRO [NH3+]CCC(=O)NC[C@H]1CCCCN1Cc1cc(Br)cc(F)c1F ZINC000565779426 564295583 /nfs/dbraw/zinc/29/55/83/564295583.db2.gz JCQNZWUUSUJTFC-CYBMUJFWSA-N 1 0 390.272 2.547 20 0 GFADRO CC[C@H]1C[C@@H](C[NH2+]CCNS(=O)(=O)c2ccc(F)cc2Cl)CCO1 ZINC000509411524 564297433 /nfs/dbraw/zinc/29/74/33/564297433.db2.gz UPDYCGPFKHPBLW-JSGCOSHPSA-N 1 0 378.897 2.552 20 0 GFADRO C[C@@H](CCc1ccc(I)cc1)[NH2+]C[C@H]1CCCC(=O)N1 ZINC000475209044 564303023 /nfs/dbraw/zinc/30/30/23/564303023.db2.gz CNYCJJPUYSPWOP-SWLSCSKDSA-N 1 0 386.277 2.871 20 0 GFADRO CC(C)N1C(=O)C[C@@H]([NH2+][C@H](C)CS(C)(=O)=O)[C@H]1c1ccc(Cl)c(F)c1 ZINC000542160535 564303198 /nfs/dbraw/zinc/30/31/98/564303198.db2.gz PUXWFJQYCQUFRZ-RGYTYGDFSA-N 1 0 390.908 2.552 20 0 GFADRO Cc1ncsc1CCS(=O)(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000565991788 564304737 /nfs/dbraw/zinc/30/47/37/564304737.db2.gz CVDLFEAUZGBSIH-NVXWUHKLSA-N 1 0 379.551 2.576 20 0 GFADRO Cc1nccn1CC[NH2+]C[C@H](O)COc1ccc(Cl)cc1Br ZINC000566004935 564305566 /nfs/dbraw/zinc/30/55/66/564305566.db2.gz KKHACNZXCSAQKU-ZDUSSCGKSA-N 1 0 388.693 2.637 20 0 GFADRO CC[C@H](C(=O)NC[C@H](O)COc1cccc(Cl)c1Cl)[NH+](CC)CC ZINC000475341574 564305711 /nfs/dbraw/zinc/30/57/11/564305711.db2.gz GQMWRHXBPPOHIU-GXTWGEPZSA-N 1 0 377.312 2.970 20 0 GFADRO COc1ccc(Br)cc1CC(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000566008591 564305770 /nfs/dbraw/zinc/30/57/70/564305770.db2.gz RDCNINSZUJUYDO-ZIAGYGMSSA-N 1 0 381.314 2.848 20 0 GFADRO CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](O)COc1cccc(Cl)c1Cl ZINC000475358588 564307085 /nfs/dbraw/zinc/30/70/85/564307085.db2.gz PQHRDMQYRWKEHE-OCCSQVGLSA-N 1 0 375.296 2.724 20 0 GFADRO O[C@H](COc1ccc(Cl)cc1Br)C[N@@H+]1C[C@@H]2CC[C@@H](O)[C@@H]2C1 ZINC000542251583 564307449 /nfs/dbraw/zinc/30/74/49/564307449.db2.gz FPUILTQRVMXQKQ-MUYACECFSA-N 1 0 390.705 2.545 20 0 GFADRO C[C@@H]1CN(C(=O)C2CCN(C(=O)c3ccc(Cl)s3)CC2)[C@@H](C)C[N@@H+]1C ZINC000509651470 564307838 /nfs/dbraw/zinc/30/78/38/564307838.db2.gz KRHKNVZNKQSDKG-OLZOCXBDSA-N 1 0 383.945 2.805 20 0 GFADRO COC[C@]1(CNC(=O)c2ccn(-c3ccc(Cl)cc3Cl)n2)CCC[NH2+]1 ZINC000566101985 564309305 /nfs/dbraw/zinc/30/93/05/564309305.db2.gz BXOFJJNEYSRXFP-QGZVFWFLSA-N 1 0 383.279 2.678 20 0 GFADRO Cc1ccc(NC(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)[C@H]2C)cc1Br ZINC000509738290 564311164 /nfs/dbraw/zinc/31/11/64/564311164.db2.gz AEQVWFZINWOROM-CZUORRHYSA-N 1 0 394.313 2.781 20 0 GFADRO O[C@H](COc1cccc(Br)c1)C[N@@H+]1CCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000451410722 564311518 /nfs/dbraw/zinc/31/15/18/564311518.db2.gz CWDFXMRIROJBGJ-DZOHQFGASA-N 1 0 384.314 2.814 20 0 GFADRO Cc1ccc(NC(=O)[C@H](C)N2CC[C@@H](c3nnc[nH]3)C2)c(Br)c1 ZINC000566138170 564311650 /nfs/dbraw/zinc/31/16/50/564311650.db2.gz COSMFTPEUUNXSK-NWDGAFQWSA-N 1 0 378.274 2.692 20 0 GFADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)NCC[C@H]1CCOC1 ZINC000542449137 564313501 /nfs/dbraw/zinc/31/35/01/564313501.db2.gz DEDGIGJEMFGPFA-INIZCTEOSA-N 1 0 398.345 2.949 20 0 GFADRO C[C@@H](CC(=O)N(C)C)[NH2+]Cc1ccc(I)cc1Cl ZINC000475618642 564313526 /nfs/dbraw/zinc/31/35/26/564313526.db2.gz CJNDXJCTHMASBG-VIFPVBQESA-N 1 0 380.657 2.901 20 0 GFADRO COCCN(CC[NH+](C)C)C(=O)c1cc(F)c(Br)cc1Cl ZINC000475647668 564314196 /nfs/dbraw/zinc/31/41/96/564314196.db2.gz FWKKCLUKCUPBKC-UHFFFAOYSA-N 1 0 381.673 2.892 20 0 GFADRO O=S(=O)(NCC1CC[NH+](C2CC2)CC1)c1cccc(Br)c1F ZINC000542485261 564315303 /nfs/dbraw/zinc/31/53/03/564315303.db2.gz LNRNCDMCVRVULA-UHFFFAOYSA-N 1 0 391.306 2.741 20 0 GFADRO O=C(c1cnc2ccc(Br)cc2c1O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000542502415 564316158 /nfs/dbraw/zinc/31/61/58/564316158.db2.gz JXPJXQNZKAVJNQ-ZDUSSCGKSA-N 1 0 390.281 2.601 20 0 GFADRO COC1(C(=O)Nc2ccc(CN3CC[NH+](C)CC3)c(Br)c2)CCC1 ZINC000475747660 564317089 /nfs/dbraw/zinc/31/70/89/564317089.db2.gz NEKVIYVJWFZDTD-UHFFFAOYSA-N 1 0 396.329 2.704 20 0 GFADRO CN(C)S(=O)(=O)CCC[N@@H+](Cc1cccc(Br)c1)CC1CC1 ZINC000475737471 564317175 /nfs/dbraw/zinc/31/71/75/564317175.db2.gz CZMOXZWRUWSUPU-UHFFFAOYSA-N 1 0 389.359 2.943 20 0 GFADRO O=S(=O)(c1cccc(Br)c1F)N1CCC2(CC[NH2+]CC2)CC1 ZINC000566216568 564317437 /nfs/dbraw/zinc/31/74/37/564317437.db2.gz SVJMMEFFVYQYHS-UHFFFAOYSA-N 1 0 391.306 2.743 20 0 GFADRO CO[C@H]1C[C@H]([NH2+]CCS(=O)(=O)c2ccc(Br)cc2)C1(C)C ZINC000451475896 564317793 /nfs/dbraw/zinc/31/77/93/564317793.db2.gz DLWBJXCXJYYDRY-KBPBESRZSA-N 1 0 376.316 2.626 20 0 GFADRO CC(C)OCC(=O)Nc1ccc(CN2CC[NH+](C)CC2)c(Br)c1 ZINC000475753765 564318583 /nfs/dbraw/zinc/31/85/83/564318583.db2.gz SGFWIKYMBDGBBV-UHFFFAOYSA-N 1 0 384.318 2.560 20 0 GFADRO C[C@H]([NH2+]CC(=O)N1CCNC(=O)C1)c1ccc(-c2ccc(Cl)cc2)s1 ZINC000542630433 564319706 /nfs/dbraw/zinc/31/97/06/564319706.db2.gz DAIMPVWQYCDIFQ-LBPRGKRZSA-N 1 0 377.897 2.678 20 0 GFADRO CO[C@@H]1[C@H](C)[C@H]([NH2+]Cc2nnnn2-c2ccccc2Br)C1(C)C ZINC000451508803 564321242 /nfs/dbraw/zinc/32/12/42/564321242.db2.gz YIHMVXGJVOTUIK-WKPIXPDZSA-N 1 0 380.290 2.574 20 0 GFADRO CSc1ccc(NC(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1Cl ZINC000475977064 564325271 /nfs/dbraw/zinc/32/52/71/564325271.db2.gz NMMHIIASBKZGMX-GFCCVEGCSA-N 1 0 384.933 2.771 20 0 GFADRO CC[N@H+](CCNC(=O)NCc1cn2cc(Br)cc(C)c2n1)C(C)C ZINC000542771226 564325469 /nfs/dbraw/zinc/32/54/69/564325469.db2.gz ZVGWAIZNKSNRTN-UHFFFAOYSA-N 1 0 396.333 2.935 20 0 GFADRO CN(C)c1nccc(C[NH2+]CC2=Cc3cc(Br)ccc3OC2)n1 ZINC000542782167 564326051 /nfs/dbraw/zinc/32/60/51/564326051.db2.gz WSLMJAVUSWIIJH-UHFFFAOYSA-N 1 0 375.270 2.871 20 0 GFADRO C[C@H](C(=O)NC[C@@H]1CCCO1)N1CC[C@@H](c2cccc(Br)c2)C1 ZINC000451570308 564326818 /nfs/dbraw/zinc/32/68/18/564326818.db2.gz POSLIBKUPPJCJI-UNEWFSDZSA-N 1 0 381.314 2.922 20 0 GFADRO CSC1(CNS(=O)(=O)c2cccc3c(Cl)ccnc32)CC[NH+](C)CC1 ZINC000451574403 564327869 /nfs/dbraw/zinc/32/78/69/564327869.db2.gz VMEIMMXNXFWSHV-UHFFFAOYSA-N 1 0 399.969 2.994 20 0 GFADRO CSC[C@H]([NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1)c1ccc(C(F)(F)F)cc1 ZINC000542850542 564328416 /nfs/dbraw/zinc/32/84/16/564328416.db2.gz YVVQQMLKTZESFW-WFASDCNBSA-N 1 0 396.500 2.981 20 0 GFADRO CC[NH+](CC)CCOC1CCN(C(=O)c2ncccc2Br)CC1 ZINC000476211557 564330522 /nfs/dbraw/zinc/33/05/22/564330522.db2.gz VTQNZNZLRKZLLP-UHFFFAOYSA-N 1 0 384.318 2.807 20 0 GFADRO Cc1c2cccc(Br)c2oc1C(=O)NCCCN1CC[NH+](C)CC1 ZINC000542946301 564333234 /nfs/dbraw/zinc/33/32/34/564333234.db2.gz JTRNAAJCQCNBAD-UHFFFAOYSA-N 1 0 394.313 2.871 20 0 GFADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)CCc1ccc(Br)cc1OC ZINC000542985299 564334711 /nfs/dbraw/zinc/33/47/11/564334711.db2.gz AESAFNGLCFCSMS-INIZCTEOSA-N 1 0 399.329 2.617 20 0 GFADRO COc1cc(C[NH2+][C@@H](C)C[C@@H](C)O)cc(I)c1OC ZINC000543060502 564336281 /nfs/dbraw/zinc/33/62/81/564336281.db2.gz IYEWTYCWCJPASP-VHSXEESVSA-N 1 0 379.238 2.557 20 0 GFADRO C[C@@H]1CN(CC(=O)Nc2cc(Cl)c(Cl)cc2Cl)C[C@H](C)[N@H+]1CCO ZINC000451655295 564336357 /nfs/dbraw/zinc/33/63/57/564336357.db2.gz RRKJGLNUOVQVCE-PHIMTYICSA-N 1 0 394.730 2.972 20 0 GFADRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1S(=O)(=O)c1ccc(Br)c(F)c1 ZINC000510558222 564338726 /nfs/dbraw/zinc/33/87/26/564338726.db2.gz IVIXVYVOKUJFRW-VXGBXAGGSA-N 1 0 391.306 2.836 20 0 GFADRO C[C@@H](NC(=O)NCCOc1cccc(Br)c1)C1=CC[N@H+](C)CC1 ZINC000510574828 564339459 /nfs/dbraw/zinc/33/94/59/564339459.db2.gz QVYXQQQVRKAPEN-CYBMUJFWSA-N 1 0 382.302 2.778 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)CNC(=O)c2sc3ccccc3c2Cl)C1 ZINC000566736705 564340811 /nfs/dbraw/zinc/34/08/11/564340811.db2.gz NQAQGNNBBJCGDN-NWDGAFQWSA-N 1 0 379.913 2.870 20 0 GFADRO COc1cc(Br)ccc1CCCNC(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000543201223 564342914 /nfs/dbraw/zinc/34/29/14/564342914.db2.gz NZSSYKASIVNAJZ-HNNXBMFYSA-N 1 0 396.329 2.926 20 0 GFADRO CC[N@@H+]1CCCC[C@H]1CNS(=O)(=O)c1cccc(Br)c1F ZINC000543244354 564343625 /nfs/dbraw/zinc/34/36/25/564343625.db2.gz DIDARAMUGBCNSV-NSHDSACASA-N 1 0 379.295 2.741 20 0 GFADRO O=C(NCC[NH2+]C[C@H](O)COc1cc(Cl)ccc1Cl)c1ccccc1 ZINC000566850531 564347068 /nfs/dbraw/zinc/34/70/68/564347068.db2.gz FVWNGPMXMYSSKY-HNNXBMFYSA-N 1 0 383.275 2.753 20 0 GFADRO COCCN1CC[C@@H]([NH2+]C[C@@H]2CCN(c3cccc(Br)c3)C2)C1 ZINC000543397909 564349804 /nfs/dbraw/zinc/34/98/04/564349804.db2.gz CZGSQTKCUQIRKH-DOTOQJQBSA-N 1 0 382.346 2.586 20 0 GFADRO C[NH+](C)C[C@@H]1CCCCN1C(=O)c1cnc2ccc(Br)cc2c1O ZINC000543433894 564350450 /nfs/dbraw/zinc/35/04/50/564350450.db2.gz BBURKGUNLORIBF-ZDUSSCGKSA-N 1 0 392.297 2.847 20 0 GFADRO CS(=O)(=O)C[C@H]([NH2+][C@H]1CCN(c2ccc(Cl)cc2Cl)C1)C1CC1 ZINC000566964357 564351626 /nfs/dbraw/zinc/35/16/26/564351626.db2.gz CQXSTCCMMMCLJB-ZFWWWQNUSA-N 1 0 377.337 2.985 20 0 GFADRO C[N@@H+]1CC[C@H]2OCCN(C(=O)c3c(Cl)cc(F)cc3Br)[C@H]2C1 ZINC000451802802 564353259 /nfs/dbraw/zinc/35/32/59/564353259.db2.gz PEFQETWHMDELBV-QWHCGFSZSA-N 1 0 391.668 2.787 20 0 GFADRO COCC[C@@H]1CCC[C@@H]1[NH2+]CCNS(=O)(=O)c1ccc(F)cc1Cl ZINC000511013233 564354002 /nfs/dbraw/zinc/35/40/02/564354002.db2.gz HYIWXJWFKIJVSZ-WFASDCNBSA-N 1 0 378.897 2.552 20 0 GFADRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc(Cl)c1)c1cccc(S(N)(=O)=O)c1 ZINC000511031674 564354009 /nfs/dbraw/zinc/35/40/09/564354009.db2.gz OGIPKPHOBIWBRK-NEPJUHHUSA-N 1 0 381.885 2.665 20 0 GFADRO C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]CCOc1ccc(I)cc1 ZINC000511042071 564354469 /nfs/dbraw/zinc/35/44/69/564354469.db2.gz AQIOMVIKKZHMRY-WBMJQRKESA-N 1 0 386.277 2.742 20 0 GFADRO CC(=O)Nc1ccc(C[NH2+]C[C@H](O)COc2ccc(Cl)cc2Cl)cn1 ZINC000567043482 564354630 /nfs/dbraw/zinc/35/46/30/564354630.db2.gz ZRVWQGMBPVRNKH-AWEZNQCLSA-N 1 0 384.263 2.876 20 0 GFADRO CCS(=O)(=O)N1CCC(C[NH2+]Cc2ccccc2OC(F)(F)F)CC1 ZINC000543638371 564357083 /nfs/dbraw/zinc/35/70/83/564357083.db2.gz VQAPRQSEFIWFAB-UHFFFAOYSA-N 1 0 380.432 2.737 20 0 GFADRO COC(=O)C1(NC(=O)CN(C)Cc2cccc(Br)c2)CCCCC1 ZINC000511112566 564357646 /nfs/dbraw/zinc/35/76/46/564357646.db2.gz WBLQSICJAMXJHY-UHFFFAOYSA-N 1 0 397.313 2.873 20 0 GFADRO CC[C@H](C)[NH+]1CCN(C[C@@H](O)COc2cc(F)cc(Br)c2)CC1 ZINC000451843154 564358763 /nfs/dbraw/zinc/35/87/63/564358763.db2.gz NNNSJPPFIYHPEJ-XJKSGUPXSA-N 1 0 389.309 2.744 20 0 GFADRO CC[C@H]([NH2+]C[C@@H](O)COc1ccccc1C(F)(F)F)[C@@H](O)C(F)(F)F ZINC000567235603 564363126 /nfs/dbraw/zinc/36/31/26/564363126.db2.gz RBBFYNSCFQLTJI-SUZMYJTESA-N 1 0 375.309 2.737 20 0 GFADRO COCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](Cc2ccc(Br)cc2OC)C1 ZINC000543780504 564363209 /nfs/dbraw/zinc/36/32/09/564363209.db2.gz BHJXRWOTSQEKLT-UKRRQHHQSA-N 1 0 399.329 2.821 20 0 GFADRO C[NH+](C)C[C@@H]1CCCN1C(=O)c1ccc(F)c(I)c1 ZINC000477059391 564363604 /nfs/dbraw/zinc/36/36/04/564363604.db2.gz BJUBPLJQUKDIJN-NSHDSACASA-N 1 0 376.213 2.597 20 0 GFADRO C[C@H](CNC(=O)CCc1nnc(-c2cc(F)ccc2Br)o1)[NH+](C)C ZINC000511297528 564366579 /nfs/dbraw/zinc/36/65/79/564366579.db2.gz OUFWFHYVCLSFTF-SNVBAGLBSA-N 1 0 399.264 2.637 20 0 GFADRO COC[C@@]1(CO)CCN(Cc2ncc(-c3ccccc3Br)o2)C1 ZINC000451934592 564369473 /nfs/dbraw/zinc/36/94/73/564369473.db2.gz VMGWNIOUOGOZMH-KRWDZBQOSA-N 1 0 381.270 2.935 20 0 GFADRO C[C@H](CC[NH3+])NC(=O)c1ccc(Br)cc1I ZINC000477314830 564373290 /nfs/dbraw/zinc/37/32/90/564373290.db2.gz PPQRJKXNBKROFP-SSDOTTSWSA-N 1 0 397.054 2.521 20 0 GFADRO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+][C@H]1COc2cc(F)ccc2C1 ZINC000567522285 564375523 /nfs/dbraw/zinc/37/55/23/564375523.db2.gz LEPQCYCBYJVGFV-XHDPSFHLSA-N 1 0 381.245 2.732 20 0 GFADRO C[C@](CO)([NH2+]C[C@H](O)COc1ccc(F)cc1)c1ccc(Br)cc1 ZINC000511606799 564377467 /nfs/dbraw/zinc/37/74/67/564377467.db2.gz XVRGKVBJIKMVST-FUHWJXTLSA-N 1 0 398.272 2.825 20 0 GFADRO COCC[NH2+]C1CCN(Cc2cn(-c3ccc(Cl)c(Cl)c3)nn2)CC1 ZINC000567592957 564378352 /nfs/dbraw/zinc/37/83/52/564378352.db2.gz LSBQINWQJYLTNU-UHFFFAOYSA-N 1 0 384.311 2.775 20 0 GFADRO COc1cc(C)c(Br)cc1NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC000567625792 564380773 /nfs/dbraw/zinc/38/07/73/564380773.db2.gz WWFUMHHQYDCFJE-UHFFFAOYSA-N 1 0 381.274 2.777 20 0 GFADRO COCCN1CC[C@H]([NH2+][C@H](C)c2cc3c(cc2Br)OCCO3)C1 ZINC000544350407 564383089 /nfs/dbraw/zinc/38/30/89/564383089.db2.gz BILHZKMBNJGBFI-OLZOCXBDSA-N 1 0 385.302 2.592 20 0 GFADRO C[C@H]1[C@@H](NC(=O)C(=O)Nc2cc(Cl)cc(C(F)(F)F)c2)CCC[N@@H+]1C ZINC000477643277 564383112 /nfs/dbraw/zinc/38/31/12/564383112.db2.gz KMMABDBGQXKSLW-ZANVPECISA-N 1 0 377.794 2.896 20 0 GFADRO C[N@H+](CC(=O)NCc1ccc(Cl)s1)C1CCN(CC(F)(F)F)CC1 ZINC000452031414 564384720 /nfs/dbraw/zinc/38/47/20/564384720.db2.gz LGUWKJSYHKECAS-UHFFFAOYSA-N 1 0 383.867 2.976 20 0 GFADRO CS[C@H]1CN(C(=O)Cc2nc(-c3ccc(F)cc3)cs2)C[C@@H]1[NH+](C)C ZINC000477712467 564384671 /nfs/dbraw/zinc/38/46/71/564384671.db2.gz MQUWCTKBLBODAR-HOTGVXAUSA-N 1 0 379.526 2.996 20 0 GFADRO COc1ccc(CNC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c(Br)c1 ZINC000511996077 564388660 /nfs/dbraw/zinc/38/86/60/564388660.db2.gz FPLHHHBULCHKEQ-QZTJIDSGSA-N 1 0 383.330 2.925 20 0 GFADRO O=C1COc2ccc(C[NH2+]Cc3cc4c(c(Br)c3)OCO4)cc2N1 ZINC000512058810 564390206 /nfs/dbraw/zinc/39/02/06/564390206.db2.gz PMOOTJAHTLPTAM-UHFFFAOYSA-N 1 0 391.221 2.799 20 0 GFADRO Cc1cc(Br)ccc1SCC(=O)NCCNc1cc[nH+]cc1 ZINC000512040583 564390818 /nfs/dbraw/zinc/39/08/18/564390818.db2.gz MKKMSEULBUYKJG-UHFFFAOYSA-N 1 0 380.311 2.895 20 0 GFADRO COC(=O)c1cc(Cl)c(C)c(S(=O)(=O)N(C)[C@H]2CC[N@@H+](C(C)C)C2)c1 ZINC000452101041 564391509 /nfs/dbraw/zinc/39/15/09/564391509.db2.gz FYHYFTOYUSVDMG-AWEZNQCLSA-N 1 0 388.917 2.538 20 0 GFADRO CCOc1c(Br)cc(C(=O)N[C@@H]2C[NH2+]CCC2(F)F)cc1OC ZINC000567845769 564391939 /nfs/dbraw/zinc/39/19/39/564391939.db2.gz GKQASVLUWUHGQN-GFCCVEGCSA-N 1 0 393.228 2.583 20 0 GFADRO CC(C)[N@@H+]1CC[C@H](N(C)S(=O)(=O)Cc2ccccc2Br)C1 ZINC000452105023 564392390 /nfs/dbraw/zinc/39/23/90/564392390.db2.gz NFNAMDBVTUKEEA-AWEZNQCLSA-N 1 0 375.332 2.693 20 0 GFADRO CC(C)[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2cc(F)ccc2Br)C1 ZINC000452103930 564392435 /nfs/dbraw/zinc/39/24/35/564392435.db2.gz LDDKGANPRCLQBC-LBPRGKRZSA-N 1 0 379.295 2.691 20 0 GFADRO O=S(=O)(NCCC[C@@H]1CCC[NH2+]1)c1cccc(Br)c1Cl ZINC000567862084 564392960 /nfs/dbraw/zinc/39/29/60/564392960.db2.gz KPXYSNZKBOKJOM-JTQLQIEISA-N 1 0 381.723 2.913 20 0 GFADRO CNC(=O)[C@@H](C)C[N@H+](C)[C@@H](C)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000478051185 564394397 /nfs/dbraw/zinc/39/43/97/564394397.db2.gz AHXHNBRTBNPMBV-UWVGGRQHSA-N 1 0 379.810 3.000 20 0 GFADRO C[NH+](C)CCOc1cc(NC(=O)COc2cccc(Br)c2)ccn1 ZINC000478084429 564394824 /nfs/dbraw/zinc/39/48/24/564394824.db2.gz MWTYRGHSOXLYQT-UHFFFAOYSA-N 1 0 394.269 2.802 20 0 GFADRO C[C@H](CNS(=O)(=O)c1ccc(Br)o1)[N@H+](C)Cc1ccccc1 ZINC000544714805 564395586 /nfs/dbraw/zinc/39/55/86/564395586.db2.gz OMQHXGISFOEEPF-GFCCVEGCSA-N 1 0 387.299 2.841 20 0 GFADRO C[C@H]([NH3+])C[C@H](C)NC(=O)CCCOc1ccc(I)cc1 ZINC000567925934 564396867 /nfs/dbraw/zinc/39/68/67/564396867.db2.gz YEJJJUZNHGIZCG-RYUDHWBXSA-N 1 0 390.265 2.692 20 0 GFADRO C[C@H]1CN(C(=O)[C@@H]2Cc3cc(Br)ccc3O2)CC[N@@H+](C2CC2)C1 ZINC000452167158 564396906 /nfs/dbraw/zinc/39/69/06/564396906.db2.gz BJVIJRJYNYBWNK-PXAZEXFGSA-N 1 0 379.298 2.695 20 0 GFADRO COC[C@@H](C[NH2+][C@@H]1CCCOc2ccc(I)cc21)OC ZINC000512286414 564397004 /nfs/dbraw/zinc/39/70/04/564397004.db2.gz CCJPNZFMPOMWOO-TZMCWYRMSA-N 1 0 391.249 2.756 20 0 GFADRO Cc1noc(C)c1S(=O)(=O)N1CCCN(c2cc[nH+]c(C)c2Cl)CC1 ZINC000478326720 564399045 /nfs/dbraw/zinc/39/90/45/564399045.db2.gz KRTPXFZXWZYNKU-UHFFFAOYSA-N 1 0 384.889 2.549 20 0 GFADRO C[C@@H](C[NH+](C)C)NC(=O)N1CCO[C@H](c2ccc(Br)cc2)[C@H]1C ZINC000512426248 564401741 /nfs/dbraw/zinc/40/17/41/564401741.db2.gz IHWQBUSBKULYFI-ZENOOKHLSA-N 1 0 384.318 2.871 20 0 GFADRO C[N@@H+]1CCC[C@H](CCNC(=O)[C@@H]2CC(=O)Nc3ccc(Br)cc32)C1 ZINC000568041938 564402173 /nfs/dbraw/zinc/40/21/73/564402173.db2.gz TVRRLKMJWNBMCH-IUODEOHRSA-N 1 0 394.313 2.723 20 0 GFADRO CN1CC[NH2+]C[C@H]1CNC(=O)N[C@H](c1ccsc1)c1ccc(Cl)cc1 ZINC000568057947 564402926 /nfs/dbraw/zinc/40/29/26/564402926.db2.gz GLRPCKKTSBLXTB-IRXDYDNUSA-N 1 0 378.929 2.694 20 0 GFADRO CS[C@@H]1CN(C(=O)COc2ccc(Cl)c3cccnc23)C[C@H]1[NH+](C)C ZINC000478490221 564404827 /nfs/dbraw/zinc/40/48/27/564404827.db2.gz XIYNGENSORFSCM-GDBMZVCRSA-N 1 0 379.913 2.771 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1c(C)cc(Br)cc1C ZINC000512553309 564405031 /nfs/dbraw/zinc/40/50/31/564405031.db2.gz BLZCWMSHHAWTLM-CQSZACIVSA-N 1 0 375.332 2.829 20 0 GFADRO Cc1ccc(CC(=O)N(C)CCC[N@@H+](C)CCN(C)C)cc1Br ZINC000568136245 564406109 /nfs/dbraw/zinc/40/61/09/564406109.db2.gz MITIQZONBAPOKP-UHFFFAOYSA-N 1 0 384.362 2.642 20 0 GFADRO O=C(NC[C@H]1CCC[N@H+]1CCCO)c1cc(Cl)cc(F)c1Br ZINC000452348803 564407124 /nfs/dbraw/zinc/40/71/24/564407124.db2.gz AWDKBEVMJUEBMS-LLVKDONJSA-N 1 0 393.684 2.818 20 0 GFADRO O=C(NC[C@@H]1CCC[N@H+]1CCCO)C1(c2cc(F)cc(Br)c2)CC1 ZINC000452358006 564407547 /nfs/dbraw/zinc/40/75/47/564407547.db2.gz FNPGEAIKTUETLW-INIZCTEOSA-N 1 0 399.304 2.583 20 0 GFADRO CN(C(=O)c1cc(Br)cnc1OCC1CC1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000512676593 564408453 /nfs/dbraw/zinc/40/84/53/564408453.db2.gz CBLCPLXTFJRZRS-HNNXBMFYSA-N 1 0 394.313 2.942 20 0 GFADRO C[C@@H](C(=O)NC[C@H]1CCC[N@@H+]1CCCO)c1ccc(Br)s1 ZINC000452362828 564409378 /nfs/dbraw/zinc/40/93/78/564409378.db2.gz LLDICGWXUYUIKN-VXGBXAGGSA-N 1 0 375.332 2.577 20 0 GFADRO Cc1oc(-c2ccc(Cl)c(Cl)c2)nc1C(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000545156920 564409621 /nfs/dbraw/zinc/40/96/21/564409621.db2.gz NCNVMGRUUDTKFC-QGZVFWFLSA-N 1 0 384.263 2.753 20 0 GFADRO C[C@H](Oc1cccc(Cl)c1Cl)C(=O)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000452376741 564410052 /nfs/dbraw/zinc/41/00/52/564410052.db2.gz PGOYRQURLYVCPU-QWHCGFSZSA-N 1 0 375.296 2.724 20 0 GFADRO CC1=CC[N@H+](CCNC(=O)Cc2cccc(I)c2)CC1 ZINC000545161479 564410219 /nfs/dbraw/zinc/41/02/19/564410219.db2.gz SOILNJFIQZUULV-UHFFFAOYSA-N 1 0 384.261 2.602 20 0 GFADRO O=C(NCc1cc(Br)cc2c1OCC2)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000545193925 564412237 /nfs/dbraw/zinc/41/22/37/564412237.db2.gz YTZQWISJTOIRLQ-LBPRGKRZSA-N 1 0 394.313 2.668 20 0 GFADRO O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000568268739 564412321 /nfs/dbraw/zinc/41/23/21/564412321.db2.gz HZOJSKCMGJDNRN-OLZOCXBDSA-N 1 0 378.416 2.595 20 0 GFADRO O=C(NC[C@H]1CCCC[N@H+]1CCO)c1cc2c(cc(Br)cc2F)[nH]1 ZINC000452389199 564412519 /nfs/dbraw/zinc/41/25/19/564412519.db2.gz LMYJSIGBRCZVMW-GFCCVEGCSA-N 1 0 398.276 2.646 20 0 GFADRO CC[NH+](CC)CCS(=O)(=O)N[C@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 ZINC000568331673 564413613 /nfs/dbraw/zinc/41/36/13/564413613.db2.gz LPQBNGGOVDFPHS-HOTGVXAUSA-N 1 0 378.897 2.570 20 0 GFADRO Cc1ccc(OC(F)F)c(C[NH2+]C[C@@H]2CCCC[C@H]2NS(C)(=O)=O)c1 ZINC000512850556 564414021 /nfs/dbraw/zinc/41/40/21/564414021.db2.gz JRAPKTFQQKFQSZ-DZGCQCFKSA-N 1 0 376.469 2.794 20 0 GFADRO COc1cc(C[NH2+]C[C@H]2CCCC[C@H]2NS(C)(=O)=O)cc(Cl)c1OC ZINC000512862613 564414879 /nfs/dbraw/zinc/41/48/79/564414879.db2.gz VQPJXCGPBVJSOW-UKRRQHHQSA-N 1 0 390.933 2.555 20 0 GFADRO CO[C@@H]1CCC[C@H]1[NH2+]C[C@H](O)COc1ccc(Cl)cc1Br ZINC000568357388 564415604 /nfs/dbraw/zinc/41/56/04/564415604.db2.gz REHJICIQDRYJFQ-NJZAAPMLSA-N 1 0 378.694 2.999 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CNC(=O)[C@]12CCC(=O)N1c1cc(Cl)ccc1S2 ZINC000512966548 564416816 /nfs/dbraw/zinc/41/68/16/564416816.db2.gz ISESOTKJOMKXJB-SCLBCKFNSA-N 1 0 379.913 2.869 20 0 GFADRO NC(=O)[C@@H]([NH2+]CC[C@@H]1COc2ccccc2O1)c1cccc(Br)c1 ZINC000478881274 564417215 /nfs/dbraw/zinc/41/72/15/564417215.db2.gz CTEOTEYLMXCEGS-PBHICJAKSA-N 1 0 391.265 2.795 20 0 GFADRO CS(=O)(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccc(OCC(F)(F)F)cc1 ZINC000513006879 564417969 /nfs/dbraw/zinc/41/79/69/564417969.db2.gz FOJJGBVGPURMRA-CQSZACIVSA-N 1 0 380.432 2.531 20 0 GFADRO CCC1CC([NH2+]CCCNS(=O)(=O)c2ccccc2Br)C1 ZINC000568423784 564418542 /nfs/dbraw/zinc/41/85/42/564418542.db2.gz XGIXDGYHGYDSRJ-UHFFFAOYSA-N 1 0 375.332 2.896 20 0 GFADRO C[C@@H]1CN(C(=O)C2(c3ccc(I)cc3)CC2)C[C@H](C)N1C ZINC000513062720 564419018 /nfs/dbraw/zinc/41/90/18/564419018.db2.gz FCUYOWMDPCKWST-BETUJISGSA-N 1 0 398.288 2.874 20 0 GFADRO C[C@@H]1CN(C(=O)c2cc(Br)cnc2OCC2CC2)C[C@H](C)N1C ZINC000513112905 564420903 /nfs/dbraw/zinc/42/09/03/564420903.db2.gz GXPSGURSEBPSNK-TXEJJXNPSA-N 1 0 382.302 2.798 20 0 GFADRO CCCN(CCC[NH+](C)C)C(=O)C(=O)NCCc1c(Cl)cccc1Cl ZINC000479011224 564421476 /nfs/dbraw/zinc/42/14/76/564421476.db2.gz MPIKYJVKYSBCNJ-UHFFFAOYSA-N 1 0 388.339 2.842 20 0 GFADRO COC(=O)C[C@](C)([NH2+]CCN1CCO[C@@H](C)C1)c1ccc(Br)cc1 ZINC000513139453 564422039 /nfs/dbraw/zinc/42/20/39/564422039.db2.gz RJEBUKWTBPOZFW-KSSFIOAISA-N 1 0 399.329 2.538 20 0 GFADRO Cn1cc2c(n1)CCC[C@H]2[NH2+]CCCNC(=O)c1ccc(Br)cc1 ZINC000479049682 564423510 /nfs/dbraw/zinc/42/35/10/564423510.db2.gz BHVMUWXRLIEJRF-MRXNPFEDSA-N 1 0 391.313 2.970 20 0 GFADRO COc1cc(Br)cc(NC(=O)N2C[C@H](SC)[C@@H]([NH+](C)C)C2)c1 ZINC000545440426 564423739 /nfs/dbraw/zinc/42/37/39/564423739.db2.gz AXBKWRMZZWOKTN-KBPBESRZSA-N 1 0 388.331 2.967 20 0 GFADRO CNC(=O)CC[C@@H]1CCCC[N@@H+]1C[C@H](O)COc1ccc(Br)cc1 ZINC000513211334 564424520 /nfs/dbraw/zinc/42/45/20/564424520.db2.gz WLYRUTVNDFGQNT-HOTGVXAUSA-N 1 0 399.329 2.570 20 0 GFADRO C[C@H](CC[NH+](C)C)NC(=O)[C@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000479092679 564425148 /nfs/dbraw/zinc/42/51/48/564425148.db2.gz FNPNEVISYGTUNN-ZUCKAHLUSA-N 1 0 386.323 2.969 20 0 GFADRO CC(C)[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000513311284 564426935 /nfs/dbraw/zinc/42/69/35/564426935.db2.gz UHWSCNXTQNYMJJ-MLGOLLRUSA-N 1 0 383.945 2.756 20 0 GFADRO CCO[C@@H]1C[C@H]([NH2+]Cc2cc(O)c(OC)cc2Br)[C@]12CCCO2 ZINC000545550197 564427275 /nfs/dbraw/zinc/42/72/75/564427275.db2.gz VCFDCGRHUNMMQI-GVDBMIGSSA-N 1 0 386.286 2.980 20 0 GFADRO COc1cc(OC)c(S(=O)(=O)N(CCC[NH3+])CC2CCCC2)cc1Cl ZINC000568631925 564427734 /nfs/dbraw/zinc/42/77/34/564427734.db2.gz DOBRSYVIFUHYMI-UHFFFAOYSA-N 1 0 390.933 2.887 20 0 GFADRO CC[NH+](CC)CCCNC(=O)[C@H]1CSCN1C(=O)c1ccc(Cl)cc1 ZINC000513393584 564428637 /nfs/dbraw/zinc/42/86/37/564428637.db2.gz CSVWITOVJTYDQQ-MRXNPFEDSA-N 1 0 383.945 2.703 20 0 GFADRO O=S(=O)(CC[NH2+]C1CCN(CCC(F)(F)F)CC1)c1ccc(F)cc1 ZINC000513475417 564430052 /nfs/dbraw/zinc/43/00/52/564430052.db2.gz KFTGUMFXAVOPOM-UHFFFAOYSA-N 1 0 382.423 2.606 20 0 GFADRO O=C(CCOc1ccc(Cl)cc1Cl)NC[C@H]1CCC[N@H+]1CCCO ZINC000452780080 564431680 /nfs/dbraw/zinc/43/16/80/564431680.db2.gz HEGIMWDITZNOON-CQSZACIVSA-N 1 0 375.296 2.725 20 0 GFADRO Cn1ccc([C@@H](NC(=O)C[N@H+](C)[C@H]2CCSC2)c2ccc(Cl)cc2)n1 ZINC000545850099 564433203 /nfs/dbraw/zinc/43/32/03/564433203.db2.gz IGRGWMPVQWCLIM-YJBOKZPZSA-N 1 0 378.929 2.716 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S(=O)(=O)CC[NH2+]C[C@@H](C)C(C)C ZINC000568750834 564433635 /nfs/dbraw/zinc/43/36/35/564433635.db2.gz LOKKFKRKSOWKAT-OAHLLOKOSA-N 1 0 375.556 2.526 20 0 GFADRO C[C@H]([NH2+]C[C@@]1(O)CCO[C@@H]1C)c1ccc(F)c(I)c1 ZINC000453223274 564449840 /nfs/dbraw/zinc/44/98/40/564449840.db2.gz QUMOODHLBYGBMG-RBZYPMLTSA-N 1 0 379.213 2.621 20 0 GFADRO CCOC(=O)c1cc2cc(S(=O)(=O)NCC[N@H+](C)C(C)C)ccc2s1 ZINC000479311648 564435274 /nfs/dbraw/zinc/43/52/74/564435274.db2.gz FKGFZCNXQRQNIR-UHFFFAOYSA-N 1 0 384.523 2.697 20 0 GFADRO COc1cc(CO)cc(I)c1OCCC1CC[NH2+]CC1 ZINC000568857032 564437956 /nfs/dbraw/zinc/43/79/56/564437956.db2.gz NDUNCGWUVGZPNL-UHFFFAOYSA-N 1 0 391.249 2.561 20 0 GFADRO [NH3+]C[C@H]1CCCC[C@@]12NC(=O)N(CCOc1cc(Cl)cc(Cl)c1)C2=O ZINC000568863200 564438228 /nfs/dbraw/zinc/43/82/28/564438228.db2.gz KEPQIWZIYKKVBH-PIGZYNQJSA-N 1 0 386.279 2.812 20 0 GFADRO C[C@@H](CCC[NH3+])NC(=O)c1cnn(-c2ncccc2Cl)c1C(F)(F)F ZINC000568882473 564438815 /nfs/dbraw/zinc/43/88/15/564438815.db2.gz YCPVUNLVILKQDN-VIFPVBQESA-N 1 0 375.782 2.797 20 0 GFADRO C[C@H]1CCc2ccc(Br)cc2[C@H]([NH2+]CC(=O)N2CCOCC2)C1 ZINC000479410022 564438976 /nfs/dbraw/zinc/43/89/76/564438976.db2.gz GEPUMXTUAYBCNK-SUMWQHHRSA-N 1 0 381.314 2.911 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S(=O)(=O)CC[NH2+][C@H](C)CC(C)C ZINC000568975797 564443270 /nfs/dbraw/zinc/44/32/70/564443270.db2.gz MFCBRIQQFVERDG-OAHLLOKOSA-N 1 0 375.556 2.668 20 0 GFADRO C[C@H]([NH2+]C[C@@H](O)COCC1CC1)c1ccc(F)c(I)c1 ZINC000453092900 564447024 /nfs/dbraw/zinc/44/70/24/564447024.db2.gz SOEKFFGADIDSGM-GXFFZTMASA-N 1 0 393.240 2.868 20 0 GFADRO C[C@H]([NH2+]C[C@@]1(O)CCSC1)c1ccc(F)c(I)c1 ZINC000453144424 564447530 /nfs/dbraw/zinc/44/75/30/564447530.db2.gz VWANYHRRQOSUBA-ZANVPECISA-N 1 0 381.254 2.949 20 0 GFADRO COc1cc(Br)ccc1C[NH2+]CCN1C(=O)c2ccccc2C1=O ZINC000514225807 564447701 /nfs/dbraw/zinc/44/77/01/564447701.db2.gz DYKSLQAVODAWLL-UHFFFAOYSA-N 1 0 389.249 2.844 20 0 GFADRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N1CCc2cc(Br)ccc2C1 ZINC000479685079 564447861 /nfs/dbraw/zinc/44/78/61/564447861.db2.gz LBXHDQFUTWSTQX-PXAZEXFGSA-N 1 0 378.314 3.000 20 0 GFADRO C[C@H](CCS(C)(=O)=O)[NH2+][C@H](C)c1ccc(F)c(I)c1 ZINC000453156567 564449259 /nfs/dbraw/zinc/44/92/59/564449259.db2.gz ZQHYKRSSWFAMIN-NXEZZACHSA-N 1 0 399.269 2.904 20 0 GFADRO COC1([C@H](C)[NH2+]C[C@H](CO)Cc2ccccc2Br)CCOCC1 ZINC000453200229 564449525 /nfs/dbraw/zinc/44/95/25/564449525.db2.gz AGZVQLYNBWPARA-LSDHHAIUSA-N 1 0 386.330 2.774 20 0 GFADRO COC(=O)c1cn(CC[NH2+][C@H]2CCCCc3ccc(Br)cc32)nn1 ZINC000453213662 564450152 /nfs/dbraw/zinc/45/01/52/564450152.db2.gz QHHRNPRFVIECNI-HNNXBMFYSA-N 1 0 393.285 2.885 20 0 GFADRO CC[C@@H](Cn1cncn1)[NH2+]C[C@@H](CO)Cc1cccc(Br)c1C ZINC000453352208 564453688 /nfs/dbraw/zinc/45/36/88/564453688.db2.gz HHLATQQKIGHHGI-HOCLYGCPSA-N 1 0 381.318 2.568 20 0 GFADRO CNC(=O)C[C@@H](C)[NH2+][C@H](C)c1nnn(-c2cccc(Br)c2)c1C ZINC000453378296 564455760 /nfs/dbraw/zinc/45/57/60/564455760.db2.gz QGBPRAKGLIRBOQ-GHMZBOCLSA-N 1 0 380.290 2.513 20 0 GFADRO Cn1cc(I)c(C[NH2+][C@@H]2CCC[C@H](c3ccnn3C)C2)n1 ZINC000453388008 564455960 /nfs/dbraw/zinc/45/59/60/564455960.db2.gz WKVACCUUIZKTEH-NWDGAFQWSA-N 1 0 399.280 2.574 20 0 GFADRO C[C@@H](Cc1ccc(F)cc1Br)[NH2+]CCS(=O)(=O)NC(C)(C)C ZINC000514752079 564456053 /nfs/dbraw/zinc/45/60/53/564456053.db2.gz KBTMZCZHQJXZOO-NSHDSACASA-N 1 0 395.338 2.827 20 0 GFADRO CC[C@@H](C)[NH+]1CCN(c2nnc(-c3cc(Br)cn3C)n2CC)CC1 ZINC000453460024 564456907 /nfs/dbraw/zinc/45/69/07/564456907.db2.gz DWFHBLSANODQOT-CYBMUJFWSA-N 1 0 395.349 2.987 20 0 GFADRO Cc1cnc(CC[NH2+][C@@H](C)c2cc(S(N)(=O)=O)c(Cl)cc2Cl)cn1 ZINC000453404815 564457589 /nfs/dbraw/zinc/45/75/89/564457589.db2.gz PZVNISCPNFGRKR-JTQLQIEISA-N 1 0 389.308 2.633 20 0 GFADRO Cn1c2ccc(Cl)cc2nc1C[NH2+]C[C@H]1CS(=O)(=O)c2ccccc21 ZINC000514776525 564457677 /nfs/dbraw/zinc/45/76/77/564457677.db2.gz SDRCEEWPEBEISG-LBPRGKRZSA-N 1 0 375.881 2.887 20 0 GFADRO Cc1cc(Br)c(C[NH2+][C@H]2CCCC[C@@H]2NS(C)(=O)=O)s1 ZINC000453571441 564458187 /nfs/dbraw/zinc/45/81/87/564458187.db2.gz MHDADKIYZYDNIN-RYUDHWBXSA-N 1 0 381.361 2.769 20 0 GFADRO Cc1cc(Br)c(C[N@H+]2C[C@@H](C)[C@H](C(=O)N3CCOCC3)C2)s1 ZINC000453592365 564459094 /nfs/dbraw/zinc/45/90/94/564459094.db2.gz HVHKHZVOHQODNW-DGCLKSJQSA-N 1 0 387.343 2.746 20 0 GFADRO COCC1(CNc2ccc(-c3ccc(Br)s3)nn2)CC[NH2+]CC1 ZINC000569324557 564459133 /nfs/dbraw/zinc/45/91/33/564459133.db2.gz MEQCTEWGMWMOOW-UHFFFAOYSA-N 1 0 397.342 3.396 20 0 GFADRO O=C1[C@@H]([NH2+]CC2=Cc3cc(Br)ccc3OC2)C[C@H]2CCCCN12 ZINC000453616514 564460375 /nfs/dbraw/zinc/46/03/75/564460375.db2.gz GFPCXUJOUHSBNX-CVEARBPZSA-N 1 0 377.282 2.968 20 0 GFADRO C[C@@H]1[C@H](C)N(c2ncnc3cccc(I)c32)CC[N@H+]1C ZINC000546582965 564460602 /nfs/dbraw/zinc/46/06/02/564460602.db2.gz HVCOKKKXOKYBOG-MNOVXSKESA-N 1 0 382.249 2.763 20 0 GFADRO CC(C)[C@@H](CCO)[NH2+][C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000480168345 564462440 /nfs/dbraw/zinc/46/24/40/564462440.db2.gz KOEHDTXLXANBKD-ZIAGYGMSSA-N 1 0 376.316 2.664 20 0 GFADRO C[N@H+](CC[C@@H]1CCNC1=O)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000569429694 564463158 /nfs/dbraw/zinc/46/31/58/564463158.db2.gz DXHZABSCOUQUEW-JTQLQIEISA-N 1 0 377.794 2.755 20 0 GFADRO CC[C@H](C)N(C)CC[NH2+][C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000480230599 564464852 /nfs/dbraw/zinc/46/48/52/564464852.db2.gz WKLXPINNGYLNCT-WFASDCNBSA-N 1 0 389.359 2.988 20 0 GFADRO CSC1(C[NH2+]C[C@H](O)COc2cccc(C(F)(F)F)c2)CCOCC1 ZINC000569475590 564465018 /nfs/dbraw/zinc/46/50/18/564465018.db2.gz JVVJFSNTYPXESB-AWEZNQCLSA-N 1 0 379.444 2.947 20 0 GFADRO CC(C)[N@H+](C)CCCN[C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000480232696 564465114 /nfs/dbraw/zinc/46/51/14/564465114.db2.gz PBUCWLDJNJDBNC-HNNXBMFYSA-N 1 0 389.359 2.988 20 0 GFADRO C[C@@H]([NH2+]C[C@H](c1ccsc1)N(C)C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000480247782 564466122 /nfs/dbraw/zinc/46/61/22/564466122.db2.gz NBDUELVPVUTYKD-RDTXWAMCSA-N 1 0 381.567 2.952 20 0 GFADRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NS(=O)(=O)c1ccc(Br)o1 ZINC000546770059 564467737 /nfs/dbraw/zinc/46/77/37/564467737.db2.gz NURFCCITSWFQND-IJLUTSLNSA-N 1 0 379.320 2.687 20 0 GFADRO O=C(NC[C@@H]1C[NH2+]CCO1)N(Cc1ccccc1Br)C1CCCC1 ZINC000569559079 564468733 /nfs/dbraw/zinc/46/87/33/564468733.db2.gz JURLKDCTAWMZBO-INIZCTEOSA-N 1 0 396.329 2.892 20 0 GFADRO Cn1ncc(Br)c1C(=O)N(CC[NH+]1CCCC1)c1ccccc1 ZINC000515290736 564474141 /nfs/dbraw/zinc/47/41/41/564474141.db2.gz FAJULPDVPLUMDL-UHFFFAOYSA-N 1 0 377.286 2.925 20 0 GFADRO Cn1cc([C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3ccc(Cl)cc3Cl)C[C@H]2[NH3+])cn1 ZINC000515346473 564476128 /nfs/dbraw/zinc/47/61/28/564476128.db2.gz CHOQCLRHYXBUNP-QSJFSLAZSA-N 1 0 379.291 2.784 20 0 GFADRO O[C@@H](C[NH2+]CCc1ccc(I)s1)CC(F)(F)F ZINC000515414684 564478447 /nfs/dbraw/zinc/47/84/47/564478447.db2.gz MAWOSRISXNXEQE-SSDOTTSWSA-N 1 0 379.185 2.798 20 0 GFADRO O=S(=O)(c1cc(Cl)ccc1OC(F)F)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000569810670 564479354 /nfs/dbraw/zinc/47/93/54/564479354.db2.gz OGUYEKILHZTJQM-VXGBXAGGSA-N 1 0 394.871 2.952 20 0 GFADRO O=C(c1ncc(Br)cc1Br)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000515483380 564480403 /nfs/dbraw/zinc/48/04/03/564480403.db2.gz BMJANBLCJGSBTR-JTQLQIEISA-N 1 0 389.091 2.573 20 0 GFADRO Cc1cc(F)c(Br)cc1S(=O)(=O)N1CC[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000480694187 564482265 /nfs/dbraw/zinc/48/22/65/564482265.db2.gz FLNCTUGEHFHVHL-RISCZKNCSA-N 1 0 391.306 2.611 20 0 GFADRO CCc1ncc(S(=O)(=O)N(C)C2CC[NH+](Cc3ccccc3)CC2)s1 ZINC000547304690 564483423 /nfs/dbraw/zinc/48/34/23/564483423.db2.gz IZTSTZDHOLOQAA-UHFFFAOYSA-N 1 0 379.551 2.991 20 0 GFADRO CC[N@H+](CCO)CCNC(=O)Nc1cc(Cl)cc(Br)c1OC ZINC000547397376 564487074 /nfs/dbraw/zinc/48/70/74/564487074.db2.gz RTTHLNALNGKXSK-UHFFFAOYSA-N 1 0 394.697 2.547 20 0 GFADRO O=C(Nc1nc(-c2ccc(F)c(Cl)c2)cs1)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000480834590 564489943 /nfs/dbraw/zinc/48/99/43/564489943.db2.gz REYIOGAOKRUZEN-HNNXBMFYSA-N 1 0 380.876 2.931 20 0 GFADRO Cc1c(Br)cccc1S(=O)(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000480825641 564490103 /nfs/dbraw/zinc/49/01/03/564490103.db2.gz GEPVUTVITGXJEF-UKRRQHHQSA-N 1 0 387.343 2.862 20 0 GFADRO C[C@@H](NC(=O)C[N@@H+]1CC[C@H](c2nccn2C)C1)c1ccc(Br)cc1 ZINC000516083077 564493018 /nfs/dbraw/zinc/49/30/18/564493018.db2.gz LKFUGCXTQBNFQX-HIFRSBDPSA-N 1 0 391.313 2.849 20 0 GFADRO COCCOc1ccc(Br)cc1NC(=O)NCC1=CC[N@H+](C)CC1 ZINC000480895299 564493836 /nfs/dbraw/zinc/49/38/36/564493836.db2.gz TXQSPWHAWLTWBW-UHFFFAOYSA-N 1 0 398.301 2.858 20 0 GFADRO C[C@@H](NS(=O)(=O)c1cncc(Br)c1)[C@@H](c1ccccc1)[NH+](C)C ZINC000480896827 564494623 /nfs/dbraw/zinc/49/46/23/564494623.db2.gz JGXNDBCJCOJJIC-WBMJQRKESA-N 1 0 398.326 2.814 20 0 GFADRO Cc1cc(C[C@@H](C)[NH2+]C[C@@H](O)COc2cc(F)cc(Br)c2)[nH]n1 ZINC000516277064 564498888 /nfs/dbraw/zinc/49/88/88/564498888.db2.gz UCXSBJCULSRWNS-MEBBXXQBSA-N 1 0 386.265 2.580 20 0 GFADRO CC[C@H](C[C@@H](C)CO)[NH2+]C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000570279678 564499268 /nfs/dbraw/zinc/49/92/68/564499268.db2.gz KOXZZRPNHPMERG-DFBGVHRSSA-N 1 0 378.282 2.715 20 0 GFADRO CC1(C)C[NH2+]CC[C@H]1NC(=O)Nc1ccc(I)cc1F ZINC000570292276 564499850 /nfs/dbraw/zinc/49/98/50/564499850.db2.gz IOVGAMBODZOCGY-GFCCVEGCSA-N 1 0 391.228 2.940 20 0 GFADRO COc1ccc(Br)cc1S(=O)(=O)Nc1cc[nH+]c(N(C)C)c1 ZINC000481052932 564501712 /nfs/dbraw/zinc/50/17/12/564501712.db2.gz DRJGFVSCHZSJJY-UHFFFAOYSA-N 1 0 386.271 2.720 20 0 GFADRO CCN(CCC[NH2+]C/C(C)=C/c1ccccc1OC(F)F)S(C)(=O)=O ZINC000570369280 564502382 /nfs/dbraw/zinc/50/23/82/564502382.db2.gz MKSSZCQSCZJGFH-WYMLVPIESA-N 1 0 376.469 2.953 20 0 GFADRO Cc1cc(F)c(Br)cc1S(=O)(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000481064206 564502625 /nfs/dbraw/zinc/50/26/25/564502625.db2.gz ZFQYPHXILOMBIG-LLVKDONJSA-N 1 0 393.322 2.907 20 0 GFADRO COC(=O)c1c(Br)ccc(NC(=O)N2CCN(C3CC3)CC2)c1C ZINC000516525647 564504093 /nfs/dbraw/zinc/50/40/93/564504093.db2.gz VWHVFAMTHCWJIZ-UHFFFAOYSA-N 1 0 396.285 2.856 20 0 GFADRO CC[C@H](CNS(C)(=O)=O)[NH2+]Cc1cc2cc(Br)ccc2o1 ZINC000516664391 564508824 /nfs/dbraw/zinc/50/88/24/564508824.db2.gz NGAVOECQDQIOIV-GFCCVEGCSA-N 1 0 375.288 2.613 20 0 GFADRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)CCc1ncc(-c2ccccc2Br)o1 ZINC000570514673 564510157 /nfs/dbraw/zinc/51/01/57/564510157.db2.gz SHIRHJMLIXUGIT-FZMZJTMJSA-N 1 0 378.270 2.985 20 0 GFADRO [NH3+]CC[C@H]1CCCN(C(=O)Nc2ccnn2-c2ccc(Br)cn2)C1 ZINC000570543599 564512117 /nfs/dbraw/zinc/51/21/17/564512117.db2.gz VYOOYYKSZSUCQI-GFCCVEGCSA-N 1 0 393.289 2.623 20 0 GFADRO COCCC[N@H+](C)CCNC(=O)N1CC[C@@H](c2cccc(Br)c2)C1 ZINC000454547613 564513392 /nfs/dbraw/zinc/51/33/92/564513392.db2.gz IKDUTTMROBKYIE-MRXNPFEDSA-N 1 0 398.345 2.916 20 0 GFADRO COC[C@@H](CNC(=O)NC[C@]1([NH+](C)C)CCSC1)c1ccc(Cl)cc1 ZINC000454596221 564516320 /nfs/dbraw/zinc/51/63/20/564516320.db2.gz FFOWWBHXFCSUKH-CRAIPNDOSA-N 1 0 385.961 2.807 20 0 GFADRO C[NH+](C)[C@]1(CNC(=O)N2CCO[C@H](c3ccc(Cl)cc3)C2)CCSC1 ZINC000454605521 564516385 /nfs/dbraw/zinc/51/63/85/564516385.db2.gz MZONSQOWUSONDC-WMZOPIPTSA-N 1 0 383.945 2.860 20 0 GFADRO [NH3+][C@H]1CCCC[C@@H]1CC(=O)NCc1cc(Br)c2c(c1)OCCO2 ZINC000516924251 564517192 /nfs/dbraw/zinc/51/71/92/564517192.db2.gz IOMCJADMXRKKAR-OCCSQVGLSA-N 1 0 383.286 2.744 20 0 GFADRO OC[C@@H](C[NH2+]C[C@@H](O)COc1ccccc1)Cc1cccc(Br)c1 ZINC000516927697 564517200 /nfs/dbraw/zinc/51/72/00/564517200.db2.gz WAHAICNMRSJVBP-SJLPKXTDSA-N 1 0 394.309 2.630 20 0 GFADRO OCCC1(C[NH2+]C[C@@H](O)COc2ccc(Cl)cc2Br)CC1 ZINC000516970213 564519034 /nfs/dbraw/zinc/51/90/34/564519034.db2.gz CRMKKXLOGDMTHM-GFCCVEGCSA-N 1 0 378.694 2.594 20 0 GFADRO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)c1c(O)cnc2c(Br)cccc21 ZINC000570731203 564519204 /nfs/dbraw/zinc/51/92/04/564519204.db2.gz JBCMPURGSSRFMV-LLVKDONJSA-N 1 0 390.281 2.917 20 0 GFADRO C[C@H](Cc1ccccc1C(F)(F)F)[NH2+]C[C@H]1CCC[C@@H]1NS(C)(=O)=O ZINC000481674525 564519138 /nfs/dbraw/zinc/51/91/38/564519138.db2.gz UXJVAUGHVCHHQZ-XPKDYRNWSA-N 1 0 378.460 2.944 20 0 GFADRO [NH3+][C@@H]1C[C@@H]2CN(C(=O)c3sc4cc(Cl)ccc4c3Cl)CCN2C1=O ZINC000516981915 564519815 /nfs/dbraw/zinc/51/98/15/564519815.db2.gz PPONDTBJVJNTAH-MWLCHTKSSA-N 1 0 384.288 2.592 20 0 GFADRO O=C1CNC(=O)N1CCC[NH2+][C@@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000481733886 564521404 /nfs/dbraw/zinc/52/14/04/564521404.db2.gz IPWQSSMNNYCDPU-OAHLLOKOSA-N 1 0 384.249 2.571 20 0 GFADRO COc1cc(I)c(Cl)cc1C[NH2+][C@H]1CN(C)C[C@H]1C ZINC000481734373 564521478 /nfs/dbraw/zinc/52/14/78/564521478.db2.gz WFZPKCZBTQEQET-RNCFNFMXSA-N 1 0 394.684 2.993 20 0 GFADRO CO[C@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000454759112 564521627 /nfs/dbraw/zinc/52/16/27/564521627.db2.gz UNLAPLNMSPNSRK-UOJCXKCYSA-N 1 0 396.329 2.871 20 0 GFADRO O=S1(=O)CCCN1CC[NH2+][C@@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000481746997 564521904 /nfs/dbraw/zinc/52/19/04/564521904.db2.gz GWYNDVCHQTXUNC-OAHLLOKOSA-N 1 0 391.306 2.664 20 0 GFADRO C[C@@H](CNC(=O)NCc1cc(Br)ccc1Br)[NH+](C)C ZINC000454804186 564522280 /nfs/dbraw/zinc/52/22/80/564522280.db2.gz FFGMCHRCQYPCSC-VIFPVBQESA-N 1 0 393.123 2.961 20 0 GFADRO C[NH+](C)C[C@@H]1CN(Cc2cc(Br)cc(Br)c2)CCO1 ZINC000517110841 564524068 /nfs/dbraw/zinc/52/40/68/564524068.db2.gz JPTHNUSVPMVNJH-CQSZACIVSA-N 1 0 392.135 2.974 20 0 GFADRO C[NH+](C)[C@@]1(CNC(=O)N2CCN(c3cccc(Cl)c3)CC2)CCSC1 ZINC000481784098 564524343 /nfs/dbraw/zinc/52/43/43/564524343.db2.gz RPPQGNVEXVYJMW-GOSISDBHSA-N 1 0 382.961 2.609 20 0 GFADRO CC[C@@H](C)[N@H+](C)CCNC(=O)NCC(=O)Nc1ccc(Br)c(C)c1 ZINC000517078691 564524403 /nfs/dbraw/zinc/52/44/03/564524403.db2.gz BKBPCYRXJBTZMA-CYBMUJFWSA-N 1 0 399.333 2.726 20 0 GFADRO Brc1ccccc1-n1cc(CNCCC[NH+]2CCCCC2)nn1 ZINC000570889405 564526350 /nfs/dbraw/zinc/52/63/50/564526350.db2.gz OUYHGDRXOXMERH-UHFFFAOYSA-N 1 0 378.318 2.995 20 0 GFADRO C[C@@H](CNC(=O)c1ccc(I)cn1)C[NH+]1CCCCC1 ZINC000454893747 564526710 /nfs/dbraw/zinc/52/67/10/564526710.db2.gz RRQDDXUQBJRULU-LBPRGKRZSA-N 1 0 387.265 2.538 20 0 GFADRO CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CCN(c2ccc(Br)cn2)CC1 ZINC000548122804 564532359 /nfs/dbraw/zinc/53/23/59/564532359.db2.gz GQOOPGFZPWQWNO-ZDUSSCGKSA-N 1 0 383.334 2.659 20 0 GFADRO O=C(N[C@@H](c1cc(F)cc(Br)c1)C1CC1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000482039849 564532647 /nfs/dbraw/zinc/53/26/47/564532647.db2.gz IYZQTFSCFYETON-IAGOWNOFSA-N 1 0 396.304 2.545 20 0 GFADRO O=C1NC2(CCCC2)C(=O)N1CC[NH2+]Cc1cnc(-c2ccsc2)s1 ZINC000548156026 564533909 /nfs/dbraw/zinc/53/39/09/564533909.db2.gz QLNAHCFIWBBOLO-UHFFFAOYSA-N 1 0 376.507 2.826 20 0 GFADRO CCOC[C@H](C)CS(=O)(=O)NC[C@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000571093933 564535125 /nfs/dbraw/zinc/53/51/25/564535125.db2.gz HIJYGXRMGAREOW-GOEBONIOSA-N 1 0 376.950 2.577 20 0 GFADRO O=C(NC[C@H]1CCCC[N@H+]1CCO)Nc1ccc(Cl)cc1OC(F)F ZINC000455136914 564537877 /nfs/dbraw/zinc/53/78/77/564537877.db2.gz HXUWBXHXXKMDIR-GFCCVEGCSA-N 1 0 377.819 2.910 20 0 GFADRO COC[C@@H](Cc1ccccc1)NC(=O)[C@](C)([NH3+])c1ccc(Br)cc1 ZINC000571163763 564538829 /nfs/dbraw/zinc/53/88/29/564538829.db2.gz JJJHRCMHTNVHIJ-IEBWSBKVSA-N 1 0 391.309 2.997 20 0 GFADRO Cc1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1ccccc1I)CC2 ZINC000482233158 564539332 /nfs/dbraw/zinc/53/93/32/564539332.db2.gz DXTQIYVOYRKUBU-CMPLNLGQSA-N 1 0 382.249 2.857 20 0 GFADRO CC[N@@H+]1CCCC[C@H]1CNC(=O)c1cc(Br)c2c(c1)OCCO2 ZINC000517713822 564540369 /nfs/dbraw/zinc/54/03/69/564540369.db2.gz GVRSHILAJQKFTG-ZDUSSCGKSA-N 1 0 383.286 2.825 20 0 GFADRO CN(C)CC[N@H+](C)CCCN(C)C(=O)c1cc2ccc(Br)cc2[nH]1 ZINC000517790750 564542328 /nfs/dbraw/zinc/54/23/28/564542328.db2.gz ZNRNTCVQFSEKDA-UHFFFAOYSA-N 1 0 395.345 2.886 20 0 GFADRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNS(=O)(=O)c1ccc(Br)cc1 ZINC000518091547 564545877 /nfs/dbraw/zinc/54/58/77/564545877.db2.gz NNILKIFGIFDVNN-BETUJISGSA-N 1 0 375.332 2.990 20 0 GFADRO CN(CCCN1CC[NH+](C)CC1)C(=O)[C@@H]1C[C@@H]1c1ccc(Br)cc1 ZINC000518355691 564551399 /nfs/dbraw/zinc/55/13/99/564551399.db2.gz UNRXCADTUJBQAK-QZTJIDSGSA-N 1 0 394.357 2.649 20 0 GFADRO O=C(NCCNc1cc[nH+]cc1)c1cc(Br)ccc1Br ZINC000482905767 564552755 /nfs/dbraw/zinc/55/27/55/564552755.db2.gz PNBNREWYKIKSAM-UHFFFAOYSA-N 1 0 399.086 2.870 20 0 GFADRO COCCN(Cc1cc(Br)cs1)C(=O)NC[C@H](C)[NH+](C)C ZINC000455429776 564553246 /nfs/dbraw/zinc/55/32/46/564553246.db2.gz JSFWCYMGRRCJHN-NSHDSACASA-N 1 0 378.336 2.619 20 0 GFADRO C[C@H]1CCN(CC[NH2+][C@@H]2CCS(=O)(=O)c3ccc(Br)cc32)C1 ZINC000548483235 564553763 /nfs/dbraw/zinc/55/37/63/564553763.db2.gz IJFBWPSZUBHNKN-SWLSCSKDSA-N 1 0 387.343 2.599 20 0 GFADRO CNC(=O)c1cccc(NC(=O)NC(C)(C)C[NH+]2CCCC2)c1Br ZINC000455435565 564554107 /nfs/dbraw/zinc/55/41/07/564554107.db2.gz QCQQGJOJHRWALC-UHFFFAOYSA-N 1 0 397.317 2.805 20 0 GFADRO CC[C@@H]1C[N@H+](C)CCCN1S(=O)(=O)c1cc(F)ccc1Br ZINC000518441879 564554572 /nfs/dbraw/zinc/55/45/72/564554572.db2.gz PYAFJSUUODWUEI-GFCCVEGCSA-N 1 0 379.295 2.693 20 0 GFADRO C[C@@H](CO)[N@@H+]1CCCN(C(=O)Nc2ccc(Br)c(C3CC3)n2)CC1 ZINC000455604363 564559592 /nfs/dbraw/zinc/55/95/92/564559592.db2.gz VXACDVBXAJFSIG-LBPRGKRZSA-N 1 0 397.317 2.642 20 0 GFADRO C[C@H](C[NH2+]CC1(c2cccc(C(F)(F)F)c2)CCOCC1)S(C)(=O)=O ZINC000571633174 564560219 /nfs/dbraw/zinc/56/02/19/564560219.db2.gz ZSZKVVOQVHBIBG-CYBMUJFWSA-N 1 0 379.444 2.776 20 0 GFADRO O=C(NC[C@@H]1CCC[NH2+]C1)Nc1ccc(-c2ccc(Br)s2)nn1 ZINC000571652194 564560789 /nfs/dbraw/zinc/56/07/89/564560789.db2.gz HLCTUHPWKXWXOS-SNVBAGLBSA-N 1 0 396.314 3.089 20 0 GFADRO C[C@@H]1CC[NH2+]C[C@@H]1NS(=O)(=O)c1ccc2ccccc2c1Br ZINC000571682096 564562096 /nfs/dbraw/zinc/56/20/96/564562096.db2.gz TUIZMAPFOZZHKR-RISCZKNCSA-N 1 0 383.311 2.879 20 0 GFADRO CC[NH+](CC)CCNC(=O)Nc1cc(OC)ccc1I ZINC000518813210 564562624 /nfs/dbraw/zinc/56/26/24/564562624.db2.gz FRIMYOABNHRUJX-UHFFFAOYSA-N 1 0 391.253 2.763 20 0 GFADRO C[C@@H]1CCNC(=O)[C@H]1[NH2+]Cc1cc(Br)cc(Br)c1 ZINC000571717846 564564082 /nfs/dbraw/zinc/56/40/82/564564082.db2.gz HQOOKNDIUCSJDW-PELKAZGASA-N 1 0 376.092 2.826 20 0 GFADRO C[C@H]1C[N@H+](CCCNC(=O)Nc2nc(CC(F)(F)F)cs2)CCCO1 ZINC000455687498 564565103 /nfs/dbraw/zinc/56/51/03/564565103.db2.gz PWBZMJJRTLXNLJ-NSHDSACASA-N 1 0 380.436 2.870 20 0 GFADRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)Nc1nc(CC(F)(F)F)cs1 ZINC000455721417 564566759 /nfs/dbraw/zinc/56/67/59/564566759.db2.gz JZYFNQRJZFKMLT-GFCCVEGCSA-N 1 0 380.436 2.822 20 0 GFADRO O[C@H](C[NH2+][C@@H]1CCN2CCCC[C@H]12)COc1cc(F)cc(Br)c1 ZINC000518963761 564566800 /nfs/dbraw/zinc/56/68/00/564566800.db2.gz OHRHMGGTZNJJSQ-DJIMGWMZSA-N 1 0 387.293 2.544 20 0 GFADRO CS[C@@H]1CN(C(=O)[C@@H](c2cccc(Cl)c2)N(C)C)C[C@@H]1[NH+]1CCCC1 ZINC000483407851 564567047 /nfs/dbraw/zinc/56/70/47/564567047.db2.gz RYYXWFMPMNYMGJ-RCCFBDPRSA-N 1 0 381.973 2.981 20 0 GFADRO Cc1[nH]c(=O)c(C(=O)N2CC[N@@H+]([C@@H]3C[C@@H]3C)C[C@@H](C)C2)cc1Br ZINC000519014845 564567574 /nfs/dbraw/zinc/56/75/74/564567574.db2.gz QENVVYBZRPTLIG-JRPNMDOOSA-N 1 0 382.302 2.660 20 0 GFADRO Cc1ccsc1[C@@H](CO)[NH2+]Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000548626336 564568017 /nfs/dbraw/zinc/56/80/17/564568017.db2.gz FHJOZTFKBRQMAU-CYBMUJFWSA-N 1 0 394.294 2.650 20 0 GFADRO CC(C)[N@@H+]1CC[C@H](CNC(=O)c2ccc(I)c(F)c2)C1 ZINC000519101496 564569151 /nfs/dbraw/zinc/56/91/51/564569151.db2.gz NRALQEIBDRRAQR-LLVKDONJSA-N 1 0 390.240 2.890 20 0 GFADRO CCN(CC[NH+]1CCCCCC1)S(=O)(=O)c1c(C(F)F)c(C)nn1C ZINC000519116008 564570584 /nfs/dbraw/zinc/57/05/84/564570584.db2.gz FRUIIWMZAVLYHB-UHFFFAOYSA-N 1 0 378.489 2.553 20 0 GFADRO O=C([C@H](c1ccc(Br)cc1)N1CCCC1)N1CCC2(CC[NH2+]2)CC1 ZINC000571880950 564570920 /nfs/dbraw/zinc/57/09/20/564570920.db2.gz RJBYUMSRRUNSTL-KRWDZBQOSA-N 1 0 392.341 2.941 20 0 GFADRO CCN1CC[NH+](CCCCNC(=O)Nc2cc(Br)cnc2C)CC1 ZINC000455807323 564572496 /nfs/dbraw/zinc/57/24/96/564572496.db2.gz SFWRMRWSAUUQDO-UHFFFAOYSA-N 1 0 398.349 2.692 20 0 GFADRO C[C@@H](NS(=O)(=O)c1csc(-c2ccc(Br)cc2)n1)[C@H](C)[NH3+] ZINC000571921017 564572733 /nfs/dbraw/zinc/57/27/33/564572733.db2.gz VPRPRIWKPLUGEB-DTWKUNHWSA-N 1 0 390.328 2.587 20 0 GFADRO COC(=O)c1cc(Br)c(F)cc1NC(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000519400874 564576705 /nfs/dbraw/zinc/57/67/05/564576705.db2.gz UGWSTGVJCVHHQT-JGVFFNPUSA-N 1 0 376.226 2.622 20 0 GFADRO [NH3+]CC[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2Br)C1 ZINC000519400724 564576782 /nfs/dbraw/zinc/57/67/82/564576782.db2.gz NHXCVZMJPJETAG-NSHDSACASA-N 1 0 395.750 2.993 20 0 GFADRO OCCC1(C[NH2+]C[C@H](O)COc2cc(F)cc(Br)c2)CCCC1 ZINC000572001544 564576973 /nfs/dbraw/zinc/57/69/73/564576973.db2.gz IKYIDLITONRNLY-HNNXBMFYSA-N 1 0 390.293 2.860 20 0 GFADRO Cc1ccc(Cl)c(S(=O)(=O)N(C)CCC[N@@H+](C)CCN(C)C)c1Cl ZINC000572073015 564580138 /nfs/dbraw/zinc/58/01/38/564580138.db2.gz AZJNTZCUESJEBT-UHFFFAOYSA-N 1 0 396.384 2.806 20 0 GFADRO CCC(CC)(CCO)[NH2+]CC(=O)Nc1cccc(I)c1 ZINC000548939833 564580835 /nfs/dbraw/zinc/58/08/35/564580835.db2.gz MNTOITFFQGYVFZ-UHFFFAOYSA-N 1 0 390.265 2.761 20 0 GFADRO C[NH+](C)CCCCC(=O)NCCOc1ccc(I)cc1 ZINC000548910616 564581324 /nfs/dbraw/zinc/58/13/24/564581324.db2.gz FFJNQBQALZKDKH-UHFFFAOYSA-N 1 0 390.265 2.518 20 0 GFADRO O=C(N[C@H](c1ccsc1)c1ccc(Cl)cc1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000484106996 564582382 /nfs/dbraw/zinc/58/23/82/564582382.db2.gz YMCOCWWSEVDBED-MSOLQXFVSA-N 1 0 375.925 2.997 20 0 GFADRO COCCOC[C@@H](O)C[NH2+][C@@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC000519594779 564582500 /nfs/dbraw/zinc/58/25/00/564582500.db2.gz LLBXIIZABHZSFF-SUMWQHHRSA-N 1 0 397.313 2.921 20 0 GFADRO O=C(c1ccc(I)cn1)N1CC[NH+](C2CCCCC2)CC1 ZINC000456013603 564583377 /nfs/dbraw/zinc/58/33/77/564583377.db2.gz NDIARQPAZATTFJ-UHFFFAOYSA-N 1 0 399.276 2.777 20 0 GFADRO CC(C)[C@H](CO)[C@@H]([NH2+]Cc1cc(=O)n2cc(Br)ccc2n1)C(C)C ZINC000519626076 564584202 /nfs/dbraw/zinc/58/42/02/564584202.db2.gz ZDVBZDGCYLKZMF-YJBOKZPZSA-N 1 0 396.329 2.836 20 0 GFADRO Cc1nc2cc(Cl)c(NC(=O)C(=O)N3CC[N@@H+](C)CC[C@@H]3C)cc2s1 ZINC000484323395 564586621 /nfs/dbraw/zinc/58/66/21/564586621.db2.gz GWAFFRLGDACNRA-JTQLQIEISA-N 1 0 380.901 2.749 20 0 GFADRO C[C@@H](C[NH+](C)C)NC(=O)N[C@@H](C)c1cc2c(cc1Br)OCCO2 ZINC000484368973 564587437 /nfs/dbraw/zinc/58/74/37/564587437.db2.gz GAASIVQMBRHHTE-QWRGUYRKSA-N 1 0 386.290 2.531 20 0 GFADRO C[C@H](Cc1ccc(F)c(Br)c1)C(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000519718454 564587898 /nfs/dbraw/zinc/58/78/98/564587898.db2.gz ZPPKSEPWDCMNNM-NOZJJQNGSA-N 1 0 379.220 2.880 20 0 GFADRO CCS(=O)(=O)CCC[NH2+][C@H](C)CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000519749897 564589635 /nfs/dbraw/zinc/58/96/35/564589635.db2.gz HGPQXWBIJZNAQX-GFCCVEGCSA-N 1 0 380.432 2.837 20 0 GFADRO O[C@H](C[NH2+]CCn1cc(Br)cn1)Cc1ccccc1C(F)(F)F ZINC000519824082 564592169 /nfs/dbraw/zinc/59/21/69/564592169.db2.gz SLCPETCPCXENLR-ZDUSSCGKSA-N 1 0 392.219 2.858 20 0 GFADRO CSCC[C@H](CO)[NH2+]C[C@H](O)COc1ccc(Cl)cc1Br ZINC000519822787 564592475 /nfs/dbraw/zinc/59/24/75/564592475.db2.gz DRYPKYADPVWDET-NEPJUHHUSA-N 1 0 398.750 2.546 20 0 GFADRO CCO[C@@H]1COCC[C@H]1[NH2+]CC(=O)N[C@H](C)c1ccc(Cl)cc1Cl ZINC000484627457 564592558 /nfs/dbraw/zinc/59/25/58/564592558.db2.gz ZWZLKTVQGIMSNO-HFBAOOFYSA-N 1 0 375.296 2.954 20 0 GFADRO CS[C@H]1CN(Cc2ccc(S(=O)(=O)C(C)C)cc2)C[C@H]1[NH+]1CCCC1 ZINC000484644789 564593749 /nfs/dbraw/zinc/59/37/49/564593749.db2.gz MJRCKRDGXYYQJY-MOPGFXCFSA-N 1 0 382.595 2.880 20 0 GFADRO CCO[C@@H]1COCC[C@H]1[NH2+][C@H](C)C(=O)Nc1ccc(Br)c(C)c1 ZINC000484648526 564593919 /nfs/dbraw/zinc/59/39/19/564593919.db2.gz JMNCSHMLLGZRHU-DAXOMENPSA-N 1 0 385.302 2.868 20 0 GFADRO C[N@@H+]1CCC[C@]2(CCN(S(=O)(=O)Cc3ccccc3Br)C2)C1 ZINC000549509644 564596041 /nfs/dbraw/zinc/59/60/41/564596041.db2.gz WEIVMOPICIGQOW-INIZCTEOSA-N 1 0 387.343 2.697 20 0 GFADRO C[NH+](C)C1(CNS(=O)(=O)c2cncc(Br)c2)CCCCCC1 ZINC000520124597 564597646 /nfs/dbraw/zinc/59/76/46/564597646.db2.gz OBUQKJDKOHKOHS-UHFFFAOYSA-N 1 0 390.347 2.777 20 0 GFADRO O=S(=O)(c1ccc(F)c(Br)c1)N1CCC2(CC[NH2+]CC2)CC1 ZINC000572521573 564598778 /nfs/dbraw/zinc/59/87/78/564598778.db2.gz LNTVJBGIIZUWCC-UHFFFAOYSA-N 1 0 391.306 2.743 20 0 GFADRO O=C(Nc1nc(SCc2ccccc2)ns1)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000572583874 564600809 /nfs/dbraw/zinc/60/08/09/564600809.db2.gz VUBOUNBSFQHKJA-UONOGXRCSA-N 1 0 375.523 2.904 20 0 GFADRO Brc1ccn2cc(C[NH2+][C@@H]3CCCC[C@H]3N3CCOCC3)nc2c1 ZINC000520343953 564601448 /nfs/dbraw/zinc/60/14/48/564601448.db2.gz OLDKPNGRVCIXEP-IAGOWNOFSA-N 1 0 393.329 2.830 20 0 GFADRO C[C@H]([NH2+]CC(=O)Nc1ccc(Cl)cn1)C1CCN(CC(F)(F)F)CC1 ZINC000549688320 564602180 /nfs/dbraw/zinc/60/21/80/564602180.db2.gz SEBWDGHWBJBCQG-NSHDSACASA-N 1 0 378.826 2.926 20 0 GFADRO C[C@H]1C[N@H+](C)CCN1c1ccc(Br)cc1NC(=O)c1cnccn1 ZINC000456362610 564602299 /nfs/dbraw/zinc/60/22/99/564602299.db2.gz DLTGNHXTSVKLAD-LBPRGKRZSA-N 1 0 390.285 2.632 20 0 GFADRO O=C(NCCC1=CC[NH2+]CC1)N[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000520374628 564602304 /nfs/dbraw/zinc/60/23/04/564602304.db2.gz OSRCPSZOVALIKA-INIZCTEOSA-N 1 0 393.329 2.637 20 0 GFADRO CC(C)[C@@H](O)C(=O)Nc1cc(Br)ccc1N1CC[N@H+](C)C[C@@H]1C ZINC000456375496 564603186 /nfs/dbraw/zinc/60/31/86/564603186.db2.gz QTMAMRCRSFFWLM-BLLLJJGKSA-N 1 0 384.318 2.545 20 0 GFADRO COc1cc(Br)ccc1C(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000485119295 564607409 /nfs/dbraw/zinc/60/74/09/564607409.db2.gz SXWVPNRKAWGENY-UHFFFAOYSA-N 1 0 385.302 2.641 20 0 GFADRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1c1nnc(-c2cc(Br)c[nH]2)n1C ZINC000520557479 564607418 /nfs/dbraw/zinc/60/74/18/564607418.db2.gz QWXQIFWXWXNSPH-AAEUAGOBSA-N 1 0 379.306 2.636 20 0 GFADRO Cn1ccnc1[C@@H]([NH2+]CCC1CCS(=O)(=O)CC1)c1ccc(Cl)cc1 ZINC000572713338 564607538 /nfs/dbraw/zinc/60/75/38/564607538.db2.gz PSKYRLLMMOAWAF-KRWDZBQOSA-N 1 0 381.929 2.967 20 0 GFADRO COc1ccc(C(=O)N2CCC(OCC[NH+](C)C)CC2)cc1Br ZINC000485119422 564607737 /nfs/dbraw/zinc/60/77/37/564607737.db2.gz OBKGIWCCDFQQOO-UHFFFAOYSA-N 1 0 385.302 2.641 20 0 GFADRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(Br)c(O)c(OC)c2)[C@H]1n1cccn1 ZINC000549939380 564609665 /nfs/dbraw/zinc/60/96/65/564609665.db2.gz MDXFZAXKJWISBL-IIAWOOMASA-N 1 0 396.285 2.868 20 0 GFADRO C[NH+](C)C1(CNC(=O)C(=O)NCc2cccc(Cl)c2Cl)CCCCC1 ZINC000549935426 564609767 /nfs/dbraw/zinc/60/97/67/564609767.db2.gz DSCLPSDJCQHRJU-UHFFFAOYSA-N 1 0 386.323 2.990 20 0 GFADRO CC(C)(C)NS(=O)(=O)CC[NH2+]Cc1cc(Br)c(Cl)s1 ZINC000520686348 564610078 /nfs/dbraw/zinc/61/00/78/564610078.db2.gz QDCSHYSADDXAOO-UHFFFAOYSA-N 1 0 389.768 2.972 20 0 GFADRO CC[C@H](C[NH2+]Cc1cc(I)c(OC)c(OC)c1)OC ZINC000572804499 564610997 /nfs/dbraw/zinc/61/09/97/564610997.db2.gz GYLVSNYEENTJFD-LLVKDONJSA-N 1 0 379.238 2.823 20 0 GFADRO CCC[C@H](C(=O)NC[C@H](CO)Cc1ccc(C)c(Br)c1)[NH+](C)C ZINC000456486009 564611224 /nfs/dbraw/zinc/61/12/24/564611224.db2.gz IEUSQNHVXKJBHG-NVXWUHKLSA-N 1 0 385.346 2.755 20 0 GFADRO COCC[N@@H+]1CC[C@@H](NC(=O)c2ccn(-c3ccc(Cl)c(Cl)c3)n2)C1 ZINC000520767359 564612312 /nfs/dbraw/zinc/61/23/12/564612312.db2.gz MYKZMQJWWFZPHG-GFCCVEGCSA-N 1 0 383.279 2.630 20 0 GFADRO CCS[C@@H]1CCC[C@@H](NC(=O)C(=O)NC[C@@H](c2cccs2)[NH+](C)C)C1 ZINC000550001820 564612565 /nfs/dbraw/zinc/61/25/65/564612565.db2.gz PTRDGUHXWPAEGQ-KFWWJZLASA-N 1 0 383.583 2.648 20 0 GFADRO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCc1cc(Cl)cc(I)c1 ZINC000572840212 564613078 /nfs/dbraw/zinc/61/30/78/564613078.db2.gz WSJCYCBHCNIYHR-STQMWFEESA-N 1 0 392.668 2.949 20 0 GFADRO COc1ccc([C@H](NCc2nn(C)cc2Br)[C@H]2CCC[NH2+]2)cc1 ZINC000520792937 564613086 /nfs/dbraw/zinc/61/30/86/564613086.db2.gz ZONGRBOWOQOCKC-WBVHZDCISA-N 1 0 379.302 2.774 20 0 GFADRO [NH3+]CC[C@H](NC(=O)CCNc1ncc(C(F)(F)F)cc1Cl)C(F)(F)F ZINC000520810404 564614246 /nfs/dbraw/zinc/61/42/46/564614246.db2.gz QQAGOYQJAHHPKH-VIFPVBQESA-N 1 0 392.731 2.952 20 0 GFADRO CCCOc1c(Br)cc(C[NH2+][C@H]2CC(=O)N(C)C2)cc1OCC ZINC000520973109 564616268 /nfs/dbraw/zinc/61/62/68/564616268.db2.gz IPJOXSLTTVPSFZ-ZDUSSCGKSA-N 1 0 385.302 2.957 20 0 GFADRO O=C(NCc1cc(Cl)cc(I)c1)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000572999165 564618612 /nfs/dbraw/zinc/61/86/12/564618612.db2.gz JFCXPRABJZACPZ-JSGCOSHPSA-N 1 0 390.652 2.560 20 0 GFADRO CCOCCC[N@@H+]1CC[C@@H](NS(=O)(=O)c2cc(Cl)ccc2F)[C@H](C)C1 ZINC000521079044 564619143 /nfs/dbraw/zinc/61/91/43/564619143.db2.gz KGBPUZVUTQIJIO-CZUORRHYSA-N 1 0 392.924 2.894 20 0 GFADRO C[NH+](C)CCN(Cc1cccs1)C(=O)C(=O)NCc1cccc(Cl)c1 ZINC000550297319 564620174 /nfs/dbraw/zinc/62/01/74/564620174.db2.gz NJEWPGYGAOOUBC-UHFFFAOYSA-N 1 0 379.913 2.608 20 0 GFADRO CC[NH+]1CCN([C@H]2CCN(C(=O)c3c(C)ccc(Br)c3C)C2)CC1 ZINC000550390663 564622432 /nfs/dbraw/zinc/62/24/32/564622432.db2.gz BNEFWDHNHXOGRD-INIZCTEOSA-N 1 0 394.357 2.918 20 0 GFADRO C[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2CC(=O)N(c3cc(Cl)cc(Cl)c3)C2)C1 ZINC000521247002 564622522 /nfs/dbraw/zinc/62/25/22/564622522.db2.gz XANAKIQKMNWTAP-DOMZBBRYSA-N 1 0 384.307 2.899 20 0 GFADRO O=C(NC1CC[NH+](C2CC2)CC1)c1cnc2ccc(Br)cc2c1O ZINC000521358669 564625882 /nfs/dbraw/zinc/62/58/82/564625882.db2.gz OBCDZNXJLLNBFX-UHFFFAOYSA-N 1 0 390.281 2.647 20 0 GFADRO O=C(NC[C@@H]1C[NH2+]CCCO1)N[C@@H](c1ccc(F)c(Cl)c1)C(F)(F)F ZINC000521407613 564626394 /nfs/dbraw/zinc/62/63/94/564626394.db2.gz ZMEGDBSAPPPAFY-GWCFXTLKSA-N 1 0 383.773 2.760 20 0 GFADRO Cc1cccc(C(=O)N2CC[C@]3(C2)CCC[NH2+]C3)c1I ZINC000521425853 564626529 /nfs/dbraw/zinc/62/65/29/564626529.db2.gz ZOJDIAGTBFENLL-MRXNPFEDSA-N 1 0 384.261 2.815 20 0 GFADRO O=C(NC[C@H]1C[NH2+]CCCO1)N[C@H](c1ccc(F)c(Cl)c1)C(F)(F)F ZINC000521407618 564626788 /nfs/dbraw/zinc/62/67/88/564626788.db2.gz ZMEGDBSAPPPAFY-ZWNOBZJWSA-N 1 0 383.773 2.760 20 0 GFADRO C[N@@H+]1CCC[C@]2(CCN(S(=O)(=O)c3cccc4c(Cl)ccnc43)C2)C1 ZINC000573197512 564627394 /nfs/dbraw/zinc/62/73/94/564627394.db2.gz CBGJRYFOQJXUEZ-SFHVURJKSA-N 1 0 379.913 2.995 20 0 GFADRO C[C@H](NC(=O)[C@H]1C[N@H+](C)C[C@H]1C)c1cc2c(cc1Br)OCCO2 ZINC000485974324 564633681 /nfs/dbraw/zinc/63/36/81/564633681.db2.gz CTLSGKFUWIFPTP-MDZLAQPJSA-N 1 0 383.286 2.595 20 0 GFADRO O=C(NCC[NH2+][C@@H]1COc2ccccc2C1)c1cccc(Br)c1 ZINC000551085311 564636957 /nfs/dbraw/zinc/63/69/57/564636957.db2.gz ACSNTPWVNLQNMX-INIZCTEOSA-N 1 0 375.266 2.772 20 0 GFADRO CC[NH+]1CCN(CC(C)(C)NC(=O)Cc2cscc2Br)CC1 ZINC000456881417 564637981 /nfs/dbraw/zinc/63/79/81/564637981.db2.gz MTFVFFKMUUMBAU-UHFFFAOYSA-N 1 0 388.375 2.585 20 0 GFADRO COCCO[C@@H]1COCC[C@@H]1[NH2+][C@H]1CCc2c1cc(Br)cc2F ZINC000486086635 564638789 /nfs/dbraw/zinc/63/87/89/564638789.db2.gz LESHCBKDTUDQJH-YESZJQIVSA-N 1 0 388.277 2.986 20 0 GFADRO CC[NH+]1CCN(CC(C)(C)NC(=O)Cc2ccccc2Br)CC1 ZINC000456903488 564638868 /nfs/dbraw/zinc/63/88/68/564638868.db2.gz RGVCWXBREYQRNS-UHFFFAOYSA-N 1 0 382.346 2.524 20 0 GFADRO O=S(=O)(C[C@@H](O)C[NH2+]CCCc1c(F)cccc1Cl)c1cccs1 ZINC000521992050 564640618 /nfs/dbraw/zinc/64/06/18/564640618.db2.gz SLLMJDDTXIZILE-LBPRGKRZSA-N 1 0 391.917 2.898 20 0 GFADRO CSc1cccc(C)c1NC(=O)C(=O)NCC1(SC)CC[NH+](C)CC1 ZINC000573530874 564642631 /nfs/dbraw/zinc/64/26/31/564642631.db2.gz BDUJXLZBFBYYRU-UHFFFAOYSA-N 1 0 381.567 2.599 20 0 GFADRO C[C@@H]1CN(CCC[NH2+]Cc2cccc(I)c2)C[C@@H](C)O1 ZINC000551219936 564642835 /nfs/dbraw/zinc/64/28/35/564642835.db2.gz BBJPEEHZFHKLSB-ZIAGYGMSSA-N 1 0 388.293 2.880 20 0 GFADRO O=C(C[NH2+][C@@H]1CCCSC1)Nc1ccc(I)cc1 ZINC000551238024 564643585 /nfs/dbraw/zinc/64/35/85/564643585.db2.gz RFLVEHKOXQEIAY-GFCCVEGCSA-N 1 0 376.263 2.715 20 0 GFADRO C[C@H]1C[C@@H]([NH2+]Cc2cc(C(F)(F)F)cc(S(C)(=O)=O)c2)CN1C1CC1 ZINC000551231529 564643844 /nfs/dbraw/zinc/64/38/44/564643844.db2.gz OWSKNWZOIHXGMA-SMDDNHRTSA-N 1 0 376.444 2.824 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N[C@H]2CCC[N@H+](C)[C@H]2C)cc1Br ZINC000486225981 564644335 /nfs/dbraw/zinc/64/43/35/564644335.db2.gz MJCNKSBOXCQWAJ-JSGCOSHPSA-N 1 0 382.302 2.603 20 0 GFADRO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]CCCCNc1ccccn1 ZINC000551264943 564644558 /nfs/dbraw/zinc/64/45/58/564644558.db2.gz GVHSZHADNNVPNB-AWEZNQCLSA-N 1 0 379.302 2.876 20 0 GFADRO O=C(N[C@@H]1CCOc2c(Br)cccc21)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000573582670 564644980 /nfs/dbraw/zinc/64/49/80/564644980.db2.gz JRKAXQBYVLPBMN-TYNCELHUSA-N 1 0 380.286 2.809 20 0 GFADRO O=C(NCC[NH2+]C[C@H](O)COc1c(Cl)cccc1Cl)c1ccccc1 ZINC000573595954 564645011 /nfs/dbraw/zinc/64/50/11/564645011.db2.gz NNZCHCYFDRWXSP-AWEZNQCLSA-N 1 0 383.275 2.753 20 0 GFADRO O=S(=O)(CC[NH2+][C@@H]1CCC[C@H]2OCC[C@@H]21)c1cccc(Br)c1 ZINC000573597822 564645142 /nfs/dbraw/zinc/64/51/42/564645142.db2.gz WHYBMSPOLVITNH-BZUAXINKSA-N 1 0 388.327 2.770 20 0 GFADRO COc1ccc([C@@H](C)[NH2+]C[C@H]2CCCCN2S(=O)(=O)N(C)C)cc1Cl ZINC000573642842 564647864 /nfs/dbraw/zinc/64/78/64/564647864.db2.gz ZPRARZDKQQWJOR-UKRRQHHQSA-N 1 0 389.949 2.660 20 0 GFADRO CC[NH+](CC)CCS(=O)(=O)NC[C@H](c1ccccc1Cl)N1CCCC1 ZINC000573648280 564647965 /nfs/dbraw/zinc/64/79/65/564647965.db2.gz WTRFLCAIVATQLK-GOSISDBHSA-N 1 0 387.977 2.738 20 0 GFADRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(F)cc2I)C1 ZINC000457123628 564648530 /nfs/dbraw/zinc/64/85/30/564648530.db2.gz PJXSYNHNFAJFCJ-GFCCVEGCSA-N 1 0 390.240 2.985 20 0 GFADRO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)Nc2cc(Br)c(C)cc2C)C1 ZINC000486402505 564651780 /nfs/dbraw/zinc/65/17/80/564651780.db2.gz FLRNPLCEMVUIGK-CQSZACIVSA-N 1 0 396.329 2.947 20 0 GFADRO C[C@H]1C[C@@H](NS(=O)(=O)Cc2ccc(Cl)cc2Br)CC[NH2+]1 ZINC000573722787 564651868 /nfs/dbraw/zinc/65/18/68/564651868.db2.gz HEFNEZNSGUAKJU-CABZTGNLSA-N 1 0 381.723 2.662 20 0 GFADRO COc1ccc([C@H]2CCN(C(=O)CSCC(F)(F)F)C[C@H]2[NH3+])cc1F ZINC000457388468 564659760 /nfs/dbraw/zinc/65/97/60/564659760.db2.gz VHGOLAHPDUYZGB-DGCLKSJQSA-N 1 0 380.407 2.773 20 0 GFADRO COCCOC[C@H](O)C[NH2+][C@H]1CCCN(c2ccc(Cl)cc2Cl)C1 ZINC000573913220 564659832 /nfs/dbraw/zinc/65/98/32/564659832.db2.gz APSBHMUTKQLHJH-LSDHHAIUSA-N 1 0 377.312 2.576 20 0 GFADRO [NH3+][C@@H]1CN(C(=O)c2ncccc2Br)CC[C@H]1c1ccc(F)cc1 ZINC000573913834 564660077 /nfs/dbraw/zinc/66/00/77/564660077.db2.gz JGDIUXWNIJESDL-DZGCQCFKSA-N 1 0 378.245 2.940 20 0 GFADRO O[C@H]([C@@H]1CCC[N@H+]1C[C@H](O)COc1ccc(Br)cc1)C(F)(F)F ZINC000523017215 564661476 /nfs/dbraw/zinc/66/14/76/564661476.db2.gz BYZKTTPTUQKGAP-FPMFFAJLSA-N 1 0 398.219 2.576 20 0 GFADRO C[N@@H+]1CC[C@H]2CCN(S(=O)(=O)c3cc(Br)ccc3Cl)[C@H]2C1 ZINC000486697246 564663191 /nfs/dbraw/zinc/66/31/91/564663191.db2.gz NQGZAZSYQBMIBD-GWCFXTLKSA-N 1 0 393.734 2.817 20 0 GFADRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)[C@@H](c1ccc(Br)cc1)N1CCCC1 ZINC000574038720 564665607 /nfs/dbraw/zinc/66/56/07/564665607.db2.gz MGFIAPPIHFMVHH-XOKHGSTOSA-N 1 0 380.330 2.700 20 0 GFADRO O=C(NCC1CC[NH2+]CC1)N1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000574059948 564667380 /nfs/dbraw/zinc/66/73/80/564667380.db2.gz DSSFDCRWUNRJNE-INIZCTEOSA-N 1 0 382.302 2.532 20 0 GFADRO C[C@@H](C[NH2+][C@@H](c1cccc(Br)c1)C1CCOCC1)S(C)(=O)=O ZINC000574097365 564667757 /nfs/dbraw/zinc/66/77/57/564667757.db2.gz XNJDJHUAUYDAJS-BLLLJJGKSA-N 1 0 390.343 2.940 20 0 GFADRO CC(C)[NH+]1CCN(C2CCN(C(=O)c3cc(Br)co3)CC2)CC1 ZINC000457668996 564667927 /nfs/dbraw/zinc/66/79/27/564667927.db2.gz AIRWCMRBWLRBPC-UHFFFAOYSA-N 1 0 384.318 2.673 20 0 GFADRO O=C(N[C@H](CO)c1cccc(Br)c1)C1C[NH+](C2CCCCC2)C1 ZINC000457700357 564669881 /nfs/dbraw/zinc/66/98/81/564669881.db2.gz TVTCHXWJYIFONA-QGZVFWFLSA-N 1 0 381.314 2.863 20 0 GFADRO COc1ccc([C@H](C[NH2+]Cc2c(Br)cnn2C)N(C)C)cc1OC ZINC000486958876 564671689 /nfs/dbraw/zinc/67/16/89/564671689.db2.gz PYRGTRINXBCBRK-AWEZNQCLSA-N 1 0 397.317 2.592 20 0 GFADRO CC(C)[C@H]1CN(C(=O)Nc2ccc(NS(C)(=O)=O)c(Cl)c2)CC[N@@H+]1C ZINC000486962325 564671982 /nfs/dbraw/zinc/67/19/82/564671982.db2.gz CAQGGMLSBXGIBT-OAHLLOKOSA-N 1 0 388.921 2.515 20 0 GFADRO C[C@H]1CCC[C@](CNC(=O)c2cc(I)c[nH]2)([NH+](C)C)C1 ZINC000523744145 564672465 /nfs/dbraw/zinc/67/24/65/564672465.db2.gz MNGBQHVDNNVOAS-NHYWBVRUSA-N 1 0 389.281 2.860 20 0 GFADRO C[NH+](C)CC1(NC(=O)c2cn(Cc3ccc(Cl)cc3Cl)nn2)CCC1 ZINC000457801816 564673973 /nfs/dbraw/zinc/67/39/73/564673973.db2.gz YHFMBWXYBKKGCV-UHFFFAOYSA-N 1 0 382.295 2.847 20 0 GFADRO C[C@@H](Sc1ccc(Br)cc1)C(=O)NC[C@]1(O)C[NH+]2CCC1CC2 ZINC000552026801 564674640 /nfs/dbraw/zinc/67/46/40/564674640.db2.gz DXXZAIJZCUXWGE-PXAZEXFGSA-N 1 0 399.354 2.503 20 0 GFADRO O=S(=O)(NCCC[C@H]1CCC[NH2+]1)c1ccc(Br)c(Cl)c1 ZINC000574518501 564677105 /nfs/dbraw/zinc/67/71/05/564677105.db2.gz KXJJNSIMKGIQGR-SNVBAGLBSA-N 1 0 381.723 2.913 20 0 GFADRO COc1cc(OC)c([C@@H](C)[NH2+]C[C@@H]2CCCCN2S(C)(=O)=O)cc1Cl ZINC000552100360 564677207 /nfs/dbraw/zinc/67/72/07/564677207.db2.gz HLDVEZUYVLEQEN-OLZOCXBDSA-N 1 0 390.933 2.822 20 0 GFADRO CCC[N@H+](C)[C@@H](CNS(=O)(=O)c1cn(C)nc1C)c1ccc(Cl)cc1 ZINC000574543296 564678469 /nfs/dbraw/zinc/67/84/69/564678469.db2.gz SZQFGNFMGKJKQI-INIZCTEOSA-N 1 0 384.933 2.743 20 0 GFADRO OC[C@@]1([C@H]([NH2+]Cc2cc(Br)cc3c2OCC3)C2CC2)CCCO1 ZINC000552147100 564679286 /nfs/dbraw/zinc/67/92/86/564679286.db2.gz LTZVRYZBJNTQGW-QZTJIDSGSA-N 1 0 382.298 2.794 20 0 GFADRO CCS(=O)(=O)N1CCC(C[NH2+]Cc2cscc2Br)CC1 ZINC000552160139 564680336 /nfs/dbraw/zinc/68/03/36/564680336.db2.gz UCIYIQQDWWGGFS-UHFFFAOYSA-N 1 0 381.361 2.662 20 0 GFADRO O=C([C@H]1CCCC[N@H+]1CCOc1ccc(Br)cc1)N1CCOCC1 ZINC000524309768 564680150 /nfs/dbraw/zinc/68/01/50/564680150.db2.gz GQFLMSCZLUWJCK-QGZVFWFLSA-N 1 0 397.313 2.541 20 0 GFADRO COCC[N@H+](C)CC[C@@H](NCc1c(Br)cnn1C)c1ccccc1 ZINC000487273317 564680752 /nfs/dbraw/zinc/68/07/52/564680752.db2.gz INWIVUGGDHMRER-QGZVFWFLSA-N 1 0 395.345 2.982 20 0 GFADRO O=c1cc(C[N@H+]2CC[C@@H](COC(F)F)C2)nc2ccc(Br)cn12 ZINC000552189134 564681094 /nfs/dbraw/zinc/68/10/94/564681094.db2.gz QVYRZXZYLHOXJF-SNVBAGLBSA-N 1 0 388.212 2.518 20 0 GFADRO [NH3+][C@H]1CCC[C@H](CNC(=O)c2ccc(S(=O)(=O)c3ccccc3)s2)C1 ZINC000574630682 564681516 /nfs/dbraw/zinc/68/15/16/564681516.db2.gz NCZJVFUDCKLOFP-KBPBESRZSA-N 1 0 378.519 2.828 20 0 GFADRO C[C@@H](NC(=O)C(=O)NCCc1cc(Cl)cc(Cl)c1)C(C)(C)C[NH+](C)C ZINC000552195231 564681978 /nfs/dbraw/zinc/68/19/78/564681978.db2.gz FCABJRISXBWWIU-GFCCVEGCSA-N 1 0 388.339 2.745 20 0 GFADRO COc1ccsc1S(=O)(=O)N1CC[C@@H]([N@H+](C)CCc2ccccc2)C1 ZINC000574652644 564683854 /nfs/dbraw/zinc/68/38/54/564683854.db2.gz UHEUPPCONWGRQN-MRXNPFEDSA-N 1 0 380.535 2.694 20 0 GFADRO O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)N(CCO)Cc1cccc(Br)c1 ZINC000487375959 564685165 /nfs/dbraw/zinc/68/51/65/564685165.db2.gz KGJSCGHMEXGICL-IRXDYDNUSA-N 1 0 396.329 2.580 20 0 GFADRO CC[NH+](CC)C[C@H](C)NC(=O)N(CCO)Cc1cccc(Br)c1 ZINC000487390418 564686522 /nfs/dbraw/zinc/68/65/22/564686522.db2.gz DLMGMLXBNQWRJL-AWEZNQCLSA-N 1 0 386.334 2.683 20 0 GFADRO C[C@H]1CC[N@H+](CCNS(=O)(=O)c2ccc(Br)cc2Cl)C1 ZINC000524790949 564687904 /nfs/dbraw/zinc/68/79/04/564687904.db2.gz AIYLHIWBPIPMLH-JTQLQIEISA-N 1 0 381.723 2.723 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2ccccc2Br)C[C@H]1C ZINC000524872618 564689937 /nfs/dbraw/zinc/68/99/37/564689937.db2.gz OLOXKKISJBYDJZ-CHWSQXEVSA-N 1 0 375.332 2.942 20 0 GFADRO OC[C@]1([C@H]([NH2+]Cc2cc(Br)c3c(c2)OCCO3)C2CC2)CCCO1 ZINC000552425429 564690692 /nfs/dbraw/zinc/69/06/92/564690692.db2.gz ULYFQGBPDVFVOB-MSOLQXFVSA-N 1 0 398.297 2.630 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CN1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000575124027 564692901 /nfs/dbraw/zinc/69/29/01/564692901.db2.gz KXPHXAIWAMOCRS-QAPCUYQASA-N 1 0 396.329 2.524 20 0 GFADRO CCn1c(SCC(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)nnc1-c1cccs1 ZINC000525106363 564693211 /nfs/dbraw/zinc/69/32/11/564693211.db2.gz OMCLCBGIWYROKL-CHWSQXEVSA-N 1 0 379.555 2.718 20 0 GFADRO CN(CCOc1ccc(Br)cc1)C(=O)C[N@H+]1C[C@@H]2[C@H](C1)C2(C)C ZINC000525122692 564693244 /nfs/dbraw/zinc/69/32/44/564693244.db2.gz LJSNTKNGFVIVBH-IYBDPMFKSA-N 1 0 381.314 2.874 20 0 GFADRO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N1CCC[C@@H]1c1cccc(Br)c1 ZINC000552501941 564693414 /nfs/dbraw/zinc/69/34/14/564693414.db2.gz LAIVZXGBXWHZBC-XJKSGUPXSA-N 1 0 396.329 2.569 20 0 GFADRO CC(C)(C)NS(=O)(=O)CC[NH2+]C1CCN(Cc2ccccc2Cl)CC1 ZINC000552576137 564696086 /nfs/dbraw/zinc/69/60/86/564696086.db2.gz OXLBUZBKBSJMHL-UHFFFAOYSA-N 1 0 387.977 2.612 20 0 GFADRO COC[C@@H](C)OC[C@H](O)C[NH2+][C@H]1C[C@H](c2ccc(F)c(Br)c2)C1 ZINC000575743728 564702917 /nfs/dbraw/zinc/70/29/17/564702917.db2.gz ZEIWLWLJWDLHAF-NMFUWQPSSA-N 1 0 390.293 2.836 20 0 GFADRO C[C@@H]1CN(C(=O)N[C@H]2COc3c2ccc(Cl)c3Cl)C[C@H](C)[N@H+]1CCO ZINC000458466647 564702945 /nfs/dbraw/zinc/70/29/45/564702945.db2.gz OJOFRRQXJRFROG-WDMOLILDSA-N 1 0 388.295 2.523 20 0 GFADRO CCOC(=O)[C@@H](Cc1cc(Cl)cc(Cl)c1)NC(=O)CC[NH2+]C(C)C ZINC000575748787 564703199 /nfs/dbraw/zinc/70/31/99/564703199.db2.gz YFGHGAIETVMRAE-OAHLLOKOSA-N 1 0 375.296 2.972 20 0 GFADRO Cc1cc(CNC(=O)NC[C@]2([NH+](C)C)CCSC2)ccc1Br ZINC000458519540 564704443 /nfs/dbraw/zinc/70/44/43/564704443.db2.gz RSQMPSSMWBLBSS-MRXNPFEDSA-N 1 0 386.359 2.994 20 0 GFADRO C[NH+](C)CCN(Cc1ccsc1)C(=O)NCCOc1ncccc1Cl ZINC000458543427 564705280 /nfs/dbraw/zinc/70/52/80/564705280.db2.gz LVPAMIHXOCILQP-UHFFFAOYSA-N 1 0 382.917 2.949 20 0 GFADRO O=S(=O)(NCCC[NH+]1CCCC1)c1cc(Br)cc2cccnc21 ZINC000576181565 564706781 /nfs/dbraw/zinc/70/67/81/564706781.db2.gz VMCJKQHVTWAENM-UHFFFAOYSA-N 1 0 398.326 2.762 20 0 GFADRO CC[C@H](O)[C@H](CC)NC(=O)NCCc1cn2cc(Br)cc(C)c2n1 ZINC000458652382 564709929 /nfs/dbraw/zinc/70/99/29/564709929.db2.gz HUBSNOGANKUNGS-GJZGRUSLSA-N 1 0 397.317 2.796 20 0 GFADRO COc1cc(C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc(Br)c1OC ZINC000576269929 564710528 /nfs/dbraw/zinc/71/05/28/564710528.db2.gz BFQXEQPEUIFHTO-JKOKRWQUSA-N 1 0 383.286 2.666 20 0 GFADRO CCC[NH2+][C@H](C)C(=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000576275094 564710743 /nfs/dbraw/zinc/71/07/43/564710743.db2.gz PGUMEWOVXNZJRZ-LLVKDONJSA-N 1 0 378.826 2.791 20 0 GFADRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)Cn1cc(Br)cn1 ZINC000488489276 564712067 /nfs/dbraw/zinc/71/20/67/564712067.db2.gz AJHNCSOCDKENAW-WMLDXEAASA-N 1 0 391.313 2.672 20 0 GFADRO COc1cc(Br)ccc1CNC(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000488501928 564712709 /nfs/dbraw/zinc/71/27/09/564712709.db2.gz HHUWFSGFBRIWLC-IAQYHMDHSA-N 1 0 382.302 2.740 20 0 GFADRO COc1cc(Br)ccc1CNC(=O)NCC[N@H+]1CC=C(C)CC1 ZINC000488537535 564713788 /nfs/dbraw/zinc/71/37/88/564713788.db2.gz ZRJQHSFCBIVVEF-UHFFFAOYSA-N 1 0 382.302 2.909 20 0 GFADRO CC[NH+](CC)C[C@@H](C)NC(=O)N[C@H](CO)c1ccc(Br)c(F)c1 ZINC000488568469 564714659 /nfs/dbraw/zinc/71/46/59/564714659.db2.gz BBENCWSORCDCIW-IAQYHMDHSA-N 1 0 390.297 2.651 20 0 GFADRO COC[C@@H](C)C[NH+]1CCN(C(=O)COc2ccc(Cl)cc2Cl)CC1 ZINC000526062450 564718005 /nfs/dbraw/zinc/71/80/05/564718005.db2.gz ICWZFHRNRSELJM-ZDUSSCGKSA-N 1 0 375.296 2.799 20 0 GFADRO c1nc(-c2ccncc2)sc1C[NH2+]C[C@@]1(N2CCOCC2)CCSC1 ZINC000553379778 564718009 /nfs/dbraw/zinc/71/80/09/564718009.db2.gz XPMWWKSSJCBZSS-SFHVURJKSA-N 1 0 376.551 2.503 20 0 GFADRO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N[C@@H]1CCO[C@H]1c1cncc(Br)c1 ZINC000458796214 564718623 /nfs/dbraw/zinc/71/86/23/564718623.db2.gz WBKIRLKKMFUCQN-WQVCFCJDSA-N 1 0 399.333 2.702 20 0 GFADRO C[C@@H](NC(=O)NCc1nn(C)cc1Br)[C@H](c1ccccc1)[NH+](C)C ZINC000458789223 564718860 /nfs/dbraw/zinc/71/88/60/564718860.db2.gz YMPISIYKQPPYRR-MLGOLLRUSA-N 1 0 394.317 2.673 20 0 GFADRO C[C@@H]1[C@H](CO)CC[N@@H+]1CCCOc1cccc(I)c1 ZINC000488745926 564718982 /nfs/dbraw/zinc/71/89/82/564718982.db2.gz BNEHDJUBPDOXMH-OLZOCXBDSA-N 1 0 375.250 2.763 20 0 GFADRO CO[C@@H]1CCN(C(=O)c2cc(Cl)cc(Br)c2F)[C@@H](C[NH3+])C1 ZINC000576815888 564719771 /nfs/dbraw/zinc/71/97/71/564719771.db2.gz YVHINQCRTJEQJI-NXEZZACHSA-N 1 0 379.657 2.820 20 0 GFADRO C[C@@H](NS(=O)(=O)Cc1ccccc1Br)C(C)(C)C[NH+](C)C ZINC000553431287 564720820 /nfs/dbraw/zinc/72/08/20/564720820.db2.gz VUJANQUORFKXSF-GFCCVEGCSA-N 1 0 377.348 2.845 20 0 GFADRO O=S(=O)(Cc1ccccc1Br)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000553480463 564722161 /nfs/dbraw/zinc/72/21/61/564722161.db2.gz UGNVLZMYNJETTA-AWEZNQCLSA-N 1 0 387.343 2.885 20 0 GFADRO CCCC[N@H+](C)CCNC(=O)[C@@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000488869410 564722124 /nfs/dbraw/zinc/72/21/24/564722124.db2.gz WBBHKPBKQHFAMU-CQSZACIVSA-N 1 0 396.329 2.650 20 0 GFADRO O=C(NCCc1nccs1)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000526849726 564722223 /nfs/dbraw/zinc/72/22/23/564722223.db2.gz XZHOGDIDBZFOMO-UHFFFAOYSA-N 1 0 376.448 2.790 20 0 GFADRO CC[N@H+](C)C[C@H]1CCN(C(=O)NCc2nc(C)c(Br)s2)C1 ZINC000458922468 564723842 /nfs/dbraw/zinc/72/38/42/564723842.db2.gz HRUZRWASAOZXRP-LLVKDONJSA-N 1 0 375.336 2.697 20 0 GFADRO C[C@H](CC[NH+]1CCN(C)CC1)Nc1ccc(Br)c(C(F)(F)F)n1 ZINC000553524092 564724250 /nfs/dbraw/zinc/72/42/50/564724250.db2.gz XAURXETXGBKADG-LLVKDONJSA-N 1 0 395.267 3.301 20 0 GFADRO CCC[N@H+](CC)C[C@@H](C)NS(=O)(=O)c1ccc(OC)cc1Br ZINC000577106992 564725262 /nfs/dbraw/zinc/72/52/62/564725262.db2.gz LCUYZDCNZYLVCV-GFCCVEGCSA-N 1 0 393.347 2.856 20 0 GFADRO CC[NH+](CC)CCS(=O)(=O)NCc1c(C)cc(Br)cc1C ZINC000577107074 564725573 /nfs/dbraw/zinc/72/55/73/564725573.db2.gz MCMWZJCMQBUYIJ-UHFFFAOYSA-N 1 0 377.348 2.827 20 0 GFADRO CCS(=O)(=O)c1ccc(C[NH2+]Cc2ccc3c(c2)sc(=O)n3C)cc1 ZINC000526994233 564725655 /nfs/dbraw/zinc/72/56/55/564725655.db2.gz FZIAALONEYBCTK-UHFFFAOYSA-N 1 0 376.503 2.683 20 0 GFADRO COC(=O)CC1([NH2+]CCc2cc(Cl)ccc2Cl)CCS(=O)(=O)CC1 ZINC000488977898 564725898 /nfs/dbraw/zinc/72/58/98/564725898.db2.gz YYGLMUFURRZSFI-UHFFFAOYSA-N 1 0 394.320 2.636 20 0 GFADRO CCOC(=O)c1cc(Cl)cc(S(=O)(=O)NC[C@H]2CCC[N@H+](CC)C2)c1 ZINC000489214631 564732229 /nfs/dbraw/zinc/73/22/29/564732229.db2.gz DQKGQICEPFQXEU-CYBMUJFWSA-N 1 0 388.917 2.527 20 0 GFADRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)NCCc1cccc(Br)c1 ZINC000459149075 564732586 /nfs/dbraw/zinc/73/25/86/564732586.db2.gz LSPSMIPITMTUSB-KRWDZBQOSA-N 1 0 398.345 2.744 20 0 GFADRO C[C@H](C[NH2+]Cc1ccc(OC(F)(F)F)c(Br)c1)S(C)(=O)=O ZINC000527232445 564734100 /nfs/dbraw/zinc/73/41/00/564734100.db2.gz YITBBIGOMQBRKK-MRVPVSSYSA-N 1 0 390.221 2.870 20 0 GFADRO Cc1cc(CNC(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)ccc1Br ZINC000459172150 564734593 /nfs/dbraw/zinc/73/45/93/564734593.db2.gz IRRUWYGTXFLTAP-CQSZACIVSA-N 1 0 398.345 2.744 20 0 GFADRO CC(C)[N@@H+]1CCCN(C(=O)NCc2nc3c(cccc3Br)[nH]2)CC1 ZINC000459190999 564735410 /nfs/dbraw/zinc/73/54/10/564735410.db2.gz DQOUCYUTSQHXAK-UHFFFAOYSA-N 1 0 394.317 2.951 20 0 GFADRO C[C@@H](NC(=O)[C@@H](C)Sc1cc(Cl)ccc1Cl)C(=O)NCC[NH+](C)C ZINC000577520608 564736052 /nfs/dbraw/zinc/73/60/52/564736052.db2.gz BKKAMCLEDNKOHK-GHMZBOCLSA-N 1 0 392.352 2.657 20 0 GFADRO C[C@@H](C[NH+](C)C)NC(=O)c1nnn(-c2ccc(Br)cc2)c1C1CC1 ZINC000553790743 564736363 /nfs/dbraw/zinc/73/63/63/564736363.db2.gz FMSROPZEBCEOGQ-NSHDSACASA-N 1 0 392.301 2.587 20 0 GFADRO CC(C)N(CC[NH+](C)C)C(=O)NCc1nc2c(cccc2Br)[nH]1 ZINC000459220443 564736715 /nfs/dbraw/zinc/73/67/15/564736715.db2.gz SHWUOMHVMCHTLM-UHFFFAOYSA-N 1 0 382.306 2.807 20 0 GFADRO CC(C)[NH+]1CCN(C(=O)NCc2nc3c(cccc3Br)[nH]2)CC1 ZINC000459222353 564737446 /nfs/dbraw/zinc/73/74/46/564737446.db2.gz UYYRHYYFZUGCCT-UHFFFAOYSA-N 1 0 380.290 2.561 20 0 GFADRO CN(C[C@@H]1CCC[N@H+](C)C1)S(=O)(=O)c1cccc(OC(F)(F)F)c1F ZINC000489471086 564741024 /nfs/dbraw/zinc/74/10/24/564741024.db2.gz DHMITRHBVXVKQB-LLVKDONJSA-N 1 0 384.395 2.687 20 0 GFADRO C[NH+]1CCN(c2ccc(CNCc3cccc(O)c3Br)cn2)CC1 ZINC000459366310 564741672 /nfs/dbraw/zinc/74/16/72/564741672.db2.gz MQJCKPRXPKETJK-UHFFFAOYSA-N 1 0 391.313 2.591 20 0 GFADRO C[N@@H+]1CCC[C@H]2CN(S(=O)(=O)Cc3ccccc3Br)CC[C@H]21 ZINC000553872582 564742380 /nfs/dbraw/zinc/74/23/80/564742380.db2.gz YRJIIKGXOJTDEV-XJKSGUPXSA-N 1 0 387.343 2.695 20 0 GFADRO COC(=O)CC1([NH2+]CC(=O)N[C@@H](C)c2ccc(Br)cc2)CCC1 ZINC000459391138 564742384 /nfs/dbraw/zinc/74/23/84/564742384.db2.gz CCLMBIATJUTORO-LBPRGKRZSA-N 1 0 383.286 2.702 20 0 GFADRO COC(=O)C1(CS(=O)(=O)NCCC[NH+](C(C)C)C(C)C)CCCCC1 ZINC000489523045 564742734 /nfs/dbraw/zinc/74/27/34/564742734.db2.gz MTLZABDSVHHKNT-UHFFFAOYSA-N 1 0 376.563 2.538 20 0 GFADRO O=C(NCCC[NH2+]C1CCN(C2CC2)CC1)c1ccc(Br)cc1 ZINC000459408336 564743307 /nfs/dbraw/zinc/74/33/07/564743307.db2.gz LSYJYYKGPYGPIE-UHFFFAOYSA-N 1 0 380.330 2.785 20 0 GFADRO O[C@@H](C[NH2+]Cc1cnc(C2CC2)nc1)COc1ccccc1Br ZINC000459426161 564743878 /nfs/dbraw/zinc/74/38/78/564743878.db2.gz CZKLARSTBLXDCM-AWEZNQCLSA-N 1 0 378.270 2.646 20 0 GFADRO CC(C)[N@H+](C)C[C@@H](C)NC(=O)C(=O)Nc1cc(F)c(Br)c(F)c1 ZINC000578807353 564744274 /nfs/dbraw/zinc/74/42/74/564744274.db2.gz LXLLOQZNBXZLDZ-SECBINFHSA-N 1 0 392.244 2.511 20 0 GFADRO CN(C)CC[N@H+](C)CCCN(C)C(=O)Nc1ccc(F)c(Br)c1 ZINC000459438880 564744907 /nfs/dbraw/zinc/74/49/07/564744907.db2.gz SIHURRNJUWSXPI-UHFFFAOYSA-N 1 0 389.313 2.935 20 0 GFADRO CCOc1cc(C[NH2+][C@H](C)[C@H](C)N2CCOCC2)cc(Br)c1O ZINC000459435949 564745003 /nfs/dbraw/zinc/74/50/03/564745003.db2.gz WDUAYLUUWYYJND-OLZOCXBDSA-N 1 0 387.318 2.752 20 0 GFADRO CC(C)[C@](C)([NH2+]Cc1ccc(I)c(Cl)c1)C(N)=O ZINC000459475749 564745686 /nfs/dbraw/zinc/74/56/86/564745686.db2.gz GEGNAQSLJVYOST-ZDUSSCGKSA-N 1 0 380.657 2.934 20 0 GFADRO CC[N@H+]1C[C@@H](C)N(C[C@@H](O)COc2cc(F)cc(Br)c2)[C@@H](C)C1 ZINC000459466760 564746054 /nfs/dbraw/zinc/74/60/54/564746054.db2.gz RECIZWHGCZJDMO-DVOMOZLQSA-N 1 0 389.309 2.742 20 0 GFADRO CO[C@H]1CCN(C(=O)c2cc3sc(N4CCCC4)nc3s2)[C@H](C[NH3+])C1 ZINC000579343001 564747109 /nfs/dbraw/zinc/74/71/09/564747109.db2.gz DHJYYEOWAZTJSW-RYUDHWBXSA-N 1 0 380.539 2.536 20 0 GFADRO CS(=O)(=O)c1ccc(CNC2CC[NH+](C3CC3)CC2)cc1C(F)(F)F ZINC000459503417 564747841 /nfs/dbraw/zinc/74/78/41/564747841.db2.gz FKOULZQBQOQMTI-UHFFFAOYSA-N 1 0 376.444 2.825 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)N1CCc2ccc(F)c(Br)c2C1 ZINC000527594139 564748132 /nfs/dbraw/zinc/74/81/32/564748132.db2.gz MCWBFZIFRQCPNB-GFCCVEGCSA-N 1 0 382.277 2.893 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)CCOc2cccc(Cl)c2Cl)CC12CCOCC2 ZINC000579475436 564748307 /nfs/dbraw/zinc/74/83/07/564748307.db2.gz UWTXDNWFTKZRDE-CYBMUJFWSA-N 1 0 387.307 2.976 20 0 GFADRO O=S1(=O)CCC[C@@H](C[NH2+][C@H]2CCc3c2c(Br)ccc3F)C1 ZINC000554092987 564750328 /nfs/dbraw/zinc/75/03/28/564750328.db2.gz SDQGTIVKOSCSFO-HZMBPMFUSA-N 1 0 376.291 2.990 20 0 GFADRO O=C1CN(Cc2cccc(NCc3cccc(O)c3Br)c2)CCN1 ZINC000459556147 564750567 /nfs/dbraw/zinc/75/05/67/564750567.db2.gz JNRUNUVCKZCAPO-UHFFFAOYSA-N 1 0 390.281 2.699 20 0 GFADRO Cc1[nH]c(=O)c(Br)cc1C(=O)N1CC[N@@H+]([C@@H]2C[C@@H]2C)C[C@@H](C)C1 ZINC000554129077 564751169 /nfs/dbraw/zinc/75/11/69/564751169.db2.gz YTHSLYFGJHTAFT-JRPNMDOOSA-N 1 0 382.302 2.660 20 0 GFADRO CON1CCC([N@H+](C)CC(=O)N[C@@H](C)c2ccc(Br)cc2)CC1 ZINC000459574651 564751313 /nfs/dbraw/zinc/75/13/13/564751313.db2.gz DNFHUEQUJUQFOK-ZDUSSCGKSA-N 1 0 384.318 2.584 20 0 GFADRO CC(C)(C)OC(=O)[C@]1(C)CCN(CC(=O)Nc2ccc(Br)cn2)C1 ZINC000459580068 564751617 /nfs/dbraw/zinc/75/16/17/564751617.db2.gz JQUHYVBQTKCKGQ-QGZVFWFLSA-N 1 0 398.301 2.836 20 0 GFADRO COC(=O)CCCN1CCC([NH2+]CCc2cccc(Br)c2)CC1 ZINC000459644921 564754836 /nfs/dbraw/zinc/75/48/36/564754836.db2.gz PXKVQJNPXCZCFN-UHFFFAOYSA-N 1 0 383.330 2.999 20 0 GFADRO CCOC(=O)c1sc(NC(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)nc1C ZINC000580293049 564755548 /nfs/dbraw/zinc/75/55/48/564755548.db2.gz NUNTUVRIBUHHKW-CYBMUJFWSA-N 1 0 383.539 2.784 20 0 GFADRO CS(=O)(=O)C1(C[NH2+]Cc2c[nH]nc2-c2ccc(Br)s2)CC1 ZINC000527702972 564756272 /nfs/dbraw/zinc/75/62/72/564756272.db2.gz ZQSRJZHXFWRXSK-UHFFFAOYSA-N 1 0 390.328 2.568 20 0 GFADRO Cc1cc(Br)c(CNC[C@]2(O)CC[N@@H+](C)C2)cc1Br ZINC000527694111 564756368 /nfs/dbraw/zinc/75/63/68/564756368.db2.gz UWUJGGDHNFWXIO-CQSZACIVSA-N 1 0 392.135 2.676 20 0 GFADRO OC[C@@H](C[NH2+]Cc1c[nH]nc1-c1ccc(Br)s1)[C@H]1CCOC1 ZINC000527700920 564756522 /nfs/dbraw/zinc/75/65/22/564756522.db2.gz LNMBUPJWCHLZNW-CMPLNLGQSA-N 1 0 386.315 2.635 20 0 GFADRO O=S(=O)(Cc1cc(Cl)ccc1Br)NCC[C@H]1CCC[NH2+]1 ZINC000580431539 564758108 /nfs/dbraw/zinc/75/81/08/564758108.db2.gz QHOYEKRFABWDES-GFCCVEGCSA-N 1 0 381.723 2.664 20 0 GFADRO COC[C@H](NC[C@@H]1CCCCN1S(C)(=O)=O)c1cccc(Cl)c1F ZINC000554376440 564758488 /nfs/dbraw/zinc/75/84/88/564758488.db2.gz PROLDTOKSYSGHW-WFASDCNBSA-N 1 0 378.897 2.570 20 0 GFADRO NC(=O)c1cccc(C[NH2+]C[C@@H](CO)Cc2cc(F)cc(Br)c2)c1 ZINC000459714523 564758741 /nfs/dbraw/zinc/75/87/41/564758741.db2.gz XRWFOGFLKOZXHD-AWEZNQCLSA-N 1 0 395.272 2.628 20 0 GFADRO C[C@H](CCc1ccc(I)cc1)[NH2+][C@H](CO)c1ccnn1C ZINC000459725783 564758959 /nfs/dbraw/zinc/75/89/59/564758959.db2.gz XJUKZXUISYBNLD-IUODEOHRSA-N 1 0 399.276 2.669 20 0 GFADRO OCC1([NH2+]CC2CC2)CCN(CCOc2ccccc2Br)CC1 ZINC000580452686 564759386 /nfs/dbraw/zinc/75/93/86/564759386.db2.gz DANRTZOMFNRZBU-UHFFFAOYSA-N 1 0 383.330 2.654 20 0 GFADRO CN1C2(CCC2)COC[C@@]1(CO)C[NH2+]Cc1csc(-c2cccs2)n1 ZINC000527751502 564759827 /nfs/dbraw/zinc/75/98/27/564759827.db2.gz CHDPPEKSZLSZBY-SFHVURJKSA-N 1 0 379.551 2.577 20 0 GFADRO CN(C)S(=O)(=O)c1cc(NC(=O)C[N@H+](C)C2CC(C)(C)C2)ccc1Cl ZINC000459737048 564759903 /nfs/dbraw/zinc/75/99/03/564759903.db2.gz GVLZKTTXTARTCO-UHFFFAOYSA-N 1 0 387.933 2.649 20 0 GFADRO O[C@H](COc1cccc(Br)c1)C[N@@H+]1CC2(CCC2)[C@H]2COC[C@H]21 ZINC000459744712 564759961 /nfs/dbraw/zinc/75/99/61/564759961.db2.gz ZXLWAEMKUPZUNF-BHYGNILZSA-N 1 0 382.298 2.690 20 0 GFADRO COc1cc(C[NH2+]CC(C)(C)C(=O)N2CCCC2)cc(Br)c1O ZINC000527812291 564762710 /nfs/dbraw/zinc/76/27/10/564762710.db2.gz VBGFDZAXLMCXBZ-UHFFFAOYSA-N 1 0 385.302 2.902 20 0 GFADRO C[C@H]([NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1)c1cc(F)c(Br)cc1F ZINC000527874179 564763534 /nfs/dbraw/zinc/76/35/34/564763534.db2.gz BHUJCQCLSFNYDM-UWVGGRQHSA-N 1 0 397.285 2.659 20 0 GFADRO Cc1c([C@H](C)[NH2+]C[C@@H](O)[C@@H]2CCCO2)nnn1-c1cccc(Br)c1 ZINC000527950007 564765217 /nfs/dbraw/zinc/76/52/17/564765217.db2.gz CUUZOHCVBIKUCT-XZJROXQQSA-N 1 0 395.301 2.529 20 0 GFADRO C[C@H]([NH2+]C[C@@]1(CO)COCC2(CCC2)N1C)c1ccc(Br)cc1 ZINC000527945084 564765228 /nfs/dbraw/zinc/76/52/28/564765228.db2.gz FOPMFBRRGZMVRX-KBXCAEBGSA-N 1 0 383.330 2.716 20 0 GFADRO C[C@H]([NH2+]C[C@@]1(CO)COCC2(CCC2)N1C)c1sccc1Br ZINC000527945832 564765443 /nfs/dbraw/zinc/76/54/43/564765443.db2.gz FSMUEXQIRCUUIU-BLLLJJGKSA-N 1 0 389.359 2.777 20 0 GFADRO C[NH+](C)[C@@H]1CCOc2c(NC(=O)Cn3cc(Br)cn3)cccc21 ZINC000580610230 564766883 /nfs/dbraw/zinc/76/68/83/564766883.db2.gz SWDHEVHOAMQQJM-CQSZACIVSA-N 1 0 379.258 2.670 20 0 GFADRO CC(C)[N@@H+]1CCCN(C(=O)C(=O)N(C)Cc2c(Cl)cccc2Cl)CC1 ZINC000460084860 564769837 /nfs/dbraw/zinc/76/98/37/564769837.db2.gz WHZGYMZZQHRHIE-UHFFFAOYSA-N 1 0 386.323 2.895 20 0 GFADRO CC[NH+]1CCN(c2ccc(-c3noc([C@@H]4C[C@@]4(C)Br)n3)cn2)CC1 ZINC000528123458 564770655 /nfs/dbraw/zinc/77/06/55/564770655.db2.gz BFDUGPOWTBNMHV-SUMWQHHRSA-N 1 0 392.301 2.914 20 0 GFADRO CC(=O)NCC[N@@H+](Cc1ccc(Br)s1)C[C@H](O)C(C)(C)C ZINC000554741026 564771935 /nfs/dbraw/zinc/77/19/35/564771935.db2.gz GHFKMDFCVJNJHH-ZDUSSCGKSA-N 1 0 377.348 2.856 20 0 GFADRO CC[C@H](CSC)N(C)C(=O)C(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000554743890 564771957 /nfs/dbraw/zinc/77/19/57/564771957.db2.gz SNJOUXTZGSXNCE-HZPDHXFCSA-N 1 0 385.961 2.659 20 0 GFADRO C[N@@H+]1CC[C@]2(CCN(S(=O)(=O)c3cc(Br)sc3Cl)C2)C1 ZINC000490507716 564773978 /nfs/dbraw/zinc/77/39/78/564773978.db2.gz NXHMGLVSOKWEAC-LBPRGKRZSA-N 1 0 399.763 2.880 20 0 GFADRO COC1(C[NH2+]Cc2nnc(-c3ccc(Br)cc3)[n-]2)CCOCC1 ZINC000580827252 564775692 /nfs/dbraw/zinc/77/56/92/564775692.db2.gz BFHFDMFYJGLCIQ-UHFFFAOYSA-N 1 0 381.274 2.519 20 0 GFADRO CN(Cc1cc(Br)cn1C)C(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000528287192 564776318 /nfs/dbraw/zinc/77/63/18/564776318.db2.gz IEEBCAGFQWZPRK-HNNXBMFYSA-N 1 0 383.334 2.946 20 0 GFADRO C[C@@H]1[C@H]([N@H+](C)CCO)CCN1S(=O)(=O)c1c(Cl)ccc2ccccc21 ZINC000490602947 564778581 /nfs/dbraw/zinc/77/85/81/564778581.db2.gz PMZCYBVAHZLARM-CXAGYDPISA-N 1 0 382.913 2.569 20 0 GFADRO O=C(C[C@H]1C[NH2+]CCO1)Nc1nc(-c2ccccc2)c(Br)s1 ZINC000580950293 564781025 /nfs/dbraw/zinc/78/10/25/564781025.db2.gz LHWGPWYFEMMHNF-NSHDSACASA-N 1 0 382.283 2.890 20 0 GFADRO C[C@H](CNC(=O)C[N@H+](C)[C@@H]1CCSC1)Oc1ccc(Br)cc1 ZINC000491060025 564785487 /nfs/dbraw/zinc/78/54/87/564785487.db2.gz VBFREVASVQDUNE-TZMCWYRMSA-N 1 0 387.343 2.770 20 0 GFADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)[C@H]1C[C@@]12CCOC2 ZINC000460983520 564787350 /nfs/dbraw/zinc/78/73/50/564787350.db2.gz SVDZCDVYVFYTGD-SJLPKXTDSA-N 1 0 381.314 2.766 20 0 GFADRO O=C(NCCC[NH+]1CCCC1)N[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000491208472 564788795 /nfs/dbraw/zinc/78/87/95/564788795.db2.gz RCROIUQOBTYKMH-INIZCTEOSA-N 1 0 395.345 2.813 20 0 GFADRO COC[C@H](C)OC[C@H](O)C[NH2+][C@H]1CSc2ccc(Br)cc21 ZINC000581247243 564794009 /nfs/dbraw/zinc/79/40/09/564794009.db2.gz RKRMKOULFXUFIY-SUHUHFCYSA-N 1 0 376.316 2.598 20 0 GFADRO C[N@H+](CCNC(=O)N1CCO[C@@H](c2cccc(Br)c2)C1)C1CC1 ZINC000491837898 564795090 /nfs/dbraw/zinc/79/50/90/564795090.db2.gz OIEDZZUYNCFCPN-MRXNPFEDSA-N 1 0 382.302 2.626 20 0 GFADRO OCC[C@H]([NH2+]CC1=Cc2cc(Br)ccc2OC1)C1CCOCC1 ZINC000461409400 564795810 /nfs/dbraw/zinc/79/58/10/564795810.db2.gz XAHDKSXDAFHLFY-KRWDZBQOSA-N 1 0 382.298 2.992 20 0 GFADRO Cc1cccc(CC(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)c1Br ZINC000528583702 564796810 /nfs/dbraw/zinc/79/68/10/564796810.db2.gz RUKZNWONWZIPLQ-QGZVFWFLSA-N 1 0 394.357 2.538 20 0 GFADRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)c3cn(-c4ccc(Br)cc4)cn3)C[C@H]21 ZINC000581305160 564796939 /nfs/dbraw/zinc/79/69/39/564796939.db2.gz RYWSSBGLXRMWNN-APHBMKBZSA-N 1 0 389.297 2.834 20 0 GFADRO CCO[C@@H]1C[C@H]([NH2+]Cc2cccc(I)c2)[C@@H]1n1cccn1 ZINC000555648329 564800638 /nfs/dbraw/zinc/80/06/38/564800638.db2.gz YEWRMYPLVSQRQU-XHSDSOJGSA-N 1 0 397.260 2.996 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)C(=O)N1CCC[C@H]1c1cccs1)c1cccs1 ZINC000555681108 564801128 /nfs/dbraw/zinc/80/11/28/564801128.db2.gz DYBVECIULRYUHJ-KBPBESRZSA-N 1 0 377.535 2.892 20 0 GFADRO CCSc1cccc(C[NH2+]Cc2cnn([C@@]3(C)CCS(=O)(=O)C3)c2)c1 ZINC000492434339 564801218 /nfs/dbraw/zinc/80/12/18/564801218.db2.gz BXYJIYPLUYNSCB-SFHVURJKSA-N 1 0 379.551 2.819 20 0 GFADRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000581419132 564801783 /nfs/dbraw/zinc/80/17/83/564801783.db2.gz GZRLHSCOEBCYFI-DAXOMENPSA-N 1 0 382.302 2.530 20 0 GFADRO Cc1cc(COc2ccc(C(=O)NCC3([NH3+])CCC3)cc2Br)no1 ZINC000581427657 564802164 /nfs/dbraw/zinc/80/21/64/564802164.db2.gz CUOKECVKCUVBKC-UHFFFAOYSA-N 1 0 394.269 2.936 20 0 GFADRO C[C@@]1(C[C@@H]2CCC[N@@H+]2Cc2cc(F)cc(Br)c2)NC(=O)NC1=O ZINC000581436588 564802345 /nfs/dbraw/zinc/80/23/45/564802345.db2.gz VQUNJAXHJHWBBC-BBRMVZONSA-N 1 0 384.249 2.541 20 0 GFADRO C[C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)N1C[C@](C)(CO)[C@](C)(CO)C1 ZINC000528753239 564803578 /nfs/dbraw/zinc/80/35/78/564803578.db2.gz VPMWTJXXPXHRTG-LQAWEQHXSA-N 1 0 375.296 2.633 20 0 GFADRO CC(C)[C@H](C[NH2+]Cc1cn2ccc(Br)cc2n1)N1CCOCC1 ZINC000581458980 564803728 /nfs/dbraw/zinc/80/37/28/564803728.db2.gz VKPUMSNSOZCUNA-INIZCTEOSA-N 1 0 381.318 2.543 20 0 GFADRO CN1CCN(c2cc[nH+]cc2NC(=O)Cc2cscc2Br)CC1 ZINC000555780290 564804368 /nfs/dbraw/zinc/80/43/68/564804368.db2.gz QKDXZFDRZKNWNE-UHFFFAOYSA-N 1 0 395.326 2.839 20 0 GFADRO C[N@H+](CCNC(=O)[C@H](c1ccc(Cl)cc1Cl)N1CCOCC1)C1CC1 ZINC000461995197 564810913 /nfs/dbraw/zinc/81/09/13/564810913.db2.gz ZQGNYHUTBGRJQG-KRWDZBQOSA-N 1 0 386.323 2.577 20 0 GFADRO CN(C)[C@@H](C[NH2+][C@H]1CCCc2cc(S(N)(=O)=O)ccc21)c1ccsc1 ZINC000556049276 564811266 /nfs/dbraw/zinc/81/12/66/564811266.db2.gz UGYFMIYRVRUUME-ROUUACIJSA-N 1 0 379.551 2.665 20 0 GFADRO CN(C)[C@H](C[NH2+][C@@H]1CCCc2cc(S(N)(=O)=O)ccc21)c1ccsc1 ZINC000556049275 564811401 /nfs/dbraw/zinc/81/14/01/564811401.db2.gz UGYFMIYRVRUUME-QZTJIDSGSA-N 1 0 379.551 2.665 20 0 GFADRO CCc1sc(C(=O)NC[C@@H](C)N2CC[NH+](CC)CC2)cc1Br ZINC000556127407 564813281 /nfs/dbraw/zinc/81/32/81/564813281.db2.gz GWKMAZXEOUDTTQ-GFCCVEGCSA-N 1 0 388.375 2.829 20 0 GFADRO CN1CCN(C(=O)Nc2ccc(Br)c(Cl)c2Cl)[C@H](C[NH3+])C1 ZINC000581714242 564815694 /nfs/dbraw/zinc/81/56/94/564815694.db2.gz PAPUXWIRUSGHMK-MRVPVSSYSA-N 1 0 396.116 2.863 20 0 GFADRO C[C@@H]([NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1)c1cc[nH]c(=O)c1 ZINC000581721806 564816165 /nfs/dbraw/zinc/81/61/65/564816165.db2.gz QOLZVAQKUKPWPK-QMTHXVAHSA-N 1 0 385.233 2.779 20 0 GFADRO O=C([C@H]1C[N@@H+]2CCN1CCC2)N1CCC(Sc2ccc(Cl)cc2)CC1 ZINC000494103495 564817052 /nfs/dbraw/zinc/81/70/52/564817052.db2.gz RHOGHGBLNNWPAN-GOSISDBHSA-N 1 0 379.957 2.813 20 0 GFADRO C[C@H]([NH2+][C@]1(C)CCO[C@@H]1C)C(=O)Nc1ccc(I)cc1 ZINC000494214518 564819062 /nfs/dbraw/zinc/81/90/62/564819062.db2.gz AYMUYJVZBIDVGH-FIXISWKDSA-N 1 0 388.249 2.775 20 0 GFADRO CN(CC(=O)NC1CC[NH+](C2CC2)CC1)Cc1ccc(Br)c(F)c1 ZINC000494242216 564820277 /nfs/dbraw/zinc/82/02/77/564820277.db2.gz QUPSFOTYGPXXAJ-UHFFFAOYSA-N 1 0 398.320 2.763 20 0 GFADRO O=C(CC1CC[NH2+]CC1)N1CCN(Cc2cc(Br)ccc2F)CC1 ZINC000581882656 564821455 /nfs/dbraw/zinc/82/14/55/564821455.db2.gz INLMGSZJLMLUDQ-UHFFFAOYSA-N 1 0 398.320 2.622 20 0 GFADRO COc1cc(Br)c(F)cc1S(=O)(=O)N[C@H](C)C[N@H+](C)C(C)C ZINC000581913003 564822584 /nfs/dbraw/zinc/82/25/84/564822584.db2.gz LODBIWJCGDLLNB-SNVBAGLBSA-N 1 0 397.310 2.604 20 0 GFADRO CNS(=O)(=O)c1cccc2c1CCN(CCc1ccc(F)cc1Cl)C2 ZINC000581995949 564825517 /nfs/dbraw/zinc/82/55/17/564825517.db2.gz MWIAEGWLECXNJT-UHFFFAOYSA-N 1 0 382.888 2.988 20 0 GFADRO O=C(N[C@@H]1CCN(c2cccc(Br)c2)C1)N1CC[NH+]2CCC1CC2 ZINC000556447055 564826116 /nfs/dbraw/zinc/82/61/16/564826116.db2.gz WYMNZXVYNPEXOB-OAHLLOKOSA-N 1 0 393.329 2.517 20 0 GFADRO COc1cc(CNC(=O)N[C@H]2CC[NH2+]C23CCC3)cc(Br)c1OC ZINC000529297994 564828026 /nfs/dbraw/zinc/82/80/26/564828026.db2.gz BSFBDHJMWZLSST-AWEZNQCLSA-N 1 0 398.301 2.550 20 0 GFADRO COCC[C@H]([NH2+]CC(=O)NC1CCOCC1)c1ccc(Cl)c(Cl)c1 ZINC000556518116 564829125 /nfs/dbraw/zinc/82/91/25/564829125.db2.gz HNQHWLRAYBHAGO-INIZCTEOSA-N 1 0 375.296 2.956 20 0 GFADRO O=C(Cc1ccc(I)cc1)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000582061324 564829455 /nfs/dbraw/zinc/82/94/55/564829455.db2.gz LDXYYJNFTMOHGG-HUUCEWRRSA-N 1 0 398.288 2.682 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CN(C(=O)N[C@@H](C)c2cc(F)c(Br)cc2F)CCO1 ZINC000529347462 564830641 /nfs/dbraw/zinc/83/06/41/564830641.db2.gz DMAXAKXLECMQSZ-ITMYJUKJSA-N 1 0 392.244 2.546 20 0 GFADRO C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]Cc1cc(C(F)(F)F)cc(S(C)(=O)=O)c1 ZINC000556575199 564830768 /nfs/dbraw/zinc/83/07/68/564830768.db2.gz ZEFCYFULSIXXBI-BZNIZROVSA-N 1 0 376.444 2.681 20 0 GFADRO CNC(=O)c1cccc(NC(=O)NC2CC[NH+](C3CC3)CC2)c1Br ZINC000494474403 564831093 /nfs/dbraw/zinc/83/10/93/564831093.db2.gz OWOGWQKQYDMPQT-UHFFFAOYSA-N 1 0 395.301 2.557 20 0 GFADRO O[C@@H](COc1ccc(Cl)cc1Br)C[N@@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000582120231 564831591 /nfs/dbraw/zinc/83/15/91/564831591.db2.gz KYXCTUGGEOGVKH-KYOSRNDESA-N 1 0 390.705 2.953 20 0 GFADRO CC[C@H]1CN(CC[NH2+][C@H](C)CC(=O)Nc2cccc(Br)c2)CCO1 ZINC000494511765 564832552 /nfs/dbraw/zinc/83/25/52/564832552.db2.gz ITHOPFDMSWCGRM-PBHICJAKSA-N 1 0 398.345 2.867 20 0 GFADRO CN1CC[C@H](CNS(=O)(=O)c2ccccn2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000582137509 564832508 /nfs/dbraw/zinc/83/25/08/564832508.db2.gz SSLNYDKBNDEQPH-CXAGYDPISA-N 1 0 383.876 2.845 20 0 GFADRO COc1c(O)cccc1C[NH2+]CCNC(=O)c1cccc(Br)c1 ZINC000494584776 564834519 /nfs/dbraw/zinc/83/45/19/564834519.db2.gz IQVULCGIDXTCAO-UHFFFAOYSA-N 1 0 379.254 2.683 20 0 GFADRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)[C@@H]3C[C@H]3c3csc(Br)c3)[C@H]2C1 ZINC000529424832 564834781 /nfs/dbraw/zinc/83/47/81/564834781.db2.gz JWZHRTUXZMDHSK-LJISPDSOSA-N 1 0 399.354 2.936 20 0 GFADRO O=C(Nc1ccc(Cl)c(Cl)c1)C1CCN(C(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000582192403 564834985 /nfs/dbraw/zinc/83/49/85/564834985.db2.gz IRBFWCFSXXQLAO-ZDUSSCGKSA-N 1 0 385.295 2.715 20 0 GFADRO O=C(CC[C@H]1CCC[NH2+]1)NC[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000494671140 564836478 /nfs/dbraw/zinc/83/64/78/564836478.db2.gz VEHKIIKYFNAHRF-GDBMZVCRSA-N 1 0 380.330 2.924 20 0 GFADRO CCC[C@@H](OCC)C(=O)Nc1cc(N2CCOCC2)c(Br)cn1 ZINC000529474054 564836894 /nfs/dbraw/zinc/83/68/94/564836894.db2.gz UAULCXAFYMAPSD-CQSZACIVSA-N 1 0 386.290 2.824 20 0 GFADRO O=C(NC[C@@]1(O)C[NH+]2CCC1CC2)c1csc(-c2ccc(Cl)s2)n1 ZINC000556852025 564844112 /nfs/dbraw/zinc/84/41/12/564844112.db2.gz ZQQKDFYJWNDXFE-MRXNPFEDSA-N 1 0 383.926 2.712 20 0 GFADRO Cc1c(S(=O)(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)cnn1-c1ccc(Cl)cc1 ZINC000462502517 564844269 /nfs/dbraw/zinc/84/42/69/564844269.db2.gz NRBHWGHDFFZGAW-DOMZBBRYSA-N 1 0 382.917 2.595 20 0 GFADRO CSC1(CNC(=O)NC[C@H](CO)c2ccccc2Cl)CC[NH+](C)CC1 ZINC000462512385 564845239 /nfs/dbraw/zinc/84/52/39/564845239.db2.gz SAZYAAPYMUNUSN-CQSZACIVSA-N 1 0 385.961 2.543 20 0 GFADRO CO[C@H]1CCN(C(=O)c2cc(C)c(Br)c(Cl)c2)[C@H](C[NH3+])C1 ZINC000582415091 564845351 /nfs/dbraw/zinc/84/53/51/564845351.db2.gz YHMXVGDPBAYMEI-RYUDHWBXSA-N 1 0 375.694 2.989 20 0 GFADRO CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+][C@H]2CCN(c3ccc(Cl)cc3F)C2=O)C1 ZINC000529666203 564845511 /nfs/dbraw/zinc/84/55/11/564845511.db2.gz RSGQPTHYQMSCKB-GUTXKFCHSA-N 1 0 388.892 2.530 20 0 GFADRO CC1([NH+]2CCOCC2)CCN(Cc2cn3ccc(Br)cc3n2)CC1 ZINC000529661754 564845669 /nfs/dbraw/zinc/84/56/69/564845669.db2.gz CEERCVWQTAXIKY-UHFFFAOYSA-N 1 0 393.329 2.784 20 0 GFADRO Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000495111472 564848853 /nfs/dbraw/zinc/84/88/53/564848853.db2.gz MCUHYUAQNWAJMR-JYAVWHMHSA-N 1 0 375.881 2.910 20 0 GFADRO O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)[C@@H](Oc1cccc(Br)c1)c1ccccc1 ZINC000495105896 564848875 /nfs/dbraw/zinc/84/88/75/564848875.db2.gz ULEREIAZXRXDFQ-MLHJIOFPSA-N 1 0 387.277 2.903 20 0 GFADRO O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccccc1Sc1ccc(Br)cn1 ZINC000495149564 564850062 /nfs/dbraw/zinc/85/00/62/564850062.db2.gz XWCZPWCGDXJMGC-VIKVFOODSA-N 1 0 390.306 2.943 20 0 GFADRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)Cc1ccc(I)cc1 ZINC000557117056 564855049 /nfs/dbraw/zinc/85/50/49/564855049.db2.gz VZUMOJOIPFKGCY-XJKSGUPXSA-N 1 0 398.288 2.919 20 0 GFADRO C[C@H](NC(=O)NC[C@@H]1CCC[NH2+]C1)c1cc2c(cc1Br)OCCO2 ZINC000557121350 564855115 /nfs/dbraw/zinc/85/51/15/564855115.db2.gz ZTBKJRFGQYIHEE-NWDGAFQWSA-N 1 0 398.301 2.580 20 0 GFADRO CS[C@@H]1CN(C(=O)Cc2c[nH]c3cccc(Br)c23)C[C@@H]1[NH+](C)C ZINC000495657776 564855826 /nfs/dbraw/zinc/85/58/26/564855826.db2.gz VFXPAGUINMROSY-LSDHHAIUSA-N 1 0 396.354 2.977 20 0 GFADRO O=C1[C@@H]([NH2+]C[C@@H](O)COCc2cccs2)CCN1c1cccc(Cl)c1 ZINC000582720871 564858761 /nfs/dbraw/zinc/85/87/61/564858761.db2.gz KNVWHFMJEVYPRM-WBVHZDCISA-N 1 0 380.897 2.674 20 0 GFADRO CC[C@H]1CN(Cc2cc(Br)cc3c2OCC3)CC[N@@H+]1C[C@@H](C)O ZINC000462792975 564859014 /nfs/dbraw/zinc/85/90/14/564859014.db2.gz YPTQXZBPZWLMFK-DYVFJYSZSA-N 1 0 383.330 2.661 20 0 GFADRO C[C@@H](Cn1cc(Br)cn1)Nc1cccc(C[N@@H+]2CC[C@@H](O)C2)c1 ZINC000462852115 564860624 /nfs/dbraw/zinc/86/06/24/564860624.db2.gz FLXSFELWWWVWNN-SUMWQHHRSA-N 1 0 379.302 2.713 20 0 GFADRO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N(C)Cc1ccc(Br)cc1C ZINC000557380547 564861834 /nfs/dbraw/zinc/86/18/34/564861834.db2.gz BGFMCGSKWSDVRQ-AWEZNQCLSA-N 1 0 398.345 2.562 20 0 GFADRO O=C(N[C@@H]1C[C@H]1C1CC[NH2+]CC1)c1[nH]nc(-c2ccccc2)c1Br ZINC000462885564 564862156 /nfs/dbraw/zinc/86/21/56/564862156.db2.gz CBEIUJCGTVEDOD-UONOGXRCSA-N 1 0 389.297 2.957 20 0 GFADRO C[C@H](Cc1ccncc1)[NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000582840567 564864164 /nfs/dbraw/zinc/86/41/64/564864164.db2.gz BLNQTIMFTXGTSH-MLGOLLRUSA-N 1 0 383.261 2.944 20 0 GFADRO NC(=O)[C@H](NC[C@H]1CC[N@@H+]1C1CCCCC1)c1ccc(Br)cc1 ZINC000530129126 564865287 /nfs/dbraw/zinc/86/52/87/564865287.db2.gz FFMIMEDZZMQQLX-IAGOWNOFSA-N 1 0 380.330 2.972 20 0 GFADRO Cn1cc(Br)cc1-c1nnc(N2CC[N@@H+]3CCC[C@H]3C2)n1C1CC1 ZINC000582911568 564867928 /nfs/dbraw/zinc/86/79/28/564867928.db2.gz WHHUSFBJICZLRK-AWEZNQCLSA-N 1 0 391.317 2.665 20 0 GFADRO CC[NH+]1CCN(CC(=O)NCCSCc2ccc(Cl)cc2Cl)CC1 ZINC000557593843 564869569 /nfs/dbraw/zinc/86/95/69/564869569.db2.gz AXPUQTJFCAEFCO-UHFFFAOYSA-N 1 0 390.380 2.980 20 0 GFADRO Cc1ccc(Cl)c(S(=O)(=O)N2CCC(CC[NH+]3CCOCC3)CC2)c1 ZINC000497534927 564869974 /nfs/dbraw/zinc/86/99/74/564869974.db2.gz TZFLSWQGRJHLDA-UHFFFAOYSA-N 1 0 386.945 2.771 20 0 GFADRO CC(C)CN(CC[NH+](C)C)C(=O)C(=O)NCCc1cc(Cl)cc(Cl)c1 ZINC000582980660 564870852 /nfs/dbraw/zinc/87/08/52/564870852.db2.gz AYDTXWIVHSQKHJ-UHFFFAOYSA-N 1 0 388.339 2.698 20 0 GFADRO CS(=O)(=O)NCC[N@H+](CC/C=C\c1ccc(Br)cc1)C1CC1 ZINC000463204914 564871727 /nfs/dbraw/zinc/87/17/27/564871727.db2.gz UARMJBPVIIMXEQ-RQOWECAXSA-N 1 0 387.343 2.866 20 0 GFADRO CS(=O)(=O)c1ccc([C@H](O)C[NH2+][C@@H]2[C@H]3Cc4c(cccc4Cl)[C@@H]23)cc1 ZINC000530243905 564873247 /nfs/dbraw/zinc/87/32/47/564873247.db2.gz LZWAHGBKBOTJAG-JCHJZTRSSA-N 1 0 377.893 2.705 20 0 GFADRO Cc1cc(NC(=O)N[C@H](CO)c2ccc(Br)c(F)c2)c(C)cn1 ZINC000583067275 564874553 /nfs/dbraw/zinc/87/45/53/564874553.db2.gz GKQKBXFKKPFIMH-OAHLLOKOSA-N 1 0 382.233 2.877 20 0 GFADRO COC(=O)CC1CC[NH+](CC(=O)N[C@@H](C)c2ccc(Br)cc2)CC1 ZINC000497732824 564875000 /nfs/dbraw/zinc/87/50/00/564875000.db2.gz RNASBQRJOCJVCP-ZDUSSCGKSA-N 1 0 397.313 2.901 20 0 GFADRO C[C@@H]([NH2+][C@@H]1CCN(C2CC2)C1=O)c1ccc(Br)cc1OCCCO ZINC000463358585 564876623 /nfs/dbraw/zinc/87/66/23/564876623.db2.gz FIXFYHVNKSSPTP-MLGOLLRUSA-N 1 0 397.313 2.624 20 0 GFADRO CCOc1cc(Br)c(CC(=O)N2CCC[N@H+](C)CC2)cc1OCC ZINC000497782079 564876619 /nfs/dbraw/zinc/87/66/19/564876619.db2.gz QLNLPEMQXGGFKU-UHFFFAOYSA-N 1 0 399.329 2.953 20 0 GFADRO C[NH+](C)[C@H](CNS(=O)(=O)c1cccnc1C(F)(F)F)C1CCCCC1 ZINC000557797709 564876872 /nfs/dbraw/zinc/87/68/72/564876872.db2.gz WRJTXBCLTJFEAN-CYBMUJFWSA-N 1 0 379.448 2.889 20 0 GFADRO C[NH+](C)[C@H]1CCCN(S(=O)(=O)c2cc(Br)cc3cccnc32)C1 ZINC000557825241 564878469 /nfs/dbraw/zinc/87/84/69/564878469.db2.gz CWOSCOZUVMPYBD-AWEZNQCLSA-N 1 0 398.326 2.712 20 0 GFADRO O=C(NCCc1ccc(Br)cc1)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000583198115 564880713 /nfs/dbraw/zinc/88/07/13/564880713.db2.gz JRXQKTUJPMSYHB-MRXNPFEDSA-N 1 0 377.286 2.543 20 0 GFADRO COC(=O)c1ccc(S(=O)(=O)N(CC[NH+]2CCCCCC2)C(C)C)s1 ZINC000557855748 564882780 /nfs/dbraw/zinc/88/27/80/564882780.db2.gz RIYWTTLILCDRIK-UHFFFAOYSA-N 1 0 388.555 2.810 20 0 GFADRO CC[S@](=O)[C@@H]1CCC[C@@H](NC(=O)[C@@H]2C[NH2+]C[C@H]2c2ccc(Cl)cc2)C1 ZINC000583330250 564886107 /nfs/dbraw/zinc/88/61/07/564886107.db2.gz RXSHPVBZASLKPI-HAGNESBASA-N 1 0 382.957 2.839 20 0 GFADRO COC(=O)c1ccc(S(=O)(=O)NCCCCC[NH+]2CCCC2)c(Cl)c1 ZINC000583335412 564887517 /nfs/dbraw/zinc/88/75/17/564887517.db2.gz OVVYBUGYXWHIJI-UHFFFAOYSA-N 1 0 388.917 2.671 20 0 GFADRO O=C(CC[NH2+]C[C@H]1CS(=O)(=O)c2ccccc21)Nc1ccc(Cl)cc1 ZINC000583435956 564890911 /nfs/dbraw/zinc/89/09/11/564890911.db2.gz LLLMAOCVXWHBSD-ZDUSSCGKSA-N 1 0 378.881 2.829 20 0 GFADRO [NH3+][C@@H](CC(F)F)C(=O)NCC1(c2cccc(Br)c2)CCOCC1 ZINC000498197958 564891041 /nfs/dbraw/zinc/89/10/41/564891041.db2.gz DMSQJSMRRIEMJP-ZDUSSCGKSA-N 1 0 391.256 2.596 20 0 GFADRO [NH3+][C@H](CC(F)F)C(=O)NCC1(c2ccc(Br)cc2)CCOCC1 ZINC000498212563 564891821 /nfs/dbraw/zinc/89/18/21/564891821.db2.gz QEAIOQKBQBBBHB-CYBMUJFWSA-N 1 0 391.256 2.596 20 0 GFADRO COc1sc(C[NH2+][C@@H](C2CC2)[C@]2(CO)CCCO2)cc1Br ZINC000583456784 564892031 /nfs/dbraw/zinc/89/20/31/564892031.db2.gz YCGHKMQJYNLNSR-DZGCQCFKSA-N 1 0 376.316 2.929 20 0 GFADRO COc1cc(Br)c(C[NH2+][C@@H]2CCC[C@H]3CN(C(C)=O)C[C@@H]32)cc1O ZINC000583468102 564893215 /nfs/dbraw/zinc/89/32/15/564893215.db2.gz HIPTWKFNDUXENL-DUVNUKRYSA-N 1 0 397.313 2.900 20 0 GFADRO C[C@@H](C[NH2+]C1(c2cccc(C(F)(F)F)c2)CCOCC1)CS(C)(=O)=O ZINC000583479942 564894142 /nfs/dbraw/zinc/89/41/42/564894142.db2.gz QYADJXAHIFAFLB-ZDUSSCGKSA-N 1 0 379.444 2.981 20 0 GFADRO CC1(C)[C@H](O)C[C@H]1[NH2+]C[C@H](O)COc1ccc(Cl)cc1Br ZINC000583565308 564897499 /nfs/dbraw/zinc/89/74/99/564897499.db2.gz ZETNUXMFZLWOLW-ZLKJLUDKSA-N 1 0 378.694 2.591 20 0 GFADRO CN(CC[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Cl)CC(F)(F)F ZINC000583559728 564897665 /nfs/dbraw/zinc/89/76/65/564897665.db2.gz IEHCVASNCOTXAS-LLVKDONJSA-N 1 0 375.218 2.817 20 0 GFADRO Cc1cc(NC(=O)C[N@H+](CC(C)(C)O)C2CCOCC2)ccc1Br ZINC000530939231 564898047 /nfs/dbraw/zinc/89/80/47/564898047.db2.gz GGIVDGXWCGZQID-UHFFFAOYSA-N 1 0 399.329 2.948 20 0 GFADRO C[C@H](Oc1ccc(F)cc1Br)C(=O)N(C)[C@@H]1C[NH+]2CCC1CC2 ZINC000498487782 564899459 /nfs/dbraw/zinc/89/94/59/564899459.db2.gz VLZYSBAXKNBRGS-XHDPSFHLSA-N 1 0 385.277 2.908 20 0 GFADRO O[C@H](C[NH2+]CCOCC(F)F)COc1ccc(Cl)cc1Br ZINC000583626841 564900554 /nfs/dbraw/zinc/90/05/54/564900554.db2.gz NNKXUSBRHBVINX-SNVBAGLBSA-N 1 0 388.636 2.714 20 0 GFADRO COCC[N@H+](C)CCNC(=O)N1CCC[C@@H]1c1ccc(Br)cc1 ZINC000531205614 564903837 /nfs/dbraw/zinc/90/38/37/564903837.db2.gz ZQAWSGZVJXAZGN-MRXNPFEDSA-N 1 0 384.318 2.874 20 0 GFADRO C[C@H]1CC[N@H+](C)CCN1C(=O)[C@@]12CCC(=O)N1c1cc(Cl)ccc1S2 ZINC000498716663 564905862 /nfs/dbraw/zinc/90/58/62/564905862.db2.gz LBWNZTYMYNEMCN-SGTLLEGYSA-N 1 0 379.913 2.821 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)Cn1cc(Br)cn1)c1ccc(Cl)cc1 ZINC000531306482 564906770 /nfs/dbraw/zinc/90/67/70/564906770.db2.gz MSWGJUPZOUMCNO-CQSZACIVSA-N 1 0 385.693 2.718 20 0 GFADRO O=C(CC[N@@H+]1CCCC[C@H]1[C@H]1CNC(=O)C1)Nc1ccccc1Br ZINC000583798594 564907766 /nfs/dbraw/zinc/90/77/66/564907766.db2.gz RVBQFWOEQHPFSU-CJNGLKHVSA-N 1 0 394.313 2.768 20 0 GFADRO C[C@@]([NH3+])(C(=O)NCCc1cnc(C2CC2)nc1)c1ccc(Br)cc1 ZINC000583810873 564908690 /nfs/dbraw/zinc/90/86/90/564908690.db2.gz NBVPPDAVCZGHAJ-SFHVURJKSA-N 1 0 389.297 2.649 20 0 GFADRO COCC[NH2+]C1CCN(C(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)CC1 ZINC000583819815 564909165 /nfs/dbraw/zinc/90/91/65/564909165.db2.gz OGSKRQTXVNZNMF-LBPRGKRZSA-N 1 0 375.296 2.988 20 0 GFADRO COc1ncc([C@H](C)[NH2+]C[C@@H]2CS(=O)(=O)c3ccccc3O2)cc1Cl ZINC000583811973 564909249 /nfs/dbraw/zinc/90/92/49/564909249.db2.gz JQSWJNGSTTWGEU-WCQYABFASA-N 1 0 382.869 2.629 20 0 GFADRO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CNC(=O)c1ccc(Cl)cc1Cl ZINC000531396528 564909418 /nfs/dbraw/zinc/90/94/18/564909418.db2.gz SNEOSGSSKXWWIT-UONOGXRCSA-N 1 0 384.307 2.808 20 0 GFADRO C[C@]1(CNC(=O)N2CCO[C@@H](c3ccc(Br)cc3)C2)CCC[NH2+]C1 ZINC000583921576 564912696 /nfs/dbraw/zinc/91/26/96/564912696.db2.gz OXMSDLZJGANBAB-AEFFLSMTSA-N 1 0 396.329 2.922 20 0 GFADRO CC[N@H+]1C[C@@H](C)N(C(=O)c2cc(Br)cc(C(=O)OC)c2)[C@@H](C)C1 ZINC000464621839 564913632 /nfs/dbraw/zinc/91/36/32/564913632.db2.gz ULGINOFCQPMAOB-TXEJJXNPSA-N 1 0 383.286 2.790 20 0 GFADRO CC[NH+](CC)C[C@H]1CCN(C(=O)c2cc(Br)cnc2N(C)C)C1 ZINC000464655450 564914202 /nfs/dbraw/zinc/91/42/02/564914202.db2.gz GQIKIRDKJQKBAV-CYBMUJFWSA-N 1 0 383.334 2.714 20 0 GFADRO CC1=CC[N@H+](CCNC(=O)C(=O)N[C@@H](C)c2cccc(Cl)c2Cl)CC1 ZINC000498960491 564914254 /nfs/dbraw/zinc/91/42/54/564914254.db2.gz SDQVAGKFFSZJNR-ZDUSSCGKSA-N 1 0 384.307 2.939 20 0 GFADRO C[N@@H+]1CCCC[C@H]1CCN1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000531614496 564915332 /nfs/dbraw/zinc/91/53/32/564915332.db2.gz LOKPJFXZJJFOGI-KRWDZBQOSA-N 1 0 385.961 2.521 20 0 GFADRO C[C@@H]([NH2+]CC1(O)CCS(=O)(=O)CC1)c1ccc(SCC(F)F)cc1 ZINC000583985303 564915425 /nfs/dbraw/zinc/91/54/25/564915425.db2.gz HULSRRWCCVSYIY-GFCCVEGCSA-N 1 0 379.494 2.634 20 0 GFADRO C[N@@H+]1CCC[C@H](CNC(=O)c2cc(I)ccc2F)C1 ZINC000531629158 564916372 /nfs/dbraw/zinc/91/63/72/564916372.db2.gz UBZPNUTUONFJOY-SNVBAGLBSA-N 1 0 376.213 2.502 20 0 GFADRO CC[C@@H](CO)[NH+]1CCN([C@H](C(=O)OC)c2ccc(Cl)cc2Cl)CC1 ZINC000464765974 564917691 /nfs/dbraw/zinc/91/76/91/564917691.db2.gz BCMCJZPAMUQYEQ-BBRMVZONSA-N 1 0 375.296 2.596 20 0 GFADRO CN(C)c1ncc(Br)cc1C(=O)NCC[N@H+](C)Cc1ccccc1 ZINC000499108321 564918482 /nfs/dbraw/zinc/91/84/82/564918482.db2.gz YSMFYXFBJJWHPQ-UHFFFAOYSA-N 1 0 391.313 2.772 20 0 GFADRO COc1nc(N2CCN(c3cc[nH+]c(C)c3Cl)CC2)ncc1Br ZINC000499140715 564919433 /nfs/dbraw/zinc/91/94/33/564919433.db2.gz XFMPMOAFCXTDRH-UHFFFAOYSA-N 1 0 398.692 2.931 20 0 GFADRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)c3cc(I)ccc3Cl)C[C@H]12 ZINC000584107656 564920892 /nfs/dbraw/zinc/92/08/92/564920892.db2.gz CBDITIHWPFZRGI-LJUAHTATSA-N 1 0 390.652 2.754 20 0 GFADRO COc1cc(Br)ccc1[C@H](C)NC(=O)c1csc(CC[NH3+])n1 ZINC000584173501 564924381 /nfs/dbraw/zinc/92/43/81/564924381.db2.gz DWFMXRHGEUBZFW-VIFPVBQESA-N 1 0 384.299 2.906 20 0 GFADRO Cc1nc2ccccn2c1C[NH2+]C[C@H](O)COc1ccccc1Br ZINC000531954613 564924782 /nfs/dbraw/zinc/92/47/82/564924782.db2.gz NQWKPGTZXXRDSE-AWEZNQCLSA-N 1 0 390.281 2.935 20 0 GFADRO Cc1cc(I)cc(C(=O)NCC[N@H+]2CC[C@@H](C)C2)c1C ZINC000531959533 564924805 /nfs/dbraw/zinc/92/48/05/564924805.db2.gz STAPMRHGEROIRG-LLVKDONJSA-N 1 0 386.277 2.980 20 0 GFADRO C[C@@H]1CN(CCC[NH2+]Cc2cn3ccc(Br)cc3n2)C[C@H](C)O1 ZINC000584260981 564927569 /nfs/dbraw/zinc/92/75/69/564927569.db2.gz GDSCTHOTBWYMAO-OKILXGFUSA-N 1 0 381.318 2.686 20 0 GFADRO COCCC[N@H+](C)CCNC(=O)NCCc1nc2cc(Cl)ccc2s1 ZINC000465500032 564928975 /nfs/dbraw/zinc/92/89/75/564928975.db2.gz FJKJQNJVARVFII-UHFFFAOYSA-N 1 0 384.933 2.760 20 0 GFADRO C[C@H](CNC(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1)Oc1ccc(Br)cc1 ZINC000465683823 564930821 /nfs/dbraw/zinc/93/08/21/564930821.db2.gz AOFMMNRSVVERIP-KGLIPLIRSA-N 1 0 396.329 3.000 20 0 GFADRO O=C(NCC[C@@H](O)C(F)(F)F)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000499613881 564931926 /nfs/dbraw/zinc/93/19/26/564931926.db2.gz FGMNGABJQHGRDZ-GXTWGEPZSA-N 1 0 379.448 2.573 20 0 GFADRO C[C@H](CNC(=O)NC[C@H](C)Oc1cccc(Br)c1)[N@H+](C)C1CC1 ZINC000465894737 564933288 /nfs/dbraw/zinc/93/32/88/564933288.db2.gz SLWNVIGGIVQDMZ-OLZOCXBDSA-N 1 0 384.318 2.998 20 0 GFADRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NCCc1ccc(F)c(Br)c1 ZINC000466222892 564936120 /nfs/dbraw/zinc/93/61/20/564936120.db2.gz HFYIFCZDRRYFGX-ZBEGNZNMSA-N 1 0 384.293 2.913 20 0 GFADRO COc1ccc(CNC(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)cc1Br ZINC000466260033 564937019 /nfs/dbraw/zinc/93/70/19/564937019.db2.gz XYYVYWXUUKCRLH-IAQYHMDHSA-N 1 0 382.302 2.740 20 0 GFADRO C[C@H]1[C@H](NC(=O)C(=O)Nc2cc(Cl)ccc2C(F)(F)F)CCC[N@@H+]1C ZINC000499810784 564937292 /nfs/dbraw/zinc/93/72/92/564937292.db2.gz JXDYAINYBHBTAH-JOYOIKCWSA-N 1 0 377.794 2.896 20 0 GFADRO COCC[N@@H+]1CC[C@H](NC(=O)N2Cc3cc(Br)ccc3C[C@@H]2C)C1 ZINC000499803882 564937495 /nfs/dbraw/zinc/93/74/95/564937495.db2.gz SVFMSYSGKCFTLO-GUYCJALGSA-N 1 0 396.329 2.626 20 0 GFADRO C[NH+](C)CCC1CCN(S(=O)(=O)Cc2cccc(Br)c2)CC1 ZINC000559640979 564938486 /nfs/dbraw/zinc/93/84/86/564938486.db2.gz RUJSNUIMMJFDHD-UHFFFAOYSA-N 1 0 389.359 2.943 20 0 GFADRO COCC[N@@H+]1CCCN(C(=O)Cc2cc(Cl)ccc2Br)CC1 ZINC000532460564 564938570 /nfs/dbraw/zinc/93/85/70/564938570.db2.gz CKMJWBHZNIATKN-UHFFFAOYSA-N 1 0 389.721 2.826 20 0 GFADRO C[C@H](CNC(=O)N1CCC[C@@H]([NH+](C)C)C1)Oc1ccc(Br)cc1 ZINC000466366707 564938683 /nfs/dbraw/zinc/93/86/83/564938683.db2.gz KUHGXDJRNKVJQK-UKRRQHHQSA-N 1 0 384.318 2.952 20 0 GFADRO COCC(=O)N1CCC([NH2+][C@H]2CCCOc3c(Br)cccc32)CC1 ZINC000532511693 564940102 /nfs/dbraw/zinc/94/01/02/564940102.db2.gz UUJVFUPLTATATH-INIZCTEOSA-N 1 0 397.313 2.890 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CNC(=O)C1(c2ccc(I)cc2)CC1 ZINC000499993957 564942287 /nfs/dbraw/zinc/94/22/87/564942287.db2.gz DHXFZZAPYWTNSD-HNNXBMFYSA-N 1 0 398.288 2.923 20 0 GFADRO CC(C)C[NH+]1CCC(NC(=O)c2cc(Br)cnc2N(C)C)CC1 ZINC000499997977 564942447 /nfs/dbraw/zinc/94/24/47/564942447.db2.gz GIBFTMSBRLHYDA-UHFFFAOYSA-N 1 0 383.334 2.760 20 0 GFADRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)c1cccc(F)c1I ZINC000532754752 564944262 /nfs/dbraw/zinc/94/42/62/564944262.db2.gz PNSHQHCVIRQATJ-NSHDSACASA-N 1 0 390.240 2.844 20 0 GFADRO O=C(c1cccc(F)c1I)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000532754669 564944316 /nfs/dbraw/zinc/94/43/16/564944316.db2.gz QACBZOYUWVSSDW-NSHDSACASA-N 1 0 388.224 2.741 20 0 GFADRO Fc1ccc(Br)c(F)c1CN1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000500112666 564946433 /nfs/dbraw/zinc/94/64/33/564946433.db2.gz DSKCFRLJUPJZNP-LBPRGKRZSA-N 1 0 375.257 2.881 20 0 GFADRO COc1ccc(S(=O)(=O)NCc2ccc(CC[NH+](C)C)cc2)cc1Cl ZINC000466853264 564948367 /nfs/dbraw/zinc/94/83/67/564948367.db2.gz MGWOHVCHDHPTCX-UHFFFAOYSA-N 1 0 382.913 2.931 20 0 GFADRO CS(=O)(=O)N[C@@H]1CCC[C@@H]1C[NH2+]Cc1c(F)ccc(Br)c1F ZINC000500401475 564952077 /nfs/dbraw/zinc/95/20/77/564952077.db2.gz XOUSRIOVOYBZPY-NOZJJQNGSA-N 1 0 397.285 2.535 20 0 GFADRO COCC[C@H]([NH2+]CCC(=O)N1CCOCC1)c1ccc(Cl)c(Cl)c1 ZINC000560185947 564952482 /nfs/dbraw/zinc/95/24/82/564952482.db2.gz WYNFGTRHKPFVEC-INIZCTEOSA-N 1 0 375.296 2.910 20 0 GFADRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1cc(=O)[nH]c2ccc(Br)cc21 ZINC000467035351 564953273 /nfs/dbraw/zinc/95/32/73/564953273.db2.gz RDMMUQVPWOSQRD-HWPZZCPQSA-N 1 0 390.281 2.915 20 0 GFADRO O=C(Nc1cc(Cl)ccc1C(F)(F)F)C(=O)N1CC[NH+]2CCC1CC2 ZINC000500458473 564954340 /nfs/dbraw/zinc/95/43/40/564954340.db2.gz QJJFSRDGIVDATE-UHFFFAOYSA-N 1 0 375.778 2.604 20 0 GFADRO C[N@H+](Cc1ccccc1)CC(C)(C)NC(=O)Cn1cc(Br)cn1 ZINC000533142643 564955897 /nfs/dbraw/zinc/95/58/97/564955897.db2.gz OWPPJOIILBMUAG-UHFFFAOYSA-N 1 0 379.302 2.672 20 0 GFADRO COc1c(Cl)cc(Cl)cc1C[NH2+][C@H]1CCC[C@@H]1CNS(C)(=O)=O ZINC000500534757 564956244 /nfs/dbraw/zinc/95/62/44/564956244.db2.gz PECBXMUTICPMMG-YGRLFVJLSA-N 1 0 381.325 2.810 20 0 GFADRO Cc1cc(Br)ccc1C[NH2+][C@@H]1CCC[C@H]1CNS(C)(=O)=O ZINC000500542778 564956819 /nfs/dbraw/zinc/95/68/19/564956819.db2.gz ASBDKVRNDIQNNE-DZGCQCFKSA-N 1 0 375.332 2.565 20 0 GFADRO COCCN(CC[NH+](C)C)C(=O)[C@@H]1C[C@@]12CCc1cc(Br)ccc12 ZINC000467248920 564959489 /nfs/dbraw/zinc/95/94/89/564959489.db2.gz BMKBREZYQIHHTA-PKOBYXMFSA-N 1 0 395.341 2.690 20 0 GFADRO CCS(=O)(=O)c1cccc(C[NH2+][C@@H](C)Cn2cc(Br)cn2)c1 ZINC000467416627 564962320 /nfs/dbraw/zinc/96/23/20/564962320.db2.gz CCIOQZLSSYXRAH-LBPRGKRZSA-N 1 0 386.315 2.618 20 0 GFADRO O=C(c1csc(C(F)(F)F)n1)N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000500860910 564964251 /nfs/dbraw/zinc/96/42/51/564964251.db2.gz DCQYQYIIMSYPEK-LBPRGKRZSA-N 1 0 377.432 2.879 20 0 GFADRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1cccc(F)c1I ZINC000533536010 564965007 /nfs/dbraw/zinc/96/50/07/564965007.db2.gz XSGHEJDVBMYGGD-RNCFNFMXSA-N 1 0 388.224 2.643 20 0 GFADRO C[C@H]1C[C@@H](NC(=O)c2cccc(F)c2I)CC[N@@H+]1C ZINC000533536580 564965172 /nfs/dbraw/zinc/96/51/72/564965172.db2.gz XVPZEFORMMGBDD-UWVGGRQHSA-N 1 0 376.213 2.643 20 0 GFADRO O=C(CSCc1ccc(Cl)cc1Cl)NC[C@@]1(O)C[NH+]2CCC1CC2 ZINC000560505315 564965436 /nfs/dbraw/zinc/96/54/36/564965436.db2.gz KWNILGPLCOTPMU-QGZVFWFLSA-N 1 0 389.348 2.800 20 0 GFADRO O[C@H](C[NH2+]C[C@@H]1CC=CCC1)COc1ccc(I)cc1 ZINC000533565077 564966806 /nfs/dbraw/zinc/96/68/06/564966806.db2.gz RENKZCYBCHEFAT-UKRRQHHQSA-N 1 0 387.261 2.977 20 0 GFADRO C[C@H]1CCC[C@H](CO)[N@@H+]1CC(=O)N(C)CCOc1ccc(Br)cc1 ZINC000501039791 564968797 /nfs/dbraw/zinc/96/87/97/564968797.db2.gz NSLUQYFUKDMKQU-GOEBONIOSA-N 1 0 399.329 2.522 20 0 GFADRO NC(=O)[C@@H]([NH2+][C@H]1CCN(c2cccc(Br)c2)C1)c1ccc(F)cc1 ZINC000467642041 564969691 /nfs/dbraw/zinc/96/96/91/564969691.db2.gz WLVZOEHNCLMSER-RDJZCZTQSA-N 1 0 392.272 2.983 20 0 GFADRO C[C@H]([NH2+]C1CCN(S(=O)(=O)C2CC2)CC1)c1nc(C(F)(F)F)cs1 ZINC000467740993 564971212 /nfs/dbraw/zinc/97/12/12/564971212.db2.gz IKRYKDSUPBQKOZ-VIFPVBQESA-N 1 0 383.461 2.769 20 0 GFADRO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)c2ccc(F)cc2Br)CC1 ZINC000501154287 564972238 /nfs/dbraw/zinc/97/22/38/564972238.db2.gz NCCPEDXNRVXOTK-HNNXBMFYSA-N 1 0 398.320 2.830 20 0 GFADRO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)Cc2ccc(Br)cc2)CC1 ZINC000501145012 564972425 /nfs/dbraw/zinc/97/24/25/564972425.db2.gz XSDGHAHRCGVPSH-SFHVURJKSA-N 1 0 394.357 2.620 20 0 GFADRO C[NH+]1CCN(c2ccc(Br)cc2NC(=O)Cc2ccco2)CC1 ZINC000501224646 564973654 /nfs/dbraw/zinc/97/36/54/564973654.db2.gz CTNSOAJBMOTEDO-UHFFFAOYSA-N 1 0 378.270 2.975 20 0 GFADRO C[NH+](C)C1(CNC(=O)c2cc(Br)cc3cccnc32)CCOCC1 ZINC000533945764 564976440 /nfs/dbraw/zinc/97/64/40/564976440.db2.gz WOUKOMZWGFVONF-UHFFFAOYSA-N 1 0 392.297 2.838 20 0 GFADRO O=C(C[N@@H+]1CCC2(CCC2)C1)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000468126979 564978568 /nfs/dbraw/zinc/97/85/68/564978568.db2.gz PIMXEHPNHYUSDH-UHFFFAOYSA-N 1 0 383.323 2.913 20 0 GFADRO C[C@@H](CC[NH+](C)C)NC(=O)N1CCO[C@H](c2cccc(Br)c2)C1 ZINC000501409712 564978868 /nfs/dbraw/zinc/97/88/68/564978868.db2.gz SVWRKYOUGQEFQY-BBRMVZONSA-N 1 0 384.318 2.872 20 0 GFADRO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+][C@@H]1CCO[C@@H](c2ccccn2)C1 ZINC000560896769 564979463 /nfs/dbraw/zinc/97/94/63/564979463.db2.gz GIHHJAGRFNGQCW-YSVLISHTSA-N 1 0 392.297 2.904 20 0 GFADRO CS[C@H]1CN(CC(=O)Nc2ccc(Br)cc2F)C[C@H]1[NH+](C)C ZINC000534216314 564983124 /nfs/dbraw/zinc/98/31/24/564983124.db2.gz MTJVMBZHLBXLID-KGLIPLIRSA-N 1 0 390.322 2.504 20 0 GFADRO C[C@@H](O)C[N@@H+]1CCN(Cc2cccc(Br)c2OC(F)F)[C@H](C)C1 ZINC000502000705 564989586 /nfs/dbraw/zinc/98/95/86/564989586.db2.gz LSJYKRNBVQOCEJ-VXGBXAGGSA-N 1 0 393.272 2.937 20 0 GFADRO CN(CC1([NH+](C)C)CCC1)c1c(Br)cccc1S(C)(=O)=O ZINC000561304234 564990052 /nfs/dbraw/zinc/99/00/52/564990052.db2.gz UZNSLRLFIOOHFV-UHFFFAOYSA-N 1 0 375.332 2.773 20 0 GFADRO C[C@@H](CCc1ccc(Br)cc1)NC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC000502034249 564990300 /nfs/dbraw/zinc/99/03/00/564990300.db2.gz SHPIWCCZYXYBFN-GJZGRUSLSA-N 1 0 383.330 2.855 20 0 GFADRO O=C(CNC(=O)Cc1c(Cl)cccc1Cl)NCC[NH+]1CCCCCC1 ZINC000561325667 564990741 /nfs/dbraw/zinc/99/07/41/564990741.db2.gz KXPLKDDWRWPGEV-UHFFFAOYSA-N 1 0 386.323 2.644 20 0 GFADRO Cc1nc(C[NH2+]CCCN(C2CC2)S(=O)(=O)c2cccc(F)c2)cs1 ZINC000534512823 564991074 /nfs/dbraw/zinc/99/10/74/564991074.db2.gz FFVALIINYVEESZ-UHFFFAOYSA-N 1 0 383.514 2.924 20 0 GFADRO CC[NH+](CC)[C@@H](C(=O)NCCn1cc(Br)cn1)c1ccccc1 ZINC000561341767 564992162 /nfs/dbraw/zinc/99/21/62/564992162.db2.gz OUEDIHDFGWSRHO-MRXNPFEDSA-N 1 0 379.302 2.845 20 0 GFADRO O=C1c2ccccc2C(=O)N1CC[NH2+]Cc1ccc(Br)c(F)c1 ZINC000561438335 564994764 /nfs/dbraw/zinc/99/47/64/564994764.db2.gz KWUQTTDXPDKMMV-UHFFFAOYSA-N 1 0 377.213 2.974 20 0 GFADRO CCc1n[nH]c(C(=O)NC[C@@H](C)[N@H+](C)Cc2ccccc2)c1Br ZINC000468836471 564995371 /nfs/dbraw/zinc/99/53/71/564995371.db2.gz CVOGNPDBZAKKOE-GFCCVEGCSA-N 1 0 379.302 2.985 20 0 GFADRO COc1cc(C[NH2+]C(C)(C)[C@H](C)O)cc(I)c1OC ZINC000534970407 565000460 /nfs/dbraw/zinc/00/04/60/565000460.db2.gz BRGZDLUXJPUFNK-VIFPVBQESA-N 1 0 379.238 2.557 20 0 GFADRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1S(=O)(=O)Cc1ccccc1Br ZINC000561543679 565000708 /nfs/dbraw/zinc/00/07/08/565000708.db2.gz NSAOLDCLVLSGIR-ZFWWWQNUSA-N 1 0 387.343 2.838 20 0 GFADRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)c3c(F)ccc(C)c3Br)[C@H]2C1 ZINC000502553718 565000955 /nfs/dbraw/zinc/00/09/55/565000955.db2.gz ICJZJKHMPGZOPB-UONOGXRCSA-N 1 0 385.277 2.832 20 0 GFADRO CCC[NH+]1CCC(CNS(=O)(=O)c2ccc(Br)s2)CC1 ZINC000502691959 565003658 /nfs/dbraw/zinc/00/36/58/565003658.db2.gz YCKPEDZDLLSHAJ-UHFFFAOYSA-N 1 0 381.361 2.911 20 0 GFADRO Cc1cc([C@H](C)[NH2+]CCCNC(=O)c2ccc(Br)cc2)nn1C ZINC000502699836 565003689 /nfs/dbraw/zinc/00/36/89/565003689.db2.gz MIWOISZGCNHQIL-ZDUSSCGKSA-N 1 0 379.302 2.962 20 0 GFADRO C[C@@H](CN1CCOCC1)N(C)C(=O)c1ccnc(SCC(F)(F)F)c1 ZINC000469145431 565006846 /nfs/dbraw/zinc/00/68/46/565006846.db2.gz FQVKNBGSADWXBU-LBPRGKRZSA-N 1 0 377.432 2.529 20 0 GFADRO C[NH+](C)[C@H](CNc1ncc(I)cn1)Cc1ccccc1 ZINC000535261277 565008554 /nfs/dbraw/zinc/00/85/54/565008554.db2.gz NPYPBNJTOIAYBQ-AWEZNQCLSA-N 1 0 382.249 2.666 20 0 GFADRO CC[C@H](C(=O)N[C@@H](CO)c1ccc(Br)c(F)c1)[NH+](CC)CC ZINC000561776901 565009004 /nfs/dbraw/zinc/00/90/04/565009004.db2.gz SOAHNLKLSDBVRS-LSDHHAIUSA-N 1 0 375.282 2.858 20 0 GFADRO CC[C@H](CO)[NH+]1CCN(C(=O)CCc2nc3cc(Cl)ccc3s2)CC1 ZINC000535425068 565013193 /nfs/dbraw/zinc/01/31/93/565013193.db2.gz KWNUSNQPKHXNOO-CQSZACIVSA-N 1 0 381.929 2.797 20 0 GFADRO CC(=O)NCCN(CC[NH+]1CCCCC1)Cc1ccc(Br)s1 ZINC000503209233 565014053 /nfs/dbraw/zinc/01/40/53/565014053.db2.gz XOOQRZRTAFLYDD-UHFFFAOYSA-N 1 0 388.375 2.935 20 0 GFADRO CS[C@@H]1CN(S(=O)(=O)c2cc(C(F)(F)F)ccc2F)C[C@@H]1[NH+](C)C ZINC000503221438 565014575 /nfs/dbraw/zinc/01/45/75/565014575.db2.gz JXHGMWUPLZXDKJ-NWDGAFQWSA-N 1 0 386.436 2.511 20 0 GFADRO CS[C@@H]1CN(C(=O)C2(c3cccc(Br)c3)CC2)C[C@H]1[NH+](C)C ZINC000535543717 565015145 /nfs/dbraw/zinc/01/51/45/565015145.db2.gz XKQGJNMDGHZWIN-HUUCEWRRSA-N 1 0 383.355 2.985 20 0 GFADRO CS[C@@H]1CN(S(=O)(=O)Cc2ccccc2C(F)(F)F)C[C@@H]1[NH+](C)C ZINC000503231623 565015404 /nfs/dbraw/zinc/01/54/04/565015404.db2.gz LCQAPCSVOIWQMH-UONOGXRCSA-N 1 0 382.473 2.513 20 0 GFADRO CC[NH+](CC)CCS(=O)(=O)NCc1csc(CCc2ccccc2)n1 ZINC000562053799 565015998 /nfs/dbraw/zinc/01/59/98/565015998.db2.gz OJRSOWMPJGICOT-UHFFFAOYSA-N 1 0 381.567 2.690 20 0 GFADRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)[C@@H]1CC(=O)Nc2ccc(Br)cc21 ZINC000469430609 565016854 /nfs/dbraw/zinc/01/68/54/565016854.db2.gz UCPKQLDKTOFQMF-IUODEOHRSA-N 1 0 394.313 2.675 20 0 GFADRO CC(C)C[N@@H+]1CCO[C@@H](CNCc2cn3ccc(Br)cc3n2)C1 ZINC000562078459 565017218 /nfs/dbraw/zinc/01/72/18/565017218.db2.gz HTEJJAZKBHKDPR-INIZCTEOSA-N 1 0 381.318 2.543 20 0 GFADRO CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(c2ccc(Br)cc2)CC1 ZINC000503438570 565019500 /nfs/dbraw/zinc/01/95/00/565019500.db2.gz ZBHOLAOYXJCTSP-GFCCVEGCSA-N 1 0 382.302 2.863 20 0 GFADRO Cc1cccc(Br)c1C(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000562246795 565021943 /nfs/dbraw/zinc/02/19/43/565021943.db2.gz IMOWMWXCULGSSJ-RDJZCZTQSA-N 1 0 394.357 2.856 20 0 GFADRO CC[NH+](CC)CC[C@H](CO)NC(=O)[C@@H](C)c1ccc(Br)s1 ZINC000535835645 565023010 /nfs/dbraw/zinc/02/30/10/565023010.db2.gz HNUUCPHDEQTJPA-NWDGAFQWSA-N 1 0 377.348 2.823 20 0 GFADRO C[C@@H](NC(=O)N1CC[N@@H+](C[C@H](C)O)C[C@@H]1C)c1ccc(Br)cc1 ZINC000503551433 565023437 /nfs/dbraw/zinc/02/34/37/565023437.db2.gz MOCFEFMHYDSZRM-MELADBBJSA-N 1 0 384.318 2.607 20 0 GFADRO CC[NH+]1CCN(CC(=O)N(C)CC2(c3ccc(Br)cc3)CC2)CC1 ZINC000469724340 565025658 /nfs/dbraw/zinc/02/56/58/565025658.db2.gz FGEXXXNGVRCNQL-UHFFFAOYSA-N 1 0 394.357 2.577 20 0 GFADRO COc1cc(Br)ccc1CCC[N@@H+]1C[C@@H]2CCC[C@@H]2[C@H]1C(N)=O ZINC000469832090 565028391 /nfs/dbraw/zinc/02/83/91/565028391.db2.gz RFEKLJXXIBCNAS-QRTARXTBSA-N 1 0 381.314 2.976 20 0 GFADRO COC(=O)[C@@H](c1ccc(Cl)cc1Cl)N1CCC[N@@H+]([C@@H](C)CO)CC1 ZINC000469828570 565028411 /nfs/dbraw/zinc/02/84/11/565028411.db2.gz VBOLACPBQVYUGO-BLLLJJGKSA-N 1 0 375.296 2.596 20 0 GFADRO COC(=O)[C@H](c1cc(Cl)cc(Cl)c1)N1CCC[N@@H+]([C@@H](C)CO)CC1 ZINC000469866385 565030016 /nfs/dbraw/zinc/03/00/16/565030016.db2.gz PWZWTIVXCAWHLS-LRDDRELGSA-N 1 0 375.296 2.596 20 0 GFADRO C[NH+](C)C1CCN(CCNC(=O)NCCc2cccc(Cl)c2Cl)CC1 ZINC000536223721 565032001 /nfs/dbraw/zinc/03/20/01/565032001.db2.gz CUNHUOQBTJGFGA-UHFFFAOYSA-N 1 0 387.355 2.861 20 0 GFADRO Cn1cc(Br)cc1C(=O)N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000469945848 565032475 /nfs/dbraw/zinc/03/24/75/565032475.db2.gz XJFAQGUGBVDUAD-OAHLLOKOSA-N 1 0 384.318 2.505 20 0 GFADRO C[NH+](C)[C@@H]1CCCN(C(=O)c2cc(I)ccc2F)CC1 ZINC000469995938 565034576 /nfs/dbraw/zinc/03/45/76/565034576.db2.gz HDUPPFKPKBNWLF-GFCCVEGCSA-N 1 0 390.240 2.987 20 0 GFADRO C[C@H](CNC(=O)N[C@@H](CO)c1ccc(Br)cc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000504081470 565034718 /nfs/dbraw/zinc/03/47/18/565034718.db2.gz ZXJZXHFJTKHMLE-CPUCHLNUSA-N 1 0 398.345 2.902 20 0 GFADRO C[C@@H](CNC(=O)N[C@@H](CO)c1ccc(Br)cc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000504081472 565034793 /nfs/dbraw/zinc/03/47/93/565034793.db2.gz ZXJZXHFJTKHMLE-KEYYUXOJSA-N 1 0 398.345 2.902 20 0 GFADRO Cc1ccc(Br)c(NCC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)c1 ZINC000536389825 565035863 /nfs/dbraw/zinc/03/58/63/565035863.db2.gz WKPNSQITSVWSBE-OAHLLOKOSA-N 1 0 398.345 2.642 20 0 GFADRO CSCC[C@H]([NH3+])C(=O)N1CCC(Oc2cccc(Br)c2)CC1 ZINC000562622351 565035914 /nfs/dbraw/zinc/03/59/14/565035914.db2.gz WLILAGQWIRBFOG-HNNXBMFYSA-N 1 0 387.343 2.899 20 0 GFADRO O=C(NC[C@H]1CCCC[N@H+]1CCO)[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000562627154 565036341 /nfs/dbraw/zinc/03/63/41/565036341.db2.gz BVKJHINVUHNVRD-IXDOHACOSA-N 1 0 381.314 2.516 20 0 GFADRO C[C@H](CNC(=O)N[C@@H](CO)c1ccc(Br)cc1)[NH+]1CCC(C)CC1 ZINC000504259541 565037152 /nfs/dbraw/zinc/03/71/52/565037152.db2.gz INYSTLUDABHXGR-PBHICJAKSA-N 1 0 398.345 2.902 20 0 GFADRO C[C@H]1C[N@H+](CCCNC(=O)Cc2ccc(F)c(Br)c2)CCCO1 ZINC000470064931 565037462 /nfs/dbraw/zinc/03/74/62/565037462.db2.gz GZLOTDFZHOXYLJ-ZDUSSCGKSA-N 1 0 387.293 2.748 20 0 GFADRO C[C@H]1C[C@@H](NC(=O)NCc2nc3c(cccc3Br)[nH]2)C[N@@H+]1C1CC1 ZINC000562667403 565038144 /nfs/dbraw/zinc/03/81/44/565038144.db2.gz IODLBHHLQVWIGB-WDEREUQCSA-N 1 0 392.301 2.750 20 0 GFADRO CS[C@@H]1CN(Cc2nc(-c3cccc(Br)c3)no2)C[C@@H]1[NH+](C)C ZINC000536471720 565038158 /nfs/dbraw/zinc/03/81/58/565038158.db2.gz KUNVAEMSTKETCR-UONOGXRCSA-N 1 0 397.342 2.977 20 0 GFADRO CNC(=O)[C@H]1CCC[C@H]1[NH2+]Cc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000536552577 565041150 /nfs/dbraw/zinc/04/11/50/565041150.db2.gz AHFBDKMLIWAVRV-UONOGXRCSA-N 1 0 377.286 2.844 20 0 GFADRO C[C@@H]1[C@H](C)N(C(=O)[C@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)CC[N@H+]1C ZINC000536598043 565041505 /nfs/dbraw/zinc/04/15/05/565041505.db2.gz LQODUJBQAZVSQB-MBNYWOFBSA-N 1 0 384.307 2.897 20 0 GFADRO C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)Nc1ccc(Br)c(C2CC2)n1 ZINC000562763676 565042167 /nfs/dbraw/zinc/04/21/67/565042167.db2.gz MPUBTDSZMYHHQC-SKDRFNHKSA-N 1 0 383.290 2.956 20 0 GFADRO COc1cc(Br)c(CNC(=O)NCCC[NH2+]C(C)C)cc1OC ZINC000562815146 565043679 /nfs/dbraw/zinc/04/36/79/565043679.db2.gz SZIOWXPVHSKZPZ-UHFFFAOYSA-N 1 0 388.306 2.654 20 0 GFADRO Cc1sc(CNC(=O)NC[C@H]2C[NH2+]CCO2)nc1-c1ccc(Cl)cc1 ZINC000562803207 565044075 /nfs/dbraw/zinc/04/40/75/565044075.db2.gz NRXJSSCZIHJVKB-CQSZACIVSA-N 1 0 380.901 2.560 20 0 GFADRO CN1CCN([C@@H](CNC(=O)CC2(C(F)(F)F)CC2)c2cccs2)CC1 ZINC000562879466 565046418 /nfs/dbraw/zinc/04/64/18/565046418.db2.gz MGRKOLJNCFOWKG-ZDUSSCGKSA-N 1 0 375.460 2.885 20 0 GFADRO CSCC[C@@H](CO)[NH2+][C@H](C)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000536848400 565048579 /nfs/dbraw/zinc/04/85/79/565048579.db2.gz XCLHWKXMHYEDJQ-WBVHZDCISA-N 1 0 386.583 2.626 20 0 GFADRO O=C(C[C@@H]1CSCC[NH2+]1)N1CCC(Oc2cccc(Br)c2)CC1 ZINC000562976435 565050397 /nfs/dbraw/zinc/05/03/97/565050397.db2.gz GGKGHDKSGAFIIB-CQSZACIVSA-N 1 0 399.354 2.914 20 0 GFADRO [NH3+]CC[C@H]1CCCCN1C(=O)c1cc(F)c(F)cc1I ZINC000562979143 565050806 /nfs/dbraw/zinc/05/08/06/565050806.db2.gz RFPGYXUSYLVKEN-SECBINFHSA-N 1 0 394.203 2.913 20 0 GFADRO O=C(COc1ccc(F)cc1Br)NC[C@H]1[NH2+]CCc2ccccc21 ZINC000562979936 565050809 /nfs/dbraw/zinc/05/08/09/565050809.db2.gz WREZRCPPGOKEDL-MRXNPFEDSA-N 1 0 393.256 2.970 20 0 GFADRO Cc1cccc(OC[C@H](O)C[NH2+]Cc2ccc(S(C)(=O)=O)c(Cl)c2)c1 ZINC000563003715 565051123 /nfs/dbraw/zinc/05/11/23/565051123.db2.gz WHGQKUXREPLFGJ-OAHLLOKOSA-N 1 0 383.897 2.581 20 0 GFADRO CCC[N@H+](C)CC(=O)N[C@@H](Cc1cc(Cl)cc(Cl)c1)C(=O)OCC ZINC000470650525 565051768 /nfs/dbraw/zinc/05/17/68/565051768.db2.gz SCYQIBTWJHBEKX-HNNXBMFYSA-N 1 0 375.296 2.926 20 0 GFADRO O=c1c2c(ncn1Cc1cccc3c(Br)cccc13)CC[NH2+]CC2 ZINC000563079290 565054753 /nfs/dbraw/zinc/05/47/53/565054753.db2.gz FAQTXUREQFJHPM-UHFFFAOYSA-N 1 0 384.277 2.896 20 0 GFADRO CC[C@@H](Cc1ccccc1Br)NC(=O)CN1CC[NH+](CC)CC1 ZINC000470749178 565054817 /nfs/dbraw/zinc/05/48/17/565054817.db2.gz KOOYYPRRYLCKNG-INIZCTEOSA-N 1 0 382.346 2.524 20 0 GFADRO C[C@H](NC(=O)[C@H]1CC[NH2+][C@@H]1C)c1nc(-c2ccc(Br)cc2)no1 ZINC000563090436 565055197 /nfs/dbraw/zinc/05/51/97/565055197.db2.gz QQHLFJKKFLDTOX-NRUUGDAUSA-N 1 0 379.258 2.674 20 0 GFADRO C[C@H](c1ccccc1Br)N(C)C(=O)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O ZINC000563098362 565055493 /nfs/dbraw/zinc/05/54/93/565055493.db2.gz SAKNWWHGXSNZSD-RLAWYHOSSA-N 1 0 379.298 2.783 20 0 GFADRO CC[C@H]([NH2+]CC(=O)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1)C(C)(C)C ZINC000537288956 565056298 /nfs/dbraw/zinc/05/62/98/565056298.db2.gz BELJXSCFRQZKDF-ZBFHGGJFSA-N 1 0 386.583 2.678 20 0 GFADRO CCc1ncc(C[NH2+]Cc2ccccc2CS(=O)(=O)N2CCCC2)s1 ZINC000537320575 565056927 /nfs/dbraw/zinc/05/69/27/565056927.db2.gz IYTIUCRSYRLOTE-UHFFFAOYSA-N 1 0 379.551 2.921 20 0 GFADRO O=S(=O)(Cc1cccc(Br)c1)NC[C@H]1[NH2+]CCc2ccccc21 ZINC000563138101 565056953 /nfs/dbraw/zinc/05/69/53/565056953.db2.gz JMQGMXNZVMAMRN-QGZVFWFLSA-N 1 0 395.322 2.756 20 0 GFADRO COc1cc(C)c(Br)cc1S(=O)(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000563130103 565056979 /nfs/dbraw/zinc/05/69/79/565056979.db2.gz SJPXFUGJLJVSEM-LBPRGKRZSA-N 1 0 391.331 2.577 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)c1cnn2cc(Br)cnc12)c1ccsc1 ZINC000537646092 565060816 /nfs/dbraw/zinc/06/08/16/565060816.db2.gz ZODRAHGRRUVVLF-CYBMUJFWSA-N 1 0 394.298 2.586 20 0 GFADRO O=C(NC[C@H](CO)Cc1cccc(Br)c1)C12CCC[NH+](CCC1)C2 ZINC000635853764 565077830 /nfs/dbraw/zinc/07/78/30/565077830.db2.gz KXWIOIPPMYVSQO-MRXNPFEDSA-N 1 0 395.341 2.592 20 0 GFADRO COC1CC[NH+](CCNC(=O)N[C@@H]2C[C@H]2c2ccc(Br)cc2)CC1 ZINC000684812031 565083324 /nfs/dbraw/zinc/08/33/24/565083324.db2.gz RWUFHZLXBIIVNE-DLBZAZTESA-N 1 0 396.329 2.715 20 0 GFADRO C[N@@H+]1CC[C@@H](CC(=O)NCc2c(Br)cncc2Br)C1 ZINC000635975894 565084818 /nfs/dbraw/zinc/08/48/18/565084818.db2.gz DAZNWLPXPAHYGT-VIFPVBQESA-N 1 0 391.107 2.565 20 0 GFADRO CC[C@@H](C[NH+]1CCCC1)NS(=O)(=O)c1cccc(Br)c1F ZINC000684912704 565089008 /nfs/dbraw/zinc/08/90/08/565089008.db2.gz VCBDSMVOOZVJEB-NSHDSACASA-N 1 0 379.295 2.741 20 0 GFADRO COc1cc(OC)c(S(=O)(=O)N2CCCC23CC[NH+](C)CC3)cc1Cl ZINC000584579597 565089652 /nfs/dbraw/zinc/08/96/52/565089652.db2.gz PGLXSHGGOSUPDY-UHFFFAOYSA-N 1 0 388.917 2.606 20 0 GFADRO C[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCN(c3cc(Cl)ccc3Cl)C1=O)C2 ZINC000614039189 565091944 /nfs/dbraw/zinc/09/19/44/565091944.db2.gz QITVWXYAPSFXFE-CYBMUJFWSA-N 1 0 382.291 2.510 20 0 GFADRO COc1ccc([C@@H](C)[NH2+]Cc2ccc(S(=O)(=O)CCO)cc2)cc1Cl ZINC000584695355 565092338 /nfs/dbraw/zinc/09/23/38/565092338.db2.gz WPXJXPPXVGVUBG-CYBMUJFWSA-N 1 0 383.897 2.965 20 0 GFADRO C[NH+](C)C[C@@]1(O)CCCN(C(=O)CCC(=O)c2cc(Cl)sc2Cl)C1 ZINC000614068245 565093838 /nfs/dbraw/zinc/09/38/38/565093838.db2.gz YJIGVUBDDOBLEA-INIZCTEOSA-N 1 0 393.336 2.933 20 0 GFADRO C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000614071545 565094210 /nfs/dbraw/zinc/09/42/10/565094210.db2.gz XCXVBUGFBWDDCJ-YVEFUNNKSA-N 1 0 375.296 2.676 20 0 GFADRO C[N@H+]1C[C@H]2CN(C(=O)c3c(F)c(F)c(Br)c(F)c3F)C[C@H]2C1 ZINC000614123724 565097257 /nfs/dbraw/zinc/09/72/57/565097257.db2.gz GTDFVZZNBBNVLR-KNVOCYPGSA-N 1 0 381.167 2.639 20 0 GFADRO CN(C(=O)CC1(C[NH3+])CCCCC1)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000584780266 565097660 /nfs/dbraw/zinc/09/76/60/565097660.db2.gz IHUCXRRSEFKUKM-INIZCTEOSA-N 1 0 396.329 2.733 20 0 GFADRO CCS(=O)(=O)NCCC[NH2+][C@H](CCOC)c1ccc(Cl)c(Cl)c1 ZINC000584794908 565099310 /nfs/dbraw/zinc/09/93/10/565099310.db2.gz DTIDNNQRRZFEFU-OAHLLOKOSA-N 1 0 383.341 2.990 20 0 GFADRO Cc1cc(N2CC[C@@H]([NH2+]Cc3cnc4n3CCC4)C2=O)ccc1Br ZINC000657434714 565101518 /nfs/dbraw/zinc/10/15/18/565101518.db2.gz CBUFOOACTFNMIZ-MRXNPFEDSA-N 1 0 389.297 2.795 20 0 GFADRO CC(C)S(=O)(=O)c1c(Cl)cccc1NC(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000584847451 565101806 /nfs/dbraw/zinc/10/18/06/565101806.db2.gz ODVUFMIKHAZALE-ZDUSSCGKSA-N 1 0 387.933 2.985 20 0 GFADRO O=C(NCC12CCC[NH+]1CCC2)c1cc(Br)cc2c1OCCO2 ZINC000614230523 565102761 /nfs/dbraw/zinc/10/27/61/565102761.db2.gz WJZXUUNWFDFSPX-UHFFFAOYSA-N 1 0 381.270 2.579 20 0 GFADRO COc1ccc(C[C@H](CO)C[NH2+]Cc2cc3n(n2)CCC3)cc1Br ZINC000657483879 565103367 /nfs/dbraw/zinc/10/33/67/565103367.db2.gz PUTDEJXXZHQKOE-AWEZNQCLSA-N 1 0 394.313 2.541 20 0 GFADRO O=c1ccc(Br)cn1CC[NH2+]Cc1ccc(O[C@H]2CCOC2)cc1 ZINC000657476980 565103575 /nfs/dbraw/zinc/10/35/75/565103575.db2.gz IFEKKZSYBLMNPR-KRWDZBQOSA-N 1 0 393.281 2.568 20 0 GFADRO Cc1ccsc1S(=O)(=O)N(C[C@@H](O)CC(C)(C)C)C1CC[NH+](C)CC1 ZINC000685510448 565109186 /nfs/dbraw/zinc/10/91/86/565109186.db2.gz MQHVODGNCDORSI-INIZCTEOSA-N 1 0 388.599 2.939 20 0 GFADRO C[N@@H+]1CCN(CCNC(=O)c2c(Cl)cccc2Br)CC1(C)C ZINC000614449758 565113246 /nfs/dbraw/zinc/11/32/46/565113246.db2.gz HJAMWBHQFVZPJX-UHFFFAOYSA-N 1 0 388.737 2.858 20 0 GFADRO CC(C)[N@H+](C)C[C@@H](C)NS(=O)(=O)c1cc(N(C)C)ccc1Br ZINC000685603674 565114101 /nfs/dbraw/zinc/11/41/01/565114101.db2.gz KDBJXHWMZMCVBC-GFCCVEGCSA-N 1 0 392.363 2.522 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)[C@@]12CCC(=O)N1c1cc(Cl)ccc1S2 ZINC000586764630 565114666 /nfs/dbraw/zinc/11/46/66/565114666.db2.gz SARPSKNZZYDZCS-XIKOKIGWSA-N 1 0 377.897 2.622 20 0 GFADRO O=C(CCn1cc(Br)cn1)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000614520734 565117840 /nfs/dbraw/zinc/11/78/40/565117840.db2.gz XAPHJQPQEVDOLS-OAHLLOKOSA-N 1 0 395.301 2.972 20 0 GFADRO O=C(CCn1cc(Br)cn1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000614548049 565119359 /nfs/dbraw/zinc/11/93/59/565119359.db2.gz NQZKBDXRIMUQAE-UHFFFAOYSA-N 1 0 391.313 2.770 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2Cc1cn2ccc(Br)cc2n1 ZINC000685838927 565125694 /nfs/dbraw/zinc/12/56/94/565125694.db2.gz QPHFISFZGRYSDW-IXDOHACOSA-N 1 0 393.329 2.780 20 0 GFADRO CC(C)[C@@H](O)[C@@H]([NH2+]Cc1ccc(S(N)(=O)=O)c(Cl)c1)c1ccccc1 ZINC000657749078 565126064 /nfs/dbraw/zinc/12/60/64/565126064.db2.gz XYNURCBDFJBEQZ-ZWKOTPCHSA-N 1 0 382.913 2.835 20 0 GFADRO COc1cc(C[NH2+]CC(C)(C)[C@]2(O)CCCOC2)cc(Br)c1O ZINC000657765835 565128438 /nfs/dbraw/zinc/12/84/38/565128438.db2.gz JPZCNHSSMBZCBR-KRWDZBQOSA-N 1 0 388.302 2.821 20 0 GFADRO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(c2noc3ccc(Br)cc32)CC1 ZINC000685912064 565131735 /nfs/dbraw/zinc/13/17/35/565131735.db2.gz RUKASXDMBMMOQB-CQSZACIVSA-N 1 0 393.285 2.509 20 0 GFADRO Cc1cc(Br)c(Cl)cc1NC(=O)C(=O)N(C)CCC[NH+](C)C ZINC000657818795 565132258 /nfs/dbraw/zinc/13/22/58/565132258.db2.gz XRDCJTFAMSIRES-UHFFFAOYSA-N 1 0 390.709 2.760 20 0 GFADRO COc1cc(F)c(S(=O)(=O)NCCCC[NH+]2CCC(C)CC2)c(F)c1 ZINC000588679808 565136811 /nfs/dbraw/zinc/13/68/11/565136811.db2.gz SLQAWTSOVNKFDB-UHFFFAOYSA-N 1 0 376.469 2.764 20 0 GFADRO CC[C@H](Cc1ccc(Br)cc1)[NH2+]C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000657930140 565137887 /nfs/dbraw/zinc/13/78/87/565137887.db2.gz AGQJNWGWHFTGAI-GDBMZVCRSA-N 1 0 389.359 2.641 20 0 GFADRO COC(=O)[C@H](c1cc(Cl)cc(Cl)c1)N1CC[N@H+](CCO)C(C)(C)C1 ZINC000614924042 565138970 /nfs/dbraw/zinc/13/89/70/565138970.db2.gz ZCASJSOJNQWKKX-HNNXBMFYSA-N 1 0 375.296 2.596 20 0 GFADRO Cc1cc(Br)c(Cl)cc1NC(=O)C(=O)NC[C@@H](C)C[NH+](C)C ZINC000657964828 565140398 /nfs/dbraw/zinc/14/03/98/565140398.db2.gz AKZSJQUCSHCWMG-SECBINFHSA-N 1 0 390.709 2.663 20 0 GFADRO [NH3+]C1(CNS(=O)(=O)c2cc(Cl)c(Br)cc2F)CCCC1 ZINC000658389602 565166824 /nfs/dbraw/zinc/16/68/24/565166824.db2.gz JEWFTRSYQGIQTO-UHFFFAOYSA-N 1 0 385.686 2.791 20 0 GFADRO C[NH+]1CCC(N(Cc2ccccc2Br)C(=O)[C@H]2[C@@H]3COC[C@@H]32)CC1 ZINC000614981775 565141390 /nfs/dbraw/zinc/14/13/90/565141390.db2.gz LYGDTVYKKRBWBK-VQFNDLOPSA-N 1 0 393.325 2.764 20 0 GFADRO O=S(=O)(NCC[NH2+][C@@H]1COC2(CCC2)C1)c1cccc(Cl)c1Cl ZINC000658009456 565144880 /nfs/dbraw/zinc/14/48/80/565144880.db2.gz CSZMPHYHRAVNHB-NSHDSACASA-N 1 0 379.309 2.573 20 0 GFADRO O=C(NC[C@@H]1CCC[NH2+]C1)N1CCO[C@@H](c2cccc(Br)c2)C1 ZINC000637227166 565146050 /nfs/dbraw/zinc/14/60/50/565146050.db2.gz PDBXHMHEIWCKJK-CZUORRHYSA-N 1 0 382.302 2.532 20 0 GFADRO Cc1nnc(CCNC(=O)N[C@@H]2CCN(C)[C@H]2c2ccc(Cl)cc2)s1 ZINC000637227801 565146070 /nfs/dbraw/zinc/14/60/70/565146070.db2.gz JKGRHPQQVJHLOP-ZBFHGGJFSA-N 1 0 379.917 2.787 20 0 GFADRO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CC[C@@H](Oc2cncc(Br)c2)C1 ZINC000615125927 565146438 /nfs/dbraw/zinc/14/64/38/565146438.db2.gz DCHYHBUXVMSKBH-VNHYZAJKSA-N 1 0 382.302 2.697 20 0 GFADRO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](Oc2cncc(Br)c2)C1 ZINC000615128176 565147324 /nfs/dbraw/zinc/14/73/24/565147324.db2.gz VPBGQHYLUSJJME-GDBMZVCRSA-N 1 0 382.302 2.698 20 0 GFADRO CC(=O)N1CC[C@@H](NC(=O)N[C@@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)C1 ZINC000637294563 565149037 /nfs/dbraw/zinc/14/90/37/565149037.db2.gz YMUARFVRKHUELZ-CJNGLKHVSA-N 1 0 387.311 2.516 20 0 GFADRO CCO[C@H]1C[C@@H]([NH2+]CCNC(=O)c2ccc(Br)cn2)C12CCC2 ZINC000658092251 565149377 /nfs/dbraw/zinc/14/93/77/565149377.db2.gz LEDTYPCGYLTPJG-CABCVRRESA-N 1 0 382.302 2.511 20 0 GFADRO O=C(NCC[NH2+]C1CCC2(CCCO2)CC1)c1ccc(Br)cn1 ZINC000658091769 565149404 /nfs/dbraw/zinc/14/94/04/565149404.db2.gz HUYLPNXQBRUGRV-UHFFFAOYSA-N 1 0 382.302 2.655 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)C(=O)Nc1ccc(Br)cc1F ZINC000658122278 565151632 /nfs/dbraw/zinc/15/16/32/565151632.db2.gz TUDJOQMRJKEXSG-LLVKDONJSA-N 1 0 386.265 2.516 20 0 GFADRO OCCO[C@@]1(C[NH2+][C@H]2CCCOc3c(Cl)c(Cl)ccc32)CCOC1 ZINC000658147733 565153259 /nfs/dbraw/zinc/15/32/59/565153259.db2.gz FPGGMNTWPWTSFL-WMLDXEAASA-N 1 0 376.280 2.965 20 0 GFADRO C[C@H](C(=O)N1CCOC[C@H]1[C@@H]1CCC[N@@H+]1C)c1cccc(Br)c1 ZINC000615268676 565154217 /nfs/dbraw/zinc/15/42/17/565154217.db2.gz WYRUXOOUSAURQZ-JQFCIGGWSA-N 1 0 381.314 2.874 20 0 GFADRO C[N@@H+]1CCC[C@H]1[C@H]1COCCN1C(=O)CCc1cc(Br)ccc1F ZINC000615271897 565154641 /nfs/dbraw/zinc/15/46/41/565154641.db2.gz ZLYLQYPSAOJUGE-DLBZAZTESA-N 1 0 399.304 2.842 20 0 GFADRO C[N@@H+]1CCC[C@H]1[C@@H]1COCCN1C(=O)[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000615277725 565154667 /nfs/dbraw/zinc/15/46/67/565154667.db2.gz XUKPQDNRALFLJM-MHORFTMASA-N 1 0 393.325 2.874 20 0 GFADRO C[C@@H](CC(=O)N1CC(C[NH+]2CCN(C)CC2)C1)c1ccc(Br)cc1 ZINC000615272428 565155163 /nfs/dbraw/zinc/15/51/63/565155163.db2.gz FHYQAQODMLOTQR-HNNXBMFYSA-N 1 0 394.357 2.649 20 0 GFADRO C[N@@H+]1CCC[C@H]1[C@@H]1COCCN1C(=O)CCc1ccc(Br)cc1F ZINC000615266417 565155284 /nfs/dbraw/zinc/15/52/84/565155284.db2.gz SVSIBDZQUCCQDM-IRXDYDNUSA-N 1 0 399.304 2.842 20 0 GFADRO C[NH+](C)CCN(Cc1cccc(I)c1)C[C@H]1CCCO1 ZINC000589196257 565155425 /nfs/dbraw/zinc/15/54/25/565155425.db2.gz MGTNXQAJVINRBK-MRXNPFEDSA-N 1 0 388.293 2.834 20 0 GFADRO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1ccc(-n2cc(Br)cn2)cc1 ZINC000615314737 565157538 /nfs/dbraw/zinc/15/75/38/565157538.db2.gz VRGUAIPJURDUOI-WBMJQRKESA-N 1 0 377.286 2.799 20 0 GFADRO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)c1cn(Cc2ccc(Cl)cc2Cl)nn1 ZINC000615317319 565158030 /nfs/dbraw/zinc/15/80/30/565158030.db2.gz BUJHLNPYSPQCEU-BDJLRTHQSA-N 1 0 382.295 2.798 20 0 GFADRO COC[C@@H]1CN(C(=O)N[C@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)CCO1 ZINC000637473136 565158360 /nfs/dbraw/zinc/15/83/60/565158360.db2.gz IMDICTLMRRMTLD-XJKSGUPXSA-N 1 0 390.311 2.653 20 0 GFADRO CCS(=O)(=O)C1(C[NH2+][C@@H](C)CC(=O)N(C)Cc2ccccc2Cl)CC1 ZINC000658299621 565158772 /nfs/dbraw/zinc/15/87/72/565158772.db2.gz PCUQYDFOHOGOFM-AWEZNQCLSA-N 1 0 386.945 2.634 20 0 GFADRO CN(C[C@H]1COCCO1)C(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000637472674 565158661 /nfs/dbraw/zinc/15/86/61/565158661.db2.gz GXPCZAIHCBNORO-XJKSGUPXSA-N 1 0 390.311 2.653 20 0 GFADRO C[NH+](C)C[C@@H](NC(=O)N1CC[C@](C)(C(N)=O)C1)c1ccc(Cl)c(Cl)c1 ZINC000637472692 565159410 /nfs/dbraw/zinc/15/94/10/565159410.db2.gz HGAWFQOQAWSQCI-PBHICJAKSA-N 1 0 387.311 2.503 20 0 GFADRO CSC1(CNS(=O)(=O)c2c(C)n(C)c3ccccc32)CC[NH+](C)CC1 ZINC000589296169 565159662 /nfs/dbraw/zinc/15/96/62/565159662.db2.gz IJWIAORPWBAOQU-UHFFFAOYSA-N 1 0 381.567 2.592 20 0 GFADRO O=C(NCc1csc(C(F)(F)F)c1)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000637526716 565160100 /nfs/dbraw/zinc/16/01/00/565160100.db2.gz MDCKRHIVIPAULB-ZDUSSCGKSA-N 1 0 377.432 2.508 20 0 GFADRO C[C@H]([NH2+]CC1(O)CCC(F)(F)CC1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000658324052 565160396 /nfs/dbraw/zinc/16/03/96/565160396.db2.gz YVLCALSUZJKUML-ZDUSSCGKSA-N 1 0 376.469 2.528 20 0 GFADRO C[C@@H](NS(=O)(=O)c1cc(Cl)cc(Br)c1)[C@H]1CCC[NH2+]C1 ZINC000658364642 565161661 /nfs/dbraw/zinc/16/16/61/565161661.db2.gz DPVJMRWXFGNOTR-ZJUUUORDSA-N 1 0 381.723 2.769 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCCN(S(=O)(=O)c2cc(Cl)ccc2OC(F)(F)F)C1 ZINC000658368538 565162614 /nfs/dbraw/zinc/16/26/14/565162614.db2.gz JFSMEUMJSGLDQV-VHSXEESVSA-N 1 0 386.823 2.987 20 0 GFADRO CC(C)[C@H]([NH3+])CCN(C)S(=O)(=O)Cc1cc(F)ccc1Br ZINC000658371637 565163105 /nfs/dbraw/zinc/16/31/05/565163105.db2.gz GBSXNGSRBBAROB-CQSZACIVSA-N 1 0 381.311 2.723 20 0 GFADRO CCCOc1ccc(Br)cc1S(=O)(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000658378186 565164701 /nfs/dbraw/zinc/16/47/01/565164701.db2.gz NSXOGZWDAIJEBU-WCQYABFASA-N 1 0 391.331 2.514 20 0 GFADRO C[C@@H]1CCN(S(=O)(=O)c2cc(Cl)cc(Br)c2)C[C@H]1C[NH3+] ZINC000658382663 565165803 /nfs/dbraw/zinc/16/58/03/565165803.db2.gz VVJDVRPQMIOVBU-NXEZZACHSA-N 1 0 381.723 2.708 20 0 GFADRO COc1nc(C)c(Br)cc1C(=O)N1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000615607553 565167767 /nfs/dbraw/zinc/16/77/67/565167767.db2.gz ZIGZJKBPUWPAEY-QGZVFWFLSA-N 1 0 382.302 2.719 20 0 GFADRO COc1cc(Cl)c(S(=O)(=O)N2CCC[C@@H](C)[C@H]2CCC[NH3+])cc1OC ZINC000658399862 565167836 /nfs/dbraw/zinc/16/78/36/565167836.db2.gz DFSAYYOIVYSNRZ-TZMCWYRMSA-N 1 0 390.933 2.885 20 0 GFADRO CC[N@H+](CCO)CCNC(=O)N[C@@H](C)c1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC000637672956 565168713 /nfs/dbraw/zinc/16/87/13/565168713.db2.gz XNZIZEMHHCVSCG-JTQLQIEISA-N 1 0 388.299 2.544 20 0 GFADRO C[C@@H](CCNC(=O)C(=O)Nc1ccc(Br)c2ccccc12)[NH+](C)C ZINC000658426884 565169659 /nfs/dbraw/zinc/16/96/59/565169659.db2.gz LSROWBVGQPITKQ-LBPRGKRZSA-N 1 0 392.297 2.997 20 0 GFADRO O=C(NC[C@H]1CCC[NH2+]1)N1CCc2[nH]c3ccc(Br)cc3c2C1 ZINC000637734667 565171017 /nfs/dbraw/zinc/17/10/17/565171017.db2.gz XZXAENITHCDFKZ-GFCCVEGCSA-N 1 0 377.286 2.750 20 0 GFADRO CCN(C(=O)C(=O)Nc1cc(Br)c(C)cc1C)[C@H]1CC[N@H+](CC)C1 ZINC000658468156 565171662 /nfs/dbraw/zinc/17/16/62/565171662.db2.gz LNVSOUYGOQHEJM-AWEZNQCLSA-N 1 0 396.329 2.947 20 0 GFADRO [NH3+]CCCOC1CCN(C(=O)[C@H]2[C@@H]3c4cccc(Br)c4C[C@H]23)CC1 ZINC000637864061 565174660 /nfs/dbraw/zinc/17/46/60/565174660.db2.gz HYFKMYBPFMCBAV-CGTJXYLNSA-N 1 0 393.325 2.691 20 0 GFADRO Cc1cc(C)c(C(=O)N2CC[C@@H]3C[N@@H+](C)C[C@@H]32)cc1I ZINC000590046400 565176063 /nfs/dbraw/zinc/17/60/63/565176063.db2.gz CCVHVUJVHCLHRA-DOMZBBRYSA-N 1 0 384.261 2.684 20 0 GFADRO CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)NCc2ccc(Cl)c(Cl)c2)C1 ZINC000658651521 565181733 /nfs/dbraw/zinc/18/17/33/565181733.db2.gz CEHVIUHMGTXAFO-CQSZACIVSA-N 1 0 386.323 2.800 20 0 GFADRO O=C(N[C@H]1CCC[NH2+]C1)N(Cc1cccc(Br)c1)C1CCOCC1 ZINC000638016959 565181722 /nfs/dbraw/zinc/18/17/22/565181722.db2.gz PYGJNETXWXPFOO-INIZCTEOSA-N 1 0 396.329 2.892 20 0 GFADRO C[C@@H](NC(=O)CCC1C[NH2+]C1)c1nc(-c2ccc(Br)cc2)no1 ZINC000638042898 565182275 /nfs/dbraw/zinc/18/22/75/565182275.db2.gz GCCZEEKRPCNSKH-SNVBAGLBSA-N 1 0 379.258 2.676 20 0 GFADRO CC[C@@H](C)[NH+]1CCN(C(=O)c2cc(Br)cc3[nH]c(=O)[nH]c32)CC1 ZINC000615983304 565183114 /nfs/dbraw/zinc/18/31/14/565183114.db2.gz AAPFEEUZCNFZCD-SNVBAGLBSA-N 1 0 381.274 2.587 20 0 GFADRO O=C(c1cc(Br)cc2nc[nH]c21)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000638140642 565186085 /nfs/dbraw/zinc/18/60/85/565186085.db2.gz AIISILFDPHCYBL-BXUZGUMPSA-N 1 0 377.286 2.930 20 0 GFADRO NS(=O)(=O)c1ccc(CN2CC[C@H](OCCCc3ccccc3)C2)s1 ZINC000638150562 565186116 /nfs/dbraw/zinc/18/61/16/565186116.db2.gz QYBRPHRUWRXTAL-INIZCTEOSA-N 1 0 380.535 2.619 20 0 GFADRO CCN(CC)[C@@H](C[NH2+]Cc1ccc(S(N)(=O)=O)o1)c1ccccc1Cl ZINC000638290465 565190108 /nfs/dbraw/zinc/19/01/08/565190108.db2.gz GPDOYONVMRDFJG-INIZCTEOSA-N 1 0 385.917 2.753 20 0 GFADRO Cc1cccc(CC(=O)N2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)c1Br ZINC000638259685 565190231 /nfs/dbraw/zinc/19/02/31/565190231.db2.gz KAAMAPGMCQVXFO-QAPCUYQASA-N 1 0 381.314 2.655 20 0 GFADRO CO[C@@H]1C[NH2+][C@](C)(C(=O)N[C@H]2C[C@H](c3ccc(F)c(Br)c3)C2)C1 ZINC000638325578 565192312 /nfs/dbraw/zinc/19/23/12/565192312.db2.gz IEYJMXDNHXUKDU-MRHIQRDNSA-N 1 0 385.277 2.717 20 0 GFADRO [NH3+]C[C@@H]1Cc2ccccc2N1C(=O)c1cc(Br)cc2c1OCCO2 ZINC000658932553 565195085 /nfs/dbraw/zinc/19/50/85/565195085.db2.gz VRRKFYRHURWUDN-ZDUSSCGKSA-N 1 0 389.249 2.751 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)C[NH2+][C@@H](C)C[C@H]1CCCC(=O)N1 ZINC000638444602 565196924 /nfs/dbraw/zinc/19/69/24/565196924.db2.gz HIOZNOPWOANZQA-GXTWGEPZSA-N 1 0 382.302 2.733 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)N1CC[C@@H](C)[C@@H]([NH3+])C1 ZINC000658971674 565197238 /nfs/dbraw/zinc/19/72/38/565197238.db2.gz WLNQUBBAJQRJBQ-KFWWJZLASA-N 1 0 384.567 2.547 20 0 GFADRO CC(C)([NH3+])C(=O)N1CCc2cc(Br)c(Br)cc2C1 ZINC000658968942 565197276 /nfs/dbraw/zinc/19/72/76/565197276.db2.gz GBBXAYKGPCPVND-UHFFFAOYSA-N 1 0 376.092 2.834 20 0 GFADRO O=C(Nc1nnc(CC(F)(F)F)s1)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000659006018 565198162 /nfs/dbraw/zinc/19/81/62/565198162.db2.gz XLYVDLOOOAJFGM-LLVKDONJSA-N 1 0 377.436 2.886 20 0 GFADRO Cc1c(C(=O)N[C@@H]2CC[NH2+]C23CCC3)cnn1-c1ccc(Br)cc1 ZINC000638502323 565199116 /nfs/dbraw/zinc/19/91/16/565199116.db2.gz YVCAUPDIIXCCLE-MRXNPFEDSA-N 1 0 389.297 2.958 20 0 GFADRO CO[C@@H]1C[NH2+][C@](C)(C(=O)N[C@H](C)c2cc(F)c(Br)cc2F)C1 ZINC000638496688 565199258 /nfs/dbraw/zinc/19/92/58/565199258.db2.gz ZWPJWJNTWHLHOK-OLBFVZFUSA-N 1 0 377.229 2.672 20 0 GFADRO CCN(CC[NH3+])C(=O)c1ccccc1Sc1ccc(S(C)(=O)=O)cc1 ZINC000638520330 565200745 /nfs/dbraw/zinc/20/07/45/565200745.db2.gz WGWWKQUIEMHGKB-UHFFFAOYSA-N 1 0 378.519 2.662 20 0 GFADRO COC(=O)[C@@H]1CCC[C@@H]1[NH2+]CC(=O)N[C@H](C)c1ccc(Br)cc1 ZINC000590751237 565201072 /nfs/dbraw/zinc/20/10/72/565201072.db2.gz IRURWVVENYLGRH-DFBGVHRSSA-N 1 0 383.286 2.558 20 0 GFADRO [NH3+]C1(CNC(=O)c2ccc(Br)c(C(F)(F)F)c2)CCOCC1 ZINC000638539621 565201407 /nfs/dbraw/zinc/20/14/07/565201407.db2.gz FZNAYZTUYPKTKI-UHFFFAOYSA-N 1 0 381.192 2.706 20 0 GFADRO O=C(Nc1ccccc1Br)C(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000659090355 565201588 /nfs/dbraw/zinc/20/15/88/565201588.db2.gz HYTZYVAOADDPFZ-AWEZNQCLSA-N 1 0 394.313 2.626 20 0 GFADRO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)Nc1cc(Cl)ccc1OC(F)(F)F ZINC000659108292 565201738 /nfs/dbraw/zinc/20/17/38/565201738.db2.gz LDOYVDSDFFCXAQ-SNVBAGLBSA-N 1 0 381.782 2.667 20 0 GFADRO COc1ncc(Br)cc1CNC(=O)C[C@@H]1[NH2+]Cc2ccccc21 ZINC000638560080 565202636 /nfs/dbraw/zinc/20/26/36/565202636.db2.gz IPZAWVFVMWECLK-HNNXBMFYSA-N 1 0 376.254 2.704 20 0 GFADRO Clc1cc(Cl)cc(-c2nnc3ccc(N4C[C@H]5C[NH2+]C[C@@H]5C4)nn32)c1 ZINC000590770014 565202732 /nfs/dbraw/zinc/20/27/32/565202732.db2.gz PWAOPNZXTDYUAA-VXGBXAGGSA-N 1 0 375.263 2.754 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+]CCCc2cccc(Br)c2)s1 ZINC000638590496 565202843 /nfs/dbraw/zinc/20/28/43/565202843.db2.gz XSJADTFWXXCTCM-UHFFFAOYSA-N 1 0 389.340 2.880 20 0 GFADRO CN(C)[C@H](C(=O)N1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1)c1cccc(Cl)c1 ZINC000638561617 565203418 /nfs/dbraw/zinc/20/34/18/565203418.db2.gz WNBUWGBKDMPQLW-QEJZJMRPSA-N 1 0 377.838 2.928 20 0 GFADRO COc1nsc(C[NH2+]CC2(C(=O)N(C)C)CCCC2)c1Br ZINC000638594873 565204075 /nfs/dbraw/zinc/20/40/75/565204075.db2.gz UCKFZFIFDDCTDJ-UHFFFAOYSA-N 1 0 376.320 2.652 20 0 GFADRO CN(Cc1ccccc1Br)C(=O)CC[NH2+]CCCc1cnn(C)c1 ZINC000638596891 565204192 /nfs/dbraw/zinc/20/41/92/565204192.db2.gz SIDFBIPQMGDYRW-UHFFFAOYSA-N 1 0 393.329 2.754 20 0 GFADRO CN1CC[C@H]([NH2+]C[C@H](O)C2CCOCC2)C[C@@H]1c1ccc(Br)cc1 ZINC000638628975 565205164 /nfs/dbraw/zinc/20/51/64/565205164.db2.gz DHXDLYOZFLMENL-OTWHNJEPSA-N 1 0 397.357 2.962 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+][C@@H]2CCCN(c3ccccc3Cl)C2)cc1 ZINC000638676028 565206690 /nfs/dbraw/zinc/20/66/90/565206690.db2.gz NQHKOKDHOGATRC-OAHLLOKOSA-N 1 0 379.913 2.746 20 0 GFADRO C[C@@H]1C[C@@H](c2ccc(Br)cc2)CN1C(=O)c1cnc(C[NH3+])nc1 ZINC000638697698 565208152 /nfs/dbraw/zinc/20/81/52/565208152.db2.gz DVJNZFIGDLICCW-DGCLKSJQSA-N 1 0 375.270 2.716 20 0 GFADRO C[C@H]1C[C@H](c2ccc(Br)cc2)CN1C(=O)c1cnc(C[NH3+])nc1 ZINC000638697696 565208256 /nfs/dbraw/zinc/20/82/56/565208256.db2.gz DVJNZFIGDLICCW-AAEUAGOBSA-N 1 0 375.270 2.716 20 0 GFADRO C[C@H]1C[C@@H](NCc2ccc(S(N)(=O)=O)s2)CC[N@@H+]1Cc1ccccc1 ZINC000638720897 565208293 /nfs/dbraw/zinc/20/82/93/565208293.db2.gz LASFBOFDWMSQGT-HOCLYGCPSA-N 1 0 379.551 2.538 20 0 GFADRO O=C(c1cc(Br)ccc1F)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000638778981 565210362 /nfs/dbraw/zinc/21/03/62/565210362.db2.gz OKUISUTVGJYOGJ-CQSZACIVSA-N 1 0 385.277 2.819 20 0 GFADRO COc1nsc(C[NH2+][C@@H](CO)Cc2ccc(F)cc2)c1Br ZINC000638802332 565211545 /nfs/dbraw/zinc/21/15/45/565211545.db2.gz UCVSXUKZDHJYAL-LLVKDONJSA-N 1 0 375.263 2.747 20 0 GFADRO C[C@@H]1CN(C(=O)Cc2ccc(Br)c(Br)c2)C[C@H](C)[NH2+]1 ZINC000659297628 565211584 /nfs/dbraw/zinc/21/15/84/565211584.db2.gz WLQTVKXIJYUMDX-AOOOYVTPSA-N 1 0 390.119 2.963 20 0 GFADRO O=C(Cc1ccc(Br)cc1F)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000638787098 565211840 /nfs/dbraw/zinc/21/18/40/565211840.db2.gz ZWOOOQJJSFMLJA-INIZCTEOSA-N 1 0 399.304 2.748 20 0 GFADRO COc1ccc(Br)cc1C(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000638782282 565211995 /nfs/dbraw/zinc/21/19/95/565211995.db2.gz RDTWQQJEPSCLRO-OAHLLOKOSA-N 1 0 397.313 2.688 20 0 GFADRO CC(C)OC[C@H]([NH3+])C(=O)N1CCC(Oc2cccc(Br)c2)CC1 ZINC000659316162 565212769 /nfs/dbraw/zinc/21/27/69/565212769.db2.gz CIWHSESFMUPRGD-INIZCTEOSA-N 1 0 385.302 2.571 20 0 GFADRO [NH3+][C@@H]1CCCCCN(C(=O)[C@@H]2CCO[C@H]2c2cncc(Br)c2)C1 ZINC000638815892 565212895 /nfs/dbraw/zinc/21/28/95/565212895.db2.gz PDNHYTLJLQGBGH-OAGGEKHMSA-N 1 0 382.302 2.652 20 0 GFADRO [NH3+][C@H]1CCCCCN(C(=O)C2CCN(C(=O)c3ccc(Cl)s3)CC2)C1 ZINC000638820788 565212902 /nfs/dbraw/zinc/21/29/02/565212902.db2.gz GFGKWRPOZBHJIN-AWEZNQCLSA-N 1 0 383.945 2.984 20 0 GFADRO C[C@H]1CCCN(C(=O)c2cc(Br)cc3c2OCCO3)[C@@H]1CC[NH3+] ZINC000659330067 565213483 /nfs/dbraw/zinc/21/34/83/565213483.db2.gz ZQJMWDHJSAZLNE-SMDDNHRTSA-N 1 0 383.286 2.810 20 0 GFADRO O=C(N[C@H]1C[NH2+]CC[C@H]1c1cccc(F)c1)c1ccncc1Br ZINC000659351654 565214013 /nfs/dbraw/zinc/21/40/13/565214013.db2.gz LJTULYAVYFANNZ-BBRMVZONSA-N 1 0 378.245 2.859 20 0 GFADRO COC[C@@]1(C(=O)Nc2cc(OC)c(Br)cc2Cl)CC[NH2+]C1 ZINC000659380939 565215220 /nfs/dbraw/zinc/21/52/20/565215220.db2.gz FVBBBHPWTJIOQY-CQSZACIVSA-N 1 0 377.666 2.676 20 0 GFADRO [NH3+][C@@H]1CN(C(=O)CCOc2ccc(Cl)cc2Br)CC[C@H]1F ZINC000659389793 565215304 /nfs/dbraw/zinc/21/53/04/565215304.db2.gz ZMSHSRVPEBUCJK-VXGBXAGGSA-N 1 0 379.657 2.769 20 0 GFADRO Cn1cc(CCC[NH2+]Cc2nnc(-c3ccc(Br)cc3)[nH]2)cn1 ZINC000638884241 565215276 /nfs/dbraw/zinc/21/52/76/565215276.db2.gz BLBWBRGUNRUTSH-UHFFFAOYSA-N 1 0 375.274 2.690 20 0 GFADRO O=C(Cc1ccccc1Br)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000591165224 565217486 /nfs/dbraw/zinc/21/74/86/565217486.db2.gz YKNADIOYALBXSU-INIZCTEOSA-N 1 0 381.314 2.705 20 0 GFADRO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)c1ccc(NC(=O)c2ccc(Br)o2)cc1 ZINC000638935610 565218445 /nfs/dbraw/zinc/21/84/45/565218445.db2.gz ANZVHISYOGINOV-ZYHUDNBSSA-N 1 0 392.253 2.856 20 0 GFADRO C[C@]1(CNC(=O)N2CCOC[C@@H]2c2ccc(Br)cc2)CCC[NH2+]C1 ZINC000659530358 565218860 /nfs/dbraw/zinc/21/88/60/565218860.db2.gz QFUQMTKHZZFUGB-AEFFLSMTSA-N 1 0 396.329 2.922 20 0 GFADRO C[C@@H](NC(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1)c1ncc(Br)cn1 ZINC000659496556 565218944 /nfs/dbraw/zinc/21/89/44/565218944.db2.gz RGYFYXYKPCQCRW-TZMCWYRMSA-N 1 0 396.333 2.721 20 0 GFADRO C[C@@H]([NH2+]C[C@H]1CCCNC1=O)c1ccc(F)c(I)c1 ZINC000591244725 565219724 /nfs/dbraw/zinc/21/97/24/565219724.db2.gz DLAJWTFYVBLUAJ-MWLCHTKSSA-N 1 0 376.213 2.607 20 0 GFADRO CC(C)Oc1cc(NC(=O)c2cn(CCCC[NH3+])nn2)ccc1Br ZINC000638971690 565219842 /nfs/dbraw/zinc/21/98/42/565219842.db2.gz CRPDWDOYJORCOC-UHFFFAOYSA-N 1 0 396.289 2.819 20 0 GFADRO [NH3+]C[C@@H]1CC[C@H](NC(=O)N2CCOC[C@@H]2c2ccc(Br)cc2)C1 ZINC000659555326 565219777 /nfs/dbraw/zinc/21/97/77/565219777.db2.gz PSGMUPUXDKICPQ-UHOFOFEASA-N 1 0 382.302 2.659 20 0 GFADRO O=C(NCCC1=CC[NH2+]CC1)N1CCN(c2ccc(Br)cc2)CC1 ZINC000659536951 565220018 /nfs/dbraw/zinc/22/00/18/565220018.db2.gz BFJMUIPZCVYBNJ-UHFFFAOYSA-N 1 0 393.329 2.591 20 0 GFADRO C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000639028246 565220961 /nfs/dbraw/zinc/22/09/61/565220961.db2.gz XQVKIOWJAFJFKS-ZOWXZIJZSA-N 1 0 384.307 2.712 20 0 GFADRO CC(C)[C@H]([NH3+])CCNC(=O)N1CCO[C@@H](c2cccc(Br)c2)C1 ZINC000659625522 565221379 /nfs/dbraw/zinc/22/13/79/565221379.db2.gz VZEHSEAHKATNMQ-HZPDHXFCSA-N 1 0 384.318 2.905 20 0 GFADRO O=C(Nc1ccc(F)cc1I)N[C@H]1CCC[NH2+]CC1 ZINC000591288421 565221852 /nfs/dbraw/zinc/22/18/52/565221852.db2.gz MWAZLVSZRSAECO-JTQLQIEISA-N 1 0 377.201 2.694 20 0 GFADRO O=C(NCc1ccc(Cl)c(Cl)c1)C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000659737383 565222302 /nfs/dbraw/zinc/22/23/02/565222302.db2.gz UBPXNJJUAUBQAP-MRXNPFEDSA-N 1 0 384.307 2.600 20 0 GFADRO CC[C@@H]1CN(C(=O)Nc2cccc(C(=O)OC)c2Br)CC[C@H]1[NH3+] ZINC000591302006 565222494 /nfs/dbraw/zinc/22/24/94/565222494.db2.gz LBZMWWQIBKMBHI-ZYHUDNBSSA-N 1 0 384.274 2.827 20 0 GFADRO COCCN(CC[NH+](C)C)C(=O)[C@H](C)Oc1ccc(C)cc1Br ZINC000591302160 565222805 /nfs/dbraw/zinc/22/28/05/565222805.db2.gz MSVMZEOMTBZXRK-AWEZNQCLSA-N 1 0 387.318 2.561 20 0 GFADRO Cc1cc(Br)cn2cc(CC[NH2+][C@H](C)C[C@@H]3CCCC(=O)N3)nc12 ZINC000639060572 565223063 /nfs/dbraw/zinc/22/30/63/565223063.db2.gz NLTXZULIICJDFH-HIFRSBDPSA-N 1 0 393.329 2.985 20 0 GFADRO COC(=O)c1cc(NC(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)c(C)cc1Br ZINC000591306866 565224158 /nfs/dbraw/zinc/22/41/58/565224158.db2.gz SXSAIZFJSKNQDJ-IAQYHMDHSA-N 1 0 396.285 2.760 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CN(C(=O)NCCSCc2ccc(Cl)cc2Cl)CCO1 ZINC000591356297 565227158 /nfs/dbraw/zinc/22/71/58/565227158.db2.gz NHEWTCIYFSDFHO-ABAIWWIYSA-N 1 0 392.352 2.984 20 0 GFADRO CC[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000591459043 565231055 /nfs/dbraw/zinc/23/10/55/565231055.db2.gz YKBNCPCYINEBNY-WMZOPIPTSA-N 1 0 394.357 2.996 20 0 GFADRO CC[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000591459040 565231162 /nfs/dbraw/zinc/23/11/62/565231162.db2.gz YKBNCPCYINEBNY-AEFFLSMTSA-N 1 0 394.357 2.996 20 0 GFADRO CC(C)OCCOC1CC[NH+](Cc2cnn3cc(Br)cnc23)CC1 ZINC000639238558 565235012 /nfs/dbraw/zinc/23/50/12/565235012.db2.gz BCOVZNHFKCUOKB-UHFFFAOYSA-N 1 0 397.317 2.898 20 0 GFADRO NS(=O)(=O)c1ccc(C[N@H+](Cc2ccccc2)[C@H](CO)C2CCC2)s1 ZINC000639294619 565237342 /nfs/dbraw/zinc/23/73/42/565237342.db2.gz ATFFGYGKOFYGJO-QGZVFWFLSA-N 1 0 380.535 2.559 20 0 GFADRO CO[C@@]1(C[NH2+]C2CCN(Cc3cccc(Br)c3)CC2)CCOC1 ZINC000639273262 565237390 /nfs/dbraw/zinc/23/73/90/565237390.db2.gz MJMCGSBQUARKIH-GOSISDBHSA-N 1 0 383.330 2.809 20 0 GFADRO C[C@@H]1C[N@@H+](CCN2CCN(Cc3ccc(Br)cc3)CC2)C[C@H](C)O1 ZINC000660010133 565237712 /nfs/dbraw/zinc/23/77/12/565237712.db2.gz FDHXWUKXWDIOHJ-CALCHBBNSA-N 1 0 396.373 2.676 20 0 GFADRO Cc1cc(NC(=O)C[NH2+][C@H](C)C[C@@H]2CCCC(=O)N2)ccc1Br ZINC000639273353 565238171 /nfs/dbraw/zinc/23/81/71/565238171.db2.gz BIMGVJXPLXCPOR-OLZOCXBDSA-N 1 0 382.302 2.733 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+]C[C@H]2CCN(c3ccccc3Cl)C2)s1 ZINC000639302649 565238965 /nfs/dbraw/zinc/23/89/65/565238965.db2.gz GFEGLSXTUNZKCT-GFCCVEGCSA-N 1 0 385.942 2.665 20 0 GFADRO C[S@@](=O)c1ccc(C[NH2+]C[C@@H](O)COc2ccc(Br)cc2)cc1 ZINC000591750157 565239319 /nfs/dbraw/zinc/23/93/19/565239319.db2.gz UWVVRCATVMPMSS-IQMFZBJNSA-N 1 0 398.322 2.716 20 0 GFADRO Cc1cnc(NC2CC[NH+]([C@H]3CCOC3)CC2)c(I)c1 ZINC000591821503 565241336 /nfs/dbraw/zinc/24/13/36/565241336.db2.gz KGWGCFCWLYLIJL-ZDUSSCGKSA-N 1 0 387.265 2.660 20 0 GFADRO Cc1ccc(Cl)c(S(=O)(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)c1Cl ZINC000660090873 565250852 /nfs/dbraw/zinc/25/08/52/565250852.db2.gz KZIGCBCJOPMXDH-ZDUSSCGKSA-N 1 0 393.336 2.522 20 0 GFADRO CC(=O)NCC[N@H+](Cc1ccc(Br)s1)C[C@H]1CCO[C@@H]1C ZINC000639629411 565252322 /nfs/dbraw/zinc/25/23/22/565252322.db2.gz VKDGZDYVMOWOFT-DGCLKSJQSA-N 1 0 375.332 2.874 20 0 GFADRO COCC[N@@H+]1CCC[C@H](NC(=O)c2ccc(Br)cc2Cl)C1 ZINC000592092656 565255134 /nfs/dbraw/zinc/25/51/34/565255134.db2.gz BCRRINPZIKFMAG-LBPRGKRZSA-N 1 0 375.694 2.943 20 0 GFADRO C[C@H](CCNC(=O)[C@H](c1ccc(Cl)cc1Cl)N1CCOCC1)[NH+](C)C ZINC000617753392 565256712 /nfs/dbraw/zinc/25/67/12/565256712.db2.gz BKANYBNWSNJAJY-DYVFJYSZSA-N 1 0 388.339 2.823 20 0 GFADRO CN(CCC[NH+](C)C)CCNC(=O)CSc1cccc(Br)c1 ZINC000617765813 565258014 /nfs/dbraw/zinc/25/80/14/565258014.db2.gz RBNCRJSAKSIFOZ-UHFFFAOYSA-N 1 0 388.375 2.541 20 0 GFADRO O=C(CC[N@H+]1CC[C@H](Oc2cncc(Br)c2)C1)Nc1cccnc1 ZINC000639776459 565259346 /nfs/dbraw/zinc/25/93/46/565259346.db2.gz MRGRYJQCGSSQTF-HNNXBMFYSA-N 1 0 391.269 2.721 20 0 GFADRO CC(C)[C@H]1CN(C(=O)c2ccc(F)cc2I)CC[NH2+]1 ZINC000592246899 565265008 /nfs/dbraw/zinc/26/50/08/565265008.db2.gz PIALQTCUZMDXLM-CYBMUJFWSA-N 1 0 376.213 2.500 20 0 GFADRO O=C(C[C@@H]1CC[NH2+]C1)NCc1ccc(I)c(Cl)c1 ZINC000592276325 565265851 /nfs/dbraw/zinc/26/58/51/565265851.db2.gz DIARVLXYGLAFIU-JTQLQIEISA-N 1 0 378.641 2.560 20 0 GFADRO C[N@@H+](Cc1ccc(Br)cc1F)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000639921447 565269035 /nfs/dbraw/zinc/26/90/35/565269035.db2.gz OHYZNGKPWYPJSH-LBPRGKRZSA-N 1 0 393.322 2.692 20 0 GFADRO Ic1ccc2[nH]nc(-c3nc([C@@H]4CCC[NH2+]4)no3)c2c1 ZINC000592357319 565271737 /nfs/dbraw/zinc/27/17/37/565271737.db2.gz WEDDLBKAVWELCH-JTQLQIEISA-N 1 0 381.177 2.642 20 0 GFADRO CO[C@H]1CN(Cc2nc(-c3ccc(Br)s3)no2)[C@](C)(CO)C1 ZINC000639998518 565273450 /nfs/dbraw/zinc/27/34/50/565273450.db2.gz CZBYBOMSFACACZ-OTYXRUKQSA-N 1 0 388.287 2.532 20 0 GFADRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)Nc1cc(F)c(I)c(F)c1 ZINC000592422797 565275643 /nfs/dbraw/zinc/27/56/43/565275643.db2.gz NAKALAPVDIXQNC-RNFRBKRXSA-N 1 0 383.180 2.817 20 0 GFADRO C[C@@H](CCc1ccc(I)cc1)CC(=O)N1CC[NH2+]CC1 ZINC000592444998 565276347 /nfs/dbraw/zinc/27/63/47/565276347.db2.gz CYQNDXKSEKMKJJ-ZDUSSCGKSA-N 1 0 386.277 2.682 20 0 GFADRO Fc1ccc(I)c(F)c1CN1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000592432515 565276749 /nfs/dbraw/zinc/27/67/49/565276749.db2.gz OALQVQZEXCYLOX-ZANVPECISA-N 1 0 378.204 2.753 20 0 GFADRO C[C@@H]1CN(CC[NH+]2CCN(c3cccc(Br)c3)CC2)C[C@H](C)O1 ZINC000660496969 565278892 /nfs/dbraw/zinc/27/88/92/565278892.db2.gz SWXWUKCSOCAOCZ-IYBDPMFKSA-N 1 0 382.346 2.680 20 0 GFADRO C[C@@H](Cc1ccc(Br)cc1)NC(=O)c1cnn2c1[C@H](C[NH3+])CCC2 ZINC000592495007 565279001 /nfs/dbraw/zinc/27/90/01/565279001.db2.gz NHRXSCCRCDFVDH-JSGCOSHPSA-N 1 0 391.313 2.843 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C(=O)N(C)CC1C[NH+](C)C1 ZINC000618191938 565279276 /nfs/dbraw/zinc/27/92/76/565279276.db2.gz XVZGRBBSZKLUJJ-UHFFFAOYSA-N 1 0 377.286 2.577 20 0 GFADRO Cc1nnc(CN(C)C(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)s1 ZINC000660513959 565280095 /nfs/dbraw/zinc/28/00/95/565280095.db2.gz JRBXUPVIWZQZJE-CQSZACIVSA-N 1 0 379.555 2.962 20 0 GFADRO Cc1cccc(I)c1C(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000592552659 565282083 /nfs/dbraw/zinc/28/20/83/565282083.db2.gz HNRADWNVIMGCBT-MRXNPFEDSA-N 1 0 384.261 2.815 20 0 GFADRO Cc1nn(C)c(NC(=O)N2CC([N@H+](C)Cc3ccccc3)C2)c1Br ZINC000640168632 565284701 /nfs/dbraw/zinc/28/47/01/565284701.db2.gz RHQBHIAXTNUENL-UHFFFAOYSA-N 1 0 392.301 2.839 20 0 GFADRO O=C(C[N@H+]1CC[C@@H](O)C12CCCC2)c1c[nH]c2ncc(Br)cc12 ZINC000660628864 565285548 /nfs/dbraw/zinc/28/55/48/565285548.db2.gz PEKXPGUQYMMIOH-OAHLLOKOSA-N 1 0 378.270 2.888 20 0 GFADRO CSC1(CNC(=O)C[C@@H](C)n2cc(Br)cn2)CC[NH+](C)CC1 ZINC000592633034 565286330 /nfs/dbraw/zinc/28/63/30/565286330.db2.gz RDALWQWFFNOSNN-GFCCVEGCSA-N 1 0 389.363 2.540 20 0 GFADRO COCC1([NH2+]CCC(=O)Nc2ccc(Br)cc2F)CCOCC1 ZINC000660637096 565286615 /nfs/dbraw/zinc/28/66/15/565286615.db2.gz ZUBHDFFQKIRBKJ-UHFFFAOYSA-N 1 0 389.265 2.702 20 0 GFADRO COCC1([NH2+]CC(=O)N[C@H](C)c2ccc(Cl)c(Cl)c2)CCOCC1 ZINC000660631690 565286649 /nfs/dbraw/zinc/28/66/49/565286649.db2.gz YJELJKFXDCMLAJ-GFCCVEGCSA-N 1 0 375.296 2.956 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2nn(CC(F)(F)F)cc2Cl)[C@@H](C)C1 ZINC000640295276 565295017 /nfs/dbraw/zinc/29/50/17/565295017.db2.gz TUFBHERAUBEDMR-JQWIXIFHSA-N 1 0 381.830 3.293 20 0 GFADRO C[N@@H+]1CCC[C@H](CNC(=O)N2CCN(c3ccc(Br)cc3)CC2)C1 ZINC000660843823 565295756 /nfs/dbraw/zinc/29/57/56/565295756.db2.gz BOXDBMCOVROMGJ-OAHLLOKOSA-N 1 0 395.345 2.623 20 0 GFADRO C[C@H]1C[C@H](NC(=O)N2CCOc3cc(Br)ccc3C2)CC[N@@H+]1C ZINC000660857652 565297262 /nfs/dbraw/zinc/29/72/62/565297262.db2.gz UQKSIRVEPBEERJ-SWLSCSKDSA-N 1 0 382.302 2.836 20 0 GFADRO C[C@@H]([NH2+]C(C)(C)CNC(=O)Nc1nn(C)cc1Br)c1ccccc1 ZINC000640326903 565301933 /nfs/dbraw/zinc/30/19/33/565301933.db2.gz OEBZXDBANQXFBI-GFCCVEGCSA-N 1 0 394.317 3.434 20 0 GFADRO CC(C)[NH2+][C@@H]1CCCN(C(=O)Nc2nnc(C(F)(F)C(F)(F)F)s2)C1 ZINC000640385068 565305037 /nfs/dbraw/zinc/30/50/37/565305037.db2.gz XTVMCMWVKRGGAY-MRVPVSSYSA-N 1 0 387.378 3.187 20 0 GFADRO O=C(CC[N@@H+](CCOCCO)C1CCC1)Nc1ccccc1Br ZINC000661100717 565306531 /nfs/dbraw/zinc/30/65/31/565306531.db2.gz ICKRWQLEMPDRGI-UHFFFAOYSA-N 1 0 385.302 2.641 20 0 GFADRO OC[C@H]([NH2+]Cc1nnnn1-c1ccc(Cl)cc1C(F)(F)F)C1CCC1 ZINC000661153496 565310172 /nfs/dbraw/zinc/31/01/72/565310172.db2.gz IEECSAMGGAHPFK-LBPRGKRZSA-N 1 0 375.782 2.585 20 0 GFADRO COC[C@H]([NH2+]CC(=O)N[C@H](C)c1ccc(Br)cc1)C1CCOCC1 ZINC000661158564 565311648 /nfs/dbraw/zinc/31/16/48/565311648.db2.gz BQAZDUWWXADCPE-DYVFJYSZSA-N 1 0 399.329 2.658 20 0 GFADRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)CCn2cc(Br)cn2)C1 ZINC000618685596 565311956 /nfs/dbraw/zinc/31/19/56/565311956.db2.gz BQCJQWGKKYHJEW-OKILXGFUSA-N 1 0 385.350 2.908 20 0 GFADRO C[C@@H](NC(=O)NC[C@H]1CCC[N@H+](CC2CC2)C1)c1ncc(Br)cn1 ZINC000661234788 565314742 /nfs/dbraw/zinc/31/47/42/565314742.db2.gz IBQGORMCYHLAMX-TZMCWYRMSA-N 1 0 396.333 2.721 20 0 GFADRO CC(=O)N[C@H](CC(=O)N[C@H](C)C[N@@H+](C)C(C)C)c1ccc(Br)cc1 ZINC000640704201 565321455 /nfs/dbraw/zinc/32/14/55/565321455.db2.gz MXMMJFUXSKWXAJ-CXAGYDPISA-N 1 0 398.345 2.861 20 0 GFADRO C[C@@H](CO)[C@@H]1CCCC[N@@H+]1CC(=O)c1c[nH]c2ncc(Br)cc12 ZINC000661440409 565323548 /nfs/dbraw/zinc/32/35/48/565323548.db2.gz HGRDAUXMMUHOSG-NHYWBVRUSA-N 1 0 380.286 2.991 20 0 GFADRO COCC[C@@H]([NH3+])Cc1cn([C@H](C)C(=O)Nc2ccc(Cl)cc2Cl)nn1 ZINC000640782070 565326184 /nfs/dbraw/zinc/32/61/84/565326184.db2.gz KPRKSUMVTOGJME-ZYHUDNBSSA-N 1 0 386.283 2.691 20 0 GFADRO COCC[NH2+]CCc1cn([C@@H](C)C(=O)Nc2cccc(Cl)c2Cl)nn1 ZINC000640780279 565326225 /nfs/dbraw/zinc/32/62/25/565326225.db2.gz GEEPQECEDZVORN-NSHDSACASA-N 1 0 386.283 2.563 20 0 GFADRO COCC[NH2+]CCc1cn([C@@H](C)C(=O)Nc2ccc(Cl)cc2Cl)nn1 ZINC000640782379 565326414 /nfs/dbraw/zinc/32/64/14/565326414.db2.gz MZMKRXFYZNVQBQ-NSHDSACASA-N 1 0 386.283 2.563 20 0 GFADRO COCC[C@@H]([NH3+])Cc1cn([C@@H](C)C(=O)Nc2cccc(Cl)c2Cl)nn1 ZINC000640780465 565326475 /nfs/dbraw/zinc/32/64/75/565326475.db2.gz IATLDAFONLDGPV-WDEREUQCSA-N 1 0 386.283 2.691 20 0 GFADRO COc1cc(Br)ccc1CCC[N@@H+]1CC[C@@H]2NC(=O)CC[C@H]2C1 ZINC000661599818 565330526 /nfs/dbraw/zinc/33/05/26/565330526.db2.gz FJHFDYZOLOFCHM-HOCLYGCPSA-N 1 0 381.314 2.991 20 0 GFADRO Cc1cc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H]3NC(=O)CC[C@H]3C2)ccc1Br ZINC000661598570 565330736 /nfs/dbraw/zinc/33/07/36/565330736.db2.gz PSZBTGLFUNPCSH-XEZPLFJOSA-N 1 0 394.313 2.685 20 0 GFADRO CN(c1ncnc2cc(I)sc21)[C@@H]1CCC[N@H+](C)C1 ZINC000593464682 565333774 /nfs/dbraw/zinc/33/37/74/565333774.db2.gz KRSBATBKDHNUNY-SECBINFHSA-N 1 0 388.278 2.826 20 0 GFADRO [NH3+][C@@H](c1cn(CCO[C@H]2CCCCO2)nn1)c1ccc(Br)cc1 ZINC000640940648 565338658 /nfs/dbraw/zinc/33/86/58/565338658.db2.gz FIOBVWSHEJIMPV-JKSUJKDBSA-N 1 0 381.274 2.632 20 0 GFADRO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)Cn1cc(C2CC[NH2+]CC2)nn1 ZINC000640983880 565339974 /nfs/dbraw/zinc/33/99/74/565339974.db2.gz BKQKIWCCHLURAO-UHFFFAOYSA-N 1 0 382.295 2.711 20 0 GFADRO O=C(N[C@H]1CCC[NH2+]CC1)N1CCO[C@H](c2cccc(Br)c2)C1 ZINC000641053219 565343725 /nfs/dbraw/zinc/34/37/25/565343725.db2.gz QSKUVYJQYBXZQN-HOTGVXAUSA-N 1 0 382.302 2.674 20 0 GFADRO [NH3+][C@H](c1cn(CCOc2ccccc2Br)nn1)C1CCOCC1 ZINC000641058007 565343997 /nfs/dbraw/zinc/34/39/97/565343997.db2.gz IRZQMIBIECRWIX-INIZCTEOSA-N 1 0 381.274 2.546 20 0 GFADRO O=C(CC[N@@H+]1CC[C@@H](CN2CCCC2=O)C1)Nc1ccccc1Br ZINC000662051649 565347737 /nfs/dbraw/zinc/34/77/37/565347737.db2.gz CPPBVBVSNALYDL-CQSZACIVSA-N 1 0 394.313 2.722 20 0 GFADRO [NH3+]C1CCN(CCc2cn(Cc3cc(Cl)ccc3Br)nn2)CC1 ZINC000641126773 565348122 /nfs/dbraw/zinc/34/81/22/565348122.db2.gz PQZRLMYRVMUCKQ-UHFFFAOYSA-N 1 0 398.736 2.708 20 0 GFADRO CC(C)CC1([NH2+]CC(=O)Nc2ccc(Cl)c(S(=O)(=O)N(C)C)c2)CC1 ZINC000662070047 565348502 /nfs/dbraw/zinc/34/85/02/565348502.db2.gz PUUSNGPOJVBLEK-UHFFFAOYSA-N 1 0 387.933 2.697 20 0 GFADRO CC[C@H](c1ccc(Br)cc1)n1cc(Cn2cc(C[NH3+])cn2)nn1 ZINC000641133379 565349819 /nfs/dbraw/zinc/34/98/19/565349819.db2.gz DEQRSRHBLXWITQ-MRXNPFEDSA-N 1 0 375.274 2.744 20 0 GFADRO O[C@@H]1CC[N@@H+](C2CCN(Cc3nc4ccc(Br)cc4o3)CC2)C1 ZINC000662152719 565350936 /nfs/dbraw/zinc/35/09/36/565350936.db2.gz YEODMQFGCBHCNV-CQSZACIVSA-N 1 0 380.286 2.621 20 0 GFADRO COc1cc(Br)ccc1CCCN1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000662153980 565352418 /nfs/dbraw/zinc/35/24/18/565352418.db2.gz VNJPDYWHIOUOAD-GOSISDBHSA-N 1 0 397.357 2.921 20 0 GFADRO C[C@@H](C(=O)Nc1cc(Cl)ccc1Cl)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000662157812 565353011 /nfs/dbraw/zinc/35/30/11/565353011.db2.gz QOYMFUNVPJFCBD-WFASDCNBSA-N 1 0 386.323 2.851 20 0 GFADRO C[C@H](Cn1cncn1)[NH2+]Cc1ccc(I)cc1Cl ZINC000619715216 565356075 /nfs/dbraw/zinc/35/60/75/565356075.db2.gz FMAUIGMHWRDBHB-SECBINFHSA-N 1 0 376.629 2.714 20 0 GFADRO C[NH+]1CCC(N(Cc2ccco2)S(=O)(=O)C[C@H]2C(C)(C)C2(F)F)CC1 ZINC000641267105 565356504 /nfs/dbraw/zinc/35/65/04/565356504.db2.gz PNZPIVBLRHSKAD-HNNXBMFYSA-N 1 0 376.469 2.797 20 0 GFADRO [NH3+]C[C@@H]1CN(Cc2cccc(OCC(F)(F)F)c2Br)CCO1 ZINC000662267423 565357646 /nfs/dbraw/zinc/35/76/46/565357646.db2.gz VFOPLOLALFKTPO-LLVKDONJSA-N 1 0 383.208 2.550 20 0 GFADRO C[C@@H]([NH2+]CC[C@]1(O)CCOC1)c1ccc(F)c(I)c1 ZINC000593725307 565358405 /nfs/dbraw/zinc/35/84/05/565358405.db2.gz XUIVRUKICSJWIO-YGRLFVJLSA-N 1 0 379.213 2.622 20 0 GFADRO NC(=O)c1cccc2c1CC[N@H+](CCOc1ccc(Br)cc1)C2 ZINC000662302051 565358888 /nfs/dbraw/zinc/35/88/88/565358888.db2.gz WKLFTPQABDQSQH-UHFFFAOYSA-N 1 0 375.266 2.985 20 0 GFADRO CC(C)([NH3+])c1noc(CN2CCOC[C@H]2c2ccc(Br)cc2)n1 ZINC000662305530 565359289 /nfs/dbraw/zinc/35/92/89/565359289.db2.gz IMRKBFYGUONSLV-ZDUSSCGKSA-N 1 0 381.274 2.599 20 0 GFADRO [NH3+]C[C@]12CCC[C@H]1CN(C(=O)Nc1ccc(I)cc1)C2 ZINC000593759014 565359521 /nfs/dbraw/zinc/35/95/21/565359521.db2.gz RJBONCRPFYKIRS-NHYWBVRUSA-N 1 0 385.249 2.884 20 0 GFADRO C[C@H](C(=O)Nc1ccccc1Br)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662320551 565360914 /nfs/dbraw/zinc/36/09/14/565360914.db2.gz VAUFXXFQPFKYGK-CABCVRRESA-N 1 0 398.345 2.819 20 0 GFADRO CN(C[C@@H]1COc2ccccc2O1)C(=O)[C@H](N)c1ccccc1Br ZINC000662347068 565361792 /nfs/dbraw/zinc/36/17/92/565361792.db2.gz YLQSWXASVLNBIK-SJKOYZFVSA-N 1 0 391.265 2.747 20 0 GFADRO CN(Cc1nc(-c2cc(Br)cs2)no1)[C@@H](C[NH3+])C(F)(F)F ZINC000662330329 565361901 /nfs/dbraw/zinc/36/19/01/565361901.db2.gz YYFGBYFQKUASRW-QMMMGPOBSA-N 1 0 385.209 2.882 20 0 GFADRO CCC[N@@H+]1CC[C@H](NC(=O)c2cnn(-c3ccc(Br)cc3)c2)C1 ZINC000619893726 565361985 /nfs/dbraw/zinc/36/19/85/565361985.db2.gz JZZKDUHVBUKDOK-HNNXBMFYSA-N 1 0 377.286 2.849 20 0 GFADRO O=C(c1cc(Br)cc2c1OCCO2)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000662337381 565362357 /nfs/dbraw/zinc/36/23/57/565362357.db2.gz ACVUDAXACLYILA-DOMZBBRYSA-N 1 0 395.297 2.825 20 0 GFADRO O=C(Cc1ccc(Br)c(Br)c1)N1CCC[NH2+]CC1 ZINC000662397095 565366632 /nfs/dbraw/zinc/36/66/32/565366632.db2.gz UYAKIOBUPCTXKS-UHFFFAOYSA-N 1 0 376.092 2.576 20 0 GFADRO CN(Cc1cc(Br)ccc1F)C(=O)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC000662429092 565367209 /nfs/dbraw/zinc/36/72/09/565367209.db2.gz IOYSZAYFYGNNOT-SNVBAGLBSA-N 1 0 381.249 2.660 20 0 GFADRO O=C(Nc1cc(F)c(I)c(F)c1)[C@@H]1CCC[NH2+]CC1 ZINC000593903608 565367883 /nfs/dbraw/zinc/36/78/83/565367883.db2.gz HZJGLZBTOLMFRO-MRVPVSSYSA-N 1 0 380.176 2.898 20 0 GFADRO CN(Cc1ccccc1Br)C(=O)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC000662441559 565368772 /nfs/dbraw/zinc/36/87/72/565368772.db2.gz PHONDNSFGZHODL-AWEZNQCLSA-N 1 0 392.301 2.627 20 0 GFADRO O=C(c1cc(-c2ccc(Br)cc2)no1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000662515419 565373474 /nfs/dbraw/zinc/37/34/74/565373474.db2.gz RGHZQYXOSOKVNY-KRWDZBQOSA-N 1 0 376.254 2.930 20 0 GFADRO C[C@H](NC(=O)[C@@H]1[NH2+]CCC1(C)C)c1cc2c(cc1Br)OCCO2 ZINC000662514715 565373547 /nfs/dbraw/zinc/37/35/47/565373547.db2.gz OJYIPKIBFGNNSI-BONVTDFDSA-N 1 0 383.286 2.786 20 0 GFADRO CC(C)C[C@H](NC(=O)c1cc2c(s1)CC[NH2+]C2)C(=O)Nc1nccs1 ZINC000662509412 565374072 /nfs/dbraw/zinc/37/40/72/565374072.db2.gz FPUOPDIAFCLWMF-LBPRGKRZSA-N 1 0 378.523 2.634 20 0 GFADRO O=C(c1cc(-c2cccc(Br)c2)no1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000662521578 565374076 /nfs/dbraw/zinc/37/40/76/565374076.db2.gz QWZWKOHMWYLHLN-TZMCWYRMSA-N 1 0 376.254 2.928 20 0 GFADRO N[C@@H](C(=O)N1CCC([NH+]2CCCCC2)CC1)c1ccccc1Br ZINC000662524597 565375175 /nfs/dbraw/zinc/37/51/75/565375175.db2.gz MPKFCJFCNZKZGB-QGZVFWFLSA-N 1 0 380.330 2.926 20 0 GFADRO COc1ccc(Br)cc1CNC(=O)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662547620 565376087 /nfs/dbraw/zinc/37/60/87/565376087.db2.gz BQDQDVQJMHBAKF-CYBMUJFWSA-N 1 0 381.192 2.616 20 0 GFADRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)c2ccc(I)c(F)c2)C1 ZINC000594102655 565376528 /nfs/dbraw/zinc/37/65/28/565376528.db2.gz OPUUSWWQUFOALM-JGZJWPJOSA-N 1 0 376.213 2.500 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)[C@@H]1[NH2+]CCC1(C)C ZINC000662553145 565377465 /nfs/dbraw/zinc/37/74/65/565377465.db2.gz LMVZKFLQMICRHZ-HNNXBMFYSA-N 1 0 382.302 2.590 20 0 GFADRO N[C@@H](C(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1)c1ccccc1Br ZINC000662590436 565377941 /nfs/dbraw/zinc/37/79/41/565377941.db2.gz MKRHMFMDXIIROC-WMLDXEAASA-N 1 0 380.330 2.687 20 0 GFADRO Cc1cc(Br)cc(C(=O)N2CCC[C@@H](n3cc(C[NH3+])nn3)C2)c1C ZINC000662576757 565378226 /nfs/dbraw/zinc/37/82/26/565378226.db2.gz ZVTGIONTSPREEH-OAHLLOKOSA-N 1 0 392.301 2.593 20 0 GFADRO CN1CCc2c(cccc2S(=O)(=O)N[C@H](c2nccs2)C(F)(F)F)C1 ZINC000641514914 565379506 /nfs/dbraw/zinc/37/95/06/565379506.db2.gz QDWJLVRLGGOHOH-CYBMUJFWSA-N 1 0 391.440 2.713 20 0 GFADRO [NH3+]C1(CC(=O)Nc2cc(Cl)c(NC(=O)c3cnccn3)c(Cl)c2)CC1 ZINC000662610679 565379625 /nfs/dbraw/zinc/37/96/25/565379625.db2.gz RVBWPMBXPJUUBN-UHFFFAOYSA-N 1 0 380.235 2.856 20 0 GFADRO O=C(Nc1ccc([C@H]2C[NH2+]CCO2)cc1)c1n[nH]c(C2CC2)c1Br ZINC000662687756 565381830 /nfs/dbraw/zinc/38/18/30/565381830.db2.gz KAAMOPGWSNDZFB-CYBMUJFWSA-N 1 0 391.269 2.963 20 0 GFADRO CC1(C)CC[NH2+][C@H]1C(=O)NC[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000662692031 565382153 /nfs/dbraw/zinc/38/21/53/565382153.db2.gz MISRXLDRHHWHCS-BBRMVZONSA-N 1 0 380.330 2.780 20 0 GFADRO CC(C)([NH3+])c1cc(C(=O)N[C@H]2CCN(c3ccc(Br)cc3)C2)on1 ZINC000662715715 565383604 /nfs/dbraw/zinc/38/36/04/565383604.db2.gz VHVKGCBYGBJQEU-LBPRGKRZSA-N 1 0 393.285 2.640 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)c2c(Cl)cccc2Br)CC12CCOCC2 ZINC000662782977 565384580 /nfs/dbraw/zinc/38/45/80/565384580.db2.gz CESCIDQXEJIJNH-LLVKDONJSA-N 1 0 387.705 2.930 20 0 GFADRO C[NH2+]CCCC(=O)N1CCC(NC(=O)Cc2c(Cl)cccc2Cl)CC1 ZINC000662747382 565384704 /nfs/dbraw/zinc/38/47/04/565384704.db2.gz WCOSKBFVJMKBKN-UHFFFAOYSA-N 1 0 386.323 2.643 20 0 GFADRO C[NH2+]CCCC(=O)N1CCC(NC(=O)c2cc(SC)ccc2Cl)CC1 ZINC000662747433 565384713 /nfs/dbraw/zinc/38/47/13/565384713.db2.gz XVFAGUMKLWYRLG-UHFFFAOYSA-N 1 0 383.945 2.782 20 0 GFADRO O=C(c1ccc(Cl)c(Br)c1)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000620480651 565384921 /nfs/dbraw/zinc/38/49/21/565384921.db2.gz IBVVBVBMJXCZIU-CYBMUJFWSA-N 1 0 387.705 2.774 20 0 GFADRO O=C(c1sc2c(c1Br)CNC2)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000662813468 565386113 /nfs/dbraw/zinc/38/61/13/565386113.db2.gz NENLKSHYZUOULM-JQWIXIFHSA-N 1 0 384.343 2.718 20 0 GFADRO O=C(c1cc2cc(Br)sc2[nH]1)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000620484057 565386433 /nfs/dbraw/zinc/38/64/33/565386433.db2.gz IECCXHJGCBWOGW-LBPRGKRZSA-N 1 0 398.326 2.663 20 0 GFADRO COc1ccc(CCC(=O)Nc2nn(C)c(C)c2C[NH3+])cc1Br ZINC000662843612 565387628 /nfs/dbraw/zinc/38/76/28/565387628.db2.gz YYVAGRMCEXCCEL-UHFFFAOYSA-N 1 0 381.274 2.530 20 0 GFADRO CC[NH+](CC)C[C@@H](C)NC(=O)NCC(=O)Nc1ccc(Br)cc1C ZINC000620550560 565388067 /nfs/dbraw/zinc/38/80/67/565388067.db2.gz JUTPJLYKPPXNIJ-CYBMUJFWSA-N 1 0 399.333 2.726 20 0 GFADRO O=C(N1CCc2sc(Br)cc2C1)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662883797 565388320 /nfs/dbraw/zinc/38/83/20/565388320.db2.gz PCFANIVPIYHPTL-LBPRGKRZSA-N 1 0 383.233 2.937 20 0 GFADRO O=C([C@H]1CC12CC[NH2+]CC2)N1CCOC[C@H]1c1cccc(Br)c1 ZINC000662885393 565389938 /nfs/dbraw/zinc/38/99/38/565389938.db2.gz ZNDSKUJTZWDESJ-CVEARBPZSA-N 1 0 379.298 2.739 20 0 GFADRO C[NH2+]C[C@H](C)NC(=O)c1nn(-c2cccc(Br)c2)c2c1CCCC2 ZINC000662961311 565391260 /nfs/dbraw/zinc/39/12/60/565391260.db2.gz WKZRNKXHKYQTLS-LBPRGKRZSA-N 1 0 391.313 2.851 20 0 GFADRO C[C@@H]1CN(C(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)C[C@@H](CC(F)(F)F)O1 ZINC000620805599 565397970 /nfs/dbraw/zinc/39/79/70/565397970.db2.gz MNIPZHUNNDABNR-BPLDGKMQSA-N 1 0 380.476 2.772 20 0 GFADRO COCC[C@@H](CO)[NH2+]Cc1cc(Br)ccc1OCc1ccccn1 ZINC000641764066 565398387 /nfs/dbraw/zinc/39/83/87/565398387.db2.gz MWKHHTCEXURZSJ-INIZCTEOSA-N 1 0 395.297 2.910 20 0 GFADRO CN(CCCC[NH+]1CCCCC1)C(=O)NCc1nn(C)cc1Br ZINC000641832523 565399879 /nfs/dbraw/zinc/39/98/79/565399879.db2.gz SQGKUQPNAYFJTM-UHFFFAOYSA-N 1 0 386.338 2.590 20 0 GFADRO Cc1ccc(CN(C[C@@H]2CCCO2)C(=O)NC/C=C/C[NH3+])c(Br)c1 ZINC000641867606 565400929 /nfs/dbraw/zinc/40/09/29/565400929.db2.gz SWAVAUXQUNNVOO-KZSQQDEKSA-N 1 0 396.329 2.963 20 0 GFADRO C[N@H+](CCOc1ccc(Br)cc1)C[C@@H](O)COCc1ccco1 ZINC000641938116 565401983 /nfs/dbraw/zinc/40/19/83/565401983.db2.gz OAVDJPWOKUYBTR-OAHLLOKOSA-N 1 0 384.270 2.930 20 0 GFADRO COC(=O)[C@@H](NC1CC[NH+]([C@@H]2CCOC2)CC1)c1ccc(Br)cc1 ZINC000594611767 565402558 /nfs/dbraw/zinc/40/25/58/565402558.db2.gz KHXGQFNICALBMO-SJORKVTESA-N 1 0 397.313 2.506 20 0 GFADRO COC(=O)[C@@H](NC1CC[NH+]([C@H]2CCOC2)CC1)c1ccc(Br)cc1 ZINC000594611766 565402932 /nfs/dbraw/zinc/40/29/32/565402932.db2.gz KHXGQFNICALBMO-IRXDYDNUSA-N 1 0 397.313 2.506 20 0 GFADRO C[NH+](C)CCC[C@H]1CN(C(=O)COc2cc(Cl)cc(Cl)c2)CCO1 ZINC000620970511 565403360 /nfs/dbraw/zinc/40/33/60/565403360.db2.gz RMYHPSATCCWZRC-HNNXBMFYSA-N 1 0 375.296 2.941 20 0 GFADRO CC(C)[C@@H]1CN(C(=O)C2(c3ccc(Br)cc3)CCOCC2)CC[NH2+]1 ZINC000621153721 565407844 /nfs/dbraw/zinc/40/78/44/565407844.db2.gz YHXVUSIQOBWNSQ-KRWDZBQOSA-N 1 0 395.341 2.954 20 0 GFADRO CN([C@H](C[NH3+])C(F)(F)F)S(=O)(=O)c1ccc(C(F)(F)F)cc1Cl ZINC000663312125 565410877 /nfs/dbraw/zinc/41/08/77/565410877.db2.gz UOEUZVFMPXPNPP-SECBINFHSA-N 1 0 384.729 2.869 20 0 GFADRO CC[NH+]1CCN([C@H](C)CN=c2[nH]c3c(cccc3Br)s2)CC1 ZINC000621253024 565412272 /nfs/dbraw/zinc/41/22/72/565412272.db2.gz NJPZAESPHXEHHG-GFCCVEGCSA-N 1 0 383.359 2.919 20 0 GFADRO COc1cc(CN2CCC(OCC[NH+]3CCCC3)CC2)c(Br)cn1 ZINC000621260874 565413244 /nfs/dbraw/zinc/41/32/44/565413244.db2.gz VAPDLSFSLOQMFY-UHFFFAOYSA-N 1 0 398.345 2.930 20 0 GFADRO COc1cc(CN(C)CC(C)(C)C[NH+]2CCOCC2)c(Br)cn1 ZINC000621269450 565413587 /nfs/dbraw/zinc/41/35/87/565413587.db2.gz VLJRTZBPPKVLEU-UHFFFAOYSA-N 1 0 386.334 2.643 20 0 GFADRO CC[C@@H]1CN(C(=O)C(=O)NC[C@@H](C)c2c(Cl)cccc2Cl)CC[C@@H]1[NH3+] ZINC000642756872 565417404 /nfs/dbraw/zinc/41/74/04/565417404.db2.gz QGPANKUKUFZNLP-JMSVASOKSA-N 1 0 386.323 2.799 20 0 GFADRO CCCc1ccc(C[NH2+]Cc2cccc(S(=O)(=O)NCCOC)c2)s1 ZINC000621337230 565422177 /nfs/dbraw/zinc/42/21/77/565422177.db2.gz QTKBSDRRWFGYFC-UHFFFAOYSA-N 1 0 382.551 2.915 20 0 GFADRO COc1cc(Cl)ccc1S(=O)(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1 ZINC000643097725 565422189 /nfs/dbraw/zinc/42/21/89/565422189.db2.gz XZTWTLAPWYLWLO-DZGCQCFKSA-N 1 0 384.860 2.603 20 0 GFADRO O=C(c1csc(-c2ccc(Cl)c(Cl)c2)n1)N1CCOC2(C[NH2+]C2)C1 ZINC000663487568 565422408 /nfs/dbraw/zinc/42/24/08/565422408.db2.gz HCXFOASCBGBNNI-UHFFFAOYSA-N 1 0 384.288 2.931 20 0 GFADRO C[C@@H]1CC[N@H+](C[C@H](O)COc2ccc(Cl)cc2Br)C[C@H]1CO ZINC000621367374 565422853 /nfs/dbraw/zinc/42/28/53/565422853.db2.gz ZRZQOBPOSRPKAQ-DYEKYZERSA-N 1 0 392.721 2.793 20 0 GFADRO C[C@]1(NC(=O)Nc2ccnn2Cc2ccccc2Br)CC[NH2+]C1 ZINC000663589637 565426751 /nfs/dbraw/zinc/42/67/51/565426751.db2.gz BOYKKISXAYLEJN-INIZCTEOSA-N 1 0 378.274 2.567 20 0 GFADRO CS(=O)(=O)c1ccc(C(=O)N2CCC(C[NH+]3CCCCCC3)CC2)s1 ZINC000643333670 565430375 /nfs/dbraw/zinc/43/03/75/565430375.db2.gz COGMSLRONKAMEI-UHFFFAOYSA-N 1 0 384.567 2.880 20 0 GFADRO CN(CC(=O)Nc1ccccc1Br)C(=O)CC[C@H]1CCC[NH2+]C1 ZINC000621625389 565433131 /nfs/dbraw/zinc/43/31/31/565433131.db2.gz UWHMRKXSMCDYGK-CYBMUJFWSA-N 1 0 382.302 2.626 20 0 GFADRO O=C(CC[C@H]1CCC[NH2+]C1)NCc1nnc(-c2ccc(Br)cc2)[nH]1 ZINC000621631898 565434006 /nfs/dbraw/zinc/43/40/06/565434006.db2.gz MCQKDJPGCXAJIZ-GFCCVEGCSA-N 1 0 392.301 2.630 20 0 GFADRO Cc1nc(C)c(Br)c(N2CCOC[C@@H]2c2noc(C(C)C)n2)n1 ZINC000663779781 565434733 /nfs/dbraw/zinc/43/47/33/565434733.db2.gz BHNIOMSQBLFYBA-LLVKDONJSA-N 1 0 382.262 2.940 20 0 GFADRO O=C(c1cc(=O)[nH]c2ccc(Br)cc21)N1CCC2(CC[NH2+]2)CC1 ZINC000643608709 565435281 /nfs/dbraw/zinc/43/52/81/565435281.db2.gz KOEAAKLKAQEIMQ-UHFFFAOYSA-N 1 0 376.254 2.671 20 0 GFADRO COCC1(C(=O)NCC(F)(F)c2ccc(Br)cc2)CC[NH2+]CC1 ZINC000621671031 565435809 /nfs/dbraw/zinc/43/58/09/565435809.db2.gz GDRKHZYQHKOYMG-UHFFFAOYSA-N 1 0 391.256 2.673 20 0 GFADRO O=C(N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1)c1cc(Br)c[nH]c1=O ZINC000621669760 565435964 /nfs/dbraw/zinc/43/59/64/565435964.db2.gz WGVMSIFQHOJRAL-ZFWWWQNUSA-N 1 0 394.244 2.564 20 0 GFADRO C[C@@H](CCNC(=O)NC[C@H]1CCN(c2cccc(Br)c2)C1)[NH+](C)C ZINC000663803326 565436927 /nfs/dbraw/zinc/43/69/27/565436927.db2.gz FFNCDQSDYKPMBG-LSDHHAIUSA-N 1 0 397.361 2.915 20 0 GFADRO COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+][C@H]1CCN(c2ccc(Br)c(C)c2)C1=O ZINC000594943447 565437010 /nfs/dbraw/zinc/43/70/10/565437010.db2.gz DXKMXJXWRUPKDA-DCDXPUDHSA-N 1 0 395.297 2.650 20 0 GFADRO C[C@@H](CCNC(=O)NC[C@@H]1CCN(c2cccc(Br)c2)C1)[NH+](C)C ZINC000663803324 565437344 /nfs/dbraw/zinc/43/73/44/565437344.db2.gz FFNCDQSDYKPMBG-GJZGRUSLSA-N 1 0 397.361 2.915 20 0 GFADRO C[C@H]1COCC[C@@H]1Nc1ncnc(N[C@H]2CCOC[C@H]2C)c1Br ZINC000663841587 565438901 /nfs/dbraw/zinc/43/89/01/565438901.db2.gz HARAPHVDLVDPQG-RNJOBUHISA-N 1 0 385.306 2.913 20 0 GFADRO [NH3+][C@@]12CCC[C@H]1CN(Cc1nc(Cc3cccc(Br)c3)no1)C2 ZINC000621782231 565440699 /nfs/dbraw/zinc/44/06/99/565440699.db2.gz NSOGSEALQGVPMM-SUMWQHHRSA-N 1 0 377.286 2.736 20 0 GFADRO OC1(C[NH2+]Cc2ncc(I)s2)CCC(F)(F)CC1 ZINC000594999651 565441048 /nfs/dbraw/zinc/44/10/48/565441048.db2.gz FFKDEGHSNAFKOI-UHFFFAOYSA-N 1 0 388.221 2.778 20 0 GFADRO O[C@@H](C[NH2+][C@@H]1CCc2ccc(I)cc21)COCC1CC1 ZINC000595017958 565443268 /nfs/dbraw/zinc/44/32/68/565443268.db2.gz YILNVBHEQLCYOI-GOEBONIOSA-N 1 0 387.261 2.656 20 0 GFADRO O=C(C[NH2+][C@@H]1CCc2ccc(I)cc21)NC1CCCC1 ZINC000595020506 565443512 /nfs/dbraw/zinc/44/35/12/565443512.db2.gz ZVTLVSHSQQUAOE-OAHLLOKOSA-N 1 0 384.261 2.927 20 0 GFADRO OC[C@H]([NH2+][C@H]1CCc2ccc(I)cc21)C1CCOCC1 ZINC000595031807 565444433 /nfs/dbraw/zinc/44/44/33/565444433.db2.gz FNUYJLGLGYDUMK-HOTGVXAUSA-N 1 0 387.261 2.656 20 0 GFADRO COC[C@@](C)(O)CC[NH2+][C@@H]1CCc2ccc(I)cc21 ZINC000595039770 565444530 /nfs/dbraw/zinc/44/45/30/565444530.db2.gz CIOYPFLSEJJUQF-CABCVRRESA-N 1 0 375.250 2.656 20 0 GFADRO O=C(NCC(F)(F)c1ccc(Br)cc1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000621851308 565445135 /nfs/dbraw/zinc/44/51/35/565445135.db2.gz QLCIEMVZXODUMR-BXUZGUMPSA-N 1 0 388.256 2.934 20 0 GFADRO C[NH+](C)Cc1cc(CNC(=O)c2cc(Br)c[nH]c2=O)ccc1F ZINC000621870627 565445820 /nfs/dbraw/zinc/44/58/20/565445820.db2.gz NDTUXVNUQDGQLK-UHFFFAOYSA-N 1 0 382.233 2.680 20 0 GFADRO COCC[N@@H+]1CC[C@@H](NCc2c(F)c(F)c(Br)c(F)c2F)C1 ZINC000643802815 565446409 /nfs/dbraw/zinc/44/64/09/565446409.db2.gz BWHRKTJVJDTJSP-MRVPVSSYSA-N 1 0 385.199 2.816 20 0 GFADRO O=C(c1cc2c(cc1Br)OCO2)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000621878876 565446962 /nfs/dbraw/zinc/44/69/62/565446962.db2.gz CXELCXNAOUWMGN-GFCCVEGCSA-N 1 0 381.270 2.736 20 0 GFADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3cc4c(cc3Br)OCO4)CC[C@H]21 ZINC000621919127 565448609 /nfs/dbraw/zinc/44/86/09/565448609.db2.gz YOBVMUDLQMHGBD-BXUZGUMPSA-N 1 0 381.270 2.734 20 0 GFADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)N1CC(C)(C)c2ccc(Br)cc21 ZINC000664083160 565452586 /nfs/dbraw/zinc/45/25/86/565452586.db2.gz NVYHLVUCJCGIKR-AWEZNQCLSA-N 1 0 395.345 2.502 20 0 GFADRO C[NH+](C)CCC[C@@H]1CN(C(=O)NCCc2ccc(Br)cc2)CCO1 ZINC000664153743 565453453 /nfs/dbraw/zinc/45/34/53/565453453.db2.gz RPVNGNXFGJUEHV-QGZVFWFLSA-N 1 0 398.345 2.744 20 0 GFADRO [NH3+][C@@]12CCC[C@@H]1CN(S(=O)(=O)c1cc(Cl)ccc1Br)C2 ZINC000622014853 565455049 /nfs/dbraw/zinc/45/50/49/565455049.db2.gz LPMNEVUZKFCJJK-NOZJJQNGSA-N 1 0 379.707 2.604 20 0 GFADRO O=C(Nc1ccnn1Cc1cccc(Br)c1)[C@@H]1C[NH2+]CCC1(F)F ZINC000644041410 565456308 /nfs/dbraw/zinc/45/63/08/565456308.db2.gz AONWNCSRTXCHPC-ZDUSSCGKSA-N 1 0 399.239 2.877 20 0 GFADRO [NH3+]CC12CC(C1)CN2C(=O)Nc1cc(F)c(I)c(F)c1 ZINC000595229332 565457154 /nfs/dbraw/zinc/45/71/54/565457154.db2.gz PJNIBXBIKMGVAK-UHFFFAOYSA-N 1 0 393.175 2.524 20 0 GFADRO CC(C)C[C@@H](C[NH3+])NC(=O)[C@H](NC(=O)c1ccccc1Br)C(C)C ZINC000644088608 565457280 /nfs/dbraw/zinc/45/72/80/565457280.db2.gz DDZHKZPTDAGBMS-XJKSGUPXSA-N 1 0 398.345 2.693 20 0 GFADRO COC[C@@]1(CNC(=O)c2cc(Br)cc(OC(C)C)c2)CCC[NH2+]1 ZINC000644124794 565459737 /nfs/dbraw/zinc/45/97/37/565459737.db2.gz ZLHKYEZHUPFDGH-KRWDZBQOSA-N 1 0 385.302 2.735 20 0 GFADRO CCN(C(=O)N[C@H]1CCN(c2cccc(Br)c2)C1)[C@H]1CC[N@H+](C)C1 ZINC000664771124 565478122 /nfs/dbraw/zinc/47/81/22/565478122.db2.gz BMFWHAVTZUIPGC-RDJZCZTQSA-N 1 0 395.345 2.763 20 0 GFADRO CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+][C@H]2CC[C@](O)(C(F)(F)F)C2)cc1 ZINC000644554199 565481934 /nfs/dbraw/zinc/48/19/34/565481934.db2.gz VPQDCYSXLHBBKY-TUKIKUTGSA-N 1 0 380.432 2.945 20 0 GFADRO O=C(NCCCCc1ccc(Cl)s1)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000664848994 565482181 /nfs/dbraw/zinc/48/21/81/565482181.db2.gz ZULSFYQSFCPPGV-HNNXBMFYSA-N 1 0 385.961 2.965 20 0 GFADRO OCCOCC[N@H+](Cc1ccc(I)cc1)C1CCC1 ZINC000595594463 565484973 /nfs/dbraw/zinc/48/49/73/565484973.db2.gz CTQZKBJIQPRXKO-UHFFFAOYSA-N 1 0 375.250 2.655 20 0 GFADRO O=C(Cc1noc2ccc(Br)cc21)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000644620059 565485497 /nfs/dbraw/zinc/48/54/97/565485497.db2.gz DTNCKMZAJFEGBX-CYBMUJFWSA-N 1 0 378.270 2.830 20 0 GFADRO COC(=O)[C@@H]1C[C@H](C(F)(F)F)C[N@H+](C[C@@H](O)Cc2cccc(Cl)c2)C1 ZINC000595620550 565486021 /nfs/dbraw/zinc/48/60/21/565486021.db2.gz FMRNHECLWOKWQI-IPYPFGDCSA-N 1 0 379.806 2.917 20 0 GFADRO CSC1(CNC(=O)N2C[C@@H](CC(F)(F)F)O[C@@H](C)C2)CC[NH+](C)CC1 ZINC000595636713 565486117 /nfs/dbraw/zinc/48/61/17/565486117.db2.gz SPLHWUSHNLNAEC-QWHCGFSZSA-N 1 0 383.480 2.565 20 0 GFADRO CC(C)[C@@H](C[NH2+]C[C@@H](O)COc1cccc(Br)c1)c1ccnn1C ZINC000644630362 565486507 /nfs/dbraw/zinc/48/65/07/565486507.db2.gz VIEDSIJXQOVXLR-NVXWUHKLSA-N 1 0 396.329 2.952 20 0 GFADRO CC(=O)N1CCC[C@@H](C[NH2+]C[C@H](O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000644636381 565486568 /nfs/dbraw/zinc/48/65/68/565486568.db2.gz GPWBRZCESGZECH-KBPBESRZSA-N 1 0 375.296 2.581 20 0 GFADRO CC(C)[C@@H](C[NH2+]C[C@H](O)COc1cccc(Br)c1)c1ccnn1C ZINC000644630361 565486679 /nfs/dbraw/zinc/48/66/79/565486679.db2.gz VIEDSIJXQOVXLR-DOTOQJQBSA-N 1 0 396.329 2.952 20 0 GFADRO Brc1cnc2c(-c3noc([C@@H]4CCC[N@@H+]4C4CC4)n3)cnn2c1 ZINC000664957396 565486779 /nfs/dbraw/zinc/48/67/79/565486779.db2.gz TZGKXKWRMIVTGX-LBPRGKRZSA-N 1 0 375.230 2.841 20 0 GFADRO C[N@H+](C[C@H](O)CNCc1c(F)c(F)c(Br)c(F)c1F)C1CC1 ZINC000644677150 565489102 /nfs/dbraw/zinc/48/91/02/565489102.db2.gz PYHQAINECZXFPZ-MRVPVSSYSA-N 1 0 385.199 2.550 20 0 GFADRO CC[NH+](CC)CCCNC(=O)[C@@H]1CCO[C@H]1c1cncc(Br)c1 ZINC000665151834 565491078 /nfs/dbraw/zinc/49/10/78/565491078.db2.gz LYRAJWIUGKZSLH-CVEARBPZSA-N 1 0 384.318 2.770 20 0 GFADRO C[C@H](NC(=O)[C@H]1CCCC[N@@H+]1C)c1ccc(Br)cc1OCCCO ZINC000644708837 565491272 /nfs/dbraw/zinc/49/12/72/565491272.db2.gz LHTAGBSXFWWDHL-XJKSGUPXSA-N 1 0 399.329 2.872 20 0 GFADRO [NH3+][C@@H]1CCc2ncc(NC(=O)c3nc(C4CC4)ncc3Br)cc2C1 ZINC000623068445 565492747 /nfs/dbraw/zinc/49/27/47/565492747.db2.gz AALGVHDNXVJCKS-LLVKDONJSA-N 1 0 388.269 2.580 20 0 GFADRO COCCC[C@H](NCc1nc(C[NH3+])cc(=O)[nH]1)c1ccc(Br)cc1 ZINC000665292098 565496367 /nfs/dbraw/zinc/49/63/67/565496367.db2.gz SIXXQXRSTZNSQC-HNNXBMFYSA-N 1 0 395.301 2.661 20 0 GFADRO C[NH+](C)CCC[C@H]1CN(Cc2ccc(I)cc2)CCO1 ZINC000595906745 565497664 /nfs/dbraw/zinc/49/76/64/565497664.db2.gz MRKIVHJDCWHMJG-INIZCTEOSA-N 1 0 388.293 2.834 20 0 GFADRO CCOC(=O)c1sc([C@H](C)NC(=O)c2cc3c(s2)CC[NH2+]C3)nc1C ZINC000595930079 565499141 /nfs/dbraw/zinc/49/91/41/565499141.db2.gz NSZMXVIASLSAMH-JTQLQIEISA-N 1 0 379.507 2.826 20 0 GFADRO COC(=O)c1sc(NC(=O)[C@]2(C(F)(F)F)CC[NH2+]C2)nc1C(C)(C)C ZINC000595936338 565499733 /nfs/dbraw/zinc/49/97/33/565499733.db2.gz BEGASDMPWLZRKZ-AWEZNQCLSA-N 1 0 379.404 2.708 20 0 GFADRO [NH3+][C@H]1C[C@H](C(=O)Nc2ccc(Br)c(I)c2)C1 ZINC000595937702 565499828 /nfs/dbraw/zinc/49/98/28/565499828.db2.gz TUQZHYULNDDJHO-LJGSYFOKSA-N 1 0 395.038 2.730 20 0 GFADRO CC(C)[NH2+]CCC(=O)NCc1cc(Cl)ccc1I ZINC000595939531 565501208 /nfs/dbraw/zinc/50/12/08/565501208.db2.gz YBFAVJIRCCWTFP-UHFFFAOYSA-N 1 0 380.657 2.949 20 0 GFADRO CC(C)C[C@H]([NH3+])C(=O)NCc1cc(Cl)ccc1I ZINC000595939072 565501522 /nfs/dbraw/zinc/50/15/22/565501522.db2.gz VACYSWRPZAIRIC-LBPRGKRZSA-N 1 0 380.657 2.934 20 0 GFADRO [NH3+][C@H](CC(F)F)C(=O)NCc1cc(Cl)ccc1I ZINC000595939371 565501534 /nfs/dbraw/zinc/50/15/34/565501534.db2.gz WTTUXOAMTVPOEH-SECBINFHSA-N 1 0 388.583 2.543 20 0 GFADRO Cc1cc(Br)c(CNC(=O)c2cnn3c2[C@H](C[NH3+])CCC3)s1 ZINC000595965275 565502703 /nfs/dbraw/zinc/50/27/03/565502703.db2.gz BAFOYCMOQLTLSD-JTQLQIEISA-N 1 0 383.315 2.782 20 0 GFADRO COC(=O)[C@@H](NC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1Br ZINC000595970790 565503778 /nfs/dbraw/zinc/50/37/78/565503778.db2.gz NRUFGYXPNDLCJE-SXBLYGPUSA-N 1 0 395.297 2.700 20 0 GFADRO CC[C@@]1(C(=O)Nc2nc3cc(I)ccc3[nH]2)CCC[NH2+]1 ZINC000595980380 565503833 /nfs/dbraw/zinc/50/38/33/565503833.db2.gz HCIVQVNQEGRAEL-AWEZNQCLSA-N 1 0 384.221 2.638 20 0 GFADRO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1Cc2sc(C(=O)OC)c(Br)c2C1 ZINC000596000771 565504541 /nfs/dbraw/zinc/50/45/41/565504541.db2.gz OYIVIZWSZIAKQY-WPRPVWTQSA-N 1 0 387.299 2.528 20 0 GFADRO Cc1sc2nc(CS[C@H](C)C(=O)N[C@]3(C)CC[NH2+]C3)[nH]c(=O)c2c1C ZINC000595991417 565504559 /nfs/dbraw/zinc/50/45/59/565504559.db2.gz IOUWAGCIEFNPAS-PIGZYNQJSA-N 1 0 380.539 2.504 20 0 GFADRO COC(=O)c1sc2c(c1Br)CN(C(=O)[C@H]1C[C@@H](C)CC[NH2+]1)C2 ZINC000595994758 565504867 /nfs/dbraw/zinc/50/48/67/565504867.db2.gz IYDMRHHKJFFIKN-WCBMZHEXSA-N 1 0 387.299 2.528 20 0 GFADRO O=C(N[C@H](CO)C[NH+]1CCCCC1)[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000665883979 565514484 /nfs/dbraw/zinc/51/44/84/565514484.db2.gz IUPPOCWDNNSGMZ-YESZJQIVSA-N 1 0 381.314 2.516 20 0 GFADRO C[NH+](C)C[C@@H]1CCCCN1C(=O)c1cc(Br)c2c(c1)OCCO2 ZINC000623504121 565516002 /nfs/dbraw/zinc/51/60/02/565516002.db2.gz YFBIPILHSRYZPC-ZDUSSCGKSA-N 1 0 383.286 2.777 20 0 GFADRO CCN1C[C@H](C[NH2+]Cc2c[nH]nc2-c2ccc(Br)s2)CC1=O ZINC000623560408 565518130 /nfs/dbraw/zinc/51/81/30/565518130.db2.gz DZPLGRBWTLRTNO-JTQLQIEISA-N 1 0 383.315 2.859 20 0 GFADRO COc1ccc(CNC(=O)NC[C@@H]2CCCC[N@H+](C)C2)cc1Br ZINC000623544875 565518279 /nfs/dbraw/zinc/51/82/79/565518279.db2.gz OPWBCOHFEQJQFG-AWEZNQCLSA-N 1 0 384.318 2.989 20 0 GFADRO CCSc1ccc(Cl)cc1NC(=O)N(CC[NH+](C)C)CC(=O)N(C)C ZINC000666005508 565519613 /nfs/dbraw/zinc/51/96/13/565519613.db2.gz SSZYDBAMOYGJMQ-UHFFFAOYSA-N 1 0 386.949 2.936 20 0 GFADRO O=C(NCCNc1ncc(C(F)(F)F)cc1Cl)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000645402490 565523738 /nfs/dbraw/zinc/52/37/38/565523738.db2.gz OPJBOGHHURHYJP-MEBBXXQBSA-N 1 0 376.810 2.672 20 0 GFADRO CC(C)[C@@H](C[NH2+][C@@H](C)Cn1cc(Br)ccc1=O)c1ccnn1C ZINC000666131741 565524324 /nfs/dbraw/zinc/52/43/24/565524324.db2.gz XGBXORXTAFKBOT-DZGCQCFKSA-N 1 0 381.318 2.762 20 0 GFADRO Brc1ccccc1C[NH2+]C[C@H]1CN(Cc2ccncc2)CCO1 ZINC000623780252 565530344 /nfs/dbraw/zinc/53/03/44/565530344.db2.gz DZQNPJWMQXUCOQ-KRWDZBQOSA-N 1 0 376.298 2.835 20 0 GFADRO Cc1c(Br)cncc1C[NH2+]C[C@@H]1CN(Cc2ccncc2)CCO1 ZINC000623783415 565530877 /nfs/dbraw/zinc/53/08/77/565530877.db2.gz LPPPUEGYHMWUSX-QGZVFWFLSA-N 1 0 391.313 2.538 20 0 GFADRO O=C(Nc1cc(F)ccc1Br)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000666324732 565531719 /nfs/dbraw/zinc/53/17/19/565531719.db2.gz NFVBMJSEXLZUOC-CYBMUJFWSA-N 1 0 386.265 2.651 20 0 GFADRO Ic1ccc2c(c1)[C@@H](NCC13CC(C1)C[NH2+]3)CCCO2 ZINC000596655060 565532006 /nfs/dbraw/zinc/53/20/06/565532006.db2.gz SMYXDBBFIIYDAA-WMEQCIOUSA-N 1 0 384.261 2.847 20 0 GFADRO O=S(=O)(CCC[C@H]1CCOC1)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000645503739 565532275 /nfs/dbraw/zinc/53/22/75/565532275.db2.gz MMRMKQHVRVHEGC-DLBZAZTESA-N 1 0 386.583 2.696 20 0 GFADRO O=S(=O)(c1ncccc1C(F)(F)F)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000645524696 565534984 /nfs/dbraw/zinc/53/49/84/565534984.db2.gz ORYBHOKXIUVPKS-ZDUSSCGKSA-N 1 0 377.432 2.739 20 0 GFADRO Cc1ccc(Br)cc1[C@@H](C)[NH2+]C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000623923437 565535230 /nfs/dbraw/zinc/53/52/30/565535230.db2.gz ATQLNVITGNEPHH-CHWSQXEVSA-N 1 0 375.332 2.690 20 0 GFADRO C[NH+](C)C[C@H]1CCN(S(=O)(=O)Cc2ccc(Br)cc2Cl)C1 ZINC000645538122 565536020 /nfs/dbraw/zinc/53/60/20/565536020.db2.gz JJCKVKJUIREJHN-LLVKDONJSA-N 1 0 395.750 2.816 20 0 GFADRO C[NH+](C)C1(CNC(=O)[C@@H]2CCO[C@H]2c2cncc(Br)c2)CCCC1 ZINC000666528368 565540476 /nfs/dbraw/zinc/54/04/76/565540476.db2.gz TWOOFWCGWVQNST-CVEARBPZSA-N 1 0 396.329 2.912 20 0 GFADRO C[C@]([NH3+])(C(=O)Nc1cnn(C[C@@H]2CCCO2)c1)c1ccc(Br)cc1 ZINC000645580742 565541271 /nfs/dbraw/zinc/54/12/71/565541271.db2.gz ARZIZUDXWWCIBY-DOTOQJQBSA-N 1 0 393.285 2.637 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCN(c2ccc3nncn3n2)C1)c1ccc(Br)cc1 ZINC000624113460 565543475 /nfs/dbraw/zinc/54/34/75/565543475.db2.gz GLAMVBSVKPEORK-SWLSCSKDSA-N 1 0 387.285 2.816 20 0 GFADRO C[C@@H]([NH2+][C@@H]1CCN(c2ccc3nncn3n2)C1)c1cc(Br)cs1 ZINC000624115964 565544232 /nfs/dbraw/zinc/54/42/32/565544232.db2.gz GFYHRRFKSPJVPL-ZYHUDNBSSA-N 1 0 393.314 2.878 20 0 GFADRO COc1ncc(S(=O)(=O)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1Cl ZINC000645645617 565547181 /nfs/dbraw/zinc/54/71/81/565547181.db2.gz FRUCASRSFUPCRI-CHWSQXEVSA-N 1 0 387.933 2.675 20 0 GFADRO O[C@H](C[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)COc1ccc(I)cc1 ZINC000597054423 565550434 /nfs/dbraw/zinc/55/04/34/565550434.db2.gz UIRZZKBJRVLLQR-XABYNWHXSA-N 1 0 387.261 2.809 20 0 GFADRO C[C@@H](CCNC(=O)Nc1cn(C)cc(Br)c1=O)[NH+]1CCCCC1 ZINC000666695167 565550677 /nfs/dbraw/zinc/55/06/77/565550677.db2.gz QJMSVKZNPAIOGT-LBPRGKRZSA-N 1 0 385.306 2.534 20 0 GFADRO Cn1cc(Br)c(=O)c(NC(=O)NCC[N@H+](C)C2CCCCC2)c1 ZINC000666695013 565550720 /nfs/dbraw/zinc/55/07/20/565550720.db2.gz MBGNKCINFNTZIV-UHFFFAOYSA-N 1 0 385.306 2.534 20 0 GFADRO C[NH2+]C[C@H]1CCCN(S(=O)(=O)c2cc(F)c(Br)cc2C)C1 ZINC000624351950 565552088 /nfs/dbraw/zinc/55/20/88/565552088.db2.gz CGASPXJSOIOTRA-LLVKDONJSA-N 1 0 379.295 2.517 20 0 GFADRO Cc1cc(Br)c(F)cc1S(=O)(=O)N1CCCC[C@@H]1CC[NH3+] ZINC000624365398 565553219 /nfs/dbraw/zinc/55/32/19/565553219.db2.gz VMMGQYJFZKYVMZ-LLVKDONJSA-N 1 0 379.295 2.789 20 0 GFADRO COC(=O)[C@@H]1OCC[C@@H]1[NH2+]Cc1cnc(-c2ccc(Br)cc2)s1 ZINC000597185362 565553905 /nfs/dbraw/zinc/55/39/05/565553905.db2.gz BNKUWPHUXMJHBM-UONOGXRCSA-N 1 0 397.294 2.993 20 0 GFADRO C[N@H+]1C[C@H]2[C@@H](CCN2S(=O)(=O)Cc2ccc(Br)cc2Cl)C1 ZINC000645724263 565555234 /nfs/dbraw/zinc/55/52/34/565555234.db2.gz NUQBMURITDUCCJ-HZMBPMFUSA-N 1 0 393.734 2.568 20 0 GFADRO COC(=O)CN1CCC([NH2+]CC2(Cc3ccc(Br)cc3)CC2)CC1 ZINC000597208631 565555958 /nfs/dbraw/zinc/55/59/58/565555958.db2.gz DVYLOAWMSABVQO-UHFFFAOYSA-N 1 0 395.341 2.999 20 0 GFADRO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)Nc1cc(Cl)c(F)c(Cl)c1 ZINC000666888237 565560857 /nfs/dbraw/zinc/56/08/57/565560857.db2.gz AGBPGYRTSPDVJL-UHFFFAOYSA-N 1 0 379.263 2.616 20 0 GFADRO O=C(NCC12CCC[NH+]1CCC2)c1cc(I)ccc1F ZINC000597587774 565566481 /nfs/dbraw/zinc/56/64/81/565566481.db2.gz XKTIVSZXCTVQKJ-UHFFFAOYSA-N 1 0 388.224 2.789 20 0 GFADRO O=C(NCC1C[NH2+]C1)Nc1ccnc(Oc2ccccc2Br)c1 ZINC000667133463 565572420 /nfs/dbraw/zinc/57/24/20/565572420.db2.gz DCQTVWMIEAAVGZ-UHFFFAOYSA-N 1 0 377.242 2.977 20 0 GFADRO CN1CCOC[C@@H]1CNC(=O)N1CCC[C@H]1c1ccc(Br)cc1 ZINC000624742637 565573270 /nfs/dbraw/zinc/57/32/70/565573270.db2.gz YNRIEFLDIVWWJJ-HOTGVXAUSA-N 1 0 382.302 2.626 20 0 GFADRO Cc1cc([C@@H]2CCCN2C(=O)NC[C@@H]2COCCN2C)ccc1Br ZINC000624738753 565573987 /nfs/dbraw/zinc/57/39/87/565573987.db2.gz OMWYNARKEZBTEH-WBVHZDCISA-N 1 0 396.329 2.935 20 0 GFADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)COCC(F)F ZINC000624764522 565575226 /nfs/dbraw/zinc/57/52/26/565575226.db2.gz YAOSRIZZLNOLSY-UHFFFAOYSA-N 1 0 379.245 2.621 20 0 GFADRO O=C(Nc1nnc(CC(F)(F)F)s1)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000667231680 565579458 /nfs/dbraw/zinc/57/94/58/565579458.db2.gz XWVWZQOGRSBVDH-MNOVXSKESA-N 1 0 377.436 2.886 20 0 GFADRO O=C(NC[C@H]1CCCC[NH2+]1)C(=O)Nc1ccc(-c2ccc(Cl)s2)nc1 ZINC000667263130 565580369 /nfs/dbraw/zinc/58/03/69/565580369.db2.gz WBZWUVOQYIZSTK-LLVKDONJSA-N 1 0 378.885 2.660 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)Cc2cccc(I)c2)C1 ZINC000597921898 565581631 /nfs/dbraw/zinc/58/16/31/565581631.db2.gz HNRIUSXWTKCYBE-AWEZNQCLSA-N 1 0 386.277 2.823 20 0 GFADRO CCN(C(=O)c1cc(F)ccc1I)[C@H]1CC[N@H+](C)C1 ZINC000597946306 565583487 /nfs/dbraw/zinc/58/34/87/565583487.db2.gz OBQYJRQKDHZIRQ-NSHDSACASA-N 1 0 376.213 2.597 20 0 GFADRO CN(CC(C)(C)C[NH3+])C(=O)C(=O)Nc1cc(Br)c(F)cc1Cl ZINC000667388870 565584527 /nfs/dbraw/zinc/58/45/27/565584527.db2.gz YXSDNECRKKVRGA-UHFFFAOYSA-N 1 0 394.672 2.623 20 0 GFADRO O=C(NCC[NH2+]C1CC1)Nc1ccnn1Cc1ccc(Br)cc1 ZINC000667428671 565586797 /nfs/dbraw/zinc/58/67/97/565586797.db2.gz RBBNUHDBXMZWLA-UHFFFAOYSA-N 1 0 378.274 2.567 20 0 GFADRO C[C@@H](Sc1ccc(Br)cc1)C(=O)N[C@@H](CO)C[NH+]1CCCC1 ZINC000646221216 565591879 /nfs/dbraw/zinc/59/18/79/565591879.db2.gz BQSPWGLLGXHYEU-TZMCWYRMSA-N 1 0 387.343 2.503 20 0 GFADRO CC[C@@H]1CN(C(=O)C(=O)Nc2cccc(Br)c2Cl)CC[C@@H]1[NH3+] ZINC000667548303 565594573 /nfs/dbraw/zinc/59/45/73/565594573.db2.gz LFKVWJLGMCGIQY-KOLCDFICSA-N 1 0 388.693 2.627 20 0 GFADRO CC[C@@H]1CN(C(=O)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)CC[C@@H]1[NH3+] ZINC000667548349 565594866 /nfs/dbraw/zinc/59/48/66/565594866.db2.gz MAORBXLDRBHUCK-SKDRFNHKSA-N 1 0 377.794 2.883 20 0 GFADRO C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)Nc1ccc2nccnc2c1Br ZINC000667590686 565595810 /nfs/dbraw/zinc/59/58/10/565595810.db2.gz KZEMTORLQROEOK-CABZTGNLSA-N 1 0 394.273 2.627 20 0 GFADRO C[C@@H]1COCC[N@@H+]1C1CCN(C(=O)Cc2ccc(Br)cc2)CC1 ZINC000646315596 565596283 /nfs/dbraw/zinc/59/62/83/565596283.db2.gz MJWDARLQZPLLCV-CQSZACIVSA-N 1 0 381.314 2.703 20 0 GFADRO Cc1c(Br)cncc1CN1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000667602955 565597376 /nfs/dbraw/zinc/59/73/76/565597376.db2.gz SVDICDUAXCDTQJ-QGZVFWFLSA-N 1 0 381.362 2.754 20 0 GFADRO O=C(Nc1ccc(Br)cc1)C(=O)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000667638259 565597834 /nfs/dbraw/zinc/59/78/34/565597834.db2.gz NLHJXCOQMHHOSC-KBPBESRZSA-N 1 0 394.313 2.626 20 0 GFADRO Cc1sc2nc(C)nc(SCC(=O)N3CC[C@@H]4CC[NH2+][C@@H]4C3)c2c1C ZINC000646345239 565598676 /nfs/dbraw/zinc/59/86/76/565598676.db2.gz OQWWXANRHLZTFK-UONOGXRCSA-N 1 0 376.551 2.919 20 0 GFADRO CC(=O)NC[C@@H]1CCC[N@@H+]([C@H]2CCc3cc(Br)ccc3NC2=O)C1 ZINC000625108411 565598923 /nfs/dbraw/zinc/59/89/23/565598923.db2.gz OMHJLUVWMRBDRA-GUYCJALGSA-N 1 0 394.313 2.551 20 0 GFADRO Cn1nc2cc(Br)ccc2c1C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000646362033 565599650 /nfs/dbraw/zinc/59/96/50/565599650.db2.gz JYQOZEMNLISQAK-KRWDZBQOSA-N 1 0 377.286 2.552 20 0 GFADRO COc1ccc(Br)c(CNC(=O)Nc2cnc3c(c2)C[NH2+]CC3)c1 ZINC000667794050 565606107 /nfs/dbraw/zinc/60/61/07/565606107.db2.gz WWKUWNLFVSPTGP-UHFFFAOYSA-N 1 0 391.269 2.820 20 0 GFADRO COc1ccc(Br)c(C(=O)NCCC[NH2+][C@H]2CO[C@H](C3CC3)C2)c1 ZINC000667836600 565607572 /nfs/dbraw/zinc/60/75/72/565607572.db2.gz VLCKFMIDXMIHKJ-DYVFJYSZSA-N 1 0 397.313 2.735 20 0 GFADRO CC[N@H+](CC(=O)Nc1nc2cc(I)ccc2[nH]1)C1CC1 ZINC000598424169 565615737 /nfs/dbraw/zinc/61/57/37/565615737.db2.gz NQHKGNGXSDKCCQ-UHFFFAOYSA-N 1 0 384.221 2.590 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000646762954 565618007 /nfs/dbraw/zinc/61/80/07/565618007.db2.gz LPGXANBJCJTSCO-MEDUHNTESA-N 1 0 377.286 2.753 20 0 GFADRO CCCN(C(=O)C(=O)Nc1c(C)cc(C)cc1Br)[C@@H]1CC[N@H+](C)C1 ZINC000646765776 565618078 /nfs/dbraw/zinc/61/80/78/565618078.db2.gz KZHPZXYDKINMLY-CQSZACIVSA-N 1 0 396.329 2.947 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CN(C(=O)CCCCOc2ccc(Br)cc2)CCO1 ZINC000646844841 565622916 /nfs/dbraw/zinc/62/29/16/565622916.db2.gz BQCJYRGPFZOKKQ-BBRMVZONSA-N 1 0 385.302 2.573 20 0 GFADRO C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCN(c4ccc(Cl)c(Cl)c4)C3=O)[C@@H]2C1 ZINC000646917947 565625082 /nfs/dbraw/zinc/62/50/82/565625082.db2.gz KDHDHRLGBIICHA-NORZTCDRSA-N 1 0 382.291 2.509 20 0 GFADRO C[N@@H+]1CCCC[C@H](CNS(=O)(=O)Cc2cc(F)ccc2Br)C1 ZINC000625426442 565629083 /nfs/dbraw/zinc/62/90/83/565629083.db2.gz WSGHZEJYYCDDOT-GFCCVEGCSA-N 1 0 393.322 2.740 20 0 GFADRO CC[C@H]1CN(C(=O)Cc2csc(NC(=O)c3cccs3)n2)CC[C@@H]1[NH3+] ZINC000647006532 565631977 /nfs/dbraw/zinc/63/19/77/565631977.db2.gz RPLDDBFOVAXMPB-AAEUAGOBSA-N 1 0 378.523 2.585 20 0 GFADRO CC[C@H]1CN(C(=O)CNC(=O)c2sc3ccccc3c2Cl)CC[C@@H]1[NH3+] ZINC000647006540 565632045 /nfs/dbraw/zinc/63/20/45/565632045.db2.gz RSFRBPCZOXSYDN-AAEUAGOBSA-N 1 0 379.913 2.870 20 0 GFADRO COc1ccc(Br)cc1C[C@H](CO)C[NH2+][C@@H]1CO[C@H](C2CC2)C1 ZINC000668225387 565633604 /nfs/dbraw/zinc/63/36/04/565633604.db2.gz LJYDBQFEPHMRLD-IWEFOYFVSA-N 1 0 384.314 2.766 20 0 GFADRO CC[C@@H]1CN(C(=O)c2cn(-c3ccc(Br)cc3)cn2)CC[C@@H]1[NH3+] ZINC000647013979 565633664 /nfs/dbraw/zinc/63/36/64/565633664.db2.gz RQBAVFLSXUGBRB-DOMZBBRYSA-N 1 0 377.286 2.834 20 0 GFADRO C[NH+]1CCC(N2CC[C@H](NC(=O)c3sc4ncccc4c3Cl)C2)CC1 ZINC000625521195 565635131 /nfs/dbraw/zinc/63/51/31/565635131.db2.gz ZDNGEBFJFYHNIY-LBPRGKRZSA-N 1 0 378.929 2.848 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)c2ccc(Br)c(Cl)c2)CC12CCOCC2 ZINC000647078608 565635521 /nfs/dbraw/zinc/63/55/21/565635521.db2.gz IORNCDDPHLUGFS-LBPRGKRZSA-N 1 0 387.705 2.930 20 0 GFADRO C[C@@H](Oc1cc(Cl)cc(Cl)c1)C(=O)N1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000647079341 565635587 /nfs/dbraw/zinc/63/55/87/565635587.db2.gz WSDZFPYXGLFYRL-CHWSQXEVSA-N 1 0 387.307 2.975 20 0 GFADRO O=C(N[C@H]1C[NH2+]CCC1(F)F)c1cnn(-c2ccc(Cl)cc2Cl)c1 ZINC000647075974 565635967 /nfs/dbraw/zinc/63/59/67/565635967.db2.gz FWMINOPCVYAXJU-ZDUSSCGKSA-N 1 0 375.206 2.906 20 0 GFADRO COC[C@H]([NH2+][C@@H]1CCc2cc(Br)ccc2NC1=O)C1CCOCC1 ZINC000625531093 565636206 /nfs/dbraw/zinc/63/62/06/565636206.db2.gz ONUJDVJDFRNJSQ-SJORKVTESA-N 1 0 397.313 2.734 20 0 GFADRO O[C@H](COc1c(Cl)cccc1Cl)C[NH+]1CCC(N2CCOCC2)CC1 ZINC000625553580 565639069 /nfs/dbraw/zinc/63/90/69/565639069.db2.gz UCKPYCTVBYSXQR-HNNXBMFYSA-N 1 0 389.323 2.530 20 0 GFADRO O=S(=O)(c1ccc(Cl)c(-c2nc([C@@H]3CCC[NH2+]3)no2)c1)N1CCCC1 ZINC000647155035 565641753 /nfs/dbraw/zinc/64/17/53/565641753.db2.gz QBBWPTSLAHXDRS-AWEZNQCLSA-N 1 0 382.873 2.599 20 0 GFADRO COc1ccccc1[C@H]([NH3+])CNS(=O)(=O)Cc1ccc(Br)cc1 ZINC000647187887 565643901 /nfs/dbraw/zinc/64/39/01/565643901.db2.gz ZOUNKQMAPKZLGV-OAHLLOKOSA-N 1 0 399.310 2.577 20 0 GFADRO COc1ccccc1[C@H]([NH3+])CNS(=O)(=O)c1cccc(C)c1Br ZINC000647187786 565644367 /nfs/dbraw/zinc/64/43/67/565644367.db2.gz WWLXLQDHZDCRBS-CYBMUJFWSA-N 1 0 399.310 2.744 20 0 GFADRO O=S(=O)(c1cc(Cl)ccc1OC(F)F)N(C1CC1)C1CC[NH2+]CC1 ZINC000647190989 565645517 /nfs/dbraw/zinc/64/55/17/565645517.db2.gz ZJPCGPNIKAWAIG-UHFFFAOYSA-N 1 0 380.844 2.847 20 0 GFADRO C[C@H]([NH3+])C1CCN(S(=O)(=O)Cc2ccc(Br)cc2Cl)CC1 ZINC000647211066 565646096 /nfs/dbraw/zinc/64/60/96/565646096.db2.gz QRYZVQUUVQCBDU-JTQLQIEISA-N 1 0 395.750 2.992 20 0 GFADRO COc1ccc(CCC(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)c(Br)c1 ZINC000668457762 565646886 /nfs/dbraw/zinc/64/68/86/565646886.db2.gz OSWGKRFPYOZMDB-OAHLLOKOSA-N 1 0 381.314 2.991 20 0 GFADRO CC(C)C[NH+]1CCC(NC(=O)C(=O)NCc2ccc(Cl)c(Cl)c2)CC1 ZINC000668426310 565647259 /nfs/dbraw/zinc/64/72/59/565647259.db2.gz KMGDOVDPUDQLDR-UHFFFAOYSA-N 1 0 386.323 2.846 20 0 GFADRO CC(C)C[C@@H](C[NH3+])NS(=O)(=O)c1ccc2c(Br)cn(C)c2c1 ZINC000647221989 565647421 /nfs/dbraw/zinc/64/74/21/565647421.db2.gz OALCNTNMQJPBNS-NSHDSACASA-N 1 0 388.331 2.593 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+]C[C@H]2C[C@@H]2c2ccccc2)cc1Br ZINC000647230259 565647485 /nfs/dbraw/zinc/64/74/85/565647485.db2.gz OXGDXBGNWRCRSW-HUUCEWRRSA-N 1 0 395.322 2.990 20 0 GFADRO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)[C@@H]1CCO[C@H]1c1cncc(Br)c1 ZINC000668457975 565647669 /nfs/dbraw/zinc/64/76/69/565647669.db2.gz UZUWUGWMVALZFW-ZACQAIPSSA-N 1 0 394.313 2.522 20 0 GFADRO COc1cc(Br)c(C[NH2+]CC(C)(C)[C@]2(O)CCOC2)cc1OC ZINC000647246095 565648521 /nfs/dbraw/zinc/64/85/21/565648521.db2.gz WHBSHQBWFLBCBC-KRWDZBQOSA-N 1 0 388.302 2.734 20 0 GFADRO CC(C)(C[NH2+]Cc1cn(-c2ccc(Cl)c(Cl)c2)nn1)[C@@]1(O)CCOC1 ZINC000647247739 565649357 /nfs/dbraw/zinc/64/93/57/565649357.db2.gz ZFPUOWYJPVCLNU-QGZVFWFLSA-N 1 0 385.295 2.841 20 0 GFADRO CO[C@]1(CO)CCC[N@H+](Cc2cn(-c3ccccc3Br)nc2C)C1 ZINC000668498254 565650551 /nfs/dbraw/zinc/65/05/51/565650551.db2.gz PENWNWFBYHVATH-GOSISDBHSA-N 1 0 394.313 2.917 20 0 GFADRO O=S(=O)(c1cc(Cl)ccc1OCC1CCC1)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000647264302 565650590 /nfs/dbraw/zinc/65/05/90/565650590.db2.gz XFPCDQDJRWTSGI-GDBMZVCRSA-N 1 0 384.929 2.891 20 0 GFADRO C[C@@H]1C[C@@H](C[NH3+])CN1S(=O)(=O)Cc1ccc(Br)cc1Cl ZINC000647265512 565650876 /nfs/dbraw/zinc/65/08/76/565650876.db2.gz PNEUUWWUQZTKST-ZJUUUORDSA-N 1 0 381.723 2.601 20 0 GFADRO CC[C@@H]1CN(S(=O)(=O)c2cc(Cl)ccc2OCCCOC)CC[C@H]1[NH3+] ZINC000647268447 565651706 /nfs/dbraw/zinc/65/17/06/565651706.db2.gz CGBHGPCIDPKQHQ-UKRRQHHQSA-N 1 0 390.933 2.503 20 0 GFADRO CC[C@@H]1CN(S(=O)(=O)c2cc(Cl)ccc2O[C@H](C)COC)CC[C@@H]1[NH3+] ZINC000647268386 565651931 /nfs/dbraw/zinc/65/19/31/565651931.db2.gz AWVDFCMWGJQHOK-NFAWXSAZSA-N 1 0 390.933 2.502 20 0 GFADRO C[NH2+][C@@H]1CCCN(S(=O)(=O)c2ccc3ccccc3c2Br)C1 ZINC000647278172 565653941 /nfs/dbraw/zinc/65/39/41/565653941.db2.gz IPNUNXBTJVQTEP-CYBMUJFWSA-N 1 0 383.311 2.975 20 0 GFADRO Cc1noc([C@@H]2OCC[C@@H]2[NH2+]Cc2cccc(I)c2)n1 ZINC000599019163 565653930 /nfs/dbraw/zinc/65/39/30/565653930.db2.gz DSNHMHCWFOTKPP-QWHCGFSZSA-N 1 0 385.205 2.602 20 0 GFADRO C[NH2+][C@@H]1CCCN(S(=O)(=O)Cc2ccc(Br)cc2Cl)C1 ZINC000647278212 565654572 /nfs/dbraw/zinc/65/45/72/565654572.db2.gz PJBSWZCWAYFZRQ-GFCCVEGCSA-N 1 0 381.723 2.616 20 0 GFADRO Cc1sc(Br)cc1S(=O)(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000647300528 565655368 /nfs/dbraw/zinc/65/53/68/565655368.db2.gz ZOAVBVRLLGVUEA-LBPRGKRZSA-N 1 0 393.372 2.829 20 0 GFADRO COC(=O)CCNC(=O)CC[NH2+][C@H](C)c1ccc(Br)c(Cl)c1 ZINC000599079847 565655367 /nfs/dbraw/zinc/65/53/67/565655367.db2.gz DONJUYLIEJRCNI-SNVBAGLBSA-N 1 0 391.693 2.823 20 0 GFADRO C[C@H](CCc1ccc(I)cc1)[NH2+]C[C@@H](O)[C@H]1CCCO1 ZINC000599065426 565655966 /nfs/dbraw/zinc/65/59/66/565655966.db2.gz LKUXFNXTDHJMMS-DAXOMENPSA-N 1 0 389.277 2.742 20 0 GFADRO O=S(=O)(N[C@@H]1C[NH2+]CCC1(F)F)c1cc(C(F)(F)F)ccc1Cl ZINC000647319147 565656237 /nfs/dbraw/zinc/65/62/37/565656237.db2.gz NUMZJUHRSUUNNP-SNVBAGLBSA-N 1 0 378.750 2.634 20 0 GFADRO COC(=O)CCNC(=O)CC[NH2+][C@@H](c1ccc(Br)cc1)C1CC1 ZINC000599088051 565656433 /nfs/dbraw/zinc/65/64/33/565656433.db2.gz IKPGHMUHBFWFLS-QGZVFWFLSA-N 1 0 383.286 2.559 20 0 GFADRO [NH3+]C[C@H]1CN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)CC12CCOCC2 ZINC000647322688 565657888 /nfs/dbraw/zinc/65/78/88/565657888.db2.gz HNGFATQUDDTZPL-ZDUSSCGKSA-N 1 0 393.336 2.511 20 0 GFADRO OCc1ccc(C[NH2+][C@]2(CO)CCc3cc(Br)ccc3C2)cc1 ZINC000625796083 565660445 /nfs/dbraw/zinc/66/04/45/565660445.db2.gz FBQZTWZOCURGGP-LJQANCHMSA-N 1 0 376.294 2.951 20 0 GFADRO C[C@H]1CCCN1C(=O)CC[NH2+][C@@]1(CO)CCc2cc(Br)ccc2C1 ZINC000625795686 565660703 /nfs/dbraw/zinc/66/07/03/565660703.db2.gz ZXWBMRKJXZOQFH-LIRRHRJNSA-N 1 0 395.341 2.660 20 0 GFADRO Cc1cc(Br)cc(CN2CCO[C@@H]([C@@H](C)[NH3+])C2)c1OC(F)F ZINC000647507491 565661902 /nfs/dbraw/zinc/66/19/02/565661902.db2.gz QVCQFYRBCMPQPN-ZWNOBZJWSA-N 1 0 379.245 2.907 20 0 GFADRO CC[C@H](C)C[C@@H](CO)[NH2+]C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000647525055 565662623 /nfs/dbraw/zinc/66/26/23/565662623.db2.gz UZKSXMNNFRLCFJ-CQDKDKBSSA-N 1 0 378.282 2.715 20 0 GFADRO Cc1ccccc1C[C@@H](CO)[NH2+]C[C@H](O)COc1ccc(Br)cc1 ZINC000647525255 565662661 /nfs/dbraw/zinc/66/26/61/565662661.db2.gz ITEKILROLBQPRE-ROUUACIJSA-N 1 0 394.309 2.690 20 0 GFADRO C[C@H]1CC[C@H](NC(=O)Nc2cnn(-c3ccccc3Br)c2)C[NH2+]1 ZINC000625872639 565663581 /nfs/dbraw/zinc/66/35/81/565663581.db2.gz WTJZCKNGSHZOBV-RYUDHWBXSA-N 1 0 378.274 2.897 20 0 GFADRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)Nc1cc(Br)ccc1-n1cccn1 ZINC000625860075 565663784 /nfs/dbraw/zinc/66/37/84/565663784.db2.gz NILHMHCGIYBJJW-QWHCGFSZSA-N 1 0 378.274 2.897 20 0 GFADRO CCN(CC[NH3+])C(=O)Nc1cccc(Oc2ncc(Br)cn2)c1 ZINC000625869985 565663793 /nfs/dbraw/zinc/66/37/93/565663793.db2.gz XGJCTIQUIIPBMV-UHFFFAOYSA-N 1 0 380.246 2.844 20 0 GFADRO CC[C@H]([NH2+]CCC(=O)Nc1cc(OC)c(Cl)cc1OC)[C@@H](O)C(F)F ZINC000647536714 565663945 /nfs/dbraw/zinc/66/39/45/565663945.db2.gz YJOVPUQMTWYZQD-ZUZCIYMTSA-N 1 0 380.819 2.680 20 0 GFADRO Cc1c(Br)cccc1C[C@@H](CO)C[NH2+]C[C@](C)(O)C(F)(F)F ZINC000647536930 565664206 /nfs/dbraw/zinc/66/42/06/565664206.db2.gz IJXDHLFEILMWNN-RISCZKNCSA-N 1 0 384.236 2.811 20 0 GFADRO C[C@@H]1CC[C@H](NC(=O)Nc2ccnn2Cc2ccc(Br)cc2)C[NH2+]1 ZINC000625880652 565664257 /nfs/dbraw/zinc/66/42/57/565664257.db2.gz HFRWVWJRUBTEMR-DOMZBBRYSA-N 1 0 392.301 2.956 20 0 GFADRO C[C@H]1CC[C@@H](NC(=O)Nc2ccnn2Cc2cccc(Br)c2)C[NH2+]1 ZINC000625880861 565664684 /nfs/dbraw/zinc/66/46/84/565664684.db2.gz RVFVJXKDYZXYKF-SWLSCSKDSA-N 1 0 392.301 2.956 20 0 GFADRO C[NH+](C)CCC[C@H]1CN(Cc2cc(Br)cc3c2OCC3)CCO1 ZINC000668785412 565665625 /nfs/dbraw/zinc/66/56/25/565665625.db2.gz PTNFPWQYMCHHFC-KRWDZBQOSA-N 1 0 383.330 2.927 20 0 GFADRO COc1cc(NC(=O)NC2(C[NH3+])CCOCC2)c(Cl)cc1Br ZINC000625900706 565665663 /nfs/dbraw/zinc/66/56/63/565665663.db2.gz CPJJOSVOOJGNGP-UHFFFAOYSA-N 1 0 392.681 2.741 20 0 GFADRO CCOc1cc(Br)c(F)cc1NC(=O)N(C)CCOCC[NH2+]C ZINC000625890011 565665709 /nfs/dbraw/zinc/66/57/09/565665709.db2.gz QKIWPSPKKMJCIG-UHFFFAOYSA-N 1 0 392.269 2.687 20 0 GFADRO COc1ncc(Br)cc1CNC(=O)Nc1cc(C)cc(C[NH3+])c1 ZINC000625899102 565665730 /nfs/dbraw/zinc/66/57/30/565665730.db2.gz JVNOFUFGYCFZCN-UHFFFAOYSA-N 1 0 379.258 2.942 20 0 GFADRO C[C@@H](NC(=O)N[C@H](C[NH3+])C(F)(F)F)c1cc(F)c(Br)cc1F ZINC000625899512 565666216 /nfs/dbraw/zinc/66/62/16/565666216.db2.gz VUEMJQRKJABYIC-GPXNAGAYSA-N 1 0 390.150 2.977 20 0 GFADRO Cc1nc(C(=O)N2CCC3(C[NH+](C)C3)C2)nn1-c1c(Cl)cccc1Cl ZINC000647621959 565667450 /nfs/dbraw/zinc/66/74/50/565667450.db2.gz MFDQIMPYFFIHKX-UHFFFAOYSA-N 1 0 380.279 2.660 20 0 GFADRO Cc1cc(C(=O)NC[C@H]2C[N@@H+]3CCN2CCC3)cc(Cl)c1Br ZINC000647679126 565670817 /nfs/dbraw/zinc/67/08/17/565670817.db2.gz PIXZWURDTRBBKX-ZDUSSCGKSA-N 1 0 386.721 2.531 20 0 GFADRO C[C@H]1C[C@@H](c2ccc(Br)cc2)C[N@@H+]1CCN1CCCS1(=O)=O ZINC000626040294 565671983 /nfs/dbraw/zinc/67/19/83/565671983.db2.gz BFZLJUIXKQMLSM-DZGCQCFKSA-N 1 0 387.343 2.662 20 0 GFADRO C[C@@H]1C[C@@H](c2ccc(Br)cc2)C[N@@H+]1CCCN1C(=O)CNC1=O ZINC000626040205 565673033 /nfs/dbraw/zinc/67/30/33/565673033.db2.gz ZCJNKEUVWJWCTD-TZMCWYRMSA-N 1 0 380.286 2.569 20 0 GFADRO OCC[C@@H]([NH2+]C[C@H](O)COC1CCOCC1)c1cc(Cl)cc(Cl)c1 ZINC000626101465 565675666 /nfs/dbraw/zinc/67/56/66/565675666.db2.gz TWURSNXCKNUIRW-DOTOQJQBSA-N 1 0 378.296 2.563 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc(Br)cc3[nH]c(=O)[nH]c32)[C@H](C)C1 ZINC000669124399 565678567 /nfs/dbraw/zinc/67/85/67/565678567.db2.gz OXQFPBCDCKYGDR-YGRLFVJLSA-N 1 0 395.301 2.833 20 0 GFADRO O=C(NCc1ccc(Cl)c(Cl)c1)C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000669122552 565678737 /nfs/dbraw/zinc/67/87/37/565678737.db2.gz UJZYDOPMFULBPL-UHFFFAOYSA-N 1 0 384.307 2.743 20 0 GFADRO COc1ccc(Br)cc1C(=O)CCC(=O)N1CC[NH2+]CC1(C)C ZINC000647840151 565679878 /nfs/dbraw/zinc/67/98/78/565679878.db2.gz RHPZMYKYZMYQNM-UHFFFAOYSA-N 1 0 383.286 2.631 20 0 GFADRO CN1CC[NH+](CC2CN(C(=O)c3[nH]c4ccc(Cl)cc4c3Cl)C2)CC1 ZINC000647825404 565680059 /nfs/dbraw/zinc/68/00/59/565680059.db2.gz VTQOKVBIOZXLIC-UHFFFAOYSA-N 1 0 381.307 2.794 20 0 GFADRO C[NH2+]C[C@@H]1C[C@H](F)CN1Cc1nc(-c2cc(Br)cs2)no1 ZINC000647959516 565684582 /nfs/dbraw/zinc/68/45/82/565684582.db2.gz VDEUZDKBDHNBBN-UWVGGRQHSA-N 1 0 375.267 2.692 20 0 GFADRO Cc1nn(C)c(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1Br ZINC000647984048 565686036 /nfs/dbraw/zinc/68/60/36/565686036.db2.gz IKSOPWFZJXZTGI-CQSZACIVSA-N 1 0 392.301 2.887 20 0 GFADRO CCCN(Cc1cn(-c2ccccc2Br)nn1)[C@@H]1CC[N@H+](C)C1 ZINC000648056350 565690086 /nfs/dbraw/zinc/69/00/86/565690086.db2.gz DPMZURVSXOAETG-OAHLLOKOSA-N 1 0 378.318 2.946 20 0 GFADRO CC1([NH3+])CCN(C(=O)C2(c3ccc(Br)cc3)CCOCC2)CC1 ZINC000648120453 565690857 /nfs/dbraw/zinc/69/08/57/565690857.db2.gz CXKFFCDFILFBGD-UHFFFAOYSA-N 1 0 381.314 2.837 20 0 GFADRO [NH3+]C1(C(=O)N2CCOc3ccc(Br)cc3C2)Cc2ccccc2C1 ZINC000648173704 565691930 /nfs/dbraw/zinc/69/19/30/565691930.db2.gz IKEORKSFHSPACV-UHFFFAOYSA-N 1 0 387.277 2.666 20 0 GFADRO COC(=O)c1cc(NC(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)c(C)cc1Br ZINC000599605261 565692791 /nfs/dbraw/zinc/69/27/91/565692791.db2.gz XRIXMBQTAWOLBS-WDEREUQCSA-N 1 0 384.274 2.806 20 0 GFADRO COC(=O)c1c(C)csc1NC(=O)N1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000599604111 565692883 /nfs/dbraw/zinc/69/28/83/565692883.db2.gz LLSYXIDHYMDCIJ-ZJUUUORDSA-N 1 0 379.404 2.834 20 0 GFADRO O=C(C[C@H]1Sc2ccc(Cl)cc2NC1=O)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000648182697 565693077 /nfs/dbraw/zinc/69/30/77/565693077.db2.gz OKQGITSHJHRCNQ-IUODEOHRSA-N 1 0 379.913 2.934 20 0 GFADRO COc1cc(Br)ccc1CNC(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000669565651 565693318 /nfs/dbraw/zinc/69/33/18/565693318.db2.gz OUTVGMAOZNHRIE-DZGCQCFKSA-N 1 0 396.329 2.989 20 0 GFADRO O=C(NCC[NH2+]C1CC1)NCc1cc(Br)ccc1Br ZINC000669564794 565693358 /nfs/dbraw/zinc/69/33/58/565693358.db2.gz MOUHCIAOBBTLLG-UHFFFAOYSA-N 1 0 391.107 2.763 20 0 GFADRO O=C(C[C@H]1Sc2ccc(Cl)cc2NC1=O)N[C@H]1CC[NH2+]C12CCCC2 ZINC000648207989 565693748 /nfs/dbraw/zinc/69/37/48/565693748.db2.gz SMFBDXDCNVDHBH-CABCVRRESA-N 1 0 379.913 2.934 20 0 GFADRO C[C@@H]1C[C@@H](c2ccc(Br)cc2)C[N@@H+]1CC(=O)NC(=O)NC1CC1 ZINC000599653909 565694986 /nfs/dbraw/zinc/69/49/86/565694986.db2.gz XEOREQLTFVXSRW-DGCLKSJQSA-N 1 0 380.286 2.615 20 0 GFADRO Cc1noc([C@@H]2OCC[C@@H]2[NH2+]CC[S@](=O)c2cc(Cl)ccc2Cl)n1 ZINC000599684929 565696068 /nfs/dbraw/zinc/69/60/68/565696068.db2.gz JTQBZWUDFOEAIC-YZYGWBJASA-N 1 0 390.292 2.912 20 0 GFADRO O=C(c1cc(Br)cc2nc[nH]c21)N1CCN(c2cc[nH+]cc2)CC1 ZINC000669694161 565698969 /nfs/dbraw/zinc/69/89/69/565698969.db2.gz ALAUNISFITWVTD-UHFFFAOYSA-N 1 0 386.253 2.683 20 0 GFADRO CS(=O)(=O)NC1CC([NH2+]Cc2ccc(-c3cccc(Br)c3)o2)C1 ZINC000669831985 565703227 /nfs/dbraw/zinc/70/32/27/565703227.db2.gz NLHFEWWJTICSDJ-UHFFFAOYSA-N 1 0 399.310 2.879 20 0 GFADRO CN(C(=O)c1cnn(-c2cccc(Br)c2)c1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000599869923 565704505 /nfs/dbraw/zinc/70/45/05/565704505.db2.gz ALNMVJVVTOKNEE-QGZVFWFLSA-N 1 0 389.297 2.944 20 0 GFADRO C[NH+](C)C[C@@]1(O)CCCN(C(=O)c2ccc(OC(F)(F)F)c(Cl)c2)C1 ZINC000626679415 565708170 /nfs/dbraw/zinc/70/81/70/565708170.db2.gz SBDOBVBVFHIFOL-HNNXBMFYSA-N 1 0 380.794 2.767 20 0 GFADRO C[C@@H]([NH2+]CC(=O)N([C@@H]1CCS(=O)(=O)C1)C1CCCCC1)c1ccsc1 ZINC000669938627 565708446 /nfs/dbraw/zinc/70/84/46/565708446.db2.gz TUQFVBKEBVWCBC-RHSMWYFYSA-N 1 0 384.567 2.747 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)CC[C@@H]1C(F)(F)F ZINC000626861103 565713177 /nfs/dbraw/zinc/71/31/77/565713177.db2.gz LXORINNKGZXNDR-UFBFGSQYSA-N 1 0 398.212 2.918 20 0 GFADRO O=S1(=O)CCCN1CCC[NH2+][C@@H]1CCc2c1ccc(F)c2Br ZINC000648448871 565713891 /nfs/dbraw/zinc/71/38/91/565713891.db2.gz SOYSRJWQRYOYKG-CQSZACIVSA-N 1 0 391.306 2.591 20 0 GFADRO CN(C)c1nc(CNC(=O)N[C@@H](C[NH+](C)C)c2ccc(Cl)cc2)cs1 ZINC000670132977 565716432 /nfs/dbraw/zinc/71/64/32/565716432.db2.gz XIUPASSORMZGTK-HNNXBMFYSA-N 1 0 381.933 2.965 20 0 GFADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[N@@H+]1CCC[C@H](OC)CC1 ZINC000648512637 565717316 /nfs/dbraw/zinc/71/73/16/565717316.db2.gz XBKJAPILOOOZNF-CJNGLKHVSA-N 1 0 399.329 2.963 20 0 GFADRO Cc1cc(Br)c(C[NH2+]C2CC(NS(C)(=O)=O)C2)cc1Cl ZINC000648571138 565718004 /nfs/dbraw/zinc/71/80/04/565718004.db2.gz NUSVKNMNHNBUER-UHFFFAOYSA-N 1 0 381.723 2.581 20 0 GFADRO CCOC(=O)COc1c(Br)cc(C)cc1C[NH2+][C@H]1C[C@H](OC)C1 ZINC000600213471 565718487 /nfs/dbraw/zinc/71/84/87/565718487.db2.gz GNMIJJQEGKHKLI-HDJSIYSDSA-N 1 0 386.286 2.966 20 0 GFADRO CCCOC[C@@H](Cc1cccc(Br)c1)NC(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627017642 565719828 /nfs/dbraw/zinc/71/98/28/565719828.db2.gz XVMOZFWISZWNOV-IAOVAPTHSA-N 1 0 398.345 2.836 20 0 GFADRO COc1ncc(Br)cc1CNC(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000627080693 565720500 /nfs/dbraw/zinc/72/05/00/565720500.db2.gz RXIDHFJHYOUPAQ-NSHDSACASA-N 1 0 393.285 2.872 20 0 GFADRO O=C(NCCC1CC[NH2+]CC1)NCc1cc(F)c(Br)cc1F ZINC000627111115 565721887 /nfs/dbraw/zinc/72/18/87/565721887.db2.gz MUFGNCQKLUFIEM-UHFFFAOYSA-N 1 0 376.245 2.916 20 0 GFADRO Cc1cc(Br)ccc1[C@H]1CCCN1C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000627101950 565721907 /nfs/dbraw/zinc/72/19/07/565721907.db2.gz GPIKZSGVIPVBEJ-GDBMZVCRSA-N 1 0 382.302 2.592 20 0 GFADRO [NH3+]C1(CNC(=O)N2CCC(c3ccc(Br)cc3)CC2)CCOCC1 ZINC000627149198 565723855 /nfs/dbraw/zinc/72/38/55/565723855.db2.gz BHXRGWLPVPGNLY-UHFFFAOYSA-N 1 0 396.329 2.846 20 0 GFADRO C[N@@H+]1CCCC[C@@H](CNC(=O)c2ccc(F)c(I)c2)C1 ZINC000600313822 565724101 /nfs/dbraw/zinc/72/41/01/565724101.db2.gz KHXCTFYGFGRZQZ-NSHDSACASA-N 1 0 390.240 2.892 20 0 GFADRO C[NH2+]CCOCCNC(=O)N1CCC[C@@H]1c1ccc(Br)c(C)c1 ZINC000627173206 565724852 /nfs/dbraw/zinc/72/48/52/565724852.db2.gz QLJBEDVQEABIOJ-MRXNPFEDSA-N 1 0 384.318 2.840 20 0 GFADRO C[NH2+]CCOCCNC(=O)NC(C)(C)Cc1ccc(Br)c(C)c1 ZINC000627172067 565724960 /nfs/dbraw/zinc/72/49/60/565724960.db2.gz QRDQNXGQVBTSTM-UHFFFAOYSA-N 1 0 386.334 2.614 20 0 GFADRO CCCN(C(=O)NC[C@@H]1COCC[NH2+]1)[C@H](C)c1ccccc1Br ZINC000627185040 565724992 /nfs/dbraw/zinc/72/49/92/565724992.db2.gz LMTGVKDTWIJWOG-ZIAGYGMSSA-N 1 0 384.318 2.920 20 0 GFADRO CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)NCCc1ccc(Cl)cc1Cl ZINC000670495749 565726150 /nfs/dbraw/zinc/72/61/50/565726150.db2.gz RVTQUWLHIMBZMM-UHFFFAOYSA-N 1 0 386.323 2.595 20 0 GFADRO CSc1ccc(NC(=O)C(=O)N[C@@H](C)CC[NH+](C)C)cc1Br ZINC000627281596 565731756 /nfs/dbraw/zinc/73/17/56/565731756.db2.gz HVLIZXFTKAEDIB-JTQLQIEISA-N 1 0 388.331 2.566 20 0 GFADRO C[C@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000627444737 565736430 /nfs/dbraw/zinc/73/64/30/565736430.db2.gz VANNIRPZWSXXER-ABAIWWIYSA-N 1 0 384.307 2.914 20 0 GFADRO CCCN(C(=O)c1cc(=O)c2cc(Br)ccc2[nH]1)[C@@H]1CC[N@H+](C)C1 ZINC000649000053 565744173 /nfs/dbraw/zinc/74/41/73/565744173.db2.gz NUHBMULNKKQFCI-CYBMUJFWSA-N 1 0 392.297 2.847 20 0 GFADRO CC[N@@H+]1CCCC[C@H]1CNS(=O)(=O)c1ccc(Br)c(C)c1 ZINC000600779150 565749152 /nfs/dbraw/zinc/74/91/52/565749152.db2.gz VZPPGYVAYCRZLW-ZDUSSCGKSA-N 1 0 375.332 2.910 20 0 GFADRO O=C(CN1CCC[C@@H]([NH+]2CCOCC2)CC1)Nc1ccccc1Br ZINC000670986285 565750060 /nfs/dbraw/zinc/75/00/60/565750060.db2.gz RWUFZTYLWVFBAV-OAHLLOKOSA-N 1 0 396.329 2.574 20 0 GFADRO COC(=O)C[C@@H](NC(=O)C[N@H+](C)C1CCC1)c1cccc(Br)c1 ZINC000600816811 565751251 /nfs/dbraw/zinc/75/12/51/565751251.db2.gz KZSUQSKSUPKOQJ-OAHLLOKOSA-N 1 0 383.286 2.654 20 0 GFADRO Brc1ccccc1N1CC[C@@H]([NH2+]C[C@@H]2CNc3ccnn3C2)C1 ZINC000600815372 565752144 /nfs/dbraw/zinc/75/21/44/565752144.db2.gz XJNOZQHYAFIYNF-ZIAGYGMSSA-N 1 0 376.302 2.556 20 0 GFADRO COCC1(CNC(=O)Cc2sc(C)nc2-c2cccs2)CC[NH2+]CC1 ZINC000649361155 565759337 /nfs/dbraw/zinc/75/93/37/565759337.db2.gz AZNNNRDYFHTQSZ-UHFFFAOYSA-N 1 0 379.551 2.855 20 0 GFADRO O=C(CC[NH+]1CCN(c2cccc(Br)c2)CC1)Nc1cccnc1 ZINC000671253192 565759557 /nfs/dbraw/zinc/75/95/57/565759557.db2.gz PQNBJXWKDUOMBA-UHFFFAOYSA-N 1 0 389.297 2.995 20 0 GFADRO CC[C@H]1CN(Cc2csc(-c3ccc(S(C)(=O)=O)cc3)n2)CC[C@@H]1[NH3+] ZINC000649416736 565760469 /nfs/dbraw/zinc/76/04/69/565760469.db2.gz KCWOYPARGDOPFW-GUYCJALGSA-N 1 0 379.551 2.773 20 0 GFADRO C[N@@H+]1CCCC[C@H]1C(=O)N1CCN(C(=O)c2c(Cl)cccc2Cl)CC1 ZINC000600964397 565761487 /nfs/dbraw/zinc/76/14/87/565761487.db2.gz HONYFDMWUPSHQK-HNNXBMFYSA-N 1 0 384.307 2.762 20 0 GFADRO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)c1ccc(Br)c(F)c1F ZINC000628050469 565771342 /nfs/dbraw/zinc/77/13/42/565771342.db2.gz FAPORXCPWPSFMT-NSHDSACASA-N 1 0 392.288 2.729 20 0 GFADRO O=C(CCc1cc(Br)ccc1F)N1CCC([NH+]2CCOCC2)CC1 ZINC000628124319 565774359 /nfs/dbraw/zinc/77/43/59/565774359.db2.gz BLKGQHBENFACCN-UHFFFAOYSA-N 1 0 399.304 2.844 20 0 GFADRO CCN(C)C(=O)[C@@H]([NH2+]C[C@H](O)COc1ccc(Cl)c(Cl)c1)C(C)C ZINC000649848001 565781352 /nfs/dbraw/zinc/78/13/52/565781352.db2.gz NWBIUZLQZXNYQY-LRDDRELGSA-N 1 0 377.312 2.826 20 0 GFADRO COc1ccc(Cl)c2c1CCC[C@H]2[N@H+](C)C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000649856765 565782998 /nfs/dbraw/zinc/78/29/98/565782998.db2.gz NXICDUHXYIZPDP-CZUORRHYSA-N 1 0 386.945 2.939 20 0 GFADRO CCCN(C)[C@@H](C[NH2+]C1CCN(S(C)(=O)=O)CC1)c1ccc(Cl)cc1 ZINC000671764473 565785484 /nfs/dbraw/zinc/78/54/84/565785484.db2.gz MYPCUAQWPBVPGV-SFHVURJKSA-N 1 0 387.977 2.737 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C[N@@H+](C)[C@@H]1CCC(=O)N(C)C1 ZINC000628368713 565786350 /nfs/dbraw/zinc/78/63/50/565786350.db2.gz UOHRYTIYIXYXJP-QGZVFWFLSA-N 1 0 391.313 2.996 20 0 GFADRO O=C(c1ccc(I)c(F)c1)N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000601555274 565791076 /nfs/dbraw/zinc/79/10/76/565791076.db2.gz CUEOPKMRBSWWEI-BXUZGUMPSA-N 1 0 388.224 2.644 20 0 GFADRO O=C(Nc1ccc(Cl)cc1I)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000601559302 565792498 /nfs/dbraw/zinc/79/24/98/565792498.db2.gz IPGIHKUCOCGMDW-AOOOYVTPSA-N 1 0 391.640 2.913 20 0 GFADRO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)Nc1cc(F)c(I)c(F)c1 ZINC000601558978 565792520 /nfs/dbraw/zinc/79/25/20/565792520.db2.gz LPYUMUVQJLZPEJ-RNFRBKRXSA-N 1 0 381.164 2.523 20 0 GFADRO C[C@@H](O)C[N@@H+]1CCN(c2ccc(-c3ccc(Br)s3)nn2)[C@H](C)C1 ZINC000672254025 565800674 /nfs/dbraw/zinc/80/06/74/565800674.db2.gz SVYOKHJEHIZNFF-VXGBXAGGSA-N 1 0 397.342 2.859 20 0 GFADRO C[C@@H]1[C@@H](C)[N@@H+](C)C[C@H](C)N1C(=O)c1c2ccc(Br)cc2nn1C ZINC000650155860 565801015 /nfs/dbraw/zinc/80/10/15/565801015.db2.gz HHGDEFFAPADMSN-QJPTWQEYSA-N 1 0 379.302 2.889 20 0 GFADRO CN(Cc1c(Cl)cccc1Cl)C(=O)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000672306847 565801913 /nfs/dbraw/zinc/80/19/13/565801913.db2.gz BLDGESZWTLKKAK-CYBMUJFWSA-N 1 0 384.307 2.552 20 0 GFADRO C[N@@H+]1CCCC[C@@H](CNC(=O)c2cnc3ncc(Br)cc3c2)C1 ZINC000628746529 565805724 /nfs/dbraw/zinc/80/57/24/565805724.db2.gz CTZUVHZMLIFQCG-LBPRGKRZSA-N 1 0 377.286 2.854 20 0 GFADRO C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)NC[C@@H]1CCCC[N@H+](C)C1 ZINC000628746118 565806738 /nfs/dbraw/zinc/80/67/38/565806738.db2.gz WVUZHEUPPFGQHG-STQMWFEESA-N 1 0 386.323 2.960 20 0 GFADRO O=S(=O)(Cc1cccc(Br)c1)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000672409678 565807562 /nfs/dbraw/zinc/80/75/62/565807562.db2.gz SPRGEXOSCXVYNI-INIZCTEOSA-N 1 0 387.343 2.885 20 0 GFADRO COc1ncc(Br)cc1CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000628795507 565808531 /nfs/dbraw/zinc/80/85/31/565808531.db2.gz FVSQKUCTIDPSCP-HNNXBMFYSA-N 1 0 382.302 2.876 20 0 GFADRO Brc1c[nH+]c(NCc2cc3cnccc3o2)cc1N1CCOCC1 ZINC000650239992 565809508 /nfs/dbraw/zinc/80/95/08/565809508.db2.gz LFVXWXISPMARED-UHFFFAOYSA-N 1 0 389.253 3.434 20 0 GFADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N(C)Cc1c(Cl)cccc1Cl ZINC000672695136 565815333 /nfs/dbraw/zinc/81/53/33/565815333.db2.gz JPSCQHGFZNPMMN-ZDUSSCGKSA-N 1 0 386.323 2.942 20 0 GFADRO O=C1CC[C@@H]([NH2+]Cc2ccc(I)cc2Cl)CCN1 ZINC000602015371 565816362 /nfs/dbraw/zinc/81/63/62/565816362.db2.gz BWIYRYLADVMCDQ-LLVKDONJSA-N 1 0 378.641 2.703 20 0 GFADRO CCCC[C@@H](NC(N)=O)C(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000628968596 565817436 /nfs/dbraw/zinc/81/74/36/565817436.db2.gz KOPFPIFZEWJUDP-CABCVRRESA-N 1 0 389.327 2.939 20 0 GFADRO C[N@@H+]1CCC[C@@H](CNC(=O)c2ccc3[nH]cc(I)c3c2)C1 ZINC000602096986 565823478 /nfs/dbraw/zinc/82/34/78/565823478.db2.gz PBUXGGZELFUYIE-NSHDSACASA-N 1 0 397.260 2.844 20 0 GFADRO CC(C)[N@@H+]1CCC[C@@H](NC(=O)c2cnc3ncc(Br)cc3c2)C1 ZINC000672965023 565824005 /nfs/dbraw/zinc/82/40/05/565824005.db2.gz RAAVSTNHXRXIEH-OAHLLOKOSA-N 1 0 377.286 2.995 20 0 GFADRO CN(C)c1cc[nH+]c(NC(=O)C(C)(C)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000673066633 565826395 /nfs/dbraw/zinc/82/63/95/565826395.db2.gz YOXJIQASZQVRAU-UHFFFAOYSA-N 1 0 381.885 2.992 20 0 GFADRO CN(CC[C@@H]1CCCC[N@@H+]1C)c1ccc(S(N)(=O)=O)c(C(F)(F)F)c1 ZINC000673697554 565844856 /nfs/dbraw/zinc/84/48/56/565844856.db2.gz RHXRQIKHUDFYDD-LBPRGKRZSA-N 1 0 379.448 2.663 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)N1CCO[C@@H](C(F)(F)F)C1)c1ccc(Cl)cc1 ZINC000673780735 565846328 /nfs/dbraw/zinc/84/63/28/565846328.db2.gz ANBUJKGXVWKEGI-UONOGXRCSA-N 1 0 379.810 2.915 20 0 GFADRO CCc1ccc(-c2csc(NC(=O)C3([S@](C)=O)CC[NH2+]CC3)n2)s1 ZINC000602437251 565847884 /nfs/dbraw/zinc/84/78/84/565847884.db2.gz GHEGPHJDKKFROC-DEOSSOPVSA-N 1 0 383.564 2.873 20 0 GFADRO C[S@@](=O)C1(C(=O)NCC2(Sc3ccccc3)CCCC2)CC[NH2+]CC1 ZINC000602453103 565848470 /nfs/dbraw/zinc/84/84/70/565848470.db2.gz MDPLTXAFZAPADK-RUZDIDTESA-N 1 0 380.579 2.708 20 0 GFADRO CCC1([NH+]2CCOCC2)CCN(C(=O)c2ccc(Br)cn2)CC1 ZINC000629417582 565851046 /nfs/dbraw/zinc/85/10/46/565851046.db2.gz GVCPIBGUBIWCKD-UHFFFAOYSA-N 1 0 382.302 2.561 20 0 GFADRO CN1C(=O)C[C@@H](C(=O)NC[C@@H]2CCC[N@@H+]2C)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000629453956 565853053 /nfs/dbraw/zinc/85/30/53/565853053.db2.gz ZCAHZAHSIGUKOP-OGHNNQOOSA-N 1 0 384.307 2.723 20 0 GFADRO CN1C(=O)C[C@H](C(=O)NC[C@@H]2CCC[N@@H+]2C)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000629453955 565853426 /nfs/dbraw/zinc/85/34/26/565853426.db2.gz ZCAHZAHSIGUKOP-GDZNZVCISA-N 1 0 384.307 2.723 20 0 GFADRO CN(C)C1(C[NH2+]Cc2ccc(I)s2)CCOCC1 ZINC000602545523 565853700 /nfs/dbraw/zinc/85/37/00/565853700.db2.gz DYCJJHQAEVEMMI-UHFFFAOYSA-N 1 0 380.295 2.553 20 0 GFADRO OCC[C@H]([NH2+]Cc1ccc(I)s1)C1CCOCC1 ZINC000602616065 565858568 /nfs/dbraw/zinc/85/85/68/565858568.db2.gz HCMHFHJXXYEJCR-LBPRGKRZSA-N 1 0 381.279 2.620 20 0 GFADRO CO[C@H](C[NH2+]Cc1ccc(I)c(C)c1)[C@@H]1CCOC1 ZINC000602646222 565859129 /nfs/dbraw/zinc/85/91/29/565859129.db2.gz AXTGREOWBBQUKH-UKRRQHHQSA-N 1 0 375.250 2.741 20 0 GFADRO CC(C)(C[NH2+]Cc1ccc(I)s1)[C@]1(O)CCOC1 ZINC000602697409 565864337 /nfs/dbraw/zinc/86/43/37/565864337.db2.gz PSXRZQZWWMZXDM-ZDUSSCGKSA-N 1 0 381.279 2.620 20 0 GFADRO CC[C@@H](C[NH+]1CCCC1)NS(=O)(=O)c1cc(Br)ccc1C ZINC000674345610 565869887 /nfs/dbraw/zinc/86/98/87/565869887.db2.gz XKNBBBBBWKSUJT-AWEZNQCLSA-N 1 0 375.332 2.910 20 0 GFADRO Cc1cc(Br)sc1S(=O)(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000651576312 565874889 /nfs/dbraw/zinc/87/48/89/565874889.db2.gz ARSPVSASWKTLGV-WDEREUQCSA-N 1 0 381.361 2.922 20 0 GFADRO O[C@@H](C[NH+]1CCC(c2ccccc2Br)CC1)CC1(O)CCOCC1 ZINC000630038394 565880917 /nfs/dbraw/zinc/88/09/17/565880917.db2.gz BHGJBLADNVNDGN-MRXNPFEDSA-N 1 0 398.341 2.921 20 0 GFADRO COc1ccc(Br)c(S(=O)(=O)N(C)CC[NH+]2CCCCC2)c1 ZINC000651926304 565905058 /nfs/dbraw/zinc/90/50/58/565905058.db2.gz OSXOKOVHKDWHDA-UHFFFAOYSA-N 1 0 391.331 2.564 20 0 GFADRO CCOc1c(Br)cc(C[NH2+]C2(CCO)CCOCC2)cc1OC ZINC000675553309 565909226 /nfs/dbraw/zinc/90/92/26/565909226.db2.gz CMRGZCIYODTTHZ-UHFFFAOYSA-N 1 0 388.302 2.878 20 0 GFADRO Cn1nc(C[NH2+]CCNC(=O)c2cccc(Br)c2)c2ccccc21 ZINC000603518323 565910410 /nfs/dbraw/zinc/91/04/10/565910410.db2.gz SHZLMKIEPIKZAB-UHFFFAOYSA-N 1 0 387.281 2.855 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CC[NH2+]C[C@@H]1CNc2ccnn2C1 ZINC000603516522 565910680 /nfs/dbraw/zinc/91/06/80/565910680.db2.gz AWRVAOYEESHQBL-CYBMUJFWSA-N 1 0 392.301 2.614 20 0 GFADRO CN(CCC[NH2+][C@@H]1CCCOc2c(Br)cccc21)S(C)(=O)=O ZINC000675747279 565913464 /nfs/dbraw/zinc/91/34/64/565913464.db2.gz XMLCQXYJUYLWOL-CQSZACIVSA-N 1 0 391.331 2.534 20 0 GFADRO COCCC[C@@H]([NH2+]C[C@H]1CCS(=O)(=O)C1)c1ccc(Br)cc1 ZINC000675735611 565914087 /nfs/dbraw/zinc/91/40/87/565914087.db2.gz CGVNSYLJVZDLDA-CZUORRHYSA-N 1 0 390.343 2.941 20 0 GFADRO C[N@@H+]1CCCN(CCCNC(=O)Cc2csc(-c3cccs3)n2)CC1 ZINC000603811209 565915400 /nfs/dbraw/zinc/91/54/00/565915400.db2.gz OAYXVARIJRAGBB-UHFFFAOYSA-N 1 0 378.567 2.558 20 0 GFADRO COCC[N@@H+]1CCC[C@@H](NC(=O)Cc2c[nH]c3cc(Br)ccc23)C1 ZINC000675785305 565916434 /nfs/dbraw/zinc/91/64/34/565916434.db2.gz DFWLAXZEMHYWRE-OAHLLOKOSA-N 1 0 394.313 2.700 20 0 GFADRO C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CCOC[C@H]1CCOC1 ZINC000675836714 565916706 /nfs/dbraw/zinc/91/67/06/565916706.db2.gz JEVJBUMBNMTNQV-KBPBESRZSA-N 1 0 385.302 2.809 20 0 GFADRO CCO[C@@H]1CN(C(=O)NCC(C)(C)c2ccc(Br)cc2)C[C@H]1C[NH3+] ZINC000652132816 565916769 /nfs/dbraw/zinc/91/67/69/565916769.db2.gz XCISTSOKWCKQOM-CZUORRHYSA-N 1 0 398.345 2.732 20 0 GFADRO C[N@@H+]1CCCN(CCCNC(=O)C2(c3cccc(Br)c3)CC2)CC1 ZINC000603900850 565918239 /nfs/dbraw/zinc/91/82/39/565918239.db2.gz YKOBDNPUROZKBQ-UHFFFAOYSA-N 1 0 394.357 2.625 20 0 GFADRO C[C@H]([NH2+][C@H]1CCN(CCN2CCOCC2)C1)c1sccc1Br ZINC000675886604 565920112 /nfs/dbraw/zinc/92/01/12/565920112.db2.gz SQIUGHWRDYLMMS-KBPBESRZSA-N 1 0 388.375 2.568 20 0 GFADRO C[N@@H+]1CCCC[C@H]1C(=O)N1CCN(Cc2ccc(Br)cc2)CC1 ZINC000675925348 565921206 /nfs/dbraw/zinc/92/12/06/565921206.db2.gz OGQIFCOWZRSYOM-KRWDZBQOSA-N 1 0 380.330 2.578 20 0 GFADRO Cc1cc(S(=O)(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)c(C)cc1Br ZINC000652376435 565925474 /nfs/dbraw/zinc/92/54/74/565925474.db2.gz MPXASDBETKWGFM-BBRMVZONSA-N 1 0 387.343 2.815 20 0 GFADRO [NH3+]C[C@]12CCC[C@H]1CN(S(=O)(=O)c1cc(Cl)ccc1OC(F)F)C2 ZINC000652375951 565925971 /nfs/dbraw/zinc/92/59/71/565925971.db2.gz KZAVTOFZCZSRKB-BONVTDFDSA-N 1 0 380.844 2.691 20 0 GFADRO Cc1cc(F)c(Br)cc1S(=O)(=O)N1CCC(CC[NH3+])CC1 ZINC000652382975 565927497 /nfs/dbraw/zinc/92/74/97/565927497.db2.gz SKMAEHIOZAYOGV-UHFFFAOYSA-N 1 0 379.295 2.646 20 0 GFADRO Cc1cc(S(=O)(=O)N2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)c(Cl)cc1F ZINC000652384409 565927830 /nfs/dbraw/zinc/92/78/30/565927830.db2.gz ZFHUDEYFPQTQRQ-APHBMKBZSA-N 1 0 390.908 2.837 20 0 GFADRO C[N@@H+]1CCC[C@@H](N2CCN(Cc3cn4cc(Cl)cc(Cl)c4n3)CC2)C1 ZINC000604390335 565927901 /nfs/dbraw/zinc/92/79/01/565927901.db2.gz VYRKNUMQWKZWDO-MRXNPFEDSA-N 1 0 382.339 2.853 20 0 GFADRO CC[NH+]1CCN(CC(=O)NC2(c3ccccc3Br)CCC2)CC1 ZINC000652515564 565932062 /nfs/dbraw/zinc/93/20/62/565932062.db2.gz GMOLHEPMYMTYHB-UHFFFAOYSA-N 1 0 380.330 2.582 20 0 GFADRO COc1cc(Cl)c(C[NH2+]C[C@@]2(N3CCOCC3)CCSC2)cc1OC ZINC000631048951 565934367 /nfs/dbraw/zinc/93/43/67/565934367.db2.gz BPCRLCZTCBULNT-SFHVURJKSA-N 1 0 386.945 2.655 20 0 GFADRO Cc1nc(NC(=O)N2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)ccc1Br ZINC000652594924 565935186 /nfs/dbraw/zinc/93/51/86/565935186.db2.gz KPMFYKYYFDZWTC-GUTXKFCHSA-N 1 0 397.317 2.903 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)cc1Br ZINC000652630407 565935922 /nfs/dbraw/zinc/93/59/22/565935922.db2.gz HGIOAHLWHGKNCX-UGSOOPFHSA-N 1 0 394.313 2.592 20 0 GFADRO CCOc1ccc(Br)cc1S(=O)(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000604766692 565936628 /nfs/dbraw/zinc/93/66/28/565936628.db2.gz ZFYFULCACITFOL-ZDUSSCGKSA-N 1 0 391.331 2.563 20 0 GFADRO Cc1ccc([C@@H](C[NH2+]Cc2ccc(Cl)c(S(N)(=O)=O)c2)N(C)C)cc1 ZINC000631055166 565936682 /nfs/dbraw/zinc/93/66/82/565936682.db2.gz JGJIIWVVDMCYBY-QGZVFWFLSA-N 1 0 381.929 2.688 20 0 GFADRO Cn1cc(N2CCC[C@H]([NH2+]Cc3ncc(Br)cc3Cl)C2)cn1 ZINC000631080041 565938263 /nfs/dbraw/zinc/93/82/63/565938263.db2.gz VNAQIIOHCVPYBH-LBPRGKRZSA-N 1 0 384.709 2.990 20 0 GFADRO O=S(=O)(NCC[NH2+]Cc1ccc(C(F)F)nc1)c1ccc(Cl)s1 ZINC000631098514 565942004 /nfs/dbraw/zinc/94/20/04/565942004.db2.gz BJQGVEVGKCNUOT-UHFFFAOYSA-N 1 0 381.857 2.802 20 0 GFADRO C[C@@H]([NH2+]Cc1ccc(Cl)c(S(N)(=O)=O)c1)[C@H](c1ccccc1)N(C)C ZINC000631114185 565942947 /nfs/dbraw/zinc/94/29/47/565942947.db2.gz SFEZHBYWSULGDY-FZKQIMNGSA-N 1 0 381.929 2.768 20 0 GFADRO COCCO[C@H]1COCC[C@H]1[NH2+]Cc1cc(OC)c(Br)cc1F ZINC000631115588 565943027 /nfs/dbraw/zinc/94/30/27/565943027.db2.gz WHRGCNYRTIXILZ-ZBFHGGJFSA-N 1 0 392.265 2.507 20 0 GFADRO COc1cc2c(cc1F)CC[C@@H]2[NH2+]Cc1ccc(Cl)c(S(N)(=O)=O)c1 ZINC000631128824 565943203 /nfs/dbraw/zinc/94/32/03/565943203.db2.gz DNTSCUUGNWETPB-HNNXBMFYSA-N 1 0 384.860 2.912 20 0 GFADRO CC(C)n1ncnc1C[NH2+]C[C@@H](CO)Cc1ccc(F)c(Br)c1 ZINC000631154061 565945337 /nfs/dbraw/zinc/94/53/37/565945337.db2.gz PEDUFYFRZSJHHT-ZDUSSCGKSA-N 1 0 385.281 2.701 20 0 GFADRO COc1cc(F)cc(C[C@@H](C)[NH2+]Cc2ccc(Cl)c(S(N)(=O)=O)c2)c1 ZINC000631156272 565945657 /nfs/dbraw/zinc/94/56/57/565945657.db2.gz ZFDBHUSRCXCKFO-LLVKDONJSA-N 1 0 386.876 2.856 20 0 GFADRO C[C@H](NC(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O)c1cccc(Cl)c1Cl ZINC000605174975 565947566 /nfs/dbraw/zinc/94/75/66/565947566.db2.gz WZXJJDPFNNEAFK-SMDDNHRTSA-N 1 0 387.311 2.693 20 0 GFADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)c1cccc2c(Br)cccc12 ZINC000631229312 565949590 /nfs/dbraw/zinc/94/95/90/565949590.db2.gz JRDJZAVHJRDQIL-ZDUSSCGKSA-N 1 0 376.298 2.578 20 0 GFADRO C[C@@H]1SCC[N@H+](CC(=O)N2CCN(Cc3cccc(Cl)c3)CC2)[C@H]1C ZINC000605335716 565950018 /nfs/dbraw/zinc/95/00/18/565950018.db2.gz QQEDUQKCFZPUPE-HOTGVXAUSA-N 1 0 381.973 2.810 20 0 GFADRO CCOc1ccc(Br)cc1NC(=O)N[C@@H]1CC[N@H+](CCOC)C1 ZINC000605415415 565951077 /nfs/dbraw/zinc/95/10/77/565951077.db2.gz LSZLUYUXKTYPHP-CYBMUJFWSA-N 1 0 386.290 2.690 20 0 GFADRO Cc1c(Br)c[nH]c(=O)c1C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000631273744 565952379 /nfs/dbraw/zinc/95/23/79/565952379.db2.gz ZSQIVFQAMXQCIS-UHFFFAOYSA-N 1 0 382.302 2.806 20 0 GFADRO C[C@H](CNC(=O)c1oc2ccccc2c1Br)N1CC[NH+](C)CC1 ZINC000631288787 565952644 /nfs/dbraw/zinc/95/26/44/565952644.db2.gz JWGUZNCGFGUELY-GFCCVEGCSA-N 1 0 380.286 2.561 20 0 GFADRO C[C@H](NC(=O)[C@@H]1CCC[NH2+]CC1)c1cc2c(cc1Br)OCCO2 ZINC000653074586 565953175 /nfs/dbraw/zinc/95/31/75/565953175.db2.gz NYEZGHVKVDNARJ-NWDGAFQWSA-N 1 0 383.286 2.787 20 0 GFADRO C[NH+](C)C[C@]1(O)CCCN(c2nc(C(F)(F)F)c(Br)s2)C1 ZINC000631344456 565954533 /nfs/dbraw/zinc/95/45/33/565954533.db2.gz QMRAUDMZISBUOI-LLVKDONJSA-N 1 0 388.253 2.817 20 0 GFADRO C[NH+](C)CC[C@H](N)C(=O)N1CCC(COc2cc(Cl)cc(Cl)c2)CC1 ZINC000653095192 565955332 /nfs/dbraw/zinc/95/53/32/565955332.db2.gz CVPRGSDUJGPKDR-KRWDZBQOSA-N 1 0 388.339 2.890 20 0 GFADRO O=C(NCC[NH+]1CCC1)[C@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000676949295 565956270 /nfs/dbraw/zinc/95/62/70/565956270.db2.gz YAICHEWUBVILKB-AWEZNQCLSA-N 1 0 384.307 2.668 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(C(=O)c3c(F)cccc3Br)C2)C1 ZINC000653189479 565958300 /nfs/dbraw/zinc/95/83/00/565958300.db2.gz YFAVLUNUUOGRJQ-JMSVASOKSA-N 1 0 385.277 2.947 20 0 GFADRO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCN(C(=O)Cc3ccc(Br)cc3)C2)C1 ZINC000653190744 565958478 /nfs/dbraw/zinc/95/84/78/565958478.db2.gz NWDYCJHBKFUZDI-DJIMGWMZSA-N 1 0 381.314 2.737 20 0 GFADRO O=C(CNC(=O)C[N@@H+]1CCC[C@H](C2CC2)C1)Nc1ccccc1Br ZINC000677029601 565958537 /nfs/dbraw/zinc/95/85/37/565958537.db2.gz PWFFXHVISORHPV-AWEZNQCLSA-N 1 0 394.313 2.626 20 0 GFADRO [NH3+]CC1(CCNC(=O)CCc2nc(-c3cc(Br)cs3)no2)CC1 ZINC000653218607 565959817 /nfs/dbraw/zinc/95/98/17/565959817.db2.gz BSBXDZGPGWXLSD-UHFFFAOYSA-N 1 0 399.314 2.738 20 0 GFADRO C[NH+]1CCC(n2cc(Nc3nc(C4CC4)ncc3Br)cn2)CC1 ZINC000631476524 565960298 /nfs/dbraw/zinc/96/02/98/565960298.db2.gz SQDMPXBKWNDMNJ-UHFFFAOYSA-N 1 0 377.290 2.745 20 0 GFADRO [NH3+]CCC1CCN(C(=O)c2cc(=O)[nH]c3ccc(Br)cc32)CC1 ZINC000653257102 565960541 /nfs/dbraw/zinc/96/05/41/565960541.db2.gz WTIUGTGPBSQIDN-UHFFFAOYSA-N 1 0 378.270 2.904 20 0 GFADRO CC[N@@H+]1CCN(C(=O)C[C@H](NC(C)=O)c2ccc(Br)cc2)C[C@@H]1C ZINC000677176255 565963051 /nfs/dbraw/zinc/96/30/51/565963051.db2.gz FDYJFTUDVSIUGR-GUYCJALGSA-N 1 0 396.329 2.569 20 0 GFADRO CC[N@@H+]1CCN(C(=O)CNC(=O)c2sc3ccccc3c2Cl)C[C@@H]1C ZINC000677216152 565963985 /nfs/dbraw/zinc/96/39/85/565963985.db2.gz BPDVVJBOITWWDH-LBPRGKRZSA-N 1 0 379.913 2.837 20 0 GFADRO CC[N@@H+]1CCN(CC(=O)Nc2c(F)cc(F)cc2Br)C[C@@H]1C ZINC000677192277 565964326 /nfs/dbraw/zinc/96/43/26/565964326.db2.gz SIWATFXVMPEGGW-JTQLQIEISA-N 1 0 376.245 2.692 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(C(=O)c3ccc(Br)c(O)c3)C2)C1 ZINC000653348511 565964980 /nfs/dbraw/zinc/96/49/80/565964980.db2.gz JHGGURFMKWRDMP-ZENOOKHLSA-N 1 0 383.286 2.513 20 0 GFADRO CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+][C@@H](C)[C@H](O)C(F)(F)F)cc1 ZINC000631717404 565970107 /nfs/dbraw/zinc/97/01/07/565970107.db2.gz JNMGUIXDPLSEEO-HUBLWGQQSA-N 1 0 382.448 2.679 20 0 GFADRO O=S(=O)(CCC[NH+]1CCCC1)N1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000631785861 565974727 /nfs/dbraw/zinc/97/47/27/565974727.db2.gz STDQNDQWXUENNB-TXEJJXNPSA-N 1 0 396.397 2.865 20 0 GFADRO COCCN(C)C[C@@H](O)C[NH2+][C@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000653622875 565975175 /nfs/dbraw/zinc/97/51/75/565975175.db2.gz ZFQIHHCQDJJFIY-IRXDYDNUSA-N 1 0 389.309 2.568 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(Cl)c(NS(C)(=O)=O)c2)C[C@@H]1C ZINC000607119307 565978545 /nfs/dbraw/zinc/97/85/45/565978545.db2.gz ABDJZRURNKRJIS-GXTWGEPZSA-N 1 0 387.933 2.656 20 0 GFADRO Clc1cc2c(c(Cl)c1)[C@@H]([NH2+][C@@H]1CCN(CCN3CCOCC3)C1)CC2 ZINC000677654643 565980220 /nfs/dbraw/zinc/98/02/20/565980220.db2.gz XVZNYYJTHFVDGA-AEFFLSMTSA-N 1 0 384.351 2.977 20 0 GFADRO CC(C)[N@@H+]1CC[C@H](CNC(=O)Nc2ccc(NS(C)(=O)=O)c(Cl)c2)C1 ZINC000607215776 565981566 /nfs/dbraw/zinc/98/15/66/565981566.db2.gz VIXDBHPDRSNAHM-GFCCVEGCSA-N 1 0 388.921 2.563 20 0 GFADRO C[NH2+]C[C@H]1CCN(S(=O)(=O)c2cc(Br)c(Cl)cc2C)C1 ZINC000631904465 565982290 /nfs/dbraw/zinc/98/22/90/565982290.db2.gz OLOQRLKUOKPOPH-SNVBAGLBSA-N 1 0 381.723 2.641 20 0 GFADRO Cc1ccc(Br)c(NC(=O)NCC(C)(C)N2CC[NH+](C)CC2)c1 ZINC000677779258 565982643 /nfs/dbraw/zinc/98/26/43/565982643.db2.gz FGFYFIXFAITAKB-UHFFFAOYSA-N 1 0 383.334 2.905 20 0 GFADRO C[C@H]1CC2(CN1S(=O)(=O)c1cscc1Br)CC[NH2+]CC2 ZINC000631946461 565985599 /nfs/dbraw/zinc/98/55/99/565985599.db2.gz AYGCVHRWWBSZJK-JTQLQIEISA-N 1 0 379.345 2.663 20 0 GFADRO COC[C@@H](NC(=O)C[N@H+](C)[C@H]1CCSC1)c1cccc(C(F)(F)F)c1 ZINC000677892326 565986521 /nfs/dbraw/zinc/98/65/21/565986521.db2.gz AVSROKWGAGUVRE-LSDHHAIUSA-N 1 0 376.444 2.946 20 0 GFADRO [NH3+][C@@H](CCNS(=O)(=O)C1CCC(C(F)(F)F)CC1)Cc1ccccc1 ZINC000631965323 565986811 /nfs/dbraw/zinc/98/68/11/565986811.db2.gz XWVWSXJRVCFNMN-PCKAHOCUSA-N 1 0 378.460 2.987 20 0 GFADRO O=S(=O)(c1cccc(Cl)c1Br)N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631992697 565989585 /nfs/dbraw/zinc/98/95/85/565989585.db2.gz FCQYHCBFZIHKMG-CMPLNLGQSA-N 1 0 393.734 2.865 20 0 GFADRO C[C@H](Cc1ccc(Br)cc1)C(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000677964812 565989988 /nfs/dbraw/zinc/98/99/88/565989988.db2.gz GNRWKKCSSLSFFV-OLMNPRSZSA-N 1 0 395.341 2.685 20 0 GFADRO C[N@@H+]1CCC[C@H]2CN(S(=O)(=O)c3cscc3Br)CC[C@H]21 ZINC000632112088 566000362 /nfs/dbraw/zinc/00/03/62/566000362.db2.gz MSCHAQZTWVUMRL-CMPLNLGQSA-N 1 0 379.345 2.615 20 0 GFADRO C[N@@H+]1CCC[C@@H](NC(=O)[C@H](c2ccc(Cl)cc2Cl)N2CCOCC2)C1 ZINC000608127270 566004377 /nfs/dbraw/zinc/00/43/77/566004377.db2.gz WYXLKXKNGJNPML-PBHICJAKSA-N 1 0 386.323 2.577 20 0 GFADRO C[C@@H](C(=O)NCCCN1CCC[N@H+](C)CC1)c1ccc(Br)s1 ZINC000608134735 566005061 /nfs/dbraw/zinc/00/50/61/566005061.db2.gz UUWMBYILGJCEDY-CYBMUJFWSA-N 1 0 388.375 2.758 20 0 GFADRO C[C@H](C[N@H+](C)CCN1CCCS1(=O)=O)c1cccc(Br)c1 ZINC000678297412 566005665 /nfs/dbraw/zinc/00/56/65/566005665.db2.gz IXOCXLUCVPVABL-CYBMUJFWSA-N 1 0 375.332 2.520 20 0 GFADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)NCCCc1c(Cl)cccc1Cl ZINC000654433219 566009701 /nfs/dbraw/zinc/00/97/01/566009701.db2.gz YUQSIFFMUIKNDB-CQSZACIVSA-N 1 0 387.355 2.861 20 0 GFADRO CO[C@@H](C(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1Br ZINC000654426617 566010069 /nfs/dbraw/zinc/01/00/69/566010069.db2.gz PSWNOAIWOWEITG-JKIFEVAISA-N 1 0 399.329 2.752 20 0 GFADRO C[C@H]1C[C@@H](NC(=O)N2CCOc3cccc(Br)c3C2)CC[N@@H+]1C ZINC000654462538 566011353 /nfs/dbraw/zinc/01/13/53/566011353.db2.gz ZXIHBEALMHRFIE-STQMWFEESA-N 1 0 382.302 2.836 20 0 GFADRO CC[NH+](CC)CC1CCN(S(=O)(=O)c2c(F)cc(OC)cc2F)CC1 ZINC000608362861 566012327 /nfs/dbraw/zinc/01/23/27/566012327.db2.gz MXFMCLICAXPJQC-UHFFFAOYSA-N 1 0 376.469 2.716 20 0 GFADRO C[C@@H](Cc1ccc(Br)c(F)c1)[NH2+][C@H]1CCN(C2CCOCC2)C1=O ZINC000678595313 566013081 /nfs/dbraw/zinc/01/30/81/566013081.db2.gz WLQACHSVNXMQDF-SJCJKPOMSA-N 1 0 399.304 2.889 20 0 GFADRO O=S1(=O)CCCN1CCC[NH2+][C@H](c1ccc(Br)cc1)C1CC1 ZINC000678689478 566016786 /nfs/dbraw/zinc/01/67/86/566016786.db2.gz ZVJFFCWMBJZVPA-INIZCTEOSA-N 1 0 387.343 2.915 20 0 GFADRO COc1ccc(Br)cc1CN(C)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000654656811 566018593 /nfs/dbraw/zinc/01/85/93/566018593.db2.gz IUNNIFRVYARMPH-JNSHFYNHSA-N 1 0 384.318 2.939 20 0 GFADRO CN(C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000654665551 566018805 /nfs/dbraw/zinc/01/88/05/566018805.db2.gz MOEVVBRODAUOOS-COMSMWFCSA-N 1 0 386.323 2.933 20 0 GFADRO CO[C@H](C(=O)N(CC[NH+](C)C)C[C@H]1CCCO1)c1ccccc1Br ZINC000654733559 566021038 /nfs/dbraw/zinc/02/10/38/566021038.db2.gz YVZAYYKYQKRVFT-PBHICJAKSA-N 1 0 399.329 2.706 20 0 GFADRO Cc1ccc(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1I ZINC000609070649 566030015 /nfs/dbraw/zinc/03/00/15/566030015.db2.gz HHTAHTRGFDSMKG-CABCVRRESA-N 1 0 384.261 2.956 20 0 GFADRO Cc1ccc(NC(=O)C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1Br ZINC000654945477 566031719 /nfs/dbraw/zinc/03/17/19/566031719.db2.gz BVURRRCEFOTLJO-HOTGVXAUSA-N 1 0 394.313 2.829 20 0 GFADRO Cc1c(Br)cccc1NC(=O)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000654945837 566031771 /nfs/dbraw/zinc/03/17/71/566031771.db2.gz FYBNOVPRTFJIDJ-JKSUJKDBSA-N 1 0 394.313 2.829 20 0 GFADRO Cc1ccc(NC(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)c(Br)c1 ZINC000654945741 566031784 /nfs/dbraw/zinc/03/17/84/566031784.db2.gz GCSHDTNKHFOMOK-HZPDHXFCSA-N 1 0 394.313 2.829 20 0 GFADRO CC[N@@H+]1CCCN(S(=O)(=O)c2cc(Cl)c(NC(C)=O)cc2F)[C@H](C)C1 ZINC000632449856 566033528 /nfs/dbraw/zinc/03/35/28/566033528.db2.gz NIKYRTHGSZAJJL-LLVKDONJSA-N 1 0 391.896 2.542 20 0 GFADRO O=S1(=O)CC[C@H](C[NH2+][C@H](c2ccc(Br)cc2)[C@H]2CCCO2)C1 ZINC000679330745 566038325 /nfs/dbraw/zinc/03/83/25/566038325.db2.gz QSIZKQSFTBJDBZ-DAXOMENPSA-N 1 0 388.327 2.694 20 0 GFADRO Cc1cc(C(C)(C)C(=O)NC[C@]2(O)C[NH+]3CCC2CC3)ccc1Br ZINC000655073945 566038821 /nfs/dbraw/zinc/03/88/21/566038821.db2.gz WQFXMJUKENLCDQ-IBGZPJMESA-N 1 0 395.341 2.608 20 0 GFADRO NC(=O)c1ccc(C[NH2+][C@@H](c2ccc(Br)cc2)[C@@H]2CCCO2)cn1 ZINC000679347736 566039154 /nfs/dbraw/zinc/03/91/54/566039154.db2.gz PZCUBUHAUZRFCO-IRXDYDNUSA-N 1 0 390.281 2.953 20 0 GFADRO C[NH+](C)CCn1ccc(C(=O)Nc2cnc(-c3ccc(Cl)s3)nc2)n1 ZINC000655159626 566042406 /nfs/dbraw/zinc/04/24/06/566042406.db2.gz PACWDGLJIGRHRH-UHFFFAOYSA-N 1 0 376.873 2.869 20 0 GFADRO Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000655299351 566050735 /nfs/dbraw/zinc/05/07/35/566050735.db2.gz NHUKGIRHQPWIMG-LSDHHAIUSA-N 1 0 377.897 2.663 20 0 GFADRO Cc1nc(-c2ccc(Cl)s2)sc1C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000655298278 566051048 /nfs/dbraw/zinc/05/10/48/566051048.db2.gz CJPBYJRIKHVZEV-WDEREUQCSA-N 1 0 383.926 2.724 20 0 GFADRO COc1cc(Br)ccc1C[NH2+][C@@H]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000679749834 566052168 /nfs/dbraw/zinc/05/21/68/566052168.db2.gz LBSJAQKATYNNGZ-ZIAGYGMSSA-N 1 0 376.316 2.903 20 0 GFADRO COc1ccccc1[C@H]([NH3+])CNC(=O)[C@@H](OC)c1ccccc1Br ZINC000655412401 566056570 /nfs/dbraw/zinc/05/65/70/566056570.db2.gz RMCSPYUIDLGXRB-WBVHZDCISA-N 1 0 393.281 2.961 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000655420689 566056634 /nfs/dbraw/zinc/05/66/34/566056634.db2.gz CQVOZQIRQFYNMM-KDOFPFPSSA-N 1 0 394.313 2.544 20 0 GFADRO O=C(CCc1c(Cl)cccc1Cl)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000655460379 566056942 /nfs/dbraw/zinc/05/69/42/566056942.db2.gz MMGOZJWMXRKAGS-CQSZACIVSA-N 1 0 398.256 2.878 20 0 GFADRO Cc1c(Br)cccc1CS(=O)(=O)N(C)C1CC[NH+](C)CC1 ZINC000655462501 566057367 /nfs/dbraw/zinc/05/73/67/566057367.db2.gz QMFPEUWYMGMCSW-UHFFFAOYSA-N 1 0 375.332 2.613 20 0 GFADRO O=C(N[C@@H]1CCN(c2ccc(Br)cc2)C1)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000655447130 566057479 /nfs/dbraw/zinc/05/74/79/566057479.db2.gz RGJBOJORVRSAHZ-KYJSFNMBSA-N 1 0 378.314 2.534 20 0 GFADRO CO[C@H]1CCC[N@H+](CC(=O)N(C)CCOc2ccc(Br)cc2)CC1 ZINC000679951508 566058951 /nfs/dbraw/zinc/05/89/51/566058951.db2.gz NOULUSVPJUGITK-INIZCTEOSA-N 1 0 399.329 2.787 20 0 GFADRO O=C(NCCCc1c(Cl)cccc1Cl)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000655493551 566059511 /nfs/dbraw/zinc/05/95/11/566059511.db2.gz NWYLKVSOIHIFBJ-GFCCVEGCSA-N 1 0 382.295 2.872 20 0 GFADRO Cc1c(Br)cccc1CS(=O)(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000655498101 566060158 /nfs/dbraw/zinc/06/01/58/566060158.db2.gz MBLJKASNPQASMD-NSHDSACASA-N 1 0 375.332 2.660 20 0 GFADRO Cc1c(Br)cccc1CS(=O)(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000655510641 566062756 /nfs/dbraw/zinc/06/27/56/566062756.db2.gz ZYVPDSKHZVKWSH-CQSZACIVSA-N 1 0 389.359 2.861 20 0 GFADRO CN(CCCC[NH+](C)C)C(=O)c1cc(F)ccc1I ZINC000610112127 566067185 /nfs/dbraw/zinc/06/71/85/566067185.db2.gz YDJVDXJDMAMFCQ-UHFFFAOYSA-N 1 0 378.229 2.844 20 0 GFADRO Cc1c(Br)cccc1CS(=O)(=O)N[C@H](C)C[N@@H+](C)C(C)C ZINC000655595091 566070632 /nfs/dbraw/zinc/07/06/32/566070632.db2.gz SCYXIEJTJUIHSR-GFCCVEGCSA-N 1 0 377.348 2.906 20 0 GFADRO Cc1c(Br)cccc1CS(=O)(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000655604985 566071728 /nfs/dbraw/zinc/07/17/28/566071728.db2.gz HMLZWNSUQYEFKV-CQSZACIVSA-N 1 0 389.359 2.909 20 0 GFADRO C[NH+](C)[C@H]1C[C@@H](CNS(=O)(=O)c2cc(Cl)ccc2OC(F)(F)F)C1 ZINC000655632614 566073756 /nfs/dbraw/zinc/07/37/56/566073756.db2.gz RCMRZQBWYROKCF-JGZJWPJOSA-N 1 0 386.823 2.857 20 0 GFADRO C[NH+](C)[C@H]1C[C@@H](CNS(=O)(=O)c2cc(Cl)ccc2Br)C1 ZINC000655632065 566074356 /nfs/dbraw/zinc/07/43/56/566074356.db2.gz FQUZJJMAHKPMHV-JGZJWPJOSA-N 1 0 381.723 2.721 20 0 GFADRO O=C(Nc1ccnn1Cc1cccc(Br)c1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000632935589 566075505 /nfs/dbraw/zinc/07/55/05/566075505.db2.gz FIFJEAQQWFOYRP-GASCZTMLSA-N 1 0 390.285 2.662 20 0 GFADRO CN(C[C@H](O)C[NH3+])C(=O)Nc1nc([C@H]2CCC[C@H](C(F)(F)F)C2)cs1 ZINC000632954698 566076595 /nfs/dbraw/zinc/07/65/95/566076595.db2.gz AZSLTCFODUVLEV-GARJFASQSA-N 1 0 380.436 2.763 20 0 GFADRO CC[NH+](CC)CCS(=O)(=O)NC1(c2cccc(OC(F)(F)F)c2)CC1 ZINC000655661003 566078219 /nfs/dbraw/zinc/07/82/19/566078219.db2.gz SDFLAAJURKWEAT-UHFFFAOYSA-N 1 0 380.432 2.836 20 0 GFADRO [NH3+]C[C@H]1CC[C@H](NC(=O)C(=O)Nc2ccc(Br)c(Cl)c2)CC1 ZINC000633037052 566080580 /nfs/dbraw/zinc/08/05/80/566080580.db2.gz SOYVOURTCLMKJT-MGCOHNPYSA-N 1 0 388.693 2.675 20 0 GFADRO Cc1ccc(Br)c(NC(=O)C(=O)N[C@H]2CC[NH2+]CC(C)(C)C2)c1 ZINC000633045651 566080620 /nfs/dbraw/zinc/08/06/20/566080620.db2.gz IUQRPEGDDNQCHG-LBPRGKRZSA-N 1 0 382.302 2.590 20 0 GFADRO COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000633046410 566080662 /nfs/dbraw/zinc/08/06/62/566080662.db2.gz RHCRDVCPAHGIDP-JTQLQIEISA-N 1 0 388.295 2.835 20 0 GFADRO Cc1nn(-c2cccc(Br)c2)cc1C[NH2+]C[C@]1(CCO)CCOC1 ZINC000655747662 566085983 /nfs/dbraw/zinc/08/59/83/566085983.db2.gz IYWURFFTIVFCLU-SFHVURJKSA-N 1 0 394.313 2.822 20 0 GFADRO NC(=O)c1ccccc1N1CC[C@H]([NH2+]Cc2sccc2Br)C1 ZINC000680884840 566086344 /nfs/dbraw/zinc/08/63/44/566086344.db2.gz ZDRZFIJXCDPUSG-NSHDSACASA-N 1 0 380.311 2.978 20 0 GFADRO CO[C@@]1(C[NH2+]Cc2cn(-c3ccccc3Br)nc2C)CCOC1 ZINC000655759521 566087679 /nfs/dbraw/zinc/08/76/79/566087679.db2.gz BSLSERCFAQFZJJ-QGZVFWFLSA-N 1 0 380.286 2.838 20 0 GFADRO Cc1nn(-c2ccccc2Br)cc1C[NH2+][C@@H]1C(=O)NCC[C@@H]1C ZINC000655769822 566088371 /nfs/dbraw/zinc/08/83/71/566088371.db2.gz PJMHKAXWWGMYEU-ZBEGNZNMSA-N 1 0 377.286 2.557 20 0 GFADRO OCCOC1(C[NH2+]Cc2oc3ccccc3c2Br)CCOCC1 ZINC000655769536 566088387 /nfs/dbraw/zinc/08/83/87/566088387.db2.gz JYKAVIIAJRQKQG-UHFFFAOYSA-N 1 0 384.270 2.843 20 0 GFADRO Cc1nn(-c2cccc(Br)c2)cc1C[NH2+][C@@H](C)C(=O)NC(C)C ZINC000655781768 566089994 /nfs/dbraw/zinc/08/99/94/566089994.db2.gz QVUUJEURBJJMRK-ZDUSSCGKSA-N 1 0 379.302 2.946 20 0 GFADRO C[NH+](C)C[C@@H]1CN(S(=O)(=O)c2c(F)cccc2Cl)c2ccccc2O1 ZINC000680976746 566090297 /nfs/dbraw/zinc/09/02/97/566090297.db2.gz NUBQKNCCWCFSNV-GFCCVEGCSA-N 1 0 384.860 2.997 20 0 GFADRO C[C@@H]1CN(C(=O)c2cc(Br)c3nccn3c2)CC[N@@H+](C2CC2)C1 ZINC000633258991 566091673 /nfs/dbraw/zinc/09/16/73/566091673.db2.gz OBHZSKARFLTHAN-LBPRGKRZSA-N 1 0 377.286 2.653 20 0 GFADRO C[C@H]([NH2+]C[C@H]1CCC[C@]12NC(=O)N(C)C2=O)c1nc(C(F)(F)F)cs1 ZINC000681054159 566092354 /nfs/dbraw/zinc/09/23/54/566092354.db2.gz LHSHMFVTOOHXAO-QIBSRJKCSA-N 1 0 376.404 2.533 20 0 GFADRO Cc1cccc(NC(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)c1Br ZINC000681100474 566094162 /nfs/dbraw/zinc/09/41/62/566094162.db2.gz JZPUUWAKFWNLDZ-GJZGRUSLSA-N 1 0 382.302 2.820 20 0 GFADRO COc1ccc([C@H](C)NC(=O)N[C@@H](C[NH3+])C(F)(F)F)cc1Br ZINC000655913836 566095391 /nfs/dbraw/zinc/09/53/91/566095391.db2.gz VOZMEMGOVFEXQH-CPCISQLKSA-N 1 0 384.196 2.708 20 0 GFADRO C[C@H]1CN(c2ccc(Cl)c(F)c2)CCN1C(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000655926171 566096239 /nfs/dbraw/zinc/09/62/39/566096239.db2.gz HMTWNHMKQCYSFE-ZANVPECISA-N 1 0 382.789 2.589 20 0 GFADRO [NH3+]C[C@@H](NC(=O)N1CCC(c2nc(C(F)(F)F)cs2)CC1)C(F)(F)F ZINC000655925538 566096922 /nfs/dbraw/zinc/09/69/22/566096922.db2.gz CVDMHWKMYLJCFB-MRVPVSSYSA-N 1 0 390.353 2.941 20 0 GFADRO C[C@@H]1CN(c2ccc(Cl)c(F)c2)CCN1C(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000655926159 566097101 /nfs/dbraw/zinc/09/71/01/566097101.db2.gz HMTWNHMKQCYSFE-NOZJJQNGSA-N 1 0 382.789 2.589 20 0 GFADRO Cc1c(Br)cccc1CS(=O)(=O)N[C@@H]1CC[NH2+]CC1(C)C ZINC000655950569 566098753 /nfs/dbraw/zinc/09/87/53/566098753.db2.gz IBUZAMDFJWYTCX-CQSZACIVSA-N 1 0 375.332 2.565 20 0 GFADRO Cc1c(Br)cccc1CS(=O)(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000655951691 566099434 /nfs/dbraw/zinc/09/94/34/566099434.db2.gz DHHMBDWGFFIGEP-OAHLLOKOSA-N 1 0 375.332 2.567 20 0 GFADRO C[C@@H](NC(=O)N1CCOc2cccc(Br)c2C1)[C@H]1CCC[NH2+]C1 ZINC000655962561 566100066 /nfs/dbraw/zinc/10/00/66/566100066.db2.gz OQSGNPBZZUIULE-OLZOCXBDSA-N 1 0 382.302 2.741 20 0 GFADRO CCC1([NH+]2CCCC2)CCN(C(=O)NCc2c(Br)cnn2C)CC1 ZINC000633430519 566102938 /nfs/dbraw/zinc/10/29/38/566102938.db2.gz LMFPAGZOAKGZGL-UHFFFAOYSA-N 1 0 398.349 2.733 20 0 GFADRO CC(C)[NH2+][C@H]1CCCN(C(=O)Cc2ccccc2I)C1 ZINC000610924449 566105672 /nfs/dbraw/zinc/10/56/72/566105672.db2.gz KOXXMXGGWQUTCM-AWEZNQCLSA-N 1 0 386.277 2.823 20 0 GFADRO C[C@H](C[NH2+]C[C@@H](O)COc1c(Cl)cccc1Cl)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656153388 566106862 /nfs/dbraw/zinc/10/68/62/566106862.db2.gz QMSFIPFESDIFNN-APIJFGDWSA-N 1 0 391.339 2.820 20 0 GFADRO O=C([C@@H]1SCCc2sccc21)N1CCc2[nH]cnc2C12CCOCC2 ZINC000633526718 566107690 /nfs/dbraw/zinc/10/76/90/566107690.db2.gz XHFYCQJPMDXKBU-OAHLLOKOSA-N 1 0 375.519 2.892 20 0 GFADRO O=C(N[C@H]1CC[N@H+](CC2CC2)C1)c1cccc(F)c1I ZINC000611002643 566110009 /nfs/dbraw/zinc/11/00/09/566110009.db2.gz PPQJLMGFLGBGGO-NSHDSACASA-N 1 0 388.224 2.644 20 0 GFADRO O=C(NCC1CC[NH+](CC2CC2)CC1)c1cc(Br)c2nccn2c1 ZINC000633656265 566112466 /nfs/dbraw/zinc/11/24/66/566112466.db2.gz MOSPLNBYQFAHNR-UHFFFAOYSA-N 1 0 391.313 2.949 20 0 GFADRO O=C(Cc1ccc(F)cc1Br)N1CCN(c2cc[nH+]cc2)CC1 ZINC000681613494 566118383 /nfs/dbraw/zinc/11/83/83/566118383.db2.gz AJDAASHZODJLTN-UHFFFAOYSA-N 1 0 378.245 2.875 20 0 GFADRO Cc1cc(Br)cc(NC(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c1 ZINC000681615814 566119058 /nfs/dbraw/zinc/11/90/58/566119058.db2.gz BUEVQQZCBMELCQ-CVEARBPZSA-N 1 0 382.302 2.820 20 0 GFADRO O=C(NCc1cccc(Cl)c1Cl)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000656290559 566122042 /nfs/dbraw/zinc/12/20/42/566122042.db2.gz BGCULHLXXPBHHQ-LSDHHAIUSA-N 1 0 384.307 2.743 20 0 GFADRO O=C(NC1CC[NH2+]CC1)N1CCc2[nH]c3ccc(Br)cc3c2C1 ZINC000633932542 566131030 /nfs/dbraw/zinc/13/10/30/566131030.db2.gz PGAPEXKPUYYEHT-UHFFFAOYSA-N 1 0 377.286 2.750 20 0 GFADRO C[C@@H](C[NH+]1CCCCC1)NC(=O)c1cnc2ncc(Br)cc2c1 ZINC000681958845 566135122 /nfs/dbraw/zinc/13/51/22/566135122.db2.gz NKCYZZHDKIOFHF-LBPRGKRZSA-N 1 0 377.286 2.997 20 0 GFADRO C[N@H+](CCNC(=O)c1cnc2ncc(Br)cc2c1)C1CCCC1 ZINC000681986602 566136060 /nfs/dbraw/zinc/13/60/60/566136060.db2.gz VPDTVMNEGMZWIF-UHFFFAOYSA-N 1 0 377.286 2.997 20 0 GFADRO CN(C(=O)c1cnc2ncc(Br)cc2c1)[C@H]1C[NH+]2CCC1CC2 ZINC000682000564 566137585 /nfs/dbraw/zinc/13/75/85/566137585.db2.gz FINLFZZMQBWVFW-HNNXBMFYSA-N 1 0 375.270 2.559 20 0 GFADRO CC(C)[NH2+][C@@H]1CCCN(C(=O)c2cnc3ncc(Br)cc3c2)C1 ZINC000682031615 566141109 /nfs/dbraw/zinc/14/11/09/566141109.db2.gz NOPCANJDGWENPC-OAHLLOKOSA-N 1 0 377.286 2.995 20 0 GFADRO CS(=O)(=O)N1CCC([NH2+]CC2(c3ccc(C(F)(F)F)cc3)CC2)CC1 ZINC000682142979 566145810 /nfs/dbraw/zinc/14/58/10/566145810.db2.gz CKNJSBBSIZKHCH-UHFFFAOYSA-N 1 0 376.444 2.751 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N[C@H](C)C2CC[NH+](C)CC2)cc1Br ZINC000682193374 566146366 /nfs/dbraw/zinc/14/63/66/566146366.db2.gz VSMFCJLNUZJHGR-CYBMUJFWSA-N 1 0 396.329 2.851 20 0 GFADRO O[C@H](COc1cc(F)cc(Br)c1)C[N@@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000682187386 566146538 /nfs/dbraw/zinc/14/65/38/566146538.db2.gz UEQBWDANOZAPHZ-DOMZBBRYSA-N 1 0 398.276 2.931 20 0 GFADRO C[C@](CO)([NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1)c1ccccc1 ZINC000682219401 566148092 /nfs/dbraw/zinc/14/80/92/566148092.db2.gz XMTXSJAKMFJDIP-SJLPKXTDSA-N 1 0 398.272 2.825 20 0 GFADRO CC1(C)C[N@H+](C[C@@H](O)COc2cc(F)cc(Br)c2)CCCO1 ZINC000682219275 566148119 /nfs/dbraw/zinc/14/81/19/566148119.db2.gz VTGKRMYDKLKTQM-CQSZACIVSA-N 1 0 376.266 2.829 20 0 GFADRO Cc1cc(Br)cc(C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)c1C ZINC000612016501 566149019 /nfs/dbraw/zinc/14/90/19/566149019.db2.gz YAKCYDVZDBSUMM-HNNXBMFYSA-N 1 0 381.314 2.860 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)C(=O)N1CCC[C@H]([NH2+]C(C)C)C1 ZINC000682352103 566150747 /nfs/dbraw/zinc/15/07/47/566150747.db2.gz GYAFPHSPURLCGK-AWEZNQCLSA-N 1 0 382.302 2.685 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)C(=O)N1CCC[C@H]([NH2+]C(C)C)C1 ZINC000682355084 566151245 /nfs/dbraw/zinc/15/12/45/566151245.db2.gz KIFYBFFNDUYONA-HNNXBMFYSA-N 1 0 396.329 2.939 20 0 GFADRO [NH3+]CCCCC(=O)NC1CCN(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000634299622 566151861 /nfs/dbraw/zinc/15/18/61/566151861.db2.gz WIBGTYXPBIIKMX-UHFFFAOYSA-N 1 0 397.317 2.691 20 0 GFADRO O=S(=O)(c1cnccc1C(F)(F)F)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000682367905 566151863 /nfs/dbraw/zinc/15/18/63/566151863.db2.gz DKIMUURECUMHAD-CYBMUJFWSA-N 1 0 377.432 2.739 20 0 GFADRO COC[C@@H]([NH2+][C@@H]1CCN(c2cccc(Br)c2)C1=O)C1CCOCC1 ZINC000656677367 566155056 /nfs/dbraw/zinc/15/50/56/566155056.db2.gz GJYVDOWTNHFZOI-IAGOWNOFSA-N 1 0 397.313 2.586 20 0 GFADRO Cn1ncc(C2CC2)c1C[NH2+]C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000656710540 566156091 /nfs/dbraw/zinc/15/60/91/566156091.db2.gz JMCLFTGUHOSGRN-AWEZNQCLSA-N 1 0 398.276 2.729 20 0 GFADRO CS(=O)(=O)CC1(CC[NH2+]C[C@@H](O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000656705643 566156143 /nfs/dbraw/zinc/15/61/43/566156143.db2.gz RTBROFPQIBIXSY-GFCCVEGCSA-N 1 0 396.336 2.538 20 0 GFADRO Cc1[nH+]c2ccc(Br)cc2c(NCCC2CS(=O)(=O)C2)c1C ZINC000682469839 566156242 /nfs/dbraw/zinc/15/62/42/566156242.db2.gz PXQYMIZQHNBAJW-UHFFFAOYSA-N 1 0 383.311 2.883 20 0 GFADRO C[C@@H](CCc1ccc(Br)cc1)[NH2+]C[C@H](O)CC1(O)CCOCC1 ZINC000634644029 566163441 /nfs/dbraw/zinc/16/34/41/566163441.db2.gz NFUSKIZPTOKPQR-WMLDXEAASA-N 1 0 386.330 2.652 20 0 GFADRO Cn1ncc(C2CC2)c1CNc1cc(N2CCOCC2)c(Br)c[nH+]1 ZINC000656776339 566165290 /nfs/dbraw/zinc/16/52/90/566165290.db2.gz HJYHNCOHKQJJQP-UHFFFAOYSA-N 1 0 392.301 2.904 20 0 GFADRO O[C@@H](C[NH2+]CC1(c2cccc(Br)c2)CCC1)CC1(O)CCOCC1 ZINC000634700634 566170516 /nfs/dbraw/zinc/17/05/16/566170516.db2.gz CRLGWJWSMCSNTE-QGZVFWFLSA-N 1 0 398.341 2.753 20 0 GFADRO O=S1(=O)CCC(CC[NH2+]C[C@@H](O)COc2cc(Cl)cc(Cl)c2)CC1 ZINC000634709150 566171180 /nfs/dbraw/zinc/17/11/80/566171180.db2.gz FFOCROCSNICUHG-OAHLLOKOSA-N 1 0 396.336 2.538 20 0 GFADRO CN1CCCC[C@H]([N@H+](C)CCC(=O)Nc2ccccc2Br)C1=O ZINC000634742705 566174964 /nfs/dbraw/zinc/17/49/64/566174964.db2.gz UIOOPCSKHHTBFW-HNNXBMFYSA-N 1 0 382.302 2.720 20 0 GFADRO C[C@H](CNC(=O)N[C@@H]1CC12CC[NH2+]CC2)Oc1ccc(Br)cc1 ZINC000612977979 566180514 /nfs/dbraw/zinc/18/05/14/566180514.db2.gz UHKIBRVXVVPYAT-IUODEOHRSA-N 1 0 382.302 2.658 20 0 GFADRO COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)N(C)CCCC[NH+](C)C ZINC000683023849 566181758 /nfs/dbraw/zinc/18/17/58/566181758.db2.gz YMBDZOXNADOOOT-UHFFFAOYSA-N 1 0 376.284 2.741 20 0 GFADRO COc1cc(F)c(Br)cc1S(=O)(=O)N(C)CCCC[NH+](C)C ZINC000656931552 566185369 /nfs/dbraw/zinc/18/53/69/566185369.db2.gz YZESFKJAJIILFR-UHFFFAOYSA-N 1 0 397.310 2.559 20 0 GFADRO C[C@@H](C[NH2+][C@@H]1CCCS(=O)(=O)CC1)Oc1ccccc1Br ZINC000634967420 566186252 /nfs/dbraw/zinc/18/62/52/566186252.db2.gz OAMASWTWVOYLNK-QWHCGFSZSA-N 1 0 376.316 2.773 20 0 GFADRO CN(C)C[C@@H]([NH2+][C@H]1CCCS(=O)(=O)CC1)c1cccc(C(F)(F)F)c1 ZINC000634988466 566187980 /nfs/dbraw/zinc/18/79/80/566187980.db2.gz XVQJRJHWWDOFJD-JKSUJKDBSA-N 1 0 378.460 2.865 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)[C@H]1CC[N@@H+]1C1CCCC1 ZINC000635112856 566194261 /nfs/dbraw/zinc/19/42/61/566194261.db2.gz RQHHXUQQKSEHKC-MRXNPFEDSA-N 1 0 394.313 2.829 20 0 GFADRO CC(C)(C[NH+]1CCOCC1)C(=O)NCCc1ccc(Br)s1 ZINC000635170548 566197671 /nfs/dbraw/zinc/19/76/71/566197671.db2.gz PYUSYVAMHMCKFN-UHFFFAOYSA-N 1 0 375.332 2.528 20 0 GFADRO C[NH+]1CCC(CCNC(=O)[C@H]2CC(=O)Nc3ccc(Br)cc32)CC1 ZINC000683618410 566205897 /nfs/dbraw/zinc/20/58/97/566205897.db2.gz TWDGJOWRWQHWAJ-HNNXBMFYSA-N 1 0 394.313 2.723 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@H](CNS(=O)(=O)c2ccc(Br)c(F)c2)C1 ZINC000657033917 566208972 /nfs/dbraw/zinc/20/89/72/566208972.db2.gz PVIVNKBOLNQDSX-LLVKDONJSA-N 1 0 393.322 2.987 20 0 GFADRO CC[C@@H]1Cc2c(Br)cccc2C[N@@H+]1C[C@H](O)CO[C@@H](C)COC ZINC000683676551 566209169 /nfs/dbraw/zinc/20/91/69/566209169.db2.gz DXWLIALZHYFZOW-IMJJTQAJSA-N 1 0 386.330 2.998 20 0 GFADRO C[NH+](C)CC1(C(=O)NC[C@@H]2CCN(c3ccc(Br)cc3)C2)CC1 ZINC000635395150 566209720 /nfs/dbraw/zinc/20/97/20/566209720.db2.gz OOPRJBJNUSYOAE-AWEZNQCLSA-N 1 0 380.330 2.733 20 0 GFADRO Cc1ccc(CN2CCC(NS(=O)(=O)[N-]CC(F)(F)F)CC2)cc1Cl ZINC000683713663 566210139 /nfs/dbraw/zinc/21/01/39/566210139.db2.gz OXJOVHVCDIGVKP-UHFFFAOYSA-N 1 0 399.866 2.599 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@@H]1CNS(=O)(=O)Cc1cccc(Br)c1 ZINC000657034802 566210468 /nfs/dbraw/zinc/21/04/68/566210468.db2.gz OPVIRZZUJYDQAV-CQSZACIVSA-N 1 0 375.332 2.741 20 0 GFADRO C[NH+](C)C[C@]1(O)CCCN(C(=O)c2cc3cc(Br)ccc3o2)C1 ZINC000683911839 566218382 /nfs/dbraw/zinc/21/83/82/566218382.db2.gz IBGQBQJCMDNOOY-QGZVFWFLSA-N 1 0 381.270 2.724 20 0 GFADRO CC[NH+](CC)CCN(Cc1ccc(Cl)cc1)S(=O)(=O)C[C@@H]1CCOC1 ZINC000657122385 566226738 /nfs/dbraw/zinc/22/67/38/566226738.db2.gz VPZIYGFFBNOOHI-QGZVFWFLSA-N 1 0 388.961 2.850 20 0 GFADRO Brc1ccc(-n2cc(C[NH2+]C[C@@H]3CNc4ccnn4C3)cn2)cc1 ZINC000684200803 566230380 /nfs/dbraw/zinc/23/03/80/566230380.db2.gz SYBSPYXWALCLGS-CYBMUJFWSA-N 1 0 387.285 2.663 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)N1CCOc2c(Br)cccc2C1 ZINC000684253167 566231253 /nfs/dbraw/zinc/23/12/53/566231253.db2.gz JQVJGPHGOVTJRN-CABCVRRESA-N 1 0 394.313 2.980 20 0 GFADRO CC(C)[NH2+][C@@H]1CCCN(C(=O)NCCCCn2cc(Br)cn2)C1 ZINC000684290160 566232599 /nfs/dbraw/zinc/23/25/99/566232599.db2.gz HJCPREKBIJLDJP-OAHLLOKOSA-N 1 0 386.338 2.598 20 0 GFADRO OC[C@H](C[NH2+][C@H](c1ccc(Br)cc1)[C@@H]1CCCO1)[C@@H]1CCOC1 ZINC000684611258 566240209 /nfs/dbraw/zinc/24/02/09/566240209.db2.gz AAJRSXNZNBPDFN-MXSMSXNCSA-N 1 0 384.314 2.904 20 0 GFADRO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccccc1-c1ccccc1-c1nn[nH]n1 ZINC000736293127 598827116 /nfs/dbraw/zinc/82/71/16/598827116.db2.gz NJVGQUZAYDRYLV-CVEARBPZSA-N 1 0 388.475 2.842 20 0 GFADRO CCC[N@H+](CCc1cccc(F)c1)CC(=O)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000736479921 598833260 /nfs/dbraw/zinc/83/32/60/598833260.db2.gz MDKUWGNWDZTZMD-UHFFFAOYSA-N 1 0 396.470 2.577 20 0 GFADRO C[C@@H]([NH2+]C(C)(C)CNC(=O)NCc1ccc(-c2nn[nH]n2)cc1)c1ccccc1 ZINC000736130952 598851930 /nfs/dbraw/zinc/85/19/30/598851930.db2.gz IMLAFOSNYUQTHV-OAHLLOKOSA-N 1 0 393.495 2.795 20 0 GFADRO CS[C@H](CO)[C@H](C)[NH2+]Cc1cccc(OCc2ccccc2-c2nn[nH]n2)c1 ZINC000737169877 598887261 /nfs/dbraw/zinc/88/72/61/598887261.db2.gz FQMSTBFXCXLPHJ-IFXJQAMLSA-N 1 0 399.520 2.648 20 0 GFADRO CN(CCCC[NH+](C)C)C(=O)c1ccccc1-c1ccccc1-c1nn[nH]n1 ZINC000736758890 598925427 /nfs/dbraw/zinc/92/54/27/598925427.db2.gz JZEVZCJZGJXMJJ-UHFFFAOYSA-N 1 0 378.480 2.948 20 0 GFADRO c1ccc(C[N@@H+]2CCC[C@H](Nc3c4ccccc4nnc3-c3nn[nH]n3)C2)cc1 ZINC000738433205 598959379 /nfs/dbraw/zinc/95/93/79/598959379.db2.gz RPYSEHCOJMKKHT-INIZCTEOSA-N 1 0 386.463 2.886 20 0 GFADRO CCC[N@H+](CCC(=O)Nc1ccc(-c2nn[nH]n2)cc1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000736472723 598989429 /nfs/dbraw/zinc/98/94/29/598989429.db2.gz XKDWFPNGCXUNIB-QXAKKESOSA-N 1 0 398.511 2.721 20 0 GFADRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+]2C[C@@H](C)C[C@H]2C)c1-c1nn[nH]n1 ZINC000737202497 598990643 /nfs/dbraw/zinc/99/06/43/598990643.db2.gz MWMSWWICYNHUGD-QWHCGFSZSA-N 1 0 397.483 2.595 20 0 GFADRO CC[C@@H]1CCC[C@H](NC(=O)N(CC[NH+](C)C)Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000736397630 599023497 /nfs/dbraw/zinc/02/34/97/599023497.db2.gz WDYQZKQXUYYCTR-APWZRJJASA-N 1 0 399.543 2.909 20 0 GFADRO C[C@@H]1C[NH+](C(C)(C)CNc2nc(C(F)(F)F)ccc2-c2nn[nH]n2)C[C@@H](C)O1 ZINC000736289072 599040862 /nfs/dbraw/zinc/04/08/62/599040862.db2.gz CKKBZSPRTIXZAP-GHMZBOCLSA-N 1 0 399.421 2.580 20 0 GFADRO C[N@H+](Cc1ccc(F)cc1-c1nn[nH]n1)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000736818770 599082694 /nfs/dbraw/zinc/08/26/94/599082694.db2.gz BBFPVVMTBPNAPP-GOSISDBHSA-N 1 0 380.427 2.633 20 0 GFADRO Cc1cc(NCC[N@H+]2CCC[C@H]2C)n2c3ccccc3nc2c1-c1nn[nH]n1 ZINC000822209480 599086403 /nfs/dbraw/zinc/08/64/03/599086403.db2.gz KSPSUYXORIDKEH-CQSZACIVSA-N 1 0 376.468 2.872 20 0 GFADRO Cc1cc(C)c(-c2nn[nH]n2)c(N2CC[C@@H](C)[N@@H+](Cc3ccccc3)CC2)n1 ZINC000822191749 599111736 /nfs/dbraw/zinc/11/17/36/599111736.db2.gz PNDWQNLLIREEDD-QGZVFWFLSA-N 1 0 377.496 2.979 20 0 GFADRO C[C@@H]1C[N@@H+]([C@@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)CC[C@@H]1c1ccccc1 ZINC000736289541 599146800 /nfs/dbraw/zinc/14/68/00/599146800.db2.gz DIDXRZJUBWEWAM-MDASCCDHSA-N 1 0 376.464 2.519 20 0 GFADRO C[C@@H]1C[N@@H+]([C@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)CC[C@H]1c1ccccc1 ZINC000736289544 599146894 /nfs/dbraw/zinc/14/68/94/599146894.db2.gz DIDXRZJUBWEWAM-ZMYBRWDISA-N 1 0 376.464 2.519 20 0 GFADRO Cc1ccccc1OCC[N@@H+](C)CCC(=O)Nc1sccc1-c1nn[nH]n1 ZINC000737430922 599149244 /nfs/dbraw/zinc/14/92/44/599149244.db2.gz AZNPRZDAWMYQKV-UHFFFAOYSA-N 1 0 386.481 2.576 20 0 GFADRO COc1cc(C[N@H+](C)[C@H]2CCOC2)ccc1OCc1cccc(-c2nn[nH]n2)c1 ZINC000737045645 599208696 /nfs/dbraw/zinc/20/86/96/599208696.db2.gz JTSOQYRXHXAYHA-SFHVURJKSA-N 1 0 395.463 2.675 20 0 GFADRO C[C@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)CCCCOc1cccc(-c2nn[nH]n2)c1 ZINC000736295503 599226449 /nfs/dbraw/zinc/22/64/49/599226449.db2.gz VFMSDUOBUWILPE-WMZOPIPTSA-N 1 0 398.511 2.501 20 0 GFADRO C[C@H](CCSc1ccccc1)[NH+]1CCN(c2cc(-c3nn[nH]n3)ccn2)CC1 ZINC000820248825 607264319 /nfs/dbraw/zinc/26/43/19/607264319.db2.gz ODRPVKHGETWCAG-MRXNPFEDSA-N 1 0 395.536 2.955 20 0 GFADRO CC(C)[C@H]1CCCC[N@@H+]1CC(=O)Nc1c(-c2nn[nH]n2)cnn1-c1ccccc1 ZINC000735749522 599233930 /nfs/dbraw/zinc/23/39/30/599233930.db2.gz NCYBDHZGCHGWJU-QGZVFWFLSA-N 1 0 394.483 2.501 20 0 GFADRO Cc1oc(-n2cccc2)c(-c2nn[nH]n2)c1C(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000737548224 599251946 /nfs/dbraw/zinc/25/19/46/599251946.db2.gz OPMDLGGHNZEDPU-OAHLLOKOSA-N 1 0 397.483 2.505 20 0 GFADRO Cc1c(NC(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)cccc1-c1nn[nH]n1 ZINC000822096026 607287615 /nfs/dbraw/zinc/28/76/15/607287615.db2.gz IQXOMNUOVJJRMP-INIZCTEOSA-N 1 0 381.440 2.727 20 0 GFADRO Cc1cc(F)cc2c1ncc(-c1nn[nH]n1)c2NC[C@H](c1ccccc1)[NH+](C)C ZINC000737263203 599255410 /nfs/dbraw/zinc/25/54/10/599255410.db2.gz MKGLKKWUNRDOEL-GOSISDBHSA-N 1 0 391.454 2.999 20 0 GFADRO CC[NH+](CC)CCOc1cc(NCc2ccc(-c3nn[nH]n3)o2)ccc1OC ZINC000821189471 607313935 /nfs/dbraw/zinc/31/39/35/607313935.db2.gz MNEOIYAGJRZZHS-UHFFFAOYSA-N 1 0 386.456 2.801 20 0 GFADRO c1nc2ccc(-c3nn[nH]n3)cn2c1CNc1ccc(CC[NH+]2CCCC2)cc1 ZINC000823756481 607314720 /nfs/dbraw/zinc/31/47/20/607314720.db2.gz AIZMRFRLJSZGJJ-UHFFFAOYSA-N 1 0 388.479 2.765 20 0 GFADRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(CCC(=O)Nc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000736236729 599268741 /nfs/dbraw/zinc/26/87/41/599268741.db2.gz MFFWFEMOPOAJPW-MDZRGWNJSA-N 1 0 397.527 2.533 20 0 GFADRO OC1CC[NH+](Cc2ccccc2CNc2ccc(-c3nn[nH]n3)cc2F)CC1 ZINC000823706214 607327895 /nfs/dbraw/zinc/32/78/95/607327895.db2.gz KLADGGWEUHCAEE-UHFFFAOYSA-N 1 0 382.443 2.575 20 0 GFADRO CN(c1cccc(F)c1-c1nn[nH]n1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000736842677 598243198 /nfs/dbraw/zinc/24/31/98/598243198.db2.gz TUTUQHKCCCWMJX-UHFFFAOYSA-N 1 0 381.459 2.544 20 0 GFADRO CC(C)(C)n1cc(-c2nn[nH]n2)cc1NC(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000735661595 598279467 /nfs/dbraw/zinc/27/94/67/598279467.db2.gz VJQAOADHOIJURS-HNNXBMFYSA-N 1 0 386.504 2.515 20 0 GFADRO CC(C)(C)n1cc(-c2nn[nH]n2)cc1NC(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000735660573 598280719 /nfs/dbraw/zinc/28/07/19/598280719.db2.gz MXQXBSUQAILLKC-HNNXBMFYSA-N 1 0 386.504 2.515 20 0 GFADRO CC(C)Oc1ccc(C[NH+]2CCN(c3ccccc3-c3nn[nH]n3)CC2)cc1 ZINC000735915269 598354308 /nfs/dbraw/zinc/35/43/08/598354308.db2.gz OAXISPVTAHZRDW-UHFFFAOYSA-N 1 0 378.480 2.976 20 0 GFADRO CC(C)Oc1ccc(CN2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)cc1 ZINC000735915220 598354555 /nfs/dbraw/zinc/35/45/55/598354555.db2.gz MHUDEFAUSFVEDV-UHFFFAOYSA-N 1 0 392.507 2.972 20 0 GFADRO Cc1ccc2oc(N3CC[NH+](Cc4ccccc4-c4nn[nH]n4)CC3)nc2c1 ZINC000737381162 598364631 /nfs/dbraw/zinc/36/46/31/598364631.db2.gz VYCSQVDYCSJQNX-UHFFFAOYSA-N 1 0 375.436 2.639 20 0 GFADRO CC(C)(C)c1coc(CN2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)n1 ZINC000735652247 598365800 /nfs/dbraw/zinc/36/58/00/598365800.db2.gz DXPMHXRUJNSLFR-UHFFFAOYSA-N 1 0 395.511 2.860 20 0 GFADRO C[NH+]1CCC(Nc2ccccc2NC(=O)c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000736854624 598373510 /nfs/dbraw/zinc/37/35/10/598373510.db2.gz GBOIFQJMBPJRAQ-UHFFFAOYSA-N 1 0 377.452 2.625 20 0 GFADRO O=C(CC[N@H+]1CC[C@@H](c2ccccc2F)C1)Nc1ccccc1-c1nn[nH]n1 ZINC000737838815 598418339 /nfs/dbraw/zinc/41/83/39/598418339.db2.gz NIHXEMAPBFNHDE-CQSZACIVSA-N 1 0 380.427 2.824 20 0 GFADRO COc1ccc(C)cc1[C@H](C)[NH2+][C@@H](C)C(=O)Nc1ccccc1-c1nn[nH]n1 ZINC000737077757 598431384 /nfs/dbraw/zinc/43/13/84/598431384.db2.gz XTJRPIRDWQPQKC-KBPBESRZSA-N 1 0 380.452 2.862 20 0 GFADRO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000736827959 598454829 /nfs/dbraw/zinc/45/48/29/598454829.db2.gz JZLGVVRBDDHPSJ-UHFFFAOYSA-N 1 0 390.491 2.851 20 0 GFADRO C[C@H](CNC(=O)N(Cc1ccc(-c2nn[nH]n2)cc1)C1CC1)[N@@H+]1CCCC[C@H]1C ZINC000736269905 598478016 /nfs/dbraw/zinc/47/80/16/598478016.db2.gz ZDLPTHMUUHWMOV-HZPDHXFCSA-N 1 0 397.527 2.804 20 0 GFADRO COc1ccc(C2([NH2+]CCOc3ccc(-c4nn[nH]n4)cc3)CCOCC2)cc1 ZINC000737077884 598487247 /nfs/dbraw/zinc/48/72/47/598487247.db2.gz VYFPRRNWIOWQEJ-UHFFFAOYSA-N 1 0 395.463 2.550 20 0 GFADRO Cc1ncsc1C[N@H+](C)CCC(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000737503181 598539440 /nfs/dbraw/zinc/53/94/40/598539440.db2.gz KXGWQNKWTVSFNJ-UHFFFAOYSA-N 1 0 391.888 2.746 20 0 GFADRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)N(C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000736457347 598540433 /nfs/dbraw/zinc/54/04/33/598540433.db2.gz NYJNZAZOVSVCGV-GOSISDBHSA-N 1 0 385.516 2.663 20 0 GFADRO CN(C)C(C)(C)C[NH2+]Cc1cccc(OCc2ccccc2-c2nn[nH]n2)c1 ZINC000736757464 598560309 /nfs/dbraw/zinc/56/03/09/598560309.db2.gz AUUQBGRHLHEPFP-UHFFFAOYSA-N 1 0 380.496 2.876 20 0 GFADRO Clc1ccc(NCCC[NH+]2CCN(c3ccccc3)CC2)nc1-c1nn[nH]n1 ZINC000737573044 598573501 /nfs/dbraw/zinc/57/35/01/598573501.db2.gz DSJHOYHBPUKYBZ-UHFFFAOYSA-N 1 0 398.902 2.539 20 0 GFADRO O=C(NCc1cccc(-c2nn[nH]n2)c1)NC[C@@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000738117192 598582982 /nfs/dbraw/zinc/58/29/82/598582982.db2.gz OPCWETPBYNZPET-IBGZPJMESA-N 1 0 397.527 2.711 20 0 GFADRO CCN1C[C@H](C[N@H+](C)Cc2ccc(F)cc2-c2nn[nH]n2)Oc2ccccc21 ZINC000736566308 598678426 /nfs/dbraw/zinc/67/84/26/598678426.db2.gz YRFUHKDHPHQASX-INIZCTEOSA-N 1 0 382.443 2.725 20 0 GFADRO C[N@@H+]1CCC[C@H]1[C@@H]1CCCN1C(=O)CCCCOc1cccc(-c2nn[nH]n2)c1 ZINC000736860486 598688284 /nfs/dbraw/zinc/68/82/84/598688284.db2.gz RLPGIDPEXZYJSH-OALUTQOASA-N 1 0 398.511 2.501 20 0 GFADRO C[C@H](NC(=O)NCCCCC[NH+]1CCCCC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000736120414 598715171 /nfs/dbraw/zinc/71/51/71/598715171.db2.gz ZMAXLSAJOCAAOK-INIZCTEOSA-N 1 0 385.516 2.883 20 0 GFADRO c1ccc(-c2nn[nH]n2)c(OCCN2CCC[C@H](C[NH+]3CCCCCC3)C2)c1 ZINC000738426732 598717877 /nfs/dbraw/zinc/71/78/77/598717877.db2.gz UGWAUGGERQYHJU-GOSISDBHSA-N 1 0 384.528 2.834 20 0 GFADRO C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)Nc1cc(-c2nn[nH]n2)cn1C(C)(C)C ZINC000736859348 598757842 /nfs/dbraw/zinc/75/78/42/598757842.db2.gz FYYWLNXVBJIATG-CABCVRRESA-N 1 0 386.504 2.514 20 0 GFADRO CCC[N@@H+]1CC[C@@H](CNC(=O)Nc2ccc(-c3nn[nH]n3)c(C(F)(F)F)c2)C1 ZINC000821110254 599294558 /nfs/dbraw/zinc/29/45/58/599294558.db2.gz YSAZZRAVISSWQA-NSHDSACASA-N 1 0 397.405 2.739 20 0 GFADRO O=C(Nc1ccc(-c2nn[nH]n2)c(C(F)(F)F)c1)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000823303033 599295788 /nfs/dbraw/zinc/29/57/88/599295788.db2.gz CEVCMKUJYVYLCJ-VXGBXAGGSA-N 1 0 395.389 2.634 20 0 GFADRO Cc1ccc(NC(=O)C2CC[NH+]([C@H](C)c3ccc(-c4nn[nH]n4)cc3)CC2)nc1 ZINC000737355952 599313313 /nfs/dbraw/zinc/31/33/13/599313313.db2.gz NGIKJAAPPDQHDT-OAHLLOKOSA-N 1 0 391.479 2.982 20 0 GFADRO Cc1ccc(N2CCC[C@@H]([N@@H+](C)[C@H](C)c3ccc(-c4nn[nH]n4)cc3)C2)nn1 ZINC000737351661 599317490 /nfs/dbraw/zinc/31/74/90/599317490.db2.gz MQUFAWKGRFKNRS-CRAIPNDOSA-N 1 0 378.484 2.627 20 0 GFADRO O=C(NCc1ccc(-c2nn[nH]n2)cc1)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000174705141 599319840 /nfs/dbraw/zinc/31/98/40/599319840.db2.gz LKHGYKSENVHEBV-IBGZPJMESA-N 1 0 376.464 2.538 20 0 GFADRO C[C@@H]([NH2+]C[C@H](C)N1CCN(c2ccccc2)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000820418983 599366530 /nfs/dbraw/zinc/36/65/30/599366530.db2.gz CYECOYFDBMDTRH-ZWKOTPCHSA-N 1 0 391.523 2.728 20 0 GFADRO C[NH+](C)CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)c1cc2occc2s1 ZINC000736766589 599374277 /nfs/dbraw/zinc/37/42/77/599374277.db2.gz DBJQZJOFGXHAAX-UHFFFAOYSA-N 1 0 396.476 2.878 20 0 GFADRO CC(C)(C)[NH2+]CCNC(=O)c1cccc(Nc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000819923013 599381392 /nfs/dbraw/zinc/38/13/92/599381392.db2.gz TVBOMKMPXQMYSS-UHFFFAOYSA-N 1 0 379.468 2.728 20 0 GFADRO C[C@@H]([NH2+][C@H]1CCN(c2ccc(Cl)cc2)C1=O)c1cccc(-c2nn[nH]n2)c1 ZINC000820420757 599389990 /nfs/dbraw/zinc/38/99/90/599389990.db2.gz WOHSJKNZISFTFC-PXAZEXFGSA-N 1 0 382.855 2.976 20 0 GFADRO CC(=O)c1cccc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2cccc(-c3nn[nH]n3)c2)c1 ZINC000819844414 599390449 /nfs/dbraw/zinc/39/04/49/599390449.db2.gz HLHAFCBJVWWBKX-CHWSQXEVSA-N 1 0 378.436 2.747 20 0 GFADRO COc1ccc(C[NH2+]CC(=O)Nc2c(C)cc(C)cc2C)cc1-c1nn[nH]n1 ZINC000821810165 599392627 /nfs/dbraw/zinc/39/26/27/599392627.db2.gz XDWDQHNBRLLFKE-UHFFFAOYSA-N 1 0 380.452 2.529 20 0 GFADRO C[C@@H](NC(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1)c1cccc(-c2nn[nH]n2)c1 ZINC000820709739 599421924 /nfs/dbraw/zinc/42/19/24/599421924.db2.gz LMQFINPMQRAWQD-HUUCEWRRSA-N 1 0 385.516 2.737 20 0 GFADRO COc1ccc(C[NH2+]CCCc2nc3c(s2)CCCC3)cc1-c1nn[nH]n1 ZINC000821813505 599425561 /nfs/dbraw/zinc/42/55/61/599425561.db2.gz HZGRJZCFXJSKEF-UHFFFAOYSA-N 1 0 384.509 2.933 20 0 GFADRO FC(F)(F)c1ccc(C[N@@H+]2CC[C@H](Nc3cccc(-c4nn[nH]n4)n3)C2)cc1 ZINC000737636912 599439538 /nfs/dbraw/zinc/43/95/38/599439538.db2.gz VTMWFSQRLLYASN-AWEZNQCLSA-N 1 0 389.385 2.967 20 0 GFADRO FC(F)(F)c1ccc(C[N@@H+]2CC[C@@H](Nc3cccc(-c4nn[nH]n4)n3)C2)cc1 ZINC000737636916 599439805 /nfs/dbraw/zinc/43/98/05/599439805.db2.gz VTMWFSQRLLYASN-CQSZACIVSA-N 1 0 389.385 2.967 20 0 GFADRO C[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@@H+]1CC(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000736238721 599478353 /nfs/dbraw/zinc/47/83/53/599478353.db2.gz ZQPBSLWFNRZEEV-CZUORRHYSA-N 1 0 380.427 2.822 20 0 GFADRO O=C(C[N@H+]1CC[C@@H](Cc2ccc(F)cc2)C1)Nc1sccc1-c1nn[nH]n1 ZINC000737875810 599478931 /nfs/dbraw/zinc/47/89/31/599478931.db2.gz MWGOKTVTDMSIAV-ZDUSSCGKSA-N 1 0 386.456 2.570 20 0 GFADRO CCN(CC)[C@H](C[NH2+]Cc1cnc2ccc(-c3nn[nH]n3)cn12)c1ccccc1 ZINC000736533709 599482553 /nfs/dbraw/zinc/48/25/53/599482553.db2.gz IYVCSBOINXPXML-LJQANCHMSA-N 1 0 390.495 2.687 20 0 GFADRO CC(C)c1ccc(OCC[NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)cc1 ZINC000735928172 599485651 /nfs/dbraw/zinc/48/56/51/599485651.db2.gz HNZNQGMTECLKFA-UHFFFAOYSA-N 1 0 377.452 2.806 20 0 GFADRO CCc1ccc(C[NH+]2CCN(c3ccc(Cl)c(-c4nn[nH]n4)n3)CC2)s1 ZINC000736690600 599528421 /nfs/dbraw/zinc/52/84/21/599528421.db2.gz LSOOPMBTIXIMOZ-UHFFFAOYSA-N 1 0 389.916 2.861 20 0 GFADRO Cc1ccccc1[C@@H]1C[C@@H](C)[N@@H+](CC(=O)NCc2cccc(-c3nn[nH]n3)c2)C1 ZINC000737424312 599585319 /nfs/dbraw/zinc/58/53/19/599585319.db2.gz XBZCAAXGIJLDSB-VQIMIIECSA-N 1 0 390.491 2.669 20 0 GFADRO CN(CCOc1ccc(-c2nn[nH]n2)cc1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000821603548 599592936 /nfs/dbraw/zinc/59/29/36/599592936.db2.gz DJCKYLKCBWSNSJ-IBGZPJMESA-N 1 0 392.507 2.699 20 0 GFADRO CN(C)c1cccc(C[NH+]2CCC(Oc3ccc(-c4nn[nH]n4)cc3)CC2)c1 ZINC000821591018 599637519 /nfs/dbraw/zinc/63/75/19/599637519.db2.gz QLCDJHKKTXYUBE-UHFFFAOYSA-N 1 0 378.480 2.976 20 0 GFADRO C[C@H]1c2ccc(F)cc2CC[N@H+]1CCC(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000820827971 599639177 /nfs/dbraw/zinc/63/91/77/599639177.db2.gz ZGYJCYRQQUVLJL-ZDUSSCGKSA-N 1 0 380.427 2.954 20 0 GFADRO C[C@H]1C[N@H+](CCC(=O)Nc2ccccc2-c2nn[nH]n2)[C@@H](c2ccccc2)CO1 ZINC000820753562 599645364 /nfs/dbraw/zinc/64/53/64/599645364.db2.gz ZHAPSJBQWQYBAE-HNAYVOBHSA-N 1 0 392.463 2.657 20 0 GFADRO C[C@H]1CC[N@H+](CCOc2ccc(NC(=O)c3ccc(-c4nn[nH]n4)cc3)cc2)C1 ZINC000820723189 599654860 /nfs/dbraw/zinc/65/48/60/599654860.db2.gz WWJNKGXWZAJHAO-HNNXBMFYSA-N 1 0 392.463 2.840 20 0 GFADRO CC[NH+](CC)[C@H](CNC(=O)N[C@H](C)c1cccc(-c2nn[nH]n2)c1)CC(C)C ZINC000821180726 599667171 /nfs/dbraw/zinc/66/71/71/599667171.db2.gz GHBPSFWHRVVXBY-QAPCUYQASA-N 1 0 387.532 2.983 20 0 GFADRO Cc1ccc(CN(CC[NH+](C)C)C(=O)N[C@@H](C)c2cccc(-c3nn[nH]n3)c2)o1 ZINC000822237113 599681815 /nfs/dbraw/zinc/68/18/15/599681815.db2.gz FWQJULUYUKZBHP-HNNXBMFYSA-N 1 0 397.483 2.603 20 0 GFADRO CN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000821613171 599696560 /nfs/dbraw/zinc/69/65/60/599696560.db2.gz ALLYGEOXJHNDIP-UHFFFAOYSA-N 1 0 385.431 2.699 20 0 GFADRO CC(C)Oc1ccc(NC(=O)NCC[NH+]2CCCCCC2)cc1-c1nn[nH]n1 ZINC000820169653 607424231 /nfs/dbraw/zinc/42/42/31/607424231.db2.gz MIDVTZKUNZEYNS-UHFFFAOYSA-N 1 0 387.488 2.651 20 0 GFADRO C[C@@H]([C@@H]1Cc2ccccc2O1)[N@H+](C)CCC(=O)Nc1sccc1-c1nn[nH]n1 ZINC000824377779 607472664 /nfs/dbraw/zinc/47/26/64/607472664.db2.gz MZERXNOXDIIVCP-LRDDRELGSA-N 1 0 398.492 2.581 20 0 GFADRO O[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)c1cccc(C(F)(F)F)c1 ZINC000823683067 607481011 /nfs/dbraw/zinc/48/10/11/607481011.db2.gz XVJFDKYKWRHSPI-HNNXBMFYSA-N 1 0 381.333 2.848 20 0 GFADRO COc1ccc(C[N@@H+]2CCCC[C@@H]2Cn2nc(C)cc2C)cc1-c1nn[nH]n1 ZINC000826194665 607497027 /nfs/dbraw/zinc/49/70/27/607497027.db2.gz SBIWJGQOSVTFRG-QGZVFWFLSA-N 1 0 381.484 2.743 20 0 GFADRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+](C)CCC2CC2)c1-c1nn[nH]n1 ZINC000826233484 607523704 /nfs/dbraw/zinc/52/37/04/607523704.db2.gz JELPPHPMNGSQMF-UHFFFAOYSA-N 1 0 397.483 2.597 20 0 GFADRO COc1ccc(-c2nn[nH]n2)cc1C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000826183274 607526575 /nfs/dbraw/zinc/52/65/75/607526575.db2.gz JYRJSDLQUMLKGM-INIZCTEOSA-N 1 0 379.420 2.941 20 0 GFADRO CCOC(=O)CCC1CC[NH+](CCCOc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000825505990 607526687 /nfs/dbraw/zinc/52/66/87/607526687.db2.gz AZGHISOLHFNKLS-UHFFFAOYSA-N 1 0 387.484 2.691 20 0 GFADRO COc1ccc(-c2nn[nH]n2)cc1C[N@@H+]1CC[C@@H](CNc2cc(C)ccn2)C1 ZINC000826182453 607527013 /nfs/dbraw/zinc/52/70/13/607527013.db2.gz KGQYAFJGMAMYCG-HNNXBMFYSA-N 1 0 379.468 2.513 20 0 GFADRO COc1ccc(-c2nn[nH]n2)cc1C[N@@H+]1CCCC[C@@H]1Cn1nc(C)cc1C ZINC000826183779 607527753 /nfs/dbraw/zinc/52/77/53/607527753.db2.gz ZPLKOQCVTPAIPB-GOSISDBHSA-N 1 0 381.484 2.743 20 0 GFADRO COC[C@H]([NH2+]Cc1cccc(OCc2cccc(-c3nn[nH]n3)c2)c1)C1CC1 ZINC000826150674 607539409 /nfs/dbraw/zinc/53/94/09/607539409.db2.gz JMKDLXGOUDVUHU-FQEVSTJZSA-N 1 0 379.464 2.960 20 0 GFADRO CCOc1ccc(-c2nn[nH]n2)cc1NC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000825627118 607559621 /nfs/dbraw/zinc/55/96/21/607559621.db2.gz UELMOTNPADJQMA-UHFFFAOYSA-N 1 0 387.488 2.507 20 0 GFADRO C[N@H+](CC1CCN(C(=O)[O-])CC1)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000739664120 602678339 /nfs/dbraw/zinc/67/83/39/602678339.db2.gz HRZRLECNYZGWQK-NRFANRHFSA-N 1 0 389.540 2.754 20 0 GFADRO CCN(C[C@@H]1CC[N@H+](Cc2cc(-c3nn[nH]n3)ccc2OC)C1)CC(F)(F)F ZINC000825418183 607636844 /nfs/dbraw/zinc/63/68/44/607636844.db2.gz YDTMGOLVVIYRAX-ZDUSSCGKSA-N 1 0 398.433 2.581 20 0 GFADRO CC(C)C[N@@H+]1Cc2cccc(NC(=O)CNc3ccc(-c4nn[nH]n4)cc3)c2C1 ZINC000824261260 607638314 /nfs/dbraw/zinc/63/83/14/607638314.db2.gz GRJKRXJGTYWCOD-UHFFFAOYSA-N 1 0 391.479 2.889 20 0 GFADRO COc1ccc(-c2nn[nH]n2)cc1C[N@H+](CCc1ccccc1)[C@H]1CCOC1 ZINC000826182728 607641102 /nfs/dbraw/zinc/64/11/02/607641102.db2.gz RZLYQISYJCYUAI-IBGZPJMESA-N 1 0 379.464 2.709 20 0 GFADRO CC(C)(C)OC(=O)N1CCC([NH2+]C2(c3cccc(-c4nn[nH]n4)c3)CC2)CC1 ZINC000824103913 607705615 /nfs/dbraw/zinc/70/56/15/607705615.db2.gz LVTGIBFJTSHHQH-UHFFFAOYSA-N 1 0 384.484 2.845 20 0 GFADRO CCCN(C(=O)c1ccc(-c2nn[nH]n2)[nH]1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000825301222 607719110 /nfs/dbraw/zinc/71/91/10/607719110.db2.gz KDPPDZIQRFHJAS-QGZVFWFLSA-N 1 0 393.495 2.712 20 0 GFADRO O=C([O-])CCC[NH+]1CCC([NH2+]Cc2ccc(NC(=O)c3ccco3)cc2)CC1 ZINC000833772789 605222772 /nfs/dbraw/zinc/22/27/72/605222772.db2.gz AGBOBYQXJOLQLT-UHFFFAOYSA-N 1 0 385.464 2.951 20 0 GFADRO O=C([O-])CCC[NH+]1CCC([NH2+][C@H]2CCCN(Cc3c(F)cccc3F)C2)CC1 ZINC000833774211 605223451 /nfs/dbraw/zinc/22/34/51/605223451.db2.gz ZWQOYJNTSMVDJV-KRWDZBQOSA-N 1 0 395.494 2.848 20 0 GFADRO CN1CC[C@@H]([NH2+]C2CC[NH+](CCCC(=O)[O-])CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000833698569 605228187 /nfs/dbraw/zinc/22/81/87/605228187.db2.gz PVIFNGGFQMOZFQ-UYAOXDASSA-N 1 0 381.467 2.629 20 0 GFADRO C[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)C[N@@H+]1Cc1cc(-c2nn[nH]n2)ccc1F ZINC000824882379 607750225 /nfs/dbraw/zinc/75/02/25/607750225.db2.gz AVBWTZIQGGOTIP-OLZOCXBDSA-N 1 0 390.463 2.741 20 0 GFADRO c1cc(-c2nnc(C[NH+]3CCC(C4CCOCC4)CC3)o2)ccc1-c1nn[nH]n1 ZINC000826512462 607757104 /nfs/dbraw/zinc/75/71/04/607757104.db2.gz BGBFBFVIMXEGGH-UHFFFAOYSA-N 1 0 395.467 2.555 20 0 GFADRO O=C(Nc1cccc(-c2nn[nH]n2)c1)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000826456018 607758103 /nfs/dbraw/zinc/75/81/03/607758103.db2.gz MXGNTYPCDALBNY-UHFFFAOYSA-N 1 0 383.500 2.987 20 0 GFADRO O=C([O-])NC[C@@H]1CCCC[C@@H]1[NH2+]CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000834224483 605611317 /nfs/dbraw/zinc/61/13/17/605611317.db2.gz YKGWIQQTZYXJIZ-PCCBWWKXSA-N 1 0 389.540 2.848 20 0 GFADRO C[N@H+](CCOc1cccc(-c2nn[nH]n2)c1)[C@@H]1CCCN(c2ccccc2)C1 ZINC000821605210 606076627 /nfs/dbraw/zinc/07/66/27/606076627.db2.gz ZLTKMPKPFPHJDI-LJQANCHMSA-N 1 0 378.480 2.846 20 0 GFADRO C[N@H+](CCOc1ccccc1-c1nn[nH]n1)[C@H]1CCCN(c2ccccc2)C1 ZINC000821604917 606077421 /nfs/dbraw/zinc/07/74/21/606077421.db2.gz MWULXKKQPLEBDN-SFHVURJKSA-N 1 0 378.480 2.846 20 0 GFADRO CC[N@H+](CCC(=O)Nc1c(-c2nn[nH]n2)c(C)c(C)n1Cc1ccco1)C(C)C ZINC000821206825 606111588 /nfs/dbraw/zinc/11/15/88/606111588.db2.gz FUWVKDYYRGHUGH-UHFFFAOYSA-N 1 0 399.499 2.985 20 0 GFADRO CC(C)OCC[NH+]1CCC(Nc2cc(-c3nn[nH]n3)c3ccccc3n2)CC1 ZINC000820146700 606164090 /nfs/dbraw/zinc/16/40/90/606164090.db2.gz RSEPAWULYYYJKJ-UHFFFAOYSA-N 1 0 381.484 2.716 20 0 GFADRO C[C@H]1C[C@H](NC(=O)c2cccc(-c3nn[nH]n3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000820659438 606188311 /nfs/dbraw/zinc/18/83/11/606188311.db2.gz XGPYMGHIMMGJOE-HNAYVOBHSA-N 1 0 376.464 2.650 20 0 GFADRO C[C@H]1C[C@@H](NC(=O)c2cccc(-c3nn[nH]n3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000820659439 606188332 /nfs/dbraw/zinc/18/83/32/606188332.db2.gz XGPYMGHIMMGJOE-KXBFYZLASA-N 1 0 376.464 2.650 20 0 GFADRO C[C@@H]([NH2+]C1(CNCc2cc(-c3nn[nH]n3)cs2)CCOCC1)c1ccccc1 ZINC000820412705 606221132 /nfs/dbraw/zinc/22/11/32/606221132.db2.gz MOGAPIRIHRXZKB-OAHLLOKOSA-N 1 0 398.536 2.918 20 0 GFADRO CCOc1cccc([C@H](C)[NH2+][C@H]2CCN(c3sccc3-c3nn[nH]n3)C2=O)c1 ZINC000821427544 606302789 /nfs/dbraw/zinc/30/27/89/606302789.db2.gz UUKMOWXIRMVOGE-LRDDRELGSA-N 1 0 398.492 2.783 20 0 GFADRO O=S(=O)(CC[NH2+]CCCC1CCCCC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823562468 606308614 /nfs/dbraw/zinc/30/86/14/606308614.db2.gz RPPCNEQXDPJPGX-UHFFFAOYSA-N 1 0 377.514 2.591 20 0 GFADRO COC(=O)[C@H](c1ccc(-c2nn[nH]n2)cc1)[N@@H+]1CC[C@H](c2ccccc2)[C@H]1C ZINC000821649972 606336336 /nfs/dbraw/zinc/33/63/36/606336336.db2.gz HLRLFRWOIVTIEU-CCKFTAQKSA-N 1 0 377.448 2.959 20 0 GFADRO CCOc1ccc(-c2nn[nH]n2)cc1NC(=O)N1C[C@@H]2CCCC[N@@H+]2C[C@@H]1CC ZINC000821407704 606344819 /nfs/dbraw/zinc/34/48/19/606344819.db2.gz VMUZFXRJEDMDHH-HOTGVXAUSA-N 1 0 399.499 2.746 20 0 GFADRO CN(C)c1ccc(N2CCC([NH2+]Cc3ccc(-c4nn[nH]n4)s3)CC2)cc1 ZINC000821589670 606424151 /nfs/dbraw/zinc/42/41/51/606424151.db2.gz YHTPLCQPQDXMDI-UHFFFAOYSA-N 1 0 383.525 2.753 20 0 GFADRO Cn1cc([C@@H]2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3OC(F)F)C2)cn1 ZINC000822674352 606487690 /nfs/dbraw/zinc/48/76/90/606487690.db2.gz QZDYIMYYFHZXHO-CYBMUJFWSA-N 1 0 389.410 2.581 20 0 GFADRO C[C@H]1C[N@@H+]2CCCC[C@H]2CN1Cc1ccc(-c2nn[nH]n2)cc1OC(F)F ZINC000820803966 606494403 /nfs/dbraw/zinc/49/44/03/606494403.db2.gz KIWFMIYQZQLAHB-WFASDCNBSA-N 1 0 378.427 2.527 20 0 GFADRO C[N@H+](CC1CC1)C[C@H]1CCN(Cc2ccc(-c3nn[nH]n3)cc2OC(F)F)C1 ZINC000821596573 606506133 /nfs/dbraw/zinc/50/61/33/606506133.db2.gz OIXKWIRUMZFIMK-CQSZACIVSA-N 1 0 392.454 2.632 20 0 GFADRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)c1cc(-c2nn[nH]n2)cs1 ZINC000820758985 606515701 /nfs/dbraw/zinc/51/57/01/606515701.db2.gz GMASVQODXVIAEG-AWEZNQCLSA-N 1 0 382.493 2.665 20 0 GFADRO C[C@@H](C(=O)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)C1CCCC1 ZINC000819853986 606520896 /nfs/dbraw/zinc/52/08/96/606520896.db2.gz AAQLVYLVLIQJSZ-MRXNPFEDSA-N 1 0 382.512 2.727 20 0 GFADRO CC[C@@H]1C[N@@H+]2CCCC[C@H]2CN1Cc1ccc(-c2nn[nH]n2)cc1OC(F)F ZINC000821002472 606524193 /nfs/dbraw/zinc/52/41/93/606524193.db2.gz XDZJDHHTKAVUBK-CVEARBPZSA-N 1 0 392.454 2.917 20 0 GFADRO FC(F)Oc1cc(-c2nn[nH]n2)ccc1C[NH+]1CCC(c2c[nH]cn2)CC1 ZINC000822732976 606524581 /nfs/dbraw/zinc/52/45/81/606524581.db2.gz POMFPRSEYYRLBC-UHFFFAOYSA-N 1 0 375.383 2.571 20 0 GFADRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)Cc1cccc(-c2nn[nH]n2)c1 ZINC000820111651 606525967 /nfs/dbraw/zinc/52/59/67/606525967.db2.gz FHDPTELVUXFUIF-UHFFFAOYSA-N 1 0 378.480 2.566 20 0 GFADRO O=C(CC[N@@H+]1CCS[C@H]2CCCC[C@H]21)Nc1sccc1-c1nn[nH]n1 ZINC000822969564 606528402 /nfs/dbraw/zinc/52/84/02/606528402.db2.gz RFMKRWUKOOWOST-OLZOCXBDSA-N 1 0 378.527 2.617 20 0 GFADRO CCOc1ccc(-c2nn[nH]n2)cc1NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000821401627 606532621 /nfs/dbraw/zinc/53/26/21/606532621.db2.gz YFKSDNGGUNNGAA-OAHLLOKOSA-N 1 0 384.484 2.859 20 0 GFADRO Cc1ccc([C@H](CNC(=O)c2ccc(-c3nn[nH]n3)s2)[NH+]2CCCC2)cc1 ZINC000822230409 606539738 /nfs/dbraw/zinc/53/97/38/606539738.db2.gz FPCBUYBOKOQKLS-HNNXBMFYSA-N 1 0 382.493 2.804 20 0 GFADRO C[NH+](C)CCOc1ccc(NC(=O)c2cc(-c3nn[nH]n3)cs2)cc1Cl ZINC000821587352 606542818 /nfs/dbraw/zinc/54/28/18/606542818.db2.gz SYKSTLGSOJVYKU-UHFFFAOYSA-N 1 0 392.872 2.774 20 0 GFADRO C[C@@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)c1ccc(-c2nn[nH]n2)s1 ZINC000820722944 606580851 /nfs/dbraw/zinc/58/08/51/606580851.db2.gz RXXOOACQUGFLDF-CQSZACIVSA-N 1 0 382.493 2.665 20 0 GFADRO CC(C)CN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000820087270 606603038 /nfs/dbraw/zinc/60/30/38/606603038.db2.gz OTCHESCQBVRANZ-RBUKOAKNSA-N 1 0 399.543 2.907 20 0 GFADRO CC[N@H+](CCC(=O)Nc1cccc(-c2nn[nH]n2)c1)[C@@H](C)c1cccc(O)c1 ZINC000821207554 606621604 /nfs/dbraw/zinc/62/16/04/606621604.db2.gz QJYKWXNHOMAXKR-AWEZNQCLSA-N 1 0 380.452 2.984 20 0 GFADRO Cc1nc2ccccn2c1C[NH2+]C1CCN(c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000822462651 606640401 /nfs/dbraw/zinc/64/04/01/606640401.db2.gz KPNAKALACRWCFO-UHFFFAOYSA-N 1 0 388.479 2.581 20 0 GFADRO O=C(N[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000823149837 606669782 /nfs/dbraw/zinc/66/97/82/606669782.db2.gz HVSZNTSBQJSCAR-HNNXBMFYSA-N 1 0 398.417 2.539 20 0 GFADRO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)C1 ZINC000820649986 606670222 /nfs/dbraw/zinc/67/02/22/606670222.db2.gz PZUQWPLQHAPXNT-STQMWFEESA-N 1 0 392.454 2.633 20 0 GFADRO COc1ccc(C[NH2+][C@H]2CCN(c3c(F)cccc3F)C2)cc1-c1nn[nH]n1 ZINC000821808937 606729872 /nfs/dbraw/zinc/72/98/72/606729872.db2.gz KUGOXDJHXKSORH-ZDUSSCGKSA-N 1 0 386.406 2.522 20 0 GFADRO c1ccc(-c2ccc(C[N@@H+]3CCO[C@H]([C@@H]4CCCO4)C3)cc2)c(-c2nn[nH]n2)c1 ZINC000823766454 606771787 /nfs/dbraw/zinc/77/17/87/606771787.db2.gz DGFXNIAOFLETNG-SFTDATJTSA-N 1 0 391.475 2.914 20 0 GFADRO Cc1cc(-c2nn[nH]n2)ccc1Oc1ccc(C(=O)NC[C@H](C)[NH+](C)C)cc1 ZINC000822145348 606785965 /nfs/dbraw/zinc/78/59/65/606785965.db2.gz QTAMQOXLBBCBPX-AWEZNQCLSA-N 1 0 380.452 2.647 20 0 GFADRO CC(C)CN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000820087519 606810540 /nfs/dbraw/zinc/81/05/40/606810540.db2.gz TVEIWUDVKJTLJR-QFBILLFUSA-N 1 0 399.543 2.763 20 0 GFADRO CCCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)NC[C@H]1CC[N@H+](CC(C)C)C1 ZINC000821104801 606811363 /nfs/dbraw/zinc/81/13/63/606811363.db2.gz RJEKZRPICUPQQP-GOSISDBHSA-N 1 0 399.543 2.766 20 0 GFADRO O[C@@H](C[NH2+]CCOc1ccc2ccccc2c1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823681533 606848473 /nfs/dbraw/zinc/84/84/73/606848473.db2.gz GECZRXFSMICQHS-FQEVSTJZSA-N 1 0 375.432 2.722 20 0 GFADRO O[C@@H](C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2)c1ccc(-c2nn[nH]n2)cc1 ZINC000823681479 606849493 /nfs/dbraw/zinc/84/94/93/606849493.db2.gz DUTGNZISMPGBGI-MSOLQXFVSA-N 1 0 393.447 2.508 20 0 GFADRO C[C@@H]([NH2+]C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1)c1ccc(NC(=O)C2CC2)cc1 ZINC000820419550 606851763 /nfs/dbraw/zinc/85/17/63/606851763.db2.gz ICJMNIOFPXXYCT-BFUOFWGJSA-N 1 0 392.463 2.599 20 0 GFADRO C[C@@H]([NH2+]C[C@H](O)c1ccc(-c2nn[nH]n2)cc1)c1ccccc1OC(F)F ZINC000820419851 606851866 /nfs/dbraw/zinc/85/18/66/606851866.db2.gz KVWRXTNUOYFODL-ABAIWWIYSA-N 1 0 375.379 2.852 20 0 GFADRO CC1CCC(OC2CC[NH+](C[C@@H](O)c3ccc(-c4nn[nH]n4)cc3)CC2)CC1 ZINC000820690318 606860698 /nfs/dbraw/zinc/86/06/98/606860698.db2.gz JOSZBEHDLIGBEK-PKUWUEBNSA-N 1 0 385.512 2.960 20 0 GFADRO O[C@H](C[N@@H+]1CCC[C@@H]1c1cccc2c1OCCO2)c1ccc(-c2nn[nH]n2)cc1 ZINC000823681572 606893777 /nfs/dbraw/zinc/89/37/77/606893777.db2.gz GWOZOAGVCJGXFF-QZTJIDSGSA-N 1 0 393.447 2.508 20 0 GFADRO CCc1nnc(NC[C@H](c2cccc(OC)c2)[NH+](C)C)c(-c2nn[nH]n2)c1CC ZINC000821535641 606909782 /nfs/dbraw/zinc/90/97/82/606909782.db2.gz MLSNTLFVDMKGOY-QGZVFWFLSA-N 1 0 396.499 2.505 20 0 GFADRO O[C@H](C[N@@H+]1CCn2cccc2[C@@H]1c1ccccc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823680938 606919774 /nfs/dbraw/zinc/91/97/74/606919774.db2.gz BKBRHDIEWWUHDS-RTWAWAEBSA-N 1 0 386.459 2.807 20 0 GFADRO COCCC[NH+]1CCC(Nc2ccc(C(F)(F)F)cc2-c2nn[nH]n2)CC1 ZINC000821687801 606931067 /nfs/dbraw/zinc/93/10/67/606931067.db2.gz PJKIUMDXNUAQOH-UHFFFAOYSA-N 1 0 384.406 2.798 20 0 GFADRO O=C(CC[N@@H+]1CCOC2(C1)CCCCCC2)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000822969186 606934146 /nfs/dbraw/zinc/93/41/46/606934146.db2.gz JBYQHVLINDTTBA-UHFFFAOYSA-N 1 0 384.484 2.621 20 0 GFADRO COC(=O)[C@@H](C)C[N@H+](Cc1ccccc1)Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC000821639300 606968092 /nfs/dbraw/zinc/96/80/92/606968092.db2.gz USAFHJVRVOWFLN-AWEZNQCLSA-N 1 0 383.427 2.817 20 0 GFADRO CCCC1(C(=O)N2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)CCC1 ZINC000821026873 607023612 /nfs/dbraw/zinc/02/36/12/607023612.db2.gz FSQFVFPTFZQZHZ-UHFFFAOYSA-N 1 0 382.512 2.871 20 0 GFADRO CC(C)(Oc1ccc(-c2nn[nH]n2)cc1)C(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000819991965 607023804 /nfs/dbraw/zinc/02/38/04/607023804.db2.gz NKTBMZRPPHAPAH-KRWDZBQOSA-N 1 0 398.511 2.501 20 0 GFADRO c1ccc(C[N@@H+]2CCC[C@H]3CN(c4ccc(-c5nn[nH]n5)cn4)CC[C@H]32)cc1 ZINC000823779938 607031919 /nfs/dbraw/zinc/03/19/19/607031919.db2.gz LPKKTNWNHLDKKV-RBUKOAKNSA-N 1 0 375.480 2.753 20 0 GFADRO c1ccc2c(c1)CCC[C@@H]2[NH2+]C1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1 ZINC000823797451 607048900 /nfs/dbraw/zinc/04/89/00/607048900.db2.gz PJWOFOBRXMUTBE-IBGZPJMESA-N 1 0 375.480 2.898 20 0 GFADRO CC(C)Oc1ccc(-c2nn[nH]n2)cc1NC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000820152047 607064434 /nfs/dbraw/zinc/06/44/34/607064434.db2.gz RXIJUZSYTFMRHL-NVXWUHKLSA-N 1 0 399.499 2.602 20 0 GFADRO C[C@@H](Cc1ccc(O)cc1)[N@H+](C)CCC(=O)Nc1sccc1-c1nn[nH]n1 ZINC000820301382 607077880 /nfs/dbraw/zinc/07/78/80/607077880.db2.gz WRRDBSPCRFIQJG-LBPRGKRZSA-N 1 0 386.481 2.525 20 0 GFADRO Cc1cccc([C@H]2CCC[N@@H+]2CCC(=O)Nc2cccc(-c3nn[nH]n3)c2)n1 ZINC000822299178 607105222 /nfs/dbraw/zinc/10/52/22/607105222.db2.gz AORUCOUQVXDDSE-GOSISDBHSA-N 1 0 377.452 2.736 20 0 GFADRO C[C@H]1C[NH+](CCCCNc2nc3ccccc3cc2-c2nn[nH]n2)C[C@H](C)O1 ZINC000820758713 607173765 /nfs/dbraw/zinc/17/37/65/607173765.db2.gz BVOKXAIQIMDYKW-GJZGRUSLSA-N 1 0 381.484 2.716 20 0 GFADRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)Nc2ccc(-c3nn[nH]n3)cc2Cl)C1 ZINC000820092845 607201498 /nfs/dbraw/zinc/20/14/98/607201498.db2.gz QIEAHIPJAMLULZ-LBPRGKRZSA-N 1 0 377.880 2.620 20 0 GFADRO O=C(Nc1ccc(-c2nn[nH]n2)cc1Cl)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000823313418 607202968 /nfs/dbraw/zinc/20/29/68/607202968.db2.gz ACHYBQCOUJDPKB-CYBMUJFWSA-N 1 0 375.864 2.612 20 0 GFADRO Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)COc1cccc(-c2nn[nH]n2)c1 ZINC000822237027 607228461 /nfs/dbraw/zinc/22/84/61/607228461.db2.gz AYNOKRCCPGVZHJ-UHFFFAOYSA-N 1 0 392.463 2.788 20 0 GFADRO OC[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)Cc1ccc(C(F)(F)F)cc1 ZINC000823706927 607230108 /nfs/dbraw/zinc/23/01/08/607230108.db2.gz RUHQUFJFVVHGJS-GFCCVEGCSA-N 1 0 397.426 2.888 20 0 GFADRO C[NH+](C)CCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)NCC1(C2CC2)CCC1 ZINC000825866487 607782235 /nfs/dbraw/zinc/78/22/35/607782235.db2.gz YVQMRDLGTPCCGU-UHFFFAOYSA-N 1 0 397.527 2.520 20 0 GFADRO CC1(c2ccccc2)CC[NH+](C[C@H](O)COc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000824844049 607800634 /nfs/dbraw/zinc/80/06/34/607800634.db2.gz NQQQEMYGCKLKOD-IBGZPJMESA-N 1 0 393.491 2.660 20 0 GFADRO CC[C@H]([NH2+]CCS(=O)(=O)c1cccc(-c2nn[nH]n2)c1)c1ccc(C)cc1 ZINC000825142932 607814639 /nfs/dbraw/zinc/81/46/39/607814639.db2.gz UGPBPMKLZQOTQA-SFHVURJKSA-N 1 0 385.493 2.690 20 0 GFADRO CCCN(CC[NH2+]Cc1ccc(OC)c(-c2nn[nH]n2)c1)C(=O)OC(C)(C)C ZINC000825313536 607820843 /nfs/dbraw/zinc/82/08/43/607820843.db2.gz IVTOCCUYVXPOIC-UHFFFAOYSA-N 1 0 390.488 2.612 20 0 GFADRO CC[N@@H+]1CCN(C(=O)c2cccc(Nc3ccc(-c4nn[nH]n4)cc3)c2)C[C@@H]1C ZINC000825458224 607825747 /nfs/dbraw/zinc/82/57/47/607825747.db2.gz ARFPIWKVNPRJEN-HNNXBMFYSA-N 1 0 391.479 2.777 20 0 GFADRO OC[C@H](C1CC1)[N@H+](CCOc1cccc(-c2nn[nH]n2)c1)Cc1ccccc1 ZINC000826507660 607858490 /nfs/dbraw/zinc/85/84/90/607858490.db2.gz SXOONKBCCNLEHY-HXUWFJFHSA-N 1 0 379.464 2.519 20 0 GFADRO C[N@@H+]1CC[C@H](NC(=O)CSc2ccc(-c3nn[nH]n3)cc2)[C@@H]1c1ccccc1 ZINC000826029218 608007676 /nfs/dbraw/zinc/00/76/76/608007676.db2.gz QTFOZJOULXRCPS-HKUYNNGSSA-N 1 0 394.504 2.520 20 0 GFADRO C[N@H+](CCC(=O)Nc1sc2c(c1-c1nn[nH]n1)CCCC2)[C@@H]1CCSC1 ZINC000825915288 608033777 /nfs/dbraw/zinc/03/37/77/608033777.db2.gz WTFGSGQOJKJVLA-LLVKDONJSA-N 1 0 392.554 2.573 20 0 GFADRO Cc1cc2c(ncnc2N2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)s1 ZINC000826273202 608047293 /nfs/dbraw/zinc/04/72/93/608047293.db2.gz UGHSBBNEHREUCO-UHFFFAOYSA-N 1 0 392.492 2.502 20 0 GFADRO c1ccc(CSCCC[NH+]2CCN(c3ncccc3-c3nn[nH]n3)CC2)cc1 ZINC000826522116 608061590 /nfs/dbraw/zinc/06/15/90/608061590.db2.gz MLRKEYMMOUPTEW-UHFFFAOYSA-N 1 0 395.536 2.707 20 0 GFADRO c1ccc(C[N@@H+]2CCC3(C2)CCN(c2cccc(-c4nn[nH]n4)n2)CC3)cc1 ZINC000826521327 608099179 /nfs/dbraw/zinc/09/91/79/608099179.db2.gz IIOYLBBEAXIHEN-UHFFFAOYSA-N 1 0 375.480 2.754 20 0 GFADRO O=C1[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CCN1c1ccc(Cl)c(F)c1 ZINC000826476933 608110595 /nfs/dbraw/zinc/11/05/95/608110595.db2.gz SCXRWDHORQSKTR-INIZCTEOSA-N 1 0 386.818 2.554 20 0 GFADRO O=C1[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CCN1c1ccc(Cl)c(F)c1 ZINC000826476934 608110619 /nfs/dbraw/zinc/11/06/19/608110619.db2.gz SCXRWDHORQSKTR-MRXNPFEDSA-N 1 0 386.818 2.554 20 0 GFADRO C[C@H](C[N@H+](C)[C@@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O)c1nccs1 ZINC000824413467 608132822 /nfs/dbraw/zinc/13/28/22/608132822.db2.gz LTQPUHPUJQOTSZ-CZUORRHYSA-N 1 0 397.508 2.554 20 0 GFADRO C[C@]1([NH2+]Cc2ccc(-c3nn[nH]n3)cc2Br)CCO[C@H]1C1CC1 ZINC000824838300 608133069 /nfs/dbraw/zinc/13/30/69/608133069.db2.gz NSWWIPIXMYCPKW-HOCLYGCPSA-N 1 0 378.274 2.676 20 0 GFADRO C[NH+](C)CCN(Cc1ccc(-c2nn[nH]n2)cc1)c1ncnc2ccc(F)cc21 ZINC000825865982 608190515 /nfs/dbraw/zinc/19/05/15/608190515.db2.gz OFIMCKLFKBFFME-UHFFFAOYSA-N 1 0 392.442 2.517 20 0 GFADRO C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1C(=O)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000824977876 608264970 /nfs/dbraw/zinc/26/49/70/608264970.db2.gz SPDSKVZBVBWPRS-HZPDHXFCSA-N 1 0 391.479 2.993 20 0 GFADRO COc1cc(-c2nn[nH]n2)ccc1OCC[N@H+](Cc1ccccc1)[C@H](C)CCO ZINC000826175396 608268166 /nfs/dbraw/zinc/26/81/66/608268166.db2.gz CRJQSCZHTRQWON-MRXNPFEDSA-N 1 0 397.479 2.527 20 0 GFADRO Cc1cc(-c2nn[nH]n2)ccc1C(=O)OCC1CC[NH+](Cc2ccco2)CC1 ZINC000826252103 608276051 /nfs/dbraw/zinc/27/60/51/608276051.db2.gz OFZGPJRQKSQDDB-UHFFFAOYSA-N 1 0 381.436 2.837 20 0 GFADRO C[C@H]([NH2+][C@@H]1CC(=O)N(Cc2ccccc2)[C@@H]1C)c1ccc(-c2nn[nH]n2)cc1 ZINC000824540533 608279769 /nfs/dbraw/zinc/27/97/69/608279769.db2.gz ZSVRWYKUGBHIPS-QMTMVMCOSA-N 1 0 376.464 2.707 20 0 GFADRO CC[N@@H+]1C[C@H](C)N(C(=O)Nc2ccc(-c3nn[nH]n3)c(C(F)(F)F)c2)C[C@@H]1C ZINC000825443773 608304161 /nfs/dbraw/zinc/30/41/61/608304161.db2.gz FXRDRFHHFORCRH-QWRGUYRKSA-N 1 0 397.405 2.832 20 0 GFADRO C[C@H]([NH2+]Cc1cnc2ccc(-c3nn[nH]n3)cn12)[C@@H]1Oc2ccccc2[C@H]1C ZINC000824627258 608307752 /nfs/dbraw/zinc/30/77/52/608307752.db2.gz VMHHJRKHBNMSMG-QHRIQVFBSA-N 1 0 375.436 2.557 20 0 GFADRO O=C1C[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CN1c1ccc(Cl)c(F)c1 ZINC000826478674 608310115 /nfs/dbraw/zinc/31/01/15/608310115.db2.gz HPFMNYPTVZRPBU-ZDUSSCGKSA-N 1 0 386.818 2.554 20 0 GFADRO COCC[N@H+](Cc1c(-c2nn[nH]n2)c(C)nn1-c1ccccc1)C1CCCC1 ZINC000826158134 608310305 /nfs/dbraw/zinc/31/03/05/608310305.db2.gz BMMWKDGJTQTRMJ-UHFFFAOYSA-N 1 0 381.484 2.752 20 0 GFADRO O[C@H](C[N@H+]1CC=C(c2ccc(Cl)nc2)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000826503101 608324843 /nfs/dbraw/zinc/32/48/43/608324843.db2.gz QMIFIBDAZASPGG-QGZVFWFLSA-N 1 0 382.855 2.738 20 0 GFADRO C[N@@H+]1CCCC[C@H]1C(=O)NCc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000826034436 608327570 /nfs/dbraw/zinc/32/75/70/608327570.db2.gz QRETVNGFRUDOIQ-IBGZPJMESA-N 1 0 376.464 2.634 20 0 GFADRO CC1(C)c2ccccc2CC[N@H+]1CCC(=O)Nc1ccccc1-c1nn[nH]n1 ZINC000824819055 608331178 /nfs/dbraw/zinc/33/11/78/608331178.db2.gz XENMTJWLGMBCSN-UHFFFAOYSA-N 1 0 376.464 2.989 20 0 GFADRO COc1cc(-c2nn[nH]n2)ccc1C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000826168841 608353032 /nfs/dbraw/zinc/35/30/32/608353032.db2.gz ADCLCBKWUJCVSG-QGZVFWFLSA-N 1 0 393.447 2.984 20 0 GFADRO COc1cc(-c2nn[nH]n2)ccc1CN1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000826169517 608358488 /nfs/dbraw/zinc/35/84/88/608358488.db2.gz VXRSCKMJIXGJSE-KRWDZBQOSA-N 1 0 384.528 2.963 20 0 GFADRO COc1cc(-c2nn[nH]n2)ccc1C[NH+]1CCC2(CC1)OCc1ccccc12 ZINC000826169603 608369136 /nfs/dbraw/zinc/36/91/36/608369136.db2.gz YDAHGWBKFRTBTD-UHFFFAOYSA-N 1 0 377.448 2.897 20 0 GFADRO COc1cc(-c2nn[nH]n2)ccc1C[NH+]1CCC(NC(=O)C2CCCCC2)CC1 ZINC000826168229 608370648 /nfs/dbraw/zinc/37/06/48/608370648.db2.gz GPBAWFXUDLDXLK-UHFFFAOYSA-N 1 0 398.511 2.536 20 0 GFADRO COc1ccc(C2([NH2+]Cc3cccc(-c4nn[nH]n4)c3F)CCOCC2)cc1 ZINC000826190140 608404399 /nfs/dbraw/zinc/40/43/99/608404399.db2.gz QSQKJPTUNJMHKB-UHFFFAOYSA-N 1 0 383.427 2.810 20 0 GFADRO C[C@H]([NH2+]CCCOc1ccc(-c2nn[nH]n2)cc1)c1ccc(-n2cncn2)cc1 ZINC000824590326 608427347 /nfs/dbraw/zinc/42/73/47/608427347.db2.gz BKBBDDWMLIHBAN-HNNXBMFYSA-N 1 0 390.451 2.567 20 0 GFADRO COc1ccc([C@H](C)[NH2+]CCOc2ccc(-c3nn[nH]n3)cc2OC)cc1F ZINC000826188516 608428352 /nfs/dbraw/zinc/42/83/52/608428352.db2.gz ZDPGUZFJEDWYKH-LBPRGKRZSA-N 1 0 387.415 2.753 20 0 GFADRO CCC1(CNc2ccc(-c3nn[nH]n3)nn2)CC[NH+](Cc2ccccc2)CC1 ZINC000825170577 608437066 /nfs/dbraw/zinc/43/70/66/608437066.db2.gz CMIWCRBXGFRNLD-UHFFFAOYSA-N 1 0 378.484 2.761 20 0 GFADRO CCOc1ccccc1[C@H](C)[NH2+]CCC(=O)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000825654045 608438465 /nfs/dbraw/zinc/43/84/65/608438465.db2.gz NDPKIYIPRVMVLO-AWEZNQCLSA-N 1 0 380.452 2.945 20 0 GFADRO Cc1ccc(CN(C(=O)C[NH2+][C@H](C)c2ccc(-c3nn[nH]n3)cc2)C2CC2)o1 ZINC000826287336 608460640 /nfs/dbraw/zinc/46/06/40/608460640.db2.gz KQTRZABDZSSLSE-CQSZACIVSA-N 1 0 380.452 2.610 20 0 GFADRO C[C@H]([NH2+]CC(=O)Nc1ccc(N2CCCC2)cc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824564423 608460814 /nfs/dbraw/zinc/46/08/14/608460814.db2.gz SYPIHSPNWCQHCE-HNNXBMFYSA-N 1 0 391.479 2.756 20 0 GFADRO C[C@H]([NH2+]CC(=O)NC12CC3CC(CC(C3)C1)C2)c1ccc(-c2nn[nH]n2)cc1 ZINC000824553846 608463678 /nfs/dbraw/zinc/46/36/78/608463678.db2.gz IVFGOFYKYLKPQQ-JHMRYYBSSA-N 1 0 380.496 2.602 20 0 GFADRO Cc1ccc(SCCNC(=O)C[NH2+][C@H](C)c2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000826293015 608466121 /nfs/dbraw/zinc/46/61/21/608466121.db2.gz XBDWMZNJIDQQAR-OAHLLOKOSA-N 1 0 396.520 2.734 20 0 GFADRO CC(=O)c1ccccc1NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000824029097 608468392 /nfs/dbraw/zinc/46/83/92/608468392.db2.gz CTKQOHUTYQDTIT-OLZOCXBDSA-N 1 0 378.436 2.747 20 0 GFADRO C[C@@H]([NH2+]CCOc1ccccc1-c1nn[nH]n1)c1cccc(N2CCOC2=O)c1 ZINC000824599748 608474354 /nfs/dbraw/zinc/47/43/54/608474354.db2.gz RLVZFVJHGIPJCK-CQSZACIVSA-N 1 0 394.435 2.553 20 0 GFADRO COc1ccc(-c2nn[nH]n2)cc1C[NH2+][C@@H](C)c1ccc(N2CCOC2=O)cc1 ZINC000826184155 608475315 /nfs/dbraw/zinc/47/53/15/608475315.db2.gz MSWUVEBXPMUKOE-ZDUSSCGKSA-N 1 0 394.435 2.683 20 0 GFADRO C[C@@H]([NH2+][C@H](C)c1cccc(O)c1)C(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2 ZINC000824529112 608475497 /nfs/dbraw/zinc/47/54/97/608475497.db2.gz DVPKHHZLPYUCON-GHMZBOCLSA-N 1 0 398.492 2.800 20 0 GFADRO C[C@H]([NH2+]Cc1ccc(F)cc1-c1nn[nH]n1)c1ccc(N2CCCC2=O)cc1 ZINC000824612668 608476101 /nfs/dbraw/zinc/47/61/01/608476101.db2.gz OLYOYALBAXNQMH-ZDUSSCGKSA-N 1 0 380.427 2.983 20 0 GFADRO Cc1oc(NC(=O)C[NH2+][C@H](C)C(C)(C)c2ccccc2)c(-c2nn[nH]n2)c1C ZINC000826341653 608478143 /nfs/dbraw/zinc/47/81/43/608478143.db2.gz MRXGGMMRBPZZLL-CQSZACIVSA-N 1 0 382.468 2.971 20 0 GFADRO C[C@@H]([NH2+]CC(=O)N(C)[C@@H](C)c1ccc(F)cc1)c1cccc(-c2nn[nH]n2)c1 ZINC000824553706 608482037 /nfs/dbraw/zinc/48/20/37/608482037.db2.gz FYLISYNOYFECIQ-KGLIPLIRSA-N 1 0 382.443 2.876 20 0 GFADRO CCOc1ccc(CN(C)C(=O)C[NH2+][C@@H](C)c2cccc(-c3nn[nH]n3)c2)cc1 ZINC000825638419 608482275 /nfs/dbraw/zinc/48/22/75/608482275.db2.gz KZLIZVHVJCSJLV-HNNXBMFYSA-N 1 0 394.479 2.575 20 0 GFADRO C[C@@H]([NH2+]CC(=O)Nc1nc2ccccc2s1)c1cccc(-c2nn[nH]n2)c1 ZINC000824564871 608484250 /nfs/dbraw/zinc/48/42/50/608484250.db2.gz XLRHQAGRLQLJIP-LLVKDONJSA-N 1 0 379.449 2.766 20 0 GFADRO CC[C@@H]([NH2+][C@H](C)c1cccc(-c2nn[nH]n2)c1)C(=O)Nc1ccc(OC)cc1 ZINC000825139172 608486392 /nfs/dbraw/zinc/48/63/92/608486392.db2.gz CPWOMYLCAOAQEK-FZKQIMNGSA-N 1 0 380.452 2.943 20 0 GFADRO C[C@H]([NH2+]CC(=O)NCCc1ccc(Cl)cc1)c1cccc(-c2nn[nH]n2)c1 ZINC000824562015 608489234 /nfs/dbraw/zinc/48/92/34/608489234.db2.gz AUXRMSODLNECSY-ZDUSSCGKSA-N 1 0 384.871 2.530 20 0 GFADRO C[C@H]([NH2+]CC(=O)N(C)Cc1ccc(Cl)s1)c1cccc(-c2nn[nH]n2)c1 ZINC000824554001 608492053 /nfs/dbraw/zinc/49/20/53/608492053.db2.gz LJHMQLIXUDNXRM-NSHDSACASA-N 1 0 390.900 2.891 20 0 GFADRO CC(C)CC(=O)N1CCC([NH2+][C@H]2CCCc3cc(-c4nn[nH]n4)ccc32)CC1 ZINC000824228801 608505002 /nfs/dbraw/zinc/50/50/02/608505002.db2.gz LGQKHIOWKBAZSW-IBGZPJMESA-N 1 0 382.512 2.871 20 0 GFADRO OC[C@@H](Cc1c[nH]c2ccccc12)[NH2+][C@@H]1CCCc2cc(-c3nn[nH]n3)ccc21 ZINC000826507759 608513194 /nfs/dbraw/zinc/51/31/94/608513194.db2.gz WACPMHQOOUGPAZ-DYESRHJHSA-N 1 0 388.475 2.919 20 0 GFADRO COc1cc(-c2nn[nH]n2)ccc1C[NH2+][C@@H](C)c1cccc(-n2cccn2)c1 ZINC000826170310 608527624 /nfs/dbraw/zinc/52/76/24/608527624.db2.gz WCWYRRJNJZTRBJ-AWEZNQCLSA-N 1 0 375.436 2.912 20 0 GFADRO Cc1cccc(C)c1OC[C@H](O)C[NH2+]C1(c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000826296532 608530883 /nfs/dbraw/zinc/53/08/83/608530883.db2.gz AKHGLFKBZFPXEH-GOSISDBHSA-N 1 0 379.464 2.502 20 0 GFADRO O[C@@H](C[NH2+]C1(c2cccc(-c3nn[nH]n3)c2)CC1)COc1ccc(Cl)cc1 ZINC000826502594 608531772 /nfs/dbraw/zinc/53/17/72/608531772.db2.gz GTWHKFBROYDZDU-INIZCTEOSA-N 1 0 385.855 2.539 20 0 GFADRO CC[C@H]1Oc2cc([C@@H](C)[NH2+]Cc3ccc(F)c(-c4nn[nH]n4)c3)ccc2NC1=O ZINC000825219667 608538282 /nfs/dbraw/zinc/53/82/82/608538282.db2.gz LITRLXZYTKJROV-PIGZYNQJSA-N 1 0 396.426 2.966 20 0 GFADRO C[NH+]1CCC2(CCCN2C(=O)Nc2cc(-c3nn[nH]n3)cn2C(C)(C)C)CC1 ZINC000826030022 608544276 /nfs/dbraw/zinc/54/42/76/608544276.db2.gz ZTSKVECRJLJNQB-UHFFFAOYSA-N 1 0 386.504 2.515 20 0 GFADRO Cc1ccc(OC2CC[NH+](Cc3cnc4ccc(-c5nn[nH]n5)cn34)CC2)cc1 ZINC000826292027 608559707 /nfs/dbraw/zinc/55/97/07/608559707.db2.gz FRRAXVXPFWNZNB-UHFFFAOYSA-N 1 0 389.463 2.866 20 0 GFADRO c1cn2c(cccc2C[NH+]2CCC(Oc3ccc(-c4nn[nH]n4)cc3)CC2)n1 ZINC000826516037 608583077 /nfs/dbraw/zinc/58/30/77/608583077.db2.gz VEZMXYHGSFDPDS-UHFFFAOYSA-N 1 0 375.436 2.558 20 0 GFADRO CC1(C)CC[C@@H](NC(=O)N2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC000824801703 608587417 /nfs/dbraw/zinc/58/74/17/608587417.db2.gz GVDVZUWQPNDIEZ-GOSISDBHSA-N 1 0 397.527 2.663 20 0 GFADRO Fc1cccc(N2CC[NH+](Cc3cccc4[nH]ccc43)CC2)c1-c1nn[nH]n1 ZINC000826377149 608595881 /nfs/dbraw/zinc/59/58/81/608595881.db2.gz GYMCBHVCUQWGKK-UHFFFAOYSA-N 1 0 377.427 2.809 20 0 GFADRO Fc1cccc(N2CC[NH+](Cc3cnc4ccccc4c3)CC2)c1-c1nn[nH]n1 ZINC000826377140 608596402 /nfs/dbraw/zinc/59/64/02/608596402.db2.gz GRPVYHJJGNTNDX-UHFFFAOYSA-N 1 0 389.438 2.876 20 0 GFADRO COCC[N@H+](CCCc1ccccc1)Cc1cnc2ccc(-c3nn[nH]n3)cn12 ZINC000826158366 608635354 /nfs/dbraw/zinc/63/53/54/608635354.db2.gz MKDDFLHMNCXXPX-UHFFFAOYSA-N 1 0 391.479 2.596 20 0 GFADRO COc1ccc(C[C@@H](C)C[N@H+](C)Cc2cnc3ccc(-c4nn[nH]n4)cn23)cc1 ZINC000826191652 608740713 /nfs/dbraw/zinc/74/07/13/608740713.db2.gz MEHYPMXYSWMVRQ-OAHLLOKOSA-N 1 0 391.479 2.834 20 0 GFADRO CC1CC[NH+](CCc2cccc(NC(=O)c3ccc(-c4nn[nH]n4)cn3)c2)CC1 ZINC000824956545 608763985 /nfs/dbraw/zinc/76/39/85/608763985.db2.gz SRECJQPWCXGTDO-UHFFFAOYSA-N 1 0 391.479 2.788 20 0 GFADRO c1ccc(C[N@@H+]2CCC[C@@]3(CCN(c4cnccc4-c4nn[nH]n4)C3)C2)cc1 ZINC000826521606 608790994 /nfs/dbraw/zinc/79/09/94/608790994.db2.gz SAVRILALMILWMN-OAQYLSRUSA-N 1 0 375.480 2.754 20 0 GFADRO CCO[C@H]1C[C@H]([N@H+](C)Cc2cnc3ccc(-c4nn[nH]n4)cn23)C1(CC)CC ZINC000825581931 608830029 /nfs/dbraw/zinc/83/00/29/608830029.db2.gz GLSSGTCKPSGOCK-IRXDYDNUSA-N 1 0 383.500 2.930 20 0 GFADRO C[C@H]1CC[C@@H](C(F)(F)F)C[N@@H+]1CCC(=O)Nc1ccccc1-c1nn[nH]n1 ZINC000824906150 609148469 /nfs/dbraw/zinc/14/84/69/609148469.db2.gz AJZQUOQCLJKMMP-NWDGAFQWSA-N 1 0 382.390 2.858 20 0 GFADRO C[C@@H]([NH2+]CC1(N2CCCCC2)CCOCC1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824578351 609150920 /nfs/dbraw/zinc/15/09/20/609150920.db2.gz SUDPZSZIDHECOD-OAHLLOKOSA-N 1 0 388.491 2.692 20 0 GFADRO Cc1ccc(N2CC[C@H]([NH2+][C@H](C)c3ccc(-c4nn[nH]n4)c(F)c3)C2=O)cc1 ZINC000826289548 609152221 /nfs/dbraw/zinc/15/22/21/609152221.db2.gz FINOLEBYLFPCDV-ACJLOTCBSA-N 1 0 380.427 2.770 20 0 GFADRO C[C@@H]([NH2+][C@H]1CCCN(c2ccccc2F)C1=O)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824548752 609154269 /nfs/dbraw/zinc/15/42/69/609154269.db2.gz ZHGCFZKFNFEBIB-PXAZEXFGSA-N 1 0 398.417 2.991 20 0 GFADRO c1cn(C[N@@H+]2CCC[C@@H]2C2CCOCC2)nc1-c1ccc(-c2nn[nH]n2)cc1 ZINC000826513809 609161930 /nfs/dbraw/zinc/16/19/30/609161930.db2.gz WNEQZWRIHHVSFO-LJQANCHMSA-N 1 0 379.468 2.579 20 0 GFADRO Cc1ccccc1C[C@H](C)[NH2+][C@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000826306888 609169288 /nfs/dbraw/zinc/16/92/88/609169288.db2.gz OYMDMBVEPOHODD-JXFKEZNVSA-N 1 0 390.491 2.891 20 0 GFADRO Cc1ccccc1C[C@H](C)[NH2+][C@@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000826306889 609169385 /nfs/dbraw/zinc/16/93/85/609169385.db2.gz OYMDMBVEPOHODD-OXJNMPFZSA-N 1 0 390.491 2.891 20 0 GFADRO C[C@@H](O)[C@H]1CC[N@H+](Cc2cccc(OCc3ccccc3-c3nn[nH]n3)c2)C1 ZINC000824687948 609175653 /nfs/dbraw/zinc/17/56/53/609175653.db2.gz HOKPRQWHGNYMIG-WBVHZDCISA-N 1 0 379.464 2.648 20 0 GFADRO C[C@@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)cn1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824655892 609251434 /nfs/dbraw/zinc/25/14/34/609251434.db2.gz GRDRTCIGWJWUPJ-RDTXWAMCSA-N 1 0 378.484 2.575 20 0 GFADRO C[C@@H](NC(=O)c1ccccc1-c1ccccc1-c1nn[nH]n1)C1=CC[N@H+](C)CC1 ZINC000824523256 609285748 /nfs/dbraw/zinc/28/57/48/609285748.db2.gz YTCBYDWYCHSGEQ-OAHLLOKOSA-N 1 0 388.475 2.914 20 0 GFADRO COc1cccc([C@H]2[C@H](Nc3ccc(-c4nn[nH]n4)cn3)CC[N@@H+]2C2CC2)c1 ZINC000826215743 609322837 /nfs/dbraw/zinc/32/28/37/609322837.db2.gz XUDUMMKWNATZAH-MJGOQNOKSA-N 1 0 377.452 2.660 20 0 GFADRO C[C@@H]([NH2+]CC(C)(C)N1C[C@@H](C)O[C@@H](C)C1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824977578 609325145 /nfs/dbraw/zinc/32/51/45/609325145.db2.gz RDFMACHIXDWPNJ-HZSPNIEDSA-N 1 0 376.480 2.544 20 0 GFADRO Cc1ccc(C(=O)NCC[NH2+][C@@H](C)c2ccc(-c3nn[nH]n3)cc2F)cc1F ZINC000826281886 609327360 /nfs/dbraw/zinc/32/73/60/609327360.db2.gz OCBMGEARUVZQCT-LBPRGKRZSA-N 1 0 386.406 2.534 20 0 GFADRO C[C@@H]([NH2+][C@@H](C)c1ccc(-c2nn[nH]n2)cc1F)c1ccc2c(c1)CC(=O)N2C ZINC000824530238 609332880 /nfs/dbraw/zinc/33/28/80/609332880.db2.gz KIAPWPGDQWPKFR-NEPJUHHUSA-N 1 0 380.427 2.937 20 0 GFADRO CCOCCC[N@@H+]1CC[C@H](N[C@H](C)c2ccc(-c3nn[nH]n3)cc2F)[C@H](C)C1 ZINC000825594221 609336358 /nfs/dbraw/zinc/33/63/58/609336358.db2.gz JFOPYYLWNIQMMP-CLCXKQKWSA-N 1 0 390.507 2.793 20 0 GFADRO C[C@@H]([NH2+]CCc1cccc(C(=O)N(C)C)c1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824605562 609337241 /nfs/dbraw/zinc/33/72/41/609337241.db2.gz KFURGEURYWVRFY-CYBMUJFWSA-N 1 0 382.443 2.601 20 0 GFADRO C[C@H]([NH2+]CCCN(C(=O)C1CCC1)C1CC1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824584867 609340909 /nfs/dbraw/zinc/34/09/09/609340909.db2.gz INHFPKZPODMPSK-ZDUSSCGKSA-N 1 0 386.475 2.838 20 0 GFADRO CCc1cc(N2CCC[C@H]([NH2+][C@H](C)c3ccc(-c4nn[nH]n4)cc3F)C2)ncn1 ZINC000825700806 609341594 /nfs/dbraw/zinc/34/15/94/609341594.db2.gz UDYLRSKYZIYYCZ-CJNGLKHVSA-N 1 0 396.474 2.678 20 0 GFADRO Cn1cc(C[NH2+][C@@H]2CCOC3(CCCC3)C2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826361253 609343301 /nfs/dbraw/zinc/34/33/01/609343301.db2.gz QUHRBKFYHSQKAY-GOSISDBHSA-N 1 0 393.495 2.849 20 0 GFADRO C[C@H]([NH2+][C@@H](C)c1ccc(-c2nn[nH]n2)cc1F)c1ccc(-n2ccnn2)cc1 ZINC000824531678 609344902 /nfs/dbraw/zinc/34/49/02/609344902.db2.gz QBLWTKBIUXFPJC-STQMWFEESA-N 1 0 378.415 2.998 20 0 GFADRO COc1cccc([C@H]2[C@@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)CCN2C2CC2)c1 ZINC000826215270 609346668 /nfs/dbraw/zinc/34/66/68/609346668.db2.gz KITZQKVYKZHMNC-SFTDATJTSA-N 1 0 390.491 2.943 20 0 GFADRO C[C@H]([NH2+]C[C@@H]1COC2(CCC(C)CC2)O1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824915747 609347780 /nfs/dbraw/zinc/34/77/80/609347780.db2.gz IAIVVLXAKYOZCG-NWGJFKLVSA-N 1 0 375.448 2.978 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)Cc2ccc(-c3nn[nH]n3)cc2Br)[C@@H](C)C1 ZINC000825452862 609366647 /nfs/dbraw/zinc/36/66/47/609366647.db2.gz RPEGFSXGQMFVCL-BLLLJJGKSA-N 1 0 393.333 2.791 20 0 GFADRO C[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1Br)C[C@H]1CCCC[C@@H]1O ZINC000825961551 609377030 /nfs/dbraw/zinc/37/70/30/609377030.db2.gz IAMTTWMNHXIKSJ-HIFRSBDPSA-N 1 0 380.290 2.612 20 0 GFADRO COc1ccccc1[C@@H](C)[NH2+][C@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000826218776 609409138 /nfs/dbraw/zinc/40/91/38/609409138.db2.gz KTKATJGWDXDUHS-KDOFPFPSSA-N 1 0 392.463 2.722 20 0 GFADRO C[C@H](CCc1ccccc1)[NH2+][C@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000824406583 609410634 /nfs/dbraw/zinc/41/06/34/609410634.db2.gz NHYARGTUANETHZ-UZLBHIALSA-N 1 0 390.491 2.973 20 0 GFADRO C[C@H](NC(=O)c1cccc(-c2nn[nH]n2)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000824522719 609456493 /nfs/dbraw/zinc/45/64/93/609456493.db2.gz UWDVLEGZKRRZNZ-HNAYVOBHSA-N 1 0 376.464 2.507 20 0 GFADRO CCOCCC[N@@H+]1CC[C@H](Nc2ncc(Cl)c(C)c2-c2nn[nH]n2)[C@@H](C)C1 ZINC000825593858 609554852 /nfs/dbraw/zinc/55/48/52/609554852.db2.gz FSIXMGUDGDXRMB-WFASDCNBSA-N 1 0 393.923 2.772 20 0 GFADRO Cc1cc(C)cc(C[NH2+][C@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)c1 ZINC000826264615 609600309 /nfs/dbraw/zinc/60/03/09/609600309.db2.gz UHUMDKITAIASEY-IBGZPJMESA-N 1 0 376.464 2.769 20 0 GFADRO COCCN(CC[NH+](C)C)C(=O)Nc1nnc(-c2cccc(Cl)c2)s1 ZINC000481532413 650648304 /nfs/dbraw/zinc/64/83/04/650648304.db2.gz JLSSOCXSAJFXLO-UHFFFAOYSA-N 1 0 383.905 2.900 20 0 GFADRO CC(=O)N[C@H]1CC[N@H+](C[C@@](C)(O)c2ccc(Br)cc2Cl)C1 ZINC000817281229 660188879 /nfs/dbraw/zinc/18/88/79/660188879.db2.gz RZVQYEGIEIPQRP-SWLSCSKDSA-N 1 0 375.694 2.520 20 0 GFADRO CC(=O)N/C(=C/c1cccs1)C(=O)N(CC[NH+](C)C)Cc1cccs1 ZINC000817543479 660199885 /nfs/dbraw/zinc/19/98/85/660199885.db2.gz RMGDMJILOHCVJT-SFQUDFHCSA-N 1 0 377.535 2.877 20 0 GFADRO OCCOC1(C[NH2+][C@H](c2nc(Br)cs2)C2CC2)CCOCC1 ZINC000817584557 660201721 /nfs/dbraw/zinc/20/17/21/660201721.db2.gz DBCHAEDKJXVEMX-ZDUSSCGKSA-N 1 0 391.331 2.504 20 0 GFADRO CCS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000818000092 660213205 /nfs/dbraw/zinc/21/32/05/660213205.db2.gz FUAQYTPLRNIGMM-CXAGYDPISA-N 1 0 384.929 2.738 20 0 GFADRO CC(C)C[C@@H](C[NH3+])NC(=O)c1ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c1 ZINC000818554969 660228589 /nfs/dbraw/zinc/22/85/89/660228589.db2.gz FGDYXEYRTFDFPB-ZDUSSCGKSA-N 1 0 389.949 2.520 20 0 GFADRO Cn1c(C(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)ccc1-c1ccccc1Br ZINC000818603996 660229949 /nfs/dbraw/zinc/22/99/49/660229949.db2.gz XCUMVYOFVFBNLS-RYUDHWBXSA-N 1 0 380.261 2.884 20 0 GFADRO Cc1cc(F)ccc1[C@@H](O)C[NH2+]CCNC(=O)c1ccc(Br)cc1 ZINC000818973315 660239774 /nfs/dbraw/zinc/23/97/74/660239774.db2.gz VBQHWGHKVACHHC-KRWDZBQOSA-N 1 0 395.272 2.950 20 0 GFADRO CC(C)N1C[C@H]([NH2+]C[C@](C)(O)c2ccc(Br)cc2Cl)CC1=O ZINC000818996475 660242438 /nfs/dbraw/zinc/24/24/38/660242438.db2.gz RFFXEPMSBJXROV-WBMJQRKESA-N 1 0 389.721 2.909 20 0 GFADRO O[C@H](C[NH2+]CC1(N2CCCC2)CCOCC1)c1cccc(Br)c1 ZINC000819021971 660243716 /nfs/dbraw/zinc/24/37/16/660243716.db2.gz XXAYGGLDNNOAJJ-QGZVFWFLSA-N 1 0 383.330 2.717 20 0 GFADRO CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+]C[C@H](O)c2ccc(F)c(Br)c2)C1 ZINC000819093987 660246356 /nfs/dbraw/zinc/24/63/56/660246356.db2.gz DPTKRWZNIITQDK-ZOWXZIJZSA-N 1 0 394.306 2.567 20 0 GFADRO COCCCN(C)CC[NH2+]C[C@](C)(O)c1ccc(Br)cc1Cl ZINC000819105577 660246773 /nfs/dbraw/zinc/24/67/73/660246773.db2.gz MSVQQBUUHBPEHJ-INIZCTEOSA-N 1 0 393.753 2.868 20 0 GFADRO CC(C)OC(=O)[C@@H](C)C[NH2+]C[C@](C)(O)c1ccc(Br)cc1F ZINC000819116059 660246944 /nfs/dbraw/zinc/24/69/44/660246944.db2.gz MNOGIWVLWQSZSL-ZBEGNZNMSA-N 1 0 376.266 2.973 20 0 GFADRO CC(C)(C)OC(=O)NC[C@](C)(O)C[NH2+]Cc1ccc(O)c(Br)c1 ZINC000819175871 660248896 /nfs/dbraw/zinc/24/88/96/660248896.db2.gz CIZXFFOKSBQGFQ-MRXNPFEDSA-N 1 0 389.290 2.520 20 0 GFADRO C[NH+]1CCN(c2ccc(Br)cc2NC(=O)/C=C\[C@H]2CCCO2)CC1 ZINC000819186306 660249212 /nfs/dbraw/zinc/24/92/12/660249212.db2.gz XVCJJHUCXVYZLC-ZQMJAJRESA-N 1 0 394.313 2.875 20 0 GFADRO CCNC(=O)C(C)(C)C[NH2+]C[C@@](C)(O)c1ccc(Br)cc1F ZINC000819181958 660249321 /nfs/dbraw/zinc/24/93/21/660249321.db2.gz FFNVIEJHWRFBDR-MRXNPFEDSA-N 1 0 375.282 2.548 20 0 GFADRO CC(C)C(=O)NCCC[NH2+]C[C@@](C)(O)c1ccc(Br)cc1F ZINC000819189428 660249576 /nfs/dbraw/zinc/24/95/76/660249576.db2.gz RVLLCBCKIOSSME-MRXNPFEDSA-N 1 0 375.282 2.548 20 0 GFADRO CC(C)(C)c1nc(CC[NH2+]C[C@@H](O)c2ccc(S(C)(=O)=O)cc2)cs1 ZINC000819197875 660249866 /nfs/dbraw/zinc/24/98/66/660249866.db2.gz MZPGZDWDPDYFKY-MRXNPFEDSA-N 1 0 382.551 2.710 20 0 GFADRO O[C@H](C[NH2+]C1CCN(c2cccnn2)CC1)c1cccc(Br)c1 ZINC000819264056 660252783 /nfs/dbraw/zinc/25/27/83/660252783.db2.gz JLGHXBKIUBXZLS-MRXNPFEDSA-N 1 0 377.286 2.531 20 0 GFADRO O[C@H](C[NH2+][C@H]1CCN(c2cccc(Br)c2)C1)c1ccc(F)cn1 ZINC000819270018 660253137 /nfs/dbraw/zinc/25/31/37/660253137.db2.gz RZHCLHJKXMWLDZ-WMLDXEAASA-N 1 0 380.261 2.885 20 0 GFADRO Cn1ccnc1[C@@H]1C[C@@H]([NH2+]C[C@@H](O)c2ccc(F)c(Br)c2)CCO1 ZINC000819362006 660256978 /nfs/dbraw/zinc/25/69/78/660256978.db2.gz SJRVOQDGVUMMHE-MAZHCROVSA-N 1 0 398.276 2.865 20 0 GFADRO COCC1(C[NH2+]C[C@H](O)c2ccc(F)c(Br)c2)CCOCC1 ZINC000819325955 660254879 /nfs/dbraw/zinc/25/48/79/660254879.db2.gz IXBMHPHHBCWBMC-HNNXBMFYSA-N 1 0 376.266 2.654 20 0 GFADRO COCC1(C[NH2+]C[C@@H](O)c2ccc(F)c(Br)c2)CCOCC1 ZINC000819325956 660254904 /nfs/dbraw/zinc/25/49/04/660254904.db2.gz IXBMHPHHBCWBMC-OAHLLOKOSA-N 1 0 376.266 2.654 20 0 GFADRO Cc1cc(C[NH2+]C[C@H](O)c2ccccc2Br)nc(N2CCCC2)n1 ZINC000819328108 660255056 /nfs/dbraw/zinc/25/50/56/660255056.db2.gz CQIKWSWYCTZHER-KRWDZBQOSA-N 1 0 391.313 2.971 20 0 GFADRO O=S1(=O)C[C@H](C[NH2+]C[C@@H](O)c2cccc(Br)c2)c2ccccc21 ZINC000819336302 660255529 /nfs/dbraw/zinc/25/55/29/660255529.db2.gz FFRZEYSEHFKRDS-XJKSGUPXSA-N 1 0 396.306 2.643 20 0 GFADRO CN(C[C@@H](O)C[NH2+]CCOc1ccc(Cl)c(F)c1)C(=O)OC(C)(C)C ZINC000819346354 660255961 /nfs/dbraw/zinc/25/59/61/660255961.db2.gz YDSMQKPXSKBCPR-LBPRGKRZSA-N 1 0 376.856 2.675 20 0 GFADRO C[NH+](C)C1CC(NC(=O)C2(c3ccc(Br)cc3)CCOCC2)C1 ZINC000819680884 660266831 /nfs/dbraw/zinc/26/68/31/660266831.db2.gz RSTWQGYNCCIRJR-UHFFFAOYSA-N 1 0 381.314 2.706 20 0 GFADRO C[C@H]([NH2+]C1(CNC(=O)C2(Br)CC2)CCOCC1)c1ccccc1 ZINC000819987560 660277516 /nfs/dbraw/zinc/27/75/16/660277516.db2.gz ZQVARWCCDSOQSK-AWEZNQCLSA-N 1 0 381.314 2.930 20 0 GFADRO Cc1cc(I)cc(C(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)c1 ZINC000820343231 660290067 /nfs/dbraw/zinc/29/00/67/660290067.db2.gz SDMKAWPNIQDTHF-INIZCTEOSA-N 1 0 384.261 2.767 20 0 GFADRO CC[C@H](C)[N@H+](C)CCNS(=O)(=O)c1cnc(Cl)c(Br)c1 ZINC000820790300 660306279 /nfs/dbraw/zinc/30/62/79/660306279.db2.gz FKEOLZFJDJBELI-VIFPVBQESA-N 1 0 384.727 2.506 20 0 GFADRO CCC[N@H+](CCn1cnc(Br)n1)[C@@H](C)C(=O)Nc1ccccc1 ZINC000821390509 660324076 /nfs/dbraw/zinc/32/40/76/660324076.db2.gz BGFKUARNJVFGHK-ZDUSSCGKSA-N 1 0 380.290 2.780 20 0 GFADRO Brc1ncn(CC[NH+]2CCC(c3nc4ccccc4[nH]3)CC2)n1 ZINC000821391396 660324176 /nfs/dbraw/zinc/32/41/76/660324176.db2.gz LANCSGUXWPSMHK-UHFFFAOYSA-N 1 0 375.274 2.797 20 0 GFADRO Cc1cc(Br)ncc1NC(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000821817544 660334639 /nfs/dbraw/zinc/33/46/39/660334639.db2.gz OMXZUDQSDXUYPE-ZDUSSCGKSA-N 1 0 383.290 2.527 20 0 GFADRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C[C@@H]2C(=O)Nc3ccc(Br)cc32)C1 ZINC000822150446 660340957 /nfs/dbraw/zinc/34/09/57/660340957.db2.gz FVFWFHFLMDXUFR-ZFWWWQNUSA-N 1 0 394.313 2.816 20 0 GFADRO C[NH+]1CCC(OCC(=O)N2CCC[C@@H]2c2ccc(Br)cn2)CC1 ZINC000822322360 660342910 /nfs/dbraw/zinc/34/29/10/660342910.db2.gz NWDIJZGTOLMLDR-MRXNPFEDSA-N 1 0 382.302 2.618 20 0 GFADRO Cc1cc(NC(=O)N2CCO[C@H](CCC[NH+](C)C)C2)cnc1Br ZINC000822493578 660346747 /nfs/dbraw/zinc/34/67/47/660346747.db2.gz YOFZSRBTOMLRNB-CQSZACIVSA-N 1 0 385.306 2.727 20 0 GFADRO CS(=O)(=O)C1(c2nc(Cc3ccc(Cl)cc3Cl)no2)CC[NH2+]CC1 ZINC000822644143 660350717 /nfs/dbraw/zinc/35/07/17/660350717.db2.gz NXVVHHINUKYULI-UHFFFAOYSA-N 1 0 390.292 2.591 20 0 GFADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1cc2c(ccc(F)c2Br)[nH]1 ZINC000822879465 660356587 /nfs/dbraw/zinc/35/65/87/660356587.db2.gz UBDUCQWYKWKBQT-QWRGUYRKSA-N 1 0 396.260 2.663 20 0 GFADRO Brc1cc(Cc2noc([C@@H]3C[C@H]4C[C@H]4[NH2+]3)n2)cc2c1OCCO2 ZINC000822947614 660358752 /nfs/dbraw/zinc/35/87/52/660358752.db2.gz WBXVZCXRJVWUFW-JLLWLGSASA-N 1 0 378.226 2.617 20 0 GFADRO CC[C@@H]1[NH2+]CC[C@H]1c1nc(CNC(=O)c2ccc(Br)cc2)no1 ZINC000823199810 660364749 /nfs/dbraw/zinc/36/47/49/660364749.db2.gz GVZVUWMQRCSJPV-OLZOCXBDSA-N 1 0 379.258 2.618 20 0 GFADRO O=C(c1ncc(Br)cn1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000823245467 660365993 /nfs/dbraw/zinc/36/59/93/660365993.db2.gz QLUAWUSMEVIWRC-GOEBONIOSA-N 1 0 387.281 2.586 20 0 GFADRO O=C(NC1CC[NH+](C[C@H]2CCCO2)CC1)[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC000823298889 660367882 /nfs/dbraw/zinc/36/78/82/660367882.db2.gz ZWZBSFBYVDFCDC-PBHICJAKSA-N 1 0 387.307 2.786 20 0 GFADRO Cc1cnc(Br)c(NC(=O)N[C@@H](C)CN(C)CCC[NH+](C)C)c1 ZINC000823491896 660373478 /nfs/dbraw/zinc/37/34/78/660373478.db2.gz ODFLAUYQYUEUBK-ZDUSSCGKSA-N 1 0 386.338 2.546 20 0 GFADRO O=S(=O)(N1CCC([NH2+][C@H]2CCCc3ccccc3C2)CC1)C(F)(F)F ZINC000824018784 660384074 /nfs/dbraw/zinc/38/40/74/660384074.db2.gz WTYIICNQVJQJJS-INIZCTEOSA-N 1 0 376.444 2.838 20 0 GFADRO O=C(N[C@H]1C[C@@H]([NH+]2CCCC2)C1)c1cnn(-c2ccccc2)c1Br ZINC000824106282 660385379 /nfs/dbraw/zinc/38/53/79/660385379.db2.gz HJUCDACSHZVXQH-OTVXOJSOSA-N 1 0 389.297 2.991 20 0 GFADRO CN1C(=O)CS/C1=C/C(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000824213262 660387269 /nfs/dbraw/zinc/38/72/69/660387269.db2.gz MCJAOVWGDLYNOJ-LDADJPATSA-N 1 0 377.535 2.860 20 0 GFADRO COc1cc(C[NH2+]C[C@]2(C)CC2(Cl)Cl)cc(Cl)c1OCC(N)=O ZINC000824765724 660401163 /nfs/dbraw/zinc/40/11/63/660401163.db2.gz OXZXLOGLHSHEIL-AWEZNQCLSA-N 1 0 381.687 2.886 20 0 GFADRO CCN(C(=O)c1cc2ccc(Br)cc2c(=O)o1)[C@@H]1CC[N@H+](C)C1 ZINC000824834982 660403402 /nfs/dbraw/zinc/40/34/02/660403402.db2.gz JNSAYQZYKGQYCT-CYBMUJFWSA-N 1 0 379.254 2.722 20 0 GFADRO Cn1c(C(=O)N[C@@]2(C)C[NH+]3CCC2CC3)cc2cc(Br)cnc21 ZINC000824894163 660404181 /nfs/dbraw/zinc/40/41/81/660404181.db2.gz GMDUUHFHEQEWPQ-KRWDZBQOSA-N 1 0 377.286 2.550 20 0 GFADRO CC(C)[C@H](CNC(=O)OC(C)(C)C)C[N@@H+]1CCCC[C@@H]1CS(C)(=O)=O ZINC000824913769 660404888 /nfs/dbraw/zinc/40/48/88/660404888.db2.gz FEBLNRNDKUAQKZ-HZPDHXFCSA-N 1 0 376.563 2.682 20 0 GFADRO CC(C)[C@@H](CNC(=O)OC(C)(C)C)C[N@@H+]1CCCC[C@H]1CS(C)(=O)=O ZINC000824913768 660404917 /nfs/dbraw/zinc/40/49/17/660404917.db2.gz FEBLNRNDKUAQKZ-HOTGVXAUSA-N 1 0 376.563 2.682 20 0 GFADRO CCn1nc(C)c(C[NH2+]C[C@@H](CO)Cc2ccc(C)c(Br)c2)n1 ZINC000825073049 660409567 /nfs/dbraw/zinc/40/95/67/660409567.db2.gz QDAVAODJNYREAJ-HNNXBMFYSA-N 1 0 381.318 2.618 20 0 GFADRO Cc1ccc(-n2nc(Br)cc2C(=O)N[C@H]2CC[NH2+]C2(C)C)cc1 ZINC000825263329 660417890 /nfs/dbraw/zinc/41/78/90/660417890.db2.gz PZTGHVJQJJITDW-AWEZNQCLSA-N 1 0 377.286 2.814 20 0 GFADRO COC(=O)COc1ccc(C[NH2+]C[C@@H](O)c2ccccc2Br)cc1 ZINC000825342804 660421968 /nfs/dbraw/zinc/42/19/68/660421968.db2.gz HAUIFTZXJAJQOI-QGZVFWFLSA-N 1 0 394.265 2.824 20 0 GFADRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2cc(Br)n(C)n2)C1 ZINC000825390022 660424611 /nfs/dbraw/zinc/42/46/11/660424611.db2.gz XMQFVRJEFVQOOG-GXTWGEPZSA-N 1 0 377.286 2.748 20 0 GFADRO Cc1ccc([C@H](CNC(=O)c2c(Br)nc3n2CCC3)[NH+](C)C)cc1 ZINC000825466483 660428835 /nfs/dbraw/zinc/42/88/35/660428835.db2.gz DWCNUFSNKZNINB-AWEZNQCLSA-N 1 0 391.313 2.933 20 0 GFADRO Cn1nc(C(=O)N(CC[NH+](C)C)Cc2cccc(F)c2)cc1Br ZINC000825481822 660429570 /nfs/dbraw/zinc/42/95/70/660429570.db2.gz VOCLPMBVJBEPLJ-UHFFFAOYSA-N 1 0 383.265 2.526 20 0 GFADRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1cc(Br)n(C)n1 ZINC000826671498 660460689 /nfs/dbraw/zinc/46/06/89/660460689.db2.gz LXVDWASAAHNEAI-UKRRQHHQSA-N 1 0 391.313 2.823 20 0 GFADRO C[C@@H](CC(=O)NC[C@@H]1c2ccccc2CN1C)n1cc(Br)cn1 ZINC000826690853 660461341 /nfs/dbraw/zinc/46/13/41/660461341.db2.gz VOJBNDJSGMAAHZ-BLLLJJGKSA-N 1 0 377.286 2.900 20 0 GFADRO C[C@]12CC[N@H+](CCC(=O)N3CCCC3)C[C@H]1C2(Br)Br ZINC000852337435 661861391 /nfs/dbraw/zinc/86/13/91/661861391.db2.gz SHDAHHUIIKFQTD-YPMHNXCESA-N 1 0 394.151 2.827 20 0 GFADRO O=C(C[C@@H]1C(=O)Nc2ccc(Br)cc21)N1CCC([NH+]2CCC2)CC1 ZINC000826935570 660472366 /nfs/dbraw/zinc/47/23/66/660472366.db2.gz ASDVJMUNRYFSIH-HNNXBMFYSA-N 1 0 392.297 2.572 20 0 GFADRO CCn1nnc(C)c1C[N@@H+]1CC[C@@]2(C)[C@@H](C1)C2(Br)Br ZINC000852337245 661861470 /nfs/dbraw/zinc/86/14/70/661861470.db2.gz MITNAWNGLQUIIV-NEPJUHHUSA-N 1 0 392.139 2.934 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3csc(I)c3)CC[C@H]21 ZINC000827319358 660489073 /nfs/dbraw/zinc/48/90/73/660489073.db2.gz NCQGMEMAWBSJKM-MWLCHTKSSA-N 1 0 376.263 2.519 20 0 GFADRO C[C@H](Oc1ccc(F)cc1Br)C(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000827337244 660489661 /nfs/dbraw/zinc/48/96/61/660489661.db2.gz KTIZUDAOJSMXMF-ZOWXZIJZSA-N 1 0 385.277 2.908 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3c(F)cccc3I)CC[C@H]21 ZINC000827300769 660488048 /nfs/dbraw/zinc/48/80/48/660488048.db2.gz NPKNTWKLOCSZEE-ZWNOBZJWSA-N 1 0 388.224 2.597 20 0 GFADRO CCC1([NH+]2CCOCC2)CCN(C(=O)c2cnc(Br)c(C)c2)CC1 ZINC000827619847 660505357 /nfs/dbraw/zinc/50/53/57/660505357.db2.gz FJCCTXASNVIECA-UHFFFAOYSA-N 1 0 396.329 2.870 20 0 GFADRO [NH3+][C@H](CC(=O)N1CCC(C(=O)Nc2ccccc2Br)CC1)C1CC1 ZINC000828257171 660541404 /nfs/dbraw/zinc/54/14/04/660541404.db2.gz SVWZZZKUZBINLY-OAHLLOKOSA-N 1 0 394.313 2.754 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2csc(I)n2)C[C@H]1C ZINC000828491145 660550631 /nfs/dbraw/zinc/55/06/31/660550631.db2.gz VDWLYKOPJUAAOB-NXEZZACHSA-N 1 0 393.294 2.693 20 0 GFADRO C[C@H](C(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1)c1ccc(I)cc1 ZINC000828511684 660553551 /nfs/dbraw/zinc/55/35/51/660553551.db2.gz NFHRFXBUBFHSRW-JGGQBBKZSA-N 1 0 398.288 2.947 20 0 GFADRO C[C@@]1(C[NH+]2CCN(c3ccc(NS(C)(=O)=O)cc3)CC2)CC1(Cl)Cl ZINC000828590663 660558571 /nfs/dbraw/zinc/55/85/71/660558571.db2.gz PEVVUKYHLLIDOI-HNNXBMFYSA-N 1 0 392.352 2.764 20 0 GFADRO C[NH+](C)[C@@H]1C[C@H](NC(=O)[C@@]2(C)CC2(Br)Br)C1(C)C ZINC000864064694 662353131 /nfs/dbraw/zinc/35/31/31/662353131.db2.gz ZJNAVKDRFGLSSG-YGOYTEALSA-N 1 0 382.140 2.727 20 0 GFADRO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)C[C@@H]1C(=O)Nc2c1cccc2Br ZINC000829569534 660601144 /nfs/dbraw/zinc/60/11/44/660601144.db2.gz FPZXNLRQUGTQAQ-SCRDCRAPSA-N 1 0 392.297 2.570 20 0 GFADRO O=C(N1CCC[C@@H]1c1ccccc1I)[C@@]1(F)CC[NH2+]C1 ZINC000829598143 660602455 /nfs/dbraw/zinc/60/24/55/660602455.db2.gz FUVUKCAFIGRGKA-UKRRQHHQSA-N 1 0 388.224 2.656 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)c2cc(Br)cc3c2OCCO3)C1 ZINC000829705771 660608389 /nfs/dbraw/zinc/60/83/89/660608389.db2.gz TWVBRVGVOMDUGO-CHWSQXEVSA-N 1 0 383.286 2.823 20 0 GFADRO CC(C)(O)c1ccc(C[NH2+]CCNS(=O)(=O)c2cccc(Cl)c2)cc1 ZINC000830200924 660641611 /nfs/dbraw/zinc/64/16/11/660641611.db2.gz ZJIBHKRTERRLKF-UHFFFAOYSA-N 1 0 382.913 2.636 20 0 GFADRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3cnn(C(C)(C)C)c3Br)CC[C@H]21 ZINC000830400843 660652662 /nfs/dbraw/zinc/65/26/62/660652662.db2.gz CRMBPDWHTFALFN-GXTWGEPZSA-N 1 0 383.334 2.957 20 0 GFADRO C[C@H]1C[C@H](N(C)S(=O)(=O)c2cnc(Cl)c(Br)c2)CC[N@@H+]1C ZINC000830668390 660670995 /nfs/dbraw/zinc/67/09/95/660670995.db2.gz QNWXBOXENUCKFE-VHSXEESVSA-N 1 0 396.738 2.601 20 0 GFADRO O[C@@H]1CC[C@@H]([NH2+]Cc2cc(Cl)ccc2I)CC[C@@H]1O ZINC000886262175 663106464 /nfs/dbraw/zinc/10/64/64/663106464.db2.gz LYYFQDXMNPXORH-DEZZGGKRSA-N 1 0 395.668 2.699 20 0 GFADRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)c1cc(Br)n[nH]1 ZINC000831607293 660714827 /nfs/dbraw/zinc/71/48/27/660714827.db2.gz LLLMTKLBLBRAMH-UHFFFAOYSA-N 1 0 392.301 2.946 20 0 GFADRO Cc1cc(N2CC[C@H](NC(=O)CCCCCC[NH3+])C2=O)ccc1Br ZINC000832012881 660745745 /nfs/dbraw/zinc/74/57/45/660745745.db2.gz BPWWZLXSIREHKC-INIZCTEOSA-N 1 0 396.329 2.888 20 0 GFADRO COC(=O)C1=C(C)O[C@@H](C[N@H+](C)C[C@@H](O)c2ccccc2Br)C1 ZINC000832680848 660795052 /nfs/dbraw/zinc/79/50/52/660795052.db2.gz XOLZHIMTHUMVKN-MLGOLLRUSA-N 1 0 384.270 2.650 20 0 GFADRO O=C(NCCCCC[NH+]1CCCC1)c1cccnc1I ZINC000832883841 660803428 /nfs/dbraw/zinc/80/34/28/660803428.db2.gz HQJKRWKLKGJQKN-UHFFFAOYSA-N 1 0 387.265 2.682 20 0 GFADRO C[C@@](O)(C[NH2+]CCCN1CCOCC1)c1ccc(Br)cc1Cl ZINC000834353702 660815631 /nfs/dbraw/zinc/81/56/31/660815631.db2.gz MNHNXJRBWDYIJB-MRXNPFEDSA-N 1 0 391.737 2.622 20 0 GFADRO C[C@@H](CN1CCOCC1)[NH2+]C[C@@](C)(O)c1ccc(Br)cc1Cl ZINC000834362477 660816313 /nfs/dbraw/zinc/81/63/13/660816313.db2.gz BPADNFQGQJNCRJ-BLLLJJGKSA-N 1 0 391.737 2.620 20 0 GFADRO C[C@@H](NCc1ccnc(N2CC[NH+](C)CC2)c1)c1nc(Br)cs1 ZINC000834512922 660822932 /nfs/dbraw/zinc/82/29/32/660822932.db2.gz BVPFMCZDWDLLKQ-GFCCVEGCSA-N 1 0 396.358 2.903 20 0 GFADRO C[C@H]([NH2+]CCS(=O)(=O)C1CCOCC1)c1ccc(F)c(Br)c1 ZINC000834887934 660837048 /nfs/dbraw/zinc/83/70/48/660837048.db2.gz ZKQGEFRRPMVCAF-NSHDSACASA-N 1 0 394.306 2.833 20 0 GFADRO O=C(NCCOc1ccc(Cl)c(Cl)c1)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000836280771 660897966 /nfs/dbraw/zinc/89/79/66/660897966.db2.gz BUMQUKHHXXKWDP-GXTWGEPZSA-N 1 0 388.295 2.535 20 0 GFADRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@H](O)c1ccccc1Br ZINC000836347047 660901073 /nfs/dbraw/zinc/90/10/73/660901073.db2.gz YFDLKSZHWQPWSP-CPUCHLNUSA-N 1 0 398.345 2.902 20 0 GFADRO CCN1CC[NH+](C[C@H](C)CNC(=O)Nc2ccnc(Br)c2C)CC1 ZINC000836678040 660925718 /nfs/dbraw/zinc/92/57/18/660925718.db2.gz NIOJWLNBXJKNLV-CYBMUJFWSA-N 1 0 398.349 2.548 20 0 GFADRO Cc1cc(Br)nc(NC(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)c1 ZINC000836760461 660939348 /nfs/dbraw/zinc/93/93/48/660939348.db2.gz NUXJFEZCQWPQEJ-CYBMUJFWSA-N 1 0 385.306 2.727 20 0 GFADRO COC(=O)CCCNC(=S)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000007403001 654470569 /nfs/dbraw/zinc/47/05/69/654470569.db2.gz VWZPQWQVDMDTRN-UHFFFAOYSA-N 1 0 383.945 2.722 20 0 GFADRO Cc1cc(Br)nc(NC(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000836765903 660941458 /nfs/dbraw/zinc/94/14/58/660941458.db2.gz GVVKYBUHFWVSBP-AWEZNQCLSA-N 1 0 397.317 2.729 20 0 GFADRO CC[NH+](CC)CCN(C(=S)Nc1ccccc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000011047291 654495567 /nfs/dbraw/zinc/49/55/67/654495567.db2.gz JJRYAAHTKCMYBO-MRXNPFEDSA-N 1 0 383.583 2.523 20 0 GFADRO C[N@H+](CCC(=O)NC(=O)NCc1ccccc1)Cc1ccc(Br)o1 ZINC000030218757 654584212 /nfs/dbraw/zinc/58/42/12/654584212.db2.gz WZLOMDHYXCPWTN-UHFFFAOYSA-N 1 0 394.269 2.890 20 0 GFADRO C[C@@H]1C[NH+](CCCNC(=O)C(=O)Nc2ccc(Cl)cc2Cl)C[C@@H](C)O1 ZINC000041275585 654625394 /nfs/dbraw/zinc/62/53/94/654625394.db2.gz JZNTVSILAKYKMZ-VXGBXAGGSA-N 1 0 388.295 2.547 20 0 GFADRO S=C(NCCSc1ccccc1)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000044157906 654654319 /nfs/dbraw/zinc/65/43/19/654654319.db2.gz BHKNWHMAKVXGBD-KRWDZBQOSA-N 1 0 379.595 2.840 20 0 GFADRO CN(C)S(=O)(=O)c1ccc(C[NH2+]Cc2ccc(Br)cc2)cc1 ZINC000047771113 654700516 /nfs/dbraw/zinc/70/05/16/654700516.db2.gz IQFCBORWDQQTNB-UHFFFAOYSA-N 1 0 383.311 2.989 20 0 GFADRO Cc1cccc(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)c1I ZINC000048238052 654703966 /nfs/dbraw/zinc/70/39/66/654703966.db2.gz MKDIXBXOYQBFBW-UONOGXRCSA-N 1 0 384.261 2.956 20 0 GFADRO COCC[N@@H+]1CCCN(C(=O)CCc2ccc(OC)c(Br)c2)CC1 ZINC000048428266 654707121 /nfs/dbraw/zinc/70/71/21/654707121.db2.gz DIRKFAMFXHULJB-UHFFFAOYSA-N 1 0 399.329 2.571 20 0 GFADRO CC(=O)N1CSC[C@H]1C(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000121935106 654725336 /nfs/dbraw/zinc/72/53/36/654725336.db2.gz ZBGBZCZMJGMVQL-IRXDYDNUSA-N 1 0 381.929 2.515 20 0 GFADRO C[NH2+]CCC1CCN(S(=O)(=O)c2cc(Br)sc2C)CC1 ZINC000122303906 654733099 /nfs/dbraw/zinc/73/30/99/654733099.db2.gz IKSSIPUZLJRNBZ-UHFFFAOYSA-N 1 0 381.361 2.829 20 0 GFADRO CS(=O)(=O)NCC[C@@H]1CCCC[N@@H+]1Cc1ccc(OC(F)(F)F)cc1 ZINC000052133745 654733371 /nfs/dbraw/zinc/73/33/71/654733371.db2.gz LKGZMLVKVVFQRW-AWEZNQCLSA-N 1 0 380.432 2.879 20 0 GFADRO C[C@@H]1C[NH+](CCCNC(=O)Nc2nnc(-c3ccsc3)s2)C[C@@H](C)O1 ZINC000052496623 654735963 /nfs/dbraw/zinc/73/59/63/654735963.db2.gz FNNTWUPDZSKDKH-VXGBXAGGSA-N 1 0 381.527 2.887 20 0 GFADRO Cc1ccc(Br)c(NC(=O)C(=O)NC[C@H](CC(C)C)[NH+](C)C)c1 ZINC000122599238 654739959 /nfs/dbraw/zinc/73/99/59/654739959.db2.gz CATZHZCQUAFGPL-ZDUSSCGKSA-N 1 0 384.318 2.789 20 0 GFADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CCOc2cccc(Br)c2)C1 ZINC000052843197 654740458 /nfs/dbraw/zinc/74/04/58/654740458.db2.gz VCUHUWTWVHUQSD-QGZVFWFLSA-N 1 0 399.329 2.691 20 0 GFADRO C[C@@H]1C[N@@H+](CCCNC(=O)Cc2ccc(F)c(Br)c2)C[C@H](C)O1 ZINC000054174029 654758173 /nfs/dbraw/zinc/75/81/73/654758173.db2.gz WZTVKIDXXBMIJV-BETUJISGSA-N 1 0 387.293 2.746 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)C(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000123968333 654767424 /nfs/dbraw/zinc/76/74/24/654767424.db2.gz KOXTYEWEJLLHIU-CYBMUJFWSA-N 1 0 382.302 2.687 20 0 GFADRO COc1ccc(CNC(=O)N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)cc1Br ZINC000123998376 654768187 /nfs/dbraw/zinc/76/81/87/654768187.db2.gz ZYNAORUAQBBWBY-AAEUAGOBSA-N 1 0 382.302 2.882 20 0 GFADRO CC(C)CO[C@@H]1CC[N@H+](Cn2nc(Br)c(=O)c3ccccc32)C1 ZINC000124307157 654774019 /nfs/dbraw/zinc/77/40/19/654774019.db2.gz YKTCHHXGTDNWEM-CYBMUJFWSA-N 1 0 380.286 2.863 20 0 GFADRO O=C(CC[NH+]1CCC(C2OCCO2)CC1)Nc1cccc(Br)c1 ZINC000124354363 654774904 /nfs/dbraw/zinc/77/49/04/654774904.db2.gz SDTJYIUEKLSZPV-UHFFFAOYSA-N 1 0 383.286 2.863 20 0 GFADRO O=C(NCC1CC[NH+](C2CC2)CC1)c1c(Br)nc2n1CCCC2 ZINC000837584090 661006249 /nfs/dbraw/zinc/00/62/49/661006249.db2.gz QGMKFPFNRYYMPX-UHFFFAOYSA-N 1 0 381.318 2.586 20 0 GFADRO CN1CCC([NH+]2CCC(NC(=O)Cc3cccc(Br)c3)CC2)CC1 ZINC000125336629 654791427 /nfs/dbraw/zinc/79/14/27/654791427.db2.gz FVSCOWDUTOLWFP-UHFFFAOYSA-N 1 0 394.357 2.666 20 0 GFADRO COc1ccc(Br)cc1S(=O)(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000125397055 654793412 /nfs/dbraw/zinc/79/34/12/654793412.db2.gz NQECGCUYNFMSCF-LLVKDONJSA-N 1 0 393.347 2.712 20 0 GFADRO C[C@@H](CC[S@@](C)=O)[NH2+]Cc1cc(Br)c2c(c1)OCCCO2 ZINC000125456686 654795231 /nfs/dbraw/zinc/79/52/31/654795231.db2.gz SFFBPZYNLWFZEV-MQJDWESPSA-N 1 0 376.316 2.857 20 0 GFADRO CC[NH+]1CCN(CCNC(=O)c2ccc(Br)cc2OC(C)C)CC1 ZINC000057041852 654798462 /nfs/dbraw/zinc/79/84/62/654798462.db2.gz HEZUNGDPQNMLOJ-UHFFFAOYSA-N 1 0 398.345 2.604 20 0 GFADRO CNC(=O)c1ccc(C[N@H+](C)[C@@H](CO)c2cccc(Br)c2)cc1 ZINC000125627050 654799880 /nfs/dbraw/zinc/79/98/80/654799880.db2.gz XSHKAHFMECFRHM-KRWDZBQOSA-N 1 0 377.282 2.974 20 0 GFADRO C[NH+](C)CCCNC(=O)NC[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000057201350 654803103 /nfs/dbraw/zinc/80/31/03/654803103.db2.gz LEQQAYROYYKANQ-CQSZACIVSA-N 1 0 383.334 2.526 20 0 GFADRO COC(=O)[C@@H](c1cc(Cl)cc(Cl)c1)N1CC[NH+](CC(C)(C)O)CC1 ZINC000126025036 654806910 /nfs/dbraw/zinc/80/69/10/654806910.db2.gz KODAESWZQJVRAT-OAHLLOKOSA-N 1 0 375.296 2.596 20 0 GFADRO CCC[N@@H+]1CCC[C@H]1C(=O)NCC(=O)Nc1ccc(Br)c(C)c1 ZINC000126223073 654810570 /nfs/dbraw/zinc/81/05/70/654810570.db2.gz FXOHMSBENNZQMC-HNNXBMFYSA-N 1 0 382.302 2.687 20 0 GFADRO C[C@H]1C[C@H](C)CN(S(=O)(=O)NCC2CC[NH+](Cc3cccs3)CC2)C1 ZINC000057928584 654812506 /nfs/dbraw/zinc/81/25/06/654812506.db2.gz LKLPCZPDIXYWLJ-HOTGVXAUSA-N 1 0 385.599 2.772 20 0 GFADRO O=S(=O)(NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1ccc(F)cc1Cl ZINC000127518583 654831105 /nfs/dbraw/zinc/83/11/05/654831105.db2.gz ZQERVEQMHKRBOF-HOTGVXAUSA-N 1 0 390.908 2.525 20 0 GFADRO O=C(NCCc1ccccc1Br)N1CCN(c2cc[nH+]cc2)CC1 ZINC000061020680 654835331 /nfs/dbraw/zinc/83/53/31/654835331.db2.gz DSZRYCCISGBUIE-UHFFFAOYSA-N 1 0 389.297 2.918 20 0 GFADRO C[NH+](C)CCNC(=O)C1CCN(C(=O)Nc2cccc(Cl)c2Cl)CC1 ZINC000062372975 654845399 /nfs/dbraw/zinc/84/53/99/654845399.db2.gz DLXCTQUCFSCFKU-UHFFFAOYSA-N 1 0 387.311 2.915 20 0 GFADRO O=C(Nc1cc(Cl)cc(Cl)c1)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000128458747 654847485 /nfs/dbraw/zinc/84/74/85/654847485.db2.gz CSPJKVNYWHLSIA-UHFFFAOYSA-N 1 0 379.247 2.676 20 0 GFADRO Cc1cc(I)ccc1NC(=S)NC1CC[NH+](C)CC1 ZINC000063142360 654849470 /nfs/dbraw/zinc/84/94/70/654849470.db2.gz WCZTXYWWZXQGEK-UHFFFAOYSA-N 1 0 389.306 2.980 20 0 GFADRO O=C(NCCC[NH+]1CCCC1)[C@H]1CCN(c2cc(Cl)ccc2Cl)C1=O ZINC000063666983 654855778 /nfs/dbraw/zinc/85/57/78/654855778.db2.gz WWSITXROQNYPNF-CQSZACIVSA-N 1 0 384.307 2.948 20 0 GFADRO Cc1c(C(=O)N2CCC([NH+](C)C)CC2)nnn1-c1cccc(Br)c1 ZINC000063734784 654856811 /nfs/dbraw/zinc/85/68/11/654856811.db2.gz QYKXTCWOPFACQR-UHFFFAOYSA-N 1 0 392.301 2.504 20 0 GFADRO COCC[N@H+](C)CCCNC(=O)Cn1c(C)c(Br)c2ccccc21 ZINC000063744210 654857049 /nfs/dbraw/zinc/85/70/49/654857049.db2.gz KTMIRBOMXLQCHG-UHFFFAOYSA-N 1 0 396.329 2.797 20 0 GFADRO C[C@@H](CNC(=O)CNC(=O)c1ccc(Cl)cc1Cl)C[NH+]1CCCCC1 ZINC000063782007 654858050 /nfs/dbraw/zinc/85/80/50/654858050.db2.gz ZDPPSDKJIDYHCK-ZDUSSCGKSA-N 1 0 386.323 2.961 20 0 GFADRO Cc1cc(S(=O)(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)sc1Br ZINC000129175827 654859156 /nfs/dbraw/zinc/85/91/56/654859156.db2.gz DKDMRDSWNUGRAV-NEPJUHHUSA-N 1 0 393.372 2.924 20 0 GFADRO CC[NH+]1CCN(C[C@@H](C)CNS(=O)(=O)/C=C/c2ccccc2Cl)CC1 ZINC000266213465 654863638 /nfs/dbraw/zinc/86/36/38/654863638.db2.gz QVMWOXVDLLHQFC-OIQJVACTSA-N 1 0 385.961 2.504 20 0 GFADRO Cc1cc(Br)c(S(=O)(=O)N(C)[C@H]2CC[N@@H+](C)C[C@H]2C)s1 ZINC000266218653 654864100 /nfs/dbraw/zinc/86/41/00/654864100.db2.gz RREOMUGHQDQYHJ-SKDRFNHKSA-N 1 0 381.361 2.780 20 0 GFADRO CC(C)[N@H+](C)CC1CCN(C(=O)CS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000064738641 654874789 /nfs/dbraw/zinc/87/47/89/654874789.db2.gz IBCWIGRZZJRHGZ-UHFFFAOYSA-N 1 0 386.945 2.693 20 0 GFADRO C[N@@H+]1CCCN(CCNC(=S)Nc2ccc(OC(F)(F)F)cc2)CC1 ZINC000064894912 654877247 /nfs/dbraw/zinc/87/72/47/654877247.db2.gz BRKJFOWXXMHYMA-UHFFFAOYSA-N 1 0 376.448 2.509 20 0 GFADRO COc1cc(C(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)sc1Br ZINC000130256320 654886260 /nfs/dbraw/zinc/88/62/60/654886260.db2.gz AQJYKLDVNUFTDQ-NSHDSACASA-N 1 0 391.331 2.702 20 0 GFADRO Cc1[nH]nc(C(=O)Nc2ccc(NC(=O)CC[NH+](C)C)cc2)c1Br ZINC000065909753 654890138 /nfs/dbraw/zinc/89/01/38/654890138.db2.gz ZNXBPAPIXHNTDN-UHFFFAOYSA-N 1 0 394.273 2.623 20 0 GFADRO Cc1ccc(S(=O)(=O)NCC[NH2+]Cc2cccc(Br)c2)cc1 ZINC000065977296 654891910 /nfs/dbraw/zinc/89/19/10/654891910.db2.gz HOFIIOSMCAFCMG-UHFFFAOYSA-N 1 0 383.311 2.826 20 0 GFADRO CN(CC[N@H+](C)C1CCN(C)CC1)C(=S)NCCSc1ccccc1 ZINC000066007445 654892828 /nfs/dbraw/zinc/89/28/28/654892828.db2.gz KOHAABYNCPUSNW-UHFFFAOYSA-N 1 0 380.627 2.611 20 0 GFADRO CC[NH+]1CCN(CCCNC(=O)c2ccc(Br)c(Cl)c2)CC1 ZINC000130975718 654894701 /nfs/dbraw/zinc/89/47/01/654894701.db2.gz ZXTZIVCQOORYNX-UHFFFAOYSA-N 1 0 388.737 2.860 20 0 GFADRO CC[C@H](C)[N@H+](C)CCNC(=O)c1ccc(F)cc1I ZINC000066125454 654895653 /nfs/dbraw/zinc/89/56/53/654895653.db2.gz WCMCUDZCAQRHOU-JTQLQIEISA-N 1 0 378.229 2.890 20 0 GFADRO CC[C@H](C)[N@H+](C)CCNC(=O)[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000066125102 654895732 /nfs/dbraw/zinc/89/57/32/654895732.db2.gz SMJHAUOBAZFHSV-BBRMVZONSA-N 1 0 396.329 2.649 20 0 GFADRO COC(=O)C[C@@H]1CSCC[N@@H+]1CCC(=O)Nc1cc(Cl)ccc1OC ZINC000266892837 654897996 /nfs/dbraw/zinc/89/79/96/654897996.db2.gz DJBQBABFRVDBNE-CYBMUJFWSA-N 1 0 386.901 2.658 20 0 GFADRO O=C(COc1ccc(Cl)cc1Cl)NCCCC[N@H+]1CCC[C@@H]1CO ZINC000131456080 654907782 /nfs/dbraw/zinc/90/77/82/654907782.db2.gz XRLJSNFMUBXUOS-CQSZACIVSA-N 1 0 375.296 2.725 20 0 GFADRO Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1CNC[C@@](C)(O)C[NH+](C)C ZINC000131542344 654909682 /nfs/dbraw/zinc/90/96/82/654909682.db2.gz OJNGLNFAGMKIAB-GOSISDBHSA-N 1 0 385.339 2.949 20 0 GFADRO CC(=O)Nc1ccc(S(=O)(=O)NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)cc1Cl ZINC000267191489 654916256 /nfs/dbraw/zinc/91/62/56/654916256.db2.gz LKHAHRBDSPCXBK-STQMWFEESA-N 1 0 387.933 2.697 20 0 GFADRO C[NH+](C)CCN(CCCc1ccccc1)S(=O)(=O)c1ccc(Cl)nc1 ZINC000066871069 654918997 /nfs/dbraw/zinc/91/89/97/654918997.db2.gz XFFMATWQCJAXOP-UHFFFAOYSA-N 1 0 381.929 2.920 20 0 GFADRO C[N@@H+]1CC[C@H](Cn2nnnc2Sc2ncc(C(F)(F)F)cc2Cl)C1 ZINC000131986118 654924196 /nfs/dbraw/zinc/92/41/96/654924196.db2.gz WNXXEHMLUQJVOE-QMMMGPOBSA-N 1 0 378.811 2.843 20 0 GFADRO CC(C)[NH+]1CCC(NC(=O)Nc2cccc(S(=O)(=O)C(F)F)c2)CC1 ZINC000067317738 654935354 /nfs/dbraw/zinc/93/53/54/654935354.db2.gz IBZJJLRANVUKEI-UHFFFAOYSA-N 1 0 375.441 2.677 20 0 GFADRO COc1c(Cl)cccc1NC(=O)C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000067321966 654935410 /nfs/dbraw/zinc/93/54/10/654935410.db2.gz GXMXMBXPEXJOAX-ZDUSSCGKSA-N 1 0 381.885 2.768 20 0 GFADRO Cc1ccc(NC(=O)C(=O)N[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)cc1Br ZINC000067398105 654937856 /nfs/dbraw/zinc/93/78/56/654937856.db2.gz KLHWALSFPQPNMS-JSGCOSHPSA-N 1 0 396.329 2.933 20 0 GFADRO CSCC[C@H]1NC(=S)N(C[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1=O ZINC000067507295 654939683 /nfs/dbraw/zinc/93/96/83/654939683.db2.gz JHVJOUMOGYKBIF-DLBZAZTESA-N 1 0 377.579 2.737 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)NC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000067782043 654945645 /nfs/dbraw/zinc/94/56/45/654945645.db2.gz DCHYXPRYCDNQJR-CQSZACIVSA-N 1 0 396.329 2.851 20 0 GFADRO Cc1cc(NC(=O)[C@H](C)[NH+]2CCC3(CNC(=O)C3)CC2)ccc1Br ZINC000267838437 654948438 /nfs/dbraw/zinc/94/84/38/654948438.db2.gz SZIWUIHPULZPPJ-ZDUSSCGKSA-N 1 0 394.313 2.687 20 0 GFADRO C[NH+](C)Cc1ccsc1C(=O)N1CCCN(C(=O)c2ccsc2)CC1 ZINC000267996854 654955568 /nfs/dbraw/zinc/95/55/68/654955568.db2.gz BSULDKWLLCCPPZ-UHFFFAOYSA-N 1 0 377.535 2.860 20 0 GFADRO C[C@H](CNC(=O)[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)[N@H+](C)C1CC1 ZINC000068195986 654957300 /nfs/dbraw/zinc/95/73/00/654957300.db2.gz ZWYBBDZFCOQGJB-RISCZKNCSA-N 1 0 384.307 2.945 20 0 GFADRO C[C@H](CNC(=O)[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)[N@H+](C)C1CC1 ZINC000068195988 654957639 /nfs/dbraw/zinc/95/76/39/654957639.db2.gz ZWYBBDZFCOQGJB-BXUZGUMPSA-N 1 0 384.307 2.945 20 0 GFADRO C[C@H](CC[S@](C)=O)NC(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000268106235 654959105 /nfs/dbraw/zinc/95/91/05/654959105.db2.gz DBDJUAUFECECQQ-BZQUYTCOSA-N 1 0 383.583 2.557 20 0 GFADRO C[C@H](Cn1cc(Br)cn1)[NH2+]C1CCN(C(=O)c2ccoc2)CC1 ZINC000133287904 654959457 /nfs/dbraw/zinc/95/94/57/654959457.db2.gz KUGMRHDFXVDGTJ-GFCCVEGCSA-N 1 0 381.274 2.522 20 0 GFADRO CCCS(=O)(=O)N1CCC([NH2+]Cc2sccc2Br)CC1 ZINC000133313400 654960249 /nfs/dbraw/zinc/96/02/49/654960249.db2.gz KBXKWYMSXMBCSI-UHFFFAOYSA-N 1 0 381.361 2.804 20 0 GFADRO CC[NH+]1CCN([C@H](C)CNC(=O)[C@H]2C[C@@H]2c2ccc(Br)cc2)CC1 ZINC000133367247 654962090 /nfs/dbraw/zinc/96/20/90/654962090.db2.gz OJMNZKHRCDRSHR-OLMNPRSZSA-N 1 0 394.357 2.695 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)N1CCC[C@@H]([NH2+]C)C1 ZINC000133373398 654962397 /nfs/dbraw/zinc/96/23/97/654962397.db2.gz NFSMKKIURDWBTQ-HUUCEWRRSA-N 1 0 384.567 2.561 20 0 GFADRO CC[NH+]1CCC(NC(=O)CN2CCCc3cc(Br)ccc32)CC1 ZINC000133394560 654963140 /nfs/dbraw/zinc/96/31/40/654963140.db2.gz BLNRRPWDUQMQAI-UHFFFAOYSA-N 1 0 380.330 2.802 20 0 GFADRO CN(C[C@H](O)c1ccccc1Br)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000838484572 661047361 /nfs/dbraw/zinc/04/73/61/661047361.db2.gz HLROMWBGCTYRNS-YOEHRIQHSA-N 1 0 396.329 2.608 20 0 GFADRO CC(C)[NH+]1CCC(O)(CNC(=O)c2cc3c(cccc3Br)[nH]2)CC1 ZINC000268487496 654974417 /nfs/dbraw/zinc/97/44/17/654974417.db2.gz QLYHKIMOBORACV-UHFFFAOYSA-N 1 0 394.313 2.896 20 0 GFADRO CC(C)[NH+]1CCC(O)(CNC(=O)NCCc2ccc(Br)cc2)CC1 ZINC000268498148 654975067 /nfs/dbraw/zinc/97/50/67/654975067.db2.gz SCQQZCHLCUPMHW-UHFFFAOYSA-N 1 0 398.345 2.526 20 0 GFADRO Cc1nn(C)c2ncc(C[NH2+][C@@H](CO)c3cccc(Br)c3)cc12 ZINC000133888328 654976420 /nfs/dbraw/zinc/97/64/20/654976420.db2.gz YHTWAKRTBDTFPN-INIZCTEOSA-N 1 0 375.270 2.862 20 0 GFADRO O=S(=O)(c1ccc2nc(Cl)cnc2c1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000268528929 654976594 /nfs/dbraw/zinc/97/65/94/654976594.db2.gz ICCHFWTZCFJQBR-ZDUSSCGKSA-N 1 0 380.901 2.532 20 0 GFADRO C[N@H+](CC(=O)N[C@H]1CCN(c2ccc(Br)cc2)C1)[C@@H]1CCSC1 ZINC000133951708 654978491 /nfs/dbraw/zinc/97/84/91/654978491.db2.gz PZROUNPSIXRSBU-GOEBONIOSA-N 1 0 398.370 2.581 20 0 GFADRO C[C@@H](CNC(=O)CNC(=O)c1sc2ccccc2c1Cl)[N@H+](C)C1CC1 ZINC000069534273 654983205 /nfs/dbraw/zinc/98/32/05/654983205.db2.gz LNWZFFHDFYAYKC-NSHDSACASA-N 1 0 379.913 2.883 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)N[C@@H](C)CN1CC[NH+](C)CC1 ZINC000268732201 654984580 /nfs/dbraw/zinc/98/45/80/654984580.db2.gz RBKRFQLQCNOCCU-ZDUSSCGKSA-N 1 0 383.334 2.769 20 0 GFADRO C[C@@H]([NH2+]CCCOC[C@@H]1CCCO1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000268738870 654985286 /nfs/dbraw/zinc/98/52/86/654985286.db2.gz OVSGVCGZLSCOTH-HIFRSBDPSA-N 1 0 377.453 2.919 20 0 GFADRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc(Br)cc1-n1cncn1 ZINC000134191620 654985756 /nfs/dbraw/zinc/98/57/56/654985756.db2.gz HJLFWXFOTORMEU-CQSZACIVSA-N 1 0 392.301 2.634 20 0 GFADRO O=C(Cc1ccccc1Br)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000069744676 654986073 /nfs/dbraw/zinc/98/60/73/654986073.db2.gz GOAJOSPFODYIGC-HNNXBMFYSA-N 1 0 381.314 2.562 20 0 GFADRO COCCC[C@@H](NC[C@@H](O)C[NH+]1CCCC1)c1ccc(Br)cc1 ZINC000268881028 654989955 /nfs/dbraw/zinc/98/99/55/654989955.db2.gz XSTSUGZDHZATGR-QZTJIDSGSA-N 1 0 385.346 2.963 20 0 GFADRO C[C@H]([NH2+]C[C@@]1(N(C)C)CCSC1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000268912705 654990758 /nfs/dbraw/zinc/99/07/58/654990758.db2.gz IBYQAGZLCOKBCB-LRDDRELGSA-N 1 0 378.510 2.771 20 0 GFADRO COCCC[N@H+](CCCOc1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000071121590 654999573 /nfs/dbraw/zinc/99/95/73/654999573.db2.gz POKMAZXHRFPSNU-MRXNPFEDSA-N 1 0 375.918 2.635 20 0 GFADRO CCCC[C@H](C[NH3+])NC(=O)[C@@H](CCSC)NC(=O)c1ccccc1Cl ZINC000269196274 655001411 /nfs/dbraw/zinc/00/14/11/655001411.db2.gz QFAZLMWFWMSZFI-CZUORRHYSA-N 1 0 385.961 2.825 20 0 GFADRO Cc1ccc(-n2nc(Br)cc2C(=O)N2CC[C@@H]([NH3+])[C@H](C)C2)cc1 ZINC000269207036 655001620 /nfs/dbraw/zinc/00/16/20/655001620.db2.gz MHZBALWVVQJSSG-TZMCWYRMSA-N 1 0 377.286 2.753 20 0 GFADRO C[C@@H](NC(=O)COc1ccc(Br)cc1Cl)[C@@H]1CCC[NH2+]C1 ZINC000269204168 655001662 /nfs/dbraw/zinc/00/16/62/655001662.db2.gz NMQNQMUZTWNDAF-GHMZBOCLSA-N 1 0 375.694 2.986 20 0 GFADRO O=C(C[C@@H]1C[NH2+]CCO1)Nc1nc2ccc(OCC(F)(F)F)cc2s1 ZINC000269213282 655001784 /nfs/dbraw/zinc/00/17/84/655001784.db2.gz CHGYXRPRNQHFSO-SNVBAGLBSA-N 1 0 375.372 2.554 20 0 GFADRO C[C@H](NC(=O)c1cc(F)c(F)cc1I)[C@@H]1CCC[NH2+]C1 ZINC000269213801 655001871 /nfs/dbraw/zinc/00/18/71/655001871.db2.gz QAXUZRRLLLAJDJ-DTWKUNHWSA-N 1 0 394.203 2.687 20 0 GFADRO Cc1cc(Br)cc(C)c1CNC(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC000269219805 655002109 /nfs/dbraw/zinc/00/21/09/655002109.db2.gz JQEKSANIXHACRP-UHFFFAOYSA-N 1 0 392.301 2.512 20 0 GFADRO C[C@H](CNC(=O)NCCOc1ncc(Cl)cc1Cl)C[NH+]1CCCC1 ZINC000134817119 655004390 /nfs/dbraw/zinc/00/43/90/655004390.db2.gz FQKCTUFESKXZNJ-GFCCVEGCSA-N 1 0 375.300 2.798 20 0 GFADRO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)NCC[C@]2(C)CC2(Cl)Cl)CC1 ZINC000838680253 661053598 /nfs/dbraw/zinc/05/35/98/661053598.db2.gz AZPRJSOXCXNWOI-DOTOQJQBSA-N 1 0 391.387 2.772 20 0 GFADRO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)NCC[C@@]1(C)CC1(Cl)Cl ZINC000838686405 661054482 /nfs/dbraw/zinc/05/44/82/661054482.db2.gz MAEHAZUSGCOCOX-INIZCTEOSA-N 1 0 379.376 2.628 20 0 GFADRO CCC[C@@H](C)[C@H]1CCC[N@@H+]1CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl ZINC000135348273 655014096 /nfs/dbraw/zinc/01/40/96/655014096.db2.gz DTAFDNHDEXRLHQ-MLGOLLRUSA-N 1 0 387.933 2.827 20 0 GFADRO CN(C[C@H](O)c1ccccc1Br)C(=O)NCCCC[N@H+](C)C1CC1 ZINC000838734495 661055529 /nfs/dbraw/zinc/05/55/29/661055529.db2.gz SPWYMNMHCQGUCX-KRWDZBQOSA-N 1 0 398.345 2.998 20 0 GFADRO O=C(NCc1nc2cc(Br)cnc2[nH]1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000269703902 655017943 /nfs/dbraw/zinc/01/79/43/655017943.db2.gz QCJTWTQWQUBVFB-CQSZACIVSA-N 1 0 392.301 2.744 20 0 GFADRO CCS(=O)(=O)N(C)C1CC[NH+](Cc2ccc(OCC(F)F)cc2)CC1 ZINC000093320940 655018269 /nfs/dbraw/zinc/01/82/69/655018269.db2.gz GAZXWVDGRFYRBJ-UHFFFAOYSA-N 1 0 376.469 2.576 20 0 GFADRO CCS(=O)(=O)N(C)C1CC[NH+](Cc2cccc(OC(F)(F)F)c2)CC1 ZINC000093321145 655018329 /nfs/dbraw/zinc/01/83/29/655018329.db2.gz ACEXKOVXLIOCFN-UHFFFAOYSA-N 1 0 380.432 2.831 20 0 GFADRO Cc1ccc(Cl)c(S(=O)(=O)NCC2(O)CC[NH+](C(C)C)CC2)c1Cl ZINC000269768859 655020961 /nfs/dbraw/zinc/02/09/61/655020961.db2.gz FJJYKAHTNVLEMG-UHFFFAOYSA-N 1 0 395.352 2.815 20 0 GFADRO Cc1sc2ccc(Cl)cc2c1S(=O)(=O)NCC1(O)CC[NH+](C)CC1 ZINC000269844774 655024393 /nfs/dbraw/zinc/02/43/93/655024393.db2.gz ZAUINUCFPJOGPI-UHFFFAOYSA-N 1 0 388.942 2.598 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@H](NC(=O)c2ccn(-c3cccc(Br)c3)n2)C1 ZINC000094003989 655025768 /nfs/dbraw/zinc/02/57/68/655025768.db2.gz VIZWSTPFAWNFFK-UONOGXRCSA-N 1 0 377.286 2.847 20 0 GFADRO O=C(NCCC[NH+]1CCC(O)CC1)c1cc2c(cc(Br)cc2F)[nH]1 ZINC000136124168 655027791 /nfs/dbraw/zinc/02/77/91/655027791.db2.gz CTZKEEYZFYCKQW-UHFFFAOYSA-N 1 0 398.276 2.646 20 0 GFADRO CN1C(=O)C[C@H]([NH2+]Cc2cc(C(N)=O)cs2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000270010949 655030975 /nfs/dbraw/zinc/03/09/75/655030975.db2.gz UMBPNWPXVQSJBP-GOEBONIOSA-N 1 0 381.860 2.701 20 0 GFADRO CN1CC[NH+](CCCCNC(=O)Nc2cc(F)ccc2Br)CC1 ZINC000136440665 655031499 /nfs/dbraw/zinc/03/14/99/655031499.db2.gz IFLZOLSJDDIBCT-UHFFFAOYSA-N 1 0 387.297 2.737 20 0 GFADRO O=C(CCc1cccc(Br)c1)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000136847982 655036063 /nfs/dbraw/zinc/03/60/63/655036063.db2.gz WBQADCIZACXTRW-INIZCTEOSA-N 1 0 395.341 2.999 20 0 GFADRO C[NH+]1CCC([C@H]2CCN(S(=O)(=O)c3ccc(Cl)nc3Cl)C2)CC1 ZINC000270258901 655039085 /nfs/dbraw/zinc/03/90/85/655039085.db2.gz SVCDFSJRZUBLJY-LBPRGKRZSA-N 1 0 378.325 2.741 20 0 GFADRO C[C@@H](Oc1ccccc1Br)C(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000270391895 655042989 /nfs/dbraw/zinc/04/29/89/655042989.db2.gz SMWZFIGEGQFJQO-CQSZACIVSA-N 1 0 399.329 2.522 20 0 GFADRO C[C@@H](Cn1cccn1)[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000138842425 655043358 /nfs/dbraw/zinc/04/33/58/655043358.db2.gz HSUWAADBEYLDKV-AWEZNQCLSA-N 1 0 379.302 2.661 20 0 GFADRO O=S(=O)(Cc1ccc(Cl)nc1)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000101571085 655044382 /nfs/dbraw/zinc/04/43/82/655044382.db2.gz NTQFCLQKMQMJBV-UHFFFAOYSA-N 1 0 379.913 2.603 20 0 GFADRO CCNC(=O)CC[NH+]1CCC(C(=O)Nc2ccccc2Br)CC1 ZINC000101916535 655048416 /nfs/dbraw/zinc/04/84/16/655048416.db2.gz NKKTYMJOTXWNRY-UHFFFAOYSA-N 1 0 382.302 2.626 20 0 GFADRO O=C(COc1c(Cl)cccc1Cl)NCCCC[N@H+]1CCC[C@H]1CO ZINC000270607507 655050709 /nfs/dbraw/zinc/05/07/09/655050709.db2.gz FPPVKZDYMBTREM-ZDUSSCGKSA-N 1 0 375.296 2.725 20 0 GFADRO CCc1nc(CC[NH2+]Cc2cc(Cl)c(OCC(N)=O)c(OC)c2)cs1 ZINC000102431477 655055376 /nfs/dbraw/zinc/05/53/76/655055376.db2.gz VRILPXKOJOGXCZ-UHFFFAOYSA-N 1 0 383.901 2.564 20 0 GFADRO CC(C)[NH+]1CCN(C2CCN(C(=O)c3coc(Br)c3)CC2)CC1 ZINC000270916872 655060066 /nfs/dbraw/zinc/06/00/66/655060066.db2.gz ONWPEPPQPQDZBC-UHFFFAOYSA-N 1 0 384.318 2.673 20 0 GFADRO C[NH+]1CCC(CCNC(=O)N[C@@H](CO)c2ccc(Br)cc2)CC1 ZINC000271091535 655066452 /nfs/dbraw/zinc/06/64/52/655066452.db2.gz VELMXORZLSAZLT-INIZCTEOSA-N 1 0 384.318 2.514 20 0 GFADRO COc1cc(C[NH2+][C@@H](CO)Cc2ccc(F)cc2)cc(Br)c1O ZINC000271252215 655072799 /nfs/dbraw/zinc/07/27/99/655072799.db2.gz XFDRXGPMBSFYDB-CQSZACIVSA-N 1 0 384.245 2.996 20 0 GFADRO CN(CC[N@H+](C)C1CCCCC1)C(=O)c1nccn2c(Br)cnc12 ZINC000271304899 655075502 /nfs/dbraw/zinc/07/55/02/655075502.db2.gz VINZMODPSIUXMX-UHFFFAOYSA-N 1 0 394.317 2.828 20 0 GFADRO C[N@@H+]1CC[C@H](CNC(=O)CCc2nc(-c3cc(Br)cs3)no2)C1 ZINC000104186305 655079295 /nfs/dbraw/zinc/07/92/95/655079295.db2.gz RGSORTFDTDJRNM-SNVBAGLBSA-N 1 0 399.314 2.561 20 0 GFADRO C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C[C@@H]1CSCCS1 ZINC000154965742 655079507 /nfs/dbraw/zinc/07/95/07/655079507.db2.gz VGXDNXZRVSMVNU-SJLPKXTDSA-N 1 0 379.595 2.552 20 0 GFADRO C[C@H]([NH2+]CCCOC1CCOCC1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000271444313 655081526 /nfs/dbraw/zinc/08/15/26/655081526.db2.gz DVFJLEYXGOSGTL-ZDUSSCGKSA-N 1 0 377.453 2.919 20 0 GFADRO Cc1nc(Br)ccc1NC(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000271524806 655084086 /nfs/dbraw/zinc/08/40/86/655084086.db2.gz DFPQQQMRTFKIGL-UHFFFAOYSA-N 1 0 397.317 2.919 20 0 GFADRO CC(=O)Nc1cc(F)c(S(=O)(=O)NCC[NH+](C(C)C)C(C)C)cc1Cl ZINC000104733408 655084816 /nfs/dbraw/zinc/08/48/16/655084816.db2.gz MFXIQRQCONVDCJ-UHFFFAOYSA-N 1 0 393.912 2.835 20 0 GFADRO COc1cc[nH+]c(N2CCN(C(=O)c3cc(F)c(Cl)nc3Cl)CC2)c1 ZINC000105378057 655091422 /nfs/dbraw/zinc/09/14/22/655091422.db2.gz LTLNCYQCQCNOHJ-UHFFFAOYSA-N 1 0 385.226 2.894 20 0 GFADRO CN(C)CC(C)(C)[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000839092511 661071823 /nfs/dbraw/zinc/07/18/23/661071823.db2.gz PFVFPLZSCCWEMR-GFCCVEGCSA-N 1 0 379.726 2.772 20 0 GFADRO O=S1(=O)CC[C@]2(C1)C[C@H]([NH2+]Cc1cc(Cl)cc3cccnc31)CCO2 ZINC000271975335 655099821 /nfs/dbraw/zinc/09/98/21/655099821.db2.gz ILDZSHVHBSYWCA-SJLPKXTDSA-N 1 0 380.897 2.714 20 0 GFADRO O=S1(=O)CC[C@]2(C1)C[C@@H]([NH2+]Cc1cnc(-c3ccccc3)s1)CCO2 ZINC000271978421 655100032 /nfs/dbraw/zinc/10/00/32/655100032.db2.gz JAUNMQZTFJLQOM-MAUKXSAKSA-N 1 0 378.519 2.636 20 0 GFADRO O=S1(=O)CC[C@@]2(C1)C[C@H]([NH2+]Cc1cc(C(F)(F)F)ccc1F)CCO2 ZINC000272106089 655102868 /nfs/dbraw/zinc/10/28/68/655102868.db2.gz WWJPOTPXKAWIRM-HIFRSBDPSA-N 1 0 381.391 2.670 20 0 GFADRO Cn1ccnc1Sc1ncc(C(=O)N2CCC[C@@H]([NH+](C)C)C2)cc1Cl ZINC000106363773 655107127 /nfs/dbraw/zinc/10/71/27/655107127.db2.gz UPBWZZMXTOBXOO-CYBMUJFWSA-N 1 0 379.917 2.786 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCN(C(=O)[C@H](c2ccc(Cl)cc2Cl)N2CCOCC2)C1 ZINC000272287906 655108048 /nfs/dbraw/zinc/10/80/48/655108048.db2.gz PCXZJMQGFNYTFU-DCGLDWPTSA-N 1 0 386.323 2.562 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCN(C(=O)CCC[S@](=O)c2ccc(Br)cc2)C1 ZINC000272314994 655108737 /nfs/dbraw/zinc/10/87/37/655108737.db2.gz SJGIZMACVZSTPH-MZFXBISCSA-N 1 0 387.343 2.533 20 0 GFADRO C[N@@H+]1CC[C@H]2CCN(C(=O)Nc3ccc(I)cc3)[C@@H]2C1 ZINC000272343764 655109574 /nfs/dbraw/zinc/10/95/74/655109574.db2.gz ZERQVXFDCINULH-SMDDNHRTSA-N 1 0 385.249 2.849 20 0 GFADRO COc1ccsc1S(=O)(=O)N[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272485861 655114485 /nfs/dbraw/zinc/11/44/85/655114485.db2.gz VMFLVFKLZUXPAR-ZBFHGGJFSA-N 1 0 380.535 2.946 20 0 GFADRO C[N@@H+]1CC[C@H]2CCN(C(=O)c3ccc(F)cc3I)[C@H]2C1 ZINC000272542230 655115845 /nfs/dbraw/zinc/11/58/45/655115845.db2.gz RZPBHJJQZFSFRU-HZMBPMFUSA-N 1 0 388.224 2.597 20 0 GFADRO NS(=O)(=O)CC1CC[NH+](CCSc2ccnc3cc(Cl)ccc32)CC1 ZINC000272550845 655116105 /nfs/dbraw/zinc/11/61/05/655116105.db2.gz SQVAQCOVXDBTLO-UHFFFAOYSA-N 1 0 399.969 2.981 20 0 GFADRO C[C@@H]1CCC[N@H+](CCNC(=O)c2csc(I)c2)C1 ZINC000107555394 655122369 /nfs/dbraw/zinc/12/23/69/655122369.db2.gz UBPMMZBYIWXHET-SNVBAGLBSA-N 1 0 378.279 2.814 20 0 GFADRO O=S(=O)(CCC[NH2+]C1CCN(c2nccs2)CC1)Cc1ccccc1 ZINC000272749659 655120570 /nfs/dbraw/zinc/12/05/70/655120570.db2.gz SPYCDRYWGUYDQF-UHFFFAOYSA-N 1 0 379.551 2.707 20 0 GFADRO COc1ccc(C(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)nc1Br ZINC000272787161 655121367 /nfs/dbraw/zinc/12/13/67/655121367.db2.gz PCXKRUSCXGDCLM-ZDUSSCGKSA-N 1 0 382.302 2.657 20 0 GFADRO Ic1cccc(OCCC[N@@H+]2CCC3(C2)OCCO3)c1 ZINC000160691622 655123685 /nfs/dbraw/zinc/12/36/85/655123685.db2.gz DWBYBZXTVFXGBT-UHFFFAOYSA-N 1 0 389.233 2.509 20 0 GFADRO CN(C(=O)c1cnn(-c2cccc(Br)c2)c1)C1CCC([NH3+])CC1 ZINC000161421802 655127051 /nfs/dbraw/zinc/12/70/51/655127051.db2.gz VARIXNMCTCIMQP-UHFFFAOYSA-N 1 0 377.286 2.977 20 0 GFADRO COc1ccc(C(=O)N2CCC([NH+]3CCCCC3)CC2)nc1Br ZINC000273049674 655128889 /nfs/dbraw/zinc/12/88/89/655128889.db2.gz UWLNYIQTQZHRQG-UHFFFAOYSA-N 1 0 382.302 2.943 20 0 GFADRO C[N@@H+]1CCC[C@H](CNC(=O)c2ccc(F)cc2I)C1 ZINC000108340040 655131273 /nfs/dbraw/zinc/13/12/73/655131273.db2.gz GUZHQCMWLWJFPL-SNVBAGLBSA-N 1 0 376.213 2.502 20 0 GFADRO C[C@@H]([NH2+]CCNS(=O)(=O)Cc1ccon1)c1ccc(SC(F)F)cc1 ZINC000162422153 655131917 /nfs/dbraw/zinc/13/19/17/655131917.db2.gz FRTFEKKVIIYHTK-LLVKDONJSA-N 1 0 391.465 2.760 20 0 GFADRO C[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2cc(Br)ccc2Cl)C1 ZINC000108406330 655132317 /nfs/dbraw/zinc/13/23/17/655132317.db2.gz OGVJZDGBOGZZFC-JTQLQIEISA-N 1 0 381.723 2.723 20 0 GFADRO Cc1cc(Br)cn2c(CN3CC[C@@H](C[NH+]4CCOCC4)C3)cnc12 ZINC000273160562 655133223 /nfs/dbraw/zinc/13/32/23/655133223.db2.gz KJVNEEUPWBYQHX-HNNXBMFYSA-N 1 0 393.329 2.559 20 0 GFADRO O=C(NCCOc1ccc(Br)cc1)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000108566885 655134657 /nfs/dbraw/zinc/13/46/57/655134657.db2.gz FSRFHIAGSNXFMW-HNNXBMFYSA-N 1 0 382.302 2.611 20 0 GFADRO C[N@@H+]1CCC[C@H]2CN(Cn3c4cc(Br)ccc4oc3=O)CC[C@@H]21 ZINC000164665599 655137910 /nfs/dbraw/zinc/13/79/10/655137910.db2.gz CZPJXSITNJBDFY-JSGCOSHPSA-N 1 0 380.286 2.731 20 0 GFADRO CC[C@@H]([NH2+]CC(=O)Nc1ccc(S(N)(=O)=O)cc1)c1ccc(Cl)s1 ZINC000273547032 655147562 /nfs/dbraw/zinc/14/75/62/655147562.db2.gz WTZHXWCZZRJZST-GFCCVEGCSA-N 1 0 387.914 2.728 20 0 GFADRO C[NH+](C)CCCCNC(=O)c1ncc(Br)cc1Br ZINC000273604470 655150437 /nfs/dbraw/zinc/15/04/37/655150437.db2.gz MDQYTFVIVWEETH-UHFFFAOYSA-N 1 0 379.096 2.678 20 0 GFADRO CC(C)[N@@H+]1CCCN(C(=O)Nc2ccncc2I)CC1 ZINC000273658832 655152817 /nfs/dbraw/zinc/15/28/17/655152817.db2.gz BZKHVZSLZBCCBU-UHFFFAOYSA-N 1 0 388.253 2.634 20 0 GFADRO CC[NH+]1CCC(NC(=O)NCc2cn3cc(Br)cc(C)c3n2)CC1 ZINC000273683832 655153977 /nfs/dbraw/zinc/15/39/77/655153977.db2.gz MRVFOSAVNOGOPE-UHFFFAOYSA-N 1 0 394.317 2.689 20 0 GFADRO CCCN(CC[NH+](CC)CC)C(=O)c1nccn2c(Br)cnc12 ZINC000273999442 655168215 /nfs/dbraw/zinc/16/82/15/655168215.db2.gz DUKWVDNNGLBWFL-UHFFFAOYSA-N 1 0 382.306 2.686 20 0 GFADRO COCCC[N@H+](C)CCNS(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000173430682 655171908 /nfs/dbraw/zinc/17/19/08/655171908.db2.gz BFETYDNUOXZVMD-UHFFFAOYSA-N 1 0 388.839 2.605 20 0 GFADRO CS[C@@H]1CN([C@H](C)C(=O)N2CCc3sccc3C2)C[C@@H]1[NH+]1CCCC1 ZINC000274093367 655172665 /nfs/dbraw/zinc/17/26/65/655172665.db2.gz RYJQVKVEPMOELN-UWWQBHOKSA-N 1 0 379.595 2.533 20 0 GFADRO CC[N@@H+]1CCCC[C@H]1CNC(=O)NCC(=O)Nc1ccc(Br)cc1 ZINC000111510260 655173501 /nfs/dbraw/zinc/17/35/01/655173501.db2.gz GTTRUPCOODFTNR-HNNXBMFYSA-N 1 0 397.317 2.561 20 0 GFADRO C[NH+](C)C[C@H]1CCN(C(=O)CCNc2ncc(C(F)(F)F)cc2Cl)C1 ZINC000173746746 655179447 /nfs/dbraw/zinc/17/94/47/655179447.db2.gz FSEKCRAHQYXNIZ-LLVKDONJSA-N 1 0 378.826 2.966 20 0 GFADRO COc1cc(C[NH2+]CC(C)(C)CCO)cc(I)c1OC ZINC000173873402 655183668 /nfs/dbraw/zinc/18/36/68/655183668.db2.gz CWUVPEAVROWELZ-UHFFFAOYSA-N 1 0 393.265 2.807 20 0 GFADRO CC[NH+](CC)C[C@@H]1CCN(S(=O)(=O)c2ccccc2OC(F)(F)F)C1 ZINC000173917374 655185418 /nfs/dbraw/zinc/18/54/18/655185418.db2.gz ZOBHZJGTZBNAIY-ZDUSSCGKSA-N 1 0 380.432 2.938 20 0 GFADRO CC[NH+](CC)C[C@@H]1CCN(S(=O)(=O)c2cccc(OC(F)(F)F)c2)C1 ZINC000173919824 655185530 /nfs/dbraw/zinc/18/55/30/655185530.db2.gz DCQFCZLEONJBKV-ZDUSSCGKSA-N 1 0 380.432 2.938 20 0 GFADRO CC[NH+](CC)C[C@H]1CCN(S(=O)(=O)c2ccc(Br)cc2)C1 ZINC000173919572 655185593 /nfs/dbraw/zinc/18/55/93/655185593.db2.gz PBYVVDVVKSPGCL-CYBMUJFWSA-N 1 0 375.332 2.802 20 0 GFADRO NC(=O)[C@@]1(c2ccccc2)CC[N@H+](C[C@H](O)c2ccccc2Br)C1 ZINC000839640346 661098031 /nfs/dbraw/zinc/09/80/31/661098031.db2.gz JVLAOFSNQWQCOM-HKUYNNGSSA-N 1 0 389.293 2.612 20 0 GFADRO C[C@@H](O)CN1CCN(C(=O)c2csc(-c3ccccc3Cl)n2)C[C@H]1C ZINC000174315680 655198667 /nfs/dbraw/zinc/19/86/67/655198667.db2.gz XXIZCNCNLJIICY-CHWSQXEVSA-N 1 0 379.913 2.991 20 0 GFADRO CC[NH+]1CCN([C@H](C)CNC(=O)c2cc(Cl)ccc2Br)CC1 ZINC000112916757 655199355 /nfs/dbraw/zinc/19/93/55/655199355.db2.gz GGDUWFRJDRJYED-GFCCVEGCSA-N 1 0 388.737 2.858 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)c2cccnc2Nc2ccc(Cl)c(Cl)c2)CCO1 ZINC000274754523 655200032 /nfs/dbraw/zinc/20/00/32/655200032.db2.gz HGFHMFUGYQGAEP-GFCCVEGCSA-N 1 0 381.263 2.932 20 0 GFADRO O=C1CCCN1[C@H]1CCC[N@@H+](C[C@H](O)c2ccc(Br)cc2)CC1 ZINC000839665451 661099301 /nfs/dbraw/zinc/09/93/01/661099301.db2.gz IAYWBTXXTPHCPB-IRXDYDNUSA-N 1 0 381.314 2.959 20 0 GFADRO C[C@H]1SCC[N@H+](CCC(=O)Nc2sc3c(c2C(N)=O)CCCC3)[C@H]1C ZINC000839497584 661087713 /nfs/dbraw/zinc/08/77/13/661087713.db2.gz OFZBCNRMPGXVAS-NWDGAFQWSA-N 1 0 381.567 2.880 20 0 GFADRO Cc1nc(C(=O)N2CC[C@H](C[NH+](C)C)C2)nn1-c1c(Cl)cccc1Cl ZINC000113453517 655210541 /nfs/dbraw/zinc/21/05/41/655210541.db2.gz UKQYCRKMGPLKJN-GFCCVEGCSA-N 1 0 382.295 2.906 20 0 GFADRO COC(=O)CC[N@H+](CC(=O)N(C)Cc1ccccc1Br)C(C)C ZINC000113507802 655211480 /nfs/dbraw/zinc/21/14/80/655211480.db2.gz VVKDPHOWNZEDNF-UHFFFAOYSA-N 1 0 385.302 2.681 20 0 GFADRO C[C@@H](NC(=O)C(=O)Nc1cc(Cl)c(N)c(Cl)c1)C(C)(C)C[NH+](C)C ZINC000839504277 661088209 /nfs/dbraw/zinc/08/82/09/661088209.db2.gz LHHHIIGDKONGGL-SECBINFHSA-N 1 0 375.300 2.607 20 0 GFADRO CS[C@@H]1CN(C[C@H](O)c2cccc(Br)c2)C[C@@H]1[NH+]1CCCC1 ZINC000275093234 655216461 /nfs/dbraw/zinc/21/64/61/655216461.db2.gz PKZSFXWYVDABFI-YESZJQIVSA-N 1 0 385.371 2.994 20 0 GFADRO COc1cc(S(=O)(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)ccc1Br ZINC000175305730 655219262 /nfs/dbraw/zinc/21/92/62/655219262.db2.gz NKMZZZIAOPEQJO-NWDGAFQWSA-N 1 0 391.331 2.561 20 0 GFADRO CS[C@H]1CN(CCCS(=O)(=O)c2ccc(C)cc2)C[C@@H]1[NH+]1CCCC1 ZINC000275143673 655219349 /nfs/dbraw/zinc/21/93/49/655219349.db2.gz XHKHKBALANQIIB-OALUTQOASA-N 1 0 382.595 2.670 20 0 GFADRO CS[C@H]1CN(CCCS(=O)(=O)c2ccc(C)cc2)C[C@H]1[NH+]1CCCC1 ZINC000275143663 655219396 /nfs/dbraw/zinc/21/93/96/655219396.db2.gz XHKHKBALANQIIB-MOPGFXCFSA-N 1 0 382.595 2.670 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1cc(=O)[nH]c2c(Br)cccc12 ZINC000175519369 655222126 /nfs/dbraw/zinc/22/21/26/655222126.db2.gz ZLZDOFSXTZIPID-GFCCVEGCSA-N 1 0 392.297 2.895 20 0 GFADRO C[C@@H](CNC(=O)Cc1csc(-c2ccc(Cl)s2)n1)N1CC[NH+](C)CC1 ZINC000114384484 655223031 /nfs/dbraw/zinc/22/30/31/655223031.db2.gz RSABFAQWERWSON-LBPRGKRZSA-N 1 0 398.985 2.820 20 0 GFADRO CC(C)C[C@@H](CNC(=O)c1cc(=O)c2cc(Br)ccc2[nH]1)[NH+](C)C ZINC000114376544 655223073 /nfs/dbraw/zinc/22/30/73/655223073.db2.gz JTBJGOSAVWOYJO-ZDUSSCGKSA-N 1 0 394.313 2.997 20 0 GFADRO O=C(NCCSc1ccc(Cl)cc1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000175616673 655223785 /nfs/dbraw/zinc/22/37/85/655223785.db2.gz ZLYNPWBAVQGWRD-OAHLLOKOSA-N 1 0 383.945 2.796 20 0 GFADRO C[NH+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CCOc3ccc(Br)cc32)C1 ZINC000275344933 655230918 /nfs/dbraw/zinc/23/09/18/655230918.db2.gz VOPWQKJGAXUHCN-SWLSCSKDSA-N 1 0 382.302 2.866 20 0 GFADRO CC[NH+](CC)CCN(CCOC)C(=O)C(=O)c1ccc(Br)s1 ZINC000839701782 661100855 /nfs/dbraw/zinc/10/08/55/661100855.db2.gz ZZSXPFFBRLLAPW-UHFFFAOYSA-N 1 0 391.331 2.510 20 0 GFADRO CC1CC[NH+]([C@H](CNC(=O)NC[C@]2(O)CCSC2)c2cccs2)CC1 ZINC000176150536 655237418 /nfs/dbraw/zinc/23/74/18/655237418.db2.gz GZOXWOAUGOTYOQ-CRAIPNDOSA-N 1 0 383.583 2.688 20 0 GFADRO C[NH+](C)[C@@H]1CCN(c2ccc(NC(=O)c3nc(Br)cs3)nc2)C1 ZINC000275611201 655244070 /nfs/dbraw/zinc/24/40/70/655244070.db2.gz KXXWUZRJBXMWIY-LLVKDONJSA-N 1 0 396.314 2.693 20 0 GFADRO O=C(c1cnn(-c2ccc(Br)cc2)c1)N1CCC[N@@H+](C2CC2)CC1 ZINC000116194733 655245810 /nfs/dbraw/zinc/24/58/10/655245810.db2.gz UYHYZQVQJFJXKO-UHFFFAOYSA-N 1 0 389.297 2.945 20 0 GFADRO CC1CC[NH+](C[C@H](O)CNC(=O)CCc2cccc(Br)c2)CC1 ZINC000116448789 655247857 /nfs/dbraw/zinc/24/78/57/655247857.db2.gz WWFPSFRXHAMZFR-QGZVFWFLSA-N 1 0 383.330 2.591 20 0 GFADRO O=C(Cc1csc(-c2ccc(Cl)cc2)n1)NCC[N@@H+]1CCCOCC1 ZINC000275752184 655249553 /nfs/dbraw/zinc/24/95/53/655249553.db2.gz CWMPMPXNIDGOAC-UHFFFAOYSA-N 1 0 379.913 2.845 20 0 GFADRO C[NH+](C)C1(CNC(=O)C(=O)Nc2cccc(C3SCCS3)c2)CCC1 ZINC000275815967 655252253 /nfs/dbraw/zinc/25/22/53/655252253.db2.gz KEIKRAZYYTXLPB-UHFFFAOYSA-N 1 0 379.551 2.704 20 0 GFADRO C[NH+](C)C1(CNC(=O)C(=O)Nc2ccc(Br)c(Cl)c2)CCC1 ZINC000275909151 655255470 /nfs/dbraw/zinc/25/54/70/655255470.db2.gz VEYOGKZDADBMEY-UHFFFAOYSA-N 1 0 388.693 2.642 20 0 GFADRO CCO[C@@H](CC[NH+](C)C)CNC(=O)[C@H](C)Oc1cccc(Br)c1 ZINC000176903052 655259976 /nfs/dbraw/zinc/25/99/76/655259976.db2.gz LMBRTEQXTMXTIE-BBRMVZONSA-N 1 0 387.318 2.689 20 0 GFADRO COc1ccc(Br)c(NC(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)c1 ZINC000176946150 655263169 /nfs/dbraw/zinc/26/31/69/655263169.db2.gz OQARNQQBPSTCGP-CYBMUJFWSA-N 1 0 398.301 2.644 20 0 GFADRO Cc1csc(C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@H]32)c1I ZINC000276139211 655264300 /nfs/dbraw/zinc/26/43/00/655264300.db2.gz CBRSDAYKOGPEFT-GHMZBOCLSA-N 1 0 390.290 2.827 20 0 GFADRO COCCOCCOCC[N@H+](C)Cc1cc(Br)ccc1OC ZINC000276220174 655267644 /nfs/dbraw/zinc/26/76/44/655267644.db2.gz ISRFJDZFZROYLL-UHFFFAOYSA-N 1 0 376.291 2.569 20 0 GFADRO C[NH+](C)C[C@@H]1CCN(C(=O)c2nn(-c3ccc(F)cc3)cc2Br)C1 ZINC000117805266 655267926 /nfs/dbraw/zinc/26/79/26/655267926.db2.gz WQVSGSNJSZNYAI-LBPRGKRZSA-N 1 0 395.276 2.798 20 0 GFADRO COc1ccsc1S(=O)(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000177550900 655280893 /nfs/dbraw/zinc/28/08/93/655280893.db2.gz SXBNPASCECVGGS-UHFFFAOYSA-N 1 0 380.535 2.947 20 0 GFADRO COCCN(C)c1ccc(C[NH2+][C@H](CO)c2ccc(Br)cc2)cn1 ZINC000276643382 655282155 /nfs/dbraw/zinc/28/21/55/655282155.db2.gz RKAAQTRMRXUCEG-QGZVFWFLSA-N 1 0 394.313 2.750 20 0 GFADRO CC[NH+]1CCN([C@H]2CCN(CC(=O)Nc3cccc(Cl)c3Cl)C2)CC1 ZINC000118835002 655282786 /nfs/dbraw/zinc/28/27/86/655282786.db2.gz SZTPXTLHMRYICP-AWEZNQCLSA-N 1 0 385.339 2.644 20 0 GFADRO O=C(NCC[N@@H+]1CCCOCC1)Nc1cccc(Cl)c1Br ZINC000276729033 655285183 /nfs/dbraw/zinc/28/51/83/655285183.db2.gz IBFOOEYVUNOVRQ-UHFFFAOYSA-N 1 0 376.682 2.946 20 0 GFADRO C[C@@H](CNC(=O)[C@H]([NH3+])Cc1ccccc1)Oc1ccccc1Br ZINC000118983390 655285736 /nfs/dbraw/zinc/28/57/36/655285736.db2.gz CKQLDWMOZWERMV-XJKSGUPXSA-N 1 0 377.282 2.903 20 0 GFADRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1cc(Br)nn1C ZINC000276934299 655294016 /nfs/dbraw/zinc/29/40/16/655294016.db2.gz ACGOOQJMVWHNNY-UKRRQHHQSA-N 1 0 391.313 2.823 20 0 GFADRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(F)cc2Br)C1 ZINC000178006021 655295158 /nfs/dbraw/zinc/29/51/58/655295158.db2.gz KDATWLNKBKJIBZ-NEPJUHHUSA-N 1 0 386.265 2.516 20 0 GFADRO CC(C)(C)S(=O)(=O)N1CCC([NH2+]Cc2cncc(Br)c2)CC1 ZINC000276987299 655296759 /nfs/dbraw/zinc/29/67/59/655296759.db2.gz UAPKASNSBXSEPY-UHFFFAOYSA-N 1 0 390.347 2.526 20 0 GFADRO O=C(c1ccc(C2SCCS2)cc1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000178108686 655297936 /nfs/dbraw/zinc/29/79/36/655297936.db2.gz LIIAUGYWNXWADH-OAHLLOKOSA-N 1 0 378.563 2.960 20 0 GFADRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)Cc2ccccc2I)C1 ZINC000119313316 655298203 /nfs/dbraw/zinc/29/82/03/655298203.db2.gz RANOQLZCUASRFU-KGLIPLIRSA-N 1 0 386.277 2.823 20 0 GFADRO COC1(C[NH2+]CCC(=O)Nc2cc(Br)ccc2C)CCOCC1 ZINC000277100091 655303384 /nfs/dbraw/zinc/30/33/84/655303384.db2.gz WIAMZQSJSIDMDX-UHFFFAOYSA-N 1 0 385.302 2.871 20 0 GFADRO C[C@H]([NH2+]CCSC(F)(F)F)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000178417801 655303340 /nfs/dbraw/zinc/30/33/40/655303340.db2.gz SJWRZPQNKDYAQB-LBPRGKRZSA-N 1 0 398.472 2.611 20 0 GFADRO C[NH+](C)[C@@H]1CCCN(S(=O)(=O)c2cc(F)c(Br)cc2F)CC1 ZINC000277102600 655303620 /nfs/dbraw/zinc/30/36/20/655303620.db2.gz WHZYCEGPIBPMSP-SNVBAGLBSA-N 1 0 397.285 2.832 20 0 GFADRO [NH3+]C[C@H]1CCN(C(=O)CCCCc2ccc(I)cc2)C1 ZINC000178580918 655305249 /nfs/dbraw/zinc/30/52/49/655305249.db2.gz ROFJNSRWAXGEFV-CQSZACIVSA-N 1 0 386.277 2.811 20 0 GFADRO CC(C)Cc1ncc(C[NH2+]CC2CCN(S(=O)(=O)C(F)F)CC2)s1 ZINC000178790463 655309829 /nfs/dbraw/zinc/30/98/29/655309829.db2.gz HADQKIKFKMQIES-UHFFFAOYSA-N 1 0 381.514 2.696 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CNC(=O)Cc1csc(NC(=O)c2cccs2)n1 ZINC000119701154 655311731 /nfs/dbraw/zinc/31/17/31/655311731.db2.gz KMTHXVJGGZBXDM-ZDUSSCGKSA-N 1 0 378.523 2.600 20 0 GFADRO C[NH+](C)CCN(Cc1ccccn1)C(=O)Nc1cccnc1Br ZINC000119732111 655312878 /nfs/dbraw/zinc/31/28/78/655312878.db2.gz CNZILEYRPJWUHG-UHFFFAOYSA-N 1 0 378.274 2.835 20 0 GFADRO C[C@@H]1C[N@H+](CCCNC(=O)c2cc(Br)cnc2Cl)CCCO1 ZINC000277324116 655312944 /nfs/dbraw/zinc/31/29/44/655312944.db2.gz AEJGXXACYPOTOD-LLVKDONJSA-N 1 0 390.709 2.728 20 0 GFADRO C[NH+](C)[C@@H]1CCCN(C(=O)c2cc(I)ccc2O)CC1 ZINC000277407868 655317719 /nfs/dbraw/zinc/31/77/19/655317719.db2.gz ZAORBDFATOQCKL-GFCCVEGCSA-N 1 0 388.249 2.553 20 0 GFADRO CC[NH+]1CCN([C@@H](C)CNC(=O)C[C@@H](O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000179882631 655319021 /nfs/dbraw/zinc/31/90/21/655319021.db2.gz OGHMRRUAVXPSNW-SUMWQHHRSA-N 1 0 388.339 2.559 20 0 GFADRO CC[N@H+](CCO)[C@H](C)C(=O)Nc1ccc(Br)cc1Br ZINC000119964445 655323146 /nfs/dbraw/zinc/32/31/46/655323146.db2.gz JZZZXJFKFKQQIB-SECBINFHSA-N 1 0 394.107 2.853 20 0 GFADRO O=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)C(=O)Nc1ccccc1Br ZINC000277521831 655324432 /nfs/dbraw/zinc/32/44/32/655324432.db2.gz OBKGRQUDEBTPMT-ZDUSSCGKSA-N 1 0 380.286 2.521 20 0 GFADRO COc1cc([C@H](C)[NH2+]CCS(=O)(=O)NC(C)C)ccc1SC(F)F ZINC000180474879 655327102 /nfs/dbraw/zinc/32/71/02/655327102.db2.gz AVNPRWSWTDBQJO-NSHDSACASA-N 1 0 382.498 2.988 20 0 GFADRO Cc1cc(NC(=O)CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)ccc1Br ZINC000279162982 655327239 /nfs/dbraw/zinc/32/72/39/655327239.db2.gz ILPCYGGKPASOBH-STQMWFEESA-N 1 0 382.302 2.543 20 0 GFADRO O=C(NNc1cc[nH+]cc1)c1cc(I)c(F)cc1F ZINC000180510646 655327716 /nfs/dbraw/zinc/32/77/16/655327716.db2.gz INIUOZRARCQDHQ-UHFFFAOYSA-N 1 0 375.116 2.721 20 0 GFADRO CC(C)C[NH+]1CCN(CN2CC[C@H](c3cccc(Br)c3)C2=O)CC1 ZINC000839953244 661120088 /nfs/dbraw/zinc/12/00/88/661120088.db2.gz PFGUWGOLUSPPDE-GOSISDBHSA-N 1 0 394.357 2.996 20 0 GFADRO C[C@H]([NH2+]CCCC(C)(C)CO)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000280743207 655329892 /nfs/dbraw/zinc/32/98/92/655329892.db2.gz PGIQGPGYTHSGKQ-NSHDSACASA-N 1 0 393.347 2.546 20 0 GFADRO COc1cc([C@@H](C)[NH2+]CC2CCN(S(=O)(=O)C(F)F)CC2)ccc1F ZINC000180794104 655330221 /nfs/dbraw/zinc/33/02/21/655330221.db2.gz WJYCWZMLEVZANO-LLVKDONJSA-N 1 0 380.432 2.749 20 0 GFADRO C[C@H]([NH2+]C[C@H]1CCn2ncc(C(N)=O)c2C1)c1ccc(Br)cc1F ZINC000280967417 655330929 /nfs/dbraw/zinc/33/09/29/655330929.db2.gz LABIPSFRGLUFSG-QWRGUYRKSA-N 1 0 395.276 2.797 20 0 GFADRO O=C(N[C@@H]1CCC[NH2+]C1)c1cnn(-c2ncccc2Cl)c1C(F)(F)Cl ZINC000120206093 655331071 /nfs/dbraw/zinc/33/10/71/655331071.db2.gz TXRJQZWACSRYPL-SECBINFHSA-N 1 0 390.221 2.691 20 0 GFADRO CS(=O)(=O)N1CCC[C@@H]1C[NH2+]CC1=Cc2cc(Cl)cc(Cl)c2OC1 ZINC000120219965 655331653 /nfs/dbraw/zinc/33/16/53/655331653.db2.gz FCFFEQUPQKHCKB-CQSZACIVSA-N 1 0 391.320 2.783 20 0 GFADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2cnnn2-c2c(Cl)cccc2Cl)C1 ZINC000281611591 655336268 /nfs/dbraw/zinc/33/62/68/655336268.db2.gz ZECRDQDEFRGINR-LBPRGKRZSA-N 1 0 382.295 2.988 20 0 GFADRO C[N@@H+]1CCN(CCNC(=O)c2cc(Br)ccc2Cl)CC1(C)C ZINC000281776491 655336838 /nfs/dbraw/zinc/33/68/38/655336838.db2.gz MOZYGJDZCOHHFR-UHFFFAOYSA-N 1 0 388.737 2.858 20 0 GFADRO C[C@@H]1CCC[N@@H+]1C1CCN(C(=O)c2ccncc2I)CC1 ZINC000120542023 655338459 /nfs/dbraw/zinc/33/84/59/655338459.db2.gz IDYZKAQFHRBEIF-GFCCVEGCSA-N 1 0 399.276 2.775 20 0 GFADRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)Cc1cc2c(cc1Br)OCCO2 ZINC000120611848 655340533 /nfs/dbraw/zinc/34/05/33/655340533.db2.gz KOTFYVWQHZKBII-DOMZBBRYSA-N 1 0 397.313 2.561 20 0 GFADRO CC[C@@H]([NH2+]CCOCCS(C)(=O)=O)c1cc(F)cc(Br)c1 ZINC000181991842 655341816 /nfs/dbraw/zinc/34/18/16/655341816.db2.gz BPHHCRMXCUSZEA-CQSZACIVSA-N 1 0 382.295 2.690 20 0 GFADRO C[NH2+]CCN(C)C(=O)c1ccc(NC(=O)c2ccc(Br)o2)cc1 ZINC000120673148 655342020 /nfs/dbraw/zinc/34/20/20/655342020.db2.gz GHMIIUVDZPKQCQ-UHFFFAOYSA-N 1 0 380.242 2.586 20 0 GFADRO O=C1[C@@H](c2cccc(Br)c2)CCN1CN1CC[C@H]([NH+]2CCCC2)C1 ZINC000839988116 661122638 /nfs/dbraw/zinc/12/26/38/661122638.db2.gz UBLKOAVBPZZOOL-ZWKOTPCHSA-N 1 0 392.341 2.893 20 0 GFADRO C[NH+]1CCN(CCCNC(=O)c2cccc3cccc(Br)c32)CC1 ZINC000284997908 655342625 /nfs/dbraw/zinc/34/26/25/655342625.db2.gz HWJYHFOYVBKSNA-UHFFFAOYSA-N 1 0 390.325 2.970 20 0 GFADRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N(C)CC2CC[NH+](C)CC2)c1 ZINC000182535062 655345229 /nfs/dbraw/zinc/34/52/29/655345229.db2.gz DDFZKVOSZHXYLC-UHFFFAOYSA-N 1 0 375.878 2.519 20 0 GFADRO C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CC(C)(C)N1CCOCC1 ZINC000120847558 655345367 /nfs/dbraw/zinc/34/53/67/655345367.db2.gz JDGYISMDLLUUFZ-AWEZNQCLSA-N 1 0 398.345 2.867 20 0 GFADRO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CC(C)(C)N1CCOCC1 ZINC000120847721 655345371 /nfs/dbraw/zinc/34/53/71/655345371.db2.gz JDGYISMDLLUUFZ-CQSZACIVSA-N 1 0 398.345 2.867 20 0 GFADRO CCC[N@H+](CC)C[C@@H](C)NC(=O)NCc1ccc(S(C)(=O)=O)c(Cl)c1 ZINC000292533184 655352264 /nfs/dbraw/zinc/35/22/64/655352264.db2.gz PRLMKIOHMASBAM-CYBMUJFWSA-N 1 0 389.949 2.663 20 0 GFADRO O=C(c1ccc(I)cc1Cl)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000292847275 655355277 /nfs/dbraw/zinc/35/52/77/655355277.db2.gz CSABHBGGZIEDNP-RNCFNFMXSA-N 1 0 390.652 2.769 20 0 GFADRO OCC1([C@H]([NH2+]Cc2cc3c(c(Br)c2)OCO3)C2CC2)CCOCC1 ZINC000293644824 655360749 /nfs/dbraw/zinc/36/07/49/655360749.db2.gz MMFZVPJRMDQBBX-QGZVFWFLSA-N 1 0 398.297 2.835 20 0 GFADRO Cn1ncc(Br)c1C(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000296147983 655368005 /nfs/dbraw/zinc/36/80/05/655368005.db2.gz TUSWNTHZDJRFEL-ZDUSSCGKSA-N 1 0 385.693 2.869 20 0 GFADRO Cc1cc2c(cc1C)[C@@H]([NH2+]C1CCN(CCS(C)(=O)=O)CC1)CCS2 ZINC000187189960 655372952 /nfs/dbraw/zinc/37/29/52/655372952.db2.gz POBVLTKQPYTHPJ-SFHVURJKSA-N 1 0 382.595 2.939 20 0 GFADRO CCC(CC)(C[NH2+][C@@H](C)C1CCS(=O)(=O)CC1)NC(=O)OC(C)(C)C ZINC000187267544 655373247 /nfs/dbraw/zinc/37/32/47/655373247.db2.gz COLIHINJRLQMMS-AWEZNQCLSA-N 1 0 376.563 2.873 20 0 GFADRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)c1cnc(Br)c(Br)c1 ZINC000311685011 655379380 /nfs/dbraw/zinc/37/93/80/655379380.db2.gz NBSLFRNWCCFYJX-SNVBAGLBSA-N 1 0 391.107 2.773 20 0 GFADRO C[C@H](C[C@@H]1COCCN1C(=O)OC(C)(C)C)[NH2+]C[C@@H]1CSCCS1 ZINC000310031949 655379000 /nfs/dbraw/zinc/37/90/00/655379000.db2.gz SGMVJCCCKCQANS-RBSFLKMASA-N 1 0 376.588 2.839 20 0 GFADRO O[C@H](C[NH2+]CCn1cc(Br)cn1)c1cccc(Br)c1 ZINC000311770378 655379589 /nfs/dbraw/zinc/37/95/89/655379589.db2.gz JINGRSUWJOCOOF-CYBMUJFWSA-N 1 0 389.091 2.731 20 0 GFADRO COc1ccc(Br)cc1S(=O)(=O)NC[C@H](C)[NH+]1CCCCC1 ZINC000314932139 655380817 /nfs/dbraw/zinc/38/08/17/655380817.db2.gz PFRUJHTVHNVZEZ-LBPRGKRZSA-N 1 0 391.331 2.610 20 0 GFADRO Cc1cc(Cl)c(S(=O)(=O)N(C)CC2([NH+](C)C)CCC2)cc1[N+](=O)[O-] ZINC000189127966 655384810 /nfs/dbraw/zinc/38/48/10/655384810.db2.gz FDCXZIDWXOOMNA-UHFFFAOYSA-N 1 0 375.878 2.661 20 0 GFADRO Cc1c(C(=O)N2CC[C@]3(CCC[NH2+]3)C2)cnn1-c1ccc(Br)cc1 ZINC000333843869 655388223 /nfs/dbraw/zinc/38/82/23/655388223.db2.gz OUMQZPFCJXJJIS-GOSISDBHSA-N 1 0 389.297 2.911 20 0 GFADRO O=C1CN(Cc2cccc(Br)c2)C(=O)N1[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000349237897 655388739 /nfs/dbraw/zinc/38/87/39/655388739.db2.gz NJROJSLXASRKSC-HZPDHXFCSA-N 1 0 392.297 2.840 20 0 GFADRO CC[N@H+](CCN1C(=O)CN(Cc2cccc(Br)c2)C1=O)C1CC1 ZINC000349389728 655389958 /nfs/dbraw/zinc/38/99/58/655389958.db2.gz GSNLRSMVTBEPER-UHFFFAOYSA-N 1 0 380.286 2.698 20 0 GFADRO COc1ccc([C@H]2NC(=O)N(CC3([NH+](C)C)CCC3)C2=O)cc1Br ZINC000349437509 655390224 /nfs/dbraw/zinc/39/02/24/655390224.db2.gz JCQIYMLZSFLESZ-CQSZACIVSA-N 1 0 396.285 2.535 20 0 GFADRO CC(C)[C@H]1C[N@H+](Cn2nc(Br)c(=O)c3ccccc32)CCCO1 ZINC000840096390 661132328 /nfs/dbraw/zinc/13/23/28/661132328.db2.gz PAJRLYWOMXGJSY-OAHLLOKOSA-N 1 0 380.286 2.863 20 0 GFADRO C[C@@H]1[C@H](N2CCOCC2)CCN1C(=O)CCc1cc(Br)cs1 ZINC000365686901 655394723 /nfs/dbraw/zinc/39/47/23/655394723.db2.gz LFPFUFBWNRGQDU-IUODEOHRSA-N 1 0 387.343 2.765 20 0 GFADRO O=c1[nH]c(CN2CC[NH+]([C@H]3CCSC3)CC2)nc2sc3c(c21)CCC3 ZINC000365857602 655395597 /nfs/dbraw/zinc/39/55/97/655395597.db2.gz AVBOCRUOJVDPBL-LBPRGKRZSA-N 1 0 376.551 2.509 20 0 GFADRO COCc1c(Br)cccc1NC(=O)NC[C@H]1CN(C2CC2)CCO1 ZINC000366579990 655400037 /nfs/dbraw/zinc/40/00/37/655400037.db2.gz LKYWILRRMRBNRO-ZDUSSCGKSA-N 1 0 398.301 2.580 20 0 GFADRO CC(C)(O)C[N@@H+]1CCCN(C(=O)[C@@H]2C[C@H]2c2ccc(Br)cc2)CC1 ZINC000366686502 655400587 /nfs/dbraw/zinc/40/05/87/655400587.db2.gz MFDPJMRKSKOKQE-DLBZAZTESA-N 1 0 395.341 2.858 20 0 GFADRO Cc1nc(CN2CCC[C@H]([NH2+][C@@H](C)c3ncc(Br)s3)C2)no1 ZINC000369519557 655401487 /nfs/dbraw/zinc/40/14/87/655401487.db2.gz MPXRPXRKXAOJKF-ONGXEEELSA-N 1 0 386.319 2.912 20 0 GFADRO O=C(c1ccco1)N1CCC([NH2+]C[C@@H](O)c2cccc(Br)c2)CC1 ZINC000374756472 655401779 /nfs/dbraw/zinc/40/17/79/655401779.db2.gz AHUCGHDUKYNDQD-MRXNPFEDSA-N 1 0 393.281 2.970 20 0 GFADRO O=c1oc2cc(F)c(Br)cc2n1CN1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000192160646 655403047 /nfs/dbraw/zinc/40/30/47/655403047.db2.gz RGYSQKKFMFSKBD-LBPRGKRZSA-N 1 0 398.276 2.871 20 0 GFADRO Brc1ccc(CN2CC[C@]3(CCC[NH2+]3)C2)c(N2CCOCC2)c1 ZINC000415146595 655403617 /nfs/dbraw/zinc/40/36/17/655403617.db2.gz ZFKNMSBYKZLXNV-GOSISDBHSA-N 1 0 380.330 2.614 20 0 GFADRO [NH3+]C1(CNC(=O)N[C@H](CCO)c2ccccc2Br)CCCCC1 ZINC000418319945 655405430 /nfs/dbraw/zinc/40/54/30/655405430.db2.gz PGTDKOTWMRFXRQ-OAHLLOKOSA-N 1 0 384.318 2.833 20 0 GFADRO COCCN(Cc1ccc(Br)s1)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000418347454 655405770 /nfs/dbraw/zinc/40/57/70/655405770.db2.gz VQGAIZHEIKNHOJ-LBPRGKRZSA-N 1 0 390.347 2.668 20 0 GFADRO C[C@@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)C(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000423107194 655407810 /nfs/dbraw/zinc/40/78/10/655407810.db2.gz DRSYZURGGBCGPU-KPZWWZAWSA-N 1 0 384.307 2.867 20 0 GFADRO O=C(c1cc(F)c(F)cc1I)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000424024879 655407892 /nfs/dbraw/zinc/40/78/92/655407892.db2.gz HXXPSBVHHVTSHL-AWEZNQCLSA-N 1 0 392.187 2.538 20 0 GFADRO [NH3+]C[C@H]1CCN(S(=O)(=O)c2cc(Br)c(Cl)cc2Cl)C1 ZINC000193252752 655409000 /nfs/dbraw/zinc/40/90/00/655409000.db2.gz YKGDLUGJLFNOGW-SSDOTTSWSA-N 1 0 388.114 2.725 20 0 GFADRO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)N[C@H]1CCC[NH2+][C@H]1C ZINC000193549093 655410959 /nfs/dbraw/zinc/41/09/59/655410959.db2.gz ZKSCAAJEQWESRU-GWCFXTLKSA-N 1 0 379.254 2.734 20 0 GFADRO C[C@H]([NH2+]CC1=Cc2cc(Br)ccc2OC1)C1(S(C)(=O)=O)CC1 ZINC000512894766 655418025 /nfs/dbraw/zinc/41/80/25/655418025.db2.gz LSSIZDGAKNPTHR-NSHDSACASA-N 1 0 386.311 2.780 20 0 GFADRO CC(C)(O)C[N@H+](Cc1cc2c(cc1Br)OCO2)C1CCOCC1 ZINC000530939325 655420601 /nfs/dbraw/zinc/42/06/01/655420601.db2.gz RBEAEPCHEKFDFK-UHFFFAOYSA-N 1 0 386.286 2.930 20 0 GFADRO COC[C@@H]([NH2+][C@H](C)C(=O)Nc1cccc(I)c1)C(C)C ZINC000541596140 655421269 /nfs/dbraw/zinc/42/12/69/655421269.db2.gz ITRBXTPQWRTQRU-BXUZGUMPSA-N 1 0 390.265 2.879 20 0 GFADRO C[S@](=O)C[C@H]([NH2+]CCCS(=O)(=O)c1ccc(F)cc1)c1ccccc1 ZINC000541614160 655421582 /nfs/dbraw/zinc/42/15/82/655421582.db2.gz NSBOYWGJMHRTFY-UUOWRZLLSA-N 1 0 383.510 2.699 20 0 GFADRO CC(C)OCC[NH+]1CCC(NC(=O)c2ncsc2Br)CC1 ZINC000553163042 655421807 /nfs/dbraw/zinc/42/18/07/655421807.db2.gz DEKIMMMGMLUYIN-UHFFFAOYSA-N 1 0 376.320 2.525 20 0 GFADRO O=S1(=O)CC[C@@H]([NH2+]Cc2cc(Br)c(Br)s2)C1 ZINC000227762569 655422912 /nfs/dbraw/zinc/42/29/12/655422912.db2.gz RRHIPNGTPVXMMQ-ZCFIWIBFSA-N 1 0 389.134 2.550 20 0 GFADRO C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000560655592 655423576 /nfs/dbraw/zinc/42/35/76/655423576.db2.gz OHBSLEOTFLUBOO-DGCLKSJQSA-N 1 0 384.307 2.866 20 0 GFADRO Fc1cc(C[NH2+]CCCn2cc(Br)cn2)ccc1-n1cncn1 ZINC000567195846 655425112 /nfs/dbraw/zinc/42/51/12/655425112.db2.gz TUIPSANXBYCWPQ-UHFFFAOYSA-N 1 0 379.237 2.545 20 0 GFADRO CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)NCC([NH3+])(CC)CC)c1 ZINC000236965358 655425403 /nfs/dbraw/zinc/42/54/03/655425403.db2.gz ICUGADWHNSBMRS-UHFFFAOYSA-N 1 0 389.949 2.618 20 0 GFADRO COC(=O)c1cc(S(=O)(=O)N2CCCC[C@@H]2[C@@H](C)[NH3+])c(Cl)cc1Cl ZINC000237191282 655425779 /nfs/dbraw/zinc/42/57/79/655425779.db2.gz SBHWZGWLDIJLHV-NOZJJQNGSA-N 1 0 395.308 2.670 20 0 GFADRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)c1cccc(F)c1I ZINC000574187761 655426101 /nfs/dbraw/zinc/42/61/01/655426101.db2.gz RJQNKTSUUSHDMB-SNVBAGLBSA-N 1 0 376.213 2.597 20 0 GFADRO CC[C@H]1C[N@H+](C)CCN1C(=O)Cc1csc(NC(=O)c2cccs2)n1 ZINC000574234139 655426887 /nfs/dbraw/zinc/42/68/87/655426887.db2.gz ZJOVRGVIRHGXHH-ZDUSSCGKSA-N 1 0 378.523 2.552 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(Cn3[nH]c(-c4ccc(Br)cc4)nc3=S)C[C@@H]21 ZINC000840133915 661138810 /nfs/dbraw/zinc/13/88/10/661138810.db2.gz UUDUKMUWYKHRLX-OCCSQVGLSA-N 1 0 394.342 2.964 20 0 GFADRO C[C@@H]1C[C@@H]([NH2+]CCOc2ccc(S(=O)(=O)C(F)(F)F)cc2)C[C@H](C)O1 ZINC000245826466 655428560 /nfs/dbraw/zinc/42/85/60/655428560.db2.gz BAPSCZXTYRJAQX-CLLJXQQHSA-N 1 0 381.416 2.905 20 0 GFADRO C[N@@H+]1CCC[C@@H]2CN(Cc3cn(-c4ccccc4Br)nn3)CC[C@@H]21 ZINC000575034831 655434520 /nfs/dbraw/zinc/43/45/20/655434520.db2.gz DKFJPNQMGOQCQE-PBHICJAKSA-N 1 0 390.329 2.946 20 0 GFADRO O[C@@H](C[NH2+]CC[C@@H]1CCOC1)COc1ccc(Cl)cc1Br ZINC000575054106 655434787 /nfs/dbraw/zinc/43/47/87/655434787.db2.gz LUHZXNJGBJTUET-YPMHNXCESA-N 1 0 378.694 2.858 20 0 GFADRO Cc1sc(Br)cc1S(=O)(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250951267 655434982 /nfs/dbraw/zinc/43/49/82/655434982.db2.gz NABSCFRSYIYHLJ-MNOVXSKESA-N 1 0 379.345 2.724 20 0 GFADRO O=S(=O)(c1ccc(C(F)(F)F)cc1F)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000575802086 655437391 /nfs/dbraw/zinc/43/73/91/655437391.db2.gz CHXQYXFFWFXMEN-GFCCVEGCSA-N 1 0 380.407 2.855 20 0 GFADRO C[C@H]1CCN(S(=O)(=O)c2ccc(Cl)c(Br)c2)C[C@H]1C[NH3+] ZINC000261648661 655441605 /nfs/dbraw/zinc/44/16/05/655441605.db2.gz PSRHONVSCRDNCR-VHSXEESVSA-N 1 0 381.723 2.708 20 0 GFADRO C[C@H]1c2cc(Cl)cc(Cl)c2CCN1C(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000575985924 655441656 /nfs/dbraw/zinc/44/16/56/655441656.db2.gz FTTJLSQBTGRDCM-MEDUHNTESA-N 1 0 384.307 2.697 20 0 GFADRO C[C@]([NH3+])(C(=O)N[C@H]1COc2ccccc2C1)c1ccc(Br)cc1 ZINC000261801573 655442330 /nfs/dbraw/zinc/44/23/30/655442330.db2.gz RADZQKVOUWYPGM-CRAIPNDOSA-N 1 0 375.266 2.743 20 0 GFADRO CN(C)S(=O)(=O)N1CCC[N@H+](Cc2ccc(-c3ccccc3)s2)CC1 ZINC000576037654 655442417 /nfs/dbraw/zinc/44/24/17/655442417.db2.gz PRZWYXYMXVAPKW-UHFFFAOYSA-N 1 0 379.551 2.729 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCCCN1S(=O)(=O)c1cccc(Cl)c1Br ZINC000261816349 655442535 /nfs/dbraw/zinc/44/25/35/655442535.db2.gz NAIDWUWCEZGHPV-GXSJLCMTSA-N 1 0 381.723 2.993 20 0 GFADRO OC[C@@H](C[NH2+]C[C@@H](O)COc1ccc(Br)cc1)c1ccccc1 ZINC000576160163 655444687 /nfs/dbraw/zinc/44/46/87/655444687.db2.gz ZUDJTBJWJNSGKC-NVXWUHKLSA-N 1 0 380.282 2.555 20 0 GFADRO C[C@@H]1CN(C(=O)c2cc3cc(Cl)sc3[nH]2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000576335132 655445855 /nfs/dbraw/zinc/44/58/55/655445855.db2.gz RRUQDLTWLVOTFP-IUODEOHRSA-N 1 0 380.945 2.981 20 0 GFADRO [NH3+]C[C@@H]1CCN(C(=O)c2cc(I)cc(C(F)(F)F)c2)C1 ZINC000262536930 655446049 /nfs/dbraw/zinc/44/60/49/655446049.db2.gz PBVNICZIUXGJLC-QMMMGPOBSA-N 1 0 398.166 2.731 20 0 GFADRO CO[C@H]1C[C@H]2C[C@@H]([NH2+]CCNC(=O)c3cccc(Br)c3)C[C@H]2C1 ZINC000576626964 655449956 /nfs/dbraw/zinc/44/99/56/655449956.db2.gz CONBRIJHDMOQTL-MDBPOYHNSA-N 1 0 381.314 2.972 20 0 GFADRO COc1cc(C[NH2+][C@@H]2CCC[C@@H]3CN(C(C)=O)C[C@H]32)cc(Br)c1O ZINC000576853483 655453084 /nfs/dbraw/zinc/45/30/84/655453084.db2.gz DSSHSGNWIJPFPW-IIAWOOMASA-N 1 0 397.313 2.900 20 0 GFADRO CCS(=O)(=O)N1CCC([NH2+][C@H](Cc2ccncc2)c2cccs2)CC1 ZINC000576976726 655455662 /nfs/dbraw/zinc/45/56/62/655455662.db2.gz IADKKHPLHYRAIQ-QGZVFWFLSA-N 1 0 379.551 2.831 20 0 GFADRO CCS(=O)(=O)N1CCC([NH2+][C@@H](Cc2ccncc2)c2cccs2)CC1 ZINC000576976725 655455685 /nfs/dbraw/zinc/45/56/85/655455685.db2.gz IADKKHPLHYRAIQ-KRWDZBQOSA-N 1 0 379.551 2.831 20 0 GFADRO [NH3+]C1(C(=O)NCCOc2ccc3cc(Br)ccc3c2)CCOCC1 ZINC000577365161 655457707 /nfs/dbraw/zinc/45/77/07/655457707.db2.gz MGWPOQFZSAOCPU-UHFFFAOYSA-N 1 0 393.281 2.605 20 0 GFADRO [NH3+][C@@H]1CCC[C@H]2CN(CCS(=O)(=O)c3cc(Cl)ccc3Cl)C[C@@H]21 ZINC000577373858 655458145 /nfs/dbraw/zinc/45/81/45/655458145.db2.gz VRRDIOBAGTTWBC-CORIIIEPSA-N 1 0 377.337 2.826 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H]2CN(CCS(=O)(=O)c3cc(Cl)ccc3Cl)C[C@H]21 ZINC000577373861 655458175 /nfs/dbraw/zinc/45/81/75/655458175.db2.gz VRRDIOBAGTTWBC-UXIGCNINSA-N 1 0 377.337 2.826 20 0 GFADRO CCCOc1ccc(Br)cc1C[NH2+][C@@H]1CS(=O)(=O)C[C@@H]1C ZINC000577417182 655459106 /nfs/dbraw/zinc/45/91/06/655459106.db2.gz NDAYIBXVYSNYBZ-SMDDNHRTSA-N 1 0 376.316 2.761 20 0 GFADRO COc1ccc(CN2CCC[C@H](c3ccnc(N)n3)C2)c(Br)c1O ZINC000577423789 655459244 /nfs/dbraw/zinc/45/92/44/655459244.db2.gz QZHRZNYHKGAOFM-NSHDSACASA-N 1 0 393.285 2.915 20 0 GFADRO CCN(Cc1ccccc1Br)C(=O)N[C@@H](C)CN1CC[NH+](C)CC1 ZINC000264324556 655460995 /nfs/dbraw/zinc/46/09/95/655460995.db2.gz BTWKMYIKIMBBMF-HNNXBMFYSA-N 1 0 397.361 2.617 20 0 GFADRO [NH3+]CCCCC(=O)N1CCC(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000577509490 655461325 /nfs/dbraw/zinc/46/13/25/655461325.db2.gz HVGOJUPITLKGRA-UHFFFAOYSA-N 1 0 382.302 2.755 20 0 GFADRO NC(=O)[C@@H]1C[N@H+](Cn2ncc3c2cccc3Br)C[C@H]1c1ccccc1 ZINC000840176270 661144328 /nfs/dbraw/zinc/14/43/28/661144328.db2.gz DWAMTVWJVVKLMT-JKSUJKDBSA-N 1 0 399.292 2.957 20 0 GFADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)CSc1cc(Cl)ccc1Cl ZINC000264462071 655464333 /nfs/dbraw/zinc/46/43/33/655464333.db2.gz FBXMWQDKRDTUCB-ZDUSSCGKSA-N 1 0 390.336 2.542 20 0 GFADRO CC[NH2+]CCCNC(=O)N(CCOC)Cc1cc(Br)cs1 ZINC000577726477 655465799 /nfs/dbraw/zinc/46/57/99/655465799.db2.gz HFDPAJDLXHPWQR-UHFFFAOYSA-N 1 0 378.336 2.668 20 0 GFADRO CCCn1cc(C[N@@H+]2CCCN(c3ncc(Br)cn3)CC2)cn1 ZINC000264552800 655466059 /nfs/dbraw/zinc/46/60/59/655466059.db2.gz YWQBBASAKADXOY-UHFFFAOYSA-N 1 0 379.306 2.558 20 0 GFADRO [NH3+][C@@H]1CCCC[C@H]1CC(=O)NCCCNC(=O)c1ccc(Br)cc1 ZINC000577746568 655466421 /nfs/dbraw/zinc/46/64/21/655466421.db2.gz XLUYEAVBAGNFNJ-GOEBONIOSA-N 1 0 396.329 2.593 20 0 GFADRO COC[C@@]1(CNC(=O)CSc2ccc(Br)cc2C)CCC[NH2+]1 ZINC000577841382 655468252 /nfs/dbraw/zinc/46/82/52/655468252.db2.gz LJOBMEUTHIAZOB-INIZCTEOSA-N 1 0 387.343 2.734 20 0 GFADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)C1(c2cccc(Br)c2)CCCC1 ZINC000264741061 655469469 /nfs/dbraw/zinc/46/94/69/655469469.db2.gz KPKUJXPMWTXHST-QGZVFWFLSA-N 1 0 394.357 2.623 20 0 GFADRO C[C@H](NC(=O)NC[C@@H]1C[N@H+](C)CCN1C)c1cc(F)c(Cl)cc1Cl ZINC000264754299 655469778 /nfs/dbraw/zinc/46/97/78/655469778.db2.gz RWNWHIVQIAEBJQ-WDEREUQCSA-N 1 0 377.291 2.739 20 0 GFADRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)Nc1ccc2nccnc2c1Br ZINC000578312600 655476393 /nfs/dbraw/zinc/47/63/93/655476393.db2.gz MRCVODZVWXMQCX-LLVKDONJSA-N 1 0 378.274 2.950 20 0 GFADRO CN(Cc1cccc(Br)c1)C(=O)NCC1([NH+](C)C)CCOCC1 ZINC000265058984 655476702 /nfs/dbraw/zinc/47/67/02/655476702.db2.gz DQSLRSURHJQOKT-UHFFFAOYSA-N 1 0 384.318 2.701 20 0 GFADRO CN(C[C@H](O)c1cccc(Br)c1)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000840289496 661152057 /nfs/dbraw/zinc/15/20/57/661152057.db2.gz KYPKLKWXFXOFOF-KRWDZBQOSA-N 1 0 398.345 2.998 20 0 GFADRO CCOc1c(Cl)cc(NC(=O)C(=O)NC[C@H](C)C[NH+](C)C)cc1Cl ZINC000578428140 655478710 /nfs/dbraw/zinc/47/87/10/655478710.db2.gz YPTBWBUUAKXIDC-JTQLQIEISA-N 1 0 376.284 2.645 20 0 GFADRO [NH3+][C@@H]1CCCC[C@@H]1CC(=O)NC[C@@H](O)COc1cccc(Cl)c1Cl ZINC000578502070 655480583 /nfs/dbraw/zinc/48/05/83/655480583.db2.gz GCQAEBMMCWQYLH-YRGRVCCFSA-N 1 0 375.296 2.757 20 0 GFADRO O=C(Nc1nc(C(F)(F)F)cs1)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000265477455 655484136 /nfs/dbraw/zinc/48/41/36/655484136.db2.gz NWKXFWVTWQLTKB-SNVBAGLBSA-N 1 0 378.420 2.784 20 0 GFADRO CCCC[N@H+](C)C[C@@H](C)NC(=O)c1ccc(I)c(O)c1 ZINC000578704477 655485032 /nfs/dbraw/zinc/48/50/32/655485032.db2.gz CQCVSWJRKCRDKC-LLVKDONJSA-N 1 0 390.265 2.847 20 0 GFADRO C[N@@H+]1CCCC[C@@H]1CCOC(=O)c1ccccc1S(=O)(=O)CC(F)F ZINC000840227397 661148227 /nfs/dbraw/zinc/14/82/27/661148227.db2.gz AZJPDNDARAPGEV-CYBMUJFWSA-N 1 0 375.437 2.757 20 0 GFADRO C[N@@H+]1CC[C@@H](C(=O)NCc2cc(Cl)cc(I)c2)C1 ZINC000578741903 655486046 /nfs/dbraw/zinc/48/60/46/655486046.db2.gz LOIMQQPOHZGWCV-SNVBAGLBSA-N 1 0 378.641 2.513 20 0 GFADRO O=S(=O)(c1ccc(OC(F)F)c(F)c1)N1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000578746291 655486189 /nfs/dbraw/zinc/48/61/89/655486189.db2.gz KWOKQLABCFAQEX-ZIAGYGMSSA-N 1 0 378.416 2.722 20 0 GFADRO [NH3+]CCC1CCN(C(=O)C2CCN(C(=O)c3ccc(Cl)s3)CC2)CC1 ZINC000578759387 655486480 /nfs/dbraw/zinc/48/64/80/655486480.db2.gz JSMRKDSQSGQKRD-UHFFFAOYSA-N 1 0 383.945 2.841 20 0 GFADRO C[C@@H]1[C@@H](C)[S@](=O)CCN1C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000265629569 655487435 /nfs/dbraw/zinc/48/74/35/655487435.db2.gz RNURCNTVCRYAIL-KDCSIKNMSA-N 1 0 383.583 2.511 20 0 GFADRO C[C@@H]1[C@@H](C)[S@@](=O)CCN1C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000265629574 655487444 /nfs/dbraw/zinc/48/74/44/655487444.db2.gz RNURCNTVCRYAIL-XGZNKIABSA-N 1 0 383.583 2.511 20 0 GFADRO C[C@@H]1CN(C[C@H](O)C[NH2+]CC(C)(C)c2ccccc2Br)C[C@H](C)O1 ZINC000579103032 655494048 /nfs/dbraw/zinc/49/40/48/655494048.db2.gz BTOXVZZAYLQLKS-OWCLPIDISA-N 1 0 399.373 2.786 20 0 GFADRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)c1cc(I)c[nH]1 ZINC000266067227 655496203 /nfs/dbraw/zinc/49/62/03/655496203.db2.gz BPBUEBQUWGSYFN-LBPRGKRZSA-N 1 0 375.254 2.566 20 0 GFADRO COc1ccc(S(=O)(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)c(Cl)c1 ZINC000579276002 655496888 /nfs/dbraw/zinc/49/68/88/655496888.db2.gz YREAVWLKCQDCTR-OAHLLOKOSA-N 1 0 382.913 2.800 20 0 GFADRO CN(C)c1cc[nH+]cc1C(=O)NCc1nc2cc(Br)ccc2o1 ZINC000579397725 655498853 /nfs/dbraw/zinc/49/88/53/655498853.db2.gz DPONBYFWSKRALZ-UHFFFAOYSA-N 1 0 375.226 2.981 20 0 GFADRO CO[C@H]1C[C@@H]([N@H+](C)Cc2cc(=O)n3cc(Br)ccc3n2)C12CCC2 ZINC000579556050 655501284 /nfs/dbraw/zinc/50/12/84/655501284.db2.gz GVEHGUDHDIRABY-CABCVRRESA-N 1 0 392.297 2.846 20 0 GFADRO CCOC(=O)COc1c(Br)cc(C)cc1CN1CCC[C@H]1C[NH2+]C ZINC000579837726 655504673 /nfs/dbraw/zinc/50/46/73/655504673.db2.gz OAKNIJWATDCUPL-HNNXBMFYSA-N 1 0 399.329 2.883 20 0 GFADRO C[C@@H]1CC[N@H+](CCNC(=O)C2(c3ccc(I)cc3)CC2)C1 ZINC000580098124 655508435 /nfs/dbraw/zinc/50/84/35/655508435.db2.gz QQQDRTUQTRJTMO-CYBMUJFWSA-N 1 0 398.288 2.781 20 0 GFADRO COc1sc(CN2C[C@@H](C[NH3+])C3(C2)CCOCC3)cc1Br ZINC000580192298 655509846 /nfs/dbraw/zinc/50/98/46/655509846.db2.gz IQOWXUMTZBYHPZ-LLVKDONJSA-N 1 0 375.332 2.707 20 0 GFADRO C[NH+](C)CCN(Cc1cccc(O)c1)C(=O)c1ncsc1Br ZINC000580210053 655510324 /nfs/dbraw/zinc/51/03/24/655510324.db2.gz JPOPQGFYAQDUPZ-UHFFFAOYSA-N 1 0 384.299 2.815 20 0 GFADRO O=C(c1cc(Cl)ccc1I)N1CC[C@H]([NH+]2CCC2)C1 ZINC000702293178 655521697 /nfs/dbraw/zinc/52/16/97/655521697.db2.gz VDGMBTVYVJUSKI-NSHDSACASA-N 1 0 390.652 2.865 20 0 GFADRO Cn1nc(Br)cc1CNC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000709260271 655522419 /nfs/dbraw/zinc/52/24/19/655522419.db2.gz PKEFNIDBQPLSPB-QGZVFWFLSA-N 1 0 393.329 2.563 20 0 GFADRO C[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1nn(C)cc1Br ZINC000716185422 655523416 /nfs/dbraw/zinc/52/34/16/655523416.db2.gz LPKJWTJIPZFKRF-CJNGLKHVSA-N 1 0 391.313 2.823 20 0 GFADRO Cc1cc(C[NH2+]CC[C@@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)cs1 ZINC000721752676 655525216 /nfs/dbraw/zinc/52/52/16/655525216.db2.gz MSAHCEVSDWIEKU-OAHLLOKOSA-N 1 0 388.555 2.570 20 0 GFADRO CC(C)(C[NH2+][C@H]1CCCC[C@H]1CNC(=O)OC(C)(C)C)CS(C)(=O)=O ZINC000723848553 655525572 /nfs/dbraw/zinc/52/55/72/655525572.db2.gz WWJTURPPGKKODZ-GJZGRUSLSA-N 1 0 376.563 2.730 20 0 GFADRO C[NH+](C)CCN(CCc1ccccc1)S(=O)(=O)Cc1ccc(Cl)nc1 ZINC000725824841 655527169 /nfs/dbraw/zinc/52/71/69/655527169.db2.gz JZYUYNJTPMXHTK-UHFFFAOYSA-N 1 0 381.929 2.671 20 0 GFADRO C[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cccc(Cl)c2SC(F)F)C1 ZINC000726292123 655532834 /nfs/dbraw/zinc/53/28/34/655532834.db2.gz UJJJOUXMXDQEDZ-SECBINFHSA-N 1 0 377.844 2.804 20 0 GFADRO C[NH+](C)CCCN(Cc1cccs1)C(=S)Nc1ccc(C(N)=O)cc1 ZINC000726441088 655534297 /nfs/dbraw/zinc/53/42/97/655534297.db2.gz QAEAQCFICUPIEU-UHFFFAOYSA-N 1 0 376.551 2.998 20 0 GFADRO CC[N@H+](CCNC(=O)CN1C(=S)N=NC1c1ccc(Cl)cc1)C(C)C ZINC000726624312 655536912 /nfs/dbraw/zinc/53/69/12/655536912.db2.gz DTLYIJHBBRHXSR-UHFFFAOYSA-N 1 0 381.933 2.734 20 0 GFADRO O=C(C[NH2+]Cc1ccccc1-n1cncn1)Nc1ccc(Br)cc1 ZINC000726797439 655538568 /nfs/dbraw/zinc/53/85/68/655538568.db2.gz CQPDEFCNEXJHOQ-UHFFFAOYSA-N 1 0 386.253 2.758 20 0 GFADRO O[C@H](C[NH2+][C@H]1CCCN(c2ncccn2)C1)c1ccc(Br)cc1 ZINC000728941217 655560448 /nfs/dbraw/zinc/56/04/48/655560448.db2.gz GFDWEMWYDLZKKN-JKSUJKDBSA-N 1 0 377.286 2.531 20 0 GFADRO Cc1csc([C@](O)(CC(=O)N2CCCC[C@H]2C[NH+](C)C)C(F)(F)F)n1 ZINC000729250138 655563577 /nfs/dbraw/zinc/56/35/77/655563577.db2.gz AGVUSVQGBYZPRJ-SWLSCSKDSA-N 1 0 379.448 2.534 20 0 GFADRO CC(C)(NC(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccc(Br)cc1 ZINC000729596774 655566075 /nfs/dbraw/zinc/56/60/75/655566075.db2.gz STLRIXBSXATEBD-HZPDHXFCSA-N 1 0 396.329 2.847 20 0 GFADRO C[C@@H](CC[NH+](C)C)NC(=O)NC[C@](O)(c1ccc(Cl)cc1)C(F)(F)F ZINC000729606005 655566200 /nfs/dbraw/zinc/56/62/00/655566200.db2.gz FNXZCEPBGXLPPS-NHYWBVRUSA-N 1 0 381.826 2.729 20 0 GFADRO Cc1ccc(/C=C\C(=O)N[C@@H](C)CN2CC[NH+](C)CC2)c(Br)c1 ZINC000730227309 655572592 /nfs/dbraw/zinc/57/25/92/655572592.db2.gz BJQKVJJNEAAHFL-XHPSBEMXSA-N 1 0 380.330 2.523 20 0 GFADRO CC[N@@H+]1CCCC[C@H]1CNC(=O)/C=C/c1ccc(I)o1 ZINC000732138664 655592007 /nfs/dbraw/zinc/59/20/07/655592007.db2.gz FDZPPLBXTXHDRD-CRALRDPISA-N 1 0 388.249 2.888 20 0 GFADRO CCCCCC[N@H+](C)CC(=O)N[C@H](C(N)=O)c1cccc(Br)c1 ZINC000732279503 655594413 /nfs/dbraw/zinc/59/44/13/655594413.db2.gz RIZUESQIPUAVCA-INIZCTEOSA-N 1 0 384.318 2.604 20 0 GFADRO CNC(=O)C1([NH2+]CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CCCC1 ZINC000733999226 655625286 /nfs/dbraw/zinc/62/52/86/655625286.db2.gz DUUXBWUSEQIFES-UHFFFAOYSA-N 1 0 377.794 2.946 20 0 GFADRO CC[C@@H](NC(=S)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)c1cccs1 ZINC000734375335 655630063 /nfs/dbraw/zinc/63/00/63/655630063.db2.gz CLJCYKSFVAAFMB-HUUCEWRRSA-N 1 0 382.599 2.606 20 0 GFADRO S=C(NCCSc1ccccc1)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000735983322 655656563 /nfs/dbraw/zinc/65/65/63/655656563.db2.gz SNNRCDUGLKHPAB-INIZCTEOSA-N 1 0 379.595 2.744 20 0 GFADRO O=S(=O)(NC[C@H]1CC[N@H+](CCc2ccccc2)C1)c1cccnc1Cl ZINC000738373180 655690200 /nfs/dbraw/zinc/69/02/00/655690200.db2.gz BMOIZSKCAUCRNV-MRXNPFEDSA-N 1 0 379.913 2.578 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CNC(=S)NC[C@H](O)c1c(Cl)cccc1Cl ZINC000740769961 655699045 /nfs/dbraw/zinc/69/90/45/655699045.db2.gz BLVJAQNWAKWRCQ-RISCZKNCSA-N 1 0 376.353 2.975 20 0 GFADRO C[C@@H](c1ccc(Cl)cc1)N1CCN(C(=S)NC2CC[NH+](C)CC2)CC1 ZINC000741875147 655708747 /nfs/dbraw/zinc/70/87/47/655708747.db2.gz MEULEWAFHGMMKK-HNNXBMFYSA-N 1 0 380.989 2.987 20 0 GFADRO CC[NH+](CC)[C@@H]1CCN(C(=O)/C=C\c2ccc(I)o2)C1 ZINC000742902003 655723445 /nfs/dbraw/zinc/72/34/45/655723445.db2.gz UQKWCILLOYEQGQ-XYLWRLHESA-N 1 0 388.249 2.840 20 0 GFADRO CC(C)(C)O[C@@H]1C[C@H]([NH2+]CC2CCN(S(=O)(=O)C(F)F)CC2)C1(C)C ZINC000840728740 661179420 /nfs/dbraw/zinc/17/94/20/661179420.db2.gz LGGMDOYLUYHWHY-UONOGXRCSA-N 1 0 382.517 2.823 20 0 GFADRO CC(C)(C)O[C@H]1C[C@H]([NH2+]CC2CCN(S(=O)(=O)C(F)F)CC2)C1(C)C ZINC000840728738 661179492 /nfs/dbraw/zinc/17/94/92/661179492.db2.gz LGGMDOYLUYHWHY-KBPBESRZSA-N 1 0 382.517 2.823 20 0 GFADRO C[C@H]1C[C@@H](NC(=O)C(=O)Nc2ccccc2SC(F)(F)F)CC[N@@H+]1C ZINC000743930771 655732760 /nfs/dbraw/zinc/73/27/60/655732760.db2.gz ISBMWZKQBKWLRT-QWRGUYRKSA-N 1 0 375.416 2.836 20 0 GFADRO CSc1nc2ccc(NC(=O)C(=O)NCC[N@@H+]3CCC[C@H]3C)cc2s1 ZINC000743980373 655733426 /nfs/dbraw/zinc/73/34/26/655733426.db2.gz LSDQYIBGPJHSPV-LLVKDONJSA-N 1 0 378.523 2.557 20 0 GFADRO COc1ccc2nc(Cl)ccc2c1S(=O)(=O)NCC[N@@H+]1CC[C@@H](C)C1 ZINC000745942169 655756128 /nfs/dbraw/zinc/75/61/28/655756128.db2.gz AAZATPIYFDKGBJ-GFCCVEGCSA-N 1 0 383.901 2.517 20 0 GFADRO COC(=O)[C@](C)(NC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C)c1cccc(Br)c1 ZINC000746240664 655759468 /nfs/dbraw/zinc/75/94/68/655759468.db2.gz SEDUSOCJVGAAGK-FHSNZYRGSA-N 1 0 397.313 2.826 20 0 GFADRO C[N@H+](CC1CC1)C[C@H]1CCN(CN2C(=S)N=NC2Cc2cccs2)C1 ZINC000746381197 655760735 /nfs/dbraw/zinc/76/07/35/655760735.db2.gz FOBOIFXNCSQSPC-OAHLLOKOSA-N 1 0 377.583 2.840 20 0 GFADRO OCCCC[NH+]1CCN(Cc2nnc(-c3ccc(Cl)cc3Cl)o2)CC1 ZINC000746488515 655762451 /nfs/dbraw/zinc/76/24/51/655762451.db2.gz KBGAWJIKPRBSDY-UHFFFAOYSA-N 1 0 385.295 2.934 20 0 GFADRO COc1ccc(CCNC(=S)NCC2CC[NH+](C)CC2)c(Cl)c1OC ZINC000840752952 661183673 /nfs/dbraw/zinc/18/36/73/661183673.db2.gz OQCCEGPZVWVCRE-UHFFFAOYSA-N 1 0 385.961 2.706 20 0 GFADRO CCC[N@H+](CC)CCNS(=O)(=O)c1c(OC)ccc2nc(Cl)ccc21 ZINC000747284961 655776306 /nfs/dbraw/zinc/77/63/06/655776306.db2.gz IRRAXWKYNHFBPA-UHFFFAOYSA-N 1 0 385.917 2.907 20 0 GFADRO Cc1nn(Cc2ccccc2)c(Cl)c1C[NH2+]CC1(CS(C)(=O)=O)CC1 ZINC000748241601 655788952 /nfs/dbraw/zinc/78/89/52/655788952.db2.gz BPECVHPIYOQLIV-UHFFFAOYSA-N 1 0 381.929 2.808 20 0 GFADRO Cc1n[nH]c(C(=O)NC2CC[NH+]([C@@H](C)c3ccncc3)CC2)c1Br ZINC000749065560 655799262 /nfs/dbraw/zinc/79/92/62/655799262.db2.gz BKXQSPNEUGCAGK-LBPRGKRZSA-N 1 0 392.301 2.831 20 0 GFADRO CCc1c(Cl)nc(CS(C)(=O)=O)nc1NCCC[N@@H+]1CCCC[C@H]1C ZINC000749091787 655799740 /nfs/dbraw/zinc/79/97/40/655799740.db2.gz ITWIDMCPPXKHFM-CYBMUJFWSA-N 1 0 388.965 2.913 20 0 GFADRO CCc1c(Cl)nc(CS(C)(=O)=O)nc1NCC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000749096176 655800034 /nfs/dbraw/zinc/80/00/34/655800034.db2.gz GEUWIBKHHFWANT-BETUJISGSA-N 1 0 388.965 2.912 20 0 GFADRO C[NH+](C)CC1CCC(NS(=O)(=O)c2ccc3nc(Cl)cnc3c2)CC1 ZINC000749962013 655809635 /nfs/dbraw/zinc/80/96/35/655809635.db2.gz PDIGVSVICGBLQT-UHFFFAOYSA-N 1 0 382.917 2.682 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)[C@@H]1CSCN1C(=O)OC(C)(C)C)c1ccsc1 ZINC000750853627 655818076 /nfs/dbraw/zinc/81/80/76/655818076.db2.gz GCKSGONWUQXSOD-KBPBESRZSA-N 1 0 385.555 2.777 20 0 GFADRO COC1CC[NH+](CCNC(=O)/C=C/c2ccc(C)cc2Br)CC1 ZINC000750860667 655818165 /nfs/dbraw/zinc/81/81/65/655818165.db2.gz GLBQXOZNAUQUSH-AATRIKPKSA-N 1 0 381.314 2.998 20 0 GFADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=S)Nc1ccc(F)c(Cl)c1 ZINC000751039991 655820680 /nfs/dbraw/zinc/82/06/80/655820680.db2.gz UVTBEDYODDKNLD-HNNXBMFYSA-N 1 0 386.924 2.708 20 0 GFADRO CN(C)C(=O)c1cccc(C[NH2+]C[C@H](O)c2ccccc2Br)c1 ZINC000751570773 655831087 /nfs/dbraw/zinc/83/10/87/655831087.db2.gz VOKRMHKTMIJBSH-KRWDZBQOSA-N 1 0 377.282 2.974 20 0 GFADRO C[C@@H]1CC[N@H+](CN2C(=O)N[C@@](C)(c3ccc(Br)cc3)C2=O)[C@H]1C ZINC000751942006 655836485 /nfs/dbraw/zinc/83/64/85/655836485.db2.gz OWIKYIAQUFIUMF-PEBVRCNWSA-N 1 0 380.286 2.904 20 0 GFADRO OCCCC[NH+]1CCN(Cc2cccc(Br)c2OC(F)F)CC1 ZINC000752022430 655838646 /nfs/dbraw/zinc/83/86/46/655838646.db2.gz QUXJIFLSWLFGCU-UHFFFAOYSA-N 1 0 393.272 2.941 20 0 GFADRO C[N@H+](C[C@@H](O)c1ccc(Br)cc1)CC(C)(C)CN1CCOCC1 ZINC000752088602 655839425 /nfs/dbraw/zinc/83/94/25/655839425.db2.gz MNYFELOQNIFEQE-QGZVFWFLSA-N 1 0 385.346 2.773 20 0 GFADRO CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)OCC[C@H]2CCCC[N@@H+]2C)c1 ZINC000752447015 655843517 /nfs/dbraw/zinc/84/35/17/655843517.db2.gz ADGXRLZQMCATQP-CYBMUJFWSA-N 1 0 388.917 2.622 20 0 GFADRO C[C@H](CNC(=O)C(=O)Nc1c(F)cccc1Br)[NH+]1CCCCC1 ZINC000752726396 655845921 /nfs/dbraw/zinc/84/59/21/655845921.db2.gz NCKILIBNFFEGJK-LLVKDONJSA-N 1 0 386.265 2.517 20 0 GFADRO Cn1ncc(C(=O)N2CCC[N@H+](CC3CCCCC3)CC2)c1Br ZINC000753802385 655858996 /nfs/dbraw/zinc/85/89/96/655858996.db2.gz NCAUQRFNSBVVMN-UHFFFAOYSA-N 1 0 383.334 2.911 20 0 GFADRO COC(=O)C[C@H]([NH2+]CC(=O)Nc1ccc(OC(F)F)c(Cl)c1)C1CC1 ZINC000754540947 655869361 /nfs/dbraw/zinc/86/93/61/655869361.db2.gz QCXMLIZSGPRYNH-LBPRGKRZSA-N 1 0 376.787 2.811 20 0 GFADRO C[C@@H]([NH2+]CCC(C)(C)S(C)(=O)=O)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000840874916 661197477 /nfs/dbraw/zinc/19/74/77/661197477.db2.gz AYVQZZYNPCRRSC-HUUCEWRRSA-N 1 0 376.563 2.967 20 0 GFADRO COC(=O)C1CCC([NH2+]Cc2cn(-c3ccccc3Br)nn2)CC1 ZINC000756042811 655893736 /nfs/dbraw/zinc/89/37/36/655893736.db2.gz PWIUEGYIIBSRHZ-UHFFFAOYSA-N 1 0 393.285 2.851 20 0 GFADRO Cc1ccc(N2N=C(Br)C[C@@H]2C(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000756097830 655894765 /nfs/dbraw/zinc/89/47/65/655894765.db2.gz CYEQTSGZZPLHQW-SQWLQELKSA-N 1 0 393.329 2.881 20 0 GFADRO Cc1ccc(N2N=C(Br)C[C@@H]2C(=O)N[C@@H](C)CC[NH+](C)C)cc1 ZINC000756103839 655894939 /nfs/dbraw/zinc/89/49/39/655894939.db2.gz VKXPVDISUFJQHM-DZGCQCFKSA-N 1 0 381.318 2.739 20 0 GFADRO CS(=O)(=O)c1ccc(C[NH2+]C[C@H](O)c2cccc(C(F)(F)F)c2)s1 ZINC000840894527 661201504 /nfs/dbraw/zinc/20/15/04/661201504.db2.gz AXEZXHYDOSIPMV-ZDUSSCGKSA-N 1 0 379.425 2.994 20 0 GFADRO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]C[C@@H](C)c1nccs1 ZINC000758045430 655922045 /nfs/dbraw/zinc/92/20/45/655922045.db2.gz JXYNWMBGLJZFBJ-PWSUYJOCSA-N 1 0 388.946 2.554 20 0 GFADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]C[C@@H](C)c1nccs1 ZINC000758045431 655922120 /nfs/dbraw/zinc/92/21/20/655922120.db2.gz JXYNWMBGLJZFBJ-ZYHUDNBSSA-N 1 0 388.946 2.554 20 0 GFADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]C[C@H](C)c1nccs1 ZINC000758045426 655922129 /nfs/dbraw/zinc/92/21/29/655922129.db2.gz JXYNWMBGLJZFBJ-CMPLNLGQSA-N 1 0 388.946 2.554 20 0 GFADRO O=S(=O)(Cc1ccccc1)NCC[NH2+]Cc1ccc(C(F)(F)F)s1 ZINC000758308614 655929003 /nfs/dbraw/zinc/92/90/03/655929003.db2.gz OYOPIRVHEPIWFW-UHFFFAOYSA-N 1 0 378.441 2.976 20 0 GFADRO CNC(=O)CCOC1CC[NH+](C[C@H](O)c2ccc(Cl)cc2Cl)CC1 ZINC000759166951 655949709 /nfs/dbraw/zinc/94/97/09/655949709.db2.gz UZMZDUFAUBCUQP-INIZCTEOSA-N 1 0 375.296 2.644 20 0 GFADRO C[C@H](c1cccc(S(N)(=O)=O)c1)[N@H+](C)C[C@H](O)c1ccc(Cl)c(F)c1 ZINC000759850516 655965136 /nfs/dbraw/zinc/96/51/36/655965136.db2.gz JGEMMBXEACUCGB-DIFFPNOSSA-N 1 0 386.876 2.853 20 0 GFADRO COCCS(=O)(=O)c1ccc(C[NH2+][C@@H]2CC[C@H]3SCCS[C@@H]23)cc1 ZINC000760030408 655967741 /nfs/dbraw/zinc/96/77/41/655967741.db2.gz RGGXVGKTUPTVBD-ZACQAIPSSA-N 1 0 387.592 2.576 20 0 GFADRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2cnn(C)c2Br)C1 ZINC000760198057 655972254 /nfs/dbraw/zinc/97/22/54/655972254.db2.gz QQBILHHLNXLILW-JSGCOSHPSA-N 1 0 377.286 2.748 20 0 GFADRO Cn1ncc(C(=O)NC[C@H](c2ccc(Cl)cc2)[NH+](C)C)c1Br ZINC000760343579 655976683 /nfs/dbraw/zinc/97/66/83/655976683.db2.gz CGOASFFOTIRYLC-CYBMUJFWSA-N 1 0 385.693 2.869 20 0 GFADRO CCc1ccc(CN2CCN(C(=S)NCC3CC[NH+](C)CC3)CC2)s1 ZINC000760493756 655982492 /nfs/dbraw/zinc/98/24/92/655982492.db2.gz PHPCNNGLBFYQOB-UHFFFAOYSA-N 1 0 380.627 2.644 20 0 GFADRO C[NH+]1CCC(CNC(=S)N2CCN(c3ccc(F)cc3Cl)CC2)CC1 ZINC000760500703 655982697 /nfs/dbraw/zinc/98/26/97/655982697.db2.gz VATIXVATKLYKGX-UHFFFAOYSA-N 1 0 384.952 2.817 20 0 GFADRO CCCC[NH+]1CCC(NS(=O)(=O)c2ccc3nc(Cl)cnc3c2)CC1 ZINC000760857274 655993763 /nfs/dbraw/zinc/99/37/63/655993763.db2.gz ZJWVVHHRPUHTDZ-UHFFFAOYSA-N 1 0 382.917 2.826 20 0 GFADRO C[C@@H]1CCC[N@H+](CCN2C(=O)N[C@@](C)(c3cccc(Br)c3)C2=O)C1 ZINC000761021762 655996797 /nfs/dbraw/zinc/99/67/97/655996797.db2.gz ZXCYMJRUZGVCDD-ACJLOTCBSA-N 1 0 394.313 2.948 20 0 GFADRO CC[NH+]1CCC(CN2C(=O)N[C@@](C)(c3cccc(Br)c3)C2=O)CC1 ZINC000761119237 655998957 /nfs/dbraw/zinc/99/89/57/655998957.db2.gz IUBDNBLMAGEMMC-SFHVURJKSA-N 1 0 394.313 2.948 20 0 GFADRO C[C@]1(c2cccc(Br)c2)NC(=O)N([C@@H]2CC[N@@H+]3CCCC[C@@H]23)C1=O ZINC000761123333 655999459 /nfs/dbraw/zinc/99/94/59/655999459.db2.gz HMTFOTDFLCNRIA-HDMKZQKVSA-N 1 0 392.297 2.843 20 0 GFADRO C[C@@H](CN1C(=O)N[C@@](C)(c2cccc(Br)c2)C1=O)[N@H+](C)C1CC1 ZINC000761228854 656003963 /nfs/dbraw/zinc/00/39/63/656003963.db2.gz OHCGIKCEZKEWPF-GTNSWQLSSA-N 1 0 380.286 2.699 20 0 GFADRO COc1ccc(C(=O)NCC[N@@H+]2CCC[C@@H]2C)c(I)c1 ZINC000761645411 656019313 /nfs/dbraw/zinc/01/93/13/656019313.db2.gz DITYVOARBITAPG-NSHDSACASA-N 1 0 388.249 2.514 20 0 GFADRO CC(=O)c1ccc(Cl)c(S(=O)(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)c1 ZINC000761923740 656024546 /nfs/dbraw/zinc/02/45/46/656024546.db2.gz FNYDVAFBYSCXLO-OAHLLOKOSA-N 1 0 384.929 2.895 20 0 GFADRO C[C@@H]1C[C@H](N2C(=O)N[C@@](C)(c3cccc(Br)c3)C2=O)C[N@@H+]1C1CC1 ZINC000762098723 656031132 /nfs/dbraw/zinc/03/11/32/656031132.db2.gz ZTMFVZZTUXQYQA-PSZVPEGOSA-N 1 0 392.297 2.841 20 0 GFADRO C[C@@H]1C[C@H](N2C(=O)N[C@](C)(c3cccc(Br)c3)C2=O)C[N@@H+]1C1CC1 ZINC000762098721 656031207 /nfs/dbraw/zinc/03/12/07/656031207.db2.gz ZTMFVZZTUXQYQA-DJCROIMJSA-N 1 0 392.297 2.841 20 0 GFADRO CCSc1nn(CN2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)c(=S)s1 ZINC000763336775 656079737 /nfs/dbraw/zinc/07/97/37/656079737.db2.gz NKPKRYFWABLVNV-KGLIPLIRSA-N 1 0 387.644 2.701 20 0 GFADRO CC[C@](C[NH2+]Cc1cc(Br)nn1C)(C(=O)OC)c1ccccc1 ZINC000840978956 661224061 /nfs/dbraw/zinc/22/40/61/661224061.db2.gz UBALTFBBDUBTSD-QGZVFWFLSA-N 1 0 380.286 2.793 20 0 GFADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)N1CCc2cc(Br)cc(F)c21 ZINC000764351762 656108904 /nfs/dbraw/zinc/10/89/04/656108904.db2.gz BWMTZOAIYMWLBC-KBPBESRZSA-N 1 0 398.276 2.524 20 0 GFADRO COc1cc([C@H](C)[NH2+]CCCN(C)S(C)(=O)=O)ccc1SC(F)F ZINC000764905725 656122719 /nfs/dbraw/zinc/12/27/19/656122719.db2.gz UTPSHKFYFFQTOV-NSHDSACASA-N 1 0 382.498 2.942 20 0 GFADRO Cc1ccc(C(=O)Nc2ccnc(OCC[NH+](C)C)c2)c(Br)n1 ZINC000765391540 656141737 /nfs/dbraw/zinc/14/17/37/656141737.db2.gz VYQRLPNEVIYZGL-UHFFFAOYSA-N 1 0 379.258 2.740 20 0 GFADRO C[C@H](NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccccc1I ZINC000765795940 656152511 /nfs/dbraw/zinc/15/25/11/656152511.db2.gz GKLGMYOBAMCLRY-BFHYXJOUSA-N 1 0 386.277 2.805 20 0 GFADRO Cn1nc(C(F)(F)F)c(CN2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)c1Cl ZINC000841103330 661232735 /nfs/dbraw/zinc/23/27/35/661232735.db2.gz GPPIBFMMOHBQLE-YPMHNXCESA-N 1 0 380.842 2.811 20 0 GFADRO Cn1nc(C(F)(F)F)c(CN2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)c1Cl ZINC000841103328 661232988 /nfs/dbraw/zinc/23/29/88/661232988.db2.gz GPPIBFMMOHBQLE-WCQYABFASA-N 1 0 380.842 2.811 20 0 GFADRO Cc1cc(Br)cc(C(=O)OCC(=O)NC2CC[NH+](C(C)C)CC2)c1 ZINC000766794603 656183707 /nfs/dbraw/zinc/18/37/07/656183707.db2.gz BCJVBQAUKDVFQP-UHFFFAOYSA-N 1 0 397.313 2.903 20 0 GFADRO CS[C@H]1CN(S(=O)(=O)c2ccc(OC3CCCC3)cc2)C[C@@H]1[NH+](C)C ZINC000767313922 656199399 /nfs/dbraw/zinc/19/93/99/656199399.db2.gz BHOATEQBGPWXIC-ROUUACIJSA-N 1 0 384.567 2.674 20 0 GFADRO COc1cc(S(=O)(=O)NCCC[N@H+](C)C2CCCCC2)cnc1Cl ZINC000767454245 656204011 /nfs/dbraw/zinc/20/40/11/656204011.db2.gz MJVDIVKIHPDSMY-UHFFFAOYSA-N 1 0 375.922 2.677 20 0 GFADRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)Nc1cnc(Br)c(Br)c1 ZINC000841140825 661236491 /nfs/dbraw/zinc/23/64/91/661236491.db2.gz DDMAWDVXADPQDN-GMSGAONNSA-N 1 0 392.095 2.726 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H](NC(=O)Nc2cnc(Br)c(Br)c2)C1 ZINC000841142038 661237215 /nfs/dbraw/zinc/23/72/15/661237215.db2.gz LYDOGMRUYWNTIR-HTQZYQBOSA-N 1 0 392.095 2.998 20 0 GFADRO COc1cc(S(=O)(=O)N(CC[NH+](C)C)C2CCCCC2)cnc1Cl ZINC000767810715 656220593 /nfs/dbraw/zinc/22/05/93/656220593.db2.gz ACQGMHHIVFKOBA-UHFFFAOYSA-N 1 0 375.922 2.629 20 0 GFADRO CSc1nc2ccc(NC(=O)C(=O)N3CCC[C@H]([C@H](C)[NH3+])C3)cc2s1 ZINC000841180254 661241964 /nfs/dbraw/zinc/24/19/64/661241964.db2.gz ZBZWESMQXASXHE-QWRGUYRKSA-N 1 0 378.523 2.543 20 0 GFADRO CC(=O)N1CCC([NH+]2CCN(Cc3ccc(Br)s3)CC2)CC1 ZINC000768193725 656234655 /nfs/dbraw/zinc/23/46/55/656234655.db2.gz OHKFBLRDTXXOKS-UHFFFAOYSA-N 1 0 386.359 2.639 20 0 GFADRO Cc1c(C[N@@H+]2CCCC[C@H]2CNS(C)(=O)=O)sc2nc(C)nc(C)c12 ZINC000768342096 656237471 /nfs/dbraw/zinc/23/74/71/656237471.db2.gz OGOINENSYCHHLI-AWEZNQCLSA-N 1 0 382.555 2.520 20 0 GFADRO C[NH2+][C@H]1CCCN(C(=O)C(=O)Nc2ccc3cc(Br)ccc3c2)C1 ZINC000841164033 661240672 /nfs/dbraw/zinc/24/06/72/661240672.db2.gz MUQBLKJXDMRPTG-INIZCTEOSA-N 1 0 390.281 2.751 20 0 GFADRO Cc1nc(Br)ccc1NC(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000841172372 661241235 /nfs/dbraw/zinc/24/12/35/661241235.db2.gz IIDNANVXRQIYAI-DOMZBBRYSA-N 1 0 383.290 2.513 20 0 GFADRO CC1(C)CN(C(=O)C(=O)Nc2ccc3cc(Br)ccc3c2)CC[NH2+]1 ZINC000841264161 661250304 /nfs/dbraw/zinc/25/03/04/661250304.db2.gz KGHXOZWDLLLGEG-UHFFFAOYSA-N 1 0 390.281 2.751 20 0 GFADRO CCOc1cc(Br)ccc1NC(=O)C(=O)N(C)C1CCC([NH3+])CC1 ZINC000841188781 661242784 /nfs/dbraw/zinc/24/27/84/661242784.db2.gz HEVZCNKJCOYGAX-UHFFFAOYSA-N 1 0 398.301 2.515 20 0 GFADRO C[C@@H]1CN(C(=O)C(=O)Nc2ccc3cc(Br)ccc3c2)[C@H](C)C[NH2+]1 ZINC000841207509 661244518 /nfs/dbraw/zinc/24/45/18/661244518.db2.gz QQSPVRVKTZOHAQ-VXGBXAGGSA-N 1 0 390.281 2.750 20 0 GFADRO C[C@@]1(CNC(=O)C(=O)Nc2ccccc2SC(F)(F)F)CCC[NH2+]C1 ZINC000841210598 661244587 /nfs/dbraw/zinc/24/45/87/661244587.db2.gz FDGRZEYEUDXYSP-OAHLLOKOSA-N 1 0 375.416 2.743 20 0 GFADRO COC(=O)c1cccc(NC(=O)N(C)C2CCC([NH3+])CC2)c1Br ZINC000841218382 661245007 /nfs/dbraw/zinc/24/50/07/661245007.db2.gz VORWTQHCMBUARM-UHFFFAOYSA-N 1 0 384.274 2.969 20 0 GFADRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)Nc1cccc(Cl)c1SC(F)F ZINC000841231354 661246685 /nfs/dbraw/zinc/24/66/85/661246685.db2.gz ZZCPJSYAHBWHBJ-SCZZXKLOSA-N 1 0 377.844 2.707 20 0 GFADRO CC[C@@H]([NH3+])CNC(=O)C(=O)Nc1ccccc1SC[C@@H]1CC1(Cl)Cl ZINC000841256565 661249862 /nfs/dbraw/zinc/24/98/62/661249862.db2.gz KCVPJEGBULPNDX-WDEREUQCSA-N 1 0 390.336 2.765 20 0 GFADRO COC(=O)C[C@@]1([NH2+]CC[S@@](=O)c2cc(Cl)ccc2Cl)CCCOC1 ZINC000770700825 656327308 /nfs/dbraw/zinc/32/73/08/656327308.db2.gz PYEACPBHFHNDEF-UPCLLVRISA-N 1 0 394.320 2.803 20 0 GFADRO O=C(NC[C@@H](O)c1c(Cl)cccc1Cl)Nc1cnc2c(c1)C[NH2+]CC2 ZINC000841321393 661252036 /nfs/dbraw/zinc/25/20/36/661252036.db2.gz IEVIJQFKJWTXSL-OAHLLOKOSA-N 1 0 381.263 2.889 20 0 GFADRO COC(=O)c1sc(N2CCN(C3CC[NH+](C(C)C)CC3)CC2)nc1Cl ZINC000771188144 656342326 /nfs/dbraw/zinc/34/23/26/656342326.db2.gz NSAKHQLDCSBRJB-UHFFFAOYSA-N 1 0 386.949 2.578 20 0 GFADRO CC(C)[C@H](C[NH+](C)C)NC(=O)c1cc(I)c(F)cc1F ZINC000772050241 656371475 /nfs/dbraw/zinc/37/14/75/656371475.db2.gz KKILGWOLIWHTHX-ZDUSSCGKSA-N 1 0 396.219 2.885 20 0 GFADRO CC1(c2cccc(Br)c2)CC[NH+](CCCOC(=O)NC(N)=O)CC1 ZINC000772272086 656376477 /nfs/dbraw/zinc/37/64/77/656376477.db2.gz LKOPFHNORQETBU-UHFFFAOYSA-N 1 0 398.301 2.998 20 0 GFADRO COCC[N@@H+]1CCC[C@H](NC(=O)C[C@H](O)c2cc(Cl)cc(Cl)c2)C1 ZINC000772661107 656385228 /nfs/dbraw/zinc/38/52/28/656385228.db2.gz QACFHPNZJSNCBP-HOTGVXAUSA-N 1 0 375.296 2.644 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1CCCNS(=O)(=O)c1ccc2nc(Cl)cnc2c1 ZINC000772920144 656393451 /nfs/dbraw/zinc/39/34/51/656393451.db2.gz XUKSCSVOIWRXOW-CYBMUJFWSA-N 1 0 382.917 2.826 20 0 GFADRO COCC1(C)CC[NH+](Cn2nc(Br)c(=O)c3ccccc32)CC1 ZINC000773270364 656406889 /nfs/dbraw/zinc/40/68/89/656406889.db2.gz TZNXVPSAWCNNOD-UHFFFAOYSA-N 1 0 380.286 2.865 20 0 GFADRO C[C@@H]1CN(C(=O)Cc2ccc(Cl)cc2Br)[C@@H](C)C[N@@H+]1CCO ZINC000841455822 661267348 /nfs/dbraw/zinc/26/73/48/661267348.db2.gz WNYXHFGTHVWPLR-NEPJUHHUSA-N 1 0 389.721 2.559 20 0 GFADRO C[NH+](C)C1CC(NC(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CCCC2)C1 ZINC000773485191 656451627 /nfs/dbraw/zinc/45/16/27/656451627.db2.gz AOIGCLZZAKQJRY-UHFFFAOYSA-N 1 0 384.929 2.635 20 0 GFADRO C[NH+](C)CCOc1cccc(CNC(=O)Cc2cccnc2Br)c1 ZINC000773923359 656477613 /nfs/dbraw/zinc/47/76/13/656477613.db2.gz PPYPKDZFYILKTG-UHFFFAOYSA-N 1 0 392.297 2.643 20 0 GFADRO CCC[NH+](CCC)CCCNC(=O)C(=O)Nc1cnc(Br)cc1C ZINC000774213219 656504355 /nfs/dbraw/zinc/50/43/55/656504355.db2.gz YCVQZCCYUVLFCC-UHFFFAOYSA-N 1 0 399.333 2.719 20 0 GFADRO C[C@@H]([NH2+][C@@H](C)c1ccc(S(N)(=O)=O)cc1)[C@@H](O)c1c(F)cccc1Cl ZINC000774461911 656529485 /nfs/dbraw/zinc/52/94/85/656529485.db2.gz RDNLFGWWJXVJSD-WVQJBOLRSA-N 1 0 386.876 2.899 20 0 GFADRO NC(=O)CC[N@@H+](Cc1ccccc1)C[C@H](O)c1ccc(F)c(Br)c1 ZINC000774591345 656539179 /nfs/dbraw/zinc/53/91/79/656539179.db2.gz FXZWYBOKKNXPRY-KRWDZBQOSA-N 1 0 395.272 2.999 20 0 GFADRO O[C@@H](C[NH2+]C[C@H](O)COc1ccccc1)c1ccc(F)c(Br)c1 ZINC000774614676 656540991 /nfs/dbraw/zinc/54/09/91/656540991.db2.gz VPJQSBLGPCDYFQ-GUYCJALGSA-N 1 0 384.245 2.651 20 0 GFADRO O=S(=O)(c1cccc2scnc21)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000841506996 661278478 /nfs/dbraw/zinc/27/84/78/661278478.db2.gz FZPHPOIDKLLFQO-UKRRQHHQSA-N 1 0 377.535 2.934 20 0 GFADRO COC(=O)N1CCC[C@H]([C@H](C)[NH2+]CC(=O)N(C)Cc2ccc(Cl)s2)C1 ZINC000775810373 656682474 /nfs/dbraw/zinc/68/24/74/656682474.db2.gz KMVJWKNFDVICRD-STQMWFEESA-N 1 0 387.933 2.816 20 0 GFADRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2scnc2Br)[C@@H](C)C1 ZINC000777863254 656839704 /nfs/dbraw/zinc/83/97/04/656839704.db2.gz XTLQZCKOSPKXBN-NWDGAFQWSA-N 1 0 390.347 2.772 20 0 GFADRO C[NH+](C)CCOC1CCN(C(=O)c2cc(Br)ncc2Cl)CC1 ZINC000779775470 656941657 /nfs/dbraw/zinc/94/16/57/656941657.db2.gz CYWDPDWERPUKQM-UHFFFAOYSA-N 1 0 390.709 2.680 20 0 GFADRO C[C@@H](CNS(=O)(=O)c1cc(Br)ccc1F)[NH+]1CCCCC1 ZINC000780716964 657025475 /nfs/dbraw/zinc/02/54/75/657025475.db2.gz ATOCKTMMVJMFKQ-NSHDSACASA-N 1 0 379.295 2.741 20 0 GFADRO COC1CC[NH+](C(C)(C)CNS(=O)(=O)c2cccc(C(F)F)c2)CC1 ZINC000780774716 657028156 /nfs/dbraw/zinc/02/81/56/657028156.db2.gz WBLUYVRWIFOCLM-UHFFFAOYSA-N 1 0 376.469 2.792 20 0 GFADRO C[NH+](C)[C@H]1CCCN(Cn2nnn(-c3ccc(Br)cc3)c2=S)C1 ZINC000783985015 657280366 /nfs/dbraw/zinc/28/03/66/657280366.db2.gz QLUINFGAUNUYQQ-AWEZNQCLSA-N 1 0 397.346 2.544 20 0 GFADRO Cn1nc(Br)cc1C[NH2+]Cc1ccccc1CN1CCCC1=O ZINC000785422321 657363749 /nfs/dbraw/zinc/36/37/49/657363749.db2.gz MLFAWALXYSUVSG-UHFFFAOYSA-N 1 0 377.286 2.595 20 0 GFADRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)Nc2cccc(Br)n2)C1 ZINC000786149438 657410595 /nfs/dbraw/zinc/41/05/95/657410595.db2.gz KMGHVMVLBFAEFH-CYBMUJFWSA-N 1 0 385.306 2.809 20 0 GFADRO COC(=O)N1CC([NH2+][C@H](c2cccc(Br)c2)C2CCOCC2)C1 ZINC000786580842 657440854 /nfs/dbraw/zinc/44/08/54/657440854.db2.gz QBRVIUFDECDVOR-INIZCTEOSA-N 1 0 383.286 2.957 20 0 GFADRO Cc1ccc(Br)nc1C(=O)N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000787120313 657518172 /nfs/dbraw/zinc/51/81/72/657518172.db2.gz RVYKMZHPLSTACX-OAHLLOKOSA-N 1 0 396.329 2.870 20 0 GFADRO CN(Cc1cc(Br)nn1C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000787132975 657520619 /nfs/dbraw/zinc/52/06/19/657520619.db2.gz VZQMBZQUFKFNEA-UHFFFAOYSA-N 1 0 392.345 2.717 20 0 GFADRO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@@]1(O)CCCc2ccccc21 ZINC000787763294 657595880 /nfs/dbraw/zinc/59/58/80/657595880.db2.gz KPJBSHWAUCOUHY-LIRRHRJNSA-N 1 0 391.309 2.813 20 0 GFADRO CC[NH+](CC)[C@H]1CCN(S(=O)(=O)c2sc(C(=O)OC)c(Cl)c2C)C1 ZINC000788639293 657758024 /nfs/dbraw/zinc/75/80/24/657758024.db2.gz VBOTURPYUPPFEC-NSHDSACASA-N 1 0 394.946 2.601 20 0 GFADRO COC(=O)c1sc(S(=O)(=O)N[C@H](C)C(C)(C)C[NH+](C)C)c(C)c1Cl ZINC000788651344 657761982 /nfs/dbraw/zinc/76/19/82/657761982.db2.gz YBKBMELXXRMCLD-SNVBAGLBSA-N 1 0 396.962 2.751 20 0 GFADRO CC[NH+](CC)C[C@@H](C)NS(=O)(=O)c1sc(C(=O)OC)c(Cl)c1C ZINC000788675332 657770064 /nfs/dbraw/zinc/77/00/64/657770064.db2.gz DVPJMZCBZSDLGG-SECBINFHSA-N 1 0 382.935 2.505 20 0 GFADRO Cc1c(Br)ccc(NC(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c1F ZINC000788745979 657781919 /nfs/dbraw/zinc/78/19/19/657781919.db2.gz NZTUXWHVMJGJLN-VXGBXAGGSA-N 1 0 386.265 2.881 20 0 GFADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]CC[C@@](C)(O)c1ccccc1 ZINC000788768317 657784805 /nfs/dbraw/zinc/78/48/05/657784805.db2.gz ZIZFSBJSXXHATG-RDTXWAMCSA-N 1 0 379.298 2.887 20 0 GFADRO O[C@@H](C[NH2+]C1CCN(Cc2ccccc2Br)CC1)C(F)(F)F ZINC000788975695 657805201 /nfs/dbraw/zinc/80/52/01/657805201.db2.gz MRQYGTNFABRBEG-AWEZNQCLSA-N 1 0 381.236 2.926 20 0 GFADRO Cc1ccc(S(=O)(=O)N[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)c(Cl)n1 ZINC000790049198 657920756 /nfs/dbraw/zinc/92/07/56/657920756.db2.gz TZAOEBFWIYMTAT-CJNGLKHVSA-N 1 0 379.913 2.842 20 0 GFADRO COc1cccc(CN(CC[NH+](C)C)C(=O)NC[C@H]2CSCCS2)c1 ZINC000790421017 657973300 /nfs/dbraw/zinc/97/33/00/657973300.db2.gz MIXKIOZSZKDCNK-KRWDZBQOSA-N 1 0 383.583 2.617 20 0 GFADRO COCCS(=O)(=O)c1ccc(Cl)c(C(=O)OCCC[NH+](C)C)c1Cl ZINC000791885190 658200053 /nfs/dbraw/zinc/20/00/53/658200053.db2.gz HWVSHADSGXPKTH-UHFFFAOYSA-N 1 0 398.308 2.522 20 0 GFADRO CC(C)[NH+]1CCN(CCCOC(=O)[C@H](O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000792015849 658221247 /nfs/dbraw/zinc/22/12/47/658221247.db2.gz IZTUWBCPVXXARE-QGZVFWFLSA-N 1 0 389.323 2.986 20 0 GFADRO COCC[C@@H]([NH2+]CCCOC(=O)NC(N)=O)c1ccc(Cl)c(Cl)c1 ZINC000792929686 658331513 /nfs/dbraw/zinc/33/15/13/658331513.db2.gz XJVJQUBJKVNTCJ-CYBMUJFWSA-N 1 0 378.256 2.856 20 0 GFADRO CC[S@@](=O)CC[NH2+][C@H](C)CCc1ccc(I)cc1 ZINC000792988232 658341630 /nfs/dbraw/zinc/34/16/30/658341630.db2.gz WCZZBRZBQYUUGH-KZULUSFZSA-N 1 0 379.307 2.971 20 0 GFADRO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)Nc1cccc(Br)n1 ZINC000792989838 658342291 /nfs/dbraw/zinc/34/22/91/658342291.db2.gz ZKOTUPFRRIZFCK-ZDUSSCGKSA-N 1 0 397.317 2.553 20 0 GFADRO CSCCONC(=O)N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000793017725 658347583 /nfs/dbraw/zinc/34/75/83/658347583.db2.gz SPDBNFXGMOCOTQ-CQSZACIVSA-N 1 0 377.432 2.874 20 0 GFADRO COC(=O)c1ccc(C[NH2+]CCc2nnc3ccccn32)c(Br)c1 ZINC000793584452 658411354 /nfs/dbraw/zinc/41/13/54/658411354.db2.gz PWWDMPLDXWZWAL-UHFFFAOYSA-N 1 0 389.253 2.611 20 0 GFADRO CCC[N@H+](CC)C[C@H](C)NC(=O)COc1ccc(C=O)cc1Br ZINC000794257020 658508155 /nfs/dbraw/zinc/50/81/55/658508155.db2.gz IZPJSIQYUKBARO-ZDUSSCGKSA-N 1 0 385.302 2.877 20 0 GFADRO Cc1nc2ccc(Br)cn2c1C(=O)N1CCC12CC[NH+](C)CC2 ZINC000795121347 658680119 /nfs/dbraw/zinc/68/01/19/658680119.db2.gz BPDPLLVSLPNIKV-UHFFFAOYSA-N 1 0 377.286 2.716 20 0 GFADRO COC(=O)c1cc(NC(=S)NCCC[NH+](C)C)c(C)cc1Br ZINC000795164174 658697945 /nfs/dbraw/zinc/69/79/45/658697945.db2.gz HJSAQNNYJFATTJ-UHFFFAOYSA-N 1 0 388.331 2.782 20 0 GFADRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1Cn1nc(Br)c(=O)c2ccccc21 ZINC000795705033 658843071 /nfs/dbraw/zinc/84/30/71/658843071.db2.gz INAMJJBXPCEFQQ-KGLIPLIRSA-N 1 0 391.313 2.675 20 0 GFADRO C[C@@](CO)([NH2+]CC(=O)Nc1ccc(O)cc1)c1ccc(Br)cc1 ZINC000796277413 658909986 /nfs/dbraw/zinc/90/99/86/658909986.db2.gz HWMNYFVCZWRGMD-KRWDZBQOSA-N 1 0 379.254 2.591 20 0 GFADRO CS(=O)(=O)N[C@@H]1CCCC[C@@H]1C[NH2+]Cc1ccc(CSC(F)F)o1 ZINC000796490513 658919570 /nfs/dbraw/zinc/91/95/70/658919570.db2.gz VQPBBQAXSAHAIS-BXUZGUMPSA-N 1 0 382.498 2.933 20 0 GFADRO COC(=O)C[C@@](C)([NH2+]C/C=C(/C)C(=O)OC)c1ccc(Br)cc1 ZINC000796497098 658920004 /nfs/dbraw/zinc/92/00/04/658920004.db2.gz FPFPITPLPHUGRH-QJWNTBNXSA-N 1 0 384.270 2.936 20 0 GFADRO COC(=O)COc1c(C)cc(C[NH2+]CCn2cc(Br)cn2)cc1C ZINC000796513968 658921087 /nfs/dbraw/zinc/92/10/87/658921087.db2.gz RGDKSSXCPLEFAZ-UHFFFAOYSA-N 1 0 396.285 2.604 20 0 GFADRO C[C@@H](NC(=O)C[NH2+]C(C)(C)C(=O)N1CCCC1)c1ccc(Br)cc1 ZINC000796586103 658925095 /nfs/dbraw/zinc/92/50/95/658925095.db2.gz XDAXAILCFKNYGI-CYBMUJFWSA-N 1 0 396.329 2.617 20 0 GFADRO C[C@H]1CCC[N@@H+]1CCNS(=O)(=O)c1cc(Cl)ccc1Br ZINC000797455506 659024620 /nfs/dbraw/zinc/02/46/20/659024620.db2.gz WIJZTHQFLCJYER-JTQLQIEISA-N 1 0 381.723 2.865 20 0 GFADRO CC(C)[NH+]1CCC(NC(=O)COC(=O)c2cc(Cl)c(Cl)cc2N)CC1 ZINC000797481806 659028268 /nfs/dbraw/zinc/02/82/68/659028268.db2.gz GSKDOEUWRJAAPI-UHFFFAOYSA-N 1 0 388.295 2.721 20 0 GFADRO CC1=C(Br)CN(CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000797528941 659032145 /nfs/dbraw/zinc/03/21/45/659032145.db2.gz ARMUUESGMAYWPS-KRWDZBQOSA-N 1 0 380.330 2.780 20 0 GFADRO COc1cc(S(=O)(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)cnc1Cl ZINC000797845287 659059860 /nfs/dbraw/zinc/05/98/60/659059860.db2.gz RYDSSPJKWZACEX-AWEZNQCLSA-N 1 0 387.933 2.819 20 0 GFADRO COCCC(=O)N1CCC([NH2+][C@H](C)c2nc(Br)ccc2F)CC1 ZINC000798182532 659080041 /nfs/dbraw/zinc/08/00/41/659080041.db2.gz UMTCJCUMUWDCFQ-LLVKDONJSA-N 1 0 388.281 2.661 20 0 GFADRO CC[NH+](CC)CC[C@H](CO)NC(=O)C[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000798268176 659091120 /nfs/dbraw/zinc/09/11/20/659091120.db2.gz QYNZVPCIGHZGSF-HZPDHXFCSA-N 1 0 377.312 2.626 20 0 GFADRO O=C(CCNC(=O)c1ccc(Br)cc1)OCCC[NH+]1CCCCC1 ZINC000800098427 659269448 /nfs/dbraw/zinc/26/94/48/659269448.db2.gz FERRUPMHZNMNKQ-UHFFFAOYSA-N 1 0 397.313 2.988 20 0 GFADRO Cc1cc(C[NH2+][C@@H]2CCC[C@H]2CNS(C)(=O)=O)cc(C)c1OC(F)F ZINC000800309685 659300407 /nfs/dbraw/zinc/30/04/07/659300407.db2.gz MKVNOLOLSVKGHK-LSDHHAIUSA-N 1 0 376.469 2.712 20 0 GFADRO C[C@H](CCNS(=O)(=O)c1ccccc1)[NH2+]Cc1c(Cl)nc(Cl)n1C ZINC000801734460 659420415 /nfs/dbraw/zinc/42/04/15/659420415.db2.gz BZDISNIQKUUPHX-LLVKDONJSA-N 1 0 391.324 2.574 20 0 GFADRO CNS(=O)(=O)c1cccc([C@H](C)[NH2+]Cc2ccc([Si](C)(C)C)cc2)c1 ZINC000801937042 659435167 /nfs/dbraw/zinc/43/51/67/659435167.db2.gz CFQZSQHMPRJUDG-HNNXBMFYSA-N 1 0 376.598 2.991 20 0 GFADRO CC(C)[N@@H+]1CCO[C@H](COC(=O)c2ccc(I)cc2)C1 ZINC000802136334 659447328 /nfs/dbraw/zinc/44/73/28/659447328.db2.gz XLDUQUFSTBULAI-AWEZNQCLSA-N 1 0 389.233 2.557 20 0 GFADRO C[C@@H]([NH2+]C[C@@H](O)c1cccc(Br)c1)c1ccc(-n2cnnn2)cc1 ZINC000802316826 659477190 /nfs/dbraw/zinc/47/71/90/659477190.db2.gz CODZLDOWHNRXBN-SJKOYZFVSA-N 1 0 388.269 2.809 20 0 GFADRO COc1cc(C(=O)N2CC([N@H+](C)Cc3ccccc3)C2)cnc1Br ZINC000804533694 659654556 /nfs/dbraw/zinc/65/45/56/659654556.db2.gz GGBRJFLQJPWNCL-UHFFFAOYSA-N 1 0 390.281 2.809 20 0 GFADRO COc1ccc(C(=O)OC[C@H]2C[N@H+](CC(C)C)CCO2)cc1Br ZINC000804592586 659661360 /nfs/dbraw/zinc/66/13/60/659661360.db2.gz QQBJFPGOLUKFHK-CQSZACIVSA-N 1 0 386.286 2.971 20 0 GFADRO CCC[N@@H+]1CCC[C@H]1CNC(=O)/C=C/c1ccc(I)o1 ZINC000804777358 659682366 /nfs/dbraw/zinc/68/23/66/659682366.db2.gz ZEQFLAWJVNHUMY-WMADIVHISA-N 1 0 388.249 2.888 20 0 GFADRO CC(=O)NCC[C@H]1CCC[N@H+](C[C@H](O)c2ccc(F)c(Br)c2)C1 ZINC000805822202 659807855 /nfs/dbraw/zinc/80/78/55/659807855.db2.gz KCIHDIWYSIKCOI-DYVFJYSZSA-N 1 0 387.293 2.860 20 0 GFADRO CCOC(=O)C(F)(F)[C@@H]1CC[C@H]([NH2+]CCCn2cc(Br)cn2)C1 ZINC000806657568 659839264 /nfs/dbraw/zinc/83/92/64/659839264.db2.gz ADQIOSYJYSPQRY-YPMHNXCESA-N 1 0 394.260 2.992 20 0 GFADRO Cc1nn(C)c(Br)c1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000807740037 659863354 /nfs/dbraw/zinc/86/33/54/659863354.db2.gz RVNVNVOFYMJQBK-HIFRSBDPSA-N 1 0 391.313 2.884 20 0 GFADRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1Cn1nnn(-c2ccc(Cl)cc2)c1=S ZINC000808191854 659881229 /nfs/dbraw/zinc/88/12/29/659881229.db2.gz OJMNWJLYMUFOJG-XJKSGUPXSA-N 1 0 378.933 2.968 20 0 GFADRO CCS(=O)(=O)N1CCC([C@H](C)[N@H+](C)C[C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000808775524 659905239 /nfs/dbraw/zinc/90/52/39/659905239.db2.gz DDSIISLSQUMZER-KBXCAEBGSA-N 1 0 388.961 2.755 20 0 GFADRO C[N@H+](CCn1cc(Br)cn1)C[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000808802600 659907017 /nfs/dbraw/zinc/90/70/17/659907017.db2.gz ZMTXCMIFLQZTDR-CYBMUJFWSA-N 1 0 387.322 2.834 20 0 GFADRO Cc1cc(Br)cc(C[N@@H+]2CCC[C@@H]2C[C@]2(C)NC(=O)NC2=O)c1 ZINC000809704389 659936411 /nfs/dbraw/zinc/93/64/11/659936411.db2.gz BPGCEIKAAHCYMK-PBHICJAKSA-N 1 0 380.286 2.710 20 0 GFADRO O=C(NCCC[NH+]1CCCC1)C1CCN(Cc2occc2Br)CC1 ZINC000809732030 659937406 /nfs/dbraw/zinc/93/74/06/659937406.db2.gz ANTVSCSWMHFYIF-UHFFFAOYSA-N 1 0 398.345 2.856 20 0 GFADRO C[NH+](C)CCN(Cc1ccccc1I)C[C@@H]1CCCO1 ZINC000809737592 659937856 /nfs/dbraw/zinc/93/78/56/659937856.db2.gz IWBNDGJKPXHFQS-HNNXBMFYSA-N 1 0 388.293 2.834 20 0 GFADRO Cn1cc(Br)cc1C[N@H+](C)CCOCCNC(=O)OC(C)(C)C ZINC000809953629 659953297 /nfs/dbraw/zinc/95/32/97/659953297.db2.gz LBUYGXWDSIUNNT-UHFFFAOYSA-N 1 0 390.322 2.761 20 0 GFADRO CC[NH+](CC)CCS(=O)(=O)Oc1cc(C)ccc1I ZINC000810055749 659958107 /nfs/dbraw/zinc/95/81/07/659958107.db2.gz ZZNFRKWXVLJGAL-UHFFFAOYSA-N 1 0 397.278 2.650 20 0 GFADRO CN1CC[C@H]([NH2+]CCCNC(=O)C(F)(F)F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000810062974 659958714 /nfs/dbraw/zinc/95/87/14/659958714.db2.gz NBYRPSVTGLQMEV-KBPBESRZSA-N 1 0 381.801 2.883 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000810281385 659968544 /nfs/dbraw/zinc/96/85/44/659968544.db2.gz KMAFIUVVSUBJQI-STQMWFEESA-N 1 0 382.302 2.543 20 0 GFADRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)c2c(Br)nnn2C)CC1 ZINC000810413859 659972248 /nfs/dbraw/zinc/97/22/48/659972248.db2.gz YJRHDOOXINMGSQ-LBPRGKRZSA-N 1 0 392.301 2.533 20 0 GFADRO Nc1nc(N2CCC[C@@H](OC(=O)/C=C/c3ccc(Br)o3)C2)cc[nH+]1 ZINC000810767246 659985007 /nfs/dbraw/zinc/98/50/07/659985007.db2.gz UHCUCTKHTPBWIG-FVOPLDGLSA-N 1 0 393.241 2.640 20 0 GFADRO Nc1nc(N2CCC[C@H](OC(=O)c3ccc(Br)c(F)c3)C2)cc[nH+]1 ZINC000810770023 659985269 /nfs/dbraw/zinc/98/52/69/659985269.db2.gz HDCIKIZOVRPSRB-NSHDSACASA-N 1 0 395.232 2.786 20 0 GFADRO Nc1nc(N2CCC[C@H](OC(=O)Cc3ccc(Br)cc3)C2)cc[nH+]1 ZINC000810769761 659985316 /nfs/dbraw/zinc/98/53/16/659985316.db2.gz DSWMDZSHFUWKJG-AWEZNQCLSA-N 1 0 391.269 2.576 20 0 GFADRO CCCC[N@H+](C)C[C@@H](C)NC(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000811601085 660013225 /nfs/dbraw/zinc/01/32/25/660013225.db2.gz QCIIHGJUYKLTJN-GFCCVEGCSA-N 1 0 380.432 2.830 20 0 GFADRO CC(C)[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)N1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000812339938 660024912 /nfs/dbraw/zinc/02/49/12/660024912.db2.gz UYGFHMQXHWCWAX-WOSRLPQWSA-N 1 0 383.945 2.566 20 0 GFADRO CC1(C)[C@@H](O)CC[N@@H+]1C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000812865815 660036016 /nfs/dbraw/zinc/03/60/16/660036016.db2.gz STIQTBSLFQQVLD-RISCZKNCSA-N 1 0 378.694 2.687 20 0 GFADRO Cc1cnc(Br)c(NC(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000813001506 660039471 /nfs/dbraw/zinc/03/94/71/660039471.db2.gz HGQSINUOXDWWJV-CHWSQXEVSA-N 1 0 385.306 2.773 20 0 GFADRO CC[NH+](CC)CC(C)(C)COC(=O)c1cc(Br)c(C)n(C)c1=O ZINC000813151544 660045590 /nfs/dbraw/zinc/04/55/90/660045590.db2.gz NVLZZKUEBVPUFW-UHFFFAOYSA-N 1 0 387.318 2.981 20 0 GFADRO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1CNc1cc2c(c[nH+]1)CCC2 ZINC000815159208 660115010 /nfs/dbraw/zinc/11/50/10/660115010.db2.gz MFCOKLGAEJBEJO-AWEZNQCLSA-N 1 0 380.901 2.700 20 0 GFADRO CC(C)[C@H](C[NH2+]C1CCC(CS(C)(=O)=O)CC1)NC(=O)OC(C)(C)C ZINC000815581192 660126023 /nfs/dbraw/zinc/12/60/23/660126023.db2.gz YTDKVNCSZQMNAT-GPANFISMSA-N 1 0 376.563 2.729 20 0 GFADRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2cn3c(Br)cnc3s2)C1 ZINC000815836638 660132582 /nfs/dbraw/zinc/13/25/82/660132582.db2.gz LRBSMTIGESJTCQ-MNOVXSKESA-N 1 0 383.315 2.715 20 0 GFADRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cn3c(Br)cnc3s2)C1 ZINC000815836637 660132632 /nfs/dbraw/zinc/13/26/32/660132632.db2.gz LRBSMTIGESJTCQ-GHMZBOCLSA-N 1 0 383.315 2.715 20 0 GFADRO C[C@H]1C[NH+](CCCNC(=O)c2cnc(Cl)c(Br)c2)C[C@H](C)O1 ZINC000816838862 660170324 /nfs/dbraw/zinc/17/03/24/660170324.db2.gz MMMBJBSWGHCKDG-QWRGUYRKSA-N 1 0 390.709 2.727 20 0 GFADRO COC(=O)c1sc(S(=O)(=O)NCC[C@H]2CCC[N@H+](C)C2)c(C)c1Cl ZINC000841545991 661295489 /nfs/dbraw/zinc/29/54/89/661295489.db2.gz BLTZWHLFFIMAQC-LLVKDONJSA-N 1 0 394.946 2.507 20 0 GFADRO CC(C)[C@@H]([NH2+]Cc1ccc(S(N)(=O)=O)c(Cl)c1)[C@@H](O)c1ccccc1 ZINC000842208230 661327799 /nfs/dbraw/zinc/32/77/99/661327799.db2.gz SHTNCYRSVABHFK-MSOLQXFVSA-N 1 0 382.913 2.835 20 0 GFADRO O=S(=O)(c1c(F)c(F)c(F)c(F)c1F)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000842480943 661341213 /nfs/dbraw/zinc/34/12/13/661341213.db2.gz CNFJUBZMUAUGOG-DTWKUNHWSA-N 1 0 384.370 2.677 20 0 GFADRO C[NH2+]CCCN(C)C(=O)c1cnn(-c2ncccc2Cl)c1C(F)(F)Cl ZINC000842508729 661342742 /nfs/dbraw/zinc/34/27/42/661342742.db2.gz DMPLFEYMHFGSLI-UHFFFAOYSA-N 1 0 392.237 2.890 20 0 GFADRO O=C(CCNc1ncc(C(F)(F)F)cc1Cl)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000842513843 661342760 /nfs/dbraw/zinc/34/27/60/661342760.db2.gz VQVUOZGRPLQACO-HNNXBMFYSA-N 1 0 376.810 2.910 20 0 GFADRO C[NH2+]C[C@H](C)c1noc(C[C@H](NC(C)=O)c2ccc(Br)cc2)n1 ZINC000842576900 661343828 /nfs/dbraw/zinc/34/38/28/661343828.db2.gz LKHWKSRJMSATHF-HZMBPMFUSA-N 1 0 381.274 2.575 20 0 GFADRO Brc1cccc(Cc2noc(-c3cn(C4CC[NH2+]CC4)nn3)n2)c1 ZINC000842570993 661343904 /nfs/dbraw/zinc/34/39/04/661343904.db2.gz ICHZMVCUIKNQEW-UHFFFAOYSA-N 1 0 389.257 2.606 20 0 GFADRO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N[C@](C)(C[NH3+])CC(C)C ZINC000842722418 661350960 /nfs/dbraw/zinc/35/09/60/661350960.db2.gz GLCVKKYEJPOGLV-GUYCJALGSA-N 1 0 392.949 2.796 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H]2CN(S(=O)(=O)/C=C/c3cccc(Br)c3)C[C@H]21 ZINC000842792167 661354347 /nfs/dbraw/zinc/35/43/47/661354347.db2.gz AQSZEPPITSINAW-VVTOVXDBSA-N 1 0 385.327 2.809 20 0 GFADRO COc1ccc2nc(Cl)ccc2c1S(=O)(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000842842712 661356963 /nfs/dbraw/zinc/35/69/63/661356963.db2.gz ZOBCATWAYQWQOI-LBPRGKRZSA-N 1 0 383.901 2.646 20 0 GFADRO Cc1ccccc1[C@@H](O)C[NH2+]C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000843073793 661366533 /nfs/dbraw/zinc/36/65/33/661366533.db2.gz JPHYQRDCEAPOCU-YJBOKZPZSA-N 1 0 398.272 2.960 20 0 GFADRO CC(C)(C)OC(=O)NCC[C@@H](O)C[NH2+]C[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000843080812 661366783 /nfs/dbraw/zinc/36/67/83/661366783.db2.gz JFNFQMODWXDYNH-CABCVRRESA-N 1 0 393.311 2.892 20 0 GFADRO Cc1ccccc1[C@H](O)C[NH2+]C[C@H](O)COc1ccccc1Br ZINC000843094421 661367720 /nfs/dbraw/zinc/36/77/20/661367720.db2.gz KVUFOWZGIMXLAC-WMLDXEAASA-N 1 0 380.282 2.820 20 0 GFADRO Cc1ccc([C@H](O)C[NH2+]C[C@@H](O)COc2cccc(Br)c2)cc1 ZINC000843110969 661368590 /nfs/dbraw/zinc/36/85/90/661368590.db2.gz ILUMHIXNKZXBPO-SJLPKXTDSA-N 1 0 380.282 2.820 20 0 GFADRO OC[C@H](C[NH2+]C[C@@H](O)c1cccc(Br)c1)Cc1ccncc1Cl ZINC000843112702 661369047 /nfs/dbraw/zinc/36/90/47/661369047.db2.gz TXOXRBRFNSMXSU-YVEFUNNKSA-N 1 0 399.716 2.972 20 0 GFADRO OCC1([C@H]([NH2+]C[C@@H](O)c2ccc(Br)cc2)[C@@H]2CCCO2)CCC1 ZINC000843114101 661369170 /nfs/dbraw/zinc/36/91/70/661369170.db2.gz CXSKQSUHSUUWSK-IXDOHACOSA-N 1 0 384.314 2.782 20 0 GFADRO Ic1cccc(OCc2nc(CC3CC[NH2+]CC3)no2)c1 ZINC000843135163 661370505 /nfs/dbraw/zinc/37/05/05/661370505.db2.gz AXXKMCLOKQDVFI-UHFFFAOYSA-N 1 0 399.232 2.795 20 0 GFADRO COc1ccc(Cc2noc(C[C@H]3CCC[NH2+]3)n2)c(Br)c1OC ZINC000843203694 661372452 /nfs/dbraw/zinc/37/24/52/661372452.db2.gz WIEHFRZJYXGHCV-LLVKDONJSA-N 1 0 382.258 2.735 20 0 GFADRO O=C(Cc1noc(CCC2CC[NH2+]CC2)n1)Nc1ccccc1Br ZINC000843218657 661373525 /nfs/dbraw/zinc/37/35/25/661373525.db2.gz ASBWCEVNPGERRA-UHFFFAOYSA-N 1 0 393.285 2.946 20 0 GFADRO CC(C)N(Cc1cccc(Br)c1)C(=O)C(=O)NCCCCCC[NH3+] ZINC000843261775 661374821 /nfs/dbraw/zinc/37/48/21/661374821.db2.gz LSRDCUJRPDSMQO-UHFFFAOYSA-N 1 0 398.345 2.821 20 0 GFADRO O=C(CO[C@@H]1CCC[NH2+]C1)N(Cc1cc(Br)ccc1F)C1CC1 ZINC000843377238 661378818 /nfs/dbraw/zinc/37/88/18/661378818.db2.gz RJYRNAFVMNNIRY-OAHLLOKOSA-N 1 0 385.277 2.848 20 0 GFADRO CS(=O)(=O)c1cc(C(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)ccc1Cl ZINC000843481496 661382962 /nfs/dbraw/zinc/38/29/62/661382962.db2.gz JFIPDQRUCRZUNX-CABCVRRESA-N 1 0 384.929 2.595 20 0 GFADRO O=C(CO[C@H]1CCC[NH2+]C1)N1CCC(c2ccccc2Br)CC1 ZINC000843493852 661383370 /nfs/dbraw/zinc/38/33/70/661383370.db2.gz YBIVRWJEJBNWNQ-HNNXBMFYSA-N 1 0 381.314 2.924 20 0 GFADRO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)[C@@H](C)c3nc(N)nc(Cl)n3)C2)s1 ZINC000844328790 661416049 /nfs/dbraw/zinc/41/60/49/661416049.db2.gz XXJJHSXHAZFSPQ-STQMWFEESA-N 1 0 380.949 2.992 20 0 GFADRO O=C1C=C(c2ccc(Br)cc2)CN1CN1CC[NH+](C2CCC2)CC1 ZINC000844692993 661433830 /nfs/dbraw/zinc/43/38/30/661433830.db2.gz PVBSRRGGKJBDHZ-UHFFFAOYSA-N 1 0 390.325 2.802 20 0 GFADRO [NH3+]CC(F)(F)Cc1nc(CC(=O)Nc2ccc(SC(F)F)cc2)no1 ZINC000844916192 661449253 /nfs/dbraw/zinc/44/92/53/661449253.db2.gz JEEWTHIWXASZBA-UHFFFAOYSA-N 1 0 378.351 2.702 20 0 GFADRO O=C(NCc1noc([C@H]2CC[C@@H](C3CC3)[NH2+]2)n1)c1ccc(Br)cc1 ZINC000844920582 661449569 /nfs/dbraw/zinc/44/95/69/661449569.db2.gz TZFISTCKBYUJGB-UONOGXRCSA-N 1 0 391.269 2.965 20 0 GFADRO Cc1c(Br)nccc1NC(=O)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000846312401 661544597 /nfs/dbraw/zinc/54/45/97/661544597.db2.gz RRXYNGLTZXGETB-KCQAQPDRSA-N 1 0 397.317 2.903 20 0 GFADRO Cc1csc([C@](O)(CC(=O)N(C)CC[NH+]2CCCCC2)C(F)(F)F)n1 ZINC000846613743 661559493 /nfs/dbraw/zinc/55/94/93/661559493.db2.gz XTWSIGYBZSJTDY-OAHLLOKOSA-N 1 0 379.448 2.536 20 0 GFADRO C[NH+]1CCC(ONC(=O)c2ccc(I)c(Cl)c2)CC1 ZINC000846647252 661560808 /nfs/dbraw/zinc/56/08/08/661560808.db2.gz KQULFEXRNDWKNN-UHFFFAOYSA-N 1 0 394.640 2.700 20 0 GFADRO O=C(Nc1ccc2c(c1)OCO2)C1CC[NH+](CC2(Br)CC2)CC1 ZINC000846766626 661564628 /nfs/dbraw/zinc/56/46/28/661564628.db2.gz VFHFORYSSQSKBL-UHFFFAOYSA-N 1 0 381.270 2.993 20 0 GFADRO Cc1ccc(NC(=O)NC[C@H](C)N2C[C@@H](C)O[C@@H](C)C2)nc1Br ZINC000847182342 661580055 /nfs/dbraw/zinc/58/00/55/661580055.db2.gz XWHSKSKWLWLGIV-RWMBFGLXSA-N 1 0 385.306 2.772 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)c1cnc(F)c(Br)c1)Cc1ccccc1 ZINC000847300780 661586763 /nfs/dbraw/zinc/58/67/63/661586763.db2.gz JPRAREIKPLKCPV-CQSZACIVSA-N 1 0 380.261 2.886 20 0 GFADRO Cc1nc(Cl)c(Cl)cc1C(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000847463921 661593322 /nfs/dbraw/zinc/59/33/22/661593322.db2.gz NRWQCBAPBGWIEJ-AWEZNQCLSA-N 1 0 385.339 2.939 20 0 GFADRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1nc(Cl)sc1Cl ZINC000847587693 661600155 /nfs/dbraw/zinc/60/01/55/661600155.db2.gz BISIVGVBTIHVTF-GHMZBOCLSA-N 1 0 378.325 2.948 20 0 GFADRO CS[C@H]1CN(C(=O)c2nc(F)ccc2Br)C[C@H]1[NH+]1CCCC1 ZINC000847724993 661607854 /nfs/dbraw/zinc/60/78/54/661607854.db2.gz INSZQFJUORPPMI-NEPJUHHUSA-N 1 0 388.306 2.635 20 0 GFADRO C[N@@H+]1CC[C@@H](CCOC(=O)Cc2csc(NC(=O)c3cccs3)n2)C1 ZINC000847829706 661612644 /nfs/dbraw/zinc/61/26/44/661612644.db2.gz YNRMQAFPMGRVEW-LBPRGKRZSA-N 1 0 379.507 2.884 20 0 GFADRO CSC1(CNC(=O)c2nc(F)ccc2Br)CC[NH+](C)CC1 ZINC000848101473 661624977 /nfs/dbraw/zinc/62/49/77/661624977.db2.gz FHWXFRRWFFIYIK-UHFFFAOYSA-N 1 0 376.295 2.540 20 0 GFADRO O=C(Nc1cccc(C[N@H+]2CC[C@@H](O)C2)c1)c1cnc(F)c(Br)c1 ZINC000848107422 661625723 /nfs/dbraw/zinc/62/57/23/661625723.db2.gz CZRWLGRRLKFDCO-CQSZACIVSA-N 1 0 394.244 2.802 20 0 GFADRO O=S(=O)(N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccc2nc(Cl)cnc2c1 ZINC000848508115 661658224 /nfs/dbraw/zinc/65/82/24/661658224.db2.gz HTQALEBAFILOJT-ZBFHGGJFSA-N 1 0 380.901 2.578 20 0 GFADRO [NH3+]C[C@H](NC(=O)N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1)C(F)(F)F ZINC000848595015 661666404 /nfs/dbraw/zinc/66/64/04/661666404.db2.gz JBNBUYJOSGZNLI-KBPBESRZSA-N 1 0 379.810 2.685 20 0 GFADRO CN(C(=O)C(=O)NCCCc1c(Cl)cccc1Cl)C1CCC([NH3+])CC1 ZINC000848613029 661667625 /nfs/dbraw/zinc/66/76/25/661667625.db2.gz CAHBXFLMEXNVQG-UHFFFAOYSA-N 1 0 386.323 2.771 20 0 GFADRO CN(C)[C@]1(CNC(=[NH2+])NCc2ccc(OC(F)(F)F)cc2)CCSC1 ZINC000849096497 661691882 /nfs/dbraw/zinc/69/18/82/661691882.db2.gz LIEJLTDEBAGQAF-HNNXBMFYSA-N 1 0 376.448 2.636 20 0 GFADRO C[C@@H]1C[C@H](N2C(=O)N[C@@H](c3ccccc3Br)C2=O)C[N@@H+]1C1CC1 ZINC000849354392 661708951 /nfs/dbraw/zinc/70/89/51/661708951.db2.gz PIGQQLQRGBZOBD-GMXABZIVSA-N 1 0 378.270 2.667 20 0 GFADRO CC(C)[N@@H+]1CC[C@H](C(=O)NCCSC(F)(F)F)[C@@H](c2cnn(C)c2)C1 ZINC000849500660 661733755 /nfs/dbraw/zinc/73/37/55/661733755.db2.gz IJEHZADREOMUJA-UONOGXRCSA-N 1 0 378.464 2.603 20 0 GFADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)Nc2cc(Br)ccc2O)cn1 ZINC000849567470 661734411 /nfs/dbraw/zinc/73/44/11/661734411.db2.gz IFGQXNQGWMYMSY-KBPBESRZSA-N 1 0 393.285 2.562 20 0 GFADRO CC(C)[N@@H+]1CC[C@H](C(=O)NC[C@]2(C)CC2(Cl)Cl)[C@H](c2cnn(C)c2)C1 ZINC000849598883 661734851 /nfs/dbraw/zinc/73/48/51/661734851.db2.gz HZGXXPCDKXAYFP-ZOBUZTSGSA-N 1 0 387.355 2.934 20 0 GFADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@H]2C(=O)Nc2cscc2Br)cn1 ZINC000849600911 661735164 /nfs/dbraw/zinc/73/51/64/661735164.db2.gz SCMCUKCFLBRISB-NEPJUHHUSA-N 1 0 383.315 2.918 20 0 GFADRO CCN(CC)S(=O)(=O)c1ccc(CC[NH2+]Cc2cncc(OC)c2)s1 ZINC000850118988 661765636 /nfs/dbraw/zinc/76/56/36/661765636.db2.gz FPXOSZZRHHZTJD-UHFFFAOYSA-N 1 0 383.539 2.515 20 0 GFADRO CC(C)(C)OC(=O)N1CCC(CC[NH2+]CC[S@@](=O)CC(F)(F)F)CC1 ZINC000850348195 661770809 /nfs/dbraw/zinc/77/08/09/661770809.db2.gz HLJDRKQXVVFRAA-RUZDIDTESA-N 1 0 386.480 2.924 20 0 GFADRO COC(=O)N(C)CC[NH2+]C1CCN(Cc2ccccc2Br)CC1 ZINC000850389795 661773866 /nfs/dbraw/zinc/77/38/66/661773866.db2.gz GMHVNBAQUIUOPW-UHFFFAOYSA-N 1 0 384.318 2.701 20 0 GFADRO Ic1ccc2c(c1)[C@H]([NH2+]C[C@H]1CN3CCC[C@@H]3CO1)CC2 ZINC000850434015 661775889 /nfs/dbraw/zinc/77/58/89/661775889.db2.gz UAFRRACMFYAHAE-HLLBOEOZSA-N 1 0 398.288 2.731 20 0 GFADRO CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@H]1[NH2+]CC[S@@](=O)CC(F)(F)F ZINC000850497098 661779652 /nfs/dbraw/zinc/77/96/52/661779652.db2.gz RUQRCTQVSIBLME-SMLFXBKZSA-N 1 0 386.480 2.971 20 0 GFADRO C[C@@H]([NH2+]CCS(=O)(=O)CC(F)(F)F)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000850520732 661780933 /nfs/dbraw/zinc/78/09/33/661780933.db2.gz XEVVOMHBPLZOKZ-SNVBAGLBSA-N 1 0 378.416 2.544 20 0 GFADRO Cc1nc(Cl)ccc1S(=O)(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1 ZINC000850590445 661782726 /nfs/dbraw/zinc/78/27/26/661782726.db2.gz JPCOWAJAKDUAII-HUUCEWRRSA-N 1 0 383.876 2.607 20 0 GFADRO COC(=O)c1cc(S(=O)(=O)N2CC[C@@H](C)C[C@H]2C[NH3+])c(Cl)cc1Cl ZINC000850592422 661783022 /nfs/dbraw/zinc/78/30/22/661783022.db2.gz QIGPVAUSIJGGLK-ZJUUUORDSA-N 1 0 395.308 2.528 20 0 GFADRO CS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCCC[C@H]2[C@H]2CCC[NH2+]C2)c1 ZINC000850715739 661788386 /nfs/dbraw/zinc/78/83/86/661788386.db2.gz NGWDTXXIMPVCJK-GUYCJALGSA-N 1 0 384.929 2.738 20 0 GFADRO O=C(Nc1ccc([C@@H]2C[NH2+]CCO2)cc1)N[C@@H]1CC[C@@H]2SCCS[C@@H]12 ZINC000850764902 661790895 /nfs/dbraw/zinc/79/08/95/661790895.db2.gz HKNAGOHUZLJNDB-QZWWFDLISA-N 1 0 379.551 2.849 20 0 GFADRO CC(C)[N@@H+]1CCO[C@@H](COC(=O)[C@@]2(C)CC2(Br)Br)C1 ZINC000850943037 661798574 /nfs/dbraw/zinc/79/85/74/661798574.db2.gz LRLMJVVBWDYFKO-ZYHUDNBSSA-N 1 0 399.123 2.535 20 0 GFADRO CC(C)[C@H]([NH3+])CCNC(=O)N1CCO[C@@H](c2ccccc2Br)C1 ZINC000851678478 661828191 /nfs/dbraw/zinc/82/81/91/661828191.db2.gz ZXDMLEOPRYWXMD-HZPDHXFCSA-N 1 0 384.318 2.905 20 0 GFADRO CC[N@H+](Cc1ccccc1Br)C[C@@](O)(C(N)=O)c1ccccc1 ZINC000851738570 661830002 /nfs/dbraw/zinc/83/00/02/661830002.db2.gz LALDJZOOZJIMGT-SFHVURJKSA-N 1 0 377.282 2.644 20 0 GFADRO C[C@@H]1CC[N@H+](Cc2ccccc2)CCN1CCn1cnc(Br)n1 ZINC000851799902 661832762 /nfs/dbraw/zinc/83/27/62/661832762.db2.gz UYCQWDXDGCFRTA-OAHLLOKOSA-N 1 0 378.318 2.637 20 0 GFADRO NC(=O)[C@@](O)(C[NH2+]C1(c2cccc(Br)c2)CCC1)c1ccccc1 ZINC000851837412 661837564 /nfs/dbraw/zinc/83/75/64/661837564.db2.gz VOUIVYRWJMDOQH-LJQANCHMSA-N 1 0 389.293 2.791 20 0 GFADRO O=S(=O)(NC[C@H]1CCC[N@H+](CC2CC2)C1)c1cnc(Cl)c(Cl)c1 ZINC000851894975 661844015 /nfs/dbraw/zinc/84/40/15/661844015.db2.gz SIRJPYBVYJFZED-GFCCVEGCSA-N 1 0 378.325 2.789 20 0 GFADRO CCOP(=O)(OCC)[C@@H](O)C[NH2+][C@@H](CO)c1ccc(Br)cc1 ZINC000851917445 661845941 /nfs/dbraw/zinc/84/59/41/661845941.db2.gz DNJZFNJLZWFWEJ-UONOGXRCSA-N 1 0 396.218 2.657 20 0 GFADRO COC(CC[NH+]1CCN(Cc2cc(Br)ccc2F)CC1)OC ZINC000852009253 661849010 /nfs/dbraw/zinc/84/90/10/661849010.db2.gz OKAYJVGZHHVQGO-UHFFFAOYSA-N 1 0 375.282 2.715 20 0 GFADRO CC(C)[NH+](CCCNC(=O)N1CCn2ncc(Br)c2C1)C(C)C ZINC000852194940 661856067 /nfs/dbraw/zinc/85/60/67/661856067.db2.gz YPZWVKIZDJBYSD-UHFFFAOYSA-N 1 0 386.338 2.680 20 0 GFADRO NS(=O)(=O)c1ccc(CC[NH2+][C@@H](CO)c2cccc(Cl)c2Cl)cc1 ZINC000852679647 661871188 /nfs/dbraw/zinc/87/11/88/661871188.db2.gz XJDKWBRRKCLPOB-HNNXBMFYSA-N 1 0 389.304 2.507 20 0 GFADRO O=C(c1cccnc1I)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000852837694 661875577 /nfs/dbraw/zinc/87/55/77/661875577.db2.gz ZJBDYPFXLZSGML-CYBMUJFWSA-N 1 0 399.276 2.538 20 0 GFADRO CC[C@@H]1CN(C(=O)c2cnn(-c3ccccc3)c2Br)CC[C@@H]1[NH3+] ZINC000852877873 661876219 /nfs/dbraw/zinc/87/62/19/661876219.db2.gz FEXUHFHVPODMNY-DOMZBBRYSA-N 1 0 377.286 2.834 20 0 GFADRO O=C(Cc1ccc(Br)cc1F)Nc1cnn(C2CC[NH2+]CC2)c1 ZINC000852875789 661876257 /nfs/dbraw/zinc/87/62/57/661876257.db2.gz PQGCIZJZPZBPPN-UHFFFAOYSA-N 1 0 381.249 2.890 20 0 GFADRO CC1(C)C[NH2+]CC[C@H]1NC(=O)c1cnn(-c2ccccc2)c1Br ZINC000852882671 661876491 /nfs/dbraw/zinc/87/64/91/661876491.db2.gz NXGAOSOTAAXUDQ-CQSZACIVSA-N 1 0 377.286 2.753 20 0 GFADRO O=C(CO[C@H]1CCC[NH2+]C1)NCC1(Cc2ccc(Br)cc2)CC1 ZINC000852908091 661877064 /nfs/dbraw/zinc/87/70/64/661877064.db2.gz SZOHNVBNQWNWQG-INIZCTEOSA-N 1 0 381.314 2.657 20 0 GFADRO C[NH+]1CCC(NC(=S)NNc2ccc(Cl)cc2Br)CC1 ZINC000853042399 661879474 /nfs/dbraw/zinc/87/94/74/661879474.db2.gz WOLJQIGHOOVIDX-UHFFFAOYSA-N 1 0 377.739 2.988 20 0 GFADRO CN([C@@H](C[NH3+])C(F)(F)F)S(=O)(=O)/C=C\c1ccc(Br)cc1 ZINC000853081985 661881677 /nfs/dbraw/zinc/88/16/77/661881677.db2.gz ZAABQJJGPMKFLB-ZADCQDASSA-N 1 0 387.221 2.571 20 0 GFADRO Cc1c(Br)cccc1C[C@@H](CO)C[NH2+]C[C@@H](O)c1ccccn1 ZINC000853108884 661882488 /nfs/dbraw/zinc/88/24/88/661882488.db2.gz DGYSKJFDALARSW-RDTXWAMCSA-N 1 0 379.298 2.627 20 0 GFADRO Clc1nc2c(Br)c[nH]c2c(NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)n1 ZINC000853240359 661885921 /nfs/dbraw/zinc/88/59/21/661885921.db2.gz BHPMUXVJVLIXHE-DTWKUNHWSA-N 1 0 386.681 2.649 20 0 GFADRO C[NH+](C)CCOc1ccc(CCNc2ncnc(F)c2Br)cc1 ZINC000853271964 661886668 /nfs/dbraw/zinc/88/66/68/661886668.db2.gz HHDIBXARCYJZLY-UHFFFAOYSA-N 1 0 383.265 2.973 20 0 GFADRO CCc1cc(N2CCC(n3nncc3I)CC2)cc[nH+]1 ZINC000853855890 661904457 /nfs/dbraw/zinc/90/44/57/661904457.db2.gz JUYDWMNEPJYUKC-UHFFFAOYSA-N 1 0 383.237 2.682 20 0 GFADRO [NH3+]C1(Cc2nc(C3(c4cccc(Br)c4)CCOCC3)no2)CC1 ZINC000854150200 661916760 /nfs/dbraw/zinc/91/67/60/661916760.db2.gz FRFMVTZPYKGOLI-UHFFFAOYSA-N 1 0 378.270 2.962 20 0 GFADRO C[NH+](C)C1(CNC(=O)c2cc(S(C)(=O)=O)ncc2Cl)CCCCCC1 ZINC000854262658 661921393 /nfs/dbraw/zinc/92/13/93/661921393.db2.gz IKEGYJCCNKZBCW-UHFFFAOYSA-N 1 0 387.933 2.523 20 0 GFADRO CC(C)C[NH+]1CCN(C(=O)[C@]2(C)CC2(Br)Br)CC1 ZINC000854298270 661922341 /nfs/dbraw/zinc/92/23/41/661922341.db2.gz ZFGKZBDTKODUPW-LBPRGKRZSA-N 1 0 382.140 2.683 20 0 GFADRO Cc1nc(Br)sc1C(=O)N1CCC([N@H+]2CCOC[C@@H]2C)CC1 ZINC000854568718 661939749 /nfs/dbraw/zinc/93/97/49/661939749.db2.gz DTTPMDHRYGTJCJ-JTQLQIEISA-N 1 0 388.331 2.539 20 0 GFADRO C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1c(Br)nc3n1CCCC3)C2 ZINC000854735672 661952408 /nfs/dbraw/zinc/95/24/08/661952408.db2.gz UWDNJDRKXKEYDV-KRWDZBQOSA-N 1 0 381.318 2.540 20 0 GFADRO O=C(N[C@H]1CCC[N@@H+](CCCO)C1)C(F)(F)c1ccc(Br)cc1 ZINC000854743462 661952717 /nfs/dbraw/zinc/95/27/17/661952717.db2.gz MSUDBXUGXOTFGF-AWEZNQCLSA-N 1 0 391.256 2.504 20 0 GFADRO CCC[N@@H+]1CC[C@H](NC(=O)c2nc(Br)ccc2Br)C1 ZINC000856073717 662018307 /nfs/dbraw/zinc/01/83/07/662018307.db2.gz VZPVSYQFQBJXNO-VIFPVBQESA-N 1 0 391.107 2.821 20 0 GFADRO O=C(c1cc2ccc(Br)cc2[nH]1)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000856256406 662027182 /nfs/dbraw/zinc/02/71/82/662027182.db2.gz YPMLEXIIENRWCT-HNNXBMFYSA-N 1 0 392.297 2.602 20 0 GFADRO COc1ccc([C@@H](CNc2cnc(Br)cn2)[NH+](C)C)cc1OC ZINC000856719921 662038254 /nfs/dbraw/zinc/03/82/54/662038254.db2.gz WWACUOSDDFCVRM-GFCCVEGCSA-N 1 0 381.274 2.971 20 0 GFADRO C[C@H]([NH2+]C[C@@H](O)COC1CCOCC1)c1ccc(C(F)(F)F)nc1Cl ZINC000856779332 662043665 /nfs/dbraw/zinc/04/36/65/662043665.db2.gz WSGBDTINXPBROE-WDEREUQCSA-N 1 0 382.810 2.961 20 0 GFADRO C[NH+](C)CCCOc1cnccc1CNC(=O)NCC[C@@H]1CC1(Cl)Cl ZINC000856857673 662047912 /nfs/dbraw/zinc/04/79/12/662047912.db2.gz HUDXXGJVDHBEIU-CQSZACIVSA-N 1 0 389.327 2.795 20 0 GFADRO O=C(NCC[C@H]1CC1(Cl)Cl)NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000856942471 662053137 /nfs/dbraw/zinc/05/31/37/662053137.db2.gz SBQTZDGWWHHLKK-JKSUJKDBSA-N 1 0 386.323 2.636 20 0 GFADRO C[C@H]([NH3+])CCNC(=O)N(CCc1ccc(Cl)cc1)C[C@@H](O)C(F)(F)F ZINC000857110758 662063762 /nfs/dbraw/zinc/06/37/62/662063762.db2.gz WCCZUIUZHRAGDK-SMDDNHRTSA-N 1 0 381.826 2.555 20 0 GFADRO C[NH+](C)CCC[C@H]1CN(C(=O)c2cnc(Br)c(Cl)c2)CCO1 ZINC000857680175 662086686 /nfs/dbraw/zinc/08/66/86/662086686.db2.gz CCVIOZMLWGTQFK-LBPRGKRZSA-N 1 0 390.709 2.680 20 0 GFADRO C[NH+](C)[C@H]1CCc2cc(Br)ccc2N(C(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC000857880057 662093182 /nfs/dbraw/zinc/09/31/82/662093182.db2.gz AVHULSSONUWFRX-LJIGWXMPSA-N 1 0 379.298 2.551 20 0 GFADRO Cc1cnn(CC(=O)N2C[C@@H]([NH+](C)C)CCc3cc(Br)ccc32)c1 ZINC000857882136 662093555 /nfs/dbraw/zinc/09/35/55/662093555.db2.gz GIQLWHMQIKWOBV-INIZCTEOSA-N 1 0 391.313 2.864 20 0 GFADRO Cn1cc(CNC[C@H]2CC[N@H+](CCc3ccccc3)C2)c(Br)n1 ZINC000858123574 662099762 /nfs/dbraw/zinc/09/97/62/662099762.db2.gz DUQUHJCHFBBJNN-MRXNPFEDSA-N 1 0 377.330 2.837 20 0 GFADRO COc1cc(OC)cc([C@H](O)C[NH2+]Cc2cc(C)c(Br)cn2)c1 ZINC000858140397 662100992 /nfs/dbraw/zinc/10/09/92/662100992.db2.gz CTGPQIVYHHYOJV-QGZVFWFLSA-N 1 0 381.270 2.993 20 0 GFADRO Cn1ncc(C[NH2+][C@]2(CO)CCc3cc(Br)ccc3C2)c1Cl ZINC000858240421 662105943 /nfs/dbraw/zinc/10/59/43/662105943.db2.gz LFSYWDIOAZYVDO-MRXNPFEDSA-N 1 0 384.705 2.846 20 0 GFADRO CN1CC[NH+](CCCCNC(=O)/C=C/c2csc(C(F)(F)F)c2)CC1 ZINC000858453261 662111785 /nfs/dbraw/zinc/11/17/85/662111785.db2.gz RJFPEZABDVUSLY-SNAWJCMRSA-N 1 0 375.460 2.924 20 0 GFADRO C[C@]1(Br)C[C@@H]1C(=O)NCCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000858603883 662116119 /nfs/dbraw/zinc/11/61/19/662116119.db2.gz CUCCKPAKTLKFAY-MJGOQNOKSA-N 1 0 394.357 2.879 20 0 GFADRO Cn1nc(Br)c2c1ncnc2NC[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000858681299 662119318 /nfs/dbraw/zinc/11/93/18/662119318.db2.gz GZYBVJXNHBULBB-GFCCVEGCSA-N 1 0 379.306 2.945 20 0 GFADRO C[N@@H+]1CCCC[C@H](CNC(=O)NC[C@H](O)c2ccccc2Br)C1 ZINC000858766504 662122276 /nfs/dbraw/zinc/12/22/76/662122276.db2.gz NVWNCZBAKDLATN-CJNGLKHVSA-N 1 0 384.318 2.514 20 0 GFADRO CC[C@H](C)[N@H+](C)CCNS(=O)(=O)c1ccc(NC(=O)OC)c(Cl)c1 ZINC000858947742 662128620 /nfs/dbraw/zinc/12/86/20/662128620.db2.gz PYSBFUVELCMEKK-NSHDSACASA-N 1 0 377.894 2.527 20 0 GFADRO CC[N@H+](CCNS(=O)(=O)c1c(OC)cccc1OC(F)(F)F)C(C)C ZINC000859121066 662138906 /nfs/dbraw/zinc/13/89/06/662138906.db2.gz RBQGZZSZCNAVMF-UHFFFAOYSA-N 1 0 384.420 2.602 20 0 GFADRO OC[C@]1([NH2+]C[C@H](O)c2ccccc2)CCc2cc(Br)ccc2C1 ZINC000859572621 662167995 /nfs/dbraw/zinc/16/79/95/662167995.db2.gz SBNGIRLCLLOKLE-OALUTQOASA-N 1 0 376.294 2.992 20 0 GFADRO C[C@@H]([NH3+])CN(C)C(=O)Nc1cccc(Oc2ncc(Br)cn2)c1 ZINC000859663299 662171708 /nfs/dbraw/zinc/17/17/08/662171708.db2.gz MRYVXVXQKASJQX-SNVBAGLBSA-N 1 0 380.246 2.842 20 0 GFADRO C[C@@H]([NH2+]CCC(=O)Nc1sc2c(c1C(N)=O)CCCC2)c1ccns1 ZINC000860054455 662185202 /nfs/dbraw/zinc/18/52/02/662185202.db2.gz KVYDZCKDNSJIGB-SNVBAGLBSA-N 1 0 378.523 2.862 20 0 GFADRO CO[C@H]1C[N@H+](C)[C@@](C)(COC(=O)c2cn(C(C)(C)C)nc2Br)C1 ZINC000861349613 662241703 /nfs/dbraw/zinc/24/17/03/662241703.db2.gz UOXYFTBSNMGBKZ-BDJLRTHQSA-N 1 0 388.306 2.667 20 0 GFADRO CO[C@@H]1C[N@H+](C)[C@](C)(COC(=O)[C@H](C)Oc2ccc(Br)cc2)C1 ZINC000861354279 662241960 /nfs/dbraw/zinc/24/19/60/662241960.db2.gz YLCCMFKWSAMPSJ-NUTKFTJISA-N 1 0 386.286 2.869 20 0 GFADRO CO[C@@H]1C[N@H+](C)[C@](C)(COC(=O)c2nn(C(C)(C)C)cc2Br)C1 ZINC000861355933 662242208 /nfs/dbraw/zinc/24/22/08/662242208.db2.gz HBKMBZOFQBLGAU-ZBEGNZNMSA-N 1 0 388.306 2.667 20 0 GFADRO C[NH+]1CCC(CNC(=O)C(=O)Nc2cccc(SC(F)(F)F)c2)CC1 ZINC000861752353 662257684 /nfs/dbraw/zinc/25/76/84/662257684.db2.gz AGZQBDJHBOAIII-UHFFFAOYSA-N 1 0 375.416 2.695 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3[C@@H]4Cc5c(cccc5Br)[C@@H]43)C[C@@H]2C1 ZINC000861773418 662258388 /nfs/dbraw/zinc/25/83/88/662258388.db2.gz CURUMCCBBIUBTJ-RMHMGBASSA-N 1 0 375.310 2.745 20 0 GFADRO O=C(c1c(Cl)nc2cc(Cl)ccn21)N1CCC([NH+]2CCOCC2)CC1 ZINC000862211916 662273572 /nfs/dbraw/zinc/27/35/72/662273572.db2.gz DJPKPPLMVJMLOC-UHFFFAOYSA-N 1 0 383.279 2.578 20 0 GFADRO O=C(c1cc2c(cccc2Br)[nH]1)N1CCC([NH+]2CCOCC2)CC1 ZINC000862216153 662274089 /nfs/dbraw/zinc/27/40/89/662274089.db2.gz ZCXCKCPGRYNLRR-UHFFFAOYSA-N 1 0 392.297 2.867 20 0 GFADRO CCON(CC)C(=O)C[NH2+][C@H](C)CC(=O)Nc1cccc(Br)c1 ZINC000862453416 662288164 /nfs/dbraw/zinc/28/81/64/662288164.db2.gz VHRFWBRFVMUDJL-GFCCVEGCSA-N 1 0 386.290 2.556 20 0 GFADRO COC(=O)C1=CC[C@H]([NH2+]Cc2ccc(F)cc2I)C1 ZINC000862466445 662288772 /nfs/dbraw/zinc/28/87/72/662288772.db2.gz HASZZEPJHNUWQB-LBPRGKRZSA-N 1 0 375.181 2.782 20 0 GFADRO COc1cc(C(=O)NC[C@H]2CC[N@@H+]2C2CCCCC2)cnc1Br ZINC000862627718 662294833 /nfs/dbraw/zinc/29/48/33/662294833.db2.gz DBKICUIHWAIWAJ-CQSZACIVSA-N 1 0 382.302 2.990 20 0 GFADRO [NH3+][C@@H]1CC=C(c2nc(Cc3cccc(F)c3I)no2)C1 ZINC000863666384 662342808 /nfs/dbraw/zinc/34/28/08/662342808.db2.gz WQJVJHKXOFNPBY-SNVBAGLBSA-N 1 0 385.180 2.909 20 0 GFADRO C[C@@]1(C(=O)N[C@@H]2[C@H]3CCC[NH2+][C@H]3C2(C)C)CC1(Br)Br ZINC000864089914 662354291 /nfs/dbraw/zinc/35/42/91/662354291.db2.gz VKCYKRNJBQBLES-WTBMIXGQSA-N 1 0 394.151 2.775 20 0 GFADRO C[C@@]1(C(=O)NC[C@H]2CCC(C)(C)C[NH2+]2)CC1(Br)Br ZINC000864090097 662354373 /nfs/dbraw/zinc/35/43/73/662354373.db2.gz ZOICVMVTSOZVRN-SKDRFNHKSA-N 1 0 382.140 2.777 20 0 GFADRO CC[NH+](CC)CCCNC(=O)c1cnn(C(C)C)c1I ZINC000864440968 662371713 /nfs/dbraw/zinc/37/17/13/662371713.db2.gz UMSQARHOKYNRGD-UHFFFAOYSA-N 1 0 392.285 2.530 20 0 GFADRO C[NH+](C)CC(C)(C)CNC(=O)c1cc(Br)ncc1Br ZINC000864610317 662381562 /nfs/dbraw/zinc/38/15/62/662381562.db2.gz NAGDEABIGPFYFC-UHFFFAOYSA-N 1 0 393.123 2.924 20 0 GFADRO C/C(=C/c1ccc(Br)o1)C(=O)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000864630993 662382002 /nfs/dbraw/zinc/38/20/02/662382002.db2.gz PBUBFNBSUSJULX-PFONDFGASA-N 1 0 396.329 2.685 20 0 GFADRO Fc1ccc(CC[NH2+]Cc2cn(C[C@H]3CCCO3)nn2)cc1Br ZINC000865433267 662421135 /nfs/dbraw/zinc/42/11/35/662421135.db2.gz LFCGAXBWNCWSFZ-CQSZACIVSA-N 1 0 383.265 2.691 20 0 GFADRO OCc1ccc(NC2CC[NH+](Cc3ccccn3)CC2)nc1Br ZINC000865449381 662421978 /nfs/dbraw/zinc/42/19/78/662421978.db2.gz XPMQFILDLJLBMV-UHFFFAOYSA-N 1 0 377.286 2.808 20 0 GFADRO C[C@H](C[NH2+]Cc1cn(C[C@@H]2CCCO2)nn1)Oc1ccc(Br)cc1 ZINC000865480657 662424238 /nfs/dbraw/zinc/42/42/38/662424238.db2.gz ANAZGGCJFVQODZ-DYVFJYSZSA-N 1 0 395.301 2.777 20 0 GFADRO CCCn1cc(C[NH2+]C[C@H](CO)Cc2cc(Br)ccc2F)nn1 ZINC000865591804 662431066 /nfs/dbraw/zinc/43/10/66/662431066.db2.gz NDMXSXAJZKUTAQ-GFCCVEGCSA-N 1 0 385.281 2.531 20 0 GFADRO CC(C)(C)OC(=O)N[C@H](C[NH2+][C@@H]1CCCC(F)(F)[C@H]1O)CC(F)(F)F ZINC000865603435 662431786 /nfs/dbraw/zinc/43/17/86/662431786.db2.gz GUJKDGCPMCXMRE-AXFHLTTASA-N 1 0 376.366 2.970 20 0 GFADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)c2cc3c(ccnc3Cl)s2)CC1 ZINC000865801595 662444372 /nfs/dbraw/zinc/44/43/72/662444372.db2.gz ACDPEKHPIYNRQU-ZDUSSCGKSA-N 1 0 380.945 2.953 20 0 GFADRO Cc1c(Br)cncc1C[NH2+]Cc1ccc(CN2CCNC2=O)cc1 ZINC000865814297 662445003 /nfs/dbraw/zinc/44/50/03/662445003.db2.gz IGPDRJLONKARRP-UHFFFAOYSA-N 1 0 389.297 2.968 20 0 GFADRO C/C(=C/c1ccc(Br)o1)C(=O)NCCCN1CCC[N@@H+](C)CC1 ZINC000865817329 662445278 /nfs/dbraw/zinc/44/52/78/662445278.db2.gz FIRVREPVLUDZHY-YPKPFQOOSA-N 1 0 384.318 2.589 20 0 GFADRO C[N@@H+]1CCn2nc(NCc3cn(-c4ccc(Cl)c(Cl)c4)nn3)cc2C1 ZINC000865844923 662446983 /nfs/dbraw/zinc/44/69/83/662446983.db2.gz JSKRFSQYXFHIJY-UHFFFAOYSA-N 1 0 378.267 2.828 20 0 GFADRO O=C(c1cc(Br)no1)N1CCCN(Cc2ccc(F)cc2)CC1 ZINC000865897536 662449843 /nfs/dbraw/zinc/44/98/43/662449843.db2.gz RLWOKVASYZYRNB-UHFFFAOYSA-N 1 0 382.233 2.924 20 0 GFADRO COC1CC[NH+](CCNC(=O)c2cc(F)c(Br)cc2F)CC1 ZINC000866416215 662471706 /nfs/dbraw/zinc/47/17/06/662471706.db2.gz PJALAQPLQQLEIG-UHFFFAOYSA-N 1 0 377.229 2.568 20 0 GFADRO CCC[NH+]1CCC(N(C)S(=O)(=O)c2cc3nc(Cl)ncc3s2)CC1 ZINC000866593165 662482590 /nfs/dbraw/zinc/48/25/90/662482590.db2.gz WNCUIKMFKRRPRS-UHFFFAOYSA-N 1 0 388.946 2.840 20 0 GFADRO COC[C@@H]([NH2+]C1CCN([C@H]2CCOC2)CC1)c1cccc(Br)c1 ZINC000866598205 662483189 /nfs/dbraw/zinc/48/31/89/662483189.db2.gz UIAPOCQDXLFZFA-ZWKOTPCHSA-N 1 0 383.330 2.980 20 0 GFADRO C[C@H](Cc1ccc(Br)cc1)[NH2+]Cc1nc2c(c(=O)[nH]1)COCC2 ZINC000866628666 662484631 /nfs/dbraw/zinc/48/46/31/662484631.db2.gz LTNYDPAHWVCGKY-LLVKDONJSA-N 1 0 378.270 2.738 20 0 GFADRO Cc1ccc(Br)c(CS(=O)(=O)N(C)C2CCC([NH3+])CC2)c1 ZINC000866741719 662493565 /nfs/dbraw/zinc/49/35/65/662493565.db2.gz HUVNEEICRLAHPA-UHFFFAOYSA-N 1 0 375.332 2.789 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(S(=O)(=O)Cc3ccc(F)cc3Cl)C2)C1 ZINC000866775265 662497271 /nfs/dbraw/zinc/49/72/71/662497271.db2.gz YXHQUWAXQFHJQU-VMGRFDJRSA-N 1 0 390.908 2.527 20 0 GFADRO COC(=O)Nc1ccc(S(=O)(=O)N[C@H]2CC[NH2+]CC(C)(C)C2)cc1Cl ZINC000866796310 662499441 /nfs/dbraw/zinc/49/94/41/662499441.db2.gz CEZLHYGLHMXDCP-NSHDSACASA-N 1 0 389.905 2.575 20 0 GFADRO COc1ccc(S(=O)(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)c(Cl)c1Cl ZINC000866809937 662500717 /nfs/dbraw/zinc/50/07/17/662500717.db2.gz OOOAZTSXYIULPU-JGPRNRPPSA-N 1 0 379.309 2.811 20 0 GFADRO C[N@H+](CC1CC1)C[C@H]1CCN(S(=O)(=O)c2ccc3onc(Cl)c3c2)C1 ZINC000866904446 662507661 /nfs/dbraw/zinc/50/76/61/662507661.db2.gz QZXMFAPHMATTSU-CYBMUJFWSA-N 1 0 383.901 2.834 20 0 GFADRO CC(C)OCC[NH+]1CCC(NS(=O)(=O)Cc2ccc(F)cc2Cl)CC1 ZINC000866907691 662507902 /nfs/dbraw/zinc/50/79/02/662507902.db2.gz HXGRJGZLLFMHHV-UHFFFAOYSA-N 1 0 392.924 2.788 20 0 GFADRO C/C(=C\c1ccc(Br)o1)C(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000867012773 662516609 /nfs/dbraw/zinc/51/66/09/662516609.db2.gz PJDSXECPEJYNDJ-OUKQBFOZSA-N 1 0 385.302 2.751 20 0 GFADRO CN(Cc1c(Cl)cccc1Cl)C(=O)C(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000867340470 662543467 /nfs/dbraw/zinc/54/34/67/662543467.db2.gz MAQKGSDJBQZHAH-BLLLJJGKSA-N 1 0 384.307 2.504 20 0 GFADRO C/C(=C/c1ccc(Br)o1)C(=O)N[C@H](C)CC[NH+]1CCN(C)CC1 ZINC000867479890 662553161 /nfs/dbraw/zinc/55/31/61/662553161.db2.gz LZQFTQFMKVPPLI-WUFNSSIPSA-N 1 0 384.318 2.588 20 0 GFADRO O=S(=O)(CCC[NH+]1CCCC1)Oc1ccc(N=S2(=O)CCCC2)cc1 ZINC000867482878 662553519 /nfs/dbraw/zinc/55/35/19/662553519.db2.gz IOOWURNFMPDNMH-UHFFFAOYSA-N 1 0 386.539 2.774 20 0 GFADRO C[NH+](C)C1(C)CCC(NS(=O)(=O)c2cc3nc(Cl)ncc3s2)CC1 ZINC000867741367 662571621 /nfs/dbraw/zinc/57/16/21/662571621.db2.gz BJOZGMFMAHUDQY-UHFFFAOYSA-N 1 0 388.946 2.886 20 0 GFADRO C[NH+](C)[C@@H]1CCCN(C(=O)c2ccc(I)cc2O)CC1 ZINC000867813173 662579392 /nfs/dbraw/zinc/57/93/92/662579392.db2.gz RVRUAUNHLXRQIV-GFCCVEGCSA-N 1 0 388.249 2.553 20 0 GFADRO [NH3+][C@H](C(=O)NC[C@H]1OCCc2ccccc21)c1cccc(Br)c1 ZINC000867927751 662587669 /nfs/dbraw/zinc/58/76/69/662587669.db2.gz NCDLJRMJNJBOQE-SJORKVTESA-N 1 0 375.266 2.879 20 0 GFADRO COc1ccc(OC)c(CCNC(=O)[C@@H]([NH3+])c2cccc(Br)c2)c1 ZINC000867943508 662588509 /nfs/dbraw/zinc/58/85/09/662588509.db2.gz XLTDYJOWSXUJRC-KRWDZBQOSA-N 1 0 393.281 2.825 20 0 GFADRO O=C(NCC1=CC[NH2+]CC1)c1ccc(OC(F)(F)F)cc1Br ZINC000867968865 662589901 /nfs/dbraw/zinc/58/99/01/662589901.db2.gz IVFGAFUPTWTYSV-UHFFFAOYSA-N 1 0 379.176 2.997 20 0 GFADRO [NH3+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1[C@@H]3c4cc(Br)ccc4C[C@H]13)C2 ZINC000867982592 662590484 /nfs/dbraw/zinc/59/04/84/662590484.db2.gz UHIDLDUBRIUPQG-VMRMDKAQSA-N 1 0 375.310 2.922 20 0 GFADRO Cc1csc(C(=O)N[C@@H](C)C2CC[NH2+]CC2)c1I ZINC000868014717 662591526 /nfs/dbraw/zinc/59/15/26/662591526.db2.gz UXIWKJJYRRDINY-VIFPVBQESA-N 1 0 378.279 2.779 20 0 GFADRO COCCC1(NC(=O)[C@H](C)Oc2ccc(C)cc2Br)CC[NH2+]CC1 ZINC000868042636 662592256 /nfs/dbraw/zinc/59/22/56/662592256.db2.gz RGDBSMORFYMMCL-AWEZNQCLSA-N 1 0 399.329 2.800 20 0 GFADRO Cc1csc([C@@](O)(CC(=O)Nc2cc(F)cc(C[NH3+])c2)C(F)(F)F)n1 ZINC000868068133 662593354 /nfs/dbraw/zinc/59/33/54/662593354.db2.gz ICENAXSJFURPSE-AWEZNQCLSA-N 1 0 377.363 2.828 20 0 GFADRO CCOc1cc(Br)c(CC(=O)N2CC[C@](C)([NH3+])C2)cc1OCC ZINC000868077350 662593683 /nfs/dbraw/zinc/59/36/83/662593683.db2.gz WKEYHESTSQWLPS-KRWDZBQOSA-N 1 0 385.302 2.739 20 0 GFADRO COCCOc1ccc(Br)cc1NC(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000868143959 662596024 /nfs/dbraw/zinc/59/60/24/662596024.db2.gz BYTXKANHITYEBV-DZGCQCFKSA-N 1 0 398.301 2.833 20 0 GFADRO CC[NH+]1CCC(NC(=O)N[C@H](COC)c2cccc(Br)c2)CC1 ZINC000868351864 662602537 /nfs/dbraw/zinc/60/25/37/662602537.db2.gz JNXFQNIIWJUGLP-MRXNPFEDSA-N 1 0 384.318 2.920 20 0 GFADRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NCc1ncc(Br)s1 ZINC000868365566 662603131 /nfs/dbraw/zinc/60/31/31/662603131.db2.gz OGLJCVVXXXLBIE-MNOVXSKESA-N 1 0 375.336 2.825 20 0 GFADRO C[N@@H+]1CCC[C@]2(CCN(C(=O)c3cc(Br)cn4ccnc34)C2)C1 ZINC000868572396 662610142 /nfs/dbraw/zinc/61/01/42/662610142.db2.gz RRSCWFHHCLPPFQ-KRWDZBQOSA-N 1 0 377.286 2.655 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)NCc1ccc(Br)cn1)c1ccccc1 ZINC000869118347 662630083 /nfs/dbraw/zinc/63/00/83/662630083.db2.gz VXGWSUDGBJVADL-INIZCTEOSA-N 1 0 377.286 2.946 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)NCc1ccc(Br)cn1)c1ccccc1 ZINC000869118348 662630094 /nfs/dbraw/zinc/63/00/94/662630094.db2.gz VXGWSUDGBJVADL-MRXNPFEDSA-N 1 0 377.286 2.946 20 0 GFADRO COCCN(CC1CC[NH+](C)CC1)C(=O)c1ccc(Br)cc1O ZINC000869762518 662660391 /nfs/dbraw/zinc/66/03/91/662660391.db2.gz NQGGWOHYXOOCHI-UHFFFAOYSA-N 1 0 385.302 2.585 20 0 GFADRO Cn1ncc(Br)c1C(=O)NCC1(c2ccccc2)CC[NH+](C)CC1 ZINC000870187033 662677819 /nfs/dbraw/zinc/67/78/19/662677819.db2.gz ARHZRIVWNDBQDX-UHFFFAOYSA-N 1 0 391.313 2.576 20 0 GFADRO O=C(c1cc(Br)cn2ccnc12)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000870853332 662703538 /nfs/dbraw/zinc/70/35/38/662703538.db2.gz XZAARBXNKVVQCT-HNNXBMFYSA-N 1 0 377.286 2.701 20 0 GFADRO Cc1csc(N2CCN(C(=O)[C@H]([NH3+])c3cccc(Br)c3)CC2)n1 ZINC000870864178 662703998 /nfs/dbraw/zinc/70/39/98/662703998.db2.gz FWORJHLVVIMIOH-CQSZACIVSA-N 1 0 395.326 2.563 20 0 GFADRO [NH3+][C@H]1CC[C@H](C(=O)N2CCN(C(=O)c3cc(Cl)cc(Cl)c3)CC2)CC1 ZINC000870864215 662704008 /nfs/dbraw/zinc/70/40/08/662704008.db2.gz VNVNXEMAWZJZAJ-YGUOUDRMSA-N 1 0 384.307 2.795 20 0 GFADRO O=C(Nc1cc(Br)c[nH]c1=O)c1csc(C2CC[NH2+]CC2)n1 ZINC000870874124 662704312 /nfs/dbraw/zinc/70/43/12/662704312.db2.gz ULLSEWSXFSNSGH-UHFFFAOYSA-N 1 0 383.271 2.726 20 0 GFADRO COc1cc(Br)c(CNC(=O)CCC23CC(C2)C[NH2+]3)cc1OC ZINC000870879909 662704625 /nfs/dbraw/zinc/70/46/25/662704625.db2.gz RKUGCZKYWSVQNL-UHFFFAOYSA-N 1 0 383.286 2.615 20 0 GFADRO O=C(CC[NH2+]CC1CC1)NCc1nc(-c2cccc(Br)c2)no1 ZINC000870931805 662708690 /nfs/dbraw/zinc/70/86/90/662708690.db2.gz NLTYMQFUCPLASR-UHFFFAOYSA-N 1 0 379.258 2.505 20 0 GFADRO [NH3+][C@@H](C(=O)NCc1cccnc1N1CCCC1)c1cccc(Br)c1 ZINC000870952769 662711518 /nfs/dbraw/zinc/71/15/18/662711518.db2.gz WZMFIIAZUSNBQK-MRXNPFEDSA-N 1 0 389.297 2.761 20 0 GFADRO C[C@]([NH3+])(C(=O)NC[C@@H]1CCC12CCOCC2)c1ccc(Br)cc1 ZINC000870961734 662711633 /nfs/dbraw/zinc/71/16/33/662711633.db2.gz MIUVXCVJKMGSTK-WMLDXEAASA-N 1 0 381.314 2.946 20 0 GFADRO [NH3+][C@H]1C[C@@H](CNC(=O)c2ccc(NC(=O)CSc3cccs3)cc2)C1 ZINC000870965421 662711694 /nfs/dbraw/zinc/71/16/94/662711694.db2.gz KWZMEBLWWUABOA-XBXGTLAGSA-N 1 0 375.519 2.946 20 0 GFADRO Cn1c(-c2ccc(F)cc2Br)nnc1N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000871044873 662713977 /nfs/dbraw/zinc/71/39/77/662713977.db2.gz CNCCAZNKZWJYPM-XHDPSFHLSA-N 1 0 394.292 2.914 20 0 GFADRO CCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000871063880 662714682 /nfs/dbraw/zinc/71/46/82/662714682.db2.gz KOUOFCNAGNXUGB-BXUZGUMPSA-N 1 0 379.306 2.586 20 0 GFADRO COC(=O)[C@H](c1ccc(Br)s1)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000871397467 662722499 /nfs/dbraw/zinc/72/24/99/662722499.db2.gz TYHBHMWVYMZFQE-BREBYQMCSA-N 1 0 389.315 2.523 20 0 GFADRO O=c1c2cnn(C3CC[NH2+]CC3)c2ncn1Cc1cc(Cl)ccc1Cl ZINC000871676043 662731040 /nfs/dbraw/zinc/73/10/40/662731040.db2.gz SZHADGGXZKDJMF-UHFFFAOYSA-N 1 0 378.263 2.873 20 0 GFADRO O=C(NCc1nc(C2C[C@H]3CC[C@@H](C2)[NH2+]3)no1)c1ccc(Br)cc1 ZINC000871800395 662734274 /nfs/dbraw/zinc/73/42/74/662734274.db2.gz IBXFJPMMAVHAIE-QXMXGUDHSA-N 1 0 391.269 2.760 20 0 GFADRO Cc1ccc(S(=O)(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)cc1C(F)(F)F ZINC000871814033 662735440 /nfs/dbraw/zinc/73/54/40/662735440.db2.gz OGLOKWWZKSWMQA-BXKDBHETSA-N 1 0 390.349 2.772 20 0 GFADRO COc1ccc(Br)c(S(=O)(=O)N(C)CCCCCC[NH3+])c1 ZINC000871821426 662735871 /nfs/dbraw/zinc/73/58/71/662735871.db2.gz UDAYXRKEAQIXCS-UHFFFAOYSA-N 1 0 379.320 2.597 20 0 GFADRO COC[C@H](N[C@@H]1CCN(CC(F)(F)F)C1=O)c1cccc(Br)c1 ZINC000871924023 662742389 /nfs/dbraw/zinc/74/23/89/662742389.db2.gz ANCBCFDDMRXNLB-OLZOCXBDSA-N 1 0 395.219 2.889 20 0 GFADRO OC1CCN(CCC[NH2+][C@H](c2cccc(Br)c2)[C@H]2CCOC2)CC1 ZINC000872028698 662754052 /nfs/dbraw/zinc/75/40/52/662754052.db2.gz SAJZEHZLGOJRBY-QFBILLFUSA-N 1 0 397.357 2.963 20 0 GFADRO OC1CCN(CCC[NH2+][C@@H](c2cccc(Br)c2)[C@@H]2CCOC2)CC1 ZINC000872028696 662754096 /nfs/dbraw/zinc/75/40/96/662754096.db2.gz SAJZEHZLGOJRBY-APWZRJJASA-N 1 0 397.357 2.963 20 0 GFADRO CS(=O)(=O)C1(C[NH2+][C@@H](c2cccc(Br)c2)[C@H]2CCOC2)CC1 ZINC000872069272 662754967 /nfs/dbraw/zinc/75/49/67/662754967.db2.gz OHFGQLMYZVVUBU-ZFWWWQNUSA-N 1 0 388.327 2.694 20 0 GFADRO CC[C@@H]([NH2+]CCNS(=O)(=O)c1ccc(F)cc1Cl)[C@@H]1CCCOC1 ZINC000872070651 662755081 /nfs/dbraw/zinc/75/50/81/662755081.db2.gz VUFRICDMNGZVGF-IUODEOHRSA-N 1 0 378.897 2.552 20 0 GFADRO CC(C)(C)[C@H]1C[C@H]([NH2+]CCNC(=O)c2ccc(Br)cn2)CCO1 ZINC000872083987 662755647 /nfs/dbraw/zinc/75/56/47/662755647.db2.gz GDOTWPZETNDOKH-UKRRQHHQSA-N 1 0 384.318 2.757 20 0 GFADRO CN(C)c1ccc(-c2noc([C@]3(C[NH3+])CCCOC3)n2)cc1Br ZINC000872183039 662757459 /nfs/dbraw/zinc/75/74/59/662757459.db2.gz YMOFBCUTRDDKDJ-INIZCTEOSA-N 1 0 381.274 2.572 20 0 GFADRO [NH3+]C[C@]1(c2nc(Cc3c(F)ccc(Br)c3F)no2)CCCOC1 ZINC000872182276 662757526 /nfs/dbraw/zinc/75/75/26/662757526.db2.gz WBADPRDXHMDWGQ-OAHLLOKOSA-N 1 0 388.212 2.708 20 0 GFADRO Cc1cc(Br)ccc1CN(C)C(=O)C(=O)N(C)CCCCCC[NH3+] ZINC000872192200 662757754 /nfs/dbraw/zinc/75/77/54/662757754.db2.gz SPKHFVUYLQJOLS-UHFFFAOYSA-N 1 0 398.345 2.693 20 0 GFADRO Cn1ccnc1[C@H]1C[C@@H]([NH2+]C[C@@H](O)c2ccc(Br)cc2)CCO1 ZINC000872209150 662758032 /nfs/dbraw/zinc/75/80/32/662758032.db2.gz GENFXDXGHOGLCA-ARFHVFGLSA-N 1 0 380.286 2.726 20 0 GFADRO CCOC(=O)c1cc(C[NH2+]C[C@@H](O)c2ccc(F)c(Br)c2)on1 ZINC000872226849 662758159 /nfs/dbraw/zinc/75/81/59/662758159.db2.gz WSHHTCGHOOAVNJ-CQSZACIVSA-N 1 0 387.205 2.576 20 0 GFADRO O[C@@H](C[NH2+]C[C@@H]1CC2(CO1)CCOCC2)c1ccc(F)c(Br)c1 ZINC000872230294 662758442 /nfs/dbraw/zinc/75/84/42/662758442.db2.gz XKIKYMJSKSOOIE-BBRMVZONSA-N 1 0 388.277 2.797 20 0 GFADRO O[C@H](C[NH2+]C[C@@H]1CCC12CCOCC2)COc1cccc(Br)c1 ZINC000872229794 662758474 /nfs/dbraw/zinc/75/84/74/662758474.db2.gz SPFPPYLJBNRMMN-GOEBONIOSA-N 1 0 384.314 2.985 20 0 GFADRO C[C@H]([NH2+]C[C@@H](O)COc1ccc(Cl)cc1Br)c1ccnn1C ZINC000872238418 662758830 /nfs/dbraw/zinc/75/88/30/662758830.db2.gz HKBLIQAOKDVEJK-CMPLNLGQSA-N 1 0 388.693 2.927 20 0 GFADRO CC1(C)CC[NH2+]CCN1C(=O)CNC(=O)c1sc2ccccc2c1Cl ZINC000872298105 662760002 /nfs/dbraw/zinc/76/00/02/662760002.db2.gz AIVLTXLHXRSQIG-UHFFFAOYSA-N 1 0 379.913 2.885 20 0 GFADRO CC(C)[N@H+](C)Cc1ccccc1CNS(=O)(=O)N=[S@](C)(=O)C(C)(C)C ZINC000872436629 662766392 /nfs/dbraw/zinc/76/63/92/662766392.db2.gz LKYQQBAWTZVVSH-XMMPIXPASA-N 1 0 389.587 2.758 20 0 GFADRO CSc1nc(Cl)c(F)c(N2CCC(C)(C[NH+]3CCN(C)CC3)CC2)n1 ZINC000872508596 662774052 /nfs/dbraw/zinc/77/40/52/662774052.db2.gz GIEBNZHOPOTKNA-UHFFFAOYSA-N 1 0 387.956 2.845 20 0 GFADRO C[C@H](NC(=O)NC[C@@]1([NH+](C)C)CCSC1)c1ccc(C(F)(F)F)nc1 ZINC000872925133 662793849 /nfs/dbraw/zinc/79/38/49/662793849.db2.gz LGDNHNKUEKRUNP-NHYWBVRUSA-N 1 0 376.448 2.898 20 0 GFADRO O=C(NCc1ncc(Cl)s1)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000873065287 662798240 /nfs/dbraw/zinc/79/82/40/662798240.db2.gz QBQJPJRBKMKKRC-UHFFFAOYSA-N 1 0 379.917 2.903 20 0 GFADRO COc1ccc(Cn2cc(C[NH2+][C@@H]3CC[C@@H]4SCCS[C@H]34)nn2)cc1 ZINC000873097853 662799636 /nfs/dbraw/zinc/79/96/36/662799636.db2.gz XFVIZEJOLCLKEE-FGTMMUONSA-N 1 0 376.551 2.804 20 0 GFADRO Cc1cc(F)c(Br)cc1NC(=O)C(=O)N(C)CCCCCC[NH3+] ZINC000873111326 662800165 /nfs/dbraw/zinc/80/01/65/662800165.db2.gz KYMNFRQUUUIWHS-UHFFFAOYSA-N 1 0 388.281 2.813 20 0 GFADRO Cc1ccc([C@@H](NCc2cc3c(s2)CC[NH2+]C3)[C@H](C)S(C)(=O)=O)cc1 ZINC000873210863 662803963 /nfs/dbraw/zinc/80/39/63/662803963.db2.gz QUDMQFUMTIEWKU-LIRRHRJNSA-N 1 0 378.563 2.966 20 0 GFADRO [NH3+]C[C@@H]1CN(Cc2ccccc2I)C[C@@H]1C(F)(F)F ZINC000873226900 662804109 /nfs/dbraw/zinc/80/41/09/662804109.db2.gz DMOJUFCPNFTFIX-MNOVXSKESA-N 1 0 384.183 2.860 20 0 GFADRO COCCC1(NCc2cc(OC)c(OC)cc2Br)CC[NH2+]CC1 ZINC000873225223 662804187 /nfs/dbraw/zinc/80/41/87/662804187.db2.gz UYDLYSNXTKSVOK-UHFFFAOYSA-N 1 0 387.318 2.715 20 0 GFADRO CC(=O)Nc1ccc(Cl)c(NC(=O)N2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)c1 ZINC000873304449 662805002 /nfs/dbraw/zinc/80/50/02/662805002.db2.gz QJXBGVPTGACAMP-GXSJLCMTSA-N 1 0 378.782 2.899 20 0 GFADRO COC(=O)c1cc(Cl)cc(NC(=O)N2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1 ZINC000873307454 662805101 /nfs/dbraw/zinc/80/51/01/662805101.db2.gz ADMYTRMGNNSPDR-CABZTGNLSA-N 1 0 379.766 2.728 20 0 GFADRO CCc1ccc(Br)c(NC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000873666266 662811507 /nfs/dbraw/zinc/81/15/07/662811507.db2.gz BHNGWJPEHXFUIB-KGLIPLIRSA-N 1 0 394.313 2.693 20 0 GFADRO C[C@@H](NC(=O)C1(Br)CC1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000874263629 662827023 /nfs/dbraw/zinc/82/70/23/662827023.db2.gz KSCXYOGYTZAVCR-GFCCVEGCSA-N 1 0 384.293 2.682 20 0 GFADRO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)c1cc(=O)c2cc(Br)ccc2o1 ZINC000874825175 662837436 /nfs/dbraw/zinc/83/74/36/662837436.db2.gz OKSFUSWUWAOWSQ-ZIAGYGMSSA-N 1 0 391.265 2.864 20 0 GFADRO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)c1ccc(I)cc1F ZINC000874825386 662837442 /nfs/dbraw/zinc/83/74/42/662837442.db2.gz JBQDYUMCFPQGPU-ZIAGYGMSSA-N 1 0 388.224 2.739 20 0 GFADRO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)c1cnc2ncc(Br)cc2c1 ZINC000874829063 662837658 /nfs/dbraw/zinc/83/76/58/662837658.db2.gz JODFCIXHRMJCMO-GJZGRUSLSA-N 1 0 375.270 2.701 20 0 GFADRO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)c1cnnn1-c1c(Cl)cccc1Cl ZINC000874831422 662837817 /nfs/dbraw/zinc/83/78/17/662837817.db2.gz XYFOLVSQKMRPEQ-KBPBESRZSA-N 1 0 380.279 2.883 20 0 GFADRO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)c1c(F)cccc1I ZINC000874840057 662838154 /nfs/dbraw/zinc/83/81/54/662838154.db2.gz ZUGKWAXWURIBKN-QWHCGFSZSA-N 1 0 388.224 2.739 20 0 GFADRO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)C[C@H]1Sc2ccc(Cl)cc2NC1=O ZINC000874847768 662838291 /nfs/dbraw/zinc/83/82/91/662838291.db2.gz QSMQHCBQRCXQCZ-IIAWOOMASA-N 1 0 379.913 2.838 20 0 GFADRO COc1cc(/C=C/C(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3C)cc(Br)c1O ZINC000874847044 662838351 /nfs/dbraw/zinc/83/83/51/662838351.db2.gz LYGLUCMGZKIADP-MUHKLVGJSA-N 1 0 395.297 2.872 20 0 GFADRO Cn1cc([C@H]2C[N@H+](C)CC[C@H]2C(=O)Oc2ccc(Br)cc2F)cn1 ZINC000875023108 662841012 /nfs/dbraw/zinc/84/10/12/662841012.db2.gz HVXRMSPRIZYUMY-ZIAGYGMSSA-N 1 0 396.260 2.963 20 0 GFADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)Nc2ccc(F)cc2Br)cn1 ZINC000875179013 662843023 /nfs/dbraw/zinc/84/30/23/662843023.db2.gz YXUVNBFCGZTYQJ-KBPBESRZSA-N 1 0 395.276 2.996 20 0 GFADRO C[NH+](C)CCOc1cc(C(=O)OCc2ccc(Br)cn2)ccn1 ZINC000875530531 662847414 /nfs/dbraw/zinc/84/74/14/662847414.db2.gz CGHHZZOIFFIILE-UHFFFAOYSA-N 1 0 380.242 2.537 20 0 GFADRO Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)Oc2cc(Br)ccc2F)cn1 ZINC000875529944 662847480 /nfs/dbraw/zinc/84/74/80/662847480.db2.gz DHIANZJQMHVHRB-UONOGXRCSA-N 1 0 396.260 2.963 20 0 GFADRO COC[C@H](NC(=O)N1CC[C@H](C[NH+](C)C)C1)c1cccc(Br)c1 ZINC000876232537 662857588 /nfs/dbraw/zinc/85/75/88/662857588.db2.gz IOWATGPKWWVXIB-CJNGLKHVSA-N 1 0 384.318 2.730 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2ncc(Br)s2)[C@H](C)C1 ZINC000876287697 662859106 /nfs/dbraw/zinc/85/91/06/662859106.db2.gz VZTGIVWVKOGLDD-MNOVXSKESA-N 1 0 375.336 2.777 20 0 GFADRO C[N@H+](CCCO)C1CCN(C(=O)NCc2ccc(C(F)(F)F)s2)CC1 ZINC000876343536 662860156 /nfs/dbraw/zinc/86/01/56/662860156.db2.gz WLWNWCNTTDQDKR-UHFFFAOYSA-N 1 0 379.448 2.755 20 0 GFADRO C[C@]1(Br)C[C@H]1C(=O)Nc1ccccc1C(=O)OC1CC[NH2+]CC1 ZINC000876520114 662862444 /nfs/dbraw/zinc/86/24/44/662862444.db2.gz GHVHJPWTYCASAY-GUYCJALGSA-N 1 0 381.270 2.707 20 0 GFADRO CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)[C@@H](F)[C@H]1CC[NH2+]C1 ZINC000876568986 662862891 /nfs/dbraw/zinc/86/28/91/662862891.db2.gz BPHGQHPKYHPENE-HZMBPMFUSA-N 1 0 376.259 2.728 20 0 GFADRO O=C(NC1(c2cccc(Br)c2)CCOCC1)[C@H](F)[C@H]1CC[NH2+]C1 ZINC000876616327 662863549 /nfs/dbraw/zinc/86/35/49/662863549.db2.gz WGYAWDHQTTVDEK-SWLSCSKDSA-N 1 0 385.277 2.519 20 0 GFADRO C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCO[C@H](c2cccc(Br)c2)C1 ZINC000876627750 662863617 /nfs/dbraw/zinc/86/36/17/662863617.db2.gz JZAZCRLZKZYWFT-MVDJLEQUSA-N 1 0 379.298 2.761 20 0 GFADRO COCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](Cc2nccc(C)c2Br)C1 ZINC000876632955 662863857 /nfs/dbraw/zinc/86/38/57/662863857.db2.gz OUGKDWWOPOIPIW-ZIAGYGMSSA-N 1 0 384.318 2.516 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)/C=C/[C@H]1CCC[NH2+]C1 ZINC000876636187 662864030 /nfs/dbraw/zinc/86/40/30/662864030.db2.gz RRHOFWUBWHEVSP-HZRUHFOJSA-N 1 0 394.313 2.758 20 0 GFADRO COc1ccc(Br)cc1[C@@H]1CCCN1C(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000876636613 662864054 /nfs/dbraw/zinc/86/40/54/662864054.db2.gz BKXGUQKSLYCHBN-OBJOEFQTSA-N 1 0 389.240 2.961 20 0 GFADRO COC(=O)c1ccc(C[N@@H+]2CCC[C@H](C3OCCO3)C2)cc1Br ZINC000876681128 662864627 /nfs/dbraw/zinc/86/46/27/662864627.db2.gz YLNXMRBREZYNEL-ZDUSSCGKSA-N 1 0 384.270 2.821 20 0 GFADRO O=C(Nc1nccn1Cc1ccc(Br)cc1)[C@@H](F)[C@@H]1CC[NH2+]C1 ZINC000876705359 662865109 /nfs/dbraw/zinc/86/51/09/662865109.db2.gz YQVWNNOAUATBSJ-OCCSQVGLSA-N 1 0 381.249 2.580 20 0 GFADRO O=C(/C=C/[C@@H]1CCC[NH2+]C1)N[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000876754938 662865918 /nfs/dbraw/zinc/86/59/18/662865918.db2.gz VCUFLDAVFXUZET-QHQUEMGESA-N 1 0 378.314 2.700 20 0 GFADRO C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)[C@@H](F)[C@@H]2CC[NH2+]C2)CC1 ZINC000876772363 662866154 /nfs/dbraw/zinc/86/61/54/662866154.db2.gz BEPNBDDIAZRLHW-UNEWFSDZSA-N 1 0 398.320 2.602 20 0 GFADRO Cc1ccnc(CN2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)c1Br ZINC000876782928 662866291 /nfs/dbraw/zinc/86/62/91/662866291.db2.gz WRPSBFWIWKNFRJ-DOTOQJQBSA-N 1 0 381.362 2.610 20 0 GFADRO Cn1ncc(C[NH3+])c1C(=O)N1CCC(c2ccccc2Br)CC1 ZINC000876898515 662867856 /nfs/dbraw/zinc/86/78/56/662867856.db2.gz SEPZOONOUSHCJB-UHFFFAOYSA-N 1 0 377.286 2.661 20 0 GFADRO O=C(/C=C/[C@@H]1CCC[NH2+]C1)NCc1nc(-c2cccc(Br)c2)no1 ZINC000876910264 662867931 /nfs/dbraw/zinc/86/79/31/662867931.db2.gz BEDILBLOVQJCHN-SYTKJHMZSA-N 1 0 391.269 2.671 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)c2cnc(-c3ccccc3Br)s2)CCCO1 ZINC000876920416 662868099 /nfs/dbraw/zinc/86/80/99/662868099.db2.gz QQAJONSMXVDDHX-LLVKDONJSA-N 1 0 396.310 2.762 20 0 GFADRO CCOC(=O)N1CCC([NH2+]Cc2snc(OC)c2Br)CC1 ZINC000876919640 662868123 /nfs/dbraw/zinc/86/81/23/662868123.db2.gz XXGJJWYOFXHFBY-UHFFFAOYSA-N 1 0 378.292 2.625 20 0 GFADRO C[C@@H]1[C@@H](c2ccc(Br)cc2)OCCN1C(=O)[C@@H](F)[C@@H]1CC[NH2+]C1 ZINC000876963838 662868707 /nfs/dbraw/zinc/86/87/07/662868707.db2.gz ZQLBXWDANYAXSP-OYNZBZHQSA-N 1 0 385.277 2.685 20 0 GFADRO COC(=O)c1ccc(C[NH2+][C@@H]2c3ccccc3C[C@@H]2O)cc1Br ZINC000876967634 662868845 /nfs/dbraw/zinc/86/88/45/662868845.db2.gz JUWIUCMXMWTARI-DLBZAZTESA-N 1 0 376.250 2.984 20 0 GFADRO Cn1ncc(C[NH3+])c1C(=O)N[C@H]1CCCSc2ccc(Br)cc21 ZINC000877027543 662869786 /nfs/dbraw/zinc/86/97/86/662869786.db2.gz ONXNASGHJYMWKS-ZDUSSCGKSA-N 1 0 395.326 2.998 20 0 GFADRO NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNCc3nc(Cl)cs3)c2)C1 ZINC000877026446 662869808 /nfs/dbraw/zinc/86/98/08/662869808.db2.gz CYDNNWWBMXIGLZ-OAHLLOKOSA-N 1 0 378.929 2.784 20 0 GFADRO O=S(=O)(C(F)F)N1CCC(C[NH2+]Cc2cc3c(ccnc3Cl)o2)CC1 ZINC000877039115 662870003 /nfs/dbraw/zinc/87/00/03/662870003.db2.gz HOPOZHAAVUBIAF-UHFFFAOYSA-N 1 0 393.843 2.835 20 0 GFADRO C[C@@H](C[NH2+]CC1CCS(=O)(=O)CC1)Oc1ccc(Br)cc1 ZINC000877066059 662870473 /nfs/dbraw/zinc/87/04/73/662870473.db2.gz BOSYLJMEUYUEFR-LBPRGKRZSA-N 1 0 376.316 2.631 20 0 GFADRO C[C@@H]([NH2+]Cc1cnn2cc(Br)cnc12)[C@@H](O)c1cccc(F)c1 ZINC000877083306 662870876 /nfs/dbraw/zinc/87/08/76/662870876.db2.gz LHBAKHJFKCCMSJ-MEBBXXQBSA-N 1 0 379.233 2.843 20 0 GFADRO CCO[P@@](C)(=O)CC[C@H](C)[NH2+]CCNS(=O)(=O)c1ccc(C)s1 ZINC000877116678 662871276 /nfs/dbraw/zinc/87/12/76/662871276.db2.gz STIHTJZUWYTQHF-LAJNKCICSA-N 1 0 382.488 2.647 20 0 GFADRO CN1CC[C@@H](C[NH2+]CC2CCS(=O)(=O)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000877129061 662871486 /nfs/dbraw/zinc/87/14/86/662871486.db2.gz HWKXELIXCZZOHH-MAUKXSAKSA-N 1 0 388.936 2.886 20 0 GFADRO C[C@@H]([NH2+]C1CC1)C(=O)N1CC2(CCOCC2)c2ccc(Br)cc21 ZINC000877139614 662871566 /nfs/dbraw/zinc/87/15/66/662871566.db2.gz UJJMFPKYZGOAJN-GFCCVEGCSA-N 1 0 379.298 2.984 20 0 GFADRO [NH3+]CC12CCC(CC1)N2C(=O)CCC[S@@](=O)c1ccc(Br)cc1 ZINC000877190168 662872065 /nfs/dbraw/zinc/87/20/65/662872065.db2.gz XJDOIRCPNPCNNB-NIIOXVOMSA-N 1 0 399.354 2.819 20 0 GFADRO CN1CC[C@H]([NH2+][C@@H](CO)C2CCOCC2)C[C@@H]1c1ccc(Br)cc1 ZINC000877194845 662872148 /nfs/dbraw/zinc/87/21/48/662872148.db2.gz CZNQFDBNMLBSRF-GBESFXJTSA-N 1 0 397.357 2.962 20 0 GFADRO C[C@@]([NH3+])(C(=O)N1CCOc2cc(N)ccc2C1)c1ccc(Br)cc1 ZINC000877211107 662872257 /nfs/dbraw/zinc/87/22/57/662872257.db2.gz QGWCOQZJWACRNX-SFHVURJKSA-N 1 0 390.281 2.626 20 0 GFADRO Cc1nc(C2CC[NH2+]CC2)sc1C(=O)N1CCO[C@](C)(C(F)(F)F)C1 ZINC000877235183 662872344 /nfs/dbraw/zinc/87/23/44/662872344.db2.gz QJAPENWOFPPYJX-HNNXBMFYSA-N 1 0 377.432 2.712 20 0 GFADRO O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1[C@@H]2c3ccc(Br)cc3C[C@H]12 ZINC000877245632 662872393 /nfs/dbraw/zinc/87/23/93/662872393.db2.gz HRZHNIULUDXYOS-MIWDRJHESA-N 1 0 375.310 2.982 20 0 GFADRO [NH3+]CCc1ccccc1C(=O)N[C@H]1COc2cccc(Br)c2C1 ZINC000877259613 662872601 /nfs/dbraw/zinc/87/26/01/662872601.db2.gz SJYCKIXPHPDXQS-CYBMUJFWSA-N 1 0 375.266 2.684 20 0 GFADRO O=C(c1cnn(-c2ccccc2)c1Br)N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000877265756 662872801 /nfs/dbraw/zinc/87/28/01/662872801.db2.gz MUFLJBXQWLHVIO-XJKSGUPXSA-N 1 0 389.297 2.849 20 0 GFADRO Cc1csc(C(=O)N2CCC[C@H]3[NH2+]CC[C@H]32)c1I ZINC000877276794 662872890 /nfs/dbraw/zinc/87/28/90/662872890.db2.gz IOLNACKHXVBVEM-NXEZZACHSA-N 1 0 376.263 2.628 20 0 GFADRO O=C(CCC[S@](=O)c1ccc(Br)cc1)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000877278249 662872964 /nfs/dbraw/zinc/87/29/64/662872964.db2.gz MBIGKBNROCYPGO-SYJLOODJSA-N 1 0 399.354 2.690 20 0 GFADRO O=C([C@@H]1CCN(c2cc(Cl)ccc2Cl)C1=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000877280383 662873062 /nfs/dbraw/zinc/87/30/62/662873062.db2.gz HEUJZOPGJMADCC-AEGPPILISA-N 1 0 382.291 2.699 20 0 GFADRO Cc1c(C(=O)N2CCC[C@H]3[NH2+]CC[C@H]32)cnn1-c1ccc(Br)cc1 ZINC000877285496 662873154 /nfs/dbraw/zinc/87/31/54/662873154.db2.gz URZWZMSJZCWGQL-IAGOWNOFSA-N 1 0 389.297 2.910 20 0 GFADRO O=C(c1cc(=O)[nH]c2ccc(Br)cc21)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000877285657 662873247 /nfs/dbraw/zinc/87/32/47/662873247.db2.gz WMLBYLXLUQOXNA-HUUCEWRRSA-N 1 0 376.254 2.669 20 0 GFADRO CCOc1c(Br)cc(C(=O)N2CCC[C@@H]3[NH2+]CC[C@H]32)cc1OC ZINC000877288411 662873306 /nfs/dbraw/zinc/87/33/06/662873306.db2.gz OBIWIFSSHCDTHG-UONOGXRCSA-N 1 0 383.286 2.823 20 0 GFADRO Cc1cccc(CC(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)c1Br ZINC000877327680 662873628 /nfs/dbraw/zinc/87/36/28/662873628.db2.gz WHRYNMFRMTXGAO-HNNXBMFYSA-N 1 0 381.314 2.575 20 0 GFADRO Cc1c(F)c(Br)ccc1C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000877329727 662873747 /nfs/dbraw/zinc/87/37/47/662873747.db2.gz XQGMXCADQPSIOU-LBPRGKRZSA-N 1 0 385.277 2.785 20 0 GFADRO COc1ccc(C(=O)NC[C@H]2Cc3ccccc3C[NH2+]2)c(Br)c1 ZINC000877343029 662873981 /nfs/dbraw/zinc/87/39/81/662873981.db2.gz UKJGUNIEOVSDMG-CQSZACIVSA-N 1 0 375.266 2.902 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)c2cc(Cl)c3c(c2)OCCCO3)C[C@H]1C(F)(F)F ZINC000877369013 662874917 /nfs/dbraw/zinc/87/49/17/662874917.db2.gz KYSPWBDUOFNXBF-GHMZBOCLSA-N 1 0 378.778 2.711 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)CSc2nc3ccccc3s2)C[C@H]1C(F)(F)F ZINC000877368485 662874921 /nfs/dbraw/zinc/87/49/21/662874921.db2.gz UJOJTJWCBAWNNT-VHSXEESVSA-N 1 0 375.441 2.984 20 0 GFADRO O=C(N[C@]12CCC[C@@H]1[NH2+]CC2)c1nn(-c2ccc(F)cc2)cc1Br ZINC000877393807 662875380 /nfs/dbraw/zinc/87/53/80/662875380.db2.gz OWDLFAMTOLGWQB-YOEHRIQHSA-N 1 0 393.260 2.788 20 0 GFADRO COC(=O)N1CCC[C@@H]([C@@H](C)[NH2+]Cc2snc(OC)c2Br)C1 ZINC000877416028 662875703 /nfs/dbraw/zinc/87/57/03/662875703.db2.gz GKTUGRCAOYJTEO-NXEZZACHSA-N 1 0 392.319 2.871 20 0 GFADRO COCCO[C@@H]1C[C@@H](CO)C[N@H+](Cc2ccc(C)c(Br)c2C)C1 ZINC000877481677 662876910 /nfs/dbraw/zinc/87/69/10/662876910.db2.gz PHUWWHUKJXCJGE-NVXWUHKLSA-N 1 0 386.330 2.912 20 0 GFADRO OCC[C@@H](Cc1ccccc1)[NH2+]Cc1cnn2cc(Br)cnc12 ZINC000877498537 662877207 /nfs/dbraw/zinc/87/72/07/662877207.db2.gz RBJBQEQTJCFVFR-INIZCTEOSA-N 1 0 375.270 2.575 20 0 GFADRO CCO[P@](C)(=O)CC[C@H](C)[NH2+][C@H]1CCN(S(=O)(=O)c2ccccc2)C1 ZINC000877534662 662878373 /nfs/dbraw/zinc/87/83/73/662878373.db2.gz MWOGOEWXGRORIS-YWTKSJFSSA-N 1 0 388.470 2.762 20 0 GFADRO Cn1ncc(CCC[NH2+][C@@H]2CCN(C)[C@@H](c3ccc(Br)cc3)C2)n1 ZINC000877550576 662878672 /nfs/dbraw/zinc/87/86/72/662878672.db2.gz IXOOPBMPXRZSAV-SJLPKXTDSA-N 1 0 392.345 2.935 20 0 GFADRO C[C@H](NC(=O)OC(C)(C)C)[C@H](C)[NH2+]Cc1cnn2cc(Br)cnc12 ZINC000877561235 662878873 /nfs/dbraw/zinc/87/88/73/662878873.db2.gz JZLMYFVCLVAMPD-QWRGUYRKSA-N 1 0 398.305 2.883 20 0 GFADRO Cc1ccc(Br)c(F)c1CN1CC[NH+]([C@H]2CCNC(=O)CC2)CC1 ZINC000877572185 662879155 /nfs/dbraw/zinc/87/91/55/662879155.db2.gz BVNOKDKOLXXQAS-CQSZACIVSA-N 1 0 398.320 2.683 20 0 GFADRO CC(C)(C)OC(=O)N[C@@H]1C[C@H]([NH2+]CC[S@](=O)CC(F)(F)F)C12CCC2 ZINC000877622083 662880184 /nfs/dbraw/zinc/88/01/84/662880184.db2.gz FGVXKADFCZJPFE-PAUBXPFVSA-N 1 0 384.464 2.723 20 0 GFADRO COC[C@@H]([NH2+]Cc1ccc(S(N)(=O)=O)cc1)c1cccc(Br)c1 ZINC000877758925 662882911 /nfs/dbraw/zinc/88/29/11/662882911.db2.gz OCCMUWQKXVXPSQ-MRXNPFEDSA-N 1 0 399.310 2.574 20 0 GFADRO CS(=O)(=O)[C@@H]1CCC[C@@H]([NH2+][C@H]2COc3cccc(Br)c3C2)C1 ZINC000877758454 662882929 /nfs/dbraw/zinc/88/29/29/662882929.db2.gz BWCUVYDLKHVDQU-JHJVBQTASA-N 1 0 388.327 2.698 20 0 GFADRO Cn1ncc(I)c1C[NH2+]CCCCOc1ccccc1 ZINC000877776352 662883324 /nfs/dbraw/zinc/88/33/24/662883324.db2.gz HCIVGVBWCKHXNX-UHFFFAOYSA-N 1 0 385.249 2.974 20 0 GFADRO O[C@H](C[NH2+]Cc1cnn2cc(Br)cnc12)Cc1cccc(Cl)c1 ZINC000877811774 662884612 /nfs/dbraw/zinc/88/46/12/662884612.db2.gz WPBPGBPJMBQHDZ-HNNXBMFYSA-N 1 0 395.688 2.838 20 0 GFADRO COC(=O)c1nn(-c2ccc(Cl)c(Cl)c2)cc1C[NH2+]C[C@H]1C[C@H](O)C1 ZINC000877811553 662884678 /nfs/dbraw/zinc/88/46/78/662884678.db2.gz OSCKFQJTJVEGJR-MJHDQNEOSA-N 1 0 384.263 2.826 20 0 GFADRO O=C(C1CC[NH+](C[C@H](O)c2ccc(Cl)c(Cl)c2)CC1)N1CCOCC1 ZINC000877944996 662886664 /nfs/dbraw/zinc/88/66/64/662886664.db2.gz XUGYZFBXRPBHBM-KRWDZBQOSA-N 1 0 387.307 2.598 20 0 GFADRO O=C(Nc1nc(C(F)(F)F)cs1)N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000878038886 662888784 /nfs/dbraw/zinc/88/87/84/662888784.db2.gz IFLRUJPVGNOIGO-NSHDSACASA-N 1 0 378.420 2.927 20 0 GFADRO C[NH+]1CCC(NC(=O)CN2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)CC1 ZINC000878041760 662888803 /nfs/dbraw/zinc/88/88/03/662888803.db2.gz OQVLZCIEWZUSEX-KRWDZBQOSA-N 1 0 386.323 2.577 20 0 GFADRO Cc1nc(CN2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)sc1Br ZINC000878302156 662893623 /nfs/dbraw/zinc/89/36/23/662893623.db2.gz IABQWBSLRBVYEA-YIONKMFJSA-N 1 0 399.402 2.957 20 0 GFADRO COC(=O)c1scc(C)c1NC(=O)[C@@H](C)[NH2+][C@H](CCO)c1cccs1 ZINC000878409344 662895759 /nfs/dbraw/zinc/89/57/59/662895759.db2.gz KCBPNARBDGTXGW-VXGBXAGGSA-N 1 0 382.507 2.945 20 0 GFADRO C[C@H]([NH2+]CCc1nnnn1C)c1nc(-c2ccc(Br)cc2)cs1 ZINC000878423397 662895933 /nfs/dbraw/zinc/89/59/33/662895933.db2.gz GZYKQNYYUCOERP-JTQLQIEISA-N 1 0 393.314 2.989 20 0 GFADRO CS[C@H]1CN(C[C@H](O)c2ccc(Br)cc2)C[C@@H]1[NH+]1CCCC1 ZINC000878429137 662896161 /nfs/dbraw/zinc/89/61/61/662896161.db2.gz AYINUNKLBSPKEA-ULQDDVLXSA-N 1 0 385.371 2.994 20 0 GFADRO C[C@H]([NH2+]C[C@@H](O)c1cc(Br)no1)c1ccc(Br)cn1 ZINC000878538210 662898456 /nfs/dbraw/zinc/89/84/56/662898456.db2.gz VLMSBSBKCBWSOW-OIBJUYFYSA-N 1 0 391.063 2.979 20 0 GFADRO OCC[C@H]([NH2+]C[C@H](O)c1cc(Br)no1)c1ccc(Cl)cc1 ZINC000878618667 662900613 /nfs/dbraw/zinc/90/06/13/662900613.db2.gz DGPFJVCCSKNJJA-RYUDHWBXSA-N 1 0 375.650 2.837 20 0 GFADRO C[N@H+](CCc1cccc(Br)c1)Cc1nc2c(c(=O)[nH]1)COCC2 ZINC000878638344 662901296 /nfs/dbraw/zinc/90/12/96/662901296.db2.gz QFTBKZLBLGMAHE-UHFFFAOYSA-N 1 0 378.270 2.692 20 0 GFADRO O[C@H](CN1CCC([NH2+]Cc2ccccc2)CC1)c1cc(Br)no1 ZINC000878668336 662902037 /nfs/dbraw/zinc/90/20/37/662902037.db2.gz SBTGIEUKRXNVMB-OAHLLOKOSA-N 1 0 380.286 2.725 20 0 GFADRO O=C(Nc1cccnc1Br)N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000878972636 662911825 /nfs/dbraw/zinc/91/18/25/662911825.db2.gz IZAWVQRPHGALHB-ZDUSSCGKSA-N 1 0 383.290 2.609 20 0 GFADRO COC(=O)c1cc(NC(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)ccc1Br ZINC000879107049 662917114 /nfs/dbraw/zinc/91/71/14/662917114.db2.gz RHCBBOMBXMRKQB-XHDPSFHLSA-N 1 0 396.285 2.794 20 0 GFADRO C[N@H+](C[C@@H](O)COc1cc(Cl)cc(Cl)c1)C[C@@H](O)c1ccc(F)cn1 ZINC000879115489 662917821 /nfs/dbraw/zinc/91/78/21/662917821.db2.gz KAKKERZMFAIDOJ-RHSMWYFYSA-N 1 0 389.254 2.933 20 0 GFADRO Cc1cc(Br)c(F)cc1NC(=O)N[C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC000879234433 662921337 /nfs/dbraw/zinc/92/13/37/662921337.db2.gz VGWPOPKSDPKTMD-NSHDSACASA-N 1 0 388.281 2.863 20 0 GFADRO C[N@@H+]1CC[C@H]2CN(CCS(=O)(=O)c3cc(Cl)ccc3Cl)CC[C@H]21 ZINC000879568068 662929547 /nfs/dbraw/zinc/92/95/47/662929547.db2.gz XULHUXZFMGUYLU-SWLSCSKDSA-N 1 0 377.337 2.793 20 0 GFADRO CCOP(=O)(OCC)[C@@H](O)C[NH+]1CCN(c2ccc(F)cc2F)CC1 ZINC000879599716 662930399 /nfs/dbraw/zinc/93/03/99/662930399.db2.gz PCPHCYDVJYKKGO-MRXNPFEDSA-N 1 0 378.356 2.671 20 0 GFADRO Cn1nc(Br)cc1NC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000879642325 662932304 /nfs/dbraw/zinc/93/23/04/662932304.db2.gz MWXOEOSFELYOEX-AAEUAGOBSA-N 1 0 382.306 2.663 20 0 GFADRO Cn1nc(Br)cc1NC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000879642327 662932316 /nfs/dbraw/zinc/93/23/16/662932316.db2.gz MWXOEOSFELYOEX-WCQYABFASA-N 1 0 382.306 2.663 20 0 GFADRO CS(=O)(=O)c1ccc(NC(=O)C[NH2+][C@@H]2CC=CC[C@H]2C(F)(F)F)cc1 ZINC000879669185 662935722 /nfs/dbraw/zinc/93/57/22/662935722.db2.gz JSGCTMHWLKQGIC-ZIAGYGMSSA-N 1 0 376.400 2.515 20 0 GFADRO COCC[N@H+](CC(=O)N(C)Cc1ccccc1Br)C1CCOCC1 ZINC000879706046 662937426 /nfs/dbraw/zinc/93/74/26/662937426.db2.gz LENZYZFFQLIXCN-UHFFFAOYSA-N 1 0 399.329 2.535 20 0 GFADRO CC(C)(C)OC(=O)NC[C@H]1C[N@H+](CCOCC(F)F)C[C@H]1C(F)(F)F ZINC000880026087 662945694 /nfs/dbraw/zinc/94/56/94/662945694.db2.gz DUMBASARZXUHLH-WDEREUQCSA-N 1 0 376.366 2.903 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)Nc2cn(C)nc2Br)C[N@@H+]1Cc1ccccc1 ZINC000880049503 662947582 /nfs/dbraw/zinc/94/75/82/662947582.db2.gz SIQRSTKNWJEWAQ-TZMCWYRMSA-N 1 0 392.301 2.967 20 0 GFADRO Cn1cc(NC(=O)N2CC([N@H+](C)Cc3ccccc3)C2)c(Br)n1 ZINC000880058842 662948554 /nfs/dbraw/zinc/94/85/54/662948554.db2.gz LDDMYVRSVKAPER-UHFFFAOYSA-N 1 0 378.274 2.531 20 0 GFADRO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2CC(=O)Nc1c(F)cc(F)cc1Br ZINC000880133737 662952336 /nfs/dbraw/zinc/95/23/36/662952336.db2.gz JREKYOGJOLVXAV-UONOGXRCSA-N 1 0 388.256 2.834 20 0 GFADRO COc1cc(Br)ccc1NC(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000880627151 662964702 /nfs/dbraw/zinc/96/47/02/662964702.db2.gz BIJDLDWCJQKKNA-UHFFFAOYSA-N 1 0 382.262 2.860 20 0 GFADRO COc1ccc(C(=O)N2CCC[C@@H]([NH2+]C3CCOCC3)C2)c(Br)c1 ZINC000881473146 662995291 /nfs/dbraw/zinc/99/52/91/662995291.db2.gz XYPONNFAHXBGMR-CQSZACIVSA-N 1 0 397.313 2.831 20 0 GFADRO O=C(Cc1cc(Br)ccc1F)N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000881473292 662995375 /nfs/dbraw/zinc/99/53/75/662995375.db2.gz QKMBUTSBVBGUEZ-MRXNPFEDSA-N 1 0 399.304 2.890 20 0 GFADRO O=C(c1ccc(Br)c(F)c1)N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000881472961 662995383 /nfs/dbraw/zinc/99/53/83/662995383.db2.gz WTJMWJPLAVRGTH-AWEZNQCLSA-N 1 0 385.277 2.961 20 0 GFADRO C[C@@H](CC(=O)N1CCN(c2cc[nH+]cc2)[C@H](C)C1)n1cc(Br)cn1 ZINC000881630811 662998439 /nfs/dbraw/zinc/99/84/39/662998439.db2.gz NJWUYCIHJMJZHJ-UONOGXRCSA-N 1 0 392.301 2.729 20 0 GFADRO Cc1sc(Br)nc1C(=O)N1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000881632288 662998487 /nfs/dbraw/zinc/99/84/87/662998487.db2.gz AHCJSURIXSPBRH-SNVBAGLBSA-N 1 0 381.299 2.960 20 0 GFADRO C[C@H]1CN(C(=O)c2[nH]nc(C3CC3)c2Br)CCN1c1cc[nH+]cc1 ZINC000881635905 662998683 /nfs/dbraw/zinc/99/86/83/662998683.db2.gz NKBBJYYCNXSMRM-NSHDSACASA-N 1 0 390.285 2.796 20 0 GFADRO O=S(=O)(NC1CC[NH+](C2CC2)CC1)c1cnc(Cl)cc1C(F)(F)F ZINC000881772924 663002518 /nfs/dbraw/zinc/00/25/18/663002518.db2.gz HTQLMUHKSYOZLL-UHFFFAOYSA-N 1 0 383.823 2.659 20 0 GFADRO CC[NH+]1CCN(CCC(=O)NCc2cc3cc(Br)ccc3o2)CC1 ZINC000881833008 663005165 /nfs/dbraw/zinc/00/51/65/663005165.db2.gz RWULUKRZUZHRFQ-UHFFFAOYSA-N 1 0 394.313 2.839 20 0 GFADRO COC1CC[NH+](C2(CNS(=O)(=O)CC=C(Cl)Cl)CCCC2)CC1 ZINC000881870460 663007207 /nfs/dbraw/zinc/00/72/07/663007207.db2.gz RJTCQZLFWUNIEY-UHFFFAOYSA-N 1 0 385.357 2.648 20 0 GFADRO C[N@@H+]1CC[C@H]2[C@H](CCCN2S(=O)(=O)c2cnc(Cl)cc2C(F)(F)F)C1 ZINC000882001249 663013045 /nfs/dbraw/zinc/01/30/45/663013045.db2.gz NBLUSHVBTZWSOA-PWSUYJOCSA-N 1 0 397.850 2.859 20 0 GFADRO C[NH+](C)CCCC1CCN(S(=O)(=O)N=[S@](C)(=O)C2CCCCC2)CC1 ZINC000882031159 663014159 /nfs/dbraw/zinc/01/41/59/663014159.db2.gz AJWOUASMLXCDNM-XMMPIXPASA-N 1 0 393.619 2.716 20 0 GFADRO Brc1nnc2ccc(N3CCC(CCC[NH+]4CCCC4)CC3)nn12 ZINC000882126363 663017458 /nfs/dbraw/zinc/01/74/58/663017458.db2.gz AJQANBDPKGEFPK-UHFFFAOYSA-N 1 0 393.333 2.979 20 0 GFADRO CCC1([NH+]2CCCCC2)CCN(S(=O)(=O)Cc2cc(OC)ns2)CC1 ZINC000882618374 663033501 /nfs/dbraw/zinc/03/35/01/663033501.db2.gz RMVOFMGNBODHCE-UHFFFAOYSA-N 1 0 387.571 2.712 20 0 GFADRO CC1([NH+]2CCC2)CCN(S(=O)(=O)c2ccc(Br)cc2F)CC1 ZINC000882768309 663041055 /nfs/dbraw/zinc/04/10/55/663041055.db2.gz YODBZZSBNSYMCR-UHFFFAOYSA-N 1 0 391.306 2.837 20 0 GFADRO COC[C@@H]([NH2+]Cc1cn2cc(Br)cc(C)c2n1)[C@@H]1CCCOC1 ZINC000883216329 663051587 /nfs/dbraw/zinc/05/15/87/663051587.db2.gz OJYJWPBWRDUCFA-CZUORRHYSA-N 1 0 382.302 2.936 20 0 GFADRO COC(=O)c1cc(C[NH2+][C@@]2(c3ccc(Br)cc3)C[C@@H](O)C2)cn1C ZINC000883232661 663051751 /nfs/dbraw/zinc/05/17/51/663051751.db2.gz OTWFUGWMRCVHEP-RHNCMZPLSA-N 1 0 393.281 2.714 20 0 GFADRO OC[C@@H](C[NH2+]Cc1cn(-c2ccccc2Br)nn1)Cc1ccoc1 ZINC000883271173 663052123 /nfs/dbraw/zinc/05/21/23/663052123.db2.gz HENCSJBZKNUDNO-CQSZACIVSA-N 1 0 391.269 2.564 20 0 GFADRO COc1cc(Br)c(C[NH2+]CC[C@@H]2CCCS2(=O)=O)cc1OC ZINC000883301148 663053174 /nfs/dbraw/zinc/05/31/74/663053174.db2.gz REXQWEIIXJYDOI-LBPRGKRZSA-N 1 0 392.315 2.523 20 0 GFADRO CCc1nn(C)cc1C[NH2+][C@@H]1CCc2cc(Br)ccc2NC1=O ZINC000883386177 663054506 /nfs/dbraw/zinc/05/45/06/663054506.db2.gz AZELKIIXCAFPHZ-MRXNPFEDSA-N 1 0 377.286 2.788 20 0 GFADRO Clc1cccc(-c2nc(CN3CC[C@H](N4CC[NH2+]CC4)C3)no2)c1Cl ZINC000883430530 663055128 /nfs/dbraw/zinc/05/51/28/663055128.db2.gz XARFCZGAYBBBLI-LBPRGKRZSA-N 1 0 382.295 2.523 20 0 GFADRO CCC1([NH3+])CCN(S(=O)(=O)c2cc(Cl)ccc2OCCCOC)CC1 ZINC000883483909 663056217 /nfs/dbraw/zinc/05/62/17/663056217.db2.gz YSBHHCWUAVVSLS-UHFFFAOYSA-N 1 0 390.933 2.647 20 0 GFADRO [NH3+]Cc1nc2c(s1)CCN(C(=O)Nc1nc(CC(F)(F)F)cs1)C2 ZINC000883567051 663057106 /nfs/dbraw/zinc/05/71/06/663057106.db2.gz NSDKVVCXPVKTCD-UHFFFAOYSA-N 1 0 377.417 2.753 20 0 GFADRO CNC(=O)c1cccc(NC(=O)N(C)C2(C[NH3+])CCCCC2)c1Br ZINC000883563997 663057137 /nfs/dbraw/zinc/05/71/37/663057137.db2.gz FESHGTYRCXBQKQ-UHFFFAOYSA-N 1 0 397.317 2.934 20 0 GFADRO O=C(NCCC[C@@H]1CC1(Cl)Cl)N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000883764952 663060334 /nfs/dbraw/zinc/06/03/34/663060334.db2.gz MAYSJGYEVGOYLK-HIFRSBDPSA-N 1 0 378.344 2.903 20 0 GFADRO [NH3+][C@@H](C(=O)NCc1ccc(N2CCCC2)nc1)c1ccc(Br)cc1 ZINC000884007032 663063714 /nfs/dbraw/zinc/06/37/14/663063714.db2.gz MNKMVEPODFDQCO-QGZVFWFLSA-N 1 0 389.297 2.761 20 0 GFADRO O=C(CCc1cc(Br)c(Br)s1)N[C@H]1CC[NH2+]C1 ZINC000884016501 663063820 /nfs/dbraw/zinc/06/38/20/663063820.db2.gz XPAGNWNYVDSULM-ZETCQYMHSA-N 1 0 382.121 2.684 20 0 GFADRO CCOc1ccc(Br)cc1CN(C(=O)[C@H]([NH3+])CCOC)C1CC1 ZINC000884126809 663065727 /nfs/dbraw/zinc/06/57/27/663065727.db2.gz LHKIBVOEPFTWSF-OAHLLOKOSA-N 1 0 385.302 2.703 20 0 GFADRO C[NH2+][C@@H](CC(C)C)C(=O)Nc1cc(Br)ccc1N1CCOCC1 ZINC000884179566 663066520 /nfs/dbraw/zinc/06/65/20/663066520.db2.gz TXIUKRSERZBDEH-HNNXBMFYSA-N 1 0 384.318 2.858 20 0 GFADRO C[C@@H](NC(=O)[C@H]([NH3+])c1ccc(Br)cc1)c1nnc2n1CCCCC2 ZINC000884182786 663066594 /nfs/dbraw/zinc/06/65/94/663066594.db2.gz TVNBQTXDMGUOAX-IAQYHMDHSA-N 1 0 392.301 2.644 20 0 GFADRO [NH3+][C@@H](C(=O)NCc1nccn1CC(F)(F)F)c1ccc(Br)cc1 ZINC000884212037 663067116 /nfs/dbraw/zinc/06/71/16/663067116.db2.gz UYKRNBLQKSXDLM-GFCCVEGCSA-N 1 0 391.191 2.524 20 0 GFADRO Cc1cc2scc(CC(=O)N3CCCC[C@H]3CNC(=O)CC[NH3+])c2s1 ZINC000884273534 663067959 /nfs/dbraw/zinc/06/79/59/663067959.db2.gz RNHYHOMRZQATTB-AWEZNQCLSA-N 1 0 379.551 2.660 20 0 GFADRO Cc1cc(Br)ccc1CS(=O)(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000884930325 663079123 /nfs/dbraw/zinc/07/91/23/663079123.db2.gz RLMAGIBGSGBELQ-CYBMUJFWSA-N 1 0 387.343 2.661 20 0 GFADRO Cc1cc(Br)c(S(=O)(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)s1 ZINC000884953138 663079398 /nfs/dbraw/zinc/07/93/98/663079398.db2.gz USIURZSJKRHTCD-GHMZBOCLSA-N 1 0 379.345 2.724 20 0 GFADRO O=S(=O)(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cc(Cl)ccc1OC(F)F ZINC000884960467 663079963 /nfs/dbraw/zinc/07/99/63/663079963.db2.gz WAKWUFSEJIIABX-NWDGAFQWSA-N 1 0 380.844 2.847 20 0 GFADRO CCCN(C(=O)C(=O)NCCc1ccc(Cl)c(Cl)c1)C1CC[NH2+]CC1 ZINC000885249178 663087395 /nfs/dbraw/zinc/08/73/95/663087395.db2.gz LMVMQRGXJYXDMO-UHFFFAOYSA-N 1 0 386.323 2.643 20 0 GFADRO O=C(C1C[NH+](C2CCOCC2)C1)N1CC(Cc2ccc(Br)cc2)C1 ZINC000885686916 663095157 /nfs/dbraw/zinc/09/51/57/663095157.db2.gz NRBMZOHUDDIKMT-UHFFFAOYSA-N 1 0 393.325 2.561 20 0 GFADRO COc1cc(C(=O)NC[C@@H]2CC[N@@H+]2C2CCOCC2)sc1Br ZINC000885875782 663100061 /nfs/dbraw/zinc/10/00/61/663100061.db2.gz LUYFTSNCNBENGN-NSHDSACASA-N 1 0 389.315 2.502 20 0 GFADRO Cc1cc(OCC(=O)NC[C@H]2CC[N@@H+]2C2CCOCC2)ccc1Br ZINC000885895286 663100738 /nfs/dbraw/zinc/10/07/38/663100738.db2.gz DABAWVZVARYULV-OAHLLOKOSA-N 1 0 397.313 2.506 20 0 GFADRO O=C(NC[C@H]1CC[N@@H+]1C1CCOCC1)c1cc(F)c(Br)cc1F ZINC000885893577 663100744 /nfs/dbraw/zinc/10/07/44/663100744.db2.gz UDMXAADIKCDWPH-LLVKDONJSA-N 1 0 389.240 2.710 20 0 GFADRO O=C(c1ccc(Br)cc1)N1CC[NH+](C[C@H]2C[C@]23CCOC3)CC1 ZINC000885980350 663102248 /nfs/dbraw/zinc/10/22/48/663102248.db2.gz ZHUMIQQNTFGVOG-QAPCUYQASA-N 1 0 379.298 2.634 20 0 GFADRO Cn1ncc(I)c1C[NH2+][C@@H]1CCOC2(CCCCC2)C1 ZINC000886181883 663104380 /nfs/dbraw/zinc/10/43/80/663104380.db2.gz WBMWONGCURYXMJ-GFCCVEGCSA-N 1 0 389.281 2.996 20 0 GFADRO C[C@@H]1C[C@@]2(CC[C@@H](C[NH2+]Cc3cnc4ccc(Br)cn34)O2)CO1 ZINC000886332817 663108554 /nfs/dbraw/zinc/10/85/54/663108554.db2.gz ZFOYNKNYKAGLNV-PVUWLOKVSA-N 1 0 380.286 2.913 20 0 GFADRO COC[C@H]([NH2+]Cc1cccc(F)c1I)[C@H]1CCCOC1 ZINC000886355735 663108800 /nfs/dbraw/zinc/10/88/00/663108800.db2.gz MYBCHDZCTWOOCH-JSGCOSHPSA-N 1 0 393.240 2.962 20 0 GFADRO COC[C@@H]([NH2+]Cc1cnc2c(C)cc(Br)cn12)[C@@H]1CCCOC1 ZINC000886357939 663108950 /nfs/dbraw/zinc/10/89/50/663108950.db2.gz NGRYWAZNROMPSE-CZUORRHYSA-N 1 0 382.302 2.936 20 0 GFADRO COC(=O)c1cc2n(n1)CCC[C@H]2[NH2+]C[C@H](O)c1cccc(Br)c1 ZINC000886551093 663113635 /nfs/dbraw/zinc/11/36/35/663113635.db2.gz BCTIWGUCHACOHX-CJNGLKHVSA-N 1 0 394.269 2.590 20 0 GFADRO C[C@H]([NH2+]Cc1nnc2c(=O)[nH]ccn12)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000886703610 663115961 /nfs/dbraw/zinc/11/59/61/663115961.db2.gz YZNKOMNPBRGEBN-UWVGGRQHSA-N 1 0 382.251 2.670 20 0 GFADRO O=C1NCCN1CC[NH2+][C@H](c1cccc(Br)c1)C1CCOCC1 ZINC000886744552 663116918 /nfs/dbraw/zinc/11/69/18/663116918.db2.gz ALWKXHVGJGVJRN-INIZCTEOSA-N 1 0 382.302 2.532 20 0 GFADRO OC[C@@]1(C(F)(F)F)CC[N@H+](C[C@@H](O)COc2cc(Cl)cc(Cl)c2)C1 ZINC000886813824 663119908 /nfs/dbraw/zinc/11/99/08/663119908.db2.gz VTYDXBWLFDEYHY-TZMCWYRMSA-N 1 0 388.213 2.980 20 0 GFADRO C[C@@H]([NH2+]C1CCC=CCC1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000886813658 663119941 /nfs/dbraw/zinc/11/99/41/663119941.db2.gz RMLULWWXLUSSSR-CQSZACIVSA-N 1 0 386.539 2.562 20 0 GFADRO NC(=O)[C@H](c1ccc(Br)cc1F)N1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886871752 663123332 /nfs/dbraw/zinc/12/33/32/663123332.db2.gz ACKQZJMKSATEEU-DOTOQJQBSA-N 1 0 384.293 2.580 20 0 GFADRO C[C@@H](NC(=O)C[NH2+][C@@H](C)c1cccc(SC(F)(F)F)c1)C(=O)N(C)C ZINC000886930324 663125095 /nfs/dbraw/zinc/12/50/95/663125095.db2.gz YYVXGBXXUHDEEO-WDEREUQCSA-N 1 0 377.432 2.542 20 0 GFADRO O=C(NC[C@H]1C[NH2+]CCC1(F)F)Nc1cc2c(cc1Cl)OCCCO2 ZINC000886928851 663125098 /nfs/dbraw/zinc/12/50/98/663125098.db2.gz SXYFGGDVQGYGDL-SNVBAGLBSA-N 1 0 375.803 2.868 20 0 GFADRO O=C(NCC[C@H]1CC[NH2+]C1)C(=O)Nc1cc(Br)c2ccccc2c1 ZINC000886982079 663127116 /nfs/dbraw/zinc/12/71/16/663127116.db2.gz FNRBFYKOZVKTSI-GFCCVEGCSA-N 1 0 390.281 2.657 20 0 GFADRO Cc1cc2c(o1)c(C(=O)N1CCN(C)CC[N@@H+](C)CC1)ccc2Br ZINC000888986778 663228753 /nfs/dbraw/zinc/22/87/53/663228753.db2.gz UODHVUXJIAVBAD-UHFFFAOYSA-N 1 0 394.313 2.823 20 0 GFADRO O=C(Nc1cc(Br)c2ccccc2c1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000889468029 663246090 /nfs/dbraw/zinc/24/60/90/663246090.db2.gz NNJUFKQAJIYQJW-LSDHHAIUSA-N 1 0 390.281 2.885 20 0 GFADRO CC1CC[NH+](C2CCC(NC(=O)c3cn(C)nc3Br)CC2)CC1 ZINC000889680894 663255879 /nfs/dbraw/zinc/25/58/79/663255879.db2.gz JRFWTAZUYGQQSC-UHFFFAOYSA-N 1 0 383.334 2.956 20 0 GFADRO Cc1ccc(CCC(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)c(Br)c1 ZINC000889754873 663263240 /nfs/dbraw/zinc/26/32/40/663263240.db2.gz CCRYMXONTRMVAQ-ROUUACIJSA-N 1 0 395.341 2.748 20 0 GFADRO Cc1ccc(F)c(C(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)c1Br ZINC000889755861 663263941 /nfs/dbraw/zinc/26/39/41/663263941.db2.gz JBEPSDQMSYAHDF-KGLIPLIRSA-N 1 0 385.277 2.568 20 0 GFADRO O=C([C@@H]1Cc2cc(Br)ccc2O1)N1CCC([NH2+]C2CCC2)CC1 ZINC000889826564 663270504 /nfs/dbraw/zinc/27/05/04/663270504.db2.gz RRCDWLPDTCAUNP-KRWDZBQOSA-N 1 0 379.298 2.886 20 0 GFADRO CN(CCC[N@H+](C)Cc1ccco1)C(=O)c1nn2c(c1Br)CCC2 ZINC000890909933 663316905 /nfs/dbraw/zinc/31/69/05/663316905.db2.gz YPGGJXZWXXSJAY-UHFFFAOYSA-N 1 0 395.301 2.779 20 0 GFADRO Cn1ncc(Br)c1CC(=O)N1c2ccccc2CC[C@H]1C[NH+](C)C ZINC000891089902 663324769 /nfs/dbraw/zinc/32/47/69/663324769.db2.gz DSQUUZMFUUINAV-AWEZNQCLSA-N 1 0 391.313 2.635 20 0 GFADRO [NH3+]Cc1nc2c(s1)CCN(C(=O)N[C@@H]1CCOc3c(Cl)cccc31)C2 ZINC000891419098 663339055 /nfs/dbraw/zinc/33/90/55/663339055.db2.gz UMLHVTLMMVKHGY-GFCCVEGCSA-N 1 0 378.885 2.847 20 0 GFADRO C[C@H](NC(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO)c1ccc(Br)cc1 ZINC000891528500 663342350 /nfs/dbraw/zinc/34/23/50/663342350.db2.gz MKIBWPBKROPDHD-RRQGHBQHSA-N 1 0 396.329 2.751 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)NCCOCc2ccc(Cl)cc2)C[C@H]1C(F)(F)F ZINC000891713168 663348298 /nfs/dbraw/zinc/34/82/98/663348298.db2.gz ZRSSVRPBBORWEH-TZMCWYRMSA-N 1 0 379.810 2.635 20 0 GFADRO Nc1cc[nH+]c(CNC(=O)N[C@@H]2C[C@H]2c2ccc(Br)c(F)c2)c1 ZINC000891865023 663353364 /nfs/dbraw/zinc/35/33/64/663353364.db2.gz DOEZFWGRYBFUDA-SWLSCSKDSA-N 1 0 379.233 2.921 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)NCc2ccsc2Br)C[C@@H]1C(F)(F)F ZINC000891889114 663354420 /nfs/dbraw/zinc/35/44/20/663354420.db2.gz JULWXSREHVPVLI-IUCAKERBSA-N 1 0 386.237 2.789 20 0 GFADRO CCN(C(=O)NCCc1c[nH]c2cccc(Br)c12)[C@H]1CC[NH2+]C1 ZINC000891903624 663354906 /nfs/dbraw/zinc/35/49/06/663354906.db2.gz DWMGOWGZPSAEBG-ZDUSSCGKSA-N 1 0 379.302 2.866 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)NCCOc2ccc(Cl)c(F)c2)C[C@H]1C(F)(F)F ZINC000891936411 663356100 /nfs/dbraw/zinc/35/61/00/663356100.db2.gz RMILJORFSHXRLP-GXSJLCMTSA-N 1 0 383.773 2.637 20 0 GFADRO CC(C)([NH3+])CNC(=O)N1CC2(CCOCC2)c2ccc(Br)cc21 ZINC000892031100 663359730 /nfs/dbraw/zinc/35/97/30/663359730.db2.gz RRHWQDFEMIFVER-UHFFFAOYSA-N 1 0 382.302 2.764 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)N(C)C[C@@H](O)COc2cc(Cl)cc(Cl)c2)CC[NH2+]1 ZINC000892094760 663361384 /nfs/dbraw/zinc/36/13/84/663361384.db2.gz CDQNYGSMMZTLLE-KCPJHIHWSA-N 1 0 390.311 2.515 20 0 GFADRO COC[C@H](NC(=O)NCCC1=CC[NH2+]CC1)c1cccc(Br)c1 ZINC000892100227 663361577 /nfs/dbraw/zinc/36/15/77/663361577.db2.gz HFAAHLKUOYTXEP-INIZCTEOSA-N 1 0 382.302 2.746 20 0 GFADRO O=C(NCc1ncc(Br)s1)NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000892121283 663362535 /nfs/dbraw/zinc/36/25/35/663362535.db2.gz ZSDYEGFCQDOUJS-LBPRGKRZSA-N 1 0 381.299 2.592 20 0 GFADRO C[C@H](CCC[NH3+])NC(=O)N(C)C[C@@H](O)COc1cc(Cl)cc(Cl)c1 ZINC000892138842 663363075 /nfs/dbraw/zinc/36/30/75/663363075.db2.gz GMWJHJUGYWMTBC-BXUZGUMPSA-N 1 0 378.300 2.502 20 0 GFADRO C[C@]1(Br)C[C@H]1C[NH2+]C1CCN(CC(=O)Nc2ccccc2)CC1 ZINC000892544556 663376912 /nfs/dbraw/zinc/37/69/12/663376912.db2.gz MQGPBHFRYUODOR-KSSFIOAISA-N 1 0 380.330 2.853 20 0 GFADRO O=C(NCc1ccc(Br)cn1)N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1 ZINC000892615297 663378702 /nfs/dbraw/zinc/37/87/02/663378702.db2.gz BWQHLSDCOWHWCF-CJNGLKHVSA-N 1 0 381.318 2.908 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)NCc2ccc(Br)cn2)CC[C@@H]1C(F)(F)F ZINC000892617073 663379038 /nfs/dbraw/zinc/37/90/38/663379038.db2.gz SMWSTBMYRQHEPV-SKDRFNHKSA-N 1 0 395.223 2.513 20 0 GFADRO C[C@H]([NH2+]C[C@H]1C[C@]1(C)Br)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000892631124 663379269 /nfs/dbraw/zinc/37/92/69/663379269.db2.gz DHOFGMQIZLFJQR-LNSITVRQSA-N 1 0 375.332 2.761 20 0 GFADRO CCC1([NH3+])CCN(C(=O)N[C@H](CCO)c2ccccc2Br)CC1 ZINC000892926928 663390008 /nfs/dbraw/zinc/39/00/08/663390008.db2.gz ZYGVEUDIGMJXRD-OAHLLOKOSA-N 1 0 384.318 2.786 20 0 GFADRO C[C@H](CNC(=O)NCC1([NH+](C)C)CCOCC1)c1ccc(Br)cc1 ZINC000892973218 663391620 /nfs/dbraw/zinc/39/16/20/663391620.db2.gz OKVYMXYMKFVWPE-CQSZACIVSA-N 1 0 398.345 2.963 20 0 GFADRO C[C@H]1CCC[C@H](CC[NH+](C)C)N1C(=O)c1nn2c(c1Br)CCC2 ZINC000893006983 663392915 /nfs/dbraw/zinc/39/29/15/663392915.db2.gz HGDVPBACLWQYCM-QWHCGFSZSA-N 1 0 383.334 2.927 20 0 GFADRO Cc1ccc(S(=O)(=O)NCC[NH2+]Cc2cnc(CC(F)(F)F)s2)s1 ZINC000893195336 663401041 /nfs/dbraw/zinc/40/10/41/663401041.db2.gz XXPJHPPPOJTPAV-UHFFFAOYSA-N 1 0 399.485 2.686 20 0 GFADRO NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)/C=C\c2ccc(Cl)s2)CC1 ZINC000893424018 663410506 /nfs/dbraw/zinc/41/05/06/663410506.db2.gz AKHRLPUVGNKMDU-ALCCZGGFSA-N 1 0 381.929 2.747 20 0 GFADRO COCC[NH+](CCOC)C1CCN(c2cc(Br)cc(C)n2)CC1 ZINC000893837783 663427644 /nfs/dbraw/zinc/42/76/44/663427644.db2.gz YFSORDJPZDFGTD-UHFFFAOYSA-N 1 0 386.334 2.716 20 0 GFADRO C[C@@H](NC(=O)N[C@@](C)(CO)c1cccc(Br)c1)C1=CC[N@H+](C)CC1 ZINC000894104849 663442820 /nfs/dbraw/zinc/44/28/20/663442820.db2.gz JZRFHMUVXJUCIQ-ACJLOTCBSA-N 1 0 396.329 2.606 20 0 GFADRO CN(CCC[NH2+]Cc1sc(N2CCOCC2)nc1Cl)CC(F)(F)F ZINC000894179160 663447040 /nfs/dbraw/zinc/44/70/40/663447040.db2.gz OABZRDYQOCYHSV-UHFFFAOYSA-N 1 0 386.871 2.607 20 0 GFADRO CC1(O)CCC([NH2+]CC(=O)Nc2ccc(I)cc2)CC1 ZINC000894289920 663452941 /nfs/dbraw/zinc/45/29/41/663452941.db2.gz KEEBIRLKYCNGAS-UHFFFAOYSA-N 1 0 388.249 2.513 20 0 GFADRO Cc1cccc2oc(CC[NH2+]Cc3cn(C)nc3I)nc21 ZINC000894305399 663453319 /nfs/dbraw/zinc/45/33/19/663453319.db2.gz ZHRQTIFUASHAQL-UHFFFAOYSA-N 1 0 396.232 2.807 20 0 GFADRO Cc1cc([C@](C)(O)C[NH2+]Cc2sc(N3CCOCC3)nc2Cl)c(C)o1 ZINC000894303223 663453385 /nfs/dbraw/zinc/45/33/85/663453385.db2.gz GYFGONUNGCIKBN-QGZVFWFLSA-N 1 0 385.917 2.840 20 0 GFADRO Cc1cccc(C[N@@H+]2CCC[C@@H]2C[C@@]2(C)NC(=O)NC2=O)c1Br ZINC000894417520 663460276 /nfs/dbraw/zinc/46/02/76/663460276.db2.gz PEXWTXRLBNXPEP-CXAGYDPISA-N 1 0 380.286 2.710 20 0 GFADRO CCS(=O)(=O)NC1CC[NH+](CCc2cccc(OC(F)(F)F)c2)CC1 ZINC000894453630 663462641 /nfs/dbraw/zinc/46/26/41/663462641.db2.gz HVCUYCFKSAEIPL-UHFFFAOYSA-N 1 0 380.432 2.531 20 0 GFADRO C[C@H]1C[C@@H](C(=O)NCc2ccn(-c3ccc(Br)cc3)n2)CC[N@@H+]1C ZINC000894505884 663465594 /nfs/dbraw/zinc/46/55/94/663465594.db2.gz JOVPBBNOXSBTLO-KBPBESRZSA-N 1 0 391.313 2.981 20 0 GFADRO COC(=O)c1c[nH]c(C[NH2+]CCCn2cc(Br)cn2)c1C1CC1 ZINC000894518805 663466685 /nfs/dbraw/zinc/46/66/85/663466685.db2.gz OKYZIMMQJZBDPR-UHFFFAOYSA-N 1 0 381.274 2.818 20 0 GFADRO Cn1cc(CNc2ccccc2CC[NH+](C)C)c(I)n1 ZINC000894532685 663467272 /nfs/dbraw/zinc/46/72/72/663467272.db2.gz DNFSWWZJJZOOIB-UHFFFAOYSA-N 1 0 384.265 2.741 20 0 GFADRO Cc1ccc(C[C@H](CO)[NH2+]Cc2sc(N3CCOCC3)nc2Cl)cc1 ZINC000894531590 663467303 /nfs/dbraw/zinc/46/73/03/663467303.db2.gz AHOSAFBBXJPQRN-OAHLLOKOSA-N 1 0 381.929 2.635 20 0 GFADRO Cn1nc(Br)nc1C[NH2+][C@@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000894535973 663467555 /nfs/dbraw/zinc/46/75/55/663467555.db2.gz ZUMXPGFVACYTMI-GHMZBOCLSA-N 1 0 388.310 2.503 20 0 GFADRO CC(C)[C@@H](C[NH2+]Cc1sc(N2CCOCC2)nc1Cl)c1ccnn1C ZINC000894539337 663467906 /nfs/dbraw/zinc/46/79/06/663467906.db2.gz ZYLYZUYAZIYENK-CYBMUJFWSA-N 1 0 383.949 2.896 20 0 GFADRO Cn1nc(Br)nc1C[NH2+]C[C@@]1(Cc2ccc(F)cc2)CCC[C@H]1O ZINC000894565682 663468938 /nfs/dbraw/zinc/46/89/38/663468938.db2.gz GLFIIUFSUUOPAC-PBHICJAKSA-N 1 0 397.292 2.580 20 0 GFADRO C[C@@H]([NH2+]C1CCS(=O)CC1)c1ccc(Br)cc1OCCCO ZINC000894570883 663469503 /nfs/dbraw/zinc/46/95/03/663469503.db2.gz FZNWQEBTGSUBFH-RMCVLPRYSA-N 1 0 390.343 2.772 20 0 GFADRO CC(C)[C@@H]([NH2+]Cc1cn(C)nc1I)[C@@H](O)c1ccccc1 ZINC000894596833 663470631 /nfs/dbraw/zinc/47/06/31/663470631.db2.gz DNQCRGICJLAZMY-CABCVRRESA-N 1 0 399.276 2.873 20 0 GFADRO O=S(=O)(C1CC[NH+](Cc2cc3c(cccc3O)s2)CC1)N1CCCC1 ZINC000894673768 663475517 /nfs/dbraw/zinc/47/55/17/663475517.db2.gz ZPMCDZNPGUFEHV-UHFFFAOYSA-N 1 0 380.535 2.997 20 0 GFADRO C[N@@H+]1C[C@@H]2CCN(C(=O)N[C@H](c3cncc(Br)c3)C3CC3)[C@@H]2C1 ZINC000894691157 663476490 /nfs/dbraw/zinc/47/64/90/663476490.db2.gz XLJSIJNNKNQWIV-MAZHCROVSA-N 1 0 379.302 2.641 20 0 GFADRO CCn1cc(C[NH2+]C[C@@H](CO)Cc2cc(Br)ccc2OC)c(C)n1 ZINC000894764555 663480359 /nfs/dbraw/zinc/48/03/59/663480359.db2.gz FDPMIPULIVNVRK-AWEZNQCLSA-N 1 0 396.329 2.923 20 0 GFADRO NC(=O)[C@]1(c2ccccc2)CC[N@H+](Cc2cnc3ccc(Br)cn23)C1 ZINC000895000944 663494198 /nfs/dbraw/zinc/49/41/98/663494198.db2.gz MCXVPCPPNXKVOV-LJQANCHMSA-N 1 0 399.292 2.726 20 0 GFADRO OC[C@H]1C[N@@H+]2CCC[C@H]2CN1c1ccnc(-c2ccc(Br)cc2)n1 ZINC000895084494 663498751 /nfs/dbraw/zinc/49/87/51/663498751.db2.gz ZZECAJWQMMVVEB-JKSUJKDBSA-N 1 0 389.297 2.551 20 0 GFADRO C[C@H]([NH2+]Cc1cnc(Br)cn1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000895407630 663512184 /nfs/dbraw/zinc/51/21/84/663512184.db2.gz GIDXZCKPGVJMPF-YOEHRIQHSA-N 1 0 391.313 2.618 20 0 GFADRO CC(C)(C)OC(=O)N1CC[C@](C)(C[NH2+]Cc2cnc(Br)cn2)C1 ZINC000895408074 663512541 /nfs/dbraw/zinc/51/25/41/663512541.db2.gz NQSIFNJGJDQHDU-MRXNPFEDSA-N 1 0 385.306 2.976 20 0 GFADRO COC(=O)c1ccc(C[NH2+]C[C@@H](CO)Cc2ccoc2)cc1Br ZINC000895585714 663519862 /nfs/dbraw/zinc/51/98/62/663519862.db2.gz OARGIQMEHINEOJ-AWEZNQCLSA-N 1 0 382.254 2.770 20 0 GFADRO C[C@]1(Br)C[C@@H]1C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(F)(F)F ZINC000895661224 663522403 /nfs/dbraw/zinc/52/24/03/663522403.db2.gz CHQRQZQSFNGLCG-XFKURJONSA-N 1 0 395.263 2.891 20 0 GFADRO CC(C)(C)OC(=O)NCCC1CC([NH2+]C[C@H](O)C(F)(F)C(F)(F)F)C1 ZINC000895677225 663522735 /nfs/dbraw/zinc/52/27/35/663522735.db2.gz IRXNVGFBUGGSKG-ILDUYXDCSA-N 1 0 376.366 2.828 20 0 GFADRO CSc1ccc(-c2nsc(NC(=O)COC3CC[NH+](C)CC3)n2)cc1 ZINC000895799958 663528003 /nfs/dbraw/zinc/52/80/03/663528003.db2.gz WWHCXTHVBHQAFC-UHFFFAOYSA-N 1 0 378.523 2.976 20 0 GFADRO C[C@H](NC(=O)c1ccc(OC(F)(F)F)c(Cl)c1)[C@H]1C[N@H+](C)CCN1C ZINC000896533189 663561777 /nfs/dbraw/zinc/56/17/77/663561777.db2.gz YEOQQCUDYFPZSL-GXFFZTMASA-N 1 0 379.810 2.603 20 0 GFADRO C[C@@H](NC(=O)c1cc(F)c(Br)c(Cl)c1)[C@@H]1C[N@H+](C)CCN1C ZINC000896543778 663562530 /nfs/dbraw/zinc/56/25/30/663562530.db2.gz YZTQUKHYSPPWFR-RNCFNFMXSA-N 1 0 392.700 2.606 20 0 GFADRO Cc1cc(C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCN2C)cc(Cl)c1Br ZINC000896543384 663562683 /nfs/dbraw/zinc/56/26/83/663562683.db2.gz XFSJXAVDBWGFMN-BXUZGUMPSA-N 1 0 388.737 2.775 20 0 GFADRO Cc1cc2c(o1)c(C(=O)N[C@H](C)[C@H]1C[N@H+](C)CCN1C)ccc2Br ZINC000896545458 663562940 /nfs/dbraw/zinc/56/29/40/663562940.db2.gz MKPJSYMJRYTMCF-MLGOLLRUSA-N 1 0 394.313 2.868 20 0 GFADRO C[C@H](NC(=O)CCCc1ccccc1Br)[C@@H]1C[N@H+](C)CCN1C ZINC000896554221 663563727 /nfs/dbraw/zinc/56/37/27/663563727.db2.gz DDBAVNJMAUFCPD-YOEHRIQHSA-N 1 0 382.346 2.522 20 0 GFADRO COc1cc(Br)cc(CNC(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3C)c1 ZINC000896649313 663569529 /nfs/dbraw/zinc/56/95/29/663569529.db2.gz HFZUBNOMDZJBSW-HZPDHXFCSA-N 1 0 382.302 2.836 20 0 GFADRO OCC[N@@H+]1CCC[C@H]2[C@H]1CCN2c1ncc(Br)cc1C(F)(F)F ZINC000897220126 663595155 /nfs/dbraw/zinc/59/51/55/663595155.db2.gz SWNDPBSBILTSTL-OLZOCXBDSA-N 1 0 394.235 2.898 20 0 GFADRO O=C(C1C[NH+]([C@@H]2CCOC2)C1)N1CCC[C@H]1c1ccc(Br)s1 ZINC000897373105 663603206 /nfs/dbraw/zinc/60/32/06/663603206.db2.gz KUPCZXMXJQZBIA-OLZOCXBDSA-N 1 0 385.327 2.895 20 0 GFADRO CS[C@H]1CN(C(=O)c2csc(N3CCCCC3)n2)C[C@H]1[NH+]1CCCC1 ZINC000897376832 663603466 /nfs/dbraw/zinc/60/34/66/663603466.db2.gz GVOZHTLWMMZIRR-CVEARBPZSA-N 1 0 380.583 2.785 20 0 GFADRO O=C(NCc1cc2cc(Br)ccc2[nH]1)C1C[NH+](C2CCOCC2)C1 ZINC000897412650 663604829 /nfs/dbraw/zinc/60/48/29/663604829.db2.gz BDRCFYOZYULICL-UHFFFAOYSA-N 1 0 392.297 2.657 20 0 GFADRO CC[NH+]1CCC(CNC(=O)C(=O)NCCc2ccc(Cl)c(Cl)c2)CC1 ZINC000897529150 663608709 /nfs/dbraw/zinc/60/87/09/663608709.db2.gz GKVPUVGODIWJMM-UHFFFAOYSA-N 1 0 386.323 2.500 20 0 GFADRO Fc1ccc(I)c(F)c1C[NH2+][C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000897815080 663621406 /nfs/dbraw/zinc/62/14/06/663621406.db2.gz QSMDFIUKSCGXCZ-FJYLHVJRSA-N 1 0 377.172 2.835 20 0 GFADRO C[C@H](NC(=O)C1C[NH+](C2CCOCC2)C1)c1ccc(F)c(Br)c1 ZINC000897851504 663622486 /nfs/dbraw/zinc/62/24/86/663622486.db2.gz ATALCGVUJKCXDY-NSHDSACASA-N 1 0 385.277 2.876 20 0 GFADRO CO[C@@H]1CCOC[C@H]1[NH2+][C@H]1CCN(C)[C@H](c2ccc(Br)cc2)C1 ZINC000897888493 663624152 /nfs/dbraw/zinc/62/41/52/663624152.db2.gz CJXHRHKYBMEJKC-XWTMOSNGSA-N 1 0 383.330 2.978 20 0 GFADRO COc1ccc([C@@H]([NH2+]C(C)C)C(=O)NCc2nn(C)cc2Br)cc1 ZINC000897898627 663624784 /nfs/dbraw/zinc/62/47/84/663624784.db2.gz OLHUXQUDRQOQAJ-MRXNPFEDSA-N 1 0 395.301 2.547 20 0 GFADRO O=C(C1C[NH+](C2CCOCC2)C1)N1CC[C@@H](c2cccc(Br)c2)C1 ZINC000897901641 663625012 /nfs/dbraw/zinc/62/50/12/663625012.db2.gz RYWXEGMYOXXIBL-OAHLLOKOSA-N 1 0 393.325 2.876 20 0 GFADRO COc1ccc(C[NH2+][C@H]2Cc3cc(Br)cnc3NC2=O)cc1F ZINC000897979337 663629009 /nfs/dbraw/zinc/62/90/09/663629009.db2.gz YYNIOJRJWWLCPM-ZDUSSCGKSA-N 1 0 380.217 2.645 20 0 GFADRO COc1ccc(C[NH2+]C[C@]2(c3cnn(C)c3)CCCO2)cc1Br ZINC000898060744 663631847 /nfs/dbraw/zinc/63/18/47/663631847.db2.gz GXHJTNLWHCPTSD-KRWDZBQOSA-N 1 0 380.286 2.987 20 0 GFADRO CN(CCCC[NH+]1CCCCC1)C(=O)C(=O)NCC[C@@]1(C)C[C@@]1(F)Cl ZINC000898102379 663633235 /nfs/dbraw/zinc/63/32/35/663633235.db2.gz QNEZYHGZRCPQAY-ROUUACIJSA-N 1 0 375.916 2.532 20 0 GFADRO O=C(CCc1cccc(Br)c1)N1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000898120561 663634522 /nfs/dbraw/zinc/63/45/22/663634522.db2.gz DIRFVPCTGUADFR-UHFFFAOYSA-N 1 0 395.341 2.735 20 0 GFADRO Cc1c(Br)cncc1C[NH2+]Cc1cccc(N(C)S(C)(=O)=O)c1 ZINC000898282770 663642105 /nfs/dbraw/zinc/64/21/05/663642105.db2.gz KZROJZCDNFCSLH-UHFFFAOYSA-N 1 0 398.326 2.838 20 0 GFADRO Cc1c(Br)cncc1C[NH2+][C@H]1CCN(c2cn[nH]c(=O)c2Cl)C1 ZINC000898372844 663645322 /nfs/dbraw/zinc/64/53/22/663645322.db2.gz YKMMOQIRBLCAKA-NSHDSACASA-N 1 0 398.692 2.670 20 0 GFADRO CC[C@@H](Cc1cccs1)[NH2+][C@H]1CCS(=O)(=O)C2(CC(C(=O)OC)C2)C1 ZINC000898486646 663652102 /nfs/dbraw/zinc/65/21/02/663652102.db2.gz FHDKFLRGJDGAJT-DIODGJHASA-N 1 0 385.551 2.558 20 0 GFADRO COC(=O)C1CC2(C1)C[C@@H]([NH2+]Cc1ccc(C)c(Cl)c1)CCS2(=O)=O ZINC000898489974 663652315 /nfs/dbraw/zinc/65/23/15/663652315.db2.gz ZZYFDONATNRKMJ-CSLYMUCUSA-N 1 0 385.913 2.637 20 0 GFADRO COc1ccc(C(=O)NC2CC[NH+](C3CCOCC3)CC2)cc1Br ZINC000898626814 663658392 /nfs/dbraw/zinc/65/83/92/663658392.db2.gz PDLFYKKNNPLRAC-UHFFFAOYSA-N 1 0 397.313 2.831 20 0 GFADRO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCc2ncc(Br)n2C1 ZINC000898723938 663661127 /nfs/dbraw/zinc/66/11/27/663661127.db2.gz KLJSHMPQSCMDKA-RWMBFGLXSA-N 1 0 399.333 2.996 20 0 GFADRO O=C(NC(CCC(F)(F)F)CCC(F)(F)F)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000898788892 663664303 /nfs/dbraw/zinc/66/43/03/663664303.db2.gz GSDFFGBUDPJSHU-GFCCVEGCSA-N 1 0 376.341 2.877 20 0 GFADRO C[NH+](C)[C@@H]1C[C@H](NC(=O)c2c(Br)nc3n2CCCC3)C12CCC2 ZINC000898830242 663665766 /nfs/dbraw/zinc/66/57/66/663665766.db2.gz OBRAFOOURMBSJS-NWDGAFQWSA-N 1 0 381.318 2.585 20 0 GFADRO C[NH+]1CCC2(CC1)CC(=O)NN(c1ccc(Cl)c(Br)c1)C2=O ZINC000899363120 663684319 /nfs/dbraw/zinc/68/43/19/663684319.db2.gz DVGCHFLBVIYZMT-UHFFFAOYSA-N 1 0 386.677 2.582 20 0 GFADRO CCC1([NH+]2CCC2)CCN(C(=O)CS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000899563372 663693879 /nfs/dbraw/zinc/69/38/79/663693879.db2.gz BDDZGFITHRGBJG-UHFFFAOYSA-N 1 0 384.929 2.591 20 0 GFADRO C[NH+](C)Cc1cccc(CNC(=O)[C@@H](O)c2cccc(Br)c2)c1 ZINC000900087463 663707946 /nfs/dbraw/zinc/70/79/46/663707946.db2.gz NCMLADUBKJBOPL-KRWDZBQOSA-N 1 0 377.282 2.861 20 0 GFADRO COc1cc(Br)c(NC(=O)C2C[NH+](C3CCOCC3)C2)cc1OC ZINC000900334465 663712618 /nfs/dbraw/zinc/71/26/18/663712618.db2.gz KSSKAMKXKSZIDD-UHFFFAOYSA-N 1 0 399.285 2.516 20 0 GFADRO Cc1cc(Br)ccc1Cn1cc(CNC2CC[NH+](C)CC2)nn1 ZINC000900568253 663717285 /nfs/dbraw/zinc/71/72/85/663717285.db2.gz CMODLDBGUYIBFT-UHFFFAOYSA-N 1 0 378.318 2.581 20 0 GFADRO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)[C@H](O)c2cccc(Br)c2)C1 ZINC000900914927 663723840 /nfs/dbraw/zinc/72/38/40/663723840.db2.gz LVLJVOPBIDNHJI-WMLDXEAASA-N 1 0 381.314 2.673 20 0 GFADRO C[N@@H+]1CCC[C@](O)(CC(=O)N2CCC[C@@H]2c2ccccc2Br)C1 ZINC000901006753 663728623 /nfs/dbraw/zinc/72/86/23/663728623.db2.gz BSMUGOONWDWYKH-AEFFLSMTSA-N 1 0 381.314 2.959 20 0 GFADRO Cc1ccc(F)c(Br)c1C(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000901227417 663732712 /nfs/dbraw/zinc/73/27/12/663732712.db2.gz HNAKQKQTICBCNL-UHFFFAOYSA-N 1 0 387.293 2.815 20 0 GFADRO C[N@@H+]1C[C@@H](O)C[C@]1(C)C(=O)NCCc1csc(-c2ccc(Cl)cc2)n1 ZINC000901232841 663732893 /nfs/dbraw/zinc/73/28/93/663732893.db2.gz IAVVVHRQJMKVTJ-MAUKXSAKSA-N 1 0 379.913 2.577 20 0 GFADRO C[N@@H+]1C[C@@H](O)C[C@@]1(C)C(=O)NCc1ccc(Br)cc1C(F)(F)F ZINC000901264781 663733163 /nfs/dbraw/zinc/73/31/63/663733163.db2.gz BKJCLGBYKBEIFV-FZMZJTMJSA-N 1 0 395.219 2.539 20 0 GFADRO C[C@@H]([NH2+][C@H]1CCc2ncc(Br)n2C1)C(=O)Nc1c(F)cccc1F ZINC000901728391 663743825 /nfs/dbraw/zinc/74/38/25/663743825.db2.gz MHRBJWIBUMPDSY-ZJUUUORDSA-N 1 0 399.239 2.855 20 0 GFADRO C[C@H]([NH2+][C@H]1CCc2ncc(Br)n2C1)C(=O)NCCC1=CCCCC1 ZINC000901730902 663744143 /nfs/dbraw/zinc/74/41/43/663744143.db2.gz YLHCPIQCVVLKME-ZFWWWQNUSA-N 1 0 395.345 2.945 20 0 GFADRO COc1c[nH]c(CO)c(C[NH2+]C2(c3ccc(Br)cc3)CCC2)c1=O ZINC000902076328 663754811 /nfs/dbraw/zinc/75/48/11/663754811.db2.gz KQBZWUMTJUBROD-UHFFFAOYSA-N 1 0 393.281 2.807 20 0 GFADRO O=C1[C@H]2C[C@H]2CN1C[N@@H+](Cc1cccc(Br)c1)C1CCOCC1 ZINC000902232650 663757322 /nfs/dbraw/zinc/75/73/22/663757322.db2.gz JAJGXIWECXWGGO-YOEHRIQHSA-N 1 0 379.298 2.866 20 0 GFADRO CCNc1ccccc1C[NH2+]CC1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000902230092 663757383 /nfs/dbraw/zinc/75/73/83/663757383.db2.gz DHVZGMGWUFQKFN-UHFFFAOYSA-N 1 0 379.448 2.770 20 0 GFADRO CC[NH+]1CCC(NC(=O)Cn2ccc(-c3ccc(Br)cc3)n2)CC1 ZINC000902296527 663758598 /nfs/dbraw/zinc/75/85/98/663758598.db2.gz LEPNYOBFHKEMSX-UHFFFAOYSA-N 1 0 391.313 2.913 20 0 GFADRO O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)c1nnc(-c2cscn2)o1 ZINC000902611500 663764408 /nfs/dbraw/zinc/76/44/08/663764408.db2.gz BYFQFIPSRDVGKV-LBPRGKRZSA-N 1 0 375.479 2.822 20 0 GFADRO Cc1cc(NS(=O)(=O)C[C@]2(C)CC2(Cl)Cl)n(C2CC[NH+](C)CC2)n1 ZINC000903095402 663773343 /nfs/dbraw/zinc/77/33/43/663773343.db2.gz WFHLAMITECJLJM-AWEZNQCLSA-N 1 0 395.356 2.784 20 0 GFADRO C[C@@H]([NH2+]C[C@@H]1CCCCS1(=O)=O)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000903147465 663776079 /nfs/dbraw/zinc/77/60/79/663776079.db2.gz ILEUNHZYDUDEJH-RISCZKNCSA-N 1 0 399.456 2.598 20 0 GFADRO CN(C)S(=O)(=O)Cc1ccc(C[NH2+][C@@H]2CC[C@@H]3SCCS[C@@H]23)cc1 ZINC000903172951 663777071 /nfs/dbraw/zinc/77/70/71/663777071.db2.gz HBVGFVZEFWJCDC-IKGGRYGDSA-N 1 0 386.608 2.547 20 0 GFADRO C[C@H]([NH2+]C[C@@H]1CC[C@@H](C(F)(F)F)O1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000903180993 663777348 /nfs/dbraw/zinc/77/73/48/663777348.db2.gz LQBRDTSKMMIZQW-WHOFXGATSA-N 1 0 380.432 2.697 20 0 GFADRO CC(C)(C)NS(=O)(=O)C1(C[NH2+][C@@H]2CC[C@@H]3SCCS[C@@H]23)CCC1 ZINC000903189461 663777761 /nfs/dbraw/zinc/77/77/61/663777761.db2.gz XEOPWUFZSMWANJ-RDBSUJKOSA-N 1 0 378.629 2.596 20 0 GFADRO Brc1cccc(CN2CCC([NH2+][C@H]3CCO[C@@]34CCOC4)CC2)c1 ZINC000903189983 663777765 /nfs/dbraw/zinc/77/77/65/663777765.db2.gz MHEDGOIDZMDBPK-RBUKOAKNSA-N 1 0 395.341 2.951 20 0 GFADRO C[C@H]([NH2+][C@@H](C)[C@H](O)C(F)(F)F)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000903214391 663778835 /nfs/dbraw/zinc/77/88/35/663778835.db2.gz ZSRZQVLNLVDLCS-LAEOZQHASA-N 1 0 379.322 2.942 20 0 GFADRO CS(C)(=O)=NS(=O)(=O)CC[NH2+][C@@H](c1ccc(F)cc1)C1CCCC1 ZINC000903227863 663779280 /nfs/dbraw/zinc/77/92/80/663779280.db2.gz VYNCKDIABFQGFH-MRXNPFEDSA-N 1 0 376.519 2.704 20 0 GFADRO C[C@H]([NH2+]C[C@H]1CCCC[C@@H]1NS(C)(=O)=O)c1ncc(Br)s1 ZINC000903233559 663779974 /nfs/dbraw/zinc/77/99/74/663779974.db2.gz IMECHMUPHDRLPW-AXFHLTTASA-N 1 0 396.376 2.664 20 0 GFADRO C[C@H]([NH2+]C1CC(CC(N)=O)C1)c1ccc(F)c(I)c1 ZINC000903253872 663780544 /nfs/dbraw/zinc/78/05/44/663780544.db2.gz NXIWYHZFPBBQFS-SILCLGDVSA-N 1 0 376.213 2.735 20 0 GFADRO NC(=O)CC1CC([NH2+]C2CCN(Cc3ccccc3Br)CC2)C1 ZINC000903261303 663780803 /nfs/dbraw/zinc/78/08/03/663780803.db2.gz WCMYCKCHMDDRRF-UHFFFAOYSA-N 1 0 380.330 2.657 20 0 GFADRO C[C@@H]([NH2+][C@@H](C)c1cncs1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000903311549 663781258 /nfs/dbraw/zinc/78/12/58/663781258.db2.gz PWNPLZBNZJUVIH-KGLIPLIRSA-N 1 0 381.523 2.576 20 0 GFADRO C[C@@H]([NH2+][C@@H]1Cc2cc(Br)cnc2NC1=O)c1ccc2c(c1)OCO2 ZINC000903326449 663782161 /nfs/dbraw/zinc/78/21/61/663782161.db2.gz QCZSWTGCSALRDJ-NOZJJQNGSA-N 1 0 390.237 2.787 20 0 GFADRO CC[C@H]([NH2+]C[C@@]1(OC)CCS(=O)(=O)C1)c1ccc(Br)cc1 ZINC000903368743 663783262 /nfs/dbraw/zinc/78/32/62/663783262.db2.gz QOVOBYIPAXLEQI-GJZGRUSLSA-N 1 0 376.316 2.694 20 0 GFADRO C[C@@H]([NH2+][C@H]1CCN(c2cn[nH]c(=O)c2Cl)C1)c1cccc(Br)n1 ZINC000903434074 663784712 /nfs/dbraw/zinc/78/47/12/663784712.db2.gz IPJDUPHSVWJRLE-ZJUUUORDSA-N 1 0 398.692 2.923 20 0 GFADRO C[C@H]1CN(S(=O)(=O)c2c[nH]c3cc(Br)ccc32)CC[C@@H]1C[NH3+] ZINC000903519944 663786989 /nfs/dbraw/zinc/78/69/89/663786989.db2.gz CBAQZAGDSCOSJN-WDEREUQCSA-N 1 0 386.315 2.536 20 0 GFADRO [NH3+]C[C@H]1CC[C@H](NS(=O)(=O)Cc2cccc(Cl)c2Br)C1 ZINC000903522629 663787093 /nfs/dbraw/zinc/78/70/93/663787093.db2.gz UUOGOINJTBYMTA-ONGXEEELSA-N 1 0 381.723 2.649 20 0 GFADRO C[C@H]1C[C@@H]([NH3+])CCN1S(=O)(=O)Cc1cccc(Cl)c1Br ZINC000903522097 663787097 /nfs/dbraw/zinc/78/70/97/663787097.db2.gz KRTPFPUNSFYRCJ-ONGXEEELSA-N 1 0 381.723 2.744 20 0 GFADRO CC[C@@H]1c2ccsc2CCN1C(=O)CN1CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000903534359 663787631 /nfs/dbraw/zinc/78/76/31/663787631.db2.gz LGPGFUMZGJRNDZ-HZSPNIEDSA-N 1 0 375.460 2.795 20 0 GFADRO Cc1cc(Cl)c(C)c(S(=O)(=O)N(C)C2(C[NH3+])CCOCC2)c1Cl ZINC000903543877 663788063 /nfs/dbraw/zinc/78/80/63/663788063.db2.gz PHEGNXPXXOYFKH-UHFFFAOYSA-N 1 0 381.325 2.739 20 0 GFADRO C[C@@H]1C[NH2+]C[C@H]1CCNS(=O)(=O)c1ccc(C(F)(F)C(F)(F)F)cc1 ZINC000903548815 663788386 /nfs/dbraw/zinc/78/83/86/663788386.db2.gz FOTCMXOBOQZPSD-GHMZBOCLSA-N 1 0 386.386 2.865 20 0 GFADRO [NH3+][C@@H]1CN(S(=O)(=O)/C=C/c2ccc(Br)cc2)C[C@H]1C(F)(F)F ZINC000903570531 663789075 /nfs/dbraw/zinc/78/90/75/663789075.db2.gz ODRCBCLTRXHNDD-IEVRTODYSA-N 1 0 399.232 2.571 20 0 GFADRO Cc1nc2ccc(S(=O)(=O)N3CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C3)cc2s1 ZINC000903579296 663790051 /nfs/dbraw/zinc/79/00/51/663790051.db2.gz NEEGTDUPRNARDD-MNOVXSKESA-N 1 0 379.429 2.505 20 0 GFADRO [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(S(=O)(=O)Cc1ccc(Cl)cc1Br)C2 ZINC000903580323 663790198 /nfs/dbraw/zinc/79/01/98/663790198.db2.gz WHEXRXYICFGHHC-XDTLVQLUSA-N 1 0 393.734 2.744 20 0 GFADRO Brc1ccc([C@@H]2CN(C[C@@H]3C[C@@]4(CC[NH2+]C4)CO3)CCO2)cc1 ZINC000903727139 663805318 /nfs/dbraw/zinc/80/53/18/663805318.db2.gz QWCDBTHBPNVFON-OKZBNKHCSA-N 1 0 381.314 2.591 20 0 GFADRO Brc1cccc(Cc2noc(CN3CCC[C@]34CC[NH2+]C4)n2)c1 ZINC000903866900 663809211 /nfs/dbraw/zinc/80/92/11/663809211.db2.gz LNWKYFQUNUAKPP-QGZVFWFLSA-N 1 0 377.286 2.751 20 0 GFADRO Ic1ccccc1CN[C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903973231 663814170 /nfs/dbraw/zinc/81/41/70/663814170.db2.gz BYZBHWIYQWSRQF-AWEZNQCLSA-N 1 0 386.277 2.540 20 0 GFADRO COc1cc(Br)c(Cc2noc(C[C@@H]3CC[N@H+](C)C3)n2)cc1OC ZINC000903971262 663814319 /nfs/dbraw/zinc/81/43/19/663814319.db2.gz NPSLVZQFZGAEQZ-NSHDSACASA-N 1 0 396.285 2.934 20 0 GFADRO [NH3+][C@H]1CN(Cc2nc3ccccn3c2Br)CC[C@H]1C(F)(F)F ZINC000903984119 663815245 /nfs/dbraw/zinc/81/52/45/663815245.db2.gz PHMJDFUQPDVZIE-ZJUUUORDSA-N 1 0 377.208 2.808 20 0 GFADRO CC1(C)C[NH2+]C[C@@H]1c1nc(Cc2cc(Br)c3c(c2)OCCO3)no1 ZINC000904103453 663824539 /nfs/dbraw/zinc/82/45/39/663824539.db2.gz XETIAZWGQYZZLL-LLVKDONJSA-N 1 0 394.269 2.907 20 0 GFADRO O=C(Nc1cnc(Br)c(Br)c1)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000904372863 663831829 /nfs/dbraw/zinc/83/18/29/663831829.db2.gz IMROSUCSKBYWIX-WQGWLQIFSA-N 1 0 390.079 2.621 20 0 GFADRO O=C(Nc1cnn(-c2ccccc2Br)c1)N1CCC[C@]12CC[NH2+]C2 ZINC000904393249 663832572 /nfs/dbraw/zinc/83/25/72/663832572.db2.gz ONLZXTSOVJZMGS-QGZVFWFLSA-N 1 0 390.285 2.995 20 0 GFADRO COC(=O)c1cc(NC(=O)N2CCC[C@]23CC[NH2+]C3)c(C)cc1Br ZINC000904485303 663836086 /nfs/dbraw/zinc/83/60/86/663836086.db2.gz SFNYCLBNVNGCJN-QGZVFWFLSA-N 1 0 396.285 2.904 20 0 GFADRO [NH3+]C[C@H](NC(=O)N1CCC(C(=O)c2ccccc2Cl)CC1)C(F)(F)F ZINC000904519759 663836664 /nfs/dbraw/zinc/83/66/64/663836664.db2.gz WIFZCMSEDNTQGV-ZDUSSCGKSA-N 1 0 377.794 2.834 20 0 GFADRO [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)Nc1ccc(I)cc1F)C2 ZINC000904522393 663836665 /nfs/dbraw/zinc/83/66/65/663836665.db2.gz UZMMGFJQJWUMDG-GDPRMGEGSA-N 1 0 389.212 2.774 20 0 GFADRO Brc1cncc(-c2noc([C@@H]3CC[NH2+][C@H]([C@H]4CCCO4)C3)n2)c1 ZINC000904536569 663836961 /nfs/dbraw/zinc/83/69/61/663836961.db2.gz FKAFAWCUBRSCMF-DDTOSNHZSA-N 1 0 379.258 2.909 20 0 GFADRO [NH3+]Cc1ccccc1NC(=O)NC[C@@H](CO)Cc1cccc(Br)c1 ZINC000904641729 663839311 /nfs/dbraw/zinc/83/93/11/663839311.db2.gz YRRWGRPGLIYVMA-AWEZNQCLSA-N 1 0 392.297 2.881 20 0 GFADRO C[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)c2cc(Br)ccc2O1 ZINC000904909829 663847271 /nfs/dbraw/zinc/84/72/71/663847271.db2.gz VNSFPSJAJAYTJT-GFCCVEGCSA-N 1 0 383.286 2.674 20 0 GFADRO O[C@@H](CCC1(O)CCC1)C[NH2+]C[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000905067856 663851283 /nfs/dbraw/zinc/85/12/83/663851283.db2.gz IQZVUYJKUFUQPH-QAPCUYQASA-N 1 0 397.357 2.921 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CC[NH2+]C[C@H](O)CC1(O)CCCC1 ZINC000905082665 663851833 /nfs/dbraw/zinc/85/18/33/663851833.db2.gz SNZMRZCZFQWTPU-OAHLLOKOSA-N 1 0 399.329 2.732 20 0 GFADRO COc1cc(C[NH2+]C[C@H](O)CCC2(O)CCC2)cc(Br)c1OC ZINC000905084436 663851871 /nfs/dbraw/zinc/85/18/71/663851871.db2.gz ZSNYBZBQMRIEOC-CYBMUJFWSA-N 1 0 388.302 2.612 20 0 GFADRO CC[C@H](C[NH2+]C[C@@H](O)C1(O)CCOCC1)Cc1cccc(Br)c1 ZINC000905128597 663854188 /nfs/dbraw/zinc/85/41/88/663854188.db2.gz SLBCTYZUSLBDLS-WMLDXEAASA-N 1 0 386.330 2.510 20 0 GFADRO O[C@@H](C[NH2+]CCOc1c(Cl)cc(Cl)cc1Cl)C[C@]1(O)CCOC1 ZINC000905151417 663855506 /nfs/dbraw/zinc/85/55/06/663855506.db2.gz ASKSOBKCNRWNQP-IAQYHMDHSA-N 1 0 384.687 2.518 20 0 GFADRO O[C@@H](C[NH2+]Cc1cc(Cl)cc(Cl)c1OC(F)F)C1(O)CCOCC1 ZINC000905162790 663855659 /nfs/dbraw/zinc/85/56/59/663855659.db2.gz XTQQIXSYKDIISZ-LBPRGKRZSA-N 1 0 386.222 2.587 20 0 GFADRO Cc1cc(Br)cn2cc(C[NH2+]C[C@@H](O)CC3(O)CCCC3)nc12 ZINC000905213518 663859145 /nfs/dbraw/zinc/85/91/45/663859145.db2.gz PLPXCWXDUZKISC-HNNXBMFYSA-N 1 0 382.302 2.551 20 0 GFADRO O[C@H](CCC1(O)CCC1)C[NH2+][C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000905237288 663861650 /nfs/dbraw/zinc/86/16/50/663861650.db2.gz HYBUQJWRGQNMMO-NVXWUHKLSA-N 1 0 383.330 2.674 20 0 GFADRO CC[C@](O)(C[NH2+]Cc1cc(C(F)(F)F)cc(S(C)(=O)=O)c1)C(F)(F)F ZINC000905255561 663862821 /nfs/dbraw/zinc/86/28/21/663862821.db2.gz UTKDPYIUDJJOFC-LBPRGKRZSA-N 1 0 393.349 2.902 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1cc(Br)cn(C2CC2)c1=O ZINC000905315262 663865684 /nfs/dbraw/zinc/86/56/84/663865684.db2.gz IXDFLCHJQYNKPE-CYBMUJFWSA-N 1 0 396.329 2.940 20 0 GFADRO C[C@@H](c1ccccc1Br)N(C)S(=O)(=O)CC1CC[NH2+]CC1 ZINC000905335835 663866182 /nfs/dbraw/zinc/86/61/82/663866182.db2.gz SHLOMYZTNHGTIK-LBPRGKRZSA-N 1 0 375.332 2.771 20 0 GFADRO O[C@H](CC[C@H](O)c1ccccc1)C[NH2+]C[C@@H](O)c1cccc(Br)c1 ZINC000905370489 663867896 /nfs/dbraw/zinc/86/78/96/663867896.db2.gz FAZLGUQWMRDRKX-CEXWTWQISA-N 1 0 394.309 2.947 20 0 GFADRO O[C@H](C[NH2+][C@H]1CCCCc2cc(Br)ccc21)C[C@]1(O)CCOC1 ZINC000905385139 663868872 /nfs/dbraw/zinc/86/88/72/663868872.db2.gz XFMAJBQEQFIPFO-RYQLBKOJSA-N 1 0 384.314 2.709 20 0 GFADRO COc1cccc([C@@H](CNC(=O)C[C@@H](O)C(Cl)(Cl)Cl)[NH+](C)C)c1 ZINC000905392698 663869325 /nfs/dbraw/zinc/86/93/25/663869325.db2.gz NVIIRJWRWLGKSL-CHWSQXEVSA-N 1 0 383.703 2.535 20 0 GFADRO OCC1(C[C@H](O)C[NH2+][C@@H]2[C@@H]3Cc4ccc(Br)cc4[C@@H]32)CCCC1 ZINC000905409225 663870217 /nfs/dbraw/zinc/87/02/17/663870217.db2.gz NSMILIJTWJTAMF-XOYOTBSWSA-N 1 0 380.326 2.981 20 0 GFADRO COC[C@H](C)OC[C@H](O)C[NH2+]CCc1cc(Cl)cc(Br)c1 ZINC000905418853 663870550 /nfs/dbraw/zinc/87/05/50/663870550.db2.gz LXHOSVZHTDWDBY-XHDPSFHLSA-N 1 0 380.710 2.647 20 0 GFADRO O=C(CC[NH2+]C[C@@H](CO)Cc1ccoc1)Nc1ccc(Br)cc1 ZINC000905417014 663870565 /nfs/dbraw/zinc/87/05/65/663870565.db2.gz FEUUPUCCCAMVMA-AWEZNQCLSA-N 1 0 381.270 2.812 20 0 GFADRO Cn1cc(C[NH2+]C[C@@H](O)Cc2ccccc2C(F)(F)F)c(Br)n1 ZINC000905521157 663876016 /nfs/dbraw/zinc/87/60/16/663876016.db2.gz QLHNCAWWQLUPTF-LBPRGKRZSA-N 1 0 392.219 2.895 20 0 GFADRO O[C@H](CC[C@H](O)C[NH2+]CC1(n2cc(Br)cn2)CC1)c1ccccc1 ZINC000905587332 663880129 /nfs/dbraw/zinc/88/01/29/663880129.db2.gz OKODHLGOMNPNCY-DLBZAZTESA-N 1 0 394.313 2.599 20 0 GFADRO Cn1nc(C2CC2)cc1C[NH2+]C[C@H](O)COc1ccc(Br)cc1 ZINC000905618821 663881631 /nfs/dbraw/zinc/88/16/31/663881631.db2.gz JLAVGKWXPBKLBW-HNNXBMFYSA-N 1 0 380.286 2.590 20 0 GFADRO COc1c(Br)cc(Cl)cc1NC(=O)C1CN(C)CC[N@H+](C)C1 ZINC000905692815 663886563 /nfs/dbraw/zinc/88/65/63/663886563.db2.gz IFWKQHJQAILWJL-UHFFFAOYSA-N 1 0 390.709 2.543 20 0 GFADRO NC(=O)[C@H]([NH2+]C[C@@H]1CCC2(CCOCC2)CO1)c1ccc(Br)cc1 ZINC000905782126 663892357 /nfs/dbraw/zinc/89/23/57/663892357.db2.gz XZWIVWBSZZPPDY-JKSUJKDBSA-N 1 0 397.313 2.541 20 0 GFADRO C[C@@H]1OC[C@]2(CC[C@H](C[NH2+][C@@H](C(N)=O)c3ccc(Br)cc3)O2)[C@H]1C ZINC000905841722 663895993 /nfs/dbraw/zinc/89/59/93/663895993.db2.gz FOKVSEUOMTUJBG-REBNJCNJSA-N 1 0 397.313 2.538 20 0 GFADRO C[NH+](C)CCCOc1cccc(NS(=O)(=O)N=[S@](C)(=O)C(C)(C)C)c1 ZINC000906058506 663915924 /nfs/dbraw/zinc/91/59/24/663915924.db2.gz WLBJWPNOUXLMNH-XMMPIXPASA-N 1 0 391.559 2.570 20 0 GFADRO Cc1cc(C[NH+](C)C)ccc1NS(=O)(=O)N=[S@@](C)(=O)c1ccccc1 ZINC000906067720 663920114 /nfs/dbraw/zinc/92/01/14/663920114.db2.gz OLJCMEWUZRVVCW-DEOSSOPVSA-N 1 0 381.523 2.870 20 0 GFADRO CCC[N@@H+]1CCC[C@H](C(=O)N2CCC(n3cc(Br)cn3)CC2)C1 ZINC000906637397 663962018 /nfs/dbraw/zinc/96/20/18/663962018.db2.gz TWOBQXVHCVCUFM-AWEZNQCLSA-N 1 0 383.334 2.931 20 0 GFADRO CN(Cc1ccc(Br)o1)C(=O)C(=O)Nc1ccc(C(C)(C)[NH3+])cc1 ZINC000906646191 663962565 /nfs/dbraw/zinc/96/25/65/663962565.db2.gz NIQMQKUZCWILDY-UHFFFAOYSA-N 1 0 394.269 2.833 20 0 GFADRO CC(C)([NH3+])c1ccc(NC(=O)C(=O)NCc2csc(Br)c2)cc1 ZINC000906644542 663962576 /nfs/dbraw/zinc/96/25/76/663962576.db2.gz ARJQMXIXFBIVSY-UHFFFAOYSA-N 1 0 396.310 2.959 20 0 GFADRO CO[C@H](C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1)c1ccc(Br)s1 ZINC000906710589 663966202 /nfs/dbraw/zinc/96/62/02/663966202.db2.gz OJZSNHJBTRPGTC-RISCZKNCSA-N 1 0 375.332 2.998 20 0 GFADRO [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(=O)Nc1ccc(Cl)cc1C(F)(F)F)C2 ZINC000906758036 663968863 /nfs/dbraw/zinc/96/88/63/663968863.db2.gz ZXGPABXGYWUVTH-GDPRMGEGSA-N 1 0 375.778 2.636 20 0 GFADRO CN(CC[NH+](C)C)C(=O)c1cnnn1-c1cc(C(F)(F)F)ccc1Cl ZINC000906883354 663978906 /nfs/dbraw/zinc/97/89/06/663978906.db2.gz UPUTVMZUKZBCHJ-UHFFFAOYSA-N 1 0 375.782 2.573 20 0 GFADRO O=S(=O)(NC1CC[NH+](C2CCCC2)CC1)c1c[nH]c2ncc(Cl)cc12 ZINC000907025077 663994017 /nfs/dbraw/zinc/99/40/17/663994017.db2.gz JHTWCSVXTAFXQV-UHFFFAOYSA-N 1 0 382.917 2.902 20 0 GFADRO Cc1cc(Cl)cc(C)c1S(=O)(=O)NC1CC[NH+](C2CCOCC2)CC1 ZINC000907329483 664023935 /nfs/dbraw/zinc/02/39/35/664023935.db2.gz ODDIRGIXVKOBNB-UHFFFAOYSA-N 1 0 386.945 2.879 20 0 GFADRO Cc1ccc(C[N@H+]2CC[C@H](CN(C)S(=O)(=O)N3CCCC[C@@H]3C)C2)s1 ZINC000907346897 664026275 /nfs/dbraw/zinc/02/62/75/664026275.db2.gz PIRXCMWKTRPSTI-DOTOQJQBSA-N 1 0 385.599 2.929 20 0 GFADRO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)S(=O)(=O)CCOCC3CC3)C2)s1 ZINC000907346842 664026345 /nfs/dbraw/zinc/02/63/45/664026345.db2.gz OKZVYYKTCZKYGG-KRWDZBQOSA-N 1 0 386.583 2.567 20 0 GFADRO Cc1ccc(C[N@H+]2CC[C@H](CN(C)S(=O)(=O)C3CCC(=O)CC3)C2)s1 ZINC000907348180 664027124 /nfs/dbraw/zinc/02/71/24/664027124.db2.gz ZHXUZBCJLJUJPC-OAHLLOKOSA-N 1 0 384.567 2.652 20 0 GFADRO CO[C@@H](CS(=O)(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccc(C)s2)C1)C1CC1 ZINC000907348188 664027457 /nfs/dbraw/zinc/02/74/57/664027457.db2.gz ZREPIOXFQCKSHW-YJBOKZPZSA-N 1 0 386.583 2.565 20 0 GFADRO Cc1ccc(I)cc1NC(=O)c1ccnn1CC[NH+](C)C ZINC000907459413 664036518 /nfs/dbraw/zinc/03/65/18/664036518.db2.gz PALIASJQMVKLKR-UHFFFAOYSA-N 1 0 398.248 2.610 20 0 GFADRO CN(C)Cc1ccc(NC(=O)c2ccnn2CC[NH+](C)C)cc1Br ZINC000907636216 664049363 /nfs/dbraw/zinc/04/93/63/664049363.db2.gz RMZIKYCTIIQJEC-UHFFFAOYSA-N 1 0 394.317 2.521 20 0 GFADRO O=C(CN1CSCCSC1)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000907876424 664068445 /nfs/dbraw/zinc/06/84/45/664068445.db2.gz WZAHUFOYAMLEMH-UHFFFAOYSA-N 1 0 397.532 2.605 20 0 GFADRO C[NH+]1CCC(N(Cc2ccccc2Br)C(=O)CC2COC2)CC1 ZINC000908261290 664095738 /nfs/dbraw/zinc/09/57/38/664095738.db2.gz IQCCKRUQXGINTA-UHFFFAOYSA-N 1 0 381.314 2.908 20 0 GFADRO C[NH+]1CCC2(CCC(NC(=O)CCn3cc(Br)cn3)CC2)CC1 ZINC000908502929 664111181 /nfs/dbraw/zinc/11/11/81/664111181.db2.gz UBLLTAAGEFZEFT-UHFFFAOYSA-N 1 0 383.334 2.807 20 0 GFADRO C[N@@H+]1CCC[C@](O)(CC(=O)N2CC[C@H](c3cccc(Br)c3)C2)C1 ZINC000908976391 664139329 /nfs/dbraw/zinc/13/93/29/664139329.db2.gz XQCRQWQKLXQTML-YJBOKZPZSA-N 1 0 381.314 2.612 20 0 GFADRO Cc1ncc(Br)cc1NC(=O)CCCN1CC[NH+](C(C)C)CC1 ZINC000909015979 664141174 /nfs/dbraw/zinc/14/11/74/664141174.db2.gz GAZYBOXBSVJSQA-UHFFFAOYSA-N 1 0 383.334 2.897 20 0 GFADRO C[N@H+](CC(=O)Nc1cc(N2CCOCC2)ccc1Br)C1CCC1 ZINC000909117537 664145442 /nfs/dbraw/zinc/14/54/42/664145442.db2.gz PCEOSXURWAJTRL-UHFFFAOYSA-N 1 0 382.302 2.709 20 0 GFADRO O=C(CCC[NH+]1CCN(c2ccccc2)CC1)NCC1(Br)CC1 ZINC000910199264 664199456 /nfs/dbraw/zinc/19/94/56/664199456.db2.gz DPYYGXNZFUJYAK-UHFFFAOYSA-N 1 0 380.330 2.633 20 0 GFADRO CC(C)[NH+]1CCN(CCC(=O)N2CCc3c2cccc3Br)CC1 ZINC000911187460 664237979 /nfs/dbraw/zinc/23/79/79/664237979.db2.gz LGZKIJGRQAVJAY-UHFFFAOYSA-N 1 0 380.330 2.754 20 0 GFADRO COc1cc(CNC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)c(Br)cc1O ZINC000911605956 664250197 /nfs/dbraw/zinc/25/01/97/664250197.db2.gz JNMYBTFPHGOGSG-OCCSQVGLSA-N 1 0 383.286 2.796 20 0 GFADRO O=C(C[C@H]1C(=O)Nc2c1cccc2Br)N(C1CC1)C1CC[NH2+]CC1 ZINC000911676352 664252413 /nfs/dbraw/zinc/25/24/13/664252413.db2.gz HOESRZJGEHESDG-CQSZACIVSA-N 1 0 392.297 2.618 20 0 GFADRO C[C@H](NC(=O)[C@@H](C)c1ccc(I)cc1)[C@@H]1CCC[NH2+]C1 ZINC000911727643 664254521 /nfs/dbraw/zinc/25/45/21/664254521.db2.gz YLPRARCFEOUCGG-SGMGOOAPSA-N 1 0 386.277 2.899 20 0 GFADRO C[C@H]([NH3+])C1CCN(C(=O)c2cc3ccc(Br)cc3c(=O)o2)CC1 ZINC000911753365 664255402 /nfs/dbraw/zinc/25/54/02/664255402.db2.gz NVRRXNWPVTTYJH-JTQLQIEISA-N 1 0 379.254 2.755 20 0 GFADRO CC(C)[C@](C)(C[NH3+])NC(=O)c1cnn(Cc2ccccc2)c1Br ZINC000911829391 664257784 /nfs/dbraw/zinc/25/77/84/664257784.db2.gz AHMAKFJDGOJJRU-KRWDZBQOSA-N 1 0 379.302 2.797 20 0 GFADRO O[C@H]1CCC[C@@H]1[NH+]1CCN(c2ccc(-c3nnc(Br)o3)cc2)CC1 ZINC000911855060 664259048 /nfs/dbraw/zinc/25/90/48/664259048.db2.gz DWKGRLLKTMFUAU-GJZGRUSLSA-N 1 0 393.285 2.535 20 0 GFADRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C[C@H]1c2cccc(Br)c2NC1=O ZINC000911871883 664260245 /nfs/dbraw/zinc/26/02/45/664260245.db2.gz WNCDYPFLPSMRNP-JSGCOSHPSA-N 1 0 382.302 2.707 20 0 GFADRO CSc1cc(Br)ccc1C(=O)N(CCO)C1CC[NH+](C)CC1 ZINC000911948036 664263261 /nfs/dbraw/zinc/26/32/61/664263261.db2.gz XUDNOUYFLMGKKO-UHFFFAOYSA-N 1 0 387.343 2.700 20 0 GFADRO CCN(C(=O)c1ccc(Cn2cc(Br)cn2)s1)[C@@H]1CC[N@H+](C)C1 ZINC000912307030 664281702 /nfs/dbraw/zinc/28/17/02/664281702.db2.gz NLXNKYNHHGHDMX-CYBMUJFWSA-N 1 0 397.342 2.922 20 0 GFADRO O=C(NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1ccnc(Cl)c1Cl ZINC000912385601 664284626 /nfs/dbraw/zinc/28/46/26/664284626.db2.gz IXRFOIQYVDZOMP-CQSZACIVSA-N 1 0 380.275 2.885 20 0 GFADRO CCN(C(=O)c1cc(Br)cn(C2CC2)c1=O)[C@H]1CC[N@H+](CC)C1 ZINC000912397677 664285031 /nfs/dbraw/zinc/28/50/31/664285031.db2.gz DFJDPGXHCYDALG-AWEZNQCLSA-N 1 0 382.302 2.502 20 0 GFADRO Cc1cc(NC(=O)[C@H]2[C@@H]3CC[NH2+]C[C@@H]32)n(-c2cccc(Br)c2)n1 ZINC000912487323 664289954 /nfs/dbraw/zinc/28/99/54/664289954.db2.gz IMZNKDJLJUDEKJ-YCPHGPKFSA-N 1 0 375.270 2.737 20 0 GFADRO Cc1c(Br)cccc1CC(=O)N1CCC(CO)([NH2+]CC(C)C)CC1 ZINC000912588383 664294150 /nfs/dbraw/zinc/29/41/50/664294150.db2.gz KQMZQIITYOWIGK-UHFFFAOYSA-N 1 0 397.357 2.899 20 0 GFADRO C[C@@H]1CCC[C@@H](CC[NH+](C)C)N1C(=O)c1c(Br)nc2n1CCOC2 ZINC000912649181 664295860 /nfs/dbraw/zinc/29/58/60/664295860.db2.gz PUWYMCBYGKOFPX-OLZOCXBDSA-N 1 0 399.333 2.511 20 0 GFADRO O=C(NCC1CC[NH+](CC2CC2)CC1)[C@H](O)c1cccc(Br)c1 ZINC000912732148 664299768 /nfs/dbraw/zinc/29/97/68/664299768.db2.gz SIQZUHDYZFAZQP-QGZVFWFLSA-N 1 0 381.314 2.721 20 0 GFADRO O=C(Nc1n[nH]cc1I)c1ccc(C[NH+]2CCCC2)cc1 ZINC000912888517 664308561 /nfs/dbraw/zinc/30/85/61/664308561.db2.gz ZWSNSDQJDBZUKO-UHFFFAOYSA-N 1 0 396.232 2.862 20 0 GFADRO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)N1CC[C@H]([NH+]2CCC2)C1 ZINC000912915763 664309951 /nfs/dbraw/zinc/30/99/51/664309951.db2.gz QWSDFIDEAOHKNW-ZDUSSCGKSA-N 1 0 391.265 2.784 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C(=O)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000912911726 664309959 /nfs/dbraw/zinc/30/99/59/664309959.db2.gz NRMAUAFJAYFRBE-MRXNPFEDSA-N 1 0 389.297 2.863 20 0 GFADRO C[C@@H]1CN(C(C)(C)C[NH2+]C[C@@H](O)c2cccc(Br)c2)C[C@H](C)O1 ZINC000913116967 664325424 /nfs/dbraw/zinc/32/54/24/664325424.db2.gz ROLHGDWEZNVBHH-JKIFEVAISA-N 1 0 385.346 2.960 20 0 GFADRO C[N@@H+]1C[C@@]2(C)CN(C(=O)c3ccc(C(F)(F)Br)nc3)C[C@@]2(C)C1 ZINC000913274551 664330651 /nfs/dbraw/zinc/33/06/51/664330651.db2.gz NZUOEVCQBAZRPY-GASCZTMLSA-N 1 0 388.256 2.940 20 0 GFADRO C[C@@H](CC(=O)N1CCC(O)(C[NH+](C)C)CC1)c1ccc(Br)cc1 ZINC000913679216 664349240 /nfs/dbraw/zinc/34/92/40/664349240.db2.gz RCVOVUYOXNESRL-AWEZNQCLSA-N 1 0 383.330 2.858 20 0 GFADRO C[NH+](C)CC1(O)CCN(C(=O)CCOc2ccc(Cl)cc2Cl)CC1 ZINC000913680817 664349591 /nfs/dbraw/zinc/34/95/91/664349591.db2.gz DYBBICMSLWBPDB-UHFFFAOYSA-N 1 0 375.296 2.677 20 0 GFADRO O=S(=O)(Cc1ccc(F)cc1Br)NC1CC[NH+](C2CC2)CC1 ZINC000913879728 664363079 /nfs/dbraw/zinc/36/30/79/664363079.db2.gz DBZDLNSCSYFYPQ-UHFFFAOYSA-N 1 0 391.306 2.634 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)NC1(c2ncc(Br)cn2)CCC1 ZINC000914149236 664379928 /nfs/dbraw/zinc/37/99/28/664379928.db2.gz FTIJINWKCMPMJC-ZIAGYGMSSA-N 1 0 394.317 2.544 20 0 GFADRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)S(=O)(=O)Cc1cccc(F)c1Br ZINC000914179032 664383337 /nfs/dbraw/zinc/38/33/37/664383337.db2.gz YDJQRAKOTGTWNT-RISCZKNCSA-N 1 0 393.322 2.690 20 0 GFADRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2S(=O)(=O)c2cnc(-c3ccccc3)s2)C1 ZINC000914268199 664392693 /nfs/dbraw/zinc/39/26/93/664392693.db2.gz URNJFAFVMGLILQ-HOTGVXAUSA-N 1 0 377.535 2.915 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2S(=O)(=O)c1cscc1C(F)F ZINC000914275448 664393824 /nfs/dbraw/zinc/39/38/24/664393824.db2.gz QIJXIINUQUDZPE-RTXFEEFZSA-N 1 0 380.482 2.558 20 0 GFADRO C[NH+](C)CC1CCN(S(=O)(=O)Cc2ccc(F)cc2Br)CC1 ZINC000914311084 664397824 /nfs/dbraw/zinc/39/78/24/664397824.db2.gz NLUNIVBFGSETIE-UHFFFAOYSA-N 1 0 393.322 2.692 20 0 GFADRO CCC[N@@H+]1CC[C@@H](CNC(=O)N2CCC[C@@H]2c2ncc(Br)cn2)C1 ZINC000914337929 664400809 /nfs/dbraw/zinc/40/08/09/664400809.db2.gz RKULFCAJCOLUNV-DZGCQCFKSA-N 1 0 396.333 2.818 20 0 GFADRO O=C(NCc1ccccc1Br)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000915262254 664425529 /nfs/dbraw/zinc/42/55/29/664425529.db2.gz QYFBACKEUPHGRB-OAHLLOKOSA-N 1 0 382.302 2.502 20 0 GFADRO CC(C)C[C@H](CNC(=O)/C=C/c1ccc(I)o1)[NH+](C)C ZINC000915267918 664426120 /nfs/dbraw/zinc/42/61/20/664426120.db2.gz OUEGMMVCAJSGBA-WAFBPQNNSA-N 1 0 390.265 2.990 20 0 GFADRO CCN(C1CC[NH+](C)CC1)S(=O)(=O)Cc1ccc(F)cc1Br ZINC000916073130 664448774 /nfs/dbraw/zinc/44/87/74/664448774.db2.gz NUMXTLWCBFIZPW-UHFFFAOYSA-N 1 0 393.322 2.834 20 0 GFADRO O[C@@H](CN1CCC[N@H+](C[C@@H]2CCCO2)CC1)c1cccc(Br)c1 ZINC000917052709 664475467 /nfs/dbraw/zinc/47/54/67/664475467.db2.gz LEBFCXCGCAYNRV-ROUUACIJSA-N 1 0 383.330 2.669 20 0 GFADRO Cc1ccc(Cl)c(S(=O)(=O)N2CCC(CO)([NH2+]C(C)C)CC2)c1Cl ZINC000917528801 664485668 /nfs/dbraw/zinc/48/56/68/664485668.db2.gz VSXMFZYKCRZDAQ-UHFFFAOYSA-N 1 0 395.352 2.815 20 0 GFADRO CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2cccc(C3SCCS3)c2)C1 ZINC000918476311 664499402 /nfs/dbraw/zinc/49/94/02/664499402.db2.gz DHVVDYXQBDPRHD-HNNXBMFYSA-N 1 0 379.551 2.704 20 0 GFADRO C[C@@H]1CN(C(=O)C[N@@H+](Cc2cccc(Br)c2)CC2CC2)CCO1 ZINC000919673649 664516454 /nfs/dbraw/zinc/51/64/54/664516454.db2.gz DQNNSBCOPLFYLW-CQSZACIVSA-N 1 0 381.314 2.908 20 0 GFADRO COC(=O)N1CCC([NH2+]Cc2cc(Br)c(OC)c(OC)c2)CC1 ZINC000920183095 664523316 /nfs/dbraw/zinc/52/33/16/664523316.db2.gz BKABPKRIKJOTQD-UHFFFAOYSA-N 1 0 387.274 2.787 20 0 GFADRO CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NS(=O)(=O)c3cc(C)sc3C)C2)[C@H]1C(C)C ZINC000920294762 664524295 /nfs/dbraw/zinc/52/42/95/664524295.db2.gz CTFMHOKJOPMSGC-JOCBIADPSA-N 1 0 386.583 2.513 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CNC(=S)NC[C@H](O)c1ccccc1C(F)(F)F ZINC000920997345 664535210 /nfs/dbraw/zinc/53/52/10/664535210.db2.gz UWUGRJHMNLPTGH-WFASDCNBSA-N 1 0 375.460 2.687 20 0 GFADRO O=C(NC1CCN(c2cccs2)CC1)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000921409043 664547568 /nfs/dbraw/zinc/54/75/68/664547568.db2.gz OJTJRHACASEVAG-HOTGVXAUSA-N 1 0 380.583 2.596 20 0 GFADRO CCn1c(Br)c(Br)nc1CNCC[NH+]1CCCC1 ZINC000921489738 664550501 /nfs/dbraw/zinc/55/05/01/664550501.db2.gz PLSZIGLMFDNTRM-UHFFFAOYSA-N 1 0 380.128 2.613 20 0 GFADRO C[NH+](C)CC[C@@H](NS(=O)(=O)C[C@@H]1CCCCC1(F)F)c1cccnc1 ZINC000921480029 664550216 /nfs/dbraw/zinc/55/02/16/664550216.db2.gz XZUCUYGCDKSIIW-JKSUJKDBSA-N 1 0 375.485 2.819 20 0 GFADRO CC[C@@H](C)[C@H](O)C[NH2+]Cc1nc(Br)c(Br)n1CC ZINC000921731071 664565052 /nfs/dbraw/zinc/56/50/52/664565052.db2.gz AWECVUVRQIPFKV-RKDXNWHRSA-N 1 0 383.128 2.925 20 0 GFADRO CCn1c(Br)c(Br)nc1CN[C@H]1C[N@H+](CC)C[C@H]1C ZINC000921833318 664571419 /nfs/dbraw/zinc/57/14/19/664571419.db2.gz VUKKAEZDJPDXGN-ZJUUUORDSA-N 1 0 394.155 2.858 20 0 GFADRO CC(C)(COc1ncccc1Br)[NH2+]Cc1cnc2n1CCOC2 ZINC000921914516 664576139 /nfs/dbraw/zinc/57/61/39/664576139.db2.gz KBLLIOHHVMBLIQ-UHFFFAOYSA-N 1 0 381.274 2.518 20 0 GFADRO C[NH+](C)C1(CNC(=O)N2CCC[C@H]2c2ncc(Br)cn2)CCC1 ZINC000922118193 664586606 /nfs/dbraw/zinc/58/66/06/664586606.db2.gz PRDBTTHEWCKFJO-ZDUSSCGKSA-N 1 0 382.306 2.570 20 0 GFADRO CCn1c(C[NH2+]C[C@H](OC)C2CC2)nc(Br)c1Br ZINC000922146659 664587838 /nfs/dbraw/zinc/58/78/38/664587838.db2.gz AAHXRQOOSMCRHB-VIFPVBQESA-N 1 0 381.112 2.943 20 0 GFADRO CCn1c(Br)c(Br)nc1CN[C@H]1CC[N@H+](CC)C1 ZINC000922183714 664589335 /nfs/dbraw/zinc/58/93/35/664589335.db2.gz GYEHRMSJCHDYEN-VIFPVBQESA-N 1 0 380.128 2.612 20 0 GFADRO Cc1cc(Br)ccc1C(=O)N1CCC([NH2+]CC2OCCCO2)CC1 ZINC000922281038 664593004 /nfs/dbraw/zinc/59/30/04/664593004.db2.gz QDXUFOTWLOSSSU-UHFFFAOYSA-N 1 0 397.313 2.715 20 0 GFADRO CN1C(=O)N=NC1C[C@@H]1CCCC[C@@H]1[NH2+]Cc1ncc(Br)cc1F ZINC000922404312 664599766 /nfs/dbraw/zinc/59/97/66/664599766.db2.gz KGVSQHLFXJIMBO-GWCFXTLKSA-N 1 0 398.280 2.708 20 0 GFADRO Cc1cc(C[NH2+][C@H]2CCC(=O)N(C)[C@@H]2c2ccnn2C)ccc1Br ZINC000922403732 664599786 /nfs/dbraw/zinc/59/97/86/664599786.db2.gz BUFXNWATFGGXOJ-YJBOKZPZSA-N 1 0 391.313 2.943 20 0 GFADRO COc1sc(C[NH2+]C[C@@H]2CCO[C@@H]2c2nnc(C)[nH]2)cc1Br ZINC000922407482 664600281 /nfs/dbraw/zinc/60/02/81/664600281.db2.gz OUBNVLBULFVTQI-CABZTGNLSA-N 1 0 387.303 2.813 20 0 GFADRO CC(C)(C)c1ncc(C[NH2+]Cc2cn(CC(F)(F)F)c(=O)[nH]c2=O)s1 ZINC000922496643 664604245 /nfs/dbraw/zinc/60/42/45/664604245.db2.gz QTEWDYAWWAXZOL-UHFFFAOYSA-N 1 0 376.404 2.555 20 0 GFADRO CO[C@@]1(C[NH2+]C/C(C)=C/c2ccccc2C(F)(F)F)CCS(=O)(=O)C1 ZINC000922619640 664608727 /nfs/dbraw/zinc/60/87/27/664608727.db2.gz SGUONYFFYWTOHO-LRFDDAOPSA-N 1 0 377.428 2.902 20 0 GFADRO O=C1C[C@H](CC[NH2+]Cc2cc(Br)sc2Br)CN1 ZINC000922778786 664614352 /nfs/dbraw/zinc/61/43/52/664614352.db2.gz JOXBWMHPAIRYPG-ZETCQYMHSA-N 1 0 382.121 2.889 20 0 GFADRO Ic1ccccc1CNC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000922952070 664619800 /nfs/dbraw/zinc/61/98/00/664619800.db2.gz VDOSFWTYGPGJLF-OAHLLOKOSA-N 1 0 386.277 2.634 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+]C[C@]2(c3ccccc3)CCCO2)cc1Cl ZINC000922959861 664620067 /nfs/dbraw/zinc/62/00/67/664620067.db2.gz HNNTWRSCJIRMRG-SFHVURJKSA-N 1 0 380.897 2.783 20 0 GFADRO CCOc1c(Br)cc(C[NH2+][C@@H]2CCc3nnn(C)c3C2)cc1OC ZINC000922997340 664620631 /nfs/dbraw/zinc/62/06/31/664620631.db2.gz BISNMCTXACRUPA-GFCCVEGCSA-N 1 0 395.301 2.632 20 0 GFADRO O[C@@H]1C[C@H]([NH2+]Cc2nc(-c3cccc(Br)c3)c[nH]2)C12CCOCC2 ZINC000923018247 664621238 /nfs/dbraw/zinc/62/12/38/664621238.db2.gz DGTZIUWKSKQMIM-JKSUJKDBSA-N 1 0 392.297 2.859 20 0 GFADRO COc1cc(/C=C/C(=O)N2[C@@H]3CC[C@H]2C[N@H+](C)CC3)cc(Br)c1O ZINC000923307317 664627980 /nfs/dbraw/zinc/62/79/80/664627980.db2.gz SMXRMYSAXYRFGW-IVDJAJHCSA-N 1 0 395.297 2.872 20 0 GFADRO O[C@H](COc1c(Cl)cccc1Cl)CN1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000923347987 664628780 /nfs/dbraw/zinc/62/87/80/664628780.db2.gz AQSGFMPGHIBCET-WMLDXEAASA-N 1 0 382.291 2.775 20 0 GFADRO C[C@H](NC(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1)c1cn(C)nn1 ZINC000923448984 664630704 /nfs/dbraw/zinc/63/07/04/664630704.db2.gz JEBNGNGRJBTVQC-ZUZCIYMTSA-N 1 0 385.299 2.785 20 0 GFADRO C[C@@H]1CN(Cc2csc(-c3ccc(S(C)(=O)=O)cc3)n2)CC[C@@H]1C[NH3+] ZINC000923501650 664631452 /nfs/dbraw/zinc/63/14/52/664631452.db2.gz RTSYAXUYXZVWML-UKRRQHHQSA-N 1 0 379.551 2.630 20 0 GFADRO CC(C)(C)CC[NH+]1CCN(C(=O)NCc2cnc(Br)cn2)CC1 ZINC000923528138 664632665 /nfs/dbraw/zinc/63/26/65/664632665.db2.gz BPZKHYWCZWBKNC-UHFFFAOYSA-N 1 0 384.322 2.503 20 0 GFADRO Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)NS(=O)(=O)[C@H]1CCC[NH2+]C1 ZINC000923607214 664634487 /nfs/dbraw/zinc/63/44/87/664634487.db2.gz YLXQNLWSOBNZBN-DOMZBBRYSA-N 1 0 383.514 2.990 20 0 GFADRO [NH3+]C[C@H]1CC2(CO1)CCN(S(=O)(=O)c1ccc(Cl)c(Cl)c1)CC2 ZINC000923687375 664635814 /nfs/dbraw/zinc/63/58/14/664635814.db2.gz WIISLKCDMDTSKA-LLVKDONJSA-N 1 0 379.309 2.512 20 0 GFADRO [NH3+]C[C@H]1CC2(CO1)CCN(S(=O)(=O)Cc1cc(Cl)cc(Cl)c1)CC2 ZINC000923689087 664636015 /nfs/dbraw/zinc/63/60/15/664636015.db2.gz YPHPGVFEBIGSKO-OAHLLOKOSA-N 1 0 393.336 2.653 20 0 GFADRO CCCOc1ccc(Br)cc1S(=O)(=O)N1CC[C@H](CC[NH3+])C1 ZINC000923701086 664636379 /nfs/dbraw/zinc/63/63/79/664636379.db2.gz YERAVBWMYZJBTD-LBPRGKRZSA-N 1 0 391.331 2.597 20 0 GFADRO [NH3+]CC[C@H]1Cc2ccccc2N(S(=O)(=O)c2ccc(Br)o2)C1 ZINC000923744397 664637577 /nfs/dbraw/zinc/63/75/77/664637577.db2.gz HHVJMLQDFQNUJG-NSHDSACASA-N 1 0 385.283 2.759 20 0 GFADRO C[C@@H]([NH2+]CC1(c2cccc(Br)c2)CCOCC1)c1cnn(C)n1 ZINC000924819451 664662277 /nfs/dbraw/zinc/66/22/77/664662277.db2.gz DFABRAAETJUOIM-CYBMUJFWSA-N 1 0 379.302 2.977 20 0 GFADRO CC(C)(C)NS(=O)(=O)CC[NH2+][C@H]1CCCc2ncc(Br)cc21 ZINC000924832376 664662462 /nfs/dbraw/zinc/66/24/62/664662462.db2.gz HTXCUIQPJPAJGI-ZDUSSCGKSA-N 1 0 390.347 2.529 20 0 GFADRO C[C@H](c1nc(C(F)(F)F)cs1)N1C(=O)N[C@H](C[NH+]2CCCCC2)C1=O ZINC000924851806 664662783 /nfs/dbraw/zinc/66/27/83/664662783.db2.gz GOHURPCBBCZOMI-NXEZZACHSA-N 1 0 376.404 2.629 20 0 GFADRO C[C@@H]([NH2+]CCc1ccccc1Br)C1CCN(S(C)(=O)=O)CC1 ZINC000924864722 664663040 /nfs/dbraw/zinc/66/30/40/664663040.db2.gz BUDKUDWIAIPPDC-CYBMUJFWSA-N 1 0 389.359 2.641 20 0 GFADRO CN1CC[N@H+](C)C[C@@H]1CN[C@H](c1ccc(Br)cc1)c1cccnc1 ZINC000925029968 664665671 /nfs/dbraw/zinc/66/56/71/664665671.db2.gz GNQIFXLHDYBXBX-RBUKOAKNSA-N 1 0 389.341 2.769 20 0 GFADRO CN(Cc1nc2c(s1)CCCC2)C(=O)N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000925152193 664667453 /nfs/dbraw/zinc/66/74/53/664667453.db2.gz GQJVUPBBSNABKF-DZGCQCFKSA-N 1 0 380.583 2.743 20 0 GFADRO C[N@@H+]1CCC[C@@H](CCN2C(=O)CN(Cc3cccc(Br)c3)C2=O)C1 ZINC000925320704 664670575 /nfs/dbraw/zinc/67/05/75/664670575.db2.gz GHYBPRLJAXIPOZ-AWEZNQCLSA-N 1 0 394.313 2.945 20 0 GFADRO C[C@@H](C[NH2+][C@@H]1C(=O)NCC12CCOCC2)Sc1ccc(Br)cc1 ZINC000925391346 664671548 /nfs/dbraw/zinc/67/15/48/664671548.db2.gz VOOZXBHKBAIVTM-SWLSCSKDSA-N 1 0 399.354 2.815 20 0 GFADRO O[C@H](C[NH2+][C@@H](C1CC1)[C@H]1CCCOC1)COc1ccccc1Br ZINC000925544710 664673006 /nfs/dbraw/zinc/67/30/06/664673006.db2.gz UUVCQJFXKIHTKK-DAYGRLMNSA-N 1 0 384.314 2.984 20 0 GFADRO CCC1([NH3+])CCN([C@H](C)c2ccc(S(=O)(=O)C(F)F)c(OC)c2)CC1 ZINC000925755924 664674420 /nfs/dbraw/zinc/67/44/20/664674420.db2.gz ISEFHBBMKHJFDW-GFCCVEGCSA-N 1 0 376.469 2.956 20 0 GFADRO CC(C)[C@@H]([NH2+]CC[C@@H]1CNCCS1(=O)=O)c1cccc(C(F)(F)F)c1 ZINC000925801412 664675046 /nfs/dbraw/zinc/67/50/46/664675046.db2.gz WUFBODXXQZOWCT-HZPDHXFCSA-N 1 0 378.460 2.769 20 0 GFADRO [NH3+]C1CCN(CCNC(=O)Nc2ccc(Br)c(Cl)c2)CC1 ZINC000926074582 664680837 /nfs/dbraw/zinc/68/08/37/664680837.db2.gz MOMOOQZQPUBBML-UHFFFAOYSA-N 1 0 375.698 2.647 20 0 GFADRO Cc1nc(NC(=O)N2CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C2)ccc1Br ZINC000926091705 664681410 /nfs/dbraw/zinc/68/14/10/664681410.db2.gz QOFMPWPJQWDKGG-SCZZXKLOSA-N 1 0 381.196 2.896 20 0 GFADRO CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NC(=O)c1cc(Br)cs1)C2 ZINC000926176203 664683958 /nfs/dbraw/zinc/68/39/58/664683958.db2.gz NWGUMDSBJCYPPE-ZNEHSRBWSA-N 1 0 387.343 2.720 20 0 GFADRO Cc1ccc([C@@H](NC[C@]2(O)CC[N@@H+](C)C2)c2cncc(Br)c2)cc1 ZINC000926174613 664683984 /nfs/dbraw/zinc/68/39/84/664683984.db2.gz SOYHEQKMZQVDRI-RTBURBONSA-N 1 0 390.325 2.898 20 0 GFADRO COCCO[C@@H]1COCC[C@@H]1[NH2+][C@H]1CCCc2ncc(Br)cc21 ZINC000926217274 664684847 /nfs/dbraw/zinc/68/48/47/664684847.db2.gz RHTXBGLELCZXDQ-YESZJQIVSA-N 1 0 385.302 2.632 20 0 GFADRO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NC(=O)c3cc(Cl)ncc3Cl)C2)[C@H]1C(C)C ZINC000926244261 664685134 /nfs/dbraw/zinc/68/51/34/664685134.db2.gz NOUHYIMSCKYJKN-SZXPJGKVSA-N 1 0 386.323 2.988 20 0 GFADRO CCc1nnc(NC(=O)[C@H](C)[C@H](C)[NH2+][C@H](C)C2(Br)CC2)s1 ZINC000926419578 664689718 /nfs/dbraw/zinc/68/97/18/664689718.db2.gz PXURMJLJHLOPCG-KXUCPTDWSA-N 1 0 375.336 2.969 20 0 GFADRO COc1ccc(C[C@@H](CO)C[NH2+][C@@H]2[C@@H](C)COC[C@H]2C)cc1Br ZINC000926541757 664691898 /nfs/dbraw/zinc/69/18/98/664691898.db2.gz QAYMHHNTMKMGBN-OSDKZWGASA-N 1 0 386.330 2.869 20 0 GFADRO Cc1c(Br)cccc1C[C@@H](CO)C[NH2+][C@H](C)c1cc(CO)on1 ZINC000926544623 664692151 /nfs/dbraw/zinc/69/21/51/664692151.db2.gz QIZJQOLFRUPAOW-CHWSQXEVSA-N 1 0 383.286 2.740 20 0 GFADRO CC(C)(C)OC(=O)N[C@H]1C[C@@H]([NH2+]CCCCS(C)(=O)=O)CC(C)(C)C1 ZINC000926614273 664693955 /nfs/dbraw/zinc/69/39/55/664693955.db2.gz KRBCDXDMMLJJPZ-CABCVRRESA-N 1 0 376.563 2.873 20 0 GFADRO O=C1NCC2(CCOCC2)[C@@H]1[NH2+][C@@H]1CSCc2ccc(Br)cc21 ZINC000926700077 664695600 /nfs/dbraw/zinc/69/56/00/664695600.db2.gz NCYJFISDLPQODT-HUUCEWRRSA-N 1 0 397.338 2.622 20 0 GFADRO C[C@@H](NCCC[N@@H+]1CCC[C@H]1C(N)=O)c1ncc(C(F)(F)F)cc1Cl ZINC000926747891 664696204 /nfs/dbraw/zinc/69/62/04/664696204.db2.gz CHIOWLWTFUWGRL-MFKMUULPSA-N 1 0 378.826 2.744 20 0 GFADRO CN1CC[C@H]([NH2+]C2CC(CC(N)=O)C2)C[C@H]1c1ccc(Br)cc1 ZINC000926885990 664698504 /nfs/dbraw/zinc/69/85/04/664698504.db2.gz CFFIFLJRJXMKMQ-LCDBUSSMSA-N 1 0 380.330 2.828 20 0 GFADRO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]C[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000926945318 664699307 /nfs/dbraw/zinc/69/93/07/664699307.db2.gz NNOBIIIWQQJHDK-MPTQWLOMSA-N 1 0 383.286 2.560 20 0 GFADRO C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]CC(C)(C)CS(C)(=O)=O ZINC000926952709 664699325 /nfs/dbraw/zinc/69/93/25/664699325.db2.gz BRDREEZIBPWYIZ-CQSZACIVSA-N 1 0 388.961 2.737 20 0 GFADRO CN(Cc1ncc(Br)cn1)C(=O)[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000926969479 664699898 /nfs/dbraw/zinc/69/98/98/664699898.db2.gz HGEPOHOQCWBLPY-JKSUJKDBSA-N 1 0 389.297 2.543 20 0 GFADRO CS(=O)(=O)C[C@H](O)C[NH2+][C@H]1CCCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000927026673 664702363 /nfs/dbraw/zinc/70/23/63/664702363.db2.gz CIEGIQASWFTTRT-PMPSAXMXSA-N 1 0 379.444 2.727 20 0 GFADRO CS(=O)(=O)C[C@@H](O)C[NH2+]C1CCC(c2cccc(C(F)(F)F)c2)CC1 ZINC000927024905 664702394 /nfs/dbraw/zinc/70/23/94/664702394.db2.gz MOHWAJGVWVNHLW-MOQPWLNLSA-N 1 0 379.444 2.727 20 0 GFADRO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CCOC1CCOCC1 ZINC000927076075 664703092 /nfs/dbraw/zinc/70/30/92/664703092.db2.gz QDDUKIGZTWZYQG-CYBMUJFWSA-N 1 0 385.302 2.951 20 0 GFADRO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CCOC1CCOCC1 ZINC000927078604 664703186 /nfs/dbraw/zinc/70/31/86/664703186.db2.gz MHVBXIGCKQXXFQ-CYBMUJFWSA-N 1 0 385.302 2.951 20 0 GFADRO CCC1([NH+](C)C)CCN(C(=O)NCC2(n3cc(Br)cn3)CC2)CC1 ZINC000927116878 664704551 /nfs/dbraw/zinc/70/45/51/664704551.db2.gz SLGXCOGDTLXABZ-UHFFFAOYSA-N 1 0 398.349 2.651 20 0 GFADRO O[C@@H]1C[C@H]([NH2+][C@H]2CCc3ccc(I)cc32)C12CCOCC2 ZINC000927151721 664705266 /nfs/dbraw/zinc/70/52/66/664705266.db2.gz CERJPRUHMFLAIJ-HRCADAONSA-N 1 0 399.272 2.798 20 0 GFADRO CC[C@H]([NH3+])CNC(=O)C(=O)Nc1cc(Br)cc(C(F)(F)F)c1C ZINC000927799134 664716033 /nfs/dbraw/zinc/71/60/33/664716033.db2.gz JAIGBVHPDCVGHZ-VIFPVBQESA-N 1 0 396.207 2.568 20 0 GFADRO C[C@@H]1[C@@H](NC(=O)c2c(Cl)ccc(I)c2F)CC[N@@H+]1C ZINC000928425205 664732393 /nfs/dbraw/zinc/73/23/93/664732393.db2.gz HLCCCUWBNRYUEL-XCBNKYQSSA-N 1 0 396.631 2.906 20 0 GFADRO C[C@H]1[C@@H](NC(=O)c2c(F)ccc(I)c2Cl)CC[N@@H+]1C ZINC000928428716 664732413 /nfs/dbraw/zinc/73/24/13/664732413.db2.gz SPAMWCUMOQQLHU-XVKPBYJWSA-N 1 0 396.631 2.906 20 0 GFADRO C[C@@H]1[C@H](NC(=O)CCC[S@](=O)c2ccc(Br)cc2)CC[N@@H+]1C ZINC000928449092 664732699 /nfs/dbraw/zinc/73/26/99/664732699.db2.gz PQFKJXCTWGVOQO-SIMDFCGZSA-N 1 0 387.343 2.546 20 0 GFADRO C[C@@H](C(=O)N(C)C1CC[NH+](C)CC1)c1ccc(I)cc1 ZINC000929120118 664746770 /nfs/dbraw/zinc/74/67/70/664746770.db2.gz RDCHHZLGAWPIAI-GFCCVEGCSA-N 1 0 386.277 2.947 20 0 GFADRO FC(F)(F)COCCC[NH+]1CCN(C[C@@H]2CC[C@H](C(F)(F)F)O2)CC1 ZINC000929346340 664750755 /nfs/dbraw/zinc/75/07/55/664750755.db2.gz APVBTZDBOGWLRD-QWHCGFSZSA-N 1 0 378.357 2.683 20 0 GFADRO Cc1ccc2[nH]c(C(=O)NCCCN3CC[NH+](C)CC3)cc2c1Br ZINC000929421585 664752042 /nfs/dbraw/zinc/75/20/42/664752042.db2.gz KGSTVNCHEQJJLL-UHFFFAOYSA-N 1 0 393.329 2.606 20 0 GFADRO Cc1ccc(NC(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)cc1Br ZINC000929503523 664753420 /nfs/dbraw/zinc/75/34/20/664753420.db2.gz JHFJCXAWUYGTBY-CVEARBPZSA-N 1 0 382.302 2.820 20 0 GFADRO C[C@H](c1cccc(S(N)(=O)=O)c1)[N@H+](C)C[C@H]1CCC[C@H](C(F)(F)F)O1 ZINC000929963414 664760392 /nfs/dbraw/zinc/76/03/92/664760392.db2.gz JJRUAGSSGLBRTQ-UXIGCNINSA-N 1 0 380.432 2.827 20 0 GFADRO C[N@H+]1C[C@H]2CN(C(=O)Nc3ccc(N4CCSCC4)c(Cl)c3)C[C@H]2C1 ZINC000930057242 664761826 /nfs/dbraw/zinc/76/18/26/664761826.db2.gz BWKQNBKABIKSSX-OKILXGFUSA-N 1 0 380.945 2.919 20 0 GFADRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2cnc(Br)c(C)c2)cc1 ZINC000930209370 664764588 /nfs/dbraw/zinc/76/45/88/664764588.db2.gz AAODLUOBERDTAP-LBPRGKRZSA-N 1 0 398.326 2.911 20 0 GFADRO CCO[C@@H](CNC(=O)Nc1c(F)cc(Br)cc1F)C[NH+](C)C ZINC000930252109 664765313 /nfs/dbraw/zinc/76/53/13/664765313.db2.gz OYBHFTHCDXMXIK-JTQLQIEISA-N 1 0 380.233 2.816 20 0 GFADRO Cc1ccc(NC(=O)N[C@H]2CCC[N@@H+]3CCSC[C@H]23)c(Br)n1 ZINC000930462668 664771110 /nfs/dbraw/zinc/77/11/10/664771110.db2.gz NHSDGQXSLFDXKC-WCQYABFASA-N 1 0 385.331 2.854 20 0 GFADRO CC1(C)Cc2c(cccc2Br)[C@H]1[NH2+]C[C@@H](O)C1(O)CCOCC1 ZINC000930553887 664773179 /nfs/dbraw/zinc/77/31/79/664773179.db2.gz ZJBDBPPGKPKESR-HZPDHXFCSA-N 1 0 384.314 2.565 20 0 GFADRO Cc1nc(Br)ccc1NC(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000930686580 664776157 /nfs/dbraw/zinc/77/61/57/664776157.db2.gz KQTZLOAYXOHBMW-OLZOCXBDSA-N 1 0 385.331 2.854 20 0 GFADRO C[C@@H]1C[N@H+](CCCCOc2ccc(Br)cc2)[C@@H](C)CN1CCO ZINC000930744787 664777460 /nfs/dbraw/zinc/77/74/60/664777460.db2.gz TVSZQHUNLSTICW-JKSUJKDBSA-N 1 0 385.346 2.995 20 0 GFADRO Cc1cc(Br)c(NC(=O)NCC[NH+]2CCC(O)CC2)cc1Cl ZINC000930847433 664779530 /nfs/dbraw/zinc/77/95/30/664779530.db2.gz HNNKWJKFSRAUNA-UHFFFAOYSA-N 1 0 390.709 2.989 20 0 GFADRO C[NH+]1CCN(c2ccc(Br)cc2NC(=O)CC2(C)COC2)CC1 ZINC000930905907 664780779 /nfs/dbraw/zinc/78/07/79/664780779.db2.gz ULBDWXJAWYSDTI-UHFFFAOYSA-N 1 0 382.302 2.566 20 0 GFADRO C[N@@H+]1CC[C@@H]1CNC(=O)Nc1ccnn1Cc1ccc(Br)cc1 ZINC000930943098 664781539 /nfs/dbraw/zinc/78/15/39/664781539.db2.gz JSURIXRJTXYQHP-CQSZACIVSA-N 1 0 378.274 2.520 20 0 GFADRO Cn1cnc(/C=C/C(=O)N(CC[NH+](C)C)Cc2ccc(Br)cc2)c1 ZINC000930981485 664782406 /nfs/dbraw/zinc/78/24/06/664782406.db2.gz XFTMZPKVVIPLCD-CMDGGOBGSA-N 1 0 391.313 2.786 20 0 GFADRO Cn1cc(Br)c(C(=O)NC2CC[NH+](CC3CCCC3)CC2)cc1=O ZINC000930995875 664782543 /nfs/dbraw/zinc/78/25/43/664782543.db2.gz OGZPZWMAKIKHNF-UHFFFAOYSA-N 1 0 396.329 2.532 20 0 GFADRO CC[N@H+](Cc1ccc(Br)nc1N)[C@H]1CCN(CC(F)(F)F)C1 ZINC000931005003 664782689 /nfs/dbraw/zinc/78/26/89/664782689.db2.gz DMUVYJULTFKQKH-NSHDSACASA-N 1 0 381.240 2.885 20 0 GFADRO COC(=O)c1cc(Br)c(C[N@@H+]2CC[C@@H]3COC[C@@H]3C2)cc1OC ZINC000931058939 664784211 /nfs/dbraw/zinc/78/42/11/664784211.db2.gz GNWSYTUZZISVEK-YPMHNXCESA-N 1 0 384.270 2.713 20 0 GFADRO COC(=O)c1cc(Br)c(CN2C[C@@H](C)[C@](C)(CO)C2)cc1OC ZINC000931067468 664784385 /nfs/dbraw/zinc/78/43/85/664784385.db2.gz ULUXJDRCILYVME-DIFFPNOSSA-N 1 0 386.286 2.695 20 0 GFADRO CCO[C@@H](CNC(=O)Nc1cc(F)cc(Br)c1F)C[NH+](C)C ZINC000931119776 664786358 /nfs/dbraw/zinc/78/63/58/664786358.db2.gz IEOWYQBRRQYZQO-JTQLQIEISA-N 1 0 380.233 2.816 20 0 GFADRO CC[N@@H+]1CCC[C@H](CNC(=O)[C@@](C)(O)c2ccc(F)c(Br)c2)C1 ZINC000931128161 664786697 /nfs/dbraw/zinc/78/66/97/664786697.db2.gz SGKSYOKLZRFDMK-PXAZEXFGSA-N 1 0 387.293 2.644 20 0 GFADRO Cc1c(Br)ccc(NC(=O)N2CCN(C)CC[N@@H+](C)CC2)c1F ZINC000931140857 664786799 /nfs/dbraw/zinc/78/67/99/664786799.db2.gz KKSDJLBXQMGYQV-UHFFFAOYSA-N 1 0 387.297 2.608 20 0 GFADRO CNS(=O)(=O)C[C@@H]1CCC[N@H+](Cc2cccc(C)c2Br)C1 ZINC000931338822 664792154 /nfs/dbraw/zinc/79/21/54/664792154.db2.gz TVMZOTMERQAXFX-CYBMUJFWSA-N 1 0 375.332 2.519 20 0 GFADRO CS(C)(=O)=Nc1ccc(NC(=O)N[C@H]2CCC[N@@H+]3CCSC[C@H]23)cc1 ZINC000931536825 664797844 /nfs/dbraw/zinc/79/78/44/664797844.db2.gz XMIVAKFOHXJJSY-JKSUJKDBSA-N 1 0 382.555 2.747 20 0 GFADRO COCCC[NH+]1CCC(NC(=O)c2cc(Br)cc(OC)c2)CC1 ZINC000931629255 664801057 /nfs/dbraw/zinc/80/10/57/664801057.db2.gz XRRNDUIENMIXJG-UHFFFAOYSA-N 1 0 385.302 2.688 20 0 GFADRO COC1(OC)CCOC[C@@H]1[NH2+]Cc1ccc(Br)c2cccnc12 ZINC000931672771 664802399 /nfs/dbraw/zinc/80/23/99/664802399.db2.gz FFAOUKRYZSZKTJ-HNNXBMFYSA-N 1 0 381.270 2.865 20 0 GFADRO C[NH+](C)[C@@H]1CCCN(C(=O)c2cnn(Cc3ccccc3)c2Br)C1 ZINC000931692571 664802908 /nfs/dbraw/zinc/80/29/08/664802908.db2.gz MGQBGMWRJJWULI-OAHLLOKOSA-N 1 0 391.313 2.860 20 0 GFADRO CCCN(CC[NH+](C)C)C(=O)c1cc2ccc(Br)cc2c(=O)o1 ZINC000932035553 664809274 /nfs/dbraw/zinc/80/92/74/664809274.db2.gz ZOEZRNDTNLZBQI-UHFFFAOYSA-N 1 0 381.270 2.969 20 0 GFADRO COC(=O)C[C@@H]1C[N@H+](CCC(=O)Nc2ccccc2Br)C[C@H]1C ZINC000932106018 664810248 /nfs/dbraw/zinc/81/02/48/664810248.db2.gz FHJSVQHTVWODDD-CHWSQXEVSA-N 1 0 383.286 2.909 20 0 GFADRO Cc1ncc(NC(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)c(C)c1Br ZINC000932785759 664838566 /nfs/dbraw/zinc/83/85/66/664838566.db2.gz LPIZTFMWJWHQAM-GJZGRUSLSA-N 1 0 397.317 2.524 20 0 GFADRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C[C@H]1C(=O)Nc2ccc(Br)cc21 ZINC000932907899 664842641 /nfs/dbraw/zinc/84/26/41/664842641.db2.gz LMXZZAJDAMYQPQ-IUODEOHRSA-N 1 0 394.313 2.675 20 0 GFADRO Cc1c(Br)ccc(F)c1C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000932915013 664842808 /nfs/dbraw/zinc/84/28/08/664842808.db2.gz ZLJSNNKNSHTBOP-AWEZNQCLSA-N 1 0 398.320 2.749 20 0 GFADRO O[C@@H]1CCOC2(CC[NH+](CCOc3cc(F)cc(Br)c3)CC2)C1 ZINC000933055404 664848550 /nfs/dbraw/zinc/84/85/50/664848550.db2.gz DPOKEYOFELCEBG-OAHLLOKOSA-N 1 0 388.277 2.973 20 0 GFADRO O=C(CC[NH+]1CCC2(CC1)C[C@H](O)CCO2)Nc1ccccc1Br ZINC000933059189 664848705 /nfs/dbraw/zinc/84/87/05/664848705.db2.gz CYYOPZYJOGJABU-CQSZACIVSA-N 1 0 397.313 2.784 20 0 GFADRO O[C@@H]1CCOC2(CC[NH+](Cc3cn4cc(Br)ccc4n3)CC2)C1 ZINC000933063873 664848723 /nfs/dbraw/zinc/84/87/23/664848723.db2.gz RKKIAMJESZLKKH-OAHLLOKOSA-N 1 0 380.286 2.603 20 0 GFADRO OC[C@H]([NH2+]C[C@@H](O)c1cc(Br)no1)c1ccccc1C(F)(F)F ZINC000933243288 664853410 /nfs/dbraw/zinc/85/34/10/664853410.db2.gz OGAXAERLABZDDG-WDEREUQCSA-N 1 0 395.175 2.813 20 0 GFADRO O=C(NCC[N@@H+]1CCCOCC1)Nc1c(F)ccc(Br)c1F ZINC000933297846 664856493 /nfs/dbraw/zinc/85/64/93/664856493.db2.gz BLBPGIKGAWRZRY-UHFFFAOYSA-N 1 0 378.217 2.571 20 0 GFADRO O=C(NC[C@@H]1CCCC[N@H+]1CCO)Nc1c(F)ccc(Br)c1F ZINC000933300896 664856954 /nfs/dbraw/zinc/85/69/54/664856954.db2.gz MNDIMVVRGBDNKM-JTQLQIEISA-N 1 0 392.244 2.696 20 0 GFADRO O=c1cc(C[NH2+]C2([C@H]3CCCCO3)CC2)nc2ccc(Br)cn12 ZINC000933378528 664860929 /nfs/dbraw/zinc/86/09/29/664860929.db2.gz OXZAGPBSIHSTGZ-CQSZACIVSA-N 1 0 378.270 2.648 20 0 GFADRO CNC(=O)c1cccc(C[NH2+][C@@](C)(CO)Cc2ccc(Br)cc2)c1 ZINC000933438656 664864237 /nfs/dbraw/zinc/86/42/37/664864237.db2.gz YLUQTSADUOCXPQ-LJQANCHMSA-N 1 0 391.309 2.892 20 0 GFADRO O=C(c1cc(F)cc(Br)c1F)N1CC[NH+](C2CCOCC2)CC1 ZINC000934043518 664888726 /nfs/dbraw/zinc/88/87/26/664888726.db2.gz LAOKSKGQYORGPL-UHFFFAOYSA-N 1 0 389.240 2.664 20 0 GFADRO O=C1CC[N@H+](C[C@@H](O)COc2c(Cl)cccc2Cl)CCCCCN1 ZINC000934163902 664891127 /nfs/dbraw/zinc/89/11/27/664891127.db2.gz USGQVYOSVIJJKF-CYBMUJFWSA-N 1 0 375.296 2.725 20 0 GFADRO O=[S@](CCN1CC[C@@H]2[C@H]1CCC[N@H+]2CCO)c1cc(Cl)ccc1Cl ZINC000934260175 664895115 /nfs/dbraw/zinc/89/51/15/664895115.db2.gz MTIYOYHPGKITGZ-DQIAKBPPSA-N 1 0 391.364 2.632 20 0 GFADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)Nc3c(Br)cnn3C3CC3)CC[C@H]21 ZINC000934373876 664903387 /nfs/dbraw/zinc/90/33/87/664903387.db2.gz LZRKKWIBPCKFFC-BXUZGUMPSA-N 1 0 382.306 2.929 20 0 GFADRO Brc1ccccc1-c1nnc(C[NH2+][C@@H]2CCOC23CCOCC3)o1 ZINC000934409768 664906186 /nfs/dbraw/zinc/90/61/86/664906186.db2.gz MJMMXQGBRGIHOG-CQSZACIVSA-N 1 0 394.269 2.927 20 0 GFADRO C[C@](CO)([NH2+]C[C@H](O)C[C@H](O)c1ccccc1)c1cccc(Br)c1 ZINC000934493194 664908317 /nfs/dbraw/zinc/90/83/17/664908317.db2.gz JLUDUEKBQCHAIV-CEXWTWQISA-N 1 0 394.309 2.731 20 0 GFADRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3cc(Br)c4nccnc4c3)CC[C@H]21 ZINC000934889851 664928385 /nfs/dbraw/zinc/92/83/85/664928385.db2.gz KJRQSYCUOMTBBA-BLLLJJGKSA-N 1 0 389.297 2.949 20 0 GFADRO Cc1cc(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)oc1Br ZINC000934915216 664930182 /nfs/dbraw/zinc/93/01/82/664930182.db2.gz WPDPTZSVSYSBLM-ZIAGYGMSSA-N 1 0 385.302 2.848 20 0 GFADRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2ccc3c(Br)cnn3c2)C1 ZINC000934952545 664931740 /nfs/dbraw/zinc/93/17/40/664931740.db2.gz UANQGGNYQTVWEJ-IUODEOHRSA-N 1 0 377.286 2.653 20 0 GFADRO C[NH+](C)CC1CCC(NC(=O)c2cnn3cccc(Br)c23)CC1 ZINC000935029644 664934587 /nfs/dbraw/zinc/93/45/87/664934587.db2.gz SADDFMVPYYATIO-UHFFFAOYSA-N 1 0 379.302 2.947 20 0 GFADRO C[N@@H+]1CC[C@H](NC(=O)C2(n3cc(Br)cn3)CC2)[C@H]1c1ccccc1 ZINC000935116721 664940854 /nfs/dbraw/zinc/94/08/54/664940854.db2.gz ANUGRRCMRQHQFI-JKSUJKDBSA-N 1 0 389.297 2.696 20 0 GFADRO C[NH+]1CCC(OCC(=O)N2CCc3c(Br)ccc(F)c3C2)CC1 ZINC000935376861 664957503 /nfs/dbraw/zinc/95/75/03/664957503.db2.gz IIWDHQDKUGFLAE-UHFFFAOYSA-N 1 0 385.277 2.584 20 0 GFADRO C[C@@H](NC(=O)c1cc(=O)n(C)cc1Br)[C@@H](c1ccccc1)[NH+](C)C ZINC000935437057 664961295 /nfs/dbraw/zinc/96/12/95/664961295.db2.gz GINJTKGBJVQIGI-PXAZEXFGSA-N 1 0 392.297 2.569 20 0 GFADRO C[C@@H]1C[N@H+](CCCNC(=O)c2cnc(CCC(F)(F)F)s2)CCCO1 ZINC000935654297 664978616 /nfs/dbraw/zinc/97/86/16/664978616.db2.gz GQDSTEWZQUFVFY-GFCCVEGCSA-N 1 0 379.448 2.869 20 0 GFADRO C[C@H](C(=O)NOC1CC[NH+](C)CC1)c1ccc(I)cc1 ZINC000935842006 664992379 /nfs/dbraw/zinc/99/23/79/664992379.db2.gz IXWWRMIMQVLYOY-NSHDSACASA-N 1 0 388.249 2.537 20 0 GFADRO CN(C(=O)[C@](C)(O)c1ccc(F)c(Br)c1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000935942511 665000480 /nfs/dbraw/zinc/00/04/80/665000480.db2.gz ODIQNMZTUOTCMO-HQYGPGPXSA-N 1 0 399.304 2.879 20 0 GFADRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1ccc2c(Br)cnn2c1 ZINC000935975613 665002032 /nfs/dbraw/zinc/00/20/32/665002032.db2.gz IXVPQFRPDDRRDV-DOMZBBRYSA-N 1 0 377.286 2.796 20 0 GFADRO C[C@H]1CCN(c2ncnc3cccc(I)c32)[C@@H](C[NH3+])C1 ZINC000957128493 665013052 /nfs/dbraw/zinc/01/30/52/665013052.db2.gz WBFGRQREDNIWCS-WDEREUQCSA-N 1 0 382.249 2.798 20 0 GFADRO O=C([C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)N1CC[C@@H]([NH2+]Cc2cccc(Br)c2)C1 ZINC000969407669 665014949 /nfs/dbraw/zinc/01/49/49/665014949.db2.gz PPQGWXHRQLEYNV-ZXXIGWHRSA-N 1 0 391.309 2.563 20 0 GFADRO C[C@@H]1[C@H](C(=O)N[C@@H]2CCCC[C@H]2NC(=O)c2ccsc2Cl)CC[N@@H+]1C ZINC000976667835 665017121 /nfs/dbraw/zinc/01/71/21/665017121.db2.gz IQSWKVJSUOUAFD-QHSBEEBCSA-N 1 0 383.945 2.899 20 0 GFADRO C[C@@H]1[C@H](C(=O)NC[C@H]2CC[C@@H](NC(=O)c3cscc3Cl)C2)CC[N@@H+]1C ZINC000981467024 665018218 /nfs/dbraw/zinc/01/82/18/665018218.db2.gz NZKKUUIBTGEROV-XJFOESAGSA-N 1 0 383.945 2.756 20 0 GFADRO CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCN1C(=O)c1cc(Cl)cs1 ZINC000984946607 665019292 /nfs/dbraw/zinc/01/92/92/665019292.db2.gz MFGDTWALRFGOJT-REBRKWNGSA-N 1 0 383.945 2.851 20 0 GFADRO CC[C@@H]1[C@@H](C(=O)N2CC[C@H](NC(=O)c3csc(Cl)c3)[C@H]2C)CC[N@@H+]1C ZINC000987957741 665019963 /nfs/dbraw/zinc/01/99/63/665019963.db2.gz INZVWMURLLKVRA-UQOMUDLDSA-N 1 0 383.945 2.851 20 0 GFADRO C[NH+](C)[C@H](C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1csc(Cl)c1)C2)C1CC1 ZINC000996387612 665030620 /nfs/dbraw/zinc/03/06/20/665030620.db2.gz GGTIWRKVOOONNG-HOSILWTGSA-N 1 0 381.929 2.603 20 0 GFADRO Cc1csc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)C[NH+]2CCCC2)c1Cl ZINC000996747172 665033549 /nfs/dbraw/zinc/03/35/49/665033549.db2.gz QSEBQJHSWVQVCQ-RDBSUJKOSA-N 1 0 381.929 2.667 20 0 GFADRO C[N@@H+]1CC[C@H](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)c2csc(Cl)c2)C1 ZINC000998629723 665040480 /nfs/dbraw/zinc/04/04/80/665040480.db2.gz IFBYJOOJGQSNHV-RZFFKMDDSA-N 1 0 381.929 2.605 20 0 GFADRO C[NH+](C)[C@H](C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1csc(Cl)c1)C2)C1CC1 ZINC001002614092 665055477 /nfs/dbraw/zinc/05/54/77/665055477.db2.gz GGTIWRKVOOONNG-NYTXWWLZSA-N 1 0 381.929 2.603 20 0 GFADRO C[C@@H]1[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2ccc(Cl)s2)CC[N@@H+]1C ZINC001003131448 665058901 /nfs/dbraw/zinc/05/89/01/665058901.db2.gz AAGKAOCRQJLKID-KSTCHIGDSA-N 1 0 381.929 2.603 20 0 GFADRO Cc1csc(Cl)c1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001004831547 665065796 /nfs/dbraw/zinc/06/57/96/665065796.db2.gz WTKKIDUVDUGXTA-DGAVXFQQSA-N 1 0 381.929 2.523 20 0 GFADRO O=C(N[C@H]1C[C@H]([NH2+]Cc2cccc(Br)c2)C1)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001020407858 665073338 /nfs/dbraw/zinc/07/33/38/665073338.db2.gz IFYNJIKPIGIGCI-DJKVBGFSSA-N 1 0 391.309 2.609 20 0 GFADRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2ccc(Br)cc2)C1)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001022452216 665073911 /nfs/dbraw/zinc/07/39/11/665073911.db2.gz KHJRHFWOPGXJTM-QSAAJNHFSA-N 1 0 391.309 2.609 20 0 GFADRO O=C(NC1CCC([NH2+]Cc2cnc(Cl)s2)CC1)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001026531496 665074697 /nfs/dbraw/zinc/07/46/97/665074697.db2.gz KESCEOGDSGSLPN-SFEHRALVSA-N 1 0 381.929 2.737 20 0 GFADRO C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1Nc1nc(C(F)(F)F)cs1 ZINC001043564635 665076359 /nfs/dbraw/zinc/07/63/59/665076359.db2.gz NRESOBJIEIVHTD-DDHJBXDOSA-N 1 0 376.448 2.761 20 0 GFADRO C[N@H+](CCCO)C1CCN(c2ncnc3ccc(Br)cc32)CC1 ZINC000115519733 677395385 /nfs/dbraw/zinc/39/53/85/677395385.db2.gz PAMXHXCFYIUMRT-UHFFFAOYSA-N 1 0 379.302 2.675 20 0 GFADRO O=C(Nc1cccc(Br)c1)C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000120574948 677396952 /nfs/dbraw/zinc/39/69/52/677396952.db2.gz YURLXUMULJCMMG-INIZCTEOSA-N 1 0 394.313 2.865 20 0 GFADRO Cc1cc(NC(=O)C(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)ccc1Br ZINC000120722870 677397604 /nfs/dbraw/zinc/39/76/04/677397604.db2.gz UWAINGACICTGNM-OCCSQVGLSA-N 1 0 382.302 2.637 20 0 GFADRO CCN(CCC[NH+](CC)CC)S(=O)(=O)c1c(Cl)nc2sccn21 ZINC000390996569 677409029 /nfs/dbraw/zinc/40/90/29/677409029.db2.gz PXHBGKIUWHSWDW-UHFFFAOYSA-N 1 0 378.951 2.792 20 0 GFADRO CS(=O)(=O)c1ccc([C@H](O)C[NH2+]Cc2csc(Br)c2)cc1 ZINC000397416971 677411725 /nfs/dbraw/zinc/41/17/25/677411725.db2.gz YCHGPTFYTKZDLZ-CYBMUJFWSA-N 1 0 390.324 2.737 20 0 GFADRO COc1cc(F)c(Br)cc1S(=O)(=O)N[C@H](C)C[N@H+](C)C(C)C ZINC000580217117 677673861 /nfs/dbraw/zinc/67/38/61/677673861.db2.gz SQJUFBZZQSZMCH-SNVBAGLBSA-N 1 0 397.310 2.604 20 0 GFADRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)NCc1ccsc1Br ZINC000580049693 677673672 /nfs/dbraw/zinc/67/36/72/677673672.db2.gz KGBDPDLKRUODTM-ZDUSSCGKSA-N 1 0 390.347 2.763 20 0 GFADRO COc1ccc(S(=O)(=O)N2CCC([NH2+][C@H](C)c3cscn3)CC2)cc1 ZINC000580225443 677673871 /nfs/dbraw/zinc/67/38/71/677673871.db2.gz UUMQMJXLZHVZIT-CYBMUJFWSA-N 1 0 381.523 2.656 20 0 GFADRO C[C@@H](Sc1nc2ccccc2s1)C(=O)NC1(CCO)CC[NH+](C)CC1 ZINC000781061740 677674519 /nfs/dbraw/zinc/67/45/19/677674519.db2.gz YZYZOPCDQSABJR-CYBMUJFWSA-N 1 0 379.551 2.740 20 0 GFADRO CC(C)[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccc(Cl)s2)C[C@@H]1n1ccnn1 ZINC001070259387 677675988 /nfs/dbraw/zinc/67/59/88/677675988.db2.gz MVIYDFBJNWMBCN-SYQHCUMBSA-N 1 0 379.917 2.547 20 0 GFADRO Cc1ccc(-c2cc(C(F)(F)N3CCN4CC[NH2+]C[C@H]4C3)c(Cl)nn2)cc1 ZINC001164399829 718844090 /nfs/dbraw/zinc/84/40/90/718844090.db2.gz HJCVBPADMBTJSX-HNNXBMFYSA-N 1 0 393.869 2.744 20 0 GFADRO Fc1ccccc1-c1cc(C(F)(F)N2CCN3CC[NH2+]C[C@H]3C2)c(Cl)nn1 ZINC001164399693 718844098 /nfs/dbraw/zinc/84/40/98/718844098.db2.gz DQGXLRXUQHMBSJ-LBPRGKRZSA-N 1 0 397.832 2.575 20 0 GFADRO Cc1cccc(-c2cc(C(F)(F)N3C[C@H]4C[NH2+]C[C@@]4(CO)C3)c(Cl)nn2)c1 ZINC001164401585 718854793 /nfs/dbraw/zinc/85/47/93/718854793.db2.gz CBYOHWFMDVRUQG-KDOFPFPSSA-N 1 0 394.853 2.668 20 0 GFADRO O=C1Nc2ccccc2[C@H]2CN(c3cccc(OCC[NH+]4CCCC4)n3)C[C@@H]12 ZINC001164402195 718857753 /nfs/dbraw/zinc/85/77/53/718857753.db2.gz JHXCLAYHKYNBBB-QZTJIDSGSA-N 1 0 378.476 2.728 20 0 GFADRO CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN([C@H](F)c1ccnc(Cl)c1)C2 ZINC001164434809 718969106 /nfs/dbraw/zinc/96/91/06/718969106.db2.gz VSUDHSWGVWXEEO-NWANDNLSSA-N 1 0 395.784 2.720 20 0 GFADRO CCOC(=O)c1ccnc(N2CCC([NH+]3CCC(C(=O)OCC)CC3)CC2)c1 ZINC001164613922 719022230 /nfs/dbraw/zinc/02/22/30/719022230.db2.gz JUMXVZRIEJLYBL-UHFFFAOYSA-N 1 0 389.496 2.502 20 0 GFADRO CCOC(=O)C1CC[NH+](C2CCN(c3cncc(N(CC)CC)n3)CC2)CC1 ZINC001164617907 719029236 /nfs/dbraw/zinc/02/92/36/719029236.db2.gz RHVBXQQRRSGFBI-UHFFFAOYSA-N 1 0 389.544 2.567 20 0 GFADRO CCOC(=O)C1CC[NH+](C2CCN(c3ncc(OC)cc3Cl)CC2)CC1 ZINC001164618397 719029586 /nfs/dbraw/zinc/02/95/86/719029586.db2.gz VYSZYFPJFTZXBB-UHFFFAOYSA-N 1 0 381.904 2.988 20 0 GFADRO O=C1CSc2ncnc(N3CCC[C@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)c2N1 ZINC001164626835 719111581 /nfs/dbraw/zinc/11/15/81/719111581.db2.gz IZEPBYGRDFDWGE-HOTGVXAUSA-N 1 0 381.505 2.622 20 0 GFADRO COC(=O)c1ccc(C(F)(F)N2C[C@H](CF)[C@@H](C3([NH3+])CC3)C2)nc1Cl ZINC001164631603 719116978 /nfs/dbraw/zinc/11/69/78/719116978.db2.gz YRILKHGAIAILIN-ONGXEEELSA-N 1 0 377.794 2.580 20 0 GFADRO COC(=O)c1ccc(NC(=O)C(C)(C)C)c(N2CC[NH+](CC(C)C)CC2)n1 ZINC001164657605 719335684 /nfs/dbraw/zinc/33/56/84/719335684.db2.gz ULETZEDVESNMBR-UHFFFAOYSA-N 1 0 376.501 2.631 20 0 GFADRO CCn1nnc2c1[C@H](COC)CN(c1ccc([C@H]3CCCC[N@@H+]3CC)cn1)C2 ZINC001164662397 719362020 /nfs/dbraw/zinc/36/20/20/719362020.db2.gz BSJSIMATELKSOW-PKOBYXMFSA-N 1 0 384.528 2.990 20 0 GFADRO COc1ccc(-c2csc3ncnc(N4C[C@@H]5OCC[N@H+](C)[C@H]5C4)c23)cc1 ZINC000329910459 719434504 /nfs/dbraw/zinc/43/45/04/719434504.db2.gz NHKPXQJOKHYXBS-IRXDYDNUSA-N 1 0 382.489 2.886 20 0 GFADRO COC(=O)c1ccc2nc(-n3nc(CN(C)C(C)C)c4c3C[NH2+]CC4)ccc2c1 ZINC001164681513 719619220 /nfs/dbraw/zinc/61/92/20/719619220.db2.gz GUBMFGKWTCXXPF-UHFFFAOYSA-N 1 0 393.491 2.693 20 0 GFADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1ncnc3sc(C(C)C)cc31)CC2 ZINC001164681941 719698503 /nfs/dbraw/zinc/69/85/03/719698503.db2.gz ALRKBXMSLCGEDB-UHFFFAOYSA-N 1 0 387.553 2.996 20 0 GFADRO c1csc(C[N@@H+]2CCOC3(CCN(c4ccc(-n5ccnc5)nn4)CC3)C2)c1 ZINC001164697550 719895638 /nfs/dbraw/zinc/89/56/38/719895638.db2.gz KUXKPLUDGOOKGS-UHFFFAOYSA-N 1 0 396.520 2.595 20 0 GFADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@H]3COC[C@@]3(c3nc(C)no3)C2)nc1 ZINC001164799662 720061970 /nfs/dbraw/zinc/06/19/70/720061970.db2.gz BGZHRHLGMTXBDN-UEXGIBASSA-N 1 0 383.496 2.724 20 0 GFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1ccc(Cl)nn1)C2 ZINC001164806399 720085784 /nfs/dbraw/zinc/08/57/84/720085784.db2.gz CBBAGLZDWCUNLD-WMLDXEAASA-N 1 0 386.874 2.860 20 0 GFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(C)cc(C)c1C(=O)OC)C2 ZINC001164811626 720112459 /nfs/dbraw/zinc/11/24/59/720112459.db2.gz NAGYNQAAFVGYAV-GCJKJVERSA-N 1 0 387.524 2.670 20 0 GFADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncc(F)c(C)n1)CC2 ZINC001164719104 720115491 /nfs/dbraw/zinc/11/54/91/720115491.db2.gz WCHHXIOHIJKBIX-GOSISDBHSA-N 1 0 385.487 2.827 20 0 GFADRO CCc1ccc(N2CCC3(C[C@H](COC)[N@H+](Cc4ccccn4)C3)CC2)nn1 ZINC001164713996 720129158 /nfs/dbraw/zinc/12/91/58/720129158.db2.gz UTTQJWJIKXLCKX-HXUWFJFHSA-N 1 0 381.524 2.942 20 0 GFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc3ccc(Cl)nc3[nH]1)C2 ZINC001164819469 720152030 /nfs/dbraw/zinc/15/20/30/720152030.db2.gz XGVJJWVAMNEYEU-AUUYWEPGSA-N 1 0 375.904 2.796 20 0 GFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cc(N3CCC[C@H](C)C3)ncn1)C2 ZINC001164815621 720186042 /nfs/dbraw/zinc/18/60/42/720186042.db2.gz IPOXIRDOAKTCNP-GREBRCKQSA-N 1 0 399.583 2.898 20 0 GFADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1nnc(Cl)cc1Cl)CCC2 ZINC001164815322 720212693 /nfs/dbraw/zinc/21/26/93/720212693.db2.gz ZCJLANNYQUEYPZ-UHFFFAOYSA-N 1 0 397.310 2.591 20 0 GFADRO CN(C)C(=O)COC[C@@H]1CC[C@H]2[C@@H](CC[N@@H+]2C(C)(C)c2ccnc(Cl)c2)O1 ZINC001164724933 720325038 /nfs/dbraw/zinc/32/50/38/720325038.db2.gz LTLDHTVJNVQXOV-YESZJQIVSA-N 1 0 395.931 2.697 20 0 GFADRO Cc1cc2ncnc(N3CC[C@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)c2s1 ZINC001164829017 720332542 /nfs/dbraw/zinc/33/25/42/720332542.db2.gz LHAJMZSUVFLGDP-ROUUACIJSA-N 1 0 399.564 2.911 20 0 GFADRO CCc1c(Cl)ncnc1N1CC[C@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164829936 720343282 /nfs/dbraw/zinc/34/32/82/720343282.db2.gz UKHZQGVDIALEDJ-SJORKVTESA-N 1 0 391.947 2.604 20 0 GFADRO c1cncc(C[N@@H+]2CC[C@@H]3[C@H]2CCN3c2ncnc3cc4c(cc32)OCCO4)c1 ZINC001164725629 720349103 /nfs/dbraw/zinc/34/91/03/720349103.db2.gz OMPTZJZAOJLGRJ-RTBURBONSA-N 1 0 389.459 2.649 20 0 GFADRO CC(C)(C)C(=O)Nc1ccc(N2CC[C@@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)nn1 ZINC001164723762 720382285 /nfs/dbraw/zinc/38/22/85/720382285.db2.gz HFWWXQHYBWIBOK-IAGOWNOFSA-N 1 0 380.496 2.709 20 0 GFADRO Fc1cccc(-c2ncnc(N3CC[C@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)n2)c1 ZINC001164730149 720452603 /nfs/dbraw/zinc/45/26/03/720452603.db2.gz IAYRZFDLWYQPKF-RBUKOAKNSA-N 1 0 376.439 2.926 20 0 GFADRO COC(=O)C[C@@H](c1ccnc(N2Cc3nccn3C[C@@H](C[NH+](C)C)C2)c1)C1CC1 ZINC001164734542 720522779 /nfs/dbraw/zinc/52/27/79/720522779.db2.gz PZUWCUFDVMRIKC-VQIMIIECSA-N 1 0 397.523 2.533 20 0 GFADRO CC(C)[N@H+]1[C@@H]2CCN(c3cc(OCC4CC4)ncn3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164834572 720560232 /nfs/dbraw/zinc/56/02/32/720560232.db2.gz DYYHPOUDGDWSNU-HSALFYBXSA-N 1 0 396.539 2.840 20 0 GFADRO F[C@H](Oc1ccc(Cl)nc1)N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001164727070 720564677 /nfs/dbraw/zinc/56/46/77/720564677.db2.gz AYPLMVSKMYZBPQ-SFHVURJKSA-N 1 0 379.867 2.718 20 0 GFADRO CSc1nc(Cl)ncc1N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001164728685 720566140 /nfs/dbraw/zinc/56/61/40/720566140.db2.gz KUGOJGGAPUEXIK-UHFFFAOYSA-N 1 0 378.933 2.707 20 0 GFADRO COc1ccc2nc(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)c(C)cc2c1 ZINC001164740939 720607453 /nfs/dbraw/zinc/60/74/53/720607453.db2.gz KRKPFCFZJQYQIC-PKOBYXMFSA-N 1 0 391.475 2.684 20 0 GFADRO CC(C)[N@H+]1[C@@H]2CCN(c3nnc4ccccc4n3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164841539 720616002 /nfs/dbraw/zinc/61/60/02/720616002.db2.gz SQTZCOYYCWQRJD-ABSDTBQOSA-N 1 0 377.496 2.599 20 0 GFADRO CC(C)[N@H+]1[C@@H]2CCN(c3ncc(C(F)F)cn3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164839515 720636125 /nfs/dbraw/zinc/63/61/25/720636125.db2.gz NXAZJBCDPMETGH-HYVNUMGLSA-N 1 0 376.455 2.989 20 0 GFADRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1cc(Cl)nc(N)n1)CC2 ZINC001164842591 720655425 /nfs/dbraw/zinc/65/54/25/720655425.db2.gz SEASQWCZYFBVRA-INIZCTEOSA-N 1 0 387.915 2.972 20 0 GFADRO Cc1nc(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)c(Cl)cc1Cl ZINC001164737779 720745068 /nfs/dbraw/zinc/74/50/68/720745068.db2.gz CRMFAXHUDZBEAK-QWHCGFSZSA-N 1 0 380.279 2.829 20 0 GFADRO Cc1c(Cl)cnc(Cl)c1N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164742186 720745218 /nfs/dbraw/zinc/74/52/18/720745218.db2.gz NPUNOPSQBSZLFR-OLZOCXBDSA-N 1 0 380.279 2.829 20 0 GFADRO Cc1ccc(-c2ccc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)nn2)cc1 ZINC001164739923 720756886 /nfs/dbraw/zinc/75/68/86/720756886.db2.gz JTWCXRLQDKBPRU-OALUTQOASA-N 1 0 388.475 2.584 20 0 GFADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@H](NC(=O)C3CCC3)[C@H]3COC[C@H]32)nc1 ZINC001164845871 720804490 /nfs/dbraw/zinc/80/44/90/720804490.db2.gz HKNSHZYMCOVGLU-PLACYPQZSA-N 1 0 398.551 2.748 20 0 GFADRO c1ncn(C[C@@H]2C[C@@H]3CN(c4ccc5ncccc5n4)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164739816 720824917 /nfs/dbraw/zinc/82/49/17/720824917.db2.gz IWMSGYJHVMAUTA-LVCYWYKZSA-N 1 0 389.507 2.601 20 0 GFADRO c1ncn(C[C@H]2C[C@H]3CN(c4nccc5scnc54)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164741238 720832116 /nfs/dbraw/zinc/83/21/16/720832116.db2.gz MQOVIHPSWPGLOO-GVDBMIGSSA-N 1 0 395.536 2.662 20 0 GFADRO CSCc1ccnc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c1 ZINC001164749434 720855322 /nfs/dbraw/zinc/85/53/22/720855322.db2.gz NFDKDUSXAJYNFS-HSALFYBXSA-N 1 0 398.580 2.916 20 0 GFADRO COCC[N@@H+]1CCO[C@@H]2CN(C(F)(F)c3cc(C)cc(Cl)n3)CC[C@H]2C1 ZINC001164862186 720861806 /nfs/dbraw/zinc/86/18/06/720861806.db2.gz ZKEZMIUJPLSURX-LSDHHAIUSA-N 1 0 389.874 2.762 20 0 GFADRO CCc1nc(Cl)c(N2CC[C@@H]3C[N@H+](CCOC)CCO[C@H]3C2)c(Cl)n1 ZINC001164852824 720879948 /nfs/dbraw/zinc/87/99/48/720879948.db2.gz AAARSAGQVMCKNB-OLZOCXBDSA-N 1 0 389.327 2.519 20 0 GFADRO Cc1ccnnc1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164755738 720880222 /nfs/dbraw/zinc/88/02/22/720880222.db2.gz YMIYOEJVDSDLPD-GMAHTHKFSA-N 1 0 393.535 2.935 20 0 GFADRO COCC[N@@H+]1CCO[C@@H]2CN(c3nc(C(F)F)nc4ccccc43)CC[C@@H]2C1 ZINC001164862300 720880719 /nfs/dbraw/zinc/88/07/19/720880719.db2.gz RNJHRNOKKQCAAR-RHSMWYFYSA-N 1 0 392.450 2.741 20 0 GFADRO CC[C@H](C)c1nc2[nH]ccc2c(N2CC[C@H]3C[N@H+](CCOC)CCO[C@@H]3C2)n1 ZINC001164855856 720893028 /nfs/dbraw/zinc/89/30/28/720893028.db2.gz CTCKKWKZYKNSHN-XYJFISCASA-N 1 0 387.528 2.645 20 0 GFADRO CCOC(=O)Cc1ccnc(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@H]2C)c1 ZINC001164863762 721020107 /nfs/dbraw/zinc/02/01/07/721020107.db2.gz UYTLLZUZTXPCEZ-MRXNPFEDSA-N 1 0 385.512 2.805 20 0 GFADRO FC(F)(c1nccc(Cl)n1)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164867374 721055559 /nfs/dbraw/zinc/05/55/59/721055559.db2.gz IPMQQWUYCBJADQ-LSDHHAIUSA-N 1 0 395.841 2.550 20 0 GFADRO Fc1ccc2c(c1)ncnc2N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164871428 721056451 /nfs/dbraw/zinc/05/64/51/721056451.db2.gz YSLBCHRWQRLBKK-ROUUACIJSA-N 1 0 379.439 2.644 20 0 GFADRO Clc1nnc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)c2cnccc12 ZINC001164869941 721057383 /nfs/dbraw/zinc/05/73/83/721057383.db2.gz UQLSRXNNPMMDIB-JKSUJKDBSA-N 1 0 396.882 2.553 20 0 GFADRO Cc1sc2ncnc(N3C[C@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@@H]4C3)c2c1C ZINC001164764347 721085432 /nfs/dbraw/zinc/08/54/32/721085432.db2.gz HGPIGWOUJCOZSR-IAGOWNOFSA-N 1 0 382.537 3.000 20 0 GFADRO Clc1nnc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)c2ncccc12 ZINC001164867497 721089918 /nfs/dbraw/zinc/08/99/18/721089918.db2.gz YNMGDSQOGCTJCB-HZPDHXFCSA-N 1 0 396.882 2.553 20 0 GFADRO COc1ccc2c(ccnc2N2C[C@@H]3C[N@@H+](Cc4cnn(C)c4)CC[C@@H]3C2)c1 ZINC001164761674 721095401 /nfs/dbraw/zinc/09/54/01/721095401.db2.gz CMWGITVRYRYXSB-MOPGFXCFSA-N 1 0 377.492 2.935 20 0 GFADRO COc1nc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)nc2ccccc21 ZINC001164865170 721100820 /nfs/dbraw/zinc/10/08/20/721100820.db2.gz JJNXETZVLKEZGD-MSOLQXFVSA-N 1 0 391.475 2.513 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(C(F)(F)Oc4cccc(Cl)n4)C[C@@H]3C2)cn1 ZINC001164769397 721103615 /nfs/dbraw/zinc/10/36/15/721103615.db2.gz OPEVPUWINDZJAF-GJZGRUSLSA-N 1 0 397.857 2.852 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN([C@H](F)Oc4cccc(Cl)n4)C[C@H]3C2)cn1 ZINC001164766488 721133249 /nfs/dbraw/zinc/13/32/49/721133249.db2.gz LRBQUNUFWYCXOK-RKVPGOIHSA-N 1 0 379.867 2.554 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4ccc(-c5cccc(F)c5)nn4)C[C@H]3C2)cn1 ZINC001164761203 721216182 /nfs/dbraw/zinc/21/61/82/721216182.db2.gz ADYLYNFPOFZKAW-RBUKOAKNSA-N 1 0 392.482 2.975 20 0 GFADRO CCN1C(=O)[C@]2(CC[C@H]3CN(c4ccc(C[N@H+](C)C5CC5)cn4)C[C@H]32)N=C1C ZINC001164872524 721233004 /nfs/dbraw/zinc/23/30/04/721233004.db2.gz MBZPTRHSRSWCGA-LRXVAGHRSA-N 1 0 381.524 2.541 20 0 GFADRO Cc1cc2ncnc(N3C[C@@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@@H]4C3)c2cc1C ZINC001164767865 721233131 /nfs/dbraw/zinc/23/31/31/721233131.db2.gz WQGKWHLBKQWBLX-RBUKOAKNSA-N 1 0 376.508 2.938 20 0 GFADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4ncnc5c(F)cccc54)C3)O2)CC1 ZINC001164886638 721405794 /nfs/dbraw/zinc/40/57/94/721405794.db2.gz KIHOIUOGTBLTEU-JTSKRJEESA-N 1 0 399.514 2.534 20 0 GFADRO CSc1cccc(N2CC[C@@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)n1 ZINC001164898895 721431738 /nfs/dbraw/zinc/43/17/38/721431738.db2.gz XPYCJIVZWQMOLU-FXAWDEMLSA-N 1 0 376.570 2.569 20 0 GFADRO Cn1cnc2c1[C@@H](COCc1cccnc1)N(c1cc(C[NH+](C)C)ccn1)CC2 ZINC001164781968 721442265 /nfs/dbraw/zinc/44/22/65/721442265.db2.gz HTIVSOBRSBTNMK-HXUWFJFHSA-N 1 0 392.507 2.592 20 0 GFADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncc(F)c(C)n1)CC2 ZINC001164786651 721458539 /nfs/dbraw/zinc/45/85/39/721458539.db2.gz OUVGWYFMZKXQEI-SFHVURJKSA-N 1 0 392.519 2.658 20 0 GFADRO CC(C)(c1ccnc(Cl)c1)[N@@H+]1CC[C@@H]2OCC[C@@H](C(=O)N3CCCO3)[C@@H]2C1 ZINC001164790846 721483769 /nfs/dbraw/zinc/48/37/69/721483769.db2.gz GVRHJHKTJCMPIA-IKGGRYGDSA-N 1 0 393.915 2.861 20 0 GFADRO CCN(CC)c1cncc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)n1 ZINC001164903468 721544975 /nfs/dbraw/zinc/54/49/75/721544975.db2.gz CWOYBWJJGMBALB-HKUYNNGSSA-N 1 0 385.487 2.804 20 0 GFADRO COc1ncc(Cl)c(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)n1 ZINC001164908641 721563039 /nfs/dbraw/zinc/56/30/39/721563039.db2.gz RITZMQUUOFCVHE-HIFRSBDPSA-N 1 0 378.835 2.620 20 0 GFADRO CCN(CC)c1cc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)ncn1 ZINC001164808812 721567215 /nfs/dbraw/zinc/56/72/15/721567215.db2.gz VSCTZYSBFGCLEP-XQBPLPMBSA-N 1 0 396.539 2.586 20 0 GFADRO CN(C)c1cncc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)n1 ZINC001164903580 721586159 /nfs/dbraw/zinc/58/61/59/721586159.db2.gz ALBCEDGKSPDODM-IBGZPJMESA-N 1 0 388.466 2.675 20 0 GFADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cnc3c(n2)CCCC3)[C@H]2CCCO[C@H]12 ZINC001164811422 721588012 /nfs/dbraw/zinc/58/80/12/721588012.db2.gz XNBPZFOCLMRXKR-VWPQPMDRSA-N 1 0 379.508 2.619 20 0 GFADRO COc1ncnc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)c1C ZINC001164908504 721701063 /nfs/dbraw/zinc/70/10/63/721701063.db2.gz ZONJTQXJONBSJN-LJQANCHMSA-N 1 0 389.450 2.926 20 0 GFADRO C[N@H+](Cc1ccc(N2CC[C@@]3(C[C@@H](Oc4cccnc4)CO3)C2)nc1)C1CC1 ZINC001164917398 721807325 /nfs/dbraw/zinc/80/73/25/721807325.db2.gz WGFNWGXCQHRCHQ-IFMALSPDSA-N 1 0 380.492 2.888 20 0 GFADRO Cc1ccnc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)c1C(N)=O ZINC001165021576 721809636 /nfs/dbraw/zinc/80/96/36/721809636.db2.gz DOLUZONWKUUKDQ-YTQUADARSA-N 1 0 379.508 2.621 20 0 GFADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nccc4c3NC(=O)CO4)C[C@H]21 ZINC001165024916 721813524 /nfs/dbraw/zinc/81/35/24/721813524.db2.gz LGSISWKMCGFVRW-KBAYOESNSA-N 1 0 393.491 2.544 20 0 GFADRO Cc1ccc(C(N)=O)c(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)n1 ZINC001165024720 721822620 /nfs/dbraw/zinc/82/26/20/721822620.db2.gz KZGCVYTZFLLWGI-PWIZWCRZSA-N 1 0 379.508 2.621 20 0 GFADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2nccnc2N(C)C)CC1 ZINC001165021337 721840427 /nfs/dbraw/zinc/84/04/27/721840427.db2.gz LOUSMLPDWGAECI-UHFFFAOYSA-N 1 0 385.512 2.661 20 0 GFADRO COc1cc2c(cc1Cl)ncnc2N1CC[C@H]2[C@H]1CC[N@@H+]2CCN(C)C ZINC001164927969 721864799 /nfs/dbraw/zinc/86/47/99/721864799.db2.gz XQBCTWFUPQROPJ-DLBZAZTESA-N 1 0 375.904 2.506 20 0 GFADRO CN(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCN2c1ncnc2c1ccn2Cc1ccccc1 ZINC001164923102 721867205 /nfs/dbraw/zinc/86/72/05/721867205.db2.gz ICRIJXWQHNJRQJ-SFTDATJTSA-N 1 0 390.535 2.694 20 0 GFADRO Fc1ccc(Cn2ccc3c2ncnc3N2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC001165039878 721911435 /nfs/dbraw/zinc/91/14/35/721911435.db2.gz WICZFMCNAOEYBH-LJQANCHMSA-N 1 0 395.482 2.920 20 0 GFADRO CCOC(=O)/C=C\c1cccnc1N1CC[NH+](CCOc2ccccc2)CC1 ZINC001165042825 721952686 /nfs/dbraw/zinc/95/26/86/721952686.db2.gz SBCCINMREZXULJ-KHPPLWFESA-N 1 0 381.476 2.859 20 0 GFADRO COC(=O)c1ccc2c(c1)ncnc2N1CC[NH+](CCOc2ccccc2)CC1 ZINC001165042671 721953210 /nfs/dbraw/zinc/95/32/10/721953210.db2.gz PPTCOWNXMCMYOL-UHFFFAOYSA-N 1 0 392.459 2.617 20 0 GFADRO CCOC(=O)[C@H]1CCc2nnc(N3CCCC[C@H]3CC[NH+]3CCCC3)cc2C1 ZINC001165049857 721979123 /nfs/dbraw/zinc/97/91/23/721979123.db2.gz NCUBPRLYDCNPDT-HKUYNNGSSA-N 1 0 386.540 2.989 20 0 GFADRO CC(C)OC(=O)c1ccc(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)nn1 ZINC001164953672 722014369 /nfs/dbraw/zinc/01/43/69/722014369.db2.gz WZKZRKUGCMCPTG-UHFFFAOYSA-N 1 0 395.507 2.929 20 0 GFADRO COC(=O)c1cc(OC)cnc1N1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001164952464 722016021 /nfs/dbraw/zinc/01/60/21/722016021.db2.gz LCSDEEWXBREBLK-UHFFFAOYSA-N 1 0 396.491 2.764 20 0 GFADRO COc1ccccc1-c1cc(N2CC[NH+](CCc3ccccn3)CC2)ncn1 ZINC001165055280 722018398 /nfs/dbraw/zinc/01/83/98/722018398.db2.gz OLHQIROHNOPLMN-UHFFFAOYSA-N 1 0 375.476 2.912 20 0 GFADRO c1cn(-c2ccc(N3CCC4(CC[N@@H+](Cc5cccnc5)C4)CC3)nn2)cn1 ZINC001164955657 722019317 /nfs/dbraw/zinc/01/93/17/722019317.db2.gz MGMATJKWUGAZNE-UHFFFAOYSA-N 1 0 375.480 2.550 20 0 GFADRO Cc1cc2ncnc(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)c2[nH]1 ZINC001164963980 722057208 /nfs/dbraw/zinc/05/72/08/722057208.db2.gz QFWGILIIXQDUBF-UHFFFAOYSA-N 1 0 392.507 2.780 20 0 GFADRO Cc1nc(C)c(C)c(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)n1 ZINC001164963314 722060868 /nfs/dbraw/zinc/06/08/68/722060868.db2.gz WNVKQMZLTLOEDX-UHFFFAOYSA-N 1 0 381.524 2.916 20 0 GFADRO CN(C)C(=O)N[C@H]1c2ccccc2[C@H]2CN(c3cc(C[NH+](C)C)ccn3)C[C@@H]12 ZINC001164976332 722098202 /nfs/dbraw/zinc/09/82/02/722098202.db2.gz CPRFTPXAMSFURZ-SBHAEUEKSA-N 1 0 379.508 2.689 20 0 GFADRO c1cc2c(ncnc2N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)s1 ZINC001164981336 722099308 /nfs/dbraw/zinc/09/93/08/722099308.db2.gz LBNAOUUWPNVRNW-WMZOPIPTSA-N 1 0 381.505 2.814 20 0 GFADRO Clc1cnc(Cl)nc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164976338 722102229 /nfs/dbraw/zinc/10/22/29/722102229.db2.gz CQHZUGBEWPLFQP-GDBMZVCRSA-N 1 0 394.306 2.906 20 0 GFADRO CCc1ncnc(Cl)c1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164983874 722103919 /nfs/dbraw/zinc/10/39/19/722103919.db2.gz QVLDRQALFSGGOZ-FUHWJXTLSA-N 1 0 387.915 2.815 20 0 GFADRO COc1cc(Cl)nc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001164979749 722112227 /nfs/dbraw/zinc/11/22/27/722112227.db2.gz PRMJVSKRKUUILE-FUHWJXTLSA-N 1 0 388.899 2.866 20 0 GFADRO Clc1cc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c2[nH]cnc2n1 ZINC001164971035 722112791 /nfs/dbraw/zinc/11/27/91/722112791.db2.gz BCNMQPGIJCJXIZ-WBVHZDCISA-N 1 0 398.898 2.734 20 0 GFADRO Fc1cnc(Cl)cc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164979112 722113482 /nfs/dbraw/zinc/11/34/82/722113482.db2.gz OZQUMHGUCBEKCT-MAUKXSAKSA-N 1 0 376.863 2.996 20 0 GFADRO Fc1cnc(Cl)cc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164979111 722113727 /nfs/dbraw/zinc/11/37/27/722113727.db2.gz OZQUMHGUCBEKCT-CRAIPNDOSA-N 1 0 376.863 2.996 20 0 GFADRO Nc1cc(F)c(Cl)nc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164981475 722133489 /nfs/dbraw/zinc/13/34/89/722133489.db2.gz OVGBYOAKGGUHHG-YOEHRIQHSA-N 1 0 391.878 2.579 20 0 GFADRO CC(C)COc1cncc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164984614 722143615 /nfs/dbraw/zinc/14/36/15/722143615.db2.gz XTBARFHNGNUSML-WOJBJXKFSA-N 1 0 397.523 2.634 20 0 GFADRO CCSc1cncc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164978932 722146211 /nfs/dbraw/zinc/14/62/11/722146211.db2.gz LBVJGSYIYPUVOV-ROUUACIJSA-N 1 0 385.537 2.711 20 0 GFADRO COC(=O)c1cc(N2CCC[C@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)ncc1N ZINC001164992814 722196624 /nfs/dbraw/zinc/19/66/24/722196624.db2.gz AZQJUWOPLHNSSN-NRFANRHFSA-N 1 0 384.455 2.834 20 0 GFADRO NC(=O)c1ncc(Cl)nc1N1CCC[C@@]2(CC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001164993622 722197329 /nfs/dbraw/zinc/19/73/29/722197329.db2.gz FTGHBPKXXCGCET-LJQANCHMSA-N 1 0 389.862 2.613 20 0 GFADRO CCN(CC)c1ccnc([C@H]2COCCN2c2ccc(C[N@H+](C)C3CC3)cn2)n1 ZINC001165000895 722227701 /nfs/dbraw/zinc/22/77/01/722227701.db2.gz VQRLVRCECXLONS-LJQANCHMSA-N 1 0 396.539 2.890 20 0 GFADRO Cc1nc2ccsc2c(N2CCCn3cnc(COCC[NH+](C)C)c3C2)n1 ZINC001165001217 722250459 /nfs/dbraw/zinc/25/04/59/722250459.db2.gz OUFBQHPPWDBDQJ-UHFFFAOYSA-N 1 0 386.525 2.685 20 0 GFADRO C[NH+](C)CCOCc1ncn2c1CN(C(F)(F)c1cccnc1Cl)CCC2 ZINC001165000696 722250493 /nfs/dbraw/zinc/25/04/93/722250493.db2.gz JKHUDASXBBIWQK-UHFFFAOYSA-N 1 0 399.873 2.965 20 0 GFADRO Cc1nnc(N2CCC([NH2+][C@@H](CN3CCCC3=O)c3ccccc3)CC2)s1 ZINC000359997239 212132363 /nfs/dbraw/zinc/13/23/63/212132363.db2.gz UBFDBHOBWUALPF-SFHVURJKSA-N 1 0 385.537 2.769 20 0 GFADRO CC(C)OC(=O)c1ccc(C[NH+]2CCC(CC(=O)N3CCOCC3)CC2)cc1 ZINC000359979954 212129040 /nfs/dbraw/zinc/12/90/40/212129040.db2.gz VXKRZMGFJMYGAR-UHFFFAOYSA-N 1 0 388.508 2.713 20 0 GFADRO CC[C@H](C)c1ccccc1OCC(=O)N1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000359960715 212127427 /nfs/dbraw/zinc/12/74/27/212127427.db2.gz PPHPVTLASCWTAW-QFBILLFUSA-N 1 0 387.524 2.520 20 0 GFADRO O=C(NC1CC[NH+](CCc2ccncc2)CC1)c1cccnc1N1CCCC1 ZINC000359957053 212127240 /nfs/dbraw/zinc/12/72/40/212127240.db2.gz NHHHXYGDDXQDEI-UHFFFAOYSA-N 1 0 379.508 2.514 20 0 GFADRO Cc1nn(C)c(C)c1[C@@H](NC(=O)N1CCC[C@@H]1C[NH+]1CCCC1)C(F)(F)F ZINC000359864806 212119935 /nfs/dbraw/zinc/11/99/35/212119935.db2.gz DRDWEBGXZVQYOX-GDBMZVCRSA-N 1 0 387.450 2.910 20 0 GFADRO C[C@H]([NH2+][C@H]1CCCN(S(C)(=O)=O)C1)c1ccc(F)cc1Br ZINC000400162972 563534140 /nfs/dbraw/zinc/53/41/40/563534140.db2.gz HJWNFAVKKVZESE-JQWIXIFHSA-N 1 0 379.295 2.663 20 0 GFADRO [NH3+]C[C@@H](NC(=O)c1cc(Br)sc1Br)C(F)(F)F ZINC000401871165 563535347 /nfs/dbraw/zinc/53/53/47/563535347.db2.gz KTGXFMABMKDIGQ-SCSAIBSYSA-N 1 0 396.026 2.893 20 0 GFADRO C[C@@H](CNc1ccc(S(=O)(=O)N2CCCCC2)cn1)[N@@H+]1CCC[C@@H](C)C1 ZINC000071954233 222199532 /nfs/dbraw/zinc/19/95/32/222199532.db2.gz DSKYLNHBPUPDIR-SJORKVTESA-N 1 0 380.558 2.789 20 0 GFADRO O=C(NCc1ccc(F)cc1)C1CCN(C(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC000077929137 222290442 /nfs/dbraw/zinc/29/04/42/222290442.db2.gz FNYHXCMPISETES-UHFFFAOYSA-N 1 0 380.423 2.642 20 0 GFADRO COc1cc(Br)cc(S(=O)(=O)N[C@@H]2CCC[N@@H+](C(C)C)C2)c1 ZINC000331223552 563541573 /nfs/dbraw/zinc/54/15/73/563541573.db2.gz LTOYQOJJLKHXJT-CYBMUJFWSA-N 1 0 391.331 2.609 20 0 GFADRO Cc1cc(I)ccc1NC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000414673898 563749083 /nfs/dbraw/zinc/74/90/83/563749083.db2.gz DATHUJHRRIJFKC-CYBMUJFWSA-N 1 0 385.249 2.958 20 0 GFADRO C[NH+](C)Cc1ccccc1CNS(=O)(=O)c1ccc(Br)cc1 ZINC000015360850 551111185 /nfs/dbraw/zinc/11/11/85/551111185.db2.gz WHEANZMTHGWPGO-UHFFFAOYSA-N 1 0 383.311 2.989 20 0 GFADRO CNC(=O)c1ccc(C[NH2+]C[C@H](O)COc2ccc(Cl)cc2Cl)cc1 ZINC000028920209 551125334 /nfs/dbraw/zinc/12/53/34/551125334.db2.gz OSUYILLRQWVTNA-HNNXBMFYSA-N 1 0 383.275 2.883 20 0 GFADRO CCOc1c(Br)cc(C[NH2+]CC(=O)NCc2ccco2)cc1OC ZINC000030642128 551128690 /nfs/dbraw/zinc/12/86/90/551128690.db2.gz DFUIVDXYUYJUST-UHFFFAOYSA-N 1 0 397.269 2.855 20 0 GFADRO C[C@@H](C[NH+]1CCCCC1)NS(=O)(=O)c1ccc(F)cc1Br ZINC000040446152 551134724 /nfs/dbraw/zinc/13/47/24/551134724.db2.gz HUTUZJKOIWQDNX-NSHDSACASA-N 1 0 379.295 2.741 20 0 GFADRO C[C@H](CNS(=O)(=O)c1ccc(Br)cc1)C[NH+]1CCCCC1 ZINC000040446434 551134880 /nfs/dbraw/zinc/13/48/80/551134880.db2.gz BBZHNLFLYMTSKO-CYBMUJFWSA-N 1 0 375.332 2.849 20 0 GFADRO CC[NH+]1CCN(CCNC(=O)CCCOc2ccc(Cl)cc2Cl)CC1 ZINC000042590283 551139563 /nfs/dbraw/zinc/13/95/63/551139563.db2.gz FFNCYDWDYPUDGS-UHFFFAOYSA-N 1 0 388.339 2.906 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)NC[C@H]1CCN(CC(F)(F)F)C1)c1cccs1 ZINC000043143726 551141230 /nfs/dbraw/zinc/14/12/30/551141230.db2.gz MNDXGEAQPOBKCG-CHWSQXEVSA-N 1 0 378.464 2.534 20 0 GFADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)N(C)Cc2ccc(Br)cc2)C1 ZINC000043822127 551142665 /nfs/dbraw/zinc/14/26/65/551142665.db2.gz CWJHUFQCHFCLPT-KRWDZBQOSA-N 1 0 398.345 2.947 20 0 GFADRO O=C(c1ccc(I)cc1)N1CC[NH+](C2CCCC2)CC1 ZINC000045083720 551145658 /nfs/dbraw/zinc/14/56/58/551145658.db2.gz NKKABRYHDZYOFD-UHFFFAOYSA-N 1 0 384.261 2.992 20 0 GFADRO CCOc1c(Br)cc(C(=O)NC[C@@H](C2CC2)[NH+](C)C)cc1OC ZINC000047921625 551154024 /nfs/dbraw/zinc/15/40/24/551154024.db2.gz SDFHTLKDPZJJCU-AWEZNQCLSA-N 1 0 385.302 2.926 20 0 GFADRO C[C@H](CNC(=O)[C@H]1C[C@@H]1c1cccc(Br)c1)C[NH+]1CCN(C)CC1 ZINC000049993508 551159878 /nfs/dbraw/zinc/15/98/78/551159878.db2.gz KXSKRIZTFQVGTD-OLMNPRSZSA-N 1 0 394.357 2.552 20 0 GFADRO CC[NH+](CC)CCCNC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000057465153 551180471 /nfs/dbraw/zinc/18/04/71/551180471.db2.gz MJWJVHQOMISBFJ-UHFFFAOYSA-N 1 0 388.343 2.952 20 0 GFADRO CC[NH+]1CCN(c2ccc(CNC(=O)c3ccc(Br)o3)cn2)CC1 ZINC000057675730 551181459 /nfs/dbraw/zinc/18/14/59/551181459.db2.gz MJZLGMMHNINSHV-UHFFFAOYSA-N 1 0 393.285 2.509 20 0 GFADRO CC[N@H+](C)CCNc1cnn(-c2ccc(C(F)(F)F)cn2)c(=O)c1Cl ZINC000066373494 551186746 /nfs/dbraw/zinc/18/67/46/551186746.db2.gz UFSXGEHRQTXORE-UHFFFAOYSA-N 1 0 375.782 2.663 20 0 GFADRO CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccc(C)cc2Br)C1 ZINC000067393814 551188341 /nfs/dbraw/zinc/18/83/41/551188341.db2.gz UUWWPYIMLUZPGQ-CYBMUJFWSA-N 1 0 382.302 2.544 20 0 GFADRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)Nc1cccc(Br)c1 ZINC000067439534 551188701 /nfs/dbraw/zinc/18/87/01/551188701.db2.gz MHXQHKXBQJNXPA-MGPQQGTHSA-N 1 0 396.329 2.870 20 0 GFADRO O[C@@H](C[NH2+]Cc1ccc(Br)s1)COc1ccc2c(c1)OCO2 ZINC000067975939 551190955 /nfs/dbraw/zinc/19/09/55/551190955.db2.gz TVEXXOOIWUFCTC-JTQLQIEISA-N 1 0 386.267 2.769 20 0 GFADRO C[C@H](c1ccccc1Br)N(C)C(=O)N[C@@H](C)CN1CC[NH+](C)CC1 ZINC000106583356 551200475 /nfs/dbraw/zinc/20/04/75/551200475.db2.gz BLVQSDUWMZEZQH-LSDHHAIUSA-N 1 0 397.361 2.787 20 0 GFADRO Brc1cc2c(cc1CN1CCC[C@@H](C[NH+]3CCOCC3)C1)OCO2 ZINC000112201288 551204924 /nfs/dbraw/zinc/20/49/24/551204924.db2.gz JIVGSUPRFOTPGV-AWEZNQCLSA-N 1 0 397.313 2.722 20 0 GFADRO O=C(NCC1CC[NH+](CCO)CC1)N[C@H]1CCc2c1ccc(Cl)c2Cl ZINC000113620532 551208257 /nfs/dbraw/zinc/20/82/57/551208257.db2.gz JSCMUNOEUSMSFF-INIZCTEOSA-N 1 0 386.323 2.984 20 0 GFADRO CCCC[N@H+](C)CCNC(=O)c1ccc(OC)cc1I ZINC000120980427 551224298 /nfs/dbraw/zinc/22/42/98/551224298.db2.gz CVCJPQFIAIWKHV-UHFFFAOYSA-N 1 0 390.265 2.762 20 0 GFADRO Cc1cccc(NC(=O)C(=O)NC[C@@H](C)C[NH+]2CCCCC2)c1Br ZINC000120978646 551224396 /nfs/dbraw/zinc/22/43/96/551224396.db2.gz OLMFURGTPBXJBI-CYBMUJFWSA-N 1 0 396.329 2.934 20 0 GFADRO C[N@H+](Cc1csc(-c2ccccc2F)n1)C1CCN(S(C)(=O)=O)CC1 ZINC000121332769 551232099 /nfs/dbraw/zinc/23/20/99/551232099.db2.gz XVWHXLCWOINWSM-UHFFFAOYSA-N 1 0 383.514 2.805 20 0 GFADRO C[C@@H](CNC(=O)CCOc1cccc(Cl)c1Cl)C[NH+]1CCN(C)CC1 ZINC000121741706 551241360 /nfs/dbraw/zinc/24/13/60/551241360.db2.gz PHHWBMHYQSBEDP-AWEZNQCLSA-N 1 0 388.339 2.762 20 0 GFADRO COC1CC[NH+](CCNC(=O)Nc2cc(F)c(Br)cc2F)CC1 ZINC000121936337 551293164 /nfs/dbraw/zinc/29/31/64/551293164.db2.gz QSMFUQSAXQHYIU-UHFFFAOYSA-N 1 0 392.244 2.960 20 0 GFADRO O=S(=O)(NCC[NH2+]Cc1ccc(Br)cc1F)c1cccs1 ZINC000122256463 551296771 /nfs/dbraw/zinc/29/67/71/551296771.db2.gz YKKHCDFLSGYCKX-UHFFFAOYSA-N 1 0 393.303 2.718 20 0 GFADRO CC[NH+]1CCC(N(C)S(=O)(=O)c2cc(Br)sc2C)CC1 ZINC000122358577 551297394 /nfs/dbraw/zinc/29/73/94/551297394.db2.gz OMYFGACZOIARAO-UHFFFAOYSA-N 1 0 381.361 2.924 20 0 GFADRO CC[NH+](CC)[C@H](C)CNC(=O)Nc1cc(Br)cnc1-n1cccn1 ZINC000122526817 551299179 /nfs/dbraw/zinc/29/91/79/551299179.db2.gz ALOQDJOEGKHVLP-GFCCVEGCSA-N 1 0 395.305 2.882 20 0 GFADRO C[C@@H]1C[C@@H](N(C)C(=O)Cc2cc3c(cc2Br)OCCO3)CC[N@@H+]1C ZINC000123110443 551303121 /nfs/dbraw/zinc/30/31/21/551303121.db2.gz PQIYLXLJPWQNIG-OCCSQVGLSA-N 1 0 397.313 2.704 20 0 GFADRO C[C@@H]1C[C@@H](NS(=O)(=O)Cc2ccc(OC(F)(F)F)cc2)C[N@@H+]1C1CC1 ZINC000124117461 551310709 /nfs/dbraw/zinc/31/07/09/551310709.db2.gz PXICMDUSMGROMI-DGCLKSJQSA-N 1 0 378.416 2.630 20 0 GFADRO C[C@H]1C[N@@H+](C2CCN(C[C@H](O)c3cccc(Br)c3)CC2)CCO1 ZINC000124116039 551311044 /nfs/dbraw/zinc/31/10/44/551311044.db2.gz ASGUUBCJYMQQEP-KSSFIOAISA-N 1 0 383.330 2.668 20 0 GFADRO CN(CC[NH+]1CCCC1)C(=O)C(=O)Nc1cc(Cl)ccc1Br ZINC000124299378 551312982 /nfs/dbraw/zinc/31/29/82/551312982.db2.gz OAPLQTVYWXVMPA-UHFFFAOYSA-N 1 0 388.693 2.595 20 0 GFADRO Cc1cc(Br)cc(C(=O)NC[C@H](C(C)C)[NH+]2CCN(C)CC2)c1 ZINC000124387023 551313891 /nfs/dbraw/zinc/31/38/91/551313891.db2.gz IHRCXMKGZKJWFJ-QGZVFWFLSA-N 1 0 382.346 2.759 20 0 GFADRO O=C([C@@H]1CCC[N@H+](Cc2cnc(-c3cccs3)s2)C1)N1CCOCC1 ZINC000124491355 551315249 /nfs/dbraw/zinc/31/52/49/551315249.db2.gz TUOGZGKOEHOCPD-CQSZACIVSA-N 1 0 377.535 2.942 20 0 GFADRO CC(C)([NH3+])CNS(=O)(=O)c1csc(-c2ccc(Br)cc2)n1 ZINC000124711523 551316997 /nfs/dbraw/zinc/31/69/97/551316997.db2.gz YGQFYCPSTTVQPI-UHFFFAOYSA-N 1 0 390.328 2.588 20 0 GFADRO CS(=O)(=O)NCC[NH+]1CCC(COc2cc(Cl)cc(Cl)c2)CC1 ZINC000125664360 551322610 /nfs/dbraw/zinc/32/26/10/551322610.db2.gz CMRIBWPEOIJIJA-UHFFFAOYSA-N 1 0 381.325 2.633 20 0 GFADRO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@@H](C(N)=O)c1ccccc1 ZINC000126123052 551326593 /nfs/dbraw/zinc/32/65/93/551326593.db2.gz LQMMVDDPBONWJC-SJKOYZFVSA-N 1 0 390.281 2.982 20 0 GFADRO C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@@H](C(N)=O)c1ccccc1 ZINC000126122850 551326630 /nfs/dbraw/zinc/32/66/30/551326630.db2.gz LQMMVDDPBONWJC-YVEFUNNKSA-N 1 0 390.281 2.982 20 0 GFADRO O=C(N[C@@H]1CC[NH2+]C1)c1cccnc1Oc1ccc(F)cc1Br ZINC000127026949 551336193 /nfs/dbraw/zinc/33/61/93/551336193.db2.gz FWQYBLXWBOJVGF-LLVKDONJSA-N 1 0 380.217 2.867 20 0 GFADRO C[C@@](O)(CNC(=O)NC1CC[NH+](Cc2ccsc2)CC1)c1ccsc1 ZINC000127108479 551336691 /nfs/dbraw/zinc/33/66/91/551336691.db2.gz RXSCEDBPCGEWMR-GOSISDBHSA-N 1 0 379.551 2.981 20 0 GFADRO C[C@@H]([NH2+]C[C@H]1CCN(S(C)(=O)=O)C1)c1ccc(Br)cc1F ZINC000128190850 551347362 /nfs/dbraw/zinc/34/73/62/551347362.db2.gz VVNSNNKHGHTYRE-GHMZBOCLSA-N 1 0 379.295 2.520 20 0 GFADRO Cc1nc(NC(=O)NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)ccc1Br ZINC000128558169 551350496 /nfs/dbraw/zinc/35/04/96/551350496.db2.gz MDVKSTCRWXPQKW-TXEJJXNPSA-N 1 0 385.306 2.773 20 0 GFADRO C[C@H](C(=O)Nc1cc(Cl)ccc1Cl)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000129346942 551356366 /nfs/dbraw/zinc/35/63/66/551356366.db2.gz PTADPGXHKOCEHB-ZIAGYGMSSA-N 1 0 386.323 2.975 20 0 GFADRO C[C@@H]([NH2+]Cc1nc(-c2ccc(Br)cc2)c[nH]1)[C@H]1CN(C)CCO1 ZINC000129416847 551357217 /nfs/dbraw/zinc/35/72/17/551357217.db2.gz INQABIQODYNLGR-MLGOLLRUSA-N 1 0 379.302 2.648 20 0 GFADRO C[NH+](C)CCCOc1ccc(NC(=O)c2cc(S(C)(=O)=O)cs2)cc1 ZINC000130050114 551361251 /nfs/dbraw/zinc/36/12/51/551361251.db2.gz GBRGUTVDTCLRFQ-UHFFFAOYSA-N 1 0 382.507 2.734 20 0 GFADRO O=C(CCc1nc(-c2cc(Br)cs2)no1)NC[C@H]1CCCC[NH2+]1 ZINC000130346403 551363725 /nfs/dbraw/zinc/36/37/25/551363725.db2.gz NURHWZSHPKFPPQ-LLVKDONJSA-N 1 0 399.314 2.752 20 0 GFADRO Cn1c(C[NH2+]C[C@H](O)COc2ccccc2Br)nc2ccccc21 ZINC000131027882 551371329 /nfs/dbraw/zinc/37/13/29/551371329.db2.gz FGDGRTMTSSLBDZ-ZDUSSCGKSA-N 1 0 390.281 2.865 20 0 GFADRO C[NH2+][C@H]1CCCN(C(=O)c2cc(C)n(-c3ccc(Br)cc3)n2)C1 ZINC000134055635 551384610 /nfs/dbraw/zinc/38/46/10/551384610.db2.gz HJSRBHZKQFDKLP-AWEZNQCLSA-N 1 0 377.286 2.767 20 0 GFADRO CC(C)(C)[N@@H+](Cc1ccccc1Br)C[C@@H](O)CN1CCOCC1 ZINC000134865280 551386266 /nfs/dbraw/zinc/38/62/66/551386266.db2.gz UDDIGVHVPHIAOQ-INIZCTEOSA-N 1 0 385.346 2.743 20 0 GFADRO COCC[NH+]1CCC(NC(=O)c2cc3ccc(Br)cc3[nH]2)CC1 ZINC000138597154 551391499 /nfs/dbraw/zinc/39/14/99/551391499.db2.gz OHVGGHDGVQSFEH-UHFFFAOYSA-N 1 0 380.286 2.771 20 0 GFADRO O=C(CSc1cccc[n+]1[O-])NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000140047708 551392625 /nfs/dbraw/zinc/39/26/25/551392625.db2.gz CMBFGZOSLBNBOB-OAHLLOKOSA-N 1 0 377.535 2.502 20 0 GFADRO C[C@@H](NC(=O)NC[C@@H]1CCC[N@@H+]1C)c1cc2c(cc1Br)OCCO2 ZINC000139764568 551392662 /nfs/dbraw/zinc/39/26/62/551392662.db2.gz DTTAKNCHFBRWOA-NEPJUHHUSA-N 1 0 398.301 2.675 20 0 GFADRO CN1CC[NH+](CC2CCN(C(=O)Nc3ccccc3Br)CC2)CC1 ZINC000140683154 551393142 /nfs/dbraw/zinc/39/31/42/551393142.db2.gz OKFKOOLRMITNCH-UHFFFAOYSA-N 1 0 395.345 2.940 20 0 GFADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)Cc2cccc(I)c2)C1 ZINC000150797056 551401647 /nfs/dbraw/zinc/40/16/47/551401647.db2.gz CREQFIYPVXSDSH-AWEZNQCLSA-N 1 0 386.277 2.634 20 0 GFADRO O[C@@H](COc1c(Cl)cccc1Cl)CN1CCN(c2cc[nH+]cc2)CC1 ZINC000151109457 551407407 /nfs/dbraw/zinc/40/74/07/551407407.db2.gz MVYPBJAISZVGKA-OAHLLOKOSA-N 1 0 382.291 2.950 20 0 GFADRO Cc1ccc(-n2nc(Br)cc2C(=O)NC2CC[NH+](C)CC2)cc1 ZINC000151572758 551416467 /nfs/dbraw/zinc/41/64/67/551416467.db2.gz HZKCFAJUUHJXBF-UHFFFAOYSA-N 1 0 377.286 2.767 20 0 GFADRO Cc1ccc(Br)cc1S(=O)(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000151607489 551417697 /nfs/dbraw/zinc/41/76/97/551417697.db2.gz MAUOXDTZXQBVNM-CQSZACIVSA-N 1 0 387.343 2.864 20 0 GFADRO O=S(=O)(Cc1ccccc1C(F)(F)F)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000151613984 551418199 /nfs/dbraw/zinc/41/81/99/551418199.db2.gz WDSHQKTWRYCBCB-CQSZACIVSA-N 1 0 376.444 2.953 20 0 GFADRO Cc1c(C(=O)N(CC[NH+](C)C)C(C)C)nnn1-c1cccc(Br)c1 ZINC000151807325 551421354 /nfs/dbraw/zinc/42/13/54/551421354.db2.gz SQOPFIRRESDIPF-UHFFFAOYSA-N 1 0 394.317 2.750 20 0 GFADRO CNC(=O)CN1CCC([NH2+][C@@H]2CCSc3ccc(Br)cc32)CC1 ZINC000151996461 551424439 /nfs/dbraw/zinc/42/44/39/551424439.db2.gz KZLHWEVZDXCGKF-OAHLLOKOSA-N 1 0 398.370 2.786 20 0 GFADRO C[C@@H](NC(=O)Cc1ccccc1I)C(C)(C)C[NH+](C)C ZINC000152471133 551433746 /nfs/dbraw/zinc/43/37/46/551433746.db2.gz SXTGNUAZNMPLSF-GFCCVEGCSA-N 1 0 388.293 2.926 20 0 GFADRO O=C(NCC[C@H]1CCC[NH2+]C1)c1ccc(-n2cc(Br)cn2)cc1 ZINC000152642930 551437376 /nfs/dbraw/zinc/43/73/76/551437376.db2.gz IBTANYJCRASSLS-CYBMUJFWSA-N 1 0 377.286 2.754 20 0 GFADRO C[C@H](O)C[C@H]1CCCN1CC(=O)Nc1c(F)cc(F)cc1Br ZINC000152759236 551439234 /nfs/dbraw/zinc/43/92/34/551439234.db2.gz VJQUMQNNWDWJGV-GXSJLCMTSA-N 1 0 377.229 2.901 20 0 GFADRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2S(=O)(=O)c2sccc2Br)C1 ZINC000152858056 551440997 /nfs/dbraw/zinc/44/09/97/551440997.db2.gz KDTJPAOVFYCPDN-ZYHUDNBSSA-N 1 0 379.345 2.615 20 0 GFADRO C[C@@H]([NH2+]CCOc1ccc(S(C)(=O)=O)cc1)c1ccc([S@@](C)=O)cc1 ZINC000153119041 551446901 /nfs/dbraw/zinc/44/69/01/551446901.db2.gz KNJJLMFDRCYKAK-SHACYNPGSA-N 1 0 381.519 2.557 20 0 GFADRO C[C@H](C[NH2+][C@@H](C)CC(=O)Nc1ccc(Br)cc1)CN1CCOCC1 ZINC000153308070 551449886 /nfs/dbraw/zinc/44/98/86/551449886.db2.gz RXSANJROWLXRKP-CABCVRRESA-N 1 0 398.345 2.724 20 0 GFADRO C[N@H+](CC(=O)N1CCN(Cc2c(F)cccc2Cl)CC1)[C@@H]1CCSC1 ZINC000153338224 551450431 /nfs/dbraw/zinc/45/04/31/551450431.db2.gz PGXPJEBMPXEQMF-CQSZACIVSA-N 1 0 385.936 2.561 20 0 GFADRO Cc1c(I)cccc1C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000153393161 551451680 /nfs/dbraw/zinc/45/16/80/551451680.db2.gz MMSNWIWTPROTGM-CYBMUJFWSA-N 1 0 384.261 2.910 20 0 GFADRO CC[C@@H](C)[N@H+](C)CCNC(=O)c1c(F)cccc1I ZINC000153411775 551452095 /nfs/dbraw/zinc/45/20/95/551452095.db2.gz OVQDDYFYDYETMD-SNVBAGLBSA-N 1 0 378.229 2.890 20 0 GFADRO O=C(N[C@H]1CC[N@H+](CC2CC2)C1)c1ccc(F)c(I)c1 ZINC000153433711 551452922 /nfs/dbraw/zinc/45/29/22/551452922.db2.gz FJIIFCILEGXPSO-LBPRGKRZSA-N 1 0 388.224 2.644 20 0 GFADRO C[NH+](C)C1CCN(C(=O)c2ccc(F)c(I)c2)CC1 ZINC000153528309 551454722 /nfs/dbraw/zinc/45/47/22/551454722.db2.gz ZOABSCCWRPWMOD-UHFFFAOYSA-N 1 0 376.213 2.597 20 0 GFADRO CSC[C@](C)(O)C[NH2+][C@H](C)CC(=O)Nc1ccc(Br)cc1 ZINC000153668865 551457851 /nfs/dbraw/zinc/45/78/51/551457851.db2.gz JILJIFMCYUVCNP-IAQYHMDHSA-N 1 0 375.332 2.870 20 0 GFADRO CN(C(=O)CCNC(=O)Nc1ccc(Br)cc1)[C@@H]1CCC[N@H+](C)C1 ZINC000153702834 551459071 /nfs/dbraw/zinc/45/90/71/551459071.db2.gz WURCTSFYUNUCIL-OAHLLOKOSA-N 1 0 397.317 2.513 20 0 GFADRO Cc1c(C(=O)N2CC[C@H]([NH3+])C[C@@H]2C)cnn1-c1ccc(Br)cc1 ZINC000154087429 551467387 /nfs/dbraw/zinc/46/73/87/551467387.db2.gz QTOZNFMJXUQXPP-FZMZJTMJSA-N 1 0 377.286 2.895 20 0 GFADRO Cc1c(C(=O)N2CC[C@@H]([NH3+])C[C@H]2C)cnn1-c1ccc(Br)cc1 ZINC000154087823 551467609 /nfs/dbraw/zinc/46/76/09/551467609.db2.gz QTOZNFMJXUQXPP-BXUZGUMPSA-N 1 0 377.286 2.895 20 0 GFADRO C[C@@](O)(CNC(=O)NC1CC[NH+](Cc2ccsc2)CC1)c1cccs1 ZINC000154327400 551472627 /nfs/dbraw/zinc/47/26/27/551472627.db2.gz HINUGPSLKAUAAT-GOSISDBHSA-N 1 0 379.551 2.981 20 0 GFADRO CS[C@H](CO)[C@@H](C)[NH2+][C@H](C)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000154345157 551472923 /nfs/dbraw/zinc/47/29/23/551472923.db2.gz LGQIQBXYUTUBJW-IIDMSEBBSA-N 1 0 386.583 2.624 20 0 GFADRO C[N@@H+]1CC[C@H](CNC(=O)c2ccc(Br)cc2Br)C1 ZINC000154356044 551473422 /nfs/dbraw/zinc/47/34/22/551473422.db2.gz PNRGYPUWGURAQZ-SECBINFHSA-N 1 0 376.092 2.893 20 0 GFADRO O=C(NCc1cc(F)ccc1Br)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC000154786808 551482678 /nfs/dbraw/zinc/48/26/78/551482678.db2.gz HJFAUEKYENFMHG-MRXNPFEDSA-N 1 0 385.277 2.848 20 0 GFADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2ccncc2Br)[C@H](C)C1 ZINC000155090106 551491378 /nfs/dbraw/zinc/49/13/78/551491378.db2.gz BGKJJPGIOFLEBY-CJNGLKHVSA-N 1 0 384.318 2.711 20 0 GFADRO [NH3+][C@@H]1CC[C@H](C(=O)NCC2(c3ccc(Br)cc3)CCOCC2)C1 ZINC000155146544 551492678 /nfs/dbraw/zinc/49/26/78/551492678.db2.gz KDIQXEMPJWBCEF-XJKSGUPXSA-N 1 0 381.314 2.741 20 0 GFADRO C[N@H+](CC(=O)NCC1(c2ccccc2Cl)CCOCC1)[C@H]1CCSC1 ZINC000155645248 551504867 /nfs/dbraw/zinc/50/48/67/551504867.db2.gz AAEILKWIQDWREA-HNNXBMFYSA-N 1 0 382.957 2.942 20 0 GFADRO Cc1cccc(S(=O)(=O)CCC[NH2+][C@H](C[S@@](C)=O)c2ccccc2)c1 ZINC000155814553 551508100 /nfs/dbraw/zinc/50/81/00/551508100.db2.gz FPOKIJBDZLPWLI-DVECYGJZSA-N 1 0 379.547 2.868 20 0 GFADRO C[C@H](CNC(=O)c1c[nH]c2cccc(Br)c12)C[NH+]1CCN(C)CC1 ZINC000155873354 551509934 /nfs/dbraw/zinc/50/99/34/551509934.db2.gz GOMHHDPIDDTYHY-CYBMUJFWSA-N 1 0 393.329 2.544 20 0 GFADRO C[C@@H](CCNC(=O)CNC(=O)c1ccc(Br)cc1)[NH+]1CCCCC1 ZINC000155955345 551511618 /nfs/dbraw/zinc/51/16/18/551511618.db2.gz KBZKCFKFJHCEJC-AWEZNQCLSA-N 1 0 396.329 2.560 20 0 GFADRO Cn1cc(NC(=O)NCc2ccc(C[NH+](C)C)cc2)cc(Br)c1=O ZINC000156262137 551518732 /nfs/dbraw/zinc/51/87/32/551518732.db2.gz KBURUNBOKYXGIW-UHFFFAOYSA-N 1 0 393.285 2.531 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)c2cnc(Sc3nccn3C)c(Cl)c2)C1 ZINC000156342313 551520607 /nfs/dbraw/zinc/52/06/07/551520607.db2.gz QIQTYNKWJLDUOX-NWDGAFQWSA-N 1 0 379.917 2.819 20 0 GFADRO C[N@H+](CC(=O)NCCOc1ncc(C(F)(F)F)cc1Cl)[C@H]1CCSC1 ZINC000156354721 551521171 /nfs/dbraw/zinc/52/11/71/551521171.db2.gz NIGZYBJPANOXTF-NSHDSACASA-N 1 0 397.850 2.686 20 0 GFADRO CCS(=O)(=O)N(C)CCC[NH2+][C@H]1CCc2ccc(OC(F)(F)F)cc21 ZINC000156923657 551530635 /nfs/dbraw/zinc/53/06/35/551530635.db2.gz VCSXFCNLVSAXKB-HNNXBMFYSA-N 1 0 380.432 2.834 20 0 GFADRO C[C@H]([NH2+]C[C@](C)(O)c1cccs1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000156933788 551530812 /nfs/dbraw/zinc/53/08/12/551530812.db2.gz AFSBZIIDLCYYFP-KSSFIOAISA-N 1 0 380.535 2.846 20 0 GFADRO C[NH+](C)CCN(Cc1cccc(O)c1)C(=O)c1cncc(Br)c1 ZINC000157302499 551536482 /nfs/dbraw/zinc/53/64/82/551536482.db2.gz ODRVJKHBWZTCID-UHFFFAOYSA-N 1 0 378.270 2.754 20 0 GFADRO COC(=O)c1sccc1S(=O)(=O)N1CCC[C@@H]([NH+]2CCCCCC2)C1 ZINC000157368821 551537094 /nfs/dbraw/zinc/53/70/94/551537094.db2.gz IIOGNKTZBPFKMB-CQSZACIVSA-N 1 0 386.539 2.564 20 0 GFADRO Cc1cc(NC(=O)[C@@H](C)N(C)CCNC(=O)C(C)C)ccc1Br ZINC000157640320 551540564 /nfs/dbraw/zinc/54/05/64/551540564.db2.gz PUEHDJRPTIDNHI-CYBMUJFWSA-N 1 0 384.318 2.789 20 0 GFADRO C[C@@H](CCn1cccn1)[NH2+]CCCNC(=O)c1cccc(Br)c1 ZINC000157705502 551541786 /nfs/dbraw/zinc/54/17/86/551541786.db2.gz ZPXMBUWPHIIRKU-AWEZNQCLSA-N 1 0 379.302 2.834 20 0 GFADRO Brc1cccc(C2([NH2+]CCCN3CCOCC3)CCOCC2)c1 ZINC000157781039 551542799 /nfs/dbraw/zinc/54/27/99/551542799.db2.gz PPZUQBBYBAFFEX-UHFFFAOYSA-N 1 0 383.330 2.767 20 0 GFADRO [NH3+]C[C@H]1CCC[C@@H]1NC(=O)CCC[S@@](=O)c1ccc(Br)cc1 ZINC000158006570 551546196 /nfs/dbraw/zinc/54/61/96/551546196.db2.gz ZNDXXOGITLURBF-PVSQZPHNSA-N 1 0 387.343 2.581 20 0 GFADRO COc1ccc(Cl)cc1NC(=O)CC[NH2+]C1CCN(CC(F)F)CC1 ZINC000158096471 551546729 /nfs/dbraw/zinc/54/67/29/551546729.db2.gz ANGQMEVVJFJSBP-UHFFFAOYSA-N 1 0 375.847 2.996 20 0 GFADRO C[N@@H+]1CCCN(C(=O)Nc2ccnn2Cc2ccc(Br)cc2)CC1 ZINC000158297140 551550167 /nfs/dbraw/zinc/55/01/67/551550167.db2.gz YBJQKJKFXBOPQT-UHFFFAOYSA-N 1 0 392.301 2.863 20 0 GFADRO COC(=O)c1cc(Cl)ccc1S(=O)(=O)NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000158722858 551555594 /nfs/dbraw/zinc/55/55/94/551555594.db2.gz YPKBNBIHUSPTNA-OLZOCXBDSA-N 1 0 388.917 2.525 20 0 GFADRO C[C@H]([NH2+]C[C@](C)(O)c1ccsc1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000159960959 551573704 /nfs/dbraw/zinc/57/37/04/551573704.db2.gz CMAIWWDDRYLQOK-KSSFIOAISA-N 1 0 380.535 2.846 20 0 GFADRO O=S(=O)(Cc1c(Cl)cccc1Cl)NCCCC[N@H+]1CCC[C@H]1CO ZINC000161700141 551597719 /nfs/dbraw/zinc/59/77/19/551597719.db2.gz MIZSTIGWWLQGKF-ZDUSSCGKSA-N 1 0 395.352 2.650 20 0 GFADRO CCc1nc2c(s1)[C@@H]([NH2+]CCNS(=O)(=O)c1ccc(C)cc1)CCC2 ZINC000161904545 551600387 /nfs/dbraw/zinc/60/03/87/551600387.db2.gz KLPXUFYEBCBVMM-HNNXBMFYSA-N 1 0 379.551 2.959 20 0 GFADRO Cc1cc(I)ccc1NC(=O)C[NH2+][C@@H](CCO)C(C)C ZINC000161977213 551601876 /nfs/dbraw/zinc/60/18/76/551601876.db2.gz SLVSVEVHBRDGSI-ZDUSSCGKSA-N 1 0 390.265 2.535 20 0 GFADRO NC(=O)[C@H](N[C@H]1CC[N@H+](CC2CCCC2)C1)c1cccc(Br)c1 ZINC000162188897 551604682 /nfs/dbraw/zinc/60/46/82/551604682.db2.gz GBGRWLYKIZHZGV-DLBZAZTESA-N 1 0 380.330 2.830 20 0 GFADRO NC(=O)[C@H]([NH2+]C[C@H]1CC(=O)Nc2ccccc21)c1cccc(Br)c1 ZINC000162230378 551605335 /nfs/dbraw/zinc/60/53/35/551605335.db2.gz YMXSOIIVBDUHJJ-SJKOYZFVSA-N 1 0 388.265 2.691 20 0 GFADRO NC(=O)[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)c1cccc(Br)c1 ZINC000162307082 551606666 /nfs/dbraw/zinc/60/66/66/551606666.db2.gz JTRSJUPMBBOSMM-JJXSEGSLSA-N 1 0 379.298 2.913 20 0 GFADRO C[C@@H]([NH2+]CCNS(=O)(=O)Cc1ccon1)c1ccc(Cl)cc1Cl ZINC000162384673 551607816 /nfs/dbraw/zinc/60/78/16/551607816.db2.gz HUBRWUFAOYBKRP-SNVBAGLBSA-N 1 0 378.281 2.752 20 0 GFADRO CC[C@H](C)[N@H+](C)CCNC(=O)N(C)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000162800372 551613275 /nfs/dbraw/zinc/61/32/75/551613275.db2.gz QKYLOHAVHDYXGW-SWLSCSKDSA-N 1 0 387.933 2.540 20 0 GFADRO CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)NC[C@H]1CSCCS1 ZINC000163281711 551618432 /nfs/dbraw/zinc/61/84/32/551618432.db2.gz ONTYBSCSQDMBHP-KRWDZBQOSA-N 1 0 380.583 2.788 20 0 GFADRO O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000164930608 551627774 /nfs/dbraw/zinc/62/77/74/551627774.db2.gz HVGUNXKVKMUDJV-SJCJKPOMSA-N 1 0 387.307 2.644 20 0 GFADRO O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000164930939 551627840 /nfs/dbraw/zinc/62/78/40/551627840.db2.gz HVGUNXKVKMUDJV-SJKOYZFVSA-N 1 0 387.307 2.644 20 0 GFADRO CC[C@@H]([NH2+][C@@H](C)c1ccc(OC)c(Br)c1)C(=O)N1CCOCC1 ZINC000165017087 551628217 /nfs/dbraw/zinc/62/82/17/551628217.db2.gz AFXRYQRPFWMMBQ-SWLSCSKDSA-N 1 0 385.302 2.746 20 0 GFADRO Cc1cc(N2CCC[C@H]([NH2+]Cc3cncnc3)C2=O)ccc1Br ZINC000167186116 551633119 /nfs/dbraw/zinc/63/31/19/551633119.db2.gz GADDYRVOJIZARP-INIZCTEOSA-N 1 0 375.270 2.833 20 0 GFADRO [NH3+][C@@H](Cc1ccccc1)C(=O)N[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000167450838 551633503 /nfs/dbraw/zinc/63/35/03/551633503.db2.gz KRYWWCREDIZOHQ-WMZOPIPTSA-N 1 0 388.309 2.714 20 0 GFADRO COC(=O)CSCCC(=O)NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000170694358 551637609 /nfs/dbraw/zinc/63/76/09/551637609.db2.gz XFJJREVXKXOMJP-HNNXBMFYSA-N 1 0 384.567 2.934 20 0 GFADRO C[C@@H]1C[N@@H+](CC2CCN(C(=O)c3ccc(Br)cn3)CC2)C[C@H](C)O1 ZINC000170763559 551639075 /nfs/dbraw/zinc/63/90/75/551639075.db2.gz GQRUZUPJVVRNPP-OKILXGFUSA-N 1 0 396.329 2.806 20 0 GFADRO COCCC[NH+]1CCC(NC(=O)NCc2sccc2Br)CC1 ZINC000171203517 551649877 /nfs/dbraw/zinc/64/98/77/551649877.db2.gz UWHMAIGXPZUCTL-UHFFFAOYSA-N 1 0 390.347 2.811 20 0 GFADRO C[C@@H](CNS(=O)(=O)c1cc2c(cc1Cl)OCCO2)C[NH+]1CCCCC1 ZINC000171242315 551650958 /nfs/dbraw/zinc/65/09/58/551650958.db2.gz IFMXENWICPSQHY-ZDUSSCGKSA-N 1 0 388.917 2.512 20 0 GFADRO COc1ccc(Br)cc1[C@@H]1CCC[N@@H+]1C[C@H](O)Cn1cccn1 ZINC000171345878 551653318 /nfs/dbraw/zinc/65/33/18/551653318.db2.gz ZWVXUISJDAOVMX-HOCLYGCPSA-N 1 0 380.286 2.852 20 0 GFADRO OCC[N@@H+](Cc1cc(Br)ccc1F)C[C@H](O)Cc1ccccc1 ZINC000171384112 551654498 /nfs/dbraw/zinc/65/44/98/551654498.db2.gz MSQLGTGNJOJAMT-QGZVFWFLSA-N 1 0 382.273 2.986 20 0 GFADRO COCC[NH+]1CCC(NC(=O)[C@H](C)Oc2cc(Cl)cc(Cl)c2)CC1 ZINC000171398261 551654596 /nfs/dbraw/zinc/65/45/96/551654596.db2.gz ITMRVQAYOKPEDJ-LBPRGKRZSA-N 1 0 375.296 2.988 20 0 GFADRO CCn1cc(Br)cc1C(=O)N1CCN(c2cc(OC)cc[nH+]2)CC1 ZINC000171564648 551658056 /nfs/dbraw/zinc/65/80/56/551658056.db2.gz VNTUPBQADGVLSE-UHFFFAOYSA-N 1 0 393.285 2.637 20 0 GFADRO CN1CCN(C(=O)CC[NH2+]CC2=Cc3cc(Cl)cc(Cl)c3OC2)CC1 ZINC000171764407 551662494 /nfs/dbraw/zinc/66/24/94/551662494.db2.gz ZEMZLRFJDNUCLO-UHFFFAOYSA-N 1 0 384.307 2.523 20 0 GFADRO Brc1cc(CN2CCC[C@H](C[NH+]3CCOCC3)C2)cc2c1OCO2 ZINC000171961472 551667412 /nfs/dbraw/zinc/66/74/12/551667412.db2.gz WUMXJOMTCDCESX-CQSZACIVSA-N 1 0 397.313 2.722 20 0 GFADRO O=C(NCC1([NH+]2CCSCC2)CCCC1)Nc1nc2c(s1)COCC2 ZINC000172259919 551674446 /nfs/dbraw/zinc/67/44/46/551674446.db2.gz OXLPNTRIASWCQG-UHFFFAOYSA-N 1 0 382.555 2.699 20 0 GFADRO C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000172291472 551675428 /nfs/dbraw/zinc/67/54/28/551675428.db2.gz YXRORZSPVXNYER-JTQLQIEISA-N 1 0 377.794 2.707 20 0 GFADRO C[C@@H](Oc1cc(Cl)cc(Cl)c1)C(=O)NCCC[NH+]1CCC(O)CC1 ZINC000172312628 551675977 /nfs/dbraw/zinc/67/59/77/551675977.db2.gz PZDWTWAWARRCJO-GFCCVEGCSA-N 1 0 375.296 2.724 20 0 GFADRO O=C(NCCC[NH+]1CCCC1)C(=O)Nc1ccc(C(F)(F)F)cc1Cl ZINC000172509166 551680537 /nfs/dbraw/zinc/68/05/37/551680537.db2.gz WZURFRFTIDNWHA-UHFFFAOYSA-N 1 0 377.794 2.899 20 0 GFADRO COc1c(Br)c(C)sc1C(=O)N[C@@H](C)[C@H](C)N1CCOCC1 ZINC000173084771 551694902 /nfs/dbraw/zinc/69/49/02/551694902.db2.gz DUOKOQWEIPKSES-UWVGGRQHSA-N 1 0 391.331 2.667 20 0 GFADRO Cc1ccc(S(=O)(=O)N(C)CC2CC[NH+](C)CC2)cc1Br ZINC000173117140 552078268 /nfs/dbraw/zinc/07/82/68/552078268.db2.gz LTDNMCVLNXHWIE-UHFFFAOYSA-N 1 0 375.332 2.720 20 0 GFADRO CC[NH+]1CCN(CCCNC(=O)[C@@H](C)c2ccc(Br)s2)CC1 ZINC000173474981 552086155 /nfs/dbraw/zinc/08/61/55/552086155.db2.gz LZIQMQGPORXOSO-ZDUSSCGKSA-N 1 0 388.375 2.758 20 0 GFADRO CC[NH+](CC)C[C@@H]1CCN(C(=O)C(=O)Nc2cccc(Br)c2C)C1 ZINC000173613731 552089378 /nfs/dbraw/zinc/08/93/78/552089378.db2.gz NVJXDLYOHKMFII-AWEZNQCLSA-N 1 0 396.329 2.886 20 0 GFADRO CC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2cc(Cl)c(OC)cc2Cl)C1 ZINC000174025708 552097057 /nfs/dbraw/zinc/09/70/57/552097057.db2.gz CBCSSHHLJFHRGT-NSHDSACASA-N 1 0 381.325 2.964 20 0 GFADRO C[C@@H]1CC[C@H]([NH2+]C[C@H](O)COc2ccc(I)cc2)C1 ZINC000174340886 552102900 /nfs/dbraw/zinc/10/29/00/552102900.db2.gz MSCGUBLGZJQOSU-XBFCOCLRSA-N 1 0 375.250 2.809 20 0 GFADRO C[NH+]1CCC(C(=O)Nc2cc(F)c(I)c(F)c2)CC1 ZINC000174437856 552104046 /nfs/dbraw/zinc/10/40/46/552104046.db2.gz KCWNZFUOZHYVMK-UHFFFAOYSA-N 1 0 380.176 2.850 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(=O)[nH]c2c(Br)cccc12 ZINC000175080865 552115185 /nfs/dbraw/zinc/11/51/85/552115185.db2.gz VJDQGSPXTMGHMA-LLVKDONJSA-N 1 0 378.270 2.505 20 0 GFADRO CC(=O)Nc1cc(F)c(S(=O)(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)cc1Cl ZINC000175085672 552115269 /nfs/dbraw/zinc/11/52/69/552115269.db2.gz CRUJIDCGLARLHJ-NWDGAFQWSA-N 1 0 391.896 2.589 20 0 GFADRO CC1(C)CN(C(=O)CCC[S@](=O)c2ccc(Br)cc2)CC[NH2+]1 ZINC000175436589 552121735 /nfs/dbraw/zinc/12/17/35/552121735.db2.gz SMZNWRSYFOSXCO-QFIPXVFZSA-N 1 0 387.343 2.547 20 0 GFADRO C[C@H](C[NH+]1CCCCC1)NC(=O)c1cc(=O)[nH]c2c(Br)cccc12 ZINC000175467052 552122288 /nfs/dbraw/zinc/12/22/88/552122288.db2.gz IGJVYLYRDKJAJD-GFCCVEGCSA-N 1 0 392.297 2.895 20 0 GFADRO O=C1NC[C@H]2CN(Cc3ccc(-c4ccc(Br)cc4)o3)CCN12 ZINC000175927801 552131795 /nfs/dbraw/zinc/13/17/95/552131795.db2.gz LWMXVFISXZZCNB-AWEZNQCLSA-N 1 0 376.254 2.919 20 0 GFADRO C[NH+]1CCN([C@@H]2CCCCN(C(=O)[C@H]3SCCc4sccc43)C2)CC1 ZINC000175999647 552133818 /nfs/dbraw/zinc/13/38/18/552133818.db2.gz QELUXFLBGKPIKW-QAPCUYQASA-N 1 0 379.595 2.707 20 0 GFADRO CN1CC[NH+]([C@H]2CCCCN(C(=O)Cc3cccc(Br)c3)C2)CC1 ZINC000176003937 552134295 /nfs/dbraw/zinc/13/42/95/552134295.db2.gz ZXBIXXRVKOFHRI-SFHVURJKSA-N 1 0 394.357 2.620 20 0 GFADRO COc1ccc(Br)cc1CNC(=O)N(C)[C@H]1CC[N@H+](C)C[C@H]1C ZINC000176057351 552134820 /nfs/dbraw/zinc/13/48/20/552134820.db2.gz NNDBGMLYLRDZHT-DOMZBBRYSA-N 1 0 384.318 2.939 20 0 GFADRO O=C(CSc1nc2ccccc2s1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000178070451 552163722 /nfs/dbraw/zinc/16/37/22/552163722.db2.gz ACOWYJRONRBPGC-CQSZACIVSA-N 1 0 377.535 2.569 20 0 GFADRO CC[NH+]1CCC(CCNC(=O)N[C@@H](CO)c2cccc(Br)c2)CC1 ZINC000178161426 552165692 /nfs/dbraw/zinc/16/56/92/552165692.db2.gz VZNUPTXPPPVHMR-KRWDZBQOSA-N 1 0 398.345 2.904 20 0 GFADRO C[N@H+](C[C@H](O)COc1ccc(Cl)cc1Br)C[C@H]1CCOC1 ZINC000178370084 552169538 /nfs/dbraw/zinc/16/95/38/552169538.db2.gz MTXISPORDRNIBU-YPMHNXCESA-N 1 0 378.694 2.811 20 0 GFADRO CC(C)C[C@H]([NH3+])C(=O)N[C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000178842934 552177184 /nfs/dbraw/zinc/17/71/84/552177184.db2.gz FCTWWWIZSJOBPH-YPMHNXCESA-N 1 0 378.826 2.822 20 0 GFADRO COC(=O)c1ccc(Cl)cc1S(=O)(=O)N(CC[NH+](C)C)C1CCCC1 ZINC000178854058 552177242 /nfs/dbraw/zinc/17/72/42/552177242.db2.gz RNCHDESLBYWWCM-UHFFFAOYSA-N 1 0 388.917 2.622 20 0 GFADRO C[C@H]([NH3+])C1CCN(S(=O)(=O)c2cc(Br)ccc2Cl)CC1 ZINC000178927120 552179695 /nfs/dbraw/zinc/17/96/95/552179695.db2.gz GHMIZCFGOTYILZ-VIFPVBQESA-N 1 0 381.723 2.850 20 0 GFADRO COc1ccc(Br)cc1S(=O)(=O)N[C@@]1(C[NH3+])CCCC[C@H]1C ZINC000178980437 552181317 /nfs/dbraw/zinc/18/13/17/552181317.db2.gz HDBTUCGAXZCUMO-IAQYHMDHSA-N 1 0 391.331 2.644 20 0 GFADRO COC(=O)c1cc(Br)ccc1NC(=O)N1CCC([NH+](C)C)CC1 ZINC000179210644 552186606 /nfs/dbraw/zinc/18/66/06/552186606.db2.gz KFGJTFYRYKOBAB-UHFFFAOYSA-N 1 0 384.274 2.794 20 0 GFADRO NC(=O)[C@H](NCc1ccccc1-n1cccn1)c1cccc(Br)c1 ZINC000179220055 552187449 /nfs/dbraw/zinc/18/74/49/552187449.db2.gz JKAPBFPGELNJGS-QGZVFWFLSA-N 1 0 385.265 2.951 20 0 GFADRO CCS(=O)(=O)N1CCC([NH2+][C@H](C)c2nc3ccc(Cl)cc3n2C)CC1 ZINC000180006178 552209600 /nfs/dbraw/zinc/20/96/00/552209600.db2.gz JJYWLLPMIGXTGN-GFCCVEGCSA-N 1 0 384.933 2.691 20 0 GFADRO COc1ccc([C@H]([NH2+]CCCNS(C)(=O)=O)c2ccccc2Cl)cc1 ZINC000180034733 552210163 /nfs/dbraw/zinc/21/01/63/552210163.db2.gz QIRYCTWXWMBDPF-SFHVURJKSA-N 1 0 382.913 2.967 20 0 GFADRO C[NH+](C)C1CCN(CCNC(=O)C[C@H](O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000180129168 552214296 /nfs/dbraw/zinc/21/42/96/552214296.db2.gz YISIQWJXISNSTH-KRWDZBQOSA-N 1 0 388.339 2.559 20 0 GFADRO O=S(=O)(C1CC1)N1CCC([NH2+][C@@H]2CCc3c2cccc3Br)CC1 ZINC000180188358 552216558 /nfs/dbraw/zinc/21/65/58/552216558.db2.gz HUJGQNKWEFMSCE-QGZVFWFLSA-N 1 0 399.354 2.983 20 0 GFADRO COC(=O)[C@H](O)C1CC[NH+](Cc2ccc(Br)c3cccnc23)CC1 ZINC000180277329 552220373 /nfs/dbraw/zinc/22/03/73/552220373.db2.gz OMERQRBGUFGFEF-QGZVFWFLSA-N 1 0 393.281 2.743 20 0 GFADRO COC(=O)c1ccc(C[NH2+][C@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)s1 ZINC000180533571 552229076 /nfs/dbraw/zinc/22/90/76/552229076.db2.gz CIRUXFXUDLIMEE-GFCCVEGCSA-N 1 0 382.507 2.636 20 0 GFADRO CSc1ccc([C@H](C)[NH2+]CCS(=O)(=O)NC[C@H]2CCCCO2)cc1F ZINC000180745979 552234307 /nfs/dbraw/zinc/23/43/07/552234307.db2.gz JSMNWHDLCHQFIX-DZGCQCFKSA-N 1 0 390.546 2.687 20 0 GFADRO CCSc1ccccc1[C@H](C)[NH2+]CCS(=O)(=O)NC[C@H]1CCCCO1 ZINC000180742654 552234455 /nfs/dbraw/zinc/23/44/55/552234455.db2.gz BDQORXNGTYINBV-JKSUJKDBSA-N 1 0 386.583 2.938 20 0 GFADRO CSc1ccc([C@H](C)[NH2+]CCS(=O)(=O)NC[C@@H]2CCCCO2)cc1F ZINC000180745946 552234532 /nfs/dbraw/zinc/23/45/32/552234532.db2.gz JSMNWHDLCHQFIX-ZFWWWQNUSA-N 1 0 390.546 2.687 20 0 GFADRO COc1cc(C[NH2+][C@@H]2CCCOCC2)cc(I)c1OC ZINC000181029674 552243864 /nfs/dbraw/zinc/24/38/64/552243864.db2.gz HJUWSNKBMHMDEC-GFCCVEGCSA-N 1 0 391.249 2.967 20 0 GFADRO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2cc(C(=O)OC)sc2C)cc1 ZINC000181053888 552244161 /nfs/dbraw/zinc/24/41/61/552244161.db2.gz JNBYUSDXMQMHEV-LLVKDONJSA-N 1 0 382.507 2.602 20 0 GFADRO COC(=O)C1CCN(C(=O)[C@H](C)[NH2+][C@@H](C)c2ccc(Br)cc2)CC1 ZINC000181108508 552247057 /nfs/dbraw/zinc/24/70/57/552247057.db2.gz WPPPOEWUQKWRCF-STQMWFEESA-N 1 0 397.313 2.900 20 0 GFADRO C[C@H]([NH2+]CC(=O)Nc1ccc(I)cc1)c1cccnc1 ZINC000181283602 552252582 /nfs/dbraw/zinc/25/25/82/552252582.db2.gz ZCUMRXURDMBMEA-NSHDSACASA-N 1 0 381.217 2.976 20 0 GFADRO Cc1ccc(S(=O)(=O)NCC[NH2+][C@H]2CCCOc3ccc(F)cc32)s1 ZINC000181511719 552258858 /nfs/dbraw/zinc/25/88/58/552258858.db2.gz HODQSPLZYCQNBH-HNNXBMFYSA-N 1 0 384.498 2.977 20 0 GFADRO C[C@H]([NH2+]Cc1cn(C)nc1C(F)(F)F)c1ccc(NS(C)(=O)=O)cc1 ZINC000181585061 552262029 /nfs/dbraw/zinc/26/20/29/552262029.db2.gz WRFPIAKIVXLVFC-JTQLQIEISA-N 1 0 376.404 2.661 20 0 GFADRO COc1ccc([C@@H](C)[C@@H](C)[NH2+]C[C@H](O)CS(=O)(=O)c2cccs2)cc1 ZINC000181634565 552262946 /nfs/dbraw/zinc/26/29/46/552262946.db2.gz BOCGGJLNQKMBLR-LZWOXQAQSA-N 1 0 383.535 2.673 20 0 GFADRO Cc1ccc2c(c1)[C@H]([NH2+]C[C@H](O)CS(=O)(=O)c1cccs1)CCCO2 ZINC000181640301 552263708 /nfs/dbraw/zinc/26/37/08/552263708.db2.gz BOLGIRVWCZFKSR-GOEBONIOSA-N 1 0 381.519 2.695 20 0 GFADRO C[C@H]([NH2+][C@@H](CC(N)=O)C1CCOCC1)C(=O)Nc1cccc(Cl)c1Cl ZINC000181930857 552271129 /nfs/dbraw/zinc/27/11/29/552271129.db2.gz IMKYITVLABYSKM-HZMBPMFUSA-N 1 0 388.295 2.581 20 0 GFADRO O=S(=O)(c1ccc(C(F)(F)F)nc1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000181990384 552272069 /nfs/dbraw/zinc/27/20/69/552272069.db2.gz AGOPNDOFZWVWMN-ZDUSSCGKSA-N 1 0 377.432 2.739 20 0 GFADRO CN(C)C(=O)[C@H]1CC[C@@H](C[NH2+]CC2=Cc3cc(Cl)cc(Cl)c3OC2)O1 ZINC000182036829 552273756 /nfs/dbraw/zinc/27/37/56/552273756.db2.gz YUQUXZBGAQXDOS-GOEBONIOSA-N 1 0 385.291 2.995 20 0 GFADRO CCO[C@@H]1C[C@@H]([NH2+]CCNS(=O)(=O)c2ccc(Cl)s2)C12CCC2 ZINC000182059544 552274494 /nfs/dbraw/zinc/27/44/94/552274494.db2.gz PPFFDJISECLVAO-VXGBXAGGSA-N 1 0 378.947 2.617 20 0 GFADRO CC[C@H]([NH2+]CC(=O)Nc1ccc(I)cc1)[C@@H]1CCCO1 ZINC000182351041 552281571 /nfs/dbraw/zinc/28/15/71/552281571.db2.gz UYVMOQZCNKQZBA-KBPBESRZSA-N 1 0 388.249 2.777 20 0 GFADRO COC(=O)c1cc(Cl)ccc1S(=O)(=O)NCC[C@@H](C)[NH+]1CCCCC1 ZINC000183293486 552304989 /nfs/dbraw/zinc/30/49/89/552304989.db2.gz PBMRYXOGFUCLNE-CYBMUJFWSA-N 1 0 388.917 2.669 20 0 GFADRO CS(=O)(=O)[C@H]1CCCC[C@@H]1[NH2+]CCc1nc(-c2cccc(Cl)c2)no1 ZINC000183278601 552305023 /nfs/dbraw/zinc/30/50/23/552305023.db2.gz OZVKTSDYWGJWRE-GJZGRUSLSA-N 1 0 383.901 2.878 20 0 GFADRO O=C(NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1cccc(Br)c1 ZINC000183394855 552308123 /nfs/dbraw/zinc/30/81/23/552308123.db2.gz GHUJRSLNKPNHGY-GOSISDBHSA-N 1 0 389.293 2.946 20 0 GFADRO COC(=O)c1cn(C2CC[NH+](Cc3ccc(Br)cc3C)CC2)nn1 ZINC000183741358 552318123 /nfs/dbraw/zinc/31/81/23/552318123.db2.gz PBPDDVJFVWAGLK-UHFFFAOYSA-N 1 0 393.285 2.973 20 0 GFADRO OC[C@H]([NH2+]C[C@H](O)COCc1ccccc1)c1cccc(Br)c1 ZINC000183902611 552321938 /nfs/dbraw/zinc/32/19/38/552321938.db2.gz CGQZFWDLUUCULZ-ROUUACIJSA-N 1 0 380.282 2.650 20 0 GFADRO O=S(=O)(CCC[NH2+][C@H](CO)c1cccc(Br)c1)c1ccccc1 ZINC000183894635 552322234 /nfs/dbraw/zinc/32/22/34/552322234.db2.gz HWORXJCMUNUHLQ-QGZVFWFLSA-N 1 0 398.322 2.936 20 0 GFADRO Cc1cc(NC(=O)N[C@@H](C)CC[NH+]2CCN(C)CC2)ccc1Br ZINC000183915375 552322633 /nfs/dbraw/zinc/32/26/33/552322633.db2.gz IPSSIYQQGFCXHY-AWEZNQCLSA-N 1 0 383.334 2.905 20 0 GFADRO CC[N@H+](CCO)CCNC(=O)c1sc2nc(C(F)(F)F)ccc2c1C ZINC000183922324 552322897 /nfs/dbraw/zinc/32/28/97/552322897.db2.gz KYPGMYTUTXAFRR-UHFFFAOYSA-N 1 0 375.416 2.668 20 0 GFADRO CC[N@H+](CCO)CCNC(=O)[C@H](C)Sc1ccnc2cc(Cl)ccc21 ZINC000183993679 552325134 /nfs/dbraw/zinc/32/51/34/552325134.db2.gz YORIRACSZGSECK-ZDUSSCGKSA-N 1 0 381.929 2.799 20 0 GFADRO C[C@H](CNC(=O)c1ccc(Cl)cc1C(F)(F)F)C[NH+]1CCN(C)CC1 ZINC000184134659 552328221 /nfs/dbraw/zinc/32/82/21/552328221.db2.gz AFMSIYORWFYSIP-GFCCVEGCSA-N 1 0 377.838 2.972 20 0 GFADRO CN(C)c1cc[nH+]cc1C(=O)N(CCO)Cc1cc(Br)ccc1F ZINC000184167476 552328711 /nfs/dbraw/zinc/32/87/11/552328711.db2.gz OEUPNASNRCHBCO-UHFFFAOYSA-N 1 0 396.260 2.684 20 0 GFADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)/C=C/c1ccccc1Br ZINC000184324881 552332980 /nfs/dbraw/zinc/33/29/80/552332980.db2.gz HAMJBGFPXYHXTK-KIUWMYQTSA-N 1 0 380.330 2.605 20 0 GFADRO COC(=O)c1cn(C2CC[NH+](Cc3ccc(C)cc3Br)CC2)nn1 ZINC000184759783 552343564 /nfs/dbraw/zinc/34/35/64/552343564.db2.gz JMMOKZJTFSJAIM-UHFFFAOYSA-N 1 0 393.285 2.973 20 0 GFADRO NC(=O)[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1ccc(Br)cc1Cl ZINC000184803412 552344864 /nfs/dbraw/zinc/34/48/64/552344864.db2.gz WMOVBAADCUFTSD-PWSUYJOCSA-N 1 0 388.693 2.675 20 0 GFADRO O=S(=O)(c1ccc(Br)cc1F)N1CCC([NH2+]CC2CC2)CC1 ZINC000185200886 552356660 /nfs/dbraw/zinc/35/66/60/552356660.db2.gz QWLYPJFSANGLOS-UHFFFAOYSA-N 1 0 391.306 2.741 20 0 GFADRO CC(C)C[C@H](CO)[N@H+](C)CC(=O)Nc1ccc(I)cc1 ZINC000185355679 552361373 /nfs/dbraw/zinc/36/13/73/552361373.db2.gz WIJUCKUDMXJXFW-CQSZACIVSA-N 1 0 390.265 2.569 20 0 GFADRO CCO[C@H](CC[NH+](C)C)CNS(=O)(=O)c1ccc(SC)c(Cl)c1 ZINC000185838887 552371967 /nfs/dbraw/zinc/37/19/67/552371967.db2.gz NKNXLVSDDBENRI-GFCCVEGCSA-N 1 0 380.963 2.697 20 0 GFADRO C[C@@H](C[NH+]1CCCCCC1)NC(=O)c1cc(I)c[nH]1 ZINC000186250633 552382644 /nfs/dbraw/zinc/38/26/44/552382644.db2.gz ZFMCAMQWIKVFNR-NSHDSACASA-N 1 0 375.254 2.614 20 0 GFADRO C[C@@H](C[NH+]1CCCCCC1)NC(=O)c1cncc(I)c1 ZINC000186278432 552384058 /nfs/dbraw/zinc/38/40/58/552384058.db2.gz FWTDONNIYLHJDN-LBPRGKRZSA-N 1 0 387.265 2.681 20 0 GFADRO CCOC(=O)c1nn(C)cc1C[NH2+]CCOc1cccc(Br)c1 ZINC000186318488 552385045 /nfs/dbraw/zinc/38/50/45/552385045.db2.gz NMJNPUQUWHCERY-UHFFFAOYSA-N 1 0 382.258 2.528 20 0 GFADRO CCOC(=O)c1nn(C)cc1C[NH2+]CCOc1ccc(Br)cc1 ZINC000186344485 552385365 /nfs/dbraw/zinc/38/53/65/552385365.db2.gz SYNDVROAVSMWRN-UHFFFAOYSA-N 1 0 382.258 2.528 20 0 GFADRO O=C(NCC1=CC[NH2+]CC1)[C@@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 ZINC000186359341 552385800 /nfs/dbraw/zinc/38/58/00/552385800.db2.gz WHCNKEGMRGOGJW-INIZCTEOSA-N 1 0 382.291 2.634 20 0 GFADRO C[C@H](NC(=O)c1c[nH]c(=O)c(Br)c1)[C@H](c1ccccc1)[NH+](C)C ZINC000186483408 552388509 /nfs/dbraw/zinc/38/85/09/552388509.db2.gz MWEPWZZYKRUKJE-XHDPSFHLSA-N 1 0 378.270 2.559 20 0 GFADRO COc1cc(C(=O)N(C[C@@H]2CCC[NH2+]2)C2CC2)cc(OC)c1Br ZINC000186488406 552389303 /nfs/dbraw/zinc/38/93/03/552389303.db2.gz HERQRXDCXPEBNO-LBPRGKRZSA-N 1 0 383.286 2.823 20 0 GFADRO CN(CC[N@H+](C)C1CC1)C(=O)c1ccnc(Cl)c1I ZINC000186721450 552395753 /nfs/dbraw/zinc/39/57/53/552395753.db2.gz AWZAXZZJUCNTRK-UHFFFAOYSA-N 1 0 393.656 2.506 20 0 GFADRO C[C@@H](Oc1ccccc1Br)C(=O)N1CC[N@H+](CC(C)(C)O)C[C@@H]1C ZINC000186895677 552400979 /nfs/dbraw/zinc/40/09/79/552400979.db2.gz URCUWSODIVHCLU-UONOGXRCSA-N 1 0 399.329 2.520 20 0 GFADRO CN(CC1([NH+](C)C)CCC1)C(=O)c1ccc(Br)cc1-n1cncn1 ZINC000186994911 552403654 /nfs/dbraw/zinc/40/36/54/552403654.db2.gz XYSDPXLYCIJAMJ-UHFFFAOYSA-N 1 0 392.301 2.586 20 0 GFADRO CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]CCCN1C[C@H](C)O[C@@H](C)C1 ZINC000187106860 552406660 /nfs/dbraw/zinc/40/66/60/552406660.db2.gz KNPAVNUHZSXPMJ-GJZGRUSLSA-N 1 0 388.961 2.723 20 0 GFADRO C[C@H](NC(=O)N1CC[N@H+](CC(C)(C)O)C[C@@H]1C)c1ccccc1Br ZINC000187153061 552407491 /nfs/dbraw/zinc/40/74/91/552407491.db2.gz SSGCFNUXOCJYDA-KBPBESRZSA-N 1 0 398.345 2.997 20 0 GFADRO C[C@H](NC(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1)c1ccc(Br)cc1 ZINC000187149720 552407638 /nfs/dbraw/zinc/40/76/38/552407638.db2.gz RYHPAHHMLYDXHM-KBPBESRZSA-N 1 0 398.345 2.997 20 0 GFADRO CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]C1CCC(S(C)(=O)=O)CC1 ZINC000187263986 552411144 /nfs/dbraw/zinc/41/11/44/552411144.db2.gz ZGUIXOVVYFJEOB-UHFFFAOYSA-N 1 0 393.958 2.579 20 0 GFADRO Cc1cc(Br)cc(S(=O)(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000187337790 552412583 /nfs/dbraw/zinc/41/25/83/552412583.db2.gz ZINAYUDXGDHQDQ-TZMCWYRMSA-N 1 0 375.332 2.861 20 0 GFADRO COCCC(=O)N1CCC([NH2+][C@H](C)c2ncc(Br)cc2F)CC1 ZINC000187377609 552413680 /nfs/dbraw/zinc/41/36/80/552413680.db2.gz KEIAULPMYZNQTA-LLVKDONJSA-N 1 0 388.281 2.661 20 0 GFADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)Cc3ccc(C)c(Br)c3)C2)CC1 ZINC000187463098 552416596 /nfs/dbraw/zinc/41/65/96/552416596.db2.gz AAJKRKVSXQVQRK-QGZVFWFLSA-N 1 0 394.357 2.538 20 0 GFADRO COc1cc(Br)ccc1C[NH2+][C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000187574301 552419269 /nfs/dbraw/zinc/41/92/69/552419269.db2.gz WSUNLDBCYBFRHO-HIFRSBDPSA-N 1 0 376.316 2.903 20 0 GFADRO C[C@H]1CN(Cc2csc(COc3ccc(Cl)cc3)n2)CC[N@@H+]1CCO ZINC000187715270 552422827 /nfs/dbraw/zinc/42/28/27/552422827.db2.gz UELAKQPPPQNVML-AWEZNQCLSA-N 1 0 381.929 2.874 20 0 GFADRO C[C@H]1CC[C@@](CO)([N@H+](C)CC(=O)N(C)Cc2cc(Br)cs2)C1 ZINC000188017325 552431854 /nfs/dbraw/zinc/43/18/54/552431854.db2.gz PZTBWUZBZJTWLY-BLLLJJGKSA-N 1 0 389.359 2.952 20 0 GFADRO COC(=O)CN1CCC([NH2+][C@H]2CCN(c3ccc(Cl)cc3Cl)C2)CC1 ZINC000188056738 552433041 /nfs/dbraw/zinc/43/30/41/552433041.db2.gz PBZHRWHOCIMBFV-HNNXBMFYSA-N 1 0 386.323 2.799 20 0 GFADRO Cc1cc(Br)cc(NC(=O)C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000188106737 552434988 /nfs/dbraw/zinc/43/49/88/552434988.db2.gz ZRSSUMBLXNQMAR-CQSZACIVSA-N 1 0 394.313 2.640 20 0 GFADRO Cc1cc(S(=O)(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)sc1Cl ZINC000188114819 552435732 /nfs/dbraw/zinc/43/57/32/552435732.db2.gz ICAMKYCVACQWSY-KGLIPLIRSA-N 1 0 392.974 2.756 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cc1Br ZINC000188126594 552436220 /nfs/dbraw/zinc/43/62/20/552436220.db2.gz SVKSIWTWOQXUBI-OLZOCXBDSA-N 1 0 394.313 2.746 20 0 GFADRO Cc1cc(Br)cc(NC(=O)C(=O)NC[C@@H]2CC[N@@H+](CC(C)C)C2)c1 ZINC000188132843 552436625 /nfs/dbraw/zinc/43/66/25/552436625.db2.gz GKQBRACFKWKYEZ-AWEZNQCLSA-N 1 0 396.329 2.790 20 0 GFADRO CC[NH+](CC)C[C@H]1CCN(C(=O)c2cc(Br)c(C)nc2OC)C1 ZINC000188179033 552438109 /nfs/dbraw/zinc/43/81/09/552438109.db2.gz GEAIFMAUJOVMSH-CYBMUJFWSA-N 1 0 384.318 2.965 20 0 GFADRO Cc1cc(C2CC[NH+](C[C@H](O)CN3CCOCC3)CC2)ccc1Br ZINC000188200516 552438996 /nfs/dbraw/zinc/43/89/96/552438996.db2.gz UEZPYUOVKINIGA-SFHVURJKSA-N 1 0 397.357 2.630 20 0 GFADRO CC(C)[C@H]([NH2+][C@@H](C)Cc1ccc(Br)cc1)C(=O)N1CCOCC1 ZINC000188238834 552440491 /nfs/dbraw/zinc/44/04/91/552440491.db2.gz SVTKJPAZBLCUSX-YOEHRIQHSA-N 1 0 383.330 2.853 20 0 GFADRO Cc1c(C(=O)N2CC[NH+]3CCC2CC3)cnn1-c1cccc(Br)c1 ZINC000188649984 552450893 /nfs/dbraw/zinc/45/08/93/552450893.db2.gz ZXZWBCPIBPFZTL-UHFFFAOYSA-N 1 0 389.297 2.863 20 0 GFADRO Cc1cc(CCC(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)ccc1Br ZINC000188656843 552451383 /nfs/dbraw/zinc/45/13/83/552451383.db2.gz OLUDSQIXLHDZBY-OAHLLOKOSA-N 1 0 397.357 2.994 20 0 GFADRO O=C(COc1ccc(Br)cc1F)NCc1ccc2c(c1)C[NH2+]C2 ZINC000188721568 552453491 /nfs/dbraw/zinc/45/34/91/552453491.db2.gz CTWRPNQZIKEGCL-UHFFFAOYSA-N 1 0 379.229 2.887 20 0 GFADRO O[C@H]1CCCC[C@@H]1C[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000188743810 552454041 /nfs/dbraw/zinc/45/40/41/552454041.db2.gz GDGVOEFZBDSFRS-QAPCUYQASA-N 1 0 383.330 2.926 20 0 GFADRO COCCO[C@H]1CC[N@H+](Cc2cnn(-c3ccc(Br)cc3)c2)C1 ZINC000188814289 552455840 /nfs/dbraw/zinc/45/58/40/552455840.db2.gz SJIMIBWRMRINSU-KRWDZBQOSA-N 1 0 380.286 2.872 20 0 GFADRO Clc1ccc(Cc2nnc(N3CC[NH+](C[C@H]4CCOC4)CC3)s2)cc1 ZINC000188958103 552458932 /nfs/dbraw/zinc/45/89/32/552458932.db2.gz DGPKHYCLIUANJY-OAHLLOKOSA-N 1 0 378.929 2.941 20 0 GFADRO C[C@]([NH2+]CCOc1cc(F)cc(Br)c1)(C(N)=O)c1ccccc1 ZINC000189156733 552464487 /nfs/dbraw/zinc/46/44/87/552464487.db2.gz WWNHTNOJGPZZJK-QGZVFWFLSA-N 1 0 381.245 2.957 20 0 GFADRO O=S(=O)(C[C@@H](O)C[NH2+][C@@H]1CC[C@@H](Cc2ccccc2)C1)c1cccs1 ZINC000189355258 552469864 /nfs/dbraw/zinc/46/98/64/552469864.db2.gz XNXTYECQLSSIRK-KSZLIROESA-N 1 0 379.547 2.884 20 0 GFADRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C[C@H](O)COc1cc(Cl)ccc1Cl ZINC000189470647 552472530 /nfs/dbraw/zinc/47/25/30/552472530.db2.gz QYTJOSNPGKVFRS-ZFWWWQNUSA-N 1 0 391.339 2.510 20 0 GFADRO O=C(CC[NH+]1CCC(c2ccccc2Br)CC1)N1CCOCC1 ZINC000189807445 552480348 /nfs/dbraw/zinc/48/03/48/552480348.db2.gz VKNIJDWVTOEGAQ-UHFFFAOYSA-N 1 0 381.314 2.877 20 0 GFADRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)Nc1ccc(Cl)c(S(C)(=O)=O)c1 ZINC000189879929 552481705 /nfs/dbraw/zinc/48/17/05/552481705.db2.gz HZOKOMVJAJEEGG-CHWSQXEVSA-N 1 0 387.933 2.985 20 0 GFADRO C[C@H]1CN(Cc2nc3cc(Br)ccc3[nH]2)CC[N@@H+]1CC(C)(C)O ZINC000189918512 552482840 /nfs/dbraw/zinc/48/28/40/552482840.db2.gz YTCYTYNFQLDBOW-LBPRGKRZSA-N 1 0 381.318 2.602 20 0 GFADRO Cc1csc([C@@H]2COCCN2C(=O)NC[C@H](c2cccs2)[NH+](C)C)n1 ZINC000189947856 552483261 /nfs/dbraw/zinc/48/32/61/552483261.db2.gz LFXZSCLUETYNBZ-KGLIPLIRSA-N 1 0 380.539 2.899 20 0 GFADRO Cc1cc(F)c(Br)cc1S(=O)(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000189958240 552483721 /nfs/dbraw/zinc/48/37/21/552483721.db2.gz NJHRNKXNWFLXBV-LLVKDONJSA-N 1 0 379.295 2.517 20 0 GFADRO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1cc(C)c(Br)c(C)c1 ZINC000190495559 552498555 /nfs/dbraw/zinc/49/85/55/552498555.db2.gz VZLKQNOPQCSION-ZDUSSCGKSA-N 1 0 384.318 2.851 20 0 GFADRO CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2cc(C)c(Br)c(C)c2)C1 ZINC000190567477 552501177 /nfs/dbraw/zinc/50/11/77/552501177.db2.gz DGWFNUQYXKYQDX-CQSZACIVSA-N 1 0 396.329 2.805 20 0 GFADRO CCO[C@H](CC[NH+](C)C)CNC(=O)C(=O)Nc1cc(Cl)c(F)c(Cl)c1 ZINC000190617104 552503602 /nfs/dbraw/zinc/50/36/02/552503602.db2.gz WAPMAHOOLPTUQJ-LLVKDONJSA-N 1 0 394.274 2.544 20 0 GFADRO CC[NH+](CC)CCCNC(=O)C(=O)Nc1cc(Br)c(F)cc1F ZINC000190727549 552506836 /nfs/dbraw/zinc/50/68/36/552506836.db2.gz QWTUSIKIZZFHNA-UHFFFAOYSA-N 1 0 392.244 2.514 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2cc(C)cc(Br)c2)[C@H](C)C1 ZINC000190847714 552510997 /nfs/dbraw/zinc/51/09/97/552510997.db2.gz OMFQIXLRNAXUGE-CJNGLKHVSA-N 1 0 396.329 2.885 20 0 GFADRO C[NH+]1CCC(CCNC(=O)Cc2ccc(I)cc2)CC1 ZINC000190911711 552513512 /nfs/dbraw/zinc/51/35/12/552513512.db2.gz UJOBPPYQVGPSGN-UHFFFAOYSA-N 1 0 386.277 2.682 20 0 GFADRO C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)Cc1ccc(I)cc1)C2 ZINC000190953220 552514491 /nfs/dbraw/zinc/51/44/91/552514491.db2.gz XWUDVTKBMLCODE-MQVJKMGUSA-N 1 0 398.288 2.965 20 0 GFADRO C[C@@H](NC(=O)C[N@H+](C)C1(CO)CCOCC1)c1ccc(Cl)c(Cl)c1 ZINC000190993448 552515835 /nfs/dbraw/zinc/51/58/35/552515835.db2.gz UZNXBSQAOLFQKJ-GFCCVEGCSA-N 1 0 375.296 2.644 20 0 GFADRO C[C@H]([NH2+]C1CCN(S(=O)(=O)c2cnn(C)c2)CC1)c1csc(Cl)c1 ZINC000191371722 552526575 /nfs/dbraw/zinc/52/65/75/552526575.db2.gz QHCRGRXZADGTHD-NSHDSACASA-N 1 0 388.946 2.639 20 0 GFADRO NC(=O)C[C@@H]([NH2+]Cc1cc(Br)c(Cl)s1)C1CCOCC1 ZINC000191522928 552530794 /nfs/dbraw/zinc/53/07/94/552530794.db2.gz MZCJCJBWZJRQQI-LLVKDONJSA-N 1 0 381.723 2.924 20 0 GFADRO Cc1csc(C(=O)N2CC[C@H](C[NH+](C)C)C2)c1I ZINC000191651961 552533880 /nfs/dbraw/zinc/53/38/80/552533880.db2.gz XTHYSCJJMCVWFR-SNVBAGLBSA-N 1 0 378.279 2.685 20 0 GFADRO O=S(=O)(CCO)c1ccc(C[NH2+]Cc2cccc(Br)c2)cc1 ZINC000191838985 552539333 /nfs/dbraw/zinc/53/93/33/552539333.db2.gz FYOYQKLWCZPSDI-UHFFFAOYSA-N 1 0 384.295 2.505 20 0 GFADRO O=S(=O)(CCO)c1ccc(C[NH2+]Cc2ccc(Br)cc2)cc1 ZINC000191844339 552539722 /nfs/dbraw/zinc/53/97/22/552539722.db2.gz AKKJGAKJPZCMRW-UHFFFAOYSA-N 1 0 384.295 2.505 20 0 GFADRO Cn1nc(Br)cc1C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000191886093 552541283 /nfs/dbraw/zinc/54/12/83/552541283.db2.gz SMFHBMFOWSHOQG-GFCCVEGCSA-N 1 0 383.315 2.811 20 0 GFADRO Cc1cc(F)c(Br)cc1NC(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000191946788 552543838 /nfs/dbraw/zinc/54/38/38/552543838.db2.gz AJMSRULHKDZJSI-LBPRGKRZSA-N 1 0 398.276 2.532 20 0 GFADRO COc1ccc(NC(=O)N(C)CCC[NH+](C)C)c(I)c1 ZINC000192432918 552564033 /nfs/dbraw/zinc/56/40/33/552564033.db2.gz WAJHKYSHPDLBCE-UHFFFAOYSA-N 1 0 391.253 2.715 20 0 GFADRO Cc1cc(NC(=O)C(=O)NCC[NH+]2CCCCC2)cc(C)c1Br ZINC000192449491 552564160 /nfs/dbraw/zinc/56/41/60/552564160.db2.gz MPPJMBZFIWKARB-UHFFFAOYSA-N 1 0 382.302 2.607 20 0 GFADRO C[N@H+]1C[C@H]2CN(C(=O)CCNc3ncc(C(F)(F)F)cc3Cl)C[C@H]2C1 ZINC000192495218 552565823 /nfs/dbraw/zinc/56/58/23/552565823.db2.gz PUQNVSGTPYEEFT-PHIMTYICSA-N 1 0 376.810 2.576 20 0 GFADRO CC[NH+](CC)[C@H](CNC(=O)C(=O)Nc1nc(C)c(C)s1)c1ccsc1 ZINC000192561323 552566933 /nfs/dbraw/zinc/56/69/33/552566933.db2.gz UNXCKMFMCFCIMA-CQSZACIVSA-N 1 0 380.539 2.959 20 0 GFADRO CN([C@@H]1CC[NH2+]C1)S(=O)(=O)c1ccc(Br)c(Cl)c1Cl ZINC000193271240 552988386 /nfs/dbraw/zinc/98/83/86/552988386.db2.gz HJGCZOVEYNXLGP-SSDOTTSWSA-N 1 0 388.114 2.738 20 0 GFADRO CCOC(=O)Cc1csc(NC(=O)CN(Cc2cccs2)C2CC2)n1 ZINC000192796894 552973967 /nfs/dbraw/zinc/97/39/67/552973967.db2.gz PZQOHDNRENASCD-UHFFFAOYSA-N 1 0 379.507 2.913 20 0 GFADRO C[C@@H](O)C[N@@H+]1CCN(Cc2ncc(-c3ccc(Br)cc3)o2)[C@@H](C)C1 ZINC000192811388 552974408 /nfs/dbraw/zinc/97/44/08/552974408.db2.gz QPYCGAGSFXSYJF-UONOGXRCSA-N 1 0 394.313 2.991 20 0 GFADRO CCC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2cc(OC)c(OC)cc2Cl)C1 ZINC000192821174 552975160 /nfs/dbraw/zinc/97/51/60/552975160.db2.gz GRVOHTKCRPEEQP-ZDUSSCGKSA-N 1 0 390.933 2.710 20 0 GFADRO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)C(=O)Nc1ccc(Cl)cn1 ZINC000192831182 552975192 /nfs/dbraw/zinc/97/51/92/552975192.db2.gz YOWQRJWWMQSWHA-CYBMUJFWSA-N 1 0 378.885 2.688 20 0 GFADRO C[NH+]1CCN(CCNC(=O)CSc2cccc3cccc(Cl)c32)CC1 ZINC000193092163 552983265 /nfs/dbraw/zinc/98/32/65/552983265.db2.gz YFJUUUIAKSXFIC-UHFFFAOYSA-N 1 0 377.941 2.949 20 0 GFADRO CCCC[C@H](C[NH3+])NS(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC000193305469 552989526 /nfs/dbraw/zinc/98/95/26/552989526.db2.gz SNBDJCPZQUHOSL-UKRRQHHQSA-N 1 0 390.933 2.551 20 0 GFADRO CC[NH2+]CC1CCN(S(=O)(=O)c2cc(C)cc(Br)c2)CC1 ZINC000193299860 552989724 /nfs/dbraw/zinc/98/97/24/552989724.db2.gz UNAOXGLBDQZILQ-UHFFFAOYSA-N 1 0 375.332 2.768 20 0 GFADRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)[C@@H]2Cc3cc(Br)ccc3O2)C1 ZINC000193600415 552998083 /nfs/dbraw/zinc/99/80/83/552998083.db2.gz VZAIVVQHSZZAQR-VMGRFDJRSA-N 1 0 379.298 2.695 20 0 GFADRO C[C@H](Sc1ccccc1Cl)C(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000193698841 553000513 /nfs/dbraw/zinc/00/05/13/553000513.db2.gz DHVXMBYVBUEIDI-UONOGXRCSA-N 1 0 383.945 2.667 20 0 GFADRO Cc1c(C(=O)N(C)C2CC[NH+](C)CC2)nnn1-c1cccc(Br)c1 ZINC000193877000 553005357 /nfs/dbraw/zinc/00/53/57/553005357.db2.gz SWCAFYUCEBLHHY-UHFFFAOYSA-N 1 0 392.301 2.504 20 0 GFADRO O=S(=O)(NC1CC[NH+](CC2CC2)CC1)c1sccc1Br ZINC000193959759 553007977 /nfs/dbraw/zinc/00/79/77/553007977.db2.gz GQYOBPUUJSOVQO-UHFFFAOYSA-N 1 0 379.345 2.663 20 0 GFADRO O=S(=O)(NCC[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2)c1cccc(Cl)c1 ZINC000194006317 553009086 /nfs/dbraw/zinc/00/90/86/553009086.db2.gz QKIGFYUCFJQVKG-BRWVUGGUSA-N 1 0 384.929 2.556 20 0 GFADRO O=S(=O)(C1CC1)N1CCC([NH2+][C@@H]2CCc3ccc(Br)cc32)CC1 ZINC000193994446 553009111 /nfs/dbraw/zinc/00/91/11/553009111.db2.gz QIAXWURASNMACO-QGZVFWFLSA-N 1 0 399.354 2.983 20 0 GFADRO Cn1ccc(N2CCC[C@H]([NH2+][C@H]3CCc4ccc(Br)cc43)C2=O)n1 ZINC000193993930 553009549 /nfs/dbraw/zinc/00/95/49/553009549.db2.gz PRSXCWQHZLLTLY-HOTGVXAUSA-N 1 0 389.297 2.955 20 0 GFADRO O=C1CNC(=O)N1CC[NH2+][C@H](c1ccccc1)c1ccc(Br)cc1 ZINC000194473734 553021991 /nfs/dbraw/zinc/02/19/91/553021991.db2.gz WIRZCDCMQVWDRU-QGZVFWFLSA-N 1 0 388.265 2.680 20 0 GFADRO COc1ccc(Br)c(S(=O)(=O)N(CC[NH3+])Cc2ccccc2)c1 ZINC000194746625 553028461 /nfs/dbraw/zinc/02/84/61/553028461.db2.gz RFUVOJJCOWRBSF-UHFFFAOYSA-N 1 0 399.310 2.607 20 0 GFADRO [NH3+]CCN(Cc1ccccc1)S(=O)(=O)Cc1ccc(Br)cc1 ZINC000194750630 553028758 /nfs/dbraw/zinc/02/87/58/553028758.db2.gz YZEFKMGZMADMSK-UHFFFAOYSA-N 1 0 383.311 2.740 20 0 GFADRO COc1cccc2c1CCC[C@@H]2[NH2+]C[C@H](O)CS(=O)(=O)c1cccs1 ZINC000194936419 553034305 /nfs/dbraw/zinc/03/43/05/553034305.db2.gz FJRBPIMXGUTFGF-BBRMVZONSA-N 1 0 381.519 2.559 20 0 GFADRO C[NH+]1CCN(c2ccc(NC(=O)c3cc(Br)cs3)nc2)CC1 ZINC000195029261 553036033 /nfs/dbraw/zinc/03/60/33/553036033.db2.gz XLVXBVCPYQKXJD-UHFFFAOYSA-N 1 0 381.299 2.910 20 0 GFADRO C[C@@H]1C[N@@H+](CCCNC(=O)NCc2ccccc2Br)C[C@H](C)O1 ZINC000195070850 553037301 /nfs/dbraw/zinc/03/73/01/553037301.db2.gz HLGUTNBPBBVHFR-OKILXGFUSA-N 1 0 384.318 2.748 20 0 GFADRO C[C@@H](NC(=O)c1ccc(F)cc1I)[C@H]1CCC[NH2+]C1 ZINC000226235676 553061362 /nfs/dbraw/zinc/06/13/62/553061362.db2.gz JPBDZTRLLJITPZ-ZJUUUORDSA-N 1 0 376.213 2.548 20 0 GFADRO COc1cc(CNC(=O)C2CC[NH+](C3CC3)CC2)cc(Br)c1OC ZINC000195407889 553047821 /nfs/dbraw/zinc/04/78/21/553047821.db2.gz UDFVWXRIGGLPDU-UHFFFAOYSA-N 1 0 397.313 2.957 20 0 GFADRO CC(C)[NH+](CCNS(=O)(=O)N(C)Cc1c(F)cccc1Cl)C(C)C ZINC000218813507 553054566 /nfs/dbraw/zinc/05/45/66/553054566.db2.gz UWLMYYTWLNKKHL-UHFFFAOYSA-N 1 0 379.929 2.864 20 0 GFADRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(F)cc1I ZINC000223499654 553056436 /nfs/dbraw/zinc/05/64/36/553056436.db2.gz OPBHBWOMULSNHB-JTQLQIEISA-N 1 0 388.224 2.644 20 0 GFADRO O=C(NC[C@@H]1CCC[NH2+]C1)c1ccc(I)c(Cl)c1 ZINC000226230795 553060746 /nfs/dbraw/zinc/06/07/46/553060746.db2.gz FOIQMOZIUISOIC-SECBINFHSA-N 1 0 378.641 2.674 20 0 GFADRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)c1cc(Cl)ccc1I ZINC000228769664 553063844 /nfs/dbraw/zinc/06/38/44/553063844.db2.gz HBRSAFKFRDJXLM-BDAKNGLRSA-N 1 0 378.641 2.754 20 0 GFADRO O=C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cnn(-c2cccc(Br)c2)c1 ZINC000236676231 553070284 /nfs/dbraw/zinc/07/02/84/553070284.db2.gz RGLUPPRBMDDQJO-YIONKMFJSA-N 1 0 375.270 2.648 20 0 GFADRO O=C(NCC1(c2ccc(Br)cc2)CCOCC1)[C@H]1CCCC[NH2+]1 ZINC000236678534 553070338 /nfs/dbraw/zinc/07/03/38/553070338.db2.gz MZHMGRSJMVDQDH-MRXNPFEDSA-N 1 0 381.314 2.756 20 0 GFADRO CC(=O)N[C@H](CC(=O)NCC[C@@H]1CCC[NH2+]C1)c1ccc(Br)cc1 ZINC000236724681 553071161 /nfs/dbraw/zinc/07/11/61/553071161.db2.gz HCBCKERMDPHNEC-WMLDXEAASA-N 1 0 396.329 2.522 20 0 GFADRO CCCN(C(=O)c1cc(=O)[nH]c2c(Br)cccc12)C1CC[NH2+]CC1 ZINC000236833055 553072312 /nfs/dbraw/zinc/07/23/12/553072312.db2.gz TWIUHLCDQGZPKX-UHFFFAOYSA-N 1 0 392.297 2.895 20 0 GFADRO CC[C@@H](C)[C@H]([NH3+])C(=O)NC1CCN(Cc2ccc(Br)cc2)CC1 ZINC000236914540 553072942 /nfs/dbraw/zinc/07/29/42/553072942.db2.gz KXMAWTGMCJWVPY-DYVFJYSZSA-N 1 0 382.346 2.903 20 0 GFADRO CC[NH2+]CCNC(=O)c1c(C)nn(Cc2cccc(Br)c2)c1C ZINC000236983357 553073483 /nfs/dbraw/zinc/07/34/83/553073483.db2.gz OJBQRKJVJBKSCV-UHFFFAOYSA-N 1 0 379.302 2.650 20 0 GFADRO C[NH2+]C[C@H]1CCCN(C(=O)c2c(C)c3cc(Br)ccc3oc2=O)C1 ZINC000237064502 553074277 /nfs/dbraw/zinc/07/42/77/553074277.db2.gz JYXPAHRUKORIOP-GFCCVEGCSA-N 1 0 393.281 2.936 20 0 GFADRO COc1ccc(Br)cc1C(=O)CCC(=O)N[C@](C)(C[NH3+])C(C)C ZINC000237111778 553074706 /nfs/dbraw/zinc/07/47/06/553074706.db2.gz UPFXIIXXEHAYSH-QGZVFWFLSA-N 1 0 385.302 2.910 20 0 GFADRO C[NH2+]C[C@H](C)CNS(=O)(=O)c1ccc(Br)c(C(F)(F)F)c1 ZINC000237208561 553075881 /nfs/dbraw/zinc/07/58/81/553075881.db2.gz HWEPSDOERIXVAA-QMMMGPOBSA-N 1 0 389.237 2.602 20 0 GFADRO C[NH2+]C[C@H](C)CNS(=O)(=O)c1cc(Br)cc(C(F)(F)F)c1 ZINC000237207286 553076085 /nfs/dbraw/zinc/07/60/85/553076085.db2.gz HXUBBJZYZVODKI-QMMMGPOBSA-N 1 0 389.237 2.602 20 0 GFADRO COc1cc(Br)c(S(=O)(=O)NC2(C[NH3+])CCCC2)cc1Cl ZINC000237199648 553076178 /nfs/dbraw/zinc/07/61/78/553076178.db2.gz NCUCQCUIGHEKJL-UHFFFAOYSA-N 1 0 397.722 2.661 20 0 GFADRO COc1cc(Cl)c(S(=O)(=O)N2CCC(OCCC[NH3+])CC2)cc1Cl ZINC000237295091 553076414 /nfs/dbraw/zinc/07/64/14/553076414.db2.gz SXINMHZDHSLCCJ-UHFFFAOYSA-N 1 0 397.324 2.521 20 0 GFADRO C[NH2+]CCN(C)C(=O)c1c(C)nn(Cc2cccc(Br)c2)c1C ZINC000237343778 553077006 /nfs/dbraw/zinc/07/70/06/553077006.db2.gz HTUOZTRQYAUGLS-UHFFFAOYSA-N 1 0 379.302 2.602 20 0 GFADRO CSCC[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)NC[C@@H](C)C[NH3+] ZINC000237339473 553077155 /nfs/dbraw/zinc/07/71/55/553077155.db2.gz ZARISUKHKFZINS-HZMBPMFUSA-N 1 0 392.352 2.556 20 0 GFADRO Cc1c(C(=O)N2C[C@@H](C)[NH2+]C[C@@H]2C)cnn1-c1ccc(Br)cc1 ZINC000237381417 553077288 /nfs/dbraw/zinc/07/72/88/553077288.db2.gz LPQRJOLGLVQGNO-NEPJUHHUSA-N 1 0 377.286 2.766 20 0 GFADRO C[C@@H](C[NH3+])N(C)C(=O)c1nn(-c2cccc(Br)c2)c2c1CCCC2 ZINC000237485787 553078067 /nfs/dbraw/zinc/07/80/67/553078067.db2.gz SXJHNKSORHONSM-LBPRGKRZSA-N 1 0 391.313 2.933 20 0 GFADRO C[C@@H](C[NH3+])N(C)C(=O)c1nn(-c2cccc(Br)c2)c2c1CCC2 ZINC000237485826 553078262 /nfs/dbraw/zinc/07/82/62/553078262.db2.gz YARUTUGJOOMUSO-NSHDSACASA-N 1 0 377.286 2.543 20 0 GFADRO C[C@H]1C[C@H]([NH3+])CCN1C(=O)c1nn(-c2ccc(F)cc2)cc1Br ZINC000237629374 553080076 /nfs/dbraw/zinc/08/00/76/553080076.db2.gz DDOSEHKPCQFZOR-CMPLNLGQSA-N 1 0 381.249 2.726 20 0 GFADRO O=C(NC[C@H]1CCC[NH2+]C1)c1nn(-c2ccc(F)cc2)cc1Br ZINC000237701867 553080543 /nfs/dbraw/zinc/08/05/43/553080543.db2.gz XUJPZCRCXRLPRV-NSHDSACASA-N 1 0 381.249 2.503 20 0 GFADRO O=S(=O)(c1ccccc1OC(F)(F)F)N1CCC([NH2+]CC2CC2)CC1 ZINC000237722370 553081189 /nfs/dbraw/zinc/08/11/89/553081189.db2.gz QQSROFDEYHTYQU-UHFFFAOYSA-N 1 0 378.416 2.738 20 0 GFADRO [NH3+]CCCOC1CCN(C(=O)CCCOc2ccccc2Br)CC1 ZINC000237816610 553082126 /nfs/dbraw/zinc/08/21/26/553082126.db2.gz VXWZVVBUWUPWLN-UHFFFAOYSA-N 1 0 399.329 2.965 20 0 GFADRO [NH3+]CCCNC(=O)c1nn(-c2cccc(Br)c2)c2c1CCCC2 ZINC000237812864 553082218 /nfs/dbraw/zinc/08/22/18/553082218.db2.gz VESUIKIRRAIOCZ-UHFFFAOYSA-N 1 0 377.286 2.592 20 0 GFADRO [NH3+]C1(CNS(=O)(=O)c2cc(F)ccc2Br)CCCCCC1 ZINC000237846031 553082959 /nfs/dbraw/zinc/08/29/59/553082959.db2.gz HSXKENOBRJECNZ-UHFFFAOYSA-N 1 0 379.295 2.918 20 0 GFADRO [NH3+]C[C@H]1CCCN(C(=O)CCC[S@@](=O)c2ccc(Br)cc2)C1 ZINC000237851710 553082986 /nfs/dbraw/zinc/08/29/86/553082986.db2.gz YBAAHNMPTCPKCY-MCMMXHMISA-N 1 0 387.343 2.534 20 0 GFADRO O=C(NCC[NH2+]C1CC1)[C@@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000237861025 553083238 /nfs/dbraw/zinc/08/32/38/553083238.db2.gz PKBYZERZFUHGTN-CYBMUJFWSA-N 1 0 384.307 2.714 20 0 GFADRO [NH3+]C1CCN(C(=O)CCCCc2ccc(I)cc2)CC1 ZINC000237862642 553083458 /nfs/dbraw/zinc/08/34/58/553083458.db2.gz LCRYTGLRDWQGDQ-UHFFFAOYSA-N 1 0 386.277 2.954 20 0 GFADRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)c1cc(=O)[nH]c2c(Br)cccc12 ZINC000237887520 553083509 /nfs/dbraw/zinc/08/35/09/553083509.db2.gz FYITWUJMGLKHAN-HZMBPMFUSA-N 1 0 378.270 2.538 20 0 GFADRO [NH3+][C@H]1CCC[C@H](C(=O)Nc2ncn(Cc3cccc(Br)c3)n2)C1 ZINC000238055745 553085727 /nfs/dbraw/zinc/08/57/27/553085727.db2.gz WYBUHVHPBGROHM-JSGCOSHPSA-N 1 0 378.274 2.545 20 0 GFADRO CC[N@H+](C)C[C@@H]1CCN(CC(=O)N[C@H](C)c2ccc(Br)cc2)C1 ZINC000245466748 553090751 /nfs/dbraw/zinc/09/07/51/553090751.db2.gz ZENFCBRHLGVAND-CABCVRRESA-N 1 0 382.346 2.900 20 0 GFADRO O=c1cc(C[N@H+](C[C@@H]2CCCO2)[C@H]2CCSC2)nc2ccc(Cl)cn12 ZINC000245853366 553098393 /nfs/dbraw/zinc/09/83/93/553098393.db2.gz JQMAXKCCAIMPIR-HOTGVXAUSA-N 1 0 379.913 2.834 20 0 GFADRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)NCCOc2ccc(Br)cc2)C1 ZINC000246056961 553101571 /nfs/dbraw/zinc/10/15/71/553101571.db2.gz YTAGIDWYBBRTFA-WMLDXEAASA-N 1 0 396.329 2.954 20 0 GFADRO CN(C)C(=O)[C@@H]1CC[C@H](C[NH2+][C@H]2CCCOc3cc(Br)ccc32)O1 ZINC000246077255 553102407 /nfs/dbraw/zinc/10/24/07/553102407.db2.gz UIPNILQUJKBRNG-KBMXLJTQSA-N 1 0 397.313 2.888 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2ccc(F)cc2Br)[C@@H](C)C1 ZINC000246123829 553102889 /nfs/dbraw/zinc/10/28/89/553102889.db2.gz JDYSZUWPMNRULR-SMDDNHRTSA-N 1 0 393.322 2.939 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2ccc(Br)s2)[C@@H](C)C1 ZINC000246257896 553105058 /nfs/dbraw/zinc/10/50/58/553105058.db2.gz TZHFVDLYBYDSSO-QWRGUYRKSA-N 1 0 381.361 2.861 20 0 GFADRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)COc2ccc(Br)cc2F)C1 ZINC000246472803 553108450 /nfs/dbraw/zinc/10/84/50/553108450.db2.gz CUJRLPJRGDUKOB-SWLSCSKDSA-N 1 0 385.277 2.910 20 0 GFADRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2cccc(I)c2)C1 ZINC000246591185 553110323 /nfs/dbraw/zinc/11/03/23/553110323.db2.gz INEMLAYUVWPGAV-ZFWWWQNUSA-N 1 0 384.261 2.848 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)N[C@H](CO)c2cccc(Br)c2)C1 ZINC000246572399 553110357 /nfs/dbraw/zinc/11/03/57/553110357.db2.gz BVGCNHBNHNJCLW-ARFHVFGLSA-N 1 0 384.318 2.655 20 0 GFADRO COCCCNC(=O)[C@@H](C)N1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000246639802 553110873 /nfs/dbraw/zinc/11/08/73/553110873.db2.gz WRTOGAAWILCNMR-TZMCWYRMSA-N 1 0 375.296 2.988 20 0 GFADRO O[C@H](COc1cccc(C(F)(F)F)c1)C[N@@H+]1CCS[C@@H]2COCC[C@H]21 ZINC000246773812 553112615 /nfs/dbraw/zinc/11/26/15/553112615.db2.gz IEBHOHAZUXXWJY-NUEKZKHPSA-N 1 0 377.428 2.651 20 0 GFADRO CCOCCC[N@@H+]1CC[C@@H](NS(=O)(=O)c2cc(F)ccc2Cl)[C@@H](C)C1 ZINC000247043672 553117737 /nfs/dbraw/zinc/11/77/37/553117737.db2.gz AMFGKBYDTZIJGO-XJKSGUPXSA-N 1 0 392.924 2.894 20 0 GFADRO CC(=O)Nc1nc(C(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)cs1 ZINC000247067499 553117764 /nfs/dbraw/zinc/11/77/64/553117764.db2.gz WJPGJPBXUDTARG-SWLSCSKDSA-N 1 0 378.523 2.976 20 0 GFADRO CC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)C1 ZINC000247216550 553119931 /nfs/dbraw/zinc/11/99/31/553119931.db2.gz SHBQHFVDWMZAHI-GXTWGEPZSA-N 1 0 384.307 2.804 20 0 GFADRO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@@H](C)[C@H](C)N1CCOCC1 ZINC000247923532 553126429 /nfs/dbraw/zinc/12/64/29/553126429.db2.gz BKPOVFZADINCJP-ILXRZTDVSA-N 1 0 398.345 2.865 20 0 GFADRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)c3ccc(I)cc3Cl)C[C@H]12 ZINC000248620439 553132012 /nfs/dbraw/zinc/13/20/12/553132012.db2.gz MVLQWRRVQBACSS-YDEJPDAXSA-N 1 0 390.652 2.754 20 0 GFADRO COc1cc(Cl)c(S(=O)(=O)NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)cc1OC ZINC000248752942 553134275 /nfs/dbraw/zinc/13/42/75/553134275.db2.gz OYASXZVTNYQYAD-QWHCGFSZSA-N 1 0 390.933 2.756 20 0 GFADRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NS(=O)(=O)Cc1ccc(Cl)nc1 ZINC000248792865 553135079 /nfs/dbraw/zinc/13/50/79/553135079.db2.gz IXLGOUJUCNJYCI-WMLDXEAASA-N 1 0 379.913 2.675 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2cc(C)ccc2Br)[C@@H](C)C1 ZINC000249185391 553140221 /nfs/dbraw/zinc/14/02/21/553140221.db2.gz NYLOGPDYBYNALB-XJKSGUPXSA-N 1 0 396.329 2.885 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2cc(C)cc(Br)c2)[C@@H](C)C1 ZINC000249187660 553140348 /nfs/dbraw/zinc/14/03/48/553140348.db2.gz OMFQIXLRNAXUGE-BBRMVZONSA-N 1 0 396.329 2.885 20 0 GFADRO C[C@@H](NC(=O)CN1CC[N@@H+](C[C@H](C)O)C[C@@H]1C)c1ccc(Cl)c(Cl)c1 ZINC000249208610 553140789 /nfs/dbraw/zinc/14/07/89/553140789.db2.gz CGFIMSLFJZNLGD-MELADBBJSA-N 1 0 388.339 2.558 20 0 GFADRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000249398275 553142887 /nfs/dbraw/zinc/14/28/87/553142887.db2.gz SCEQPZOOVHPDSD-XOKHGSTOSA-N 1 0 395.341 2.856 20 0 GFADRO C[C@H](Oc1ccc(Br)cc1)C(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000249405509 553143017 /nfs/dbraw/zinc/14/30/17/553143017.db2.gz UIKATKWAFABJBT-KGLIPLIRSA-N 1 0 399.329 2.520 20 0 GFADRO CC[N@@H+](C[C@@H](O)C(F)(F)F)C[C@H](O)COc1cc(Cl)ccc1Cl ZINC000249488313 553143863 /nfs/dbraw/zinc/14/38/63/553143863.db2.gz XRWAFTQDAZAJEG-GXFFZTMASA-N 1 0 376.202 2.978 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)C(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000249981988 553146710 /nfs/dbraw/zinc/14/67/10/553146710.db2.gz AVHZVJHLNRKPDO-OCCSQVGLSA-N 1 0 396.329 2.933 20 0 GFADRO Cc1ccc(NC(=O)C(=O)N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)cc1Br ZINC000250298651 553147440 /nfs/dbraw/zinc/14/74/40/553147440.db2.gz KLHWALSFPQPNMS-TZMCWYRMSA-N 1 0 396.329 2.933 20 0 GFADRO Cc1cc(CCC(=O)N2CC[N@@H+](C[C@H](C)O)C[C@@H]2C)ccc1Br ZINC000251949856 553148939 /nfs/dbraw/zinc/14/89/39/553148939.db2.gz UVQRONDRYNPCNM-GJZGRUSLSA-N 1 0 383.330 2.604 20 0 GFADRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)Nc1cccc(Br)c1 ZINC000253357840 553150889 /nfs/dbraw/zinc/15/08/89/553150889.db2.gz GCFKBRCPEJWERL-OLZOCXBDSA-N 1 0 382.302 2.624 20 0 GFADRO COc1ccccc1[C@H]1C[NH2+]CCN1CC(=O)NCc1ccc(Cl)s1 ZINC000261625641 553154386 /nfs/dbraw/zinc/15/43/86/553154386.db2.gz DIZZPAIDNYPDAQ-OAHLLOKOSA-N 1 0 379.913 2.673 20 0 GFADRO C[C@@]([NH3+])(C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1)c1ccc(Br)cc1 ZINC000261637269 553154411 /nfs/dbraw/zinc/15/44/11/553154411.db2.gz ALYWYNNSHQAQDG-SCTDSRPQSA-N 1 0 388.309 2.576 20 0 GFADRO Cc1cccc(C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c1I ZINC000261632353 553154537 /nfs/dbraw/zinc/15/45/37/553154537.db2.gz DAAALZLKRKNIAW-UBHSHLNASA-N 1 0 384.261 2.799 20 0 GFADRO COCC1(CNC(=O)CCOc2ccc(Cl)c(Cl)c2)CC[NH2+]CC1 ZINC000261654006 553155021 /nfs/dbraw/zinc/15/50/21/553155021.db2.gz DPOCCYCJXAFSKG-UHFFFAOYSA-N 1 0 375.296 2.895 20 0 GFADRO COCC1(CNC(=O)CCc2ccc(Br)c(C)c2)CC[NH2+]CC1 ZINC000261652446 553155045 /nfs/dbraw/zinc/15/50/45/553155045.db2.gz DJXPGJSNKWOHHH-UHFFFAOYSA-N 1 0 383.330 2.823 20 0 GFADRO CC(C)Sc1ccccc1C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000261668527 553156007 /nfs/dbraw/zinc/15/60/07/553156007.db2.gz BTDLEFOLQUJYRG-OAHLLOKOSA-N 1 0 375.460 2.753 20 0 GFADRO C[C@@]1(C[NH3+])CCN(C(=O)C2(c3ccc(Br)cc3)CCOCC2)C1 ZINC000261698727 553156401 /nfs/dbraw/zinc/15/64/01/553156401.db2.gz BJXDBDREHHWLNL-KRWDZBQOSA-N 1 0 381.314 2.695 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000261700032 553156446 /nfs/dbraw/zinc/15/64/46/553156446.db2.gz IGSNRMBNBGZTKY-GXTWGEPZSA-N 1 0 382.302 2.720 20 0 GFADRO COCC1(CNC(=O)c2ccc(Cl)cc2Br)CC[NH2+]CC1 ZINC000261709570 553156795 /nfs/dbraw/zinc/15/67/95/553156795.db2.gz PAUGATJQIXMXJF-UHFFFAOYSA-N 1 0 375.694 2.849 20 0 GFADRO [NH3+][C@@H]1CN(S(=O)(=O)c2ccc(F)c(Br)c2)C[C@H]1c1ccccc1 ZINC000261724505 553157544 /nfs/dbraw/zinc/15/75/44/553157544.db2.gz NTHGLIBZULJRAB-XJKSGUPXSA-N 1 0 399.285 2.704 20 0 GFADRO CN(C(=O)CNC(=O)[C@@](C)([NH3+])c1ccc(Br)cc1)C1CCCCC1 ZINC000261773240 553158424 /nfs/dbraw/zinc/15/84/24/553158424.db2.gz OMMUJUJRDYSHQW-SFHVURJKSA-N 1 0 396.329 2.530 20 0 GFADRO O=C(CN1CC[C@@H](N2CC[NH2+]CC2)C1)Nc1cc(Cl)c(Cl)cc1Cl ZINC000261777500 553159406 /nfs/dbraw/zinc/15/94/06/553159406.db2.gz XMKQPVHVHIVPLK-LLVKDONJSA-N 1 0 391.730 2.565 20 0 GFADRO O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1cc2cc(F)ccc2s1 ZINC000261804486 553160055 /nfs/dbraw/zinc/16/00/55/553160055.db2.gz HENKMZAZJZOXEE-CQSZACIVSA-N 1 0 375.391 2.606 20 0 GFADRO C[C@]1(C[NH3+])CCN(S(=O)(=O)c2ccc3cc(Br)ccc3c2)C1 ZINC000261847244 553160933 /nfs/dbraw/zinc/16/09/33/553160933.db2.gz RESFWWWMIUXZLS-MRXNPFEDSA-N 1 0 383.311 2.962 20 0 GFADRO COc1ccc(Br)cc1[C@H]1CCCN1C(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000261865670 553161361 /nfs/dbraw/zinc/16/13/61/553161361.db2.gz SOJOZOHDELSWHU-XPKDYRNWSA-N 1 0 383.286 2.628 20 0 GFADRO O=C(CC[C@@H]1CC[NH2+]C1)N1CCN(C(=O)c2cc3sccc3s2)CC1 ZINC000261867427 553161860 /nfs/dbraw/zinc/16/18/60/553161860.db2.gz PVZOVVRUKSAQRJ-CYBMUJFWSA-N 1 0 377.535 2.637 20 0 GFADRO CCOC(=O)[C@H](Cc1cc(Cl)cc(Cl)c1)NC(=O)CC[C@H]1CC[NH2+]C1 ZINC000261903071 553162256 /nfs/dbraw/zinc/16/22/56/553162256.db2.gz ZFGOAAQZHKHGKN-LRDDRELGSA-N 1 0 387.307 2.974 20 0 GFADRO COc1ccc(CCC(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1Br ZINC000261896362 553162338 /nfs/dbraw/zinc/16/23/38/553162338.db2.gz VUYBDWSBUGYPBD-GASCZTMLSA-N 1 0 381.314 2.848 20 0 GFADRO CC1(C)CN(C(=O)[C@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)CC[C@H]1[NH3+] ZINC000261938085 553162662 /nfs/dbraw/zinc/16/26/62/553162662.db2.gz XDKDRJVLNAQYFO-IUODEOHRSA-N 1 0 384.307 2.932 20 0 GFADRO C[NH2+]C[C@@H]1CCCN(Cc2ccc(Br)cc2N2CCOCC2)C1 ZINC000261941850 553162976 /nfs/dbraw/zinc/16/29/76/553162976.db2.gz MVVQREALCOHCFQ-HNNXBMFYSA-N 1 0 382.346 2.717 20 0 GFADRO [NH3+][C@H](CNC(=O)c1ccc(NC(=O)c2ccc(Br)o2)cc1)C1CC1 ZINC000261966578 553163201 /nfs/dbraw/zinc/16/32/01/553163201.db2.gz SVPQPTJCGBLVET-CYBMUJFWSA-N 1 0 392.253 2.762 20 0 GFADRO O=C(CSCc1ccc(Cl)cc1Cl)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000262066961 553165349 /nfs/dbraw/zinc/16/53/49/553165349.db2.gz OPAFRLHKRVWRKF-HNNXBMFYSA-N 1 0 388.364 2.733 20 0 GFADRO Cc1nn(-c2ccc(C(=O)NC3CC[NH2+]CC3)cc2)c(C)c1Br ZINC000262150666 553166385 /nfs/dbraw/zinc/16/63/85/553166385.db2.gz LPDGKTBDPUSZRP-UHFFFAOYSA-N 1 0 377.286 2.733 20 0 GFADRO [NH3+]CCC(=O)NC[C@H]1CCCCN1Cc1cc(Br)ccc1Cl ZINC000262148416 553166558 /nfs/dbraw/zinc/16/65/58/553166558.db2.gz ZSOBJHHYKRQSBP-CQSZACIVSA-N 1 0 388.737 2.922 20 0 GFADRO COC(=O)Cc1sc(NC(=O)[C@@H]([NH3+])CCSC)nc1-c1ccccc1 ZINC000262127304 553166583 /nfs/dbraw/zinc/16/65/83/553166583.db2.gz LWCIZBBKNJCWJU-LBPRGKRZSA-N 1 0 379.507 2.545 20 0 GFADRO [NH3+][C@H]1CCC[C@@H](C(=O)N2CCN(C(=O)c3cc4sccc4s3)CC2)C1 ZINC000262311532 553168758 /nfs/dbraw/zinc/16/87/58/553168758.db2.gz SRJIKAGHFLIPSH-OLZOCXBDSA-N 1 0 377.535 2.765 20 0 GFADRO O=C(c1csc(-c2cccc(Cl)c2)n1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000262320971 553169261 /nfs/dbraw/zinc/16/92/61/553169261.db2.gz QJSDMYVHNWNTMU-OAHLLOKOSA-N 1 0 376.913 2.583 20 0 GFADRO O=C(C[C@H]1COCC[NH2+]1)Nc1ccc(Oc2cccc(Br)c2)nc1 ZINC000262355604 553169853 /nfs/dbraw/zinc/16/98/53/553169853.db2.gz JQXCZJCJQQNPOR-AWEZNQCLSA-N 1 0 392.253 2.953 20 0 GFADRO O=C(Nc1ccc(C(=O)NC2CC[NH2+]CC2)cc1)c1ccc(Br)o1 ZINC000262510718 553171881 /nfs/dbraw/zinc/17/18/81/553171881.db2.gz NEDSNRZKRAWDCT-UHFFFAOYSA-N 1 0 392.253 2.776 20 0 GFADRO C[NH2+][C@H](C(=O)N1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1)c1cnn(C)c1 ZINC000262554146 553172564 /nfs/dbraw/zinc/17/25/64/553172564.db2.gz PEURQKHHPUUGBO-BBRMVZONSA-N 1 0 383.279 2.667 20 0 GFADRO Cc1ccc(-c2nc(NC(=O)C3(S(C)(=O)=O)CC[NH2+]CC3)sc2C)s1 ZINC000262542433 553172588 /nfs/dbraw/zinc/17/25/88/553172588.db2.gz NLCONQWFCHBAJJ-UHFFFAOYSA-N 1 0 399.563 2.594 20 0 GFADRO C[NH2+]C1CCN(C(=O)c2ccc(I)cc2Cl)CC1 ZINC000262596004 553173001 /nfs/dbraw/zinc/17/30/01/553173001.db2.gz JACDJQNWBGESSG-UHFFFAOYSA-N 1 0 378.641 2.769 20 0 GFADRO O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CCC(n2cc(Br)cn2)CC1 ZINC000262632824 553173638 /nfs/dbraw/zinc/17/36/38/553173638.db2.gz LKLDKAQIZYTLAD-LQDVMPOASA-N 1 0 381.318 2.730 20 0 GFADRO O=C(c1ccn([C@H]2CCC[NH2+]C2)n1)N1CCc2cccc(Br)c2C1 ZINC000262712881 553174036 /nfs/dbraw/zinc/17/40/36/553174036.db2.gz FXZIFJGIYUFMLR-AWEZNQCLSA-N 1 0 389.297 2.769 20 0 GFADRO CCCOc1c(Br)cc(C(=O)N[C@@H]2CC[NH2+]C[C@H]2C)cc1OC ZINC000262709141 553174240 /nfs/dbraw/zinc/17/42/40/553174240.db2.gz CEHRVZFUFPUVEY-BXUZGUMPSA-N 1 0 385.302 2.974 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)c1cc(F)c(F)cc1I ZINC000262728363 553174407 /nfs/dbraw/zinc/17/44/07/553174407.db2.gz BOQZUUWEAKXIFE-AMIZOPFISA-N 1 0 394.203 2.911 20 0 GFADRO O=C(NC[C@@H](O)c1cc(Cl)cc(Cl)c1)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000262713530 553174430 /nfs/dbraw/zinc/17/44/30/553174430.db2.gz GBDFRSJPJQDZPB-GDBMZVCRSA-N 1 0 383.279 2.578 20 0 GFADRO O=S(=O)(c1ccc(Cl)cc1Br)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262739244 553174547 /nfs/dbraw/zinc/17/45/47/553174547.db2.gz BHYZVYXQQJWJHV-MNOVXSKESA-N 1 0 379.707 2.618 20 0 GFADRO CC(=O)N[C@H](CC(=O)N1CCCC[C@H]1[C@H](C)[NH3+])c1ccc(Br)cc1 ZINC000262760924 553175019 /nfs/dbraw/zinc/17/50/19/553175019.db2.gz QSCNNYVXZYAMKI-VUCTXSBTSA-N 1 0 396.329 2.745 20 0 GFADRO C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)c1nn(-c2ccc(F)cc2)cc1Br ZINC000262757319 553175259 /nfs/dbraw/zinc/17/52/59/553175259.db2.gz HTAKAKJWJJGGPI-WDEREUQCSA-N 1 0 381.249 2.596 20 0 GFADRO COc1ccc(S(=O)(=O)N[C@]2(C[NH3+])CCCC[C@H]2C)c(Br)c1 ZINC000262770056 553175483 /nfs/dbraw/zinc/17/54/83/553175483.db2.gz LXOACMVZJZMKBR-ABAIWWIYSA-N 1 0 391.331 2.644 20 0 GFADRO C[C@H]1C[NH2+]CC[C@H]1NS(=O)(=O)c1ccc2cc(Br)ccc2c1 ZINC000262786209 553175551 /nfs/dbraw/zinc/17/55/51/553175551.db2.gz QIVJEIWJIFTTFF-MEDUHNTESA-N 1 0 383.311 2.879 20 0 GFADRO CCCC[C@@H](C[NH3+])NS(=O)(=O)c1cc(Cl)ccc1O[C@@H](C)COC ZINC000262787543 553175634 /nfs/dbraw/zinc/17/56/34/553175634.db2.gz QVBVKUUTVNMZGI-JSGCOSHPSA-N 1 0 378.922 2.550 20 0 GFADRO [NH3+]C[C@@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(Cl)cc1Br ZINC000262811824 553176368 /nfs/dbraw/zinc/17/63/68/553176368.db2.gz YICJPNWGSXESEM-JOYOIKCWSA-N 1 0 381.723 2.898 20 0 GFADRO COc1cc(Br)c(S(=O)(=O)N[C@H]2CC[NH2+][C@@H](C)C2)cc1Cl ZINC000262825589 553176928 /nfs/dbraw/zinc/17/69/28/553176928.db2.gz YFJPIADMSQTEQO-IUCAKERBSA-N 1 0 397.722 2.530 20 0 GFADRO O=C(c1ccn([C@@H]2CCC[NH2+]C2)n1)N1CCc2c(Br)cccc2C1 ZINC000262874098 553178050 /nfs/dbraw/zinc/17/80/50/553178050.db2.gz YAOOGCBDSJNXAG-CQSZACIVSA-N 1 0 389.297 2.769 20 0 GFADRO CCCN(CC(=O)Nc1ccc(Cl)cc1Cl)C(=O)C[C@H](C[NH3+])OC ZINC000262974571 553179936 /nfs/dbraw/zinc/17/99/36/553179936.db2.gz XXYRYLXEWYOLLV-GFCCVEGCSA-N 1 0 376.284 2.534 20 0 GFADRO COCC[NH+]1CCC(NC(=O)NCc2nc3cc(Cl)ccc3s2)CC1 ZINC000263680857 553190711 /nfs/dbraw/zinc/19/07/11/553190711.db2.gz DUAAFCVAXDGJMZ-UHFFFAOYSA-N 1 0 382.917 2.860 20 0 GFADRO C[C@@H](CNC(=O)CCCOc1ccc(Cl)cc1Cl)N1CC[NH+](C)CC1 ZINC000263765444 553192886 /nfs/dbraw/zinc/19/28/86/553192886.db2.gz MFZFMFMPDLSGMI-AWEZNQCLSA-N 1 0 388.339 2.905 20 0 GFADRO O=C1NC[C@H]2CN(Cc3ccc(OC(F)F)c(Br)c3)CC[C@H]12 ZINC000367922928 563859434 /nfs/dbraw/zinc/85/94/34/563859434.db2.gz DWZUIJSWFUOKMB-QWRGUYRKSA-N 1 0 375.213 2.618 20 0 GFADRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)NCc1ccc(I)cc1Cl ZINC000418131187 563899841 /nfs/dbraw/zinc/89/98/41/563899841.db2.gz XKWRMJVDLNMEOY-UFBFGSQYSA-N 1 0 393.656 2.576 20 0 GFADRO CCOCC[N@H+](CC)Cc1cc(Br)ccc1O[C@H](C)C(=O)NC ZINC000449020284 563905366 /nfs/dbraw/zinc/90/53/66/563905366.db2.gz QDCGPJWFKVAXTM-CYBMUJFWSA-N 1 0 387.318 2.821 20 0 GFADRO C[C@H](C[C@H](C)[NH3+])NC(=O)Nc1cnc(Br)c(Br)c1 ZINC000843042258 661365198 /nfs/dbraw/zinc/36/51/98/661365198.db2.gz QCLRTLAEMZATHS-NKWVEPMBSA-N 1 0 380.084 2.854 20 0 GFADRO Cc1csc(C(=O)N(CC[NH+](C)C)C2CC2)c1I ZINC000505634408 564186195 /nfs/dbraw/zinc/18/61/95/564186195.db2.gz SDESRYLXOTZMKP-UHFFFAOYSA-N 1 0 378.279 2.827 20 0 GFADRO Cc1c(Br)cccc1S(=O)(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000473948257 564259791 /nfs/dbraw/zinc/25/97/91/564259791.db2.gz FQKVJZREBVXFPR-GFCCVEGCSA-N 1 0 375.332 2.910 20 0 GFADRO C[C@@H](CNS(=O)(=O)c1cccc(Br)c1F)C[NH+]1CCCC1 ZINC000541247841 564271032 /nfs/dbraw/zinc/27/10/32/564271032.db2.gz ROBNYLUMJCHERP-NSHDSACASA-N 1 0 379.295 2.598 20 0 GFADRO C[C@H](CCc1ccc(I)cc1)[NH2+][C@H](C)CS(C)(=O)=O ZINC000474719692 564286993 /nfs/dbraw/zinc/28/69/93/564286993.db2.gz MMLDUOCKWHPALG-VXGBXAGGSA-N 1 0 395.306 2.635 20 0 GFADRO CC(=O)NCCC[N@@H+]1CC[C@@H](Cc2cccc(I)c2)C1 ZINC000451194430 564285591 /nfs/dbraw/zinc/28/55/91/564285591.db2.gz RWUQINQFWCPEKB-HNNXBMFYSA-N 1 0 386.277 2.682 20 0 GFADRO CN(C(=O)c1cc(I)ccc1F)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000474698529 564286845 /nfs/dbraw/zinc/28/68/45/564286845.db2.gz PQTONKWXDBTXEW-LBPRGKRZSA-N 1 0 388.224 2.739 20 0 GFADRO CS[C@@H](CO)[C@H](C)[NH2+]Cc1c(F)ccc(I)c1F ZINC000474815609 564290595 /nfs/dbraw/zinc/29/05/95/564290595.db2.gz JIHDMLZIWFCMSG-CPCISQLKSA-N 1 0 387.233 2.771 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)C(=O)N[C@H](C)C[N@H+](C)C(C)C ZINC000567175843 564360801 /nfs/dbraw/zinc/36/08/01/564360801.db2.gz KCNPGFIMNQMKDB-GFCCVEGCSA-N 1 0 384.318 2.795 20 0 GFADRO C[C@H](COCC(F)(F)F)[NH2+]C[C@H](O)COc1ccc(Br)cc1 ZINC000567725970 564384941 /nfs/dbraw/zinc/38/49/41/564384941.db2.gz RXAMXSJJVVCYHY-PWSUYJOCSA-N 1 0 386.208 2.746 20 0 GFADRO O=C(NC[C@@H]1CCC[N@H+]1CCCO)c1cc(Cl)c(F)cc1Br ZINC000452346986 564406574 /nfs/dbraw/zinc/40/65/74/564406574.db2.gz YEVPUGYWXIJSGT-JTQLQIEISA-N 1 0 393.684 2.818 20 0 GFADRO Cc1cc(C[NH2+]C[C@H]2CCCCN2S(C)(=O)=O)ccc1Br ZINC000513007323 564417793 /nfs/dbraw/zinc/41/77/93/564417793.db2.gz NCVKRUOQMLHGSU-CQSZACIVSA-N 1 0 375.332 2.661 20 0 GFADRO Cc1cc(Br)c(C[NH2+]C[C@H]2CCC[C@@H]2NS(C)(=O)=O)s1 ZINC000453564288 564457835 /nfs/dbraw/zinc/45/78/35/564457835.db2.gz GMOMFPOUODFDFP-PWSUYJOCSA-N 1 0 381.361 2.627 20 0 GFADRO CC(C)[N@H+](C)CCCNC(=O)C(=O)Nc1cc(Cl)cc(Br)c1 ZINC000453616827 564460201 /nfs/dbraw/zinc/46/02/01/564460201.db2.gz XLPRGWOQHDMZOA-UHFFFAOYSA-N 1 0 390.709 2.888 20 0 GFADRO C[NH+](C)CC(C)(C)CNS(=O)(=O)c1ccc(Br)c(Cl)c1 ZINC000546799002 564468352 /nfs/dbraw/zinc/46/83/52/564468352.db2.gz MYHBAPHIZLTRBM-UHFFFAOYSA-N 1 0 383.739 2.969 20 0 GFADRO C[C@@H](CNS(=O)(=O)c1c(Cl)cccc1Br)[NH+]1CCCC1 ZINC000312245805 563435771 /nfs/dbraw/zinc/43/57/71/563435771.db2.gz BGCSHPGEMLBFTO-JTQLQIEISA-N 1 0 381.723 2.865 20 0 GFADRO [NH3+]C[C@H]1CCN(C(=O)c2cccn2-c2cccc(I)c2)C1 ZINC000429072772 563509307 /nfs/dbraw/zinc/50/93/07/563509307.db2.gz DIYDRNNQVDUOEE-GFCCVEGCSA-N 1 0 395.244 2.503 20 0 GFADRO C[C@H]1C[C@@H](NS(=O)(=O)c2c(Cl)cccc2Br)CC[N@@H+]1C ZINC000383228248 563516125 /nfs/dbraw/zinc/51/61/25/563516125.db2.gz ATJSJGJGUMDBLA-UWVGGRQHSA-N 1 0 381.723 2.864 20 0 GFADRO CS(=O)(=O)CC1CCC([NH2+][C@@H]2CCN(c3ccc(Cl)cc3)C2=O)CC1 ZINC000294684114 563212670 /nfs/dbraw/zinc/21/26/70/563212670.db2.gz IEUSWYPCQXIXIO-PUJMQQBBSA-N 1 0 384.929 2.638 20 0 GFADRO C[C@H](NC(=O)N(CCC[NH3+])Cc1ccccc1)c1ncc(Br)cn1 ZINC000418208266 563213579 /nfs/dbraw/zinc/21/35/79/563213579.db2.gz CXFZCXKJAWWPND-ZDUSSCGKSA-N 1 0 392.301 2.861 20 0 GFADRO O=C(N[C@@H]1CCc2c1ccc(F)c2Br)N[C@@H]1C[NH2+]CCC1(F)F ZINC000418255073 563214632 /nfs/dbraw/zinc/21/46/32/563214632.db2.gz RIEAOPPKGCGBKU-VXGBXAGGSA-N 1 0 392.219 2.872 20 0 GFADRO C[C@H]([NH3+])C1CCN(C(=O)NCc2nc3c(cccc3Br)[nH]2)CC1 ZINC000418266656 563215070 /nfs/dbraw/zinc/21/50/70/563215070.db2.gz NDKYITWDIWHFME-JTQLQIEISA-N 1 0 380.290 2.594 20 0 GFADRO C[C@]1(CNC(=O)NCc2nc3c(cccc3Br)[nH]2)CCC[NH2+]C1 ZINC000418271741 563215109 /nfs/dbraw/zinc/21/51/09/563215109.db2.gz UNWPWCMWQZHSSR-INIZCTEOSA-N 1 0 380.290 2.514 20 0 GFADRO COCCN(Cc1ccc(Br)s1)C(=O)NC[C@@H]([NH3+])C(C)C ZINC000418411632 563217171 /nfs/dbraw/zinc/21/71/71/563217171.db2.gz QFNRVUZMAVVZMO-GFCCVEGCSA-N 1 0 378.336 2.652 20 0 GFADRO CCCC(=O)N1CSC[C@@H]1C(=O)NC[C@H]1CC[N@H+](C)[C@H]1c1cccs1 ZINC000369566988 563217292 /nfs/dbraw/zinc/21/72/92/563217292.db2.gz FZYUOPZEVBWYOG-CKEIUWERSA-N 1 0 381.567 2.559 20 0 GFADRO [NH3+]C[C@@H](NC(=O)N(Cc1cccc(Br)c1)C1CCOCC1)C1CC1 ZINC000418471666 563218070 /nfs/dbraw/zinc/21/80/70/563218070.db2.gz QQGSESXTPMSLRI-QGZVFWFLSA-N 1 0 396.329 2.877 20 0 GFADRO COCCN(Cc1sccc1Br)C(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000418573784 563220258 /nfs/dbraw/zinc/22/02/58/563220258.db2.gz LOUSHWMNPQGDCM-AAEUAGOBSA-N 1 0 390.347 2.667 20 0 GFADRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N(C)[C@@H]1CCOc2ccc(Br)cc21 ZINC000418587950 563220823 /nfs/dbraw/zinc/22/08/23/563220823.db2.gz HIMKAEDLHBEPBN-BYCMXARLSA-N 1 0 382.302 2.912 20 0 GFADRO CC[NH2+][C@H](C)CNC(=O)N1CCC(Oc2cccc(Br)c2)CC1 ZINC000418591000 563220890 /nfs/dbraw/zinc/22/08/90/563220890.db2.gz MEIZDBHNQMSOLC-CYBMUJFWSA-N 1 0 384.318 3.000 20 0 GFADRO CCN(Cc1cccc(Br)c1)C(=O)NC[C@@]1(COC)CCC[NH2+]1 ZINC000418628586 563221499 /nfs/dbraw/zinc/22/14/99/563221499.db2.gz BGAUURLFZFEEBX-QGZVFWFLSA-N 1 0 384.318 2.749 20 0 GFADRO C[C@@H](NC(=O)N1CCC(C(=O)Nc2ccc(Br)cc2)CC1)[C@H](C)[NH3+] ZINC000418691266 563221966 /nfs/dbraw/zinc/22/19/66/563221966.db2.gz DKVLJIJFUAFBJG-NWDGAFQWSA-N 1 0 397.317 2.545 20 0 GFADRO C[C@@H]([NH3+])[C@H](C)NC(=O)N1CCC(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000418691263 563222250 /nfs/dbraw/zinc/22/22/50/563222250.db2.gz DKVLJIJFUAFBJG-NEPJUHHUSA-N 1 0 397.317 2.545 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H](CNC(=O)NC[C@H](O)COc2cccc(Cl)c2Cl)C1 ZINC000418711799 563222850 /nfs/dbraw/zinc/22/28/50/563222850.db2.gz GBAYBOPCANORKW-UPJWGTAASA-N 1 0 390.311 2.550 20 0 GFADRO C[C@H]([NH3+])[C@H](C)NC(=O)N1CCC[C@@H]1c1ccccc1I ZINC000418695092 563222867 /nfs/dbraw/zinc/22/28/67/563222867.db2.gz JCVYLYUZNHLUIM-COPLHBTASA-N 1 0 387.265 2.873 20 0 GFADRO CC(C)(COc1ncccc1Br)NC(=O)NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000418728013 563223705 /nfs/dbraw/zinc/22/37/05/563223705.db2.gz QUXYFBYBGTVSMN-OLZOCXBDSA-N 1 0 399.333 2.818 20 0 GFADRO COCCN(Cc1ccc(F)cc1Cl)C(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000418742821 563224203 /nfs/dbraw/zinc/22/42/03/563224203.db2.gz CHTGJCDEZZNXIV-CQSZACIVSA-N 1 0 379.810 2.634 20 0 GFADRO COc1ccc(Br)c(CN(C)C(=O)N[C@@H]2C[NH2+]CCC2(F)F)c1 ZINC000418751136 563224443 /nfs/dbraw/zinc/22/44/43/563224443.db2.gz FIDKQADJNISXRG-CYBMUJFWSA-N 1 0 392.244 2.596 20 0 GFADRO CSC1(CNC(=O)NC[C@@H]2CC[N@H+](C)[C@H]2c2cccs2)CCOCC1 ZINC000369794048 563225019 /nfs/dbraw/zinc/22/50/19/563225019.db2.gz ZNSIYDAUDGHILX-GOEBONIOSA-N 1 0 383.583 2.952 20 0 GFADRO C[NH2+]C[C@H](C)CNC(=O)C(=O)N[C@@H](c1cccs1)c1ccc(Cl)cc1 ZINC000418765406 563225159 /nfs/dbraw/zinc/22/51/59/563225159.db2.gz PIVSDSNIPGJZJL-BLLLJJGKSA-N 1 0 379.913 2.579 20 0 GFADRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)N[C@H](CO)c2ccc(Cl)cc2C(F)(F)F)C1 ZINC000418794043 563225705 /nfs/dbraw/zinc/22/57/05/563225705.db2.gz QRKDPUIMBLQQLG-GLXFQSAKSA-N 1 0 379.810 2.819 20 0 GFADRO CCN(CCOc1ccc(Br)cc1)C(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000418788610 563225826 /nfs/dbraw/zinc/22/58/26/563225826.db2.gz KXNFOARLCBOAFX-HIFRSBDPSA-N 1 0 384.318 2.987 20 0 GFADRO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N[C@H](C)c1cc(F)c(Cl)cc1Cl ZINC000418856964 563227855 /nfs/dbraw/zinc/22/78/55/563227855.db2.gz XYKAAIVWQPCUEK-ZJUUUORDSA-N 1 0 378.275 2.799 20 0 GFADRO CN1C(=O)CSC12CC[NH+](C[C@H]1CC(c3ccc(Cl)cc3)=NO1)CC2 ZINC000369908762 563228308 /nfs/dbraw/zinc/22/83/08/563228308.db2.gz NYOCNVWFDHZLQE-OAHLLOKOSA-N 1 0 379.913 2.830 20 0 GFADRO OCCCN1CCC[C@@H]([NH2+]CC2=Cc3cc(Br)ccc3OC2)C1 ZINC000295094299 563228838 /nfs/dbraw/zinc/22/88/38/563228838.db2.gz JQRLIRXFTRPAEI-QGZVFWFLSA-N 1 0 381.314 2.661 20 0 GFADRO COc1nccc(C[NH2+]CCC(=O)Nc2cc(Br)ccc2C)n1 ZINC000295149751 563230720 /nfs/dbraw/zinc/23/07/20/563230720.db2.gz JLXUKYZVENPGNQ-UHFFFAOYSA-N 1 0 379.258 2.675 20 0 GFADRO O=C(NCCCCn1cc(Br)cn1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000370042312 563231669 /nfs/dbraw/zinc/23/16/69/563231669.db2.gz JPNIXXYLHCGICV-OAHLLOKOSA-N 1 0 398.349 2.553 20 0 GFADRO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N[C@@H](c1ccc(Br)cc1)C1CCC1 ZINC000418949683 563231930 /nfs/dbraw/zinc/23/19/30/563231930.db2.gz RYIRIJCIFFGGDK-JKSUJKDBSA-N 1 0 396.329 2.506 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)NCCCc2ccc(Cl)cc2Cl)C1 ZINC000419032172 563232667 /nfs/dbraw/zinc/23/26/67/563232667.db2.gz ARGILPCFLSAYTR-JSGCOSHPSA-N 1 0 386.323 2.628 20 0 GFADRO C[N@@H+]1CC[C@@H]2CCN(Cc3nc(Cc4cccc(Br)c4)no3)C[C@H]21 ZINC000370083348 563232626 /nfs/dbraw/zinc/23/26/26/563232626.db2.gz QPHIVSMWVJEEQV-GDBMZVCRSA-N 1 0 391.313 2.949 20 0 GFADRO COc1ccc(NC(=O)N[C@H](C)CC[NH+](C)C)c(I)c1 ZINC000277932861 563232811 /nfs/dbraw/zinc/23/28/11/563232811.db2.gz FNEIHKOAIQBNAT-SNVBAGLBSA-N 1 0 391.253 2.762 20 0 GFADRO CCCN(C(=O)C(=O)N[C@H]1CCc2c1ccc(Cl)c2Cl)[C@H]1CC[NH2+]C1 ZINC000419090435 563233183 /nfs/dbraw/zinc/23/31/83/563233183.db2.gz FJYACRDDJXLBPD-NHYWBVRUSA-N 1 0 384.307 2.697 20 0 GFADRO [NH3+][C@@H]1CCCN(C(=O)C(=O)N[C@@H](c2ccsc2)c2ccc(Cl)cc2)C1 ZINC000419123589 563233957 /nfs/dbraw/zinc/23/39/57/563233957.db2.gz HFDDBSGFNXRFDX-HZPDHXFCSA-N 1 0 377.897 2.557 20 0 GFADRO C[C@@H]1CN(C[C@@H](O)c2ccc(Cl)cc2Cl)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000370148672 563234495 /nfs/dbraw/zinc/23/44/95/563234495.db2.gz LWBVTIQZYZUARQ-MDASCCDHSA-N 1 0 386.367 2.985 20 0 GFADRO CCCN(C(=O)C(=O)N[C@H]1CCSc2ccc(Cl)cc21)[C@H]1CC[NH2+]C1 ZINC000419250018 563235224 /nfs/dbraw/zinc/23/52/24/563235224.db2.gz YULJZYMGDRDVOL-ZFWWWQNUSA-N 1 0 381.929 2.594 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)N[C@@H]2CCSc3ccc(Cl)cc32)C1 ZINC000419222071 563235581 /nfs/dbraw/zinc/23/55/81/563235581.db2.gz WJHIYTRZJVPZHB-SLEUVZQESA-N 1 0 381.929 2.579 20 0 GFADRO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1Cc1ncc(-c2ccccc2Br)o1 ZINC000419332093 563237025 /nfs/dbraw/zinc/23/70/25/563237025.db2.gz SPDMIFLYUIQKDY-KBPBESRZSA-N 1 0 394.313 2.991 20 0 GFADRO C[C@@H]1CN(Cc2cccc(Br)c2OC(F)F)[C@@H](C)C[N@@H+]1CCO ZINC000419346751 563238272 /nfs/dbraw/zinc/23/82/72/563238272.db2.gz VVTYCJFZOCLGGT-NEPJUHHUSA-N 1 0 393.272 2.937 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)C(=O)NCC(C)(C)c2ccc(Cl)c(Cl)c2)C1 ZINC000419359618 563238363 /nfs/dbraw/zinc/23/83/63/563238363.db2.gz MIPMQZSQLZIWFI-NEPJUHHUSA-N 1 0 386.323 2.583 20 0 GFADRO CC(C)CC[NH+]1CCC(CNC(=O)Cc2cc[nH]c(=O)c2Br)CC1 ZINC000278105039 563240861 /nfs/dbraw/zinc/24/08/61/563240861.db2.gz ZVACZVKCUVZXQW-UHFFFAOYSA-N 1 0 398.345 2.967 20 0 GFADRO C[C@H](CNC(=O)C(=O)NCC[C@@H]1CCC[NH2+]C1)c1c(Cl)cccc1Cl ZINC000419512836 563241132 /nfs/dbraw/zinc/24/11/32/563241132.db2.gz DUENESMLJQASMJ-OLZOCXBDSA-N 1 0 386.323 2.719 20 0 GFADRO O=C(Nc1ccc(Br)cc1)N1CCC[C@H]1C[N@H+]1CCC[C@@H]1CO ZINC000370353429 563241126 /nfs/dbraw/zinc/24/11/26/563241126.db2.gz NIALEQZMFHBGMW-JKSUJKDBSA-N 1 0 382.302 2.902 20 0 GFADRO Cc1cc(Br)ccc1CC(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000370375269 563241589 /nfs/dbraw/zinc/24/15/89/563241589.db2.gz ROHQQOQOKAAYKJ-QGZVFWFLSA-N 1 0 381.314 2.670 20 0 GFADRO C[C@@H](Cc1c(Cl)cccc1Cl)NC(=O)C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000419581769 563242427 /nfs/dbraw/zinc/24/24/27/563242427.db2.gz BUOVIWKRVQGBFR-SGTLLEGYSA-N 1 0 386.323 2.547 20 0 GFADRO CN1C(=O)N[C@@H]2C[N@@H+](CCCC(=O)c3ccc(Br)cc3)CC[C@@H]21 ZINC000295346250 563242961 /nfs/dbraw/zinc/24/29/61/563242961.db2.gz NKIZOIZBDIRPOE-CABCVRRESA-N 1 0 380.286 2.510 20 0 GFADRO O=C(NCc1cc(Cl)sc1Cl)C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000419629941 563243721 /nfs/dbraw/zinc/24/37/21/563243721.db2.gz MVLXMVCBHGNJAV-UHFFFAOYSA-N 1 0 390.336 2.662 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+][C@@H]2CCO[C@H](c3ccccc3)C2)cc1Cl ZINC000419683431 563245165 /nfs/dbraw/zinc/24/51/65/563245165.db2.gz KTFFSVVOASBSIH-WBVHZDCISA-N 1 0 380.897 2.997 20 0 GFADRO CC(C)(CNC(=O)C(=O)N1CC[C@](C)(C[NH3+])C1)c1c(Cl)cccc1Cl ZINC000419691542 563245910 /nfs/dbraw/zinc/24/59/10/563245910.db2.gz DYDMRJRULUTACX-GOSISDBHSA-N 1 0 386.323 2.585 20 0 GFADRO CC(C)(CNC(=O)C(=O)N1CC[C@@](C)(C[NH3+])C1)c1c(Cl)cccc1Cl ZINC000419691543 563245963 /nfs/dbraw/zinc/24/59/63/563245963.db2.gz DYDMRJRULUTACX-SFHVURJKSA-N 1 0 386.323 2.585 20 0 GFADRO Cc1ccc(C(C)(C)[NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)cn1 ZINC000419690949 563245968 /nfs/dbraw/zinc/24/59/68/563245968.db2.gz VTLBPSAJKRQYGZ-UHFFFAOYSA-N 1 0 398.326 2.825 20 0 GFADRO O=C(NCC1CC[NH+](C2CC2)CC1)C(=O)Nc1ccc(Br)cc1F ZINC000278235109 563246143 /nfs/dbraw/zinc/24/61/43/563246143.db2.gz SFUAXVUWXGXZFL-UHFFFAOYSA-N 1 0 398.276 2.517 20 0 GFADRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)NCC(C)(C)c1c(Cl)cccc1Cl ZINC000419698794 563246736 /nfs/dbraw/zinc/24/67/36/563246736.db2.gz UGVAWGSBUNBIPZ-BXUZGUMPSA-N 1 0 386.323 2.501 20 0 GFADRO O=C(NCc1cc(Br)c2c(c1)OCCO2)C1CC[NH+](C2CC2)CC1 ZINC000278268663 563248381 /nfs/dbraw/zinc/24/83/81/563248381.db2.gz OTRZPRHHKQKGMO-UHFFFAOYSA-N 1 0 395.297 2.711 20 0 GFADRO CC[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)N[C@H]1CCC[NH2+][C@H]1C ZINC000419755137 563249293 /nfs/dbraw/zinc/24/92/93/563249293.db2.gz PYHNWBFSYLCKMK-PEYYIBSZSA-N 1 0 386.323 2.687 20 0 GFADRO CC[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000419755917 563249624 /nfs/dbraw/zinc/24/96/24/563249624.db2.gz RFCQABPJODOFKU-GJZGRUSLSA-N 1 0 386.323 2.689 20 0 GFADRO CC[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000419755919 563249711 /nfs/dbraw/zinc/24/97/11/563249711.db2.gz RFCQABPJODOFKU-LSDHHAIUSA-N 1 0 386.323 2.689 20 0 GFADRO CC[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)N1CCC[C@H]1C[NH2+]C ZINC000419751865 563249746 /nfs/dbraw/zinc/24/97/46/563249746.db2.gz LEZBPUDHOOGBKO-GJZGRUSLSA-N 1 0 386.323 2.641 20 0 GFADRO Cc1noc(C)c1C[C@H](C)[NH2+]C1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000370616711 563250006 /nfs/dbraw/zinc/25/00/06/563250006.db2.gz VYUVXZVPEXBGDM-LBPRGKRZSA-N 1 0 383.539 2.727 20 0 GFADRO COCCO[C@@H]1C[C@H](CO)C[N@H+](CCOc2cc(Cl)ccc2Cl)C1 ZINC000278315802 563250240 /nfs/dbraw/zinc/25/02/40/563250240.db2.gz NAPFWCOERHYVNO-DZGCQCFKSA-N 1 0 378.296 2.718 20 0 GFADRO CC(C)(C[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1)c1cccnc1 ZINC000419814129 563251875 /nfs/dbraw/zinc/25/18/75/563251875.db2.gz HSNZNBKPKKEJPW-UHFFFAOYSA-N 1 0 398.326 2.559 20 0 GFADRO CC(C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)NCCC[NH2+]C1CC1 ZINC000419847443 563252323 /nfs/dbraw/zinc/25/23/23/563252323.db2.gz RHYXAUWSWTZKPC-UHFFFAOYSA-N 1 0 386.323 2.989 20 0 GFADRO COc1ccc(Br)cc1C1(C(=O)NCCNc2cc[nH+]cc2)CC1 ZINC000419857996 563252664 /nfs/dbraw/zinc/25/26/64/563252664.db2.gz KUFQITFTEPCJMO-UHFFFAOYSA-N 1 0 390.281 2.535 20 0 GFADRO O=C(NC[C@H]1CCC[C@H]1[NH+]1CCOCC1)c1cc(Br)ccc1F ZINC000370757341 563254117 /nfs/dbraw/zinc/25/41/17/563254117.db2.gz HNERROGDSJATPB-MLGOLLRUSA-N 1 0 385.277 2.819 20 0 GFADRO O=C(NC[C@@H]1CCC[C@@H]1[NH+]1CCOCC1)c1ccc(Br)cc1F ZINC000370758241 563254161 /nfs/dbraw/zinc/25/41/61/563254161.db2.gz JXUHYQNFBSODGQ-LRDDRELGSA-N 1 0 385.277 2.819 20 0 GFADRO O=C(NC[C@H]1CCC[C@H]1[NH+]1CCOCC1)c1ccc(F)cc1Br ZINC000370760554 563254691 /nfs/dbraw/zinc/25/46/91/563254691.db2.gz RUMJHSVVQQPSMU-MLGOLLRUSA-N 1 0 385.277 2.819 20 0 GFADRO O=C(/C=C/c1cc(Br)cs1)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000370778434 563254885 /nfs/dbraw/zinc/25/48/85/563254885.db2.gz GFISCXCCFZINPP-YUKKFKLSSA-N 1 0 385.327 2.893 20 0 GFADRO CN(Cc1coc(-c2ccc(I)cc2)n1)C(C)(C)C(N)=O ZINC000295598263 563254971 /nfs/dbraw/zinc/25/49/71/563254971.db2.gz CCUPSFAPSRAWAP-UHFFFAOYSA-N 1 0 399.232 2.642 20 0 GFADRO C[C@@H](Cc1ccc(Br)cc1)C(=O)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000295600645 563255848 /nfs/dbraw/zinc/25/58/48/563255848.db2.gz XBYOCNDCNSVBRX-YOEHRIQHSA-N 1 0 383.330 2.591 20 0 GFADRO O=C(c1c(Cl)cccc1Cl)N1CC[NH+](C[C@H]2CCNC(=O)CC2)CC1 ZINC000295655847 563256646 /nfs/dbraw/zinc/25/66/46/563256646.db2.gz ZSEZQFLWRUENFM-CYBMUJFWSA-N 1 0 384.307 2.668 20 0 GFADRO CC[NH+](CC)CC(=O)NCc1c(Br)cncc1Br ZINC000295647303 563256675 /nfs/dbraw/zinc/25/66/75/563256675.db2.gz GEYRFCCRAMPXIG-UHFFFAOYSA-N 1 0 379.096 2.565 20 0 GFADRO Cn1cc([C@H]2[C@H](CNC(=O)c3ccccc3Br)CCC[N@@H+]2C)cn1 ZINC000370928855 563260569 /nfs/dbraw/zinc/26/05/69/563260569.db2.gz QKYAOUBZMLMRAX-SUMWQHHRSA-N 1 0 391.313 2.996 20 0 GFADRO COC[C@]1(CNc2nnc(-c3cc(Br)ccc3C)s2)CCC[NH2+]1 ZINC000420245279 563261155 /nfs/dbraw/zinc/26/11/55/563261155.db2.gz FFBGMJJGADYMIW-MRXNPFEDSA-N 1 0 397.342 3.457 20 0 GFADRO CC(C)Cc1ncnc(N2CC[C@H](C)C[C@@H]2C[NH3+])c1I ZINC000420261427 563261394 /nfs/dbraw/zinc/26/13/94/563261394.db2.gz PXACXXANLJQLES-NWDGAFQWSA-N 1 0 388.297 2.843 20 0 GFADRO NC(=O)[C@H](c1cccc(Br)c1)N1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000420390420 563262527 /nfs/dbraw/zinc/26/25/27/563262527.db2.gz NFWUGJPOBPZXLX-BBWFWOEESA-N 1 0 392.272 2.541 20 0 GFADRO COC(=O)c1sc(S(=O)(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c(C)c1Cl ZINC000278668803 563265567 /nfs/dbraw/zinc/26/55/67/563265567.db2.gz FRUCLMQUNRUIHS-MWLCHTKSSA-N 1 0 394.946 2.600 20 0 GFADRO C[C@@H]1CCN(S(=O)(=O)Cc2ccc(Cl)cc2Br)C[C@@H]1C[NH3+] ZINC000420482090 563265832 /nfs/dbraw/zinc/26/58/32/563265832.db2.gz SFOPXBMDDTXGHK-PWSUYJOCSA-N 1 0 395.750 2.849 20 0 GFADRO C[C@@H](NC(=O)CN1CCC2(CCOC2=O)CC1)c1ccc(Br)cc1 ZINC000371152016 563266670 /nfs/dbraw/zinc/26/66/70/563266670.db2.gz SCRCXQHXCMWNPU-CYBMUJFWSA-N 1 0 395.297 2.655 20 0 GFADRO COCCn1cc(C[NH2+][C@H]2CCN(c3cccc(Br)c3)C2)cn1 ZINC000278731638 563268632 /nfs/dbraw/zinc/26/86/32/563268632.db2.gz LWNLFDSTEBUEDJ-INIZCTEOSA-N 1 0 379.302 2.661 20 0 GFADRO C[C@@H]1C[C@H](N(C)C(=O)c2ccc(I)cc2F)CC[N@@H+]1C ZINC000295958726 563269883 /nfs/dbraw/zinc/26/98/83/563269883.db2.gz UYWTWRZZFHOQIU-ZYHUDNBSSA-N 1 0 390.240 2.985 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2CC(=O)Nc1ccc(Br)cc1 ZINC000371294638 563271869 /nfs/dbraw/zinc/27/18/69/563271869.db2.gz MEKFIGUYDFSVQH-BRWVUGGUSA-N 1 0 396.329 2.571 20 0 GFADRO Brc1cc(CN2CCC[C@@H](c3nnc[nH]3)C2)cc2c1OCCO2 ZINC000371334382 563273384 /nfs/dbraw/zinc/27/33/84/563273384.db2.gz GRDCBBNGLPHOPX-GFCCVEGCSA-N 1 0 379.258 2.718 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000296096692 563274252 /nfs/dbraw/zinc/27/42/52/563274252.db2.gz GIIIKTNQTOVFED-GOOCMWNKSA-N 1 0 394.313 2.746 20 0 GFADRO C[C@H]([NH2+]C[C@H]1CCC[C@@]12NC(=O)N(C)C2=O)c1ccc(F)c(Br)c1 ZINC000371481151 563278364 /nfs/dbraw/zinc/27/83/64/563278364.db2.gz UFIDOCWLJPOPSD-GSDQYQHOSA-N 1 0 398.276 2.959 20 0 GFADRO Cc1sc(Br)nc1C(=O)NC1CC[NH+](CCOC(C)C)CC1 ZINC000278969132 563278428 /nfs/dbraw/zinc/27/84/28/563278428.db2.gz XLRFZDGQRONGIV-UHFFFAOYSA-N 1 0 390.347 2.833 20 0 GFADRO CCO[C@@H](CC[NH+](C)C)CNC(=O)c1c(F)ccc(Br)c1F ZINC000278998765 563279634 /nfs/dbraw/zinc/27/96/34/563279634.db2.gz GHZPWXFZPLDICH-JTQLQIEISA-N 1 0 379.245 2.814 20 0 GFADRO Cc1nc(-c2ccc(S(=O)(=O)N3CC[C@@H]4CC[N@@H+](C)[C@@H]4C3)s2)cs1 ZINC000371506681 563280190 /nfs/dbraw/zinc/28/01/90/563280190.db2.gz ULQHNCIGGOZAFN-GXTWGEPZSA-N 1 0 383.564 2.895 20 0 GFADRO Cc1nn(C)c(C[NH2+]C2CCN(C(=O)OC(C)(C)C)CC2)c1Br ZINC000279020573 563280580 /nfs/dbraw/zinc/28/05/80/563280580.db2.gz AIPFPSPGCPYQBW-UHFFFAOYSA-N 1 0 387.322 2.980 20 0 GFADRO Cc1ccc(NC(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c(Br)c1 ZINC000371558326 563281587 /nfs/dbraw/zinc/28/15/87/563281587.db2.gz SPRGYWQUECJJLD-JKSUJKDBSA-N 1 0 382.302 2.820 20 0 GFADRO CCOC(=O)C1(NC(=O)c2cccc(C)c2Br)CC[NH+](C)CC1 ZINC000371700898 563285236 /nfs/dbraw/zinc/28/52/36/563285236.db2.gz QZVRILPTMOGTKZ-UHFFFAOYSA-N 1 0 383.286 2.515 20 0 GFADRO CN1CC[NH+](C[C@@H]2CCCN(C(=O)c3c(F)cccc3Br)C2)CC1 ZINC000371852677 563289569 /nfs/dbraw/zinc/28/95/69/563289569.db2.gz JHPFDFFSRANMCV-AWEZNQCLSA-N 1 0 398.320 2.688 20 0 GFADRO O=C(c1ccc(Cl)cc1Cl)N1CC[NH+](C[C@@H]2CCNC(=O)CC2)CC1 ZINC000296504280 563289774 /nfs/dbraw/zinc/28/97/74/563289774.db2.gz LSXSJXHDIZRLBC-ZDUSSCGKSA-N 1 0 384.307 2.668 20 0 GFADRO C[C@@H]1C[C@H](CO)C[N@H+](C[C@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000420947073 563290851 /nfs/dbraw/zinc/29/08/51/563290851.db2.gz SUVIZGJCGYRXCF-DYEKYZERSA-N 1 0 392.721 2.793 20 0 GFADRO COC[C@H](C)OC[C@@H](O)C[N@@H+]1CCC[C@H]1Cc1ccccc1Br ZINC000420972348 563291851 /nfs/dbraw/zinc/29/18/51/563291851.db2.gz LVFXYDUAGQBQGI-XIRDDKMYSA-N 1 0 386.330 2.868 20 0 GFADRO C[C@@H]1CC[C@@H](O)C[N@@H+]1C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000420999454 563293228 /nfs/dbraw/zinc/29/32/28/563293228.db2.gz AMOIITUXOULSSI-RAIGVLPGSA-N 1 0 378.694 2.687 20 0 GFADRO Cn1cc(Br)cc(NC(=O)NCCCCC[NH+]2CCCC2)c1=O ZINC000296595597 563293726 /nfs/dbraw/zinc/29/37/26/563293726.db2.gz KPZYZBBHYZANKI-UHFFFAOYSA-N 1 0 385.306 2.535 20 0 GFADRO NC(=O)NC(=O)CCC[N@@H+]1CCCC[C@@H]1Cc1cccc(Br)c1 ZINC000421034630 563294033 /nfs/dbraw/zinc/29/40/33/563294033.db2.gz HGMYRMHYNBUJLD-OAHLLOKOSA-N 1 0 382.302 2.821 20 0 GFADRO Cc1cc(Br)cn2cc(CCNC(=O)N3CCC[C@@H](O)[C@H]3C)nc12 ZINC000296682919 563297134 /nfs/dbraw/zinc/29/71/34/563297134.db2.gz PVSJUHIFNIFYAW-IUODEOHRSA-N 1 0 395.301 2.503 20 0 GFADRO CCS(=O)(=O)c1c(Cl)cccc1C[NH2+][C@@H]1CCc2nc(C)ncc2C1 ZINC000372226652 563299983 /nfs/dbraw/zinc/29/99/83/563299983.db2.gz IBWREFXWSYFOTC-OAHLLOKOSA-N 1 0 379.913 2.879 20 0 GFADRO C[NH+](C)Cc1ccc(C(=O)NCCCCn2cc(Br)cn2)cc1 ZINC000279572576 563301389 /nfs/dbraw/zinc/30/13/89/563301389.db2.gz YXUPKRIVVDTGQA-UHFFFAOYSA-N 1 0 379.302 2.917 20 0 GFADRO COc1cc(CNC(=O)C23CCC[NH+]2CCC3)cc(Br)c1OC ZINC000279569430 563301513 /nfs/dbraw/zinc/30/15/13/563301513.db2.gz ZGVGDLPDHFRGPL-UHFFFAOYSA-N 1 0 383.286 2.711 20 0 GFADRO Cc1ccnc(-c2n[nH]c([C@@H](C)[NH2+][C@@H](C)Cn3cc(Br)cn3)n2)c1 ZINC000279617686 563303513 /nfs/dbraw/zinc/30/35/13/563303513.db2.gz YAJSVJZRAYWSMW-NWDGAFQWSA-N 1 0 390.289 2.873 20 0 GFADRO C[NH+](C)C1CCC(NC(=O)C(=O)Nc2ccc(Br)cc2F)CC1 ZINC000421291349 563305755 /nfs/dbraw/zinc/30/57/55/563305755.db2.gz XIGBNAWUCRLEOM-UHFFFAOYSA-N 1 0 386.265 2.516 20 0 GFADRO CSc1ccccc1S(=O)(=O)N(C)C1CC[NH+](C2CCOCC2)CC1 ZINC000372498969 563308309 /nfs/dbraw/zinc/30/83/09/563308309.db2.gz XYACTGUTQYXBAX-UHFFFAOYSA-N 1 0 384.567 2.672 20 0 GFADRO O=C(Nc1ccnn1Cc1ccc(Br)cc1)[C@H]1C[C@]12CC[NH2+]C2 ZINC000372504331 563308462 /nfs/dbraw/zinc/30/84/62/563308462.db2.gz PVMFDTOAGLEBPU-PBHICJAKSA-N 1 0 375.270 2.632 20 0 GFADRO Brc1cccc2c1CCN2C1CC[NH+](CCN2CCOCC2)CC1 ZINC000421369379 563308754 /nfs/dbraw/zinc/30/87/54/563308754.db2.gz BAHPQOQLSKQQMI-UHFFFAOYSA-N 1 0 394.357 2.608 20 0 GFADRO COC1([C@@H](C)[NH2+]Cc2cccc(I)c2)CCOCC1 ZINC000421406742 563309844 /nfs/dbraw/zinc/30/98/44/563309844.db2.gz URVAFUVGBMADEX-GFCCVEGCSA-N 1 0 375.250 2.965 20 0 GFADRO CN1CCC[C@@]2(CC[N@H+](C[C@H](O)COc3ccc(Cl)cc3Cl)C2)C1=O ZINC000372558969 563310711 /nfs/dbraw/zinc/31/07/11/563310711.db2.gz XAOMNCYARNZLIC-KSSFIOAISA-N 1 0 387.307 2.677 20 0 GFADRO CCC[N@H+](C)C[C@H]1CCN(S(=O)(=O)c2ccc(OC(F)F)c(F)c2)C1 ZINC000279818941 563311497 /nfs/dbraw/zinc/31/14/97/563311497.db2.gz QJPLZSDTMCBLHE-GFCCVEGCSA-N 1 0 380.432 2.780 20 0 GFADRO C[C@H](C(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1)c1ccnn1C ZINC000421461900 563312029 /nfs/dbraw/zinc/31/20/29/563312029.db2.gz CBRMCKQHTALGCW-AWEZNQCLSA-N 1 0 393.329 2.877 20 0 GFADRO C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]CC1(S(C)(=O)=O)CCC1 ZINC000279843492 563312181 /nfs/dbraw/zinc/31/21/81/563312181.db2.gz RERCZGLIJBJQGO-CQSZACIVSA-N 1 0 386.945 2.634 20 0 GFADRO COc1cc(Cl)c(S(=O)(=O)N2CC[C@H]([NH+]3CCCCC3)C2)cc1OC ZINC000279914413 563314586 /nfs/dbraw/zinc/31/45/86/563314586.db2.gz VWZODPCUKWKGAT-ZDUSSCGKSA-N 1 0 388.917 2.606 20 0 GFADRO C[C@@H]([NH2+][C@H]1CCN(CCN2CCOCC2)C1)c1ccccc1Br ZINC000372783431 563317239 /nfs/dbraw/zinc/31/72/39/563317239.db2.gz KGNNNYLCHWJWNY-CVEARBPZSA-N 1 0 382.346 2.506 20 0 GFADRO Cc1ccc(I)cc1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000297156580 563318155 /nfs/dbraw/zinc/31/81/55/563318155.db2.gz VTZTYADRRLYKMQ-AGUYFDCRSA-N 1 0 384.261 2.955 20 0 GFADRO Cc1c(Br)cccc1CC(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000372793011 563318305 /nfs/dbraw/zinc/31/83/05/563318305.db2.gz ITYAXTMAHOFETE-MRXNPFEDSA-N 1 0 381.314 2.670 20 0 GFADRO C[NH+](C)C1CCC(NC(=O)Cc2ccc(I)cc2)CC1 ZINC000421678716 563318714 /nfs/dbraw/zinc/31/87/14/563318714.db2.gz CRNYITXGLSQPOY-UHFFFAOYSA-N 1 0 386.277 2.823 20 0 GFADRO Cc1csc(C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)c1Br ZINC000372846964 563319608 /nfs/dbraw/zinc/31/96/08/563319608.db2.gz PIAPNTZMIVEDEQ-LBPRGKRZSA-N 1 0 386.359 2.717 20 0 GFADRO C[C@H]1CN(C(=O)c2cccc(Br)c2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000372856169 563320046 /nfs/dbraw/zinc/32/00/46/563320046.db2.gz IXUSGKORZJJKJP-WMLDXEAASA-N 1 0 380.330 2.547 20 0 GFADRO O=C(N[C@@H](CO)c1ccc(Br)cc1)NC1CC[NH+](C2CCC2)CC1 ZINC000297223948 563320104 /nfs/dbraw/zinc/32/01/04/563320104.db2.gz ZLVHTQLTXWOXSU-KRWDZBQOSA-N 1 0 396.329 2.799 20 0 GFADRO O=S1(=O)CC[C@]2(C1)C[C@@H]([NH2+]Cc1ccc(F)c(Cl)c1Cl)CCO2 ZINC000372876934 563320983 /nfs/dbraw/zinc/32/09/83/563320983.db2.gz KSHBNSRLAZIISR-XHDPSFHLSA-N 1 0 382.284 2.958 20 0 GFADRO Cc1cc(C[C@H](C)[NH2+][C@@H](C)c2cc(S(N)(=O)=O)c(Cl)cc2Cl)[nH]n1 ZINC000280081084 563321895 /nfs/dbraw/zinc/32/18/95/563321895.db2.gz LUBAGYVTCBXGHW-WPRPVWTQSA-N 1 0 391.324 2.954 20 0 GFADRO CN(C[C@H](O)c1ccccc1Br)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000297277081 563322320 /nfs/dbraw/zinc/32/23/20/563322320.db2.gz GJHZQYHKIXUWSW-ZACQAIPSSA-N 1 0 396.329 2.751 20 0 GFADRO Cc1cc(NC(=O)CNC(=O)C[C@@H]2CCC[NH2+]CC2)ccc1Br ZINC000372924785 563322960 /nfs/dbraw/zinc/32/29/60/563322960.db2.gz QDRJBVIRKSJEGZ-CYBMUJFWSA-N 1 0 382.302 2.592 20 0 GFADRO C[C@H](CC[NH+](C)C)NC(=O)NCc1noc(-c2cccc(Br)c2)n1 ZINC000297298052 563323159 /nfs/dbraw/zinc/32/31/59/563323159.db2.gz RCSUFGOTIVKOIK-LLVKDONJSA-N 1 0 396.289 2.639 20 0 GFADRO CC[N@H+](CCOc1ccc(Br)cc1)C[C@@H]1CCS(=O)(=O)C1 ZINC000280115453 563323138 /nfs/dbraw/zinc/32/31/38/563323138.db2.gz UWBDLHBSJLWJSA-ZDUSSCGKSA-N 1 0 376.316 2.585 20 0 GFADRO Cc1c(Br)cc(C(=O)N2CCC[C@H]([NH+]3CCCCC3)C2)c(=O)n1C ZINC000372965021 563323435 /nfs/dbraw/zinc/32/34/35/563323435.db2.gz JHDZLRKULRVFBT-AWEZNQCLSA-N 1 0 396.329 2.547 20 0 GFADRO Cc1c(C(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)cnn1-c1ccc(Br)cc1 ZINC000372956779 563323779 /nfs/dbraw/zinc/32/37/79/563323779.db2.gz MPVBPXSRQYAQEG-DYVFJYSZSA-N 1 0 389.297 2.767 20 0 GFADRO C[C@@H](CNC(=O)N1CCC(Cn2cc(Br)cn2)CC1)[N@H+](C)C1CC1 ZINC000372979539 563324142 /nfs/dbraw/zinc/32/41/42/563324142.db2.gz UKRUILJUWYOMMI-ZDUSSCGKSA-N 1 0 398.349 2.550 20 0 GFADRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)Nc1nc2cc(Br)ccn2n1 ZINC000297355355 563324287 /nfs/dbraw/zinc/32/42/87/563324287.db2.gz QOAXISVAJHUYFM-AAEUAGOBSA-N 1 0 393.289 2.582 20 0 GFADRO CCOc1cc(C[NH2+]CCNS(=O)(=O)c2cccs2)cc(Cl)c1O ZINC000297364927 563324839 /nfs/dbraw/zinc/32/48/39/563324839.db2.gz GCBMFMIYSQBVIV-UHFFFAOYSA-N 1 0 390.914 2.574 20 0 GFADRO CC[C@@H](NC[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000280187536 563326247 /nfs/dbraw/zinc/32/62/47/563326247.db2.gz CTCWGJIKJWBUJC-SUMWQHHRSA-N 1 0 385.961 2.773 20 0 GFADRO C[NH+](C)C1CCC(NC(=O)c2cc(I)ccc2O)CC1 ZINC000422013226 563327627 /nfs/dbraw/zinc/32/76/27/563327627.db2.gz WZSITIMXRCVKHL-UHFFFAOYSA-N 1 0 388.249 2.599 20 0 GFADRO O=C(N1CC[C@H]2CC[NH2+][C@@H]2C1)C1(c2ccc(Br)cc2)CCOCC1 ZINC000373065852 563327667 /nfs/dbraw/zinc/32/76/67/563327667.db2.gz LFYRESLJRVLGBB-RHSMWYFYSA-N 1 0 393.325 2.708 20 0 GFADRO CC[C@H](NC(=O)NC[C@@H](c1ccc(SC)cc1)[NH+](C)C)[C@H](O)C(F)F ZINC000297507771 563327964 /nfs/dbraw/zinc/32/79/64/563327964.db2.gz OTCILWCDWHJQRK-KKUMJFAQSA-N 1 0 375.485 2.715 20 0 GFADRO O=C(Nc1ccc(F)cc1Br)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000373079605 563328000 /nfs/dbraw/zinc/32/80/00/563328000.db2.gz XXPDBIIGBKCRTF-LSDHHAIUSA-N 1 0 386.265 2.651 20 0 GFADRO COc1ccc(S(=O)(=O)N2CCC([NH2+]CCc3cccs3)CC2)cc1 ZINC000373113427 563329337 /nfs/dbraw/zinc/32/93/37/563329337.db2.gz SVEWPWROBBABTI-UHFFFAOYSA-N 1 0 380.535 2.742 20 0 GFADRO C[C@H]1C[C@H](N(C)C(=O)C(=O)N(C)Cc2ccc(Cl)c(Cl)c2)CC[N@@H+]1C ZINC000297573811 563329857 /nfs/dbraw/zinc/32/98/57/563329857.db2.gz BEYRREBEYBSGKG-GXTWGEPZSA-N 1 0 386.323 2.893 20 0 GFADRO CC(C)[C@H]1OCCC[C@H]1C[NH2+]C1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000373141279 563330030 /nfs/dbraw/zinc/33/00/30/563330030.db2.gz PHUNWFWETJSNKY-MAUKXSAKSA-N 1 0 386.583 2.942 20 0 GFADRO C[C@@H]([NH2+]CC1(O)CCCCC1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000280291859 563331309 /nfs/dbraw/zinc/33/13/09/563331309.db2.gz ZGWFZYAEOMNOAB-SNVBAGLBSA-N 1 0 381.325 2.987 20 0 GFADRO CCN(CC)S(=O)(=O)c1ccc(CC[NH2+][C@H]2C[C@@H](C)n3ccnc32)s1 ZINC000297631666 563332064 /nfs/dbraw/zinc/33/20/64/563332064.db2.gz JHNMLXIRGSUARD-HIFRSBDPSA-N 1 0 382.555 2.813 20 0 GFADRO C[NH+]1CCC(n2ccc(NC(=O)Cc3cc(Br)ccc3F)n2)CC1 ZINC000373230716 563332446 /nfs/dbraw/zinc/33/24/46/563332446.db2.gz OADVXYSDBFSBON-UHFFFAOYSA-N 1 0 395.276 3.233 20 0 GFADRO CC(C)c1n[nH]c(C(=O)N2CC[N@@H+](C3CCOCC3)C[C@H]2C)c1Br ZINC000373247544 563332678 /nfs/dbraw/zinc/33/26/78/563332678.db2.gz ZMQBLVOUFBFZQX-GFCCVEGCSA-N 1 0 399.333 2.621 20 0 GFADRO O=S1(=O)CCCN1C1CCC([NH2+]Cc2cnc(-c3ccco3)s2)CC1 ZINC000373298611 563334075 /nfs/dbraw/zinc/33/40/75/563334075.db2.gz JQHGKUSCXYZTNA-UHFFFAOYSA-N 1 0 381.523 2.839 20 0 GFADRO O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)c1c(F)ccc(Br)c1F ZINC000373316938 563334777 /nfs/dbraw/zinc/33/47/77/563334777.db2.gz HMRVZVOTOSDZOS-NSHDSACASA-N 1 0 389.240 2.710 20 0 GFADRO CN(C)c1cc[nH+]cc1C(=O)N1CCC(n2cc(Br)cn2)CC1 ZINC000373393375 563336711 /nfs/dbraw/zinc/33/67/11/563336711.db2.gz MKBPBXHGOHQXMY-UHFFFAOYSA-N 1 0 378.274 2.584 20 0 GFADRO CC[NH+](CC)[C@@H]1CCN(C(=O)NCCCCn2cc(Br)cn2)C1 ZINC000280419679 563336747 /nfs/dbraw/zinc/33/67/47/563336747.db2.gz PILFZMLMIZZPFD-OAHLLOKOSA-N 1 0 386.338 2.552 20 0 GFADRO Cc1ccc(F)c(NC(=O)C(=O)N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c1Br ZINC000280437828 563337402 /nfs/dbraw/zinc/33/74/02/563337402.db2.gz UYRVXAHROWKIKW-MNOVXSKESA-N 1 0 398.276 2.577 20 0 GFADRO C[NH+]1CCC(O)(CNC(=O)Cc2csc3ccc(Br)cc23)CC1 ZINC000280467145 563338702 /nfs/dbraw/zinc/33/87/02/563338702.db2.gz SXILTKZVDPGZOH-UHFFFAOYSA-N 1 0 397.338 2.779 20 0 GFADRO CN(Cc1ccc(Cl)s1)C(=O)C(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000297884174 563339000 /nfs/dbraw/zinc/33/90/00/563339000.db2.gz QEJZJKYNAUNQBC-UHFFFAOYSA-N 1 0 385.961 2.940 20 0 GFADRO O=C(c1ncsc1C(F)(F)F)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000280477645 563339223 /nfs/dbraw/zinc/33/92/23/563339223.db2.gz USJKCCQHDVHDLT-UHFFFAOYSA-N 1 0 377.432 2.879 20 0 GFADRO CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000297975387 563341726 /nfs/dbraw/zinc/34/17/26/563341726.db2.gz YOBVJVOBWFECPV-UHFFFAOYSA-N 1 0 385.961 2.940 20 0 GFADRO C[C@H](NC(=O)c1csc(CC[NH3+])n1)c1nc(-c2ccc(Cl)cc2)no1 ZINC000373552760 563342248 /nfs/dbraw/zinc/34/22/48/563342248.db2.gz VWUOUMBZICBLDI-VIFPVBQESA-N 1 0 377.857 2.839 20 0 GFADRO O=S(=O)(c1ccc(Br)cc1Cl)N1CCC2(CC[NH2+]2)CC1 ZINC000422553345 563342917 /nfs/dbraw/zinc/34/29/17/563342917.db2.gz JOGDDPGPHCLECX-UHFFFAOYSA-N 1 0 379.707 2.619 20 0 GFADRO C[C@H](Cc1ccc(Br)cc1)[NH2+]C[C@H]1CCC[C@]12NC(=O)N(C)C2=O ZINC000373615408 563343639 /nfs/dbraw/zinc/34/36/39/563343639.db2.gz JFVWGYCZBZWSCF-DFHBCGBQSA-N 1 0 394.313 2.690 20 0 GFADRO COc1cc(C(=O)N2c3ccccc3C[C@H]2C[NH3+])cc(Br)c1OC ZINC000422626118 563345212 /nfs/dbraw/zinc/34/52/12/563345212.db2.gz IUXDIUGWYBLXEO-ZDUSSCGKSA-N 1 0 391.265 2.997 20 0 GFADRO C[C@@H]1CC[N@H+](CC(=O)N2CCc3sccc3[C@H]2c2cccs2)[C@@H]1CO ZINC000373655260 563345287 /nfs/dbraw/zinc/34/52/87/563345287.db2.gz WLOAAISFBYENPG-MUKKUYKPSA-N 1 0 376.547 2.986 20 0 GFADRO C[C@@H]1C[C@@H](C)N(CC(=O)Nc2c(F)cc(F)cc2Br)C[C@H]1C[NH3+] ZINC000422639407 563345385 /nfs/dbraw/zinc/34/53/85/563345385.db2.gz SSGRSWAITMPAPN-GMTAPVOTSA-N 1 0 390.272 2.971 20 0 GFADRO C[C@H]1C[N@H+](CCC(=O)Nc2ccccc2Br)C[C@@]2(CCOC2)O1 ZINC000280603501 563345952 /nfs/dbraw/zinc/34/59/52/563345952.db2.gz VJDCTCFSAFCZCF-SUMWQHHRSA-N 1 0 383.286 2.658 20 0 GFADRO COc1ccc(S(=O)(=O)N2CCC[C@H]([NH+](C)C)CC2)c(Br)c1 ZINC000280631795 563347356 /nfs/dbraw/zinc/34/73/56/563347356.db2.gz ZYTNZJVLOVBAST-LBPRGKRZSA-N 1 0 391.331 2.563 20 0 GFADRO Nc1c(Cl)cc(NC(=O)C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)cc1Cl ZINC000298249531 563348865 /nfs/dbraw/zinc/34/88/65/563348865.db2.gz TYBIJOCBHYAQPM-LBPRGKRZSA-N 1 0 385.295 2.601 20 0 GFADRO Cc1nc(SC(F)(F)F)sc1CC(=O)NCCCC[NH+]1CCOCC1 ZINC000280693279 563349969 /nfs/dbraw/zinc/34/99/69/563349969.db2.gz DOJPZGXWKJCQFR-UHFFFAOYSA-N 1 0 397.488 2.835 20 0 GFADRO C[C@H]1C[N@H+](CCC(=O)Nc2cccc(Br)c2)C[C@]2(CCOC2)O1 ZINC000373797948 563351232 /nfs/dbraw/zinc/35/12/32/563351232.db2.gz PZDKOULRCFLEBU-GUYCJALGSA-N 1 0 383.286 2.658 20 0 GFADRO C[C@H]([NH2+]C[C@H]1CCO[C@H](C)C1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000280736840 563352114 /nfs/dbraw/zinc/35/21/14/563352114.db2.gz ORZUMINZGBQRCZ-WOPDTQHZSA-N 1 0 391.331 2.562 20 0 GFADRO Cc1ccc(F)c(NC(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1Br ZINC000373835768 563353298 /nfs/dbraw/zinc/35/32/98/563353298.db2.gz INWRWJLVPKUUOV-NWDGAFQWSA-N 1 0 398.276 2.578 20 0 GFADRO CC[NH+]1CCN([C@@H]2CCN(Cc3c(F)ccc(Br)c3F)C2)CC1 ZINC000280782068 563353920 /nfs/dbraw/zinc/35/39/20/563353920.db2.gz BFLCNIJNBJRADN-CYBMUJFWSA-N 1 0 388.300 2.939 20 0 GFADRO CC1(C)CCC[NH2+][C@@H]1C(=O)Nc1ncn(Cc2cccc(Br)c2)n1 ZINC000423097878 563355283 /nfs/dbraw/zinc/35/52/83/563355283.db2.gz BQSWPSBHTCOCNO-CQSZACIVSA-N 1 0 392.301 2.806 20 0 GFADRO CCN1CC[NH+](CCCCNC(=O)COc2c(Cl)cccc2Cl)CC1 ZINC000298482428 563356560 /nfs/dbraw/zinc/35/65/60/563356560.db2.gz UPBPIVZRDNIHQM-UHFFFAOYSA-N 1 0 388.339 2.906 20 0 GFADRO COc1ccc(C[C@@H](CO)C[NH2+][C@@H](C)c2cnccc2N)cc1Br ZINC000423153892 563357079 /nfs/dbraw/zinc/35/70/79/563357079.db2.gz IJYNUJVPOYDEAN-GXTWGEPZSA-N 1 0 394.313 2.767 20 0 GFADRO CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)N1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000423184099 563358559 /nfs/dbraw/zinc/35/85/59/563358559.db2.gz MWGQJHDPAYDKDX-GXTWGEPZSA-N 1 0 386.323 2.785 20 0 GFADRO CC(C)[C@H](C(=O)N1CCN(C(=O)c2cc3sccc3s2)CC1)[C@H](C)[NH3+] ZINC000423292486 563359562 /nfs/dbraw/zinc/35/95/62/563359562.db2.gz NEPUYPACYGKCQU-LRDDRELGSA-N 1 0 379.551 2.867 20 0 GFADRO [NH3+][C@@H](CC1CCCCC1)C(=O)NC[C@H](O)COc1ccccc1Br ZINC000423254505 563359655 /nfs/dbraw/zinc/35/96/55/563359655.db2.gz YGUMXUWTZKSNDP-HOCLYGCPSA-N 1 0 399.329 2.603 20 0 GFADRO CC[C@H]([NH3+])CN[C@H](c1nccn1CC)c1ccc(I)cc1 ZINC000423480497 563361580 /nfs/dbraw/zinc/36/15/80/563361580.db2.gz WDPMGSKDNIPZGZ-GJZGRUSLSA-N 1 0 398.292 2.924 20 0 GFADRO Cc1sc2nc(CS[C@H](C)C(=O)N3CC[C@H]([NH3+])[C@@H]3C)[nH]c(=O)c2c1C ZINC000423646921 563362865 /nfs/dbraw/zinc/36/28/65/563362865.db2.gz QEYQYZFNWCPSCC-WCQGTBRESA-N 1 0 380.539 2.584 20 0 GFADRO COc1ccc(C(=O)NC2(C[NH+](C)C)CCC2)c(I)c1 ZINC000281005292 563363612 /nfs/dbraw/zinc/36/36/12/563363612.db2.gz DQYJRGDFVBUYIJ-UHFFFAOYSA-N 1 0 388.249 2.514 20 0 GFADRO C[C@H]([NH2+]CC1([S@](C)=O)CCC1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000281007308 563363833 /nfs/dbraw/zinc/36/38/33/563363833.db2.gz LDOFDNHYTWGDQP-AUADJRAKSA-N 1 0 399.365 2.593 20 0 GFADRO Cc1nc2c(s1)[C@@H]([N@H+](C)CCC(=O)Nc1sccc1C(N)=O)CCC2 ZINC000298701236 563363902 /nfs/dbraw/zinc/36/39/02/563363902.db2.gz SZHVGVLEJKTHLJ-ZDUSSCGKSA-N 1 0 378.523 2.950 20 0 GFADRO COC(=O)c1cc(NC(=O)[C@@H](C(C)C)[C@H](C)[NH3+])cc(Br)c1F ZINC000423920419 563364222 /nfs/dbraw/zinc/36/42/22/563364222.db2.gz VUUSXOMQZKDEGD-UFBFGSQYSA-N 1 0 375.238 2.933 20 0 GFADRO COCC[C@H](NC(=O)COC1CC[NH2+]CC1)c1ccc(Cl)c(Cl)c1 ZINC000423930932 563364249 /nfs/dbraw/zinc/36/42/49/563364249.db2.gz LRRVCCUELJFRMJ-INIZCTEOSA-N 1 0 375.296 2.956 20 0 GFADRO CCc1ccccc1[C@@H]([NH3+])CNC(=O)c1cc(CS(C)(=O)=O)c(C)s1 ZINC000423939733 563364294 /nfs/dbraw/zinc/36/42/94/563364294.db2.gz MKHGMKDOZNPORV-INIZCTEOSA-N 1 0 380.535 2.593 20 0 GFADRO COCC[C@H](Cc1cccc(Br)c1)C(=O)N(C)[C@@H](C[NH3+])C1CC1 ZINC000423952521 563364797 /nfs/dbraw/zinc/36/47/97/563364797.db2.gz PQILVXBPBIDZRM-WBVHZDCISA-N 1 0 383.330 2.840 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C(=O)N(C)[C@@H](C[NH3+])C1CC1 ZINC000423949345 563364804 /nfs/dbraw/zinc/36/48/04/563364804.db2.gz MNGNJAXUFZIVLB-INIZCTEOSA-N 1 0 377.286 2.753 20 0 GFADRO COc1ccc(Br)cc1C(=O)CCC(=O)N[C@@H](C[NH3+])C(C)(C)C ZINC000423948155 563365003 /nfs/dbraw/zinc/36/50/03/563365003.db2.gz KPCCJHSSYCAZPJ-HNNXBMFYSA-N 1 0 385.302 2.910 20 0 GFADRO CN(C(=O)CCc1nc(-c2cc(Br)cs2)no1)[C@@H](C[NH3+])C1CC1 ZINC000423945866 563365147 /nfs/dbraw/zinc/36/51/47/563365147.db2.gz IZKAFRJYTKFJCI-NSHDSACASA-N 1 0 399.314 2.689 20 0 GFADRO Cc1ccc(NC(=O)[C@@H](C)[NH2+]C[C@@H]2CN(C3CC3)CCO2)c(Br)c1 ZINC000374222123 563365264 /nfs/dbraw/zinc/36/52/64/563365264.db2.gz HTRHFPGUXLJPQT-UKRRQHHQSA-N 1 0 396.329 2.537 20 0 GFADRO C[C@@H]1CN(C(=O)c2[nH]nc(-c3ccccc3)c2Br)C[C@@]1(C)C[NH3+] ZINC000423981733 563366249 /nfs/dbraw/zinc/36/62/49/563366249.db2.gz HKTAZKDIMGZGLK-PIGZYNQJSA-N 1 0 377.286 2.896 20 0 GFADRO [NH3+]C[C@@H](NC(=O)c1ccn(-c2cccc(Br)c2)n1)C1CCCC1 ZINC000423969523 563366522 /nfs/dbraw/zinc/36/65/22/563366522.db2.gz VUZNZTRZCSXOTK-MRXNPFEDSA-N 1 0 377.286 2.882 20 0 GFADRO O=C(Cc1cccc(I)c1)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000423976869 563366625 /nfs/dbraw/zinc/36/66/25/563366625.db2.gz PLBWIAKJTWFSGS-GDBMZVCRSA-N 1 0 398.288 2.824 20 0 GFADRO [NH3+][C@@H]1CN(C(=O)c2[nH]nc(C3CC3)c2Br)C[C@H]1c1cccc(F)c1 ZINC000424010937 563367088 /nfs/dbraw/zinc/36/70/88/563367088.db2.gz MBCKZDGCPIMVPE-QWHCGFSZSA-N 1 0 393.260 2.756 20 0 GFADRO CC(C)(C(=O)NCCCC[NH+]1CCOCC1)c1ccccc1Br ZINC000281110776 563367112 /nfs/dbraw/zinc/36/71/12/563367112.db2.gz CIYPAZCIUPGCKL-UHFFFAOYSA-N 1 0 383.330 2.955 20 0 GFADRO CS[C@@H]1CN(C(=O)c2nc(Br)sc2C)C[C@H]1[NH+]1CCCC1 ZINC000298829771 563367382 /nfs/dbraw/zinc/36/73/82/563367382.db2.gz CFJMRVILNSAUCW-GHMZBOCLSA-N 1 0 390.372 2.866 20 0 GFADRO O=C(CNCc1cc(O)ccc1Br)N[C@H]1CCOc2ccccc21 ZINC000374334743 563368398 /nfs/dbraw/zinc/36/83/98/563368398.db2.gz VWWFCYOZISNMKK-INIZCTEOSA-N 1 0 391.265 2.884 20 0 GFADRO O=C(c1ccc(I)cc1Cl)N1CCC2(CC[NH2+]2)CC1 ZINC000424057254 563368544 /nfs/dbraw/zinc/36/85/44/563368544.db2.gz SYGHPFVPNNOKMI-UHFFFAOYSA-N 1 0 390.652 2.913 20 0 GFADRO COCCCNC(=O)C1CC[NH+](CCOc2cccc(Br)c2)CC1 ZINC000298859842 563369076 /nfs/dbraw/zinc/36/90/76/563369076.db2.gz RMUMGLTUCFYYFZ-UHFFFAOYSA-N 1 0 399.329 2.693 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000424088462 563370133 /nfs/dbraw/zinc/37/01/33/563370133.db2.gz JFYRSAOHKBNVSQ-ZDUSSCGKSA-N 1 0 378.274 2.780 20 0 GFADRO CS(=O)(=O)CCCC[NH2+]Cc1cc(Cl)ccc1OC[C@@H]1CCCO1 ZINC000424173738 563372218 /nfs/dbraw/zinc/37/22/18/563372218.db2.gz QCDTZSFRQYXWMA-INIZCTEOSA-N 1 0 375.918 2.812 20 0 GFADRO Cc1nc(N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)sc1S(N)(=O)=O ZINC000374538509 563375029 /nfs/dbraw/zinc/37/50/29/563375029.db2.gz RDRHWOFGWQJHSX-IUODEOHRSA-N 1 0 380.539 2.564 20 0 GFADRO CCCOc1ccc(Br)cc1CN1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424377578 563377426 /nfs/dbraw/zinc/37/74/26/563377426.db2.gz MHKSQDSKCKCQIE-DLBZAZTESA-N 1 0 393.329 2.898 20 0 GFADRO C[N@@H+]1CCC[C@H]2CN(S(=O)(=O)c3cc4c(cc3Cl)CCC4=O)CC[C@@H]21 ZINC000374595015 563377441 /nfs/dbraw/zinc/37/74/41/563377441.db2.gz RRWRDRPFTXJDRD-BBRMVZONSA-N 1 0 382.913 2.574 20 0 GFADRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C2(c3cncc(Br)c3)CC2)C1 ZINC000281443386 563377667 /nfs/dbraw/zinc/37/76/67/563377667.db2.gz HHAGFIBYJDKYFW-XJKSGUPXSA-N 1 0 378.314 2.818 20 0 GFADRO CS(=O)(=O)c1cc(C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c(Cl)cc1Cl ZINC000374612755 563378222 /nfs/dbraw/zinc/37/82/22/563378222.db2.gz POHNPHHHRBFUPV-DRCTWCGVSA-N 1 0 391.320 2.596 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)c3cc(=O)[nH]c4c(Br)cccc34)C[C@H]21 ZINC000374614320 563378281 /nfs/dbraw/zinc/37/82/81/563378281.db2.gz UTMPPEOYMNIRBB-WDBKCZKBSA-N 1 0 390.281 2.902 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C[C@@H]3Sc4ccc(Cl)cc4NC3=O)C[C@@H]21 ZINC000374646660 563378679 /nfs/dbraw/zinc/37/86/79/563378679.db2.gz QUPDDWYWCVHOJH-HBCZOZSTSA-N 1 0 379.913 2.729 20 0 GFADRO COCCOc1ccc(Br)cc1NC(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000424419289 563378898 /nfs/dbraw/zinc/37/88/98/563378898.db2.gz RLPIQVSZKGUGIA-CHWSQXEVSA-N 1 0 386.290 2.866 20 0 GFADRO COC(=O)c1cc(Br)c(F)cc1NC(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000424419894 563379025 /nfs/dbraw/zinc/37/90/25/563379025.db2.gz SWRAZAYQQJHCPU-VXGBXAGGSA-N 1 0 388.237 2.766 20 0 GFADRO C[C@@H](CNC(=O)C[C@](O)(c1nc2ccccc2s1)C(F)(F)F)[NH+](C)C ZINC000299273694 563379754 /nfs/dbraw/zinc/37/97/54/563379754.db2.gz WBNFIIYDDRFULP-BONVTDFDSA-N 1 0 375.416 2.503 20 0 GFADRO C[N@@H+]1CC[C@H]2CCN(C(=O)c3cc(=O)[nH]c4ccc(Br)cc43)[C@@H]2C1 ZINC000374882008 563385091 /nfs/dbraw/zinc/38/50/91/563385091.db2.gz PAGQOKJUJACOJA-MEDUHNTESA-N 1 0 390.281 2.869 20 0 GFADRO O=S(=O)(NC[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(Cl)cc1Br ZINC000281736272 563385596 /nfs/dbraw/zinc/38/55/96/563385596.db2.gz DDDSMCDRQRYQHH-SNVBAGLBSA-N 1 0 393.734 2.865 20 0 GFADRO C[C@@H](NC(=O)[C@]1([NH+](C)C)CCCSC1)C1CCN(CC(F)(F)F)CC1 ZINC000374999456 563386962 /nfs/dbraw/zinc/38/69/62/563386962.db2.gz DBDTYQPOFSNSFE-CJNGLKHVSA-N 1 0 381.508 2.593 20 0 GFADRO C[N@@H+]1CC[C@@H]2CCN(CCC(=O)Nc3ccc(Br)cc3F)C[C@H]21 ZINC000375033989 563388999 /nfs/dbraw/zinc/38/89/99/563388999.db2.gz BRLQXGQKYFWJGB-MLGOLLRUSA-N 1 0 384.293 2.943 20 0 GFADRO [NH3+]CC[C@@H]1CCCN(C(=O)c2ccc(I)c(F)c2)C1 ZINC000281939052 563391178 /nfs/dbraw/zinc/39/11/78/563391178.db2.gz LAPGOZUTGAFYJR-JTQLQIEISA-N 1 0 376.213 2.631 20 0 GFADRO CC(C)OCC[NH+]1CCN(c2ncnc3ccc(Br)cc32)CC1 ZINC000301067424 563392085 /nfs/dbraw/zinc/39/20/85/563392085.db2.gz DLAMHMATEAXSQT-UHFFFAOYSA-N 1 0 379.302 2.939 20 0 GFADRO CCN(CC)S(=O)(=O)c1ccc(CC[NH2+][C@H](C)c2cc(C)n(C)n2)s1 ZINC000282084780 563396767 /nfs/dbraw/zinc/39/67/67/563396767.db2.gz HUUKLVFYUOSEDW-CQSZACIVSA-N 1 0 384.571 2.714 20 0 GFADRO CC[NH+](CC)Cc1cccc(CNc2cnn(C)c(=O)c2Br)c1 ZINC000301265852 563398488 /nfs/dbraw/zinc/39/84/88/563398488.db2.gz WMDHQYRMYGPNME-UHFFFAOYSA-N 1 0 379.302 2.997 20 0 GFADRO Cc1[nH+]c2ccc(Br)cc2c(NCCCNS(C)(=O)=O)c1C ZINC000301366811 563401306 /nfs/dbraw/zinc/40/13/06/563401306.db2.gz NXKJFXQTEKBNDE-UHFFFAOYSA-N 1 0 386.315 2.965 20 0 GFADRO C[N@H+](Cc1cc(=O)n2nccc2[nH]1)[C@H]1CCOc2ccc(Br)cc21 ZINC000375352792 563401345 /nfs/dbraw/zinc/40/13/45/563401345.db2.gz MBVOMGQLUDSIAE-AWEZNQCLSA-N 1 0 389.253 2.741 20 0 GFADRO C[C@H](CNc1ccc(S(N)(=O)=O)cc1C(F)(F)F)[N@@H+]1CCC[C@H](C)C1 ZINC000301373553 563401589 /nfs/dbraw/zinc/40/15/89/563401589.db2.gz QNEXVKPTHBJBOH-NWDGAFQWSA-N 1 0 379.448 2.885 20 0 GFADRO O=C(COc1ccc(Br)cc1F)NCc1cnc2n1CCCC2 ZINC000375388137 563402490 /nfs/dbraw/zinc/40/24/90/563402490.db2.gz PHHGUFNXVTVMEI-UHFFFAOYSA-N 1 0 382.233 2.816 20 0 GFADRO COc1ccc(CN2C[C@@H](C(N)=O)[C@H](C(F)(F)F)C2)cc1Br ZINC000375404062 563403302 /nfs/dbraw/zinc/40/33/02/563403302.db2.gz NAPGOSVOTOLRGR-NXEZZACHSA-N 1 0 381.192 2.553 20 0 GFADRO C[C@@H]1CCN(c2cnn(C)c(=O)c2Br)CC[N@@H+]1Cc1ccccc1 ZINC000301444388 563403592 /nfs/dbraw/zinc/40/35/92/563403592.db2.gz NQCDPSBGHNVZEF-CQSZACIVSA-N 1 0 391.313 2.644 20 0 GFADRO C[C@H](CO)[N@@H+]1CCCN(CC(=O)N[C@@H](C)c2ccc(Cl)c(Cl)c2)CC1 ZINC000375481205 563406334 /nfs/dbraw/zinc/40/63/34/563406334.db2.gz DUPRBIXUGUWEDQ-KGLIPLIRSA-N 1 0 388.339 2.559 20 0 GFADRO C[C@H](CO)[N@@H+]1CCCN(C(=O)Cc2csc(-c3ccc(Cl)s3)n2)CC1 ZINC000375493924 563407393 /nfs/dbraw/zinc/40/73/93/563407393.db2.gz DKGYQMBXNKEMSV-GFCCVEGCSA-N 1 0 399.969 2.983 20 0 GFADRO NC(=O)[C@]1(O)CCCN(Cc2nc(-c3cc(Cl)ccc3Cl)cs2)C1 ZINC000375521273 563408313 /nfs/dbraw/zinc/40/83/13/563408313.db2.gz CLSGIKSSEQVCJL-INIZCTEOSA-N 1 0 386.304 2.929 20 0 GFADRO C[NH+]1CCC(O)(CNC(=O)C(C)(C)c2csc(-c3cccs3)n2)CC1 ZINC000282412727 563410651 /nfs/dbraw/zinc/41/06/51/563410651.db2.gz IEDACACQXIPGDI-UHFFFAOYSA-N 1 0 379.551 2.722 20 0 GFADRO Cc1cnc(NCCCC[NH+]2CCOCC2)c(I)c1 ZINC000425209824 563411237 /nfs/dbraw/zinc/41/12/37/563411237.db2.gz SFISNPMQUSETLH-UHFFFAOYSA-N 1 0 375.254 2.519 20 0 GFADRO Cc1nn(C(C)C)cc1C[NH2+]C[C@H]1CCN(S(=O)(=O)c2cccs2)C1 ZINC000375738595 563415920 /nfs/dbraw/zinc/41/59/20/563415920.db2.gz PVDIGMDVWHIZEE-OAHLLOKOSA-N 1 0 382.555 2.634 20 0 GFADRO Cc1nn(C(C)C)cc1C[NH2+]C[C@@H]1CCN(S(=O)(=O)c2cccs2)C1 ZINC000375738594 563416077 /nfs/dbraw/zinc/41/60/77/563416077.db2.gz PVDIGMDVWHIZEE-HNNXBMFYSA-N 1 0 382.555 2.634 20 0 GFADRO CC(C)n1cncc1CN1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000425319511 563417851 /nfs/dbraw/zinc/41/78/51/563417851.db2.gz CQZYTGVVUXKKIM-UHFFFAOYSA-N 1 0 388.946 2.685 20 0 GFADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)C(C)(C)c1csc(-c2cccs2)n1 ZINC000282724385 563422348 /nfs/dbraw/zinc/42/23/48/563422348.db2.gz MESAOORLRKSQRN-CYBMUJFWSA-N 1 0 378.567 2.511 20 0 GFADRO COc1ccc(Cl)cc1S(=O)(=O)N1CCN(c2cc[nH+]c(C)c2)CC1 ZINC000302441000 563425429 /nfs/dbraw/zinc/42/54/29/563425429.db2.gz MEOPIPURUMVGFH-UHFFFAOYSA-N 1 0 381.885 2.563 20 0 GFADRO COC(=O)[C@@H]1C[N@H+](CCn2ccnc2C)C[C@H]1c1ccc(Br)cc1 ZINC000425505669 563425555 /nfs/dbraw/zinc/42/55/55/563425555.db2.gz BWHYIZNTEJQNRK-DLBZAZTESA-N 1 0 392.297 2.843 20 0 GFADRO C[C@@H](CO)[NH2+]Cc1cc(I)c(Br)cc1F ZINC000309084242 563435052 /nfs/dbraw/zinc/43/50/52/563435052.db2.gz VAFLSBXDJUTAAO-LURJTMIESA-N 1 0 388.018 2.663 20 0 GFADRO Cc1ccc(CN2C(=O)N[C@]3(CCCC[C@H]3C[NH3+])C2=O)cc1Br ZINC000314575864 563439076 /nfs/dbraw/zinc/43/90/76/563439076.db2.gz PPHHONYGTRMDOW-GUYCJALGSA-N 1 0 380.286 2.697 20 0 GFADRO COC(=O)CNC(=O)[C@@H](C)[NH+]1CCC(c2ccc(Br)c(C)c2)CC1 ZINC000425919161 563440601 /nfs/dbraw/zinc/44/06/01/563440601.db2.gz OBRNJPCWVFSWJS-CYBMUJFWSA-N 1 0 397.313 2.615 20 0 GFADRO CCS(=O)(=O)NCC[NH+]1CCC(c2ccc(Br)c(C)c2)CC1 ZINC000425918394 563440755 /nfs/dbraw/zinc/44/07/55/563440755.db2.gz NKIIDCILSZKFQK-UHFFFAOYSA-N 1 0 389.359 2.876 20 0 GFADRO O=S(=O)(c1ccc(Br)c(F)c1)N1CCCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000318315768 563443015 /nfs/dbraw/zinc/44/30/15/563443015.db2.gz PCWVWIQZSSIUPB-CABCVRRESA-N 1 0 391.306 2.883 20 0 GFADRO COc1ccc(C[NH2+][C@H]2CCCc3c2cnn3CCO)cc1Br ZINC000319862650 563445632 /nfs/dbraw/zinc/44/56/32/563445632.db2.gz UYTZLFSCELICQM-HNNXBMFYSA-N 1 0 380.286 2.814 20 0 GFADRO COCC(=O)N1CCC([NH2+][C@@H](C)c2ccc(OC)c(Br)c2)CC1 ZINC000319986445 563445817 /nfs/dbraw/zinc/44/58/17/563445817.db2.gz XVAYPVXWAHAAGG-LBPRGKRZSA-N 1 0 385.302 2.746 20 0 GFADRO CC[N@@H+]1CCCN(C(=O)C(=O)Nc2cc(C)c(Br)c(C)c2)CC1 ZINC000426176681 563445810 /nfs/dbraw/zinc/44/58/10/563445810.db2.gz OKXMLQWYIXOBCC-UHFFFAOYSA-N 1 0 382.302 2.559 20 0 GFADRO Cc1cc(NC(=O)C(=O)N2CC[N@@H+](C)CC[C@@H]2C)cc(C)c1Br ZINC000426214914 563446785 /nfs/dbraw/zinc/44/67/85/563446785.db2.gz QANCIDRQUQWHCL-ZDUSSCGKSA-N 1 0 382.302 2.557 20 0 GFADRO OCC[C@@H]1CCC[N@@H+]1CCCOc1cccc(I)c1 ZINC000426218354 563447206 /nfs/dbraw/zinc/44/72/06/563447206.db2.gz SREOVRZVVWZXJZ-AWEZNQCLSA-N 1 0 375.250 2.907 20 0 GFADRO [NH3+]C[C@@H]1CCCC[C@]12NC(=O)N(Cc1ccc(F)c(Br)c1)C2=O ZINC000321426187 563447905 /nfs/dbraw/zinc/44/79/05/563447905.db2.gz LYWUEQVHGVFMCT-ZBEGNZNMSA-N 1 0 384.249 2.528 20 0 GFADRO COc1ccc(CN2CCC[C@H](S(N)(=O)=O)C2)cc1SC(F)(F)F ZINC000376616392 563447985 /nfs/dbraw/zinc/44/79/85/563447985.db2.gz XBYJNIIPJXIFHD-NSHDSACASA-N 1 0 384.445 2.560 20 0 GFADRO CC(C)[C@H]([NH3+])c1cn(CC(=O)N[C@H](C)c2ccc(Br)cc2)nn1 ZINC000321843630 563448682 /nfs/dbraw/zinc/44/86/82/563448682.db2.gz FRQBCNGGLGBMJL-BZNIZROVSA-N 1 0 380.290 2.574 20 0 GFADRO CSCC[C@@H](C)N(C)C(=O)C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000283650533 563450657 /nfs/dbraw/zinc/45/06/57/563450657.db2.gz YYEYXZXBAKGFSA-HUUCEWRRSA-N 1 0 383.583 2.601 20 0 GFADRO C[C@H]1CN(Cc2cccc(Br)c2OC(F)F)CC[N@@H+]1CCO ZINC000426488171 563452196 /nfs/dbraw/zinc/45/21/96/563452196.db2.gz USHGBTYSMSDDBB-NSHDSACASA-N 1 0 379.245 2.549 20 0 GFADRO O=S1(=O)CC[C@H]([NH2+]C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)C1 ZINC000376800025 563454834 /nfs/dbraw/zinc/45/48/34/563454834.db2.gz WZGNGSWMGWXUSO-AWEZNQCLSA-N 1 0 377.337 2.735 20 0 GFADRO O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000326729148 563455754 /nfs/dbraw/zinc/45/57/54/563455754.db2.gz DQUPPXPKHULRTG-SWLSCSKDSA-N 1 0 378.416 2.738 20 0 GFADRO Cc1ccc(S(=O)(=O)N2C[C@@H](C[NH+](C)C)Oc3ccccc32)c(Cl)n1 ZINC000377024289 563461526 /nfs/dbraw/zinc/46/15/26/563461526.db2.gz GFBXLBRRBATTTK-CYBMUJFWSA-N 1 0 381.885 2.561 20 0 GFADRO CC[N@H+](CCNC(=O)c1c[nH]c(=O)c(Br)c1)CCC(F)(F)F ZINC000427265911 563463943 /nfs/dbraw/zinc/46/39/43/563463943.db2.gz FQUKJTXPXCRNLC-UHFFFAOYSA-N 1 0 384.196 2.554 20 0 GFADRO CC[NH+]1CCN(CCNC(=O)c2cc(Cl)cc(F)c2Br)CC1 ZINC000284250060 563468584 /nfs/dbraw/zinc/46/85/84/563468584.db2.gz GFOMUGMMLLFFMI-UHFFFAOYSA-N 1 0 392.700 2.609 20 0 GFADRO C[C@@H]1CN(C(=O)Cc2ccccc2Br)CCN1C1CC[NH+](C)CC1 ZINC000377260410 563469479 /nfs/dbraw/zinc/46/94/79/563469479.db2.gz YKUUHUQBANQSKZ-OAHLLOKOSA-N 1 0 394.357 2.619 20 0 GFADRO CCC(C)(C)[NH2+][C@@H](C)C(=O)N(CCO)Cc1cc(Br)cs1 ZINC000427586166 563470153 /nfs/dbraw/zinc/47/01/53/563470153.db2.gz JMRVQOGVCKBMEJ-NSHDSACASA-N 1 0 377.348 2.998 20 0 GFADRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)c1cc(I)ccc1Cl ZINC000427594253 563470240 /nfs/dbraw/zinc/47/02/40/563470240.db2.gz XGFHEFJNXAIUMQ-QPUJVOFHSA-N 1 0 378.641 2.672 20 0 GFADRO Cc1[nH]c(=O)c(Br)cc1C(=O)N1CC[N@@H+](C)CC12CCCCC2 ZINC000329184859 563474647 /nfs/dbraw/zinc/47/46/47/563474647.db2.gz PHFZKKXIBPHOGE-UHFFFAOYSA-N 1 0 382.302 2.949 20 0 GFADRO COC(=O)c1ccc(CN2CCS[C@@H]3COCC[C@@H]32)c(Br)c1 ZINC000284457285 563475326 /nfs/dbraw/zinc/47/53/26/563475326.db2.gz UTNBXBNXYRURQO-LSDHHAIUSA-N 1 0 386.311 2.942 20 0 GFADRO Brc1cnn(Cc2cnc(N3CCC[N@@H+]4CCC[C@H]4C3)s2)c1 ZINC000377468422 563475914 /nfs/dbraw/zinc/47/59/14/563475914.db2.gz NQZYJEAUXBGMPM-ZDUSSCGKSA-N 1 0 382.331 2.825 20 0 GFADRO COCCN(Cc1cc(Br)cs1)C(=O)C1CC[NH+](C)CC1 ZINC000427801070 563476045 /nfs/dbraw/zinc/47/60/45/563476045.db2.gz BAKVNIDKYICYHO-UHFFFAOYSA-N 1 0 375.332 2.827 20 0 GFADRO COC(=O)CC[C@H]([NH3+])C(=O)N1CCC(C)(c2cccc(Br)c2)CC1 ZINC000377498732 563476855 /nfs/dbraw/zinc/47/68/55/563476855.db2.gz ZFNIFEAUGPNKKV-HNNXBMFYSA-N 1 0 397.313 2.610 20 0 GFADRO Cc1ccc(C[C@@H](C)NC(=O)C(=O)NC[C@H](c2cccs2)[NH+](C)C)s1 ZINC000284506596 563478030 /nfs/dbraw/zinc/47/80/30/563478030.db2.gz SMFVETQUDNAEQH-IUODEOHRSA-N 1 0 379.551 2.584 20 0 GFADRO C[N@@H+](Cc1cnc(-c2ccc(Cl)cc2)s1)C[C@H](O)CN1CCOCC1 ZINC000284525207 563478663 /nfs/dbraw/zinc/47/86/63/563478663.db2.gz ZMFCIYSVVWXJII-INIZCTEOSA-N 1 0 381.929 2.588 20 0 GFADRO CN(C(=O)c1cc(Br)ccc1F)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000377638463 563481861 /nfs/dbraw/zinc/48/18/61/563481861.db2.gz BXNWXHLHJDQXOD-HNNXBMFYSA-N 1 0 398.320 2.829 20 0 GFADRO C[C@H](CC[NH2+]Cc1c(Br)cncc1Br)[S@](C)=O ZINC000394554311 563530380 /nfs/dbraw/zinc/53/03/80/563530380.db2.gz GFJPOPZXDHBPGC-RBHXEPJQSA-N 1 0 384.137 2.853 20 0 GFADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]Cc1ccccc1-n1ccnc1 ZINC000428241281 563486286 /nfs/dbraw/zinc/48/62/86/563486286.db2.gz DXXMSQFVXHEKHJ-CQSZACIVSA-N 1 0 387.281 2.975 20 0 GFADRO Cn1nccc1[C@H]1[C@H]([NH2+]Cc2cc(Br)ccc2F)CCC(=O)N1C ZINC000284678117 563486333 /nfs/dbraw/zinc/48/63/33/563486333.db2.gz WZJPXWNLKTZEMW-RHSMWYFYSA-N 1 0 395.276 2.773 20 0 GFADRO COc1cc(C(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)cc(OC)c1Br ZINC000377802153 563487056 /nfs/dbraw/zinc/48/70/56/563487056.db2.gz GLGSKYVOKSFTNP-ZDUSSCGKSA-N 1 0 397.313 2.928 20 0 GFADRO COc1cc(C(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)cc(OC)c1Br ZINC000377802152 563487186 /nfs/dbraw/zinc/48/71/86/563487186.db2.gz GLGSKYVOKSFTNP-CYBMUJFWSA-N 1 0 397.313 2.928 20 0 GFADRO Cc1cc(Br)cc(CN2CC[N@H+](CCO)[C@@H](C)C2)c1OC(F)F ZINC000428472003 563493138 /nfs/dbraw/zinc/49/31/38/563493138.db2.gz DLGJNQIPPJAPSP-LBPRGKRZSA-N 1 0 393.272 2.857 20 0 GFADRO Cc1nn(C)c2ncc(C[NH2+]Cc3ccc(S(C)(=O)=O)c(Cl)c3)cc12 ZINC000428547558 563495795 /nfs/dbraw/zinc/49/57/95/563495795.db2.gz PNSUICZIMQEUOV-UHFFFAOYSA-N 1 0 378.885 2.623 20 0 GFADRO Cc1nc(-c2ccc(S(=O)(=O)N[C@@H]3CN(C4CC4)C[C@@H]3C)s2)cs1 ZINC000330146790 563497140 /nfs/dbraw/zinc/49/71/40/563497140.db2.gz LPAABDKPQUNHBY-GXFFZTMASA-N 1 0 383.564 2.941 20 0 GFADRO O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)c1cc2c(cccc2Br)[nH]1 ZINC000378194794 563498499 /nfs/dbraw/zinc/49/84/99/563498499.db2.gz OEIPXELTOVOILL-ZDUSSCGKSA-N 1 0 392.297 2.914 20 0 GFADRO COc1ccc(Br)c(C(=O)N2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)c1 ZINC000378226674 563498863 /nfs/dbraw/zinc/49/88/63/563498863.db2.gz VWNJLAVJUOTCHE-JCURWCKSSA-N 1 0 397.313 2.781 20 0 GFADRO CC(C)[NH+]1CCN(C(=O)Nc2ccc(F)cc2I)CC1 ZINC000428768368 563501556 /nfs/dbraw/zinc/50/15/56/563501556.db2.gz AOKUSMMDLLWHCT-UHFFFAOYSA-N 1 0 391.228 2.988 20 0 GFADRO C[C@@H]1CN(C(=O)c2cc(Br)ccc2F)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000378313174 563502007 /nfs/dbraw/zinc/50/20/07/563502007.db2.gz JMLRTBBSVGCVBZ-CXAGYDPISA-N 1 0 398.320 2.686 20 0 GFADRO C[C@H](c1ccccc1)[C@@H]([NH2+]CC(=O)N(C)Cc1ccc(Cl)s1)C(N)=O ZINC000428847719 563503408 /nfs/dbraw/zinc/50/34/08/563503408.db2.gz VTXDPGKKJFWMNE-SJKOYZFVSA-N 1 0 379.913 2.607 20 0 GFADRO Cc1ccc(C[NH+]2CCC([C@@]3(C)NC(=O)NC3=O)CC2)cc1Br ZINC000378343141 563503750 /nfs/dbraw/zinc/50/37/50/563503750.db2.gz RNTLZFYXQPOCSJ-QGZVFWFLSA-N 1 0 380.286 2.568 20 0 GFADRO CC[NH+]1CCC(N(C(=O)c2cnn3cc(Br)cnc23)C2CC2)CC1 ZINC000378366856 563504532 /nfs/dbraw/zinc/50/45/32/563504532.db2.gz PNZVWPQPUSFARG-UHFFFAOYSA-N 1 0 392.301 2.581 20 0 GFADRO Cc1cc(N(C)C)nc(NCc2ncc(I)s2)[nH+]1 ZINC000285140616 563504816 /nfs/dbraw/zinc/50/48/16/563504816.db2.gz JZYJAHBGTOGHEL-UHFFFAOYSA-N 1 0 375.239 2.524 20 0 GFADRO Brc1cc2cccnc2c(CN2CC[NH+]([C@H]3CCOC3)CC2)c1 ZINC000378399421 563505229 /nfs/dbraw/zinc/50/52/29/563505229.db2.gz ROGKQQSAJONMKR-KRWDZBQOSA-N 1 0 376.298 2.904 20 0 GFADRO C[C@H](NC(=O)c1cc(=O)[nH]c2c(Br)cccc12)[C@H]1CCC[NH2+]C1 ZINC000428976298 563505419 /nfs/dbraw/zinc/50/54/19/563505419.db2.gz LHPWIGZIYSWEMV-QWRGUYRKSA-N 1 0 378.270 2.821 20 0 GFADRO CC(=O)Nc1ccc(S(=O)(=O)N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)cc1Cl ZINC000285193856 563507406 /nfs/dbraw/zinc/50/74/06/563507406.db2.gz CNEVNSFUZMEHFR-JSGCOSHPSA-N 1 0 385.917 2.546 20 0 GFADRO Cc1ccccc1OC[C@H](O)C[NH2+][C@H](CO)c1ccc(Br)c(F)c1 ZINC000429017143 563507969 /nfs/dbraw/zinc/50/79/69/563507969.db2.gz CIVREDGYQZDPKL-RHSMWYFYSA-N 1 0 398.272 2.960 20 0 GFADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)c3csc(I)c3)[C@@H]2C1 ZINC000378489973 563509376 /nfs/dbraw/zinc/50/93/76/563509376.db2.gz BYMCSZBPEHEYLA-MWLCHTKSSA-N 1 0 376.263 2.519 20 0 GFADRO CC(C)[C@H]([NH3+])CNC(=O)c1nnn(-c2ccc(Br)cc2)c1C1CC1 ZINC000429134461 563511171 /nfs/dbraw/zinc/51/11/71/563511171.db2.gz KDSVQONCARSEGB-CQSZACIVSA-N 1 0 392.301 2.620 20 0 GFADRO Cc1cc(Br)c(F)cc1NC(=O)N1CC[N@@H+](C[C@@H](C)O)C[C@H]1C ZINC000285265829 563511924 /nfs/dbraw/zinc/51/19/24/563511924.db2.gz SGDHEHLVOGAFDC-VXGBXAGGSA-N 1 0 388.281 2.815 20 0 GFADRO Oc1cccc2c1C[C@@H]([NH2+]C[C@@H](O)COc1cccc(Br)c1)C2 ZINC000429229037 563512190 /nfs/dbraw/zinc/51/21/90/563512190.db2.gz VMJHANFHNHDIFP-LSDHHAIUSA-N 1 0 378.266 2.651 20 0 GFADRO CSC[C@H]1CCC[N@H+](CC(=O)NCC(=O)Nc2cccc(Cl)c2C)C1 ZINC000429288084 563513200 /nfs/dbraw/zinc/51/32/00/563513200.db2.gz AYVYUBADKQZZKZ-AWEZNQCLSA-N 1 0 383.945 2.778 20 0 GFADRO Cc1ccc(C[NH2+][C@H]2CCCC[C@H]2NS(C)(=O)=O)cc1Br ZINC000330619450 563513865 /nfs/dbraw/zinc/51/38/65/563513865.db2.gz ZGPORLNFBSDHTM-LSDHHAIUSA-N 1 0 375.332 2.708 20 0 GFADRO CC1(C)Cc2ccc(Br)cc2[C@H]1[NH2+]C[C@@H](O)CN1CCCC1=O ZINC000429312401 563514319 /nfs/dbraw/zinc/51/43/19/563514319.db2.gz WORBCFWAAHQBLS-RHSMWYFYSA-N 1 0 381.314 2.645 20 0 GFADRO C[C@@H]1[C@H]([NH+](C)C)CCN1S(=O)(=O)c1ccc(Br)cc1Cl ZINC000380791174 563515203 /nfs/dbraw/zinc/51/52/03/563515203.db2.gz VCYKKBAHCMKXRN-BXKDBHETSA-N 1 0 381.723 2.816 20 0 GFADRO CCN(CC)C(=O)C[C@H](C)[NH2+]C[C@H](CO)Cc1cccc(Br)c1 ZINC000429434768 563517212 /nfs/dbraw/zinc/51/72/12/563517212.db2.gz RRXQLKXTCUMJHD-GOEBONIOSA-N 1 0 385.346 2.837 20 0 GFADRO C[NH+](C)[C@H]1CCCN(C[C@@H](O)COc2cc(F)cc(Br)c2)CC1 ZINC000429537942 563518520 /nfs/dbraw/zinc/51/85/20/563518520.db2.gz IAUPZEQPAZMJCG-JKSUJKDBSA-N 1 0 389.309 2.744 20 0 GFADRO C[NH2+][C@@H](CC(C)(C)C)C(=O)N1CCN(c2ccc(Br)cn2)CC1 ZINC000387679133 563519576 /nfs/dbraw/zinc/51/95/76/563519576.db2.gz RUVIAROUXBZREC-AWEZNQCLSA-N 1 0 383.334 2.517 20 0 GFADRO CCC([NH3+])(CC)CNC(=O)[C@H](NC(=O)c1ccccc1Br)C(C)C ZINC000429660785 563520416 /nfs/dbraw/zinc/52/04/16/563520416.db2.gz VNHWCKCZUPJSGA-OAHLLOKOSA-N 1 0 398.345 2.837 20 0 GFADRO Cn1ccnc1Sc1ncc(C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)cc1Cl ZINC000429646691 563520535 /nfs/dbraw/zinc/52/05/35/563520535.db2.gz AMMYWCLYNQLETH-OLZOCXBDSA-N 1 0 377.901 2.586 20 0 GFADRO CC[C@H]1CCC[C@H]1[NH2+]CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000429769094 563522640 /nfs/dbraw/zinc/52/26/40/563522640.db2.gz DKLYIQOHSQZLBU-SWLSCSKDSA-N 1 0 387.933 2.697 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)C(=O)N(CC[NH+](C)C)CC(C)C ZINC000429791275 563522686 /nfs/dbraw/zinc/52/26/86/563522686.db2.gz XTQLSMIKEMGXNQ-UHFFFAOYSA-N 1 0 398.345 2.996 20 0 GFADRO C[C@H]1CCN(C)CCN1S(=O)(=O)c1cc(Cl)ccc1Br ZINC000429817134 563523228 /nfs/dbraw/zinc/52/32/28/563523228.db2.gz KSVCZUHTVWDZOW-JTQLQIEISA-N 1 0 381.723 2.817 20 0 GFADRO CC[N@H+](CCC1CCN(S(=O)(=O)c2c(Cl)cnn2C)CC1)CC1CC1 ZINC000429844128 563524950 /nfs/dbraw/zinc/52/49/50/563524950.db2.gz KRMQOVWHAJFBAC-UHFFFAOYSA-N 1 0 388.965 2.596 20 0 GFADRO O=S(=O)(C1CC1)N1CCC[C@@H]([NH2+]Cc2sccc2Br)C1 ZINC000285528670 563524973 /nfs/dbraw/zinc/52/49/73/563524973.db2.gz PRBIWAKGJDPMCE-SNVBAGLBSA-N 1 0 379.345 2.557 20 0 GFADRO COc1ccccc1NC(=O)C[C@@H](C)[NH2+]CCn1cc(Br)cn1 ZINC000285540286 563525592 /nfs/dbraw/zinc/52/55/92/563525592.db2.gz DGPITTWJAYEYMQ-GFCCVEGCSA-N 1 0 381.274 2.661 20 0 GFADRO Cc1ccc(S(=O)(=O)N2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)c(Br)c1 ZINC000397251695 563531796 /nfs/dbraw/zinc/53/17/96/563531796.db2.gz CTNVVOATMOGWNT-XQQFMLRXSA-N 1 0 375.332 2.751 20 0 GFADRO CN(C[C@H]1CCC[N@H+](Cc2ccc(Cl)c3cccnc23)C1)S(C)(=O)=O ZINC000285676145 563531864 /nfs/dbraw/zinc/53/18/64/563531864.db2.gz QRKHVFDGCMSFBL-CQSZACIVSA-N 1 0 381.929 2.992 20 0 GFADRO C[C@@H]1C[C@@H](C)N(S(=O)(=O)c2ccc(F)cc2Br)C[C@H]1C[NH3+] ZINC000397320375 563531953 /nfs/dbraw/zinc/53/19/53/563531953.db2.gz SNEJDMKCVLQPEA-GMTAPVOTSA-N 1 0 379.295 2.582 20 0 GFADRO C[C@@H]([NH2+][C@@H]1CCCN(S(C)(=O)=O)C1)c1cc(Br)ccc1F ZINC000400197770 563534634 /nfs/dbraw/zinc/53/46/34/563534634.db2.gz MVFDPBDMGWEKKT-ZYHUDNBSSA-N 1 0 379.295 2.663 20 0 GFADRO CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H](CO)Cc1ccc(Br)cc1 ZINC000430138181 563535181 /nfs/dbraw/zinc/53/51/81/563535181.db2.gz HJJNOSNQHAFRBY-RDJZCZTQSA-N 1 0 383.330 2.591 20 0 GFADRO CNC(=O)[C@]1(C)CC[N@H+](Cc2cc(Cl)ccc2I)C1 ZINC000405043934 563537961 /nfs/dbraw/zinc/53/79/61/563537961.db2.gz QQTGWNFKVDQNSV-CQSZACIVSA-N 1 0 392.668 2.903 20 0 GFADRO Clc1ccc(I)c(C[NH2+]CCCn2ccnn2)c1 ZINC000405233836 563538617 /nfs/dbraw/zinc/53/86/17/563538617.db2.gz XKLGMRKEJINNRT-UHFFFAOYSA-N 1 0 376.629 2.716 20 0 GFADRO CCO[C@@H]1CN(C(=O)c2ccc(Br)cc2C(F)(F)F)C[C@H]1C[NH3+] ZINC000405297167 563538842 /nfs/dbraw/zinc/53/88/42/563538842.db2.gz LKXPDLLIRBQICK-NOZJJQNGSA-N 1 0 395.219 2.904 20 0 GFADRO C[C@@H](CC(=O)Nc1cccnc1Cl)[NH2+]CCn1cc(Br)cn1 ZINC000285843404 563539572 /nfs/dbraw/zinc/53/95/72/563539572.db2.gz YPDBQDMHUSXIKD-JTQLQIEISA-N 1 0 386.681 2.701 20 0 GFADRO CC(C)NC(=O)CC[NH2+]Cc1cc(Cl)ccc1I ZINC000405634412 563539850 /nfs/dbraw/zinc/53/98/50/563539850.db2.gz ARCQEQULDIGASI-UHFFFAOYSA-N 1 0 380.657 2.949 20 0 GFADRO CS(=O)(=O)N[C@H]1CCCC[C@H]1[NH2+]Cc1cc(F)ccc1Br ZINC000331207394 563540817 /nfs/dbraw/zinc/54/08/17/563540817.db2.gz YUHMVIJKZICYIF-KGLIPLIRSA-N 1 0 379.295 2.538 20 0 GFADRO CC(C)(Cc1ccc(C(F)(F)F)cc1)[NH2+]CC1(O)CCS(=O)(=O)CC1 ZINC000331260877 563543034 /nfs/dbraw/zinc/54/30/34/563543034.db2.gz BRKHZYVESJWZKM-UHFFFAOYSA-N 1 0 379.444 2.556 20 0 GFADRO CCOC(=O)c1sc2ccsc2c1CNC(=O)C1(OC)CC[NH2+]CC1 ZINC000430531844 563545280 /nfs/dbraw/zinc/54/52/80/563545280.db2.gz WOKBSADASQUVLD-UHFFFAOYSA-N 1 0 382.507 2.524 20 0 GFADRO CC(C)[C@@H]([NH3+])CCN(C)CC(=O)Nc1c(F)cc(F)cc1Br ZINC000430582304 563545724 /nfs/dbraw/zinc/54/57/24/563545724.db2.gz WBFUKZGNEWFBOE-ZDUSSCGKSA-N 1 0 378.261 2.971 20 0 GFADRO CCCN(Cc1nc(Cc2cccc(Br)c2)no1)[C@@H]1CC[NH2+]C1 ZINC000430945404 563550877 /nfs/dbraw/zinc/55/08/77/563550877.db2.gz XCWGLBBYPHDBEM-OAHLLOKOSA-N 1 0 379.302 2.997 20 0 GFADRO Brc1ccccc1-n1nnnc1CN1CC[NH2+]CC12CCCCC2 ZINC000431075164 563552793 /nfs/dbraw/zinc/55/27/93/563552793.db2.gz BGIWUKLWSZSMDI-UHFFFAOYSA-N 1 0 391.317 2.533 20 0 GFADRO COc1ccc(S(=O)(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)c(Cl)c1Cl ZINC000331593858 563554562 /nfs/dbraw/zinc/55/45/62/563554562.db2.gz YFFQTVYTYNLQDJ-GXSJLCMTSA-N 1 0 379.309 2.763 20 0 GFADRO COc1cc(C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@@H]2C)cc(Br)c1OC ZINC000331591377 563554648 /nfs/dbraw/zinc/55/46/48/563554648.db2.gz XVSXPVXTEJRVIU-HZMBPMFUSA-N 1 0 383.286 2.679 20 0 GFADRO O=C(C[NH2+][C@H]1CCC[C@H]1CCO)Nc1c(F)cc(F)cc1Br ZINC000286301125 563555813 /nfs/dbraw/zinc/55/58/13/563555813.db2.gz VOXLPOOZBAGQCE-ZANVPECISA-N 1 0 377.229 2.807 20 0 GFADRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(S(=O)(=O)c2cc(Cl)cnc2N)C1 ZINC000408436828 563556022 /nfs/dbraw/zinc/55/60/22/563556022.db2.gz KCVAAVCWWHHMTI-UONOGXRCSA-N 1 0 386.949 2.592 20 0 GFADRO OC[C@@H]1C[N@H+](C[C@@H](O)c2ccc(Br)cc2)CC[C@H]1C(F)(F)F ZINC000286325311 563556313 /nfs/dbraw/zinc/55/63/13/563556313.db2.gz DMDYLAMMJSFPTL-IACUBPJLSA-N 1 0 382.220 2.975 20 0 GFADRO O=S(=O)(CCC[N@H+](C[C@@H]1CCCO1)[C@H]1CCSC1)c1ccc(F)cc1 ZINC000409449607 563560497 /nfs/dbraw/zinc/56/04/97/563560497.db2.gz VGSGYMXIDQMYMV-IRXDYDNUSA-N 1 0 387.542 2.976 20 0 GFADRO CCCN(C)[C@H](CNC(=O)C1(S(C)(=O)=O)CCC1)c1ccc(Cl)cc1 ZINC000286462333 563560950 /nfs/dbraw/zinc/56/09/50/563560950.db2.gz TWQDCMPAZUUXIV-MRXNPFEDSA-N 1 0 386.945 2.806 20 0 GFADRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)Cn2cc(Br)cn2)C1 ZINC000409453360 563561373 /nfs/dbraw/zinc/56/13/73/563561373.db2.gz NXTKEPALYGCHSO-CJNGLKHVSA-N 1 0 377.286 2.597 20 0 GFADRO CSC1(C[NH2+]Cc2ncc(I)s2)CCOCC1 ZINC000286538632 563564695 /nfs/dbraw/zinc/56/46/95/563564695.db2.gz OCEBLZHBUVMXFO-UHFFFAOYSA-N 1 0 384.308 2.750 20 0 GFADRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N1CCO[C@@H](c2ccc(Br)cc2)[C@H]1C ZINC000331867527 563564898 /nfs/dbraw/zinc/56/48/98/563564898.db2.gz OGJRKWVRYHQYFX-UTJXIGIESA-N 1 0 396.329 2.919 20 0 GFADRO COCCC[N@H+](C)CCNC(=O)[C@H]1C[C@]12CCc1cc(Br)ccc12 ZINC000409732968 563569869 /nfs/dbraw/zinc/56/98/69/563569869.db2.gz PDXDYSHODATDKV-MJGOQNOKSA-N 1 0 395.341 2.738 20 0 GFADRO COC(=O)c1csc(S(=O)(=O)NCC2CC[NH+](CCC(C)C)CC2)c1 ZINC000431896747 563570941 /nfs/dbraw/zinc/57/09/41/563570941.db2.gz SNTBXSSPKUKRLM-UHFFFAOYSA-N 1 0 388.555 2.571 20 0 GFADRO COC(=O)[C@]1(C(F)(F)F)CC[N@H+](C[C@H](O)COc2ccccc2Cl)C1 ZINC000286713629 563571180 /nfs/dbraw/zinc/57/11/80/563571180.db2.gz WVPLPZUFLGVIHT-NHYWBVRUSA-N 1 0 381.778 2.507 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)NCC[N@H+]2CCC[C@H](C)C2)c(Br)c1 ZINC000431948818 563572094 /nfs/dbraw/zinc/57/20/94/563572094.db2.gz AUPBGWGSHREWTN-LBPRGKRZSA-N 1 0 396.329 2.853 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)N[C@H]2COc3cc(F)c(Br)cc32)CC[N@@H+]1C ZINC000332077439 563574706 /nfs/dbraw/zinc/57/47/06/563574706.db2.gz XOTLYYJHTPIAOB-BFVZDQMLSA-N 1 0 386.265 2.804 20 0 GFADRO C[C@H]1[NH2+]CCC[C@H]1C(=O)N1CCN(C(=O)c2c(Cl)cccc2Cl)CC1 ZINC000332106784 563576826 /nfs/dbraw/zinc/57/68/26/563576826.db2.gz HERJBGSIEIPCGQ-CHWSQXEVSA-N 1 0 384.307 2.666 20 0 GFADRO NS(=O)(=O)c1ccc(N2CC[NH+](CCSC3CCCCC3)CC2)cc1 ZINC000332106738 563576866 /nfs/dbraw/zinc/57/68/66/563576866.db2.gz ZTCHZBDZWHYRSW-UHFFFAOYSA-N 1 0 383.583 2.522 20 0 GFADRO O=C(CCCNC(=O)c1ccsc1)Nc1ncc(C2CC[NH2+]CC2)s1 ZINC000286854331 563577713 /nfs/dbraw/zinc/57/77/13/563577713.db2.gz XGDIVAAJJNMHMC-UHFFFAOYSA-N 1 0 378.523 2.820 20 0 GFADRO CN(C)S(=O)(=O)c1cccc(C[NH2+][C@@H](CCO)c2ccc(Cl)cc2)c1 ZINC000286896943 563578824 /nfs/dbraw/zinc/57/88/24/563578824.db2.gz ISSIYBMLISYXAD-SFHVURJKSA-N 1 0 382.913 2.804 20 0 GFADRO Cc1ccc(C(=O)N2CCC(O)(C[NH+]3CCOCC3)CC2)c(Cl)c1Cl ZINC000332140393 563579052 /nfs/dbraw/zinc/57/90/52/563579052.db2.gz RFCYLKQZOLZJHX-UHFFFAOYSA-N 1 0 387.307 2.601 20 0 GFADRO C[C@@H](CNC(=O)N[C@H]1COc2cc(F)c(Br)cc21)[N@H+](C)C1CC1 ZINC000410067315 563580307 /nfs/dbraw/zinc/58/03/07/563580307.db2.gz UUTXLMUKTBXKJX-XPTSAGLGSA-N 1 0 386.265 2.804 20 0 GFADRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)Nc3cccc(I)c3)C[C@@H]21 ZINC000332158994 563580729 /nfs/dbraw/zinc/58/07/29/563580729.db2.gz KENKAXJDADXARJ-LEWSCRJBSA-N 1 0 385.249 2.882 20 0 GFADRO C[C@@H]1[C@H](C)N(C(=O)c2cc(=O)[nH]c3c(Br)cccc23)CC[N@H+]1C ZINC000332226914 563585070 /nfs/dbraw/zinc/58/50/70/563585070.db2.gz OJALDDHCEHNZRF-MNOVXSKESA-N 1 0 378.270 2.868 20 0 GFADRO C[C@@H]1C[C@H]([NH2+]CC2(O)CCS(=O)(=O)CC2)c2cccc(Br)c21 ZINC000332226878 563585268 /nfs/dbraw/zinc/58/52/68/563585268.db2.gz CESWGOQELWBMJN-RISCZKNCSA-N 1 0 388.327 2.527 20 0 GFADRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)Nc3ccc(I)cc3)C[C@@H]21 ZINC000332246953 563587189 /nfs/dbraw/zinc/58/71/89/563587189.db2.gz SUIJBMILNQAPRP-LEWSCRJBSA-N 1 0 385.249 2.882 20 0 GFADRO C[C@@H]1CN(C(=O)N[C@@H]2CCc3cc(Br)ccc32)C[C@H](C)[N@H+]1CCO ZINC000332249152 563587836 /nfs/dbraw/zinc/58/78/36/563587836.db2.gz BJKWSVJFZDKKJG-IIYDPXPESA-N 1 0 396.329 2.533 20 0 GFADRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)C1(c2cncc(Br)c2)CC1 ZINC000287173744 563590324 /nfs/dbraw/zinc/59/03/24/563590324.db2.gz OHTYQILJHYMPEX-CZUORRHYSA-N 1 0 378.314 2.961 20 0 GFADRO CN(Cc1c(Cl)cccc1Cl)C(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000410500331 563592028 /nfs/dbraw/zinc/59/20/28/563592028.db2.gz WNKRWJBIJONCCI-CYBMUJFWSA-N 1 0 384.307 2.647 20 0 GFADRO CNC(=O)c1cccc(NC(=O)NCC2(C)CC[NH+](C)CC2)c1Br ZINC000287246904 563593728 /nfs/dbraw/zinc/59/37/28/563593728.db2.gz CIQSFOLXERVLLD-UHFFFAOYSA-N 1 0 397.317 2.662 20 0 GFADRO COc1cc(C)c(Br)cc1C(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000287262234 563594368 /nfs/dbraw/zinc/59/43/68/563594368.db2.gz CDEIAXKSWBLLMH-UHFFFAOYSA-N 1 0 398.345 2.522 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)N1CC[C@H](C(F)(F)F)[C@@H](CO)C1)c1ccsc1 ZINC000287302255 563595863 /nfs/dbraw/zinc/59/58/63/563595863.db2.gz WHPJFGHSILQSER-HZSPNIEDSA-N 1 0 379.448 2.553 20 0 GFADRO COC(=O)c1coc(C[NH2+]C[C@H](CO)Cc2ccccc2Br)c1 ZINC000432903040 563596690 /nfs/dbraw/zinc/59/66/90/563596690.db2.gz ISMXMXKCGFQJJA-GFCCVEGCSA-N 1 0 382.254 2.770 20 0 GFADRO [NH3+]C1(CN[C@@H]2CCS(=O)(=O)c3ccc(Br)cc32)CCCCC1 ZINC000332390781 563596921 /nfs/dbraw/zinc/59/69/21/563596921.db2.gz VLUDPEWKDBUYTJ-CQSZACIVSA-N 1 0 387.343 2.919 20 0 GFADRO CN(CC[N@@H+]1CCOC(C)(C)C1)c1ccnc2cc(Br)cnc21 ZINC000432935455 563597295 /nfs/dbraw/zinc/59/72/95/563597295.db2.gz DFMWQJYKDXIBBS-UHFFFAOYSA-N 1 0 379.302 2.939 20 0 GFADRO CCC[N@@H+]1CC[C@H](CNC(=O)Nc2cccc(C(=O)NC)c2Br)C1 ZINC000287375567 563598796 /nfs/dbraw/zinc/59/87/96/563598796.db2.gz KYWUVFVOGWJGMH-GFCCVEGCSA-N 1 0 397.317 2.662 20 0 GFADRO CN1CC[N@H+](C)C[C@@H]1CNc1ccc(-c2ccc(Br)s2)nn1 ZINC000287440618 563602000 /nfs/dbraw/zinc/60/20/00/563602000.db2.gz RBJCRRGZOOLAGL-NSHDSACASA-N 1 0 382.331 2.625 20 0 GFADRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)N1CCC(Oc2cccc(Br)c2)CC1 ZINC000332513372 563602652 /nfs/dbraw/zinc/60/26/52/563602652.db2.gz FPSJCSVLNPFRIG-SUMWQHHRSA-N 1 0 396.329 3.000 20 0 GFADRO [NH3+]C[C@H]1CCCC[C@H]1NC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000332557365 563604058 /nfs/dbraw/zinc/60/40/58/563604058.db2.gz SKWGENIPKGZZOF-IUODEOHRSA-N 1 0 386.327 2.738 20 0 GFADRO C[C@@H](C(=O)NC[C@H](O)C[NH+]1CCC(C)CC1)c1ccc(Br)s1 ZINC000332549744 563604060 /nfs/dbraw/zinc/60/40/60/563604060.db2.gz JCMSOKQJJSVEDB-OLZOCXBDSA-N 1 0 389.359 2.823 20 0 GFADRO CC(C)[C@@H](C[NH3+])C(=O)N(C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000433126792 563604346 /nfs/dbraw/zinc/60/43/46/563604346.db2.gz PUURULCUBICNCJ-LLVKDONJSA-N 1 0 379.810 2.987 20 0 GFADRO O=C1CCC[C@@H](C[NH2+]Cc2ccc(Br)c(Br)c2)N1 ZINC000433209097 563606330 /nfs/dbraw/zinc/60/63/30/563606330.db2.gz PLJAAVHEZKBYBB-JTQLQIEISA-N 1 0 376.092 2.970 20 0 GFADRO C[NH+](C)C(C)(C)CNC(=O)C(=O)N[C@@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000411124344 563606861 /nfs/dbraw/zinc/60/68/61/563606861.db2.gz GLSLSTKQQLHIOS-LBPRGKRZSA-N 1 0 379.810 2.516 20 0 GFADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)Nc1cc(C)c(Br)c(F)c1 ZINC000411202207 563609858 /nfs/dbraw/zinc/60/98/58/563609858.db2.gz UJGGBCXGCSZBPV-NSHDSACASA-N 1 0 388.281 2.682 20 0 GFADRO C[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)c1ncn([C@@H]2CCC[NH2+]C2)n1 ZINC000433401449 563612294 /nfs/dbraw/zinc/61/22/94/563612294.db2.gz SGEDIJPTHIZIPC-BXUZGUMPSA-N 1 0 382.295 2.870 20 0 GFADRO C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)Nc1ccn(-c2ccc(Br)cc2)n1 ZINC000332697627 563612481 /nfs/dbraw/zinc/61/24/81/563612481.db2.gz WGQUVKWZFAYBBC-STQMWFEESA-N 1 0 392.301 3.191 20 0 GFADRO CCC[N@H+](CC)CCNC(=O)C(=O)Nc1cc(C)c(Br)c(F)c1 ZINC000411269279 563612997 /nfs/dbraw/zinc/61/29/97/563612997.db2.gz HIOBUXVMLYDGBX-UHFFFAOYSA-N 1 0 388.281 2.683 20 0 GFADRO C[C@H]1COCC[C@@H]1NC(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000433452946 563613177 /nfs/dbraw/zinc/61/31/77/563613177.db2.gz XRDZVNCIFHZVJX-YOEHRIQHSA-N 1 0 398.345 2.947 20 0 GFADRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)c1cn(-c2ccc(Br)cc2)cn1 ZINC000332746077 563614095 /nfs/dbraw/zinc/61/40/95/563614095.db2.gz HQPCMKGAXAZQGL-DOTOQJQBSA-N 1 0 389.297 2.991 20 0 GFADRO O=C(Nc1nnc2ccc(Br)cn21)C1C[NH+](C2CCCCC2)C1 ZINC000333061147 563619404 /nfs/dbraw/zinc/61/94/04/563619404.db2.gz ADZBJESNGFYFLH-UHFFFAOYSA-N 1 0 378.274 2.695 20 0 GFADRO O=C(NCC[NH2+][C@@H]1CCO[C@H](C(F)(F)F)C1)c1ccc(Br)cc1 ZINC000287817781 563619454 /nfs/dbraw/zinc/61/94/54/563619454.db2.gz VASWFFNJRRTZAN-OLZOCXBDSA-N 1 0 395.219 2.878 20 0 GFADRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)Nc3cnn(-c4ccccc4Br)c3)C[C@@H]12 ZINC000333098756 563619963 /nfs/dbraw/zinc/61/99/63/563619963.db2.gz DNXBZLXAUZUGLX-UXIGCNINSA-N 1 0 390.285 2.836 20 0 GFADRO COc1ccccc1CCNC(=O)C[NH2+]Cc1csc(Br)c1 ZINC000433776469 563620014 /nfs/dbraw/zinc/62/00/14/563620014.db2.gz DOWMFZBLBRGZHC-UHFFFAOYSA-N 1 0 383.311 2.968 20 0 GFADRO Cc1cc(NC(=O)C(=O)N(CC[NH+](C)C)Cc2cccc(Cl)c2)sn1 ZINC000287855062 563620561 /nfs/dbraw/zinc/62/05/61/563620561.db2.gz FFYRNNPMNRGDFC-UHFFFAOYSA-N 1 0 380.901 2.634 20 0 GFADRO C[N@H+](CCC(=O)Nc1cccc(Br)c1)C1(CCO)CCOCC1 ZINC000411489408 563620976 /nfs/dbraw/zinc/62/09/76/563620976.db2.gz AMNVEZPNDBSCSG-UHFFFAOYSA-N 1 0 385.302 2.641 20 0 GFADRO C[NH+](C)CCCC1CCN(S(=O)(=O)c2cccnc2C(F)(F)F)CC1 ZINC000287910777 563622698 /nfs/dbraw/zinc/62/26/98/563622698.db2.gz SYFYJPMVMMEVIX-UHFFFAOYSA-N 1 0 379.448 2.843 20 0 GFADRO Cc1nc(NC(=O)N2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)ccc1Br ZINC000333156217 563622854 /nfs/dbraw/zinc/62/28/54/563622854.db2.gz NBWTZTBWXLDZEX-ZBFHGGJFSA-N 1 0 397.317 2.903 20 0 GFADRO O=C(Nc1cnn(-c2ccccc2Br)c1)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000333180540 563623421 /nfs/dbraw/zinc/62/34/21/563623421.db2.gz RUMBJQBVYDOQMG-CHWSQXEVSA-N 1 0 390.285 2.708 20 0 GFADRO COc1ccc(NC(=O)N2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)cc1Br ZINC000333200458 563624229 /nfs/dbraw/zinc/62/42/29/563624229.db2.gz XOVFGJMGUHBKAP-ZBFHGGJFSA-N 1 0 398.301 2.818 20 0 GFADRO C[NH+](C)C[C@H](NC(=O)c1cnc(C2OCCO2)s1)c1ccc(Cl)cc1 ZINC000287967346 563624541 /nfs/dbraw/zinc/62/45/41/563624541.db2.gz VLAIYUGGQPECTH-ZDUSSCGKSA-N 1 0 381.885 2.875 20 0 GFADRO [NH3+][C@H]1CCO[C@@H](C2CCN(C(=O)Cc3ccccc3Br)CC2)C1 ZINC000333231598 563624644 /nfs/dbraw/zinc/62/46/44/563624644.db2.gz CECBLDKUPFALTM-DOTOQJQBSA-N 1 0 381.314 2.737 20 0 GFADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)NCc2cc(F)c(Cl)cc2F)C1 ZINC000433992460 563624874 /nfs/dbraw/zinc/62/48/74/563624874.db2.gz CWYXSLDGBWELRK-ZDUSSCGKSA-N 1 0 375.847 2.774 20 0 GFADRO [NH3+][C@H]1CCCO[C@H]1C1CCN(C(=O)Cc2ccc(Br)c(F)c2)CC1 ZINC000333221969 563624919 /nfs/dbraw/zinc/62/49/19/563624919.db2.gz ADKNWOUGJJHPOL-WMZOPIPTSA-N 1 0 399.304 2.876 20 0 GFADRO COc1ccc(Br)c(C(=O)N2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)c1 ZINC000333232546 563625448 /nfs/dbraw/zinc/62/54/48/563625448.db2.gz CHWRZUAXVJWBIU-GUYCJALGSA-N 1 0 397.313 2.816 20 0 GFADRO O=C(Nc1cc(Br)cc(C(=O)N2CCCC2)c1)N[C@H]1CCC[NH2+]C1 ZINC000333248121 563625674 /nfs/dbraw/zinc/62/56/74/563625674.db2.gz CCJNECNBIYZAEC-AWEZNQCLSA-N 1 0 395.301 2.559 20 0 GFADRO O=C(Nc1ccc2nccnc2c1Br)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000333270927 563626647 /nfs/dbraw/zinc/62/66/47/563626647.db2.gz GBCIIZPUASBMGQ-QGZVFWFLSA-N 1 0 390.285 3.000 20 0 GFADRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)Nc1ccc(-c2ccc(Br)s2)nn1 ZINC000333306879 563627381 /nfs/dbraw/zinc/62/73/81/563627381.db2.gz LBZDRFRMHFDVJT-VHSXEESVSA-N 1 0 396.314 3.182 20 0 GFADRO Cc1ccc(NC(=O)C(=O)NCC[C@@H]2CCC[N@@H+](C)C2)cc1Br ZINC000411670001 563629106 /nfs/dbraw/zinc/62/91/06/563629106.db2.gz JYXFOQHFFNBJAC-ZDUSSCGKSA-N 1 0 382.302 2.544 20 0 GFADRO O=C([C@H]1C[N@@H+]2CCN1CCC2)N1CC2(CCC2)c2cc(Br)ccc21 ZINC000434387461 563630696 /nfs/dbraw/zinc/63/06/96/563630696.db2.gz UQVOKQHFZCZLGX-QGZVFWFLSA-N 1 0 390.325 2.607 20 0 GFADRO O=S(=O)(c1cccnc1C(F)(F)F)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000288171056 563632259 /nfs/dbraw/zinc/63/22/59/563632259.db2.gz OUJVZAUZALYCPR-CYBMUJFWSA-N 1 0 377.432 2.597 20 0 GFADRO CCOCC[C@H](O)C[NH+]1CCN([C@H](C)c2ccc(Br)cc2)CC1 ZINC000434635099 563633313 /nfs/dbraw/zinc/63/33/13/563633313.db2.gz VOUMLOSZYIMZJG-QAPCUYQASA-N 1 0 385.346 2.915 20 0 GFADRO CC1(C[NH2+]C[C@@H](O)COc2ccc(I)cc2)CCC1 ZINC000434771721 563637736 /nfs/dbraw/zinc/63/77/36/563637736.db2.gz DEWWYTFSEJHFOS-CYBMUJFWSA-N 1 0 375.250 2.811 20 0 GFADRO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000333638949 563638153 /nfs/dbraw/zinc/63/81/53/563638153.db2.gz HUNLZZUKKRMAJC-GDBMZVCRSA-N 1 0 393.336 2.900 20 0 GFADRO COCC(COC)[NH+]1CCN(CCOc2cc(Cl)ccc2Cl)CC1 ZINC000411867173 563638558 /nfs/dbraw/zinc/63/85/58/563638558.db2.gz WPPQJUKROUWBPV-UHFFFAOYSA-N 1 0 377.312 2.651 20 0 GFADRO O=C(NCc1cc(F)c(F)cc1Br)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000333679909 563639315 /nfs/dbraw/zinc/63/93/15/563639315.db2.gz ZOBGCEXFJWUVAN-HOSYDEDBSA-N 1 0 388.256 2.915 20 0 GFADRO [NH3+][C@H]1CCCO[C@H]1C1CCN(S(=O)(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000333719804 563639747 /nfs/dbraw/zinc/63/97/47/563639747.db2.gz UKEMIIIBIVWBQO-HOTGVXAUSA-N 1 0 393.336 2.900 20 0 GFADRO [NH3+][C@@H]1CCO[C@@H](C2CCN(S(=O)(=O)Cc3ccc(Cl)c(F)c3)CC2)C1 ZINC000333733807 563640434 /nfs/dbraw/zinc/64/04/34/563640434.db2.gz WOTKBACWVSNRDF-RHSMWYFYSA-N 1 0 390.908 2.527 20 0 GFADRO [NH3+][C@@H]1CCO[C@H](C2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)C1 ZINC000333724646 563640558 /nfs/dbraw/zinc/64/05/58/563640558.db2.gz VFHCPUUQIYFOFH-DOMZBBRYSA-N 1 0 393.336 2.900 20 0 GFADRO O=C(N[C@@H]1C[C@H]1c1ccc(Br)cc1)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000333740516 563640691 /nfs/dbraw/zinc/64/06/91/563640691.db2.gz ITWXPTGKAASDMR-LZDOMEQBSA-N 1 0 378.314 2.992 20 0 GFADRO Brc1cnn(CCC[NH2+]Cc2ccccc2N2CCOCC2)c1 ZINC000288385257 563640915 /nfs/dbraw/zinc/64/09/15/563640915.db2.gz GJLAGYPCQBWBBV-UHFFFAOYSA-N 1 0 379.302 2.662 20 0 GFADRO COc1cc(C[NH2+][C@@H]2COc3ccccc3[C@@H]2O)cc(Br)c1O ZINC000288412223 563641992 /nfs/dbraw/zinc/64/19/92/563641992.db2.gz AOWYXCKMLCBUDA-CJNGLKHVSA-N 1 0 380.238 2.748 20 0 GFADRO COc1cc(C[NH2+][C@H]2COc3ccccc3[C@@H]2O)cc(Br)c1O ZINC000288412219 563642097 /nfs/dbraw/zinc/64/20/97/563642097.db2.gz AOWYXCKMLCBUDA-BBRMVZONSA-N 1 0 380.238 2.748 20 0 GFADRO O=C(CN1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21)Nc1c(Cl)cccc1Cl ZINC000333825475 563643054 /nfs/dbraw/zinc/64/30/54/563643054.db2.gz IKLITMJNAWQBQJ-DOMZBBRYSA-N 1 0 384.307 2.632 20 0 GFADRO Brc1cncc(CNCc2ccncc2OC[C@H]2CCOC2)c1 ZINC000288468943 563644161 /nfs/dbraw/zinc/64/41/61/563644161.db2.gz OSNWVMQDXMQCBA-ZDUSSCGKSA-N 1 0 378.270 2.944 20 0 GFADRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)Nc1cc(Br)cn(C)c1=O ZINC000435194111 563644816 /nfs/dbraw/zinc/64/48/16/563644816.db2.gz ZEKIEHKITWSWDO-VXGBXAGGSA-N 1 0 385.306 2.532 20 0 GFADRO Cc1nc(S(=O)(=O)NC2CC[NH+](CCc3ccccc3)CC2)sc1C ZINC000435223215 563646224 /nfs/dbraw/zinc/64/62/24/563646224.db2.gz RCVSKOYVZDYOAL-UHFFFAOYSA-N 1 0 379.551 2.745 20 0 GFADRO CC(C)[N@H+](CCC(=O)Nc1ccccc1Br)C[C@H]1CCC(=O)N1 ZINC000412064584 563646548 /nfs/dbraw/zinc/64/65/48/563646548.db2.gz CNXHYLYQZLRJGP-CYBMUJFWSA-N 1 0 382.302 2.767 20 0 GFADRO Cc1cc(C(=O)N(C2CC2)[C@H]2CC[NH2+]C2)nn1-c1ccc(Br)cc1 ZINC000435241433 563646855 /nfs/dbraw/zinc/64/68/55/563646855.db2.gz UJEXBGATFVVMHV-INIZCTEOSA-N 1 0 389.297 2.910 20 0 GFADRO O=C(c1[nH]nc(-c2ccccc2)c1Br)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000435250246 563646861 /nfs/dbraw/zinc/64/68/61/563646861.db2.gz YAVRWHMOAOUBRP-CYBMUJFWSA-N 1 0 375.270 2.806 20 0 GFADRO COC(=O)[C@H]1CSCC[N@H+](CCc2nc(-c3cccc(Cl)c3)no2)C1 ZINC000412069666 563647046 /nfs/dbraw/zinc/64/70/46/563647046.db2.gz HQZVMIJCQIUIGN-CYBMUJFWSA-N 1 0 381.885 2.771 20 0 GFADRO CS[C@@H]1CN(S(=O)(=O)c2c(Cl)cc(F)cc2Cl)C[C@@H]1[NH+](C)C ZINC000435425147 563649442 /nfs/dbraw/zinc/64/94/42/563649442.db2.gz CCRSEPBVGNAQJD-NWDGAFQWSA-N 1 0 387.329 2.799 20 0 GFADRO C[NH+](C)CCN(C(=O)c1cn(Cc2ccc(Cl)cc2Cl)nn1)C1CC1 ZINC000412262663 563651835 /nfs/dbraw/zinc/65/18/35/563651835.db2.gz WTDCHSLZQNCZCO-UHFFFAOYSA-N 1 0 382.295 2.799 20 0 GFADRO C[NH+](C)CCCOc1cnccc1CNCc1cncc(Br)c1 ZINC000288666770 563652925 /nfs/dbraw/zinc/65/29/25/563652925.db2.gz WCXYSSFESWRRDM-UHFFFAOYSA-N 1 0 379.302 2.859 20 0 GFADRO O=C(NC[C@H](CO)c1ccccc1Cl)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000412337457 563654295 /nfs/dbraw/zinc/65/42/95/563654295.db2.gz LHAXWATZAITTSA-CVEARBPZSA-N 1 0 382.957 2.750 20 0 GFADRO O=C(NC[C@@H](CO)c1ccccc1Cl)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000412337458 563654372 /nfs/dbraw/zinc/65/43/72/563654372.db2.gz LHAXWATZAITTSA-HOTGVXAUSA-N 1 0 382.957 2.750 20 0 GFADRO CC[NH+](CC)CC1CCN(C(=O)Nc2cc(Br)c(=O)n(C)c2)CC1 ZINC000435612662 563654841 /nfs/dbraw/zinc/65/48/41/563654841.db2.gz YJZUMROHSBXOEL-UHFFFAOYSA-N 1 0 399.333 2.734 20 0 GFADRO CN(CC(=O)Nc1c(F)cc(F)cc1Br)[C@@H]1CCC[NH2+]CC1 ZINC000435630272 563655507 /nfs/dbraw/zinc/65/55/07/563655507.db2.gz ZZRCOSVMXSBIBR-LLVKDONJSA-N 1 0 376.245 2.740 20 0 GFADRO C[C@H](C(=O)N[C@@H](CO)c1ccc(Br)c(F)c1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000412370038 563655822 /nfs/dbraw/zinc/65/58/22/563655822.db2.gz WSGWLZGAVRWVKT-JBBSTSQOSA-N 1 0 387.293 2.999 20 0 GFADRO CN(CC(F)(F)F)C(=O)CN(Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000435689988 563656460 /nfs/dbraw/zinc/65/64/60/563656460.db2.gz ATVDUECAQAEUJD-AWEZNQCLSA-N 1 0 375.460 2.713 20 0 GFADRO C[NH+](C)CCn1ccc(NC(=O)c2cc(Cl)cc(Br)c2F)n1 ZINC000435763909 563658547 /nfs/dbraw/zinc/65/85/47/563658547.db2.gz XERWTNWRKRVVDT-UHFFFAOYSA-N 1 0 389.656 3.252 20 0 GFADRO Cc1c(Br)cc(C(=O)Nc2ccc(C[NH+](C)C)cc2F)c(=O)n1C ZINC000412542815 563661265 /nfs/dbraw/zinc/66/12/65/563661265.db2.gz AJIRZMHALCHDJL-UHFFFAOYSA-N 1 0 396.260 2.909 20 0 GFADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N[C@@H](C)c1ccc(Br)s1 ZINC000435963113 563661311 /nfs/dbraw/zinc/66/13/11/563661311.db2.gz BKEMSRBOLWHWSU-RYUDHWBXSA-N 1 0 389.363 2.507 20 0 GFADRO CC1CC[NH+]([C@H](CN2C(=O)[C@@H]3CSCCN3C2=O)c2cccs2)CC1 ZINC000349293354 563661517 /nfs/dbraw/zinc/66/15/17/563661517.db2.gz GMFQVIUPXYXGAV-CABCVRRESA-N 1 0 379.551 2.901 20 0 GFADRO COc1ccc(C[NH2+]CCC(=O)N(C)Cc2ccccc2Br)cn1 ZINC000436226178 563668526 /nfs/dbraw/zinc/66/85/26/563668526.db2.gz HDEDOPHCTLTYEC-UHFFFAOYSA-N 1 0 392.297 2.991 20 0 GFADRO Cn1ncc(Br)c1CN1CC[C@](CO)(Cc2ccc(F)cc2)C1 ZINC000289222478 563672370 /nfs/dbraw/zinc/67/23/70/563672370.db2.gz ABJDFUJXVLKIRZ-KRWDZBQOSA-N 1 0 382.277 2.749 20 0 GFADRO CCO[C@@H]1C[C@H]([NH2+]Cc2cn3ccc(Br)cc3n2)[C@@]12CCCO2 ZINC000289511230 563676343 /nfs/dbraw/zinc/67/63/43/563676343.db2.gz NAWZOMVJSYPRJJ-UXLLHSPISA-N 1 0 380.286 2.913 20 0 GFADRO Brc1ccccc1-n1cc(C[NH2+]CCCOC2CCOCC2)nn1 ZINC000289511083 563676474 /nfs/dbraw/zinc/67/64/74/563676474.db2.gz NAAVOVIYIKJDBD-UHFFFAOYSA-N 1 0 395.301 2.705 20 0 GFADRO CC(C)[N@H+](C)CC(=O)NC1CCN(Cc2cccc(Br)c2)CC1 ZINC000412972970 563677819 /nfs/dbraw/zinc/67/78/19/563677819.db2.gz OXMMAMFEJIGPIF-UHFFFAOYSA-N 1 0 382.346 2.870 20 0 GFADRO CC[C@H](C(=O)NC1CCN(Cc2cccc(Br)c2)CC1)[NH+](C)C ZINC000412976189 563677993 /nfs/dbraw/zinc/67/79/93/563677993.db2.gz VRQXKQKFDLRDSJ-QGZVFWFLSA-N 1 0 382.346 2.870 20 0 GFADRO Cn1c(COc2ccc(Cl)cc2)nnc1SCC[N@@H+]1CCCOCC1 ZINC000412982838 563678167 /nfs/dbraw/zinc/67/81/67/563678167.db2.gz KNAWMXRRIGDTBV-UHFFFAOYSA-N 1 0 382.917 2.862 20 0 GFADRO COCCC[C@@H]([NH2+]CCCn1cc(CO)nn1)c1ccc(Br)cc1 ZINC000289621047 563680602 /nfs/dbraw/zinc/68/06/02/563680602.db2.gz DNTFYFCPVSVUDM-QGZVFWFLSA-N 1 0 397.317 2.681 20 0 GFADRO C[C@@]1(C[C@@H]2CCC[N@@H+]2Cc2ccc(Br)cc2F)NC(=O)NC1=O ZINC000289699009 563683301 /nfs/dbraw/zinc/68/33/01/563683301.db2.gz ONJJWODHZFITFN-LRDDRELGSA-N 1 0 384.249 2.541 20 0 GFADRO COc1c[nH+]ccc1N1CCN(C(=O)c2ccc(Br)cc2O)CC1 ZINC000436925635 563685441 /nfs/dbraw/zinc/68/54/41/563685441.db2.gz COSIOEKFILFZPE-UHFFFAOYSA-N 1 0 392.253 2.521 20 0 GFADRO [NH3+][C@H]1CCc2nc(NC(=O)[C@@H]3COc4ccc(Br)cc43)sc2C1 ZINC000289966364 563692917 /nfs/dbraw/zinc/69/29/17/563692917.db2.gz PYYSMUQENZDQFD-GXSJLCMTSA-N 1 0 394.294 2.836 20 0 GFADRO CC(C)n1cc(Br)cc1C(=O)N1CCCN(CC[NH+](C)C)CC1 ZINC000360487050 563692932 /nfs/dbraw/zinc/69/29/32/563692932.db2.gz APGGJRUBBOGTOV-UHFFFAOYSA-N 1 0 385.350 2.541 20 0 GFADRO Cc1c(C(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)cnn1-c1ccc(Br)cc1 ZINC000289987356 563693778 /nfs/dbraw/zinc/69/37/78/563693778.db2.gz YECDHQZGWYHNQT-KBPBESRZSA-N 1 0 389.297 2.625 20 0 GFADRO COCC(COC)[NH+]1CCN(c2nccc3cc(Br)ccc32)CC1 ZINC000413484229 563694215 /nfs/dbraw/zinc/69/42/15/563694215.db2.gz YYKGFIHILXTENN-UHFFFAOYSA-N 1 0 394.313 2.781 20 0 GFADRO O=C(CC[C@@H]1CC[NH2+]C1)N1CCC[C@@H]1C(=O)Nc1ccc(Br)cc1 ZINC000361224742 563697586 /nfs/dbraw/zinc/69/75/86/563697586.db2.gz WQBJZRCWZMPMIC-CZUORRHYSA-N 1 0 394.313 2.768 20 0 GFADRO Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000290104216 563698075 /nfs/dbraw/zinc/69/80/75/563698075.db2.gz QQZOWNWULLQGGH-GFCCVEGCSA-N 1 0 378.826 2.808 20 0 GFADRO CO[C@@H](C[NH2+]C1CCN(S(=O)(=O)c2cccs2)CC1)c1ccccc1 ZINC000361269928 563698445 /nfs/dbraw/zinc/69/84/45/563698445.db2.gz AVCNYFFLWLTZMQ-KRWDZBQOSA-N 1 0 380.535 2.879 20 0 GFADRO FC(F)(F)c1cccc(OCC[NH2+]Cc2cnc(C3OCCO3)s2)n1 ZINC000290196692 563700718 /nfs/dbraw/zinc/70/07/18/563700718.db2.gz COMRDJQWTGXHBF-UHFFFAOYSA-N 1 0 375.372 2.771 20 0 GFADRO C[C@@H](Cc1ccc(F)cc1Br)[NH2+]C[C@H]1CCCS(=O)(=O)C1 ZINC000290207680 563701368 /nfs/dbraw/zinc/70/13/68/563701368.db2.gz VMGQDDKEBWQBNP-NWDGAFQWSA-N 1 0 378.307 2.934 20 0 GFADRO [NH3+][C@@H]1CC[C@@H](C(=O)N2CCC[C@H]2C(=O)Nc2ccc(Br)cc2)C1 ZINC000361968714 563702179 /nfs/dbraw/zinc/70/21/79/563702179.db2.gz PAXCZOHJPCZGOO-KYOSRNDESA-N 1 0 380.286 2.506 20 0 GFADRO C[C@@H](O)C[NH+]1CCN(Cc2ccc(Br)c(Br)c2)CC1 ZINC000438279004 563703154 /nfs/dbraw/zinc/70/31/54/563703154.db2.gz FAHFPQBIAYHYKC-LLVKDONJSA-N 1 0 392.135 2.710 20 0 GFADRO O=C1[C@H]([NH2+][C@H]2CCc3c2cc(Br)cc3F)CCN1C1CCOCC1 ZINC000362303219 563705229 /nfs/dbraw/zinc/70/52/29/563705229.db2.gz JSMURCCPRWCNBI-DLBZAZTESA-N 1 0 397.288 2.945 20 0 GFADRO O=C(c1cc(Br)cc(Br)c1)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000290340170 563705330 /nfs/dbraw/zinc/70/53/30/563705330.db2.gz HZRXLJLLTRYKOJ-GXSJLCMTSA-N 1 0 388.103 2.893 20 0 GFADRO CN1CCC([N@@H+]2CC[C@@H](NC(=O)/C=C/c3ccc(Br)s3)C2)CC1 ZINC000362711123 563708800 /nfs/dbraw/zinc/70/88/00/563708800.db2.gz NMXKRNATWCBIFI-MASHWEEQSA-N 1 0 398.370 2.809 20 0 GFADRO C[C@@H]1C[N@@H+](C[C@@H](O)Cn2ccnc2-c2cccc(Br)c2)C[C@H](C)O1 ZINC000438829835 563712040 /nfs/dbraw/zinc/71/20/40/563712040.db2.gz RUDOHSZMFXOQAI-JKIFEVAISA-N 1 0 394.313 2.783 20 0 GFADRO CCn1cc(Br)cc1C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000363025524 563712414 /nfs/dbraw/zinc/71/24/14/563712414.db2.gz LTTWLCSLXDRCDI-ZDUSSCGKSA-N 1 0 384.318 2.501 20 0 GFADRO C[N@@H+]1CC[C@@H](CNC(=O)c2cc(C(N)=O)cs2)[C@@H]1c1cccc(Cl)c1 ZINC000363066219 563713472 /nfs/dbraw/zinc/71/34/72/563713472.db2.gz MHDCOQKKZXHVNV-LRDDRELGSA-N 1 0 377.897 2.923 20 0 GFADRO C[C@H]1C[N@@H+](C2CCN(C(=O)COc3ccc(Br)cc3)CC2)CCO1 ZINC000363089815 563714230 /nfs/dbraw/zinc/71/42/30/563714230.db2.gz NJWDSJAUFRAVDN-AWEZNQCLSA-N 1 0 397.313 2.540 20 0 GFADRO CC(C)c1noc(CCC[NH2+][C@H](C)Cn2cc(Br)ccc2=O)n1 ZINC000414065556 563717503 /nfs/dbraw/zinc/71/75/03/563717503.db2.gz FYHAUPJNUDVPJG-GFCCVEGCSA-N 1 0 383.290 2.728 20 0 GFADRO CNS(=O)(=O)CC[NH2+][C@H](c1ccc(Br)cc1Cl)C1CC1 ZINC000439143265 563718094 /nfs/dbraw/zinc/71/80/94/563718094.db2.gz BEBYJFUBOIEANY-ZDUSSCGKSA-N 1 0 381.723 2.692 20 0 GFADRO CCc1ccc([C@H](CO)[NH2+][C@@H](C)Cn2cc(Br)ccc2=O)cc1 ZINC000414111832 563719421 /nfs/dbraw/zinc/71/94/21/563719421.db2.gz XMNKEAXPZBSHFD-GUYCJALGSA-N 1 0 379.298 2.885 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2C(=O)Cc1ccc(Br)s1 ZINC000363332165 563719830 /nfs/dbraw/zinc/71/98/30/563719830.db2.gz VCLJRLXCJQKIMH-KWCYVHTRSA-N 1 0 387.343 2.763 20 0 GFADRO C[NH+]1CCN(C[C@H](O)COc2cc(Cl)c(Br)cc2Cl)CC1 ZINC000414127464 563720328 /nfs/dbraw/zinc/72/03/28/563720328.db2.gz PVHKVIYZNZCCOJ-JTQLQIEISA-N 1 0 398.128 2.743 20 0 GFADRO Cc1cccc2c1OC[C@@H]([NH2+][C@@H](C)Cn1cc(Br)ccc1=O)C2 ZINC000414148589 563720883 /nfs/dbraw/zinc/72/08/83/563720883.db2.gz SWZZHDWVFUHYCO-BBRMVZONSA-N 1 0 377.282 2.901 20 0 GFADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@@]1(CO)C[C@H]1c1ccccc1 ZINC000414139781 563720955 /nfs/dbraw/zinc/72/09/55/563720955.db2.gz HLNKGDSSSIBBSQ-DKSSEZFCSA-N 1 0 391.309 2.755 20 0 GFADRO Cc1ccc(C[C@H](CO)[NH2+][C@H](C)Cn2cc(Br)ccc2=O)cc1C ZINC000414152016 563720967 /nfs/dbraw/zinc/72/09/67/563720967.db2.gz QHCQGPJVFRDKRY-CRAIPNDOSA-N 1 0 393.325 2.809 20 0 GFADRO Cc1ncc(S(=O)(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)s1 ZINC000363445906 563722638 /nfs/dbraw/zinc/72/26/38/563722638.db2.gz DEQOBPMZBYKCHP-PBHICJAKSA-N 1 0 379.551 2.983 20 0 GFADRO COCC[N@@H+]1CCCN(C(=O)[C@@H]2C[C@H]2c2ccc(Br)cc2)CC1 ZINC000363440611 563723000 /nfs/dbraw/zinc/72/30/00/563723000.db2.gz BKPLDWPBORREOC-DLBZAZTESA-N 1 0 381.314 2.733 20 0 GFADRO C[C@@H]1CC[N@H+](C)CCN1C(=O)C(=O)Nc1cc(Cl)cc(C(F)(F)F)c1 ZINC000439344697 563723185 /nfs/dbraw/zinc/72/31/85/563723185.db2.gz FLQYRTFTCUFWEL-SNVBAGLBSA-N 1 0 377.794 2.850 20 0 GFADRO CN(Cc1ccc(Cl)s1)C(=O)CN1CCC[C@H](N2CCCCC2=O)C1 ZINC000363501508 563724467 /nfs/dbraw/zinc/72/44/67/563724467.db2.gz YHRDHLDKVYQWFF-AWEZNQCLSA-N 1 0 383.945 2.837 20 0 GFADRO CN(CCNCc1ccnc(Cl)c1Cl)S(=O)(=O)c1cccs1 ZINC000290885566 563725020 /nfs/dbraw/zinc/72/50/20/563725020.db2.gz MMYXTONHFJLQTA-UHFFFAOYSA-N 1 0 380.322 2.860 20 0 GFADRO C[C@H](Cc1ccc(O)cc1)[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000414322323 563726194 /nfs/dbraw/zinc/72/61/94/563726194.db2.gz FODSQZABODUAJY-LLVKDONJSA-N 1 0 399.310 2.523 20 0 GFADRO CS(=O)(=O)c1ccc(C[NH2+]C[C@@H]2CCN(CCc3ccccc3)C2)s1 ZINC000414330042 563726990 /nfs/dbraw/zinc/72/69/90/563726990.db2.gz REJKYJPNZNYLRN-KRWDZBQOSA-N 1 0 378.563 2.806 20 0 GFADRO C[C@@H](O)C[C@@H](C[NH2+]Cc1ccc(S(N)(=O)=O)c(Cl)c1)c1ccccc1 ZINC000414385000 563732094 /nfs/dbraw/zinc/73/20/94/563732094.db2.gz WDSWBGHQGVBKDP-CJNGLKHVSA-N 1 0 382.913 2.632 20 0 GFADRO O=S(=O)(N1CCC([NH2+][C@H]2CCCc3ccc(O)cc32)CC1)C(F)(F)F ZINC000291209204 563734840 /nfs/dbraw/zinc/73/48/40/563734840.db2.gz MQDFYRPWIQCGSU-HNNXBMFYSA-N 1 0 378.416 2.673 20 0 GFADRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NS(=O)(=O)c1ccc(OCC(F)F)cc1 ZINC000440079500 563735719 /nfs/dbraw/zinc/73/57/19/563735719.db2.gz YOCLGQLMEGJSED-KBPBESRZSA-N 1 0 376.469 2.729 20 0 GFADRO C[N@@H+]1CCC[C@H](CNS(=O)(=O)[C@@H]2CCCOC2)[C@@H]1c1cccc(Cl)c1 ZINC000363973465 563738266 /nfs/dbraw/zinc/73/82/66/563738266.db2.gz OVZCNOGERYUYNJ-NXHRZFHOSA-N 1 0 386.945 2.821 20 0 GFADRO C[NH+](C)CCN(C1CC1)S(=O)(=O)c1cc(Cl)c(Br)cc1F ZINC000414454261 563738943 /nfs/dbraw/zinc/73/89/43/563738943.db2.gz AKIGOKWHLBMRBY-UHFFFAOYSA-N 1 0 399.713 2.956 20 0 GFADRO C[N@@H+]1C[C@H](NS(=O)(=O)Cc2cc(Cl)ccc2F)[C@@H](c2ccccc2)C1 ZINC000414457851 563739734 /nfs/dbraw/zinc/73/97/34/563739734.db2.gz GUJLMTOOMRCRHZ-AEFFLSMTSA-N 1 0 382.888 2.996 20 0 GFADRO CC(C)c1ccc([C@H]([NH3+])CNS(=O)(=O)c2cncc(Br)c2)cc1 ZINC000440355179 563740293 /nfs/dbraw/zinc/74/02/93/563740293.db2.gz LJYWXONPHINWQE-MRXNPFEDSA-N 1 0 398.326 2.946 20 0 GFADRO CC(C)C[C@@H](C[NH3+])NS(=O)(=O)c1cc(Br)sc1Cl ZINC000440415124 563741777 /nfs/dbraw/zinc/74/17/77/563741777.db2.gz QBNSNNDUXVGWES-ZETCQYMHSA-N 1 0 375.741 2.816 20 0 GFADRO COc1cc(C)c(Br)cc1S(=O)(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000440412982 563741855 /nfs/dbraw/zinc/74/18/55/563741855.db2.gz WGRUDEGHTOXKPX-NWDGAFQWSA-N 1 0 391.331 2.514 20 0 GFADRO Cc1cc(Br)cc(C)c1S(=O)(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000440450725 563742134 /nfs/dbraw/zinc/74/21/34/563742134.db2.gz YXWAXNKCIFFWPJ-CHWSQXEVSA-N 1 0 375.332 2.814 20 0 GFADRO COC(=O)CN1CCC([NH2+]Cc2cccc(Br)c2Cl)CC1 ZINC000414481449 563744203 /nfs/dbraw/zinc/74/42/03/563744203.db2.gz LPGSAQRXEIOGGH-UHFFFAOYSA-N 1 0 375.694 2.830 20 0 GFADRO O=C(CSc1n[n-]c(=S)s1)NC[C@@H]1CCC[N@@H+]1CCc1ccccc1 ZINC000364224856 563746845 /nfs/dbraw/zinc/74/68/45/563746845.db2.gz VKLKZCDIDYOZIX-AWEZNQCLSA-N 1 0 394.591 2.742 20 0 GFADRO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@@H](CO)[C@H]1CCCOC1 ZINC000414569763 563747200 /nfs/dbraw/zinc/74/72/00/563747200.db2.gz ZTHBWYYLQPSBQR-WWGRRREGSA-N 1 0 385.302 2.543 20 0 GFADRO OC[C@@H]([NH2+]Cc1ccc(OC(F)F)c(Br)c1)[C@@H]1CCCOC1 ZINC000414566999 563747212 /nfs/dbraw/zinc/74/72/12/563747212.db2.gz XLJCJLNARASFEQ-DGCLKSJQSA-N 1 0 380.229 2.928 20 0 GFADRO O=S(=O)(c1cc(Cl)c(Br)cc1F)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000440739534 563748848 /nfs/dbraw/zinc/74/88/48/563748848.db2.gz BJPAKDFYEOKXDU-CYBMUJFWSA-N 1 0 397.697 2.616 20 0 GFADRO [NH3+]C[C@H]1CCCN(S(=O)(=O)c2cc(Cl)c(Br)cc2F)C1 ZINC000440743217 563749020 /nfs/dbraw/zinc/74/90/20/563749020.db2.gz XLWVHYOSNHYFTP-MRVPVSSYSA-N 1 0 385.686 2.601 20 0 GFADRO C[C@H]1CN(C(=O)NCCc2ccc(Cl)s2)CCN1C1CC[NH+](C)CC1 ZINC000364306023 563749059 /nfs/dbraw/zinc/74/90/59/563749059.db2.gz QUKACRDQGCQFDZ-AWEZNQCLSA-N 1 0 384.977 2.754 20 0 GFADRO C[C@@H]([NH3+])C1CCN(S(=O)(=O)c2cc(Cl)ccc2Br)CC1 ZINC000440745682 563749726 /nfs/dbraw/zinc/74/97/26/563749726.db2.gz GZZYHBDUSKCXAL-SECBINFHSA-N 1 0 381.723 2.850 20 0 GFADRO Cc1cc(I)ccc1NC(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000414679151 563750289 /nfs/dbraw/zinc/75/02/89/563750289.db2.gz LFFRQXOVSLPVEM-FZMZJTMJSA-N 1 0 385.249 2.815 20 0 GFADRO COc1ccc(S(=O)(=O)NC[C@H]2[NH2+]CCCC2(C)C)c(Br)c1 ZINC000440846886 563751559 /nfs/dbraw/zinc/75/15/59/563751559.db2.gz NZJGTIZFSISDAB-CQSZACIVSA-N 1 0 391.331 2.514 20 0 GFADRO [NH3+][C@@H]1CCC[C@H]2CN(S(=O)(=O)c3ccc(Cl)cc3Br)C[C@H]21 ZINC000440838800 563751787 /nfs/dbraw/zinc/75/17/87/563751787.db2.gz VZJMKFPDOHOWRO-UFGOTCBOSA-N 1 0 393.734 2.850 20 0 GFADRO C[C@H]1C[C@H](C[NH3+])CN1S(=O)(=O)c1ccc2cc(Br)ccc2c1 ZINC000440841795 563751829 /nfs/dbraw/zinc/75/18/29/563751829.db2.gz DDIFOQDXYDJJHT-NWDGAFQWSA-N 1 0 383.311 2.960 20 0 GFADRO [NH3+]C[C@H]1CCCN1C(=O)Nc1ccc(I)cc1Cl ZINC000414789160 563752983 /nfs/dbraw/zinc/75/29/83/563752983.db2.gz FGFYBKSLDKMQGS-SECBINFHSA-N 1 0 379.629 2.900 20 0 GFADRO CC(C)c1nn(-c2ccc(Br)cc2)cc1CN(CC[NH3+])CCO ZINC000414913232 563754204 /nfs/dbraw/zinc/75/42/04/563754204.db2.gz MDELRNKFLSWDAG-UHFFFAOYSA-N 1 0 381.318 2.511 20 0 GFADRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)c2nc(C3CC3)ncc2Br)C1 ZINC000291693140 563754205 /nfs/dbraw/zinc/75/42/05/563754205.db2.gz FTTBZTZKXSVTIH-GFCCVEGCSA-N 1 0 381.318 2.967 20 0 GFADRO C[C@H](CCC[NH3+])NC(=O)Nc1cc(Br)ccc1N1CCOCC1 ZINC000414935690 563754500 /nfs/dbraw/zinc/75/45/00/563754500.db2.gz WBSUREVJANHUSZ-GFCCVEGCSA-N 1 0 385.306 2.535 20 0 GFADRO CCOC(=O)COc1c(Br)cc(C)cc1CN[C@H]1CC[NH2+]C[C@@H]1C ZINC000414930894 563754551 /nfs/dbraw/zinc/75/45/51/563754551.db2.gz BLCLRBZLTPPLGS-BBRMVZONSA-N 1 0 399.329 2.787 20 0 GFADRO COC[C@]1(CNC(=O)Nc2c(C)cc(Br)cc2OC)CCC[NH2+]1 ZINC000414987620 563756409 /nfs/dbraw/zinc/75/64/09/563756409.db2.gz KQNKEDRSJIOLLV-MRXNPFEDSA-N 1 0 386.290 2.656 20 0 GFADRO COc1cc(Br)c(NC(=O)N2CC[C@H](C)[C@@H](C[NH3+])C2)cc1OC ZINC000414987774 563756474 /nfs/dbraw/zinc/75/64/74/563756474.db2.gz DYPMPKNEMOSABG-QWRGUYRKSA-N 1 0 386.290 2.915 20 0 GFADRO C[C@H](CC(=O)Nc1ccc(Br)cc1)N[C@H]1C[NH2+]CCC1(F)F ZINC000415009792 563756980 /nfs/dbraw/zinc/75/69/80/563756980.db2.gz XQDZUFZQDYEBPU-MFKMUULPSA-N 1 0 376.245 2.753 20 0 GFADRO O=C(CC[C@H]1CCC[NH2+]1)NCc1nnc2c(Cl)cc(C(F)(F)F)cn12 ZINC000291752280 563757120 /nfs/dbraw/zinc/75/71/20/563757120.db2.gz KHTJYMBAKZULGS-SNVBAGLBSA-N 1 0 375.782 2.550 20 0 GFADRO CCOc1cc(CN[C@@H]2C[NH2+]CCC2(F)F)cc(Br)c1OC ZINC000414999973 563757256 /nfs/dbraw/zinc/75/72/56/563757256.db2.gz KYZUNPFYAIEWSO-CYBMUJFWSA-N 1 0 379.245 2.943 20 0 GFADRO COCC1(C[NH2+]Cc2cc(OC)c(OC)cc2Br)CCOCC1 ZINC000291751011 563757345 /nfs/dbraw/zinc/75/73/45/563757345.db2.gz QFYBNVOPGNCMKO-UHFFFAOYSA-N 1 0 388.302 2.999 20 0 GFADRO [NH3+]CC[C@H](NCc1ccc(Br)cc1N1CCOCC1)C(F)(F)F ZINC000415054233 563757609 /nfs/dbraw/zinc/75/76/09/563757609.db2.gz LHOVSLDNSUVLIG-AWEZNQCLSA-N 1 0 396.251 2.655 20 0 GFADRO COc1ccc(I)c(NC(=O)N[C@@H]2CC[C@H](C[NH3+])C2)c1 ZINC000415072164 563757756 /nfs/dbraw/zinc/75/77/56/563757756.db2.gz LPGVBAHISLWWAC-VHSXEESVSA-N 1 0 389.237 2.549 20 0 GFADRO COc1ccc(I)c(NC(=O)N2CC[C@@H]([NH3+])[C@H](C)C2)c1 ZINC000415071854 563757913 /nfs/dbraw/zinc/75/79/13/563757913.db2.gz LBCUZBSLYROQHP-BXKDBHETSA-N 1 0 389.237 2.501 20 0 GFADRO COc1ccc(I)c(NC(=O)N2CCCC[C@H]2C[NH3+])c1 ZINC000415074770 563758630 /nfs/dbraw/zinc/75/86/30/563758630.db2.gz PVBNMSVRVAAPMP-JTQLQIEISA-N 1 0 389.237 2.645 20 0 GFADRO COc1ccc(I)c(NC(=O)N[C@H]2CC[NH2+][C@@H](C)C2)c1 ZINC000415075635 563758654 /nfs/dbraw/zinc/75/86/54/563758654.db2.gz QZYFXWAIRMLSOS-UWVGGRQHSA-N 1 0 389.237 2.562 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)Nc2cc(F)c(I)c(F)c2)C1 ZINC000415113736 563759524 /nfs/dbraw/zinc/75/95/24/563759524.db2.gz FIRSPQNMMIVJJH-HTQZYQBOSA-N 1 0 395.191 2.770 20 0 GFADRO CN(C)c1ccccc1C[NH2+]CCNS(=O)(=O)c1ccc(Cl)cc1F ZINC000441389426 563759882 /nfs/dbraw/zinc/75/98/82/563759882.db2.gz ZLQJFNUVFDRDEO-UHFFFAOYSA-N 1 0 385.892 2.613 20 0 GFADRO O=C1N[C@H]2CN(Cc3ccc(Cl)cc3Cl)CC[C@H]2N1C1CC[NH2+]CC1 ZINC000415134372 563760173 /nfs/dbraw/zinc/76/01/73/563760173.db2.gz DQNGCDZPDGRIEC-DLBZAZTESA-N 1 0 383.323 2.714 20 0 GFADRO CCOc1ccc(Br)cc1NC(=O)NC[C@@]1(COC)CCC[NH2+]1 ZINC000415124036 563760346 /nfs/dbraw/zinc/76/03/46/563760346.db2.gz MCVRZFQYTYFQBS-MRXNPFEDSA-N 1 0 386.290 2.738 20 0 GFADRO [NH3+]Cc1cn([C@H]2CCCN(Cc3cc(Br)ccc3Cl)C2)nn1 ZINC000415134914 563760350 /nfs/dbraw/zinc/76/03/50/563760350.db2.gz WIYIUDLYYQEEEH-AWEZNQCLSA-N 1 0 384.709 2.990 20 0 GFADRO Brc1ccc(C[NH2+][C@H]2CCc3c[nH]nc3C2)c(N2CCOCC2)c1 ZINC000364679193 563761017 /nfs/dbraw/zinc/76/10/17/563761017.db2.gz RHGUELGRSUNUBA-INIZCTEOSA-N 1 0 391.313 2.656 20 0 GFADRO CC1(C)[NH2+]CC[C@@H]1NC(=O)Nc1cc(Br)ccc1-n1cccn1 ZINC000415166193 563761227 /nfs/dbraw/zinc/76/12/27/563761227.db2.gz RCURETFHGXCEKK-AWEZNQCLSA-N 1 0 378.274 2.897 20 0 GFADRO C[C@@](C[NH3+])(NC(=O)Nc1cc(Br)ccc1-n1cccn1)C1CC1 ZINC000415153923 563761234 /nfs/dbraw/zinc/76/12/34/563761234.db2.gz DFVFNSXIKZEIQA-INIZCTEOSA-N 1 0 378.274 2.884 20 0 GFADRO Cc1cc(COc2ccc(C(=O)NC[C@@H](C)C[NH3+])cc2Br)on1 ZINC000441621678 563762771 /nfs/dbraw/zinc/76/27/71/563762771.db2.gz PHWJKOKSCZKWAW-JTQLQIEISA-N 1 0 382.258 2.649 20 0 GFADRO Cc1nc2cc(Cl)c(NC(=O)C(=O)NCC3([NH3+])CCCCC3)cc2s1 ZINC000415276331 563764889 /nfs/dbraw/zinc/76/48/89/563764889.db2.gz CYFPUJKXOLNSHD-UHFFFAOYSA-N 1 0 380.901 2.974 20 0 GFADRO Cn1cc(NC(=O)N[C@@H](CCC[NH3+])c2ccccc2)cc(Br)c1=O ZINC000415270358 563765075 /nfs/dbraw/zinc/76/50/75/563765075.db2.gz OFWJWWXGJBJTRA-HNNXBMFYSA-N 1 0 393.285 2.750 20 0 GFADRO COC(=O)c1cc(Br)ccc1NC(=O)NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000415323420 563766809 /nfs/dbraw/zinc/76/68/09/563766809.db2.gz CNNYNJCSEMGPMO-JQWIXIFHSA-N 1 0 384.274 2.875 20 0 GFADRO COC(=O)c1cc(Br)ccc1NC(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000415322146 563766894 /nfs/dbraw/zinc/76/68/94/563766894.db2.gz BKISUAMGSLMYQS-MNOVXSKESA-N 1 0 384.274 2.827 20 0 GFADRO COc1ccc(Br)cc1NC(=O)C(=O)NCC1([NH3+])CCCCCC1 ZINC000415315674 563766915 /nfs/dbraw/zinc/76/69/15/563766915.db2.gz LLKYROBYHSBWEY-UHFFFAOYSA-N 1 0 398.301 2.564 20 0 GFADRO COC(=O)c1cc(Br)ccc1NC(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000415332111 563767425 /nfs/dbraw/zinc/76/74/25/563767425.db2.gz NEUDPSDCOSAOBB-QWRGUYRKSA-N 1 0 384.274 2.684 20 0 GFADRO COC(=O)c1cc(Br)ccc1NC(=O)N1CC[C@H](C)C[C@H]1C[NH3+] ZINC000415334363 563767503 /nfs/dbraw/zinc/76/75/03/563767503.db2.gz PSZGEDXRCRBJCQ-JQWIXIFHSA-N 1 0 384.274 2.827 20 0 GFADRO CCOC(=O)c1cc(Br)ccc1NC(=O)N1CCC[C@H]1C[NH2+]C ZINC000415344067 563767991 /nfs/dbraw/zinc/76/79/91/563767991.db2.gz CQUWMTOLZMMCRH-LBPRGKRZSA-N 1 0 384.274 2.842 20 0 GFADRO CCOC(=O)c1cc(Br)ccc1NC(=O)N1CCC[C@@H]1C[NH2+]C ZINC000415344066 563768051 /nfs/dbraw/zinc/76/80/51/563768051.db2.gz CQUWMTOLZMMCRH-GFCCVEGCSA-N 1 0 384.274 2.842 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)CC[N@@H+]1C ZINC000442143487 563768371 /nfs/dbraw/zinc/76/83/71/563768371.db2.gz GYLJYTWJUZQDTO-KOLCDFICSA-N 1 0 377.794 2.896 20 0 GFADRO C[C@H](CO)[N@@H+]1CCCN(C(=O)c2csc(-c3cccc(Cl)c3)n2)CC1 ZINC000364921523 563768862 /nfs/dbraw/zinc/76/88/62/563768862.db2.gz JJOHOAVWRGWQQN-CYBMUJFWSA-N 1 0 379.913 2.992 20 0 GFADRO C[C@@H](CO)[N@@H+]1CCCN(C(=O)c2cc3c(cc(Br)cc3F)[nH]2)CC1 ZINC000364932067 563768888 /nfs/dbraw/zinc/76/88/88/563768888.db2.gz IRXFQRPGTNFXPP-NSHDSACASA-N 1 0 398.276 2.598 20 0 GFADRO C[C@@H](C(=O)N1CCC([N@H+](C)CCCO)CC1)c1cccc(Br)c1 ZINC000292005098 563769181 /nfs/dbraw/zinc/76/91/81/563769181.db2.gz XOCAHHVHMQCZJG-CQSZACIVSA-N 1 0 383.330 2.858 20 0 GFADRO CCOC(=O)c1cc(Br)ccc1NC(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000415351313 563769447 /nfs/dbraw/zinc/76/94/47/563769447.db2.gz NOYAHCWUJWBNFD-RYUDHWBXSA-N 1 0 396.285 2.699 20 0 GFADRO C[C@]1(C[NH3+])CCN(C(=O)Nc2cnn(-c3ccccc3Br)c2)C1 ZINC000415354619 563770229 /nfs/dbraw/zinc/77/02/29/563770229.db2.gz NSIXCJHEMFLFFR-MRXNPFEDSA-N 1 0 378.274 2.837 20 0 GFADRO O=C(NCC[C@@H]1CC[NH2+]C1)Nc1cccc(F)c1I ZINC000415361624 563770666 /nfs/dbraw/zinc/77/06/66/563770666.db2.gz NOHYOCRBFFGJBP-VIFPVBQESA-N 1 0 377.201 2.551 20 0 GFADRO CN1C(=O)C[C@@H](C(=O)NC[C@H]2CC[N@H+](C)C2)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000364992677 563771180 /nfs/dbraw/zinc/77/11/80/563771180.db2.gz IWDQJBXDXXZVBB-NDGTYSDOSA-N 1 0 384.307 2.581 20 0 GFADRO Cc1cc(F)c(NC(=O)N[C@@H]2C[NH2+]CC[C@H]2C)c(I)c1 ZINC000415394148 563772493 /nfs/dbraw/zinc/77/24/93/563772493.db2.gz QGQUENWVNDCTDL-BXKDBHETSA-N 1 0 391.228 2.858 20 0 GFADRO COCC1(CNC(=O)Nc2cc(F)c(Br)c(F)c2)CC[NH2+]CC1 ZINC000415400492 563772612 /nfs/dbraw/zinc/77/26/12/563772612.db2.gz FTNBHXMQMJUEFZ-UHFFFAOYSA-N 1 0 392.244 2.865 20 0 GFADRO Cc1cc(F)c(NC(=O)N2CC[C@H]([NH3+])[C@@H]2C)c(I)c1 ZINC000415407893 563773293 /nfs/dbraw/zinc/77/32/93/563773293.db2.gz QZXBPSBZQFSCEX-KWQFWETISA-N 1 0 377.201 2.692 20 0 GFADRO Cc1csc(Sc2ccc(NC(=O)C(=O)N(C)[C@H](C)C[NH3+])c(C)c2)n1 ZINC000415412756 563773647 /nfs/dbraw/zinc/77/36/47/563773647.db2.gz CSSCNPUESZNTOY-GFCCVEGCSA-N 1 0 378.523 2.655 20 0 GFADRO O=C(NCC[C@@H]1CCC[NH2+]C1)C(=O)Nc1cccc(Br)c1Cl ZINC000415412521 563773809 /nfs/dbraw/zinc/77/38/09/563773809.db2.gz XQJNWBMMKCZMAU-JTQLQIEISA-N 1 0 388.693 2.547 20 0 GFADRO O=C(NCC[C@@H]1CCC[NH2+]C1)C(=O)Nc1cc(Cl)ccc1Br ZINC000415409376 563773812 /nfs/dbraw/zinc/77/38/12/563773812.db2.gz SPZBJVUUXJFCKI-JTQLQIEISA-N 1 0 388.693 2.547 20 0 GFADRO C[N@@H+]1CC[C@@]2(CCN(Cc3nc(Cc4cccc(Br)c4)no3)C2)C1 ZINC000292103623 563773998 /nfs/dbraw/zinc/77/39/98/563773998.db2.gz IHEBVZJMARMKSY-GOSISDBHSA-N 1 0 391.313 2.951 20 0 GFADRO C[C@H](C[NH3+])N(C)C(=O)C(=O)Nc1cc(Cl)ccc1SCC(F)(F)F ZINC000415423830 563774341 /nfs/dbraw/zinc/77/43/41/563774341.db2.gz ZNNOWOWSBFKQRT-MRVPVSSYSA-N 1 0 383.823 2.739 20 0 GFADRO CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)Nc2cc(Cl)c(OC)c(Cl)c2)C1 ZINC000442573831 563774438 /nfs/dbraw/zinc/77/44/38/563774438.db2.gz MOJOMIDZPKURNG-LBPRGKRZSA-N 1 0 388.295 2.883 20 0 GFADRO [NH3+][C@@H]1CCC[C@@]12CCN(C(=O)C[C@@H]1Sc3ccc(Cl)cc3NC1=O)C2 ZINC000365107181 563774789 /nfs/dbraw/zinc/77/47/89/563774789.db2.gz YAFRZQSLKZWYNB-DAYGRLMNSA-N 1 0 379.913 2.873 20 0 GFADRO COCCOc1ccc(Br)cc1NC(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000415425940 563774855 /nfs/dbraw/zinc/77/48/55/563774855.db2.gz MEEYCNMCKVGCND-OLZOCXBDSA-N 1 0 386.290 2.866 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)Nc2cc(Cl)ccc2C(F)(F)F)C1 ZINC000415433553 563775679 /nfs/dbraw/zinc/77/56/79/563775679.db2.gz GSZIAYGLZWBPJR-VHSXEESVSA-N 1 0 377.794 2.883 20 0 GFADRO [NH3+]C[C@@H](NC(=O)C(=O)Nc1c(F)cccc1Br)C1CCCCC1 ZINC000415433406 563775693 /nfs/dbraw/zinc/77/56/93/563775693.db2.gz XFJQINXFWBOZIL-CYBMUJFWSA-N 1 0 386.265 2.551 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)Nc2cc(Cl)ccc2C(F)(F)F)C1 ZINC000415433555 563775771 /nfs/dbraw/zinc/77/57/71/563775771.db2.gz GSZIAYGLZWBPJR-ZJUUUORDSA-N 1 0 377.794 2.883 20 0 GFADRO CC(C)[C@H](CNC(=O)[C@@H](C)c1cccc(Br)c1)[NH+]1CCN(C)CC1 ZINC000292144583 563776100 /nfs/dbraw/zinc/77/61/00/563776100.db2.gz OYTJWIHIJSVRJO-YJBOKZPZSA-N 1 0 396.373 2.941 20 0 GFADRO C[C@@H]1CN(C(=O)C(=O)Nc2cccc(Cl)c2SCC(F)F)CC[C@@H]1[NH3+] ZINC000415450586 563776270 /nfs/dbraw/zinc/77/62/70/563776270.db2.gz JVMLTMJLWKPVPF-KOLCDFICSA-N 1 0 391.871 2.831 20 0 GFADRO CCOc1c(Cl)cc(NC(=O)C(=O)N2CCC[C@@H]([C@H](C)[NH3+])C2)cc1Cl ZINC000415442104 563776447 /nfs/dbraw/zinc/77/64/47/563776447.db2.gz PSPRPRYFFWXHIQ-WDEREUQCSA-N 1 0 388.295 2.916 20 0 GFADRO Cc1cc(Cl)cc(NC(=O)C(=O)N2CC[C@H]([NH3+])[C@H](C)C2)c1Br ZINC000415442455 563776473 /nfs/dbraw/zinc/77/64/73/563776473.db2.gz NLGBFHIAQAEZDI-KOLCDFICSA-N 1 0 388.693 2.545 20 0 GFADRO Cc1ccc(NC(=O)C(=O)N2CCC([NH2+]CC3CC3)CC2)c(Br)c1 ZINC000415452349 563776974 /nfs/dbraw/zinc/77/69/74/563776974.db2.gz OZSDALFDSVXZFT-UHFFFAOYSA-N 1 0 394.313 2.687 20 0 GFADRO COC(=O)c1cc(Br)c(F)cc1NC(=O)N[C@@](C)(C[NH3+])C1CC1 ZINC000415466267 563777722 /nfs/dbraw/zinc/77/77/22/563777722.db2.gz GYFYLXUWXXQZIQ-HNNXBMFYSA-N 1 0 388.237 2.624 20 0 GFADRO COC(=O)c1scc(C)c1S(=O)(=O)NC[C@H]1CCCC[N@@H+]1CC(C)C ZINC000442745127 563778045 /nfs/dbraw/zinc/77/80/45/563778045.db2.gz NYACCJXSIAPMOW-CQSZACIVSA-N 1 0 388.555 2.632 20 0 GFADRO CN(CC(=O)Nc1c(F)cc(F)cc1Br)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442779189 563779371 /nfs/dbraw/zinc/77/93/71/563779371.db2.gz IKKIQNWVLLVMHD-FOSCPWQOSA-N 1 0 388.256 2.881 20 0 GFADRO [NH3+]C[C@@H]1CC[C@H](NC(=O)Nc2nnc(-c3cccc(Br)c3)s2)C1 ZINC000415508391 563780161 /nfs/dbraw/zinc/78/01/61/563780161.db2.gz XVOQQZRHVMYZTH-SKDRFNHKSA-N 1 0 396.314 3.217 20 0 GFADRO C[NH+](C)[C@@H]1CCCN(C(=O)/C=C/c2ccc(I)o2)CC1 ZINC000365293111 563780181 /nfs/dbraw/zinc/78/01/81/563780181.db2.gz CNSLOBRALFYZAE-WAFBPQNNSA-N 1 0 388.249 2.840 20 0 GFADRO C[C@H](CCC[NH3+])NC(=O)Nc1ccnn1Cc1ccccc1Br ZINC000415519366 563780650 /nfs/dbraw/zinc/78/06/50/563780650.db2.gz FXUDFMZTFNBWDH-GFCCVEGCSA-N 1 0 380.290 2.943 20 0 GFADRO O=C(c1cc(=O)[nH]c2ccc(Br)cc21)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000365371754 563780888 /nfs/dbraw/zinc/78/08/88/563780888.db2.gz IAMPCGBBSIVMAD-MEBBXXQBSA-N 1 0 376.254 2.527 20 0 GFADRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)Nc1ccnn1Cc1ccccc1Br ZINC000415519387 563781242 /nfs/dbraw/zinc/78/12/42/563781242.db2.gz FZSZDOBIXKGXIP-STQMWFEESA-N 1 0 392.301 2.895 20 0 GFADRO [NH3+]C[C@H](NC(=O)Nc1ccnn1Cc1ccccc1Br)C1CC1 ZINC000415522817 563781262 /nfs/dbraw/zinc/78/12/62/563781262.db2.gz NTZOKTDPYIFUFC-AWEZNQCLSA-N 1 0 378.274 2.553 20 0 GFADRO CC1(C)[C@H]([NH2+]CCNS(=O)(=O)c2ccc(Cl)cc2F)[C@H]2CCCO[C@@H]21 ZINC000442863428 563781821 /nfs/dbraw/zinc/78/18/21/563781821.db2.gz QVKDVVHZOPJSFJ-WQVCFCJDSA-N 1 0 390.908 2.551 20 0 GFADRO O=C(c1ccc(Br)c(F)c1)N1CCC[N@@H+](C2CCOCC2)CC1 ZINC000365398862 563782490 /nfs/dbraw/zinc/78/24/90/563782490.db2.gz LQHANZGEWOAQJW-UHFFFAOYSA-N 1 0 385.277 2.915 20 0 GFADRO O=C(NC[C@H]1CCC[NH2+]C1)Nc1ccnn1Cc1cccc(Br)c1 ZINC000415528360 563782740 /nfs/dbraw/zinc/78/27/40/563782740.db2.gz PFZOCDWPUDQJRW-AWEZNQCLSA-N 1 0 392.301 2.815 20 0 GFADRO COCC[NH2+]CCNC(=O)Nc1ccnn1Cc1cccc(Cl)c1Cl ZINC000415526409 563782763 /nfs/dbraw/zinc/78/27/63/563782763.db2.gz ZKESZBXICMTLES-UHFFFAOYSA-N 1 0 386.283 2.596 20 0 GFADRO C[C@@H]1CC[N@H+](CCCOc2cccc(I)c2)[C@H]1CO ZINC000442889337 563782999 /nfs/dbraw/zinc/78/29/99/563782999.db2.gz DWHIVVLCKKSCFB-DOMZBBRYSA-N 1 0 375.250 2.763 20 0 GFADRO C[NH2+]CC1CCN(C(=O)Nc2cc(Br)c(OC)cc2OC)CC1 ZINC000415532598 563783301 /nfs/dbraw/zinc/78/33/01/563783301.db2.gz ZLXNEONBNMSGCQ-UHFFFAOYSA-N 1 0 386.290 2.930 20 0 GFADRO CC1(NC(=O)Nc2ccnn2Cc2ccc(Br)cc2)CC[NH2+]CC1 ZINC000415536391 563783998 /nfs/dbraw/zinc/78/39/98/563783998.db2.gz XXACSJDBKYFPOZ-UHFFFAOYSA-N 1 0 392.301 2.958 20 0 GFADRO C[C@@]1(CNC(=O)C(=O)Nc2cc(Cl)ccc2Br)CCC[NH2+]C1 ZINC000415578705 563785045 /nfs/dbraw/zinc/78/50/45/563785045.db2.gz IXGYYZOHDADIRX-OAHLLOKOSA-N 1 0 388.693 2.547 20 0 GFADRO Cc1cc(Cl)cc(NC(=O)C(=O)N2CC[C@H]([C@@H](C)[NH3+])C2)c1Br ZINC000415581847 563785834 /nfs/dbraw/zinc/78/58/34/563785834.db2.gz SXZHJCRLBDAYJO-ZJUUUORDSA-N 1 0 388.693 2.545 20 0 GFADRO COc1ccc(NC(=O)N[C@@H](C[NH3+])C(C)(C)C)c(I)c1 ZINC000415599835 563786842 /nfs/dbraw/zinc/78/68/42/563786842.db2.gz RVCHOCLDKOHLMW-LBPRGKRZSA-N 1 0 391.253 2.795 20 0 GFADRO Cc1ccc(Cl)c(NC(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)c1C ZINC000415601754 563787056 /nfs/dbraw/zinc/78/70/56/563787056.db2.gz XAUMPANIJKEIPQ-ZDUSSCGKSA-N 1 0 378.826 2.914 20 0 GFADRO CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)NC[C@@H](C)C[NH+](C)C ZINC000292464656 563787894 /nfs/dbraw/zinc/78/78/94/563787894.db2.gz UOOKWTDBIQSDCR-CJNGLKHVSA-N 1 0 385.961 2.505 20 0 GFADRO COC(=O)c1cc(F)c(Br)cc1NC(=O)N1C[C@H](C)[NH2+]C[C@@H]1C ZINC000415631673 563788753 /nfs/dbraw/zinc/78/87/53/563788753.db2.gz NHAHLAQWJDXWJG-IUCAKERBSA-N 1 0 388.237 2.589 20 0 GFADRO C[C@H]([NH3+])[C@H](C)NC(=O)Nc1cc(Br)cc(C(=O)N2CCCC2)c1 ZINC000415632821 563789253 /nfs/dbraw/zinc/78/92/53/563789253.db2.gz GVSJSQYKUITIIO-QWRGUYRKSA-N 1 0 383.290 2.542 20 0 GFADRO C[C@@H]([NH3+])[C@@H](C)NC(=O)Nc1cc(Br)cc(C(=O)N2CCCC2)c1 ZINC000415632819 563789404 /nfs/dbraw/zinc/78/94/04/563789404.db2.gz GVSJSQYKUITIIO-GHMZBOCLSA-N 1 0 383.290 2.542 20 0 GFADRO [NH3+]CC[C@H]1CCCN(Cc2nc(Cc3cccc(Br)c3)no2)C1 ZINC000443058090 563789600 /nfs/dbraw/zinc/78/96/00/563789600.db2.gz JDPCEQLZFDNYMP-CYBMUJFWSA-N 1 0 379.302 2.984 20 0 GFADRO C[C@H]1CCCN(C(=O)Nc2ccnn2-c2ccc(Br)cn2)[C@@H]1C[NH3+] ZINC000415639750 563790030 /nfs/dbraw/zinc/79/00/30/563790030.db2.gz QGSIDBICLSCUNA-WCQYABFASA-N 1 0 393.289 2.621 20 0 GFADRO CC(C)(C)[C@@H](C[NH3+])NC(=O)Nc1ccc(-c2ccc(Br)s2)nn1 ZINC000415641148 563790110 /nfs/dbraw/zinc/79/01/10/563790110.db2.gz YBFUTUQDVHYQQF-LLVKDONJSA-N 1 0 398.330 3.463 20 0 GFADRO CC(C)(C)[C@H]1C[C@@H]([NH2+]CCNS(=O)(=O)c2ccc(F)cc2F)CS1 ZINC000443068762 563790073 /nfs/dbraw/zinc/79/00/73/563790073.db2.gz LLCPRKHGKDSYED-IUODEOHRSA-N 1 0 378.510 2.753 20 0 GFADRO CCCOc1c(Br)cc(C[N@@H+]2CC[C@@H]3C(=O)NC[C@@H]3C2)cc1OC ZINC000365661338 563790452 /nfs/dbraw/zinc/79/04/52/563790452.db2.gz QNDADCYPWGNVPR-KGLIPLIRSA-N 1 0 397.313 2.814 20 0 GFADRO Cc1cc(NC(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)cc(C)c1Cl ZINC000415662069 563790536 /nfs/dbraw/zinc/79/05/36/563790536.db2.gz VWMDNYVTPZSGCJ-CYBMUJFWSA-N 1 0 378.826 2.914 20 0 GFADRO CCCOc1c(Br)cc(C[N@@H+]2CC[C@H]3C(=O)NC[C@@H]3C2)cc1OC ZINC000365661340 563790544 /nfs/dbraw/zinc/79/05/44/563790544.db2.gz QNDADCYPWGNVPR-ZIAGYGMSSA-N 1 0 397.313 2.814 20 0 GFADRO C[C@@]1(C[NH3+])CCN(C(=O)C(=O)Nc2cccnc2-c2ccc(Cl)s2)C1 ZINC000415690193 563791453 /nfs/dbraw/zinc/79/14/53/563791453.db2.gz LRLXGSWORNBEGK-KRWDZBQOSA-N 1 0 378.885 2.599 20 0 GFADRO C[NH+]1CCC(C(=O)N2CCC[C@H]2C(=O)Nc2ccc(Br)cc2)CC1 ZINC000365719895 563791533 /nfs/dbraw/zinc/79/15/33/563791533.db2.gz SFDONZIWLLRYCZ-INIZCTEOSA-N 1 0 394.313 2.720 20 0 GFADRO COC(=O)c1cc(NC(=O)N2C[C@H](C)[NH2+]C[C@@H]2C)c(C)cc1Br ZINC000415713838 563793140 /nfs/dbraw/zinc/79/31/40/563793140.db2.gz XIZVIFKJSAAJBM-QWRGUYRKSA-N 1 0 384.274 2.758 20 0 GFADRO CC(C)[C@](C)(C[NH3+])NC(=O)Nc1ccn(-c2ccc(Br)cc2)n1 ZINC000415756963 563794401 /nfs/dbraw/zinc/79/44/01/563794401.db2.gz MMBBIKDFQJXVHU-INIZCTEOSA-N 1 0 380.290 3.130 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H](CNC(=O)Nc2ccn(-c3ccc(Br)cc3)n2)C1 ZINC000415763967 563795207 /nfs/dbraw/zinc/79/52/07/563795207.db2.gz YUDSMFUWXPSOCE-TZMCWYRMSA-N 1 0 392.301 3.274 20 0 GFADRO C[NH2+][C@@H]1CCCN(C(=O)Nc2ccc(I)cc2OC)C1 ZINC000415771523 563795591 /nfs/dbraw/zinc/79/55/91/563795591.db2.gz HVCUGOYQVLPRHC-LLVKDONJSA-N 1 0 389.237 2.516 20 0 GFADRO CCOc1c(Cl)cc(NC(=O)C(=O)NC(C)(C)CCC[NH3+])cc1Cl ZINC000415768144 563795610 /nfs/dbraw/zinc/79/56/10/563795610.db2.gz YPXQIOYWEPJRKP-UHFFFAOYSA-N 1 0 376.284 2.964 20 0 GFADRO CC(C)c1cc(Br)ccc1NC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000415766742 563795622 /nfs/dbraw/zinc/79/56/22/563795622.db2.gz SRVCGFQYZMFTSE-CHWSQXEVSA-N 1 0 394.313 2.579 20 0 GFADRO COc1cc(I)ccc1NC(=O)N[C@@H](C)CCC[NH3+] ZINC000415775282 563796245 /nfs/dbraw/zinc/79/62/45/563796245.db2.gz SOGHTHZOATUYIC-VIFPVBQESA-N 1 0 377.226 2.549 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H](CNC(=O)C(=O)Nc2ccc(Br)c(Cl)c2)C1 ZINC000415798040 563796948 /nfs/dbraw/zinc/79/69/48/563796948.db2.gz AXVIYEUHCOUGCV-NXEZZACHSA-N 1 0 388.693 2.675 20 0 GFADRO CCOc1c(Cl)cc(NC(=O)C(=O)NCCC[C@H]2CCC[NH2+]2)cc1Cl ZINC000415804044 563797016 /nfs/dbraw/zinc/79/70/16/563797016.db2.gz KYRMSJGMLFMEIJ-LLVKDONJSA-N 1 0 388.295 2.979 20 0 GFADRO Cn1cc(Br)c(C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)n1 ZINC000292950509 563797167 /nfs/dbraw/zinc/79/71/67/563797167.db2.gz FVWPHFZITIOGAA-LBPRGKRZSA-N 1 0 383.315 2.811 20 0 GFADRO Cc1ccc(NC(=O)C(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1Br ZINC000415825121 563798463 /nfs/dbraw/zinc/79/84/63/563798463.db2.gz XREPDLRKAKVXBS-KGLIPLIRSA-N 1 0 394.313 2.544 20 0 GFADRO Cc1nc2cc(Cl)c(NC(=O)C(=O)N[C@H](C[NH3+])C3CCCC3)cc2s1 ZINC000415841992 563798821 /nfs/dbraw/zinc/79/88/21/563798821.db2.gz ORPZDGULRMUXFQ-CQSZACIVSA-N 1 0 380.901 2.830 20 0 GFADRO [NH3+]CC[C@H](NC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1Cl)C(F)(F)F ZINC000415842520 563798847 /nfs/dbraw/zinc/79/88/47/563798847.db2.gz RSBUJOXARBXQNQ-VIFPVBQESA-N 1 0 391.699 2.693 20 0 GFADRO Cc1cc(Br)cc(Cl)c1NC(=O)C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000415833498 563798944 /nfs/dbraw/zinc/79/89/44/563798944.db2.gz KCRQDXDKUULZJQ-MWLCHTKSSA-N 1 0 388.693 2.593 20 0 GFADRO [NH3+]C[C@H]1CC[C@@H](NC(=O)C(=O)Nc2cccc(Cl)c2SCC(F)F)C1 ZINC000415841973 563798948 /nfs/dbraw/zinc/79/89/48/563798948.db2.gz RDKZKLQIZCZZLX-VHSXEESVSA-N 1 0 391.871 2.879 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)C(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000415855706 563799644 /nfs/dbraw/zinc/79/96/44/563799644.db2.gz PDHQIJYNFAGZLY-UONOGXRCSA-N 1 0 394.313 2.544 20 0 GFADRO Cc1cc(Cl)cc(NC(=O)C(=O)N[C@@H]2CCCC[NH2+]C2)c1Br ZINC000415867670 563799654 /nfs/dbraw/zinc/79/96/54/563799654.db2.gz LCDKJGCDAGUGRZ-LLVKDONJSA-N 1 0 388.693 2.608 20 0 GFADRO Cc1ccc(-c2csc(NC(=O)C(=O)N[C@@H](CC[NH3+])C(F)(F)F)n2)s1 ZINC000415849683 563799837 /nfs/dbraw/zinc/79/98/37/563799837.db2.gz ZAONDVUFZKEFHC-JTQLQIEISA-N 1 0 392.428 2.514 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1Br ZINC000415882900 563800165 /nfs/dbraw/zinc/80/01/65/563800165.db2.gz XNIGCZGIMBQKBX-HZSPNIEDSA-N 1 0 394.313 2.509 20 0 GFADRO C[C@@H](O)[C@H]1C[C@H](C)CC[N@@H+]1CC(=O)N(C)Cc1ccccc1Br ZINC000443340645 563801659 /nfs/dbraw/zinc/80/16/59/563801659.db2.gz AZDRFFKQYHBUAB-CKEIUWERSA-N 1 0 383.330 2.889 20 0 GFADRO [NH3+]CC[C@H](NC(=O)N[C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)C(F)(F)F ZINC000416034779 563803150 /nfs/dbraw/zinc/80/31/50/563803150.db2.gz UIYPOXXSWJJCRJ-FRRDWIJNSA-N 1 0 383.773 2.888 20 0 GFADRO O=C1NC(=O)[C@H]2C[N@H+](CCSc3ccnc4cc(Cl)ccc43)CC[C@@H]12 ZINC000366303667 563804678 /nfs/dbraw/zinc/80/46/78/563804678.db2.gz AEDWSEHVKSMENG-OCCSQVGLSA-N 1 0 375.881 2.575 20 0 GFADRO C[N@@H+]1CC[C@@]2(CCN(C(=O)NCc3c(F)cc(Br)cc3F)C2)C1 ZINC000366307588 563804723 /nfs/dbraw/zinc/80/47/23/563804723.db2.gz UDIIYEVBEKVEIQ-MRXNPFEDSA-N 1 0 388.256 2.965 20 0 GFADRO Cc1nc2ccc(Br)cn2c1C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000366339680 563805623 /nfs/dbraw/zinc/80/56/23/563805623.db2.gz ONMLJHUHNREMTE-ZIAGYGMSSA-N 1 0 377.286 2.762 20 0 GFADRO Cc1cc(Br)cc(C)c1N1CCC[C@H]([N@@H+]2C[C@H]3[C@H](CO)[C@H]3C2)C1=O ZINC000366398016 563807700 /nfs/dbraw/zinc/80/77/00/563807700.db2.gz INDSSVPCFWWJJC-HZMVEIRTSA-N 1 0 393.325 2.731 20 0 GFADRO CCOC(=O)N1CCC([NH2+]CCCS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000293317759 563808075 /nfs/dbraw/zinc/80/80/75/563808075.db2.gz FTUIAPWLSFZYGG-UHFFFAOYSA-N 1 0 388.917 2.714 20 0 GFADRO O=C(Cc1ccccc1I)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000366476798 563810139 /nfs/dbraw/zinc/81/01/39/563810139.db2.gz BVHFEBPBINMZRD-AWEZNQCLSA-N 1 0 384.261 2.530 20 0 GFADRO O=S(=O)(NCCC[NH+]1CCCC1)c1ccc(Br)c(Cl)c1 ZINC000443712167 563810275 /nfs/dbraw/zinc/81/02/75/563810275.db2.gz VSSAOYAAEVXKCJ-UHFFFAOYSA-N 1 0 381.723 2.867 20 0 GFADRO C[C@@H](NC(=O)N1CC[N@@H+](C[C@H](C)O)[C@@H](C)C1)c1ccc(Br)s1 ZINC000443741056 563811224 /nfs/dbraw/zinc/81/12/24/563811224.db2.gz AWFMQJVESSVCFR-SDDRHHMPSA-N 1 0 390.347 2.668 20 0 GFADRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NS(=O)(=O)c1ccc(Br)c(Cl)c1 ZINC000443766276 563811869 /nfs/dbraw/zinc/81/18/69/563811869.db2.gz ULFIXOLATLHSOF-LKFCYVNXSA-N 1 0 393.734 2.864 20 0 GFADRO COc1cc(OC)c(S(=O)(=O)NC[C@@H](C)[N@@H+]2CCCC[C@@H]2C)cc1Cl ZINC000416365883 563818448 /nfs/dbraw/zinc/81/84/48/563818448.db2.gz BLEKFWZXIXZXNQ-QWHCGFSZSA-N 1 0 390.933 2.898 20 0 GFADRO Cc1cc(S(=O)(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)c(F)cc1Br ZINC000416374900 563819022 /nfs/dbraw/zinc/81/90/22/563819022.db2.gz SPGFJTHWBQWPQM-LLVKDONJSA-N 1 0 391.306 2.659 20 0 GFADRO COc1ccc(CC[NH2+][C@@H]2CCC[C@H](S(C)(=O)=O)C2)c(Cl)c1OC ZINC000293606344 563820346 /nfs/dbraw/zinc/82/03/46/563820346.db2.gz JPMSWCUSJVQGTK-KGLIPLIRSA-N 1 0 375.918 2.845 20 0 GFADRO CCCC[N@@H+]1CCCC[C@H]1CNS(=O)(=O)c1c(C(F)F)c(C)nn1C ZINC000416382237 563820561 /nfs/dbraw/zinc/82/05/61/563820561.db2.gz JEBLVQIZPHTZKM-ZDUSSCGKSA-N 1 0 378.489 2.599 20 0 GFADRO C[NH+](C)[C@@]1(CNS(=O)(=O)c2ccc(C(F)(F)F)cc2F)CCSC1 ZINC000444081862 563820846 /nfs/dbraw/zinc/82/08/46/563820846.db2.gz UYVAXFWIPVUPLP-CYBMUJFWSA-N 1 0 386.436 2.560 20 0 GFADRO CCC[C@H](C)C(=O)NCC[NH2+][C@@H](C)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000293704822 563821699 /nfs/dbraw/zinc/82/16/99/563821699.db2.gz MIPBHCYIOIRPCB-STQMWFEESA-N 1 0 376.469 2.886 20 0 GFADRO CC[C@@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1cccc(Cl)c1C(=O)OC ZINC000416391610 563822441 /nfs/dbraw/zinc/82/24/41/563822441.db2.gz QUKBNVJCABSNDL-CYBMUJFWSA-N 1 0 388.917 2.669 20 0 GFADRO O=C(Nc1ccc(Br)cc1)C1CCN(CC2N=NC(=O)S2)CC1 ZINC000366948607 563825931 /nfs/dbraw/zinc/82/59/31/563825931.db2.gz YGAWRNDULNQECC-UHFFFAOYSA-N 1 0 397.298 2.857 20 0 GFADRO Cc1c(C(=O)NCC[C@H]2CCC[NH2+]2)cnn1-c1ccc(Br)cc1 ZINC000444272861 563826253 /nfs/dbraw/zinc/82/62/53/563826253.db2.gz YSCGACWDLQTZGI-CQSZACIVSA-N 1 0 377.286 2.815 20 0 GFADRO COC[C@H]([NH2+]C[C@](C)(O)c1ccc(Br)cc1F)[C@@H]1CCCO1 ZINC000294013021 563829917 /nfs/dbraw/zinc/82/99/17/563829917.db2.gz GVADJMDZWOLTIY-JYJNAYRXSA-N 1 0 376.266 2.579 20 0 GFADRO C[C@H]1CN(C(=O)COc2c(Cl)cccc2Cl)CC[N@@H+]1CC(C)(C)O ZINC000444555209 563833341 /nfs/dbraw/zinc/83/33/41/563833341.db2.gz SZPMFDKWVJPUIL-LBPRGKRZSA-N 1 0 375.296 2.676 20 0 GFADRO CCOC(=O)CCCNC(=O)C[NH2+][C@@H](C)c1ccc(Br)s1 ZINC000444765374 563836506 /nfs/dbraw/zinc/83/65/06/563836506.db2.gz ZINDCJPNXVJUGV-JTQLQIEISA-N 1 0 377.304 2.621 20 0 GFADRO COC(=O)[C@@H](c1ccc(Cl)cc1Cl)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000444757233 563836526 /nfs/dbraw/zinc/83/65/26/563836526.db2.gz DODPNHHODFPQTR-MLGOLLRUSA-N 1 0 389.323 2.985 20 0 GFADRO C[C@@H]1CN(Cc2nc3ccc(Br)cc3n2C)CC[N@@H+]1CC(C)(C)O ZINC000444754010 563836853 /nfs/dbraw/zinc/83/68/53/563836853.db2.gz AWHJWOMCWFMPAE-CYBMUJFWSA-N 1 0 395.345 2.613 20 0 GFADRO CCN1CC[C@@H]([NH2+]CC(=O)Nc2nncs2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000367252818 563837899 /nfs/dbraw/zinc/83/78/99/563837899.db2.gz ONKBIFJLKLTXEY-UKRRQHHQSA-N 1 0 383.880 2.694 20 0 GFADRO C[N@H+](CCCCNS(=O)(=O)c1ccc(OCC(F)(F)F)cc1)C1CC1 ZINC000416499567 563839107 /nfs/dbraw/zinc/83/91/07/563839107.db2.gz BZNWZSAWMYKKMP-UHFFFAOYSA-N 1 0 380.432 2.780 20 0 GFADRO CC[NH+](CC)[C@@H](CNC(=O)c1nn(C)cc1Br)c1ccccc1 ZINC000294358369 563839707 /nfs/dbraw/zinc/83/97/07/563839707.db2.gz VEEOBDWWHBRUQG-HNNXBMFYSA-N 1 0 379.302 2.996 20 0 GFADRO C[C@H]1[C@@H](NC(=O)Nc2cc(Br)cnc2-n2cccn2)CCC[N@@H+]1C ZINC000444926387 563839792 /nfs/dbraw/zinc/83/97/92/563839792.db2.gz RIXQRMNMJVPAHY-AAEUAGOBSA-N 1 0 393.289 2.634 20 0 GFADRO C[N@H+](CCCCNS(=O)(=O)Cc1ccc(Br)c(F)c1)C1CC1 ZINC000416505999 563840165 /nfs/dbraw/zinc/84/01/65/563840165.db2.gz GVJKGTQIMXBDHQ-UHFFFAOYSA-N 1 0 393.322 2.882 20 0 GFADRO COc1cc(C(F)(F)F)cc(S(=O)(=O)NCCCC[N@H+](C)C2CC2)c1 ZINC000416508421 563840518 /nfs/dbraw/zinc/84/05/18/563840518.db2.gz ROJZQTBPZKOKNH-UHFFFAOYSA-N 1 0 380.432 2.867 20 0 GFADRO Cc1cc(Br)c(NC(=O)NC[C@]2(O)CC[N@@H+](C)C2)cc1Cl ZINC000444934782 563840568 /nfs/dbraw/zinc/84/05/68/563840568.db2.gz YEOWOLHAZMACAU-CQSZACIVSA-N 1 0 376.682 2.599 20 0 GFADRO O=C(Nc1cnc2c(c1)C[NH2+]CC2)c1cccc(I)c1 ZINC000367372523 563842153 /nfs/dbraw/zinc/84/21/53/563842153.db2.gz SSMSUIUCKNBEIK-UHFFFAOYSA-N 1 0 379.201 2.584 20 0 GFADRO COCc1ncsc1C(=O)N[C@H]1CC[N@H+](Cc2cnc(C)s2)C[C@@H]1C ZINC000367359942 563842343 /nfs/dbraw/zinc/84/23/43/563842343.db2.gz ABRQDAIHRCIBFI-FZMZJTMJSA-N 1 0 380.539 2.695 20 0 GFADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000294541384 563845601 /nfs/dbraw/zinc/84/56/01/563845601.db2.gz IBOOUVBZDRQXJT-LBPRGKRZSA-N 1 0 378.687 2.716 20 0 GFADRO CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2COc3cc(F)c(Br)cc32)C1 ZINC000294580759 563847402 /nfs/dbraw/zinc/84/74/02/563847402.db2.gz GXBQQTNEIHKJAH-IMSIIYSGSA-N 1 0 392.290 2.967 20 0 GFADRO COc1ccc(OC)c(S(=O)(=O)N(CC[NH+](C)C)Cc2ccsc2)c1 ZINC000416555808 563847559 /nfs/dbraw/zinc/84/75/59/563847559.db2.gz FIDRRTMDFMBZAO-UHFFFAOYSA-N 1 0 384.523 2.518 20 0 GFADRO COc1cc(Br)c(C(=O)N2CC[NH+](CC3CC3)CC2)cc1OC ZINC000294585714 563848064 /nfs/dbraw/zinc/84/80/64/563848064.db2.gz VLKIZDJUTBIBBD-UHFFFAOYSA-N 1 0 383.286 2.634 20 0 GFADRO CS(=O)(=O)N1CCC[C@@H]1C[NH2+][C@@H]1CCc2sc(Br)cc21 ZINC000294590733 563848122 /nfs/dbraw/zinc/84/81/22/563848122.db2.gz CTQRKXXHUUUBGE-MWLCHTKSSA-N 1 0 379.345 2.512 20 0 GFADRO COC(=O)c1csc([C@@H](C)[NH2+]C2CCC(N3CCCS3(=O)=O)CC2)c1 ZINC000367555305 563848369 /nfs/dbraw/zinc/84/83/69/563848369.db2.gz VZHAYDHJAGHILX-LRVUVFPRSA-N 1 0 386.539 2.532 20 0 GFADRO CCOc1ccc(S(=O)(=O)NCC2([NH+](C)C)CCC2)cc1Br ZINC000445730339 563853294 /nfs/dbraw/zinc/85/32/94/563853294.db2.gz CJQFNRKAKXPSFZ-UHFFFAOYSA-N 1 0 391.331 2.610 20 0 GFADRO O=C(NC1CC1)N[C@H]1CC[N@@H+](CCOc2cc(F)cc(Br)c2)C1 ZINC000445794097 563854352 /nfs/dbraw/zinc/85/43/52/563854352.db2.gz MWGYSSAGIVZUAZ-AWEZNQCLSA-N 1 0 386.265 2.503 20 0 GFADRO COCC[N@@H+]1CC[C@@H](NCc2ccc(Cl)cc2I)C1 ZINC000446849754 563869309 /nfs/dbraw/zinc/86/93/09/563869309.db2.gz QIOPEURMAMSWMQ-CYBMUJFWSA-N 1 0 394.684 2.755 20 0 GFADRO C[NH+](C)C1(CNC(=O)C(=O)Nc2ccc(Br)cc2Cl)CCC1 ZINC000446166293 563859531 /nfs/dbraw/zinc/85/95/31/563859531.db2.gz ATNHTXDUIHIKNZ-UHFFFAOYSA-N 1 0 388.693 2.642 20 0 GFADRO COC(=O)[C@H]1CN(C(=O)Nc2c(C)cc(Br)cc2C)CC[N@H+](C)C1 ZINC000416773425 563861400 /nfs/dbraw/zinc/86/14/00/563861400.db2.gz SGNWHTPKTSDAEV-CYBMUJFWSA-N 1 0 398.301 2.634 20 0 GFADRO [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)NCc1ccc(Cl)cc1Cl ZINC000416792227 563861431 /nfs/dbraw/zinc/86/14/31/563861431.db2.gz BSNOKKJZHJBCDD-AWEZNQCLSA-N 1 0 387.311 2.523 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000416835422 563861660 /nfs/dbraw/zinc/86/16/60/563861660.db2.gz TXVBDKKPWLOTKZ-CQSZACIVSA-N 1 0 397.317 2.527 20 0 GFADRO O=C(Cc1ccccc1I)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000368024174 563862093 /nfs/dbraw/zinc/86/20/93/563862093.db2.gz VLWJHMGWSOMKIY-ZBFHGGJFSA-N 1 0 398.288 2.824 20 0 GFADRO Brc1c(CNC[C@H]2CCC[C@@H]2[NH+]2CCOCC2)nc2ccccn21 ZINC000368025593 563862146 /nfs/dbraw/zinc/86/21/46/563862146.db2.gz XJBLUGMMMBBQNP-ZBFHGGJFSA-N 1 0 393.329 2.687 20 0 GFADRO O=C(Cc1ccccc1I)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000368034389 563862503 /nfs/dbraw/zinc/86/25/03/563862503.db2.gz FDFADPPOWYWHIL-INIZCTEOSA-N 1 0 398.288 2.824 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H](NC(=O)[C@@H](c2ccc(Cl)cc2Cl)N2CCOCC2)C1 ZINC000446403606 563863977 /nfs/dbraw/zinc/86/39/77/563863977.db2.gz XSKWRRXLNPABEY-CKEIUWERSA-N 1 0 386.323 2.753 20 0 GFADRO O=C(c1ccc(Cl)c(I)c1)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000368114979 563864511 /nfs/dbraw/zinc/86/45/11/563864511.db2.gz LFCYHLVQKTZEJW-WDEREUQCSA-N 1 0 390.652 2.626 20 0 GFADRO O=C(N1CC[C@H]2[NH2+]CC[C@H]2C1)C1(c2ccc(Br)cc2)CCOCC1 ZINC000368168237 563865437 /nfs/dbraw/zinc/86/54/37/563865437.db2.gz SFFDHGWKUWEGKL-WMLDXEAASA-N 1 0 393.325 2.708 20 0 GFADRO COCCn1cc2c(n1)[C@H]([NH2+][C@H](C)Cn1cc(Br)cn1)CCC2 ZINC000368187202 563866104 /nfs/dbraw/zinc/86/61/04/563866104.db2.gz DLAWRZIZTMCVTI-IUODEOHRSA-N 1 0 382.306 2.544 20 0 GFADRO CSc1cc(NCC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)ccc1Cl ZINC000417070330 563867132 /nfs/dbraw/zinc/86/71/32/563867132.db2.gz HEJOQAFQACBWOQ-OAHLLOKOSA-N 1 0 385.961 2.947 20 0 GFADRO C[C@H](Cc1ccc(Br)cc1)NC(=O)N1CCC(OCCC[NH3+])CC1 ZINC000417099202 563868175 /nfs/dbraw/zinc/86/81/75/563868175.db2.gz GXKMAHDIBHMZQD-CQSZACIVSA-N 1 0 398.345 2.920 20 0 GFADRO COc1ccc(Br)c(CNC(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000417135304 563868492 /nfs/dbraw/zinc/86/84/92/563868492.db2.gz GOTDIKWOUJBOOP-HZUKXOBISA-N 1 0 382.302 2.727 20 0 GFADRO CC(C)(CNC(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1)c1ccc(Br)cc1 ZINC000417124472 563868616 /nfs/dbraw/zinc/86/86/16/563868616.db2.gz MVUGIBVKECBLSN-UONOGXRCSA-N 1 0 380.330 2.978 20 0 GFADRO C[NH2+][C@H]1CCCN(C(=O)N[C@@H](C)c2cc3c(cc2Br)OCCO3)C1 ZINC000417171359 563869936 /nfs/dbraw/zinc/86/99/36/563869936.db2.gz DUHVVRYZOLCLLW-RYUDHWBXSA-N 1 0 398.301 2.675 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)NCCc3ccc(F)c(Br)c3)C[C@@H]21 ZINC000417172204 563870132 /nfs/dbraw/zinc/87/01/32/563870132.db2.gz FRHDZQCUJAGJPX-DVOMOZLQSA-N 1 0 384.293 2.900 20 0 GFADRO O=C(NCC1(c2cccc(Br)c2)CCOCC1)N[C@@H]1CCC[NH2+]C1 ZINC000417178801 563870784 /nfs/dbraw/zinc/87/07/84/563870784.db2.gz NCMVTCCJLKSGSJ-MRXNPFEDSA-N 1 0 396.329 2.549 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)[C@@H]1CCCN(c2ccc(Br)cn2)C1 ZINC000368451532 563871265 /nfs/dbraw/zinc/87/12/65/563871265.db2.gz SJHYRUQJXTVEGW-LZWOXQAQSA-N 1 0 395.345 2.789 20 0 GFADRO C[C@H](NC(=O)NC1(C)CC[NH2+]CC1)c1cc2c(cc1Br)OCCO2 ZINC000417182970 563871488 /nfs/dbraw/zinc/87/14/88/563871488.db2.gz RCHZMAHAFLFSKL-NSHDSACASA-N 1 0 398.301 2.723 20 0 GFADRO [NH3+][C@H]1CCC[C@@H](CNC(=O)NCCC(=O)Nc2ccc(Br)cc2)C1 ZINC000417224042 563874377 /nfs/dbraw/zinc/87/43/77/563874377.db2.gz LXWMFOVLHUJJGP-OCCSQVGLSA-N 1 0 397.317 2.594 20 0 GFADRO CCN(CC)C(=O)C[C@@H](C)[NH2+][C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000447099861 563874858 /nfs/dbraw/zinc/87/48/58/563874858.db2.gz SNUVVVUDAQMOSF-CJNGLKHVSA-N 1 0 396.329 2.791 20 0 GFADRO C[C@@H](CCn1cccn1)[NH2+][C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000447096990 563874941 /nfs/dbraw/zinc/87/49/41/563874941.db2.gz DIPOREDKRWDQMN-BBRMVZONSA-N 1 0 377.286 2.819 20 0 GFADRO CC(C)[C@H]([NH3+])CNC(=O)NC[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000417260086 563875356 /nfs/dbraw/zinc/87/53/56/563875356.db2.gz IIYDIXTVTNUNDC-XJKSGUPXSA-N 1 0 383.334 2.558 20 0 GFADRO CSc1cc(NC(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)ccc1Cl ZINC000417284529 563876746 /nfs/dbraw/zinc/87/67/46/563876746.db2.gz AEPCPDMBLZOGPX-GFCCVEGCSA-N 1 0 384.933 2.771 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)NCCCOc2ccc(Cl)cc2Cl)CCCO1 ZINC000417338108 563878081 /nfs/dbraw/zinc/87/80/81/563878081.db2.gz YBMUTZIDNIVXLI-ZDUSSCGKSA-N 1 0 376.284 2.522 20 0 GFADRO O=C(NCc1ccc(Br)cc1Cl)N[C@H]1C[NH2+]CCC1(F)F ZINC000417340476 563878139 /nfs/dbraw/zinc/87/81/39/563878139.db2.gz MKMOILUWORTJIQ-NSHDSACASA-N 1 0 382.636 2.899 20 0 GFADRO [NH3+][C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)/C=C/c1cc(Br)c2c(c1)OCCO2 ZINC000368814887 563879405 /nfs/dbraw/zinc/87/94/05/563879405.db2.gz XGJYIOFUSPUQNE-QWYVUCEOSA-N 1 0 393.281 2.714 20 0 GFADRO CS(=O)(=O)c1ccc(C(=O)NC2CC[NH+](Cc3cccs3)CC2)cc1 ZINC000368801972 563879554 /nfs/dbraw/zinc/87/95/54/563879554.db2.gz ICRMNJCWCVWYPM-UHFFFAOYSA-N 1 0 378.519 2.546 20 0 GFADRO CN(CC(C)(C)C[NH3+])C(=O)NCCc1ccc(I)s1 ZINC000417442332 563880570 /nfs/dbraw/zinc/88/05/70/563880570.db2.gz UDWBTPKJJOXTNH-UHFFFAOYSA-N 1 0 395.310 2.522 20 0 GFADRO C[C@H](CNC(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1)c1c(Cl)cccc1Cl ZINC000417490974 563880956 /nfs/dbraw/zinc/88/09/56/563880956.db2.gz SGKSQIILVVPHFU-ZIAGYGMSSA-N 1 0 385.339 2.786 20 0 GFADRO COCC[C@]1([NH2+]CC(=O)Nc2ccc(OC(F)F)c(Cl)c2)CCOC1 ZINC000447388952 563880977 /nfs/dbraw/zinc/88/09/77/563880977.db2.gz XRTDLVBANKVXBR-INIZCTEOSA-N 1 0 378.803 2.665 20 0 GFADRO CO[C@@H](C[NH3+])CC(=O)Nc1ccc(=O)n(Cc2ccc(Cl)c(Cl)c2)c1 ZINC000447441521 563881631 /nfs/dbraw/zinc/88/16/31/563881631.db2.gz QDOLUAGXDGCNJW-CYBMUJFWSA-N 1 0 384.263 2.506 20 0 GFADRO [NH3+]CC[C@H](NC(=O)NCC1(c2ccccc2Cl)CCOCC1)C(F)F ZINC000417532130 563881965 /nfs/dbraw/zinc/88/19/65/563881965.db2.gz SFRYCAFWZCJQQT-AWEZNQCLSA-N 1 0 375.847 2.670 20 0 GFADRO Cc1cc(NC(=O)N[C@@H](C)CN2CC[NH+](C)CC2)cc(F)c1Br ZINC000417548376 563882265 /nfs/dbraw/zinc/88/22/65/563882265.db2.gz IDSUPBYHXURMOY-LBPRGKRZSA-N 1 0 387.297 2.654 20 0 GFADRO Cc1cc(C(=O)N[C@H]2CC[NH2+][C@@H](C)C2)nn1-c1ccc(Br)cc1 ZINC000447512314 563882436 /nfs/dbraw/zinc/88/24/36/563882436.db2.gz PDIOSEWPDCPMPW-FZMZJTMJSA-N 1 0 377.286 2.814 20 0 GFADRO C[C@@H](CO)[N@@H+]1CCCN(C(=O)c2cc(Br)ccc2Cl)CC1 ZINC000368971413 563882628 /nfs/dbraw/zinc/88/26/28/563882628.db2.gz BMJZXNQSOPTKTK-NSHDSACASA-N 1 0 375.694 2.631 20 0 GFADRO CC[C@H](Cc1ccccc1Br)C(=O)N1CCC[N@@H+]([C@H](C)CO)CC1 ZINC000368971470 563882992 /nfs/dbraw/zinc/88/29/92/563882992.db2.gz BRXYOPMFGGHJPK-HZPDHXFCSA-N 1 0 397.357 2.933 20 0 GFADRO CC(C)c1n[nH]c(C(=O)N2CCC([N@@H+]3CCO[C@@H](C)C3)CC2)c1Br ZINC000369055148 563885725 /nfs/dbraw/zinc/88/57/25/563885725.db2.gz NTWONOSMUZDUCH-LBPRGKRZSA-N 1 0 399.333 2.621 20 0 GFADRO O=C(c1cnn(-c2cccc(Br)c2)c1)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000369061930 563885772 /nfs/dbraw/zinc/88/57/72/563885772.db2.gz GDJSNEGFNJONNQ-QGZVFWFLSA-N 1 0 389.297 2.945 20 0 GFADRO [NH3+]C[C@@H](NC(=O)N[C@@H]1CCN(c2ccccc2Br)C1)C1CCCC1 ZINC000417602471 563886222 /nfs/dbraw/zinc/88/62/22/563886222.db2.gz OGZGTLSKQQMLFU-GDBMZVCRSA-N 1 0 395.345 2.845 20 0 GFADRO C[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2CCCN(c3ccc(Br)cn3)C2)C1 ZINC000369085570 563886611 /nfs/dbraw/zinc/88/66/11/563886611.db2.gz UTSNWISJRYHFMB-ZBFHGGJFSA-N 1 0 395.345 2.613 20 0 GFADRO CC(C)[C@@H]1C(=O)NCCN1C(=O)C1CC[NH+](Cc2ccc(Cl)s2)CC1 ZINC000369127878 563887278 /nfs/dbraw/zinc/88/72/78/563887278.db2.gz ZGDZMLYLDZDJRY-MRXNPFEDSA-N 1 0 383.945 2.597 20 0 GFADRO CCCC[C@@H](C[NH3+])NC(=O)NCCOc1ncc(C(F)(F)F)cc1Cl ZINC000417735699 563888040 /nfs/dbraw/zinc/88/80/40/563888040.db2.gz LUBDANLIPDYVNX-NSHDSACASA-N 1 0 382.814 2.949 20 0 GFADRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NS(=O)(=O)c1ccc(OC(F)F)c(F)c1 ZINC000447869919 563888935 /nfs/dbraw/zinc/88/89/35/563888935.db2.gz WAMGVIQIJRHBLI-NEPJUHHUSA-N 1 0 380.432 2.826 20 0 GFADRO CC[C@@H](NC(=O)NC[C@@]1(COC)CCC[NH2+]1)c1nc(C(F)(F)F)cs1 ZINC000417782607 563889137 /nfs/dbraw/zinc/88/91/37/563889137.db2.gz LPZGWKDELFJZEC-QMTHXVAHSA-N 1 0 380.436 2.681 20 0 GFADRO C[C@H](CNC(=O)NCC[C@@H]1CCC[NH2+]C1)Oc1cccc(Br)c1 ZINC000417804068 563889807 /nfs/dbraw/zinc/88/98/07/563889807.db2.gz YQPMHIRVNDZIBN-KGLIPLIRSA-N 1 0 384.318 2.905 20 0 GFADRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2S(=O)(=O)c2ccc(C(F)(F)F)c(F)c2)C1 ZINC000447881733 563890151 /nfs/dbraw/zinc/89/01/51/563890151.db2.gz ZSOUIJZWTIXDJC-XHDPSFHLSA-N 1 0 380.407 2.949 20 0 GFADRO COC(=O)c1ccc(Cl)cc1S(=O)(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC000447924673 563890352 /nfs/dbraw/zinc/89/03/52/563890352.db2.gz GZSCBSAFYRZQCG-HNNXBMFYSA-N 1 0 388.917 2.525 20 0 GFADRO COCC[NH+]1CCC(NCc2ccc(F)cc2I)CC1 ZINC000417869247 563890446 /nfs/dbraw/zinc/89/04/46/563890446.db2.gz DRZVMCVLPDZLJZ-UHFFFAOYSA-N 1 0 392.256 2.631 20 0 GFADRO C[NH2+]CCC1CCN(C(=O)NCCOc2ncc(Cl)cc2Cl)CC1 ZINC000417898604 563890918 /nfs/dbraw/zinc/89/09/18/563890918.db2.gz ZENCIEBENNSDIM-UHFFFAOYSA-N 1 0 375.300 2.798 20 0 GFADRO O=C(NCCc1cc(Cl)ccc1Br)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000417907780 563891732 /nfs/dbraw/zinc/89/17/32/563891732.db2.gz FLNCGMVNOOMBPK-QWHCGFSZSA-N 1 0 386.721 2.896 20 0 GFADRO Cc1nn(C)c(CN2CC[NH+](CCc3cccs3)CC2)c1Br ZINC000448213546 563894948 /nfs/dbraw/zinc/89/49/48/563894948.db2.gz MRWIHLQPZUUOHG-UHFFFAOYSA-N 1 0 383.359 2.913 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H](NC(=O)N[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C1 ZINC000418006502 563895053 /nfs/dbraw/zinc/89/50/53/563895053.db2.gz PFNFXTSPMDWMBW-UEKVPHQBSA-N 1 0 385.295 2.668 20 0 GFADRO COCC[N@H+](C)CCNC(=O)NCC(C)(C)c1ccccc1Br ZINC000448205835 563895071 /nfs/dbraw/zinc/89/50/71/563895071.db2.gz RSMRHXVPIMEIGK-UHFFFAOYSA-N 1 0 386.334 2.604 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)NCCc2c[nH]c3ccc(Br)cc23)CC[NH2+]1 ZINC000418004698 563895077 /nfs/dbraw/zinc/89/50/77/563895077.db2.gz OMACCXHJZYXNDT-RISCZKNCSA-N 1 0 379.302 2.913 20 0 GFADRO COc1cc(Br)ccc1CCCNC(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000418010435 563895113 /nfs/dbraw/zinc/89/51/13/563895113.db2.gz VTCKCMBIWBIXKM-GOSISDBHSA-N 1 0 396.329 2.785 20 0 GFADRO COc1ccc(S(=O)(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1Cl ZINC000448316520 563895806 /nfs/dbraw/zinc/89/58/06/563895806.db2.gz WCLJLRIDKYXWFZ-SUMWQHHRSA-N 1 0 384.929 2.986 20 0 GFADRO CCCOC[C@H](Cc1cccc(Br)c1)NC(=O)N[C@@H]1CCC[NH2+]C1 ZINC000418026419 563895988 /nfs/dbraw/zinc/89/59/88/563895988.db2.gz HEBWPJUBMDYUIO-SJORKVTESA-N 1 0 398.345 2.838 20 0 GFADRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)Nc1ccc(Br)cc1 ZINC000448317545 563896136 /nfs/dbraw/zinc/89/61/36/563896136.db2.gz JDCKGNVIPMJCOB-AWEZNQCLSA-N 1 0 382.302 2.624 20 0 GFADRO COC(=O)[C@@](C)(C[NH2+]Cc1c(Br)c(C)nn1C)c1ccccc1 ZINC000448353404 563896376 /nfs/dbraw/zinc/89/63/76/563896376.db2.gz GYWBGCOCJOXVTH-KRWDZBQOSA-N 1 0 380.286 2.712 20 0 GFADRO CCCC[C@@H](C[NH3+])NC(=O)NCc1cn2cc(Br)cc(C)c2n1 ZINC000418035930 563896441 /nfs/dbraw/zinc/89/64/41/563896441.db2.gz YMCPTLLAYOYEDY-ZDUSSCGKSA-N 1 0 382.306 2.722 20 0 GFADRO CCn1c(CNC(=O)N(C)C2CC[NH2+]CC2)nc2cc(Br)ccc21 ZINC000418068355 563897420 /nfs/dbraw/zinc/89/74/20/563897420.db2.gz PYLPNFORDYOZFF-UHFFFAOYSA-N 1 0 394.317 2.712 20 0 GFADRO O=C(N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000418081128 563897695 /nfs/dbraw/zinc/89/76/95/563897695.db2.gz NPRDNGDDGOFEOD-KCQAQPDRSA-N 1 0 383.323 2.823 20 0 GFADRO C[NH2+]C[C@H](C)CNC(=O)N[C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O ZINC000418076170 563897727 /nfs/dbraw/zinc/89/77/27/563897727.db2.gz GDUOXTVWQVYKFV-SMDDNHRTSA-N 1 0 387.311 2.644 20 0 GFADRO Cc1nnc(CC[NH2+]Cc2ccc(F)cc2I)s1 ZINC000418076679 563897793 /nfs/dbraw/zinc/89/77/93/563897793.db2.gz GZZFIAHIDQSUCM-UHFFFAOYSA-N 1 0 377.226 2.923 20 0 GFADRO CCn1c(CNC(=O)N[C@H]2C[NH2+]CC[C@@H]2C)nc2cc(Br)ccc21 ZINC000418072935 563897872 /nfs/dbraw/zinc/89/78/72/563897872.db2.gz YXYACNDOKQHCIK-FZMZJTMJSA-N 1 0 394.317 2.616 20 0 GFADRO [NH3+][C@@H]1CCC[C@H](NC(=O)N[C@H]2CCN(c3cccc(Br)c3)C2)C1 ZINC000418089186 563898610 /nfs/dbraw/zinc/89/86/10/563898610.db2.gz BFFCVVFZCISCLV-ILXRZTDVSA-N 1 0 381.318 2.597 20 0 GFADRO CCS(=O)(=O)c1ccc(CNC(=O)NCC[NH2+]C2CCCCCC2)s1 ZINC000418106206 563898969 /nfs/dbraw/zinc/89/89/69/563898969.db2.gz MWJVSQBOZUWJJX-UHFFFAOYSA-N 1 0 387.571 2.653 20 0 GFADRO C[C@H](CCCC[NH3+])NC(=O)N[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000418106815 563899018 /nfs/dbraw/zinc/89/90/18/563899018.db2.gz YBWKJWOJWWTRBP-HIFRSBDPSA-N 1 0 383.334 2.845 20 0 GFADRO [NH3+]CC[C@H](NC(=O)N[C@@H](c1cncc(Br)c1)C1CC1)C(F)F ZINC000418167979 563900509 /nfs/dbraw/zinc/90/05/09/563900509.db2.gz LPBXPCYDWHDAMC-NWDGAFQWSA-N 1 0 377.233 2.577 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(I)cc1F ZINC000448726488 563900700 /nfs/dbraw/zinc/90/07/00/563900700.db2.gz TZPFZPJOBUVCAD-VXGBXAGGSA-N 1 0 388.224 2.787 20 0 GFADRO C[C@H](NC(=O)N[C@H]1C[NH2+]CCC1(F)F)c1ccc(Br)cc1F ZINC000418182756 563900748 /nfs/dbraw/zinc/90/07/48/563900748.db2.gz KGUNRXYIOKPFAH-UFBFGSQYSA-N 1 0 380.208 2.946 20 0 GFADRO Cc1cc(Br)cc(C)c1N1CCC[C@@H](NC(=O)N(C)CC[NH3+])C1 ZINC000418189330 563900777 /nfs/dbraw/zinc/90/07/77/563900777.db2.gz XNCZUOIPINNKQJ-OAHLLOKOSA-N 1 0 383.334 2.635 20 0 GFADRO CCCN(CC[NH+](C)C)C(=O)c1ccc(I)cc1F ZINC000448912273 563903022 /nfs/dbraw/zinc/90/30/22/563903022.db2.gz PQMZLDYCOGEHBU-UHFFFAOYSA-N 1 0 378.229 2.844 20 0 GFADRO CC[NH+]1CCN([C@H]2CCN(C(=O)Cc3ccc(C)cc3Br)C2)CC1 ZINC000448924865 563903458 /nfs/dbraw/zinc/90/34/58/563903458.db2.gz JRWVZPSANKEVRE-KRWDZBQOSA-N 1 0 394.357 2.538 20 0 GFADRO COCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](Cc2cccc(F)c2Br)C1 ZINC000449015745 563905103 /nfs/dbraw/zinc/90/51/03/563905103.db2.gz MDPZJJBIZFGCMZ-GXTWGEPZSA-N 1 0 387.293 2.951 20 0 GFADRO CCCS(=O)(=O)N1CCC([NH2+][C@H]2CCc3cc(F)c(F)c(F)c32)CC1 ZINC000449079856 563906462 /nfs/dbraw/zinc/90/64/62/563906462.db2.gz QNWMUJMRIQJRBG-AWEZNQCLSA-N 1 0 376.444 2.885 20 0 GFADRO CNC(=O)CN1CCC([NH2+]C2CC(c3ccc(Br)cc3F)C2)CC1 ZINC000449075224 563906498 /nfs/dbraw/zinc/90/64/98/563906498.db2.gz MJHBQRVZJFVXLI-UHFFFAOYSA-N 1 0 398.320 2.634 20 0 GFADRO O=C(c1ccc(C[NH+]2CCSCC2)cc1)N1CCO[C@]2(CCSC2)C1 ZINC000563174637 564178558 /nfs/dbraw/zinc/17/85/58/564178558.db2.gz DWCACKNLFQHBRY-LJQANCHMSA-N 1 0 378.563 2.584 20 0 GFADRO CCN(CCC[NH+](C)C)C(=O)c1ccc(OC)cc1I ZINC000470845295 564179421 /nfs/dbraw/zinc/17/94/21/564179421.db2.gz OTQVYRLEMRUPFY-UHFFFAOYSA-N 1 0 390.265 2.714 20 0 GFADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+]CCCOC(F)F ZINC000449305020 564179657 /nfs/dbraw/zinc/17/96/57/564179657.db2.gz DKVSSUXJBVUVLN-SNVBAGLBSA-N 1 0 395.244 2.681 20 0 GFADRO Fc1cc(Br)cc(CN2CC[C@@H](C[NH+]3CCOCC3)C2)c1F ZINC000563218453 564180143 /nfs/dbraw/zinc/18/01/43/564180143.db2.gz YGUILSAIJFHYBB-LBPRGKRZSA-N 1 0 375.257 2.881 20 0 GFADRO COc1ccc(S(=O)(=O)N2CCC([NH2+]CCCC(C)(F)F)CC2)cc1 ZINC000449348564 564182050 /nfs/dbraw/zinc/18/20/50/564182050.db2.gz CFUXVBKVIFKKLD-UHFFFAOYSA-N 1 0 376.469 2.873 20 0 GFADRO C[N@H+](Cc1cnn(-c2ccc(Br)cc2)c1)[C@H]1CCN2CCO[C@H]1C2 ZINC000449364052 564182165 /nfs/dbraw/zinc/18/21/65/564182165.db2.gz PMFIOGLMUYQWAF-ROUUACIJSA-N 1 0 391.313 2.540 20 0 GFADRO CC[C@@H](C)[C@H](NC(=O)C[NH2+][C@H](C)c1ccc(Br)cc1)C(=O)OC ZINC000538140799 564183699 /nfs/dbraw/zinc/18/36/99/564183699.db2.gz UWJIWAAAQVAPQH-HSMVNMDESA-N 1 0 385.302 2.804 20 0 GFADRO C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+]C[C@@H]1CCCN1CCCO ZINC000449389523 564183904 /nfs/dbraw/zinc/18/39/04/564183904.db2.gz SNKGMORRAHLWLD-YOEHRIQHSA-N 1 0 398.345 2.603 20 0 GFADRO OCCC[N@@H+]1CCC[C@@H](NCc2cn(-c3ccc(Cl)cc3Cl)nn2)C1 ZINC000449398064 564184101 /nfs/dbraw/zinc/18/41/01/564184101.db2.gz SRULGCBYIQAKDA-CQSZACIVSA-N 1 0 384.311 2.511 20 0 GFADRO OCCN1CCCC[C@H]1C[NH2+]Cc1nc(-c2cccc(Br)c2)c[nH]1 ZINC000449395779 564184610 /nfs/dbraw/zinc/18/46/10/564184610.db2.gz QWKKHHPRIKHNIA-INIZCTEOSA-N 1 0 393.329 2.776 20 0 GFADRO C[N@H+](CC[C@@H]1CCNC1=O)Cc1cccc(Br)c1OCC(C)(C)O ZINC000563352295 564187255 /nfs/dbraw/zinc/18/72/55/564187255.db2.gz BPLATHQHRHINPY-ZDUSSCGKSA-N 1 0 399.329 2.557 20 0 GFADRO Cc1cc(C(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)c(Br)s1 ZINC000471165744 564188343 /nfs/dbraw/zinc/18/83/43/564188343.db2.gz QSOFRSVJUMVKSO-GFCCVEGCSA-N 1 0 375.332 2.906 20 0 GFADRO O=C(NCC[NH+]1CCCC1)c1cc(I)ccc1Cl ZINC000471169991 564188477 /nfs/dbraw/zinc/18/84/77/564188477.db2.gz QQEWNPXYRDULPM-UHFFFAOYSA-N 1 0 378.641 2.770 20 0 GFADRO OC[C@H]([C@H]([NH2+]Cc1ncc(I)s1)C1CC1)C1CC1 ZINC000449508165 564189203 /nfs/dbraw/zinc/18/92/03/564189203.db2.gz MWUXQKKJMOLSMH-GXFFZTMASA-N 1 0 378.279 2.634 20 0 GFADRO Cc1c(I)cccc1C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000471224397 564189548 /nfs/dbraw/zinc/18/95/48/564189548.db2.gz OJKXEXNOVFCPAX-LSDHHAIUSA-N 1 0 384.261 2.956 20 0 GFADRO COC1(C[NH2+]C[C@@H](CO)Cc2cc(Br)ccc2F)CCOCC1 ZINC000449599470 564190888 /nfs/dbraw/zinc/19/08/88/564190888.db2.gz LATZAHWXCHLKCL-ZDUSSCGKSA-N 1 0 390.293 2.524 20 0 GFADRO CC[C@@H]([NH2+]Cc1cc(Br)ccc1O[C@@H](C)C(=O)NC)[C@@H](O)CC ZINC000449648182 564192843 /nfs/dbraw/zinc/19/28/43/564192843.db2.gz QHPJYJKAZJAELS-GLQYFDAESA-N 1 0 387.318 2.602 20 0 GFADRO COc1cc(CNc2cc(N(C)C)c(Br)c[nH+]2)cc(OC)c1O ZINC000449644963 564193499 /nfs/dbraw/zinc/19/34/99/564193499.db2.gz KVXKVYFIUJELLQ-UHFFFAOYSA-N 1 0 382.258 3.245 20 0 GFADRO CC[NH+](CC)[C@H](C)CNC(=O)c1ccc(F)c(I)c1 ZINC000471362631 564193897 /nfs/dbraw/zinc/19/38/97/564193897.db2.gz GTOKAKHTFJHXAM-SNVBAGLBSA-N 1 0 378.229 2.890 20 0 GFADRO Cc1c(Br)cccc1C[C@@H](CO)C[NH2+]Cc1cn(C(C)C)nn1 ZINC000449680380 564195967 /nfs/dbraw/zinc/19/59/67/564195967.db2.gz GIHSJWZIBQEIHN-CQSZACIVSA-N 1 0 381.318 2.871 20 0 GFADRO Cc1c(Br)cccc1C[C@@H](CO)C[NH2+][C@@H]1CCC(=O)NC1(C)C ZINC000449679739 564196009 /nfs/dbraw/zinc/19/60/09/564196009.db2.gz FGVHFUPIWRMFRV-CZUORRHYSA-N 1 0 383.330 2.555 20 0 GFADRO CC1(C)C[NH2+]CC[C@H]1NC(=O)c1ccc(S(=O)(=O)c2ccccc2)s1 ZINC000449701912 564197827 /nfs/dbraw/zinc/19/78/27/564197827.db2.gz CRSBHOJXHFVPCN-OAHLLOKOSA-N 1 0 378.519 2.699 20 0 GFADRO CN1CCC[C@H]([NH2+]CC2(c3ccc(Br)cc3)CCOCC2)C1=O ZINC000538706557 564197915 /nfs/dbraw/zinc/19/79/15/564197915.db2.gz MCQURSYBHMHRCZ-INIZCTEOSA-N 1 0 381.314 2.708 20 0 GFADRO C[C@H](CNC(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1)Oc1cccc(Br)c1 ZINC000563581767 564198128 /nfs/dbraw/zinc/19/81/28/564198128.db2.gz YEMOQRLQFQLCEM-OAUYIBNBSA-N 1 0 396.329 2.904 20 0 GFADRO C[NH2+]C[C@@H]1CCCN(C(=O)N[C@H](c2cncc(Br)c2)C2CC2)C1 ZINC000563590559 564198304 /nfs/dbraw/zinc/19/83/04/564198304.db2.gz BMLRBHHTMYYQAT-LRDDRELGSA-N 1 0 381.318 2.936 20 0 GFADRO [NH3+]C[C@H]1CC[C@@H](NC(=O)c2ccc(Cl)c(I)c2)C1 ZINC000449721607 564198714 /nfs/dbraw/zinc/19/87/14/564198714.db2.gz UHDVMXDVMRRWSF-WCBMZHEXSA-N 1 0 378.641 2.802 20 0 GFADRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)C2(c3ccc(Br)cc3)CCOCC2)C1 ZINC000449719483 564198739 /nfs/dbraw/zinc/19/87/39/564198739.db2.gz QVECJPGHSVQUBT-CZUORRHYSA-N 1 0 381.314 2.741 20 0 GFADRO [NH3+]CC[C@@H](NC(=O)c1ccc(S(=O)(=O)c2ccccc2)s1)C(F)(F)F ZINC000449731981 564199873 /nfs/dbraw/zinc/19/98/73/564199873.db2.gz YDSQGOSDTZEIQV-GFCCVEGCSA-N 1 0 392.424 2.590 20 0 GFADRO CC1CC[NH+](CCCNC(=O)[C@H]2Cc3cc(Br)ccc3O2)CC1 ZINC000471624924 564200176 /nfs/dbraw/zinc/20/01/76/564200176.db2.gz FAVHYNCEQDTSPH-QGZVFWFLSA-N 1 0 381.314 2.991 20 0 GFADRO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1C[C@@H](C)c1cccc(Br)c1 ZINC000538761902 564200620 /nfs/dbraw/zinc/20/06/20/564200620.db2.gz KEPRXGMESWCRDS-IUODEOHRSA-N 1 0 375.332 2.566 20 0 GFADRO C[NH+](C)C1(CNC(=O)NCCSCC(F)(F)F)Cc2ccccc2C1 ZINC000538778002 564200632 /nfs/dbraw/zinc/20/06/32/564200632.db2.gz DKFILCPIJRUSKW-UHFFFAOYSA-N 1 0 375.460 2.680 20 0 GFADRO COCC[N@@H+]1CC[C@@H](NC(=O)N(C)[C@@H](C)c2ccccc2Br)C1 ZINC000506318112 564200693 /nfs/dbraw/zinc/20/06/93/564200693.db2.gz PKVRKWZWGPIGFB-UONOGXRCSA-N 1 0 384.318 2.872 20 0 GFADRO C[C@H](CCc1ccc(Br)cc1)NC(=O)NCCOCC[NH+](C)C ZINC000471648046 564201638 /nfs/dbraw/zinc/20/16/38/564201638.db2.gz KKFILYRQHVDJDI-CQSZACIVSA-N 1 0 386.334 2.648 20 0 GFADRO C[C@H](CNc1cc(N2CCOCC2)c(Br)c[nH+]1)CC1CCOCC1 ZINC000449767304 564201936 /nfs/dbraw/zinc/20/19/36/564201936.db2.gz PYUWNBVYGSZTET-AWEZNQCLSA-N 1 0 398.345 3.545 20 0 GFADRO COC(=O)c1cn(CC[NH2+][C@@H]2CCc3c2cc(Cl)cc3Br)nn1 ZINC000563683351 564202433 /nfs/dbraw/zinc/20/24/33/564202433.db2.gz QDLDGAYWTLQVMY-CYBMUJFWSA-N 1 0 399.676 2.758 20 0 GFADRO CSCC[C@@H](CO)[NH2+][C@@H](C)CC(=O)Nc1cccc(Br)c1 ZINC000539057334 564208557 /nfs/dbraw/zinc/20/85/57/564208557.db2.gz YQYYXVKSNTYUMH-FZMZJTMJSA-N 1 0 375.332 2.870 20 0 GFADRO CC(C)[NH+](CCN(C)C(=O)Nc1cc(Br)c(=O)n(C)c1)C(C)C ZINC000506731480 564211030 /nfs/dbraw/zinc/21/10/30/564211030.db2.gz LVGODPNZAOIEOX-UHFFFAOYSA-N 1 0 387.322 2.730 20 0 GFADRO COCCC[N@H+](C)CCNC(=O)c1c(Cl)cc(F)cc1Br ZINC000449994499 564212842 /nfs/dbraw/zinc/21/28/42/564212842.db2.gz HRXCRAWSVIXUSN-UHFFFAOYSA-N 1 0 381.673 2.940 20 0 GFADRO O=C(NCc1nc2c(cccc2Br)[nH]1)C1CC[NH+](C2CC2)CC1 ZINC000563940267 564213621 /nfs/dbraw/zinc/21/36/21/564213621.db2.gz SZYWUOSTKVUQFB-UHFFFAOYSA-N 1 0 377.286 2.816 20 0 GFADRO COCC[N@@H+]1CC[C@@H](NC(=O)N2CCc3cc(Br)cc(C)c3C2)C1 ZINC000539229277 564214093 /nfs/dbraw/zinc/21/40/93/564214093.db2.gz NPWLXPFWADJRBX-MRXNPFEDSA-N 1 0 396.329 2.546 20 0 GFADRO C[C@@H](C[C@@H]1CCCO1)[NH2+]CCS(=O)(=O)c1cccc(Br)c1 ZINC000563952665 564214295 /nfs/dbraw/zinc/21/42/95/564214295.db2.gz PCQJHAZDHHMADT-JSGCOSHPSA-N 1 0 376.316 2.770 20 0 GFADRO [NH3+]Cc1ccc(CNC(=O)NCc2cc(Br)cc3c2OCC3)cc1 ZINC000563956415 564214343 /nfs/dbraw/zinc/21/43/43/564214343.db2.gz PWJQMMYEPSNSES-UHFFFAOYSA-N 1 0 390.281 2.842 20 0 GFADRO C[C@H]([NH2+]CCOc1cccc(S(C)(=O)=O)c1)c1ccc([S@](C)=O)cc1 ZINC000539369014 564217507 /nfs/dbraw/zinc/21/75/07/564217507.db2.gz YFPHBYUSIPYFHV-BSEYFRJRSA-N 1 0 381.519 2.557 20 0 GFADRO CC(C)[C@H]([NH2+]CCOc1c(Cl)cccc1Cl)C(=O)N1CCOCC1 ZINC000539358103 564217671 /nfs/dbraw/zinc/21/76/71/564217671.db2.gz ORNJIXNEXUGHIF-HNNXBMFYSA-N 1 0 375.296 2.845 20 0 GFADRO C[C@H](Cc1ccc(F)cc1Br)[NH2+][C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000564108030 564220397 /nfs/dbraw/zinc/22/03/97/564220397.db2.gz JRPHBNPPOMUNMN-BXUZGUMPSA-N 1 0 393.322 2.533 20 0 GFADRO CS[C@@H]1CN(C[C@@H](O)COc2cc(Cl)ccc2Cl)C[C@H]1[NH+](C)C ZINC000539494076 564221104 /nfs/dbraw/zinc/22/11/04/564221104.db2.gz XQIWTQOOEZLPNA-XNRPHZJLSA-N 1 0 379.353 2.711 20 0 GFADRO C/C(=C\c1cccc(C(F)(F)F)c1)C[NH2+]C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000564114438 564221328 /nfs/dbraw/zinc/22/13/28/564221328.db2.gz AQUNLYLMEQJKGI-XETPBLJFSA-N 1 0 376.444 2.980 20 0 GFADRO COC(=O)c1ccc(S(=O)(=O)NCC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)s1 ZINC000507284322 564225011 /nfs/dbraw/zinc/22/50/11/564225011.db2.gz WNHIRUNKIJJZLQ-BETUJISGSA-N 1 0 388.555 2.570 20 0 GFADRO O=C(CC[NH2+]Cc1cc2c(cc1Br)OCO2)Nc1ccccn1 ZINC000539709586 564226191 /nfs/dbraw/zinc/22/61/91/564226191.db2.gz FAYZYJWFECSYQP-UHFFFAOYSA-N 1 0 378.226 2.691 20 0 GFADRO CC[C@H]1CN(c2ncnc3cc(Br)ccc32)CC[N@@H+]1C[C@@H](C)O ZINC000450311207 564226555 /nfs/dbraw/zinc/22/65/55/564226555.db2.gz GUQSXDIPRFBGMF-OCCSQVGLSA-N 1 0 379.302 2.674 20 0 GFADRO C[N@H+](CCCO)C1CCN(c2ncnc3cc(Br)ccc32)CC1 ZINC000450338978 564228427 /nfs/dbraw/zinc/22/84/27/564228427.db2.gz NAXPRGYMOGSLGB-UHFFFAOYSA-N 1 0 379.302 2.675 20 0 GFADRO Brc1ccc2c(c1)ncnc2N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000450353104 564228457 /nfs/dbraw/zinc/22/84/57/564228457.db2.gz DLFPOFGSKVJIRX-ZDUSSCGKSA-N 1 0 377.286 2.551 20 0 GFADRO CCN1CCN(C(=O)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)[C@@H](C)C1 ZINC000507423246 564229199 /nfs/dbraw/zinc/22/91/99/564229199.db2.gz REXHBGXKORVESH-JTQLQIEISA-N 1 0 377.794 2.850 20 0 GFADRO Cc1cc(S(=O)(=O)N2CCN(CC[C@H]3CCCC[N@H+]3C)CC2)c(C)s1 ZINC000472777440 564233347 /nfs/dbraw/zinc/23/33/47/564233347.db2.gz ZFCNWYLCYXFXBW-QGZVFWFLSA-N 1 0 385.599 2.546 20 0 GFADRO CC[C@H](Cn1cncn1)[NH2+][C@H](C)c1cc2c(cc1Br)OCCO2 ZINC000564424186 564233638 /nfs/dbraw/zinc/23/36/38/564233638.db2.gz QPLCUBBZSFWRKX-VXGBXAGGSA-N 1 0 381.274 2.941 20 0 GFADRO C[C@@H]1[C@H]([N@H+](C)CCO)CCN1C(=O)N[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000564457647 564234273 /nfs/dbraw/zinc/23/42/73/564234273.db2.gz FGOQLUPTTFXKJW-IPALMDDQSA-N 1 0 386.323 2.946 20 0 GFADRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)Cc1csc(NC(=O)c2cccs2)n1 ZINC000540012249 564236945 /nfs/dbraw/zinc/23/69/45/564236945.db2.gz JIOKUOBWYMLELF-VXGBXAGGSA-N 1 0 378.523 2.550 20 0 GFADRO C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)C1CCN(C(=O)c2ccc(Cl)s2)CC1 ZINC000540024956 564237330 /nfs/dbraw/zinc/23/73/30/564237330.db2.gz YAUVPQWFXJFXTF-STQMWFEESA-N 1 0 383.945 2.805 20 0 GFADRO NC(=O)[C@H]1CCC[C@H]([NH2+]Cc2c(Br)cncc2Br)C1 ZINC000564530291 564237650 /nfs/dbraw/zinc/23/76/50/564237650.db2.gz YRSTUAPMIJXRGH-IUCAKERBSA-N 1 0 391.107 2.740 20 0 GFADRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)C(=O)Nc1c(F)cccc1Br ZINC000507672087 564238729 /nfs/dbraw/zinc/23/87/29/564238729.db2.gz ACHDMIAPSBBLTG-NWDGAFQWSA-N 1 0 398.276 2.612 20 0 GFADRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)C(=O)Nc1ccc(F)cc1Br ZINC000507676740 564239011 /nfs/dbraw/zinc/23/90/11/564239011.db2.gz OMDSXDUGXUMFJY-YPMHNXCESA-N 1 0 398.276 2.612 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)c2ccc(-n3cc(Br)cn3)cc2)C1 ZINC000564568685 564239575 /nfs/dbraw/zinc/23/95/75/564239575.db2.gz VOHAACLNRXEVGA-JSGCOSHPSA-N 1 0 377.286 2.834 20 0 GFADRO Ic1cccc2ncnc(NC[C@@H]3CC[N@@H+](C4CC4)C3)c12 ZINC000564591534 564240407 /nfs/dbraw/zinc/24/04/07/564240407.db2.gz HCRMIHUHKZVJQL-NSHDSACASA-N 1 0 394.260 3.131 20 0 GFADRO COC(=O)[C@@H](O)C1CC[NH+](CCCC(=O)c2ccc(Br)cc2)CC1 ZINC000450603908 564240603 /nfs/dbraw/zinc/24/06/03/564240603.db2.gz VAUHFEPRPVEQLG-KRWDZBQOSA-N 1 0 398.297 2.658 20 0 GFADRO COc1cc(Br)c(C(=O)NCC[N@H+]2CC=C(C)CC2)cc1OC ZINC000450617222 564241730 /nfs/dbraw/zinc/24/17/30/564241730.db2.gz CRRDGYQTHJPSGW-UHFFFAOYSA-N 1 0 383.286 2.848 20 0 GFADRO CC[N@@H+]1CC[C@H](CNC(=O)c2cc(Br)cnc2OCC2CC2)C1 ZINC000507790935 564243526 /nfs/dbraw/zinc/24/35/26/564243526.db2.gz YLMPFYNMHBPHSJ-CYBMUJFWSA-N 1 0 382.302 2.705 20 0 GFADRO Cc1c([C@H](C)[NH2+][C@@H]2CCN(S(C)(=O)=O)C2)cnn1-c1cccc(Cl)c1 ZINC000564662929 564244798 /nfs/dbraw/zinc/24/47/98/564244798.db2.gz YTTUVSCOABRSIB-SWLSCSKDSA-N 1 0 382.917 2.519 20 0 GFADRO O=C(c1cc(I)ccc1Cl)N1CC[NH+]2CCC1CC2 ZINC000507863393 564244991 /nfs/dbraw/zinc/24/49/91/564244991.db2.gz NBFAZIBWTGKFJD-UHFFFAOYSA-N 1 0 390.652 2.865 20 0 GFADRO O=C([C@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1)N1CC[NH+]2CCC1CC2 ZINC000507854926 564245184 /nfs/dbraw/zinc/24/51/84/564245184.db2.gz ISTZJPWGZZVOFE-LBPRGKRZSA-N 1 0 382.291 2.653 20 0 GFADRO CC[NH+](CC)[C@H](CNC(=O)C(=O)N1CCS[C@H](C)CC1)c1ccsc1 ZINC000564740742 564247290 /nfs/dbraw/zinc/24/72/90/564247290.db2.gz FWTMJTBBPFXKIJ-GDBMZVCRSA-N 1 0 383.583 2.601 20 0 GFADRO Cn1cc(Br)cc1-c1nnc(N2CC[C@H]([NH+]3CCCCC3)C2)n1C ZINC000507979074 564249920 /nfs/dbraw/zinc/24/99/20/564249920.db2.gz DDYZRYPVTNYWJE-AWEZNQCLSA-N 1 0 393.333 2.648 20 0 GFADRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)C1(c2cccc(Br)c2)CC(=O)C1 ZINC000540513858 564250310 /nfs/dbraw/zinc/25/03/10/564250310.db2.gz KJBYMGPYVOEYJC-DLBZAZTESA-N 1 0 391.309 2.793 20 0 GFADRO CN(CCC[NH+](C)C)C(=O)CCC[S@](=O)c1ccc(Br)cc1 ZINC000540516226 564250584 /nfs/dbraw/zinc/25/05/84/564250584.db2.gz AMHLRBMVUBHGSV-QFIPXVFZSA-N 1 0 389.359 2.747 20 0 GFADRO COC[C@@]1(C(=O)Nc2nnc(SCc3ccc(F)cc3)s2)CC[NH2+]C1 ZINC000564824896 564250799 /nfs/dbraw/zinc/25/07/99/564250799.db2.gz MRLQPJUVSJUVOD-MRXNPFEDSA-N 1 0 382.486 2.534 20 0 GFADRO C[C@H](NC(=O)c1cn(-c2ccc(Br)cc2)cn1)[C@H]1CCC[NH2+]C1 ZINC000564837502 564251822 /nfs/dbraw/zinc/25/18/22/564251822.db2.gz PUKWIYVVRWMIPE-STQMWFEESA-N 1 0 377.286 2.753 20 0 GFADRO CS[C@H]1CN(CC(=O)N(C)Cc2ccc(Cl)c(Cl)c2)C[C@H]1[NH+](C)C ZINC000540589031 564252585 /nfs/dbraw/zinc/25/25/85/564252585.db2.gz NLTIXFQVRDDIEM-CVEARBPZSA-N 1 0 390.380 2.929 20 0 GFADRO CCN(CCC[NH+](CC)CC)S(=O)(=O)c1cc(Cl)ccc1C(=O)OC ZINC000473952377 564259724 /nfs/dbraw/zinc/25/97/24/564259724.db2.gz MTJCBWTZGWTAPZ-UHFFFAOYSA-N 1 0 390.933 2.869 20 0 GFADRO C[N@@H+]1CCN(CCNC(=O)[C@@H]2C[C@@H]2c2ccc(Br)cc2)CC1(C)C ZINC000508281771 564260153 /nfs/dbraw/zinc/26/01/53/564260153.db2.gz BAXPDIQYXIHIKW-IAGOWNOFSA-N 1 0 394.357 2.695 20 0 GFADRO COc1ccc(CC[NH2+][C@H](C)C2CCC(F)(F)CC2)cc1S(N)(=O)=O ZINC000474032919 564262336 /nfs/dbraw/zinc/26/23/36/564262336.db2.gz PNFPMYPIHHFNTF-GFCCVEGCSA-N 1 0 376.469 2.689 20 0 GFADRO C[NH+](C)C1(CNC(=O)c2cnn(-c3cccc(Br)c3)c2)CCC1 ZINC000474089787 564264409 /nfs/dbraw/zinc/26/44/09/564264409.db2.gz OQARQVLKPKWSMY-UHFFFAOYSA-N 1 0 377.286 2.849 20 0 GFADRO Cc1c(Br)cccc1S(=O)(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000474136880 564266638 /nfs/dbraw/zinc/26/66/38/564266638.db2.gz WBAZBYCREUJZND-AAEUAGOBSA-N 1 0 375.332 2.861 20 0 GFADRO CC[NH+](CC)CCS(=O)(=O)N(C)CCc1ccc(Br)cc1 ZINC000565115105 564266746 /nfs/dbraw/zinc/26/67/46/564266746.db2.gz TZBOILYQYUYIMO-UHFFFAOYSA-N 1 0 377.348 2.595 20 0 GFADRO CC[N@@H+]1CCCC[C@@H]1CNS(=O)(=O)c1ccc(Br)c(OC)c1 ZINC000474128070 564266728 /nfs/dbraw/zinc/26/67/28/564266728.db2.gz XZGBJDVHBRSFTF-GFCCVEGCSA-N 1 0 391.331 2.610 20 0 GFADRO CC[NH+](CC)CCO[C@@H]1CCN(S(=O)(=O)c2ccc(Cl)cc2F)C1 ZINC000474160669 564267602 /nfs/dbraw/zinc/26/76/02/564267602.db2.gz RIOZVXKBTGJSDM-CQSZACIVSA-N 1 0 378.897 2.601 20 0 GFADRO COC(=O)C1(C[NH2+][C@@H](C)c2ccc(Br)cc2OCCCO)CC1 ZINC000451053638 564268127 /nfs/dbraw/zinc/26/81/27/564268127.db2.gz ZQRSYXSHEFYUIL-LBPRGKRZSA-N 1 0 386.286 2.814 20 0 GFADRO O=C(N[C@H]1COc2cc(F)c(Br)cc21)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000508648049 564268714 /nfs/dbraw/zinc/26/87/14/564268714.db2.gz HLFGRSLPSILVBY-NHYWBVRUSA-N 1 0 396.260 2.677 20 0 GFADRO C[C@@H]1CN(c2cccc(Cl)c2)CC[N@@H+]1C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000565170345 564268864 /nfs/dbraw/zinc/26/88/64/564268864.db2.gz ITLOHNMGCLJQAH-CVEARBPZSA-N 1 0 385.961 2.522 20 0 GFADRO C[C@H]1COCC[N@@H+]1C1CCN(Cc2cc3c(c(Br)c2)OCO3)CC1 ZINC000565171593 564269341 /nfs/dbraw/zinc/26/93/41/564269341.db2.gz LHMDNGUKGKKQPX-ZDUSSCGKSA-N 1 0 397.313 2.863 20 0 GFADRO CN(CC[NH+]1CCCC1)C(=O)N[C@@H]1COc2cc(F)c(Br)cc21 ZINC000508666048 564269547 /nfs/dbraw/zinc/26/95/47/564269547.db2.gz PMKYDUADJPIXAV-CQSZACIVSA-N 1 0 386.265 2.759 20 0 GFADRO Cc1ccc(CCC(=O)N2CC[N@@H+](CC(C)(C)O)C[C@H]2C)c(Br)c1 ZINC000474194818 564269614 /nfs/dbraw/zinc/26/96/14/564269614.db2.gz FYXKLODXSYKLFP-OAHLLOKOSA-N 1 0 397.357 2.994 20 0 GFADRO CC(C)([NH3+])c1nocc1C(=O)N1CCOc2ccc(Br)cc2C1 ZINC000565214930 564271159 /nfs/dbraw/zinc/27/11/59/564271159.db2.gz QLWQXTFIGFBWIZ-UHFFFAOYSA-N 1 0 380.242 2.666 20 0 GFADRO C[C@@H]1CN([C@H]2CCN(c3cccc(Br)c3)C2=O)CC[N@@H+](C2CC2)C1 ZINC000451092047 564272817 /nfs/dbraw/zinc/27/28/17/564272817.db2.gz LFTHGQATUXSTKL-KSSFIOAISA-N 1 0 392.341 2.971 20 0 GFADRO [NH3+]C[C@@H]1CCCC[C@H]1N[C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000565357393 564276817 /nfs/dbraw/zinc/27/68/17/564276817.db2.gz OHYTXSGUUWEUGT-NILFDRSVSA-N 1 0 387.343 2.775 20 0 GFADRO [NH3+]C[C@@H]1CCCC[C@H]1N[C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000565357392 564277126 /nfs/dbraw/zinc/27/71/26/564277126.db2.gz OHYTXSGUUWEUGT-GLQYFDAESA-N 1 0 387.343 2.775 20 0 GFADRO CN(CC[NH+](C)C)C(=O)NCc1ccc(I)c(Cl)c1 ZINC000508958903 564277309 /nfs/dbraw/zinc/27/73/09/564277309.db2.gz CJOYTATUBDAAKB-UHFFFAOYSA-N 1 0 395.672 2.648 20 0 GFADRO CCOC(=O)C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)C1)c1cccc(Br)c1 ZINC000541441620 564278787 /nfs/dbraw/zinc/27/87/87/564278787.db2.gz IVMLITCRCSHSER-UKRRQHHQSA-N 1 0 383.286 2.511 20 0 GFADRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)c1cn2cc(Cl)cc(Cl)c2n1 ZINC000509044902 564280110 /nfs/dbraw/zinc/28/01/10/564280110.db2.gz GTZHMSYQNKLPTD-LLVKDONJSA-N 1 0 385.295 2.558 20 0 GFADRO C[NH+](C)[C@@H](CNCc1c(F)ccc(I)c1F)C1CC1 ZINC000474611863 564283070 /nfs/dbraw/zinc/28/30/70/564283070.db2.gz KMIQXTFHHDMTDG-ZDUSSCGKSA-N 1 0 380.220 2.999 20 0 GFADRO COc1ccc(Br)c(C[NH2+][C@@H](C)C2CCS(=O)(=O)CC2)c1 ZINC000474624527 564283184 /nfs/dbraw/zinc/28/31/84/564283184.db2.gz WVDDNPQZAZHFOZ-NSHDSACASA-N 1 0 376.316 2.761 20 0 GFADRO C[NH+](C)CCN(Cc1ccccn1)S(=O)(=O)C[C@H]1CCCCC1(F)F ZINC000451175107 564283371 /nfs/dbraw/zinc/28/33/71/564283371.db2.gz HRTWSZQNJZLKED-OAHLLOKOSA-N 1 0 375.485 2.601 20 0 GFADRO Cc1ccc(C[C@H](CO)CNC(=O)C23CCC[NH+]2CCC3)cc1Br ZINC000565523956 564284551 /nfs/dbraw/zinc/28/45/51/564284551.db2.gz LNASYMQZKFYBTN-INIZCTEOSA-N 1 0 395.341 2.653 20 0 GFADRO CC[C@@H](C)[C@@H](C[NH2+]CCS(=O)(=O)c1cccc(Br)c1)OC ZINC000565594698 564288077 /nfs/dbraw/zinc/28/80/77/564288077.db2.gz UMWHBOZPRYEHDG-IUODEOHRSA-N 1 0 378.332 2.874 20 0 GFADRO CC(C)(COc1ncccc1Br)NC(=O)NCCC[NH+]1CCCC1 ZINC000541796873 564288635 /nfs/dbraw/zinc/28/86/35/564288635.db2.gz BKKSFVGJQJHWOX-UHFFFAOYSA-N 1 0 399.333 2.787 20 0 GFADRO CC[C@@H]1C[N@H+](C)CCN1C(=O)[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000565679088 564291305 /nfs/dbraw/zinc/29/13/05/564291305.db2.gz QFJPENBGYQHCEV-TZMCWYRMSA-N 1 0 384.307 2.899 20 0 GFADRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NCCNc1cccc(Br)c1 ZINC000541848832 564292490 /nfs/dbraw/zinc/29/24/90/564292490.db2.gz CWBNOTNNQXJHJK-MLGOLLRUSA-N 1 0 381.318 2.643 20 0 GFADRO C[C@H](CCc1ccc(I)cc1)[NH2+][C@H](CO)c1cnn(C)c1 ZINC000474894568 564292982 /nfs/dbraw/zinc/29/29/82/564292982.db2.gz SNMNKXOLWGDOQH-MLGOLLRUSA-N 1 0 399.276 2.669 20 0 GFADRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1cc(I)ccc1F ZINC000474920606 564293194 /nfs/dbraw/zinc/29/31/94/564293194.db2.gz DOFJOYTXDPDYBW-LKFCYVNXSA-N 1 0 388.224 2.643 20 0 GFADRO CCC[N@H+](C)CC(=O)N(CCc1ccc(Cl)cc1)C[C@@H](O)C(F)(F)F ZINC000565747880 564294013 /nfs/dbraw/zinc/29/40/13/564294013.db2.gz UGQDWRJOTGPFDW-OAHLLOKOSA-N 1 0 380.838 2.976 20 0 GFADRO CCOc1ccccc1C[NH2+]CCNS(=O)(=O)c1ccc(F)cc1Cl ZINC000509406994 564296348 /nfs/dbraw/zinc/29/63/48/564296348.db2.gz ZBLZSSWTMCCYJY-UHFFFAOYSA-N 1 0 386.876 2.946 20 0 GFADRO CC[C@H]1C[C@H](C[NH2+]CCNS(=O)(=O)c2ccc(F)cc2Cl)CCO1 ZINC000509411525 564297455 /nfs/dbraw/zinc/29/74/55/564297455.db2.gz UPDYCGPFKHPBLW-OCCSQVGLSA-N 1 0 378.897 2.552 20 0 GFADRO C[C@@H]1CN(c2cc(C(F)(F)F)c(Br)cn2)[C@@H](C)C[N@@H+]1CCO ZINC000565830162 564297584 /nfs/dbraw/zinc/29/75/84/564297584.db2.gz FZXKVHPMBIKSSI-ZJUUUORDSA-N 1 0 382.224 2.754 20 0 GFADRO O=S(=O)(c1ccc(Br)cc1Cl)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000565833524 564297994 /nfs/dbraw/zinc/29/79/94/564297994.db2.gz HSOWTTFTRGAVIX-AWEZNQCLSA-N 1 0 393.734 2.867 20 0 GFADRO COCCCOc1ccc(Cl)cc1S(=O)(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000565892517 564300893 /nfs/dbraw/zinc/30/08/93/564300893.db2.gz RKRVWDYCBYAVSB-OAHLLOKOSA-N 1 0 390.933 2.566 20 0 GFADRO C[C@H](CCc1ccc(I)cc1)[NH2+][C@H](CO)[C@H]1CCCO1 ZINC000475225154 564303811 /nfs/dbraw/zinc/30/38/11/564303811.db2.gz TUQZSBZORGWXNA-DAXOMENPSA-N 1 0 389.277 2.742 20 0 GFADRO CCOc1cc(C[NH2+]C[C@H]2COCCO2)cc(Br)c1OC(F)F ZINC000509570797 564303999 /nfs/dbraw/zinc/30/39/99/564303999.db2.gz QRNATVKVTYSVEH-NSHDSACASA-N 1 0 396.228 2.954 20 0 GFADRO O=C(NCCOc1ncc(Cl)cc1Cl)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000565999623 564305481 /nfs/dbraw/zinc/30/54/81/564305481.db2.gz OMBCZDMVLLZAHE-QWHCGFSZSA-N 1 0 387.311 2.798 20 0 GFADRO CCOCC[C@@H](O)C[NH2+]Cc1ccc(Cl)cc1I ZINC000566005350 564305923 /nfs/dbraw/zinc/30/59/23/564305923.db2.gz FIEBDFHTUVGWMP-GFCCVEGCSA-N 1 0 383.657 2.822 20 0 GFADRO CO[C@@H]1CCN(C(=O)[C@@H]2C[C@]23CCc2cc(Br)ccc23)[C@@H](C[NH3+])C1 ZINC000566004502 564305942 /nfs/dbraw/zinc/30/59/42/564305942.db2.gz CPOBFYGCILGGPE-RRIFGTCXSA-N 1 0 393.325 2.618 20 0 GFADRO COc1cc(NC(=O)c2cc([C@H]3CC[NH2+]C3)[nH]n2)cc(OC)c1Br ZINC000566008235 564306065 /nfs/dbraw/zinc/30/60/65/564306065.db2.gz RGAZEKCEXTXGCQ-VIFPVBQESA-N 1 0 395.257 2.519 20 0 GFADRO Cc1cc(Br)cc(C)c1N1CCC[C@H]([N@@H+]2CC[C@@H](CO)C2)C1=O ZINC000509640382 564306964 /nfs/dbraw/zinc/30/69/64/564306964.db2.gz FVLFFWZDEBSWSM-ZBFHGGJFSA-N 1 0 381.314 2.876 20 0 GFADRO C[NH+](C)CC1CCN(C(=O)NCCOc2ncc(Cl)cc2Cl)CC1 ZINC000475362906 564307170 /nfs/dbraw/zinc/30/71/70/564307170.db2.gz ACVCLOSYWDMEEA-UHFFFAOYSA-N 1 0 375.300 2.750 20 0 GFADRO O[C@H](COc1ccc(Cl)cc1Br)C[N@@H+]1C[C@@H]2CC[C@H](O)[C@H]2C1 ZINC000542251584 564307928 /nfs/dbraw/zinc/30/79/28/564307928.db2.gz FPUILTQRVMXQKQ-NHULGOKLSA-N 1 0 390.705 2.545 20 0 GFADRO O=C(Cc1ccc(Br)cc1)N1CC[C@H](OCC[NH+]2CCCC2)C1 ZINC000475445023 564308516 /nfs/dbraw/zinc/30/85/16/564308516.db2.gz AOBPIEOYXRTZCY-KRWDZBQOSA-N 1 0 381.314 2.705 20 0 GFADRO O=C(CC[NH2+]C[C@H](O)COc1cccc(Br)c1)NC1CCCCC1 ZINC000566106677 564309256 /nfs/dbraw/zinc/30/92/56/564309256.db2.gz WXJXMAQSKDTMET-INIZCTEOSA-N 1 0 399.329 2.617 20 0 GFADRO COc1cc(C[NH2+][C@@]2(C)CCO[C@@H]2C)cc(I)c1OC ZINC000542313895 564309459 /nfs/dbraw/zinc/30/94/59/564309459.db2.gz IHWIEJFVZNRKPW-BMIGLBTASA-N 1 0 391.249 2.966 20 0 GFADRO COc1cncc(S(=O)(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)c1 ZINC000542314626 564309836 /nfs/dbraw/zinc/30/98/36/564309836.db2.gz SSTQUYCLVNACHN-GUYCJALGSA-N 1 0 381.523 2.513 20 0 GFADRO Cc1oc(Br)cc1C(=O)Nc1c[nH+]ccc1N1CCN(C)CC1 ZINC000566114071 564310380 /nfs/dbraw/zinc/31/03/80/564310380.db2.gz ZHHAIUZVMQLBEF-UHFFFAOYSA-N 1 0 379.258 2.750 20 0 GFADRO COCCCS(=O)(=O)NCC[N@H+](C)[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000475524302 564310563 /nfs/dbraw/zinc/31/05/63/564310563.db2.gz GXYAFTLKBGYFQD-CYBMUJFWSA-N 1 0 382.448 2.654 20 0 GFADRO O[C@@H](C[NH2+]C1CCN(Cc2cc(Cl)cc(Cl)c2)CC1)Cn1cccn1 ZINC000566132540 564311963 /nfs/dbraw/zinc/31/19/63/564311963.db2.gz XZVSCEYAXCROMR-SFHVURJKSA-N 1 0 383.323 2.805 20 0 GFADRO Cc1ccc(NC(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)[C@H]2C)c(Br)c1 ZINC000509790097 564313610 /nfs/dbraw/zinc/31/36/10/564313610.db2.gz IOYJHPTZSHUCAF-CZUORRHYSA-N 1 0 394.313 2.781 20 0 GFADRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)C(=O)Nc1ccc(Br)c(F)c1 ZINC000509797698 564313756 /nfs/dbraw/zinc/31/37/56/564313756.db2.gz YNBKIGSUJPQHKY-IAQYHMDHSA-N 1 0 398.276 2.612 20 0 GFADRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)N1CCN(C(=O)c2cc3sccc3s2)CC1 ZINC000566192193 564315604 /nfs/dbraw/zinc/31/56/04/564315604.db2.gz JKRSADLMNRVLLP-VXGBXAGGSA-N 1 0 380.539 2.556 20 0 GFADRO C[C@H]([NH3+])C[C@H](C)NC(=O)NC1CCN(Cc2ccc(Br)cc2)CC1 ZINC000566192877 564315686 /nfs/dbraw/zinc/31/56/86/564315686.db2.gz RWZVKLVJVKSUPC-KBPBESRZSA-N 1 0 397.361 2.839 20 0 GFADRO C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)NCC(F)F ZINC000542504141 564316057 /nfs/dbraw/zinc/31/60/57/564316057.db2.gz OEMYKRFOVBJVIT-UHFFFAOYSA-N 1 0 396.265 2.655 20 0 GFADRO C[NH2+][C@@H](C(=O)N(C)C[C@H](C)Oc1ccc(Cl)c(Cl)c1)c1cnn(C)c1 ZINC000566196657 564316307 /nfs/dbraw/zinc/31/63/07/564316307.db2.gz UNMILCGUMWVEEO-MEDUHNTESA-N 1 0 385.295 2.913 20 0 GFADRO COC[C@H]([NH2+]CC(=O)N(C)CCOc1ccc(Br)cc1)C(C)C ZINC000542525625 564317652 /nfs/dbraw/zinc/31/76/52/564317652.db2.gz PFQBWAIUDOIMTL-INIZCTEOSA-N 1 0 387.318 2.547 20 0 GFADRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)Nc1ccnn1Cc1ccccc1Br ZINC000566228269 564318418 /nfs/dbraw/zinc/31/84/18/564318418.db2.gz CXRRLQIUHVPDQE-VXGBXAGGSA-N 1 0 380.290 2.941 20 0 GFADRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)NCC1(c2ccc(Cl)cc2Cl)CCC1 ZINC000566236413 564319169 /nfs/dbraw/zinc/31/91/69/564319169.db2.gz DHOFIJYKIOQRAN-VXGBXAGGSA-N 1 0 386.323 2.773 20 0 GFADRO CC[N@@H+]1CCC[C@@H](CNC(=O)c2cc(=O)c3cc(Br)ccc3[nH]2)C1 ZINC000542652260 564320418 /nfs/dbraw/zinc/32/04/18/564320418.db2.gz DSSNLVIYFVWWPZ-LBPRGKRZSA-N 1 0 392.297 2.752 20 0 GFADRO CO[C@H]1C[C@@H]([NH2+]CCS(=O)(=O)c2cccc(Br)c2)C1(C)C ZINC000451513072 564320595 /nfs/dbraw/zinc/32/05/95/564320595.db2.gz YKAVNZNFJDNHIH-KGLIPLIRSA-N 1 0 376.316 2.626 20 0 GFADRO O=C(NCCCC[N@H+]1CCC[C@@H]1CO)[C@@H]1CCc2cc(Br)ccc21 ZINC000566284097 564321098 /nfs/dbraw/zinc/32/10/98/564321098.db2.gz RKRWYWZDQCWHCS-SJLPKXTDSA-N 1 0 395.341 2.832 20 0 GFADRO CN([C@@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1)S(=O)(=O)c1ccsc1 ZINC000510064667 564324254 /nfs/dbraw/zinc/32/42/54/564324254.db2.gz LOCYPLZVGOZCPU-ZWKOTPCHSA-N 1 0 385.599 2.706 20 0 GFADRO CO[C@H]1CCN(CC(=O)Nc2cccc(I)c2)C[C@H]1C ZINC000451569190 564326740 /nfs/dbraw/zinc/32/67/40/564326740.db2.gz OGEZURGZJVNNRH-RISCZKNCSA-N 1 0 388.249 2.587 20 0 GFADRO Cc1cc(NC(=O)CN2CC[C@H](c3cccc(Br)c3)C2)n(C)n1 ZINC000451574397 564327309 /nfs/dbraw/zinc/32/73/09/564327309.db2.gz VLANGDGWZZQLFL-AWEZNQCLSA-N 1 0 377.286 2.919 20 0 GFADRO CCOC(=O)CCCNC(=O)CN1CC[C@@H](c2cccc(Br)c2)C1 ZINC000451575981 564327907 /nfs/dbraw/zinc/32/79/07/564327907.db2.gz ZBZGFASRXUZOJD-OAHLLOKOSA-N 1 0 397.313 2.698 20 0 GFADRO OC[C@H]([C@H]([NH2+]Cc1nnc(-c2ccc(Br)o2)o1)C1CC1)C1CC1 ZINC000451584566 564328420 /nfs/dbraw/zinc/32/84/20/564328420.db2.gz BJJUVHHUSYPWKO-XHDPSFHLSA-N 1 0 382.258 2.979 20 0 GFADRO CSC[C@@H]([NH2+]C[C@H]1CCN(S(C)(=O)=O)C1)c1ccc(C(F)(F)F)cc1 ZINC000542850540 564328454 /nfs/dbraw/zinc/32/84/54/564328454.db2.gz YVVQQMLKTZESFW-IUODEOHRSA-N 1 0 396.500 2.981 20 0 GFADRO CCn1c(SC[C@@H](O)C[N@H+](C)CCOC)nnc1-c1cccc(Cl)c1 ZINC000566480738 564329042 /nfs/dbraw/zinc/32/90/42/564329042.db2.gz BZFICLVXFGQIIX-HNNXBMFYSA-N 1 0 384.933 2.650 20 0 GFADRO C[N@@H+]1CC[C@@H]2OCCN(C(=O)c3cc4c(Br)cccc4cn3)[C@@H]2C1 ZINC000451591192 564329110 /nfs/dbraw/zinc/32/91/10/564329110.db2.gz AETLOGRFCNDLAW-SJORKVTESA-N 1 0 390.281 2.542 20 0 GFADRO COC(=O)[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)N[C@@H](C)c1ccc(Br)cc1 ZINC000451590242 564329369 /nfs/dbraw/zinc/32/93/69/564329369.db2.gz BJTQXNYMBKRYMP-MAZHCROVSA-N 1 0 397.313 2.948 20 0 GFADRO C[N@H+](CC1CC1)C[C@@H]1CCN(S(=O)(=O)c2c(F)c(F)cc(F)c2F)C1 ZINC000510339559 564330086 /nfs/dbraw/zinc/33/00/86/564330086.db2.gz FSKZKQNZGXLZCC-NSHDSACASA-N 1 0 380.407 2.595 20 0 GFADRO C[C@H](CNC(=O)N[C@H](CCO)c1ccccc1Br)C[NH+]1CCCC1 ZINC000542892812 564330810 /nfs/dbraw/zinc/33/08/10/564330810.db2.gz CCIIMGKRYJTRAP-RHSMWYFYSA-N 1 0 398.345 2.904 20 0 GFADRO C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)N1CCNC[C@@H]1C(F)F ZINC000566556538 564331632 /nfs/dbraw/zinc/33/16/32/564331632.db2.gz RIWZFBXDXOAYIW-LDYMZIIASA-N 1 0 397.647 2.935 20 0 GFADRO C[N@@H+]1CC[C@H]2OCCN(C(=O)c3cc4c(ccc(F)c4Br)[nH]3)[C@@H]2C1 ZINC000451617922 564331965 /nfs/dbraw/zinc/33/19/65/564331965.db2.gz VDZBDJCGXBGLHO-HUUCEWRRSA-N 1 0 396.260 2.615 20 0 GFADRO CC[N@H+]1C[C@@H](C)N(C(=O)c2cc(I)ccc2F)[C@@H](C)C1 ZINC000566585060 564333455 /nfs/dbraw/zinc/33/34/55/564333455.db2.gz MMFPLUOKMRCTRS-PHIMTYICSA-N 1 0 390.240 2.985 20 0 GFADRO C[C@H]([NH2+]CC(=O)N1CCC[C@H](C(F)(F)F)C1)c1ccc([S@@](C)=O)cc1 ZINC000542977972 564334416 /nfs/dbraw/zinc/33/44/16/564334416.db2.gz SWIPXJFALCBDRS-VFYQPRLDSA-N 1 0 376.444 2.876 20 0 GFADRO O=C(Nc1ccn(-c2ccc(Cl)cc2Cl)n1)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000566608567 564334535 /nfs/dbraw/zinc/33/45/35/564334535.db2.gz UKOYZJXRXIDHHA-VXGBXAGGSA-N 1 0 380.279 3.252 20 0 GFADRO O=C(N[C@@H]1COc2cc(F)c(Br)cc21)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000566610242 564334587 /nfs/dbraw/zinc/33/45/87/564334587.db2.gz HRSWFBHIOUYOMJ-JRPNMDOOSA-N 1 0 398.276 2.663 20 0 GFADRO COC(=O)c1scc(C)c1S(=O)(=O)N[C@@H](CC(C)C)C[NH+]1CCCC1 ZINC000451653577 564336395 /nfs/dbraw/zinc/33/63/95/564336395.db2.gz SNYXLOQRNZXPSQ-AWEZNQCLSA-N 1 0 388.555 2.632 20 0 GFADRO C[C@@H]1CN(CCOc2ccc(Cl)cc2Br)C[C@H](C)[N@H+]1CCO ZINC000451668311 564337974 /nfs/dbraw/zinc/33/79/74/564337974.db2.gz RYXDXVUJGANOON-BETUJISGSA-N 1 0 391.737 2.868 20 0 GFADRO CC1CC[NH+](C[C@H](O)CNC(=O)COc2cc(Cl)cc(Cl)c2)CC1 ZINC000476464003 564340576 /nfs/dbraw/zinc/34/05/76/564340576.db2.gz WKGGZTIPRZVRTR-OAHLLOKOSA-N 1 0 375.296 2.581 20 0 GFADRO CC[N@@H+]1C[C@@H](C)N(C(=O)c2c(C)nc3ccc(Br)cn32)C[C@@H]1C ZINC000476525903 564343346 /nfs/dbraw/zinc/34/33/46/564343346.db2.gz ROSMUYIEIDGPAA-NWDGAFQWSA-N 1 0 379.302 2.960 20 0 GFADRO CCC[NH+]1CCC(CNS(=O)(=O)c2cccc(Br)c2F)CC1 ZINC000543244425 564343654 /nfs/dbraw/zinc/34/36/54/564343654.db2.gz GHHJMEFIZWCQGY-UHFFFAOYSA-N 1 0 393.322 2.989 20 0 GFADRO O=S(=O)(c1ccc(C[NH2+][C@H]2CCC[C@@H]2CCCF)s1)N1CCOCC1 ZINC000510699596 564343961 /nfs/dbraw/zinc/34/39/61/564343961.db2.gz ZPGQFYOVGRKHQU-ZBFHGGJFSA-N 1 0 390.546 2.777 20 0 GFADRO CCc1cnc(C[NH2+]CC2CCN(S(=O)(=O)c3ccccc3)CC2)s1 ZINC000543250156 564344669 /nfs/dbraw/zinc/34/46/69/564344669.db2.gz RKNHOCDCDITOTB-UHFFFAOYSA-N 1 0 379.551 2.896 20 0 GFADRO CC[N@H+](CCNC(=O)c1cc(Br)cnc1OCC1CC1)C1CC1 ZINC000510814252 564347276 /nfs/dbraw/zinc/34/72/76/564347276.db2.gz NFRHSFWJYRMBAI-UHFFFAOYSA-N 1 0 382.302 2.847 20 0 GFADRO CC(C)C(=O)N1CCC([NH2+]C[C@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000566874329 564347668 /nfs/dbraw/zinc/34/76/68/564347668.db2.gz MIVIMBPTZPIESG-HNNXBMFYSA-N 1 0 389.323 2.970 20 0 GFADRO COC(=O)c1ccc(Cl)cc1S(=O)(=O)N[C@@H](C)C[NH+]1CCCCCC1 ZINC000476593095 564347943 /nfs/dbraw/zinc/34/79/43/564347943.db2.gz GPMKAVMMGVRIEE-ZDUSSCGKSA-N 1 0 388.917 2.669 20 0 GFADRO C[NH+](C)[C@@H](CNc1cc(Br)cnc1C(N)=O)c1ccc(F)cc1 ZINC000543410454 564349364 /nfs/dbraw/zinc/34/93/64/564349364.db2.gz QTAGPLMMADLUSA-AWEZNQCLSA-N 1 0 381.249 2.797 20 0 GFADRO C[NH+](C)[C@H](CNc1cc(Br)cnc1C(N)=O)c1ccc(F)cc1 ZINC000543410456 564349426 /nfs/dbraw/zinc/34/94/26/564349426.db2.gz QTAGPLMMADLUSA-CQSZACIVSA-N 1 0 381.249 2.797 20 0 GFADRO O=C(CC(F)(F)F)NC[C@H]1CCC[N@H+](CC[S@@](=O)c2ccccc2)C1 ZINC000510915643 564349858 /nfs/dbraw/zinc/34/98/58/564349858.db2.gz JMXMGKVJMQNHSD-DLUDVSRJSA-N 1 0 376.444 2.575 20 0 GFADRO CCN(CCC[N@H+](C)[C@@H](C)c1cccc(S(N)(=O)=O)c1)CC(F)(F)F ZINC000543444886 564351578 /nfs/dbraw/zinc/35/15/78/564351578.db2.gz DPNAHZFPTVRGQR-ZDUSSCGKSA-N 1 0 381.464 2.601 20 0 GFADRO CCC[N@@H+]1CCC[C@H]1CNS(=O)(=O)Cc1ccc(Br)cc1 ZINC000510967079 564352112 /nfs/dbraw/zinc/35/21/12/564352112.db2.gz LUYNOYTXVSGZMF-HNNXBMFYSA-N 1 0 375.332 2.743 20 0 GFADRO O=C(NCC[NH2+]Cc1cc(C(F)(F)F)ccc1Br)c1ccn[nH]1 ZINC000567003003 564353513 /nfs/dbraw/zinc/35/35/13/564353513.db2.gz QLFYIHQZLXJANQ-UHFFFAOYSA-N 1 0 391.191 2.711 20 0 GFADRO O=S1(=O)CC[C@@H]([NH2+]CCCOC(F)F)c2cc(Br)ccc21 ZINC000511028912 564353734 /nfs/dbraw/zinc/35/37/34/564353734.db2.gz HVZDSEUTRUXFGA-LLVKDONJSA-N 1 0 384.242 2.887 20 0 GFADRO O=C(C(=O)N1CCC(C[NH+]2CCCC2)CC1)c1ccc(Br)cc1 ZINC000511022486 564353765 /nfs/dbraw/zinc/35/37/65/564353765.db2.gz PUKCNNYKCLPICW-UHFFFAOYSA-N 1 0 379.298 2.966 20 0 GFADRO Cc1ccc(CCC(=O)N2CC[N@@H+](C[C@H](C)O)C[C@@H]2C)c(Br)c1 ZINC000476851459 564355697 /nfs/dbraw/zinc/35/56/97/564355697.db2.gz LJVVBZXPYAOKME-GJZGRUSLSA-N 1 0 383.330 2.604 20 0 GFADRO C[C@@H](O)C[N@@H+]1CCN(C(=O)CCOc2ccc(Cl)cc2Cl)[C@H](C)C1 ZINC000476854740 564355716 /nfs/dbraw/zinc/35/57/16/564355716.db2.gz SPGUOCGFXOVYFD-CHWSQXEVSA-N 1 0 375.296 2.676 20 0 GFADRO CC(C)(C(=O)NCCCN1CC[NH2+]CC1)c1csc(-c2cccs2)n1 ZINC000567109618 564358535 /nfs/dbraw/zinc/35/85/35/564358535.db2.gz WGIXFDBMLHFRRZ-UHFFFAOYSA-N 1 0 378.567 2.561 20 0 GFADRO CC[C@@H](C)[NH+]1CCN(C[C@@H](O)COc2cc(F)cc(Br)c2)CC1 ZINC000451843151 564358734 /nfs/dbraw/zinc/35/87/34/564358734.db2.gz NNNSJPPFIYHPEJ-CZUORRHYSA-N 1 0 389.309 2.744 20 0 GFADRO O=C([C@@H]1C[C@]12CCc1cc(Br)ccc12)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000567164690 564360062 /nfs/dbraw/zinc/36/00/62/564360062.db2.gz UOUIZPKUNQOACL-WDSOQIARSA-N 1 0 375.310 2.865 20 0 GFADRO CO[C@H]1C[C@H]2C[C@@H]([NH2+]C[C@H]3CCN(S(=O)(=O)c4cccs4)C3)C[C@H]2C1 ZINC000567159766 564360215 /nfs/dbraw/zinc/36/02/15/564360215.db2.gz KSOVQTQPUXEEGE-UUAJXVIYSA-N 1 0 384.567 2.552 20 0 GFADRO CO[C@H]1C[C@H]2C[C@H]([NH2+]C[C@@H]3CCN(S(=O)(=O)c4cccs4)C3)C[C@H]2C1 ZINC000567159764 564360337 /nfs/dbraw/zinc/36/03/37/564360337.db2.gz KSOVQTQPUXEEGE-FIDHJVLJSA-N 1 0 384.567 2.552 20 0 GFADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)C1(c2cc(F)cc(Br)c2)CC1 ZINC000511189063 564361611 /nfs/dbraw/zinc/36/16/11/564361611.db2.gz DDNBDIPJTZOEKL-MRXNPFEDSA-N 1 0 399.304 2.847 20 0 GFADRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N[C@H](C)Cc1ccc(Cl)cc1Cl ZINC000477027200 564361931 /nfs/dbraw/zinc/36/19/31/564361931.db2.gz JWRPZLXUCMKKJW-CHWSQXEVSA-N 1 0 388.339 2.887 20 0 GFADRO C[C@H]1CSc2ccc(Br)cc2[C@H]1[NH2+]CCNC(=O)c1ccn[nH]1 ZINC000543740284 564362033 /nfs/dbraw/zinc/36/20/33/564362033.db2.gz RGUGOQFVPWODMD-BONVTDFDSA-N 1 0 395.326 2.975 20 0 GFADRO CCN1CCN(S(=O)(=O)c2c(Cl)cc(F)cc2Br)[C@H](C)C1 ZINC000511226398 564363134 /nfs/dbraw/zinc/36/31/34/564363134.db2.gz ZQXZEARMVHETOD-SECBINFHSA-N 1 0 399.713 2.956 20 0 GFADRO COc1ccc(CNCC(=O)NCC[NH+]2CCCCCC2)c(Br)c1 ZINC000567258203 564364032 /nfs/dbraw/zinc/36/40/32/564364032.db2.gz VFPCCSKFVKIBSE-UHFFFAOYSA-N 1 0 398.345 2.540 20 0 GFADRO Cn1ccnc1[C@H](NS(=O)(=O)c1ccc(OC(F)F)c(F)c1)C1CC1 ZINC000511262775 564364623 /nfs/dbraw/zinc/36/46/23/564364623.db2.gz VUVLLRCVICPIOQ-CYBMUJFWSA-N 1 0 375.372 2.590 20 0 GFADRO COC(=O)c1ccc(OCC[N@@H+]2CC[C@@H]([C@@H](O)C(F)(F)F)C2)c(Cl)c1 ZINC000451906285 564364760 /nfs/dbraw/zinc/36/47/60/564364760.db2.gz LFZQWMVNLVDFKA-BXUZGUMPSA-N 1 0 381.778 2.751 20 0 GFADRO Cc1nc2ccc(Br)cn2c1C(=O)N1CC[N@H+](C)[C@@H](C(C)C)C1 ZINC000477121310 564365550 /nfs/dbraw/zinc/36/55/50/564365550.db2.gz RAKUVACFPPUSNA-CQSZACIVSA-N 1 0 379.302 2.817 20 0 GFADRO OC[C@@H]([NH2+]C[C@@H](O)COCc1cccs1)c1ccc(Br)cc1 ZINC000543837721 564366113 /nfs/dbraw/zinc/36/61/13/564366113.db2.gz FHDYHCFJRUKRQZ-GDBMZVCRSA-N 1 0 386.311 2.711 20 0 GFADRO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC(=O)Nc3ccc(Br)cc32)C1 ZINC000567322277 564366165 /nfs/dbraw/zinc/36/61/65/564366165.db2.gz VKSHDTPKYUKYPI-DIOULYMOSA-N 1 0 394.313 2.720 20 0 GFADRO CCN1CCN(S(=O)(=O)c2cc(Br)c(F)cc2C)[C@H](C)C1 ZINC000511333618 564368433 /nfs/dbraw/zinc/36/84/33/564368433.db2.gz LZODXDVZMSBNQN-LLVKDONJSA-N 1 0 379.295 2.611 20 0 GFADRO COC[C@]1(CO)CC[N@H+](CC(=O)N[C@@H](C)c2ccc(Cl)c(Cl)c2)C1 ZINC000451930603 564369444 /nfs/dbraw/zinc/36/94/44/564369444.db2.gz QZSWOMWEDZFHIZ-YVEFUNNKSA-N 1 0 375.296 2.501 20 0 GFADRO CN(C)CC[N@H+](C)CCCNC(=O)c1cc2c(cc(Br)cc2F)[nH]1 ZINC000567408364 564370067 /nfs/dbraw/zinc/37/00/67/564370067.db2.gz KSAWMKXUGGGFAQ-UHFFFAOYSA-N 1 0 399.308 2.683 20 0 GFADRO COC[C@]1(CO)CCN(CC(=O)Nc2cc(Cl)c(Cl)cc2Cl)C1 ZINC000451937022 564370540 /nfs/dbraw/zinc/37/05/40/564370540.db2.gz XBEDBDQAUBIYOI-OAHLLOKOSA-N 1 0 381.687 2.916 20 0 GFADRO Cc1cc(COc2ccc(C(=O)N[C@@H](C)CC[NH3+])cc2Br)no1 ZINC000477313190 564373044 /nfs/dbraw/zinc/37/30/44/564373044.db2.gz AKQPTVBVAOKRRX-JTQLQIEISA-N 1 0 382.258 2.792 20 0 GFADRO CCOC(=O)CC[C@@H](O)C[NH2+]CCc1c[nH]c2cccc(Br)c12 ZINC000567494492 564374579 /nfs/dbraw/zinc/37/45/79/564374579.db2.gz JIMVZGWLRGWJBD-CYBMUJFWSA-N 1 0 383.286 2.767 20 0 GFADRO CC[N@@H+]1CCN(C[C@H](O)COc2ccc(Cl)cc2Br)[C@H](C)C1 ZINC000511584700 564376657 /nfs/dbraw/zinc/37/66/57/564376657.db2.gz IXINHSJWWJOURQ-OCCSQVGLSA-N 1 0 391.737 2.868 20 0 GFADRO Cc1cc(Br)cc(Cl)c1C(=O)NCCC[NH+]1CCC(O)CC1 ZINC000477449700 564377531 /nfs/dbraw/zinc/37/75/31/564377531.db2.gz ZRCSIUHBZGBHPP-UHFFFAOYSA-N 1 0 389.721 2.988 20 0 GFADRO C[C@H](CNS(=O)(=O)c1ccc(OC(F)F)c(F)c1)[NH+]1CCC(C)CC1 ZINC000567569225 564377617 /nfs/dbraw/zinc/37/76/17/564377617.db2.gz QGGOABYARJYQRO-GFCCVEGCSA-N 1 0 380.432 2.826 20 0 GFADRO COCCN(CC[NH+](C)C)C(=O)CCc1cc(F)ccc1Br ZINC000544237283 564379234 /nfs/dbraw/zinc/37/92/34/564379234.db2.gz MHAGSKRITKWQAD-UHFFFAOYSA-N 1 0 375.282 2.557 20 0 GFADRO CC[NH+](CC)C[C@@H](C)NC(=O)c1cc(F)ccc1I ZINC000511701164 564380239 /nfs/dbraw/zinc/38/02/39/564380239.db2.gz FUVSBYQBTYNPOJ-SNVBAGLBSA-N 1 0 378.229 2.890 20 0 GFADRO C[C@@H](CNC(=O)c1cc(F)ccc1I)C[NH+]1CCCC1 ZINC000511771800 564381109 /nfs/dbraw/zinc/38/11/09/564381109.db2.gz PJHMEUPUWBVGIS-NSHDSACASA-N 1 0 390.240 2.892 20 0 GFADRO O=C(NCC[NH+]1CCC1)NC1CCN(Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000544289429 564381191 /nfs/dbraw/zinc/38/11/91/564381191.db2.gz ZJMUTXZDURITBY-UHFFFAOYSA-N 1 0 385.339 2.963 20 0 GFADRO COC[C@@]1(CNC(=O)c2cc(Cl)cc(Br)c2F)CCC[NH2+]1 ZINC000567671723 564382389 /nfs/dbraw/zinc/38/23/89/564382389.db2.gz CCKRZSXMMMNTQU-AWEZNQCLSA-N 1 0 379.657 2.740 20 0 GFADRO COC(=O)CCNC(=O)C[NH2+]C1(c2cccc(Br)c2)CCCCC1 ZINC000477658947 564382681 /nfs/dbraw/zinc/38/26/81/564382681.db2.gz IMGFNPROFPGZFD-UHFFFAOYSA-N 1 0 397.313 2.877 20 0 GFADRO CCCCN(C(=O)C[NH2+][C@@H](c1cccs1)C1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000544400786 564384928 /nfs/dbraw/zinc/38/49/28/564384928.db2.gz VZFPMLRJLWCBNJ-CRAIPNDOSA-N 1 0 384.567 2.605 20 0 GFADRO O=S(=O)(c1nc2ccccc2s1)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000567783050 564388160 /nfs/dbraw/zinc/38/81/60/564388160.db2.gz KQUADQUKOGPKAJ-CZUORRHYSA-N 1 0 377.535 2.934 20 0 GFADRO C[C@@H]1C[C@@H](O)C[N@H+](C[C@@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000452065212 564388522 /nfs/dbraw/zinc/38/85/22/564388522.db2.gz HJBBQJDCPLVURB-RAIGVLPGSA-N 1 0 378.694 2.545 20 0 GFADRO COc1ccc(C[NH2+]C2CCC(S(C)(=O)=O)CC2)c(Br)c1 ZINC000512008624 564389518 /nfs/dbraw/zinc/38/95/18/564389518.db2.gz NDNACJBTULFDCO-UHFFFAOYSA-N 1 0 376.316 2.903 20 0 GFADRO CC(C)(C[NH+]1CCCC1)NS(=O)(=O)Cc1ccccc1Br ZINC000452092584 564390436 /nfs/dbraw/zinc/39/04/36/564390436.db2.gz VJVFDCQOYJCACC-UHFFFAOYSA-N 1 0 375.332 2.743 20 0 GFADRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)NCc1cc(Br)ccc1OC(F)F ZINC000567820128 564391198 /nfs/dbraw/zinc/39/11/98/564391198.db2.gz GFABEWJFWNMLMY-RKDXNWHRSA-N 1 0 380.233 2.976 20 0 GFADRO COc1ccc(S(=O)(=O)N(C)[C@H]2CC[N@@H+](C(C)C)C2)cc1Br ZINC000452096974 564391679 /nfs/dbraw/zinc/39/16/79/564391679.db2.gz PLLOTQWNSMOKTB-LBPRGKRZSA-N 1 0 391.331 2.561 20 0 GFADRO C[C@@H]1CN(C(=O)CCNC(=O)Nc2ccc(Br)cc2)[C@@H](C)C[N@@H+]1C ZINC000512112655 564392682 /nfs/dbraw/zinc/39/26/82/564392682.db2.gz AGTZQTORFKVLIU-OLZOCXBDSA-N 1 0 397.317 2.512 20 0 GFADRO COc1cc(S(=O)(=O)N(C)[C@@H]2CC[N@@H+](C(C)C)C2)ccc1Br ZINC000452104394 564392789 /nfs/dbraw/zinc/39/27/89/564392789.db2.gz LYJVTHHCFPAQEZ-GFCCVEGCSA-N 1 0 391.331 2.561 20 0 GFADRO COc1cc(C(F)(F)F)cc(S(=O)(=O)N(C)[C@@H]2CC[N@@H+](C(C)C)C2)c1 ZINC000452101350 564392934 /nfs/dbraw/zinc/39/29/34/564392934.db2.gz GGIQWAXUSYNWRX-CYBMUJFWSA-N 1 0 380.432 2.817 20 0 GFADRO O=C(N[C@@H](c1cncc(Br)c1)C1CC1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000567871900 564393479 /nfs/dbraw/zinc/39/34/79/564393479.db2.gz YZFVUJFAVYHCQA-JKIFEVAISA-N 1 0 393.329 2.936 20 0 GFADRO [NH3+]CCN(CCc1ccccc1)S(=O)(=O)C1CCC(C(F)(F)F)CC1 ZINC000567869077 564393762 /nfs/dbraw/zinc/39/37/62/564393762.db2.gz FDIDKGBRIHMMNW-UHFFFAOYSA-N 1 0 378.460 2.941 20 0 GFADRO CC(C)[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2ccc(F)cc2Br)C1 ZINC000452107536 564393846 /nfs/dbraw/zinc/39/38/46/564393846.db2.gz SXVWCSUHGLPQGR-LBPRGKRZSA-N 1 0 379.295 2.691 20 0 GFADRO C[C@@H]1CSC[C@H]1[NH2+]CC(=O)NC[C@@H](c1ccccc1Cl)N1CCCC1 ZINC000512151440 564394050 /nfs/dbraw/zinc/39/40/50/564394050.db2.gz YLZUNDGBAUEXTB-OLMNPRSZSA-N 1 0 381.973 2.934 20 0 GFADRO CC(C)(CNc1ccc(S(N)(=O)=O)c(C(F)(F)F)c1)C[NH+]1CCCC1 ZINC000478045317 564394269 /nfs/dbraw/zinc/39/42/69/564394269.db2.gz JIWJUIJNTRRMHR-UHFFFAOYSA-N 1 0 379.448 2.887 20 0 GFADRO C[C@H]1C[N@H+](CCO)CCN1Cc1coc(-c2ccc(Br)cc2)n1 ZINC000452117099 564394628 /nfs/dbraw/zinc/39/46/28/564394628.db2.gz NQBOFCTXVMUUAZ-ZDUSSCGKSA-N 1 0 380.286 2.603 20 0 GFADRO CCOc1c(Br)cc(C[NH2+]C[C@H]2CC(=O)N(C3CC3)C2)cc1OC ZINC000567904619 564395432 /nfs/dbraw/zinc/39/54/32/564395432.db2.gz GHTZJZXGUYGDKO-CYBMUJFWSA-N 1 0 397.313 2.957 20 0 GFADRO CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)N1CC([NH+](C)C)C1 ZINC000478131715 564396173 /nfs/dbraw/zinc/39/61/73/564396173.db2.gz JULIGCWEWGMJGK-INIZCTEOSA-N 1 0 386.323 2.910 20 0 GFADRO [NH3+]C[C@@H]1c2ccccc2CCN1C(=O)c1[nH]nc(C2CC2)c1Br ZINC000567927044 564396492 /nfs/dbraw/zinc/39/64/92/564396492.db2.gz SZJSSRDIAMECMQ-CYBMUJFWSA-N 1 0 375.270 2.748 20 0 GFADRO COc1ccc(Br)cc1-c1nc(CN2CCO[C@H](C[NH3+])C2)cs1 ZINC000478245723 564397701 /nfs/dbraw/zinc/39/77/01/564397701.db2.gz BBWWIHJKVSUURJ-CYBMUJFWSA-N 1 0 398.326 2.741 20 0 GFADRO CN(C)[C@@H](C(=O)Nc1nc2c(s1)C[C@@H]([NH3+])CC2)c1c(F)cccc1Cl ZINC000567979902 564398725 /nfs/dbraw/zinc/39/87/25/564398725.db2.gz BSMUTVGDPRUPQX-BJOHPYRUSA-N 1 0 382.892 2.993 20 0 GFADRO Cc1cc(Br)cn2cc(CCNC(=O)C[NH+]3CCC(C)CC3)nc12 ZINC000544772230 564398706 /nfs/dbraw/zinc/39/87/06/564398706.db2.gz BBMGPJOGKGFJJH-UHFFFAOYSA-N 1 0 393.329 2.796 20 0 GFADRO C[C@@H](Oc1ccc(Cl)c(Cl)c1)C(=O)N[C@H](CO)C[NH+]1CCCCC1 ZINC000512389525 564399772 /nfs/dbraw/zinc/39/97/72/564399772.db2.gz NGUMFVIWRMHHKX-OLZOCXBDSA-N 1 0 375.296 2.724 20 0 GFADRO O=C(NCC[N@@H+]1CCCOCC1)NC1(c2cccc(Br)c2)CCC1 ZINC000568105153 564405035 /nfs/dbraw/zinc/40/50/35/564405035.db2.gz CPGXKJTZQCIWTE-UHFFFAOYSA-N 1 0 396.329 2.850 20 0 GFADRO CN(Cc1csc(-c2ccc(S(C)(=O)=O)cc2)n1)[C@H]1CCC[NH2+]CC1 ZINC000478533928 564406400 /nfs/dbraw/zinc/40/64/00/564406400.db2.gz AXKCTECHOYRIQL-INIZCTEOSA-N 1 0 379.551 2.788 20 0 GFADRO O=C(NC[C@H]1CCC[N@H+]1CCCO)c1cc2ccc(Br)cc2[nH]1 ZINC000452348273 564406768 /nfs/dbraw/zinc/40/67/68/564406768.db2.gz KUADLOREJVKGRL-CQSZACIVSA-N 1 0 380.286 2.507 20 0 GFADRO O=C(NC[C@@H]1CCC[N@H+]1CCCO)[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000452351596 564407647 /nfs/dbraw/zinc/40/76/47/564407647.db2.gz QGZPKGRNHSKOKE-YESZJQIVSA-N 1 0 381.314 2.516 20 0 GFADRO O=c1cc(C[N@@H+]2CC[C@@H](c3ccncc3)C2)nc2ccc(Br)cn12 ZINC000568177911 564408135 /nfs/dbraw/zinc/40/81/35/564408135.db2.gz BYWOEJUHTZCJHO-CQSZACIVSA-N 1 0 385.265 2.842 20 0 GFADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)c1cccc2cccc(Br)c21 ZINC000512677460 564408563 /nfs/dbraw/zinc/40/85/63/564408563.db2.gz JIBXGYKLPQECPK-CQSZACIVSA-N 1 0 376.298 2.578 20 0 GFADRO CC(C)(C(=O)NC[C@@H]1CCC[N@@H+]1CCCO)c1ccc(Br)cc1 ZINC000452358507 564409340 /nfs/dbraw/zinc/40/93/40/564409340.db2.gz GJSJWFGUFVFJOL-INIZCTEOSA-N 1 0 383.330 2.690 20 0 GFADRO O=C(N[C@@H]1CCC[N@@H+](CCCO)C1)[C@H]1C[C@H]1c1cccc(Br)c1 ZINC000452372867 564410441 /nfs/dbraw/zinc/41/04/41/564410441.db2.gz FAQLJWPIBBZYFB-IKGGRYGDSA-N 1 0 381.314 2.516 20 0 GFADRO CSC1(C[NH2+]C[C@H](O)COc2ccccc2C(F)(F)F)CCOCC1 ZINC000568254673 564411403 /nfs/dbraw/zinc/41/14/03/564411403.db2.gz HQSWKMCNKQXCJT-ZDUSSCGKSA-N 1 0 379.444 2.947 20 0 GFADRO CC(C)Oc1cc(Br)ccc1C(=O)NC[C@@H]1CCCC[N@@H+]1CCO ZINC000452385152 564411921 /nfs/dbraw/zinc/41/19/21/564411921.db2.gz CTKCMUDLVHALQU-HNNXBMFYSA-N 1 0 399.329 2.813 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)c2cccnc2Oc2ccc(Cl)cc2Cl)CCO1 ZINC000478711044 564412577 /nfs/dbraw/zinc/41/25/77/564412577.db2.gz CWPSTOSUFJPGGM-LBPRGKRZSA-N 1 0 382.247 2.980 20 0 GFADRO O=C(CCCOc1ccccc1Br)NC[C@@H]1CCCC[N@H+]1CCO ZINC000452388170 564412987 /nfs/dbraw/zinc/41/29/87/564412987.db2.gz JCDNPWPPTPCBIE-HNNXBMFYSA-N 1 0 399.329 2.571 20 0 GFADRO CS(=O)(=O)N[C@@H]1CCCC[C@H]1C[NH2+]Cc1ccccc1Br ZINC000512869879 564414472 /nfs/dbraw/zinc/41/44/72/564414472.db2.gz YWDZDUVVQBLEMV-DZGCQCFKSA-N 1 0 375.332 2.647 20 0 GFADRO CS(=O)(=O)N[C@H]1CCCC[C@@H]1C[NH2+]Cc1cc(Br)ccc1F ZINC000512868367 564414703 /nfs/dbraw/zinc/41/47/03/564414703.db2.gz BPZOMUFOERNNSW-ABAIWWIYSA-N 1 0 393.322 2.786 20 0 GFADRO CS(=O)(=O)N[C@H]1CCCC[C@H]1C[NH2+]Cc1ccccc1OC(F)(F)F ZINC000512859709 564414723 /nfs/dbraw/zinc/41/47/23/564414723.db2.gz DKVPHRRWFVJITQ-JSGCOSHPSA-N 1 0 380.432 2.783 20 0 GFADRO O=S(=O)(NCCC[NH2+]Cc1ccc2[nH]cnc2c1)c1ccccc1Cl ZINC000545253804 564415020 /nfs/dbraw/zinc/41/50/20/564415020.db2.gz FDCSCIWDVDEATH-UHFFFAOYSA-N 1 0 378.885 2.675 20 0 GFADRO O=S(=O)(NCC[NH2+]Cc1ccc2c[nH]nc2c1)c1cccc(Cl)c1Cl ZINC000512879949 564415357 /nfs/dbraw/zinc/41/53/57/564415357.db2.gz MLFBDPMRUKTHGQ-UHFFFAOYSA-N 1 0 399.303 2.938 20 0 GFADRO COCCN(Cc1sccc1Br)C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000478798452 564415507 /nfs/dbraw/zinc/41/55/07/564415507.db2.gz UJSYCBRDDVCOTE-GFCCVEGCSA-N 1 0 390.347 2.763 20 0 GFADRO CC[N@H+](CCNC(=O)C1(c2cccc(Br)c2)CC(=O)C1)C(C)C ZINC000568358261 564415825 /nfs/dbraw/zinc/41/58/25/564415825.db2.gz MKYXODZVZURTSZ-UHFFFAOYSA-N 1 0 381.314 2.896 20 0 GFADRO O[C@@H](C[NH2+]Cc1sccc1Br)COc1ccc2c(c1)OCO2 ZINC000568382050 564416719 /nfs/dbraw/zinc/41/67/19/564416719.db2.gz LFYDEUBNZMJBFQ-JTQLQIEISA-N 1 0 386.267 2.769 20 0 GFADRO C[NH+](C)CC1(C(=O)Nc2nnc3ccc(Br)cn32)CCCCC1 ZINC000452471227 564417124 /nfs/dbraw/zinc/41/71/24/564417124.db2.gz XFVQSRRIRHDPSG-UHFFFAOYSA-N 1 0 380.290 2.942 20 0 GFADRO CCc1[nH]nc(NC(=O)[C@@H]2C[NH2+]C[C@H]2c2ccc(Cl)cc2)c1Br ZINC000568407731 564417213 /nfs/dbraw/zinc/41/72/13/564417213.db2.gz PBYVPSOZMGXXOY-NWDGAFQWSA-N 1 0 397.704 3.330 20 0 GFADRO [NH3+]CCC1CCN(C(=O)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)CC1 ZINC000568404434 564417524 /nfs/dbraw/zinc/41/75/24/564417524.db2.gz RRTIVQHHJMRIDX-UHFFFAOYSA-N 1 0 377.794 2.885 20 0 GFADRO NC(=O)c1ccc(C[NH2+]Cc2cc(Br)cc(Br)c2)cn1 ZINC000568436753 564419272 /nfs/dbraw/zinc/41/92/72/564419272.db2.gz BSAPGRXSFIBEFC-UHFFFAOYSA-N 1 0 399.086 2.995 20 0 GFADRO C[N@@H+]1CCC[C@@H]1CNC(=O)NCc1cnn(-c2ccc(Br)cc2)c1 ZINC000568470336 564420389 /nfs/dbraw/zinc/42/03/89/564420389.db2.gz GYMIBUHIFDKVEV-MRXNPFEDSA-N 1 0 392.301 2.528 20 0 GFADRO Cc1ccc(Br)c(S(=O)(=O)NCC[NH2+]Cc2ccc(C)nc2)c1 ZINC000513106253 564420636 /nfs/dbraw/zinc/42/06/36/564420636.db2.gz JGDXFSMEQAIHIU-UHFFFAOYSA-N 1 0 398.326 2.529 20 0 GFADRO OC[C@@H]([NH2+]Cc1ncc(-c2cccc(Br)c2)o1)C1CCOCC1 ZINC000568495472 564421147 /nfs/dbraw/zinc/42/11/47/564421147.db2.gz VQLMTWNFYAUAQV-OAHLLOKOSA-N 1 0 381.270 2.981 20 0 GFADRO CCCN1C[C@@H](C[NH2+]C[C@H](O)COc2ccc(Cl)cc2Cl)CC1=O ZINC000568502041 564421309 /nfs/dbraw/zinc/42/13/09/564421309.db2.gz BINSCRGROJSEFK-OCCSQVGLSA-N 1 0 375.296 2.581 20 0 GFADRO COC(=O)c1cc(Cl)ccc1S(=O)(=O)NC[C@H](C)[N@@H+]1CCCC[C@H]1C ZINC000513143463 564421616 /nfs/dbraw/zinc/42/16/16/564421616.db2.gz NLIVZHURIQAAFP-OLZOCXBDSA-N 1 0 388.917 2.668 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2ccc(Cl)cc2C(=O)OC)C[C@H]1C ZINC000513131526 564421942 /nfs/dbraw/zinc/42/19/42/564421942.db2.gz IBSAMRIEELIVIY-OCCSQVGLSA-N 1 0 388.917 2.620 20 0 GFADRO COC(=O)c1cc(Cl)ccc1S(=O)(=O)NC[C@@H](C)[N@@H+]1CCCC[C@H]1C ZINC000513143462 564421963 /nfs/dbraw/zinc/42/19/63/564421963.db2.gz NLIVZHURIQAAFP-CHWSQXEVSA-N 1 0 388.917 2.668 20 0 GFADRO COC(=O)c1cc(Cl)ccc1S(=O)(=O)NCC1([NH+](C)C)CCCCC1 ZINC000513182688 564423608 /nfs/dbraw/zinc/42/36/08/564423608.db2.gz XLZQYMXSJPAQMK-UHFFFAOYSA-N 1 0 388.917 2.669 20 0 GFADRO C[NH+](C)CCOc1ccc(-c2noc(Cn3cc(Br)cn3)n2)cc1 ZINC000545586522 564428915 /nfs/dbraw/zinc/42/89/15/564428915.db2.gz WVYDJFAWNHTJCX-UHFFFAOYSA-N 1 0 392.257 2.684 20 0 GFADRO CC(=O)c1cc(Br)ccc1OCC(=O)N(C)[C@@H]1CCC[N@H+](C)C1 ZINC000513479593 564430388 /nfs/dbraw/zinc/43/03/88/564430388.db2.gz OKDCQJORNYCOJE-CQSZACIVSA-N 1 0 383.286 2.583 20 0 GFADRO O=C(COc1c(Cl)cc(Cl)cc1Cl)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000452796523 564431980 /nfs/dbraw/zinc/43/19/80/564431980.db2.gz NKDKWUJMPZWJBH-LBPRGKRZSA-N 1 0 395.714 2.989 20 0 GFADRO CC(C)(C[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1)C(F)(F)F ZINC000568731067 564432208 /nfs/dbraw/zinc/43/22/08/564432208.db2.gz FMDMVHZKHNHGBW-UHFFFAOYSA-N 1 0 389.237 2.775 20 0 GFADRO CC[NH+](CC)CC[C@H](CO)NC(=O)CCc1cccc(F)c1Br ZINC000568762783 564433124 /nfs/dbraw/zinc/43/31/24/564433124.db2.gz JDPFOLXDKPCOFI-CQSZACIVSA-N 1 0 389.309 2.730 20 0 GFADRO C[C@H](CNC(=O)NCc1cc(Br)cc2c1OCC2)C[NH+]1CCCC1 ZINC000545901067 564436906 /nfs/dbraw/zinc/43/69/06/564436906.db2.gz ONEFNAZUJQYQGN-CYBMUJFWSA-N 1 0 396.329 2.915 20 0 GFADRO CC(C)[NH+]1CCN(C(=O)[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)CC1 ZINC000513736832 564436968 /nfs/dbraw/zinc/43/69/68/564436968.db2.gz MSZDJAZCOCJDKR-CQSZACIVSA-N 1 0 384.307 2.899 20 0 GFADRO CC(=O)N1CCN(CC[NH2+][C@@H]2CCCc3cc(Br)ccc32)CC1 ZINC000479358350 564437050 /nfs/dbraw/zinc/43/70/50/564437050.db2.gz MBSKOUYQPVSWLW-GOSISDBHSA-N 1 0 380.330 2.580 20 0 GFADRO CC(=O)N1CCN(CC[NH2+][C@H]2CCCc3cc(Br)ccc32)CC1 ZINC000479358351 564437093 /nfs/dbraw/zinc/43/70/93/564437093.db2.gz MBSKOUYQPVSWLW-SFHVURJKSA-N 1 0 380.330 2.580 20 0 GFADRO Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)[NH2+]C[C@H](c1ccsc1)N(C)C ZINC000479346674 564437660 /nfs/dbraw/zinc/43/76/60/564437660.db2.gz GLSYRHBDIGZNFH-WMLDXEAASA-N 1 0 381.567 2.966 20 0 GFADRO Cc1cnc(CC[NH2+][C@H](C)c2cc(S(N)(=O)=O)c(Cl)cc2Cl)nc1 ZINC000479390395 564437991 /nfs/dbraw/zinc/43/79/91/564437991.db2.gz LQDGAEXIZAEYFO-SNVBAGLBSA-N 1 0 389.308 2.633 20 0 GFADRO CS(=O)(=O)N1CC[C@@H](C[NH2+][C@H]2CCCc3cc(Br)ccc32)C1 ZINC000479402777 564438876 /nfs/dbraw/zinc/43/88/76/564438876.db2.gz SPCJYHDSHVWDCZ-LRDDRELGSA-N 1 0 387.343 2.698 20 0 GFADRO COC(=O)c1sc2nc(C)nc(NC[C@@]3([NH+](C)C)CCSC3)c2c1C ZINC000479461472 564441547 /nfs/dbraw/zinc/44/15/47/564441547.db2.gz CNMMOMOOHMWENE-KRWDZBQOSA-N 1 0 380.539 2.944 20 0 GFADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)NCC2(C[NH+](C)C)CCCC2)c1 ZINC000546073003 564442852 /nfs/dbraw/zinc/44/28/52/564442852.db2.gz GVXCMXVHJVBPJO-UHFFFAOYSA-N 1 0 388.917 2.527 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[C@]34CCc3cc(Br)ccc34)C[C@@H]21 ZINC000453014679 564443102 /nfs/dbraw/zinc/44/31/02/564443102.db2.gz UQWMZGNNKHQYJD-WKCGWZECSA-N 1 0 375.310 2.816 20 0 GFADRO COCC[C@H](Cc1cccc(Br)c1)C(=O)N[C@H](CC[NH3+])C(F)F ZINC000568999843 564444356 /nfs/dbraw/zinc/44/43/56/564444356.db2.gz VETMQUNFKVAMQV-TZMCWYRMSA-N 1 0 393.272 2.743 20 0 GFADRO O=C1NC2(CCCC2)C(=O)N1CC[NH2+]Cc1ccc(Br)cc1F ZINC000479582365 564444408 /nfs/dbraw/zinc/44/44/08/564444408.db2.gz ULSHEPBLNJKOAE-UHFFFAOYSA-N 1 0 384.249 2.542 20 0 GFADRO O=C(NCCOc1ccc(Br)cc1)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000514048979 564444656 /nfs/dbraw/zinc/44/46/56/564444656.db2.gz HQPLJTGCXPSIRZ-HUUCEWRRSA-N 1 0 382.302 2.754 20 0 GFADRO C[C@H](NC[C@H](O)C[NH+]1CCCC1)c1ccc(F)c(I)c1 ZINC000453083965 564446001 /nfs/dbraw/zinc/44/60/01/564446001.db2.gz GQLDJIBAAQKNQS-AAEUAGOBSA-N 1 0 392.256 2.538 20 0 GFADRO C[C@H](Sc1nnnn1CC[NH+](C)C)c1nnc(-c2cccc(Cl)c2)o1 ZINC000479666605 564447401 /nfs/dbraw/zinc/44/74/01/564447401.db2.gz PWLMMMQSCAMRKO-JTQLQIEISA-N 1 0 379.877 2.791 20 0 GFADRO C[C@@H](CCS(C)(=O)=O)[NH2+][C@@H](C)c1ccc(F)c(I)c1 ZINC000453156568 564448664 /nfs/dbraw/zinc/44/86/64/564448664.db2.gz ZQHYKRSSWFAMIN-UWVGGRQHSA-N 1 0 399.269 2.904 20 0 GFADRO CN(C)C(=O)[C@@H]1CC[C@H](C[NH2+][C@H](Cc2ccccc2Br)C2CC2)O1 ZINC000453159785 564449015 /nfs/dbraw/zinc/44/90/15/564449015.db2.gz FYZYXOMYSDNIMZ-NXHRZFHOSA-N 1 0 395.341 2.996 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCc2ncnn2C1)c1ccc(F)c(I)c1 ZINC000453155082 564449254 /nfs/dbraw/zinc/44/92/54/564449254.db2.gz FBQMDSYEKWWSGM-GXSJLCMTSA-N 1 0 386.212 2.687 20 0 GFADRO COC1([C@H](C)[NH2+]C[C@@H](CO)Cc2ccccc2Br)CCOCC1 ZINC000453200226 564449584 /nfs/dbraw/zinc/44/95/84/564449584.db2.gz AGZVQLYNBWPARA-GJZGRUSLSA-N 1 0 386.330 2.774 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)CCc2ccc(Br)cc2)CC12CCOCC2 ZINC000569119439 564449853 /nfs/dbraw/zinc/44/98/53/564449853.db2.gz NPZWJTFGWOZANC-HNNXBMFYSA-N 1 0 381.314 2.596 20 0 GFADRO O=C(CN1C[C@H]2C[NH2+]C[C@H]2C1)Nc1ccc(Br)c(C(F)(F)F)c1 ZINC000479771953 564450569 /nfs/dbraw/zinc/45/05/69/564450569.db2.gz HVIBCQUNSINXRY-AOOOYVTPSA-N 1 0 392.219 2.558 20 0 GFADRO COCCN(C)S(=O)(=O)[C@@H]1CCC[N@H+](C[C@@H](C)c2cccc(Cl)c2)C1 ZINC000569157311 564451470 /nfs/dbraw/zinc/45/14/70/564451470.db2.gz JIZHWVIZKROELG-CRAIPNDOSA-N 1 0 388.961 2.816 20 0 GFADRO CC[C@@H](CNS(C)(=O)=O)[NH2+][C@H](c1ccc(Br)cc1)C1CC1 ZINC000453272164 564451970 /nfs/dbraw/zinc/45/19/70/564451970.db2.gz AGNNERPNNMAOTG-GJZGRUSLSA-N 1 0 375.332 2.818 20 0 GFADRO Cc1nn(Cc2cccc(Br)c2)c(C)c1C(=O)N[C@@H](C)[C@H](C)[NH3+] ZINC000514672575 564453276 /nfs/dbraw/zinc/45/32/76/564453276.db2.gz RXECLMGZQBBNME-QWRGUYRKSA-N 1 0 379.302 2.776 20 0 GFADRO CC[C@@H](CNS(C)(=O)=O)[NH2+][C@H](c1ccc(Br)cc1F)C1CC1 ZINC000453296447 564453324 /nfs/dbraw/zinc/45/33/24/564453324.db2.gz YPOVXFSTASTIAS-WFASDCNBSA-N 1 0 393.322 2.957 20 0 GFADRO Brc1ccc(-c2cnc(CN3CC[C@@H](N4CC[NH2+]CC4)C3)o2)cc1 ZINC000514676708 564453937 /nfs/dbraw/zinc/45/39/37/564453937.db2.gz ZYWDUCHJLDQOSV-MRXNPFEDSA-N 1 0 391.313 2.584 20 0 GFADRO COc1ccc(Br)cc1C[C@@H](CO)C[NH2+][C@@H](C)c1nccn1C ZINC000453349842 564454180 /nfs/dbraw/zinc/45/41/80/564454180.db2.gz GPCHGUIQPPUWNL-QWHCGFSZSA-N 1 0 382.302 2.693 20 0 GFADRO CC[C@H](C[C@H](C)CO)[NH2+]CCS(=O)(=O)c1cccc(Br)c1 ZINC000569222908 564454339 /nfs/dbraw/zinc/45/43/39/564454339.db2.gz QTDNGPGEBHOPIB-GXTWGEPZSA-N 1 0 378.332 2.610 20 0 GFADRO C[C@H](Cc1cnn(C)c1)[NH2+][C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000453360904 564454916 /nfs/dbraw/zinc/45/49/16/564454916.db2.gz UAGGECYPPAQVMC-ABAIWWIYSA-N 1 0 398.326 2.622 20 0 GFADRO C[C@@H]([NH2+][C@@H]1CC[C@H](C(N)=O)C1)c1ccc(F)c(I)c1 ZINC000453363241 564455030 /nfs/dbraw/zinc/45/50/30/564455030.db2.gz MLUPFXZYDFLNOR-DVVUODLYSA-N 1 0 376.213 2.735 20 0 GFADRO Cc1cc(OCC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)ccc1Br ZINC000479931787 564455247 /nfs/dbraw/zinc/45/52/47/564455247.db2.gz MQSDXKHWWVEPEP-INIZCTEOSA-N 1 0 399.329 2.609 20 0 GFADRO O=C(NCCc1cc(Br)ccc1F)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000514783878 564457073 /nfs/dbraw/zinc/45/70/73/564457073.db2.gz LYIVOGZERYBNHK-UMVBOHGHSA-N 1 0 384.293 2.818 20 0 GFADRO CC[NH+](CC)CCCNC(=O)C(=O)Nc1cc(Cl)cc(Br)c1 ZINC000453566489 564458179 /nfs/dbraw/zinc/45/81/79/564458179.db2.gz SGQJDHKIOJTNKF-UHFFFAOYSA-N 1 0 390.709 2.889 20 0 GFADRO Cc1cc(Br)c(C[NH2+]CCN2C(=O)NC3(CCCC3)C2=O)s1 ZINC000453574436 564458656 /nfs/dbraw/zinc/45/86/56/564458656.db2.gz QXAMTBHOYRUKAX-UHFFFAOYSA-N 1 0 386.315 2.773 20 0 GFADRO Cc1csc(Sc2ccc(NC(=O)NC[C@@]3(O)CC[N@@H+](C)C3)cc2)n1 ZINC000546570862 564459619 /nfs/dbraw/zinc/45/96/19/564459619.db2.gz AZNLKWPZLBPISG-KRWDZBQOSA-N 1 0 378.523 2.791 20 0 GFADRO Cc1cc(Cl)cc(NC(=O)C(=O)N2CC[C@H]([NH+](C)C)C2)c1Br ZINC000453633022 564460677 /nfs/dbraw/zinc/46/06/77/564460677.db2.gz ILUGAZHEVPHOIM-NSHDSACASA-N 1 0 388.693 2.512 20 0 GFADRO Cc1nn(Cc2cccc(Br)c2)c(C)c1C(=O)N(C)CC[NH+](C)C ZINC000480092216 564460651 /nfs/dbraw/zinc/46/06/51/564460651.db2.gz LRJGMVOATBWIGH-UHFFFAOYSA-N 1 0 393.329 2.944 20 0 GFADRO CCc1ccc(NC(=O)C(=O)NCC2(SC)CC[NH+](C)CC2)cc1Cl ZINC000514896040 564461004 /nfs/dbraw/zinc/46/10/04/564461004.db2.gz WURQLLAVFGZZGZ-UHFFFAOYSA-N 1 0 383.945 2.785 20 0 GFADRO Cc1cc(Br)cn2c(C[NH2+][C@H]3C[C@@H]4CCCCN4C3=O)cnc12 ZINC000453641778 564461207 /nfs/dbraw/zinc/46/12/07/564461207.db2.gz YMEZISAYYQVUGZ-ZFWWWQNUSA-N 1 0 377.286 2.648 20 0 GFADRO C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+][C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000480173087 564462112 /nfs/dbraw/zinc/46/21/12/564462112.db2.gz VCXFWSNOSJMNNJ-RLCCDNCMSA-N 1 0 399.354 2.740 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2cc(Cl)cc(Br)c2)CC[N@@H+]1C ZINC000453663106 564462703 /nfs/dbraw/zinc/46/27/03/564462703.db2.gz TWGASQABQINONX-SKDRFNHKSA-N 1 0 388.693 2.640 20 0 GFADRO O=C(NC[C@H]1CCC[NH2+]1)NCC1(c2cccc(Br)c2)CCOCC1 ZINC000514923488 564462860 /nfs/dbraw/zinc/46/28/60/564462860.db2.gz BPUATXPQVBJCLW-MRXNPFEDSA-N 1 0 396.329 2.549 20 0 GFADRO O=C(NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)N1CCc2sc(Cl)cc2C1 ZINC000514934819 564463159 /nfs/dbraw/zinc/46/31/59/564463159.db2.gz ORQQHVGBYFGOGO-GJZGRUSLSA-N 1 0 383.945 2.847 20 0 GFADRO CC(C)(CCO)C[NH2+][C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000480195632 564463409 /nfs/dbraw/zinc/46/34/09/564463409.db2.gz CQZFAGIXZZAJDK-CYBMUJFWSA-N 1 0 376.316 2.666 20 0 GFADRO CSc1ccc(OC[C@H](O)C[NH2+]Cc2cnn(CC(F)(F)F)c2)cc1 ZINC000569476190 564465619 /nfs/dbraw/zinc/46/56/19/564465619.db2.gz QKQRKGYWDNJYDG-CYBMUJFWSA-N 1 0 375.416 2.697 20 0 GFADRO C[NH+](C)[C@@]1(CNC(=O)COc2ccc(Cl)c3cccnc23)CCSC1 ZINC000480252835 564466047 /nfs/dbraw/zinc/46/60/47/564466047.db2.gz FRSLUGDJTJXEIU-GOSISDBHSA-N 1 0 379.913 2.821 20 0 GFADRO O=C(CCOC1C[NH2+]C1)N1CCC(OCc2ccc(Cl)c(Cl)c2)CC1 ZINC000515058219 564467628 /nfs/dbraw/zinc/46/76/28/564467628.db2.gz NQWUGCQVNPVPDG-UHFFFAOYSA-N 1 0 387.307 2.880 20 0 GFADRO CC(=O)NCCN(C)CC(=O)Nc1nc(-c2ccc(Cl)cc2)c(C)s1 ZINC000569601259 564470472 /nfs/dbraw/zinc/47/04/72/564470472.db2.gz XMVGGZOVNQWRGT-UHFFFAOYSA-N 1 0 380.901 2.778 20 0 GFADRO Cc1cc(Br)cn2cc(CNC(=O)N3CC[N@@H+](C)CC[C@@H]3C)nc12 ZINC000546824551 564470664 /nfs/dbraw/zinc/47/06/64/564470664.db2.gz AYDNMOVETBBMBT-ZDUSSCGKSA-N 1 0 394.317 2.641 20 0 GFADRO [NH3+]C[C@H]1CCCN(C(=O)C(=O)N(Cc2ccc(Cl)c(Cl)c2)C2CC2)C1 ZINC000515233065 564472952 /nfs/dbraw/zinc/47/29/52/564472952.db2.gz HHOVBQQIUGWGPA-CYBMUJFWSA-N 1 0 384.307 2.682 20 0 GFADRO O=C(N[C@H](c1cccs1)c1ccc(Cl)cc1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000480502289 564475994 /nfs/dbraw/zinc/47/59/94/564475994.db2.gz XRMKWQAVMUVDTO-AEFFLSMTSA-N 1 0 375.925 2.997 20 0 GFADRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccccc1-n1cc(Br)cn1 ZINC000515365558 564476652 /nfs/dbraw/zinc/47/66/52/564476652.db2.gz AJADDUMLJKQRJE-RDJZCZTQSA-N 1 0 389.297 2.991 20 0 GFADRO O=C(c1ccccc1I)N1CC[NH+](CCC2CC2)CC1 ZINC000480527498 564476925 /nfs/dbraw/zinc/47/69/25/564476925.db2.gz XMBZSVMMDRRWJW-UHFFFAOYSA-N 1 0 384.261 2.849 20 0 GFADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(Br)c2c1OCCC2 ZINC000515450947 564479023 /nfs/dbraw/zinc/47/90/23/564479023.db2.gz RQJWNCLDKMFQDH-ZDUSSCGKSA-N 1 0 397.313 2.615 20 0 GFADRO CC[N@@H+]1CCCC[C@H]1CNS(=O)(=O)c1ccc(OC)cc1Br ZINC000480644004 564480965 /nfs/dbraw/zinc/48/09/65/564480965.db2.gz NLNALZUUCXJLBD-LBPRGKRZSA-N 1 0 391.331 2.610 20 0 GFADRO [NH3+][C@@H](C(=O)N1CCN(Cc2ccc(Br)cc2)CC1)c1ccccc1 ZINC000569851957 564481352 /nfs/dbraw/zinc/48/13/52/564481352.db2.gz NHOJJTACPPRHOG-GOSISDBHSA-N 1 0 388.309 2.793 20 0 GFADRO O=S1(=O)CC[C@@H]([NH2+]CC2(CO)CCCC2)c2cc(Br)ccc21 ZINC000480695144 564482311 /nfs/dbraw/zinc/48/23/11/564482311.db2.gz PDBSXLTUKTYZHF-CQSZACIVSA-N 1 0 388.327 2.810 20 0 GFADRO O=C(NC[C@H]1C[NH2+]CCO1)N1CCCC[C@H]1Cc1cccc(Br)c1 ZINC000569957103 564485691 /nfs/dbraw/zinc/48/56/91/564485691.db2.gz HKTPDLICILGJSZ-DLBZAZTESA-N 1 0 396.329 2.544 20 0 GFADRO O=S1(=O)CCC(O)(C[NH2+]CC2(c3ccc(Cl)cc3Cl)CCC2)CC1 ZINC000569960200 564485884 /nfs/dbraw/zinc/48/58/84/564485884.db2.gz DEIGUJKMNPTVAP-UHFFFAOYSA-N 1 0 392.348 2.944 20 0 GFADRO CCCC[N@H+](C)C[C@@H](C)NC(=O)NCC(=O)Nc1cccc(Br)c1 ZINC000515931790 564490326 /nfs/dbraw/zinc/49/03/26/564490326.db2.gz AGCZAWYWRZRBSX-CYBMUJFWSA-N 1 0 399.333 2.807 20 0 GFADRO Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000516117881 564494231 /nfs/dbraw/zinc/49/42/31/564494231.db2.gz ONMYHBGDEUVDFF-STQMWFEESA-N 1 0 384.263 2.704 20 0 GFADRO CC1(C)[C@H]([NH2+]C[C@H](O)COc2cc(F)cc(Br)c2)[C@@H]2CCO[C@@H]21 ZINC000516148285 564494877 /nfs/dbraw/zinc/49/48/77/564494877.db2.gz DJECJGONHZPPPY-HNKHHVNMSA-N 1 0 388.277 2.731 20 0 GFADRO COC[C@]1(CNC(=O)N2CC[C@H](c3cccc(Br)c3)C2)CCC[NH2+]1 ZINC000570188350 564495384 /nfs/dbraw/zinc/49/53/84/564495384.db2.gz CYOAUVMPDOFTNY-MAUKXSAKSA-N 1 0 396.329 2.717 20 0 GFADRO COC(=O)c1csc(S(=O)(=O)N[C@H](C)[C@@H](c2ccccc2)[NH+](C)C)c1 ZINC000480936081 564496725 /nfs/dbraw/zinc/49/67/25/564496725.db2.gz UZTIWCFIGCHZMH-WBMJQRKESA-N 1 0 382.507 2.504 20 0 GFADRO CC(C)[NH2+]CCCNC(=O)C(=O)N[C@@H](C)c1cc(F)c(Cl)cc1Cl ZINC000516263468 564497641 /nfs/dbraw/zinc/49/76/41/564497641.db2.gz SBCLMFTUJPQHEI-JTQLQIEISA-N 1 0 378.275 2.814 20 0 GFADRO O=C(Nc1nc(SCc2ccccc2)ns1)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000570262272 564497909 /nfs/dbraw/zinc/49/79/09/564497909.db2.gz DNVMNKFDZNPULM-KGLIPLIRSA-N 1 0 375.523 2.904 20 0 GFADRO C[C@@H]1CCN(C(=O)N[C@H](c2cncc(Br)c2)C2CC2)C[C@H]1C[NH3+] ZINC000570307134 564501084 /nfs/dbraw/zinc/50/10/84/564501084.db2.gz GYGFWEGALWFRCM-XFJVYGCCSA-N 1 0 381.318 2.922 20 0 GFADRO O=C(NC[C@@H]1CCCC[N@H+]1CCO)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000454216598 564502943 /nfs/dbraw/zinc/50/29/43/564502943.db2.gz RHFICCAAPALFLT-LBPRGKRZSA-N 1 0 377.819 2.910 20 0 GFADRO COc1nc(C)c(Br)cc1C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000547625029 564503958 /nfs/dbraw/zinc/50/39/58/564503958.db2.gz POGJCYKDJWXFOD-GFCCVEGCSA-N 1 0 382.302 2.908 20 0 GFADRO Cc1cc(NC(=O)CN[C@@H](C)c2ncc(Br)cn2)n(C(C)(C)C)n1 ZINC000516530333 564504558 /nfs/dbraw/zinc/50/45/58/564504558.db2.gz LYJWTRLESZLVJL-NSHDSACASA-N 1 0 395.305 2.788 20 0 GFADRO CC(=O)N[C@H](C)C1CC[NH+](C[C@@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000481149454 564505060 /nfs/dbraw/zinc/50/50/60/564505060.db2.gz PCTAWEVMIVBQMG-IUODEOHRSA-N 1 0 389.323 2.970 20 0 GFADRO O=C(N[C@H]1CCOc2c(Br)cccc21)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000570427974 564505297 /nfs/dbraw/zinc/50/52/97/564505297.db2.gz KUNVUVPOCYTQIH-ZENOOKHLSA-N 1 0 394.313 2.914 20 0 GFADRO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(I)cn1 ZINC000454336377 564506705 /nfs/dbraw/zinc/50/67/05/564506705.db2.gz MMCXFBMRNKZWJC-LBPRGKRZSA-N 1 0 387.265 2.681 20 0 GFADRO C[NH+](C)[C@]1(CNC(=O)NCc2ccc(OC(F)(F)F)cc2)CCSC1 ZINC000481270381 564508236 /nfs/dbraw/zinc/50/82/36/564508236.db2.gz VKSDZWSTBRTSKK-HNNXBMFYSA-N 1 0 377.432 2.822 20 0 GFADRO O=C1[C@H]([NH2+]C[C@@H](O)COCc2cccs2)CCN1c1ccc(Cl)cc1 ZINC000570508798 564509011 /nfs/dbraw/zinc/50/90/11/564509011.db2.gz LPVDTCWPOFEOCP-NVXWUHKLSA-N 1 0 380.897 2.674 20 0 GFADRO O=S1(=O)CC[C@H]([NH2+][C@@H]2CCO[C@H]2C2CC2)c2cc(Br)ccc21 ZINC000547827874 564512236 /nfs/dbraw/zinc/51/22/36/564512236.db2.gz UNIICDIAIGEDKY-LZWOXQAQSA-N 1 0 386.311 2.825 20 0 GFADRO O=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)c1cc(Br)c2c(c1)OCCO2 ZINC000570616649 564514147 /nfs/dbraw/zinc/51/41/47/564514147.db2.gz PIRFZBIXRWLALU-AWEZNQCLSA-N 1 0 395.297 2.967 20 0 GFADRO Cc1oc(-c2ccc(Cl)c(Cl)c2)nc1C(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000516861859 564514297 /nfs/dbraw/zinc/51/42/97/564514297.db2.gz QPACEOVNTPFROW-LBPRGKRZSA-N 1 0 383.279 2.590 20 0 GFADRO O=C(NCc1nc2c(cccc2Br)[nH]1)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000516911631 564515925 /nfs/dbraw/zinc/51/59/25/564515925.db2.gz UJZGTZNDDOUAHL-TZMCWYRMSA-N 1 0 392.301 2.751 20 0 GFADRO CC(=O)N1CCC(C[NH2+]C[C@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000570675672 564516237 /nfs/dbraw/zinc/51/62/37/564516237.db2.gz QYXLUUNBPLXBCV-HNNXBMFYSA-N 1 0 375.296 2.581 20 0 GFADRO [NH3+][C@@H]1CCCO[C@H]1C1CCN(Cc2cc3c(c(Br)c2)OCO3)CC1 ZINC000570692431 564516928 /nfs/dbraw/zinc/51/69/28/564516928.db2.gz GMKVIMGPGZAMHC-WBVHZDCISA-N 1 0 397.313 2.896 20 0 GFADRO CC(C)[C@H](O)CC[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000516927588 564517052 /nfs/dbraw/zinc/51/70/52/564517052.db2.gz RKVNPXWPDGNVBA-TZMCWYRMSA-N 1 0 380.710 2.839 20 0 GFADRO COCC[NH2+]C1CCN(C(=O)NCc2cccc(C)c2Br)CC1 ZINC000570689894 564517036 /nfs/dbraw/zinc/51/70/36/564517036.db2.gz ZGISFLMARSOBIM-UHFFFAOYSA-N 1 0 384.318 2.668 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(C(=O)NCCc3cc(Cl)ccc3Br)C[C@@H]21 ZINC000454684277 564518934 /nfs/dbraw/zinc/51/89/34/564518934.db2.gz CIERECQAEPSQDT-DOMZBBRYSA-N 1 0 386.721 2.991 20 0 GFADRO CC[C@@H]([NH2+][C@@H](CO)CC(F)(F)F)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000481670136 564518981 /nfs/dbraw/zinc/51/89/81/564518981.db2.gz WEPADTUDLCVAHB-ZYHUDNBSSA-N 1 0 388.839 2.602 20 0 GFADRO C[C@H](CNC(=O)c1ccc(I)cn1)[N@@H+]1CCCC[C@H]1C ZINC000454709498 564519955 /nfs/dbraw/zinc/51/99/55/564519955.db2.gz IAGUJGKNMOYVJG-VXGBXAGGSA-N 1 0 387.265 2.679 20 0 GFADRO C[C@@H](NC(=O)NCC(C)(C)[NH+]1CCCCC1)c1ncc(Br)cn1 ZINC000517007341 564520786 /nfs/dbraw/zinc/52/07/86/564520786.db2.gz IGZAAJMWDOBVPR-GFCCVEGCSA-N 1 0 384.322 2.864 20 0 GFADRO CCS(=O)(=O)NCCC[NH2+][C@@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000481752850 564521862 /nfs/dbraw/zinc/52/18/62/564521862.db2.gz UJTWNDDHYLTQPX-OAHLLOKOSA-N 1 0 393.322 2.958 20 0 GFADRO COc1cc(S(=O)(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)ccc1Cl ZINC000570816876 564523158 /nfs/dbraw/zinc/52/31/58/564523158.db2.gz WRMPZJCQCBBAGA-XJKSGUPXSA-N 1 0 384.860 2.603 20 0 GFADRO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)NCC1(c2c(Cl)cccc2Cl)CCC1 ZINC000517145993 564525571 /nfs/dbraw/zinc/52/55/71/564525571.db2.gz UYERYGDTIRVOSZ-NWDGAFQWSA-N 1 0 386.323 2.773 20 0 GFADRO CC[C@H](N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000481920327 564528147 /nfs/dbraw/zinc/52/81/47/564528147.db2.gz UWMHDOCAZUDFJU-ULQDDVLXSA-N 1 0 385.961 2.916 20 0 GFADRO CC[NH+](CC)C[C@H](C)Nc1cnn(-c2ccccn2)c(=O)c1Br ZINC000517248251 564528801 /nfs/dbraw/zinc/52/88/01/564528801.db2.gz DSMATBKGFGVIBD-LBPRGKRZSA-N 1 0 380.290 2.532 20 0 GFADRO Cc1cc(Br)c2c(c1)CN(C(=O)NCC[N@@H+]1CCCOCC1)CC2 ZINC000455002897 564532041 /nfs/dbraw/zinc/53/20/41/564532041.db2.gz PVSOZVWBHOUUMU-UHFFFAOYSA-N 1 0 396.329 2.548 20 0 GFADRO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(c2ccncc2Br)CC1 ZINC000548153776 564533128 /nfs/dbraw/zinc/53/31/28/564533128.db2.gz TYARVDZUSDISDU-UHFFFAOYSA-N 1 0 397.361 2.765 20 0 GFADRO C[C@@H](CCNC(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1)[S@](C)=O ZINC000482098647 564534340 /nfs/dbraw/zinc/53/43/40/564534340.db2.gz LJSITQDWCDRPRA-RVFQGNMQSA-N 1 0 385.599 2.977 20 0 GFADRO Cc1cc(Br)cc(C)c1S(=O)(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000517707848 564540289 /nfs/dbraw/zinc/54/02/89/564540289.db2.gz UCKCHXQARUHVHM-OAHLLOKOSA-N 1 0 387.343 2.923 20 0 GFADRO O=C(C[C@H]1CSCC[NH2+]1)Nc1cnn(-c2ccccc2Br)c1 ZINC000517732254 564541544 /nfs/dbraw/zinc/54/15/44/564541544.db2.gz WWSRTOLDOPOAJV-NSHDSACASA-N 1 0 381.299 2.668 20 0 GFADRO Cc1cc(C)c(NC(=O)N2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)cc1Br ZINC000455198230 564541752 /nfs/dbraw/zinc/54/17/52/564541752.db2.gz URIYWSHQKAXBMP-OKILXGFUSA-N 1 0 384.318 2.985 20 0 GFADRO O[C@H](C[NH2+][C@@H]1CCN(c2ncccc2Cl)C1)COc1ccccc1Cl ZINC000571277260 564543490 /nfs/dbraw/zinc/54/34/90/564543490.db2.gz DQLUGAOCLFBCSU-ZIAGYGMSSA-N 1 0 382.291 2.997 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)c2ccccc2-n2cc(Br)cn2)C[N@@H+]1C1CC1 ZINC000571273498 564543558 /nfs/dbraw/zinc/54/35/58/564543558.db2.gz RCPAXOUJSQHJKW-OCCSQVGLSA-N 1 0 389.297 2.990 20 0 GFADRO Cc1ccc(-c2nc(NC(=O)C(=O)NCC[NH2+]C(C)(C)C)sc2C)s1 ZINC000517946211 564544028 /nfs/dbraw/zinc/54/40/28/564544028.db2.gz YEECCFOFMYJQST-UHFFFAOYSA-N 1 0 380.539 2.931 20 0 GFADRO Cc1[nH]c(=O)sc1S(=O)(=O)NCC[NH2+]C[C@H](C)CC1CCCCC1 ZINC000482508846 564544282 /nfs/dbraw/zinc/54/42/82/564544282.db2.gz JQQIARBLDAIVHE-GFCCVEGCSA-N 1 0 375.560 2.632 20 0 GFADRO C[C@@H](NC(=O)NC[C@@H](c1ccsc1)[NH+](C)C)c1ncc(Br)cn1 ZINC000571311449 564545753 /nfs/dbraw/zinc/54/57/53/564545753.db2.gz JZKYTRJWSPZYRT-MFKMUULPSA-N 1 0 398.330 2.964 20 0 GFADRO C[C@H](NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1cc(Br)ccc1F ZINC000482549093 564545925 /nfs/dbraw/zinc/54/59/25/564545925.db2.gz CQXOFMBEFSOWDT-STQMWFEESA-N 1 0 386.309 2.826 20 0 GFADRO O=C(Nc1cc2c(cc1Br)CCC2)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000455286492 564547302 /nfs/dbraw/zinc/54/73/02/564547302.db2.gz UKRRAUGRJDXIOP-HNNXBMFYSA-N 1 0 396.329 2.906 20 0 GFADRO COCC[N@H+](C)C[C@@H](O)CN1CCC[C@@H]1c1ccc(Br)c(F)c1 ZINC000518210995 564548621 /nfs/dbraw/zinc/54/86/21/564548621.db2.gz AXMLEFKJGQNQAK-RHSMWYFYSA-N 1 0 389.309 2.664 20 0 GFADRO Cc1ccc(NC(=O)C[NH2+][C@H](C2CC2)[C@]2(CO)CCCO2)c(Br)c1 ZINC000518405636 564553420 /nfs/dbraw/zinc/55/34/20/564553420.db2.gz JMPUMHWXGRHVJX-QZTJIDSGSA-N 1 0 397.313 2.606 20 0 GFADRO C[C@@]1(CNC(=O)[C@@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)CCC[NH2+]C1 ZINC000518532074 564556390 /nfs/dbraw/zinc/55/63/90/564556390.db2.gz SNEMRDKQOKAGCE-SCLBCKFNSA-N 1 0 384.307 2.852 20 0 GFADRO CS(=O)(=O)[C@@H]1CCC[C@@H]([NH2+]C[C@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000571552184 564556627 /nfs/dbraw/zinc/55/66/27/564556627.db2.gz QDBOMILBRTVKQK-FRRDWIJNSA-N 1 0 396.336 2.679 20 0 GFADRO Cc1csc(C(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)c1I ZINC000571558354 564557301 /nfs/dbraw/zinc/55/73/01/564557301.db2.gz VZFUXOQBVRGIHQ-ZJUUUORDSA-N 1 0 378.279 2.861 20 0 GFADRO CN(Cc1ccc(Cl)s1)C(=O)C[N@H+](C)[C@@H](CC(N)=O)c1ccccc1 ZINC000483098095 564558952 /nfs/dbraw/zinc/55/89/52/564558952.db2.gz AZTQFIKDXLCORO-HNNXBMFYSA-N 1 0 379.913 2.908 20 0 GFADRO CN(C)[C@@]1(C[NH2+]C[C@H](O)COc2c(Cl)cccc2Cl)CCSC1 ZINC000571634143 564559847 /nfs/dbraw/zinc/55/98/47/564559847.db2.gz JMKHTLFXBQABTE-BLLLJJGKSA-N 1 0 379.353 2.760 20 0 GFADRO Cc1ccc(C[N@H+](CCO)C[C@@H](O)COc2ccc(Br)cc2)o1 ZINC000483205858 564561238 /nfs/dbraw/zinc/56/12/38/564561238.db2.gz VXKDVCLFZYEEIY-OAHLLOKOSA-N 1 0 384.270 2.585 20 0 GFADRO O=C(Nc1ccc(Br)c(C2CC2)n1)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000455628251 564561348 /nfs/dbraw/zinc/56/13/48/564561348.db2.gz RIHPLLZUTDYMHJ-ZDUSSCGKSA-N 1 0 397.317 2.690 20 0 GFADRO Cn1cc(NC(=O)NCC[NH2+]C2CCCCCC2)cc(Br)c1=O ZINC000571742762 564564381 /nfs/dbraw/zinc/56/43/81/564564381.db2.gz DOWMTVGXYXETLA-UHFFFAOYSA-N 1 0 385.306 2.582 20 0 GFADRO C[C@H](NC(=O)N(CC[NH+](C)C)C1CCCC1)c1ncc(Br)cn1 ZINC000571759822 564565621 /nfs/dbraw/zinc/56/56/21/564565621.db2.gz GMPOHNJGQCSNIG-LBPRGKRZSA-N 1 0 384.322 2.816 20 0 GFADRO C[NH+](C)CC[C@H](NC(=O)c1ccc(I)cn1)C(C)(C)C ZINC000455696866 564565953 /nfs/dbraw/zinc/56/59/53/564565953.db2.gz IMECKPXVZCKNDM-ZDUSSCGKSA-N 1 0 389.281 2.782 20 0 GFADRO CC(C)[N@H+](CCCN1C(=O)CNC1=O)Cc1cc(Br)ccc1F ZINC000519192520 564570958 /nfs/dbraw/zinc/57/09/58/564570958.db2.gz IEBWYAFQGKMLMS-UHFFFAOYSA-N 1 0 386.265 2.741 20 0 GFADRO CC[NH+](CC)CCN(CCOC)C(=O)Nc1cc(Br)cnc1C ZINC000455803429 564571060 /nfs/dbraw/zinc/57/10/60/564571060.db2.gz OMGKWBNMWAKJGF-UHFFFAOYSA-N 1 0 387.322 2.975 20 0 GFADRO O=S(=O)(NC[C@@H]1CCCN(Cc2cnc(-c3ccco3)s2)C1)C1CC1 ZINC000519231520 564572491 /nfs/dbraw/zinc/57/24/91/564572491.db2.gz CPCSLZHQBGPCOM-ZDUSSCGKSA-N 1 0 381.523 2.697 20 0 GFADRO C[C@@H](NC(=O)CN1CC[C@]2(C1)CCC[NH2+]C2)c1ccc(Br)cc1 ZINC000571921295 564572758 /nfs/dbraw/zinc/57/27/58/564572758.db2.gz KJIYVDFBVMTVGB-RDTXWAMCSA-N 1 0 380.330 2.702 20 0 GFADRO C[C@@H](NC(=O)CN1CC[C@@]2(C1)CCC[NH2+]C2)c1ccc(Br)cc1 ZINC000571921293 564572798 /nfs/dbraw/zinc/57/27/98/564572798.db2.gz KJIYVDFBVMTVGB-KDOFPFPSSA-N 1 0 380.330 2.702 20 0 GFADRO O=C(NCC1([NH+]2CCSCC2)CCCC1)N[C@@H]1CCC[C@H]1OC(F)F ZINC000548775818 564574983 /nfs/dbraw/zinc/57/49/83/564574983.db2.gz LMHBVOLWBHOZJC-ZIAGYGMSSA-N 1 0 377.501 2.808 20 0 GFADRO C[C@H](CNC(=O)Nc1cc(N(C)C)c(Br)cn1)C[NH+]1CCCC1 ZINC000455858333 564575764 /nfs/dbraw/zinc/57/57/64/564575764.db2.gz BFVILQBLODYTHX-GFCCVEGCSA-N 1 0 384.322 2.764 20 0 GFADRO O=C(c1cc(Br)c2c(c1)OCCO2)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000519375308 564576114 /nfs/dbraw/zinc/57/61/14/564576114.db2.gz KPFCMVBYVZIQLI-AWEZNQCLSA-N 1 0 395.297 2.921 20 0 GFADRO CC[N@H+](CCNC(=O)C(=O)Nc1cc2sc(C)nc2cc1Cl)C1CC1 ZINC000483946176 564578318 /nfs/dbraw/zinc/57/83/18/564578318.db2.gz VMPPOWUOZKBDJA-UHFFFAOYSA-N 1 0 380.901 2.797 20 0 GFADRO Cc1nc2cc(Cl)c(NC(=O)C(=O)N[C@H]3CCC[N@H+](C)[C@@H]3C)cc2s1 ZINC000483962875 564578949 /nfs/dbraw/zinc/57/89/49/564578949.db2.gz RTTRFBFKEBKHBY-SKDRFNHKSA-N 1 0 380.901 2.796 20 0 GFADRO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@@H]1CC(=O)N2CCCC[C@@H]12 ZINC000548880138 564579506 /nfs/dbraw/zinc/57/95/06/564579506.db2.gz RNGRWWKYKFONOC-WQVCFCJDSA-N 1 0 394.313 2.909 20 0 GFADRO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@H]1CC(=O)N2CCCC[C@H]12 ZINC000548880137 564579589 /nfs/dbraw/zinc/57/95/89/564579589.db2.gz RNGRWWKYKFONOC-UHOFOFEASA-N 1 0 394.313 2.909 20 0 GFADRO O=C(NC[C@@H]1C[NH2+]CCCO1)Nc1cc(Br)cc(C(F)(F)F)c1 ZINC000519528602 564579851 /nfs/dbraw/zinc/57/98/51/564579851.db2.gz KQFLZHRHGUVFLI-LBPRGKRZSA-N 1 0 396.207 2.968 20 0 GFADRO COc1cc(I)ccc1NC(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000519528281 564580014 /nfs/dbraw/zinc/58/00/14/564580014.db2.gz GCBWSFWSIBWKCX-JTQLQIEISA-N 1 0 389.237 2.502 20 0 GFADRO CC(C)[NH+]1CCN(C(=O)NC[C@@H](C)Oc2ccccc2Br)CC1 ZINC000483993845 564580304 /nfs/dbraw/zinc/58/03/04/564580304.db2.gz LYHHBVNFEOUSHC-CQSZACIVSA-N 1 0 384.318 2.952 20 0 GFADRO Cc1cc(C(=O)N2CC[C@H]([C@@H](C)[NH3+])C2)nn1-c1ccc(Br)cc1 ZINC000484133603 564582492 /nfs/dbraw/zinc/58/24/92/564582492.db2.gz NRVSGKBGHVUJQB-OLZOCXBDSA-N 1 0 377.286 2.753 20 0 GFADRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000455978880 564582921 /nfs/dbraw/zinc/58/29/21/564582921.db2.gz ASZMNKOAWNSSEC-IXDOHACOSA-N 1 0 381.314 2.516 20 0 GFADRO CC(C)[NH2+]CCCNC(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1 ZINC000572159348 564583362 /nfs/dbraw/zinc/58/33/62/564583362.db2.gz HZYNPIBUFPJVFD-UHFFFAOYSA-N 1 0 386.945 2.931 20 0 GFADRO COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000484239318 564584303 /nfs/dbraw/zinc/58/43/03/564584303.db2.gz BBYQJZAWOBQCRE-LLVKDONJSA-N 1 0 386.279 2.636 20 0 GFADRO COCC[C@@]1([NH2+]CC(=O)N[C@H](C)c2ccc(Cl)cc2Cl)CCOC1 ZINC000572231062 564586187 /nfs/dbraw/zinc/58/61/87/564586187.db2.gz IPBMFZUNNQQGPP-SJKOYZFVSA-N 1 0 375.296 2.956 20 0 GFADRO C/C(=C/c1cccc(C(F)(F)F)c1)C[NH2+]CCNS(=O)(=O)NC(C)C ZINC000572277952 564587587 /nfs/dbraw/zinc/58/75/87/564587587.db2.gz DHIVDVQLFLVBPL-LCYFTJDESA-N 1 0 379.448 2.531 20 0 GFADRO C[C@@H](NC(=O)N[C@@H](C)C[NH+](C)C)c1cc2c(cc1Br)OCCO2 ZINC000484368974 564587595 /nfs/dbraw/zinc/58/75/95/564587595.db2.gz GAASIVQMBRHHTE-WDEREUQCSA-N 1 0 386.290 2.531 20 0 GFADRO C/C(=C\c1cccc(C(F)(F)F)c1)C[NH2+]CCNS(=O)(=O)NC(C)C ZINC000572277953 564587980 /nfs/dbraw/zinc/58/79/80/564587980.db2.gz DHIVDVQLFLVBPL-UKTHLTGXSA-N 1 0 379.448 2.531 20 0 GFADRO CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)[C@]12C[C@H]1CC[NH2+]2 ZINC000519697890 564588009 /nfs/dbraw/zinc/58/80/09/564588009.db2.gz HFHKOTXPOMWPSG-PSLIRLAXSA-N 1 0 375.778 2.508 20 0 GFADRO CCCC[N@H+](C)C[C@@H](C)NC(=O)C(=O)Nc1cc(C)ccc1Br ZINC000572294399 564589057 /nfs/dbraw/zinc/58/90/57/564589057.db2.gz NDIFHKABSSTKNU-CYBMUJFWSA-N 1 0 384.318 2.933 20 0 GFADRO CS(=O)(=O)N1CCC[C@@H](C[NH2+]C2(c3ccc(Cl)cc3)CCOCC2)C1 ZINC000484517349 564589326 /nfs/dbraw/zinc/58/93/26/564589326.db2.gz LMUVQQPAPGJFDW-HNNXBMFYSA-N 1 0 386.945 2.607 20 0 GFADRO C[C@]([NH3+])(C(=O)N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2)c1ccc(Br)cc1 ZINC000572365526 564591402 /nfs/dbraw/zinc/59/14/02/564591402.db2.gz WAYNGAKHMDGQQK-KLZNWCGWSA-N 1 0 379.298 2.697 20 0 GFADRO CC[C@H](c1ccc(Br)cc1)N1CCN(C(=O)[C@]23C[C@H]2CC[NH2+]3)CC1 ZINC000572367158 564591625 /nfs/dbraw/zinc/59/16/25/564591625.db2.gz NJUWQRNOLFFOJC-SUMDDJOVSA-N 1 0 392.341 2.796 20 0 GFADRO CC(C)[C@@H](CNC(=O)c1cn(CC[NH3+])nn1)Cc1ccc(Cl)cc1Cl ZINC000572379383 564592048 /nfs/dbraw/zinc/59/20/48/564592048.db2.gz DKEWMDFIJSCDIZ-CYBMUJFWSA-N 1 0 384.311 2.788 20 0 GFADRO CC[C@@H](C)[N@H+](CCO)C[C@H](O)COc1ccc(Cl)cc1Br ZINC000572390499 564593093 /nfs/dbraw/zinc/59/30/93/564593093.db2.gz KBQJKTPZDGVJEF-YPMHNXCESA-N 1 0 380.710 2.935 20 0 GFADRO C[C@H](c1ccccc1Br)N(C)C(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC000572401562 564593327 /nfs/dbraw/zinc/59/33/27/564593327.db2.gz PKLKZHNGOLHBTD-GFCCVEGCSA-N 1 0 392.301 2.798 20 0 GFADRO CCO[C@@H]1COCC[C@@H]1[NH2+][C@H](C)C(=O)Nc1ccc(Br)c(C)c1 ZINC000484648532 564593743 /nfs/dbraw/zinc/59/37/43/564593743.db2.gz JMNCSHMLLGZRHU-UHOFOFEASA-N 1 0 385.302 2.868 20 0 GFADRO CCO[C@@H]1COCC[C@H]1[NH2+][C@@H](C)C(=O)Nc1ccc(Br)c(C)c1 ZINC000484648524 564593808 /nfs/dbraw/zinc/59/38/08/564593808.db2.gz JMNCSHMLLGZRHU-APHBMKBZSA-N 1 0 385.302 2.868 20 0 GFADRO O=C(Nc1ccccc1Br)C(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000484673740 564594768 /nfs/dbraw/zinc/59/47/68/564594768.db2.gz RGSKECISXDDVOL-UHFFFAOYSA-N 1 0 394.313 2.865 20 0 GFADRO O=C(CNC(=O)c1sc2ccccc2c1Cl)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000519920186 564594852 /nfs/dbraw/zinc/59/48/52/564594852.db2.gz YISGUCJYBZYRSD-NSHDSACASA-N 1 0 377.897 2.637 20 0 GFADRO C[C@@H]1CN(C(=O)CCCOc2ccccc2Br)C[C@H](C)[N@H+]1CCO ZINC000456208959 564595671 /nfs/dbraw/zinc/59/56/71/564595671.db2.gz JMGYRKGQAXLDLI-GASCZTMLSA-N 1 0 399.329 2.522 20 0 GFADRO Cc1ccc(S(=O)(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)cc1Br ZINC000549513079 564596089 /nfs/dbraw/zinc/59/60/89/564596089.db2.gz PNWNMXQUYXLGAT-MRXNPFEDSA-N 1 0 387.343 2.864 20 0 GFADRO C[C@@H]1C[C@H](C)N(C(=O)c2cc(=O)c3cc(Br)ccc3[nH]2)C[C@@H]1C[NH3+] ZINC000572474433 564596351 /nfs/dbraw/zinc/59/63/51/564596351.db2.gz SHCRPJANAFRNBK-WOPDTQHZSA-N 1 0 392.297 2.736 20 0 GFADRO [NH3+]CC12CCC(CC1)CN2S(=O)(=O)c1cc(F)c(Br)cc1F ZINC000572497309 564597745 /nfs/dbraw/zinc/59/77/45/564597745.db2.gz KFTKCYPFHZVIHY-UHFFFAOYSA-N 1 0 395.269 2.619 20 0 GFADRO Cc1ccc(NC(=O)C(=O)NCC(C)(C)C[NH+]2CCCC2)c(Br)c1 ZINC000484827385 564599869 /nfs/dbraw/zinc/59/98/69/564599869.db2.gz GHZIGQZJOUOBBY-UHFFFAOYSA-N 1 0 396.329 2.934 20 0 GFADRO Cc1cc(Br)cc(NC(=O)C(=O)NCC(C)(C)C[NH+]2CCCC2)c1 ZINC000484841451 564600630 /nfs/dbraw/zinc/60/06/30/564600630.db2.gz FLODHWUGNNSJDF-UHFFFAOYSA-N 1 0 396.329 2.934 20 0 GFADRO CSC1(CNC(=O)Nc2ncc(C3CCOCC3)s2)CC[NH+](C)CC1 ZINC000572576980 564600745 /nfs/dbraw/zinc/60/07/45/564600745.db2.gz QSMAMMZWCZWQQP-UHFFFAOYSA-N 1 0 384.571 2.986 20 0 GFADRO O=C(NC[C@H]1C[NH2+]CCCO1)N1CCC[C@H]1c1ccc(Br)s1 ZINC000572586739 564600853 /nfs/dbraw/zinc/60/08/53/564600853.db2.gz MFHQHTOWDMYICY-NEPJUHHUSA-N 1 0 388.331 2.736 20 0 GFADRO CC[C@@H]1C[N@H+](CC)CCN1C(=O)[C@@H](C)NC(=O)c1ccc(Br)cc1 ZINC000456352475 564601573 /nfs/dbraw/zinc/60/15/73/564601573.db2.gz NFQAIPMAEMOKPE-CZUORRHYSA-N 1 0 396.329 2.510 20 0 GFADRO Cc1n[nH]cc1C(=O)Nc1cc(Br)ccc1N1CC[N@@H+](C)C[C@@H]1C ZINC000456363669 564602757 /nfs/dbraw/zinc/60/27/57/564602757.db2.gz FOIIXIKPOLHFEV-NSHDSACASA-N 1 0 392.301 2.873 20 0 GFADRO CO[C@H]1CCN(Cc2ccnc(-c3ccc(Br)cc3)n2)[C@H](C[NH3+])C1 ZINC000520407886 564603345 /nfs/dbraw/zinc/60/33/45/564603345.db2.gz WZIAKJCSMFYAPD-IRXDYDNUSA-N 1 0 391.313 2.844 20 0 GFADRO C[C@H]1C[N@H+](C)CCN1c1ccc(Br)cc1NC(=O)C[C@H]1CCOC1 ZINC000456367108 564603730 /nfs/dbraw/zinc/60/37/30/564603730.db2.gz JIKVZOWQGPBFNK-UONOGXRCSA-N 1 0 396.329 2.955 20 0 GFADRO CCO[C@H](C)C(=O)Nc1cc(Br)ccc1N1CC[N@H+](C)C[C@H]1C ZINC000456371013 564603921 /nfs/dbraw/zinc/60/39/21/564603921.db2.gz MZGKPRCCKKSYQC-CHWSQXEVSA-N 1 0 384.318 2.953 20 0 GFADRO C[C@H]1C[N@H+](C)CCN1c1ccc(Br)cc1NC(=O)C1CC(C)(O)C1 ZINC000456379852 564604525 /nfs/dbraw/zinc/60/45/25/564604525.db2.gz VTCLWLZLMMMYQY-ZVLZOBCMSA-N 1 0 396.329 2.689 20 0 GFADRO C[C@@H]1CCCN1C(=O)CC[N@H+](CCO)Cc1ccc(Br)s1 ZINC000485135858 564607983 /nfs/dbraw/zinc/60/79/83/564607983.db2.gz SYEJLGCHEVZLQT-GFCCVEGCSA-N 1 0 375.332 2.706 20 0 GFADRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccccc2S(=O)(=O)NC(C)(C)C)[C@H]1SC ZINC000485213363 564609752 /nfs/dbraw/zinc/60/97/52/564609752.db2.gz RZSWCAQFAVNPHE-ZMSDIMECSA-N 1 0 386.583 2.762 20 0 GFADRO CC[NH+](CC)CC[C@@H](CO)NC(=O)Cc1c[nH]c2cc(Br)ccc12 ZINC000572779448 564610312 /nfs/dbraw/zinc/61/03/12/564610312.db2.gz LQOFKEALYYKTPA-HNNXBMFYSA-N 1 0 396.329 2.682 20 0 GFADRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cnc3ccc(Br)cn23)[C@@H]1n1cccn1 ZINC000549942477 564610771 /nfs/dbraw/zinc/61/07/71/564610771.db2.gz WOPAMIAYQAPZOW-INMHGKMJSA-N 1 0 390.285 2.802 20 0 GFADRO CN(Cc1ccccc1Br)C(=O)C[NH2+][C@@H](C1CC1)C(C)(C)CO ZINC000550102256 564614174 /nfs/dbraw/zinc/61/41/74/564614174.db2.gz JJXCBCHTZHFMLF-KRWDZBQOSA-N 1 0 383.330 2.794 20 0 GFADRO COCCN(CC[NH+](C)C)C(=O)C1(c2cc(Br)ccc2OC)CC1 ZINC000572962549 564617206 /nfs/dbraw/zinc/61/72/06/564617206.db2.gz DXFHBXBXKXGJTA-UHFFFAOYSA-N 1 0 399.329 2.526 20 0 GFADRO O=C(NCCC[C@@H]1CCC[NH2+]1)c1ncc(Br)cc1Br ZINC000521028536 564617479 /nfs/dbraw/zinc/61/74/79/564617479.db2.gz RLEHAYXVOSYCRS-JTQLQIEISA-N 1 0 391.107 2.869 20 0 GFADRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)NCc1cc(Cl)cc(I)c1 ZINC000521039611 564618572 /nfs/dbraw/zinc/61/85/72/564618572.db2.gz GNDFFVWQAAXMOU-RKDXNWHRSA-N 1 0 395.672 2.870 20 0 GFADRO COCC[N@@H+]1CC[C@H](NC(=O)c2cc(C)c(Br)c(Cl)c2)C1 ZINC000550304663 564620261 /nfs/dbraw/zinc/62/02/61/564620261.db2.gz IQIARKHFXQMCSM-LBPRGKRZSA-N 1 0 375.694 2.861 20 0 GFADRO C[N@H+](CCNC(=O)C(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1)C1CC1 ZINC000485562531 564620400 /nfs/dbraw/zinc/62/04/00/564620400.db2.gz PPPRVCGUVXQQMY-MRXNPFEDSA-N 1 0 384.307 2.867 20 0 GFADRO O=C(C[N@H+]1CCCC[C@@H]1[C@H]1CCC[C@H]1O)Nc1ccc(Br)cn1 ZINC000573060094 564621215 /nfs/dbraw/zinc/62/12/15/564621215.db2.gz NLKSEJAYYMXSPO-RBSFLKMASA-N 1 0 382.302 2.798 20 0 GFADRO Cc1ccc(Br)cc1C(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000485629529 564621294 /nfs/dbraw/zinc/62/12/94/564621294.db2.gz TUXQNXUPRUMUBO-CRAIPNDOSA-N 1 0 394.357 2.856 20 0 GFADRO O=S(=O)(c1cccc(Br)c1F)N1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000521218745 564621891 /nfs/dbraw/zinc/62/18/91/564621891.db2.gz WIWOAXUKVFYSBE-STQMWFEESA-N 1 0 391.306 2.883 20 0 GFADRO C[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)N(c3cc(Cl)cc(Cl)c3)C2)C1 ZINC000521247003 564622350 /nfs/dbraw/zinc/62/23/50/564622350.db2.gz XANAKIQKMNWTAP-IUODEOHRSA-N 1 0 384.307 2.899 20 0 GFADRO Cc1c(Br)cccc1C[C@H](CO)CNC(=O)CC1CC[NH+](C)CC1 ZINC000456704334 564625779 /nfs/dbraw/zinc/62/57/79/564625779.db2.gz ALNWJZBAYSOQDH-INIZCTEOSA-N 1 0 397.357 2.757 20 0 GFADRO CCN(CC)S(=O)(=O)c1ccc(CC[NH2+]C[C@H](O)CC2CCCC2)s1 ZINC000521426896 564626479 /nfs/dbraw/zinc/62/64/79/564626479.db2.gz STIYRNRNPXQAQB-MRXNPFEDSA-N 1 0 388.599 2.852 20 0 GFADRO O=C(N[C@H]1CC[N@@H+](C2CC2)C1)[C@H]1CCN(c2cc(Cl)ccc2Cl)C1=O ZINC000521661237 564633188 /nfs/dbraw/zinc/63/31/88/564633188.db2.gz MHWKJAAUDCJNAW-GXTWGEPZSA-N 1 0 382.291 2.699 20 0 GFADRO C[N@@H+]1CCC[C@H](CNC(=O)c2ccn(-c3ccc(Br)cc3)n2)C1 ZINC000550849085 564633368 /nfs/dbraw/zinc/63/33/68/564633368.db2.gz XKUQDDBNRYEYKN-CYBMUJFWSA-N 1 0 377.286 2.706 20 0 GFADRO CS(=O)(=O)C[C@@H]([NH2+][C@H]1CCCN(Cc2ccc(F)cc2Cl)C1)C1CC1 ZINC000550885052 564634577 /nfs/dbraw/zinc/63/45/77/564634577.db2.gz CSZPDXPPJXQAFW-FUHWJXTLSA-N 1 0 388.936 2.856 20 0 GFADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@@H]1CCN(Cc2ccccc2)C1 ZINC000550892866 564634606 /nfs/dbraw/zinc/63/46/06/564634606.db2.gz UFWOVFVETMMZSU-CRAIPNDOSA-N 1 0 390.325 2.863 20 0 GFADRO CC(C)S(=O)(=O)CC(=O)Nc1cc(Cl)ccc1OC1CC[NH+](C)CC1 ZINC000456784400 564634818 /nfs/dbraw/zinc/63/48/18/564634818.db2.gz CDDOHMFBIRGQDL-UHFFFAOYSA-N 1 0 388.917 2.575 20 0 GFADRO C[N@H+]1C[C@H]2CN(c3nc(C(F)(F)F)ccc3I)C[C@H]2C1 ZINC000486040562 564636667 /nfs/dbraw/zinc/63/66/67/564636667.db2.gz TXWLUWWHYUCXOL-DTORHVGOSA-N 1 0 397.182 2.703 20 0 GFADRO C[C@H]1C[C@H](NC(=O)c2ccn(-c3ccc(Br)cc3)n2)CC[N@@H+]1C ZINC000551094510 564637298 /nfs/dbraw/zinc/63/72/98/564637298.db2.gz YTWWHHKBLAKCJH-GXTWGEPZSA-N 1 0 377.286 2.847 20 0 GFADRO Cn1ncc2ccc(C[NH2+]C[C@@H](O)COc3cccc(Br)c3)cc21 ZINC000521864814 564637296 /nfs/dbraw/zinc/63/72/96/564637296.db2.gz GDGVEKGHDRXJAF-MRXNPFEDSA-N 1 0 390.281 2.865 20 0 GFADRO C[C@@H]1C[NH+](CCCCNC(=O)c2ncsc2Br)C[C@@H](C)O1 ZINC000521896053 564639024 /nfs/dbraw/zinc/63/90/24/564639024.db2.gz KPYNIUVAIZJAHZ-GHMZBOCLSA-N 1 0 376.320 2.525 20 0 GFADRO C[C@@H]1C[C@@H](NS(=O)(=O)c2cccc(Br)c2Cl)CC[N@@H+]1C ZINC000551161464 564640177 /nfs/dbraw/zinc/64/01/77/564640177.db2.gz YSNCBGLBVWQLQN-ZJUUUORDSA-N 1 0 381.723 2.864 20 0 GFADRO O=C(N[C@H](CO)C[NH+]1CCCCC1)[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000573544822 564642564 /nfs/dbraw/zinc/64/25/64/564642564.db2.gz VDZVKGKUYXVMDZ-YESZJQIVSA-N 1 0 381.314 2.516 20 0 GFADRO O=C1CCCN1[C@@H]1CCC[N@@H+](C[C@@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000522097005 564644470 /nfs/dbraw/zinc/64/44/70/564644470.db2.gz GUEXQLHNEQOQSU-HUUCEWRRSA-N 1 0 387.307 2.820 20 0 GFADRO C[C@@H](C(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1)N(C)CC(F)(F)F ZINC000457075576 564645253 /nfs/dbraw/zinc/64/52/53/564645253.db2.gz WJTWMOYPBVILII-NSHDSACASA-N 1 0 377.373 2.744 20 0 GFADRO CN(C(=O)NCc1nc2c(cccc2Br)[nH]1)[C@@H]1CCC[NH2+]CC1 ZINC000573583365 564645251 /nfs/dbraw/zinc/64/52/51/564645251.db2.gz BQZPQBPGUWXELP-LLVKDONJSA-N 1 0 380.290 2.609 20 0 GFADRO C[C@@H]([NH2+]CC(=O)Nc1ccc(I)cc1)[C@]1(C)CCCO1 ZINC000551306360 564645694 /nfs/dbraw/zinc/64/56/94/564645694.db2.gz LZQKHJSIBGDJEU-ABAIWWIYSA-N 1 0 388.249 2.777 20 0 GFADRO CC[NH2+]CC1CCN(C(=O)Cc2cc3c(cc2Br)OCCO3)CC1 ZINC000573608685 564645871 /nfs/dbraw/zinc/64/58/71/564645871.db2.gz BGTFEBRNINGVOY-UHFFFAOYSA-N 1 0 397.313 2.611 20 0 GFADRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(I)cc2F)C1 ZINC000457098788 564646201 /nfs/dbraw/zinc/64/62/01/564646201.db2.gz UKBBZJZUYPFFJS-GFCCVEGCSA-N 1 0 390.240 2.985 20 0 GFADRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)c2cc(I)ccc2O)C1 ZINC000457095679 564646307 /nfs/dbraw/zinc/64/63/07/564646307.db2.gz PZZPZNKIABOSIO-LBPRGKRZSA-N 1 0 388.249 2.552 20 0 GFADRO C[C@H]1CC[N@H+](C)CCN1C(=O)CNC(=O)c1sc2ccccc2c1Cl ZINC000522215821 564647031 /nfs/dbraw/zinc/64/70/31/564647031.db2.gz IMMVJPFYXHYKCG-LBPRGKRZSA-N 1 0 379.913 2.837 20 0 GFADRO C[C@@H]1CC[N@H+](CC(=O)N2CCN(C(=O)c3cc4sccc4s3)CC2)C1 ZINC000573623633 564647317 /nfs/dbraw/zinc/64/73/17/564647317.db2.gz NVRUSKQMTLTNPD-CYBMUJFWSA-N 1 0 377.535 2.589 20 0 GFADRO CCOCCOc1ccc(Br)cc1C[NH2+]C1CCC(C(N)=O)CC1 ZINC000522212933 564647497 /nfs/dbraw/zinc/64/74/97/564647497.db2.gz KWARDGFBZJWNOI-UHFFFAOYSA-N 1 0 399.329 2.998 20 0 GFADRO COc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCCN2S(=O)(=O)N(C)C)cc1Cl ZINC000573642841 564647989 /nfs/dbraw/zinc/64/79/89/564647989.db2.gz ZPRARZDKQQWJOR-HIFRSBDPSA-N 1 0 389.949 2.660 20 0 GFADRO C[C@H](NC(=O)[C@H]1C[N@H+](C)C[C@@H]1C)c1nc(-c2ccc(Br)cc2)no1 ZINC000486617351 564659303 /nfs/dbraw/zinc/65/93/03/564659303.db2.gz SFFJUGQQTSQTKD-MJVIPROJSA-N 1 0 393.285 2.874 20 0 GFADRO C[C@H](NC(=O)NC[C@H]1CCC[N@@H+]1CCCO)c1ccc(Br)cc1 ZINC000457449967 564661202 /nfs/dbraw/zinc/66/12/02/564661202.db2.gz GXXHJCFSIUNYIK-XJKSGUPXSA-N 1 0 384.318 2.656 20 0 GFADRO C[N@@H+]1CC[C@H]2CCN(S(=O)(=O)c3ccc(OC(F)F)c(Cl)c3)[C@H]2C1 ZINC000486662370 564662147 /nfs/dbraw/zinc/66/21/47/564662147.db2.gz WPKVJUMHAZEERQ-GWCFXTLKSA-N 1 0 380.844 2.656 20 0 GFADRO C[C@H]1C[C@@H](NC(=O)c2ccn(-c3ccc(Br)cc3)n2)C[N@@H+]1C1CC1 ZINC000551775580 564663539 /nfs/dbraw/zinc/66/35/39/564663539.db2.gz JUCAIWDOFNWPEX-GXTWGEPZSA-N 1 0 389.297 2.990 20 0 GFADRO CCCS(=O)(=O)N1CCC([NH2+][C@@H](C)c2cnc(OC)c(Cl)c2)CC1 ZINC000551792950 564663604 /nfs/dbraw/zinc/66/36/04/564663604.db2.gz UABFKHGWVHQEOE-LBPRGKRZSA-N 1 0 375.922 2.598 20 0 GFADRO O=C(CSCC1CC[NH2+]CC1)NCCOc1cccc(C(F)(F)F)c1 ZINC000574037413 564665166 /nfs/dbraw/zinc/66/51/66/564665166.db2.gz QQXUFHMRMARKMF-UHFFFAOYSA-N 1 0 376.444 2.933 20 0 GFADRO C[C@H]1CC[N@H+](C)CCN1C(=O)c1cn(Cc2ccc(Cl)cc2Cl)nn1 ZINC000457593972 564666658 /nfs/dbraw/zinc/66/66/58/564666658.db2.gz YXECYWANXUYDCQ-LBPRGKRZSA-N 1 0 382.295 2.799 20 0 GFADRO C[C@@H]1CSCCN1CC(=O)N(C)CCOc1ccc(Br)cc1 ZINC000523450358 564667399 /nfs/dbraw/zinc/66/73/99/564667399.db2.gz SEPUEVLZBBIZMO-CYBMUJFWSA-N 1 0 387.343 2.724 20 0 GFADRO O=C(NCc1ccccc1C[N@H+]1CC[C@H](O)C1)c1cc(Br)co1 ZINC000457704000 564670126 /nfs/dbraw/zinc/67/01/26/564670126.db2.gz SZLFJACPFYTAIX-HNNXBMFYSA-N 1 0 379.254 2.539 20 0 GFADRO O=C(N[C@H](c1cncc(Br)c1)C1CC1)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000574142212 564670195 /nfs/dbraw/zinc/67/01/95/564670195.db2.gz PBPFDNAMCPIKHX-GFOFROLCSA-N 1 0 393.329 2.983 20 0 GFADRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2cc(I)c[nH]2)C1 ZINC000523727087 564672161 /nfs/dbraw/zinc/67/21/61/564672161.db2.gz APKBHTAHDOUWKF-LLVKDONJSA-N 1 0 389.281 2.860 20 0 GFADRO CC(C)(C)[N@@H+]1CCCN(C(=O)c2cc(I)c[nH]2)CC1 ZINC000523741955 564672626 /nfs/dbraw/zinc/67/26/26/564672626.db2.gz GUQUDHOBIVBDFG-UHFFFAOYSA-N 1 0 375.254 2.566 20 0 GFADRO Cc1cc(S(=O)(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)c(F)cc1Br ZINC000574452706 564674385 /nfs/dbraw/zinc/67/43/85/564674385.db2.gz JIRSYMHBJDPPKD-WDEREUQCSA-N 1 0 379.295 2.692 20 0 GFADRO Cc1cc(Br)c(S(=O)(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)s1 ZINC000487070494 564674416 /nfs/dbraw/zinc/67/44/16/564674416.db2.gz LXDHMQZIGVXUSE-GHMZBOCLSA-N 1 0 381.361 2.970 20 0 GFADRO COCC[N@H+](C)CCCNC(=O)N1CCC[C@@H]1c1ccc(Br)cn1 ZINC000457825699 564674661 /nfs/dbraw/zinc/67/46/61/564674661.db2.gz ZDHMAYFQHVBQIY-MRXNPFEDSA-N 1 0 399.333 2.659 20 0 GFADRO CCC[NH+]1CCC(CNC(=O)N[C@H](C)c2ncc(Br)cn2)CC1 ZINC000574470777 564675566 /nfs/dbraw/zinc/67/55/66/564675566.db2.gz ZTWXSCWTNLSUNN-GFCCVEGCSA-N 1 0 384.322 2.721 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH2+]C[C@@H](O)[C@H]1CCOC1 ZINC000524065239 564676485 /nfs/dbraw/zinc/67/64/85/564676485.db2.gz MWBHQAUAQPOELP-KBXCAEBGSA-N 1 0 394.313 2.739 20 0 GFADRO C[C@@H](Cc1ccc(Br)cc1)NC(=O)NC[C@@H]1CCC[N@@H+]1CCCO ZINC000457873946 564677311 /nfs/dbraw/zinc/67/73/11/564677311.db2.gz LUIZXKGALNRRRR-YOEHRIQHSA-N 1 0 398.345 2.526 20 0 GFADRO C[C@H]([NH2+]CC1(S(C)(=O)=O)CCCC1)c1ccc(-n2cncn2)cc1Cl ZINC000552097143 564677753 /nfs/dbraw/zinc/67/77/53/564677753.db2.gz UUDFITMTHMPUPT-ZDUSSCGKSA-N 1 0 382.917 2.929 20 0 GFADRO COC(=O)c1cc(C[NH2+][C@@H]2CCN(c3cccc(Br)c3)C2)c[nH]1 ZINC000487196615 564679500 /nfs/dbraw/zinc/67/95/00/564679500.db2.gz DIGHQYSCCIRRHF-CQSZACIVSA-N 1 0 378.270 2.932 20 0 GFADRO C[N@H+](CC(=O)N1CC[C@H](C(F)(F)F)C2(CCOCC2)C1)[C@@H]1CCSC1 ZINC000457953617 564680567 /nfs/dbraw/zinc/68/05/67/564680567.db2.gz ZCIVVXGDNNIRGR-KGLIPLIRSA-N 1 0 380.476 2.631 20 0 GFADRO COC(=O)C[C@](C)(NC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C)c1ccc(Br)cc1 ZINC000487311773 564682887 /nfs/dbraw/zinc/68/28/87/564682887.db2.gz UPSCXFVVEWQBRD-PNPHSEOMSA-N 1 0 397.313 2.541 20 0 GFADRO C[C@@H]1CC[N@H+](CCNC(=O)c2[nH]nc(-c3ccccc3)c2Br)C1 ZINC000524720201 564686422 /nfs/dbraw/zinc/68/64/22/564686422.db2.gz CJEFTBGXPIUAMA-GFCCVEGCSA-N 1 0 377.286 2.911 20 0 GFADRO C[C@@H]([NH2+]C[C@H]1CCCCN1S(C)(=O)=O)c1ccc(F)cc1OC(F)F ZINC000552333859 564686509 /nfs/dbraw/zinc/68/65/09/564686509.db2.gz QRKOVSOTPJIRIE-DGCLKSJQSA-N 1 0 380.432 2.892 20 0 GFADRO C[NH+]1CCC(n2ccc(NC(=O)NCc3ccc(Br)s3)n2)CC1 ZINC000574977472 564689615 /nfs/dbraw/zinc/68/96/15/564689615.db2.gz AULCTBHAGFMZIX-UHFFFAOYSA-N 1 0 398.330 3.296 20 0 GFADRO C[C@@H]1[C@H](C)N(c2ncnc3ccc(I)cc32)CC[N@H+]1C ZINC000552394422 564689868 /nfs/dbraw/zinc/68/98/68/564689868.db2.gz PRMABSHLVKIMPQ-MNOVXSKESA-N 1 0 382.249 2.763 20 0 GFADRO Cc1ncc2c(n1)CC[C@H]([NH2+]C[C@@H](O)COc1ccc(Cl)cc1Cl)C2 ZINC000575052952 564691691 /nfs/dbraw/zinc/69/16/91/564691691.db2.gz UXMRCYLIFGIJSE-LSDHHAIUSA-N 1 0 382.291 2.979 20 0 GFADRO CCn1c(SCC(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)nnc1-c1cccs1 ZINC000525106364 564693174 /nfs/dbraw/zinc/69/31/74/564693174.db2.gz OMCLCBGIWYROKL-OLZOCXBDSA-N 1 0 379.555 2.718 20 0 GFADRO C[NH+](C)CCOc1cnccc1CNC(=O)NCCc1ccc(Cl)s1 ZINC000575211141 564693582 /nfs/dbraw/zinc/69/35/82/564693582.db2.gz DVIFQHNJJZCGLJ-UHFFFAOYSA-N 1 0 382.917 2.779 20 0 GFADRO CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)NCCc2cc(Cl)cc(Cl)c2)C1 ZINC000552507197 564693849 /nfs/dbraw/zinc/69/38/49/564693849.db2.gz ZTISSGBREFFVBI-INIZCTEOSA-N 1 0 386.323 2.595 20 0 GFADRO C[NH+](C)CC(C)(C)NC(=O)N[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000458285033 564697178 /nfs/dbraw/zinc/69/71/78/564697178.db2.gz RXYPEPKGPSNAJL-AWEZNQCLSA-N 1 0 383.334 2.667 20 0 GFADRO CC(C)CN(C(=O)C[NH2+][C@H](C)c1cccc(Cl)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000487971445 564700820 /nfs/dbraw/zinc/70/08/20/564700820.db2.gz NWNNZVDXKMEPOM-RHSMWYFYSA-N 1 0 386.945 2.662 20 0 GFADRO CN(C)c1cc[nH+]cc1C(=O)N1CCN(c2cccc(Br)c2)CC1 ZINC000552785904 564701097 /nfs/dbraw/zinc/70/10/97/564701097.db2.gz FYLSGGNTAKBQFX-UHFFFAOYSA-N 1 0 389.297 2.873 20 0 GFADRO O=C(NC[C@H]1CCC[N@H+]1CCCO)N[C@H]1COc2c1ccc(Cl)c2Cl ZINC000458471256 564703768 /nfs/dbraw/zinc/70/37/68/564703768.db2.gz SKMXZEOATLZOCB-RISCZKNCSA-N 1 0 388.295 2.573 20 0 GFADRO C[C@@H](CNC(=O)CSc1nnc(-c2cccs2)n1C1CC1)C[NH+](C)C ZINC000552886535 564704596 /nfs/dbraw/zinc/70/45/96/564704596.db2.gz QCPJNFBZBPATQC-LBPRGKRZSA-N 1 0 379.555 2.748 20 0 GFADRO CN1CC[NH+](CCCCNc2ccc(Br)c(C(F)(F)F)n2)CC1 ZINC000552934658 564705212 /nfs/dbraw/zinc/70/52/12/564705212.db2.gz JJSVKIPHHIIWAU-UHFFFAOYSA-N 1 0 395.267 3.302 20 0 GFADRO C[N@H+](CC(=O)N[C@H]1CCN(c2cccc(Br)c2)C1)[C@@H]1CCSC1 ZINC000488166339 564705256 /nfs/dbraw/zinc/70/52/56/564705256.db2.gz IMKLRYVPZGEQLS-GOEBONIOSA-N 1 0 398.370 2.581 20 0 GFADRO CCOc1cc(C[NH2+][C@@H]2CC(=O)N([C@@H]3C[C@@H]3C)C2)cc(Br)c1OC ZINC000525709674 564706026 /nfs/dbraw/zinc/70/60/26/564706026.db2.gz ZSDLQVRZTQQJJY-NJZAAPMLSA-N 1 0 397.313 2.955 20 0 GFADRO CCOc1cc(C[NH2+][C@@H]2CC(=O)N([C@H]3C[C@@H]3C)C2)cc(Br)c1OC ZINC000525709673 564706317 /nfs/dbraw/zinc/70/63/17/564706317.db2.gz ZSDLQVRZTQQJJY-LNSITVRQSA-N 1 0 397.313 2.955 20 0 GFADRO Cc1cccc(I)c1C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000576219740 564708109 /nfs/dbraw/zinc/70/81/09/564708109.db2.gz IMKHILVSOSSCCT-OUCADQQQSA-N 1 0 384.261 2.799 20 0 GFADRO C[C@H]1C[C@H]1C[N@@H+]1CCCN(S(=O)(=O)c2ccc(Br)s2)CC1 ZINC000488315886 564708949 /nfs/dbraw/zinc/70/89/49/564708949.db2.gz FKTUXYJWCMHDGM-RYUDHWBXSA-N 1 0 393.372 2.863 20 0 GFADRO O=C(N[C@@H]1C[C@H]1c1cccc(Br)c1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000525816353 564709344 /nfs/dbraw/zinc/70/93/44/564709344.db2.gz XAUPYRHFGVLMGG-YESZJQIVSA-N 1 0 376.298 2.961 20 0 GFADRO Cc1cc(Br)cn2cc(CNC(=O)NC(C)(C)C[NH+](C)C)nc12 ZINC000458657279 564710758 /nfs/dbraw/zinc/71/07/58/564710758.db2.gz MVTDTUZSAUQQGH-UHFFFAOYSA-N 1 0 382.306 2.545 20 0 GFADRO C[C@H](NC(=O)N[C@H]1CCC[N@H+](CCCO)C1)c1ccc(Br)s1 ZINC000458687855 564711578 /nfs/dbraw/zinc/71/15/78/564711578.db2.gz NVOKLCVIZCEUJP-RYUDHWBXSA-N 1 0 390.347 2.718 20 0 GFADRO C[C@@H]1CCNC(=O)[C@@H]1[NH2+]CC(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000576302645 564711789 /nfs/dbraw/zinc/71/17/89/564711789.db2.gz SWCFFPIIOAIGQI-XQAQDONZSA-N 1 0 384.307 2.771 20 0 GFADRO CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)NCc2ccc(Cl)cc2Cl)C1 ZINC000576491072 564714365 /nfs/dbraw/zinc/71/43/65/564714365.db2.gz NRVCFRRZWHABKL-CYBMUJFWSA-N 1 0 386.323 2.800 20 0 GFADRO COC[C@@](C)(O)C[NH2+][C@@H](C)CCc1ccc(I)cc1 ZINC000525985968 564715617 /nfs/dbraw/zinc/71/56/17/564715617.db2.gz SHWUHTOVHZDJLS-WFASDCNBSA-N 1 0 377.266 2.599 20 0 GFADRO COC[C@@](C)(O)C[NH2+][C@H](C)CCc1ccc(I)cc1 ZINC000525985965 564715807 /nfs/dbraw/zinc/71/58/07/564715807.db2.gz SHWUHTOVHZDJLS-DOMZBBRYSA-N 1 0 377.266 2.599 20 0 GFADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1Cc1cc2c(cc1Br)OCO2 ZINC000488656361 564716499 /nfs/dbraw/zinc/71/64/99/564716499.db2.gz DTHWMGHTTKSDGW-ZDUSSCGKSA-N 1 0 397.313 2.863 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CCN(S(=O)(=O)c2ccc3ccccc3c2Br)C1 ZINC000576755081 564718281 /nfs/dbraw/zinc/71/82/81/564718281.db2.gz OUXMTTJRFVVCSX-DGCLKSJQSA-N 1 0 383.311 2.960 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)NCc1ccc(C[S@@](C)=O)cc1)c1ccsc1 ZINC000553388783 564718284 /nfs/dbraw/zinc/71/82/84/564718284.db2.gz NCPBXBZZMLALNM-SSOJOUAXSA-N 1 0 379.551 2.729 20 0 GFADRO CCOC(=O)c1cc2cc(S(=O)(=O)N(C)C3(C[NH3+])CCC3)ccc2s1 ZINC000576755078 564718326 /nfs/dbraw/zinc/71/83/26/564718326.db2.gz OSFWREIDRVOSLZ-UHFFFAOYSA-N 1 0 382.507 2.580 20 0 GFADRO C[C@H]1[C@H](CO)CC[N@@H+]1CCCOc1cccc(I)c1 ZINC000488745928 564719341 /nfs/dbraw/zinc/71/93/41/564719341.db2.gz BNEHDJUBPDOXMH-STQMWFEESA-N 1 0 375.250 2.763 20 0 GFADRO CC1(C)[C@H]([NH2+]Cc2cn(-c3ccccc3Br)nn2)[C@@H]2CCO[C@H]21 ZINC000553439138 564720859 /nfs/dbraw/zinc/72/08/59/564720859.db2.gz OWCQZJMCUASYOY-APHBMKBZSA-N 1 0 377.286 2.933 20 0 GFADRO Cc1nc(CNC(=O)N2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)sc1Br ZINC000458920505 564724172 /nfs/dbraw/zinc/72/41/72/564724172.db2.gz FQRRAGDZEGATJA-NWDGAFQWSA-N 1 0 387.347 2.982 20 0 GFADRO O=S(=O)(CC[NH2+]C[C@@H](CO)Cc1c(F)cccc1Cl)c1ccccc1 ZINC000577109032 564725373 /nfs/dbraw/zinc/72/53/73/564725373.db2.gz FOXQHWMYUMVETH-AWEZNQCLSA-N 1 0 385.888 2.694 20 0 GFADRO C[C@@H](NS(=O)(=O)Cc1ccc(Cl)cc1Br)[C@@H]1CCC[NH2+]C1 ZINC000577107565 564725424 /nfs/dbraw/zinc/72/54/24/564725424.db2.gz QHQUYIWLBCZEGS-GHMZBOCLSA-N 1 0 395.750 2.910 20 0 GFADRO C[C@H](O)C[N@@H+]1CCN(C(=O)NC/C=C\c2ccc(Br)cc2)C[C@H]1C ZINC000458984570 564727585 /nfs/dbraw/zinc/72/75/85/564727585.db2.gz VMFFPJSIFYEPDG-OVNWPICBSA-N 1 0 396.329 2.559 20 0 GFADRO C[N@@H+]1CC[C@@](O)(CNC(=O)Nc2ccc(C(F)(F)F)c(Br)c2)C1 ZINC000527056568 564727843 /nfs/dbraw/zinc/72/78/43/564727843.db2.gz DIOBJJJAGRPOMU-CYBMUJFWSA-N 1 0 396.207 2.656 20 0 GFADRO CS(=O)(=O)N1CC[C@@H]([NH2+][C@H]2CCCCc3ccc(Br)cc32)C1 ZINC000577184195 564728127 /nfs/dbraw/zinc/72/81/27/564728127.db2.gz LFMFOSPJHGCACS-ZBFHGGJFSA-N 1 0 387.343 2.840 20 0 GFADRO Cc1c(Br)c2ccccc2n1CC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000577198120 564728831 /nfs/dbraw/zinc/72/88/31/564728831.db2.gz GVBUBKXSNICCIA-ZIAGYGMSSA-N 1 0 376.298 2.780 20 0 GFADRO OC[C@@]1([C@@H]([NH2+]Cc2cc3c(cc2Br)OCO3)C2CC2)CCCO1 ZINC000577196775 564729419 /nfs/dbraw/zinc/72/94/19/564729419.db2.gz PXHCKWABFUSDQD-DLBZAZTESA-N 1 0 384.270 2.588 20 0 GFADRO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCc1nc2c(cccc2Br)[nH]1 ZINC000459195859 564735259 /nfs/dbraw/zinc/73/52/59/564735259.db2.gz GOAJOSCTRLHVOU-RYUDHWBXSA-N 1 0 392.301 2.704 20 0 GFADRO O=C(NCC[N@H+]1CC=CCC1)[C@@H]1CCN(c2cc(Cl)ccc2Cl)C1=O ZINC000527267246 564736394 /nfs/dbraw/zinc/73/63/94/564736394.db2.gz ZFZJVXNAKNNNDR-AWEZNQCLSA-N 1 0 382.291 2.724 20 0 GFADRO CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@H](CO)c1ccc(Br)c(F)c1 ZINC000553815953 564737662 /nfs/dbraw/zinc/73/76/62/564737662.db2.gz QIGYACZJTVKHHI-QMTHXVAHSA-N 1 0 375.282 2.905 20 0 GFADRO C[N@@H+]1CCC[C@H](CCNC(=O)N[C@@H](CO)c2ccc(Br)cc2)C1 ZINC000459328776 564740182 /nfs/dbraw/zinc/74/01/82/564740182.db2.gz YNPOBWKRADJDIY-CJNGLKHVSA-N 1 0 384.318 2.514 20 0 GFADRO Cc1cc(S(=O)(=O)N2CCCC[C@H]2[C@H](C)[NH3+])c(F)cc1Br ZINC000578357106 564743151 /nfs/dbraw/zinc/74/31/51/564743151.db2.gz VSEAGCSOBAWSPY-GWCFXTLKSA-N 1 0 379.295 2.787 20 0 GFADRO CC[NH+](CC)[C@H](CNC(=O)NCCn1cc(Br)cn1)CC(C)C ZINC000553940999 564746435 /nfs/dbraw/zinc/74/64/35/564746435.db2.gz MIMXPRWBXCQICL-HNNXBMFYSA-N 1 0 388.354 2.701 20 0 GFADRO O=C(CN1CCc2ccc(Br)cc2C1)NC1CC[NH+](C2CC2)CC1 ZINC000579261274 564746460 /nfs/dbraw/zinc/74/64/60/564746460.db2.gz CFTZWYFXVWGIPB-UHFFFAOYSA-N 1 0 392.341 2.550 20 0 GFADRO [NH3+][C@H]1C[C@@H](C(=O)Nc2cc(Cl)c(NC(=O)c3cnccn3)c(Cl)c2)C1 ZINC000579475290 564748524 /nfs/dbraw/zinc/74/85/24/564748524.db2.gz FABYJZOFERVOQK-DTORHVGOSA-N 1 0 380.235 2.712 20 0 GFADRO COC(=O)[C@@H]1CCO[C@H]1C1CCN(Cc2cccc(O)c2Br)CC1 ZINC000459555738 564750550 /nfs/dbraw/zinc/75/05/50/564750550.db2.gz IJBXJVTXLHHGMZ-PBHICJAKSA-N 1 0 398.297 2.945 20 0 GFADRO COCc1cc(C[NH2+]C[C@@H](CO)Cc2ccc(F)c(Br)c2)no1 ZINC000459562893 564750607 /nfs/dbraw/zinc/75/06/07/564750607.db2.gz DFOZDCKJKOCBIJ-LBPRGKRZSA-N 1 0 387.249 2.663 20 0 GFADRO OC[C@@H](C[NH2+]Cc1cn2cccnc2n1)Cc1cc(Br)ccc1F ZINC000459568777 564751653 /nfs/dbraw/zinc/75/16/53/564751653.db2.gz JPTQXKCOJQWMBH-GFCCVEGCSA-N 1 0 393.260 2.572 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)NCCCn1cc(Br)cn1)c1ccccc1 ZINC000554220383 564753802 /nfs/dbraw/zinc/75/38/02/564753802.db2.gz QFIZJQJTYKUNPF-INIZCTEOSA-N 1 0 394.317 2.638 20 0 GFADRO C[C@H](O)CC(C)(C)C[NH2+]CCS(=O)(=O)c1cccc(Br)c1 ZINC000580304801 564755152 /nfs/dbraw/zinc/75/51/52/564755152.db2.gz YLXZGFUOPRITHZ-LBPRGKRZSA-N 1 0 378.332 2.610 20 0 GFADRO Cc1cc(Br)c(C[NH2+]C[C@@]2(O)CCOC2)cc1Br ZINC000527688133 564755174 /nfs/dbraw/zinc/75/51/74/564755174.db2.gz SKWDADKWKABTQV-ZDUSSCGKSA-N 1 0 379.092 2.761 20 0 GFADRO Cc1cc(Br)c(C[NH2+]CC2(CO)COC2)cc1Br ZINC000527683679 564755555 /nfs/dbraw/zinc/75/55/55/564755555.db2.gz ULJIOEZILNRKMO-UHFFFAOYSA-N 1 0 379.092 2.619 20 0 GFADRO O=C([C@@H]1CC[N@@H+](C[C@H](O)COc2c(Cl)cccc2Cl)C1)N1CCCC1 ZINC000554284494 564755556 /nfs/dbraw/zinc/75/55/56/564755556.db2.gz ROWLJXQNVVYTTI-KGLIPLIRSA-N 1 0 387.307 2.677 20 0 GFADRO CNC(=O)[C@H](CCSC)[NH2+][C@H](C)c1ccc(OC)c(Br)c1 ZINC000489890027 564756570 /nfs/dbraw/zinc/75/65/70/564756570.db2.gz YBLYJLLEMXFHAS-MFKMUULPSA-N 1 0 375.332 2.976 20 0 GFADRO OC[C@H](C[NH2+]Cc1cn2cccnc2n1)Cc1cc(F)cc(Br)c1 ZINC000459684719 564756762 /nfs/dbraw/zinc/75/67/62/564756762.db2.gz AJUNPDWKWVCUPN-ZDUSSCGKSA-N 1 0 393.260 2.572 20 0 GFADRO O=C(NC[C@@H]1CCC[NH2+]C1)N1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000580412933 564757195 /nfs/dbraw/zinc/75/71/95/564757195.db2.gz IFWPRXDGIISFEY-CJNGLKHVSA-N 1 0 382.302 2.532 20 0 GFADRO CC(C)NS(=O)(=O)c1cccc(C[NH2+][C@@H]2CCO[C@@H](C(F)(F)F)C2)c1 ZINC000554348724 564757366 /nfs/dbraw/zinc/75/73/66/564757366.db2.gz FBTLXBQPGDHLIY-UKRRQHHQSA-N 1 0 380.432 2.573 20 0 GFADRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NC(C)(C)COc1ncc(Cl)cc1Cl ZINC000580413440 564757499 /nfs/dbraw/zinc/75/74/99/564757499.db2.gz YPKIFESESJSQRS-MFKMUULPSA-N 1 0 375.300 2.843 20 0 GFADRO CCCS(=O)(=O)N1CCC([NH2+][C@@H](COC)c2cccc(Cl)c2F)CC1 ZINC000554349781 564757650 /nfs/dbraw/zinc/75/76/50/564757650.db2.gz OGHSGOQEOKSBFO-INIZCTEOSA-N 1 0 392.924 2.960 20 0 GFADRO C[C@H]([NH2+]C[C@@]1(CO)COCC2(CCC2)N1C)c1ccc(Br)s1 ZINC000527752736 564759395 /nfs/dbraw/zinc/75/93/95/564759395.db2.gz HDEGNFOJVGMBEE-BLLLJJGKSA-N 1 0 389.359 2.777 20 0 GFADRO COCCNC(=O)C1([NH2+]Cc2cc(Br)cc(C(F)(F)F)c2)CC1 ZINC000459747085 564759973 /nfs/dbraw/zinc/75/99/73/564759973.db2.gz CPSDPNKOXBMFRC-UHFFFAOYSA-N 1 0 395.219 2.853 20 0 GFADRO COc1sc(C[NH2+][C@@]2(CO)COc3ccccc3C2)cc1Br ZINC000527770326 564760670 /nfs/dbraw/zinc/76/06/70/564760670.db2.gz URTBQAFPRDEEHB-INIZCTEOSA-N 1 0 384.295 2.975 20 0 GFADRO COC(=O)c1cc(C[NH2+][C@@H]2CCO[C@H]2c2cncc(Br)c2)c[nH]1 ZINC000459763940 564760782 /nfs/dbraw/zinc/76/07/82/564760782.db2.gz MYPQMBBFOFBZLV-HIFRSBDPSA-N 1 0 380.242 2.579 20 0 GFADRO CSC1(CNS(=O)(=O)CCc2cccc(Cl)c2)CC[NH+](C)CC1 ZINC000580501368 564761393 /nfs/dbraw/zinc/76/13/93/564761393.db2.gz YNNFIOUFXQHBCR-UHFFFAOYSA-N 1 0 376.975 2.629 20 0 GFADRO CCO[C@@]1(C)C[C@H]1[NH2+]Cc1cc(Br)ccc1O[C@H](C)C(=O)NC ZINC000527782841 564761593 /nfs/dbraw/zinc/76/15/93/564761593.db2.gz KAQCXSLKDFNLQP-JGFGOQIWSA-N 1 0 385.302 2.620 20 0 GFADRO CC1CC[NH+]([C@@H](CNc2ccc(S(N)(=O)=O)cn2)c2cccs2)CC1 ZINC000490108948 564763869 /nfs/dbraw/zinc/76/38/69/564763869.db2.gz ZMLHQIBZLSNGEP-HNNXBMFYSA-N 1 0 380.539 2.676 20 0 GFADRO C[N@H+](CC(=O)NCc1csc(CCc2ccccc2)n1)[C@H]1CCSC1 ZINC000490127883 564764659 /nfs/dbraw/zinc/76/46/59/564764659.db2.gz AFUCJXQXLTYZOZ-KRWDZBQOSA-N 1 0 375.563 2.982 20 0 GFADRO CC[C@H]([NH2+]C[C@@H](O)[C@@H]1CCCO1)c1ccc(I)cc1 ZINC000527956633 564766483 /nfs/dbraw/zinc/76/64/83/564766483.db2.gz RCBGQLPRKRMDFG-ZNMIVQPWSA-N 1 0 375.250 2.872 20 0 GFADRO O=C([C@H](c1ccc(Br)cc1)N1CCCC1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000580644780 564767927 /nfs/dbraw/zinc/76/79/27/564767927.db2.gz SUJNWISBHYLJDH-JQHSSLGASA-N 1 0 392.341 2.796 20 0 GFADRO CC(C)[C@H]1C[NH2+]CCN1S(=O)(=O)c1ccc(Cl)cc1Br ZINC000528048400 564767974 /nfs/dbraw/zinc/76/79/74/564767974.db2.gz KMGQARWUSBMVHZ-GFCCVEGCSA-N 1 0 381.723 2.721 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+][C@H](CO)C1CCOCC1 ZINC000554644274 564768605 /nfs/dbraw/zinc/76/86/05/564768605.db2.gz BNQYNKKQNVZFBO-GOSISDBHSA-N 1 0 394.313 2.820 20 0 GFADRO CC(C)[N@@H+]1CCC[C@@H](NC(=O)Cc2ccc(I)cc2)C1 ZINC000490358337 564768869 /nfs/dbraw/zinc/76/88/69/564768869.db2.gz BCRSFAYMOMTTHH-OAHLLOKOSA-N 1 0 386.277 2.823 20 0 GFADRO Cc1nc(CNC(=O)N[C@@H](c2nccn2C)C2CC2)sc1Br ZINC000580697416 564769639 /nfs/dbraw/zinc/76/96/39/564769639.db2.gz NGTPKHJRUVFNBE-LLVKDONJSA-N 1 0 384.303 2.898 20 0 GFADRO C[C@@H](C(=O)NCCCS(=O)(=O)c1ccc(Cl)cc1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000554708158 564770728 /nfs/dbraw/zinc/77/07/28/564770728.db2.gz WAGLGINWYUZSIF-ZNMIVQPWSA-N 1 0 386.945 2.881 20 0 GFADRO COc1ccc(Cl)cc1CS(=O)(=O)N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC000490448602 564771523 /nfs/dbraw/zinc/77/15/23/564771523.db2.gz WSLJUFULXFPKJY-CQSZACIVSA-N 1 0 386.945 2.985 20 0 GFADRO CS[C@@H]1CN([C@H](C)C(=O)NCc2ccc(Cl)cc2)C[C@@H]1[NH+]1CCCC1 ZINC000460345328 564774092 /nfs/dbraw/zinc/77/40/92/564774092.db2.gz BTJJYDDIGKHXNO-FHLIZLRMSA-N 1 0 381.973 2.856 20 0 GFADRO CCOC(=O)[C@H](C)[C@H](C)[NH2+][C@H](C)C(=O)N(C)Cc1ccc(Br)cc1 ZINC000554812123 564774688 /nfs/dbraw/zinc/77/46/88/564774688.db2.gz PVVMDVSAAILOIK-HZSPNIEDSA-N 1 0 399.329 2.973 20 0 GFADRO CC[NH+](CC)CC[C@H](CO)NC(=O)c1c(C)ccc(Br)c1OC ZINC000580963348 564781419 /nfs/dbraw/zinc/78/14/19/564781419.db2.gz YTKYCNYQWDSYGA-CYBMUJFWSA-N 1 0 387.318 2.589 20 0 GFADRO CNCc1noc([C@@H]2CCCN2C(=O)NCc2cccc(Br)c2)n1 ZINC000580999066 564782876 /nfs/dbraw/zinc/78/28/76/564782876.db2.gz FEBYXYUABWDSNA-ZDUSSCGKSA-N 1 0 394.273 2.598 20 0 GFADRO C[N@@H+]1CCC[C@@H]1CNC(=O)NCCc1c[nH]c2cccc(Br)c12 ZINC000555146990 564784442 /nfs/dbraw/zinc/78/44/42/564784442.db2.gz IEDWQRMVSMGSNU-CYBMUJFWSA-N 1 0 379.302 2.866 20 0 GFADRO CCS(=O)(=O)N(C)CCC[NH2+][C@@H](C)Cc1ccc(F)cc1Br ZINC000581034351 564785192 /nfs/dbraw/zinc/78/51/92/564785192.db2.gz VXGBSQCUSWBMCC-LBPRGKRZSA-N 1 0 395.338 2.780 20 0 GFADRO C[N@@H+]1CCCC[C@H]1CCC(=O)NCC(=O)Nc1ccc(Br)cc1 ZINC000581063450 564785763 /nfs/dbraw/zinc/78/57/63/564785763.db2.gz HAFMLOKETKUQIP-HNNXBMFYSA-N 1 0 382.302 2.768 20 0 GFADRO C[C@@H](NC(=O)c1cccs1)C(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000555230237 564787399 /nfs/dbraw/zinc/78/73/99/564787399.db2.gz XOCCSIQHFUAGCH-IUODEOHRSA-N 1 0 379.913 2.939 20 0 GFADRO C[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(-c2ccc(Cl)s2)nc1 ZINC000555274896 564788379 /nfs/dbraw/zinc/78/83/79/564788379.db2.gz BLKSEMHECSKBCF-LBPRGKRZSA-N 1 0 378.885 2.612 20 0 GFADRO C[C@@](O)(C[NH2+]CCc1ccc(I)s1)C(F)(F)F ZINC000581246110 564794696 /nfs/dbraw/zinc/79/46/96/564794696.db2.gz ILFXOFBMMQHTFP-SECBINFHSA-N 1 0 379.185 2.798 20 0 GFADRO CC[C@H]1C[N@H+](C)CCN1C(=O)[C@@H]1CCN(c2cc(Cl)ccc2Cl)C1=O ZINC000581270919 564795550 /nfs/dbraw/zinc/79/55/50/564795550.db2.gz XCRDGMUVOMBLCB-KBPBESRZSA-N 1 0 384.307 2.899 20 0 GFADRO C[C@@H](CC(N)=O)C(=O)N(CC[NH+]1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC000555548848 564796847 /nfs/dbraw/zinc/79/68/47/564796847.db2.gz KQNHKYAIWCWCNA-ZDUSSCGKSA-N 1 0 386.323 2.929 20 0 GFADRO C[C@H]1CN(C(=O)c2cnc(Sc3nccn3C)c(Cl)c2)C[C@H]1[NH+](C)C ZINC000461618614 564800505 /nfs/dbraw/zinc/80/05/05/564800505.db2.gz PGDRBVQEATZMHW-SMDDNHRTSA-N 1 0 379.917 2.642 20 0 GFADRO CC(C)[C@H]1C[NH2+]CCN1C(=O)Nc1ccc2nccnc2c1Br ZINC000528694196 564800578 /nfs/dbraw/zinc/80/05/78/564800578.db2.gz WWHBGQYCMVEREZ-CYBMUJFWSA-N 1 0 378.274 2.854 20 0 GFADRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000581419133 564801352 /nfs/dbraw/zinc/80/13/52/564801352.db2.gz GZRLHSCOEBCYFI-KCXAZCMYSA-N 1 0 382.302 2.530 20 0 GFADRO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)Nc1ccc(Br)c(Cl)c1Cl ZINC000581429442 564802622 /nfs/dbraw/zinc/80/26/22/564802622.db2.gz MCVOHFFBTUVVJL-NKWVEPMBSA-N 1 0 397.100 2.936 20 0 GFADRO COc1cc(C(=O)NC[C@@H](C)C[NH+]2CCCC2)cc(Br)c1OC ZINC000555786784 564804509 /nfs/dbraw/zinc/80/45/09/564804509.db2.gz IYOAPOWHELZNSX-GFCCVEGCSA-N 1 0 385.302 2.928 20 0 GFADRO Cc1cc(Br)cn2cc(CNC(=O)NC[C@@]3(C)CCC[NH2+]C3)nc12 ZINC000581478117 564804712 /nfs/dbraw/zinc/80/47/12/564804712.db2.gz GACXSOKWSLRRGT-KRWDZBQOSA-N 1 0 394.317 2.594 20 0 GFADRO [NH3+]C[C@@H]1CCCN(C(=O)Nc2ccc(I)cc2F)C1 ZINC000581500213 564805444 /nfs/dbraw/zinc/80/54/44/564805444.db2.gz JZZVJNGCWYYVDR-VIFPVBQESA-N 1 0 377.201 2.633 20 0 GFADRO C[C@@H]1C[N@@H+](CCC2CCN(C(=O)[C@@H]3C[C@]3(C)Br)CC2)C[C@H](C)O1 ZINC000528800553 564806403 /nfs/dbraw/zinc/80/64/03/564806403.db2.gz SVTSLTDJZVRBQK-KPEUIFRASA-N 1 0 387.362 2.898 20 0 GFADRO O=C(NC[C@@H](CO)Cc1ccccc1Br)c1ccc2c[nH+]cn2c1 ZINC000581564430 564807794 /nfs/dbraw/zinc/80/77/94/564807794.db2.gz OCWBHBBDHCJPOT-ZDUSSCGKSA-N 1 0 388.265 2.678 20 0 GFADRO Ic1cnn(C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)c1 ZINC000581562896 564807967 /nfs/dbraw/zinc/80/79/67/564807967.db2.gz KMCMFTBMBNXTJD-MRXNPFEDSA-N 1 0 397.260 2.779 20 0 GFADRO C[N@H+](CCNC(=O)[C@@H](c1ccc(Cl)cc1Cl)N1CCOCC1)C1CC1 ZINC000461995198 564810898 /nfs/dbraw/zinc/81/08/98/564810898.db2.gz ZQGNYHUTBGRJQG-QGZVFWFLSA-N 1 0 386.323 2.577 20 0 GFADRO CC[NH+]1CCN(CC(=O)NC2(c3cccc(Br)c3)CCC2)CC1 ZINC000461986303 564810970 /nfs/dbraw/zinc/81/09/70/564810970.db2.gz IUUXVIBQVGHMML-UHFFFAOYSA-N 1 0 380.330 2.582 20 0 GFADRO CCC[C@@H]([NH2+]C(C)C)C(=O)NCCCNC(=O)c1cccc(Br)c1 ZINC000493985007 564815231 /nfs/dbraw/zinc/81/52/31/564815231.db2.gz WQKFJWOMXLTXDG-MRXNPFEDSA-N 1 0 398.345 2.852 20 0 GFADRO COCCOc1cccc(C[NH2+][C@@H](C)Cn2cc(Br)ccc2=O)c1 ZINC000556235720 564815918 /nfs/dbraw/zinc/81/59/18/564815918.db2.gz FYKFDPSPGRPIPN-AWEZNQCLSA-N 1 0 395.297 2.814 20 0 GFADRO Cn1cc(Br)c(=O)c(NC(=O)NC[C@H]2CC[N@@H+]2C2CCCCC2)c1 ZINC000529057669 564816376 /nfs/dbraw/zinc/81/63/76/564816376.db2.gz GYBAINYZJVTRHQ-CYBMUJFWSA-N 1 0 397.317 2.676 20 0 GFADRO COCC[N@H+](CCN1C[C@H]2CC[C@@H](C1)O2)Cc1cc(Br)cs1 ZINC000494107875 564817137 /nfs/dbraw/zinc/81/71/37/564817137.db2.gz NFIILOUJRYOQBJ-GASCZTMLSA-N 1 0 389.359 2.822 20 0 GFADRO CCN(CC)S(=O)(=O)CC[NH2+]Cc1ccc(Br)c(Cl)c1 ZINC000494115669 564817304 /nfs/dbraw/zinc/81/73/04/564817304.db2.gz IKFXFZWEBJQENN-UHFFFAOYSA-N 1 0 383.739 2.864 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H](CNC(=O)Cc2csc(NC(=O)c3cccs3)n2)C1 ZINC000581823647 564818869 /nfs/dbraw/zinc/81/88/69/564818869.db2.gz UAOBAWBGRIYHIR-VXGBXAGGSA-N 1 0 378.523 2.633 20 0 GFADRO CN(C(=O)c1ccn(-c2ccc(Br)cc2)n1)[C@@H]1CCC[N@H+](C)C1 ZINC000556340659 564819607 /nfs/dbraw/zinc/81/96/07/564819607.db2.gz NPVBKKWPQWBBKG-OAHLLOKOSA-N 1 0 377.286 2.801 20 0 GFADRO C[C@@H](CNS(=O)(=O)CCc1ccccc1Br)C[NH+]1CCCC1 ZINC000462103564 564819670 /nfs/dbraw/zinc/81/96/70/564819670.db2.gz PPEZGLPEQGPMAI-AWEZNQCLSA-N 1 0 389.359 2.643 20 0 GFADRO CS(=O)(=O)C1CCC([NH2+]Cc2cccc(I)c2)CC1 ZINC000556388154 564822639 /nfs/dbraw/zinc/82/26/39/564822639.db2.gz QBALKJSADPYFRA-UHFFFAOYSA-N 1 0 393.290 2.737 20 0 GFADRO COc1cc(OC)c(S(=O)(=O)N2CCC3(CC[NH2+]CC3)CC2)cc1Cl ZINC000582002600 564826252 /nfs/dbraw/zinc/82/62/52/564826252.db2.gz VFXYJMSRKAFDDI-UHFFFAOYSA-N 1 0 388.917 2.512 20 0 GFADRO CN(C)[C@@H](C(=O)N1CCSC[C@@H]1c1cnn(C)c1)c1ccc(Cl)cc1 ZINC000582011310 564826923 /nfs/dbraw/zinc/82/69/23/564826923.db2.gz XTGGEPBPWXFUIE-IAGOWNOFSA-N 1 0 378.929 2.993 20 0 GFADRO O=c1cc(C[N@@H+]2CCC[C@H]2[C@@H]2CCCO2)nc2ccc(Br)cn12 ZINC000556520877 564828843 /nfs/dbraw/zinc/82/88/43/564828843.db2.gz OZUDQNXYEJXZJH-GJZGRUSLSA-N 1 0 378.270 2.600 20 0 GFADRO CCCC[N@@H+]1CCCC[C@H]1CNS(=O)(=O)c1ccc(Br)cn1 ZINC000462270372 564830001 /nfs/dbraw/zinc/83/00/01/564830001.db2.gz QBAHJHBBYJYZIV-AWEZNQCLSA-N 1 0 390.347 2.777 20 0 GFADRO O=S(=O)(Cc1cc(Cl)ccc1Br)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000582121951 564831260 /nfs/dbraw/zinc/83/12/60/564831260.db2.gz QSNXBOORWQEGSR-IINYFYTJSA-N 1 0 393.734 2.616 20 0 GFADRO CC1(c2ccc(Br)cc2)CCN(C(=O)NC[C@H]2COCC[NH2+]2)CC1 ZINC000529376281 564831858 /nfs/dbraw/zinc/83/18/58/564831858.db2.gz LKGXBFAZBWCBRT-INIZCTEOSA-N 1 0 396.329 2.501 20 0 GFADRO O=C(NC[C@@H]1COCC[NH2+]1)N1CCCC[C@@H]1Cc1cccc(Br)c1 ZINC000529386514 564833299 /nfs/dbraw/zinc/83/32/99/564833299.db2.gz JPDDCIOXUIAMFT-IAGOWNOFSA-N 1 0 396.329 2.544 20 0 GFADRO C[N@@H+]1CCC[C@H]1[C@@H]1COCCN1C(=O)[C@@H]1C[C@H]1c1csc(Br)c1 ZINC000529427195 564834927 /nfs/dbraw/zinc/83/49/27/564834927.db2.gz QGNLZPMHZFXPPJ-XGUBFFRZSA-N 1 0 399.354 2.936 20 0 GFADRO COC(=O)[C@H](c1ccc(Cl)cc1Cl)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000494703952 564837327 /nfs/dbraw/zinc/83/73/27/564837327.db2.gz RXYXSOQTXADCTH-DYVFJYSZSA-N 1 0 387.307 2.862 20 0 GFADRO O=C(CC[C@H]1CCC[NH2+]1)N1CCN(Cc2ccc(Br)s2)CC1 ZINC000494714227 564837823 /nfs/dbraw/zinc/83/78/23/564837823.db2.gz WHCSPANOWJIQBW-CYBMUJFWSA-N 1 0 386.359 2.687 20 0 GFADRO COc1cc(I)ccc1NC(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000582301252 564839614 /nfs/dbraw/zinc/83/96/14/564839614.db2.gz ZBDWDMJTCBGCLT-DTWKUNHWSA-N 1 0 377.226 2.547 20 0 GFADRO COCCC[N@H+](C)CCNC(=O)N(C)Cc1ccc(Br)c(F)c1 ZINC000494818257 564840874 /nfs/dbraw/zinc/84/08/74/564840874.db2.gz CEXLOQLGVCMQAU-UHFFFAOYSA-N 1 0 390.297 2.698 20 0 GFADRO O=C(Nc1ccc(I)cc1F)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000582312572 564841018 /nfs/dbraw/zinc/84/10/18/564841018.db2.gz CKEJTLOAKSJONW-NSHDSACASA-N 1 0 389.212 2.789 20 0 GFADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@@H](C)c2ncc(Br)cn2)C1 ZINC000582338112 564841550 /nfs/dbraw/zinc/84/15/50/564841550.db2.gz JOIOBOADMDBHNC-STQMWFEESA-N 1 0 384.322 2.673 20 0 GFADRO O=S(=O)(NCCn1ccnc1)c1ccc(Br)c(C(F)(F)F)c1 ZINC000462477985 564842744 /nfs/dbraw/zinc/84/27/44/564842744.db2.gz ATRQEBNMVMNRMW-UHFFFAOYSA-N 1 0 398.204 2.643 20 0 GFADRO COc1ccc(Br)c(CC(=O)NC[C@@]2([NH+](C)C)CCSC2)c1 ZINC000494891465 564843067 /nfs/dbraw/zinc/84/30/67/564843067.db2.gz JDVQWCAUTNJZGE-INIZCTEOSA-N 1 0 387.343 2.554 20 0 GFADRO Cc1cc(Br)cc(C)c1S(=O)(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000462496668 564843513 /nfs/dbraw/zinc/84/35/13/564843513.db2.gz SGKNNPXTSFHYBE-TZMCWYRMSA-N 1 0 375.332 2.827 20 0 GFADRO C[C@H](NC(=O)NCc1cc(Br)cc2c1OCC2)[C@@H]1CCC[NH2+]C1 ZINC000582409877 564845533 /nfs/dbraw/zinc/84/55/33/564845533.db2.gz BPLFBGQNZDZIDE-WCQYABFASA-N 1 0 382.302 2.571 20 0 GFADRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1cc(Br)cnc1OCC1CC1 ZINC000556898480 564845966 /nfs/dbraw/zinc/84/59/66/564845966.db2.gz GGDLDRSBFVQXEE-BDJLRTHQSA-N 1 0 394.313 2.845 20 0 GFADRO Cc1ccc(Br)c(S(=O)(=O)NCC[NH2+][C@@H]2C[C@H](C)[C@H]2C)c1 ZINC000494998867 564846100 /nfs/dbraw/zinc/84/61/00/564846100.db2.gz MUDDWNWWMTYMLS-OUCADQQQSA-N 1 0 375.332 2.670 20 0 GFADRO O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccccc1C(=O)c1ccc(Br)cc1 ZINC000495120651 564848980 /nfs/dbraw/zinc/84/89/80/564848980.db2.gz NQGQKYIRHZRKLA-FVQHAEBGSA-N 1 0 385.261 2.628 20 0 GFADRO C[C@@H]1C[C@@H]([NH3+])CCN1S(=O)(=O)c1cc(Cl)c(Br)cc1F ZINC000582494978 564849377 /nfs/dbraw/zinc/84/93/77/564849377.db2.gz RICHVUSEFMBAMF-SFYZADRCSA-N 1 0 385.686 2.742 20 0 GFADRO O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccccc1OCc1ccc(Br)cc1 ZINC000495162973 564850737 /nfs/dbraw/zinc/85/07/37/564850737.db2.gz FUMFRATYQJUVIA-VQFNDLOPSA-N 1 0 387.277 2.976 20 0 GFADRO O=C(NCc1cc(Br)cc2c1OCC2)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000582535690 564850957 /nfs/dbraw/zinc/85/09/57/564850957.db2.gz DIAFWTBBYLRECZ-GOSISDBHSA-N 1 0 394.313 2.669 20 0 GFADRO COC(=O)c1cc(Br)cc(C(=O)N2CCCC23CC[NH+](C)CC3)c1 ZINC000462593947 564851003 /nfs/dbraw/zinc/85/10/03/564851003.db2.gz QOSUHSIANJIOGD-UHFFFAOYSA-N 1 0 395.297 2.936 20 0 GFADRO CS[C@H]1CN(C(=O)Cc2csc(-n3c(C)ccc3C)n2)C[C@H]1[NH+](C)C ZINC000495566848 564855476 /nfs/dbraw/zinc/85/54/76/564855476.db2.gz ZTDXVOPQDKPPRM-CVEARBPZSA-N 1 0 378.567 2.597 20 0 GFADRO CC1([NH+]2CCOCC2)CCN(C(=O)[C@H](O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000529908113 564855912 /nfs/dbraw/zinc/85/59/12/564855912.db2.gz CPKKJEURYGMZMR-MRXNPFEDSA-N 1 0 387.307 2.740 20 0 GFADRO COc1ccc(Br)cc1CC(=O)N1C[C@@H](SC)[C@@H]([NH+](C)C)C1 ZINC000495674344 564855954 /nfs/dbraw/zinc/85/59/54/564855954.db2.gz ZROXJRQXHYMSGY-DZGCQCFKSA-N 1 0 387.343 2.504 20 0 GFADRO O=S(=O)(CC[NH2+][C@@H]1CCCc2ccc(Cl)cc21)NC[C@@H]1CCCCO1 ZINC000557269044 564859517 /nfs/dbraw/zinc/85/95/17/564859517.db2.gz UFHAWUYNZDYAPH-FUHWJXTLSA-N 1 0 386.945 2.796 20 0 GFADRO CS(=O)(=O)[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc(Br)cc2c1OCC2 ZINC000462833482 564859750 /nfs/dbraw/zinc/85/97/50/564859750.db2.gz IYJQOLAVZOKDPR-LSDHHAIUSA-N 1 0 388.327 2.829 20 0 GFADRO Cn1c2cc(Cl)ccc2nc1C[NH2+]C[C@@H]1CS(=O)(=O)c2ccccc21 ZINC000582766004 564860712 /nfs/dbraw/zinc/86/07/12/564860712.db2.gz PITYDDVILRHJTP-GFCCVEGCSA-N 1 0 375.881 2.887 20 0 GFADRO O=C(N[C@@H]1C[C@H]1C1CC[NH2+]CC1)c1c(F)cccc1I ZINC000462895707 564862348 /nfs/dbraw/zinc/86/23/48/564862348.db2.gz LIOZFGJGVHVNCI-GXFFZTMASA-N 1 0 388.224 2.548 20 0 GFADRO O=C(Cn1cc(Br)cn1)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000497050741 564862473 /nfs/dbraw/zinc/86/24/73/564862473.db2.gz VNWNKMAHDLDECZ-UHFFFAOYSA-N 1 0 383.334 2.760 20 0 GFADRO C[C@@H](NS(=O)(=O)c1c(Cl)cc(F)cc1Br)[C@@H]1CCC[NH2+]C1 ZINC000497354046 564865613 /nfs/dbraw/zinc/86/56/13/564865613.db2.gz AEJAKSDAWKSSTH-RKDXNWHRSA-N 1 0 399.713 2.908 20 0 GFADRO Cc1nc(C(=O)Nc2cc(Br)ccc2N2CC[N@@H+](C)C[C@@H]2C)c[nH]1 ZINC000582889150 564866040 /nfs/dbraw/zinc/86/60/40/564866040.db2.gz WSTSIQCRKALBLB-NSHDSACASA-N 1 0 392.301 2.873 20 0 GFADRO C[N@@H+]1CC[C@H]2CCN(C(=O)NCCc3ccc(F)c(Br)c3)[C@H]2C1 ZINC000497406012 564866652 /nfs/dbraw/zinc/86/66/52/564866652.db2.gz DCJKTQLHPQIYNM-BBRMVZONSA-N 1 0 384.293 2.866 20 0 GFADRO CC[N@@H+]1CCN(C(=O)CCNC(=O)Nc2ccc(Br)cc2)[C@@H](C)C1 ZINC000557538216 564867046 /nfs/dbraw/zinc/86/70/46/564867046.db2.gz YJRSYKXXIHUTLY-ZDUSSCGKSA-N 1 0 397.317 2.513 20 0 GFADRO CS(=O)(=O)N(CC(F)(F)F)C1CC[NH+](CCCc2ccccc2)CC1 ZINC000497421501 564867460 /nfs/dbraw/zinc/86/74/60/564867460.db2.gz XCAGKTFEFMMNOW-UHFFFAOYSA-N 1 0 378.460 2.908 20 0 GFADRO CC[NH+]1CCN([C@H]2CCN(Cc3nc4ccc(Br)cc4o3)C2)CC1 ZINC000463075917 564869204 /nfs/dbraw/zinc/86/92/04/564869204.db2.gz GPSFHJBGSPRAND-HNNXBMFYSA-N 1 0 393.329 2.802 20 0 GFADRO C[C@@H](O)C[N@@H+]1CCN(c2ccc(Br)c(C(F)(F)F)n2)[C@H](C)C1 ZINC000557658071 564871650 /nfs/dbraw/zinc/87/16/50/564871650.db2.gz ZLFIBLQRNFXNHL-NXEZZACHSA-N 1 0 382.224 2.754 20 0 GFADRO CN1C(=O)c2ccccc2[C@H]1C[NH2+]C[C@@H](O)c1ccc(Br)cc1 ZINC000530242535 564873034 /nfs/dbraw/zinc/87/30/34/564873034.db2.gz GJYPBNRXCWGJAO-IAGOWNOFSA-N 1 0 375.266 2.899 20 0 GFADRO CC(C)[C@H]1C[NH2+]CCN1Cc1csc(-c2ccc(S(C)(=O)=O)cc2)n1 ZINC000530228821 564873109 /nfs/dbraw/zinc/87/31/09/564873109.db2.gz FWPLGLIUCSODHG-QGZVFWFLSA-N 1 0 379.551 2.643 20 0 GFADRO C[C@H](C(=O)NCC1([NH+]2CCSCC2)CCCCC1)N(C)CC(F)(F)F ZINC000497744085 564874614 /nfs/dbraw/zinc/87/46/14/564874614.db2.gz BPINFKCBKHBNHT-CQSZACIVSA-N 1 0 381.508 2.737 20 0 GFADRO CO[C@@H]1CCN(C(=O)c2ccc(Br)cc2OC(C)C)[C@H](C[NH3+])C1 ZINC000583079391 564874872 /nfs/dbraw/zinc/87/48/72/564874872.db2.gz YVMOJLQYDXVUJX-UONOGXRCSA-N 1 0 385.302 2.815 20 0 GFADRO Cc1cc(C)c(C(=O)NCC[N@H+]2CC[C@H](C)C2)cc1I ZINC000530299702 564874947 /nfs/dbraw/zinc/87/49/47/564874947.db2.gz LONXSGLUTSWDDW-NSHDSACASA-N 1 0 386.277 2.980 20 0 GFADRO O=C([C@@H]1CCc2cc(Br)ccc21)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000583085523 564875406 /nfs/dbraw/zinc/87/54/06/564875406.db2.gz GRSCOBJVHQLGCI-KBXCAEBGSA-N 1 0 393.325 2.660 20 0 GFADRO CO[C@@H]([C@@H](C)[NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1)C1CC1 ZINC000583140052 564877239 /nfs/dbraw/zinc/87/72/39/564877239.db2.gz JXXURAMKOHOPKD-HQQWDMGQSA-N 1 0 376.266 2.731 20 0 GFADRO C[C@@H](NC(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1)c1cc(F)c(Cl)cc1Cl ZINC000583139577 564877304 /nfs/dbraw/zinc/87/73/04/564877304.db2.gz UPLZJHIHXFFWAS-NXEZZACHSA-N 1 0 386.258 2.967 20 0 GFADRO Cc1nc(CNC(=O)NC[C@H]2[NH2+]CCc3ccccc32)sc1Br ZINC000583133306 564877616 /nfs/dbraw/zinc/87/76/16/564877616.db2.gz ISKQPCWRQUJXIC-CYBMUJFWSA-N 1 0 395.326 2.900 20 0 GFADRO Cc1c(Br)ccnc1NC(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000583132580 564877738 /nfs/dbraw/zinc/87/77/38/564877738.db2.gz AFEZVBAYBSETCZ-GFCCVEGCSA-N 1 0 385.306 2.775 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)c2cnnn2-c2c(Cl)cccc2Cl)C[N@@H+]1C1CC1 ZINC000530425722 564880575 /nfs/dbraw/zinc/88/05/75/564880575.db2.gz GFIFRXLEXBDRFE-GHMZBOCLSA-N 1 0 380.279 2.929 20 0 GFADRO C[N@@H+]1CCC[C@@H]2CN(S(=O)(=O)Cc3cccc(Br)c3)CC[C@H]21 ZINC000557845754 564881686 /nfs/dbraw/zinc/88/16/86/564881686.db2.gz WANIMCKVJHXOES-GDBMZVCRSA-N 1 0 387.343 2.695 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)N1CC[N@H+](C[C@H](C)O)C[C@@H]1C ZINC000498128335 564890384 /nfs/dbraw/zinc/89/03/84/564890384.db2.gz APMMGXWGLBFULY-STQMWFEESA-N 1 0 384.318 2.930 20 0 GFADRO COCC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)c2ccc(Br)c(C)c2)C1 ZINC000583411583 564890299 /nfs/dbraw/zinc/89/02/99/564890299.db2.gz QTIRKSBFRXUOAR-OAHLLOKOSA-N 1 0 383.330 2.872 20 0 GFADRO C[C@H]1c2c(Cl)cc(Cl)cc2CCN1C(=O)C(=O)N1CCC[C@H](C[NH3+])C1 ZINC000583434981 564891012 /nfs/dbraw/zinc/89/10/12/564891012.db2.gz WZWLOIFHHWBCMM-NWDGAFQWSA-N 1 0 384.307 2.636 20 0 GFADRO Cc1cc(C)c(NC(=O)N2CC[N@@H+](C[C@@H](C)O)C[C@@H]2C)c(Br)c1 ZINC000498193594 564891234 /nfs/dbraw/zinc/89/12/34/564891234.db2.gz AJOUHYDKMAVZQO-UONOGXRCSA-N 1 0 384.318 2.985 20 0 GFADRO CC(C)(C)[C@H](O)C[NH+]1CCN(C(=O)COc2ccc(Cl)cc2Cl)CC1 ZINC000583458697 564892908 /nfs/dbraw/zinc/89/29/08/564892908.db2.gz RIULIMBSFXZWPE-MRXNPFEDSA-N 1 0 389.323 2.923 20 0 GFADRO Cn1cc(Br)cc(NC(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)c1=O ZINC000530722327 564893056 /nfs/dbraw/zinc/89/30/56/564893056.db2.gz ZXXYPQRLIIYERE-AWEZNQCLSA-N 1 0 397.317 2.630 20 0 GFADRO C[C@@H]1CC[N@H+](CCNC(=O)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000530806151 564895079 /nfs/dbraw/zinc/89/50/79/564895079.db2.gz IAPKQLUZMKMRGM-SNVBAGLBSA-N 1 0 377.794 2.755 20 0 GFADRO CC[NH+](CC)[C@H](CNC(=O)[C@H]1CS[C@]2(C)CCC(=O)N12)c1ccsc1 ZINC000498350160 564896891 /nfs/dbraw/zinc/89/68/91/564896891.db2.gz RNXIPIUCVNZBDX-IIDMSEBBSA-N 1 0 381.567 2.701 20 0 GFADRO Cc1nn(C(C)C)c(C)c1S(=O)(=O)N(CC[NH+](C)C)Cc1cccs1 ZINC000530975066 564898983 /nfs/dbraw/zinc/89/89/83/564898983.db2.gz SHXRJGDPFIELPI-UHFFFAOYSA-N 1 0 384.571 2.895 20 0 GFADRO Brc1cncc(Br)c1C[NH2+][C@H]1CCc2c[nH]nc2C1 ZINC000583596462 564898955 /nfs/dbraw/zinc/89/89/55/564898955.db2.gz MRMZUBQHJARWDH-VIFPVBQESA-N 1 0 386.091 2.977 20 0 GFADRO CCCOc1c(Br)cc(C[N@H+](C)[C@@H]2COC[C@H]2O)cc1OCC ZINC000558408914 564899540 /nfs/dbraw/zinc/89/95/40/564899540.db2.gz KBIYWASNVLLYDL-HUUCEWRRSA-N 1 0 388.302 2.828 20 0 GFADRO CN(C[C@H]1CCC[N@H+](Cc2cnc(-c3ccsc3)s2)C1)S(C)(=O)=O ZINC000558414246 564899590 /nfs/dbraw/zinc/89/95/90/564899590.db2.gz ZDSVUJGRRZCCQA-CYBMUJFWSA-N 1 0 385.580 2.975 20 0 GFADRO CC1(C[NH2+][C@H]2CCCN(S(=O)(=O)c3ccc(Br)cc3)C2)CC1 ZINC000583669393 564901529 /nfs/dbraw/zinc/90/15/29/564901529.db2.gz VDFLYPMEFBRXBC-AWEZNQCLSA-N 1 0 387.343 2.992 20 0 GFADRO COc1cc(Br)c(F)cc1S(=O)(=O)N[C@@H](C)C[N@H+](C)C(C)C ZINC000583662015 564901545 /nfs/dbraw/zinc/90/15/45/564901545.db2.gz LODBIWJCGDLLNB-JTQLQIEISA-N 1 0 397.310 2.604 20 0 GFADRO CC[N@@H+]1C[C@H](C)N(C(=O)CCNC(=O)c2ccc(Br)cc2)C[C@@H]1C ZINC000498572242 564902900 /nfs/dbraw/zinc/90/29/00/564902900.db2.gz YHODWALDDSHTIS-KBPBESRZSA-N 1 0 396.329 2.510 20 0 GFADRO COC[C@@H](C)OC[C@H](O)C[NH2+]CC1(c2cccc(Br)c2)CCC1 ZINC000583688614 564903072 /nfs/dbraw/zinc/90/30/72/564903072.db2.gz RWQYZCMGUBISKL-RHSMWYFYSA-N 1 0 386.330 2.873 20 0 GFADRO Cc1cc(N2C[C@H](C(=O)N[C@H](C)CC[NH+](C)C)CC2=O)ccc1Br ZINC000498644667 564904085 /nfs/dbraw/zinc/90/40/85/564904085.db2.gz GWOGMTZCVAILQQ-ZIAGYGMSSA-N 1 0 396.329 2.567 20 0 GFADRO COc1ncc([C@@H](C)[NH2+]C[C@@H]2CS(=O)(=O)c3ccccc3O2)cc1Cl ZINC000583811972 564908773 /nfs/dbraw/zinc/90/87/73/564908773.db2.gz JQSWJNGSTTWGEU-DGCLKSJQSA-N 1 0 382.869 2.629 20 0 GFADRO CC[NH2+]CC1CCN(S(=O)(=O)c2cc(C)c(Br)cc2F)CC1 ZINC000583811969 564909099 /nfs/dbraw/zinc/90/90/99/564909099.db2.gz JPIGAUIZYVRDIX-UHFFFAOYSA-N 1 0 393.322 2.907 20 0 GFADRO COC(=O)c1cc(Br)cc(C(=O)NC[C@H](CC(C)C)[NH+](C)C)c1 ZINC000464554166 564910961 /nfs/dbraw/zinc/91/09/61/564910961.db2.gz LOSULMCUKJQVKK-HNNXBMFYSA-N 1 0 385.302 2.942 20 0 GFADRO CC[NH+](CC)C[C@H](C)NC(=O)NCC(=O)Nc1cc(Br)ccc1C ZINC000531485069 564911783 /nfs/dbraw/zinc/91/17/83/564911783.db2.gz IGDFXAIKQUPFLZ-ZDUSSCGKSA-N 1 0 399.333 2.726 20 0 GFADRO CN(C)S(=O)(=O)CC[NH2+][C@@H]1CCc2c1cc(Cl)cc2Br ZINC000583901745 564912005 /nfs/dbraw/zinc/91/20/05/564912005.db2.gz QNXXMKNOWUOFAF-CYBMUJFWSA-N 1 0 381.723 2.571 20 0 GFADRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C1=Cc2cc(Br)ccc2OC1 ZINC000531569693 564913898 /nfs/dbraw/zinc/91/38/98/564913898.db2.gz DHDVRHIYGYVXOS-BZNIZROVSA-N 1 0 377.282 2.824 20 0 GFADRO CCS[C@@H]1CC[C@H]([N@H+](C)CC(=O)Nc2ccccc2SCC(N)=O)C1 ZINC000464768319 564917303 /nfs/dbraw/zinc/91/73/03/564917303.db2.gz BRSGDJLNYIPPPM-UONOGXRCSA-N 1 0 381.567 2.809 20 0 GFADRO CCN1CC[C@H]([NH2+]CCCNS(=O)(=O)CC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000558894282 564917437 /nfs/dbraw/zinc/91/74/37/564917437.db2.gz GJOZFPZDPLUAOC-IRXDYDNUSA-N 1 0 391.940 2.533 20 0 GFADRO CCN1CC[C@@H]([NH2+]CCCNS(=O)(=O)CC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000558894281 564917787 /nfs/dbraw/zinc/91/77/87/564917787.db2.gz GJOZFPZDPLUAOC-IAGOWNOFSA-N 1 0 391.940 2.533 20 0 GFADRO CC[C@H](CO)[NH+]1CCN(Cc2nnc(-c3c(Cl)cccc3Cl)o2)CC1 ZINC000464760595 564917839 /nfs/dbraw/zinc/91/78/39/564917839.db2.gz IXAOUKRJPCYWBH-GFCCVEGCSA-N 1 0 385.295 2.932 20 0 GFADRO C[C@@H](NC(=O)C[N@@H+]1CCC[C@@]2(CNC(=O)C2)C1)c1ccc(Cl)cc1Cl ZINC000464803093 564918195 /nfs/dbraw/zinc/91/81/95/564918195.db2.gz VYLOFHKIEFRADT-KZULUSFZSA-N 1 0 384.307 2.773 20 0 GFADRO C[C@H](C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1)[N@@H+]1C[C@H](C)[C@H](C)C1 ZINC000464853521 564919745 /nfs/dbraw/zinc/91/97/45/564919745.db2.gz SDHGOIVZPQXPBJ-FRRDWIJNSA-N 1 0 387.933 2.505 20 0 GFADRO CC(C)C[N@@H+]1CC[C@H](CNc2ccc(S(N)(=O)=O)c(C(F)(F)F)c2)C1 ZINC000465056881 564922019 /nfs/dbraw/zinc/92/20/19/564922019.db2.gz FFKLNHDCGPFCKU-GFCCVEGCSA-N 1 0 379.448 2.743 20 0 GFADRO C[C@H]1CC[N@H+](CCNC(=O)c2cc(F)c(F)cc2I)C1 ZINC000531864613 564922906 /nfs/dbraw/zinc/92/29/06/564922906.db2.gz RBSQGHRTQVCBJX-VIFPVBQESA-N 1 0 394.203 2.641 20 0 GFADRO CN(Cc1ccc(Br)cc1Cl)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000584221866 564925801 /nfs/dbraw/zinc/92/58/01/564925801.db2.gz AKLAEDQJEKNTQX-CYBMUJFWSA-N 1 0 390.709 2.622 20 0 GFADRO O=C1CCCN1CCC[NH+]1CCN(Cc2ccc(Br)cc2)CC1 ZINC000531982161 564926172 /nfs/dbraw/zinc/92/61/72/564926172.db2.gz HDVLYRKKZLKALJ-UHFFFAOYSA-N 1 0 380.330 2.579 20 0 GFADRO CC(C)CN(CC[NH+](C)C)C(=O)C(=O)N[C@H](C)c1ccc(Br)cc1 ZINC000559383731 564932300 /nfs/dbraw/zinc/93/23/00/564932300.db2.gz LZZMDHNNMYYNSZ-CQSZACIVSA-N 1 0 398.345 2.673 20 0 GFADRO O=S1(=O)CCC(O)(C[N@H+](Cc2ccccc2C(F)(F)F)C2CC2)CC1 ZINC000532281597 564933351 /nfs/dbraw/zinc/93/33/51/564933351.db2.gz CLFKYAIELUUNBR-UHFFFAOYSA-N 1 0 377.428 2.610 20 0 GFADRO C[C@H](CNC(=O)NC[C@H](C)[N@H+](C)C1CC1)Oc1ccc(Br)cc1 ZINC000465905732 564933797 /nfs/dbraw/zinc/93/37/97/564933797.db2.gz ZGMBVIXLENSWHI-QWHCGFSZSA-N 1 0 384.318 2.998 20 0 GFADRO CCN(CCOc1ccc(Br)cc1)C(=O)NCC[N@H+](C)C1CC1 ZINC000465929940 564933841 /nfs/dbraw/zinc/93/38/41/564933841.db2.gz SRFVKNBUKGNVQB-UHFFFAOYSA-N 1 0 384.318 2.954 20 0 GFADRO C[C@@H](NC(=O)N[C@@H](C)C[NH+](C)C)c1nc(-c2ccc(Br)cc2)no1 ZINC000499705170 564934396 /nfs/dbraw/zinc/93/43/96/564934396.db2.gz BEFWNKFGUDXCMH-WDEREUQCSA-N 1 0 396.289 2.809 20 0 GFADRO COc1ccc(Br)cc1CNC(=O)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000466279929 564936530 /nfs/dbraw/zinc/93/65/30/564936530.db2.gz VGHLWMJOZGUBIZ-NHYWBVRUSA-N 1 0 382.302 2.740 20 0 GFADRO COc1ccc(Br)cc1CNC(=O)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000466279927 564936864 /nfs/dbraw/zinc/93/68/64/564936864.db2.gz VGHLWMJOZGUBIZ-ABAIWWIYSA-N 1 0 382.302 2.740 20 0 GFADRO CC(=O)N1CCC([NH2+][C@H](C)CC(=O)Nc2cccc(Br)c2)CC1 ZINC000532454739 564938371 /nfs/dbraw/zinc/93/83/71/564938371.db2.gz IYNNOVDEHOLHEJ-GFCCVEGCSA-N 1 0 382.302 2.767 20 0 GFADRO C[N@@H+]1CCC[C@H](CNC(=O)C(=O)NCc2ccsc2)[C@@H]1c1cccs1 ZINC000559730308 564938994 /nfs/dbraw/zinc/93/89/94/564938994.db2.gz NNGFAIYEANFJBZ-GDBMZVCRSA-N 1 0 377.535 2.625 20 0 GFADRO CC(C)(C)c1n[nH]cc1C[NH2+]CCCNS(=O)(=O)c1ccccc1Cl ZINC000466382734 564939945 /nfs/dbraw/zinc/93/99/45/564939945.db2.gz YWWGRAUFNUAREC-UHFFFAOYSA-N 1 0 384.933 2.819 20 0 GFADRO CC[NH+]1CCN([C@H](C)CNC(=O)c2c(C)ccc(Br)c2C)CC1 ZINC000559795790 564940686 /nfs/dbraw/zinc/94/06/86/564940686.db2.gz PLNFKXYZUNNTTH-CQSZACIVSA-N 1 0 382.346 2.822 20 0 GFADRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NCc1c(Cl)cccc1Cl ZINC000559800165 564940774 /nfs/dbraw/zinc/94/07/74/564940774.db2.gz DMIANVNNMSJOGQ-CHWSQXEVSA-N 1 0 386.323 2.846 20 0 GFADRO C[NH+](C)C(C)(C)CNC(=O)C1(c2ccc(I)cc2)CC1 ZINC000499932867 564941246 /nfs/dbraw/zinc/94/12/46/564941246.db2.gz AVSPMMKUVFKIQB-UHFFFAOYSA-N 1 0 386.277 2.779 20 0 GFADRO C[N@@H+]1CC[C@](O)(CN[C@@H](c2ccc(Br)o2)c2ccc(F)cc2)C1 ZINC000559843259 564941447 /nfs/dbraw/zinc/94/14/47/564941447.db2.gz SLLYBPNSTKKRKJ-SJORKVTESA-N 1 0 383.261 2.927 20 0 GFADRO O=C(NCCC[NH+]1CCCC1)N1CCN(c2cccc(Br)c2)CC1 ZINC000560078132 564948822 /nfs/dbraw/zinc/94/88/22/564948822.db2.gz NAHRLSHBWPZNNJ-UHFFFAOYSA-N 1 0 395.345 2.767 20 0 GFADRO CC(C)(C)[C@@H](O)C[C@@H](CO)[NH2+]Cc1cccc(I)c1 ZINC000560093935 564949508 /nfs/dbraw/zinc/94/95/08/564949508.db2.gz GLCWBAQIJQUUQH-KBPBESRZSA-N 1 0 377.266 2.539 20 0 GFADRO [NH3+]CCN(CCS(=O)(=O)c1cccc(Br)c1)Cc1ccccc1 ZINC000466978403 564951940 /nfs/dbraw/zinc/95/19/40/564951940.db2.gz FSCBWUOPYPWHCM-UHFFFAOYSA-N 1 0 397.338 2.684 20 0 GFADRO O=c1cc(C[NH2+]C2(CCO)CCCCC2)nc2ccc(Br)cn12 ZINC000533068584 564952616 /nfs/dbraw/zinc/95/26/16/564952616.db2.gz XARYILVUAXXINO-UHFFFAOYSA-N 1 0 380.286 2.632 20 0 GFADRO C[C@H](CNC(=O)C(=O)NCC1([NH+](C)C)CCC1)c1c(Cl)cccc1Cl ZINC000500436242 564953867 /nfs/dbraw/zinc/95/38/67/564953867.db2.gz QKDYQIIJDPOAGJ-GFCCVEGCSA-N 1 0 386.323 2.814 20 0 GFADRO O=C(C[NH2+]Cc1cncc(Br)c1)N[C@@H]1CCOc2ccccc21 ZINC000500540766 564957207 /nfs/dbraw/zinc/95/72/07/564957207.db2.gz ZIIWBTCRTGZEDX-OAHLLOKOSA-N 1 0 376.254 2.574 20 0 GFADRO O=C(Nc1cc(Cl)ccc1Cl)N1CC[NH+]([C@H]2CCNC(=O)CC2)CC1 ZINC000560384096 564959291 /nfs/dbraw/zinc/95/92/91/564959291.db2.gz IOSQNQWVFUYKOX-CYBMUJFWSA-N 1 0 385.295 2.812 20 0 GFADRO COC(C)(C)C[N@H+](C)CC(=O)Nc1cccc(I)c1 ZINC000533479326 564964288 /nfs/dbraw/zinc/96/42/88/564964288.db2.gz TWCNSQKGQRLLFK-UHFFFAOYSA-N 1 0 376.238 2.587 20 0 GFADRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000560488624 564965784 /nfs/dbraw/zinc/96/57/84/564965784.db2.gz KWADJECKZRJGIT-CZUORRHYSA-N 1 0 391.313 2.516 20 0 GFADRO CCOc1c(Cl)cc(NC(=O)C(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)cc1Cl ZINC000467570574 564967244 /nfs/dbraw/zinc/96/72/44/564967244.db2.gz TWNYJVOZAKTRDV-MNOVXSKESA-N 1 0 388.295 2.930 20 0 GFADRO O=C(NC[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1)c1cscc1Br ZINC000560614998 564969916 /nfs/dbraw/zinc/96/99/16/564969916.db2.gz KLWPRLPAGYTQDB-KBPBESRZSA-N 1 0 395.322 2.876 20 0 GFADRO CN(CCC[NH+]1CCCC1)C(=O)Cc1cc2c(cc1Br)OCCO2 ZINC000467680194 564970100 /nfs/dbraw/zinc/97/01/00/564970100.db2.gz IABJKQNIXKBIHO-UHFFFAOYSA-N 1 0 397.313 2.707 20 0 GFADRO O=C(NCCNc1cc[nH+]cc1)c1cnn(-c2ccc(Cl)cc2Cl)c1 ZINC000533812928 564973303 /nfs/dbraw/zinc/97/33/03/564973303.db2.gz QQQYVULRFHPZTE-UHFFFAOYSA-N 1 0 376.247 2.838 20 0 GFADRO CCn1c(SCC(=O)N[C@H](C)C[NH+](CC)CC)nnc1-c1cccs1 ZINC000501238482 564974544 /nfs/dbraw/zinc/97/45/44/564974544.db2.gz IKMZVTYMWFXQPB-CYBMUJFWSA-N 1 0 381.571 2.965 20 0 GFADRO C[N@H+](CC(=O)N[C@@H](c1cncc(Br)c1)C1CC1)[C@@H]1CCSC1 ZINC000501305426 564976525 /nfs/dbraw/zinc/97/65/25/564976525.db2.gz HEQQBBSQYWNOJI-GDBMZVCRSA-N 1 0 384.343 2.849 20 0 GFADRO C[N@@H+]1CCCC[C@H]1CCC(=O)NC[C@@H](O)COc1ccccc1Br ZINC000501358896 564977923 /nfs/dbraw/zinc/97/79/23/564977923.db2.gz BNFCCAZEVCWPBW-LSDHHAIUSA-N 1 0 399.329 2.570 20 0 GFADRO CCCC[N@H+](C)CCNC(=O)C(=O)NCc1c(C)cc(Br)cc1C ZINC000560887807 564979507 /nfs/dbraw/zinc/97/95/07/564979507.db2.gz KXUYACNBGHXLKI-UHFFFAOYSA-N 1 0 398.345 2.530 20 0 GFADRO CS[C@@H]1CN(C(=O)C2(c3ccccc3Cl)CCOCC2)C[C@H]1[NH+](C)C ZINC000534093302 564979585 /nfs/dbraw/zinc/97/95/85/564979585.db2.gz IXVRMSRWTWDKNG-IAGOWNOFSA-N 1 0 382.957 2.892 20 0 GFADRO CC(C)c1cc(Br)ccc1NC(=O)C(=O)N[C@H](C)CC[NH+](C)C ZINC000534099456 564979644 /nfs/dbraw/zinc/97/96/44/564979644.db2.gz NRCLVGOHNZBNEF-GFCCVEGCSA-N 1 0 384.318 2.967 20 0 GFADRO CCn1c2ccccc2nc1SCC(=O)N1C[C@H](SC)[C@@H]([NH+](C)C)C1 ZINC000534093276 564979776 /nfs/dbraw/zinc/97/97/76/564979776.db2.gz GZBNGDVDHQOKRO-HOTGVXAUSA-N 1 0 378.567 2.652 20 0 GFADRO O=C(NC[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1)c1csc(Br)c1 ZINC000534103889 564979803 /nfs/dbraw/zinc/97/98/03/564979803.db2.gz MAUQERPSDZADBI-GJZGRUSLSA-N 1 0 395.322 2.876 20 0 GFADRO COCC[N@@H+]1CC[C@H](NC(=O)CSCc2ccc(Br)cc2)C1 ZINC000561060732 564982432 /nfs/dbraw/zinc/98/24/32/564982432.db2.gz RBUCFLZLPFOOHA-HNNXBMFYSA-N 1 0 387.343 2.519 20 0 GFADRO CCc1n[nH]c(C(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)c1Br ZINC000468508708 564984861 /nfs/dbraw/zinc/98/48/61/564984861.db2.gz VYLLYTDGUQTAFN-CYBMUJFWSA-N 1 0 379.302 2.637 20 0 GFADRO CCC[N@H+](CCc1cccs1)Cc1cnn([C@@]2(C)CCS(=O)(=O)C2)c1 ZINC000468542659 564985566 /nfs/dbraw/zinc/98/55/66/564985566.db2.gz LIZVPUSXRJRYQI-SFHVURJKSA-N 1 0 381.567 2.933 20 0 GFADRO O=C(NC1CC[NH+](Cc2ccncc2)CC1)c1ncsc1Br ZINC000561158315 564986280 /nfs/dbraw/zinc/98/62/80/564986280.db2.gz DEAZNVDMDOVGFL-UHFFFAOYSA-N 1 0 381.299 2.695 20 0 GFADRO C[C@@H](O)C[N@@H+]1CCN(Cc2nnc(-c3c(Cl)cccc3Cl)o2)[C@@H](C)C1 ZINC000501947854 564988853 /nfs/dbraw/zinc/98/88/53/564988853.db2.gz PFOPLUCFUKIQFZ-NWDGAFQWSA-N 1 0 385.295 2.930 20 0 GFADRO O=C(NCCNc1cc[nH+]cc1)NCCc1nc2cc(Cl)ccc2s1 ZINC000534529219 564991801 /nfs/dbraw/zinc/99/18/01/564991801.db2.gz BNPGPZUYSMVQDA-UHFFFAOYSA-N 1 0 375.885 2.720 20 0 GFADRO COC(=O)c1csc(S(=O)(=O)NCC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)c1 ZINC000502191578 564994313 /nfs/dbraw/zinc/99/43/13/564994313.db2.gz AQGOXPMOSXYSBQ-CHWSQXEVSA-N 1 0 388.555 2.570 20 0 GFADRO CNC(=O)CCC[N@H+](C)Cc1ccc(I)cc1Cl ZINC000502253873 564994676 /nfs/dbraw/zinc/99/46/76/564994676.db2.gz MXGGQFJSFYSAHM-UHFFFAOYSA-N 1 0 380.657 2.903 20 0 GFADRO CS[C@@H]1CN(C(=O)CSc2ccc(C(F)(F)F)cn2)C[C@H]1[NH+](C)C ZINC000534827537 564997233 /nfs/dbraw/zinc/99/72/33/564997233.db2.gz NGLRPJOFSDGXDQ-VXGBXAGGSA-N 1 0 379.473 2.697 20 0 GFADRO C[C@@H]1C[C@H](N(C)S(=O)(=O)Cc2ccccc2Br)CC[N@@H+]1C ZINC000561518731 564998714 /nfs/dbraw/zinc/99/87/14/564998714.db2.gz BGDALRWTKTVFJT-TZMCWYRMSA-N 1 0 375.332 2.693 20 0 GFADRO O=C1[C@H]([NH2+][C@]2(Cc3ccc(Cl)cc3)CCOC2)CCN1CC(F)(F)F ZINC000502534984 565001013 /nfs/dbraw/zinc/00/10/13/565001013.db2.gz FGIXFWRRHNLBSO-ZBFHGGJFSA-N 1 0 376.806 2.794 20 0 GFADRO CC[N@@H+]1C[C@H](C)N(C(=O)Nc2ccc(NS(C)(=O)=O)c(Cl)c2)C[C@H]1C ZINC000535038003 565003221 /nfs/dbraw/zinc/00/32/21/565003221.db2.gz BZYUENIMWDHCQB-NEPJUHHUSA-N 1 0 388.921 2.658 20 0 GFADRO C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)c1ccc(-n2cc(Br)cn2)cc1 ZINC000535073555 565004678 /nfs/dbraw/zinc/00/46/78/565004678.db2.gz UFGPIARCWULLTL-CHWSQXEVSA-N 1 0 377.286 2.799 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cncc(I)c2)C[C@H]1C ZINC000535291471 565009548 /nfs/dbraw/zinc/00/95/48/565009548.db2.gz AZTJXYIWUJZFMK-RISCZKNCSA-N 1 0 387.265 2.631 20 0 GFADRO COC(=O)[C@]1(C)C[N@H+](Cc2cc3c(cc2Br)OCCO3)C[C@H]1C ZINC000503210400 565013860 /nfs/dbraw/zinc/01/38/60/565013860.db2.gz ZOHKECVLMHAOOW-PIGZYNQJSA-N 1 0 384.270 2.851 20 0 GFADRO COCC[N@@H+]1CCCN(C(=O)CCc2cc(Br)ccc2F)CC1 ZINC000535514801 565014533 /nfs/dbraw/zinc/01/45/33/565014533.db2.gz XZYRKUDCXPAMGJ-UHFFFAOYSA-N 1 0 387.293 2.702 20 0 GFADRO Brc1cncc(Br)c1CN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000562205019 565020296 /nfs/dbraw/zinc/02/02/96/565020296.db2.gz FOLBSCGHXYFWML-SNVBAGLBSA-N 1 0 375.108 2.887 20 0 GFADRO C[C@H]1C[C@@H](NC(=O)c2cc[nH]c(=O)c2Br)C[N@@H+]1Cc1ccccc1 ZINC000469581132 565021754 /nfs/dbraw/zinc/02/17/54/565021754.db2.gz SIMSATRGUIEPKK-GXTWGEPZSA-N 1 0 390.281 2.943 20 0 GFADRO O[C@@H](C[NH2+][C@@H]1CCC[C@H]1OC(F)F)COc1ccc(Br)cc1 ZINC000503526452 565022555 /nfs/dbraw/zinc/02/25/55/565022555.db2.gz OWHFLKLMNBBSJG-IACUBPJLSA-N 1 0 380.229 2.939 20 0 GFADRO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1cc[nH]c(=O)c1Br ZINC000469778996 565027242 /nfs/dbraw/zinc/02/72/42/565027242.db2.gz GVWCHCUPNTXXMA-GFCCVEGCSA-N 1 0 378.270 2.800 20 0 GFADRO Cc1cc(Cl)ccc1S(=O)(=O)N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000469801205 565028027 /nfs/dbraw/zinc/02/80/27/565028027.db2.gz OOVLUTLLYWANOZ-QGZVFWFLSA-N 1 0 386.945 2.914 20 0 GFADRO C[C@@H](C(=O)Nc1cccc(Br)c1)[N@@H+]1CC[C@@H](c2nccn2C)C1 ZINC000536062052 565028032 /nfs/dbraw/zinc/02/80/32/565028032.db2.gz TZOBJFCHDPCIAE-QWHCGFSZSA-N 1 0 377.286 2.999 20 0 GFADRO O=S(=O)(c1ccc(Cl)s1)N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000469810724 565028084 /nfs/dbraw/zinc/02/80/84/565028084.db2.gz SATWHJRQJOAXJS-ZDUSSCGKSA-N 1 0 378.947 2.667 20 0 GFADRO Cc1ccc(S(=O)(=O)N2CC[C@@H](OCC[NH+]3CCCCC3)C2)c(Cl)c1 ZINC000469801180 565028162 /nfs/dbraw/zinc/02/81/62/565028162.db2.gz OGNSSOXQAOYCSR-MRXNPFEDSA-N 1 0 386.945 2.914 20 0 GFADRO CC[NH+](CC)CCN(C(=O)c1cnc(C)cn1)c1ccc(Br)cn1 ZINC000562498918 565031580 /nfs/dbraw/zinc/03/15/80/565031580.db2.gz FHTMGOSLKUTRBI-UHFFFAOYSA-N 1 0 392.301 2.931 20 0 GFADRO CS[C@@H]1CN(C(=O)CS[C@@H](C)c2nc3ccccc3[nH]2)C[C@H]1[NH+](C)C ZINC000536335554 565034943 /nfs/dbraw/zinc/03/49/43/565034943.db2.gz HBSLZGZJSXAMTI-APHBMKBZSA-N 1 0 378.567 2.861 20 0 GFADRO CN1CCO[C@H](C(=O)Nc2ccc(Oc3ncc(Cl)cn3)c(Cl)c2)C1 ZINC000562606393 565035336 /nfs/dbraw/zinc/03/53/36/565035336.db2.gz VMTUVULHXLODPR-AWEZNQCLSA-N 1 0 383.235 2.845 20 0 GFADRO O=C(NC[C@@H]1CCCC[N@H+]1CCO)[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000562627156 565035852 /nfs/dbraw/zinc/03/58/52/565035852.db2.gz BVKJHINVUHNVRD-YESZJQIVSA-N 1 0 381.314 2.516 20 0 GFADRO C[N@H+]1CC=C(CNC(=O)c2ccccc2-n2cc(Br)cn2)CC1 ZINC000562698904 565038922 /nfs/dbraw/zinc/03/89/22/565038922.db2.gz LJKZUOBMCHTCCM-UHFFFAOYSA-N 1 0 375.270 2.627 20 0 GFADRO O=C(Cc1cccc(I)c1)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000470159997 565039661 /nfs/dbraw/zinc/03/96/61/565039661.db2.gz PSUSJAZTYHRNPI-INIZCTEOSA-N 1 0 398.288 2.967 20 0 GFADRO C[C@H](Cc1ccsc1)[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000562736801 565040898 /nfs/dbraw/zinc/04/08/98/565040898.db2.gz OGHMWLABPHSCBK-SNVBAGLBSA-N 1 0 389.340 2.879 20 0 GFADRO CC(=O)NCC[N@H+](CC[C@@H]1CCOC1)Cc1ccc(Br)s1 ZINC000504546908 565041190 /nfs/dbraw/zinc/04/11/90/565041190.db2.gz PBTTZQXHVWEWJY-CYBMUJFWSA-N 1 0 375.332 2.875 20 0 GFADRO Cc1ncc(C[NH+]2CCC(C(=O)Nc3ccc(Br)cn3)CC2)cn1 ZINC000536645263 565043611 /nfs/dbraw/zinc/04/36/11/565043611.db2.gz DOMAEBZMWKONTP-UHFFFAOYSA-N 1 0 390.285 2.793 20 0 GFADRO O=C(N[C@@H]1C[NH2+]CCC1(F)F)NC1(Cc2ccccc2Br)CC1 ZINC000562819764 565044114 /nfs/dbraw/zinc/04/41/14/565044114.db2.gz LICIMFNRGOTJOQ-CYBMUJFWSA-N 1 0 388.256 2.821 20 0 GFADRO O=C(NCCNc1cc[nH+]cc1)c1ccn(-c2ccc(Cl)cc2Cl)n1 ZINC000536801902 565047658 /nfs/dbraw/zinc/04/76/58/565047658.db2.gz SRHQKSNMUHYFEY-UHFFFAOYSA-N 1 0 376.247 2.838 20 0 GFADRO C[C@H](C[NH3+])NC(=O)c1nn(-c2cccc(Br)c2)c2c1CCCC2 ZINC000470474002 565048087 /nfs/dbraw/zinc/04/80/87/565048087.db2.gz NNTRCPWAZDAOIG-LLVKDONJSA-N 1 0 377.286 2.591 20 0 GFADRO CCc1nc(C)c([C@@H](C)[NH2+]CCc2ccc(OC)c(S(N)(=O)=O)c2)s1 ZINC000536842389 565048576 /nfs/dbraw/zinc/04/85/76/565048576.db2.gz ZWXWVUJACZWFNR-LLVKDONJSA-N 1 0 383.539 2.563 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)c1ccc(Br)cc1N)Cc1ccccc1 ZINC000470595305 565050013 /nfs/dbraw/zinc/05/00/13/565050013.db2.gz SVRLGTQSHYWTSR-OAHLLOKOSA-N 1 0 376.298 2.934 20 0 GFADRO CCCCOCCN(C(=O)C[C@H]1COCC[NH2+]1)c1ccc(Br)cc1 ZINC000562972816 565050091 /nfs/dbraw/zinc/05/00/91/565050091.db2.gz TWVPHPXSRHIVNQ-INIZCTEOSA-N 1 0 399.329 2.977 20 0 GFADRO C[C@@H]1C[C@@H](C)N(C(=O)c2c(F)cccc2I)C[C@H]1C[NH3+] ZINC000562980783 565050795 /nfs/dbraw/zinc/05/07/95/565050795.db2.gz LMHNGDVPOMFJGA-GMTAPVOTSA-N 1 0 390.240 2.876 20 0 GFADRO [NH3+]CC[C@@H]1CCCCN1C(=O)c1cc(F)c(F)cc1I ZINC000562979144 565050821 /nfs/dbraw/zinc/05/08/21/565050821.db2.gz RFPGYXUSYLVKEN-VIFPVBQESA-N 1 0 394.203 2.913 20 0 GFADRO CCS(=O)(=O)c1cccc(C[NH2+]C[C@@H](O)COc2ccc(Cl)cc2)c1 ZINC000563003394 565051329 /nfs/dbraw/zinc/05/13/29/565051329.db2.gz RBHWKXBAHRTICI-MRXNPFEDSA-N 1 0 383.897 2.663 20 0 GFADRO CCOc1ccc(S(=O)(=O)NCC[N@H+](C)[C@H](C)CC)cc1Br ZINC000470628437 565051969 /nfs/dbraw/zinc/05/19/69/565051969.db2.gz SASHNQLJPZWGQH-GFCCVEGCSA-N 1 0 393.347 2.856 20 0 GFADRO C[C@H](O)C[N@@H+]1CCN(c2cc(C(F)(F)F)c(Br)cn2)[C@H](C)C1 ZINC000563038571 565052776 /nfs/dbraw/zinc/05/27/76/565052776.db2.gz MMJDUOCWVIFPON-ZJUUUORDSA-N 1 0 382.224 2.754 20 0 GFADRO C[C@H]1[NH2+]CC[C@@H]1C(=O)NCC1(c2cccc(Br)c2)CCOCC1 ZINC000563064992 565054194 /nfs/dbraw/zinc/05/41/94/565054194.db2.gz YLOIVAMUWXEYSR-CJNGLKHVSA-N 1 0 381.314 2.612 20 0 GFADRO C[C@@H](Oc1ccc(Cl)c(Cl)c1)C(=O)N1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000563116162 565055870 /nfs/dbraw/zinc/05/58/70/565055870.db2.gz AQFUECRIAMERQE-CHWSQXEVSA-N 1 0 387.307 2.975 20 0 GFADRO COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)N1C[C@@H](SC)[C@H]([NH+](C)C)C1 ZINC000537276564 565056425 /nfs/dbraw/zinc/05/64/25/565056425.db2.gz UVPVEMDMILMPGF-XGWLTEMNSA-N 1 0 385.961 2.961 20 0 GFADRO O=S(=O)(c1ccc(F)cc1C(F)(F)F)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000563129193 565056481 /nfs/dbraw/zinc/05/64/81/565056481.db2.gz DOBGHCOIZXRZEN-VXGBXAGGSA-N 1 0 380.407 2.855 20 0 GFADRO CS[C@@H]1CN([C@H](C)C(=O)Nc2nc3ccc(F)cc3s2)C[C@H]1[NH+](C)C ZINC000537291300 565056634 /nfs/dbraw/zinc/05/66/34/565056634.db2.gz WUDOLQVHVNVCMF-WDBKCZKBSA-N 1 0 382.530 2.740 20 0 GFADRO COc1cc(OC)c(S(=O)(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)cc1Cl ZINC000563135265 565056753 /nfs/dbraw/zinc/05/67/53/565056753.db2.gz MHXKMVAVKIAWOA-CQSZACIVSA-N 1 0 388.917 2.510 20 0 GFADRO COCc1cc(Cl)cc(S(=O)(=O)N(CC[NH3+])CCc2ccccc2)c1 ZINC000563134875 565057044 /nfs/dbraw/zinc/05/70/44/565057044.db2.gz HNNZXMVMJBGRLB-UHFFFAOYSA-N 1 0 382.913 2.679 20 0 GFADRO CC[N@@H+]1C[C@@H](C)N(C(=O)c2cccnc2-n2cc(Br)cn2)C[C@H]1C ZINC000563154806 565057421 /nfs/dbraw/zinc/05/74/21/565057421.db2.gz MMDBWVVKSQHRJS-CHWSQXEVSA-N 1 0 392.301 2.585 20 0 GFADRO CN(Cc1cc(Br)cs1)C(=O)CN1CC[C@]2(C1)CCC[NH2+]C2 ZINC000563150092 565057572 /nfs/dbraw/zinc/05/75/72/565057572.db2.gz YRZQKYJLMAAJOS-MRXNPFEDSA-N 1 0 386.359 2.545 20 0 GFADRO O=C1C[C@@]2(CN1)CCC[N@@H+](Cc1cnn(-c3ccc(Br)cc3)c1)C2 ZINC000537616855 565060204 /nfs/dbraw/zinc/06/02/04/565060204.db2.gz XNSRCQDAJPLGNZ-GOSISDBHSA-N 1 0 389.297 2.737 20 0 GFADRO CC[NH+](CC)CC[C@@H](CO)NC(=O)c1cccc(Br)c1Cl ZINC000537718263 565062098 /nfs/dbraw/zinc/06/20/98/565062098.db2.gz GUPAMEWBZCGWJC-NSHDSACASA-N 1 0 377.710 2.925 20 0 GFADRO Cc1nc([C@H](NC(=O)C[N@@H+](C)[C@@H]2CCSC2)c2ccc(Cl)cc2)no1 ZINC000537828991 565063685 /nfs/dbraw/zinc/06/36/85/565063685.db2.gz BKGQJMHPDPNUSJ-GDBMZVCRSA-N 1 0 380.901 2.674 20 0 GFADRO C[C@@H]1C[N@H+](C[C@H](O)COc2ccc(Cl)c(Cl)c2)C[C@]2(CCOC2)O1 ZINC000684626621 565077033 /nfs/dbraw/zinc/07/70/33/565077033.db2.gz LDYDDTOGHVTYSX-IGCXYCKISA-N 1 0 376.280 2.613 20 0 GFADRO C[N@@H+]1CCN(C(=O)c2c(O)cnc3c(Br)cccc32)CC1(C)C ZINC000584420559 565079867 /nfs/dbraw/zinc/07/98/67/565079867.db2.gz MHINPGFXYWBRAO-UHFFFAOYSA-N 1 0 378.270 2.869 20 0 GFADRO O=S(=O)(N[C@H]1CC[N@@H+](C2CCCCC2)C1)c1cccnc1C(F)(F)F ZINC000657161365 565081429 /nfs/dbraw/zinc/08/14/29/565081429.db2.gz OPDLAOGFUKXLRA-LBPRGKRZSA-N 1 0 377.432 2.786 20 0 GFADRO CC[NH+]1C[C@H](C)N(C(=O)[C@H]2CC(=O)Nc3ccc(Br)cc32)[C@@H](C)C1 ZINC000584493204 565084001 /nfs/dbraw/zinc/08/40/01/565084001.db2.gz LIDUHRWJCNMEFI-HUBLWGQQSA-N 1 0 394.313 2.816 20 0 GFADRO CSc1ccc([C@H](CNC(=O)CNC(=O)c2ccsc2)[NH+](C)C)cc1 ZINC000584522129 565085346 /nfs/dbraw/zinc/08/53/46/565085346.db2.gz UGWBLOBBCBJJAN-INIZCTEOSA-N 1 0 377.535 2.619 20 0 GFADRO COC(=O)C[C@H]1CN(CCCC(=O)c2ccc(Br)cc2)CCO1 ZINC000584556875 565087894 /nfs/dbraw/zinc/08/78/94/565087894.db2.gz YPIPQFIEHPKZEC-HNNXBMFYSA-N 1 0 384.270 2.676 20 0 GFADRO C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N[C@H]1C[C@@H]([NH+]2CCCC2)C1 ZINC000636096200 565089831 /nfs/dbraw/zinc/08/98/31/565089831.db2.gz UMGMRHNPNVCOLH-UPJWGTAASA-N 1 0 384.307 2.855 20 0 GFADRO O=C(N[C@H]1C[C@@H]([NH+]2CCCC2)C1)C1(c2cccc(Br)c2)CC(=O)C1 ZINC000636102007 565090255 /nfs/dbraw/zinc/09/02/55/565090255.db2.gz REOITXSLMBWOMH-IYBDPMFKSA-N 1 0 391.309 2.793 20 0 GFADRO Cc1c(Br)cncc1C[NH2+]Cc1ccc(N(C)S(C)(=O)=O)cc1 ZINC000657356946 565097456 /nfs/dbraw/zinc/09/74/56/565097456.db2.gz QGSHVHPWLBXHFX-UHFFFAOYSA-N 1 0 398.326 2.838 20 0 GFADRO O=C(NCCC[NH2+]Cc1cc2n(n1)CCC2)c1ccc(Br)cc1 ZINC000657341908 565098254 /nfs/dbraw/zinc/09/82/54/565098254.db2.gz BMDHLNTUSMTMBS-UHFFFAOYSA-N 1 0 377.286 2.502 20 0 GFADRO CCCOc1ccc(C[NH2+]C[C@@H](O)CS(=O)(=O)c2cccs2)c(C)c1 ZINC000657414791 565099523 /nfs/dbraw/zinc/09/95/23/565099523.db2.gz CKQJIAGFJHNYHO-MRXNPFEDSA-N 1 0 383.535 2.770 20 0 GFADRO CN(C)CC[N@H+](C)CCCNC(=O)CCc1cc(Br)ccc1F ZINC000685200174 565099745 /nfs/dbraw/zinc/09/97/45/565099745.db2.gz QTCIIISZJCENGY-UHFFFAOYSA-N 1 0 388.325 2.521 20 0 GFADRO CC(C)(C[NH+]1CCOCC1)C(=O)N[C@H](CO)c1cccc(Cl)c1Cl ZINC000636239699 565100324 /nfs/dbraw/zinc/10/03/24/565100324.db2.gz ARVZDHPXEJZUIF-CQSZACIVSA-N 1 0 375.296 2.501 20 0 GFADRO COCCOCC[N@H+](C)CCC(=O)N1CC[C@@H]1c1ccc(Br)cc1 ZINC000636235235 565100422 /nfs/dbraw/zinc/10/04/22/565100422.db2.gz DBJFDULRJFWQDD-QGZVFWFLSA-N 1 0 399.329 2.707 20 0 GFADRO CN(C)S(=O)(=O)N1CCCC[C@@H]1C[NH2+]Cc1cc(Cl)cc(Cl)c1 ZINC000584845850 565101345 /nfs/dbraw/zinc/10/13/45/565101345.db2.gz BIYWODROMYDHES-OAHLLOKOSA-N 1 0 380.341 2.744 20 0 GFADRO OC[C@H](C[NH2+]Cc1ccnn1CC1CC1)Cc1cccc(Br)c1 ZINC000657449353 565102109 /nfs/dbraw/zinc/10/21/09/565102109.db2.gz VRMYAKXPAPFGEF-INIZCTEOSA-N 1 0 378.314 2.996 20 0 GFADRO CC(C)[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)NCC12CCC[NH+]1CCC2 ZINC000614223524 565102208 /nfs/dbraw/zinc/10/22/08/565102208.db2.gz FLCAKDXKJXUUEV-OAHLLOKOSA-N 1 0 383.945 2.901 20 0 GFADRO CC[NH+](CC)CCCNC(=O)C(=O)Nc1ccc(F)c(Br)c1F ZINC000657506382 565104866 /nfs/dbraw/zinc/10/48/66/565104866.db2.gz HVLBEGJWSNEZEZ-UHFFFAOYSA-N 1 0 392.244 2.514 20 0 GFADRO CC(C)C[C@@H](CNC(=O)C(=O)Nc1cccc(Br)c1F)[NH+](C)C ZINC000657517271 565106024 /nfs/dbraw/zinc/10/60/24/565106024.db2.gz BSUPZZMMHDDKTF-NSHDSACASA-N 1 0 388.281 2.619 20 0 GFADRO CCOc1ccc(C[NH2+]CCNC(=O)c2ccc(Br)cn2)cc1 ZINC000657563719 565108644 /nfs/dbraw/zinc/10/86/44/565108644.db2.gz QALPNRLDUGDWEZ-UHFFFAOYSA-N 1 0 378.270 2.762 20 0 GFADRO CCOc1ccc(C[NH2+]CCNC(=O)c2ccc(Br)cn2)cc1F ZINC000657563530 565109117 /nfs/dbraw/zinc/10/91/17/565109117.db2.gz KBNNIWJUTBETDQ-UHFFFAOYSA-N 1 0 396.260 2.902 20 0 GFADRO COc1ccc(C[NH2+][C@H](CO)[C@@H]2CCC[C@@H](OC)C2)c(Br)c1O ZINC000657576250 565109876 /nfs/dbraw/zinc/10/98/76/565109876.db2.gz JHJQRQKHPOWGBP-MRVWCRGKSA-N 1 0 388.302 2.819 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)c2nnc(-c3cc(Br)cn3C)n2C)[C@@H](C)C1 ZINC000685529164 565110189 /nfs/dbraw/zinc/11/01/89/565110189.db2.gz IMYZKZAUKCPHFH-GXTWGEPZSA-N 1 0 395.349 2.750 20 0 GFADRO COC(=O)c1ccc(CNc2cnn(CC[NH+](C)C)c2)c(Br)c1 ZINC000585766851 565110958 /nfs/dbraw/zinc/11/09/58/565110958.db2.gz HELUGJUHCBESQM-UHFFFAOYSA-N 1 0 381.274 2.606 20 0 GFADRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)Nc1ccc(F)c(Br)c1F ZINC000657588582 565112002 /nfs/dbraw/zinc/11/20/02/565112002.db2.gz KWHHOBFVCOSIAD-SECBINFHSA-N 1 0 392.244 2.512 20 0 GFADRO C[C@@H](C(=O)N(CCn1ccnc1)Cc1ccccc1Br)[NH+](C)C ZINC000614440574 565113601 /nfs/dbraw/zinc/11/36/01/565113601.db2.gz MVNLVTUUENHYJI-AWEZNQCLSA-N 1 0 379.302 2.625 20 0 GFADRO O=C1CCCCCN1CCC[NH2+]Cc1cn2ccc(Br)cc2n1 ZINC000685612045 565116277 /nfs/dbraw/zinc/11/62/77/565116277.db2.gz OSSVOVKKIMLBQY-UHFFFAOYSA-N 1 0 379.302 2.979 20 0 GFADRO CSc1ccc(Cl)c(NC(=O)C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)c1 ZINC000657859068 565133984 /nfs/dbraw/zinc/13/39/84/565133984.db2.gz PEGWDTGVJHJOLE-WBMJQRKESA-N 1 0 381.929 2.943 20 0 GFADRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1cc(Br)cc2[nH]c(=O)[nH]c21 ZINC000614835719 565134715 /nfs/dbraw/zinc/13/47/15/565134715.db2.gz PREQNFGYATUSDA-YGRLFVJLSA-N 1 0 393.285 2.730 20 0 GFADRO CS[C@@H]1CN(C(=O)c2cnc3ncc(Br)cc3c2)C[C@H]1[NH+](C)C ZINC000614860013 565136443 /nfs/dbraw/zinc/13/64/43/565136443.db2.gz AKQUMIUXPITCJQ-ZIAGYGMSSA-N 1 0 395.326 2.510 20 0 GFADRO C[NH+](C)C[C@@H](NC(=O)NC[C@@H]1CCCC(=O)N1)c1ccc(Cl)c(Cl)c1 ZINC000637101095 565138917 /nfs/dbraw/zinc/13/89/17/565138917.db2.gz AIYDQZBFCDBJHF-SWLSCSKDSA-N 1 0 387.311 2.564 20 0 GFADRO COC[C@H](CC1CCOCC1)[NH2+]Cc1ccc(S(C)(=O)=O)c(Cl)c1 ZINC000657991760 565144274 /nfs/dbraw/zinc/14/42/74/565144274.db2.gz YGHVZBAAUWCAIP-HNNXBMFYSA-N 1 0 375.918 2.665 20 0 GFADRO C[C@H](Oc1cc(Cl)cc(Cl)c1)C(=O)NCCCC[NH+]1CCOCC1 ZINC000589098503 565151322 /nfs/dbraw/zinc/15/13/22/565151322.db2.gz AQJHRFOJKZIEGH-ZDUSSCGKSA-N 1 0 375.296 2.989 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)C(=O)Nc1ccc(Br)c(F)c1 ZINC000658126133 565152263 /nfs/dbraw/zinc/15/22/63/565152263.db2.gz KGWNPDPTQJBFKM-NSHDSACASA-N 1 0 386.265 2.516 20 0 GFADRO COc1c(Cl)cc(NC(=O)C(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)cc1Cl ZINC000658125806 565152402 /nfs/dbraw/zinc/15/24/02/565152402.db2.gz YPBYTIOYIQUHGV-NSHDSACASA-N 1 0 388.295 2.930 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2cc(Br)cnc2OC)[C@H](C)C1 ZINC000637407021 565154115 /nfs/dbraw/zinc/15/41/15/565154115.db2.gz PDWKKUQCZKEQAY-DOMZBBRYSA-N 1 0 399.333 2.724 20 0 GFADRO COc1ncc(Br)cc1CNC(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000637406873 565154446 /nfs/dbraw/zinc/15/44/46/565154446.db2.gz JQEUBSCDWPCTKD-HNNXBMFYSA-N 1 0 397.317 2.623 20 0 GFADRO C[C@H]([NH2+][C@@H]1C[C@H](O)C12CCC2)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000658252306 565155783 /nfs/dbraw/zinc/15/57/83/565155783.db2.gz QBVFKNQQJDGWAN-PCTYZZJISA-N 1 0 379.309 2.595 20 0 GFADRO COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000658265440 565158012 /nfs/dbraw/zinc/15/80/12/565158012.db2.gz ZHALYTVUCLYVFD-SNVBAGLBSA-N 1 0 388.295 2.930 20 0 GFADRO CCS(=O)(=O)C1(C[NH2+][C@H](C)CC(=O)N(C)Cc2ccccc2Cl)CC1 ZINC000658299623 565158659 /nfs/dbraw/zinc/15/86/59/565158659.db2.gz PCUQYDFOHOGOFM-CQSZACIVSA-N 1 0 386.945 2.634 20 0 GFADRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)c3cc(Br)cc4[nH]c(=O)[nH]c43)C2)C1 ZINC000615356599 565159265 /nfs/dbraw/zinc/15/92/65/565159265.db2.gz QRFSYRMUSQSYGL-QGZVFWFLSA-N 1 0 393.285 2.589 20 0 GFADRO C[NH2+]C[C@H]1CCCN(S(=O)(=O)c2cc(Cl)ccc2OC(F)(F)F)C1 ZINC000658359992 565160827 /nfs/dbraw/zinc/16/08/27/565160827.db2.gz IKYJDJQDPWBXQR-SNVBAGLBSA-N 1 0 386.823 2.859 20 0 GFADRO CCCOc1ccc(Br)cc1S(=O)(=O)NCC1CC[NH2+]CC1 ZINC000658362513 565161417 /nfs/dbraw/zinc/16/14/17/565161417.db2.gz BRXPUMWKXJFRPA-UHFFFAOYSA-N 1 0 391.331 2.516 20 0 GFADRO [NH3+]C[C@H](NS(=O)(=O)Cc1ccc(OC(F)(F)F)cc1)C1CCCCC1 ZINC000658368418 565162637 /nfs/dbraw/zinc/16/26/37/565162637.db2.gz XHZOIQHARUUWLA-HNNXBMFYSA-N 1 0 380.432 2.912 20 0 GFADRO O=C(NCc1ccsc1C(F)(F)F)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000637594595 565163263 /nfs/dbraw/zinc/16/32/63/565163263.db2.gz JXVBSUNWTKFIEN-LBPRGKRZSA-N 1 0 377.432 2.631 20 0 GFADRO [NH3+][C@@H]1CCC[C@H]2CN(S(=O)(=O)c3cc(Cl)ccc3OC(F)(F)F)C[C@@H]21 ZINC000658376072 565163619 /nfs/dbraw/zinc/16/36/19/565163619.db2.gz PYZPDJHTCQBMLR-ZMLRMANQSA-N 1 0 398.834 2.987 20 0 GFADRO CSC1(CNC(=O)COCc2nc3ccccc3s2)CC[NH+](C)CC1 ZINC000589475830 565164216 /nfs/dbraw/zinc/16/42/16/565164216.db2.gz FGYZPJCYNYWOPJ-UHFFFAOYSA-N 1 0 379.551 2.757 20 0 GFADRO C[C@H]1[C@@H]([NH3+])CCN1S(=O)(=O)c1cc(Cl)c(Cl)cc1Br ZINC000658378776 565164675 /nfs/dbraw/zinc/16/46/75/565164675.db2.gz BTBMYUFVILHCBV-WKEGUHRASA-N 1 0 388.114 2.866 20 0 GFADRO CN(Cc1nccn1C)C(=O)N[C@@H]1[C@H]2Cc3cc(Br)ccc3[C@@H]12 ZINC000637651525 565167227 /nfs/dbraw/zinc/16/72/27/565167227.db2.gz XFGKYROVVHRHJK-NUEKZKHPSA-N 1 0 375.270 2.662 20 0 GFADRO C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1COc3ccc(Br)cc31)C2 ZINC000615610354 565167986 /nfs/dbraw/zinc/16/79/86/565167986.db2.gz XSMVSJAQIMDUJC-YJBOKZPZSA-N 1 0 379.298 2.869 20 0 GFADRO O=C(N[C@H]1CCC[N@@H+](CCCO)C1)c1cc2cc(Br)sc2[nH]1 ZINC000615655873 565169618 /nfs/dbraw/zinc/16/96/18/565169618.db2.gz ATPAFUBBMLHRGK-NSHDSACASA-N 1 0 386.315 2.569 20 0 GFADRO CCN(C(=O)C(=O)Nc1ccc(C)c(Br)c1)[C@H]1CC[N@H+](CC)C1 ZINC000658462630 565171930 /nfs/dbraw/zinc/17/19/30/565171930.db2.gz JPZXQIFIRFWKPT-AWEZNQCLSA-N 1 0 382.302 2.639 20 0 GFADRO Cc1ccc(CNC(=O)NCC2(O)CC[NH+](C(C)C)CC2)cc1Br ZINC000637774351 565173168 /nfs/dbraw/zinc/17/31/68/565173168.db2.gz GWUQROROBNIJPP-UHFFFAOYSA-N 1 0 398.345 2.792 20 0 GFADRO O[C@@]1(C(F)(F)F)CC[C@@H]([NH2+]Cc2ncc(I)s2)C1 ZINC000589938326 565173642 /nfs/dbraw/zinc/17/36/42/565173642.db2.gz MRAIPPGEENJQTD-MUWHJKNJSA-N 1 0 392.184 2.683 20 0 GFADRO C[N@@H+]1C[C@@H]2CCN(C(=O)c3cc(Cl)ccc3I)[C@@H]2C1 ZINC000590043593 565175808 /nfs/dbraw/zinc/17/58/08/565175808.db2.gz BQCIKKXVBBFNED-TVQRCGJNSA-N 1 0 390.652 2.721 20 0 GFADRO CC(=O)NCc1ccc(-c2nc(NC(=O)C3=CC[C@@H]([NH3+])C3)sc2C)s1 ZINC000637932089 565176884 /nfs/dbraw/zinc/17/68/84/565176884.db2.gz MPLPIWTZZXOTJO-GFCCVEGCSA-N 1 0 376.507 2.802 20 0 GFADRO O=C(CCC1C[NH2+]C1)NCC1(c2ccc(Br)cc2)CCOCC1 ZINC000637974702 565179272 /nfs/dbraw/zinc/17/92/72/565179272.db2.gz YIHOXAIPIYXHSN-UHFFFAOYSA-N 1 0 381.314 2.613 20 0 GFADRO CC[N@H+](CCC(F)(F)F)Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000637994984 565180230 /nfs/dbraw/zinc/18/02/30/565180230.db2.gz ZUFGGISCRBKXGH-UHFFFAOYSA-N 1 0 389.237 2.871 20 0 GFADRO [NH3+]Cc1ncc(C(=O)N2CCO[C@@H](c3cc(F)c(Cl)cc3Cl)C2)cn1 ZINC000637983207 565180428 /nfs/dbraw/zinc/18/04/28/565180428.db2.gz MHMNKNHZGBWFKA-CQSZACIVSA-N 1 0 385.226 2.595 20 0 GFADRO CC[C@H]([NH2+]C[C@H]1CC[C@@H](CO)O1)c1ccc(I)cc1 ZINC000590256806 565181923 /nfs/dbraw/zinc/18/19/23/565181923.db2.gz JKISNCKKSCLAHY-ILXRZTDVSA-N 1 0 375.250 2.872 20 0 GFADRO C[NH2+]CCC1CCN(C(=O)c2ccc3cncc(Br)c3n2)CC1 ZINC000638151761 565186334 /nfs/dbraw/zinc/18/63/34/565186334.db2.gz MRQQIHPUPGTPRE-UHFFFAOYSA-N 1 0 377.286 2.854 20 0 GFADRO [NH3+][C@@H]1CC=C(C(=O)NC2CCN(Cc3ccc(Br)cc3)CC2)C1 ZINC000638132310 565186343 /nfs/dbraw/zinc/18/63/43/565186343.db2.gz PVUUSNDHQYFPJJ-MRXNPFEDSA-N 1 0 378.314 2.577 20 0 GFADRO COc1ccc(Br)c(CNC(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000616092827 565189249 /nfs/dbraw/zinc/18/92/49/565189249.db2.gz ZTRBXYQHORURBX-KGLIPLIRSA-N 1 0 382.302 2.884 20 0 GFADRO Cc1cc(I)cc(C(=O)N2CC[C@H]3C[N@@H+](C)C[C@H]32)c1C ZINC000590446907 565189355 /nfs/dbraw/zinc/18/93/55/565189355.db2.gz XBVWIARLDZZVJG-SWLSCSKDSA-N 1 0 384.261 2.684 20 0 GFADRO COc1cc(C(=O)N2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)ccc1Br ZINC000638338606 565192147 /nfs/dbraw/zinc/19/21/47/565192147.db2.gz CLHCEGIVZUXSTG-WBVHZDCISA-N 1 0 397.313 2.816 20 0 GFADRO Cc1c(Br)csc1C(=O)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000638332927 565192196 /nfs/dbraw/zinc/19/21/96/565192196.db2.gz SNVGKYXNTZDNMW-UHFFFAOYSA-N 1 0 386.359 2.765 20 0 GFADRO CO[C@@H]1C[NH2+][C@@](C)(C(=O)NCCc2csc(-c3ccc(Cl)cc3)n2)C1 ZINC000638379214 565193564 /nfs/dbraw/zinc/19/35/64/565193564.db2.gz XFMBDKAULPYNAZ-MAUKXSAKSA-N 1 0 379.913 2.889 20 0 GFADRO C[C@@H]1CCCN(C(=O)c2ccc3cncc(Br)c3n2)[C@@H]1CC[NH3+] ZINC000638391273 565195422 /nfs/dbraw/zinc/19/54/22/565195422.db2.gz WICPJQPYOIUQHO-IAQYHMDHSA-N 1 0 377.286 2.982 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+]CC2(c3cccc(Br)c3)CCC2)o1 ZINC000638404699 565195497 /nfs/dbraw/zinc/19/54/97/565195497.db2.gz KLSBKVODQOMGGA-UHFFFAOYSA-N 1 0 399.310 2.901 20 0 GFADRO C[C@@H](NC(=O)C[NH2+]C[C@H]1CCCO1)c1cc(F)c(Br)cc1F ZINC000638495117 565198848 /nfs/dbraw/zinc/19/88/48/565198848.db2.gz MCROASRZMDFVQX-NXEZZACHSA-N 1 0 377.229 2.673 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)C(=O)c2ccc(Br)cc2)CC[C@H]1C(F)(F)F ZINC000638549014 565201339 /nfs/dbraw/zinc/20/13/39/565201339.db2.gz MNIJYTVBCLLJQS-CMPLNLGQSA-N 1 0 393.203 2.618 20 0 GFADRO CN(CC(C)(C)[NH3+])C(=O)C(=O)Nc1cccc(Cl)c1SCC(F)F ZINC000659093590 565201323 /nfs/dbraw/zinc/20/13/23/565201323.db2.gz YWCOHPHAULQAAB-UHFFFAOYSA-N 1 0 379.860 2.831 20 0 GFADRO Cc1cc(Br)c(Cl)cc1NC(=O)C(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000659088777 565201330 /nfs/dbraw/zinc/20/13/30/565201330.db2.gz PJRNDOAPUHIJTP-BDAKNGLRSA-N 1 0 376.682 2.591 20 0 GFADRO O=C(Nc1ccccc1Br)C(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000659090356 565201810 /nfs/dbraw/zinc/20/18/10/565201810.db2.gz HYTZYVAOADDPFZ-CQSZACIVSA-N 1 0 394.313 2.626 20 0 GFADRO Cc1cc(Cl)cc(NC(=O)C(=O)NCC[C@@H]([NH3+])C(C)C)c1Br ZINC000659108895 565202849 /nfs/dbraw/zinc/20/28/49/565202849.db2.gz RUMILJSOXSVDBG-LLVKDONJSA-N 1 0 390.709 2.839 20 0 GFADRO CN(CC[NH+]1CCCCC1)C(=O)[C@@H]1CCO[C@H]1c1cncc(Br)c1 ZINC000616566437 565205250 /nfs/dbraw/zinc/20/52/50/565205250.db2.gz QAHTWMRYBVKPOC-SJORKVTESA-N 1 0 396.329 2.866 20 0 GFADRO O=C(N[C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1cc(Br)cc2c1OCCO2 ZINC000616717173 565207043 /nfs/dbraw/zinc/20/70/43/565207043.db2.gz HHHZMDAJVROXRT-GJZGRUSLSA-N 1 0 395.297 2.967 20 0 GFADRO CCOC1CC(C[NH2+]CCc2ccc(S(=O)(=O)N3CCCCC3)s2)C1 ZINC000638701714 565208511 /nfs/dbraw/zinc/20/85/11/565208511.db2.gz UJWPVVUCNDSTIS-UHFFFAOYSA-N 1 0 386.583 2.870 20 0 GFADRO [NH3+]C1CCC(OCC(=O)N2CCc3cc(F)cc(Br)c3C2)CC1 ZINC000638773936 565210508 /nfs/dbraw/zinc/21/05/08/565210508.db2.gz SZVHYOGZDCYUSD-UHFFFAOYSA-N 1 0 385.277 2.759 20 0 GFADRO C[C@@]1(C[NH3+])CCN(C(=O)Cc2ccc(Br)c(Br)c2)C1 ZINC000659311022 565211482 /nfs/dbraw/zinc/21/14/82/565211482.db2.gz GNUNWLVBVOGBEI-AWEZNQCLSA-N 1 0 390.119 2.951 20 0 GFADRO O=C(N[C@H]1CC12CC[NH2+]CC2)c1cc(-c2ccc(Br)cc2)no1 ZINC000659314192 565211544 /nfs/dbraw/zinc/21/15/44/565211544.db2.gz QVEKUAYJFOMPON-HNNXBMFYSA-N 1 0 376.254 2.976 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)Cc2ccc(Br)c(Br)c2)C1 ZINC000659306456 565212059 /nfs/dbraw/zinc/21/20/59/565212059.db2.gz OHSSGNWKXRGSOK-KOLCDFICSA-N 1 0 390.119 2.950 20 0 GFADRO O=C([C@@H]1C[C@]12CC[NH2+]C2)N1CC2(CCOCC2)c2ccc(Br)cc21 ZINC000638842107 565213956 /nfs/dbraw/zinc/21/39/56/565213956.db2.gz LRMYEXWLRKIOSD-KXBFYZLASA-N 1 0 391.309 2.844 20 0 GFADRO CNc1cc(I)ccc1C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000591056191 565214087 /nfs/dbraw/zinc/21/40/87/565214087.db2.gz LXPDVDVRAKEIQB-ZDUSSCGKSA-N 1 0 399.276 2.547 20 0 GFADRO O=C(C[NH2+]CC1CC1)N1CC2(CCOCC2)c2ccc(Br)cc21 ZINC000638842600 565214442 /nfs/dbraw/zinc/21/44/42/565214442.db2.gz VWDLFELOLUKXRS-UHFFFAOYSA-N 1 0 379.298 2.844 20 0 GFADRO CC1([NH+]2CCCC2)CCN(C(=O)[C@H](N)c2ccccc2Br)CC1 ZINC000638860861 565215482 /nfs/dbraw/zinc/21/54/82/565215482.db2.gz IOHJSYIAPXQSBN-MRXNPFEDSA-N 1 0 380.330 2.926 20 0 GFADRO COc1ccc(NC(=O)[C@]2([NH3+])[C@@H]3CCCO[C@@H]3C2(C)C)c(Br)c1 ZINC000638852368 565216032 /nfs/dbraw/zinc/21/60/32/565216032.db2.gz BKDPJXLJZJOADC-HYSWKAIVSA-N 1 0 383.286 2.929 20 0 GFADRO Cc1c(C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)cnn1-c1ccc(Br)cc1 ZINC000638920812 565217513 /nfs/dbraw/zinc/21/75/13/565217513.db2.gz ASOSLIUBOMCUBC-OKILXGFUSA-N 1 0 375.270 2.520 20 0 GFADRO CC[N@@H+]1CCCC[C@H]1C(=O)NCCC(=O)Nc1ccc(Br)cc1 ZINC000591148220 565217544 /nfs/dbraw/zinc/21/75/44/565217544.db2.gz FNFAXHCQKSJNBT-HNNXBMFYSA-N 1 0 382.302 2.768 20 0 GFADRO Cc1cc(COc2ccc(C(=O)N3C[C@H]([NH3+])C[C@@H]3C)cc2Br)on1 ZINC000638940093 565217667 /nfs/dbraw/zinc/21/76/67/565217667.db2.gz UDAFLOXDOAIQPJ-WCQYABFASA-N 1 0 394.269 2.886 20 0 GFADRO CCn1c(CNC(=O)N(C)CC(C)(C)[NH3+])nc2cc(Br)ccc21 ZINC000659485051 565217885 /nfs/dbraw/zinc/21/78/85/565217885.db2.gz HNNIUQFVSIKYMU-UHFFFAOYSA-N 1 0 382.306 2.697 20 0 GFADRO C[C@H](CNC(=O)NCc1nc(C[NH3+])cc(=O)[nH]1)c1c(Cl)cccc1Cl ZINC000659448148 565218155 /nfs/dbraw/zinc/21/81/55/565218155.db2.gz MDQPQEAYICKEPM-SECBINFHSA-N 1 0 384.267 2.551 20 0 GFADRO Cc1nn(-c2ccc(C(=O)N3C[C@@H]([NH3+])C[C@H]3C)cc2)c(C)c1Br ZINC000638936906 565218374 /nfs/dbraw/zinc/21/83/74/565218374.db2.gz FNNOOJKSMZIXFB-YGRLFVJLSA-N 1 0 377.286 2.813 20 0 GFADRO [NH3+]C1(CNC(=O)NC[C@H]2CCN(c3cccc(Br)c3)C2)CCCC1 ZINC000659441858 565218448 /nfs/dbraw/zinc/21/84/48/565218448.db2.gz BQRCFUBHVFQAET-CQSZACIVSA-N 1 0 395.345 2.846 20 0 GFADRO Cc1c(C(=O)N[C@H]2CC[C@H](C[NH3+])CC2)nnn1-c1cccc(Br)c1 ZINC000638947336 565218817 /nfs/dbraw/zinc/21/88/17/565218817.db2.gz LNPVHVMUDSUJPS-MQMHXKEQSA-N 1 0 392.301 2.586 20 0 GFADRO COc1cccc([C@H]([NH3+])C(=O)N[C@@H]2[C@H]3Cc4cc(Br)ccc4[C@@H]23)c1 ZINC000638943436 565219063 /nfs/dbraw/zinc/21/90/63/565219063.db2.gz UFQQCAWGOWWEQC-XWTMOSNGSA-N 1 0 387.277 2.912 20 0 GFADRO [NH3+][C@@H]1CN(C(=O)N[C@H]2C[C@H](c3ccc(F)c(Br)c3)C2)CC[C@H]1F ZINC000659489544 565219425 /nfs/dbraw/zinc/21/94/25/565219425.db2.gz IGUOMOHBRREZBK-YIKOMLBNSA-N 1 0 388.256 2.915 20 0 GFADRO Cc1cc(C(=O)Nc2cc(N3CC[NH2+]CC3)ccn2)c(Br)s1 ZINC000638986302 565219760 /nfs/dbraw/zinc/21/97/60/565219760.db2.gz JRRXNAJJNIQWJB-UHFFFAOYSA-N 1 0 381.299 2.876 20 0 GFADRO [NH3+]CC1(NC(=O)c2cc(=O)c3cc(Br)ccc3[nH]2)CCCCC1 ZINC000638999868 565220383 /nfs/dbraw/zinc/22/03/83/565220383.db2.gz PKFDCVAWEZUOBL-UHFFFAOYSA-N 1 0 378.270 2.682 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CN(C(=O)N[C@@H]2CCCCc3cc(Br)ccc32)CCO1 ZINC000659628516 565220946 /nfs/dbraw/zinc/22/09/46/565220946.db2.gz QLMLAWSEXGUKIE-VUCTXSBTSA-N 1 0 396.329 2.974 20 0 GFADRO CC(C)[NH2+][C@H]1CCCN(C(=O)Cc2ccc(I)cc2)C1 ZINC000617106125 565221541 /nfs/dbraw/zinc/22/15/41/565221541.db2.gz MWKUCHNSJPTULT-HNNXBMFYSA-N 1 0 386.277 2.823 20 0 GFADRO C[C@@H](c1ccncc1)[N@H+](C)Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000639041143 565221744 /nfs/dbraw/zinc/22/17/44/565221744.db2.gz SMOPDTMCZZAWDB-NSHDSACASA-N 1 0 384.299 2.685 20 0 GFADRO COC(=O)c1cc(NC(=O)N[C@H](C[NH3+])CC(C)C)c(Br)cc1F ZINC000591287356 565222060 /nfs/dbraw/zinc/22/20/60/565222060.db2.gz QNHXKZZTAALOCF-VIFPVBQESA-N 1 0 390.253 2.870 20 0 GFADRO C[NH2+]C[C@H](C)NC(=O)C(=O)NCC1(c2ccc(Cl)cc2Cl)CCCC1 ZINC000659688372 565222378 /nfs/dbraw/zinc/22/23/78/565222378.db2.gz YJAZPAIMILDXDT-LBPRGKRZSA-N 1 0 386.323 2.646 20 0 GFADRO COC(=O)c1c(Br)ccc(NC(=O)N[C@@H]2CCC[NH2+]CC2)c1C ZINC000591301996 565222585 /nfs/dbraw/zinc/22/25/85/565222585.db2.gz IMWBHJLFRVAWOD-LLVKDONJSA-N 1 0 384.274 2.808 20 0 GFADRO CCOC(=O)c1c(NC(=O)NC[C@H]2CCCC[NH2+]2)sc2c1CCSC2 ZINC000591292476 565222847 /nfs/dbraw/zinc/22/28/47/565222847.db2.gz SNWDXBQIHWLVQA-LLVKDONJSA-N 1 0 383.539 2.978 20 0 GFADRO CC[NH+](CC)CCN(CCOC)S(=O)(=O)c1cccc(Cl)c1Cl ZINC000591398148 565228857 /nfs/dbraw/zinc/22/88/57/565228857.db2.gz KTGMXYZZWRPYEN-UHFFFAOYSA-N 1 0 383.341 2.972 20 0 GFADRO CCOC1CC(C[NH2+]CCNS(=O)(=O)c2cccc(Cl)c2Cl)C1 ZINC000639170464 565230016 /nfs/dbraw/zinc/23/00/16/565230016.db2.gz HQKXCCQPJWDTNE-UHFFFAOYSA-N 1 0 381.325 2.676 20 0 GFADRO C[N@@H+]1CCC[C@H](CNS(=O)(=O)c2ccc(N)cc2F)[C@H]1c1cccs1 ZINC000659914170 565231093 /nfs/dbraw/zinc/23/10/93/565231093.db2.gz IINUUZMHVBADTL-PXAZEXFGSA-N 1 0 383.514 2.831 20 0 GFADRO CCO[C@@H]1C[C@@H]([NH2+]CCCS(=O)(=O)c2ccc(Cl)cc2)[C@]12CCCO2 ZINC000639213893 565233201 /nfs/dbraw/zinc/23/32/01/565233201.db2.gz PXDDYCXCNVWTHN-KZNAEPCWSA-N 1 0 387.929 2.820 20 0 GFADRO CN(CC(=O)c1c[nH]c2ncc(Br)cc12)C[C@H]1CCC[N@H+](C)C1 ZINC000659947799 565234042 /nfs/dbraw/zinc/23/40/42/565234042.db2.gz NKXIJQKPRJUMMH-LBPRGKRZSA-N 1 0 379.302 2.782 20 0 GFADRO COc1nsc(C[NH2+][C@H]2CCO[C@H](c3ccnn3C)C2)c1Br ZINC000639243387 565234603 /nfs/dbraw/zinc/23/46/03/565234603.db2.gz GAZGOGBTEUSSIU-ONGXEEELSA-N 1 0 387.303 2.658 20 0 GFADRO C[C@H]1CCCN(C(=O)c2c(F)cccc2I)[C@H]1C[NH3+] ZINC000591676344 565235548 /nfs/dbraw/zinc/23/55/48/565235548.db2.gz MUUADFVAERAKMI-CABZTGNLSA-N 1 0 376.213 2.630 20 0 GFADRO CC(C)(CO)[C@H]([NH2+]Cc1ccc(Cl)c(S(N)(=O)=O)c1)c1cccs1 ZINC000639244675 565235361 /nfs/dbraw/zinc/23/53/61/565235361.db2.gz PUWDMPHQAVUGQV-OAHLLOKOSA-N 1 0 388.942 2.898 20 0 GFADRO CN1CC[NH+](CCCCNC(=O)Nc2ccc(Br)cc2F)CC1 ZINC000591657373 565235555 /nfs/dbraw/zinc/23/55/55/565235555.db2.gz DMUNRTBNLGEVLL-UHFFFAOYSA-N 1 0 387.297 2.737 20 0 GFADRO C[NH+](C)C[C@@H]1CCCCN1S(=O)(=O)c1c(F)cccc1OC(F)(F)F ZINC000660009388 565237539 /nfs/dbraw/zinc/23/75/39/565237539.db2.gz RJDFJXJBFRBHJK-NSHDSACASA-N 1 0 384.395 2.829 20 0 GFADRO C[NH+](C)C[C@@H]1CCCCN1S(=O)(=O)Cc1cc(F)ccc1Br ZINC000660006895 565237606 /nfs/dbraw/zinc/23/76/06/565237606.db2.gz FUXZQTPIQFQGAE-AWEZNQCLSA-N 1 0 393.322 2.834 20 0 GFADRO O=C(CN1CC[NH+](CC2CC=CC2)CC1)Nc1ccc(Br)cc1 ZINC000660010443 565238723 /nfs/dbraw/zinc/23/87/23/565238723.db2.gz MKUBYYLVPBKXFF-UHFFFAOYSA-N 1 0 378.314 2.971 20 0 GFADRO COc1nsc(C[NH2+][C@H](CO)[C@@H]2CCC[C@H](OC)C2)c1Br ZINC000639306735 565239102 /nfs/dbraw/zinc/23/91/02/565239102.db2.gz IFKUUEIWVBMFIB-OUAUKWLOSA-N 1 0 379.320 2.570 20 0 GFADRO CCN1CC[C@H]([NH+]2CCC(C(=O)Nc3ccc(Br)cc3)CC2)C1=O ZINC000660049758 565243545 /nfs/dbraw/zinc/24/35/45/565243545.db2.gz XZBBDSHLBRWCNL-INIZCTEOSA-N 1 0 394.313 2.720 20 0 GFADRO CCN(C(=O)c1c(O)cnc2c(Br)cccc21)[C@@H]1CC[N@H+](C)C1 ZINC000617551787 565245811 /nfs/dbraw/zinc/24/58/11/565245811.db2.gz ZLGZELKFRLVXDP-LLVKDONJSA-N 1 0 378.270 2.869 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CN(C)[C@@H]1CCN(C2CCC2)C1=O ZINC000639446801 565246690 /nfs/dbraw/zinc/24/66/90/565246690.db2.gz JBOPOENDCICUOM-MRXNPFEDSA-N 1 0 394.313 2.781 20 0 GFADRO OCCCOC1CC[NH+](C[C@H](O)COc2cc(Cl)cc(Cl)c2)CC1 ZINC000639514148 565248102 /nfs/dbraw/zinc/24/81/02/565248102.db2.gz BQLOFCYIWJDUNB-HNNXBMFYSA-N 1 0 378.296 2.597 20 0 GFADRO CC(=O)N1CC[C@@H](C[N@H+](C)C[C@H](O)COc2cc(Cl)cc(Cl)c2)C1 ZINC000639548281 565250000 /nfs/dbraw/zinc/25/00/00/565250000.db2.gz YZILYCRDHLEBPW-BBRMVZONSA-N 1 0 375.296 2.533 20 0 GFADRO O=C(NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1cc(Br)co1 ZINC000617696023 565251702 /nfs/dbraw/zinc/25/17/02/565251702.db2.gz AMDOIMVPBMDXFQ-OAHLLOKOSA-N 1 0 379.254 2.539 20 0 GFADRO O=C(NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1ccoc1Br ZINC000617703259 565251874 /nfs/dbraw/zinc/25/18/74/565251874.db2.gz FLDSPUUAGCTWBT-AWEZNQCLSA-N 1 0 379.254 2.539 20 0 GFADRO C[C@@H]1C[C@@H](N2CCOCC2)C[N@@H+]1C[C@@H](O)COc1cc(Cl)cc(Cl)c1 ZINC000639642664 565254107 /nfs/dbraw/zinc/25/41/07/565254107.db2.gz UKWVEJJSHDKNDE-KBRIMQKVSA-N 1 0 389.323 2.528 20 0 GFADRO O=C(Nc1ccc(F)cc1Br)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000617738929 565256855 /nfs/dbraw/zinc/25/68/55/565256855.db2.gz UZWXBSQWMZPKFE-CYBMUJFWSA-N 1 0 398.276 2.614 20 0 GFADRO COCC[N@@H+]1CCC[C@H](NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)C1 ZINC000592105118 565256844 /nfs/dbraw/zinc/25/68/44/565256844.db2.gz TZHOZHVVZOMETB-JSGCOSHPSA-N 1 0 375.296 2.988 20 0 GFADRO C[C@H](CCNC(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)c(Cl)c1)[NH+](C)C ZINC000617758085 565257513 /nfs/dbraw/zinc/25/75/13/565257513.db2.gz HTVUQOVAPPYHRW-CJBNDPTMSA-N 1 0 386.323 2.969 20 0 GFADRO C[NH+]1CCC2(CCN([C@H](C(N)=O)c3ccc(Br)cc3F)C2)CC1 ZINC000639757706 565257899 /nfs/dbraw/zinc/25/78/99/565257899.db2.gz OWZNBWAMSZXWRX-HNNXBMFYSA-N 1 0 384.293 2.532 20 0 GFADRO C[NH+]1CCC2(CCN(CC(=O)Nc3ccc(Br)cc3F)C2)CC1 ZINC000639758226 565257932 /nfs/dbraw/zinc/25/79/32/565257932.db2.gz RAMQUTRFVQTNHC-UHFFFAOYSA-N 1 0 384.293 2.944 20 0 GFADRO COc1cc(C[NH2+][C@H]([C@@H]2CCCO2)C2(CO)CCC2)c(Br)cn1 ZINC000639768045 565258801 /nfs/dbraw/zinc/25/88/01/565258801.db2.gz RBYCCFOEHRPCII-GOEBONIOSA-N 1 0 385.302 2.653 20 0 GFADRO C[NH+](C)CCC[C@H]1CN(S(=O)(=O)c2c(Cl)cc(F)cc2Cl)CCO1 ZINC000660155979 565260588 /nfs/dbraw/zinc/26/05/88/565260588.db2.gz IMBZWZBPFDVJTL-LBPRGKRZSA-N 1 0 399.315 2.864 20 0 GFADRO O=c1cc(C[N@H+]2CC[C@H](Oc3cncc(Br)c3)C2)nc(C2CC2)[nH]1 ZINC000639775850 565260665 /nfs/dbraw/zinc/26/06/65/565260665.db2.gz FLIPJUZMPHOJIY-AWEZNQCLSA-N 1 0 391.269 2.870 20 0 GFADRO C[NH+](C)C[C@H]1COC2(CCCC2)CN1S(=O)(=O)c1cc(Cl)ccc1F ZINC000660151922 565261017 /nfs/dbraw/zinc/26/10/17/565261017.db2.gz XSSCXTAWGXJAES-AWEZNQCLSA-N 1 0 390.908 2.743 20 0 GFADRO O[C@@H](COc1cc(F)cc(Br)c1)C[N@@H+]1CCC[C@H]1c1cn[nH]c1 ZINC000639779233 565262101 /nfs/dbraw/zinc/26/21/01/565262101.db2.gz ZGMULSBHLVQFBJ-ZBFHGGJFSA-N 1 0 384.249 2.888 20 0 GFADRO CN(CCCC[NH+]1CCCCC1)C(=O)Nc1cc(Br)cn(C)c1=O ZINC000639785606 565262228 /nfs/dbraw/zinc/26/22/28/565262228.db2.gz HGXMLOPNKZWHGH-UHFFFAOYSA-N 1 0 399.333 2.878 20 0 GFADRO CC(C)[NH2+]CCC(=O)NCc1cc(Cl)cc(I)c1 ZINC000592255097 565264910 /nfs/dbraw/zinc/26/49/10/565264910.db2.gz HJSAHPFZJFYGNJ-UHFFFAOYSA-N 1 0 380.657 2.949 20 0 GFADRO FC(F)(F)c1nnc(CN2CCC(CCC[NH+]3CCOCC3)CC2)s1 ZINC000660233937 565268545 /nfs/dbraw/zinc/26/85/45/565268545.db2.gz RVNWWOUYKDCULD-UHFFFAOYSA-N 1 0 378.464 2.881 20 0 GFADRO O=C(NCc1ccc(Br)s1)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000660280399 565269765 /nfs/dbraw/zinc/26/97/65/565269765.db2.gz POOFAWNXBZDCHQ-LBPRGKRZSA-N 1 0 388.331 2.563 20 0 GFADRO CO[C@@H]1CN(Cc2nc(-c3ccc(Br)s3)no2)[C@](C)(CO)C1 ZINC000639998519 565273012 /nfs/dbraw/zinc/27/30/12/565273012.db2.gz CZBYBOMSFACACZ-XPTSAGLGSA-N 1 0 388.287 2.532 20 0 GFADRO O=C(CCOc1ccc(Cl)c(Cl)c1)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000592403691 565273427 /nfs/dbraw/zinc/27/34/27/565273427.db2.gz FOECJXRVMQCEEC-IAGOWNOFSA-N 1 0 387.307 2.820 20 0 GFADRO O=C1C[C@H](C[N@H+]2CCC[C@H]2c2nc(-c3ccccc3Br)no2)CN1 ZINC000660382752 565273611 /nfs/dbraw/zinc/27/36/11/565273611.db2.gz UPPPQLDSPBEQGI-FZMZJTMJSA-N 1 0 391.269 2.772 20 0 GFADRO Brc1ccc2nc(CN3CCC[C@@H]([NH+]4CCOCC4)CC3)cn2c1 ZINC000660473945 565277665 /nfs/dbraw/zinc/27/76/65/565277665.db2.gz WNGBNVSUBFAHAH-QGZVFWFLSA-N 1 0 393.329 2.784 20 0 GFADRO COc1cccc(SCC[NH+]2CCC(S(=O)(=O)N3CCCC3)CC2)c1 ZINC000660483035 565277937 /nfs/dbraw/zinc/27/79/37/565277937.db2.gz KOIZNCWDLBQONL-UHFFFAOYSA-N 1 0 384.567 2.677 20 0 GFADRO CC(=O)NCCN(CCO[C@H]1CC1(F)F)Cc1ccc(Br)s1 ZINC000660484377 565278002 /nfs/dbraw/zinc/27/80/02/565278002.db2.gz FXKKPVUKCSTPRS-LBPRGKRZSA-N 1 0 397.285 2.873 20 0 GFADRO CNC(=O)c1cccc(NC(=O)NCC[N@@H+]2CCCC2(C)C)c1Br ZINC000640132609 565279048 /nfs/dbraw/zinc/27/90/48/565279048.db2.gz BHHOZOGRRZPSGJ-UHFFFAOYSA-N 1 0 397.317 2.805 20 0 GFADRO O=C(NCCc1ccccc1Br)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000660511485 565280164 /nfs/dbraw/zinc/28/01/64/565280164.db2.gz NKQPHMIMVTZEBL-INIZCTEOSA-N 1 0 396.329 2.544 20 0 GFADRO [NH3+]C[C@H]1CCCn2ncc(C(=O)N[C@H]3COc4c3ccc(Cl)c4Cl)c21 ZINC000592525628 565281302 /nfs/dbraw/zinc/28/13/02/565281302.db2.gz BRAJBAIFTILJAF-RNCFNFMXSA-N 1 0 381.263 2.890 20 0 GFADRO COC(=O)[C@H]1C[NH2+]CCCN1C(=O)CCCOc1cccc(Cl)c1Cl ZINC000592553104 565282263 /nfs/dbraw/zinc/28/22/63/565282263.db2.gz HSADVBDTSHAGML-CYBMUJFWSA-N 1 0 389.279 2.516 20 0 GFADRO O=C(N[C@@H]1CC[NH2+]C12CCCC2)c1cc(F)ccc1I ZINC000592571363 565282499 /nfs/dbraw/zinc/28/24/99/565282499.db2.gz XUPNBLAYSJCPIG-CYBMUJFWSA-N 1 0 388.224 2.835 20 0 GFADRO O=C(NCc1ccc(Br)cc1)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000660603233 565284835 /nfs/dbraw/zinc/28/48/35/565284835.db2.gz CLKYLVUCWZPBSB-INIZCTEOSA-N 1 0 382.302 2.502 20 0 GFADRO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)Nc1cscc1Br ZINC000640184817 565285752 /nfs/dbraw/zinc/28/57/52/565285752.db2.gz FUUWACQWXFKMKI-NSHDSACASA-N 1 0 377.352 2.904 20 0 GFADRO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)N1CCOc2cc(Br)ccc2C1 ZINC000660703041 565289512 /nfs/dbraw/zinc/28/95/12/565289512.db2.gz NPKKZDVMOQGYDT-MRXNPFEDSA-N 1 0 394.313 2.837 20 0 GFADRO CN(C(=O)c1ccn(CC[NH+](C)C)n1)[C@@H](CO)c1cccc(Cl)c1Cl ZINC000618343367 565292170 /nfs/dbraw/zinc/29/21/70/565292170.db2.gz XHICYPKVUTVWJT-HNNXBMFYSA-N 1 0 385.295 2.557 20 0 GFADRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)Nc1nn(CC(F)(F)F)cc1Cl ZINC000640293771 565294254 /nfs/dbraw/zinc/29/42/54/565294254.db2.gz YEPGWSORTLDYHD-GHMZBOCLSA-N 1 0 381.830 3.483 20 0 GFADRO CN(Cc1cc(Br)cs1)C(=O)C[N@H+](C1CC1)C1(CO)CCC1 ZINC000660773706 565294406 /nfs/dbraw/zinc/29/44/06/565294406.db2.gz KKTNDTMPXXTXBW-UHFFFAOYSA-N 1 0 387.343 2.848 20 0 GFADRO Cn1cc(Br)c(NC(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)n1 ZINC000640315561 565300946 /nfs/dbraw/zinc/30/09/46/565300946.db2.gz QLLKIPYTHLXAKL-CYBMUJFWSA-N 1 0 384.322 3.101 20 0 GFADRO CCC[N@H+](C)CC(=O)N1CCC(C(=O)Nc2cccc(Br)c2)CC1 ZINC000592862172 565302066 /nfs/dbraw/zinc/30/20/66/565302066.db2.gz VIOCTUHLHKTFHQ-UHFFFAOYSA-N 1 0 396.329 2.968 20 0 GFADRO O=C(N[C@H]1CC[N@@H+](C2CCCCC2)C1)c1cnn2cc(Br)cnc12 ZINC000618664265 565309917 /nfs/dbraw/zinc/30/99/17/565309917.db2.gz AKLMWKKPRRYSSM-ZDUSSCGKSA-N 1 0 392.301 2.629 20 0 GFADRO COC[C@H]([NH2+]Cc1cc2c(cc1Br)OCCO2)C1CCOCC1 ZINC000661161599 565311041 /nfs/dbraw/zinc/31/10/41/565311041.db2.gz XNDJXFWJWIKHIT-HNNXBMFYSA-N 1 0 386.286 2.752 20 0 GFADRO CO[C@@H]1CCC[C@H]([C@H](CO)[NH2+]CCC(=O)Nc2cccc(Br)c2)C1 ZINC000661216040 565313359 /nfs/dbraw/zinc/31/33/59/565313359.db2.gz GHPNGUCOJJDZOI-XKQJLSEDSA-N 1 0 399.329 2.933 20 0 GFADRO CO[C@@H]1CCC[C@@H]([C@H](CO)[NH2+]CC(=O)Nc2ccc(Br)cc2C)C1 ZINC000661215171 565313792 /nfs/dbraw/zinc/31/37/92/565313792.db2.gz BQZHBBASEPYUDS-UNEWFSDZSA-N 1 0 399.329 2.852 20 0 GFADRO CO[C@@H]1CCC[C@@H]([C@@H](CO)[NH2+]CCC(=O)Nc2ccccc2Br)C1 ZINC000661214842 565314260 /nfs/dbraw/zinc/31/42/60/565314260.db2.gz AWVSAICKTTYCBW-CKEIUWERSA-N 1 0 399.329 2.933 20 0 GFADRO C[C@H](NC(=O)Nc1cc(C[NH+](C)C)ccn1)c1ncc(Br)cn1 ZINC000640571922 565316912 /nfs/dbraw/zinc/31/69/12/565316912.db2.gz GSLBTQWZZSMMTH-JTQLQIEISA-N 1 0 379.262 2.578 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)N[C@@H](CO)c1cccc(Br)c1 ZINC000661404089 565322474 /nfs/dbraw/zinc/32/24/74/565322474.db2.gz SNRSMPIRBQFKGM-CABCVRRESA-N 1 0 384.318 2.655 20 0 GFADRO CO[C@@]1(CO)CCC[N@H+](Cc2ccnc(-c3ccc(Br)cc3)n2)C1 ZINC000661394005 565322953 /nfs/dbraw/zinc/32/29/53/565322953.db2.gz ZMZDVKIILTWFAQ-SFHVURJKSA-N 1 0 392.297 2.879 20 0 GFADRO C[C@@H](CO)[C@H]1CCCC[N@@H+]1CC(=O)c1c[nH]c2ncc(Br)cc12 ZINC000661440410 565323617 /nfs/dbraw/zinc/32/36/17/565323617.db2.gz HGRDAUXMMUHOSG-XHDPSFHLSA-N 1 0 380.286 2.991 20 0 GFADRO C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)n1cc([C@H]([NH3+])[C@@H]2CCCO2)nn1 ZINC000640781173 565326630 /nfs/dbraw/zinc/32/66/30/565326630.db2.gz FQFZHBAYHUJZTK-NKZPBKNFSA-N 1 0 384.267 2.963 20 0 GFADRO COCC[NH2+]CCc1cn([C@H](C)C(=O)Nc2ccc(Cl)cc2Cl)nn1 ZINC000640782378 565326923 /nfs/dbraw/zinc/32/69/23/565326923.db2.gz MZMKRXFYZNVQBQ-LLVKDONJSA-N 1 0 386.283 2.563 20 0 GFADRO [NH3+]C1CCN(CCc2cn(CCOc3c(Cl)cccc3Cl)nn2)CC1 ZINC000640837209 565330358 /nfs/dbraw/zinc/33/03/58/565330358.db2.gz LDUQMHAIIUVDAJ-UHFFFAOYSA-N 1 0 384.311 2.630 20 0 GFADRO Cn1cc(CSCC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)cn1 ZINC000593436141 565331342 /nfs/dbraw/zinc/33/13/42/565331342.db2.gz FAFYCUCZOGDZQD-UHFFFAOYSA-N 1 0 376.551 2.841 20 0 GFADRO C[C@@H](NC(=O)Cn1cc(C[C@H]2CC[NH2+]C2)nn1)c1ccc(Cl)c(Cl)c1 ZINC000640848080 565331364 /nfs/dbraw/zinc/33/13/64/565331364.db2.gz NDDMQCGLACCBOB-VXGBXAGGSA-N 1 0 382.295 2.614 20 0 GFADRO C[NH+](C)[C@H]1CCCN(c2ncnc3cc(I)sc32)C1 ZINC000593461027 565332132 /nfs/dbraw/zinc/33/21/32/565332132.db2.gz GKIFTNRYAWQPNX-VIFPVBQESA-N 1 0 388.278 2.826 20 0 GFADRO CC(C)[NH+]1CCN(c2ncnc3cc(I)sc32)CC1 ZINC000593457458 565332839 /nfs/dbraw/zinc/33/28/39/565332839.db2.gz LRAYLBZQXAIZLV-UHFFFAOYSA-N 1 0 388.278 2.826 20 0 GFADRO CC[C@H](C)NC(=O)[C@@H](C)n1cc([C@@H]([NH3+])c2ccc(Br)cc2)nn1 ZINC000640900846 565335389 /nfs/dbraw/zinc/33/53/89/565335389.db2.gz CXERJIAJPXSXQZ-RWSFTLGLSA-N 1 0 380.290 2.564 20 0 GFADRO C[C@@H](C(=O)Nc1ccc(Cl)c(Cl)c1)n1cc(CN(C)CCC[NH3+])nn1 ZINC000640924182 565337841 /nfs/dbraw/zinc/33/78/41/565337841.db2.gz KAVQDGCSAVJVCZ-NSHDSACASA-N 1 0 385.299 2.565 20 0 GFADRO C[C@H](O)[C@H]1CCC[N@@H+]1C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000661772358 565338194 /nfs/dbraw/zinc/33/81/94/565338194.db2.gz YAGJRPFLMJVOHV-ZKYQVNSYSA-N 1 0 378.694 2.687 20 0 GFADRO Cn1cc(C[C@H]2CCC[C@H]2[NH2+]CC(=O)Nc2ccc(Br)cn2)cn1 ZINC000661775926 565338305 /nfs/dbraw/zinc/33/83/05/565338305.db2.gz DRIBHGYAJIITGE-UKRRQHHQSA-N 1 0 392.301 2.517 20 0 GFADRO C[C@H](c1ccc(Cl)c(Cl)c1)n1cc(CNC(=O)C2CC[NH2+]CC2)nn1 ZINC000640989739 565339773 /nfs/dbraw/zinc/33/97/73/565339773.db2.gz GNQWARSIOMXQNS-LLVKDONJSA-N 1 0 382.295 2.810 20 0 GFADRO C[NH2+]C(C)(C)c1cn(Cc2noc(Cc3ccc(Br)cc3)n2)nn1 ZINC000641042816 565343192 /nfs/dbraw/zinc/34/31/92/565343192.db2.gz QVHOCUYMRFPYFN-UHFFFAOYSA-N 1 0 391.273 2.517 20 0 GFADRO O=C(N[C@@H]1CCC[NH2+]CC1)N1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000641052753 565343692 /nfs/dbraw/zinc/34/36/92/565343692.db2.gz OMMQBYMQALQINT-HZPDHXFCSA-N 1 0 382.302 2.674 20 0 GFADRO [NH3+][C@H](c1cn(Cc2nc(C3CCC3)no2)nn1)c1ccc(Br)cc1 ZINC000641067746 565345022 /nfs/dbraw/zinc/34/50/22/565345022.db2.gz YGVBBNHPKQEBGA-HNNXBMFYSA-N 1 0 389.257 2.788 20 0 GFADRO CC[C@@](C)([NH3+])c1cn([C@H]2CCN(c3cccc(Br)c3)C2=O)nn1 ZINC000641105057 565345826 /nfs/dbraw/zinc/34/58/26/565345826.db2.gz OHNAXQROMIJEQH-XJKSGUPXSA-N 1 0 378.274 2.603 20 0 GFADRO [NH3+]CCCCc1cn(Cc2cc3c(cc2Br)OCCCO3)nn1 ZINC000641120381 565346928 /nfs/dbraw/zinc/34/69/28/565346928.db2.gz DSGJSZIEDGMGTH-UHFFFAOYSA-N 1 0 381.274 2.532 20 0 GFADRO COCC[NH2+]CCc1cn([C@H]2CCCc3ccc(Br)cc32)nn1 ZINC000641122641 565348693 /nfs/dbraw/zinc/34/86/93/565348693.db2.gz KSUIRLWVSXUQQU-KRWDZBQOSA-N 1 0 379.302 2.745 20 0 GFADRO O=C1CCCN1C[C@H]1CC[N@@H+](C[C@@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000662062905 565348838 /nfs/dbraw/zinc/34/88/38/565348838.db2.gz SBLYPNMLWJAKBQ-DZGCQCFKSA-N 1 0 387.307 2.677 20 0 GFADRO CC[NH2+]Cc1ccn(Cc2cn(Cc3ccc(C)c(Br)c3)nn2)n1 ZINC000641140097 565349352 /nfs/dbraw/zinc/34/93/52/565349352.db2.gz YUWDZOKHBITEBH-UHFFFAOYSA-N 1 0 389.301 2.752 20 0 GFADRO [NH3+][C@@H](c1cn(C[C@H](O)COCc2cccs2)nn1)c1ccc(Cl)cc1 ZINC000641196960 565353583 /nfs/dbraw/zinc/35/35/83/565353583.db2.gz CTIKVIKJTRSHEG-WMLDXEAASA-N 1 0 378.885 2.619 20 0 GFADRO [NH3+]C[C@@H]1CN(Cc2cccc(OCC(F)(F)F)c2Br)CCCO1 ZINC000662280997 565357229 /nfs/dbraw/zinc/35/72/29/565357229.db2.gz JSMQPNZQCBDCND-GFCCVEGCSA-N 1 0 397.235 2.940 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CN(Cc2cccc(OCC(F)(F)F)c2Br)CCO1 ZINC000662248109 565357677 /nfs/dbraw/zinc/35/76/77/565357677.db2.gz UBKFAVRPLPERSL-GWCFXTLKSA-N 1 0 397.235 2.938 20 0 GFADRO CC[NH+]1CCC(NC(=O)CN2C[C@@H](C)Oc3cc(Br)ccc32)CC1 ZINC000662303858 565359588 /nfs/dbraw/zinc/35/95/88/565359588.db2.gz YXAGGCOTAAKEPJ-CYBMUJFWSA-N 1 0 396.329 2.637 20 0 GFADRO CN(CC(=O)Nc1nc(-c2ccc(F)cc2)cs1)[C@H](C[NH3+])C(F)(F)F ZINC000662333029 565361369 /nfs/dbraw/zinc/36/13/69/565361369.db2.gz SETOJCIBYJUELH-GFCCVEGCSA-N 1 0 376.379 2.709 20 0 GFADRO CNS(=O)(=O)c1ccccc1NCC1CC[NH+](Cc2cccs2)CC1 ZINC000641318585 565361676 /nfs/dbraw/zinc/36/16/76/565361676.db2.gz BUGUYVZTWBPSFY-UHFFFAOYSA-N 1 0 379.551 2.980 20 0 GFADRO C[NH+](C)Cc1ccccc1CNC(=O)[C@H](N)c1ccccc1Br ZINC000662354393 565362068 /nfs/dbraw/zinc/36/20/68/565362068.db2.gz FKYIWJNQXJVZNE-QGZVFWFLSA-N 1 0 376.298 2.827 20 0 GFADRO CCC[N@@H+]1CC[C@@H](NC(=O)c2cc(=O)c3cc(Br)ccc3[nH]2)C1 ZINC000619899288 565362350 /nfs/dbraw/zinc/36/23/50/565362350.db2.gz LWAAOGNECHFNAG-GFCCVEGCSA-N 1 0 378.270 2.505 20 0 GFADRO C[N@H+](CCCO)C1CCN(c2ncnc(C(F)(F)F)c2Br)CC1 ZINC000641381026 565367412 /nfs/dbraw/zinc/36/74/12/565367412.db2.gz NNGKCOIBWKPEQP-UHFFFAOYSA-N 1 0 397.239 2.541 20 0 GFADRO [NH3+]CC1(CCNC(=O)c2ccc(I)cc2Cl)CC1 ZINC000593914994 565367456 /nfs/dbraw/zinc/36/74/56/565367456.db2.gz SFSXUGIYYISOPX-UHFFFAOYSA-N 1 0 378.641 2.803 20 0 GFADRO O=C(CNC(=O)[C@@]1(C(F)(F)F)CC[NH2+]C1)Nc1cc(Cl)ccc1Cl ZINC000662443974 565368457 /nfs/dbraw/zinc/36/84/57/565368457.db2.gz CLEDOEWWDONJCB-CYBMUJFWSA-N 1 0 384.185 2.590 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)c1cn([C@@H]2CCC[NH2+]CC2)nn1 ZINC000662467143 565370017 /nfs/dbraw/zinc/37/00/17/565370017.db2.gz PPKWNOYBMLJCND-CYBMUJFWSA-N 1 0 378.274 2.916 20 0 GFADRO O=C(N[C@@H]1CCN(c2cccc(Cl)c2)C1=O)c1cc2c(s1)CC[NH2+]C2 ZINC000662491447 565371234 /nfs/dbraw/zinc/37/12/34/565371234.db2.gz HCXJNDZYYLKQOD-CQSZACIVSA-N 1 0 375.881 2.583 20 0 GFADRO COC1CC[NH+](C(C)(C)CNS(=O)(=O)c2cc(F)ccc2Cl)CC1 ZINC000594033835 565373067 /nfs/dbraw/zinc/37/30/67/565373067.db2.gz RPUPNCOZEZOTBA-UHFFFAOYSA-N 1 0 378.897 2.647 20 0 GFADRO COc1cc(Cl)ccc1S(=O)(=O)NCC(C)(C)[NH+]1CCC(OC)CC1 ZINC000594033796 565373292 /nfs/dbraw/zinc/37/32/92/565373292.db2.gz LTOSRVMNZLJBTF-UHFFFAOYSA-N 1 0 390.933 2.516 20 0 GFADRO CC[C@@H]([NH2+]C)C(=O)Nc1cc(Cl)c(NC(=O)c2cnccn2)c(Cl)c1 ZINC000662531465 565375046 /nfs/dbraw/zinc/37/50/46/565375046.db2.gz GAZBZXSUANFXHZ-GFCCVEGCSA-N 1 0 382.251 2.972 20 0 GFADRO CC(C)[NH2+]CC(=O)N(CCn1ccnc1)Cc1ccccc1Br ZINC000662547010 565376363 /nfs/dbraw/zinc/37/63/63/565376363.db2.gz XXEMKUOGWGNGQH-UHFFFAOYSA-N 1 0 379.302 2.672 20 0 GFADRO N[C@@H](C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1)c1ccccc1Br ZINC000662667522 565380414 /nfs/dbraw/zinc/38/04/14/565380414.db2.gz BSYOBKOZWWJFJX-SUMWQHHRSA-N 1 0 380.330 2.972 20 0 GFADRO O=C(c1c[nH]nc1[C@H]1CC[NH2+]C1)N1CCc2c(F)cc(Br)cc2C1 ZINC000662658024 565380524 /nfs/dbraw/zinc/38/05/24/565380524.db2.gz YXVZHVQEULUZQA-JTQLQIEISA-N 1 0 393.260 2.587 20 0 GFADRO O=C([C@@H]1CC[C@@H](C2CC2)[NH2+]1)N1CCN(c2ccc(Br)cc2)CC1 ZINC000662656864 565380935 /nfs/dbraw/zinc/38/09/35/565380935.db2.gz VJFUDLRVAXYUJL-IRXDYDNUSA-N 1 0 378.314 2.628 20 0 GFADRO O=C([C@@H]1C[C@H]1C1CC[NH2+]CC1)N1CCOC[C@@H]1c1ccc(Br)cc1 ZINC000662661330 565381004 /nfs/dbraw/zinc/38/10/04/565381004.db2.gz PKRUFLOZUKCJKQ-RCCFBDPRSA-N 1 0 393.325 2.985 20 0 GFADRO [NH3+]CC12CC(C1)CN2C(=O)CCc1ncc(-c2ccccc2Br)o1 ZINC000662679004 565381788 /nfs/dbraw/zinc/38/17/88/565381788.db2.gz LPYYNIADZVNGJL-UHFFFAOYSA-N 1 0 390.281 2.986 20 0 GFADRO [NH3+]CCCC(=O)N1CCc2cc(Br)c(Br)cc2C1 ZINC000662734715 565383143 /nfs/dbraw/zinc/38/31/43/565383143.db2.gz HKBXFNRJTZCVHX-UHFFFAOYSA-N 1 0 376.092 2.835 20 0 GFADRO Cn1cc(Br)c(C(=O)N2CC[NH2+]C[C@H]2c2cccc(Cl)c2)n1 ZINC000662774916 565384268 /nfs/dbraw/zinc/38/42/68/565384268.db2.gz UUEGBHRNHLLOJI-ZDUSSCGKSA-N 1 0 383.677 2.623 20 0 GFADRO O=C(Nc1cc(F)c(I)c(F)c1)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000594436143 565385304 /nfs/dbraw/zinc/38/53/04/565385304.db2.gz IDLILNXGVIBHEI-OTYXRUKQSA-N 1 0 392.187 2.898 20 0 GFADRO O=C(c1ccc(Br)c(Cl)c1)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000620483076 565386114 /nfs/dbraw/zinc/38/61/14/565386114.db2.gz XYGKPQVSIFRKBS-CYBMUJFWSA-N 1 0 387.705 2.774 20 0 GFADRO O=C(C(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1)c1ccc(Br)cc1 ZINC000662845735 565387459 /nfs/dbraw/zinc/38/74/59/565387459.db2.gz JZGQRGXKPXAFDD-OAHLLOKOSA-N 1 0 379.298 2.870 20 0 GFADRO CCC[N@H+](C)CC(C)(C)NC(=O)c1cc(Cn2cc(Br)cn2)on1 ZINC000620623402 565389148 /nfs/dbraw/zinc/38/91/48/565389148.db2.gz SERAZLISKTZWME-UHFFFAOYSA-N 1 0 398.305 2.532 20 0 GFADRO C[NH2+]C[C@H](C)NC(=O)c1ccc(OCc2cc(C)on2)c(Br)c1 ZINC000662963192 565390491 /nfs/dbraw/zinc/39/04/91/565390491.db2.gz RNAYATCKUKPRDJ-JTQLQIEISA-N 1 0 382.258 2.662 20 0 GFADRO C[C@@]([NH3+])(C(=O)N1CCO[C@@H](CC(F)(F)F)C1)c1ccc(Br)cc1 ZINC000662950526 565390577 /nfs/dbraw/zinc/39/05/77/565390577.db2.gz MJVFHKPCMGXJSL-JSGCOSHPSA-N 1 0 395.219 2.803 20 0 GFADRO O=C(N[C@H]1CCC[N@H+](CCN2CCOCC2)C1)c1cc(Cl)sc1Cl ZINC000641666393 565391346 /nfs/dbraw/zinc/39/13/46/565391346.db2.gz XAHOXYKWAXCJFO-LBPRGKRZSA-N 1 0 392.352 2.581 20 0 GFADRO CN(C)c1cc[nH+]cc1C(=O)N1CCOc2cc(Br)ccc2C1 ZINC000620708431 565393283 /nfs/dbraw/zinc/39/32/83/565393283.db2.gz KRRUYGCGLOXMKB-UHFFFAOYSA-N 1 0 376.254 2.945 20 0 GFADRO Clc1cc(C[NH2+][C@H]2CCCN(CCN3CCOCC3)C2)c(Cl)s1 ZINC000641787168 565399638 /nfs/dbraw/zinc/39/96/38/565399638.db2.gz PHBLEEWZPRZYCM-AWEZNQCLSA-N 1 0 378.369 2.941 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCCN(CCN2CCOCC2)C1)c1ccc(Br)cc1 ZINC000641789077 565399657 /nfs/dbraw/zinc/39/96/57/565399657.db2.gz YJQFXQLABWKCTE-QFBILLFUSA-N 1 0 396.373 2.896 20 0 GFADRO C[C@@H]([NH2+][C@H]1CCCN(CCN2CCOCC2)C1)c1ccc(Br)cc1 ZINC000641789075 565399919 /nfs/dbraw/zinc/39/99/19/565399919.db2.gz YJQFXQLABWKCTE-APWZRJJASA-N 1 0 396.373 2.896 20 0 GFADRO COC(=O)[C@@H]1CC[N@H+](Cc2cn(-c3ccccc3Br)nc2C)C1 ZINC000594597774 565401566 /nfs/dbraw/zinc/40/15/66/565401566.db2.gz UKOQSMLSPGTERW-CYBMUJFWSA-N 1 0 378.270 2.938 20 0 GFADRO C[C@H](CC(=O)NCC1CC[NH+](CC2CC2)CC1)n1cc(Br)cn1 ZINC000620938274 565402228 /nfs/dbraw/zinc/40/22/28/565402228.db2.gz STLNOQCMETTYKX-CYBMUJFWSA-N 1 0 383.334 2.835 20 0 GFADRO C[NH+](C)CCC[C@@H]1CN(C(=O)CCc2ccc(Br)cc2)CCO1 ZINC000620970095 565402867 /nfs/dbraw/zinc/40/28/67/565402867.db2.gz LGGLUZZKZXQZPG-QGZVFWFLSA-N 1 0 383.330 2.951 20 0 GFADRO C[NH+](C)CCC[C@H]1CN(C(=O)c2n[nH]c3ccc(Br)cc32)CCO1 ZINC000620969711 565403172 /nfs/dbraw/zinc/40/31/72/565403172.db2.gz HBIUXYAXTYRIRG-ZDUSSCGKSA-N 1 0 395.301 2.508 20 0 GFADRO O=C(NC[C@H]1C[NH2+]CCCO1)N1CCC[C@@H]1c1ccccc1Br ZINC000642000887 565404664 /nfs/dbraw/zinc/40/46/64/565404664.db2.gz DWZYTYSRKGVRMO-CZUORRHYSA-N 1 0 382.302 2.674 20 0 GFADRO C[C@@H](CC(=O)NC[C@@H]1CCC[N@H+](CC2CC2)C1)n1cc(Br)cn1 ZINC000621099751 565406327 /nfs/dbraw/zinc/40/63/27/565406327.db2.gz AJCQXADGLKKZFS-ZFWWWQNUSA-N 1 0 383.334 2.835 20 0 GFADRO CC(C)[C@@H]1CN(C(=O)CNC(=O)c2sc3ccccc3c2Cl)CC[NH2+]1 ZINC000621148407 565408325 /nfs/dbraw/zinc/40/83/25/565408325.db2.gz OLQCGWYNHFNLDS-ZDUSSCGKSA-N 1 0 379.913 2.741 20 0 GFADRO CCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000642246648 565408628 /nfs/dbraw/zinc/40/86/28/565408628.db2.gz UGVAYERSKHMKTL-DGCLKSJQSA-N 1 0 379.306 2.729 20 0 GFADRO CN([C@@H](C[NH3+])C(F)(F)F)S(=O)(=O)c1cccc(Cl)c1Br ZINC000663310556 565412007 /nfs/dbraw/zinc/41/20/07/565412007.db2.gz IHRFZBWDXQZRGJ-QMMMGPOBSA-N 1 0 395.628 2.613 20 0 GFADRO O[C@@H](C[NH2+]C1CCN([C@@H]2CCOC2)CC1)COc1ccc(Cl)cc1Cl ZINC000663363110 565414754 /nfs/dbraw/zinc/41/47/54/565414754.db2.gz HKUWDPQQSZYTLR-CVEARBPZSA-N 1 0 389.323 2.576 20 0 GFADRO COc1cc(CN2CC[N@@H+](C3CCOCC3)C[C@@H]2C)c(Br)cn1 ZINC000621287530 565415857 /nfs/dbraw/zinc/41/58/57/565415857.db2.gz RLLBATFZVVFARX-ZDUSSCGKSA-N 1 0 384.318 2.538 20 0 GFADRO COCC[N@H+](C)CCCNC(=O)NCc1ccc(-c2csc(C)n2)s1 ZINC000642666912 565416030 /nfs/dbraw/zinc/41/60/30/565416030.db2.gz LQJFQWPHSPDLSR-UHFFFAOYSA-N 1 0 382.555 2.948 20 0 GFADRO CCn1nccc1C[NH2+]C[C@H](O)COc1ccc(Cl)cc1Br ZINC000663377451 565416997 /nfs/dbraw/zinc/41/69/97/565416997.db2.gz RCIUOBFROLJDJF-ZDUSSCGKSA-N 1 0 388.693 2.848 20 0 GFADRO CNS(=O)(=O)CC[NH2+][C@H]1CCCSc2ccc(Br)cc21 ZINC000663443717 565421052 /nfs/dbraw/zinc/42/10/52/565421052.db2.gz FZCGLEAAIZYXLR-LBPRGKRZSA-N 1 0 379.345 2.515 20 0 GFADRO Brc1ccc([C@H]2C[C@H](Nc3ccnc(N4CCOCC4)n3)C2)cc1 ZINC000643167085 565422096 /nfs/dbraw/zinc/42/20/96/565422096.db2.gz NBLNSYRARRREFK-FZNQNYSPSA-N 1 0 389.297 3.434 20 0 GFADRO CC(=O)N1CC[C@@H]([NH2+]C2CCN(Cc3ccccc3Br)CC2)C1 ZINC000621387808 565423294 /nfs/dbraw/zinc/42/32/94/565423294.db2.gz PDGZDZIOFSWVKA-QGZVFWFLSA-N 1 0 380.330 2.624 20 0 GFADRO C[C@H](C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1)c1cccc(Br)c1 ZINC000643209310 565424743 /nfs/dbraw/zinc/42/47/43/565424743.db2.gz LHEHGZVARGZMRN-MAUKXSAKSA-N 1 0 394.357 2.791 20 0 GFADRO O=S(=O)(NCC[NH2+][C@H]1CCc2cccnc2CC1)c1ccc(Cl)s1 ZINC000643347277 565430327 /nfs/dbraw/zinc/43/03/27/565430327.db2.gz USZOVGIPWWEPJT-ZDUSSCGKSA-N 1 0 385.942 2.612 20 0 GFADRO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)NCc1ccc(Br)s1 ZINC000663692742 565431170 /nfs/dbraw/zinc/43/11/70/565431170.db2.gz ICDDNTRFVNNAHX-LBPRGKRZSA-N 1 0 391.379 2.582 20 0 GFADRO O=C(c1cc2c(cc1Br)OCO2)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000621642301 565434123 /nfs/dbraw/zinc/43/41/23/565434123.db2.gz JUCQYOOOTWYXGE-FZMZJTMJSA-N 1 0 381.270 2.782 20 0 GFADRO CCc1ccc([C@@H]2C[NH2+]CCN2C(=O)c2cc(Br)c[nH]c2=O)cc1 ZINC000621656858 565434848 /nfs/dbraw/zinc/43/48/48/565434848.db2.gz YHYUFAWPCXHQPP-INIZCTEOSA-N 1 0 390.281 2.899 20 0 GFADRO O=C(c1cc(Br)c[nH]c1=O)N1CC[NH2+]C[C@@H]1c1cccc(Cl)c1 ZINC000621655813 565434967 /nfs/dbraw/zinc/43/49/67/565434967.db2.gz AMNAZYNGHHRRGP-CQSZACIVSA-N 1 0 396.672 2.990 20 0 GFADRO C[C@H]1CN(CC[NH2+]Cc2cc(Cl)ccc2I)CCO1 ZINC000594919304 565435638 /nfs/dbraw/zinc/43/56/38/565435638.db2.gz HVPQRWWOVGQIBK-NSHDSACASA-N 1 0 394.684 2.755 20 0 GFADRO [NH3+][C@]12CCC[C@H]1CN(C(=O)c1cc(-c3ccc(Br)cc3)n[nH]1)C2 ZINC000621691527 565436930 /nfs/dbraw/zinc/43/69/30/565436930.db2.gz AGKMTKRABAVIPM-SJCJKPOMSA-N 1 0 375.270 2.793 20 0 GFADRO [NH3+][C@@]12CCC[C@@H]1CN(C(=O)c1cnn(-c3ccc(Br)cc3)c1)C2 ZINC000621695509 565437035 /nfs/dbraw/zinc/43/70/35/565437035.db2.gz WDXPCDDOYUFZEF-CXAGYDPISA-N 1 0 375.270 2.588 20 0 GFADRO COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]C[C@@H](CO)Cc1ccc(F)c(Br)c1 ZINC000594947469 565437186 /nfs/dbraw/zinc/43/71/86/565437186.db2.gz ADVNVCFACPRMLN-YXCITZCRSA-N 1 0 388.277 2.526 20 0 GFADRO [NH3+][C@@]12CCC[C@@H]1CN(C(=O)c1ncc(Br)cc1Br)C2 ZINC000621680616 565437347 /nfs/dbraw/zinc/43/73/47/565437347.db2.gz FIHAGIHQFMNTML-AMIZOPFISA-N 1 0 389.091 2.560 20 0 GFADRO C[S@](=O)[C@H]1CCC[C@@H]([NH2+]Cc2ncc(I)s2)C1 ZINC000594963090 565438450 /nfs/dbraw/zinc/43/84/50/565438450.db2.gz AYYDZKXMKHCRID-NMIRZEMHSA-N 1 0 384.308 2.527 20 0 GFADRO C[C@H](NC(=O)N(CC[NH+](C)C)CC(=O)N(C)C)c1cc(Cl)ccc1Cl ZINC000663858181 565439603 /nfs/dbraw/zinc/43/96/03/565439603.db2.gz NVYGDJRFWXCZPM-LBPRGKRZSA-N 1 0 389.327 2.716 20 0 GFADRO O=C(NCCOc1cccc(Br)c1)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000594977703 565439826 /nfs/dbraw/zinc/43/98/26/565439826.db2.gz IFNJCCQXGQIRFC-OAHLLOKOSA-N 1 0 382.302 2.611 20 0 GFADRO O=C(NC1CC[NH+](CC2CCCC2)CC1)c1cc(Br)c[nH]c1=O ZINC000621761450 565440721 /nfs/dbraw/zinc/44/07/21/565440721.db2.gz FKLZDXDFZNUSGQ-UHFFFAOYSA-N 1 0 382.302 2.934 20 0 GFADRO COCC[C@@](C)(O)C[NH2+][C@H]1CCc2ccc(I)cc21 ZINC000595009363 565442627 /nfs/dbraw/zinc/44/26/27/565442627.db2.gz RKEPJEUSQXSKHQ-LSDHHAIUSA-N 1 0 375.250 2.656 20 0 GFADRO O[C@H](C[NH2+][C@@H]1CCc2ccc(I)cc21)C1CCOCC1 ZINC000595019097 565443107 /nfs/dbraw/zinc/44/31/07/565443107.db2.gz IBWBNCDXCQMIIU-HZPDHXFCSA-N 1 0 387.261 2.656 20 0 GFADRO O[C@@H](C[NH2+][C@H]1CCc2ccc(I)cc21)C1CCOCC1 ZINC000595019096 565443893 /nfs/dbraw/zinc/44/38/93/565443893.db2.gz IBWBNCDXCQMIIU-HOTGVXAUSA-N 1 0 387.261 2.656 20 0 GFADRO CCNC(=O)N1CC[C@H]([NH2+][C@@H]2CCc3ccc(I)cc32)C1 ZINC000595021986 565443947 /nfs/dbraw/zinc/44/39/47/565443947.db2.gz IQHJDGGCNAKVNQ-DZGCQCFKSA-N 1 0 399.276 2.672 20 0 GFADRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)NCC(F)(F)c1ccc(Br)cc1 ZINC000621851110 565444380 /nfs/dbraw/zinc/44/43/80/565444380.db2.gz LVYJCYURGJWLDD-QWRGUYRKSA-N 1 0 376.245 2.920 20 0 GFADRO O=C(NCC(F)(F)c1ccc(Br)cc1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000621850820 565444737 /nfs/dbraw/zinc/44/47/37/565444737.db2.gz DZLUWUWSRLRIHB-SMDDNHRTSA-N 1 0 388.256 2.934 20 0 GFADRO C[S@@](=O)C1(C[NH2+][C@@H]2CCc3ccc(I)cc32)CC1 ZINC000595037580 565445043 /nfs/dbraw/zinc/44/50/43/565445043.db2.gz BOTKSUNPMDEJQW-FZKQIMNGSA-N 1 0 375.275 2.779 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)NCC(F)(F)c2ccc(Br)cc2)CC[NH2+]1 ZINC000621848479 565445233 /nfs/dbraw/zinc/44/52/33/565445233.db2.gz YWUHSLBRWZWFAL-MFKMUULPSA-N 1 0 376.245 2.981 20 0 GFADRO CCN1C[C@H](C[NH2+][C@@H]2CCc3ccc(I)cc32)CC1=O ZINC000595044839 565446194 /nfs/dbraw/zinc/44/61/94/565446194.db2.gz FYWGYTQPVAZTCL-XHDPSFHLSA-N 1 0 384.261 2.737 20 0 GFADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc3c(cc2Br)OCO3)C1 ZINC000621891032 565447658 /nfs/dbraw/zinc/44/76/58/565447658.db2.gz RHKJISFASVHHNZ-LBPRGKRZSA-N 1 0 383.286 2.982 20 0 GFADRO OCC1([NH2+]CC2CC2)CCN(c2ncnc3ccc(Br)cc32)CC1 ZINC000663989748 565448244 /nfs/dbraw/zinc/44/82/44/565448244.db2.gz CHLSKOUZHVUFOV-UHFFFAOYSA-N 1 0 391.313 2.723 20 0 GFADRO Cc1nc(C)c(C(=O)N(CC[NH+](C)C)Cc2ccc(Br)cc2)[nH]1 ZINC000621922343 565448400 /nfs/dbraw/zinc/44/84/00/565448400.db2.gz WQQJQAZPGUYUGT-UHFFFAOYSA-N 1 0 379.302 2.993 20 0 GFADRO Cc1c2cc(C(=O)NC[C@@](C)(O)CC[NH+](C)C)[nH]c2ccc1Br ZINC000621960510 565452303 /nfs/dbraw/zinc/45/23/03/565452303.db2.gz YLTBCEQXZRSAHS-KRWDZBQOSA-N 1 0 382.302 2.671 20 0 GFADRO COc1nc(NCC2CC[NH+](C3CCOCC3)CC2)ncc1Br ZINC000664151129 565453543 /nfs/dbraw/zinc/45/35/43/565453543.db2.gz PQQUPXWWTMQOFS-UHFFFAOYSA-N 1 0 385.306 2.551 20 0 GFADRO [NH3+][C@]12CCC[C@@H]1CN(S(=O)(=O)c1ccc(Br)cc1Cl)C2 ZINC000622013712 565455489 /nfs/dbraw/zinc/45/54/89/565455489.db2.gz UUDYPDIRWRLZNR-RNCFNFMXSA-N 1 0 379.707 2.604 20 0 GFADRO [NH3+][C@H]1CCC[C@H](NC(=O)Nc2ccc(I)cc2F)C1 ZINC000595234157 565456847 /nfs/dbraw/zinc/45/68/47/565456847.db2.gz FTKHUUYELBTZGK-UWVGGRQHSA-N 1 0 377.201 2.822 20 0 GFADRO O=C(Nc1ccc(I)cc1F)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000595236444 565457124 /nfs/dbraw/zinc/45/71/24/565457124.db2.gz ZNHOTQZOUGUWCP-NOZJJQNGSA-N 1 0 389.212 2.646 20 0 GFADRO COC(=O)c1cc(NC(=O)NCC2([NH3+])CCCC2)c(Br)cc1F ZINC000595230928 565457146 /nfs/dbraw/zinc/45/71/46/565457146.db2.gz XZZGBJQLRKRYCB-UHFFFAOYSA-N 1 0 388.237 2.768 20 0 GFADRO [NH3+]CC12CC(C1)CN2C(=O)Nc1cc(I)ccc1Cl ZINC000595237450 565458182 /nfs/dbraw/zinc/45/81/82/565458182.db2.gz ZOAVCZIUYIIBIM-UHFFFAOYSA-N 1 0 391.640 2.900 20 0 GFADRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1cc2c(cc1Br)OCO2 ZINC000622052487 565459512 /nfs/dbraw/zinc/45/95/12/565459512.db2.gz QJVKUZTVIDXYMK-FZMZJTMJSA-N 1 0 381.270 2.877 20 0 GFADRO O=C(N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1cc(F)c(Cl)cc1Cl ZINC000644135063 565460136 /nfs/dbraw/zinc/46/01/36/565460136.db2.gz JRUQIPDGCJWOHM-ZBFHGGJFSA-N 1 0 388.270 2.509 20 0 GFADRO C[C@H](CCC[NH3+])NC(=O)NCc1cc(Cl)ccc1I ZINC000595273117 565460585 /nfs/dbraw/zinc/46/05/85/565460585.db2.gz JGJNEPZBNRMOCI-SECBINFHSA-N 1 0 395.672 2.871 20 0 GFADRO CS(=O)(=O)N(CC[C@H]1CC[NH2+]C1)c1ccc(Br)cc1Cl ZINC000644167306 565461086 /nfs/dbraw/zinc/46/10/86/565461086.db2.gz KDWZMJPKVKIBLE-SNVBAGLBSA-N 1 0 381.723 2.868 20 0 GFADRO O=C([C@@H]1C[NH2+]CCC1(F)F)N1CCc2c(Br)ccc(F)c2C1 ZINC000644155529 565461509 /nfs/dbraw/zinc/46/15/09/565461509.db2.gz SIMCWLQLYQHYLW-NSHDSACASA-N 1 0 377.204 2.718 20 0 GFADRO CN(CCC[NH+](C)C)C(=O)C(=O)Nc1ccc(OC(F)(F)F)cc1Cl ZINC000664608764 565469368 /nfs/dbraw/zinc/46/93/68/565469368.db2.gz MGEUUZKHEDIXSW-UHFFFAOYSA-N 1 0 381.782 2.587 20 0 GFADRO O=C(NC[C@H]1CCC[N@H+](CC2CC2)C1)C(=O)Nc1cccc(Br)c1 ZINC000664675290 565472805 /nfs/dbraw/zinc/47/28/05/565472805.db2.gz RFRYZQKXOUVVSE-CQSZACIVSA-N 1 0 394.313 2.626 20 0 GFADRO CCN(C(=O)NCc1cn2cc(Br)cc(C)c2n1)[C@H]1CC[N@H+](C)C1 ZINC000664661494 565472818 /nfs/dbraw/zinc/47/28/18/565472818.db2.gz WYNQLBVSRTXMBW-HNNXBMFYSA-N 1 0 394.317 2.641 20 0 GFADRO CC(=O)Nc1cccc(C[NH2+]C[C@@H](O)COc2ccc(Br)cc2)c1 ZINC000644521245 565479115 /nfs/dbraw/zinc/47/91/15/565479115.db2.gz ZFYNJOHQMDMTIG-QGZVFWFLSA-N 1 0 393.281 2.937 20 0 GFADRO CNC(=O)c1cccc(C[NH2+]C[C@@H](O)COc2ccc(Cl)c(Cl)c2)c1 ZINC000644519080 565479272 /nfs/dbraw/zinc/47/92/72/565479272.db2.gz PISAAUOKWAPSDI-CQSZACIVSA-N 1 0 383.275 2.883 20 0 GFADRO CCN(CC)C[C@@H](C)[NH2+]CCS(=O)(=O)c1cccc(Br)c1 ZINC000644563164 565481814 /nfs/dbraw/zinc/48/18/14/565481814.db2.gz OSHCFLRXLIMFHJ-CYBMUJFWSA-N 1 0 377.348 2.543 20 0 GFADRO CC[C@@H](CN1CCCC1)[NH2+]CCS(=O)(=O)c1cccc(Br)c1 ZINC000644569501 565483057 /nfs/dbraw/zinc/48/30/57/565483057.db2.gz TTXZXZFGIBJQDK-HNNXBMFYSA-N 1 0 389.359 2.687 20 0 GFADRO C[C@H](C[C@H]1CCOC1)[NH2+]CCS(=O)(=O)c1cccc(Br)c1 ZINC000644593527 565484098 /nfs/dbraw/zinc/48/40/98/565484098.db2.gz DHGHQPNDGPGKLD-CHWSQXEVSA-N 1 0 376.316 2.628 20 0 GFADRO Cc1cc(C[NH2+]C[C@@H](O)COc2ccc(Cl)cc2Br)ncn1 ZINC000644609098 565484250 /nfs/dbraw/zinc/48/42/50/565484250.db2.gz RRIMJAAHPNRBAC-CYBMUJFWSA-N 1 0 386.677 2.730 20 0 GFADRO C[C@@H]1C[C@@H]([NH2+]CCS(=O)(=O)c2cccc(Br)c2)C[C@H](C)O1 ZINC000644612225 565485076 /nfs/dbraw/zinc/48/50/76/565485076.db2.gz RWZQHDOWTSQQQD-DABQJJPHSA-N 1 0 376.316 2.768 20 0 GFADRO O[C@H](C[NH2+]CCc1cn2c(n1)SCC2)COc1ccc(Cl)c(Cl)c1 ZINC000644623621 565485475 /nfs/dbraw/zinc/48/54/75/565485475.db2.gz VEXMAVXMRZPYGS-GFCCVEGCSA-N 1 0 388.320 2.868 20 0 GFADRO CC(=O)Nc1ccc(C[NH2+]C[C@H](O)COc2ccc(Cl)c(Cl)c2)cn1 ZINC000644634451 565486667 /nfs/dbraw/zinc/48/66/67/565486667.db2.gz DCDLVQGDESURIC-ZDUSSCGKSA-N 1 0 384.263 2.876 20 0 GFADRO CCCN(CC)C[C@@H](C)[NH2+]CCS(=O)(=O)c1cccc(Br)c1 ZINC000644651668 565487892 /nfs/dbraw/zinc/48/78/92/565487892.db2.gz KITXUCXCKUQOLO-CQSZACIVSA-N 1 0 391.375 2.933 20 0 GFADRO O=[S@@](CCN1CCC([N@@H+]2CC[C@@H](O)C2)CC1)c1cc(Cl)ccc1Cl ZINC000595864536 565495168 /nfs/dbraw/zinc/49/51/68/565495168.db2.gz BRMPQZBFJDDCLU-MYYSRTQBSA-N 1 0 391.364 2.632 20 0 GFADRO Cc1nc(NC(=O)C[C@@H](C[NH3+])CC(C)C)ccc1I ZINC000595932797 565499974 /nfs/dbraw/zinc/49/99/74/565499974.db2.gz RCEDWKURGQLAQG-NSHDSACASA-N 1 0 375.254 2.944 20 0 GFADRO COc1ccc(CN(C)Cc2ccc(S(=O)(=O)N(C)C)s2)cc1OC ZINC000644919282 565501290 /nfs/dbraw/zinc/50/12/90/565501290.db2.gz FMGMGQALTKYDOC-UHFFFAOYSA-N 1 0 384.523 2.648 20 0 GFADRO C[NH2+]C[C@H](C)NC(=O)[C@H](CCSC)NC(=O)c1ccc(Cl)cc1Cl ZINC000595981564 565503570 /nfs/dbraw/zinc/50/35/70/565503570.db2.gz FMTRBLCHKLAJTD-HZMBPMFUSA-N 1 0 392.352 2.569 20 0 GFADRO O=C(Nc1ccc(F)cc1Br)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000665598865 565504929 /nfs/dbraw/zinc/50/49/29/565504929.db2.gz QEQUPRVIKBOUFG-ZDUSSCGKSA-N 1 0 386.265 2.963 20 0 GFADRO O[C@H](C[NH2+]Cc1c[nH]nc1-c1ccc(Br)s1)COCC1CC1 ZINC000623387289 565506945 /nfs/dbraw/zinc/50/69/45/565506945.db2.gz URFTZVGZLZSXEA-GFCCVEGCSA-N 1 0 386.315 2.778 20 0 GFADRO COC(=O)[C@H](NC1CC[NH+]([C@H]2CCOC2)CC1)c1ccccc1Br ZINC000596048310 565509692 /nfs/dbraw/zinc/50/96/92/565509692.db2.gz UFSHTCOGEABSAW-WMLDXEAASA-N 1 0 397.313 2.506 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)N[C@@H]1CCCC(F)(F)[C@H]1O)c1ccc(Cl)cc1 ZINC000665723965 565509891 /nfs/dbraw/zinc/50/98/91/565509891.db2.gz RQWBFUJKHQRPDB-KFWWJZLASA-N 1 0 375.847 2.791 20 0 GFADRO CC(C)[C@@H](O)C[NH2+]Cc1cc(Cl)cc(Cl)c1OCCN1CCOCC1 ZINC000623421406 565510088 /nfs/dbraw/zinc/51/00/88/565510088.db2.gz KTTHQLFQZGIRSB-KRWDZBQOSA-N 1 0 391.339 2.811 20 0 GFADRO CCOC(=O)[C@]1(C)CCC[C@@H]1[NH2+][C@H](C(N)=O)c1ccc(Br)cc1 ZINC000596050152 565510761 /nfs/dbraw/zinc/51/07/61/565510761.db2.gz ISMVFACHLHIUBB-GRDNDAEWSA-N 1 0 383.286 2.687 20 0 GFADRO CCOC(=O)[C@]1(C)CCC[C@H]1[NH2+][C@@H](C(N)=O)c1ccc(Br)cc1 ZINC000596050150 565511025 /nfs/dbraw/zinc/51/10/25/565511025.db2.gz ISMVFACHLHIUBB-CKEIUWERSA-N 1 0 383.286 2.687 20 0 GFADRO Cn1nc2cc(Br)ccc2c1C(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000645111591 565512981 /nfs/dbraw/zinc/51/29/81/565512981.db2.gz AZAYYXRLHFVSBQ-IUODEOHRSA-N 1 0 391.313 2.940 20 0 GFADRO Ic1cnc(N2CCC([NH2+]Cc3ccccc3)CC2)nc1 ZINC000596252040 565516250 /nfs/dbraw/zinc/51/62/50/565516250.db2.gz DXMQUAPZPQTRAL-UHFFFAOYSA-N 1 0 394.260 2.840 20 0 GFADRO C[NH+](C)[C@@]1(CNC(=O)NCC[C@H]2CSc3ccccc3O2)CCSC1 ZINC000645260646 565518606 /nfs/dbraw/zinc/51/86/06/565518606.db2.gz LWJUMPGSOPEJIJ-KBXCAEBGSA-N 1 0 381.567 2.666 20 0 GFADRO O=C(Nc1cc(Br)ccc1F)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000666047673 565520559 /nfs/dbraw/zinc/52/05/59/565520559.db2.gz XZUZWYIQUMVGKA-ZDUSSCGKSA-N 1 0 386.265 2.651 20 0 GFADRO O=C(Nc1cc(Br)ccc1F)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000666046806 565521073 /nfs/dbraw/zinc/52/10/73/565521073.db2.gz GDDKJLICWSOYEM-CYBMUJFWSA-N 1 0 386.265 2.963 20 0 GFADRO CC(C)Oc1ncccc1C[NH2+][C@@H](C)Cn1cc(Br)ccc1=O ZINC000666082829 565521857 /nfs/dbraw/zinc/52/18/57/565521857.db2.gz FJKIPLSOEQCGJQ-ZDUSSCGKSA-N 1 0 380.286 2.971 20 0 GFADRO COc1cccc(C[NH2+][C@@]2(CO)CCc3cc(Br)ccc3C2)n1 ZINC000623644831 565523416 /nfs/dbraw/zinc/52/34/16/565523416.db2.gz BKJAHFHCOWFHIM-SFHVURJKSA-N 1 0 377.282 2.862 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+][C@H]1CO[C@@H](C2CC2)C1 ZINC000623754857 565528608 /nfs/dbraw/zinc/52/86/08/565528608.db2.gz UVFIPFLPCUQWAV-UXEPBGEESA-N 1 0 397.313 2.620 20 0 GFADRO C[C@H](C[C@H]1COCC[NH2+]1)NCc1cc(Cl)ccc1I ZINC000596652355 565530597 /nfs/dbraw/zinc/53/05/97/565530597.db2.gz SMVJUOUYTHJTHP-MFKMUULPSA-N 1 0 394.684 2.801 20 0 GFADRO O=C1[C@@H]([NH2+]Cc2cc(Br)c3c(c2)OCCCO3)CCN1C1CCC1 ZINC000623840375 565532438 /nfs/dbraw/zinc/53/24/38/565532438.db2.gz XZJSHBFACPSWRQ-HNNXBMFYSA-N 1 0 395.297 2.853 20 0 GFADRO CC(C)[C@H](NCC(F)(F)F)C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000666343899 565532527 /nfs/dbraw/zinc/53/25/27/565532527.db2.gz SBNKSXOFGZHTQR-AWEZNQCLSA-N 1 0 381.508 2.641 20 0 GFADRO CC(C)NS(=O)(=O)CC[NH2+][C@@H](C)Cc1ncc(C(F)(F)F)cc1Cl ZINC000623911089 565534789 /nfs/dbraw/zinc/53/47/89/565534789.db2.gz NBJHKZIMZBQPCY-JTQLQIEISA-N 1 0 387.855 2.602 20 0 GFADRO CN(C)S(=O)(=O)n1ccnc1C[NH2+][C@@H]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000666419025 565537177 /nfs/dbraw/zinc/53/71/77/565537177.db2.gz XYMURXYXPDCSDN-GDBMZVCRSA-N 1 0 382.917 2.617 20 0 GFADRO C[N@@H+]1CC[C@@H](Nc2cnc(N3CCOCC3)c(Br)c2)CC1(C)C ZINC000623978620 565537130 /nfs/dbraw/zinc/53/71/30/565537130.db2.gz ZNXZFMOZPQCXEI-CYBMUJFWSA-N 1 0 383.334 2.965 20 0 GFADRO O=C(NCC1CC[NH+](C2CCOCC2)CC1)Nc1cncc(Br)c1 ZINC000666448253 565537703 /nfs/dbraw/zinc/53/77/03/565537703.db2.gz QUMLOILUWBKUBQ-UHFFFAOYSA-N 1 0 397.317 2.857 20 0 GFADRO CC[NH+](CC)CC1CCN(S(=O)(=O)c2ncccc2C(F)(F)F)CC1 ZINC000645562166 565539178 /nfs/dbraw/zinc/53/91/78/565539178.db2.gz MJEHURJVEHJCCL-UHFFFAOYSA-N 1 0 379.448 2.843 20 0 GFADRO CC(C)[C@@H](Cc1ccc(Br)cc1)[NH2+]CCCN1CCC[C@H]1C(N)=O ZINC000624086844 565542547 /nfs/dbraw/zinc/54/25/47/565542547.db2.gz ZGDSGJANQYXYKF-MSOLQXFVSA-N 1 0 396.373 2.946 20 0 GFADRO COc1ncc(Br)cc1C[NH2+][C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000624132953 565543919 /nfs/dbraw/zinc/54/39/19/565543919.db2.gz DLZRNEMFHZIWIK-NSHDSACASA-N 1 0 389.257 2.679 20 0 GFADRO COCCOc1ccc(Br)cc1NC(=O)NCC[C@H](C)[NH+](C)C ZINC000666600817 565544766 /nfs/dbraw/zinc/54/47/66/565544766.db2.gz LCCDDXCGEFBISP-LBPRGKRZSA-N 1 0 388.306 2.936 20 0 GFADRO C[C@@H]([NH2+][C@@H]1CCCC[C@H]1NS(C)(=O)=O)c1nc2ccc(Cl)cc2n1C ZINC000624137951 565545105 /nfs/dbraw/zinc/54/51/05/565545105.db2.gz YYDLZDWPORXWJA-MRVWCRGKSA-N 1 0 384.933 2.738 20 0 GFADRO C[NH+](C)CCCC1CCN(S(=O)(=O)c2ncccc2C(F)(F)F)CC1 ZINC000645635188 565546284 /nfs/dbraw/zinc/54/62/84/565546284.db2.gz LLXCPBBYPHJSLE-UHFFFAOYSA-N 1 0 379.448 2.843 20 0 GFADRO O=S(=O)(N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)c1cscn1 ZINC000645647771 565547920 /nfs/dbraw/zinc/54/79/20/565547920.db2.gz GSHCWLBRJOZEOF-IXDOHACOSA-N 1 0 377.535 2.722 20 0 GFADRO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1c1nccc(-c2ccc(Br)cc2)n1 ZINC000624285900 565549897 /nfs/dbraw/zinc/54/98/97/565549897.db2.gz BSEHQZPMEIHILX-KBPBESRZSA-N 1 0 391.313 2.797 20 0 GFADRO CC[NH+]1CCN([C@H](C)CNS(=O)(=O)c2cc3cccc(C)c3s2)CC1 ZINC000645667502 565550124 /nfs/dbraw/zinc/55/01/24/565550124.db2.gz IBFHCVYLEHJZHR-OAHLLOKOSA-N 1 0 381.567 2.514 20 0 GFADRO C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@H]1CCN(C2CCC2)C1=O ZINC000624342502 565552131 /nfs/dbraw/zinc/55/21/31/565552131.db2.gz FSKBQOCIUCRYIP-LRDDRELGSA-N 1 0 394.313 2.909 20 0 GFADRO CC[C@H]1CN(S(=O)(=O)c2cc(F)c(Br)cc2C)CC[C@@H]1[NH3+] ZINC000624362255 565553116 /nfs/dbraw/zinc/55/31/16/565553116.db2.gz MALHGGWSZXEABP-GWCFXTLKSA-N 1 0 379.295 2.645 20 0 GFADRO COc1ncc(Br)cc1CNC(=O)N[C@H](C)C[NH+]1CCC(C)CC1 ZINC000624376871 565553581 /nfs/dbraw/zinc/55/35/81/565553581.db2.gz AACUIJGZIKLREA-CYBMUJFWSA-N 1 0 399.333 2.772 20 0 GFADRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2ccccc2C(F)(F)F)CC[C@H]1C(F)(F)F ZINC000624389590 565554703 /nfs/dbraw/zinc/55/47/03/565554703.db2.gz DWJJPGIFSHRDLW-NXEZZACHSA-N 1 0 390.349 2.853 20 0 GFADRO CC[C@@H]1[NH2+]CC[C@H]1NS(=O)(=O)Cc1cc(Cl)ccc1Br ZINC000624394588 565556016 /nfs/dbraw/zinc/55/60/16/565556016.db2.gz LDEBCCXAGNSOAA-QWHCGFSZSA-N 1 0 381.723 2.662 20 0 GFADRO O=C(NC[C@@H]1CCCC[NH2+]1)Nc1cc(Br)ccc1N1CCOCC1 ZINC000666869552 565561233 /nfs/dbraw/zinc/56/12/33/565561233.db2.gz YCMYVTBXUAPJEO-AWEZNQCLSA-N 1 0 397.317 2.549 20 0 GFADRO CS[C@H]1CN(C(=O)c2cc(N(C)C)cc(C(F)(F)F)c2)C[C@H]1[NH+](C)C ZINC000597447919 565561475 /nfs/dbraw/zinc/56/14/75/565561475.db2.gz XYMCTOPLWIJXSD-CABCVRRESA-N 1 0 375.460 2.889 20 0 GFADRO COc1cccc(OC(F)(F)F)c1C(=O)N1C[C@@H](SC)[C@@H]([NH+](C)C)C1 ZINC000597446265 565561715 /nfs/dbraw/zinc/56/17/15/565561715.db2.gz LYVDVEAWBONPIE-GXFFZTMASA-N 1 0 378.416 2.711 20 0 GFADRO O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)N1CCc2ccc(Br)cc21 ZINC000666973072 565564314 /nfs/dbraw/zinc/56/43/14/565564314.db2.gz OLNYSZBVVBDSJE-MRXNPFEDSA-N 1 0 394.313 2.775 20 0 GFADRO COc1ncc(Br)cc1CNC(=O)N1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC000624631556 565566968 /nfs/dbraw/zinc/56/69/68/565566968.db2.gz JOBYATGUKUHJFQ-DOMZBBRYSA-N 1 0 397.317 2.621 20 0 GFADRO C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1cccc(I)c1)C2 ZINC000597714741 565571797 /nfs/dbraw/zinc/57/17/97/565571797.db2.gz ITSHXZFWZKSMOK-MRXNPFEDSA-N 1 0 384.261 2.849 20 0 GFADRO C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1cccc(I)c1)C2 ZINC000597714740 565571932 /nfs/dbraw/zinc/57/19/32/565571932.db2.gz ITSHXZFWZKSMOK-INIZCTEOSA-N 1 0 384.261 2.849 20 0 GFADRO CN1CCOC[C@@H]1CNC(=O)N(Cc1cccc(Br)c1)CC1CC1 ZINC000624727950 565573367 /nfs/dbraw/zinc/57/33/67/565573367.db2.gz CCGVRADVGITLDC-KRWDZBQOSA-N 1 0 396.329 2.701 20 0 GFADRO CN1CCOC[C@@H]1CNC(=O)N1CCC(c2cccc(Br)c2)CC1 ZINC000624731361 565573709 /nfs/dbraw/zinc/57/37/09/565573709.db2.gz JFFJHRZQIZFFDE-KRWDZBQOSA-N 1 0 396.329 2.669 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)Cc1cccc(I)c1 ZINC000597857364 565578739 /nfs/dbraw/zinc/57/87/39/565578739.db2.gz FPBSVTONEZLEDB-CQSZACIVSA-N 1 0 386.277 2.823 20 0 GFADRO O=C(NC[C@@H]1CCCC[NH2+]1)C(=O)Nc1ccccc1SCC(F)(F)F ZINC000667264265 565580091 /nfs/dbraw/zinc/58/00/91/565580091.db2.gz HOFDJJPYBGKKMA-NSHDSACASA-N 1 0 375.416 2.538 20 0 GFADRO O=C(NC[C@@H]1CCCC[NH2+]1)C(=O)Nc1cccc(Cl)c1SCC(F)F ZINC000667262782 565580219 /nfs/dbraw/zinc/58/02/19/565580219.db2.gz NIGYPYRBEAWRCT-JTQLQIEISA-N 1 0 391.871 2.894 20 0 GFADRO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)Nc1ccccc1SCC(F)(F)F ZINC000667336234 565581177 /nfs/dbraw/zinc/58/11/77/565581177.db2.gz HJUXWMRXBDUNKP-NSHDSACASA-N 1 0 377.432 2.769 20 0 GFADRO CCO[C@H](CS(=O)(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)C1CC1 ZINC000624934370 565583546 /nfs/dbraw/zinc/58/35/46/565583546.db2.gz FIEBOHNAIALOGQ-MAUKXSAKSA-N 1 0 386.583 2.695 20 0 GFADRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)c2cc(Br)cc3c2OCCO3)C1 ZINC000667376973 565583683 /nfs/dbraw/zinc/58/36/83/565583683.db2.gz HGLXNCLEJFOJEF-LBPRGKRZSA-N 1 0 383.286 2.680 20 0 GFADRO CCN(C(=O)c1cc(F)ccc1I)[C@@H]1CC[N@H+](C)C1 ZINC000597946305 565584167 /nfs/dbraw/zinc/58/41/67/565584167.db2.gz OBQYJRQKDHZIRQ-LLVKDONJSA-N 1 0 376.213 2.597 20 0 GFADRO Cc1cc(Br)c(NC(=O)N2CCO[C@H]([C@H](C)[NH3+])C2)cc1Cl ZINC000667383458 565584645 /nfs/dbraw/zinc/58/46/45/565584645.db2.gz IQZLIDTWTQUJRI-ZANVPECISA-N 1 0 376.682 2.991 20 0 GFADRO CCn1c(CNC(=O)N[C@@H](C)C[C@H](C)[NH3+])nc2cc(Br)ccc21 ZINC000646192504 565590279 /nfs/dbraw/zinc/59/02/79/565590279.db2.gz GYBMXKXFFCFCII-QWRGUYRKSA-N 1 0 382.306 2.744 20 0 GFADRO [NH3+][C@H]1CCC[C@H](NC(=O)C(=O)Nc2cc(Br)c(F)cc2Cl)C1 ZINC000667525205 565592369 /nfs/dbraw/zinc/59/23/69/565592369.db2.gz BZTDTFLVRGHMCF-YUMQZZPRSA-N 1 0 392.656 2.566 20 0 GFADRO CC[C@H]1CN(C(=O)Nc2ccnn2-c2ccc(Br)cn2)CC[C@@H]1[NH3+] ZINC000667517599 565592399 /nfs/dbraw/zinc/59/23/99/565592399.db2.gz WNXQUYSWTSNJJN-AAEUAGOBSA-N 1 0 393.289 2.621 20 0 GFADRO O=C(Nc1ccc2nccnc2c1Br)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000667590706 565595605 /nfs/dbraw/zinc/59/56/05/565595605.db2.gz OCHGYGNYCCXXNO-MFKMUULPSA-N 1 0 376.258 2.608 20 0 GFADRO Fc1cncc(Br)c1CN1CCC(CC[NH+]2CCOCC2)CC1 ZINC000667565160 565595704 /nfs/dbraw/zinc/59/57/04/565595704.db2.gz LDXBDUMACGNMNH-UHFFFAOYSA-N 1 0 386.309 2.918 20 0 GFADRO Cc1[nH]c(=O)c(C(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc1Br ZINC000646377353 565601288 /nfs/dbraw/zinc/60/12/88/565601288.db2.gz AUGKVDHPPLEJKI-CHWSQXEVSA-N 1 0 382.302 2.710 20 0 GFADRO O=C(CNC(=O)c1cc(Cl)sc1Cl)NCC[NH+]1CCCCCC1 ZINC000646427893 565602293 /nfs/dbraw/zinc/60/22/93/565602293.db2.gz RYAQPVJHEVDYCP-UHFFFAOYSA-N 1 0 378.325 2.777 20 0 GFADRO O=C([C@H]1CCc2nc[nH]c2C1)N1CCO[C@H](c2cccc(Br)c2)C1 ZINC000667721647 565602767 /nfs/dbraw/zinc/60/27/67/565602767.db2.gz OVUSMQHIZBEGCH-GUYCJALGSA-N 1 0 390.281 2.877 20 0 GFADRO CN(Cc1ccccc1Br)C(=O)CC[NH2+][C@H]1CO[C@@H](C2CC2)C1 ZINC000667861754 565607877 /nfs/dbraw/zinc/60/78/77/565607877.db2.gz AZCRGUZHFMSQDY-NVXWUHKLSA-N 1 0 381.314 2.955 20 0 GFADRO [NH3+]CCCCC(=O)N(CCn1ccnc1)Cc1ccccc1Br ZINC000646557972 565608392 /nfs/dbraw/zinc/60/83/92/565608392.db2.gz ZLHOWSBECJZTJB-UHFFFAOYSA-N 1 0 379.302 2.803 20 0 GFADRO CCC[N@@H+]1CC[C@@H](NC(=O)c2cc(F)c(F)cc2I)C1 ZINC000598341398 565609380 /nfs/dbraw/zinc/60/93/80/565609380.db2.gz ASZHIQPCZQNPQM-SECBINFHSA-N 1 0 394.203 2.784 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C(=O)NCC1CC[NH2+]CC1 ZINC000646614462 565611348 /nfs/dbraw/zinc/61/13/48/565611348.db2.gz HMHJUDFHOGZDNJ-UHFFFAOYSA-N 1 0 377.286 2.673 20 0 GFADRO O=C(NC[C@@H]1CCCC[NH2+]1)[C@H](c1ccc(Br)cc1)N1CCCC1 ZINC000646652608 565612125 /nfs/dbraw/zinc/61/21/25/565612125.db2.gz UBTPKNHNWZUSSB-IRXDYDNUSA-N 1 0 380.330 2.844 20 0 GFADRO O=C(NC[C@H]1CCCC[NH2+]1)[C@@H](c1ccc(Cl)cc1Cl)N1CCOCC1 ZINC000646649371 565612547 /nfs/dbraw/zinc/61/25/47/565612547.db2.gz BUYUFFSYRZCTRF-RHSMWYFYSA-N 1 0 386.323 2.625 20 0 GFADRO CCO[C@H](CS(=O)(=O)NC[C@H](C[NH+](C)C)c1ccc(Cl)cc1)C1CC1 ZINC000625265313 565614288 /nfs/dbraw/zinc/61/42/88/565614288.db2.gz KIZZBOWVXVBMBY-SJLPKXTDSA-N 1 0 388.961 2.720 20 0 GFADRO CCCN(C(=O)CNC(=O)c1sc2ccccc2c1Cl)[C@H]1CC[NH2+]C1 ZINC000646698901 565614342 /nfs/dbraw/zinc/61/43/42/565614342.db2.gz IEKOWXDHRNDSER-LBPRGKRZSA-N 1 0 379.913 2.885 20 0 GFADRO O=C(Nc1cccc(Br)c1F)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000667923766 565615006 /nfs/dbraw/zinc/61/50/06/565615006.db2.gz VHLQDAPJVFBAGW-LBPRGKRZSA-N 1 0 386.265 2.774 20 0 GFADRO Cc1cccc(CC(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)c1Br ZINC000625281993 565616539 /nfs/dbraw/zinc/61/65/39/565616539.db2.gz VSVGPNJOPIEBDT-INIZCTEOSA-N 1 0 383.330 2.869 20 0 GFADRO CCCN(C(=O)C(=O)Nc1ccc(C)c(Br)c1)[C@@H]1CC[N@H+](C)C1 ZINC000646768258 565617616 /nfs/dbraw/zinc/61/76/16/565617616.db2.gz SZAVEIMQWUIXAC-CQSZACIVSA-N 1 0 382.302 2.639 20 0 GFADRO O=C(NCCN1C[C@H]2CC[C@@H](C1)O2)Nc1ccc(F)c(Br)c1F ZINC000668039268 565621879 /nfs/dbraw/zinc/62/18/79/565621879.db2.gz NKVYSETUZPTOKG-AOOOYVTPSA-N 1 0 390.228 2.712 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CN(C(=O)CCCSc2ccc(Br)cc2)CCO1 ZINC000646845230 565623061 /nfs/dbraw/zinc/62/30/61/565623061.db2.gz HGTDATBPZXRKHC-IUODEOHRSA-N 1 0 387.343 2.896 20 0 GFADRO O=S(=O)(NC[C@@H]1CC[N@@H+]1C1CCCCC1)c1ncccc1C(F)(F)F ZINC000625368471 565623304 /nfs/dbraw/zinc/62/33/04/565623304.db2.gz WGXAQPHBRBBDEJ-ZDUSSCGKSA-N 1 0 377.432 2.786 20 0 GFADRO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)C2(c3ccc(Br)cc3)CCOCC2)C1 ZINC000646915977 565625752 /nfs/dbraw/zinc/62/57/52/565625752.db2.gz YUQVWCVEMUUQKD-YOEHRIQHSA-N 1 0 393.325 2.660 20 0 GFADRO C[N@@H+]1C[C@@H]2CCN(C(=O)CSc3nnc(-c4ccc(Cl)cc4)o3)[C@@H]2C1 ZINC000646919462 565625788 /nfs/dbraw/zinc/62/57/88/565625788.db2.gz IPGPPSDXGAXNSJ-GXTWGEPZSA-N 1 0 378.885 2.645 20 0 GFADRO O=C(c1cc2cc(Br)sc2[nH]1)N1CC[NH+](C2CCOCC2)CC1 ZINC000646894326 565625868 /nfs/dbraw/zinc/62/58/68/565625868.db2.gz VAIJREOIPSOZQC-UHFFFAOYSA-N 1 0 398.326 2.929 20 0 GFADRO O=C(NC[C@H]1CCC[N@H+](CC2CC2)C1)c1ccc(I)cn1 ZINC000598559352 565626689 /nfs/dbraw/zinc/62/66/89/565626689.db2.gz GBWRVWHNKGZJBM-CYBMUJFWSA-N 1 0 399.276 2.538 20 0 GFADRO C[N@@H+]1CCCC[C@H](CNS(=O)(=O)c2cc(Br)ccc2F)C1 ZINC000625423798 565629979 /nfs/dbraw/zinc/62/99/79/565629979.db2.gz ZYDHGQZDBCCEIH-LLVKDONJSA-N 1 0 379.295 2.598 20 0 GFADRO CC[C@@H]1CN(C(=O)[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)CC[C@@H]1[NH3+] ZINC000647008994 565632446 /nfs/dbraw/zinc/63/24/46/565632446.db2.gz XFIDBWOQDCJVNW-FFSVYQOJSA-N 1 0 384.307 2.932 20 0 GFADRO COc1ccc(C[C@H](CO)C[NH2+][C@@H]2CO[C@@H](C3CC3)C2)cc1Br ZINC000668224278 565633448 /nfs/dbraw/zinc/63/34/48/565633448.db2.gz IYRPZHMLZMDKRM-DHSIGJKJSA-N 1 0 384.314 2.766 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]1C1CCN(C(=O)Cc2csc(-c3cccs3)n2)CC1 ZINC000647076607 565635613 /nfs/dbraw/zinc/63/56/13/565635613.db2.gz ZRYDRRQBLRNFSR-PBHICJAKSA-N 1 0 377.535 2.769 20 0 GFADRO C[C@@H]([NH3+])[C@H](C)NC(=O)c1nn(-c2cccc(Br)c2)c2c1CCC2 ZINC000647068520 565635698 /nfs/dbraw/zinc/63/56/98/565635698.db2.gz COKZOZVAJPQHBG-MNOVXSKESA-N 1 0 377.286 2.589 20 0 GFADRO C[C@H](CC(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3)n1cc(Br)cn1 ZINC000647093924 565636397 /nfs/dbraw/zinc/63/63/97/565636397.db2.gz RIHWJKJFRQMVOB-NSVFZLEXSA-N 1 0 395.345 2.867 20 0 GFADRO COC[C@@H]([NH2+][C@H]1CCc2cc(Br)ccc2NC1=O)C1CCOCC1 ZINC000625531082 565636389 /nfs/dbraw/zinc/63/63/89/565636389.db2.gz ONUJDVJDFRNJSQ-DLBZAZTESA-N 1 0 397.313 2.734 20 0 GFADRO C[C@H]1CC2(CN1C(=O)c1c3ccc(Br)cc3nn1C)CC[NH2+]CC2 ZINC000647096383 565636919 /nfs/dbraw/zinc/63/69/19/565636919.db2.gz NJMIUXKPCUTSSP-LBPRGKRZSA-N 1 0 391.313 2.940 20 0 GFADRO C[NH2+][C@H](C)Cc1noc([C@@H](c2cc(Cl)cc(Cl)c2)N2CCOCC2)n1 ZINC000647143290 565641918 /nfs/dbraw/zinc/64/19/18/565641918.db2.gz PNJNXQVDKKUIQX-BDJLRTHQSA-N 1 0 385.295 2.948 20 0 GFADRO C[C@@H](CN1CCOCC1)[NH2+]Cc1cc(OC(F)F)ccc1Br ZINC000647171570 565642818 /nfs/dbraw/zinc/64/28/18/565642818.db2.gz OCTHHVMNAKVORY-NSHDSACASA-N 1 0 379.245 2.861 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+]CCc2ccc(C(F)(F)F)cc2)c(F)c1 ZINC000647167752 565643016 /nfs/dbraw/zinc/64/30/16/565643016.db2.gz RLRMYGJLJYJSLN-UHFFFAOYSA-N 1 0 376.375 2.824 20 0 GFADRO COCC[N@@H+]1CCC[C@H](NC(=O)Cc2c(Cl)cccc2Br)C1 ZINC000668372378 565643970 /nfs/dbraw/zinc/64/39/70/565643970.db2.gz HGRVYMXDBMYLQM-LBPRGKRZSA-N 1 0 389.721 2.872 20 0 GFADRO COc1ncncc1C[NH2+]C[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000647175244 565644573 /nfs/dbraw/zinc/64/45/73/565644573.db2.gz FQKPEETVIDNYFQ-CYBMUJFWSA-N 1 0 377.286 2.864 20 0 GFADRO CN(C)[C@H](C[NH2+]Cc1ccc(S(N)(=O)=O)cc1F)c1ccc(Cl)cc1 ZINC000647188722 565644983 /nfs/dbraw/zinc/64/49/83/565644983.db2.gz GKXZTNJEOJEHOG-QGZVFWFLSA-N 1 0 385.892 2.519 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)C(=O)NCCSc1ccc(Cl)cc1 ZINC000668391431 565645641 /nfs/dbraw/zinc/64/56/41/565645641.db2.gz OJGSYGMKILBGHC-AWEZNQCLSA-N 1 0 383.945 2.537 20 0 GFADRO [NH3+]CC1(NS(=O)(=O)Cc2ccc(Br)cc2Cl)CCCC1 ZINC000647220294 565647088 /nfs/dbraw/zinc/64/70/88/565647088.db2.gz ZQOYXMATWDFLHP-UHFFFAOYSA-N 1 0 381.723 2.793 20 0 GFADRO CC(C)C[C@@H](C[NH3+])NS(=O)(=O)Cc1ccc(Br)cc1Cl ZINC000647221939 565647102 /nfs/dbraw/zinc/64/71/02/565647102.db2.gz DAIGXJMYDVVGRY-LBPRGKRZSA-N 1 0 383.739 2.895 20 0 GFADRO O=C(c1cc(Br)cc2[nH]c(=O)[nH]c21)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000668441193 565647509 /nfs/dbraw/zinc/64/75/09/565647509.db2.gz FRWVKLRYKCKLLW-LBPRGKRZSA-N 1 0 393.285 2.731 20 0 GFADRO Cc1ccc(S(=O)(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cc1Br ZINC000647238403 565648724 /nfs/dbraw/zinc/64/87/24/565648724.db2.gz LYTRRITWASVMHY-CZUORRHYSA-N 1 0 387.343 2.910 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+]CC2CCC(F)CC2)cc1Br ZINC000647252575 565649910 /nfs/dbraw/zinc/64/99/10/565649910.db2.gz KKOYYQGGKBQZKE-UHFFFAOYSA-N 1 0 379.295 2.714 20 0 GFADRO C[NH+](C)[C@H]1CCC[C@@H]1NS(=O)(=O)c1cc(Cl)ccc1OC(F)(F)F ZINC000647277719 565654233 /nfs/dbraw/zinc/65/42/33/565654233.db2.gz JSHGRLUBUHXWHB-QWRGUYRKSA-N 1 0 386.823 3.000 20 0 GFADRO COC(=O)CCNC(=O)CC[NH2+][C@@H](C)c1ccc(Br)c(Cl)c1 ZINC000599079846 565655329 /nfs/dbraw/zinc/65/53/29/565655329.db2.gz DONJUYLIEJRCNI-JTQLQIEISA-N 1 0 391.693 2.823 20 0 GFADRO O=S(=O)(Cc1cc(Cl)ccc1Br)N[C@@H]1CC12CC[NH2+]CC2 ZINC000647304032 565655373 /nfs/dbraw/zinc/65/53/73/565655373.db2.gz UCNHTLQNMLDWSB-CYBMUJFWSA-N 1 0 393.734 2.664 20 0 GFADRO CS(=O)(=O)[C@H]1CCC[C@@H]([NH2+][C@@H]2Cc3ccccc3O[C@H]2C(F)(F)F)C1 ZINC000625744663 565656648 /nfs/dbraw/zinc/65/66/48/565656648.db2.gz PRRSAJIZLIWEJR-HLPPOEQASA-N 1 0 377.428 2.866 20 0 GFADRO Nc1c(Br)cc(Br)cc1CN1CC[C@@]2(O)C[C@H]2C1 ZINC000668600634 565656831 /nfs/dbraw/zinc/65/68/31/565656831.db2.gz WXQTXEJRXRJLAJ-TVQRCGJNSA-N 1 0 376.092 2.751 20 0 GFADRO COc1ccc(C[NH2+][C@]2(CO)CCc3cc(Br)ccc3C2)nc1 ZINC000625796771 565660417 /nfs/dbraw/zinc/66/04/17/565660417.db2.gz MGMOZAKOGZRBEJ-GOSISDBHSA-N 1 0 377.282 2.862 20 0 GFADRO CC(C)CNC(=O)CCC[NH2+][C@]1(CO)CCc2cc(Br)ccc2C1 ZINC000625796994 565660886 /nfs/dbraw/zinc/66/08/86/565660886.db2.gz PKGAUSBIIJWURH-LJQANCHMSA-N 1 0 397.357 2.811 20 0 GFADRO OC[C@H](C[NH2+]C[C@H](O)COc1cccc(Br)c1)Cc1ccccc1 ZINC000647518787 565663020 /nfs/dbraw/zinc/66/30/20/565663020.db2.gz CZSLWYGCZLRHPX-WMZOPIPTSA-N 1 0 394.309 2.630 20 0 GFADRO COc1c(Br)cc(Cl)cc1NC(=O)NCCOCCC[NH3+] ZINC000625858853 565663673 /nfs/dbraw/zinc/66/36/73/565663673.db2.gz SXWYPIPIMFXGAI-UHFFFAOYSA-N 1 0 380.670 2.598 20 0 GFADRO COc1cc(OC)c(NC(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)cc1Br ZINC000625880607 565664545 /nfs/dbraw/zinc/66/45/45/565664545.db2.gz GAVAJADZLJKAJO-CALCHBBNSA-N 1 0 398.301 2.930 20 0 GFADRO [NH3+]C1(CNC(=O)N[C@H](c2ccc(F)c(Cl)c2)C(F)(F)F)CCOCC1 ZINC000625883082 565664638 /nfs/dbraw/zinc/66/46/38/565664638.db2.gz MZSUDIQZJOBYPZ-GFCCVEGCSA-N 1 0 383.773 2.890 20 0 GFADRO CN(C)C[C@H]([NH2+]CC(=O)NCc1cccnc1)c1ccc(Cl)c(Cl)c1 ZINC000625983436 565668573 /nfs/dbraw/zinc/66/85/73/565668573.db2.gz PPKQWOCZMFQZGZ-KRWDZBQOSA-N 1 0 381.307 2.897 20 0 GFADRO C[C@H](Sc1ccc(Br)cc1)C(=O)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000647707185 565672008 /nfs/dbraw/zinc/67/20/08/565672008.db2.gz XXZMOXAHNFIFKZ-AEGPPILISA-N 1 0 399.354 2.597 20 0 GFADRO C[N@H+](Cc1ccnc(-c2ccc(Br)cc2)n1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000626039256 565672093 /nfs/dbraw/zinc/67/20/93/565672093.db2.gz WOSYYNOIVMZSBI-JNSHFYNHSA-N 1 0 375.270 2.602 20 0 GFADRO O=C(Cc1csc(-c2ccc(Cl)s2)n1)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000647707245 565672378 /nfs/dbraw/zinc/67/23/78/565672378.db2.gz ZMDLUCNUWRBXPU-OLZOCXBDSA-N 1 0 397.953 2.735 20 0 GFADRO CCC1([NH+]2CCOCC2)CCN(Cc2cc(Br)cnc2OC)CC1 ZINC000626089652 565675625 /nfs/dbraw/zinc/67/56/25/565675625.db2.gz ZFRAPHPSPLSQQU-UHFFFAOYSA-N 1 0 398.345 2.930 20 0 GFADRO CCC(O)(CC)C[N@H+](C)CC(=O)N(C)Cc1cc(Br)cs1 ZINC000626110940 565676568 /nfs/dbraw/zinc/67/65/68/565676568.db2.gz XKCHHNCGJZVLNX-UHFFFAOYSA-N 1 0 377.348 2.952 20 0 GFADRO CN(C)c1cc[nH+]cc1C(=O)N1CC[C@H](Oc2cncc(Br)c2)C1 ZINC000647791129 565676621 /nfs/dbraw/zinc/67/66/21/565676621.db2.gz VIGXKZZYWKRLSP-ZDUSSCGKSA-N 1 0 391.269 2.599 20 0 GFADRO O=S(=O)(NC1CC[NH+](CC2CC2)CC1)c1csnc1-c1ccccc1 ZINC000647896714 565682608 /nfs/dbraw/zinc/68/26/08/565682608.db2.gz YMYSTEGAJMJQMV-UHFFFAOYSA-N 1 0 377.535 2.963 20 0 GFADRO O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)Nc1ccccc1SCC(F)(F)F ZINC000647917416 565683276 /nfs/dbraw/zinc/68/32/76/565683276.db2.gz OTAJEMXNPOQULW-LBPRGKRZSA-N 1 0 375.416 2.538 20 0 GFADRO CC[C@@H]1CN(C(=O)NCCC(=O)Nc2ccc(Br)cc2)CC[C@@H]1[NH3+] ZINC000669403685 565686801 /nfs/dbraw/zinc/68/68/01/565686801.db2.gz BLLRHBMSGGUHAC-DOMZBBRYSA-N 1 0 397.317 2.547 20 0 GFADRO C[NH+](C)[C@@]1(CNC(=O)c2nnc(-c3c(F)cccc3F)s2)CCSC1 ZINC000669393800 565687156 /nfs/dbraw/zinc/68/71/56/565687156.db2.gz JAPRGLLIHNBMAW-MRXNPFEDSA-N 1 0 384.477 2.650 20 0 GFADRO CC[NH2+]CCCNC(=O)N[C@@H](C)c1cc2c(cc1Br)OCCO2 ZINC000669399061 565687322 /nfs/dbraw/zinc/68/73/22/565687322.db2.gz IBPOCSUZEJWXQO-NSHDSACASA-N 1 0 386.290 2.580 20 0 GFADRO Cc1csc(Sc2ccc(NC(=O)NCC[N@@H+]3CC[C@H](O)C3)cc2)n1 ZINC000626316419 565687366 /nfs/dbraw/zinc/68/73/66/565687366.db2.gz COTYORDSBOYPOQ-AWEZNQCLSA-N 1 0 378.523 2.791 20 0 GFADRO O=C1NCCN(CCCC2CC[NH2+]CC2)[C@@H]1c1cccc(Br)c1 ZINC000647990006 565687551 /nfs/dbraw/zinc/68/75/51/565687551.db2.gz PVYXRIVTSSSZAZ-QGZVFWFLSA-N 1 0 380.330 2.702 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000669431770 565688884 /nfs/dbraw/zinc/68/88/84/565688884.db2.gz WVTKWVWLQAZZRP-CQSZACIVSA-N 1 0 397.317 2.527 20 0 GFADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3[C@@H]4Cc5c(cccc5Br)[C@@H]43)[C@@H]2C1 ZINC000626391980 565690328 /nfs/dbraw/zinc/69/03/28/565690328.db2.gz TYDTYRYCFDJHAX-DVTPXTSXSA-N 1 0 375.310 2.887 20 0 GFADRO CC[C@@H]1CN(C(=O)N[C@H]2CCN(c3ccccc3Br)C2)CC[C@H]1[NH3+] ZINC000669475999 565690663 /nfs/dbraw/zinc/69/06/63/565690663.db2.gz GPLQOGUKWWWYCE-IJEWVQPXSA-N 1 0 395.345 2.797 20 0 GFADRO CC[C@@H]1CN(C(=O)N[C@@H]2CCN(c3ccccc3Br)C2)CC[C@@H]1[NH3+] ZINC000669475997 565690676 /nfs/dbraw/zinc/69/06/76/565690676.db2.gz GPLQOGUKWWWYCE-FMKPAKJESA-N 1 0 395.345 2.797 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CN(C(=O)NCCOc2c(Cl)cc(Cl)cc2Cl)CCO1 ZINC000669522038 565691088 /nfs/dbraw/zinc/69/10/88/565691088.db2.gz GUOGKHBHIHNHNT-RNCFNFMXSA-N 1 0 396.702 2.783 20 0 GFADRO C[C@H]([NH3+])[C@H]1CN(C(=O)NCCOc2c(Cl)cc(Cl)cc2Cl)CCO1 ZINC000669522039 565691220 /nfs/dbraw/zinc/69/12/20/565691220.db2.gz GUOGKHBHIHNHNT-TVQRCGJNSA-N 1 0 396.702 2.783 20 0 GFADRO CC[C@@H]1CN(C(=O)NC[C@@H](C)Oc2ccccc2Br)CC[C@@H]1[NH3+] ZINC000669518132 565691260 /nfs/dbraw/zinc/69/12/60/565691260.db2.gz KJAGYTWMQJUYRC-NFAWXSAZSA-N 1 0 384.318 2.985 20 0 GFADRO CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000669551718 565692078 /nfs/dbraw/zinc/69/20/78/565692078.db2.gz GKDHSVVSJCXJPS-OWQGQXMQSA-N 1 0 396.329 2.920 20 0 GFADRO C[C@H](Cc1cc(Br)ccc1F)NC(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000669544212 565692761 /nfs/dbraw/zinc/69/27/61/565692761.db2.gz IRCCSFHNCPYJDX-XHBSWPGZSA-N 1 0 384.293 2.913 20 0 GFADRO O=C(N[C@@H]1CCCc2c3cc(Br)ccc3[nH]c21)N1CC[NH2+]CC1 ZINC000669587698 565694427 /nfs/dbraw/zinc/69/44/27/565694427.db2.gz NAQGAVIXFGEPHD-OAHLLOKOSA-N 1 0 377.286 2.923 20 0 GFADRO C[C@@H]1C[C@H](c2ccc(Br)cc2)C[N@@H+]1CC(=O)NC(=O)NC1CC1 ZINC000599653911 565695306 /nfs/dbraw/zinc/69/53/06/565695306.db2.gz XEOREQLTFVXSRW-YPMHNXCESA-N 1 0 380.286 2.615 20 0 GFADRO O=C(NCC[N@H+]1CC[C@H](O)C1)Nc1ccc(Br)c(Cl)c1Cl ZINC000626499841 565696254 /nfs/dbraw/zinc/69/62/54/565696254.db2.gz RGNIKKRTPNIANQ-QMMMGPOBSA-N 1 0 397.100 2.944 20 0 GFADRO COc1cc(Br)c(C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)cc1OC ZINC000648293024 565700760 /nfs/dbraw/zinc/70/07/60/565700760.db2.gz HIYORXHZIWZGNS-GFCCVEGCSA-N 1 0 383.286 2.680 20 0 GFADRO C[C@H](CC(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1)n1cc(Br)cn1 ZINC000648337774 565704650 /nfs/dbraw/zinc/70/46/50/565704650.db2.gz QTILSIWSAJSQCL-UKRRQHHQSA-N 1 0 383.334 2.787 20 0 GFADRO CSc1ccc(NC(=O)NCCOCC[NH+](C)C)cc1Br ZINC000626646754 565705092 /nfs/dbraw/zinc/70/50/92/565705092.db2.gz WWSMWCFXCCMJNR-UHFFFAOYSA-N 1 0 376.320 2.871 20 0 GFADRO Cc1cc(CNC(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)ccc1I ZINC000599916991 565705556 /nfs/dbraw/zinc/70/55/56/565705556.db2.gz QYEZUCYDSDTPIP-DGCLKSJQSA-N 1 0 387.265 2.539 20 0 GFADRO COc1cc(C(=O)N2CC[N@@H+](C3CCOCC3)C[C@H]2C)ccc1Br ZINC000626686633 565707821 /nfs/dbraw/zinc/70/78/21/565707821.db2.gz HWGKAQYSAGONJX-CYBMUJFWSA-N 1 0 397.313 2.783 20 0 GFADRO CN1CCN(C(=O)CC[N@@H+]2CCC[C@@H]2c2ccccc2Br)CC1 ZINC000669930929 565708274 /nfs/dbraw/zinc/70/82/74/565708274.db2.gz OWAYCPXRIJLENZ-QGZVFWFLSA-N 1 0 380.330 2.750 20 0 GFADRO O=C(Nc1cc(C(F)(F)F)ccc1Cl)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000626848014 565712814 /nfs/dbraw/zinc/71/28/14/565712814.db2.gz CFWLQKQVBHQJSM-LBPRGKRZSA-N 1 0 375.778 2.698 20 0 GFADRO Cc1cc(Cl)ccc1NC(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000626861833 565713929 /nfs/dbraw/zinc/71/39/29/565713929.db2.gz WVTNDNPOCUGRAW-CMPLNLGQSA-N 1 0 377.794 2.573 20 0 GFADRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)Nc1ccccc1SCC(F)(F)F ZINC000626867817 565714032 /nfs/dbraw/zinc/71/40/32/565714032.db2.gz IUPCLNBYKYFJEX-WDEREUQCSA-N 1 0 375.416 2.536 20 0 GFADRO Cc1nc(-c2ccc(CCNC(=O)NCC3([NH3+])CCOCC3)s2)cs1 ZINC000626927065 565715189 /nfs/dbraw/zinc/71/51/89/565715189.db2.gz RZYQKWGCUDMKHR-UHFFFAOYSA-N 1 0 380.539 2.530 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)NCCOc2cccc(Cl)c2)CC[C@@H]1C(F)(F)F ZINC000626941193 565716209 /nfs/dbraw/zinc/71/62/09/565716209.db2.gz YWKGATUJGXQTIT-RISCZKNCSA-N 1 0 379.810 2.888 20 0 GFADRO CC(C)(C)OC(=O)[C@@](C)(O)C[NH2+]Cc1ccc(Br)c(F)c1F ZINC000600151747 565716696 /nfs/dbraw/zinc/71/66/96/565716696.db2.gz PBGBNKCLUYUQQI-HNNXBMFYSA-N 1 0 380.229 2.910 20 0 GFADRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000626949114 565716740 /nfs/dbraw/zinc/71/67/40/565716740.db2.gz PSAJWGPINVCWOA-RRQGHBQHSA-N 1 0 395.345 2.715 20 0 GFADRO CC[C@H]1C[C@H]([NH2+]CCNS(=O)(=O)c2cccc(Cl)c2Cl)CCO1 ZINC000648581101 565717973 /nfs/dbraw/zinc/71/79/73/565717973.db2.gz ROGJUJOFHIXNJP-NEPJUHHUSA-N 1 0 381.325 2.819 20 0 GFADRO CN(CCOCC[NH3+])C(=O)NCc1ccc(Br)cc1C(F)(F)F ZINC000627006959 565718626 /nfs/dbraw/zinc/71/86/26/565718626.db2.gz PLULMFGWRCHAMP-UHFFFAOYSA-N 1 0 398.223 2.585 20 0 GFADRO CC(C)(CNC(=O)NCC1([NH3+])CCOCC1)c1ccccc1Br ZINC000627002736 565718949 /nfs/dbraw/zinc/71/89/49/565718949.db2.gz ZQQQKPHRNCLCOJ-UHFFFAOYSA-N 1 0 384.318 2.534 20 0 GFADRO CN(CCOCC[NH3+])C(=O)N[C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1 ZINC000627019305 565719740 /nfs/dbraw/zinc/71/97/40/565719740.db2.gz XUWXVRGLPMAMQU-CQSZACIVSA-N 1 0 389.327 2.579 20 0 GFADRO COCC[NH2+]CCNC(=O)N1C[C@H](c2ccc(Br)cc2)C[C@H]1C ZINC000627083895 565721707 /nfs/dbraw/zinc/72/17/07/565721707.db2.gz WYNZJFGUWFWWPK-UKRRQHHQSA-N 1 0 384.318 2.573 20 0 GFADRO [NH3+]C1(CNC(=O)N2CCC(c3cccc(Br)c3)CC2)CCOCC1 ZINC000627149565 565723320 /nfs/dbraw/zinc/72/33/20/565723320.db2.gz IZQQPWDHBQBHDI-UHFFFAOYSA-N 1 0 396.329 2.846 20 0 GFADRO Cn1cc(Br)c(CNCc2ccc(OCC[NH+]3CCCC3)cc2)n1 ZINC000648731499 565724369 /nfs/dbraw/zinc/72/43/69/565724369.db2.gz FYPRLXPCRKVHKL-UHFFFAOYSA-N 1 0 393.329 2.947 20 0 GFADRO C[NH2+]CCOCCNC(=O)N1CCC(C)(c2cccc(Br)c2)CC1 ZINC000627174651 565724638 /nfs/dbraw/zinc/72/46/38/565724638.db2.gz NGBFBFUXUSYHTF-UHFFFAOYSA-N 1 0 398.345 2.748 20 0 GFADRO Cn1nc2cc(Br)ccc2c1C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000648740766 565725549 /nfs/dbraw/zinc/72/55/49/565725549.db2.gz QVKVQTGQAWJHEJ-UHFFFAOYSA-N 1 0 391.313 2.940 20 0 GFADRO C[C@@H]1CC[C@H](NC(=O)N2CCOC[C@H]2c2ccc(Br)cc2)C[NH2+]1 ZINC000627209986 565727559 /nfs/dbraw/zinc/72/75/59/565727559.db2.gz JUFLTTMYZGETQM-KCXAZCMYSA-N 1 0 382.302 2.673 20 0 GFADRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCC[C@H](Nc2cccc(Br)c2)C1 ZINC000627243966 565728377 /nfs/dbraw/zinc/72/83/77/565728377.db2.gz AWGLYQDFNONKSZ-VBNZEHGJSA-N 1 0 381.318 2.785 20 0 GFADRO O=C(CCC(=O)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1)c1cc(Cl)sc1Cl ZINC000627259857 565728629 /nfs/dbraw/zinc/72/86/29/565728629.db2.gz ADHRLSPUHZXGSM-QWRGUYRKSA-N 1 0 391.320 2.685 20 0 GFADRO CC(C)Oc1cc(C(=O)N2CC[C@@H]([N@@H+]3CC[C@H](O)C3)C2)ccc1Br ZINC000627270305 565729503 /nfs/dbraw/zinc/72/95/03/565729503.db2.gz FVWBTCYPUUKQFE-CABCVRRESA-N 1 0 397.313 2.517 20 0 GFADRO C[C@H](NC(=O)C(=O)N1CC[C@@H]2CC[N@H+](C)C[C@@H]21)c1ccc(Cl)c(Cl)c1 ZINC000670587545 565731445 /nfs/dbraw/zinc/73/14/45/565731445.db2.gz KKWFZGVURIATAV-MKBNYLNASA-N 1 0 384.307 2.723 20 0 GFADRO COC(=O)c1cc(C(=O)N[C@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)on1 ZINC000600472749 565731689 /nfs/dbraw/zinc/73/16/89/565731689.db2.gz POBJEUFCYYKTGF-CYBMUJFWSA-N 1 0 386.235 2.801 20 0 GFADRO C[C@@H]1[C@H](C(=O)N[C@H]2CCCN(c3ccc(Cl)cc3Cl)C2=O)CC[N@@H+]1C ZINC000648876830 565736224 /nfs/dbraw/zinc/73/62/24/565736224.db2.gz LZFYTFOTEZBCIS-KYOSRNDESA-N 1 0 384.307 2.945 20 0 GFADRO CC[N@H+](CCNC(=O)C[C@@H](C)n1cc(Br)cn1)CCC(F)(F)F ZINC000648879384 565736676 /nfs/dbraw/zinc/73/66/76/565736676.db2.gz IPJZTIGFXYYZTH-LLVKDONJSA-N 1 0 399.255 2.987 20 0 GFADRO Cn1nc2cc(Br)ccc2c1C(=O)NCC[N@@H+]1CCCC1(C)C ZINC000648925719 565739326 /nfs/dbraw/zinc/73/93/26/565739326.db2.gz ZNLKKXRUBXMEFQ-UHFFFAOYSA-N 1 0 379.302 2.940 20 0 GFADRO Cc1c(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)cnn1-c1ccc(Br)cc1 ZINC000627647321 565744993 /nfs/dbraw/zinc/74/49/93/565744993.db2.gz VAGWLCTVVNYIQF-FVQHAEBGSA-N 1 0 389.297 2.575 20 0 GFADRO COc1cc(OC)c(NC(=O)C2([NH3+])Cc3ccccc3C2)cc1Br ZINC000649267425 565757201 /nfs/dbraw/zinc/75/72/01/565757201.db2.gz VZYCFLVFPGWCJD-UHFFFAOYSA-N 1 0 391.265 2.901 20 0 GFADRO CC(C)([NH3+])CCC(=O)N1CCC(C(=O)Nc2ccc(Br)cn2)CC1 ZINC000649299252 565758106 /nfs/dbraw/zinc/75/81/06/565758106.db2.gz BYWNKCDGTWXCKT-UHFFFAOYSA-N 1 0 397.317 2.539 20 0 GFADRO C[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000600963972 565761183 /nfs/dbraw/zinc/76/11/83/565761183.db2.gz MPYDYRHNXBZDNT-YOEHRIQHSA-N 1 0 380.330 2.876 20 0 GFADRO Cc1c(Br)cccc1NC(=O)C(=O)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000627906268 565761563 /nfs/dbraw/zinc/76/15/63/565761563.db2.gz OWMXJFBCVJAMIR-CQSZACIVSA-N 1 0 394.313 2.829 20 0 GFADRO COC(=O)Cc1sccc1C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000600994882 565762685 /nfs/dbraw/zinc/76/26/85/565762685.db2.gz BNDMDPUNPUOPGX-UHFFFAOYSA-N 1 0 382.551 2.555 20 0 GFADRO Cc1nc2sccn2c(=O)c1CC[NH+]1CCC2(CC1)C(F)(F)C2(F)F ZINC000649709194 565774224 /nfs/dbraw/zinc/77/42/24/565774224.db2.gz CNVNSNQVGOXDBO-UHFFFAOYSA-N 1 0 375.391 2.973 20 0 GFADRO O=C(CCOc1ccccc1Br)N1CCC([NH+]2CCOCC2)CC1 ZINC000628126983 565775246 /nfs/dbraw/zinc/77/52/46/565775246.db2.gz PKZISZFATXUBRH-UHFFFAOYSA-N 1 0 397.313 2.541 20 0 GFADRO CS[C@H]1CN(C(=O)Cc2csc(CCC(F)(F)F)n2)C[C@@H]1[NH+](C)C ZINC000601378599 565778832 /nfs/dbraw/zinc/77/88/32/565778832.db2.gz CVZXUTMPMLSREU-RYUDHWBXSA-N 1 0 381.489 2.685 20 0 GFADRO Cc1cc(Br)cc(C)c1N1CCC[C@H](N2C[C@H]3C[NH2+]C[C@H]3C2)C1=O ZINC000671678014 565779284 /nfs/dbraw/zinc/77/92/84/565779284.db2.gz AKIUIVZFEBGDGH-UXLLHSPISA-N 1 0 392.341 2.713 20 0 GFADRO C[C@H](CO)C1CC[NH+]([C@@H]2CCN(c3cccc(Br)c3)C2=O)CC1 ZINC000649798558 565779372 /nfs/dbraw/zinc/77/93/72/565779372.db2.gz CJPYNCQWNNRLEY-CXAGYDPISA-N 1 0 381.314 2.895 20 0 GFADRO C[NH+](C)C[C@@H]1CN(C(=O)c2nscc2Br)c2ccccc2O1 ZINC000649840681 565780973 /nfs/dbraw/zinc/78/09/73/565780973.db2.gz VGHLNPFTPYMRMT-SNVBAGLBSA-N 1 0 382.283 2.875 20 0 GFADRO Cn1ccc(C[N@H+](CCn2ccnc2)Cc2ccc(Br)o2)cc1=O ZINC000671702384 565782163 /nfs/dbraw/zinc/78/21/63/565782163.db2.gz HIRYYHANNPGLRZ-UHFFFAOYSA-N 1 0 391.269 2.640 20 0 GFADRO C[NH+](C)[C@@H]1CCN(c2ccc(NC(=O)c3nscc3Br)nc2)C1 ZINC000649854754 565782350 /nfs/dbraw/zinc/78/23/50/565782350.db2.gz QQSPEHOTAPWDHV-LLVKDONJSA-N 1 0 396.314 2.693 20 0 GFADRO COCC[N@@H+]1CCC[C@@H](NC(=O)C2(c3cc(F)cc(Br)c3)CC2)C1 ZINC000671704501 565782557 /nfs/dbraw/zinc/78/25/57/565782557.db2.gz WGDOSBFURCFSTP-MRXNPFEDSA-N 1 0 399.304 2.847 20 0 GFADRO C[N@H+](CCOc1ccc(S(N)(=O)=O)cc1)Cc1csc(C(F)(F)F)c1 ZINC000628293817 565783247 /nfs/dbraw/zinc/78/32/47/565783247.db2.gz UFXYEYQBNCTMIB-UHFFFAOYSA-N 1 0 394.440 2.925 20 0 GFADRO CC[NH+]1CCN(CCC(=O)NCC/C=C\c2ccc(Br)cc2)CC1 ZINC000628335128 565784765 /nfs/dbraw/zinc/78/47/65/565784765.db2.gz GBIBAYSMBCAFEL-HYXAFXHYSA-N 1 0 394.357 2.996 20 0 GFADRO CCC1([NH+]2CCCC2)CCN(S(=O)(=O)c2cc(C(=O)OC)cs2)CC1 ZINC000601497224 565787080 /nfs/dbraw/zinc/78/70/80/565787080.db2.gz QWRMIMNXTCYZOL-UHFFFAOYSA-N 1 0 386.539 2.564 20 0 GFADRO Cc1c(I)cccc1C(=O)N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000601559515 565792261 /nfs/dbraw/zinc/79/22/61/565792261.db2.gz UDUDLXSSAYRULO-DOMZBBRYSA-N 1 0 384.261 2.814 20 0 GFADRO O=C(CNC(=O)C1CC[NH+]([C@H]2CCSC2)CC1)c1ccc(Cl)cc1F ZINC000628897522 565814063 /nfs/dbraw/zinc/81/40/63/565814063.db2.gz IRIFSCFWMLPBED-AWEZNQCLSA-N 1 0 384.904 2.996 20 0 GFADRO CC[N@H+](CCCNC(=O)Cn1cc(Br)ccc1=O)C1CCCCC1 ZINC000650374598 565817265 /nfs/dbraw/zinc/81/72/65/565817265.db2.gz GUPSVEQXEYFFBW-UHFFFAOYSA-N 1 0 398.345 2.772 20 0 GFADRO O=C(NC[C@]1(O)CCSC1)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000650417283 565819125 /nfs/dbraw/zinc/81/91/25/565819125.db2.gz XDTZWBBBBPVNER-GOSISDBHSA-N 1 0 381.567 2.864 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)c2cnc3ncc(Br)cc3c2)C[N@@H+]1C1CC1 ZINC000672850099 565819715 /nfs/dbraw/zinc/81/97/15/565819715.db2.gz VQKKPZKFAXKQAV-QMTHXVAHSA-N 1 0 375.270 2.747 20 0 GFADRO CC[N@H+](CCNC(=O)N1C[C@H](C(F)(F)F)OC[C@@H]1C)CCC(F)(F)F ZINC000673042761 565826435 /nfs/dbraw/zinc/82/64/35/565826435.db2.gz RWCLPLKZZBWGJO-WDEREUQCSA-N 1 0 379.345 2.622 20 0 GFADRO Cc1ccc(I)cc1C(=O)N[C@H]1C[C@@H]([NH+]2CCCC2)C1 ZINC000602168166 565828259 /nfs/dbraw/zinc/82/82/59/565828259.db2.gz VEAQBRAERRAOGI-OKILXGFUSA-N 1 0 384.261 2.956 20 0 GFADRO C[C@@H](C[NH+](C)C)NC(=O)N1CCc2[nH]c3ccc(Br)cc3c2C1 ZINC000673186588 565829552 /nfs/dbraw/zinc/82/95/52/565829552.db2.gz BTCLWXJEWXGUCY-NSHDSACASA-N 1 0 379.302 2.948 20 0 GFADRO CC[NH+](CC)Cc1ccc(C(=O)Nc2nnc3ccc(Br)cn32)o1 ZINC000650681511 565830356 /nfs/dbraw/zinc/83/03/56/565830356.db2.gz DPCJRUNURKMVDJ-UHFFFAOYSA-N 1 0 392.257 3.179 20 0 GFADRO Cc1cc2cc(C(=O)N3CC[C@H]([N@@H+]4CC[C@@H](O)C4)C3)oc2c(Br)c1 ZINC000673516864 565838890 /nfs/dbraw/zinc/83/88/90/565838890.db2.gz SQXKCPXGSFWPIQ-UONOGXRCSA-N 1 0 393.281 2.785 20 0 GFADRO Cc1cc2cc(C(=O)N3CC[C@@H]([N@@H+]4CC[C@H](O)C4)C3)oc2c(Br)c1 ZINC000673516861 565838935 /nfs/dbraw/zinc/83/89/35/565838935.db2.gz SQXKCPXGSFWPIQ-KGLIPLIRSA-N 1 0 393.281 2.785 20 0 GFADRO Cc1cc(C(=O)NCC[C@H]2CC[NH2+]C2)c(I)cc1Cl ZINC000602429173 565847464 /nfs/dbraw/zinc/84/74/64/565847464.db2.gz MWBOAXLETVDCHL-SNVBAGLBSA-N 1 0 392.668 2.982 20 0 GFADRO Cc1sc(NC(=O)C2([S@@](C)=O)CC[NH2+]CC2)nc1-c1ccc(F)cc1 ZINC000602429535 565847606 /nfs/dbraw/zinc/84/76/06/565847606.db2.gz FPCJBNYTOKJNAZ-RUZDIDTESA-N 1 0 381.498 2.697 20 0 GFADRO C[NH2+]C[C@H]1CCN(C(=O)c2cc(C)c(Cl)cc2I)C1 ZINC000602429259 565847666 /nfs/dbraw/zinc/84/76/66/565847666.db2.gz NYBPYJBFSJGXLV-SNVBAGLBSA-N 1 0 392.668 2.935 20 0 GFADRO C[S@](=O)C1(C(=O)Nc2ncc(Cc3ccccc3Cl)s2)CC[NH2+]CC1 ZINC000602440784 565848737 /nfs/dbraw/zinc/84/87/37/565848737.db2.gz KJXJBOFBGAVJLC-VWLOTQADSA-N 1 0 397.953 2.827 20 0 GFADRO COc1ccc(CNC(=O)Nc2cnn(CC[NH+](C)C)c2)cc1Br ZINC000673868212 565850002 /nfs/dbraw/zinc/85/00/02/565850002.db2.gz ZCZRQSCYBAWCFN-UHFFFAOYSA-N 1 0 396.289 2.538 20 0 GFADRO C[S@@](=O)C1(C(=O)NCCCc2ccc(Cl)cc2Cl)CC[NH2+]CC1 ZINC000602464112 565850328 /nfs/dbraw/zinc/85/03/28/565850328.db2.gz JUFLRVFOKBDBEZ-HSZRJFAPSA-N 1 0 377.337 2.543 20 0 GFADRO C[NH+](C)CCn1cc(NC(=O)NCc2cc(F)cc(Br)c2)cn1 ZINC000673866455 565850459 /nfs/dbraw/zinc/85/04/59/565850459.db2.gz CMYZEHASABAHTF-UHFFFAOYSA-N 1 0 384.253 2.668 20 0 GFADRO CCn1cnnc1CC[NH2+]Cc1cc(Br)c2c(c1)OCCCO2 ZINC000673890158 565851323 /nfs/dbraw/zinc/85/13/23/565851323.db2.gz DLSDSGVMLCZKJY-UHFFFAOYSA-N 1 0 381.274 2.554 20 0 GFADRO CN1C(=O)C[C@H](C(=O)NC[C@@H]2CCC[N@@H+]2C)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000629453954 565853143 /nfs/dbraw/zinc/85/31/43/565853143.db2.gz ZCAHZAHSIGUKOP-DCGLDWPTSA-N 1 0 384.307 2.723 20 0 GFADRO CC[NH+]1CCN([C@H](C)CNc2ncc(Br)c3ccc(F)cc32)CC1 ZINC000651298084 565854383 /nfs/dbraw/zinc/85/43/83/565854383.db2.gz SZPLSEZQPPKRSN-CYBMUJFWSA-N 1 0 395.320 3.574 20 0 GFADRO C[C@H](C(=O)NCc1ccc(Cl)cc1)N1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629563283 565859314 /nfs/dbraw/zinc/85/93/14/565859314.db2.gz DNYZILPLERJPKN-ZLDLUXBVSA-N 1 0 377.838 2.804 20 0 GFADRO CC(=O)N1CCC[C@@H](C[NH2+]Cc2ccc(I)s2)C1 ZINC000602638647 565860040 /nfs/dbraw/zinc/86/00/40/565860040.db2.gz SMVOBZVUBJARMZ-NSHDSACASA-N 1 0 378.279 2.701 20 0 GFADRO CC(C)CC[C@H](CO)[NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000629591412 565861812 /nfs/dbraw/zinc/86/18/12/565861812.db2.gz IAFVOZOUMKPDHW-HUUCEWRRSA-N 1 0 378.282 2.715 20 0 GFADRO O[C@H](C[NH2+]C[C@H]1CCN1C1CCCC1)COc1cccc(Br)c1 ZINC000629603897 565863667 /nfs/dbraw/zinc/86/36/67/565863667.db2.gz QLGOZCABRBVYHS-IAGOWNOFSA-N 1 0 383.330 2.795 20 0 GFADRO COc1ccc(Br)cc1C[C@@H](CO)C[NH2+][C@H](C)c1c[nH]nc1C ZINC000651466802 565864942 /nfs/dbraw/zinc/86/49/42/565864942.db2.gz TWPOOMQGJZLQIW-DGCLKSJQSA-N 1 0 382.302 2.991 20 0 GFADRO Cc1cc(Br)sc1S(=O)(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000651525083 565869197 /nfs/dbraw/zinc/86/91/97/565869197.db2.gz SGQRGIMDNJMAGD-UHFFFAOYSA-N 1 0 393.372 2.972 20 0 GFADRO Cc1cc(S(=O)(=O)N[C@H]2CC[N@H+](CC3CC3)C2)sc1Br ZINC000674343304 565869659 /nfs/dbraw/zinc/86/96/59/565869659.db2.gz VESMMDROJHAPRO-NSHDSACASA-N 1 0 379.345 2.582 20 0 GFADRO O=S(=O)(Cc1ccc(Cl)cc1)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000651541737 565870642 /nfs/dbraw/zinc/87/06/42/565870642.db2.gz FRKOHFHPEYGRRR-UHFFFAOYSA-N 1 0 386.945 2.604 20 0 GFADRO OCC[N@H+](CCc1ccccc1)C[C@@H](O)COc1ccc(Br)cc1 ZINC000602879237 565873266 /nfs/dbraw/zinc/87/32/66/565873266.db2.gz SXQRHQYMQIGGNQ-GOSISDBHSA-N 1 0 394.309 2.726 20 0 GFADRO C[NH+](C)C[C@@H]1CN(S(=O)(=O)Cc2ccc(Cl)cc2)c2ccccc2O1 ZINC000651601634 565877714 /nfs/dbraw/zinc/87/77/14/565877714.db2.gz KQNBTGWEWRJEER-MRXNPFEDSA-N 1 0 380.897 2.999 20 0 GFADRO CC(C)N(Cc1cc(Br)ccc1F)C(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000630026839 565879898 /nfs/dbraw/zinc/87/98/98/565879898.db2.gz KAIRFFZOSQUSEY-KRWDZBQOSA-N 1 0 398.320 2.715 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)c2c(F)cncc2Br)CC[C@H]1C(F)(F)F ZINC000630092548 565880805 /nfs/dbraw/zinc/88/08/05/565880805.db2.gz RBWHOSOLFUNETJ-HTQZYQBOSA-N 1 0 384.171 2.583 20 0 GFADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)N1CCC[C@@H]1c1ccccc1Br ZINC000674779314 565882076 /nfs/dbraw/zinc/88/20/76/565882076.db2.gz YICLADJSCRLDQT-RHSMWYFYSA-N 1 0 395.345 2.541 20 0 GFADRO CCC(=O)N1CCC([NH2+]CC(=O)Nc2ccc(Br)c(C)c2)CC1 ZINC000674913662 565886953 /nfs/dbraw/zinc/88/69/53/565886953.db2.gz HMIFRHCXBJNKCL-UHFFFAOYSA-N 1 0 382.302 2.687 20 0 GFADRO COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)n1cc(CSCC[NH3+])nn1 ZINC000603187197 565888601 /nfs/dbraw/zinc/88/86/01/565888601.db2.gz ZNKCSJBPUJGYDF-LLVKDONJSA-N 1 0 383.905 2.640 20 0 GFADRO C[NH+](C)CCN1CCN(Cc2cnc(-c3ccc(Cl)cc3)s2)CC1=O ZINC000651891461 565901864 /nfs/dbraw/zinc/90/18/64/565901864.db2.gz XHMYJFYOGQHVHC-UHFFFAOYSA-N 1 0 378.929 2.669 20 0 GFADRO Cc1cc(C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)c(Br)s1 ZINC000675465749 565905174 /nfs/dbraw/zinc/90/51/74/565905174.db2.gz IBIJXZSQXXHKRR-ZDUSSCGKSA-N 1 0 386.359 2.671 20 0 GFADRO NS(=O)(=O)c1ccc(Cl)c(NC(=O)C[N@H+](C2CC2)C2CCCCC2)c1 ZINC000675489029 565906217 /nfs/dbraw/zinc/90/62/17/565906217.db2.gz CPRMMAVJZYQGLO-UHFFFAOYSA-N 1 0 385.917 2.723 20 0 GFADRO CN(C(=O)CCn1cc(Br)cn1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000675577985 565909319 /nfs/dbraw/zinc/90/93/19/565909319.db2.gz LJZCSUXENBJMOP-KRWDZBQOSA-N 1 0 391.313 2.769 20 0 GFADRO [NH3+][C@@H](CCNC(=O)c1nc(C2CC2)ncc1Br)Cc1ccccc1 ZINC000630580624 565910207 /nfs/dbraw/zinc/91/02/07/565910207.db2.gz DRWMJAXYKNYQFH-AWEZNQCLSA-N 1 0 389.297 2.806 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CC[NH2+]Cc1ccc(C(N)=O)cc1 ZINC000603516597 565910215 /nfs/dbraw/zinc/91/02/15/565910215.db2.gz PSTPSWXRHAPXQE-UHFFFAOYSA-N 1 0 390.281 2.975 20 0 GFADRO CCc1cccc(C[NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)c1 ZINC000652033038 565911871 /nfs/dbraw/zinc/91/18/71/565911871.db2.gz WUFAVIFZWPVIQF-UHFFFAOYSA-N 1 0 383.311 2.949 20 0 GFADRO Cc1cc(Br)ccc1C(=O)N1CCC([NH2+][C@@H](CO)CCF)CC1 ZINC000652020503 565912169 /nfs/dbraw/zinc/91/21/69/565912169.db2.gz ZXLDCADCTBWPSO-OAHLLOKOSA-N 1 0 387.293 2.672 20 0 GFADRO C[C@@H]([NH2+]CC(=O)N1CCN(C)CC1)c1ccc(SCC(F)(F)F)cc1 ZINC000675782016 565915232 /nfs/dbraw/zinc/91/52/32/565915232.db2.gz KFIQZIHPUGKAGD-CYBMUJFWSA-N 1 0 375.460 2.766 20 0 GFADRO C[C@@H](CNC(=O)N1CCC(CC[NH3+])CC1)Oc1ccc(Br)cc1 ZINC000652160945 565917665 /nfs/dbraw/zinc/91/76/65/565917665.db2.gz BGHWESBUBSLHOP-ZDUSSCGKSA-N 1 0 384.318 2.987 20 0 GFADRO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCN(C(=O)NCc3ccc(Br)cc3)C2)C1 ZINC000652148134 565917672 /nfs/dbraw/zinc/91/76/72/565917672.db2.gz OTEUSRCCJQIZEJ-USXIJHARSA-N 1 0 396.329 2.877 20 0 GFADRO C[C@@H](CNC(=O)NCCC1CC[NH2+]CC1)Oc1cccc(Br)c1 ZINC000652161764 565918609 /nfs/dbraw/zinc/91/86/09/565918609.db2.gz WTUHOGMTGZIOOL-ZDUSSCGKSA-N 1 0 384.318 2.905 20 0 GFADRO O=C(NC1CC[NH+](Cc2ccccn2)CC1)c1c(F)cncc1Br ZINC000630765360 565919161 /nfs/dbraw/zinc/91/91/61/565919161.db2.gz QFIBHCAMFQIFCK-UHFFFAOYSA-N 1 0 393.260 2.773 20 0 GFADRO CC[NH+]1CCC(CNC(=O)c2ccc3cncc(Br)c3n2)CC1 ZINC000630818685 565921380 /nfs/dbraw/zinc/92/13/80/565921380.db2.gz WZNWIFQPUQBHCM-UHFFFAOYSA-N 1 0 377.286 2.854 20 0 GFADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)N[C@@H](CO)c1cccc(Br)c1 ZINC000676003109 565922891 /nfs/dbraw/zinc/92/28/91/565922891.db2.gz YAHQPNNJYODMGF-HOTGVXAUSA-N 1 0 384.318 2.656 20 0 GFADRO CC[C@H](C[NH+]1CCCC1)NC(=O)N[C@@H](CO)c1cccc(Br)c1 ZINC000676003108 565923319 /nfs/dbraw/zinc/92/33/19/565923319.db2.gz YAHQPNNJYODMGF-CVEARBPZSA-N 1 0 384.318 2.656 20 0 GFADRO Cc1cc(Br)sc1S(=O)(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000652370197 565923969 /nfs/dbraw/zinc/92/39/69/565923969.db2.gz VTWFDCITVCQIEP-ZDUSSCGKSA-N 1 0 379.345 2.583 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(S(=O)(=O)c3csc4ccccc43)C2)C1 ZINC000652373855 565924559 /nfs/dbraw/zinc/92/45/59/565924559.db2.gz BWMXVVCIHQIYJA-FMKPAKJESA-N 1 0 380.535 2.808 20 0 GFADRO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCN(S(=O)(=O)Cc3ccc(Cl)c(F)c3)C2)C1 ZINC000652374206 565925433 /nfs/dbraw/zinc/92/54/33/565925433.db2.gz LSTDHKAXJMPXQQ-CKEIUWERSA-N 1 0 390.908 2.527 20 0 GFADRO Cc1cc(S(=O)(=O)N2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)sc1Cl ZINC000652374189 565925820 /nfs/dbraw/zinc/92/58/20/565925820.db2.gz LFYODYKYBJLYAU-YNEHKIRRSA-N 1 0 378.947 2.617 20 0 GFADRO Cc1ccc(Br)c(S(=O)(=O)N2CCC[C@H](C)[C@@H]2CC[NH3+])c1 ZINC000652378112 565926455 /nfs/dbraw/zinc/92/64/55/565926455.db2.gz YRNFTZULRCWXFE-JSGCOSHPSA-N 1 0 375.332 2.896 20 0 GFADRO C[C@@H]1CCCN(S(=O)(=O)c2cc(F)c(Br)cc2F)[C@H]1CC[NH3+] ZINC000652378077 565926626 /nfs/dbraw/zinc/92/66/26/565926626.db2.gz YCWZEWLBWDRRRV-RNCFNFMXSA-N 1 0 397.285 2.865 20 0 GFADRO CC(=O)Nc1cc(F)c(S(=O)(=O)N2CCC[C@H](C)[C@H]2CC[NH3+])cc1Cl ZINC000652377439 565926683 /nfs/dbraw/zinc/92/66/83/565926683.db2.gz HFSUPGQMCKFXHI-ZUZCIYMTSA-N 1 0 391.896 2.576 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2S(=O)(=O)c2c(Cl)ccc(F)c2F)C1 ZINC000652383215 565927628 /nfs/dbraw/zinc/92/76/28/565927628.db2.gz GIJOWIZOOYJWRT-HONMWMINSA-N 1 0 394.871 2.668 20 0 GFADRO C[NH2+]Cc1ccccc1CNS(=O)(=O)c1ccc(Br)cc1C ZINC000652381879 565927718 /nfs/dbraw/zinc/92/77/18/565927718.db2.gz XUTRGRXHGNFTSF-UHFFFAOYSA-N 1 0 383.311 2.955 20 0 GFADRO O=C(NCC1CC[NH+](Cc2ccccc2Cl)CC1)c1csc(CO)n1 ZINC000630948554 565928994 /nfs/dbraw/zinc/92/89/94/565928994.db2.gz HNWXIIFDANXYAW-UHFFFAOYSA-N 1 0 379.913 2.931 20 0 GFADRO CN1CCN([C@H](C[NH2+]Cc2ccncc2Br)c2cccs2)CC1 ZINC000631030040 565933618 /nfs/dbraw/zinc/93/36/18/565933618.db2.gz ILWSKCKAKXLTGO-MRXNPFEDSA-N 1 0 395.370 2.984 20 0 GFADRO Cc1ccc(NC(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)cc1Br ZINC000604612558 565933709 /nfs/dbraw/zinc/93/37/09/565933709.db2.gz BRAOKJMNWHWHMM-JKSUJKDBSA-N 1 0 382.302 2.820 20 0 GFADRO CC(C)n1ncnc1C[NH2+]CCCNC(=O)c1cccc(Br)c1 ZINC000631058251 565936854 /nfs/dbraw/zinc/93/68/54/565936854.db2.gz PEHQEWKFGPNEOD-UHFFFAOYSA-N 1 0 380.290 2.531 20 0 GFADRO O=S(=O)(C1CC1)N1CCC([NH2+]Cc2ccc(CC(F)(F)F)cc2)CC1 ZINC000631087211 565940061 /nfs/dbraw/zinc/94/00/61/565940061.db2.gz PFDHJVLNLVJRDA-UHFFFAOYSA-N 1 0 376.444 2.838 20 0 GFADRO COc1cc(C[NH2+][C@H](CCO)C2CCOCC2)c(F)cc1Br ZINC000631111478 565941720 /nfs/dbraw/zinc/94/17/20/565941720.db2.gz KQEKOGJHQLASQI-OAHLLOKOSA-N 1 0 376.266 2.864 20 0 GFADRO COc1cc2c(cc1F)CC[C@H]2[NH2+]Cc1ccc(Cl)c(S(N)(=O)=O)c1 ZINC000631128825 565943273 /nfs/dbraw/zinc/94/32/73/565943273.db2.gz DNTSCUUGNWETPB-OAHLLOKOSA-N 1 0 384.860 2.912 20 0 GFADRO C[C@@H]([NH2+]Cc1ccc(Cl)c(S(N)(=O)=O)c1)[C@@H]1OCCc2sccc21 ZINC000631141605 565943761 /nfs/dbraw/zinc/94/37/61/565943761.db2.gz GGJCOCPGHDKONY-HWPZZCPQSA-N 1 0 386.926 2.841 20 0 GFADRO CCOc1ccc(Br)cc1S(=O)(=O)N(CC[NH+](C)C)C(C)C ZINC000676640816 565944304 /nfs/dbraw/zinc/94/43/04/565944304.db2.gz TXIMFCLUFQQLCN-UHFFFAOYSA-N 1 0 393.347 2.809 20 0 GFADRO C[C@@H](C(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1)[C@H](C)S(C)(=O)=O ZINC000652870675 565944571 /nfs/dbraw/zinc/94/45/71/565944571.db2.gz GJTWDXCOOWGQDB-CABCVRRESA-N 1 0 384.567 2.882 20 0 GFADRO Cc1nc(C)c(-c2csc(NC(=O)c3cnn(CC[NH+](C)C)c3)n2)s1 ZINC000631171588 565945233 /nfs/dbraw/zinc/94/52/33/565945233.db2.gz KUVKHKIULVLODW-UHFFFAOYSA-N 1 0 376.511 2.894 20 0 GFADRO CC[C@H](C(=O)NCC(=O)Nc1ccc(Br)cc1C)[NH+](CC)CC ZINC000605367918 565950127 /nfs/dbraw/zinc/95/01/27/565950127.db2.gz QMXNHTZKAUNSGS-OAHLLOKOSA-N 1 0 384.318 2.933 20 0 GFADRO CC[NH+]1CCN(CCNC(=O)c2oc3ccccc3c2Br)CC1 ZINC000631280740 565952626 /nfs/dbraw/zinc/95/26/26/565952626.db2.gz MPIXXRYHIKDCPJ-UHFFFAOYSA-N 1 0 380.286 2.563 20 0 GFADRO Cc1c(Br)csc1C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000631312784 565953811 /nfs/dbraw/zinc/95/38/11/565953811.db2.gz HDAWAYWQRJQMOZ-ZDUSSCGKSA-N 1 0 386.359 2.671 20 0 GFADRO CC(C)C[N@H+](C)CCCNc1cccc(OC(F)(F)F)c1S(N)(=O)=O ZINC000631329615 565954861 /nfs/dbraw/zinc/95/48/61/565954861.db2.gz QFRWZNAZZKVJBO-UHFFFAOYSA-N 1 0 383.436 2.622 20 0 GFADRO COC[C@H]1C[C@@H](O)CN1c1cc(C)nc(-c2ccc(Br)cc2)n1 ZINC000631326173 565954908 /nfs/dbraw/zinc/95/49/08/565954908.db2.gz HHQAHZTYNYRJGV-HUUCEWRRSA-N 1 0 378.270 2.801 20 0 GFADRO Cc1c(Br)c[nH]c(=O)c1C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000631412078 565956651 /nfs/dbraw/zinc/95/66/51/565956651.db2.gz PCJPJNJKKGIPCG-CYBMUJFWSA-N 1 0 382.302 2.949 20 0 GFADRO O=C(CC1CSC1)N1CCCN(Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000631403610 565957179 /nfs/dbraw/zinc/95/71/79/565957179.db2.gz UWEYQHNYNJNVQT-UHFFFAOYSA-N 1 0 378.929 2.775 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(C(=O)c3ccc(Br)c(F)c3)C2)C1 ZINC000653188682 565958476 /nfs/dbraw/zinc/95/84/76/565958476.db2.gz NLPDFTNLBRGGNS-ZENOOKHLSA-N 1 0 385.277 2.947 20 0 GFADRO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCN(C(=O)c3cc(F)ccc3Br)C2)C1 ZINC000653190448 565958555 /nfs/dbraw/zinc/95/85/55/565958555.db2.gz KCESXPVTWKKPME-AXAPSJFSSA-N 1 0 385.277 2.947 20 0 GFADRO COCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@H]2c2cccc(Br)c2)C1 ZINC000653225370 565959605 /nfs/dbraw/zinc/95/96/05/565959605.db2.gz YMWTVYFCRYDDAQ-YESZJQIVSA-N 1 0 381.314 2.780 20 0 GFADRO [NH3+]C[C@]12CCC[C@H]1CN(C(=O)C[C@@H]1Sc3ccc(Cl)cc3NC1=O)C2 ZINC000653196882 565959736 /nfs/dbraw/zinc/95/97/36/565959736.db2.gz DDXMXWVBVFYVDR-GYOIFBIXSA-N 1 0 379.913 2.730 20 0 GFADRO CCO[C@@H]1CN(C(=O)c2cc3sc(N(CC)CC)nc3s2)C[C@H]1C[NH3+] ZINC000653247195 565960227 /nfs/dbraw/zinc/96/02/27/565960227.db2.gz PWSWMLODDBNJHQ-VXGBXAGGSA-N 1 0 382.555 2.640 20 0 GFADRO [NH3+]CCC1CCN(C(=O)[C@H]2CC(=O)N(c3cc(Cl)cc(Cl)c3)C2)CC1 ZINC000653257003 565960248 /nfs/dbraw/zinc/96/02/48/565960248.db2.gz YTZBGHNVTRRLFI-ZDUSSCGKSA-N 1 0 384.307 2.934 20 0 GFADRO CCO[C@@H]1CN(C(=O)CCSc2ccc(Br)cc2)C[C@H]1C[NH3+] ZINC000653245900 565960681 /nfs/dbraw/zinc/96/06/81/565960681.db2.gz SEWNTILEIHSLLB-IUODEOHRSA-N 1 0 387.343 2.754 20 0 GFADRO O=C(NCCC1CC[NH2+]CC1)c1[nH]nc(-c2ccccc2)c1Br ZINC000653270168 565961278 /nfs/dbraw/zinc/96/12/78/565961278.db2.gz HFHFEVNGTBQUJE-UHFFFAOYSA-N 1 0 377.286 2.959 20 0 GFADRO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3c2cccc3Br)C(=O)N1c1cnn(C)c1 ZINC000677139172 565961613 /nfs/dbraw/zinc/96/16/13/565961613.db2.gz ROARBNSRKMCTFL-SSKCKEOISA-N 1 0 389.297 2.954 20 0 GFADRO CC(C)C[N@H+](C)CCCNC(=O)C(=O)N[C@H](C)c1ccc(Br)cc1 ZINC000653354340 565964551 /nfs/dbraw/zinc/96/45/51/565964551.db2.gz UPGLVYCEPNQGLG-CQSZACIVSA-N 1 0 398.345 2.720 20 0 GFADRO CN(CC1CC1)S(=O)(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000606458147 565965060 /nfs/dbraw/zinc/96/50/60/565965060.db2.gz GIFUZXNYEUVZSX-UHFFFAOYSA-N 1 0 385.961 2.728 20 0 GFADRO C[C@H](NS(=O)(=O)CCCN1CC[NH+](C)CC1)c1ccc(Cl)cc1Cl ZINC000631655059 565965339 /nfs/dbraw/zinc/96/53/39/565965339.db2.gz MFAZBLAUMZCCFG-ZDUSSCGKSA-N 1 0 394.368 2.611 20 0 GFADRO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)NCc2n[nH]cc2Br)C1 ZINC000606489253 565966274 /nfs/dbraw/zinc/96/62/74/565966274.db2.gz DIMGKBYRDPOHEG-STQMWFEESA-N 1 0 386.338 2.730 20 0 GFADRO C[N@@H+]1CCC[C@@H](NC(=O)Nc2cnn(-c3ccccc3Br)c2)C1 ZINC000677376801 565972308 /nfs/dbraw/zinc/97/23/08/565972308.db2.gz ZSCYXNLVVFJAPN-GFCCVEGCSA-N 1 0 378.274 2.851 20 0 GFADRO CN(CCCC[NH+](C)C)C(=O)[C@H]1CSCN1C(=O)c1ccc(Cl)cc1 ZINC000607033285 565975322 /nfs/dbraw/zinc/97/53/22/565975322.db2.gz NZXLPQSXMSVCTI-MRXNPFEDSA-N 1 0 383.945 2.655 20 0 GFADRO CN(CCCC[NH+](C)C)C(=O)[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000607052102 565976564 /nfs/dbraw/zinc/97/65/64/565976564.db2.gz MCQMNCSHLVPCSQ-INIZCTEOSA-N 1 0 396.329 2.602 20 0 GFADRO O=c1[nH]cc(S(=O)(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)s1 ZINC000631841343 565977954 /nfs/dbraw/zinc/97/79/54/565977954.db2.gz JIURMCBNUZDWAW-UHFFFAOYSA-N 1 0 381.523 2.703 20 0 GFADRO O=C(CN1CCC[C@H]2C[NH2+]CC[C@H]21)Nc1c(F)cc(F)cc1Br ZINC000631885767 565979880 /nfs/dbraw/zinc/97/98/80/565979880.db2.gz DSEVSQJSDMLUBP-IINYFYTJSA-N 1 0 388.256 2.740 20 0 GFADRO O=c1[nH]c2ccc(S(=O)(=O)N3CCC[C@H]3C[NH+]3CCCCC3)cc2s1 ZINC000631894917 565981346 /nfs/dbraw/zinc/98/13/46/565981346.db2.gz HPHBBSHJPSTERK-ZDUSSCGKSA-N 1 0 381.523 2.641 20 0 GFADRO CCCC[N@H+](C)CCNC(=O)Nc1ccc(NS(C)(=O)=O)c(Cl)c1 ZINC000607215715 565981542 /nfs/dbraw/zinc/98/15/42/565981542.db2.gz QENOEPWGAWTTIW-UHFFFAOYSA-N 1 0 376.910 2.565 20 0 GFADRO CC1([NH3+])CCN(S(=O)(=O)c2cnc3c(Br)csc3c2)CC1 ZINC000631930633 565983466 /nfs/dbraw/zinc/98/34/66/565983466.db2.gz SFPKEDFGDNKKGZ-UHFFFAOYSA-N 1 0 390.328 2.561 20 0 GFADRO O=S(=O)(c1cscc1Br)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000631940063 565984567 /nfs/dbraw/zinc/98/45/67/565984567.db2.gz OHRXRLZBALKJLD-RYUDHWBXSA-N 1 0 393.372 2.911 20 0 GFADRO O=S(=O)(c1cscc1Br)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000631940662 565984985 /nfs/dbraw/zinc/98/49/85/565984985.db2.gz DCQHRVMLGBXGDV-WDEREUQCSA-N 1 0 379.345 2.521 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)CCNC(=O)Nc2ccc(Br)cc2)CC[N@@H+]1C ZINC000607690171 565987284 /nfs/dbraw/zinc/98/72/84/565987284.db2.gz DYUYJXZVUWIVQK-IUODEOHRSA-N 1 0 397.317 2.560 20 0 GFADRO CC1(C)C[NH2+]CC[C@H](NS(=O)(=O)Cc2ccc(Br)cc2)C1 ZINC000631978000 565987618 /nfs/dbraw/zinc/98/76/18/565987618.db2.gz YTJBQRAQDCKVFI-AWEZNQCLSA-N 1 0 375.332 2.647 20 0 GFADRO O=S(=O)(c1ccc(Br)cc1C(F)(F)F)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000631971300 565987979 /nfs/dbraw/zinc/98/79/79/565987979.db2.gz IGBBMLQRDLMCBH-AOOOYVTPSA-N 1 0 399.232 2.593 20 0 GFADRO CC1(C)C[NH2+]CC[C@H](NS(=O)(=O)Cc2cc(F)ccc2Br)C1 ZINC000631976572 565988137 /nfs/dbraw/zinc/98/81/37/565988137.db2.gz AOQXXBKACAPSDW-ZDUSSCGKSA-N 1 0 393.322 2.786 20 0 GFADRO O=C(Nc1ccccc1SCC(F)(F)F)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000653931315 565988770 /nfs/dbraw/zinc/98/87/70/565988770.db2.gz FYKHOHZMYSLGMY-NWDGAFQWSA-N 1 0 375.416 2.624 20 0 GFADRO O=S(=O)(c1c(Cl)cccc1Br)N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631993671 565989837 /nfs/dbraw/zinc/98/98/37/565989837.db2.gz XDTRTXGFZTXNJN-GXFFZTMASA-N 1 0 393.734 2.865 20 0 GFADRO COCC[N@@H+]1CCC[C@@H](NC(=O)[C@H](C)Cc2ccc(Br)cc2)C1 ZINC000677964865 565990785 /nfs/dbraw/zinc/99/07/85/565990785.db2.gz IXZXDPNQAWSOTG-RHSMWYFYSA-N 1 0 383.330 2.855 20 0 GFADRO C[C@H](C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1)c1ccc(Br)cc1 ZINC000678008830 565992957 /nfs/dbraw/zinc/99/29/57/565992957.db2.gz DUHTZMOLFUUTKH-MAUKXSAKSA-N 1 0 394.357 2.791 20 0 GFADRO CCCn1cc(C(=O)N(CC[NH+](C)C)Cc2ccc(Br)cc2)nn1 ZINC000678003623 565993030 /nfs/dbraw/zinc/99/30/30/565993030.db2.gz IKLGTJWHACLAQU-UHFFFAOYSA-N 1 0 394.317 2.655 20 0 GFADRO O=c1[nH]c2ccc(S(=O)(=O)NC3CC[NH+](C4CCCC4)CC3)cc2s1 ZINC000632069872 565996804 /nfs/dbraw/zinc/99/68/04/565996804.db2.gz JLLZOIVKIBXPMO-UHFFFAOYSA-N 1 0 381.523 2.687 20 0 GFADRO C[NH+]1CCC([C@@H]2CCN(C(=O)c3cc(Br)c4nccn4c3)C2)CC1 ZINC000632115753 566000506 /nfs/dbraw/zinc/00/05/06/566000506.db2.gz BTNWZQLKMACZOW-CQSZACIVSA-N 1 0 391.313 2.901 20 0 GFADRO C[C@@H]1C[C@H]1N1C[C@@H]([NH2+]Cc2cnn(-c3ccc(Br)cc3)c2)CC1=O ZINC000608071348 566002444 /nfs/dbraw/zinc/00/24/44/566002444.db2.gz BVMSYBCTFHMPFN-ISTRZQFTSA-N 1 0 389.297 2.734 20 0 GFADRO Cc1c(Br)cccc1C[C@H](CO)CNC(=O)[C@H]1CCCC[N@H+]1C ZINC000654252189 566002931 /nfs/dbraw/zinc/00/29/31/566002931.db2.gz KGKOROFBODWNDI-WMLDXEAASA-N 1 0 383.330 2.509 20 0 GFADRO O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1cc(Br)c2c(c1)OCCO2 ZINC000654312534 566005027 /nfs/dbraw/zinc/00/50/27/566005027.db2.gz WTFCBCLMHLSTEI-HUUCEWRRSA-N 1 0 395.297 2.967 20 0 GFADRO C[NH+](C)CCCS(=O)(=O)N1CCC[C@H]1c1ccc(Br)s1 ZINC000632205427 566010515 /nfs/dbraw/zinc/01/05/15/566010515.db2.gz YWVARXAMAYUNQL-NSHDSACASA-N 1 0 381.361 2.929 20 0 GFADRO Brc1ccccc1-n1cc(CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)nn1 ZINC000678580794 566013328 /nfs/dbraw/zinc/01/33/28/566013328.db2.gz MUXCYAJGMWITTA-ZFWWWQNUSA-N 1 0 376.302 2.746 20 0 GFADRO CCN(CCNS(=O)(=O)c1ccc2[nH]c(=O)sc2c1)CCC(F)(F)F ZINC000632275004 566015823 /nfs/dbraw/zinc/01/58/23/566015823.db2.gz LXIBONBPMXROFB-UHFFFAOYSA-N 1 0 397.444 2.555 20 0 GFADRO COc1ccc([C@H](C)NCc2nc3c(cnn3C)c(=O)[nH]2)cc1Br ZINC000678733020 566018074 /nfs/dbraw/zinc/01/80/74/566018074.db2.gz DUIVUMZHOURJNF-VIFPVBQESA-N 1 0 392.257 2.691 20 0 GFADRO CCN(CCOc1ccc(Br)cc1)C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000608647643 566020061 /nfs/dbraw/zinc/02/00/61/566020061.db2.gz GWCUYQMREQVQGG-OAHLLOKOSA-N 1 0 384.318 2.954 20 0 GFADRO CC[N@H+](CCNC(=O)c1cc(F)ccc1I)C1CC1 ZINC000608789519 566023048 /nfs/dbraw/zinc/02/30/48/566023048.db2.gz IRLYEILNZULAGR-UHFFFAOYSA-N 1 0 376.213 2.644 20 0 GFADRO CCN(C1CC[NH+](C)CC1)S(=O)(=O)CCc1ccccc1Br ZINC000632408605 566029570 /nfs/dbraw/zinc/02/95/70/566029570.db2.gz NPYLAVYOOCWBCB-UHFFFAOYSA-N 1 0 389.359 2.738 20 0 GFADRO CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc(OCC(F)(F)F)cc1 ZINC000632408134 566029605 /nfs/dbraw/zinc/02/96/05/566029605.db2.gz UNCUGFJZUCCMLZ-UHFFFAOYSA-N 1 0 380.432 2.733 20 0 GFADRO CO[C@@H](C(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1)c1ccccc1Br ZINC000655030037 566036455 /nfs/dbraw/zinc/03/64/55/566036455.db2.gz BYQVPUDLQNHMSP-WMLDXEAASA-N 1 0 399.329 2.754 20 0 GFADRO O[C@H](CN[C@@H](c1ccc(Br)cc1)[C@H]1CCCO1)C[NH+]1CCCC1 ZINC000679338932 566037807 /nfs/dbraw/zinc/03/78/07/566037807.db2.gz KJGLPMKTLMCOPY-KURKYZTESA-N 1 0 383.330 2.716 20 0 GFADRO C[NH+](C)CCn1ccc(C(=O)N[C@@H]2CCc3c2ccc(F)c3Br)n1 ZINC000655130361 566041137 /nfs/dbraw/zinc/04/11/37/566041137.db2.gz BTHKXTVQWWMIJU-CQSZACIVSA-N 1 0 395.276 2.764 20 0 GFADRO CN(C(=O)c1csc(I)c1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000609509108 566041939 /nfs/dbraw/zinc/04/19/39/566041939.db2.gz GOERNLLFVBQZMM-LLVKDONJSA-N 1 0 376.263 2.661 20 0 GFADRO CN(C)C(=O)CC1CC[NH+](C[C@H](O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000679674185 566049108 /nfs/dbraw/zinc/04/91/08/566049108.db2.gz COZYJWBUFWOMSQ-AWEZNQCLSA-N 1 0 389.323 2.923 20 0 GFADRO CC[NH+]1CCC(CNC(=O)N[C@H](CCO)c2ccccc2Br)CC1 ZINC000679777511 566051913 /nfs/dbraw/zinc/05/19/13/566051913.db2.gz FQQVAPAVOFBXNB-QGZVFWFLSA-N 1 0 398.345 2.904 20 0 GFADRO O=C(NC[C@@H]1CCN(c2cccc(Br)c2)C1)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000655445799 566057386 /nfs/dbraw/zinc/05/73/86/566057386.db2.gz NABGMRAQNBCDOQ-UCLAIMLFSA-N 1 0 392.341 2.781 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000655431613 566057621 /nfs/dbraw/zinc/05/76/21/566057621.db2.gz UQYZHFKAAGDLIZ-KBXCAEBGSA-N 1 0 394.313 2.592 20 0 GFADRO [NH3+]C[C@@H](NC(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl)C(F)(F)F ZINC000655508145 566060847 /nfs/dbraw/zinc/06/08/47/566060847.db2.gz BPKORHSATLDTPP-NWDGAFQWSA-N 1 0 398.212 2.604 20 0 GFADRO CSC[C@](C)(O)CNC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000610022321 566061287 /nfs/dbraw/zinc/06/12/87/566061287.db2.gz LNBPQYQITAGAJT-FUHWJXTLSA-N 1 0 385.961 2.890 20 0 GFADRO COc1cc(Br)ccc1CCCNC(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000680092570 566062253 /nfs/dbraw/zinc/06/22/53/566062253.db2.gz KLNJVHHHZSAIQY-OAHLLOKOSA-N 1 0 384.318 2.784 20 0 GFADRO Cc1nc(C(=O)N[C@@H](C[NH3+])C(F)(F)F)nn1-c1c(Cl)cccc1Cl ZINC000655511820 566062447 /nfs/dbraw/zinc/06/24/47/566062447.db2.gz MAQOQMDFROSDLX-VIFPVBQESA-N 1 0 382.173 2.502 20 0 GFADRO Cc1c(Br)cccc1CS(=O)(=O)N1CCC[C@H]1C[NH+](C)C ZINC000655538533 566065209 /nfs/dbraw/zinc/06/52/09/566065209.db2.gz QNTZBAGDUKDTGO-AWEZNQCLSA-N 1 0 375.332 2.613 20 0 GFADRO Cc1c(Br)cccc1CS(=O)(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000655533743 566065374 /nfs/dbraw/zinc/06/53/74/566065374.db2.gz NRANUMIOAJSVKV-RISCZKNCSA-N 1 0 387.343 2.802 20 0 GFADRO COC1(C[NH2+]Cc2ncc(Br)cc2Br)CCOCC1 ZINC000680369629 566068598 /nfs/dbraw/zinc/06/85/98/566068598.db2.gz QPTBWLYZNUYQCW-UHFFFAOYSA-N 1 0 394.107 2.892 20 0 GFADRO O=C([C@@H]1CCOc2ccc(Br)cc21)N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000632864477 566071911 /nfs/dbraw/zinc/07/19/11/566071911.db2.gz OXEKVROYTSWEMX-XPKDYRNWSA-N 1 0 379.298 2.916 20 0 GFADRO C[C@H](CC(=O)N1C[C@H](C[NH3+])Cc2ccccc21)n1cc(Br)cn1 ZINC000632869902 566071992 /nfs/dbraw/zinc/07/19/92/566071992.db2.gz RTFRBOZFTCNVGN-OLZOCXBDSA-N 1 0 377.286 2.761 20 0 GFADRO C[C@@H](CC(=O)N1C[C@@H](C[NH3+])Cc2ccccc21)n1cc(Br)cn1 ZINC000632869903 566072363 /nfs/dbraw/zinc/07/23/63/566072363.db2.gz RTFRBOZFTCNVGN-QWHCGFSZSA-N 1 0 377.286 2.761 20 0 GFADRO C[C@H]1C[C@H]([NH3+])CN1C(=O)Nc1ccc(CCn2cc(Br)cn2)cc1 ZINC000632915271 566074490 /nfs/dbraw/zinc/07/44/90/566074490.db2.gz IBLQOUXQPZASFF-WFASDCNBSA-N 1 0 392.301 2.842 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000633046551 566080470 /nfs/dbraw/zinc/08/04/70/566080470.db2.gz DEUWRUUSOULYJZ-AWEZNQCLSA-N 1 0 396.329 2.899 20 0 GFADRO [NH3+]C[C@H]1CC[C@H](NC(=O)C(=O)Nc2ccc(Cl)c(Br)c2)CC1 ZINC000633037556 566080809 /nfs/dbraw/zinc/08/08/09/566080809.db2.gz XKXFSALXNGFGBL-MGCOHNPYSA-N 1 0 388.693 2.675 20 0 GFADRO [NH3+]C[C@H]1CC[C@H](NC(=O)C(=O)Nc2ccc(Br)cc2Cl)CC1 ZINC000633037545 566080856 /nfs/dbraw/zinc/08/08/56/566080856.db2.gz XDQPONOSMNPBAQ-HOMQSWHASA-N 1 0 388.693 2.675 20 0 GFADRO Cc1ccc(NC(=O)C(=O)N[C@H]2CC[NH2+]CC(C)(C)C2)c(Br)c1 ZINC000633047421 566081613 /nfs/dbraw/zinc/08/16/13/566081613.db2.gz OMOZDQJDYRBTSK-LBPRGKRZSA-N 1 0 382.302 2.590 20 0 GFADRO Cc1ccc(-c2ncc(C[NH2+][C@H]3CCCN(S(C)(=O)=O)C3)s2)cc1C ZINC000655720734 566083606 /nfs/dbraw/zinc/08/36/06/566083606.db2.gz FGHFMYDUHLQZOB-INIZCTEOSA-N 1 0 379.551 2.941 20 0 GFADRO O=C(NCCC[NH2+]Cc1cc2n(n1)CCCC2)c1cccc(Br)c1 ZINC000655725888 566083766 /nfs/dbraw/zinc/08/37/66/566083766.db2.gz ZYSNIPWOCCPKMO-UHFFFAOYSA-N 1 0 391.313 2.892 20 0 GFADRO Cc1nn(-c2ccccc2Br)cc1C[NH2+]C[C@]1(CCO)CCOC1 ZINC000655748337 566085215 /nfs/dbraw/zinc/08/52/15/566085215.db2.gz XINKSJPMPGZWTL-SFHVURJKSA-N 1 0 394.313 2.822 20 0 GFADRO COC[C@](C)(CCO)[NH2+]Cc1cn(-c2ccccc2Br)nc1C ZINC000655744914 566085585 /nfs/dbraw/zinc/08/55/85/566085585.db2.gz XEYQVPYGVSOYST-KRWDZBQOSA-N 1 0 382.302 2.820 20 0 GFADRO CN(c1ccc(C[NH2+]Cc2cncc(Br)c2)cc1)S(C)(=O)=O ZINC000681006711 566090433 /nfs/dbraw/zinc/09/04/33/566090433.db2.gz AMFWLMLLDYOTRF-UHFFFAOYSA-N 1 0 384.299 2.530 20 0 GFADRO C[C@H](c1ccccc1)[C@H](CO)[NH2+][C@@H](C(N)=O)c1ccc(Br)cc1 ZINC000680993953 566090658 /nfs/dbraw/zinc/09/06/58/566090658.db2.gz RNHGWSTWPARMKX-OAUYIBNBSA-N 1 0 377.282 2.730 20 0 GFADRO [NH3+]C[C@H](NC(=O)N1CCc2cc(Br)cc(F)c2C1)C(F)(F)F ZINC000655919543 566095007 /nfs/dbraw/zinc/09/50/07/566095007.db2.gz CAGPBHCWNNQVCU-NSHDSACASA-N 1 0 384.171 2.546 20 0 GFADRO Cc1c(Br)cccc1CS(=O)(=O)N1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000655950472 566099506 /nfs/dbraw/zinc/09/95/06/566099506.db2.gz LUPYLWAMZNUDSH-NHYWBVRUSA-N 1 0 375.332 2.647 20 0 GFADRO C[C@@]1(CNC(=O)N2CCOc3cccc(Br)c3C2)CCC[NH2+]C1 ZINC000655965143 566099917 /nfs/dbraw/zinc/09/99/17/566099917.db2.gz OJQDNVVLCFYZMI-QGZVFWFLSA-N 1 0 382.302 2.743 20 0 GFADRO CC[NH+](CC)[C@H](CNS(=O)(=O)Cc1csc(C)n1)Cc1ccccc1 ZINC000681313523 566100926 /nfs/dbraw/zinc/10/09/26/566100926.db2.gz WEXSJOXUBBDLMY-SFHVURJKSA-N 1 0 381.567 2.824 20 0 GFADRO CCN(CC)S(=O)(=O)c1ccc(CCNc2ncnc(C)c2OC)s1 ZINC000656119385 566104398 /nfs/dbraw/zinc/10/43/98/566104398.db2.gz MZXOVPMJWAJUMI-UHFFFAOYSA-N 1 0 384.527 2.540 20 0 GFADRO CS[C@@H]1CN(C(=O)C2(c3ccc(Br)cc3)CC2)C[C@H]1[NH+](C)C ZINC000611165472 566118508 /nfs/dbraw/zinc/11/85/08/566118508.db2.gz VSNISTMKMJOIBR-HUUCEWRRSA-N 1 0 383.355 2.985 20 0 GFADRO COC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1cn(-c2ccccc2Br)nc1C ZINC000656264665 566120907 /nfs/dbraw/zinc/12/09/07/566120907.db2.gz PADGYHBFXZZZHJ-LSDHHAIUSA-N 1 0 380.286 2.525 20 0 GFADRO CNC(=O)[C@H]1CC[N@H+](Cc2cn(-c3cccc(Br)c3)nc2C)C1 ZINC000656264785 566120931 /nfs/dbraw/zinc/12/09/31/566120931.db2.gz SFYAQDITKRSXKB-ZDUSSCGKSA-N 1 0 377.286 2.511 20 0 GFADRO CN(Cc1ccc(Br)cc1F)C(=O)c1ccn(CC[NH+](C)C)n1 ZINC000633757778 566121954 /nfs/dbraw/zinc/12/19/54/566121954.db2.gz QUHNQQRFYUZROR-UHFFFAOYSA-N 1 0 383.265 2.619 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)CSc1nncn1-c1cccc(Cl)c1 ZINC000681800080 566125978 /nfs/dbraw/zinc/12/59/78/566125978.db2.gz HMYGQDMAPANAFW-HUUCEWRRSA-N 1 0 379.917 2.612 20 0 GFADRO COCC[N@H+](C)CCCNC(=O)Cc1ccc(Br)c(Cl)c1 ZINC000682457093 566154935 /nfs/dbraw/zinc/15/49/35/566154935.db2.gz UVLVDRRRAVBKPV-UHFFFAOYSA-N 1 0 377.710 2.730 20 0 GFADRO C[C@H](c1ccc(Br)cc1)N1CC[NH+](C[C@@]2(O)CCCOC2)CC1 ZINC000656700046 566155778 /nfs/dbraw/zinc/15/57/78/566155778.db2.gz WYOXJHYEQIYGSW-QAPCUYQASA-N 1 0 383.330 2.669 20 0 GFADRO Cc1cc(Br)cc(C[NH2+]CCC2CS(=O)(=O)C2)c1OC(F)F ZINC000682474565 566155831 /nfs/dbraw/zinc/15/58/31/566155831.db2.gz DBZBFFSNHFNWLP-UHFFFAOYSA-N 1 0 398.269 2.883 20 0 GFADRO C[C@H](c1ccc(Br)cc1)N1CC[NH+](C[C@]2(O)CCCOC2)CC1 ZINC000656700044 566156012 /nfs/dbraw/zinc/15/60/12/566156012.db2.gz WYOXJHYEQIYGSW-CRAIPNDOSA-N 1 0 383.330 2.669 20 0 GFADRO O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)c1cc2cc(Br)sc2[nH]1 ZINC000612389029 566160019 /nfs/dbraw/zinc/16/00/19/566160019.db2.gz ZZDYOHIHEMEJKV-LBPRGKRZSA-N 1 0 398.326 2.975 20 0 GFADRO CC(=O)NCC1CC[NH+](C[C@H](O)COc2cc(Cl)cc(Cl)c2)CC1 ZINC000634643543 566163576 /nfs/dbraw/zinc/16/35/76/566163576.db2.gz DNHDYAVDYNROSZ-INIZCTEOSA-N 1 0 375.296 2.581 20 0 GFADRO C[NH+](C)C1CCC(N2C(=O)N[C@@H](c3ccccc3Br)C2=O)CC1 ZINC000656820806 566167280 /nfs/dbraw/zinc/16/72/80/566167280.db2.gz USJVLGWVFWKUDH-QOZQQMKHSA-N 1 0 380.286 2.915 20 0 GFADRO C[C@@H]([NH2+]CCn1ccc(C(F)(F)F)n1)c1ccc(NS(C)(=O)=O)cc1 ZINC000634687577 566169611 /nfs/dbraw/zinc/16/96/11/566169611.db2.gz QIKGNELTFIRTEW-LLVKDONJSA-N 1 0 376.404 2.624 20 0 GFADRO CC[C@@H](Cc1ccccc1Br)[NH2+]C[C@H](O)CC1(O)CCOCC1 ZINC000634707146 566171444 /nfs/dbraw/zinc/17/14/44/566171444.db2.gz ALVGCHGWZLGQCO-JKSUJKDBSA-N 1 0 386.330 2.652 20 0 GFADRO CC1(C)Cc2c(cccc2Br)[C@H]1[NH2+]C[C@@H](O)CC1(O)CCOCC1 ZINC000634713792 566171709 /nfs/dbraw/zinc/17/17/09/566171709.db2.gz BBDPMTSMTXQXDA-SUMWQHHRSA-N 1 0 398.341 2.955 20 0 GFADRO OC[C@@H](C[NH2+]C[C@@H](O)COc1cc(Cl)cc(Cl)c1)Cc1cccnc1 ZINC000634719890 566172312 /nfs/dbraw/zinc/17/23/12/566172312.db2.gz AXQLUGHKAZFQDZ-RHSMWYFYSA-N 1 0 385.291 2.569 20 0 GFADRO O[C@@H](C[NH2+]CCn1ccc(C(F)(F)F)n1)COCc1ccccc1Cl ZINC000634731407 566172899 /nfs/dbraw/zinc/17/28/99/566172899.db2.gz URWJTMQOZSQJMH-ZDUSSCGKSA-N 1 0 377.794 2.723 20 0 GFADRO O[C@@H](C[NH2+]C[C@H](n1cncn1)C(F)(F)F)COc1c(Cl)cccc1Cl ZINC000634725898 566173020 /nfs/dbraw/zinc/17/30/20/566173020.db2.gz HASMTPFDVSCEOT-CABZTGNLSA-N 1 0 399.200 2.718 20 0 GFADRO OC[C@@H]([NH2+]C[C@@H](O)COCc1cccs1)c1cccc(C(F)(F)F)c1 ZINC000634723689 566173354 /nfs/dbraw/zinc/17/33/54/566173354.db2.gz BCVRVEVBEKMULC-GDBMZVCRSA-N 1 0 375.412 2.968 20 0 GFADRO Cn1ncc(Br)c1C[NH2+]C[C@H](O)COCc1ccccc1Cl ZINC000634726650 566173414 /nfs/dbraw/zinc/17/34/14/566173414.db2.gz XPONVWWVSXYUSB-LBPRGKRZSA-N 1 0 388.693 2.503 20 0 GFADRO O[C@H](C[NH2+]CC/C=C/c1ccc(Br)cc1)CC1(O)CCOCC1 ZINC000634722189 566173523 /nfs/dbraw/zinc/17/35/23/566173523.db2.gz LDTVJWQGUOLNMS-DUXHTMCSSA-N 1 0 384.314 2.735 20 0 GFADRO O[C@H](C[NH2+]CCn1ccc(C(F)(F)F)n1)COCc1ccc(Cl)cc1 ZINC000634731399 566173831 /nfs/dbraw/zinc/17/38/31/566173831.db2.gz UCJRDGUZBZEWCP-CQSZACIVSA-N 1 0 377.794 2.723 20 0 GFADRO CC1(C)C[NH2+]CC[C@@H](NC(=O)c2cc(=O)c3cc(Br)ccc3[nH]2)C1 ZINC000634759271 566174708 /nfs/dbraw/zinc/17/47/08/566174708.db2.gz GBCUYZIUQHVGKI-GFCCVEGCSA-N 1 0 392.297 2.799 20 0 GFADRO Cc1ccc(C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)c(C)c1Br ZINC000682915682 566176895 /nfs/dbraw/zinc/17/68/95/566176895.db2.gz VLXOPARYAVNNJT-HNNXBMFYSA-N 1 0 381.314 2.860 20 0 GFADRO O=S(=O)(NCCCCC[NH+]1CCCCC1)c1ncccc1Br ZINC000656896896 566177663 /nfs/dbraw/zinc/17/76/63/566177663.db2.gz FFQKPSIOLMVPJF-UHFFFAOYSA-N 1 0 390.347 2.779 20 0 GFADRO C[C@@]1(NC(=O)NCc2cc(Br)ccc2Br)CC[NH2+]C1 ZINC000612902097 566179071 /nfs/dbraw/zinc/17/90/71/566179071.db2.gz QBLDQTKUGWKBBQ-CYBMUJFWSA-N 1 0 391.107 2.763 20 0 GFADRO C[C@H](Cc1ccc(F)c(Br)c1)NC(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000612977883 566180329 /nfs/dbraw/zinc/18/03/29/566180329.db2.gz RQDSSTWEIHHIBF-ABAIWWIYSA-N 1 0 384.293 2.961 20 0 GFADRO CC(C)(CO)[NH+]1CCN(C(=O)Cc2c(Cl)cccc2Br)CC1 ZINC000613036050 566183624 /nfs/dbraw/zinc/18/36/24/566183624.db2.gz CZHAZFQFZGGAAH-UHFFFAOYSA-N 1 0 389.721 2.560 20 0 GFADRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)c1cc(Br)cc2[nH]c(=O)[nH]c21 ZINC000613129172 566185920 /nfs/dbraw/zinc/18/59/20/566185920.db2.gz NYIJDELRIUKMEC-SNVBAGLBSA-N 1 0 395.301 2.833 20 0 GFADRO O=S1(=O)CCC[C@H]([NH2+][C@H](CO)c2ccc(Cl)cc2C(F)(F)F)CC1 ZINC000634980096 566187235 /nfs/dbraw/zinc/18/72/35/566187235.db2.gz WLQRRSRRQVVJGA-SMDDNHRTSA-N 1 0 385.835 2.949 20 0 GFADRO C[N@H+]1CC=C(CNC(=O)c2c(F)c(F)c(Br)c(F)c2F)CC1 ZINC000613266329 566191622 /nfs/dbraw/zinc/19/16/22/566191622.db2.gz MZOHSKJBCYRUOI-UHFFFAOYSA-N 1 0 381.167 2.997 20 0 GFADRO CN1C(=O)N([C@H]2CC[N@H+](CC3CC3)C2)C(=O)[C@H]1c1cccc(Br)c1 ZINC000683287434 566192233 /nfs/dbraw/zinc/19/22/33/566192233.db2.gz SGIOJGCUVXDIAP-JKSUJKDBSA-N 1 0 392.297 2.869 20 0 GFADRO C[N@@H+]1CC[C@H](CC(=O)Nc2cc(Br)ccc2N2CCOCC2)C1 ZINC000635122043 566195041 /nfs/dbraw/zinc/19/50/41/566195041.db2.gz HGZCWYHIELXLRX-CYBMUJFWSA-N 1 0 382.302 2.566 20 0 GFADRO O=C(NC[C@H]1CCCC[N@@H+]1C1CC1)N[C@@H](CO)c1ccc(Br)cc1 ZINC000683391857 566197706 /nfs/dbraw/zinc/19/77/06/566197706.db2.gz REEZWYQZFIKQHP-SJORKVTESA-N 1 0 396.329 2.799 20 0 GFADRO Cc1sccc1NC(=O)C(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000635189349 566198026 /nfs/dbraw/zinc/19/80/26/566198026.db2.gz RPGPAXIRRCDVTN-UHFFFAOYSA-N 1 0 377.432 2.870 20 0 GFADRO CC1([NH+]2CCCC2)CCN(C(=O)C(=O)Nc2ccc(Br)cc2)CC1 ZINC000635255270 566201911 /nfs/dbraw/zinc/20/19/11/566201911.db2.gz OWSGTWZNDXUWJL-UHFFFAOYSA-N 1 0 394.313 2.865 20 0 GFADRO C[N@@H+]1CC[C@H](CC(=O)N2CCN(C(=O)c3cccc(Cl)c3Cl)CC2)C1 ZINC000635348233 566207470 /nfs/dbraw/zinc/20/74/70/566207470.db2.gz UZEPJMZVUODFIL-CYBMUJFWSA-N 1 0 384.307 2.620 20 0 GFADRO CC(C)(C[NH+]1CCOCC1)C(=O)Nc1ccc(Sc2nncs2)cc1 ZINC000635378179 566208906 /nfs/dbraw/zinc/20/89/06/566208906.db2.gz ZCOHEUJZZOIDNR-UHFFFAOYSA-N 1 0 378.523 2.986 20 0 GFADRO C[NH+](C)C[C@]1(O)CCCN(C(=O)c2ccc(Br)cc2Cl)C1 ZINC000683912160 566218466 /nfs/dbraw/zinc/21/84/66/566218466.db2.gz JMHOQSKBNSVRKS-OAHLLOKOSA-N 1 0 375.694 2.631 20 0 GFADRO Nc1c(Cl)c(F)cc(C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)c1Cl ZINC000635656526 566221677 /nfs/dbraw/zinc/22/16/77/566221677.db2.gz ZYXHIWCDKAHTIZ-JTQLQIEISA-N 1 0 376.259 2.509 20 0 GFADRO CC[C@@H](CNS(=O)(=O)Cc1csc(C)n1)[N@@H+]1CCc2ccccc2C1 ZINC000684096426 566225968 /nfs/dbraw/zinc/22/59/68/566225968.db2.gz TXOTWISAHUTJEX-SFHVURJKSA-N 1 0 379.551 2.708 20 0 GFADRO CC[NH+](CC)CCN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccnn1C ZINC000657122368 566226632 /nfs/dbraw/zinc/22/66/32/566226632.db2.gz VEZOTTUPBIEYMR-UHFFFAOYSA-N 1 0 384.933 2.606 20 0 GFADRO Brc1ccc(CN2CC[NH+](C[C@@H]3CNc4ccnn4C3)CC2)cc1 ZINC000684197475 566230099 /nfs/dbraw/zinc/23/00/99/566230099.db2.gz WQVNJYMYCWWBAF-INIZCTEOSA-N 1 0 390.329 2.505 20 0 GFADRO O=C(NCCC[NH+]1CCCC1)N1CCOc2c(Br)cccc2C1 ZINC000684250002 566231128 /nfs/dbraw/zinc/23/11/28/566231128.db2.gz GZBHUEGTEHNPMZ-UHFFFAOYSA-N 1 0 382.302 2.839 20 0 GFADRO C[N@H+](Cc1cccc(-c2nn[nH]n2)c1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000736823616 598831834 /nfs/dbraw/zinc/83/18/34/598831834.db2.gz YLPWLYPHOLXDHD-UHFFFAOYSA-N 1 0 376.464 2.603 20 0 GFADRO Cc1cccc([C@H](C)C(=O)N(CC[NH+](C)C)Cc2cccc(-c3nn[nH]n3)c2)c1 ZINC000737385589 598832828 /nfs/dbraw/zinc/83/28/28/598832828.db2.gz UKTVDJCKMKALSK-KRWDZBQOSA-N 1 0 392.507 2.869 20 0 GFADRO CN(C)c1ncc(C[NH2+]Cc2cccc(-c3ccc(-c4nn[nH]n4)s3)c2)cn1 ZINC000736778581 598887635 /nfs/dbraw/zinc/88/76/35/598887635.db2.gz IKXXLRQZJUKIOW-UHFFFAOYSA-N 1 0 392.492 2.741 20 0 GFADRO CC[C@@H]1c2ccccc2CC[N@H+]1C[C@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000736405236 598916944 /nfs/dbraw/zinc/91/69/44/598916944.db2.gz DXPKSWDYZOQTBS-FXAWDEMLSA-N 1 0 379.464 2.616 20 0 GFADRO C[C@H]1C[C@H](C)C[NH+](CCCCNc2c3ccccc3nnc2-c2nn[nH]n2)C1 ZINC000736225752 598959710 /nfs/dbraw/zinc/95/97/10/598959710.db2.gz CZVHDDBXVYIQKD-GJZGRUSLSA-N 1 0 380.500 2.980 20 0 GFADRO C[C@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2F)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000736285977 598988334 /nfs/dbraw/zinc/98/83/34/598988334.db2.gz LJGKVNQQKRWVDN-LRDDRELGSA-N 1 0 390.463 2.741 20 0 GFADRO COc1ccccc1[C@@H]1CC[N@H+](CCOc2ccc(-c3nn[nH]n3)cc2OC)C1 ZINC000737032776 598990569 /nfs/dbraw/zinc/99/05/69/598990569.db2.gz NLJZBKBCYGBSIC-MRXNPFEDSA-N 1 0 395.463 2.752 20 0 GFADRO COc1ccc([C@H]2[C@H](COC(=O)c3cccc(-c4nn[nH]n4)c3)CC[N@@H+]2C)cc1 ZINC000737073754 599028530 /nfs/dbraw/zinc/02/85/30/599028530.db2.gz BOGLVHWOHIZYMP-HKUYNNGSSA-N 1 0 393.447 2.725 20 0 GFADRO C[C@H]1C[C@@H](Nc2c(-c3nn[nH]n3)cnc3c(F)ccc(Cl)c32)CC[N@@H+]1C ZINC000820666804 599036057 /nfs/dbraw/zinc/03/60/57/599036057.db2.gz KEYJBRLVYKRUHV-UWVGGRQHSA-N 1 0 375.839 2.524 20 0 GFADRO FC(F)(F)c1ccc(-c2nn[nH]n2)c(N2CCCC[C@H]([NH+]3CCCC3)C2)n1 ZINC000737634005 599057838 /nfs/dbraw/zinc/05/78/38/599057838.db2.gz XGEBXQLHBRUZPG-LBPRGKRZSA-N 1 0 381.406 2.735 20 0 GFADRO C[N@@H+]1CCC[C@H](CNC(=O)c2sccc2-c2nn[nH]n2)[C@H]1c1cccs1 ZINC000736858215 599085527 /nfs/dbraw/zinc/08/55/27/599085527.db2.gz RMOJCHHDXRBESD-RISCZKNCSA-N 1 0 388.522 2.803 20 0 GFADRO C[C@H]1C[C@@H](NC(=O)c2cccc(Oc3ccc(-c4nn[nH]n4)cc3)c2)CC[N@@H+]1C ZINC000736231700 599106216 /nfs/dbraw/zinc/10/62/16/599106216.db2.gz CDHODHKPTFRMFD-YOEHRIQHSA-N 1 0 392.463 2.872 20 0 GFADRO Cc1cccc2c1ncc(-c1nn[nH]n1)c2NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000737409418 599121174 /nfs/dbraw/zinc/12/11/74/599121174.db2.gz OAUBTGLEVHMQBU-QGZVFWFLSA-N 1 0 389.463 2.987 20 0 GFADRO C[C@@H](c1ccc(-c2nn[nH]n2)cc1)[N@H+](C)C[C@@H]1CN(c2ccccc2)C(=O)O1 ZINC000736194583 599130532 /nfs/dbraw/zinc/13/05/32/599130532.db2.gz BIBURXCIQNZPTE-KBXCAEBGSA-N 1 0 378.436 2.885 20 0 GFADRO O=C1[C@@H]([N@@H+]2CC[C@H](Cc3ccccc3)C2)CCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000738290527 599140011 /nfs/dbraw/zinc/14/00/11/599140011.db2.gz PNACPVQOUWIYFX-XLIONFOSSA-N 1 0 388.475 2.537 20 0 GFADRO C[N@@H+]1CC[C@@H](C(=O)Nc2ccc(Oc3ccccc3-c3nn[nH]n3)c(F)c2)C1 ZINC000821622194 599221063 /nfs/dbraw/zinc/22/10/63/599221063.db2.gz VUOCKNUNRFEZQV-GFCCVEGCSA-N 1 0 382.399 2.688 20 0 GFADRO Cc1c(NC(=O)N[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)cccc1-c1nn[nH]n1 ZINC000822088964 607288138 /nfs/dbraw/zinc/28/81/38/607288138.db2.gz BRQBHHJHFYKHDT-PBHICJAKSA-N 1 0 391.479 2.960 20 0 GFADRO Cc1cc(C)c2ncc(-c3nn[nH]n3)c(NC3CC[NH+](CC(C)C)CC3)c2c1 ZINC000737248656 599264754 /nfs/dbraw/zinc/26/47/54/599264754.db2.gz IYRHINTVTVFELJ-UHFFFAOYSA-N 1 0 379.512 2.986 20 0 GFADRO Cc1cc(N2CCC[C@H]([NH2+]C(C)C)C2)n2c3ccccc3nc2c1-c1nn[nH]n1 ZINC000737272898 598242929 /nfs/dbraw/zinc/24/29/29/598242929.db2.gz VPIZTCOVVXWFOR-HNNXBMFYSA-N 1 0 390.495 2.943 20 0 GFADRO CN(C[C@H]1CC[N@H+](Cc2ccc(F)cc2-c2nn[nH]n2)C1)C(=O)OC(C)(C)C ZINC000736793830 598246995 /nfs/dbraw/zinc/24/69/95/598246995.db2.gz ZZRDNLZKYYEJAA-CYBMUJFWSA-N 1 0 390.463 2.695 20 0 GFADRO C[C@@H](C(=O)Nc1ccccc1-c1nn[nH]n1)[N@@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC000735562173 598251481 /nfs/dbraw/zinc/25/14/81/598251481.db2.gz NZTGVJXJPCCHKX-ZFWWWQNUSA-N 1 0 380.427 2.822 20 0 GFADRO O=C(CC[N@H+]1CC[C@H](c2cccc(F)c2)C1)Nc1ccccc1-c1nn[nH]n1 ZINC000737837431 598253157 /nfs/dbraw/zinc/25/31/57/598253157.db2.gz GTGKRNHFRUMNJT-HNNXBMFYSA-N 1 0 380.427 2.824 20 0 GFADRO C[N@H+](CCC(=O)Nc1sccc1-c1nn[nH]n1)C[C@H]1OCCc2ccccc21 ZINC000736791699 598257811 /nfs/dbraw/zinc/25/78/11/598257811.db2.gz GPFHRPMMTORRSR-MRXNPFEDSA-N 1 0 398.492 2.503 20 0 GFADRO C[C@@H]([NH2+]Cc1ccc(-c2nn[nH]n2)cc1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000736135275 598274909 /nfs/dbraw/zinc/27/49/09/598274909.db2.gz OOMJUBFWLQITPS-OAHLLOKOSA-N 1 0 391.479 2.584 20 0 GFADRO C[C@H]([NH2+]Cc1cccc(-c2nn[nH]n2)c1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000736133220 598275005 /nfs/dbraw/zinc/27/50/05/598275005.db2.gz GFFMIZBYCHOJFE-HNNXBMFYSA-N 1 0 391.479 2.584 20 0 GFADRO CC(C)(C)n1cc(-c2nn[nH]n2)cc1NC(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000735670986 598276332 /nfs/dbraw/zinc/27/63/32/598276332.db2.gz ZEMHMSSOLUPKQT-UHFFFAOYSA-N 1 0 388.520 2.809 20 0 GFADRO C[C@H](CNC(=O)Nc1cc(-c2nn[nH]n2)cn1C(C)(C)C)[N@@H+]1CCC[C@H](C)C1 ZINC000736267903 598278189 /nfs/dbraw/zinc/27/81/89/598278189.db2.gz UWACJHYLTLTNNY-UONOGXRCSA-N 1 0 388.520 2.665 20 0 GFADRO CN(C(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc(-c2nn[nH]n2)cc1F ZINC000736733477 598278684 /nfs/dbraw/zinc/27/86/84/598278684.db2.gz VVDDBBKYVYWVFW-KRWDZBQOSA-N 1 0 394.454 2.881 20 0 GFADRO C[C@@H](CNC(=S)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)C[NH+]1CCCC1 ZINC000736026873 598320208 /nfs/dbraw/zinc/32/02/08/598320208.db2.gz ZTMOKCUQHCBXLA-NSHDSACASA-N 1 0 379.921 2.538 20 0 GFADRO Cc1nn(C)c(Cl)c1[C@H]1CCC[N@@H+]1CCOc1ccccc1-c1nn[nH]n1 ZINC000737510313 598369150 /nfs/dbraw/zinc/36/91/50/598369150.db2.gz CPHFNNIDXCFWTQ-CQSZACIVSA-N 1 0 387.875 2.778 20 0 GFADRO CCC[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)C[C@H](O)CN(C)Cc1ccccc1 ZINC000736482234 598369219 /nfs/dbraw/zinc/36/92/19/598369219.db2.gz YQAKKTIRDIEUCG-OAQYLSRUSA-N 1 0 394.523 2.572 20 0 GFADRO COc1ccc(C)cc1[C@@H](C)[NH2+][C@@H](C)C(=O)Nc1ccccc1-c1nn[nH]n1 ZINC000737077758 598431643 /nfs/dbraw/zinc/43/16/43/598431643.db2.gz XTJRPIRDWQPQKC-KGLIPLIRSA-N 1 0 380.452 2.862 20 0 GFADRO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)c1ccc(-c2nn[nH]n2)cn1 ZINC000736268865 598444337 /nfs/dbraw/zinc/44/43/37/598444337.db2.gz UQKZNQFLPLSYBG-HNNXBMFYSA-N 1 0 391.479 2.566 20 0 GFADRO C[C@@H](C[N@H+](C)[C@H]1CCN(c2ccc(-c3nn[nH]n3)cc2)C1=O)c1ccccc1 ZINC000735999238 598462151 /nfs/dbraw/zinc/46/21/51/598462151.db2.gz CJOIXLQAGHEIPP-KXBFYZLASA-N 1 0 376.464 2.708 20 0 GFADRO CCCO[C@@H]1CCC[N@H+](CCC(=O)Nc2sccc2-c2nn[nH]n2)CC1 ZINC000736487342 598506566 /nfs/dbraw/zinc/50/65/66/598506566.db2.gz FUNNUIWJGIVCRS-CYBMUJFWSA-N 1 0 378.502 2.538 20 0 GFADRO CC(C)N(C)CC[NH2+]Cc1cccc(OCc2ccccc2-c2nn[nH]n2)c1 ZINC000735857286 598561326 /nfs/dbraw/zinc/56/13/26/598561326.db2.gz RXJYISQNKWGIOO-UHFFFAOYSA-N 1 0 380.496 2.876 20 0 GFADRO FC(F)(F)c1cc(NC2CC[NH+](C[C@@H]3CCCO3)CC2)ccc1-c1nn[nH]n1 ZINC000737633247 598575642 /nfs/dbraw/zinc/57/56/42/598575642.db2.gz PLWVRLAHTVVGAY-AWEZNQCLSA-N 1 0 396.417 2.941 20 0 GFADRO CCc1ccc([C@H](CNC(=O)Nc2ccc(F)c(-c3nn[nH]n3)c2)[NH+](C)C)cc1 ZINC000736690275 598624222 /nfs/dbraw/zinc/62/42/22/598624222.db2.gz ZGTBLDWZMBDZRW-SFHVURJKSA-N 1 0 397.458 2.993 20 0 GFADRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)Nc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC000736226844 598628807 /nfs/dbraw/zinc/62/88/07/598628807.db2.gz IHTHRYHAEAZWLF-ZIAGYGMSSA-N 1 0 389.479 2.885 20 0 GFADRO COc1ccc(C[N@@H+]2CCCN(c3ccc(F)cc3-c3nn[nH]n3)CC2)cc1 ZINC000737091589 598632097 /nfs/dbraw/zinc/63/20/97/598632097.db2.gz WOYMOZOKSNVSJD-UHFFFAOYSA-N 1 0 382.443 2.727 20 0 GFADRO O=C(CCCCOc1cccc(-c2nn[nH]n2)c1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000737832259 598687484 /nfs/dbraw/zinc/68/74/84/598687484.db2.gz HTAZMEFPBRUPDH-SFHVURJKSA-N 1 0 398.511 2.503 20 0 GFADRO Cc1cnn(CCCCC[NH+]2CCN(c3cccc(F)c3-c3nn[nH]n3)CC2)c1 ZINC000737448172 598700305 /nfs/dbraw/zinc/70/03/05/598700305.db2.gz MPMLBLJQPKLAMM-UHFFFAOYSA-N 1 0 398.490 2.503 20 0 GFADRO O=C(NCCC[NH+]1CCCC1)c1cccc(Oc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000738066515 598700975 /nfs/dbraw/zinc/70/09/75/598700975.db2.gz PBWCJXPXHIGMJM-UHFFFAOYSA-N 1 0 392.463 2.875 20 0 GFADRO c1cc(C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)cc(COC2CCOCC2)c1 ZINC000738411668 598714417 /nfs/dbraw/zinc/71/44/17/598714417.db2.gz WTXKHKVRQRKVJJ-UHFFFAOYSA-N 1 0 379.464 2.852 20 0 GFADRO C[C@H](CNC(=O)N(C)Cc1cccc(-c2nn[nH]n2)c1)[N@H+](C)Cc1ccccc1 ZINC000736016898 598716111 /nfs/dbraw/zinc/71/61/11/598716111.db2.gz FNQDPQLQXJPUHV-MRXNPFEDSA-N 1 0 393.495 2.529 20 0 GFADRO CC[N@H+](C)Cc1cccc(CNC(=O)Nc2ccc(F)c(-c3nn[nH]n3)c2)c1 ZINC000736510195 598730615 /nfs/dbraw/zinc/73/06/15/598730615.db2.gz RTLZDUKKDSHSRV-UHFFFAOYSA-N 1 0 383.431 2.779 20 0 GFADRO C[C@@H]1c2ccccc2OCC[N@H+]1CCC(=O)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000736303479 598762674 /nfs/dbraw/zinc/76/26/74/598762674.db2.gz JWZCJGLJZSTOPJ-CQSZACIVSA-N 1 0 378.436 2.651 20 0 GFADRO CCCC[N@H+](C)CCNc1c(-c2nn[nH]n2)cnc2ccc(OC(F)F)cc21 ZINC000736452222 598772962 /nfs/dbraw/zinc/77/29/62/598772962.db2.gz CRFOKCSTOCZVSQ-UHFFFAOYSA-N 1 0 391.426 2.582 20 0 GFADRO CC(C)[C@](C)(O)C[NH2+]Cc1cccc(OCc2cccc(-c3nn[nH]n3)c2)c1 ZINC000735696366 598776328 /nfs/dbraw/zinc/77/63/28/598776328.db2.gz YNOWTVPIDBSCHQ-OAQYLSRUSA-N 1 0 381.480 2.942 20 0 GFADRO Cc1cccc(C2([NH2+]C[C@@H](O)COc3ccc(-c4nn[nH]n4)cc3)CCCC2)c1 ZINC000737391072 598811332 /nfs/dbraw/zinc/81/13/32/598811332.db2.gz XQXIOCICFAGPNK-LJQANCHMSA-N 1 0 393.491 2.974 20 0 GFADRO C[C@H](CC[NH+](C)C)NC(=O)c1ccc(OCc2ccccc2-c2nn[nH]n2)cc1 ZINC000735987664 598813152 /nfs/dbraw/zinc/81/31/52/598813152.db2.gz XANSZEIJZZYVLI-OAHLLOKOSA-N 1 0 394.479 2.516 20 0 GFADRO CC[C@@H]([NH2+]CCC(=O)Nc1cccc(-c2nn[nH]n2)c1)c1ccc(OC)cc1 ZINC000820927019 599301985 /nfs/dbraw/zinc/30/19/85/599301985.db2.gz YQFHRXRWJRZZOA-GOSISDBHSA-N 1 0 380.452 2.945 20 0 GFADRO C[C@H]([NH2+]C[C@@H](c1cccs1)N1CCOCC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000736130707 599306378 /nfs/dbraw/zinc/30/63/78/599306378.db2.gz IGJSFZBSROPVNO-YOEHRIQHSA-N 1 0 384.509 2.652 20 0 GFADRO Cc1ccc(NC(=O)C2CC[NH+]([C@@H](C)c3ccc(-c4nn[nH]n4)cc3)CC2)nc1 ZINC000737355949 599312829 /nfs/dbraw/zinc/31/28/29/599312829.db2.gz NGIKJAAPPDQHDT-HNNXBMFYSA-N 1 0 391.479 2.982 20 0 GFADRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2cccc(-c3nn[nH]n3)c2)c(OC)c1 ZINC000821831588 599391813 /nfs/dbraw/zinc/39/18/13/599391813.db2.gz DZGXUFOKTWMGIB-STQMWFEESA-N 1 0 396.451 2.562 20 0 GFADRO COC(=O)COc1c(C)cc(C[NH2+][C@@H](C)c2cccc(-c3nn[nH]n3)c2)cc1C ZINC000821662464 599397549 /nfs/dbraw/zinc/39/75/49/599397549.db2.gz DGJJLLPPOAIJGK-HNNXBMFYSA-N 1 0 395.463 2.886 20 0 GFADRO COc1ccc(C[NH2+]Cc2ccnc(N3CCCCC3)c2)cc1-c1nn[nH]n1 ZINC000821818019 599407645 /nfs/dbraw/zinc/40/76/45/599407645.db2.gz HRMLDVUEIZSQKT-UHFFFAOYSA-N 1 0 379.468 2.550 20 0 GFADRO COc1ccc(C[NH2+]Cc2ccc(N3CCCCC3=O)cc2)cc1-c1nn[nH]n1 ZINC000821818312 599412235 /nfs/dbraw/zinc/41/22/35/599412235.db2.gz OXIGNQYAUGJXNQ-UHFFFAOYSA-N 1 0 392.463 2.682 20 0 GFADRO COc1ccc(C[NH2+]CCOc2ccc(-c3nn[nH]n3)cc2)c(OC(F)F)c1 ZINC000821814253 599452307 /nfs/dbraw/zinc/45/23/07/599452307.db2.gz YTWGZRLWELFABQ-UHFFFAOYSA-N 1 0 391.378 2.645 20 0 GFADRO COc1ccc(C[NH2+][C@H](Cc2nccn2C)c2ccccc2)cc1-c1nn[nH]n1 ZINC000821805619 599463704 /nfs/dbraw/zinc/46/37/04/599463704.db2.gz VNYIXOFCBOMFRK-GOSISDBHSA-N 1 0 389.463 2.682 20 0 GFADRO Fc1ccc(N2CC[NH+](Cc3cccc4cccnc43)CC2)c(-c2nn[nH]n2)c1 ZINC000822778945 599468498 /nfs/dbraw/zinc/46/84/98/599468498.db2.gz PDLUFGBVBAFRTA-UHFFFAOYSA-N 1 0 389.438 2.876 20 0 GFADRO C[C@H]1C[C@@H](c2ccc(F)cc2)C[N@@H+]1CC(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000736238722 599478310 /nfs/dbraw/zinc/47/83/10/599478310.db2.gz ZQPBSLWFNRZEEV-XJKSGUPXSA-N 1 0 380.427 2.822 20 0 GFADRO O[C@@H](COc1ccc(-c2nn[nH]n2)cc1)C[N@@H+]1CCCCC[C@@H]1c1ccco1 ZINC000738384955 599479396 /nfs/dbraw/zinc/47/93/96/599479396.db2.gz GWGHEDCVBTYAOQ-SJLPKXTDSA-N 1 0 383.452 2.817 20 0 GFADRO CC(C)[C@H](CNCc1cnc2ccc(-c3nn[nH]n3)cn12)[NH+]1CCCCCC1 ZINC000735706463 599484518 /nfs/dbraw/zinc/48/45/18/599484518.db2.gz BADRJTLIDPSUNZ-SFHVURJKSA-N 1 0 382.516 2.505 20 0 GFADRO c1nc2ccc(-c3nn[nH]n3)cn2c1C[NH2+]CCOc1ccc2ccccc2c1 ZINC000738442591 599485974 /nfs/dbraw/zinc/48/59/74/599485974.db2.gz PVGYQJZSEICFLI-UHFFFAOYSA-N 1 0 385.431 2.836 20 0 GFADRO c1ccc2c(c1)ncc(-c1nn[nH]n1)c2NC1CC[NH+](CC2CCCC2)CC1 ZINC000823796426 599505285 /nfs/dbraw/zinc/50/52/85/599505285.db2.gz AESSZSIBHYRRCJ-UHFFFAOYSA-N 1 0 377.496 2.903 20 0 GFADRO FC(F)(F)c1cc(-c2nn[nH]n2)ccc1N1CCN(c2cc[nH+]cc2)CC1 ZINC000737626836 599519222 /nfs/dbraw/zinc/51/92/22/599519222.db2.gz MFNOKCRZXATFSC-UHFFFAOYSA-N 1 0 375.358 2.607 20 0 GFADRO FC(F)(F)c1cc(-c2nn[nH]n2)ccc1NCC1([NH+]2CCCC2)CCOCC1 ZINC000737627272 599525106 /nfs/dbraw/zinc/52/51/06/599525106.db2.gz OATWLTSPWIZVIV-UHFFFAOYSA-N 1 0 396.417 2.942 20 0 GFADRO Cc1cc(N2CC[N@@H+](C)C[C@@H]2C(C)C)n2c3ccccc3nc2c1-c1nn[nH]n1 ZINC000737271436 599537335 /nfs/dbraw/zinc/53/73/35/599537335.db2.gz LAYCPXBPZJJDBQ-QGZVFWFLSA-N 1 0 390.495 2.752 20 0 GFADRO Fc1ccc(F)c2c1ncc(-c1nn[nH]n1)c2N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000822775379 599545962 /nfs/dbraw/zinc/54/59/62/599545962.db2.gz WYJMTARDFQTVDL-LBPRGKRZSA-N 1 0 385.422 2.758 20 0 GFADRO CCCO[C@@H]1CCC[N@H+](Cc2nnc(-c3ccc(-c4nn[nH]n4)cc3)o2)CC1 ZINC000821128430 599574122 /nfs/dbraw/zinc/57/41/22/599574122.db2.gz SXCWYHCNWSIMGB-MRXNPFEDSA-N 1 0 383.456 2.698 20 0 GFADRO c1ccc(C[C@@H]2CC[N@@H+](Cc3nnc(-c4cccc(-c5nn[nH]n5)c4)o3)C2)cc1 ZINC000823779389 599579459 /nfs/dbraw/zinc/57/94/59/599579459.db2.gz BUXHNDDIOUWVHM-INIZCTEOSA-N 1 0 387.447 2.981 20 0 GFADRO Cc1nnc(NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)c(-c2nn[nH]n2)c1C ZINC000822515514 599583612 /nfs/dbraw/zinc/58/36/12/599583612.db2.gz NMBZRQSFGFLYMJ-BBRMVZONSA-N 1 0 384.513 2.830 20 0 GFADRO Cc1cc(N[C@@H]2CC[N@H+](C)[C@H](C)C2)n2c3ccccc3nc2c1-c1nn[nH]n1 ZINC000822209624 599591086 /nfs/dbraw/zinc/59/10/86/599591086.db2.gz PVESWOZGMINQBN-ZIAGYGMSSA-N 1 0 376.468 2.871 20 0 GFADRO COc1ccccc1[C@H]1CC[N@@H+]([C@H](C)C(=O)Nc2cccc(-c3nn[nH]n3)c2)C1 ZINC000737145035 599592621 /nfs/dbraw/zinc/59/26/21/599592621.db2.gz APKMRCWDXNZTIJ-ZBFHGGJFSA-N 1 0 392.463 2.692 20 0 GFADRO COCC[N@H+](CCC(=O)Nc1cccc(-c2nn[nH]n2)c1)[C@H](C)c1ccccc1 ZINC000821689054 599636537 /nfs/dbraw/zinc/63/65/37/599636537.db2.gz JEOIOSTULSSZRD-MRXNPFEDSA-N 1 0 394.479 2.905 20 0 GFADRO CC[C@H]1C[N@H+](CCC(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)CCS1 ZINC000820994127 599644004 /nfs/dbraw/zinc/64/40/04/599644004.db2.gz DYRJLHPZADDNNK-LBPRGKRZSA-N 1 0 380.905 2.676 20 0 GFADRO Cc1ccc(CN(CC[NH+](C)C)C(=O)N[C@H](C)c2cccc(-c3nn[nH]n3)c2)o1 ZINC000822237114 599681714 /nfs/dbraw/zinc/68/17/14/599681714.db2.gz FWQJULUYUKZBHP-OAHLLOKOSA-N 1 0 397.483 2.603 20 0 GFADRO CC(C)[NH2+][C@H]1CCCN(C(=O)Nc2ccc(OC(C)C)c(-c3nn[nH]n3)c2)C1 ZINC000820138256 607425212 /nfs/dbraw/zinc/42/52/12/607425212.db2.gz SMOIGQWRLLOBGP-HNNXBMFYSA-N 1 0 387.488 2.648 20 0 GFADRO CC[NH+](CC)CCSCC(=O)Nc1ccc(OC(C)C)c(-c2nn[nH]n2)c1 ZINC000821197185 607447703 /nfs/dbraw/zinc/44/77/03/607447703.db2.gz GXVPJMHZVUYQLR-UHFFFAOYSA-N 1 0 392.529 2.667 20 0 GFADRO S=C(Nc1ccccc1-c1nn[nH]n1)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000823731725 607462684 /nfs/dbraw/zinc/46/26/84/607462684.db2.gz DVPJMWUKWXISHY-CXAGYDPISA-N 1 0 383.525 2.512 20 0 GFADRO COC(=O)[C@@H](C)[C@H]([NH2+]Cc1cc(-c2nn[nH]n2)ccc1OC)c1ccccc1 ZINC000826099089 607469666 /nfs/dbraw/zinc/46/96/66/607469666.db2.gz XZHIHILGJWEOJB-UGSOOPFHSA-N 1 0 381.436 2.515 20 0 GFADRO c1ccc2nc(N3CC[C@H]4[C@H](CCC[N@H+]4C4CC4)C3)c(-c3nn[nH]n3)cc2c1 ZINC000823802597 607472780 /nfs/dbraw/zinc/47/27/80/607472780.db2.gz UIMMGWIUGPMBQZ-BEFAXECRSA-N 1 0 375.480 2.868 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1F ZINC000824892268 607474161 /nfs/dbraw/zinc/47/41/61/607474161.db2.gz GEDZXZQZBWXBOV-IUODEOHRSA-N 1 0 390.463 2.883 20 0 GFADRO C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@@H+]1Cc1ccc(F)cc1-c1nn[nH]n1 ZINC000824892665 607474976 /nfs/dbraw/zinc/47/49/76/607474976.db2.gz LLQOSIGRGPIIMX-SWLSCSKDSA-N 1 0 390.463 2.883 20 0 GFADRO CC(C)(C)OC(=O)NC[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC000819939585 607482949 /nfs/dbraw/zinc/48/29/49/607482949.db2.gz GTQQOIDIZSEDGU-ZBFHGGJFSA-N 1 0 390.463 2.789 20 0 GFADRO CC[C@H]([NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)[C@H](O)c1c(F)cccc1F ZINC000820925131 607485618 /nfs/dbraw/zinc/48/56/18/607485618.db2.gz DTWQELJAFVERIR-RDJZCZTQSA-N 1 0 377.370 2.886 20 0 GFADRO COc1ccc(-c2nn[nH]n2)cc1C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000826183055 607513473 /nfs/dbraw/zinc/51/34/73/607513473.db2.gz CDFNBGYMZVIKFB-KRWDZBQOSA-N 1 0 393.447 2.984 20 0 GFADRO COc1ccc(-c2nn[nH]n2)cc1CN1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000826182920 607522661 /nfs/dbraw/zinc/52/26/61/607522661.db2.gz YGYMKTJUVOESBV-KRWDZBQOSA-N 1 0 384.528 2.819 20 0 GFADRO COc1ccc(C[N@H+](CCCO)Cc2cccc(Cl)c2)cc1-c1nn[nH]n1 ZINC000826193584 607523979 /nfs/dbraw/zinc/52/39/79/607523979.db2.gz IJAQVWMLOMUTPJ-UHFFFAOYSA-N 1 0 387.871 2.913 20 0 GFADRO COC[C@@H]([NH2+]Cc1cccc(OCc2cccc(-c3nn[nH]n3)c2)c1)C1CC1 ZINC000826150675 607539256 /nfs/dbraw/zinc/53/92/56/607539256.db2.gz JMKDLXGOUDVUHU-HXUWFJFHSA-N 1 0 379.464 2.960 20 0 GFADRO C[C@@H](C(=O)N1CCC(C(=O)[O-])CC1)[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000828258996 602054517 /nfs/dbraw/zinc/05/45/17/602054517.db2.gz VTOACNZCOFRSRO-MSOLQXFVSA-N 1 0 393.572 2.675 20 0 GFADRO O=C(Nc1cccc(-c2nn[nH]n2)c1)C1CC[NH+](C[C@@H]2CC2(Cl)Cl)CC1 ZINC000826456329 607657730 /nfs/dbraw/zinc/65/77/30/607657730.db2.gz YZXSVYZYWOOOAT-ZDUSSCGKSA-N 1 0 395.294 2.711 20 0 GFADRO Cc1cc(-c2nn[nH]n2)ccc1C(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000826246717 607658176 /nfs/dbraw/zinc/65/81/76/607658176.db2.gz JZHWGPDPDUEADY-LJQANCHMSA-N 1 0 376.464 2.742 20 0 GFADRO CCc1cccc(CC(=O)N(CC[NH+](C)C)Cc2cccc(-c3nn[nH]n3)c2)c1 ZINC000825722687 607710426 /nfs/dbraw/zinc/71/04/26/607710426.db2.gz JNWWOMOMTDSRFQ-UHFFFAOYSA-N 1 0 392.507 2.562 20 0 GFADRO CC(C)(C)OC(=O)N1CCCC[C@H]1C[NH2+]C1CC[NH+](CCCC(=O)[O-])CC1 ZINC000833438534 605221569 /nfs/dbraw/zinc/22/15/69/605221569.db2.gz DMBJBWXYUSFRGR-KRWDZBQOSA-N 1 0 383.533 2.695 20 0 GFADRO c1ccc(C[N@@H+]2CCC[C@@]3(CCN(c4ccc(-c5nn[nH]n5)nc4)C3)C2)cc1 ZINC000823780323 606099413 /nfs/dbraw/zinc/09/94/13/606099413.db2.gz QOCSULIDDWBDEC-OAQYLSRUSA-N 1 0 375.480 2.754 20 0 GFADRO CC[C@@H]1c2ccsc2CC[N@H+]1C[C@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000821000375 606130517 /nfs/dbraw/zinc/13/05/17/606130517.db2.gz DJYISTNONULLKL-WMLDXEAASA-N 1 0 385.493 2.677 20 0 GFADRO c1ccc(C[N@@H+]2CCC[C@]3(CCN(c4cccc(-c5nn[nH]n5)n4)C3)C2)cc1 ZINC000823779686 606141927 /nfs/dbraw/zinc/14/19/27/606141927.db2.gz GYWYTSOUYXAURB-NRFANRHFSA-N 1 0 375.480 2.754 20 0 GFADRO C[C@H]([NH2+]CCC(=O)Nc1sc2c(c1-c1nn[nH]n1)CCCC2)c1ccccn1 ZINC000820420232 606149248 /nfs/dbraw/zinc/14/92/48/606149248.db2.gz NSKWSHFSRGVOPH-LBPRGKRZSA-N 1 0 397.508 2.881 20 0 GFADRO O=C(OC[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc(-c2nn[nH]n2)s1 ZINC000823396441 606179588 /nfs/dbraw/zinc/17/95/88/606179588.db2.gz JMXDFARTVFZIDF-HNNXBMFYSA-N 1 0 383.477 2.997 20 0 GFADRO C[C@H]1C[C@@H](NC(=O)Cc2ccc(-c3nn[nH]n3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000820657995 606187142 /nfs/dbraw/zinc/18/71/42/606187142.db2.gz NXIRYKBPTKVSRM-JXFKEZNVSA-N 1 0 390.491 2.579 20 0 GFADRO C[NH+](C)CCCNC(=O)c1ccc(Sc2ccccc2-c2nn[nH]n2)cc1 ZINC000821584757 606312761 /nfs/dbraw/zinc/31/27/61/606312761.db2.gz RFENMNCTVVHKFI-UHFFFAOYSA-N 1 0 382.493 2.699 20 0 GFADRO COC(=O)[C@H](c1cccc(-c2nn[nH]n2)c1)[N@@H+]1C[C@@H](c2ccccc2)C[C@@H]1C ZINC000821649717 606322254 /nfs/dbraw/zinc/32/22/54/606322254.db2.gz BUAQMICPOUJAHE-JVPBZIDWSA-N 1 0 377.448 2.959 20 0 GFADRO CCOc1ccc(-c2nn[nH]n2)cc1NC(=O)N1C[C@@H]2CCCC[N@@H+]2C[C@H]1CC ZINC000821407703 606344228 /nfs/dbraw/zinc/34/42/28/606344228.db2.gz VMUZFXRJEDMDHH-CVEARBPZSA-N 1 0 399.499 2.746 20 0 GFADRO O=C(C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)Nc1cc(Cl)ccc1Cl ZINC000823005538 606406263 /nfs/dbraw/zinc/40/62/63/606406263.db2.gz VPVJSIIDVAJMPF-UHFFFAOYSA-N 1 0 383.264 2.963 20 0 GFADRO COCCOc1ccc([C@H](C)[NH2+]Cc2ccc(-c3nn[nH]n3)s2)cc1OC ZINC000821693786 606409230 /nfs/dbraw/zinc/40/92/30/606409230.db2.gz NOGQHEMCLHIYEG-LBPRGKRZSA-N 1 0 389.481 2.813 20 0 GFADRO COc1ccc(C2(C[NH2+]Cc3ccc(-c4nn[nH]n4)s3)CCOCC2)cc1 ZINC000821782264 606413178 /nfs/dbraw/zinc/41/31/78/606413178.db2.gz CIBINDNZRLUGIX-UHFFFAOYSA-N 1 0 385.493 2.775 20 0 GFADRO Fc1ccc(N2CC[C@H](C[NH2+]Cc3ccc(-c4nn[nH]n4)s3)C2)cc1F ZINC000822778749 606413461 /nfs/dbraw/zinc/41/34/61/606413461.db2.gz NTFDPUNCSPZLQM-LLVKDONJSA-N 1 0 376.436 2.823 20 0 GFADRO FC(F)Oc1ccccc1N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC000822737243 606420479 /nfs/dbraw/zinc/42/04/79/606420479.db2.gz RQMPCCYPEKAULQ-LLVKDONJSA-N 1 0 392.435 2.898 20 0 GFADRO C[NH+](C)Cc1ccc(NC(=O)CSc2ccc(-c3nn[nH]n3)cc2)cc1F ZINC000821588211 606436941 /nfs/dbraw/zinc/43/69/41/606436941.db2.gz HHIYBWHWXCXLST-UHFFFAOYSA-N 1 0 386.456 2.798 20 0 GFADRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@H+]2CCC[C@H]2C)c1-c1nn[nH]n1 ZINC000822016383 606505378 /nfs/dbraw/zinc/50/53/78/606505378.db2.gz ZKVYPEJHMUNIQJ-CYBMUJFWSA-N 1 0 397.483 2.739 20 0 GFADRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)c1cc(-c2nn[nH]n2)cs1 ZINC000820758988 606515923 /nfs/dbraw/zinc/51/59/23/606515923.db2.gz GMASVQODXVIAEG-CQSZACIVSA-N 1 0 382.493 2.665 20 0 GFADRO O=C(CC[N@@H+](CCC(F)(F)F)CC1CC1)Nc1cccc(-c2nn[nH]n2)c1 ZINC000822964601 606526503 /nfs/dbraw/zinc/52/65/03/606526503.db2.gz LJNHDGODUXSUPN-UHFFFAOYSA-N 1 0 382.390 2.860 20 0 GFADRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccc(-c2nn[nH]n2)s1 ZINC000821197879 606578856 /nfs/dbraw/zinc/57/88/56/606578856.db2.gz MYCCHJLJUIPSTG-INIZCTEOSA-N 1 0 396.520 2.912 20 0 GFADRO CC[C@@H](C[NH2+]Cc1cnc2ccc(-c3nn[nH]n3)cn12)Oc1ccccc1C ZINC000820907782 606619869 /nfs/dbraw/zinc/61/98/69/606619869.db2.gz HBSPUXLHNFKWDP-KRWDZBQOSA-N 1 0 377.452 2.770 20 0 GFADRO CCO[C@@H]1C[C@@H]([NH2+][C@H]2CCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)C1(CC)CC ZINC000821358493 606621617 /nfs/dbraw/zinc/62/16/17/606621617.db2.gz JFQFCYNHFBFGBE-RCCFBDPRSA-N 1 0 398.511 2.545 20 0 GFADRO O=C(NCCCCC[NH+]1CCCCC1)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000823187099 606679465 /nfs/dbraw/zinc/67/94/65/606679465.db2.gz AYLWMFFCHQWFOY-UHFFFAOYSA-N 1 0 378.427 2.531 20 0 GFADRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)cc1F ZINC000822229615 606716417 /nfs/dbraw/zinc/71/64/17/606716417.db2.gz YAUWUHUXGJDZIK-FZKQIMNGSA-N 1 0 380.427 2.770 20 0 GFADRO C[C@H](C(=O)Nc1cccc(-c2nn[nH]n2)c1)[N@@H+]1CC[C@](C)(c2ccccc2)C1 ZINC000819866564 606717074 /nfs/dbraw/zinc/71/70/74/606717074.db2.gz NYZBIFCAJIFDRD-VFNWGFHPSA-N 1 0 376.464 2.857 20 0 GFADRO CSCc1cc(F)ccc1C[NH2+]Cc1cnc2ccc(-c3nn[nH]n3)cn12 ZINC000821969461 606728300 /nfs/dbraw/zinc/72/83/00/606728300.db2.gz ASCWXDGNUPINHW-UHFFFAOYSA-N 1 0 383.456 2.806 20 0 GFADRO COC(=O)[C@@H](C)[C@@H]([NH2+]CCCOc1ccc(-c2nn[nH]n2)cc1)c1ccccc1 ZINC000821639033 606770585 /nfs/dbraw/zinc/77/05/85/606770585.db2.gz NONOTBSXFCFDAD-HNAYVOBHSA-N 1 0 395.463 2.776 20 0 GFADRO OCCCOC1CC[NH+](Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)CC1 ZINC000823722098 606776541 /nfs/dbraw/zinc/77/65/41/606776541.db2.gz KZUUPLDOAKAIPB-UHFFFAOYSA-N 1 0 393.491 2.897 20 0 GFADRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)C1 ZINC000820093032 606832477 /nfs/dbraw/zinc/83/24/77/606832477.db2.gz RSAHRKRZZRWGBW-LBPRGKRZSA-N 1 0 377.880 2.620 20 0 GFADRO O[C@H](C[NH2+]Cc1cc(F)cc(Br)c1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823680761 606856316 /nfs/dbraw/zinc/85/63/16/606856316.db2.gz AJYODHMFZHUFCG-OAHLLOKOSA-N 1 0 392.232 2.592 20 0 GFADRO O[C@@H](C[NH2+]Cc1cc(F)cc(Br)c1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823680758 606856586 /nfs/dbraw/zinc/85/65/86/606856586.db2.gz AJYODHMFZHUFCG-HNNXBMFYSA-N 1 0 392.232 2.592 20 0 GFADRO CCc1csc([C@@H]2CCC[N@H+](C[C@@H](O)c3ccc(-c4nn[nH]n4)cc3)C2)n1 ZINC000821499724 606859218 /nfs/dbraw/zinc/85/92/18/606859218.db2.gz PMSCNPWCBAVNEF-NVXWUHKLSA-N 1 0 384.509 2.799 20 0 GFADRO c1ccc(N2C[C@H]3C[NH+](CCCOc4cccc(-c5nn[nH]n5)c4)C[C@@H]3C2)cc1 ZINC000823787269 606888255 /nfs/dbraw/zinc/88/82/55/606888255.db2.gz JVZGMJVUFUOFQM-RTBURBONSA-N 1 0 390.491 2.704 20 0 GFADRO CC[N@H+](CCCOc1cccc(-c2nn[nH]n2)c1)C[C@@H](O)c1ccc(C)cc1 ZINC000821214066 606905827 /nfs/dbraw/zinc/90/58/27/606905827.db2.gz GVQIDJUZGFPJRW-HXUWFJFHSA-N 1 0 381.480 3.000 20 0 GFADRO CN(c1ccccc1)C1CC[NH+](C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000821619238 606909731 /nfs/dbraw/zinc/90/97/31/606909731.db2.gz OUNSKCCFHIWTLX-FQEVSTJZSA-N 1 0 378.480 2.501 20 0 GFADRO CCc1nc2c(s1)[C@@H]([N@H+](C)C[C@@H](O)c1ccc(-c3nn[nH]n3)cc1)CCC2 ZINC000821510126 606933459 /nfs/dbraw/zinc/93/34/59/606933459.db2.gz XHTGJKODDSTMSG-JKSUJKDBSA-N 1 0 384.509 2.928 20 0 GFADRO OC[C@H]([NH2+]Cc1ccc(-c2nn[nH]n2)s1)c1cccc(Br)c1 ZINC000823707265 607010112 /nfs/dbraw/zinc/01/01/12/607010112.db2.gz YDQNJDXFFQNKQR-LBPRGKRZSA-N 1 0 380.271 2.514 20 0 GFADRO COC[C@@H](Cc1ccccc1)[NH2+]CCSCc1ccccc1-c1nn[nH]n1 ZINC000821682363 607019221 /nfs/dbraw/zinc/01/92/21/607019221.db2.gz CTVLRHZTRRJXAX-GOSISDBHSA-N 1 0 383.521 2.947 20 0 GFADRO CCc1nc(C)c([C@H](C)[NH2+]C2CCN(c3ccc(-c4nn[nH]n4)cn3)CC2)s1 ZINC000821504966 607047097 /nfs/dbraw/zinc/04/70/97/607047097.db2.gz MMBCJOBXHOVLEG-LBPRGKRZSA-N 1 0 398.540 2.909 20 0 GFADRO C[C@H]([NH2+]C1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1)c1ccc2c(c1)COC2 ZINC000820410751 607047679 /nfs/dbraw/zinc/04/76/79/607047679.db2.gz GKWFXUBHNTWCBU-AWEZNQCLSA-N 1 0 391.479 2.612 20 0 GFADRO Clc1ccc2c(c1)C[C@@H]([NH2+]C1CCN(c3ccc(-c4nn[nH]n4)cn3)CC1)C2 ZINC000822582170 607048837 /nfs/dbraw/zinc/04/88/37/607048837.db2.gz RWPCRMTXHSQTPM-SFHVURJKSA-N 1 0 395.898 2.641 20 0 GFADRO C[N@H+](Cc1cc(F)ccc1-c1nn[nH]n1)[C@H]1CCCN(c2ccccc2)C1=O ZINC000821607670 607066000 /nfs/dbraw/zinc/06/60/00/607066000.db2.gz YVKSJIYBXGKBBY-SFHVURJKSA-N 1 0 380.427 2.633 20 0 GFADRO CCN(C[C@@H]1CC[N@H+](Cc2cc(F)ccc2-c2nn[nH]n2)C1)CC(F)(F)F ZINC000821198297 607071748 /nfs/dbraw/zinc/07/17/48/607071748.db2.gz RAVLCOPRVGSKGT-LBPRGKRZSA-N 1 0 386.397 2.712 20 0 GFADRO C[NH+](C)CCN(Cc1ccccc1F)c1ncc(-c2nn[nH]n2)cc1Cl ZINC000821586045 607114065 /nfs/dbraw/zinc/11/40/65/607114065.db2.gz HBHHQLOHUQDQDY-UHFFFAOYSA-N 1 0 375.839 2.622 20 0 GFADRO C[NH+](C)CCN(Cc1ccc(F)c(F)c1)c1ccc(Cl)c(-c2nn[nH]n2)n1 ZINC000821586076 607114154 /nfs/dbraw/zinc/11/41/54/607114154.db2.gz IPRPOQWZYQGWGQ-UHFFFAOYSA-N 1 0 393.829 2.762 20 0 GFADRO Cc1cc(Oc2ncccc2-c2nn[nH]n2)ccc1NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC000737281404 607155105 /nfs/dbraw/zinc/15/51/05/607155105.db2.gz XOPWFPAFQUOBLT-QGZVFWFLSA-N 1 0 395.467 2.887 20 0 GFADRO Cc1cccc2c1ncnc2N(CC[NH+](C)C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000822332778 607174637 /nfs/dbraw/zinc/17/46/37/607174637.db2.gz SRMDCGKBPNXKRG-UHFFFAOYSA-N 1 0 388.479 2.687 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(-c3nn[nH]n3)cc2Cl)C[C@H]1C ZINC000821253976 607203446 /nfs/dbraw/zinc/20/34/46/607203446.db2.gz JXDBYTGQIAZLRR-DGCLKSJQSA-N 1 0 377.880 2.857 20 0 GFADRO O=C(Nc1ccc(-c2nn[nH]n2)cc1Cl)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000823314180 607204745 /nfs/dbraw/zinc/20/47/45/607204745.db2.gz NNIJOGQESMXQBK-ZDUSSCGKSA-N 1 0 375.864 2.612 20 0 GFADRO Fc1ccc(F)c2c1CC[C@H]2[NH2+]C1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1 ZINC000826375370 607813248 /nfs/dbraw/zinc/81/32/48/607813248.db2.gz KVLLQRNQWLVNSX-QGZVFWFLSA-N 1 0 397.433 2.786 20 0 GFADRO CCC[C@H]([NH2+]CCS(=O)(=O)c1cccc(-c2nn[nH]n2)c1)c1ccccc1 ZINC000825242640 607814552 /nfs/dbraw/zinc/81/45/52/607814552.db2.gz XHDSOAJAZCGSDM-SFHVURJKSA-N 1 0 385.493 2.771 20 0 GFADRO CC[C@H](C)[C@@H](C)[N@H+](CCS(=O)(=O)c1cccc(-c2nn[nH]n2)c1)C1CC1 ZINC000825059633 607828016 /nfs/dbraw/zinc/82/80/16/607828016.db2.gz HZRNPSRMNZDGDL-UONOGXRCSA-N 1 0 377.514 2.539 20 0 GFADRO c1cc(Nc2cccc(-c3nn[nH]n3)n2)cc(N2CC[NH+](CC3CC3)CC2)c1 ZINC000826517649 607897672 /nfs/dbraw/zinc/89/76/72/607897672.db2.gz KJDFOFJXMDKFIQ-UHFFFAOYSA-N 1 0 376.468 2.537 20 0 GFADRO COC(=O)C(C)(C)[C@H]([NH2+]Cc1ccc(OC)c(-c2nn[nH]n2)c1)c1ccccc1 ZINC000826098742 607985384 /nfs/dbraw/zinc/98/53/84/607985384.db2.gz NIXHQDUQCVGRDB-GOSISDBHSA-N 1 0 395.463 2.905 20 0 GFADRO C[C@@H]1C[NH+](CCCNc2ccc(-c3nn[nH]n3)cc2Br)C[C@@H](C)O1 ZINC000824983946 607988329 /nfs/dbraw/zinc/98/83/29/607988329.db2.gz DMQWJOYHKDYUSW-VXGBXAGGSA-N 1 0 395.305 2.540 20 0 GFADRO COc1ccc(C[NH2+]C[C@H](C)c2nc(-c3ccccc3)no2)cc1-c1nn[nH]n1 ZINC000826202835 608027365 /nfs/dbraw/zinc/02/73/65/608027365.db2.gz PDPVXDVWBHACHA-ZDUSSCGKSA-N 1 0 391.435 2.819 20 0 GFADRO COc1ccc([C@](C)(O)[C@@H]2CCC[N@@H+]2Cc2cccc(-c3nn[nH]n3)c2)cc1 ZINC000826188382 608064637 /nfs/dbraw/zinc/06/46/37/608064637.db2.gz VSUMWPOIYFIPJF-FPOVZHCZSA-N 1 0 379.464 2.747 20 0 GFADRO C[N@@H+](Cc1ccc(Cl)c(F)c1)C[C@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000825965680 608105796 /nfs/dbraw/zinc/10/57/96/608105796.db2.gz BXHWTHJMEZCYBP-AWEZNQCLSA-N 1 0 391.834 2.531 20 0 GFADRO Cc1cccc([C@@H]2CC[N@@H+]([C@H](C)C(=O)Nc3cccc(-c4nn[nH]n4)c3)C2)c1 ZINC000826297427 608127653 /nfs/dbraw/zinc/12/76/53/608127653.db2.gz HNMUQLYBRKKKEL-CRAIPNDOSA-N 1 0 376.464 2.992 20 0 GFADRO Cc1cc(C)cc([C@H]2CC[N@H+](CC(=O)NCc3cccc(-c4nn[nH]n4)c3)C2)c1 ZINC000826264064 608128347 /nfs/dbraw/zinc/12/83/47/608128347.db2.gz ARNOAABJLSHKBN-IBGZPJMESA-N 1 0 390.491 2.589 20 0 GFADRO C[C@@H]([NH2+]C[C@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824576445 608132186 /nfs/dbraw/zinc/13/21/86/608132186.db2.gz AMCFHXBYYJFHES-CHWSQXEVSA-N 1 0 390.463 2.913 20 0 GFADRO CC[N@H+](Cc1ccc(OC)cc1)[C@@H](C)C(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000825435277 608153211 /nfs/dbraw/zinc/15/32/11/608153211.db2.gz RUVHWNQVNLZHPP-AWEZNQCLSA-N 1 0 380.452 2.724 20 0 GFADRO CC[N@H+](CCc1ccccc1)[C@H]1CCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000825424286 608153469 /nfs/dbraw/zinc/15/34/69/608153469.db2.gz DYEALCQCMKLARX-IBGZPJMESA-N 1 0 376.464 2.537 20 0 GFADRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)c1sccc1-c1nn[nH]n1 ZINC000825918904 608163391 /nfs/dbraw/zinc/16/33/91/608163391.db2.gz OHCNIWBTRKSZKJ-UHFFFAOYSA-N 1 0 397.508 2.702 20 0 GFADRO CC1CC[NH+](C[C@@H]2CCCN(c3snc(Cl)c3-c3nn[nH]n3)C2)CC1 ZINC000824957290 608180211 /nfs/dbraw/zinc/18/02/11/608180211.db2.gz WZMTUMKVVBYTCE-LBPRGKRZSA-N 1 0 381.937 2.925 20 0 GFADRO CN(c1snc(Cl)c1-c1nn[nH]n1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000826010460 608190277 /nfs/dbraw/zinc/19/02/77/608190277.db2.gz JYTAXWXIGPMBNN-GFCCVEGCSA-N 1 0 375.889 2.687 20 0 GFADRO C[C@@H]1[C@H](C)N(C(=O)c2cccc(Oc3ccc(-c4nn[nH]n4)cc3)c2)CC[N@H+]1C ZINC000824859263 608201997 /nfs/dbraw/zinc/20/19/97/608201997.db2.gz OYLBLUNUPMPJEN-CABCVRRESA-N 1 0 392.463 2.824 20 0 GFADRO O=C(CC[NH+]1CCC(Cc2cccnc2)CC1)Nc1ccccc1-c1nn[nH]n1 ZINC000826407704 608209651 /nfs/dbraw/zinc/20/96/51/608209651.db2.gz XGTZAFTXKSOZNK-UHFFFAOYSA-N 1 0 391.479 2.545 20 0 GFADRO c1cncc(CC2CC[NH+](CCCOc3ccc(-c4nn[nH]n4)cc3)CC2)c1 ZINC000826525417 608210164 /nfs/dbraw/zinc/21/01/64/608210164.db2.gz JKOAZKYSJQVPFK-UHFFFAOYSA-N 1 0 378.480 2.985 20 0 GFADRO CN1CCO[C@H]([C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)c2ccc(Cl)cc2)C1 ZINC000826044880 608242957 /nfs/dbraw/zinc/24/29/57/608242957.db2.gz LPWIYGGQJIPYJP-RBUKOAKNSA-N 1 0 398.898 2.682 20 0 GFADRO COC(=O)C(C)(C)[C@H]1CCC[N@H+](Cc2cn3ccccc3c2-c2nn[nH]n2)C1 ZINC000826099010 608265948 /nfs/dbraw/zinc/26/59/48/608265948.db2.gz VSSZOKBALHNAPM-HNNXBMFYSA-N 1 0 382.468 2.531 20 0 GFADRO C[C@H](C[C@H](C)NC(=O)OC(C)(C)C)[NH2+]CCOc1ccc(-c2nn[nH]n2)cc1 ZINC000824390525 608279486 /nfs/dbraw/zinc/27/94/86/608279486.db2.gz AUWRKKUSQZJAQJ-KGLIPLIRSA-N 1 0 390.488 2.527 20 0 GFADRO C[C@H](C[C@H](C)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)OC(C)(C)C ZINC000824393605 608283355 /nfs/dbraw/zinc/28/33/55/608283355.db2.gz UCHDNIKWKONLFI-NWDGAFQWSA-N 1 0 378.452 2.787 20 0 GFADRO COCCOc1ccc([C@H](C)[NH2+]Cc2ccc(OC)c(-c3nn[nH]n3)c2)cc1 ZINC000826162755 608286002 /nfs/dbraw/zinc/28/60/02/608286002.db2.gz QWFLHBUOQMFEJY-AWEZNQCLSA-N 1 0 383.452 2.751 20 0 GFADRO C[C@H]([NH2+]Cc1cnc2ccc(-c3nn[nH]n3)cn12)[C@H]1Oc2ccccc2[C@@H]1C ZINC000824627256 608307657 /nfs/dbraw/zinc/30/76/57/608307657.db2.gz VMHHJRKHBNMSMG-JMERFSKESA-N 1 0 375.436 2.557 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)Cc2c(-c3nn[nH]n3)c(C)nn2-c2ccccc2)[C@H](C)C1 ZINC000825451844 608316242 /nfs/dbraw/zinc/31/62/42/608316242.db2.gz LFEFOSQCKIMOLP-QAPCUYQASA-N 1 0 394.527 2.523 20 0 GFADRO c1cc(-c2nn[nH]n2)cc(-c2nnc(C[N@H+]3CCC[C@H](C[C@H]4CCOC4)C3)o2)c1 ZINC000826512890 608326635 /nfs/dbraw/zinc/32/66/35/608326635.db2.gz SMYMRZSBLOWIHY-HUUCEWRRSA-N 1 0 395.467 2.555 20 0 GFADRO CC(C)[C@H](C(=O)NCc1ccc(-c2ccccc2-c2nn[nH]n2)cc1)[NH+](C)C ZINC000824184048 608329405 /nfs/dbraw/zinc/32/94/05/608329405.db2.gz CVRZKXLHIOHGQD-LJQANCHMSA-N 1 0 378.480 2.736 20 0 GFADRO COc1cc(-c2nn[nH]n2)ccc1CN1CC[NH+](Cc2ccccc2C)CC1 ZINC000826169339 608353062 /nfs/dbraw/zinc/35/30/62/608353062.db2.gz PRHIUHOMJSNSDG-UHFFFAOYSA-N 1 0 378.480 2.502 20 0 GFADRO COc1cc(-c2nn[nH]n2)ccc1CN1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000826169504 608353736 /nfs/dbraw/zinc/35/37/36/608353736.db2.gz VEKRDNTVZDTDPG-UHFFFAOYSA-N 1 0 378.480 2.502 20 0 GFADRO COc1cc(-c2nn[nH]n2)ccc1C[N@H+](C)[C@@H]1CCCN(c2ccccc2)C1 ZINC000826167653 608367117 /nfs/dbraw/zinc/36/71/17/608367117.db2.gz MCBBNOSAENHQKF-LJQANCHMSA-N 1 0 378.480 2.976 20 0 GFADRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[NH+](C(C)C)C(C)C)c1-c1nn[nH]n1 ZINC000826233385 608382958 /nfs/dbraw/zinc/38/29/58/608382958.db2.gz FMLKIJRZPLVSCV-UHFFFAOYSA-N 1 0 399.499 2.984 20 0 GFADRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNc2ccc(-c3nn[nH]n3)nn2)C1 ZINC000824875051 608399308 /nfs/dbraw/zinc/39/93/08/608399308.db2.gz HUPUSXACWSQWTP-HUUCEWRRSA-N 1 0 378.484 2.747 20 0 GFADRO CC(C)(C)OC(=O)C[C@H]1CCC[N@H+](Cc2cccc(-c3nn[nH]n3)c2F)C1 ZINC000824100773 608400531 /nfs/dbraw/zinc/40/05/31/608400531.db2.gz XEMLPPKXYRQSNK-CYBMUJFWSA-N 1 0 375.448 2.950 20 0 GFADRO c1ccc(-c2nn[nH]n2)c(COc2cccc(C[NH2+]CCc3cnccn3)c2)c1 ZINC000826516756 608429766 /nfs/dbraw/zinc/42/97/66/608429766.db2.gz ZVTWIMLFJCLCJP-UHFFFAOYSA-N 1 0 387.447 2.568 20 0 GFADRO c1ccc2c(c1)-c1ccccc1C2[NH+]1CCN(c2ccc(-c3nn[nH]n3)nn2)CC1 ZINC000826523809 608437951 /nfs/dbraw/zinc/43/79/51/608437951.db2.gz YNYLITLXFGUQTE-UHFFFAOYSA-N 1 0 396.458 2.549 20 0 GFADRO CCOc1ccccc1[C@@H](CC)[NH2+]CC(=O)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000825654120 608458157 /nfs/dbraw/zinc/45/81/57/608458157.db2.gz OUBBKDCCYDOUEL-QGZVFWFLSA-N 1 0 380.452 2.945 20 0 GFADRO Cc1ccc(S(=O)(=O)CCC[NH2+][C@@H](C)c2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000826292786 608463329 /nfs/dbraw/zinc/46/33/29/608463329.db2.gz LXPNVIWSPQAZFA-HNNXBMFYSA-N 1 0 385.493 2.690 20 0 GFADRO CC[C@H]([NH2+][C@@H](C)c1ccc(-c2nn[nH]n2)cc1)C(=O)Nc1ccc(OC)cc1 ZINC000825139988 608464077 /nfs/dbraw/zinc/46/40/77/608464077.db2.gz IETQRGTWPURVRG-UGSOOPFHSA-N 1 0 380.452 2.943 20 0 GFADRO CCCOc1ccc(CNC(=O)C[NH2+][C@@H](C)c2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000825338583 608464160 /nfs/dbraw/zinc/46/41/60/608464160.db2.gz DVXDQSNBZDSRIP-HNNXBMFYSA-N 1 0 394.479 2.623 20 0 GFADRO CC(=O)c1ccccc1NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000824029099 608468699 /nfs/dbraw/zinc/46/86/99/608468699.db2.gz CTKQOHUTYQDTIT-STQMWFEESA-N 1 0 378.436 2.747 20 0 GFADRO C[C@H]([NH2+]Cc1ccc(F)cc1-c1nn[nH]n1)c1cccc(N2CCOC2=O)c1 ZINC000824618674 608474255 /nfs/dbraw/zinc/47/42/55/608474255.db2.gz QWDFEILJKLQOHM-LBPRGKRZSA-N 1 0 382.399 2.813 20 0 GFADRO C[C@@H]([NH2+]CCOc1cccc(-c2nn[nH]n2)c1)c1ccc(N2CCCC2=O)cc1 ZINC000824599875 608476040 /nfs/dbraw/zinc/47/60/40/608476040.db2.gz UBHGTTWCMKWXIR-OAHLLOKOSA-N 1 0 392.463 2.723 20 0 GFADRO C[C@H]([NH2+]CCS(=O)(=O)c1ccc(Cl)cc1)c1cccc(-c2nn[nH]n2)c1 ZINC000824599436 608480853 /nfs/dbraw/zinc/48/08/53/608480853.db2.gz ORRXTZMJQBVECF-LBPRGKRZSA-N 1 0 391.884 2.645 20 0 GFADRO C[C@@H]([NH2+]C[C@@H](O)COCc1ccccc1Cl)c1cccc(-c2nn[nH]n2)c1 ZINC000824568848 608490634 /nfs/dbraw/zinc/49/06/34/608490634.db2.gz DQNAFTOEYDQZLI-CXAGYDPISA-N 1 0 387.871 2.748 20 0 GFADRO COc1ccc(CN2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)s3)CC2)cc1 ZINC000826194741 608496026 /nfs/dbraw/zinc/49/60/26/608496026.db2.gz VCUABDWDLNTCML-UHFFFAOYSA-N 1 0 384.509 2.645 20 0 GFADRO COc1ccc(-c2nn[nH]n2)cc1C[NH2+][C@@H](C)c1ccccc1-n1cccn1 ZINC000826184371 608518291 /nfs/dbraw/zinc/51/82/91/608518291.db2.gz URADVZNMFCQGRQ-AWEZNQCLSA-N 1 0 375.436 2.912 20 0 GFADRO CC(=O)Nc1cccc(OCC[NH2+][C@H]2CCCc3cc(-c4nn[nH]n4)ccc32)c1 ZINC000824005274 608519371 /nfs/dbraw/zinc/51/93/71/608519371.db2.gz MPXATQIVUPSYRB-FQEVSTJZSA-N 1 0 392.463 2.871 20 0 GFADRO O=C(NCCC[NH2+][C@H]1CCCc2cc(-c3nn[nH]n3)ccc21)c1cccc(F)c1 ZINC000826436763 608519970 /nfs/dbraw/zinc/51/99/70/608519970.db2.gz HNTZVEOKBOFJQN-IBGZPJMESA-N 1 0 394.454 2.793 20 0 GFADRO Cc1ccc(-c2nn[nH]n2)nc1NCc1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000826280520 608542818 /nfs/dbraw/zinc/54/28/18/608542818.db2.gz FIEBSOCEYKIVAE-HOTGVXAUSA-N 1 0 393.495 2.791 20 0 GFADRO C[C@H]([NH2+]CCCOc1cccc(-c2nn[nH]n2)c1)c1ccc([S@](C)=O)cc1 ZINC000824591637 608579187 /nfs/dbraw/zinc/57/91/87/608579187.db2.gz JLQLJLODSZKITH-PWFNWSNSSA-N 1 0 385.493 2.724 20 0 GFADRO COc1ccccc1NC(=O)C1CC[NH+](Cc2ccc(-c3nn[nH]n3)s2)CC1 ZINC000826220351 608595084 /nfs/dbraw/zinc/59/50/84/608595084.db2.gz LCWYFHHXRCFLMQ-UHFFFAOYSA-N 1 0 398.492 2.788 20 0 GFADRO C[NH+]1CCC2(CCCN2C(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)CC1 ZINC000826028976 608595341 /nfs/dbraw/zinc/59/53/41/608595341.db2.gz LIUNIJBYPCCWPM-UHFFFAOYSA-N 1 0 375.864 2.612 20 0 GFADRO COc1ccc(C[NH+]2CCC(Oc3cccc(-c4nn[nH]n4)c3)CC2)cc1OC ZINC000826194305 608603240 /nfs/dbraw/zinc/60/32/40/608603240.db2.gz ILEVJTVATPMSBI-UHFFFAOYSA-N 1 0 395.463 2.927 20 0 GFADRO C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)c1ccccc1-c1ccccc1-c1nn[nH]n1 ZINC000824975385 608634541 /nfs/dbraw/zinc/63/45/41/608634541.db2.gz JZRFBCKSAVVONG-HUUCEWRRSA-N 1 0 376.464 2.698 20 0 GFADRO CN(C(=O)OC(C)(C)C)C1CC[NH+](Cc2cccc(-c3nn[nH]n3)c2F)CC1 ZINC000825825472 608648403 /nfs/dbraw/zinc/64/84/03/608648403.db2.gz DLZYFJCMUPSHKR-UHFFFAOYSA-N 1 0 390.463 2.837 20 0 GFADRO CN(C(=O)OC(C)(C)C)[C@H]1CCC[N@H+](Cc2cc(-c3nn[nH]n3)cs2)C1 ZINC000825825951 608659962 /nfs/dbraw/zinc/65/99/62/608659962.db2.gz PESNQQABOZBLDF-ZDUSSCGKSA-N 1 0 378.502 2.760 20 0 GFADRO COc1ccccc1[C@H]1CCC[N@@H+]1Cc1cnc2ccc(-c3nn[nH]n3)cn12 ZINC000826219221 608675443 /nfs/dbraw/zinc/67/54/43/608675443.db2.gz WCNGRLPUJPYNHL-QGZVFWFLSA-N 1 0 375.436 2.860 20 0 GFADRO CCCCO[C@H]1C[C@H]([N@H+](C)Cc2cnc3ccc(-c4nn[nH]n4)cn23)C1(C)C ZINC000825291386 608750755 /nfs/dbraw/zinc/75/07/55/608750755.db2.gz QMPDPFWKIRKPOA-IRXDYDNUSA-N 1 0 383.500 2.930 20 0 GFADRO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc(-c2nn[nH]n2)c(C(F)(F)F)c1 ZINC000825000140 608812433 /nfs/dbraw/zinc/81/24/33/608812433.db2.gz MXBHFXWKMWTIJO-ZYHUDNBSSA-N 1 0 395.389 2.586 20 0 GFADRO Cc1nccn1-c1ccc(C[NH2+][C@H](C)c2ccc(-c3nn[nH]n3)c(F)c2)cn1 ZINC000826331085 609135584 /nfs/dbraw/zinc/13/55/84/609135584.db2.gz UJFUANWZPLLMQS-GFCCVEGCSA-N 1 0 378.415 2.746 20 0 GFADRO C[C@H]([NH2+]C1CCN(C(=O)c2ccccc2)CC1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824548350 609136333 /nfs/dbraw/zinc/13/63/33/609136333.db2.gz WIYPPUSUGZSSOP-AWEZNQCLSA-N 1 0 394.454 2.961 20 0 GFADRO O=C1[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CCN1c1ccc(F)c(Cl)c1 ZINC000826476841 609140770 /nfs/dbraw/zinc/14/07/70/609140770.db2.gz QCPZJNCIDKXEAW-MRXNPFEDSA-N 1 0 386.818 2.554 20 0 GFADRO C[C@@H]1CC[C@H](C(F)(F)F)C[N@@H+]1CCC(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000824907754 609148786 /nfs/dbraw/zinc/14/87/86/609148786.db2.gz KFTYNPJOPFRXTI-YPMHNXCESA-N 1 0 382.390 2.858 20 0 GFADRO C[C@H]([NH2+]C[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824578822 609155051 /nfs/dbraw/zinc/15/50/51/609155051.db2.gz WXJPEVOSFRTDRL-HOCLYGCPSA-N 1 0 394.454 2.705 20 0 GFADRO C[C@H]([NH2+][C@@]1(CO)CCCN(Cc2ccccc2)C1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824539179 609235338 /nfs/dbraw/zinc/23/53/38/609235338.db2.gz MGMNNNDMOAYIGI-JTSKRJEESA-N 1 0 392.507 2.544 20 0 GFADRO COc1cccc(NC(=O)C[C@H](C)[NH2+]C2(c3cccc(-c4nn[nH]n4)c3)CC2)c1 ZINC000826217104 609252099 /nfs/dbraw/zinc/25/20/99/609252099.db2.gz YWMZRAYLOFRXMR-AWEZNQCLSA-N 1 0 392.463 2.871 20 0 GFADRO C[C@H](NC(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824491341 609300394 /nfs/dbraw/zinc/30/03/94/609300394.db2.gz TUZTWQMBMOBYEE-RLFYNMQTSA-N 1 0 397.527 2.880 20 0 GFADRO C[C@@H]([NH2+]C[C@H]1CN(Cc2ccccc2)CCO1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824584536 609323000 /nfs/dbraw/zinc/32/30/00/609323000.db2.gz BUSYRLIOCYDZMV-QAPCUYQASA-N 1 0 396.470 2.557 20 0 GFADRO C[C@@H]([NH2+]Cc1cccc(N2CCOC2=O)c1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824618652 609328925 /nfs/dbraw/zinc/32/89/25/609328925.db2.gz QPATURDAOXVDOT-GFCCVEGCSA-N 1 0 382.399 2.813 20 0 GFADRO C[C@@H]([NH2+]CCCc1nnc2n1CCCCC2)c1ccc(-c2nn[nH]n2)cc1F ZINC000824593294 609333775 /nfs/dbraw/zinc/33/37/75/609333775.db2.gz QGDIRFXSOSEBSK-CYBMUJFWSA-N 1 0 384.463 2.607 20 0 GFADRO C[C@@H](C[NH2+]Cc1cn(C)nc1-c1ccc(-c2nn[nH]n2)cc1)N1CCCC[C@@H]1C ZINC000824938921 609336790 /nfs/dbraw/zinc/33/67/90/609336790.db2.gz WZKOPQMCZJLMTB-HOTGVXAUSA-N 1 0 394.527 2.620 20 0 GFADRO COc1cc(F)cc(C[NH2+]Cc2cn(C)nc2-c2ccc(-c3nn[nH]n3)cc2)c1 ZINC000826180049 609344752 /nfs/dbraw/zinc/34/47/52/609344752.db2.gz QEORDJBSHMNKRL-UHFFFAOYSA-N 1 0 393.426 2.705 20 0 GFADRO Cc1cc(N2CCC[C@@H]([NH2+][C@H](C)c3ccc(-c4nn[nH]n4)cc3F)C2)nc(C)n1 ZINC000826269155 609348658 /nfs/dbraw/zinc/34/86/58/609348658.db2.gz BWJAVALZQFGPMR-CZUORRHYSA-N 1 0 396.474 2.732 20 0 GFADRO COc1ccc(-c2nn[nH]n2)cc1NC(=O)N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000826185908 609353934 /nfs/dbraw/zinc/35/39/34/609353934.db2.gz XQUASKUQZYCMKH-HIFRSBDPSA-N 1 0 399.499 2.650 20 0 GFADRO C[N@H+](Cc1ccc(-c2nn[nH]n2)cc1Br)C1CCC(CO)CC1 ZINC000825961268 609366663 /nfs/dbraw/zinc/36/66/63/609366663.db2.gz DIFBHBZMVBDOJQ-UHFFFAOYSA-N 1 0 380.290 2.612 20 0 GFADRO C[C@@H](C[NH2+][C@@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O)c1ccc(F)cc1 ZINC000824427468 609414392 /nfs/dbraw/zinc/41/43/92/609414392.db2.gz NOQXJWPOKRYQJO-IFXJQAMLSA-N 1 0 394.454 2.895 20 0 GFADRO O=C1[C@H]([NH2+][C@@H]2CCC[C@@H](C3CC3)C2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476543 609417754 /nfs/dbraw/zinc/41/77/54/609417754.db2.gz KBJHMMLPKKECCX-ZHALLVOQSA-N 1 0 380.496 2.921 20 0 GFADRO C[C@]1(COC(=O)c2ccc(-c3nn[nH]n3)[nH]2)CCCC[N@@H+]1Cc1ccccc1 ZINC000824832078 609437152 /nfs/dbraw/zinc/43/71/52/609437152.db2.gz QXAXMRRTASPWAQ-HXUWFJFHSA-N 1 0 380.452 2.796 20 0 GFADRO C[C@H]([NH2+][C@@H](C)c1ccc(-c2cccc(-c3nn[nH]n3)c2)cc1)C(=O)NC1CC1 ZINC000824532678 609449802 /nfs/dbraw/zinc/44/98/02/609449802.db2.gz WJWWLJWIOPETJK-KBPBESRZSA-N 1 0 376.464 2.851 20 0 GFADRO O=C1[C@H]([NH2+]C/C=C\c2ccc(F)cc2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826477045 609600925 /nfs/dbraw/zinc/60/09/25/609600925.db2.gz USVAHYURBDFWPZ-PJXRAHGQSA-N 1 0 392.438 2.804 20 0 GFADRO C[NH2+]C[C@@H](C)c1noc(-c2ncc(Br)cc2Br)n1 ZINC000842584455 661344584 /nfs/dbraw/zinc/34/45/84/661344584.db2.gz ZKKPZTMEPLOLRO-ZCFIWIBFSA-N 1 0 376.052 2.980 20 0 GFADRO CC[C@H](C(=O)Nc1cc(-c2ccc(I)cc2)[nH]n1)[NH+](C)C ZINC000532811216 650753537 /nfs/dbraw/zinc/75/35/37/650753537.db2.gz FQIPWUVHKOSONU-CYBMUJFWSA-N 1 0 398.248 2.960 20 0 GFADRO O=C(NC[C@@H](O)c1c(Cl)cccc1Cl)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000817948238 660212449 /nfs/dbraw/zinc/21/24/49/660212449.db2.gz GZHOVDMWWHKSQR-IUODEOHRSA-N 1 0 383.279 2.578 20 0 GFADRO O=C(c1cc(=O)[nH]c2c(Br)cccc12)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000818019343 660213937 /nfs/dbraw/zinc/21/39/37/660213937.db2.gz XNPKHULDZVUQSY-KRWDZBQOSA-N 1 0 376.254 2.671 20 0 GFADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CSCC[C@@H]2CC2(Cl)Cl)C1 ZINC000818156166 660218045 /nfs/dbraw/zinc/21/80/45/660218045.db2.gz FPBHGZCLJPQVQQ-ZIAGYGMSSA-N 1 0 383.385 2.777 20 0 GFADRO Cc1ccc(-n2nc(Br)cc2C(=O)N[C@](C)(C[NH3+])C2CC2)cc1 ZINC000818554927 660228503 /nfs/dbraw/zinc/22/85/03/660228503.db2.gz QOJPGUJHZQDOJU-QGZVFWFLSA-N 1 0 377.286 2.800 20 0 GFADRO O=C(c1cc(=O)[nH]c2ccc(Br)cc21)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000818592059 660229378 /nfs/dbraw/zinc/22/93/78/660229378.db2.gz NOPKZHTWSGGJMP-GOSISDBHSA-N 1 0 390.281 2.919 20 0 GFADRO O=C(c1ccc(Cl)s1)N1CCC(C(=O)N2CC[C@]3(CCC[NH2+]3)C2)CC1 ZINC000818611046 660230012 /nfs/dbraw/zinc/23/00/12/660230012.db2.gz BSIYSLSNNOIBGA-GOSISDBHSA-N 1 0 381.929 2.608 20 0 GFADRO O=S(=O)(NCC[NH2+]C[C@H](O)c1ccc(Cl)cc1Cl)c1ccccc1 ZINC000818947943 660236591 /nfs/dbraw/zinc/23/65/91/660236591.db2.gz LNNFKCKLBDYMAP-INIZCTEOSA-N 1 0 389.304 2.595 20 0 GFADRO Cc1cc(C)cc([C@H](O)C[NH2+]CCNS(=O)(=O)c2cccc(Cl)c2)c1 ZINC000818951984 660237599 /nfs/dbraw/zinc/23/75/99/660237599.db2.gz UCXQNKSKXXHFEJ-GOSISDBHSA-N 1 0 382.913 2.558 20 0 GFADRO O=S(=O)(CC[NH2+]C[C@H](O)c1cccc(Br)c1)c1ccccc1 ZINC000818977262 660240030 /nfs/dbraw/zinc/24/00/30/660240030.db2.gz VMLCUJJFHYDGEN-INIZCTEOSA-N 1 0 384.295 2.546 20 0 GFADRO CC(C)(C)S(=O)(=O)CC[NH2+]CCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000819060247 660244895 /nfs/dbraw/zinc/24/48/95/660244895.db2.gz FXIONKTWSLEDBC-UHFFFAOYSA-N 1 0 380.432 2.837 20 0 GFADRO O[C@H](C[NH2+]C1CCN(C[C@@H]2CCCO2)CC1)c1cccc(Br)c1 ZINC000819061329 660244904 /nfs/dbraw/zinc/24/49/04/660244904.db2.gz KTDXFSVVISTFJC-ZWKOTPCHSA-N 1 0 383.330 2.716 20 0 GFADRO O[C@H](C[NH2+]C[C@@H]1CSCCS1)COc1cc(F)cc(Br)c1 ZINC000819141181 660247839 /nfs/dbraw/zinc/24/78/39/660247839.db2.gz GQQGHQZZHSLJTP-TZMCWYRMSA-N 1 0 396.347 2.766 20 0 GFADRO O=S(=O)(NCC[NH2+]C[C@H](O)c1ccc(Cl)cc1Cl)c1cccs1 ZINC000819182243 660249270 /nfs/dbraw/zinc/24/92/70/660249270.db2.gz AHQRHBHSNNTPSF-ZDUSSCGKSA-N 1 0 395.333 2.656 20 0 GFADRO CCN(C)C(=O)[C@H](C)[NH2+]C[C@@](C)(O)c1ccc(Br)cc1Cl ZINC000819258487 660252344 /nfs/dbraw/zinc/25/23/44/660252344.db2.gz NVGZLPUBJHCHEZ-ZUZCIYMTSA-N 1 0 377.710 2.766 20 0 GFADRO Cc1cc(N2CCC[C@@H]([NH2+]C[C@@H](O)c3cccc(Br)c3)C2)n(C)n1 ZINC000819266073 660252740 /nfs/dbraw/zinc/25/27/40/660252740.db2.gz LPCFFHFXJLRMGU-IAGOWNOFSA-N 1 0 393.329 2.783 20 0 GFADRO C[S@@](=O)C1(C[NH2+]C[C@](C)(O)c2ccc(Br)cc2Cl)CC1 ZINC000819286790 660253765 /nfs/dbraw/zinc/25/37/65/660253765.db2.gz JSBDESSYFZOYGM-RNODOKPDSA-N 1 0 380.735 2.811 20 0 GFADRO CS(=O)(=O)C1(C[NH2+]C[C@H](O)c2ccc(OC(F)(F)F)cc2)CCCC1 ZINC000819308520 660254512 /nfs/dbraw/zinc/25/45/12/660254512.db2.gz WXVAVWUVEWTHLH-AWEZNQCLSA-N 1 0 381.416 2.566 20 0 GFADRO COc1ccc(C[NH2+]C[C@](C)(O)c2ccc(Br)cc2F)c(OC)n1 ZINC000819323685 660254872 /nfs/dbraw/zinc/25/48/72/660254872.db2.gz OWOZGYOHHXVYNT-KRWDZBQOSA-N 1 0 399.260 2.998 20 0 GFADRO CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH2+]C[C@H](O)c1ccccc1Br ZINC000819337751 660255533 /nfs/dbraw/zinc/25/55/33/660255533.db2.gz ZPZDXRXYSLVHIB-LQKXBSAESA-N 1 0 397.313 2.937 20 0 GFADRO CSc1ccc([C@H](CNC(=O)c2cnn(C)c2Br)[NH+](C)C)cc1 ZINC000819337187 660255548 /nfs/dbraw/zinc/25/55/48/660255548.db2.gz ZSFLGXGFXYFWRZ-AWEZNQCLSA-N 1 0 397.342 2.937 20 0 GFADRO COC(=O)c1ccc(OC[C@H](O)C[NH2+]CC[C@]2(C)CC2(Cl)Cl)cc1 ZINC000819348476 660256167 /nfs/dbraw/zinc/25/61/67/660256167.db2.gz GMOOYRNMCQEAFF-CZUORRHYSA-N 1 0 376.280 2.777 20 0 GFADRO Cn1nccc1[C@@H]1C[C@@H]([NH2+]C[C@H](O)c2cccc(Br)c2)CCO1 ZINC000819352246 660256417 /nfs/dbraw/zinc/25/64/17/660256417.db2.gz DATYQVQZTPZXTG-XIRDDKMYSA-N 1 0 380.286 2.726 20 0 GFADRO CN(CC[NH+](C)C)c1ccc(Br)cc1NC(=O)c1cnsn1 ZINC000819739978 660268282 /nfs/dbraw/zinc/26/82/82/660268282.db2.gz PFARGZFPNNJZCK-UHFFFAOYSA-N 1 0 384.303 2.551 20 0 GFADRO COc1cc2[nH+]ccc(NCCS(=O)(=O)CC3CC3)c2cc1Br ZINC000819925385 660275139 /nfs/dbraw/zinc/27/51/39/660275139.db2.gz JSDRFMWUXJTEMK-UHFFFAOYSA-N 1 0 399.310 2.665 20 0 GFADRO CC(C)(C[NH+]1CCOCC1)C(=O)NC[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000820094735 660280700 /nfs/dbraw/zinc/28/07/00/660280700.db2.gz OIKKRGYVAFKIKL-OAHLLOKOSA-N 1 0 375.296 2.501 20 0 GFADRO Ic1cnc(NCC[N@@H+]2CCCOCC2)c2ccccc12 ZINC000820686409 660302640 /nfs/dbraw/zinc/30/26/40/660302640.db2.gz KKMPTUPWYYVPTO-UHFFFAOYSA-N 1 0 397.260 2.974 20 0 GFADRO C[N@@H+](Cc1ccccc1)CC1CCN(CCn2cnc(Br)n2)CC1 ZINC000821368292 660323165 /nfs/dbraw/zinc/32/31/65/660323165.db2.gz MUTZAEGHPZCVDA-UHFFFAOYSA-N 1 0 392.345 2.885 20 0 GFADRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)Nc1cc(Br)nn1C ZINC000821467421 660326805 /nfs/dbraw/zinc/32/68/05/660326805.db2.gz YQMKOCGMXDLCCW-GXTWGEPZSA-N 1 0 392.301 2.825 20 0 GFADRO C[C@H]1CN(C(=O)c2ncc(Br)cn2)CC[N@H+](Cc2ccccc2)C1 ZINC000821767868 660333666 /nfs/dbraw/zinc/33/36/66/660333666.db2.gz RSWZPJLCKXATCX-CQSZACIVSA-N 1 0 389.297 2.833 20 0 GFADRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C[C@H]2C(=O)Nc3c2cccc3Br)C1 ZINC000822159755 660341129 /nfs/dbraw/zinc/34/11/29/660341129.db2.gz PJWBWLGMHAVIRJ-GXTWGEPZSA-N 1 0 394.313 2.816 20 0 GFADRO C[NH+](C)CC(C)(C)NC(=O)c1cnn(Cc2ccccc2)c1Br ZINC000822286987 660342601 /nfs/dbraw/zinc/34/26/01/660342601.db2.gz MWLZFBCQZIGJNH-UHFFFAOYSA-N 1 0 379.302 2.764 20 0 GFADRO CN(C)c1ncc(C[NH2+]C(C)(C)[C@@H](O)c2ccc(Br)cc2)n1C ZINC000822470358 660346289 /nfs/dbraw/zinc/34/62/89/660346289.db2.gz NOWWPJWQHKKSSL-HNNXBMFYSA-N 1 0 381.318 2.850 20 0 GFADRO Cn1nc(Br)cc1CN1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000822503379 660346883 /nfs/dbraw/zinc/34/68/83/660346883.db2.gz HPPJGVUNUPHYRR-DOTOQJQBSA-N 1 0 375.314 2.889 20 0 GFADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1cc(Cl)c(F)cc1Br ZINC000822878489 660356389 /nfs/dbraw/zinc/35/63/89/660356389.db2.gz ILKFQCHAOCWQGW-VHSXEESVSA-N 1 0 391.668 2.835 20 0 GFADRO C[C@@H]1[NH2+]CC[C@H]1c1nc(CS(=O)(=O)c2cc(Cl)ccc2Cl)no1 ZINC000822901261 660357328 /nfs/dbraw/zinc/35/73/28/660357328.db2.gz QHLGNZQLOVZILY-WCBMZHEXSA-N 1 0 376.265 2.816 20 0 GFADRO O=S(=O)(Cc1noc([C@@H]2C[C@@]23CC[NH2+]C3)n1)c1cc(Cl)ccc1Cl ZINC000822901219 660357362 /nfs/dbraw/zinc/35/73/62/660357362.db2.gz PGQKLIBKIVTIFY-ZUZCIYMTSA-N 1 0 388.276 2.817 20 0 GFADRO Brc1cc(Cc2noc([C@@H]3C[C@@]34CC[NH2+]C4)n2)cc2c1OCCO2 ZINC000822946991 660358749 /nfs/dbraw/zinc/35/87/49/660358749.db2.gz MJYCMXOXHRUIGN-APPDUMDISA-N 1 0 392.253 2.661 20 0 GFADRO CSC1(CNC(=O)[C@@H](O)c2ccc(C(F)(F)F)cc2)CC[NH+](C)CC1 ZINC000823019152 660359920 /nfs/dbraw/zinc/35/99/20/660359920.db2.gz JNONFLBOTISUIH-AWEZNQCLSA-N 1 0 376.444 2.682 20 0 GFADRO Fc1cc(Br)ccc1-c1noc(-c2cn([C@H]3CCC[NH2+]C3)nn2)n1 ZINC000823064632 660360743 /nfs/dbraw/zinc/36/07/43/660360743.db2.gz MLCOCYYMNGMYFU-JTQLQIEISA-N 1 0 393.220 2.821 20 0 GFADRO Cc1ccc(Br)cc1-c1noc(-c2cn([C@H]3CCC[NH2+]C3)nn2)n1 ZINC000823190132 660364520 /nfs/dbraw/zinc/36/45/20/660364520.db2.gz ZUFNHZUPDCFTMG-LBPRGKRZSA-N 1 0 389.257 2.991 20 0 GFADRO C[N@H+](C[C@@H](O)CNC(=O)OC(C)(C)C)C[C@@H](O)c1ccc(Cl)cc1Cl ZINC000823205829 660365076 /nfs/dbraw/zinc/36/50/76/660365076.db2.gz ZKSLXHWLKIHNNH-SWLSCSKDSA-N 1 0 393.311 2.844 20 0 GFADRO C[N@H+](C[C@H](O)CNC(=O)OC(C)(C)C)C[C@@H](O)c1ccc(Cl)cc1Cl ZINC000823205828 660365168 /nfs/dbraw/zinc/36/51/68/660365168.db2.gz ZKSLXHWLKIHNNH-IUODEOHRSA-N 1 0 393.311 2.844 20 0 GFADRO COC[C@]1(c2nc(C3(c4ccccc4Br)CC3)no2)CC[NH2+]C1 ZINC000823216301 660365359 /nfs/dbraw/zinc/36/53/59/660365359.db2.gz SANOTKMLVQKZPT-INIZCTEOSA-N 1 0 378.270 2.790 20 0 GFADRO Cn1nc(C(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)cc1Br ZINC000823613280 660376535 /nfs/dbraw/zinc/37/65/35/660376535.db2.gz CEEVJAOHNANHAW-OAHLLOKOSA-N 1 0 377.286 2.750 20 0 GFADRO C[N@H+](CCNC(=O)c1csc(I)n1)C1CCCCC1 ZINC000823908969 660382834 /nfs/dbraw/zinc/38/28/34/660382834.db2.gz QROQGQIUQDTKAH-UHFFFAOYSA-N 1 0 393.294 2.742 20 0 GFADRO COc1cc(/C=C\C(=O)N[C@H]2C[C@@H]([NH+]3CCCC3)C2)cc(Br)c1O ZINC000824101096 660385381 /nfs/dbraw/zinc/38/53/81/660385381.db2.gz GYEVKZMAFXHKGH-XTBPLBNGSA-N 1 0 395.297 2.920 20 0 GFADRO COCC(C)(C)[NH+]1CCN(C(=O)Nc2ccnc(Br)c2C)CC1 ZINC000824354814 660390680 /nfs/dbraw/zinc/39/06/80/660390680.db2.gz RVLAZRBIVDKVSH-UHFFFAOYSA-N 1 0 385.306 2.727 20 0 GFADRO Cn1c(Cl)cnc1-c1csc(NC(=O)N2CC[C@@H]([NH+]3CCCC3)C2)n1 ZINC000824514791 660395476 /nfs/dbraw/zinc/39/54/76/660395476.db2.gz JQBUDWVYEPXDLF-LLVKDONJSA-N 1 0 380.905 2.899 20 0 GFADRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)c2csc(I)n2)C1 ZINC000824626725 660398373 /nfs/dbraw/zinc/39/83/73/660398373.db2.gz ANCGDXVFAIPQME-JTQLQIEISA-N 1 0 393.294 2.598 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)c1c(Br)nc2n1CCC2)c1ccsc1 ZINC000824726203 660399951 /nfs/dbraw/zinc/39/99/51/660399951.db2.gz JETPLEDLFMQABQ-NSHDSACASA-N 1 0 383.315 2.686 20 0 GFADRO CC(C)(Oc1ccc(Br)cc1)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000824731961 660400229 /nfs/dbraw/zinc/40/02/29/660400229.db2.gz AQBJBCCIBJWVPL-HOCLYGCPSA-N 1 0 397.313 2.586 20 0 GFADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1cc2cc(Br)sc2[nH]1 ZINC000824740380 660400406 /nfs/dbraw/zinc/40/04/06/660400406.db2.gz DWXFYFGLHSQRJJ-GHMZBOCLSA-N 1 0 384.299 2.585 20 0 GFADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]C[C@@H]1CCCC1(F)F ZINC000824799138 660402323 /nfs/dbraw/zinc/40/23/23/660402323.db2.gz KXBSSYHCVVYBKR-NWDGAFQWSA-N 1 0 381.876 2.730 20 0 GFADRO C[C@@H](C[NH2+]CCS(=O)(=O)C1CCOCC1)c1ccc(C(F)(F)F)cc1 ZINC000824904022 660404704 /nfs/dbraw/zinc/40/47/04/660404704.db2.gz RZIMYVIOICEBJT-ZDUSSCGKSA-N 1 0 379.444 2.992 20 0 GFADRO Cn1nc(C(F)(F)F)c(C[NH2+][C@H]2CCO[C@@H](c3ccnn3C)C2)c1Cl ZINC000825046275 660408440 /nfs/dbraw/zinc/40/84/40/660408440.db2.gz ROZLRXCTVJEJBA-JOYOIKCWSA-N 1 0 377.798 2.836 20 0 GFADRO Cc1ccc(-n2nc(Br)cc2C(=O)N[C@H]2CC[C@@H](C[NH3+])C2)cc1 ZINC000825196331 660414533 /nfs/dbraw/zinc/41/45/33/660414533.db2.gz DGGBJCNDHBLANV-OLZOCXBDSA-N 1 0 377.286 2.800 20 0 GFADRO Cn1nc(C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2ccccc2)cc1Br ZINC000825466493 660428867 /nfs/dbraw/zinc/42/88/67/660428867.db2.gz FEUGVTNINUQBKJ-HNNXBMFYSA-N 1 0 391.313 2.967 20 0 GFADRO O=C(c1c(Br)nc2n1CCC2)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000825764819 660440877 /nfs/dbraw/zinc/44/08/77/660440877.db2.gz OODUYPQCDKYHCE-CYBMUJFWSA-N 1 0 381.318 2.682 20 0 GFADRO C[N@@H+]1CCN(C(=O)c2c(Br)nc3n2CCC3)C2(CCCCC2)C1 ZINC000826528514 660455902 /nfs/dbraw/zinc/45/59/02/660455902.db2.gz CMRRWBCEMWWPOU-UHFFFAOYSA-N 1 0 381.318 2.682 20 0 GFADRO C[C@]12CC[N@H+](Cc3ccnc(N)c3)C[C@H]1C2(Br)Br ZINC000852335713 661860916 /nfs/dbraw/zinc/86/09/16/661860916.db2.gz LLNWLIYQPKIKEL-PWSUYJOCSA-N 1 0 375.108 2.992 20 0 GFADRO O=C(C/C=C\c1ccc(Br)cc1)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000826570183 660457536 /nfs/dbraw/zinc/45/75/36/660457536.db2.gz NNUODYOODLCCKI-LPQSXRFUSA-N 1 0 393.325 2.910 20 0 GFADRO C[N@@H+]1C[C@@H](CNc2ncc(I)cn2)[C@H](c2ccccc2)C1 ZINC000826720241 660462178 /nfs/dbraw/zinc/46/21/78/660462178.db2.gz DEFFMINFOGXEAD-HIFRSBDPSA-N 1 0 394.260 2.839 20 0 GFADRO Cn1ccc(C[N@@H+]2CC[C@@]3(C)[C@@H](C2)C3(Br)Br)cc1=O ZINC000852335789 661860988 /nfs/dbraw/zinc/86/09/88/661860988.db2.gz OTBYIIRKOOFPAX-YPMHNXCESA-N 1 0 390.119 2.713 20 0 GFADRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)c2c(Br)nc3n2CCC3)C1 ZINC000827142706 660480696 /nfs/dbraw/zinc/48/06/96/660480696.db2.gz PFBLFKCWYRPUQR-ZDUSSCGKSA-N 1 0 383.334 2.690 20 0 GFADRO C[C@]1(CC(=O)N[C@H]2C[N@H+](Cc3ccccc3)CC[C@H]2CO)CC1(Cl)Cl ZINC000827142791 660480775 /nfs/dbraw/zinc/48/07/75/660480775.db2.gz RMWBNFWNMDHWIK-BQFCYCMXSA-N 1 0 385.335 2.960 20 0 GFADRO CCCn1cc(NC(=O)[C@@](C)([NH3+])c2ccc(Br)cc2)ccc1=O ZINC000827341165 660490328 /nfs/dbraw/zinc/49/03/28/660490328.db2.gz TZKQSNBTVRBTKU-KRWDZBQOSA-N 1 0 378.270 2.833 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3cnnn3-c3c(Cl)cccc3Cl)CC[C@@H]21 ZINC000827264940 660486910 /nfs/dbraw/zinc/48/69/10/660486910.db2.gz FAENJKYIYOSHDS-RISCZKNCSA-N 1 0 380.279 2.740 20 0 GFADRO Cc1c(I)cccc1C(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000827302301 660488388 /nfs/dbraw/zinc/48/83/88/660488388.db2.gz UXORLCMNUGANLX-IUODEOHRSA-N 1 0 384.261 2.766 20 0 GFADRO Cc1cc([C@@H]([NH3+])CC(=O)NCCN2CCc3sccc3C2)cc(Cl)n1 ZINC000827549048 660501983 /nfs/dbraw/zinc/50/19/83/660501983.db2.gz YSEPKWZQCXKVAN-HNNXBMFYSA-N 1 0 378.929 2.669 20 0 GFADRO CC(C)[C@@H](CC[NH2+][C@@H]1CCC[C@@H](S(C)(=O)=O)C1)NC(=O)OC(C)(C)C ZINC000827638851 660506087 /nfs/dbraw/zinc/50/60/87/660506087.db2.gz CCCFJVDMFFBEOY-BZUAXINKSA-N 1 0 376.563 2.871 20 0 GFADRO COCCN(CC1CC[NH+](C)CC1)C(=O)c1nc(C)ccc1Br ZINC000827836314 660518614 /nfs/dbraw/zinc/51/86/14/660518614.db2.gz BMSJJBLYPPGGMU-UHFFFAOYSA-N 1 0 384.318 2.583 20 0 GFADRO CCSc1nnc(NC(=O)NCC2([NH+](C)C)Cc3ccccc3C2)s1 ZINC000608262331 651592720 /nfs/dbraw/zinc/59/27/20/651592720.db2.gz WOEQILIKAWEQGP-UHFFFAOYSA-N 1 0 377.539 2.871 20 0 GFADRO O=C(NCCC[NH+]1CCC(O)CC1)C(F)(F)c1ccc(Br)cc1 ZINC000828149593 660537562 /nfs/dbraw/zinc/53/75/62/660537562.db2.gz LEPBTCADXOPRAH-UHFFFAOYSA-N 1 0 391.256 2.504 20 0 GFADRO C[C@@H]1CCC[N@@H+]1CCNC(=O)c1ccn(-c2ccc(Br)cc2)n1 ZINC000828833455 660572326 /nfs/dbraw/zinc/57/23/26/660572326.db2.gz GNERBJIFVFGKSO-CYBMUJFWSA-N 1 0 377.286 2.849 20 0 GFADRO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)c1cc2ccc(Br)cc2c(=O)o1 ZINC000828961355 660576787 /nfs/dbraw/zinc/57/67/87/660576787.db2.gz WDGVOFKKENGDMO-HUUCEWRRSA-N 1 0 391.265 2.864 20 0 GFADRO CN(CC[NH+]1CC2(C1)CCOCC2)C(=O)c1ccc(Br)c(F)c1 ZINC000829272468 660587355 /nfs/dbraw/zinc/58/73/55/660587355.db2.gz JERQFELSMFGNQS-UHFFFAOYSA-N 1 0 385.277 2.773 20 0 GFADRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)c2cc(Br)n[nH]2)CC1 ZINC000829710591 660609127 /nfs/dbraw/zinc/60/91/27/660609127.db2.gz FBICJEHQHMOYBB-UHFFFAOYSA-N 1 0 377.286 2.909 20 0 GFADRO Cn1cc(CNC(=O)c2ccc(C[NH+]3CCCCC3)o2)c(Br)n1 ZINC000829960117 660626530 /nfs/dbraw/zinc/62/65/30/660626530.db2.gz YPUFNDUCHMPEEM-UHFFFAOYSA-N 1 0 381.274 2.692 20 0 GFADRO CN(C)C(=O)O[C@@H]1CC[N@H+](C[C@@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000830488543 660659091 /nfs/dbraw/zinc/65/90/91/660659091.db2.gz XIPIHKXVJZSXQF-CHWSQXEVSA-N 1 0 377.268 2.506 20 0 GFADRO O=S(=O)(Cc1c(F)cccc1Cl)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000830530207 660661911 /nfs/dbraw/zinc/66/19/11/660661911.db2.gz WQVHFHMFQCQSRX-AWEZNQCLSA-N 1 0 390.908 2.542 20 0 GFADRO CN(C)C(=O)O[C@H]1CCC[N@H+](C[C@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000830568375 660664686 /nfs/dbraw/zinc/66/46/86/660664686.db2.gz HICCUHIJDDTHKN-STQMWFEESA-N 1 0 391.295 2.896 20 0 GFADRO CC1([NH+]2CCCCC2)CCN(C(=O)c2cc(N)nc(Br)c2)CC1 ZINC000832218193 660764462 /nfs/dbraw/zinc/76/44/62/660764462.db2.gz ZMQNKVKSBDFETD-UHFFFAOYSA-N 1 0 381.318 2.907 20 0 GFADRO C[N@H+](Cc1ccccc1)[C@H](CNC(=O)c1cc(Br)n[nH]1)C1CC1 ZINC000832453448 660780703 /nfs/dbraw/zinc/78/07/03/660780703.db2.gz BSVRGLFHMGJZHP-OAHLLOKOSA-N 1 0 377.286 2.813 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CN(C(=O)c2ccc(-c3ccccc3Br)n2C)CCO1 ZINC000834317453 660814075 /nfs/dbraw/zinc/81/40/75/660814075.db2.gz VGGZHHMFOPLVHN-PXAZEXFGSA-N 1 0 392.297 2.643 20 0 GFADRO O=C(c1cn(-c2ccc(Br)cc2)cn1)N1CCC2(C1)CC[NH2+]CC2 ZINC000834448491 660820752 /nfs/dbraw/zinc/82/07/52/660820752.db2.gz PVIJZLWXEQHZMH-UHFFFAOYSA-N 1 0 389.297 2.851 20 0 GFADRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)c1cnn(-c2ncccc2Cl)c1C(F)(F)Cl ZINC000834771147 660832798 /nfs/dbraw/zinc/83/27/98/660832798.db2.gz PCUXGUJIHQCFJT-KWQFWETISA-N 1 0 390.221 2.771 20 0 GFADRO CC[C@@H]([NH3+])CNC(=O)c1cnn(-c2ncccc2Cl)c1C(F)(F)Cl ZINC000834828035 660834496 /nfs/dbraw/zinc/83/44/96/660834496.db2.gz ZLEWUCLTGDGKEF-MRVPVSSYSA-N 1 0 378.210 2.676 20 0 GFADRO CS[C@H](CO)[C@@H](C)[NH2+]Cc1nc2c(s1)CN(C(=O)OC(C)(C)C)CC2 ZINC000835040569 660839211 /nfs/dbraw/zinc/83/92/11/660839211.db2.gz QCBCUXNKHISPPT-BXUZGUMPSA-N 1 0 387.571 2.638 20 0 GFADRO CCC[C@@H](C)NS(=O)(=O)c1cc(C(=O)NC[C@H](C)[NH3+])c(Cl)cc1Cl ZINC000834682417 660829855 /nfs/dbraw/zinc/82/98/55/660829855.db2.gz SDNYNTIEBZCCOT-VHSXEESVSA-N 1 0 396.340 2.537 20 0 GFADRO C[NH+]1CCC(CCNC(=O)NC[C@@H](O)c2ccccc2Br)CC1 ZINC000836350878 660901041 /nfs/dbraw/zinc/90/10/41/660901041.db2.gz XQMWXYOFASGNEA-MRXNPFEDSA-N 1 0 384.318 2.514 20 0 GFADRO O[C@H](C[NH2+]CCCCn1cc(Br)cn1)C[C@H](O)c1ccccc1 ZINC000905242996 654343711 /nfs/dbraw/zinc/34/37/11/654343711.db2.gz LRLJEONKRPVKLB-IRXDYDNUSA-N 1 0 382.302 2.500 20 0 GFADRO O=C(Nc1ccnc(Br)c1)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000836696525 660932833 /nfs/dbraw/zinc/93/28/33/660932833.db2.gz HAUZBZPDHVAKMU-HUUCEWRRSA-N 1 0 397.317 2.734 20 0 GFADRO C[NH+](C)Cc1ccc(NC(=O)CNC(=O)c2cccc(Br)c2)cc1 ZINC000023899354 654540924 /nfs/dbraw/zinc/54/09/24/654540924.db2.gz RAWKJQWDPINBNJ-UHFFFAOYSA-N 1 0 390.281 2.879 20 0 GFADRO C[C@@H]([N@H+](C)CC(=O)NCC(=O)Nc1ccccc1Br)C(C)(C)C ZINC000027135377 654562753 /nfs/dbraw/zinc/56/27/53/654562753.db2.gz FASICVQTUOAXDY-GFCCVEGCSA-N 1 0 384.318 2.870 20 0 GFADRO CC(C)[NH+](CCNS(=O)(=O)c1ccc(F)cc1Br)C(C)C ZINC000037574581 654615625 /nfs/dbraw/zinc/61/56/25/654615625.db2.gz SLUIMOLRTDXPEH-UHFFFAOYSA-N 1 0 381.311 2.985 20 0 GFADRO O=S1(=O)CC[C@@H](C[NH2+]Cc2cc(Br)ccc2OC(F)F)C1 ZINC000037982610 654616355 /nfs/dbraw/zinc/61/63/55/654616355.db2.gz AYAUAWMKEJNFRV-VIFPVBQESA-N 1 0 384.242 2.575 20 0 GFADRO COc1c(Br)cc(C[NH2+]C[C@H]2COCCO2)cc1Br ZINC000037998277 654616378 /nfs/dbraw/zinc/61/63/78/654616378.db2.gz QUNAYBLYDHSSOH-JTQLQIEISA-N 1 0 395.091 2.725 20 0 GFADRO Cc1csc([C@](O)(CC(=O)N(C)[C@H]2CC[N@@H+](C(C)C)C2)C(F)(F)F)n1 ZINC000837186721 660976188 /nfs/dbraw/zinc/97/61/88/660976188.db2.gz UMQATHZYNFNBBD-SWLSCSKDSA-N 1 0 379.448 2.533 20 0 GFADRO C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)C[C@H](C)O1 ZINC000041275589 654625233 /nfs/dbraw/zinc/62/52/33/654625233.db2.gz NZLZLQNWPFXWQU-TXEJJXNPSA-N 1 0 388.295 2.547 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)NCC[N@H+]1CCCC[C@H]1C ZINC000041664718 654629595 /nfs/dbraw/zinc/62/95/95/654629595.db2.gz GVWJSQCVBLOUDG-CQSZACIVSA-N 1 0 396.329 2.995 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)C(=O)NCC[N@H+]1CCC[C@@H](C)C1 ZINC000041711893 654630204 /nfs/dbraw/zinc/63/02/04/654630204.db2.gz XVWFOOTZPISMRT-GFCCVEGCSA-N 1 0 382.302 2.544 20 0 GFADRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)C(=O)Nc2ccccc2Br)C1 ZINC000041728929 654630246 /nfs/dbraw/zinc/63/02/46/654630246.db2.gz OZCPJULSKWRDQL-ZIAGYGMSSA-N 1 0 396.329 2.872 20 0 GFADRO C[NH+](C)Cc1cccc(C(=O)NC[C@H](O)c2ccccc2Br)c1 ZINC000837199411 660977721 /nfs/dbraw/zinc/97/77/21/660977721.db2.gz UWPIWNOTYPHULR-KRWDZBQOSA-N 1 0 377.282 2.974 20 0 GFADRO NC(=O)C1CC[NH+](CCCNC(=S)Nc2ccc(Cl)cc2Cl)CC1 ZINC000044158988 654654700 /nfs/dbraw/zinc/65/47/00/654654700.db2.gz INZIACPFDHXJSH-UHFFFAOYSA-N 1 0 389.352 2.867 20 0 GFADRO CC[N@@H+]1CC[C@@H](CNC(=O)Nc2cc3c(cc2Br)OCCO3)C1 ZINC000046956710 654688240 /nfs/dbraw/zinc/68/82/40/654688240.db2.gz BYJIYLUMAGYTOM-NSHDSACASA-N 1 0 384.274 2.684 20 0 GFADRO C[NH+]1CCN(c2ccc(NC(=O)c3cc(F)ccc3Br)nc2)CC1 ZINC000047553501 654697306 /nfs/dbraw/zinc/69/73/06/654697306.db2.gz AHPZXCXGGHEJGC-UHFFFAOYSA-N 1 0 393.260 2.987 20 0 GFADRO CC1CC[NH+](CCCNC(=O)NC[C@@H](O)c2ccccc2Br)CC1 ZINC000837389120 660992185 /nfs/dbraw/zinc/99/21/85/660992185.db2.gz GVUPKKXAWAPRPJ-QGZVFWFLSA-N 1 0 398.345 2.904 20 0 GFADRO CC[NH+](CC)[C@@H](CNC(=O)NC[C@@H](O)C(F)(F)F)c1ccccc1Cl ZINC000048740638 654712612 /nfs/dbraw/zinc/71/26/12/654712612.db2.gz DELHGVTZMSTQRW-UONOGXRCSA-N 1 0 381.826 2.945 20 0 GFADRO Cc1cccc(NC(=O)C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)c1Br ZINC000122174280 654730567 /nfs/dbraw/zinc/73/05/67/654730567.db2.gz UHTNAWNIPQFZDV-UKRRQHHQSA-N 1 0 394.313 2.639 20 0 GFADRO CC[NH+]1CCN(C[C@H](C)CNS(=O)(=O)c2ccc(C(C)(C)C)s2)CC1 ZINC000122336644 654734378 /nfs/dbraw/zinc/73/43/78/654734378.db2.gz FRPXTXCPBLBWQK-OAHLLOKOSA-N 1 0 387.615 2.598 20 0 GFADRO O=C(c1c(Br)nc2n1CCCC2)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000837432501 660996661 /nfs/dbraw/zinc/99/66/61/660996661.db2.gz UGBQGOWPXLTXIU-CYBMUJFWSA-N 1 0 381.318 2.540 20 0 GFADRO COc1ccc(Br)cc1CN1CCN(CC[NH+]2CCCC2)CC1 ZINC000052584818 654737345 /nfs/dbraw/zinc/73/73/45/654737345.db2.gz FGCOVVUFNZDBOB-UHFFFAOYSA-N 1 0 382.346 2.671 20 0 GFADRO C[NH2+]C[C@H]1CCCN(S(=O)(=O)c2cc(C)c(Br)cc2C)C1 ZINC000122554451 654739255 /nfs/dbraw/zinc/73/92/55/654739255.db2.gz BEMXSALWNVNGQY-CYBMUJFWSA-N 1 0 375.332 2.686 20 0 GFADRO CC[NH+](CC)[C@@H](CNC(=O)[C@@H]1CSCN1C(C)=O)c1ccccc1Cl ZINC000122664575 654741721 /nfs/dbraw/zinc/74/17/21/654741721.db2.gz HLGPIXXVOWVMJF-IRXDYDNUSA-N 1 0 383.945 2.761 20 0 GFADRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)CCn2cc(Br)ccc2=O)C1 ZINC000053405054 654745786 /nfs/dbraw/zinc/74/57/86/654745786.db2.gz OMCPNCKVXWDWEP-CQSZACIVSA-N 1 0 398.345 2.628 20 0 GFADRO O=C(NCCCC[NH+]1CCOCC1)c1ccc(Br)cc1Cl ZINC000053450735 654746888 /nfs/dbraw/zinc/74/68/88/654746888.db2.gz KKTQSTUAWNRUMP-UHFFFAOYSA-N 1 0 375.694 2.945 20 0 GFADRO CC(C)c1nn(-c2ccc(Br)cc2)cc1C[NH2+]CCOCCO ZINC000122970979 654748447 /nfs/dbraw/zinc/74/84/47/654748447.db2.gz OOXCADHVTFOJBO-UHFFFAOYSA-N 1 0 382.302 2.857 20 0 GFADRO O=C(C[N@H+]1CCCN(Cc2ccc(Br)cc2)CC1)N1CCCC1 ZINC000123021231 654750444 /nfs/dbraw/zinc/75/04/44/654750444.db2.gz SEVSIXJACDPINB-UHFFFAOYSA-N 1 0 380.330 2.579 20 0 GFADRO C[NH+]1CCC([C@@H]2CCN(C(=O)c3c(Br)nc4n3CCCC4)C2)CC1 ZINC000837497134 661001817 /nfs/dbraw/zinc/00/18/17/661001817.db2.gz ZZVKGJKZJCQOMG-CQSZACIVSA-N 1 0 395.345 2.786 20 0 GFADRO C[C@@H]1CCC[N@H+](CCNC(=O)c2c(F)cccc2I)C1 ZINC000123960439 654767084 /nfs/dbraw/zinc/76/70/84/654767084.db2.gz TVIUNEAGKGLCOZ-LLVKDONJSA-N 1 0 390.240 2.892 20 0 GFADRO C[C@@H]1C[C@@H](N(C)C(=O)c2cc(=O)[nH]c3ccc(Br)cc32)CC[N@@H+]1C ZINC000124549228 654778437 /nfs/dbraw/zinc/77/84/37/654778437.db2.gz PZKDUBSJNJXPEF-YPMHNXCESA-N 1 0 392.297 2.845 20 0 GFADRO COc1cc(C)c(Br)cc1S(=O)(=O)N(C)CC[C@H]([NH3+])C(C)C ZINC000124947892 654784430 /nfs/dbraw/zinc/78/44/30/654784430.db2.gz DDYGIAMYGIVWLT-ZDUSSCGKSA-N 1 0 393.347 2.760 20 0 GFADRO Cc1cc(Br)ccc1C(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000057066278 654799244 /nfs/dbraw/zinc/79/92/44/654799244.db2.gz PDZCNTPXSCKXPM-UHFFFAOYSA-N 1 0 394.357 2.857 20 0 GFADRO C[NH+](C)C[C@](C)(O)CNC(=O)NCC(C)(C)c1c(Cl)cccc1Cl ZINC000125611246 654799351 /nfs/dbraw/zinc/79/93/51/654799351.db2.gz FRCJVALCKLGACD-QGZVFWFLSA-N 1 0 376.328 2.883 20 0 GFADRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1c(Br)nc2n1CCCC2 ZINC000837653908 661009800 /nfs/dbraw/zinc/00/98/00/661009800.db2.gz QTVUYORAZHLUQF-QWHCGFSZSA-N 1 0 381.318 2.681 20 0 GFADRO C[C@@H](CNC(=O)NCC(=O)Nc1ccc(Br)cc1)[NH+]1CCCCC1 ZINC000057163353 654802369 /nfs/dbraw/zinc/80/23/69/654802369.db2.gz RBBBAABOGBIHEK-ZDUSSCGKSA-N 1 0 397.317 2.561 20 0 GFADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)COc2c(Cl)cccc2Cl)C1 ZINC000057932264 654812756 /nfs/dbraw/zinc/81/27/56/654812756.db2.gz MNXYTPVGHPJVIT-ZDUSSCGKSA-N 1 0 375.296 2.845 20 0 GFADRO Cc1ccc(Br)c(S(=O)(=O)NC[C@@H](C)C[NH+]2CCCC2)c1 ZINC000126597599 654815955 /nfs/dbraw/zinc/81/59/55/654815955.db2.gz VFUJEHBXSKISQG-CYBMUJFWSA-N 1 0 375.332 2.768 20 0 GFADRO O=C(NC1CC[NH+](CCOc2ccc(Br)cc2)CC1)[C@@H]1CCCO1 ZINC000126608612 654816305 /nfs/dbraw/zinc/81/63/05/654816305.db2.gz LEGWEYZJXXSOEU-KRWDZBQOSA-N 1 0 397.313 2.588 20 0 GFADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)NC(c1cccs1)c1cccs1 ZINC000127420830 654829551 /nfs/dbraw/zinc/82/95/51/654829551.db2.gz JVOLHHCZYKZIDB-CQSZACIVSA-N 1 0 378.567 2.834 20 0 GFADRO O=S(=O)(NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1ccc(Cl)cc1F ZINC000127517145 654831054 /nfs/dbraw/zinc/83/10/54/654831054.db2.gz AYKNBWYUCBJQPL-JKSUJKDBSA-N 1 0 390.908 2.525 20 0 GFADRO O=S(=O)(NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1ccc(F)c(Cl)c1 ZINC000127516283 654831074 /nfs/dbraw/zinc/83/10/74/654831074.db2.gz YYTHCCRPOVHALP-DLBZAZTESA-N 1 0 390.908 2.525 20 0 GFADRO Cc1cc(Cl)ccc1S(=O)(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000127523593 654831411 /nfs/dbraw/zinc/83/14/11/654831411.db2.gz MBUXYHPGJYWHCH-DLBZAZTESA-N 1 0 386.945 2.695 20 0 GFADRO O=S(=O)(NCC[NH2+]CC1=Cc2ccccc2OC1)c1ccc(Cl)s1 ZINC000127817961 654834900 /nfs/dbraw/zinc/83/49/00/654834900.db2.gz NLYNCPJOTVHQOC-UHFFFAOYSA-N 1 0 384.910 2.745 20 0 GFADRO CCS(=O)(=O)N1CCC([NH2+]Cc2ccc(C)c(Br)c2)CC1 ZINC000127863043 654836382 /nfs/dbraw/zinc/83/63/82/654836382.db2.gz NGTJVVAQUIMRSR-UHFFFAOYSA-N 1 0 375.332 2.661 20 0 GFADRO C[NH+](C)Cc1ccccc1CNC(=O)c1ccc(Cl)c(S(C)(=O)=O)c1 ZINC000061232548 654837736 /nfs/dbraw/zinc/83/77/36/654837736.db2.gz UYXHLQIXYSKLCC-UHFFFAOYSA-N 1 0 380.897 2.735 20 0 GFADRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc(F)cc1I ZINC000061573856 654840585 /nfs/dbraw/zinc/84/05/85/654840585.db2.gz JADAIHAEMDJRDF-KBPBESRZSA-N 1 0 388.224 2.787 20 0 GFADRO CC[NH+](CC)[C@H]1CCN(S(=O)(=O)c2cc(Br)cnc2Cl)C1 ZINC000062970796 654848371 /nfs/dbraw/zinc/84/83/71/654848371.db2.gz LIUIMQQHNZCJKI-NSHDSACASA-N 1 0 396.738 2.602 20 0 GFADRO CC[NH+](CC)[C@@H]1CCN(S(=O)(=O)c2ccc(F)cc2Br)C1 ZINC000062983943 654848403 /nfs/dbraw/zinc/84/84/03/654848403.db2.gz ZZNXUELQVKYWSX-GFCCVEGCSA-N 1 0 379.295 2.693 20 0 GFADRO O=C(C[NH2+][C@H]1CCCC[C@@H]1n1cccn1)Nc1ccc(Br)cn1 ZINC000128861262 654853038 /nfs/dbraw/zinc/85/30/38/654853038.db2.gz NLWAQJMVTQOEEM-KBPBESRZSA-N 1 0 378.274 2.753 20 0 GFADRO CCOC(=O)C[C@@H](NC(=O)C[C@H]1CC[NH2+]C1)c1ccc(Br)cc1 ZINC000129083730 654856032 /nfs/dbraw/zinc/85/60/32/654856032.db2.gz GNOOAHBQCOKAHF-IUODEOHRSA-N 1 0 383.286 2.559 20 0 GFADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3csc(I)c3)CC[C@@H]21 ZINC000129130142 654857654 /nfs/dbraw/zinc/85/76/54/654857654.db2.gz YEDNQXAFRQMMFO-PWSUYJOCSA-N 1 0 390.290 2.909 20 0 GFADRO Cc1cc(Br)c(S(=O)(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)s1 ZINC000266190486 654862017 /nfs/dbraw/zinc/86/20/17/654862017.db2.gz HVMKLJLXJVLXSQ-JTQLQIEISA-N 1 0 379.345 2.582 20 0 GFADRO C[N@@H+]1CC[C@H]2[C@H](CCCN2Cn2c3cc(Br)ccc3oc2=O)C1 ZINC000129282606 654862112 /nfs/dbraw/zinc/86/21/12/654862112.db2.gz ZUZQKQWYRIOLJQ-OCCSQVGLSA-N 1 0 380.286 2.731 20 0 GFADRO C[C@H]1C[C@H](N(C)S(=O)(=O)c2ccc(OCC(F)(F)F)cc2)CC[N@@H+]1C ZINC000266263433 654867253 /nfs/dbraw/zinc/86/72/53/654867253.db2.gz ZYYJOGYRZBWLJI-QWHCGFSZSA-N 1 0 380.432 2.731 20 0 GFADRO O=C(NC[C@H]1CCC[NH2+]C1)c1cc(I)ccc1Cl ZINC000129921522 654877743 /nfs/dbraw/zinc/87/77/43/654877743.db2.gz JRWABOZZQRNITC-VIFPVBQESA-N 1 0 378.641 2.674 20 0 GFADRO CC[N@H+](CCNC(=O)c1ccc(S(=O)(=O)c2ccccc2)s1)C1CC1 ZINC000130470079 654889245 /nfs/dbraw/zinc/88/92/45/654889245.db2.gz DFHDZRHEUNJKRE-UHFFFAOYSA-N 1 0 378.519 2.795 20 0 GFADRO Cc1cc(C)cc(C[NH2+]Cc2ccc(S(=O)(=O)N3CCOCC3)s2)c1 ZINC000065890647 654889696 /nfs/dbraw/zinc/88/96/96/654889696.db2.gz OULWESYHHMTPGT-UHFFFAOYSA-N 1 0 380.535 2.676 20 0 GFADRO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(Cc2ccc(Br)c(F)c2)CC1 ZINC000131222115 654899318 /nfs/dbraw/zinc/89/93/18/654899318.db2.gz JDIDCOIALMIQNR-INIZCTEOSA-N 1 0 384.293 2.502 20 0 GFADRO Cc1ccc(C(=O)N2CCN(CC[NH+]3CCCC3)CC2)cc1Br ZINC000266950248 654900586 /nfs/dbraw/zinc/90/05/86/654900586.db2.gz VCXMGPFBSMTNLI-UHFFFAOYSA-N 1 0 380.330 2.611 20 0 GFADRO Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)[C@H](C)N1CCSCC1 ZINC000131635160 654911909 /nfs/dbraw/zinc/91/19/09/654911909.db2.gz WBQJQRTWHBBUGA-INIZCTEOSA-N 1 0 379.595 2.920 20 0 GFADRO O=C(CCc1ccccc1Br)NCCCC[N@H+]1CCC[C@@H]1CO ZINC000131657239 654912669 /nfs/dbraw/zinc/91/26/69/654912669.db2.gz SAWCLISNAKEFQY-MRXNPFEDSA-N 1 0 383.330 2.735 20 0 GFADRO Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH2+]C[C@@H]1CCCS1(=O)=O ZINC000131732365 654915715 /nfs/dbraw/zinc/91/57/15/654915715.db2.gz UVSXWOJDMLEOEB-INIZCTEOSA-N 1 0 381.929 2.868 20 0 GFADRO NC(=O)[C@H](OC(=O)C1C[NH+](C2CCCCC2)C1)c1cccc(Br)c1 ZINC000838462234 661046523 /nfs/dbraw/zinc/04/65/23/661046523.db2.gz CWKNLCUVYZCXGU-MRXNPFEDSA-N 1 0 395.297 2.783 20 0 GFADRO CC[N@H+](C)CCNC(=O)CCc1nc(-c2cc(Br)cs2)no1 ZINC000066948959 654923329 /nfs/dbraw/zinc/92/33/29/654923329.db2.gz FFZGDOPZZDLEHP-UHFFFAOYSA-N 1 0 387.303 2.561 20 0 GFADRO COCC(C)(C)[NH2+]Cc1cc(I)c(OC)c(OC)c1 ZINC000066995992 654925004 /nfs/dbraw/zinc/92/50/04/654925004.db2.gz PIYCOQILLQGUMT-UHFFFAOYSA-N 1 0 379.238 2.823 20 0 GFADRO C[NH+](C)[C@]1(CNC(=O)N2CCC[C@H]2C[C@@H](O)c2cccs2)CCSC1 ZINC000267525143 654933083 /nfs/dbraw/zinc/93/30/83/654933083.db2.gz RTPQQBNUXGLULC-DAYGRLMNSA-N 1 0 383.583 2.783 20 0 GFADRO OC[C@H]1CC[N@H+](Cc2coc(-c3ccc(I)cc3)n2)C1 ZINC000132347709 654934790 /nfs/dbraw/zinc/93/47/90/654934790.db2.gz BFKFEOGUFSKEDZ-NSHDSACASA-N 1 0 384.217 2.760 20 0 GFADRO O=C(NCC1CC1)[C@H]1CCC[N@@H+](C[C@@H](O)c2ccccc2Br)C1 ZINC000132366300 654935286 /nfs/dbraw/zinc/93/52/86/654935286.db2.gz ZZQKNYWQNHNENH-WMLDXEAASA-N 1 0 381.314 2.721 20 0 GFADRO Cc1nn(C)c(Cl)c1S(=O)(=O)NC[C@@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000067404937 654938179 /nfs/dbraw/zinc/93/81/79/654938179.db2.gz HDIZEDNRGBNUKP-HNNXBMFYSA-N 1 0 388.965 2.705 20 0 GFADRO Cc1[nH]c(=O)c(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1Br ZINC000132602922 654943263 /nfs/dbraw/zinc/94/32/63/654943263.db2.gz FIISWMYYDKROBZ-WBMJQRKESA-N 1 0 394.313 2.947 20 0 GFADRO CC1(C)C[C@@H]([NH2+]Cc2nnnn2-c2ccccc2Br)C(C)(C)O1 ZINC000132614669 654943946 /nfs/dbraw/zinc/94/39/46/654943946.db2.gz ZMIFMQGRYHVICN-CYBMUJFWSA-N 1 0 380.290 2.861 20 0 GFADRO [NH3+]CC[C@@H]1CCN(C(=O)Nc2ccc(F)cc2I)C1 ZINC000926055216 664680112 /nfs/dbraw/zinc/68/01/12/664680112.db2.gz RKRCGQNMQWIHTA-SECBINFHSA-N 1 0 377.201 2.633 20 0 GFADRO COc1cc(Cl)c(C)cc1NC(=O)CC[NH2+]Cc1cc(C(N)=O)cs1 ZINC000133322817 654960622 /nfs/dbraw/zinc/96/06/22/654960622.db2.gz VNIYNDLKPXFOER-UHFFFAOYSA-N 1 0 381.885 2.936 20 0 GFADRO COc1cc(C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)cc(OC)c1Br ZINC000268175284 654961939 /nfs/dbraw/zinc/96/19/39/654961939.db2.gz FOPGGIJHQNMETP-ZWNOBZJWSA-N 1 0 383.286 2.679 20 0 GFADRO CC1(C)CN(C(=O)Nc2ccc(I)cc2F)C[C@@H]1[NH3+] ZINC000926172973 664683889 /nfs/dbraw/zinc/68/38/89/664683889.db2.gz HQBFOLQUIFCNQM-NSHDSACASA-N 1 0 377.201 2.631 20 0 GFADRO Cn1ncc(I)c1C[NH2+][C@@H]1CCOC12CCCCC2 ZINC000926814596 664696861 /nfs/dbraw/zinc/69/68/61/664696861.db2.gz VFZDNACFIQPOHP-CYBMUJFWSA-N 1 0 375.254 2.606 20 0 GFADRO C[N@@H+]1CCC[C@H](CNC(=O)Nc2cccc(F)c2I)C1 ZINC000133569035 654967880 /nfs/dbraw/zinc/96/78/80/654967880.db2.gz FOAGWMPTQFCGLB-SNVBAGLBSA-N 1 0 391.228 2.894 20 0 GFADRO CN(CC1CC[NH+](C)CC1)C(=O)c1cc(I)ccc1F ZINC000268504840 654975295 /nfs/dbraw/zinc/97/52/95/654975295.db2.gz BELFLXSICCNXKQ-UHFFFAOYSA-N 1 0 390.240 2.844 20 0 GFADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc(I)ccc2F)C1 ZINC000268533928 654976966 /nfs/dbraw/zinc/97/69/66/654976966.db2.gz QUBJMSLDYLJRKO-NSHDSACASA-N 1 0 390.240 2.844 20 0 GFADRO O=C(C[NH2+]Cc1ccc(-n2cncn2)cc1)Nc1ccc(Br)cc1 ZINC000069752348 654986445 /nfs/dbraw/zinc/98/64/45/654986445.db2.gz JUPLFMHJZOZILM-UHFFFAOYSA-N 1 0 386.253 2.758 20 0 GFADRO CC(=O)N1CCN(CC[NH2+][C@@H](C)c2cc(Cl)ccc2OC(F)F)CC1 ZINC000268792224 654986796 /nfs/dbraw/zinc/98/67/96/654986796.db2.gz DQSQVYZIFBJTHX-LBPRGKRZSA-N 1 0 375.847 2.756 20 0 GFADRO CC(=O)N1CCN(CC[NH2+][C@H]2CCSc3ccc(Br)cc32)CC1 ZINC000268789939 654986935 /nfs/dbraw/zinc/98/69/35/654986935.db2.gz CXSRBKGQCPYQBA-INIZCTEOSA-N 1 0 398.370 2.740 20 0 GFADRO C[C@@H]([NH2+]CCNC(=O)c1ccc(Cl)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000268796960 654987128 /nfs/dbraw/zinc/98/71/28/654987128.db2.gz FABQPXPIQIKWIC-CYBMUJFWSA-N 1 0 380.897 2.824 20 0 GFADRO OC[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1Nc1ncncc1Br ZINC000268807219 654987410 /nfs/dbraw/zinc/98/74/10/654987410.db2.gz KXKCVAVTGNFNNZ-GDBMZVCRSA-N 1 0 377.286 2.534 20 0 GFADRO Cc1c([C@@H](C)[NH2+]CCCC(=O)N(C)C)nnn1-c1cccc(Br)c1 ZINC000268839527 654988687 /nfs/dbraw/zinc/98/86/87/654988687.db2.gz QJVKMJVBHRAKSH-GFCCVEGCSA-N 1 0 394.317 2.857 20 0 GFADRO COCCCCC[NH+]1CCN(C(=O)COc2ccc(Br)cc2)CC1 ZINC000070017810 654991619 /nfs/dbraw/zinc/99/16/19/654991619.db2.gz XLTOHMSDTZYYFE-UHFFFAOYSA-N 1 0 399.329 2.789 20 0 GFADRO NC(=O)[C@@H]1CCCN1CCC[NH2+][C@H]1CCSc2ccc(Br)cc21 ZINC000268954047 654992606 /nfs/dbraw/zinc/99/26/06/654992606.db2.gz VTOBGBJHEJHPJA-GJZGRUSLSA-N 1 0 398.370 2.915 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000070723922 654994139 /nfs/dbraw/zinc/99/41/39/654994139.db2.gz XWHCPXHOAYCNBD-UHFFFAOYSA-N 1 0 382.302 2.687 20 0 GFADRO Cc1nc(-c2ccc(Cl)s2)sc1C(=O)NCCN1CC[NH+](C)CC1 ZINC000070883448 654996412 /nfs/dbraw/zinc/99/64/12/654996412.db2.gz QLEPQUMKVRVGDX-UHFFFAOYSA-N 1 0 384.958 2.811 20 0 GFADRO C[C@@H](CCS(C)(=O)=O)[NH2+]Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000134574452 654996634 /nfs/dbraw/zinc/99/66/34/654996634.db2.gz YMAVDSNGNLPNMH-LBPRGKRZSA-N 1 0 375.416 2.804 20 0 GFADRO C[C@@H]1CN(C(=O)[C@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)CC[C@@H]1[NH3+] ZINC000269200921 655001470 /nfs/dbraw/zinc/00/14/70/655001470.db2.gz KGBHBJAVVZETBW-XFBWCDHKSA-N 1 0 384.307 2.794 20 0 GFADRO C[C@H](NC(=O)COc1ccc(Br)cc1Cl)[C@H]1CCC[NH2+]C1 ZINC000269204993 655001626 /nfs/dbraw/zinc/00/16/26/655001626.db2.gz NMQNQMUZTWNDAF-QWRGUYRKSA-N 1 0 375.694 2.986 20 0 GFADRO Brc1cnc(CN[C@H]2CC[N@@H+](C3CC3)C2)c(Br)c1 ZINC000135298965 655013366 /nfs/dbraw/zinc/01/33/66/655013366.db2.gz SNNAJIVLLSYCRZ-JTQLQIEISA-N 1 0 375.108 2.933 20 0 GFADRO C[C@@H]1CN(C(=O)[C@H]2CCCN2C(=O)c2ccc(Cl)c(Cl)c2)CC[C@@H]1[NH3+] ZINC000269293463 655004375 /nfs/dbraw/zinc/00/43/75/655004375.db2.gz VHSFGVRFSMHRNR-XFBWCDHKSA-N 1 0 384.307 2.794 20 0 GFADRO O=C(CN1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)Nc1ccc(Br)cn1 ZINC000134943526 655006569 /nfs/dbraw/zinc/00/65/69/655006569.db2.gz UMPADCMYBYSOOE-CZUORRHYSA-N 1 0 393.329 2.731 20 0 GFADRO C[N@@H+]1CCC[C@H]2CN(S(=O)(=O)c3cc(F)ccc3Br)CC[C@@H]21 ZINC000269377984 655007755 /nfs/dbraw/zinc/00/77/55/655007755.db2.gz WGPQZNFAINSFEQ-FZMZJTMJSA-N 1 0 391.306 2.693 20 0 GFADRO CC[NH+]1CCN(CC(C)(C)NC(=O)NCC[C@]2(C)CC2(Cl)Cl)CC1 ZINC000838683095 661054265 /nfs/dbraw/zinc/05/42/65/661054265.db2.gz OFAKHODSXBEVEN-MRXNPFEDSA-N 1 0 379.376 2.676 20 0 GFADRO C[C@@H]1CN(C(=O)NCC[C@@]2(C)CC2(Cl)Cl)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000838687591 661054532 /nfs/dbraw/zinc/05/45/32/661054532.db2.gz RKCCFOGNVAIXQG-VYDXJSESSA-N 1 0 391.387 2.628 20 0 GFADRO O=S1(=O)CCC[C@H]1C[NH2+]Cc1ccc(OC(F)F)c(Br)c1 ZINC000092567382 655014385 /nfs/dbraw/zinc/01/43/85/655014385.db2.gz BZWCTNRVAJLLLU-JTQLQIEISA-N 1 0 384.242 2.717 20 0 GFADRO O=S(=O)(C(F)F)N1CCC(C[NH2+][C@H]2CCc3c2c(F)ccc3F)CC1 ZINC000269798802 655022139 /nfs/dbraw/zinc/02/21/39/655022139.db2.gz CNPQEAJOWBKDDX-AWEZNQCLSA-N 1 0 380.407 2.806 20 0 GFADRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1cnn2cc(Br)cnc12 ZINC000094041211 655026738 /nfs/dbraw/zinc/02/67/38/655026738.db2.gz JDHIXJKRXVHYOY-JHJVBQTASA-N 1 0 394.317 2.588 20 0 GFADRO C[NH+](C)CCN(Cc1ccccn1)C(=O)c1ccc(Br)cc1O ZINC000094124722 655027802 /nfs/dbraw/zinc/02/78/02/655027802.db2.gz PEPANOOLJPKWSJ-UHFFFAOYSA-N 1 0 378.270 2.754 20 0 GFADRO CC[NH+]1CCN(C[C@@H](C)CNS(=O)(=O)/C=C/c2ccc(Cl)cc2)CC1 ZINC000096999674 655033056 /nfs/dbraw/zinc/03/30/56/655033056.db2.gz WZIHDXRJQUXUGJ-OIQJVACTSA-N 1 0 385.961 2.504 20 0 GFADRO C[NH+](C)CCn1cc(NC(=O)CCc2ccccc2Br)ccc1=O ZINC000270231236 655038008 /nfs/dbraw/zinc/03/80/08/655038008.db2.gz NYOIOCBHFPHXFT-UHFFFAOYSA-N 1 0 392.297 2.744 20 0 GFADRO O=S(=O)(Cc1ccc(F)c(Cl)c1)NCC1([NH+]2CCCC2)CCOCC1 ZINC000270237295 655038188 /nfs/dbraw/zinc/03/81/88/655038188.db2.gz WCBVGKSUJTVMQR-UHFFFAOYSA-N 1 0 390.908 2.544 20 0 GFADRO Cn1cc([C@H](O)C[C@@H]2CCC[N@@H+]2Cc2cccc(O)c2Br)cn1 ZINC000838866257 661060574 /nfs/dbraw/zinc/06/05/74/661060574.db2.gz ZFTTYZMURRMEDT-GOEBONIOSA-N 1 0 380.286 2.976 20 0 GFADRO C[NH+](C)CCn1cc(NC(=O)c2cc(F)ccc2Br)ccc1=O ZINC000270262762 655039119 /nfs/dbraw/zinc/03/91/19/655039119.db2.gz RYLVYOHXTDEAOS-UHFFFAOYSA-N 1 0 382.233 2.564 20 0 GFADRO [NH3+][C@H](CNC(=O)c1cccc(NC(=O)c2ccc(Br)o2)c1)C1CC1 ZINC000137498671 655040700 /nfs/dbraw/zinc/04/07/00/655040700.db2.gz KXEJZSCSUIPKNH-CYBMUJFWSA-N 1 0 392.253 2.762 20 0 GFADRO CC(C)[N@H+](C)CC(=O)NCC1(c2ccc(Br)cc2)CCOCC1 ZINC000101532898 655042714 /nfs/dbraw/zinc/04/27/14/655042714.db2.gz JNUMVPLHBCJHQP-UHFFFAOYSA-N 1 0 383.330 2.954 20 0 GFADRO CCCN1C(=O)C(=O)N(C[NH2+]C2(c3ccc(Br)cc3)CCC2)C1=O ZINC000101536112 655042975 /nfs/dbraw/zinc/04/29/75/655042975.db2.gz BPUGUTATKUCWFE-UHFFFAOYSA-N 1 0 394.269 2.576 20 0 GFADRO Cc1cc(C[NH+](C)C)cc(NC(=O)Cn2cc(Br)ccc2=O)c1 ZINC000270409160 655043606 /nfs/dbraw/zinc/04/36/06/655043606.db2.gz YYSDORMUSXHQOT-UHFFFAOYSA-N 1 0 378.270 2.620 20 0 GFADRO CCC[N@@H+]1CC[C@H](CNC(=O)NCc2ccc(OC)c(Br)c2)C1 ZINC000101749232 655046914 /nfs/dbraw/zinc/04/69/14/655046914.db2.gz WPSKJUPDSWYODB-CQSZACIVSA-N 1 0 384.318 2.989 20 0 GFADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)Nc1ccccc1Br ZINC000102050815 655049998 /nfs/dbraw/zinc/04/99/98/655049998.db2.gz RFNOXVOPWQRHIB-HNNXBMFYSA-N 1 0 397.317 2.513 20 0 GFADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)Nc1ccccc1Br ZINC000102050821 655050088 /nfs/dbraw/zinc/05/00/88/655050088.db2.gz RFNOXVOPWQRHIB-OAHLLOKOSA-N 1 0 397.317 2.513 20 0 GFADRO CS[C@H]1CN(Cc2nnc(-c3ccccc3Br)o2)C[C@H]1[NH+](C)C ZINC000270626662 655051278 /nfs/dbraw/zinc/05/12/78/655051278.db2.gz FQROKZKUJALMLL-KGLIPLIRSA-N 1 0 397.342 2.977 20 0 GFADRO C[C@H]1C[NH+](CC2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)C[C@H](C)O1 ZINC000102661251 655057661 /nfs/dbraw/zinc/05/76/61/655057661.db2.gz HMKKSIXZGSOERS-STQMWFEESA-N 1 0 392.974 2.911 20 0 GFADRO C[C@H](CBr)CN(C)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000152758355 655061563 /nfs/dbraw/zinc/06/15/63/655061563.db2.gz LKDHRBJGWDWAEJ-SKDRFNHKSA-N 1 0 378.108 2.938 20 0 GFADRO O=C(N[C@H](CO)c1ccc(Br)cc1)NC1CC[NH+](CC2CC2)CC1 ZINC000271104607 655066871 /nfs/dbraw/zinc/06/68/71/655066871.db2.gz ZLNGDFXZHYKOLH-QGZVFWFLSA-N 1 0 396.329 2.656 20 0 GFADRO Cc1ccc(-n2nc(Br)cc2C(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)cc1 ZINC000153589858 655068488 /nfs/dbraw/zinc/06/84/88/655068488.db2.gz FIYUPXLHNIZUQN-BETUJISGSA-N 1 0 377.286 2.766 20 0 GFADRO Cc1csc(C2CC[NH+](CCC(=O)Nc3sccc3C(N)=O)CC2)n1 ZINC000103472868 655072988 /nfs/dbraw/zinc/07/29/88/655072988.db2.gz KBMPDGVGICOPTI-UHFFFAOYSA-N 1 0 378.523 2.820 20 0 GFADRO O=C(NCC1CC1)[C@H]1CCC[N@@H+](C[C@@H](O)c2ccc(Br)cc2)C1 ZINC000103467324 655073109 /nfs/dbraw/zinc/07/31/09/655073109.db2.gz RNPHJQJLTHFBNO-DOTOQJQBSA-N 1 0 381.314 2.721 20 0 GFADRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)NNC(=O)c1ccccc1Br ZINC000154102471 655073433 /nfs/dbraw/zinc/07/34/33/655073433.db2.gz QEEPGUSYKWQRLO-ZDUSSCGKSA-N 1 0 397.317 2.658 20 0 GFADRO NC(=O)CCC1CC[NH+](Cc2nnc(-c3ccccc3Br)o2)CC1 ZINC000271278137 655074141 /nfs/dbraw/zinc/07/41/41/655074141.db2.gz YWAGYLZQLXQEOJ-UHFFFAOYSA-N 1 0 393.285 2.977 20 0 GFADRO COCCc1nc(C)c([C@H](C)[NH2+]Cc2ccc(NS(C)(=O)=O)cc2)s1 ZINC000271379931 655078668 /nfs/dbraw/zinc/07/86/68/655078668.db2.gz QTTUZUJMFVXMPX-LBPRGKRZSA-N 1 0 383.539 2.863 20 0 GFADRO COCc1nc2n(n1)C[C@H]([NH2+][C@H]1CCc3c1cc(Br)cc3F)CC2 ZINC000271456810 655082033 /nfs/dbraw/zinc/08/20/33/655082033.db2.gz GVOBSFKMXJMCFH-ABAIWWIYSA-N 1 0 395.276 2.918 20 0 GFADRO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+][C@@H]2CCOC3(CCSCC3)C2)c1 ZINC000271523979 655083919 /nfs/dbraw/zinc/08/39/19/655083919.db2.gz PURCKKIPGVXZBI-GDBMZVCRSA-N 1 0 384.567 2.690 20 0 GFADRO C[NH+]1CCN(Cc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2)CC1 ZINC000105090388 655089020 /nfs/dbraw/zinc/08/90/20/655089020.db2.gz GRLVKLKEDXNMQC-UHFFFAOYSA-N 1 0 379.913 2.888 20 0 GFADRO CC[N@@H+]1CCC[C@@H](CNC(=O)NCc2cn3cc(Br)ccc3n2)C1 ZINC000105172394 655089272 /nfs/dbraw/zinc/08/92/72/655089272.db2.gz PKSHYVJTQGEJOY-ZDUSSCGKSA-N 1 0 394.317 2.628 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)Nc2ccc(Br)cc2)CC1=O ZINC000105317430 655090474 /nfs/dbraw/zinc/09/04/74/655090474.db2.gz MADIHLMGNXCTRL-CZUORRHYSA-N 1 0 394.313 2.720 20 0 GFADRO CC[N@@H+]1CCCN(C(=O)Nc2cc3c(cc2Br)OCCO3)CC1 ZINC000105351498 655091009 /nfs/dbraw/zinc/09/10/09/655091009.db2.gz TXZOLQMPXVZGAS-UHFFFAOYSA-N 1 0 384.274 2.780 20 0 GFADRO CS(=O)(=O)C[C@H]([NH2+]C[C@H](O)c1ccc(Br)cc1)c1ccccc1 ZINC000271780471 655094412 /nfs/dbraw/zinc/09/44/12/655094412.db2.gz KUKVZRLCZWXTFR-IRXDYDNUSA-N 1 0 398.322 2.858 20 0 GFADRO CC(=O)N(C)C1CC[NH+](Cn2ccc(=O)c3cccc(Br)c32)CC1 ZINC000105604571 655095801 /nfs/dbraw/zinc/09/58/01/655095801.db2.gz VGTMWKDJIPMDSH-UHFFFAOYSA-N 1 0 392.297 2.664 20 0 GFADRO CS(=O)(=O)CCN(CCC(=O)Nc1c(Cl)cccc1Cl)C1CC1 ZINC000157082772 655098361 /nfs/dbraw/zinc/09/83/61/655098361.db2.gz DNLHXKOISJSSQT-UHFFFAOYSA-N 1 0 379.309 2.831 20 0 GFADRO CCS(=O)(=O)c1ccc(C[NH2+][C@@H](C)c2ccc(S(C)(=O)=O)cc2)cc1 ZINC000271974828 655099773 /nfs/dbraw/zinc/09/97/73/655099773.db2.gz GJTBMKNDQDRTQH-AWEZNQCLSA-N 1 0 381.519 2.735 20 0 GFADRO COCC[N@@H+](Cc1c(C)nn(C)c1C)C[C@H](O)c1ccccc1Br ZINC000839125806 661072640 /nfs/dbraw/zinc/07/26/40/661072640.db2.gz MJCIVXRAZMQKIW-SFHVURJKSA-N 1 0 396.329 2.981 20 0 GFADRO CS[C@H]1CN(Cc2nnc(-c3ccc(Br)o3)o2)C[C@@H]1[NH+](C)C ZINC000271989045 655100180 /nfs/dbraw/zinc/10/01/80/655100180.db2.gz GAECXAGMQQKQGJ-ONGXEEELSA-N 1 0 387.303 2.570 20 0 GFADRO C[N@H+]1CC=C(CNC(=O)N[C@@H]2CCOc3ccc(Br)cc32)CC1 ZINC000272089195 655102295 /nfs/dbraw/zinc/10/22/95/655102295.db2.gz MVBORIVBMMOVJZ-OAHLLOKOSA-N 1 0 380.286 2.834 20 0 GFADRO COc1cc(Br)c(CN2CCC(C[NH+]3CCOCC3)CC2)cc1O ZINC000272211296 655105867 /nfs/dbraw/zinc/10/58/67/655105867.db2.gz AJBLKBVXMQDGSL-UHFFFAOYSA-N 1 0 399.329 2.708 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCN(C(=O)[C@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)C1 ZINC000272228014 655106404 /nfs/dbraw/zinc/10/64/04/655106404.db2.gz JKSVDWWGCCFUAP-MQIPJXDCSA-N 1 0 384.307 2.794 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)[C@H]2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)C1 ZINC000272266951 655107491 /nfs/dbraw/zinc/10/74/91/655107491.db2.gz NHPIVFXMDPQVPR-HWWQOWPSSA-N 1 0 384.307 2.794 20 0 GFADRO CN1CCC([N@H+](CCO)Cc2ccc(Br)c3cccnc23)CC1 ZINC000272301690 655108566 /nfs/dbraw/zinc/10/85/66/655108566.db2.gz PTPMDVYRFYZAEL-UHFFFAOYSA-N 1 0 378.314 2.886 20 0 GFADRO CC(C)(COc1ncccc1Br)[NH2+]Cc1nnc2n1CCCC2 ZINC000272362471 655110111 /nfs/dbraw/zinc/11/01/11/655110111.db2.gz NMVGTPASQMRAQA-UHFFFAOYSA-N 1 0 380.290 2.719 20 0 GFADRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(Cc2cccc(Br)n2)CC1 ZINC000272390477 655111062 /nfs/dbraw/zinc/11/10/62/655111062.db2.gz HDBFHCMBERUVOZ-HOTGVXAUSA-N 1 0 381.362 2.835 20 0 GFADRO C[N@@H+]1CCCN(C(=O)Nc2ccc(F)cc2I)CC1 ZINC000272411688 655111762 /nfs/dbraw/zinc/11/17/62/655111762.db2.gz ZPPFUOPBWZUGFR-UHFFFAOYSA-N 1 0 377.201 2.600 20 0 GFADRO O=S(=O)(N[C@H]1CC[N@@H+](C2CCCC2)C1)c1cccc(OC(F)(F)F)c1 ZINC000106891267 655113209 /nfs/dbraw/zinc/11/32/09/655113209.db2.gz PAAHEBHIIIPBLU-LBPRGKRZSA-N 1 0 378.416 2.880 20 0 GFADRO O=S(=O)(N[C@@H]1CC[N@@H+](C2CCCC2)C1)c1ccc(Br)s1 ZINC000106891789 655113400 /nfs/dbraw/zinc/11/34/00/655113400.db2.gz ADFWSMLCOTXMTC-SNVBAGLBSA-N 1 0 379.345 2.806 20 0 GFADRO CC(C)[C@@H](C(=O)N[C@H](C)c1cc2c(cc1Br)OCCO2)[NH+](C)C ZINC000106909123 655114467 /nfs/dbraw/zinc/11/44/67/655114467.db2.gz MNBMUMSTMZEYMU-BZNIZROVSA-N 1 0 385.302 2.984 20 0 GFADRO C[C@H](C1CC[NH+](C)CC1)N(C)S(=O)(=O)c1sccc1Br ZINC000272588020 655117028 /nfs/dbraw/zinc/11/70/28/655117028.db2.gz WABNEEBEXQXZID-SNVBAGLBSA-N 1 0 381.361 2.861 20 0 GFADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)C[C@H]3Sc4ccc(Cl)cc4NC3=O)[C@H]2C1 ZINC000272620378 655117573 /nfs/dbraw/zinc/11/75/73/655117573.db2.gz LTBVZRPTNLTJBU-DIOULYMOSA-N 1 0 379.913 2.696 20 0 GFADRO C[C@@H]([NH2+]C1CCN(CCS(C)(=O)=O)CC1)c1cccc(C(F)(F)F)c1 ZINC000159972572 655118137 /nfs/dbraw/zinc/11/81/37/655118137.db2.gz HNIKEOUKQKVYKJ-CYBMUJFWSA-N 1 0 378.460 2.865 20 0 GFADRO Cc1ccc(NC(=O)C(=O)NCC2(C)CC[NH+](C)CC2)c(Br)c1 ZINC000272658648 655118348 /nfs/dbraw/zinc/11/83/48/655118348.db2.gz ICFIERTXSTXYKQ-UHFFFAOYSA-N 1 0 382.302 2.544 20 0 GFADRO O=C(c1csc(I)c1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000107540153 655121992 /nfs/dbraw/zinc/12/19/92/655121992.db2.gz RPTFRJYTZJUSJU-UHFFFAOYSA-N 1 0 399.257 2.710 20 0 GFADRO C[N@@H+]1CCCC[C@@H]1CN1CCN(Cn2ncc(Br)c2C2CC2)CC1 ZINC000160510186 655122734 /nfs/dbraw/zinc/12/27/34/655122734.db2.gz BUPMFEFPABVSRH-MRXNPFEDSA-N 1 0 396.377 2.582 20 0 GFADRO CCOc1cc(Br)c(CC(=O)NC[C@H]2CC[NH2+]C2)cc1OCC ZINC000273065404 655129126 /nfs/dbraw/zinc/12/91/26/655129126.db2.gz ULRSNAYSWPASBB-LBPRGKRZSA-N 1 0 385.302 2.515 20 0 GFADRO C[C@H](CNC(=O)C[C@H]1Sc2ccc(Cl)cc2NC1=O)C[NH+]1CCCC1 ZINC000108453107 655132856 /nfs/dbraw/zinc/13/28/56/655132856.db2.gz DBYGLEKFUSYRMH-MLGOLLRUSA-N 1 0 381.929 2.991 20 0 GFADRO C[NH+]1CCC(CC(=O)NC[C@H](O)COc2cccc(Cl)c2Cl)CC1 ZINC000273184328 655134213 /nfs/dbraw/zinc/13/42/13/655134213.db2.gz HOPYOOZLVYNBBN-ZDUSSCGKSA-N 1 0 375.296 2.581 20 0 GFADRO C[C@@H]([NH2+][C@H](C)c1cnn(C)c1)C(=O)Nc1cccc(I)c1 ZINC000273278593 655137760 /nfs/dbraw/zinc/13/77/60/655137760.db2.gz HZWAWTMOPHBVGC-GHMZBOCLSA-N 1 0 398.248 2.703 20 0 GFADRO CC[N@H+](CC[C@H]1CCN(C(=O)OC(C)(C)C)C1)[C@H](C)CS(=O)(=O)CC ZINC000839493870 661087150 /nfs/dbraw/zinc/08/71/50/661087150.db2.gz YMCDNSHKTPNYPL-CVEARBPZSA-N 1 0 376.563 2.779 20 0 GFADRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)CCS(=O)(=O)c1ccc(Cl)cc1 ZINC000273302798 655138637 /nfs/dbraw/zinc/13/86/37/655138637.db2.gz RVINOPIBXOQCFU-CQSZACIVSA-N 1 0 386.945 2.693 20 0 GFADRO CCc1nc(C)c([C@@H](C)[NH2+]C2CCN(S(=O)(=O)C(F)(F)F)CC2)s1 ZINC000168057807 655143012 /nfs/dbraw/zinc/14/30/12/655143012.db2.gz WFYIHCKCCIXQCH-SECBINFHSA-N 1 0 385.477 2.979 20 0 GFADRO COc1ccccc1CNC(=[NH2+])NCc1cc2c(c(Br)c1)OCO2 ZINC000170910593 655147029 /nfs/dbraw/zinc/14/70/29/655147029.db2.gz KBWQKQSAJNVXHN-UHFFFAOYSA-N 1 0 392.253 2.791 20 0 GFADRO O[C@H](COc1c(Cl)cccc1Cl)C[N@@H+]1CCC[C@H](C2OCCO2)C1 ZINC000171143355 655149152 /nfs/dbraw/zinc/14/91/52/655149152.db2.gz UBVKYPHMRFQOEI-STQMWFEESA-N 1 0 376.280 2.818 20 0 GFADRO C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)C1 ZINC000109848977 655153602 /nfs/dbraw/zinc/15/36/02/655153602.db2.gz WHZMSAWQLLHOTB-LRDDRELGSA-N 1 0 384.307 2.666 20 0 GFADRO CC[NH+](CC)CC[C@@H](CO)NC(=O)Nc1ccc(SC(F)(F)F)nc1 ZINC000839178169 661074874 /nfs/dbraw/zinc/07/48/74/661074874.db2.gz ZPUSNHOYUHKTMX-LBPRGKRZSA-N 1 0 380.436 2.908 20 0 GFADRO CS[C@H]1CN(C(=O)Nc2nnc(/C=C/c3ccco3)s2)C[C@H]1[NH+](C)C ZINC000273855454 655160985 /nfs/dbraw/zinc/16/09/85/655160985.db2.gz NUWXTQYYIGWZIF-VWWYUBIBSA-N 1 0 379.511 2.811 20 0 GFADRO C[N@H+](CCNC(=O)COc1ccc(C=O)cc1Br)C1CCCC1 ZINC000173083026 655162653 /nfs/dbraw/zinc/16/26/53/655162653.db2.gz NDTACMHCGBMGJO-UHFFFAOYSA-N 1 0 383.286 2.631 20 0 GFADRO C[C@@H]1C[C@H](N(C)S(=O)(=O)c2ccc(F)cc2Br)CC[N@@H+]1C ZINC000173269213 655166062 /nfs/dbraw/zinc/16/60/62/655166062.db2.gz XKOXQGRIYJQJQD-ZYHUDNBSSA-N 1 0 379.295 2.691 20 0 GFADRO CC[NH+](CC)CCN(CCOC)C(=O)c1cnc(Cl)c(Br)c1 ZINC000839278024 661077662 /nfs/dbraw/zinc/07/76/62/661077662.db2.gz YKOGMDGLTJQYOI-UHFFFAOYSA-N 1 0 392.725 2.928 20 0 GFADRO C[C@@H]([NH2+]Cc1ccc(C(=O)NCC(N)=O)cc1)c1cccc(Br)c1 ZINC000173328202 655168740 /nfs/dbraw/zinc/16/87/40/655168740.db2.gz FGIMZFIKOQQQOM-GFCCVEGCSA-N 1 0 390.281 2.515 20 0 GFADRO C[C@@H](CNC(=O)/C=C/c1cc(Br)cs1)C[NH+]1CCN(C)CC1 ZINC000173402828 655170120 /nfs/dbraw/zinc/17/01/20/655170120.db2.gz SLGIEBBLBXUXEY-OOPCZODUSA-N 1 0 386.359 2.524 20 0 GFADRO COc1c(C[NH2+][C@@H]2CCN(c3cccc(Br)c3)C2)c(C)nn1C ZINC000274053370 655170873 /nfs/dbraw/zinc/17/08/73/655170873.db2.gz LOERPHFCQIWZHU-CQSZACIVSA-N 1 0 379.302 2.868 20 0 GFADRO C[C@H]1C[C@H](N(C)C(=O)COc2ccc(C=O)cc2Br)CC[N@@H+]1C ZINC000173748201 655179470 /nfs/dbraw/zinc/17/94/70/655179470.db2.gz WCTHOWMXKYYTTN-GXTWGEPZSA-N 1 0 383.286 2.582 20 0 GFADRO CC(=O)NC1CCC([NH2+]CCc2cn3cc(Br)cc(C)c3n2)CC1 ZINC000274225045 655180363 /nfs/dbraw/zinc/18/03/63/655180363.db2.gz RBALEORYOJFMEV-UHFFFAOYSA-N 1 0 393.329 2.985 20 0 GFADRO CN(C(=O)c1cnn(C)c1Br)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274285352 655183669 /nfs/dbraw/zinc/18/36/69/655183669.db2.gz ZNFPEIGKBIWNCD-CQSZACIVSA-N 1 0 377.286 2.529 20 0 GFADRO CC[NH+](CC)C[C@H]1CCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)C1 ZINC000173917420 655185369 /nfs/dbraw/zinc/18/53/69/655185369.db2.gz HHZUECBBHYHFEO-CYBMUJFWSA-N 1 0 380.432 2.938 20 0 GFADRO C[NH+](C)CCn1ccc(NC(=O)NCCc2ccc(Br)s2)n1 ZINC000173926042 655185963 /nfs/dbraw/zinc/18/59/63/655185963.db2.gz WMYAROFPRKSWCX-UHFFFAOYSA-N 1 0 386.319 2.633 20 0 GFADRO C[C@@H]([NH2+]CCCOc1cccc(I)c1)c1nncn1C ZINC000274423027 655187815 /nfs/dbraw/zinc/18/78/15/655187815.db2.gz YOBBDHIQMRQYJT-LLVKDONJSA-N 1 0 386.237 2.539 20 0 GFADRO CC[N@H+](Cc1cc(=O)n2nccc2[nH]1)Cc1cc(Br)ccc1O ZINC000173992921 655188521 /nfs/dbraw/zinc/18/85/21/655188521.db2.gz DXAPWSCBZLMQTB-UHFFFAOYSA-N 1 0 377.242 2.513 20 0 GFADRO CCCC[N@H+](C)CCNC(=O)CN1C(=S)N=NC1c1ccc(Cl)cc1 ZINC000112401344 655190813 /nfs/dbraw/zinc/19/08/13/655190813.db2.gz FNUYZLCDVBIRBJ-UHFFFAOYSA-N 1 0 381.933 2.735 20 0 GFADRO CC[NH+](CC)[C@@H]1CCN(CC(=O)N(C)Cc2ccccc2Br)C1 ZINC000174299773 655198212 /nfs/dbraw/zinc/19/82/12/655198212.db2.gz FDSRROIKXHPZOU-MRXNPFEDSA-N 1 0 382.346 2.824 20 0 GFADRO COc1ccc(C[N@H+](C)CCC(=O)Nc2sccc2C(N)=O)cc1Cl ZINC000839660477 661098928 /nfs/dbraw/zinc/09/89/28/661098928.db2.gz HOSRLZHCPMVBKF-UHFFFAOYSA-N 1 0 381.885 2.970 20 0 GFADRO O=C(CC[N@H+]1CC[C@@](O)(C(F)(F)F)C1)Nc1ccc(Br)cc1 ZINC000174749804 655207328 /nfs/dbraw/zinc/20/73/28/655207328.db2.gz GABGGCCRFVKBOR-ZDUSSCGKSA-N 1 0 381.192 2.777 20 0 GFADRO CC[NH+](CC)CCSCC(=O)N1CCC(NC(=O)c2ccsc2)CC1 ZINC000174757182 655207934 /nfs/dbraw/zinc/20/79/34/655207934.db2.gz JYLGOKCHJXUWAF-UHFFFAOYSA-N 1 0 383.583 2.544 20 0 GFADRO O=C(Cc1ccc(F)cc1Br)NCC1([NH+]2CCCC2)CCOCC1 ZINC000274946577 655208424 /nfs/dbraw/zinc/20/84/24/655208424.db2.gz ATHCFZXUWXXWIZ-UHFFFAOYSA-N 1 0 399.304 2.892 20 0 GFADRO C[NH+](C)C[C@@H]1CCN(C(=O)C2(c3ccc(Br)cc3)CCOCC2)C1 ZINC000113454876 655210571 /nfs/dbraw/zinc/21/05/71/655210571.db2.gz YFJBJTZUYZCLCK-HNNXBMFYSA-N 1 0 395.341 2.907 20 0 GFADRO C[C@@H](C(=O)Nc1ccc(Cl)cc1)[N@@H+]1CC[C@H](C(=O)NCC(F)(F)F)C1 ZINC000275074119 655215086 /nfs/dbraw/zinc/21/50/86/655215086.db2.gz BIMXKBCMVUIFDU-QWRGUYRKSA-N 1 0 377.794 2.667 20 0 GFADRO O=C(Nc1ccc(C[NH+]2CCCC2)cc1)c1c[nH]c(=O)c(Br)c1 ZINC000175198460 655215493 /nfs/dbraw/zinc/21/54/93/655215493.db2.gz QPDZOQZGRORQFI-UHFFFAOYSA-N 1 0 376.254 2.986 20 0 GFADRO C[NH+](C)C1(CNC(=O)c2cc3ccc(Br)cc3[nH]2)CCOCC1 ZINC000113990854 655216889 /nfs/dbraw/zinc/21/68/89/655216889.db2.gz YVSKHJVTWFVTAI-UHFFFAOYSA-N 1 0 380.286 2.771 20 0 GFADRO Cn1ccnc1Sc1ncc(C(=O)N2CC[C@H](C[NH+](C)C)C2)cc1Cl ZINC000114399279 655223345 /nfs/dbraw/zinc/22/33/45/655223345.db2.gz CFPUDWDRUVFSOA-GFCCVEGCSA-N 1 0 379.917 2.643 20 0 GFADRO O=C([C@@H]1C[C@H]1c1ccc(Br)cc1)N1CC[NH+](C2CCOCC2)CC1 ZINC000175837287 655227909 /nfs/dbraw/zinc/22/79/09/655227909.db2.gz ZQUQGLMWTCCDRT-ZWKOTPCHSA-N 1 0 393.325 2.876 20 0 GFADRO C[C@@H]([NH2+]C[C@@H]1CCn2ncc(C(N)=O)c2C1)c1ccccc1Br ZINC000275365961 655232124 /nfs/dbraw/zinc/23/21/24/655232124.db2.gz BNMZTSISQKMPEA-VXGBXAGGSA-N 1 0 377.286 2.658 20 0 GFADRO C[C@H](CC[NH+](C)C)NC(=O)C(=O)Nc1cccnc1-c1ccc(Cl)s1 ZINC000275435486 655236045 /nfs/dbraw/zinc/23/60/45/655236045.db2.gz FWQNTGWYGFHYLJ-LLVKDONJSA-N 1 0 380.901 2.858 20 0 GFADRO O=C(c1cc(I)c[nH]1)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000115360535 655236110 /nfs/dbraw/zinc/23/61/10/655236110.db2.gz HOVXTGCYLTYQCC-CYBMUJFWSA-N 1 0 387.265 2.710 20 0 GFADRO C[NH+](C)C1(CNC(=O)C(=O)Nc2ccsc2Cl)Cc2ccccc2C1 ZINC000275447535 655236672 /nfs/dbraw/zinc/23/66/72/655236672.db2.gz LJDZZKIRGOZRIH-UHFFFAOYSA-N 1 0 377.897 2.555 20 0 GFADRO CSc1nnc(CNC(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)s1 ZINC000275544255 655241065 /nfs/dbraw/zinc/24/10/65/655241065.db2.gz ZMOLUIJXPWCGME-JSGCOSHPSA-N 1 0 377.539 2.580 20 0 GFADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)/C=C/c3csc(Br)c3)C2)CC1 ZINC000116194387 655245867 /nfs/dbraw/zinc/24/58/67/655245867.db2.gz MORRZQHDZFOIKR-NHZBNJEXSA-N 1 0 398.370 2.762 20 0 GFADRO Cn1ccnc1Sc1ncc(C(=O)NCC(C)(C)C[NH+](C)C)cc1Cl ZINC000116610001 655250375 /nfs/dbraw/zinc/25/03/75/655250375.db2.gz VZZXYKORDOUTNB-UHFFFAOYSA-N 1 0 381.933 2.937 20 0 GFADRO COc1ccc(C[NH2+]C2CCN(c3cc(C)[nH]n3)CC2)c(Br)c1O ZINC000275774714 655250522 /nfs/dbraw/zinc/25/05/22/655250522.db2.gz AXMREBFNKPHQED-UHFFFAOYSA-N 1 0 395.301 2.953 20 0 GFADRO CC[NH+]1CCC(NS(=O)(=O)c2cc(C)c(Br)cc2C)CC1 ZINC000116709737 655251482 /nfs/dbraw/zinc/25/14/82/655251482.db2.gz UGXBTRMHYLDFJY-UHFFFAOYSA-N 1 0 375.332 2.829 20 0 GFADRO COCCC[N@H+](CCO)Cc1cc(Br)c(OC(F)F)c(OC)c1 ZINC000275969237 655257056 /nfs/dbraw/zinc/25/70/56/655257056.db2.gz LIMQMIICPAFZFW-UHFFFAOYSA-N 1 0 398.244 2.890 20 0 GFADRO CCS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cc(C[NH+](C)C)ccn2)c1 ZINC000176933576 655262360 /nfs/dbraw/zinc/26/23/60/655262360.db2.gz HONZPZUMWFNMGE-UHFFFAOYSA-N 1 0 381.885 2.843 20 0 GFADRO CS(=O)(=O)N[C@@H]1CCC[N@H+](CC/C=C/c2ccc(Br)cc2)C1 ZINC000117335487 655264485 /nfs/dbraw/zinc/26/44/85/655264485.db2.gz BEAFPCBNANGYFU-OUGHUQCRSA-N 1 0 387.343 2.866 20 0 GFADRO C[NH+](C)C1CCN(C(=O)c2nn(-c3ccc(F)cc3)cc2Br)CC1 ZINC000117796941 655267920 /nfs/dbraw/zinc/26/79/20/655267920.db2.gz ORPRKVKLCXTCDS-UHFFFAOYSA-N 1 0 395.276 2.940 20 0 GFADRO C[NH+](C)C1CCN(CCNC(=O)/C=C/c2ccc(Br)s2)CC1 ZINC000177117960 655269046 /nfs/dbraw/zinc/26/90/46/655269046.db2.gz YQYUYCNABRSZFQ-GQCTYLIASA-N 1 0 386.359 2.666 20 0 GFADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)Nc1ccc(OC)cc1Br ZINC000118019088 655271121 /nfs/dbraw/zinc/27/11/21/655271121.db2.gz XMEXEEQXTGEEKW-GFCCVEGCSA-N 1 0 386.290 2.690 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000118096719 655271640 /nfs/dbraw/zinc/27/16/40/655271640.db2.gz PTRWZUPZOAOINS-LLVKDONJSA-N 1 0 377.794 2.898 20 0 GFADRO C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000177531653 655279901 /nfs/dbraw/zinc/27/99/01/655279901.db2.gz PDPQFTRRCVPQBY-LLVKDONJSA-N 1 0 377.794 2.850 20 0 GFADRO O=C(NCCC[NH+]1CCC(O)CC1)c1[nH]c2ccccc2c1Br ZINC000118722369 655281232 /nfs/dbraw/zinc/28/12/32/655281232.db2.gz RXOUXXYJDDEKGU-UHFFFAOYSA-N 1 0 380.286 2.507 20 0 GFADRO CC[NH+]1CCN([C@H]2CCN(CC(=O)Nc3c(Cl)cccc3Cl)C2)CC1 ZINC000118835208 655282862 /nfs/dbraw/zinc/28/28/62/655282862.db2.gz PYIIGANKLWHTCF-AWEZNQCLSA-N 1 0 385.339 2.644 20 0 GFADRO C[C@H](C[NH2+][C@]1(CNC(=O)OC(C)(C)C)CCCC[C@H]1C)CS(C)(=O)=O ZINC000119075987 655288985 /nfs/dbraw/zinc/28/89/85/655288985.db2.gz RPUBAIYNQDKAMY-RKVPGOIHSA-N 1 0 376.563 2.730 20 0 GFADRO C[NH+]1CCN(c2ccc(NC(=O)c3nc(Br)cs3)cc2)CC1 ZINC000119141717 655291537 /nfs/dbraw/zinc/29/15/37/655291537.db2.gz KQUSXKKTJXKETC-UHFFFAOYSA-N 1 0 381.299 2.910 20 0 GFADRO CCN(Cc1ccccc1)C(=O)C[NH2+][C@H](C)Cn1cc(Br)cn1 ZINC000177998467 655294527 /nfs/dbraw/zinc/29/45/27/655294527.db2.gz YPOCVKHMHVXVRN-CQSZACIVSA-N 1 0 379.302 2.672 20 0 GFADRO CC(C)(C)S(=O)(=O)N1CCC([NH2+]Cc2ccccc2OC(F)F)CC1 ZINC000276957371 655295150 /nfs/dbraw/zinc/29/51/50/655295150.db2.gz PILCMIIUIQYOFK-UHFFFAOYSA-N 1 0 376.469 2.970 20 0 GFADRO C[C@@H]([NH2+]Cc1ccccc1CS(=O)(=O)N1CCOCC1)c1cccs1 ZINC000178010261 655295354 /nfs/dbraw/zinc/29/53/54/655295354.db2.gz GLLVUNDINDSWNH-OAHLLOKOSA-N 1 0 380.535 2.761 20 0 GFADRO OCCOCC[NH+]1CCC(c2nc(-c3ccccc3Br)no2)CC1 ZINC000276974489 655295866 /nfs/dbraw/zinc/29/58/66/655295866.db2.gz YLCSHSUXKVPSNA-UHFFFAOYSA-N 1 0 396.285 2.687 20 0 GFADRO Cc1cccc(I)c1C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000119319257 655298605 /nfs/dbraw/zinc/29/86/05/655298605.db2.gz GNSXJNXNWYKZCT-UHFFFAOYSA-N 1 0 384.261 2.956 20 0 GFADRO COc1cc(S(=O)(=O)N2CCC[C@@H]([NH+](C)C)CC2)ccc1Br ZINC000277019842 655298698 /nfs/dbraw/zinc/29/86/98/655298698.db2.gz MRYQHVWEDASZRU-GFCCVEGCSA-N 1 0 391.331 2.563 20 0 GFADRO Cc1cc(Br)c(S(=O)(=O)N2CCC[C@H]([NH+](C)C)CC2)s1 ZINC000277040455 655299904 /nfs/dbraw/zinc/29/99/04/655299904.db2.gz OZDAHHLJMSNUBI-NSHDSACASA-N 1 0 381.361 2.924 20 0 GFADRO C[NH+](C)C[C@@H]1CCN(S(=O)(=O)c2cccc(Cl)c2Br)C1 ZINC000277098038 655303185 /nfs/dbraw/zinc/30/31/85/655303185.db2.gz SROOFJGYTKPLHL-JTQLQIEISA-N 1 0 381.723 2.675 20 0 GFADRO C[NH+](C)[C@H]1CCCN(C(=O)CCN2C(=S)N=NC2c2cccs2)CC1 ZINC000277280073 655310782 /nfs/dbraw/zinc/31/07/82/655310782.db2.gz NFHARQUONLVNEK-ZDUSSCGKSA-N 1 0 379.555 2.628 20 0 GFADRO COCC[N@H+]1[C@H](C)CN(C(=O)NCc2sccc2Br)C[C@@H]1C ZINC000179007406 655311043 /nfs/dbraw/zinc/31/10/43/655311043.db2.gz MRPBTZOIZKENCN-TXEJJXNPSA-N 1 0 390.347 2.761 20 0 GFADRO O=C(NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1cc(Br)cs1 ZINC000119690630 655311225 /nfs/dbraw/zinc/31/12/25/655311225.db2.gz VRONTTZDXKJWIW-OAHLLOKOSA-N 1 0 395.322 2.660 20 0 GFADRO CN(C(=O)c1ccnc(Cl)c1I)[C@@H]1CCC[N@H+](C)C1 ZINC000119710636 655312151 /nfs/dbraw/zinc/31/21/51/655312151.db2.gz VEQISLSVRKNHRZ-SECBINFHSA-N 1 0 393.656 2.506 20 0 GFADRO CC(=O)N(C)C1CC[NH+](C[C@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000119809081 655316073 /nfs/dbraw/zinc/31/60/73/655316073.db2.gz BLVLHFKULUZANY-HNNXBMFYSA-N 1 0 375.296 2.676 20 0 GFADRO CCOCC[C@@H](O)C[NH+]1CCC(C(=O)Nc2ccccc2Br)CC1 ZINC000277402045 655317204 /nfs/dbraw/zinc/31/72/04/655317204.db2.gz CXDYHVBMQVIONZ-OAHLLOKOSA-N 1 0 399.329 2.887 20 0 GFADRO Cc1cc(S(=O)(=O)N(CC[NH+](C)C)Cc2ccccn2)c(Cl)cc1F ZINC000119864921 655318910 /nfs/dbraw/zinc/31/89/10/655318910.db2.gz ZIYQVLWXLVAHIR-UHFFFAOYSA-N 1 0 385.892 2.935 20 0 GFADRO Brc1cc2c(cc1C[N@@H+]1CCC[C@@H](Cn3ccnn3)C1)OCCO2 ZINC000119925068 655321537 /nfs/dbraw/zinc/32/15/37/655321537.db2.gz QBELAJWAGACOIH-CYBMUJFWSA-N 1 0 393.285 2.724 20 0 GFADRO NC(=O)[C@@H]1CCC[C@@H]([NH2+]Cc2nc(-c3cccc(Br)c3)c[nH]2)C1 ZINC000120101430 655327688 /nfs/dbraw/zinc/32/76/88/655327688.db2.gz IVWXQURKDCWXSA-TZMCWYRMSA-N 1 0 377.286 2.973 20 0 GFADRO C[C@H](NC(=O)c1cnnn1-c1c(Cl)cccc1Cl)C1=CC[N@H+](C)CC1 ZINC000280759690 655330539 /nfs/dbraw/zinc/33/05/39/655330539.db2.gz GKWLZALCMFVIJD-NSHDSACASA-N 1 0 380.279 2.954 20 0 GFADRO CC1(CNC(=O)c2cc(=O)[nH]c3ccc(Br)cc32)CC[NH2+]CC1 ZINC000181280469 655334440 /nfs/dbraw/zinc/33/44/40/655334440.db2.gz KMRXHLRWRDIYKZ-UHFFFAOYSA-N 1 0 378.270 2.822 20 0 GFADRO Cc1nc(Br)ccc1NC(=O)NCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000181318770 655335242 /nfs/dbraw/zinc/33/52/42/655335242.db2.gz HWRODFQGHXLFQI-RYUDHWBXSA-N 1 0 385.306 2.773 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000120600482 655340201 /nfs/dbraw/zinc/34/02/01/655340201.db2.gz BGFMBFGXSFJDIX-CZUORRHYSA-N 1 0 394.313 2.639 20 0 GFADRO CSC[C@@](C)(O)C[NH2+]Cc1cc(Br)c2c(c1)OCCCO2 ZINC000120624469 655340632 /nfs/dbraw/zinc/34/06/32/655340632.db2.gz BGDAMBJQAUECIC-HNNXBMFYSA-N 1 0 376.316 2.814 20 0 GFADRO Cc1cccc(NC(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)c1Br ZINC000120655069 655341378 /nfs/dbraw/zinc/34/13/78/655341378.db2.gz BCXITZSZNIRCHI-ZDUSSCGKSA-N 1 0 383.334 2.763 20 0 GFADRO C[C@@H](CCNC(=O)CN1C(=S)N=NC1c1cccs1)[NH+]1CCCCC1 ZINC000182247340 655343217 /nfs/dbraw/zinc/34/32/17/655343217.db2.gz YHDKRCMKQXDHAK-ZDUSSCGKSA-N 1 0 379.555 2.676 20 0 GFADRO CCOC(=O)c1nn(-c2ccccc2)cc1C[NH2+]C[C@@H]1CSCCS1 ZINC000182579024 655345358 /nfs/dbraw/zinc/34/53/58/655345358.db2.gz KUEGPZRTHQKHLM-MRXNPFEDSA-N 1 0 377.535 2.987 20 0 GFADRO CC[NH+]1CCN([C@@H](C)CNC(=O)c2ccc(Br)cc2Cl)CC1 ZINC000120888504 655346051 /nfs/dbraw/zinc/34/60/51/655346051.db2.gz JZOUVZGWRQRPIU-LBPRGKRZSA-N 1 0 388.737 2.858 20 0 GFADRO C[C@H](C(=O)NC[C@H]1CC[C@H](C[NH3+])CC1)N1C(=S)N=NC1c1cccs1 ZINC000289337819 655346865 /nfs/dbraw/zinc/34/68/65/655346865.db2.gz WMUZZFVXNYFFPU-JHJVBQTASA-N 1 0 379.555 2.738 20 0 GFADRO COC1CCC([NH2+]CCOc2ccc(S(=O)(=O)C(F)(F)F)cc2)CC1 ZINC000183161294 655349136 /nfs/dbraw/zinc/34/91/36/655349136.db2.gz VDAGSGADJOUBJP-UHFFFAOYSA-N 1 0 381.416 2.906 20 0 GFADRO C[C@H](C[NH2+][C@@H](CNC(=O)OC(C)(C)C)C1CCCCC1)CS(C)(=O)=O ZINC000183323272 655350678 /nfs/dbraw/zinc/35/06/78/655350678.db2.gz OFNGBITYAUYRPM-ZBFHGGJFSA-N 1 0 376.563 2.730 20 0 GFADRO CCCN(CC[NH+](CC)CC)C(=O)C(=O)Nc1ccc(Br)nc1C ZINC000121715155 655350756 /nfs/dbraw/zinc/35/07/56/655350756.db2.gz RMOODUDDNNKFKD-UHFFFAOYSA-N 1 0 399.333 2.671 20 0 GFADRO O=S1(=O)CCC([NH2+]Cc2ccc(Cl)cc2I)CC1 ZINC000291250920 655351164 /nfs/dbraw/zinc/35/11/64/655351164.db2.gz VXTLLISFPANUSU-UHFFFAOYSA-N 1 0 399.681 2.611 20 0 GFADRO CSCc1nn(CN2CCC(CCC[NH+]3CCOCC3)CC2)c(=S)o1 ZINC000183518483 655351885 /nfs/dbraw/zinc/35/18/85/655351885.db2.gz HNRJLBULGHVWER-UHFFFAOYSA-N 1 0 386.587 2.850 20 0 GFADRO Cc1cccc(C(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)c1I ZINC000292632430 655353000 /nfs/dbraw/zinc/35/30/00/655353000.db2.gz VTYIXURCWWZTNA-MRXNPFEDSA-N 1 0 384.261 2.767 20 0 GFADRO Cc1ccc(NC(=O)NC(C)(C)CC[NH+]2CCN(C)CC2)c(Br)n1 ZINC000184542801 655357967 /nfs/dbraw/zinc/35/79/67/655357967.db2.gz MBCOXGKWVYLSBJ-UHFFFAOYSA-N 1 0 398.349 2.690 20 0 GFADRO COCCNC(=O)[C@H](CC(C)C)[NH2+][C@H](C)c1ccc(Br)cc1O ZINC000186356393 655368964 /nfs/dbraw/zinc/36/89/64/655368964.db2.gz MQQQDEDDMNOKNH-DOMZBBRYSA-N 1 0 387.318 2.983 20 0 GFADRO OCc1cn(CCC[NH2+][C@@H]2CCCCc3ccc(Br)cc32)nn1 ZINC000297451361 655370851 /nfs/dbraw/zinc/37/08/51/655370851.db2.gz WZWYYTRWVUFMED-QGZVFWFLSA-N 1 0 379.302 2.980 20 0 GFADRO Cc1cc(Br)cc([C@@H](C)[NH2+]C2CCN(S(C)(=O)=O)CC2)c1O ZINC000186976972 655372246 /nfs/dbraw/zinc/37/22/46/655372246.db2.gz AQJQTLBUPOHFSF-LLVKDONJSA-N 1 0 391.331 2.538 20 0 GFADRO C[C@@H]1C[NH+](CCCNC(=O)c2cc(Br)ncc2Cl)C[C@@H](C)O1 ZINC000187213259 655373098 /nfs/dbraw/zinc/37/30/98/655373098.db2.gz FEQCCHIIDSSIGE-GHMZBOCLSA-N 1 0 390.709 2.727 20 0 GFADRO C[N@@H+]1CCC[C@]2(CCN(Cn3c(=O)oc4cccc(Br)c43)C2)C1 ZINC000840087041 661130452 /nfs/dbraw/zinc/13/04/52/661130452.db2.gz PKPGSRVIXAPBLP-KRWDZBQOSA-N 1 0 380.286 2.732 20 0 GFADRO C[N@@H+]1CCC[C@]2(CCN(Cn3c(=O)oc4cc(F)c(Br)cc43)C2)C1 ZINC000840086621 661130646 /nfs/dbraw/zinc/13/06/46/661130646.db2.gz NCVUBLRRFPSHFJ-KRWDZBQOSA-N 1 0 398.276 2.871 20 0 GFADRO Cn1ncc(Br)c1C[NH2+]CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000309854331 655379040 /nfs/dbraw/zinc/37/90/40/655379040.db2.gz KPQKZPBQRFXGBV-UHFFFAOYSA-N 1 0 387.322 2.919 20 0 GFADRO C[N@@H+]1CCC[C@]2(CCN(Cn3c(=O)oc4cc(Br)c(F)cc43)C2)C1 ZINC000840087457 661130974 /nfs/dbraw/zinc/13/09/74/661130974.db2.gz SORUHGWUVSOLJG-KRWDZBQOSA-N 1 0 398.276 2.871 20 0 GFADRO CC[NH+](CC)C[C@H](C)Nc1cnn(CC(F)(F)F)c(=O)c1Br ZINC000319235452 655381537 /nfs/dbraw/zinc/38/15/37/655381537.db2.gz WBOHVOWHLQYTIY-VIFPVBQESA-N 1 0 385.228 2.710 20 0 GFADRO CC1CC[NH+](CCCNC(=O)c2cc([N+](=O)[O-])ncc2Br)CC1 ZINC000323570808 655383909 /nfs/dbraw/zinc/38/39/09/655383909.db2.gz XQZWUCMJHGJFOO-UHFFFAOYSA-N 1 0 385.262 2.604 20 0 GFADRO C[C@@H]1CN(C(=O)c2cnn(C)c2Br)CC[N@H+](Cc2ccccc2)C1 ZINC000324053516 655384024 /nfs/dbraw/zinc/38/40/24/655384024.db2.gz VDTGLFBYNCYHDX-AWEZNQCLSA-N 1 0 391.313 2.777 20 0 GFADRO Cc1nc(S(=O)(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)sc1Br ZINC000329135054 655387269 /nfs/dbraw/zinc/38/72/69/655387269.db2.gz GEBKRXFZOMLEGG-LLVKDONJSA-N 1 0 396.376 2.709 20 0 GFADRO O=C([C@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000333782414 655388109 /nfs/dbraw/zinc/38/81/09/655388109.db2.gz DXBNYZJYQVFPFI-SGTLLEGYSA-N 1 0 382.291 2.701 20 0 GFADRO CC[C@]1(c2ccc(Cl)cc2)NC(=O)N(C[C@]2([NH+](C)C)CCSC2)C1=O ZINC000348472822 655388336 /nfs/dbraw/zinc/38/83/36/655388336.db2.gz DZMJSZIWVQFGDF-QZTJIDSGSA-N 1 0 381.929 2.934 20 0 GFADRO CCCC[N@H+](C)CCN1C(=O)CN(Cc2cccc(Br)c2)C1=O ZINC000349393152 655390094 /nfs/dbraw/zinc/39/00/94/655390094.db2.gz SUJDMYPRORGGIH-UHFFFAOYSA-N 1 0 382.302 2.945 20 0 GFADRO CCN(CCC[NH+](CC)CC)S(=O)(=O)c1cc([N+](=O)[O-])c(F)cc1C ZINC000190564369 655393361 /nfs/dbraw/zinc/39/33/61/655393361.db2.gz QNNPPKFXVDUACM-UHFFFAOYSA-N 1 0 375.466 2.785 20 0 GFADRO Cc1ccc(CNC(=O)C2CC[NH+](CCI)CC2)cc1 ZINC000190923073 655395965 /nfs/dbraw/zinc/39/59/65/655395965.db2.gz WTGODRBTQUSBKG-UHFFFAOYSA-N 1 0 386.277 2.758 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)[C@@H]2CCCN2C(=O)c2ccc(Cl)s2)C[N@@H+]1C1CC1 ZINC000365917161 655396707 /nfs/dbraw/zinc/39/67/07/655396707.db2.gz CVXFMHOGTBGMRO-BZPMIXESSA-N 1 0 381.929 2.748 20 0 GFADRO Cc1nc(CN2CCC[C@H]([NH2+][C@H](C)c3ncc(Br)s3)C2)no1 ZINC000369519554 655401515 /nfs/dbraw/zinc/40/15/15/655401515.db2.gz MPXRPXRKXAOJKF-KOLCDFICSA-N 1 0 386.319 2.912 20 0 GFADRO CN(CC1CC[NH+](C)CC1)Cn1c(=O)oc2cc(F)c(Br)cc21 ZINC000192159053 655403059 /nfs/dbraw/zinc/40/30/59/655403059.db2.gz LJIAYEBQDUFNEY-UHFFFAOYSA-N 1 0 386.265 2.727 20 0 GFADRO COCCN(Cc1ccc(Br)s1)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000418347453 655405743 /nfs/dbraw/zinc/40/57/43/655405743.db2.gz VQGAIZHEIKNHOJ-GFCCVEGCSA-N 1 0 390.347 2.668 20 0 GFADRO CC[C@H](c1ccc(Br)cc1)N1CCN(C(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000418343723 655405748 /nfs/dbraw/zinc/40/57/48/655405748.db2.gz APNGTPHQJHZCHW-IAGOWNOFSA-N 1 0 395.345 2.589 20 0 GFADRO O=S(=O)(c1ccc(Br)c(Cl)c1)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000420473971 655407502 /nfs/dbraw/zinc/40/75/02/655407502.db2.gz IJSIGUGECNRHNH-CYBMUJFWSA-N 1 0 379.707 2.619 20 0 GFADRO O=c1c(Br)nn(C[N@H+]2CCC[C@@H]2[C@@H]2CCC[C@H]2O)c2ccccc12 ZINC000840118271 661135380 /nfs/dbraw/zinc/13/53/80/661135380.db2.gz CXGPKEJKRKQHQU-JGGQBBKZSA-N 1 0 392.297 2.742 20 0 GFADRO O=C1c2cc(Br)ccc2CN1C[N@H+]1CCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000840119632 661135976 /nfs/dbraw/zinc/13/59/76/661135976.db2.gz IABBQJDGSPRZKE-USXIJHARSA-N 1 0 379.298 2.988 20 0 GFADRO O[C@H](COc1cc(F)cc(Br)c1)C[N@@H+]1CC[C@@H](O)CC12CCC2 ZINC000517913009 655419040 /nfs/dbraw/zinc/41/90/40/655419040.db2.gz VRSXZQNXGRGEOG-CABCVRRESA-N 1 0 388.277 2.707 20 0 GFADRO C[NH+](C)C[C@](C)(O)CNCc1cc(Br)c(Br)s1 ZINC000227935251 655423099 /nfs/dbraw/zinc/42/30/99/655423099.db2.gz BBFVVPRTJPOUES-LLVKDONJSA-N 1 0 386.153 2.675 20 0 GFADRO O[C@H](C[NH2+]C[C@H]1CSCCS1)COc1ccc(Br)cc1 ZINC000229600409 655423404 /nfs/dbraw/zinc/42/34/04/655423404.db2.gz RXFWIAPLJGYCSY-OCCSQVGLSA-N 1 0 378.357 2.627 20 0 GFADRO COC(=O)c1cc(S(=O)(=O)N[C@H]2CCCC[C@@H]2C[NH3+])c(Cl)cc1Cl ZINC000237207527 655425763 /nfs/dbraw/zinc/42/57/63/655425763.db2.gz GDENUOKXJPRDCJ-RNCFNFMXSA-N 1 0 395.308 2.576 20 0 GFADRO O=C1[C@H]([NH2+]C[C@H](O)COCc2cccs2)CCN1c1ccccc1Cl ZINC000574191837 655426118 /nfs/dbraw/zinc/42/61/18/655426118.db2.gz IYMUHCDSILTPKH-XJKSGUPXSA-N 1 0 380.897 2.674 20 0 GFADRO C[C@@H](NCc1nnnn1CC1CCOCC1)c1ccc(Br)s1 ZINC000574264770 655427510 /nfs/dbraw/zinc/42/75/10/655427510.db2.gz GWOMJKXXUCDKBU-SNVBAGLBSA-N 1 0 386.319 2.775 20 0 GFADRO CO[C@@H]1CCN(C(=O)Nc2ccc(Br)c(C3CC3)n2)[C@H](C[NH3+])C1 ZINC000574294112 655428274 /nfs/dbraw/zinc/42/82/74/655428274.db2.gz NOGCVXYZYRBQKT-NWDGAFQWSA-N 1 0 383.290 2.692 20 0 GFADRO C[C@@H]1C[NH+](CCCNC(=O)[C@@H](O)c2cc(Cl)cc(Cl)c2)C[C@@H](C)O1 ZINC000245745081 655428277 /nfs/dbraw/zinc/42/82/77/655428277.db2.gz FTBNRGZNZCRYGO-HSMVNMDESA-N 1 0 375.296 2.642 20 0 GFADRO C[C@@H](NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1ccc(Br)cn1 ZINC000574298139 655428432 /nfs/dbraw/zinc/42/84/32/655428432.db2.gz SFGGMKGZJMNFTB-RDTXWAMCSA-N 1 0 390.325 2.914 20 0 GFADRO CC(=O)N(c1nn(CN2CCC[C@H]3C[N@H+](C)CC[C@H]32)c(=S)s1)C1CC1 ZINC000246258393 655429589 /nfs/dbraw/zinc/42/95/89/655429589.db2.gz JCAQNGDCMWWUJC-DZGCQCFKSA-N 1 0 381.571 2.563 20 0 GFADRO C[C@H]1C[C@@H]([NH3+])CCN1C(=O)c1cc(I)ccc1Cl ZINC000574377321 655430089 /nfs/dbraw/zinc/43/00/89/655430089.db2.gz QDROOEIBVULNPP-WPRPVWTQSA-N 1 0 378.641 2.896 20 0 GFADRO C[N@@H+]1CCC[C@H](CNC(=O)N2CCO[C@@H](c3ccccc3Br)C2)C1 ZINC000247188935 655431340 /nfs/dbraw/zinc/43/13/40/655431340.db2.gz QDHCHZIMCOOGKG-RHSMWYFYSA-N 1 0 396.329 2.874 20 0 GFADRO C[C@@H]1CN(C(=O)N2CCO[C@@H](c3ccc(Br)cc3)C2)C[C@@]1(C)C[NH3+] ZINC000574862178 655432205 /nfs/dbraw/zinc/43/22/05/655432205.db2.gz APLIHYSADGIDSP-MZMPZRCHSA-N 1 0 396.329 2.859 20 0 GFADRO COc1cc([C@H](C)[NH2+]C[C@@H]2CCCC[C@H]2O)ccc1S(=O)(=O)C(F)F ZINC000248146829 655432262 /nfs/dbraw/zinc/43/22/62/655432262.db2.gz QHLGGUNYJAFYMW-FPMFFAJLSA-N 1 0 377.453 2.893 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)c1cn(-c2ccc(Br)cc2)cn1 ZINC000574982219 655434022 /nfs/dbraw/zinc/43/40/22/655434022.db2.gz QNFZXWGOIOTQJC-MLGOLLRUSA-N 1 0 377.286 2.977 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)c1cn(-c2ccc(Br)cc2)cn1 ZINC000574982220 655434066 /nfs/dbraw/zinc/43/40/66/655434066.db2.gz QNFZXWGOIOTQJC-WBMJQRKESA-N 1 0 377.286 2.977 20 0 GFADRO Cc1cc(Br)cn2cc(CNC(=O)N[C@@H](C)[C@H]3CCC[NH2+]C3)nc12 ZINC000575108636 655435846 /nfs/dbraw/zinc/43/58/46/655435846.db2.gz WKYDZPKXLGOBQZ-STQMWFEESA-N 1 0 394.317 2.593 20 0 GFADRO CSc1cc(N2CCN(C3CC[NH+](C(C)C)CC3)CC2)nc(SC)n1 ZINC000575138155 655436066 /nfs/dbraw/zinc/43/60/66/655436066.db2.gz RZQIDEBJXYPXLU-UHFFFAOYSA-N 1 0 381.615 2.915 20 0 GFADRO COc1cc(/C=C\C(=O)N2CC[NH+](CC(C)C)CC2)cc(Br)c1O ZINC000255042095 655436579 /nfs/dbraw/zinc/43/65/79/655436579.db2.gz DTRHHTVYKQOXKZ-PLNGDYQASA-N 1 0 397.313 2.977 20 0 GFADRO CC1(C)[C@@H]2OCCC[C@H]2[C@]1([NH3+])C(=O)Nc1cnc2c(Br)cccn12 ZINC000575986445 655441622 /nfs/dbraw/zinc/44/16/22/655441622.db2.gz FGHWQEPBSRQTPP-JUKMUDQWSA-N 1 0 393.285 2.568 20 0 GFADRO [NH3+]C[C@H]1CCCC[C@H]1NS(=O)(=O)c1c(Cl)cccc1Br ZINC000261672262 655441737 /nfs/dbraw/zinc/44/17/37/655441737.db2.gz FXRWIJJTWKBHGA-BXKDBHETSA-N 1 0 381.723 2.898 20 0 GFADRO C[NH2+][C@H]1CCCN(C(=O)[C@H](c2ccc(Cl)cc2Cl)N2CCOCC2)C1 ZINC000261677144 655441863 /nfs/dbraw/zinc/44/18/63/655441863.db2.gz HAOAOSUJANVCHH-YOEHRIQHSA-N 1 0 386.323 2.577 20 0 GFADRO O=C(c1cc(=O)[nH]c2ccc(Br)cc21)N1CCC2(CC[NH2+]C2)CC1 ZINC000261873710 655442808 /nfs/dbraw/zinc/44/28/08/655442808.db2.gz SOPFLEIGNRBAIU-UHFFFAOYSA-N 1 0 390.281 2.919 20 0 GFADRO O=C(NCC1C[NH2+]C1)[C@@H](Oc1ccccc1Br)c1ccccc1 ZINC000261929067 655442942 /nfs/dbraw/zinc/44/29/42/655442942.db2.gz KPWZIJVWVPMJJQ-KRWDZBQOSA-N 1 0 375.266 2.905 20 0 GFADRO C[C@H](C[C@H](C)[NH3+])NC(=O)CCC[S@@](=O)c1ccc(Br)cc1 ZINC000576169863 655444955 /nfs/dbraw/zinc/44/49/55/655444955.db2.gz UWXPEFDDHAYKOT-QLMNROTDSA-N 1 0 375.332 2.579 20 0 GFADRO CC1(C)CC[N@H+](CC(=O)NCc2cnn(-c3ccc(Br)cc3)c2)C1 ZINC000576477694 655448166 /nfs/dbraw/zinc/44/81/66/655448166.db2.gz ITVYTIWZTZSFHD-UHFFFAOYSA-N 1 0 391.313 2.983 20 0 GFADRO Cc1c(C(=O)N[C@@H]2C[NH2+]CCC2(F)F)cnn1-c1ccc(Br)cc1 ZINC000576582866 655449443 /nfs/dbraw/zinc/44/94/43/655449443.db2.gz KWVYRYOPLMLIQB-CQSZACIVSA-N 1 0 399.239 2.670 20 0 GFADRO CC[NH+](CC)CCS(=O)(=O)N(C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000576743008 655452103 /nfs/dbraw/zinc/45/21/03/655452103.db2.gz CNOBBSRNJNFNFJ-JKSUJKDBSA-N 1 0 395.352 2.555 20 0 GFADRO COc1cc(NC(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)cc(OC)c1Br ZINC000576925386 655454753 /nfs/dbraw/zinc/45/47/53/655454753.db2.gz TZYHCMOPXMQQKL-QWRGUYRKSA-N 1 0 384.274 2.540 20 0 GFADRO C[NH+](C)C[C@@H](NC(=O)c1csc(-c2nc[nH]n2)n1)c1ccc(Cl)cc1 ZINC000577392517 655458549 /nfs/dbraw/zinc/45/85/49/655458549.db2.gz FJQDFUXILJSVIO-GFCCVEGCSA-N 1 0 376.873 2.614 20 0 GFADRO C[NH+]1CCC(Nc2ccccc2NC(=O)Cn2cc(Br)cn2)CC1 ZINC000264227342 655459320 /nfs/dbraw/zinc/45/93/20/655459320.db2.gz XCKPESFAIIHOMO-UHFFFAOYSA-N 1 0 392.301 2.790 20 0 GFADRO C[C@@H]1CN(CC[NH2+]C2(c3cccc(Br)c3)CCOCC2)CCO1 ZINC000577470477 655460266 /nfs/dbraw/zinc/46/02/66/655460266.db2.gz RFXRKBLZAMFHNJ-OAHLLOKOSA-N 1 0 383.330 2.765 20 0 GFADRO CNC(=O)CCC[N@H+](C)Cc1cccc(Br)c1OC[C@@H]1CCCO1 ZINC000577505592 655461186 /nfs/dbraw/zinc/46/11/86/655461186.db2.gz GBBPODXSRYTPBP-HNNXBMFYSA-N 1 0 399.329 2.965 20 0 GFADRO [NH3+][C@H]1CCCC[C@H]1CC(=O)NCCCNC(=O)c1cccc(Br)c1 ZINC000577746092 655466224 /nfs/dbraw/zinc/46/62/24/655466224.db2.gz FQKUUOBHVICFOE-BBRMVZONSA-N 1 0 396.329 2.593 20 0 GFADRO CC(C)[N@H+](C)C[C@H](C)NC(=O)c1ccc(I)c(F)c1 ZINC000577806057 655467487 /nfs/dbraw/zinc/46/74/87/655467487.db2.gz WSSAFAZOCVOFHM-JTQLQIEISA-N 1 0 378.229 2.889 20 0 GFADRO C[N@H+](CCNC(=O)CCC[S@](=O)c1ccc(Br)cc1)C1CC1 ZINC000264775092 655470284 /nfs/dbraw/zinc/47/02/84/655470284.db2.gz VYNUDNWKFBWOGZ-QFIPXVFZSA-N 1 0 387.343 2.547 20 0 GFADRO CC(C)S(=O)(=O)CCC[NH2+][C@@H](CCO)c1ccccc1Br ZINC000578229079 655474562 /nfs/dbraw/zinc/47/45/62/655474562.db2.gz DAOZLCKVSNMXAY-HNNXBMFYSA-N 1 0 378.332 2.676 20 0 GFADRO O=C(COc1ccc(Br)cc1)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000578231453 655474609 /nfs/dbraw/zinc/47/46/09/655474609.db2.gz XTPIZJPZMKZRDQ-DLBZAZTESA-N 1 0 375.266 2.700 20 0 GFADRO C[NH+](C)C1(CNC(=O)CCCOc2ccccc2Br)CCOCC1 ZINC000265010026 655475985 /nfs/dbraw/zinc/47/59/85/655475985.db2.gz KKBHWZZKHWTLIO-UHFFFAOYSA-N 1 0 399.329 2.835 20 0 GFADRO C[NH+](C)C1(CNC(=O)C2(c3cccc(Br)c3)CC2)CCOCC1 ZINC000265042579 655476463 /nfs/dbraw/zinc/47/64/63/655476463.db2.gz QYUHQYKQGDPARO-UHFFFAOYSA-N 1 0 381.314 2.708 20 0 GFADRO CCOCCOc1ccc(Br)cc1C[NH2+]C[C@@](C)(O)CCOC ZINC000265244971 655479549 /nfs/dbraw/zinc/47/95/49/655479549.db2.gz MPDBZOQAHPLDDS-KRWDZBQOSA-N 1 0 390.318 2.742 20 0 GFADRO CC(C)[C@@H](C(=O)NCc1ccc(Br)cc1N1CCOCC1)[C@H](C)[NH3+] ZINC000578536546 655481435 /nfs/dbraw/zinc/48/14/35/655481435.db2.gz HZOCZEMWXJVIAU-SUMWQHHRSA-N 1 0 398.345 2.521 20 0 GFADRO O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)c1cc(F)ccc1Br ZINC000265478603 655484187 /nfs/dbraw/zinc/48/41/87/655484187.db2.gz CDJKACFMBBCYBM-GFCCVEGCSA-N 1 0 385.277 2.819 20 0 GFADRO O=C(NC[C@H](O)C[NH+]1CCCC1)Nc1ccc(Br)cc1Cl ZINC000265755959 655489911 /nfs/dbraw/zinc/48/99/11/655489911.db2.gz DTFDZVCHCCGXLN-NSHDSACASA-N 1 0 376.682 2.681 20 0 GFADRO C[NH+](C)C(C)(C)CNC(=O)C(=O)Nc1cc(F)ccc1SCC(F)F ZINC000265797865 655490789 /nfs/dbraw/zinc/49/07/89/655490789.db2.gz MWUFEMXZPKNPQO-UHFFFAOYSA-N 1 0 377.432 2.578 20 0 GFADRO O=C(NCCNc1ncc(Cl)cc1Cl)[C@]1(c2ccccc2)CC[NH2+]C1 ZINC000579001089 655491354 /nfs/dbraw/zinc/49/13/54/655491354.db2.gz FJWRNMWMVSZVPO-GOSISDBHSA-N 1 0 379.291 2.848 20 0 GFADRO [NH3+]CCCN(CC1CCCC1)S(=O)(=O)c1ccccc1Br ZINC000579006947 655491489 /nfs/dbraw/zinc/49/14/89/655491489.db2.gz SKRXEYWSRWYDHO-UHFFFAOYSA-N 1 0 375.332 2.979 20 0 GFADRO COC[C@]1(CNC(=O)NCc2cc(Cl)ccc2Br)CCC[NH2+]1 ZINC000579954694 655506191 /nfs/dbraw/zinc/50/61/91/655506191.db2.gz PFHJRNJKHCUWLG-OAHLLOKOSA-N 1 0 390.709 2.670 20 0 GFADRO COc1cc(Br)ccc1CCCNC(=O)c1ccnc(C[NH3+])c1 ZINC000580063484 655507556 /nfs/dbraw/zinc/50/75/56/655507556.db2.gz DGTGSMXVPWWSOA-UHFFFAOYSA-N 1 0 378.270 2.674 20 0 GFADRO CCc1n[nH]c(C(=O)N(C)CCC[N@H+](C)Cc2ccncc2)c1Br ZINC000580201008 655510113 /nfs/dbraw/zinc/51/01/13/655510113.db2.gz UPBBTDJCAQCHIO-UHFFFAOYSA-N 1 0 394.317 2.724 20 0 GFADRO C[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1c(Br)cnn1C ZINC000716185437 655523493 /nfs/dbraw/zinc/52/34/93/655523493.db2.gz LSGDSEJZLGLVCX-CJNGLKHVSA-N 1 0 391.313 2.823 20 0 GFADRO C[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1NC(=O)c1nn(C)cc1Br ZINC000716185423 655523503 /nfs/dbraw/zinc/52/35/03/655523503.db2.gz LPKJWTJIPZFKRF-CZUORRHYSA-N 1 0 391.313 2.823 20 0 GFADRO O=S(=O)(/C=C\c1ccccc1Br)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000727452034 655545624 /nfs/dbraw/zinc/54/56/24/655545624.db2.gz MCFVBNHMTAZIAL-GXIIQHASSA-N 1 0 385.327 2.966 20 0 GFADRO O[C@H](COc1ccc(Cl)cc1Cl)C[N@@H+]1CCCC[C@@H]1C1OCCO1 ZINC000728173302 655553616 /nfs/dbraw/zinc/55/36/16/655553616.db2.gz XNHSXXUMDMNHJP-DZGCQCFKSA-N 1 0 376.280 2.961 20 0 GFADRO COc1ccc2nc(Cl)ccc2c1S(=O)(=O)N(C)CC[NH+]1CCCC1 ZINC000728591212 655557777 /nfs/dbraw/zinc/55/77/77/655557777.db2.gz ZULGYMDVMMCTGV-UHFFFAOYSA-N 1 0 383.901 2.613 20 0 GFADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)N1CCc2c(ccc(Cl)c2Cl)C1 ZINC000729504406 655565473 /nfs/dbraw/zinc/56/54/73/655565473.db2.gz IDTRJABMFWHLCS-UONOGXRCSA-N 1 0 384.307 2.924 20 0 GFADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]C[C@H]1Cc2ccccc21 ZINC000729680964 655566731 /nfs/dbraw/zinc/56/67/31/655566731.db2.gz JQSQVNFHPNTDMK-HUUCEWRRSA-N 1 0 379.913 2.634 20 0 GFADRO C[C@H]([NH2+][C@@H](C)c1csc2ccccc21)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000730021587 655571014 /nfs/dbraw/zinc/57/10/14/655571014.db2.gz JBESQPDKOIHASI-IHRRRGAJSA-N 1 0 380.535 2.586 20 0 GFADRO COC(=O)/C=C1/SCC(=O)N1CCC[N@H+](C)Cc1ccc(F)cc1Cl ZINC000730432838 655575838 /nfs/dbraw/zinc/57/58/38/655575838.db2.gz TXOWVKPFNKVTLG-CXUHLZMHSA-N 1 0 386.876 2.891 20 0 GFADRO O=c1oc2cc(Br)ccc2n1CN1CC[C@H]([NH+]2CCCCC2)C1 ZINC000730805879 655578016 /nfs/dbraw/zinc/57/80/16/655578016.db2.gz FVLNENDXXVVIPG-AWEZNQCLSA-N 1 0 380.286 2.875 20 0 GFADRO O=S(=O)(/C=C\c1ccccc1Br)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000731038612 655580795 /nfs/dbraw/zinc/58/07/95/655580795.db2.gz HRFJJQMGMVMZJS-WWRUEGTHSA-N 1 0 385.327 2.824 20 0 GFADRO COc1ccc2nc(Cl)ccc2c1S(=O)(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000731039010 655580996 /nfs/dbraw/zinc/58/09/96/655580996.db2.gz MOKJXHGCFSGJNT-LBPRGKRZSA-N 1 0 383.901 2.517 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CNC(=S)NC[C@H](O)c1ccc(Cl)cc1Cl ZINC000731946736 655589888 /nfs/dbraw/zinc/58/98/88/655589888.db2.gz VPBOFUMKKQTBIN-DOMZBBRYSA-N 1 0 376.353 2.975 20 0 GFADRO CN([C@H]1CC[N@@H+](C2CC2)C1)S(=O)(=O)/C=C/c1cccc(Br)c1 ZINC000732227096 655593521 /nfs/dbraw/zinc/59/35/21/655593521.db2.gz VYAKLWHXDUPNSS-DZZUKKPASA-N 1 0 385.327 2.918 20 0 GFADRO CNC(=O)C1([NH2+]CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)CCCC1 ZINC000733999749 655625299 /nfs/dbraw/zinc/62/52/99/655625299.db2.gz LFHKJERIGQHIOR-UHFFFAOYSA-N 1 0 377.794 2.946 20 0 GFADRO CC[S@@](=O)CC[NH2+]Cc1sc(N2CCOCC2)nc1-c1ccccc1 ZINC000735084629 655639026 /nfs/dbraw/zinc/63/90/26/655639026.db2.gz MNWSZEQSWQSKNU-RUZDIDTESA-N 1 0 379.551 2.505 20 0 GFADRO O=C(CCn1cc(Br)cn1)O[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000735221693 655642427 /nfs/dbraw/zinc/64/24/27/655642427.db2.gz UWHYLKMMVYEHSS-INIZCTEOSA-N 1 0 378.270 2.853 20 0 GFADRO S=c1n(Cc2cccs2)nnn1CN1CCC[C@H]1C[NH+]1CCCCC1 ZINC000738100819 655685434 /nfs/dbraw/zinc/68/54/34/655685434.db2.gz XELZPTWNUASBCA-HNNXBMFYSA-N 1 0 378.571 2.827 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2c(Cl)nc3sccn32)C[C@H]1C ZINC000740893746 655700396 /nfs/dbraw/zinc/70/03/96/655700396.db2.gz DFIHUQBUDXONAI-MNOVXSKESA-N 1 0 376.935 2.543 20 0 GFADRO C[C@@H]1C[C@H](N(C)C(=O)c2cn(-c3ccccc3Br)nn2)CC[N@@H+]1C ZINC000741590214 655706911 /nfs/dbraw/zinc/70/69/11/655706911.db2.gz DEVXORQTMXTKOP-CHWSQXEVSA-N 1 0 392.301 2.585 20 0 GFADRO C[NH+]1CCC2(CCN2C(=O)c2cc(Br)c3c(c2)OCCO3)CC1 ZINC000742185006 655711430 /nfs/dbraw/zinc/71/14/30/655711430.db2.gz FHEZIJMDLKQWQJ-UHFFFAOYSA-N 1 0 381.270 2.531 20 0 GFADRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)C1 ZINC000743359421 655728163 /nfs/dbraw/zinc/72/81/63/655728163.db2.gz VEAWQQRQHGMASE-LBPRGKRZSA-N 1 0 375.441 2.535 20 0 GFADRO C[C@@H]1CCC[N@@H+]1CCNC(=O)c1cc(=O)[nH]c2ccc(Br)cc21 ZINC000744349545 655739239 /nfs/dbraw/zinc/73/92/39/655739239.db2.gz KRZOMRNOLCHWOP-LLVKDONJSA-N 1 0 378.270 2.917 20 0 GFADRO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)c2cc(S(C)(=O)=O)ccc2Cl)C1 ZINC000746342789 655760335 /nfs/dbraw/zinc/76/03/35/655760335.db2.gz DUFLLTHTAVMREN-AWEZNQCLSA-N 1 0 384.929 2.547 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2C(=O)/C=C\c1ccc(Br)o1 ZINC000747146252 655773046 /nfs/dbraw/zinc/77/30/46/655773046.db2.gz MWCCTXSJXNEOAM-FSWAIXHKSA-N 1 0 383.286 2.765 20 0 GFADRO Cc1nc(-c2cccs2)c(CC(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)s1 ZINC000747236871 655774801 /nfs/dbraw/zinc/77/48/01/655774801.db2.gz QTYZMRZGSKZAKT-UONOGXRCSA-N 1 0 377.535 2.702 20 0 GFADRO Cc1nc(CNC(=S)NCC(C)(C)C[NH+](C)C)sc1Br ZINC000840780201 661186735 /nfs/dbraw/zinc/18/67/35/661186735.db2.gz JNGBPDBSRSKOIZ-UHFFFAOYSA-N 1 0 379.393 2.766 20 0 GFADRO Cc1cc(CCC(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)ccc1Br ZINC000751366342 655825735 /nfs/dbraw/zinc/82/57/35/655825735.db2.gz XXLIKIZAZSPSRQ-JKSUJKDBSA-N 1 0 381.314 2.670 20 0 GFADRO COc1cc(Br)c(C[NH2+]CCCNc2ncccn2)cc1OC ZINC000751506277 655830294 /nfs/dbraw/zinc/83/02/94/655830294.db2.gz MNMFCXLYLVCBMT-UHFFFAOYSA-N 1 0 381.274 2.848 20 0 GFADRO CO[C@H](CNc1cc(NC[C@H](OC)C(F)(F)F)nc(C)[nH+]1)C(F)(F)F ZINC000751888383 655835555 /nfs/dbraw/zinc/83/55/55/655835555.db2.gz FJKOJQIPPKPORW-DTORHVGOSA-N 1 0 376.301 2.763 20 0 GFADRO COCC[N@H+](C)CCCNC(=O)N[C@@H](C)[C@@H](O)c1c(Cl)cccc1Cl ZINC000752862028 655847390 /nfs/dbraw/zinc/84/73/90/655847390.db2.gz KNMAZFZBCACUAK-BLLLJJGKSA-N 1 0 392.327 2.683 20 0 GFADRO C[NH+](C)CCOCCNC(=O)N[C@@H]1CCOc2c(Cl)c(Cl)ccc21 ZINC000753675219 655857183 /nfs/dbraw/zinc/85/71/83/655857183.db2.gz DIFJNLXSXNHYMP-CYBMUJFWSA-N 1 0 376.284 2.694 20 0 GFADRO CC[NH+](CC)CCCNS(=O)(=O)c1c(OC)ccc2nc(Cl)ccc21 ZINC000754028971 655862253 /nfs/dbraw/zinc/86/22/53/655862253.db2.gz BRFOYCXJTTXLAA-UHFFFAOYSA-N 1 0 385.917 2.907 20 0 GFADRO Cc1cc(Br)ncc1NC(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1 ZINC000754458017 655868222 /nfs/dbraw/zinc/86/82/22/655868222.db2.gz BBXYJIFRYFHPSP-ZDUSSCGKSA-N 1 0 385.306 2.727 20 0 GFADRO C[C@@H]([NH2+]CCC(C)(C)S(C)(=O)=O)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000840874999 661197536 /nfs/dbraw/zinc/19/75/36/661197536.db2.gz BTQVEDKTAZNALS-LLVKDONJSA-N 1 0 383.482 2.547 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CNC(=S)N1CC(=O)Nc2ccc(Br)cc21 ZINC000755402269 655882916 /nfs/dbraw/zinc/88/29/16/655882916.db2.gz JMAIHUUYUKGTRW-GFCCVEGCSA-N 1 0 397.342 2.566 20 0 GFADRO C[NH+]1CCC([C@H]2CCN(Cn3nnn(Cc4cccs4)c3=S)C2)CC1 ZINC000755779065 655888980 /nfs/dbraw/zinc/88/89/80/655888980.db2.gz HXRFURIMQBJDKC-HNNXBMFYSA-N 1 0 378.571 2.540 20 0 GFADRO C[NH+]1CCC([C@@H]2CCN(Cn3c4cc(Br)ccc4oc3=O)C2)CC1 ZINC000755779558 655888981 /nfs/dbraw/zinc/88/89/81/655888981.db2.gz KELJLTSVVZWWHC-CQSZACIVSA-N 1 0 394.313 2.978 20 0 GFADRO Cc1ccc(N2N=C(Br)C[C@@H]2C(=O)N2CC[C@H](C[NH+](C)C)C2)cc1 ZINC000756093345 655894658 /nfs/dbraw/zinc/89/46/58/655894658.db2.gz GBTWSPCGUJHMPQ-GDBMZVCRSA-N 1 0 393.329 2.692 20 0 GFADRO COc1cc([C@H](C)[NH2+][C@H]2CCC[C@@H](CO)C2)ccc1S(=O)(=O)C(F)F ZINC000840895049 661202074 /nfs/dbraw/zinc/20/20/74/661202074.db2.gz HFOGVPZGGIAUMR-SCRDCRAPSA-N 1 0 377.453 2.893 20 0 GFADRO COC(=O)c1cc(S(=O)(=O)NC[C@H](C)[NH+]2CCC(C)CC2)ccc1Cl ZINC000757493124 655912538 /nfs/dbraw/zinc/91/25/38/655912538.db2.gz WLWUZHFBIIHBBG-ZDUSSCGKSA-N 1 0 388.917 2.525 20 0 GFADRO CC[N@H+](CCNC(=O)c1ccc(OC)c(Br)n1)CCC(F)(F)F ZINC000757615429 655913649 /nfs/dbraw/zinc/91/36/49/655913649.db2.gz RYOYBCOEWHIGAJ-UHFFFAOYSA-N 1 0 398.223 2.857 20 0 GFADRO C[C@H](CNC(=O)C(=O)Nc1cc(F)ccc1Br)[NH+]1CCCCC1 ZINC000757827182 655917373 /nfs/dbraw/zinc/91/73/73/655917373.db2.gz WJBBPRHTGAJPED-LLVKDONJSA-N 1 0 386.265 2.517 20 0 GFADRO Cn1nc(Br)cc1C(=O)NC[C@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000758057310 655922248 /nfs/dbraw/zinc/92/22/48/655922248.db2.gz OGDYJIXYVYSMCL-MRXNPFEDSA-N 1 0 391.313 2.823 20 0 GFADRO O=C(c1cccnc1I)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000758227538 655926679 /nfs/dbraw/zinc/92/66/79/655926679.db2.gz VPFNITXBLPBZCO-ZDUSSCGKSA-N 1 0 399.276 2.777 20 0 GFADRO CCC[N@H+](CCCS(=O)(=O)C(C)C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000758715333 655939461 /nfs/dbraw/zinc/93/94/61/655939461.db2.gz UUFWKOQNHSTFRW-INIZCTEOSA-N 1 0 376.563 2.921 20 0 GFADRO C[C@@H]1CCCC[C@]1(CNC(=O)OC(C)(C)C)[NH2+]CCCCS(C)(=O)=O ZINC000759707728 655961415 /nfs/dbraw/zinc/96/14/15/655961415.db2.gz IPCLQSFRMWNRHU-CRAIPNDOSA-N 1 0 376.563 2.874 20 0 GFADRO C[NH+]1CCC(CNC(=O)c2cnn(-c3ccccc3)c2Br)CC1 ZINC000760216787 655972921 /nfs/dbraw/zinc/97/29/21/655972921.db2.gz CCLJCSKEEJVNQS-UHFFFAOYSA-N 1 0 377.286 2.706 20 0 GFADRO Cn1ncc(C(=O)NC[C@@H]2CCC[N@@H+]2CC2CCCCC2)c1Br ZINC000760256566 655973987 /nfs/dbraw/zinc/97/39/87/655973987.db2.gz GNOYGWTUNXJQFW-AWEZNQCLSA-N 1 0 383.334 2.957 20 0 GFADRO CN(C(=O)c1cnn(-c2ccccc2)c1Br)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000760373539 655977928 /nfs/dbraw/zinc/97/79/28/655977928.db2.gz MOKKNGGZWDUHOD-HNNXBMFYSA-N 1 0 389.297 2.944 20 0 GFADRO Cn1ncc(C(=O)Nc2ccc(OCCC[NH+](C)C)cc2)c1Br ZINC000760412817 655979568 /nfs/dbraw/zinc/97/95/68/655979568.db2.gz LHGDODGPBOIYAF-UHFFFAOYSA-N 1 0 381.274 2.765 20 0 GFADRO C[C@@H]1C[C@H](NS(=O)(=O)/C=C\c2ccccc2Br)C[N@@H+]1C1CC1 ZINC000760593882 655986960 /nfs/dbraw/zinc/98/69/60/655986960.db2.gz FBLZZWVQOQQWOL-WXRQEABKSA-N 1 0 385.327 2.964 20 0 GFADRO C[C@H](C[NH+]1CCOCC1)C(=O)NCC[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC000760736444 655990861 /nfs/dbraw/zinc/99/08/61/655990861.db2.gz IFEFQGYAKVJNCU-MLGOLLRUSA-N 1 0 375.296 2.501 20 0 GFADRO Cc1nn(Cc2ccccc2Cl)c(Cl)c1CNC[C@]1(O)CC[N@@H+](C)C1 ZINC000762569357 656049557 /nfs/dbraw/zinc/04/95/57/656049557.db2.gz SDJJSSPQACPQKT-GOSISDBHSA-N 1 0 383.323 2.703 20 0 GFADRO Cc1csc(SCc2ccc(C(=O)NC[C@@]3(O)CC[N@@H+](C)C3)cc2)n1 ZINC000762714882 656056979 /nfs/dbraw/zinc/05/69/79/656056979.db2.gz DIIKEVOXFWSRIM-SFHVURJKSA-N 1 0 377.535 2.540 20 0 GFADRO C[C@H](C[C@@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]CCC(C)(C)S(C)(=O)=O ZINC000840960019 661219697 /nfs/dbraw/zinc/21/96/97/661219697.db2.gz BQSSMASWTOJWSK-CABCVRRESA-N 1 0 376.563 2.967 20 0 GFADRO Cc1cnc(Br)cc1NC(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000763875439 656095360 /nfs/dbraw/zinc/09/53/60/656095360.db2.gz CZWVNOGGVQWKDM-ZDUSSCGKSA-N 1 0 385.306 2.775 20 0 GFADRO Cc1c(Cl)cccc1NC(=S)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000764503208 656112286 /nfs/dbraw/zinc/11/22/86/656112286.db2.gz LRUOJQYWUUAGHX-INIZCTEOSA-N 1 0 380.945 2.584 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1cnn(-c2ccccc2)c1Br ZINC000765002390 656125632 /nfs/dbraw/zinc/12/56/32/656125632.db2.gz HUJDHAXMSSJNSD-HZPDHXFCSA-N 1 0 389.297 2.991 20 0 GFADRO C[N@@H+]1CCC[C@H]2CN(Cn3c4cc(Br)ccc4oc3=O)CC[C@H]21 ZINC000765103898 656132018 /nfs/dbraw/zinc/13/20/18/656132018.db2.gz CZPJXSITNJBDFY-GXTWGEPZSA-N 1 0 380.286 2.731 20 0 GFADRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)[C@@H](O)c2cc(Cl)cc(Cl)c2)C1 ZINC000765133696 656133208 /nfs/dbraw/zinc/13/32/08/656133208.db2.gz UYGJRRCDWJNXQR-IRXDYDNUSA-N 1 0 389.323 2.986 20 0 GFADRO [NH3+]C[C@H](NC(=O)Nc1cc2c(cc1Br)OCCO2)C1CCCC1 ZINC000841016027 661227754 /nfs/dbraw/zinc/22/77/54/661227754.db2.gz QTAZPELMKCATIF-ZDUSSCGKSA-N 1 0 384.274 2.859 20 0 GFADRO O=C(NCCCC[NH+]1CCOCC1)N1Cc2ccc(Br)cc2C1 ZINC000765225362 656137987 /nfs/dbraw/zinc/13/79/87/656137987.db2.gz OKEZYLRCWNGGPL-UHFFFAOYSA-N 1 0 382.302 2.587 20 0 GFADRO COc1ccc(S(=O)(=O)N2CCC([NH2+][C@@H](C)c3cncs3)CC2)cc1 ZINC000765434116 656142942 /nfs/dbraw/zinc/14/29/42/656142942.db2.gz QAEJCPILJYWXNO-ZDUSSCGKSA-N 1 0 381.523 2.656 20 0 GFADRO COC(=O)N1CCC[C@@H]([NH2+][C@@H](C)CC(=O)Nc2ccc(Br)cc2)C1 ZINC000765633850 656146573 /nfs/dbraw/zinc/14/65/73/656146573.db2.gz LEKQWLUNDUYOLT-SWLSCSKDSA-N 1 0 398.301 2.987 20 0 GFADRO CC[NH+]1CCN(Cc2ccccc2CNC(=O)C2SCCCS2)CC1 ZINC000841049566 661229351 /nfs/dbraw/zinc/22/93/51/661229351.db2.gz LDRKEDXBJUIMLB-UHFFFAOYSA-N 1 0 379.595 2.637 20 0 GFADRO CC(C)O[C@@H]1C[C@@H]([NH2+]CCNS(=O)(=O)c2ccc(Cl)s2)C1(C)C ZINC000765811252 656152835 /nfs/dbraw/zinc/15/28/35/656152835.db2.gz OWGJKYGVYJKQBT-VXGBXAGGSA-N 1 0 380.963 2.862 20 0 GFADRO COCCNc1nn(CN2C[C@@H]([NH+](C)C)Cc3ccccc32)c(=S)s1 ZINC000766339189 656169133 /nfs/dbraw/zinc/16/91/33/656169133.db2.gz MRFSAGRVBAKYCO-AWEZNQCLSA-N 1 0 379.555 2.683 20 0 GFADRO [NH3+][C@H]1CCC[C@H](NC(=O)Nc2cnc(Br)c(Br)c2)C1 ZINC000841142043 661237412 /nfs/dbraw/zinc/23/74/12/661237412.db2.gz LYDOGMRUYWNTIR-YUMQZZPRSA-N 1 0 392.095 2.998 20 0 GFADRO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+][C@@H]1CCCC(F)(F)C1 ZINC000767929901 656227741 /nfs/dbraw/zinc/22/77/41/656227741.db2.gz SEMXESFZMJCRPK-NEPJUHHUSA-N 1 0 381.876 2.872 20 0 GFADRO C[C@H]1CN(C(=O)C(=O)Nc2cccc(Cl)c2SC(F)F)CC[C@@H]1[NH3+] ZINC000841179831 661241958 /nfs/dbraw/zinc/24/19/58/661241958.db2.gz SDXUYEQGSXSDRV-WPRPVWTQSA-N 1 0 377.844 2.789 20 0 GFADRO O=C(NCCO)C1CC[NH+](CC2=Cc3cc(Cl)cc(Cl)c3OC2)CC1 ZINC000768315882 656237174 /nfs/dbraw/zinc/23/71/74/656237174.db2.gz HVEBSWRYAWWOHX-UHFFFAOYSA-N 1 0 385.291 2.590 20 0 GFADRO CC[NH2+]CCNC(=O)C(=O)Nc1ccccc1SC[C@@H]1CC1(Cl)Cl ZINC000841165051 661240743 /nfs/dbraw/zinc/24/07/43/661240743.db2.gz OWJBEPMOXRCQRL-NSHDSACASA-N 1 0 390.336 2.637 20 0 GFADRO CN(C(=O)C(=O)Nc1ccccc1SC(F)(F)F)C1CCC([NH3+])CC1 ZINC000841188235 661242811 /nfs/dbraw/zinc/24/28/11/661242811.db2.gz HNFLCLCOTIKURW-UHFFFAOYSA-N 1 0 375.416 2.965 20 0 GFADRO CN(C(=O)C(=O)Nc1cc(Cl)cc(Br)c1)C1CCC([NH3+])CC1 ZINC000841188029 661243030 /nfs/dbraw/zinc/24/30/30/661243030.db2.gz ANZVUSZKTRHKPE-UHFFFAOYSA-N 1 0 388.693 2.769 20 0 GFADRO C[C@@H]1CN(C(=O)C(=O)Nc2cccc(Cl)c2SC(F)F)[C@H](C)C[NH2+]1 ZINC000841206439 661244285 /nfs/dbraw/zinc/24/42/85/661244285.db2.gz KBRFYKGNESDUNV-RKDXNWHRSA-N 1 0 377.844 2.802 20 0 GFADRO O=C(NCCCCC[NH+]1CCCCC1)c1nccn2c(Br)cnc12 ZINC000769742255 656288835 /nfs/dbraw/zinc/28/88/35/656288835.db2.gz HAWMDVJHDIMREZ-UHFFFAOYSA-N 1 0 394.317 2.878 20 0 GFADRO C[N@@H+]1CC[C@]2(CCN(C(=O)c3cc(=O)c4cc(Br)ccc4o3)C2)C1 ZINC000841243538 661248115 /nfs/dbraw/zinc/24/81/15/661248115.db2.gz UXQGYRCOVQYNKT-SFHVURJKSA-N 1 0 391.265 2.723 20 0 GFADRO COC(=O)C[C@]1([NH2+]Cc2cnc3c(C)cc(Br)cn23)CCCOC1 ZINC000770674166 656326339 /nfs/dbraw/zinc/32/63/39/656326339.db2.gz AYGDLWPJFDVHQB-QGZVFWFLSA-N 1 0 396.285 2.607 20 0 GFADRO Cc1cc(Br)nc(NC(=O)C(=O)NCC[NH2+]C2CCCCCC2)c1 ZINC000841184142 661242318 /nfs/dbraw/zinc/24/23/18/661242318.db2.gz VCJFFWIKDWDDNH-UHFFFAOYSA-N 1 0 397.317 2.520 20 0 GFADRO [NH3+]CCOc1cccc(NC(=O)NCCOc2ncc(Cl)cc2Cl)c1 ZINC000841284138 661251417 /nfs/dbraw/zinc/25/14/17/661251417.db2.gz DQZVMRSNTRXXAN-UHFFFAOYSA-N 1 0 385.251 2.926 20 0 GFADRO O=C(NC1CC[NH+](C2CC2)CC1)c1cc(=O)c2cc(Br)ccc2o1 ZINC000841378413 661256385 /nfs/dbraw/zinc/25/63/85/661256385.db2.gz AERMNFOYNWLRKD-UHFFFAOYSA-N 1 0 391.265 2.912 20 0 GFADRO C[NH+](C)CCN(C1CCCC1)S(=O)(=O)c1ccc2nc(Cl)cnc2c1 ZINC000772951152 656395237 /nfs/dbraw/zinc/39/52/37/656395237.db2.gz DJEDCPYNNAHTLM-UHFFFAOYSA-N 1 0 382.917 2.778 20 0 GFADRO CC[C@@H]([NH2+]CCS(=O)(=O)N1CCOCC1)c1ccc(Cl)cc1Cl ZINC000772961221 656395721 /nfs/dbraw/zinc/39/57/21/656395721.db2.gz NRXVYAJPSPQEQB-OAHLLOKOSA-N 1 0 381.325 2.696 20 0 GFADRO CC[C@H]([NH2+]CCOc1ccc(S(=O)(=O)C(F)(F)F)cc1)[C@H]1CCOC1 ZINC000773133121 656400588 /nfs/dbraw/zinc/40/05/88/656400588.db2.gz QLWNJICYTQPLNX-WFASDCNBSA-N 1 0 381.416 2.764 20 0 GFADRO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)CCSc1nc2ccccc2s1 ZINC000841452860 661267209 /nfs/dbraw/zinc/26/72/09/661267209.db2.gz FMCNQHLYTAUMHZ-ZIAGYGMSSA-N 1 0 379.551 2.692 20 0 GFADRO O=C(NCc1cnc(Br)cn1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000773510724 656454936 /nfs/dbraw/zinc/45/49/36/656454936.db2.gz UNLPAVHSYUSAJU-UHFFFAOYSA-N 1 0 389.297 2.768 20 0 GFADRO C[NH+](C)[C@]1(CNS(=O)(=O)c2ccc3sc(Cl)nc3c2)CCSC1 ZINC000841499942 661275078 /nfs/dbraw/zinc/27/50/78/661275078.db2.gz AFKPNCQOYBZSAH-AWEZNQCLSA-N 1 0 391.971 2.665 20 0 GFADRO O=C(C1CC1)N1CCC([NH2+]C[C@@H](O)c2ccc(F)c(Br)c2)CC1 ZINC000774594418 656538934 /nfs/dbraw/zinc/53/89/34/656538934.db2.gz CLRROSZEJARPQM-MRXNPFEDSA-N 1 0 385.277 2.612 20 0 GFADRO CS[C@@H]1CN(S(=O)(=O)c2ccc3sc(Cl)nc3c2)C[C@@H]1[NH+](C)C ZINC000841511296 661281262 /nfs/dbraw/zinc/28/12/62/661281262.db2.gz BJYQQEGOEHRMII-WCQYABFASA-N 1 0 391.971 2.616 20 0 GFADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)Nc1cc(F)c(Br)c(F)c1 ZINC000775375537 656633103 /nfs/dbraw/zinc/63/31/03/656633103.db2.gz KJZFHZXUUVIGDU-GHMZBOCLSA-N 1 0 390.228 2.712 20 0 GFADRO OC[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CC[C@@H]2SCCS[C@@H]12 ZINC000775391013 656636252 /nfs/dbraw/zinc/63/62/52/656636252.db2.gz BMTFIFZCFLVMGN-KNJMJIDISA-N 1 0 378.607 2.839 20 0 GFADRO C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)C[C@H](O)c1ccc(F)cc1Cl ZINC000775566158 656649997 /nfs/dbraw/zinc/64/99/97/656649997.db2.gz UFSBBNBQDQLDNR-DIFFPNOSSA-N 1 0 386.876 2.853 20 0 GFADRO COC(=O)N1CCC[C@H]([C@H](C)[NH2+]C[C@H](O)c2ccccc2Br)C1 ZINC000775815826 656682423 /nfs/dbraw/zinc/68/24/23/656682423.db2.gz NDZQKEUPVSYRDY-XEZPLFJOSA-N 1 0 385.302 2.939 20 0 GFADRO CS[C@H]1CN(C(=O)c2cc(Cl)c3c(c2)OCCO3)C[C@H]1[NH+]1CCCC1 ZINC000776209869 656720719 /nfs/dbraw/zinc/72/07/19/656720719.db2.gz AIYHIEJJZMMFER-ZBFHGGJFSA-N 1 0 382.913 2.763 20 0 GFADRO Cc1c(Br)cccc1S(=O)(=O)NC[C@@H](C)[NH+]1CCCCC1 ZINC000780715381 657024940 /nfs/dbraw/zinc/02/49/40/657024940.db2.gz KMTURIHCCANESD-GFCCVEGCSA-N 1 0 375.332 2.910 20 0 GFADRO C[C@H](CNS(=O)(=O)c1cc(F)ccc1Br)[NH+]1CCCCC1 ZINC000780715651 657025371 /nfs/dbraw/zinc/02/53/71/657025371.db2.gz MBVTYVRMEWIKMB-LLVKDONJSA-N 1 0 379.295 2.741 20 0 GFADRO CCN(CCC[NH2+][C@H](C)c1cccc(NS(C)(=O)=O)c1)CC(F)(F)F ZINC000781911098 657087933 /nfs/dbraw/zinc/08/79/33/657087933.db2.gz GWKJTAJJVWCQBC-CYBMUJFWSA-N 1 0 381.464 2.983 20 0 GFADRO COc1cc(Br)ccc1CCC[NH+]1CCC2(CNC(=O)O2)CC1 ZINC000781997586 657094969 /nfs/dbraw/zinc/09/49/69/657094969.db2.gz DMTCDGFAFHATSY-UHFFFAOYSA-N 1 0 383.286 2.965 20 0 GFADRO CCO[C@@H]1C[C@](CO)([NH2+]C[C@@H](O)COc2cc(Cl)ccc2Cl)C1(C)C ZINC000782016133 657096206 /nfs/dbraw/zinc/09/62/06/657096206.db2.gz ZPDXGERXIYLDNB-MZMPZRCHSA-N 1 0 392.323 2.889 20 0 GFADRO CS[C@H]1CN(S(=O)(=O)c2cccc(C(F)F)c2)C[C@@H]1[NH+]1CCCC1 ZINC000782481388 657149437 /nfs/dbraw/zinc/14/94/37/657149437.db2.gz FRAYVQSTKLSBPC-GJZGRUSLSA-N 1 0 376.494 2.825 20 0 GFADRO C[C@H](SCCSCCO)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000783614898 657247102 /nfs/dbraw/zinc/24/71/02/657247102.db2.gz PHCGAZRDRXERAB-INIZCTEOSA-N 1 0 382.595 2.614 20 0 GFADRO CC[NH+]1CCN([C@@H](C)CNC(=S)Nc2ccc(Br)cc2)CC1 ZINC000783726557 657255339 /nfs/dbraw/zinc/25/53/39/657255339.db2.gz HSSDIFUCISBKOG-ZDUSSCGKSA-N 1 0 385.375 2.762 20 0 GFADRO CC[C@H](CO)[NH+]1CCN(C(=S)Nc2cccc(OC(F)(F)F)c2)CC1 ZINC000783740526 657257355 /nfs/dbraw/zinc/25/73/55/657257355.db2.gz KZFSFPJWKUQIKV-CYBMUJFWSA-N 1 0 377.432 2.671 20 0 GFADRO COc1ccc(C2([NH2+]Cc3cc(Br)nn3C)CCOCC2)cc1 ZINC000785476340 657366997 /nfs/dbraw/zinc/36/69/97/657366997.db2.gz AYETXIPZQQQPOQ-UHFFFAOYSA-N 1 0 380.286 2.987 20 0 GFADRO CC[NH+]1CCN(c2ccccc2NCc2cc(Br)nn2C)CC1 ZINC000785510383 657370355 /nfs/dbraw/zinc/37/03/55/657370355.db2.gz ZWXONANYHVCOEJ-UHFFFAOYSA-N 1 0 378.318 2.937 20 0 GFADRO COC1CC[NH+](C(C)(C)CNC(=O)c2nc(Br)ccc2C)CC1 ZINC000786914715 657488465 /nfs/dbraw/zinc/48/84/65/657488465.db2.gz DAIJJBMVGGXOLW-UHFFFAOYSA-N 1 0 384.318 2.772 20 0 GFADRO COCC[N@H+](C)CCCC1CCN(Cc2cc(Br)nn2C)CC1 ZINC000787193839 657526893 /nfs/dbraw/zinc/52/68/93/657526893.db2.gz ZOLKLRHWDCZUPU-UHFFFAOYSA-N 1 0 387.366 2.753 20 0 GFADRO COC(=O)[C@@H]1CC[N@H+](Cn2ccc(=O)c3cccc(Br)c32)[C@H]1C ZINC000787244079 657530973 /nfs/dbraw/zinc/53/09/73/657530973.db2.gz MDAVBDYDXKQYQL-NWDGAFQWSA-N 1 0 379.254 2.605 20 0 GFADRO O=C(Nc1cn2cc(Br)ncc2n1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000788147726 657658416 /nfs/dbraw/zinc/65/84/16/657658416.db2.gz ITJATKBXFPLZIT-LBPRGKRZSA-N 1 0 378.274 2.837 20 0 GFADRO O=C(Nc1cn2cc(Br)ncc2n1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000788147725 657658631 /nfs/dbraw/zinc/65/86/31/657658631.db2.gz ITJATKBXFPLZIT-GFCCVEGCSA-N 1 0 378.274 2.837 20 0 GFADRO O=S(=O)(C(F)F)N1CCC(C[NH2+][C@H]2CCc3ccc(Cl)nc32)CC1 ZINC000788639433 657759412 /nfs/dbraw/zinc/75/94/12/657759412.db2.gz OCVSYSWVMFJYIT-LBPRGKRZSA-N 1 0 379.860 2.576 20 0 GFADRO CC[C@@H](C[NH+]1CCCC1)NS(=O)(=O)c1sc(C(=O)OC)c(Cl)c1C ZINC000788645651 657760956 /nfs/dbraw/zinc/76/09/56/657760956.db2.gz QLXIPQJXSPVCHC-NSHDSACASA-N 1 0 394.946 2.649 20 0 GFADRO O[C@H](C[NH2+]Cc1ccc(Br)cc1N1CCOCC1)c1cccnc1 ZINC000788965238 657803995 /nfs/dbraw/zinc/80/39/95/657803995.db2.gz HMYSLYWBWCIQBF-GOSISDBHSA-N 1 0 392.297 2.504 20 0 GFADRO Cc1nn(C)c(C[NH2+][C@H]2CCCN(C(=O)OC(C)(C)C)C2)c1Br ZINC000790469832 657988645 /nfs/dbraw/zinc/98/86/45/657988645.db2.gz ATJZRFFWCDRSOT-LBPRGKRZSA-N 1 0 387.322 2.980 20 0 GFADRO COCCN(C(=O)c1ccc2c[nH+]cn2c1)c1cccc(Br)n1 ZINC000790933687 658046169 /nfs/dbraw/zinc/04/61/69/658046169.db2.gz BRHPCDXRPGTQIZ-UHFFFAOYSA-N 1 0 375.226 2.785 20 0 GFADRO C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)c1cc(Br)n[nH]1 ZINC000791347245 658084125 /nfs/dbraw/zinc/08/41/25/658084125.db2.gz KXWVZIMSBGAXBU-UHFFFAOYSA-N 1 0 387.228 2.654 20 0 GFADRO O=C(NCCN1CCc2ccccc2C1)c1nc(Br)ccc1F ZINC000791498709 658113207 /nfs/dbraw/zinc/11/32/07/658113207.db2.gz GOZOEWUJTWJRQD-UHFFFAOYSA-N 1 0 378.245 2.771 20 0 GFADRO Cc1n[nH]c(C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1Br ZINC000792498515 658292564 /nfs/dbraw/zinc/29/25/64/658292564.db2.gz QOJPWIWUHCPYJN-AWEZNQCLSA-N 1 0 377.286 2.733 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)N(CCO)Cc1cccnc1Cl)c1cccs1 ZINC000792788390 658322575 /nfs/dbraw/zinc/32/25/75/658322575.db2.gz CQDZZPLJSOBICH-AWEZNQCLSA-N 1 0 382.917 2.603 20 0 GFADRO C[C@@H](CCc1ccc(I)cc1)[NH2+]C[C@@H](O)c1cnn(C)c1 ZINC000793003169 658344409 /nfs/dbraw/zinc/34/44/09/658344409.db2.gz DEKZLDMSDWYJOO-BLLLJJGKSA-N 1 0 399.276 2.669 20 0 GFADRO CO[C@H]1CCC[C@H]([NH2+]CCOc2ccc(S(=O)(=O)C(F)(F)F)cc2)C1 ZINC000793029063 658349143 /nfs/dbraw/zinc/34/91/43/658349143.db2.gz NUBUMEVNMGRWJS-JSGCOSHPSA-N 1 0 381.416 2.906 20 0 GFADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)Cc1sc(SC(F)F)nc1C ZINC000793433885 658396237 /nfs/dbraw/zinc/39/62/37/658396237.db2.gz GOLWNMRGMJFOCC-NSHDSACASA-N 1 0 379.498 2.536 20 0 GFADRO CCC(=O)N1CCC([NH2+]Cc2ccc(C(=O)OC)cc2Br)CC1 ZINC000793584140 658411708 /nfs/dbraw/zinc/41/17/08/658411708.db2.gz LVSMLKCJSUHMOG-UHFFFAOYSA-N 1 0 383.286 2.726 20 0 GFADRO Cc1nn(C)c(C[NH2+][C@H](C)CCNC(=O)OC(C)(C)C)c1Br ZINC000793596436 658413982 /nfs/dbraw/zinc/41/39/82/658413982.db2.gz YPTWJGOZURCUMM-SNVBAGLBSA-N 1 0 375.311 2.884 20 0 GFADRO O=c1c(Br)nn(C[N@@H+]2CCOC[C@@H](C3CCC3)C2)c2ccccc12 ZINC000793739876 658431609 /nfs/dbraw/zinc/43/16/09/658431609.db2.gz ACCYODXHMMOLAF-AWEZNQCLSA-N 1 0 392.297 2.865 20 0 GFADRO Cc1ccc(NC(=O)N2CC[NH+](CC3CCOCC3)CC2)nc1Br ZINC000794361973 658530603 /nfs/dbraw/zinc/53/06/03/658530603.db2.gz DFVIBDLPRCXBPD-UHFFFAOYSA-N 1 0 397.317 2.729 20 0 GFADRO O=C(Nc1cccc(C[N@H+]2CC[C@@H](O)C2)c1)c1ccc(Br)nc1 ZINC000794562900 658562155 /nfs/dbraw/zinc/56/21/55/658562155.db2.gz BYYSWQUUWDZBHW-OAHLLOKOSA-N 1 0 376.254 2.663 20 0 GFADRO CCC[N@H+](C)C[C@@H]1CCN(Cn2c(=O)oc3cccc(Br)c32)C1 ZINC000794637054 658587624 /nfs/dbraw/zinc/58/76/24/658587624.db2.gz OTXULKRIVKATSQ-ZDUSSCGKSA-N 1 0 382.302 2.978 20 0 GFADRO C[N@H+](CC1CC1)C[C@@H]1CCN(Cn2c(=O)oc3cccc(Br)c32)C1 ZINC000794637912 658587753 /nfs/dbraw/zinc/58/77/53/658587753.db2.gz ZZDMAMQPOHWCDQ-AWEZNQCLSA-N 1 0 394.313 2.978 20 0 GFADRO C[C@@H]1OCC[C@@]12C[N@H+](Cn1ccc(=O)c3cccc(Br)c31)CCO2 ZINC000794662700 658593098 /nfs/dbraw/zinc/59/30/98/658593098.db2.gz OXLDRGSUILTNDP-SCLBCKFNSA-N 1 0 393.281 2.601 20 0 GFADRO C[C@H](Cc1cnccn1)[NH2+][C@@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000794807601 658617503 /nfs/dbraw/zinc/61/75/03/658617503.db2.gz ZQGKGTNNLJILJB-ZJUUUORDSA-N 1 0 389.308 2.713 20 0 GFADRO CCCN(CC[NH+]1CCCC1)S(=O)(=O)c1c(Cl)nc2sccn21 ZINC000796091685 658889507 /nfs/dbraw/zinc/88/95/07/658889507.db2.gz DBUKXLOPZGRPMQ-UHFFFAOYSA-N 1 0 376.935 2.546 20 0 GFADRO O=S(=O)(NCC[NH2+]Cc1ccc(F)nc1)c1cccc(Cl)c1Cl ZINC000796466882 658918392 /nfs/dbraw/zinc/91/83/92/658918392.db2.gz VLCBEZBYNWNKNF-UHFFFAOYSA-N 1 0 378.256 2.596 20 0 GFADRO CCCCn1nc(C)c(C[NH2+]C[C@@H]2CCCC[C@@H]2NS(C)(=O)=O)c1Cl ZINC000796485305 658919598 /nfs/dbraw/zinc/91/95/98/658919598.db2.gz WVTPJAKDGGTTNT-HOCLYGCPSA-N 1 0 390.981 2.843 20 0 GFADRO C[NH+]1CCC2(CCCN(S(=O)(=O)c3ccc(Br)cc3)C2)CC1 ZINC000798466240 659109530 /nfs/dbraw/zinc/10/95/30/659109530.db2.gz RIMYAKNEKCTAFJ-UHFFFAOYSA-N 1 0 387.343 2.946 20 0 GFADRO CC(C)[C@@H](C(=O)OC[C@H]1CC(=O)N(c2ccc(Br)cc2)C1)[NH+](C)C ZINC000798854121 659151128 /nfs/dbraw/zinc/15/11/28/659151128.db2.gz MVVDKSBXKFFYLH-GUYCJALGSA-N 1 0 397.313 2.931 20 0 GFADRO OCC[N@@H+](Cc1cc(Br)cs1)C[C@H](O)c1ccc(F)cn1 ZINC000799324381 659180925 /nfs/dbraw/zinc/18/09/25/659180925.db2.gz QMWQBDGTZSQHCR-AWEZNQCLSA-N 1 0 375.263 2.573 20 0 GFADRO Cn1nc(Br)cc1C(=O)NCC[NH+]1CCC2(CCCCC2)CC1 ZINC000799740847 659219308 /nfs/dbraw/zinc/21/93/08/659219308.db2.gz FLXZDTDSUUUMBQ-UHFFFAOYSA-N 1 0 383.334 2.959 20 0 GFADRO O=C(OCCC[NH+]1CCCC1)[C@H]1CSCN1C(=O)c1ccc(Cl)cc1 ZINC000800163918 659282768 /nfs/dbraw/zinc/28/27/68/659282768.db2.gz UYANCXRFEAIROF-MRXNPFEDSA-N 1 0 382.913 2.884 20 0 GFADRO Cc1nn(C)c(C[NH2+]CCCNC(=O)/C=C\c2ccccc2)c1Br ZINC000800311581 659300278 /nfs/dbraw/zinc/30/02/78/659300278.db2.gz KMELBOICZBDWJJ-KTKRTIGZSA-N 1 0 391.313 2.800 20 0 GFADRO CC(C)(C)OC(=O)N1CC(C[NH2+][C@@H](CO)c2cccc(Br)c2)C1 ZINC000800370578 659304897 /nfs/dbraw/zinc/30/48/97/659304897.db2.gz JXTLMHROKINBPR-HNNXBMFYSA-N 1 0 385.302 2.939 20 0 GFADRO O=C(/C=C\c1ccc(Br)o1)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000800648498 659325025 /nfs/dbraw/zinc/32/50/25/659325025.db2.gz BRQVRIOQJDTCOG-SDQPKGBYSA-N 1 0 383.286 2.626 20 0 GFADRO Cc1nn(C)c(Br)c1C(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000800839645 659336581 /nfs/dbraw/zinc/33/65/81/659336581.db2.gz LXJJQYWXIMDYBJ-UHFFFAOYSA-N 1 0 391.313 2.669 20 0 GFADRO Cc1nn(C)c(Br)c1C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000800916716 659347654 /nfs/dbraw/zinc/34/76/54/659347654.db2.gz IFLHEIYVJDSMQS-OAHLLOKOSA-N 1 0 391.313 2.838 20 0 GFADRO Cc1nn(C)c(Br)c1C(=O)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000800940537 659355217 /nfs/dbraw/zinc/35/52/17/659355217.db2.gz TURVXEAYGRJZGK-DOMZBBRYSA-N 1 0 391.313 2.741 20 0 GFADRO Cc1nn(C)c(Br)c1C(=O)N1CCC[C@H]([NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC000801091142 659367465 /nfs/dbraw/zinc/36/74/65/659367465.db2.gz VELNTTDVEBRUQH-OBJOEFQTSA-N 1 0 383.334 2.968 20 0 GFADRO C[C@H](CNC(=O)NC[C@@H](O)c1cccc(Br)c1)[NH+]1CCCCC1 ZINC000801754272 659422702 /nfs/dbraw/zinc/42/27/02/659422702.db2.gz CQPGZCXEAKKMKL-CZUORRHYSA-N 1 0 384.318 2.656 20 0 GFADRO CC(C)[NH+](CCNC(=O)NC[C@@H](O)c1cccc(Br)c1)C(C)C ZINC000801962249 659436604 /nfs/dbraw/zinc/43/66/04/659436604.db2.gz ZGPFSGDKIABZTG-MRXNPFEDSA-N 1 0 386.334 2.901 20 0 GFADRO CC(C)(C)OC(=O)CS(=O)(=O)CC[NH2+][C@@H]1CCSc2ccc(F)cc21 ZINC000806626029 659838088 /nfs/dbraw/zinc/83/80/88/659838088.db2.gz XKZMTFXKEGIPMP-CQSZACIVSA-N 1 0 389.514 2.709 20 0 GFADRO C[C@@H]1CCC[N@@H+]1CCNC(=O)C(=O)Nc1cc(Cl)ccc1C(F)(F)F ZINC000806919452 659844356 /nfs/dbraw/zinc/84/43/56/659844356.db2.gz QODJOCZCFGFTLX-SNVBAGLBSA-N 1 0 377.794 2.898 20 0 GFADRO CC(=O)c1cc(Br)ccc1OCC(=O)N1CCC12CC[NH+](C)CC2 ZINC000806925688 659844694 /nfs/dbraw/zinc/84/46/94/659844694.db2.gz RWRGQZKZDXGBRU-UHFFFAOYSA-N 1 0 395.297 2.727 20 0 GFADRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1CN1Cc2cccc(Br)c2C1=O ZINC000808194395 659881577 /nfs/dbraw/zinc/88/15/77/659881577.db2.gz YBGYTUKKPCXDSD-XJKSGUPXSA-N 1 0 378.314 2.921 20 0 GFADRO Cc1c(O)ccc2c(C[N@H+](C)CCn3cc(Br)cn3)cc(=O)oc12 ZINC000808801681 659907235 /nfs/dbraw/zinc/90/72/35/659907235.db2.gz VCFAIXXMEMLKDA-UHFFFAOYSA-N 1 0 392.253 2.898 20 0 GFADRO CC[NH+](CC)CC(=O)N1CCN(c2cc(C(F)(F)F)cc(Cl)n2)CC1 ZINC000809352741 659923792 /nfs/dbraw/zinc/92/37/92/659923792.db2.gz GIQSPEOAWNYCCD-UHFFFAOYSA-N 1 0 378.826 2.744 20 0 GFADRO CC(C)(C)OC(=O)N(CC[NH2+][C@H]1CCC[C@H](S(C)(=O)=O)C1)C(C)(C)C ZINC000809622347 659933978 /nfs/dbraw/zinc/93/39/78/659933978.db2.gz ZCBOYFLJMPGGTD-GJZGRUSLSA-N 1 0 376.563 2.967 20 0 GFADRO C[C@@H]1C[C@H](N2CCOCC2)C[N@@H+]1Cc1ccccc1I ZINC000809700667 659936448 /nfs/dbraw/zinc/93/64/48/659936448.db2.gz LQGYMCHKUSNLRW-HIFRSBDPSA-N 1 0 386.277 2.586 20 0 GFADRO C[C@@H](CS(C)(=O)=O)[N@H+](C)C[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)CC1 ZINC000809946362 659952807 /nfs/dbraw/zinc/95/28/07/659952807.db2.gz TZDAPNNZBQVJJB-JYJNAYRXSA-N 1 0 376.563 2.682 20 0 GFADRO CN1CC[C@H]([NH2+]CCCNC(=O)C(F)(F)F)[C@H]1c1ccc(Cl)c(F)c1 ZINC000810062976 659958723 /nfs/dbraw/zinc/95/87/23/659958723.db2.gz NBYRPSVTGLQMEV-UONOGXRCSA-N 1 0 381.801 2.883 20 0 GFADRO CC[NH+](CC)CCOc1ccc(NC(=O)c2c(Br)nnn2C)cc1 ZINC000810063202 659958781 /nfs/dbraw/zinc/95/87/81/659958781.db2.gz OPQMDNVHJOWOFQ-UHFFFAOYSA-N 1 0 396.289 2.551 20 0 GFADRO CSC1(CNS(=O)(=O)C2=Cc3ccccc3OCC2)CC[NH+](C)CC1 ZINC000810084230 659960441 /nfs/dbraw/zinc/96/04/41/659960441.db2.gz VNZMJSOIHQLZMH-UHFFFAOYSA-N 1 0 382.551 2.557 20 0 GFADRO CCNS(=O)(=O)CC[NH2+][C@@H](c1ccc(OC)cc1Br)C(C)C ZINC000810225414 659967226 /nfs/dbraw/zinc/96/72/26/659967226.db2.gz CWZDOSWPZHGBSC-OAHLLOKOSA-N 1 0 393.347 2.684 20 0 GFADRO Cn1nnc(Br)c1C(=O)N[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000810435027 659973189 /nfs/dbraw/zinc/97/31/89/659973189.db2.gz SLWGNCQASOXOGW-AWEZNQCLSA-N 1 0 392.301 2.535 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)OCCOc2cncc(Br)c2)C1 ZINC000810628810 659980492 /nfs/dbraw/zinc/98/04/92/659980492.db2.gz SORXIPDACABWEN-MRXNPFEDSA-N 1 0 389.265 2.979 20 0 GFADRO O=C(O[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1cn(-c2ccccc2Br)nn1 ZINC000810837849 659988407 /nfs/dbraw/zinc/98/84/07/659988407.db2.gz PJSLJQSKIYTDHK-STQMWFEESA-N 1 0 391.269 2.813 20 0 GFADRO COC(=O)c1ccc(Cl)c(C(=O)N2C[C@@H](SC)[C@H]([NH+]3CCCC3)C2)c1 ZINC000811034131 659995348 /nfs/dbraw/zinc/99/53/48/659995348.db2.gz OPDXIPTVOUKBJI-HZPDHXFCSA-N 1 0 382.913 2.778 20 0 GFADRO C[NH+](C)CCCOc1cnccc1CNC(=O)c1scnc1Br ZINC000811533366 660011517 /nfs/dbraw/zinc/01/15/17/660011517.db2.gz QZHHFMTXDQCDEI-UHFFFAOYSA-N 1 0 399.314 2.561 20 0 GFADRO COC(=O)N1CC(C)([NH2+]Cc2ccc(OC(F)F)c(Br)c2)C1 ZINC000813327371 660051264 /nfs/dbraw/zinc/05/12/64/660051264.db2.gz FUMHNEBZAHHKTQ-UHFFFAOYSA-N 1 0 379.201 2.981 20 0 GFADRO C[C@H](CNS(=O)(=O)c1cccc(OC(F)(F)F)c1F)[NH+]1CCCCC1 ZINC000813654737 660058989 /nfs/dbraw/zinc/05/89/89/660058989.db2.gz WNOVNWJUQWSJOU-LLVKDONJSA-N 1 0 384.395 2.877 20 0 GFADRO C[N@@H+]1CC[C@@]2(CCN(S(=O)(=O)/C=C/c3ccc(Br)cc3)C2)C1 ZINC000813760403 660063393 /nfs/dbraw/zinc/06/33/93/660063393.db2.gz SVOUVZQITPRDFH-HKUPYCBJSA-N 1 0 385.327 2.777 20 0 GFADRO C[C@@](O)(C[NH+]1CCC(CC(N)=O)CC1)c1ccc(Br)cc1Cl ZINC000815018524 660102118 /nfs/dbraw/zinc/10/21/18/660102118.db2.gz SEGRBTFDUUZRMC-MRXNPFEDSA-N 1 0 389.721 2.897 20 0 GFADRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+]C[C@@](C)(O)c1ccc(Br)cc1Cl ZINC000815103161 660112438 /nfs/dbraw/zinc/11/24/38/660112438.db2.gz VWVPXBLHVZCHLZ-DJSGYFEHSA-N 1 0 389.721 2.814 20 0 GFADRO Cc1cc(Br)cc(C)c1N1CCC[C@@H]([NH2+]Cc2cnn(C)n2)C1 ZINC000815139876 660114345 /nfs/dbraw/zinc/11/43/45/660114345.db2.gz HZXVMWQQDRCZRC-OAHLLOKOSA-N 1 0 378.318 2.953 20 0 GFADRO O[C@@H](COc1c(Cl)cccc1Cl)C[NH+]1CCC2(CC1)OCCCO2 ZINC000815157483 660114690 /nfs/dbraw/zinc/11/46/90/660114690.db2.gz FEUUFCZPXKRDMQ-CYBMUJFWSA-N 1 0 376.280 2.962 20 0 GFADRO C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1nc(Br)ccc1Br ZINC000816766960 660168217 /nfs/dbraw/zinc/16/82/17/660168217.db2.gz LTLDDSWVJGSAEW-WPRPVWTQSA-N 1 0 391.107 2.771 20 0 GFADRO O=C(NCCc1ccc(Br)cc1F)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000841795690 661313647 /nfs/dbraw/zinc/31/36/47/661313647.db2.gz URRMMPPFZRHBMJ-QGZVFWFLSA-N 1 0 384.293 2.916 20 0 GFADRO O=C(NC[C@H]1CCC[N@H+]1CCCO)Nc1cnc(Cl)c(C(F)(F)F)c1 ZINC000841798887 661314364 /nfs/dbraw/zinc/31/43/64/661314364.db2.gz MYWJGSQTISWAAA-LLVKDONJSA-N 1 0 380.798 2.722 20 0 GFADRO CCOC(=O)N1CC[C@@H]([NH2+]Cc2ccc(F)cc2I)C1 ZINC000841872422 661316849 /nfs/dbraw/zinc/31/68/49/661316849.db2.gz MFLSZTVBUJWFSG-GFCCVEGCSA-N 1 0 392.212 2.751 20 0 GFADRO CN(C[C@H](O)c1ccccc1Br)C(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000841950422 661318254 /nfs/dbraw/zinc/31/82/54/661318254.db2.gz SYXAOHWJHYBFEG-IRXDYDNUSA-N 1 0 392.297 2.824 20 0 GFADRO CCC[NH2+]CCNC(=O)N1CCC[C@H]([C@H](O)c2ccc(Br)cc2)C1 ZINC000841960841 661318432 /nfs/dbraw/zinc/31/84/32/661318432.db2.gz HFRMSNXDKJLPPO-DOTOQJQBSA-N 1 0 398.345 2.904 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)N2CCO[C@@H](c3ccccc3Br)C2)CC[NH2+]1 ZINC000841988441 661318978 /nfs/dbraw/zinc/31/89/78/661318978.db2.gz TZKKGGGCJZPBDY-XJKCOSOUSA-N 1 0 382.302 2.673 20 0 GFADRO C[NH2+]C[C@@H](C)c1noc(-c2ccc(S(=O)(=O)N3CCC(C)CC3)s2)n1 ZINC000842582390 661344297 /nfs/dbraw/zinc/34/42/97/661344297.db2.gz IKAZJSPOTQQSKY-GFCCVEGCSA-N 1 0 384.527 2.542 20 0 GFADRO CCN(CC)[C@@H](C[NH2+]Cc1ccc(S(N)(=O)=O)cc1F)c1ccsc1 ZINC000842668717 661348085 /nfs/dbraw/zinc/34/80/85/661348085.db2.gz IPUSZJZNFGTUDQ-KRWDZBQOSA-N 1 0 385.530 2.707 20 0 GFADRO O=C1[C@@H](c2nc([C@H]3CCC[NH2+]C3)no2)CCN1c1ccccc1Br ZINC000842666215 661348156 /nfs/dbraw/zinc/34/81/56/661348156.db2.gz XDBROLCZJQZJMA-NWDGAFQWSA-N 1 0 391.269 2.820 20 0 GFADRO CC(=O)c1cc(S(=O)(=O)N2CCCC[C@@H]2[C@H](C)[NH3+])ccc1Br ZINC000842690667 661349640 /nfs/dbraw/zinc/34/96/40/661349640.db2.gz XOBSQGJVMWPMRT-ZUZCIYMTSA-N 1 0 389.315 2.542 20 0 GFADRO COc1cc(Cl)c(S(=O)(=O)NCc2ccc(CC[NH3+])cc2)cc1Cl ZINC000842701586 661349867 /nfs/dbraw/zinc/34/98/67/661349867.db2.gz OTGXNQKCDJKDDZ-UHFFFAOYSA-N 1 0 389.304 2.982 20 0 GFADRO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]CC1CCC(F)CC1 ZINC000842775096 661353445 /nfs/dbraw/zinc/35/34/45/661353445.db2.gz MZRDIVFLRBGSQW-RUXDESIVSA-N 1 0 377.913 2.822 20 0 GFADRO [NH3+]CCN(Cc1ccccc1)S(=O)(=O)c1cc2c(cc1Cl)CCC2=O ZINC000842792175 661354308 /nfs/dbraw/zinc/35/43/08/661354308.db2.gz KFZGJXWFCQAHJE-UHFFFAOYSA-N 1 0 378.881 2.619 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H]2CN(S(=O)(=O)/C=C\c3ccc(Br)cc3)C[C@H]21 ZINC000842793717 661354506 /nfs/dbraw/zinc/35/45/06/661354506.db2.gz MYWHVSQFISSYQJ-CNGXOOJCSA-N 1 0 385.327 2.809 20 0 GFADRO COC(=O)c1cc(S(=O)(=O)N2CCC[C@@H](CC[NH3+])C2)c(Cl)cc1Cl ZINC000842839055 661356868 /nfs/dbraw/zinc/35/68/68/661356868.db2.gz XOJXPKGTBAUUTB-JTQLQIEISA-N 1 0 395.308 2.530 20 0 GFADRO CC(C)[N@@H+]1CCC[C@@H](COC(=O)c2ccc(S(=O)(=O)C(F)F)cc2)C1 ZINC000842833468 661356907 /nfs/dbraw/zinc/35/69/07/661356907.db2.gz KDQYLKWFXZQQMC-CYBMUJFWSA-N 1 0 375.437 2.960 20 0 GFADRO O=S(=O)(/C=C\c1ccccc1Br)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000842871383 661358121 /nfs/dbraw/zinc/35/81/21/661358121.db2.gz CCSGFVWCWMFUDU-LEQAYGSTSA-N 1 0 385.327 2.681 20 0 GFADRO C[C@H]([NH2+]CCS(=O)(=O)c1cccc(Br)c1)[C@@H](O)c1ccccc1 ZINC000843064461 661365752 /nfs/dbraw/zinc/36/57/52/661365752.db2.gz YRKQWTDCFFOFAR-SUMWQHHRSA-N 1 0 398.322 2.935 20 0 GFADRO CC(C)C[C@@H](O)C[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000843067859 661366003 /nfs/dbraw/zinc/36/60/03/661366003.db2.gz BZSTYXIFIGAREU-CHWSQXEVSA-N 1 0 380.710 2.839 20 0 GFADRO O[C@@H](C[NH2+]C[C@H](O)COc1cccc(F)c1)c1ccccc1Br ZINC000843065933 661366046 /nfs/dbraw/zinc/36/60/46/661366046.db2.gz NJAWYNBFUROJGA-GUYCJALGSA-N 1 0 384.245 2.651 20 0 GFADRO O[C@H](C[NH2+]C[C@@H](O)c1ccc(F)cc1Cl)COc1ccc(F)c(F)c1 ZINC000843070472 661366327 /nfs/dbraw/zinc/36/63/27/661366327.db2.gz BEZZYSCMGTTXKJ-PIGZYNQJSA-N 1 0 375.774 2.820 20 0 GFADRO CC(C)(C[NH2+]C[C@@](C)(O)c1ccc(Br)cc1Cl)OCCO ZINC000843082324 661366960 /nfs/dbraw/zinc/36/69/60/661366960.db2.gz SDMLOHZJEUIUOX-OAHLLOKOSA-N 1 0 380.710 2.687 20 0 GFADRO CN(Cc1ccccc1)C[C@@H](O)C[NH2+]C[C@H](O)c1ccccc1Br ZINC000843092436 661367509 /nfs/dbraw/zinc/36/75/09/661367509.db2.gz CZMNFSNKUAYHOX-LPHOPBHVSA-N 1 0 393.325 2.565 20 0 GFADRO O[C@@H](C[NH2+]CC[C@H](O)c1ccc(Cl)c(Cl)c1)COC1CCOCC1 ZINC000843100783 661367995 /nfs/dbraw/zinc/36/79/95/661367995.db2.gz ZRVFUQUIZQVOMR-GUYCJALGSA-N 1 0 378.296 2.563 20 0 GFADRO OC[C@H](C[C@H](O)c1ccccc1)[NH2+]C[C@H](O)c1cccc(Br)c1 ZINC000843104008 661368165 /nfs/dbraw/zinc/36/81/65/661368165.db2.gz CZOGHRNKBMBOLF-BZSNNMDCSA-N 1 0 380.282 2.557 20 0 GFADRO O[C@H](C[NH2+]C[C@H](O)c1cccc(Br)c1)COCc1ccccc1 ZINC000843113181 661368885 /nfs/dbraw/zinc/36/88/85/661368885.db2.gz OISPKAJCEVUZAH-MSOLQXFVSA-N 1 0 380.282 2.650 20 0 GFADRO O[C@H](C[NH2+]C[C@@H](O)c1cccc(Br)c1)COCc1ccccc1F ZINC000843113614 661369260 /nfs/dbraw/zinc/36/92/60/661369260.db2.gz ZEVXLSPWPKSVFX-SJLPKXTDSA-N 1 0 398.272 2.789 20 0 GFADRO C[C@](O)(C[NH2+][C@@H]1COc2ccccc2[C@@H]1O)c1ccc(Br)cc1F ZINC000843116375 661369606 /nfs/dbraw/zinc/36/96/06/661369606.db2.gz NHTJFLIVTDDEBL-NJAFHUGGSA-N 1 0 396.256 2.880 20 0 GFADRO Ic1ccccc1CN1CC[NH2+]C[C@H]1c1ccncc1 ZINC000843120303 661370031 /nfs/dbraw/zinc/37/00/31/661370031.db2.gz DODBKXAQWAMJHL-INIZCTEOSA-N 1 0 379.245 2.833 20 0 GFADRO O=C1C[C@H](c2nc(C3CC[NH2+]CC3)no2)CN1c1cccc(Br)c1 ZINC000843137835 661370548 /nfs/dbraw/zinc/37/05/48/661370548.db2.gz FULHPGCUEADCQR-LBPRGKRZSA-N 1 0 391.269 2.820 20 0 GFADRO Ic1cc(-c2noc(CC[C@H]3CC[NH2+]C3)n2)cs1 ZINC000843212446 661373098 /nfs/dbraw/zinc/37/30/98/661373098.db2.gz IJOPSTIKOSPDQW-QMMMGPOBSA-N 1 0 375.235 2.945 20 0 GFADRO Ic1cc(-c2noc(CC[C@@H]3CC[NH2+]C3)n2)cs1 ZINC000843212443 661373132 /nfs/dbraw/zinc/37/31/32/661373132.db2.gz IJOPSTIKOSPDQW-MRVPVSSYSA-N 1 0 375.235 2.945 20 0 GFADRO CC(C)([NH3+])CCc1nc(-c2ccc3ncc(I)n3c2)no1 ZINC000843224085 661373687 /nfs/dbraw/zinc/37/36/87/661373687.db2.gz LBGUMJMUDQHWCC-UHFFFAOYSA-N 1 0 397.220 2.659 20 0 GFADRO C[C@H]([NH3+])[C@H]1CN(C(=O)C(C)(C)Sc2ccc(Br)cc2)CCO1 ZINC000843357185 661378650 /nfs/dbraw/zinc/37/86/50/661378650.db2.gz PIXAWRZUEHGQKG-SMDDNHRTSA-N 1 0 387.343 2.894 20 0 GFADRO CN(CC[N@H+](C)C1CCN(C)CC1)Cc1cc(Br)cnc1Cl ZINC000843408198 661380022 /nfs/dbraw/zinc/38/00/22/661380022.db2.gz AZHLXGGRFQAKRR-UHFFFAOYSA-N 1 0 389.769 2.955 20 0 GFADRO C[C@H]1C[C@@H]([NH2+]Cc2ccc(S(C)(=O)=O)s2)CN(C(=O)OC(C)(C)C)C1 ZINC000843407043 661380125 /nfs/dbraw/zinc/38/01/25/661380125.db2.gz XSSSVMMRKHITKO-QWHCGFSZSA-N 1 0 388.555 2.887 20 0 GFADRO O=C(CO[C@H]1CCC[NH2+]C1)N1CCO[C@@H](c2cc(F)c(Cl)cc2Cl)C1 ZINC000843431629 661381074 /nfs/dbraw/zinc/38/10/74/661381074.db2.gz JCSLTPNXYLAVKP-MEDUHNTESA-N 1 0 391.270 2.801 20 0 GFADRO C[C@@H](CNC(=O)CO[C@@H]1CCC[NH2+]C1)Sc1ccc(Br)cc1 ZINC000843437195 661381738 /nfs/dbraw/zinc/38/17/38/661381738.db2.gz QHEMMOFXLOYEJC-GXTWGEPZSA-N 1 0 387.343 2.815 20 0 GFADRO COc1ccc(Br)c(CC(=O)Nc2cnn(C3CC[NH2+]CC3)c2)c1 ZINC000843458644 661382098 /nfs/dbraw/zinc/38/20/98/661382098.db2.gz AZJAGWWQYBZCSQ-UHFFFAOYSA-N 1 0 393.285 2.760 20 0 GFADRO C[NH+]1CCN(c2ccccc2NC(=O)c2nscc2Br)CC1 ZINC000844298556 661413083 /nfs/dbraw/zinc/41/30/83/661413083.db2.gz LXXHKNYBMUVGAJ-UHFFFAOYSA-N 1 0 381.299 2.910 20 0 GFADRO COC(=O)CC1([NH2+]C[C@@H](O)COc2ccc(Cl)cc2Br)CC1 ZINC000844387500 661418765 /nfs/dbraw/zinc/41/87/65/661418765.db2.gz QMZJQPMXCKBQGD-LLVKDONJSA-N 1 0 392.677 2.528 20 0 GFADRO CC(C)S(=O)(=O)CC[N@@H+]1CCC[C@@H](C)[C@H]1CCNC(=O)OC(C)(C)C ZINC000844399552 661419395 /nfs/dbraw/zinc/41/93/95/661419395.db2.gz CHKXGXNCUYFEOK-HZPDHXFCSA-N 1 0 376.563 2.825 20 0 GFADRO CC(C)[C@@H](CNC(=O)NCCC[C@H]1CC1(Cl)Cl)[NH+]1CCN(C)CC1 ZINC000844870156 661445656 /nfs/dbraw/zinc/44/56/56/661445656.db2.gz XXDLLOUSASKONM-LSDHHAIUSA-N 1 0 379.376 2.532 20 0 GFADRO [NH3+][C@@H]1CCC[C@H]1Cc1nc(-c2n[nH]c(-c3cccc(Br)c3)n2)no1 ZINC000844918859 661449213 /nfs/dbraw/zinc/44/92/13/661449213.db2.gz CURGHPMZTSGLSO-JOYOIKCWSA-N 1 0 389.257 2.954 20 0 GFADRO [NH3+]CC(F)(F)Cc1nc(Cc2cccc(F)c2I)no1 ZINC000844914656 661449278 /nfs/dbraw/zinc/44/92/78/661449278.db2.gz LFLVSAYFGQWEOK-UHFFFAOYSA-N 1 0 397.138 2.541 20 0 GFADRO C[C@@H]1[C@H](COC(=O)Cc2cc3c(cc2Br)OCCO3)CC[N@@H+]1C ZINC000845819471 661498506 /nfs/dbraw/zinc/49/85/06/661498506.db2.gz OGZTYSPORVKOBP-NEPJUHHUSA-N 1 0 384.270 2.646 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2S(=O)(=O)Cc2cc(Cl)ccc2F)C1 ZINC000846235499 661539915 /nfs/dbraw/zinc/53/99/15/661539915.db2.gz XBIFWDMWUSVCLT-OIISXLGYSA-N 1 0 390.908 2.670 20 0 GFADRO [NH3+]CC1(CCNC(=O)C(=O)Nc2cccc(Cl)c2SC(F)F)CC1 ZINC000846323749 661545145 /nfs/dbraw/zinc/54/51/45/661545145.db2.gz YRRPKPIIGGYDPE-UHFFFAOYSA-N 1 0 377.844 2.838 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(C(=O)/C=C\c3ccc(Br)o3)C2)C1 ZINC000846690296 661561913 /nfs/dbraw/zinc/56/19/13/661561913.db2.gz QDZCOLMNIUPMCY-AMLSAYBGSA-N 1 0 383.286 2.800 20 0 GFADRO O=C(Nc1ccc(Br)nc1)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000847157710 661577764 /nfs/dbraw/zinc/57/77/64/661577764.db2.gz GJRXKCDPSQUEEE-AWEZNQCLSA-N 1 0 383.290 2.563 20 0 GFADRO C[NH+](C)C[C@@H]1CN(C(=O)c2cnc(F)c(Br)c2)c2ccccc2O1 ZINC000847573858 661598443 /nfs/dbraw/zinc/59/84/43/661598443.db2.gz SDELGAUBYUOQHI-GFCCVEGCSA-N 1 0 394.244 2.953 20 0 GFADRO O=C(NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1nc(Cl)sc1Cl ZINC000847587695 661600050 /nfs/dbraw/zinc/60/00/50/661600050.db2.gz BISIVGVBTIHVTF-QWRGUYRKSA-N 1 0 378.325 2.948 20 0 GFADRO COCC[NH+]1CCC(OC(=O)[C@H]2CCOc3ccc(Br)cc32)CC1 ZINC000847886313 661615404 /nfs/dbraw/zinc/61/54/04/661615404.db2.gz AZNWOSGJGRHDNT-HNNXBMFYSA-N 1 0 398.297 2.969 20 0 GFADRO C[NH+](C)[C@H]1CCCN(C(=O)c2ccccc2S(=O)(=O)C(F)(F)F)CC1 ZINC000847910344 661616285 /nfs/dbraw/zinc/61/62/85/661616285.db2.gz XOQAJYBQWZHXJQ-LBPRGKRZSA-N 1 0 378.416 2.536 20 0 GFADRO CN(CCC[N@H+](C)Cc1ccncc1)C(=O)c1nc(F)ccc1Br ZINC000848093689 661624559 /nfs/dbraw/zinc/62/45/59/661624559.db2.gz JQCJDZCWNOIUSO-UHFFFAOYSA-N 1 0 395.276 2.972 20 0 GFADRO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(c2cc(C(F)(F)F)cc(Cl)n2)CC1 ZINC000848673003 661671544 /nfs/dbraw/zinc/67/15/44/661671544.db2.gz HYCYCSUJSALTEJ-GFCCVEGCSA-N 1 0 376.810 2.672 20 0 GFADRO Cc1c(Br)cccc1C[NH2+]C[C@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC000848676382 661672205 /nfs/dbraw/zinc/67/22/05/661672205.db2.gz MAYFYQGSFRJJCO-KRWDZBQOSA-N 1 0 398.322 2.984 20 0 GFADRO COc1ccc(Br)cc1C[C@@H](CO)CNC(=[NH2+])NCCC(C)C ZINC000849116547 661693218 /nfs/dbraw/zinc/69/32/18/661693218.db2.gz MJXNFCCHFBXAEP-CYBMUJFWSA-N 1 0 386.334 2.769 20 0 GFADRO CS(=O)(=O)CC1(CNC(=[NH2+])Nc2ccc(OC(F)(F)F)cc2)CCC1 ZINC000849117800 661693653 /nfs/dbraw/zinc/69/36/53/661693653.db2.gz WDXCPIBHHSKGDJ-UHFFFAOYSA-N 1 0 379.404 2.736 20 0 GFADRO O=C(Cc1noc(-c2sc3c(c2Br)C[NH2+]C3)n1)NC1CCCC1 ZINC000849228055 661699596 /nfs/dbraw/zinc/69/95/96/661699596.db2.gz ARSRZYWMSUPXLV-UHFFFAOYSA-N 1 0 397.298 2.765 20 0 GFADRO C[NH+](C)CCCNC(=S)N1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000849280656 661702220 /nfs/dbraw/zinc/70/22/20/661702220.db2.gz ZDIUXGYWKXOEJH-UHFFFAOYSA-N 1 0 375.369 2.942 20 0 GFADRO C[NH+](C)C1(CN2C(=O)N[C@@H](c3ccccc3Br)C2=O)CCCC1 ZINC000849351856 661708585 /nfs/dbraw/zinc/70/85/85/661708585.db2.gz DAAVWKHHFHNOLK-AWEZNQCLSA-N 1 0 380.286 2.916 20 0 GFADRO COc1c(Br)cc(Cl)cc1S(=O)(=O)NCC[C@H](C)[NH+](C)C ZINC000849430033 661723135 /nfs/dbraw/zinc/72/31/35/661723135.db2.gz YKVNGIBQQJORSJ-VIFPVBQESA-N 1 0 399.738 2.730 20 0 GFADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@H]2C(=O)NCc2cc(Br)cs2)cn1 ZINC000849503437 661733807 /nfs/dbraw/zinc/73/38/07/661733807.db2.gz XWACYXQSSHXNNM-CABCVRRESA-N 1 0 397.342 2.596 20 0 GFADRO CC(C)[N@@H+]1CC[C@H](C(=O)NC[C@@]2(C)CC2(Cl)Cl)[C@H](c2cnn(C)c2)C1 ZINC000849598881 661734698 /nfs/dbraw/zinc/73/46/98/661734698.db2.gz HZGXXPCDKXAYFP-YQQAZPJKSA-N 1 0 387.355 2.934 20 0 GFADRO Cc1nc(Br)ccc1NC(=O)[C@H]1CC[N@@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000849574038 661734727 /nfs/dbraw/zinc/73/47/27/661734727.db2.gz VOZGBZKFMSTEKS-UONOGXRCSA-N 1 0 392.301 2.560 20 0 GFADRO CCOC(=O)NC1CCC([NH2+]CCS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000850430140 661775873 /nfs/dbraw/zinc/77/58/73/661775873.db2.gz VTQSVMHDXLWJOE-UHFFFAOYSA-N 1 0 388.917 2.761 20 0 GFADRO CCOC(=O)C(F)(F)[C@@H]1CCC[C@H]([NH2+]CC[S@@](=O)CC(F)(F)F)C1 ZINC000850490368 661778380 /nfs/dbraw/zinc/77/83/80/661778380.db2.gz AKOUWRDZBGDUHH-WVMLHGJZSA-N 1 0 379.391 2.644 20 0 GFADRO C[C@@H]([NH2+]CC[S@](=O)CC(F)(F)F)c1ccc(NC(=O)NC2CC2)cc1 ZINC000850491430 661778815 /nfs/dbraw/zinc/77/88/15/661778815.db2.gz OJXIAJRHDSGDOH-NDHGSNPTSA-N 1 0 377.432 2.932 20 0 GFADRO O=S(=O)(CC[NH2+][C@H](C[C@@H]1CCOC1)c1ccc(F)cc1)CC(F)(F)F ZINC000850518132 661780114 /nfs/dbraw/zinc/78/01/14/661780114.db2.gz LGZVWJSVPVQIDI-SWLSCSKDSA-N 1 0 383.407 2.860 20 0 GFADRO CCCN1CC[C@H]([NH2+][C@H](C)c2ccc(S(=O)(=O)C(F)F)c(OC)c2)C1 ZINC000850555740 661781626 /nfs/dbraw/zinc/78/16/26/661781626.db2.gz PUFTXFNZFKLCHP-OCCSQVGLSA-N 1 0 376.469 2.826 20 0 GFADRO Cc1cc(S(=O)(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)cnc1Cl ZINC000850590926 661782860 /nfs/dbraw/zinc/78/28/60/661782860.db2.gz ZEYJSFDRZGIEFI-HZPDHXFCSA-N 1 0 383.876 2.607 20 0 GFADRO CC(C)(C)n1ncc(C(=O)N2C[C@H]([NH3+])Cc3ccccc32)c1Br ZINC000851642416 661827811 /nfs/dbraw/zinc/82/78/11/661827811.db2.gz UXRQIKDCHMGTQV-GFCCVEGCSA-N 1 0 377.286 2.931 20 0 GFADRO C[C@H]([NH3+])C[C@H](C)NC(=O)N1CC[C@@]2(C)[C@@H](C1)C2(Br)Br ZINC000851667807 661828002 /nfs/dbraw/zinc/82/80/02/661828002.db2.gz SGZYXEGTACHJJA-GUDRVLHUSA-N 1 0 397.155 2.650 20 0 GFADRO C[C@H](CCC[NH3+])NC(=O)N1CC[C@@]2(C)[C@@H](C1)C2(Br)Br ZINC000851667554 661828003 /nfs/dbraw/zinc/82/80/03/661828003.db2.gz PAEXHTDGBXNPON-FOGDFJRCSA-N 1 0 397.155 2.651 20 0 GFADRO CC(C)c1ccc(C[NH+]2CCN(CCn3cnc(Br)n3)CC2)cc1 ZINC000851711378 661828822 /nfs/dbraw/zinc/82/88/22/661828822.db2.gz YRGVKGRHZMBQNP-UHFFFAOYSA-N 1 0 392.345 2.982 20 0 GFADRO CCOP(=O)(OCC)[C@H](O)C[N@@H+]1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000851734462 661829584 /nfs/dbraw/zinc/82/95/84/661829584.db2.gz SJGLKZCMFWEKEY-KBPBESRZSA-N 1 0 380.422 2.560 20 0 GFADRO CO[C@H]1CC[C@@H]([NH+]2CCN(C(=O)COc3ccc(Br)cc3)CC2)C1 ZINC000851768716 661831421 /nfs/dbraw/zinc/83/14/21/661831421.db2.gz OCIAWHSFBWGFBB-WBVHZDCISA-N 1 0 397.313 2.540 20 0 GFADRO C[C@@](CO)([NH2+]CCn1cnc(Br)n1)c1cccc(C(F)(F)F)c1 ZINC000851777276 661831750 /nfs/dbraw/zinc/83/17/50/661831750.db2.gz NJVDGFUOTFBSJK-ZDUSSCGKSA-N 1 0 393.207 2.557 20 0 GFADRO CC(C)([NH2+]C[C@](O)(C(N)=O)c1ccccc1)c1ccc(Br)cc1 ZINC000851826125 661835622 /nfs/dbraw/zinc/83/56/22/661835622.db2.gz YWESSSFPKYMANV-GOSISDBHSA-N 1 0 377.282 2.647 20 0 GFADRO C[C@@H]1Cc2ccc(Br)cc2C[N@@H+]1C[C@@](O)(C(N)=O)c1ccccc1 ZINC000851884090 661842824 /nfs/dbraw/zinc/84/28/24/661842824.db2.gz AGVLUMGBBNCBKJ-YJYMSZOUSA-N 1 0 389.293 2.569 20 0 GFADRO CC(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@H]2CCC[N@H+](CC3CC3)C2)c1 ZINC000851894411 661843797 /nfs/dbraw/zinc/84/37/97/661843797.db2.gz DBOOWZATDMTOBQ-OAHLLOKOSA-N 1 0 384.929 2.943 20 0 GFADRO CCOP(=O)(OCC)[C@H](O)C[NH+]1CCC([C@@](C)(O)C(F)(F)F)CC1 ZINC000851942814 661846633 /nfs/dbraw/zinc/84/66/33/661846633.db2.gz VNGVNAJPZNBFHF-QWHCGFSZSA-N 1 0 377.340 2.596 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)N1CCn2ncc(Br)c2C1)c1ccsc1 ZINC000851945762 661846648 /nfs/dbraw/zinc/84/66/48/661846648.db2.gz GDZJAMNNDNZWKY-CYBMUJFWSA-N 1 0 398.330 2.535 20 0 GFADRO O[C@@H](CN1CCC[C@@H]([NH+]2CCOCC2)CC1)c1ccccc1Br ZINC000852009356 661849151 /nfs/dbraw/zinc/84/91/51/661849151.db2.gz MDHQOTGZQZYTGL-QAPCUYQASA-N 1 0 383.330 2.669 20 0 GFADRO C[C@H]([NH2+]CCn1cnc(Br)n1)c1ccc(N2CCCCC2=O)cc1 ZINC000852064738 661851285 /nfs/dbraw/zinc/85/12/85/661851285.db2.gz QFZFIGVHGZUYBL-ZDUSSCGKSA-N 1 0 392.301 2.908 20 0 GFADRO C[C@@H]([NH2+]C[C@H](O)c1ccccn1)c1ccc(Br)cc1OCCCO ZINC000852072274 661851540 /nfs/dbraw/zinc/85/15/40/661851540.db2.gz VJOHUBHXRHUXJZ-DYVFJYSZSA-N 1 0 395.297 2.990 20 0 GFADRO C[NH+](C)CC[C@H](NC(=O)N1CCn2ncc(Br)c2C1)C(C)(C)C ZINC000852117096 661853243 /nfs/dbraw/zinc/85/32/43/661853243.db2.gz WHXXJBOHPCMKPM-AWEZNQCLSA-N 1 0 386.338 2.537 20 0 GFADRO CCN(C)C(=O)CC[N@@H+]1CC[C@@]2(C)[C@@H](C1)C2(Br)Br ZINC000852335085 661860704 /nfs/dbraw/zinc/86/07/04/661860704.db2.gz ABSQQIXYDUNHPW-PWSUYJOCSA-N 1 0 382.140 2.683 20 0 GFADRO CCn1nc(C)c(C[N@@H+]2CC[C@@]3(C)[C@@H](C2)C3(Br)Br)n1 ZINC000852337550 661861492 /nfs/dbraw/zinc/86/14/92/661861492.db2.gz UFADZLHRSIACOP-NEPJUHHUSA-N 1 0 392.139 2.934 20 0 GFADRO C[C@]12CC[N@H+](C[C@@H]3CCNC(=O)CC3)C[C@H]1C2(Br)Br ZINC000852337169 661861536 /nfs/dbraw/zinc/86/15/36/661861536.db2.gz KIJUPZHPEOWSIY-LOWVWBTDSA-N 1 0 394.151 2.731 20 0 GFADRO CO[C@@H]1CCC[C@H]([C@H](CO)[NH2+]C[C@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000852349360 661862019 /nfs/dbraw/zinc/86/20/19/661862019.db2.gz HCAULWIJZOQFTF-FAYQHZLMSA-N 1 0 392.323 2.889 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)NC[C@@H](O)c2cccc(Br)c2)C1 ZINC000852468866 661865547 /nfs/dbraw/zinc/86/55/47/661865547.db2.gz RLISRYNLTHDWSO-HUUCEWRRSA-N 1 0 384.318 2.655 20 0 GFADRO C[N@H+](C[C@@H]1COCCO1)C[C@](C)(O)c1ccc(Br)cc1Cl ZINC000852498712 661865910 /nfs/dbraw/zinc/86/59/10/661865910.db2.gz PCHPYDGPAZDVJV-DOMZBBRYSA-N 1 0 378.694 2.657 20 0 GFADRO CO[C@H](CC(C)C)C[NH+]1CCC(n2nncc2I)CC1 ZINC000852532055 661866372 /nfs/dbraw/zinc/86/63/72/661866372.db2.gz CEAHKHQJIAJLQE-CYBMUJFWSA-N 1 0 392.285 2.581 20 0 GFADRO O[C@H](C[NH2+][C@@H]1C[C@@H](O)C12CCC2)COc1ccc(Cl)cc1Br ZINC000852584783 661867495 /nfs/dbraw/zinc/86/74/95/661867495.db2.gz RCDABTZOLWUBBC-KCPJHIHWSA-N 1 0 390.705 2.735 20 0 GFADRO COC(=O)[C@H](c1cccc(Cl)c1Cl)N(C)C[C@H](O)C[NH+]1CCCC1 ZINC000852690909 661871412 /nfs/dbraw/zinc/87/14/12/661871412.db2.gz BFZGJESHYXMSAB-LRDDRELGSA-N 1 0 375.296 2.596 20 0 GFADRO CCOC(=O)CC1([NH2+]C[C@H](O)c2ccc(Br)cc2)CCOCC1 ZINC000852727574 661872292 /nfs/dbraw/zinc/87/22/92/661872292.db2.gz OBTKIKOZJXAWKA-HNNXBMFYSA-N 1 0 386.286 2.575 20 0 GFADRO C[C@H](NC(=O)C=C1CC[NH2+]CC1)c1cc2c(cc1Br)OCCO2 ZINC000852817411 661875114 /nfs/dbraw/zinc/87/51/14/661875114.db2.gz CCYFMJPLVXJDBI-NSHDSACASA-N 1 0 381.270 2.707 20 0 GFADRO CCO[C@@H]1C[C@]([NH3+])(C(=O)Nc2nc(-c3ncc(Cl)n3C)cs2)C1(C)C ZINC000852844937 661875703 /nfs/dbraw/zinc/87/57/03/661875703.db2.gz OMXDGDSHXAPLQA-HWPZZCPQSA-N 1 0 383.905 2.668 20 0 GFADRO CCCCOCCN(C(=O)C1=NO[C@H](C[NH3+])C1)c1ccc(Br)cc1 ZINC000852842722 661875722 /nfs/dbraw/zinc/87/57/22/661875722.db2.gz GRGJFDLAXIEFCV-HNNXBMFYSA-N 1 0 398.301 2.702 20 0 GFADRO C[C@]1(C(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)CC1(Br)Br ZINC000852873852 661876016 /nfs/dbraw/zinc/87/60/16/661876016.db2.gz FXIOHRGYVQNVTM-NQBHXWOUSA-N 1 0 394.151 2.873 20 0 GFADRO O=C([C@@H]1CCO[C@H]1c1cncc(Br)c1)N1CCC2(C1)CC[NH2+]CC2 ZINC000852875211 661876080 /nfs/dbraw/zinc/87/60/80/661876080.db2.gz SXCKDNXFVBSIAU-CVEARBPZSA-N 1 0 394.313 2.524 20 0 GFADRO C[C@]1(C(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)CC1(Br)Br ZINC000852882740 661876463 /nfs/dbraw/zinc/87/64/63/661876463.db2.gz PKECAYYFVHYEFH-DMDPSCGWSA-N 1 0 394.151 2.731 20 0 GFADRO C[C@]1(C(=O)N2CC3CCC2(C[NH3+])CC3)CC1(Br)Br ZINC000852892832 661876650 /nfs/dbraw/zinc/87/66/50/661876650.db2.gz BXKRJWVIXVXQGS-CKBZRRDASA-N 1 0 380.124 2.612 20 0 GFADRO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)NCC1([NH3+])CCCC1 ZINC000852906185 661877088 /nfs/dbraw/zinc/87/70/88/661877088.db2.gz SYQVKMSLPVEHOF-UHFFFAOYSA-N 1 0 379.254 2.865 20 0 GFADRO O[C@@H](C[NH2+]C[C@H](O)COc1ccc(Cl)cc1)c1cc(F)c(F)c(F)c1 ZINC000853132213 661883177 /nfs/dbraw/zinc/88/31/77/661883177.db2.gz PNOSKRQFCNIAQF-LRDDRELGSA-N 1 0 375.774 2.820 20 0 GFADRO FC(F)(F)COCCC[NH+]1CCN(Cn2ncc(Cl)c2C2CC2)CC1 ZINC000853493376 661890184 /nfs/dbraw/zinc/89/01/84/661890184.db2.gz OMVMBDXNDQYPBJ-UHFFFAOYSA-N 1 0 380.842 2.958 20 0 GFADRO O=C(N1CCC[C@H]([C@H]2CCCC[N@@H+]2CN2CCSC2=O)C1)C(F)(F)F ZINC000853546145 661891736 /nfs/dbraw/zinc/89/17/36/661891736.db2.gz MAZFMSYFDKUKAB-QWHCGFSZSA-N 1 0 379.448 2.768 20 0 GFADRO Cc1nc(-c2ccc(Br)cc2)nn1C[N@@H+]1CC[C@H]2COC[C@H]2C1 ZINC000853591133 661893714 /nfs/dbraw/zinc/89/37/14/661893714.db2.gz ZUHJXOACTTYPEJ-LSDHHAIUSA-N 1 0 377.286 2.942 20 0 GFADRO COc1cc(Br)ccc1-c1noc(-c2c[nH]nc2[C@H]2CC[NH2+]C2)n1 ZINC000854148481 661916563 /nfs/dbraw/zinc/91/65/63/661916563.db2.gz QFMMEBWKBJSKLG-VIFPVBQESA-N 1 0 390.241 2.975 20 0 GFADRO CCCN1C[C@H](c2noc(-c3sc4c(c3Br)C[NH2+]C4)n2)CC1=O ZINC000854162251 661917148 /nfs/dbraw/zinc/91/71/48/661917148.db2.gz ASKCGZOXBTXEAD-MRVPVSSYSA-N 1 0 397.298 2.890 20 0 GFADRO CCC[N@@H+]1CC[C@H](NC(=O)Nc2cc3c(cc2Br)OCCO3)C1 ZINC000854214916 661919101 /nfs/dbraw/zinc/91/91/01/661919101.db2.gz VGHINJMIBIPCTJ-NSHDSACASA-N 1 0 384.274 2.826 20 0 GFADRO O=C(NCCC[NH+]1CCCCC1)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000854278548 661922011 /nfs/dbraw/zinc/92/20/11/661922011.db2.gz YOKHGEBMCUPPDM-UHFFFAOYSA-N 1 0 378.416 2.586 20 0 GFADRO CC(C)C[NH+]1CCN(C(=O)c2ccc(C(F)(F)Br)nc2)CC1 ZINC000854297677 661922442 /nfs/dbraw/zinc/92/24/42/661922442.db2.gz QMJJJOHGTCSWAK-UHFFFAOYSA-N 1 0 376.245 2.940 20 0 GFADRO CC(C)(C)n1ncc(C(=O)N2CCN(c3cc[nH+]cc3)CC2)c1Br ZINC000854292318 661922471 /nfs/dbraw/zinc/92/24/71/661922471.db2.gz ZMJOMTCETTWCQX-UHFFFAOYSA-N 1 0 392.301 2.758 20 0 GFADRO O=C(c1cc2sccc2nc1Cl)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000854323614 661924218 /nfs/dbraw/zinc/92/42/18/661924218.db2.gz XTJPPPRFQJTNSM-UHFFFAOYSA-N 1 0 378.929 2.803 20 0 GFADRO O=C(/C=C/c1ccc(Br)o1)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000854333824 661924626 /nfs/dbraw/zinc/92/46/26/661924626.db2.gz VMPVKDXTOHMDNS-YVARQFDVSA-N 1 0 383.286 2.769 20 0 GFADRO O=C(NCc1cc(Br)no1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000854707134 661949383 /nfs/dbraw/zinc/94/93/83/661949383.db2.gz GSIDPEBVADFULE-UHFFFAOYSA-N 1 0 378.270 2.966 20 0 GFADRO CCN(C(=O)c1cc(=O)c2cc(Br)ccc2o1)[C@H]1CC[N@H+](C)C1 ZINC000855363707 661988255 /nfs/dbraw/zinc/98/82/55/661988255.db2.gz VOQMXNLSBIPBDN-LBPRGKRZSA-N 1 0 379.254 2.722 20 0 GFADRO C/C(=C\c1c(Cl)cccc1Cl)C(=O)N(CC[NH+](C)C)CC(=O)N(C)C ZINC000855695919 662004290 /nfs/dbraw/zinc/00/42/90/662004290.db2.gz WUZAPGHZSFQXJD-ACCUITESSA-N 1 0 386.323 2.875 20 0 GFADRO CS(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)c1 ZINC000855810986 662009080 /nfs/dbraw/zinc/00/90/80/662009080.db2.gz HXUNANDJXAVQKL-ZDUSSCGKSA-N 1 0 384.929 2.880 20 0 GFADRO CN(C)c1nc(Cl)c(C(=O)N2CC3(CCCC3)OC[C@@H]2C[NH+](C)C)s1 ZINC000856412504 662032412 /nfs/dbraw/zinc/03/24/12/662032412.db2.gz PALGLLHLAYHZKQ-LBPRGKRZSA-N 1 0 386.949 2.578 20 0 GFADRO CC(C)[C@H]1CN(C(=O)c2nc(Br)ccc2Br)CC[NH2+]1 ZINC000856488862 662035996 /nfs/dbraw/zinc/03/59/96/662035996.db2.gz GHMDPYIZOADISU-SNVBAGLBSA-N 1 0 391.107 2.677 20 0 GFADRO CCNC(=O)COc1ccc(C[NH2+]CC[C@@H]2CC2(Cl)Cl)cc1OC ZINC000856806827 662044855 /nfs/dbraw/zinc/04/48/55/662044855.db2.gz JIOLQPNFJLNUEV-CYBMUJFWSA-N 1 0 375.296 2.884 20 0 GFADRO O=C(NCC[C@@H]1CC1(Cl)Cl)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000856878864 662049177 /nfs/dbraw/zinc/04/91/77/662049177.db2.gz CWDYAABDIXNUPA-BPLDGKMQSA-N 1 0 378.344 2.637 20 0 GFADRO O=C(NCC(F)(F)c1ccc(Br)cc1)N[C@@H]1C[NH2+]CCC1(F)F ZINC000857106757 662063736 /nfs/dbraw/zinc/06/37/36/662063736.db2.gz ZJCVTAWLPSAIKP-LLVKDONJSA-N 1 0 398.198 2.837 20 0 GFADRO Cc1ccc(NC(=O)c2c(Br)nc3n2CCOC3)c(C[NH+](C)C)c1 ZINC000857126010 662064574 /nfs/dbraw/zinc/06/45/74/662064574.db2.gz PZOIJLINEOPBKS-UHFFFAOYSA-N 1 0 393.285 2.798 20 0 GFADRO CC[NH+](CC)CCN(C(=O)/C=C(/C)c1cccs1)[C@@H]1CCS(=O)(=O)C1 ZINC000857716172 662088558 /nfs/dbraw/zinc/08/85/58/662088558.db2.gz VFVCPVAAUAZDLZ-UGEDRFTOSA-N 1 0 384.567 2.509 20 0 GFADRO C[C@@H](C(=O)N1C[C@@H]([NH+](C)C)CCc2cc(Br)ccc21)n1cncn1 ZINC000857880932 662093386 /nfs/dbraw/zinc/09/33/86/662093386.db2.gz PNJWGPVURGOMNK-WFASDCNBSA-N 1 0 392.301 2.511 20 0 GFADRO Cc1ccc([C@@H](C[NH2+]Cc2cn(C)nc2Br)N2CCOCC2)cc1 ZINC000858100955 662098862 /nfs/dbraw/zinc/09/88/62/662098862.db2.gz UJOYAKVKBLCGHS-QGZVFWFLSA-N 1 0 393.329 2.654 20 0 GFADRO COc1cc(CCC[NH2+]Cc2cn(C)nc2Br)cc(OC)c1O ZINC000858196683 662104100 /nfs/dbraw/zinc/10/41/00/662104100.db2.gz XGFHZQIMDVURDM-UHFFFAOYSA-N 1 0 384.274 2.628 20 0 GFADRO COc1cc([C@H](C)[NH2+][C@@H]2CO[C@H](C3CC3)C2)ccc1S(=O)(=O)C(F)F ZINC000858545919 662114658 /nfs/dbraw/zinc/11/46/58/662114658.db2.gz KOPNBLMPYRPTSN-BPNCWPANSA-N 1 0 375.437 2.910 20 0 GFADRO COC(=O)Nc1ccc(S(=O)(=O)N[C@H](C[NH3+])C2CCCCC2)cc1Cl ZINC000858609711 662116408 /nfs/dbraw/zinc/11/64/08/662116408.db2.gz YCCYNTTTYCWSAC-OAHLLOKOSA-N 1 0 389.905 2.704 20 0 GFADRO COc1c(Br)cc(Cl)cc1S(=O)(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000858631404 662117378 /nfs/dbraw/zinc/11/73/78/662117378.db2.gz DJNJIAKPJGAFRQ-WCBMZHEXSA-N 1 0 397.722 2.530 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)Nc2cccc(Br)n2)CC[C@H]1C(F)(F)F ZINC000859677540 662172032 /nfs/dbraw/zinc/17/20/32/662172032.db2.gz JYEPJGPVBCDZLA-RKDXNWHRSA-N 1 0 381.196 2.835 20 0 GFADRO [NH3+]C1(CNC(=O)Nc2ccc(OCC(F)(F)F)c(Cl)c2)CCOCC1 ZINC000859684341 662172507 /nfs/dbraw/zinc/17/25/07/662172507.db2.gz BRUHZEIVQKBRAI-UHFFFAOYSA-N 1 0 381.782 2.911 20 0 GFADRO Cc1c(Br)nccc1NC(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000859692138 662172731 /nfs/dbraw/zinc/17/27/31/662172731.db2.gz WSOWNGFFUFBFRY-AWEZNQCLSA-N 1 0 397.317 2.775 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)Nc2ccnc(Br)c2)CC[C@H]1C(F)(F)F ZINC000859691875 662172779 /nfs/dbraw/zinc/17/27/79/662172779.db2.gz SGXIIKZUZCWOBO-PSASIEDQSA-N 1 0 381.196 2.835 20 0 GFADRO C[C@H]1C[C@H](c2ccc(Br)cc2)C[N@@H+]1CCCOC(=O)NC(N)=O ZINC000859960512 662180547 /nfs/dbraw/zinc/18/05/47/662180547.db2.gz HXAWSKDXQMPMNG-AAEUAGOBSA-N 1 0 384.274 2.822 20 0 GFADRO COC(=O)Cn1cc(C[N@@H+]2C[C@H](c3ccc(Br)cc3)C[C@@H]2C)nn1 ZINC000859961314 662180567 /nfs/dbraw/zinc/18/05/67/662180567.db2.gz WVVIQFXWTRFNLL-GXTWGEPZSA-N 1 0 393.285 2.592 20 0 GFADRO COCC[N@@H+]1CCC[C@H]1COC(=O)c1c2ccc(Br)cc2nn1C ZINC000861037614 662224940 /nfs/dbraw/zinc/22/49/40/662224940.db2.gz CEKUZNKLOHAVNA-ZDUSSCGKSA-N 1 0 396.285 2.603 20 0 GFADRO CO[C@@H]1C[N@H+](C)[C@](C)(COC(=O)c2csc(I)c2)C1 ZINC000861349252 662241809 /nfs/dbraw/zinc/24/18/09/662241809.db2.gz YJCPDIHYTUIFJJ-GWCFXTLKSA-N 1 0 395.262 2.619 20 0 GFADRO COc1ccc(Br)c(CC(=O)OC[C@]2(C)C[C@@H](OC)C[N@@H+]2C)c1 ZINC000861349236 662241839 /nfs/dbraw/zinc/24/18/39/662241839.db2.gz IVZAGDHFAXRUNF-PBHICJAKSA-N 1 0 386.286 2.653 20 0 GFADRO CO[C@@H]1C[N@H+](C)[C@](C)(COC(=O)[C@H]2[C@@H]3c4cccc(Br)c4C[C@H]23)C1 ZINC000861356074 662242049 /nfs/dbraw/zinc/24/20/49/662242049.db2.gz YAHNOIBQVXILSA-NRXSHMSUSA-N 1 0 394.309 2.987 20 0 GFADRO CO[C@H]1C[N@H+](C)[C@](C)(COC(=O)c2ccc(C(F)(F)Br)nc2)C1 ZINC000861356370 662242414 /nfs/dbraw/zinc/24/24/14/662242414.db2.gz KBWBPXBIUBVAJY-RISCZKNCSA-N 1 0 393.228 2.792 20 0 GFADRO O=C(Nc1cccc(Cl)c1SC(F)F)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000861511125 662248697 /nfs/dbraw/zinc/24/86/97/662248697.db2.gz UEDGBLUMNAVNEX-LLVKDONJSA-N 1 0 389.855 2.994 20 0 GFADRO C[C@H](CCc1ccc(I)cc1)NC(=O)N(C)C[C@H](C)[NH3+] ZINC000861629828 662252187 /nfs/dbraw/zinc/25/21/87/662252187.db2.gz ZGFGULDOVXHBFA-NWDGAFQWSA-N 1 0 389.281 2.601 20 0 GFADRO CC[C@H](C(=O)NC[C@@H]1CCC[N@@H+]1CCCO)c1ccc(Br)cc1 ZINC000861856540 662261167 /nfs/dbraw/zinc/26/11/67/662261167.db2.gz JESKQAMMMZLDLI-IRXDYDNUSA-N 1 0 383.330 2.906 20 0 GFADRO COc1cc(NC(=O)c2c(Cl)nn(C)c2Cl)ccc1OCC[NH+](C)C ZINC000862012417 662266316 /nfs/dbraw/zinc/26/63/16/662266316.db2.gz NGDSPWBNBFOFCG-UHFFFAOYSA-N 1 0 387.267 2.928 20 0 GFADRO O=C(NC[C@@H]1CC[N@@H+]1C1CCCCC1)c1c(Br)nc2n1CCC2 ZINC000862627526 662295192 /nfs/dbraw/zinc/29/51/92/662295192.db2.gz BNUZSRXGYORLCE-ZDUSSCGKSA-N 1 0 381.318 2.729 20 0 GFADRO C[NH+](C)C[C@@H](NC(=O)CN1CCSC1=O)c1ccc(Cl)c(Cl)c1 ZINC000863038065 662309265 /nfs/dbraw/zinc/30/92/65/662309265.db2.gz RSPSWIRGOKEQSN-CYBMUJFWSA-N 1 0 376.309 2.881 20 0 GFADRO CCC1([NH+]2CCOCC2)CCN(Cn2nc(C)c(Br)c2C)CC1 ZINC000863327500 662320905 /nfs/dbraw/zinc/32/09/05/662320905.db2.gz LMVLKCUMMRAKGM-UHFFFAOYSA-N 1 0 385.350 2.797 20 0 GFADRO O=C1O[C@H]2C[NH2+]C[C@H]2N1C1CCN(Cc2ccc(F)c(Cl)c2Cl)CC1 ZINC000863643563 662342024 /nfs/dbraw/zinc/34/20/24/662342024.db2.gz OHTFODCEMDVEQI-KGLIPLIRSA-N 1 0 388.270 2.890 20 0 GFADRO O=C(NC[C@H]1CC[N@@H+]1C1CCCCC1)c1cccnc1I ZINC000863936409 662350523 /nfs/dbraw/zinc/35/05/23/662350523.db2.gz MJRUMCBSGSBTOO-CYBMUJFWSA-N 1 0 399.276 2.823 20 0 GFADRO C[C@]1(C(=O)NC[C@H]2CCC(C)(C)C[NH2+]2)CC1(Br)Br ZINC000864090094 662354410 /nfs/dbraw/zinc/35/44/10/662354410.db2.gz ZOICVMVTSOZVRN-BXKDBHETSA-N 1 0 382.140 2.777 20 0 GFADRO CN(C(=O)c1cc(Br)ncc1Br)C1CC[NH+](C)CC1 ZINC000864397353 662369571 /nfs/dbraw/zinc/36/95/71/662369571.db2.gz VADNHYHETFDQAD-UHFFFAOYSA-N 1 0 391.107 2.773 20 0 GFADRO C[NH+](C)C[C@H]1CCCN1C(=O)c1cc(Br)ncc1Br ZINC000865127078 662400214 /nfs/dbraw/zinc/40/02/14/662400214.db2.gz ZOSIDRFDPGYNEY-SECBINFHSA-N 1 0 391.107 2.773 20 0 GFADRO CC[NH+](CC)CCN(CCOC)C(=O)c1cnn(C(C)C)c1Br ZINC000865180814 662402780 /nfs/dbraw/zinc/40/27/80/662402780.db2.gz UBBOLDHFAQDMDG-UHFFFAOYSA-N 1 0 389.338 2.657 20 0 GFADRO CN1C(=O)N(C[C@@H]2CC[N@@H+](C3CC3)C2)C(=O)[C@H]1c1ccc(Br)s1 ZINC000865298122 662410667 /nfs/dbraw/zinc/41/06/67/662410667.db2.gz BUKRBUAJJCJXQP-QMTHXVAHSA-N 1 0 398.326 2.930 20 0 GFADRO C[NH+]1CCC(NC(=O)CSc2ncnc3sc4c(c32)CCCC4)CC1 ZINC000865344551 662414920 /nfs/dbraw/zinc/41/49/20/662414920.db2.gz NGSDZVLKMLFHOH-UHFFFAOYSA-N 1 0 376.551 2.873 20 0 GFADRO Brc1cccc(CCC[NH2+]Cc2cn(C[C@@H]3CCCO3)nn2)c1 ZINC000865455500 662422574 /nfs/dbraw/zinc/42/25/74/662422574.db2.gz ASSWIQLSHLYWDU-KRWDZBQOSA-N 1 0 379.302 2.942 20 0 GFADRO COc1ncc(Br)cc1C[NH2+]CCCNC(=O)c1cccs1 ZINC000865463000 662422803 /nfs/dbraw/zinc/42/28/03/662422803.db2.gz SYNNFHDRPWDCOB-UHFFFAOYSA-N 1 0 384.299 2.824 20 0 GFADRO COc1ncc(Br)cc1CNC1CC[NH+](CCOC(C)C)CC1 ZINC000865481574 662424081 /nfs/dbraw/zinc/42/40/81/662424081.db2.gz QYYFXPAGHSNAHK-UHFFFAOYSA-N 1 0 386.334 2.832 20 0 GFADRO CCc1cc(N2CCC([NH2+]Cc3cccnc3Br)CC2)ncn1 ZINC000865483529 662424670 /nfs/dbraw/zinc/42/46/70/662424670.db2.gz SYTORNCICSCQPE-UHFFFAOYSA-N 1 0 376.302 2.955 20 0 GFADRO COc1ncc(Br)cc1C[NH2+]CC1(S(C)(=O)=O)CCCCC1 ZINC000865626612 662432566 /nfs/dbraw/zinc/43/25/66/662432566.db2.gz AGLKQUGBDSIOSM-UHFFFAOYSA-N 1 0 391.331 2.690 20 0 GFADRO Cn1cc(C[NH2+]CC[S@@](=O)CC(F)(F)F)c(-c2cc(F)ccc2F)n1 ZINC000865622184 662432570 /nfs/dbraw/zinc/43/25/70/662432570.db2.gz OMPUSWCHSMBRTQ-RUZDIDTESA-N 1 0 381.370 2.766 20 0 GFADRO O[C@H]1CC[N@H+](Cc2ccc(CNCc3cccnc3Br)cc2)C1 ZINC000865624230 662432630 /nfs/dbraw/zinc/43/26/30/662432630.db2.gz WSMYCBVBIZZPNH-KRWDZBQOSA-N 1 0 376.298 2.701 20 0 GFADRO CNC(=O)c1ccc(C[NH2+][C@@](C)(CO)Cc2ccc(Br)cc2)cc1 ZINC000865716428 662438616 /nfs/dbraw/zinc/43/86/16/662438616.db2.gz SPHIWBZAJDRMOD-LJQANCHMSA-N 1 0 391.309 2.892 20 0 GFADRO O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)C(=O)c1cc(Cl)cc(Cl)c1 ZINC000865789058 662443886 /nfs/dbraw/zinc/44/38/86/662443886.db2.gz OHOKZICMTUBYCD-INIZCTEOSA-N 1 0 385.291 2.936 20 0 GFADRO COC1CC[NH+](C2(CNC(=O)c3cc(Br)no3)CCCC2)CC1 ZINC000865930985 662452105 /nfs/dbraw/zinc/45/21/05/662452105.db2.gz ACYYBHGIXQWQMR-UHFFFAOYSA-N 1 0 386.290 2.591 20 0 GFADRO CC(=O)N[C@H](C(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1)c1cccc(Br)c1 ZINC000866050305 662458744 /nfs/dbraw/zinc/45/87/44/662458744.db2.gz YQSHWOSCNRJCPN-JLZZUVOBSA-N 1 0 396.329 2.567 20 0 GFADRO C[C@H](CCc1cccnc1)[NH2+]CC1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000866265663 662466098 /nfs/dbraw/zinc/46/60/98/662466098.db2.gz PMXWPTGMTSZTSJ-CYBMUJFWSA-N 1 0 379.448 2.554 20 0 GFADRO CCO[C@@H](CC[NH+](C)C)CNC(=O)c1cc(F)c(Br)cc1F ZINC000866454001 662474288 /nfs/dbraw/zinc/47/42/88/662474288.db2.gz AVXSMOFRNIBHHO-JTQLQIEISA-N 1 0 379.245 2.814 20 0 GFADRO COc1ccc(C[C@H](C)[NH2+]Cc2c(I)cnn2C)cc1 ZINC000866629425 662485002 /nfs/dbraw/zinc/48/50/02/662485002.db2.gz FVMJWKRXWFKLTK-NSHDSACASA-N 1 0 385.249 2.754 20 0 GFADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3cc(Br)cn4ccnc34)CC[C@@H]21 ZINC000866710932 662491195 /nfs/dbraw/zinc/49/11/95/662491195.db2.gz XZERYCDWNVAEGS-DOMZBBRYSA-N 1 0 377.286 2.653 20 0 GFADRO C[NH2+]C[C@@H]1CCCN(S(=O)(=O)Cc2cc(C)ccc2Br)C1 ZINC000866735499 662492890 /nfs/dbraw/zinc/49/28/90/662492890.db2.gz STVNIKIDMZTLLL-ZDUSSCGKSA-N 1 0 375.332 2.519 20 0 GFADRO Cc1ccc(Br)c(CS(=O)(=O)N2CCC[C@H](CC[NH3+])C2)c1 ZINC000866762367 662495607 /nfs/dbraw/zinc/49/56/07/662495607.db2.gz PZQVHAXTSJKHHS-CYBMUJFWSA-N 1 0 375.332 2.648 20 0 GFADRO O=S(=O)(c1ccc(C(F)(F)C(F)(F)F)cc1)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000866822449 662502117 /nfs/dbraw/zinc/50/21/17/662502117.db2.gz FWRZJIDIMNVYJO-QWHCGFSZSA-N 1 0 384.370 2.856 20 0 GFADRO CN(CC[C@@H]1CCCC[N@@H+]1C)S(=O)(=O)c1cc2nc(Cl)ncc2s1 ZINC000866881524 662505934 /nfs/dbraw/zinc/50/59/34/662505934.db2.gz AMKNGUCBRYAXAZ-NSHDSACASA-N 1 0 388.946 2.840 20 0 GFADRO C[N@@H+]1CCC[C@@H]2CN(S(=O)(=O)c3ccc4ccnc(Cl)c4c3)CC[C@@H]21 ZINC000866972450 662513385 /nfs/dbraw/zinc/51/33/85/662513385.db2.gz RQMMHKIEXJWLQY-PBHICJAKSA-N 1 0 379.913 2.993 20 0 GFADRO C[NH+]1CCC([C@H]2CCN(S(=O)(=O)c3cc(Cl)cnc3Cl)C2)CC1 ZINC000867013450 662516573 /nfs/dbraw/zinc/51/65/73/662516573.db2.gz VRBVXKQBMFKYGL-LBPRGKRZSA-N 1 0 378.325 2.741 20 0 GFADRO O=S(=O)(/C=C\c1cccc(Cl)c1)N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000867400121 662547529 /nfs/dbraw/zinc/54/75/29/662547529.db2.gz TVDFJFBYZNCDEQ-AUWJEWJLSA-N 1 0 384.929 2.827 20 0 GFADRO CC1([NH+]2CCCC2)CCN(S(=O)(=O)c2c(Cl)nc3sccn32)CC1 ZINC000867600627 662561899 /nfs/dbraw/zinc/56/18/99/662561899.db2.gz OOTYOCCEDCSXGT-UHFFFAOYSA-N 1 0 388.946 2.688 20 0 GFADRO CCC1([NH+](C)C)CCN(S(=O)(=O)c2c(Cl)nc3sccn32)CC1 ZINC000867630916 662564255 /nfs/dbraw/zinc/56/42/55/662564255.db2.gz LWUGZCRHTBZXPF-UHFFFAOYSA-N 1 0 376.935 2.544 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(S(=O)(=O)c3cc(Cl)ccc3OC(F)F)CC[C@H]21 ZINC000867806294 662577702 /nfs/dbraw/zinc/57/77/02/662577702.db2.gz FSCKLYQKIYIJKW-ZYHUDNBSSA-N 1 0 380.844 2.656 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(S(=O)(=O)c3cc(Cl)ccc3Br)CC[C@@H]21 ZINC000867810135 662578407 /nfs/dbraw/zinc/57/84/07/662578407.db2.gz XNCIFMMOYUFVBL-MFKMUULPSA-N 1 0 393.734 2.817 20 0 GFADRO [NH3+][C@@H](C(=O)NCc1ccc2c(c1)OCCCO2)c1cccc(Br)c1 ZINC000867946137 662588658 /nfs/dbraw/zinc/58/86/58/662588658.db2.gz CEVWRMXYPHSOEU-QGZVFWFLSA-N 1 0 391.265 2.927 20 0 GFADRO [NH3+][C@H](C(=O)NC[C@@H]1COc2ccccc2C1)c1cccc(Br)c1 ZINC000867945196 662588704 /nfs/dbraw/zinc/58/87/04/662588704.db2.gz AHJMSQXOHLQNIL-PXAZEXFGSA-N 1 0 375.266 2.816 20 0 GFADRO CCO[C@H](C)c1noc(CN(C)C(=O)[C@H]([NH3+])c2cccc(Br)c2)n1 ZINC000867954003 662589194 /nfs/dbraw/zinc/58/91/94/662589194.db2.gz HWBRJNWLGMFWKQ-QMTHXVAHSA-N 1 0 397.273 2.588 20 0 GFADRO [NH3+][C@H]1C[C@@H](CNC(=O)Nc2ccc(I)cc2Cl)C1 ZINC000868100869 662594662 /nfs/dbraw/zinc/59/46/62/662594662.db2.gz FPCXJDHLJDYQRP-OTSSQURYSA-N 1 0 379.629 2.803 20 0 GFADRO COCCC1(NC(=O)c2cc(F)c(F)cc2Br)CC[NH2+]CC1 ZINC000868044615 662592399 /nfs/dbraw/zinc/59/23/99/662592399.db2.gz LIJBMFBVCPYHQV-UHFFFAOYSA-N 1 0 377.229 2.616 20 0 GFADRO Cc1cc(I)ccc1NC(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000868091035 662594455 /nfs/dbraw/zinc/59/44/55/662594455.db2.gz UPOQMJMNAGXNGC-ZIAGYGMSSA-N 1 0 385.249 2.958 20 0 GFADRO COc1cc(Br)c(NC(=O)N2CCC[C@@H]3[NH2+]CC[C@@H]32)cc1OC ZINC000868113291 662594885 /nfs/dbraw/zinc/59/48/85/662594885.db2.gz ZNOHUVZCMNZRHG-AAEUAGOBSA-N 1 0 384.274 2.825 20 0 GFADRO COc1cc(NC(=O)N2C3CCC2(C[NH3+])CC3)cc(OC)c1Br ZINC000868142202 662596034 /nfs/dbraw/zinc/59/60/34/662596034.db2.gz FUMIPLLDUHJLAJ-UHFFFAOYSA-N 1 0 384.274 2.954 20 0 GFADRO COc1cc(OC)c(NC(=O)N2CCC[C@H]3[NH2+]CC[C@H]32)cc1Br ZINC000868151813 662596590 /nfs/dbraw/zinc/59/65/90/662596590.db2.gz YTZMLCMNVFDUQI-DGCLKSJQSA-N 1 0 384.274 2.825 20 0 GFADRO O=C(NCc1ccc(Br)cn1)Nc1ccc2c(c1)C[NH2+]CCO2 ZINC000868169136 662597375 /nfs/dbraw/zinc/59/73/75/662597375.db2.gz VUNRCQGBOYFVGJ-UHFFFAOYSA-N 1 0 377.242 2.648 20 0 GFADRO C[NH+](C)CCn1cc(C(=O)Nc2c(O)cc(Br)cc2Cl)cn1 ZINC000868291792 662600864 /nfs/dbraw/zinc/60/08/64/662600864.db2.gz URVYDWCYAYALCU-UHFFFAOYSA-N 1 0 387.665 2.819 20 0 GFADRO [NH3+]Cc1cc(NC(=O)C(=O)NCC[C@@H]2CCCS2)cc(C(F)(F)F)c1 ZINC000868296110 662601115 /nfs/dbraw/zinc/60/11/15/662601115.db2.gz KALLNFMGCLACIU-ZDUSSCGKSA-N 1 0 375.416 2.505 20 0 GFADRO Cc1cc(NC(=O)C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)cc(C)c1Br ZINC000868308271 662601524 /nfs/dbraw/zinc/60/15/24/662601524.db2.gz VXNLSFKIXCINHI-BTTYYORXSA-N 1 0 394.313 2.651 20 0 GFADRO C[C@H](CNC(=O)NCc1cc(Cl)cc(Cl)c1F)C[NH+]1CCN(C)CC1 ZINC000868358299 662602957 /nfs/dbraw/zinc/60/29/57/662602957.db2.gz OOSONLLWUFAYTI-GFCCVEGCSA-N 1 0 391.318 2.815 20 0 GFADRO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)NCc1ncc(Br)s1 ZINC000868777854 662618596 /nfs/dbraw/zinc/61/85/96/662618596.db2.gz BCNFMOWXDBHTIZ-LLVKDONJSA-N 1 0 375.336 2.825 20 0 GFADRO O=C(NCc1ccc(Br)cn1)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000869122382 662630687 /nfs/dbraw/zinc/63/06/87/662630687.db2.gz UQVUGVMYDWFULI-CQSZACIVSA-N 1 0 381.318 2.765 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(C(=O)N[C@@H]3[C@@H]4Cc5ccc(Br)cc5[C@@H]43)CC[C@H]21 ZINC000869174695 662633570 /nfs/dbraw/zinc/63/35/70/662633570.db2.gz ZKCGFEANSWGJIH-IDXRPEPOSA-N 1 0 390.325 2.823 20 0 GFADRO C[NH+]1CCC([C@@H]2CCN(C(=O)NCc3ncc(Br)s3)C2)CC1 ZINC000869194002 662634247 /nfs/dbraw/zinc/63/42/47/662634247.db2.gz CYQUAPIGSFHRGB-GFCCVEGCSA-N 1 0 387.347 2.779 20 0 GFADRO CC(=O)N[C@@H](C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1)c1cccc(Br)c1 ZINC000869233732 662636702 /nfs/dbraw/zinc/63/67/02/662636702.db2.gz OYUBGKGJNODLNZ-HZPDHXFCSA-N 1 0 396.329 2.615 20 0 GFADRO COCCN(CC1CC[NH+](C)CC1)C(=O)c1ccsc1Br ZINC000869761341 662660397 /nfs/dbraw/zinc/66/03/97/662660397.db2.gz LFYOLKPKTCAYIN-UHFFFAOYSA-N 1 0 375.332 2.941 20 0 GFADRO [NH3+][C@H]1CC[C@@H](C(=O)N2CCN(C(=O)c3cccc(Cl)c3Cl)CC2)CC1 ZINC000870867320 662703989 /nfs/dbraw/zinc/70/39/89/662703989.db2.gz DFAJNZJUASZNFY-BETUJISGSA-N 1 0 384.307 2.795 20 0 GFADRO [NH3+][C@H]1C[C@@H](CNC(=O)c2cccc(NC(=O)c3ccc(Br)o3)c2)C1 ZINC000870968120 662711665 /nfs/dbraw/zinc/71/16/65/662711665.db2.gz MLKAWLGLDWWMSL-KLPPZKSPSA-N 1 0 392.253 2.762 20 0 GFADRO Cc1nn(Cc2cccc(Br)c2)c(C)c1C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000870966195 662711733 /nfs/dbraw/zinc/71/17/33/662711733.db2.gz CCFHFQFOAMDHQU-FZNQNYSPSA-N 1 0 391.313 2.778 20 0 GFADRO [NH3+][C@H]1C[C@H](CNC(=O)CCCCc2ccc(I)cc2)C1 ZINC000870970983 662711807 /nfs/dbraw/zinc/71/18/07/662711807.db2.gz RGOCSYJLAATLGY-CTYIDZIISA-N 1 0 386.277 2.858 20 0 GFADRO O[C@H](Cn1cc(CC[NH+]2CCCCC2)nn1)c1ccc(Br)cc1 ZINC000871619413 662728600 /nfs/dbraw/zinc/72/86/00/662728600.db2.gz OHRHGMKNUSQSBM-QGZVFWFLSA-N 1 0 379.302 2.803 20 0 GFADRO O=S(=O)(NC[C@H]1CC2(CO1)CC[NH2+]CC2)c1c(Cl)cc(F)cc1Cl ZINC000871811859 662734948 /nfs/dbraw/zinc/73/49/48/662734948.db2.gz WELJSKTXJMZPIR-LLVKDONJSA-N 1 0 397.299 2.570 20 0 GFADRO [NH3+]C[C@H]1CN(S(=O)(=O)c2ccc3nc(Cl)sc3c2)C[C@@H]1C(F)(F)F ZINC000871814752 662735481 /nfs/dbraw/zinc/73/54/81/662735481.db2.gz XROUPNYYTGZLKU-CBAPKCEASA-N 1 0 399.847 2.707 20 0 GFADRO [NH3+]C[C@@H]1CN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)C[C@@H]1C(F)(F)F ZINC000871814488 662735508 /nfs/dbraw/zinc/73/55/08/662735508.db2.gz VFJQCGORJVYKCP-ZJUUUORDSA-N 1 0 391.242 2.892 20 0 GFADRO O=C1N[C@H](Cc2cncs2)C(=O)N1C[C@H](c1cccs1)[NH+]1CCCC1 ZINC000871897278 662740415 /nfs/dbraw/zinc/74/04/15/662740415.db2.gz RMNYPPNZQUXKGH-ZIAGYGMSSA-N 1 0 376.507 2.505 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CN1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000872148127 662756677 /nfs/dbraw/zinc/75/66/77/662756677.db2.gz NQJKUAHVEYOTCH-CMPLNLGQSA-N 1 0 394.235 2.765 20 0 GFADRO COc1ccc(Cl)cc1NC(=O)[C@H](C)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000872150031 662756864 /nfs/dbraw/zinc/75/68/64/662756864.db2.gz XGAXGPAKMMRVOB-JBLDHEPKSA-N 1 0 379.810 2.745 20 0 GFADRO C[C@]1(c2nc(-c3ccc(Br)cc3OC(F)F)no2)C[NH2+]CCO1 ZINC000872178085 662757422 /nfs/dbraw/zinc/75/74/22/662757422.db2.gz RDHAGDLAVNWXTD-CQSZACIVSA-N 1 0 390.184 2.936 20 0 GFADRO CC(=O)c1cccc(OC[C@H](O)C[NH2+]Cc2ccc(Br)cn2)c1 ZINC000872234345 662758538 /nfs/dbraw/zinc/75/85/38/662758538.db2.gz OYDUFHOUEITJHF-MRXNPFEDSA-N 1 0 379.254 2.576 20 0 GFADRO CC(C)(C)[S@@](C)(=O)=NS(=O)(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000872465912 662769933 /nfs/dbraw/zinc/76/99/33/662769933.db2.gz FOQQVKLJGHPFQU-XMMPIXPASA-N 1 0 393.619 2.716 20 0 GFADRO CONC(=O)C1CCN(c2cc[nH+]c3cc(OC)c(Br)cc32)CC1 ZINC000872647942 662782763 /nfs/dbraw/zinc/78/27/63/662782763.db2.gz FMZBDHJFPXPEAQ-UHFFFAOYSA-N 1 0 394.269 2.900 20 0 GFADRO Cn1c2ccccc2c(Br)c1CNCCC[NH+]1CCC(O)CC1 ZINC000873021664 662796622 /nfs/dbraw/zinc/79/66/22/662796622.db2.gz NXMWLYCKQONHLX-UHFFFAOYSA-N 1 0 380.330 2.877 20 0 GFADRO COC[C@H]([NH2+]Cc1cccc(F)c1I)C1CCOCC1 ZINC000873133896 662801138 /nfs/dbraw/zinc/80/11/38/662801138.db2.gz IOASPYGINBSWJZ-AWEZNQCLSA-N 1 0 393.240 2.962 20 0 GFADRO CC(C)(C[NH2+]Cc1cccc(F)c1I)[C@@]1(O)CCOC1 ZINC000873134359 662801160 /nfs/dbraw/zinc/80/11/60/662801160.db2.gz PUZUZSOMGPIHQV-OAHLLOKOSA-N 1 0 393.240 2.698 20 0 GFADRO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]CC1(OC(C)C)CCC1 ZINC000873166523 662802416 /nfs/dbraw/zinc/80/24/16/662802416.db2.gz FDXVDYZQIKIXGS-AWEZNQCLSA-N 1 0 389.949 2.642 20 0 GFADRO Cn1cc(Br)cc1C(=O)Nc1ccccc1N1CC[NH+](C)CC1 ZINC000873283837 662804915 /nfs/dbraw/zinc/80/49/15/662804915.db2.gz KPJMRNRMYLXVFV-UHFFFAOYSA-N 1 0 377.286 2.792 20 0 GFADRO COC(=O)c1cc(NC(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)c(C)cc1Br ZINC000873323077 662805480 /nfs/dbraw/zinc/80/54/80/662805480.db2.gz DCHSLKVIXQLIKU-APPDUMDISA-N 1 0 396.285 2.617 20 0 GFADRO CN(CC1CC[NH+](C)CC1)C(=O)C(=O)Nc1cc(Cl)cc(Cl)c1F ZINC000873705168 662812208 /nfs/dbraw/zinc/81/22/08/662812208.db2.gz BBHVNZVWIQMHDI-UHFFFAOYSA-N 1 0 376.259 2.871 20 0 GFADRO O=C(C[NH+]1CCCC1)NCC1(c2cccc(Br)c2)CCOCC1 ZINC000874103216 662822841 /nfs/dbraw/zinc/82/28/41/662822841.db2.gz BELPVAHDRGQWEL-UHFFFAOYSA-N 1 0 381.314 2.709 20 0 GFADRO COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2C ZINC000874370100 662830236 /nfs/dbraw/zinc/83/02/36/662830236.db2.gz WIZJEWXBAZQBRV-KBPBESRZSA-N 1 0 386.279 2.636 20 0 GFADRO CC(C)[C@H](CNC(=O)c1cc(F)c(Cl)c(N)c1Cl)[NH+]1CCN(C)CC1 ZINC000874466716 662831770 /nfs/dbraw/zinc/83/17/70/662831770.db2.gz SGQOQTZQYOCMGI-ZDUSSCGKSA-N 1 0 391.318 2.717 20 0 GFADRO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)c1cc(I)ccc1F ZINC000874837899 662837899 /nfs/dbraw/zinc/83/78/99/662837899.db2.gz MCUBIVYQCBJBKR-KBPBESRZSA-N 1 0 388.224 2.739 20 0 GFADRO C[C@H](CNC(=O)N1CC[C@@H](O)[C@H]1c1ccc(Br)cc1)[N@H+](C)C1CC1 ZINC000875240891 662843811 /nfs/dbraw/zinc/84/38/11/662843811.db2.gz ULOFMUPOMURHSP-CSMYWGQOSA-N 1 0 396.329 2.749 20 0 GFADRO Cc1cc(NC(=O)[C@@H]2CC[N@@H+](C)C[C@H]2c2cnn(C)c2)ncc1Br ZINC000875416643 662845724 /nfs/dbraw/zinc/84/57/24/662845724.db2.gz AXRGBEGYFLVHPF-KGLIPLIRSA-N 1 0 392.301 2.560 20 0 GFADRO CC[C@H](C[C@H](C)O)NC(=O)NCCc1cn2cc(Br)cc(C)c2n1 ZINC000875488353 662846791 /nfs/dbraw/zinc/84/67/91/662846791.db2.gz WBILGFVRBJTYKE-GXTWGEPZSA-N 1 0 397.317 2.796 20 0 GFADRO Cc1cnc(NC(=O)[C@H]2CC[N@@H+](C)C[C@H]2c2cnn(C)c2)c(Br)c1 ZINC000875493339 662846853 /nfs/dbraw/zinc/84/68/53/662846853.db2.gz DQCHKMJEHVOAFG-KBPBESRZSA-N 1 0 392.301 2.560 20 0 GFADRO C[C@@]1(Br)C[C@H]1C(=O)Nc1ccc(C(=O)OC2CC[NH2+]CC2)cc1 ZINC000876518680 662862399 /nfs/dbraw/zinc/86/23/99/662862399.db2.gz JHLVLZMLVJGFQG-WMLDXEAASA-N 1 0 381.270 2.707 20 0 GFADRO CC1(C)[C@H]([NH3+])C[C@@H]1C(=O)NC1(c2cccc(Br)c2)CCOCC1 ZINC000876615829 662863565 /nfs/dbraw/zinc/86/35/65/662863565.db2.gz MGBAQLLCZJDJEP-HUUCEWRRSA-N 1 0 381.314 2.944 20 0 GFADRO O=C(Nc1ncn(Cc2cccc(Br)c2)n1)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000876631431 662863772 /nfs/dbraw/zinc/86/37/72/662863772.db2.gz JFZQKJZMTZRFLE-PBHICJAKSA-N 1 0 390.285 2.560 20 0 GFADRO COc1cc(CNC(=O)/C=C/[C@@H]2CCC[NH2+]C2)cc(Br)c1OC ZINC000876637554 662864022 /nfs/dbraw/zinc/86/40/22/662864022.db2.gz ODIXIYAVZGFDHM-FYJFLYSWSA-N 1 0 383.286 2.638 20 0 GFADRO O=C(NCC1(c2ccc(Br)cc2)CCOCC1)[C@H](F)[C@H]1CC[NH2+]C1 ZINC000876641659 662864028 /nfs/dbraw/zinc/86/40/28/662864028.db2.gz LZCQKKDLDYMOKV-XJKSGUPXSA-N 1 0 399.304 2.561 20 0 GFADRO C[C@H](CNC(=O)[C@H](F)[C@H]1CC[NH2+]C1)Sc1ccc(Br)cc1 ZINC000876656982 662864515 /nfs/dbraw/zinc/86/45/15/662864515.db2.gz AVLLJNNIAUQZPH-UHIISALHSA-N 1 0 375.307 2.994 20 0 GFADRO Cc1cc(Br)ncc1NC(=O)[C@H](N)C[N@@H+](C)Cc1ccccc1 ZINC000876667164 662864519 /nfs/dbraw/zinc/86/45/19/662864519.db2.gz VARDJUKBBGLGHN-CQSZACIVSA-N 1 0 377.286 2.550 20 0 GFADRO [NH3+]C[C@@H]1[C@H](C(=O)NC[C@@H](c2c(F)cccc2Cl)N2CCCC2)C1(F)F ZINC000876720654 662865429 /nfs/dbraw/zinc/86/54/29/662865429.db2.gz ANDRMIWTXLZHMO-RIEGTJTDSA-N 1 0 375.822 2.572 20 0 GFADRO O=C(/C=C\[C@@H]1CCC[NH2+]C1)NC[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000876737835 662865763 /nfs/dbraw/zinc/86/57/63/662865763.db2.gz WGKIVLJPFGUVIV-SHUKXNKTSA-N 1 0 392.341 2.947 20 0 GFADRO COC(=O)c1ccc(C[NH+]2CCC(CCC(N)=O)CC2)cc1Br ZINC000876757941 662865949 /nfs/dbraw/zinc/86/59/49/662865949.db2.gz CRQVKJHOCCCXPC-UHFFFAOYSA-N 1 0 383.286 2.713 20 0 GFADRO CC[NH+](CC)CCOc1ccc(NCc2ccc(S(N)(=O)=O)s2)cc1 ZINC000876833951 662867068 /nfs/dbraw/zinc/86/70/68/662867068.db2.gz LDEKKBBTBYUUIV-UHFFFAOYSA-N 1 0 383.539 2.728 20 0 GFADRO COCC1(CNC(=O)c2ccc(Br)c(SC)c2)CC[NH2+]CC1 ZINC000876842377 662867178 /nfs/dbraw/zinc/86/71/78/662867178.db2.gz AJFOJYIMKMPDCD-UHFFFAOYSA-N 1 0 387.343 2.917 20 0 GFADRO CC(C)n1ncc(C(=O)N(CC[NH3+])CCc2ccccc2)c1Br ZINC000876842460 662867242 /nfs/dbraw/zinc/86/72/42/662867242.db2.gz DLJVWNADLZNZMN-UHFFFAOYSA-N 1 0 379.302 2.870 20 0 GFADRO CC(C)n1ncc(C(=O)Nc2ccc3c(c2)C[NH2+]CCO3)c1Br ZINC000876855525 662867303 /nfs/dbraw/zinc/86/73/03/662867303.db2.gz UTGJACYMJDGPKX-UHFFFAOYSA-N 1 0 379.258 2.961 20 0 GFADRO Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)NCc1ccsc1Br ZINC000876882224 662867604 /nfs/dbraw/zinc/86/76/04/662867604.db2.gz CUXRZALROGBZSQ-GFCCVEGCSA-N 1 0 383.315 2.870 20 0 GFADRO Cc1cnn([C@H]2CCC[NH2+]C2)c1C(=O)NCc1ccsc1Br ZINC000876882225 662867625 /nfs/dbraw/zinc/86/76/25/662867625.db2.gz CUXRZALROGBZSQ-LBPRGKRZSA-N 1 0 383.315 2.870 20 0 GFADRO O=C(/C=C\[C@H]1CCC[NH2+]C1)NCc1nc(-c2cccc(Br)c2)no1 ZINC000876910265 662867887 /nfs/dbraw/zinc/86/78/87/662867887.db2.gz BEDILBLOVQJCHN-ZHRWSRJISA-N 1 0 391.269 2.671 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)C2(c3cc(Cl)cc(Br)c3)CC2)CCCO1 ZINC000876917715 662867997 /nfs/dbraw/zinc/86/79/97/662867997.db2.gz CCMLWCXYYQMFQN-CQSZACIVSA-N 1 0 387.705 2.710 20 0 GFADRO O=C(/C=C\[C@@H]1CCC[NH2+]C1)NCc1noc(-c2cccc(Br)c2)n1 ZINC000876910874 662868007 /nfs/dbraw/zinc/86/80/07/662868007.db2.gz OTMGILRZZMYAMK-DGMVEKRQSA-N 1 0 391.269 2.671 20 0 GFADRO C[C@H]([NH3+])C[C@H](C)NC(=O)c1c(F)ccc(I)c1Cl ZINC000876934278 662868390 /nfs/dbraw/zinc/86/83/90/662868390.db2.gz GGENLDDJJHMLGE-BQBZGAKWSA-N 1 0 384.620 2.939 20 0 GFADRO C[C@@H]1[C@@H](c2ccc(Br)cc2)OCCN1C(=O)[C@H](F)[C@@H]1CC[NH2+]C1 ZINC000876963836 662868698 /nfs/dbraw/zinc/86/86/98/662868698.db2.gz ZQLBXWDANYAXSP-CUBALJKWSA-N 1 0 385.277 2.685 20 0 GFADRO O=S1(=O)CCC(C[NH2+]C2CCN(c3nc4ccccc4s3)CC2)CC1 ZINC000876975010 662869006 /nfs/dbraw/zinc/86/90/06/662869006.db2.gz ZUQNUWDPNHQNPP-UHFFFAOYSA-N 1 0 379.551 2.680 20 0 GFADRO CCO[P@](C)(=O)CC[C@@H](C)[NH2+]CCNS(=O)(=O)c1cccc(Cl)c1 ZINC000876981260 662869141 /nfs/dbraw/zinc/86/91/41/662869141.db2.gz SKSWFYMSJVOGKX-ZLOXQWCVSA-N 1 0 396.877 2.931 20 0 GFADRO Nc1c(Cl)cccc1C[NH2+]Cc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000876992735 662869289 /nfs/dbraw/zinc/86/92/89/662869289.db2.gz JGQVFYUMNPOGBW-UHFFFAOYSA-N 1 0 379.913 2.997 20 0 GFADRO C[C@@H]([NH2+]Cc1cccc(S(N)(=O)=O)c1)[C@@H](O)c1c(Cl)cccc1Cl ZINC000877067801 662870674 /nfs/dbraw/zinc/87/06/74/662870674.db2.gz IXFSIOMHVKSMGT-QLJPJBMISA-N 1 0 389.304 2.853 20 0 GFADRO Cn1cc([C@@H](O)C[NH2+][C@H]2CCN(C)[C@@H](c3ccc(Br)cc3)C2)cn1 ZINC000877071671 662870712 /nfs/dbraw/zinc/87/07/12/662870712.db2.gz BEXXORUYEQHHIP-KSZLIROESA-N 1 0 393.329 2.641 20 0 GFADRO C[C@H]([NH2+]Cc1cnn2cc(Br)cnc12)[C@H](O)c1cccc(F)c1 ZINC000877083305 662870890 /nfs/dbraw/zinc/87/08/90/662870890.db2.gz LHBAKHJFKCCMSJ-BONVTDFDSA-N 1 0 379.233 2.843 20 0 GFADRO C[C@@H]([NH3+])CN(C)C(=O)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000877096248 662870961 /nfs/dbraw/zinc/87/09/61/662870961.db2.gz APWMQKCRJVWPRD-SNVBAGLBSA-N 1 0 378.826 2.776 20 0 GFADRO C[C@H](Cc1cc(Br)ccc1F)[NH2+]CC1CCS(=O)(=O)CC1 ZINC000877117890 662871295 /nfs/dbraw/zinc/87/12/95/662871295.db2.gz BVVGTSDZPIKMQV-LLVKDONJSA-N 1 0 378.307 2.934 20 0 GFADRO CO[C@H](c1ccc(Br)cc1)[C@H](C)[NH2+]CC1CCS(=O)(=O)CC1 ZINC000877134011 662871503 /nfs/dbraw/zinc/87/15/03/662871503.db2.gz UWNIDMCKKYMLLL-LRDDRELGSA-N 1 0 390.343 2.940 20 0 GFADRO O=C([C@H](F)[C@H]1CC[NH2+]C1)N1CC2(CCOCC2)c2ccc(Br)cc21 ZINC000877139733 662871642 /nfs/dbraw/zinc/87/16/42/662871642.db2.gz YEEGLOZTESACFX-BLLLJJGKSA-N 1 0 397.288 2.792 20 0 GFADRO CCNC(=O)c1cc(NC(=O)c2csc(C3CC[NH2+]CC3)n2)c(C)s1 ZINC000877204366 662872152 /nfs/dbraw/zinc/87/21/52/662872152.db2.gz AZXQDQJHKVDTAP-UHFFFAOYSA-N 1 0 378.523 2.982 20 0 GFADRO O=C(/C=C\c1ccc(I)o1)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000877245608 662872422 /nfs/dbraw/zinc/87/24/22/662872422.db2.gz JLKNTEVMKNYIDB-ZPPKWVHYSA-N 1 0 386.233 2.544 20 0 GFADRO COc1ccc([C@@H]2CN(C(=O)c3c(F)cncc3Br)C[C@H]2[NH3+])cc1 ZINC000877239895 662872424 /nfs/dbraw/zinc/87/24/24/662872424.db2.gz XCMYWAALYAYOOX-SWLSCSKDSA-N 1 0 394.244 2.559 20 0 GFADRO CC(=O)N[C@H](CC(=O)N[C@H](C)C1CC[NH2+]CC1)c1ccc(Br)cc1 ZINC000877252884 662872537 /nfs/dbraw/zinc/87/25/37/662872537.db2.gz AJDCCJUZWDFOLF-SJKOYZFVSA-N 1 0 396.329 2.521 20 0 GFADRO O=C(c1ccn(-c2cccc(Br)c2)n1)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000877280278 662873082 /nfs/dbraw/zinc/87/30/82/662873082.db2.gz UZDXXGSXONHIDJ-HOCLYGCPSA-N 1 0 375.270 2.601 20 0 GFADRO Cc1c(C(=O)N2CCC[C@H]3[NH2+]CC[C@H]32)cnn1-c1cccc(Br)c1 ZINC000877280784 662873113 /nfs/dbraw/zinc/87/31/13/662873113.db2.gz XMASTRAICYLGQP-IAGOWNOFSA-N 1 0 389.297 2.910 20 0 GFADRO O=C(c1cc(F)c(F)cc1I)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000877281111 662873119 /nfs/dbraw/zinc/87/31/19/662873119.db2.gz YYGYJODNZBAAKV-CHWSQXEVSA-N 1 0 392.187 2.536 20 0 GFADRO Cc1c(Br)cccc1CC(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000877355733 662874214 /nfs/dbraw/zinc/87/42/14/662874214.db2.gz BKCVXOOTAZJDKC-VXGBXAGGSA-N 1 0 379.220 2.896 20 0 GFADRO CN[C@H](C(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1)c1cccc(Cl)c1Cl ZINC000877357370 662874347 /nfs/dbraw/zinc/87/43/47/662874347.db2.gz SCNCVJUIDGBHRY-PLMOITTCSA-N 1 0 384.229 2.850 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)CCOc2cccc(Br)c2)C[C@H]1C(F)(F)F ZINC000877365308 662874753 /nfs/dbraw/zinc/87/47/53/662874753.db2.gz DOJZNRRZJOCOBX-ZWNOBZJWSA-N 1 0 395.219 2.814 20 0 GFADRO COc1ccc(Br)c(C(=O)N2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)c1 ZINC000877369410 662874957 /nfs/dbraw/zinc/87/49/57/662874957.db2.gz YYOZURVAHTWMMJ-GZMMTYOYSA-N 1 0 381.192 2.667 20 0 GFADRO O=C(N[C@]12CCC[C@H]1[NH2+]CC2)c1cnn(-c2ccccc2)c1Br ZINC000877387585 662875193 /nfs/dbraw/zinc/87/51/93/662875193.db2.gz OMYMUNZFVGTQHW-PBHICJAKSA-N 1 0 375.270 2.649 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C(=O)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000877388748 662875310 /nfs/dbraw/zinc/87/53/10/662875310.db2.gz FFMXQMLJNNAMLZ-FUHWJXTLSA-N 1 0 389.297 2.958 20 0 GFADRO O=C(N[C@]12CCC[C@@H]1[NH2+]CC2)c1cc(=O)[nH]c2c(Br)cccc12 ZINC000877395426 662875471 /nfs/dbraw/zinc/87/54/71/662875471.db2.gz YLFILNPHRRLCDZ-GUYCJALGSA-N 1 0 376.254 2.717 20 0 GFADRO COc1ccc(Br)cc1C(=O)CCC(=O)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000877400498 662875496 /nfs/dbraw/zinc/87/54/96/662875496.db2.gz VRNFQYWEZFNXLW-AEFFLSMTSA-N 1 0 395.297 2.821 20 0 GFADRO Cc1c(C(=O)N[C@]23CCC[C@@H]2[NH2+]CC3)cnn1-c1ccc(Br)cc1 ZINC000877397877 662875521 /nfs/dbraw/zinc/87/55/21/662875521.db2.gz MFBIVMFJPCVEET-WMZOPIPTSA-N 1 0 389.297 2.958 20 0 GFADRO Cn1ncc(CCC[NH2+][C@H]2CCN(C)[C@@H](c3ccc(Br)cc3)C2)n1 ZINC000877550574 662878674 /nfs/dbraw/zinc/87/86/74/662878674.db2.gz IXOOPBMPXRZSAV-FUHWJXTLSA-N 1 0 392.345 2.935 20 0 GFADRO CCO[P@@](C)(=O)CC[C@@H](C)[NH2+]CCn1cc(Br)ccc1=O ZINC000877556302 662878810 /nfs/dbraw/zinc/87/88/10/662878810.db2.gz OTYUQFKCKMYDOP-XUSGNXJCSA-N 1 0 379.235 2.923 20 0 GFADRO CCO[P@](C)(=O)CC[C@@H](C)[NH2+]Cc1nn(C)cc1I ZINC000877573880 662879132 /nfs/dbraw/zinc/87/91/32/662879132.db2.gz WPMUBEZAAKYVNN-DGIBIBHMSA-N 1 0 399.213 2.837 20 0 GFADRO CCO[P@@](C)(=O)CC[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1NS(=O)(=O)C1CC1 ZINC000877700561 662882217 /nfs/dbraw/zinc/88/22/17/662882217.db2.gz DFPHDQXMTCHLRV-UAYQAUMTSA-N 1 0 380.491 2.692 20 0 GFADRO COc1cc(Br)c(C[NH2+]C[C@@H]2CC3(CO2)CCOCC3)cc1O ZINC000877728548 662882522 /nfs/dbraw/zinc/88/25/22/662882522.db2.gz GDDLXPBKZPDQJS-ZDUSSCGKSA-N 1 0 386.286 2.839 20 0 GFADRO O=c1[nH]c2c(cc1C[NH2+]Cc1cnn3cc(Br)cnc13)CCCC2 ZINC000877777650 662883538 /nfs/dbraw/zinc/88/35/38/662883538.db2.gz DCRJAAOKERKOOL-UHFFFAOYSA-N 1 0 388.269 2.761 20 0 GFADRO COC(=O)CC[N@@H+](Cc1ccccc1)C[C@@H](O)c1cc(Br)no1 ZINC000878029914 662888540 /nfs/dbraw/zinc/88/85/40/662888540.db2.gz RVOIQHROXPYNPV-CYBMUJFWSA-N 1 0 383.242 2.536 20 0 GFADRO Cc1nc(CNCc2ccc(N3CC[NH+](C)CC3)nc2)sc1Br ZINC000878078805 662889359 /nfs/dbraw/zinc/88/93/59/662889359.db2.gz JZEZBSKRNWKXKH-UHFFFAOYSA-N 1 0 396.358 2.651 20 0 GFADRO Cn1cc([C@@H](O)C[C@H]2CCC[N@@H+]2C[C@@H](O)c2ccc(Br)cc2)cn1 ZINC000878332087 662894079 /nfs/dbraw/zinc/89/40/79/662894079.db2.gz JKXBWDWWEYGIPE-FGTMMUONSA-N 1 0 394.313 2.804 20 0 GFADRO C[C@@H]([NH2+]C[C@@H](O)c1cc(Br)no1)c1cccc(N2CCCC2=O)c1 ZINC000878357115 662894360 /nfs/dbraw/zinc/89/43/60/662894360.db2.gz CCKHOSNXRKVUHX-BXUZGUMPSA-N 1 0 394.269 2.948 20 0 GFADRO C[C@H]([NH2+]C[C@H](O)c1cc(Br)no1)c1cccc(N2CCOC2=O)c1 ZINC000878358832 662894516 /nfs/dbraw/zinc/89/45/16/662894516.db2.gz WLDASDAXADDNFC-GWCFXTLKSA-N 1 0 396.241 2.778 20 0 GFADRO C[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(Br)nn1-c1ncccc1Cl ZINC000878428476 662896231 /nfs/dbraw/zinc/89/62/31/662896231.db2.gz OAROUOORJWIPHY-SNVBAGLBSA-N 1 0 398.692 2.507 20 0 GFADRO OCC[N@@H+](Cc1ccc(Br)s1)C[C@@H]1CC2(CO1)CCOCC2 ZINC000878506858 662897700 /nfs/dbraw/zinc/89/77/00/662897700.db2.gz NLCGOUGSXOSTCG-ZDUSSCGKSA-N 1 0 390.343 2.891 20 0 GFADRO Cn1nccc1C1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@H](O)c1cc(Br)no1 ZINC000878569311 662899053 /nfs/dbraw/zinc/89/90/53/662899053.db2.gz UCUMSCVBPPWBCU-CMGMYYOESA-N 1 0 381.274 2.615 20 0 GFADRO CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]C[C@H](O)c3ccc(Br)cc3)[C@H]2C1 ZINC000878623745 662900601 /nfs/dbraw/zinc/90/06/01/662900601.db2.gz WDBDMLISFFBRJR-OWLYRPNTSA-N 1 0 381.314 2.719 20 0 GFADRO OC[C@H]([NH2+]C[C@@H](O)C[C@@H](O)c1ccccc1)c1ccc(Br)c(F)c1 ZINC000878645097 662901522 /nfs/dbraw/zinc/90/15/22/662901522.db2.gz HWDHJMBPEGAIFG-JCGIZDLHSA-N 1 0 398.272 2.696 20 0 GFADRO OCC1([C@@H]([NH2+]C[C@H](O)c2ccc(Br)cc2)[C@H]2CCCO2)CCC1 ZINC000878866634 662907700 /nfs/dbraw/zinc/90/77/00/662907700.db2.gz CXSKQSUHSUUWSK-BBWFWOEESA-N 1 0 384.314 2.782 20 0 GFADRO C[NH+]1CCC(n2cc(NC(=O)Nc3ccc(Br)nc3)cn2)CC1 ZINC000878959503 662911217 /nfs/dbraw/zinc/91/12/17/662911217.db2.gz QSKJNOLTGYQBEJ-UHFFFAOYSA-N 1 0 379.262 2.951 20 0 GFADRO O=C(Nc1ccc(Br)nc1)N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000878961418 662911400 /nfs/dbraw/zinc/91/14/00/662911400.db2.gz XDSMLENYRMJDRB-AWEZNQCLSA-N 1 0 383.290 2.609 20 0 GFADRO O=C(Nc1cncc(Br)c1)N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000879031017 662913907 /nfs/dbraw/zinc/91/39/07/662913907.db2.gz LMRILBOPGFHIPD-CQSZACIVSA-N 1 0 383.290 2.609 20 0 GFADRO C[C@H](NCC(=O)NC1CC[NH+](C)CC1)c1cc(F)c(Br)cc1F ZINC000879033889 662913976 /nfs/dbraw/zinc/91/39/76/662913976.db2.gz SOKFUQHOZNJRMZ-JTQLQIEISA-N 1 0 390.272 2.588 20 0 GFADRO C[NH+]1CCC2(CCN([C@H](C(N)=O)c3ccc(Br)cc3F)CC2)CC1 ZINC000879249957 662921699 /nfs/dbraw/zinc/92/16/99/662921699.db2.gz HQQQBFLGCRDSII-INIZCTEOSA-N 1 0 398.320 2.922 20 0 GFADRO C[NH+]1CCC2(CCN([C@@H](C(N)=O)c3ccc(Br)cc3F)CC2)CC1 ZINC000879249958 662921708 /nfs/dbraw/zinc/92/17/08/662921708.db2.gz HQQQBFLGCRDSII-MRXNPFEDSA-N 1 0 398.320 2.922 20 0 GFADRO C[N@@H+]1CC[C@H]2CN(Cc3nc(Cc4cccc(Br)c4)no3)CC[C@H]21 ZINC000879571804 662929703 /nfs/dbraw/zinc/92/97/03/662929703.db2.gz CEGIGIVXKVKLHH-GOEBONIOSA-N 1 0 391.313 2.949 20 0 GFADRO Cn1nc(Br)cc1NC(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1 ZINC000879644577 662933257 /nfs/dbraw/zinc/93/32/57/662933257.db2.gz HJEAKUKTMNLZGE-UHFFFAOYSA-N 1 0 398.280 2.917 20 0 GFADRO C[C@@]1(Cc2ccc(Cl)c(F)c2)CCC[N@@H+]1CC1(O)CCS(=O)(=O)CC1 ZINC000879646974 662934066 /nfs/dbraw/zinc/93/40/66/662934066.db2.gz YPCJEWULZURRCX-KRWDZBQOSA-N 1 0 389.920 2.816 20 0 GFADRO CC(C)(C)OC(=O)NC[C@]1(C(C)(C)C)CC[N@H+](CCCS(C)(=O)=O)C1 ZINC000879653084 662934079 /nfs/dbraw/zinc/93/40/79/662934079.db2.gz MJBFWAAMXWIJHM-GOSISDBHSA-N 1 0 376.563 2.684 20 0 GFADRO COC[C@H]([NH2+]CC[C@H]1CCS(=O)(=O)C1)c1cccc(Br)c1 ZINC000879662837 662935104 /nfs/dbraw/zinc/93/51/04/662935104.db2.gz MTSQZPLDSXWLDV-WFASDCNBSA-N 1 0 376.316 2.551 20 0 GFADRO COC[C@@H]([NH2+]CC[C@@H]1CCS(=O)(=O)C1)c1cccc(Br)c1 ZINC000879662835 662935187 /nfs/dbraw/zinc/93/51/87/662935187.db2.gz MTSQZPLDSXWLDV-IUODEOHRSA-N 1 0 376.316 2.551 20 0 GFADRO O=C(Nc1ccnc(Br)c1)N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000879667973 662935515 /nfs/dbraw/zinc/93/55/15/662935515.db2.gz KUWZVBSKCRAZAG-AWEZNQCLSA-N 1 0 383.290 2.609 20 0 GFADRO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)Cc1c(Br)cnn1C)[NH+](C)C ZINC000879901385 662941829 /nfs/dbraw/zinc/94/18/29/662941829.db2.gz OMJUHOUIGQNOOY-FZKQIMNGSA-N 1 0 393.329 2.841 20 0 GFADRO CC(C)(O)[C@H]1CCC[N@H+](C[C@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000879963909 662943518 /nfs/dbraw/zinc/94/35/18/662943518.db2.gz QUQJUEZRONQAFG-WFASDCNBSA-N 1 0 390.293 2.811 20 0 GFADRO Cn1cc(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)c(Br)n1 ZINC000880037402 662946043 /nfs/dbraw/zinc/94/60/43/662946043.db2.gz FWZNAVAZOFDZPR-CYBMUJFWSA-N 1 0 378.274 2.579 20 0 GFADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)Nc1cn(C)nc1Br ZINC000880054804 662948221 /nfs/dbraw/zinc/94/82/21/662948221.db2.gz MDSZBNLFEZJRNW-TZMCWYRMSA-N 1 0 392.301 2.825 20 0 GFADRO COc1ccc([C@@H](C[NH+](C)C)NC(=O)Nc2cn(C)nc2Br)cc1 ZINC000880060471 662949005 /nfs/dbraw/zinc/94/90/05/662949005.db2.gz WCYLCTIHGVIODK-CYBMUJFWSA-N 1 0 396.289 2.616 20 0 GFADRO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)c2ccc(OC(F)F)c(Br)c2)C1 ZINC000880090971 662950876 /nfs/dbraw/zinc/95/08/76/662950876.db2.gz QPYZARWANFTPNJ-JQWIXIFHSA-N 1 0 375.213 2.827 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(C(=O)Nc3nnc(C(F)(F)C(F)(F)F)s3)CC[C@H]21 ZINC000880226927 662955762 /nfs/dbraw/zinc/95/57/62/662955762.db2.gz UUALSUJNDCJOOJ-HTQZYQBOSA-N 1 0 385.362 2.750 20 0 GFADRO CC(=O)N1C[C@@H]2C[N@H+](CC(=O)N[C@@H](C)c3ccc(Cl)c(Cl)c3)C[C@@H]2C1 ZINC000880309594 662957560 /nfs/dbraw/zinc/95/75/60/662957560.db2.gz QLKSQLGJOUKOBH-TUKIKUTGSA-N 1 0 384.307 2.581 20 0 GFADRO CO[C@]1(C(F)(F)F)CCN(CCC[N@@H+]2CC[C@](OC)(C(F)(F)F)C2)C1 ZINC000880306567 662957660 /nfs/dbraw/zinc/95/76/60/662957660.db2.gz VREMRDIKXILEOT-CHWSQXEVSA-N 1 0 378.357 2.683 20 0 GFADRO CC(=O)N1C[C@@H]2C[N@H+]([C@H]3CCN(c4ccc(Cl)cc4Cl)C3=O)C[C@@H]2C1 ZINC000880311597 662957869 /nfs/dbraw/zinc/95/78/69/662957869.db2.gz JPYWXYJOPHTEBV-AHIWAGSCSA-N 1 0 382.291 2.509 20 0 GFADRO C[NH+](C)[C@@]1(CNC(=O)Nc2ccc(C(=O)C(F)(F)F)cc2)CCSC1 ZINC000880432064 662960084 /nfs/dbraw/zinc/96/00/84/662960084.db2.gz KHAULZFTAJIDKP-OAHLLOKOSA-N 1 0 375.416 2.990 20 0 GFADRO COc1cc(Br)ccc1NC(=O)N[C@@H](C)CC[NH+]1CCN(C)CC1 ZINC000880631463 662965921 /nfs/dbraw/zinc/96/59/21/662965921.db2.gz DXLNIEXBVDZGIF-ZDUSSCGKSA-N 1 0 399.333 2.605 20 0 GFADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)Nc1cc(Cl)cc(Cl)c1F ZINC000880890973 662977107 /nfs/dbraw/zinc/97/71/07/662977107.db2.gz GSVIXFHDFIAIGB-LBPRGKRZSA-N 1 0 377.247 2.594 20 0 GFADRO O=C(Cc1ccc(Br)cc1)N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000881470003 662995178 /nfs/dbraw/zinc/99/51/78/662995178.db2.gz OOBJUDWMJAGXAU-KRWDZBQOSA-N 1 0 381.314 2.751 20 0 GFADRO COc1cc(C(=O)N2CCC[C@H]([NH2+]C3CCOCC3)C2)ccc1Br ZINC000881479061 662995443 /nfs/dbraw/zinc/99/54/43/662995443.db2.gz PALKOVIVVVOGJP-HNNXBMFYSA-N 1 0 397.313 2.831 20 0 GFADRO Cc1ccc(Br)nc1C(=O)N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000881477775 662995491 /nfs/dbraw/zinc/99/54/91/662995491.db2.gz ZAJGGPYZWLBORJ-AWEZNQCLSA-N 1 0 382.302 2.526 20 0 GFADRO COc1cc(CS(=O)(=O)NC2CC[NH+](CC3CCCCC3)CC2)sn1 ZINC000881825096 663004834 /nfs/dbraw/zinc/00/48/34/663004834.db2.gz HTOMRRQIHAKNPC-UHFFFAOYSA-N 1 0 387.571 2.616 20 0 GFADRO Brc1nnc2ccc(N3C[C@@H]4CC[N@H+](Cc5ccccc5)[C@@H]4C3)nn12 ZINC000882481966 663028817 /nfs/dbraw/zinc/02/88/17/663028817.db2.gz GRJBNZOLFISCFR-LSDHHAIUSA-N 1 0 399.296 2.598 20 0 GFADRO CC1([NH+]2CCC2)CCN(S(=O)(=O)c2cc(Br)ccc2F)CC1 ZINC000882768968 663041247 /nfs/dbraw/zinc/04/12/47/663041247.db2.gz BSUWCPDCVVEDIZ-UHFFFAOYSA-N 1 0 391.306 2.837 20 0 GFADRO COc1cc2[nH+]ccc(N3C[C@@H]4CN(C(C)=O)C[C@@H]4C3)c2cc1Br ZINC000882849407 663043870 /nfs/dbraw/zinc/04/38/70/663043870.db2.gz IRQLSLSHAZIBMB-BETUJISGSA-N 1 0 390.281 2.920 20 0 GFADRO COC[C@H]([NH2+]Cc1cn2cc(Br)cc(C)c2n1)[C@H]1CCCOC1 ZINC000883216327 663051573 /nfs/dbraw/zinc/05/15/73/663051573.db2.gz OJYJWPBWRDUCFA-BBRMVZONSA-N 1 0 382.302 2.936 20 0 GFADRO COC[C@H]([NH2+]C[C@@H](CO)Cc1cccc(Br)c1)[C@H]1CCCOC1 ZINC000883219070 663051595 /nfs/dbraw/zinc/05/15/95/663051595.db2.gz LQNXCBZWFMZRLF-BQFCYCMXSA-N 1 0 386.330 2.631 20 0 GFADRO OC[C@H](C[NH2+]Cc1cn(-c2ccccc2Br)nn1)Cc1ccoc1 ZINC000883271172 663052081 /nfs/dbraw/zinc/05/20/81/663052081.db2.gz HENCSJBZKNUDNO-AWEZNQCLSA-N 1 0 391.269 2.564 20 0 GFADRO O=S1(=O)CCC[C@@H]1CC[NH2+]Cc1cc(Cl)ccc1OC[C@@H]1CCCO1 ZINC000883299519 663052846 /nfs/dbraw/zinc/05/28/46/663052846.db2.gz WXRHUBFBRWJZFB-DLBZAZTESA-N 1 0 387.929 2.955 20 0 GFADRO C[C@H]([NH2+]CC[C@@H]1CCCS1(=O)=O)c1ccccc1I ZINC000883306113 663053208 /nfs/dbraw/zinc/05/32/08/663053208.db2.gz NSDGWOBNHQKULI-RYUDHWBXSA-N 1 0 393.290 2.909 20 0 GFADRO CN(Cc1cscc1Br)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000883331605 663053584 /nfs/dbraw/zinc/05/35/84/663053584.db2.gz AYRASAKDXGOKBH-QWHCGFSZSA-N 1 0 388.331 2.515 20 0 GFADRO CC(=O)NC1CCC([NH2+][C@@H]2CCc3cc(Br)ccc3NC2=O)CC1 ZINC000883377520 663054416 /nfs/dbraw/zinc/05/44/16/663054416.db2.gz KAYAIOBJWQXVKB-VMBOVVBDSA-N 1 0 394.313 2.739 20 0 GFADRO CN(Cc1cc(=O)n2cc(Br)ccc2n1)C1(C[NH3+])CCCCC1 ZINC000883453316 663055382 /nfs/dbraw/zinc/05/53/82/663055382.db2.gz KRZQKKOEUPTHDZ-UHFFFAOYSA-N 1 0 379.302 2.550 20 0 GFADRO [NH3+][C@@H](C(=O)NCCc1ccc2c(c1)OCCO2)c1ccc(Br)cc1 ZINC000884051324 663064235 /nfs/dbraw/zinc/06/42/35/663064235.db2.gz BTNMOTJQNKWUQM-QGZVFWFLSA-N 1 0 391.265 2.579 20 0 GFADRO CC1(C)C[NH2+]C[C@@H]1C(=O)NC[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000884200555 663066914 /nfs/dbraw/zinc/06/69/14/663066914.db2.gz FJPPPCFLIXXESQ-CZUORRHYSA-N 1 0 380.330 2.637 20 0 GFADRO [NH3+][C@H](C(=O)NCCN1CCc2sccc2C1)c1ccc(Br)cc1 ZINC000884200347 663066928 /nfs/dbraw/zinc/06/69/28/663066928.db2.gz ZQRLFNJBJVZDGY-INIZCTEOSA-N 1 0 394.338 2.685 20 0 GFADRO O=C(c1ccc(OC(F)F)c(Br)c1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000884250628 663067703 /nfs/dbraw/zinc/06/77/03/663067703.db2.gz KCLMTSQPKCBOES-HNNXBMFYSA-N 1 0 375.213 2.876 20 0 GFADRO C[C@H](CCC[NH3+])NC(=O)c1cc(Br)nn1-c1ncccc1Cl ZINC000884296094 663068298 /nfs/dbraw/zinc/06/82/98/663068298.db2.gz OUBONXBEUUARSN-SECBINFHSA-N 1 0 386.681 2.540 20 0 GFADRO C[C@H](NC(=O)[C@H]([NH3+])c1ccc(Br)cc1)[C@@H](O)Cc1ccccc1 ZINC000884328474 663068918 /nfs/dbraw/zinc/06/89/18/663068918.db2.gz QTOSNXGZOSFSFW-AFAVFJNCSA-N 1 0 377.282 2.557 20 0 GFADRO [NH3+][C@@H](C(=O)N1CC[C@@H](OCc2ccncc2)C1)c1ccc(Br)cc1 ZINC000884334317 663069184 /nfs/dbraw/zinc/06/91/84/663069184.db2.gz MNUYZAVBRDUYHB-IAGOWNOFSA-N 1 0 390.281 2.662 20 0 GFADRO Cc1cc(Br)cc(C)c1CNC(=O)C(=O)N(C)CCCCCC[NH3+] ZINC000884545847 663072289 /nfs/dbraw/zinc/07/22/89/663072289.db2.gz TUMBEJSZEFNVAB-UHFFFAOYSA-N 1 0 398.345 2.660 20 0 GFADRO Cc1cc(Br)ccc1CS(=O)(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000884930326 663079112 /nfs/dbraw/zinc/07/91/12/663079112.db2.gz RLMAGIBGSGBELQ-ZDUSSCGKSA-N 1 0 387.343 2.661 20 0 GFADRO COc1cc(Cl)c(S(=O)(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1Cl ZINC000884949270 663079295 /nfs/dbraw/zinc/07/92/95/663079295.db2.gz CJCNSIAJIOGNTM-QWRGUYRKSA-N 1 0 379.309 2.907 20 0 GFADRO COc1ccc(S(=O)(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c(Cl)c1Cl ZINC000884953166 663079380 /nfs/dbraw/zinc/07/93/80/663079380.db2.gz UYPPBUDVHXXXIY-GHMZBOCLSA-N 1 0 379.309 2.907 20 0 GFADRO O=S(=O)(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1cc(Cl)ccc1OC(F)F ZINC000884960466 663079911 /nfs/dbraw/zinc/07/99/11/663079911.db2.gz WAKWUFSEJIIABX-NEPJUHHUSA-N 1 0 380.844 2.847 20 0 GFADRO CN(Cc1c(Cl)cccc1Cl)C(=O)C(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000884973820 663081742 /nfs/dbraw/zinc/08/17/42/663081742.db2.gz HDRTVZXVRSIDSY-GFCCVEGCSA-N 1 0 386.323 2.846 20 0 GFADRO COc1ccc(Br)c(C(=O)NCCC[NH2+]Cc2[nH]nc(C)c2C)c1 ZINC000885978408 663102264 /nfs/dbraw/zinc/10/22/64/663102264.db2.gz XMIFEUDCMZFFMO-UHFFFAOYSA-N 1 0 395.301 2.707 20 0 GFADRO Cn1cc([C@@H](O)C[NH2+]Cc2cc(Br)c(Br)s2)cn1 ZINC000885999133 663102398 /nfs/dbraw/zinc/10/23/98/663102398.db2.gz FKOSJJXIKDIQCA-JTQLQIEISA-N 1 0 395.120 2.830 20 0 GFADRO OCC[C@@]1([NH2+]Cc2cc(Br)c(Br)s2)CCOC1 ZINC000886094492 663103094 /nfs/dbraw/zinc/10/30/94/663103094.db2.gz TXADMRCMVIXDEO-LLVKDONJSA-N 1 0 385.121 2.904 20 0 GFADRO CN(C)S(=O)(=O)C1(C[NH2+]Cc2ccc(Br)c3cccnc23)CC1 ZINC000886321235 663108161 /nfs/dbraw/zinc/10/81/61/663108161.db2.gz XVFKHRZKIHESTQ-UHFFFAOYSA-N 1 0 398.326 2.511 20 0 GFADRO Cc1cc(N2C[C@@H]3CSC[C@@H]3C2)nc([C@H](C)[N@@H+]2C[C@@H]3CSC[C@@H]3C2)n1 ZINC000886568493 663113776 /nfs/dbraw/zinc/11/37/76/663113776.db2.gz LPWJPTKLGIHPOI-ZOFXXKQRSA-N 1 0 376.595 2.940 20 0 GFADRO C[C@H](C(=O)NC1(c2ncc(Br)cn2)CCC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000886836653 663121323 /nfs/dbraw/zinc/12/13/23/663121323.db2.gz JPSOZBOVCYRMES-JHJVBQTASA-N 1 0 381.318 2.996 20 0 GFADRO Cc1cc(Br)ccc1CS(=O)(=O)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000886887905 663123474 /nfs/dbraw/zinc/12/34/74/663123474.db2.gz LBTIEARAXBWUGQ-OAHLLOKOSA-N 1 0 387.343 2.852 20 0 GFADRO O=S(=O)(/C=C\c1cccc(Br)c1)NC[C@H]1C[NH2+]CCC1(F)F ZINC000886896482 663123919 /nfs/dbraw/zinc/12/39/19/663123919.db2.gz LCMPKUFGIOOUIS-DJFZKKHWSA-N 1 0 395.269 2.584 20 0 GFADRO O=S(=O)(NC[C@H]1C[NH2+]CCC1(F)F)c1cc(Cl)ccc1C(F)(F)F ZINC000886898261 663124042 /nfs/dbraw/zinc/12/40/42/663124042.db2.gz WQNXNHBKFYMODF-MRVPVSSYSA-N 1 0 392.777 2.882 20 0 GFADRO COC[C@@H]([NH2+]CCS(=O)(=O)c1cc(Cl)ccc1Cl)[C@@H]1CCCOC1 ZINC000886903843 663124319 /nfs/dbraw/zinc/12/43/19/663124319.db2.gz JOFCBEKUHRJXOW-IUODEOHRSA-N 1 0 396.336 2.798 20 0 GFADRO COC[C@H]([NH2+]C[C@H](O)COc1ccc(Cl)c(Cl)c1)[C@@H]1CCCOC1 ZINC000886905131 663124337 /nfs/dbraw/zinc/12/43/37/663124337.db2.gz AFDRPXIFJZUJIU-IGCXYCKISA-N 1 0 378.296 2.764 20 0 GFADRO [NH3+]C[C@@H]1CCCN(C(=O)C(=O)Nc2cc(Br)c3ccccc3c2)C1 ZINC000886981996 663126995 /nfs/dbraw/zinc/12/69/95/663126995.db2.gz BBCDXASUGBUORN-LBPRGKRZSA-N 1 0 390.281 2.738 20 0 GFADRO C[C@H]1CN(C(=O)C(=O)Nc2cc(Br)c3ccccc3c2)CC[C@@H]1[NH3+] ZINC000886982507 663127162 /nfs/dbraw/zinc/12/71/62/663127162.db2.gz RJOSTWSCKJXSSH-ZBEGNZNMSA-N 1 0 390.281 2.737 20 0 GFADRO O=C(Nc1cc(Br)c2ccccc2c1)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000886983847 663127328 /nfs/dbraw/zinc/12/73/28/663127328.db2.gz JTENPZWZLDEAMN-CYBMUJFWSA-N 1 0 390.281 2.799 20 0 GFADRO [NH3+]CC1(CCNC(=O)C(=O)Nc2cc(Br)c3ccccc3c2)CC1 ZINC000886983642 663127340 /nfs/dbraw/zinc/12/73/40/663127340.db2.gz DUEDVRPGIWMBOI-UHFFFAOYSA-N 1 0 390.281 2.786 20 0 GFADRO CNC(=O)C1([NH2+]CCSc2ccnc3cc(Cl)ccc32)CCOCC1 ZINC000887089496 663132822 /nfs/dbraw/zinc/13/28/22/663132822.db2.gz DDVNJGJSHBQPOG-UHFFFAOYSA-N 1 0 379.913 2.865 20 0 GFADRO C[C@H](c1ccc(F)c(Br)c1)n1cc(CN2CCC[C@H]([NH3+])C2)nn1 ZINC000887419241 663146000 /nfs/dbraw/zinc/14/60/00/663146000.db2.gz HWVGBLRCEBJZDP-YPMHNXCESA-N 1 0 382.281 2.712 20 0 GFADRO CC[C@](O)(CCC(F)(F)F)CNC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000887510453 663150269 /nfs/dbraw/zinc/15/02/69/663150269.db2.gz HUDXRXTWFHRXPG-ZBFHGGJFSA-N 1 0 382.492 2.804 20 0 GFADRO CC[NH+](CC)[C@@H](CNC(=O)c1cn(C)nc1Br)c1ccccc1 ZINC000887708469 663158706 /nfs/dbraw/zinc/15/87/06/663158706.db2.gz XBGJFWJDRXBYFJ-HNNXBMFYSA-N 1 0 379.302 2.996 20 0 GFADRO Cc1ncc(CC(=O)Nc2cc(Br)ccc2N2CC[NH+](C)CC2)o1 ZINC000887744002 663159993 /nfs/dbraw/zinc/15/99/93/663159993.db2.gz NQEIAPDHQQBRTL-UHFFFAOYSA-N 1 0 393.285 2.679 20 0 GFADRO CCC1([NH+]2CCC2)CCN(C(=O)Nc2cc(Br)cn(C)c2=O)CC1 ZINC000887872280 663166758 /nfs/dbraw/zinc/16/67/58/663166758.db2.gz NIJAVRBANQSXRU-UHFFFAOYSA-N 1 0 397.317 2.630 20 0 GFADRO C[N@@H+]1C[C@@H]2CN(C(=O)C[C@@H]3Sc4ccc(Cl)cc4NC3=O)C[C@]2(C)C1 ZINC000887936373 663170834 /nfs/dbraw/zinc/17/08/34/663170834.db2.gz HCATWMDYYPXMJJ-PSZVPEGOSA-N 1 0 379.913 2.553 20 0 GFADRO Cn1ncc(Br)c1CC(=O)N1C[C@H]2CCC[N@@H+]2Cc2ccccc21 ZINC000888283626 663185812 /nfs/dbraw/zinc/18/58/12/663185812.db2.gz VZKFPPPJGTXSHL-CQSZACIVSA-N 1 0 389.297 2.736 20 0 GFADRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2cn(C)nc2Br)C1 ZINC000888370273 663191386 /nfs/dbraw/zinc/19/13/86/663191386.db2.gz CSWZDOVBNYZXAU-OCCSQVGLSA-N 1 0 377.286 2.748 20 0 GFADRO O=C(Nc1nc2ccc(Cl)nc2s1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000888786752 663215897 /nfs/dbraw/zinc/21/58/97/663215897.db2.gz WEAARTYCNVRLBS-LLVKDONJSA-N 1 0 381.889 2.531 20 0 GFADRO C[NH+]1CCC2(CCN2C(=O)[C@@]2(C)CC2(Br)Br)CC1 ZINC000889219934 663237813 /nfs/dbraw/zinc/23/78/13/663237813.db2.gz GFLKGXNCXHPOFA-LLVKDONJSA-N 1 0 380.124 2.579 20 0 GFADRO O=C(c1cc(Br)ccc1C1CC1)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000889741823 663261955 /nfs/dbraw/zinc/26/19/55/663261955.db2.gz GCAKKFGPFMTDCZ-MSOLQXFVSA-N 1 0 393.325 2.998 20 0 GFADRO Cc1cc(Br)cc(C(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)c1C ZINC000889747832 663262790 /nfs/dbraw/zinc/26/27/90/663262790.db2.gz BQRQGGVGHFUFSX-SJORKVTESA-N 1 0 381.314 2.737 20 0 GFADRO Cc1ccc(C(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)c(C)c1Br ZINC000889757432 663263910 /nfs/dbraw/zinc/26/39/10/663263910.db2.gz SPESJQTVJVAJHQ-JKSUJKDBSA-N 1 0 381.314 2.737 20 0 GFADRO C[C@H](C(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO)c1ccc(Br)s1 ZINC000889767283 663265316 /nfs/dbraw/zinc/26/53/16/663265316.db2.gz GVFCOIHSMYRQEZ-YNEHKIRRSA-N 1 0 387.343 2.672 20 0 GFADRO Cn1cc(C(=O)N2c3ccccc3CC[C@@H]2C[NH+](C)C)c(Br)n1 ZINC000891091800 663324658 /nfs/dbraw/zinc/32/46/58/663324658.db2.gz WFMPTOCEAWJDCN-CYBMUJFWSA-N 1 0 377.286 2.706 20 0 GFADRO COCCC1(NC(=O)NCCc2ccc(Br)s2)CC[NH2+]CC1 ZINC000891333500 663336615 /nfs/dbraw/zinc/33/66/15/663336615.db2.gz RAGSNFSXEKXKBT-UHFFFAOYSA-N 1 0 390.347 2.511 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)NCc2cc(Br)ccc2F)C[C@@H]1C(F)(F)F ZINC000891363544 663337441 /nfs/dbraw/zinc/33/74/41/663337441.db2.gz KORWPLZDPPIQOP-KOLCDFICSA-N 1 0 398.198 2.867 20 0 GFADRO C[C@@H](NC(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2)c1ccc(Br)cc1 ZINC000891448881 663339727 /nfs/dbraw/zinc/33/97/27/663339727.db2.gz WXGZREFGMSQLPC-CJNGLKHVSA-N 1 0 396.329 2.968 20 0 GFADRO O=C(NC[C@H]1C[NH2+]CCC1(F)F)N[C@H]1CCc2c1cccc2Br ZINC000891501323 663341526 /nfs/dbraw/zinc/34/15/26/663341526.db2.gz BPMPMSZHPOKPJT-YGRLFVJLSA-N 1 0 388.256 2.980 20 0 GFADRO C[C@]1(Br)C[C@@H]1C[NH+]1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000891543102 663343272 /nfs/dbraw/zinc/34/32/72/663343272.db2.gz NCNGLGDXVIBUJQ-RISCZKNCSA-N 1 0 393.372 2.664 20 0 GFADRO O=C(NCCc1ccc(Br)cc1)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000891570334 663344143 /nfs/dbraw/zinc/34/41/43/663344143.db2.gz VFGQHFBLBTYPKK-LBPRGKRZSA-N 1 0 376.245 2.536 20 0 GFADRO CO[C@H](CNC(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1)c1ccccc1Cl ZINC000891686192 663347212 /nfs/dbraw/zinc/34/72/12/663347212.db2.gz DNBAUWRXNIHWSQ-SCDSUCTJSA-N 1 0 379.810 2.806 20 0 GFADRO CC(C)(C)c1nc(CCNC(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)cs1 ZINC000891731375 663348978 /nfs/dbraw/zinc/34/89/78/663348978.db2.gz QPSABONGRYTPKF-PWSUYJOCSA-N 1 0 378.464 2.762 20 0 GFADRO [NH3+][C@H]1C[C@H](CNC(=O)NC2CCN(Cc3cc(Cl)cc(Cl)c3)CC2)C1 ZINC000891769903 663349987 /nfs/dbraw/zinc/34/99/87/663349987.db2.gz SYTZOAPSTHEYNX-YGUOUDRMSA-N 1 0 385.339 2.994 20 0 GFADRO C[C@]12C[NH2+]C[C@H]1CN(C(=O)N[C@H]1CCOc3c(Br)cccc31)C2 ZINC000891883088 663354244 /nfs/dbraw/zinc/35/42/44/663354244.db2.gz ZFANMUWSOTUNHE-PZSREKOKSA-N 1 0 380.286 2.524 20 0 GFADRO C[C@@H](NC(=O)N[C@@H]1[C@H]2Cc3cc(Br)ccc3[C@@H]12)[C@H]1CCC[NH2+]C1 ZINC000891981730 663357627 /nfs/dbraw/zinc/35/76/27/663357627.db2.gz OGKZBFNWUYFEGT-GYNTZJLWSA-N 1 0 378.314 2.775 20 0 GFADRO C[C@@H](CCCC[NH3+])NC(=O)NCc1ccn(-c2ccc(Br)cc2)n1 ZINC000892135580 663362935 /nfs/dbraw/zinc/36/29/35/663362935.db2.gz RPJVDDISSWBWRD-ZDUSSCGKSA-N 1 0 394.317 2.952 20 0 GFADRO C[C@@H](CCC[NH3+])NC(=O)N(C)C[C@@H](O)COc1cc(Cl)cc(Cl)c1 ZINC000892138896 663363108 /nfs/dbraw/zinc/36/31/08/663363108.db2.gz GMWJHJUGYWMTBC-SMDDNHRTSA-N 1 0 378.300 2.502 20 0 GFADRO COC[C@@H](NC(=O)NCCC[C@H]1CCC[NH2+]1)c1cccc(Br)c1 ZINC000892158324 663364108 /nfs/dbraw/zinc/36/41/08/663364108.db2.gz HAELCWNWSGMONJ-HZPDHXFCSA-N 1 0 384.318 2.968 20 0 GFADRO CC[C@H]1CN(C(=O)N[C@@H]2[C@H]3Cc4cc(Br)ccc4[C@@H]23)CC[C@@H]1[NH3+] ZINC000892426875 663373377 /nfs/dbraw/zinc/37/33/77/663373377.db2.gz KJHCTNWWJFNNPW-DHIJGFHKSA-N 1 0 378.314 2.856 20 0 GFADRO COC[C@H](NC(=O)N1C2CCC1(C[NH3+])CC2)c1cccc(Br)c1 ZINC000892454498 663374298 /nfs/dbraw/zinc/37/42/98/663374298.db2.gz URXNBOCQNHTRIB-CKDBGZEDSA-N 1 0 382.302 2.802 20 0 GFADRO CC1(C)C[NH2+]CC[C@H](NC(=O)NC[C@@H](O)c2ccccc2Br)C1 ZINC000892482616 663375205 /nfs/dbraw/zinc/37/52/05/663375205.db2.gz ZFXQCTFLGKLEQR-SWLSCSKDSA-N 1 0 384.318 2.560 20 0 GFADRO CC1(C)C[NH2+]CC[C@@H](NC(=O)N[C@@H](CCO)c2ccccc2Br)C1 ZINC000892491189 663375451 /nfs/dbraw/zinc/37/54/51/663375451.db2.gz GCZJHSNLYIXLGN-CJNGLKHVSA-N 1 0 398.345 2.950 20 0 GFADRO CC(=O)Nc1cc(Br)ccc1C[NH2+]C[C@@H](C(C)C)N1CCOCC1 ZINC000892500350 663375699 /nfs/dbraw/zinc/37/56/99/663375699.db2.gz QVPNWAWHGHNEBD-SFHVURJKSA-N 1 0 398.345 2.854 20 0 GFADRO COc1ccc(Br)cc1CNC(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2C ZINC000892505913 663376077 /nfs/dbraw/zinc/37/60/77/663376077.db2.gz NYCHNUUTNUGACY-GJZGRUSLSA-N 1 0 382.302 2.836 20 0 GFADRO CC(=O)Nc1cc(Br)ccc1C[NH2+]C[C@H](O)COc1ccccc1 ZINC000892521643 663376495 /nfs/dbraw/zinc/37/64/95/663376495.db2.gz AJQAIGADQPTXNG-INIZCTEOSA-N 1 0 393.281 2.937 20 0 GFADRO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(C(=O)NCCSCCC(F)(F)F)CC1 ZINC000892542571 663376930 /nfs/dbraw/zinc/37/69/30/663376930.db2.gz PZAMLSJLYIBORB-ZIAGYGMSSA-N 1 0 383.480 2.600 20 0 GFADRO O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)N[C@@H]1[C@H]2Cc3ccc(Br)cc3[C@@H]12 ZINC000892584644 663377913 /nfs/dbraw/zinc/37/79/13/663377913.db2.gz ODYUOWUTBHXMHG-MIWDRJHESA-N 1 0 390.325 2.917 20 0 GFADRO COc1ccc(CNC(=O)N2CCC23CC[NH+](C)CC3)cc1Br ZINC000892651115 663379969 /nfs/dbraw/zinc/37/99/69/663379969.db2.gz SLZZGBVREVREFR-UHFFFAOYSA-N 1 0 382.302 2.837 20 0 GFADRO Cc1ccc(CNC(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)cc1Br ZINC000892694029 663381856 /nfs/dbraw/zinc/38/18/56/663381856.db2.gz BQPXWXKDLQZIJH-OAHLLOKOSA-N 1 0 396.329 2.715 20 0 GFADRO CC(C)(C)NS(=O)(=O)CC[NH2+]Cc1sccc1NC(=O)OC(C)(C)C ZINC000892702514 663382491 /nfs/dbraw/zinc/38/24/91/663382491.db2.gz AMWDYUKUGXPPGH-UHFFFAOYSA-N 1 0 391.559 2.903 20 0 GFADRO Brc1cnc(N2CC[NH+](C3CCOCC3)CC2)c2ncccc12 ZINC000892784480 663384596 /nfs/dbraw/zinc/38/45/96/663384596.db2.gz LOIIKMZJOBOIIL-UHFFFAOYSA-N 1 0 377.286 2.693 20 0 GFADRO Cc1ccc(I)c(C(=O)N[C@]2(C)C[NH+]3CCC2CC3)c1 ZINC000892784361 663384676 /nfs/dbraw/zinc/38/46/76/663384676.db2.gz IBVZVOVZWSEECP-MRXNPFEDSA-N 1 0 384.261 2.814 20 0 GFADRO CC(=O)NCCN(Cc1ccc(Cl)cc1Cl)C(=O)NCCC(C)(C)[NH3+] ZINC000892849153 663386749 /nfs/dbraw/zinc/38/67/49/663386749.db2.gz BDOXKHABPPDEDJ-UHFFFAOYSA-N 1 0 389.327 2.769 20 0 GFADRO CN(Cc1nc2c(s1)CCCC2)C(=O)N1CCc2sc(C[NH3+])nc2C1 ZINC000892881684 663388233 /nfs/dbraw/zinc/38/82/33/663388233.db2.gz VLWHZZGTLOCGAA-UHFFFAOYSA-N 1 0 377.539 2.547 20 0 GFADRO CCC1([NH3+])CCN(C(=O)NC[C@H](CO)Cc2ccccc2Br)CC1 ZINC000892933280 663390284 /nfs/dbraw/zinc/39/02/84/663390284.db2.gz URFCKRVPLQUULA-CQSZACIVSA-N 1 0 398.345 2.513 20 0 GFADRO O=C(NCCCCC[NH+]1CCCCC1)NCc1ncc(Br)cn1 ZINC000893103824 663396671 /nfs/dbraw/zinc/39/66/71/663396671.db2.gz NWWQPURTILSJRI-UHFFFAOYSA-N 1 0 384.322 2.695 20 0 GFADRO CO[C@H]1C[N@H+](C)[C@@](C)(COC(=O)Cc2sc(CC(F)(F)F)nc2C)C1 ZINC000893263300 663404615 /nfs/dbraw/zinc/40/46/15/663404615.db2.gz SDGLDMZQCGFPIF-IAQYHMDHSA-N 1 0 380.432 2.751 20 0 GFADRO CO[C@@H](c1ccc(Br)cc1)[C@@H](C)[NH2+]C1CC(S(C)(=O)=O)C1 ZINC000893297477 663405851 /nfs/dbraw/zinc/40/58/51/663405851.db2.gz MTNXMWBJJSGPOG-XLWNGVOXSA-N 1 0 376.316 2.690 20 0 GFADRO CCn1c(C[NH2+][C@H](CO)C(C)(C)C)nc(Br)c1Br ZINC000893548246 663415227 /nfs/dbraw/zinc/41/52/27/663415227.db2.gz DFFIJUMTGIFSLP-MRVPVSSYSA-N 1 0 383.128 2.925 20 0 GFADRO C[C@]1(Br)C[C@H]1C[NH2+][C@@H](C(N)=O)c1cccc(Br)c1 ZINC000894151949 663445907 /nfs/dbraw/zinc/44/59/07/663445907.db2.gz XAUKDKZEBMNOEP-NDMJEZRESA-N 1 0 376.092 2.739 20 0 GFADRO CCc1noc(-c2ccc(CC[NH2+]Cc3nc(Br)nn3C)cc2)n1 ZINC000894249582 663450617 /nfs/dbraw/zinc/45/06/17/663450617.db2.gz VJETVMHNUNXGCY-UHFFFAOYSA-N 1 0 391.273 2.522 20 0 GFADRO CC(C)[C@@H](C[NH2+]Cc1cn(C)nc1I)c1cccnc1 ZINC000894324782 663454635 /nfs/dbraw/zinc/45/46/35/663454635.db2.gz BVOHBTKPJOUCML-CQSZACIVSA-N 1 0 384.265 2.949 20 0 GFADRO COc1cc(Br)ccc1[C@H](C)NC(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000894361743 663457894 /nfs/dbraw/zinc/45/78/94/663457894.db2.gz OZLCCPVNEYNXHG-RWMBFGLXSA-N 1 0 382.302 2.722 20 0 GFADRO C[C@@H](C[C@H](O)c1cccs1)[NH2+]Cc1cn(C)nc1I ZINC000894369529 663458208 /nfs/dbraw/zinc/45/82/08/663458208.db2.gz AAYBACJBOCYZPZ-ONGXEEELSA-N 1 0 391.278 2.688 20 0 GFADRO Cn1ncc(I)c1CN[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000894366950 663458377 /nfs/dbraw/zinc/45/83/77/663458377.db2.gz IOLLOKQJVLRFGD-HOCLYGCPSA-N 1 0 396.276 2.560 20 0 GFADRO C[C@H](C[C@@H](O)c1cccs1)[NH2+]Cc1c(I)cnn1C ZINC000894369896 663458738 /nfs/dbraw/zinc/45/87/38/663458738.db2.gz CNJROHXUUJRVOG-BXKDBHETSA-N 1 0 391.278 2.688 20 0 GFADRO CC(=O)NC1CCC([N@H+](C)Cc2sc(N3CCOCC3)nc2Cl)CC1 ZINC000894446345 663462241 /nfs/dbraw/zinc/46/22/41/663462241.db2.gz SKJGSEABDDRVLU-UHFFFAOYSA-N 1 0 386.949 2.512 20 0 GFADRO COC1CCC(CC[NH2+]Cc2cn(C)nc2I)CC1 ZINC000894459028 663462930 /nfs/dbraw/zinc/46/29/30/663462930.db2.gz AIBLPPQXODJBOI-UHFFFAOYSA-N 1 0 377.270 2.710 20 0 GFADRO C[C@H]1CC[N@H+](CCNC(=O)N[C@@H](c2cncc(Br)c2)C2CC2)C1 ZINC000894688859 663476205 /nfs/dbraw/zinc/47/62/05/663476205.db2.gz BWZMSGXQNNOQRX-BLLLJJGKSA-N 1 0 381.318 2.936 20 0 GFADRO COc1ccc(Br)cc1C[C@H](CO)C[NH2+]C1CCC(C)(O)CC1 ZINC000894765632 663480348 /nfs/dbraw/zinc/48/03/48/663480348.db2.gz MAHXEZFLPSOYOH-BELGNNRLSA-N 1 0 386.330 2.892 20 0 GFADRO CC(C)(C[NH2+]Cc1cnc(CC(F)(F)F)s1)[C@@H]1COCC12OCCO2 ZINC000894856930 663485452 /nfs/dbraw/zinc/48/54/52/663485452.db2.gz QTGHTWAUCHTTQV-LBPRGKRZSA-N 1 0 380.432 2.753 20 0 GFADRO Cn1ncc(I)c1C[NH+]1CCC2(CCC(O)CC2)CC1 ZINC000894869677 663485910 /nfs/dbraw/zinc/48/59/10/663485910.db2.gz CDFWVVSEFFIQIX-UHFFFAOYSA-N 1 0 389.281 2.542 20 0 GFADRO CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CCC(C)(C)S(C)(=O)=O)C[C@@H]1C(F)(F)F ZINC000894911600 663488036 /nfs/dbraw/zinc/48/80/36/663488036.db2.gz ZVLCVLBIKOKMLV-UPJWGTAASA-N 1 0 387.464 2.700 20 0 GFADRO O=C(NCCC[NH2+]C1CCCCC1)c1cc(Br)cn(C2CC2)c1=O ZINC000895129799 663500348 /nfs/dbraw/zinc/50/03/48/663500348.db2.gz GLKFQAIEMZQDDV-UHFFFAOYSA-N 1 0 396.329 2.988 20 0 GFADRO COc1ncc(C(=O)N2CCN(c3cc[nH+]cc3)C[C@H]2C)cc1Br ZINC000895265555 663505832 /nfs/dbraw/zinc/50/58/32/663505832.db2.gz SBIRZCMQYPYYQM-GFCCVEGCSA-N 1 0 391.269 2.599 20 0 GFADRO COc1ccc(C(=O)N2CCN(c3cc[nH+]cc3)C[C@@H]2C)nc1Br ZINC000895267109 663505921 /nfs/dbraw/zinc/50/59/21/663505921.db2.gz FFZYEBZEILFDIU-LBPRGKRZSA-N 1 0 391.269 2.599 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC000895415808 663513036 /nfs/dbraw/zinc/51/30/36/663513036.db2.gz ZOTQWMJZSZPWQU-SFHVURJKSA-N 1 0 394.313 2.640 20 0 GFADRO CC(C)(C)OC(=O)NCCN1CCC([NH2+]CCC2SCCS2)CC1 ZINC000895453410 663515093 /nfs/dbraw/zinc/51/50/93/663515093.db2.gz KKODQOIENUHXFH-UHFFFAOYSA-N 1 0 375.604 2.761 20 0 GFADRO CCOC(=O)C1CCC([NH2+]Cc2sc(N3CCOCC3)nc2Cl)CC1 ZINC000895455321 663515135 /nfs/dbraw/zinc/51/51/35/663515135.db2.gz VQXRRQPSXFMSIN-UHFFFAOYSA-N 1 0 387.933 2.845 20 0 GFADRO CC[C@@H]([NH2+]Cc1cn(C)nc1I)[C@H](O)c1ccccc1 ZINC000895476722 663516452 /nfs/dbraw/zinc/51/64/52/663516452.db2.gz NCKKACGUALWZAL-ZIAGYGMSSA-N 1 0 385.249 2.627 20 0 GFADRO CC[C@H]([NH2+]Cc1c(I)cnn1C)[C@@H](O)c1ccccc1 ZINC000895477210 663516590 /nfs/dbraw/zinc/51/65/90/663516590.db2.gz RZUNTGJHUIDSCV-ZFWWWQNUSA-N 1 0 385.249 2.627 20 0 GFADRO CC(=O)N1C[C@@H]2C[N@@H+](CC3=Cc4cc(Br)ccc4OC3)C[C@@H]2C1 ZINC000895576289 663519451 /nfs/dbraw/zinc/51/94/51/663519451.db2.gz NHKGXPQVGLTAMC-IYBDPMFKSA-N 1 0 377.282 2.635 20 0 GFADRO Clc1cc(Cl)cc(CC[NH2+][C@H]2CCN(c3ccc4nncn4n3)C2)c1 ZINC000895586814 663519942 /nfs/dbraw/zinc/51/99/42/663519942.db2.gz XLASUNWZLKNXQS-HNNXBMFYSA-N 1 0 377.279 2.842 20 0 GFADRO Cn1ncc(I)c1C[NH2+]C[C@]1(C)OCCc2ccccc21 ZINC000895637900 663522007 /nfs/dbraw/zinc/52/20/07/663522007.db2.gz ANMUSYYUWIHSBD-INIZCTEOSA-N 1 0 397.260 2.602 20 0 GFADRO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(C(=O)/C=C/C=C(Cl)Cl)CC1 ZINC000895827900 663529106 /nfs/dbraw/zinc/52/91/06/663529106.db2.gz DXKYBOYHZBFIDJ-FNORWQNLSA-N 1 0 390.355 2.804 20 0 GFADRO O=C(NCC/C=C\c1ccc(Br)cc1)NCC[NH+]1CCC(O)CC1 ZINC000895951962 663534754 /nfs/dbraw/zinc/53/47/54/663534754.db2.gz JOWXMLXEJODLLH-IWQZZHSRSA-N 1 0 396.329 2.608 20 0 GFADRO C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+][C@H]1CS(=O)(=O)C1(C)C ZINC000895982937 663536063 /nfs/dbraw/zinc/53/60/63/663536063.db2.gz VRYLBWLBSSPJGJ-MFKMUULPSA-N 1 0 378.416 2.588 20 0 GFADRO O=C(N[C@@H]1CCN(c2ccc(Br)cc2)C1)[C@@]12CC[N@H+](C1)CCC2 ZINC000896153266 663542855 /nfs/dbraw/zinc/54/28/55/663542855.db2.gz RMGBCSKXLLXWIL-QAPCUYQASA-N 1 0 378.314 2.630 20 0 GFADRO C[C@@H](NC(=O)CCCc1ccc(Br)cc1)[C@H]1C[N@H+](C)CCN1C ZINC000896530582 663560771 /nfs/dbraw/zinc/56/07/71/663560771.db2.gz UOGBSRSGOFLKOL-RHSMWYFYSA-N 1 0 382.346 2.522 20 0 GFADRO Cc1cc(C(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCN2C)cc(Cl)c1Br ZINC000896543385 663562508 /nfs/dbraw/zinc/56/25/08/663562508.db2.gz XFSJXAVDBWGFMN-FZMZJTMJSA-N 1 0 388.737 2.775 20 0 GFADRO C[C@H](NC(=O)Cc1csc(-c2ccc(Cl)s2)n1)[C@@H]1C[N@H+](C)CCN1C ZINC000896565995 663564012 /nfs/dbraw/zinc/56/40/12/663564012.db2.gz AWADBELKQLRPPV-AAEUAGOBSA-N 1 0 398.985 2.818 20 0 GFADRO C[C@H](NC(=O)CSCc1ccc(Cl)cc1Cl)[C@@H]1C[N@H+](C)CCN1C ZINC000896569286 663565099 /nfs/dbraw/zinc/56/50/99/663565099.db2.gz SROYLDHVWGWQGF-LRDDRELGSA-N 1 0 390.380 2.977 20 0 GFADRO O=C(NCCOc1ncc(C(F)(F)F)cc1Cl)[C@@]12CC[N@H+](C1)CCC2 ZINC000896646557 663569452 /nfs/dbraw/zinc/56/94/52/663569452.db2.gz UVECSRHLJPQYKM-HNNXBMFYSA-N 1 0 377.794 2.735 20 0 GFADRO COC(=O)c1ccc(C[NH2+]C[C@H]2CCN2C2CCOCC2)cc1Br ZINC000897228694 663596135 /nfs/dbraw/zinc/59/61/35/663596135.db2.gz MNLFVFSGYIKHGD-OAHLLOKOSA-N 1 0 397.313 2.579 20 0 GFADRO CC(=O)Nc1cc(Br)ccc1C[NH2+]C[C@H]1CCN1C1CCOCC1 ZINC000897227848 663596220 /nfs/dbraw/zinc/59/62/20/663596220.db2.gz IGKPNUMNRGMICF-QGZVFWFLSA-N 1 0 396.329 2.750 20 0 GFADRO C[N@@H+]1CC[C@@H](NC(=O)c2nn3c(c2Br)CCC3)[C@H]1c1ccccc1 ZINC000897241411 663596797 /nfs/dbraw/zinc/59/67/97/663596797.db2.gz YZXFLNIAKHXLMG-CXAGYDPISA-N 1 0 389.297 2.767 20 0 GFADRO O[C@@H]1CCOC2(CC[NH+](Cc3cnc4ccc(Br)cn34)CC2)C1 ZINC000897261244 663597190 /nfs/dbraw/zinc/59/71/90/663597190.db2.gz YMEYDZHMLFKPIF-OAHLLOKOSA-N 1 0 380.286 2.603 20 0 GFADRO O[C@@H]1CCOC2(CC[NH+](Cc3ccccc3I)CC2)C1 ZINC000897261539 663597257 /nfs/dbraw/zinc/59/72/57/663597257.db2.gz IHWKPDUSKJOIES-CQSZACIVSA-N 1 0 387.261 2.797 20 0 GFADRO C[N@@H+]1CCCC[C@H](CNC(=O)N2CCC[C@H]2c2ncc(Br)cn2)C1 ZINC000897561903 663611022 /nfs/dbraw/zinc/61/10/22/663611022.db2.gz KVXXSNCVKSUDMV-HIFRSBDPSA-N 1 0 396.333 2.818 20 0 GFADRO COC(=O)C[C@@H]([NH2+]Cc1ncc(I)s1)C(C)(C)C ZINC000897889643 663624136 /nfs/dbraw/zinc/62/41/36/663624136.db2.gz WNUWZCKTPDJEGC-MRVPVSSYSA-N 1 0 382.267 2.815 20 0 GFADRO COc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1Cc2cc(Br)cnc2NC1=O ZINC000897977335 663627803 /nfs/dbraw/zinc/62/78/03/663627803.db2.gz DDDYUOSFMHTOSG-JKSUJKDBSA-N 1 0 388.265 2.993 20 0 GFADRO CC(C)(C)[NH+]1CCC(N[C@@H]2Cc3cc(Br)cnc3NC2=O)CC1 ZINC000897977464 663628018 /nfs/dbraw/zinc/62/80/18/663628018.db2.gz HTUXAXBBMKKENN-CQSZACIVSA-N 1 0 381.318 2.560 20 0 GFADRO O=C1Nc2ncc(Br)cc2C[C@@H]1[NH2+][C@H]1CCOC2(CCCC2)C1 ZINC000897978525 663628734 /nfs/dbraw/zinc/62/87/34/663628734.db2.gz RBBSMJYWVSINTO-KBPBESRZSA-N 1 0 380.286 2.789 20 0 GFADRO C[C@H](C[NH2+]Cc1cc(C(F)(F)F)n(C)n1)c1ccc(S(C)(=O)=O)cc1 ZINC000898021225 663630430 /nfs/dbraw/zinc/63/04/30/663630430.db2.gz YUNUKJVMZFDWJY-LLVKDONJSA-N 1 0 375.416 2.736 20 0 GFADRO COc1nn(C)cc1C[NH2+][C@@H](C)CC(=O)Nc1cccc(Br)c1 ZINC000898029612 663630759 /nfs/dbraw/zinc/63/07/59/663630759.db2.gz XWAKBHKGGVYDRA-NSHDSACASA-N 1 0 381.274 2.698 20 0 GFADRO C[C@@H](Cc1ccc(F)cc1Br)[NH2+][C@@H]1CCN(c2cc(=O)[nH]cn2)C1 ZINC000898152668 663636063 /nfs/dbraw/zinc/63/60/63/663636063.db2.gz NBAPUPQLTDFXCO-SMDDNHRTSA-N 1 0 395.276 2.883 20 0 GFADRO O=c1cc(N2CC[C@@H]([NH2+]Cc3ccc(Cl)cc3Br)C2)nc[nH]1 ZINC000898154496 663636306 /nfs/dbraw/zinc/63/63/06/663636306.db2.gz FAHKQVDEYAXPFY-GFCCVEGCSA-N 1 0 383.677 2.967 20 0 GFADRO C[C@@H](C[NH2+][C@@H]1CCN(c2cc(=O)[nH]cn2)C1)c1cccc(Br)c1 ZINC000898156903 663636340 /nfs/dbraw/zinc/63/63/40/663636340.db2.gz ZYIRNMDAZOOVAU-SWLSCSKDSA-N 1 0 377.286 2.917 20 0 GFADRO COc1cc(C[NH2+]CC[C@H](O)C2CC2)cc(I)c1OC ZINC000898206026 663638177 /nfs/dbraw/zinc/63/81/77/663638177.db2.gz KBTSAZDRQQFLJN-ZDUSSCGKSA-N 1 0 391.249 2.559 20 0 GFADRO CC(C)c1nc([C@@H](CO)NC(=O)C2CC[NH+]([C@H]3CCSC3)CC2)cs1 ZINC000898378175 663645859 /nfs/dbraw/zinc/64/58/59/663645859.db2.gz USZPXYJOBVCMIM-LSDHHAIUSA-N 1 0 383.583 2.634 20 0 GFADRO COC(=O)/C=C/c1ccc(C[NH2+][C@@H]2CCc3ncc(Br)n3C2)o1 ZINC000898719078 663659902 /nfs/dbraw/zinc/65/99/02/663659902.db2.gz AOCHNGVJFXSAAC-OKPNEXGHSA-N 1 0 380.242 2.529 20 0 GFADRO COCCOCc1ccc(C[NH2+][C@@H]2CCc3ncc(Br)n3C2)cc1 ZINC000898719607 663660306 /nfs/dbraw/zinc/66/03/06/663660306.db2.gz GKNKZAUGXCGYFR-MRXNPFEDSA-N 1 0 394.313 2.913 20 0 GFADRO Brc1cnc2n1C[C@@H]([NH2+][C@H](c1nnc[nH]1)C1CCCCC1)CC2 ZINC000898720246 663660543 /nfs/dbraw/zinc/66/05/43/663660543.db2.gz KSWIFLBASWSZNJ-WFASDCNBSA-N 1 0 379.306 2.990 20 0 GFADRO COc1cc(F)cc(OC)c1C[NH2+][C@@H]1CCc2ncc(Br)n2C1 ZINC000898721477 663660559 /nfs/dbraw/zinc/66/05/59/663660559.db2.gz SKRFQZDVHRNZMQ-LLVKDONJSA-N 1 0 384.249 2.907 20 0 GFADRO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2CCc3ncc(Br)n3C2)C[C@@H]1C ZINC000898723892 663661043 /nfs/dbraw/zinc/66/10/43/663661043.db2.gz JFSOTMIIRRUISX-XDQVBPFNSA-N 1 0 384.318 2.918 20 0 GFADRO CC(C)(C)OC(=O)N1CCC([NH2+][C@H]2CCc3ncc(Br)n3C2)CC1 ZINC000898724548 663661235 /nfs/dbraw/zinc/66/12/35/663661235.db2.gz NHSZTIMAPMPMIH-ZDUSSCGKSA-N 1 0 399.333 2.950 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)c1cc2ncc(Br)cn2n1)c1ccsc1 ZINC000900136944 663708895 /nfs/dbraw/zinc/70/88/95/663708895.db2.gz SUQYEHKDFCJXQR-ZDUSSCGKSA-N 1 0 394.298 2.586 20 0 GFADRO C[NH+](C)C[C@H]1NC(=O)N(c2csc(-c3ccc(Br)cc3)n2)C1=O ZINC000900260574 663711053 /nfs/dbraw/zinc/71/10/53/663711053.db2.gz QYDLXLJZJMAFDZ-LLVKDONJSA-N 1 0 395.282 2.559 20 0 GFADRO C[NH+]1CCC(NCc2cn(C[C@@H](O)c3ccc(Cl)cc3Cl)nn2)CC1 ZINC000900582909 663717386 /nfs/dbraw/zinc/71/73/86/663717386.db2.gz POSOPJBOKDNVKV-QGZVFWFLSA-N 1 0 384.311 2.502 20 0 GFADRO CCc1onc(C)c1Cn1cc([C@@H]([NH3+])c2ccc(Br)cc2)nn1 ZINC000900590692 663717589 /nfs/dbraw/zinc/71/75/89/663717589.db2.gz BBDZNGVOMCZHSO-INIZCTEOSA-N 1 0 376.258 2.996 20 0 GFADRO C[NH+](C)C1(CNC(=O)Cc2c[nH]c3ccc(Br)cc23)CCOCC1 ZINC000900714500 663720093 /nfs/dbraw/zinc/72/00/93/663720093.db2.gz SRBKOZKZAWCCKW-UHFFFAOYSA-N 1 0 394.313 2.700 20 0 GFADRO CC(C)[NH+]1CCN(CCC(=O)NC[C@H](O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000900753843 663720882 /nfs/dbraw/zinc/72/08/82/663720882.db2.gz ABHHYHGVDKRXJF-KRWDZBQOSA-N 1 0 388.339 2.559 20 0 GFADRO CC(C)(Cc1ccc(Br)cc1)C(=O)NCCC[NH+]1CCC(O)CC1 ZINC000900756352 663720897 /nfs/dbraw/zinc/72/08/97/663720897.db2.gz UDCZVSBHCUJUOG-UHFFFAOYSA-N 1 0 397.357 2.981 20 0 GFADRO O=C([C@H](O)c1cccc(Br)c1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000900784850 663721532 /nfs/dbraw/zinc/72/15/32/663721532.db2.gz VVLGHXAXHLDHNE-IAGOWNOFSA-N 1 0 381.314 2.959 20 0 GFADRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)c2cc3ncc(Br)cn3n2)C1 ZINC000901150876 663731275 /nfs/dbraw/zinc/73/12/75/663731275.db2.gz DFFNZDYCTXDOBP-CYBMUJFWSA-N 1 0 394.317 2.590 20 0 GFADRO C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)NCCc1csc(-c2ccc(Cl)cc2)n1 ZINC000901232839 663732771 /nfs/dbraw/zinc/73/27/71/663732771.db2.gz IAVVVHRQJMKVTJ-CRAIPNDOSA-N 1 0 379.913 2.577 20 0 GFADRO CCOCCOc1ccc(Br)cc1NC(=O)C12CC[NH+](CC1)C2 ZINC000901358944 663734658 /nfs/dbraw/zinc/73/46/58/663734658.db2.gz DGHSZYYCRAVIEJ-UHFFFAOYSA-N 1 0 383.286 2.899 20 0 GFADRO CS(C)(=O)=NS(=O)(=O)Nc1ccc(SCC[NH+]2CCCCC2)cc1 ZINC000901680307 663741712 /nfs/dbraw/zinc/74/17/12/663741712.db2.gz YJAUNEUYUKELND-UHFFFAOYSA-N 1 0 391.584 2.649 20 0 GFADRO CC[NH+]1CCC(NC(=O)COc2c(F)cc(F)cc2Br)CC1 ZINC000902326119 663759658 /nfs/dbraw/zinc/75/96/58/663759658.db2.gz DJGUGDXSPSDUDD-UHFFFAOYSA-N 1 0 377.229 2.707 20 0 GFADRO COc1cc([C@@H](C)NC[C@@H]2CCCCC[NH2+]2)ccc1S(=O)(=O)C(F)F ZINC000902483036 663762009 /nfs/dbraw/zinc/76/20/09/663762009.db2.gz OQPRNRIXOFMZHO-OCCSQVGLSA-N 1 0 376.469 2.874 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCCN(S(=O)(=O)N(C)C)C1)c1ccc(C(F)(F)F)s1 ZINC000902988018 663770546 /nfs/dbraw/zinc/77/05/46/663770546.db2.gz NABXQYSESFRZLI-WDEREUQCSA-N 1 0 385.477 2.688 20 0 GFADRO CCOC(=O)C(F)(F)[C@H]1CC[C@H]([NH2+]CC2CCC(S(C)(=O)=O)CC2)C1 ZINC000903155429 663776295 /nfs/dbraw/zinc/77/62/95/663776295.db2.gz XJPZYCFHCTWPKE-GQKFXUNGSA-N 1 0 381.485 2.547 20 0 GFADRO Clc1ccc(C[NH2+][C@@H]2CCO[C@]23CCOC3)c(I)c1 ZINC000903161728 663776389 /nfs/dbraw/zinc/77/63/89/663776389.db2.gz WJQAYRNQTKZLGT-KGLIPLIRSA-N 1 0 393.652 2.982 20 0 GFADRO CN(C)S(=O)(=O)Cc1ccc(C[NH2+][C@@H]2CC[C@H]3SCCS[C@H]23)cc1 ZINC000903172950 663777054 /nfs/dbraw/zinc/77/70/54/663777054.db2.gz HBVGFVZEFWJCDC-BRWVUGGUSA-N 1 0 386.608 2.547 20 0 GFADRO Cc1cc(F)c(Br)cc1S(=O)(=O)N1CCC([NH+]2CCC2)CC1 ZINC000903204803 663778369 /nfs/dbraw/zinc/77/83/69/663778369.db2.gz YPFUAWSPROETML-UHFFFAOYSA-N 1 0 391.306 2.755 20 0 GFADRO C[C@H]([NH2+]C[C@H]1CCCC[C@H]1NS(C)(=O)=O)c1ccc(Br)cn1 ZINC000903234824 663780171 /nfs/dbraw/zinc/78/01/71/663780171.db2.gz PUYQUJDACGOEON-YWPYICTPSA-N 1 0 390.347 2.603 20 0 GFADRO C[C@H]([NH2+]C[C@H]1CCCC[C@@H]1NS(C)(=O)=O)c1cccc(Br)n1 ZINC000903234889 663780238 /nfs/dbraw/zinc/78/02/38/663780238.db2.gz QVSRPVKPAYJMDV-SCRDCRAPSA-N 1 0 390.347 2.603 20 0 GFADRO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NCc1ncc(Br)cn1 ZINC000903318457 663781314 /nfs/dbraw/zinc/78/13/14/663781314.db2.gz KVPDEMIOSDKJTE-BBRMVZONSA-N 1 0 376.302 2.634 20 0 GFADRO CO[C@@]1(C[NH2+][C@H](C)CCCOc2ccc(Cl)c(C)c2)CCS(=O)(=O)C1 ZINC000903364451 663782878 /nfs/dbraw/zinc/78/28/78/663782878.db2.gz WSUAWXDKCDKPMS-CRAIPNDOSA-N 1 0 389.945 2.989 20 0 GFADRO C[C@@H]([NH2+]Cc1cccc(N(C)S(C)(=O)=O)c1)c1ccc([S@@](C)=O)cc1 ZINC000903424093 663784368 /nfs/dbraw/zinc/78/43/68/663784368.db2.gz LYHUAMMHDRHJPS-JBEBIEQOSA-N 1 0 380.535 2.671 20 0 GFADRO C[C@H]1C[C@@H]([NH2+]CCCn2ccc(=O)[nH]c2=O)c2cccc(Br)c21 ZINC000903432012 663784582 /nfs/dbraw/zinc/78/45/82/663784582.db2.gz FHIRDUKHGMFCSS-SMDDNHRTSA-N 1 0 378.270 2.940 20 0 GFADRO C[C@@H]([NH2+][C@H]1CCN(c2cn[nH]c(=O)c2Cl)C1)c1cncc(Br)c1 ZINC000903435860 663784681 /nfs/dbraw/zinc/78/46/81/663784681.db2.gz SRWWEGHBORLFFC-SKDRFNHKSA-N 1 0 398.692 2.923 20 0 GFADRO COC(=O)C1CC2(C1)C[C@@H]([NH2+][C@H](C)c1ccccc1Cl)CCS2(=O)=O ZINC000903452816 663785088 /nfs/dbraw/zinc/78/50/88/663785088.db2.gz QWRARZNXUMNVLD-VUULHSHRSA-N 1 0 385.913 2.890 20 0 GFADRO Cn1cc(C[C@@H]2CCC[C@@H]2[NH2+][C@@H]2CCc3ncc(Br)n3C2)cn1 ZINC000903479635 663785381 /nfs/dbraw/zinc/78/53/81/663785381.db2.gz MFMYCIYPSWTDHM-ZNMIVQPWSA-N 1 0 378.318 2.695 20 0 GFADRO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCCN2S(=O)(=O)c2cc3ccccc3s2)C1 ZINC000903507688 663785968 /nfs/dbraw/zinc/78/59/68/663785968.db2.gz IMDDFCLDUSEZFS-OWCLPIDISA-N 1 0 380.535 2.951 20 0 GFADRO CC[C@H]1CN(S(=O)(=O)Cc2cccc(Cl)c2Br)CC[C@@H]1[NH3+] ZINC000903518198 663786775 /nfs/dbraw/zinc/78/67/75/663786775.db2.gz QDEQMUKDHSUWNG-GWCFXTLKSA-N 1 0 395.750 2.992 20 0 GFADRO C[C@@H]1C[C@H]([NH3+])CCN1S(=O)(=O)Cc1cccc(Cl)c1Br ZINC000903522096 663787114 /nfs/dbraw/zinc/78/71/14/663787114.db2.gz KRTPFPUNSFYRCJ-MWLCHTKSSA-N 1 0 381.723 2.744 20 0 GFADRO CC1(C)C[NH2+]CC[C@@H](NS(=O)(=O)Cc2cccc(F)c2Br)C1 ZINC000903525791 663787325 /nfs/dbraw/zinc/78/73/25/663787325.db2.gz QKFKELKTLSCIBW-GFCCVEGCSA-N 1 0 393.322 2.786 20 0 GFADRO O=S(=O)(Cc1c(Cl)cccc1Cl)N1CC[NH2+]CCC12CCOCC2 ZINC000903547662 663788237 /nfs/dbraw/zinc/78/82/37/663788237.db2.gz OPHRPHPWGNJKBD-UHFFFAOYSA-N 1 0 393.336 2.668 20 0 GFADRO [NH3+]CC1([C@@H]2CCCCN2S(=O)(=O)c2occc2Br)CCC1 ZINC000903547488 663788245 /nfs/dbraw/zinc/78/82/45/663788245.db2.gz SMYGUVTYDFZDCI-LBPRGKRZSA-N 1 0 377.304 2.714 20 0 GFADRO Cc1csc(C)c1S(=O)(=O)N[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000903572126 663789271 /nfs/dbraw/zinc/78/92/71/663789271.db2.gz WDRSBVLDRIWYDZ-YJBOKZPZSA-N 1 0 378.519 2.899 20 0 GFADRO [NH3+][C@H]1CN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC[C@@H]1C(F)(F)F ZINC000903577012 663789772 /nfs/dbraw/zinc/78/97/72/663789772.db2.gz CJLAENFWEAVCOF-WPRPVWTQSA-N 1 0 377.215 2.894 20 0 GFADRO [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(S(=O)(=O)c1ccc(Cl)cc1Br)C2 ZINC000903578879 663789931 /nfs/dbraw/zinc/78/99/31/663789931.db2.gz GGFYSHTVQNPSFN-GDPRMGEGSA-N 1 0 379.707 2.603 20 0 GFADRO Brc1ccc([C@@H]2CN(C[C@H]3CC4(CO3)CC[NH2+]CC4)CCO2)cc1 ZINC000903727907 663805283 /nfs/dbraw/zinc/80/52/83/663805283.db2.gz ZDJZUQDTEMHOIL-MSOLQXFVSA-N 1 0 395.341 2.981 20 0 GFADRO Cc1ccc(NC(=O)CN2CC[NH2+]CCC23CCOCC3)c(Br)c1 ZINC000903816231 663807546 /nfs/dbraw/zinc/80/75/46/663807546.db2.gz WSCZJGOGUJIHDI-UHFFFAOYSA-N 1 0 396.329 2.541 20 0 GFADRO Brc1ccc2c(c1)CCN(Cc1cnnn1[C@H]1CCC[NH2+]C1)C2 ZINC000903910537 663811121 /nfs/dbraw/zinc/81/11/21/663811121.db2.gz NGWGYJPSTCQJAR-INIZCTEOSA-N 1 0 376.302 2.523 20 0 GFADRO Cc1cc(Br)cc2c1CN(Cc1cnnn1[C@@H]1CCC[NH2+]C1)CC2 ZINC000903915098 663811445 /nfs/dbraw/zinc/81/14/45/663811445.db2.gz MPGVFFCGCWJADD-MRXNPFEDSA-N 1 0 390.329 2.832 20 0 GFADRO Fc1cc(Br)cc2c1CN(Cc1cnnn1[C@H]1CCC[NH2+]C1)CC2 ZINC000903916198 663811457 /nfs/dbraw/zinc/81/14/57/663811457.db2.gz RLMZZKOAJDHYHI-AWEZNQCLSA-N 1 0 394.292 2.663 20 0 GFADRO Cc1c(C[C@H](C[NH3+])CN2Cc3ccc(C)c(Br)c3C2)cnn1C ZINC000903932516 663812571 /nfs/dbraw/zinc/81/25/71/663812571.db2.gz DCKWKUYTYZOSKF-CQSZACIVSA-N 1 0 377.330 2.933 20 0 GFADRO [NH3+]Cc1nc2c(s1)CCN(Cc1cc3c(cc1Br)OCO3)C2 ZINC000903941303 663813036 /nfs/dbraw/zinc/81/30/36/663813036.db2.gz XWRBBWLBGKZRDK-UHFFFAOYSA-N 1 0 382.283 2.651 20 0 GFADRO CCOc1cc(-c2noc([C@@H]3[C@@H]4CC[NH2+]C[C@@H]43)n2)cc(Br)c1O ZINC000904108462 663824849 /nfs/dbraw/zinc/82/48/49/663824849.db2.gz UZNPJZHGFVKBKY-GBIKHYSHSA-N 1 0 380.242 2.926 20 0 GFADRO CCOc1cc(Br)ccc1NC(=O)N(C)C1(C[NH3+])CCOCC1 ZINC000904380972 663831943 /nfs/dbraw/zinc/83/19/43/663831943.db2.gz QZFWEJVORXPGSA-UHFFFAOYSA-N 1 0 386.290 2.819 20 0 GFADRO Fc1cc2c(cc1Br)CCN(Cc1cnnn1[C@@H]1CCC[NH2+]C1)C2 ZINC000904428106 663833661 /nfs/dbraw/zinc/83/36/61/663833661.db2.gz DIQBLEPAEOBTSD-CQSZACIVSA-N 1 0 394.292 2.663 20 0 GFADRO COCC[C@@H]1C[NH2+]CCN1C(=O)Nc1cccc(Cl)c1Br ZINC000904444268 663834728 /nfs/dbraw/zinc/83/47/28/663834728.db2.gz PHNIVFFGQKEXHH-SNVBAGLBSA-N 1 0 376.682 2.945 20 0 GFADRO CN(C(=O)Nc1cccc(Cl)c1OCC(F)F)C1(C[NH3+])CCOCC1 ZINC000904484877 663836023 /nfs/dbraw/zinc/83/60/23/663836023.db2.gz PLVHVGDKCDTHNN-UHFFFAOYSA-N 1 0 377.819 2.956 20 0 GFADRO COC[C@@H]1C[NH2+]CCN1C(=O)Nc1cc(Cl)c(Br)cc1C ZINC000904522922 663836631 /nfs/dbraw/zinc/83/66/31/663836631.db2.gz ZURUTSWCFKSGEU-JTQLQIEISA-N 1 0 376.682 2.863 20 0 GFADRO COCCOc1ccc(NC(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1Br ZINC000904550224 663837762 /nfs/dbraw/zinc/83/77/62/663837762.db2.gz DCXJEEHUQFUKAB-DOMZBBRYSA-N 1 0 398.301 2.690 20 0 GFADRO Brc1cc(Cc2noc(C34CCC(CC3)[NH2+]4)n2)cc2c1OCCO2 ZINC000904667462 663839789 /nfs/dbraw/zinc/83/97/89/663839789.db2.gz XKVBBWSBCKBSBU-UHFFFAOYSA-N 1 0 392.253 2.935 20 0 GFADRO C[C@@H](c1noc([C@@H]2CCCN(CC[NH3+])C2=O)n1)c1ccc(Br)cc1 ZINC000904679254 663840378 /nfs/dbraw/zinc/84/03/78/663840378.db2.gz ZRMGWTMYXNPNNT-RISCZKNCSA-N 1 0 393.285 2.649 20 0 GFADRO N[C@@H](c1nc([C@@H]2CCCOC2)no1)c1ccccc1I ZINC000904695317 663841211 /nfs/dbraw/zinc/84/12/11/663841211.db2.gz NOZIMZGBTWUADR-BXKDBHETSA-N 1 0 385.205 2.616 20 0 GFADRO C[C@@H]([NH3+])C1(c2nc(Cc3cc(F)cc(Br)c3)no2)CCOCC1 ZINC000904712552 663841847 /nfs/dbraw/zinc/84/18/47/663841847.db2.gz MAWBNTBEADOQSB-SNVBAGLBSA-N 1 0 384.249 2.957 20 0 GFADRO CC(C)[N@@H+]1CCC[C@@H]1C(=O)Nc1ccnn1-c1ccc(Br)cn1 ZINC000904959994 663848394 /nfs/dbraw/zinc/84/83/94/663848394.db2.gz GKZGDYCNIGYMFT-CYBMUJFWSA-N 1 0 378.274 2.841 20 0 GFADRO O[C@@H](CCC1(O)CCC1)C[NH2+]C[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000905067857 663851249 /nfs/dbraw/zinc/85/12/49/663851249.db2.gz IQZVUYJKUFUQPH-YJBOKZPZSA-N 1 0 397.357 2.921 20 0 GFADRO Cc1sc(C[NH2+]C[C@@H](O)C[C@@]2(O)CCOC2)nc1-c1ccc(Cl)cc1 ZINC000905067635 663851250 /nfs/dbraw/zinc/85/12/50/663851250.db2.gz GPYAZXXMMOFIOB-YJBOKZPZSA-N 1 0 382.913 2.764 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CC[NH2+]C[C@@H](O)CCC1(O)CCC1 ZINC000905090828 663852173 /nfs/dbraw/zinc/85/21/73/663852173.db2.gz VAEGFHHFCSOGCA-HNNXBMFYSA-N 1 0 399.329 2.732 20 0 GFADRO O[C@@H](CCC1(O)CCC1)C[NH2+][C@@H]1CCN(c2ccccc2Br)C1 ZINC000905102773 663853381 /nfs/dbraw/zinc/85/33/81/663853381.db2.gz GUXZGOFLKJNYRI-CABCVRRESA-N 1 0 383.330 2.674 20 0 GFADRO OCC1(C[C@H](O)C[NH2+][C@H]2COc3cc(F)c(Br)cc32)CCCC1 ZINC000905247342 663862441 /nfs/dbraw/zinc/86/24/41/663862441.db2.gz OKSUFMYQVMRSMN-NHYWBVRUSA-N 1 0 388.277 2.915 20 0 GFADRO Cc1nc2c(n1CCO)CC[C@H]([NH2+]C[C@H](O)c1ccc(Cl)c(Cl)c1)C2 ZINC000905372338 663868318 /nfs/dbraw/zinc/86/83/18/663868318.db2.gz JXBFGXREQGPXBX-UGSOOPFHSA-N 1 0 384.307 2.671 20 0 GFADRO COC(=O)c1cc(C[NH2+]C[C@@H](O)c2ccc(Br)cc2)n(C)c1C ZINC000905441173 663871369 /nfs/dbraw/zinc/87/13/69/663871369.db2.gz SHAFUFFALUBOMZ-MRXNPFEDSA-N 1 0 381.270 2.706 20 0 GFADRO O[C@H](C[NH2+]Cc1cc(Br)c2ccccc2c1)C1(O)CCOCC1 ZINC000905517654 663875362 /nfs/dbraw/zinc/87/53/62/663875362.db2.gz SROLNAKMERAVSQ-QGZVFWFLSA-N 1 0 380.282 2.594 20 0 GFADRO O=S1(=O)CCC(O)(C[NH2+]Cc2cc(Br)c3ccccc3c2)CC1 ZINC000905518095 663875708 /nfs/dbraw/zinc/87/57/08/663875708.db2.gz WFHDNVGDJDTOCJ-UHFFFAOYSA-N 1 0 398.322 2.632 20 0 GFADRO Cn1nnc2c1C[C@H]([NH2+]C[C@@](C)(O)c1ccc(Br)cc1Cl)CC2 ZINC000905631815 663882720 /nfs/dbraw/zinc/88/27/20/663882720.db2.gz BLPWFKBUDPNFTR-BDJLRTHQSA-N 1 0 399.720 2.586 20 0 GFADRO Cn1nnc(Br)c1COC(=O)c1ccc(C[NH+]2CCCCC2)o1 ZINC000905798501 663892942 /nfs/dbraw/zinc/89/29/42/663892942.db2.gz VBFFLVFXQSJXAK-UHFFFAOYSA-N 1 0 383.246 2.514 20 0 GFADRO C[N@H+](Cc1cn(C[C@H](O)COc2cccc(Br)c2)nn1)C(C)(C)C ZINC000905812140 663893348 /nfs/dbraw/zinc/89/33/48/663893348.db2.gz BRQBQVUCWAPXNZ-HNNXBMFYSA-N 1 0 397.317 2.711 20 0 GFADRO [NH3+]C1CCN(Cc2cn(Cc3cc(Cl)cc(Br)c3)nn2)CC1 ZINC000905806762 663893366 /nfs/dbraw/zinc/89/33/66/663893366.db2.gz DUHHHKDAURMRJV-UHFFFAOYSA-N 1 0 384.709 2.665 20 0 GFADRO C[C@@H]([NH2+][C@H]1CCOc2ccc(Br)cc21)C(=O)NCC(F)(F)F ZINC000905852944 663896843 /nfs/dbraw/zinc/89/68/43/663896843.db2.gz OYBHBEHUDRITGT-KCJUWKMLSA-N 1 0 381.192 2.929 20 0 GFADRO C[C@@H](CNC(=O)c1nscc1I)[N@@H+]1CCCC[C@@H]1C ZINC000906150594 663929476 /nfs/dbraw/zinc/92/94/76/663929476.db2.gz NUOQCLYBKASBFK-UWVGGRQHSA-N 1 0 393.294 2.740 20 0 GFADRO O=C(Cc1cc(Br)ccc1Cl)NCCCC[NH+]1CCOCC1 ZINC000906216103 663932410 /nfs/dbraw/zinc/93/24/10/663932410.db2.gz YTUSKODIGNRBHS-UHFFFAOYSA-N 1 0 389.721 2.874 20 0 GFADRO O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cnnn1-c1cc(Cl)ccc1Cl ZINC000906239027 663933536 /nfs/dbraw/zinc/93/35/36/663933536.db2.gz IEZKURADAHJPDB-QWHCGFSZSA-N 1 0 380.279 2.931 20 0 GFADRO C[NH+]1CCC(OCC(=O)N=[S@@](C)(=O)c2cccc(Br)c2)CC1 ZINC000906350185 663940222 /nfs/dbraw/zinc/94/02/22/663940222.db2.gz VHFIJEVVUTWXLH-QFIPXVFZSA-N 1 0 389.315 2.543 20 0 GFADRO C[C@@H](CNC(=O)c1cc(Br)cn(C2CC2)c1=O)[NH+]1CCCCC1 ZINC000906353744 663940824 /nfs/dbraw/zinc/94/08/24/663940824.db2.gz YIFXOGPSHIZVTQ-LBPRGKRZSA-N 1 0 382.302 2.550 20 0 GFADRO O=C(N[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(Cn2cc(Br)cn2)s1 ZINC000906413340 663946198 /nfs/dbraw/zinc/94/61/98/663946198.db2.gz YKKWSLAYHCILCR-LBPRGKRZSA-N 1 0 395.326 2.722 20 0 GFADRO CC(C)([NH3+])c1ccc(NC(=O)C(=O)NCc2cc(Br)cs2)cc1 ZINC000906646527 663962612 /nfs/dbraw/zinc/96/26/12/663962612.db2.gz QWDFILSYVMVELL-UHFFFAOYSA-N 1 0 396.310 2.959 20 0 GFADRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)c1nscc1I ZINC000906686748 663965030 /nfs/dbraw/zinc/96/50/30/663965030.db2.gz TWNVJKAIEWRGCP-JTQLQIEISA-N 1 0 393.294 2.742 20 0 GFADRO O=C(Nc1cc(Br)c2ccccc2c1)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000906728589 663967413 /nfs/dbraw/zinc/96/74/13/663967413.db2.gz LKEAEWVJAJXQNY-IUIKQTSFSA-N 1 0 388.265 2.550 20 0 GFADRO [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(=O)Nc1cc(Cl)cc(C(F)(F)F)c1)C2 ZINC000906753254 663968691 /nfs/dbraw/zinc/96/86/91/663968691.db2.gz RGCRJMXLEMUOIY-KDDOJWQBSA-N 1 0 375.778 2.636 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(Br)cn(C3CC3)c2=O)[C@@H](C)C1 ZINC000906793727 663971569 /nfs/dbraw/zinc/97/15/69/663971569.db2.gz REDJOYHTPQLMLX-BLLLJJGKSA-N 1 0 396.329 2.748 20 0 GFADRO C[C@@H]1C[C@H](N(C)C(=O)c2cnnn2-c2ccccc2Br)CC[N@@H+]1C ZINC000906793775 663971646 /nfs/dbraw/zinc/97/16/46/663971646.db2.gz SFMBZFNJOCIHMD-CHWSQXEVSA-N 1 0 392.301 2.585 20 0 GFADRO C[NH+](C)C1CCN(S(=O)(=O)c2c[nH]c3cc(Br)ccc32)CC1 ZINC000906832780 663974600 /nfs/dbraw/zinc/97/46/00/663974600.db2.gz CETBYMVPKADABV-UHFFFAOYSA-N 1 0 386.315 2.645 20 0 GFADRO C[N@H+](CC1CC1)C[C@H]1CCN(S(=O)(=O)c2c[nH]c3ncc(Cl)cc23)C1 ZINC000907015104 663992920 /nfs/dbraw/zinc/99/29/20/663992920.db2.gz YPKDMYLZICSHFT-CYBMUJFWSA-N 1 0 382.917 2.569 20 0 GFADRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(F)(F)c2ncccc2Br)C1 ZINC000907065095 663998924 /nfs/dbraw/zinc/99/89/24/663998924.db2.gz NENRRHIMAXHZDI-WCQYABFASA-N 1 0 388.256 2.879 20 0 GFADRO CC(C)n1cc(Br)c(C(=O)N2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)n1 ZINC000907091309 664001301 /nfs/dbraw/zinc/00/13/01/664001301.db2.gz QUCSYFNZVXCAKQ-VHDGCEQUSA-N 1 0 399.333 2.550 20 0 GFADRO Cc1cc(S(=O)(=O)NC2CC[NH+](C3CCOCC3)CC2)sc1Cl ZINC000907327575 664023590 /nfs/dbraw/zinc/02/35/90/664023590.db2.gz GXNHYJKLZHEMBP-UHFFFAOYSA-N 1 0 378.947 2.632 20 0 GFADRO Cc1ccc(C[N@H+]2CC[C@H](CN(C)S(=O)(=O)[C@@H]3CCO[C@@H](C)C3)C2)s1 ZINC000907346485 664026229 /nfs/dbraw/zinc/02/62/29/664026229.db2.gz NPSOESURYZJSKJ-YXJHDRRASA-N 1 0 386.583 2.708 20 0 GFADRO Cc1ccc(C[N@H+]2CC[C@H](CN(C)S(=O)(=O)[C@@H]3CCO[C@H](C)C3)C2)s1 ZINC000907346484 664026502 /nfs/dbraw/zinc/02/65/02/664026502.db2.gz NPSOESURYZJSKJ-QGPMSJSTSA-N 1 0 386.583 2.708 20 0 GFADRO CN1CC[NH+](CC2(C)CCN(C(=O)c3ccnc(Cl)c3Cl)CC2)CC1 ZINC000907356132 664028136 /nfs/dbraw/zinc/02/81/36/664028136.db2.gz WYKKNTNMSXUWFK-UHFFFAOYSA-N 1 0 385.339 2.878 20 0 GFADRO CN(CC1([NH+](C)C)CCC1)C(=O)C(F)(F)c1ncccc1Br ZINC000907615056 664048489 /nfs/dbraw/zinc/04/84/89/664048489.db2.gz VJLGPGKLMUYQSP-UHFFFAOYSA-N 1 0 376.245 2.879 20 0 GFADRO C[NH+](C)CCn1nccc1C(=O)NCC[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC000907743212 664057659 /nfs/dbraw/zinc/05/76/59/664057659.db2.gz JHZNHKHGONATFS-MRXNPFEDSA-N 1 0 385.295 2.605 20 0 GFADRO C[NH+](C)[C@H]1CCCN(C(=O)C(F)(F)c2ncccc2Br)CC1 ZINC000907745300 664058014 /nfs/dbraw/zinc/05/80/14/664058014.db2.gz YBIROOJKFYFZJS-NSHDSACASA-N 1 0 376.245 2.879 20 0 GFADRO COc1cc(Cl)c(S(=O)(=O)N2CCC23CC[NH+](C)CC3)cc1Cl ZINC000907852708 664065477 /nfs/dbraw/zinc/06/54/77/664065477.db2.gz CKLVOIJJKRMODO-UHFFFAOYSA-N 1 0 379.309 2.861 20 0 GFADRO C[NH+]1CCC2(CCN2S(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)CC1 ZINC000907853926 664065731 /nfs/dbraw/zinc/06/57/31/664065731.db2.gz OKJBUZLXUUVDEB-UHFFFAOYSA-N 1 0 380.844 2.800 20 0 GFADRO C[NH+]1CCC2(CCN2S(=O)(=O)c2cccc(Cl)c2Br)CC1 ZINC000907856337 664066135 /nfs/dbraw/zinc/06/61/35/664066135.db2.gz SWAZBAIFWYVNNJ-UHFFFAOYSA-N 1 0 393.734 2.961 20 0 GFADRO CC(C)[NH+]1CCN(CCCC(=O)NCc2ccsc2Br)CC1 ZINC000908033256 664078448 /nfs/dbraw/zinc/07/84/48/664078448.db2.gz BLMLWWCKDRUESA-UHFFFAOYSA-N 1 0 388.375 2.933 20 0 GFADRO Cc1cc(Br)c(CC(=O)N2C[C@@H](N3CCOCC3)C[C@H]2C)s1 ZINC000908147563 664087847 /nfs/dbraw/zinc/08/78/47/664087847.db2.gz XZPMGFSPNXTSDU-YPMHNXCESA-N 1 0 387.343 2.683 20 0 GFADRO CCCC[N@H+](C)C[C@H](C)NC(=O)c1cc(Br)cn(C2CC2)c1=O ZINC000908251004 664094412 /nfs/dbraw/zinc/09/44/12/664094412.db2.gz SZMDFQPOMNBMIR-LBPRGKRZSA-N 1 0 384.318 2.796 20 0 GFADRO CC(C)[NH2+]C1(CO)CCN(C(=O)c2cc(F)c(Br)cc2F)CC1 ZINC000908612455 664117789 /nfs/dbraw/zinc/11/77/89/664117789.db2.gz LSRGRWLTAIWPOA-UHFFFAOYSA-N 1 0 391.256 2.692 20 0 GFADRO C[C@H](NC(=O)C[C@]1(O)CCC[N@H+](C)C1)c1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC000908875880 664133393 /nfs/dbraw/zinc/13/33/93/664133393.db2.gz KUHHEZZAIXNMOF-DYZYQPBXSA-N 1 0 385.295 2.894 20 0 GFADRO C[C@H](NC(=O)C(=O)NCC[C@@H]1C[NH2+]C[C@H]1C)c1cc(F)c(Cl)cc1Cl ZINC000910962277 664232023 /nfs/dbraw/zinc/23/20/23/664232023.db2.gz IUMCZXWUINZZFO-OUAUKWLOSA-N 1 0 390.286 2.672 20 0 GFADRO CC(C)[N@H+](C)CC(=O)N1CCc2[nH]cnc2[C@@H]1c1ccc(Br)cc1 ZINC000911251618 664240136 /nfs/dbraw/zinc/24/01/36/664240136.db2.gz CZKNFJCASGPOFQ-SFHVURJKSA-N 1 0 391.313 2.987 20 0 GFADRO C[N@@H+]1CC[C@H](C(=O)N2CCc3[nH]cnc3[C@H]2c2ccc(Br)cc2)C1 ZINC000911253688 664240849 /nfs/dbraw/zinc/24/08/49/664240849.db2.gz HVZMIPMTDPNSIB-SUMWQHHRSA-N 1 0 389.297 2.598 20 0 GFADRO [NH3+]C[C@@H]1CCCCN1C(=O)c1ccc(Cn2cc(Br)cn2)s1 ZINC000911723162 664254276 /nfs/dbraw/zinc/25/42/76/664254276.db2.gz ZLJSBJASKSNPFR-LBPRGKRZSA-N 1 0 383.315 2.709 20 0 GFADRO CN(C(=O)c1c(Cl)ccc(I)c1F)[C@@H]1CC[NH2+]C1 ZINC000911783020 664256610 /nfs/dbraw/zinc/25/66/10/664256610.db2.gz OKXKPDHIRCFHCV-SSDOTTSWSA-N 1 0 382.604 2.518 20 0 GFADRO C[C@](C[NH3+])(NC(=O)c1ccc(Cn2cc(Br)cn2)s1)C1CC1 ZINC000911801658 664256747 /nfs/dbraw/zinc/25/67/47/664256747.db2.gz FNCKVXIXTUEIGD-OAHLLOKOSA-N 1 0 383.315 2.613 20 0 GFADRO [NH3+]C[C@@H](NC(=O)c1cc(Br)cn(C2CC2)c1=O)C1CCCCC1 ZINC000911817400 664256983 /nfs/dbraw/zinc/25/69/83/664256983.db2.gz CKLDENQWYBSVSW-OAHLLOKOSA-N 1 0 382.302 2.583 20 0 GFADRO CC[NH2+]CC1CCN(C(=O)c2cc3cc(Br)cnc3n2C)CC1 ZINC000911864575 664259590 /nfs/dbraw/zinc/25/95/90/664259590.db2.gz RVKUKLCAGBJLOW-UHFFFAOYSA-N 1 0 379.302 2.798 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CN(C(=O)c2cc(Br)c(C(F)(F)F)cc2F)CCO1 ZINC000911885041 664260805 /nfs/dbraw/zinc/26/08/05/664260805.db2.gz SVVGEWJAGQRVTQ-MADCSZMMSA-N 1 0 399.182 2.795 20 0 GFADRO [NH3+][C@@H]1CCCn2nc(C(=O)Nc3ccc(I)cc3)cc21 ZINC000911925592 664262248 /nfs/dbraw/zinc/26/22/48/664262248.db2.gz BAJXSKIJIREDOI-LLVKDONJSA-N 1 0 382.205 2.534 20 0 GFADRO C[NH+]1CCC(N(CCO)C(=O)[C@H]2C[C@]2(C)c2cccc(Br)c2)CC1 ZINC000911933756 664262495 /nfs/dbraw/zinc/26/24/95/664262495.db2.gz PMAPBWKOXZBEIH-IEBWSBKVSA-N 1 0 395.341 2.642 20 0 GFADRO C[NH+]1CCC(N(CCO)C(=O)c2csc(-c3ccccc3Cl)n2)CC1 ZINC000911937338 664262546 /nfs/dbraw/zinc/26/25/46/664262546.db2.gz TWNOSLGXJUMZSX-UHFFFAOYSA-N 1 0 379.913 2.992 20 0 GFADRO C[C@@H](Cc1ccc(Br)cc1)C(=O)N(CCO)C1CC[NH+](C)CC1 ZINC000911941042 664262830 /nfs/dbraw/zinc/26/28/30/664262830.db2.gz AMRNKYMRZWZEHV-AWEZNQCLSA-N 1 0 383.330 2.543 20 0 GFADRO [NH3+]CCN1CCC[C@H](C(=O)Nc2nc(-c3ccccc3Cl)cs2)C1=O ZINC000911965021 664263831 /nfs/dbraw/zinc/26/38/31/664263831.db2.gz VOHZTYPBQGGTPX-GFCCVEGCSA-N 1 0 378.885 2.599 20 0 GFADRO CCN(CC)S(=O)(=O)c1cc(NC(=O)C[C@@H]2C[NH2+]C[C@H]2C)ccc1Cl ZINC000911991970 664265021 /nfs/dbraw/zinc/26/50/21/664265021.db2.gz JLSDQRZTSLHVMI-CHWSQXEVSA-N 1 0 387.933 2.555 20 0 GFADRO Cc1sc(NC(=O)[C@@]2(C)C[C@H](O)C[NH2+]2)nc1-c1ccc(Br)cc1 ZINC000912002066 664265550 /nfs/dbraw/zinc/26/55/50/664265550.db2.gz KENOSOAUEXPODI-BLLLJJGKSA-N 1 0 396.310 2.932 20 0 GFADRO CC(C)[C@H]([NH3+])C(=O)NCCC(=O)N1CCC[C@H]1c1cccc(Br)c1 ZINC000912465029 664288641 /nfs/dbraw/zinc/28/86/41/664288641.db2.gz YZHAFQVNXSGVMW-RDJZCZTQSA-N 1 0 396.329 2.602 20 0 GFADRO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)c1cc(Br)cn(C2CC2)c1=O ZINC000912523912 664292085 /nfs/dbraw/zinc/29/20/85/664292085.db2.gz RSQMKWXOVFGKOG-CYBMUJFWSA-N 1 0 396.329 2.796 20 0 GFADRO Cc1onc(-c2cccc(Cl)c2Cl)c1C(=O)N(C)CC[N@H+](C)CCO ZINC000912604989 664294739 /nfs/dbraw/zinc/29/47/39/664294739.db2.gz ZCVLNKHQJHLNEG-UHFFFAOYSA-N 1 0 386.279 2.953 20 0 GFADRO Cn1ccnc1[C@@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)c1ccc(Br)cc1 ZINC000912678662 664297000 /nfs/dbraw/zinc/29/70/00/664297000.db2.gz LULHHWZIXYYKOQ-GUYCJALGSA-N 1 0 391.313 2.730 20 0 GFADRO O=C(NC[C@H]1CCC[N@H+](CC2CC2)C1)c1cccn2ncc(Br)c12 ZINC000912764734 664300846 /nfs/dbraw/zinc/30/08/46/664300846.db2.gz IVSQFOYCKKEWOP-CQSZACIVSA-N 1 0 391.313 2.949 20 0 GFADRO C[C@@H](C[NH+](C)C)[C@H]1CCCCN1C(=O)Cc1cc[nH]c(=O)c1Br ZINC000912808037 664303122 /nfs/dbraw/zinc/30/31/22/664303122.db2.gz SWCKZPORGZGDDZ-GXTWGEPZSA-N 1 0 384.318 2.671 20 0 GFADRO O=C(c1ncc(Br)cc1Br)N1CC[C@H]([NH+]2CCC2)C1 ZINC000912910714 664309535 /nfs/dbraw/zinc/30/95/35/664309535.db2.gz QLVZPELWKFPMIG-JTQLQIEISA-N 1 0 389.091 2.527 20 0 GFADRO O=C(c1nn(-c2ccc(F)cc2)cc1Br)N1CC[C@H]([NH+]2CCC2)C1 ZINC000912915668 664309742 /nfs/dbraw/zinc/30/97/42/664309742.db2.gz IGRDNMMODJIIQZ-AWEZNQCLSA-N 1 0 393.260 2.694 20 0 GFADRO COc1ccc(Br)c2[nH]c(C(=O)N3CC[C@@H]([NH+]4CCC4)C3)cc21 ZINC000912921516 664310228 /nfs/dbraw/zinc/31/02/28/664310228.db2.gz FDHHDXZUOJPGGF-LLVKDONJSA-N 1 0 378.270 2.859 20 0 GFADRO C[C@@H](NC(=O)C[C@@]1(O)CCC[N@H+](C)C1)c1cc(F)c(Br)cc1F ZINC000912992711 664315794 /nfs/dbraw/zinc/31/57/94/664315794.db2.gz LDUIQBFHTNQADR-HWPZZCPQSA-N 1 0 391.256 2.751 20 0 GFADRO O=C(NC[C@H]1CC[N@@H+]1C1CCCC1)c1cc(Br)cn(C2CC2)c1=O ZINC000913159219 664326765 /nfs/dbraw/zinc/32/67/65/664326765.db2.gz LEZXFBFIKBLYCU-OAHLLOKOSA-N 1 0 394.313 2.692 20 0 GFADRO COc1cc(C(=O)N2C[C@]3(C)C[NH+](C)C[C@@]3(C)C2)cc(OC)c1Br ZINC000913293355 664331395 /nfs/dbraw/zinc/33/13/95/664331395.db2.gz MVYNLUPBNPQYKH-ROUUACIJSA-N 1 0 397.313 2.880 20 0 GFADRO C[NH+](C)C1(C)CCN(C(=O)c2cc(Br)cn(C3CC3)c2=O)CC1 ZINC000913387454 664334314 /nfs/dbraw/zinc/33/43/14/664334314.db2.gz QXRFCBDGBMTBDT-UHFFFAOYSA-N 1 0 382.302 2.502 20 0 GFADRO C[NH+](C)C1(C)CCN(C(=O)CCCS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000913390021 664334712 /nfs/dbraw/zinc/33/47/12/664334712.db2.gz JFFALJFQRSRRMR-UHFFFAOYSA-N 1 0 386.945 2.837 20 0 GFADRO CN1C[C@H]2CC[C@@H](C1)N2C(=O)C1CCN(C(=O)c2ccc(Cl)s2)CC1 ZINC000913537964 664343008 /nfs/dbraw/zinc/34/30/08/664343008.db2.gz TWPSVTFSTBWTTJ-OKILXGFUSA-N 1 0 381.929 2.559 20 0 GFADRO C[NH+](C)CC1(O)CCN(C(=O)c2ccc(Cl)cc2Br)CC1 ZINC000913679022 664349340 /nfs/dbraw/zinc/34/93/40/664349340.db2.gz ITVDQTZHOYSDPO-UHFFFAOYSA-N 1 0 375.694 2.631 20 0 GFADRO O=S(=O)(Cc1ccsc1Br)NC1CC[NH+](C2CC2)CC1 ZINC000913879931 664363159 /nfs/dbraw/zinc/36/31/59/664363159.db2.gz HQHXKFFLUOHJPT-UHFFFAOYSA-N 1 0 379.345 2.557 20 0 GFADRO CN(Cc1cc(Br)cs1)S(=O)(=O)C[C@@]12CC[N@H+](C1)CCC2 ZINC000913929256 664366469 /nfs/dbraw/zinc/36/64/69/664366469.db2.gz OETBLGAGKSCLHX-AWEZNQCLSA-N 1 0 393.372 2.758 20 0 GFADRO CCC[NH+]1CCC(NC(=O)c2cn(-c3ccccc3Br)nn2)CC1 ZINC000914830642 664416760 /nfs/dbraw/zinc/41/67/60/664416760.db2.gz MIBVLTGAUKOIED-UHFFFAOYSA-N 1 0 392.301 2.634 20 0 GFADRO C[C@@H](CNC(=O)N(C)Cc1ncc(Br)cn1)[NH+]1CCC(C)CC1 ZINC000915073719 664420591 /nfs/dbraw/zinc/42/05/91/664420591.db2.gz YBOVJILAHQDMJW-ZDUSSCGKSA-N 1 0 384.322 2.501 20 0 GFADRO C[C@@H](CC[NH+](C)C)NC(=O)N1CCCC[C@H]1c1ncc(Br)cn1 ZINC000915152557 664422159 /nfs/dbraw/zinc/42/21/59/664422159.db2.gz DKRWRINEOMJBDQ-JSGCOSHPSA-N 1 0 384.322 2.816 20 0 GFADRO O=C(COc1cccc(Br)c1)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000915625962 664436032 /nfs/dbraw/zinc/43/60/32/664436032.db2.gz NEFUTMVOWUXMJG-QGZVFWFLSA-N 1 0 397.313 2.588 20 0 GFADRO CC1CC[NH+](CCNC(=O)/C=C\c2ccc(I)o2)CC1 ZINC000915630675 664436294 /nfs/dbraw/zinc/43/62/94/664436294.db2.gz IDPBJECAMVISFU-HYXAFXHYSA-N 1 0 388.249 2.746 20 0 GFADRO Cc1ccc(NC(=O)C(=O)NC[C@@H](C)[NH+]2CCCCC2)cc1Br ZINC000918465771 664499436 /nfs/dbraw/zinc/49/94/36/664499436.db2.gz SFJJEFLYTMFBKE-CYBMUJFWSA-N 1 0 382.302 2.687 20 0 GFADRO O=C(Cc1ccc(F)c(Br)c1)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000918697479 664502988 /nfs/dbraw/zinc/50/29/88/664502988.db2.gz POXNMEAHXRNSBB-HNNXBMFYSA-N 1 0 399.304 2.890 20 0 GFADRO COC(=O)N1CCC([NH2+]C[C@@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000920093588 664522232 /nfs/dbraw/zinc/52/22/32/664522232.db2.gz ZKSIEHAETNDTGL-CYBMUJFWSA-N 1 0 377.268 2.554 20 0 GFADRO O=C(NC1CCN(c2cccs2)CC1)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000921409044 664547552 /nfs/dbraw/zinc/54/75/52/664547552.db2.gz OJTJRHACASEVAG-HZPDHXFCSA-N 1 0 380.583 2.596 20 0 GFADRO C[C@H](C[NH2+]Cc1c2c(nn1C)CCOC2)Oc1cccc(Br)c1 ZINC000921796444 664569241 /nfs/dbraw/zinc/56/92/41/664569241.db2.gz JFWLRWDJGLFTJE-GFCCVEGCSA-N 1 0 380.286 2.812 20 0 GFADRO CC(C)(C[NH2+]Cc1cc2c(cc(F)cc2Br)[nH]1)S(C)(=O)=O ZINC000921819831 664570788 /nfs/dbraw/zinc/57/07/88/664570788.db2.gz QRYXOBRXQBCZJJ-UHFFFAOYSA-N 1 0 377.279 2.982 20 0 GFADRO COc1cc(CN2CC[C@H]([NH2+]Cc3nc(Br)c[nH]3)C2)cc(OC)c1 ZINC000921830821 664571252 /nfs/dbraw/zinc/57/12/52/664571252.db2.gz NNPUSCGSOGLVRM-ZDUSSCGKSA-N 1 0 395.301 2.554 20 0 GFADRO COC(=O)CS(=O)(=O)Cc1ccc(C[NH2+][C@@H]2CCC[C@H](SC)C2)cc1 ZINC000921839575 664571646 /nfs/dbraw/zinc/57/16/46/664571646.db2.gz LLCDVUHGJLXDHH-SJORKVTESA-N 1 0 385.551 2.538 20 0 GFADRO O=S(=O)(Cc1c(Cl)cccc1Cl)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000921912484 664576178 /nfs/dbraw/zinc/57/61/78/664576178.db2.gz OQBCBCVLPVYAGG-ZDUSSCGKSA-N 1 0 393.336 2.666 20 0 GFADRO O=C1[C@H]([NH2+]Cc2cnn(CCF)c2)CCN1c1cccc(Br)c1 ZINC000922067914 664583821 /nfs/dbraw/zinc/58/38/21/664583821.db2.gz FMPRBKCKJOPKDA-OAHLLOKOSA-N 1 0 381.249 2.510 20 0 GFADRO O=S(=O)(NCCC[NH2+]Cc1ccnn1C1CCC1)c1ccccc1Cl ZINC000922092413 664585377 /nfs/dbraw/zinc/58/53/77/664585377.db2.gz ULYPYWFSUPRXDE-UHFFFAOYSA-N 1 0 382.917 2.720 20 0 GFADRO CCn1c(C[NH2+][C@H](CO)C2CCC2)nc(Br)c1Br ZINC000922237945 664591222 /nfs/dbraw/zinc/59/12/22/664591222.db2.gz PDPWQAKXHNLXQI-SECBINFHSA-N 1 0 381.112 2.679 20 0 GFADRO Cc1nc(C[NH2+][C@@H]2C[C@@H](N3CCOCC3)C23CCC3)sc1Br ZINC000922260795 664592205 /nfs/dbraw/zinc/59/22/05/664592205.db2.gz MRWMUHXDKQBMRD-CHWSQXEVSA-N 1 0 386.359 2.947 20 0 GFADRO Cn1nc2c(c1C[NH2+][C@@]1(CO)CCc3cc(Br)ccc3C1)CCC2 ZINC000922283517 664592895 /nfs/dbraw/zinc/59/28/95/664592895.db2.gz CEUGVSNINZQJEY-IBGZPJMESA-N 1 0 390.325 2.681 20 0 GFADRO CCN1CC[C@@H]1C[NH2+]Cc1nc(Br)c(Br)n1CC ZINC000922336026 664595307 /nfs/dbraw/zinc/59/53/07/664595307.db2.gz YMQMOXBEHDLORU-SECBINFHSA-N 1 0 380.128 2.612 20 0 GFADRO CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NCc1ncc(Br)cc1F)C2 ZINC000922389640 664598400 /nfs/dbraw/zinc/59/84/00/664598400.db2.gz IWNZNCHJSVRWEB-DZUCGIPZSA-N 1 0 386.309 2.553 20 0 GFADRO Cc1c(Br)cncc1C[NH2+]CCN1Cc2ccccc2OCC1=O ZINC000922465855 664602815 /nfs/dbraw/zinc/60/28/15/664602815.db2.gz WWKRWAWICGIDKT-UHFFFAOYSA-N 1 0 390.281 2.663 20 0 GFADRO OC1(C2(C[NH2+]Cc3cn4ccc(Br)cc4n3)CC2)CCOCC1 ZINC000922595603 664607866 /nfs/dbraw/zinc/60/78/66/664607866.db2.gz SFJHGHLWKFHCFW-UHFFFAOYSA-N 1 0 380.286 2.508 20 0 GFADRO CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]C[C@]1(OC(C)C)CCOC1 ZINC000922610108 664608207 /nfs/dbraw/zinc/60/82/07/664608207.db2.gz SMRZRQFQMHRRKR-QGZVFWFLSA-N 1 0 375.918 2.807 20 0 GFADRO C[NH+](C)CC[C@H](NCc1c(Cl)cccc1S(C)(=O)=O)c1cccnc1 ZINC000922628194 664608873 /nfs/dbraw/zinc/60/88/73/664608873.db2.gz OPCXPHOXMFZXDG-KRWDZBQOSA-N 1 0 381.929 2.921 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+]CC[C@@H]2CC[C@@H](C(F)(F)F)O2)cc1Cl ZINC000922676348 664610473 /nfs/dbraw/zinc/61/04/73/664610473.db2.gz JMCXLWKJDMPUKL-GWCFXTLKSA-N 1 0 386.823 2.577 20 0 GFADRO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NC(=O)NC[C@]3(C)CC3(Cl)Cl)C2)[C@@H]1C(C)C ZINC000922708810 664611497 /nfs/dbraw/zinc/61/14/97/664611497.db2.gz IUXLSBNNCCALQY-BJMQQELFSA-N 1 0 392.371 2.739 20 0 GFADRO CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NC(=O)NCC[C@]1(C)CC1(Cl)Cl)C2 ZINC000922734690 664612537 /nfs/dbraw/zinc/61/25/37/664612537.db2.gz GLUXQOMQQHGEBJ-BDLOOMQFSA-N 1 0 392.371 2.739 20 0 GFADRO Brc1cncc(Br)c1C[NH2+]CC1CC2(C1)OCCO2 ZINC000922799011 664614684 /nfs/dbraw/zinc/61/46/84/664614684.db2.gz SGLOJXGGDBWQNH-UHFFFAOYSA-N 1 0 392.091 2.849 20 0 GFADRO O=C(c1cc(F)ccc1Br)N1CCC([NH2+]C2CCOCC2)CC1 ZINC000922853684 664616640 /nfs/dbraw/zinc/61/66/40/664616640.db2.gz RGXDBAGCSHCAOX-UHFFFAOYSA-N 1 0 385.277 2.961 20 0 GFADRO O=C(c1ccc(F)c(Br)c1)N1CCC([NH2+]C2CCOCC2)CC1 ZINC000922874388 664617285 /nfs/dbraw/zinc/61/72/85/664617285.db2.gz XWXXNCNDMFIZPZ-UHFFFAOYSA-N 1 0 385.277 2.961 20 0 GFADRO Cc1c(Br)cncc1C(=O)N1CCC([NH2+]C2CCOCC2)CC1 ZINC000922893567 664617856 /nfs/dbraw/zinc/61/78/56/664617856.db2.gz VRVHZIWYBLGXOJ-UHFFFAOYSA-N 1 0 382.302 2.526 20 0 GFADRO COc1cc(Br)c(CNC[C@H]2CC[N@@H+]2C2CCOCC2)c(OC)c1 ZINC000922954004 664619990 /nfs/dbraw/zinc/61/99/90/664619990.db2.gz OAJCBFIYIURSBW-CQSZACIVSA-N 1 0 399.329 2.809 20 0 GFADRO Cn1nnc2c1C[C@@H]([NH2+]Cc1nc(-c3ccc(Br)cc3)c[nH]1)CC2 ZINC000922995041 664620566 /nfs/dbraw/zinc/62/05/66/664620566.db2.gz ZHFLTBUBYXCEKY-ZDUSSCGKSA-N 1 0 387.285 2.615 20 0 GFADRO COCCN(Cc1cc(Br)cs1)C(=O)NCC1([NH+](C)C)CC1 ZINC000922999289 664620636 /nfs/dbraw/zinc/62/06/36/664620636.db2.gz OSSMJKHPPCSULZ-UHFFFAOYSA-N 1 0 390.347 2.763 20 0 GFADRO COC(=O)c1cc(Br)c(CN(C2CC2)C2CC[NH2+]CC2)cc1OC ZINC000923283263 664627463 /nfs/dbraw/zinc/62/74/63/664627463.db2.gz ZNEXMHVHHOVIJX-UHFFFAOYSA-N 1 0 397.313 2.961 20 0 GFADRO O=S(=O)(N[C@H]1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)[C@H]1CCC[NH2+]C1 ZINC000923587727 664634276 /nfs/dbraw/zinc/63/42/76/664634276.db2.gz DBMYLELKXIISSA-ZDCRXTMVSA-N 1 0 382.370 2.567 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2S(=O)(=O)c2cscc2C(F)F)C1 ZINC000923651948 664635139 /nfs/dbraw/zinc/63/51/39/664635139.db2.gz JHZSUMBBZBVZOP-WXHSDQCUSA-N 1 0 380.482 2.735 20 0 GFADRO [NH3+]C[C@H]1CC2(CO1)CCN(S(=O)(=O)c1c(Cl)cccc1Cl)CC2 ZINC000923687410 664635822 /nfs/dbraw/zinc/63/58/22/664635822.db2.gz XFBYWKMFJUZMJF-LLVKDONJSA-N 1 0 379.309 2.512 20 0 GFADRO C[C@H]1CN(S(=O)(=O)c2c(Cl)cccc2Br)CC[C@@H]1C[NH3+] ZINC000923703491 664636482 /nfs/dbraw/zinc/63/64/82/664636482.db2.gz PVVCBWMMIRYKGD-VHSXEESVSA-N 1 0 381.723 2.708 20 0 GFADRO COC(=O)[C@@H](OC(=O)COC1CC[NH+](C)CC1)c1ccc(Cl)cc1Cl ZINC000923788444 664637985 /nfs/dbraw/zinc/63/79/85/664637985.db2.gz BMHZVVVLTUMRFE-INIZCTEOSA-N 1 0 390.263 2.862 20 0 GFADRO O=C1N[C@@H](C[NH+]2CCCCC2)C(=O)N1Cc1nc2cc(Cl)ccc2s1 ZINC000924524876 664656744 /nfs/dbraw/zinc/65/67/44/664656744.db2.gz CMWGNAKMLZIOIA-ZDUSSCGKSA-N 1 0 378.885 2.856 20 0 GFADRO O=C1N[C@H](C[NH+]2CCCCC2)C(=O)N1Cc1nc2cc(Cl)ccc2s1 ZINC000924524874 664656842 /nfs/dbraw/zinc/65/68/42/664656842.db2.gz CMWGNAKMLZIOIA-CYBMUJFWSA-N 1 0 378.885 2.856 20 0 GFADRO C[C@H](NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1cccc(Br)n1 ZINC000924641748 664659187 /nfs/dbraw/zinc/65/91/87/664659187.db2.gz GMTYERODEUKDHW-WMLDXEAASA-N 1 0 390.325 2.914 20 0 GFADRO CSC[C@@H]1NC(=O)N(C[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)C1=O ZINC000924740974 664660662 /nfs/dbraw/zinc/66/06/62/664660662.db2.gz HDEDKLXNSJHBSY-TUKIKUTGSA-N 1 0 385.892 2.755 20 0 GFADRO C[C@H](C[C@@H]1CCC(=O)N1)[NH2+]C[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000924801835 664662196 /nfs/dbraw/zinc/66/21/96/664662196.db2.gz FYHLZURPLXSGGY-YCPHGPKFSA-N 1 0 380.330 2.922 20 0 GFADRO C[C@H]([NH2+]Cc1ccc(S(=O)(=O)N2CCCC2)cc1)C1(Br)CC1 ZINC000924820641 664662296 /nfs/dbraw/zinc/66/22/96/664662296.db2.gz LEXVVMLUBQRIRZ-ZDUSSCGKSA-N 1 0 387.343 2.877 20 0 GFADRO C[C@H]([NH2+]Cc1cccc(Br)c1)C1CCN(S(C)(=O)=O)CC1 ZINC000924853841 664662809 /nfs/dbraw/zinc/66/28/09/664662809.db2.gz BRZTUAXQENJMCM-LBPRGKRZSA-N 1 0 375.332 2.599 20 0 GFADRO NC(=O)COc1cccc(C[NH2+][C@H]2CCCc3ncc(Br)cc32)c1 ZINC000925162431 664667617 /nfs/dbraw/zinc/66/76/17/664667617.db2.gz UZQYBNITUNPSQF-INIZCTEOSA-N 1 0 390.281 2.875 20 0 GFADRO NC(=O)COc1cccc(C[NH2+][C@@H]2CCCc3ncc(Br)cc32)c1 ZINC000925162433 664667714 /nfs/dbraw/zinc/66/77/14/664667714.db2.gz UZQYBNITUNPSQF-MRXNPFEDSA-N 1 0 390.281 2.875 20 0 GFADRO CN(C(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12)[C@H](CO)c1ccc(Cl)cc1 ZINC000925175368 664668046 /nfs/dbraw/zinc/66/80/46/664668046.db2.gz VJXRLORVQLVRNU-BRWVUGGUSA-N 1 0 383.945 2.595 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)C[NH2+][C@H]1CCOC12CCOCC2 ZINC000925331398 664670683 /nfs/dbraw/zinc/67/06/83/664670683.db2.gz WUPLLCYZRCXWPQ-HNNXBMFYSA-N 1 0 383.286 2.624 20 0 GFADRO CCc1nc2n(n1)C[C@@H]([NH2+][C@H]1CCCc3ncc(Br)cc31)CC2 ZINC000925369111 664671193 /nfs/dbraw/zinc/67/11/93/664671193.db2.gz BFTWOCVPKVOAPF-WFASDCNBSA-N 1 0 376.302 2.980 20 0 GFADRO C[C@@H]([NH2+]Cc1c(F)cccc1OC(F)F)C1CCN(S(C)(=O)=O)CC1 ZINC000925491186 664672707 /nfs/dbraw/zinc/67/27/07/664672707.db2.gz IUORZLWKVXVAOM-LLVKDONJSA-N 1 0 380.432 2.577 20 0 GFADRO O[C@@H](C[NH2+][C@H](C1CC1)C1CCOCC1)COc1ccccc1Br ZINC000925544466 664672965 /nfs/dbraw/zinc/67/29/65/664672965.db2.gz RWAROMZFKSIFPO-MAUKXSAKSA-N 1 0 384.314 2.984 20 0 GFADRO C[C@@H]([NH2+]CCN(C)S(=O)(=O)c1cccs1)c1ccc(C(C)(C)O)cc1 ZINC000925574507 664673286 /nfs/dbraw/zinc/67/32/86/664673286.db2.gz BPRXHSYIURYHBB-CQSZACIVSA-N 1 0 382.551 2.947 20 0 GFADRO O=S1(=O)CCNC[C@H]1CC[NH2+][C@H]1CCCc2c(Cl)sc(Cl)c21 ZINC000925791957 664674838 /nfs/dbraw/zinc/67/48/38/664674838.db2.gz HLWRPCSQHHNVNQ-KOLCDFICSA-N 1 0 383.366 2.799 20 0 GFADRO Cn1cc(CN[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c(Br)n1 ZINC000925806469 664675054 /nfs/dbraw/zinc/67/50/54/664675054.db2.gz QFDUWUDIPQQFDE-RHSMWYFYSA-N 1 0 377.286 2.528 20 0 GFADRO [NH3+][C@@H]1CN(C(=O)Nc2ccccc2I)C[C@H]1C(F)(F)F ZINC000925896611 664677000 /nfs/dbraw/zinc/67/70/00/664677000.db2.gz PIQSWPJMSWLEGO-VXNVDRBHSA-N 1 0 399.154 2.645 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)NC[C@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925954394 664678064 /nfs/dbraw/zinc/67/80/64/664678064.db2.gz NJLRGGLNTLLPAA-CYBMUJFWSA-N 1 0 396.285 2.564 20 0 GFADRO CCOC(=O)c1sc(NC(=O)N2CC[C@H](C(F)(F)F)[C@H]([NH3+])C2)cc1C ZINC000925992818 664678838 /nfs/dbraw/zinc/67/88/38/664678838.db2.gz KCGHBJGWPHRNAQ-VHSXEESVSA-N 1 0 379.404 2.977 20 0 GFADRO Cc1ccc(SCC(F)(F)F)c(NC(=O)N2CCNCC[NH2+]CC2)c1 ZINC000926036649 664679588 /nfs/dbraw/zinc/67/95/88/664679588.db2.gz KPNGILAFMMSHDK-UHFFFAOYSA-N 1 0 376.448 2.676 20 0 GFADRO C[C@@H]1C[NH2+]C[C@H]1NC(=O)Nc1ccc(CCn2cc(Br)cn2)cc1 ZINC000926045275 664679768 /nfs/dbraw/zinc/67/97/68/664679768.db2.gz KIMLPIHRGNBIRV-MLGOLLRUSA-N 1 0 392.301 2.618 20 0 GFADRO COC(=O)c1cc(NC(=O)NC[C@@H]2CC[C@H]([NH3+])C2)c(Br)cc1F ZINC000926044767 664679771 /nfs/dbraw/zinc/67/97/71/664679771.db2.gz HPZAWWHTPIDZLA-BDAKNGLRSA-N 1 0 388.237 2.624 20 0 GFADRO COc1cc(NC(=O)N[C@@H]2C[NH2+]CC3(CCOCC3)C2)ccc1Br ZINC000926049221 664679998 /nfs/dbraw/zinc/67/99/98/664679998.db2.gz IJXBARMDCWSDEN-ZDUSSCGKSA-N 1 0 398.301 2.738 20 0 GFADRO COc1cc(NC(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)ccc1Br ZINC000926050781 664680088 /nfs/dbraw/zinc/68/00/88/664680088.db2.gz XHGIQIHJCVQUCN-PSASIEDQSA-N 1 0 382.180 2.811 20 0 GFADRO [NH3+]CC[C@@H]1CCN(C(=O)Nc2cnc(Br)c(Br)c2)C1 ZINC000926060246 664680307 /nfs/dbraw/zinc/68/03/07/664680307.db2.gz DLFOXGQXGDIYQC-MRVPVSSYSA-N 1 0 392.095 2.809 20 0 GFADRO C[NH2+]C[C@@H]1CCCCN1C(=O)Nc1ccc(Br)c(C(=O)OC)c1 ZINC000926083045 664681289 /nfs/dbraw/zinc/68/12/89/664681289.db2.gz ACTCIXQKRDGULI-LBPRGKRZSA-N 1 0 384.274 2.842 20 0 GFADRO Cc1cc(Br)cc(NC(=O)NC[C@@H]2CC3(CC[NH2+]CC3)C(=O)O2)c1 ZINC000926096181 664681545 /nfs/dbraw/zinc/68/15/45/664681545.db2.gz ARIWLUVKFJAMHW-AWEZNQCLSA-N 1 0 396.285 2.564 20 0 GFADRO [NH3+]CC[C@@H]1CCN(C(=O)Nc2ccnn2Cc2ccccc2Br)C1 ZINC000926098710 664681597 /nfs/dbraw/zinc/68/15/97/664681597.db2.gz AEMXECVFWIZCJY-CYBMUJFWSA-N 1 0 392.301 2.897 20 0 GFADRO CC1(C)CN(C(=O)Nc2ccnn2Cc2ccc(Br)cc2)C[C@@H]1[NH3+] ZINC000926099263 664681699 /nfs/dbraw/zinc/68/16/99/664681699.db2.gz VAUALZFIFHPBSL-AWEZNQCLSA-N 1 0 392.301 2.895 20 0 GFADRO [NH3+][C@@H]1CC[C@H](CNC(=O)Nc2ccn(-c3ccc(Br)cc3)n2)C1 ZINC000926126663 664682340 /nfs/dbraw/zinc/68/23/40/664682340.db2.gz RTECXVAPCJNGPL-WCQYABFASA-N 1 0 378.274 2.884 20 0 GFADRO CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)c1ccsc1C(F)(F)F)C2 ZINC000926137269 664682819 /nfs/dbraw/zinc/68/28/19/664682819.db2.gz CAJIPKZYYVWEIT-FOCJUVANSA-N 1 0 376.444 2.976 20 0 GFADRO Cc1cc(Br)oc1C(=O)N[C@@H]1C[C@]2(C[N@@H+](C)[C@H]2C(C)C)C[C@H]1O ZINC000926185573 664684358 /nfs/dbraw/zinc/68/43/58/664684358.db2.gz ZHYJQJARWSWWDU-BKBUGSPTSA-N 1 0 385.302 2.560 20 0 GFADRO CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)c1ccc(Br)cc1F)C2 ZINC000926189343 664684464 /nfs/dbraw/zinc/68/44/64/664684464.db2.gz YVBXAEOXJTZNKN-CBZIJGRNSA-N 1 0 399.304 2.798 20 0 GFADRO O=C(N[C@@H](c1ccc(Cl)cc1Cl)C(F)(F)F)N1CCNCC[NH2+]CC1 ZINC000926202522 664684706 /nfs/dbraw/zinc/68/47/06/664684706.db2.gz FJTWRXSIWAUBCD-ZDUSSCGKSA-N 1 0 399.244 2.801 20 0 GFADRO CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)c1ccc(Br)cc1)C2 ZINC000926192851 664684723 /nfs/dbraw/zinc/68/47/23/664684723.db2.gz KODRKWXCAOXASI-KONPQCLYSA-N 1 0 381.314 2.659 20 0 GFADRO OC[C@H](C[NH2+][C@H]1CCOC12CCOCC2)Cc1cccc(Br)c1 ZINC000926282752 664686183 /nfs/dbraw/zinc/68/61/83/664686183.db2.gz DQPALBCFBGMTPS-RDJZCZTQSA-N 1 0 384.314 2.528 20 0 GFADRO C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000926305253 664687523 /nfs/dbraw/zinc/68/75/23/664687523.db2.gz BPWUMWGTRHTFBK-RWMBFGLXSA-N 1 0 384.307 2.581 20 0 GFADRO Cc1c(Br)cccc1C[C@H](CO)C[NH2+][C@@H](C)C[C@H]1CCC(=O)N1 ZINC000926545178 664692345 /nfs/dbraw/zinc/69/23/45/664692345.db2.gz UYRNATRBWFEDPJ-DUVNUKRYSA-N 1 0 383.330 2.555 20 0 GFADRO O[C@@H](C[NH2+][C@H](Cc1ccccc1Br)c1ccco1)Cn1ccnn1 ZINC000926574064 664692705 /nfs/dbraw/zinc/69/27/05/664692705.db2.gz UFPCYDSEFOBNDQ-GOEBONIOSA-N 1 0 391.269 2.568 20 0 GFADRO C[C@H]([NH2+]C[C@H](OC1CCCC1)C(F)(F)F)C1CCN(S(C)(=O)=O)CC1 ZINC000926688538 664695396 /nfs/dbraw/zinc/69/53/96/664695396.db2.gz FTXQXBYGIJLDLJ-WFASDCNBSA-N 1 0 386.480 2.526 20 0 GFADRO CN1CCOC[C@H]1C[NH2+][C@@H](c1ccc(Br)cc1)c1cccnc1 ZINC000926761260 664696312 /nfs/dbraw/zinc/69/63/12/664696312.db2.gz VFKRQQIPHCSFSQ-MSOLQXFVSA-N 1 0 376.298 2.854 20 0 GFADRO CO[C@@]1(C[NH2+]C(CCC(F)(F)F)CCC(F)(F)F)CCS(=O)(=O)C1 ZINC000926900019 664698677 /nfs/dbraw/zinc/69/86/77/664698677.db2.gz PXSGFFIUOVQUNX-LLVKDONJSA-N 1 0 385.370 2.833 20 0 GFADRO C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+]C[C@H]1C[C@@H]2COC[C@@H]2O1 ZINC000926947899 664699386 /nfs/dbraw/zinc/69/93/86/664699386.db2.gz UEDUIYIKGKGCSK-OJDYBEQGSA-N 1 0 383.286 2.560 20 0 GFADRO Cc1cc([C@H](Cc2ccccc2Cl)[NH2+]C[C@H](O)CS(C)(=O)=O)cs1 ZINC000927021171 664702245 /nfs/dbraw/zinc/70/22/45/664702245.db2.gz BBFYWZGUBKWEMU-RDJZCZTQSA-N 1 0 387.954 2.989 20 0 GFADRO CCC[NH+]1CCC(N(C)C(=O)NCC2(n3cc(Br)cn3)CC2)CC1 ZINC000927102913 664703844 /nfs/dbraw/zinc/70/38/44/664703844.db2.gz MRXZXINLDXDTBW-UHFFFAOYSA-N 1 0 398.349 2.651 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCC2(n3cc(Br)cn3)CC2)C[C@@H]1C ZINC000927110765 664704191 /nfs/dbraw/zinc/70/41/91/664704191.db2.gz VCMGMVBSDQDHMX-DZGCQCFKSA-N 1 0 398.349 2.649 20 0 GFADRO Cn1nccc1[C@H](O)C[NH2+][C@H]1CCN(C)[C@H](c2ccc(Br)cc2)C1 ZINC000927127054 664704951 /nfs/dbraw/zinc/70/49/51/664704951.db2.gz QGSPOTFIQBISQF-RYQLBKOJSA-N 1 0 393.329 2.641 20 0 GFADRO CN(C)c1cc[nH+]c(CNC(=O)Cc2ccccc2I)c1 ZINC000927700931 664714304 /nfs/dbraw/zinc/71/43/04/664714304.db2.gz PTSZTJKZNPKWKB-UHFFFAOYSA-N 1 0 395.244 2.611 20 0 GFADRO CN(C)c1cc[nH+]c(CNC(=O)[C@@H]2COc3ccc(Br)cc32)c1 ZINC000927701807 664714323 /nfs/dbraw/zinc/71/43/23/664714323.db2.gz DMCUCUYCCWAJKH-OAHLLOKOSA-N 1 0 376.254 2.703 20 0 GFADRO [NH3+][C@@H]1CN(C(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)CC[C@H]1C(F)(F)F ZINC000927846996 664716661 /nfs/dbraw/zinc/71/66/61/664716661.db2.gz DUSZWVAMVZHKPQ-LDYMZIIASA-N 1 0 384.185 2.670 20 0 GFADRO [NH3+]CC[C@H]1CCN(C(=O)C(=O)Nc2ccc(Br)c3ccccc23)C1 ZINC000927888429 664717311 /nfs/dbraw/zinc/71/73/11/664717311.db2.gz TYBLKWAIDDIBPB-LBPRGKRZSA-N 1 0 390.281 2.738 20 0 GFADRO O=C([C@@H]1CC[C@@H]2CCCC[N@@H+]21)N1CCC[C@H]1c1ncc(Br)cn1 ZINC000928358769 664730155 /nfs/dbraw/zinc/73/01/55/664730155.db2.gz UKKFEKLJPCWZHA-KKUMJFAQSA-N 1 0 379.302 2.920 20 0 GFADRO C[C@H]1[C@@H](NC(=O)c2c(Cl)ccc(I)c2F)CC[N@@H+]1C ZINC000928425206 664732427 /nfs/dbraw/zinc/73/24/27/664732427.db2.gz HLCCCUWBNRYUEL-XVKPBYJWSA-N 1 0 396.631 2.906 20 0 GFADRO Cc1c(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2C)cnn1-c1ccc(Br)cc1 ZINC000928453915 664732823 /nfs/dbraw/zinc/73/28/23/664732823.db2.gz PFGYFSDATDBAAC-WBMJQRKESA-N 1 0 377.286 2.766 20 0 GFADRO C[NH+](C)CC[C@@H](NC(=O)c1cnc(F)c(Br)c1)c1cccnc1 ZINC000928830431 664740511 /nfs/dbraw/zinc/74/05/11/664740511.db2.gz ZVFCCSFMVUAZBR-CQSZACIVSA-N 1 0 381.249 2.801 20 0 GFADRO CCC[NH+]1CCC(NC(=O)[C@](C)(O)c2ccc(F)c(Br)c2)CC1 ZINC000929407212 664751828 /nfs/dbraw/zinc/75/18/28/664751828.db2.gz BSMATUDTOFBHTJ-QGZVFWFLSA-N 1 0 387.293 2.786 20 0 GFADRO COc1ccc([C@H](C)NC(=O)COC2CC[NH+](C)CC2)cc1Br ZINC000929463206 664752793 /nfs/dbraw/zinc/75/27/93/664752793.db2.gz ATAUXCNTJYXTNL-LBPRGKRZSA-N 1 0 385.302 2.746 20 0 GFADRO O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cc(=O)[nH]cc1Br ZINC000929525416 664753709 /nfs/dbraw/zinc/75/37/09/664753709.db2.gz HLXHKUJPUQRLCF-ZDUSSCGKSA-N 1 0 376.254 2.554 20 0 GFADRO C[C@H]([C@H](C)[N@H+](C)C[C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F)S(C)(=O)=O ZINC000929640859 664755395 /nfs/dbraw/zinc/75/53/95/664755395.db2.gz WPKKNQLFBYLVBU-CQJJVWNLSA-N 1 0 379.444 2.922 20 0 GFADRO C[N@H+](CCCCOc1ccc(Br)cc1)C[C@H]1CCS(=O)(=O)C1 ZINC000929699894 664756256 /nfs/dbraw/zinc/75/62/56/664756256.db2.gz VSGYCMYZOOWLGP-CQSZACIVSA-N 1 0 390.343 2.975 20 0 GFADRO COC(=O)c1ccc(Br)c(CN2CC[NH+](C3CCOCC3)CC2)c1 ZINC000929773835 664757543 /nfs/dbraw/zinc/75/75/43/664757543.db2.gz JFVRQLUAGNAVFZ-UHFFFAOYSA-N 1 0 397.313 2.532 20 0 GFADRO O=C(Nc1cc(C(F)(F)F)c[nH]c1=O)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000929902074 664759408 /nfs/dbraw/zinc/75/94/08/664759408.db2.gz QKSAPQSXCFDAAH-ZYHUDNBSSA-N 1 0 376.404 2.507 20 0 GFADRO O=C(Nc1cccc(Br)c1)C1CC[NH+](CCO[C@@H]2CCOC2)CC1 ZINC000929953944 664760206 /nfs/dbraw/zinc/76/02/06/664760206.db2.gz FWMYJLDDSUTWAW-QGZVFWFLSA-N 1 0 397.313 2.905 20 0 GFADRO COC(=O)c1ccc(Br)c(C[N@@H+]2CCCC[C@H]2[C@@H]2CNC(=O)C2)c1 ZINC000930138172 664763150 /nfs/dbraw/zinc/76/31/50/664763150.db2.gz NWKYWTBTFJNYKS-BBRMVZONSA-N 1 0 395.297 2.726 20 0 GFADRO O=C(N[C@H]1CC[N@@H+](C2CC2)C1)c1cc2ccc(Br)cc2c(=O)o1 ZINC000930673346 664775608 /nfs/dbraw/zinc/77/56/08/664775608.db2.gz GNLBRVTWNVJILC-LBPRGKRZSA-N 1 0 377.238 2.522 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)c1cnn(Cc2ccccc2)c1Br ZINC000930672812 664775701 /nfs/dbraw/zinc/77/57/01/664775701.db2.gz DUNKQWXTMFVXIT-CQSZACIVSA-N 1 0 389.297 2.660 20 0 GFADRO COCC[NH+]1CCC(NC(=O)C(F)(F)c2cc(Cl)ccc2OC)CC1 ZINC000930715459 664777072 /nfs/dbraw/zinc/77/70/72/664777072.db2.gz FQIZNSOWNDISDN-UHFFFAOYSA-N 1 0 376.831 2.667 20 0 GFADRO COCCOc1ccc(Br)cc1NC(=O)N[C@@H]1CC[N@H+](C)[C@H]1C ZINC000930752944 664777683 /nfs/dbraw/zinc/77/76/83/664777683.db2.gz XWBOBYHXYHOYSA-WCQYABFASA-N 1 0 386.290 2.688 20 0 GFADRO O=C(Nc1csc(-c2ccccn2)n1)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000930754576 664777707 /nfs/dbraw/zinc/77/77/07/664777707.db2.gz CBAZHUYADMUIFU-TZMCWYRMSA-N 1 0 375.523 2.906 20 0 GFADRO C[C@@H]1CC[C@@H](C(N)=O)[C@@H](C)[N@@H+]1Cc1nnc(-c2ccc(Br)o2)o1 ZINC000930917378 664780928 /nfs/dbraw/zinc/78/09/28/664780928.db2.gz WCEUETDLINGKME-OPRDCNLKSA-N 1 0 383.246 2.566 20 0 GFADRO O=C(NC1CC[NH+](CC2CCCC2)CC1)C1(n2cc(Br)cn2)CC1 ZINC000930997421 664782671 /nfs/dbraw/zinc/78/26/71/664782671.db2.gz YAZGEJKIOASWKB-UHFFFAOYSA-N 1 0 395.345 2.906 20 0 GFADRO COc1c(C)[nH]cc(C[N@H+](C)C[C@H](O)c2ccccc2Br)c1=O ZINC000931325844 664791901 /nfs/dbraw/zinc/79/19/01/664791901.db2.gz USTKDGLELQCQFV-HNNXBMFYSA-N 1 0 381.270 2.620 20 0 GFADRO CCC(CC)[NH2+]CCNC(=O)Nc1cccc(C(=O)NC)c1Br ZINC000931407940 664794357 /nfs/dbraw/zinc/79/43/57/664794357.db2.gz ZLLGBSBYNBUUSZ-UHFFFAOYSA-N 1 0 385.306 2.708 20 0 GFADRO COC(=O)[C@H](c1cccc(Br)c1)N1CCc2[nH+]ccc(N)c2C1 ZINC000931514592 664797034 /nfs/dbraw/zinc/79/70/34/664797034.db2.gz CDCAEKOCRAFNKR-INIZCTEOSA-N 1 0 376.254 2.699 20 0 GFADRO Cc1ccc(NC(=O)CN2CCc3[nH+]ccc(N)c3C2)c(Br)c1 ZINC000931514742 664797131 /nfs/dbraw/zinc/79/71/31/664797131.db2.gz YCPWOQXAYGVGKZ-UHFFFAOYSA-N 1 0 375.270 2.732 20 0 GFADRO O=C(N[C@H](c1nccs1)C(F)(F)F)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000931558371 664798797 /nfs/dbraw/zinc/79/87/97/664798797.db2.gz UDDJGEWIZBVOHD-GMTAPVOTSA-N 1 0 380.461 2.626 20 0 GFADRO Cc1ncc(Br)cc1NC(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000931642845 664801278 /nfs/dbraw/zinc/80/12/78/664801278.db2.gz DMVGUOAQGMQLKE-OCCSQVGLSA-N 1 0 385.331 2.854 20 0 GFADRO Cc1ccc2[nH]c(C(=O)N[C@@H](C)CN3CC[NH+](C)CC3)cc2c1Br ZINC000932186032 664812533 /nfs/dbraw/zinc/81/25/33/664812533.db2.gz LGVMXQKEIYSCTF-ZDUSSCGKSA-N 1 0 393.329 2.605 20 0 GFADRO O=C(c1nc(Br)c2ccccn21)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000932272920 664817615 /nfs/dbraw/zinc/81/76/15/664817615.db2.gz OHFGENGBKYJESV-CYBMUJFWSA-N 1 0 377.286 2.797 20 0 GFADRO C[NH+](C)C1CCN(C(=O)c2cc(Br)cnc2Br)CC1 ZINC000932360570 664820415 /nfs/dbraw/zinc/82/04/15/664820415.db2.gz GPEYKJKRNNJVBC-UHFFFAOYSA-N 1 0 391.107 2.773 20 0 GFADRO C[NH+](C)C1(CNC(=O)C(F)(F)c2cccc(Br)c2)CCOCC1 ZINC000932824034 664840756 /nfs/dbraw/zinc/84/07/56/664840756.db2.gz DTMILHVHJZHNHY-UHFFFAOYSA-N 1 0 391.256 2.768 20 0 GFADRO COc1ncc(NC(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)c(C)c1Br ZINC000932946715 664844314 /nfs/dbraw/zinc/84/43/14/664844314.db2.gz TWNBVPBIMQGHDT-GFCCVEGCSA-N 1 0 385.306 2.967 20 0 GFADRO C[NH+](C)CCN(Cc1ccsc1)C(=O)N[C@@H]([C@H]1CCOC1)C(F)(F)F ZINC000932993950 664846303 /nfs/dbraw/zinc/84/63/03/664846303.db2.gz OMQSFLBZZHWFLB-KBPBESRZSA-N 1 0 379.448 2.789 20 0 GFADRO CN(CCC[NH+](C)C)CCNC(=O)Nc1c(F)ccc(Br)c1F ZINC000933302861 664857519 /nfs/dbraw/zinc/85/75/19/664857519.db2.gz YZYGDHGQNCPGMO-UHFFFAOYSA-N 1 0 393.276 2.732 20 0 GFADRO C[N@@H+](Cc1cccc(=O)[nH]1)C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000933398693 664862218 /nfs/dbraw/zinc/86/22/18/664862218.db2.gz FLRALGCFQLWKCG-AWEZNQCLSA-N 1 0 385.233 2.561 20 0 GFADRO Cc1cc(NC(=O)CC[NH2+][C@@](C)(CO)Cc2ccc(Br)cc2)no1 ZINC000933438752 664864261 /nfs/dbraw/zinc/86/42/61/664864261.db2.gz ZOWJAXMFNJITQY-QGZVFWFLSA-N 1 0 396.285 2.657 20 0 GFADRO Cc1ncc(CNC(=O)CC[NH2+][C@](C)(CO)Cc2ccc(Cl)cc2)s1 ZINC000933442171 664864919 /nfs/dbraw/zinc/86/49/19/664864919.db2.gz DWFPAJQKQAAKJQ-SFHVURJKSA-N 1 0 381.929 2.695 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)c2cnn(Cc3ccccc3)c2Br)CC[N@@H+]1C ZINC000933489310 664866618 /nfs/dbraw/zinc/86/66/18/664866618.db2.gz AHMVHOMZPKYUQI-HIFRSBDPSA-N 1 0 391.313 2.906 20 0 GFADRO C[N@@H+]1C[C@@H]2CN(CC(=O)Nc3ccc(Br)cc3Cl)C[C@]2(C)C1 ZINC000933738086 664875700 /nfs/dbraw/zinc/87/57/00/664875700.db2.gz FMMLIRRYRMNKFG-BZNIZROVSA-N 1 0 386.721 2.925 20 0 GFADRO CC[NH+](CC)[C@H]1CCN(C(=O)C[C@@H]2C(=O)Nc3c2cccc3Br)C1 ZINC000933794436 664878097 /nfs/dbraw/zinc/87/80/97/664878097.db2.gz NKEWQMXJRPJPIT-JSGCOSHPSA-N 1 0 394.313 2.818 20 0 GFADRO CCOC(=O)C1([C@H](C)[NH2+][C@H](C)c2ncc(Br)cn2)CCOCC1 ZINC000933883681 664879719 /nfs/dbraw/zinc/87/97/19/664879719.db2.gz KIEHNQHLJGLIKM-NEPJUHHUSA-N 1 0 386.290 2.638 20 0 GFADRO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)c2cnn3cccc(Br)c23)C1 ZINC000933943431 664882519 /nfs/dbraw/zinc/88/25/19/664882519.db2.gz FJBMUBHASCCZRH-AWEZNQCLSA-N 1 0 391.313 2.901 20 0 GFADRO CO[C@@H]1CCOC[C@H]1[NH2+][C@H](C)C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl ZINC000934042494 664888455 /nfs/dbraw/zinc/88/84/55/664888455.db2.gz UMANUNJNWWATRZ-IRHXVLAXSA-N 1 0 375.296 2.953 20 0 GFADRO CO[C@@H]1CCOC[C@H]1[NH2+][C@@H](C)C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl ZINC000934042492 664888496 /nfs/dbraw/zinc/88/84/96/664888496.db2.gz UMANUNJNWWATRZ-DPDCMNJDSA-N 1 0 375.296 2.953 20 0 GFADRO CC(C)(C)OC(=O)N1CC(N2CC[NH+](C[C@@]3(C)CC3(Cl)Cl)CC2)C1 ZINC000934099325 664889698 /nfs/dbraw/zinc/88/96/98/664889698.db2.gz YAEPUMIORNTITM-MRXNPFEDSA-N 1 0 378.344 2.807 20 0 GFADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)Nc2cncc(Br)c2C)CC1 ZINC000934253281 664894359 /nfs/dbraw/zinc/89/43/59/664894359.db2.gz UHSWKWUHNRKJDD-ZDUSSCGKSA-N 1 0 398.349 2.548 20 0 GFADRO Cc1c(Br)cncc1NC(=O)N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC000934266106 664895821 /nfs/dbraw/zinc/89/58/21/664895821.db2.gz ACEOJORHIIWIFQ-LBPRGKRZSA-N 1 0 397.317 2.870 20 0 GFADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc2c(Br)cnn2c1 ZINC000934319854 664898592 /nfs/dbraw/zinc/89/85/92/664898592.db2.gz ONPMLIUZSOBYTH-KGLIPLIRSA-N 1 0 377.286 2.796 20 0 GFADRO CN(C)c1cc[nH+]c(CNC(=O)Nc2c(Br)cnn2C2CC2)c1 ZINC000934365233 664900869 /nfs/dbraw/zinc/90/08/69/664900869.db2.gz AXNOMPSUNRTXOO-UHFFFAOYSA-N 1 0 379.262 2.763 20 0 GFADRO O=C1Nc2ccc(Br)cc2CC[C@H]1[NH2+][C@@H]1CCOC12CCOCC2 ZINC000934401937 664905641 /nfs/dbraw/zinc/90/56/41/664905641.db2.gz LQKKJTHEPTWMQD-HZPDHXFCSA-N 1 0 395.297 2.630 20 0 GFADRO Cn1c(=O)oc2ccc(C[NH2+][C@@](C)(CO)c3cccc(Br)c3)cc21 ZINC000934493277 664908577 /nfs/dbraw/zinc/90/85/77/664908577.db2.gz KYPPPHSMRBGGHG-SFHVURJKSA-N 1 0 391.265 2.891 20 0 GFADRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1cc(Br)c2nccnc2c1 ZINC000934579177 664912363 /nfs/dbraw/zinc/91/23/63/664912363.db2.gz WMYKQNMOVXRKQX-BMIGLBTASA-N 1 0 375.270 2.605 20 0 GFADRO C[C@]12CSC[C@H]1C[N@H+](Cc1cc(=O)n3cc(Br)ccc3n1)C2 ZINC000934774814 664920165 /nfs/dbraw/zinc/92/01/65/664920165.db2.gz VBSONLNEDJGAHZ-BZNIZROVSA-N 1 0 380.311 2.642 20 0 GFADRO CCO[C@H](C[NH2+][C@@H](CO)c1ccccc1I)C1CC1 ZINC000934825910 664924334 /nfs/dbraw/zinc/92/43/34/664924334.db2.gz HQEXDGPFOWRKQP-LSDHHAIUSA-N 1 0 375.250 2.729 20 0 GFADRO OC[C@@H]([NH2+]CC[C@H]1CCCCO1)c1ccccc1I ZINC000934825754 664924423 /nfs/dbraw/zinc/92/44/23/664924423.db2.gz GDLLCQKHVBDGOP-IUODEOHRSA-N 1 0 375.250 2.873 20 0 GFADRO OC[C@@H]([NH2+]CCCOC(F)(F)F)c1ccccc1I ZINC000934827646 664925302 /nfs/dbraw/zinc/92/53/02/664925302.db2.gz YIWNVMPKMYSTDO-LLVKDONJSA-N 1 0 389.155 2.841 20 0 GFADRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2cc(Br)c3nccnc3c2)C1 ZINC000934949038 664931303 /nfs/dbraw/zinc/93/13/03/664931303.db2.gz BHKKNSYRHSLXIH-BLLLJJGKSA-N 1 0 389.297 2.949 20 0 GFADRO O=C(NCCCC[N@H+]1CCC[C@H]1CO)c1cnc(CCC(F)(F)F)s1 ZINC000934950989 664931441 /nfs/dbraw/zinc/93/14/41/664931441.db2.gz BTLVQUICLJZXRG-LBPRGKRZSA-N 1 0 379.448 2.605 20 0 GFADRO Cc1cc(C(=O)N2CCN(C3CC[NH+](C(C)C)CC3)CC2)oc1Br ZINC000934982912 664932658 /nfs/dbraw/zinc/93/26/58/664932658.db2.gz IYGBUYUULKULTF-UHFFFAOYSA-N 1 0 398.345 2.981 20 0 GFADRO O=C(c1ccc(Br)[nH]c1=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000935013265 664934097 /nfs/dbraw/zinc/93/40/97/664934097.db2.gz QWUUJHQOVADXAR-FZMZJTMJSA-N 1 0 380.286 2.639 20 0 GFADRO O=C(c1cc(=O)[nH]cc1Br)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000935013254 664934190 /nfs/dbraw/zinc/93/41/90/664934190.db2.gz QUQZLQOMDCKYLQ-NHYWBVRUSA-N 1 0 380.286 2.639 20 0 GFADRO C[C@H]1C[N@H+](CCCNC(=O)c2cc(F)cc(Br)c2F)CCCO1 ZINC000935655377 664978913 /nfs/dbraw/zinc/97/89/13/664978913.db2.gz KMOYZTZKUDKOPC-NSHDSACASA-N 1 0 391.256 2.958 20 0 GFADRO C[NH+](C)C[C@@]1(O)CCCN(C(=O)c2nccc3c(Br)cccc32)C1 ZINC000935680326 664980852 /nfs/dbraw/zinc/98/08/52/664980852.db2.gz PHSFLPTUHYLUSX-SFHVURJKSA-N 1 0 392.297 2.526 20 0 GFADRO CC[C@H]1C[N@H+](C)CCCN1C(=O)c1cc2cc(Br)cnc2n1C ZINC000935776514 664988052 /nfs/dbraw/zinc/98/80/52/664988052.db2.gz PSALJRJMPRRINN-AWEZNQCLSA-N 1 0 379.302 2.892 20 0 GFADRO CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCN1C(=O)c1csc(Cl)c1 ZINC000984948266 665019220 /nfs/dbraw/zinc/01/92/20/665019220.db2.gz VSLNBQPBBQQUPH-REBRKWNGSA-N 1 0 383.945 2.851 20 0 GFADRO C[N@@H+]1CC[C@H](CC(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2cc(Cl)cs2)C3)C1 ZINC000996383493 665030447 /nfs/dbraw/zinc/03/04/47/665030447.db2.gz LZADNMCQLFNWHS-RZFFKMDDSA-N 1 0 381.929 2.605 20 0 GFADRO Cc1csc(Cl)c1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCCC1)C2 ZINC000996560917 665032687 /nfs/dbraw/zinc/03/26/87/665032687.db2.gz WMHOXURJEAWBLX-RDBSUJKOSA-N 1 0 381.929 2.667 20 0 GFADRO C[N@@H+]1CC[C@H](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)c2cscc2Cl)C1 ZINC000998629717 665040568 /nfs/dbraw/zinc/04/05/68/665040568.db2.gz IEFCJQLBMBWETE-MPTQWLOMSA-N 1 0 381.929 2.605 20 0 GFADRO CN(C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)C1CC[NH+](CC[C@@H]2CC2(Cl)Cl)CC1 ZINC001005734891 665067824 /nfs/dbraw/zinc/06/78/24/665067824.db2.gz GOFGWZJDTHDZEL-KFTDAMQQSA-N 1 0 387.351 2.917 20 0 GFADRO O=C(N[C@H]1C[C@H]([NH2+]Cc2cscc2Br)C1)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001020407904 665073324 /nfs/dbraw/zinc/07/33/24/665073324.db2.gz JZRMIXUCKZISKP-BRILOECPSA-N 1 0 397.338 2.671 20 0 GFADRO C[C@@H](CNC(=O)NNC(=O)c1ccccc1Br)[NH+]1CCC(C)CC1 ZINC000065477938 677395192 /nfs/dbraw/zinc/39/51/92/677395192.db2.gz HMEROMPGVGGVBQ-ZDUSSCGKSA-N 1 0 397.317 2.514 20 0 GFADRO C[C@H](CNC(=O)C[C@H](C)c1ccc(Br)cc1)N1CC[NH+](C)CC1 ZINC000120482944 677396418 /nfs/dbraw/zinc/39/64/18/677396418.db2.gz NKENOICTQIRKCO-LSDHHAIUSA-N 1 0 382.346 2.695 20 0 GFADRO CC[NH+]1CCN([C@@H](C)CNC(=O)[C@H](C)Oc2ccc(Cl)c(Cl)c2)CC1 ZINC000120878202 677398300 /nfs/dbraw/zinc/39/83/00/677398300.db2.gz BIIUZJIAHYNGJF-KBPBESRZSA-N 1 0 388.339 2.903 20 0 GFADRO O=C(C[N@H+]1CCC[C@@H]1Cc1ccc(Br)cc1)NC[C@@H]1CCCO1 ZINC000143433896 677402143 /nfs/dbraw/zinc/40/21/43/677402143.db2.gz WXZGCRHXCOUFAW-SJORKVTESA-N 1 0 381.314 2.751 20 0 GFADRO CCS(=O)(=O)CC[NH2+][C@@H](C)C[C@H]1CCCCCN1C(=O)OC(C)(C)C ZINC000160495495 677404282 /nfs/dbraw/zinc/40/42/82/677404282.db2.gz MTTNHSICIZXBTR-JKSUJKDBSA-N 1 0 376.563 2.969 20 0 GFADRO Cc1nc(Cl)ccc1S(=O)(=O)N[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000398118499 677411871 /nfs/dbraw/zinc/41/18/71/677411871.db2.gz ABSHHEKKSLXNDW-XJKSGUPXSA-N 1 0 379.913 2.985 20 0 GFADRO CC(C)(C)OC(=O)N1CC(C[NH2+]Cc2c(Cl)cccc2S(C)(=O)=O)C1 ZINC000397858414 677411969 /nfs/dbraw/zinc/41/19/69/677411969.db2.gz WDZRRJAAURPBTF-UHFFFAOYSA-N 1 0 388.917 2.700 20 0 GFADRO C[N@H+](CCc1cccc(Br)c1)[C@@H]1CCN(C2CCOCC2)C1=O ZINC000463418805 677412817 /nfs/dbraw/zinc/41/28/17/677412817.db2.gz ZWCAKVUXXFUJFL-QGZVFWFLSA-N 1 0 381.314 2.703 20 0 GFADRO O=C(NCCc1ccc(I)s1)c1ccc2c[nH+]cn2c1 ZINC000580291371 677674085 /nfs/dbraw/zinc/67/40/85/677674085.db2.gz NLCCONBGDYDKGF-UHFFFAOYSA-N 1 0 397.241 2.973 20 0 GFADRO FC(F)(c1cc(-c2ccccc2)nnc1Cl)N1CC[C@H]2[NH2+]CCO[C@H]2C1 ZINC001164389876 718825005 /nfs/dbraw/zinc/82/50/05/718825005.db2.gz KFJQGQZGGUFJEF-ZBFHGGJFSA-N 1 0 380.826 2.909 20 0 GFADRO CSCc1nc2sc3c(c2c(N2CCN4CC[NH2+]C[C@@H]4C2)n1)CCCC3 ZINC001164402791 718840026 /nfs/dbraw/zinc/84/00/26/718840026.db2.gz HMQIAKAIIYHREP-CYBMUJFWSA-N 1 0 389.594 2.527 20 0 GFADRO Cc1ccc(-c2cc(C(F)(F)N3C[C@H]4C[NH2+]C[C@@]4(CO)C3)c(Cl)nn2)cc1 ZINC001164403152 718854925 /nfs/dbraw/zinc/85/49/25/718854925.db2.gz HQTLHCFHGOOOGV-KDOFPFPSSA-N 1 0 394.853 2.668 20 0 GFADRO FC(F)(c1ccc2c(Cl)nc(Cl)nc2c1)N1CCOCC12C[NH2+]C2 ZINC001164402653 718860520 /nfs/dbraw/zinc/86/05/20/718860520.db2.gz KGFYQHGLNWPXEE-UHFFFAOYSA-N 1 0 375.206 2.660 20 0 GFADRO COc1cccc(-c2cc(C(F)(F)N3CCOCC34C[NH2+]C4)c(Cl)nn2)c1 ZINC001164407617 718861041 /nfs/dbraw/zinc/86/10/41/718861041.db2.gz ZFFJNQQHAZRBAW-UHFFFAOYSA-N 1 0 396.825 2.529 20 0 GFADRO Fc1ccccc1-c1cc(C(F)(F)N2CCOCC23C[NH2+]C3)c(Cl)nn1 ZINC001164404841 718861106 /nfs/dbraw/zinc/86/11/06/718861106.db2.gz QLKVGLUGBRYTSG-UHFFFAOYSA-N 1 0 384.789 2.660 20 0 GFADRO FC(F)(c1cc(Cl)cnc1Cl)N1CCCO[C@]2(C[NH2+]CCOC2)C1 ZINC001164421117 718912682 /nfs/dbraw/zinc/91/26/82/718912682.db2.gz PADFZMLKTBMNHC-CQSZACIVSA-N 1 0 382.238 2.519 20 0 GFADRO CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@@H]2N1C(F)(F)c1ccc(SC)c(Cl)n1 ZINC001164617766 719015296 /nfs/dbraw/zinc/01/52/96/719015296.db2.gz PDMCDFJOFRFIEI-VWYCJHECSA-N 1 0 391.871 2.732 20 0 GFADRO CN(C)c1nc(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)nc2nc[nH]c21 ZINC001164625033 719084469 /nfs/dbraw/zinc/08/44/69/719084469.db2.gz MOWQAZYJIMXRHW-SJORKVTESA-N 1 0 377.496 2.520 20 0 GFADRO CON(C)C(=O)c1cccnc1N1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001164628132 719090461 /nfs/dbraw/zinc/09/04/61/719090461.db2.gz MCNFDUGRKSBSCC-QUCCMNQESA-N 1 0 380.492 2.816 20 0 GFADRO Cc1sc2nc(CN3CCOCC3)nc(N3C[C@H](C)[N@@H+](C)C[C@@H]3C)c2c1C ZINC001164631337 719236399 /nfs/dbraw/zinc/23/63/99/719236399.db2.gz DAXAGUXDMLUSAO-KBPBESRZSA-N 1 0 389.569 2.669 20 0 GFADRO O=C(CC1CC1)N[C@@H]1CN(c2ccc(C[NH+]3CCCC3)cn2)C[C@H]2CCCO[C@@H]21 ZINC001164652190 719325812 /nfs/dbraw/zinc/32/58/12/719325812.db2.gz CBYKQGZPCABDFW-VIZSFHNOSA-N 1 0 398.551 2.578 20 0 GFADRO C[N@@H+]1CCO[C@@H]2CN(c3ncnc4cc(OCc5ccccc5)ccc43)C[C@H]21 ZINC001164669450 719478965 /nfs/dbraw/zinc/47/89/65/719478965.db2.gz UYVWOXMBDPCASQ-NHCUHLMSSA-N 1 0 376.460 2.728 20 0 GFADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2cc(C(N)=O)cc(C)n2)CC3)cs1 ZINC001164700588 719816763 /nfs/dbraw/zinc/81/67/63/719816763.db2.gz KUEBEIGQZXEINT-UHFFFAOYSA-N 1 0 385.537 2.889 20 0 GFADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3[C@@H]2CC(=O)N3c2cnn(C)c2)nc1 ZINC001164712466 720076341 /nfs/dbraw/zinc/07/63/41/720076341.db2.gz QBEHZDHOCYKQGN-AQNXPRMDSA-N 1 0 394.523 2.746 20 0 GFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(Cl)nc3ncccc31)C2 ZINC001164805945 720084036 /nfs/dbraw/zinc/08/40/36/720084036.db2.gz BGQPIGLRPJHINQ-FOIQADDNSA-N 1 0 387.915 2.863 20 0 GFADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cnc3cc[nH]c3n1)CC2 ZINC001164709663 720093808 /nfs/dbraw/zinc/09/38/08/720093808.db2.gz BZNCYFSYRJZOBR-SFHVURJKSA-N 1 0 392.507 2.860 20 0 GFADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1ccc(-c3ccco3)nn1)CCC2 ZINC001164814024 720240475 /nfs/dbraw/zinc/24/04/75/720240475.db2.gz TYTAAGYYTXHFJE-UHFFFAOYSA-N 1 0 394.479 2.544 20 0 GFADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2cnc3ccccc3n2)CC1 ZINC001164819244 720295139 /nfs/dbraw/zinc/29/51/39/720295139.db2.gz CYMXFTUUNKOXBQ-VQTJNVASSA-N 1 0 379.508 2.541 20 0 GFADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2cnc3ccccc3n2)CC1 ZINC001164819245 720295782 /nfs/dbraw/zinc/29/57/82/720295782.db2.gz CYMXFTUUNKOXBQ-WOJBJXKFSA-N 1 0 379.508 2.541 20 0 GFADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2cc(Cl)ncc2F)CC1 ZINC001164826617 720315928 /nfs/dbraw/zinc/31/59/28/720315928.db2.gz VWXBQNFVCQRNDT-HZPDHXFCSA-N 1 0 380.895 2.786 20 0 GFADRO CC(=O)NC[C@@H]1c2ncn(C(C)C)c2CCN1c1ccc(C[NH+]2CCCC2)cn1 ZINC001164724619 720316024 /nfs/dbraw/zinc/31/60/24/720316024.db2.gz SCZHUWRZMXGJFE-HXUWFJFHSA-N 1 0 396.539 2.695 20 0 GFADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2ncc3cc(F)ccc3n2)CC1 ZINC001164832475 720330405 /nfs/dbraw/zinc/33/04/05/720330405.db2.gz UBAPQEHQVGQJNS-UXHICEINSA-N 1 0 397.498 2.680 20 0 GFADRO Cc1cc2ncnc(N3CC[C@@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)c2s1 ZINC001164829020 720332626 /nfs/dbraw/zinc/33/26/26/720332626.db2.gz LHAJMZSUVFLGDP-ZWKOTPCHSA-N 1 0 399.564 2.911 20 0 GFADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2ccc3ncc(F)cc3n2)CC1 ZINC001164823965 720333521 /nfs/dbraw/zinc/33/35/21/720333521.db2.gz CGSKXTFCMXSRQC-PMACEKPBSA-N 1 0 397.498 2.680 20 0 GFADRO C[NH+](C)C[C@H]1Cn2ccnc2CN(c2nnc(Cl)cc2-c2ccncc2)C1 ZINC001164727639 720508152 /nfs/dbraw/zinc/50/81/52/720508152.db2.gz CNKYSFSSICFBHM-AWEZNQCLSA-N 1 0 383.887 2.587 20 0 GFADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3nc(Cl)ncc3F)CC[C@@H]21 ZINC001164832897 720508514 /nfs/dbraw/zinc/50/85/14/720508514.db2.gz BTSHSAPMNWTOGU-YCPHGPKFSA-N 1 0 378.883 2.843 20 0 GFADRO CCOC(=O)c1cccnc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164837895 720511546 /nfs/dbraw/zinc/51/15/46/720511546.db2.gz QMJUNSMCXGTZHE-CMKODMSKSA-N 1 0 397.523 2.833 20 0 GFADRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(c2nc(Cl)ccc2CN2CCCC2)C1 ZINC001164727497 720517557 /nfs/dbraw/zinc/51/75/57/720517557.db2.gz HPRQGPAXZSMMLV-MRXNPFEDSA-N 1 0 388.947 2.725 20 0 GFADRO COc1ccc(-c2ccc(N3Cc4nccn4C[C@H](C[NH+](C)C)C3)nn2)cc1 ZINC001164734195 720523253 /nfs/dbraw/zinc/52/32/53/720523253.db2.gz NRHIKLZAHWTXIF-INIZCTEOSA-N 1 0 378.480 2.547 20 0 GFADRO Cc1cc2ncnc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cccn5)[N@H+]4C(C)C)C3)c2[nH]1 ZINC001164834043 720559249 /nfs/dbraw/zinc/55/92/49/720559249.db2.gz CJRPTKSGCJAXBZ-JENIJYKNSA-N 1 0 379.512 2.841 20 0 GFADRO Clc1nc2c(nc1N1CCc3ncc(C[NH+]4CCCC4)n3CC1)CCCC2 ZINC001164740737 720596069 /nfs/dbraw/zinc/59/60/69/720596069.db2.gz ITHBOKOZLYNZFE-UHFFFAOYSA-N 1 0 386.931 2.864 20 0 GFADRO CC(C)[N@H+]1[C@@H]2CCN(c3cc(-c4nnco4)ccn3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164837793 720618985 /nfs/dbraw/zinc/61/89/85/720618985.db2.gz JMJZXZIAKAUQNI-GBESFXJTSA-N 1 0 393.495 2.706 20 0 GFADRO CC(C)Oc1nccnc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164844121 720628128 /nfs/dbraw/zinc/62/81/28/720628128.db2.gz YUTLPAQGJAQNNU-GBESFXJTSA-N 1 0 384.528 2.838 20 0 GFADRO COc1ccc2nc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)cc(C)c2c1 ZINC001164737554 720697669 /nfs/dbraw/zinc/69/76/69/720697669.db2.gz GCRILHPTSMHLPV-AEFFLSMTSA-N 1 0 391.475 2.684 20 0 GFADRO CNC(=O)c1cccnc1N1CCC2(C[C@H]([N@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164844546 720701361 /nfs/dbraw/zinc/70/13/61/720701361.db2.gz TZZZVMDOLJQYJL-IBGZPJMESA-N 1 0 394.519 2.701 20 0 GFADRO FC(F)(c1cnnc(Cl)c1)N1CCCn2cnc(C[NH2+]C3CCC3)c2C1 ZINC001164838634 720739209 /nfs/dbraw/zinc/73/92/09/720739209.db2.gz UQTBXUVRRAWTQQ-UHFFFAOYSA-N 1 0 382.846 2.924 20 0 GFADRO c1ncn(C[C@@H]2C[C@@H]3CN(c4cc5ccccc5nn4)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164744480 720829930 /nfs/dbraw/zinc/82/99/30/720829930.db2.gz UNWKGCOKZSXDFT-SVFBPWRDSA-N 1 0 389.507 2.601 20 0 GFADRO COCC[N@@H+]1CCO[C@@H]2CN(c3nc(Cl)nc4sc(C)cc43)CC[C@@H]2C1 ZINC001164856536 720847131 /nfs/dbraw/zinc/84/71/31/720847131.db2.gz WTRDHPADTZSHTC-UKRRQHHQSA-N 1 0 396.944 2.827 20 0 GFADRO CCc1nc(Cl)c(N2CC[C@H]3C[N@H+](CCOC)CCO[C@H]3C2)c(Cl)n1 ZINC001164852828 720879829 /nfs/dbraw/zinc/87/98/29/720879829.db2.gz AAARSAGQVMCKNB-STQMWFEESA-N 1 0 389.327 2.519 20 0 GFADRO COc1cnc(SC)nc1N1CCn2c(C[N@H+](C)C(C)C)cnc2[C@@H]1C ZINC001164860755 720927903 /nfs/dbraw/zinc/92/79/03/720927903.db2.gz SOWAZBHKLXZGOR-ZDUSSCGKSA-N 1 0 376.530 2.825 20 0 GFADRO CSc1nc(Cl)cc(N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@H]3C2)n1 ZINC001164770201 721074908 /nfs/dbraw/zinc/07/49/08/721074908.db2.gz PDJJHLLEOYIYEF-KBPBESRZSA-N 1 0 378.933 2.544 20 0 GFADRO COc1ccc2c(c1)ncnc2N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164866660 721089439 /nfs/dbraw/zinc/08/94/39/721089439.db2.gz UPOSBOBHCWNXQC-MJGOQNOKSA-N 1 0 391.475 2.513 20 0 GFADRO COc1nc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)nc2ccccc21 ZINC001164865171 721100119 /nfs/dbraw/zinc/10/01/19/721100119.db2.gz JJNXETZVLKEZGD-QZTJIDSGSA-N 1 0 391.475 2.513 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4cc(Cl)nc5ncccc45)C[C@@H]3C2)cn1 ZINC001164764065 721117961 /nfs/dbraw/zinc/11/79/61/721117961.db2.gz GSDSTEUGWWUXOV-HOTGVXAUSA-N 1 0 382.899 2.975 20 0 GFADRO CCOc1cc(Cl)nc(N2C[C@@H]3C[N@@H+](Cc4cnn(C)c4)CC[C@@H]3C2)c1 ZINC001164772250 721122058 /nfs/dbraw/zinc/12/20/58/721122058.db2.gz UTOVTKCIVCNYGI-CVEARBPZSA-N 1 0 375.904 2.826 20 0 GFADRO Cc1cc(C(F)(F)N2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)c(Cl)nn1 ZINC001164769177 721205135 /nfs/dbraw/zinc/20/51/35/721205135.db2.gz LVCNKFHXRANJQJ-LSDHHAIUSA-N 1 0 396.873 2.675 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4cc(-c5cccs5)ncn4)C[C@H]3C2)cn1 ZINC001164771805 721210274 /nfs/dbraw/zinc/21/02/74/721210274.db2.gz QTUXXMIWQGEEOR-IAGOWNOFSA-N 1 0 380.521 2.897 20 0 GFADRO Cc1cc(N2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)nc(-c2ccco2)n1 ZINC001164763286 721215198 /nfs/dbraw/zinc/21/51/98/721215198.db2.gz FDZIKARFNREQTL-ZWKOTPCHSA-N 1 0 378.480 2.737 20 0 GFADRO Cc1cc2nc(N3CC4(C3)CC[N@H+](CC3CC3)C4)nc(N3CCOCC3)c2s1 ZINC001164772532 721291677 /nfs/dbraw/zinc/29/16/77/721291677.db2.gz ISRDXAJUGYTBEM-UHFFFAOYSA-N 1 0 399.564 2.758 20 0 GFADRO Cc1nc(Cl)nc(N2CC[C@@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)c1C ZINC001164894042 721379755 /nfs/dbraw/zinc/37/97/55/721379755.db2.gz WMQGBSNSGGVKIF-FXAWDEMLSA-N 1 0 393.963 2.512 20 0 GFADRO Cc1nc(N2CC[C@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)ccc1Cl ZINC001164883517 721402806 /nfs/dbraw/zinc/40/28/06/721402806.db2.gz ALOPDCIKGKABTA-XLIONFOSSA-N 1 0 378.948 2.809 20 0 GFADRO CCc1nccnc1N1CCC2(C[C@H](COCC3CC3)[N@H+](CCOC)C2)CC1 ZINC001164783551 721458576 /nfs/dbraw/zinc/45/85/76/721458576.db2.gz DJWFCOGOJJECKS-LJQANCHMSA-N 1 0 388.556 2.773 20 0 GFADRO Fc1cccc(O[C@H]2C[C@@H]3CN(c4ncnc5cnc(F)cc54)CC[N@@H+]3C2)c1 ZINC001164898159 721523509 /nfs/dbraw/zinc/52/35/09/721523509.db2.gz ICQINNDSESJJFB-ZBFHGGJFSA-N 1 0 383.402 2.645 20 0 GFADRO CSc1nc(C)cc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)n1 ZINC001164795161 721525315 /nfs/dbraw/zinc/52/53/15/721525315.db2.gz KPGVUZOTWFJVHN-JENIJYKNSA-N 1 0 385.537 2.770 20 0 GFADRO C=C(OCC)c1ccc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)nn1 ZINC001164902996 721534016 /nfs/dbraw/zinc/53/40/16/721534016.db2.gz BQGOTYDLTBXMIW-PKOBYXMFSA-N 1 0 384.455 2.965 20 0 GFADRO Fc1cccc(O[C@H]2C[C@@H]3CN(c4cncc(N5CCCCC5)n4)CC[N@@H+]3C2)c1 ZINC001164902654 721546123 /nfs/dbraw/zinc/54/61/23/721546123.db2.gz AUSHPFJKQXAWMY-QUCCMNQESA-N 1 0 397.498 2.948 20 0 GFADRO CC(=O)Nc1c(C)ccnc1N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164909781 721549520 /nfs/dbraw/zinc/54/95/20/721549520.db2.gz RVDUMQRZDFOPMM-PKOBYXMFSA-N 1 0 384.455 2.829 20 0 GFADRO Cc1nc2ccc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@H]4OCCC[C@H]43)nc2n1C ZINC001164802204 721554436 /nfs/dbraw/zinc/55/44/36/721554436.db2.gz HRJOMEUAXRYPDY-DYXWJJEUSA-N 1 0 392.507 2.540 20 0 GFADRO CCN(CC)c1cc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)ncn1 ZINC001164808810 721567469 /nfs/dbraw/zinc/56/74/69/721567469.db2.gz VSCTZYSBFGCLEP-DXIQSLLYSA-N 1 0 396.539 2.586 20 0 GFADRO COc1cc(C)nc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)n1 ZINC001164905565 721701424 /nfs/dbraw/zinc/70/14/24/721701424.db2.gz JXZUJEGACRBNHL-IBGZPJMESA-N 1 0 389.450 2.926 20 0 GFADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2cc3c(Cl)ccnc3cn2)CC1 ZINC001165009424 721740748 /nfs/dbraw/zinc/74/07/48/721740748.db2.gz CNNVIJWSQCWXLW-UHFFFAOYSA-N 1 0 387.915 2.806 20 0 GFADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc(C(N)=O)cc(Cl)n3)C[C@H]21 ZINC001165018574 721801487 /nfs/dbraw/zinc/80/14/87/721801487.db2.gz BIYGROCVFRRNQF-ZTFGCOKTSA-N 1 0 399.926 2.966 20 0 GFADRO Cc1cnc2n1CCN(C)C21CCN(c2ncccc2C[NH+]2CCCC2)CC1 ZINC001164919557 721821238 /nfs/dbraw/zinc/82/12/38/721821238.db2.gz SQQJNLRDNPKMAZ-UHFFFAOYSA-N 1 0 380.540 2.623 20 0 GFADRO COC(=O)c1cccnc1N(C)C1CC[NH+](Cc2c(OC)cccc2OC)CC1 ZINC001165021278 721839080 /nfs/dbraw/zinc/83/90/80/721839080.db2.gz KNVBBICLZRJYDP-UHFFFAOYSA-N 1 0 399.491 2.986 20 0 GFADRO COCc1cc(N2CC[C@@H]3[C@H]2CC[N@@H+]3CCN(C)C)nc(-c2ccccc2)n1 ZINC001164930739 721850730 /nfs/dbraw/zinc/85/07/30/721850730.db2.gz SKSPBIOXFJQSIJ-WOJBJXKFSA-N 1 0 381.524 2.505 20 0 GFADRO C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2C(F)(F)c1nc(Cl)ncc1Cl ZINC001164928560 721854610 /nfs/dbraw/zinc/85/46/10/721854610.db2.gz OJTDNMYBIVGETH-VXGBXAGGSA-N 1 0 380.270 2.543 20 0 GFADRO CCOC(=O)c1cc(N2CC[C@H]3[C@@H]2CC[N@@H+]3CCN(C)C)nc2ccccc21 ZINC001164931799 721862054 /nfs/dbraw/zinc/86/20/54/721862054.db2.gz WFOZRMVKCUBIMU-PMACEKPBSA-N 1 0 382.508 2.626 20 0 GFADRO C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2c1ccc(C(=O)OCc2ccccc2)cn1 ZINC001164930565 721882370 /nfs/dbraw/zinc/88/23/70/721882370.db2.gz DFAMLWCOVLBAGG-SFTDATJTSA-N 1 0 394.519 2.653 20 0 GFADRO Fc1cccc(Cn2ccc3c2ncnc3N2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC001165037396 721911679 /nfs/dbraw/zinc/91/16/79/721911679.db2.gz GGRIZRLKMQWGDL-IBGZPJMESA-N 1 0 395.482 2.920 20 0 GFADRO CC(=O)N1CC[C@]2(c3ccccc3)CCN(c3cc(C[NH+](C)C)ccn3)C[C@@H]12 ZINC001164949396 721967597 /nfs/dbraw/zinc/96/75/97/721967597.db2.gz XMTSIZYGJPJXDF-GGAORHGYSA-N 1 0 378.520 2.912 20 0 GFADRO Nc1cc(Cl)cnc1N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164960750 722058855 /nfs/dbraw/zinc/05/88/55/722058855.db2.gz KJEPXBCIBUVCCC-UHFFFAOYSA-N 1 0 387.915 2.831 20 0 GFADRO CCOc1cccnc1N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164960705 722061486 /nfs/dbraw/zinc/06/14/86/722061486.db2.gz ILNVECRVSCUKEA-UHFFFAOYSA-N 1 0 382.508 2.994 20 0 GFADRO Nc1nc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)ccc1Cl ZINC001164966857 722061813 /nfs/dbraw/zinc/06/18/13/722061813.db2.gz YBJKICAHKDLNNP-UHFFFAOYSA-N 1 0 387.915 2.831 20 0 GFADRO Clc1ccc(CN2CCCC2)c(N2C[C@@H]3C[N@@H+](CC4CC4)C[C@H](C2)O3)n1 ZINC001164967095 722073059 /nfs/dbraw/zinc/07/30/59/722073059.db2.gz HUIYKBDYIQPFTO-HDICACEKSA-N 1 0 376.932 2.630 20 0 GFADRO c1ccc2nc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)cnc2c1 ZINC001164985786 722102724 /nfs/dbraw/zinc/10/27/24/722102724.db2.gz WPOCLGIIVOUQMI-WIYYLYMNSA-N 1 0 375.476 2.752 20 0 GFADRO Clc1ncnc2[nH]cc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)c21 ZINC001164980794 722103754 /nfs/dbraw/zinc/10/37/54/722103754.db2.gz KKRFQHNHJJLCMC-NVXWUHKLSA-N 1 0 398.898 2.685 20 0 GFADRO Fc1cnc2ccc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)nc2c1 ZINC001164977993 722135886 /nfs/dbraw/zinc/13/58/86/722135886.db2.gz JBYFIFZFXWOKQM-UTKZUKDTSA-N 1 0 393.466 2.891 20 0 GFADRO CCc1cc(CC)nc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164974608 722155826 /nfs/dbraw/zinc/15/58/26/722155826.db2.gz OHSWBQZQHLIFDY-NQIIRXRSSA-N 1 0 381.524 2.724 20 0 GFADRO Cc1cc2[nH]ccc2c(N2CC[C@@]3(C2)CN(c2cccc(F)c2)C(=O)CN3C)[nH+]1 ZINC001165007590 722265246 /nfs/dbraw/zinc/26/52/46/722265246.db2.gz ROWRMHAORLQPKO-JOCHJYFZSA-N 1 0 393.466 2.938 20 0 GFADRO C[C@H]1C[C@@H](CCNc2ncc(S(N)(=O)=O)s2)C[N@@H+]1Cc1ccccc1 ZINC000511596278 531794943 /nfs/dbraw/zinc/79/49/43/531794943.db2.gz IRKUUQJYUIKTLD-DZGCQCFKSA-N 1 0 380.539 2.503 20 0 GFADRO CC[NH+](CC)[C@H](CNC(=O)c1cnc2c(c1)c(C)nn2C)Cc1ccccc1 ZINC000056931921 222026769 /nfs/dbraw/zinc/02/67/69/222026769.db2.gz ZQINBNBYXHYPHF-IBGZPJMESA-N 1 0 379.508 2.960 20 0 GFADRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)c2ccc(I)c(O)c2)C1 ZINC000334045594 563651619 /nfs/dbraw/zinc/65/16/19/563651619.db2.gz XYUQKDQPGNRVHR-RYUDHWBXSA-N 1 0 388.249 2.599 20 0 GFADRO Cc1cc(F)c(Br)cc1NC(=O)NCCC[N@@H+](C)CCN(C)C ZINC000436507407 563672939 /nfs/dbraw/zinc/67/29/39/563672939.db2.gz FVBHTJHQKPZYIH-UHFFFAOYSA-N 1 0 389.313 2.902 20 0 GFADRO CCOc1c(Br)cc(C[NH2+]C2CCN(C(C)=O)CC2)cc1OC ZINC000017317063 551112979 /nfs/dbraw/zinc/11/29/79/551112979.db2.gz LIVRGDOZUDAYOC-UHFFFAOYSA-N 1 0 385.302 2.957 20 0 GFADRO C[C@@H]1C[N@H+](C(C)(C)CNC(=O)Cc2ccc(Br)cc2)C[C@H](C)O1 ZINC000021057146 551116397 /nfs/dbraw/zinc/11/63/97/551116397.db2.gz BSBHAYVWZRHDDL-OKILXGFUSA-N 1 0 383.330 2.996 20 0 GFADRO C[NH+](C)CCN(C1CCCC1)S(=O)(=O)c1ccc(Br)cc1 ZINC000040692140 551135016 /nfs/dbraw/zinc/13/50/16/551135016.db2.gz AHDGIAZDEZBRBB-UHFFFAOYSA-N 1 0 375.332 2.944 20 0 GFADRO C[NH+](C)Cc1cccc(NC(=O)C(=O)NCc2ccc(Br)s2)c1 ZINC000041951137 551136867 /nfs/dbraw/zinc/13/68/67/551136867.db2.gz VRRHTGXDOOAPAV-UHFFFAOYSA-N 1 0 396.310 2.827 20 0 GFADRO CC[NH+]1CCN(CCNC(=O)C2(c3ccc(Br)cc3)CCC2)CC1 ZINC000042591739 551139662 /nfs/dbraw/zinc/13/96/62/551139662.db2.gz OSZUAJYAZPBZIY-UHFFFAOYSA-N 1 0 394.357 2.625 20 0 GFADRO CN(Cc1ccccc1Br)C(=O)CN1CC[NH+](C2CCCC2)CC1 ZINC000045767457 551147928 /nfs/dbraw/zinc/14/79/28/551147928.db2.gz YPMKDOAQLOWPEJ-UHFFFAOYSA-N 1 0 394.357 2.968 20 0 GFADRO CCCNC(=O)[C@@H]1CCC[N@H+](C[C@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000050993790 551161416 /nfs/dbraw/zinc/16/14/16/551161416.db2.gz BAMQBXZLSVSYDD-HIFRSBDPSA-N 1 0 389.323 2.971 20 0 GFADRO CCCNC(=O)[C@H]1CCC[N@H+](C[C@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000050993792 551161863 /nfs/dbraw/zinc/16/18/63/551161863.db2.gz BAMQBXZLSVSYDD-ZFWWWQNUSA-N 1 0 389.323 2.971 20 0 GFADRO O=C(CN1CC[NH+](CCc2ccccc2)CC1)NCc1ccc(Cl)s1 ZINC000052325007 551164035 /nfs/dbraw/zinc/16/40/35/551164035.db2.gz QAMWEFVJFJIQAB-UHFFFAOYSA-N 1 0 377.941 2.878 20 0 GFADRO C[NH+]1CCN(c2ccc(NC(=O)c3cc(Br)ccc3O)nc2)CC1 ZINC000053744298 551167921 /nfs/dbraw/zinc/16/79/21/551167921.db2.gz WUOJLQHAMLGPMT-UHFFFAOYSA-N 1 0 391.269 2.554 20 0 GFADRO COc1ccc(C(=O)N(C)CC[N@H+](C)C2CCN(C)CC2)cc1Br ZINC000054758912 551170297 /nfs/dbraw/zinc/17/02/97/551170297.db2.gz KRZCCXZBZWTIGY-UHFFFAOYSA-N 1 0 398.345 2.556 20 0 GFADRO COc1ccc(Br)c(C(=O)N(C)CC[N@H+](C)C2CCN(C)CC2)c1 ZINC000054758916 551170454 /nfs/dbraw/zinc/17/04/54/551170454.db2.gz RQPIJVNCUKFMIS-UHFFFAOYSA-N 1 0 398.345 2.556 20 0 GFADRO C[NH+](C)CC1CCN(C(=O)[C@H]2CCCN2C(=O)c2ccc(Cl)s2)CC1 ZINC000056983265 551178735 /nfs/dbraw/zinc/17/87/35/551178735.db2.gz ZWLBECPAVVIKQW-CQSZACIVSA-N 1 0 383.945 2.806 20 0 GFADRO Cn1cc(CCC(=O)N(CC[NH+](C)C)Cc2ccc(Br)cc2)cn1 ZINC000056997061 551179292 /nfs/dbraw/zinc/17/92/92/551179292.db2.gz ZAXVORCWBXHUEH-UHFFFAOYSA-N 1 0 393.329 2.706 20 0 GFADRO COCC[N@H+](C)CCNC(=O)N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000067421277 551188890 /nfs/dbraw/zinc/18/88/90/551188890.db2.gz DOWUXPNMSYEXBL-INIZCTEOSA-N 1 0 390.311 2.655 20 0 GFADRO Cc1cc(NC(=O)NC[C@@H](O)C[NH+]2CCC(C)CC2)ccc1Br ZINC000067487518 551189539 /nfs/dbraw/zinc/18/95/39/551189539.db2.gz UWPIVGXEXUGAFD-OAHLLOKOSA-N 1 0 384.318 2.972 20 0 GFADRO CCCc1nc(CSCC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)cs1 ZINC000101585041 551197006 /nfs/dbraw/zinc/19/70/06/551197006.db2.gz UFTWQZFFUQJGEB-MRXNPFEDSA-N 1 0 385.599 2.802 20 0 GFADRO C[C@@H](C(=O)N1CCN(c2ccc(Br)cn2)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000101641418 551197398 /nfs/dbraw/zinc/19/73/98/551197398.db2.gz QVORUOOJPZTDQD-KFWWJZLASA-N 1 0 395.345 2.754 20 0 GFADRO O=C(c1ccc(I)cc1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000110317731 551203766 /nfs/dbraw/zinc/20/37/66/551203766.db2.gz YVQLTKLHIKMNBK-HNNXBMFYSA-N 1 0 384.261 2.992 20 0 GFADRO C[C@@H](Oc1ccccc1Br)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000112269869 551205654 /nfs/dbraw/zinc/20/56/54/551205654.db2.gz HZWSXPPIUZFZGB-CQSZACIVSA-N 1 0 390.281 2.960 20 0 GFADRO O=C(NCCCC[NH+]1CCOCC1)c1ccnc(SCC(F)(F)F)c1 ZINC000112629829 551206499 /nfs/dbraw/zinc/20/64/99/551206499.db2.gz BEXXTDLLQMYFIQ-UHFFFAOYSA-N 1 0 377.432 2.578 20 0 GFADRO O=C(c1cncc(I)c1)N1CCC[C@@H]([NH+]2CCCCC2)C1 ZINC000119432761 551216216 /nfs/dbraw/zinc/21/62/16/551216216.db2.gz VUILBUBUGUUNFZ-OAHLLOKOSA-N 1 0 399.276 2.777 20 0 GFADRO C[C@H](O)[C@H]1CCC[N@H+](C[C@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000120790613 551222308 /nfs/dbraw/zinc/22/23/08/551222308.db2.gz YJUVRBSBIQXYFB-OBJOEFQTSA-N 1 0 392.721 2.935 20 0 GFADRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)C(=O)Nc2cc(F)ccc2Br)C1 ZINC000120372237 551220621 /nfs/dbraw/zinc/22/06/21/551220621.db2.gz KAFGFGMZVQBETH-NEPJUHHUSA-N 1 0 386.265 2.516 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C(=O)N1CCC[N@@H+](C)CC1 ZINC000120394362 551220676 /nfs/dbraw/zinc/22/06/76/551220676.db2.gz GZWYSGOVIDMQCH-UHFFFAOYSA-N 1 0 377.286 2.721 20 0 GFADRO Cc1cc(NC(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)ccc1Br ZINC000120369984 551220705 /nfs/dbraw/zinc/22/07/05/551220705.db2.gz RENVTZRBJORTJY-CJNGLKHVSA-N 1 0 394.313 2.639 20 0 GFADRO Cc1cccc(NC(=O)C(=O)NC[C@H](C(C)C)[NH+]2CCCC2)c1Br ZINC000120971057 551223594 /nfs/dbraw/zinc/22/35/94/551223594.db2.gz BSWSQUXYLAJZMR-OAHLLOKOSA-N 1 0 396.329 2.933 20 0 GFADRO Cc1cc(C(=O)NC[C@H](C(C)C)[NH+]2CCN(C)CC2)ccc1Br ZINC000120997254 551224794 /nfs/dbraw/zinc/22/47/94/551224794.db2.gz KFTMCCTUJVFQQD-QGZVFWFLSA-N 1 0 382.346 2.759 20 0 GFADRO CCC[N@H+](C)C[C@H]1CCN(S(=O)(=O)Cc2ccc(Br)cc2)C1 ZINC000121083637 551226715 /nfs/dbraw/zinc/22/67/15/551226715.db2.gz DJZBKVDLUMNJNG-OAHLLOKOSA-N 1 0 389.359 2.943 20 0 GFADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2cccc(C)c2Br)C1 ZINC000121084598 551226704 /nfs/dbraw/zinc/22/67/04/551226704.db2.gz GPFFJMAIVYMIJC-AWEZNQCLSA-N 1 0 396.329 2.886 20 0 GFADRO Cc1cccc(NC(=O)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)c1Br ZINC000121141005 551227915 /nfs/dbraw/zinc/22/79/15/551227915.db2.gz AYMXQGDJUCXACH-LBPRGKRZSA-N 1 0 384.318 2.789 20 0 GFADRO C[NH2+]CCCNC(=O)c1ccc(OCc2cc(C)on2)c(Br)c1 ZINC000121716913 551240820 /nfs/dbraw/zinc/24/08/20/551240820.db2.gz PMLFPLLTYUSYCQ-UHFFFAOYSA-N 1 0 382.258 2.664 20 0 GFADRO C[C@@H](Oc1ccc(Cl)c(Cl)c1)C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000121770928 551242444 /nfs/dbraw/zinc/24/24/44/551242444.db2.gz DSZSLVVJSXOUSJ-UONOGXRCSA-N 1 0 388.339 2.760 20 0 GFADRO C[C@H](CNC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl)C[NH+]1CCN(C)CC1 ZINC000121929441 551292723 /nfs/dbraw/zinc/29/27/23/551292723.db2.gz GZEHHPFTRPYAPP-KGLIPLIRSA-N 1 0 388.339 2.760 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000122037795 551293605 /nfs/dbraw/zinc/29/36/05/551293605.db2.gz PAUVATGECPBVDK-XJKSGUPXSA-N 1 0 394.313 2.639 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)NCC(C)(C)C[NH+](C)C ZINC000122136333 551295003 /nfs/dbraw/zinc/29/50/03/551295003.db2.gz KKZHJUICGCCRPI-UHFFFAOYSA-N 1 0 384.318 2.708 20 0 GFADRO C[N@@H+]1CCC[C@@H]2CN(S(=O)(=O)c3ccc(F)c(C(F)(F)F)c3)CC[C@@H]21 ZINC000122471473 551298096 /nfs/dbraw/zinc/29/80/96/551298096.db2.gz DFBPLFDXZMCZPB-ABAIWWIYSA-N 1 0 380.407 2.949 20 0 GFADRO Cc1ccc(NC(=O)C(=O)NCC[N@H+]2CCCC[C@H]2C)cc1Br ZINC000123838744 551308696 /nfs/dbraw/zinc/30/86/96/551308696.db2.gz OJZBXEVBPVNYCW-CYBMUJFWSA-N 1 0 382.302 2.687 20 0 GFADRO Cc1cc(NC(=O)NC[C@H](c2cccs2)[NH+](C)C)ccc1S(C)(=O)=O ZINC000124438652 551314877 /nfs/dbraw/zinc/31/48/77/551314877.db2.gz LAKSEIYNCJQCLI-CQSZACIVSA-N 1 0 381.523 2.884 20 0 GFADRO CC[NH+]1CCN(CCC(=O)NCC(C)(C)c2ccccc2Br)CC1 ZINC000125700318 551323078 /nfs/dbraw/zinc/32/30/78/551323078.db2.gz APFMRYXIEDJHCO-UHFFFAOYSA-N 1 0 396.373 2.871 20 0 GFADRO C[C@H](NS(=O)(=O)Cc1ccc(OC(F)(F)F)cc1)C(C)(C)C[NH+](C)C ZINC000126090142 551325864 /nfs/dbraw/zinc/32/58/64/551325864.db2.gz BQKACELHKLPNRB-LBPRGKRZSA-N 1 0 382.448 2.981 20 0 GFADRO C[C@H](C[S@@](C)=O)[N@H+](C)C[C@H](O)COc1ccc(Cl)cc1Br ZINC000126577172 551331284 /nfs/dbraw/zinc/33/12/84/551331284.db2.gz JUPXPDMIKOHPON-XYQMPLONSA-N 1 0 398.750 2.541 20 0 GFADRO CN([C@@H]1CCC[N@H+](C)C1)S(=O)(=O)Cc1ccc(Cl)cc1Br ZINC000127346086 551340516 /nfs/dbraw/zinc/34/05/16/551340516.db2.gz STVPCPMKJQALHT-CYBMUJFWSA-N 1 0 395.750 2.958 20 0 GFADRO COc1cc([C@H](C)[NH2+]CC[S@@](=O)C(C)(C)C)ccc1S(=O)(=O)C(F)F ZINC000127442560 551340883 /nfs/dbraw/zinc/34/08/83/551340883.db2.gz ZPRBVWVVWNYSIJ-BUBHHJDNSA-N 1 0 397.509 2.889 20 0 GFADRO O=C(NCCc1ccc(F)c(Br)c1)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000127712846 551343495 /nfs/dbraw/zinc/34/34/95/551343495.db2.gz GFJGKXJJDJVKPN-ZDUSSCGKSA-N 1 0 384.293 2.914 20 0 GFADRO COCC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)Cc1ccc(Cl)cc1Cl ZINC000129346476 551356341 /nfs/dbraw/zinc/35/63/41/551356341.db2.gz YJXAZXGQKGKZIY-CQSZACIVSA-N 1 0 381.325 2.524 20 0 GFADRO CCC(=O)N1CSC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000129714086 551359180 /nfs/dbraw/zinc/35/91/80/551359180.db2.gz QLRLCSGIDVQGSK-VBQJREDUSA-N 1 0 381.567 2.559 20 0 GFADRO COc1sc(CN2CC[NH+](C3CCOCC3)CC2)cc1Br ZINC000129741759 551359834 /nfs/dbraw/zinc/35/98/34/551359834.db2.gz JMMPNYPZHANSPP-UHFFFAOYSA-N 1 0 375.332 2.816 20 0 GFADRO C[C@@H]([NH2+]Cc1cn2cc(Br)ccc2n1)c1ccc(-n2cnnn2)cc1 ZINC000130097882 551361645 /nfs/dbraw/zinc/36/16/45/551361645.db2.gz AWJCMEZFIUMBHL-GFCCVEGCSA-N 1 0 398.268 2.923 20 0 GFADRO C[C@@H](Cn1cc(Br)cn1)Nc1cccc(CN2CC[NH+](C)CC2)c1 ZINC000130290295 551362791 /nfs/dbraw/zinc/36/27/91/551362791.db2.gz UMMWESCWZKYYCV-HNNXBMFYSA-N 1 0 392.345 2.894 20 0 GFADRO Cc1ccc(OCCC(=O)Nc2cnn(CC[NH+](C)C)c2)c(Br)c1 ZINC000130351391 551363632 /nfs/dbraw/zinc/36/36/32/551363632.db2.gz VXTHKNHBLFBVCR-UHFFFAOYSA-N 1 0 395.301 2.923 20 0 GFADRO O=S(=O)(C1CCOCC1)N1CCC([NH2+]Cc2ccc(Cl)c(F)c2)CC1 ZINC000130599257 551366770 /nfs/dbraw/zinc/36/67/70/551366770.db2.gz ZJXACKWXCYMHGK-UHFFFAOYSA-N 1 0 390.908 2.542 20 0 GFADRO Cc1cc(C(=O)NC[C@@H]2CCCC[NH2+]2)nn1-c1ccc(Br)cc1 ZINC000130683831 551368166 /nfs/dbraw/zinc/36/81/66/551368166.db2.gz NGYLTWDPRSUZSP-AWEZNQCLSA-N 1 0 377.286 2.815 20 0 GFADRO Cc1cc(COc2ccc(C(=O)NCC[NH+](C)C)cc2Br)on1 ZINC000130788552 551369236 /nfs/dbraw/zinc/36/92/36/551369236.db2.gz UZLMBDKBLRLTDZ-UHFFFAOYSA-N 1 0 382.258 2.616 20 0 GFADRO CN(C[C@@H]1CC[N@H+](C)C1)C(=O)c1ccc(S(=O)(=O)c2ccccc2)s1 ZINC000131006957 551370887 /nfs/dbraw/zinc/37/08/87/551370887.db2.gz VVYYGLNRNANLGJ-CQSZACIVSA-N 1 0 378.519 2.605 20 0 GFADRO COc1cccc(C[NH2+]C[C@@H](O)COc2ccccc2Br)c1OC ZINC000131046435 551371306 /nfs/dbraw/zinc/37/13/06/551371306.db2.gz NPGKTVHREMSABZ-CQSZACIVSA-N 1 0 396.281 2.996 20 0 GFADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)S(=O)(=O)c1ccccn1 ZINC000131027805 551371664 /nfs/dbraw/zinc/37/16/64/551371664.db2.gz SEKMTTHWPILPGP-UHFFFAOYSA-N 1 0 398.326 2.597 20 0 GFADRO CCS(=O)(=O)N(C)CCC[NH2+][C@@H](C)c1ccc(Br)c(F)c1 ZINC000131149680 551372889 /nfs/dbraw/zinc/37/28/89/551372889.db2.gz BKEJYZOFFUYSPK-NSHDSACASA-N 1 0 381.311 2.910 20 0 GFADRO O[C@@H](C[NH2+]Cc1cc(Br)ccc1OC(F)F)COCC1CC1 ZINC000131575032 551375177 /nfs/dbraw/zinc/37/51/77/551375177.db2.gz LQFMQKLEABPQSA-ZDUSSCGKSA-N 1 0 380.229 2.928 20 0 GFADRO CC[C@@]1(C(=O)N[C@@H](C)c2cc3c(cc2Br)OCCO3)CCC[NH2+]1 ZINC000134427181 551385340 /nfs/dbraw/zinc/38/53/40/551385340.db2.gz JHYJMNNVIQZVKE-GTNSWQLSSA-N 1 0 383.286 2.930 20 0 GFADRO CC(C)(C)[N@@H+](Cc1ccccc1Br)C[C@H](O)CN1CCOCC1 ZINC000134865256 551386341 /nfs/dbraw/zinc/38/63/41/551386341.db2.gz UDDIGVHVPHIAOQ-MRXNPFEDSA-N 1 0 385.346 2.743 20 0 GFADRO C[C@H]1C[C@H](N(C)C(=O)c2ccc(Br)cc2-n2cncn2)CC[N@@H+]1C ZINC000135652710 551388496 /nfs/dbraw/zinc/38/84/96/551388496.db2.gz FEIGAMOYYFQQTP-GXTWGEPZSA-N 1 0 392.301 2.585 20 0 GFADRO O=C(NC1CC[NH+](CCOc2ccc(Br)cc2)CC1)c1ccon1 ZINC000136695408 551390036 /nfs/dbraw/zinc/39/00/36/551390036.db2.gz JNORTKCPXWGPMV-UHFFFAOYSA-N 1 0 394.269 2.710 20 0 GFADRO C[C@@H](c1ccccc1Br)[N@@H+]1CCC[C@H](CNS(C)(=O)=O)C1 ZINC000139828560 551392587 /nfs/dbraw/zinc/39/25/87/551392587.db2.gz YUNIQLZGQCQGAS-QWHCGFSZSA-N 1 0 375.332 2.771 20 0 GFADRO COCC[NH+]1CCC(NC(=O)CCOc2cccc(Cl)c2Cl)CC1 ZINC000141363356 551394401 /nfs/dbraw/zinc/39/44/01/551394401.db2.gz HOSKHXSNYJDBSD-UHFFFAOYSA-N 1 0 375.296 2.989 20 0 GFADRO [NH3+]Cc1ccc(C(=O)N2CCN(C(=O)c3cc(Cl)cc(Cl)c3)CC2)o1 ZINC000150926145 551404401 /nfs/dbraw/zinc/40/44/01/551404401.db2.gz FRVLSVPMNOPKKR-UHFFFAOYSA-N 1 0 382.247 2.643 20 0 GFADRO C[NH2+][C@@H]1CCCN(C(=O)CCC[S@](=O)c2ccc(Br)cc2)C1 ZINC000150979493 551404934 /nfs/dbraw/zinc/40/49/34/551404934.db2.gz SMOMLHXDCWKLRI-JLCFBVMHSA-N 1 0 387.343 2.547 20 0 GFADRO C[NH2+][C@@H]1CCCN(C(=O)C2(c3ccc(Br)cc3)CCOCC2)C1 ZINC000150993209 551405396 /nfs/dbraw/zinc/40/53/96/551405396.db2.gz GNERNBIAWJBMAA-MRXNPFEDSA-N 1 0 381.314 2.708 20 0 GFADRO Cn1cc(C(=O)NCC2CC[NH+](Cc3cccc(Br)c3)CC2)cn1 ZINC000151079902 551407021 /nfs/dbraw/zinc/40/70/21/551407021.db2.gz BWHQSMOZSLIGNI-UHFFFAOYSA-N 1 0 391.313 2.825 20 0 GFADRO CC(=O)N[C@@H](CC(=O)N(C)[C@@H]1CCC[N@H+](C)C1)c1ccc(Br)cc1 ZINC000151198108 551408787 /nfs/dbraw/zinc/40/87/87/551408787.db2.gz NHSOCOIBSORCIL-SJORKVTESA-N 1 0 396.329 2.569 20 0 GFADRO CC(C)COC[C@H](O)C[NH2+][C@H](C)CC(=O)Nc1cccc(Br)c1 ZINC000151409686 551412873 /nfs/dbraw/zinc/41/28/73/551412873.db2.gz FBBISSTXGVTFLY-CZUORRHYSA-N 1 0 387.318 2.789 20 0 GFADRO O=C(c1ccc(F)c(I)c1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000151785638 551420938 /nfs/dbraw/zinc/42/09/38/551420938.db2.gz JVKOTMJFBVECLF-LBPRGKRZSA-N 1 0 388.224 2.741 20 0 GFADRO CCO[C@@H](CC[NH+](C)C)CNC(=O)Nc1ccc(Br)c(OC)c1 ZINC000151857415 551422569 /nfs/dbraw/zinc/42/25/69/551422569.db2.gz KQYVHFUSLDNBJE-ZDUSSCGKSA-N 1 0 388.306 2.936 20 0 GFADRO CC[N@H+](CCNC(=O)c1ccc(OC)c(I)c1)C1CC1 ZINC000152172213 551428120 /nfs/dbraw/zinc/42/81/20/551428120.db2.gz NYZFQJPHEZAZSR-UHFFFAOYSA-N 1 0 388.249 2.514 20 0 GFADRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)N(C)Cc2cc(Br)cn2C)C1 ZINC000152258279 551429551 /nfs/dbraw/zinc/42/95/51/551429551.db2.gz FZCBVFRVCTWRSH-CQSZACIVSA-N 1 0 385.350 2.907 20 0 GFADRO CN(CC1CC[NH+](C)CC1)C(=O)c1ccc(F)c(I)c1 ZINC000152448996 551433099 /nfs/dbraw/zinc/43/30/99/551433099.db2.gz WDJACSIIABPPPK-UHFFFAOYSA-N 1 0 390.240 2.844 20 0 GFADRO CN(CC(=O)N(C)Cc1ccccc1Br)C[C@H]1CCC[N@H+](C)C1 ZINC000152466834 551433561 /nfs/dbraw/zinc/43/35/61/551433561.db2.gz VOXXDAXHBMGYKV-HNNXBMFYSA-N 1 0 382.346 2.681 20 0 GFADRO C[C@@H]1CCC[N@@H+]1C1CCN(C(=O)c2cc(Br)cnc2N(C)C)CC1 ZINC000152580329 551436113 /nfs/dbraw/zinc/43/61/13/551436113.db2.gz DRVVRQQAFOTFTC-CYBMUJFWSA-N 1 0 395.345 2.999 20 0 GFADRO C[C@H](NC(=O)N(C)[C@@H](C)c1ccccc1Br)[C@@H]1CN(C)CCO1 ZINC000152757261 551439181 /nfs/dbraw/zinc/43/91/81/551439181.db2.gz FUBGSHAVQPKYHO-XEZPLFJOSA-N 1 0 384.318 2.871 20 0 GFADRO C[C@@H](NC(=O)N1CCC([N@H+](C)CCCO)CC1)c1cccc(Br)c1 ZINC000153411212 551452253 /nfs/dbraw/zinc/45/22/53/551452253.db2.gz AACLATTZIJZKHR-CQSZACIVSA-N 1 0 398.345 2.998 20 0 GFADRO C[NH+](C)CCN(Cc1cccc(O)c1)C(=O)c1ccc(Br)nc1 ZINC000153558454 551455652 /nfs/dbraw/zinc/45/56/52/551455652.db2.gz SSBCFILXNYXZCY-UHFFFAOYSA-N 1 0 378.270 2.754 20 0 GFADRO CS(=O)(=O)c1cc(C(=O)N2CCC[C@@H]([NH2+]Cc3ccccc3)C2)cs1 ZINC000153568911 551456091 /nfs/dbraw/zinc/45/60/91/551456091.db2.gz QQVNQRXLRHEAMI-MRXNPFEDSA-N 1 0 378.519 2.546 20 0 GFADRO Cc1ccc(Br)c(NC(=O)C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1 ZINC000153899661 551462672 /nfs/dbraw/zinc/46/26/72/551462672.db2.gz SQVFLAMFFXWTHC-AGUYFDCRSA-N 1 0 394.313 2.828 20 0 GFADRO Cc1cc(C(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)nn1-c1ccc(Br)cc1 ZINC000153987711 551465067 /nfs/dbraw/zinc/46/50/67/551465067.db2.gz AOSXVAHFEFRUAE-TXEJJXNPSA-N 1 0 377.286 2.766 20 0 GFADRO O=C1C[C@@H]([C@@H]2CCCC[N@H+]2Cc2cc(Br)cc3c2OCC3)CN1 ZINC000154044284 551465896 /nfs/dbraw/zinc/46/58/96/551465896.db2.gz WAMBAVVRJSLGAA-CJNGLKHVSA-N 1 0 379.298 2.875 20 0 GFADRO C[C@@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH2+]C[C@H](O)CN(C)C ZINC000154345264 551472904 /nfs/dbraw/zinc/47/29/04/551472904.db2.gz JDYTUCUMVQKHLX-JQWIXIFHSA-N 1 0 381.826 2.588 20 0 GFADRO CCN(CC)S(=O)(=O)CC[NH2+][C@H](C)c1sc(-c2cccnc2)nc1C ZINC000154793111 551483112 /nfs/dbraw/zinc/48/31/12/551483112.db2.gz UTIYMHWLXOSKKP-CYBMUJFWSA-N 1 0 382.555 2.836 20 0 GFADRO OCCCOC1CC[NH+](C[C@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000154920922 551485910 /nfs/dbraw/zinc/48/59/10/551485910.db2.gz GOJWJFWTJWNPHW-AWEZNQCLSA-N 1 0 378.296 2.597 20 0 GFADRO Cc1sc(Br)cc1S(=O)(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000155281516 551496247 /nfs/dbraw/zinc/49/62/47/551496247.db2.gz NMZVMUICYXSYLW-KOLCDFICSA-N 1 0 381.361 2.922 20 0 GFADRO C[C@@H](Cc1ccc(Br)cc1)C(=O)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000156182551 551516377 /nfs/dbraw/zinc/51/63/77/551516377.db2.gz SPSJWSALDPJFRD-DOTOQJQBSA-N 1 0 395.341 2.808 20 0 GFADRO CN(C[C@H]1CCC[N@H+](C)C1)S(=O)(=O)c1cc(F)ccc1Br ZINC000156209234 551517163 /nfs/dbraw/zinc/51/71/63/551517163.db2.gz MVEALMLUXLYSNQ-NSHDSACASA-N 1 0 379.295 2.551 20 0 GFADRO COC(=O)Cn1cc(CC[N@@H+]2CCC[C@@H]2c2ccc(Br)cc2)nn1 ZINC000156265581 551518936 /nfs/dbraw/zinc/51/89/36/551518936.db2.gz SNXXNWLQNCXIPN-MRXNPFEDSA-N 1 0 393.285 2.593 20 0 GFADRO COc1ccc(C[N@H+](C)C[C@@H]2CCN(C(C)=O)C2)c(Br)c1OC ZINC000156539839 551524440 /nfs/dbraw/zinc/52/44/40/551524440.db2.gz YIBBHCBADXBVTK-ZDUSSCGKSA-N 1 0 385.302 2.767 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)[C@@H]2CCN(c3cc(Cl)cc(Cl)c3)C2=O)C1 ZINC000156550659 551524619 /nfs/dbraw/zinc/52/46/19/551524619.db2.gz ZVYSIWQUWOODCD-OZVIIMIRSA-N 1 0 384.307 2.932 20 0 GFADRO C[C@@H]1CCCN(C(=O)c2cnn(-c3cccc(Br)c3)c2)[C@H]1C[NH3+] ZINC000156668665 551526553 /nfs/dbraw/zinc/52/65/53/551526553.db2.gz IHEXPGSUPVOUJT-WBMJQRKESA-N 1 0 377.286 2.834 20 0 GFADRO O=C(N[C@H]1CC[N@H+](CC2CC2)C1)c1c(F)cccc1I ZINC000156813152 551528767 /nfs/dbraw/zinc/52/87/67/551528767.db2.gz UVYISGIRWRIVAY-NSHDSACASA-N 1 0 388.224 2.644 20 0 GFADRO CCS(=O)(=O)N(C)CCC[NH2+][C@H](C)c1ccc(OC)c(Br)c1 ZINC000156871113 551529080 /nfs/dbraw/zinc/52/90/80/551529080.db2.gz CXJOPIUEIGXEJC-GFCCVEGCSA-N 1 0 393.347 2.780 20 0 GFADRO Cc1cccc(S(=O)(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)c1Br ZINC000156911476 551530569 /nfs/dbraw/zinc/53/05/69/551530569.db2.gz CIZRCJOBSWYKOA-KBPBESRZSA-N 1 0 387.343 2.862 20 0 GFADRO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NCCNc1ncc(Cl)cc1Cl ZINC000157281355 551536072 /nfs/dbraw/zinc/53/60/72/551536072.db2.gz TUDKGTVWAPKVHD-HNNXBMFYSA-N 1 0 389.327 2.710 20 0 GFADRO CC[NH+]1CCC(N(C)CCS(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000157477761 551537913 /nfs/dbraw/zinc/53/79/13/551537913.db2.gz HEYSIPSBVJHWJE-UHFFFAOYSA-N 1 0 389.359 2.639 20 0 GFADRO Cc1n[nH]c(C)c1S(=O)(=O)N1CCC([NH2+]Cc2ccc(Cl)cc2)CC1 ZINC000157477814 551538201 /nfs/dbraw/zinc/53/82/01/551538201.db2.gz HDPNTLCQBIXZRS-UHFFFAOYSA-N 1 0 382.917 2.623 20 0 GFADRO Cc1cc(COc2ccc(C(=O)N3CCC[C@H]([NH3+])C3)cc2Br)on1 ZINC000157742987 551542385 /nfs/dbraw/zinc/54/23/85/551542385.db2.gz ASANIENLNHGSQB-ZDUSSCGKSA-N 1 0 394.269 2.888 20 0 GFADRO C[N@H+](C[C@H](O)COC[C@@H]1CCCO1)CC1(c2ccc(Br)cc2)CC1 ZINC000158096937 551546647 /nfs/dbraw/zinc/54/66/47/551546647.db2.gz RSTXXMVGPAMZOQ-ROUUACIJSA-N 1 0 398.341 2.969 20 0 GFADRO C[C@H]([NH2+]C[C@@H](O)COc1ccc(I)cc1)c1ccccn1 ZINC000158967912 551559409 /nfs/dbraw/zinc/55/94/09/551559409.db2.gz PEDPPCOIACBYKL-GXTWGEPZSA-N 1 0 398.244 2.777 20 0 GFADRO C[C@@H](NC(=O)N1CCC([N@H+](C)CCO)CC1)c1cccc(Br)c1 ZINC000161785968 551598348 /nfs/dbraw/zinc/59/83/48/551598348.db2.gz DSLHLDWJBXWLFR-CYBMUJFWSA-N 1 0 384.318 2.608 20 0 GFADRO CNC(=O)CC[NH2+]Cc1cc(Br)ccc1OCc1ccccn1 ZINC000161805160 551599060 /nfs/dbraw/zinc/59/90/60/551599060.db2.gz WIIPIHUYPUEUCM-UHFFFAOYSA-N 1 0 378.270 2.649 20 0 GFADRO CC(C)[NH+]1CCC(NC(=O)C(=O)Nc2cc(F)ccc2Br)CC1 ZINC000161795937 551599080 /nfs/dbraw/zinc/59/90/80/551599080.db2.gz SOKYVRVVYJPNSD-UHFFFAOYSA-N 1 0 386.265 2.516 20 0 GFADRO Cc1c(C(=O)N(C)CC[C@@H]([NH3+])C(C)C)nnn1-c1cccc(Br)c1 ZINC000161923296 551600467 /nfs/dbraw/zinc/60/04/67/551600467.db2.gz QJZUAIYRDFTQPA-OAHLLOKOSA-N 1 0 394.317 2.784 20 0 GFADRO C[N@@H+]1CCCN(C(=O)C(=O)Nc2cccc(Cl)c2SCC(F)F)CC1 ZINC000162003827 551601949 /nfs/dbraw/zinc/60/19/49/551601949.db2.gz QQWKZJBUYCINND-UHFFFAOYSA-N 1 0 391.871 2.800 20 0 GFADRO C[N@H+](CCNS(=O)(=O)c1ccc(Br)cc1F)C1CCCC1 ZINC000162038944 551602615 /nfs/dbraw/zinc/60/26/15/551602615.db2.gz XVBRCXONDSVUNW-UHFFFAOYSA-N 1 0 379.295 2.741 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H](NC(=O)c2nn(-c3ccc(F)cc3)cc2Br)C1 ZINC000162282513 551606039 /nfs/dbraw/zinc/60/60/39/551606039.db2.gz SKXOXCRRFMIJLD-VXGBXAGGSA-N 1 0 381.249 2.774 20 0 GFADRO NC(=O)[C@@H]([NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCCC2)c1cccc(Br)c1 ZINC000162307227 551606708 /nfs/dbraw/zinc/60/67/08/551606708.db2.gz JTRSJUPMBBOSMM-VGWMRTNUSA-N 1 0 379.298 2.913 20 0 GFADRO O=S(=O)(Cc1ccon1)NCC[NH2+][C@H]1CCCCc2ccc(Cl)cc21 ZINC000162382494 551608127 /nfs/dbraw/zinc/60/81/27/551608127.db2.gz YUEHPEIUKSMRDT-KRWDZBQOSA-N 1 0 383.901 2.805 20 0 GFADRO O=S(=O)(C1CCOCC1)N1CCC([NH2+]Cc2ccc(F)c(Cl)c2)CC1 ZINC000162791577 551612585 /nfs/dbraw/zinc/61/25/85/551612585.db2.gz KOJWATBRXFAJQO-UHFFFAOYSA-N 1 0 390.908 2.542 20 0 GFADRO CC[N@@H+]1CCCN(C(=O)C(=O)Nc2ccc(Br)c(Cl)c2)CC1 ZINC000163234668 551617775 /nfs/dbraw/zinc/61/77/75/551617775.db2.gz TXZPIRGJBQKREG-UHFFFAOYSA-N 1 0 388.693 2.595 20 0 GFADRO CCN1CC[NH+](CCCCNC(=O)[C@H](O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000164071609 551623924 /nfs/dbraw/zinc/62/39/24/551623924.db2.gz AUQHPNRFNLNVDN-QGZVFWFLSA-N 1 0 388.339 2.561 20 0 GFADRO CC[C@H]([NH3+])C(=O)N1CCN(c2ccc(Br)cc2C(F)(F)F)CC1 ZINC000167284789 551633038 /nfs/dbraw/zinc/63/30/38/551633038.db2.gz YQXKXEKMPQRMJC-LBPRGKRZSA-N 1 0 394.235 2.854 20 0 GFADRO C[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(I)cc1Cl ZINC000170828269 551641210 /nfs/dbraw/zinc/64/12/10/551641210.db2.gz PKGZMSJMBNDQNA-JTQLQIEISA-N 1 0 378.641 2.769 20 0 GFADRO C[C@@H](C(=O)N(C)CC(=O)Nc1ccc(Br)cn1)[NH+]1[C@H](C)CC[C@H]1C ZINC000170739919 551638552 /nfs/dbraw/zinc/63/85/52/551638552.db2.gz ULRHAIQFJAACMQ-UPJWGTAASA-N 1 0 397.317 2.502 20 0 GFADRO C[C@@H](NC(=O)N1CC[C@H]([NH+](C)C)C1)c1cc2c(cc1Br)OCCO2 ZINC000170832504 551641014 /nfs/dbraw/zinc/64/10/14/551641014.db2.gz ISUMUIZMIAITTR-NEPJUHHUSA-N 1 0 398.301 2.627 20 0 GFADRO O=C(C1CC[NH+](CCOc2cc(Cl)ccc2Cl)CC1)N1CCOCC1 ZINC000171016275 551644701 /nfs/dbraw/zinc/64/47/01/551644701.db2.gz LUDUGAFJYJXERG-UHFFFAOYSA-N 1 0 387.307 2.943 20 0 GFADRO COCC[N@H+](C)CCNC(=O)[C@@H](C)Sc1ccc(Br)cc1 ZINC000171127915 551648062 /nfs/dbraw/zinc/64/80/62/551648062.db2.gz ATFJKXURMKZFKC-GFCCVEGCSA-N 1 0 375.332 2.624 20 0 GFADRO C[C@H](NC(=O)CN1CC[NH+](CC(C)(C)O)CC1)c1ccc(Cl)c(Cl)c1 ZINC000171153899 551648520 /nfs/dbraw/zinc/64/85/20/551648520.db2.gz VYWJPLICCHLYNG-ZDUSSCGKSA-N 1 0 388.339 2.559 20 0 GFADRO CC(C)[N@H+](C)CCNC(=O)N1CCO[C@H](c2cccc(Br)c2)C1 ZINC000171247267 551650847 /nfs/dbraw/zinc/65/08/47/551650847.db2.gz QUFHDFSSQLKOGK-INIZCTEOSA-N 1 0 384.318 2.872 20 0 GFADRO O=S(=O)(C[C@@H]1CCCO1)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000171601131 551659105 /nfs/dbraw/zinc/65/91/05/551659105.db2.gz SUHIJNSXQPBKIU-KRWDZBQOSA-N 1 0 386.945 2.650 20 0 GFADRO COCCC[NH+]1CCC(NC(=O)c2[nH]nc3ccc(Br)cc32)CC1 ZINC000171773861 551663276 /nfs/dbraw/zinc/66/32/76/551663276.db2.gz WJSHBDDKSRQYGR-UHFFFAOYSA-N 1 0 395.301 2.556 20 0 GFADRO CSc1ncc(Cl)c(C(=O)NCC2([NH+]3CCCCC3)CCOCC2)n1 ZINC000171884618 551666287 /nfs/dbraw/zinc/66/62/87/551666287.db2.gz AEWZKZHQBPZUMJ-UHFFFAOYSA-N 1 0 384.933 2.617 20 0 GFADRO CC[C@@H](Cc1cccc(Br)c1)C(=O)NCCC[NH+]1CCC(O)CC1 ZINC000172344334 551677190 /nfs/dbraw/zinc/67/71/90/551677190.db2.gz NOQLFEJKMODWJS-INIZCTEOSA-N 1 0 397.357 2.981 20 0 GFADRO O=C(c1cc2c(c(Br)c1)OCO2)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000172591339 551682569 /nfs/dbraw/zinc/68/25/69/551682569.db2.gz VWARBYKVXNISBX-GFCCVEGCSA-N 1 0 381.270 2.736 20 0 GFADRO O=S(=O)(Cc1cccc(C(F)(F)F)c1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000172667286 551684908 /nfs/dbraw/zinc/68/49/08/551684908.db2.gz GVDMLEOFRNJPCS-HNNXBMFYSA-N 1 0 376.444 2.953 20 0 GFADRO C[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(Cl)c(S(=O)(=O)N(C)C)c2)[C@@H]1C ZINC000172860514 551688214 /nfs/dbraw/zinc/68/82/14/551688214.db2.gz KEDPYNXATUVBLF-CHWSQXEVSA-N 1 0 387.933 2.649 20 0 GFADRO CC[NH+](CC)Cc1ccc(CNC(=O)c2c[nH]c(=O)c(Br)c2)cc1 ZINC000172976947 551691189 /nfs/dbraw/zinc/69/11/89/551691189.db2.gz IFYKQQWNNNCNIA-UHFFFAOYSA-N 1 0 392.297 2.909 20 0 GFADRO C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)c1cc(Br)ccc1O ZINC000173104146 551695951 /nfs/dbraw/zinc/69/59/51/551695951.db2.gz PVIXTVFUYCZNCA-UHFFFAOYSA-N 1 0 392.253 2.568 20 0 GFADRO CC[NH+](CC)C[C@@H]1CCN(S(=O)(=O)c2ccc(F)c(Br)c2)C1 ZINC000173204874 552079425 /nfs/dbraw/zinc/07/94/25/552079425.db2.gz VPFANHRWQYMMQE-LBPRGKRZSA-N 1 0 393.322 2.941 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2ccc(OC(F)(F)F)cc2)[C@H](C)C1 ZINC000173255599 552081226 /nfs/dbraw/zinc/08/12/26/552081226.db2.gz UBOBNDVVSQEQCZ-IUODEOHRSA-N 1 0 380.432 2.936 20 0 GFADRO C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC000173307368 552082653 /nfs/dbraw/zinc/08/26/53/552082653.db2.gz RMJLOJKKVIUZPQ-OAHLLOKOSA-N 1 0 394.357 2.996 20 0 GFADRO C[C@H]([NH2+]CC1CCN(S(C)(=O)=O)CC1)c1cccc(Br)c1 ZINC000173367389 552084579 /nfs/dbraw/zinc/08/45/79/552084579.db2.gz PKSSUDAKCPIIED-LBPRGKRZSA-N 1 0 375.332 2.771 20 0 GFADRO C[C@@H](C(=O)NCCCC[NH+]1CCOCC1)c1ccc(Br)s1 ZINC000173529410 552087240 /nfs/dbraw/zinc/08/72/40/552087240.db2.gz LFOMIIWZNDEXJN-GFCCVEGCSA-N 1 0 375.332 2.843 20 0 GFADRO Cc1ccc(Br)cc1C(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000173602736 552088973 /nfs/dbraw/zinc/08/89/73/552088973.db2.gz MDZDEAOTSLBAPB-KRWDZBQOSA-N 1 0 394.357 3.000 20 0 GFADRO C[NH+](C)CCCOc1cccc(NC(=O)c2c[nH]c(=O)c(Br)c2)c1 ZINC000173677687 552091026 /nfs/dbraw/zinc/09/10/26/552091026.db2.gz CMQSAFXXYKBSRR-UHFFFAOYSA-N 1 0 394.269 2.720 20 0 GFADRO CC[N@H+](C)C[C@H]1CCN(S(=O)(=O)c2ccc(C)c(Br)c2)C1 ZINC000174028003 552096914 /nfs/dbraw/zinc/09/69/14/552096914.db2.gz HOHRDUNPVYLNTN-CYBMUJFWSA-N 1 0 375.332 2.720 20 0 GFADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc(=O)[nH]c3ccc(Br)cc32)C1 ZINC000174523430 552105802 /nfs/dbraw/zinc/10/58/02/552105802.db2.gz GAOPDYWBEJZPJJ-LBPRGKRZSA-N 1 0 392.297 2.704 20 0 GFADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc(Br)c3c(c2)OCCO3)C1 ZINC000174542521 552106224 /nfs/dbraw/zinc/10/62/24/552106224.db2.gz QUIFHTXQEIKEPF-LBPRGKRZSA-N 1 0 383.286 2.634 20 0 GFADRO Ic1ccc2ncnc(N3CC[NH+](CC4CC4)CC3)c2c1 ZINC000174692976 552108703 /nfs/dbraw/zinc/10/87/03/552108703.db2.gz IBXBLAIARBCBAN-UHFFFAOYSA-N 1 0 394.260 2.766 20 0 GFADRO COC(=O)C[C@H]1CSCC[N@@H+]1CCc1nc(-c2cccc(Cl)c2)no1 ZINC000174733823 552109267 /nfs/dbraw/zinc/10/92/67/552109267.db2.gz JIDVNOBJQNHKNJ-AWEZNQCLSA-N 1 0 381.885 2.913 20 0 GFADRO CC(C)OCC[NH+]1CCC(NC(=O)c2ccc(Br)cc2O)CC1 ZINC000174980646 552112908 /nfs/dbraw/zinc/11/29/08/552112908.db2.gz UOJIGRFTEGWSEL-UHFFFAOYSA-N 1 0 385.302 2.774 20 0 GFADRO COc1ccc(Br)cc1S(=O)(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000175086326 552115127 /nfs/dbraw/zinc/11/51/27/552115127.db2.gz QKMUXVPNPIWJAM-OLZOCXBDSA-N 1 0 391.331 2.609 20 0 GFADRO CCC[N@H+](CC)CCNC(=O)Cc1cc2c(cc1Br)OCCO2 ZINC000175601601 552125849 /nfs/dbraw/zinc/12/58/49/552125849.db2.gz HUKZXAORLKCETH-UHFFFAOYSA-N 1 0 385.302 2.611 20 0 GFADRO COc1ccc(Br)cc1CNC(=O)[C@H]([NH2+]C1CCOCC1)C(C)C ZINC000175804639 552129707 /nfs/dbraw/zinc/12/97/07/552129707.db2.gz OOWMQQPLFVEDAN-QGZVFWFLSA-N 1 0 399.329 2.867 20 0 GFADRO CCOc1c(Br)cc(C[NH2+][C@](C)(CCO)COC)cc1OC ZINC000175856698 552130343 /nfs/dbraw/zinc/13/03/43/552130343.db2.gz BODCBRVQTGCQTB-MRXNPFEDSA-N 1 0 376.291 2.734 20 0 GFADRO CSc1ccccc1NC(=O)C(=O)N(CC[NH+](C)C)Cc1cccs1 ZINC000176114399 552135876 /nfs/dbraw/zinc/13/58/76/552135876.db2.gz KTNZDEUCHOFZDM-UHFFFAOYSA-N 1 0 377.535 2.999 20 0 GFADRO Cc1cc(CCC(=O)NCCC[NH+]2CCC(O)CC2)ccc1Br ZINC000176105806 552135893 /nfs/dbraw/zinc/13/58/93/552135893.db2.gz UIIWYBWDZWMVFT-UHFFFAOYSA-N 1 0 383.330 2.653 20 0 GFADRO CN(CC[NH+](C)C)C(=O)c1nnn(-c2ccc(Br)cc2)c1C1CC1 ZINC000176385214 552139824 /nfs/dbraw/zinc/13/98/24/552139824.db2.gz KGAWYEMRSQMNSO-UHFFFAOYSA-N 1 0 392.301 2.541 20 0 GFADRO C[C@@H](CNC(=O)c1cc(Cl)ccc1OC(F)F)C[NH+]1CCN(C)CC1 ZINC000176380574 552139860 /nfs/dbraw/zinc/13/98/60/552139860.db2.gz UPNZCHHPODTGNC-LBPRGKRZSA-N 1 0 375.847 2.555 20 0 GFADRO CC[S@@](=O)[C@H]1CCC[C@H](NC(=O)N(CC[NH+](C)C)Cc2cccs2)C1 ZINC000176581366 552141869 /nfs/dbraw/zinc/14/18/69/552141869.db2.gz UPCTWGBVAPPAGZ-LMZHUWQESA-N 1 0 385.599 2.901 20 0 GFADRO C[C@H]1C[C@@H](NC(=O)c2cnn(-c3ccc(Br)cc3)c2)C[N@@H+]1C1CC1 ZINC000177165049 552150629 /nfs/dbraw/zinc/15/06/29/552150629.db2.gz MZDLQJFIZOHDJB-SWLSCSKDSA-N 1 0 389.297 2.990 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)c2cc(=O)[nH]c3ccc(Br)cc32)C[N@@H+]1C1CC1 ZINC000177179672 552151359 /nfs/dbraw/zinc/15/13/59/552151359.db2.gz NIUZYVCDXQBMJY-ZYHUDNBSSA-N 1 0 390.281 2.646 20 0 GFADRO CC[N@H+](C)C[C@H]1CCN(C(=O)NCc2ccc(OC)c(Br)c2)C1 ZINC000177869212 552160693 /nfs/dbraw/zinc/16/06/93/552160693.db2.gz CRRPEHYOVGTRFL-CQSZACIVSA-N 1 0 384.318 2.941 20 0 GFADRO Cn1cc(Br)cc(NC(=O)NCCC[NH+]2CCCCCC2)c1=O ZINC000177969762 552161495 /nfs/dbraw/zinc/16/14/95/552161495.db2.gz KOWAHCKNOYJQBN-UHFFFAOYSA-N 1 0 385.306 2.535 20 0 GFADRO O=C(Cc1csc(-c2cccs2)n1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000178116329 552164574 /nfs/dbraw/zinc/16/45/74/552164574.db2.gz LZHXLNCHWBQIKM-CQSZACIVSA-N 1 0 377.535 2.595 20 0 GFADRO O=C(CCCCc1ccc(I)cc1)N1CCC[NH2+]CC1 ZINC000178362974 552169689 /nfs/dbraw/zinc/16/96/89/552169689.db2.gz OKWFULIXTXMIRN-UHFFFAOYSA-N 1 0 386.277 2.826 20 0 GFADRO Cc1nn(Cc2cccc(Br)c2)c(C)c1C(=O)N1CCC[NH2+]CC1 ZINC000178359490 552169866 /nfs/dbraw/zinc/16/98/66/552169866.db2.gz TVCAHQSZQAWCKK-UHFFFAOYSA-N 1 0 391.313 2.746 20 0 GFADRO O=C(CSc1cccs1)Nc1ccc(C(=O)NC[C@@H]2CCC[NH2+]2)cc1 ZINC000178732835 552174373 /nfs/dbraw/zinc/17/43/73/552174373.db2.gz JIKRZNUPDAGANO-HNNXBMFYSA-N 1 0 375.519 2.961 20 0 GFADRO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)C[N@H+](C)C[C@H]1CCOC1 ZINC000178768602 552174846 /nfs/dbraw/zinc/17/48/46/552174846.db2.gz QFUQSWIKZPDIHC-SNVBAGLBSA-N 1 0 375.252 2.687 20 0 GFADRO O=S(=O)(NC1CC[NH+](CC2CC2)CC1)c1cc(F)ccc1Br ZINC000178869284 552177539 /nfs/dbraw/zinc/17/75/39/552177539.db2.gz FXFVOWAVTSQYSS-UHFFFAOYSA-N 1 0 391.306 2.741 20 0 GFADRO C[C@@H]([NH3+])C1CCN(C(=O)c2c(F)cccc2I)CC1 ZINC000178872118 552178074 /nfs/dbraw/zinc/17/80/74/552178074.db2.gz KRVDZJWFSGPRBB-SECBINFHSA-N 1 0 376.213 2.630 20 0 GFADRO CCCN(C(=O)c1cc(=O)c2cc(Br)ccc2[nH]1)[C@@H]1CC[NH2+]C1 ZINC000178893114 552178694 /nfs/dbraw/zinc/17/86/94/552178694.db2.gz WODKKBWJRIBHMA-GFCCVEGCSA-N 1 0 378.270 2.505 20 0 GFADRO C[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)C1 ZINC000178965810 552180985 /nfs/dbraw/zinc/18/09/85/552180985.db2.gz IHWULGKOVRNVII-BLLLJJGKSA-N 1 0 384.307 2.666 20 0 GFADRO CS(=O)(=O)N1CCC(C[NH2+][C@H]2CCc3c2cccc3Br)CC1 ZINC000179210315 552186593 /nfs/dbraw/zinc/18/65/93/552186593.db2.gz RVUDVYYATHFEHI-INIZCTEOSA-N 1 0 387.343 2.698 20 0 GFADRO CC1(C)CN(CCNC(=O)Cc2c[nH]c3cccc(Br)c23)CCO1 ZINC000179211674 552187493 /nfs/dbraw/zinc/18/74/93/552187493.db2.gz AXKCHWMYBKZABC-UHFFFAOYSA-N 1 0 394.313 2.700 20 0 GFADRO C[C@H]1CN(C(=O)NC[C@@H](c2cccs2)[NH+](C)C)CCN1CC(F)(F)F ZINC000179248686 552187831 /nfs/dbraw/zinc/18/78/31/552187831.db2.gz BFWDKOYTDSAIKB-STQMWFEESA-N 1 0 378.464 2.629 20 0 GFADRO C[C@@H]1CN(C(=O)NC[C@@H](c2cccs2)[NH+](C)C)CCN1CC(F)(F)F ZINC000179248675 552187914 /nfs/dbraw/zinc/18/79/14/552187914.db2.gz BFWDKOYTDSAIKB-OLZOCXBDSA-N 1 0 378.464 2.629 20 0 GFADRO O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(F)c(I)c1 ZINC000366220629 563801579 /nfs/dbraw/zinc/80/15/79/563801579.db2.gz FQSXRFUBKVYYOD-NWDGAFQWSA-N 1 0 388.224 2.787 20 0 GFADRO Cc1ccc(Br)c(NC(=O)C(=O)NCCC[NH+]2CCCCC2)c1 ZINC000179310459 552189553 /nfs/dbraw/zinc/18/95/53/552189553.db2.gz LSEJIHLFJALUQJ-UHFFFAOYSA-N 1 0 382.302 2.688 20 0 GFADRO CNC(=O)CC[N@H+](C)Cc1cc(Br)c(OC(F)F)c(OC)c1 ZINC000179407324 552192249 /nfs/dbraw/zinc/19/22/49/552192249.db2.gz SAOBNLIHUJJNCM-UHFFFAOYSA-N 1 0 381.217 2.627 20 0 GFADRO CC(C)[NH+](CCCNC(=O)c1cnn2cc(Br)cnc12)C(C)C ZINC000179692439 552200435 /nfs/dbraw/zinc/20/04/35/552200435.db2.gz YQWICSTZNDJWBC-UHFFFAOYSA-N 1 0 382.306 2.731 20 0 GFADRO COCC[NH+]1CCC(NC(=O)C[C@H](O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000179738426 552202038 /nfs/dbraw/zinc/20/20/38/552202038.db2.gz HZNZDLDRAJJNNB-INIZCTEOSA-N 1 0 375.296 2.644 20 0 GFADRO C[N@@H+]1CC[C@@H](CNC(=O)c2cc(Br)cc(Br)c2)C1 ZINC000179801842 552203743 /nfs/dbraw/zinc/20/37/43/552203743.db2.gz UVRKRZWROZIMIP-VIFPVBQESA-N 1 0 376.092 2.893 20 0 GFADRO CC(C)CS(=O)(=O)N1CCC([NH2+][C@@H](C)c2ccc([S@](C)=O)cc2)CC1 ZINC000180015707 552209607 /nfs/dbraw/zinc/20/96/07/552209607.db2.gz WRXHYZAOWLUEDE-OWJWWREXSA-N 1 0 386.583 2.525 20 0 GFADRO CCn1ccnc1[C@H](NCC[C@@H](C)O)c1ccc(I)cc1 ZINC000180165538 552215590 /nfs/dbraw/zinc/21/55/90/552215590.db2.gz ATIDLBQTBXYDKK-IUODEOHRSA-N 1 0 399.276 2.958 20 0 GFADRO C[N@@H+]1CC[C@@H](NC(=O)c2cc(I)c[nH]2)[C@@H]1c1ccccc1 ZINC000180178963 552215980 /nfs/dbraw/zinc/21/59/80/552215980.db2.gz CSYPGVQDEMSGRC-HIFRSBDPSA-N 1 0 395.244 2.795 20 0 GFADRO Cc1cc(Br)cc(CNC[C@@](C)(O)C[NH+](C)C)c1OC(F)F ZINC000180340406 552223032 /nfs/dbraw/zinc/22/30/32/552223032.db2.gz KFNOGIHPPYONCX-OAHLLOKOSA-N 1 0 381.261 2.761 20 0 GFADRO Cc1cccc(S(=O)(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)c1Cl ZINC000180450083 552226245 /nfs/dbraw/zinc/22/62/45/552226245.db2.gz YJYCGCKJGUXOPQ-CVEARBPZSA-N 1 0 386.945 2.695 20 0 GFADRO CC[C@@H](CO)[NH+]1CCN(Cc2ccc(OC(F)F)c(Br)c2)CC1 ZINC000180519397 552228580 /nfs/dbraw/zinc/22/85/80/552228580.db2.gz LLODLYITXIEXOL-ZDUSSCGKSA-N 1 0 393.272 2.939 20 0 GFADRO C[NH+](C)C[C@H]1CCN(S(=O)(=O)Cc2ccc(Cl)cc2Br)C1 ZINC000180747682 552234700 /nfs/dbraw/zinc/23/47/00/552234700.db2.gz MNTRPXTYNPAPCJ-LLVKDONJSA-N 1 0 395.750 2.816 20 0 GFADRO C[NH+](C)C[C@@H]1CCN(S(=O)(=O)Cc2ccc(Cl)cc2Br)C1 ZINC000180747666 552234733 /nfs/dbraw/zinc/23/47/33/552234733.db2.gz MNTRPXTYNPAPCJ-NSHDSACASA-N 1 0 395.750 2.816 20 0 GFADRO C[NH+](C)C[C@](C)(O)CNC(=O)c1ccc(Br)cc1C(F)(F)F ZINC000180778013 552235686 /nfs/dbraw/zinc/23/56/86/552235686.db2.gz DGAQIWBVMHLVOO-CYBMUJFWSA-N 1 0 383.208 2.510 20 0 GFADRO C[C@@H]([NH2+]CCCNC(=O)c1cccs1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000180832935 552237219 /nfs/dbraw/zinc/23/72/19/552237219.db2.gz LEKCZJCJZVIDSS-GFCCVEGCSA-N 1 0 384.498 2.761 20 0 GFADRO C[NH+](C)C[C@@H]1CCN(C(=O)CNC(=O)c2sc3ccccc3c2Cl)C1 ZINC000180862786 552238196 /nfs/dbraw/zinc/23/81/96/552238196.db2.gz ZYYDCQBHBCPDEX-LBPRGKRZSA-N 1 0 379.913 2.695 20 0 GFADRO COCc1nc2n(n1)C[C@H]([NH2+][C@H](C)c1ccc(F)c(Br)c1)CC2 ZINC000181300155 552252856 /nfs/dbraw/zinc/25/28/56/552252856.db2.gz UWBUHOAEXDDNMO-ZYHUDNBSSA-N 1 0 383.265 2.992 20 0 GFADRO C[C@H]([NH2+]CCNc1cccc(Br)c1)c1ccc(S(N)(=O)=O)cc1 ZINC000181356563 552254106 /nfs/dbraw/zinc/25/41/06/552254106.db2.gz DFVAJMWQOBJVQJ-LBPRGKRZSA-N 1 0 398.326 2.859 20 0 GFADRO CC[C@H]([NH2+]C[C@@H](O)CS(=O)(=O)c1cccs1)c1cc(C)ccc1OC ZINC000181636720 552263696 /nfs/dbraw/zinc/26/36/96/552263696.db2.gz BGLQMKABMFGIJV-ZBFHGGJFSA-N 1 0 383.535 2.941 20 0 GFADRO Cc1ccc2c(c1)[C@@H]([NH2+]C[C@@H](O)CS(=O)(=O)c1cccs1)CCCO2 ZINC000181640366 552263699 /nfs/dbraw/zinc/26/36/99/552263699.db2.gz BOLGIRVWCZFKSR-ZBFHGGJFSA-N 1 0 381.519 2.695 20 0 GFADRO COc1ccc([C@H](C)[NH2+]C[C@H]2CCCN2S(C)(=O)=O)cc1Br ZINC000181690225 552265206 /nfs/dbraw/zinc/26/52/06/552265206.db2.gz URNSRIRDHQGNIM-WCQYABFASA-N 1 0 391.331 2.532 20 0 GFADRO C[C@@H]([NH2+]C[C@H]1CCN(S(C)(=O)=O)C1)c1cc(Br)ccc1F ZINC000181677890 552265301 /nfs/dbraw/zinc/26/53/01/552265301.db2.gz CITREOJLQCMYIC-GHMZBOCLSA-N 1 0 379.295 2.520 20 0 GFADRO C[C@H](Cn1cc(Br)cn1)[NH2+]C[C@@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000181812879 552268328 /nfs/dbraw/zinc/26/83/28/552268328.db2.gz AWUDZQJYZLQXRP-ZBFHGGJFSA-N 1 0 391.313 2.672 20 0 GFADRO COc1ccc([C@H](C)[NH2+][C@H](C(=O)N2CCOCC2)C(C)C)c(Br)c1 ZINC000181870809 552269916 /nfs/dbraw/zinc/26/99/16/552269916.db2.gz NCBMHCIXTKHMRK-GUYCJALGSA-N 1 0 399.329 2.992 20 0 GFADRO C[N@H+](CCCc1ccccc1Br)C1CCN(S(C)(=O)=O)CC1 ZINC000182005256 552272914 /nfs/dbraw/zinc/27/29/14/552272914.db2.gz WSKPHPDTLYDMKA-UHFFFAOYSA-N 1 0 389.359 2.738 20 0 GFADRO NC(=O)C[C@H]([NH2+]C[C@@H](O)COc1cccc(Br)c1)C1CCCCC1 ZINC000182027451 552273206 /nfs/dbraw/zinc/27/32/06/552273206.db2.gz IDHFDULFAQHLBW-WBVHZDCISA-N 1 0 399.329 2.603 20 0 GFADRO CN(C)C(=O)CC1CC[NH+](CCC(=O)Nc2ccccc2Br)CC1 ZINC000182186610 552277608 /nfs/dbraw/zinc/27/76/08/552277608.db2.gz WOXWXBWSDRXOKO-UHFFFAOYSA-N 1 0 396.329 2.968 20 0 GFADRO C[NH+](C)CCCC1CCN(S(=O)(=O)c2ccc(C(F)(F)F)nc2)CC1 ZINC000182174623 552277639 /nfs/dbraw/zinc/27/76/39/552277639.db2.gz FILNGGYRXOPMRK-UHFFFAOYSA-N 1 0 379.448 2.843 20 0 GFADRO COC(=O)[C@H](CC(C)C)NC(=O)C[NH2+][C@H](C)c1ccc(Br)cc1 ZINC000182394840 552283250 /nfs/dbraw/zinc/28/32/50/552283250.db2.gz ATMJXLJSCHUECE-DOMZBBRYSA-N 1 0 385.302 2.804 20 0 GFADRO C[C@H](C[S@](C)=O)NC(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000182533230 552286704 /nfs/dbraw/zinc/28/67/04/552286704.db2.gz XZQJHAHDHDFZRC-PWECECGKSA-N 1 0 385.961 2.618 20 0 GFADRO CC[C@H]([NH2+][C@H](C)C(=O)N(CC)[C@@H]1CCS(=O)(=O)C1)c1cccc(Cl)c1 ZINC000182589113 552288441 /nfs/dbraw/zinc/28/84/41/552288441.db2.gz PCUDOVWQMMVVGC-XYPHTWIQSA-N 1 0 386.945 2.805 20 0 GFADRO CCC(CC)[C@H](CNC(=O)C(=O)Nc1cnc(Br)c(C)c1)[NH+](C)C ZINC000182766390 552293074 /nfs/dbraw/zinc/29/30/74/552293074.db2.gz JZWNLLMHZFDTHH-AWEZNQCLSA-N 1 0 399.333 2.574 20 0 GFADRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)NCCc2nc(C(F)(F)F)cs2)C1 ZINC000183151701 552301547 /nfs/dbraw/zinc/30/15/47/552301547.db2.gz UXFMPGJQDFRPMO-NEPJUHHUSA-N 1 0 376.448 2.830 20 0 GFADRO CS(=O)(=O)[C@@H]1CCCC[C@H]1[NH2+]CCOc1ccc(Br)cc1 ZINC000183193351 552302829 /nfs/dbraw/zinc/30/28/29/552302829.db2.gz UIORJBUICPNJIK-HUUCEWRRSA-N 1 0 376.316 2.773 20 0 GFADRO Cn1ccnc1[C@H]([NH2+]CCNC(=O)c1ccc(Br)cc1)C1CC1 ZINC000183252821 552303651 /nfs/dbraw/zinc/30/36/51/552303651.db2.gz ZXBPMBPVZSIUOE-OAHLLOKOSA-N 1 0 377.286 2.653 20 0 GFADRO C[C@@H]([NH2+][C@@H]1CCN(c2ccc(Cl)cc2)C1)c1ccc(S(N)(=O)=O)cc1 ZINC000183337182 552306115 /nfs/dbraw/zinc/30/61/15/552306115.db2.gz OTZQCSNWLUKNLX-CZUORRHYSA-N 1 0 379.913 2.917 20 0 GFADRO C[NH+](C)CC1(CNC(=O)C(=O)Nc2ccccc2Br)CCCC1 ZINC000183346923 552306499 /nfs/dbraw/zinc/30/64/99/552306499.db2.gz OWBGYWQEPAEAPT-UHFFFAOYSA-N 1 0 382.302 2.626 20 0 GFADRO CC[N@H+](CCNC(=O)c1ncc(Br)cc1Br)C1CC1 ZINC000183526809 552311873 /nfs/dbraw/zinc/31/18/73/552311873.db2.gz HCBMJWGXTNHJGS-UHFFFAOYSA-N 1 0 391.107 2.821 20 0 GFADRO COc1ccc(Br)c(NC(=O)N[C@H](C)CC[NH+]2CCN(C)CC2)c1 ZINC000184253595 552330818 /nfs/dbraw/zinc/33/08/18/552330818.db2.gz LTOLFFJRQFSUSQ-CYBMUJFWSA-N 1 0 399.333 2.605 20 0 GFADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)[C@@H](C)Oc1cc(Cl)cc(Cl)c1 ZINC000184363054 552333145 /nfs/dbraw/zinc/33/31/45/552333145.db2.gz AVXABRVPMRVGSC-ZIAGYGMSSA-N 1 0 388.339 2.903 20 0 GFADRO Cc1cc(Br)c(F)cc1NC(=O)N1CC[N@@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000184831681 552345299 /nfs/dbraw/zinc/34/52/99/552345299.db2.gz NGGHIJXKALFGFZ-NWDGAFQWSA-N 1 0 388.281 2.815 20 0 GFADRO NC(=O)N1CCC([NH2+]Cc2cc(Br)ccc2Br)CC1 ZINC000185157562 552355777 /nfs/dbraw/zinc/35/57/77/552355777.db2.gz FVDLKAWCNISMQJ-UHFFFAOYSA-N 1 0 391.107 2.844 20 0 GFADRO Cc1c(C(=O)N2C[C@H]3CC[C@@H]([NH3+])[C@@H]3C2)cnn1-c1ccc(Br)cc1 ZINC000185168514 552356469 /nfs/dbraw/zinc/35/64/69/552356469.db2.gz KNOVPDYXAQONLM-CSMYWGQOSA-N 1 0 389.297 2.753 20 0 GFADRO COc1ccc(C[C@H](C)C[NH2+]CCNS(=O)(=O)c2cccs2)cc1F ZINC000185308597 552360449 /nfs/dbraw/zinc/36/04/49/552360449.db2.gz LJMUFNCJKJOGCL-ZDUSSCGKSA-N 1 0 386.514 2.643 20 0 GFADRO CC(C)C[C@@H](CO)[N@H+](C)CC(=O)Nc1cccc(I)c1 ZINC000185333739 552360866 /nfs/dbraw/zinc/36/08/66/552360866.db2.gz XWVIKJOLJCZENU-AWEZNQCLSA-N 1 0 390.265 2.569 20 0 GFADRO CC[C@@H]1[C@H](C)CC[N@@H+]1CC(=O)NCC(=O)Nc1ccccc1Br ZINC000185585043 552366957 /nfs/dbraw/zinc/36/69/57/552366957.db2.gz GHVLSLXUPUTZJI-IUODEOHRSA-N 1 0 382.302 2.624 20 0 GFADRO CSc1ccc(S(=O)(=O)N2CCC([N@H+](C)CCCO)CC2)cc1Cl ZINC000185723936 552369668 /nfs/dbraw/zinc/36/96/68/552369668.db2.gz JPTSXBASKWUUCD-UHFFFAOYSA-N 1 0 392.974 2.529 20 0 GFADRO O=S1(=O)CC[C@@H]([NH2+]CC2(N3CCSCC3)CCCC2)c2ccccc21 ZINC000186107259 552379375 /nfs/dbraw/zinc/37/93/75/552379375.db2.gz CPOKJHOYWFYUAD-QGZVFWFLSA-N 1 0 380.579 2.856 20 0 GFADRO O=S1(=O)CC[C@H]([NH2+][C@@H]2CCN(c3ncccc3Cl)C2)c2ccccc21 ZINC000186246753 552382802 /nfs/dbraw/zinc/38/28/02/552382802.db2.gz CMUINZXJFGAPCL-CJNGLKHVSA-N 1 0 377.897 2.822 20 0 GFADRO CCc1c(C(=O)NCC2=CC[NH2+]CC2)cnn1-c1ccc(Br)cc1 ZINC000186272661 552383525 /nfs/dbraw/zinc/38/35/25/552383525.db2.gz SYIFLQWDWZDGOA-UHFFFAOYSA-N 1 0 389.297 2.847 20 0 GFADRO CCCOC[C@H](Cc1cccc(Br)c1)[NH2+][C@@H](C)CS(C)(=O)=O ZINC000186503047 552389654 /nfs/dbraw/zinc/38/96/54/552389654.db2.gz RPQUITHAFMNGTI-BBRMVZONSA-N 1 0 392.359 2.810 20 0 GFADRO CCO[C@H]1C[C@](CO)([NH2+]Cc2cnc3ccc(Br)cn23)C1(C)C ZINC000186580774 552391165 /nfs/dbraw/zinc/39/11/65/552391165.db2.gz XREIHWQMYOGNQM-WMLDXEAASA-N 1 0 382.302 2.753 20 0 GFADRO Cc1ccc([C@@H](C[NH2+]Cc2cncc(Br)c2)N2CCOCC2)o1 ZINC000186581562 552391493 /nfs/dbraw/zinc/39/14/93/552391493.db2.gz MQPLEQMTFWDPNN-MRXNPFEDSA-N 1 0 380.286 2.909 20 0 GFADRO CN(CC[N@H+](C)C1CC1)C(=O)c1cc(F)c(F)cc1I ZINC000186811476 552398313 /nfs/dbraw/zinc/39/83/13/552398313.db2.gz RGORGMXXSJJZJE-UHFFFAOYSA-N 1 0 394.203 2.736 20 0 GFADRO CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]CCCOC[C@@H]1CCCO1 ZINC000187104072 552406343 /nfs/dbraw/zinc/40/63/43/552406343.db2.gz FNAJZKKPGNSYHF-HNNXBMFYSA-N 1 0 375.918 2.809 20 0 GFADRO COc1cnccc1[C@@H](C)[NH2+]C[C@@H](O)COc1ccc(Br)cc1 ZINC000187105386 552406474 /nfs/dbraw/zinc/40/64/74/552406474.db2.gz YWKLMWIXAYOYHJ-TZMCWYRMSA-N 1 0 381.270 2.943 20 0 GFADRO C[C@H](NC(=O)N1CC[N@H+](CC(C)(C)O)C[C@@H]1C)c1cccc(Br)c1 ZINC000187378829 552413915 /nfs/dbraw/zinc/41/39/15/552413915.db2.gz HBGVUKIQHTUOLJ-KBPBESRZSA-N 1 0 398.345 2.997 20 0 GFADRO [NH3+]Cc1cc(C(=O)NCC2(c3ccc(Br)cc3)CCOCC2)co1 ZINC000187635326 552420737 /nfs/dbraw/zinc/42/07/37/552420737.db2.gz ZLINETALTLRLRS-UHFFFAOYSA-N 1 0 393.281 2.979 20 0 GFADRO CCO[C@@H]1C[C@]([NH3+])(C(=O)N2CCc3cccc(Br)c3C2)C1(C)C ZINC000187806715 552424989 /nfs/dbraw/zinc/42/49/89/552424989.db2.gz NTHNUVKCXZALGV-QAPCUYQASA-N 1 0 381.314 2.866 20 0 GFADRO CCN(CCC[NH+]1CCCC1)C(=O)CNC(=O)c1ccc(Br)cc1 ZINC000188111413 552435646 /nfs/dbraw/zinc/43/56/46/552435646.db2.gz AUVDKJAYCZCUGV-UHFFFAOYSA-N 1 0 396.329 2.513 20 0 GFADRO CCO[C@H](CC[NH+](C)C)CNC(=O)C1(c2ccccc2Br)CC1 ZINC000188152359 552437006 /nfs/dbraw/zinc/43/70/06/552437006.db2.gz MBMLEYHNEFCYJD-CQSZACIVSA-N 1 0 383.330 2.954 20 0 GFADRO COC[C@@H]([NH2+]Cc1cc(OC)c(OC)cc1Br)C1CCOCC1 ZINC000188180073 552438113 /nfs/dbraw/zinc/43/81/13/552438113.db2.gz IQPHWGFVJXQKEH-OAHLLOKOSA-N 1 0 388.302 2.998 20 0 GFADRO CS(=O)(=O)NCC[NH2+][C@@H](CC1CC1)c1cc(F)cc(Br)c1 ZINC000188184920 552438247 /nfs/dbraw/zinc/43/82/47/552438247.db2.gz YQUVZGVQQVJCEW-AWEZNQCLSA-N 1 0 379.295 2.568 20 0 GFADRO Cc1ccc(Br)nc1C(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000188250663 552440422 /nfs/dbraw/zinc/44/04/22/552440422.db2.gz WOLMVCCXVDETEC-UHFFFAOYSA-N 1 0 384.318 2.725 20 0 GFADRO Cc1nn(Cc2cccc(Br)c2)c(C)c1C(=O)N1CC[NH2+][C@H](C)C1 ZINC000188443435 552444993 /nfs/dbraw/zinc/44/49/93/552444993.db2.gz WYQOHVNZMLHLQR-GFCCVEGCSA-N 1 0 391.313 2.745 20 0 GFADRO C[C@@H](Oc1ccc(Br)cc1)C(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000188609271 552450017 /nfs/dbraw/zinc/45/00/17/552450017.db2.gz UIKATKWAFABJBT-ZIAGYGMSSA-N 1 0 399.329 2.520 20 0 GFADRO CC[C@@H](C)NC(=O)[C@@H](C)[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000188712770 552453300 /nfs/dbraw/zinc/45/33/00/552453300.db2.gz YCMIQTQNIFCELX-ZIAGYGMSSA-N 1 0 398.345 2.679 20 0 GFADRO C[C@@](O)(C[NH2+]Cc1ccc(Br)cc1N1CCOCC1)c1ccco1 ZINC000188745328 552453927 /nfs/dbraw/zinc/45/39/27/552453927.db2.gz DSCNFLVQYXRYDB-GOSISDBHSA-N 1 0 395.297 2.876 20 0 GFADRO CCOc1cc(C[N@H+](C)CC2(O)CCOCC2)cc(Br)c1OC ZINC000188843156 552456567 /nfs/dbraw/zinc/45/65/67/552456567.db2.gz LTKQEZNWLZQLHU-UHFFFAOYSA-N 1 0 388.302 2.830 20 0 GFADRO CCOCC[NH+]1CCN(CCOc2cc(F)cc(Br)c2)CC1 ZINC000188956187 552459345 /nfs/dbraw/zinc/45/93/45/552459345.db2.gz WSVKWYOYHYHHPF-UHFFFAOYSA-N 1 0 375.282 2.621 20 0 GFADRO COCCOC[C@H]1CC[N@H+](CCOc2cc(F)cc(Br)c2)C1 ZINC000189044621 552461340 /nfs/dbraw/zinc/46/13/40/552461340.db2.gz SBBXMJPHRFHEJU-ZDUSSCGKSA-N 1 0 376.266 2.952 20 0 GFADRO CC(=O)Nc1cc(F)c(S(=O)(=O)N(C)CC2([NH+](C)C)CCC2)cc1Cl ZINC000189126728 552463559 /nfs/dbraw/zinc/46/35/59/552463559.db2.gz ZSXXHYFBBBMZTR-UHFFFAOYSA-N 1 0 391.896 2.542 20 0 GFADRO O=S(=O)(CCO)c1ccc(C[NH2+][C@H]2CSCCc3ccccc32)cc1 ZINC000189163439 552464870 /nfs/dbraw/zinc/46/48/70/552464870.db2.gz UTKYWICVUIMPRO-IBGZPJMESA-N 1 0 377.531 2.573 20 0 GFADRO Cc1ccc2cc(C[NH2+]C[C@@H](O)CS(=O)(=O)c3cccs3)ccc2n1 ZINC000189405281 552470996 /nfs/dbraw/zinc/47/09/96/552470996.db2.gz DZCPAXWHGAVTPM-MRXNPFEDSA-N 1 0 376.503 2.529 20 0 GFADRO CCOc1ccc(NC(=O)N[C@H](C)CN2CC[NH+](C)CC2)cc1Br ZINC000189498156 552473127 /nfs/dbraw/zinc/47/31/27/552473127.db2.gz VALQWWWGDCSCMZ-CYBMUJFWSA-N 1 0 399.333 2.605 20 0 GFADRO C[C@@H](O)C[N@@H+]1CCN(CC(=O)Nc2c(Cl)cc(Cl)cc2Cl)[C@H](C)C1 ZINC000189573305 552474761 /nfs/dbraw/zinc/47/47/61/552474761.db2.gz QQOPISYPMAADQN-GHMZBOCLSA-N 1 0 394.730 2.972 20 0 GFADRO O[C@]1(C[NH2+]Cc2cnc(N3CCOCC3)s2)CCC[C@H](C(F)(F)F)C1 ZINC000189612934 552475968 /nfs/dbraw/zinc/47/59/68/552475968.db2.gz NUAVWMPLZSBQMJ-SWLSCSKDSA-N 1 0 379.448 2.553 20 0 GFADRO C[C@H](c1cccc(S(N)(=O)=O)c1)[N@H+](C)CCOCC(F)(F)C(F)(F)F ZINC000189652798 552476797 /nfs/dbraw/zinc/47/67/97/552476797.db2.gz RQASALZLEKEXEC-SNVBAGLBSA-N 1 0 390.374 2.541 20 0 GFADRO C[NH+](C)CC(=O)N1CCC[C@H]1c1nc(-c2ccccc2Br)no1 ZINC000189861628 552481408 /nfs/dbraw/zinc/48/14/08/552481408.db2.gz GPJFPABNWBKFGG-ZDUSSCGKSA-N 1 0 379.258 2.724 20 0 GFADRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1csc(C(F)(F)F)n1 ZINC000189910519 552482664 /nfs/dbraw/zinc/48/26/64/552482664.db2.gz FPHIXPIZWKTSGP-OLZOCXBDSA-N 1 0 377.432 2.660 20 0 GFADRO CCC[N@H+](C)C[C@H]1CCN(C(=O)Nc2ccc(Cl)c(S(C)(=O)=O)c2)C1 ZINC000189905320 552482869 /nfs/dbraw/zinc/48/28/69/552482869.db2.gz XWGPNTOJGVJUML-CYBMUJFWSA-N 1 0 387.933 2.939 20 0 GFADRO COc1cc(Br)ccc1[C@@H](C)[NH2+][C@H](C)C(=O)NC(=O)NC(C)C ZINC000189977579 552484451 /nfs/dbraw/zinc/48/44/51/552484451.db2.gz QIXIFRPNUJJVDZ-GHMZBOCLSA-N 1 0 386.290 2.731 20 0 GFADRO Cc1cc(F)c(Br)cc1S(=O)(=O)N(C)[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000190007221 552485080 /nfs/dbraw/zinc/48/50/80/552485080.db2.gz PHPWQOBYKVUMSC-FZMZJTMJSA-N 1 0 393.322 2.857 20 0 GFADRO COC(=O)c1scc(C)c1S(=O)(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000190373829 552494386 /nfs/dbraw/zinc/49/43/86/552494386.db2.gz TVEYEYJLLJQJAY-UHFFFAOYSA-N 1 0 388.555 2.586 20 0 GFADRO CCN1CCN(C(=O)[C@H](C)[NH2+][C@@H](C)c2ccc(Br)cc2OC)CC1 ZINC000190446187 552496535 /nfs/dbraw/zinc/49/65/35/552496535.db2.gz HQZHGNBJRZYHOX-KBPBESRZSA-N 1 0 398.345 2.661 20 0 GFADRO COc1cc(Br)ccc1[C@@H](C)[NH2+]Cc1cc(=O)n2nccc2[nH]1 ZINC000190436596 552496660 /nfs/dbraw/zinc/49/66/60/552496660.db2.gz XKBXEWPAETWGBS-SNVBAGLBSA-N 1 0 377.242 2.645 20 0 GFADRO CCNC(=O)CC[N@H+](C)Cc1cccc(Br)c1OC[C@@H]1CCCO1 ZINC000190510383 552499542 /nfs/dbraw/zinc/49/95/42/552499542.db2.gz VNIDNCCEQSZRRX-HNNXBMFYSA-N 1 0 399.329 2.965 20 0 GFADRO COCC[NH+]1CCC(NC(=O)Nc2cc(F)cc(F)c2Br)CC1 ZINC000190609141 552502767 /nfs/dbraw/zinc/50/27/67/552502767.db2.gz RTDBTOPQONLMJK-UHFFFAOYSA-N 1 0 392.244 2.960 20 0 GFADRO Cc1cc(Br)cc(NC(=O)C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)c1 ZINC000190950478 552514805 /nfs/dbraw/zinc/51/48/05/552514805.db2.gz DSXBIEFVDSDZFX-BBRMVZONSA-N 1 0 394.313 2.639 20 0 GFADRO CCN1CC[NH+](C[C@H](C)CNC(=O)c2scc(C)c2Br)CC1 ZINC000190966581 552515113 /nfs/dbraw/zinc/51/51/13/552515113.db2.gz BKTZKPUFRKTLNE-GFCCVEGCSA-N 1 0 388.375 2.822 20 0 GFADRO C[NH+]1CCN(Cc2ccc(NC(=O)c3ccccn3)cc2Br)CC1 ZINC000191081362 552518186 /nfs/dbraw/zinc/51/81/86/552518186.db2.gz DWAGQNCFZCDSEI-UHFFFAOYSA-N 1 0 389.297 2.844 20 0 GFADRO O=C1CNC(=O)N1CCC[NH2+]C1(c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000191251061 552522712 /nfs/dbraw/zinc/52/27/12/552522712.db2.gz DSJZSNUKEIHFGB-UHFFFAOYSA-N 1 0 375.778 2.879 20 0 GFADRO C[NH+](C)[C@H]1CCCN(Cc2ccc(Br)cc2N2CCOCC2)C1 ZINC000191638728 552534191 /nfs/dbraw/zinc/53/41/91/552534191.db2.gz KGHNKKKBPKRTEJ-KRWDZBQOSA-N 1 0 382.346 2.812 20 0 GFADRO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1Cc1cnc2ccc(Br)cn12 ZINC000191678035 552534591 /nfs/dbraw/zinc/53/45/91/552534591.db2.gz FGILUOIPGOXYJY-XFJVYGCCSA-N 1 0 378.270 2.870 20 0 GFADRO COc1ccc(NC(=O)NCC[N@H+](C)C(C)C)c(I)c1 ZINC000192432153 552563722 /nfs/dbraw/zinc/56/37/22/552563722.db2.gz PPYHLOFIXKSKRW-UHFFFAOYSA-N 1 0 391.253 2.762 20 0 GFADRO COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)N1CC[C@@H]2CC[C@H](C1)[N@@H+]2C ZINC000192065470 552548243 /nfs/dbraw/zinc/54/82/43/552548243.db2.gz XMJNHWUKUQXCDU-WDEREUQCSA-N 1 0 386.279 2.636 20 0 GFADRO O=C1[C@H](N2CC[C@H](C[NH+]3CCCC3)C2)CCN1c1cccc(Br)c1 ZINC000192073528 552549096 /nfs/dbraw/zinc/54/90/96/552549096.db2.gz HKFKYNMBMLPPSV-CRAIPNDOSA-N 1 0 392.341 2.972 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)c2cc(Br)nn2C)CC[N@@H+]1Cc1ccccc1 ZINC000192148377 552553546 /nfs/dbraw/zinc/55/35/46/552553546.db2.gz ISPRITJADCGKNK-HIFRSBDPSA-N 1 0 391.313 2.966 20 0 GFADRO Nc1c(Cl)cc(NC(=O)NCCCC[N@@H+]2CCC[C@H]2CO)cc1Cl ZINC000192307233 552559466 /nfs/dbraw/zinc/55/94/66/552559466.db2.gz DSYBTRGWWKVLHM-LBPRGKRZSA-N 1 0 375.300 2.934 20 0 GFADRO NS(=O)(=O)c1ccc(CC[NH2+]Cc2c(F)cccc2Br)cc1 ZINC000192674773 552971237 /nfs/dbraw/zinc/97/12/37/552971237.db2.gz NSGWUALUEODRAS-UHFFFAOYSA-N 1 0 387.274 2.568 20 0 GFADRO CCC[NH+]1CCC(CNS(=O)(=O)c2cc(OC)c(OC)cc2Cl)CC1 ZINC000192817363 552974559 /nfs/dbraw/zinc/97/45/59/552974559.db2.gz PAOFTXUHIPSNAK-UHFFFAOYSA-N 1 0 390.933 2.758 20 0 GFADRO Cc1c(Br)ccc(NC(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)c1F ZINC000192862973 552976194 /nfs/dbraw/zinc/97/61/94/552976194.db2.gz BHMLTDHZTKIIGT-GFCCVEGCSA-N 1 0 398.276 2.532 20 0 GFADRO C[C@H]1CCCC[C@@]1(C[NH3+])NS(=O)(=O)Cc1ccc(Br)cc1 ZINC000193038628 552981451 /nfs/dbraw/zinc/98/14/51/552981451.db2.gz QBPIUMPLMPKLEM-WFASDCNBSA-N 1 0 375.332 2.776 20 0 GFADRO [NH3+][C@@H]1CCCN(S(=O)(=O)c2ccc(Br)c(Cl)c2Cl)C1 ZINC000193225224 552986932 /nfs/dbraw/zinc/98/69/32/552986932.db2.gz RSMDNJSLRSGVQP-SSDOTTSWSA-N 1 0 388.114 2.868 20 0 GFADRO O=S(=O)(c1cc(Br)c(Cl)cc1Cl)N1CCC[NH2+]CC1 ZINC000193232771 552986966 /nfs/dbraw/zinc/98/69/66/552986966.db2.gz GYNSIKLDVSMDRR-UHFFFAOYSA-N 1 0 388.114 2.740 20 0 GFADRO C[C@H](O)CSc1nc2sc3c(c2c(=O)n1CCC[NH+](C)C)CCCC3 ZINC000193354251 552991165 /nfs/dbraw/zinc/99/11/65/552991165.db2.gz IXWDJKUADZNMNB-LBPRGKRZSA-N 1 0 381.567 2.761 20 0 GFADRO CCOc1ccc(S(=O)(=O)NCC2(C)CC[NH2+]CC2)cc1Br ZINC000193376796 552991775 /nfs/dbraw/zinc/99/17/75/552991775.db2.gz VHCPZAGJQZQIFH-UHFFFAOYSA-N 1 0 391.331 2.516 20 0 GFADRO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)c1cc(Cl)ccc1I ZINC000193651522 552999078 /nfs/dbraw/zinc/99/90/78/552999078.db2.gz HRAATDDRSBZVNI-PELKAZGASA-N 1 0 378.641 2.815 20 0 GFADRO Cc1nnc(SCC(=O)N2CCC[N@H+](Cc3ccc(C)cc3)CC2)s1 ZINC000193642037 552999208 /nfs/dbraw/zinc/99/92/08/552999208.db2.gz LYHYZFLVFVJDEI-UHFFFAOYSA-N 1 0 376.551 2.982 20 0 GFADRO O=C(c1ncccc1Br)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000193781472 553002781 /nfs/dbraw/zinc/00/27/81/553002781.db2.gz KKQYLTJPHPWOBR-UHFFFAOYSA-N 1 0 396.329 2.809 20 0 GFADRO Cc1ccc(S(=O)(=O)NC2CC[NH+](CC3CC3)CC2)c(Br)c1 ZINC000193907756 553006515 /nfs/dbraw/zinc/00/65/15/553006515.db2.gz AXTUESKSHICTKK-UHFFFAOYSA-N 1 0 387.343 2.910 20 0 GFADRO C[C@H](CCc1ccc(C(F)(F)F)cc1)[NH2+]C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000193996347 553009102 /nfs/dbraw/zinc/00/91/02/553009102.db2.gz UFHXSWJTRXMDBQ-UKRRQHHQSA-N 1 0 378.460 2.898 20 0 GFADRO Cn1cc(N2CC[C@H]([NH2+][C@H]3CCc4ccc(Br)cc43)C2=O)cn1 ZINC000193993352 553009505 /nfs/dbraw/zinc/00/95/05/553009505.db2.gz MRXMDBOKNTWBQD-HOTGVXAUSA-N 1 0 375.270 2.565 20 0 GFADRO Cc1cc(N2CC[C@@H]([NH2+][C@H]3CCc4ccc(Br)cc43)C2=O)n(C)n1 ZINC000193994033 553009557 /nfs/dbraw/zinc/00/95/57/553009557.db2.gz SPXKAQXMCHVVNI-JKSUJKDBSA-N 1 0 389.297 2.873 20 0 GFADRO O=C([C@@H]1Cc2cc(Br)ccc2O1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000194341509 553018086 /nfs/dbraw/zinc/01/80/86/553018086.db2.gz PUDXJBSHTXPJNB-GUYCJALGSA-N 1 0 379.298 2.697 20 0 GFADRO CC[NH+](CC)C[C@@H]1CCN(C(=O)[C@@H]2Cc3cc(Br)ccc3O2)C1 ZINC000194362969 553018641 /nfs/dbraw/zinc/01/86/41/553018641.db2.gz SGBIZKHISCRWAK-GUYCJALGSA-N 1 0 381.314 2.943 20 0 GFADRO CCCOc1c(Br)cc(C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)cc1OC ZINC000195231917 553041946 /nfs/dbraw/zinc/04/19/46/553041946.db2.gz HTIMSFDQKWMWGH-BETUJISGSA-N 1 0 383.286 2.538 20 0 GFADRO CC(C)[NH+]1CCC(NC(=O)c2cc(Br)c3c(c2)OCCO3)CC1 ZINC000195334150 553045572 /nfs/dbraw/zinc/04/55/72/553045572.db2.gz PSTRTRIPTXPURF-UHFFFAOYSA-N 1 0 383.286 2.823 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CN(Cc2ccc(Br)c(Br)c2)CCO1 ZINC000220328771 553055041 /nfs/dbraw/zinc/05/50/41/553055041.db2.gz PCWDZYOJMSYUMY-NOZJJQNGSA-N 1 0 378.108 2.760 20 0 GFADRO C[C@H]1CN(C(=O)c2ccc(I)c(Cl)c2)CC[C@H]1[NH3+] ZINC000226264514 553061317 /nfs/dbraw/zinc/06/13/17/553061317.db2.gz LIHJAZOTQGTFPL-QPUJVOFHSA-N 1 0 378.641 2.754 20 0 GFADRO C[C@@H]1C[C@H]([NH3+])CCN1C(=O)c1cc(Cl)ccc1I ZINC000227288751 553062830 /nfs/dbraw/zinc/06/28/30/553062830.db2.gz PQMNDPMOLVLVLT-PSASIEDQSA-N 1 0 378.641 2.896 20 0 GFADRO O=C(NC[C@H]1CCN(c2ccc(Br)cc2)C1)[C@@H]1CC12CC[NH2+]CC2 ZINC000236610632 553069672 /nfs/dbraw/zinc/06/96/72/553069672.db2.gz SIELVVWWNXNKCM-PBHICJAKSA-N 1 0 392.341 2.781 20 0 GFADRO CC(C)C[C@H]([NH3+])C(=O)NCC1(c2ccc(Br)cc2)CCOCC1 ZINC000236678299 553070431 /nfs/dbraw/zinc/07/04/31/553070431.db2.gz XXMPVJKPMGUXKD-INIZCTEOSA-N 1 0 383.330 2.987 20 0 GFADRO O=C(/C=C/c1cc(Br)c2c(c1)OCCO2)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000236644844 553070620 /nfs/dbraw/zinc/07/06/20/553070620.db2.gz AUHSGOLLHOXOCE-BORTZKBNSA-N 1 0 393.281 2.633 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)N1CC[C@@H]([NH3+])C[C@@H]1C ZINC000236828168 553071623 /nfs/dbraw/zinc/07/16/23/553071623.db2.gz AWYRPBVMWRHYLF-RRFJBIMHSA-N 1 0 384.567 2.689 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)N1CC[C@H]([NH3+])C[C@@H]1C ZINC000236828227 553071720 /nfs/dbraw/zinc/07/17/20/553071720.db2.gz AWYRPBVMWRHYLF-ZNMIVQPWSA-N 1 0 384.567 2.689 20 0 GFADRO CCC([NH3+])(CC)CNC(=O)[C@H]1CCCN1C(=O)c1ccc(Br)cc1 ZINC000236796382 553071819 /nfs/dbraw/zinc/07/18/19/553071819.db2.gz WESJPYUOJGRNQT-OAHLLOKOSA-N 1 0 396.329 2.687 20 0 GFADRO CCC[NH2+]CCNC(=O)c1cnn(-c2ncccc2Cl)c1C(F)(F)F ZINC000236855352 553072378 /nfs/dbraw/zinc/07/23/78/553072378.db2.gz MZWOUCVHKINTCT-UHFFFAOYSA-N 1 0 375.782 2.669 20 0 GFADRO CCc1c(C(=O)NC[C@@H](C)C[NH2+]C)cnn1-c1ccc(Br)cc1 ZINC000236955163 553072742 /nfs/dbraw/zinc/07/27/42/553072742.db2.gz FEKFHHHZBHYVJQ-LBPRGKRZSA-N 1 0 379.302 2.783 20 0 GFADRO CCOc1cc(Br)c(CC(=O)N[C@@H](C[NH3+])C2CC2)cc1OCC ZINC000236879658 553072868 /nfs/dbraw/zinc/07/28/68/553072868.db2.gz FAEKNRZRNFGDHA-AWEZNQCLSA-N 1 0 385.302 2.643 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)[C@]1(C)CCC[NH2+]C1 ZINC000237094932 553074440 /nfs/dbraw/zinc/07/44/40/553074440.db2.gz KBPIDMRYSZEINH-QGZVFWFLSA-N 1 0 382.302 2.544 20 0 GFADRO COc1cc(C[NH2+][C@H]2CCCOC2)cc(I)c1OC ZINC000237238468 553075950 /nfs/dbraw/zinc/07/59/50/553075950.db2.gz UGILCQNDXWDHLE-NSHDSACASA-N 1 0 377.222 2.577 20 0 GFADRO COC(=O)C[C@H](NC(=O)[C@@H]1CC12CC[NH2+]CC2)c1ccc(Br)cc1 ZINC000237220069 553076061 /nfs/dbraw/zinc/07/60/61/553076061.db2.gz HXHYZQWKOLBUKO-GJZGRUSLSA-N 1 0 395.297 2.559 20 0 GFADRO CSCC[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)NCC(C)(C)[NH3+] ZINC000237285534 553076391 /nfs/dbraw/zinc/07/63/91/553076391.db2.gz HPTVQOGOMORTSU-CYBMUJFWSA-N 1 0 392.352 2.698 20 0 GFADRO C[NH2+]CC1CCN(C(=O)c2cc(F)c(F)cc2I)CC1 ZINC000237347664 553076994 /nfs/dbraw/zinc/07/69/94/553076994.db2.gz NOHLHQJIWFYXOG-UHFFFAOYSA-N 1 0 394.203 2.641 20 0 GFADRO C[C@H](C(=O)N1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1)c1ccc(Cl)s1 ZINC000237414868 553077663 /nfs/dbraw/zinc/07/76/63/553077663.db2.gz HAGKHUCVQPGYSS-IHRRRGAJSA-N 1 0 383.945 2.612 20 0 GFADRO C[C@@H]1CCCN(C(=O)c2ccc(I)c(F)c2)[C@H]1C[NH3+] ZINC000237525878 553078682 /nfs/dbraw/zinc/07/86/82/553078682.db2.gz YDVGEGIOBPKWTO-RNCFNFMXSA-N 1 0 376.213 2.630 20 0 GFADRO C[C@@H](Oc1ccccc1Br)C(=O)N1CCC(OCCC[NH3+])CC1 ZINC000237538871 553078722 /nfs/dbraw/zinc/07/87/22/553078722.db2.gz IDOQVTGUFYJBSY-CYBMUJFWSA-N 1 0 385.302 2.573 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)c1ccc(I)c(F)c1 ZINC000237554594 553078786 /nfs/dbraw/zinc/07/87/86/553078786.db2.gz IKNDMNQNTFBVNH-TVQRCGJNSA-N 1 0 376.213 2.772 20 0 GFADRO C[C@@]1(C(=O)NC[C@@H]2CCN(c3cccc(Br)c3)C2)CCC[NH2+]C1 ZINC000237587241 553079573 /nfs/dbraw/zinc/07/95/73/553079573.db2.gz PJFXMUHGGMEBBR-KBXCAEBGSA-N 1 0 380.330 2.781 20 0 GFADRO O=S(=O)(NCC[C@H]1CCC[NH2+]C1)c1c(Cl)cc(F)cc1Br ZINC000237706583 553080735 /nfs/dbraw/zinc/08/07/35/553080735.db2.gz NJEPGRRLMVJJSV-SECBINFHSA-N 1 0 399.713 2.910 20 0 GFADRO O=S(=O)(NCC[C@@H]1CCC[NH2+]C1)c1ccc(Br)c(Cl)c1 ZINC000237713886 553081068 /nfs/dbraw/zinc/08/10/68/553081068.db2.gz ZIZJXXUZYSTQBE-JTQLQIEISA-N 1 0 381.723 2.771 20 0 GFADRO O=C(NCC[C@@H]1CCC[NH2+]C1)[C@H]1CCN(c2cc(Cl)ccc2Cl)C1=O ZINC000237716420 553081159 /nfs/dbraw/zinc/08/11/59/553081159.db2.gz DLTMPQNEHHHDQM-GXTWGEPZSA-N 1 0 384.307 2.852 20 0 GFADRO [NH3+]C[C@@H](NC(=O)c1cccc(NC(=O)c2ccc(Br)o2)c1)C1CC1 ZINC000237800269 553082444 /nfs/dbraw/zinc/08/24/44/553082444.db2.gz LMYBGZSPIIIFCI-CYBMUJFWSA-N 1 0 392.253 2.762 20 0 GFADRO [NH3+]C[C@H](NC(=O)CCCCc1ccc(I)cc1)C1CC1 ZINC000237854329 553083001 /nfs/dbraw/zinc/08/30/01/553083001.db2.gz UKFABWAWPBDKTN-HNNXBMFYSA-N 1 0 386.277 2.858 20 0 GFADRO Cc1c(C(=O)Nc2ccc(Br)cc2F)nnn1C1CC[NH2+]CC1 ZINC000237859032 553083279 /nfs/dbraw/zinc/08/32/79/553083279.db2.gz BQUVGLHOAYEZPR-UHFFFAOYSA-N 1 0 382.237 2.665 20 0 GFADRO O=C(NC[C@H]1CCCN(C(=O)c2ccc(Cl)cc2Cl)C1)[C@@H]1CCC[NH2+]1 ZINC000237862741 553083344 /nfs/dbraw/zinc/08/33/44/553083344.db2.gz OKPKYKLGSAZCTA-WBMJQRKESA-N 1 0 384.307 2.714 20 0 GFADRO [NH3+]C[C@H]1CCCN(C(=O)[C@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)C1 ZINC000237876504 553083517 /nfs/dbraw/zinc/08/35/17/553083517.db2.gz LHONAZIXYKWPFI-MLGOLLRUSA-N 1 0 384.307 2.795 20 0 GFADRO O=C(NC[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2Cl)C1)[C@H]1CCC[NH2+]1 ZINC000237861807 553083630 /nfs/dbraw/zinc/08/36/30/553083630.db2.gz OKPKYKLGSAZCTA-BLLLJJGKSA-N 1 0 384.307 2.714 20 0 GFADRO [NH3+]C[C@@H](C(=O)NC[C@H](O)COc1cccc(Cl)c1Cl)c1ccccc1 ZINC000238028636 553085069 /nfs/dbraw/zinc/08/50/69/553085069.db2.gz BLUORFHFOZVJLE-UONOGXRCSA-N 1 0 383.275 2.592 20 0 GFADRO O=C(Nc1ccc(OCc2ccccc2)c(Br)c1)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000238009242 553085231 /nfs/dbraw/zinc/08/52/31/553085231.db2.gz KJVBOWBWCCONFE-GDBMZVCRSA-N 1 0 391.265 2.689 20 0 GFADRO C[C@@H](C(=O)NCCCC[N@@H+]1CCC[C@H]1CO)c1ccc(Br)cc1 ZINC000245868623 553098566 /nfs/dbraw/zinc/09/85/66/553098566.db2.gz GLALZKIQWPZHIK-PBHICJAKSA-N 1 0 383.330 2.906 20 0 GFADRO C[C@H]1CCCN(S(=O)(=O)c2ccc(Br)c(Cl)c2)[C@H]1C[NH3+] ZINC000245898567 553099007 /nfs/dbraw/zinc/09/90/07/553099007.db2.gz DGZJXVGDRJOLHZ-ZANVPECISA-N 1 0 381.723 2.850 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2sccc2Br)[C@@H](C)C1 ZINC000246258093 553105007 /nfs/dbraw/zinc/10/50/07/553105007.db2.gz UBAFRBKTAVJWRE-CMPLNLGQSA-N 1 0 381.361 2.861 20 0 GFADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)NCCOc3ncc(Cl)cc3Cl)CC[C@H]21 ZINC000246800329 553113374 /nfs/dbraw/zinc/11/33/74/553113374.db2.gz JBDMHILGXQOGJV-IUODEOHRSA-N 1 0 387.311 2.893 20 0 GFADRO C[C@@H](NC(=O)CN1CC[N@@H+](C[C@H](C)O)[C@@H](C)C1)c1ccc(Cl)cc1Cl ZINC000246945629 553115527 /nfs/dbraw/zinc/11/55/27/553115527.db2.gz BDHNVRJYYZREEQ-MELADBBJSA-N 1 0 388.339 2.558 20 0 GFADRO CO[C@@H]1CC[C@H]2OCCN(Cc3cc4c(c(Br)c3)OCO4)[C@H]2C1 ZINC000246924551 553115990 /nfs/dbraw/zinc/11/59/90/553115990.db2.gz RXVXKASJZYSYQJ-VHDGCEQUSA-N 1 0 384.270 2.946 20 0 GFADRO CC[S@](=O)[C@@H]1CCC[C@H]([NH2+][C@H](C)c2cccc(S(=O)(=O)N(C)C)c2)C1 ZINC000246966804 553116797 /nfs/dbraw/zinc/11/67/97/553116797.db2.gz IECXJIPVMRSMLM-FXIICAMRSA-N 1 0 386.583 2.667 20 0 GFADRO CC[C@H]1CN(C(=O)Nc2ccc(Br)cc2F)CC[N@@H+]1C[C@H](C)O ZINC000247077656 553118369 /nfs/dbraw/zinc/11/83/69/553118369.db2.gz OZXQYPFCDBWEBZ-AAEUAGOBSA-N 1 0 388.281 2.897 20 0 GFADRO Cc1cc(S(=O)(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)ccc1Br ZINC000247352287 553121562 /nfs/dbraw/zinc/12/15/62/553121562.db2.gz IFNFLYQRZFIQJO-XJKSGUPXSA-N 1 0 387.343 2.862 20 0 GFADRO C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000247550098 553124307 /nfs/dbraw/zinc/12/43/07/553124307.db2.gz ZEOALPSUQQFMRK-FRRDWIJNSA-N 1 0 384.307 2.807 20 0 GFADRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3n[nH]c4ccc(Br)cc43)CC[C@H]21 ZINC000248164731 553127553 /nfs/dbraw/zinc/12/75/53/553127553.db2.gz SSXLRIWKFGFSKQ-XHDPSFHLSA-N 1 0 377.286 2.882 20 0 GFADRO CCC[N@@H+]1CC[C@@H](CNC(=O)N[C@H](CO)c2cccc(Br)c2)C1 ZINC000248174959 553127926 /nfs/dbraw/zinc/12/79/26/553127926.db2.gz VKKUARMRJFBFHP-XJKSGUPXSA-N 1 0 384.318 2.514 20 0 GFADRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)CCC[S@@](=O)c3ccc(Br)cc3)C[C@@H]12 ZINC000248580494 553130964 /nfs/dbraw/zinc/13/09/64/553130964.db2.gz FFVNWNCTSDODSY-SYEKIAOSSA-N 1 0 399.354 2.533 20 0 GFADRO C[S@](=O)C[C@H]([NH2+]C[C@@H](O)COCc1ccccc1Cl)c1ccccc1 ZINC000248593193 553131063 /nfs/dbraw/zinc/13/10/63/553131063.db2.gz RWXJQXHJZKDJHV-MIAKESKMSA-N 1 0 381.925 2.927 20 0 GFADRO CCOc1c(Br)cc(C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc1OC ZINC000248585138 553131120 /nfs/dbraw/zinc/13/11/20/553131120.db2.gz FZYQNBOTOADYPJ-VHRBIJSZSA-N 1 0 383.286 2.666 20 0 GFADRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)Nc1cc(Cl)c(F)c(Cl)c1 ZINC000248658150 553132247 /nfs/dbraw/zinc/13/22/47/553132247.db2.gz FWRYVTVAFOTKKN-NOZJJQNGSA-N 1 0 376.259 2.870 20 0 GFADRO C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@@H]2CCc3c2cccc3Br)C[C@H]1C ZINC000248699873 553133065 /nfs/dbraw/zinc/13/30/65/553133065.db2.gz ZKEXBQKHRRMGHC-IIYDPXPESA-N 1 0 396.329 2.533 20 0 GFADRO O=C(C[C@H]1CSCCS1)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000248673877 553133210 /nfs/dbraw/zinc/13/32/10/553133210.db2.gz RZKYVENWKFMKMO-ROUUACIJSA-N 1 0 380.579 2.632 20 0 GFADRO COc1cc(Cl)c(S(=O)(=O)N[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)cc1OC ZINC000248799266 553134916 /nfs/dbraw/zinc/13/49/16/553134916.db2.gz ZQKYKPGWUBZNIK-OLZOCXBDSA-N 1 0 390.933 2.756 20 0 GFADRO C[C@H](CC(=O)Nc1cccc(Br)c1)[N@H+](C)[C@@H](C)C[S@@](C)=O ZINC000248885132 553136846 /nfs/dbraw/zinc/13/68/46/553136846.db2.gz PZURYRQDGCKPFF-SMDDFHAHSA-N 1 0 375.332 2.865 20 0 GFADRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C[C@@H](O)COc1cc(Cl)ccc1Cl ZINC000249391343 553142208 /nfs/dbraw/zinc/14/22/08/553142208.db2.gz QYTJOSNPGKVFRS-DZGCQCFKSA-N 1 0 391.339 2.510 20 0 GFADRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)[C@H]1C[C@@H]1c1ccc(Br)cc1 ZINC000249430418 553142779 /nfs/dbraw/zinc/14/27/79/553142779.db2.gz YYEFRPGVZAYRFE-XYPHTWIQSA-N 1 0 395.341 2.856 20 0 GFADRO CN1CCO[C@H](C(=O)N[C@H](CC2CC2)c2cc(F)cc(Br)c2)C1 ZINC000249519430 553144216 /nfs/dbraw/zinc/14/42/16/553144216.db2.gz UHZBUULAHMXNAT-CVEARBPZSA-N 1 0 385.277 2.876 20 0 GFADRO C[C@@H]1CC[N@H+](CCC(=O)Nc2ccc(Br)cc2F)[C@@H](C(N)=O)C1 ZINC000249537825 553144308 /nfs/dbraw/zinc/14/43/08/553144308.db2.gz CYZGBYPPBUGWAG-QMTHXVAHSA-N 1 0 386.265 2.503 20 0 GFADRO C[C@H](O)C[N@@H+]1CCN(CC(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)[C@H](C)C1 ZINC000249521914 553144342 /nfs/dbraw/zinc/14/43/42/553144342.db2.gz VWESDAMPWLLYTI-RDBSUJKOSA-N 1 0 388.339 2.558 20 0 GFADRO Cc1sc2nc(CS[C@H](C)C(=O)NCCC[NH+](C)C)[nH]c(=O)c2c1C ZINC000253604692 553151456 /nfs/dbraw/zinc/15/14/56/553151456.db2.gz TXYHRMZRETXSFH-GFCCVEGCSA-N 1 0 382.555 2.703 20 0 GFADRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)c3cc(=O)[nH]c4ccc(Br)cc43)C[C@H]12 ZINC000253561484 553151591 /nfs/dbraw/zinc/15/15/91/553151591.db2.gz OTYCYFYDTCSCEA-BIGNPOOSSA-N 1 0 376.254 2.512 20 0 GFADRO O=C(c1ccc(I)c(Cl)c1)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261575764 553153585 /nfs/dbraw/zinc/15/35/85/553153585.db2.gz BTGACFYRKYCOPP-QWRGUYRKSA-N 1 0 390.652 2.626 20 0 GFADRO [NH3+][C@@H]1CN(C(=O)COc2ccc(Br)cc2F)C[C@H]1c1ccccc1 ZINC000261613418 553154099 /nfs/dbraw/zinc/15/40/99/553154099.db2.gz CEPVWHWOPDTKLZ-GOEBONIOSA-N 1 0 393.256 2.920 20 0 GFADRO Cc1cc(C[N@@H+]2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)ccc1Br ZINC000261607069 553154159 /nfs/dbraw/zinc/15/41/59/553154159.db2.gz CWKCNXHNYVTBLH-SJLPKXTDSA-N 1 0 394.357 2.838 20 0 GFADRO Brc1ccc(C[NH+]2CCC(c3nnc4n3CCNC4)CC2)cc1 ZINC000261617488 553154725 /nfs/dbraw/zinc/15/47/25/553154725.db2.gz AZVUQTAHWAYTAD-UHFFFAOYSA-N 1 0 376.302 2.523 20 0 GFADRO [NH3+]C1(c2noc(-c3ccc(Cl)c(S(=O)(=O)N4CCCC4)c3)n2)CCC1 ZINC000261640619 553155174 /nfs/dbraw/zinc/15/51/74/553155174.db2.gz DHHYIRLZFWTNGA-UHFFFAOYSA-N 1 0 382.873 2.512 20 0 GFADRO C[C@H](NC(=O)CC[C@H]1CC[NH2+]C1)c1cc2c(cc1Br)OCCO2 ZINC000261668781 553155525 /nfs/dbraw/zinc/15/55/25/553155525.db2.gz AKNCYINNFBCXNY-RYUDHWBXSA-N 1 0 383.286 2.787 20 0 GFADRO CCOC(=O)c1cc(NC(=O)[C@@](C)([NH3+])c2ccc(Br)cc2)cn1C ZINC000261746871 553157780 /nfs/dbraw/zinc/15/77/80/553157780.db2.gz MHSSETKSTDQUIN-KRWDZBQOSA-N 1 0 394.269 2.777 20 0 GFADRO C[C@@H]1CCN(C(=O)c2cc(=O)[nH]c3c(Br)cccc23)[C@H](C[NH3+])C1 ZINC000261742102 553158076 /nfs/dbraw/zinc/15/80/76/553158076.db2.gz IMWFRSOPLUZIOC-MNOVXSKESA-N 1 0 378.270 2.902 20 0 GFADRO C[C@@H]1CCN(C(=O)c2ccn(-c3cccc(Br)c3)n2)[C@H](C[NH3+])C1 ZINC000261780891 553159302 /nfs/dbraw/zinc/15/93/02/553159302.db2.gz LDXYMURSSKDRIY-DOMZBBRYSA-N 1 0 377.286 2.834 20 0 GFADRO O=C(CN1CCN([C@@H]2CC[NH2+]C2)CC1)Nc1cc(Cl)c(Cl)cc1Cl ZINC000261798210 553159640 /nfs/dbraw/zinc/15/96/40/553159640.db2.gz ZPVQTDXHEZYXHD-LLVKDONJSA-N 1 0 391.730 2.565 20 0 GFADRO CN(C(=O)[C@@H]1CC[C@H](C[NH3+])O1)[C@@H]1CCSc2ccc(Br)cc21 ZINC000261829626 553160454 /nfs/dbraw/zinc/16/04/54/553160454.db2.gz PWZZWRIQGVHPEU-BNOWGMLFSA-N 1 0 385.327 2.951 20 0 GFADRO C[NH2+][C@H](C)Cc1noc(-c2nnn(-c3cccc(Br)c3)c2C)n1 ZINC000261854041 553161262 /nfs/dbraw/zinc/16/12/62/553161262.db2.gz TUUXJLOEWAUKKZ-SECBINFHSA-N 1 0 377.246 2.539 20 0 GFADRO C[NH2+][C@H](C)Cc1noc([C@@H]2CCCN2C(=O)c2ccc(Br)cc2)n1 ZINC000261904051 553162282 /nfs/dbraw/zinc/16/22/82/553162282.db2.gz YVKSLRAEBRQKPE-RISCZKNCSA-N 1 0 393.285 2.960 20 0 GFADRO COc1cc(NC(=O)[C@]2([NH3+])[C@@H]3CCCO[C@@H]3C2(C)C)ccc1Br ZINC000261937169 553162697 /nfs/dbraw/zinc/16/26/97/553162697.db2.gz UCPXWXLZAFBJGM-HYSWKAIVSA-N 1 0 383.286 2.929 20 0 GFADRO CC(=O)NCc1ccc(-c2nc(NC(=O)[C@H](C)C3C[NH2+]C3)sc2C)s1 ZINC000262018978 553164514 /nfs/dbraw/zinc/16/45/14/553164514.db2.gz CRZMHHXABWLJCI-SECBINFHSA-N 1 0 378.523 2.610 20 0 GFADRO O=C(N1CCc2cc(Cl)cc(Cl)c2C1)C1(n2cccn2)CC[NH2+]CC1 ZINC000262031766 553164877 /nfs/dbraw/zinc/16/48/77/553164877.db2.gz XMPXUUMQPCYROW-UHFFFAOYSA-N 1 0 379.291 2.854 20 0 GFADRO [NH3+]CCN(CCc1ccccc1)S(=O)(=O)Cc1ccc(Br)cc1 ZINC000262082567 553165441 /nfs/dbraw/zinc/16/54/41/553165441.db2.gz TYFARFKCTYVWCM-UHFFFAOYSA-N 1 0 397.338 2.782 20 0 GFADRO O=C(C[C@H]1COCC[NH2+]1)Nc1nc(-c2cc(Br)cs2)cs1 ZINC000262284280 553168590 /nfs/dbraw/zinc/16/85/90/553168590.db2.gz XPMJWZLTLILXCI-VIFPVBQESA-N 1 0 388.312 2.951 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H](C(=O)N2CCN(C(=O)c3cc4sccc4s3)CC2)C1 ZINC000262311530 553168824 /nfs/dbraw/zinc/16/88/24/553168824.db2.gz SRJIKAGHFLIPSH-CHWSQXEVSA-N 1 0 377.535 2.765 20 0 GFADRO O=S(=O)(NC[C@@H]1[NH2+]CCc2ccccc21)c1cc(F)ccc1Br ZINC000262352645 553169969 /nfs/dbraw/zinc/16/99/69/553169969.db2.gz URRXUASNPHUQBT-HNNXBMFYSA-N 1 0 399.285 2.754 20 0 GFADRO COCC[C@H](Cc1cccc(Br)c1)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000262600925 553172993 /nfs/dbraw/zinc/17/29/93/553172993.db2.gz XFOJEXYLUVIORP-GOEBONIOSA-N 1 0 383.330 2.760 20 0 GFADRO COCC[C@H](Cc1cccc(Br)c1)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000262600924 553173010 /nfs/dbraw/zinc/17/30/10/553173010.db2.gz XFOJEXYLUVIORP-GDBMZVCRSA-N 1 0 383.330 2.760 20 0 GFADRO C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)C[NH2+]CC2CC2)CC1 ZINC000262654635 553173537 /nfs/dbraw/zinc/17/35/37/553173537.db2.gz CGDPODVZKMFXSD-AWEZNQCLSA-N 1 0 380.330 2.654 20 0 GFADRO Cc1c(C(=O)N[C@@H]2CC[NH2+]C[C@H]2C)cnn1-c1cccc(Br)c1 ZINC000262726608 553174722 /nfs/dbraw/zinc/17/47/22/553174722.db2.gz HKUFPDFLXWMNIT-BDJLRTHQSA-N 1 0 377.286 2.671 20 0 GFADRO Cc1c(C(=O)N[C@H]2CC[NH2+][C@@H](C)C2)cnn1-c1cccc(Br)c1 ZINC000262797031 553176395 /nfs/dbraw/zinc/17/63/95/553176395.db2.gz DTMQCHSVNGGJLT-FZMZJTMJSA-N 1 0 377.286 2.814 20 0 GFADRO Cc1c(C(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)cnn1-c1ccc(Br)cc1 ZINC000262871297 553177598 /nfs/dbraw/zinc/17/75/98/553177598.db2.gz VBSOMRKPZABQOG-MEDUHNTESA-N 1 0 377.286 2.671 20 0 GFADRO C[C@@H](CNC(=O)c1csc(-c2ccc(Cl)cc2)n1)N1CC[NH+](C)CC1 ZINC000263702571 553191555 /nfs/dbraw/zinc/19/15/55/553191555.db2.gz BRRQAHNJQAPUCS-ZDUSSCGKSA-N 1 0 378.929 2.829 20 0 GFADRO C[C@@H]1C[NH+](CC2CCN(C(=O)c3cncc(Br)c3)CC2)C[C@@H](C)O1 ZINC000263783948 553193385 /nfs/dbraw/zinc/19/33/85/553193385.db2.gz OOHLLSGKQVRGFO-ZIAGYGMSSA-N 1 0 396.329 2.806 20 0 GFADRO Cc1c(I)cccc1C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000368613313 563875178 /nfs/dbraw/zinc/87/51/78/563875178.db2.gz MVCKWMRXZWNSSM-WHOFXGATSA-N 1 0 384.261 2.799 20 0 GFADRO CCCC[N@H+](C)CCNC(=O)C(=O)Nc1cc(F)c(Br)c(F)c1 ZINC000538171911 564184599 /nfs/dbraw/zinc/18/45/99/564184599.db2.gz RGCJJTKSSZNGGD-UHFFFAOYSA-N 1 0 392.244 2.514 20 0 GFADRO Cc1cc(Br)ccc1S(=O)(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000473943201 564258683 /nfs/dbraw/zinc/25/86/83/564258683.db2.gz WWHPGMXJNZXASC-ZDUSSCGKSA-N 1 0 375.332 2.910 20 0 GFADRO Cc1csc(=O)n1CCN(C)CC(=O)Nc1ccccc1Br ZINC000510415164 564333028 /nfs/dbraw/zinc/33/30/28/564333028.db2.gz QIOICFQJFXXAKO-UHFFFAOYSA-N 1 0 384.299 2.551 20 0 GFADRO O=C(NC[C@H]1CCC[N@H+]1CCCO)c1ccc(Br)c(Cl)c1F ZINC000452348397 564406413 /nfs/dbraw/zinc/40/64/13/564406413.db2.gz ADYCKNZMXXYYOF-SNVBAGLBSA-N 1 0 393.684 2.818 20 0 GFADRO CC[C@@H](CNS(C)(=O)=O)[NH2+][C@@H](c1ccc(Br)cc1)C1CC1 ZINC000453272169 564452009 /nfs/dbraw/zinc/45/20/09/564452009.db2.gz AGNNERPNNMAOTG-LSDHHAIUSA-N 1 0 375.332 2.818 20 0 GFADRO CC[C@@H](CNS(C)(=O)=O)[NH2+][C@@H]1CCSc2ccc(Br)cc21 ZINC000453295447 564452657 /nfs/dbraw/zinc/45/26/57/564452657.db2.gz YBFUJDJYUOILQK-WCQYABFASA-N 1 0 393.372 2.903 20 0 GFADRO COCCN(Cc1cc(Br)cs1)C(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000418587185 563220953 /nfs/dbraw/zinc/22/09/53/563220953.db2.gz GKIVQUYBHWSRBW-FZMZJTMJSA-N 1 0 390.347 2.667 20 0 GFADRO CCOCCCC[NH2+]Cc1cc(Br)ccc1O[C@H](C)C(=O)NC ZINC000296584290 563293638 /nfs/dbraw/zinc/29/36/38/563293638.db2.gz XBOZGRMLMSAMDM-CYBMUJFWSA-N 1 0 387.318 2.869 20 0 GFADRO CC(C)(C[NH+]1CCCC1)NC(=O)c1csc(I)c1 ZINC000308677745 563435039 /nfs/dbraw/zinc/43/50/39/563435039.db2.gz UNDWEMCRBWRXAL-UHFFFAOYSA-N 1 0 378.279 2.957 20 0 GFADRO [NH3+]CC[C@@H](NC(=O)NCCc1c[nH]c2cccc(Br)c12)C(F)F ZINC000418204714 563213522 /nfs/dbraw/zinc/21/35/22/563213522.db2.gz XZLGYXQAXBPWBS-GFCCVEGCSA-N 1 0 389.244 2.755 20 0 GFADRO O=C(NCC1(c2ccccc2Br)CCC1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000418222306 563214011 /nfs/dbraw/zinc/21/40/11/563214011.db2.gz UKSWRNPNKADNPA-CJNGLKHVSA-N 1 0 378.314 2.874 20 0 GFADRO CN(C)C(=O)[C@@H]1CCCN1C(=O)C1CC[NH+](Cc2ccc(Cl)s2)CC1 ZINC000369405147 563214229 /nfs/dbraw/zinc/21/42/29/563214229.db2.gz XYUPLAJINNRKEU-HNNXBMFYSA-N 1 0 383.945 2.693 20 0 GFADRO O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)N[C@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC000418217384 563214251 /nfs/dbraw/zinc/21/42/51/563214251.db2.gz LGFMZWTYZCKYLT-LQKXBSAESA-N 1 0 389.297 2.825 20 0 GFADRO CC[NH+](CC)[C@H](CNC(=O)c1c(Br)cnn1C)c1ccccc1 ZINC000294734054 563214601 /nfs/dbraw/zinc/21/46/01/563214601.db2.gz JFYRYOGTPKNIPE-OAHLLOKOSA-N 1 0 379.302 2.996 20 0 GFADRO Cc1cc(N2CC[C@@H]([NH2+][C@H]3CCc4sc(Br)cc43)C2=O)n(C)n1 ZINC000294723043 563214853 /nfs/dbraw/zinc/21/48/53/563214853.db2.gz KEIKYFGRAWGNHX-NWDGAFQWSA-N 1 0 395.326 2.935 20 0 GFADRO CC(C)[C@H]([NH3+])CCN(C)C(=O)NCc1nc2c(cccc2Br)[nH]1 ZINC000418260711 563215083 /nfs/dbraw/zinc/21/50/83/563215083.db2.gz GZCYKBXUXULSJU-GFCCVEGCSA-N 1 0 382.306 2.840 20 0 GFADRO O=C(NCCCN1CC[NH2+]CC1)N1CCC[C@@H]1c1cccc(Br)c1 ZINC000418285577 563215301 /nfs/dbraw/zinc/21/53/01/563215301.db2.gz GBJUENMDGHOECH-QGZVFWFLSA-N 1 0 395.345 2.591 20 0 GFADRO O=C1NC(=O)C2(CC[NH+](Cc3cccc4c(Br)cccc34)CC2)N1 ZINC000277588468 563215439 /nfs/dbraw/zinc/21/54/39/563215439.db2.gz ZVBDSEGGAUZYLF-UHFFFAOYSA-N 1 0 388.265 2.776 20 0 GFADRO O=C(NC1CC[NH2+]CC1)N1CCC[C@H]1c1ccc(I)cc1 ZINC000418309176 563215722 /nfs/dbraw/zinc/21/57/22/563215722.db2.gz NFSSYFXAVGEOND-HNNXBMFYSA-N 1 0 399.276 2.890 20 0 GFADRO CCCN(C(=O)NCCN1CC[NH2+]CC1)[C@H](C)c1ccccc1Br ZINC000418310909 563215819 /nfs/dbraw/zinc/21/58/19/563215819.db2.gz ZAPYNHKQDRZTBJ-OAHLLOKOSA-N 1 0 397.361 2.837 20 0 GFADRO CC(C)[C@@](C)(NC(=O)NCCN1CC[NH2+]CC1)c1ccc(Br)cc1 ZINC000418304162 563215821 /nfs/dbraw/zinc/21/58/21/563215821.db2.gz XGEJDHJOVZICHM-GOSISDBHSA-N 1 0 397.361 2.525 20 0 GFADRO CC(C)[C@@H]([NH3+])CNC(=O)N1CCO[C@@H](c2ccc(F)c(Br)c2)C1 ZINC000418384583 563216441 /nfs/dbraw/zinc/21/64/41/563216441.db2.gz KJAKZBGSZGQCQY-LSDHHAIUSA-N 1 0 388.281 2.654 20 0 GFADRO C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)NC[C@H]2CCC[NH2+]2)CC1 ZINC000418361774 563216616 /nfs/dbraw/zinc/21/66/16/563216616.db2.gz HDKVEXVWUUWYIV-RHSMWYFYSA-N 1 0 395.345 2.589 20 0 GFADRO CC(C)[C@H]([NH3+])CNC(=O)N1CCO[C@H](c2ccc(Br)cc2)[C@H]1C ZINC000418391248 563216620 /nfs/dbraw/zinc/21/66/20/563216620.db2.gz UNVXSSIHNQHTRM-WQVCFCJDSA-N 1 0 384.318 2.904 20 0 GFADRO CC(C)(COc1ncccc1Br)NC(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000418423572 563217078 /nfs/dbraw/zinc/21/70/78/563217078.db2.gz JKWLLWUIJIRMCW-OCCSQVGLSA-N 1 0 399.333 2.818 20 0 GFADRO CSc1ccc([C@@H](CNC(=O)CSc2cccc[n+]2[O-])[NH+](C)C)cc1 ZINC000294791069 563217165 /nfs/dbraw/zinc/21/71/65/563217165.db2.gz KNBVXETYNICXOS-MRXNPFEDSA-N 1 0 377.535 2.553 20 0 GFADRO [NH3+]C[C@@H](NC(=O)N1CCC[C@@H]1C(=O)Nc1cc(Cl)cc(Cl)c1)C1CC1 ZINC000418406683 563217224 /nfs/dbraw/zinc/21/72/24/563217224.db2.gz SEQPPIDBUPNPEG-HUUCEWRRSA-N 1 0 385.295 2.843 20 0 GFADRO CC(C)C[C@@H](C[NH3+])NC(=O)N1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000418422326 563217309 /nfs/dbraw/zinc/21/73/09/563217309.db2.gz AMWNVKMUCGYENR-JKSUJKDBSA-N 1 0 384.318 2.905 20 0 GFADRO CC[C@H](c1ccc(Br)cc1)N1CCN(C(=O)N[C@@H](C)CC[NH3+])CC1 ZINC000418553749 563220037 /nfs/dbraw/zinc/22/00/37/563220037.db2.gz MVBVVIBKBNJZOM-WMLDXEAASA-N 1 0 397.361 2.965 20 0 GFADRO C[NH+]1CCC(n2ccc(NC(=O)NCc3cc(Br)cs3)n2)CC1 ZINC000369650992 563220519 /nfs/dbraw/zinc/22/05/19/563220519.db2.gz YUVMMTSGYVFSKM-UHFFFAOYSA-N 1 0 398.330 3.296 20 0 GFADRO O=C1CC[C@H](C[NH+]2CCN(Cc3cc(Br)ccc3F)CC2)CCN1 ZINC000294892635 563221056 /nfs/dbraw/zinc/22/10/56/563221056.db2.gz BCKITUGIXFKPTG-AWEZNQCLSA-N 1 0 398.320 2.622 20 0 GFADRO O=C(NCCC1=CC[NH2+]CC1)N1CCc2c(Br)ccc(F)c2C1 ZINC000418647100 563221515 /nfs/dbraw/zinc/22/15/15/563221515.db2.gz TURGZXCFXGNBFR-UHFFFAOYSA-N 1 0 382.277 2.966 20 0 GFADRO CN(C)C(=O)CN1CCC([NH2+][C@@H]2CCc3c2ccc(F)c3Br)CC1 ZINC000294932998 563222105 /nfs/dbraw/zinc/22/21/05/563222105.db2.gz DJJVZOCZYBYLEC-MRXNPFEDSA-N 1 0 398.320 2.718 20 0 GFADRO CC[C@H]([NH3+])CNC(=O)N(CCc1ccc(Cl)cc1)C[C@@H](O)C(F)(F)F ZINC000418699753 563222550 /nfs/dbraw/zinc/22/25/50/563222550.db2.gz BAUIJPSUCVVQNO-UONOGXRCSA-N 1 0 381.826 2.555 20 0 GFADRO CC[C@@H]([NH3+])CNC(=O)N1CCC[C@H]1c1ccccc1I ZINC000418714649 563222688 /nfs/dbraw/zinc/22/26/88/563222688.db2.gz QOSPHJOYUBAEBF-RISCZKNCSA-N 1 0 387.265 2.875 20 0 GFADRO C[C@H]([NH3+])[C@H](C)NC(=O)N[C@@H](CO)c1ccc(Br)cc1C(F)(F)F ZINC000418732577 563223379 /nfs/dbraw/zinc/22/33/79/563223379.db2.gz UWKCFWPWIDMFRU-UBJUHAIHSA-N 1 0 398.223 2.536 20 0 GFADRO [NH3+][C@H]1CCC[C@H](CNC(=O)N(CCO)Cc2ccc(Br)s2)C1 ZINC000418728049 563223432 /nfs/dbraw/zinc/22/34/32/563223432.db2.gz QVGKPJPZKNSVST-RYUDHWBXSA-N 1 0 390.347 2.532 20 0 GFADRO O=C(CC[N@H+]1CCC[C@@H]([C@@H](O)C(F)(F)F)C1)NCc1ccccc1Cl ZINC000277739011 563223593 /nfs/dbraw/zinc/22/35/93/563223593.db2.gz KOEWGNHTMCOAOZ-CZUORRHYSA-N 1 0 378.822 2.982 20 0 GFADRO CN(C(=O)N[C@@H](CC[NH3+])C(F)F)[C@@H]1CCOc2ccc(Br)cc21 ZINC000418739307 563223743 /nfs/dbraw/zinc/22/37/43/563223743.db2.gz MLYAMWKWJMBONB-NWDGAFQWSA-N 1 0 392.244 2.897 20 0 GFADRO O=C(N[C@@H]1C[NH2+]CCC1(F)F)N1CC[C@H](c2cccc(Br)c2)C1 ZINC000418750886 563224193 /nfs/dbraw/zinc/22/41/93/563224193.db2.gz PMONALQGEKBXHP-GXTWGEPZSA-N 1 0 388.256 2.945 20 0 GFADRO O=C(N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)N1CCc2cccc(Br)c2C1 ZINC000418807030 563225719 /nfs/dbraw/zinc/22/57/19/563225719.db2.gz YULMWMKGQVAQTO-RBSFLKMASA-N 1 0 378.314 2.905 20 0 GFADRO O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)c1cccc(F)c1Br ZINC000295034958 563226159 /nfs/dbraw/zinc/22/61/59/563226159.db2.gz OYHBFGVVAFNIGX-LBPRGKRZSA-N 1 0 385.277 2.819 20 0 GFADRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000418822163 563226752 /nfs/dbraw/zinc/22/67/52/563226752.db2.gz WBWFDELXFKZPDW-CWRNSKLLSA-N 1 0 386.323 2.797 20 0 GFADRO C[NH2+]C[C@H]1CCCN(C(=O)C(=O)N[C@H](C)c2cc(F)c(Cl)cc2Cl)C1 ZINC000418848177 563227093 /nfs/dbraw/zinc/22/70/93/563227093.db2.gz KVRANULRIABXDM-GHMZBOCLSA-N 1 0 390.286 2.768 20 0 GFADRO O=C(Cc1cc[nH]c(=O)c1Br)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000277917049 563232050 /nfs/dbraw/zinc/23/20/50/563232050.db2.gz GNNOMTPOLVPAHM-UHFFFAOYSA-N 1 0 382.302 2.569 20 0 GFADRO C[C@H]([NH2+]C[C@@H]1CCC[C@@]12NC(=O)N(C)C2=O)c1cc(Br)cs1 ZINC000370094946 563233009 /nfs/dbraw/zinc/23/30/09/563233009.db2.gz QIOJDCZJIIRKGV-AMJWSMQMSA-N 1 0 386.315 2.882 20 0 GFADRO CN(C(=O)C(=O)N[C@@H]1CCc2c1ccc(Cl)c2Cl)[C@H]1CCC[NH2+]CC1 ZINC000419111029 563233840 /nfs/dbraw/zinc/23/38/40/563233840.db2.gz ZQNIVPLKELGRQG-XHDPSFHLSA-N 1 0 384.307 2.697 20 0 GFADRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)NCC1(c2ccc(Cl)cc2Cl)CCC1 ZINC000419133736 563234361 /nfs/dbraw/zinc/23/43/61/563234361.db2.gz GGNXMDWEJHOLGJ-GFCCVEGCSA-N 1 0 386.323 2.503 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)[C@H]2CCCN2C(=O)c2ccc(Cl)s2)C1 ZINC000370139442 563235081 /nfs/dbraw/zinc/23/50/81/563235081.db2.gz WTBXWXCQARZICA-BFHYXJOUSA-N 1 0 383.945 2.995 20 0 GFADRO [NH3+]C1(CNC(=O)C(=O)N[C@@H]2CCSc3ccc(Cl)cc32)CCCCC1 ZINC000419223200 563235178 /nfs/dbraw/zinc/23/51/78/563235178.db2.gz YDZMVVDWMZONMB-CQSZACIVSA-N 1 0 381.929 2.771 20 0 GFADRO C[C@H]([NH3+])C1CCN(C(=O)C(=O)N[C@H]2CCSc3ccc(Cl)cc32)CC1 ZINC000419241809 563235442 /nfs/dbraw/zinc/23/54/42/563235442.db2.gz SARYHYOFUSETPS-NHYWBVRUSA-N 1 0 381.929 2.579 20 0 GFADRO CCn1ccnc1CN(C(=O)CSC(F)(F)F)[C@H]1CC12CC[NH2+]CC2 ZINC000370163926 563235596 /nfs/dbraw/zinc/23/55/96/563235596.db2.gz QZRYWTGICLSWTB-LBPRGKRZSA-N 1 0 376.448 2.627 20 0 GFADRO C[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000419273781 563236361 /nfs/dbraw/zinc/23/63/61/563236361.db2.gz AVBWRXSPFJOTIR-STQMWFEESA-N 1 0 386.323 2.547 20 0 GFADRO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N[C@@H](C)Cc1ccc(Cl)cc1Cl ZINC000419279054 563236440 /nfs/dbraw/zinc/23/64/40/563236440.db2.gz IMYAELITUXDYTN-BLLLJJGKSA-N 1 0 388.339 2.872 20 0 GFADRO NC(=O)[C@@H]([NH2+][C@H]1CCN(c2ccc(F)cc2)C1)c1cccc(Br)c1 ZINC000419335154 563238006 /nfs/dbraw/zinc/23/80/06/563238006.db2.gz JMNDNOAASASKOR-RDJZCZTQSA-N 1 0 392.272 2.983 20 0 GFADRO COC(=O)CNC(=O)[C@H]1CCC[N@@H+]1CC/C=C/c1ccc(Br)cc1 ZINC000419344452 563238081 /nfs/dbraw/zinc/23/80/81/563238081.db2.gz HYYZMPGJBAHGHX-OUGHUQCRSA-N 1 0 395.297 2.606 20 0 GFADRO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)NC/C=C\c1ccc(Br)cc1 ZINC000419519060 563241141 /nfs/dbraw/zinc/24/11/41/563241141.db2.gz FLWOHJUDPPKRMG-LPUOJRKPSA-N 1 0 396.329 2.559 20 0 GFADRO CCCN(C(=O)C(=O)NC[C@@H](C)c1c(Cl)cccc1Cl)[C@H]1CC[NH2+]C1 ZINC000419515104 563241167 /nfs/dbraw/zinc/24/11/67/563241167.db2.gz ISDPGGRHAHUNMO-OLZOCXBDSA-N 1 0 386.323 2.814 20 0 GFADRO COc1cc(Br)ccc1CCCN1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000370359955 563241597 /nfs/dbraw/zinc/24/15/97/563241597.db2.gz WZLAGWQUDZIMOY-MSOLQXFVSA-N 1 0 397.357 2.921 20 0 GFADRO CN1CCC[C@@]2(CC[N@H+](CCC(=O)Nc3ccc(Br)cc3)C2)C1=O ZINC000370410304 563242326 /nfs/dbraw/zinc/24/23/26/563242326.db2.gz NGPXNBSTOKPLHA-SFHVURJKSA-N 1 0 394.313 2.722 20 0 GFADRO C[C@H](C(=O)Nc1cccc(Br)c1)[N@@H+]1CC[C@@]2(C1)CCCN(C)C2=O ZINC000370404770 563242583 /nfs/dbraw/zinc/24/25/83/563242583.db2.gz IVJZZTJRMGPIMW-FZKQIMNGSA-N 1 0 394.313 2.720 20 0 GFADRO CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)Cc3cccc(Br)c3)C2)CC1 ZINC000370426643 563243140 /nfs/dbraw/zinc/24/31/40/563243140.db2.gz YYYWROLQDWXKML-GOSISDBHSA-N 1 0 394.357 2.619 20 0 GFADRO Cc1c(Br)cccc1C(=O)N1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000370426258 563243384 /nfs/dbraw/zinc/24/33/84/563243384.db2.gz WULQZSYMVCUVDU-INIZCTEOSA-N 1 0 394.357 2.998 20 0 GFADRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)[C@H]1CCCN1C(=O)c1ccc(Cl)s1 ZINC000370472501 563244920 /nfs/dbraw/zinc/24/49/20/563244920.db2.gz OJNPIYOFTAWAEH-KWCYVHTRSA-N 1 0 381.929 2.605 20 0 GFADRO CN(C)c1ncc(C[NH2+][C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)n1C ZINC000419694386 563246284 /nfs/dbraw/zinc/24/62/84/563246284.db2.gz QAEJPYVTZOXBEZ-HNNXBMFYSA-N 1 0 382.295 2.688 20 0 GFADRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C(=O)NCC(C)(C)c1c(Cl)cccc1Cl ZINC000419697741 563246831 /nfs/dbraw/zinc/24/68/31/563246831.db2.gz RMBQEIBKWBLRLR-FZMZJTMJSA-N 1 0 386.323 2.644 20 0 GFADRO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NCC(C)(C)c1c(Cl)cccc1Cl ZINC000419699635 563246863 /nfs/dbraw/zinc/24/68/63/563246863.db2.gz WTPPGHHUEBXMSG-GFCCVEGCSA-N 1 0 386.323 2.598 20 0 GFADRO C[C@H](NC(=O)C(=O)NC[C@H]([NH3+])c1ccccc1)c1ccc(Br)s1 ZINC000419705845 563247000 /nfs/dbraw/zinc/24/70/00/563247000.db2.gz JFPCSMDQBRCFPI-JQWIXIFHSA-N 1 0 396.310 2.504 20 0 GFADRO Cc1c2cc(Cl)ccc2sc1CNC(=O)C(=O)N[C@@H]1CCC[NH2+][C@@H]1C ZINC000419721056 563247884 /nfs/dbraw/zinc/24/78/84/563247884.db2.gz YSMBXTZOZHBPBX-BXUZGUMPSA-N 1 0 379.913 2.736 20 0 GFADRO Cc1c2cc(Cl)ccc2sc1CNC(=O)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000419720384 563248440 /nfs/dbraw/zinc/24/84/40/563248440.db2.gz XYNIPQKISMONRX-CYBMUJFWSA-N 1 0 379.913 2.738 20 0 GFADRO CC[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)N1C[C@@H](C[NH3+])C[C@@H]1C ZINC000419745952 563249014 /nfs/dbraw/zinc/24/90/14/563249014.db2.gz BFXMRHKCYPKWCT-YWPYICTPSA-N 1 0 386.323 2.626 20 0 GFADRO CC[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)N1CCC(C[NH3+])CC1 ZINC000419758368 563250471 /nfs/dbraw/zinc/25/04/71/563250471.db2.gz VYZPYDQUANDTJF-OAHLLOKOSA-N 1 0 386.323 2.628 20 0 GFADRO O=C(NCc1ccc(Cl)cc1Cl)C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000419799829 563251190 /nfs/dbraw/zinc/25/11/90/563251190.db2.gz XTXOOHKRCCQHRC-MRXNPFEDSA-N 1 0 384.307 2.600 20 0 GFADRO CC(C)CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000419892722 563252519 /nfs/dbraw/zinc/25/25/19/563252519.db2.gz URUZWOVLWLTCPB-AWEZNQCLSA-N 1 0 386.323 2.846 20 0 GFADRO CCCN(Cc1ccccc1Br)C(=O)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000419864649 563252715 /nfs/dbraw/zinc/25/27/15/563252715.db2.gz FVBUJHNRVSFLEO-LSDHHAIUSA-N 1 0 396.329 2.574 20 0 GFADRO C[C@H]1c2c(Cl)cc(Cl)cc2CCN1C(=O)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000419922220 563253128 /nfs/dbraw/zinc/25/31/28/563253128.db2.gz ZEYDYQUKHQSBNX-RYUDHWBXSA-N 1 0 384.307 2.555 20 0 GFADRO CSc1ccc([C@H](CN2C(=O)N[C@@H](CC(F)(F)F)C2=O)[NH+](C)C)cc1 ZINC000419971048 563254373 /nfs/dbraw/zinc/25/43/73/563254373.db2.gz VXQYOGYHNAXKRG-STQMWFEESA-N 1 0 375.416 2.884 20 0 GFADRO O=C(C[NH2+]CC1CC1)N1CCC[C@H]1c1ccccc1I ZINC000370771995 563254793 /nfs/dbraw/zinc/25/47/93/563254793.db2.gz JBSUJCNIMDXSLW-HNNXBMFYSA-N 1 0 384.261 2.954 20 0 GFADRO C[NH+](C)CC[C@](C)(O)CNC(=O)CCCC(=O)c1ccc(Br)cc1 ZINC000419995875 563255930 /nfs/dbraw/zinc/25/59/30/563255930.db2.gz KMVCGBLMNHLPND-SFHVURJKSA-N 1 0 399.329 2.621 20 0 GFADRO O=C(Cc1ccccc1I)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000370805814 563256366 /nfs/dbraw/zinc/25/63/66/563256366.db2.gz JQNOESFYZBFDTB-UONOGXRCSA-N 1 0 384.261 2.577 20 0 GFADRO Cc1ncsc1CCS(=O)(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000295662746 563256796 /nfs/dbraw/zinc/25/67/96/563256796.db2.gz ILSHLOKXBFKWAU-OAHLLOKOSA-N 1 0 399.607 2.887 20 0 GFADRO C[NH+](C)CC[C@](C)(O)CNC(=O)c1ccc(Br)c(C(F)(F)F)c1 ZINC000420014674 563256854 /nfs/dbraw/zinc/25/68/54/563256854.db2.gz KYZJSTNSWGFYHC-AWEZNQCLSA-N 1 0 397.235 2.900 20 0 GFADRO NC(=O)c1ccccc1N1CC[C@H]([NH2+]Cc2cc(Br)cs2)C1 ZINC000370831515 563257086 /nfs/dbraw/zinc/25/70/86/563257086.db2.gz VJDPZUBJLZUWGH-LBPRGKRZSA-N 1 0 380.311 2.978 20 0 GFADRO CN(C(=O)c1ccc(Br)s1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000370832735 563257116 /nfs/dbraw/zinc/25/71/16/563257116.db2.gz ZJVXOTWIIBXMDD-CYBMUJFWSA-N 1 0 386.359 2.751 20 0 GFADRO COC[C@@H](C)OC[C@H](O)C[N@H+](Cc1csc(Br)c1)C1CC1 ZINC000278459995 563257408 /nfs/dbraw/zinc/25/74/08/563257408.db2.gz YTQQORRUJDVJBM-BXUZGUMPSA-N 1 0 378.332 2.887 20 0 GFADRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000420110046 563258055 /nfs/dbraw/zinc/25/80/55/563258055.db2.gz ZCVXUEOHHABFDQ-LYRGGWFBSA-N 1 0 384.307 2.771 20 0 GFADRO CCCC[C@@H](C[NH3+])NC(=O)C(=O)N(Cc1cccc(Br)c1)C1CC1 ZINC000420121455 563258695 /nfs/dbraw/zinc/25/86/95/563258695.db2.gz LRNNGCBERCVSBC-HNNXBMFYSA-N 1 0 396.329 2.574 20 0 GFADRO C[C@@H]1CN(C(=O)c2c[nH]c3ncc(Br)cc23)CC[N@@H+](C2CC2)C1 ZINC000295713724 563259717 /nfs/dbraw/zinc/25/97/17/563259717.db2.gz PQPHYBVEGWCFSY-NSHDSACASA-N 1 0 377.286 2.882 20 0 GFADRO O=C(CN1CCCC[C@H]1[C@H]1CC[NH2+]C1)Nc1ccc(Br)cc1F ZINC000420402044 563262786 /nfs/dbraw/zinc/26/27/86/563262786.db2.gz PWZTXIPWGZHRSW-LRDDRELGSA-N 1 0 384.293 2.991 20 0 GFADRO C[C@@H](NC(=O)CN1CCC[C@@]2(CC[NH2+]C2)C1)c1ccc(Br)cc1 ZINC000420374374 563262920 /nfs/dbraw/zinc/26/29/20/563262920.db2.gz NRFBPPAZFXSJHP-KDOFPFPSSA-N 1 0 380.330 2.702 20 0 GFADRO [NH3+][C@@H]1CN(CC(=O)Nc2ccccc2Br)C[C@H]1c1ccccc1F ZINC000420413680 563263683 /nfs/dbraw/zinc/26/36/83/563263683.db2.gz ZXFPCYOGAIJXEK-XJKSGUPXSA-N 1 0 392.272 2.953 20 0 GFADRO C[C@H]1CCN(Cc2nc(Cc3cccc(Br)c3)no2)C[C@H]1C[NH3+] ZINC000420415696 563263691 /nfs/dbraw/zinc/26/36/91/563263691.db2.gz VCGIWYVRRNQLJX-GXTWGEPZSA-N 1 0 379.302 2.840 20 0 GFADRO CC1(C)C[NH2+]CC[C@H]1NS(=O)(=O)c1cc(Br)ccc1Cl ZINC000420459140 563264396 /nfs/dbraw/zinc/26/43/96/563264396.db2.gz JWKRMKXHKPJKOY-GFCCVEGCSA-N 1 0 381.723 2.769 20 0 GFADRO Cn1cc(N2CC[C@H]([NH2+][C@H]3CCc4c3ccc(F)c4Br)C2=O)cn1 ZINC000295829063 563264790 /nfs/dbraw/zinc/26/47/90/563264790.db2.gz VFPVVRUOTKUBFC-GJZGRUSLSA-N 1 0 393.260 2.704 20 0 GFADRO [NH3+][C@@H]1CN(S(=O)(=O)c2c(Cl)ccc(F)c2F)C[C@H]1c1cccc(F)c1 ZINC000420469449 563265073 /nfs/dbraw/zinc/26/50/73/563265073.db2.gz JISGWMROFVJTBD-SMDDNHRTSA-N 1 0 390.814 2.873 20 0 GFADRO Cc1ccc(Br)cc1S(=O)(=O)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420472711 563265204 /nfs/dbraw/zinc/26/52/04/563265204.db2.gz ZYXKMJNAAQMLHP-DZGCQCFKSA-N 1 0 387.343 2.910 20 0 GFADRO COc1ccc(Cl)c(S(=O)(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)c1 ZINC000420475060 563266034 /nfs/dbraw/zinc/26/60/34/563266034.db2.gz ZLALGOASYPRMFW-GOEBONIOSA-N 1 0 384.860 2.603 20 0 GFADRO CN(CC1CC[NH+](C)CC1)S(=O)(=O)c1cc(Cl)ccc1OC(F)F ZINC000420661676 563270565 /nfs/dbraw/zinc/27/05/65/563270565.db2.gz ICUJIZOYLMVUNS-UHFFFAOYSA-N 1 0 382.860 2.904 20 0 GFADRO CO[C@@H](CC(C)C)CS(=O)(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000420661932 563270576 /nfs/dbraw/zinc/27/05/76/563270576.db2.gz IPCNVMZKMHJBJL-SJORKVTESA-N 1 0 388.599 2.941 20 0 GFADRO COc1ccc(CN2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)cc1Br ZINC000371305739 563271352 /nfs/dbraw/zinc/27/13/52/563271352.db2.gz ZXQCVZORFYEGPP-YJBOKZPZSA-N 1 0 396.373 2.916 20 0 GFADRO O=C(Nc1c(F)cccc1Br)C(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000296036672 563272061 /nfs/dbraw/zinc/27/20/61/563272061.db2.gz AQCYKVKYCOHGHI-UHFFFAOYSA-N 1 0 398.276 2.660 20 0 GFADRO Cc1cc(NC(=O)N2CC[N@H+](C3CCOCC3)C[C@@H]2C)cnc1Br ZINC000278841785 563273118 /nfs/dbraw/zinc/27/31/18/563273118.db2.gz KZYDYPGCDODNHQ-ZDUSSCGKSA-N 1 0 397.317 2.870 20 0 GFADRO COc1cc(Br)ccc1C(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC000278851672 563273417 /nfs/dbraw/zinc/27/34/17/563273417.db2.gz MAPATUQQQNWUOW-CYBMUJFWSA-N 1 0 397.313 2.783 20 0 GFADRO C[C@H]1CN(CCOc2ccccc2Br)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000371366419 563275081 /nfs/dbraw/zinc/27/50/81/563275081.db2.gz LTMYJXFJUQFIOD-WMZOPIPTSA-N 1 0 396.373 2.786 20 0 GFADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)c1cc(F)ccc1Br ZINC000278891309 563275519 /nfs/dbraw/zinc/27/55/19/563275519.db2.gz QIUGCNQHAJUSCW-GFCCVEGCSA-N 1 0 385.277 2.914 20 0 GFADRO Cc1cc(Br)cc(S(=O)(=O)NC2CCC([NH+](C)C)CC2)c1 ZINC000420720385 563278706 /nfs/dbraw/zinc/27/87/06/563278706.db2.gz BMKDVVYPXSXPJZ-UHFFFAOYSA-N 1 0 375.332 2.909 20 0 GFADRO Cc1nc(C2CC[NH+](C[C@@H](O)COc3cccc(Br)c3)CC2)no1 ZINC000371489018 563279190 /nfs/dbraw/zinc/27/91/90/563279190.db2.gz YBYUUXAJFKUESP-OAHLLOKOSA-N 1 0 396.285 2.760 20 0 GFADRO O=S1(=O)CC[C@@]2(C1)C[C@H]([NH2+]Cc1cnc(-c3cccs3)s1)CCO2 ZINC000371509487 563279823 /nfs/dbraw/zinc/27/98/23/563279823.db2.gz PPPAEPGGLIBCNY-WBMJQRKESA-N 1 0 384.548 2.698 20 0 GFADRO Cc1ccc(Br)cc1S(=O)(=O)NC1CCC([NH+](C)C)CC1 ZINC000420746013 563282261 /nfs/dbraw/zinc/28/22/61/563282261.db2.gz MMHZNZCTCBSITQ-UHFFFAOYSA-N 1 0 375.332 2.909 20 0 GFADRO C[NH+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CCN(c3cccc(Br)c3)C2)C1 ZINC000279065731 563282429 /nfs/dbraw/zinc/28/24/29/563282429.db2.gz QLODWXCAYPSKLL-GOEBONIOSA-N 1 0 395.345 2.621 20 0 GFADRO CC[NH+]1CCN([C@H]2CCN(C(=O)c3c(F)ccc(C)c3Br)C2)CC1 ZINC000279090879 563283735 /nfs/dbraw/zinc/28/37/35/563283735.db2.gz SZFORTZKPDZHTE-AWEZNQCLSA-N 1 0 398.320 2.749 20 0 GFADRO O=C(NC1CC[NH+](Cc2ccsc2)CC1)[C@H]1CCCN1c1nccs1 ZINC000371663293 563284729 /nfs/dbraw/zinc/28/47/29/563284729.db2.gz HSBOMSXUKJNDAO-MRXNPFEDSA-N 1 0 376.551 2.954 20 0 GFADRO O=C(Nc1cc(Br)ccc1F)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000371660640 563284783 /nfs/dbraw/zinc/28/47/83/563284783.db2.gz RVMVSSXIBZUZPA-GJZGRUSLSA-N 1 0 386.265 2.651 20 0 GFADRO C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1)c1nc(C(F)(F)F)cs1 ZINC000279132669 563284967 /nfs/dbraw/zinc/28/49/67/563284967.db2.gz YKDJZBAWESMEBL-PWSUYJOCSA-N 1 0 377.432 2.983 20 0 GFADRO C[C@H](NC(=O)[C@H]1CCC[N@@H+]1C1CCOCC1)c1nc(C(F)(F)F)cs1 ZINC000279132661 563285033 /nfs/dbraw/zinc/28/50/33/563285033.db2.gz YKDJZBAWESMEBL-CMPLNLGQSA-N 1 0 377.432 2.983 20 0 GFADRO C[C@H](CNC(=O)N(C)C[C@H]1CCC[N@@H+]1C)Oc1cccc(Br)c1 ZINC000420787355 563285639 /nfs/dbraw/zinc/28/56/39/563285639.db2.gz CDQJHOYDBXQXRM-UKRRQHHQSA-N 1 0 384.318 2.952 20 0 GFADRO O=Cc1ccc(OCC(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)c(Br)c1 ZINC000371782373 563287525 /nfs/dbraw/zinc/28/75/25/563287525.db2.gz WNHLAEDAAUNKOJ-OAHLLOKOSA-N 1 0 395.297 2.727 20 0 GFADRO Cn1cc([C@H]2[C@@H](CNC(=O)c3occc3Br)CCC[N@@H+]2C)cn1 ZINC000371919065 563291192 /nfs/dbraw/zinc/29/11/92/563291192.db2.gz RQQPKWSRDNDXGS-BXUZGUMPSA-N 1 0 381.274 2.589 20 0 GFADRO COC[C@H](C)OC[C@H](O)C[N@@H+]1CCC[C@H]1Cc1ccccc1Br ZINC000420972345 563291747 /nfs/dbraw/zinc/29/17/47/563291747.db2.gz LVFXYDUAGQBQGI-BHYGNILZSA-N 1 0 386.330 2.868 20 0 GFADRO O[C@H](CN1CCOCC1)C[N@@H+]1CCCC[C@H]1Cc1cccc(Br)c1 ZINC000421032139 563294026 /nfs/dbraw/zinc/29/40/26/563294026.db2.gz DOSXNYCRMAGLTF-RBUKOAKNSA-N 1 0 397.357 2.539 20 0 GFADRO O=C(NC[C@@H](CO)Cc1ccccc1Br)C1CC[NH+](C2CC2)CC1 ZINC000279367397 563294393 /nfs/dbraw/zinc/29/43/93/563294393.db2.gz WFYHVJRHAZBQNQ-AWEZNQCLSA-N 1 0 395.341 2.591 20 0 GFADRO COC(=O)[C@H]1CC[C@@H]([NH2+]Cc2ccc(Br)cc2N2CCOCC2)C1 ZINC000279411564 563295692 /nfs/dbraw/zinc/29/56/92/563295692.db2.gz MFUYTTDGWXRQOH-XJKSGUPXSA-N 1 0 397.313 2.717 20 0 GFADRO C[C@H]1CN(CC(=O)Nc2ccc(Br)cc2F)CC[N@@H+](C2CC2)C1 ZINC000296696795 563296986 /nfs/dbraw/zinc/29/69/86/563296986.db2.gz KNGPIPCLAKJIQI-LBPRGKRZSA-N 1 0 384.293 2.943 20 0 GFADRO COc1cc(Br)c(NC(=O)[C@@H]2CCn3cncc3C2)cc1OC ZINC000372148510 563297329 /nfs/dbraw/zinc/29/73/29/563297329.db2.gz GTEBTISPFBPPFJ-SNVBAGLBSA-N 1 0 380.242 2.864 20 0 GFADRO O=C(Cc1csc2ccc(Br)cc12)NCC[NH+]1CCC(O)CC1 ZINC000296732040 563299072 /nfs/dbraw/zinc/29/90/72/563299072.db2.gz AAIZZHXNNIJSQI-UHFFFAOYSA-N 1 0 397.338 2.779 20 0 GFADRO C[C@H](CC[NH+](C)C)NC(=O)NCc1nc(-c2cccc(Br)c2)no1 ZINC000279591403 563302244 /nfs/dbraw/zinc/30/22/44/563302244.db2.gz QKSVDOVSWGZSMG-LLVKDONJSA-N 1 0 396.289 2.639 20 0 GFADRO CSc1nsc(NC(=O)N(C)C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)n1 ZINC000372395427 563304506 /nfs/dbraw/zinc/30/45/06/563304506.db2.gz YWBVPYKUOOFLIE-STQMWFEESA-N 1 0 378.527 2.812 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]C[C@@H]1CCSC1 ZINC000296846758 563304868 /nfs/dbraw/zinc/30/48/68/563304868.db2.gz OMQZUVAWNIVRDV-RYUDHWBXSA-N 1 0 387.343 2.805 20 0 GFADRO CC(C)(O)C[N@@H+]1CCCN(C(=O)C2(c3ccc(Br)cc3)CC2)CC1 ZINC000372491864 563308344 /nfs/dbraw/zinc/30/83/44/563308344.db2.gz CKVJVORVYSEVGI-UHFFFAOYSA-N 1 0 395.341 2.786 20 0 GFADRO COc1cc(C[NH2+]C[C@@H]2CC23CCSCC3)cc(Cl)c1OCC(N)=O ZINC000421356666 563308460 /nfs/dbraw/zinc/30/84/60/563308460.db2.gz XXAOCIDAWQIVKN-ZDUSSCGKSA-N 1 0 384.929 2.836 20 0 GFADRO O=S(=O)(CC1CC(F)(F)C1)NCc1c(Cl)cccc1-n1ccnc1 ZINC000296942928 563309691 /nfs/dbraw/zinc/30/96/91/563309691.db2.gz GUTBKMHDFNPQTE-UHFFFAOYSA-N 1 0 375.828 2.990 20 0 GFADRO O=C(c1[nH]nc2c1C[NH2+]CC2)N1CCC[C@@H]1c1ccccc1Br ZINC000372575902 563311053 /nfs/dbraw/zinc/31/10/53/563311053.db2.gz ZWLJLNJISNATKL-OAHLLOKOSA-N 1 0 375.270 2.795 20 0 GFADRO C[C@@H](C(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1)c1ccnn1C ZINC000421461901 563311929 /nfs/dbraw/zinc/31/19/29/563311929.db2.gz CBRMCKQHTALGCW-CQSZACIVSA-N 1 0 393.329 2.877 20 0 GFADRO C[C@H](O)C[N@H+](CC(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1)[C@@H](C)CO ZINC000372612896 563312723 /nfs/dbraw/zinc/31/27/23/563312723.db2.gz MLROOUBLPUJAPA-DCGLDWPTSA-N 1 0 389.323 2.721 20 0 GFADRO O=C(NCc1nc2cc(Cl)ccc2s1)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000297045095 563314242 /nfs/dbraw/zinc/31/42/42/563314242.db2.gz CHNLZNOTEJZYCZ-ZDUSSCGKSA-N 1 0 382.917 2.596 20 0 GFADRO C[C@H]([NH2+]C[C@@H]1CCC[C@]12NC(=O)N(C)C2=O)c1ccc(Br)cc1F ZINC000372708456 563314686 /nfs/dbraw/zinc/31/46/86/563314686.db2.gz ZBEIVIRPRQHMAZ-DINDLPBHSA-N 1 0 398.276 2.959 20 0 GFADRO Cc1nn(C)c(C)c1[C@H]1[C@H](C[NH2+]Cc2ccc(Br)o2)CC(=O)N1C ZINC000372773042 563317423 /nfs/dbraw/zinc/31/74/23/563317423.db2.gz PIVOEAHETKGZPX-YVEFUNNKSA-N 1 0 395.301 2.702 20 0 GFADRO Cc1nc2ccc(Br)cn2c1C(=O)N(C)[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000280000166 563318446 /nfs/dbraw/zinc/31/84/46/563318446.db2.gz DECYBHQZNYWKTI-FZMZJTMJSA-N 1 0 379.302 2.817 20 0 GFADRO CC[NH+](CC)Cc1cccc(CNC(=O)c2ccc(S(C)(=O)=O)s2)c1 ZINC000421752616 563320945 /nfs/dbraw/zinc/32/09/45/563320945.db2.gz UACZQFPEHZNTLK-UHFFFAOYSA-N 1 0 380.535 2.923 20 0 GFADRO Brc1cnc(C[NH2+][C@H]2CCc3n[nH]cc3C2)c(Br)c1 ZINC000372903218 563322129 /nfs/dbraw/zinc/32/21/29/563322129.db2.gz HBQTUIFCHYAEDS-JTQLQIEISA-N 1 0 386.091 2.977 20 0 GFADRO CN(CCc1ccc(Br)cc1)C(=O)Nc1ccnn1CC[NH+](C)C ZINC000297346398 563324145 /nfs/dbraw/zinc/32/41/45/563324145.db2.gz JWEZNZXCWGWQQY-UHFFFAOYSA-N 1 0 394.317 2.914 20 0 GFADRO [NH3+]C[C@@H]1CCCN(C(=O)[C@@H]2CCCN2C(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000297380208 563325456 /nfs/dbraw/zinc/32/54/56/563325456.db2.gz MXCMRASJXKWUON-LRDDRELGSA-N 1 0 384.307 2.795 20 0 GFADRO CCOc1c(Br)cc(C(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)cc1OC ZINC000373053382 563327000 /nfs/dbraw/zinc/32/70/00/563327000.db2.gz FRASGCBKYFXPIG-RISCZKNCSA-N 1 0 383.286 2.680 20 0 GFADRO CCOc1c(Br)cc(C(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)cc1OC ZINC000373053380 563327377 /nfs/dbraw/zinc/32/73/77/563327377.db2.gz FRASGCBKYFXPIG-FZMZJTMJSA-N 1 0 383.286 2.680 20 0 GFADRO C[C@@H]([NH2+]CCCc1cnn(C)c1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000280265655 563329539 /nfs/dbraw/zinc/32/95/39/563329539.db2.gz XMVABIWOHJYVAM-SNVBAGLBSA-N 1 0 391.324 2.658 20 0 GFADRO C[C@@H]1CCN(C(=O)NCc2c(Cl)cccc2-n2ccnc2)CC[S@]1=O ZINC000297591501 563330313 /nfs/dbraw/zinc/33/03/13/563330313.db2.gz MSTIZNWQJHORRC-YMXBGEKHSA-N 1 0 380.901 2.578 20 0 GFADRO CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccoc1Br ZINC000373194777 563331330 /nfs/dbraw/zinc/33/13/30/563331330.db2.gz WZECUYZFIMIJGL-GOSISDBHSA-N 1 0 393.281 2.751 20 0 GFADRO C[N@@H+]1CCC[C@@H](CCNC(=O)C(=O)NCCc2c(Cl)cccc2Cl)C1 ZINC000422273231 563335709 /nfs/dbraw/zinc/33/57/09/563335709.db2.gz SJHLHGUULFVHTJ-ZDUSSCGKSA-N 1 0 386.323 2.500 20 0 GFADRO C[C@@H](CNC(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+]1C)c1c(Cl)cccc1Cl ZINC000422295376 563336263 /nfs/dbraw/zinc/33/62/63/563336263.db2.gz NMGAHIFRDFHQAF-STQMWFEESA-N 1 0 386.323 2.766 20 0 GFADRO CC[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)N[C@H]1CC[N@H+](CC)C1 ZINC000422302987 563336860 /nfs/dbraw/zinc/33/68/60/563336860.db2.gz SHBTYILWNVCUEG-GJZGRUSLSA-N 1 0 386.323 2.641 20 0 GFADRO C[C@@H]1C[C@H](C)N(S(=O)(=O)c2ccc(F)c(Br)c2)C[C@H]1C[NH3+] ZINC000422555505 563342583 /nfs/dbraw/zinc/34/25/83/563342583.db2.gz QDOYCWHWJKHMIA-OUAUKWLOSA-N 1 0 379.295 2.582 20 0 GFADRO Cc1cccc(S(=O)(=O)N2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)c1Br ZINC000422558727 563343500 /nfs/dbraw/zinc/34/35/00/563343500.db2.gz ZOEDTSJPFFUCKV-AVGNSLFASA-N 1 0 375.332 2.751 20 0 GFADRO O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)N1CCCC[C@H]1Cc1cccc(Br)c1 ZINC000422603950 563344746 /nfs/dbraw/zinc/34/47/46/563344746.db2.gz ANOZCBBVWVICGE-MWDXBVQZSA-N 1 0 378.314 2.774 20 0 GFADRO C[N@@H+](CC(=O)N1CCc2sccc2[C@@H]1c1cccs1)CC1CC(O)C1 ZINC000373674426 563346287 /nfs/dbraw/zinc/34/62/87/563346287.db2.gz PUDXFTCIHUBHED-SVGDTCPJSA-N 1 0 376.547 2.986 20 0 GFADRO C[C@H](CNC(=O)C(=O)Nc1cc(Cl)c(N)c(Cl)c1)[NH+]1CCC(C)CC1 ZINC000298239557 563348206 /nfs/dbraw/zinc/34/82/06/563348206.db2.gz SAVFFCJGTWTYDH-LLVKDONJSA-N 1 0 387.311 2.751 20 0 GFADRO CCOC(=O)[C@H]1NCC[C@@H]1[NH2+]CCOc1c(Cl)cc(Cl)cc1Cl ZINC000422835367 563349891 /nfs/dbraw/zinc/34/98/91/563349891.db2.gz IMMLACVJIGKFLM-STQMWFEESA-N 1 0 381.687 2.909 20 0 GFADRO Cc1c(Br)cccc1NC(=O)C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000373767594 563350242 /nfs/dbraw/zinc/35/02/42/563350242.db2.gz PWCQNNAEQZULNX-UHFFFAOYSA-N 1 0 394.313 2.829 20 0 GFADRO CO[C@H](C[NH2+][C@H](C)c1ccc(Br)c(S(N)(=O)=O)c1)C(C)(C)C ZINC000280698957 563350284 /nfs/dbraw/zinc/35/02/84/563350284.db2.gz LFJXITRULKNDPN-QMTHXVAHSA-N 1 0 393.347 2.808 20 0 GFADRO C[C@H]([NH2+]C[C@@H](O)CC(C)(C)C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000280717000 563351038 /nfs/dbraw/zinc/35/10/38/563351038.db2.gz MXXHDFHLPZMGJR-JQWIXIFHSA-N 1 0 393.347 2.544 20 0 GFADRO C[NH+](C)[C@@H](CNc1ccc(S(=O)(=O)N2CCCC2)cn1)c1ccsc1 ZINC000298304131 563351176 /nfs/dbraw/zinc/35/11/76/563351176.db2.gz LRPFRRNNQMPUHI-INIZCTEOSA-N 1 0 380.539 2.642 20 0 GFADRO CC1=C(Br)CN(C(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)CC1 ZINC000373782876 563351342 /nfs/dbraw/zinc/35/13/42/563351342.db2.gz NKOBHGAPUWRNMO-UHFFFAOYSA-N 1 0 399.377 2.629 20 0 GFADRO CCN(CC)S(=O)(=O)c1ccc(CN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)s1 ZINC000422943259 563351845 /nfs/dbraw/zinc/35/18/45/563351845.db2.gz XTOSYHJCYVQJIP-IXDOHACOSA-N 1 0 385.599 2.789 20 0 GFADRO C[C@H]1CC[NH2+][C@@H](C(=O)N2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)C1 ZINC000422964403 563352322 /nfs/dbraw/zinc/35/23/22/563352322.db2.gz LMQQUNURBHLQJF-BLLLJJGKSA-N 1 0 384.307 2.666 20 0 GFADRO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000423000342 563352487 /nfs/dbraw/zinc/35/24/87/563352487.db2.gz GORPUUZVENNBID-GOSISDBHSA-N 1 0 384.307 2.554 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N(Cc2cccs2)Cc2cccs2)C1 ZINC000423018303 563353266 /nfs/dbraw/zinc/35/32/66/563353266.db2.gz QSFYRHRLLXEBPL-KGLIPLIRSA-N 1 0 377.535 2.534 20 0 GFADRO O=C(NCc1cc(F)cc(Br)c1)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000423062480 563354236 /nfs/dbraw/zinc/35/42/36/563354236.db2.gz UBXOOABSPLMFTQ-OAHLLOKOSA-N 1 0 381.249 2.639 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)[C@@H]1C[C@@H](C)CC[NH2+]1 ZINC000423122535 563356233 /nfs/dbraw/zinc/35/62/33/563356233.db2.gz JTFNZPSHLFGJIN-NHYWBVRUSA-N 1 0 382.302 2.590 20 0 GFADRO CCS(=O)(=O)c1ccc(CNC(=O)NCC[C@@H](C)[NH+]2CCCCC2)s1 ZINC000280836176 563356876 /nfs/dbraw/zinc/35/68/76/563356876.db2.gz JBXXJRKLRJAAGA-CQSZACIVSA-N 1 0 387.571 2.605 20 0 GFADRO COC(=O)C[C@H]([NH3+])C(=O)N[C@@H](C)c1sc(-c2ccc(Cl)cc2)nc1C ZINC000423170762 563357830 /nfs/dbraw/zinc/35/78/30/563357830.db2.gz YTWAJRPYGXGMBP-ZANVPECISA-N 1 0 381.885 2.840 20 0 GFADRO C[NH2+][C@@H]1CCCN(C(=O)C(=O)N(Cc2ccc(Cl)c(Cl)c2)C2CC2)C1 ZINC000423166108 563357930 /nfs/dbraw/zinc/35/79/30/563357930.db2.gz CGXCRVHZACRJFB-CYBMUJFWSA-N 1 0 384.307 2.695 20 0 GFADRO C[C@@H](N[C@@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl)[C@H]1CCC[NH2+]C1 ZINC000423211936 563358627 /nfs/dbraw/zinc/35/86/27/563358627.db2.gz HXEGAGUOJFIDIW-VWYCJHECSA-N 1 0 380.341 2.680 20 0 GFADRO C[C@H](NC(=O)[C@H]([NH3+])C1CCC1)c1nc(-c2ccc(Br)cc2)no1 ZINC000423296797 563359344 /nfs/dbraw/zinc/35/93/44/563359344.db2.gz ZWBMDWMYCVSDGJ-TVQRCGJNSA-N 1 0 379.258 2.804 20 0 GFADRO NC(=O)c1cnn2c1C[C@H](C[NH2+][C@H]1CCc3cc(Br)ccc31)CC2 ZINC000280913848 563361113 /nfs/dbraw/zinc/36/11/13/563361113.db2.gz GSNYEQALFMYIFE-BZNIZROVSA-N 1 0 389.297 2.584 20 0 GFADRO CCn1ccnc1[C@H](N[C@H](C)[C@@H](C)[NH3+])c1ccc(I)cc1 ZINC000423447968 563361184 /nfs/dbraw/zinc/36/11/84/563361184.db2.gz PKLCGFUJIICESP-LALPHHSUSA-N 1 0 398.292 2.922 20 0 GFADRO Cc1cc(N2CC[C@H](NC(=O)[C@@H](C(C)C)[C@H](C)[NH3+])C2=O)ccc1Br ZINC000423845720 563364286 /nfs/dbraw/zinc/36/42/86/563364286.db2.gz OMQGHZMNLXQRJH-RCBQFDQVSA-N 1 0 396.329 2.598 20 0 GFADRO CN(C(=O)c1cc(I)ccc1Cl)[C@H](C[NH3+])C1CC1 ZINC000423943442 563364883 /nfs/dbraw/zinc/36/48/83/563364883.db2.gz GHZFDLNUQCBDLK-GFCCVEGCSA-N 1 0 378.641 2.754 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C(=O)N(C)[C@H](C[NH3+])C1CC1 ZINC000423949348 563365071 /nfs/dbraw/zinc/36/50/71/563365071.db2.gz MNGNJAXUFZIVLB-MRXNPFEDSA-N 1 0 377.286 2.753 20 0 GFADRO [NH3+]C[C@H](NC(=O)CCNC(=O)Nc1ccc(Br)cc1)C1CCCC1 ZINC000423951111 563365081 /nfs/dbraw/zinc/36/50/81/563365081.db2.gz YZUCMNNYLKLEFC-HNNXBMFYSA-N 1 0 397.317 2.594 20 0 GFADRO C[C@H]1CN(C(=O)c2c(F)cccc2Br)CCN1C1CC[NH+](C)CC1 ZINC000374256289 563365851 /nfs/dbraw/zinc/36/58/51/563365851.db2.gz NPWSTKLBRFRZMK-ZDUSSCGKSA-N 1 0 398.320 2.829 20 0 GFADRO C[NH2+]CCCN(C)C(=O)[C@H](C)SCc1nc2sc(C)c(C)c2c(=O)[nH]1 ZINC000424038203 563367969 /nfs/dbraw/zinc/36/79/69/563367969.db2.gz XOEPJERKRIJYIU-LBPRGKRZSA-N 1 0 382.555 2.703 20 0 GFADRO O=c1cc(C[NH2+][C@]2(Cc3ccc(Cl)cc3)CCOC2)nc2sccn21 ZINC000374314289 563368340 /nfs/dbraw/zinc/36/83/40/563368340.db2.gz RVWVDLFWYLVEDM-SFHVURJKSA-N 1 0 375.881 2.901 20 0 GFADRO COc1cc(C(=O)N2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)cc(OC)c1Br ZINC000424051408 563368762 /nfs/dbraw/zinc/36/87/62/563368762.db2.gz JMRMGXAERYJREE-WZRBSPASSA-N 1 0 385.302 2.912 20 0 GFADRO C[C@@H]([NH2+]C[C@H]1CCn2ncc(C(N)=O)c2C1)c1ccc(F)cc1Br ZINC000281181540 563368959 /nfs/dbraw/zinc/36/89/59/563368959.db2.gz QQNSWCOAJRJBRI-MNOVXSKESA-N 1 0 395.276 2.797 20 0 GFADRO C[C@@H]1C[C@H](C)N(C(=O)c2cc(F)ccc2I)C[C@H]1C[NH3+] ZINC000424068226 563369211 /nfs/dbraw/zinc/36/92/11/563369211.db2.gz HRKGLLNVFQWBIH-OUAUKWLOSA-N 1 0 390.240 2.876 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000424088460 563370248 /nfs/dbraw/zinc/37/02/48/563370248.db2.gz JFYRSAOHKBNVSQ-CYBMUJFWSA-N 1 0 378.274 2.780 20 0 GFADRO CN1CC[C@@H](C[NH2+]Cc2ncc(Br)cc2Br)CC1=O ZINC000424185569 563372448 /nfs/dbraw/zinc/37/24/48/563372448.db2.gz GWRQZXIUKKDKGH-SECBINFHSA-N 1 0 391.107 2.565 20 0 GFADRO O=C(c1cnn(-c2ccc(Br)cc2)c1)N1CCC2(C1)CC[NH2+]CC2 ZINC000374515872 563374492 /nfs/dbraw/zinc/37/44/92/563374492.db2.gz XEJKGSISXUOLEC-UHFFFAOYSA-N 1 0 389.297 2.851 20 0 GFADRO C[C@H](CC(=O)N(C)C)[NH2+]Cc1cc(Cl)cc(I)c1 ZINC000424288538 563376117 /nfs/dbraw/zinc/37/61/17/563376117.db2.gz IZHQCOYEWNWWFA-SECBINFHSA-N 1 0 380.657 2.901 20 0 GFADRO C[N@@H+]1CC[C@H]2[C@H](CCCN2S(=O)(=O)c2cc3c(cc2Cl)CCC3=O)C1 ZINC000374578740 563376756 /nfs/dbraw/zinc/37/67/56/563376756.db2.gz JWDGIXRSPRZMPQ-CJNGLKHVSA-N 1 0 382.913 2.574 20 0 GFADRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)C2(c3cncc(Br)c3)CC2)C1 ZINC000281443371 563377864 /nfs/dbraw/zinc/37/78/64/563377864.db2.gz HHAGFIBYJDKYFW-CJNGLKHVSA-N 1 0 378.314 2.818 20 0 GFADRO COCC[N@@H+]1CCCN(C(=O)c2[nH]c3ccccc3c2Br)CC1 ZINC000299230698 563378469 /nfs/dbraw/zinc/37/84/69/563378469.db2.gz FXMWVYVMLVVCFL-UHFFFAOYSA-N 1 0 380.286 2.725 20 0 GFADRO C[NH+]1CCN(c2ncccc2CNC(=O)c2ccc(Br)s2)CC1 ZINC000299255095 563379283 /nfs/dbraw/zinc/37/92/83/563379283.db2.gz DZGDNKYYLJHQSE-UHFFFAOYSA-N 1 0 395.326 2.587 20 0 GFADRO Cc1cn2c(n1)CN(C(=O)c1cn(-c3ccc(Br)cc3)cn1)CC2 ZINC000374677487 563379324 /nfs/dbraw/zinc/37/93/24/563379324.db2.gz HTFCQKHBABZVTO-UHFFFAOYSA-N 1 0 386.253 2.796 20 0 GFADRO OC[C@@]1([NH2+]C[C@H](O)c2ccccc2Br)CCOc2ccccc21 ZINC000281707199 563384574 /nfs/dbraw/zinc/38/45/74/563384574.db2.gz OGKJETOZLPJHFU-WMZOPIPTSA-N 1 0 378.266 2.742 20 0 GFADRO CCCN(CCC[NH+](C)C)C(=O)C(=O)Nc1cc(Cl)c(N)c(Cl)c1 ZINC000299523418 563385866 /nfs/dbraw/zinc/38/58/66/563385866.db2.gz DAHOQHDYJCQUAE-UHFFFAOYSA-N 1 0 375.300 2.704 20 0 GFADRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)Cc1noc2ccc(Br)cc21 ZINC000424677737 563386329 /nfs/dbraw/zinc/38/63/29/563386329.db2.gz APDQCIAHJJUGBZ-IAQYHMDHSA-N 1 0 380.286 2.931 20 0 GFADRO Cc1nc(CN2CCC(C[NH2+][C@H]3CCCC[C@H]3S(C)(=O)=O)CC2)cs1 ZINC000375005435 563387849 /nfs/dbraw/zinc/38/78/49/563387849.db2.gz OLWJWOSTZTWRRI-ZWKOTPCHSA-N 1 0 385.599 2.609 20 0 GFADRO CN(CCC[NH+]1CCCC1)C(=O)Nc1ccncc1I ZINC000281996798 563393815 /nfs/dbraw/zinc/39/38/15/563393815.db2.gz PZPUFZZGVADWJI-UHFFFAOYSA-N 1 0 388.253 2.636 20 0 GFADRO C[NH+](C)CC1(NC(=O)Nc2ccnn2-c2ccc(Br)cn2)CCC1 ZINC000282017855 563394257 /nfs/dbraw/zinc/39/42/57/563394257.db2.gz RXLSBHGNMYFSHB-UHFFFAOYSA-N 1 0 393.289 2.636 20 0 GFADRO C[C@@H]1CCC[C@@H]1[NH2+]CCC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1Cl ZINC000282015705 563394377 /nfs/dbraw/zinc/39/43/77/563394377.db2.gz JXHIUVPDKWQDQM-DOMZBBRYSA-N 1 0 387.933 2.697 20 0 GFADRO CSc1nc2ncnc(NC3CC[NH+](C4CCN(C)CC4)CC3)c2s1 ZINC000301170443 563394947 /nfs/dbraw/zinc/39/49/47/563394947.db2.gz WYJBENGOUBRNIY-UHFFFAOYSA-N 1 0 378.571 2.779 20 0 GFADRO [NH3+][C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCN(c2cc(Cl)ccc2Cl)C1=O ZINC000375252416 563397519 /nfs/dbraw/zinc/39/75/19/563397519.db2.gz HWABLHNIZANWFQ-CRWXNKLISA-N 1 0 382.291 2.827 20 0 GFADRO [NH3+][C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1 ZINC000375253779 563397666 /nfs/dbraw/zinc/39/76/66/563397666.db2.gz VMGCMAKMVVWLIU-QZKOUSHUSA-N 1 0 382.291 2.827 20 0 GFADRO O=C(NC1CC1)C1CCN(Cc2cccc(I)c2)CC1 ZINC000375306212 563399058 /nfs/dbraw/zinc/39/90/58/563399058.db2.gz BNWGVORQROTJFK-UHFFFAOYSA-N 1 0 384.261 2.782 20 0 GFADRO CC[NH+](CC)CC(=O)N1C[C@H](C(=O)OC)[C@@H](c2ccc(Br)cc2)C1 ZINC000425007866 563400662 /nfs/dbraw/zinc/40/06/62/563400662.db2.gz GEKGONHRZHNGAC-CVEARBPZSA-N 1 0 397.313 2.506 20 0 GFADRO COCC[N@@H+]1CCCN(C(=O)c2c(C)c(C)sc2Br)CC1 ZINC000282220014 563402499 /nfs/dbraw/zinc/40/24/99/563402499.db2.gz CGLIJADEKAXHCF-UHFFFAOYSA-N 1 0 375.332 2.922 20 0 GFADRO CC1CC[NH+]([C@@H](CNC(=O)NCC2([S@](C)=O)CC2)c2cccs2)CC1 ZINC000282247202 563403625 /nfs/dbraw/zinc/40/36/25/563403625.db2.gz GKXSNUDPJXAUFG-MQNRADLISA-N 1 0 383.583 2.731 20 0 GFADRO CN(CC[NH+](C)C)c1ccc(Br)cc1NC(=O)[C@@H]1[C@H]2CCCO[C@H]21 ZINC000425098953 563404261 /nfs/dbraw/zinc/40/42/61/563404261.db2.gz NFBCFVSRALSNMP-KBRIMQKVSA-N 1 0 396.329 2.810 20 0 GFADRO CCn1c2ccc(S(N)(=O)=O)cc2nc1SCC[C@H]1CCCC[N@@H+]1C ZINC000301633472 563408834 /nfs/dbraw/zinc/40/88/34/563408834.db2.gz FKRPCMADUUGACB-CYBMUJFWSA-N 1 0 382.555 2.670 20 0 GFADRO C[NH+](C)CCN(Cc1ccccn1)S(=O)(=O)CCc1ccc(Cl)cc1 ZINC000425220853 563412579 /nfs/dbraw/zinc/41/25/79/563412579.db2.gz VQOJMOPRJARFJL-UHFFFAOYSA-N 1 0 381.929 2.671 20 0 GFADRO COc1cc2[nH+]ccc(NCCCCS(C)(=O)=O)c2cc1Br ZINC000425264863 563415821 /nfs/dbraw/zinc/41/58/21/563415821.db2.gz RKGCFVOBDVBYEP-UHFFFAOYSA-N 1 0 387.299 2.665 20 0 GFADRO COc1cc2[nH+]ccc(N[C@@H](CO)[C@@H]3CCCOC3)c2cc1Br ZINC000425269334 563416481 /nfs/dbraw/zinc/41/64/81/563416481.db2.gz QRKSPVQJROCPJP-BZNIZROVSA-N 1 0 381.270 2.627 20 0 GFADRO O=C(c1cc2ccc(Br)cc2[nH]1)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000375789729 563418671 /nfs/dbraw/zinc/41/86/71/563418671.db2.gz JNIXPGMSGNBZOH-DLBZAZTESA-N 1 0 392.297 2.602 20 0 GFADRO CC[C@@H]1CN(c2ccnc3cc(Br)cnc32)CC[N@@H+]1C[C@H](C)O ZINC000302080273 563419850 /nfs/dbraw/zinc/41/98/50/563419850.db2.gz BPOTZEQPXXKNDZ-GXTWGEPZSA-N 1 0 379.302 2.674 20 0 GFADRO OCCOC1(C[NH2+]Cc2ccc(Cl)c(Br)c2)CCOCC1 ZINC000282672216 563420857 /nfs/dbraw/zinc/42/08/57/563420857.db2.gz MWNAFQYUSRQEIL-UHFFFAOYSA-N 1 0 378.694 2.750 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000282673975 563420907 /nfs/dbraw/zinc/42/09/07/563420907.db2.gz KREPIVHDKNGYTB-UHFFFAOYSA-N 1 0 383.334 2.905 20 0 GFADRO CC(C)n1cc([C@@H](C)[NH2+]C[C@H]2CCN(S(=O)(=O)c3cccs3)C2)cn1 ZINC000375840834 563420911 /nfs/dbraw/zinc/42/09/11/563420911.db2.gz QLPBYUQHHMGHGR-HUUCEWRRSA-N 1 0 382.555 2.887 20 0 GFADRO CO[C@@H](C[N@@H+]1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1)C1CC1 ZINC000425424435 563421605 /nfs/dbraw/zinc/42/16/05/563421605.db2.gz NFTFTFLFUFRFRA-HIFRSBDPSA-N 1 0 382.302 2.920 20 0 GFADRO CS(=O)(=O)c1ccc(CNC(=O)C[NH2+][C@H](c2cccs2)C2CC2)cc1 ZINC000425456047 563423245 /nfs/dbraw/zinc/42/32/45/563423245.db2.gz ILARDZFUYLFLGO-SFHVURJKSA-N 1 0 378.519 2.509 20 0 GFADRO CC[C@H](NC(=O)[C@@H](C)C1C[NH2+]C1)c1noc(-c2cccc(Br)c2)n1 ZINC000375912103 563423445 /nfs/dbraw/zinc/42/34/45/563423445.db2.gz MZFUHVNAWJYUHX-HZMBPMFUSA-N 1 0 393.285 2.922 20 0 GFADRO C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@H]1CCC(=O)NC12CCC2 ZINC000282755881 563423459 /nfs/dbraw/zinc/42/34/59/563423459.db2.gz BEBLPZDXWYKNIR-WFASDCNBSA-N 1 0 394.313 2.957 20 0 GFADRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)NCCCCn2cc(Br)cn2)C1 ZINC000375985366 563425643 /nfs/dbraw/zinc/42/56/43/563425643.db2.gz DPYFYUHDEADSRS-HOCLYGCPSA-N 1 0 398.349 2.552 20 0 GFADRO O=C(N1CCC[C@@H]([NH+]2CCCC2)C1)C1(c2cncc(Br)c2)CC1 ZINC000375985670 563425711 /nfs/dbraw/zinc/42/57/11/563425711.db2.gz FNFGFIXHKWLZCS-MRXNPFEDSA-N 1 0 378.314 2.963 20 0 GFADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NCCCCn1cc(Br)cn1 ZINC000375989456 563426328 /nfs/dbraw/zinc/42/63/28/563426328.db2.gz RPYWTLSYRYBNNQ-CVEARBPZSA-N 1 0 398.349 2.694 20 0 GFADRO C[C@@H](NC(=O)C[NH2+][C@@H]1CCC(=O)NC12CCC2)c1ccc(Cl)c(Cl)c1 ZINC000282894334 563428926 /nfs/dbraw/zinc/42/89/26/563428926.db2.gz WJDOQSIMBDZVOS-IAQYHMDHSA-N 1 0 384.307 2.962 20 0 GFADRO CN(CC[NH+](C)C)c1ccc(Br)cc1NC(=O)[C@@]1(C)CCCO1 ZINC000425641154 563429141 /nfs/dbraw/zinc/42/91/41/563429141.db2.gz UVWFCDJLPBPWPB-QGZVFWFLSA-N 1 0 384.318 2.955 20 0 GFADRO Cn1ncc(Br)c1C[NH2+]C[C@@H](O)c1cccc(Br)c1 ZINC000282927459 563429662 /nfs/dbraw/zinc/42/96/62/563429662.db2.gz WHZJJAHGDHGMAU-CYBMUJFWSA-N 1 0 389.091 2.768 20 0 GFADRO C[C@H](CNC(=O)N1CCC[C@H]2C[N@H+](C)C[C@H]21)Oc1ccccc1Br ZINC000425689698 563432148 /nfs/dbraw/zinc/43/21/48/563432148.db2.gz HFTFHXCTIBSLLP-IJEWVQPXSA-N 1 0 396.329 2.952 20 0 GFADRO C[NH+](C)CCN1C[C@@H](C(=O)NC(C)(C)c2ccc(Cl)c(Cl)c2)CC1=O ZINC000303508511 563432658 /nfs/dbraw/zinc/43/26/58/563432658.db2.gz BSVOGWFBAJCRTM-LBPRGKRZSA-N 1 0 386.323 2.755 20 0 GFADRO C[NH+](C)CCN1C[C@H](C(=O)NC(C)(C)c2ccc(Cl)c(Cl)c2)CC1=O ZINC000303508507 563433077 /nfs/dbraw/zinc/43/30/77/563433077.db2.gz BSVOGWFBAJCRTM-GFCCVEGCSA-N 1 0 386.323 2.755 20 0 GFADRO CS(=O)(=O)c1cccc(Br)c1N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000376221181 563433711 /nfs/dbraw/zinc/43/37/11/563433711.db2.gz UAPBBAUERXBNLZ-KCQAQPDRSA-N 1 0 399.354 2.773 20 0 GFADRO C[NH+]1CCC2(CCCN2C(=O)NCCCCn2cc(Br)cn2)CC1 ZINC000376245768 563434609 /nfs/dbraw/zinc/43/46/09/563434609.db2.gz UPHVDJGJLBOVSC-UHFFFAOYSA-N 1 0 398.349 2.696 20 0 GFADRO CC1(C)[NH2+]CC[C@H]1NC(=O)c1cc(Cl)ccc1I ZINC000307897599 563434889 /nfs/dbraw/zinc/43/48/89/563434889.db2.gz NHXSPCKXIIIQCI-LLVKDONJSA-N 1 0 378.641 2.815 20 0 GFADRO C[N@@H+]1CC[C@H](CNS(=O)(=O)c2cnc(Cl)c(F)c2)[C@H]1c1cccs1 ZINC000376267942 563435094 /nfs/dbraw/zinc/43/50/94/563435094.db2.gz YAPMWEXCEBYONN-YGRLFVJLSA-N 1 0 389.905 2.907 20 0 GFADRO COCC[N@@H+]1CC[C@@H](NC(=O)Nc2cccc(Br)c2Cl)C1 ZINC000283120483 563436057 /nfs/dbraw/zinc/43/60/57/563436057.db2.gz MYSGOUIUPXZVHT-SNVBAGLBSA-N 1 0 376.682 2.945 20 0 GFADRO CNC(=O)NC(=O)[C@H](C)[NH+]1CCC(c2ccc(Br)c(C)c2)CC1 ZINC000425933210 563440897 /nfs/dbraw/zinc/44/08/97/563440897.db2.gz YEHAXXGZNCBVDP-LBPRGKRZSA-N 1 0 382.302 2.781 20 0 GFADRO C[C@@H]1CN(c2nc(C(Cl)(Cl)Cl)ns2)CCN1C1CC[NH+](C)CC1 ZINC000376451181 563442711 /nfs/dbraw/zinc/44/27/11/563442711.db2.gz UTQZNNKJTWXANQ-SNVBAGLBSA-N 1 0 398.791 2.970 20 0 GFADRO C[N@@H+]1CCC[C@H]2CN(S(=O)(=O)c3ccc(Br)c(F)c3)CC[C@@H]21 ZINC000317841678 563443090 /nfs/dbraw/zinc/44/30/90/563443090.db2.gz RJQGZLHPZZQCOG-NHYWBVRUSA-N 1 0 391.306 2.693 20 0 GFADRO Cc1cc(NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC3)C2)cc(C)c1Br ZINC000426192745 563446301 /nfs/dbraw/zinc/44/63/01/563446301.db2.gz CIGQVZVMEGYFGU-OAHLLOKOSA-N 1 0 394.313 2.700 20 0 GFADRO O=S(=O)(c1c(Cl)cccc1Br)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000376586857 563447585 /nfs/dbraw/zinc/44/75/85/563447585.db2.gz NXQJBSZUPLOWPM-JTQLQIEISA-N 1 0 379.707 2.571 20 0 GFADRO [NH3+]C[C@@H]1CCCC[C@@]12NC(=O)N(Cc1ccc(F)c(Br)c1)C2=O ZINC000321426186 563447938 /nfs/dbraw/zinc/44/79/38/563447938.db2.gz LYWUEQVHGVFMCT-MEDUHNTESA-N 1 0 384.249 2.528 20 0 GFADRO O=C(Nc1ncc(C(F)(F)F)s1)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000283608292 563449258 /nfs/dbraw/zinc/44/92/58/563449258.db2.gz NIGPGFUKZWPZLE-LLVKDONJSA-N 1 0 378.420 2.738 20 0 GFADRO CCC[C@H]([NH3+])c1cn(Cc2nnc(-c3ccccc3Br)o2)nn1 ZINC000323581247 563450459 /nfs/dbraw/zinc/45/04/59/563450459.db2.gz AGSUJYOJPZYBGN-LBPRGKRZSA-N 1 0 377.246 2.939 20 0 GFADRO CCC[C@H]([NH3+])c1cn(Cc2nc(-c3cccc(Br)c3)no2)nn1 ZINC000323448682 563450715 /nfs/dbraw/zinc/45/07/15/563450715.db2.gz UNHVANBMJVMNTD-LBPRGKRZSA-N 1 0 377.246 2.939 20 0 GFADRO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)Nc2ncc(C(F)(F)F)s2)CC1 ZINC000283680425 563451295 /nfs/dbraw/zinc/45/12/95/563451295.db2.gz UGYUYDQIAYFKED-JTQLQIEISA-N 1 0 380.436 2.718 20 0 GFADRO [NH3+]C[C@@H]1Cc2ccccc2N(S(=O)(=O)c2ccccc2Br)C1 ZINC000328543293 563460520 /nfs/dbraw/zinc/46/05/20/563460520.db2.gz KGAVSSQVPRPLEK-LBPRGKRZSA-N 1 0 381.295 2.775 20 0 GFADRO C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)C[C@H]2CC[NH2+]C2)CC1 ZINC000427272381 563464028 /nfs/dbraw/zinc/46/40/28/563464028.db2.gz DQARMHWNKRMTDR-HUUCEWRRSA-N 1 0 380.330 2.654 20 0 GFADRO O=C(C[C@@H]1CCC[NH2+]CC1)N[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000427282578 563464952 /nfs/dbraw/zinc/46/49/52/563464952.db2.gz USMVDCOPWNSMHG-GDBMZVCRSA-N 1 0 380.330 2.924 20 0 GFADRO CN(CC(=O)Nc1ccccc1Br)C(=O)C[C@H]1CCC[NH2+]CC1 ZINC000427334884 563465113 /nfs/dbraw/zinc/46/51/13/563465113.db2.gz CGDOZMQDVHNKQQ-ZDUSSCGKSA-N 1 0 382.302 2.626 20 0 GFADRO O=C(C[C@H]1CCC[NH2+]CC1)NCc1cc(Br)c2c(c1)OCCO2 ZINC000427369959 563465969 /nfs/dbraw/zinc/46/59/69/563465969.db2.gz MHFNYBGHPIYKSW-LBPRGKRZSA-N 1 0 383.286 2.616 20 0 GFADRO Cc1ccccc1C[C@@H]([NH2+]C[C@@H](O)CS(=O)(=O)c1cccs1)C1CC1 ZINC000284438766 563474937 /nfs/dbraw/zinc/47/49/37/563474937.db2.gz RTYKSQAZYXIBJK-QZTJIDSGSA-N 1 0 379.547 2.802 20 0 GFADRO Cc1sc2ncnc(SCCC(=O)N3C[C@@H]4C[N@H+](C)C[C@@H]4C3)c2c1C ZINC000427797533 563476123 /nfs/dbraw/zinc/47/61/23/563476123.db2.gz LLNYMKSTSKDXKU-OKILXGFUSA-N 1 0 376.551 2.810 20 0 GFADRO CC(C)(C)c1nc2ccc(S(=O)(=O)N3CC[C@@H]4[NH2+]CC[C@H]4C3)cc2s1 ZINC000427961957 563478951 /nfs/dbraw/zinc/47/89/51/563478951.db2.gz SERUZUJEODXMIJ-JSGCOSHPSA-N 1 0 379.551 2.966 20 0 GFADRO COc1cc(C)c(Br)cc1S(=O)(=O)N[C@@H](C)CCCC[NH3+] ZINC000427955057 563479087 /nfs/dbraw/zinc/47/90/87/563479087.db2.gz CSMPHJRPNQFGQY-NSHDSACASA-N 1 0 379.320 2.562 20 0 GFADRO C[C@H](CCCC[NH3+])NS(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC000427949765 563479050 /nfs/dbraw/zinc/47/90/50/563479050.db2.gz YRDRVXGYARUIMF-KGLIPLIRSA-N 1 0 390.933 2.551 20 0 GFADRO CC(C)(C)c1nc2ccc(S(=O)(=O)N3CC[C@H]4[NH2+]CC[C@@H]4C3)cc2s1 ZINC000427961961 563479055 /nfs/dbraw/zinc/47/90/55/563479055.db2.gz SERUZUJEODXMIJ-TZMCWYRMSA-N 1 0 379.551 2.966 20 0 GFADRO C[C@@H](Cn1cc(Br)cn1)[NH2+][C@H](c1nccn1C)C1CCOCC1 ZINC000284560566 563480268 /nfs/dbraw/zinc/48/02/68/563480268.db2.gz HCZSSDPPIRRLTC-WFASDCNBSA-N 1 0 382.306 2.525 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CN1CCOC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000284626012 563482792 /nfs/dbraw/zinc/48/27/92/563482792.db2.gz BGLGZLULGNZDRC-UAGQMJEPSA-N 1 0 397.313 2.558 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000377739622 563484595 /nfs/dbraw/zinc/48/45/95/563484595.db2.gz SJSNSRPRPYBPNZ-KBPBESRZSA-N 1 0 389.297 2.625 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)C1(c2cccc(Br)c2)CC(=O)C1 ZINC000377730905 563485249 /nfs/dbraw/zinc/48/52/49/563485249.db2.gz AHRAZZKWRDLLQK-HZPDHXFCSA-N 1 0 391.309 2.793 20 0 GFADRO CCS(=O)(=O)CCCCC[NH2+][C@H](C)c1ccc(S(=O)(=O)CC)cc1 ZINC000284719352 563487472 /nfs/dbraw/zinc/48/74/72/563487472.db2.gz JHHCIFHTDAHDRJ-OAHLLOKOSA-N 1 0 375.556 2.736 20 0 GFADRO NC(=O)c1ncc(Br)cc1N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000329931450 563491560 /nfs/dbraw/zinc/49/15/60/563491560.db2.gz BGUVLXFXSNQSTR-UHFFFAOYSA-N 1 0 397.317 2.809 20 0 GFADRO CSc1nc(=O)[nH]c(C)c1C(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1cccs1 ZINC000377941036 563491923 /nfs/dbraw/zinc/49/19/23/563491923.db2.gz AAGBNBKPWDOEGU-SMDDNHRTSA-N 1 0 378.523 2.697 20 0 GFADRO O=C(CCc1ccc(Br)cc1)NC[C@@H]1CCC[C@@H]1[NH+]1CCOCC1 ZINC000377999223 563493209 /nfs/dbraw/zinc/49/32/09/563493209.db2.gz IRFDKVXAUKLQKQ-WMZOPIPTSA-N 1 0 395.341 2.999 20 0 GFADRO Cc1ccc(Br)c(S(=O)(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)c1 ZINC000378064271 563495259 /nfs/dbraw/zinc/49/52/59/563495259.db2.gz YFZXESHBFHFFGS-CQSZACIVSA-N 1 0 387.343 2.768 20 0 GFADRO Cc1[nH]c(=O)c(Br)cc1C(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000284992655 563497971 /nfs/dbraw/zinc/49/79/71/563497971.db2.gz ANBVUZGZXZHGJA-ZDUSSCGKSA-N 1 0 384.299 2.952 20 0 GFADRO [NH3+]C1CCN(C(=O)c2cccn2-c2ccc(I)cc2)CC1 ZINC000428753790 563501340 /nfs/dbraw/zinc/50/13/40/563501340.db2.gz RTAHCONHFFWDCZ-UHFFFAOYSA-N 1 0 395.244 2.645 20 0 GFADRO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cnnn1-c1c(Cl)cccc1Cl ZINC000330350335 563502155 /nfs/dbraw/zinc/50/21/55/563502155.db2.gz KYGNVYWMTLRYAP-NEPJUHHUSA-N 1 0 380.279 2.883 20 0 GFADRO C[C@H]1CN(C(=O)c2ccc(Br)cc2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000378320642 563503136 /nfs/dbraw/zinc/50/31/36/563503136.db2.gz VMBHKKYYRZNLDV-WMLDXEAASA-N 1 0 380.330 2.547 20 0 GFADRO COC(=O)[C@]1(C)C[N@H+](CC(=O)Nc2ccc(Br)cc2C)C[C@H]1C ZINC000330386185 563503285 /nfs/dbraw/zinc/50/32/85/563503285.db2.gz UUNQVFAQRAXHOU-SJKOYZFVSA-N 1 0 383.286 2.827 20 0 GFADRO COc1ccc(Br)cc1C(=O)CCC(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000428977449 563505754 /nfs/dbraw/zinc/50/57/54/563505754.db2.gz NDEWYKRCTUUTQA-STQMWFEESA-N 1 0 397.313 2.925 20 0 GFADRO C[C@H]1C[C@H]1[N@@H+]1CCN(C[C@H](O)COc2ccc(Br)cc2)C[C@@H](C)C1 ZINC000429020955 563507651 /nfs/dbraw/zinc/50/76/51/563507651.db2.gz OKGOBCATRVZFEO-WXSAJPJJSA-N 1 0 397.357 2.851 20 0 GFADRO C[C@@H](CS(C)(=O)=O)[NH2+]C1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000378488056 563509371 /nfs/dbraw/zinc/50/93/71/563509371.db2.gz GZFNHXJQGYPATN-ZDUSSCGKSA-N 1 0 378.460 2.693 20 0 GFADRO COCC[NH+]1CCC(NC(=O)c2cc(Br)c(C)cc2OC)CC1 ZINC000285231020 563509854 /nfs/dbraw/zinc/50/98/54/563509854.db2.gz YSHPXDQNPVBARX-UHFFFAOYSA-N 1 0 385.302 2.607 20 0 GFADRO Cc1cc(COc2ccc(C(=O)NC[C@@H]3CCC[NH2+]3)cc2Br)no1 ZINC000429099786 563510032 /nfs/dbraw/zinc/51/00/32/563510032.db2.gz SCCGKNFNDHKWFA-ZDUSSCGKSA-N 1 0 394.269 2.806 20 0 GFADRO Cc1cc(Br)cn2cc(CC[NH2+][C@H](C)C(C)(C)n3cncn3)nc12 ZINC000285243007 563510506 /nfs/dbraw/zinc/51/05/06/563510506.db2.gz PRXHYNMVPBKZBW-CYBMUJFWSA-N 1 0 391.317 2.953 20 0 GFADRO CCc1nc(C(=O)N2CC[C@H]([NH3+])[C@@H](C)C2)nn1-c1c(Cl)cccc1Cl ZINC000429156642 563510808 /nfs/dbraw/zinc/51/08/08/563510808.db2.gz LSALOCGECCCUCJ-GWCFXTLKSA-N 1 0 382.295 2.946 20 0 GFADRO CCOc1cc(Br)c(CC(=O)N2CC[C@H]([NH3+])[C@H](C)C2)cc1OCC ZINC000429156452 563511097 /nfs/dbraw/zinc/51/10/97/563511097.db2.gz FHOOUWWBJWLLPE-DOMZBBRYSA-N 1 0 399.329 2.985 20 0 GFADRO CC(=O)N[C@H](CC(=O)N1C[C@H](C)[N@@H+](C)C[C@@H]1C)c1ccc(Br)cc1 ZINC000330601685 563512598 /nfs/dbraw/zinc/51/25/98/563512598.db2.gz GQPGSJIQWHCGCV-GDZNZVCISA-N 1 0 396.329 2.567 20 0 GFADRO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)CN1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000330603431 563513517 /nfs/dbraw/zinc/51/35/17/563513517.db2.gz XJMKCPMSPNVXAQ-WDEREUQCSA-N 1 0 388.295 2.743 20 0 GFADRO CCCNC(=O)NC(=O)C[NH2+][C@H]1c2cc(Br)ccc2CC1(C)C ZINC000429296644 563513856 /nfs/dbraw/zinc/51/38/56/563513856.db2.gz SYTCJMLKRMWODC-HNNXBMFYSA-N 1 0 382.302 2.898 20 0 GFADRO CCNC(=O)NC(=O)[C@H](C)[NH2+][C@H]1c2cccc(Br)c2CC1(C)C ZINC000429402236 563516405 /nfs/dbraw/zinc/51/64/05/563516405.db2.gz CFHBYRATLXBILY-HZMBPMFUSA-N 1 0 382.302 2.896 20 0 GFADRO CC(C)NS(=O)(=O)NCC[NH2+][C@@H]1CCCOc2c(Cl)c(Cl)ccc21 ZINC000429436194 563517100 /nfs/dbraw/zinc/51/71/00/563517100.db2.gz VPJLGZTUEYMDFP-CYBMUJFWSA-N 1 0 396.340 2.629 20 0 GFADRO CC[C@@](C)([NH3+])c1cn(Cc2nnc(-c3ccccc3Br)o2)nn1 ZINC000384124701 563517238 /nfs/dbraw/zinc/51/72/38/563517238.db2.gz ATEDLWXBRAEYFD-OAHLLOKOSA-N 1 0 377.246 2.723 20 0 GFADRO C[C@@H](CNC(=O)c1ccc(I)c(Cl)c1)C[NH+](C)C ZINC000385303903 563517931 /nfs/dbraw/zinc/51/79/31/563517931.db2.gz WPTUTVIYOWUCLI-VIFPVBQESA-N 1 0 380.657 2.872 20 0 GFADRO C[NH+](C)[C@H]1CCCN(C[C@H](O)COc2cc(F)cc(Br)c2)CC1 ZINC000429537628 563518307 /nfs/dbraw/zinc/51/83/07/563518307.db2.gz IAUPZEQPAZMJCG-HOTGVXAUSA-N 1 0 389.309 2.744 20 0 GFADRO CS(=O)(=O)N[C@@H]1CCCC[C@@H]1[NH2+]CCOc1ccc(Cl)cc1Cl ZINC000429722809 563521246 /nfs/dbraw/zinc/52/12/46/563521246.db2.gz TVWGGRANIJKYNF-UONOGXRCSA-N 1 0 381.325 2.822 20 0 GFADRO CC1(C)C[NH2+]CC[C@H]1NC(=O)c1ccc(F)cc1I ZINC000389685836 563521989 /nfs/dbraw/zinc/52/19/89/563521989.db2.gz IKOBJGODHSOSGA-GFCCVEGCSA-N 1 0 376.213 2.548 20 0 GFADRO C[C@H]1C[C@H](NS(=O)(=O)c2cc(Cl)ccc2Br)CC[N@@H+]1C ZINC000429814026 563523655 /nfs/dbraw/zinc/52/36/55/563523655.db2.gz KUHPCGNVWBXCHQ-GXSJLCMTSA-N 1 0 381.723 2.864 20 0 GFADRO N#Cc1ccccc1OC[C@@H](O)C[NH2+]CCc1ccc(Br)cc1 ZINC000391796883 563525364 /nfs/dbraw/zinc/52/53/64/563525364.db2.gz DCJQYWOXISMYMR-KRWDZBQOSA-N 1 0 375.266 2.893 20 0 GFADRO O[C@H](COCc1ccccc1Cl)C[N@@H+]1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000285551847 563526507 /nfs/dbraw/zinc/52/65/07/563526507.db2.gz MIMQKUBLXVKDKU-HOCLYGCPSA-N 1 0 381.822 2.997 20 0 GFADRO Cc1cc(NC(=O)CC[NH2+][C@@](C)(CO)c2ccc(Br)cc2)no1 ZINC000285549319 563526654 /nfs/dbraw/zinc/52/66/54/563526654.db2.gz ULQBNGBFKZDHHK-INIZCTEOSA-N 1 0 382.258 2.571 20 0 GFADRO O=C(NC[C@@H]1CCCN(C(=O)c2cc3sccc3s2)C1)[C@H]1CCC[NH2+]1 ZINC000392785763 563527038 /nfs/dbraw/zinc/52/70/38/563527038.db2.gz LCPROVALRMWJHN-QWHCGFSZSA-N 1 0 377.535 2.683 20 0 GFADRO OC1(CC[NH2+]Cc2nc(-c3cccc(Br)c3)c[nH]2)CCOCC1 ZINC000285569985 563527209 /nfs/dbraw/zinc/52/72/09/563527209.db2.gz SLADTNTZRFUEES-UHFFFAOYSA-N 1 0 380.286 2.860 20 0 GFADRO [NH3+]C[C@H]1Cc2ccccc2N(S(=O)(=O)c2sccc2Br)C1 ZINC000392794708 563527819 /nfs/dbraw/zinc/52/78/19/563527819.db2.gz KEKOQSSYDLLPDW-SNVBAGLBSA-N 1 0 387.324 2.837 20 0 GFADRO CC[C@@H]1C[C@H](C)C[N@@H+]1CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000330960759 563529606 /nfs/dbraw/zinc/52/96/06/563529606.db2.gz XRUDRQWEDSZVIT-GXTWGEPZSA-N 1 0 387.933 2.649 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CC[NH2+][C@H]1CCC(=O)NC1(C)C ZINC000430086211 563532474 /nfs/dbraw/zinc/53/24/74/563532474.db2.gz QITZYYCWUAJCOR-AWEZNQCLSA-N 1 0 382.302 2.733 20 0 GFADRO C[C@@H]1CSc2ccc(Br)cc2[C@@H]1NC(=O)C[C@H]1C[NH2+]CCO1 ZINC000430112449 563533343 /nfs/dbraw/zinc/53/33/43/563533343.db2.gz XRNORGDMXVNKEN-RSAASHCRSA-N 1 0 385.327 2.727 20 0 GFADRO C[N@@H+]1CC[C@@]2(CCN(Cc3cn(-c4ccccc4Br)nn3)C2)C1 ZINC000430127564 563534400 /nfs/dbraw/zinc/53/44/00/563534400.db2.gz RUNBCGBNBPYQIJ-QGZVFWFLSA-N 1 0 376.302 2.557 20 0 GFADRO CCC(C)(C)[NH2+][C@@H](C)C(=O)NC[C@@H](CO)Cc1cccc(Br)c1 ZINC000430153401 563536438 /nfs/dbraw/zinc/53/64/38/563536438.db2.gz VLBXTQHMEKJZGQ-ZFWWWQNUSA-N 1 0 385.346 2.883 20 0 GFADRO CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H](CO)Cc1cccc(Br)c1 ZINC000430156078 563536618 /nfs/dbraw/zinc/53/66/18/563536618.db2.gz LVSSCHIQHATYDJ-DOTOQJQBSA-N 1 0 383.330 2.591 20 0 GFADRO O=C(Cn1cc(C2CC[NH2+]CC2)nn1)Nc1ccc(Br)cc1Cl ZINC000404627402 563537048 /nfs/dbraw/zinc/53/70/48/563537048.db2.gz SITBXHOCYSZCEF-UHFFFAOYSA-N 1 0 398.692 2.800 20 0 GFADRO COCC[C@]1(C(=O)NCc2ccc(Br)cc2Cl)CC[NH2+]C1 ZINC000430284331 563540206 /nfs/dbraw/zinc/54/02/06/563540206.db2.gz LVDXDABVOUSLGV-OAHLLOKOSA-N 1 0 375.694 2.735 20 0 GFADRO CC(=O)c1cc(Br)ccc1OCC(=O)N[C@@H](C)C1=CC[N@H+](C)CC1 ZINC000285871592 563540346 /nfs/dbraw/zinc/54/03/46/563540346.db2.gz RRLIDPUJSUXTKL-LBPRGKRZSA-N 1 0 395.297 2.797 20 0 GFADRO CS(=O)(=O)N[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc(F)ccc1Br ZINC000331207395 563540632 /nfs/dbraw/zinc/54/06/32/563540632.db2.gz YUHMVIJKZICYIF-UONOGXRCSA-N 1 0 379.295 2.538 20 0 GFADRO C[NH+](C)CC1(C(=O)NCc2ccc(S(C)(=O)=O)c(Cl)c2)CCCCC1 ZINC000331223662 563541561 /nfs/dbraw/zinc/54/15/61/563541561.db2.gz ZHWUUCMBEBSBBN-UHFFFAOYSA-N 1 0 386.945 2.872 20 0 GFADRO CCCCOCCN(C(=O)C[C@H]1C[NH2+]CCO1)c1ccc(Br)cc1 ZINC000430386748 563543259 /nfs/dbraw/zinc/54/32/59/563543259.db2.gz SCXRJICZQVPSQG-KRWDZBQOSA-N 1 0 399.329 2.977 20 0 GFADRO COCC[C@]1(C(=O)NCC2(c3cccc(Br)c3)CC2)CC[NH2+]C1 ZINC000430534381 563545400 /nfs/dbraw/zinc/54/54/00/563545400.db2.gz ZVLGAFJTNBLMDO-GOSISDBHSA-N 1 0 381.314 2.613 20 0 GFADRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1CCC(=O)Nc1ccccc1Br ZINC000331355763 563547214 /nfs/dbraw/zinc/54/72/14/563547214.db2.gz RBIQRRRLKBNROW-AWEZNQCLSA-N 1 0 398.345 2.555 20 0 GFADRO C[C@@H]([NH2+]CCOC1CCCC1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430695456 563547703 /nfs/dbraw/zinc/54/77/03/563547703.db2.gz HJEVDBCHXMRGPN-LLVKDONJSA-N 1 0 391.331 2.706 20 0 GFADRO C[C@H]([NH2+]CCOC1CCCC1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430695457 563547663 /nfs/dbraw/zinc/54/76/63/563547663.db2.gz HJEVDBCHXMRGPN-NSHDSACASA-N 1 0 391.331 2.706 20 0 GFADRO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+][C@H](C)c2cc(C(=O)OC)cs2)cc1 ZINC000286073731 563547849 /nfs/dbraw/zinc/54/78/49/563547849.db2.gz MAAPHCAWUJBTSH-VXGBXAGGSA-N 1 0 382.507 2.855 20 0 GFADRO C[C@@H]([NH2+][C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1)[C@@H]1CCCOC1 ZINC000430738558 563548286 /nfs/dbraw/zinc/54/82/86/563548286.db2.gz FIZBRVNEQAWTPB-DMDPSCGWSA-N 1 0 391.331 2.562 20 0 GFADRO COc1ccc(S(=O)(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)c(Cl)c1Cl ZINC000408235076 563548568 /nfs/dbraw/zinc/54/85/68/563548568.db2.gz BOHACIAIJGYTDS-WDEREUQCSA-N 1 0 379.309 2.907 20 0 GFADRO Cc1cccc(C[C@H](CO)[NH2+]Cc2ncc(I)s2)c1 ZINC000286128303 563549872 /nfs/dbraw/zinc/54/98/72/563549872.db2.gz VAFYHNCYWKSZKK-GFCCVEGCSA-N 1 0 388.274 2.749 20 0 GFADRO Cc1cc(Br)cc(C)c1S(=O)(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000431030901 563552187 /nfs/dbraw/zinc/55/21/87/563552187.db2.gz SRBMIPWNLFHZRY-UHFFFAOYSA-N 1 0 387.343 2.830 20 0 GFADRO CC[NH+](CC)CCS(=O)(=O)N1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000331542772 563553064 /nfs/dbraw/zinc/55/30/64/563553064.db2.gz LNZLDHRHULDVDZ-HNNXBMFYSA-N 1 0 385.599 2.873 20 0 GFADRO COC1CC[NH+](C(C)(C)CNS(=O)(=O)Cc2cc(Cl)ccc2F)CC1 ZINC000431290429 563558375 /nfs/dbraw/zinc/55/83/75/563558375.db2.gz LKRXQOPSTCHWPK-UHFFFAOYSA-N 1 0 392.924 2.788 20 0 GFADRO Cc1cc(C)c(S(=O)(=O)N2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)s1 ZINC000431533437 563562300 /nfs/dbraw/zinc/56/23/00/563562300.db2.gz ROKWUZGEBAZOOQ-IYBDPMFKSA-N 1 0 385.599 2.544 20 0 GFADRO C[NH+](C)[C@H]1CCN(C(=O)c2cnc3c(Cl)cc(Br)cc3c2O)C1 ZINC000331913418 563566870 /nfs/dbraw/zinc/56/68/70/563566870.db2.gz BGKWRFDGDJKYOH-JTQLQIEISA-N 1 0 398.688 2.720 20 0 GFADRO C[C@@H](CC[NH+]1CCN(C)CC1)Nc1ccnc2c(Br)ccc(F)c12 ZINC000409726792 563570104 /nfs/dbraw/zinc/57/01/04/563570104.db2.gz LNXNPJWXABGESG-ZDUSSCGKSA-N 1 0 395.320 2.996 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1c(C)cc(C)cc1Br ZINC000431968757 563572050 /nfs/dbraw/zinc/57/20/50/563572050.db2.gz JWWFFEQHUAOZLE-CYBMUJFWSA-N 1 0 382.302 2.605 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@@H]32)cc1Br ZINC000332049610 563573782 /nfs/dbraw/zinc/57/37/82/563573782.db2.gz MONWTQLUKWUVNJ-CJNGLKHVSA-N 1 0 394.313 2.557 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)N[C@@H]2COc3cc(F)c(Br)cc32)CC[N@@H+]1C ZINC000332077441 563575174 /nfs/dbraw/zinc/57/51/74/563575174.db2.gz XOTLYYJHTPIAOB-ISTVAULSSA-N 1 0 386.265 2.804 20 0 GFADRO C[C@@H]1[NH2+]CCC[C@H]1C(=O)N1CCN(C(=O)c2c(Cl)cccc2Cl)CC1 ZINC000332106786 563576925 /nfs/dbraw/zinc/57/69/25/563576925.db2.gz HERJBGSIEIPCGQ-QWHCGFSZSA-N 1 0 384.307 2.666 20 0 GFADRO O=C(NCC[N@H+]1CC=CCC1)Nc1ccc(F)cc1I ZINC000432233789 563577146 /nfs/dbraw/zinc/57/71/46/563577146.db2.gz VSRZREPOLCITKR-UHFFFAOYSA-N 1 0 389.212 2.814 20 0 GFADRO C[C@H]1NC(=O)N(CC[NH+]2CCC(c3ccc(Br)cc3)CC2)C1=O ZINC000332120540 563577572 /nfs/dbraw/zinc/57/75/72/563577572.db2.gz IGWPAYQIPNEQBG-GFCCVEGCSA-N 1 0 380.286 2.569 20 0 GFADRO CSc1cc2c(cc1NC(=O)N1C[C@@H]([NH+](C)C)[C@@H](SC)C1)OCCO2 ZINC000332141543 563579030 /nfs/dbraw/zinc/57/90/30/563579030.db2.gz JJIDSSJXOSXLCH-WBMJQRKESA-N 1 0 383.539 2.689 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)N1CCC[C@@](O)(C(F)(F)F)CC1)c1ccsc1 ZINC000286924322 563580280 /nfs/dbraw/zinc/58/02/80/563580280.db2.gz ADIQCQBDIIWFOB-HIFRSBDPSA-N 1 0 379.448 2.840 20 0 GFADRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1cc(Br)c2c(c1)OCCO2 ZINC000287092430 563586849 /nfs/dbraw/zinc/58/68/49/563586849.db2.gz KZSHHEYBCXKSLV-SWLSCSKDSA-N 1 0 395.297 2.919 20 0 GFADRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1cc(Br)c2c(c1)OCCO2 ZINC000287092432 563587113 /nfs/dbraw/zinc/58/71/13/563587113.db2.gz KZSHHEYBCXKSLV-WFASDCNBSA-N 1 0 395.297 2.919 20 0 GFADRO COC(=O)c1cc(Br)cc(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)c1 ZINC000332253095 563587611 /nfs/dbraw/zinc/58/76/11/563587611.db2.gz BZPKVRRASQJUBJ-GJZGRUSLSA-N 1 0 381.270 2.592 20 0 GFADRO COC(=O)[C@H](c1ccsc1)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000410342656 563587670 /nfs/dbraw/zinc/58/76/70/563587670.db2.gz NFOSNXQXXWEORQ-AWEZNQCLSA-N 1 0 380.432 2.549 20 0 GFADRO COC(=O)c1cccc(NC(=O)NCC[N@H+]2CC=CCC2)c1Br ZINC000432619574 563588272 /nfs/dbraw/zinc/58/82/72/563588272.db2.gz RFUXWIUTYBVQRJ-UHFFFAOYSA-N 1 0 382.258 2.619 20 0 GFADRO C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@@H]2CCc3cc(Br)ccc32)[C@H](C)C1 ZINC000332265811 563588718 /nfs/dbraw/zinc/58/87/18/563588718.db2.gz OOVJDCTYMYXSIQ-IIYDPXPESA-N 1 0 396.329 2.533 20 0 GFADRO O=C(Nc1cc(F)c(F)cc1I)N[C@H]1CCCC[NH2+]C1 ZINC000332262544 563589100 /nfs/dbraw/zinc/58/91/00/563589100.db2.gz AYJLCTRAEBNQHE-QMMMGPOBSA-N 1 0 395.191 2.833 20 0 GFADRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)c2nc(C)sc2Br)C1 ZINC000410539284 563592768 /nfs/dbraw/zinc/59/27/68/563592768.db2.gz JGRWLGULNYTJFT-LBPRGKRZSA-N 1 0 390.347 2.787 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)NCc3cc(F)c(F)cc3Br)C[C@@H]21 ZINC000332345825 563594266 /nfs/dbraw/zinc/59/42/66/563594266.db2.gz TUATYRGINILSHT-BPYAMOTFSA-N 1 0 388.256 2.996 20 0 GFADRO COC(=O)c1cccc(Br)c1CN1CCC([N@H+](C)CCCO)CC1 ZINC000432834343 563594903 /nfs/dbraw/zinc/59/49/03/563594903.db2.gz JBMKWZJXNGNTJR-UHFFFAOYSA-N 1 0 399.329 2.514 20 0 GFADRO C[NH+](C)CCc1ccccc1NC(=O)NCCn1cc(Br)cn1 ZINC000287335474 563597310 /nfs/dbraw/zinc/59/73/10/563597310.db2.gz OZLCTEYLHAFXMA-UHFFFAOYSA-N 1 0 380.290 2.571 20 0 GFADRO C[C@H](c1cccc(Br)c1)[NH+]1CCC([C@@]2(C)NC(=O)NC2=O)CC1 ZINC000332477304 563600998 /nfs/dbraw/zinc/60/09/98/563600998.db2.gz VJOIHXZDLGUMNR-PIGZYNQJSA-N 1 0 380.286 2.820 20 0 GFADRO COC[C@H]([NH2+][C@H](C)CC(=O)Nc1ccc(Br)cc1)[C@H]1CCCO1 ZINC000433015284 563601312 /nfs/dbraw/zinc/60/13/12/563601312.db2.gz WBWPKGKGUUQSJB-UHOFOFEASA-N 1 0 385.302 2.950 20 0 GFADRO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C(=O)N1CC[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000410975423 563601501 /nfs/dbraw/zinc/60/15/01/563601501.db2.gz JNXHRLYUCUNFJU-XJKSGUPXSA-N 1 0 384.307 2.504 20 0 GFADRO CC1(C)CC([NH2+]C[C@@H](O)COc2ccc(I)cc2)C1 ZINC000433123044 563604100 /nfs/dbraw/zinc/60/41/00/563604100.db2.gz XVGBQWAFRHIOGU-CYBMUJFWSA-N 1 0 375.250 2.809 20 0 GFADRO CC(C)[C@H](C[NH3+])C(=O)N[C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000433128769 563604168 /nfs/dbraw/zinc/60/41/68/563604168.db2.gz BOPBSSPETLDGTM-RYUDHWBXSA-N 1 0 378.826 2.680 20 0 GFADRO COC(=O)c1cc(NC(=O)N[C@@H](C)CC[NH+](C)C)cc(Br)c1F ZINC000433124185 563604350 /nfs/dbraw/zinc/60/43/50/563604350.db2.gz AEOOROLUHJWZIY-VIFPVBQESA-N 1 0 390.253 2.837 20 0 GFADRO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000332557364 563604414 /nfs/dbraw/zinc/60/44/14/563604414.db2.gz SKWGENIPKGZZOF-DOMZBBRYSA-N 1 0 386.327 2.738 20 0 GFADRO Cc1cc(Cl)ccc1CN1CC[NH+](C[C@H](O)COCC(F)(F)F)CC1 ZINC000433185772 563606015 /nfs/dbraw/zinc/60/60/15/563606015.db2.gz FZFLZHKKQHBZIR-INIZCTEOSA-N 1 0 380.838 2.706 20 0 GFADRO C[C@H]([NH2+]C[C@H]1CCOC[C@@H]1C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000287551494 563607120 /nfs/dbraw/zinc/60/71/20/563607120.db2.gz PTHGVJFDZSWCLZ-GARJFASQSA-N 1 0 381.325 2.964 20 0 GFADRO CC[NH+](CC)[C@H]1CCN([C@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000433240066 563607494 /nfs/dbraw/zinc/60/74/94/563607494.db2.gz JZWYBKVFCSAMOL-IRXDYDNUSA-N 1 0 380.330 2.971 20 0 GFADRO CSc1ccc(OC[C@@H](O)C[N@@H+]2CCCN(c3nccs3)CC2)cc1 ZINC000411180121 563608645 /nfs/dbraw/zinc/60/86/45/563608645.db2.gz BJDNCWQWBVJYOM-HNNXBMFYSA-N 1 0 379.551 2.817 20 0 GFADRO C[C@@H]1CCN(C(=O)Nc2ccc3nccnc3c2Br)C[C@@H]1C[NH3+] ZINC000332645535 563609549 /nfs/dbraw/zinc/60/95/49/563609549.db2.gz WVHVVMYQCGEIRG-MNOVXSKESA-N 1 0 378.274 2.841 20 0 GFADRO C[C@@H]1CCN(C(=O)Nc2ccc3nccnc3c2Br)[C@H](C[NH3+])C1 ZINC000332657798 563610286 /nfs/dbraw/zinc/61/02/86/563610286.db2.gz ZSYSXHJIIXGLCM-MNOVXSKESA-N 1 0 378.274 2.983 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)[C@@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)CC[N@@H+]1C ZINC000332685494 563611689 /nfs/dbraw/zinc/61/16/89/563611689.db2.gz TYAUMZDGHNOMMU-XBFCOCLRSA-N 1 0 384.307 2.945 20 0 GFADRO C[C@@H]([NH2+][C@@H]1CCOc2c(Br)cccc21)C(=O)NC(=O)NC(C)(C)C ZINC000332709926 563612531 /nfs/dbraw/zinc/61/25/31/563612531.db2.gz YNFIJNOCBMKERF-ZWNOBZJWSA-N 1 0 398.301 2.875 20 0 GFADRO C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)Nc1ccn(-c2ccc(Br)cc2)n1 ZINC000332697624 563612549 /nfs/dbraw/zinc/61/25/49/563612549.db2.gz WGQUVKWZFAYBBC-QWHCGFSZSA-N 1 0 392.301 3.191 20 0 GFADRO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CCC1(O)CCOCC1 ZINC000287695543 563613750 /nfs/dbraw/zinc/61/37/50/563613750.db2.gz WXTZGVGEHUHNFZ-CYBMUJFWSA-N 1 0 385.302 2.687 20 0 GFADRO O=C(N[C@@H]1CCOc2ccc(Br)cc21)N[C@H]1CCc2[nH]cnc2C1 ZINC000332856782 563615202 /nfs/dbraw/zinc/61/52/02/563615202.db2.gz NXQSVYPXTKOSED-WCQYABFASA-N 1 0 391.269 2.853 20 0 GFADRO CC[NH+]1CCC(NC(=O)Nc2ccc3nccnc3c2Br)CC1 ZINC000287743189 563616466 /nfs/dbraw/zinc/61/64/66/563616466.db2.gz PLNZWRAORGOJKB-UHFFFAOYSA-N 1 0 378.274 2.998 20 0 GFADRO CS[C@@H]1CN(C(=O)N[C@@H](c2cc(F)ccc2F)C(F)F)C[C@H]1[NH+](C)C ZINC000433651291 563616983 /nfs/dbraw/zinc/61/69/83/563616983.db2.gz WCYKSTRNUZWTBR-MCIONIFRSA-N 1 0 379.423 2.958 20 0 GFADRO O=C(NCC[N@H+]1CC=CCC1)N[C@H](c1cncc(Br)c1)C1CC1 ZINC000287809402 563618832 /nfs/dbraw/zinc/61/88/32/563618832.db2.gz LTAKDZJIUNWWIP-INIZCTEOSA-N 1 0 379.302 2.856 20 0 GFADRO CSc1ccc(OC[C@H](O)C[N@@H+]2CCCC[C@H]2[C@@H](O)C(F)(F)F)cc1 ZINC000411412505 563618915 /nfs/dbraw/zinc/61/89/15/563618915.db2.gz FBXAZBSZYBDXAY-UHOFOFEASA-N 1 0 379.444 2.926 20 0 GFADRO C[N@H+](CCC(=O)Nc1ccc(Br)cc1F)C[C@H](O)C(F)(F)F ZINC000411449188 563619726 /nfs/dbraw/zinc/61/97/26/563619726.db2.gz RZZMWBORRNKIHJ-NSHDSACASA-N 1 0 387.171 2.772 20 0 GFADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2ncsc2Br)[C@H](C)C1 ZINC000287847751 563619882 /nfs/dbraw/zinc/61/98/82/563619882.db2.gz CBVFPSXPYYCNKY-NEPJUHHUSA-N 1 0 390.347 2.772 20 0 GFADRO Cc1nc(S(=O)(=O)NCc2ccc(N3CCC(C)CC3)nc2)sc1C ZINC000333217307 563624765 /nfs/dbraw/zinc/62/47/65/563624765.db2.gz CUBLXXRQBTWSGS-UHFFFAOYSA-N 1 0 380.539 2.870 20 0 GFADRO CCn1cc([C@@H]2NC(=O)CC[C@H]2[NH2+]Cc2cc(Br)cs2)cn1 ZINC000434004784 563624851 /nfs/dbraw/zinc/62/48/51/563624851.db2.gz UOFBAWIFPNIFNK-HIFRSBDPSA-N 1 0 383.315 2.837 20 0 GFADRO O=C(Nc1ccc2nccnc2c1Br)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000333254643 563626014 /nfs/dbraw/zinc/62/60/14/563626014.db2.gz CZSKFIDTAAXWHA-QJPTWQEYSA-N 1 0 390.285 2.902 20 0 GFADRO CCOC(=O)[C@@H]1CCCN(C(=O)C[NH2+][C@@H](C)c2ccc(Br)cc2)C1 ZINC000411634240 563627096 /nfs/dbraw/zinc/62/70/96/563627096.db2.gz BPXXLAZBJPYLPC-DZGCQCFKSA-N 1 0 397.313 2.901 20 0 GFADRO C[C@@H]1C[C@H](N(C)S(=O)(=O)Cc2cccc(Br)c2)CC[N@@H+]1C ZINC000288045338 563627075 /nfs/dbraw/zinc/62/70/75/563627075.db2.gz IHOGYKDDEFNNMA-IUODEOHRSA-N 1 0 375.332 2.693 20 0 GFADRO O=C(Nc1nnc(-c2c(F)cccc2Cl)s1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000333300117 563627310 /nfs/dbraw/zinc/62/73/10/563627310.db2.gz KGVDVNXEIKPPDV-JOYOIKCWSA-N 1 0 381.864 3.213 20 0 GFADRO [NH3+][C@@H]1CCO[C@H](C2CCN(C(=O)c3c(F)cccc3Br)CC2)C1 ZINC000333331926 563627874 /nfs/dbraw/zinc/62/78/74/563627874.db2.gz WIXCEZMMZINUSB-DOMZBBRYSA-N 1 0 385.277 2.947 20 0 GFADRO O=C(c1cnn([C@@H]2CCC[NH2+]C2)c1)N1CCc2cccc(Br)c2C1 ZINC000333315171 563627973 /nfs/dbraw/zinc/62/79/73/563627973.db2.gz SPSBBTJKUZNJMI-OAHLLOKOSA-N 1 0 389.297 2.769 20 0 GFADRO [NH3+][C@@H]1CCO[C@H](C2CCN(C(=O)c3ccc(F)cc3Br)CC2)C1 ZINC000333326117 563628043 /nfs/dbraw/zinc/62/80/43/563628043.db2.gz VJDCXHHBFOQCMQ-CJNGLKHVSA-N 1 0 385.277 2.947 20 0 GFADRO CN(C)c1cc(NC(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)ncc1Br ZINC000333359409 563628686 /nfs/dbraw/zinc/62/86/86/563628686.db2.gz SOAZMPNUHYKKIA-OLZOCXBDSA-N 1 0 396.333 2.764 20 0 GFADRO C[N@@H+]1CCC[C@H](CCNC(=O)C(=O)Nc2cc(Cl)c(F)c(Cl)c2)C1 ZINC000411671510 563629119 /nfs/dbraw/zinc/62/91/19/563629119.db2.gz MCIZUZKQGMPLLS-SNVBAGLBSA-N 1 0 376.259 2.919 20 0 GFADRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)Nc3nnc(-c4c(F)cccc4Cl)s3)C[C@H]12 ZINC000333366519 563629597 /nfs/dbraw/zinc/62/95/97/563629597.db2.gz UKQVBDYICGYWDX-HOTUBEGUSA-N 1 0 381.864 3.199 20 0 GFADRO C[C@H](NC(=O)C(=O)N(C)CC1CC[NH+](C)CC1)c1cccc(Cl)c1Cl ZINC000288145995 563630761 /nfs/dbraw/zinc/63/07/61/563630761.db2.gz LBZQHOQEJUPNAF-LBPRGKRZSA-N 1 0 386.323 2.971 20 0 GFADRO CSc1ccc(OC[C@H](O)C[N@@H+]2CC[C@@H](C(F)(F)F)[C@H](CO)C2)cc1 ZINC000411716197 563631136 /nfs/dbraw/zinc/63/11/36/563631136.db2.gz FIIFZSJTALDEMD-WOSRLPQWSA-N 1 0 379.444 2.641 20 0 GFADRO CC1(C)Cc2c(cccc2Br)[C@@H]1[NH2+]CC(=O)NC[C@H]1CCCO1 ZINC000411754288 563633110 /nfs/dbraw/zinc/63/31/10/563633110.db2.gz DVHNGQMLUXMAPZ-PXAZEXFGSA-N 1 0 381.314 2.957 20 0 GFADRO O=C(CC[NH2+][C@@H](C1CC1)[C@]1(CO)CCCO1)Nc1ccc(Br)cc1 ZINC000411771766 563633423 /nfs/dbraw/zinc/63/34/23/563633423.db2.gz OZDMQWZWTPFZME-ZWKOTPCHSA-N 1 0 397.313 2.687 20 0 GFADRO O=C(CC[NH2+][C@@H](C1CC1)[C@]1(CO)CCCO1)Nc1cccc(Br)c1 ZINC000411774657 563633606 /nfs/dbraw/zinc/63/36/06/563633606.db2.gz VXKDZLQJBAAWMO-ZWKOTPCHSA-N 1 0 397.313 2.687 20 0 GFADRO CC(C)(C)c1ccc(S(=O)(=O)N2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)s1 ZINC000333476769 563634084 /nfs/dbraw/zinc/63/40/84/563634084.db2.gz BOEHRYPNLSMPGQ-YOEHRIQHSA-N 1 0 386.583 2.953 20 0 GFADRO O=C(N[C@@H]1COc2cc(F)c(Br)cc21)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000333590255 563636791 /nfs/dbraw/zinc/63/67/91/563636791.db2.gz AZAVXHPELVNWDJ-JNIYBQFBSA-N 1 0 398.276 2.709 20 0 GFADRO CC[N@@H+]1CCN(C(=O)Cc2csc(NC(=O)c3cccs3)n2)[C@H](C)C1 ZINC000288314324 563637471 /nfs/dbraw/zinc/63/74/71/563637471.db2.gz HQZOZPNSAUQOKS-GFCCVEGCSA-N 1 0 378.523 2.552 20 0 GFADRO CN(C)c1cc(NC(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)ncc1Br ZINC000333646423 563638134 /nfs/dbraw/zinc/63/81/34/563638134.db2.gz JTZGKPJSFGXVTD-QGZVFWFLSA-N 1 0 396.333 2.860 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+]CC(C)(C)OCCO ZINC000288359438 563639593 /nfs/dbraw/zinc/63/95/93/563639593.db2.gz CULLZWFYIZKBIA-UHFFFAOYSA-N 1 0 382.302 2.820 20 0 GFADRO Brc1cccc2c1OCCC[C@@H]2[NH2+][C@@H]1CCc2nnnn2CC1 ZINC000333711976 563639828 /nfs/dbraw/zinc/63/98/28/563639828.db2.gz IMSLLUAWDPEPSJ-RISCZKNCSA-N 1 0 378.274 2.644 20 0 GFADRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NCc1cc(F)c(Cl)cc1F ZINC000434865030 563639867 /nfs/dbraw/zinc/63/98/67/563639867.db2.gz NDZPBTGGXXSGIG-NSHDSACASA-N 1 0 375.847 2.605 20 0 GFADRO CCN(C(C)=O)c1nc(C[NH2+]CCCn2cc(Br)cn2)cs1 ZINC000288371640 563640255 /nfs/dbraw/zinc/64/02/55/563640255.db2.gz FECPBGYFJNFEND-UHFFFAOYSA-N 1 0 386.319 2.655 20 0 GFADRO C[NH+](C)C[C@H]1CCCN1C(=O)c1cc(I)c(F)cc1F ZINC000435928622 563660653 /nfs/dbraw/zinc/66/06/53/563660653.db2.gz VYYOSSNQOKZVHB-SECBINFHSA-N 1 0 394.203 2.736 20 0 GFADRO COC(=O)[C@H]1CN(Cc2ccc(Br)c3cccnc23)CC[N@H+](C)C1 ZINC000411922561 563640982 /nfs/dbraw/zinc/64/09/82/563640982.db2.gz UXTLAZPPMIHGGO-CQSZACIVSA-N 1 0 392.297 2.534 20 0 GFADRO O=C(c1cc2c(c(Br)c1)OCO2)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000333769336 563641728 /nfs/dbraw/zinc/64/17/28/563641728.db2.gz BUJUAQAGRDFNFW-SMDDNHRTSA-N 1 0 381.270 2.782 20 0 GFADRO C[C@H]1C[C@H](NC(=O)c2cc(I)c(F)cc2F)CC[N@@H+]1C ZINC000435072686 563642062 /nfs/dbraw/zinc/64/20/62/563642062.db2.gz HXKCXLHTFOENKS-DTWKUNHWSA-N 1 0 394.203 2.782 20 0 GFADRO Cc1c(C(=O)N2CCC3(CC[NH2+]3)CC2)cnn1-c1ccc(Br)cc1 ZINC000333855625 563643975 /nfs/dbraw/zinc/64/39/75/563643975.db2.gz QVTVJLPGHOJSDM-UHFFFAOYSA-N 1 0 389.297 2.911 20 0 GFADRO C[C@H](NC(=O)C[NH2+]C(C)(C)CN1CCOCC1)c1ccc(Cl)c(Cl)c1 ZINC000412001664 563644042 /nfs/dbraw/zinc/64/40/42/563644042.db2.gz HLKIFMZVLGNWAI-ZDUSSCGKSA-N 1 0 388.339 2.871 20 0 GFADRO C[C@@H](NC(=O)C[NH2+]C(C)(C)CN1CCOCC1)c1ccc(Cl)cc1Cl ZINC000412003889 563644249 /nfs/dbraw/zinc/64/42/49/563644249.db2.gz QTCWXPOPOWWCCM-CYBMUJFWSA-N 1 0 388.339 2.871 20 0 GFADRO COC(=O)c1ccc(C[N@@H+]2CC[C@@H](c3nnc(C)[nH]3)C2)c(Br)c1 ZINC000412034136 563644901 /nfs/dbraw/zinc/64/49/01/563644901.db2.gz DOOHVCQETDHDJL-CYBMUJFWSA-N 1 0 379.258 2.652 20 0 GFADRO O=C(N[C@@H]1CCOc2ccc(Br)cc21)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000333949911 563646413 /nfs/dbraw/zinc/64/64/13/563646413.db2.gz XQZXSBJYTCTYKB-BYCMXARLSA-N 1 0 380.286 2.666 20 0 GFADRO COC(=O)[C@@H]1CSCC[N@@H+]([C@@H](C)C(=O)N[C@H](C)c2ccc(Cl)cc2)C1 ZINC000412074232 563646927 /nfs/dbraw/zinc/64/69/27/563646927.db2.gz LKGXOLJCBRPMAV-IPYPFGDCSA-N 1 0 384.929 2.744 20 0 GFADRO CC(C)[N@H+](C[C@H](O)COc1c(Cl)cccc1Cl)C[C@H]1CCC(=O)N1 ZINC000412080908 563647729 /nfs/dbraw/zinc/64/77/29/563647729.db2.gz ODLQDZQIUREJGJ-OLZOCXBDSA-N 1 0 375.296 2.722 20 0 GFADRO C[C@H](C(=O)N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1)N1CCOCC1 ZINC000435354079 563648073 /nfs/dbraw/zinc/64/80/73/563648073.db2.gz KUZAYGAQVTYRPD-VXGBXAGGSA-N 1 0 377.432 2.589 20 0 GFADRO Cc1cn(C)nc1C(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000412209547 563650294 /nfs/dbraw/zinc/65/02/94/563650294.db2.gz QELABUUHHXRFRC-UHFFFAOYSA-N 1 0 379.302 2.695 20 0 GFADRO CC[NH+]1CCN(CCC(=O)NCc2cccc(Br)c2Cl)CC1 ZINC000412495295 563660069 /nfs/dbraw/zinc/66/00/69/563660069.db2.gz YFOMIXUOBRNGJR-UHFFFAOYSA-N 1 0 388.737 2.746 20 0 GFADRO CC[NH+]1CCN(CC(=O)N2CCC[C@H]2c2ccc(Br)c(F)c2)CC1 ZINC000435961478 563661536 /nfs/dbraw/zinc/66/15/36/563661536.db2.gz CCFLGCYCMBIOPQ-KRWDZBQOSA-N 1 0 398.320 2.889 20 0 GFADRO C[C@@H](C[NH+]1CCOCC1)C(=O)NCc1cc(Cl)cc(Br)c1 ZINC000412620782 563663528 /nfs/dbraw/zinc/66/35/28/563663528.db2.gz GKWLCDXAYKXHLQ-NSHDSACASA-N 1 0 375.694 2.687 20 0 GFADRO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)C[NH2+][C@@H](C)Cn1cccn1 ZINC000436117660 563665058 /nfs/dbraw/zinc/66/50/58/563665058.db2.gz YLBUJMLKCBJMPT-JTQLQIEISA-N 1 0 385.251 2.593 20 0 GFADRO C[N@@H+]1CC[C@H](c2nc(Cc3cc(Br)c4c(c3)OCCO4)no2)C1 ZINC000350019783 563667244 /nfs/dbraw/zinc/66/72/44/563667244.db2.gz CRLZNOGBPVJOQE-NSHDSACASA-N 1 0 380.242 2.613 20 0 GFADRO Cc1cc(C[NH+]2CCC(C(=O)N3CCN(C)CC3)CC2)ccc1Br ZINC000289140159 563669684 /nfs/dbraw/zinc/66/96/84/563669684.db2.gz AFSXKIXAKARVLI-UHFFFAOYSA-N 1 0 394.357 2.744 20 0 GFADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)Nc3cnc4c(Br)cccn34)[C@@H]2C1 ZINC000436499969 563672899 /nfs/dbraw/zinc/67/28/99/563672899.db2.gz UESMYSYADSAVPU-DGCLKSJQSA-N 1 0 378.274 2.655 20 0 GFADRO CCS(=O)(=O)NC1CC[NH+](Cc2cc(C)c(OC(F)F)c(C)c2)CC1 ZINC000289452664 563674275 /nfs/dbraw/zinc/67/42/75/563674275.db2.gz NKIGOYLDRHYRPY-UHFFFAOYSA-N 1 0 376.469 2.809 20 0 GFADRO Cc1noc(C)c1CC[NH2+]Cc1cn(-c2ccccc2Br)nn1 ZINC000289547291 563678155 /nfs/dbraw/zinc/67/81/55/563678155.db2.gz PVLIYZRGIDMRSQ-UHFFFAOYSA-N 1 0 376.258 2.967 20 0 GFADRO COc1ccc(CNC(=O)C[NH2+][C@H](C)c2ccc(Br)nc2)cc1 ZINC000289598417 563679950 /nfs/dbraw/zinc/67/99/50/563679950.db2.gz FVVQJFDNZJYKCT-GFCCVEGCSA-N 1 0 378.270 2.820 20 0 GFADRO OCc1cn(CCC[NH2+][C@@H]2CCc3c2cc(Br)cc3Cl)nn1 ZINC000289605101 563680140 /nfs/dbraw/zinc/68/01/40/563680140.db2.gz CUHAIZPNPUYIKT-OAHLLOKOSA-N 1 0 385.693 2.854 20 0 GFADRO O[C@H]1[C@H](C[NH2+]Cc2nc3ccccn3c2Br)CCC12CCOCC2 ZINC000289662392 563682057 /nfs/dbraw/zinc/68/20/57/563682057.db2.gz LZHGKPBLZLRBMF-BBRMVZONSA-N 1 0 394.313 2.754 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000360455638 563692854 /nfs/dbraw/zinc/69/28/54/563692854.db2.gz RWSRJGBJFBZYPO-SNPRPXQTSA-N 1 0 393.336 2.866 20 0 GFADRO CC(C)(CO)[C@@H]([NH2+]C[C@H](O)c1ccc(S(C)(=O)=O)cc1)c1cccs1 ZINC000289999339 563694372 /nfs/dbraw/zinc/69/43/72/563694372.db2.gz YXBKNHGROBEIOQ-RDJZCZTQSA-N 1 0 383.535 2.534 20 0 GFADRO C[C@@H](C[NH2+]Cc1cn(-c2ccccc2Br)nn1)Cn1ccnc1 ZINC000290017056 563695532 /nfs/dbraw/zinc/69/55/32/563695532.db2.gz UWMNTBSBKKCGGJ-ZDUSSCGKSA-N 1 0 375.274 2.652 20 0 GFADRO COc1cc([C@H](C)[NH2+][C@H](CO)C2CCCC2)ccc1S(=O)(=O)C(F)F ZINC000290071934 563697521 /nfs/dbraw/zinc/69/75/21/563697521.db2.gz GDSGCPDWCHHZAX-SMDDNHRTSA-N 1 0 377.453 2.893 20 0 GFADRO CC[C@@H]1[NH2+]CC[C@H]1C(=O)NC1CCN(Cc2ccc(Br)cc2)CC1 ZINC000290142744 563699419 /nfs/dbraw/zinc/69/94/19/563699419.db2.gz MPDXNBKSFKDQSK-MSOLQXFVSA-N 1 0 394.357 2.918 20 0 GFADRO CC[C@H]1[NH2+]CC[C@H]1C(=O)NC1CCN(Cc2ccc(Br)cc2)CC1 ZINC000290142746 563699604 /nfs/dbraw/zinc/69/96/04/563699604.db2.gz MPDXNBKSFKDQSK-QZTJIDSGSA-N 1 0 394.357 2.918 20 0 GFADRO CCOC(=O)C[C@H](NC(=O)[C@@H](CC)[NH+](C)C)c1cccc(Br)c1 ZINC000413716233 563703046 /nfs/dbraw/zinc/70/30/46/563703046.db2.gz OGXURRXHAOMXHJ-LSDHHAIUSA-N 1 0 385.302 2.900 20 0 GFADRO O=C(C[C@@H](O)c1cc(Cl)cc(Cl)c1)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000362272564 563705299 /nfs/dbraw/zinc/70/52/99/563705299.db2.gz GULQMDWNVHPFRJ-DLBZAZTESA-N 1 0 387.307 2.786 20 0 GFADRO Cc1cc(Br)c(C(=O)N[C@@H](CO)C[NH+]2CCCCC2)cc1Cl ZINC000413804981 563706612 /nfs/dbraw/zinc/70/66/12/563706612.db2.gz ZOMNXXWCBXACOG-GFCCVEGCSA-N 1 0 389.721 2.988 20 0 GFADRO Brc1ccn2cc(CN3CC[NH+](CC4CCOCC4)CC3)nc2c1 ZINC000290364375 563706800 /nfs/dbraw/zinc/70/68/00/563706800.db2.gz HCQFPICFSADPNR-UHFFFAOYSA-N 1 0 393.329 2.641 20 0 GFADRO NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1Cc1nnc(-c2ccc(Br)o2)o1 ZINC000362445640 563707173 /nfs/dbraw/zinc/70/71/73/563707173.db2.gz AVXMPJXPLFGXJK-DCAQKATOSA-N 1 0 395.257 2.711 20 0 GFADRO CO[C@@H](C(=O)Nc1cc(Br)ccc1N1CC[N@H+](C)C[C@H]1C)C1CC1 ZINC000413843443 563707351 /nfs/dbraw/zinc/70/73/51/563707351.db2.gz JKUANAFYZLLWPK-SJKOYZFVSA-N 1 0 396.329 2.953 20 0 GFADRO CSc1ccccc1NC(=O)CN(C)C(=O)[C@]1([NH+](C)C)CCCSC1 ZINC000362687203 563708466 /nfs/dbraw/zinc/70/84/66/563708466.db2.gz QOJOCWCVIUXBME-SFHVURJKSA-N 1 0 381.567 2.633 20 0 GFADRO Cc1c[nH+]ccc1N1CCC(C(=O)Nc2c[nH]cc(Br)c2=O)CC1 ZINC000362727651 563708584 /nfs/dbraw/zinc/70/85/84/563708584.db2.gz BSMZJTDTFCIANK-UHFFFAOYSA-N 1 0 391.269 2.696 20 0 GFADRO C[C@H](C[NH+]1CCOCC1)C(=O)N(C)[C@H]1CCOc2ccc(Br)cc21 ZINC000438637018 563708988 /nfs/dbraw/zinc/70/89/88/563708988.db2.gz MRXIJJLZFUCEPF-CJNGLKHVSA-N 1 0 397.313 2.699 20 0 GFADRO O=C(Nc1c(F)cccc1Br)C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000438808126 563710926 /nfs/dbraw/zinc/71/09/26/563710926.db2.gz RRBAUOVIMIXEPL-NSHDSACASA-N 1 0 398.276 2.660 20 0 GFADRO O=S(=O)(CC1CC1)NC1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000363045465 563712627 /nfs/dbraw/zinc/71/26/27/563712627.db2.gz JMXBECYCRRRNTH-UHFFFAOYSA-N 1 0 376.444 2.999 20 0 GFADRO C[NH+]1CCC(NC(=O)NCCc2c[nH]c3cccc(Br)c23)CC1 ZINC000290618089 563715417 /nfs/dbraw/zinc/71/54/17/563715417.db2.gz BXFUJCCAMDFMCP-UHFFFAOYSA-N 1 0 379.302 2.866 20 0 GFADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@H](Cc1ccccc1)CN(C)C ZINC000414068439 563717487 /nfs/dbraw/zinc/71/74/87/563717487.db2.gz JSQOSGRKVBWPKQ-CRAIPNDOSA-N 1 0 392.341 2.762 20 0 GFADRO CC(C)Oc1ccc(C[NH2+][C@@H](C)Cn2cc(Br)ccc2=O)cn1 ZINC000414076866 563717989 /nfs/dbraw/zinc/71/79/89/563717989.db2.gz QPOYXYZZRCHAJI-ZDUSSCGKSA-N 1 0 380.286 2.971 20 0 GFADRO COc1cccc(C[NH2+][C@@H](C)Cn2cc(Br)ccc2=O)c1OC ZINC000414083986 563718095 /nfs/dbraw/zinc/71/80/95/563718095.db2.gz XJBLFISREFRFDC-LBPRGKRZSA-N 1 0 381.270 2.806 20 0 GFADRO C[C@]1(C[NH3+])CCN(C(=O)Nc2ccc(F)cc2I)C1 ZINC000415253907 563764314 /nfs/dbraw/zinc/76/43/14/563764314.db2.gz RLEDPDVRJKZSAW-CYBMUJFWSA-N 1 0 377.201 2.633 20 0 GFADRO CSC[C@H](CCO)NC(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1cccc(Cl)c1 ZINC000363251929 563718279 /nfs/dbraw/zinc/71/82/79/563718279.db2.gz MBSATGYJEFNJKL-XIRDDKMYSA-N 1 0 385.961 2.746 20 0 GFADRO CN1CCC([N@@H+]2CC[C@H](NC(=O)COc3ccc(Cl)cc3Cl)C2)CC1 ZINC000363339559 563719833 /nfs/dbraw/zinc/71/98/33/563719833.db2.gz YVCQJYADZDBUMT-AWEZNQCLSA-N 1 0 386.323 2.657 20 0 GFADRO CCN(CC[NH2+][C@@H](C)Cn1cc(Br)ccc1=O)CCC(F)(F)F ZINC000414134813 563720222 /nfs/dbraw/zinc/72/02/22/563720222.db2.gz NWHRMWFQJWJWMG-LBPRGKRZSA-N 1 0 398.267 2.863 20 0 GFADRO C[NH+]1CCC(CCNC(=O)N2CCC(n3cc(Br)cn3)CC2)CC1 ZINC000363395518 563721290 /nfs/dbraw/zinc/72/12/90/563721290.db2.gz NJVVAWDOECBZNA-UHFFFAOYSA-N 1 0 398.349 2.724 20 0 GFADRO O[C@H](C[NH2+][C@@H](c1ccc(Br)cc1Cl)C1CC1)Cn1ccnn1 ZINC000414197537 563721961 /nfs/dbraw/zinc/72/19/61/563721961.db2.gz VZVTYKCFKTWVBG-IUODEOHRSA-N 1 0 385.693 2.796 20 0 GFADRO CC[C@]1(CO)CCC[N@@H+]1C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000439291503 563722313 /nfs/dbraw/zinc/72/23/13/563722313.db2.gz DGDDAKFYNUOMKY-GDBMZVCRSA-N 1 0 376.266 2.565 20 0 GFADRO C[C@H]([NH2+]Cc1ccc(S(N)(=O)=O)c(Cl)c1)c1ccc2c(c1)OCCO2 ZINC000414243984 563723399 /nfs/dbraw/zinc/72/33/99/563723399.db2.gz AFIVYKCZCNFFFX-NSHDSACASA-N 1 0 382.869 2.609 20 0 GFADRO C[C@H]1[N@H+](C[C@H](O)COc2cc(F)cc(Br)c2)CCOC1(C)C ZINC000439422780 563723587 /nfs/dbraw/zinc/72/35/87/563723587.db2.gz NLKPZTQVURYHIY-RISCZKNCSA-N 1 0 376.266 2.827 20 0 GFADRO CN(C)[C@@H](C[NH2+]Cc1ccc(S(N)(=O)=O)c(Cl)c1)c1ccc(F)cc1 ZINC000414284904 563724537 /nfs/dbraw/zinc/72/45/37/563724537.db2.gz HJBYHSSNXXGZDH-INIZCTEOSA-N 1 0 385.892 2.519 20 0 GFADRO C[N@H+](C[C@H](O)COc1cc(F)cc(Br)c1)C[C@H]1CCCCO1 ZINC000439433729 563724843 /nfs/dbraw/zinc/72/48/43/563724843.db2.gz CFDLUJNDSKSFDD-LSDHHAIUSA-N 1 0 376.266 2.829 20 0 GFADRO C[C@@H]1CCC[C@H](CO)[N@@H+]1C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000439449478 563725907 /nfs/dbraw/zinc/72/59/07/563725907.db2.gz ISUXYLGIPAMIAJ-KCPJHIHWSA-N 1 0 376.266 2.563 20 0 GFADRO NC(=O)c1cn(CCCC[NH2+][C@@H](c2ccc(Br)cc2)C2CC2)nn1 ZINC000414347738 563728608 /nfs/dbraw/zinc/72/86/08/563728608.db2.gz HWPAGMNLNGJQOE-MRXNPFEDSA-N 1 0 392.301 2.661 20 0 GFADRO Cc1cc(Br)c(F)cc1NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000439597541 563729045 /nfs/dbraw/zinc/72/90/45/563729045.db2.gz QYWULPFQRPWSHT-GFCCVEGCSA-N 1 0 398.276 2.530 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+]CCc2nc(C(F)(F)F)cs2)cc1Cl ZINC000414362936 563729194 /nfs/dbraw/zinc/72/91/94/563729194.db2.gz WSZWUFROSCQQPY-UHFFFAOYSA-N 1 0 399.847 2.795 20 0 GFADRO CCCS(=O)(=O)CCN1CCC([C@H]2c3ccc(Cl)cc3NC2=O)CC1 ZINC000363657701 563729446 /nfs/dbraw/zinc/72/94/46/563729446.db2.gz DZAUTKPXKZDNBJ-KRWDZBQOSA-N 1 0 384.929 2.913 20 0 GFADRO C[C@@H](Cn1cc(Br)cn1)[NH2+]C[C@H]1CCCN(Cc2cccnc2)C1 ZINC000363783254 563733043 /nfs/dbraw/zinc/73/30/43/563733043.db2.gz JUQKDWNQSIPUGS-DOTOQJQBSA-N 1 0 392.345 2.931 20 0 GFADRO Cc1cc(Br)ccc1C(=O)N1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000363923876 563736757 /nfs/dbraw/zinc/73/67/57/563736757.db2.gz SUORGDHWCFCBGM-QGZVFWFLSA-N 1 0 394.357 2.998 20 0 GFADRO [NH3+]C1CCN(S(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1 ZINC000440341519 563739360 /nfs/dbraw/zinc/73/93/60/563739360.db2.gz MQOTZWPZQIIHGY-UHFFFAOYSA-N 1 0 376.322 2.836 20 0 GFADRO CC(C)c1ccc([C@H]([NH3+])CNS(=O)(=O)c2ccc(Br)cn2)cc1 ZINC000440353695 563740220 /nfs/dbraw/zinc/74/02/20/563740220.db2.gz IYVDNMFZVSGGJO-OAHLLOKOSA-N 1 0 398.326 2.946 20 0 GFADRO O=S(=O)(NCC[C@@H]1CCC[NH2+]C1)c1cc(Br)sc1Cl ZINC000440417943 563741494 /nfs/dbraw/zinc/74/14/94/563741494.db2.gz RERYJPZVNVVRTG-QMMMGPOBSA-N 1 0 387.752 2.832 20 0 GFADRO C[C@@H]([NH3+])C1CCN(C(=O)[C@H]2CCCN(c3ccc(Br)cn3)C2)CC1 ZINC000364139694 563744686 /nfs/dbraw/zinc/74/46/86/563744686.db2.gz OCNNLOUVQDZXNN-HIFRSBDPSA-N 1 0 395.345 2.646 20 0 GFADRO Cc1cc(Br)c(F)cc1NC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000364195393 563745324 /nfs/dbraw/zinc/74/53/24/563745324.db2.gz AUJMEOMPWWOIID-VXGBXAGGSA-N 1 0 398.276 2.578 20 0 GFADRO OC[C@@H](C[NH2+]Cc1ncc(I)s1)c1ccc(F)cc1 ZINC000414536792 563745944 /nfs/dbraw/zinc/74/59/44/563745944.db2.gz YCAKWPLJTXBHCB-SNVBAGLBSA-N 1 0 392.237 2.753 20 0 GFADRO CN1CCC([N@@H+]2CC[C@H](NC(=O)CCc3cccc(Br)c3)C2)CC1 ZINC000364204845 563746279 /nfs/dbraw/zinc/74/62/79/563746279.db2.gz BVBXYTKTHWMGJJ-KRWDZBQOSA-N 1 0 394.357 2.666 20 0 GFADRO CS(=O)(=O)CC1(C[NH2+]Cc2cc(Br)cc3c2OCC3)CCC1 ZINC000414556538 563747131 /nfs/dbraw/zinc/74/71/31/563747131.db2.gz OGHYROHZMMHXLS-UHFFFAOYSA-N 1 0 388.327 2.689 20 0 GFADRO COc1ccc(CNC(=O)[C@]2([NH3+])[C@H]3CCCO[C@@H]3C2(C)C)cc1Br ZINC000364219690 563747142 /nfs/dbraw/zinc/74/71/42/563747142.db2.gz WRODTOVPXXJJHQ-XLWVJDPXSA-N 1 0 397.313 2.606 20 0 GFADRO Cc1cc(Br)cn2c(C[N@@H+](C[C@H]3CCC(=O)N3)C(C)C)cnc12 ZINC000414586249 563747842 /nfs/dbraw/zinc/74/78/42/563747842.db2.gz UOWBBLQEADLLPO-CQSZACIVSA-N 1 0 379.302 2.894 20 0 GFADRO CC(C)[C@@H]([NH3+])CNS(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCCCO1 ZINC000440735674 563748971 /nfs/dbraw/zinc/74/89/71/563748971.db2.gz OQSHNZXWRFASJE-CABCVRRESA-N 1 0 390.933 2.550 20 0 GFADRO C[C@@H]1CN(S(=O)(=O)c2cc(Cl)c(Br)cc2F)CC[C@H]1[NH3+] ZINC000440758815 563749633 /nfs/dbraw/zinc/74/96/33/563749633.db2.gz WHHBLVPMHWGMJG-RDDDGLTNSA-N 1 0 385.686 2.599 20 0 GFADRO C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)Nc1cccc(I)c1 ZINC000414688636 563750226 /nfs/dbraw/zinc/75/02/26/563750226.db2.gz DKKLSOLJDFOJAI-BXKDBHETSA-N 1 0 389.237 2.526 20 0 GFADRO Cc1cc(F)c(Br)cc1S(=O)(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000440801421 563750398 /nfs/dbraw/zinc/75/03/98/563750398.db2.gz PAMSWLGOBRKDMR-LLVKDONJSA-N 1 0 379.295 2.646 20 0 GFADRO CC(C)C[C@@H]([NH3+])CN1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000414746131 563751492 /nfs/dbraw/zinc/75/14/92/563751492.db2.gz LSLHVFVNLNXVKU-DZGCQCFKSA-N 1 0 383.334 2.868 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)Nc2ncc(Cc3cccc(Cl)c3)s2)CCCO1 ZINC000414746910 563751581 /nfs/dbraw/zinc/75/15/81/563751581.db2.gz ZYQQHVAMODMRGQ-AWEZNQCLSA-N 1 0 380.901 2.969 20 0 GFADRO C[C@]1(CNS(=O)(=O)c2cccc(Cl)c2Br)CCC[NH2+]C1 ZINC000440838120 563751911 /nfs/dbraw/zinc/75/19/11/563751911.db2.gz NEBDNOHCCSBHSN-ZDUSSCGKSA-N 1 0 381.723 2.771 20 0 GFADRO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NS(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000440856990 563752328 /nfs/dbraw/zinc/75/23/28/563752328.db2.gz RULLBVACMFGXNJ-ROUUACIJSA-N 1 0 380.897 2.773 20 0 GFADRO Cc1ccc(NC(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])cc1Br ZINC000414795805 563752636 /nfs/dbraw/zinc/75/26/36/563752636.db2.gz XCPUALGCXFTNKF-CQSZACIVSA-N 1 0 397.317 2.609 20 0 GFADRO O=C(Nc1ccc(I)cc1Cl)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000414800108 563752757 /nfs/dbraw/zinc/75/27/57/563752757.db2.gz RTXDQSKXXANMPO-PELKAZGASA-N 1 0 391.640 2.770 20 0 GFADRO CS(=O)(=O)[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 ZINC000364469216 563754577 /nfs/dbraw/zinc/75/45/77/563754577.db2.gz TURDTLGLHKKTGR-XOKHGSTOSA-N 1 0 384.929 2.638 20 0 GFADRO CCOCCOc1ccc(Br)cc1CN[C@@H]1C[NH2+]CCC1(F)F ZINC000414995509 563756257 /nfs/dbraw/zinc/75/62/57/563756257.db2.gz FRKHRCAGNLFYLE-OAHLLOKOSA-N 1 0 393.272 2.951 20 0 GFADRO Fc1ccc(I)c(F)c1CN[C@@H]1C[NH2+]CCC1(F)F ZINC000415005187 563756932 /nfs/dbraw/zinc/75/69/32/563756932.db2.gz REXDPYHTMRWFTL-SNVBAGLBSA-N 1 0 388.146 2.656 20 0 GFADRO COC(=O)c1sccc1S(=O)(=O)N1CCC[C@H]1C[NH+]1CCCCCC1 ZINC000364561607 563757628 /nfs/dbraw/zinc/75/76/28/563757628.db2.gz PMTPAKRYGHAOQA-AWEZNQCLSA-N 1 0 386.539 2.564 20 0 GFADRO NS(=O)(=O)c1ccc(OCC[N@@H+]2CCS[C@@H](c3ccccc3)C2)cc1 ZINC000364556875 563757676 /nfs/dbraw/zinc/75/76/76/563757676.db2.gz KYBIPZJLMOADKB-GOSISDBHSA-N 1 0 378.519 2.503 20 0 GFADRO COC(=O)c1cc(Br)cc(C(=O)N(C)CC2CC[NH+](C)CC2)c1 ZINC000291785757 563758987 /nfs/dbraw/zinc/75/89/87/563758987.db2.gz XGRHASMMZCOADW-UHFFFAOYSA-N 1 0 383.286 2.650 20 0 GFADRO C[NH2+]C[C@@H]1CCCN1C(=O)Nc1cc(F)c(I)c(F)c1 ZINC000415122601 563759538 /nfs/dbraw/zinc/75/95/38/563759538.db2.gz OKRGLWROPBQSCM-VIFPVBQESA-N 1 0 395.191 2.785 20 0 GFADRO CC1(C)CN(C(=O)Nc2cc(F)c(I)c(F)c2)CC[NH2+]1 ZINC000415120706 563759543 /nfs/dbraw/zinc/75/95/43/563759543.db2.gz LXQXAYCLWHBINU-UHFFFAOYSA-N 1 0 395.191 2.785 20 0 GFADRO [NH3+][C@@H](CNC(=O)Nc1cc(Br)cnc1OCC(F)(F)F)C1CC1 ZINC000415165917 563761168 /nfs/dbraw/zinc/76/11/68/563761168.db2.gz DGPMWUXPGQNFHC-VIFPVBQESA-N 1 0 397.195 2.644 20 0 GFADRO C[C@](C[NH3+])(NC(=O)Nc1cc(Br)ccc1-n1cccn1)C1CC1 ZINC000415153926 563761357 /nfs/dbraw/zinc/76/13/57/563761357.db2.gz DFVFNSXIKZEIQA-MRXNPFEDSA-N 1 0 378.274 2.884 20 0 GFADRO C[C@@H]1CN(C(=O)Nc2cc(Br)cnc2OCC(F)(F)F)C[C@H]1[NH3+] ZINC000415167334 563761813 /nfs/dbraw/zinc/76/18/13/563761813.db2.gz GPAIMRSRNOWMSJ-VXNVDRBHSA-N 1 0 397.195 2.596 20 0 GFADRO C[NH2+][C@@H]1CCN(C(=O)Nc2cc(Br)cnc2OCC(F)(F)F)C1 ZINC000415182432 563761868 /nfs/dbraw/zinc/76/18/68/563761868.db2.gz YYPOMOKSUJWUEL-SECBINFHSA-N 1 0 397.195 2.611 20 0 GFADRO COC[C@@]1(CNC(=O)Nc2c(F)cc(Br)cc2F)CCC[NH2+]1 ZINC000415206728 563762192 /nfs/dbraw/zinc/76/21/92/563762192.db2.gz CPXRLRQMTNICNM-AWEZNQCLSA-N 1 0 378.217 2.617 20 0 GFADRO [NH3+][C@H]1CCCN(C(=O)Nc2ccc(CCn3cc(Br)cn3)cc2)C1 ZINC000415206622 563762440 /nfs/dbraw/zinc/76/24/40/563762440.db2.gz DIEDUMUAKLTJCB-HNNXBMFYSA-N 1 0 392.301 2.843 20 0 GFADRO CC(C)[C@H]([NH3+])CCN(C)C(=O)Nc1ccc(NS(C)(=O)=O)c(Cl)c1 ZINC000415202559 563762569 /nfs/dbraw/zinc/76/25/69/563762569.db2.gz OGYHFBBPWULZEE-CYBMUJFWSA-N 1 0 376.910 2.549 20 0 GFADRO O=C(Nc1cnn(CC[NH+]2CCCCC2)c1)C(=O)Nc1ccsc1Cl ZINC000364724105 563762590 /nfs/dbraw/zinc/76/25/90/563762590.db2.gz NKMCMHRQMSEZHK-UHFFFAOYSA-N 1 0 381.889 2.661 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)Nc2cc(F)c(F)cc2I)C1 ZINC000415237423 563762937 /nfs/dbraw/zinc/76/29/37/563762937.db2.gz ILRKHWYKBSWPHJ-SFYZADRCSA-N 1 0 395.191 2.770 20 0 GFADRO [NH3+][C@@H]1CCCN(C(=O)Nc2cc(F)c(F)cc2I)C1 ZINC000415240072 563763119 /nfs/dbraw/zinc/76/31/19/563763119.db2.gz PTDRJDGJKORPTJ-SSDOTTSWSA-N 1 0 381.164 2.524 20 0 GFADRO C[NH2+]CC1CCN(C(=O)Nc2ccc(F)cc2I)CC1 ZINC000415249283 563763680 /nfs/dbraw/zinc/76/36/80/563763680.db2.gz JFNGVWWIWGCTCF-UHFFFAOYSA-N 1 0 391.228 2.894 20 0 GFADRO C[C@@H](C(=O)Nc1cccc(Br)c1)N1CCC(F)(F)[C@@H](CO)C1 ZINC000291887491 563763703 /nfs/dbraw/zinc/76/37/03/563763703.db2.gz QNINQHSCFGZHHR-WDEREUQCSA-N 1 0 377.229 2.726 20 0 GFADRO C[NH+]1CCC2(CCCN2C(=O)C(=O)Nc2cc(Br)ccc2F)CC1 ZINC000364771151 563763786 /nfs/dbraw/zinc/76/37/86/563763786.db2.gz OPJHKLYHJHSLFX-UHFFFAOYSA-N 1 0 398.276 2.614 20 0 GFADRO O=C(NC[C@@H]1CCC[NH2+]1)Nc1cc(I)ccc1Cl ZINC000415275120 563764674 /nfs/dbraw/zinc/76/46/74/563764674.db2.gz YEZNAXFDKOSTMK-VIFPVBQESA-N 1 0 379.629 2.818 20 0 GFADRO [NH3+][C@@H]1CCCN(C(=O)C(=O)Nc2cc(Cl)ccc2SCC(F)(F)F)C1 ZINC000415263818 563764700 /nfs/dbraw/zinc/76/47/00/563764700.db2.gz BKDONWYHVKDYFX-SNVBAGLBSA-N 1 0 395.834 2.883 20 0 GFADRO O=C(Nc1ccc(Br)c(F)c1)C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000441837588 563764885 /nfs/dbraw/zinc/76/48/85/563764885.db2.gz JERHFJOCGDCKBO-GFCCVEGCSA-N 1 0 398.276 2.660 20 0 GFADRO [NH3+][C@@H](CNC(=O)Nc1cc(I)ccc1Cl)C1CC1 ZINC000415272476 563765089 /nfs/dbraw/zinc/76/50/89/563765089.db2.gz SWGOEBZQJDDHKX-JTQLQIEISA-N 1 0 379.629 2.803 20 0 GFADRO O=C(NC[C@H]1CCC[NH2+]1)Nc1ccc(Cl)cc1I ZINC000415279352 563765532 /nfs/dbraw/zinc/76/55/32/563765532.db2.gz CTSPGORYDLRKIA-SECBINFHSA-N 1 0 379.629 2.818 20 0 GFADRO O=C(Nc1ccc(Cl)cc1Br)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000415295636 563766259 /nfs/dbraw/zinc/76/62/59/563766259.db2.gz QLMFUSVJOXILKU-LBPRGKRZSA-N 1 0 387.709 2.614 20 0 GFADRO O=C(Nc1nnc(-c2ccc(Cl)cc2)s1)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O ZINC000364876265 563766752 /nfs/dbraw/zinc/76/67/52/563766752.db2.gz ANBHTHCVKWHKCN-YOGCLGLASA-N 1 0 376.869 2.612 20 0 GFADRO O=C(NC[C@@H]1CCC[NH2+]C1)C(=O)Nc1cccnc1-c1ccc(Cl)s1 ZINC000415321551 563767007 /nfs/dbraw/zinc/76/70/07/563767007.db2.gz ADOQOOZMAIPBHM-LLVKDONJSA-N 1 0 378.885 2.518 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2ccc(C(=O)OC)c(Cl)c2)C[C@H]1C ZINC000441993885 563767177 /nfs/dbraw/zinc/76/71/77/563767177.db2.gz UJYBBBKFEXDPAX-OLZOCXBDSA-N 1 0 388.917 2.620 20 0 GFADRO COC(=O)c1cc(Br)ccc1NC(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000415327301 563767419 /nfs/dbraw/zinc/76/74/19/563767419.db2.gz IDNNHJODFNGELT-CQSZACIVSA-N 1 0 384.274 2.875 20 0 GFADRO CCOC(=O)c1c(NC(=O)NCC[C@H]2CCC[NH2+]2)sc2c1CCSC2 ZINC000415331789 563767584 /nfs/dbraw/zinc/76/75/84/563767584.db2.gz HFKFRWKZOKZCDH-LLVKDONJSA-N 1 0 383.539 2.978 20 0 GFADRO C[C@H](CO)[N@@H+]1CCCN(Cc2coc(-c3ccc(Br)cc3)n2)CC1 ZINC000364900001 563767735 /nfs/dbraw/zinc/76/77/35/563767735.db2.gz XXLAWTGHFQZKFI-CQSZACIVSA-N 1 0 394.313 2.993 20 0 GFADRO COC[C@]1(CNC(=O)Nc2ccc(Br)c(Cl)c2)CCC[NH2+]1 ZINC000415335836 563768003 /nfs/dbraw/zinc/76/80/03/563768003.db2.gz ZKPJXYLTEUHCQQ-CQSZACIVSA-N 1 0 376.682 2.993 20 0 GFADRO C[C@H](NC(=O)C(=O)Nc1cc(Cl)ccc1C(F)(F)F)[C@@H]1CCC[NH2+]C1 ZINC000415343752 563768294 /nfs/dbraw/zinc/76/82/94/563768294.db2.gz CDQFKAGPGYARFP-VHSXEESVSA-N 1 0 377.794 2.802 20 0 GFADRO CCOc1c(Cl)cc(NC(=O)C(=O)N[C@H](C)[C@H]2CCC[NH2+]C2)cc1Cl ZINC000415346230 563768835 /nfs/dbraw/zinc/76/88/35/563768835.db2.gz GVEVPZLKWISPCC-MNOVXSKESA-N 1 0 388.295 2.835 20 0 GFADRO C[C@H](NC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1Cl)[C@@H]1CCC[NH2+]C1 ZINC000415348078 563768926 /nfs/dbraw/zinc/76/89/26/563768926.db2.gz KCQRUYHUDPWCGE-VHSXEESVSA-N 1 0 377.794 2.802 20 0 GFADRO CCOC(=O)c1cc(Br)ccc1NC(=O)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000415346615 563768929 /nfs/dbraw/zinc/76/89/29/563768929.db2.gz HPZTZJYSXDIYHK-PWSUYJOCSA-N 1 0 384.274 2.888 20 0 GFADRO CN(CC(C)(C)C[NH3+])C(=O)Nc1cccc(F)c1I ZINC000415363065 563770533 /nfs/dbraw/zinc/77/05/33/563770533.db2.gz PXYXCRXDJHNCFR-UHFFFAOYSA-N 1 0 379.217 2.879 20 0 GFADRO [NH3+]C[C@H]1CC[C@H](NC(=O)Nc2cccc(F)c2I)C1 ZINC000415359843 563770622 /nfs/dbraw/zinc/77/06/22/563770622.db2.gz LCJSEWXKEWNKRD-IUCAKERBSA-N 1 0 377.201 2.679 20 0 GFADRO C[NH2+][C@H]1CCCN(C(=O)Nc2cccc(F)c2I)C1 ZINC000415363105 563770766 /nfs/dbraw/zinc/77/07/66/563770766.db2.gz QFDUQFZZMAFUTB-VIFPVBQESA-N 1 0 377.201 2.646 20 0 GFADRO CC[NH2+]CCNC(=O)Nc1c(C)c(C)nn1-c1ccc(Br)cc1 ZINC000415374757 563771370 /nfs/dbraw/zinc/77/13/70/563771370.db2.gz ZFGHFQIAFLOFTR-UHFFFAOYSA-N 1 0 380.290 2.983 20 0 GFADRO Cc1cc(F)c(NC(=O)N2CC[NH2+][C@H](C)C2)c(I)c1 ZINC000415392712 563771990 /nfs/dbraw/zinc/77/19/90/563771990.db2.gz NZPLCIUFSDQOFR-SECBINFHSA-N 1 0 377.201 2.564 20 0 GFADRO C[NH2+][C@H]1CCCN(C(=O)C(=O)Nc2ccc(-c3ccc(Cl)s3)nc2)C1 ZINC000415382771 563772131 /nfs/dbraw/zinc/77/21/31/563772131.db2.gz WRICZGUWHJFXFI-LBPRGKRZSA-N 1 0 378.885 2.612 20 0 GFADRO CCCN(C(=O)C(=O)Nc1cc(C)c(Br)c(C)c1)[C@H]1CC[NH2+]C1 ZINC000415401527 563772471 /nfs/dbraw/zinc/77/24/71/563772471.db2.gz IPSCNYASHQKCPV-AWEZNQCLSA-N 1 0 382.302 2.605 20 0 GFADRO Cc1cc(F)c(NC(=O)N2C[C@@H](C[NH3+])C[C@H]2C)c(I)c1 ZINC000415396689 563772626 /nfs/dbraw/zinc/77/26/26/563772626.db2.gz UTFJYRDACDCMQP-NXEZZACHSA-N 1 0 391.228 2.940 20 0 GFADRO C[C@@H]([NH3+])C1CCN(C(=O)C(=O)Nc2cc(Cl)cc(C(F)(F)F)c2)CC1 ZINC000415393274 563772810 /nfs/dbraw/zinc/77/28/10/563772810.db2.gz YTWFEIAVDOYXGP-SECBINFHSA-N 1 0 377.794 2.883 20 0 GFADRO Cc1cc(F)c(NC(=O)N2CC[C@@H]([NH3+])[C@H]2C)c(I)c1 ZINC000415407896 563773001 /nfs/dbraw/zinc/77/30/01/563773001.db2.gz QZXBPSBZQFSCEX-LDYMZIIASA-N 1 0 377.201 2.692 20 0 GFADRO COc1cc(NC(=O)N[C@@H]2C[NH2+]CCC2(F)F)cc(OC)c1Br ZINC000415407641 563773093 /nfs/dbraw/zinc/77/30/93/563773093.db2.gz GHDMSPAHJGBOPX-LLVKDONJSA-N 1 0 394.216 2.585 20 0 GFADRO O=C(NCC[C@@H]1CCC[NH2+]C1)C(=O)Nc1ccc(Br)cc1Cl ZINC000415408366 563773148 /nfs/dbraw/zinc/77/31/48/563773148.db2.gz HCENUQOZNOEMSI-JTQLQIEISA-N 1 0 388.693 2.547 20 0 GFADRO O=C(NCC[C@H]1CCC[NH2+]C1)C(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000415404742 563773285 /nfs/dbraw/zinc/77/32/85/563773285.db2.gz BRHVDKVTECREMH-SNVBAGLBSA-N 1 0 377.794 2.803 20 0 GFADRO COCCOc1ccc(Br)cc1NC(=O)N(C)[C@@H](C[NH3+])C1CC1 ZINC000415423763 563774206 /nfs/dbraw/zinc/77/42/06/563774206.db2.gz HHVNHQKXVCJMIR-AWEZNQCLSA-N 1 0 386.290 2.675 20 0 GFADRO [NH3+]C[C@@H](NC(=O)C(=O)Nc1ccc(Br)c(F)c1)C1CCCCC1 ZINC000415423468 563774224 /nfs/dbraw/zinc/77/42/24/563774224.db2.gz GRBHURPHKNRTDU-CQSZACIVSA-N 1 0 386.265 2.551 20 0 GFADRO COCCOc1ccc(Br)cc1NC(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000415424337 563774430 /nfs/dbraw/zinc/77/44/30/563774430.db2.gz IIUIAJPSRZRAHS-AWEZNQCLSA-N 1 0 398.301 2.833 20 0 GFADRO CN1CC[NH+](C[C@@H]2CCCN(C(=O)c3ccc(Br)cc3F)C2)CC1 ZINC000365120591 563774875 /nfs/dbraw/zinc/77/48/75/563774875.db2.gz ZDRVOTNBQMJUBZ-AWEZNQCLSA-N 1 0 398.320 2.688 20 0 GFADRO COCCOc1ccc(Br)cc1NC(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000415425939 563774944 /nfs/dbraw/zinc/77/49/44/563774944.db2.gz MEEYCNMCKVGCND-CHWSQXEVSA-N 1 0 386.290 2.866 20 0 GFADRO COCCOc1ccc(Br)cc1NC(=O)N1C[C@@H](C)[NH2+]C[C@H]1C ZINC000415429630 563774948 /nfs/dbraw/zinc/77/49/48/563774948.db2.gz RUCCKGBKSSKQNG-VXGBXAGGSA-N 1 0 386.290 2.688 20 0 GFADRO COCCOc1ccc(Br)cc1NC(=O)N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000415429640 563774965 /nfs/dbraw/zinc/77/49/65/563774965.db2.gz RUOBMLHJDJTMEH-NWDGAFQWSA-N 1 0 386.290 2.675 20 0 GFADRO COCCOc1ccc(Br)cc1NC(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000415427924 563775126 /nfs/dbraw/zinc/77/51/26/563775126.db2.gz PJXOXRCPGSFQOZ-MRXNPFEDSA-N 1 0 386.290 2.677 20 0 GFADRO Cc1ccc(-c2csc(NC(=O)C(=O)N3CCC[C@@H]([C@H](C)[NH3+])C3)n2)s1 ZINC000415450663 563776295 /nfs/dbraw/zinc/77/62/95/563776295.db2.gz RXQLCJYKBCWXJF-NWDGAFQWSA-N 1 0 378.523 2.704 20 0 GFADRO CS(=O)(=O)c1ccc(NC(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])cc1C(F)F ZINC000415450232 563776430 /nfs/dbraw/zinc/77/64/30/563776430.db2.gz ZIMTXXZXPKPWNI-ZWNOBZJWSA-N 1 0 375.441 2.667 20 0 GFADRO CN1CC[NH+](C[C@H]2CCCN(c3ncc(Br)cc3Cl)C2)CC1 ZINC000365192487 563777074 /nfs/dbraw/zinc/77/70/74/563777074.db2.gz WYJGINTUVMCWMH-CYBMUJFWSA-N 1 0 387.753 2.961 20 0 GFADRO Cc1c(CC(=O)N(CC[NH+](C)C)Cc2ccc(Br)cc2)cnn1C ZINC000292186796 563777088 /nfs/dbraw/zinc/77/70/88/563777088.db2.gz HLOGZRBOLCKQQF-UHFFFAOYSA-N 1 0 393.329 2.624 20 0 GFADRO COC(=O)c1cc(Br)c(F)cc1NC(=O)N[C@@H]1CC[NH2+]C1(C)C ZINC000415467710 563777631 /nfs/dbraw/zinc/77/76/31/563777631.db2.gz IVUGLGZZIYWHGB-GFCCVEGCSA-N 1 0 388.237 2.637 20 0 GFADRO CC(C)[C@H]([NH3+])CNC(=O)C(=O)Nc1ccc(Br)c2ccccc12 ZINC000415466260 563777683 /nfs/dbraw/zinc/77/76/83/563777683.db2.gz TYJVDXONEYFXPK-CQSZACIVSA-N 1 0 378.270 2.640 20 0 GFADRO CS(=O)(=O)C[C@H]1CC[N@H+](CCC(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000292199585 563777773 /nfs/dbraw/zinc/77/77/73/563777773.db2.gz LRGFYZIYZIPZAM-NSHDSACASA-N 1 0 379.309 2.689 20 0 GFADRO C[C@@H]1CN(C[C@H]2CCS(=O)(=O)C2)C[C@@H](c2cccc(C(F)(F)F)c2)O1 ZINC000292211089 563778510 /nfs/dbraw/zinc/77/85/10/563778510.db2.gz MLJDSSKPGFHKGX-IOASZLSFSA-N 1 0 377.428 2.902 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)Nc1cc(Br)cnc1-n1cccn1 ZINC000415490195 563779104 /nfs/dbraw/zinc/77/91/04/563779104.db2.gz VORLVLJGSPNGQX-SMDDNHRTSA-N 1 0 393.289 2.763 20 0 GFADRO CC(C)C[C@@](C)(C[NH3+])NC(=O)Nc1cc(Br)cnc1-n1cccn1 ZINC000415486358 563779110 /nfs/dbraw/zinc/77/91/10/563779110.db2.gz PZHHGHOYLGGLGL-INIZCTEOSA-N 1 0 395.305 2.915 20 0 GFADRO CCCC[C@H](C[NH3+])NC(=O)C(=O)Nc1cc(F)c(Br)c(Cl)c1 ZINC000415501500 563779403 /nfs/dbraw/zinc/77/94/03/563779403.db2.gz RKTQGMYIIFDLKW-MRVPVSSYSA-N 1 0 394.672 2.814 20 0 GFADRO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)Nc1cccnc1-c1ccc(Cl)s1 ZINC000415505781 563780292 /nfs/dbraw/zinc/78/02/92/563780292.db2.gz ZKAYVADSRWKBRZ-NSHDSACASA-N 1 0 378.885 2.612 20 0 GFADRO C[C@H]1CN(C(=O)Nc2ccnn2Cc2ccccc2Br)CC[C@H]1[NH3+] ZINC000415520651 563781308 /nfs/dbraw/zinc/78/13/08/563781308.db2.gz IWAOMYPOXLVVTC-SWLSCSKDSA-N 1 0 392.301 2.895 20 0 GFADRO COC1(C[C@H](C)[NH2+]CCNS(=O)(=O)c2ccc(Cl)cc2F)CCC1 ZINC000442857077 563781971 /nfs/dbraw/zinc/78/19/71/563781971.db2.gz DZNLRMHNKQHYPM-LBPRGKRZSA-N 1 0 378.897 2.695 20 0 GFADRO C[NH+](C)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2Br)CC1 ZINC000365406507 563782382 /nfs/dbraw/zinc/78/23/82/563782382.db2.gz SCEDQXPUTPMKOB-LBPRGKRZSA-N 1 0 379.295 2.693 20 0 GFADRO C[C@@H](C[NH3+])N(C)C(=O)Nc1nc2ccc(I)cc2s1 ZINC000415527628 563782655 /nfs/dbraw/zinc/78/26/55/563782655.db2.gz JYXSZLZFHIANIQ-ZETCQYMHSA-N 1 0 390.250 2.712 20 0 GFADRO C[C@H]([NH2+]CCOc1cccc(S(C)(=O)=O)c1)[C@H]1OCCc2sccc21 ZINC000292320826 563782781 /nfs/dbraw/zinc/78/27/81/563782781.db2.gz FJBNRPSGGIIDNM-SCLBCKFNSA-N 1 0 381.519 2.823 20 0 GFADRO CN(C)C(=O)CC[N@H+](C)Cc1cccc(Br)c1OC[C@H]1CCCO1 ZINC000442888118 563782823 /nfs/dbraw/zinc/78/28/23/563782823.db2.gz DVWVIIPQYAZHPO-OAHLLOKOSA-N 1 0 399.329 2.917 20 0 GFADRO C[C@@H]1CN(C(=O)Nc2ccnn2Cc2ccc(Br)cc2)[C@H](C)C[NH2+]1 ZINC000415531736 563783243 /nfs/dbraw/zinc/78/32/43/563783243.db2.gz PWKUYUOELVLKIG-CHWSQXEVSA-N 1 0 392.301 2.908 20 0 GFADRO Cc1cc(Br)cc(NC(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])c1 ZINC000415529935 563783336 /nfs/dbraw/zinc/78/33/36/563783336.db2.gz NWOGNUPJFWWDHS-HNNXBMFYSA-N 1 0 397.317 2.609 20 0 GFADRO C[NH2+][C@@H]1CCN(C(=O)Nc2ccnn2Cc2ccc(Br)cc2)C1 ZINC000415537237 563783849 /nfs/dbraw/zinc/78/38/49/563783849.db2.gz ZKUQHAGTMSOTRA-CQSZACIVSA-N 1 0 378.274 2.520 20 0 GFADRO C[C@@H]1CN(C(=O)Nc2ccnn2Cc2ccc(Br)cc2)C[C@H]1[NH3+] ZINC000415536566 563783861 /nfs/dbraw/zinc/78/38/61/563783861.db2.gz YOVQRZLUILZYBG-BXUZGUMPSA-N 1 0 378.274 2.505 20 0 GFADRO O=C(Nc1ccnn1Cc1ccc(Br)cc1)N[C@H]1CCC[NH2+]C1 ZINC000415537309 563783887 /nfs/dbraw/zinc/78/38/87/563783887.db2.gz ZVQMVNRDCFICEY-AWEZNQCLSA-N 1 0 378.274 2.567 20 0 GFADRO C[C@]1(CNC(=O)C(=O)Nc2ccc(Br)cc2Cl)CCC[NH2+]C1 ZINC000415573828 563785307 /nfs/dbraw/zinc/78/53/07/563785307.db2.gz CNKDUXODPXVRQO-HNNXBMFYSA-N 1 0 388.693 2.547 20 0 GFADRO COc1ccc(NC(=O)N2CCCC[C@H]2C[NH3+])c(I)c1 ZINC000415592098 563785653 /nfs/dbraw/zinc/78/56/53/563785653.db2.gz DHUFZBHZFYSOLS-JTQLQIEISA-N 1 0 389.237 2.645 20 0 GFADRO COc1ccc(NC(=O)N2CCCC[C@@H]2C[NH3+])c(I)c1 ZINC000415592099 563785775 /nfs/dbraw/zinc/78/57/75/563785775.db2.gz DHUFZBHZFYSOLS-SNVBAGLBSA-N 1 0 389.237 2.645 20 0 GFADRO COC(=O)c1c(Br)ccc(NC(=O)N[C@@H]2CC[NH2+][C@H](C)C2)c1C ZINC000415597338 563786220 /nfs/dbraw/zinc/78/62/20/563786220.db2.gz JGVAAQYOBNVSCJ-MWLCHTKSSA-N 1 0 384.274 2.806 20 0 GFADRO COC(=O)c1cccc(NC(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1Br ZINC000415595180 563786310 /nfs/dbraw/zinc/78/63/10/563786310.db2.gz ANNNMDMDLRLVLH-GRYCIOLGSA-N 1 0 396.285 2.745 20 0 GFADRO COC(=O)c1cc(NC(=O)N2CCC(C[NH3+])CC2)cc(Br)c1F ZINC000415595985 563786445 /nfs/dbraw/zinc/78/64/45/563786445.db2.gz BWHQOLMIMBRSHT-UHFFFAOYSA-N 1 0 388.237 2.577 20 0 GFADRO COc1ccc(NC(=O)N[C@H](C[NH3+])C(C)(C)C)c(I)c1 ZINC000415599834 563787020 /nfs/dbraw/zinc/78/70/20/563787020.db2.gz RVCHOCLDKOHLMW-GFCCVEGCSA-N 1 0 391.253 2.795 20 0 GFADRO COC(=O)c1cccc(NC(=O)N2CCC[C@H](C)[C@@H]2C[NH3+])c1Br ZINC000415608647 563787478 /nfs/dbraw/zinc/78/74/78/563787478.db2.gz LYCNFUXJFAOMLZ-GWCFXTLKSA-N 1 0 384.274 2.827 20 0 GFADRO COC(=O)c1cccc(NC(=O)N2CC[C@H](C)C[C@H]2C[NH3+])c1Br ZINC000415617597 563788049 /nfs/dbraw/zinc/78/80/49/563788049.db2.gz VIZOAKPEQWAPLN-QWRGUYRKSA-N 1 0 384.274 2.827 20 0 GFADRO COC(=O)c1cc(NC(=O)N2CCCC[C@@H]2C[NH3+])cc(Br)c1F ZINC000415613631 563788211 /nfs/dbraw/zinc/78/82/11/563788211.db2.gz NOULRUZZYUBHLD-SNVBAGLBSA-N 1 0 388.237 2.720 20 0 GFADRO COC(=O)c1cccc(NC(=O)N(C2CC2)[C@H]2CC[NH2+]C2)c1Br ZINC000415614598 563788264 /nfs/dbraw/zinc/78/82/64/563788264.db2.gz PKZCNIBDSVZRAM-NSHDSACASA-N 1 0 382.258 2.594 20 0 GFADRO COC(=O)c1cc(F)c(Br)cc1NC(=O)N1C[C@@H](C[NH3+])C[C@H]1C ZINC000415632058 563789249 /nfs/dbraw/zinc/78/92/49/563789249.db2.gz QCGYCGWPFHVKQF-RKDXNWHRSA-N 1 0 388.237 2.576 20 0 GFADRO COC(=O)c1cc(F)c(Br)cc1NC(=O)N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000415632217 563789367 /nfs/dbraw/zinc/78/93/67/563789367.db2.gz SLJURQGGJIRIAT-PELKAZGASA-N 1 0 388.237 2.576 20 0 GFADRO C[NH2+]C[C@H]1CCCN1C(=O)Nc1cc(Br)c(F)cc1C(=O)OC ZINC000415632898 563789381 /nfs/dbraw/zinc/78/93/81/563789381.db2.gz YFAWEEPLXBADBI-SECBINFHSA-N 1 0 388.237 2.591 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C[N@@H+]1CC[C@H]2C(=O)NC[C@@H]2C1 ZINC000365655046 563789932 /nfs/dbraw/zinc/78/99/32/563789932.db2.gz UBUHHWYELVHMGF-CXAGYDPISA-N 1 0 389.297 2.511 20 0 GFADRO O=C(Cc1cc[nH]c(=O)c1Br)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000365674698 563790701 /nfs/dbraw/zinc/79/07/01/563790701.db2.gz IXZKMFDQLXSWSL-UKRRQHHQSA-N 1 0 394.313 2.568 20 0 GFADRO Cc1cc(Cl)cc(NC(=O)C(=O)N[C@@H]2CC[NH2+][C@@H](C)C2)c1Br ZINC000415665205 563790759 /nfs/dbraw/zinc/79/07/59/563790759.db2.gz UGSAZIIZFFUMQX-GXSJLCMTSA-N 1 0 388.693 2.606 20 0 GFADRO [NH3+][C@H]1CCC[C@@H](NC(=O)C(=O)Nc2cccnc2-c2ccc(Cl)s2)C1 ZINC000415652409 563790889 /nfs/dbraw/zinc/79/08/89/563790889.db2.gz RGCNDOMSARZNRB-WDEREUQCSA-N 1 0 378.885 2.788 20 0 GFADRO O=C1[C@H]([NH2+]Cc2c[nH]c3nccnc23)CCN1c1cccc(Br)c1 ZINC000365660675 563790932 /nfs/dbraw/zinc/79/09/32/563790932.db2.gz HHUUBAPWOMIYHL-CQSZACIVSA-N 1 0 386.253 2.567 20 0 GFADRO C[C@@]1(C[NH3+])CCN(C(=O)C(=O)Nc2cccc(Cl)c2SCC(F)F)C1 ZINC000415682048 563791334 /nfs/dbraw/zinc/79/13/34/563791334.db2.gz ATCAQXJTQOJILU-INIZCTEOSA-N 1 0 391.871 2.833 20 0 GFADRO Cc1cc(Br)cc(NC(=O)C(=O)NC[C@H]2[NH2+]CCCC2(C)C)c1 ZINC000415680331 563791546 /nfs/dbraw/zinc/79/15/46/563791546.db2.gz ULVJHDBCSHMNCT-CQSZACIVSA-N 1 0 382.302 2.590 20 0 GFADRO COC(=O)c1ccc(Cl)cc1S(=O)(=O)NC[C@@H](C)[N@@H+]1CCCC[C@H]1C ZINC000443103219 563792041 /nfs/dbraw/zinc/79/20/41/563792041.db2.gz KIPPNCXEWSQIHT-CHWSQXEVSA-N 1 0 388.917 2.668 20 0 GFADRO CO[C@H]1CCN(C(=O)Nc2ccc(Cl)cc2OCC(F)F)[C@H](C[NH3+])C1 ZINC000415731282 563793215 /nfs/dbraw/zinc/79/32/15/563793215.db2.gz VAXAXVROZVFYMD-RYUDHWBXSA-N 1 0 377.819 2.954 20 0 GFADRO CO[C@H]1CCN(C(=O)Nc2ccc(Cl)cc2OCC(F)F)[C@@H](C[NH3+])C1 ZINC000415731279 563793380 /nfs/dbraw/zinc/79/33/80/563793380.db2.gz VAXAXVROZVFYMD-NEPJUHHUSA-N 1 0 377.819 2.954 20 0 GFADRO COC(=O)c1cc(NC(=O)N2C[C@H](C)[NH2+]C[C@H]2C)c(C)cc1Br ZINC000415713839 563793421 /nfs/dbraw/zinc/79/34/21/563793421.db2.gz XIZVIFKJSAAJBM-WDEREUQCSA-N 1 0 384.274 2.758 20 0 GFADRO O=C([C@H]1CCN(c2cc(Cl)ccc2Cl)C1=O)N1CCn2cncc2C1 ZINC000365794820 563793595 /nfs/dbraw/zinc/79/35/95/563793595.db2.gz KFBGANYAKSQVPF-CYBMUJFWSA-N 1 0 379.247 2.585 20 0 GFADRO Cc1nnc(CN[C@H](CO)c2ccc(Br)cc2C(F)(F)F)[nH]1 ZINC000292745283 563794173 /nfs/dbraw/zinc/79/41/73/563794173.db2.gz HDZXEPNPHOPCQL-LLVKDONJSA-N 1 0 379.180 2.718 20 0 GFADRO CC(C)(CCC[NH3+])NC(=O)C(=O)Nc1ccc(Cl)c(Br)c1 ZINC000415757579 563794297 /nfs/dbraw/zinc/79/42/97/563794297.db2.gz JGKRHWSIHLOOKL-UHFFFAOYSA-N 1 0 376.682 2.675 20 0 GFADRO C[C@@]1(CNC(=O)Nc2ccn(-c3ccc(Br)cc3)n2)CCC[NH2+]C1 ZINC000415752020 563794437 /nfs/dbraw/zinc/79/44/37/563794437.db2.gz COAHEQFGVMEXSL-QGZVFWFLSA-N 1 0 392.301 3.146 20 0 GFADRO O[C@H](COCC(F)(F)F)CN1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000292738463 563794748 /nfs/dbraw/zinc/79/47/48/563794748.db2.gz VVRRHJGWYXOHMZ-KBPBESRZSA-N 1 0 398.219 2.762 20 0 GFADRO C[C@@H](CCC[NH3+])NC(=O)C(=O)Nc1ccc(Br)c2ccccc12 ZINC000415760664 563795065 /nfs/dbraw/zinc/79/50/65/563795065.db2.gz MICNAUYBCARNIE-NSHDSACASA-N 1 0 378.270 2.784 20 0 GFADRO Cc1csc(Sc2ccc(NC(=O)C(=O)N[C@H](C)CCC[NH3+])cc2)n1 ZINC000415762415 563795255 /nfs/dbraw/zinc/79/52/55/563795255.db2.gz OWIYTQGOTAHSFE-LLVKDONJSA-N 1 0 378.523 2.785 20 0 GFADRO CC(C)(CCC[NH3+])NC(=O)C(=O)Nc1cccc(Br)c1Cl ZINC000415766620 563795613 /nfs/dbraw/zinc/79/56/13/563795613.db2.gz WGARWNOWCUWVCQ-UHFFFAOYSA-N 1 0 376.682 2.675 20 0 GFADRO C[C@@H](CCC[NH3+])NC(=O)C(=O)Nc1cc(Br)cc(C(F)(F)F)c1 ZINC000415767424 563795617 /nfs/dbraw/zinc/79/56/17/563795617.db2.gz YMMARHXWRASOSN-QMMMGPOBSA-N 1 0 396.207 2.650 20 0 GFADRO CC(C)Sc1ccc(Cl)cc1NC(=O)C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000415770422 563795699 /nfs/dbraw/zinc/79/56/99/563795699.db2.gz QKBNSTAZSJFCLY-OCCSQVGLSA-N 1 0 381.929 2.989 20 0 GFADRO CC(C)Sc1ccc(Cl)cc1NC(=O)C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000415770421 563795734 /nfs/dbraw/zinc/79/57/34/563795734.db2.gz QKBNSTAZSJFCLY-JSGCOSHPSA-N 1 0 381.929 2.989 20 0 GFADRO Cc1ccc(-c2csc(NC(=O)C(=O)NC[C@H]3CCC[C@H]([NH3+])C3)n2)s1 ZINC000415814138 563797630 /nfs/dbraw/zinc/79/76/30/563797630.db2.gz QXUAWJGDFDTYIE-RYUDHWBXSA-N 1 0 378.523 2.752 20 0 GFADRO [NH3+][C@@H]1CCC[C@H](CNC(=O)C(=O)Nc2ccc(Cl)cc2OC(F)F)C1 ZINC000415808523 563797652 /nfs/dbraw/zinc/79/76/52/563797652.db2.gz MFYNXNZAOKFROT-GXSJLCMTSA-N 1 0 375.803 2.514 20 0 GFADRO [NH3+][C@H]1CCC[C@@H](CNC(=O)C(=O)Nc2ccc(Br)cc2Cl)C1 ZINC000415813593 563797709 /nfs/dbraw/zinc/79/77/09/563797709.db2.gz QIMUMTYSPPMELP-KOLCDFICSA-N 1 0 388.693 2.675 20 0 GFADRO O=C(NCCC[C@@H]1CCC[NH2+]1)C(=O)Nc1ccc(Cl)c(OC(F)F)c1 ZINC000415810582 563797770 /nfs/dbraw/zinc/79/77/70/563797770.db2.gz XMYWLWCMEUEAGM-JTQLQIEISA-N 1 0 375.803 2.528 20 0 GFADRO O=C(Cc1cscc1Br)NCC1([NH+]2CCCC2)CCOCC1 ZINC000293030939 563798691 /nfs/dbraw/zinc/79/86/91/563798691.db2.gz IWSYBSYFPHJCRR-UHFFFAOYSA-N 1 0 387.343 2.814 20 0 GFADRO CC(C)c1cc(Br)ccc1NC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000415863765 563799765 /nfs/dbraw/zinc/79/97/65/563799765.db2.gz GXELOAZJRAGGJS-STQMWFEESA-N 1 0 394.313 2.579 20 0 GFADRO C[C@H]1CCN(C(=O)C(=O)Nc2ccc(C(F)(F)F)cc2Cl)C[C@H]1C[NH3+] ZINC000415855774 563799788 /nfs/dbraw/zinc/79/97/88/563799788.db2.gz YZVXZAXPADDQEV-VHSXEESVSA-N 1 0 377.794 2.741 20 0 GFADRO Cc1cc(NC(=O)C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)cc(C)c1Br ZINC000415863857 563799793 /nfs/dbraw/zinc/79/97/93/563799793.db2.gz BMWXYDRGBXINSH-BFHYXJOUSA-N 1 0 394.313 2.509 20 0 GFADRO O=C(NCCC1=CC[NH2+]CC1)C(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000415882852 563800149 /nfs/dbraw/zinc/80/01/49/563800149.db2.gz XJHXKABUDCLGQR-UHFFFAOYSA-N 1 0 375.778 2.723 20 0 GFADRO [NH3+]CCOc1ccc(NC(=O)NCCOc2ncc(Cl)cc2Cl)cc1 ZINC000415944144 563800861 /nfs/dbraw/zinc/80/08/61/563800861.db2.gz HMHKATMMWJKBLP-UHFFFAOYSA-N 1 0 385.251 2.926 20 0 GFADRO C[C@@H]([NH2+]CC(=O)NC(=O)NCc1ccco1)c1ccc(Br)s1 ZINC000443331471 563801002 /nfs/dbraw/zinc/80/10/02/563801002.db2.gz VTOJNQPOVIAFOL-SECBINFHSA-N 1 0 386.271 2.780 20 0 GFADRO C[NH+](C)[C@H]1CCCN(C(=O)c2ccn(-c3ccc(Br)cc3)n2)C1 ZINC000293114540 563801186 /nfs/dbraw/zinc/80/11/86/563801186.db2.gz LYFSXMMIQDJINN-HNNXBMFYSA-N 1 0 377.286 2.801 20 0 GFADRO CC[C@H](C)[C@H](NC(=O)C[NH2+][C@H](C)c1ccc(Br)s1)C(=O)OC ZINC000443337648 563801592 /nfs/dbraw/zinc/80/15/92/563801592.db2.gz VLRKDEMIRUCKOI-RBZYPMLTSA-N 1 0 391.331 2.865 20 0 GFADRO C[C@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1CC(=O)N(C)Cc1ccccc1Br ZINC000443340649 563801973 /nfs/dbraw/zinc/80/19/73/563801973.db2.gz AZDRFFKQYHBUAB-KEYYUXOJSA-N 1 0 383.330 2.889 20 0 GFADRO [NH3+]CC[C@@H](NC(=O)N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1)C(F)(F)F ZINC000416006117 563802099 /nfs/dbraw/zinc/80/20/99/563802099.db2.gz KRSROLXFEOCRBV-TVQRCGJNSA-N 1 0 382.789 2.637 20 0 GFADRO [NH3+]CC[C@H](NC(=O)N[C@@H](CCO)c1ccc(Cl)c(Cl)c1)C(F)(F)F ZINC000416051955 563804562 /nfs/dbraw/zinc/80/45/62/563804562.db2.gz UAUKHDXHXIDRKL-RYUDHWBXSA-N 1 0 388.217 2.996 20 0 GFADRO CC[N@@H+]1CC[C@H]2OCCN(Cc3ccc(OC)c(OC)c3Br)[C@H]2C1 ZINC000293276068 563806593 /nfs/dbraw/zinc/80/65/93/563806593.db2.gz NWOIMXYETIKIAJ-LSDHHAIUSA-N 1 0 399.329 2.761 20 0 GFADRO Cc1nc(SC(F)F)sc1CC(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000366375875 563807046 /nfs/dbraw/zinc/80/70/46/563807046.db2.gz PGXILSLTINKODD-LBPRGKRZSA-N 1 0 391.509 2.678 20 0 GFADRO O=C(c1cc(-c2ccc(Br)cc2)n[nH]1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000293392664 563810835 /nfs/dbraw/zinc/81/08/35/563810835.db2.gz MANMDXSFXDZUHJ-OCCSQVGLSA-N 1 0 375.270 2.663 20 0 GFADRO CC1CC[NH+](C2CCC(NS(=O)(=O)c3cc(Cl)cnc3N)CC2)CC1 ZINC000443735483 563811102 /nfs/dbraw/zinc/81/11/02/563811102.db2.gz UKZKLWCPKLEBOM-UHFFFAOYSA-N 1 0 386.949 2.639 20 0 GFADRO C[NH+](C)C1(CNC(=O)[C@H](c2cc(Cl)cc(Cl)c2)N2CCOCC2)CC1 ZINC000416306480 563814859 /nfs/dbraw/zinc/81/48/59/563814859.db2.gz FZNRQTVKWCVNAH-INIZCTEOSA-N 1 0 386.323 2.577 20 0 GFADRO C[NH+](C)C1(CNC(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000416305110 563814973 /nfs/dbraw/zinc/81/49/73/563814973.db2.gz WFWFYNBEJAQQFN-HNNXBMFYSA-N 1 0 384.307 2.808 20 0 GFADRO C[N@@H+]1CC[C@@]2(CCN(C(=O)Nc3ccc([S@](=O)C(F)(F)F)cc3)C2)C1 ZINC000366603046 563815016 /nfs/dbraw/zinc/81/50/16/563815016.db2.gz PBLPFMYQIMWLAG-BZQUYTCOSA-N 1 0 375.416 2.874 20 0 GFADRO C[C@H](CC(=O)N1C[C@H](C)[N@H+](CCO)C[C@H]1C)c1ccc(Br)cc1 ZINC000416320041 563816092 /nfs/dbraw/zinc/81/60/92/563816092.db2.gz ZCULJFFHVANOFG-QLFBSQMISA-N 1 0 383.330 2.856 20 0 GFADRO C[C@H]1C[C@@H](NC(=O)c2nn(C)cc2Br)C[N@@H+]1Cc1ccccc1 ZINC000293519136 563816661 /nfs/dbraw/zinc/81/66/61/563816661.db2.gz XWGRSFIWLPAMOU-GXTWGEPZSA-N 1 0 377.286 2.575 20 0 GFADRO CSCc1cnc(C[NH2+]CC[C@@](O)(c2nccn2C)C(F)(F)F)s1 ZINC000293522733 563816787 /nfs/dbraw/zinc/81/67/87/563816787.db2.gz ITGNTNOPZSPEQP-CYBMUJFWSA-N 1 0 380.461 2.669 20 0 GFADRO C[NH+]1CCC(n2ccc(NCc3cnc4ccc(Br)cn34)n2)CC1 ZINC000366742691 563818265 /nfs/dbraw/zinc/81/82/65/563818265.db2.gz DKPJLOGCQUFACK-UHFFFAOYSA-N 1 0 389.301 3.172 20 0 GFADRO COC(=O)c1c(Cl)cccc1S(=O)(=O)N(C)C1CC[NH+](C(C)C)CC1 ZINC000416370070 563818443 /nfs/dbraw/zinc/81/84/43/563818443.db2.gz GSPDJOOHWQLHFI-UHFFFAOYSA-N 1 0 388.917 2.620 20 0 GFADRO Cc1cc(Br)cc(S(=O)(=O)NCC[N@@H+](C)C2CCCC2)c1 ZINC000444068065 563819769 /nfs/dbraw/zinc/81/97/69/563819769.db2.gz BFVHEQKLUMCEHY-UHFFFAOYSA-N 1 0 375.332 2.910 20 0 GFADRO O=C1CO[C@@H]2CC[N@@H+](CCSc3ccnc4cc(Cl)ccc43)C[C@H]2N1 ZINC000366791466 563820144 /nfs/dbraw/zinc/82/01/44/563820144.db2.gz RGPMKNIBOARRTL-HZPDHXFCSA-N 1 0 377.897 2.570 20 0 GFADRO O=C1CO[C@H]2CC[N@@H+](CCSc3ccnc4cc(Cl)ccc43)C[C@H]2N1 ZINC000366791464 563820340 /nfs/dbraw/zinc/82/03/40/563820340.db2.gz RGPMKNIBOARRTL-CVEARBPZSA-N 1 0 377.897 2.570 20 0 GFADRO Cc1cc(Br)cc(S(=O)(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)c1 ZINC000444079423 563820511 /nfs/dbraw/zinc/82/05/11/563820511.db2.gz VYGRJSNXTQZINK-UONOGXRCSA-N 1 0 375.332 2.909 20 0 GFADRO Cn1ncnc1C[NH2+]C1(Cc2ccc(F)cc2Br)CCOCC1 ZINC000293679811 563820891 /nfs/dbraw/zinc/82/08/91/563820891.db2.gz VJXSJSOHKAYPTC-UHFFFAOYSA-N 1 0 383.265 2.598 20 0 GFADRO COC(=O)c1c(Cl)cccc1S(=O)(=O)NCC[NH+]1[C@H](C)CCC[C@H]1C ZINC000416384138 563821260 /nfs/dbraw/zinc/82/12/60/563821260.db2.gz HBLJDFCRDFQKDP-CHWSQXEVSA-N 1 0 388.917 2.668 20 0 GFADRO O=C(c1csc(I)c1)N1CCC[C@H]2C[NH2+]CCC[C@H]21 ZINC000366877798 563822891 /nfs/dbraw/zinc/82/28/91/563822891.db2.gz ZZGCLQJVNOJTFG-CMPLNLGQSA-N 1 0 390.290 2.957 20 0 GFADRO CCC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2cc(Cl)c(OC)cc2OC)C1 ZINC000416410849 563824417 /nfs/dbraw/zinc/82/44/17/563824417.db2.gz HPNPNLUWEMRKQM-ZDUSSCGKSA-N 1 0 390.933 2.710 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2cc(Cl)c(OC)cc2OC)[C@@H](C)C1 ZINC000416409937 563824581 /nfs/dbraw/zinc/82/45/81/563824581.db2.gz WHGIHSKVAKUXIB-JSGCOSHPSA-N 1 0 390.933 2.708 20 0 GFADRO C[C@H]1C[C@H](NC(=O)c2cnc3ccc(Br)cc3c2O)CC[N@@H+]1C ZINC000444259013 563825512 /nfs/dbraw/zinc/82/55/12/563825512.db2.gz JGJILPUJLRGFNG-CMPLNLGQSA-N 1 0 378.270 2.503 20 0 GFADRO C[NH+](C)CCN1CCCN(C(=O)c2c[nH]c3cccc(Br)c23)CC1 ZINC000367047013 563828929 /nfs/dbraw/zinc/82/89/29/563828929.db2.gz ZWHIPUCJHSPGNZ-UHFFFAOYSA-N 1 0 393.329 2.640 20 0 GFADRO O=C(c1c[nH]c2cccc(Br)c12)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000367060216 563829131 /nfs/dbraw/zinc/82/91/31/563829131.db2.gz OTOUBLANVFIEIT-JKSUJKDBSA-N 1 0 392.297 2.602 20 0 GFADRO C[NH+]1CCC(CNC(=O)N[C@H]2CCOc3c(Br)cccc32)CC1 ZINC000367111794 563831213 /nfs/dbraw/zinc/83/12/13/563831213.db2.gz BOHFLTDBOHJMLX-HNNXBMFYSA-N 1 0 382.302 2.914 20 0 GFADRO COc1cc(OC)c(S(=O)(=O)N[C@@H](C)C[NH+]2CCCCC2)cc1Cl ZINC000416470634 563833532 /nfs/dbraw/zinc/83/35/32/563833532.db2.gz HZRWWBJCKSLZFQ-LBPRGKRZSA-N 1 0 376.906 2.510 20 0 GFADRO COc1cc(OC)c(S(=O)(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)cc1Cl ZINC000416472913 563834280 /nfs/dbraw/zinc/83/42/80/563834280.db2.gz BSWPSUUIUOYGGF-MRXNPFEDSA-N 1 0 390.933 2.756 20 0 GFADRO CCO[C@@H]1C[C@](CO)([NH2+]CC(=O)Nc2ccc(Br)c(C)c2)C1(C)C ZINC000444791889 563837466 /nfs/dbraw/zinc/83/74/66/563837466.db2.gz MDPCMNQJDSTWLS-CRAIPNDOSA-N 1 0 399.329 2.852 20 0 GFADRO FC(F)(F)c1nc(NC2CC[NH+]([C@H]3CCOC3)CC2)ccc1Br ZINC000367265435 563838602 /nfs/dbraw/zinc/83/86/02/563838602.db2.gz WRPYAJCJWWUJKB-NSHDSACASA-N 1 0 394.235 3.528 20 0 GFADRO CCCS(=O)(=O)N1CCC([NH+]2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC000416502444 563840087 /nfs/dbraw/zinc/84/00/87/563840087.db2.gz MBXJUYLUEKKOHG-UHFFFAOYSA-N 1 0 385.961 2.666 20 0 GFADRO COC(=O)CC[C@H]([NH3+])C(=O)N1CCc2[nH]c3c(cc(Cl)cc3Cl)c2C1 ZINC000367307541 563840831 /nfs/dbraw/zinc/84/08/31/563840831.db2.gz IZYGWZIYYCMTSJ-ZDUSSCGKSA-N 1 0 384.263 2.640 20 0 GFADRO O=C1[C@@H]([NH2+][C@H]2CCC(=O)N[C@H]2C2CC2)CCN1c1ccc(Cl)cc1Cl ZINC000367375259 563842292 /nfs/dbraw/zinc/84/22/92/563842292.db2.gz QSIYVUHAVRAVTG-ZQIUZPCESA-N 1 0 382.291 2.746 20 0 GFADRO O=S(=O)(NCC1CC[NH+](C2CC2)CC1)c1ccc(F)cc1Br ZINC000445080302 563843060 /nfs/dbraw/zinc/84/30/60/563843060.db2.gz YACHBSDIYOVQSA-UHFFFAOYSA-N 1 0 391.306 2.741 20 0 GFADRO COC(=O)c1ccc(C[N@@H+]2CCCC[C@H]2[C@H]2CNC(=O)C2)c(Br)c1 ZINC000367439090 563844791 /nfs/dbraw/zinc/84/47/91/563844791.db2.gz RJRDVONTASIXAJ-ZBFHGGJFSA-N 1 0 395.297 2.726 20 0 GFADRO COC(=O)c1ccc(C[N@@H+]2CCCC[C@H]2[C@@H]2CNC(=O)C2)c(Br)c1 ZINC000367439089 563844810 /nfs/dbraw/zinc/84/48/10/563844810.db2.gz RJRDVONTASIXAJ-HOCLYGCPSA-N 1 0 395.297 2.726 20 0 GFADRO C[C@@H]([NH2+]C1CCN(S(=O)(=O)c2cccs2)CC1)c1c(F)cncc1F ZINC000367690868 563852389 /nfs/dbraw/zinc/85/23/89/563852389.db2.gz SWJOLCNBIJKXOU-LLVKDONJSA-N 1 0 387.477 2.925 20 0 GFADRO COc1ccc(C(=O)N2CCC[C@@H]([NH+]3CCCCC3)C2)nc1Br ZINC000367862553 563857906 /nfs/dbraw/zinc/85/79/06/563857906.db2.gz VJLLCAVMDGWELR-CYBMUJFWSA-N 1 0 382.302 2.943 20 0 GFADRO CN(C(C)(C)C[NH+]1CCCC1)S(=O)(=O)c1ccccc1Br ZINC000416657124 563858684 /nfs/dbraw/zinc/85/86/84/563858684.db2.gz DFPKAVBLCATKMD-UHFFFAOYSA-N 1 0 375.332 2.944 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000416835421 563861833 /nfs/dbraw/zinc/86/18/33/563861833.db2.gz TXVBDKKPWLOTKZ-AWEZNQCLSA-N 1 0 397.317 2.527 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000416830203 563862051 /nfs/dbraw/zinc/86/20/51/563862051.db2.gz ODYGSWNBIQLZQU-JSGCOSHPSA-N 1 0 397.317 2.513 20 0 GFADRO COc1ccc([C@H](C)NC(=O)N[C@H](CC[NH3+])C(F)F)cc1Br ZINC000416886697 563862292 /nfs/dbraw/zinc/86/22/92/563862292.db2.gz HCLWHHPWNBARLA-GZMMTYOYSA-N 1 0 380.233 2.800 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ccc(Br)c(Cl)c2)CC[N@@H+]1C ZINC000446741191 563868022 /nfs/dbraw/zinc/86/80/22/563868022.db2.gz KSWBBFDRGNQNKD-KOLCDFICSA-N 1 0 388.693 2.640 20 0 GFADRO COCC[N@@H+]1CC[C@H](NCc2ccc(Cl)cc2I)C1 ZINC000446849755 563869218 /nfs/dbraw/zinc/86/92/18/563869218.db2.gz QIOPEURMAMSWMQ-ZDUSSCGKSA-N 1 0 394.684 2.755 20 0 GFADRO C[C@H](NC(=O)N[C@@H]1CC[NH2+]C[C@@H]1C)c1cc2c(cc1Br)OCCO2 ZINC000417173122 563870073 /nfs/dbraw/zinc/87/00/73/563870073.db2.gz GVNKQYHLDCPCPV-COPLHBTASA-N 1 0 398.301 2.579 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2S(=O)(=O)c1cc(Cl)sc1Cl ZINC000446937182 563870497 /nfs/dbraw/zinc/87/04/97/563870497.db2.gz QRPSAHKVHHKOAI-MXWKQRLJSA-N 1 0 399.365 2.927 20 0 GFADRO COc1ccc(CN2CCN([C@@H]3CCC[N@H+](C)C3)CC2)cc1Br ZINC000368443731 563871292 /nfs/dbraw/zinc/87/12/92/563871292.db2.gz ZSXQHEIQHFCOGM-MRXNPFEDSA-N 1 0 382.346 2.670 20 0 GFADRO CC[C@H]([NH3+])CNC(=O)NCC1(c2cccc(Br)c2)CCOCC1 ZINC000417183467 563871346 /nfs/dbraw/zinc/87/13/46/563871346.db2.gz RSHWOAHTFVKNEI-HNNXBMFYSA-N 1 0 384.318 2.534 20 0 GFADRO C[C@H](NC(=O)N1CC[C@@](C)(C[NH3+])C1)c1cc2c(cc1Br)OCCO2 ZINC000417186575 563871838 /nfs/dbraw/zinc/87/18/38/563871838.db2.gz VILLMEDPJXQRTD-GTNSWQLSSA-N 1 0 398.301 2.662 20 0 GFADRO O=C1CC[C@H]([NH2+]Cc2cc(Br)c3c(c2)OCCCO3)[C@H](C2CC2)N1 ZINC000368500717 563872409 /nfs/dbraw/zinc/87/24/09/563872409.db2.gz YFUPRBPTVZTSBK-YOEHRIQHSA-N 1 0 395.297 2.757 20 0 GFADRO C[C@@H](CCCC[NH3+])NC(=O)NCCC(=O)Nc1ccc(Br)cc1 ZINC000417210339 563873151 /nfs/dbraw/zinc/87/31/51/563873151.db2.gz DTLRINYTWQFZFU-LBPRGKRZSA-N 1 0 385.306 2.594 20 0 GFADRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1cc(Br)cnc1N(C)C ZINC000368546073 563873630 /nfs/dbraw/zinc/87/36/30/563873630.db2.gz PTHNQFWJFRBMMQ-TZMCWYRMSA-N 1 0 381.318 2.609 20 0 GFADRO [NH3+]C1(CNC(=O)NCc2cn3cc(Br)ccc3n2)CCCCC1 ZINC000417213692 563873772 /nfs/dbraw/zinc/87/37/72/563873772.db2.gz GCKWXRMQOFHAPU-UHFFFAOYSA-N 1 0 380.290 2.558 20 0 GFADRO C[C@H]1C[C@@H]([NH2+]Cc2ccc(S(C)(=O)=O)c(C(F)(F)F)c2)CN1C1CC1 ZINC000447058063 563873775 /nfs/dbraw/zinc/87/37/75/563873775.db2.gz GDVOYSSWYHMMID-WCQYABFASA-N 1 0 376.444 2.824 20 0 GFADRO COC[C@]1(CNC(=O)N[C@@H](C)CCc2ccc(Br)cc2)CCC[NH2+]1 ZINC000417226055 563874302 /nfs/dbraw/zinc/87/43/02/563874302.db2.gz KEHVZEVUNFDHLU-KBXCAEBGSA-N 1 0 398.345 2.838 20 0 GFADRO C[NH+]1CCC(C(=O)NCc2cnn(-c3ccc(Br)cc3)c2)CC1 ZINC000447066704 563874415 /nfs/dbraw/zinc/87/44/15/563874415.db2.gz GYCBSHYBDCERII-UHFFFAOYSA-N 1 0 377.286 2.593 20 0 GFADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)c3cc(=O)[nH]c4ccc(Br)cc43)C[C@H]21 ZINC000368592418 563874939 /nfs/dbraw/zinc/87/49/39/563874939.db2.gz NXEWUFLRLOXTAP-BDJLRTHQSA-N 1 0 390.281 2.869 20 0 GFADRO C[NH2+]C[C@@H]1CCCN(C(=O)N[C@H]2CCOc3ccc(Br)cc32)C1 ZINC000417242137 563875228 /nfs/dbraw/zinc/87/52/28/563875228.db2.gz SZYZWDLWXRVFFG-WFASDCNBSA-N 1 0 382.302 2.914 20 0 GFADRO O=S(=O)(N[C@@H]1CC12CC[NH2+]CC2)c1ccc(Cl)cc1Br ZINC000368631493 563875789 /nfs/dbraw/zinc/87/57/89/563875789.db2.gz HZTPHLFWVPFQMK-GFCCVEGCSA-N 1 0 379.707 2.523 20 0 GFADRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NC[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000417266823 563875912 /nfs/dbraw/zinc/87/59/12/563875912.db2.gz WXFOTCYCIQTDJB-JKIFEVAISA-N 1 0 395.345 2.573 20 0 GFADRO COC[C@H](C)OC[C@@H](O)C[N@H+](Cc1cc(Br)ccc1F)C1CC1 ZINC000447176186 563876216 /nfs/dbraw/zinc/87/62/16/563876216.db2.gz JPJCDRWSGRPFGA-LRDDRELGSA-N 1 0 390.293 2.965 20 0 GFADRO C[NH2+]CCCNC(=O)N[C@H](C)CCc1ccc(I)cc1 ZINC000418119118 563899477 /nfs/dbraw/zinc/89/94/77/563899477.db2.gz XDBQEQFIFWEEIL-GFCCVEGCSA-N 1 0 389.281 2.521 20 0 GFADRO [NH3+][C@@H]1CCC[C@H]2CN(S(=O)(=O)c3cc(Br)sc3Cl)C[C@H]21 ZINC000447247598 563877885 /nfs/dbraw/zinc/87/78/85/563877885.db2.gz JEVQXHHZTPIYBF-DJLDLDEBSA-N 1 0 399.763 2.912 20 0 GFADRO COCC[NH2+]CCNC(=O)NCc1nc(-c2ccc(Cl)cc2)c(C)s1 ZINC000417322204 563878112 /nfs/dbraw/zinc/87/81/12/563878112.db2.gz FBMCXBQLTWEKNO-UHFFFAOYSA-N 1 0 382.917 2.807 20 0 GFADRO [NH3+]CCN(Cc1ccccc1)C(=O)NCCOc1ccc(Br)cc1 ZINC000417317488 563878132 /nfs/dbraw/zinc/87/81/32/563878132.db2.gz IVMDMYVGUSMKEY-UHFFFAOYSA-N 1 0 392.297 2.998 20 0 GFADRO COC[C@@]1(CNC(=O)NCCCOc2ccc(Cl)cc2Cl)CCC[NH2+]1 ZINC000417336609 563878174 /nfs/dbraw/zinc/87/81/74/563878174.db2.gz VUVPHFQCMARABC-KRWDZBQOSA-N 1 0 390.311 2.830 20 0 GFADRO [NH3+][C@@H]1CCC[C@H]2CN(S(=O)(=O)c3cc(Br)ccc3Cl)C[C@@H]21 ZINC000447253222 563878338 /nfs/dbraw/zinc/87/83/38/563878338.db2.gz WXLPEIKDGLEBQZ-XHVZSJERSA-N 1 0 393.734 2.850 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000417361219 563878879 /nfs/dbraw/zinc/87/88/79/563878879.db2.gz BZTNMXJRIDPGAB-UONOGXRCSA-N 1 0 397.317 2.655 20 0 GFADRO CCS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCCC3(CC[NH2+]CC3)C2)c1 ZINC000368820982 563879476 /nfs/dbraw/zinc/87/94/76/563879476.db2.gz HTNRKEDWBADSMP-UHFFFAOYSA-N 1 0 384.929 2.739 20 0 GFADRO C[C@H]1CN(C(=O)NCc2cc(Br)ccc2OC(F)F)CC[C@@H]1[NH3+] ZINC000417415157 563879770 /nfs/dbraw/zinc/87/97/70/563879770.db2.gz XGJRMEFFCCFVLO-CABZTGNLSA-N 1 0 392.244 2.929 20 0 GFADRO CN1CC[NH+](CCC2CCN(C(=O)c3ccc(Br)cc3)CC2)CC1 ZINC000368846667 563879821 /nfs/dbraw/zinc/87/98/21/563879821.db2.gz WBYFEFFJYIZOGV-UHFFFAOYSA-N 1 0 394.357 2.939 20 0 GFADRO COCCn1ccc(NC(=O)C2CC[NH+](Cc3ccc(Cl)s3)CC2)n1 ZINC000368877997 563880378 /nfs/dbraw/zinc/88/03/78/563880378.db2.gz YLDOAQBNEHWHBB-UHFFFAOYSA-N 1 0 382.917 3.095 20 0 GFADRO C[C@@H](C1CCCCC1)[N@H+](C)CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl ZINC000447385694 563880955 /nfs/dbraw/zinc/88/09/55/563880955.db2.gz PJFJHTXGHZRFOF-LBPRGKRZSA-N 1 0 387.933 2.827 20 0 GFADRO CC[C@@H](Cc1ccccc1Br)C(=O)N1CCC[N@@H+]([C@H](C)CO)CC1 ZINC000368971468 563883028 /nfs/dbraw/zinc/88/30/28/563883028.db2.gz BRXYOPMFGGHJPK-CVEARBPZSA-N 1 0 397.357 2.933 20 0 GFADRO CC(C)c1n[nH]c(C(=O)NC[C@H]2CCC[C@H]2[NH+]2CCOCC2)c1Br ZINC000369056757 563885402 /nfs/dbraw/zinc/88/54/02/563885402.db2.gz HVLPWKNCJQKJRO-CHWSQXEVSA-N 1 0 399.333 2.526 20 0 GFADRO CC1(CNC(=O)N[C@@H]2CCN(c3ccccc3Br)C2)CC[NH2+]CC1 ZINC000417604995 563885978 /nfs/dbraw/zinc/88/59/78/563885978.db2.gz WPGXVQGWZVHUAV-CQSZACIVSA-N 1 0 395.345 2.717 20 0 GFADRO C[NH2+][C@H]1CCCN(C(=O)NCCOc2ncc(C(F)(F)F)cc2Cl)C1 ZINC000417739890 563887861 /nfs/dbraw/zinc/88/78/61/563887861.db2.gz QUJVZFGERULHOA-NSHDSACASA-N 1 0 380.798 2.526 20 0 GFADRO CO[C@@H]1CCN(C(=O)NCc2cc(Cl)ccc2OC(F)F)[C@H](C[NH3+])C1 ZINC000417776942 563889141 /nfs/dbraw/zinc/88/91/41/563889141.db2.gz BSIQVSRAPYSVSF-QWHCGFSZSA-N 1 0 377.819 2.589 20 0 GFADRO C[NH+]1CCC2(CCCN(S(=O)(=O)c3cnc(Cl)c(Cl)c3)C2)CC1 ZINC000369182137 563889574 /nfs/dbraw/zinc/88/95/74/563889574.db2.gz FMWCCSKJXNAIHB-UHFFFAOYSA-N 1 0 378.325 2.885 20 0 GFADRO COc1cc(Cl)c(S(=O)(=O)NCC[N@@H+]2CCCC(C)(C)C2)cc1OC ZINC000447875793 563889898 /nfs/dbraw/zinc/88/98/98/563889898.db2.gz UTBIUNWWENJOEP-UHFFFAOYSA-N 1 0 390.933 2.758 20 0 GFADRO C[C@H]([NH3+])C1CCN(C(=O)NC[C@H](C)Oc2cccc(Br)c2)CC1 ZINC000417803043 563889978 /nfs/dbraw/zinc/88/99/78/563889978.db2.gz XWHRDAMYBXHVKK-STQMWFEESA-N 1 0 384.318 2.985 20 0 GFADRO COC[C@@]1(CNC(=O)NCc2cc(Cl)ccc2OC(F)F)CCC[NH2+]1 ZINC000417793243 563890014 /nfs/dbraw/zinc/89/00/14/563890014.db2.gz ZJDUHMQIOFSYCR-INIZCTEOSA-N 1 0 377.819 2.509 20 0 GFADRO CO[C@@H]1CCN(C(=O)NCCc2nc3cc(Cl)ccc3s2)[C@@H](C[NH3+])C1 ZINC000417884028 563890979 /nfs/dbraw/zinc/89/09/79/563890979.db2.gz WFICEVVFZANDIL-CHWSQXEVSA-N 1 0 382.917 2.640 20 0 GFADRO C[C@@H](Cc1c(Cl)cccc1Cl)NC(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000417949040 563892133 /nfs/dbraw/zinc/89/21/33/563892133.db2.gz UNTZHSKUOXXKQE-KBPBESRZSA-N 1 0 385.339 2.614 20 0 GFADRO [NH3+]C1(CNC(=O)NCCCOc2ncc(C(F)(F)F)cc2Cl)CCC1 ZINC000417954066 563892177 /nfs/dbraw/zinc/89/21/77/563892177.db2.gz FEKOBWOTADQBTP-UHFFFAOYSA-N 1 0 380.798 2.703 20 0 GFADRO COc1cc(Br)ccc1CCCNC(=O)N(C)C1CC[NH2+]CC1 ZINC000417993886 563894256 /nfs/dbraw/zinc/89/42/56/563894256.db2.gz BJEQEQWQTBAMRL-UHFFFAOYSA-N 1 0 384.318 2.784 20 0 GFADRO CCO[C@H]1COCC[C@@H]1[NH2+]Cc1ccc(F)cc1I ZINC000417992673 563894409 /nfs/dbraw/zinc/89/44/09/563894409.db2.gz OYHQVNZTDUTCBY-KBPBESRZSA-N 1 0 379.213 2.714 20 0 GFADRO C[C@@H]1[C@H](NC(=O)Nc2ccnn2-c2ccc(Br)cn2)CCC[N@@H+]1C ZINC000448131372 563894563 /nfs/dbraw/zinc/89/45/63/563894563.db2.gz XGKTXJWLKVJBLO-DGCLKSJQSA-N 1 0 393.289 2.634 20 0 GFADRO C[C@H]1C[C@H](NC(=O)NCCc2c[nH]c3ccc(Br)cc23)CC[NH2+]1 ZINC000418004701 563895182 /nfs/dbraw/zinc/89/51/82/563895182.db2.gz OMACCXHJZYXNDT-SMDDNHRTSA-N 1 0 379.302 2.913 20 0 GFADRO CCCC[C@@H](C[NH3+])NC(=O)NCCc1cn2cc(Br)cc(C)c2n1 ZINC000418018288 563895704 /nfs/dbraw/zinc/89/57/04/563895704.db2.gz ILPZPBWREWSTOL-AWEZNQCLSA-N 1 0 396.333 2.764 20 0 GFADRO [NH3+]C1(CNC(=O)NCc2cc(Br)ccc2Br)CCC1 ZINC000418030609 563896049 /nfs/dbraw/zinc/89/60/49/563896049.db2.gz ADEFLSMVSNBSPZ-UHFFFAOYSA-N 1 0 391.107 2.892 20 0 GFADRO Cc1cc(NC(=O)C(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)ccc1Br ZINC000448326546 563896149 /nfs/dbraw/zinc/89/61/49/563896149.db2.gz AWIYONDKNREFAT-HNNXBMFYSA-N 1 0 396.329 2.933 20 0 GFADRO OC[C@@H](C[NH2+]Cc1ccc(F)cc1I)c1cccnc1 ZINC000418054793 563896982 /nfs/dbraw/zinc/89/69/82/563896982.db2.gz ARZQNKSEXRFGIA-CYBMUJFWSA-N 1 0 386.208 2.691 20 0 GFADRO CCn1c(CNC(=O)N[C@H]2CC[NH2+]C[C@@H]2C)nc2cc(Br)ccc21 ZINC000418067850 563897413 /nfs/dbraw/zinc/89/74/13/563897413.db2.gz PLBBGWUTBPASGC-AAEUAGOBSA-N 1 0 394.317 2.616 20 0 GFADRO CCn1c(CNC(=O)NC2(C)CC[NH2+]CC2)nc2cc(Br)ccc21 ZINC000418070113 563897482 /nfs/dbraw/zinc/89/74/82/563897482.db2.gz UELNKGIZRHCYII-UHFFFAOYSA-N 1 0 394.317 2.760 20 0 GFADRO COc1cc(Br)ccc1[C@@H](C)NC(=O)N[C@H](CC[NH3+])C(F)F ZINC000418073591 563897848 /nfs/dbraw/zinc/89/78/48/563897848.db2.gz WYSCWQACINKQPK-LDYMZIIASA-N 1 0 380.233 2.800 20 0 GFADRO O=C(N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000418081079 563897901 /nfs/dbraw/zinc/89/79/01/563897901.db2.gz NISOPOWPMBZSEK-KDOFPFPSSA-N 1 0 383.323 2.967 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H](CNC(=O)N[C@H]2CCN(c3cccc(Br)c3)C2)C1 ZINC000418094349 563898646 /nfs/dbraw/zinc/89/86/46/563898646.db2.gz HWJDOOWQUQZSQX-BMFZPTHFSA-N 1 0 395.345 2.845 20 0 GFADRO CC1(C)CCC[NH2+][C@H]1CNC(=O)NCCCCn1cc(Br)cn1 ZINC000418106867 563898946 /nfs/dbraw/zinc/89/89/46/563898946.db2.gz NZNITJJWHBXISX-AWEZNQCLSA-N 1 0 386.338 2.503 20 0 GFADRO C[C@@H]1CN(Cc2ccc(OC(F)F)c(Br)c2)[C@@H](C)C[N@@H+]1CCO ZINC000418111050 563899068 /nfs/dbraw/zinc/89/90/68/563899068.db2.gz KIEXACKKHVQIBD-NEPJUHHUSA-N 1 0 393.272 2.937 20 0 GFADRO Cc1ccc(Br)cc1CC(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000448715909 563900246 /nfs/dbraw/zinc/90/02/46/563900246.db2.gz HTIDSCSLTBBNQT-UHFFFAOYSA-N 1 0 395.341 2.871 20 0 GFADRO [NH3+]C1(CNC(=O)N[C@H]2COc3cc(F)c(Br)cc32)CCCCC1 ZINC000418153332 563900291 /nfs/dbraw/zinc/90/02/91/563900291.db2.gz ISCZJLVCBMKULM-ZDUSSCGKSA-N 1 0 386.265 2.983 20 0 GFADRO O=C(NCCC[NH2+]Cc1cccnc1)NCc1ccsc1Br ZINC000418158129 563900439 /nfs/dbraw/zinc/90/04/39/563900439.db2.gz PGRDWTIKLWLVOW-UHFFFAOYSA-N 1 0 383.315 2.885 20 0 GFADRO COCC[C@H](NC(=O)NC[C@@H]1C[NH2+]CCCO1)c1ccc(Cl)c(Cl)c1 ZINC000418174359 563900738 /nfs/dbraw/zinc/90/07/38/563900738.db2.gz UIRMADMEJBBBPL-BBRMVZONSA-N 1 0 390.311 2.749 20 0 GFADRO C[C@@H]1CCN(C(=O)NCc2cc(F)c(F)cc2Br)[C@@H](C[NH3+])C1 ZINC000418173353 563900775 /nfs/dbraw/zinc/90/07/75/563900775.db2.gz BSDYJMIKUZZTMW-MWLCHTKSSA-N 1 0 376.245 2.996 20 0 GFADRO COCC[NH+]1CCC(NC(=O)c2cc3c(ccc(F)c3Br)[nH]2)CC1 ZINC000448801785 563901688 /nfs/dbraw/zinc/90/16/88/563901688.db2.gz XKYAKUBEJPFWIY-UHFFFAOYSA-N 1 0 398.276 2.910 20 0 GFADRO Cc1ccc(CC(=O)NCC2CC[NH+](CCN(C)C)CC2)c(Br)c1 ZINC000448977813 563904432 /nfs/dbraw/zinc/90/44/32/563904432.db2.gz UUFJUZLAQAQXDT-UHFFFAOYSA-N 1 0 396.373 2.690 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[N@H+](C)C[C@H]1CCCCO1 ZINC000449020946 563905728 /nfs/dbraw/zinc/90/57/28/563905728.db2.gz RGZXBZOLINKRKW-XJKSGUPXSA-N 1 0 399.329 2.963 20 0 GFADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+]CCc1ccco1 ZINC000449061669 563906439 /nfs/dbraw/zinc/90/64/39/563906439.db2.gz JAUHIKQFBTVLPV-GFCCVEGCSA-N 1 0 381.270 2.888 20 0 GFADRO CCCS(=O)(=O)N1CCC([NH2+][C@@H]2CCc3cc(F)c(F)c(F)c32)CC1 ZINC000449079857 563906460 /nfs/dbraw/zinc/90/64/60/563906460.db2.gz QNWMUJMRIQJRBG-CQSZACIVSA-N 1 0 376.444 2.885 20 0 GFADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNCc1cccc(Br)c1F ZINC000449113144 563906872 /nfs/dbraw/zinc/90/68/72/563906872.db2.gz VKDQYKIUHURPPU-HNNXBMFYSA-N 1 0 386.309 2.621 20 0 GFADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+]CCC1CCOCC1 ZINC000449137813 563907569 /nfs/dbraw/zinc/90/75/69/563907569.db2.gz AIZNXMXHRQXHLK-CYBMUJFWSA-N 1 0 399.329 2.869 20 0 GFADRO O=S(=O)(Cc1ccon1)NCC[NH2+][C@@H]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000449179289 563907677 /nfs/dbraw/zinc/90/76/77/563907677.db2.gz VILJMRMFTLUWOA-GOEBONIOSA-N 1 0 383.901 2.673 20 0 GFADRO CC1(C)C[NH2+]CC[C@H]1NC(=O)c1cc(F)ccc1I ZINC000449695267 564197236 /nfs/dbraw/zinc/19/72/36/564197236.db2.gz DXIJXYFXPWNPKE-GFCCVEGCSA-N 1 0 376.213 2.548 20 0 GFADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+]CC1(CO)CCCC1 ZINC000449250754 564178048 /nfs/dbraw/zinc/17/80/48/564178048.db2.gz PNYCHTYXVVQIKJ-CYBMUJFWSA-N 1 0 399.329 2.605 20 0 GFADRO COc1ccc([C@@H](C)[NH2+]C[C@H](O)CS(=O)(=O)c2cccs2)cc1Cl ZINC000537951325 564178301 /nfs/dbraw/zinc/17/83/01/564178301.db2.gz IGVAGZZYGGNSRT-YPMHNXCESA-N 1 0 389.926 2.896 20 0 GFADRO COc1cc(Br)ccc1[C@H](C)NC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC000470832614 564178350 /nfs/dbraw/zinc/17/83/50/564178350.db2.gz SCQVQRCWQTZXRB-STQMWFEESA-N 1 0 385.302 2.603 20 0 GFADRO O=C(c1ccc(C[NH+]2CCSCC2)cc1)N1CCO[C@@]2(CCSC2)C1 ZINC000563174634 564178493 /nfs/dbraw/zinc/17/84/93/564178493.db2.gz DWCACKNLFQHBRY-IBGZPJMESA-N 1 0 378.563 2.584 20 0 GFADRO O=S1(=O)CCO[C@@H](C[NH2+][C@@H]2CCCc3nc(-c4ccccc4)sc32)C1 ZINC000537964277 564178471 /nfs/dbraw/zinc/17/84/71/564178471.db2.gz LHELZAMASXKAQD-LSDHHAIUSA-N 1 0 378.519 2.591 20 0 GFADRO O=C(NCc1cc(Cl)cc(I)c1)[C@@H]1CCCC[NH2+]1 ZINC000563170095 564178857 /nfs/dbraw/zinc/17/88/57/564178857.db2.gz OQBORJWHTGBQCW-LBPRGKRZSA-N 1 0 378.641 2.703 20 0 GFADRO OCc1cn(CCC[NH2+]C2CC(c3ccc(Br)cc3F)C2)nn1 ZINC000449328810 564180430 /nfs/dbraw/zinc/18/04/30/564180430.db2.gz LKNMUJNQCBNFER-UHFFFAOYSA-N 1 0 383.265 2.598 20 0 GFADRO CS(=O)(=O)N[C@H]1CCCC[C@@H]1C[NH2+]Cc1cccc(F)c1Br ZINC000449317330 564180480 /nfs/dbraw/zinc/18/04/80/564180480.db2.gz AXTGLGGAVOIXOT-RISCZKNCSA-N 1 0 393.322 2.786 20 0 GFADRO CCC[C@H](C[NH2+]Cc1cc(Br)ccc1O[C@@H](C)C(=O)NC)OC ZINC000449373927 564181944 /nfs/dbraw/zinc/18/19/44/564181944.db2.gz CYFSXGFILQASCM-SWLSCSKDSA-N 1 0 387.318 2.867 20 0 GFADRO CC(C)[C@@H]([NH2+]Cc1ccc(Cl)s1)C(=O)N(C)Cc1nnc2n1CCC2 ZINC000470998004 564182735 /nfs/dbraw/zinc/18/27/35/564182735.db2.gz VTEAREWFTWAFAR-MRXNPFEDSA-N 1 0 381.933 2.712 20 0 GFADRO C[C@H]([NH2+]CCCc1nc2c(s1)CCCC2)c1cccc(S(N)(=O)=O)c1 ZINC000538099123 564182757 /nfs/dbraw/zinc/18/27/57/564182757.db2.gz RBZNFPMATGACOI-ZDUSSCGKSA-N 1 0 379.551 2.953 20 0 GFADRO COC(=O)CCC[NH+]1CCC(NCc2nc(C)c(Br)s2)CC1 ZINC000449399633 564184256 /nfs/dbraw/zinc/18/42/56/564184256.db2.gz CISNJCVKLNYTOZ-UHFFFAOYSA-N 1 0 390.347 2.721 20 0 GFADRO OCCCN1CCC[C@H]([NH2+]Cc2ccnc3c(Br)cccc23)C1 ZINC000449393170 564184644 /nfs/dbraw/zinc/18/46/44/564184644.db2.gz BICLFPCPDDOSCF-HNNXBMFYSA-N 1 0 378.314 2.934 20 0 GFADRO C[N@@H+]1CCC[C@]2(CCN(C(=O)Cc3ccccc3I)C2)C1 ZINC000505516879 564184921 /nfs/dbraw/zinc/18/49/21/564184921.db2.gz ULPJFCMCBBVLQI-KRWDZBQOSA-N 1 0 398.288 2.778 20 0 GFADRO C[C@@H]1CN(CCOC2CCN(c3ncccc3Br)CC2)C[C@@H](C)O1 ZINC000563306514 564185828 /nfs/dbraw/zinc/18/58/28/564185828.db2.gz NHDUNBNMOUQEQT-HUUCEWRRSA-N 1 0 398.345 2.939 20 0 GFADRO COc1ccc(Br)c(CC(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)c1 ZINC000505633655 564186664 /nfs/dbraw/zinc/18/66/64/564186664.db2.gz LJTNMCHSULIXRI-SFHVURJKSA-N 1 0 381.314 2.945 20 0 GFADRO CC[C@H](CNS(C)(=O)=O)[NH2+]C1CC(c2cccc(Br)c2)C1 ZINC000449444257 564186977 /nfs/dbraw/zinc/18/69/77/564186977.db2.gz ZKYNRQHBXRHFET-HNFVBEJKSA-N 1 0 375.332 2.613 20 0 GFADRO C[N@H+]1CC=C(CNC(=O)c2cc(-c3ccc(Br)cc3)n[nH]2)CC1 ZINC000538342198 564189054 /nfs/dbraw/zinc/18/90/54/564189054.db2.gz BSUCLJVABTZOBQ-UHFFFAOYSA-N 1 0 375.270 2.831 20 0 GFADRO O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)Nc1cccc(Cl)c1Cl ZINC000563405849 564189097 /nfs/dbraw/zinc/18/90/97/564189097.db2.gz DCLJBQKNUNFWBF-NSHDSACASA-N 1 0 385.217 2.951 20 0 GFADRO C[C@@H]1CN(Cc2ccnc3c(Br)cccc23)C[C@H](C)[N@H+]1CCO ZINC000449541032 564189978 /nfs/dbraw/zinc/18/99/78/564189978.db2.gz YNOWSZHCTSQQPN-OKILXGFUSA-N 1 0 378.314 2.884 20 0 GFADRO Cc1c(Br)cccc1C[NH2+]C1CCN(CCN2CCOCC2)CC1 ZINC000563416800 564190052 /nfs/dbraw/zinc/19/00/52/564190052.db2.gz JUOZDNLDVCLZKG-UHFFFAOYSA-N 1 0 396.373 2.644 20 0 GFADRO CC[NH+](CC)[C@H]1CCN(C(=O)C2(c3cccc(Br)c3)CC(=O)C2)C1 ZINC000538386907 564190147 /nfs/dbraw/zinc/19/01/47/564190147.db2.gz IEXLFKIUHQXGMX-INIZCTEOSA-N 1 0 393.325 2.993 20 0 GFADRO COc1ccc(C[C@@H](CO)C[NH2+]Cc2cn(C(C)C)nn2)cc1Br ZINC000449597889 564191094 /nfs/dbraw/zinc/19/10/94/564191094.db2.gz GUDYVHRSVGGIDG-CQSZACIVSA-N 1 0 397.317 2.571 20 0 GFADRO CSc1cc(C(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)c(Cl)cc1Cl ZINC000471280659 564191564 /nfs/dbraw/zinc/19/15/64/564191564.db2.gz XAHFRIXWDPTSON-CYBMUJFWSA-N 1 0 390.336 2.785 20 0 GFADRO Cn1cc(I)c(C[NH2+][C@@H]2CCCC[C@@H]2[C@@H]2CCOC2)n1 ZINC000449603551 564192105 /nfs/dbraw/zinc/19/21/05/564192105.db2.gz GYLOOCSXJSWWOI-YRGRVCCFSA-N 1 0 389.281 2.710 20 0 GFADRO CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)CNC(=O)c1ccc(Br)cc1 ZINC000563469644 564192354 /nfs/dbraw/zinc/19/23/54/564192354.db2.gz OXEHWMBLADZPMZ-INIZCTEOSA-N 1 0 396.329 2.512 20 0 GFADRO CCN(C[C@H]1CCC[N@@H+]1CC)C(=O)CNC(=O)c1ccc(Br)cc1 ZINC000563469646 564192655 /nfs/dbraw/zinc/19/26/55/564192655.db2.gz OXEHWMBLADZPMZ-MRXNPFEDSA-N 1 0 396.329 2.512 20 0 GFADRO OC[C@H](C[NH2+]Cc1cnc2cnccn12)Cc1cc(Br)ccc1F ZINC000449605508 564192877 /nfs/dbraw/zinc/19/28/77/564192877.db2.gz ZLCNPSONXRKQFZ-LBPRGKRZSA-N 1 0 393.260 2.572 20 0 GFADRO CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCCOc2ccc(I)cc21 ZINC000538622995 564195615 /nfs/dbraw/zinc/19/56/15/564195615.db2.gz SKHQJOHQYYGDCW-ZWNOBZJWSA-N 1 0 388.249 2.619 20 0 GFADRO COCCN1CCC([NH2+]C[C@@H](CO)Cc2cccc(Br)c2C)CC1 ZINC000449686352 564197064 /nfs/dbraw/zinc/19/70/64/564197064.db2.gz WEHFWZSKGJZLAJ-INIZCTEOSA-N 1 0 399.373 2.609 20 0 GFADRO NC(=O)[C@H]1CCC[N@H+](CCCNCc2cc3cc(Br)ccc3o2)C1 ZINC000563551032 564197506 /nfs/dbraw/zinc/19/75/06/564197506.db2.gz WNNPZEYTFPIOON-ZDUSSCGKSA-N 1 0 394.313 2.872 20 0 GFADRO [NH3+]CC[C@@H](NC(=O)[C@H]1CCN(c2cc(Cl)ccc2Cl)C1=O)C(F)(F)F ZINC000449721753 564198711 /nfs/dbraw/zinc/19/87/11/564198711.db2.gz OZJBEMAJBWTZKA-BXKDBHETSA-N 1 0 398.212 2.742 20 0 GFADRO [NH3+]CC[C@H](NC(=O)C1CCN(C(=O)c2ccc(Cl)s2)CC1)C(F)(F)F ZINC000449719515 564198841 /nfs/dbraw/zinc/19/88/41/564198841.db2.gz LGKONNKESUVFMJ-NSHDSACASA-N 1 0 397.850 2.650 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)N[C@@H]1CC[NH2+]C1(C)C ZINC000449749883 564199175 /nfs/dbraw/zinc/19/91/75/564199175.db2.gz HAKPWIYDXRABKW-XJKSGUPXSA-N 1 0 384.567 2.608 20 0 GFADRO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1C[C@@H](C)c1cccc(Br)c1 ZINC000538761901 564200241 /nfs/dbraw/zinc/20/02/41/564200241.db2.gz KEPRXGMESWCRDS-DOMZBBRYSA-N 1 0 375.332 2.566 20 0 GFADRO CC[C@@H]1C[C@H](CNc2cc(N3CCOCC3)c(Br)c[nH+]2)CCO1 ZINC000449764791 564200531 /nfs/dbraw/zinc/20/05/31/564200531.db2.gz DNCFQADLMYSXEZ-ZIAGYGMSSA-N 1 0 384.318 3.298 20 0 GFADRO C[C@@H](CNc1cc(N2CCOCC2)c(Br)c[nH+]1)CC1CCOCC1 ZINC000449767305 564201854 /nfs/dbraw/zinc/20/18/54/564201854.db2.gz PYUWNBVYGSZTET-CQSZACIVSA-N 1 0 398.345 3.545 20 0 GFADRO C[C@H](CNC(=O)c1cn2ccc(Br)cc2n1)[N@@H+]1CCC[C@H](C)C1 ZINC000506497650 564203110 /nfs/dbraw/zinc/20/31/10/564203110.db2.gz XWXLPPOBJNFDCB-QWHCGFSZSA-N 1 0 379.302 2.947 20 0 GFADRO CS(=O)(=O)N1CCC(C[NH2+][C@H](Cc2ccncc2)c2cccs2)CC1 ZINC000563701469 564203260 /nfs/dbraw/zinc/20/32/60/564203260.db2.gz SDMHVQHTYJUBAL-QGZVFWFLSA-N 1 0 379.551 2.688 20 0 GFADRO C[C@@H](CNC(=O)[C@H]1Cc2cc(Br)ccc2O1)C[NH+]1CCCCC1 ZINC000471779706 564203856 /nfs/dbraw/zinc/20/38/56/564203856.db2.gz JFLAWCATYGKAMN-SUMWQHHRSA-N 1 0 381.314 2.991 20 0 GFADRO CCNS(=O)(=O)[C@H]1CC[N@H+](CC/C=C\c2ccc(Br)cc2)C1 ZINC000538902050 564205540 /nfs/dbraw/zinc/20/55/40/564205540.db2.gz IEBFBGXHPIXDCS-IMMZDGJCSA-N 1 0 387.343 2.866 20 0 GFADRO COCC[N@@H+]1CC[C@@H](NC(=O)c2cc(Br)cc(OC(C)C)c2)C1 ZINC000471956004 564207830 /nfs/dbraw/zinc/20/78/30/564207830.db2.gz DIIXEDBFGOKQCA-OAHLLOKOSA-N 1 0 385.302 2.687 20 0 GFADRO [NH3+]C[C@H](NC(=O)c1cc(=O)c2cc(Br)ccc2[nH]1)C1CCCC1 ZINC000563804822 564208026 /nfs/dbraw/zinc/20/80/26/564208026.db2.gz ISNANBHDQNJQAQ-HNNXBMFYSA-N 1 0 378.270 2.538 20 0 GFADRO COc1ccc(Cl)cc1[C@@H](CC(C)C)[NH2+]C[C@@H]1CS(=O)(=O)CCO1 ZINC000539056352 564208837 /nfs/dbraw/zinc/20/88/37/564208837.db2.gz HPUCGXORODORJY-GDBMZVCRSA-N 1 0 375.918 2.839 20 0 GFADRO COc1ccc(Cl)cc1[C@H](CC(C)C)[NH2+]C[C@H]1CS(=O)(=O)CCO1 ZINC000539056354 564208940 /nfs/dbraw/zinc/20/89/40/564208940.db2.gz HPUCGXORODORJY-HOCLYGCPSA-N 1 0 375.918 2.839 20 0 GFADRO CO[C@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)NCC[N@H+](C)C1CC1 ZINC000539143886 564211353 /nfs/dbraw/zinc/21/13/53/564211353.db2.gz VEUQBSJALPIOFV-WBMJQRKESA-N 1 0 384.318 2.919 20 0 GFADRO C[C@@H]1CSc2ccc(Br)cc2[C@H]1[NH2+]CCCNS(C)(=O)=O ZINC000539306805 564215933 /nfs/dbraw/zinc/21/59/33/564215933.db2.gz RBNIVQBLDQHUJG-YGRLFVJLSA-N 1 0 393.372 2.761 20 0 GFADRO CC(C)(C)[NH2+]CCNC(=O)C1(c2ccc(I)cc2)CC1 ZINC000507023968 564216124 /nfs/dbraw/zinc/21/61/24/564216124.db2.gz YLJJJULLCDNKRF-UHFFFAOYSA-N 1 0 386.277 2.827 20 0 GFADRO COc1ccc(C(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)c(I)c1 ZINC000472247745 564217418 /nfs/dbraw/zinc/21/74/18/564217418.db2.gz STHDIERPNJOEBB-GHMZBOCLSA-N 1 0 388.249 2.512 20 0 GFADRO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)Cc1cccc(I)c1 ZINC000472252598 564218189 /nfs/dbraw/zinc/21/81/89/564218189.db2.gz URHKXVCDCTZYNZ-OAHLLOKOSA-N 1 0 386.277 2.632 20 0 GFADRO CCCS(=O)(=O)Nc1cc(NC(=O)CCCC[NH+](C)C)c(F)cc1F ZINC000564070248 564218331 /nfs/dbraw/zinc/21/83/31/564218331.db2.gz QLPSKHIEKNHGBK-UHFFFAOYSA-N 1 0 377.457 2.787 20 0 GFADRO O=C(NCCCCn1cc(Br)cn1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000472304285 564220045 /nfs/dbraw/zinc/22/00/45/564220045.db2.gz FLGGHKRDQWZNTQ-INIZCTEOSA-N 1 0 398.349 2.696 20 0 GFADRO Cc1cc(Br)cn2c(C[NH2+]C[C@H](CO)c3cccnc3)cnc12 ZINC000564117139 564221226 /nfs/dbraw/zinc/22/12/26/564221226.db2.gz ZGZDZPYDAKHVKF-CQSZACIVSA-N 1 0 375.270 2.666 20 0 GFADRO CNC(=O)C[NH+]1CCC(Nc2ccnc3cc(F)c(Br)cc32)CC1 ZINC000450241163 564223576 /nfs/dbraw/zinc/22/35/76/564223576.db2.gz KGMSFVMTQYXLDI-UHFFFAOYSA-N 1 0 395.276 2.759 20 0 GFADRO C[C@@H](CNc1cc(Br)cnc1C(N)=O)[N@H+](C)Cc1ccccc1 ZINC000472483928 564224801 /nfs/dbraw/zinc/22/48/01/564224801.db2.gz BSIZEGWTBODJGV-LBPRGKRZSA-N 1 0 377.286 2.875 20 0 GFADRO CC(C)[NH+]1CCC(N(C)C[C@H](O)COc2ccc(Br)cc2)CC1 ZINC000507364668 564226850 /nfs/dbraw/zinc/22/68/50/564226850.db2.gz WQVKJMBWYIRMHH-KRWDZBQOSA-N 1 0 385.346 2.993 20 0 GFADRO C[NH+]1CCC(CCO)(NCc2cn(-c3ccc(Cl)c(Cl)c3)nn2)CC1 ZINC000472621094 564230188 /nfs/dbraw/zinc/23/01/88/564230188.db2.gz WQAVSKMGVOCRLT-UHFFFAOYSA-N 1 0 384.311 2.511 20 0 GFADRO C[C@@H]([NH2+]CCS(=O)(=O)c1ccc(Br)cc1)[C@H]1CCCOC1 ZINC000507507584 564230721 /nfs/dbraw/zinc/23/07/21/564230721.db2.gz IGRVRMXIESJVSR-OLZOCXBDSA-N 1 0 376.316 2.628 20 0 GFADRO CSC1(CNS(=O)(=O)c2ccc3c(c2)CC(C)(C)O3)CC[NH+](C)CC1 ZINC000564408570 564232988 /nfs/dbraw/zinc/23/29/88/564232988.db2.gz AAKXKNCVNVTWLL-UHFFFAOYSA-N 1 0 384.567 2.506 20 0 GFADRO Cc1cc(C[N@@H+](C)C2CCN(S(C)(=O)=O)CC2)sc1Br ZINC000539928429 564233827 /nfs/dbraw/zinc/23/38/27/564233827.db2.gz ZNMPYEXMUQYUHG-UHFFFAOYSA-N 1 0 381.361 2.675 20 0 GFADRO O=C(CCC[S@@](=O)c1ccc(Br)cc1)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000564530394 564237507 /nfs/dbraw/zinc/23/75/07/564237507.db2.gz SPWIONLYSDZBNR-IBRHDDFTSA-N 1 0 399.354 2.547 20 0 GFADRO CS[C@@H]1CN(C(=O)C[C@H]2CSc3ccccc3O2)C[C@@H]1[NH+]1CCCC1 ZINC000450577605 564239334 /nfs/dbraw/zinc/23/93/34/564239334.db2.gz HECOKXOJWSAYRY-RLFYNMQTSA-N 1 0 378.563 2.968 20 0 GFADRO C[C@H](Cn1cc(Br)cn1)[NH2+]CCCN(C(=O)C1CCC1)C1CC1 ZINC000540179875 564240684 /nfs/dbraw/zinc/24/06/84/564240684.db2.gz IVPHUCFREULMSU-CYBMUJFWSA-N 1 0 383.334 2.805 20 0 GFADRO C[NH+](C)C1(CNC(=O)c2cc(I)c(F)cc2F)CCC1 ZINC000474111893 564266014 /nfs/dbraw/zinc/26/60/14/564266014.db2.gz WWHVFRMFAFTXMZ-UHFFFAOYSA-N 1 0 394.203 2.784 20 0 GFADRO O=C([C@@H]1C[C@]12CCc1cc(Br)ccc12)N1CC[NH+]2CCC1CC2 ZINC000507873706 564246136 /nfs/dbraw/zinc/24/61/36/564246136.db2.gz IGJPBXAKGZMBTF-HKUYNNGSSA-N 1 0 375.310 2.960 20 0 GFADRO O=C(NC[C@H]1C[NH2+]CCCO1)C1(c2ccc(Br)cc2)CCCC1 ZINC000564775607 564249044 /nfs/dbraw/zinc/24/90/44/564249044.db2.gz OJSJREAPSJRSRI-MRXNPFEDSA-N 1 0 381.314 2.756 20 0 GFADRO CC(C)[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000564836246 564251364 /nfs/dbraw/zinc/25/13/64/564251364.db2.gz RLNPNBFPFXYCMT-BCUIYNNISA-N 1 0 383.945 2.742 20 0 GFADRO COCC[C@@H](NC(=O)C[NH2+]C[C@@H]1CCCO1)c1ccc(Cl)c(Cl)c1 ZINC000564837350 564251552 /nfs/dbraw/zinc/25/15/52/564251552.db2.gz QLBMSDJEIHSOOA-XJKSGUPXSA-N 1 0 375.296 2.956 20 0 GFADRO OCc1ccc(C[NH2+]C[C@@H](O)COc2cccc(Br)c2)cc1F ZINC000564853029 564252301 /nfs/dbraw/zinc/25/23/01/564252301.db2.gz WOZVVSJCJBJTMC-OAHLLOKOSA-N 1 0 384.245 2.610 20 0 GFADRO Cc1cc(Br)cc2c(C(=O)NC[C@@H](C)N3CC[NH+](C)CC3)coc21 ZINC000473724757 564253470 /nfs/dbraw/zinc/25/34/70/564253470.db2.gz SMGGFLAFQZTCOH-CYBMUJFWSA-N 1 0 394.313 2.869 20 0 GFADRO CC(=O)Nc1ccc(OC[C@@H](O)C[NH2+]Cc2ccsc2Br)cc1 ZINC000564868793 564253721 /nfs/dbraw/zinc/25/37/21/564253721.db2.gz JIOFRZVETBEHGO-AWEZNQCLSA-N 1 0 399.310 2.999 20 0 GFADRO CCC[C@](C)([NH3+])C(=O)N1C[C@H](C(=O)OC)[C@@H](c2ccc(Br)cc2)C1 ZINC000564936619 564258356 /nfs/dbraw/zinc/25/83/56/564258356.db2.gz HUAGBKMYLCGQBN-VKJFTORMSA-N 1 0 397.313 2.682 20 0 GFADRO O=C(Nc1nc(N2CC[NH2+]CC2)n[nH]1)c1sc2cc(Cl)ccc2c1Cl ZINC000564944309 564259281 /nfs/dbraw/zinc/25/92/81/564259281.db2.gz HNAFRFKIKNNIAC-UHFFFAOYSA-N 1 0 397.291 2.988 20 0 GFADRO COc1ccc(S(=O)(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)cc1Br ZINC000564966650 564260211 /nfs/dbraw/zinc/26/02/11/564260211.db2.gz KPPWKNDNBZXKHO-HAQNSBGRSA-N 1 0 391.331 2.501 20 0 GFADRO C[NH+](C)C1(CNC(=O)c2ccc(F)c(I)c2)CCC1 ZINC000474100001 564265036 /nfs/dbraw/zinc/26/50/36/564265036.db2.gz QPZMHIOTSXKBSA-UHFFFAOYSA-N 1 0 376.213 2.644 20 0 GFADRO Cc1c(Br)cccc1S(=O)(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000474119557 564266107 /nfs/dbraw/zinc/26/61/07/564266107.db2.gz VJKGZCKOIJQXLJ-ZDUSSCGKSA-N 1 0 375.332 2.720 20 0 GFADRO CN(CC[N@H+](C)C1CC1)C(=O)N[C@H]1COc2cc(F)c(Br)cc21 ZINC000508649588 564268398 /nfs/dbraw/zinc/26/83/98/564268398.db2.gz KZYHEIOWKLATFU-AWEZNQCLSA-N 1 0 386.265 2.757 20 0 GFADRO O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cc(I)ccc1F ZINC000474227185 564270407 /nfs/dbraw/zinc/27/04/07/564270407.db2.gz DBOKIHGHCBYUEO-NWDGAFQWSA-N 1 0 388.224 2.787 20 0 GFADRO CC(C)NS(=O)(=O)CC[NH2+][C@@H]1CCCc2c(Br)cccc21 ZINC000541256929 564271731 /nfs/dbraw/zinc/27/17/31/564271731.db2.gz RZIGLFWIQWFGCS-OAHLLOKOSA-N 1 0 375.332 2.744 20 0 GFADRO C[N@H+](CCCC(=O)c1ccc(Br)cc1)[C@H]1CCN2CCO[C@H]1C2 ZINC000451135457 564278774 /nfs/dbraw/zinc/27/87/74/564278774.db2.gz BKDKWVKJEHYCHH-WMZOPIPTSA-N 1 0 381.314 2.817 20 0 GFADRO CN(CC(=O)Nc1ccc(Br)c(C(F)(F)F)c1)C(C)(C)C(N)=O ZINC000451136161 564279034 /nfs/dbraw/zinc/27/90/34/564279034.db2.gz DVRMPNBFFPCZRS-UHFFFAOYSA-N 1 0 396.207 2.602 20 0 GFADRO Fc1ccc(I)c(F)c1C[NH2+]CCCn1cccn1 ZINC000474480650 564279502 /nfs/dbraw/zinc/27/95/02/564279502.db2.gz RCYHDUIQIKQJHV-UHFFFAOYSA-N 1 0 377.176 2.946 20 0 GFADRO CCC[N@H+](C)[C@@H](CNC(=O)NC[C@@]1(O)CCSC1)c1ccc(Cl)cc1 ZINC000509051139 564279667 /nfs/dbraw/zinc/27/96/67/564279667.db2.gz OEXMTGPLPXWBFA-WMZOPIPTSA-N 1 0 385.961 2.890 20 0 GFADRO CNS(=O)(=O)CCC[NH+]1CCC(C)(c2cccc(Br)c2)CC1 ZINC000509076309 564280850 /nfs/dbraw/zinc/28/08/50/564280850.db2.gz DLEGZLIWYOHXBW-UHFFFAOYSA-N 1 0 389.359 2.742 20 0 GFADRO CN(C)S(=O)(=O)CC[NH2+][C@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000509139328 564283556 /nfs/dbraw/zinc/28/35/56/564283556.db2.gz NOLJGZRKDVPJCR-AWEZNQCLSA-N 1 0 379.295 2.520 20 0 GFADRO C[C@@H]([NH2+]C[C@H]1CCCCS1(=O)=O)c1ccc(I)cc1 ZINC000541570901 564283976 /nfs/dbraw/zinc/28/39/76/564283976.db2.gz KHEUKKFHIQANBI-BXUZGUMPSA-N 1 0 393.290 2.909 20 0 GFADRO COCCOCC[N@@H+]1CC[C@H](Cc2cccc(I)c2)C1 ZINC000451184935 564283997 /nfs/dbraw/zinc/28/39/97/564283997.db2.gz BJPWHFNYXRUYRH-OAHLLOKOSA-N 1 0 389.277 2.819 20 0 GFADRO COCC[N@H+](C)CCNC(=O)N1CCc2c(Br)cccc2[C@@H]1C ZINC000509168060 564284292 /nfs/dbraw/zinc/28/42/92/564284292.db2.gz NZHPMVXGWDFHIX-ZDUSSCGKSA-N 1 0 384.318 2.656 20 0 GFADRO O=C1CCCN1CC[N@H+]1CC[C@@H](Cc2cccc(I)c2)C1 ZINC000451189662 564285282 /nfs/dbraw/zinc/28/52/82/564285282.db2.gz JICNWUKNCUZIKU-HNNXBMFYSA-N 1 0 398.288 2.778 20 0 GFADRO CN(C)S(=O)(=O)CC[NH2+][C@@H](CC1CC1)c1cc(F)cc(Br)c1 ZINC000509182788 564285336 /nfs/dbraw/zinc/28/53/36/564285336.db2.gz VATDUISBGOTBGE-HNNXBMFYSA-N 1 0 393.322 2.910 20 0 GFADRO Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@H]2[NH2+]C[C@@](C)(O)C(F)(F)F)cc1 ZINC000541777709 564288958 /nfs/dbraw/zinc/28/89/58/564288958.db2.gz JQOHDHZNAXGMRA-BZUAXINKSA-N 1 0 379.444 2.983 20 0 GFADRO C[N@H+](C[C@H](O)COc1ccc(Cl)cc1Br)CC(C)(C)CO ZINC000451246572 564290881 /nfs/dbraw/zinc/29/08/81/564290881.db2.gz KGEGPJMMEOSNDC-LBPRGKRZSA-N 1 0 380.710 2.793 20 0 GFADRO O=C(NCCNc1cccc(Br)c1)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000541846147 564292529 /nfs/dbraw/zinc/29/25/29/564292529.db2.gz JLCLLRQLFJVQBJ-JKSUJKDBSA-N 1 0 381.318 2.787 20 0 GFADRO CN(Cc1nnnn1-c1ccccc1Br)C(C)(C)C[NH+]1CCCC1 ZINC000565707185 564293057 /nfs/dbraw/zinc/29/30/57/564293057.db2.gz IBCLZTKNDHVHGZ-UHFFFAOYSA-N 1 0 393.333 2.731 20 0 GFADRO Cc1[nH]c(=O)sc1S(=O)(=O)NCC[NH2+][C@@H](C)[C@H](C)C1CCCCC1 ZINC000474939819 564294750 /nfs/dbraw/zinc/29/47/50/564294750.db2.gz BRAQKLWPPRADLL-RYUDHWBXSA-N 1 0 375.560 2.630 20 0 GFADRO C[C@H]1CN(Cc2ccc(Br)cc2C(F)(F)F)CC[N@@H+]1CCO ZINC000474936699 564294843 /nfs/dbraw/zinc/29/48/43/564294843.db2.gz YYRUXVYVHUESFV-NSHDSACASA-N 1 0 381.236 2.966 20 0 GFADRO CC1CC[NH+](CCNC(=O)N[C@@H](CCO)c2ccccc2Br)CC1 ZINC000541964624 564296708 /nfs/dbraw/zinc/29/67/08/564296708.db2.gz MYLFNAWKEROBLE-KRWDZBQOSA-N 1 0 398.345 2.904 20 0 GFADRO CS(=O)(=O)N1CC[C@H](C[NH+]2CCC(c3nc(C(F)(F)F)cs3)CC2)C1 ZINC000451292642 564296854 /nfs/dbraw/zinc/29/68/54/564296854.db2.gz FAKRFMJPDAUQLK-LLVKDONJSA-N 1 0 397.488 2.623 20 0 GFADRO CC(C)[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)N1CC[N@H+](C)C[C@H]1C(C)C ZINC000509430551 564298446 /nfs/dbraw/zinc/29/84/46/564298446.db2.gz MDLJELNMRQPTLI-XJKSGUPXSA-N 1 0 385.961 2.955 20 0 GFADRO Ic1ccc(OCC[NH2+]Cc2cnc3cnccn23)cc1 ZINC000509431861 564298394 /nfs/dbraw/zinc/29/83/94/564298394.db2.gz WNIRGSHDTDFHCT-UHFFFAOYSA-N 1 0 394.216 2.503 20 0 GFADRO C[C@@H]1C[C@@H]([NH2+]CCOc2ccc(I)cc2)CN1C1CC1 ZINC000509439754 564299213 /nfs/dbraw/zinc/29/92/13/564299213.db2.gz PMDRIXGPJNRQAN-TZMCWYRMSA-N 1 0 386.277 2.885 20 0 GFADRO Fc1cc(Br)ccc1C[NH2+]CCc1nnnn1-c1ccccc1 ZINC000509444641 564299605 /nfs/dbraw/zinc/29/96/05/564299605.db2.gz SVWQJWZBEXFQCM-UHFFFAOYSA-N 1 0 376.233 2.896 20 0 GFADRO C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+][C@H]1CCCS(=O)(=O)C1 ZINC000542137882 564302132 /nfs/dbraw/zinc/30/21/32/564302132.db2.gz IATXCHFHDYPIIO-RYUDHWBXSA-N 1 0 378.416 2.589 20 0 GFADRO COC1(C(=O)NCCc2csc(-c3ccc(Cl)cc3)n2)CC[NH2+]CC1 ZINC000565954597 564303601 /nfs/dbraw/zinc/30/36/01/564303601.db2.gz SIZNFOBLEJZVHA-UHFFFAOYSA-N 1 0 379.913 2.891 20 0 GFADRO OC[C@@H]([NH2+]Cc1ccc(OC(F)(F)F)c(Br)c1)[C@@H]1CCCO1 ZINC000475225620 564303787 /nfs/dbraw/zinc/30/37/87/564303787.db2.gz WKIYFUKDXLRKQU-YPMHNXCESA-N 1 0 384.192 2.977 20 0 GFADRO O=C(NCCOc1ncc(Cl)cc1Cl)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000565999622 564305882 /nfs/dbraw/zinc/30/58/82/564305882.db2.gz OMBCZDMVLLZAHE-OLZOCXBDSA-N 1 0 387.311 2.798 20 0 GFADRO CCC[N@H+](C)[C@H](CNS(=O)(=O)c1ccnn1CC)c1ccc(Cl)cc1 ZINC000509617748 564306128 /nfs/dbraw/zinc/30/61/28/564306128.db2.gz MEWLDXCBIPBJKV-MRXNPFEDSA-N 1 0 384.933 2.918 20 0 GFADRO CC(=O)N1CCC[C@H](C[NH2+]Cc2cn(-c3cccc(Cl)c3Cl)nn2)C1 ZINC000475423666 564307520 /nfs/dbraw/zinc/30/75/20/564307520.db2.gz KXFRMMQPUVYPEV-CYBMUJFWSA-N 1 0 382.295 2.922 20 0 GFADRO C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)c1ncc(Br)cc1Br ZINC000566102359 564309825 /nfs/dbraw/zinc/30/98/25/564309825.db2.gz JZVHJMHOHKASJO-XLDPMVHQSA-N 1 0 391.107 2.723 20 0 GFADRO CN(C)[C@@]1(C[NH2+]CCC(=O)Nc2cccc(Br)c2)CCSC1 ZINC000566111020 564310518 /nfs/dbraw/zinc/31/05/18/564310518.db2.gz WEMYAOKSKVGIMP-MRXNPFEDSA-N 1 0 386.359 2.805 20 0 GFADRO Cc1cc(NC(=O)CC[NH2+][C@H]2CSc3ccc(Br)cc32)no1 ZINC000566124177 564311327 /nfs/dbraw/zinc/31/13/27/564311327.db2.gz UOJCOEQHCORBEU-LBPRGKRZSA-N 1 0 382.283 3.511 20 0 GFADRO Cc1nc2ccc(Br)cn2c1C(=O)N1CCC[N@@H+](C(C)C)CC1 ZINC000475600226 564313659 /nfs/dbraw/zinc/31/36/59/564313659.db2.gz GVIHVWJEZOETEO-UHFFFAOYSA-N 1 0 379.302 2.962 20 0 GFADRO CC(=O)N1CC[C@@H](C[N@@H+](C)Cc2cnc3c(C)cc(Br)cn23)C1 ZINC000542465665 564313981 /nfs/dbraw/zinc/31/39/81/564313981.db2.gz IEUVUUZCNANYFU-AWEZNQCLSA-N 1 0 379.302 2.705 20 0 GFADRO C[C@@H]([NH3+])C1CCN(C(=O)c2ncc(Br)cc2Br)CC1 ZINC000566199101 564316343 /nfs/dbraw/zinc/31/63/43/564316343.db2.gz LBTVTTWZORRCOM-MRVPVSSYSA-N 1 0 391.107 2.806 20 0 GFADRO C[NH2+][C@@H](C(=O)N(C)C[C@@H](C)Oc1ccc(Cl)c(Cl)c1)c1cnn(C)c1 ZINC000566196655 564316490 /nfs/dbraw/zinc/31/64/90/564316490.db2.gz UNMILCGUMWVEEO-BDJLRTHQSA-N 1 0 385.295 2.913 20 0 GFADRO O=C(N[C@@H]1C[NH2+]CCC1(F)F)[C@H]1C[C@@]12CCc1cc(Br)ccc12 ZINC000566211778 564316919 /nfs/dbraw/zinc/31/69/19/564316919.db2.gz KOTIKTIPXOLIGZ-IIAWOOMASA-N 1 0 385.252 2.766 20 0 GFADRO Cc1cc(S(=O)(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c(F)cc1Br ZINC000566223658 564317153 /nfs/dbraw/zinc/31/71/53/564317153.db2.gz IBKGYGPZOKEZHU-COPLHBTASA-N 1 0 391.306 2.645 20 0 GFADRO CC1(C)[C@H]([NH2+]C[C@H](O)COc2ccc(Br)cc2)[C@H]2CCCO[C@H]21 ZINC000451481573 564317784 /nfs/dbraw/zinc/31/77/84/564317784.db2.gz RSZQWVIKNUAYKI-RKTXRCNFSA-N 1 0 384.314 2.982 20 0 GFADRO O=S(=O)(c1ccc(Br)c(Cl)c1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000566224607 564317913 /nfs/dbraw/zinc/31/79/13/564317913.db2.gz URUTWBXJDSFWDD-PHIMTYICSA-N 1 0 393.734 2.723 20 0 GFADRO C[C@H]1OCC[C@H]1C(=O)Nc1ccc(CN2CC[NH+](C)CC2)c(Br)c1 ZINC000475747905 564318004 /nfs/dbraw/zinc/31/80/04/564318004.db2.gz FYJNMWGHVNDOLD-CZUORRHYSA-N 1 0 396.329 2.560 20 0 GFADRO Cc1ccc(C[C@H](CO)[NH2+]C[C@@H](O)COc2cccc(Br)c2)cc1 ZINC000566232092 564318346 /nfs/dbraw/zinc/31/83/46/564318346.db2.gz YNHMLPAGWZNFFX-QZTJIDSGSA-N 1 0 394.309 2.690 20 0 GFADRO C[C@H]1C[C@@H](C(=O)Nc2ccc(CN3CC[NH+](C)CC3)c(Br)c2)CO1 ZINC000475755107 564318474 /nfs/dbraw/zinc/31/84/74/564318474.db2.gz GKPXYDXYAAXZOZ-DZGCQCFKSA-N 1 0 396.329 2.560 20 0 GFADRO COC1CC[NH+](C2(CNC(=O)c3ncccc3Br)CCCC2)CC1 ZINC000475763492 564318624 /nfs/dbraw/zinc/31/86/24/564318624.db2.gz SORBHEWGXDORJS-UHFFFAOYSA-N 1 0 396.329 2.998 20 0 GFADRO CN1CC[NH+](CC2(C)CCN(Cc3ncc(Br)s3)CC2)CC1 ZINC000542689557 564321101 /nfs/dbraw/zinc/32/11/01/564321101.db2.gz KDYPMMIRYOBXQZ-UHFFFAOYSA-N 1 0 387.391 2.755 20 0 GFADRO CC(C)c1cc(Br)ccc1NC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000566294407 564321646 /nfs/dbraw/zinc/32/16/46/564321646.db2.gz ZFVHTXQKTDYZQJ-HNNXBMFYSA-N 1 0 382.302 2.769 20 0 GFADRO CO[C@H]1CC[N@H+](CC(=O)N(C)CCOc2ccc(Br)cc2)C[C@H]1C ZINC000451550657 564325007 /nfs/dbraw/zinc/32/50/07/564325007.db2.gz VKHBWFORRPMFTL-PBHICJAKSA-N 1 0 399.329 2.643 20 0 GFADRO CSc1ccc(NC(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)cc1Cl ZINC000475977065 564325336 /nfs/dbraw/zinc/32/53/36/564325336.db2.gz NMMHIIASBKZGMX-LBPRGKRZSA-N 1 0 384.933 2.771 20 0 GFADRO Cc1nc(C(=O)Nc2cc(C(N)=O)ccc2C[NH+](C)C)c(Br)s1 ZINC000566443906 564327658 /nfs/dbraw/zinc/32/76/58/564327658.db2.gz DRRHWQXCOBUSJW-UHFFFAOYSA-N 1 0 397.298 2.627 20 0 GFADRO Cc1cc(Br)cc(C(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])c1C ZINC000566507992 564330655 /nfs/dbraw/zinc/33/06/55/564330655.db2.gz PSNSKUQXMGGDOR-HNNXBMFYSA-N 1 0 396.329 2.526 20 0 GFADRO NC(=O)[C@H]([NH2+][C@@H]([C@H](CO)C1CC1)C1CC1)c1ccc(Br)cc1F ZINC000451606494 564331174 /nfs/dbraw/zinc/33/11/74/564331174.db2.gz LOYWKFKXRAESCM-FVQBIDKESA-N 1 0 385.277 2.501 20 0 GFADRO Cc1ncc(S(=O)(=O)NC[C@@H](NCc2ccccc2)c2ccco2)s1 ZINC000510419818 564333023 /nfs/dbraw/zinc/33/30/23/564333023.db2.gz ARAQHCCYFOEXBM-OAHLLOKOSA-N 1 0 377.491 2.854 20 0 GFADRO CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000510445355 564333968 /nfs/dbraw/zinc/33/39/68/564333968.db2.gz QBNCADOROQMIRV-AWEZNQCLSA-N 1 0 386.323 2.752 20 0 GFADRO CC(C)CCn1ccc(NC(=O)[C@@](C)([NH3+])c2ccc(Br)cc2)n1 ZINC000566618654 564335587 /nfs/dbraw/zinc/33/55/87/564335587.db2.gz YNOKFVFGJYUXOS-KRWDZBQOSA-N 1 0 379.302 3.504 20 0 GFADRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1S(=O)(=O)c1ccc(F)cc1Br ZINC000510504336 564336465 /nfs/dbraw/zinc/33/64/65/564336465.db2.gz YAQKFWZEEHSZNI-YPMHNXCESA-N 1 0 391.306 2.836 20 0 GFADRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1S(=O)(=O)c1ccc(OC(F)F)c(F)c1 ZINC000510517207 564336661 /nfs/dbraw/zinc/33/66/61/564336661.db2.gz HAAVSXVPOWWBLM-RYUDHWBXSA-N 1 0 378.416 2.674 20 0 GFADRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1S(=O)(=O)c1cc(F)ccc1Br ZINC000510522144 564336671 /nfs/dbraw/zinc/33/66/71/564336671.db2.gz GTXPXXOSTULPOK-WCQYABFASA-N 1 0 391.306 2.836 20 0 GFADRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1S(=O)(=O)c1ccc(Br)s1 ZINC000510503461 564336761 /nfs/dbraw/zinc/33/67/61/564336761.db2.gz UEWLEAIIQYPLPL-WDEREUQCSA-N 1 0 379.345 2.758 20 0 GFADRO CC(=O)c1cccc(OC[C@@H](O)C[NH2+]Cc2ccc(O)c(Br)c2)c1 ZINC000566673573 564338509 /nfs/dbraw/zinc/33/85/09/564338509.db2.gz REKQKAXCOSYOBB-HNNXBMFYSA-N 1 0 394.265 2.887 20 0 GFADRO C[C@H](NC(=O)NCC(=O)Nc1cc(Cl)ccc1Cl)C1=CC[N@H+](C)CC1 ZINC000510556735 564338482 /nfs/dbraw/zinc/33/84/82/564338482.db2.gz ZULMPRQZOTZQES-NSHDSACASA-N 1 0 385.295 2.882 20 0 GFADRO NC(=O)[C@@H](Cc1ccc(F)cc1)[NH2+]CCc1cc(Br)ccc1F ZINC000543164231 564340892 /nfs/dbraw/zinc/34/08/92/564340892.db2.gz WTYYLLRAQCNFNJ-MRXNPFEDSA-N 1 0 383.236 2.956 20 0 GFADRO O[C@H](COc1cccc(Br)c1)C[N@@H+]1CC[C@H]2C[C@H](O)CC[C@@H]2C1 ZINC000451716344 564342812 /nfs/dbraw/zinc/34/28/12/564342812.db2.gz UTPNEPGSPXXFIP-ABFRBSLYSA-N 1 0 384.314 2.672 20 0 GFADRO O=S(=O)(c1ccc(C[NH2+][C@H]2CCC[C@H]2CCCF)s1)N1CCOCC1 ZINC000510699593 564344203 /nfs/dbraw/zinc/34/42/03/564344203.db2.gz ZPGQFYOVGRKHQU-HOCLYGCPSA-N 1 0 390.546 2.777 20 0 GFADRO CN(C)S(=O)(=O)CC[NH2+][C@H]1CCc2c1cc(Br)cc2Cl ZINC000566826223 564344698 /nfs/dbraw/zinc/34/46/98/564344698.db2.gz HNAGYIYDHRDFFI-ZDUSSCGKSA-N 1 0 381.723 2.571 20 0 GFADRO CC[C@H]1C[N@H+](CC)CCN1CC(=O)N(C)Cc1cc(Br)cs1 ZINC000451732270 564345209 /nfs/dbraw/zinc/34/52/09/564345209.db2.gz SLWCOUXOXVERJL-AWEZNQCLSA-N 1 0 388.375 2.885 20 0 GFADRO O[C@H](C[NH2+]CCOC1CCCC1)COc1cc(F)cc(Br)c1 ZINC000566909408 564348894 /nfs/dbraw/zinc/34/88/94/564348894.db2.gz FJLJNVFTOXVSQR-CQSZACIVSA-N 1 0 376.266 2.877 20 0 GFADRO Cn1nccc1CC[N@H+](CCn1ccnc1)Cc1ccc(Br)o1 ZINC000510905170 564349252 /nfs/dbraw/zinc/34/92/52/564349252.db2.gz DLBYQCBIDTWKSV-UHFFFAOYSA-N 1 0 378.274 2.717 20 0 GFADRO COC(=O)C[C@@H]([NH2+]CC(=O)Nc1ccc(Br)cn1)C1CCCCC1 ZINC000543461023 564351276 /nfs/dbraw/zinc/35/12/76/564351276.db2.gz VDOHZRVCDNIEBS-CQSZACIVSA-N 1 0 398.301 2.884 20 0 GFADRO C[C@H]([NH2+]C[C@H](O)COc1ccc(Br)cc1)C(=O)N1CCCC[C@H]1C ZINC000566968695 564351787 /nfs/dbraw/zinc/35/17/87/564351787.db2.gz DUUDDQRCTQSAQD-YCPHGPKFSA-N 1 0 399.329 2.568 20 0 GFADRO CCOC[C@@H]1CCC[C@@H]1[NH2+]CCNS(=O)(=O)c1ccc(F)cc1Cl ZINC000510978040 564351933 /nfs/dbraw/zinc/35/19/33/564351933.db2.gz KPCYDIDXTCFWME-WFASDCNBSA-N 1 0 378.897 2.552 20 0 GFADRO CN(C)CC[N@H+](C)CCCNC(=O)CCc1cccc(F)c1Br ZINC000451797810 564353463 /nfs/dbraw/zinc/35/34/63/564353463.db2.gz RIPQGYDQFYROCK-UHFFFAOYSA-N 1 0 388.325 2.521 20 0 GFADRO C[C@@H](O)C[N@@H+]1CCN(C(=O)CCCc2ccc(Br)s2)[C@@H](C)C1 ZINC000476819077 564353729 /nfs/dbraw/zinc/35/37/29/564353729.db2.gz ACANPSKFVHJRTF-QWHCGFSZSA-N 1 0 389.359 2.747 20 0 GFADRO C[C@@H]([NH2+]CCCOC(F)F)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000511053891 564355104 /nfs/dbraw/zinc/35/51/04/564355104.db2.gz HIDINFWFWZNHLW-SSDOTTSWSA-N 1 0 377.240 2.921 20 0 GFADRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2c(Cl)cccc2S(C)(=O)=O)C1 ZINC000476840651 564355655 /nfs/dbraw/zinc/35/56/55/564355655.db2.gz CHSVLHMQXZGXTJ-ZIAGYGMSSA-N 1 0 386.945 2.841 20 0 GFADRO C[C@@H](c1ccc(OC(F)F)cc1)[N@@H+]1CCC[C@@H](CN(C)S(C)(=O)=O)C1 ZINC000511082618 564356929 /nfs/dbraw/zinc/35/69/29/564356929.db2.gz TXDYNVUPFLGGTG-KBPBESRZSA-N 1 0 376.469 2.952 20 0 GFADRO CC(C)[N@H+](C)C[C@H](C)NC(=O)c1ccc(I)cc1F ZINC000451840646 564358113 /nfs/dbraw/zinc/35/81/13/564358113.db2.gz KTTAFCCNOSJNOD-JTQLQIEISA-N 1 0 378.229 2.889 20 0 GFADRO Cc1cc(CN2CCC[C@H](CN(C)S(C)(=O)=O)C2)ccc1Br ZINC000511125263 564358744 /nfs/dbraw/zinc/35/87/44/564358744.db2.gz VFELXKCVKRFIGN-OAHLLOKOSA-N 1 0 389.359 2.861 20 0 GFADRO O=C(NCc1ccc(Cl)cc1Cl)C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000567144891 564359364 /nfs/dbraw/zinc/35/93/64/564359364.db2.gz PNDQDDGPRCBQME-AWEZNQCLSA-N 1 0 384.307 2.743 20 0 GFADRO CCN1CCN(S(=O)(=O)c2cccc(Cl)c2Br)[C@@H](C)C1 ZINC000511225253 564363225 /nfs/dbraw/zinc/36/32/25/564363225.db2.gz SAAYAKIIAJUYBH-JTQLQIEISA-N 1 0 381.723 2.817 20 0 GFADRO CCN1CCN(S(=O)(=O)c2ccc(Cl)cc2Br)[C@@H](C)C1 ZINC000511272344 564365024 /nfs/dbraw/zinc/36/50/24/564365024.db2.gz PAKLZYDYLFNYKB-JTQLQIEISA-N 1 0 381.723 2.817 20 0 GFADRO CS[C@H]1CN(S(=O)(=O)c2cc(F)ccc2Cl)C[C@H]1[NH+]1CCCC1 ZINC000477134431 564366340 /nfs/dbraw/zinc/36/63/40/564366340.db2.gz GRCRUXBMLIEHAZ-KGLIPLIRSA-N 1 0 378.922 2.679 20 0 GFADRO Cn1ccnc1[C@@H](NS(=O)(=O)c1cc(Br)ccc1F)C1CC1 ZINC000511299857 564366376 /nfs/dbraw/zinc/36/63/76/564366376.db2.gz IWJUMCILDYZUQE-ZDUSSCGKSA-N 1 0 388.262 2.751 20 0 GFADRO Cc1ccc(OC[C@H](O)C[NH2+]Cc2ccc(S(C)(=O)=O)c(Cl)c2)cc1 ZINC000567379011 564368668 /nfs/dbraw/zinc/36/86/68/564368668.db2.gz ZKKHMPXLDJZHJY-OAHLLOKOSA-N 1 0 383.897 2.581 20 0 GFADRO COc1cc(I)c(Cl)cc1C[NH2+]CC1(O)CCC1 ZINC000567378492 564368780 /nfs/dbraw/zinc/36/87/80/564368780.db2.gz HEJDNBFUHYDNKV-UHFFFAOYSA-N 1 0 381.641 2.958 20 0 GFADRO C[C@@H](CC[NH3+])NC(=O)c1ccc(NC(=O)c2ccc(Br)o2)cc1 ZINC000477185109 564369144 /nfs/dbraw/zinc/36/91/44/564369144.db2.gz FPOQXQMJDLPCES-JTQLQIEISA-N 1 0 380.242 2.762 20 0 GFADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)NCc3cc(F)c(F)cc3Br)[C@H]2C1 ZINC000511358734 564369298 /nfs/dbraw/zinc/36/92/98/564369298.db2.gz HBWRKEWOPNGKNJ-BMIGLBTASA-N 1 0 388.256 2.963 20 0 GFADRO C[C@@H]([NH2+]C1CC1)C(=O)NC1CCN(Cc2ccc(Br)cc2)CC1 ZINC000567383261 564369300 /nfs/dbraw/zinc/36/93/00/564369300.db2.gz UTKBCQMZQCHHQM-CYBMUJFWSA-N 1 0 380.330 2.670 20 0 GFADRO CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+]C[C@@H](CO)Cc2c(F)cccc2Cl)C1 ZINC000511431304 564372730 /nfs/dbraw/zinc/37/27/30/564372730.db2.gz RNDZWIFZSAXAQP-MELADBBJSA-N 1 0 377.909 2.576 20 0 GFADRO C[C@@H](CC[NH3+])NC(=O)c1cccc(NC(=O)c2ccc(Br)o2)c1 ZINC000477323075 564373280 /nfs/dbraw/zinc/37/32/80/564373280.db2.gz XQMWHSCRSLOMHO-JTQLQIEISA-N 1 0 380.242 2.762 20 0 GFADRO CN(Cc1ccccc1)C(=O)C[NH2+][C@@](C)(CO)c1ccc(Br)cc1 ZINC000511548700 564375515 /nfs/dbraw/zinc/37/55/15/564375515.db2.gz ZSAHHAHJZCMXFK-IBGZPJMESA-N 1 0 391.309 2.905 20 0 GFADRO C[N@H+](CCCOc1cccc(I)c1)[C@@H]1CCC[C@H]1O ZINC000511626339 564377293 /nfs/dbraw/zinc/37/72/93/564377293.db2.gz UHPLOVNHXZZBNH-HUUCEWRRSA-N 1 0 375.250 2.905 20 0 GFADRO CO[C@@H]1[C@H]2C[C@H]3C[N@H+](CC(=O)N(C)Cc4cc(Br)cs4)[C@H]1[C@H]3C2 ZINC000511624246 564377574 /nfs/dbraw/zinc/37/75/74/564377574.db2.gz BOBHXLJRLCPFBG-OUHDEPDCSA-N 1 0 399.354 2.824 20 0 GFADRO O=C([C@H]1C[N@@H+]2CCN1CCC2)N1CC=C(c2ccc(Cl)c(Cl)c2)CC1 ZINC000511668400 564379377 /nfs/dbraw/zinc/37/93/77/564379377.db2.gz VYGJOZJPDSOTSZ-GOSISDBHSA-N 1 0 380.319 2.999 20 0 GFADRO CS(=O)(=O)N1CC[C@H]([NH2+][C@@H](Cc2cccnc2)c2cccc(Cl)c2)C1 ZINC000567619192 564380668 /nfs/dbraw/zinc/38/06/68/564380668.db2.gz QJQCQFQRQTZORI-ROUUACIJSA-N 1 0 379.913 2.642 20 0 GFADRO C[NH+](C)CCCCNC(=O)[C@@H](c1cc(Cl)cc(Cl)c1)N1CCOCC1 ZINC000511852027 564384004 /nfs/dbraw/zinc/38/40/04/564384004.db2.gz OFACUDCVEQHFCQ-QGZVFWFLSA-N 1 0 388.339 2.825 20 0 GFADRO O=C1COc2ccc(C[NH2+][C@@H](CO)c3ccc(Br)cc3)cc2N1 ZINC000511860738 564384409 /nfs/dbraw/zinc/38/44/09/564384409.db2.gz RERJYIITTGFENC-HNNXBMFYSA-N 1 0 377.238 2.603 20 0 GFADRO CS[C@@H]1CN(C(=O)c2cnc(Cc3ccccc3F)s2)C[C@H]1[NH+](C)C ZINC000477711260 564384957 /nfs/dbraw/zinc/38/49/57/564384957.db2.gz IQSCGRDTCRCXNL-GDBMZVCRSA-N 1 0 379.526 2.991 20 0 GFADRO CC[NH+](CC)CCN(Cc1nc(=O)n(C)[nH]1)Cc1ccc(Cl)c(Cl)c1 ZINC000544393697 564385227 /nfs/dbraw/zinc/38/52/27/564385227.db2.gz AWXXVFROWTXKIA-UHFFFAOYSA-N 1 0 386.327 2.759 20 0 GFADRO Cn1nc(CC[NH2+]Cc2ncc(I)s2)c2ccccc21 ZINC000511925148 564385855 /nfs/dbraw/zinc/38/58/55/564385855.db2.gz GMZGLTBBTDTMRI-UHFFFAOYSA-N 1 0 398.273 2.967 20 0 GFADRO CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)NCCNc1ncc(C(F)(F)F)cc1Cl ZINC000567775257 564387443 /nfs/dbraw/zinc/38/74/43/564387443.db2.gz FWTRBTLCNLUAIF-AAEUAGOBSA-N 1 0 378.826 2.916 20 0 GFADRO Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)[NH2+]CCN1CCCS1(=O)=O ZINC000544483529 564387689 /nfs/dbraw/zinc/38/76/89/564387689.db2.gz MADYRVUZSAYBCI-LBPRGKRZSA-N 1 0 383.514 2.944 20 0 GFADRO Cc1ccc(I)cc1C(=O)N[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000477778751 564387794 /nfs/dbraw/zinc/38/77/94/564387794.db2.gz INTLYOZDHLDGFX-ABAIWWIYSA-N 1 0 384.261 2.812 20 0 GFADRO CC1(C)CCC[N@@H+]1CCNS(=O)(=O)Cc1cccc(Br)c1 ZINC000452080146 564389563 /nfs/dbraw/zinc/38/95/63/564389563.db2.gz BGNQNKFPAORJFY-UHFFFAOYSA-N 1 0 375.332 2.743 20 0 GFADRO C[C@@H](Cn1cc(Br)cn1)[NH2+]C[C@@H](CO)Cc1ccc(F)c(F)c1 ZINC000477930985 564390419 /nfs/dbraw/zinc/39/04/19/564390419.db2.gz BWOWASVBQNFPOF-AAEUAGOBSA-N 1 0 388.256 2.753 20 0 GFADRO CCOCCOC[C@H](O)C[NH2+][C@H]1CCCOc2c(Br)cccc21 ZINC000477921775 564390972 /nfs/dbraw/zinc/39/09/72/564390972.db2.gz OZASGSIYYMQCBM-CJNGLKHVSA-N 1 0 388.302 2.666 20 0 GFADRO Cc1cc(Br)cc2cc(C(=O)NCCCN3CC[NH2+]CC3)oc21 ZINC000567824529 564391165 /nfs/dbraw/zinc/39/11/65/564391165.db2.gz WUCGSQDLJFYLNN-UHFFFAOYSA-N 1 0 380.286 2.529 20 0 GFADRO C[C@@H]1CCC[C@](CNC(=O)C(=O)N(C)Cc2ccc(Cl)s2)([NH+](C)C)C1 ZINC000477983250 564392272 /nfs/dbraw/zinc/39/22/72/564392272.db2.gz AOQPEXOOABIKJN-ACJLOTCBSA-N 1 0 385.961 2.987 20 0 GFADRO CCc1csc(=O)n1CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000567860307 564392498 /nfs/dbraw/zinc/39/24/98/564392498.db2.gz HAGSTIRBZXMZAM-UHFFFAOYSA-N 1 0 377.535 2.660 20 0 GFADRO Cc1ccc(Br)c(S(=O)(=O)N(C)[C@@H]2CC[N@@H+](C(C)C)C2)c1 ZINC000452103588 564392883 /nfs/dbraw/zinc/39/28/83/564392883.db2.gz KWXFOPAJNAWAFQ-CYBMUJFWSA-N 1 0 375.332 2.861 20 0 GFADRO C[N@H+](C[C@H](O)COCc1cccs1)C1CCN(CCC(F)(F)F)CC1 ZINC000452121958 564394693 /nfs/dbraw/zinc/39/46/93/564394693.db2.gz UCBSDLFQZAAOKK-HNNXBMFYSA-N 1 0 380.476 2.974 20 0 GFADRO CS[C@@H]1CN(C(=O)[C@@H]2COc3ccc(Cl)cc3C2)C[C@@H]1[NH+]1CCCC1 ZINC000544687463 564394772 /nfs/dbraw/zinc/39/47/72/564394772.db2.gz XNAKUKRDGMGJLE-QILLFSRXSA-N 1 0 380.941 2.929 20 0 GFADRO C[N@@H+]1CC[C@]2(CCN(C(=O)c3ccccc3-n3cc(Br)cn3)C2)C1 ZINC000452126327 564395450 /nfs/dbraw/zinc/39/54/50/564395450.db2.gz QNIXMAZDSOHVSJ-SFHVURJKSA-N 1 0 389.297 2.803 20 0 GFADRO O=C(CN1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)Nc1ccc(Br)cc1F ZINC000567894675 564395887 /nfs/dbraw/zinc/39/58/87/564395887.db2.gz NLQWBBWUJOYTMI-CHWSQXEVSA-N 1 0 384.293 2.848 20 0 GFADRO O=C(c1cc(=O)c2cc(Br)ccc2[nH]1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000567914862 564396134 /nfs/dbraw/zinc/39/61/34/564396134.db2.gz VOZMOWRVTYFRTM-SFHVURJKSA-N 1 0 390.281 2.506 20 0 GFADRO CCC[C@@]1([NH2+]C[C@H](O)COc2cc(F)cc(Br)c2)CCOC1 ZINC000512287886 564397014 /nfs/dbraw/zinc/39/70/14/564397014.db2.gz WIATWNXOVHEPRG-GOEBONIOSA-N 1 0 376.266 2.877 20 0 GFADRO CCc1ccc(C[NH2+]CC(=O)Nc2ccc(I)cc2)cn1 ZINC000512354872 564398893 /nfs/dbraw/zinc/39/88/93/564398893.db2.gz MEKYXUVNFLMSEM-UHFFFAOYSA-N 1 0 395.244 2.977 20 0 GFADRO O=C(N[C@@H](CO)C[NH+]1CCCCC1)c1cc2cc(Br)ccc2o1 ZINC000512365186 564399965 /nfs/dbraw/zinc/39/99/65/564399965.db2.gz UBOKPLOWBFRWEZ-CQSZACIVSA-N 1 0 381.270 2.772 20 0 GFADRO O=S(=O)(NCCC[C@H]1CCC[NH2+]1)c1cc(Br)sc1Cl ZINC000568390943 564416593 /nfs/dbraw/zinc/41/65/93/564416593.db2.gz SQLXHONZMQVYCI-MRVPVSSYSA-N 1 0 387.752 2.975 20 0 GFADRO C[C@@H]([NH3+])[C@H](C)NC(=O)c1ccc(I)c(Br)c1 ZINC000568087174 564404632 /nfs/dbraw/zinc/40/46/32/564404632.db2.gz UCTHJCMQDCGJGQ-RQJHMYQMSA-N 1 0 397.054 2.519 20 0 GFADRO COc1cc(I)ccc1NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000452346525 564406982 /nfs/dbraw/zinc/40/69/82/564406982.db2.gz GTMPKZQFWDOKPM-QWRGUYRKSA-N 1 0 388.249 2.969 20 0 GFADRO CC1CC[NH+](C[C@@H](O)CNC(=O)c2ccc(Cl)c(Br)c2)CC1 ZINC000512627976 564407437 /nfs/dbraw/zinc/40/74/37/564407437.db2.gz CCLMWXOOTMIIOJ-ZDUSSCGKSA-N 1 0 389.721 2.925 20 0 GFADRO CC[C@H](CSC)NC(=O)C(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000512737877 564409481 /nfs/dbraw/zinc/40/94/81/564409481.db2.gz BPGWRMXQGBTMRM-LZWOXQAQSA-N 1 0 383.583 2.505 20 0 GFADRO C[N@@H+]1CC[C@](O)(CNC(=O)c2csc(-c3ccc(Cl)cc3Cl)n2)C1 ZINC000545155068 564410299 /nfs/dbraw/zinc/41/02/99/564410299.db2.gz FLADSDWPLFHDDH-INIZCTEOSA-N 1 0 386.304 2.913 20 0 GFADRO CC(C)Oc1cc(Br)ccc1C(=O)NC[C@H]1CCCC[N@@H+]1CCO ZINC000452385154 564411342 /nfs/dbraw/zinc/41/13/42/564411342.db2.gz CTKCMUDLVHALQU-OAHLLOKOSA-N 1 0 399.329 2.813 20 0 GFADRO O=C(NC[C@@H]1CCCC[N@H+]1CCO)c1cc2c(cc(Br)cc2F)[nH]1 ZINC000452389200 564412627 /nfs/dbraw/zinc/41/26/27/564412627.db2.gz LMYJSIGBRCZVMW-LBPRGKRZSA-N 1 0 398.276 2.646 20 0 GFADRO Cc1ccc(OC(F)F)c(C[NH2+]C[C@@H]2CCCC[C@@H]2NS(C)(=O)=O)c1 ZINC000512850560 564413549 /nfs/dbraw/zinc/41/35/49/564413549.db2.gz JRAPKTFQQKFQSZ-ZFWWWQNUSA-N 1 0 376.469 2.794 20 0 GFADRO O=C(NCc1cc2cc(Br)ccc2[nH]1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000545227197 564414197 /nfs/dbraw/zinc/41/41/97/564414197.db2.gz QNGVNDVZBYNERG-ZDUSSCGKSA-N 1 0 377.286 2.966 20 0 GFADRO CC(=O)c1cc(Br)ccc1OCC(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000512960563 564416741 /nfs/dbraw/zinc/41/67/41/564416741.db2.gz BRWKKLHMZVMPHF-AWEZNQCLSA-N 1 0 397.313 2.831 20 0 GFADRO Fc1cc(C[NH2+]C[C@@H](N2CCOCC2)C(F)(F)F)ccc1Br ZINC000513022427 564417788 /nfs/dbraw/zinc/41/77/88/564417788.db2.gz UYFVALQWRJSZLD-CYBMUJFWSA-N 1 0 385.199 2.941 20 0 GFADRO Cc1cc(Cl)ccc1S(=O)(=O)NCC[NH2+]Cc1cnn(C(C)(C)C)c1 ZINC000513018072 564418145 /nfs/dbraw/zinc/41/81/45/564418145.db2.gz VVZASIPYIZWFJE-UHFFFAOYSA-N 1 0 384.933 2.668 20 0 GFADRO Cc1ccc(CN(C[C@@H]2CCCO2)C(=O)N[C@H]2CC[NH2+]C2)c(Br)c1 ZINC000568415967 564418455 /nfs/dbraw/zinc/41/84/55/564418455.db2.gz JFUHLYSZVPGWSC-HOTGVXAUSA-N 1 0 396.329 2.810 20 0 GFADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CSCc2ncc(Cl)s2)C1 ZINC000478922188 564419117 /nfs/dbraw/zinc/41/91/17/564419117.db2.gz WUOMZVJYSYPCCP-GFCCVEGCSA-N 1 0 377.963 2.503 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000478958357 564419995 /nfs/dbraw/zinc/41/99/95/564419995.db2.gz RXCMXKCUDWBKSE-ZBEGNZNMSA-N 1 0 394.313 2.549 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000478966875 564420854 /nfs/dbraw/zinc/42/08/54/564420854.db2.gz UVBDZISKRMQZHS-LSDHHAIUSA-N 1 0 396.329 2.939 20 0 GFADRO Cc1cc(Br)cc(Cl)c1NC(=O)C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000568487536 564421303 /nfs/dbraw/zinc/42/13/03/564421303.db2.gz OPZGGTLWGIPETH-JTQLQIEISA-N 1 0 388.693 2.547 20 0 GFADRO C[C@H](N[C@H]1CC[N@@H+](C2CC2)C1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000479079509 564424705 /nfs/dbraw/zinc/42/47/05/564424705.db2.gz QIJLROYYKNELGW-UWVGGRQHSA-N 1 0 378.325 2.528 20 0 GFADRO Cc1csc(Sc2ccc(NC(=O)C(=O)N[C@@H](C)C[C@@H](C)[NH3+])cc2)n1 ZINC000568628081 564428050 /nfs/dbraw/zinc/42/80/50/564428050.db2.gz LPMVKBGURHQUPW-MNOVXSKESA-N 1 0 378.523 2.783 20 0 GFADRO NCC(F)(F)CC(=O)N1CCC[C@@H]1C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000568776431 564434136 /nfs/dbraw/zinc/43/41/36/564434136.db2.gz GFEKBTSWMPVDTD-GFCCVEGCSA-N 1 0 380.222 2.907 20 0 GFADRO CCOc1cc(Br)ccc1NC(=O)N[C@H]1CC[N@H+](CCOC)C1 ZINC000479281789 564434703 /nfs/dbraw/zinc/43/47/03/564434703.db2.gz LJXZHJVCYDMJSH-ZDUSSCGKSA-N 1 0 386.290 2.690 20 0 GFADRO C[NH+](C)CCOCCNC(=O)c1ccc(Br)c(OC(F)(F)F)c1 ZINC000513648519 564435992 /nfs/dbraw/zinc/43/59/92/564435992.db2.gz QWHNFYZRXQYEAY-UHFFFAOYSA-N 1 0 399.207 2.656 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)NCc2cc(Br)cc3c2OCC3)CC[N@@H+]1C ZINC000545901018 564436466 /nfs/dbraw/zinc/43/64/66/564436466.db2.gz FXRTWPNHWAFUHT-ABAIWWIYSA-N 1 0 382.302 2.666 20 0 GFADRO Cc1c(Br)cccc1CC(=O)Nc1ccc(=O)n(CC[NH+](C)C)c1 ZINC000479367869 564437080 /nfs/dbraw/zinc/43/70/80/564437080.db2.gz PSTFOGPZKHSLJE-UHFFFAOYSA-N 1 0 392.297 2.662 20 0 GFADRO C[C@@H]([NH2+]C[C@H](O)COc1ccc2c(c1)OCO2)c1ccc(Br)cn1 ZINC000479355138 564437367 /nfs/dbraw/zinc/43/73/67/564437367.db2.gz DBZWMQZPLDPQHX-YPMHNXCESA-N 1 0 395.253 2.663 20 0 GFADRO CCS(=O)(=O)c1c(Cl)cccc1C[NH2+][C@H]1CCOC2(CCOCC2)C1 ZINC000479456575 564440895 /nfs/dbraw/zinc/44/08/95/564440895.db2.gz QAJHYTWKIMMYDY-HNNXBMFYSA-N 1 0 387.929 2.951 20 0 GFADRO C[C@H](NC(=O)CNC(=O)c1sc2ccccc2c1Cl)[C@@H]1CCC[NH2+]C1 ZINC000568982679 564443414 /nfs/dbraw/zinc/44/34/14/564443414.db2.gz IRJWCBVNSVAQEN-NWDGAFQWSA-N 1 0 379.913 2.789 20 0 GFADRO C[C@@H]1COCC[N@H+](C[C@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000513978660 564444247 /nfs/dbraw/zinc/44/42/47/564444247.db2.gz QDGFMHZOJYDZGA-AAEUAGOBSA-N 1 0 378.694 2.811 20 0 GFADRO O=C(NCCOc1ccc(Br)cc1)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000514048980 564444879 /nfs/dbraw/zinc/44/48/79/564444879.db2.gz HQPLJTGCXPSIRZ-LSDHHAIUSA-N 1 0 382.302 2.754 20 0 GFADRO COc1cc(Cl)c(C[NH2+]CCN2C(=O)NC3(CCCC3)C2=O)cc1Cl ZINC000479603745 564445630 /nfs/dbraw/zinc/44/56/30/564445630.db2.gz SZVANXWZNVIBPV-UHFFFAOYSA-N 1 0 386.279 2.956 20 0 GFADRO CN1CCN(C(=O)CC[NH2+]C2(c3ccc(Br)cc3)CCC2)CC1 ZINC000514091930 564446026 /nfs/dbraw/zinc/44/60/26/564446026.db2.gz ZSWLHYSHXNIEOP-UHFFFAOYSA-N 1 0 380.330 2.582 20 0 GFADRO CC[NH+]1CCN(CC(=O)NC2(c3ccc(Br)cc3)CCCC2)CC1 ZINC000514066204 564446088 /nfs/dbraw/zinc/44/60/88/564446088.db2.gz MWSXGIYGXHUDHW-UHFFFAOYSA-N 1 0 394.357 2.972 20 0 GFADRO C[C@@H]([NH2+][C@@H]1CCC(=O)N(C)C1)c1ccc(F)c(I)c1 ZINC000453106823 564446435 /nfs/dbraw/zinc/44/64/35/564446435.db2.gz FOFMFNGHPOQOBH-MWLCHTKSSA-N 1 0 376.213 2.702 20 0 GFADRO C[C@@H]([NH2+]CCCS(C)(=O)=O)c1ccc(F)c(I)c1 ZINC000453103434 564446604 /nfs/dbraw/zinc/44/66/04/564446604.db2.gz CHGRTCJLJHICIR-SECBINFHSA-N 1 0 385.242 2.516 20 0 GFADRO CC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2ccc(F)c(I)c2)C1 ZINC000453148782 564448600 /nfs/dbraw/zinc/44/86/00/564448600.db2.gz PWGJTMLXVJYQCQ-JOYOIKCWSA-N 1 0 376.213 2.702 20 0 GFADRO O=C(c1cnn([C@@H]2CCC[NH2+]C2)c1)N1CCc2c(Br)cccc2C1 ZINC000569093359 564449194 /nfs/dbraw/zinc/44/91/94/564449194.db2.gz KKZVCQXYWGSXAF-OAHLLOKOSA-N 1 0 389.297 2.769 20 0 GFADRO CO[C@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000569093642 564449241 /nfs/dbraw/zinc/44/92/41/564449241.db2.gz ISNSUTYHQDFCMQ-WWGRRREGSA-N 1 0 384.318 2.905 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C)c1ccc(F)c(I)c1 ZINC000453208418 564449589 /nfs/dbraw/zinc/44/95/89/564449589.db2.gz HEUIDHDSAFNWBO-MWODSPESSA-N 1 0 376.213 2.748 20 0 GFADRO C[C@@H]([NH2+][C@@H](C)c1ccc(F)c(I)c1)C(=O)NCCF ZINC000453205020 564449956 /nfs/dbraw/zinc/44/99/56/564449956.db2.gz COTQAFLMBIRYGK-DTWKUNHWSA-N 1 0 382.192 2.555 20 0 GFADRO C[C@@H](CCCCO)[NH2+][C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000453278231 564451921 /nfs/dbraw/zinc/45/19/21/564451921.db2.gz CECHQBBLSKYUOM-FZMZJTMJSA-N 1 0 376.316 2.808 20 0 GFADRO COc1cc(CNC(=O)N(C2CC2)[C@H]2CC[NH2+]C2)cc(Br)c1OC ZINC000514662251 564452320 /nfs/dbraw/zinc/45/23/20/564452320.db2.gz BXKRMXHPFQCSPO-ZDUSSCGKSA-N 1 0 398.301 2.502 20 0 GFADRO C[C@H](CC(C)(C)O)[NH2+][C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000453308215 564453123 /nfs/dbraw/zinc/45/31/23/564453123.db2.gz DGAZPSVJQPQKOB-ZWNOBZJWSA-N 1 0 376.316 2.807 20 0 GFADRO C[C@H](NCc1nn(C)cc1Br)c1ccc(OCC[NH+](C)C)cc1 ZINC000453312551 564453159 /nfs/dbraw/zinc/45/31/59/564453159.db2.gz VDBACZHTHFSVQK-ZDUSSCGKSA-N 1 0 381.318 2.974 20 0 GFADRO Cc1nn(Cc2cccc(Br)c2)c(C)c1C(=O)N[C@H](C)[C@H](C)[NH3+] ZINC000514672576 564453417 /nfs/dbraw/zinc/45/34/17/564453417.db2.gz RXECLMGZQBBNME-WDEREUQCSA-N 1 0 379.302 2.776 20 0 GFADRO CC[NH2+]CCCNC(=O)C(=O)N[C@H](c1ccsc1)c1ccc(Cl)cc1 ZINC000569204454 564453603 /nfs/dbraw/zinc/45/36/03/564453603.db2.gz PWXHLTNLKYBSMZ-INIZCTEOSA-N 1 0 379.913 2.723 20 0 GFADRO O=C(Nc1ccn(-c2ccc(Cl)cc2Cl)n1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000569211300 564453826 /nfs/dbraw/zinc/45/38/26/564453826.db2.gz JZPWHFZCRUQHIE-ZDUSSCGKSA-N 1 0 380.279 3.537 20 0 GFADRO CCC(C)(C)OCC[NH2+][C@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000453416655 564457276 /nfs/dbraw/zinc/45/72/76/564457276.db2.gz UYLPYVDPYTXOAN-LLVKDONJSA-N 1 0 393.347 2.952 20 0 GFADRO CC[N@H+]1C[C@@H](C)N(C(=O)c2cccc(F)c2I)[C@@H](C)C1 ZINC000569286859 564457307 /nfs/dbraw/zinc/45/73/07/564457307.db2.gz LDAFQVYDPKRNSH-PHIMTYICSA-N 1 0 390.240 2.985 20 0 GFADRO Cc1ccc(CC[NH2+][C@@H](C)c2ccc(Br)c(S(N)(=O)=O)c2)nc1 ZINC000453430868 564457642 /nfs/dbraw/zinc/45/76/42/564457642.db2.gz RAXSZHFHHNWPFE-LBPRGKRZSA-N 1 0 398.326 2.693 20 0 GFADRO Cc1cc(Br)c(C[NH2+]CCNS(=O)(=O)c2cccs2)s1 ZINC000453576571 564457846 /nfs/dbraw/zinc/45/78/46/564457846.db2.gz VWQQTSXFTFBPOZ-UHFFFAOYSA-N 1 0 395.369 2.949 20 0 GFADRO Clc1cccc(N2CC[NH+](C3CCN(Cc4csnn4)CC3)CC2)c1 ZINC000453577598 564458522 /nfs/dbraw/zinc/45/85/22/564458522.db2.gz SYMFXKDAFOUORM-UHFFFAOYSA-N 1 0 377.945 2.978 20 0 GFADRO C[N@@H+]1CCC[C@H](CNS(=O)(=O)Cc2cc(Cl)ccc2Br)C1 ZINC000569335211 564459385 /nfs/dbraw/zinc/45/93/85/564459385.db2.gz LBPZGDOYEIGSHV-LLVKDONJSA-N 1 0 395.750 2.864 20 0 GFADRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1c1ncnc2cccc(I)c21 ZINC000546582964 564459982 /nfs/dbraw/zinc/45/99/82/564459982.db2.gz HVCOKKKXOKYBOG-GHMZBOCLSA-N 1 0 382.249 2.763 20 0 GFADRO CCc1ncc(S(=O)(=O)N[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC000546598063 564461420 /nfs/dbraw/zinc/46/14/20/564461420.db2.gz IULQNIGMDPLBOT-ZBFHGGJFSA-N 1 0 379.551 2.894 20 0 GFADRO CCC[NH+](CCC)CCCNC(=O)C(=O)Nc1cc(Br)cnc1C ZINC000453635562 564461444 /nfs/dbraw/zinc/46/14/44/564461444.db2.gz LIIWTKWXRRDBLE-UHFFFAOYSA-N 1 0 399.333 2.719 20 0 GFADRO C[NH+](C)CC(C)(C)CNC(=O)C(=O)Nc1cc(Cl)cc(Br)c1 ZINC000453644728 564461845 /nfs/dbraw/zinc/46/18/45/564461845.db2.gz NIBVLVHHMJPJBA-UHFFFAOYSA-N 1 0 390.709 2.745 20 0 GFADRO CC[C@H](CCO)C[NH2+][C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000480166026 564461940 /nfs/dbraw/zinc/46/19/40/564461940.db2.gz QJJUOXLDJYROIG-RISCZKNCSA-N 1 0 376.316 2.666 20 0 GFADRO O=S1(=O)CC[C@H]([NH2+]C[C@H]2CCC[C@H](O)C2)c2cc(Br)ccc21 ZINC000480197592 564463026 /nfs/dbraw/zinc/46/30/26/564463026.db2.gz LXMTWNCYHIAQMY-WHOFXGATSA-N 1 0 388.327 2.808 20 0 GFADRO COc1cc(C[NH2+][C@@H](C)[C@@H]2CCOC2)cc(I)c1OC ZINC000546667371 564464286 /nfs/dbraw/zinc/46/42/86/564464286.db2.gz JDJUMLCKRHVENV-CMPLNLGQSA-N 1 0 391.249 2.823 20 0 GFADRO C[C@H](CC[NH+](C)C)NC(=O)c1ccc2cc(I)ccc2n1 ZINC000480202087 564464350 /nfs/dbraw/zinc/46/43/50/564464350.db2.gz RWDMABGAGZQOPE-LLVKDONJSA-N 1 0 397.260 2.909 20 0 GFADRO C[C@H]1CCCC[N@@H+]1CCNCc1cn(-c2ccccc2Br)nn1 ZINC000514977128 564465096 /nfs/dbraw/zinc/46/50/96/564465096.db2.gz VOGZEVMGUOTLLR-AWEZNQCLSA-N 1 0 378.318 2.994 20 0 GFADRO CC(C)[N@H+](C)C[C@H](C)NC(=O)C(=O)Nc1cc(F)cc(F)c1Br ZINC000515007464 564465688 /nfs/dbraw/zinc/46/56/88/564465688.db2.gz NTYJOMPDDHRJGS-VIFPVBQESA-N 1 0 392.244 2.511 20 0 GFADRO [NH3+]C1(c2noc(-c3cccnc3-n3cc(Br)cn3)n2)CCCC1 ZINC000569483140 564465956 /nfs/dbraw/zinc/46/59/56/564465956.db2.gz HFIBIGBWQPVRKT-UHFFFAOYSA-N 1 0 375.230 2.808 20 0 GFADRO CN(C)C(=O)C(C)(C)[NH2+]Cc1ccc(I)c(Cl)c1 ZINC000515031399 564466956 /nfs/dbraw/zinc/46/69/56/564466956.db2.gz HMQDUPJODBNLIG-UHFFFAOYSA-N 1 0 380.657 2.901 20 0 GFADRO C[C@@H]1CN(C[C@H](O)C[NH2+]CCOCc2ccc(Cl)cc2Cl)C[C@@H](C)O1 ZINC000515054709 564467161 /nfs/dbraw/zinc/46/71/61/564467161.db2.gz MRWBUUDXIGRDHG-CKEIUWERSA-N 1 0 391.339 2.570 20 0 GFADRO CSc1ccc([C@H](CNC(=O)Nc2nnc(C3CC3)s2)[NH+](C)C)cc1 ZINC000569547028 564468118 /nfs/dbraw/zinc/46/81/18/564468118.db2.gz WKLNWHMBLUXELV-AWEZNQCLSA-N 1 0 377.539 3.562 20 0 GFADRO CCN1CCC([NH2+][C@@H]2CCS(=O)(=O)c3ccc(Br)cc32)CC1 ZINC000480323694 564468971 /nfs/dbraw/zinc/46/89/71/564468971.db2.gz DQNOKHCHEKXHNV-OAHLLOKOSA-N 1 0 387.343 2.742 20 0 GFADRO C[C@H]([NH2+]CCNS(=O)(=O)c1cccc(Cl)c1Cl)[C@]1(C)CCCO1 ZINC000515076997 564469046 /nfs/dbraw/zinc/46/90/46/564469046.db2.gz CDQYAVJXXPYNAJ-NHYWBVRUSA-N 1 0 381.325 2.819 20 0 GFADRO Cc1cc(Br)ccc1C(=O)N1CCC([NH2+]Cc2cnn(C)c2)CC1 ZINC000546873420 564471367 /nfs/dbraw/zinc/47/13/67/564471367.db2.gz WAKBSRYCJSIPJS-UHFFFAOYSA-N 1 0 391.313 2.885 20 0 GFADRO COC(=O)c1cc(C[NH2+][C@@](C)(CO)c2ccc(Br)cc2)cn1C ZINC000515228110 564473459 /nfs/dbraw/zinc/47/34/59/564473459.db2.gz FTZDIOKTLHMJDN-KRWDZBQOSA-N 1 0 381.270 2.572 20 0 GFADRO CN(C(=O)C[N@H+](C)[C@H]1CCSC1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000480440256 564473708 /nfs/dbraw/zinc/47/37/08/564473708.db2.gz UCBCQCIIVBIQJK-UXEPBGEESA-N 1 0 389.348 2.847 20 0 GFADRO Cc1cc(Br)cc(Cl)c1C(=O)N1CCN(CC[NH+](C)C)CC1 ZINC000480430188 564473733 /nfs/dbraw/zinc/47/37/33/564473733.db2.gz GXCWXQPJQFKGCT-UHFFFAOYSA-N 1 0 388.737 2.730 20 0 GFADRO C[C@]1(C(=O)NCc2cc(Cl)cc(I)c2)CC[NH2+]C1 ZINC000515346985 564475987 /nfs/dbraw/zinc/47/59/87/564475987.db2.gz KJTWZDBHIRVSMA-ZDUSSCGKSA-N 1 0 378.641 2.560 20 0 GFADRO CC1(C)CCC[NH2+][C@@H]1CNC(=O)N1CCC(n2cc(Br)cn2)CC1 ZINC000515342121 564476114 /nfs/dbraw/zinc/47/61/14/564476114.db2.gz WLJCWVCPSXCWJL-OAHLLOKOSA-N 1 0 398.349 2.770 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1ccccc1-n1cc(Br)cn1 ZINC000515365557 564476528 /nfs/dbraw/zinc/47/65/28/564476528.db2.gz AJADDUMLJKQRJE-NVXWUHKLSA-N 1 0 389.297 2.991 20 0 GFADRO O=C(NC[C@@]1(O)C[NH+]2CCC1CC2)c1ccc2cc(Br)ccc2c1 ZINC000515387952 564477691 /nfs/dbraw/zinc/47/76/91/564477691.db2.gz MYWDXBMMNJBIDL-LJQANCHMSA-N 1 0 389.293 2.789 20 0 GFADRO C[C@@H]([NH2+]C[C@@H](O)CN1C[C@@H](C)O[C@@H](C)C1)c1ccc(Br)s1 ZINC000569894055 564482854 /nfs/dbraw/zinc/48/28/54/564482854.db2.gz NTWWTBXGKLOYFY-YVECIDJPSA-N 1 0 377.348 2.631 20 0 GFADRO CCOc1cc(C[NH2+]C(C)(C)CS(C)(=O)=O)cc(Br)c1OC ZINC000547290393 564483655 /nfs/dbraw/zinc/48/36/55/564483655.db2.gz OJJFCJLTTDIDIG-UHFFFAOYSA-N 1 0 394.331 2.769 20 0 GFADRO Cc1cc(F)c(Br)cc1S(=O)(=O)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000480717476 564484407 /nfs/dbraw/zinc/48/44/07/564484407.db2.gz SSWYXBRNSNAUSB-QMTHXVAHSA-N 1 0 391.306 2.658 20 0 GFADRO CC[NH+](CC)CCO[C@@H]1CCN(S(=O)(=O)Cc2ccc(Cl)c(F)c2)C1 ZINC000480754718 564486338 /nfs/dbraw/zinc/48/63/38/564486338.db2.gz FDZVYWONBJPGOQ-OAHLLOKOSA-N 1 0 392.924 2.742 20 0 GFADRO C[NH2+][C@@H](C)Cc1noc(/C=C\c2cc(Br)c3c(c2)OCCO3)n1 ZINC000515844052 564488371 /nfs/dbraw/zinc/48/83/71/564488371.db2.gz LMEGNGYBISIRKQ-XOULXFPDSA-N 1 0 380.242 2.924 20 0 GFADRO O=C(Nc1ncc(-c2cnccn2)s1)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000570030847 564488832 /nfs/dbraw/zinc/48/88/32/564488832.db2.gz KIANYAVPUWLKKY-CYBMUJFWSA-N 1 0 375.523 2.756 20 0 GFADRO Cc1ccc(S(=O)(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cc1Br ZINC000480849169 564490742 /nfs/dbraw/zinc/49/07/42/564490742.db2.gz DEABVQCYUXTMHJ-XJKSGUPXSA-N 1 0 387.343 2.862 20 0 GFADRO C[NH+]1CCN(CCCSc2n[nH]c(-c3ccc(Br)cc3)n2)CC1 ZINC000547498255 564490959 /nfs/dbraw/zinc/49/09/59/564490959.db2.gz HUPGMWLMAFHTTI-UHFFFAOYSA-N 1 0 396.358 2.964 20 0 GFADRO O=S(=O)(c1ccc(C(F)(F)F)cc1F)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000516063806 564492006 /nfs/dbraw/zinc/49/20/06/564492006.db2.gz ZSYGEVDKVHEGPP-RYUDHWBXSA-N 1 0 380.407 2.855 20 0 GFADRO CO[C@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000570188067 564495093 /nfs/dbraw/zinc/49/50/93/564495093.db2.gz YAXCIVLSOSEYJZ-OYNZBZHQSA-N 1 0 382.302 2.528 20 0 GFADRO COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C(C)C)C1 ZINC000454098581 564498230 /nfs/dbraw/zinc/49/82/30/564498230.db2.gz NJVSAPNYIZALQJ-NSHDSACASA-N 1 0 388.295 2.882 20 0 GFADRO C[C@@H]([NH2+]C[C@H]1CC(=O)N(C2CC2)C1)c1ccc(I)cc1 ZINC000570285956 564500080 /nfs/dbraw/zinc/50/00/80/564500080.db2.gz KBCCOGFUURGIQO-VXGBXAGGSA-N 1 0 384.261 2.953 20 0 GFADRO C[C@@H]1CCN(C(=O)N[C@@H](c2cncc(Br)c2)C2CC2)C[C@@H]1C[NH3+] ZINC000570307131 564501025 /nfs/dbraw/zinc/50/10/25/564501025.db2.gz GYGFWEGALWFRCM-DIOULYMOSA-N 1 0 381.318 2.922 20 0 GFADRO C[N@@H+]1C[C@@H]2CCCN(C(=O)c3ccc(-n4cc(Br)cn4)cc3)[C@@H]2C1 ZINC000570389909 564503771 /nfs/dbraw/zinc/50/37/71/564503771.db2.gz AHFGYMDBQUMPEQ-WMLDXEAASA-N 1 0 389.297 2.801 20 0 GFADRO CO[C@H]1CCN(C(=O)Nc2cc(Br)cc3nc(C)oc32)[C@@H](C[NH3+])C1 ZINC000516551473 564505070 /nfs/dbraw/zinc/50/50/70/564505070.db2.gz RRARYVMBTBZEIG-NEPJUHHUSA-N 1 0 397.273 2.869 20 0 GFADRO CC(C)O[C@H]1C[C@@H]([NH2+]C[C@@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000516645760 564508208 /nfs/dbraw/zinc/50/82/08/564508208.db2.gz PORJQHQUGGHHPI-FMKPAKJESA-N 1 0 376.266 2.874 20 0 GFADRO Cc1cc(Br)ccc1CC(=O)N1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000570514931 564510045 /nfs/dbraw/zinc/51/00/45/564510045.db2.gz VZJCKRHQUBIGPP-HNNXBMFYSA-N 1 0 381.314 2.514 20 0 GFADRO C[NH+](C)[C@]1(CNS(=O)(=O)Cc2cccc(C(F)(F)F)c2)CCSC1 ZINC000481336455 564510246 /nfs/dbraw/zinc/51/02/46/564510246.db2.gz HRGMPACUOXBTCR-AWEZNQCLSA-N 1 0 382.473 2.562 20 0 GFADRO CC(=O)N[C@H](C)C1CC[NH+](C[C@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000481597583 564517881 /nfs/dbraw/zinc/51/78/81/564517881.db2.gz XTXUVWYESYVVAZ-WBMJQRKESA-N 1 0 389.323 2.970 20 0 GFADRO O=C(NCC1=CC[NH2+]CC1)Nc1ccnn1Cc1ccc(Br)cc1 ZINC000516958582 564518758 /nfs/dbraw/zinc/51/87/58/564518758.db2.gz HTOOKKYAOYOXGH-UHFFFAOYSA-N 1 0 390.285 2.735 20 0 GFADRO COCCOc1cc2c(cc1CNc1cc[nH+]c(C)c1Br)OCO2 ZINC000570750470 564519451 /nfs/dbraw/zinc/51/94/51/564519451.db2.gz HOOFAZRWALVOER-UHFFFAOYSA-N 1 0 395.253 2.940 20 0 GFADRO C[NH+](C)[C@@]1(CNC(=O)N2CCO[C@H](c3ccccc3Cl)C2)CCSC1 ZINC000481788962 564524248 /nfs/dbraw/zinc/52/42/48/564524248.db2.gz PCJHAHUHPMMNQD-FUHWJXTLSA-N 1 0 383.945 2.860 20 0 GFADRO O=C(Cc1ccc(I)cc1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000517234301 564528391 /nfs/dbraw/zinc/52/83/91/564528391.db2.gz DRVOKTHWHHGLSB-OAHLLOKOSA-N 1 0 398.288 2.682 20 0 GFADRO COC1CC[NH+](C(C)(C)CNC(=O)Cc2ccc(Br)cc2O)CC1 ZINC000548074471 564529835 /nfs/dbraw/zinc/52/98/35/564529835.db2.gz FRUQSNRSMMEABQ-UHFFFAOYSA-N 1 0 399.329 2.703 20 0 GFADRO COCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](Cc2cccc(Br)c2OC)C1 ZINC000481997584 564531380 /nfs/dbraw/zinc/53/13/80/564531380.db2.gz IQVGDGLRMQLELU-UKRRQHHQSA-N 1 0 399.329 2.821 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(C(=O)Nc3cccc(F)c3I)C[C@@H]21 ZINC000455016211 564531603 /nfs/dbraw/zinc/53/16/03/564531603.db2.gz BUKPBSLXPNFKBZ-SKDRFNHKSA-N 1 0 389.212 2.598 20 0 GFADRO C[C@@H]1C[N@@H+](CCC2CCN(c3ncncc3Br)CC2)C[C@H](C)O1 ZINC000482000812 564531623 /nfs/dbraw/zinc/53/16/23/564531623.db2.gz QBEZBQWXCWQLMJ-OKILXGFUSA-N 1 0 383.334 2.955 20 0 GFADRO Cc1oc(-c2ccc(Cl)c(Cl)c2)nc1C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000517368744 564531711 /nfs/dbraw/zinc/53/17/11/564531711.db2.gz QRZYRIFSPDJCKS-LBPRGKRZSA-N 1 0 383.279 2.672 20 0 GFADRO C[NH2+][C@@H](CC(C)(C)C)C(=O)Nc1ccc(I)c(C)n1 ZINC000571044063 564533360 /nfs/dbraw/zinc/53/33/60/564533360.db2.gz JLVIFFSSHQWJTN-NSHDSACASA-N 1 0 375.254 2.957 20 0 GFADRO C[C@H](C(=O)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1)[NH+]1CC(C)C1 ZINC000571059586 564534675 /nfs/dbraw/zinc/53/46/75/564534675.db2.gz UKNRRFKKVMILFP-CYBMUJFWSA-N 1 0 384.307 2.618 20 0 GFADRO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@H](CO)C1CCOCC1 ZINC000517546781 564536849 /nfs/dbraw/zinc/53/68/49/564536849.db2.gz CBASILRFWRUZFT-MLGOLLRUSA-N 1 0 385.302 2.543 20 0 GFADRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)NCCC(=O)Nc1ccc(Br)cc1 ZINC000517552506 564536877 /nfs/dbraw/zinc/53/68/77/564536877.db2.gz PGUSNVCKXRQLNM-HNNXBMFYSA-N 1 0 397.317 2.513 20 0 GFADRO CC(C)NC(=O)NCC[NH2+]C1(c2cccc(Br)c2)CCOCC1 ZINC000571161099 564538270 /nfs/dbraw/zinc/53/82/70/564538270.db2.gz BDVZQDXLTIFOGN-UHFFFAOYSA-N 1 0 384.318 2.752 20 0 GFADRO C[N@@H+]1CCN(Cc2nc(Cc3cccc(Br)c3)no2)CC1(C)C ZINC000571175404 564538896 /nfs/dbraw/zinc/53/88/96/564538896.db2.gz GXVSMNDHCMXRPR-UHFFFAOYSA-N 1 0 379.302 2.949 20 0 GFADRO COC[C@@H](Cc1ccccc1)NC(=O)[C@@](C)([NH3+])c1ccc(Br)cc1 ZINC000571163764 564539213 /nfs/dbraw/zinc/53/92/13/564539213.db2.gz JJJHRCMHTNVHIJ-MJGOQNOKSA-N 1 0 391.309 2.997 20 0 GFADRO C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1Cl)N1CCOCC1 ZINC000482364681 564541687 /nfs/dbraw/zinc/54/16/87/564541687.db2.gz ZVVRCSGPVHEGPO-NSHDSACASA-N 1 0 375.694 2.782 20 0 GFADRO C[C@@H]1COCCN1CCNC(=O)NCc1ccc(Br)cc1Cl ZINC000517887494 564543201 /nfs/dbraw/zinc/54/32/01/564543201.db2.gz CGZVDPXFUHNSSC-LLVKDONJSA-N 1 0 390.709 2.622 20 0 GFADRO CC[NH+](CC)[C@H]1CCN(C(=O)NCc2nc(C)c(Br)s2)C1 ZINC000455228568 564544228 /nfs/dbraw/zinc/54/42/28/564544228.db2.gz KANMTGAYQKDXJK-NSHDSACASA-N 1 0 375.336 2.840 20 0 GFADRO CC1(C)[NH2+]CC[C@H]1NC(=O)CCC[S@@](=O)c1ccc(Br)cc1 ZINC000518080555 564546156 /nfs/dbraw/zinc/54/61/56/564546156.db2.gz NOYLFYAXUBZSRA-JLCFBVMHSA-N 1 0 387.343 2.594 20 0 GFADRO CS(=O)(=O)c1ccc(OCC[NH2+][C@H](CCO)c2ccc(Cl)cc2)cc1 ZINC000571336087 564546861 /nfs/dbraw/zinc/54/68/61/564546861.db2.gz CNYYHCLSVOENCV-GOSISDBHSA-N 1 0 383.897 2.836 20 0 GFADRO Cc1cc(N2CC[N@H+](CCO)[C@@H](C)C2)c2cc(Br)cc(F)c2n1 ZINC000548288357 564547300 /nfs/dbraw/zinc/54/73/00/564547300.db2.gz PRWYRNLOHRCSKH-LBPRGKRZSA-N 1 0 382.277 2.948 20 0 GFADRO CO[C@H]1CCN(C(=O)c2cc3c(cc(Br)cc3F)[nH]2)[C@H](C[NH3+])C1 ZINC000571341712 564547774 /nfs/dbraw/zinc/54/77/74/564547774.db2.gz VIQSNYKZXQRHMA-QWRGUYRKSA-N 1 0 384.249 2.648 20 0 GFADRO CNC(=O)CC[N@H+](C)CCOc1c(Br)cccc1Br ZINC000482677671 564548100 /nfs/dbraw/zinc/54/81/00/564548100.db2.gz AQWWPAQRAUQFAX-UHFFFAOYSA-N 1 0 394.107 2.658 20 0 GFADRO NC(=O)[C@@H]1CCCN1CCC[NH2+]CC1=Cc2cc(Cl)cc(Cl)c2OC1 ZINC000518286789 564549642 /nfs/dbraw/zinc/54/96/42/564549642.db2.gz LHAULDVKDUSJIM-INIZCTEOSA-N 1 0 384.307 2.699 20 0 GFADRO C[C@@H]1CC2(CN1S(=O)(=O)c1cccc(OC(F)(F)F)c1)CC[NH2+]CC2 ZINC000571432306 564550823 /nfs/dbraw/zinc/55/08/23/564550823.db2.gz RXBQLDGQSVZILK-GFCCVEGCSA-N 1 0 378.416 2.738 20 0 GFADRO CCN(CC)C[C@@H](C)[NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000571433007 564550934 /nfs/dbraw/zinc/55/09/34/564550934.db2.gz NGQIDUFKPSPYBE-IUODEOHRSA-N 1 0 377.298 2.648 20 0 GFADRO OCc1cn(CCC[NH2+][C@@H](c2ccco2)c2ccc(Br)cc2)nn1 ZINC000518447409 564554229 /nfs/dbraw/zinc/55/42/29/564554229.db2.gz WRFKITTYOIJPBM-QGZVFWFLSA-N 1 0 391.269 2.895 20 0 GFADRO CC[C@H]1C[N@H+](CC)CCN1C(=O)Nc1cccc(C(=O)NC)c1Br ZINC000455440375 564554237 /nfs/dbraw/zinc/55/42/37/564554237.db2.gz YHECTRHRWQLXIZ-LBPRGKRZSA-N 1 0 397.317 2.757 20 0 GFADRO O=C(NCC1CC[NH2+]CC1)N[C@@H](CO)c1ccc(Cl)cc1C(F)(F)F ZINC000518499018 564555282 /nfs/dbraw/zinc/55/52/82/564555282.db2.gz BDRNIJOIZLGGMQ-AWEZNQCLSA-N 1 0 379.810 2.691 20 0 GFADRO C[C@H](NC(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1)c1ccc(Br)cn1 ZINC000518499245 564555385 /nfs/dbraw/zinc/55/53/85/564555385.db2.gz XJOUTRMCUIWNLD-YLQAJVPDSA-N 1 0 389.297 2.960 20 0 GFADRO CSc1nsc(NC(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)n1 ZINC000548521199 564555707 /nfs/dbraw/zinc/55/57/07/564555707.db2.gz IBPSBONDKPDXSQ-UHFFFAOYSA-N 1 0 385.559 2.616 20 0 GFADRO CCC(C)(C)[NH2+][C@H](C)C(=O)N(CCO)Cc1ccc(Br)s1 ZINC000483006865 564556289 /nfs/dbraw/zinc/55/62/89/564556289.db2.gz CJDWYUDCLBOODD-LLVKDONJSA-N 1 0 377.348 2.998 20 0 GFADRO CS(=O)(=O)[C@@H]1CCC[C@@H]([NH2+]C[C@@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000571552187 564556593 /nfs/dbraw/zinc/55/65/93/564556593.db2.gz QDBOMILBRTVKQK-JHJVBQTASA-N 1 0 396.336 2.679 20 0 GFADRO CC(C)C[C@@](C)([NH2+]CCNS(C)(=O)=O)c1cccc(Br)c1 ZINC000483052523 564557173 /nfs/dbraw/zinc/55/71/73/564557173.db2.gz SQLQZBOPKQWZFW-OAHLLOKOSA-N 1 0 377.348 2.849 20 0 GFADRO CC(C)C[C@](C)([NH2+]C[C@@H](O)CN1CCOCC1)c1cccc(Br)c1 ZINC000483055925 564557300 /nfs/dbraw/zinc/55/73/00/564557300.db2.gz URHBFMRYZHYFLE-MOPGFXCFSA-N 1 0 399.373 2.993 20 0 GFADRO O=C(Nc1ccc(=O)n(Cc2ccc(Cl)c(Cl)c2)c1)N1CC[NH2+]CC1 ZINC000571651423 564561083 /nfs/dbraw/zinc/56/10/83/564561083.db2.gz SGHGJIZEXZNNCI-UHFFFAOYSA-N 1 0 381.263 2.641 20 0 GFADRO O=C(CCC(=O)N1CCN([C@H]2CC[NH2+]C2)CC1)c1cc(Cl)sc1Cl ZINC000518766770 564561986 /nfs/dbraw/zinc/56/19/86/564561986.db2.gz RGZSDKBFYIFHHS-NSHDSACASA-N 1 0 390.336 2.524 20 0 GFADRO C[NH+](C)CCn1nccc1NC(=O)N1CCc2c(Br)cccc2C1 ZINC000455643415 564562302 /nfs/dbraw/zinc/56/23/02/564562302.db2.gz BASOTQSXAYTBOO-UHFFFAOYSA-N 1 0 392.301 2.797 20 0 GFADRO C[C@H]1CCNC(=O)[C@H]1[NH2+]Cc1cc(Br)cc(Br)c1 ZINC000571717851 564563412 /nfs/dbraw/zinc/56/34/12/564563412.db2.gz HQOOKNDIUCSJDW-UFBFGSQYSA-N 1 0 376.092 2.826 20 0 GFADRO O=C(NCC1(c2ccc(Br)cc2)CCOCC1)NC1CC[NH2+]CC1 ZINC000571744989 564564391 /nfs/dbraw/zinc/56/43/91/564564391.db2.gz DKUYIXXWRYBCOF-UHFFFAOYSA-N 1 0 396.329 2.549 20 0 GFADRO C[N@@H+]1CC[C@H](CNC(=O)CCOc2ccc(Cl)cc2Br)C1 ZINC000518924009 564565316 /nfs/dbraw/zinc/56/53/16/564565316.db2.gz IBCWNGWTMGIWQF-LLVKDONJSA-N 1 0 375.694 2.939 20 0 GFADRO COCCC[N@H+](C)CCNC(=O)Nc1c(C)ccc(F)c1Br ZINC000455758534 564569624 /nfs/dbraw/zinc/56/96/24/564569624.db2.gz VJHJDMMXLOCYIG-UHFFFAOYSA-N 1 0 376.270 2.986 20 0 GFADRO C[NH+](C)CCOc1ccc(CCNC(=O)c2ccc(Br)cn2)cc1 ZINC000519139543 564570647 /nfs/dbraw/zinc/57/06/47/564570647.db2.gz TZWKSELXRFPUFH-UHFFFAOYSA-N 1 0 392.297 2.757 20 0 GFADRO O=S(=O)(c1cccc(Br)c1F)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000571920843 564572712 /nfs/dbraw/zinc/57/27/12/564572712.db2.gz LGLKHGLQBHFTHQ-LBPRGKRZSA-N 1 0 391.306 2.598 20 0 GFADRO Cc1ncc(Br)cc1NC(=O)NC[C@@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000455825116 564573091 /nfs/dbraw/zinc/57/30/91/564573091.db2.gz BTYIOFQHDGQNDQ-INIZCTEOSA-N 1 0 398.349 2.546 20 0 GFADRO CO[C@@H]1CCCC[C@@H]1[NH2+]CCS(=O)(=O)c1cccc(Br)c1 ZINC000483681629 564573069 /nfs/dbraw/zinc/57/30/69/564573069.db2.gz IBYUUWCPDOHHJF-LSDHHAIUSA-N 1 0 376.316 2.770 20 0 GFADRO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)NCc1n[nH]cc1Br)[NH+](C)C ZINC000548808946 564575473 /nfs/dbraw/zinc/57/54/73/564575473.db2.gz VATSTNLSGPQFAD-MLGOLLRUSA-N 1 0 394.317 2.971 20 0 GFADRO O=C(c1cc(Br)c2c(c1)OCCO2)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000519375309 564576023 /nfs/dbraw/zinc/57/60/23/564576023.db2.gz KPFCMVBYVZIQLI-CQSZACIVSA-N 1 0 395.297 2.921 20 0 GFADRO CC[NH+](CC)[C@@H]1CCN(C(=O)Nc2cc(N(C)C)c(Br)cn2)C1 ZINC000455858718 564576049 /nfs/dbraw/zinc/57/60/49/564576049.db2.gz CFEMAFULPPVCIA-GFCCVEGCSA-N 1 0 384.322 2.858 20 0 GFADRO Cc1cc(S(=O)(=O)N[C@@H](C)[C@@H]2CCC[NH2+]C2)c(F)cc1Br ZINC000519399193 564576766 /nfs/dbraw/zinc/57/67/66/564576766.db2.gz AJVFNQSFMPWHIN-WDEREUQCSA-N 1 0 379.295 2.563 20 0 GFADRO O=C(NCc1nc2c(cccc2Br)[nH]1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000572015870 564577082 /nfs/dbraw/zinc/57/70/82/564577082.db2.gz JTNPVQCSVWZTSU-QGZVFWFLSA-N 1 0 392.301 2.611 20 0 GFADRO O=S(=O)(c1cccs1)N1CCC[C@@H]([NH2+]Cc2ccc3[nH]cnc3c2)C1 ZINC000572039040 564578999 /nfs/dbraw/zinc/57/89/99/564578999.db2.gz VOEJJKXJLZJNRS-CQSZACIVSA-N 1 0 376.507 2.567 20 0 GFADRO CO[C@H]1CCN(CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)[C@@H](C[NH3+])C1 ZINC000572038792 564579143 /nfs/dbraw/zinc/57/91/43/564579143.db2.gz JLGWBINOKQLOSH-NEPJUHHUSA-N 1 0 379.810 2.735 20 0 GFADRO COC(=O)[C@H](c1ccc(Cl)c(Cl)c1)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000483990136 564579737 /nfs/dbraw/zinc/57/97/37/564579737.db2.gz WNRZQQFLKLXBTA-WBMJQRKESA-N 1 0 389.323 2.985 20 0 GFADRO C[NH+]1CCC(O)(CNC(=O)Nc2cccc3c(Br)ccnc23)CC1 ZINC000455914157 564580462 /nfs/dbraw/zinc/58/04/62/564580462.db2.gz XZZZPXCRVKTXLH-UHFFFAOYSA-N 1 0 393.285 2.576 20 0 GFADRO Cc1ncc2c(n1)CC[C@H]([NH2+]C[C@H](O)COc1c(Cl)cccc1Cl)C2 ZINC000519540841 564580537 /nfs/dbraw/zinc/58/05/37/564580537.db2.gz NJYARYOGHFGHAO-KBPBESRZSA-N 1 0 382.291 2.979 20 0 GFADRO CC[NH+](CC)CC[C@H](CO)NC(=O)[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000519551747 564580563 /nfs/dbraw/zinc/58/05/63/564580563.db2.gz MFEPSIVXQCHPEO-IXDOHACOSA-N 1 0 383.330 2.762 20 0 GFADRO COC(=O)c1cc(Br)cc(C(=O)N2CCCC[C@@H]2C[NH+](C)C)c1 ZINC000572179641 564584680 /nfs/dbraw/zinc/58/46/80/564584680.db2.gz LTLXAALXWJZTTI-OAHLLOKOSA-N 1 0 383.286 2.792 20 0 GFADRO CC(C)[N@H+](CCOCCO)CC(=O)N[C@H](C)c1ccc(Cl)cc1Cl ZINC000549079283 564585363 /nfs/dbraw/zinc/58/53/63/564585363.db2.gz GPRVMVMZAFYZIY-CYBMUJFWSA-N 1 0 377.312 2.890 20 0 GFADRO NC(=O)c1ccc(C[NH2+][C@@H]2CCCOc3c(Br)cccc32)cn1 ZINC000484282221 564585780 /nfs/dbraw/zinc/58/57/80/564585780.db2.gz XBDBBTONIYXPEH-CQSZACIVSA-N 1 0 376.254 2.947 20 0 GFADRO COC(=O)CN(C)C(=O)CC[NH2+][C@](C)(c1ccc(Br)cc1)C(C)C ZINC000484333085 564586681 /nfs/dbraw/zinc/58/66/81/564586681.db2.gz SKNIBAWCCGINKH-SFHVURJKSA-N 1 0 399.329 2.931 20 0 GFADRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]Cc2csc(Br)c2)c1 ZINC000572262004 564587192 /nfs/dbraw/zinc/58/71/92/564587192.db2.gz PVCRSHPCIYHHET-GFCCVEGCSA-N 1 0 387.255 2.948 20 0 GFADRO C[N@@H+](Cc1cc(Br)ccc1Cl)C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000549170681 564587394 /nfs/dbraw/zinc/58/73/94/564587394.db2.gz BTSLIIADAMTIPJ-LLVKDONJSA-N 1 0 395.750 2.816 20 0 GFADRO CS(=O)(=O)CC1(C[NH2+]C[C@@H](O)COc2ccc(Cl)cc2Cl)CCC1 ZINC000519697906 564587516 /nfs/dbraw/zinc/58/75/16/564587516.db2.gz JWOKMGPLXWESBR-CYBMUJFWSA-N 1 0 396.336 2.538 20 0 GFADRO CC(C)[C@@](C)([NH2+]C[C@@H](O)CN1CCOCC1)c1ccc(Br)cc1 ZINC000484409342 564587827 /nfs/dbraw/zinc/58/78/27/564587827.db2.gz RSEVZDQXLRMMFB-QZTJIDSGSA-N 1 0 385.346 2.603 20 0 GFADRO O=C(NCCOc1ccc(Br)cc1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000519808614 564591172 /nfs/dbraw/zinc/59/11/72/564591172.db2.gz IYRYOSCTYCRTIF-KRWDZBQOSA-N 1 0 382.302 2.613 20 0 GFADRO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1cccc(Br)c1Cl ZINC000549311848 564592267 /nfs/dbraw/zinc/59/22/67/564592267.db2.gz NWVODHJXKYRZMG-JTQLQIEISA-N 1 0 390.709 2.888 20 0 GFADRO CS[C@@H]1CN([C@@H]2CCN(c3ccc(Cl)cc3)C2=O)C[C@@H]1[NH+]1CCCC1 ZINC000484623567 564592716 /nfs/dbraw/zinc/59/27/16/564592716.db2.gz FIRDPZBHARRAMZ-FGTMMUONSA-N 1 0 379.957 2.957 20 0 GFADRO CCO[C@@H]1COCC[C@@H]1[NH2+]CC(=O)N[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000484639940 564593757 /nfs/dbraw/zinc/59/37/57/564593757.db2.gz GTWPDRDOIGVTSR-XFBWCDHKSA-N 1 0 375.296 2.954 20 0 GFADRO O[C@@H](COc1cc(F)cc(Br)c1)C[N@@H+]1CC[C@H](OC(F)F)C1 ZINC000549410029 564594699 /nfs/dbraw/zinc/59/46/99/564594699.db2.gz ZZINGOHFBVWVLE-NEPJUHHUSA-N 1 0 384.192 2.641 20 0 GFADRO CC[NH+](CC)C[C@@H](C)NC(=O)[C@@H]1CCN(c2ccccc2Br)C1=O ZINC000519995192 564595928 /nfs/dbraw/zinc/59/59/28/564595928.db2.gz YLXXYAKTCIUAOF-KGLIPLIRSA-N 1 0 396.329 2.649 20 0 GFADRO [NH3+]CC12CCC(CC1)CN2C(=O)c1c(F)cccc1I ZINC000572492535 564596725 /nfs/dbraw/zinc/59/67/25/564596725.db2.gz DBMDDCIFVJONBC-UHFFFAOYSA-N 1 0 388.224 2.774 20 0 GFADRO C[C@@H](CN1CCCCC1)[NH2+]CCS(=O)(=O)c1cccc(Br)c1 ZINC000572595117 564601646 /nfs/dbraw/zinc/60/16/46/564601646.db2.gz UFTAXIXVJQGCOQ-AWEZNQCLSA-N 1 0 389.359 2.687 20 0 GFADRO CC[C@@H]1C[N@H+](CC)CCN1C(=O)[C@H]1CC(=O)Nc2ccc(Br)cc21 ZINC000456393301 564605902 /nfs/dbraw/zinc/60/59/02/564605902.db2.gz XVBFXIMCNCNZSZ-HIFRSBDPSA-N 1 0 394.313 2.818 20 0 GFADRO C[C@@H]([NH3+])C[C@@H](C)NS(=O)(=O)c1cc(Br)cc(C(F)(F)F)c1 ZINC000572721009 564607577 /nfs/dbraw/zinc/60/75/77/564607577.db2.gz LZRVFBPWGWERJT-HTQZYQBOSA-N 1 0 389.237 2.872 20 0 GFADRO Cc1cc(S(=O)(=O)NCC[C@@H]2CCC[NH2+]C2)c(F)cc1Br ZINC000520580893 564608649 /nfs/dbraw/zinc/60/86/49/564608649.db2.gz STWAXLALHACBFD-NSHDSACASA-N 1 0 379.295 2.565 20 0 GFADRO C[C@@H]([NH2+]C[C@H](O)COC[C@H]1CCCO1)c1ccc(Br)cc1F ZINC000520649962 564608881 /nfs/dbraw/zinc/60/88/81/564608881.db2.gz DFMPGDFXFQJWFH-KWCYVHTRSA-N 1 0 376.266 2.795 20 0 GFADRO COc1cc(OC)c(S(=O)(=O)N2CCCC[C@H]2[C@H]2CCC[NH2+]2)cc1Cl ZINC000572826824 564611770 /nfs/dbraw/zinc/61/17/70/564611770.db2.gz DGKLOQRAQYSZLT-KGLIPLIRSA-N 1 0 388.917 2.652 20 0 GFADRO C[NH+](C)CCN(C(=O)c1cn(-c2ccc(Br)cc2)cn1)C1CC1 ZINC000485271260 564612034 /nfs/dbraw/zinc/61/20/34/564612034.db2.gz WBZPBXAXOLHTGH-UHFFFAOYSA-N 1 0 377.286 2.801 20 0 GFADRO COCC[N@@H+]1CC[C@H](NC(=O)c2cc(C)nc3ccc(Br)cc32)C1 ZINC000520766394 564612257 /nfs/dbraw/zinc/61/22/57/564612257.db2.gz WCPVFSKDEJLGIZ-AWEZNQCLSA-N 1 0 392.297 2.756 20 0 GFADRO Cc1nc(CNC(=O)NC[C@H]2CC[N@@H+](C(C)C)C2)sc1Br ZINC000520738843 564612274 /nfs/dbraw/zinc/61/22/74/564612274.db2.gz UNYAIMLLIWXWNU-LLVKDONJSA-N 1 0 375.336 2.744 20 0 GFADRO COc1ccc([C@@H](NCc2nn(C)cc2Br)[C@H]2CCC[NH2+]2)cc1 ZINC000520792935 564613060 /nfs/dbraw/zinc/61/30/60/564613060.db2.gz ZONGRBOWOQOCKC-NVXWUHKLSA-N 1 0 379.302 2.774 20 0 GFADRO C[NH+]1CCN(c2cccc(C(=O)NCc3sccc3Br)n2)CC1 ZINC000520791127 564613151 /nfs/dbraw/zinc/61/31/51/564613151.db2.gz HQKPHGPAEOUCPN-UHFFFAOYSA-N 1 0 395.326 2.587 20 0 GFADRO C[C@@H](CNC(=O)CNC(=O)c1ccc(Cl)cc1Cl)[NH+]1CCC(C)CC1 ZINC000520858993 564614659 /nfs/dbraw/zinc/61/46/59/564614659.db2.gz KLMAWGMOZOPKQX-ZDUSSCGKSA-N 1 0 386.323 2.960 20 0 GFADRO Cc1cc(Cl)cc(C[NH2+]C2CCN(S(=O)(=O)C3CCOCC3)CC2)c1 ZINC000550156083 564616371 /nfs/dbraw/zinc/61/63/71/564616371.db2.gz JRUCOLGUQMTPJW-UHFFFAOYSA-N 1 0 386.945 2.711 20 0 GFADRO C[C@@H]([NH2+]CCOCC1CCC1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000520943114 564616590 /nfs/dbraw/zinc/61/65/90/564616590.db2.gz KQZRQBUMAXHIGJ-LLVKDONJSA-N 1 0 391.331 2.564 20 0 GFADRO CC[C@H](C)[NH+]1CCN(C(=O)CCNC(=O)c2ccc(Br)cc2)CC1 ZINC000456546087 564617354 /nfs/dbraw/zinc/61/73/54/564617354.db2.gz IEYHZLIGGJJJMM-AWEZNQCLSA-N 1 0 396.329 2.512 20 0 GFADRO CN(C(=O)Nc1ccc(I)cc1F)[C@H](C[NH3+])C1CC1 ZINC000521069445 564619017 /nfs/dbraw/zinc/61/90/17/564619017.db2.gz JSBPLJZRZYNMGS-GFCCVEGCSA-N 1 0 377.201 2.631 20 0 GFADRO O=C(NCCOc1ccc(Br)cc1)[C@H]1C[NH2+]Cc2ccccc21 ZINC000572997570 564619000 /nfs/dbraw/zinc/61/90/00/564619000.db2.gz AXHIFWNXRGZLBA-KRWDZBQOSA-N 1 0 375.266 2.831 20 0 GFADRO CCc1c(C(=O)N[C@@H](C)C[NH+](C)C)cnn1-c1ccc(Br)cc1 ZINC000573034114 564619563 /nfs/dbraw/zinc/61/95/63/564619563.db2.gz GTIMEUYXJKMPCM-LBPRGKRZSA-N 1 0 379.302 2.877 20 0 GFADRO CCN(CC)S(=O)(=O)c1cc(NC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)ccc1Cl ZINC000485547153 564619527 /nfs/dbraw/zinc/61/95/27/564619527.db2.gz NVBMLHVXNKNACS-TZMCWYRMSA-N 1 0 387.933 2.507 20 0 GFADRO C[C@@H](c1ccc(Cl)cc1)N1CCN(C(=O)C[N@H+](C)[C@H]2CCSC2)CC1 ZINC000485587798 564620452 /nfs/dbraw/zinc/62/04/52/564620452.db2.gz AFUBGWSZOGYDGT-YJBOKZPZSA-N 1 0 381.973 2.983 20 0 GFADRO CCO[C@@H]1C[C@H]([NH2+]Cc2cc3c(cc2Br)OCO3)[C@H]1n1cccn1 ZINC000550327285 564620662 /nfs/dbraw/zinc/62/06/62/564620662.db2.gz UMWHPWXJJRVVCR-IAOVAPTHSA-N 1 0 394.269 2.883 20 0 GFADRO O=C(CC[N@@H+](Cc1cc(Br)ccc1F)C1CC1)N1CCOCC1 ZINC000521187256 564621141 /nfs/dbraw/zinc/62/11/41/564621141.db2.gz FXJRNGSRJKBNRI-UHFFFAOYSA-N 1 0 385.277 2.802 20 0 GFADRO C[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CC(=O)N(c3cc(Cl)cc(Cl)c3)C2)C1 ZINC000521247004 564622496 /nfs/dbraw/zinc/62/24/96/564622496.db2.gz XANAKIQKMNWTAP-SWLSCSKDSA-N 1 0 384.307 2.899 20 0 GFADRO C[C@@H]1CSc2ccc(Br)cc2[C@H]1NC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000573092202 564622609 /nfs/dbraw/zinc/62/26/09/564622609.db2.gz HKGLSQHTVDTGAR-DGKAHZFQSA-N 1 0 382.327 2.749 20 0 GFADRO C[C@@H](CNS(=O)(=O)Cc1cccc(Br)c1)[N@@H+]1CCC[C@H](C)C1 ZINC000550431466 564624370 /nfs/dbraw/zinc/62/43/70/564624370.db2.gz JAJGZEWBTNATDE-KBPBESRZSA-N 1 0 389.359 2.989 20 0 GFADRO Cc1cc(Br)cc(C)c1CNC(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000485777399 564625343 /nfs/dbraw/zinc/62/53/43/564625343.db2.gz RLKYVELIQHTALV-LBPRGKRZSA-N 1 0 377.286 2.796 20 0 GFADRO Cc1sc(C2([NH2+]CCCS(N)(=O)=O)CCC2)nc1-c1ccccc1F ZINC000550525385 564626087 /nfs/dbraw/zinc/62/60/87/564626087.db2.gz DELNRRPAXRPORM-UHFFFAOYSA-N 1 0 383.514 2.905 20 0 GFADRO C[C@](O)(C[NH2+]Cc1csc2c1cccc2Br)CN1CCOCC1 ZINC000521463981 564627650 /nfs/dbraw/zinc/62/76/50/564627650.db2.gz HOASOINGUFFFMG-KRWDZBQOSA-N 1 0 399.354 2.837 20 0 GFADRO CCC(=O)N[C@H](CCSC)C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000485858368 564628001 /nfs/dbraw/zinc/62/80/01/564628001.db2.gz XHERHRJVZUTHHU-CYBMUJFWSA-N 1 0 377.432 2.751 20 0 GFADRO O=C(Cc1ccc(I)cc1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000485856710 564628228 /nfs/dbraw/zinc/62/82/28/564628228.db2.gz RXRCCWINOLEJAR-INIZCTEOSA-N 1 0 398.288 2.921 20 0 GFADRO Cc1ccsc1CNC(=O)C(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000550787958 564631514 /nfs/dbraw/zinc/63/15/14/564631514.db2.gz CBDSHVYTVHCTSW-OAHLLOKOSA-N 1 0 379.913 2.745 20 0 GFADRO C[C@@H]1CCC[N@H+](CCNS(=O)(=O)Cc2cccc(Br)c2)C1 ZINC000550824635 564632175 /nfs/dbraw/zinc/63/21/75/564632175.db2.gz MVGNMHGLFRXUCF-CYBMUJFWSA-N 1 0 375.332 2.600 20 0 GFADRO O=S(=O)(Cc1cccc(Br)c1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000550829609 564632480 /nfs/dbraw/zinc/63/24/80/564632480.db2.gz YPRHTEFYYMJCOI-MRXNPFEDSA-N 1 0 387.343 2.839 20 0 GFADRO COC(=O)c1cc(C[NH2+][C@H]2CCN(c3ccccc3Br)C2)cn1C ZINC000521686747 564633840 /nfs/dbraw/zinc/63/38/40/564633840.db2.gz IBLILXSCJUQEEH-AWEZNQCLSA-N 1 0 392.297 2.943 20 0 GFADRO CCc1ncc(S(=O)(=O)N2CC[C@@H]([N@H+](C)CCc3ccccc3)C2)s1 ZINC000573386442 564635691 /nfs/dbraw/zinc/63/56/91/564635691.db2.gz AGUUHZIPMWCTKE-MRXNPFEDSA-N 1 0 379.551 2.643 20 0 GFADRO Cc1ccc(C(=O)N2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)cc1Br ZINC000486017200 564635827 /nfs/dbraw/zinc/63/58/27/564635827.db2.gz ORSWYFLGXFMQAI-QAPCUYQASA-N 1 0 394.357 2.856 20 0 GFADRO O=C(NCCOc1ccc(Br)cc1)[C@]1(c2ccccc2)CC[NH2+]C1 ZINC000573434914 564637297 /nfs/dbraw/zinc/63/72/97/564637297.db2.gz ZNODXQUAZYTROT-LJQANCHMSA-N 1 0 389.293 2.875 20 0 GFADRO CCOCC[C@@H](O)C[NH2+][C@@H](C)CCc1ccc(I)cc1 ZINC000521864339 564637979 /nfs/dbraw/zinc/63/79/79/564637979.db2.gz XWKDKVFSUMIEFP-XJKSGUPXSA-N 1 0 391.293 2.989 20 0 GFADRO COc1ccc(Cl)cc1S(=O)(=O)N1C[C@@H]([NH+]2CCCC2)[C@@H](SC)C1 ZINC000486091513 564638872 /nfs/dbraw/zinc/63/88/72/564638872.db2.gz FZRRTISYEZDDPK-HIFRSBDPSA-N 1 0 390.958 2.549 20 0 GFADRO COCCO[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CCc2c1cc(Br)cc2F ZINC000486086634 564638959 /nfs/dbraw/zinc/63/89/59/564638959.db2.gz LESHCBKDTUDQJH-IXDOHACOSA-N 1 0 388.277 2.986 20 0 GFADRO O=S1(=O)CCC(O)(C[NH2+][C@H]2C[C@H](c3ccc(Cl)c(Cl)c3)C2)CC1 ZINC000573480220 564640654 /nfs/dbraw/zinc/64/06/54/564640654.db2.gz IEEVTVDURUTQLB-JOCQHMNTSA-N 1 0 378.321 2.769 20 0 GFADRO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]CCOCC(F)(F)C(F)F ZINC000551276836 564644839 /nfs/dbraw/zinc/64/48/39/564644839.db2.gz LIEXUHPKVKPNST-VIFPVBQESA-N 1 0 389.187 2.506 20 0 GFADRO CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC000522146704 564645242 /nfs/dbraw/zinc/64/52/42/564645242.db2.gz URMOEDXREXETAK-JTQLQIEISA-N 1 0 377.794 2.707 20 0 GFADRO COCC[C@H]([NH2+]CCN1C(=O)NC(C)(C)C1=O)c1ccc(Cl)c(Cl)c1 ZINC000551429155 564649621 /nfs/dbraw/zinc/64/96/21/564649621.db2.gz YRPQIPIVJSUQPW-AWEZNQCLSA-N 1 0 388.295 2.991 20 0 GFADRO O[C@H](C[NH2+]C[C@H](O)Cc1cccc(F)c1)COc1cccc(Br)c1 ZINC000573683732 564649800 /nfs/dbraw/zinc/64/98/00/564649800.db2.gz FUPXUGGWKSKFLU-IAGOWNOFSA-N 1 0 398.272 2.521 20 0 GFADRO C[C@H]1[NH2+]CCN(S(=O)(=O)c2ccc3ccccc3c2Br)[C@@H]1C ZINC000573684463 564650022 /nfs/dbraw/zinc/65/00/22/564650022.db2.gz WZUMERAKUMSTHB-VXGBXAGGSA-N 1 0 383.311 2.973 20 0 GFADRO C[NH2+][C@H](CC(C)(C)C)C(=O)NCc1cc(Br)c2c(c1)OCCO2 ZINC000573718505 564650329 /nfs/dbraw/zinc/65/03/29/564650329.db2.gz VYPRBEPZXUJAME-CYBMUJFWSA-N 1 0 385.302 2.861 20 0 GFADRO CCC[NH+]1CCC(NC(=O)C(=O)Nc2cc(C)cc(Br)c2)CC1 ZINC000486400198 564650761 /nfs/dbraw/zinc/65/07/61/564650761.db2.gz DISDGMPALGWXQL-UHFFFAOYSA-N 1 0 382.302 2.687 20 0 GFADRO Cn1ccnc1[C@@H]([NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1)C1CC1 ZINC000573714196 564650866 /nfs/dbraw/zinc/65/08/66/564650866.db2.gz OJEGRMQKOUHDFV-ZBFHGGJFSA-N 1 0 398.276 2.802 20 0 GFADRO C[NH+](C)CC(C)(C)NC(=O)CCOc1ccccc1I ZINC000457207239 564652735 /nfs/dbraw/zinc/65/27/35/564652735.db2.gz BKDSONOOUQRBHE-UHFFFAOYSA-N 1 0 390.265 2.517 20 0 GFADRO COC(=O)c1ccc(C[NH2+]CCC(=O)Nc2ccccn2)c(Br)c1 ZINC000551530161 564653116 /nfs/dbraw/zinc/65/31/16/564653116.db2.gz OQDZGMXPHKEMDL-UHFFFAOYSA-N 1 0 392.253 2.749 20 0 GFADRO C[C@@H]([NH2+]CCOC(C)(C)C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000573780576 564654160 /nfs/dbraw/zinc/65/41/60/564654160.db2.gz LUWQEANJLJWHNA-SNVBAGLBSA-N 1 0 379.320 2.562 20 0 GFADRO Cc1ccc2nc(C[NH2+]CCNC(=O)c3ccc(Br)cc3)cn2c1 ZINC000551560797 564654951 /nfs/dbraw/zinc/65/49/51/564654951.db2.gz LAUCYULDEDIYHI-UHFFFAOYSA-N 1 0 387.281 2.925 20 0 GFADRO C[C@H](NC(=O)[C@H]1C[N@H+](C)C[C@H]1C)c1nc(-c2ccc(Br)cc2)no1 ZINC000486617352 564659572 /nfs/dbraw/zinc/65/95/72/564659572.db2.gz SFFJUGQQTSQTKD-SUNKGSAMSA-N 1 0 393.285 2.874 20 0 GFADRO C[N@@H+]1CC[C@@H]2CCN(S(=O)(=O)c3ccc(Br)cc3Cl)[C@@H]2C1 ZINC000486670810 564662284 /nfs/dbraw/zinc/66/22/84/564662284.db2.gz MJYZNVQTCHAPME-ZWNOBZJWSA-N 1 0 393.734 2.817 20 0 GFADRO CC(C)[NH+]1CCC(NC(=O)NCc2nc3c(cccc3Br)[nH]2)CC1 ZINC000457464187 564662640 /nfs/dbraw/zinc/66/26/40/564662640.db2.gz RBCGXBRLAXKIAK-UHFFFAOYSA-N 1 0 394.317 2.997 20 0 GFADRO CCN(CCC[NH+](CC)CC)C(=O)C(=O)Nc1nc(C(F)(F)F)cs1 ZINC000551740749 564662764 /nfs/dbraw/zinc/66/27/64/564662764.db2.gz QSPRNYKSQZWGIQ-UHFFFAOYSA-N 1 0 380.436 2.681 20 0 GFADRO C[C@@H](NC(=O)NC[C@@H]1CCC[N@@H+]1CCCO)c1ccccc1Br ZINC000457457234 564662800 /nfs/dbraw/zinc/66/28/00/564662800.db2.gz LHRTWTYNPFJIFN-KGLIPLIRSA-N 1 0 384.318 2.656 20 0 GFADRO CC[N@H+](CCNC(=O)NCc1cc(Br)c2c(c1)OCCO2)C1CC1 ZINC000523188672 564663089 /nfs/dbraw/zinc/66/30/89/564663089.db2.gz BFQWCKWROQEEFZ-UHFFFAOYSA-N 1 0 398.301 2.504 20 0 GFADRO CC[NH+]1CCN([C@H]2CCN(C(=O)c3sc(C)cc3Br)C2)CC1 ZINC000457532856 564664730 /nfs/dbraw/zinc/66/47/30/564664730.db2.gz AJKXQVHQSNZCGV-ZDUSSCGKSA-N 1 0 386.359 2.671 20 0 GFADRO C[C@@H]1CN(C(=O)c2cn(Cc3ccc(Cl)cc3Cl)nn2)C[C@H]1[NH+](C)C ZINC000457610707 564667163 /nfs/dbraw/zinc/66/71/63/564667163.db2.gz KEFKIGIDRKRAEY-BDJLRTHQSA-N 1 0 382.295 2.655 20 0 GFADRO O=C(NCc1n[nH]cc1Br)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000523433594 564667381 /nfs/dbraw/zinc/66/73/81/564667381.db2.gz WLYUHQWCUUMIED-CQSZACIVSA-N 1 0 396.289 2.792 20 0 GFADRO C[C@H](NCc1cccnc1N1CC[NH+](C)CC1)c1ccc(Br)cn1 ZINC000574101669 564668794 /nfs/dbraw/zinc/66/87/94/564668794.db2.gz JCJBJSNVXSDYQY-AWEZNQCLSA-N 1 0 390.329 2.842 20 0 GFADRO COc1ccc(CNC(=O)NC[C@H]2CC[N@@H+](C(C)C)C2)cc1Br ZINC000523632142 564670257 /nfs/dbraw/zinc/67/02/57/564670257.db2.gz ACCLVCNRXJJWIY-CQSZACIVSA-N 1 0 384.318 2.987 20 0 GFADRO C[C@H]1[C@H](NC(=O)c2cn(Cc3ccc(Cl)cc3Cl)nn2)CCC[N@@H+]1C ZINC000457712710 564670393 /nfs/dbraw/zinc/67/03/93/564670393.db2.gz OTJZIEXLIRLNTH-XHDPSFHLSA-N 1 0 382.295 2.846 20 0 GFADRO CC[NH+](CC)C[C@@H](C)NC(=O)[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000523660231 564671232 /nfs/dbraw/zinc/67/12/32/564671232.db2.gz MGNPSNOYUIUOQG-CZUORRHYSA-N 1 0 396.329 2.649 20 0 GFADRO O=C(NCc1nc2c(cccc2Br)[nH]1)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000457775961 564671919 /nfs/dbraw/zinc/67/19/19/564671919.db2.gz AHSVQYBCWQQMGA-RYUDHWBXSA-N 1 0 392.301 2.751 20 0 GFADRO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCO[C@@H](c2ccc(F)c(Br)c2)C1 ZINC000487048066 564673632 /nfs/dbraw/zinc/67/36/32/564673632.db2.gz QIAMEIKYRNWIRJ-PVXIVEMSSA-N 1 0 385.277 2.686 20 0 GFADRO CCO[C@@H]1C[C@@]([NH3+])(C(=O)NCCNc2cccc(Br)c2)C1(C)C ZINC000574450658 564674108 /nfs/dbraw/zinc/67/41/08/564674108.db2.gz VNCWUNSHSVKWCN-RHSMWYFYSA-N 1 0 384.318 2.510 20 0 GFADRO C[NH+](C)C[C@@H](CNC(=O)c1csc(NC2CC2)n1)c1ccc(Cl)cc1 ZINC000552026820 564674669 /nfs/dbraw/zinc/67/46/69/564674669.db2.gz FJTMBBNTEKWALN-CYBMUJFWSA-N 1 0 378.929 3.446 20 0 GFADRO CS[C@@H]1CN(C(=O)CSc2nccn2C(C)(C)C)C[C@@H]1[NH+]1CCCC1 ZINC000487080798 564674823 /nfs/dbraw/zinc/67/48/23/564674823.db2.gz UPXLKXCZQUGXJR-LSDHHAIUSA-N 1 0 382.599 2.768 20 0 GFADRO CC[C@@H]([NH2+]CC1CN(S(=O)(=O)CC)C1)c1ccc(OC(F)(F)F)cc1 ZINC000552066985 564675573 /nfs/dbraw/zinc/67/55/73/564675573.db2.gz XESJLBISEWVKPM-OAHLLOKOSA-N 1 0 380.432 2.907 20 0 GFADRO O=C(C1=Cc2cc(Br)ccc2OC1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000524040905 564676404 /nfs/dbraw/zinc/67/64/04/564676404.db2.gz ZTDQOXLYLUYAOM-INIZCTEOSA-N 1 0 377.282 2.922 20 0 GFADRO Cc1ccc(Br)c(S(=O)(=O)NCC[NH2+][C@H]2CCC[C@H]3C[C@H]32)c1 ZINC000552089237 564676730 /nfs/dbraw/zinc/67/67/30/564676730.db2.gz DYPRQTVZMJSHER-GUTXKFCHSA-N 1 0 387.343 2.814 20 0 GFADRO CC[C@@H](C)[N@H+](C)CCNC(=O)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000524046128 564676700 /nfs/dbraw/zinc/67/67/00/564676700.db2.gz XQHSLJUIIYERMI-ZIAGYGMSSA-N 1 0 396.329 2.649 20 0 GFADRO COCCOc1c(Cl)cc(S(=O)(=O)NC(C)(C)CCC[NH3+])cc1Cl ZINC000574518671 564677751 /nfs/dbraw/zinc/67/77/51/564677751.db2.gz QGEZAXSDNMJYRZ-UHFFFAOYSA-N 1 0 399.340 2.814 20 0 GFADRO Cc1ccc(C[N@H+]2CC[C@H](CN(C)C(=O)c3ccc(C(N)=O)s3)C2)s1 ZINC000552135814 564678881 /nfs/dbraw/zinc/67/88/81/564678881.db2.gz ZUHWPRSRXNDSIT-CYBMUJFWSA-N 1 0 377.535 2.811 20 0 GFADRO CN1CCN([C@@H](C[NH2+]Cc2ccc(Br)cn2)c2cccs2)CC1 ZINC000524339652 564679687 /nfs/dbraw/zinc/67/96/87/564679687.db2.gz CMOWCAZSDWQZPD-INIZCTEOSA-N 1 0 395.370 2.984 20 0 GFADRO Cn1ncc(Br)c1C[NH2+]CC1CCN(C(=O)c2ccccc2)CC1 ZINC000487270611 564680895 /nfs/dbraw/zinc/68/08/95/564680895.db2.gz APIUVLKZALXFHF-UHFFFAOYSA-N 1 0 391.313 2.825 20 0 GFADRO CS(=O)(=O)c1ccc(OCC[NH2+]Cc2cnc(-c3ccco3)s2)cc1 ZINC000487301648 564682825 /nfs/dbraw/zinc/68/28/25/564682825.db2.gz PVCDOQOTKRWLEM-UHFFFAOYSA-N 1 0 378.475 2.975 20 0 GFADRO COc1cccc(NC(=O)C[C@H](C)[NH2+]CCn2cc(Br)cn2)c1 ZINC000552333417 564686152 /nfs/dbraw/zinc/68/61/52/564686152.db2.gz DOEUTGLOPMTCSJ-LBPRGKRZSA-N 1 0 381.274 2.661 20 0 GFADRO COc1cccc(NC(=O)C[C@@H](C)[NH2+]CCn2cc(Br)cn2)c1 ZINC000552333416 564686191 /nfs/dbraw/zinc/68/61/91/564686191.db2.gz DOEUTGLOPMTCSJ-GFCCVEGCSA-N 1 0 381.274 2.661 20 0 GFADRO Cc1cc(Br)cn2c(C[NH2+][C@@H](C3CC3)[C@@]3(CO)CCCO3)cnc12 ZINC000552422953 564690814 /nfs/dbraw/zinc/69/08/14/564690814.db2.gz KYGRUIWTPDZKPU-WMZOPIPTSA-N 1 0 394.313 2.815 20 0 GFADRO C[NH+](C)Cc1ccccc1C(=O)NCCCCn1cc(Br)cn1 ZINC000487570197 564691148 /nfs/dbraw/zinc/69/11/48/564691148.db2.gz JUHLMARBPFOZIK-UHFFFAOYSA-N 1 0 379.302 2.917 20 0 GFADRO C[N@@H+]1CCC[C@@H](CCNC(=O)c2c(F)cccc2I)C1 ZINC000458185163 564692579 /nfs/dbraw/zinc/69/25/79/564692579.db2.gz GRYNITWFEAJPJO-NSHDSACASA-N 1 0 390.240 2.892 20 0 GFADRO C[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000552523290 564694201 /nfs/dbraw/zinc/69/42/01/564694201.db2.gz CTVFZFGDNMGVAD-IUODEOHRSA-N 1 0 386.323 2.593 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)CCCC[NH+](C)C ZINC000552565806 564695972 /nfs/dbraw/zinc/69/59/72/564695972.db2.gz GQHQTZSCZGXDNV-UHFFFAOYSA-N 1 0 384.318 2.934 20 0 GFADRO CCCN(CC[NH+](C)C)C(=O)[C@@H]1CSCN1C(=O)c1ccc(Cl)cc1 ZINC000525348924 564699265 /nfs/dbraw/zinc/69/92/65/564699265.db2.gz KRBQCOVWWVEWFA-INIZCTEOSA-N 1 0 383.945 2.655 20 0 GFADRO COC[C@@H](C)CS(=O)(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000575604399 564700369 /nfs/dbraw/zinc/70/03/69/564700369.db2.gz RPMNUCZJOSOLKB-OAHLLOKOSA-N 1 0 388.961 2.754 20 0 GFADRO C[C@@H](CNC(=O)N1CC[C@]2(CC[NH2+]C2)C1)Oc1ccc(Br)cc1 ZINC000575733719 564702284 /nfs/dbraw/zinc/70/22/84/564702284.db2.gz UMPPWLDIJVOOAD-GUYCJALGSA-N 1 0 382.302 2.611 20 0 GFADRO CC[S@](=O)[C@@H]1CCC[C@@H](NC(=O)N(CC[NH+](C)C)Cc2ccsc2)C1 ZINC000458479596 564703637 /nfs/dbraw/zinc/70/36/37/564703637.db2.gz BOFKAMPVNREWTA-BFIDETRKSA-N 1 0 385.599 2.901 20 0 GFADRO O=C(NC[C@@H]1CCC[N@H+]1CCCO)N[C@H]1COc2c1ccc(Cl)c2Cl ZINC000458471255 564703794 /nfs/dbraw/zinc/70/37/94/564703794.db2.gz SKMXZEOATLZOCB-FZMZJTMJSA-N 1 0 388.295 2.573 20 0 GFADRO COC(=O)C[C@@H](NC(=O)C[N@@H+]1CCC(C)(C)C1)c1ccc(Br)cc1 ZINC000552926614 564704082 /nfs/dbraw/zinc/70/40/82/564704082.db2.gz RCSNRAQVKWGMQO-OAHLLOKOSA-N 1 0 397.313 2.901 20 0 GFADRO CSC[C@H](O)C[NH2+]C[C@@H](c1c(F)cccc1Cl)N1CCO[C@@H](C)C1 ZINC000576029243 564704492 /nfs/dbraw/zinc/70/44/92/564704492.db2.gz ZPMOVQDPLLCQCV-ZENOOKHLSA-N 1 0 376.925 2.554 20 0 GFADRO COCCOc1ccc(Br)cc1NC(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000576010362 564704810 /nfs/dbraw/zinc/70/48/10/564704810.db2.gz JUSUDLKJYPLSED-OLZOCXBDSA-N 1 0 398.301 2.548 20 0 GFADRO CC(C)CN1CCO[C@@H](C[NH2+]CCC(=O)Nc2ccc(Br)cc2)C1 ZINC000552956987 564705149 /nfs/dbraw/zinc/70/51/49/564705149.db2.gz BPIVSTYPLBMFEM-KRWDZBQOSA-N 1 0 398.345 2.724 20 0 GFADRO O[C@@H](C[NH2+]CCCn1cc(Br)cn1)COc1cccc2[nH]ccc21 ZINC000576272716 564711164 /nfs/dbraw/zinc/71/11/64/564711164.db2.gz FVCNDLJYIOQDLY-AWEZNQCLSA-N 1 0 393.285 2.547 20 0 GFADRO C[C@H](Cn1cc(Br)cn1)[NH2+][C@@H]1CCCN(C2CCCCC2)C1=O ZINC000525954686 564713620 /nfs/dbraw/zinc/71/36/20/564713620.db2.gz RQXBTSHEITUSQZ-CZUORRHYSA-N 1 0 383.334 2.947 20 0 GFADRO O=C(NCC[C@@H]1CCC[NH2+]C1)N[C@H](c1cncc(Br)c1)C1CC1 ZINC000576451074 564713711 /nfs/dbraw/zinc/71/37/11/564713711.db2.gz NFFCDJGJZINDPB-LRDDRELGSA-N 1 0 381.318 2.984 20 0 GFADRO CC[NH+](CC)C[C@@H](C)NC(=O)N[C@@H](CO)c1ccc(Br)c(F)c1 ZINC000488568464 564714282 /nfs/dbraw/zinc/71/42/82/564714282.db2.gz BBENCWSORCDCIW-ABAIWWIYSA-N 1 0 390.297 2.651 20 0 GFADRO COCC[N@@H+]1CC[C@@H](NC(=O)c2cc(Cl)c(C)cc2Br)C1 ZINC000553287531 564714283 /nfs/dbraw/zinc/71/42/83/564714283.db2.gz USZTUWAAXWYAHI-LLVKDONJSA-N 1 0 375.694 2.861 20 0 GFADRO O=C(COc1ccccc1Br)NC[C@H]1[NH2+]CCc2ccccc21 ZINC000576508473 564714541 /nfs/dbraw/zinc/71/45/41/564714541.db2.gz FLHRLVMXADSGLW-MRXNPFEDSA-N 1 0 375.266 2.831 20 0 GFADRO Cn1ccnc1[C@H](NC(=O)Cc1cccc(I)c1)C1CC1 ZINC000553284350 564714604 /nfs/dbraw/zinc/71/46/04/564714604.db2.gz SRRUSCIRNRVONG-OAHLLOKOSA-N 1 0 395.244 2.835 20 0 GFADRO CC[C@@H](C)[N@H+](C)CCNC(=O)N[C@H](CO)c1ccc(Br)c(F)c1 ZINC000488642714 564716438 /nfs/dbraw/zinc/71/64/38/564716438.db2.gz KNTZBJLYCYULNO-IAQYHMDHSA-N 1 0 390.297 2.651 20 0 GFADRO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000553343947 564716483 /nfs/dbraw/zinc/71/64/83/564716483.db2.gz ZTKUTBHAUFJTBN-UHFFFAOYSA-N 1 0 386.323 2.942 20 0 GFADRO CCN1CCN(C(=O)c2ccn(-c3cccc(Br)c3)n2)[C@H](C)C1 ZINC000553331103 564716625 /nfs/dbraw/zinc/71/66/25/564716625.db2.gz UXNFRBJTXHPSRD-CYBMUJFWSA-N 1 0 377.286 2.801 20 0 GFADRO CC[N@H+](CCOC)[C@H](C)C(=O)Nc1ccc(I)cc1 ZINC000488764928 564719801 /nfs/dbraw/zinc/71/98/01/564719801.db2.gz VIKDSQKXDNRLEY-LLVKDONJSA-N 1 0 376.238 2.587 20 0 GFADRO O=C(Nc1ccc(Br)cn1)[C@H]1CCC[N@H+](CC[C@H]2CCOC2)C1 ZINC000526114155 564720302 /nfs/dbraw/zinc/72/03/02/564720302.db2.gz YVUJZYGARCKRDH-KBPBESRZSA-N 1 0 382.302 2.921 20 0 GFADRO C[C@H](C[N@@H+]1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1)c1cccc(Cl)c1 ZINC000526113117 564720907 /nfs/dbraw/zinc/72/09/07/564720907.db2.gz KIZDKZUXFGRKGD-CRAIPNDOSA-N 1 0 386.945 2.570 20 0 GFADRO CN(CC[NH+]1CCCC1)S(=O)(=O)c1cc(Br)cc2cccnc21 ZINC000553480104 564722545 /nfs/dbraw/zinc/72/25/45/564722545.db2.gz AWPMENZIPVYACA-UHFFFAOYSA-N 1 0 398.326 2.714 20 0 GFADRO C[C@H]([NH2+]CCNc1ncc(C(F)(F)F)cc1Cl)C1CCS(=O)(=O)CC1 ZINC000526989077 564724600 /nfs/dbraw/zinc/72/46/00/564724600.db2.gz VMUKLBJNXQWEGA-JTQLQIEISA-N 1 0 399.866 2.969 20 0 GFADRO Cc1nc(CNC(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)sc1Br ZINC000458932668 564724759 /nfs/dbraw/zinc/72/47/59/564724759.db2.gz RAXLNWJKCNTAFN-GXSJLCMTSA-N 1 0 375.336 2.696 20 0 GFADRO O=C(CCCc1ccc(Br)s1)NCC[NH+]1CCSCC1 ZINC000488980489 564726007 /nfs/dbraw/zinc/72/60/07/564726007.db2.gz XFUWBXUQRQLCEL-UHFFFAOYSA-N 1 0 377.373 2.998 20 0 GFADRO C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)[C@H]1CCOC1 ZINC000577245638 564731080 /nfs/dbraw/zinc/73/10/80/564731080.db2.gz PSPRTVYSYIKNJN-AWEZNQCLSA-N 1 0 395.352 2.866 20 0 GFADRO COCC[NH2+]C1CCN(C(=O)c2cc(Br)ccc2Cl)CC1 ZINC000577288166 564732249 /nfs/dbraw/zinc/73/22/49/564732249.db2.gz VGGNMKZAAATMCJ-UHFFFAOYSA-N 1 0 375.694 2.943 20 0 GFADRO CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000553700442 564732783 /nfs/dbraw/zinc/73/27/83/564732783.db2.gz ZJYUDVIQCXPZKI-CYBMUJFWSA-N 1 0 383.945 2.883 20 0 GFADRO CC[N@H+](CCOc1ccc(Br)cc1)[C@H](C)C(=O)NC(=O)NC1CC1 ZINC000489331796 564735846 /nfs/dbraw/zinc/73/58/46/564735846.db2.gz SWLYFBBCSAAUQS-GFCCVEGCSA-N 1 0 398.301 2.527 20 0 GFADRO O=C(NCC[N@H+]1CC=CCC1)c1cnn(-c2cccc(Br)c2)c1 ZINC000527268578 564736115 /nfs/dbraw/zinc/73/61/15/564736115.db2.gz WZRZTXUGGWCSMP-UHFFFAOYSA-N 1 0 375.270 2.627 20 0 GFADRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)NCc1nc2c(cccc2Br)[nH]1 ZINC000459225674 564737349 /nfs/dbraw/zinc/73/73/49/564737349.db2.gz XUIYMNIFLPMSDE-BXUZGUMPSA-N 1 0 394.317 2.807 20 0 GFADRO Cc1cc(Br)ccc1CC(=O)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000489382974 564737903 /nfs/dbraw/zinc/73/79/03/564737903.db2.gz FQCSPQXXVLZHTM-UHFFFAOYSA-N 1 0 396.373 2.784 20 0 GFADRO NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1CC1=Cc2cc(Br)ccc2OC1 ZINC000527303314 564738142 /nfs/dbraw/zinc/73/81/42/564738142.db2.gz IDKYPTJUVQLMQF-VMGRFDJRSA-N 1 0 377.282 2.811 20 0 GFADRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)NCCOc2ccc(Br)cc2)C1 ZINC000489416891 564738443 /nfs/dbraw/zinc/73/84/43/564738443.db2.gz XDNLYKBREVMRKU-GJZGRUSLSA-N 1 0 384.318 3.000 20 0 GFADRO C[N@@H+]1CCC[C@H](CCNC(=O)N[C@@H](CCO)c2ccccc2Br)C1 ZINC000459293939 564738489 /nfs/dbraw/zinc/73/84/89/564738489.db2.gz INILXDMJRSDRGY-PBHICJAKSA-N 1 0 398.345 2.904 20 0 GFADRO C[C@H](CNC(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)Oc1ccccc1Br ZINC000577998779 564739240 /nfs/dbraw/zinc/73/92/40/564739240.db2.gz YFUCVNYAAMZPTC-CBBWQLFWSA-N 1 0 396.329 2.904 20 0 GFADRO O=S(=O)(N[C@@H]1C[NH2+]C[C@H]1c1ccccc1)c1ccc(C(F)(F)F)s1 ZINC000578176128 564742442 /nfs/dbraw/zinc/74/24/42/564742442.db2.gz PQSLUILBEUHUTG-NWDGAFQWSA-N 1 0 376.425 2.801 20 0 GFADRO Cc1cc(S(=O)(=O)N2CCCC[C@H]2[C@@H](C)[NH3+])c(F)cc1Br ZINC000578357108 564743455 /nfs/dbraw/zinc/74/34/55/564743455.db2.gz VSEAGCSOBAWSPY-MFKMUULPSA-N 1 0 379.295 2.787 20 0 GFADRO CCOc1cc(C[NH2+][C@H]2CCO[C@@]3(CCOC3)C2)cc(Br)c1O ZINC000459464109 564745551 /nfs/dbraw/zinc/74/55/51/564745551.db2.gz MFYNKHANLOBEDC-GUYCJALGSA-N 1 0 386.286 2.981 20 0 GFADRO C[C@H](NC(=O)N1CCO[C@@H](c2cccc(Br)c2)C1)[C@@H]1CCC[NH2+]C1 ZINC000579333633 564747386 /nfs/dbraw/zinc/74/73/86/564747386.db2.gz RAESFRFFTZSPCB-YSVLISHTSA-N 1 0 396.329 2.920 20 0 GFADRO O=C(NC[C@H]1C[NH2+]CCCO1)N1CCC(Sc2ccc(Cl)cc2)CC1 ZINC000579333727 564747468 /nfs/dbraw/zinc/74/74/68/564747468.db2.gz YRPZERRYMWGVIV-OAHLLOKOSA-N 1 0 383.945 2.985 20 0 GFADRO CCO[C@@H]1C[C@@H]([NH2+]CCCNS(=O)(=O)c2ccccc2Cl)[C@@H]1SC ZINC000459541815 564749410 /nfs/dbraw/zinc/74/94/10/564749410.db2.gz NEBQPQGIOQORJA-FMKPAKJESA-N 1 0 392.974 2.507 20 0 GFADRO COc1cc(C(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)cc(Br)c1OC ZINC000554142375 564751771 /nfs/dbraw/zinc/75/17/71/564751771.db2.gz PODHGNXMHHJPOZ-QGZVFWFLSA-N 1 0 383.286 2.634 20 0 GFADRO CC(C)(C(=O)N1CCc2ccc(F)c(Br)c2C1)N1CCOCC1 ZINC000527628706 564752144 /nfs/dbraw/zinc/75/21/44/564752144.db2.gz SONHVRRFCJCGBZ-UHFFFAOYSA-N 1 0 385.277 2.584 20 0 GFADRO CN(Cc1ccccc1Br)C(=O)CCNC(=O)CCCC[NH+](C)C ZINC000554182865 564752950 /nfs/dbraw/zinc/75/29/50/564752950.db2.gz VPLCVCNEDGVZQK-UHFFFAOYSA-N 1 0 398.345 2.646 20 0 GFADRO CCN1CC[NH+](C[C@H](C)CNCc2ncc(Cl)cc2Br)CC1 ZINC000527654242 564753382 /nfs/dbraw/zinc/75/33/82/564753382.db2.gz SFDLLMMBQVWJJM-CYBMUJFWSA-N 1 0 389.769 2.861 20 0 GFADRO O[C@H]1CCC[C@@H]1[NH+]1CCC(NCc2ncc(Cl)cc2Br)CC1 ZINC000527674988 564754354 /nfs/dbraw/zinc/75/43/54/564754354.db2.gz NSYINSHTCBYKFV-HOTGVXAUSA-N 1 0 388.737 2.965 20 0 GFADRO COc1ccc(Cl)c(S(=O)(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)c1 ZINC000489825741 564754665 /nfs/dbraw/zinc/75/46/65/564754665.db2.gz NVFCVSQZHSAGHT-OAHLLOKOSA-N 1 0 382.913 2.800 20 0 GFADRO C[C@@H](Cc1ccccc1C(F)(F)F)[N@H+](C)C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000554275405 564755583 /nfs/dbraw/zinc/75/55/83/564755583.db2.gz UBPZIQCLTJXVMP-KBPBESRZSA-N 1 0 378.460 2.850 20 0 GFADRO OC[C@H](C[NH2+]Cc1c[nH]nc1-c1ccc(Br)s1)[C@H]1CCOC1 ZINC000527700921 564756121 /nfs/dbraw/zinc/75/61/21/564756121.db2.gz LNMBUPJWCHLZNW-JQWIXIFHSA-N 1 0 386.315 2.635 20 0 GFADRO CCOC1CC(C[NH2+]Cc2ccsc2Br)(N2CCOCC2)C1 ZINC000527701630 564756305 /nfs/dbraw/zinc/75/63/05/564756305.db2.gz VTLNDMHKDBGMTN-UHFFFAOYSA-N 1 0 389.359 2.870 20 0 GFADRO COc1cccc(C[NH2+]C[C@@H](CO)Cc2cc(F)cc(Br)c2)n1 ZINC000459698699 564757668 /nfs/dbraw/zinc/75/76/68/564757668.db2.gz KZFCYIWSMMNMDE-ZDUSSCGKSA-N 1 0 383.261 2.933 20 0 GFADRO C[C@]1(CNC(=O)c2ncc(Br)cc2Br)CCC[NH2+]C1 ZINC000580421995 564758586 /nfs/dbraw/zinc/75/85/86/564758586.db2.gz SQKQZKIFWORQHN-ZDUSSCGKSA-N 1 0 391.107 2.726 20 0 GFADRO NC(=O)c1cccc(C[NH2+]C[C@H](CO)Cc2cc(F)cc(Br)c2)c1 ZINC000459714526 564758678 /nfs/dbraw/zinc/75/86/78/564758678.db2.gz XRWFOGFLKOZXHD-CQSZACIVSA-N 1 0 395.272 2.628 20 0 GFADRO CO[C@H]1C[C@@H]([NH2+]CCS(=O)(=O)c2cccc(Br)c2)C12CCC2 ZINC000459738118 564759795 /nfs/dbraw/zinc/75/97/95/564759795.db2.gz AAMAGNQZCAFTPU-CABCVRRESA-N 1 0 388.327 2.770 20 0 GFADRO C[C@H](CNC(=O)C(=O)N[C@@H](C)Cc1ccc(Cl)cc1Cl)[N@H+](C)C1CC1 ZINC000580462980 564760536 /nfs/dbraw/zinc/76/05/36/564760536.db2.gz YBXUSIWLADMGLU-NWDGAFQWSA-N 1 0 386.323 2.640 20 0 GFADRO CC[C@H](NC(=O)C(=O)NCC1CC[NH+](C2CC2)CC1)c1ccc(Cl)s1 ZINC000554437143 564761155 /nfs/dbraw/zinc/76/11/55/564761155.db2.gz GVXLIRSNQOQGPG-AWEZNQCLSA-N 1 0 383.945 2.959 20 0 GFADRO CC(=O)N1CCN(CC[NH2+][C@@H](C)c2cc(F)c(Br)cc2F)CC1 ZINC000527854035 564763509 /nfs/dbraw/zinc/76/35/09/564763509.db2.gz VWXGCUJCLQEZCV-NSHDSACASA-N 1 0 390.272 2.542 20 0 GFADRO O=S(=O)(C[C@H](O)C[NH2+][C@H]1CCc2cc(F)c(Cl)cc21)c1cccs1 ZINC000527874444 564763546 /nfs/dbraw/zinc/76/35/46/564763546.db2.gz CWCOFLCMUSNOPU-ABAIWWIYSA-N 1 0 389.901 2.952 20 0 GFADRO CC(C)[C@@H](C(=O)N1CCN(Cc2ccc(Br)cc2)CC1)[C@H](C)[NH3+] ZINC000580556347 564763775 /nfs/dbraw/zinc/76/37/75/564763775.db2.gz MMETWBSSQVTDBK-WMLDXEAASA-N 1 0 382.346 2.713 20 0 GFADRO CN1CC[N@H+](CCCNC(=O)[C@@H]2C[C@@]2(C)Br)[C@@H](c2ccccc2)C1 ZINC000527898429 564764188 /nfs/dbraw/zinc/76/41/88/564764188.db2.gz OSTBEDQDBAWDPS-YQVWRLOYSA-N 1 0 394.357 2.655 20 0 GFADRO Cc1cccc(N2CC[NH+](CCCNC(=O)[C@@H]3C[C@]3(C)Br)CC2)c1 ZINC000527909788 564764340 /nfs/dbraw/zinc/76/43/40/564764340.db2.gz SHHQENVJGGJPPN-HKUYNNGSSA-N 1 0 394.357 2.797 20 0 GFADRO CN1CC[N@H+](CCCNC(=O)[C@@H]2C[C@@]2(C)Br)[C@H](c2ccccc2)C1 ZINC000527898414 564764374 /nfs/dbraw/zinc/76/43/74/564764374.db2.gz OSTBEDQDBAWDPS-JENIJYKNSA-N 1 0 394.357 2.655 20 0 GFADRO O=C(N[C@H]1COc2cc(F)c(Br)cc21)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000554532292 564764785 /nfs/dbraw/zinc/76/47/85/564764785.db2.gz XZEHLMKKERHXFJ-XPTSAGLGSA-N 1 0 384.249 2.558 20 0 GFADRO C[C@H]([NH2+]C[C@@H](n1cccn1)C(F)(F)F)c1ccc(NS(C)(=O)=O)cc1 ZINC000527929516 564765282 /nfs/dbraw/zinc/76/52/82/564765282.db2.gz DCOWUWVPMWRRJL-SMDDNHRTSA-N 1 0 376.404 2.709 20 0 GFADRO CN(C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000554559881 564765712 /nfs/dbraw/zinc/76/57/12/564765712.db2.gz GHZIQWZUSRROKP-ZTFRIQLXSA-N 1 0 384.307 2.830 20 0 GFADRO CS(=O)(=O)[C@@H]1CCCC[C@@H]1[NH2+]CCc1cnc(SC2CCCC2)nc1 ZINC000580633479 564767738 /nfs/dbraw/zinc/76/77/38/564767738.db2.gz MFPQWJCCTWHCEZ-DLBZAZTESA-N 1 0 383.583 2.999 20 0 GFADRO O=S(=O)(N[C@H]1CC[NH2+]C12CCC2)c1ccc(Cl)c(Br)c1 ZINC000528051200 564768302 /nfs/dbraw/zinc/76/83/02/564768302.db2.gz IPZOKWZQCUUNGE-LBPRGKRZSA-N 1 0 379.707 2.665 20 0 GFADRO C[C@@H]([NH2+]CCCn1cc(Br)cn1)c1ccccc1-n1ccnn1 ZINC000490359203 564768974 /nfs/dbraw/zinc/76/89/74/564768974.db2.gz AZIBDHCNRRDDOZ-CYBMUJFWSA-N 1 0 375.274 2.967 20 0 GFADRO CS[C@@H]1CN(C(=O)COc2ccccc2Br)C[C@H]1[NH+]1CCCC1 ZINC000460112956 564769909 /nfs/dbraw/zinc/76/99/09/564769909.db2.gz RNJZIOQPFVVBKT-GDBMZVCRSA-N 1 0 399.354 2.866 20 0 GFADRO C[N@@H+]1CCCN(c2ccc(-c3noc([C@H]4C[C@@]4(C)Br)n3)cn2)CC1 ZINC000528123509 564770860 /nfs/dbraw/zinc/77/08/60/564770860.db2.gz YUZSDRHWRRGYDQ-CXAGYDPISA-N 1 0 392.301 2.914 20 0 GFADRO O=C(NCC[C@H]1CC[NH2+]C1)Nc1ccnn1Cc1ccccc1Br ZINC000580761927 564772698 /nfs/dbraw/zinc/77/26/98/564772698.db2.gz BUKGKYONTBKADD-CYBMUJFWSA-N 1 0 392.301 2.815 20 0 GFADRO CS[C@H]1CN(CC(=O)Nc2ccccc2Br)C[C@H]1[NH+]1CCCC1 ZINC000460353173 564774241 /nfs/dbraw/zinc/77/42/41/564774241.db2.gz PKAQOJNJJCTHAC-CVEARBPZSA-N 1 0 398.370 2.899 20 0 GFADRO CN1CCN(C(=O)CC[N@@H+]2CCC[C@H]2c2ccc(Br)c(F)c2)CC1 ZINC000554842586 564774298 /nfs/dbraw/zinc/77/42/98/564774298.db2.gz HVHJVMQMPMOVNM-KRWDZBQOSA-N 1 0 398.320 2.889 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)N1CCOc2ccc(Br)cc2C1 ZINC000554901283 564776323 /nfs/dbraw/zinc/77/63/23/564776323.db2.gz DZJRCSSNEGWXJC-CQSZACIVSA-N 1 0 380.286 2.590 20 0 GFADRO O=C(N[C@H]1CC[N@@H+](C2CC2)C1)N1CCOc2ccc(Br)cc2C1 ZINC000554901273 564776610 /nfs/dbraw/zinc/77/66/10/564776610.db2.gz DZJRCSSNEGWXJC-AWEZNQCLSA-N 1 0 380.286 2.590 20 0 GFADRO CC[NH+]1CCN(c2nnc(-c3cc(Br)cn3C)n2CC(C)C)CC1 ZINC000460621215 564777833 /nfs/dbraw/zinc/77/78/33/564777833.db2.gz WLSPANBOLRAZGE-UHFFFAOYSA-N 1 0 395.349 2.844 20 0 GFADRO CS(=O)(=O)[C@H]1CCC[C@@H]([NH2+]Cc2cn3ccc(Br)cc3n2)C1 ZINC000554972288 564780296 /nfs/dbraw/zinc/78/02/96/564780296.db2.gz IWJGEUYSTDLVHI-OCCSQVGLSA-N 1 0 386.315 2.542 20 0 GFADRO CC[N@@H+]1CCC[C@@H](CNC(=O)C(C)(C)S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000490757309 564781595 /nfs/dbraw/zinc/78/15/95/564781595.db2.gz KXWNLARGRXYGCS-AWEZNQCLSA-N 1 0 386.945 2.740 20 0 GFADRO [NH3+]CC[C@@H](NC(=O)[C@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1)C(F)F ZINC000581071174 564786553 /nfs/dbraw/zinc/78/65/53/564786553.db2.gz IODKNBLZKYBMPL-CHWSQXEVSA-N 1 0 394.249 2.697 20 0 GFADRO COCC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)[C@@H](O)c2cc(Cl)cc(Cl)c2)C1 ZINC000528470312 564786906 /nfs/dbraw/zinc/78/69/06/564786906.db2.gz DTOPYVYVLFXAHI-CVEARBPZSA-N 1 0 389.323 2.890 20 0 GFADRO O=S(=O)(Cc1ccc(Br)cc1)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000581072205 564787028 /nfs/dbraw/zinc/78/70/28/564787028.db2.gz TUGIWXAFMGVGBP-HUUCEWRRSA-N 1 0 387.343 2.600 20 0 GFADRO O=C(N[C@H](CO)C[NH+]1CCCCC1)C1(c2ccc(Br)cc2)CCC1 ZINC000581098793 564788044 /nfs/dbraw/zinc/78/80/44/564788044.db2.gz LBPJPUBZCIOPGC-KRWDZBQOSA-N 1 0 395.341 2.834 20 0 GFADRO C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@H](CCO)C1CCOCC1 ZINC000461100446 564789190 /nfs/dbraw/zinc/78/91/90/564789190.db2.gz XAJCAEWYDOJZNL-SUMWQHHRSA-N 1 0 399.329 2.933 20 0 GFADRO O=S(=O)(NCCCCC[NH+]1CCCC1)c1ccc(OC(F)F)c(F)c1 ZINC000555414531 564792609 /nfs/dbraw/zinc/79/26/09/564792609.db2.gz UDOWRVBWLXRMMC-UHFFFAOYSA-N 1 0 380.432 2.972 20 0 GFADRO O=S(=O)(NC[C@@H]1CC[N@@H+]1C1CCCC1)c1ccccc1OC(F)(F)F ZINC000528546350 564793210 /nfs/dbraw/zinc/79/32/10/564793210.db2.gz KIQJYLXATJRCGX-ZDUSSCGKSA-N 1 0 378.416 2.880 20 0 GFADRO CS(=O)(=O)N1CC[C@H]([NH2+][C@@H]2CCCOc3c(Cl)c(Cl)ccc32)C1 ZINC000581255637 564794515 /nfs/dbraw/zinc/79/45/15/564794515.db2.gz LFZCPEKREPYKDM-GXFFZTMASA-N 1 0 379.309 2.831 20 0 GFADRO CC[C@H]([NH2+][C@H]1CCc2cc(Br)cc(C)c21)C(=O)N1CCOCC1 ZINC000492044843 564797343 /nfs/dbraw/zinc/79/73/43/564797343.db2.gz KNWSZVLBKWPFQA-HOTGVXAUSA-N 1 0 381.314 2.972 20 0 GFADRO CCC(CC)(C[NH3+])C(=O)N[C@@H]1CCN(c2ccc(Br)c(C)c2)C1=O ZINC000581371062 564799703 /nfs/dbraw/zinc/79/97/03/564799703.db2.gz LXKAZAYWKBBAGU-OAHLLOKOSA-N 1 0 396.329 2.744 20 0 GFADRO COc1cc(OC)c(NC(=O)N2CC[NH2+]C[C@H]2C(C)C)cc1Br ZINC000528688072 564800630 /nfs/dbraw/zinc/80/06/30/564800630.db2.gz LXJJOVVWDQMRLA-ZDUSSCGKSA-N 1 0 386.290 2.928 20 0 GFADRO O=C(NC[C@@H]1COCC[NH2+]1)Nc1ccc(C(F)(F)F)c(Br)c1 ZINC000528686563 564800962 /nfs/dbraw/zinc/80/09/62/564800962.db2.gz GFGZKDOHHIHTHD-SECBINFHSA-N 1 0 382.180 2.578 20 0 GFADRO CCSc1cccc(C[NH2+]Cc2cnn([C@]3(C)CCS(=O)(=O)C3)c2)c1 ZINC000492434338 564801468 /nfs/dbraw/zinc/80/14/68/564801468.db2.gz BXYJIYPLUYNSCB-GOSISDBHSA-N 1 0 379.551 2.819 20 0 GFADRO CC1([NH+]2CCOCC2)CCN(CC(=O)Nc2ccc(Br)cc2)CC1 ZINC000528728196 564802109 /nfs/dbraw/zinc/80/21/09/564802109.db2.gz MRDGZPIMYIWNSF-UHFFFAOYSA-N 1 0 396.329 2.574 20 0 GFADRO O=C1[C@H]([NH2+]Cc2cc(Br)c3c(c2)OCCCO3)C[C@@H]2CCCCN12 ZINC000581471000 564804720 /nfs/dbraw/zinc/80/47/20/564804720.db2.gz SYLFVCHYEHXWFD-DZGCQCFKSA-N 1 0 395.297 2.853 20 0 GFADRO Cc1nc(CNC(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)sc1Br ZINC000581538480 564806920 /nfs/dbraw/zinc/80/69/20/564806920.db2.gz IEVYPQOFIAYZIP-RYUDHWBXSA-N 1 0 387.347 2.745 20 0 GFADRO C[C@H](CNS(=O)(=O)Cc1cccc(Br)c1)[NH+]1CCC(C)CC1 ZINC000555948035 564809708 /nfs/dbraw/zinc/80/97/08/564809708.db2.gz PKOXYWXEGCWEPT-CQSZACIVSA-N 1 0 389.359 2.989 20 0 GFADRO CC(C)[N@H+](C)C[C@H](C)NC(=O)N[C@@H](CCO)c1ccccc1Br ZINC000462008856 564811183 /nfs/dbraw/zinc/81/11/83/564811183.db2.gz JSOPNMCZPVFRKF-BBRMVZONSA-N 1 0 386.334 2.901 20 0 GFADRO O=C(C[NH2+]C[C@H]1CCCO1)N[C@H]1CCCN(c2ccc(Cl)cc2Cl)C1 ZINC000581662067 564812559 /nfs/dbraw/zinc/81/25/59/564812559.db2.gz SSWPIEQAXJRGAQ-LSDHHAIUSA-N 1 0 386.323 2.847 20 0 GFADRO CC(C)S(=O)(=O)c1c(Cl)cccc1NC(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000556090989 564812497 /nfs/dbraw/zinc/81/24/97/564812497.db2.gz AEUKBYDUSUONFV-ZDUSSCGKSA-N 1 0 387.933 2.938 20 0 GFADRO O=S(=O)(Cc1ccc(Br)cc1)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000581657827 564812699 /nfs/dbraw/zinc/81/26/99/564812699.db2.gz QITZALKFWVAIAB-JKSUJKDBSA-N 1 0 387.343 2.885 20 0 GFADRO O[C@@H](C[NH2+]C1CCN(CC(F)(F)F)CC1)COCc1ccccc1Cl ZINC000581661864 564812744 /nfs/dbraw/zinc/81/27/44/564812744.db2.gz GPHCEXUPWZSURK-HNNXBMFYSA-N 1 0 380.838 2.834 20 0 GFADRO C[C@@H]1CN(Cc2nc(-c3cccc(Br)c3)c[nH]2)C[C@H](C)[N@H+]1CCO ZINC000556158479 564814009 /nfs/dbraw/zinc/81/40/09/564814009.db2.gz SJSWMYZFEQQVPJ-OKILXGFUSA-N 1 0 393.329 2.726 20 0 GFADRO CC[N@H+](CC(=O)N1CCN(Cc2ccc(Br)c(F)c2)CC1)C1CC1 ZINC000493960402 564814931 /nfs/dbraw/zinc/81/49/31/564814931.db2.gz AVDXMWKLFLEGJK-UHFFFAOYSA-N 1 0 398.320 2.717 20 0 GFADRO CCOc1cc(C[NH2+][C@H]2C[C@@H]3CCCCN3C2=O)cc(Br)c1O ZINC000581711921 564815062 /nfs/dbraw/zinc/81/50/62/564815062.db2.gz AWXXMWZSAPVMTL-JSGCOSHPSA-N 1 0 383.286 2.796 20 0 GFADRO CC[N@H+](CCNS(=O)(=O)CCc1ccccc1Br)C(C)C ZINC000462074478 564815759 /nfs/dbraw/zinc/81/57/59/564815759.db2.gz CELWSBPIXPREEL-UHFFFAOYSA-N 1 0 377.348 2.641 20 0 GFADRO Cc1nc2ccc(C[NH2+]C[C@@H](O)CS(=O)(=O)c3cccs3)cc2s1 ZINC000494179615 564819038 /nfs/dbraw/zinc/81/90/38/564819038.db2.gz NPQQKAXFEKNEFR-CYBMUJFWSA-N 1 0 382.532 2.591 20 0 GFADRO CC(C)[NH2+]CCCNC(=O)N1CCN(Cc2ccc(Br)cc2)CC1 ZINC000581874278 564820743 /nfs/dbraw/zinc/82/07/43/564820743.db2.gz CILYIZMYGYKESM-UHFFFAOYSA-N 1 0 397.361 2.664 20 0 GFADRO Cc1sc2ncnc(SCCC(=O)N[C@@H]3C[NH2+]CCC3(F)F)c2c1C ZINC000581885072 564821505 /nfs/dbraw/zinc/82/15/05/564821505.db2.gz CYJRHEPVKAGYHA-LLVKDONJSA-N 1 0 386.493 2.904 20 0 GFADRO CC[NH+]1CCC(N2CCCN(S(=O)(=O)c3cc(C)sc3C)CC2)CC1 ZINC000581881664 564821894 /nfs/dbraw/zinc/82/18/94/564821894.db2.gz AQZDNVFIYIZSLV-UHFFFAOYSA-N 1 0 385.599 2.546 20 0 GFADRO C[C@@H]1CN(C(=O)Nc2cnn(-c3ncc(Cl)cc3Cl)c2)C[C@H]1[NH+](C)C ZINC000494295539 564823110 /nfs/dbraw/zinc/82/31/10/564823110.db2.gz LGTDAVCLDJDCHC-QMTHXVAHSA-N 1 0 383.283 2.988 20 0 GFADRO O=C1CC[C@H]([NH2+]Cc2cn(-c3cccc(Cl)c3Cl)nn2)[C@@H](C2CC2)N1 ZINC000556428877 564825609 /nfs/dbraw/zinc/82/56/09/564825609.db2.gz BIQPSWJUGBVBCY-SUMWQHHRSA-N 1 0 380.279 2.721 20 0 GFADRO Cc1nn(C)c(C)c1CCC[NH2+]C[C@@H](O)COc1ccc(Br)cc1 ZINC000582058178 564829547 /nfs/dbraw/zinc/82/95/47/564829547.db2.gz RJVPTXCDKHPPNN-MRXNPFEDSA-N 1 0 396.329 2.762 20 0 GFADRO O=C(NCc1cc(F)c(Br)cc1F)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000529338291 564830337 /nfs/dbraw/zinc/83/03/37/564830337.db2.gz CHCGCKJEYWNFRI-JFGNBEQYSA-N 1 0 388.256 2.915 20 0 GFADRO CO[C@H]1C[C@@H](CN(C)C(=O)c2ccc(Br)c3c2OCCC3)[N@H+](C)C1 ZINC000494496191 564831519 /nfs/dbraw/zinc/83/15/19/564831519.db2.gz WOCWVLLKKMFWBY-STQMWFEESA-N 1 0 397.313 2.565 20 0 GFADRO C[C@H]([NH2+][C@H]1CCO[C@@H]1C1CC1)C(=O)N(C)Cc1ccc(Br)cc1 ZINC000494466786 564831576 /nfs/dbraw/zinc/83/15/76/564831576.db2.gz PVLIRFDTIBAEKD-AFAVFJNCSA-N 1 0 381.314 2.953 20 0 GFADRO CC[C@@H](CCc1ccc(Br)cc1)[NH2+]CCn1cc(C(=O)OC)nn1 ZINC000556610357 564832099 /nfs/dbraw/zinc/83/20/99/564832099.db2.gz GATSAGWUVPEMBQ-HNNXBMFYSA-N 1 0 395.301 2.828 20 0 GFADRO OC[C@H](Cc1ccc(F)cc1)[NH2+]Cc1cn2ccc(Br)cc2n1 ZINC000582151344 564833506 /nfs/dbraw/zinc/83/35/06/564833506.db2.gz UJANMPSFWYKDFZ-HNNXBMFYSA-N 1 0 378.245 2.929 20 0 GFADRO COc1cc(OC)c(NC(=O)C[NH2+][C@@H](CO)c2sccc2C)cc1Cl ZINC000494625938 564835930 /nfs/dbraw/zinc/83/59/30/564835930.db2.gz MTDODGNSSMSIOZ-ZDUSSCGKSA-N 1 0 384.885 2.989 20 0 GFADRO Cc1[nH+]c2ccc(Br)cc2c(NCCC(=O)N2CCOCC2)c1C ZINC000462380194 564836013 /nfs/dbraw/zinc/83/60/13/564836013.db2.gz KEQKQAOEHNMQAQ-UHFFFAOYSA-N 1 0 392.297 2.697 20 0 GFADRO O=C(CC[C@@H]1CCC[NH2+]1)NC[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000494671142 564836344 /nfs/dbraw/zinc/83/63/44/564836344.db2.gz VEHKIIKYFNAHRF-HOCLYGCPSA-N 1 0 380.330 2.924 20 0 GFADRO C[C@H](NC1CC[NH+](Cc2ccccn2)CC1)c1ncc(Br)cn1 ZINC000582255526 564837696 /nfs/dbraw/zinc/83/76/96/564837696.db2.gz ADLRSGUICUIXCH-ZDUSSCGKSA-N 1 0 376.302 2.949 20 0 GFADRO CC(C)[N@H+](C)C[C@@H](C)NC(=O)N[C@H](CCO)c1ccccc1Br ZINC000462524994 564845300 /nfs/dbraw/zinc/84/53/00/564845300.db2.gz JSOPNMCZPVFRKF-CZUORRHYSA-N 1 0 386.334 2.901 20 0 GFADRO CO[C@@H](C)[C@@H](C)NC(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000462517326 564845348 /nfs/dbraw/zinc/84/53/48/564845348.db2.gz KQHLKJUCZHPADT-KGLIPLIRSA-N 1 0 386.334 2.946 20 0 GFADRO Cc1cc(Br)c(S(=O)(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)s1 ZINC000462533688 564846523 /nfs/dbraw/zinc/84/65/23/564846523.db2.gz VFDNWQVWRRTUNI-VXGBXAGGSA-N 1 0 379.345 2.724 20 0 GFADRO O=S(=O)(c1cccc2c(Cl)ccnc21)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000582486960 564848287 /nfs/dbraw/zinc/84/82/87/564848287.db2.gz HIEXXRIBSRKFOL-ZIAGYGMSSA-N 1 0 379.913 2.898 20 0 GFADRO COc1cc(C)c(Br)cc1C(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000557010893 564850977 /nfs/dbraw/zinc/85/09/77/564850977.db2.gz ZSZKTENJYIZWMC-CYBMUJFWSA-N 1 0 399.329 2.683 20 0 GFADRO [NH3+]C[C@H]1CCCC[C@]12NC(=O)N(Cc1csc(-c3cccs3)n1)C2=O ZINC000582544265 564851386 /nfs/dbraw/zinc/85/13/86/564851386.db2.gz CKLYBYZIVDHVOZ-DIFFPNOSSA-N 1 0 376.507 2.811 20 0 GFADRO CS[C@@H]1CN(C(=O)c2ccccc2OCc2cscn2)C[C@H]1[NH+](C)C ZINC000495635097 564855785 /nfs/dbraw/zinc/85/57/85/564855785.db2.gz ITKUXCFHJGVRIF-NVXWUHKLSA-N 1 0 377.535 2.840 20 0 GFADRO CC1([NH+]2CCOCC2)CCN(C(=O)[C@@H](O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000529911283 564855994 /nfs/dbraw/zinc/85/59/94/564855994.db2.gz NFZRJMUJOUTQFT-INIZCTEOSA-N 1 0 387.307 2.740 20 0 GFADRO CC[NH+](CC)CCN(C(=O)[C@H]1CCO[C@@H]1C)c1ccc(Br)cn1 ZINC000582787970 564862347 /nfs/dbraw/zinc/86/23/47/564862347.db2.gz BDHHMULWMZPSGB-HIFRSBDPSA-N 1 0 384.318 2.944 20 0 GFADRO [NH3+]CCC1CCN(Cc2nc(Cc3cccc(Br)c3)no2)CC1 ZINC000582791221 564862506 /nfs/dbraw/zinc/86/25/06/564862506.db2.gz ROIYZWSDYBUQHO-UHFFFAOYSA-N 1 0 379.302 2.984 20 0 GFADRO NC(=O)[C@H](NC[C@H]1CC[N@@H+]1C1CCCC1)c1ccc(Br)cc1F ZINC000530135684 564864956 /nfs/dbraw/zinc/86/49/56/564864956.db2.gz REXITFRPWZYIND-CZUORRHYSA-N 1 0 384.293 2.721 20 0 GFADRO Cc1ccc(Br)c(S(=O)(=O)NCC[N@H+]2CCCC[C@@H]2C)c1 ZINC000497536137 564870385 /nfs/dbraw/zinc/87/03/85/564870385.db2.gz PBBMXACVDYYGCE-ZDUSSCGKSA-N 1 0 375.332 2.910 20 0 GFADRO CC[N@@H+]1CCCC[C@H]1CNS(=O)(=O)c1cc(C)ccc1Br ZINC000497543124 564870926 /nfs/dbraw/zinc/87/09/26/564870926.db2.gz UYYWDMGXKYCCBR-ZDUSSCGKSA-N 1 0 375.332 2.910 20 0 GFADRO O=C(NCCc1nc2c(s1)CCCC2)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000557664752 564871611 /nfs/dbraw/zinc/87/16/11/564871611.db2.gz VCTDOFQUGBHLHZ-HNNXBMFYSA-N 1 0 379.595 2.898 20 0 GFADRO CN(CC[NH+]1CCCC1)C(=O)NCCC(=O)Nc1ccc(Br)cc1 ZINC000497588919 564872239 /nfs/dbraw/zinc/87/22/39/564872239.db2.gz MATHFAIOSDVJFN-UHFFFAOYSA-N 1 0 397.317 2.515 20 0 GFADRO CC(C)c1nn(-c2ccc(Br)cc2)cc1C[NH2+]C[C@H]1COCCN1 ZINC000530247604 564872717 /nfs/dbraw/zinc/87/27/17/564872717.db2.gz XFPSVKAOARROEM-INIZCTEOSA-N 1 0 393.329 2.836 20 0 GFADRO C[C@H]1C[C@H](N2CCOCC2)C[N@@H+]1Cc1nc2ccc(Br)cc2o1 ZINC000463216738 564872967 /nfs/dbraw/zinc/87/29/67/564872967.db2.gz XCOVQPZQYAGGEX-JSGCOSHPSA-N 1 0 380.286 2.885 20 0 GFADRO CC[NH+](CC)CC[C@@H](CO)NC(=O)Nc1ccc(Br)c(F)c1 ZINC000497700704 564873648 /nfs/dbraw/zinc/87/36/48/564873648.db2.gz DHVPFOAQXZROPR-LBPRGKRZSA-N 1 0 376.270 2.803 20 0 GFADRO CCC[N@@H+]1CCC[C@H]1CNC(=O)CCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000557746104 564875007 /nfs/dbraw/zinc/87/50/07/564875007.db2.gz PZIHICHLJQPTFV-INIZCTEOSA-N 1 0 386.945 2.885 20 0 GFADRO CC(C)N(CC[NH+](C)C)C(=O)NCc1cc(Br)cc2c1OCC2 ZINC000463264194 564874979 /nfs/dbraw/zinc/87/49/79/564874979.db2.gz XZRBKTMEILICPI-UHFFFAOYSA-N 1 0 384.318 2.866 20 0 GFADRO CC(C)[C@H]([NH2+]Cc1sccc1Cl)C(=O)N(C)Cc1nnc2n1CCC2 ZINC000530278792 564875201 /nfs/dbraw/zinc/87/52/01/564875201.db2.gz XWMJBZMXFDBNND-INIZCTEOSA-N 1 0 381.933 2.712 20 0 GFADRO CCC1(CC)CN(C(=O)C(=O)NC[C@@H](c2cccs2)[NH+](C)C)CCS1 ZINC000583097592 564875600 /nfs/dbraw/zinc/87/56/00/564875600.db2.gz PLWHDLMDZDAMIJ-AWEZNQCLSA-N 1 0 383.583 2.601 20 0 GFADRO CCCNC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(Br)cc1OCCCO ZINC000463370737 564877502 /nfs/dbraw/zinc/87/75/02/564877502.db2.gz XJTODIDWDPZNSU-OLZOCXBDSA-N 1 0 387.318 2.776 20 0 GFADRO C[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)N1CC[N@H+](C)CC[C@H]1C ZINC000583159930 564878087 /nfs/dbraw/zinc/87/80/87/564878087.db2.gz ICARURGKZQEJQP-CHWSQXEVSA-N 1 0 386.323 2.593 20 0 GFADRO OCC1(C[NH2+][C@@H](Cc2ccccn2)c2ccc(Br)cc2)COC1 ZINC000530394368 564879357 /nfs/dbraw/zinc/87/93/57/564879357.db2.gz ULFLEIXVONZEIN-KRWDZBQOSA-N 1 0 377.282 2.726 20 0 GFADRO C[C@@H]1CN(S(=O)(=O)c2cc(Br)cc3cccnc32)[C@H](C)CN1C ZINC000557841128 564880287 /nfs/dbraw/zinc/88/02/87/564880287.db2.gz JAAYHIHYSRBYHY-VXGBXAGGSA-N 1 0 398.326 2.710 20 0 GFADRO C[NH+](C)C[C@@H]1CCCN1S(=O)(=O)c1cc(Br)cc2cccnc21 ZINC000557841916 564880928 /nfs/dbraw/zinc/88/09/28/564880928.db2.gz BDUGFDKFGKERBK-AWEZNQCLSA-N 1 0 398.326 2.712 20 0 GFADRO CC(C)C[C@]1(CO)CCC[N@@H+]1Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000530447114 564882524 /nfs/dbraw/zinc/88/25/24/564882524.db2.gz GHSFDMKVLNZQRT-SFHVURJKSA-N 1 0 394.313 2.830 20 0 GFADRO C[C@H](C[NH+]1CCOCC1)C(=O)N1CC[C@@H](Cc2ccc(Br)cc2)C1 ZINC000498013236 564885166 /nfs/dbraw/zinc/88/51/66/564885166.db2.gz NIBMSMXHJIYSGX-WBVHZDCISA-N 1 0 395.341 2.808 20 0 GFADRO Cc1cc(Br)cc(C(=O)N2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)c1 ZINC000463597475 564885378 /nfs/dbraw/zinc/88/53/78/564885378.db2.gz MNWGFGFHIJZAKP-YJBOKZPZSA-N 1 0 394.357 2.856 20 0 GFADRO OC[C@@H]([NH2+]Cc1cccc(Br)c1OC(F)F)C1CCOCC1 ZINC000557932420 564886239 /nfs/dbraw/zinc/88/62/39/564886239.db2.gz CMZMKEUPQMAYBU-CYBMUJFWSA-N 1 0 380.229 2.928 20 0 GFADRO OCCC1CC[NH+](Cc2ccc(Br)cc2N2CCOCC2)CC1 ZINC000530553323 564887606 /nfs/dbraw/zinc/88/76/06/564887606.db2.gz QKVKWNKQTRVSOQ-UHFFFAOYSA-N 1 0 383.330 2.880 20 0 GFADRO O=C(NCc1ccccc1Br)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000530574221 564888379 /nfs/dbraw/zinc/88/83/79/564888379.db2.gz NYSAVEFSQDNVNE-IBGZPJMESA-N 1 0 389.293 2.702 20 0 GFADRO Cc1cc(NC(=O)C[N@H+]2CC[C@H](Cc3cnn(C)c3)C2)ccc1Br ZINC000530627279 564889393 /nfs/dbraw/zinc/88/93/93/564889393.db2.gz NVPKVEDDILZTGK-CQSZACIVSA-N 1 0 391.313 2.994 20 0 GFADRO [NH3+][C@H](CC(F)F)C(=O)NC1(c2ccc(Br)cc2)CCOCC1 ZINC000498198361 564891319 /nfs/dbraw/zinc/89/13/19/564891319.db2.gz OBBBGKIISREMOS-GFCCVEGCSA-N 1 0 377.229 2.554 20 0 GFADRO CCN(CC)C(=O)COc1ccc(NC(=O)[C@@H]([NH3+])CC(F)F)cc1Cl ZINC000498205885 564891623 /nfs/dbraw/zinc/89/16/23/564891623.db2.gz XOUCTYWCSXAUQF-LBPRGKRZSA-N 1 0 377.819 2.508 20 0 GFADRO Cc1cc(Br)c(S(=O)(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)s1 ZINC000583564328 564897478 /nfs/dbraw/zinc/89/74/78/564897478.db2.gz KYOHXUHTHCJQCC-GFCCVEGCSA-N 1 0 393.372 2.829 20 0 GFADRO CCN(CC)S(=O)(=O)c1ccc(C[NH2+][C@H](C)CC(=O)OC(C)(C)C)s1 ZINC000498404977 564897707 /nfs/dbraw/zinc/89/77/07/564897707.db2.gz WWCSLPMCYHQMDJ-CYBMUJFWSA-N 1 0 390.571 2.989 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)c1nc2ccc(Br)cn2n1)c1cccs1 ZINC000558335049 564898245 /nfs/dbraw/zinc/89/82/45/564898245.db2.gz CTWBJNPETUYWBH-LLVKDONJSA-N 1 0 394.298 2.586 20 0 GFADRO CC[N@@H+]1C[C@@H](C)N(C(=O)c2ccc(F)cc2I)C[C@@H]1C ZINC000498555561 564901602 /nfs/dbraw/zinc/90/16/02/564901602.db2.gz ASXQUXAUBXFJAE-WDEREUQCSA-N 1 0 390.240 2.985 20 0 GFADRO C[NH+]1CCC(CNC(=O)C(=O)Nc2cc(Cl)ccc2C(F)(F)F)CC1 ZINC000498564138 564901622 /nfs/dbraw/zinc/90/16/22/564901622.db2.gz OKOZYXIJBCKJIT-UHFFFAOYSA-N 1 0 377.794 2.755 20 0 GFADRO C[C@@H]1C[N@H+](C)CCN1c1ccc(Br)cc1NC(=O)c1cncnc1 ZINC000583677389 564902567 /nfs/dbraw/zinc/90/25/67/564902567.db2.gz AVMXWIYNVHGPPH-GFCCVEGCSA-N 1 0 390.285 2.632 20 0 GFADRO CC[N@@H+]1C[C@H](C)N(C(=O)c2cc(I)ccc2F)C[C@H]1C ZINC000498567025 564902705 /nfs/dbraw/zinc/90/27/05/564902705.db2.gz LAXWGOFFXRHPBG-MNOVXSKESA-N 1 0 390.240 2.985 20 0 GFADRO O=C1CCCCN1CCC[NH2+]C[C@H](O)COc1ccc(Cl)cc1Cl ZINC000583688456 564903548 /nfs/dbraw/zinc/90/35/48/564903548.db2.gz JZZCNEUAVYLNLT-AWEZNQCLSA-N 1 0 375.296 2.725 20 0 GFADRO C[C@H]1CC[N@H+](C)CCN1C(=O)CSc1nncn1-c1cccc(Cl)c1 ZINC000498706833 564905938 /nfs/dbraw/zinc/90/59/38/564905938.db2.gz LVNOPGHTWVKXQG-ZDUSSCGKSA-N 1 0 379.917 2.565 20 0 GFADRO C[C@@H]1CC[N@H+](C)CCN1C(=O)c1ccc(I)c(F)c1 ZINC000498709510 564906357 /nfs/dbraw/zinc/90/63/57/564906357.db2.gz JXFYWLLGVNSQDB-SNVBAGLBSA-N 1 0 376.213 2.597 20 0 GFADRO CCCC(=O)N1CSC[C@H]1C(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000531306230 564906744 /nfs/dbraw/zinc/90/67/44/564906744.db2.gz KVYMDOLGCPDGIF-HOTGVXAUSA-N 1 0 383.945 2.761 20 0 GFADRO O=S(=O)(c1cccs1)N1CC[C@@H](C[NH2+]CC2Cc3ccccc3C2)C1 ZINC000558569286 564906978 /nfs/dbraw/zinc/90/69/78/564906978.db2.gz FLHZCIMXGLLLSD-HNNXBMFYSA-N 1 0 376.547 2.763 20 0 GFADRO CCn1c(SCC(=O)N2CC[N@H+](C)CC[C@H]2C)nnc1-c1cccs1 ZINC000498737202 564907444 /nfs/dbraw/zinc/90/74/44/564907444.db2.gz MQYQXPCJDLUWFA-CYBMUJFWSA-N 1 0 379.555 2.671 20 0 GFADRO CC[C@@H]([NH2+]CCNC(=O)c1cccc(Br)c1)C1(C(=O)OC)CCC1 ZINC000498767017 564908322 /nfs/dbraw/zinc/90/83/22/564908322.db2.gz HFXPJQPOSSDJPB-OAHLLOKOSA-N 1 0 397.313 2.890 20 0 GFADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCc2cc(Br)ccc21 ZINC000583813803 564908919 /nfs/dbraw/zinc/90/89/19/564908919.db2.gz HNBSVTRUHBDKIA-WBVHZDCISA-N 1 0 381.314 2.706 20 0 GFADRO CC[NH+]1CCN([C@H](C)CNC(=O)[C@H](C)c2cccc(Br)c2)CC1 ZINC000464551915 564910129 /nfs/dbraw/zinc/91/01/29/564910129.db2.gz CYLOZUXDMLXUTD-HUUCEWRRSA-N 1 0 382.346 2.695 20 0 GFADRO CC[NH+]1CCC(N(C)C(=O)c2cc(Br)cc(C(=O)OC)c2)CC1 ZINC000464555752 564910371 /nfs/dbraw/zinc/91/03/71/564910371.db2.gz PRISHDKWRRLYPK-UHFFFAOYSA-N 1 0 383.286 2.792 20 0 GFADRO COC(=O)C[C@]1([NH2+]Cc2cc(Br)cc3cccnc32)CCOC1 ZINC000464589907 564911870 /nfs/dbraw/zinc/91/18/70/564911870.db2.gz ACHVYENBRYFHIM-QGZVFWFLSA-N 1 0 379.254 2.809 20 0 GFADRO CCC[N@H+](CC)C[C@H](C)NC(=O)C(=O)Nc1cc(Br)ccc1F ZINC000583903508 564911924 /nfs/dbraw/zinc/91/19/24/564911924.db2.gz YLAZGCNIYSTCNS-NSHDSACASA-N 1 0 388.281 2.763 20 0 GFADRO O=C(NCC[C@H]1CCC[NH2+]C1)N[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000583921119 564912933 /nfs/dbraw/zinc/91/29/33/564912933.db2.gz SHBCSFJWLKKUFK-GDBMZVCRSA-N 1 0 395.345 2.717 20 0 GFADRO O=C(NCC[C@@H]1CCC[NH2+]C1)N[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000583921120 564912941 /nfs/dbraw/zinc/91/29/41/564912941.db2.gz SHBCSFJWLKKUFK-GOEBONIOSA-N 1 0 395.345 2.717 20 0 GFADRO CC[NH+](CC)[C@@H](CNS(=O)(=O)c1ccc(C(=O)OC)s1)CC(C)C ZINC000531583600 564914200 /nfs/dbraw/zinc/91/42/00/564914200.db2.gz DWDWJQMUBSCSLU-CYBMUJFWSA-N 1 0 376.544 2.570 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)C(=O)Nc2cc(Cl)ccc2C(F)(F)F)CC[N@@H+]1C ZINC000499034761 564916017 /nfs/dbraw/zinc/91/60/17/564916017.db2.gz AABVYPBNYKWIQW-MWLCHTKSSA-N 1 0 377.794 2.896 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)C[NH+]1C[C@@H](C)[C@H](C)C1 ZINC000464831383 564919356 /nfs/dbraw/zinc/91/93/56/564919356.db2.gz AKCYCSICPPXFIC-ZIAGYGMSSA-N 1 0 396.329 2.742 20 0 GFADRO C[NH+]1CCC(CCO)(NC(=O)[C@@H]2C[C@@H]2c2cccc(Br)c2)CC1 ZINC000499127860 564919538 /nfs/dbraw/zinc/91/95/38/564919538.db2.gz SDSOZCHSTNUYCY-HZPDHXFCSA-N 1 0 381.314 2.516 20 0 GFADRO CC1CC[NH+]([C@H](CNS(=O)(=O)CC[C@@H]2CCOC2)c2cccs2)CC1 ZINC000559024589 564920206 /nfs/dbraw/zinc/92/02/06/564920206.db2.gz NQELHUDOQHOEKL-DLBZAZTESA-N 1 0 386.583 2.867 20 0 GFADRO C[NH+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000464928106 564920372 /nfs/dbraw/zinc/92/03/72/564920372.db2.gz WIVRDYVPMXITKM-UONOGXRCSA-N 1 0 384.307 2.899 20 0 GFADRO O=C(CNC(=O)Nc1cccc(Br)c1)NCC[NH+]1CCCCCC1 ZINC000584150032 564922600 /nfs/dbraw/zinc/92/26/00/564922600.db2.gz KGIVRSIFDNVJIK-UHFFFAOYSA-N 1 0 397.317 2.563 20 0 GFADRO O=C(NCC[NH2+][C@@H]1CCSc2ccc(Br)cc21)c1cnccn1 ZINC000531961304 564924745 /nfs/dbraw/zinc/92/47/45/564924745.db2.gz QICLKKANRGHDQT-CYBMUJFWSA-N 1 0 393.310 2.796 20 0 GFADRO C[C@@H]1C[C@@H](NCc2cn(-c3ccccc3Br)nn2)C[N@@H+]1C1CC1 ZINC000499688134 564933690 /nfs/dbraw/zinc/93/36/90/564933690.db2.gz UFSYIQBPWUYWQF-CHWSQXEVSA-N 1 0 376.302 2.745 20 0 GFADRO O[C@H](CN1CCOCC1)C[N@@H+]1CCCC[C@H]1Cc1ccccc1Br ZINC000559479855 564933862 /nfs/dbraw/zinc/93/38/62/564933862.db2.gz UVABZQNAFVPSIC-ZWKOTPCHSA-N 1 0 397.357 2.539 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)C(=O)NC[C@H](C)[NH+]1CCCC1 ZINC000532439250 564938031 /nfs/dbraw/zinc/93/80/31/564938031.db2.gz KDIITNPOMCLLKV-LBPRGKRZSA-N 1 0 382.302 2.551 20 0 GFADRO COc1ccc(C(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)cc1Br ZINC000499898936 564939763 /nfs/dbraw/zinc/93/97/63/564939763.db2.gz OTMVFTHXBPFJGQ-AWEZNQCLSA-N 1 0 385.302 2.641 20 0 GFADRO C[NH+](C)CC1(NC(=O)c2ccc(F)c(I)c2)CCC1 ZINC000466565584 564943516 /nfs/dbraw/zinc/94/35/16/564943516.db2.gz KCQFGHMFDNEFLU-UHFFFAOYSA-N 1 0 376.213 2.644 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)NC[C@@H](C)[NH+]2CCCC2)c(Br)c1 ZINC000532713751 564943604 /nfs/dbraw/zinc/94/36/04/564943604.db2.gz AVJNALKCULVDPO-CYBMUJFWSA-N 1 0 382.302 2.605 20 0 GFADRO COCCN(CC[NH+](C)C)C(=O)NCc1cc(Cl)ccc1OC(F)F ZINC000466751899 564947247 /nfs/dbraw/zinc/94/72/47/564947247.db2.gz FLPSMJBFRCDEFT-UHFFFAOYSA-N 1 0 379.835 2.661 20 0 GFADRO CC[NH+](CC)CCOC1CCN(S(=O)(=O)c2ccc(Cl)cc2F)CC1 ZINC000466892830 564949300 /nfs/dbraw/zinc/94/93/00/564949300.db2.gz WLTLNJFCFDPDMM-UHFFFAOYSA-N 1 0 392.924 2.991 20 0 GFADRO Cc1nc(S(=O)(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)sc1C ZINC000532932538 564950205 /nfs/dbraw/zinc/95/02/05/564950205.db2.gz XGGARCILZXMKIA-QGZVFWFLSA-N 1 0 379.551 2.603 20 0 GFADRO O=C(N[C@H]1CC[N@@H+](C2CC2)C1)N1CCN(c2cccc(Br)c2)CC1 ZINC000560115873 564950863 /nfs/dbraw/zinc/95/08/63/564950863.db2.gz CTNOMYKWUCVEDQ-HNNXBMFYSA-N 1 0 393.329 2.517 20 0 GFADRO CCc1nc(C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)nn1-c1c(Cl)cccc1Cl ZINC000560146380 564951654 /nfs/dbraw/zinc/95/16/54/564951654.db2.gz UIVOOBKHWRTVJG-MFKMUULPSA-N 1 0 380.279 2.570 20 0 GFADRO Cc1cccc(C(=O)N[C@H]2C[N@H+](C3CC3)C[C@H]2C)c1I ZINC000467022625 564953309 /nfs/dbraw/zinc/95/33/09/564953309.db2.gz JFESPYDWWAWLNO-RISCZKNCSA-N 1 0 384.261 2.812 20 0 GFADRO Cc1cc(C[NH2+][C@@H]2CCC[C@@H]2CNS(C)(=O)=O)ccc1Br ZINC000500492842 564954996 /nfs/dbraw/zinc/95/49/96/564954996.db2.gz BWKCHVINWZYKDD-UKRRQHHQSA-N 1 0 375.332 2.565 20 0 GFADRO C[N@@H+]1CCC[C@@H](CNC(=O)Nc2ccn(-c3ccc(Br)cc3)n2)C1 ZINC000560443650 564961633 /nfs/dbraw/zinc/96/16/33/564961633.db2.gz UQQUMBFNGGCNEH-ZDUSSCGKSA-N 1 0 392.301 3.098 20 0 GFADRO CCS(=O)(=O)c1cccc(C[NH2+][C@H](C)Cn2cc(Br)cn2)c1 ZINC000467416626 564962675 /nfs/dbraw/zinc/96/26/75/564962675.db2.gz CCIOQZLSSYXRAH-GFCCVEGCSA-N 1 0 386.315 2.618 20 0 GFADRO C[NH+]1CCC(O)(CNC(=O)C2(c3ccc(Br)cc3)CCCC2)CC1 ZINC000467481005 564964325 /nfs/dbraw/zinc/96/43/25/564964325.db2.gz MNCPOYLHVMPXHO-UHFFFAOYSA-N 1 0 395.341 2.834 20 0 GFADRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)NCCNc3ncc(Cl)cc3Cl)C2)C1 ZINC000560500766 564965617 /nfs/dbraw/zinc/96/56/17/564965617.db2.gz FKTWGQOUSQGWRZ-QGZVFWFLSA-N 1 0 386.327 2.928 20 0 GFADRO O=S(=O)(NCC[NH2+][C@@H]1CCC12CCOCC2)c1cccc(Cl)c1Cl ZINC000560576049 564968324 /nfs/dbraw/zinc/96/83/24/564968324.db2.gz ZWYBOXDIZKVLLQ-CQSZACIVSA-N 1 0 393.336 2.821 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)c2cc(Br)cnc2OCC2CC2)C[N@@H+]1C1CC1 ZINC000560576617 564968508 /nfs/dbraw/zinc/96/85/08/564968508.db2.gz QCQMEADFCNZRIN-RISCZKNCSA-N 1 0 394.313 2.988 20 0 GFADRO C[C@H]1CCC[C@@H](CO)[N@@H+]1CC(=O)N(C)CCOc1ccc(Br)cc1 ZINC000501039792 564968608 /nfs/dbraw/zinc/96/86/08/564968608.db2.gz NSLUQYFUKDMKQU-HOCLYGCPSA-N 1 0 399.329 2.522 20 0 GFADRO CC(C)C[C@H](N[C@H](C)c1nc(C(F)(F)F)cs1)C(=O)NCC[NH+](C)C ZINC000467746548 564970909 /nfs/dbraw/zinc/97/09/09/564970909.db2.gz JMSCAWYVHDXBMM-NEPJUHHUSA-N 1 0 380.480 2.905 20 0 GFADRO C[NH+](C)CCn1cc(NC(=O)CCc2cccc(Br)c2)ccc1=O ZINC000533779652 564972263 /nfs/dbraw/zinc/97/22/63/564972263.db2.gz ZGQQZVYXKWYHIV-UHFFFAOYSA-N 1 0 392.297 2.744 20 0 GFADRO COCCN(CC[NH+](C)C)C(=O)c1cc(Br)cc2cccnc21 ZINC000533941401 564976550 /nfs/dbraw/zinc/97/65/50/564976550.db2.gz KQRZKJGKXJLJAB-UHFFFAOYSA-N 1 0 380.286 2.648 20 0 GFADRO CC[NH+]1CCN([C@H](C)CNC(=O)c2ccc(Br)c(C)c2F)CC1 ZINC000468247677 564980423 /nfs/dbraw/zinc/98/04/23/564980423.db2.gz TXVABOASDHJWOY-GFCCVEGCSA-N 1 0 386.309 2.652 20 0 GFADRO CS[C@H]1CN(CC(=O)Nc2ccc(Br)cc2F)C[C@@H]1[NH+](C)C ZINC000534216305 564982509 /nfs/dbraw/zinc/98/25/09/564982509.db2.gz MTJVMBZHLBXLID-KBPBESRZSA-N 1 0 390.322 2.504 20 0 GFADRO C[NH+](C)CCOc1cc(CNC(=O)c2ccc(F)c(Br)c2)ccn1 ZINC000534224949 564982611 /nfs/dbraw/zinc/98/26/11/564982611.db2.gz JRBJILXOGFDCTO-UHFFFAOYSA-N 1 0 396.260 2.854 20 0 GFADRO C[NH+](C)CCCC1CCN(C(=O)CS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000501634285 564983208 /nfs/dbraw/zinc/98/32/08/564983208.db2.gz YOAVFGNOPVEVBJ-UHFFFAOYSA-N 1 0 386.945 2.694 20 0 GFADRO Cc1cccc(CNC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)c1Br ZINC000468415669 564983732 /nfs/dbraw/zinc/98/37/32/564983732.db2.gz ARQLEBBUSARVCU-INIZCTEOSA-N 1 0 398.345 2.914 20 0 GFADRO O=C1C[C@H]([C@H]2CCCC[N@H+]2C[C@@H](O)COc2cc(Cl)ccc2Cl)CN1 ZINC000534279351 564984247 /nfs/dbraw/zinc/98/42/47/564984247.db2.gz ZUPPMUNVHOOQRK-JGGQBBKZSA-N 1 0 387.307 2.724 20 0 GFADRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+]Cc1nc(-c2cccc(Br)c2)c[nH]1 ZINC000534286435 564984627 /nfs/dbraw/zinc/98/46/27/564984627.db2.gz DGQWLBRLQMRHGC-ZIAGYGMSSA-N 1 0 377.286 2.844 20 0 GFADRO C[NH+]1CCC(CCNS(=O)(=O)c2c(F)cccc2OC(F)(F)F)CC1 ZINC000561505890 564996874 /nfs/dbraw/zinc/99/68/74/564996874.db2.gz PCFVNYPXDUMUOR-UHFFFAOYSA-N 1 0 384.395 2.735 20 0 GFADRO C[C@H]1C[C@H](NS(=O)(=O)c2cc(Br)cc3cccnc32)CC[N@@H+]1C ZINC000561519294 564998534 /nfs/dbraw/zinc/99/85/34/564998534.db2.gz QGEIXSOGRORMMJ-SMDDNHRTSA-N 1 0 398.326 2.758 20 0 GFADRO CN(CC1([NH+](C)C)CCC1)S(=O)(=O)Cc1cccc(Br)c1 ZINC000561535339 564999347 /nfs/dbraw/zinc/99/93/47/564999347.db2.gz GQYQFDWEOALPAA-UHFFFAOYSA-N 1 0 375.332 2.695 20 0 GFADRO COc1cc(Cl)c(S(=O)(=O)N2CC[C@H]([NH+]3CCCC3)[C@H]2C)cc1OC ZINC000561552383 565001272 /nfs/dbraw/zinc/00/12/72/565001272.db2.gz OGIDRSKGWZKGET-OCCSQVGLSA-N 1 0 388.917 2.605 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)CNC(=O)c1c(F)cccc1Cl)c1ccsc1 ZINC000502699238 565003613 /nfs/dbraw/zinc/00/36/13/565003613.db2.gz JTOUTUCHEBJNJM-AWEZNQCLSA-N 1 0 383.876 2.690 20 0 GFADRO CC(C)[N@@H+]1CCCN(C(=O)[C@H]2CC(=O)Nc3ccc(Br)cc32)CC1 ZINC000469062456 565004198 /nfs/dbraw/zinc/00/41/98/565004198.db2.gz RTXAGLDFMYVNQU-HNNXBMFYSA-N 1 0 394.313 2.818 20 0 GFADRO CC(C)(CNC(=O)NCCNc1cc[nH+]cc1)c1cccc(Br)c1 ZINC000535261856 565008508 /nfs/dbraw/zinc/00/85/08/565008508.db2.gz PSGFOALVRWAGEF-UHFFFAOYSA-N 1 0 391.313 2.955 20 0 GFADRO C[C@@H](CC[NH+](C)C)NC(=O)N[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000502946259 565009213 /nfs/dbraw/zinc/00/92/13/565009213.db2.gz LBGHCJVPCBDYTO-ZFWWWQNUSA-N 1 0 383.334 2.667 20 0 GFADRO CCC[NH+](CCC)CCCNC(=O)c1cc(Br)c(C)n(C)c1=O ZINC000469198536 565009273 /nfs/dbraw/zinc/00/92/73/565009273.db2.gz SGEOAOQZQCSQIQ-UHFFFAOYSA-N 1 0 386.334 2.698 20 0 GFADRO C[NH+](C)[C@@]1(CNC(=O)Cc2c(F)ccc(Br)c2F)CCSC1 ZINC000503000589 565010342 /nfs/dbraw/zinc/01/03/42/565010342.db2.gz SANBTAWXIDCZIG-OAHLLOKOSA-N 1 0 393.297 2.823 20 0 GFADRO CC[NH+](CC)CC(=O)N[C@H]1CCCN(c2ccc(Br)c(C)c2)C1=O ZINC000503057438 565010921 /nfs/dbraw/zinc/01/09/21/565010921.db2.gz CEDRZOVGVHJKMR-INIZCTEOSA-N 1 0 396.329 2.711 20 0 GFADRO COCCN(CC[NH+](C)C)C(=O)CCc1cc(Br)ccc1F ZINC000535390380 565012315 /nfs/dbraw/zinc/01/23/15/565012315.db2.gz DYFWCGLGGVSMSG-UHFFFAOYSA-N 1 0 375.282 2.557 20 0 GFADRO C[N@H+](CCNC(=O)C1(c2ccc(I)cc2)CC1)C1CC1 ZINC000503180512 565013059 /nfs/dbraw/zinc/01/30/59/565013059.db2.gz ORUPHOXKINXMJZ-UHFFFAOYSA-N 1 0 384.261 2.533 20 0 GFADRO NC(=O)[C@H]1CCCN1CCC[NH2+][C@@H]1CCc2c1c(Br)ccc2F ZINC000535508919 565014741 /nfs/dbraw/zinc/01/47/41/565014741.db2.gz XONVGBXVXVWFKR-HUUCEWRRSA-N 1 0 384.293 2.505 20 0 GFADRO CN(C)c1cc(Cl)cc(Cl)c1C[NH2+]C[C@H]1CCC[C@@H]1NS(C)(=O)=O ZINC000562071765 565016794 /nfs/dbraw/zinc/01/67/94/565016794.db2.gz QLKSGJMHYKAMNR-ABAIWWIYSA-N 1 0 394.368 2.867 20 0 GFADRO CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CC(=O)Nc2ccc(Br)cc21 ZINC000469412521 565017431 /nfs/dbraw/zinc/01/74/31/565017431.db2.gz TZIWCVSEGTZXBZ-ZFWWWQNUSA-N 1 0 394.313 2.866 20 0 GFADRO CC[N@H+](CCOCCO)CC(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000503405633 565018361 /nfs/dbraw/zinc/01/83/61/565018361.db2.gz KACURZHNKODYHJ-KRWDZBQOSA-N 1 0 389.323 2.988 20 0 GFADRO CCN(CCO)CC[NH2+]Cc1ccc(Br)c(Br)c1 ZINC000469559922 565020828 /nfs/dbraw/zinc/02/08/28/565020828.db2.gz FGDXIYGHBKPMAE-UHFFFAOYSA-N 1 0 380.124 2.615 20 0 GFADRO O=S(=O)(CC[NH2+][C@@H]1CCC[C@H]1OC(F)F)c1ccc(Br)cc1 ZINC000503527580 565022506 /nfs/dbraw/zinc/02/25/06/565022506.db2.gz ZPGDAJBJGSEAGE-CHWSQXEVSA-N 1 0 398.269 2.973 20 0 GFADRO CC[N@H+](CCO)CCNC(=O)Nc1ccc(C(F)(F)F)cc1Br ZINC000469683222 565023973 /nfs/dbraw/zinc/02/39/73/565023973.db2.gz DLDPHAIBBAULSU-UHFFFAOYSA-N 1 0 398.223 2.904 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)COc1ccc(Br)cc1C(C)=O ZINC000503673780 565025683 /nfs/dbraw/zinc/02/56/83/565025683.db2.gz BOFNMQSXXXJPHI-CQSZACIVSA-N 1 0 383.286 2.631 20 0 GFADRO Cc1[nH]c(=O)c(Br)cc1C(=O)NCc1ccccc1C[NH+](C)C ZINC000503697275 565026291 /nfs/dbraw/zinc/02/62/91/565026291.db2.gz DCKREHNHGAGKKC-UHFFFAOYSA-N 1 0 378.270 2.850 20 0 GFADRO COC(=O)C[C@H](NC(=O)C[N@H+](C)[C@H]1CCSC1)c1ccc(SC)cc1 ZINC000536075699 565029099 /nfs/dbraw/zinc/02/90/99/565029099.db2.gz XLCPVJNXQXZARC-HOCLYGCPSA-N 1 0 382.551 2.566 20 0 GFADRO CO[C@H]1CCN(Cc2cn(-c3ccc(Br)cc3)nc2C)[C@H](C[NH3+])C1 ZINC000469885725 565030941 /nfs/dbraw/zinc/03/09/41/565030941.db2.gz UXWRZNOSKAUEEG-ROUUACIJSA-N 1 0 393.329 2.881 20 0 GFADRO CCC[NH+]1CCC(NC(=O)[C@H](C)NC(=O)c2ccc(Br)cc2)CC1 ZINC000503983204 565032556 /nfs/dbraw/zinc/03/25/56/565032556.db2.gz ADMUQSLTHPJROU-ZDUSSCGKSA-N 1 0 396.329 2.558 20 0 GFADRO CS(=O)(=O)c1cc(NC(=O)NC2CC[NH+](C3CCC3)CC2)ccc1Cl ZINC000562603071 565035085 /nfs/dbraw/zinc/03/50/85/565035085.db2.gz ZWGIHLUPBWQZCD-UHFFFAOYSA-N 1 0 385.917 2.882 20 0 GFADRO CS[C@@H]1CN(Cc2nc(-c3cccc(Br)c3)no2)C[C@H]1[NH+](C)C ZINC000536471721 565038598 /nfs/dbraw/zinc/03/85/98/565038598.db2.gz KUNVAEMSTKETCR-ZIAGYGMSSA-N 1 0 397.342 2.977 20 0 GFADRO O=S1(=O)CC[C@H]([NH2+][C@H]2CCC[C@H](CO)C2)c2cc(Br)ccc21 ZINC000562736017 565040511 /nfs/dbraw/zinc/04/05/11/565040511.db2.gz ICQIXBWNVCXCNJ-WHOFXGATSA-N 1 0 388.327 2.808 20 0 GFADRO Cc1c(Br)ccnc1NC(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000562792009 565043000 /nfs/dbraw/zinc/04/30/00/565043000.db2.gz UIBDDFHEBVGEFM-UHFFFAOYSA-N 1 0 397.317 2.919 20 0 GFADRO C[C@]1(CNC(=O)N[C@@H]2CCOc3c(Br)cccc32)CCC[NH2+]C1 ZINC000562810725 565043722 /nfs/dbraw/zinc/04/37/22/565043722.db2.gz WWGKWJARQPPKGG-PBHICJAKSA-N 1 0 382.302 2.962 20 0 GFADRO C[C@H](NC(=O)N[C@H](CO)c1ccc(Br)cc1)C(C)(C)C[NH+](C)C ZINC000504835751 565045268 /nfs/dbraw/zinc/04/52/68/565045268.db2.gz UBNXAYIZOHZXEJ-SWLSCSKDSA-N 1 0 386.334 2.758 20 0 GFADRO CS[C@@H]1CN(C(=O)CSCC(=O)c2ccc(Cl)cc2)C[C@H]1[NH+](C)C ZINC000536813215 565047696 /nfs/dbraw/zinc/04/76/96/565047696.db2.gz BDTMTFPXWBTRBN-GDBMZVCRSA-N 1 0 386.970 2.760 20 0 GFADRO O=S1(=O)CCCN1CC[NH+]1CCC(c2ccc(C(F)(F)F)cc2)CC1 ZINC000536885526 565048245 /nfs/dbraw/zinc/04/82/45/565048245.db2.gz LPUNHQBZGHALJV-UHFFFAOYSA-N 1 0 376.444 2.920 20 0 GFADRO CN(CCC[NH+](C)C)C(=O)C(=O)Nc1cc(F)c(Br)cc1Cl ZINC000562934051 565048714 /nfs/dbraw/zinc/04/87/14/565048714.db2.gz PDTOKEZKBAFOFJ-UHFFFAOYSA-N 1 0 394.672 2.590 20 0 GFADRO CO[C@@H]1CCN(C(=O)CCc2cc(Cl)ccc2Br)[C@@H](C[NH3+])C1 ZINC000562972145 565049953 /nfs/dbraw/zinc/04/99/53/565049953.db2.gz GHUCJYOIHXIGFC-ZIAGYGMSSA-N 1 0 389.721 3.000 20 0 GFADRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NCc1nnc(-c2ccc(Br)cc2)[nH]1 ZINC000536908622 565050109 /nfs/dbraw/zinc/05/01/09/565050109.db2.gz GRSZBCIENMQWRD-XHDPSFHLSA-N 1 0 376.302 2.807 20 0 GFADRO O=C(C[C@@H]1COCC[NH2+]1)N1CCCC[C@H]1Cc1cccc(Br)c1 ZINC000562980756 565050350 /nfs/dbraw/zinc/05/03/50/565050350.db2.gz KCLVDPFQSQQTKJ-SJORKVTESA-N 1 0 381.314 2.751 20 0 GFADRO CC(C)OCC[C@@H](O)C[NH2+]CCc1ccc(I)s1 ZINC000562985651 565050766 /nfs/dbraw/zinc/05/07/66/565050766.db2.gz CDRUKZKKILKPJI-LLVKDONJSA-N 1 0 383.295 2.661 20 0 GFADRO COc1ccc(Cl)cc1[C@@H](CC(C)C)[NH2+]CC1(O)CCS(=O)(=O)CC1 ZINC000537114486 565053132 /nfs/dbraw/zinc/05/31/32/565053132.db2.gz SXIFPVWPGQIBGD-MRXNPFEDSA-N 1 0 389.945 2.965 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000563107176 565055930 /nfs/dbraw/zinc/05/59/30/565055930.db2.gz ACYQXDMCIRQPGW-MEDUHNTESA-N 1 0 377.286 2.671 20 0 GFADRO OCC1(CC[NH2+]C[C@@H](O)COc2ccc(Cl)cc2Br)CC1 ZINC000563138656 565056844 /nfs/dbraw/zinc/05/68/44/565056844.db2.gz SMWZOMXHNTVSIQ-GFCCVEGCSA-N 1 0 378.694 2.594 20 0 GFADRO OC[C@H](Cc1ccc(O)cc1)[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Cl ZINC000563142043 565057393 /nfs/dbraw/zinc/05/73/93/565057393.db2.gz KHZOSXCANIUFIT-GOEBONIOSA-N 1 0 386.275 2.632 20 0 GFADRO CC(C)[N@H+](C)C[C@@H](C)NC(=O)C(=O)Nc1cc(Br)c(F)cc1F ZINC000584322206 565076352 /nfs/dbraw/zinc/07/63/52/565076352.db2.gz GXLKJRDFOGDSMW-SECBINFHSA-N 1 0 392.244 2.511 20 0 GFADRO CCn1c(SCC(=O)N[C@@H]2CCC[C@H]2[NH+](C)C)nnc1-c1cccs1 ZINC000613659209 565076938 /nfs/dbraw/zinc/07/69/38/565076938.db2.gz IPUIAMUXMURGMC-CHWSQXEVSA-N 1 0 379.555 2.718 20 0 GFADRO C[N@@H+]1CC[C@H](CC(=O)NCc2cnn(-c3ccc(Br)cc3)c2)C1 ZINC000635863858 565078588 /nfs/dbraw/zinc/07/85/88/565078588.db2.gz WBSCOWGXXWNUJW-CYBMUJFWSA-N 1 0 377.286 2.593 20 0 GFADRO C[C@@H]([NH2+]C[C@@H](C)c1ccncc1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000684676833 565079267 /nfs/dbraw/zinc/07/92/67/565079267.db2.gz HQVQFCFKZBCJJG-VXGBXAGGSA-N 1 0 398.326 2.946 20 0 GFADRO CC[N@H+](CCNC(=O)C(=O)N[C@H](C)Cc1ccc(Cl)cc1Cl)C1CC1 ZINC000584417114 565080380 /nfs/dbraw/zinc/08/03/80/565080380.db2.gz MRSPXMCNJJYVJD-GFCCVEGCSA-N 1 0 386.323 2.641 20 0 GFADRO CC(=O)NCCN(Cc1ccc(Cl)cc1Cl)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000635897899 565080672 /nfs/dbraw/zinc/08/06/72/565080672.db2.gz HILRCCZEFHJHHY-CQSZACIVSA-N 1 0 386.323 2.800 20 0 GFADRO CC(=O)N1CCC[C@@H](C[NH2+]C[C@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000584465677 565081800 /nfs/dbraw/zinc/08/18/00/565081800.db2.gz VTIYEAOAFHBTPN-ZFWWWQNUSA-N 1 0 375.296 2.581 20 0 GFADRO C[N@@H+]1CCC[C@@H](N2CCN(Cc3c(F)ccc(Br)c3F)CC2)C1 ZINC000684770100 565082246 /nfs/dbraw/zinc/08/22/46/565082246.db2.gz IVNWDZKKSIEOJH-CYBMUJFWSA-N 1 0 388.300 2.939 20 0 GFADRO COc1ccc(CN2CCN(c3nc(C)ns3)CC2)c(Br)c1 ZINC000584556808 565088105 /nfs/dbraw/zinc/08/81/05/565088105.db2.gz VYIGVNNZPUOBQV-UHFFFAOYSA-N 1 0 383.315 2.940 20 0 GFADRO O=C(NC[C@H]1CCCC[N@@H+]1C1CC1)c1cc(Br)cc2[nH]c(=O)[nH]c21 ZINC000614028555 565091130 /nfs/dbraw/zinc/09/11/30/565091130.db2.gz NDZCJASTILOPND-GFCCVEGCSA-N 1 0 393.285 2.778 20 0 GFADRO O[C@H](COc1cc(Cl)ccc1Cl)CN1CCN(CC(F)(F)F)CC1 ZINC000685013779 565094294 /nfs/dbraw/zinc/09/42/94/565094294.db2.gz FDFWHVBASHUQQR-LBPRGKRZSA-N 1 0 387.229 2.913 20 0 GFADRO C[NH+](C)C[C@]1(O)CCCN(C(=O)COc2c(Cl)cc(Cl)cc2Cl)C1 ZINC000614070218 565094585 /nfs/dbraw/zinc/09/45/85/565094585.db2.gz JDTJUHNFYXMWRP-MRXNPFEDSA-N 1 0 395.714 2.941 20 0 GFADRO CCc1nnc(SCC(=O)N2CCN(Cc3ccccc3C)CC2)s1 ZINC000657270030 565094630 /nfs/dbraw/zinc/09/46/30/565094630.db2.gz JUFORVCCOXPHTA-UHFFFAOYSA-N 1 0 376.551 2.845 20 0 GFADRO O=C(NCCC[NH2+]Cc1cnn2c1CCC2)c1ccc(Br)cc1 ZINC000657341902 565097869 /nfs/dbraw/zinc/09/78/69/565097869.db2.gz BKDWCDGETUIPQA-UHFFFAOYSA-N 1 0 377.286 2.502 20 0 GFADRO CC1(C)CCC[N@@H+]1CCNC(=O)c1cccnc1-n1cc(Br)cn1 ZINC000584823781 565100645 /nfs/dbraw/zinc/10/06/45/565100645.db2.gz ZWBJMBNNBMTMFV-UHFFFAOYSA-N 1 0 392.301 2.634 20 0 GFADRO O=S(=O)(Cc1cccc(Cl)c1)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000585226796 565103737 /nfs/dbraw/zinc/10/37/37/565103737.db2.gz PLCFJXGHFIQVGO-UHFFFAOYSA-N 1 0 386.945 2.650 20 0 GFADRO O=C(CSCc1ccc(Cl)cc1Cl)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000585682869 565105446 /nfs/dbraw/zinc/10/54/46/565105446.db2.gz VGQCIPJPNMIABB-HNNXBMFYSA-N 1 0 388.364 2.733 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]CCC1CC(OC)C1 ZINC000657529199 565105726 /nfs/dbraw/zinc/10/57/26/565105726.db2.gz RRDUYTJWUKKFJO-FUJMWEONSA-N 1 0 399.329 2.867 20 0 GFADRO CC[NH+](CC)CC[C@H](CO)NC(=O)c1cc2cc(Br)sc2[nH]1 ZINC000614349387 565109859 /nfs/dbraw/zinc/10/98/59/565109859.db2.gz STNVCJDCCBZALI-LLVKDONJSA-N 1 0 388.331 2.815 20 0 GFADRO Ic1cccc(CN2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC000585765269 565110553 /nfs/dbraw/zinc/11/05/53/565110553.db2.gz NPGDOAHQOBNQFQ-MRXNPFEDSA-N 1 0 386.277 2.588 20 0 GFADRO COC(=O)c1ccc(C[NH2+][C@H]2CCN(c3ccccn3)C2)c(Br)c1 ZINC000585766825 565110648 /nfs/dbraw/zinc/11/06/48/565110648.db2.gz WBPWNQUJYBHNLE-HNNXBMFYSA-N 1 0 390.281 2.999 20 0 GFADRO CO[C@@](C)(C[NH2+]Cc1ccc(S(C)(=O)=O)s1)COCc1ccccc1 ZINC000657593017 565111387 /nfs/dbraw/zinc/11/13/87/565111387.db2.gz XPFOWFDYVRBAOF-SFHVURJKSA-N 1 0 383.535 2.863 20 0 GFADRO CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)C[NH2+][C@@H]1CSC[C@@H]1C ZINC000586779910 565117525 /nfs/dbraw/zinc/11/75/25/565117525.db2.gz NNVLDLGONZRQSD-JOYOIKCWSA-N 1 0 384.523 2.715 20 0 GFADRO CCO[C@@H]1C[C@](CO)([NH2+]Cc2cn3ccc(Br)cc3n2)C1(C)C ZINC000685621443 565117527 /nfs/dbraw/zinc/11/75/27/565117527.db2.gz VBPHMIPIEGUNCP-RHSMWYFYSA-N 1 0 382.302 2.753 20 0 GFADRO C[N@H+](CCCNC(=O)CCn1cc(Br)cn1)Cc1ccccc1 ZINC000614536865 565118386 /nfs/dbraw/zinc/11/83/86/565118386.db2.gz XNFGVLVRYLZZMA-UHFFFAOYSA-N 1 0 379.302 2.674 20 0 GFADRO Cc1cc(Br)cn2c(C[NH2+]C3CCN([C@H]4CCOC4)CC3)cnc12 ZINC000657753133 565126586 /nfs/dbraw/zinc/12/65/86/565126586.db2.gz ULLDABPDZVPOJU-INIZCTEOSA-N 1 0 393.329 2.748 20 0 GFADRO C[NH+](C)CCOc1cccc(NC(=O)CCn2cc(Br)cn2)c1 ZINC000614685784 565127771 /nfs/dbraw/zinc/12/77/71/565127771.db2.gz UPYVNWPGJHKGNQ-UHFFFAOYSA-N 1 0 381.274 2.615 20 0 GFADRO CC(C)(C)N1C[C@H](C[NH2+]Cc2cnc3ccc(Br)cn23)CC1=O ZINC000657755036 565127762 /nfs/dbraw/zinc/12/77/62/565127762.db2.gz PCPRFODHEVOSKJ-LBPRGKRZSA-N 1 0 379.302 2.833 20 0 GFADRO CC[N@H+](CCNC(=O)[C@@H]1CCN(c2cccc(Br)c2)C1=O)C(C)C ZINC000588225226 565130947 /nfs/dbraw/zinc/13/09/47/565130947.db2.gz GHKGCGBBKCALKE-INIZCTEOSA-N 1 0 396.329 2.649 20 0 GFADRO O=C(Nc1cccc(Br)c1F)C(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000657831943 565132192 /nfs/dbraw/zinc/13/21/92/565132192.db2.gz GTSVJINZCWLTDD-LBPRGKRZSA-N 1 0 398.276 2.614 20 0 GFADRO CC[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]CC1(O)CCS(=O)(=O)CC1 ZINC000657887948 565136204 /nfs/dbraw/zinc/13/62/04/565136204.db2.gz KPROGIBPJVTIPA-OAHLLOKOSA-N 1 0 379.444 2.556 20 0 GFADRO C[C@H](Cc1ccc(Cl)c(C(F)(F)F)c1)[NH2+]CCN1CCCS1(=O)=O ZINC000657912937 565136908 /nfs/dbraw/zinc/13/69/08/565136908.db2.gz FZMUYRQUENCUKB-LLVKDONJSA-N 1 0 384.851 2.915 20 0 GFADRO COC[C@H](CC1CCOCC1)[NH2+]CCNC(=O)c1cccc(Br)c1 ZINC000657916414 565137162 /nfs/dbraw/zinc/13/71/62/565137162.db2.gz BEJWPFWSEGRYDW-KRWDZBQOSA-N 1 0 399.329 2.600 20 0 GFADRO C[C@H](Cc1ccc(Cl)c(C(F)(F)F)c1)[NH2+]CC1CN(S(C)(=O)=O)C1 ZINC000657980643 565142759 /nfs/dbraw/zinc/14/27/59/565142759.db2.gz OMGYOGASANJLKL-SNVBAGLBSA-N 1 0 384.851 2.771 20 0 GFADRO COCC[N@H+](C)CCNC(=O)[C@@H](C)Oc1ccc(Cl)cc1Br ZINC000588933753 565145463 /nfs/dbraw/zinc/14/54/63/565145463.db2.gz JEBBHXCDCWCTSA-LLVKDONJSA-N 1 0 393.709 2.564 20 0 GFADRO Cc1c(Br)cccc1NC(=O)C(=O)NCC[N@H+]1CCCC[C@@H]1C ZINC000588989370 565146262 /nfs/dbraw/zinc/14/62/62/565146262.db2.gz LYXRXHJWMJRGFW-LBPRGKRZSA-N 1 0 382.302 2.687 20 0 GFADRO CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CC[C@H](Oc2cncc(Br)c2)C1 ZINC000615126175 565146560 /nfs/dbraw/zinc/14/65/60/565146560.db2.gz HOTLUGFMOKBRME-JSGCOSHPSA-N 1 0 384.318 2.991 20 0 GFADRO CC(C)[NH+]1CCC(C(=O)N2CC[C@@H](Oc3cncc(Br)c3)C2)CC1 ZINC000615127851 565147496 /nfs/dbraw/zinc/14/74/96/565147496.db2.gz UISOFOUEMGZYQH-MRXNPFEDSA-N 1 0 396.329 2.944 20 0 GFADRO C[C@@H]([NH2+][C@@H]1CCN(S(C)(=O)=O)C1)c1ccc(Br)c(Cl)c1 ZINC000658048427 565147807 /nfs/dbraw/zinc/14/78/07/565147807.db2.gz XIQSEUBXPSQJND-MWLCHTKSSA-N 1 0 381.723 2.787 20 0 GFADRO CC(C)[C@@H](Cc1ccc(Br)cc1)[NH2+][C@@H]1CCN(S(C)(=O)=O)C1 ZINC000658047056 565148050 /nfs/dbraw/zinc/14/80/50/565148050.db2.gz ORKAEVMWCGBGIO-HZPDHXFCSA-N 1 0 389.359 2.640 20 0 GFADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]CCc1noc2ccccc21 ZINC000658065960 565149069 /nfs/dbraw/zinc/14/90/69/565149069.db2.gz URVXYOUXAKNZOW-GFCCVEGCSA-N 1 0 376.254 2.973 20 0 GFADRO C[C@@H]([NH2+]CCNC(=O)c1ccc(Br)cn1)c1ccc(Cl)cn1 ZINC000658091763 565149565 /nfs/dbraw/zinc/14/95/65/565149565.db2.gz HTRDSCRXXFFQPG-SNVBAGLBSA-N 1 0 383.677 2.973 20 0 GFADRO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)c2cc(-c3ccc(Br)cc3)no2)C1 ZINC000615182703 565150027 /nfs/dbraw/zinc/15/00/27/565150027.db2.gz ABYPDYASDOXABR-WFASDCNBSA-N 1 0 376.254 2.880 20 0 GFADRO Cc1c(Br)cccc1NC(=O)C(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000658125268 565152024 /nfs/dbraw/zinc/15/20/24/565152024.db2.gz WVAXLEXFPOPCLL-LBPRGKRZSA-N 1 0 382.302 2.685 20 0 GFADRO CC[C@@H]([NH2+]C[C@@]1(OCCO)CCOC1)c1cc(F)cc(Br)c1 ZINC000658150405 565153398 /nfs/dbraw/zinc/15/33/98/565153398.db2.gz ZZKPELQTZJESGP-CVEARBPZSA-N 1 0 376.266 2.797 20 0 GFADRO COc1ncc(Br)cc1CNC(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000637406813 565154599 /nfs/dbraw/zinc/15/45/99/565154599.db2.gz GXGOSJUORIKRSX-HNNXBMFYSA-N 1 0 399.333 2.869 20 0 GFADRO COc1cc(C)c(Br)cc1C(=O)N1CCOC[C@H]1[C@@H]1CCC[N@@H+]1C ZINC000615264184 565155061 /nfs/dbraw/zinc/15/50/61/565155061.db2.gz COSXFAXCEIOBOR-HOTGVXAUSA-N 1 0 397.313 2.701 20 0 GFADRO CC[C@@H](C)[N@H+](C)CCNC(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000589180405 565155232 /nfs/dbraw/zinc/15/52/32/565155232.db2.gz DHFCOVWPSALVMH-KGLIPLIRSA-N 1 0 396.329 2.649 20 0 GFADRO COc1cc(Cl)ccc1S(=O)(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000615300942 565156065 /nfs/dbraw/zinc/15/60/65/565156065.db2.gz OQBBWRXKJJIKAP-MRXNPFEDSA-N 1 0 382.913 2.800 20 0 GFADRO COc1c(Cl)cc(NC(=O)C(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)cc1Cl ZINC000658262186 565157300 /nfs/dbraw/zinc/15/73/00/565157300.db2.gz OZMYEAUGKYLFBI-JTQLQIEISA-N 1 0 388.295 2.930 20 0 GFADRO C[NH2+]C[C@H]1CCCN(S(=O)(=O)c2cc(Cl)cc(Br)c2)C1 ZINC000658361429 565161094 /nfs/dbraw/zinc/16/10/94/565161094.db2.gz ZMURRLXPDOQBTF-SNVBAGLBSA-N 1 0 381.723 2.723 20 0 GFADRO CCCOc1ccc(Br)cc1S(=O)(=O)N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000658369343 565163095 /nfs/dbraw/zinc/16/30/95/565163095.db2.gz WOWMRETZSKACNQ-YPMHNXCESA-N 1 0 391.331 2.596 20 0 GFADRO C[C@H](CC[NH3+])NS(=O)(=O)c1cc(Cl)c(Cl)cc1Br ZINC000658374092 565163535 /nfs/dbraw/zinc/16/35/35/565163535.db2.gz JHFOFGUREJOVMZ-ZCFIWIBFSA-N 1 0 376.103 2.772 20 0 GFADRO CSC1(CNC(=O)COc2ccc(Br)cc2)CC[NH+](C)CC1 ZINC000589477220 565164166 /nfs/dbraw/zinc/16/41/66/565164166.db2.gz GOWQSRGMNXVHHX-UHFFFAOYSA-N 1 0 387.343 2.772 20 0 GFADRO C[NH+](C)CC1CN(C(=O)[C@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)C1 ZINC000615512159 565164342 /nfs/dbraw/zinc/16/43/42/565164342.db2.gz CQISJEBCPHSQQH-MRXNPFEDSA-N 1 0 384.307 2.618 20 0 GFADRO O=S(=O)(c1cc(Cl)ccc1OC(F)(F)F)N1CCC2(CC[NH2+]2)CC1 ZINC000658382192 565165942 /nfs/dbraw/zinc/16/59/42/565165942.db2.gz OLBACHCRTHGRKX-UHFFFAOYSA-N 1 0 384.807 2.755 20 0 GFADRO COc1cc(Cl)ccc1S(=O)(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000658390474 565167112 /nfs/dbraw/zinc/16/71/12/565167112.db2.gz AGPVICFHEMCJLT-HZPDHXFCSA-N 1 0 380.897 2.773 20 0 GFADRO CO[C@@]1(C(F)(F)F)CCCN(C(=O)NCC2(SC)CC[NH+](C)CC2)C1 ZINC000589628998 565167824 /nfs/dbraw/zinc/16/78/24/565167824.db2.gz LOTGSEKQTADECK-HNNXBMFYSA-N 1 0 383.480 2.567 20 0 GFADRO O=S(=O)(Cc1cc(F)ccc1Br)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000658400734 565168403 /nfs/dbraw/zinc/16/84/03/565168403.db2.gz ZWCYXZIVNNETAX-ZDUSSCGKSA-N 1 0 391.306 2.682 20 0 GFADRO O=C(NC[C@H]1CCCC[N@H+]1CCO)c1c(Cl)cccc1Br ZINC000615657127 565168815 /nfs/dbraw/zinc/16/88/15/565168815.db2.gz NDAYUZLIRLVNAS-LLVKDONJSA-N 1 0 375.694 2.679 20 0 GFADRO CC(C)(Oc1ccc(Br)cc1)C(=O)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000615660625 565168855 /nfs/dbraw/zinc/16/88/55/565168855.db2.gz XNRNYLKPRSCXJD-HNNXBMFYSA-N 1 0 399.329 2.570 20 0 GFADRO C[C@H](CCNC(=O)C(=O)Nc1ccc(Br)c2ccccc12)[NH+](C)C ZINC000658426881 565169740 /nfs/dbraw/zinc/16/97/40/565169740.db2.gz LSROWBVGQPITKQ-GFCCVEGCSA-N 1 0 392.297 2.997 20 0 GFADRO CC(C)c1cc(Br)ccc1NC(=O)C(=O)NCC[C@H](C)[NH+](C)C ZINC000658428385 565169751 /nfs/dbraw/zinc/16/97/51/565169751.db2.gz SEQFVEHNUWVGAG-LBPRGKRZSA-N 1 0 384.318 2.967 20 0 GFADRO Cc1ccc(CNC(=O)N2CCOC3(CC[NH+](C)CC3)C2)cc1Br ZINC000637774652 565172872 /nfs/dbraw/zinc/17/28/72/565172872.db2.gz JXRZJOKRIUONSR-UHFFFAOYSA-N 1 0 396.329 2.764 20 0 GFADRO CN(CCN1CC[NH2+]CC1)C(=O)c1cc(-c2ccc(Cl)cc2Cl)on1 ZINC000637832929 565174531 /nfs/dbraw/zinc/17/45/31/565174531.db2.gz MZQYPKKKXUGXQZ-UHFFFAOYSA-N 1 0 383.279 2.626 20 0 GFADRO O=C(Nc1ccc(Br)cc1)c1nnn([C@@H]2CC[NH2+]C2)c1C(F)F ZINC000637870030 565175728 /nfs/dbraw/zinc/17/57/28/565175728.db2.gz USJNZBDALPESBR-SNVBAGLBSA-N 1 0 386.200 2.765 20 0 GFADRO [NH3+]C[C@@]1(C(=O)Nc2nnc(SCc3ccc(F)cc3)s2)CCCOC1 ZINC000637874721 565175735 /nfs/dbraw/zinc/17/57/35/565175735.db2.gz FPCUBKGMLNZBJW-INIZCTEOSA-N 1 0 382.486 2.664 20 0 GFADRO CN(CC1C[NH+](C)C1)C(=O)C(=O)Nc1cccc(Cl)c1SCC(F)F ZINC000658540169 565175763 /nfs/dbraw/zinc/17/57/63/565175763.db2.gz QJIWCRZDZQEDOQ-UHFFFAOYSA-N 1 0 391.871 2.656 20 0 GFADRO Cc1cc(C)c(C(=O)N2CC[C@@H]3C[N@@H+](C)C[C@H]32)cc1I ZINC000590046401 565176031 /nfs/dbraw/zinc/17/60/31/565176031.db2.gz CCVHVUJVHCLHRA-IUODEOHRSA-N 1 0 384.261 2.684 20 0 GFADRO C[N@@H+]1C[C@H]2CCN(C(=O)c3cc(Cl)ccc3I)[C@H]2C1 ZINC000590043588 565176198 /nfs/dbraw/zinc/17/61/98/565176198.db2.gz BQCIKKXVBBFNED-RNCFNFMXSA-N 1 0 390.652 2.721 20 0 GFADRO C[N@@H+]1C[C@H]2CCN(C(=O)c3ccc(I)cc3Cl)[C@H]2C1 ZINC000590044669 565176477 /nfs/dbraw/zinc/17/64/77/565176477.db2.gz LQELQPIJCWSATE-RNCFNFMXSA-N 1 0 390.652 2.721 20 0 GFADRO CCC(CC)[N@H+](CCOC)Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000637937141 565177016 /nfs/dbraw/zinc/17/70/16/565177016.db2.gz WNAYCZMRQBBZGZ-UHFFFAOYSA-N 1 0 393.347 2.734 20 0 GFADRO Cc1cc(C[NH3+])oc1C(=O)N[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000638097799 565184933 /nfs/dbraw/zinc/18/49/33/565184933.db2.gz GJDQJJWOOPOKJJ-ZDUSSCGKSA-N 1 0 378.270 2.818 20 0 GFADRO C[NH+]1CCC2(CCN(C(=O)c3ccc(I)cc3)C2)CC1 ZINC000590376402 565185323 /nfs/dbraw/zinc/18/53/23/565185323.db2.gz ZXUGQCVAURHCED-UHFFFAOYSA-N 1 0 384.261 2.849 20 0 GFADRO O=C(c1cc(Br)cc2nc[nH]c21)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000638143516 565186359 /nfs/dbraw/zinc/18/63/59/565186359.db2.gz SFDDOWINSCWYHT-CQSZACIVSA-N 1 0 377.286 2.930 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)[C@@H]3[C@@H]4Cc5c(cccc5Br)[C@@H]43)C[C@H]21 ZINC000638166805 565187612 /nfs/dbraw/zinc/18/76/12/565187612.db2.gz ZJQUNOOEPZBJJT-HHHHHFJKSA-N 1 0 375.310 2.921 20 0 GFADRO [NH3+]C[C@]1(C(=O)N2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)CCCOC1 ZINC000638293283 565190019 /nfs/dbraw/zinc/19/00/19/565190019.db2.gz LYXIGFOSZQUKMO-IAQYHMDHSA-N 1 0 377.432 2.623 20 0 GFADRO C[NH+](C)[C@H]1CCN(C(=O)NCCNc2ncc(C(F)(F)F)cc2Cl)C1 ZINC000590519633 565190826 /nfs/dbraw/zinc/19/08/26/565190826.db2.gz TXJBBZPODDHWQX-NSHDSACASA-N 1 0 379.814 2.511 20 0 GFADRO CN(C(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000638308706 565191438 /nfs/dbraw/zinc/19/14/38/565191438.db2.gz VPRKYFKURSIEKA-IWUYGHHISA-N 1 0 384.307 2.876 20 0 GFADRO CO[C@H]1C[NH2+][C@](C)(C(=O)N2CCC(Oc3cccc(Br)c3)CC2)C1 ZINC000638300530 565191741 /nfs/dbraw/zinc/19/17/41/565191741.db2.gz HCLXOILLPAFADC-AEFFLSMTSA-N 1 0 397.313 2.586 20 0 GFADRO O=C(c1cc(Br)c2nccn2c1)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000638401469 565194899 /nfs/dbraw/zinc/19/48/99/565194899.db2.gz ULXJNCYYPAFYIU-AWEZNQCLSA-N 1 0 391.313 2.949 20 0 GFADRO Cn1cc(I)c(C[NH2+]C[C@H]2CCOc3ccccc32)n1 ZINC000590661319 565194874 /nfs/dbraw/zinc/19/48/74/565194874.db2.gz KDJNKBIWRJDHGQ-LLVKDONJSA-N 1 0 383.233 2.681 20 0 GFADRO C[C@@H](Cc1cccc(Br)c1)[NH2+]Cc1ccc(S(N)(=O)=O)cc1 ZINC000638417823 565195765 /nfs/dbraw/zinc/19/57/65/565195765.db2.gz KYPWOOSVCYMNDP-LBPRGKRZSA-N 1 0 383.311 2.817 20 0 GFADRO CC(C)CN(Cc1ccccc1Br)C(=O)c1cnc(C[NH3+])nc1 ZINC000638444414 565196535 /nfs/dbraw/zinc/19/65/35/565196535.db2.gz BGTBHTBGTDCHIY-UHFFFAOYSA-N 1 0 377.286 2.996 20 0 GFADRO C[C@@H]1CCN(C(=O)c2nn(-c3ccc(F)cc3)cc2Br)C[C@@H]1[NH3+] ZINC000658970665 565197299 /nfs/dbraw/zinc/19/72/99/565197299.db2.gz IWPGBYZOBQOUDP-YGRLFVJLSA-N 1 0 381.249 2.583 20 0 GFADRO C[C@H](C[C@H]1CCCC(=O)N1)[NH2+]CCCNC(=O)c1cccc(Br)c1 ZINC000638476870 565197706 /nfs/dbraw/zinc/19/77/06/565197706.db2.gz POITYSGSVLBOHD-CZUORRHYSA-N 1 0 396.329 2.606 20 0 GFADRO CCN(CC)S(=O)(=O)c1cc(NC(=O)N(C)CC(C)(C)[NH3+])ccc1Cl ZINC000658979019 565198320 /nfs/dbraw/zinc/19/83/20/565198320.db2.gz KFNYRLOYALRGOF-UHFFFAOYSA-N 1 0 390.937 2.572 20 0 GFADRO O=C(NCC12CC(C1)C[NH2+]2)Nc1ccnn1Cc1ccc(Br)cc1 ZINC000659010369 565199051 /nfs/dbraw/zinc/19/90/51/565199051.db2.gz UQECTWDWKZHCDG-UHFFFAOYSA-N 1 0 390.285 2.567 20 0 GFADRO Cc1cc(Br)c(Cl)cc1NC(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000659034281 565199604 /nfs/dbraw/zinc/19/96/04/565199604.db2.gz YLPMONSSOSHJOH-SNVBAGLBSA-N 1 0 376.682 2.992 20 0 GFADRO Cc1cc(Br)c(Cl)cc1NC(=O)C(=O)N1C[C@@H](C[NH3+])C[C@@H]1C ZINC000659081810 565200642 /nfs/dbraw/zinc/20/06/42/565200642.db2.gz RGECLATXJURHGX-VHSXEESVSA-N 1 0 388.693 2.545 20 0 GFADRO CC(=O)Nc1ccc(Cl)c(C(=O)N2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)c1 ZINC000638557681 565201601 /nfs/dbraw/zinc/20/16/01/565201601.db2.gz RVAHBSYNUAYKEY-ZWNOBZJWSA-N 1 0 377.794 2.898 20 0 GFADRO CN1CC[C@@H]([NH2+]CCCS(C)(=O)=O)C[C@H]1c1ccc(Br)cc1 ZINC000638546587 565201688 /nfs/dbraw/zinc/20/16/88/565201688.db2.gz BYWXPAVGRBLSIT-CVEARBPZSA-N 1 0 389.359 2.609 20 0 GFADRO C[C@@H](CNC(=O)Cc1ccc(Br)c(Br)c1)[NH+](C)C ZINC000616488061 565203165 /nfs/dbraw/zinc/20/31/65/565203165.db2.gz BDLGZGJWAKOHIH-VIFPVBQESA-N 1 0 378.108 2.820 20 0 GFADRO O=C(C[C@@H]1C[NH2+]CCO1)N[C@H]1CCCSc2ccc(Br)cc21 ZINC000638585497 565202726 /nfs/dbraw/zinc/20/27/26/565202726.db2.gz ZRJSSVMULUCEMD-OCCSQVGLSA-N 1 0 385.327 2.871 20 0 GFADRO C[NH2+]CCOCCN(C)C(=O)c1ccc(Br)cc1Br ZINC000638591197 565204225 /nfs/dbraw/zinc/20/42/25/565204225.db2.gz CYSZILMRLWMKMA-UHFFFAOYSA-N 1 0 394.107 2.520 20 0 GFADRO CCO[C@H]1C[C@@]([NH3+])(C(=O)NCc2ccc(Br)c(F)c2F)C1(C)C ZINC000638598614 565204628 /nfs/dbraw/zinc/20/46/28/565204628.db2.gz AHNWNDSDOGMQKI-MEDUHNTESA-N 1 0 391.256 2.876 20 0 GFADRO O=C(Cc1csc(-c2ccc(Cl)cc2Cl)n1)NC[C@H]1COCC[NH2+]1 ZINC000638618054 565205546 /nfs/dbraw/zinc/20/55/46/565205546.db2.gz LCURSUCCDCOYNS-LBPRGKRZSA-N 1 0 386.304 2.764 20 0 GFADRO [NH3+]CC1(NC(=O)c2ccc(Br)c(OC(F)(F)F)c2)CCOCC1 ZINC000638630278 565205981 /nfs/dbraw/zinc/20/59/81/565205981.db2.gz AJGGIBATACXRKH-UHFFFAOYSA-N 1 0 397.191 2.585 20 0 GFADRO CN1CCC[C@@H](C[NH2+]Cc2ccc(S(N)(=O)=O)cc2)[C@H]1c1cccs1 ZINC000638670835 565206401 /nfs/dbraw/zinc/20/64/01/565206401.db2.gz LQAZUZRYUIFPGT-YJBOKZPZSA-N 1 0 379.551 2.568 20 0 GFADRO CN1C[C@H]([NH2+][C@@H]2CCN(C)[C@@H](c3ccc(Br)cc3)C2)CCC1=O ZINC000638667676 565206541 /nfs/dbraw/zinc/20/65/41/565206541.db2.gz ZATNLQXQRICYEG-BRWVUGGUSA-N 1 0 380.330 2.795 20 0 GFADRO CN1CCC[C@@H](C[NH2+]Cc2ccc(S(N)(=O)=O)cc2)[C@@H]1c1cccs1 ZINC000638670833 565206665 /nfs/dbraw/zinc/20/66/65/565206665.db2.gz LQAZUZRYUIFPGT-MAUKXSAKSA-N 1 0 379.551 2.568 20 0 GFADRO C[C@@H](CC(=O)Nc1ccc2c(c1)OCC[NH2+]C2)n1cc(Br)cn1 ZINC000638670074 565206842 /nfs/dbraw/zinc/20/68/42/565206842.db2.gz CENUONZOGBWEJN-NSHDSACASA-N 1 0 379.258 2.717 20 0 GFADRO O=C(Nc1ccc2c(c1)OCC[NH2+]C2)c1sc2c(c1Br)CNC2 ZINC000638670441 565207193 /nfs/dbraw/zinc/20/71/93/565207193.db2.gz GDDWEJXPWWJPJV-UHFFFAOYSA-N 1 0 394.294 2.848 20 0 GFADRO O=C(NCCc1cc(Cl)cc(Cl)c1)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000590863809 565207633 /nfs/dbraw/zinc/20/76/33/565207633.db2.gz XZJZMRCGNOLGRD-IAGOWNOFSA-N 1 0 386.323 2.777 20 0 GFADRO C[C@H]1C[C@@H](c2ccc(Br)cc2)CN1C(=O)COC1CC[NH2+]CC1 ZINC000638701236 565208182 /nfs/dbraw/zinc/20/81/82/565208182.db2.gz ZLQDENTYOAQJCV-DZGCQCFKSA-N 1 0 381.314 2.922 20 0 GFADRO CN1CC[C@@H]([NH2+]Cc2nnnn2C2CC2)C[C@@H]1c1ccc(Br)cc1 ZINC000638711478 565208378 /nfs/dbraw/zinc/20/83/78/565208378.db2.gz ZTYDODOXYVUAQY-GDBMZVCRSA-N 1 0 391.317 2.696 20 0 GFADRO [NH3+]C1(C(=O)NCCC(=O)Nc2ccc(Br)cc2)CC2(CCC2)C1 ZINC000659266798 565209183 /nfs/dbraw/zinc/20/91/83/565209183.db2.gz WGGFHZMTUZBIEL-UHFFFAOYSA-N 1 0 380.286 2.556 20 0 GFADRO CC(C)[NH+]1CCC(O)(CNCc2nc3cc(Br)ccc3o2)CC1 ZINC000638738739 565209261 /nfs/dbraw/zinc/20/92/61/565209261.db2.gz NMJNATRMUNJHQY-UHFFFAOYSA-N 1 0 382.302 2.915 20 0 GFADRO CO[C@@]1(C[NH2+][C@@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)CCOC1 ZINC000638758884 565209582 /nfs/dbraw/zinc/20/95/82/565209582.db2.gz CKYDWFLMLKKYDM-IUODEOHRSA-N 1 0 379.810 2.728 20 0 GFADRO CO[C@]1(C[NH2+]C2CCN(Cc3ccc(Br)cc3)CC2)CCOC1 ZINC000638747672 565209733 /nfs/dbraw/zinc/20/97/33/565209733.db2.gz DXHTXLCZKZBEHR-SFHVURJKSA-N 1 0 383.330 2.809 20 0 GFADRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)Cc1ccc(Br)c(Br)c1 ZINC000638772690 565210556 /nfs/dbraw/zinc/21/05/56/565210556.db2.gz DHBRUONJNNXAMM-QPUJVOFHSA-N 1 0 376.092 2.621 20 0 GFADRO CC(C)O[C@H](C[NH2+]C[C@H](O)CS(=O)(=O)c1cccs1)c1ccccc1 ZINC000638774015 565210607 /nfs/dbraw/zinc/21/06/07/565210607.db2.gz VXDDGCKPPOIIJP-DLBZAZTESA-N 1 0 383.535 2.639 20 0 GFADRO O=C(c1cc(F)ccc1Br)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000638780414 565210809 /nfs/dbraw/zinc/21/08/09/565210809.db2.gz ZSAKQWKPHYSHKK-CQSZACIVSA-N 1 0 385.277 2.819 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+][C@@H]2CCN(c3ccc(Cl)c(F)c3)C2)s1 ZINC000638801996 565211573 /nfs/dbraw/zinc/21/15/73/565211573.db2.gz DIJZFNKIIZUTLP-SNVBAGLBSA-N 1 0 389.905 2.557 20 0 GFADRO O=C(CN1CC[NH2+]CC1)Nc1nc([C@H]2CCC[C@@H](C(F)(F)F)C2)cs1 ZINC000638826596 565212862 /nfs/dbraw/zinc/21/28/62/565212862.db2.gz QICWQWQRMVINHC-NWDGAFQWSA-N 1 0 376.448 2.823 20 0 GFADRO [NH3+][C@H]1Cc2ccccc2N(C(=O)c2sc3c(c2Br)CNC3)C1 ZINC000659324838 565212972 /nfs/dbraw/zinc/21/29/72/565212972.db2.gz LLXOYXSECRRTMD-JTQLQIEISA-N 1 0 378.295 2.644 20 0 GFADRO [NH3+][C@@H]1Cc2ccccc2N(C(=O)c2sc3c(c2Br)CNC3)C1 ZINC000659324847 565213166 /nfs/dbraw/zinc/21/31/66/565213166.db2.gz LLXOYXSECRRTMD-SNVBAGLBSA-N 1 0 378.295 2.644 20 0 GFADRO [NH3+][C@H]1CCCCCN(C(=O)[C@@H]2CCO[C@H]2c2cncc(Br)c2)C1 ZINC000638815893 565213331 /nfs/dbraw/zinc/21/33/31/565213331.db2.gz PDNHYTLJLQGBGH-XHSDSOJGSA-N 1 0 382.302 2.652 20 0 GFADRO O=C([C@@H]1C[NH2+]CCC1(F)F)N1CCOC[C@@H]1c1ccc(Br)cc1 ZINC000659358007 565214465 /nfs/dbraw/zinc/21/44/65/565214465.db2.gz FLWSGZKEQTWQML-UONOGXRCSA-N 1 0 389.240 2.594 20 0 GFADRO C[NH2+]C[C@@H](C)C(=O)N1CCc2cc(Br)c(Br)cc2C1 ZINC000659382148 565215327 /nfs/dbraw/zinc/21/53/27/565215327.db2.gz LOYJQTFIULXTEE-SECBINFHSA-N 1 0 390.119 2.952 20 0 GFADRO [NH3+]C1(CNC(=O)NC[C@@H]2CCN(c3cccc(Br)c3)C2)CCCC1 ZINC000659441857 565217905 /nfs/dbraw/zinc/21/79/05/565217905.db2.gz BQRCFUBHVFQAET-AWEZNQCLSA-N 1 0 395.345 2.846 20 0 GFADRO O=C(CCc1ncc(-c2ccccc2Br)o1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638913646 565218067 /nfs/dbraw/zinc/21/80/67/565218067.db2.gz AQQNTDNERUWEBK-RYUDHWBXSA-N 1 0 376.254 2.609 20 0 GFADRO O=C(Cc1csc(-c2cccc(Br)c2)n1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638933326 565218459 /nfs/dbraw/zinc/21/84/59/565218459.db2.gz YIWCQGFGDCYHST-JSGCOSHPSA-N 1 0 378.295 2.688 20 0 GFADRO O=C(NC[C@H]1CCC[NH2+]C1)N1CCOC[C@H]1c1ccc(Br)cc1 ZINC000659509159 565219143 /nfs/dbraw/zinc/21/91/43/565219143.db2.gz DWBUMPRHSPACRW-BBRMVZONSA-N 1 0 382.302 2.532 20 0 GFADRO O=C(NCCC[NH2+]C1CC1)N1CCOC[C@H]1c1ccc(Br)cc1 ZINC000659506371 565219291 /nfs/dbraw/zinc/21/92/91/565219291.db2.gz RDMNLUYFOKJUFD-INIZCTEOSA-N 1 0 382.302 2.674 20 0 GFADRO O=C(NCC12CC(C1)C[NH2+]2)NCC1(c2ccc(Br)s2)CCC1 ZINC000659493448 565219354 /nfs/dbraw/zinc/21/93/54/565219354.db2.gz ZPRIEYAATSNVAV-UHFFFAOYSA-N 1 0 384.343 2.984 20 0 GFADRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N1CCOC[C@H]1c1ccc(Br)cc1 ZINC000659536849 565219851 /nfs/dbraw/zinc/21/98/51/565219851.db2.gz OTRRVXCSERBQAH-WQVCFCJDSA-N 1 0 382.302 2.530 20 0 GFADRO O=C(NC[C@H]1C[NH2+]CCO1)N[C@H]1CCCCc2cc(Br)ccc21 ZINC000659555347 565220545 /nfs/dbraw/zinc/22/05/45/565220545.db2.gz QCCHNGDCCMAJBZ-ZBFHGGJFSA-N 1 0 382.302 2.504 20 0 GFADRO O=C(Nc1cc(F)c(I)c(F)c1)N[C@@H]1CCC[NH2+]CC1 ZINC000591284716 565221267 /nfs/dbraw/zinc/22/12/67/565221267.db2.gz ZTLGFGHAXINBBR-MRVPVSSYSA-N 1 0 395.191 2.833 20 0 GFADRO O=C(NCC12CC(C1)C[NH2+]2)N1CCO[C@H](c2cc(F)c(Cl)cc2Cl)C1 ZINC000659617832 565221326 /nfs/dbraw/zinc/22/13/26/565221326.db2.gz JIBOMOZMLCPJCE-ZENMZRJKSA-N 1 0 388.270 2.967 20 0 GFADRO COC(=O)c1c(Br)ccc(NC(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)c1C ZINC000591301985 565222792 /nfs/dbraw/zinc/22/27/92/565222792.db2.gz DZPSRXWJONOGLG-RISCZKNCSA-N 1 0 396.285 2.760 20 0 GFADRO CN1CC[C@H]([NH2+]C[C@H]2CCCC(=O)N2)C[C@H]1c1ccc(Br)cc1 ZINC000639114210 565225636 /nfs/dbraw/zinc/22/56/36/565225636.db2.gz ASIAQDMZOMQYLG-BBWFWOEESA-N 1 0 380.330 2.843 20 0 GFADRO COc1ncc(Br)cc1CN1CCC(CC[NH+]2CCOCC2)CC1 ZINC000659860949 565226679 /nfs/dbraw/zinc/22/66/79/565226679.db2.gz JRMNVSGIZFPLAW-UHFFFAOYSA-N 1 0 398.345 2.787 20 0 GFADRO COc1ncc(Br)cc1CN1CCC[C@@H]1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000659855452 565226877 /nfs/dbraw/zinc/22/68/77/565226877.db2.gz DZYQTCGXNJYVIW-CKEIUWERSA-N 1 0 398.345 2.926 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+]CCc2cccc(OCC(F)(F)F)c2)s1 ZINC000639127804 565227538 /nfs/dbraw/zinc/22/75/38/565227538.db2.gz UZUNXHJEXZRUCO-UHFFFAOYSA-N 1 0 394.440 2.669 20 0 GFADRO [NH3+]C/C=C/CNC(=O)N1CCC[C@H]1c1ccc(I)cc1 ZINC000591361049 565227584 /nfs/dbraw/zinc/22/75/84/565227584.db2.gz YTMFASQZCWXEJO-YUKKFKLSSA-N 1 0 385.249 2.653 20 0 GFADRO COc1nsc(C[NH2+]C[C@H]2CCC3(CCOCC3)[C@@H]2O)c1Br ZINC000639144293 565228748 /nfs/dbraw/zinc/22/87/48/565228748.db2.gz UXZGXDNQLDQYGZ-ZWNOBZJWSA-N 1 0 391.331 2.572 20 0 GFADRO NS(=O)(=O)c1ccc(CN(Cc2ccccn2)C2CC2)cc1Br ZINC000639180505 565230439 /nfs/dbraw/zinc/23/04/39/565230439.db2.gz ZIFPNQKYNYKCCJ-UHFFFAOYSA-N 1 0 396.310 2.656 20 0 GFADRO COc1nsc(C[NH2+][C@H]2CC[C@](O)(C(F)(F)F)C2)c1Br ZINC000639202052 565231603 /nfs/dbraw/zinc/23/16/03/565231603.db2.gz RJYKUNQJAGRCSC-QUBYGPBYSA-N 1 0 375.210 2.850 20 0 GFADRO C[N@@H+]1CCC[C@H]1CNC(=O)Nc1nnc(SCc2ccc(F)cc2)s1 ZINC000591479097 565232496 /nfs/dbraw/zinc/23/24/96/565232496.db2.gz LYJBFYMYGWCRKI-ZDUSSCGKSA-N 1 0 381.502 3.185 20 0 GFADRO C[C@H]1C[N@@H+]2CCC[C@H]2CN1CC(=O)c1c[nH]c2ncc(Br)cc12 ZINC000659927385 565232558 /nfs/dbraw/zinc/23/25/58/565232558.db2.gz JEQDCMBXQBGFNW-AAEUAGOBSA-N 1 0 377.286 2.677 20 0 GFADRO CN(CC(=O)c1c[nH]c2ncc(Br)cc12)C[C@@H]1CCC[N@H+](C)C1 ZINC000659947797 565233241 /nfs/dbraw/zinc/23/32/41/565233241.db2.gz NKXIJQKPRJUMMH-GFCCVEGCSA-N 1 0 379.302 2.782 20 0 GFADRO C[C@H](CNC(=O)NCc1cc(Br)c2c(c1)OCCO2)[N@H+](C)C1CC1 ZINC000591580296 565234043 /nfs/dbraw/zinc/23/40/43/565234043.db2.gz RJXGWCMHXADTHE-LLVKDONJSA-N 1 0 398.301 2.502 20 0 GFADRO Cn1cc(CCC[NH2+]C[C@H](CO)Cc2ccc(F)c(Br)c2)cn1 ZINC000639238245 565234488 /nfs/dbraw/zinc/23/44/88/565234488.db2.gz RFZHCRKRBPRSRQ-OAHLLOKOSA-N 1 0 384.293 2.695 20 0 GFADRO C[C@@H]1CCCN(C(=O)c2c(F)cccc2I)[C@@H]1C[NH3+] ZINC000591676341 565235362 /nfs/dbraw/zinc/23/53/62/565235362.db2.gz MUUADFVAERAKMI-BXKDBHETSA-N 1 0 376.213 2.630 20 0 GFADRO Cn1cc(CCC[NH2+]C[C@H](CO)Cc2cc(Br)ccc2F)cn1 ZINC000639248604 565235694 /nfs/dbraw/zinc/23/56/94/565235694.db2.gz CIDVEHZRAVQTHZ-CQSZACIVSA-N 1 0 384.293 2.695 20 0 GFADRO O=C(CCCCCc1ccc(I)cc1)NCC1C[NH2+]C1 ZINC000591682136 565236514 /nfs/dbraw/zinc/23/65/14/565236514.db2.gz WZJMVTQPBDWILC-UHFFFAOYSA-N 1 0 386.277 2.730 20 0 GFADRO C[N@H+](C[C@@H](O)COc1cc(Cl)cc(Cl)c1)C[C@@H]1CNc2ccnn2C1 ZINC000639359342 565242489 /nfs/dbraw/zinc/24/24/89/565242489.db2.gz CQJDHJYQXLCVQU-SWLSCSKDSA-N 1 0 385.295 2.603 20 0 GFADRO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)Cc1ccc(Br)cc1F ZINC000617502316 565243120 /nfs/dbraw/zinc/24/31/20/565243120.db2.gz LJPPWHPZCXXKHT-ZDUSSCGKSA-N 1 0 388.325 2.519 20 0 GFADRO CCN(C(=O)c1cc(=O)[nH]c2ccc(Br)cc21)[C@@H]1CC[N@H+](C)C1 ZINC000617555345 565245328 /nfs/dbraw/zinc/24/53/28/565245328.db2.gz UTQLRGHGHXAYJJ-GFCCVEGCSA-N 1 0 378.270 2.869 20 0 GFADRO CCN(C(=O)[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)[C@H]1CC[N@H+](C)C1 ZINC000617556074 565245890 /nfs/dbraw/zinc/24/58/90/565245890.db2.gz JISQXMKCBCMXOT-KBPBESRZSA-N 1 0 384.307 2.899 20 0 GFADRO CC(C)[NH2+]C1CCN(CC(=O)c2c[nH]c3ncc(Br)cc23)CC1 ZINC000660063528 565247137 /nfs/dbraw/zinc/24/71/37/565247137.db2.gz DGCDEKDISICNGG-UHFFFAOYSA-N 1 0 379.302 2.971 20 0 GFADRO CCN(C(=O)CSc1nnc(-c2cccs2)n1CC)[C@@H]1CC[N@H+](C)C1 ZINC000617560133 565247426 /nfs/dbraw/zinc/24/74/26/565247426.db2.gz IDKLRCPKRVELFE-CYBMUJFWSA-N 1 0 379.555 2.671 20 0 GFADRO O=C(Nc1ccc(Br)cn1)C1CC[NH+](CCc2cnccn2)CC1 ZINC000639522706 565249015 /nfs/dbraw/zinc/24/90/15/565249015.db2.gz OAIZSYDLDIKJLB-UHFFFAOYSA-N 1 0 390.285 2.527 20 0 GFADRO Cc1c(C(=O)N[C@@H]2CCC[N@@H+](C)C2)cnn1-c1cccc(Br)c1 ZINC000592041109 565249445 /nfs/dbraw/zinc/24/94/45/565249445.db2.gz YXSXQMCELJGOSK-CQSZACIVSA-N 1 0 377.286 2.767 20 0 GFADRO CC(C)(COc1ncccc1Br)[NH2+]C[C@H](O)C[C@](C)(O)C1CC1 ZINC000639557859 565249981 /nfs/dbraw/zinc/24/99/81/565249981.db2.gz ROOJWIRRSOGKFP-DYVFJYSZSA-N 1 0 387.318 2.503 20 0 GFADRO C[N@H+](CC[C@@H]1Sc2ccccc2NC1=O)[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000660083859 565250125 /nfs/dbraw/zinc/25/01/25/565250125.db2.gz VSJGMOMTPJFESH-HYVNUMGLSA-N 1 0 382.551 2.777 20 0 GFADRO CC(C)c1ccc(Cl)c(S(=O)(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)c1 ZINC000660089397 565250980 /nfs/dbraw/zinc/25/09/80/565250980.db2.gz BBUIPYMIWFEVEB-INIZCTEOSA-N 1 0 386.945 2.683 20 0 GFADRO CC(C)[NH+]1CCC(N2CCN(Cc3nnc(C(F)(F)F)s3)CC2)CC1 ZINC000660106728 565253741 /nfs/dbraw/zinc/25/37/41/565253741.db2.gz JLJREEDAVNLCHC-UHFFFAOYSA-N 1 0 377.480 2.547 20 0 GFADRO O=c1cc([C@H]2CC[N@@H+](CCOc3cc(F)cc(Br)c3)C2)[nH]c(=O)[nH]1 ZINC000639714049 565257077 /nfs/dbraw/zinc/25/70/77/565257077.db2.gz QGTWCFKVESOAPM-JTQLQIEISA-N 1 0 398.232 2.658 20 0 GFADRO O=C(CC[N@H+]1CC[C@H](Oc2cncc(Br)c2)C1)NC1CCCC1 ZINC000639771058 565260082 /nfs/dbraw/zinc/26/00/82/565260082.db2.gz AJJGPLIBUKLQMT-HNNXBMFYSA-N 1 0 382.302 2.746 20 0 GFADRO O=S(=O)(NC[C@@H]1CCC[N@H+](CC2CC2)C1)c1cccc(Br)c1 ZINC000660178615 565263792 /nfs/dbraw/zinc/26/37/92/565263792.db2.gz JQEBGCZJKUIJMI-AWEZNQCLSA-N 1 0 387.343 2.849 20 0 GFADRO CC(C)[C@H]1CN(S(=O)(=O)c2c(Cl)cc(F)cc2Br)CC[NH2+]1 ZINC000660187497 565265320 /nfs/dbraw/zinc/26/53/20/565265320.db2.gz GMHKXGDTHQAJDR-GFCCVEGCSA-N 1 0 399.713 2.860 20 0 GFADRO CC[NH+]1CCN(CCC(=O)N2CC(Oc3cccc(Cl)c3Cl)C2)CC1 ZINC000617964587 565269549 /nfs/dbraw/zinc/26/95/49/565269549.db2.gz DIDJZMUBVNFTQK-UHFFFAOYSA-N 1 0 386.323 2.611 20 0 GFADRO COc1cc(NC(=O)N2CC[C@@H]([NH+]3CCCC3)[C@H]2C)ncc1Br ZINC000639965895 565270989 /nfs/dbraw/zinc/27/09/89/565270989.db2.gz VDPTWVONWDQYKV-DGCLKSJQSA-N 1 0 383.290 2.943 20 0 GFADRO CC1([NH+]2CCCC2)CCN([C@@H](C(N)=O)c2ccc(Br)cc2)CC1 ZINC000639982139 565272176 /nfs/dbraw/zinc/27/21/76/565272176.db2.gz HLBPJVRTTYPJSX-MRXNPFEDSA-N 1 0 380.330 2.926 20 0 GFADRO CC(=O)Nc1ccc(S(=O)(=O)CCC[NH2+][C@@H](C)c2cnc(C)s2)cc1 ZINC000639994823 565273029 /nfs/dbraw/zinc/27/30/29/565273029.db2.gz NCDUQORVQXMZKR-LBPRGKRZSA-N 1 0 381.523 2.925 20 0 GFADRO C[N@@H+](Cc1cccc(Br)c1OC[C@@H]1CCCO1)C[C@@H]1CNC(=O)C1 ZINC000660380626 565274167 /nfs/dbraw/zinc/27/41/67/565274167.db2.gz MPLJCSGSGKIIPL-ZFWWWQNUSA-N 1 0 397.313 2.575 20 0 GFADRO C[C@H](CCc1ccc(I)cc1)[NH2+]CCCc1ncn(C)n1 ZINC000592393388 565274294 /nfs/dbraw/zinc/27/42/94/565274294.db2.gz HICGBQUQTOYXRH-CYBMUJFWSA-N 1 0 398.292 2.963 20 0 GFADRO COC(=O)c1cc(NC(=O)N[C@@H](C)C[C@@H](C)[NH3+])c(Br)cc1F ZINC000592426812 565275716 /nfs/dbraw/zinc/27/57/16/565275716.db2.gz RFLHDGDSDIWFKN-SFYZADRCSA-N 1 0 376.226 2.622 20 0 GFADRO OC[C@@H]1C[N@H+](C[C@@H](O)COc2cc(Cl)ccc2Cl)C[C@H]1C(F)(F)F ZINC000640041151 565276074 /nfs/dbraw/zinc/27/60/74/565276074.db2.gz PZRCZNGYDGYDMJ-MVWJERBFSA-N 1 0 388.213 2.836 20 0 GFADRO CC[NH+](CC)CCN(Cc1ccc(Cl)cc1)C(=O)[C@@H](C)CS(C)(=O)=O ZINC000618173889 565276353 /nfs/dbraw/zinc/27/63/53/565276353.db2.gz CXCLGPXLEBFVCN-HNNXBMFYSA-N 1 0 388.961 2.691 20 0 GFADRO COC[C@H](C[NH2+][C@H](CO)c1ccc(Br)cc1C(F)(F)F)OC ZINC000660460814 565276611 /nfs/dbraw/zinc/27/66/11/565276611.db2.gz ILVBHCCQFVLVQE-GXFFZTMASA-N 1 0 386.208 2.752 20 0 GFADRO [NH3+]C[C@H]1CCCn2ncc(C(=O)N[C@@H]3CCc4cc(Br)ccc43)c21 ZINC000592501831 565279579 /nfs/dbraw/zinc/27/95/79/565279579.db2.gz OBJMTMYGNWQAFC-MLGOLLRUSA-N 1 0 389.297 2.899 20 0 GFADRO CCOC(=O)COc1c(Br)cc(C)cc1C[NH2+][C@@H]1CO[C@H](C)C1 ZINC000592526703 565280930 /nfs/dbraw/zinc/28/09/30/565280930.db2.gz JJSLYEAXKMFXTB-OCCSQVGLSA-N 1 0 386.286 2.966 20 0 GFADRO COC(=O)c1ccc(C[NH2+]CC(C)(C)[C@@]2(O)CCOC2)c(Br)c1 ZINC000592523507 565281191 /nfs/dbraw/zinc/28/11/91/565281191.db2.gz MYVVIBJPLJBKDT-QGZVFWFLSA-N 1 0 386.286 2.503 20 0 GFADRO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)CSc1cc(Cl)ccc1Cl ZINC000618300644 565284617 /nfs/dbraw/zinc/28/46/17/565284617.db2.gz ZKDVQZJYPSLLKX-UHFFFAOYSA-N 1 0 392.352 2.564 20 0 GFADRO CN1CCC([N@@H+]2CC[C@@H](NC(=O)NCc3ccc(Cl)c(Cl)c3)C2)CC1 ZINC000660712120 565290293 /nfs/dbraw/zinc/29/02/93/565290293.db2.gz IYJACXJBIJXPFK-CQSZACIVSA-N 1 0 385.339 2.961 20 0 GFADRO CN(C(=O)C[N@H+](C)[C@H]1CCSC1)[C@@H](CO)c1cccc(Cl)c1Cl ZINC000618341311 565290767 /nfs/dbraw/zinc/29/07/67/565290767.db2.gz DMYLDRUPHYVTAY-FZMZJTMJSA-N 1 0 377.337 2.923 20 0 GFADRO Cn1cc(Br)c(C(=O)N2CC[C@@H]([N@H+](C)CCc3ccccc3)C2)n1 ZINC000618352220 565291747 /nfs/dbraw/zinc/29/17/47/565291747.db2.gz JGEKEIPOVSHDTH-OAHLLOKOSA-N 1 0 391.313 2.572 20 0 GFADRO CCOC(=O)[C@@H](Cc1cc(Cl)cc(Cl)c1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000592775345 565293600 /nfs/dbraw/zinc/29/36/00/565293600.db2.gz AVGHGJPSRPMFCE-HFBAOOFYSA-N 1 0 387.307 2.924 20 0 GFADRO [NH3+][C@@H](CNC(=O)N1CCc2[nH]c3ccc(Br)cc3c2C1)C1CC1 ZINC000640293849 565294774 /nfs/dbraw/zinc/29/47/74/565294774.db2.gz BYWXQHICEGFOCO-AWEZNQCLSA-N 1 0 377.286 2.735 20 0 GFADRO CCOC(=O)C[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)c1cccc(Br)c1 ZINC000592787558 565296102 /nfs/dbraw/zinc/29/61/02/565296102.db2.gz PTSZFTSCBPGEAL-WQVCFCJDSA-N 1 0 397.313 2.900 20 0 GFADRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)Nc2nn(C)cc2Br)C1 ZINC000640310045 565298862 /nfs/dbraw/zinc/29/88/62/565298862.db2.gz SGNGQCCPKIGNHO-JSGCOSHPSA-N 1 0 392.301 3.140 20 0 GFADRO C[C@H]([NH2+]C(C)(C)CNC(=O)Nc1nn(C)cc1Br)c1ccccc1 ZINC000640326906 565301753 /nfs/dbraw/zinc/30/17/53/565301753.db2.gz OEBZXDBANQXFBI-LBPRGKRZSA-N 1 0 394.317 3.434 20 0 GFADRO CN(Cc1ccc(Cl)s1)C(=O)C[NH2+][C@@H](C1CC1)C1(CO)CCOCC1 ZINC000661084158 565305746 /nfs/dbraw/zinc/30/57/46/565305746.db2.gz WWBGNZYOTGURFX-KRWDZBQOSA-N 1 0 386.945 2.517 20 0 GFADRO O=C(CS(=O)(=O)c1ccc(Cl)cc1)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000618663575 565309368 /nfs/dbraw/zinc/30/93/68/565309368.db2.gz ZBEHRNJECKKEIA-HNNXBMFYSA-N 1 0 384.929 2.637 20 0 GFADRO COC[C@H]([NH2+]Cc1nc2ccc(Br)cc2n1C)C1CCOCC1 ZINC000661157457 565310583 /nfs/dbraw/zinc/31/05/83/565310583.db2.gz FZHKYHLMVJXCLM-HNNXBMFYSA-N 1 0 382.302 2.867 20 0 GFADRO O=C(c1cc(Br)ccc1O)N1CCCN(c2cc[nH+]cc2)CC1 ZINC000640449026 565311259 /nfs/dbraw/zinc/31/12/59/565311259.db2.gz YLSCMJBWDBZJQC-UHFFFAOYSA-N 1 0 376.254 2.902 20 0 GFADRO CO[C@@H]1CCC[C@H]([C@@H](CO)[NH2+]CCC(=O)Nc2ccc(Br)cc2)C1 ZINC000661220557 565314601 /nfs/dbraw/zinc/31/46/01/565314601.db2.gz RFFMZSYZAQJDOB-IAOVAPTHSA-N 1 0 399.329 2.933 20 0 GFADRO COC(=O)[C@@H]1C[N@H+](CCC(=O)Nc2cccc(Br)c2)C[C@H]1C1CC1 ZINC000593128782 565314599 /nfs/dbraw/zinc/31/45/99/565314599.db2.gz ANSIHWZKMQCSQM-JKSUJKDBSA-N 1 0 395.297 2.909 20 0 GFADRO C[NH+](C)CCCOc1ccc(NC(=O)Cn2cc(Br)cn2)cc1 ZINC000593132039 565315018 /nfs/dbraw/zinc/31/50/18/565315018.db2.gz WTZBETSZBWOHCJ-UHFFFAOYSA-N 1 0 381.274 2.615 20 0 GFADRO C[NH+](C)Cc1ccnc(NC(=O)N[C@@H](CO)c2ccc(Br)cc2)c1 ZINC000640567918 565316806 /nfs/dbraw/zinc/31/68/06/565316806.db2.gz UFSWFDUMFMZCRO-HNNXBMFYSA-N 1 0 393.285 2.761 20 0 GFADRO CN(Cc1cc(Br)cs1)C(=O)C[N@H+]1C[C@]2(C)COC[C@]2(C)C1 ZINC000661494358 565326100 /nfs/dbraw/zinc/32/61/00/565326100.db2.gz KPVADEKXPIXVOB-IYBDPMFKSA-N 1 0 387.343 2.827 20 0 GFADRO CC(C)[N@H+](C)C[C@H](O)CN1CCO[C@H](c2ccc(Br)cc2)[C@H]1C ZINC000661516911 565327139 /nfs/dbraw/zinc/32/71/39/565327139.db2.gz RBMHWACRMAZZSU-JLSDUUJJSA-N 1 0 385.346 2.912 20 0 GFADRO COCC[NH+](CCOC)C1CCN(C(=O)Nc2cscc2Cl)CC1 ZINC000640785226 565327837 /nfs/dbraw/zinc/32/78/37/565327837.db2.gz JYBPYOQUTGWYNA-UHFFFAOYSA-N 1 0 375.922 2.993 20 0 GFADRO C[C@@H](C(=O)NC1CCCC1)n1cc([C@H]([NH3+])c2ccc(Br)cc2)nn1 ZINC000640806109 565328627 /nfs/dbraw/zinc/32/86/27/565328627.db2.gz WTUJRMUQOOTXQN-MEDUHNTESA-N 1 0 392.301 2.709 20 0 GFADRO C[C@H](C(=O)Nc1ccc(Br)cc1)n1cc([C@@H]2CCC[NH2+]C2)nn1 ZINC000640801669 565328856 /nfs/dbraw/zinc/32/88/56/565328856.db2.gz WBPZZLKVNQVLON-VXGBXAGGSA-N 1 0 378.274 2.707 20 0 GFADRO C[C@H](C(=O)Nc1cc(Cl)ccc1Cl)n1cc([C@H]([NH3+])[C@H]2CCCO2)nn1 ZINC000640801147 565329256 /nfs/dbraw/zinc/32/92/56/565329256.db2.gz ARIWBNOEQKUQLG-ZWZTZDBGSA-N 1 0 384.267 2.963 20 0 GFADRO CCCN(CCC)C(=O)Cn1cc([C@@H]([NH3+])c2ccc(Br)cc2)nn1 ZINC000640862945 565332328 /nfs/dbraw/zinc/33/23/28/565332328.db2.gz FMTIYHWLOUJLHE-KRWDZBQOSA-N 1 0 394.317 2.737 20 0 GFADRO Ic1cc2ncnc(N3CC[C@H]([NH+]4CC=CC4)C3)c2s1 ZINC000593464633 565333487 /nfs/dbraw/zinc/33/34/87/565333487.db2.gz KDBNOSBQQZPONQ-JTQLQIEISA-N 1 0 398.273 2.746 20 0 GFADRO CC[C@H]([NH3+])c1cn([C@@H](C)C(=O)N(C)Cc2ccc(Br)cc2)nn1 ZINC000640926677 565337744 /nfs/dbraw/zinc/33/77/44/565337744.db2.gz RPWTYHLXJZFCNB-FZMZJTMJSA-N 1 0 380.290 2.670 20 0 GFADRO CC(C)[C@@H]([NH3+])c1cn(Cc2nc(-c3ccc(Br)s3)no2)nn1 ZINC000641048555 565343217 /nfs/dbraw/zinc/34/32/17/565343217.db2.gz RWOZOHKHROJLNV-GFCCVEGCSA-N 1 0 383.275 2.856 20 0 GFADRO [NH3+]C1CCN(CCc2cn(Cc3ccc(Br)c(Cl)c3)nn2)CC1 ZINC000641113750 565346943 /nfs/dbraw/zinc/34/69/43/565346943.db2.gz ATCNBXAZXOQFIH-UHFFFAOYSA-N 1 0 398.736 2.708 20 0 GFADRO CC(C)N(C)C(=O)[C@H](C)n1cc([C@H]([NH3+])c2ccc(Br)cc2)nn1 ZINC000641126213 565348299 /nfs/dbraw/zinc/34/82/99/565348299.db2.gz JPVGQINJLAYLSO-XHDPSFHLSA-N 1 0 380.290 2.517 20 0 GFADRO CC[NH+]1CCC(NC(=O)CN2CC[C@H]2c2ccc(Br)cc2)CC1 ZINC000662096694 565350145 /nfs/dbraw/zinc/35/01/45/565350145.db2.gz UAQGHYVYHVPNAM-KRWDZBQOSA-N 1 0 380.330 2.796 20 0 GFADRO O[C@H](COc1ccc(Cl)cc1Cl)Cn1cc(C[C@@H]2CCC[NH2+]C2)nn1 ZINC000641196806 565353316 /nfs/dbraw/zinc/35/33/16/565353316.db2.gz SMWHLXFISMPJOU-WFASDCNBSA-N 1 0 385.295 2.567 20 0 GFADRO CC[C@@H]([NH3+])c1cn(C[C@@H](O)COc2ccc(Cl)cc2Br)nn1 ZINC000641213919 565354096 /nfs/dbraw/zinc/35/40/96/565354096.db2.gz OUFARRQCYLNPLH-ZYHUDNBSSA-N 1 0 389.681 2.544 20 0 GFADRO COC(=O)c1cc(Cl)c(C)c(S(=O)(=O)N2CCC[C@H](C)[C@@H]2CC[NH3+])c1 ZINC000593733740 565358424 /nfs/dbraw/zinc/35/84/24/565358424.db2.gz INOCJUNSMHGWJW-NHYWBVRUSA-N 1 0 388.917 2.573 20 0 GFADRO C[NH+](C)CCC[C@@H]1CN(Cc2cn3cc(Br)ccc3n2)CCO1 ZINC000662323891 565360217 /nfs/dbraw/zinc/36/02/17/565360217.db2.gz TWBVGDDOLCWNOI-MRXNPFEDSA-N 1 0 381.318 2.639 20 0 GFADRO C[NH+](C)CCC[C@@H]1CN(C[C@H](O)COc2ccc(Cl)c(Cl)c2)CCO1 ZINC000662319417 565360508 /nfs/dbraw/zinc/36/05/08/565360508.db2.gz MUTCZCQLPNZJJH-GOEBONIOSA-N 1 0 391.339 2.776 20 0 GFADRO C[NH+](C)CCC[C@@H]1CN(Cc2cc3c(cc2Br)OCO3)CCO1 ZINC000662319047 565360848 /nfs/dbraw/zinc/36/08/48/565360848.db2.gz JNBRBCONRMXHJN-CQSZACIVSA-N 1 0 385.302 2.720 20 0 GFADRO N[C@H](C(=O)N1CCN(c2ccccc2F)CC1)c1ccccc1Br ZINC000662349587 565362317 /nfs/dbraw/zinc/36/23/17/565362317.db2.gz FUFPESXJXCCGOE-KRWDZBQOSA-N 1 0 392.272 2.937 20 0 GFADRO COc1ccc(Br)c(CNC(=O)c2cc(C3CC[NH2+]CC3)no2)c1 ZINC000662392195 565364720 /nfs/dbraw/zinc/36/47/20/565364720.db2.gz QMCPMVVPIWRCTE-UHFFFAOYSA-N 1 0 394.269 2.843 20 0 GFADRO COCC[N@@H+]1CC[C@H](NC(=O)Cc2c(C)[nH]c3ccc(Br)cc32)C1 ZINC000593909352 565367152 /nfs/dbraw/zinc/36/71/52/565367152.db2.gz XGQLIRRDJCBKJO-AWEZNQCLSA-N 1 0 394.313 2.618 20 0 GFADRO COCC[N@@H+]1CC[C@@H](NC(=O)CCCOc2cccc(Cl)c2Cl)C1 ZINC000593913531 565367248 /nfs/dbraw/zinc/36/72/48/565367248.db2.gz UPLWLUXDKMKZHM-CYBMUJFWSA-N 1 0 375.296 2.989 20 0 GFADRO COCC[N@@H+]1CC[C@@H](NC(=O)[C@@H](C)Sc2ccc(Br)cc2)C1 ZINC000593910903 565367282 /nfs/dbraw/zinc/36/72/82/565367282.db2.gz IBKKMOUKZVAJQD-TZMCWYRMSA-N 1 0 387.343 2.767 20 0 GFADRO Cc1c(I)cccc1C(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000593913865 565367630 /nfs/dbraw/zinc/36/76/30/565367630.db2.gz XPUBYOJUFBMKAM-LRDDRELGSA-N 1 0 384.261 2.801 20 0 GFADRO COCC[N@@H+]1CC[C@@H](NC(=O)[C@H](C)Sc2ccc(Br)cc2)C1 ZINC000593910900 565367687 /nfs/dbraw/zinc/36/76/87/565367687.db2.gz IBKKMOUKZVAJQD-GXTWGEPZSA-N 1 0 387.343 2.767 20 0 GFADRO CC1(C)C[NH2+]CCN1C(=O)CCC[S@](=O)c1ccc(Br)cc1 ZINC000593931708 565368586 /nfs/dbraw/zinc/36/85/86/565368586.db2.gz PYIBLJHRBKQXEY-QFIPXVFZSA-N 1 0 387.343 2.547 20 0 GFADRO CCN(C[C@H]1CCN(C(=O)c2cc3c(s2)CC[NH2+]C3)C1)CC(F)(F)F ZINC000662488730 565370953 /nfs/dbraw/zinc/37/09/53/565370953.db2.gz VCCDNODEGFTRQI-GFCCVEGCSA-N 1 0 375.460 2.740 20 0 GFADRO [NH3+]C[C@@H]1OCC[C@H]1C(=O)Nc1nc2ccc(OCC(F)(F)F)cc2s1 ZINC000662484583 565371013 /nfs/dbraw/zinc/37/10/13/565371013.db2.gz KTXGCOBCCZUBOG-KOLCDFICSA-N 1 0 375.372 2.540 20 0 GFADRO [NH3+]C[C@H]1OCC[C@@H]1C(=O)Nc1nc2ccc(OCC(F)(F)F)cc2s1 ZINC000662484579 565371541 /nfs/dbraw/zinc/37/15/41/565371541.db2.gz KTXGCOBCCZUBOG-GXSJLCMTSA-N 1 0 375.372 2.540 20 0 GFADRO [NH3+]C[C@H]1OCC[C@H]1C(=O)Nc1nc2ccc(OCC(F)(F)F)cc2s1 ZINC000662484587 565371742 /nfs/dbraw/zinc/37/17/42/565371742.db2.gz KTXGCOBCCZUBOG-MWLCHTKSSA-N 1 0 375.372 2.540 20 0 GFADRO O=C(N[C@@H]1CCc2[nH]cnc2C1)N1CCOc2c(Br)cccc2C1 ZINC000641425740 565371782 /nfs/dbraw/zinc/37/17/82/565371782.db2.gz HMWYVQJVVHBVMG-GFCCVEGCSA-N 1 0 391.269 2.634 20 0 GFADRO Cc1cc(Br)c(NC(=O)C(=O)N[C@H]2CCC[N@@H+](C)C2)cc1Cl ZINC000662517422 565373420 /nfs/dbraw/zinc/37/34/20/565373420.db2.gz DQLVPTXUZNZRNG-JTQLQIEISA-N 1 0 388.693 2.560 20 0 GFADRO O=C(c1cc(-c2cccc(Br)c2)no1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000662521576 565373633 /nfs/dbraw/zinc/37/36/33/565373633.db2.gz QWZWKOHMWYLHLN-JSGCOSHPSA-N 1 0 376.254 2.928 20 0 GFADRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)Cc1ccc(Br)c(Br)c1 ZINC000662557296 565377027 /nfs/dbraw/zinc/37/70/27/565377027.db2.gz HDFMWFTYFLJRCB-ZANVPECISA-N 1 0 390.119 2.868 20 0 GFADRO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)c1cc(-c2cccc(Br)c2)no1 ZINC000662560820 565377074 /nfs/dbraw/zinc/37/70/74/565377074.db2.gz NXFVCGGQMNWKSL-STQMWFEESA-N 1 0 382.233 2.876 20 0 GFADRO CN(C(=O)Cc1ccc(Br)c(Br)c1)[C@@H](C[NH3+])C1CC1 ZINC000662570272 565377120 /nfs/dbraw/zinc/37/71/20/565377120.db2.gz AKMYKVYNQZTPJT-ZDUSSCGKSA-N 1 0 390.119 2.950 20 0 GFADRO COc1ccc(CCC(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)c(Br)c1 ZINC000662564849 565377503 /nfs/dbraw/zinc/37/75/03/565377503.db2.gz AEDBZORUWIQAPS-GASCZTMLSA-N 1 0 381.314 2.848 20 0 GFADRO C[C@H]([NH3+])CNC(=O)N1CCC[C@H]1c1nc(-c2ccccc2Br)no1 ZINC000641494795 565378024 /nfs/dbraw/zinc/37/80/24/565378024.db2.gz ZWRCSFSIXOBQPT-GWCFXTLKSA-N 1 0 394.273 2.693 20 0 GFADRO CSC1(CNC(=O)N[C@@H](C[C@@H]2CCCO2)C(F)(F)F)CC[NH+](C)CC1 ZINC000594177192 565378614 /nfs/dbraw/zinc/37/86/14/565378614.db2.gz YYGQEIHTPURAMH-STQMWFEESA-N 1 0 383.480 2.613 20 0 GFADRO COCC[NH2+]C1CCN(C(=O)CCc2ccc(OC)cc2Br)CC1 ZINC000662580833 565378643 /nfs/dbraw/zinc/37/86/43/565378643.db2.gz MMWDIODMPVPRMI-UHFFFAOYSA-N 1 0 399.329 2.617 20 0 GFADRO C[C@@H](CNC(=O)[C@@]1(C(F)(F)F)CC[NH2+]C1)Oc1ccc(Br)cc1 ZINC000662632245 565379148 /nfs/dbraw/zinc/37/91/48/565379148.db2.gz OMAPERFBPBKASV-IINYFYTJSA-N 1 0 395.219 2.875 20 0 GFADRO CCO[C@@H]1C[C@@]([NH3+])(C(=O)N2CCc3sc(Br)cc3C2)C1(C)C ZINC000662688809 565381896 /nfs/dbraw/zinc/38/18/96/565381896.db2.gz OXSVWKFOXIJCKL-MLGOLLRUSA-N 1 0 387.343 2.928 20 0 GFADRO O=C(NC[C@@H]1CCN(c2ccc(Cl)cc2)C1)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662700597 565382465 /nfs/dbraw/zinc/38/24/65/565382465.db2.gz WHDVXWFRMYKCTB-LRDDRELGSA-N 1 0 375.822 2.825 20 0 GFADRO Cc1cc(Br)c(S(=O)(=O)N2CCC3(C2)CC[NH+](C)CC3)s1 ZINC000641587902 565384506 /nfs/dbraw/zinc/38/45/06/565384506.db2.gz SBAJZRYBQYOQOB-UHFFFAOYSA-N 1 0 393.372 2.925 20 0 GFADRO O=C(CCc1cccc(F)c1Br)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000620477104 565384569 /nfs/dbraw/zinc/38/45/69/565384569.db2.gz AIMPNJFVTMNIGN-OAHLLOKOSA-N 1 0 399.304 2.578 20 0 GFADRO O=C(N1CCN(Cc2ccccc2Cl)CC1)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662787175 565385046 /nfs/dbraw/zinc/38/50/46/565385046.db2.gz IHWASCTZCKTKPP-INIZCTEOSA-N 1 0 375.822 2.526 20 0 GFADRO O=C(c1cc2cc(Br)ccc2o1)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000620487080 565386059 /nfs/dbraw/zinc/38/60/59/565386059.db2.gz QUSJFWCJJHYQLR-OAHLLOKOSA-N 1 0 393.281 2.867 20 0 GFADRO O=C(N1CCC([N@@H+]2CC[C@@H](O)C2)CC1)C1(c2ccc(Br)cc2)CC1 ZINC000620492814 565386367 /nfs/dbraw/zinc/38/63/67/565386367.db2.gz ZKUSVQLCMDZZFG-QGZVFWFLSA-N 1 0 393.325 2.538 20 0 GFADRO O=C(N1CCN(c2ccc(Br)cc2)CC1)C1([NH2+]C2CC2)CCC1 ZINC000662870751 565388300 /nfs/dbraw/zinc/38/83/00/565388300.db2.gz NMSNQQWMANNZFC-UHFFFAOYSA-N 1 0 378.314 2.772 20 0 GFADRO CC(C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)N1CC2CC1(C[NH3+])C2 ZINC000662926717 565390122 /nfs/dbraw/zinc/39/01/22/565390122.db2.gz VMRYGZQLRUDZIG-UHFFFAOYSA-N 1 0 384.307 2.680 20 0 GFADRO C[C@@H]1CN(C(=O)[C@](C)([NH3+])c2ccc(Br)cc2)C[C@](C)(C(F)F)O1 ZINC000663004069 565391801 /nfs/dbraw/zinc/39/18/01/565391801.db2.gz KRRZRPFONBRSDK-UHNFBRDESA-N 1 0 391.256 2.894 20 0 GFADRO O=C(N[C@H]1CCC[N@H+](CCN2CCOCC2)C1)c1cccc(Cl)c1Cl ZINC000641665735 565392158 /nfs/dbraw/zinc/39/21/58/565392158.db2.gz XQPOCFKMNUYGSW-AWEZNQCLSA-N 1 0 386.323 2.520 20 0 GFADRO CN1C[C@@H]([NH2+]Cc2cc(Br)sc2Br)CCC1=O ZINC000641726563 565396442 /nfs/dbraw/zinc/39/64/42/565396442.db2.gz PUMVJLFMNKNBHF-QMMMGPOBSA-N 1 0 382.121 2.984 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+][C@@H](CO)CC1CCC1 ZINC000641756080 565396973 /nfs/dbraw/zinc/39/69/73/565396973.db2.gz AJNDVOWHEAUUKM-BLLLJJGKSA-N 1 0 399.329 2.603 20 0 GFADRO CC[C@@H]1CN(C(=O)c2c(O)cnc3c(Br)cccc32)C[C@H](C)[NH2+]1 ZINC000620897979 565401087 /nfs/dbraw/zinc/40/10/87/565401087.db2.gz IXQCJNRWLMKUHX-WDEREUQCSA-N 1 0 378.270 2.915 20 0 GFADRO COc1ncc(C(=O)NCC2CC[NH+](CC3CC3)CC2)cc1Br ZINC000620937764 565402047 /nfs/dbraw/zinc/40/20/47/565402047.db2.gz AZCSYNSSPCQYCC-UHFFFAOYSA-N 1 0 382.302 2.705 20 0 GFADRO Cc1cc(OC[C@@H](O)C[NH2+]C[C@H]2CCS(=O)(=O)C2)c(C(C)C)cc1Cl ZINC000641966703 565403224 /nfs/dbraw/zinc/40/32/24/565403224.db2.gz FBQZVFAYZNMSJE-CABCVRRESA-N 1 0 389.945 2.536 20 0 GFADRO O=C(CNC(=O)c1ccc(Cl)c(Cl)c1)N1CC[NH+](C2CCCC2)CC1 ZINC000641992806 565403277 /nfs/dbraw/zinc/40/32/77/565403277.db2.gz TZVUCMHHXIHCCQ-UHFFFAOYSA-N 1 0 384.307 2.810 20 0 GFADRO O=C(NCCC[NH+]1CCCC1)N1CCOc2cc(Br)ccc2C1 ZINC000663238923 565403318 /nfs/dbraw/zinc/40/33/18/565403318.db2.gz DZDPBJXGWDBQTG-UHFFFAOYSA-N 1 0 382.302 2.839 20 0 GFADRO O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cc(Br)c[nH]c1=O ZINC000621243934 565411146 /nfs/dbraw/zinc/41/11/46/565411146.db2.gz XBMZJVBRVKWSNI-AWEZNQCLSA-N 1 0 376.254 2.554 20 0 GFADRO Cc1nc(-c2ccc(S(=O)(=O)N(C)[C@H](C[NH3+])C(F)(F)F)s2)cs1 ZINC000663312043 565411370 /nfs/dbraw/zinc/41/13/70/565411370.db2.gz SQOVPZNMKPHCII-SNVBAGLBSA-N 1 0 385.458 2.690 20 0 GFADRO COc1cc(CN2CCC[C@@H]2C[NH+]2C[C@@H](C)O[C@H](C)C2)c(Br)cn1 ZINC000621250612 565411667 /nfs/dbraw/zinc/41/16/67/565411667.db2.gz IPJQVVSUJVENOW-IIAWOOMASA-N 1 0 398.345 2.926 20 0 GFADRO CN([C@@H](C[NH3+])C(F)(F)F)S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000663309167 565412030 /nfs/dbraw/zinc/41/20/30/565412030.db2.gz AFZHIMBSXYRCOY-VIFPVBQESA-N 1 0 384.729 2.869 20 0 GFADRO CC(C)C[C@@H](Cc1cccc(Br)c1)C(=O)N1CCOC2(C[NH2+]C2)C1 ZINC000663488066 565422418 /nfs/dbraw/zinc/42/24/18/565422418.db2.gz QJCFDUVVOKZUFD-INIZCTEOSA-N 1 0 395.341 2.855 20 0 GFADRO CCOC(=O)c1cc2cc(S(=O)(=O)NCC[C@H](C)[NH+](C)C)ccc2s1 ZINC000594820354 565425892 /nfs/dbraw/zinc/42/58/92/565425892.db2.gz CLYSOERIEUNOMI-LBPRGKRZSA-N 1 0 384.523 2.697 20 0 GFADRO C[NH+](C)CCC[C@@H]1CN(C(=O)NCc2cc(Br)cs2)CCO1 ZINC000663704094 565431386 /nfs/dbraw/zinc/43/13/86/565431386.db2.gz LJFRDTYVJJEOGF-CYBMUJFWSA-N 1 0 390.347 2.763 20 0 GFADRO Cc1nc(C)c(Br)c(N2CC[C@H](OCC[NH+]3CCCCC3)C2)n1 ZINC000663731168 565432854 /nfs/dbraw/zinc/43/28/54/565432854.db2.gz IEIVFLGPHGZQSP-HNNXBMFYSA-N 1 0 383.334 2.937 20 0 GFADRO O=S1(=O)CC[C@H](N[C@H]2CC[NH2+]C3(CCC3)C2)c2cc(Br)ccc21 ZINC000643548866 565434812 /nfs/dbraw/zinc/43/48/12/565434812.db2.gz WIJIVGWJXKOSFP-ZFWWWQNUSA-N 1 0 399.354 2.932 20 0 GFADRO O=C(COc1ccccc1Br)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000643597074 565435343 /nfs/dbraw/zinc/43/53/43/565435343.db2.gz QAGBNNNZIWSZPR-GOEBONIOSA-N 1 0 375.266 2.700 20 0 GFADRO COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]CCC(=O)N(C)Cc1ccccc1Br ZINC000594924388 565436100 /nfs/dbraw/zinc/43/61/00/565436100.db2.gz NKIUNXTZNNROPY-NWANDNLSSA-N 1 0 397.313 2.585 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)NCC[C@H](C)[NH+](C)C ZINC000663883797 565441864 /nfs/dbraw/zinc/44/18/64/565441864.db2.gz XAVVXFDXWVPTIP-ZDUSSCGKSA-N 1 0 399.333 2.726 20 0 GFADRO C[C@H](CN1CCOCC1)[NH2+][C@@H]1CCc2ccc(I)cc21 ZINC000595010187 565442384 /nfs/dbraw/zinc/44/23/84/565442384.db2.gz IOQBRMKABAYBTJ-MLGOLLRUSA-N 1 0 386.277 2.589 20 0 GFADRO CCn1cnnc1CC[NH2+][C@@H]1CCc2ccc(I)cc21 ZINC000595019947 565443785 /nfs/dbraw/zinc/44/37/85/565443785.db2.gz SGFIUIKRECVVBZ-CQSZACIVSA-N 1 0 382.249 2.722 20 0 GFADRO CCS(=O)(=O)C[C@@H](C)[NH2+][C@H]1CCc2ccc(I)cc21 ZINC000595018700 565443826 /nfs/dbraw/zinc/44/38/26/565443826.db2.gz DPUZTCWMVYPQSO-YGRLFVJLSA-N 1 0 393.290 2.691 20 0 GFADRO COCC[C@H](COC)[NH2+][C@H]1CCc2ccc(I)cc21 ZINC000595037076 565444245 /nfs/dbraw/zinc/44/42/45/565444245.db2.gz AZFLQPBBWJQBGX-HIFRSBDPSA-N 1 0 375.250 2.920 20 0 GFADRO CCc1nncn1CC[NH2+][C@H]1CCc2ccc(I)cc21 ZINC000595029802 565444476 /nfs/dbraw/zinc/44/44/76/565444476.db2.gz YXPDHSWVTIUUDK-AWEZNQCLSA-N 1 0 382.249 2.722 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)NCC(F)(F)c2ccc(Br)cc2)C1 ZINC000621851305 565444702 /nfs/dbraw/zinc/44/47/02/565444702.db2.gz QJTLWHLGOIDKNN-WDEREUQCSA-N 1 0 376.245 2.920 20 0 GFADRO O=C(NCC(F)(F)c1ccc(Br)cc1)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000621850819 565445172 /nfs/dbraw/zinc/44/51/72/565445172.db2.gz DZLUWUWSRLRIHB-RISCZKNCSA-N 1 0 388.256 2.934 20 0 GFADRO CO[C@H](C[NH2+][C@H](C)c1ccccc1I)[C@@H]1CCOC1 ZINC000595060003 565445564 /nfs/dbraw/zinc/44/55/64/565445564.db2.gz JZNVKLVINLOBKN-LALPHHSUSA-N 1 0 375.250 2.993 20 0 GFADRO O[C@]1(CC[NH2+][C@H]2CCc3ccc(I)cc32)CCCOC1 ZINC000595046293 565445732 /nfs/dbraw/zinc/44/57/32/565445732.db2.gz KMHQJOBPXWHEMB-HOTGVXAUSA-N 1 0 387.261 2.800 20 0 GFADRO C[C@@H]1CN(CCNC(=O)N[C@H]2CCc3c2cccc3Br)[C@@H](C)CO1 ZINC000663955214 565445672 /nfs/dbraw/zinc/44/56/72/565445672.db2.gz JLOJTFMISUZOKS-AHIWAGSCSA-N 1 0 396.329 2.845 20 0 GFADRO C[C@@H](Cn1cncn1)[NH2+]Cc1cc(Cl)cc(I)c1 ZINC000595046480 565446158 /nfs/dbraw/zinc/44/61/58/565446158.db2.gz ZYVWWSZSSZWSRO-VIFPVBQESA-N 1 0 376.629 2.714 20 0 GFADRO COC[C@H]([NH2+]CCc1ccc(I)cc1)C1CCOCC1 ZINC000595094189 565448072 /nfs/dbraw/zinc/44/80/72/565448072.db2.gz HYLGASYNODSWLI-INIZCTEOSA-N 1 0 389.277 2.865 20 0 GFADRO C[NH+]1CCC([C@@H]2CCN(C(=O)c3cc4c(cc3Br)OCO4)C2)CC1 ZINC000621931975 565449934 /nfs/dbraw/zinc/44/99/34/565449934.db2.gz PKDNFXBDDDONKU-CYBMUJFWSA-N 1 0 395.297 2.982 20 0 GFADRO [NH3+][C@@]12CCC[C@@H]1CN(S(=O)(=O)c1cc(Cl)cc(Br)c1)C2 ZINC000622014556 565455527 /nfs/dbraw/zinc/45/55/27/565455527.db2.gz HLUUBOSETVCLKN-NOZJJQNGSA-N 1 0 379.707 2.604 20 0 GFADRO COc1cc(I)ccc1NC(=O)NCC1([NH3+])CCCC1 ZINC000595232634 565456962 /nfs/dbraw/zinc/45/69/62/565456962.db2.gz GJFNEEBITSNQEH-UHFFFAOYSA-N 1 0 389.237 2.693 20 0 GFADRO COC(=O)c1cc(Br)c(F)cc1NC(=O)NCC1([NH3+])CCCC1 ZINC000595233888 565457048 /nfs/dbraw/zinc/45/70/48/565457048.db2.gz YTMMBYPWIFLBQG-UHFFFAOYSA-N 1 0 388.237 2.768 20 0 GFADRO COCC[C@H](Cc1cccc(Br)c1)C(=O)N1CC[NH2+]CC1(C)C ZINC000644074557 565457766 /nfs/dbraw/zinc/45/77/66/565457766.db2.gz VCDMBJJXQHPNCC-OAHLLOKOSA-N 1 0 383.330 2.855 20 0 GFADRO COc1cc(C(=O)Nc2cnc3c(c2)C[NH2+]CC3)cc(Br)c1OC ZINC000644102392 565458467 /nfs/dbraw/zinc/45/84/67/565458467.db2.gz IOXXRYONIPOQMT-UHFFFAOYSA-N 1 0 392.253 2.759 20 0 GFADRO CC[C@H]1[NH2+]CC[C@@H]1C(=O)NCc1cc(Cl)ccc1I ZINC000595256018 565458906 /nfs/dbraw/zinc/45/89/06/565458906.db2.gz KPRBVZOSEAPTRU-WCQYABFASA-N 1 0 392.668 2.949 20 0 GFADRO COCCOc1ccc(Br)cc1NC(=O)[C@@H]1C[NH2+]CCC1(F)F ZINC000644154855 565461259 /nfs/dbraw/zinc/46/12/59/565461259.db2.gz RARJKEKPJFCMRM-NSHDSACASA-N 1 0 393.228 2.658 20 0 GFADRO C[N@@H+]1C[C@@H]2CCN(S(=O)(=O)Cc3ccc(Cl)cc3Br)[C@@H]2C1 ZINC000644301605 565470849 /nfs/dbraw/zinc/47/08/49/565470849.db2.gz QGBQHEHSPDXBJU-IINYFYTJSA-N 1 0 393.734 2.568 20 0 GFADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)C(C)(C)n1cccn1 ZINC000622801303 565475882 /nfs/dbraw/zinc/47/58/82/565475882.db2.gz RYYVOTNURBQBMF-UHFFFAOYSA-N 1 0 393.329 2.971 20 0 GFADRO CCN(C(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1)[C@H]1CC[N@H+](C)C1 ZINC000664771125 565477876 /nfs/dbraw/zinc/47/78/76/565477876.db2.gz BMFWHAVTZUIPGC-WBVHZDCISA-N 1 0 395.345 2.763 20 0 GFADRO O=C1CCCCCN1CCC[NH2+]C[C@H](O)COc1cccc(Br)c1 ZINC000644513776 565479367 /nfs/dbraw/zinc/47/93/67/565479367.db2.gz RWDCRWQHJJMCQI-INIZCTEOSA-N 1 0 399.329 2.571 20 0 GFADRO COc1cc([C@H](C)[NH2+][C@@H]2CC[C@@](O)(C(F)(F)F)C2)ccc1S(C)(=O)=O ZINC000644553082 565481898 /nfs/dbraw/zinc/48/18/98/565481898.db2.gz JUGHKAFGPLPIOU-NVBFEUDRSA-N 1 0 381.416 2.595 20 0 GFADRO CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+][C@H]2CC[C@@](O)(C(F)(F)F)C2)cc1 ZINC000644554194 565481989 /nfs/dbraw/zinc/48/19/89/565481989.db2.gz VPQDCYSXLHBBKY-CQDKDKBSSA-N 1 0 380.432 2.945 20 0 GFADRO C[C@@H](CNC(=O)NCc1cc(Cl)ccc1I)[NH+](C)C ZINC000595643183 565487283 /nfs/dbraw/zinc/48/72/83/565487283.db2.gz OIANVBAXOVPBFP-VIFPVBQESA-N 1 0 395.672 2.694 20 0 GFADRO CC[C@H]1C[C@H]([NH2+]CCS(=O)(=O)c2cccc(Br)c2)CCO1 ZINC000644674324 565489161 /nfs/dbraw/zinc/48/91/61/565489161.db2.gz QLBCZCMGAOCXKL-KGLIPLIRSA-N 1 0 376.316 2.770 20 0 GFADRO C[N@@H+]1CC[C@@]2(CCN(C(=O)c3cc(=O)[nH]c4ccc(Br)cc43)C2)C1 ZINC000644829816 565496636 /nfs/dbraw/zinc/49/66/36/565496636.db2.gz CKBFMGSECGFUME-GOSISDBHSA-N 1 0 390.281 2.871 20 0 GFADRO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)c2cc(Br)cc(Br)c2)C1 ZINC000644824431 565496958 /nfs/dbraw/zinc/49/69/58/565496958.db2.gz VXKXNFMBLOGYNM-ZANVPECISA-N 1 0 388.103 2.988 20 0 GFADRO CCOc1c(Br)cc(C(=O)N2CC[C@@H]3C[N@H+](C)C[C@@H]32)cc1OC ZINC000644820310 565497193 /nfs/dbraw/zinc/49/71/93/565497193.db2.gz VSESABQIGLXVAX-RISCZKNCSA-N 1 0 383.286 2.633 20 0 GFADRO CN(CCOc1ccc(Br)cc1)C(=O)[C@H]1CCc2nc[nH]c2C1 ZINC000665332207 565497261 /nfs/dbraw/zinc/49/72/61/565497261.db2.gz DBGKCWYMWMSBHN-LBPRGKRZSA-N 1 0 378.270 2.815 20 0 GFADRO O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)NCCc1ccc(I)cc1 ZINC000595948055 565501336 /nfs/dbraw/zinc/50/13/36/565501336.db2.gz REOBQWMWMYPMHZ-VHRNVKJDSA-N 1 0 398.288 2.871 20 0 GFADRO C[NH+]1CCC(NC(=O)Cc2ccc(Br)c(Br)c2)CC1 ZINC000665508979 565502956 /nfs/dbraw/zinc/50/29/56/565502956.db2.gz SGPRXHLFJZJQJR-UHFFFAOYSA-N 1 0 390.119 2.965 20 0 GFADRO COc1ccc(C(=O)NCC[NH2+]Cc2cc(C)c(Br)cn2)cc1 ZINC000623370708 565505280 /nfs/dbraw/zinc/50/52/80/565505280.db2.gz XEZODONVQRBHLB-UHFFFAOYSA-N 1 0 378.270 2.681 20 0 GFADRO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)Nc1ccc(F)cc1Br ZINC000665599175 565505529 /nfs/dbraw/zinc/50/55/29/565505529.db2.gz ZGFWFYHHVHNKBM-LBPRGKRZSA-N 1 0 389.313 2.982 20 0 GFADRO CC[C@H](C)[C@H]([NH3+])C(=O)N1Cc2sc(C(=O)OC)c(Br)c2C1 ZINC000596006690 565505878 /nfs/dbraw/zinc/50/58/78/565505878.db2.gz YSUAZAJBHIERHA-CPCISQLKSA-N 1 0 375.288 2.513 20 0 GFADRO C[C@@H](CCO)C[NH2+]Cc1cc(Cl)cc(Cl)c1OCCN1CCOCC1 ZINC000623436272 565511138 /nfs/dbraw/zinc/51/11/38/565511138.db2.gz LFRZZVDDBGEJAE-AWEZNQCLSA-N 1 0 391.339 2.813 20 0 GFADRO C[N@@H+]1CCC[C@@]2(CCN(S(=O)(=O)Cc3cccc(C(F)(F)F)c3)C2)C1 ZINC000645093288 565511985 /nfs/dbraw/zinc/51/19/85/565511985.db2.gz RMQGGRFSIQTGEO-MRXNPFEDSA-N 1 0 376.444 2.953 20 0 GFADRO O[C@H](C[NH2+]CCc1ccc(I)cc1)COc1ccccc1 ZINC000596065837 565512212 /nfs/dbraw/zinc/51/22/12/565512212.db2.gz VQZOCHXNMCNYPX-MRXNPFEDSA-N 1 0 397.256 2.863 20 0 GFADRO COc1cc(CNc2nc(N)[nH+]c3c2CCCC3)cc(Br)c1OC ZINC000645146039 565513970 /nfs/dbraw/zinc/51/39/70/565513970.db2.gz CBYKZCABYDBWEY-UHFFFAOYSA-N 1 0 393.285 2.751 20 0 GFADRO C[C@@H](O)C[C@@H](C)[NH2+]Cc1cc(Cl)cc(Cl)c1OCCN1CCOCC1 ZINC000623489207 565514463 /nfs/dbraw/zinc/51/44/63/565514463.db2.gz UVRSGYYTWDUIOT-ZIAGYGMSSA-N 1 0 391.339 2.953 20 0 GFADRO O=C1[C@H]([NH2+][C@@H]2CCc3cccc(Br)c3C2)CCN1C1CCOCC1 ZINC000645160975 565514492 /nfs/dbraw/zinc/51/44/92/565514492.db2.gz XSYOKKKXLUDJRZ-RDTXWAMCSA-N 1 0 393.325 2.676 20 0 GFADRO Cc1cc(N2CCC[C@H]([NH2+]Cc3cc(C)c(Br)cn3)C2)n(C)n1 ZINC000623509130 565515450 /nfs/dbraw/zinc/51/54/50/565515450.db2.gz UIABSBVYYOAYJE-AWEZNQCLSA-N 1 0 378.318 2.953 20 0 GFADRO C[N@@H+]1CCCC[C@H](CNC(=O)NCCOc2ccc(Br)cc2)C1 ZINC000623515915 565515812 /nfs/dbraw/zinc/51/58/12/565515812.db2.gz WAFWFFLEFUGZOM-CQSZACIVSA-N 1 0 384.318 2.859 20 0 GFADRO C[NH+](C)CCN1CCN(C(=O)c2ccc(OC(F)(F)F)c(Cl)c2)CC1 ZINC000623541936 565517508 /nfs/dbraw/zinc/51/75/08/565517508.db2.gz DZQHPLJQTMIDIS-UHFFFAOYSA-N 1 0 379.810 2.558 20 0 GFADRO CC[NH+](CC)C[C@H](C)NC(=O)NCc1cc(OC)c(O)cc1Br ZINC000645219463 565517961 /nfs/dbraw/zinc/51/79/61/565517961.db2.gz WOKFATUOGYEZFI-NSHDSACASA-N 1 0 388.306 2.693 20 0 GFADRO COc1cc(CNC(=O)N[C@H](C)C2=CC[N@H+](C)CC2)c(Br)cc1O ZINC000645422831 565524675 /nfs/dbraw/zinc/52/46/75/565524675.db2.gz SSSFJWQBVKNOFC-LLVKDONJSA-N 1 0 398.301 2.613 20 0 GFADRO CO[C@H](CS(=O)(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1)C(C)C ZINC000645445023 565526086 /nfs/dbraw/zinc/52/60/86/565526086.db2.gz NNOKEZHRJROJPL-GOSISDBHSA-N 1 0 388.961 2.895 20 0 GFADRO C[NH+](C)CCn1ccc(NC(=O)N[C@H](CO)c2cccc(Cl)c2Cl)n1 ZINC000666184148 565526862 /nfs/dbraw/zinc/52/68/62/565526862.db2.gz XFFXGJNQHKMNJJ-CYBMUJFWSA-N 1 0 386.283 2.607 20 0 GFADRO CN1CCOC[C@@H]1C[NH2+]Cc1csc(-c2cccc(Br)c2)n1 ZINC000623710429 565527062 /nfs/dbraw/zinc/52/70/62/565527062.db2.gz CEWAIVOWUKCHRN-HNNXBMFYSA-N 1 0 382.327 2.993 20 0 GFADRO CC[NH+]1CCC(CCNC(=O)NCc2cc(Br)cnc2OC)CC1 ZINC000623727341 565528324 /nfs/dbraw/zinc/52/83/24/565528324.db2.gz VBGOUJYFDBGIBQ-UHFFFAOYSA-N 1 0 399.333 2.774 20 0 GFADRO C[C@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+]CCCN1CCCS1(=O)=O ZINC000623911611 565535331 /nfs/dbraw/zinc/53/53/31/565535331.db2.gz HIHPBGIJEVHYQC-LLVKDONJSA-N 1 0 399.866 2.700 20 0 GFADRO C[C@@H]([NH2+][C@@H]1CCCC[C@H]1NS(C)(=O)=O)c1ccc(F)cc1OC(F)F ZINC000624137038 565544892 /nfs/dbraw/zinc/54/48/92/565544892.db2.gz AIGCVDLVHBLEQK-LERXQTSPSA-N 1 0 380.432 2.938 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCCC[C@H]1NS(C)(=O)=O)c1nc2ccc(Cl)cc2n1C ZINC000624137950 565544935 /nfs/dbraw/zinc/54/49/35/565544935.db2.gz YYDLZDWPORXWJA-IACUBPJLSA-N 1 0 384.933 2.738 20 0 GFADRO COC[C@@](C)(NC(=O)[C@@H]1C[N@@H+](C(C)(C)C)C[C@H]1C(F)(F)F)C(F)(F)F ZINC000645657552 565548711 /nfs/dbraw/zinc/54/87/11/565548711.db2.gz KQHPHDDKZUPLRV-GIPNMCIBSA-N 1 0 378.357 2.979 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)c(Br)c1 ZINC000645694791 565553411 /nfs/dbraw/zinc/55/34/11/565553411.db2.gz IPDVHESUJDUHFN-GOSISDBHSA-N 1 0 394.313 2.559 20 0 GFADRO Cc1cc(Br)c(F)cc1S(=O)(=O)NCC1(C)CC[NH2+]CC1 ZINC000624363889 565553752 /nfs/dbraw/zinc/55/37/52/565553752.db2.gz WWPRSHYURDSCEK-UHFFFAOYSA-N 1 0 379.295 2.565 20 0 GFADRO C[C@H]1CC[C@H](NS(=O)(=O)c2cc(Cl)c(Br)cc2F)C[NH2+]1 ZINC000624405642 565555625 /nfs/dbraw/zinc/55/56/25/565555625.db2.gz NQLOMECTXVMMNS-YUMQZZPRSA-N 1 0 385.686 2.660 20 0 GFADRO CC[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000645736495 565556273 /nfs/dbraw/zinc/55/62/73/565556273.db2.gz QRYSZVKPKXETKL-XKQJLSEDSA-N 1 0 380.330 2.780 20 0 GFADRO C[C@]12C[NH2+]C[C@@]1(C)CN(S(=O)(=O)c1cc(Cl)ccc1OC(F)F)C2 ZINC000624411804 565556707 /nfs/dbraw/zinc/55/67/07/565556707.db2.gz VEDZNRPUMMLWDJ-GASCZTMLSA-N 1 0 380.844 2.562 20 0 GFADRO C[NH+](C)CCC[C@H]1CN(Cc2cccc(I)c2)CCO1 ZINC000597248085 565558260 /nfs/dbraw/zinc/55/82/60/565558260.db2.gz MADBTJKNYCTELW-INIZCTEOSA-N 1 0 388.293 2.834 20 0 GFADRO C[C@@]([NH3+])(C(=O)N1CCC[C@H](c2cc[nH]n2)C1)c1ccc(Br)cc1 ZINC000645774798 565560781 /nfs/dbraw/zinc/56/07/81/565560781.db2.gz HQCILDXEJXIUIB-SJCJKPOMSA-N 1 0 377.286 2.752 20 0 GFADRO C[N@@H+]1CCCC[C@@H](CNC(=O)NCc2cc3c(c(Br)c2)OCO3)C1 ZINC000624616161 565565683 /nfs/dbraw/zinc/56/56/83/565565683.db2.gz STOXUCSUUOVXBL-LBPRGKRZSA-N 1 0 398.301 2.709 20 0 GFADRO CCC(C)(C)[NH+]1CCN(C(=O)NCc2cc(Br)cnc2OC)CC1 ZINC000624630796 565566678 /nfs/dbraw/zinc/56/66/78/565566678.db2.gz COLVGOLLDOXFPC-UHFFFAOYSA-N 1 0 399.333 2.869 20 0 GFADRO Cc1c(Br)cncc1C(=O)Nc1c[nH+]ccc1N1CCN(C)CC1 ZINC000667054443 565568094 /nfs/dbraw/zinc/56/80/94/565568094.db2.gz IQFYYPFGORBOAN-UHFFFAOYSA-N 1 0 390.285 2.552 20 0 GFADRO CC[C@H](Cc1ccc(Br)cc1)NC(=O)NCC1(O)CC[NH+](C)CC1 ZINC000667134007 565572581 /nfs/dbraw/zinc/57/25/81/565572581.db2.gz MMHKWSXENJDNHI-MRXNPFEDSA-N 1 0 398.345 2.526 20 0 GFADRO COC1CC(C(=O)Nc2cc(Br)ccc2N2CC[NH+](C)CC2)C1 ZINC000624716004 565573087 /nfs/dbraw/zinc/57/30/87/565573087.db2.gz UWMPPNGNEQZZNH-UHFFFAOYSA-N 1 0 382.302 2.564 20 0 GFADRO COCC[C@@H](NC(=O)NC[C@@H]1COCCN1C)c1ccc(Cl)c(Cl)c1 ZINC000624731395 565573685 /nfs/dbraw/zinc/57/36/85/565573685.db2.gz JPIKHIXDXNICLS-CZUORRHYSA-N 1 0 390.311 2.701 20 0 GFADRO O=C(NC[C@@H]1C[NH2+]CCCO1)Nc1cc(Br)c(F)cc1Cl ZINC000667183782 565574677 /nfs/dbraw/zinc/57/46/77/565574677.db2.gz YQSULAXEDOEYMN-QMMMGPOBSA-N 1 0 380.645 2.742 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)Cc1cccc(I)c1 ZINC000597857363 565578510 /nfs/dbraw/zinc/57/85/10/565578510.db2.gz FPBSVTONEZLEDB-AWEZNQCLSA-N 1 0 386.277 2.823 20 0 GFADRO CC[C@H](C(=O)NCc1cc(Cl)ccc1I)[NH+](C)C ZINC000597896490 565580708 /nfs/dbraw/zinc/58/07/08/565580708.db2.gz FISBFGHTQSDNTF-GFCCVEGCSA-N 1 0 380.657 2.901 20 0 GFADRO O=C(NC[C@@H]1CCCC[NH2+]1)Nc1ccnn1Cc1ccc(Br)cc1 ZINC000667429039 565586435 /nfs/dbraw/zinc/58/64/35/565586435.db2.gz PSHQKBSEJUYWRG-HNNXBMFYSA-N 1 0 392.301 2.958 20 0 GFADRO COCC1(C(=O)NCC(C)(C)c2ccccc2Br)CC[NH2+]CC1 ZINC000646258687 565593254 /nfs/dbraw/zinc/59/32/54/565593254.db2.gz OPEHTHMRNHBEJB-UHFFFAOYSA-N 1 0 383.330 2.859 20 0 GFADRO O=C(Nc1ccc(C(F)(F)F)cc1Cl)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000667542188 565593354 /nfs/dbraw/zinc/59/33/54/565593354.db2.gz MSWHUGNQVGNWGZ-TVQRCGJNSA-N 1 0 375.778 2.508 20 0 GFADRO O=C(Nc1ccc(Cl)cc1C(F)(F)F)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000667541823 565593535 /nfs/dbraw/zinc/59/35/35/565593535.db2.gz BOZUXQUWIPIROZ-TVQRCGJNSA-N 1 0 375.778 2.508 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CN(C(=O)Nc2cc(F)c(Br)cc2Cl)CCO1 ZINC000667546827 565593705 /nfs/dbraw/zinc/59/37/05/565593705.db2.gz SKNMYGNDXMMHMN-JMCQJSRRSA-N 1 0 380.645 2.822 20 0 GFADRO CC[C@@H]1CN(C(=O)C(=O)Nc2nc(-c3ccc(C)s3)cs2)CC[C@@H]1[NH3+] ZINC000667550593 565594244 /nfs/dbraw/zinc/59/42/44/565594244.db2.gz POJHURMNSKGTEF-NEPJUHHUSA-N 1 0 378.523 2.704 20 0 GFADRO CC[C@H]1CN(C(=O)C(=O)Nc2ccc(Cl)c(Br)c2)CC[C@H]1[NH3+] ZINC000667549911 565594615 /nfs/dbraw/zinc/59/46/15/565594615.db2.gz AYLXQYXXFFGGSK-TVQRCGJNSA-N 1 0 388.693 2.627 20 0 GFADRO CN(CC1C[NH+](C)C1)C(=O)c1cc(Cl)ccc1I ZINC000598165856 565596900 /nfs/dbraw/zinc/59/69/00/565596900.db2.gz ZBNNTCPLZGAAAN-UHFFFAOYSA-N 1 0 378.641 2.578 20 0 GFADRO O=C(Nc1ccccc1Br)C(=O)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000667638787 565598504 /nfs/dbraw/zinc/59/85/04/565598504.db2.gz ZTODRQNCCFHQGP-KBPBESRZSA-N 1 0 394.313 2.626 20 0 GFADRO CC(=O)NC[C@H]1CCC[N@@H+]([C@@H]2CCc3cc(Br)ccc3NC2=O)C1 ZINC000625108404 565598846 /nfs/dbraw/zinc/59/88/46/565598846.db2.gz OMHJLUVWMRBDRA-CXAGYDPISA-N 1 0 394.313 2.551 20 0 GFADRO CC1CC[NH+](CC(=O)N2CC[C@H](Oc3cncc(Br)c3)C2)CC1 ZINC000646340705 565598845 /nfs/dbraw/zinc/59/88/45/565598845.db2.gz OCVWJAJKYUZRRB-HNNXBMFYSA-N 1 0 382.302 2.556 20 0 GFADRO O=C(NCC[N@@H+]1CCCOCC1)Nc1ccc(-c2ccc(Cl)s2)nn1 ZINC000667678028 565599145 /nfs/dbraw/zinc/59/91/45/565599145.db2.gz KEOLGNQTYJIHEG-UHFFFAOYSA-N 1 0 381.889 2.702 20 0 GFADRO Cc1cc(Br)c(Cl)cc1NC(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000667688543 565601888 /nfs/dbraw/zinc/60/18/88/565601888.db2.gz WMILKMNOMBXBDZ-CQSZACIVSA-N 1 0 376.682 2.599 20 0 GFADRO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)c1cncc(I)c1 ZINC000598260346 565605730 /nfs/dbraw/zinc/60/57/30/565605730.db2.gz AZRPQWDRYJJMAT-LBPRGKRZSA-N 1 0 387.265 2.536 20 0 GFADRO CCC[N@@H+]1CC[C@H](NC(=O)C2(c3ccc(I)cc3)CC2)C1 ZINC000598343411 565611138 /nfs/dbraw/zinc/61/11/38/565611138.db2.gz UMYHNPJOULCPSO-HNNXBMFYSA-N 1 0 398.288 2.923 20 0 GFADRO CN(C[C@H](O)C(F)(F)F)[C@@H]1CCc2cc(Br)ccc2NC1=O ZINC000625281812 565616165 /nfs/dbraw/zinc/61/61/65/565616165.db2.gz PEVYOAICPYSAEP-NEPJUHHUSA-N 1 0 381.192 2.557 20 0 GFADRO CC[NH+]1CCC(N(C)C(=O)c2cc(Br)cc3[nH]c(=O)[nH]c32)CC1 ZINC000667997772 565617473 /nfs/dbraw/zinc/61/74/73/565617473.db2.gz ABXMLOGZOZJKGI-UHFFFAOYSA-N 1 0 381.274 2.587 20 0 GFADRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)[C@@H]1CCN(c2cc(Cl)ccc2Cl)C1=O ZINC000646779242 565619169 /nfs/dbraw/zinc/61/91/69/565619169.db2.gz OBXBNVQXVPTELS-WHOFXGATSA-N 1 0 384.307 2.980 20 0 GFADRO CC[C@@H]1CN(C(=O)c2cccc(F)c2I)C[C@H](C)[NH2+]1 ZINC000598531042 565623917 /nfs/dbraw/zinc/62/39/17/565623917.db2.gz DYDXADXNXKYXHZ-VHSXEESVSA-N 1 0 376.213 2.643 20 0 GFADRO COCCc1ccc(OC[C@H](C)[NH2+]Cc2ccc(S(C)(=O)=O)s2)cc1 ZINC000668042818 565624152 /nfs/dbraw/zinc/62/41/52/565624152.db2.gz BYOZEYIHOYGLIL-AWEZNQCLSA-N 1 0 383.535 2.898 20 0 GFADRO C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCN(c4cc(Cl)ccc4Cl)C3=O)[C@@H]2C1 ZINC000646927298 565626397 /nfs/dbraw/zinc/62/63/97/565626397.db2.gz IFIPUQQGCKABAO-DETPVDSQSA-N 1 0 382.291 2.509 20 0 GFADRO Cc1sc2ncnc(SCCC(=O)N3CC[C@H]4C[N@@H+](C)C[C@H]43)c2c1C ZINC000646927372 565626717 /nfs/dbraw/zinc/62/67/17/565626717.db2.gz JGUNKVVEDRICLG-UONOGXRCSA-N 1 0 376.551 2.953 20 0 GFADRO C[N@@H+]1CCCC[C@H](CNS(=O)(=O)Cc2ccccc2Br)C1 ZINC000625425568 565629613 /nfs/dbraw/zinc/62/96/13/565629613.db2.gz QSUNHVKBNUQHGY-CYBMUJFWSA-N 1 0 375.332 2.600 20 0 GFADRO Cc1ccc(S(=O)(=O)NC[C@@H]2CCCC[N@@H+](C)C2)cc1Br ZINC000625423734 565630170 /nfs/dbraw/zinc/63/01/70/565630170.db2.gz YIGSJBICYAFFEI-ZDUSSCGKSA-N 1 0 375.332 2.768 20 0 GFADRO COC(=O)[C@H]1CN(c2nc3c(cccc3Br)s2)CC[N@H+](C)C1 ZINC000598629408 565630214 /nfs/dbraw/zinc/63/02/14/565630214.db2.gz JXUOONAYDVFMQE-SNVBAGLBSA-N 1 0 384.299 2.600 20 0 GFADRO COC(=O)[C@@H]1CN(c2nc3c(cccc3Br)s2)CC[N@H+](C)C1 ZINC000598629407 565630733 /nfs/dbraw/zinc/63/07/33/565630733.db2.gz JXUOONAYDVFMQE-JTQLQIEISA-N 1 0 384.299 2.600 20 0 GFADRO CC(C)[C@@H](NC(=O)c1ccccc1Br)C(=O)N1CCC(C)([NH3+])CC1 ZINC000646994520 565630895 /nfs/dbraw/zinc/63/08/95/565630895.db2.gz LFZNEJUGOOUIER-OAHLLOKOSA-N 1 0 396.329 2.543 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)N1CCC(C)([NH3+])CC1 ZINC000646991644 565631285 /nfs/dbraw/zinc/63/12/85/565631285.db2.gz IYJGKGDHLFBPNO-CQSZACIVSA-N 1 0 384.567 2.691 20 0 GFADRO COc1cc(Br)ccc1CCC[NH+]1CCN(Cc2cn[nH]c2)CC1 ZINC000625474463 565632223 /nfs/dbraw/zinc/63/22/23/565632223.db2.gz MVYJULBVNFGNQE-UHFFFAOYSA-N 1 0 393.329 2.931 20 0 GFADRO CC[C@@H]1CN(C(=O)Cc2csc(NC(=O)c3cccs3)n2)CC[C@H]1[NH3+] ZINC000647006533 565632321 /nfs/dbraw/zinc/63/23/21/565632321.db2.gz RPLDDBFOVAXMPB-DGCLKSJQSA-N 1 0 378.523 2.585 20 0 GFADRO [NH3+][C@]12CCC[C@H]1CN(C(=O)CCC[S@](=O)c1ccc(Br)cc1)C2 ZINC000598667835 565632622 /nfs/dbraw/zinc/63/26/22/565632622.db2.gz MYRDVRFHMJYFLE-DYALPIRYSA-N 1 0 399.354 2.677 20 0 GFADRO [NH3+][C@]12CCC[C@@H]1CN(C(=O)CCC[S@](=O)c1ccc(Br)cc1)C2 ZINC000598667838 565632925 /nfs/dbraw/zinc/63/29/25/565632925.db2.gz MYRDVRFHMJYFLE-ZZKQDXLVSA-N 1 0 399.354 2.677 20 0 GFADRO C[C@H](CC(=O)N(CCC[NH3+])Cc1ccccc1)n1cc(Br)cn1 ZINC000647023704 565633174 /nfs/dbraw/zinc/63/31/74/565633174.db2.gz ILGYVCXWJLNNEW-CQSZACIVSA-N 1 0 379.302 2.974 20 0 GFADRO O=C(CCNc1ncc(C(F)(F)F)cc1Cl)N[C@H]1CC12CC[NH2+]CC2 ZINC000647054992 565634664 /nfs/dbraw/zinc/63/46/64/565634664.db2.gz HBRLDGBZXAZIBB-LBPRGKRZSA-N 1 0 376.810 2.814 20 0 GFADRO COc1ccccc1[C@@H]([NH3+])CNS(=O)(=O)c1ccc(C)cc1Br ZINC000647186073 565644821 /nfs/dbraw/zinc/64/48/21/565644821.db2.gz AYQWRUKSKAFKJD-AWEZNQCLSA-N 1 0 399.310 2.744 20 0 GFADRO OC[C@H](C[NH2+]Cc1cc(OC(F)F)ccc1Br)[C@@H]1CCOC1 ZINC000647208610 565646353 /nfs/dbraw/zinc/64/63/53/565646353.db2.gz XWPRBWAGSFKKMZ-PWSUYJOCSA-N 1 0 380.229 2.785 20 0 GFADRO Cc1cc(Br)cc(S(=O)(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000647238344 565648124 /nfs/dbraw/zinc/64/81/24/565648124.db2.gz KUTKNTAKYJMUOQ-CZUORRHYSA-N 1 0 387.343 2.910 20 0 GFADRO O=S(=O)(c1ccc(C(F)(F)F)c(F)c1)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647238891 565648316 /nfs/dbraw/zinc/64/83/16/565648316.db2.gz XRYVTHNLVCJALX-ABAIWWIYSA-N 1 0 380.407 2.997 20 0 GFADRO COc1cc(Br)c(C[NH2+]CC(C)(C)[C@]2(O)CCOC2)c(OC)c1 ZINC000647246479 565648754 /nfs/dbraw/zinc/64/87/54/565648754.db2.gz HMMWOIHMYPIAEJ-KRWDZBQOSA-N 1 0 388.302 2.734 20 0 GFADRO O=S(=O)(Cc1ccc(Br)cc1Cl)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000647249969 565649472 /nfs/dbraw/zinc/64/94/72/565649472.db2.gz XJYPNUYKDWFQRZ-AWEZNQCLSA-N 1 0 393.734 2.618 20 0 GFADRO Cc1cc(Br)cc(S(=O)(=O)N2CCC3(CC[NH2+]CC3)CC2)c1 ZINC000647261978 565649520 /nfs/dbraw/zinc/64/95/20/565649520.db2.gz HKXFNAIPIRYCNN-UHFFFAOYSA-N 1 0 387.343 2.912 20 0 GFADRO CO[C@H](CS(=O)(=O)Nc1ccc(C[NH+](C)C)c(Cl)c1)C1CCOCC1 ZINC000647275369 565652688 /nfs/dbraw/zinc/65/26/88/565652688.db2.gz XNWKCWVPDSFCBY-QGZVFWFLSA-N 1 0 390.933 2.585 20 0 GFADRO CN(C)C(=O)CN(CC[NH+](C)C)Cc1oc2ccccc2c1Br ZINC000668557109 565653853 /nfs/dbraw/zinc/65/38/53/565653853.db2.gz CSZLRMWKTMSKTR-UHFFFAOYSA-N 1 0 382.302 2.647 20 0 GFADRO C[C@@H]1[NH2+]CCN(S(=O)(=O)Cc2ccc(Br)cc2Cl)[C@H]1C ZINC000647287096 565653922 /nfs/dbraw/zinc/65/39/22/565653922.db2.gz KPYHBBTXTLNEJO-UWVGGRQHSA-N 1 0 381.723 2.615 20 0 GFADRO C[C@@H](CCCC[NH3+])NS(=O)(=O)c1ccc2c(Br)cn(C)c2c1 ZINC000647302327 565654997 /nfs/dbraw/zinc/65/49/97/565654997.db2.gz QZWUQHMQPHBIFQ-NSHDSACASA-N 1 0 388.331 2.737 20 0 GFADRO COCCOC[C@H](O)C[N@@H+]1CC[C@H](Sc2ccc(Br)cc2)C1 ZINC000625699870 565655828 /nfs/dbraw/zinc/65/58/28/565655828.db2.gz IBCPSDSSJRGIBV-ZBFHGGJFSA-N 1 0 390.343 2.639 20 0 GFADRO O=S(=O)(c1ncccc1C(F)(F)F)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647309286 565656797 /nfs/dbraw/zinc/65/67/97/565656797.db2.gz IDSBZYZRKTYNJJ-OLZOCXBDSA-N 1 0 377.432 2.501 20 0 GFADRO C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CC(C)(C)[C@@]1(O)CCOC1 ZINC000647341134 565657764 /nfs/dbraw/zinc/65/77/64/565657764.db2.gz SNYVHBMKYVVRPL-SCLBCKFNSA-N 1 0 399.329 2.933 20 0 GFADRO [NH3+]C[C@H]1c2ccccc2CCN1S(=O)(=O)C1CCC(C(F)(F)F)CC1 ZINC000647337351 565658024 /nfs/dbraw/zinc/65/80/24/565658024.db2.gz OEAWMPIUMCRGLY-XUJLQICISA-N 1 0 376.444 2.995 20 0 GFADRO Cc1c(F)c(Br)ccc1C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000668639653 565658051 /nfs/dbraw/zinc/65/80/51/565658051.db2.gz KGSXMTOKFYLHFR-ZDUSSCGKSA-N 1 0 398.320 2.795 20 0 GFADRO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CCCc1ncn(C)n1 ZINC000647325418 565658316 /nfs/dbraw/zinc/65/83/16/565658316.db2.gz FUIXGUYCQNRLOA-GFCCVEGCSA-N 1 0 380.290 2.517 20 0 GFADRO Cc1nccn1CCC[NH2+][C@]1(CO)CCc2cc(Br)ccc2C1 ZINC000625796143 565661032 /nfs/dbraw/zinc/66/10/32/565661032.db2.gz GTZRUOMVAHCDIA-GOSISDBHSA-N 1 0 378.314 2.854 20 0 GFADRO Cc1c(F)c(Br)ccc1C(=O)NCCCN1CCC[N@@H+](C)CC1 ZINC000668698206 565661780 /nfs/dbraw/zinc/66/17/80/565661780.db2.gz WRLYXOAOVBFHAY-UHFFFAOYSA-N 1 0 386.309 2.654 20 0 GFADRO Cc1cc(Br)ccc1C(=O)N1CCC([NH2+]C2([C@H](C)O)CC2)CC1 ZINC000668699465 565662185 /nfs/dbraw/zinc/66/21/85/565662185.db2.gz OXIXLOASUQNRJI-ZDUSSCGKSA-N 1 0 381.314 2.865 20 0 GFADRO COc1cc(Br)c(C[NH2+]CC(C)(C)[C@@]2(O)CCCOC2)cc1O ZINC000668704718 565662329 /nfs/dbraw/zinc/66/23/29/565662329.db2.gz XJIGFCJXTMDIHB-QGZVFWFLSA-N 1 0 388.302 2.821 20 0 GFADRO [NH3+]CCCOCCNC(=O)Nc1ccc(Br)cc1Br ZINC000625832849 565662676 /nfs/dbraw/zinc/66/26/76/565662676.db2.gz QVJKIGJXFJDSBF-UHFFFAOYSA-N 1 0 395.095 2.699 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)c(C)c1C(=O)N1CCC([NH3+])CC1 ZINC000647603437 565664909 /nfs/dbraw/zinc/66/49/09/565664909.db2.gz YQMULRLNIKHQOP-UHFFFAOYSA-N 1 0 377.286 2.815 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC000599290853 565667052 /nfs/dbraw/zinc/66/70/52/565667052.db2.gz GOFWLNJPRWWRPK-OAHLLOKOSA-N 1 0 382.302 2.639 20 0 GFADRO Cc1cc(Br)ccc1[C@H]1CCC[N@@H+]1C[C@H](O)CN1CCOCC1 ZINC000626009626 565669822 /nfs/dbraw/zinc/66/98/22/565669822.db2.gz NJSRKIPEDZBOHH-SJLPKXTDSA-N 1 0 383.330 2.588 20 0 GFADRO COc1cc(Br)ccc1C(=O)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000647667699 565670714 /nfs/dbraw/zinc/67/07/14/565670714.db2.gz RYQUQAAIWSIULR-OAHLLOKOSA-N 1 0 397.313 2.785 20 0 GFADRO O=C(CSc1cc(Cl)ccc1Cl)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000647706226 565672201 /nfs/dbraw/zinc/67/22/01/565672201.db2.gz FTSBMYQDJNXSQD-QWHCGFSZSA-N 1 0 375.321 2.753 20 0 GFADRO C[N@@H+]1CC[C@H](CNC(=O)Cc2csc(COc3ccc(Cl)cc3)n2)C1 ZINC000599355934 565673028 /nfs/dbraw/zinc/67/30/28/565673028.db2.gz CNYQANZKVSTITM-CYBMUJFWSA-N 1 0 379.913 2.986 20 0 GFADRO COC(=O)c1scc(C)c1S(=O)(=O)NC[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000599389804 565674460 /nfs/dbraw/zinc/67/44/60/565674460.db2.gz BLAAERMYJJXRIR-AWEZNQCLSA-N 1 0 386.539 2.528 20 0 GFADRO C[C@]12CCCC[C@H]1C[N@@H+]2CC(=O)NCC(=O)Nc1ccccc1Br ZINC000626104320 565675550 /nfs/dbraw/zinc/67/55/50/565675550.db2.gz MTFJQTNUFMJLGA-UGSOOPFHSA-N 1 0 394.313 2.768 20 0 GFADRO CCC(O)(CC)C[N@H+](C)C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000626111251 565676598 /nfs/dbraw/zinc/67/65/98/565676598.db2.gz IWPMGRLWMZRAGX-AWEZNQCLSA-N 1 0 378.282 2.811 20 0 GFADRO CC(=O)NC[C@H]1CCCC[N@@H+]1C[C@H](O)COc1c(Cl)cccc1Cl ZINC000626154431 565680086 /nfs/dbraw/zinc/68/00/86/565680086.db2.gz OKVQSNQTMWGBJH-KGLIPLIRSA-N 1 0 375.296 2.724 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CN([C@@H](C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)CCO1 ZINC000647861626 565681435 /nfs/dbraw/zinc/68/14/35/565681435.db2.gz DHKXWUZQKSRWJV-BHDSKKPTSA-N 1 0 379.810 2.734 20 0 GFADRO C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)C2([NH+](C)C)CC2)CC1 ZINC000669235246 565682623 /nfs/dbraw/zinc/68/26/23/565682623.db2.gz RBAUDCFCQSWWDM-AWEZNQCLSA-N 1 0 380.330 2.749 20 0 GFADRO CCN(C(=O)C(=O)NCCCc1ccc(Cl)cc1Cl)[C@@H]1CC[N@H+](C)C1 ZINC000669281339 565683968 /nfs/dbraw/zinc/68/39/68/565683968.db2.gz MBNKYGWEJUYHDJ-OAHLLOKOSA-N 1 0 386.323 2.595 20 0 GFADRO Cc1cc(Br)c(F)c(C(=O)Nc2ccc(=O)n(CC[NH+](C)C)c2)c1 ZINC000626267838 565686177 /nfs/dbraw/zinc/68/61/77/565686177.db2.gz WVSTUIIHIRKHEC-UHFFFAOYSA-N 1 0 396.260 2.872 20 0 GFADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc(Br)cc3c2OCCO3)C1 ZINC000669363453 565686178 /nfs/dbraw/zinc/68/61/78/565686178.db2.gz LXGVHZNWQTXZQA-LBPRGKRZSA-N 1 0 383.286 2.634 20 0 GFADRO C[N@@H+]1CCC[C@@H](NC(=O)Nc2nnc(COc3ccc(Cl)cc3)s2)C1 ZINC000669415432 565688324 /nfs/dbraw/zinc/68/83/24/565688324.db2.gz LCUFLCZOXJJQBG-GFCCVEGCSA-N 1 0 381.889 2.986 20 0 GFADRO C[C@@H](C(=O)Nc1cccc(I)c1)[N@H+](C)CC1(C)COC1 ZINC000599571987 565689812 /nfs/dbraw/zinc/68/98/12/565689812.db2.gz ZOBAQRITEOHUDV-NSHDSACASA-N 1 0 388.249 2.587 20 0 GFADRO C[NH+]1CCC2(CC1)CN(Cc1cc(Br)cc3c1OCC3)CCO2 ZINC000648072278 565689766 /nfs/dbraw/zinc/68/97/66/565689766.db2.gz VFXBXHLXGHFUPW-UHFFFAOYSA-N 1 0 381.314 2.681 20 0 GFADRO CCCN(Cc1cn(-c2ccccc2Br)nn1)[C@H]1CC[N@H+](C)C1 ZINC000648056349 565689800 /nfs/dbraw/zinc/68/98/00/565689800.db2.gz DPMZURVSXOAETG-HNNXBMFYSA-N 1 0 378.318 2.946 20 0 GFADRO COc1cc(Br)ccc1CCCNC(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000669557524 565692033 /nfs/dbraw/zinc/69/20/33/565692033.db2.gz SUJBIMXTIBGTTA-CZUORRHYSA-N 1 0 396.329 2.784 20 0 GFADRO CO[C@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)NC[C@H]1CCCC[NH2+]1 ZINC000669551725 565692091 /nfs/dbraw/zinc/69/20/91/565692091.db2.gz GSUPTKDMFZRNEZ-WQVCFCJDSA-N 1 0 384.318 2.966 20 0 GFADRO O=C(N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000669553681 565692551 /nfs/dbraw/zinc/69/25/51/565692551.db2.gz OWCZEJJNEAPHLZ-XNJGSVPQSA-N 1 0 383.323 2.966 20 0 GFADRO O=C([C@H]1C[NH2+]CCO1)N(Cc1ccc(Cl)c(Cl)c1)Cc1ccccn1 ZINC000648151628 565692620 /nfs/dbraw/zinc/69/26/20/565692620.db2.gz YLZVPOWQKFFSTK-QGZVFWFLSA-N 1 0 380.275 2.906 20 0 GFADRO COC(=O)c1cc(Br)ccc1NC(=O)N1CC[NH2+]C[C@@H]1C(C)C ZINC000599602604 565692807 /nfs/dbraw/zinc/69/28/07/565692807.db2.gz MRFMBQQGEYCNOE-CQSZACIVSA-N 1 0 384.274 2.697 20 0 GFADRO COc1cc(Br)ccc1CNC(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000669565636 565693119 /nfs/dbraw/zinc/69/31/19/565693119.db2.gz MEEYGDBGRDMWFS-NJZAAPMLSA-N 1 0 382.302 2.645 20 0 GFADRO CC(C)CNC(=O)NC(=O)C[NH2+][C@H](CN(C)C)c1ccc(Cl)c(Cl)c1 ZINC000599625959 565693360 /nfs/dbraw/zinc/69/33/60/565693360.db2.gz BSDCMORCMKEGNX-OAHLLOKOSA-N 1 0 389.327 2.668 20 0 GFADRO Cc1cc(Br)cc(C)c1N1CCC[C@@H](NC(=O)NCC2C[NH2+]C2)C1 ZINC000669584736 565694420 /nfs/dbraw/zinc/69/44/20/565694420.db2.gz RUAWHUCVMVTMFS-MRXNPFEDSA-N 1 0 395.345 2.553 20 0 GFADRO CS(=O)(=O)NC[C@@H]1CCC[C@@H]1[NH2+]Cc1c(Cl)cccc1OC(F)F ZINC000669686539 565698868 /nfs/dbraw/zinc/69/88/68/565698868.db2.gz NAOKWTUZMQSFFO-GWCFXTLKSA-N 1 0 382.860 2.749 20 0 GFADRO CC[N@@H+](Cc1cc(Br)ccc1O[C@@H](C)C(=O)NC)C[C@@H]1CCOC1 ZINC000648359267 565706665 /nfs/dbraw/zinc/70/66/65/565706665.db2.gz PYARSCZQSSRHAI-KBPBESRZSA-N 1 0 399.329 2.821 20 0 GFADRO [NH3+]C1(CNC(=O)NCC2(c3ccc(Br)cc3)CCC2)CCOCC1 ZINC000626945885 565716007 /nfs/dbraw/zinc/71/60/07/565716007.db2.gz NSKSUCTYEUJERP-UHFFFAOYSA-N 1 0 396.329 2.678 20 0 GFADRO C[NH2+]CCOCCN(C)C(=O)NCC(C)(C)c1cccc(Br)c1 ZINC000626963785 565716954 /nfs/dbraw/zinc/71/69/54/565716954.db2.gz CDLRHFTUSVUJDY-UHFFFAOYSA-N 1 0 386.334 2.604 20 0 GFADRO [NH3+]C1(CNC(=O)NCc2cc(Cl)cc(Cl)c2OC(F)F)CCOCC1 ZINC000626997769 565719015 /nfs/dbraw/zinc/71/90/15/565719015.db2.gz JTXQNQDCOCGTOB-UHFFFAOYSA-N 1 0 398.237 2.902 20 0 GFADRO COc1ncc(Br)cc1CNC(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000627074116 565720465 /nfs/dbraw/zinc/72/04/65/565720465.db2.gz GJPVSVRRKIADEG-CQSZACIVSA-N 1 0 385.306 2.560 20 0 GFADRO O=C(c1ccc(F)cc1Br)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000670390374 565721365 /nfs/dbraw/zinc/72/13/65/565721365.db2.gz FXDUXUCFDMBBIS-CQSZACIVSA-N 1 0 385.277 2.915 20 0 GFADRO O=C(c1cc(F)cc(Br)c1)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000670392571 565721540 /nfs/dbraw/zinc/72/15/40/565721540.db2.gz CUFNFNSLIOCQIJ-INIZCTEOSA-N 1 0 385.277 2.915 20 0 GFADRO CC1(CNC(=O)NCc2ccc(Br)c(F)c2F)CC[NH2+]CC1 ZINC000627084852 565722055 /nfs/dbraw/zinc/72/20/55/565722055.db2.gz YMBGGHGUPBDHIV-UHFFFAOYSA-N 1 0 376.245 2.916 20 0 GFADRO CC[C@@H](Cc1ccc(Br)cc1)NC(=O)NCC1([NH3+])CCOCC1 ZINC000627118385 565722270 /nfs/dbraw/zinc/72/22/70/565722270.db2.gz ZHNWBPBEMNDRMA-HNNXBMFYSA-N 1 0 384.318 2.577 20 0 GFADRO C[N@@H+]1CCCC[C@H](CNC(=O)Cc2ccc(I)cc2)C1 ZINC000600315880 565723591 /nfs/dbraw/zinc/72/35/91/565723591.db2.gz WOOLSMRQJJORLZ-CQSZACIVSA-N 1 0 386.277 2.682 20 0 GFADRO Cn1nc2cc(Br)ccc2c1C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000648722458 565723911 /nfs/dbraw/zinc/72/39/11/565723911.db2.gz WFOZYTBZKMTXLJ-UHFFFAOYSA-N 1 0 377.286 2.692 20 0 GFADRO C[NH2+]CCOCCNC(=O)N(C)C[C@H](C)Oc1ccc(Cl)c(Cl)c1 ZINC000627173648 565724526 /nfs/dbraw/zinc/72/45/26/565724526.db2.gz DUSPMTGLZQNENX-LBPRGKRZSA-N 1 0 378.300 2.638 20 0 GFADRO C[C@@H]1CCC[N@H+](CCNC(=O)c2c3ccc(Br)cc3nn2C)C1 ZINC000648735370 565725034 /nfs/dbraw/zinc/72/50/34/565725034.db2.gz MSOUDUZAWONKTQ-GFCCVEGCSA-N 1 0 379.302 2.798 20 0 GFADRO C[C@@H]1CCN(C(=O)NCc2cc(F)c(Br)cc2F)[C@H](C[NH3+])C1 ZINC000627180428 565725121 /nfs/dbraw/zinc/72/51/21/565725121.db2.gz AYBFEXWJSLQFBN-KOLCDFICSA-N 1 0 376.245 2.996 20 0 GFADRO C[C@H](CC(=O)NCc1cccc(C[NH+](C)C)c1)n1cc(Br)cn1 ZINC000648724983 565725183 /nfs/dbraw/zinc/72/51/83/565725183.db2.gz VHSZGZZUCJIPRW-CYBMUJFWSA-N 1 0 379.302 2.975 20 0 GFADRO CC(C)[C@](C)(NC(=O)NC[C@@H]1COCC[NH2+]1)c1ccc(Br)cc1 ZINC000627188132 565726031 /nfs/dbraw/zinc/72/60/31/565726031.db2.gz MCZXDXLSYQAWGU-WBVHZDCISA-N 1 0 384.318 2.608 20 0 GFADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)c1cc2c(cncc2Br)s1 ZINC000648770051 565727234 /nfs/dbraw/zinc/72/72/34/565727234.db2.gz RWZCQLIILRNUQX-NSHDSACASA-N 1 0 398.326 2.899 20 0 GFADRO C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)N[C@@H]2CC[NH2+][C@H]2C)CC1 ZINC000627240700 565727539 /nfs/dbraw/zinc/72/75/39/565727539.db2.gz WBEJKCQNIDJYNE-JJRVBVJISA-N 1 0 395.345 2.588 20 0 GFADRO C[C@H](CC(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1)n1cc(Br)cn1 ZINC000648797600 565729793 /nfs/dbraw/zinc/72/97/93/565729793.db2.gz YANSUTWYNUSGOK-CABCVRRESA-N 1 0 383.334 2.931 20 0 GFADRO Cc1cc(Br)c(C(=O)N2CC[C@@H]([N@@H+]3CC[C@@H](O)C3)C2)cc1Cl ZINC000627267032 565729984 /nfs/dbraw/zinc/72/99/84/565729984.db2.gz ITAQRJQSWZEEFH-VXGBXAGGSA-N 1 0 387.705 2.692 20 0 GFADRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2c3ccc(Br)cc3nn2C)C1 ZINC000648802762 565730954 /nfs/dbraw/zinc/73/09/54/565730954.db2.gz IOTWYIZNNZXJLE-GFCCVEGCSA-N 1 0 379.302 2.750 20 0 GFADRO CC[NH+](CC)[C@@H]1CCN(C(=O)c2c3ccc(Br)cc3nn2C)C1 ZINC000648802729 565731415 /nfs/dbraw/zinc/73/14/15/565731415.db2.gz GUMFNXMIINCHNC-CYBMUJFWSA-N 1 0 379.302 2.892 20 0 GFADRO CCC(=O)N1CCC([NH2+]C[C@H](CO)Cc2cccc(Br)c2C)CC1 ZINC000648815246 565731977 /nfs/dbraw/zinc/73/19/77/565731977.db2.gz TYARZDZZWPMRKV-OAHLLOKOSA-N 1 0 397.357 2.899 20 0 GFADRO C[NH+](C)CCn1nccc1NC(=O)[C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21 ZINC000627543753 565739270 /nfs/dbraw/zinc/73/92/70/565739270.db2.gz TXEILKKCHMZEGU-XOKHGSTOSA-N 1 0 389.297 2.732 20 0 GFADRO CN(Cc1ccccc1Br)C(=O)C[NH2+][C@](C)(CO)c1ccccc1 ZINC000600644112 565739794 /nfs/dbraw/zinc/73/97/94/565739794.db2.gz FNYNTWUMTIBZQR-LJQANCHMSA-N 1 0 391.309 2.905 20 0 GFADRO CCCOc1c(Br)cc(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)cc1OC ZINC000627644917 565745025 /nfs/dbraw/zinc/74/50/25/565745025.db2.gz JRKOLDCIDUOLQG-VIKVFOODSA-N 1 0 397.313 2.879 20 0 GFADRO C[NH+](C)[C@@H]1[C@H]2CN(C(=O)c3c(F)c(F)c(Br)c(F)c3F)C[C@H]21 ZINC000627656004 565745111 /nfs/dbraw/zinc/74/51/11/565745111.db2.gz POJQOZIQDDFTJJ-QDMUOKQXSA-N 1 0 381.167 2.638 20 0 GFADRO Cc1[nH]c2ccc(Br)cc2c1CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000627648144 565745369 /nfs/dbraw/zinc/74/53/69/565745369.db2.gz ZHNZZQVJSDGFEZ-HWWDLCQESA-N 1 0 376.298 2.800 20 0 GFADRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)c1c[nH]cc1-c1ccc(Cl)s1 ZINC000649076985 565746202 /nfs/dbraw/zinc/74/62/02/565746202.db2.gz IBCQLMDZDDLSLR-NSHDSACASA-N 1 0 380.901 2.589 20 0 GFADRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000649072756 565746523 /nfs/dbraw/zinc/74/65/23/565746523.db2.gz IINFIIFHBJVQNT-SNVBAGLBSA-N 1 0 377.794 2.551 20 0 GFADRO COc1ccc(C(=O)N2CCC([N@@H+]3CCCOCC3)CC2)c(Br)c1 ZINC000627739765 565748887 /nfs/dbraw/zinc/74/88/87/565748887.db2.gz PTPMMZQFYUNUMR-UHFFFAOYSA-N 1 0 397.313 2.785 20 0 GFADRO Cc1nc(C(=O)N2CCC([N@@H+]3CCCOCC3)CC2)c(Br)s1 ZINC000627741740 565749743 /nfs/dbraw/zinc/74/97/43/565749743.db2.gz TVXTZTLTNWVNCV-UHFFFAOYSA-N 1 0 388.331 2.541 20 0 GFADRO C[NH+]1CCC2(CC1)CN(C(=O)CCc1cccc(Br)c1)CCO2 ZINC000649136114 565750673 /nfs/dbraw/zinc/75/06/73/565750673.db2.gz WPDSZRHXAIZQSS-UHFFFAOYSA-N 1 0 381.314 2.705 20 0 GFADRO CN(Cc1c(Cl)cccc1Cl)C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000671105455 565751873 /nfs/dbraw/zinc/75/18/73/565751873.db2.gz XJILPTRCTYWWFX-CHWSQXEVSA-N 1 0 384.307 2.695 20 0 GFADRO Cc1cc(I)ccc1NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC000600889104 565754395 /nfs/dbraw/zinc/75/43/95/565754395.db2.gz OHFWIPUPSYPRLB-UHFFFAOYSA-N 1 0 398.248 2.610 20 0 GFADRO O=S(=O)(N[C@H]1CC[N@H+](CC2CC2)C1)c1cccc(Br)c1Cl ZINC000671171887 565755564 /nfs/dbraw/zinc/75/55/64/565755564.db2.gz AAWWOOJIFUEVTH-NSHDSACASA-N 1 0 393.734 2.865 20 0 GFADRO CNS(=O)(=O)Cc1ccc(C[NH2+][C@H](C)c2cnc(OC)c(Cl)c2)cc1 ZINC000671295276 565760753 /nfs/dbraw/zinc/76/07/53/565760753.db2.gz UKAFRUKMSMUGIS-GFCCVEGCSA-N 1 0 383.901 2.644 20 0 GFADRO O=C(NC[C@H]1CC[N@@H+]1C1CCCC1)C(=O)Nc1c(F)cccc1Br ZINC000627906948 565761225 /nfs/dbraw/zinc/76/12/25/565761225.db2.gz KGQNASKTBZSSEU-GFCCVEGCSA-N 1 0 398.276 2.660 20 0 GFADRO COCC[N@H+](Cc1cccs1)Cc1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000649476145 565761550 /nfs/dbraw/zinc/76/15/50/565761550.db2.gz XXNWULCGVFSLMJ-UHFFFAOYSA-N 1 0 380.535 2.837 20 0 GFADRO O[C@@H]1CCC[C@@H]1[NH+]1CCN(Cc2cc(Br)cc(F)c2F)CC1 ZINC000649507837 565762519 /nfs/dbraw/zinc/76/25/19/565762519.db2.gz CVJIBXKVLDBTCH-LSDHHAIUSA-N 1 0 375.257 2.758 20 0 GFADRO O=C(c1cc(-c2ccc(Cl)cc2Cl)on1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000628019471 565768747 /nfs/dbraw/zinc/76/87/47/565768747.db2.gz DWQVDHGDBZEBLV-NWDGAFQWSA-N 1 0 382.247 2.539 20 0 GFADRO CC(C)O[C@@H]1CCC[N@H+](Cc2cc(=O)n3cc(Br)ccc3n2)C1 ZINC000649701724 565773743 /nfs/dbraw/zinc/77/37/43/565773743.db2.gz LBSCLRCUQPVDBI-OAHLLOKOSA-N 1 0 380.286 2.846 20 0 GFADRO C[C@H](Oc1ccccc1Br)C(=O)N1CCC([NH+]2CCOCC2)CC1 ZINC000628125956 565774313 /nfs/dbraw/zinc/77/43/13/565774313.db2.gz WCVDNKZMEMUYIV-AWEZNQCLSA-N 1 0 397.313 2.540 20 0 GFADRO O=c1cc(C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)nc2ccc(Br)cn12 ZINC000649974959 565790430 /nfs/dbraw/zinc/79/04/30/565790430.db2.gz MBCCWFLOVWIVEK-IAOVAPTHSA-N 1 0 390.281 2.504 20 0 GFADRO O=C(Nc1cc(Cl)ccc1I)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000601568144 565792544 /nfs/dbraw/zinc/79/25/44/565792544.db2.gz WZEHGHGKMDSDCU-AOOOYVTPSA-N 1 0 391.640 2.913 20 0 GFADRO CCC(C)(C)[NH2+][C@@H](C)C(=O)N[C@]1(CO)CCc2cc(Br)ccc2C1 ZINC000628682673 565802949 /nfs/dbraw/zinc/80/29/49/565802949.db2.gz PPDSEMIOEFUEGF-ORAYPTAESA-N 1 0 397.357 2.952 20 0 GFADRO O=S(=O)(Cc1cccc(Br)c1)NCCC[NH+]1CCCCC1 ZINC000672375167 565803584 /nfs/dbraw/zinc/80/35/84/565803584.db2.gz NSLNSAZIJPTVCT-UHFFFAOYSA-N 1 0 375.332 2.745 20 0 GFADRO O[C@H](COc1ccc(Cl)c(Cl)c1)C[N@@H+]1CC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000650202964 565805938 /nfs/dbraw/zinc/80/59/38/565805938.db2.gz NUXKESNBJUPOSC-BFVZDQMLSA-N 1 0 388.213 2.978 20 0 GFADRO CC[C@H]1CC[C@@H]1[NH2+]CCCNS(=O)(=O)c1ccccc1Br ZINC000672613405 565813040 /nfs/dbraw/zinc/81/30/40/565813040.db2.gz OQQFFCKRZGPVRV-JSGCOSHPSA-N 1 0 375.332 2.896 20 0 GFADRO CSc1ccccc1S(=O)(=O)N1C[C@H](C[NH+](C)C)Oc2ccccc21 ZINC000672789590 565816459 /nfs/dbraw/zinc/81/64/59/565816459.db2.gz MERPQZJAOKWBFF-AWEZNQCLSA-N 1 0 378.519 2.926 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc4[nH]cc(I)c4c3)C[C@@H]21 ZINC000602159604 565826474 /nfs/dbraw/zinc/82/64/74/565826474.db2.gz JZOHKTNKUTXSLK-ABAIWWIYSA-N 1 0 395.244 2.549 20 0 GFADRO O=C(Cc1ccc(Br)c(Cl)c1)NC[C@@H]1CCCC[N@H+]1CCO ZINC000650594790 565828461 /nfs/dbraw/zinc/82/84/61/565828461.db2.gz HMEIPDBIHUKRHV-ZDUSSCGKSA-N 1 0 389.721 2.608 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)N1CCO[C@H](C(F)(F)F)C1)c1ccc(Cl)cc1 ZINC000673780733 565845108 /nfs/dbraw/zinc/84/51/08/565845108.db2.gz ANBUJKGXVWKEGI-KBPBESRZSA-N 1 0 379.810 2.915 20 0 GFADRO Cc1cc(C(=O)N[C@@H]2CCC[NH2+]C2)c(I)cc1Cl ZINC000602424925 565847865 /nfs/dbraw/zinc/84/78/65/565847865.db2.gz NDDBBKICSRPOHW-SECBINFHSA-N 1 0 378.641 2.735 20 0 GFADRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)[C@H]1CCOc2ccc(Br)cc21 ZINC000651158048 565848771 /nfs/dbraw/zinc/84/87/71/565848771.db2.gz HSCBVYRTRKLPLI-WFASDCNBSA-N 1 0 379.298 2.916 20 0 GFADRO CCOC(=O)c1sc2ccsc2c1CNC(=O)[C@@]1(C)C[C@H](OC)C[NH2+]1 ZINC000602453868 565848814 /nfs/dbraw/zinc/84/88/14/565848814.db2.gz JZMWIMJBGGXVMQ-DYZYQPBXSA-N 1 0 382.507 2.523 20 0 GFADRO CCC1([NH+]2CCOCC2)CCN(C(=O)c2scnc2C(F)(F)F)CC1 ZINC000629414579 565850523 /nfs/dbraw/zinc/85/05/23/565850523.db2.gz CUTCAVIAPQWRGD-UHFFFAOYSA-N 1 0 377.432 2.879 20 0 GFADRO C[NH+](C)CCn1cc(NC(=O)NCCCc2cccc(Br)c2)cn1 ZINC000673870351 565851817 /nfs/dbraw/zinc/85/18/17/565851817.db2.gz ZGWXORVZLPCXLV-UHFFFAOYSA-N 1 0 394.317 2.962 20 0 GFADRO O=C(CC[NH2+]Cc1ccc(I)s1)N1CCCCC1 ZINC000602522502 565852340 /nfs/dbraw/zinc/85/23/40/565852340.db2.gz WQLBVCRIOJFUDW-UHFFFAOYSA-N 1 0 378.279 2.845 20 0 GFADRO C[N@@H+]1CCCN(CCCNC(=O)CCc2ccc(Br)cc2)CC1 ZINC000673991401 565854888 /nfs/dbraw/zinc/85/48/88/565854888.db2.gz MBVUXKXQVGHTCX-UHFFFAOYSA-N 1 0 382.346 2.526 20 0 GFADRO [NH3+]CC12CCC(CC1)CN2[C@@H]1CCc2cc(Br)ccc2NC1=O ZINC000629548941 565858066 /nfs/dbraw/zinc/85/80/66/565858066.db2.gz OZMLJXHCMUFEPZ-OKZIQPOMSA-N 1 0 378.314 2.906 20 0 GFADRO [NH3+]C[C@@H]1CN(CC(=O)Nc2ccc(Br)cc2)CC[C@H]1C(F)(F)F ZINC000629564497 565859633 /nfs/dbraw/zinc/85/96/33/565859633.db2.gz LNQPPJKNOHAMST-ZWNOBZJWSA-N 1 0 394.235 2.847 20 0 GFADRO CO[C@H](C[NH2+]Cc1ccc(I)c(C)c1)[C@H]1CCOC1 ZINC000602646220 565859906 /nfs/dbraw/zinc/85/99/06/565859906.db2.gz AXTGREOWBBQUKH-DZGCQCFKSA-N 1 0 375.250 2.741 20 0 GFADRO CC(C)C[N@H+](C)CCCNc1c(F)cc(S(N)(=O)=O)cc1Br ZINC000651363120 565861152 /nfs/dbraw/zinc/86/11/52/565861152.db2.gz OVRYHAKBIFTCHB-UHFFFAOYSA-N 1 0 396.326 2.625 20 0 GFADRO COc1ncc(Br)cc1C[NH2+]C[C@H](O)COCc1ccccc1F ZINC000629594006 565861699 /nfs/dbraw/zinc/86/16/99/565861699.db2.gz YWXVTSBJQLBLRM-HNNXBMFYSA-N 1 0 399.260 2.659 20 0 GFADRO OC1CCN(CC[NH2+][C@H](c2ccc(Br)cc2)[C@H]2CCCO2)CC1 ZINC000651465103 565864548 /nfs/dbraw/zinc/86/45/48/565864548.db2.gz KETGQKLCQADKOB-QZTJIDSGSA-N 1 0 383.330 2.716 20 0 GFADRO CCOC(=O)[C@]1(C)CCC[C@@H]1[NH2+]Cc1cnn2cc(Br)cnc12 ZINC000602723020 565864949 /nfs/dbraw/zinc/86/49/49/565864949.db2.gz PRQGDFWSRFJMHT-XJKSGUPXSA-N 1 0 381.274 2.703 20 0 GFADRO O=C1[C@H]([NH2+]Cc2ccc(I)s2)CCN1C1CCC1 ZINC000602730563 565866468 /nfs/dbraw/zinc/86/64/68/565866468.db2.gz PYPLGZOLUHCGTQ-LLVKDONJSA-N 1 0 376.263 2.596 20 0 GFADRO COC1CC[NH+](CCNC(=O)[C@H]2C[C@@H]2c2ccc(Br)cc2)CC1 ZINC000674311753 565867652 /nfs/dbraw/zinc/86/76/52/565867652.db2.gz PWOZHGRDIXFHPT-SJORKVTESA-N 1 0 381.314 2.780 20 0 GFADRO COC1CC[NH+](CCNC(=O)N[C@@H]2COc3c2ccc(Cl)c3Cl)CC1 ZINC000674333610 565868693 /nfs/dbraw/zinc/86/86/93/565868693.db2.gz ZNSHPECXFWILAY-CQSZACIVSA-N 1 0 388.295 2.837 20 0 GFADRO COCC1(CS(=O)(=O)NCC2CC[NH+](Cc3cccs3)CC2)CCC1 ZINC000651541840 565869748 /nfs/dbraw/zinc/86/97/48/565869748.db2.gz KGTRDOAMCKPXRO-UHFFFAOYSA-N 1 0 386.583 2.696 20 0 GFADRO C[NH+](C)C1(CNS(=O)(=O)Cc2cc(Cl)sc2Cl)CCOCC1 ZINC000651560648 565873012 /nfs/dbraw/zinc/87/30/12/565873012.db2.gz HCTKLHBGMGYFIM-UHFFFAOYSA-N 1 0 387.354 2.585 20 0 GFADRO CS(=O)(=O)N1CCC[C@H](C[NH+]2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)C1 ZINC000674749891 565882397 /nfs/dbraw/zinc/88/23/97/565882397.db2.gz AZMBQVGCZYRIOB-WOPDTQHZSA-N 1 0 396.397 2.721 20 0 GFADRO [NH3+]CCSCc1cn(Cc2csc(COc3ccc(F)cc3)n2)nn1 ZINC000603185807 565889247 /nfs/dbraw/zinc/88/92/47/565889247.db2.gz NKKUKAKALSPKMC-UHFFFAOYSA-N 1 0 379.486 2.693 20 0 GFADRO CC(=O)Nc1ccc(S(=O)(=O)NCCC[N@@H+](C)CC(C)C)cc1Cl ZINC000651768926 565892613 /nfs/dbraw/zinc/89/26/13/565892613.db2.gz JGBQFJACGRDRNA-UHFFFAOYSA-N 1 0 375.922 2.555 20 0 GFADRO CCOC(=O)c1nc(N2CCC[C@H]3C[N@H+](C)CC[C@H]32)ccc1Br ZINC000603317239 565898148 /nfs/dbraw/zinc/89/81/48/565898148.db2.gz GTIQOHAPYAEJMU-GXTWGEPZSA-N 1 0 382.302 2.941 20 0 GFADRO CC(C)C[N@H+](C)CCCNC(=O)C(=O)Nc1ccc(Br)cc1F ZINC000651905137 565902795 /nfs/dbraw/zinc/90/27/95/565902795.db2.gz ZFBSCSUFIGRYFQ-UHFFFAOYSA-N 1 0 388.281 2.621 20 0 GFADRO CC(C)(O)C[NH+]1CCN(C(=O)CCCc2cccc(Br)c2)CC1 ZINC000675457844 565903845 /nfs/dbraw/zinc/90/38/45/565903845.db2.gz XGQMHWMLVKYNEH-UHFFFAOYSA-N 1 0 383.330 2.687 20 0 GFADRO Brc1ccc2ncnc(N3CCC(CO[C@@H]4CC[NH2+]C4)CC3)c2c1 ZINC000630544148 565908957 /nfs/dbraw/zinc/90/89/57/565908957.db2.gz FXXBSTVTJRPYNC-OAHLLOKOSA-N 1 0 391.313 2.987 20 0 GFADRO Brc1ccc2ncnc(N3CCC(CO[C@H]4CC[NH2+]C4)CC3)c2c1 ZINC000630544145 565909096 /nfs/dbraw/zinc/90/90/96/565909096.db2.gz FXXBSTVTJRPYNC-HNNXBMFYSA-N 1 0 391.313 2.987 20 0 GFADRO COCC[N@@H+]1CCN(Cc2cnc3ccc(Br)cn23)C(C)(C)C1 ZINC000652035845 565912059 /nfs/dbraw/zinc/91/20/59/565912059.db2.gz JZKJKVIGSUTEGQ-UHFFFAOYSA-N 1 0 381.318 2.639 20 0 GFADRO O[C@@]1(CC[NH2+]Cc2ncc(Br)cc2Br)CCCOC1 ZINC000652040902 565913553 /nfs/dbraw/zinc/91/35/53/565913553.db2.gz OTGVJEXOYCZVDO-CYBMUJFWSA-N 1 0 394.107 2.628 20 0 GFADRO CC(C)(C[NH2+][C@@H]1CCN(c2ccccc2Br)C1)N1CCOCC1 ZINC000675726940 565913710 /nfs/dbraw/zinc/91/37/10/565913710.db2.gz HDNCTQQRERDJGM-OAHLLOKOSA-N 1 0 382.346 2.728 20 0 GFADRO O=C(CC(F)(F)F)N1CCC([NH2+]Cc2ccc(Br)cn2)CC1 ZINC000603724010 565914708 /nfs/dbraw/zinc/91/47/08/565914708.db2.gz TWOPNMDUWWKCAE-UHFFFAOYSA-N 1 0 380.208 2.877 20 0 GFADRO CC[C@@H]([NH2+]CCN1CCN(S(C)(=O)=O)CC1)c1ccc(Cl)c(Cl)c1 ZINC000675817180 565916315 /nfs/dbraw/zinc/91/63/15/565916315.db2.gz MMPXSFAOVVLHCN-MRXNPFEDSA-N 1 0 394.368 2.611 20 0 GFADRO O=C(NC1CC[NH+](Cc2ccncc2)CC1)c1c(F)cncc1Br ZINC000630773721 565919645 /nfs/dbraw/zinc/91/96/45/565919645.db2.gz SUKICWRDKWISMW-UHFFFAOYSA-N 1 0 393.260 2.773 20 0 GFADRO Cc1c([C@@H](C)[NH2+]CC[C@]2(O)CCOC2)nnn1-c1cccc(Br)c1 ZINC000652264399 565920653 /nfs/dbraw/zinc/92/06/53/565920653.db2.gz JGYPGHOQEOOKAY-PXAZEXFGSA-N 1 0 395.301 2.530 20 0 GFADRO C[NH+](C)CCn1cc(C(=O)Nc2nnc(-c3ccccc3Cl)s2)cn1 ZINC000630810810 565921538 /nfs/dbraw/zinc/92/15/38/565921538.db2.gz IMTDBEOMVQAEDM-UHFFFAOYSA-N 1 0 376.873 2.869 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)C(=O)N(C)CC[NH+]1CCCCC1 ZINC000652294022 565921670 /nfs/dbraw/zinc/92/16/70/565921670.db2.gz KYCPAUQERBAJNZ-UHFFFAOYSA-N 1 0 382.302 2.640 20 0 GFADRO O=C(NCCC1CC[NH2+]CC1)N1CCOc2ccc(Br)cc2C1 ZINC000652320772 565922250 /nfs/dbraw/zinc/92/22/50/565922250.db2.gz LFSCDKCBRFSDHD-UHFFFAOYSA-N 1 0 382.302 2.743 20 0 GFADRO CN(Cc1cc(Br)cs1)C(=O)CN1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652351946 565922728 /nfs/dbraw/zinc/92/27/28/565922728.db2.gz LHRWKLGIBXPFCY-LRDDRELGSA-N 1 0 386.359 2.530 20 0 GFADRO CON1CCC(C(=O)N(CC[NH+](C)C)Cc2ccc(Br)cc2)CC1 ZINC000630846520 565922756 /nfs/dbraw/zinc/92/27/56/565922756.db2.gz CRRJCXPWSYJOIX-UHFFFAOYSA-N 1 0 398.345 2.613 20 0 GFADRO O[C@H](COc1ccc(Cl)c(Cl)c1)C[N@@H+]1CCS[C@@H]2COCC[C@H]21 ZINC000676053101 565924512 /nfs/dbraw/zinc/92/45/12/565924512.db2.gz XXJUNNMXZTWYNR-IUIKQTSFSA-N 1 0 378.321 2.939 20 0 GFADRO O=C(N[C@H]1CC[N@@H+](C2CC2)C1)N[C@H]1CCOc2ccc(Br)cc21 ZINC000604179375 565924702 /nfs/dbraw/zinc/92/47/02/565924702.db2.gz JQBAEAMZPJPJAF-WFASDCNBSA-N 1 0 380.286 2.809 20 0 GFADRO Cc1cc(Br)sc1S(=O)(=O)N1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000652376796 565925386 /nfs/dbraw/zinc/92/53/86/565925386.db2.gz GZIYCQREEHGCBE-MWLCHTKSSA-N 1 0 381.361 2.957 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)N1CCO[C@H](c2cccc(Br)c2)C1 ZINC000604205700 565925497 /nfs/dbraw/zinc/92/54/97/565925497.db2.gz PTPCWPNOSYUGNH-WBVHZDCISA-N 1 0 394.313 2.769 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(S(=O)(=O)c3ccc(Cl)cc3Cl)C2)C1 ZINC000652374670 565925906 /nfs/dbraw/zinc/92/59/06/565925906.db2.gz XYUUWKGWDJBTRE-LNSITVRQSA-N 1 0 393.336 2.900 20 0 GFADRO COc1cc(C(F)(F)F)cc(S(=O)(=O)N2CCC[C@@H](C)[C@@H]2CC[NH3+])c1 ZINC000652377314 565926448 /nfs/dbraw/zinc/92/64/48/565926448.db2.gz DXCNMADXBCXLCO-ABAIWWIYSA-N 1 0 380.432 2.852 20 0 GFADRO C[C@@H]1CCCN(S(=O)(=O)c2cc(F)ccc2Br)[C@H]1CC[NH3+] ZINC000652377516 565926712 /nfs/dbraw/zinc/92/67/12/565926712.db2.gz JAPAAVMTRKOFQO-MFKMUULPSA-N 1 0 379.295 2.726 20 0 GFADRO C[NH2+]Cc1ccccc1CNS(=O)(=O)c1cc2c(c(Cl)c1)O[C@@H](C)C2 ZINC000652381889 565927710 /nfs/dbraw/zinc/92/77/10/565927710.db2.gz YJWZKLMVGJYSOE-LBPRGKRZSA-N 1 0 380.897 2.861 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2S(=O)(=O)c2ccc(Cl)c(F)c2)C1 ZINC000652383177 565927735 /nfs/dbraw/zinc/92/77/35/565927735.db2.gz DSECFIIOKSSBDL-LYRGGWFBSA-N 1 0 376.881 2.529 20 0 GFADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)COc3cc(Cl)ccc3Cl)CC2)C1 ZINC000604352845 565928001 /nfs/dbraw/zinc/92/80/01/565928001.db2.gz WOJVKUWPBPBUGM-HNNXBMFYSA-N 1 0 386.323 2.611 20 0 GFADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)COc3ccc(Cl)cc3Cl)CC2)C1 ZINC000604350989 565928583 /nfs/dbraw/zinc/92/85/83/565928583.db2.gz YWROTFXDOGRAIR-HNNXBMFYSA-N 1 0 386.323 2.611 20 0 GFADRO C[N@@H+]1CCC[C@H](NC(=O)Nc2cc(F)c(I)c(F)c2)C1 ZINC000604537305 565931838 /nfs/dbraw/zinc/93/18/38/565931838.db2.gz LWNZZGQKXWFLTL-QMMMGPOBSA-N 1 0 395.191 2.785 20 0 GFADRO Cn1nc2c(c1C[NH2+]CCNC(=O)c1ccc(Br)cc1)CCCC2 ZINC000631048841 565935303 /nfs/dbraw/zinc/93/53/03/565935303.db2.gz MXHWUQSYVVXYFS-UHFFFAOYSA-N 1 0 391.313 2.581 20 0 GFADRO FC(F)(F)c1ccnc(NCC[NH2+]Cc2ccncc2Br)n1 ZINC000631076208 565938879 /nfs/dbraw/zinc/93/88/79/565938879.db2.gz KPSXXBHTTAQTLD-UHFFFAOYSA-N 1 0 376.180 2.855 20 0 GFADRO Cc1cc(S(=O)(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)c(C)cc1Br ZINC000604887510 565939771 /nfs/dbraw/zinc/93/97/71/565939771.db2.gz HPLCZBQAVJHISK-GJZGRUSLSA-N 1 0 387.343 2.971 20 0 GFADRO NS(=O)(=O)c1cc(C[NH2+][C@H](c2ccccc2)[C@H]2CCOC2)ccc1Cl ZINC000631106365 565941955 /nfs/dbraw/zinc/94/19/55/565941955.db2.gz SBVOKTDRWDSVGR-MAUKXSAKSA-N 1 0 380.897 2.855 20 0 GFADRO C[C@H]([NH2+]Cc1ccc(Cl)c(S(N)(=O)=O)c1)[C@@H](c1ccccc1)N(C)C ZINC000631114189 565943009 /nfs/dbraw/zinc/94/30/09/565943009.db2.gz SFEZHBYWSULGDY-UGSOOPFHSA-N 1 0 381.929 2.768 20 0 GFADRO COCCO[C@@H]1COCC[C@@H]1[NH2+]Cc1cc(OC)c(Br)cc1F ZINC000631115586 565943248 /nfs/dbraw/zinc/94/32/48/565943248.db2.gz WHRGCNYRTIXILZ-GOEBONIOSA-N 1 0 392.265 2.507 20 0 GFADRO OCC[C@H]([NH2+]Cc1cnc(N2CCOCC2)s1)c1ccc(Cl)c(F)c1 ZINC000631189597 565946782 /nfs/dbraw/zinc/94/67/82/565946782.db2.gz CODNJOYHGUHJOZ-INIZCTEOSA-N 1 0 385.892 2.986 20 0 GFADRO CN(C(=O)c1ccc2cncc(Br)c2n1)[C@H]1C[NH+]2CCC1CC2 ZINC000631233108 565949365 /nfs/dbraw/zinc/94/93/65/565949365.db2.gz HPIWEWCKBUGLMV-HNNXBMFYSA-N 1 0 375.270 2.559 20 0 GFADRO CN(C(=O)c1ccc2cncc(Br)c2n1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000631237426 565949872 /nfs/dbraw/zinc/94/98/72/565949872.db2.gz GIWBPOPXDSNTFH-ZDUSSCGKSA-N 1 0 375.270 2.701 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653082000 565954366 /nfs/dbraw/zinc/95/43/66/565954366.db2.gz FYMZZGQFGONXAN-CVEARBPZSA-N 1 0 394.313 2.733 20 0 GFADRO CO[C@@H]1CCN(C(=O)Cn2c(C)c(Br)c3ccccc32)[C@@H](C[NH3+])C1 ZINC000653129022 565955021 /nfs/dbraw/zinc/95/50/21/565955021.db2.gz JVYVXBVNFHOPGZ-ZIAGYGMSSA-N 1 0 394.313 2.677 20 0 GFADRO O=C(NC1CCN(Cc2ccc(Br)cc2)CC1)[C@H]1CCC[NH2+]CC1 ZINC000653124246 565955294 /nfs/dbraw/zinc/95/52/94/565955294.db2.gz VKYMQJOCPJRBKP-INIZCTEOSA-N 1 0 394.357 2.919 20 0 GFADRO C[C@@H](CNC(=O)N1CCc2[nH]c3c(cccc3Br)c2C1)[NH+](C)C ZINC000653164311 565957653 /nfs/dbraw/zinc/95/76/53/565957653.db2.gz UOFUIPUTGIJVRT-NSHDSACASA-N 1 0 379.302 2.948 20 0 GFADRO C[NH+](C)CCn1cc(C(=O)NC2(c3cccc(Br)c3)CC2)cn1 ZINC000631444092 565958031 /nfs/dbraw/zinc/95/80/31/565958031.db2.gz YEFQXPCPXZBXOK-UHFFFAOYSA-N 1 0 377.286 2.626 20 0 GFADRO COc1ccc(C(=O)N2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)cc1Br ZINC000653190787 565958330 /nfs/dbraw/zinc/95/83/30/565958330.db2.gz OIQWPBJSUBLAJI-ZQIUZPCESA-N 1 0 397.313 2.816 20 0 GFADRO CCn1cc(Br)cc1C(=O)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000653189444 565958484 /nfs/dbraw/zinc/95/84/84/565958484.db2.gz XUEZEFXQYISONA-DUVNUKRYSA-N 1 0 384.318 2.629 20 0 GFADRO [NH3+]CC1(CCNC(=O)[C@H]2CCCN2C(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000653217695 565959385 /nfs/dbraw/zinc/95/93/85/565959385.db2.gz BOHGGDNMRQKFSK-OAHLLOKOSA-N 1 0 384.307 2.843 20 0 GFADRO C[C@H]1CCCN(C(=O)Cc2cc3c(cc2Br)OCCO3)[C@@H]1CC[NH3+] ZINC000653240274 565959489 /nfs/dbraw/zinc/95/94/89/565959489.db2.gz MAZXCFOXZKXPTA-SWLSCSKDSA-N 1 0 397.313 2.739 20 0 GFADRO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCCN2C(=O)c2cc(Br)ccc2O)C1 ZINC000653261422 565960273 /nfs/dbraw/zinc/96/02/73/565960273.db2.gz RIWTXTNVMPSMCD-XNRPHZJLSA-N 1 0 383.286 2.656 20 0 GFADRO CC[N@@H+]1CCN(C(=O)Cc2csc(NC(=O)c3cccs3)n2)C[C@@H]1C ZINC000677182157 565962323 /nfs/dbraw/zinc/96/23/23/565962323.db2.gz CHBIHQDLJMXCHI-LBPRGKRZSA-N 1 0 378.523 2.552 20 0 GFADRO CN(CCCC[NH+](C)C)C(=O)Nc1ccn(-c2ccc(Br)cc2)n1 ZINC000653361946 565964873 /nfs/dbraw/zinc/96/48/73/565964873.db2.gz LLGJFGWXMNCEHM-UHFFFAOYSA-N 1 0 394.317 2.862 20 0 GFADRO CN(Cc1ccc(Br)s1)S(=O)(=O)CCC[NH+]1CCCC1 ZINC000631662375 565966586 /nfs/dbraw/zinc/96/65/86/565966586.db2.gz FPGSGEIQUDGHAG-UHFFFAOYSA-N 1 0 381.361 2.758 20 0 GFADRO O=C(NCC[NH2+]Cc1cn2cccc(F)c2n1)c1ccc(Br)cc1 ZINC000677320076 565970424 /nfs/dbraw/zinc/97/04/24/565970424.db2.gz PGIICSAAJKKRRO-UHFFFAOYSA-N 1 0 391.244 2.756 20 0 GFADRO COCC[N@@H+]1CCC[C@@H](NC(=O)CCc2cc(Br)ccc2F)C1 ZINC000677542126 565976749 /nfs/dbraw/zinc/97/67/49/565976749.db2.gz WBWAPDVIPCWDNX-OAHLLOKOSA-N 1 0 387.293 2.748 20 0 GFADRO CC[C@@H](CO)[NH+]1CCN(C(=O)CCCc2cccc(Br)c2)CC1 ZINC000677581909 565977932 /nfs/dbraw/zinc/97/79/32/565977932.db2.gz MYQIDVJYFIJQDC-KRWDZBQOSA-N 1 0 383.330 2.687 20 0 GFADRO Brc1ccc2c(c1)N(C[C@H]1CCC3(C[NH2+]C3)O1)CC21CCOCC1 ZINC000631835672 565978532 /nfs/dbraw/zinc/97/85/32/565978532.db2.gz DHCWDNVAYPZPIS-OAHLLOKOSA-N 1 0 393.325 2.838 20 0 GFADRO CN(CCC[NH2+][C@@H]1CCc2c1cc(Br)cc2Cl)S(C)(=O)=O ZINC000677651554 565980657 /nfs/dbraw/zinc/98/06/57/565980657.db2.gz BDBZPBJZOSKUON-CQSZACIVSA-N 1 0 395.750 2.961 20 0 GFADRO COc1cc(C[NH2+][C@@H]2CCC[C@H](S(C)(=O)=O)C2)c(Br)cc1O ZINC000607169209 565980429 /nfs/dbraw/zinc/98/04/29/565980429.db2.gz MBEDDKBUYOFNJQ-NEPJUHHUSA-N 1 0 392.315 2.609 20 0 GFADRO C[C@H](NC(=O)CN1CCC[C@H]2C[NH2+]CC[C@@H]21)c1ccc(Br)cc1 ZINC000631885925 565981194 /nfs/dbraw/zinc/98/11/94/565981194.db2.gz FEDLCQYCTDUYSC-QRTARXTBSA-N 1 0 380.330 2.700 20 0 GFADRO Cc1cc(Cl)c(Br)cc1S(=O)(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000631905386 565982390 /nfs/dbraw/zinc/98/23/90/565982390.db2.gz LPVWIWAHBUIVPY-JOYOIKCWSA-N 1 0 381.723 2.769 20 0 GFADRO Cc1c(Br)csc1C(=O)NCCCC[N@@H+]1CCC[C@H]1CO ZINC000631962773 565986453 /nfs/dbraw/zinc/98/64/53/565986453.db2.gz SNDJLFVWTDGNEJ-LBPRGKRZSA-N 1 0 375.332 2.786 20 0 GFADRO O=S(=O)(NCc1cccc2c1CC[NH2+]C2)c1ccccc1Br ZINC000631961867 565986688 /nfs/dbraw/zinc/98/66/88/565986688.db2.gz FEORRZCJYJLFRR-UHFFFAOYSA-N 1 0 381.295 2.573 20 0 GFADRO [NH3+]Cc1ccc2c(c1)N(S(=O)(=O)Cc1cccc(Br)c1)CCO2 ZINC000631958051 565986712 /nfs/dbraw/zinc/98/67/12/565986712.db2.gz HZOJQERPHYJJBY-UHFFFAOYSA-N 1 0 397.294 2.637 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)CSc2nncn2-c2cccc(Cl)c2)CC[N@@H+]1C ZINC000607688730 565987058 /nfs/dbraw/zinc/98/70/58/565987058.db2.gz UCVNDEINIBCCPG-TZMCWYRMSA-N 1 0 379.917 2.612 20 0 GFADRO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000631975296 565987625 /nfs/dbraw/zinc/98/76/25/565987625.db2.gz CWTKTQAUIMXROF-YDHLFZDLSA-N 1 0 390.933 2.550 20 0 GFADRO O=S(=O)(CCC[NH+]1CCCC1)N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000631984113 565988853 /nfs/dbraw/zinc/98/88/53/565988853.db2.gz KFBLEKDADCFBFF-UHFFFAOYSA-N 1 0 382.370 2.619 20 0 GFADRO Cc1nc(-c2ccc(S(=O)(=O)N3CCC[C@H]4C[NH2+]CC[C@@H]43)s2)cs1 ZINC000631995045 565989541 /nfs/dbraw/zinc/98/95/41/565989541.db2.gz XEOFUNJYFSRDEG-JSGCOSHPSA-N 1 0 383.564 2.943 20 0 GFADRO Cc1cc(Br)c(S(=O)(=O)N2CCC[C@@H]3C[NH2+]CC[C@H]32)s1 ZINC000631994659 565989590 /nfs/dbraw/zinc/98/95/90/565989590.db2.gz PGGFRSMPZZJJBJ-ZYHUDNBSSA-N 1 0 379.345 2.582 20 0 GFADRO O=S(=O)(c1cc(Br)sc1Cl)N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631994524 565990081 /nfs/dbraw/zinc/99/00/81/565990081.db2.gz NNXHDMOEMKVCNY-DTWKUNHWSA-N 1 0 399.763 2.927 20 0 GFADRO C[N@H+](CCc1ccc(Br)cc1)CC(=O)N1CCOC[C@H]1C1CC1 ZINC000677983151 565991706 /nfs/dbraw/zinc/99/17/06/565991706.db2.gz JKVMZQQYXRWFBJ-KRWDZBQOSA-N 1 0 381.314 2.561 20 0 GFADRO C[N@@H+]1CCC[C@H](CNS(=O)(=O)CCC[NH+]2CCCC2)[C@H]1c1cccs1 ZINC000632027791 565991957 /nfs/dbraw/zinc/99/19/57/565991957.db2.gz NQYXZBYFWIYHJY-AEFFLSMTSA-N 1 0 385.599 2.536 20 0 GFADRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)c2cnn(-c3ccc(Br)cc3)c2)C1 ZINC000654067826 565994795 /nfs/dbraw/zinc/99/47/95/565994795.db2.gz DRTMOOHWJJYZJP-DRQUAOQDSA-N 1 0 377.286 2.705 20 0 GFADRO C[N@H+](CC1CC1)C[C@H]1CCN(S(=O)(=O)c2cscc2Br)C1 ZINC000632057496 565995676 /nfs/dbraw/zinc/99/56/76/565995676.db2.gz GLPSZTXBMCNWCP-GFCCVEGCSA-N 1 0 393.372 2.863 20 0 GFADRO Cc1c(Br)c[nH]c(=O)c1C(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000632115864 566000073 /nfs/dbraw/zinc/00/00/73/566000073.db2.gz FIMMRQXOKCECRU-CYBMUJFWSA-N 1 0 382.302 2.662 20 0 GFADRO C[NH+](C)CCCS(=O)(=O)N[C@@H](Cc1ccc(Cl)cc1)c1ccccn1 ZINC000632165553 566005659 /nfs/dbraw/zinc/00/56/59/566005659.db2.gz JYTXKLLOOUSFQP-SFHVURJKSA-N 1 0 381.929 2.890 20 0 GFADRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)N[C@@H]2CCN(c3ccccc3Br)C2)C1 ZINC000654439428 566010084 /nfs/dbraw/zinc/01/00/84/566010084.db2.gz YVWHGNHPGFXYLE-KFWWJZLASA-N 1 0 395.345 2.667 20 0 GFADRO C[C@H]1C[C@H](NC(=O)N2CCOc3cccc(Br)c3C2)C[N@@H+]1C1CC1 ZINC000654481860 566011310 /nfs/dbraw/zinc/01/13/10/566011310.db2.gz QHHXIOSQIFLTFB-STQMWFEESA-N 1 0 394.313 2.978 20 0 GFADRO Cc1sc(CC[NH2+]C2CCN(S(C)(=O)=O)CC2)nc1-c1ccccc1 ZINC000678597266 566013678 /nfs/dbraw/zinc/01/36/78/566013678.db2.gz DXKOPRQEGPURLL-UHFFFAOYSA-N 1 0 379.551 2.675 20 0 GFADRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CC(=O)Nc3ccc(Br)cc32)C1 ZINC000654549611 566013767 /nfs/dbraw/zinc/01/37/67/566013767.db2.gz YIBGHSUFBCQUFW-UKRRQHHQSA-N 1 0 394.313 2.816 20 0 GFADRO COCCC[NH+]1CCC(NC(=O)[C@@H](OC)c2ccccc2Br)CC1 ZINC000654698473 566019600 /nfs/dbraw/zinc/01/96/00/566019600.db2.gz KKPSHMKKHHDPND-KRWDZBQOSA-N 1 0 399.329 2.754 20 0 GFADRO C[C@@H](CNC(=O)N[C@@H]1CC[N@@H+](C2CC2)C1)Oc1cccc(Br)c1 ZINC000608685137 566021367 /nfs/dbraw/zinc/02/13/67/566021367.db2.gz ZNVWNGPKXMYOJY-GXTWGEPZSA-N 1 0 382.302 2.752 20 0 GFADRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)Nc2ccc(C(F)(F)F)cc2Cl)C1 ZINC000654888025 566028385 /nfs/dbraw/zinc/02/83/85/566028385.db2.gz XZXQDSKYCTUUSZ-JGZJWPJOSA-N 1 0 377.794 2.754 20 0 GFADRO Cc1cc(I)ccc1NC(=O)CSCC[NH+](C)C ZINC000609287306 566034394 /nfs/dbraw/zinc/03/43/94/566034394.db2.gz QEUZDALULPYLOG-UHFFFAOYSA-N 1 0 378.279 2.833 20 0 GFADRO Cc1cccc(C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)c1I ZINC000609383497 566038254 /nfs/dbraw/zinc/03/82/54/566038254.db2.gz QSQLRGYKKVNWEW-CYBMUJFWSA-N 1 0 384.261 2.814 20 0 GFADRO C[C@H](NC(=O)c1ccn(CC[NH+](C)C)n1)c1ccc(F)c(Br)c1 ZINC000655112942 566041230 /nfs/dbraw/zinc/04/12/30/566041230.db2.gz QSRHYVKNQYRZBW-NSHDSACASA-N 1 0 383.265 2.837 20 0 GFADRO C[NH+](C)CCCS(=O)(=O)N[C@@H]1CSCc2ccc(Br)cc21 ZINC000632556588 566045491 /nfs/dbraw/zinc/04/54/91/566045491.db2.gz OJDFQASFARDDNX-CQSZACIVSA-N 1 0 393.372 2.608 20 0 GFADRO O=c1[nH]c2ccc(S(=O)(=O)NC[C@H]3CC[N@@H+]3C3CCCCC3)cc2s1 ZINC000632591550 566048068 /nfs/dbraw/zinc/04/80/68/566048068.db2.gz AQLARZYKTZOHMU-CYBMUJFWSA-N 1 0 381.523 2.687 20 0 GFADRO O[C@@H](COc1ccc(Br)cc1)C[N@@H+]1CCC[C@@H](OC(F)F)C1 ZINC000679676322 566048872 /nfs/dbraw/zinc/04/88/72/566048872.db2.gz ICLPGUIGOXMOKN-TZMCWYRMSA-N 1 0 380.229 2.892 20 0 GFADRO CC1([NH+]2CCCC2)CCN(S(=O)(=O)c2cccnc2C(F)(F)F)CC1 ZINC000632639138 566053485 /nfs/dbraw/zinc/05/34/85/566053485.db2.gz MKKYSCOSWCVXGI-UHFFFAOYSA-N 1 0 377.432 2.739 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)CCC[N@@H+](C)[C@@H]1CCNC1=O ZINC000679821195 566053951 /nfs/dbraw/zinc/05/39/51/566053951.db2.gz GFHXIBDWTRJESG-CQSZACIVSA-N 1 0 382.302 2.605 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000655431614 566057060 /nfs/dbraw/zinc/05/70/60/566057060.db2.gz UQYZHFKAAGDLIZ-KDOFPFPSSA-N 1 0 394.313 2.592 20 0 GFADRO COc1ccc(Br)cc1C1(NC(=O)[C@H]2C[C@@]23CCC[NH2+]C3)CC1 ZINC000655483004 566059974 /nfs/dbraw/zinc/05/99/74/566059974.db2.gz CHVSLGYDAWEWCV-RHSMWYFYSA-N 1 0 379.298 2.953 20 0 GFADRO CSC[C@@](C)(O)CNC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000610022324 566061045 /nfs/dbraw/zinc/06/10/45/566061045.db2.gz LNBPQYQITAGAJT-WMZOPIPTSA-N 1 0 385.961 2.890 20 0 GFADRO CCc1nc(C(=O)N[C@@H](C[NH3+])C(F)(F)F)nn1-c1c(Cl)cccc1Cl ZINC000655511404 566062122 /nfs/dbraw/zinc/06/21/22/566062122.db2.gz CWSKGDDONBFLFR-VIFPVBQESA-N 1 0 396.200 2.756 20 0 GFADRO [NH3+]C[C@@H](NC(=O)CCOc1ccc(Cl)cc1Br)C(F)(F)F ZINC000655510006 566062184 /nfs/dbraw/zinc/06/21/84/566062184.db2.gz KJMWJYITFJARKN-SNVBAGLBSA-N 1 0 389.599 2.877 20 0 GFADRO Cc1cc(S(=O)(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)ccc1Cl ZINC000655539359 566065278 /nfs/dbraw/zinc/06/52/78/566065278.db2.gz QDNZTNLVLVUMQY-QZTJIDSGSA-N 1 0 386.945 2.695 20 0 GFADRO NC(=O)C1CC[NH+](C[C@H](NCc2cscn2)c2ccc(Cl)cc2)CC1 ZINC000680338382 566067366 /nfs/dbraw/zinc/06/73/66/566067366.db2.gz FLANQSHLRXVXFZ-KRWDZBQOSA-N 1 0 378.929 2.825 20 0 GFADRO Cc1c(Br)cccc1CS(=O)(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000655600746 566070535 /nfs/dbraw/zinc/07/05/35/566070535.db2.gz KNRZNOWQULNVSU-INIZCTEOSA-N 1 0 387.343 2.615 20 0 GFADRO C[C@@H]1C[C@H]([NH3+])CN1C(=O)Nc1cccc(Oc2ncc(Br)cn2)c1 ZINC000632922817 566073951 /nfs/dbraw/zinc/07/39/51/566073951.db2.gz KTQDXBIAZJRQIZ-PWSUYJOCSA-N 1 0 392.257 2.985 20 0 GFADRO Cc1nc(CNC(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)sc1Br ZINC000632918905 566074085 /nfs/dbraw/zinc/07/40/85/566074085.db2.gz GIYZVPTXQJUFRP-LBPRGKRZSA-N 1 0 387.347 2.888 20 0 GFADRO [NH3+]CC[C@H](NC(=O)N[C@@H]1[C@H]2Cc3c(cccc3Br)[C@@H]12)C(F)(F)F ZINC000632953523 566076727 /nfs/dbraw/zinc/07/67/27/566076727.db2.gz WUVAXOHZPIAUFL-FTYKPCCVSA-N 1 0 392.219 2.666 20 0 GFADRO CC(C)Oc1cc(NC(=O)N2CCO[C@@H]([C@@H](C)[NH3+])C2)ccc1Br ZINC000632960673 566077314 /nfs/dbraw/zinc/07/73/14/566077314.db2.gz ITOCXHQCSQEIPT-IAQYHMDHSA-N 1 0 386.290 2.816 20 0 GFADRO CC[C@@H](C[NH+]1CCCC1)NS(=O)(=O)c1cc(Br)cc(OC)c1 ZINC000680623501 566078375 /nfs/dbraw/zinc/07/83/75/566078375.db2.gz SBMWGCBCRQARSC-ZDUSSCGKSA-N 1 0 391.331 2.610 20 0 GFADRO [NH3+]C[C@@H](NC(=O)C(=O)Nc1nc(C2CCCCCC2)cs1)C(F)(F)F ZINC000633009872 566079666 /nfs/dbraw/zinc/07/96/66/566079666.db2.gz YSTXVAHOUARKQE-LLVKDONJSA-N 1 0 378.420 2.525 20 0 GFADRO [NH3+]C[C@H](NC(=O)C(=O)Nc1nc(C2CCCCCC2)cs1)C(F)(F)F ZINC000633009873 566079793 /nfs/dbraw/zinc/07/97/93/566079793.db2.gz YSTXVAHOUARKQE-NSHDSACASA-N 1 0 378.420 2.525 20 0 GFADRO O=S(=O)(N[C@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccc(OC(F)F)c(F)c1 ZINC000655668895 566080601 /nfs/dbraw/zinc/08/06/01/566080601.db2.gz UYSVYCBMURUTQY-UONOGXRCSA-N 1 0 378.416 2.722 20 0 GFADRO COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000633046411 566080881 /nfs/dbraw/zinc/08/08/81/566080881.db2.gz RHCRDVCPAHGIDP-SNVBAGLBSA-N 1 0 388.295 2.835 20 0 GFADRO O=S(=O)(N[C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccc(F)cc1Br ZINC000655669275 566081724 /nfs/dbraw/zinc/08/17/24/566081724.db2.gz OEAILTPDXLSMJH-KBPBESRZSA-N 1 0 391.306 2.883 20 0 GFADRO Brc1cc(C[NH2+]C2CCN([C@H]3CCOC3)CC2)cc2c1OCCO2 ZINC000655701153 566082539 /nfs/dbraw/zinc/08/25/39/566082539.db2.gz ACEUONUQDMJRLY-HNNXBMFYSA-N 1 0 397.313 2.563 20 0 GFADRO O=C1[C@H]([NH2+][C@@H]2CCc3cc(Br)ccc3C2)CCN1C1CCOCC1 ZINC000680874586 566086127 /nfs/dbraw/zinc/08/61/27/566086127.db2.gz BWMZFZLCNMYWIZ-SJLPKXTDSA-N 1 0 393.325 2.676 20 0 GFADRO Cc1nn(-c2cccc(Br)c2)cc1C[NH2+]C[C@H]1CCCC(=O)N1 ZINC000655768954 566088597 /nfs/dbraw/zinc/08/85/97/566088597.db2.gz SXKBLQCOJAFQPN-OAHLLOKOSA-N 1 0 377.286 2.702 20 0 GFADRO Cc1nn(-c2cccc(Br)c2)cc1C[NH2+][C@@H](CO)[C@H]1CCCOC1 ZINC000655781161 566088607 /nfs/dbraw/zinc/08/86/07/566088607.db2.gz AHIDSJUFKFGRJZ-KSSFIOAISA-N 1 0 394.313 2.820 20 0 GFADRO C[NH+](C)C[C@H]1CN(S(=O)(=O)c2c(F)cccc2Cl)c2ccccc2O1 ZINC000680976747 566090141 /nfs/dbraw/zinc/09/01/41/566090141.db2.gz NUBQKNCCWCFSNV-LBPRGKRZSA-N 1 0 384.860 2.997 20 0 GFADRO C[C@H]([NH2+]C[C@@H]1CCC[C@@]12NC(=O)N(C)C2=O)c1nc(C(F)(F)F)cs1 ZINC000681054160 566092768 /nfs/dbraw/zinc/09/27/68/566092768.db2.gz LHSHMFVTOOHXAO-UINNMSKDSA-N 1 0 376.404 2.533 20 0 GFADRO CC(C)(Cc1ccc(Br)cc1)NC(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000655915225 566094957 /nfs/dbraw/zinc/09/49/57/566094957.db2.gz LUGCRFBYPKPYPM-LLVKDONJSA-N 1 0 382.224 2.959 20 0 GFADRO Cc1c(Cl)cccc1N1CCCN(C(=O)N[C@@H](C[NH3+])C(F)(F)F)CC1 ZINC000655930141 566096339 /nfs/dbraw/zinc/09/63/39/566096339.db2.gz JZWFCMBHGGUJOG-AWEZNQCLSA-N 1 0 378.826 2.760 20 0 GFADRO [NH3+]C[C@@H](NC(=O)N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1)C(F)(F)F ZINC000655922593 566096630 /nfs/dbraw/zinc/09/66/30/566096630.db2.gz QXLKVOISKIAMDN-QPUJVOFHSA-N 1 0 385.217 2.761 20 0 GFADRO [NH3+]C[C@H](NC(=O)N[C@@H]1CSc2ccc(Br)cc21)C(F)(F)F ZINC000655930047 566097113 /nfs/dbraw/zinc/09/71/13/566097113.db2.gz YTFBHIPDXMUMJV-SCZZXKLOSA-N 1 0 384.221 2.785 20 0 GFADRO O=C(NCCC1CC[NH2+]CC1)N1CCOc2cccc(Br)c2C1 ZINC000655968839 566100125 /nfs/dbraw/zinc/10/01/25/566100125.db2.gz IDIQSJVOGDRSMN-UHFFFAOYSA-N 1 0 382.302 2.743 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)NCCCc1c(Cl)cccc1Cl ZINC000656029652 566101471 /nfs/dbraw/zinc/10/14/71/566101471.db2.gz CUEQJIDRIFTCHM-BLLLJJGKSA-N 1 0 386.323 2.771 20 0 GFADRO CC(C)[NH+]1CCC(N2CCN(c3ncc(Br)cc3F)CC2)CC1 ZINC000681391205 566105090 /nfs/dbraw/zinc/10/50/90/566105090.db2.gz YVOLERICIHDLRY-UHFFFAOYSA-N 1 0 385.325 2.978 20 0 GFADRO COC(=O)c1sc2ccccc2c1S(=O)(=O)N(C)CCCC[NH+](C)C ZINC000611025112 566111031 /nfs/dbraw/zinc/11/10/31/566111031.db2.gz DGVJVAIOBNXLOG-UHFFFAOYSA-N 1 0 384.523 2.650 20 0 GFADRO Cc1nn(-c2cccc(Br)c2)cc1C[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000656249532 566115784 /nfs/dbraw/zinc/11/57/84/566115784.db2.gz YOCXVVYKOPNZIZ-ZDUSSCGKSA-N 1 0 377.286 2.641 20 0 GFADRO CNC(=O)[C@@H](C)C[N@H+](C)Cc1cn(-c2ccccc2Br)nc1C ZINC000656254521 566117418 /nfs/dbraw/zinc/11/74/18/566117418.db2.gz HQFRSNRBIITMJE-LBPRGKRZSA-N 1 0 379.302 2.757 20 0 GFADRO COCC1(O)CC[NH+](Cc2cn(-c3ccccc3Br)nc2C)CC1 ZINC000656252961 566117477 /nfs/dbraw/zinc/11/74/77/566117477.db2.gz GZBWIRRLAYXQAL-UHFFFAOYSA-N 1 0 394.313 2.917 20 0 GFADRO CNC(=O)[C@@H](C)C[N@H+](C)Cc1cn(-c2cccc(Br)c2)nc1C ZINC000656256713 566119226 /nfs/dbraw/zinc/11/92/26/566119226.db2.gz YJHRLKKPIQLAIT-LBPRGKRZSA-N 1 0 379.302 2.757 20 0 GFADRO COCCN(CC[NH+](C)C)Cc1cn(-c2ccccc2Br)nc1C ZINC000656262802 566120184 /nfs/dbraw/zinc/12/01/84/566120184.db2.gz ZRXVGMFTYLVUOK-UHFFFAOYSA-N 1 0 395.345 2.953 20 0 GFADRO C[C@H]1C[C@@H](C(=O)N(C)C[C@H](O)COc2cc(Cl)cc(Cl)c2)CC[N@@H+]1C ZINC000633751582 566120654 /nfs/dbraw/zinc/12/06/54/566120654.db2.gz BNEAMGSRIWRHRA-XEZPLFJOSA-N 1 0 389.323 2.922 20 0 GFADRO CS[C@@H]1CN(Cc2cc3c(cc2Br)OCCO3)C[C@@H]1[NH+](C)C ZINC000611191258 566121359 /nfs/dbraw/zinc/12/13/59/566121359.db2.gz KDOFOKAUGXDRDX-XJKSGUPXSA-N 1 0 387.343 2.698 20 0 GFADRO Cc1cc(Br)cc(S(=O)(=O)N2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000681994548 566137241 /nfs/dbraw/zinc/13/72/41/566137241.db2.gz VJLPWDRANQWOFI-UHFFFAOYSA-N 1 0 396.310 2.663 20 0 GFADRO CC1(C)CN(C(=O)CCc2nc3cc(Cl)ccc3s2)CC[N@@H+]1CCO ZINC000682010706 566138950 /nfs/dbraw/zinc/13/89/50/566138950.db2.gz ORJXDMOSIVFNBR-UHFFFAOYSA-N 1 0 381.929 2.797 20 0 GFADRO Cc1c(Br)c[nH]c(=O)c1C(=O)Nc1cnn(C2CC[NH+](C)CC2)c1 ZINC000634096559 566143805 /nfs/dbraw/zinc/14/38/05/566143805.db2.gz PEXGKMMPKGBMAF-UHFFFAOYSA-N 1 0 394.273 2.574 20 0 GFADRO Cc1cccc(NC(=O)C(=O)N[C@@H](C)C2CC[NH+](C)CC2)c1Br ZINC000682193456 566147012 /nfs/dbraw/zinc/14/70/12/566147012.db2.gz WTOFPFNPQBYMEP-LBPRGKRZSA-N 1 0 382.302 2.543 20 0 GFADRO O[C@@H](COc1cc(F)cc(Br)c1)C[N@@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000682187389 566147159 /nfs/dbraw/zinc/14/71/59/566147159.db2.gz UEQBWDANOZAPHZ-SWLSCSKDSA-N 1 0 398.276 2.931 20 0 GFADRO Cc1ccc(NC(=O)C(=O)N2CCC[C@H]([NH2+]C(C)C)C2)c(Br)c1 ZINC000682352340 566150338 /nfs/dbraw/zinc/15/03/38/566150338.db2.gz KHWIPIYDRUOILF-ZDUSSCGKSA-N 1 0 382.302 2.685 20 0 GFADRO COC(=O)[C@H](NC(=O)C[N@H+](C)[C@H]1CCSC1)c1ccc(Cl)cc1Cl ZINC000612091849 566151618 /nfs/dbraw/zinc/15/16/18/566151618.db2.gz LHIGBFPIMUALNP-XHDPSFHLSA-N 1 0 391.320 2.761 20 0 GFADRO CO[C@H](C[NH2+][C@H]1CCN(c2ccc(Br)c(C)c2)C1=O)[C@@H]1CCOC1 ZINC000656675932 566155050 /nfs/dbraw/zinc/15/50/50/566155050.db2.gz FAAARXPUTJEGQX-XOKHGSTOSA-N 1 0 397.313 2.504 20 0 GFADRO O[C@@H](C[NH2+]CC1(Cc2ccc(Br)cc2)CC1)COC1CCOCC1 ZINC000656708819 566156297 /nfs/dbraw/zinc/15/62/97/566156297.db2.gz KFSPVKPAWHKDAL-KRWDZBQOSA-N 1 0 398.341 2.918 20 0 GFADRO COC1CC[NH+](CCNC(=O)NCc2cccc(C)c2Br)CC1 ZINC000682479038 566156749 /nfs/dbraw/zinc/15/67/49/566156749.db2.gz UGIHPBVTTQAOSM-UHFFFAOYSA-N 1 0 384.318 2.668 20 0 GFADRO Cc1c(F)c(Br)ccc1C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000612387864 566159832 /nfs/dbraw/zinc/15/98/32/566159832.db2.gz AOVWFELSHOCFKA-CYBMUJFWSA-N 1 0 385.277 2.880 20 0 GFADRO O=C(Cc1ccc(Br)cc1F)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000612388307 566159953 /nfs/dbraw/zinc/15/99/53/566159953.db2.gz GXJJGVYRYZNFRY-HNNXBMFYSA-N 1 0 385.277 2.500 20 0 GFADRO Cc1c(F)c(Br)ccc1C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000612387866 566159980 /nfs/dbraw/zinc/15/99/80/566159980.db2.gz AOVWFELSHOCFKA-ZDUSSCGKSA-N 1 0 385.277 2.880 20 0 GFADRO O=C(Cc1ccc(Br)cc1F)N1CC[C@H](OCC[NH+]2CCCC2)C1 ZINC000612433346 566162203 /nfs/dbraw/zinc/16/22/03/566162203.db2.gz YAWBDSYVXXBQBX-INIZCTEOSA-N 1 0 399.304 2.844 20 0 GFADRO CC(C)[N@@H+](Cc1cccc(Br)c1)C[C@H](O)CC1(O)CCOCC1 ZINC000634644046 566163002 /nfs/dbraw/zinc/16/30/02/566163002.db2.gz NJBCFBUWCQQDQQ-QGZVFWFLSA-N 1 0 386.330 2.952 20 0 GFADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3cc(Br)cc4c3OCCO4)CC[C@H]21 ZINC000612516578 566164426 /nfs/dbraw/zinc/16/44/26/566164426.db2.gz DGAPVBKWLVODPJ-IUODEOHRSA-N 1 0 395.297 2.777 20 0 GFADRO CC[N@@H+]1CCN(Cc2ccc(Br)cc2N2CCOCC2)C[C@H]1C ZINC000682779307 566170093 /nfs/dbraw/zinc/17/00/93/566170093.db2.gz XWMDZSWQPZYIGT-OAHLLOKOSA-N 1 0 382.346 2.812 20 0 GFADRO C[C@@H](NC(=O)c1cc(-c2ccc(Br)cc2)no1)[C@H]1CN(C)CCO1 ZINC000612669456 566170039 /nfs/dbraw/zinc/17/00/39/566170039.db2.gz GWKXIYUMTJKWGS-BDJLRTHQSA-N 1 0 394.269 2.553 20 0 GFADRO O[C@H](C[NH2+][C@@H]1CCO[C@]2(CCOC2)C1)COc1cc(Cl)cc(Cl)c1 ZINC000634709579 566170680 /nfs/dbraw/zinc/17/06/80/566170680.db2.gz LDWZPDRKHXVGBN-BFYDXBDKSA-N 1 0 376.280 2.661 20 0 GFADRO [NH3+]C[C@H]1CCN(Cc2nnnn2-c2ccccc2Br)c2ccccc21 ZINC000634689281 566171259 /nfs/dbraw/zinc/17/12/59/566171259.db2.gz NBEMWLSSLLESBJ-CYBMUJFWSA-N 1 0 399.296 2.877 20 0 GFADRO C[C@]([NH3+])(C(=O)N1CCO[C@H](C(F)F)CC1)c1ccc(Br)cc1 ZINC000634753083 566174011 /nfs/dbraw/zinc/17/40/11/566174011.db2.gz YAELAKJNJHOUGK-SWLSCSKDSA-N 1 0 377.229 2.506 20 0 GFADRO C[C@H](Cc1ccc(Br)cc1)[NH2+][C@@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O ZINC000682911304 566176017 /nfs/dbraw/zinc/17/60/17/566176017.db2.gz RSDIKVBPOMWJSZ-PBFPGSCMSA-N 1 0 391.313 2.897 20 0 GFADRO CC(C)[NH2+][C@@H]1CCCN(C(=O)c2ccc(I)c(O)c2)C1 ZINC000612846830 566176624 /nfs/dbraw/zinc/17/66/24/566176624.db2.gz FNTKVCVOYXXYRA-GFCCVEGCSA-N 1 0 388.249 2.599 20 0 GFADRO O=S(=O)(NCC1CC[NH+](Cc2ccccc2Cl)CC1)c1ccncc1 ZINC000656895639 566177844 /nfs/dbraw/zinc/17/78/44/566177844.db2.gz AWTZEVLNGUAXSK-UHFFFAOYSA-N 1 0 379.913 2.926 20 0 GFADRO Cc1cc(NC(=O)N2CC[N@H+](CCO)C(C)(C)C2)cc(C)c1Br ZINC000683155481 566185783 /nfs/dbraw/zinc/18/57/83/566185783.db2.gz YNWLEJLHZOOPDJ-UHFFFAOYSA-N 1 0 384.318 2.986 20 0 GFADRO O=C(Nc1cscc1Cl)C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000635037444 566190699 /nfs/dbraw/zinc/19/06/99/566190699.db2.gz MYQGJKFLIIOLEB-UHFFFAOYSA-N 1 0 378.885 2.516 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@@H](CNS(=O)(=O)c2ccc(Br)c(F)c2)C1 ZINC000657033918 566209780 /nfs/dbraw/zinc/20/97/80/566209780.db2.gz PVIVNKBOLNQDSX-NSHDSACASA-N 1 0 393.322 2.987 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@H](CNS(=O)(=O)c2cc(F)ccc2Br)C1 ZINC000657035614 566210424 /nfs/dbraw/zinc/21/04/24/566210424.db2.gz ZTWOMIZDRGHKKC-LLVKDONJSA-N 1 0 393.322 2.987 20 0 GFADRO Cc1cc(Br)c(S(=O)(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)s1 ZINC000657060139 566214468 /nfs/dbraw/zinc/21/44/68/566214468.db2.gz FKVQQVWYPLKLAU-SNVBAGLBSA-N 1 0 381.361 2.970 20 0 GFADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)Nc1cc(F)cc(Br)c1F ZINC000683811704 566215313 /nfs/dbraw/zinc/21/53/13/566215313.db2.gz ZJNGATCUANOEPV-NSHDSACASA-N 1 0 392.244 2.960 20 0 GFADRO C[C@@H](C(=O)N1CCC[C@](O)(C[NH+](C)C)C1)c1ccc(Br)s1 ZINC000683911813 566218942 /nfs/dbraw/zinc/21/89/42/566218942.db2.gz IABKVFFCLSJNAY-ABAIWWIYSA-N 1 0 375.332 2.529 20 0 GFADRO C[N@@H+]1CC[C@H](CC(=O)Nc2nccn2Cc2ccc(Br)cc2)C1 ZINC000635668819 566222135 /nfs/dbraw/zinc/22/21/35/566222135.db2.gz UTQRKDGIOOOHOM-CQSZACIVSA-N 1 0 377.286 2.974 20 0 GFADRO O=C(N[C@H]1CC[N@H+](CC2CC2)C1)c1cnnn1-c1c(Cl)cccc1Cl ZINC000684573123 566238707 /nfs/dbraw/zinc/23/87/07/566238707.db2.gz QDLWTBWABUVCPE-LBPRGKRZSA-N 1 0 380.279 2.788 20 0 GFADRO O=C(COC[C@@H]1CCOC1)Nc1ncccc1C[NH+]1CCc2ccccc2CC1 ZINC000362176536 570350150 /nfs/dbraw/zinc/35/01/50/570350150.db2.gz GMQMCZWIMMYBNB-GOSISDBHSA-N 1 0 395.503 2.674 20 0 GFADRO CCC[N@H+](CCc1cccc(F)c1)C[C@@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000736478546 598833362 /nfs/dbraw/zinc/83/33/62/598833362.db2.gz CXQUKECQFMGOMP-LJQANCHMSA-N 1 0 399.470 2.700 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)C=Cc2ccccc2-c2nn[nH]n2)C1 ZINC000736268330 598868155 /nfs/dbraw/zinc/86/81/55/598868155.db2.gz SVLAGDHRZANECP-LLSOJIOMSA-N 1 0 394.523 2.993 20 0 GFADRO CC(C)(CCCc1ccccc1)C[NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000735664680 598876100 /nfs/dbraw/zinc/87/61/00/598876100.db2.gz NSECYUYYPKIMPL-KRWDZBQOSA-N 1 0 394.527 2.744 20 0 GFADRO C[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(-c2nn[nH]n2)cc1)C1CCCC1 ZINC000736110037 598879151 /nfs/dbraw/zinc/87/91/51/598879151.db2.gz CTEPWRFIPNTXAN-OAHLLOKOSA-N 1 0 385.516 2.519 20 0 GFADRO COc1cc(-c2nn[nH]n2)ccc1Oc1ccc(NC(=O)[C@H]2CCC[N@@H+]2C)cc1 ZINC000737032324 598890876 /nfs/dbraw/zinc/89/08/76/598890876.db2.gz KUNCPIKDHOZMLT-MRXNPFEDSA-N 1 0 394.435 2.700 20 0 GFADRO CN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)c1oc2ccccc2c1C[NH+](C)C ZINC000736771492 598903310 /nfs/dbraw/zinc/90/33/10/598903310.db2.gz NQJSIJWGXKGLLR-UHFFFAOYSA-N 1 0 390.447 2.947 20 0 GFADRO FC(F)(F)c1ccc(C[N@@H+]2CC[C@@H](Nc3ccc(-c4nn[nH]n4)cn3)C2)cc1 ZINC000737635921 598914828 /nfs/dbraw/zinc/91/48/28/598914828.db2.gz QCUOQWZEBFHXEI-OAHLLOKOSA-N 1 0 389.385 2.967 20 0 GFADRO C[N@H+](CC(=O)Nc1cc(Cl)ccc1-c1nn[nH]n1)[C@@H]1CCc2ccccc2C1 ZINC000736787135 598916610 /nfs/dbraw/zinc/91/66/10/598916610.db2.gz GLZSESKAWCXVET-MRXNPFEDSA-N 1 0 396.882 2.948 20 0 GFADRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000736288497 598943351 /nfs/dbraw/zinc/94/33/51/598943351.db2.gz HXWRRTXFXFVSOL-QGZVFWFLSA-N 1 0 390.491 2.532 20 0 GFADRO CCOc1ccccc1[C@@H](C)[NH2+][C@@H]1CCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000736653511 598960766 /nfs/dbraw/zinc/96/07/66/598960766.db2.gz BAVBQQFSLLNSCK-RDTXWAMCSA-N 1 0 392.463 2.722 20 0 GFADRO COc1cc(-c2nn[nH]n2)ccc1OCC[N@@H+]1CC[C@@H](c2ccccc2F)C1 ZINC000737030903 598986045 /nfs/dbraw/zinc/98/60/45/598986045.db2.gz BKRZCPVIRKKWCR-OAHLLOKOSA-N 1 0 383.427 2.883 20 0 GFADRO CCS[C@@H]1CCCC[N@H+](CCOc2ccc(-c3nn[nH]n3)cc2OC)C1 ZINC000736665525 598986885 /nfs/dbraw/zinc/98/68/85/598986885.db2.gz PBRZUUSORLAYBP-OAHLLOKOSA-N 1 0 377.514 2.862 20 0 GFADRO C[C@@H]1C[N@H+](Cc2cc(-c3nn[nH]n3)ccc2F)CC[C@H]1NC(=O)OC(C)(C)C ZINC000736288083 598988401 /nfs/dbraw/zinc/98/84/01/598988401.db2.gz QOGXKIWWVCMBSC-MLGOLLRUSA-N 1 0 390.463 2.741 20 0 GFADRO C[C@H]([NH2+]C1(CNC(=O)c2ccc(-c3nn[nH]n3)nc2)CCCC1)c1ccccc1 ZINC000736129716 599032178 /nfs/dbraw/zinc/03/21/78/599032178.db2.gz FIVUPFOERJSUNJ-HNNXBMFYSA-N 1 0 391.479 2.655 20 0 GFADRO FC(F)(F)c1ccc(-c2nn[nH]n2)c(N2CCC(C[NH+]3CCCCC3)CC2)n1 ZINC000737633446 599049574 /nfs/dbraw/zinc/04/95/74/599049574.db2.gz RUTUXEIJJVYXOJ-UHFFFAOYSA-N 1 0 395.433 2.983 20 0 GFADRO O=C(OCc1ccc(F)cc1-c1nn[nH]n1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000738232122 599058142 /nfs/dbraw/zinc/05/81/42/599058142.db2.gz PKTPOMAZNCJKSO-MRXNPFEDSA-N 1 0 395.438 2.961 20 0 GFADRO C[N@H+](CC12CC3CC(CC(C3)C1)C2)[C@@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000736795688 599067560 /nfs/dbraw/zinc/06/75/60/599067560.db2.gz XJLDVSYRPABWQG-YXSDIZSPSA-N 1 0 380.496 2.541 20 0 GFADRO Cc1ccccc1C1CC[NH+]([C@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000737422601 599075356 /nfs/dbraw/zinc/07/53/56/599075356.db2.gz MVBSZLDTFKVZQM-IBGZPJMESA-N 1 0 376.464 2.581 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCCN(c2cccc(F)c2)C1=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000736134942 599090868 /nfs/dbraw/zinc/09/08/68/599090868.db2.gz WPLRSOJNEVLOBR-SCLBCKFNSA-N 1 0 380.427 2.852 20 0 GFADRO COc1cccc(CCC[NH+]2CCN(c3ccc(-c4nn[nH]n4)cc3F)CC2)c1 ZINC000737130967 599133113 /nfs/dbraw/zinc/13/31/13/599133113.db2.gz KBOYXTKARRFEAS-UHFFFAOYSA-N 1 0 396.470 2.769 20 0 GFADRO Cc1ccc([C@@H]2CCCC[N@@H+]2C[C@@H](O)COc2ccc(-c3nn[nH]n3)cc2)o1 ZINC000737328330 599139162 /nfs/dbraw/zinc/13/91/62/599139162.db2.gz GEEBGKQGORCXBU-AEFFLSMTSA-N 1 0 383.452 2.735 20 0 GFADRO O=C1[C@H]([N@@H+]2CC[C@@H](Cc3ccccc3)C2)CCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000738290525 599139640 /nfs/dbraw/zinc/13/96/40/599139640.db2.gz PNACPVQOUWIYFX-FXAWDEMLSA-N 1 0 388.475 2.537 20 0 GFADRO CC1CCC([NH+]2CCN(C(=O)Nc3ccc(F)c(-c4nn[nH]n4)c3)CC2)CC1 ZINC000736243059 599147796 /nfs/dbraw/zinc/14/77/96/599147796.db2.gz UQARFIHDHKBDMB-UHFFFAOYSA-N 1 0 387.463 2.734 20 0 GFADRO CCC[N@H+](CCO)Cc1ccc(OCc2cccc(-c3nn[nH]n3)c2)c(OC)c1 ZINC000736479044 599207689 /nfs/dbraw/zinc/20/76/89/599207689.db2.gz HRUSIISVKNHDQR-UHFFFAOYSA-N 1 0 397.479 2.659 20 0 GFADRO Cc1c(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)cccc1-c1nn[nH]n1 ZINC000822091128 607288978 /nfs/dbraw/zinc/28/89/78/607288978.db2.gz OOBZUOFEOUIPGI-MRXNPFEDSA-N 1 0 377.452 2.571 20 0 GFADRO CCOc1ccc(-c2nn[nH]n2)cc1NC(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000821406558 599264766 /nfs/dbraw/zinc/26/47/66/599264766.db2.gz HXRAOKWNOVJHGM-HNNXBMFYSA-N 1 0 387.488 2.604 20 0 GFADRO C[C@@H]1C[C@@H](N(C)C(=O)Nc2ccc(-c3nn[nH]n3)c(C(F)(F)F)c2)CC[N@@H+]1C ZINC000820659060 599288390 /nfs/dbraw/zinc/28/83/90/599288390.db2.gz VVHQYFWSRKRCCW-PWSUYJOCSA-N 1 0 397.405 2.832 20 0 GFADRO CC(C)c1cnc(CN(C)[C@@H]2CC[N@H+](Cc3ccccc3-c3nn[nH]n3)C2)o1 ZINC000735932465 599291597 /nfs/dbraw/zinc/29/15/97/599291597.db2.gz LXWFPVJDZRVZHK-MRXNPFEDSA-N 1 0 381.484 2.684 20 0 GFADRO CC(C)[C@H](CNc1ccc(C(F)(F)F)c(-c2nn[nH]n2)c1)[NH+]1CCOCC1 ZINC000820020341 607345343 /nfs/dbraw/zinc/34/53/43/607345343.db2.gz FHNYEAJVALMDQB-HNNXBMFYSA-N 1 0 384.406 2.654 20 0 GFADRO CC(C)[C@@H](CNc1ccc(C(F)(F)F)c(-c2nn[nH]n2)c1)[NH+]1CCOCC1 ZINC000820020342 607345761 /nfs/dbraw/zinc/34/57/61/607345761.db2.gz FHNYEAJVALMDQB-OAHLLOKOSA-N 1 0 384.406 2.654 20 0 GFADRO Cc1ccc([C@H](CNC(=O)C=Cc2ccccc2-c2nn[nH]n2)[NH+]2CCCC2)o1 ZINC000737320268 598233843 /nfs/dbraw/zinc/23/38/43/598233843.db2.gz JSJRSKDEBMBHTE-CKDFRHGISA-N 1 0 392.463 2.735 20 0 GFADRO O[C@H](C[NH2+][C@@H](c1ccccc1)C1CCC1)COc1ccc(-c2nn[nH]n2)cc1 ZINC000738382990 598248263 /nfs/dbraw/zinc/24/82/63/598248263.db2.gz UONFPFGGXSYXHG-QUCCMNQESA-N 1 0 379.464 2.737 20 0 GFADRO Cc1ccc(SCC[NH+]2CCN(c3ncccc3-c3nn[nH]n3)CC2)cc1C ZINC000737369413 598249970 /nfs/dbraw/zinc/24/99/70/598249970.db2.gz TUTNLTIICYXKPN-UHFFFAOYSA-N 1 0 395.536 2.793 20 0 GFADRO C[NH+](C)[C@H]1CCN(C(=O)Nc2cccc(Oc3ccc(-c4nn[nH]n4)cc3)c2)C1 ZINC000736756067 598267084 /nfs/dbraw/zinc/26/70/84/598267084.db2.gz HZJQRGRREZAJRP-INIZCTEOSA-N 1 0 393.451 2.827 20 0 GFADRO C[NH+](C)[C@@H]1CCCN(C(=O)c2cccc(Oc3ccc(-c4nn[nH]n4)cc3)c2)C1 ZINC000736756479 598273375 /nfs/dbraw/zinc/27/33/75/598273375.db2.gz JKHKJGDMGXFNDN-QGZVFWFLSA-N 1 0 392.463 2.825 20 0 GFADRO CC(C)N(C)CC[NH2+]Cc1cccc(OCc2cccc(-c3nn[nH]n3)c2)c1 ZINC000735856989 598300445 /nfs/dbraw/zinc/30/04/45/598300445.db2.gz NSODKGOSLCXKNK-UHFFFAOYSA-N 1 0 380.496 2.876 20 0 GFADRO COc1cc(C[NH2+]CCSCc2ccccc2-c2nn[nH]n2)cc(OC)c1 ZINC000737045876 598362564 /nfs/dbraw/zinc/36/25/64/598362564.db2.gz RMMMXVLHWPZDIB-UHFFFAOYSA-N 1 0 385.493 2.907 20 0 GFADRO C[C@H]1C[N@H+](Cc2ccccc2-c2nn[nH]n2)CCN1c1nc2ccccc2o1 ZINC000736291651 598364496 /nfs/dbraw/zinc/36/44/96/598364496.db2.gz XGLXHROQPGWJLH-AWEZNQCLSA-N 1 0 375.436 2.719 20 0 GFADRO CCC[N@H+](C[C@H]1CCCCO1)Cn1ccc(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000736469398 598403076 /nfs/dbraw/zinc/40/30/76/598403076.db2.gz DZBWLNPWIKUVRS-GOSISDBHSA-N 1 0 381.484 2.969 20 0 GFADRO S=C(Nc1cnn(-c2cc[nH+]cc2)c1)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000738407076 598418984 /nfs/dbraw/zinc/41/89/84/598418984.db2.gz FUYDJBLOXSLLFB-UHFFFAOYSA-N 1 0 397.855 2.910 20 0 GFADRO Cc1ccc(F)c(C(=O)N(CC[NH+](C)C)Cc2cccc(-c3nn[nH]n3)c2)c1 ZINC000737342519 598420066 /nfs/dbraw/zinc/42/00/66/598420066.db2.gz GLSBVSOLFSLUNI-UHFFFAOYSA-N 1 0 382.443 2.518 20 0 GFADRO COc1ccc(C[N@H+](CCC(=O)Nc2sccc2-c2nn[nH]n2)C2CC2)cc1 ZINC000737091553 598431544 /nfs/dbraw/zinc/43/15/44/598431544.db2.gz VXEMBXFJIHANJR-UHFFFAOYSA-N 1 0 398.492 2.930 20 0 GFADRO COC1CC[NH+](C2(CNc3ncc(-c4nn[nH]n4)cc3Cl)CCCC2)CC1 ZINC000736964122 598469124 /nfs/dbraw/zinc/46/91/24/598469124.db2.gz ZJVPUMSDFQJFHB-UHFFFAOYSA-N 1 0 391.907 2.751 20 0 GFADRO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)N(C)Cc1cccc(-c2nn[nH]n2)c1 ZINC000736456709 598540501 /nfs/dbraw/zinc/54/05/01/598540501.db2.gz HPYUHXVGDIZIIN-SFHVURJKSA-N 1 0 385.516 2.663 20 0 GFADRO c1ccc(-c2nn[nH]n2)c(COc2cccc(C[NH2+]CCN3CCCC3)c2)c1 ZINC000738410299 598560911 /nfs/dbraw/zinc/56/09/11/598560911.db2.gz JBDUXKAQWFNGSU-UHFFFAOYSA-N 1 0 378.480 2.631 20 0 GFADRO c1cnn(CCC[NH2+]Cc2cccc(OCc3ccccc3-c3nn[nH]n3)c2)c1 ZINC000738411566 598562473 /nfs/dbraw/zinc/56/24/73/598562473.db2.gz VKJYPJUTNQNYTP-UHFFFAOYSA-N 1 0 389.463 2.822 20 0 GFADRO O=C(Nc1ccc(F)c(-c2nn[nH]n2)c1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000738161625 598583640 /nfs/dbraw/zinc/58/36/40/598583640.db2.gz HASKQCNTJRKEEC-OAHLLOKOSA-N 1 0 380.427 2.857 20 0 GFADRO O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)Nc1ccc(F)c(-c2nn[nH]n2)c1 ZINC000738042113 598625359 /nfs/dbraw/zinc/62/53/59/598625359.db2.gz VEVKRGFIBCYUJR-INIZCTEOSA-N 1 0 399.430 2.948 20 0 GFADRO C[C@H](CNC(=O)CSc1ccc(-c2nn[nH]n2)cc1)[N@H+](C)Cc1ccccc1 ZINC000736014077 598665941 /nfs/dbraw/zinc/66/59/41/598665941.db2.gz KGLQNHDRBYCBQP-OAHLLOKOSA-N 1 0 396.520 2.596 20 0 GFADRO C[C@@H]1CCC[C@](CNC(=O)CSc2ccc(-c3nn[nH]n3)cc2)([NH+](C)C)C1 ZINC000736247531 598666242 /nfs/dbraw/zinc/66/62/42/598666242.db2.gz FMTQLWGUCINODA-KUHUBIRLSA-N 1 0 388.541 2.586 20 0 GFADRO CCC[N@H+](CC(=O)NCc1cccc(C)c1)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000736469136 598699824 /nfs/dbraw/zinc/69/98/24/598699824.db2.gz FTMSNEYXEBKZKS-UHFFFAOYSA-N 1 0 378.480 2.704 20 0 GFADRO Cc1cccc(CNC(=O)C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC(C)C)c1 ZINC000737393385 598702751 /nfs/dbraw/zinc/70/27/51/598702751.db2.gz INTSEUFSQNICRB-UHFFFAOYSA-N 1 0 392.507 2.950 20 0 GFADRO OCC1CC[NH+](Cc2ccccc2NCc2ccccc2-c2nn[nH]n2)CC1 ZINC000738392583 598725184 /nfs/dbraw/zinc/72/51/84/598725184.db2.gz DVDGRZANHMBDNP-UHFFFAOYSA-N 1 0 378.480 2.683 20 0 GFADRO CC(C)[C@@H](c1ccccc1)[N@H+](C)C[C@@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000735737117 598796448 /nfs/dbraw/zinc/79/64/48/598796448.db2.gz YYWGFWAVHUPULT-QUCCMNQESA-N 1 0 381.480 2.936 20 0 GFADRO C[C@H](CN1CCOCC1)[N@H+](Cc1ccccc1)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000736010699 598809387 /nfs/dbraw/zinc/80/93/87/598809387.db2.gz VJRYJWOUAVCETE-GOSISDBHSA-N 1 0 392.507 2.590 20 0 GFADRO C[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000736822328 598813211 /nfs/dbraw/zinc/81/32/11/598813211.db2.gz LTLGPQIXMMXTBA-MRXNPFEDSA-N 1 0 386.500 2.946 20 0 GFADRO COc1ccc([C@@H](C)[NH2+]CCC(=O)Nc2cccc(-c3nn[nH]n3)c2)cc1F ZINC000821777666 599302273 /nfs/dbraw/zinc/30/22/73/599302273.db2.gz KUOSGXLGQBIZQB-GFCCVEGCSA-N 1 0 384.415 2.694 20 0 GFADRO C[C@@H]([NH2+]C[C@H](c1cccs1)N1CCOCC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000736130704 599306342 /nfs/dbraw/zinc/30/63/42/599306342.db2.gz IGJSFZBSROPVNO-RHSMWYFYSA-N 1 0 384.509 2.652 20 0 GFADRO C[C@H](c1ccc(-c2nn[nH]n2)cc1)[N@@H+]1CCCN(C(=O)c2ccc(F)cc2)CC1 ZINC000736196586 599309484 /nfs/dbraw/zinc/30/94/84/599309484.db2.gz KIFNYDMLDJSXAA-OAHLLOKOSA-N 1 0 394.454 2.915 20 0 GFADRO Cc1ccc(F)c(N2CCC[C@H]([N@H+](C)Cc3cccc(-c4nn[nH]n4)c3)C2=O)c1 ZINC000737344287 599310038 /nfs/dbraw/zinc/31/00/38/599310038.db2.gz CWYIXWJQBKGLKV-SFHVURJKSA-N 1 0 394.454 2.942 20 0 GFADRO FC(F)(F)c1cc([C@@H]2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C2)[nH]n1 ZINC000737632823 599315055 /nfs/dbraw/zinc/31/50/55/599315055.db2.gz NIPHWROGNXOYRF-CYBMUJFWSA-N 1 0 377.374 2.988 20 0 GFADRO C[C@@H]([NH2+][C@@H]1CCCN(c2cccc(F)c2)C1=O)c1cccc(-c2nn[nH]n2)c1 ZINC000820410312 599389726 /nfs/dbraw/zinc/38/97/26/599389726.db2.gz DEFNARRDDJZSBL-FZKQIMNGSA-N 1 0 380.427 2.852 20 0 GFADRO CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)[NH2+][C@@H](C)c2cccc(-c3nn[nH]n3)c2)c1C ZINC000819834645 599390672 /nfs/dbraw/zinc/39/06/72/599390672.db2.gz QAEFJHHXHBBJPG-WCQYABFASA-N 1 0 380.452 2.936 20 0 GFADRO Cc1cc(NC(=O)c2cccc(-c3nn[nH]n3)c2)ccc1OCC[NH+]1CCCC1 ZINC000737273408 599391146 /nfs/dbraw/zinc/39/11/46/599391146.db2.gz CKVZKZCKHYFKKM-UHFFFAOYSA-N 1 0 392.463 2.902 20 0 GFADRO COc1ccc(C[NH2+]CC(C)(C)N2CCc3ccccc3C2)cc1-c1nn[nH]n1 ZINC000821808579 599398733 /nfs/dbraw/zinc/39/87/33/599398733.db2.gz IRKVHXJIFQKVIB-UHFFFAOYSA-N 1 0 392.507 2.802 20 0 GFADRO CC[C@H](C[NH2+]Cc1ccc(OC)c(-c2nn[nH]n2)c1)N1CCc2ccccc2C1 ZINC000820908757 599398865 /nfs/dbraw/zinc/39/88/65/599398865.db2.gz QFXMRUAHUNSGGD-LJQANCHMSA-N 1 0 392.507 2.802 20 0 GFADRO C[C@@H]([NH2+]Cc1ccc(-c2nn[nH]n2)o1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000820432889 599438025 /nfs/dbraw/zinc/43/80/25/599438025.db2.gz TVHYQMATAAUIFE-CYBMUJFWSA-N 1 0 389.419 2.958 20 0 GFADRO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)Nc1cc(Cl)ccc1-c1nn[nH]n1 ZINC000736011013 599440690 /nfs/dbraw/zinc/44/06/90/599440690.db2.gz YIDUERZCEZLZTF-CQSZACIVSA-N 1 0 398.902 2.538 20 0 GFADRO COc1ccc(C[NH2+]CCc2ccc(Br)cc2)cc1-c1nn[nH]n1 ZINC000821813884 599442310 /nfs/dbraw/zinc/44/23/10/599442310.db2.gz NVVDSLXPYYHVBX-UHFFFAOYSA-N 1 0 388.269 2.970 20 0 GFADRO O[C@@H]1CCC[C@H]1C[NH2+]Cc1cccc(OCc2cccc(-c3nn[nH]n3)c2)c1 ZINC000823697154 599459459 /nfs/dbraw/zinc/45/94/59/599459459.db2.gz JYGAFJJMSXUQGZ-AZUAARDMSA-N 1 0 379.464 2.696 20 0 GFADRO C[C@@H](C(=O)Nc1cccc(-c2nn[nH]n2)c1)[N@@H+]1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000735558948 599477579 /nfs/dbraw/zinc/47/75/79/599477579.db2.gz IBRVFEMFZRHGCN-HOCLYGCPSA-N 1 0 394.454 2.897 20 0 GFADRO Cc1nn(-c2ccccc2)c(C)c1C[NH2+]Cc1cnc2ccc(-c3nn[nH]n3)cn12 ZINC000737503349 599483380 /nfs/dbraw/zinc/48/33/80/599483380.db2.gz IATKUGBXGXUGGR-UHFFFAOYSA-N 1 0 399.462 2.607 20 0 GFADRO C[C@H](NC(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1)c1cccc(-c2nn[nH]n2)c1 ZINC000820321932 599528974 /nfs/dbraw/zinc/52/89/74/599528974.db2.gz OELSZOQSSNQZQK-HNAYVOBHSA-N 1 0 376.464 2.709 20 0 GFADRO CC[C@@H]1CN(c2c(-c3nn[nH]n3)cnc3c(C)cc(C)cc32)CC[N@@H+]1CCOC ZINC000820995650 599533723 /nfs/dbraw/zinc/53/37/23/599533723.db2.gz VKWLSYVBFOWIJE-MRXNPFEDSA-N 1 0 395.511 2.579 20 0 GFADRO CCOCC[N@@H+]1CCN(c2c(-c3nn[nH]n3)cnc3c(C)cccc32)C[C@@H]1CC ZINC000821378388 599533871 /nfs/dbraw/zinc/53/38/71/599533871.db2.gz MWNSEIZCKUPUQG-INIZCTEOSA-N 1 0 395.511 2.660 20 0 GFADRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000821196586 599546325 /nfs/dbraw/zinc/54/63/25/599546325.db2.gz BEBJKDGZIJWYBJ-SFHVURJKSA-N 1 0 390.491 2.851 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CNC(=O)c1cccc(Nc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000736571375 599561871 /nfs/dbraw/zinc/56/18/71/599561871.db2.gz PIDPUWJRVRQZJU-IBGZPJMESA-N 1 0 391.479 2.824 20 0 GFADRO CN(C(=O)c1cccc(Nc2ccc(-c3nn[nH]n3)cc2)c1)C1CC[NH+](C)CC1 ZINC000736852564 599562709 /nfs/dbraw/zinc/56/27/09/599562709.db2.gz QQOIWZKYISRTHS-UHFFFAOYSA-N 1 0 391.479 2.777 20 0 GFADRO Cc1nnc(NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)c(-c2nn[nH]n2)c1C ZINC000822515525 599584166 /nfs/dbraw/zinc/58/41/66/599584166.db2.gz NMBZRQSFGFLYMJ-CJNGLKHVSA-N 1 0 384.513 2.830 20 0 GFADRO Cc1ccccc1[C@@H]1C[C@H](C)[N@@H+]([C@@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000737424955 599585550 /nfs/dbraw/zinc/58/55/50/599585550.db2.gz ZUPGQJDOQCTLRZ-POZUXBRTSA-N 1 0 376.464 2.580 20 0 GFADRO C[C@@H](c1ccc(-c2nn[nH]n2)cc1)[N@H+](C)CCN1CCN(c2ccccc2)CC1 ZINC000736194840 599590672 /nfs/dbraw/zinc/59/06/72/599590672.db2.gz CEWLLVRNCHDXAV-SFHVURJKSA-N 1 0 391.523 2.682 20 0 GFADRO O=C(CC[N@@H+](Cc1cccc(O)c1)CC1CC1)Nc1cccc(-c2nn[nH]n2)c1 ZINC000822964000 599636933 /nfs/dbraw/zinc/63/69/33/599636933.db2.gz CDSIOHDWIKSTIL-UHFFFAOYSA-N 1 0 392.463 2.813 20 0 GFADRO COc1ccc(C[NH2+][C@@H](C)[C@@H](O)c2c(F)cccc2Cl)cc1-c1nn[nH]n1 ZINC000821798870 599646763 /nfs/dbraw/zinc/64/67/63/599646763.db2.gz RACUEQDFSNPJPJ-DYZYQPBXSA-N 1 0 391.834 2.880 20 0 GFADRO COc1ccc(C2CC[NH+](CC(=O)Nc3cccc(-c4nn[nH]n4)c3)CC2)cc1 ZINC000821786970 599691302 /nfs/dbraw/zinc/69/13/02/599691302.db2.gz MNIDLRORNUNVLD-UHFFFAOYSA-N 1 0 392.463 2.693 20 0 GFADRO Cc1cccc(NC[C@@H]2CC[N@@H+]([C@H](C)C(=O)NCc3ccc(C(=O)[O-])cc3)C2)[nH+]1 ZINC000738736482 600094499 /nfs/dbraw/zinc/09/44/99/600094499.db2.gz NOWTXBIBQUWDHF-AEFFLSMTSA-N 1 0 396.491 2.527 20 0 GFADRO CC(C)Oc1ccc(NC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1-c1nn[nH]n1 ZINC000820166323 607434532 /nfs/dbraw/zinc/43/45/32/607434532.db2.gz VTRIJWGOABLALS-UKRRQHHQSA-N 1 0 387.488 2.600 20 0 GFADRO CC[NH+](CC)[C@H](C)CNC(=O)Nc1ccc(OC(C)C)c(-c2nn[nH]n2)c1 ZINC000821182577 607433164 /nfs/dbraw/zinc/43/31/64/607433164.db2.gz WWHBFGDRRLMGSU-CYBMUJFWSA-N 1 0 375.477 2.506 20 0 GFADRO COc1ccccc1N1CC[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC000821898503 607477282 /nfs/dbraw/zinc/47/72/82/607477282.db2.gz PKDBDHPEVKLZSE-CQSZACIVSA-N 1 0 382.443 2.631 20 0 GFADRO Cc1oc(C[N@@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)cc1C(=O)[O-] ZINC000833025717 601156288 /nfs/dbraw/zinc/15/62/88/601156288.db2.gz QOXJJTJVZDVGGV-UHFFFAOYSA-N 1 0 377.529 2.914 20 0 GFADRO COc1ccc(C[N@@H+]2CCC[C@@H](CC(=O)OC(C)(C)C)C2)cc1-c1nn[nH]n1 ZINC000826194094 607514890 /nfs/dbraw/zinc/51/48/90/607514890.db2.gz AIYFXOGWXIRTLF-AWEZNQCLSA-N 1 0 387.484 2.819 20 0 GFADRO CCCCNC(=O)C1([NH2+]Cc2ccc(OC)c(-c3nn[nH]n3)c2)CCCCC1 ZINC000825285540 607523167 /nfs/dbraw/zinc/52/31/67/607523167.db2.gz ZVBGGHOPMDFWDQ-UHFFFAOYSA-N 1 0 386.500 2.584 20 0 GFADRO CCC(CC)(CC(=O)[O-])[NH2+]CC(=O)N1CCC[N@H+](Cc2ccc(C)cc2)CC1 ZINC000828797168 602211318 /nfs/dbraw/zinc/21/13/18/602211318.db2.gz WIBPHXQNTYZTJS-UHFFFAOYSA-N 1 0 389.540 2.652 20 0 GFADRO COc1ccc(C[NH+]2CCC(C[NH2+]C[C@H]3CCCN(C(=O)[O-])C3)CC2)cc1 ZINC000739903002 603271792 /nfs/dbraw/zinc/27/17/92/603271792.db2.gz GIJJYCQZTREGNH-LJQANCHMSA-N 1 0 375.513 2.887 20 0 GFADRO COc1ccc(-c2nn[nH]n2)cc1CN1CC[N@H+](Cc2ccccc2)CC[C@@H]1C ZINC000826183756 607638281 /nfs/dbraw/zinc/63/82/81/607638281.db2.gz ZGCNFTWERRLUOV-KRWDZBQOSA-N 1 0 392.507 2.972 20 0 GFADRO Cc1cc(-c2nn[nH]n2)ccc1C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000826247789 607646592 /nfs/dbraw/zinc/64/65/92/607646592.db2.gz OEFBQGCBFASZFS-UHFFFAOYSA-N 1 0 376.464 2.570 20 0 GFADRO CN1CCC([NH+]2CCC(CC[N@H+](C)C[C@H]3CCCN(C(=O)[O-])C3)CC2)CC1 ZINC000828467581 604238416 /nfs/dbraw/zinc/23/84/16/604238416.db2.gz ZGYGHYMVUOIWBG-LJQANCHMSA-N 1 0 380.577 2.505 20 0 GFADRO Cc1cc(-c2nn[nH]n2)ccc1C(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000826245427 607689641 /nfs/dbraw/zinc/68/96/41/607689641.db2.gz XQUFMJUFJXNUFY-IAGOWNOFSA-N 1 0 382.512 2.902 20 0 GFADRO Cc1cc(-c2nn[nH]n2)ccc1C(=O)N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000826244146 607698074 /nfs/dbraw/zinc/69/80/74/607698074.db2.gz IGASIEGNQJONTA-QGZVFWFLSA-N 1 0 390.491 2.912 20 0 GFADRO Cc1cc(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)cc(C)c1OCC(=O)[O-] ZINC000832882392 604685266 /nfs/dbraw/zinc/68/52/66/604685266.db2.gz FXFMTSFSSWVIFC-VQTJNVASSA-N 1 0 390.524 2.624 20 0 GFADRO CCc1cc(N2CCN(c3ncccc3-c3nn[nH]n3)CC2)c2ccccc2[nH+]1 ZINC000825700637 607721905 /nfs/dbraw/zinc/72/19/05/607721905.db2.gz NIMPPUNMVYUSRE-UHFFFAOYSA-N 1 0 386.463 2.699 20 0 GFADRO CN(CC(C)(C)C[NH+]1CCOCC1)c1ccc(C(F)(F)F)cc1-c1nn[nH]n1 ZINC000825897868 607735055 /nfs/dbraw/zinc/73/50/55/607735055.db2.gz PACSVCVFXPANJA-UHFFFAOYSA-N 1 0 398.433 2.680 20 0 GFADRO O=C([O-])CCC[NH+]1CCC([NH2+]CCc2ccc(Br)s2)CC1 ZINC000833773737 605220371 /nfs/dbraw/zinc/22/03/71/605220371.db2.gz QKWCCANGIZMABB-UHFFFAOYSA-N 1 0 375.332 2.972 20 0 GFADRO O=C(NCc1cccc(-c2nn[nH]n2)c1)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000826441928 607757163 /nfs/dbraw/zinc/75/71/63/607757163.db2.gz BRADWPIXYNWGBY-UHFFFAOYSA-N 1 0 397.527 2.664 20 0 GFADRO O=C(C=Cc1ccccc1-c1nn[nH]n1)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000826400809 607767488 /nfs/dbraw/zinc/76/74/88/607767488.db2.gz IWFZPQNVIBFQEI-MDZDMXLPSA-N 1 0 394.523 2.995 20 0 GFADRO C[C@@H]1CC[N@H+](C[C@H](O)COc2ccc(-c3nn[nH]n3)cc2)[C@@H]1c1cccc(F)c1 ZINC000820722151 606112118 /nfs/dbraw/zinc/11/21/18/606112118.db2.gz GBKHLNQUTCVCEO-WNYOCNMUSA-N 1 0 397.454 2.829 20 0 GFADRO Cn1cccc1[C@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000822693835 606113399 /nfs/dbraw/zinc/11/33/99/606113399.db2.gz LDDNWGQLCCJQSR-GOSISDBHSA-N 1 0 379.468 2.761 20 0 GFADRO C[C@H](c1ccccc1)[C@H](C)[NH2+][C@@H]1CCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000820413729 606173342 /nfs/dbraw/zinc/17/33/42/606173342.db2.gz UZRCHDLOBJHQPR-YZVOILCLSA-N 1 0 376.464 2.754 20 0 GFADRO Brc1ccc(OCC[NH2+]Cc2cc(-c3nn[nH]n3)cs2)cc1 ZINC000819688133 606216608 /nfs/dbraw/zinc/21/66/08/606216608.db2.gz DNQQWXVNMSFKKY-UHFFFAOYSA-N 1 0 380.271 2.859 20 0 GFADRO CC(C)(C)OC(=O)N1CC[C@@H](CC[NH2+]Cc2cc(-c3nn[nH]n3)cs2)C1 ZINC000819933276 606217490 /nfs/dbraw/zinc/21/74/90/606217490.db2.gz MFOFSYIFAVAKIA-GFCCVEGCSA-N 1 0 378.502 2.665 20 0 GFADRO c1sc(C[NH2+]CC2(N3CCSCC3)CCCCC2)cc1-c1nn[nH]n1 ZINC000823820313 606219346 /nfs/dbraw/zinc/21/93/46/606219346.db2.gz CHUUFGZZTZNOCV-UHFFFAOYSA-N 1 0 378.571 2.770 20 0 GFADRO O=C1[C@@H]([NH2+]Cc2cc(-c3nn[nH]n3)cs2)CCCN1c1ccccc1Cl ZINC000823514161 606222433 /nfs/dbraw/zinc/22/24/33/606222433.db2.gz XBECBANSQYEILQ-AWEZNQCLSA-N 1 0 388.884 2.867 20 0 GFADRO COc1cccc(-c2noc([C@@H](C)NCc3cc(-c4nn[nH]n4)cs3)n2)c1 ZINC000821854689 606223337 /nfs/dbraw/zinc/22/33/37/606223337.db2.gz RSRZRLIYAXIBLR-SNVBAGLBSA-N 1 0 383.437 2.838 20 0 GFADRO CCc1cc(N2CCC([NH2+][C@@H](C)c3ccc(-c4nn[nH]n4)cc3)CC2)ncn1 ZINC000821469264 606239583 /nfs/dbraw/zinc/23/95/83/606239583.db2.gz AMDJZEVEBZUDQQ-AWEZNQCLSA-N 1 0 378.484 2.539 20 0 GFADRO Cn1cc(-c2nn[nH]n2)cc1C(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000822641076 606253766 /nfs/dbraw/zinc/25/37/66/606253766.db2.gz BIVGGQYXECYZFU-UHFFFAOYSA-N 1 0 393.495 2.511 20 0 GFADRO CC1(C)C[N@H+](C[C@@H](O)COc2ccc(-c3nn[nH]n3)cc2)[C@@H]1c1ccccc1 ZINC000820601994 606377766 /nfs/dbraw/zinc/37/77/66/606377766.db2.gz XOTRNRVLMXSCHF-IEBWSBKVSA-N 1 0 379.464 2.690 20 0 GFADRO Cc1cccc2c1ncc(-c1nn[nH]n1)c2NC1CC[NH+](C2CCCC2)CC1 ZINC000822335237 606403316 /nfs/dbraw/zinc/40/33/16/606403316.db2.gz JETDKZHCNUNOGZ-UHFFFAOYSA-N 1 0 377.496 2.964 20 0 GFADRO Cc1cccc2ncc(C[NH2+]CCSCc3ccccc3-c3nn[nH]n3)n21 ZINC000822340696 606406498 /nfs/dbraw/zinc/40/64/98/606406498.db2.gz CQWNAENDBNOXIO-UHFFFAOYSA-N 1 0 379.493 2.846 20 0 GFADRO Brc1cccc(OCC[NH2+]Cc2ccc(-c3nn[nH]n3)s2)c1 ZINC000819689030 606410364 /nfs/dbraw/zinc/41/03/64/606410364.db2.gz SRBVKICIHWMYGO-UHFFFAOYSA-N 1 0 380.271 2.859 20 0 GFADRO c1cc(-c2nn[nH]n2)sc1C[NH2+]CCNc1ccc(-c2ccccc2)nn1 ZINC000823767383 606415847 /nfs/dbraw/zinc/41/58/47/606415847.db2.gz QKLZATNUASONFL-UHFFFAOYSA-N 1 0 378.465 2.587 20 0 GFADRO CC(C)C[C@@H](CNC(=O)OC(C)(C)C)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC000820055224 606417515 /nfs/dbraw/zinc/41/75/15/606417515.db2.gz GARQEUYVTFOCCV-LBPRGKRZSA-N 1 0 380.518 2.957 20 0 GFADRO O=C(C[NH+]1CCC(c2ccc(F)cc2)CC1)NCc1cccc(-c2nn[nH]n2)c1 ZINC000822992775 606455713 /nfs/dbraw/zinc/45/57/13/606455713.db2.gz MCOGLQOXYAVHQF-UHFFFAOYSA-N 1 0 394.454 2.502 20 0 GFADRO Clc1ccc(N2CCC([NH2+]CCOc3ccccc3)CC2)nc1-c1nn[nH]n1 ZINC000822573909 606467473 /nfs/dbraw/zinc/46/74/73/606467473.db2.gz KUCLPZHKPVSQPJ-UHFFFAOYSA-N 1 0 399.886 2.553 20 0 GFADRO C[NH+](C)[C@H]1CCC[C@H](NC(=S)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)C1 ZINC000821581758 606618716 /nfs/dbraw/zinc/61/87/16/606618716.db2.gz UQYCBNFJLKGZGM-JQWIXIFHSA-N 1 0 379.921 2.679 20 0 GFADRO Cc1ccc(C[NH2+][C@H](C)c2ccc(-c3nn[nH]n3)cc2)c(N2CCOCC2)c1 ZINC000822238347 606633193 /nfs/dbraw/zinc/63/31/93/606633193.db2.gz DCMDNASGQQZKPE-MRXNPFEDSA-N 1 0 378.480 2.863 20 0 GFADRO C[NH+]1CCC(N(C(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)c2ccccc2)CC1 ZINC000821621900 606672687 /nfs/dbraw/zinc/67/26/87/606672687.db2.gz KQHSNBBWFMQROI-UHFFFAOYSA-N 1 0 398.417 2.886 20 0 GFADRO CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccccc2-c2ccccc2-c2nn[nH]n2)C1 ZINC000821240491 606692744 /nfs/dbraw/zinc/69/27/44/606692744.db2.gz HGGFUIDEZJUZBY-AUUYWEPGSA-N 1 0 376.464 2.604 20 0 GFADRO CC[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2ccccc2-c2ccccc2-c2nn[nH]n2)C1 ZINC000821240495 606692828 /nfs/dbraw/zinc/69/28/28/606692828.db2.gz HGGFUIDEZJUZBY-KUHUBIRLSA-N 1 0 376.464 2.604 20 0 GFADRO CC(C)CCOCC[NH+]1CCC(C(=O)Nc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000820076598 606705350 /nfs/dbraw/zinc/70/53/50/606705350.db2.gz OTKZWWJREZQUOO-UHFFFAOYSA-N 1 0 386.500 2.580 20 0 GFADRO COc1cc(-c2nn[nH]n2)ccc1OCC[N@@H+]1CC[C@](C)(c2ccccc2)C1 ZINC000821702098 606719001 /nfs/dbraw/zinc/71/90/01/606719001.db2.gz HNRQWYGLSCEWGM-NRFANRHFSA-N 1 0 379.464 2.918 20 0 GFADRO CCN1C[C@@H](C)[C@@H]([NH2+]Cc2cccc(OCc3cccc(-c4nn[nH]n4)c3)c2)C1 ZINC000821242314 606732678 /nfs/dbraw/zinc/73/26/78/606732678.db2.gz RHYLNJKNCWYCHZ-IERDGZPVSA-N 1 0 392.507 2.876 20 0 GFADRO CC[C@H]([NH2+]Cc1cccc(-c2nn[nH]n2)c1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000820926627 606742389 /nfs/dbraw/zinc/74/23/89/606742389.db2.gz UIJJIZPQLBCHPD-LEWJYISDSA-N 1 0 392.507 2.636 20 0 GFADRO CC(C)(C)OC(=O)C[C@H]1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC000819928461 606753180 /nfs/dbraw/zinc/75/31/80/606753180.db2.gz QAXCASIUNASRDZ-CYBMUJFWSA-N 1 0 375.448 2.950 20 0 GFADRO C[C@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@@H+]1Cc1cccc2ccccc21 ZINC000820803983 606780660 /nfs/dbraw/zinc/78/06/60/606780660.db2.gz KQZURLBZFMTHFN-HNNXBMFYSA-N 1 0 386.463 2.521 20 0 GFADRO C[C@@H]1CN(c2c(-c3nn[nH]n3)cnc3c(F)ccc(Cl)c32)C[C@@H]1[NH+](C)C ZINC000820768008 606803834 /nfs/dbraw/zinc/80/38/34/606803834.db2.gz LEEYFSISJFMTFV-RNCFNFMXSA-N 1 0 375.839 2.594 20 0 GFADRO C[C@@H]([NH2+]C[C@H](O)c1ccc(-c2nn[nH]n2)cc1)c1ccc(NC(=O)C2CC2)cc1 ZINC000820419556 606851973 /nfs/dbraw/zinc/85/19/73/606851973.db2.gz ICJMNIOFPXXYCT-YJYMSZOUSA-N 1 0 392.463 2.599 20 0 GFADRO O[C@H](C[NH2+]CCOc1ccc(C(F)(F)F)cc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823681472 606854501 /nfs/dbraw/zinc/85/45/01/606854501.db2.gz DSNPDJOGNMWZJJ-MRXNPFEDSA-N 1 0 393.369 2.588 20 0 GFADRO COc1ccc(C[NH2+][C@@H]2C[C@H](C)N(Cc3ccccc3)C2)cc1-c1nn[nH]n1 ZINC000821803135 606868067 /nfs/dbraw/zinc/86/80/67/606868067.db2.gz CDGRXVAYJADSCG-MAUKXSAKSA-N 1 0 378.480 2.628 20 0 GFADRO COc1ccc2c(c1)CCC[C@@H]2[N@H+](C)C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821850140 606889899 /nfs/dbraw/zinc/88/98/99/606889899.db2.gz XCSCDAFLDIHOGK-VQTJNVASSA-N 1 0 379.464 2.918 20 0 GFADRO CC1(C)CO[C@@H](c2ccccc2)C[N@@H+]1C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000820606949 606893302 /nfs/dbraw/zinc/89/33/02/606893302.db2.gz GPUHKDUGBHXYGP-RTBURBONSA-N 1 0 379.464 2.752 20 0 GFADRO CC(C)(C)OC(=O)C1CC[NH+](CCCOc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000819922516 606893437 /nfs/dbraw/zinc/89/34/37/606893437.db2.gz KNIZRCZSUZQBBA-UHFFFAOYSA-N 1 0 387.484 2.689 20 0 GFADRO C[C@@H]1CO[C@H](c2ccccc2)[C@@H](C)[N@@H+]1C[C@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000820804305 606897426 /nfs/dbraw/zinc/89/74/26/606897426.db2.gz QAOZFHXRINFBPQ-IPZZXCBHSA-N 1 0 379.464 2.751 20 0 GFADRO C[N@H+](CCCOC(=O)C=Cc1ccccc1-c1nn[nH]n1)Cc1ccccc1 ZINC000821600273 606897547 /nfs/dbraw/zinc/89/75/47/606897547.db2.gz FOGMEBAOJBZITO-SEYXRHQNSA-N 1 0 377.448 2.945 20 0 GFADRO C[C@H]1C[C@@H](NC(=O)CCc2ccc(-c3nn[nH]n3)cc2)C[N@@H+]1Cc1ccccc1 ZINC000820658035 606903716 /nfs/dbraw/zinc/90/37/16/606903716.db2.gz OSVPCICNRNDFCJ-OXJNMPFZSA-N 1 0 390.491 2.579 20 0 GFADRO O[C@H](C[N@@H+]1CC[C@@H](OCCCc2ccccc2)C1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823675608 606910369 /nfs/dbraw/zinc/91/03/69/606910369.db2.gz YJFMKNWBCLPXTA-NHCUHLMSSA-N 1 0 393.491 2.624 20 0 GFADRO CCO[C@@H]1C[C@H]([N@H+](C)CCC(=O)Nc2sccc2-c2nn[nH]n2)C12CCC2 ZINC000821360480 606917353 /nfs/dbraw/zinc/91/73/53/606917353.db2.gz ROOZBRMGCYFSRW-UONOGXRCSA-N 1 0 390.513 2.536 20 0 GFADRO C[C@@H]([NH2+]Cc1cccc(-c2nn[nH]n2)c1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000820431987 606994723 /nfs/dbraw/zinc/99/47/23/606994723.db2.gz JTNRHPTUCPZDBJ-LLVKDONJSA-N 1 0 393.419 2.714 20 0 GFADRO C[C@@H]([NH2+][C@@H](C)c1ccc(-c2nn[nH]n2)cc1)c1ccc(NS(C)(=O)=O)cc1 ZINC000820412919 607014122 /nfs/dbraw/zinc/01/41/22/607014122.db2.gz NEEVZILHOMUSIW-QWHCGFSZSA-N 1 0 386.481 2.650 20 0 GFADRO c1ccc(N2CCC([NH2+]CCSCc3ccccc3-c3nn[nH]n3)CC2)nc1 ZINC000823787764 607019056 /nfs/dbraw/zinc/01/90/56/607019056.db2.gz QKVKEFVMOFFARA-UHFFFAOYSA-N 1 0 395.536 2.754 20 0 GFADRO CC[C@@H](Cc1ccccc1)[NH2+]C1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1 ZINC000820914585 607048020 /nfs/dbraw/zinc/04/80/20/607048020.db2.gz PMOBGCCOJPWHMD-SFHVURJKSA-N 1 0 377.496 2.841 20 0 GFADRO Cc1ccc2c(c1)[C@H]([NH2+]C1CCN(c3ccc(-c4nn[nH]n4)cn3)CC1)CC2 ZINC000822274873 607048412 /nfs/dbraw/zinc/04/84/12/607048412.db2.gz KYIGRLZBLIQNEL-LJQANCHMSA-N 1 0 375.480 2.816 20 0 GFADRO CC(C)(C)OC(=O)NC[C@@H]1CCC[N@H+](Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC000819940036 607060130 /nfs/dbraw/zinc/06/01/30/607060130.db2.gz NVBIZJUYUVWSFV-ZDUSSCGKSA-N 1 0 390.463 2.743 20 0 GFADRO C[C@H]1C[N@H+](Cc2cc(F)ccc2-c2nn[nH]n2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000820760317 607068067 /nfs/dbraw/zinc/06/80/67/607068067.db2.gz QAVUTFCUDGVYHG-LRDDRELGSA-N 1 0 390.463 2.741 20 0 GFADRO CCN(C[C@H]1CC[N@H+](Cc2cc(F)ccc2-c2nn[nH]n2)C1)CC(F)(F)F ZINC000821198295 607071412 /nfs/dbraw/zinc/07/14/12/607071412.db2.gz RAVLCOPRVGSKGT-GFCCVEGCSA-N 1 0 386.397 2.712 20 0 GFADRO C[C@@H](CC(=O)NCCc1ccccc1)[NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1 ZINC000820225099 607089408 /nfs/dbraw/zinc/08/94/08/607089408.db2.gz AQQABGBIBJGSKB-HOTGVXAUSA-N 1 0 378.480 2.655 20 0 GFADRO Fc1ccc(CCN2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)cc1F ZINC000822767185 607174128 /nfs/dbraw/zinc/17/41/28/607174128.db2.gz ZEYUOCFWVJLDMD-UHFFFAOYSA-N 1 0 398.461 2.895 20 0 GFADRO COC(=O)CCC[N@H+](Cc1ccccc1)Cc1ccc(F)cc1-c1nn[nH]n1 ZINC000821660485 607176273 /nfs/dbraw/zinc/17/62/73/607176273.db2.gz TVXVBSFVQQRKDD-UHFFFAOYSA-N 1 0 383.427 2.961 20 0 GFADRO O=C(CC[N@@H+]1CCC[C@@H](Nc2ccccc2)C1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000822965025 607178056 /nfs/dbraw/zinc/17/80/56/607178056.db2.gz XGUGYOJPTUMSBE-LJQANCHMSA-N 1 0 391.479 2.772 20 0 GFADRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)Nc1ccc(-c2nn[nH]n2)cc1Cl ZINC000820980994 607196307 /nfs/dbraw/zinc/19/63/07/607196307.db2.gz NEOMNSPSCNIEDF-CYBMUJFWSA-N 1 0 377.880 2.906 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)Nc1ccc(-c2nn[nH]n2)cc1Cl)c1ccccc1 ZINC000821580101 607202557 /nfs/dbraw/zinc/20/25/57/607202557.db2.gz ZJTGNUFAIRUHES-MRXNPFEDSA-N 1 0 385.859 2.945 20 0 GFADRO CC(C)[C@@H](C(=O)NCc1cccc(-c2ccc(-c3nn[nH]n3)s2)c1)[NH+](C)C ZINC000735690268 607207595 /nfs/dbraw/zinc/20/75/95/607207595.db2.gz IJKOKHIXZWZIQJ-KRWDZBQOSA-N 1 0 384.509 2.798 20 0 GFADRO Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000822237473 607228652 /nfs/dbraw/zinc/22/86/52/607228652.db2.gz VNADUSPICODXJB-UHFFFAOYSA-N 1 0 376.464 2.952 20 0 GFADRO CC1(c2ccccc2)CC[NH+](CC(=O)Nc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000824843744 607800657 /nfs/dbraw/zinc/80/06/57/607800657.db2.gz JXSJWTYGGNZIHE-UHFFFAOYSA-N 1 0 376.464 2.859 20 0 GFADRO C[C@H]1C[C@H](CCNC(=O)c2sccc2-c2nn[nH]n2)C[N@@H+]1Cc1ccccc1 ZINC000824885367 607802865 /nfs/dbraw/zinc/80/28/65/607802865.db2.gz SILJKZCIZUDHKS-HOCLYGCPSA-N 1 0 396.520 2.959 20 0 GFADRO C[N@H+](Cc1ccccc1)CC(C)(C)NC(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000825980489 607817667 /nfs/dbraw/zinc/81/76/67/607817667.db2.gz BIINJLMNZWUVAO-UHFFFAOYSA-N 1 0 379.468 2.899 20 0 GFADRO CCCN(CC[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)C(=O)OC(C)(C)C ZINC000825313751 607820782 /nfs/dbraw/zinc/82/07/82/607820782.db2.gz QGDMKTZXEXFDBD-UHFFFAOYSA-N 1 0 378.452 2.743 20 0 GFADRO CC[N@@H+]1CCN(c2c(-c3nn[nH]n3)cnc3ccc(OC(F)F)cc32)C[C@@H]1C ZINC000825465817 607822152 /nfs/dbraw/zinc/82/21/52/607822152.db2.gz RIGNSAYUBIOFCE-NSHDSACASA-N 1 0 389.410 2.547 20 0 GFADRO O[C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)[N@H+](Cc2ccnc(-c3nn[nH]n3)c2)C1 ZINC000826505644 607831104 /nfs/dbraw/zinc/83/11/04/607831104.db2.gz BDIXURBUOFXGQH-GOEBONIOSA-N 1 0 390.369 2.588 20 0 GFADRO CC(=O)N1CC[C@H](C[N@@H+](C)Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)C1 ZINC000823973974 607857839 /nfs/dbraw/zinc/85/78/39/607857839.db2.gz NDFDETOWXGYTNQ-GOSISDBHSA-N 1 0 390.491 2.834 20 0 GFADRO OC[C@H](C1CC1)[N@H+](CCCOc1ccc(-c2nn[nH]n2)cc1)Cc1ccccc1 ZINC000826506711 607858704 /nfs/dbraw/zinc/85/87/04/607858704.db2.gz ALLADXYQGOXDMZ-OAQYLSRUSA-N 1 0 393.491 2.909 20 0 GFADRO CCc1nn(C)c(CC)c1C[NH2+]CCSCc1ccccc1-c1nn[nH]n1 ZINC000825760162 607908603 /nfs/dbraw/zinc/90/86/03/607908603.db2.gz TXNVYZATZBAHCR-UHFFFAOYSA-N 1 0 385.541 2.748 20 0 GFADRO C[C@@H]([NH2+]Cc1ccccc1-c1nn[nH]n1)c1cc(F)ccc1N1CCC(O)CC1 ZINC000824617316 607908980 /nfs/dbraw/zinc/90/89/80/607908980.db2.gz GMNVLIWPBICKGD-CQSZACIVSA-N 1 0 396.470 2.818 20 0 GFADRO CC[C@H]1C[N@H+](Cc2ccccc2-c2nn[nH]n2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000825212503 607942092 /nfs/dbraw/zinc/94/20/92/607942092.db2.gz RQAWTXOJGGBOAV-YOEHRIQHSA-N 1 0 386.500 2.992 20 0 GFADRO C[C@H](NC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824500807 607979379 /nfs/dbraw/zinc/97/93/79/607979379.db2.gz ZLUXZFUFXSTPNI-KYNGSXCRSA-N 1 0 391.479 2.672 20 0 GFADRO C[C@H]([NH2+]C[C@H]1CC(=O)N(Cc2ccccc2)C1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824577125 607983318 /nfs/dbraw/zinc/98/33/18/607983318.db2.gz GXPBINBOBVKQBJ-DOTOQJQBSA-N 1 0 376.464 2.566 20 0 GFADRO Cc1c(C)c(C)c(C[N@H+](C)CCCc2[nH]nc(N)c2-c2nn[nH]n2)c(C)c1C ZINC000826235320 608036134 /nfs/dbraw/zinc/03/61/34/608036134.db2.gz HLEPRMVKYZDQKC-UHFFFAOYSA-N 1 0 382.516 2.779 20 0 GFADRO CC(C)c1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CNc3c(-c4nn[nH]n4)cnn3C1)CCC2 ZINC000824347455 608101628 /nfs/dbraw/zinc/10/16/28/608101628.db2.gz AYYBODAKEVAKIA-LIRRHRJNSA-N 1 0 392.511 2.896 20 0 GFADRO Cc1cc(C(=O)N(CC[NH+](C)C)Cc2cccc(-c3nn[nH]n3)c2)cc(C)c1F ZINC000826258024 608119807 /nfs/dbraw/zinc/11/98/07/608119807.db2.gz XDGFQWBFJCQJAZ-UHFFFAOYSA-N 1 0 396.470 2.827 20 0 GFADRO Cc1ccc([C@@H]2CC[N@@H+]([C@H](C)C(=O)Nc3cccc(-c4nn[nH]n4)c3)C2)cc1 ZINC000826285938 608126658 /nfs/dbraw/zinc/12/66/58/608126658.db2.gz OJNGLUGHBNUUCQ-CRAIPNDOSA-N 1 0 376.464 2.992 20 0 GFADRO Cc1cccc([C@@H]2CC[N@@H+]([C@H]3CCN(c4ccc(-c5nn[nH]n5)cc4)C3=O)C2)c1 ZINC000826297846 608128011 /nfs/dbraw/zinc/12/80/11/608128011.db2.gz VCEJFCOJLYHCHO-QUCCMNQESA-N 1 0 388.475 2.770 20 0 GFADRO C[C@H]([NH2+]C[C@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824576447 608132260 /nfs/dbraw/zinc/13/22/60/608132260.db2.gz AMCFHXBYYJFHES-QWHCGFSZSA-N 1 0 390.463 2.913 20 0 GFADRO O=C(CC[NH+]1CCC(Cc2cccnc2)CC1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000826407240 608209428 /nfs/dbraw/zinc/20/94/28/608209428.db2.gz GKCXOIWGTZQNRD-UHFFFAOYSA-N 1 0 391.479 2.545 20 0 GFADRO FC(F)(F)c1ccc(O[C@H]2CC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C2)nc1 ZINC000826369353 608269120 /nfs/dbraw/zinc/26/91/20/608269120.db2.gz YZCZYUDOKMMILO-HNNXBMFYSA-N 1 0 390.369 2.934 20 0 GFADRO COc1ccc(C[NH2+][C@H](C)c2cccc(N3CCOCC3)c2)cc1-c1nn[nH]n1 ZINC000826202093 608287037 /nfs/dbraw/zinc/28/70/37/608287037.db2.gz NWCZOTUDWAWBCT-OAHLLOKOSA-N 1 0 394.479 2.563 20 0 GFADRO COc1ccc(C[NH2+][C@@H](C)c2ccc(NC(C)=O)cc2OC)cc1-c1nn[nH]n1 ZINC000826202356 608287046 /nfs/dbraw/zinc/28/70/46/608287046.db2.gz XTDQLNSLHMYOQD-LBPRGKRZSA-N 1 0 396.451 2.693 20 0 GFADRO COc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(OC)c(-c3nn[nH]n3)c1)CCCO2 ZINC000826212046 608287327 /nfs/dbraw/zinc/28/73/27/608287327.db2.gz DUDXYKJBGHUEAB-QGZVFWFLSA-N 1 0 381.436 2.887 20 0 GFADRO O=C1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CN1c1ccc(Cl)c(F)c1 ZINC000826478898 608310415 /nfs/dbraw/zinc/31/04/15/608310415.db2.gz LOVWEBAWQFKYFN-ZDUSSCGKSA-N 1 0 386.818 2.554 20 0 GFADRO Cc1nn(-c2ccccc2)c(C[N@@H+](C)C2Cc3ccccc3C2)c1-c1nn[nH]n1 ZINC000826332103 608310748 /nfs/dbraw/zinc/31/07/48/608310748.db2.gz JSDILPLWQHCMJY-UHFFFAOYSA-N 1 0 385.475 2.960 20 0 GFADRO C[N@@H+]1CCCC[C@@H]1C(=O)NCc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000826034437 608327664 /nfs/dbraw/zinc/32/76/64/608327664.db2.gz QRETVNGFRUDOIQ-LJQANCHMSA-N 1 0 376.464 2.634 20 0 GFADRO COc1cc(-c2nn[nH]n2)ccc1C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000826168840 608352937 /nfs/dbraw/zinc/35/29/37/608352937.db2.gz ADCLCBKWUJCVSG-KRWDZBQOSA-N 1 0 393.447 2.984 20 0 GFADRO COc1ccc(C2([NH2+]Cc3ccc(-c4nn[nH]n4)cc3OC)CCOCC2)cc1 ZINC000826190118 608370993 /nfs/dbraw/zinc/37/09/93/608370993.db2.gz PUUPRDGEZYAYDL-UHFFFAOYSA-N 1 0 395.463 2.679 20 0 GFADRO COc1cc(-c2nn[nH]n2)ccc1C[N@H+](Cc1ccccc1)[C@H](CO)C1CC1 ZINC000826168319 608373990 /nfs/dbraw/zinc/37/39/90/608373990.db2.gz JLPJOAYDCMDHCY-LJQANCHMSA-N 1 0 379.464 2.648 20 0 GFADRO C[C@H](c1ccc(-c2nn[nH]n2)cc1)[NH+]1CCN(Cc2nc3ccccc3[nH]2)CC1 ZINC000824764265 608417783 /nfs/dbraw/zinc/41/77/83/608417783.db2.gz UYEUGCNKJCFMKW-OAHLLOKOSA-N 1 0 388.479 2.622 20 0 GFADRO C[NH+](C)CCN(Cc1ccc(-c2nn[nH]n2)cc1)c1cc(Cl)nc(C2CC2)n1 ZINC000825865965 608431544 /nfs/dbraw/zinc/43/15/44/608431544.db2.gz NPKVIWPHNSBOLB-UHFFFAOYSA-N 1 0 398.902 2.756 20 0 GFADRO OCC[C@@H]([NH2+]Cc1ccc(-c2nn[nH]n2)cc1OC(F)F)c1ccccc1 ZINC000826509424 608432920 /nfs/dbraw/zinc/43/29/20/608432920.db2.gz VLJDVWOGKXYSSF-OAHLLOKOSA-N 1 0 375.379 2.681 20 0 GFADRO COc1cc(-c2nn[nH]n2)ccc1OCC[NH2+][C@H](C)c1cccc(NC(C)=O)c1 ZINC000826176353 608433853 /nfs/dbraw/zinc/43/38/53/608433853.db2.gz LOEYQMIZDPLSCW-CYBMUJFWSA-N 1 0 396.451 2.563 20 0 GFADRO CC[C@@H]([NH2+]CC(=O)NCc1cccc(-c2nn[nH]n2)c1)c1cccc(Cl)c1 ZINC000825144385 608433979 /nfs/dbraw/zinc/43/39/79/608433979.db2.gz ZSZLYTLKPFUDNH-QGZVFWFLSA-N 1 0 384.871 2.877 20 0 GFADRO COc1cc(C)c([C@H](C)[NH2+]CCOc2ccccc2-c2nn[nH]n2)cc1OC ZINC000826178409 608448399 /nfs/dbraw/zinc/44/83/99/608448399.db2.gz WTBSIKMZHNTWRQ-AWEZNQCLSA-N 1 0 383.452 2.922 20 0 GFADRO COc1cc(-c2nn[nH]n2)ccc1C[NH2+][C@H](C)c1cc(OC)c(OC)c(OC)c1 ZINC000826170145 608449285 /nfs/dbraw/zinc/44/92/85/608449285.db2.gz PTDFSINBLRDXFD-GFCCVEGCSA-N 1 0 399.451 2.752 20 0 GFADRO CCOc1ccccc1[C@H](CC)[NH2+]CC(=O)NCc1cccc(-c2nn[nH]n2)c1 ZINC000825654025 608458426 /nfs/dbraw/zinc/45/84/26/608458426.db2.gz MUAFCXRNKZGXOA-SFHVURJKSA-N 1 0 394.479 2.623 20 0 GFADRO CCOc1ccc(CN(C)C(=O)C[NH2+][C@@H](C)c2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000825639446 608461588 /nfs/dbraw/zinc/46/15/88/608461588.db2.gz WFXSUKXCPYEBKK-HNNXBMFYSA-N 1 0 394.479 2.575 20 0 GFADRO CCOc1cccc([C@H](C)[NH2+]CC(=O)Nc2oc(C)c(C)c2-c2nn[nH]n2)c1 ZINC000825648868 608471892 /nfs/dbraw/zinc/47/18/92/608471892.db2.gz FDCCEQZLXKTEAL-LBPRGKRZSA-N 1 0 384.440 2.765 20 0 GFADRO COc1ccc(-c2nn[nH]n2)cc1C[NH2+][C@@H](C)c1ccc(N2CCCC2=O)cc1 ZINC000826183817 608475456 /nfs/dbraw/zinc/47/54/56/608475456.db2.gz AZFXSTXPDUGJDY-AWEZNQCLSA-N 1 0 392.463 2.853 20 0 GFADRO Cc1oc(NC(=O)C[NH2+][C@@H](C)C(C)(C)c2ccccc2)c(-c2nn[nH]n2)c1C ZINC000826341652 608478030 /nfs/dbraw/zinc/47/80/30/608478030.db2.gz MRXGGMMRBPZZLL-AWEZNQCLSA-N 1 0 382.468 2.971 20 0 GFADRO COc1ccc(NC(=O)C[NH2+][C@@H](C)c2cccc(-c3nn[nH]n3)c2)cc1Cl ZINC000826209745 608483741 /nfs/dbraw/zinc/48/37/41/608483741.db2.gz OOOSHRZVFKECHE-NSHDSACASA-N 1 0 386.843 2.818 20 0 GFADRO CC(C)Oc1cccc(CNC(=O)C[NH2+][C@@H](C)c2cccc(-c3nn[nH]n3)c2)c1 ZINC000824333775 608486829 /nfs/dbraw/zinc/48/68/29/608486829.db2.gz MCBUAJZHZCBDOM-HNNXBMFYSA-N 1 0 394.479 2.621 20 0 GFADRO C[C@H]([NH2+]CC(=O)N[C@H]1CCCc2ccccc21)c1cccc(-c2nn[nH]n2)c1 ZINC000824556030 608492027 /nfs/dbraw/zinc/49/20/27/608492027.db2.gz ZHBVPQWLPRUFHG-LIRRHRJNSA-N 1 0 376.464 2.711 20 0 GFADRO COCC(=O)Nc1cccc(C[NH2+][C@@H]2CCCc3cc(-c4nn[nH]n4)ccc32)c1 ZINC000826147898 608498666 /nfs/dbraw/zinc/49/86/66/608498666.db2.gz PPKPBCWNKKFUPA-LJQANCHMSA-N 1 0 392.463 2.619 20 0 GFADRO CCNC(=O)c1cccc(C[NH2+][C@H]2CCCc3cc(-c4nn[nH]n4)ccc32)c1 ZINC000825476727 608505304 /nfs/dbraw/zinc/50/53/04/608505304.db2.gz UJXFCQTWGFZUKN-IBGZPJMESA-N 1 0 376.464 2.784 20 0 GFADRO O=C(NC1CC1)c1ccc(C[NH2+][C@@H]2CCCc3cc(-c4nn[nH]n4)ccc32)cc1 ZINC000826428630 608505735 /nfs/dbraw/zinc/50/57/35/608505735.db2.gz HLSBDFQKICKIFZ-HXUWFJFHSA-N 1 0 388.475 2.926 20 0 GFADRO FC(F)(F)Cn1cc(C[NH2+][C@H]2CCCc3cc(-c4nn[nH]n4)ccc32)cn1 ZINC000826367655 608517915 /nfs/dbraw/zinc/51/79/15/608517915.db2.gz IXNDUVIIWZMACU-HNNXBMFYSA-N 1 0 377.374 2.793 20 0 GFADRO CC(C)OC(=O)N1CCC([NH2+][C@H]2CCCc3cc(-c4nn[nH]n4)ccc32)CC1 ZINC000824309188 608519532 /nfs/dbraw/zinc/51/95/32/608519532.db2.gz IEUOKQZCUITKFT-SFHVURJKSA-N 1 0 384.484 2.843 20 0 GFADRO Cc1ccc(CN(C(=O)C[NH2+]C2(c3cccc(-c4nn[nH]n4)c3)CC2)C2CC2)o1 ZINC000826287546 608529403 /nfs/dbraw/zinc/52/94/03/608529403.db2.gz SXZVGMLKGHPLLN-UHFFFAOYSA-N 1 0 392.463 2.538 20 0 GFADRO CC[C@H]1Oc2cc([C@H](C)[NH2+]Cc3ccc(F)cc3-c3nn[nH]n3)ccc2NC1=O ZINC000825219283 608538401 /nfs/dbraw/zinc/53/84/01/608538401.db2.gz IXGYXNWXIYPGLC-APPDUMDISA-N 1 0 396.426 2.966 20 0 GFADRO CC[C@H](C)[C@H](C)[NH2+]CC(=O)Nc1c(-c2nn[nH]n2)c(C)c(C)n1Cc1ccco1 ZINC000825059974 608578342 /nfs/dbraw/zinc/57/83/42/608578342.db2.gz MSULXKAIOBAARX-JSGCOSHPSA-N 1 0 399.499 2.889 20 0 GFADRO CCCn1nc(C)c(C[N@@H+]2CCCN(c3ccccc3-c3nn[nH]n3)CC2)c1C ZINC000825363204 608584714 /nfs/dbraw/zinc/58/47/14/608584714.db2.gz VNANWPUFHOHAAA-UHFFFAOYSA-N 1 0 394.527 2.802 20 0 GFADRO C[C@H]1C[N@H+](C)[C@@H](C)CN1C(=O)c1cccc(Nc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000824978762 608594779 /nfs/dbraw/zinc/59/47/79/608594779.db2.gz XBMQHDMHGHSHNI-GJZGRUSLSA-N 1 0 391.479 2.775 20 0 GFADRO c1nc2ccc(-c3nn[nH]n3)cn2c1C[NH+]1CCC(COc2ccccc2)CC1 ZINC000826522914 608616600 /nfs/dbraw/zinc/61/66/00/608616600.db2.gz SXKSQGVYYPEWAR-UHFFFAOYSA-N 1 0 389.463 2.805 20 0 GFADRO COCC[N@H+](CCOc1ccc(F)cc1)Cc1cc(-c2nn[nH]n2)cs1 ZINC000826158476 608695278 /nfs/dbraw/zinc/69/52/78/608695278.db2.gz QWYVMLYYBRJEGY-UHFFFAOYSA-N 1 0 377.445 2.595 20 0 GFADRO OCC[C@@H]1CC[N@H+](Cc2cccc(OCc3cccc(-c4nn[nH]n4)c3)c2)C1 ZINC000826508736 608706371 /nfs/dbraw/zinc/70/63/71/608706371.db2.gz AKFVSHSXIARBAB-INIZCTEOSA-N 1 0 379.464 2.650 20 0 GFADRO CN(C)c1cccc([C@H]2CCC[N@@H+]2Cc2cnc3ccc(-c4nn[nH]n4)cn23)c1 ZINC000825880232 608713269 /nfs/dbraw/zinc/71/32/69/608713269.db2.gz ZQNAWLGUWUBPIO-LJQANCHMSA-N 1 0 388.479 2.918 20 0 GFADRO C[C@@]1(O)CCC[N@H+](Cc2cccc(OCc3cccc(-c4nn[nH]n4)c3)c2)C1 ZINC000824844229 608718303 /nfs/dbraw/zinc/71/83/03/608718303.db2.gz SPULXTWYGHNSFH-OAQYLSRUSA-N 1 0 379.464 2.793 20 0 GFADRO O=C(COc1ccccc1-c1nn[nH]n1)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000826419471 608765248 /nfs/dbraw/zinc/76/52/48/608765248.db2.gz YYGHLDPHDQOJBB-UHFFFAOYSA-N 1 0 392.463 2.523 20 0 GFADRO C[C@H]([NH2+]C1(CNc2cnccc2-c2nn[nH]n2)CCOCC1)c1ccccc1 ZINC000824538114 608783455 /nfs/dbraw/zinc/78/34/55/608783455.db2.gz HMFFFXSBTPMZFZ-HNNXBMFYSA-N 1 0 379.468 2.574 20 0 GFADRO C[C@@H]1Cc2cc(F)ccc2[C@H](C)[N@@H+]1C[C@@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000825012795 608806609 /nfs/dbraw/zinc/80/66/09/608806609.db2.gz LRDZAFQBWXPSJK-QWQRMKEZSA-N 1 0 397.454 2.753 20 0 GFADRO CCO[C@@H]1C[C@@H]([N@H+](C)Cc2cnc3ccc(-c4nn[nH]n4)cn23)C1(CC)CC ZINC000825581930 608830271 /nfs/dbraw/zinc/83/02/71/608830271.db2.gz GLSSGTCKPSGOCK-IAGOWNOFSA-N 1 0 383.500 2.930 20 0 GFADRO C[C@@H]([NH2+]C1CCN(Cc2ccccn2)CC1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824554349 609132849 /nfs/dbraw/zinc/13/28/49/609132849.db2.gz OVNSPVCWCWWEPP-CQSZACIVSA-N 1 0 381.459 2.716 20 0 GFADRO C[C@@H]([NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824545992 609142294 /nfs/dbraw/zinc/14/22/94/609142294.db2.gz FZKHCEMKIHMNSR-DGCLKSJQSA-N 1 0 376.436 2.666 20 0 GFADRO C[C@@H]([NH2+]Cc1ccnc(OC2CCOCC2)c1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824627320 609142790 /nfs/dbraw/zinc/14/27/90/609142790.db2.gz WYFIJAZEFMKCGK-CYBMUJFWSA-N 1 0 398.442 2.809 20 0 GFADRO COc1cc(-c2nn[nH]n2)ccc1OCC[N@@H+]1C[C@@H](C(F)(F)F)CC[C@@H]1C ZINC000826175473 609149179 /nfs/dbraw/zinc/14/91/79/609149179.db2.gz GQKVFLKMZSCLFU-AAEUAGOBSA-N 1 0 385.390 2.917 20 0 GFADRO C[C@H]([NH2+]CC1(N2CCCCC2)CCOCC1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824578349 609150901 /nfs/dbraw/zinc/15/09/01/609150901.db2.gz SUDPZSZIDHECOD-HNNXBMFYSA-N 1 0 388.491 2.692 20 0 GFADRO CC(=O)Nc1cccc(NC2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)c1 ZINC000824005403 609160799 /nfs/dbraw/zinc/16/07/99/609160799.db2.gz QNAXIZWQRYUIHD-UHFFFAOYSA-N 1 0 391.479 2.902 20 0 GFADRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)c(C)n1 ZINC000826283350 609167966 /nfs/dbraw/zinc/16/79/66/609167966.db2.gz OYSXBNQZGBUYOU-BEFAXECRSA-N 1 0 391.479 2.725 20 0 GFADRO NC(=O)[C@@H]([NH2+][C@@H]1CC=C(c2ccc(F)cc2)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000826389340 609315301 /nfs/dbraw/zinc/31/53/01/609315301.db2.gz VWNONPJSIJMMTI-MOPGFXCFSA-N 1 0 392.438 2.758 20 0 GFADRO C[C@H](NCc1ccccc1OCC[NH+](C)C)c1ccc(-c2nn[nH]n2)cc1F ZINC000824626127 609332259 /nfs/dbraw/zinc/33/22/59/609332259.db2.gz MGCLXVCXRQESCG-AWEZNQCLSA-N 1 0 384.459 2.797 20 0 GFADRO C[C@H]([NH2+][C@@H](C)c1ccc(-c2nn[nH]n2)cc1F)c1ccc2c(c1)CC(=O)N2C ZINC000824530243 609332787 /nfs/dbraw/zinc/33/27/87/609332787.db2.gz KIAPWPGDQWPKFR-RYUDHWBXSA-N 1 0 380.427 2.937 20 0 GFADRO COC1CCN(C(C)(C)C[NH2+][C@H](C)c2ccc(-c3nn[nH]n3)cc2F)CC1 ZINC000826147410 609334932 /nfs/dbraw/zinc/33/49/32/609334932.db2.gz WWLKHPYUTKSXDB-CYBMUJFWSA-N 1 0 376.480 2.546 20 0 GFADRO CC[C@@H]1CN(C(=O)C(C)C)CC[C@@H]1[NH2+][C@H](C)c1ccc(-c2nn[nH]n2)cc1F ZINC000825203525 609338985 /nfs/dbraw/zinc/33/89/85/609338985.db2.gz NHRQDIMAOQRWLT-LBTNJELSSA-N 1 0 388.491 2.940 20 0 GFADRO C[C@H]([NH2+]CCc1nc2c(cccc2F)n1C)c1ccc(-c2nn[nH]n2)cc1F ZINC000824605553 609341517 /nfs/dbraw/zinc/34/15/17/609341517.db2.gz KBDXHAGDHBOLJJ-NSHDSACASA-N 1 0 383.406 2.925 20 0 GFADRO CC(C)C[C@@H]1C[C@H]([NH2+]Cc2cn(C)nc2-c2ccc(-c3nn[nH]n3)cc2)CCO1 ZINC000824243486 609344031 /nfs/dbraw/zinc/34/40/31/609344031.db2.gz HHTUAEDQFCSQEV-RTBURBONSA-N 1 0 395.511 2.951 20 0 GFADRO CC(C)[C@@H]1C[C@@H]([NH2+]Cc2cn(C)nc2-c2ccc(-c3nn[nH]n3)cc2)CCO1 ZINC000824216516 609344317 /nfs/dbraw/zinc/34/43/17/609344317.db2.gz SRCNSZLJRXXAGD-ROUUACIJSA-N 1 0 381.484 2.560 20 0 GFADRO Cn1cc(C[NH2+]CCSCC(F)(F)F)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826361879 609345316 /nfs/dbraw/zinc/34/53/16/609345316.db2.gz TVERJASFPDLNJU-UHFFFAOYSA-N 1 0 397.430 2.652 20 0 GFADRO Brc1cc(-c2nn[nH]n2)ccc1C[N@@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000823820357 609357387 /nfs/dbraw/zinc/35/73/87/609357387.db2.gz CVKQLFUHNCPARY-CYBMUJFWSA-N 1 0 388.273 2.732 20 0 GFADRO CC[NH+](CC)CCNC(=O)c1ccccc1Oc1ccccc1-c1nn[nH]n1 ZINC000825412973 609361604 /nfs/dbraw/zinc/36/16/04/609361604.db2.gz WREMFBIIVNEJDC-UHFFFAOYSA-N 1 0 380.452 2.731 20 0 GFADRO C[N@H+](CCC1CCOCC1)Cc1ccc(-c2nn[nH]n2)cc1Br ZINC000825918908 609364142 /nfs/dbraw/zinc/36/41/42/609364142.db2.gz OKMMMUVWIUXASK-UHFFFAOYSA-N 1 0 380.290 2.878 20 0 GFADRO C[C@@H](CNC(=O)c1ccccc1Oc1ccccc1-c1nn[nH]n1)[N@H+](C)C1CC1 ZINC000824426793 609377368 /nfs/dbraw/zinc/37/73/68/609377368.db2.gz IBVPLKZSEDXCCU-AWEZNQCLSA-N 1 0 392.463 2.872 20 0 GFADRO C[N@@H+]1CCC[C@H](CNC(=O)c2ccccc2Oc2ccccc2-c2nn[nH]n2)C1 ZINC000826029059 609381260 /nfs/dbraw/zinc/38/12/60/609381260.db2.gz NJZMYIGNUSOCPK-OAHLLOKOSA-N 1 0 392.463 2.731 20 0 GFADRO C[NH+](C)CCCCNC(=O)c1ccccc1Oc1ccccc1-c1nn[nH]n1 ZINC000825860840 609381320 /nfs/dbraw/zinc/38/13/20/609381320.db2.gz YCYWPYOPPVXIQP-UHFFFAOYSA-N 1 0 380.452 2.731 20 0 GFADRO CC(C)(C)[NH2+]CCNC(=O)c1ccccc1Oc1ccccc1-c1nn[nH]n1 ZINC000824093839 609404362 /nfs/dbraw/zinc/40/43/62/609404362.db2.gz MUSWADBUVCWNNV-UHFFFAOYSA-N 1 0 380.452 2.777 20 0 GFADRO O=C1[C@@H]([NH2+]CCc2ccc(Cl)cc2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476656 609411261 /nfs/dbraw/zinc/41/12/61/609411261.db2.gz LWPZVPOFGXGTSY-SFHVURJKSA-N 1 0 396.882 2.848 20 0 GFADRO Cc1nccn1-c1ccc([C@H](C)[NH2+]C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000826330795 609423956 /nfs/dbraw/zinc/42/39/56/609423956.db2.gz IOTWLBIEFCLELH-VBKZILBWSA-N 1 0 389.463 2.745 20 0 GFADRO Cc1c(Cl)cnc(NCC2([NH+]3CCOCC3)CCCCC2)c1-c1nn[nH]n1 ZINC000826239609 609520405 /nfs/dbraw/zinc/52/04/05/609520405.db2.gz LMAHOTHNOYWQDH-UHFFFAOYSA-N 1 0 391.907 2.671 20 0 GFADRO c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H](Nc4cccc(-c5nn[nH]n5)n4)[C@@H]3C2)cc1 ZINC000826521169 609595224 /nfs/dbraw/zinc/59/52/24/609595224.db2.gz CFCVDJZSEFCKHP-RCCFBDPRSA-N 1 0 375.480 2.974 20 0 GFADRO c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H](Nc4ccc(-c5nn[nH]n5)nc4)[C@@H]3C2)cc1 ZINC000826521690 609595912 /nfs/dbraw/zinc/59/59/12/609595912.db2.gz VTPNXQRJKOUNBM-UHOSZYNNSA-N 1 0 375.480 2.974 20 0 GFADRO C[NH+](C)C1CCC(NC(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)CC1 ZINC000817299286 660189510 /nfs/dbraw/zinc/18/95/10/660189510.db2.gz WKPGYVNDCSCAJM-UHFFFAOYSA-N 1 0 375.441 2.677 20 0 GFADRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)Nc1cccc(C2SCCS2)c1 ZINC000817400602 660193977 /nfs/dbraw/zinc/19/39/77/660193977.db2.gz BBEWFEYCYLMKNY-HNNXBMFYSA-N 1 0 379.551 2.656 20 0 GFADRO O=C(CCC[S@](=O)c1ccc(Br)cc1)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000818018980 660213949 /nfs/dbraw/zinc/21/39/49/660213949.db2.gz WYHILNCPPNALIO-SBUREZEXSA-N 1 0 399.354 2.691 20 0 GFADRO CC(C)C[N@@H+]1CCO[C@@H](CNCc2cc(Br)cnc2Cl)C1 ZINC000842659197 661347707 /nfs/dbraw/zinc/34/77/07/661347707.db2.gz BLRYFXVGHXUCHN-AWEZNQCLSA-N 1 0 376.726 2.944 20 0 GFADRO CCS(=O)(=O)c1ccc(Cl)c(C(=O)N2CC3(C[C@H]2C)CC[NH2+]CC3)c1 ZINC000818291629 660222117 /nfs/dbraw/zinc/22/21/17/660222117.db2.gz BDIZRSCCRMMAAZ-CYBMUJFWSA-N 1 0 384.929 2.738 20 0 GFADRO CC(C)[C@](C)(C[NH3+])NC(=O)c1ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c1 ZINC000818522451 660227667 /nfs/dbraw/zinc/22/76/67/660227667.db2.gz VTCUGBNVXHMTHW-KRWDZBQOSA-N 1 0 389.949 2.520 20 0 GFADRO C/C(=C\C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccccc1Cl ZINC000818594560 660229425 /nfs/dbraw/zinc/22/94/25/660229425.db2.gz QTKGLJGQHMVSLV-PABFRNLHSA-N 1 0 375.822 2.696 20 0 GFADRO O=S(=O)(NCC[NH2+]C[C@H](O)c1ccc(Cl)cc1)c1cccc(Cl)c1 ZINC000818951990 660237741 /nfs/dbraw/zinc/23/77/41/660237741.db2.gz UGVCDAPDRYNHIC-INIZCTEOSA-N 1 0 389.304 2.595 20 0 GFADRO CCCNC(=O)CN1CCC([NH2+]C[C@@H](O)c2ccc(Cl)cc2Cl)CC1 ZINC000818954025 660237972 /nfs/dbraw/zinc/23/79/72/660237972.db2.gz PTNKOGADQVBZQK-QGZVFWFLSA-N 1 0 388.339 2.607 20 0 GFADRO O[C@H](C[NH2+]C[C@@H]1CCN(CC(F)(F)F)C1)c1ccc(Br)cc1 ZINC000818972931 660239688 /nfs/dbraw/zinc/23/96/88/660239688.db2.gz OYZIJBOQHDAMDW-SMDDNHRTSA-N 1 0 381.236 2.956 20 0 GFADRO Cc1cc(C)n(-c2ccc(C[NH2+]CCS(C)(=O)=O)c(C(F)(F)F)c2)n1 ZINC000818976733 660240468 /nfs/dbraw/zinc/24/04/68/660240468.db2.gz NPSWBYCJFHLEHN-UHFFFAOYSA-N 1 0 375.416 2.642 20 0 GFADRO COCCOc1ncccc1C[NH2+]C[C@@H](O)c1cccc(Br)c1 ZINC000818975453 660240480 /nfs/dbraw/zinc/24/04/80/660240480.db2.gz QKMKTCLJPRGFFT-MRXNPFEDSA-N 1 0 381.270 2.693 20 0 GFADRO C[C@](O)(C[NH2+]CCOC[C@@H]1CCCO1)c1ccc(Br)cc1F ZINC000819073512 660245482 /nfs/dbraw/zinc/24/54/82/660245482.db2.gz NGQZSBJBCLNHRS-BBRMVZONSA-N 1 0 376.266 2.581 20 0 GFADRO O[C@@H](C[NH2+][C@H]1CCN(CC(F)(F)F)C1)c1ccc(F)c(Br)c1 ZINC000818987078 660241719 /nfs/dbraw/zinc/24/17/19/660241719.db2.gz SFWMCQVHQGZXHG-GWCFXTLKSA-N 1 0 385.199 2.848 20 0 GFADRO O=C(Cc1cccc(F)c1)NCC[NH2+]C[C@H](O)c1ccccc1Br ZINC000818990324 660242241 /nfs/dbraw/zinc/24/22/41/660242241.db2.gz HMQJBOMDMRFHQH-KRWDZBQOSA-N 1 0 395.272 2.570 20 0 GFADRO COC(=O)N1CCC[C@H]([NH2+]C[C@H](O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000819003912 660243159 /nfs/dbraw/zinc/24/31/59/660243159.db2.gz SRZHQUPQDASCHC-RYUDHWBXSA-N 1 0 377.268 2.554 20 0 GFADRO C[C@](O)(C[NH2+]CC(=O)N1CCCCC1)c1ccc(Br)cc1Cl ZINC000819013226 660243327 /nfs/dbraw/zinc/24/33/27/660243327.db2.gz VUSIKCXVVMQWNW-INIZCTEOSA-N 1 0 389.721 2.912 20 0 GFADRO CS(=O)(=O)c1ccc(OCC[NH2+]C[C@H](O)c2ccc(Cl)c(F)c2)cc1 ZINC000819026718 660243874 /nfs/dbraw/zinc/24/38/74/660243874.db2.gz NMNQOGMUYWWLNP-KRWDZBQOSA-N 1 0 387.860 2.585 20 0 GFADRO COC1CCN(C(C)(C)C[NH2+]C[C@@H](O)c2ccc(Br)cc2)CC1 ZINC000819038800 660244087 /nfs/dbraw/zinc/24/40/87/660244087.db2.gz MDMSFSHJZOIBHH-QGZVFWFLSA-N 1 0 385.346 2.962 20 0 GFADRO COC1CCN(C(C)(C)C[NH2+]C[C@H](O)c2ccccc2Br)CC1 ZINC000819039756 660244115 /nfs/dbraw/zinc/24/41/15/660244115.db2.gz SWWXACCETYLZQJ-KRWDZBQOSA-N 1 0 385.346 2.962 20 0 GFADRO Cn1ccnc1[C@](O)(CC[NH2+]C[C@H](O)c1ccc(Cl)cc1)C(F)(F)F ZINC000818970350 660239420 /nfs/dbraw/zinc/23/94/20/660239420.db2.gz NNFOEXOXIOMNAU-DZGCQCFKSA-N 1 0 377.794 2.537 20 0 GFADRO CCc1nncn1CC[NH2+]C[C@@](C)(O)c1ccc(Br)cc1Cl ZINC000819089217 660246091 /nfs/dbraw/zinc/24/60/91/660246091.db2.gz IBYMEOOBMMDMSH-OAHLLOKOSA-N 1 0 387.709 2.754 20 0 GFADRO CC(C)(C)N1C[C@@H]([NH2+]C[C@@](C)(O)c2ccc(Br)cc2F)CC1=O ZINC000819125078 660247397 /nfs/dbraw/zinc/24/73/97/660247397.db2.gz BOXJDIOKMCOUPE-YVEFUNNKSA-N 1 0 387.293 2.785 20 0 GFADRO O[C@@H](C[NH2+][C@H]1CCN(c2ncccc2F)C1)c1cccc(Br)c1 ZINC000819150393 660247919 /nfs/dbraw/zinc/24/79/19/660247919.db2.gz RQGBFBOAOYWWDP-HOCLYGCPSA-N 1 0 380.261 2.885 20 0 GFADRO O[C@H](C[NH2+][C@@H]1CCN(c2ncccc2F)C1)c1ccc(Br)cc1 ZINC000819150723 660248178 /nfs/dbraw/zinc/24/81/78/660248178.db2.gz UZBOICYYSAPYHV-GDBMZVCRSA-N 1 0 380.261 2.885 20 0 GFADRO CC(C)(C)OC(=O)NC[C@](C)(O)C[NH2+]CCOc1ncc(Cl)cc1Cl ZINC000819161546 660248392 /nfs/dbraw/zinc/24/83/92/660248392.db2.gz HKXLRTGDRVEJHN-MRXNPFEDSA-N 1 0 394.299 2.633 20 0 GFADRO Cc1cc(S(=O)(=O)NCC[NH2+]C[C@H](O)c2cc(C)cc(C)c2)c(C)s1 ZINC000819180938 660249037 /nfs/dbraw/zinc/24/90/37/660249037.db2.gz ZBXVTCUFETZHQW-KRWDZBQOSA-N 1 0 382.551 2.583 20 0 GFADRO CCS(=O)(=O)CC[NH2+]C1CCN(Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000819220553 660250627 /nfs/dbraw/zinc/25/06/27/660250627.db2.gz BMQLLHAJIIZWTE-UHFFFAOYSA-N 1 0 379.353 2.982 20 0 GFADRO CC(C)(C)S(=O)(=O)N1CCC([NH2+]C[C@@H](O)c2ccc(F)cc2Cl)CC1 ZINC000819261193 660252319 /nfs/dbraw/zinc/25/23/19/660252319.db2.gz AYSURLFXUDVVHQ-MRXNPFEDSA-N 1 0 392.924 2.695 20 0 GFADRO CC(C)[C@H]([NH2+]C[C@@](C)(O)c1ccc(Br)cc1F)c1nncn1C ZINC000819304525 660254358 /nfs/dbraw/zinc/25/43/58/660254358.db2.gz WYXBSSXWFUGFEF-GOEBONIOSA-N 1 0 385.281 2.911 20 0 GFADRO O[C@H](C[NH2+]CCn1cc(Br)cn1)c1ccccc1C(F)(F)F ZINC000819307593 660254398 /nfs/dbraw/zinc/25/43/98/660254398.db2.gz AWLPKZJRTQGJNL-CYBMUJFWSA-N 1 0 378.192 2.988 20 0 GFADRO O=C(N1CCCC1)N1CCC[C@@H]([NH2+]C[C@@H](O)c2cccc(Br)c2)C1 ZINC000819305783 660254410 /nfs/dbraw/zinc/25/44/10/660254410.db2.gz USBXVINRXQXNDV-IAGOWNOFSA-N 1 0 396.329 2.752 20 0 GFADRO CC(C)S(=O)(=O)CC[NH2+]C[C@](C)(O)c1ccc(Br)cc1Cl ZINC000819316239 660254719 /nfs/dbraw/zinc/25/47/19/660254719.db2.gz DJKBFLVKSGCPSQ-AWEZNQCLSA-N 1 0 398.750 2.723 20 0 GFADRO CCO[C@@H]1C[C@H]([NH2+]C[C@H](O)c2ccccc2Br)[C@@H]1n1cccn1 ZINC000819334424 660255296 /nfs/dbraw/zinc/25/52/96/660255296.db2.gz XYAVNHIXJBZZAF-NXOAAHMSSA-N 1 0 380.286 2.687 20 0 GFADRO CCO[C@@H]1C[C@H]([NH2+]C[C@H](O)c2ccc(F)c(Br)c2)[C@H]1n1cccn1 ZINC000819333140 660255343 /nfs/dbraw/zinc/25/53/43/660255343.db2.gz KHNSJHFBSNAXBQ-MWDXBVQZSA-N 1 0 398.276 2.826 20 0 GFADRO CCOC(=O)N1CC[C@@H]([NH2+]C[C@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000819239668 660251459 /nfs/dbraw/zinc/25/14/59/660251459.db2.gz UPQWVUFEWXMJEX-OLZOCXBDSA-N 1 0 377.268 2.554 20 0 GFADRO COc1cc(/C=C\C(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)cc(Br)c1O ZINC000819717731 660267855 /nfs/dbraw/zinc/26/78/55/660267855.db2.gz JLDVTPIUJQIZQF-PKFHVXLBSA-N 1 0 395.297 2.729 20 0 GFADRO CN(CC[NH+](C)C)c1ccc(Br)cc1NC(=O)/C=C/[C@H]1CCOC1 ZINC000819736205 660268124 /nfs/dbraw/zinc/26/81/24/660268124.db2.gz FBWLJRQFGYLLSD-GBXSZLQWSA-N 1 0 396.329 2.978 20 0 GFADRO COCCC(=O)N1CCC([NH2+]Cc2nc(Cl)ccc2Br)CC1 ZINC000821220529 660318788 /nfs/dbraw/zinc/31/87/88/660318788.db2.gz NUXUCJWZICCVPY-UHFFFAOYSA-N 1 0 390.709 2.615 20 0 GFADRO O[C@H](CN1CCC[C@@H]([NH+]2CCOCC2)CC1)c1cccc(Br)c1 ZINC000821257797 660319408 /nfs/dbraw/zinc/31/94/08/660319408.db2.gz CCJOLAJRTRFQNE-QZTJIDSGSA-N 1 0 383.330 2.669 20 0 GFADRO [NH3+]C1CC2(C1)CC(NS(=O)(=O)c1cccc(Cl)c1Br)C2 ZINC000842796360 661354911 /nfs/dbraw/zinc/35/49/11/661354911.db2.gz ABVYABJWHCFWQY-UHFFFAOYSA-N 1 0 379.707 2.651 20 0 GFADRO CC1(C)C(=O)N[C@@H]1C1CC[NH+](C[C@@H](O)c2cccc(Br)c2)CC1 ZINC000821337370 660321978 /nfs/dbraw/zinc/32/19/78/660321978.db2.gz UNIMKFQWRDZCFM-HZPDHXFCSA-N 1 0 381.314 2.719 20 0 GFADRO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)Nc1cc(Br)nn1C ZINC000821467176 660326831 /nfs/dbraw/zinc/32/68/31/660326831.db2.gz UCJKYSACBUTXCL-GFCCVEGCSA-N 1 0 380.290 2.825 20 0 GFADRO C[C@H](NC(=O)c1cc(N)nc(Br)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000821811244 660334381 /nfs/dbraw/zinc/33/43/81/660334381.db2.gz HGXOFQRKSUNKQD-NWDGAFQWSA-N 1 0 381.318 2.809 20 0 GFADRO COc1cccc([C@@H](CNC(=O)c2sc(N(C)C)nc2Cl)[NH+](C)C)c1 ZINC000822238275 660341949 /nfs/dbraw/zinc/34/19/49/660341949.db2.gz ZMFPLTKQVRVZKY-CYBMUJFWSA-N 1 0 382.917 2.904 20 0 GFADRO CC[NH+]1CCN(c2ccc(CNC(=O)CC[C@@H]3CC3(Cl)Cl)cn2)CC1 ZINC000822325854 660343031 /nfs/dbraw/zinc/34/30/31/660343031.db2.gz GGXASPCKUGYAEZ-OAHLLOKOSA-N 1 0 385.339 2.814 20 0 GFADRO Cc1ccc(NC(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)c(Br)n1 ZINC000822030959 660339095 /nfs/dbraw/zinc/33/90/95/660339095.db2.gz XLSDRHQCSGRFJX-CYBMUJFWSA-N 1 0 383.290 2.527 20 0 GFADRO Cc1cnc(Br)cc1NC(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000822737840 660353293 /nfs/dbraw/zinc/35/32/93/660353293.db2.gz SBBAVTMIIYITSB-ZDUSSCGKSA-N 1 0 385.306 2.727 20 0 GFADRO Cc1cnc(Br)cc1NC(=O)N[C@@H](C)CN(C)CCC[NH+](C)C ZINC000822737677 660353134 /nfs/dbraw/zinc/35/31/34/660353134.db2.gz MVZVKPJHEVHBQA-ZDUSSCGKSA-N 1 0 386.338 2.546 20 0 GFADRO Brc1ccc(Cc2noc(-c3cn([C@@H]4CCC[NH2+]C4)nn3)n2)s1 ZINC000822919520 660358111 /nfs/dbraw/zinc/35/81/11/660358111.db2.gz JJSNEJRYHAVAJE-SECBINFHSA-N 1 0 395.286 2.667 20 0 GFADRO COc1ccc(Cc2noc([C@@H]3C[C@H]4C[C@H]4[NH2+]3)n2)c(Br)c1OC ZINC000822947598 660358701 /nfs/dbraw/zinc/35/87/01/660358701.db2.gz VWCKIOFWOSZIKU-MXWKQRLJSA-N 1 0 380.242 2.863 20 0 GFADRO [NH3+]CCCCn1cc(-c2nc(CCc3ccccc3Br)no2)nn1 ZINC000822973087 660359164 /nfs/dbraw/zinc/35/91/64/660359164.db2.gz QHTFYMUWXQXNMO-UHFFFAOYSA-N 1 0 391.273 2.615 20 0 GFADRO Fc1cccc(Cc2noc([C@@H]3C[C@@]34CC[NH2+]C4)n2)c1I ZINC000822981011 660359330 /nfs/dbraw/zinc/35/93/30/660359330.db2.gz SYDFBWHETLHYBS-ZUZCIYMTSA-N 1 0 399.207 2.871 20 0 GFADRO CC(C)[C@@H]([NH2+]Cc1ccc(S(=O)(=O)N(C)C)s1)[C@@H](O)c1ccccc1 ZINC000823109820 660362019 /nfs/dbraw/zinc/36/20/19/660362019.db2.gz DUUFZHPLLTZJLH-MSOLQXFVSA-N 1 0 382.551 2.846 20 0 GFADRO C[NH+](C)C1CCC(NC(=O)C[C@@H]2C(=O)Nc3c2cccc3Br)CC1 ZINC000823119485 660362351 /nfs/dbraw/zinc/36/23/51/660362351.db2.gz UZKFCCOSRXOPDK-YIZWMMSDSA-N 1 0 394.313 2.864 20 0 GFADRO COCC[C@@H](Cc1cccc(Br)c1)c1nc(N2CC[NH2+]CC2)no1 ZINC000823310421 660368100 /nfs/dbraw/zinc/36/81/00/660368100.db2.gz WNGMXWZCDKGELV-AWEZNQCLSA-N 1 0 395.301 2.605 20 0 GFADRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)c1cc2ccc(Br)cc2c(=O)o1 ZINC000823133734 660362729 /nfs/dbraw/zinc/36/27/29/660362729.db2.gz QWOUDCMHQGDFMW-CYBMUJFWSA-N 1 0 379.254 2.722 20 0 GFADRO COCC[N@@H+]1CCC[C@H](NC(=O)c2cc3c(ccc(F)c3Br)[nH]2)C1 ZINC000823152097 660363123 /nfs/dbraw/zinc/36/31/23/660363123.db2.gz MLJWBNYCZKRFBH-NSHDSACASA-N 1 0 398.276 2.910 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)c1c(Br)nc2n1CCC2)c1cccs1 ZINC000823637433 660377227 /nfs/dbraw/zinc/37/72/27/660377227.db2.gz KPHIOFHDDAOVDC-SNVBAGLBSA-N 1 0 383.315 2.686 20 0 GFADRO C[NH+]1CCC(N(CCO)C(=O)C/C=C/c2ccc(Br)cc2)CC1 ZINC000824157867 660386427 /nfs/dbraw/zinc/38/64/27/660386427.db2.gz KIPHHZIQSZJKDI-NSCUHMNNSA-N 1 0 381.314 2.768 20 0 GFADRO CC(C)[C@H](CNC(=O)OC(C)(C)C)C[N@@H+]1CCC[C@@H](CS(C)(=O)=O)C1 ZINC000824433694 660391881 /nfs/dbraw/zinc/39/18/81/660391881.db2.gz MYAPSBDWCYUGGL-HZPDHXFCSA-N 1 0 376.563 2.540 20 0 GFADRO C[C@@H](C[C@H](C)[NH2+]C1CCC(CS(C)(=O)=O)CC1)NC(=O)OC(C)(C)C ZINC000824533536 660396217 /nfs/dbraw/zinc/39/62/17/660396217.db2.gz HDLPLMRFBVSEEA-FXQLRMTLSA-N 1 0 376.563 2.871 20 0 GFADRO CC(C)(C)OC(=O)NC(C)(C)C[NH2+]CCn1cc(Br)ccc1=O ZINC000824543193 660396421 /nfs/dbraw/zinc/39/64/21/660396421.db2.gz GKTMQJUFUAVNLZ-UHFFFAOYSA-N 1 0 388.306 2.504 20 0 GFADRO CC[NH+](CC)CCN(C(=O)c1cn(C)c(=O)[nH]1)c1cccc(Br)c1 ZINC000824906311 660404891 /nfs/dbraw/zinc/40/48/91/660404891.db2.gz NGRQHJCTNZJOCN-UHFFFAOYSA-N 1 0 395.301 2.877 20 0 GFADRO O[C@H](C[NH2+]Cc1cnc(C2OCCO2)s1)c1ccccc1Br ZINC000825344731 660422276 /nfs/dbraw/zinc/42/22/76/660422276.db2.gz XNSFWJFJEFVZOJ-CYBMUJFWSA-N 1 0 385.283 2.774 20 0 GFADRO Cn1nc(C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)cc1Br ZINC000825411267 660426071 /nfs/dbraw/zinc/42/60/71/660426071.db2.gz NKMWGOFVONWGJH-UHFFFAOYSA-N 1 0 391.313 2.825 20 0 GFADRO O=C(OCC[NH+]1CCCCC1)c1cc(I)ccc1O ZINC000825453231 660428475 /nfs/dbraw/zinc/42/84/75/660428475.db2.gz UXHOWVYPFLLNID-UHFFFAOYSA-N 1 0 375.206 2.640 20 0 GFADRO O=C(c1c(Br)nc2n1CCC2)N1CC[NH+](CC2CCCCC2)CC1 ZINC000825472327 660429006 /nfs/dbraw/zinc/42/90/06/660429006.db2.gz MAFDDALBEBRRCE-UHFFFAOYSA-N 1 0 395.345 2.930 20 0 GFADRO Cn1nc(C(=O)Nc2cccc(C[NH+]3CCSCC3)c2)cc1Br ZINC000825517283 660431736 /nfs/dbraw/zinc/43/17/36/660431736.db2.gz RTLGSNBFQQEGGC-UHFFFAOYSA-N 1 0 395.326 2.984 20 0 GFADRO C[NH+](C)CCN(C(=O)c1c(Br)nc2n1CCC2)C1CCCCC1 ZINC000825835221 660443319 /nfs/dbraw/zinc/44/33/19/660443319.db2.gz CREJPMRZFQZRDS-UHFFFAOYSA-N 1 0 383.334 2.928 20 0 GFADRO COCCc1ccc(OC[C@@H](C)[NH2+]CCn2cc(Br)cn2)cc1 ZINC000825892458 660445137 /nfs/dbraw/zinc/44/51/37/660445137.db2.gz FVFBYMKGMBWMHB-CQSZACIVSA-N 1 0 382.302 2.892 20 0 GFADRO O=C(Nc1cccc(C2SCCS2)c1)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000825973677 660446777 /nfs/dbraw/zinc/44/67/77/660446777.db2.gz NWKAZOAINGUUTG-CQSZACIVSA-N 1 0 375.523 2.761 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCOc4ccc(Br)cc43)CC[C@@H]21 ZINC000827231894 660485402 /nfs/dbraw/zinc/48/54/02/660485402.db2.gz JHZWCJPFAIVQAQ-INWMFGNUSA-N 1 0 379.298 2.868 20 0 GFADRO Cc1cc(C(=O)N2CCC([NH+]3CCN(C)CC3)CC2)c(C)cc1Br ZINC000827445434 660495841 /nfs/dbraw/zinc/49/58/41/660495841.db2.gz PAAUVYDLZNWPKE-UHFFFAOYSA-N 1 0 394.357 2.918 20 0 GFADRO O=C(Cc1ccc(Br)cc1F)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000827494290 660499453 /nfs/dbraw/zinc/49/94/53/660499453.db2.gz IQFJNNBTYCKJCY-MRXNPFEDSA-N 1 0 399.304 2.890 20 0 GFADRO CC[C@H](C(=O)N1CC[C@@]2(C)[C@@H](C1)C2(Br)Br)[NH+](C)C ZINC000855322731 661984416 /nfs/dbraw/zinc/98/44/16/661984416.db2.gz PVLFKZCBBCCZGV-FOGDFJRCSA-N 1 0 382.140 2.681 20 0 GFADRO C[C@H](CNC(=O)c1cccc(SC(F)(F)F)c1)C[NH+]1CCN(C)CC1 ZINC000827537405 660501215 /nfs/dbraw/zinc/50/12/15/660501215.db2.gz APYQZLRJFZNTBP-CYBMUJFWSA-N 1 0 375.460 2.912 20 0 GFADRO C[NH+]1CCC(OCC(=O)N2CCc3cc(F)cc(Br)c3C2)CC1 ZINC000827695493 660509516 /nfs/dbraw/zinc/50/95/16/660509516.db2.gz ABEWCDZCSOHZTA-UHFFFAOYSA-N 1 0 385.277 2.584 20 0 GFADRO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1c(Br)nc2n1CCC2 ZINC000827867154 660520534 /nfs/dbraw/zinc/52/05/34/660520534.db2.gz UZSACOZYOXHICU-CYBMUJFWSA-N 1 0 391.313 2.842 20 0 GFADRO C[C@@]1(C[NH+]2CCN(CCNC(=O)c3ccccc3F)CC2)CC1(Cl)Cl ZINC000827866210 660520692 /nfs/dbraw/zinc/52/06/92/660520692.db2.gz IEPLEGQIVIUYEV-KRWDZBQOSA-N 1 0 388.314 2.757 20 0 GFADRO Cc1[nH]nc(Br)c1C(=O)N[C@H]1CC[N@H+](Cc2ccc(C)cc2)C1 ZINC000828315167 660543638 /nfs/dbraw/zinc/54/36/38/660543638.db2.gz SXUQHCGEEXFSRT-AWEZNQCLSA-N 1 0 377.286 2.793 20 0 GFADRO Brc1cnc(Br)c(NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000829010060 660578815 /nfs/dbraw/zinc/57/88/15/660578815.db2.gz BDTZDCXHHWQCEU-PHIMTYICSA-N 1 0 391.107 2.882 20 0 GFADRO C[C@]1(C[NH3+])CCN(C(=O)c2c(F)ccc(I)c2Cl)C1 ZINC000867973355 662590055 /nfs/dbraw/zinc/59/00/55/662590055.db2.gz XOEUYJVJHCNKRG-CYBMUJFWSA-N 1 0 396.631 2.895 20 0 GFADRO CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)CC[C@H]2CC2(Cl)Cl)CC1 ZINC000829796375 660614443 /nfs/dbraw/zinc/61/44/43/660614443.db2.gz ZJPQBLMVARCNAX-AWEZNQCLSA-N 1 0 392.371 2.703 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)Nc2nnc(-c3ccco3)s2)CC[C@H]1C(F)(F)F ZINC000625848773 652373459 /nfs/dbraw/zinc/37/34/59/652373459.db2.gz GTGYYCXTOVAQJF-RKDXNWHRSA-N 1 0 375.376 2.789 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)Nc2nnc(CC(F)(F)F)s2)CC[C@@H]1C(F)(F)F ZINC000625869542 652373770 /nfs/dbraw/zinc/37/37/70/652373770.db2.gz UPFJDDPNOYSWGK-BQBZGAKWSA-N 1 0 391.341 2.634 20 0 GFADRO CN(C)C(=O)O[C@@H]1CC[N@H+](C[C@H](O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000830488119 660659078 /nfs/dbraw/zinc/65/90/78/660659078.db2.gz SDZZJXJSVFJLAK-WCQYABFASA-N 1 0 377.268 2.506 20 0 GFADRO O=C(CC[C@@H]1CC1(Cl)Cl)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO ZINC000830550511 660663375 /nfs/dbraw/zinc/66/33/75/660663375.db2.gz XAMDYIFFMCHCPA-BBWFWOEESA-N 1 0 385.335 2.960 20 0 GFADRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2cnn(C(C)(C)C)c2Br)C1 ZINC000830577152 660665070 /nfs/dbraw/zinc/66/50/70/660665070.db2.gz PLMBQDHDHCCFGF-JSGCOSHPSA-N 1 0 383.334 2.957 20 0 GFADRO O=C(NC[C@@H]1CCC[C@H](C(F)(F)F)O1)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000830693751 660674133 /nfs/dbraw/zinc/67/41/33/660674133.db2.gz LBJCIOWWDXAABK-QLFBSQMISA-N 1 0 380.476 2.820 20 0 GFADRO Cc1ccccc1[C@@H]([C@H](C)NC(=O)c1cc(Br)n(C)n1)[NH+](C)C ZINC000830729435 660676304 /nfs/dbraw/zinc/67/63/04/660676304.db2.gz RIZIMGFDTCJLED-BLLLJJGKSA-N 1 0 379.302 2.912 20 0 GFADRO O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)Nc1ccc2cc(Br)ccc2c1 ZINC000831362484 660708844 /nfs/dbraw/zinc/70/88/44/660708844.db2.gz HHZGZLFOIPHRGZ-INIZCTEOSA-N 1 0 390.281 2.799 20 0 GFADRO O=S(=O)(NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)c1c[nH]nc1Cl ZINC000831597874 660714377 /nfs/dbraw/zinc/71/43/77/660714377.db2.gz QZLHCPVYVCLAJK-HNNXBMFYSA-N 1 0 382.917 2.644 20 0 GFADRO C[C@H]1CN(C(=O)c2cnn(-c3ncccc3Cl)c2C(F)(F)Cl)CC[NH2+]1 ZINC000831611184 660714809 /nfs/dbraw/zinc/71/48/09/660714809.db2.gz JYVUSAGWOGBSPA-VIFPVBQESA-N 1 0 390.221 2.643 20 0 GFADRO C[N@@H+]1CCCC12CCN(C(=O)[C@@]1(C)CC1(Br)Br)CC2 ZINC000831623704 660716149 /nfs/dbraw/zinc/71/61/49/660716149.db2.gz CVDOEWQQAMXQRA-GFCCVEGCSA-N 1 0 394.151 2.969 20 0 GFADRO C[C@H](Sc1nc2ccccc2s1)C(=O)NC[C@H]1CCCC[N@@H+]1CCO ZINC000833559765 660808452 /nfs/dbraw/zinc/80/84/52/660808452.db2.gz WOLRRFFGTVLCGP-UONOGXRCSA-N 1 0 379.551 2.740 20 0 GFADRO Cn1nc2cc(Br)ccc2c1C(=O)NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000834765226 660832563 /nfs/dbraw/zinc/83/25/63/660832563.db2.gz RTVVJQLZZNQDQH-KRWDZBQOSA-N 1 0 399.292 2.953 20 0 GFADRO Cc1cc(Br)nc(NC(=O)C(=O)NCCC[NH+](C(C)C)C(C)C)c1 ZINC000835156510 660842717 /nfs/dbraw/zinc/84/27/17/660842717.db2.gz OMKJSMVTMJJTPK-UHFFFAOYSA-N 1 0 399.333 2.716 20 0 GFADRO O=C(NC/C=C/c1ccc(Br)cc1)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000836282116 660898244 /nfs/dbraw/zinc/89/82/44/660898244.db2.gz KIJRAEWSNREMRW-JJVOZYGNSA-N 1 0 394.313 2.625 20 0 GFADRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)NC[C@H](O)c1ccccc1Br ZINC000836296123 660898604 /nfs/dbraw/zinc/89/86/04/660898604.db2.gz YQWSVMSIFNFNJM-CJNGLKHVSA-N 1 0 384.318 2.656 20 0 GFADRO Cc1c(Br)nccc1NC(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000836679454 660926744 /nfs/dbraw/zinc/92/67/44/660926744.db2.gz DRXHJXUIHPAQKW-HUUCEWRRSA-N 1 0 397.317 2.652 20 0 GFADRO C[C@@]1(CCNC(=O)N2CCC(C[NH+]3CCOCC3)CC2)CC1(Cl)Cl ZINC000836619612 660921576 /nfs/dbraw/zinc/92/15/76/660921576.db2.gz MSIXHCRBBXDTAB-MRXNPFEDSA-N 1 0 378.344 2.714 20 0 GFADRO Cc1csc([C@](O)(CC(=O)NC(C)(C)CCC[NH+](C)C)C(F)(F)F)n1 ZINC000836856662 660950672 /nfs/dbraw/zinc/95/06/72/660950672.db2.gz SSNHQQFAQZKYAF-OAHLLOKOSA-N 1 0 381.464 2.828 20 0 GFADRO O=C(COc1ccc(Br)cc1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000008121785 654479429 /nfs/dbraw/zinc/47/94/29/654479429.db2.gz KAGSFYXVBJOVNX-UHFFFAOYSA-N 1 0 376.254 2.572 20 0 GFADRO O=C(NC1CC[NH+](C2CCC2)CC1)c1cn2c(Br)cnc2s1 ZINC000837040583 660967222 /nfs/dbraw/zinc/96/72/22/660967222.db2.gz FOFAEPQEUOVMGG-UHFFFAOYSA-N 1 0 383.315 2.905 20 0 GFADRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)CN2CCSC2=O)CC1 ZINC000015610114 654511482 /nfs/dbraw/zinc/51/14/82/654511482.db2.gz JCOPNTROBFGPLK-UHFFFAOYSA-N 1 0 382.917 2.589 20 0 GFADRO C[C@H]1CN(C(=O)c2cc(Br)nn2C)CC[N@H+](Cc2ccccc2)C1 ZINC000836920777 660957591 /nfs/dbraw/zinc/95/75/91/660957591.db2.gz VMVSOEIUOXGJHD-CQSZACIVSA-N 1 0 391.313 2.777 20 0 GFADRO CSc1ccc(Cl)c(C(=O)OCC(=O)NC2CC[NH+](C3CC3)CC2)c1 ZINC000028176368 654570873 /nfs/dbraw/zinc/57/08/73/654570873.db2.gz LAFZOMCHMMEYMG-UHFFFAOYSA-N 1 0 382.913 2.962 20 0 GFADRO O=C(CCNC(=O)c1ccc(Br)cc1)NCC[NH+]1CCCCCC1 ZINC000030001363 654581670 /nfs/dbraw/zinc/58/16/70/654581670.db2.gz ZXMUHPRMZJWWIJ-UHFFFAOYSA-N 1 0 396.329 2.561 20 0 GFADRO C[N@H+](CCC(=O)Nc1ccc(C(N)=O)cc1)Cc1ccc(Br)o1 ZINC000030217462 654583738 /nfs/dbraw/zinc/58/37/38/654583738.db2.gz ALXBUSIYBFYTQS-UHFFFAOYSA-N 1 0 380.242 2.602 20 0 GFADRO COC(=O)c1sccc1S(=O)(=O)NC[C@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000030422181 654586804 /nfs/dbraw/zinc/58/68/04/654586804.db2.gz RJKCUDSWZDUORI-CQSZACIVSA-N 1 0 388.555 2.570 20 0 GFADRO C[C@H](C[NH+]1CCCCC1)NC(=O)CCN1C(=S)N=NC1c1cccs1 ZINC000032658902 654607301 /nfs/dbraw/zinc/60/73/01/654607301.db2.gz YKTNEXFSWFEGPO-CYBMUJFWSA-N 1 0 379.555 2.676 20 0 GFADRO O=C(c1cccc(I)c1)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000037917265 654616330 /nfs/dbraw/zinc/61/63/30/654616330.db2.gz VWNRHUOZTWDOAE-DZGCQCFKSA-N 1 0 384.261 2.895 20 0 GFADRO Cc1csc([C@](O)(CC(=O)NC(C)(C)C[NH+]2CCCC2)C(F)(F)F)n1 ZINC000837172772 660975478 /nfs/dbraw/zinc/97/54/78/660975478.db2.gz RFWNYPDBGIOLMM-OAHLLOKOSA-N 1 0 379.448 2.582 20 0 GFADRO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000041604758 654627831 /nfs/dbraw/zinc/62/78/31/654627831.db2.gz VXRQCYURIHOEFB-SNVBAGLBSA-N 1 0 377.819 2.726 20 0 GFADRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)C(=O)Nc2cccc(Br)c2)C1 ZINC000041728956 654630243 /nfs/dbraw/zinc/63/02/43/654630243.db2.gz FGILSSRJKIZRKR-KBPBESRZSA-N 1 0 396.329 2.872 20 0 GFADRO CCCNC(=O)C1CC[NH+](C[C@@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000042761039 654643814 /nfs/dbraw/zinc/64/38/14/654643814.db2.gz FWZGBDMUOPGSKK-OAHLLOKOSA-N 1 0 389.323 2.971 20 0 GFADRO CC[NH+]1CCC(CNS(=O)(=O)c2ccc(Br)c(C)c2)CC1 ZINC000044411856 654657925 /nfs/dbraw/zinc/65/79/25/654657925.db2.gz CPSNGXMIFUNXSE-UHFFFAOYSA-N 1 0 375.332 2.768 20 0 GFADRO O=C(NC1CC[NH+](C2CC2)CC1)N1CCN(Cc2ccc(Cl)s2)CC1 ZINC000045410477 654668279 /nfs/dbraw/zinc/66/82/79/654668279.db2.gz BXZVMRHZQZKCLP-UHFFFAOYSA-N 1 0 382.961 2.856 20 0 GFADRO O=C(NCCC[NH+]1CCCCCC1)c1c(Br)nc2n1CCCC2 ZINC000837318482 660986203 /nfs/dbraw/zinc/98/62/03/660986203.db2.gz USHZMLFNLLXRKA-UHFFFAOYSA-N 1 0 383.334 2.978 20 0 GFADRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1c(Br)nc2n1CCCC2 ZINC000837362739 660989280 /nfs/dbraw/zinc/98/92/80/660989280.db2.gz LBEXMDKNXSXHQK-OLZOCXBDSA-N 1 0 383.334 2.832 20 0 GFADRO CN(C[C@H](O)c1ccccc1Br)C(=O)NCCC[NH+]1CCCCC1 ZINC000837387303 660991866 /nfs/dbraw/zinc/99/18/66/660991866.db2.gz CALHHLIVKGZZFV-KRWDZBQOSA-N 1 0 398.345 3.000 20 0 GFADRO Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH2+]CCCN(C)S(C)(=O)=O ZINC000048711930 654711948 /nfs/dbraw/zinc/71/19/48/654711948.db2.gz XKPJCTWTABLYAL-UHFFFAOYSA-N 1 0 384.933 2.514 20 0 GFADRO C[NH+](C)C1(CNC(=O)C(=O)Nc2ccccc2Br)CCCCC1 ZINC000048721634 654711960 /nfs/dbraw/zinc/71/19/60/654711960.db2.gz IZRDLACRHFCHQK-UHFFFAOYSA-N 1 0 382.302 2.768 20 0 GFADRO C[C@@H](CCNC(=O)c1c(Br)nc2n1CCCC2)[NH+]1CCCCC1 ZINC000837530630 661003886 /nfs/dbraw/zinc/00/38/86/661003886.db2.gz ZBTIIVCTYFIIKI-ZDUSSCGKSA-N 1 0 383.334 2.976 20 0 GFADRO CCC[N@@H+](CC(=O)Nc1ccc(Cl)cc1Cl)C[C@H](O)Cn1cccn1 ZINC000051594180 654726367 /nfs/dbraw/zinc/72/63/67/654726367.db2.gz JTVVLTZWCYVAAO-AWEZNQCLSA-N 1 0 385.295 2.902 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CNC(=S)Nc1ccc(NS(=O)(=O)CC)c(C)c1 ZINC000054984217 654766727 /nfs/dbraw/zinc/76/67/27/654766727.db2.gz DIQHPWHOOQHOIJ-HNNXBMFYSA-N 1 0 384.571 2.527 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)CN1C(=S)N=NC1c1cccs1 ZINC000055193567 654770633 /nfs/dbraw/zinc/77/06/33/654770633.db2.gz XXQZBXVVSOWWJM-CYBMUJFWSA-N 1 0 379.555 2.676 20 0 GFADRO O=C(c1cc2c(c(Br)c1)OCO2)N1CC[NH+](C2CCCC2)CC1 ZINC000055216177 654771316 /nfs/dbraw/zinc/77/13/16/654771316.db2.gz DVJXYWLUKMUQEC-UHFFFAOYSA-N 1 0 381.270 2.878 20 0 GFADRO COc1ccc(Br)c(S(=O)(=O)N[C@@H](C[NH3+])C2CCCCC2)c1 ZINC000124247840 654772596 /nfs/dbraw/zinc/77/25/96/654772596.db2.gz AVKXUENNORVXLS-AWEZNQCLSA-N 1 0 391.331 2.644 20 0 GFADRO CC(C)CO[C@H]1CC[N@H+](Cn2nc(Br)c(=O)c3ccccc32)C1 ZINC000124307364 654774068 /nfs/dbraw/zinc/77/40/68/654774068.db2.gz YKTCHHXGTDNWEM-ZDUSSCGKSA-N 1 0 380.286 2.863 20 0 GFADRO CC[NH+]1CCN([C@@H](C)CNC(=O)c2cc3c(cccc3Br)[nH]2)CC1 ZINC000124620800 654779798 /nfs/dbraw/zinc/77/97/98/654779798.db2.gz AZYSUIQJEOYDHM-ZDUSSCGKSA-N 1 0 393.329 2.686 20 0 GFADRO C[C@H]1C[C@H](N(C)C(=O)c2ccc(I)c(F)c2)CC[N@@H+]1C ZINC000124619829 654779819 /nfs/dbraw/zinc/77/98/19/654779819.db2.gz QIYBVGSXLRSVIC-CMPLNLGQSA-N 1 0 390.240 2.985 20 0 GFADRO O=C(CC[NH+]1CCN(Cc2ccsc2)CC1)N1CCc2sccc2C1 ZINC000055900016 654783199 /nfs/dbraw/zinc/78/31/99/654783199.db2.gz FDGNHKWHDUCAEU-UHFFFAOYSA-N 1 0 375.563 2.902 20 0 GFADRO CCN1CC[NH+](CCCCNC(=O)c2cc(C)cc(Br)c2)CC1 ZINC000124950165 654784390 /nfs/dbraw/zinc/78/43/90/654784390.db2.gz OEJRFTJYRZMYHM-UHFFFAOYSA-N 1 0 382.346 2.905 20 0 GFADRO Cc1ccccc1C[NH+]1CCC(NS(=O)(=O)c2ccc(Cl)nc2)CC1 ZINC000056093776 654787927 /nfs/dbraw/zinc/78/79/27/654787927.db2.gz QGBRXCOLPGWXOR-UHFFFAOYSA-N 1 0 379.913 2.986 20 0 GFADRO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]C[C@]1(CCO)CCOC1 ZINC000125463974 654795350 /nfs/dbraw/zinc/79/53/50/654795350.db2.gz QAEYNLBMUAGUPN-DYVFJYSZSA-N 1 0 385.302 2.545 20 0 GFADRO Cc1cc(NC(=O)CC[N@@H+](C)[C@H](CO)c2cccc(Br)c2)no1 ZINC000125608188 654799342 /nfs/dbraw/zinc/79/93/42/654799342.db2.gz NRLNAKVCRLRZLZ-CQSZACIVSA-N 1 0 382.258 2.740 20 0 GFADRO CC[NH+]1CCN([C@H](C)CNC(=O)c2cc(Cl)cc(Br)c2)CC1 ZINC000126018472 654806634 /nfs/dbraw/zinc/80/66/34/654806634.db2.gz WCTXNIFHGIYSNI-GFCCVEGCSA-N 1 0 388.737 2.858 20 0 GFADRO C[C@H]1C[NH2+]CCN1C(=O)c1ccc(NC(=O)c2ccc(Br)o2)cc1 ZINC000126034464 654807454 /nfs/dbraw/zinc/80/74/54/654807454.db2.gz SPJZOJRFUDFQNH-NSHDSACASA-N 1 0 392.253 2.728 20 0 GFADRO C[C@@H](CNC(=O)[C@H]1CCN(c2cc(Cl)ccc2Cl)C1=O)[N@H+](C)C1CC1 ZINC000057702190 654808535 /nfs/dbraw/zinc/80/85/35/654808535.db2.gz NFTVASPFTRBDLU-SMDDNHRTSA-N 1 0 384.307 2.945 20 0 GFADRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)Cc1ccc(Br)c(F)c1 ZINC000126148404 654809009 /nfs/dbraw/zinc/80/90/09/654809009.db2.gz YZNWEMRUSJOSPV-AWEZNQCLSA-N 1 0 387.293 2.700 20 0 GFADRO O=C(NCc1ccc(O)c(Br)c1)N1CCC([NH+]2CCCC2)CC1 ZINC000126238841 654811117 /nfs/dbraw/zinc/81/11/17/654811117.db2.gz SVHITVNFADFYKA-UHFFFAOYSA-N 1 0 382.302 2.925 20 0 GFADRO Cc1ccc(Br)c(S(=O)(=O)N2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000126252593 654811555 /nfs/dbraw/zinc/81/15/55/654811555.db2.gz VXZWXNQEGNXYHQ-UHFFFAOYSA-N 1 0 396.310 2.663 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)Nc1ccc(CS(C)(=O)=O)cc1)c1cccs1 ZINC000058461431 654817988 /nfs/dbraw/zinc/81/79/88/654817988.db2.gz PWXZOTYBHHOWAM-HNNXBMFYSA-N 1 0 381.523 2.717 20 0 GFADRO C[C@H](CCS(C)(=O)=O)[NH2+][C@H](C)c1ccc(I)cc1 ZINC000127403228 654829152 /nfs/dbraw/zinc/82/91/52/654829152.db2.gz RQQSHMCQYLBTNO-GHMZBOCLSA-N 1 0 381.279 2.765 20 0 GFADRO O=S(=O)(NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1ccc(F)c(Cl)c1 ZINC000127515724 654830911 /nfs/dbraw/zinc/83/09/11/654830911.db2.gz YYTHCCRPOVHALP-IRXDYDNUSA-N 1 0 390.908 2.525 20 0 GFADRO Cc1ccc(Br)c(S(=O)(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000127814063 654834683 /nfs/dbraw/zinc/83/46/83/654834683.db2.gz QZJNGFXUTXYABF-CHWSQXEVSA-N 1 0 375.332 2.861 20 0 GFADRO O=C(CNC(=O)c1ccsc1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000061637033 654841103 /nfs/dbraw/zinc/84/11/03/654841103.db2.gz KXDDYCOVMXJXQB-UHFFFAOYSA-N 1 0 375.519 2.665 20 0 GFADRO CC(C)(C)[N@@H+]1CCCN(C(=O)CN2C(=S)N=NC2c2cccs2)CC1 ZINC000063723487 654856826 /nfs/dbraw/zinc/85/68/26/654856826.db2.gz MQQZPBXLPQQAEC-UHFFFAOYSA-N 1 0 379.555 2.628 20 0 GFADRO C[C@H](CNC(=O)CN1C(=S)N=NC1c1cccs1)[N@@H+]1CCC[C@@H](C)C1 ZINC000063756285 654857342 /nfs/dbraw/zinc/85/73/42/654857342.db2.gz KFZYSCVOCMMSKY-CHWSQXEVSA-N 1 0 379.555 2.532 20 0 GFADRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)S(=O)(=O)c1ccc(OCC(F)(F)F)cc1 ZINC000266138722 654859011 /nfs/dbraw/zinc/85/90/11/654859011.db2.gz CLBLZISNYDPYQG-IUODEOHRSA-N 1 0 380.432 2.588 20 0 GFADRO CC[NH+](CC)C[C@@H]1CCN(S(=O)(=O)N(C)Cc2c(F)cccc2Cl)C1 ZINC000266333480 654873111 /nfs/dbraw/zinc/87/31/11/654873111.db2.gz TZEQEVBYORAXGD-AWEZNQCLSA-N 1 0 391.940 2.819 20 0 GFADRO O=C(Cc1ccccc1I)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000129853907 654874965 /nfs/dbraw/zinc/87/49/65/654874965.db2.gz IVMFFEZDGAKSSZ-AWEZNQCLSA-N 1 0 398.288 2.967 20 0 GFADRO Cn1cc(S(=O)(=O)NCc2ccccc2C[NH+]2CCCCC2)nc1Cl ZINC000129873035 654875807 /nfs/dbraw/zinc/87/58/07/654875807.db2.gz BLAXKZRNPLRHTQ-UHFFFAOYSA-N 1 0 382.917 2.538 20 0 GFADRO C[NH+](C)CCOc1cc(CNC(=O)Nc2cncc(Br)c2)ccn1 ZINC000130166826 654881865 /nfs/dbraw/zinc/88/18/65/654881865.db2.gz WNAIIDZLMWINBC-UHFFFAOYSA-N 1 0 394.273 2.501 20 0 GFADRO Cn1ncc2c1CCC[C@H]2[NH2+]CCNC(=O)c1ccc(Br)cc1 ZINC000130168887 654882025 /nfs/dbraw/zinc/88/20/25/654882025.db2.gz XERCTDYYQBRPFI-OAHLLOKOSA-N 1 0 377.286 2.580 20 0 GFADRO Cc1ccc(S(=O)(=O)N(C)C2CC[NH+](C3CCOCC3)CC2)c(Cl)c1 ZINC000066103541 654894756 /nfs/dbraw/zinc/89/47/56/654894756.db2.gz FVDLOAGZWIUHJO-UHFFFAOYSA-N 1 0 386.945 2.912 20 0 GFADRO O=c1oc2cc(Br)ccc2n1CN1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000131347815 654902952 /nfs/dbraw/zinc/90/29/52/654902952.db2.gz VEDPUSODIMDFJS-ZDUSSCGKSA-N 1 0 380.286 2.732 20 0 GFADRO O=C(NCCCC[N@H+]1CCC[C@H]1CO)c1[nH]c2ccccc2c1Br ZINC000131435976 654906824 /nfs/dbraw/zinc/90/68/24/654906824.db2.gz XJFYLAYVWQRJBX-ZDUSSCGKSA-N 1 0 394.313 2.897 20 0 GFADRO O=C(NCCCC[N@H+]1CCC[C@@H]1CO)c1cc2cc(Br)ccc2[nH]1 ZINC000131641407 654912156 /nfs/dbraw/zinc/91/21/56/654912156.db2.gz CEWFLEYUPAFMQQ-OAHLLOKOSA-N 1 0 394.313 2.897 20 0 GFADRO C[NH+](C)CCCOc1cccc(NC(=O)c2cc(S(C)(=O)=O)cs2)c1 ZINC000131657094 654912551 /nfs/dbraw/zinc/91/25/51/654912551.db2.gz MWJZDODHIXZPGC-UHFFFAOYSA-N 1 0 382.507 2.734 20 0 GFADRO Cc1ccc(C)n1-c1nc(CC(=O)NC[C@@]2([NH+](C)C)CCSC2)cs1 ZINC000267160531 654914486 /nfs/dbraw/zinc/91/44/86/654914486.db2.gz YTPSZZLVJVVLEI-SFHVURJKSA-N 1 0 378.567 2.647 20 0 GFADRO C[C@@H](Sc1ccc(Br)cc1)C(=O)NCC1(O)CC[NH+](C)CC1 ZINC000267196293 654916524 /nfs/dbraw/zinc/91/65/24/654916524.db2.gz XLDHSRYYVLXSOT-GFCCVEGCSA-N 1 0 387.343 2.503 20 0 GFADRO O=S(=O)(/C=C/c1ccc(Br)cc1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000066918530 654921308 /nfs/dbraw/zinc/92/13/08/654921308.db2.gz FCOQXFPYGWGTIK-RCLKMUNOSA-N 1 0 385.327 2.920 20 0 GFADRO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(C(=O)Nc2cc(Cl)ccc2Cl)CC1 ZINC000131987865 654924261 /nfs/dbraw/zinc/92/42/61/654924261.db2.gz HWRDRBVBPWQDKZ-HNNXBMFYSA-N 1 0 385.295 2.939 20 0 GFADRO Cc1cc(NC(=O)C(=O)N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)ccc1Br ZINC000067398150 654937880 /nfs/dbraw/zinc/93/78/80/654937880.db2.gz UZJSCLVYVANYKH-GXTWGEPZSA-N 1 0 396.329 2.933 20 0 GFADRO C[C@@H](NC(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1)c1ccc(Br)cc1 ZINC000067582596 654941329 /nfs/dbraw/zinc/94/13/29/654941329.db2.gz WVUCQFQTNNZNHV-RHSMWYFYSA-N 1 0 398.345 2.902 20 0 GFADRO CC[NH+](CC)CCNC(=O)N1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000067589306 654941513 /nfs/dbraw/zinc/94/15/13/654941513.db2.gz ZHYZQEYFKAZPTD-INIZCTEOSA-N 1 0 384.318 2.874 20 0 GFADRO COCC[NH+]1CCC(NC(=O)c2c(F)cc(Br)cc2F)CC1 ZINC000267985228 654955019 /nfs/dbraw/zinc/95/50/19/654955019.db2.gz XPKRMZUOLWKYHT-UHFFFAOYSA-N 1 0 377.229 2.568 20 0 GFADRO C[C@H](Cn1cc(Br)cn1)[NH2+][C@H]1CC(=O)N(c2c(F)cccc2F)C1 ZINC000133341916 654961107 /nfs/dbraw/zinc/96/11/07/654961107.db2.gz ZXXCUHRLEQKAES-PWSUYJOCSA-N 1 0 399.239 2.707 20 0 GFADRO C[NH2+][C@@H]1CCCN(C(=O)c2cnn(-c3cccc(Br)c3)c2C)C1 ZINC000133375404 654962378 /nfs/dbraw/zinc/96/23/78/654962378.db2.gz ZHLFXGVSBSEEKL-CQSZACIVSA-N 1 0 377.286 2.767 20 0 GFADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C2(c3ccc(Br)cc3)CC2)C1 ZINC000068742199 654967005 /nfs/dbraw/zinc/96/70/05/654967005.db2.gz ALCYRCAFBUHACH-KRWDZBQOSA-N 1 0 395.341 2.954 20 0 GFADRO CC(C)[NH+]1CCC(O)(CNC(=O)[C@H](C)Oc2ccccc2Br)CC1 ZINC000268423339 654970740 /nfs/dbraw/zinc/97/07/40/654970740.db2.gz BMMITQQCDWMSEE-AWEZNQCLSA-N 1 0 399.329 2.568 20 0 GFADRO CC(C)[NH+]1CCC(O)(CNC(=O)CCc2ccc(Br)cc2)CC1 ZINC000268449381 654972206 /nfs/dbraw/zinc/97/22/06/654972206.db2.gz IASBWFHZGOHARY-UHFFFAOYSA-N 1 0 383.330 2.733 20 0 GFADRO CCO[C@H]1C[C@]([NH3+])(C(=O)Nc2ccc(I)cc2)C1(C)C ZINC000133888365 654976477 /nfs/dbraw/zinc/97/64/77/654976477.db2.gz JYAOHSRLJNWMKU-WFASDCNBSA-N 1 0 388.249 2.762 20 0 GFADRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)c1cc(I)ccc1F ZINC000268536809 654976950 /nfs/dbraw/zinc/97/69/50/654976950.db2.gz JOYDAKBJDNNOOD-JTQLQIEISA-N 1 0 388.224 2.644 20 0 GFADRO C[C@H]1CN(C(=O)NC[C@@H]2CSCCS2)CC[N@H+](Cc2ccccc2)C1 ZINC000838511614 661048231 /nfs/dbraw/zinc/04/82/31/661048231.db2.gz UGDDOANPCVIFSN-SJLPKXTDSA-N 1 0 379.595 2.999 20 0 GFADRO C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)CCS(C)(=O)=O ZINC000069298469 654979512 /nfs/dbraw/zinc/97/95/12/654979512.db2.gz CHMWXMMSEHLLDL-UHFFFAOYSA-N 1 0 395.352 2.708 20 0 GFADRO CN(CC[NH+]1CCCC1)C(=O)c1ccnc(Cl)c1I ZINC000134080594 654981977 /nfs/dbraw/zinc/98/19/77/654981977.db2.gz UDHBKYACQVWDOL-UHFFFAOYSA-N 1 0 393.656 2.507 20 0 GFADRO CC(C)C(=O)N1CCC[N@H+](C[C@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000069609036 654984157 /nfs/dbraw/zinc/98/41/57/654984157.db2.gz QDOOVYGARWHRQD-HNNXBMFYSA-N 1 0 389.323 2.923 20 0 GFADRO C[S@](=O)c1ccc(C(=O)NCC2([NH+]3CCSCC3)CCCCC2)cc1 ZINC000069789015 654986226 /nfs/dbraw/zinc/98/62/26/654986226.db2.gz QEIDOFDIQRTESY-RUZDIDTESA-N 1 0 380.579 2.906 20 0 GFADRO CCN(CC)C(=O)CCC[NH2+][C@H](C)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000268844103 654988908 /nfs/dbraw/zinc/98/89/08/654988908.db2.gz UZJLMFZHERPCGR-CYBMUJFWSA-N 1 0 376.469 2.982 20 0 GFADRO CCCOc1c(Br)cc(C[NH2+]C[C@@](C)(O)COC)cc1OC ZINC000069913020 654989248 /nfs/dbraw/zinc/98/92/48/654989248.db2.gz OFPHXIWINBMYKU-MRXNPFEDSA-N 1 0 376.291 2.734 20 0 GFADRO C[C@H]([NH2+]C1CCN(CC(F)(F)F)CC1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000268861659 654989433 /nfs/dbraw/zinc/98/94/33/654989433.db2.gz ROAGSKZXOALPPL-NSHDSACASA-N 1 0 382.423 2.907 20 0 GFADRO NC(=O)[C@@H]1CCCN1CCC[NH2+][C@@H]1CCCOc2cc(Br)ccc21 ZINC000268867792 654989440 /nfs/dbraw/zinc/98/94/40/654989440.db2.gz FRZAJEJZSDBPFQ-CVEARBPZSA-N 1 0 396.329 2.592 20 0 GFADRO CS(=O)(=O)c1ccc([C@@H](O)C[NH2+]Cc2cc(Br)cs2)cc1 ZINC000070213028 654992353 /nfs/dbraw/zinc/99/23/53/654992353.db2.gz LVPXZGBHEQZTQV-AWEZNQCLSA-N 1 0 390.324 2.737 20 0 GFADRO O=C(Nc1cnn(C2CC[NH2+]CC2)c1)c1cccc(I)c1 ZINC000070442957 654992652 /nfs/dbraw/zinc/99/26/52/654992652.db2.gz KIOIVSDIPJBGFX-UHFFFAOYSA-N 1 0 396.232 2.665 20 0 GFADRO O=C(NCc1cccc(Br)c1)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000268960854 654992877 /nfs/dbraw/zinc/99/28/77/654992877.db2.gz IOJUXLXZQBRKMA-SJORKVTESA-N 1 0 396.329 2.626 20 0 GFADRO CC[C@]1(C(=O)NCCC(=O)Nc2cc(Br)ccc2C)CCC[NH2+]1 ZINC000134462027 654993606 /nfs/dbraw/zinc/99/36/06/654993606.db2.gz VKVOVIMGXXDLMU-QGZVFWFLSA-N 1 0 382.302 2.735 20 0 GFADRO CCc1c(C(=O)N2CC[C@H]([NH2+]C)C2)cnn1-c1ccc(Br)cc1 ZINC000269118724 654998547 /nfs/dbraw/zinc/99/85/47/654998547.db2.gz IXPUMAFVOZSGGF-ZDUSSCGKSA-N 1 0 377.286 2.631 20 0 GFADRO CCCN([C@H]1CC[NH2+]C1)S(=O)(=O)c1ccc(Br)cc1Cl ZINC000071330345 654999667 /nfs/dbraw/zinc/99/96/67/654999667.db2.gz XYVYWKWRDTYNKM-NSHDSACASA-N 1 0 381.723 2.865 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000269233837 655002459 /nfs/dbraw/zinc/00/24/59/655002459.db2.gz WFZWSKBUVUSZDI-RBSFLKMASA-N 1 0 384.567 2.547 20 0 GFADRO C[C@H]1CN(C(=O)c2ccc(Cl)c(I)c2)CC[C@H]1[NH3+] ZINC000269240951 655002625 /nfs/dbraw/zinc/00/26/25/655002625.db2.gz CMUIMTYITJASQO-QPUJVOFHSA-N 1 0 378.641 2.754 20 0 GFADRO CS(=O)(=O)NCC[C@@H]1CCCC[N@@H+]1CCOc1ccc(F)cc1Cl ZINC000091733124 655009516 /nfs/dbraw/zinc/00/95/16/655009516.db2.gz MAPZUAHKKDWPOT-AWEZNQCLSA-N 1 0 378.897 2.652 20 0 GFADRO CN(C[C@H](O)c1ccccc1Br)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000838685355 661054412 /nfs/dbraw/zinc/05/44/12/661054412.db2.gz RLENKZCPJNFQRQ-PLTIAYLTSA-N 1 0 396.329 2.749 20 0 GFADRO Cc1ccc(NC(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c(Br)n1 ZINC000269495740 655011530 /nfs/dbraw/zinc/01/15/30/655011530.db2.gz MGKKITLRHDTNCP-CABCVRRESA-N 1 0 397.317 2.652 20 0 GFADRO CCC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2ccc3nc(Cl)cnc3c2)C1 ZINC000269496299 655011541 /nfs/dbraw/zinc/01/15/41/655011541.db2.gz JZQKEVGLAQKEAX-ZDUSSCGKSA-N 1 0 382.917 2.636 20 0 GFADRO C[C@@H](C(=O)N(C)C)[NH+]1CCC(C(=O)Nc2cccc(Br)c2)CC1 ZINC000269593755 655014478 /nfs/dbraw/zinc/01/44/78/655014478.db2.gz CWAXIFBWUYDGLO-LBPRGKRZSA-N 1 0 382.302 2.576 20 0 GFADRO COc1sc(CN2CC[NH+](C[C@H]3CCOC3)CC2)cc1Br ZINC000093817500 655021226 /nfs/dbraw/zinc/02/12/26/655021226.db2.gz MBZOCZPIEXGDSO-GFCCVEGCSA-N 1 0 375.332 2.673 20 0 GFADRO CNC(=O)[C@@H](C)C[N@H+](C)Cc1cc(Br)c(OC(F)F)c(OC)c1 ZINC000093898601 655021562 /nfs/dbraw/zinc/02/15/62/655021562.db2.gz XDCCWVMVFLABCX-VIFPVBQESA-N 1 0 395.244 2.873 20 0 GFADRO O=S(=O)(c1c[nH]c2nccc(Cl)c12)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000093911381 655023085 /nfs/dbraw/zinc/02/30/85/655023085.db2.gz QRYIZPYWVHSKOP-CYBMUJFWSA-N 1 0 382.917 2.855 20 0 GFADRO O=S(=O)(N1CCC([NH2+][C@H]2CCc3c2c(F)ccc3F)CC1)C(F)(F)F ZINC000269853851 655024938 /nfs/dbraw/zinc/02/49/38/655024938.db2.gz PYHRQOKFAVWUGM-ZDUSSCGKSA-N 1 0 384.370 2.856 20 0 GFADRO O=C(NCCC[NH+]1CCC(O)CC1)c1cc2cc(Br)ccc2o1 ZINC000136141154 655028107 /nfs/dbraw/zinc/02/81/07/655028107.db2.gz IBLZZAMMMJCVRS-UHFFFAOYSA-N 1 0 381.270 2.772 20 0 GFADRO O=C(CCOc1ccc(Cl)c(Cl)c1)NCCC[NH+]1CCC(O)CC1 ZINC000136136018 655028117 /nfs/dbraw/zinc/02/81/17/655028117.db2.gz KBXSPZSFVGBGJV-UHFFFAOYSA-N 1 0 375.296 2.725 20 0 GFADRO O=C(c1ccc(Cl)c(Br)c1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000269944834 655028422 /nfs/dbraw/zinc/02/84/22/655028422.db2.gz LZTBZYLZHCHSOP-LBPRGKRZSA-N 1 0 387.705 2.897 20 0 GFADRO CN1C(=O)C[C@@H]([NH2+]Cc2cc(C(N)=O)cs2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000270010947 655031022 /nfs/dbraw/zinc/03/10/22/655031022.db2.gz UMBPNWPXVQSJBP-GDBMZVCRSA-N 1 0 381.860 2.701 20 0 GFADRO C[C@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1ccc(F)cc1Br ZINC000096997265 655032781 /nfs/dbraw/zinc/03/27/81/655032781.db2.gz DNHKCMIXJRZPDE-NSHDSACASA-N 1 0 379.295 2.741 20 0 GFADRO C[NH+](C)C1(CNS(=O)(=O)c2ccc(Br)cc2Cl)CCC1 ZINC000097935675 655038255 /nfs/dbraw/zinc/03/82/55/655038255.db2.gz XKCKLZYTODCUPI-UHFFFAOYSA-N 1 0 381.723 2.865 20 0 GFADRO Cc1cc(C(=O)N2CCC([N@H+](C)CCCO)CC2)c(Br)s1 ZINC000270391874 655043090 /nfs/dbraw/zinc/04/30/90/655043090.db2.gz SLSHRNDBMLVDRY-UHFFFAOYSA-N 1 0 375.332 2.738 20 0 GFADRO Cc1ccc(-n2cnnc2SCC(=O)NC[C@@H]2CCC[N@H+]2C)cc1Cl ZINC000139160888 655043890 /nfs/dbraw/zinc/04/38/90/655043890.db2.gz SCICFGQTUBZVAI-AWEZNQCLSA-N 1 0 379.917 2.532 20 0 GFADRO C[NH+](C)CCn1cc(NC(=O)Nc2cccc(I)c2)cn1 ZINC000139180946 655044179 /nfs/dbraw/zinc/04/41/79/655044179.db2.gz URJNETOAGJCARE-UHFFFAOYSA-N 1 0 399.236 2.693 20 0 GFADRO CCC[N@@H+]1CC[C@@H](CNC(=O)NCc2ccc(OC)c(Br)c2)C1 ZINC000101749233 655046817 /nfs/dbraw/zinc/04/68/17/655046817.db2.gz WPSKJUPDSWYODB-AWEZNQCLSA-N 1 0 384.318 2.989 20 0 GFADRO CC(C)C(=O)NC[C@@H]1CCC[N@H+](C[C@H](O)c2cccc(Br)c2)C1 ZINC000101910957 655048382 /nfs/dbraw/zinc/04/83/82/655048382.db2.gz KHUNJBVBIDHCAP-YOEHRIQHSA-N 1 0 383.330 2.967 20 0 GFADRO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)CCn1cc(Br)ccc1=O ZINC000101961150 655049127 /nfs/dbraw/zinc/04/91/27/655049127.db2.gz GCRMDXCYMCGZPT-INIZCTEOSA-N 1 0 398.345 2.772 20 0 GFADRO CS[C@@H]1CN(C(=O)c2cc(Br)cnc2Cl)C[C@H]1[NH+](C)C ZINC000270590106 655049915 /nfs/dbraw/zinc/04/99/15/655049915.db2.gz BMECZMAJBDXRGW-GHMZBOCLSA-N 1 0 378.723 2.615 20 0 GFADRO CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)C1 ZINC000270594785 655050083 /nfs/dbraw/zinc/05/00/83/655050083.db2.gz JMEFMZNSVZSCJQ-NORZTCDRSA-N 1 0 388.892 2.530 20 0 GFADRO C[C@H]([NH2+]CCC(=O)N1CCCC1)c1cc2c(cc1Br)OCCO2 ZINC000838917514 661063417 /nfs/dbraw/zinc/06/34/17/661063417.db2.gz OUIDVNLSUYMIND-LBPRGKRZSA-N 1 0 383.286 2.883 20 0 GFADRO CCC[N@H+](C[C@H](C)CS(C)(=O)=O)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000152629379 655060398 /nfs/dbraw/zinc/06/03/98/655060398.db2.gz JSPYXPNHEKNYHJ-HNNXBMFYSA-N 1 0 376.563 2.779 20 0 GFADRO O=C(C[NH+]1CCCC1)N1CCN(C(=O)c2cc(F)c(Cl)cc2Cl)CC1 ZINC000103122976 655067179 /nfs/dbraw/zinc/06/71/79/655067179.db2.gz AQUSFHFWDDGQNK-UHFFFAOYSA-N 1 0 388.270 2.513 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)N[C@H](CO)c2ccc(Br)cc2)C1 ZINC000271145917 655067826 /nfs/dbraw/zinc/06/78/26/655067826.db2.gz PIEATYNCTCMNSQ-ARFHVFGLSA-N 1 0 384.318 2.655 20 0 GFADRO C[NH+]1CCC(NC(=O)CSc2nnc(-c3cccs3)n2C2CC2)CC1 ZINC000103205631 655069145 /nfs/dbraw/zinc/06/91/45/655069145.db2.gz SNRUBIQJTIGDKY-UHFFFAOYSA-N 1 0 377.539 2.644 20 0 GFADRO C[NH+]1CCC(CCNC(=O)NCCOc2ccc(Br)cc2)CC1 ZINC000103311414 655070820 /nfs/dbraw/zinc/07/08/20/655070820.db2.gz WPRXDOYVTJQOSV-UHFFFAOYSA-N 1 0 384.318 2.859 20 0 GFADRO COc1cc(C(=O)N(C)CC2CC[NH+](C)CC2)cc(OC)c1Br ZINC000103453007 655072578 /nfs/dbraw/zinc/07/25/78/655072578.db2.gz XHBAOSFPMHJSFD-UHFFFAOYSA-N 1 0 385.302 2.880 20 0 GFADRO COc1ccc([C@@H](C[NH+]2CCCC2)NC(=O)CSc2nncs2)cc1 ZINC000271426952 655081018 /nfs/dbraw/zinc/08/10/18/655081018.db2.gz ZREPXIJJQBNXQV-OAHLLOKOSA-N 1 0 378.523 2.592 20 0 GFADRO C[NH+](C)C1(CNC(=O)C(=O)Nc2cccnc2Br)CCCCCC1 ZINC000271561686 655085615 /nfs/dbraw/zinc/08/56/15/655085615.db2.gz MXAALGWBXAFZNX-UHFFFAOYSA-N 1 0 397.317 2.553 20 0 GFADRO C[NH+](C)[C@@H]1CCCN(C(=O)C2CCN(C(=O)c3ccc(Cl)s3)CC2)C1 ZINC000105326472 655090783 /nfs/dbraw/zinc/09/07/83/655090783.db2.gz LXCFPAPCFKBEMP-CQSZACIVSA-N 1 0 383.945 2.806 20 0 GFADRO CC[NH+]1CCC(NC(=O)Nc2ccc(Br)c(C(=O)OC)c2)CC1 ZINC000271675499 655090916 /nfs/dbraw/zinc/09/09/16/655090916.db2.gz HICZPGOYKDGQEO-UHFFFAOYSA-N 1 0 384.274 2.842 20 0 GFADRO C[C@H]([NH2+]C[C@@H](c1ccccc1Cl)N(C)C)c1cccc(S(N)(=O)=O)c1 ZINC000271854628 655096805 /nfs/dbraw/zinc/09/68/05/655096805.db2.gz MULNJVRBVYUZCI-UGSOOPFHSA-N 1 0 381.929 2.941 20 0 GFADRO CS[C@@H]1CN(Cc2nnc(-c3ccc(Br)o3)o2)C[C@H]1[NH+](C)C ZINC000271989042 655100216 /nfs/dbraw/zinc/10/02/16/655100216.db2.gz GAECXAGMQQKQGJ-MWLCHTKSSA-N 1 0 387.303 2.570 20 0 GFADRO Cc1ccc(C[NH2+][C@@H]2CCO[C@]3(CCS(=O)(=O)C3)C2)cc1Br ZINC000272092456 655102271 /nfs/dbraw/zinc/10/22/71/655102271.db2.gz TUOPKPSAANMYNG-GDBMZVCRSA-N 1 0 388.327 2.583 20 0 GFADRO COc1cc([C@H](C)NC[C@@H]2CCC[N@H+](C)C2)ccc1S(=O)(=O)C(F)F ZINC000158193533 655105546 /nfs/dbraw/zinc/10/55/46/655105546.db2.gz YKHZRBQWCYWDPI-STQMWFEESA-N 1 0 376.469 2.684 20 0 GFADRO C[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C1 ZINC000106364118 655107119 /nfs/dbraw/zinc/10/71/19/655107119.db2.gz HXXZBXUGIQUDGY-KGLIPLIRSA-N 1 0 384.307 2.899 20 0 GFADRO C[NH+](C)[C@@H]1CCCN(C(=O)CNC(=O)c2sc3ccccc3c2Cl)C1 ZINC000106364712 655107287 /nfs/dbraw/zinc/10/72/87/655107287.db2.gz VITBEHXIGJGHDS-GFCCVEGCSA-N 1 0 379.913 2.837 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC000106408400 655108460 /nfs/dbraw/zinc/10/84/60/655108460.db2.gz TUVRJRDHEFLGIP-MRXNPFEDSA-N 1 0 384.318 2.741 20 0 GFADRO CC[NH+](CC)[C@H]1CCN(C(=O)Nc2ccncc2I)C1 ZINC000272398192 655111336 /nfs/dbraw/zinc/11/13/36/655111336.db2.gz WWVUDGZRFRRPAT-NSHDSACASA-N 1 0 388.253 2.634 20 0 GFADRO C[NH+](C)[C@H]1CCCN(C(=O)c2cnn(-c3cccc(Br)c3)c2)C1 ZINC000106916120 655114692 /nfs/dbraw/zinc/11/46/92/655114692.db2.gz YFKNUYNOGXBGOQ-INIZCTEOSA-N 1 0 377.286 2.801 20 0 GFADRO COCCC[NH+]1CCC(NC(=O)c2[nH]nc(C(C)C)c2Br)CC1 ZINC000106915732 655114709 /nfs/dbraw/zinc/11/47/09/655114709.db2.gz GVYWINRMOUEXJP-UHFFFAOYSA-N 1 0 387.322 2.526 20 0 GFADRO C[NH+]1CCC(C)(CNC(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)CC1 ZINC000272521610 655115579 /nfs/dbraw/zinc/11/55/79/655115579.db2.gz LJAPPQFOVYAWNG-UHFFFAOYSA-N 1 0 375.441 2.536 20 0 GFADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc(F)c(I)c3)[C@H]2C1 ZINC000272587834 655116926 /nfs/dbraw/zinc/11/69/26/655116926.db2.gz WXZQWIGTBNHGJS-YGRLFVJLSA-N 1 0 388.224 2.597 20 0 GFADRO Cc1sc2ncnc(SCC(=O)N3CC[C@H]4CC[N@@H+](C)C[C@@H]43)c2c1C ZINC000272608933 655117175 /nfs/dbraw/zinc/11/71/75/655117175.db2.gz KAOYYXFWNMOFAT-KGLIPLIRSA-N 1 0 376.551 2.953 20 0 GFADRO CC[NH+]1CCN([C@H](C)CNC(=O)CCc2cc(Br)cs2)CC1 ZINC000107358207 655120407 /nfs/dbraw/zinc/12/04/07/655120407.db2.gz ZSPDYZMWDGHDPM-CYBMUJFWSA-N 1 0 388.375 2.585 20 0 GFADRO CC(C)Cc1nnc(NC(=O)C[NH2+][C@@H](C)c2ccc([S@](C)=O)cc2)s1 ZINC000272903309 655124649 /nfs/dbraw/zinc/12/46/49/655124649.db2.gz GNXSGOBMCZMSBG-VDBVYFBLSA-N 1 0 380.539 2.763 20 0 GFADRO CC[N@@H+]1CC[C@@H](CNC(=O)c2cnc(Sc3nccn3C)c(Cl)c2)C1 ZINC000107887885 655125915 /nfs/dbraw/zinc/12/59/15/655125915.db2.gz VVWIUSRCMCQLPT-LBPRGKRZSA-N 1 0 379.917 2.691 20 0 GFADRO OC[C@H]([NH2+]C[C@H](O)COc1ccc(F)cc1)c1ccc(Br)cc1 ZINC000272971879 655126914 /nfs/dbraw/zinc/12/69/14/655126914.db2.gz CHFPDFHJDYJINZ-RDJZCZTQSA-N 1 0 384.245 2.651 20 0 GFADRO O=C(CCc1ncc(-c2ccccc2Br)o1)NC[C@H]1CC[NH2+]C1 ZINC000272995182 655127417 /nfs/dbraw/zinc/12/74/17/655127417.db2.gz GICGKKIUUVXOLD-LBPRGKRZSA-N 1 0 378.270 2.762 20 0 GFADRO O=S(=O)(N[C@H]1CC[N@H+](CC2CC2)C1)c1cc(Br)ccc1Cl ZINC000108403907 655131903 /nfs/dbraw/zinc/13/19/03/655131903.db2.gz GFPKEYFCXWPFIL-LBPRGKRZSA-N 1 0 393.734 2.865 20 0 GFADRO CC[N@H+](CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1)[C@@H](C)CS(=O)(=O)CC ZINC000839493873 661087080 /nfs/dbraw/zinc/08/70/80/661087080.db2.gz YMCDNSHKTPNYPL-JKSUJKDBSA-N 1 0 376.563 2.779 20 0 GFADRO OC[C@H]1CCC[N@@H+]1Cc1ccccc1CNc1ncc(Br)cn1 ZINC000273188301 655134533 /nfs/dbraw/zinc/13/45/33/655134533.db2.gz MQDZEPQZQPQJEG-MRXNPFEDSA-N 1 0 377.286 2.808 20 0 GFADRO COc1cc([C@@H](C)[NH2+]C[C@H](C2CC2)N(C)C)ccc1S(=O)(=O)C(F)F ZINC000166277946 655141600 /nfs/dbraw/zinc/14/16/00/655141600.db2.gz VKMKZYUONBKFRY-BXUZGUMPSA-N 1 0 376.469 2.682 20 0 GFADRO C[C@H]1CN(CCCC[NH2+]Cc2c(Cl)cccc2S(C)(=O)=O)C[C@H](C)O1 ZINC000273480499 655144957 /nfs/dbraw/zinc/14/49/57/655144957.db2.gz SNQCUQSLYGKDIF-GJZGRUSLSA-N 1 0 388.961 2.723 20 0 GFADRO C[C@@H](C1CC[NH+](C)CC1)N(C)S(=O)(=O)Cc1ccc(Br)cc1 ZINC000273523209 655146552 /nfs/dbraw/zinc/14/65/52/655146552.db2.gz OTDNPFYHTGCCIU-ZDUSSCGKSA-N 1 0 389.359 2.941 20 0 GFADRO Cc1cc(Br)cn2cc(CC[NH2+]Cc3cnc(N(C)C)nc3)nc12 ZINC000273540433 655147377 /nfs/dbraw/zinc/14/73/77/655147377.db2.gz WWPLKYUHYJTILL-UHFFFAOYSA-N 1 0 389.301 2.594 20 0 GFADRO CC[NH+]1CCC(NC(=O)c2ncc(Br)cc2Br)CC1 ZINC000273608860 655150624 /nfs/dbraw/zinc/15/06/24/655150624.db2.gz XQZYOAPHBZNGHL-UHFFFAOYSA-N 1 0 391.107 2.821 20 0 GFADRO C[C@@H](CNS(=O)(=O)c1cc(Br)ccc1F)[N@@H+]1CCC[C@@H](C)C1 ZINC000109817527 655152687 /nfs/dbraw/zinc/15/26/87/655152687.db2.gz UNSORCONDPLJFH-NEPJUHHUSA-N 1 0 393.322 2.987 20 0 GFADRO COC1CC[NH+](CCNC(=O)Nc2ccc(SC(F)(F)F)nc2)CC1 ZINC000839180514 661075269 /nfs/dbraw/zinc/07/52/69/661075269.db2.gz QQMLFXNLMYMFRA-UHFFFAOYSA-N 1 0 378.420 2.926 20 0 GFADRO Cc1nn(CN2CC[C@@H]([NH+]3CC=CC3)C2)c(=S)n1CCc1cccs1 ZINC000172932792 655160812 /nfs/dbraw/zinc/16/08/12/655160812.db2.gz HWHYEEPDBAQZIN-MRXNPFEDSA-N 1 0 375.567 2.930 20 0 GFADRO CCCCS(=O)(=O)Oc1ccc(Cl)cc1C(=O)N1CCN(CC)CC1 ZINC000173085686 655162630 /nfs/dbraw/zinc/16/26/30/655162630.db2.gz VEUXBDIAMWPJRD-UHFFFAOYSA-N 1 0 388.917 2.626 20 0 GFADRO C[NH+]1CCN([C@@H]2CCCCN(C(=O)c3cc(F)ccc3Br)C2)CC1 ZINC000173273521 655166290 /nfs/dbraw/zinc/16/62/90/655166290.db2.gz UHLYMMXZCIOWDR-OAHLLOKOSA-N 1 0 398.320 2.830 20 0 GFADRO C[NH+]1CCN([C@@H]2CCCCN(C(=O)c3cc(F)cc(Br)c3)C2)CC1 ZINC000173278319 655166878 /nfs/dbraw/zinc/16/68/78/655166878.db2.gz CZRPTQSYTHKFAM-QGZVFWFLSA-N 1 0 398.320 2.830 20 0 GFADRO O=C(Nc1ccc(I)cc1)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000111243463 655167035 /nfs/dbraw/zinc/16/70/35/655167035.db2.gz PSDXTTGBPYNFAH-LLVKDONJSA-N 1 0 384.139 2.772 20 0 GFADRO CC[C@H](C)C[N@H+](C)CCC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1Cl ZINC000111254004 655167360 /nfs/dbraw/zinc/16/73/60/655167360.db2.gz HZSYMXNKSSZSTQ-ZDUSSCGKSA-N 1 0 389.949 2.897 20 0 GFADRO C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)N1CCC[C@H]([NH+](C)C)C1 ZINC000111248855 655167443 /nfs/dbraw/zinc/16/74/43/655167443.db2.gz BAROCVARQRYBPR-YOEHRIQHSA-N 1 0 382.346 2.822 20 0 GFADRO COCCOC[C@H]1CC[N@H+](Cn2ccc(=O)c3cccc(Br)c32)C1 ZINC000173393102 655169707 /nfs/dbraw/zinc/16/97/07/655169707.db2.gz QGHRFRPJHQLLPK-AWEZNQCLSA-N 1 0 395.297 2.706 20 0 GFADRO COCC[N@H+](C)CCCNCc1nc(-c2cccc(Br)c2)c[nH]1 ZINC000111383238 655172159 /nfs/dbraw/zinc/17/21/59/655172159.db2.gz XQBJYRCLSCCZMO-UHFFFAOYSA-N 1 0 381.318 2.897 20 0 GFADRO C[C@@H]1CC[N@H+](CCC(=O)Nc2sc3c(c2C(N)=O)CCCC3)CCS1 ZINC000839582133 661093690 /nfs/dbraw/zinc/09/36/90/661093690.db2.gz XEFXOUZYKMUWGK-GFCCVEGCSA-N 1 0 381.567 2.882 20 0 GFADRO O=C(NCCc1nc(C(F)(F)F)cs1)N1CC[NH+](C2CCCC2)CC1 ZINC000173552303 655174598 /nfs/dbraw/zinc/17/45/98/655174598.db2.gz NIZSYHHZTOQQCR-UHFFFAOYSA-N 1 0 376.448 2.974 20 0 GFADRO Cc1cc(N2CC[C@@H]([N@H+](C)CCc3ccc(Br)cc3)C2=O)n(C)n1 ZINC000173708446 655177044 /nfs/dbraw/zinc/17/70/44/655177044.db2.gz LOMOHAVJMYGGER-MRXNPFEDSA-N 1 0 391.313 2.771 20 0 GFADRO C[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)NCC1CC[NH+](CCO)CC1 ZINC000111848862 655178027 /nfs/dbraw/zinc/17/80/27/655178027.db2.gz KUFMZPOXSSYQFF-CYBMUJFWSA-N 1 0 388.339 2.928 20 0 GFADRO O=C(NC[C@H]1CCC[N@@H+]1Cc1ccccc1)c1c[nH]c(=O)c(Br)c1 ZINC000173764782 655180373 /nfs/dbraw/zinc/18/03/73/655180373.db2.gz PSRNEZNSQWDJIC-OAHLLOKOSA-N 1 0 390.281 2.532 20 0 GFADRO O=C(CC[NH+]1CCN(Cc2ccon2)CC1)Nc1ccc(Br)cc1 ZINC000173937671 655187055 /nfs/dbraw/zinc/18/70/55/655187055.db2.gz LXXBOQYYOYCWEU-UHFFFAOYSA-N 1 0 393.285 2.584 20 0 GFADRO C[C@H](C[NH+]1CCOCC1)C(=O)NCc1cc2cc(Br)ccc2[nH]1 ZINC000274417490 655187541 /nfs/dbraw/zinc/18/75/41/655187541.db2.gz NRIZZOYDUBPPFX-GFCCVEGCSA-N 1 0 380.286 2.515 20 0 GFADRO O=C(CC[NH+]1CCN(c2ccccn2)CC1)NCCc1ccc(Cl)s1 ZINC000173998739 655189220 /nfs/dbraw/zinc/18/92/20/655189220.db2.gz ZZCVXSWZKVZIBH-UHFFFAOYSA-N 1 0 378.929 2.668 20 0 GFADRO O=C(c1cnc(-c2ccsc2)s1)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000112403564 655190819 /nfs/dbraw/zinc/19/08/19/655190819.db2.gz NXAUHEVVMNHFCZ-UHFFFAOYSA-N 1 0 376.551 2.725 20 0 GFADRO COCCOCCOCCC[NH2+][C@@H](C)c1cc(Br)ncc1F ZINC000274617364 655194490 /nfs/dbraw/zinc/19/44/90/655194490.db2.gz DXBOZGMMXSTBCX-LBPRGKRZSA-N 1 0 379.270 2.704 20 0 GFADRO C[C@@H](CNC(=O)NCCc1c(Cl)cccc1Cl)C[NH+]1CCN(C)CC1 ZINC000174257504 655195779 /nfs/dbraw/zinc/19/57/79/655195779.db2.gz JNSUQRRCXJHBSO-AWEZNQCLSA-N 1 0 387.355 2.719 20 0 GFADRO O=C(NCCCC[N@H+]1CCC[C@@H]1CO)Nc1ccc(F)c(Br)c1 ZINC000174422872 655202024 /nfs/dbraw/zinc/20/20/24/655202024.db2.gz ZHMYNHVKZXEUSH-CYBMUJFWSA-N 1 0 388.281 2.947 20 0 GFADRO C[N@H+](C[C@H](O)COc1cc(Cl)ccc1Cl)C(C)(C)CN1CCOCC1 ZINC000839674447 661099555 /nfs/dbraw/zinc/09/95/55/661099555.db2.gz PCXQWOKMETUOMH-HNNXBMFYSA-N 1 0 391.339 2.776 20 0 GFADRO CC[C@H]1CN(C(=O)c2cc3c(cccc3Br)[nH]2)CC[N@@H+]1C[C@@H](C)O ZINC000174601814 655204948 /nfs/dbraw/zinc/20/49/48/655204948.db2.gz ZXBVXIFFFRHJIM-OLZOCXBDSA-N 1 0 394.313 2.848 20 0 GFADRO C[C@@](O)(CNC(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1)C(F)(F)F ZINC000274926018 655207421 /nfs/dbraw/zinc/20/74/21/655207421.db2.gz KFVUNAMPGLJRML-IUODEOHRSA-N 1 0 379.448 2.573 20 0 GFADRO CS(=O)(=O)CC1(C[NH2+]Cc2cc(Cl)ccc2OC[C@@H]2CCCO2)CC1 ZINC000174941436 655210969 /nfs/dbraw/zinc/21/09/69/655210969.db2.gz SCGDJVWSPLSFFP-INIZCTEOSA-N 1 0 387.929 2.812 20 0 GFADRO C[NH+](C)CCn1nnnc1SCc1ccc(Cl)cc1Br ZINC000113773646 655214878 /nfs/dbraw/zinc/21/48/78/655214878.db2.gz ITMYKOQFYIVQKK-UHFFFAOYSA-N 1 0 376.711 2.943 20 0 GFADRO CS[C@@H]1CN(C[C@@H](O)c2cccc(Br)c2)C[C@@H]1[NH+]1CCCC1 ZINC000275093225 655216508 /nfs/dbraw/zinc/21/65/08/655216508.db2.gz PKZSFXWYVDABFI-GVDBMIGSSA-N 1 0 385.371 2.994 20 0 GFADRO CC(C)[NH+]1CCC(NC(=O)CSc2n[nH]c(Cc3cccs3)n2)CC1 ZINC000114218222 655218428 /nfs/dbraw/zinc/21/84/28/655218428.db2.gz WZAOCWLSKGOMQB-UHFFFAOYSA-N 1 0 379.555 2.538 20 0 GFADRO Cc1nc(C(F)(F)F)c(C[N@@H+]2CC[C@H](C(=O)NCC(F)(F)F)C2)s1 ZINC000275149005 655219625 /nfs/dbraw/zinc/21/96/25/655219625.db2.gz XHXSOSQKGHZOSK-QMMMGPOBSA-N 1 0 375.338 2.971 20 0 GFADRO C[C@@H](CNC(=O)c1cc2cc(Br)ccc2o1)C[NH+]1CCN(C)CC1 ZINC000114380271 655223018 /nfs/dbraw/zinc/22/30/18/655223018.db2.gz VSSKPKDEEYSCKX-ZDUSSCGKSA-N 1 0 394.313 2.809 20 0 GFADRO Cc1cc(OC(F)F)c(C(=O)NCC2CC[NH+](CCN(C)C)CC2)s1 ZINC000114382621 655223056 /nfs/dbraw/zinc/22/30/56/655223056.db2.gz KKQHTODUMHHPEV-UHFFFAOYSA-N 1 0 375.485 2.661 20 0 GFADRO Cn1ccnc1Sc1ncc(C(=O)N2CC[C@@H](C[NH+](C)C)C2)cc1Cl ZINC000114399281 655223312 /nfs/dbraw/zinc/22/33/12/655223312.db2.gz CFPUDWDRUVFSOA-LBPRGKRZSA-N 1 0 379.917 2.643 20 0 GFADRO O=C(NCCCC[NH+]1CCN(CCO)CC1)Nc1ccc(Cl)c(Cl)c1 ZINC000114512552 655225638 /nfs/dbraw/zinc/22/56/38/655225638.db2.gz JITZTDPFTFXNPA-UHFFFAOYSA-N 1 0 389.327 2.505 20 0 GFADRO Cc1nc(-c2cnn(C)c2)sc1C(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000115317910 655234666 /nfs/dbraw/zinc/23/46/66/655234666.db2.gz LDIHRZZZIOQCQQ-CYBMUJFWSA-N 1 0 375.523 2.946 20 0 GFADRO CN(C[C@H]1CCC[N@H+](C)C1)S(=O)(=O)c1cc(Br)ccc1F ZINC000115586165 655239487 /nfs/dbraw/zinc/23/94/87/655239487.db2.gz WDDXIPIYTODSDM-NSHDSACASA-N 1 0 379.295 2.551 20 0 GFADRO CC[NH+](CC)CCNC(=O)c1ccc(OS(=O)(=O)c2cccs2)cc1 ZINC000115588634 655239797 /nfs/dbraw/zinc/23/97/97/655239797.db2.gz PLSAAKGXPQLWPN-UHFFFAOYSA-N 1 0 382.507 2.587 20 0 GFADRO COc1nc(N[C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)ncc1Br ZINC000176259625 655242316 /nfs/dbraw/zinc/24/23/16/655242316.db2.gz ZXVZDXYUPMRTKH-WFASDCNBSA-N 1 0 392.301 2.965 20 0 GFADRO Cc1cc(NC(=O)C(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)ccc1Br ZINC000275752713 655249596 /nfs/dbraw/zinc/24/95/96/655249596.db2.gz BMSQIDHPRNGXHZ-CYBMUJFWSA-N 1 0 396.329 2.885 20 0 GFADRO Cc1ccc(Br)c(NC(=O)C(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)c1 ZINC000275773729 655250586 /nfs/dbraw/zinc/25/05/86/655250586.db2.gz DXHNZZVCSHFKNJ-CYBMUJFWSA-N 1 0 396.329 2.885 20 0 GFADRO COCCOC1CC[NH+](CCC(=O)Nc2ccccc2Br)CC1 ZINC000116884010 655255433 /nfs/dbraw/zinc/25/54/33/655255433.db2.gz JBBSQUYUAFROMT-UHFFFAOYSA-N 1 0 385.302 2.905 20 0 GFADRO C[NH+](C)CCCOC1CCN(C(=O)Cc2ccccc2Br)CC1 ZINC000177090866 655268135 /nfs/dbraw/zinc/26/81/35/655268135.db2.gz ODFWOGQNPPLXQX-UHFFFAOYSA-N 1 0 383.330 2.951 20 0 GFADRO C[NH+](C)C1CCN(CCNC(=O)c2cc(Br)ccc2Cl)CC1 ZINC000177118408 655269081 /nfs/dbraw/zinc/26/90/81/655269081.db2.gz CICLTOZWPVMQGQ-UHFFFAOYSA-N 1 0 388.737 2.858 20 0 GFADRO C[NH+](C)C1CCN(CCNC(=O)c2cc3ccc(Br)cc3[nH]2)CC1 ZINC000177126479 655269570 /nfs/dbraw/zinc/26/95/70/655269570.db2.gz SEVADILAEKSNKB-UHFFFAOYSA-N 1 0 393.329 2.686 20 0 GFADRO COC[C@@H](O)C[NH2+]Cc1c(C)nn(-c2cccc(C(F)(F)F)c2)c1Cl ZINC000117946592 655270660 /nfs/dbraw/zinc/27/06/60/655270660.db2.gz JKEMXJBFCHJHMK-ZDUSSCGKSA-N 1 0 377.794 2.950 20 0 GFADRO Cc1n[nH]cc1C[NH2+]CC(C)(C)S(=O)(=O)c1ccc(Br)cc1 ZINC000118455135 655276481 /nfs/dbraw/zinc/27/64/81/655276481.db2.gz PZUZFYYEHNZKDY-UHFFFAOYSA-N 1 0 386.315 2.823 20 0 GFADRO C[NH+](C)[C@H]1CCCN(C(=O)C(=O)Nc2ccc(Br)cc2Cl)C1 ZINC000177534666 655280217 /nfs/dbraw/zinc/28/02/17/655280217.db2.gz IXWSHBGTDHFCIA-NSHDSACASA-N 1 0 388.693 2.594 20 0 GFADRO CS[C@H](CO)[C@H](C)NC(=O)NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000118962993 655284557 /nfs/dbraw/zinc/28/45/57/655284557.db2.gz QKFKUAFTXOGGAY-YQQAZPJKSA-N 1 0 385.599 2.933 20 0 GFADRO C[NH+](C)CC(C)(C)CNC(=O)Cc1csc(NC(=O)c2cccs2)n1 ZINC000119065009 655288566 /nfs/dbraw/zinc/28/85/66/655288566.db2.gz KEKMZSNDOKEJRS-UHFFFAOYSA-N 1 0 380.539 2.703 20 0 GFADRO Cn1cc(Br)cc(NC(=O)NC2CC[NH+](C3CCCC3)CC2)c1=O ZINC000177963470 655292716 /nfs/dbraw/zinc/29/27/16/655292716.db2.gz FRBJVPMFIGXLKY-UHFFFAOYSA-N 1 0 397.317 2.676 20 0 GFADRO O=C(NCCOc1cccc(Br)c1)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000178061281 655296733 /nfs/dbraw/zinc/29/67/33/655296733.db2.gz VLGVYEMGPZBGCA-QGZVFWFLSA-N 1 0 375.266 2.659 20 0 GFADRO Cc1cccc(S(=O)(=O)N2CCC[C@@H]([NH+](C)C)CC2)c1Br ZINC000276995579 655297226 /nfs/dbraw/zinc/29/72/26/655297226.db2.gz JAVBERSBWJTLKE-CYBMUJFWSA-N 1 0 375.332 2.862 20 0 GFADRO C[C@@H]([NH2+][C@@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1)C1CCCC1 ZINC000178227771 655299941 /nfs/dbraw/zinc/29/99/41/655299941.db2.gz RAECMAOGIMRJRV-KGLIPLIRSA-N 1 0 388.555 2.642 20 0 GFADRO COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)N1CCC[C@H]([NH+](C)C)CC1 ZINC000277050155 655300299 /nfs/dbraw/zinc/30/02/99/655300299.db2.gz FXYPHFXWLRSOTM-NSHDSACASA-N 1 0 388.295 2.883 20 0 GFADRO COc1cc(OC)c([C@@H](C)[NH2+]CC2CCN(S(C)(=O)=O)CC2)cc1Cl ZINC000178265565 655301012 /nfs/dbraw/zinc/30/10/12/655301012.db2.gz PMLJQJTXBLIVSX-GFCCVEGCSA-N 1 0 390.933 2.679 20 0 GFADRO COCC[N@@H+]1CCCN(C(=O)c2cc(Br)c(F)cc2F)CC1 ZINC000277138082 655304913 /nfs/dbraw/zinc/30/49/13/655304913.db2.gz VHKCXQYBJWANOT-UHFFFAOYSA-N 1 0 377.229 2.522 20 0 GFADRO CN(Cc1cc(Br)cs1)C(=O)CN1CCC[C@@H]([NH+](C)C)CC1 ZINC000277138202 655304979 /nfs/dbraw/zinc/30/49/79/655304979.db2.gz IWMYTAWMXXCKQX-CQSZACIVSA-N 1 0 388.375 2.885 20 0 GFADRO O=C(C1CC[NH+](C[C@@H](O)c2ccccc2Br)CC1)N1CCCC1 ZINC000178569143 655305044 /nfs/dbraw/zinc/30/50/44/655305044.db2.gz HLCHREMSWAAJRB-QGZVFWFLSA-N 1 0 381.314 2.817 20 0 GFADRO Cc1sc(Cl)nc1C(=O)NCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000839879542 661116219 /nfs/dbraw/zinc/11/62/19/661116219.db2.gz JXDBUHFKIVPIBV-UHFFFAOYSA-N 1 0 379.913 2.862 20 0 GFADRO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CCN1CCOC(C)(C)C1 ZINC000178759628 655309644 /nfs/dbraw/zinc/30/96/44/655309644.db2.gz HJRGQSFDIFFVLD-CQSZACIVSA-N 1 0 398.345 2.867 20 0 GFADRO CC[NH+](CC)CCC[C@H](C)NC(=O)c1cc(Br)c(C)n(C)c1=O ZINC000277320280 655312701 /nfs/dbraw/zinc/31/27/01/655312701.db2.gz DDUMAUQECWAUPK-LBPRGKRZSA-N 1 0 386.334 2.697 20 0 GFADRO C[C@H]([NH2+]C1CCN(S(=O)(=O)C(C)(C)C)CC1)c1ccc([S@@](C)=O)cc1 ZINC000277346459 655313947 /nfs/dbraw/zinc/31/39/47/655313947.db2.gz YRIKTHWHKJJFJD-LFPIHBKWSA-N 1 0 386.583 2.667 20 0 GFADRO Cc1c(Br)cc(C(=O)NC[C@@H](c2cccs2)[NH+](C)C)c(=O)n1C ZINC000277401664 655317074 /nfs/dbraw/zinc/31/70/74/655317074.db2.gz JVZYNJFQTAHXJD-ZDUSSCGKSA-N 1 0 398.326 2.550 20 0 GFADRO Brc1cc2c(cc1C[N@@H+]1CCC[C@H](Cn3ccnn3)C1)OCCO2 ZINC000119925205 655321571 /nfs/dbraw/zinc/32/15/71/655321571.db2.gz QBELAJWAGACOIH-ZDUSSCGKSA-N 1 0 393.285 2.724 20 0 GFADRO CC[NH+](CC)CCN(Cc1cccs1)Cc1nnnn1CC(F)(F)F ZINC000277495417 655322848 /nfs/dbraw/zinc/32/28/48/655322848.db2.gz OXOIGFCVLULFGU-UHFFFAOYSA-N 1 0 376.452 2.641 20 0 GFADRO CN(CC[C@H]1CCCC[N@@H+]1C)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F ZINC000180350345 655325841 /nfs/dbraw/zinc/32/58/41/655325841.db2.gz DZLOVNMWEGGJDX-SECBINFHSA-N 1 0 386.386 2.877 20 0 GFADRO Cc1cc(N2C[C@H](C(=O)NNc3cc[nH+]cc3)CC2=O)ccc1Br ZINC000180531782 655327864 /nfs/dbraw/zinc/32/78/64/655327864.db2.gz HKWMVMVPPOXDBO-GFCCVEGCSA-N 1 0 389.253 2.649 20 0 GFADRO CCc1nc(C)c([C@H](C)[NH2+]CC2CCN(S(=O)(=O)C(F)F)CC2)s1 ZINC000180792208 655330279 /nfs/dbraw/zinc/33/02/79/655330279.db2.gz UPYMSFYQWXFYNM-JTQLQIEISA-N 1 0 381.514 2.929 20 0 GFADRO CC[C@H]([NH2+]Cc1cccc(CO)c1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000280756912 655330351 /nfs/dbraw/zinc/33/03/51/655330351.db2.gz FEJYJZMLYBUBFJ-KRWDZBQOSA-N 1 0 382.913 2.981 20 0 GFADRO CC(C)C[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2c(Cl)nc3ccccn32)C1 ZINC000120180758 655330439 /nfs/dbraw/zinc/33/04/39/655330439.db2.gz VZZQCPYOSZJEQI-AWEZNQCLSA-N 1 0 384.933 2.634 20 0 GFADRO O=C(NCC1(C[NH+]2CCOCC2)CCCCC1)c1ccncc1Br ZINC000120199821 655330846 /nfs/dbraw/zinc/33/08/46/655330846.db2.gz GGHCFSDKGBZGQO-UHFFFAOYSA-N 1 0 396.329 2.857 20 0 GFADRO Cc1sc(Br)c(C(=O)N(C)CCCN2CC[NH+](C)CC2)c1C ZINC000281552934 655335021 /nfs/dbraw/zinc/33/50/21/655335021.db2.gz AHBFSLRWAXRANV-UHFFFAOYSA-N 1 0 388.375 2.837 20 0 GFADRO CSc1ccc(NC(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cc1Cl ZINC000120437557 655335836 /nfs/dbraw/zinc/33/58/36/655335836.db2.gz OEVOGFNETGVPIM-WFASDCNBSA-N 1 0 381.929 2.943 20 0 GFADRO Cc1cc(S(=O)(=O)NCC[NH2+][C@@H](C)c2ccc3c(c2)CCO3)c(C)s1 ZINC000181505554 655338418 /nfs/dbraw/zinc/33/84/18/655338418.db2.gz MMYJEMKIBAYQQX-ZDUSSCGKSA-N 1 0 380.535 2.929 20 0 GFADRO CC(=O)N[C@H](CC(=O)N1CCC([NH+](C)C)CC1)c1ccc(Br)cc1 ZINC000120667075 655341847 /nfs/dbraw/zinc/34/18/47/655341847.db2.gz AJMCVNMXSJYWFU-QGZVFWFLSA-N 1 0 396.329 2.569 20 0 GFADRO Cc1cccc(NC(=O)NC2CCN(CC[NH+](C)C)CC2)c1Br ZINC000120676881 655342077 /nfs/dbraw/zinc/34/20/77/655342077.db2.gz RZSNQDHBUWJMSM-UHFFFAOYSA-N 1 0 383.334 2.905 20 0 GFADRO Cc1cc(NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)ccc1Br ZINC000120722718 655343211 /nfs/dbraw/zinc/34/32/11/655343211.db2.gz UWAINGACICTGNM-TZMCWYRMSA-N 1 0 382.302 2.637 20 0 GFADRO Cc1cc(NC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)cnc1Br ZINC000182450254 655344221 /nfs/dbraw/zinc/34/42/21/655344221.db2.gz FIPIDJAWIDEMTI-CQSZACIVSA-N 1 0 385.306 2.631 20 0 GFADRO COc1ccc(C(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)nc1Br ZINC000182881329 655348101 /nfs/dbraw/zinc/34/81/01/655348101.db2.gz JZQRUETYZFCWRF-AWEZNQCLSA-N 1 0 392.297 2.755 20 0 GFADRO O=C1[C@@H](c2cccc(Br)c2)CCN1CN1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000840012078 661124669 /nfs/dbraw/zinc/12/46/69/661124669.db2.gz RGKKLPDFJMPBSH-QZTJIDSGSA-N 1 0 390.325 2.669 20 0 GFADRO CSCC[C@@H]1NC(=S)N([C@H](C[N@H+](C)Cc2ccccc2)C(C)C)C1=O ZINC000183884298 655354286 /nfs/dbraw/zinc/35/42/86/655354286.db2.gz JDVAGXWDJWKBTK-DLBZAZTESA-N 1 0 379.595 2.981 20 0 GFADRO O=C(c1ccc(I)cc1Cl)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000292847277 655355258 /nfs/dbraw/zinc/35/52/58/655355258.db2.gz CSABHBGGZIEDNP-TVQRCGJNSA-N 1 0 390.652 2.769 20 0 GFADRO Cc1cc(NC(=O)NC(C)(C)CC[NH+]2CCN(C)CC2)cnc1Br ZINC000184623004 655358607 /nfs/dbraw/zinc/35/86/07/655358607.db2.gz SYTOSGRCVGPZOX-UHFFFAOYSA-N 1 0 398.349 2.690 20 0 GFADRO COC1(CC[NH2+][C@H](C)c2ccc(Br)c(S(N)(=O)=O)c2)CCC1 ZINC000293659734 655361226 /nfs/dbraw/zinc/36/12/26/655361226.db2.gz IMFULSOVAHRFTN-LLVKDONJSA-N 1 0 391.331 2.706 20 0 GFADRO C[C@@]([NH3+])(C(=O)NCC[C@@H](O)c1ccccc1)c1ccc(Br)cc1 ZINC000293968717 655363435 /nfs/dbraw/zinc/36/34/35/655363435.db2.gz APVRFXKTCBOMGX-AEFFLSMTSA-N 1 0 377.282 2.863 20 0 GFADRO CC(C)CS(=O)(=O)N1CCC([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000185315271 655363681 /nfs/dbraw/zinc/36/36/81/655363681.db2.gz VXBZIHGOCZTSDV-UHFFFAOYSA-N 1 0 389.905 2.788 20 0 GFADRO Cc1nccn1C[C@@H](C)CNC(=O)[C@](C)([NH3+])c1ccc(Br)cc1 ZINC000293978606 655363818 /nfs/dbraw/zinc/36/38/18/655363818.db2.gz BNDYUKSJDCWEHX-YVEFUNNKSA-N 1 0 379.302 2.580 20 0 GFADRO C[C@](CO)([NH2+]Cc1cccc(S(C)(=O)=O)c1)c1ccc(Br)cc1 ZINC000295609889 655366206 /nfs/dbraw/zinc/36/62/06/655366206.db2.gz DQFQSGUFVJWNFH-QGZVFWFLSA-N 1 0 398.322 2.850 20 0 GFADRO CC[C@@H](COCC(F)(F)F)[NH2+][C@H](C)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000297442545 655370633 /nfs/dbraw/zinc/37/06/33/655370633.db2.gz WHJINXNAQWWOGW-OCCSQVGLSA-N 1 0 382.448 2.945 20 0 GFADRO CSCC[C@@H]1NC(=S)N(C[C@H](C2CC2)[N@H+](C)Cc2ccccc2)C1=O ZINC000186837455 655371624 /nfs/dbraw/zinc/37/16/24/655371624.db2.gz MEWKTTOXWIFQCA-DLBZAZTESA-N 1 0 377.579 2.735 20 0 GFADRO NC(=O)CN(Cc1ccccc1)C[C@@H](O)c1ccc(F)c(Br)c1 ZINC000187027769 655372420 /nfs/dbraw/zinc/37/24/20/655372420.db2.gz GINVJQLNUYBGJR-MRXNPFEDSA-N 1 0 381.245 2.609 20 0 GFADRO CCCC[C@H](CNC(=O)OC(C)(C)C)[NH2+][C@H](C)C1CCS(=O)(=O)CC1 ZINC000187300864 655373440 /nfs/dbraw/zinc/37/34/40/655373440.db2.gz SRLKMJKLSCSYHM-GDBMZVCRSA-N 1 0 376.563 2.873 20 0 GFADRO CCC[N@H+](CC)CCC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1Cl ZINC000299376515 655375067 /nfs/dbraw/zinc/37/50/67/655375067.db2.gz MLEYFCNUXAHGPD-UHFFFAOYSA-N 1 0 375.922 2.651 20 0 GFADRO CCN(CCC[NH+]1CCCC1)S(=O)(=O)c1ccc(Cl)c(C(=O)OC)c1 ZINC000188259130 655379147 /nfs/dbraw/zinc/37/91/47/655379147.db2.gz VVGKDGSTWQQPMG-UHFFFAOYSA-N 1 0 388.917 2.623 20 0 GFADRO CC[C@H]1C[N@H+](C)CCN1CN1CC[C@H](c2cccc(Br)c2)C1=O ZINC000840090478 661131372 /nfs/dbraw/zinc/13/13/72/661131372.db2.gz GIBKLYBVIDSGRF-DLBZAZTESA-N 1 0 380.330 2.749 20 0 GFADRO CC[NH+](CC)CCN(CC(C)C)S(=O)(=O)c1c(Cl)nc2ccccn21 ZINC000326579678 655385187 /nfs/dbraw/zinc/38/51/87/655385187.db2.gz DABZJOHLFNZAEC-UHFFFAOYSA-N 1 0 386.949 2.976 20 0 GFADRO CC(C)[N@H+](C)CC1CCN(S(=O)(=O)c2c(Cl)nc3ccccn32)CC1 ZINC000326867142 655385329 /nfs/dbraw/zinc/38/53/29/655385329.db2.gz XKOGBHNVQITMAO-UHFFFAOYSA-N 1 0 384.933 2.729 20 0 GFADRO O=C1[C@@H]([NH2+][C@H]2CCOc3c(Br)cccc32)CCN1C1CCOCC1 ZINC000328632923 655386987 /nfs/dbraw/zinc/38/69/87/655386987.db2.gz ARCDCCQFOYRAGQ-HOTGVXAUSA-N 1 0 395.297 2.642 20 0 GFADRO CN1C(=O)N(C[C@@H]2CC[N@@H+](C3CC3)C2)C(=O)[C@H]1c1cccc(Br)c1 ZINC000349215640 655388571 /nfs/dbraw/zinc/38/85/71/655388571.db2.gz GLGZWJDFMCKPCI-MLGOLLRUSA-N 1 0 392.297 2.869 20 0 GFADRO CC[N@@H+]1CCCC[C@H]1CN1C(=O)N[C@H](c2ccc(Br)cc2)C1=O ZINC000349380546 655389836 /nfs/dbraw/zinc/38/98/36/655389836.db2.gz WZTWWRBRIVNYCR-LSDHHAIUSA-N 1 0 380.286 2.916 20 0 GFADRO C[N@@H+]1CC[C@H](CNS(=O)(=O)C[C@H]2CCCCO2)[C@@H]1c1cccc(Cl)c1 ZINC000363218555 655391701 /nfs/dbraw/zinc/39/17/01/655391701.db2.gz JRGXCQJAXKBTSG-NXHRZFHOSA-N 1 0 386.945 2.821 20 0 GFADRO CN1CCC2(CC[NH+](CCOc3cc(F)cc(Br)c3)CC2)C1=O ZINC000365338016 655393855 /nfs/dbraw/zinc/39/38/55/655393855.db2.gz SAJMPTGWUKXUQJ-UHFFFAOYSA-N 1 0 385.277 2.911 20 0 GFADRO Cc1ccc(Br)nc1C(=O)Nc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000191819203 655400608 /nfs/dbraw/zinc/40/06/08/655400608.db2.gz GAOKBQWUGQZYDY-UHFFFAOYSA-N 1 0 390.285 2.552 20 0 GFADRO CC(C)(O)C[N@@H+]1CCCN(C(=O)[C@H]2C[C@@H]2c2ccc(Br)cc2)CC1 ZINC000366686505 655400758 /nfs/dbraw/zinc/40/07/58/655400758.db2.gz MFDPJMRKSKOKQE-SJORKVTESA-N 1 0 395.341 2.858 20 0 GFADRO C[C@@H](NC(=O)NC(C)(C)COc1ncccc1Br)[C@H]1CCC[NH2+]C1 ZINC000418338566 655405574 /nfs/dbraw/zinc/40/55/74/655405574.db2.gz JYXKDGOPFDYSMJ-OLZOCXBDSA-N 1 0 399.333 2.689 20 0 GFADRO COc1ccc(Br)cc1CN(C)C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000418345950 655405726 /nfs/dbraw/zinc/40/57/26/655405726.db2.gz LYWUBJPHOHAZMB-ZDUSSCGKSA-N 1 0 384.318 2.989 20 0 GFADRO [NH3+]C[C@@H](NC(=O)N[C@H](CO)c1cccc(Br)c1)C1CCCCC1 ZINC000418355474 655405845 /nfs/dbraw/zinc/40/58/45/655405845.db2.gz FQTANEKQNVRHIO-HZPDHXFCSA-N 1 0 384.318 2.689 20 0 GFADRO O=S(=O)(c1cccc(Br)c1Cl)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000420478307 655407522 /nfs/dbraw/zinc/40/75/22/655407522.db2.gz WLAQABSOAJJTQZ-CYBMUJFWSA-N 1 0 379.707 2.619 20 0 GFADRO Cn1ccnc1[C@H]1CCCN(S(=O)(=O)Cc2ccc(Br)cc2)C1 ZINC000443983612 655409806 /nfs/dbraw/zinc/40/98/06/655409806.db2.gz WDZMISCWRWWYDH-AWEZNQCLSA-N 1 0 398.326 2.892 20 0 GFADRO COc1ccc(C[C@H](CO)C[NH2+][C@H]2CCCc3n[nH]cc32)cc1Br ZINC000453382413 655411588 /nfs/dbraw/zinc/41/15/88/655411588.db2.gz SCCLRBCLHXOHGK-BBRMVZONSA-N 1 0 394.313 2.999 20 0 GFADRO COc1ccc(Br)cc1C[C@@H](CO)C[NH2+][C@H]1CCCc2n[nH]cc21 ZINC000453386422 655411636 /nfs/dbraw/zinc/41/16/36/655411636.db2.gz VBJKHVXWLCNSPY-WBMJQRKESA-N 1 0 394.313 2.999 20 0 GFADRO C[NH+](C)[C@H]1CCCN(C(=O)C(=O)Nc2cc(Cl)cc(Br)c2)C1 ZINC000453722518 655412517 /nfs/dbraw/zinc/41/25/17/655412517.db2.gz NKDCVFFMYRZHTP-ZDUSSCGKSA-N 1 0 388.693 2.594 20 0 GFADRO CCOC(=O)N1CCC([NH2+]CC(=O)Nc2ccc(Br)cc2)CC1 ZINC000194010767 655413764 /nfs/dbraw/zinc/41/37/64/655413764.db2.gz PUAKVCOSIZQXPQ-UHFFFAOYSA-N 1 0 384.274 2.598 20 0 GFADRO CC[C@@]1(COC)NC(=O)N([C@@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)C1=O ZINC000530214629 655420496 /nfs/dbraw/zinc/42/04/96/655420496.db2.gz TWCSOQURCBHBDH-YOEHRIQHSA-N 1 0 388.295 2.943 20 0 GFADRO C[C@@H](CS(C)(=O)=O)[NH2+]Cc1cc(Br)c(Br)s1 ZINC000227835829 655422894 /nfs/dbraw/zinc/42/28/94/655422894.db2.gz KFJSUZANERMQLX-LURJTMIESA-N 1 0 391.150 2.796 20 0 GFADRO O[C@H](C[NH2+]C[C@@H]1CSCCS1)COc1ccc(Br)cc1 ZINC000229600390 655423334 /nfs/dbraw/zinc/42/33/34/655423334.db2.gz RXFWIAPLJGYCSY-TZMCWYRMSA-N 1 0 378.357 2.627 20 0 GFADRO C[C@@H]1CN(Cn2nc(-c3ccc(Cl)s3)oc2=S)C[C@H](C)[N@H+]1CCO ZINC000840133222 661138069 /nfs/dbraw/zinc/13/80/69/661138069.db2.gz DDEXISFLTMKHPY-PHIMTYICSA-N 1 0 388.946 2.932 20 0 GFADRO C[C@H](NC(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1)c1ncc(Br)cn1 ZINC000562670611 655423747 /nfs/dbraw/zinc/42/37/47/655423747.db2.gz IUUCSAVNCXGFQI-GXTWGEPZSA-N 1 0 396.333 2.673 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000566067568 655424633 /nfs/dbraw/zinc/42/46/33/655424633.db2.gz OJKAPZXCCFWZIH-KRWDZBQOSA-N 1 0 377.286 2.754 20 0 GFADRO C[C@H](C[NH3+])CNC(=O)c1ccccc1N(C)C(=O)c1ccc(Br)o1 ZINC000237568258 655426370 /nfs/dbraw/zinc/42/63/70/655426370.db2.gz HVBNOJNXSSVRMQ-LLVKDONJSA-N 1 0 394.269 2.643 20 0 GFADRO [NH3+]C[C@H](NC(=O)c1cc(I)cc(C(F)(F)F)c1)C1CC1 ZINC000237906459 655426716 /nfs/dbraw/zinc/42/67/16/655426716.db2.gz SZCIQHXKOQWULF-NSHDSACASA-N 1 0 398.166 2.777 20 0 GFADRO O=C(C[C@@H]1CSCC[NH2+]1)N(Cc1ccccc1)C[C@@H](O)c1cccs1 ZINC000238108404 655426992 /nfs/dbraw/zinc/42/69/92/655426992.db2.gz XYOQYEYNFFJRCV-IAGOWNOFSA-N 1 0 376.547 2.905 20 0 GFADRO COc1ccc(Br)c(CNC(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000574297421 655428536 /nfs/dbraw/zinc/42/85/36/655428536.db2.gz WSBBFTASYDWBSK-MBNYWOFBSA-N 1 0 382.302 2.645 20 0 GFADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2ccnc(Br)c2)[C@@H](C)C1 ZINC000246091799 655429071 /nfs/dbraw/zinc/42/90/71/655429071.db2.gz JYFYAYBIUCYIMK-ZFWWWQNUSA-N 1 0 384.318 2.711 20 0 GFADRO O=S(=O)(CC[NH2+]CC1(CCO)CCCC1)c1cccc(Br)c1 ZINC000574323780 655429128 /nfs/dbraw/zinc/42/91/28/655429128.db2.gz KPTQKKYZQUYKCR-UHFFFAOYSA-N 1 0 390.343 2.755 20 0 GFADRO O[C@H](COc1c(Cl)cccc1Cl)C[N@@H+]1CCC[C@@H](C2OCCO2)C1 ZINC000246153437 655429321 /nfs/dbraw/zinc/42/93/21/655429321.db2.gz UBVKYPHMRFQOEI-OLZOCXBDSA-N 1 0 376.280 2.818 20 0 GFADRO CCOC[C@@H]1CCCN(CN2C(=O)N[C@@](C)(c3ccc(Cl)s3)C2=O)C1 ZINC000246327183 655429847 /nfs/dbraw/zinc/42/98/47/655429847.db2.gz HOZMTHZTHOZCER-PXAZEXFGSA-N 1 0 385.917 2.875 20 0 GFADRO C[C@@H](NC(=O)N1CCC(CC[NH+](C)C)CC1)c1ncc(Br)cn1 ZINC000574378079 655430030 /nfs/dbraw/zinc/43/00/30/655430030.db2.gz MUUUADVXPUSCSN-GFCCVEGCSA-N 1 0 384.322 2.673 20 0 GFADRO C[N@H+](C[C@H](O)COCc1ccccc1)C[C@@H](O)c1ccccc1Br ZINC000246696215 655430382 /nfs/dbraw/zinc/43/03/82/655430382.db2.gz MPNFKHOTYTWFOM-QFBILLFUSA-N 1 0 394.309 2.992 20 0 GFADRO COCCNc1nn(CN2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c(=S)s1 ZINC000246709528 655430412 /nfs/dbraw/zinc/43/04/12/655430412.db2.gz UIEVYHGOHDMPLM-ZFWWWQNUSA-N 1 0 383.587 2.639 20 0 GFADRO O[C@H](C[N@@H+]1CCCC[C@H]1CN1CCOCC1)c1ccccc1Br ZINC000246949358 655430890 /nfs/dbraw/zinc/43/08/90/655430890.db2.gz ZPFSUJBLDJAACM-MAUKXSAKSA-N 1 0 383.330 2.669 20 0 GFADRO C[C@@H]1CN(C(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)CC[S@](=O)C1 ZINC000574855767 655432059 /nfs/dbraw/zinc/43/20/59/655432059.db2.gz UEAXIBDMZOQYCB-OTHJDCTCSA-N 1 0 383.583 2.541 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S(=O)(=O)CC[NH2+][C@@H]1C[C@H]1CC(C)C ZINC000574870832 655432492 /nfs/dbraw/zinc/43/24/92/655432492.db2.gz VMRDLFCLQARTQX-HZPDHXFCSA-N 1 0 387.567 2.668 20 0 GFADRO CC[NH+]1CCC(CNS(=O)(=O)c2cc(Br)c(F)cc2C)CC1 ZINC000574892410 655432926 /nfs/dbraw/zinc/43/29/26/655432926.db2.gz PNOLNKZRNWANJT-UHFFFAOYSA-N 1 0 393.322 2.907 20 0 GFADRO CC[NH+](CC)CCS(=O)(=O)N[C@@H]1C[C@H]1c1ccc(Br)s1 ZINC000574946184 655433526 /nfs/dbraw/zinc/43/35/26/655433526.db2.gz VDEGGCAGXMVGQN-GHMZBOCLSA-N 1 0 381.361 2.628 20 0 GFADRO Cc1ccsc1-c1nn(CN2CC[N@@H+](CC(C)(C)O)C[C@H]2C)c(=S)o1 ZINC000249108308 655433798 /nfs/dbraw/zinc/43/37/98/655433798.db2.gz LZVUNNJIPOKWME-CYBMUJFWSA-N 1 0 382.555 2.977 20 0 GFADRO C[C@@H]([NH2+]CCCNS(=O)(=O)c1ccccc1Br)C1(C)CC1 ZINC000575110904 655435835 /nfs/dbraw/zinc/43/58/35/655435835.db2.gz YQAOXOHSKXXEKY-GFCCVEGCSA-N 1 0 375.332 2.896 20 0 GFADRO C[C@@H]1CC[NH2+][C@@H](C)[C@H]1NC(=O)c1ccc(I)c(F)c1 ZINC000575116128 655435922 /nfs/dbraw/zinc/43/59/22/655435922.db2.gz KDHKUXIFRUAPBJ-ZDMBXUJBSA-N 1 0 376.213 2.547 20 0 GFADRO Cc1nc(S(=O)(=O)N2CC[C@H]([N@H+](C)CCc3ccccc3)C2)sc1C ZINC000575137879 655436114 /nfs/dbraw/zinc/43/61/14/655436114.db2.gz HRDRLLFDULCCLC-KRWDZBQOSA-N 1 0 379.551 2.697 20 0 GFADRO O=S(=O)(Cc1cccc(Br)c1)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000575181239 655436955 /nfs/dbraw/zinc/43/69/55/655436955.db2.gz WWNCSWRNLXUINO-CABCVRRESA-N 1 0 387.343 2.600 20 0 GFADRO [NH3+]C[C@H]1CC[C@H](CNC(=O)Cc2ccc(I)cc2)CC1 ZINC000575801695 655437356 /nfs/dbraw/zinc/43/73/56/655437356.db2.gz CSRPWNRFJCPHJH-HDJSIYSDSA-N 1 0 386.277 2.715 20 0 GFADRO O=S(=O)(/C=C\c1cccc(Br)c1)NC1CC[NH+](C2CC2)CC1 ZINC000255290564 655438090 /nfs/dbraw/zinc/43/80/90/655438090.db2.gz QWXOZMSKXWHFJU-FLIBITNWSA-N 1 0 385.327 2.966 20 0 GFADRO CN(Cc1ccccc1Br)C(=O)CN1C[C@H]([NH3+])Cc2ccccc21 ZINC000261658028 655441612 /nfs/dbraw/zinc/44/16/12/655441612.db2.gz KKOKBCKNBMXFFS-MRXNPFEDSA-N 1 0 388.309 2.798 20 0 GFADRO COc1ccc(S(=O)(=O)N2C[C@H]([NH3+])Cc3ccccc32)cc1Br ZINC000261747269 655442223 /nfs/dbraw/zinc/44/22/23/655442223.db2.gz OOABWILXCBHREW-GFCCVEGCSA-N 1 0 397.294 2.536 20 0 GFADRO C[NH2+][C@H](C)Cc1noc(Cc2csc(NC(=O)Cc3cccs3)n2)n1 ZINC000261766876 655442234 /nfs/dbraw/zinc/44/22/34/655442234.db2.gz MVYQKFFOGMSCTL-SNVBAGLBSA-N 1 0 377.495 2.510 20 0 GFADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+]CCC1(COC)CC1 ZINC000576039888 655442440 /nfs/dbraw/zinc/44/24/40/655442440.db2.gz RJHPAVOBJQYOAP-CYBMUJFWSA-N 1 0 399.329 2.869 20 0 GFADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)c2cc3cc(Cl)sc3[nH]2)CC1 ZINC000576081501 655442681 /nfs/dbraw/zinc/44/26/81/655442681.db2.gz QDQPBSLQHLTYNR-UHFFFAOYSA-N 1 0 382.917 2.555 20 0 GFADRO Cc1sc2ccc(Cl)cc2c1S(=O)(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000262350102 655445228 /nfs/dbraw/zinc/44/52/28/655445228.db2.gz UIWPNOMJNQDYRQ-AWEZNQCLSA-N 1 0 399.969 2.531 20 0 GFADRO COc1ccc(Br)cc1C[NH2+]CCN1C(=O)c2ccccc2C1=O ZINC000576653688 655450567 /nfs/dbraw/zinc/45/05/67/655450567.db2.gz HNNJCCKVHHBCQT-UHFFFAOYSA-N 1 0 389.249 2.844 20 0 GFADRO C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CCSc3ccc(Cl)cc32)C1 ZINC000576894476 655454110 /nfs/dbraw/zinc/45/41/10/655454110.db2.gz NKUNVKTXVICCDT-HIFRSBDPSA-N 1 0 381.929 2.546 20 0 GFADRO COc1cc(NC(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)cc(OC)c1Br ZINC000576925384 655454859 /nfs/dbraw/zinc/45/48/59/655454859.db2.gz TZYHCMOPXMQQKL-GHMZBOCLSA-N 1 0 384.274 2.540 20 0 GFADRO C[C@H]1C[C@@H](NC(=O)Nc2ccc(-c3ccc(Br)s3)nn2)CC[NH2+]1 ZINC000577080027 655457308 /nfs/dbraw/zinc/45/73/08/655457308.db2.gz XSJRKBBZKSRXJL-UWVGGRQHSA-N 1 0 396.314 3.230 20 0 GFADRO [NH3+]CC12CCC(CC1)CN2S(=O)(=O)c1cc(Br)c(F)cc1F ZINC000577389221 655458465 /nfs/dbraw/zinc/45/84/65/655458465.db2.gz XCXSMNIAXSWUSI-UHFFFAOYSA-N 1 0 395.269 2.619 20 0 GFADRO O=C(NCC1CC1)[C@@H]1CCC[N@@H+](C[C@H](O)c2ccc(Br)cc2)C1 ZINC000264231316 655459355 /nfs/dbraw/zinc/45/93/55/655459355.db2.gz RNPHJQJLTHFBNO-WBVHZDCISA-N 1 0 381.314 2.721 20 0 GFADRO O[C@H](C[N@@H+]1CCC[C@@H](c2nnc3n2CCC3)C1)c1ccc(Br)cc1 ZINC000264234191 655459381 /nfs/dbraw/zinc/45/93/81/655459381.db2.gz SQSKJZDWJQLWMF-GDBMZVCRSA-N 1 0 391.313 2.900 20 0 GFADRO Brc1ccccc1-n1cc(CN2CC[C@@H](C[NH+]3CCCC3)C2)nn1 ZINC000577446994 655459633 /nfs/dbraw/zinc/45/96/33/655459633.db2.gz JFRSOTDUCMSXHJ-HNNXBMFYSA-N 1 0 390.329 2.948 20 0 GFADRO CC(C)(C)N1C[C@@H]([NH2+]CCC(=O)Nc2cccc(Br)c2)CC1=O ZINC000577722582 655465651 /nfs/dbraw/zinc/46/56/51/655465651.db2.gz VCHJOBQXGUTTTM-AWEZNQCLSA-N 1 0 382.302 2.767 20 0 GFADRO COc1ccc([C@@H](CCO)[NH2+][C@@H](C)Cn2cc(Br)ccc2=O)cc1 ZINC000577764592 655466735 /nfs/dbraw/zinc/46/67/35/655466735.db2.gz RDRLELHEHDNOAL-SUMWQHHRSA-N 1 0 395.297 2.721 20 0 GFADRO C[NH+]1CCC(NC(=O)CCC[S@@](=O)c2ccc(Br)cc2)CC1 ZINC000264793907 655470739 /nfs/dbraw/zinc/47/07/39/655470739.db2.gz XXJRVBJJKDZEFY-JOCHJYFZSA-N 1 0 387.343 2.547 20 0 GFADRO CN(C)CC[N@H+](C)CCCN(C)Cc1nc2cc(Br)ccc2[nH]1 ZINC000578096465 655472427 /nfs/dbraw/zinc/47/24/27/655472427.db2.gz KEDYGFYXJJAYCR-UHFFFAOYSA-N 1 0 382.350 2.641 20 0 GFADRO Cn1nc(-c2ccc(Cl)s2)cc1NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC000578336705 655477030 /nfs/dbraw/zinc/47/70/30/655477030.db2.gz MYYQZFKBHVKLMW-UHFFFAOYSA-N 1 0 378.889 2.812 20 0 GFADRO [NH3+]CC12CCC(CC1)CN2S(=O)(=O)c1cccc(Br)c1Cl ZINC000578453271 655479235 /nfs/dbraw/zinc/47/92/35/655479235.db2.gz MJBSSMWRQMHUTB-UHFFFAOYSA-N 1 0 393.734 2.995 20 0 GFADRO C[C@@H](C(=O)N(C)CCC[N@H+](C)CCN(C)C)c1ccc(Br)cc1 ZINC000578467677 655479695 /nfs/dbraw/zinc/47/96/95/655479695.db2.gz CKXKOAQMPGZHHS-OAHLLOKOSA-N 1 0 384.362 2.895 20 0 GFADRO CCOC(=O)CC[C@H](O)C[NH2+][C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1 ZINC000578500083 655480597 /nfs/dbraw/zinc/48/05/97/655480597.db2.gz LHPXECAABRIGKO-JSGCOSHPSA-N 1 0 375.296 2.866 20 0 GFADRO [NH3+]CCN(CCc1ccccc1)S(=O)(=O)Cc1cccc(Br)c1 ZINC000578532540 655481253 /nfs/dbraw/zinc/48/12/53/655481253.db2.gz RQFUZYCUWRYFIU-UHFFFAOYSA-N 1 0 397.338 2.782 20 0 GFADRO Cc1c(Br)cccc1C[NH2+]Cc1cnc(N2CCN(C)CC2)nc1 ZINC000578642976 655483734 /nfs/dbraw/zinc/48/37/34/655483734.db2.gz IXCWRQFSZNKBKL-UHFFFAOYSA-N 1 0 390.329 2.589 20 0 GFADRO CCO[C@@H]1C[C@@]([NH3+])(C(=O)NCc2cc(Br)ccc2OC)C1(C)C ZINC000578646185 655483838 /nfs/dbraw/zinc/48/38/38/655483838.db2.gz RMSPUXITMXSXPQ-RHSMWYFYSA-N 1 0 385.302 2.606 20 0 GFADRO CC(=O)N[C@@]1(c2nc(Cc3ccc(Br)cc3)cs2)CC[NH2+]C1 ZINC000578748818 655486202 /nfs/dbraw/zinc/48/62/02/655486202.db2.gz FDXLWMORMVBEDL-INIZCTEOSA-N 1 0 380.311 2.821 20 0 GFADRO O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)c1ccc(Br)c(F)c1 ZINC000265595323 655486774 /nfs/dbraw/zinc/48/67/74/655486774.db2.gz YTFHEVXYWMXMNM-GFCCVEGCSA-N 1 0 385.277 2.819 20 0 GFADRO CC(C)N(Cc1cccc(Br)c1)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000578864974 655488172 /nfs/dbraw/zinc/48/81/72/655488172.db2.gz HMSJCXBZHZQAEX-INIZCTEOSA-N 1 0 384.318 2.748 20 0 GFADRO C[C@H](CCc1ccc(Br)cc1)NC(=O)NCC1(O)CC[NH+](C)CC1 ZINC000265860643 655492112 /nfs/dbraw/zinc/49/21/12/655492112.db2.gz LNGHUKMAJOIVAW-CQSZACIVSA-N 1 0 398.345 2.526 20 0 GFADRO OC[C@@H](C[NH2+]C[C@@H](O)Cc1ccccc1)Cc1ccc(F)c(Br)c1 ZINC000579108471 655493987 /nfs/dbraw/zinc/49/39/87/655493987.db2.gz CVIVZJJAHIFCOO-SJORKVTESA-N 1 0 396.300 2.932 20 0 GFADRO NC(=O)[C@@H](c1ccc(Br)cc1F)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000265998621 655494721 /nfs/dbraw/zinc/49/47/21/655494721.db2.gz MZOXMMGWLFSUTG-XJKSGUPXSA-N 1 0 384.293 2.675 20 0 GFADRO C[C@H]1CCC[N@H+](CCNC(=O)N(C)C[C@@H](O)c2cccc(Br)c2)C1 ZINC000840253665 661149867 /nfs/dbraw/zinc/14/98/67/661149867.db2.gz QCHOLAKULGJDOB-WMLDXEAASA-N 1 0 398.345 2.856 20 0 GFADRO CC[N@@H+]1CCCN(c2nnc(-c3cc(Br)cn3C)n2C2CC2)CC1 ZINC000579604684 655502110 /nfs/dbraw/zinc/50/21/10/655502110.db2.gz DTOHSOKWLWMFFU-UHFFFAOYSA-N 1 0 393.333 2.913 20 0 GFADRO C[C@@H](NC(=O)C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2)c1cccc(Cl)c1Cl ZINC000579935866 655505843 /nfs/dbraw/zinc/50/58/43/655505843.db2.gz OFGPVCGZAGEUPR-XIKOKIGWSA-N 1 0 384.307 2.773 20 0 GFADRO CC[NH+]1CCC(CCNC(=O)N[C@H](C)c2ncc(Br)cn2)CC1 ZINC000580147761 655508968 /nfs/dbraw/zinc/50/89/68/655508968.db2.gz SZLXMUCTJBFBPD-GFCCVEGCSA-N 1 0 384.322 2.721 20 0 GFADRO O=C(CC[NH2+]CCc1cn2c(n1)SCC2)Nc1cccc(Br)c1 ZINC000580184366 655509445 /nfs/dbraw/zinc/50/94/45/655509445.db2.gz WOMCGILVAHYAEM-UHFFFAOYSA-N 1 0 395.326 2.912 20 0 GFADRO O=C(Nc1ccc(I)cc1Cl)C12CC[NH+](CC1)C2 ZINC000715848494 655522987 /nfs/dbraw/zinc/52/29/87/655522987.db2.gz ULUBGYWSINQCTR-UHFFFAOYSA-N 1 0 376.625 2.979 20 0 GFADRO COc1ccc(Br)cc1C[N@H+](C)Cc1ccc(OCC(N)=O)cc1 ZINC000725794389 655526337 /nfs/dbraw/zinc/52/63/37/655526337.db2.gz CXUDDFFJNWCXGB-UHFFFAOYSA-N 1 0 393.281 2.954 20 0 GFADRO CCC[NH+]1CCC(NC(=O)C[C@](O)(c2nc(C)cs2)C(F)(F)F)CC1 ZINC000726932193 655539962 /nfs/dbraw/zinc/53/99/62/655539962.db2.gz HVEOIACRLUCAKO-HNNXBMFYSA-N 1 0 379.448 2.582 20 0 GFADRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=S)Nc2ccc(Cl)nc2)CC1 ZINC000727085036 655541776 /nfs/dbraw/zinc/54/17/76/655541776.db2.gz SAXMSPKNBBEDSC-GJZGRUSLSA-N 1 0 381.977 2.922 20 0 GFADRO O=C1C(=O)N(c2ccc(Br)cc2)C(=O)N1C[N@@H+]1CCC[C@@H]1C1CC1 ZINC000728559829 655556443 /nfs/dbraw/zinc/55/64/43/655556443.db2.gz LETUUDDBNIRLSW-CQSZACIVSA-N 1 0 392.253 2.576 20 0 GFADRO C[NH+](C)[C@@H](CNS(=O)(=O)c1c(Cl)nc2sccn21)Cc1ccccc1 ZINC000728578001 655556728 /nfs/dbraw/zinc/55/67/28/655556728.db2.gz TVCUDAXUJCQUBE-CYBMUJFWSA-N 1 0 398.941 2.500 20 0 GFADRO CN(C[C@@H](O)c1cccc(Br)c1)C(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000840390633 661159984 /nfs/dbraw/zinc/15/99/84/661159984.db2.gz JKLPBPWSFHHEJH-RHSMWYFYSA-N 1 0 398.345 2.856 20 0 GFADRO O[C@H](COc1ccc(Cl)c(Cl)c1)C[N@@H+]1CCC[C@H](C2OCCO2)C1 ZINC000729544340 655565948 /nfs/dbraw/zinc/56/59/48/655565948.db2.gz ZOIYFFXOWYVELN-STQMWFEESA-N 1 0 376.280 2.818 20 0 GFADRO COC(=O)c1ccc(OCC[NH2+]C[C@H](O)c2cccc(Br)c2)cc1 ZINC000731217224 655582528 /nfs/dbraw/zinc/58/25/28/655582528.db2.gz BCPZYEQPKSFFOV-KRWDZBQOSA-N 1 0 394.265 2.938 20 0 GFADRO COc1ccc(NC(=S)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)cc1Cl ZINC000732719897 655600632 /nfs/dbraw/zinc/60/06/32/655600632.db2.gz DITMEWIJDZHEKH-AWEZNQCLSA-N 1 0 382.961 2.804 20 0 GFADRO C[NH+]1CCC(N2CC[C@H](NC(=O)c3sccc3SC(F)F)C2)CC1 ZINC000732782730 655601614 /nfs/dbraw/zinc/60/16/14/655601614.db2.gz YYUFGYNRZJMQKW-NSHDSACASA-N 1 0 375.510 2.961 20 0 GFADRO O=C1CCCCN1[C@H]1CCC[N@@H+](C[C@H](O)c2ccc(Br)cc2)C1 ZINC000732809668 655602326 /nfs/dbraw/zinc/60/23/26/655602326.db2.gz XPVHFPFJVFOSQY-IRXDYDNUSA-N 1 0 381.314 2.959 20 0 GFADRO CCCOc1ccc(C[NH2+]CC2CCN(S(=O)(=O)C(F)F)CC2)cc1 ZINC000732985664 655605670 /nfs/dbraw/zinc/60/56/70/655605670.db2.gz LURCNXOJWBEHIF-UHFFFAOYSA-N 1 0 376.469 2.829 20 0 GFADRO CC[N@H+](C[C@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@@H](C)CS(=O)(=O)CC ZINC000733199249 655609294 /nfs/dbraw/zinc/60/92/94/655609294.db2.gz WPRNMNAFAIIYMH-JKSUJKDBSA-N 1 0 376.563 2.779 20 0 GFADRO C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2cccc(C3SCCS3)c2)C1 ZINC000733669537 655618878 /nfs/dbraw/zinc/61/88/78/655618878.db2.gz LISFRWVFFRBHMI-ZDUSSCGKSA-N 1 0 379.551 2.514 20 0 GFADRO C[NH+](C)C1(CNC(=S)Nc2ccc(OC(F)(F)F)cc2)CCOCC1 ZINC000733753973 655620833 /nfs/dbraw/zinc/62/08/33/655620833.db2.gz OQVPIKHDKHEDPJ-UHFFFAOYSA-N 1 0 377.432 2.982 20 0 GFADRO CNC(=O)C1([NH2+]CC(=O)Nc2ccc(Br)cc2Cl)CCCC1 ZINC000733896268 655623065 /nfs/dbraw/zinc/62/30/65/655623065.db2.gz OZUBNFOFJRDDJH-UHFFFAOYSA-N 1 0 388.693 2.689 20 0 GFADRO O=C(NCc1ccc(Br)cc1)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000734274839 655628716 /nfs/dbraw/zinc/62/87/16/655628716.db2.gz DRHJNHRAHQDMFK-QGZVFWFLSA-N 1 0 396.329 2.892 20 0 GFADRO C[N@@H+]1CCC[C@H](N2CCN(C(=S)Nc3cccc(Br)c3)CC2)C1 ZINC000734310033 655629024 /nfs/dbraw/zinc/62/90/24/655629024.db2.gz UGQFEBHUVLTVEE-INIZCTEOSA-N 1 0 397.386 2.858 20 0 GFADRO CC[N@H+](CCNC(=O)C(=O)Nc1ccc2nc(SC)sc2c1)C(C)C ZINC000735588344 655649124 /nfs/dbraw/zinc/64/91/24/655649124.db2.gz HBUHSNOZXQJPID-UHFFFAOYSA-N 1 0 380.539 2.803 20 0 GFADRO S=c1n(Cc2cccs2)nnn1CN1CCC[N@@H+](C2CCCC2)CC1 ZINC000738273126 655688670 /nfs/dbraw/zinc/68/86/70/655688670.db2.gz WXANZABQUNBMQQ-UHFFFAOYSA-N 1 0 378.571 2.827 20 0 GFADRO C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)/C=C/c1ccc(Br)o1 ZINC000740684915 655698222 /nfs/dbraw/zinc/69/82/22/655698222.db2.gz UWAVRQAIHNIKDO-SOFGYWHQSA-N 1 0 392.253 2.855 20 0 GFADRO COc1ccc(Br)cc1C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000741693333 655707300 /nfs/dbraw/zinc/70/73/00/655707300.db2.gz PIBXQCJXMACRFS-OAHLLOKOSA-N 1 0 397.313 2.831 20 0 GFADRO C[NH+]1CCC2(CCN2C(=O)c2ccn(-c3cccc(Br)c3)n2)CC1 ZINC000742187861 655711558 /nfs/dbraw/zinc/71/15/58/655711558.db2.gz UMCFKMUVQCQCQV-UHFFFAOYSA-N 1 0 389.297 2.945 20 0 GFADRO C[C@H](NC(=S)NCCCN1CC[NH+](C)CC1)c1ccc(Br)cc1 ZINC000840705718 661177012 /nfs/dbraw/zinc/17/70/12/661177012.db2.gz YDKYRIKGEDOERY-AWEZNQCLSA-N 1 0 399.402 2.612 20 0 GFADRO CC[NH+](CC)C[C@@H]1CCN(C(=O)c2sccc2S(=O)(=O)C(F)F)C1 ZINC000742866825 655722991 /nfs/dbraw/zinc/72/29/91/655722991.db2.gz CLXZVCBUEHGSHJ-NSHDSACASA-N 1 0 380.482 2.548 20 0 GFADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)Nc1c(F)cc(Br)cc1F ZINC000743214286 655727053 /nfs/dbraw/zinc/72/70/53/655727053.db2.gz GMCIHUALMITQJT-WDEREUQCSA-N 1 0 390.228 2.712 20 0 GFADRO OCCCC[NH+]1CCN(Cc2ncc(-c3cccc(Br)c3)o2)CC1 ZINC000746484690 655762460 /nfs/dbraw/zinc/76/24/60/655762460.db2.gz SBBZZHPALXAOFP-UHFFFAOYSA-N 1 0 394.313 2.994 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2C(=S)NCCSc1ccccc1 ZINC000746552365 655763847 /nfs/dbraw/zinc/76/38/47/655763847.db2.gz SMGLIJZCDZIOGN-NJAFHUGGSA-N 1 0 379.595 2.837 20 0 GFADRO CCCN(CC[NH+](C)C)C(=O)CN1C(=S)N=NC1c1ccc(Cl)cc1 ZINC000746600670 655764693 /nfs/dbraw/zinc/76/46/93/655764693.db2.gz YBBMVHQDUNHPNJ-UHFFFAOYSA-N 1 0 381.933 2.687 20 0 GFADRO C[C@H](Sc1ccc(Br)cc1)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000747228912 655774390 /nfs/dbraw/zinc/77/43/90/655774390.db2.gz GVMJKLXJGBYNDH-QEJZJMRPSA-N 1 0 399.354 2.909 20 0 GFADRO COCC[NH+]1CCC(NC(=S)NCc2ccc(Br)cc2)CC1 ZINC000747648369 655781200 /nfs/dbraw/zinc/78/12/00/655781200.db2.gz POTBZLNPYVDMCH-UHFFFAOYSA-N 1 0 386.359 2.524 20 0 GFADRO Cc1ccc(/C=C\C(=O)NCCN2CCC([NH+](C)C)CC2)c(Br)c1 ZINC000748747769 655794810 /nfs/dbraw/zinc/79/48/10/655794810.db2.gz VVEOFAXQPNXOOR-SREVYHEPSA-N 1 0 394.357 2.913 20 0 GFADRO C[NH+](C)CCNC(=S)NNc1cc(C(F)(F)F)ccc1Br ZINC000840870704 661197240 /nfs/dbraw/zinc/19/72/40/661197240.db2.gz VBKBXVAKQJMDFV-UHFFFAOYSA-N 1 0 385.253 2.821 20 0 GFADRO CCOC(=O)C(F)(F)[C@@H]1CC[C@H]([NH2+]Cc2ccccc2S(C)(=O)=O)C1 ZINC000840863273 661196761 /nfs/dbraw/zinc/19/67/61/661196761.db2.gz MXQZHPCGUZWYJK-KGLIPLIRSA-N 1 0 375.437 2.547 20 0 GFADRO C[C@@H]1CN(C(C)(C)C[NH2+]C[C@@H](O)c2ccccc2Br)C[C@@H](C)O1 ZINC000751570171 655830989 /nfs/dbraw/zinc/83/09/89/655830989.db2.gz MAJUGXPFSQHANO-CKEIUWERSA-N 1 0 385.346 2.960 20 0 GFADRO COc1ccc(OC)c([C@H](O)C[NH2+]C[C@H](O)c2ccccc2Br)c1 ZINC000751570357 655831078 /nfs/dbraw/zinc/83/10/78/655831078.db2.gz OLYHXPVBEJCBBC-DLBZAZTESA-N 1 0 396.281 2.823 20 0 GFADRO O[C@@H](C[NH2+][C@H]1CCCN(c2ncccn2)C1)c1ccccc1Br ZINC000751574902 655831198 /nfs/dbraw/zinc/83/11/98/655831198.db2.gz KGXSNRQUDJJSJZ-BBRMVZONSA-N 1 0 377.286 2.531 20 0 GFADRO O[C@@H](C[NH+]1CCC(c2nnc3n2CCC3)CC1)c1ccccc1Br ZINC000751579211 655831275 /nfs/dbraw/zinc/83/12/75/655831275.db2.gz ZVCLMDMNIXCRGN-INIZCTEOSA-N 1 0 391.313 2.900 20 0 GFADRO OCC[C@H]([NH2+]C[C@@H](O)COc1cccc(Br)c1)c1cccs1 ZINC000754389331 655867168 /nfs/dbraw/zinc/86/71/68/655867168.db2.gz RSUPIOXZNFKWEH-HIFRSBDPSA-N 1 0 386.311 2.964 20 0 GFADRO CC[C@H](CO)[NH+]1CCN(C(=O)Nc2ccc3nc(SC)sc3c2)CC1 ZINC000754422467 655867514 /nfs/dbraw/zinc/86/75/14/655867514.db2.gz LJDPWDYMIXTIFD-CYBMUJFWSA-N 1 0 380.539 2.939 20 0 GFADRO Cc1cc(Br)ncc1NC(=O)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000754457221 655868088 /nfs/dbraw/zinc/86/80/88/655868088.db2.gz SRLZERHWYUTPSJ-UHFFFAOYSA-N 1 0 398.349 2.642 20 0 GFADRO COC(=O)C[C@H]([NH2+]CCS(=O)(=O)c1cc(Cl)ccc1Cl)C1CC1 ZINC000754542576 655869444 /nfs/dbraw/zinc/86/94/44/655869444.db2.gz VVQJRGGYJMENQD-ZDUSSCGKSA-N 1 0 380.293 2.698 20 0 GFADRO CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@H]1[NH2+]CCC(C)(C)S(C)(=O)=O ZINC000840876121 661197584 /nfs/dbraw/zinc/19/75/84/661197584.db2.gz LBFCNFOCBWFOKF-LSDHHAIUSA-N 1 0 376.563 2.873 20 0 GFADRO C[C@@H]([NH2+]CC1(CS(C)(=O)=O)CCC1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000840888744 661199078 /nfs/dbraw/zinc/19/90/78/661199078.db2.gz CFJKJPFKKCRKRZ-GFCCVEGCSA-N 1 0 395.493 2.548 20 0 GFADRO CC[C@@H]1CC[N@H+](CN2C(=O)N[C@](C)(c3ccc(Br)cc3)C2=O)C1 ZINC000755926811 655891407 /nfs/dbraw/zinc/89/14/07/655891407.db2.gz XTZIUUFTQXYVCS-SJKOYZFVSA-N 1 0 380.286 2.906 20 0 GFADRO Cc1ccc(N2N=C(Br)C[C@@H]2C(=O)NCC2CC[NH+](C)CC2)cc1 ZINC000756093539 655894646 /nfs/dbraw/zinc/89/46/46/655894646.db2.gz HSMHICOGCDCSDZ-MRXNPFEDSA-N 1 0 393.329 2.740 20 0 GFADRO COC(=O)c1cc(S(=O)(=O)NCC2([NH+](C)C)CCCCC2)ccc1Cl ZINC000757477163 655912023 /nfs/dbraw/zinc/91/20/23/655912023.db2.gz KWVAJCYAVZDYKR-UHFFFAOYSA-N 1 0 388.917 2.669 20 0 GFADRO COC(=O)c1cc(S(=O)(=O)NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)ccc1Cl ZINC000757488536 655912379 /nfs/dbraw/zinc/91/23/79/655912379.db2.gz YHGNEELYXMBROM-OLZOCXBDSA-N 1 0 388.917 2.525 20 0 GFADRO CC(C)(NC(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccccc1Br ZINC000757642538 655914269 /nfs/dbraw/zinc/91/42/69/655914269.db2.gz SVAJSPICSMBGPK-UONOGXRCSA-N 1 0 396.329 2.847 20 0 GFADRO C[NH+](C)C1(CNC(=O)c2cccnc2I)CCCCC1 ZINC000757678361 655915176 /nfs/dbraw/zinc/91/51/76/655915176.db2.gz YINXOIZNXQKPNU-UHFFFAOYSA-N 1 0 387.265 2.681 20 0 GFADRO CCOC(=O)N1CCC([NH2+]C[C@H](CO)Cc2ccc(Br)cc2)CC1 ZINC000758526473 655935008 /nfs/dbraw/zinc/93/50/08/655935008.db2.gz SNSLXEHRGKHHLV-OAHLLOKOSA-N 1 0 399.329 2.811 20 0 GFADRO CC(C)NS(=O)(=O)NCC[NH2+][C@@H]1CCCc2cc(SC(F)F)ccc21 ZINC000760050516 655968006 /nfs/dbraw/zinc/96/80/06/655968006.db2.gz YNAPUAWMSOPWML-OAHLLOKOSA-N 1 0 393.525 2.801 20 0 GFADRO C[NH+]1CCC2(CCN2C(=O)c2cnn(-c3ccccc3)c2Br)CC1 ZINC000760314272 655975582 /nfs/dbraw/zinc/97/55/82/655975582.db2.gz NTADREQLRIOUMU-UHFFFAOYSA-N 1 0 389.297 2.945 20 0 GFADRO CCC[NH+]1CCC(CNS(=O)(=O)c2ccc3nc(Cl)cnc3c2)CC1 ZINC000760854050 655993632 /nfs/dbraw/zinc/99/36/32/655993632.db2.gz MRKPXNQHPJBDKN-UHFFFAOYSA-N 1 0 382.917 2.684 20 0 GFADRO Cc1cc(Br)ccc1C(=O)N1CCC([NH2+][C@@H](CO)C2CC2)CC1 ZINC000760879102 655994085 /nfs/dbraw/zinc/99/40/85/655994085.db2.gz REWSETKWNBMWSO-KRWDZBQOSA-N 1 0 381.314 2.723 20 0 GFADRO C[C@]1(c2cccc(Br)c2)NC(=O)N([C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1=O ZINC000761077422 655998136 /nfs/dbraw/zinc/99/81/36/655998136.db2.gz QJSOAVIMZVCLMZ-RVKKMQEKSA-N 1 0 392.297 2.843 20 0 GFADRO CC[C@@H](C)[N@H+](C)CCN1C(=O)N[C@@](C)(c2cccc(Br)c2)C1=O ZINC000761208087 656003439 /nfs/dbraw/zinc/00/34/39/656003439.db2.gz WCOJHTPVUFEBGA-PXAZEXFGSA-N 1 0 382.302 2.946 20 0 GFADRO CC1=CC[N@H+](CCNC(=O)/C=C/c2ccc(I)o2)CC1 ZINC000762707878 656056618 /nfs/dbraw/zinc/05/66/18/656056618.db2.gz UCGIUAORCHBVNS-HWKANZROSA-N 1 0 386.233 2.666 20 0 GFADRO Cc1sc(Cl)nc1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000762902023 656063348 /nfs/dbraw/zinc/06/33/48/656063348.db2.gz UPJBNLILTJVRDZ-GJZGRUSLSA-N 1 0 379.913 2.718 20 0 GFADRO COC(=O)/C=C1/SCC(=O)N1CCC[N@H+](C)Cc1ccc(Cl)c(F)c1 ZINC000762927367 656064228 /nfs/dbraw/zinc/06/42/28/656064228.db2.gz GLCLTTYSYOUUBM-CXUHLZMHSA-N 1 0 386.876 2.891 20 0 GFADRO O=C(C[NH2+][C@H](CO)C1CC1)N1N=C(c2cccs2)C[C@@H]1c1cccs1 ZINC000763072987 656070725 /nfs/dbraw/zinc/07/07/25/656070725.db2.gz VYGYTKNSSOJSIX-HUUCEWRRSA-N 1 0 375.519 2.848 20 0 GFADRO Cc1cc(Br)ccc1CN(C)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000764778897 656119454 /nfs/dbraw/zinc/11/94/54/656119454.db2.gz JZJUKVACYVWQKD-IAGOWNOFSA-N 1 0 396.329 2.762 20 0 GFADRO OC[C@H](C[C@H](O)c1ccccc1)[NH2+]Cc1cc(Br)cc2c1OCC2 ZINC000764978167 656124952 /nfs/dbraw/zinc/12/49/52/656124952.db2.gz RARSIBYWAOXUKQ-ROUUACIJSA-N 1 0 392.293 2.958 20 0 GFADRO O=C([C@H](O)c1cc(Cl)cc(Cl)c1)N1CC[C@@H](OCC[NH+]2CCCC2)C1 ZINC000765177583 656135408 /nfs/dbraw/zinc/13/54/08/656135408.db2.gz LIJQTTJEUHWSAT-IAGOWNOFSA-N 1 0 387.307 2.740 20 0 GFADRO CS(=O)(=O)Nc1cccc(C[NH2+]C[C@@H](O)c2cccc(Br)c2)c1 ZINC000765288091 656139514 /nfs/dbraw/zinc/13/95/14/656139514.db2.gz YHVGFSMHHPVYAU-MRXNPFEDSA-N 1 0 399.310 2.644 20 0 GFADRO C[C@H](Cc1ccc(F)c(Br)c1)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000765337258 656140393 /nfs/dbraw/zinc/14/03/93/656140393.db2.gz NJKMKEBMNRXAGD-SNPRPXQTSA-N 1 0 399.304 2.746 20 0 GFADRO COc1cc(C)ccc1[C@@H](C)[NH2+]C1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000766561979 656175860 /nfs/dbraw/zinc/17/58/60/656175860.db2.gz GJYINXCVTOTWLW-GFCCVEGCSA-N 1 0 380.432 2.968 20 0 GFADRO C[C@@H]1CN(C(=O)Nc2cnc(Br)c(Br)c2)[C@H](C)C[NH2+]1 ZINC000841141774 661236946 /nfs/dbraw/zinc/23/69/46/661236946.db2.gz KNENUDYVGJTSDL-HTQZYQBOSA-N 1 0 392.095 2.821 20 0 GFADRO CCO[C@@H](CC[NH+](C)C)CNC(=O)Nc1cnc(Cl)c(Br)c1 ZINC000767898403 656225954 /nfs/dbraw/zinc/22/59/54/656225954.db2.gz ZRQHITPTZWQYGV-NSHDSACASA-N 1 0 393.713 2.976 20 0 GFADRO Cc1nc(Cc2nn(CN3CCC[C@@H]4C[N@H+](C)CC[C@H]43)c(=S)o2)cs1 ZINC000768501820 656240263 /nfs/dbraw/zinc/24/02/63/656240263.db2.gz XAJWHLHIYICJLU-UKRRQHHQSA-N 1 0 379.555 2.935 20 0 GFADRO CC[NH2+]CCNC(=O)C(=O)Nc1ccccc1SC[C@H]1CC1(Cl)Cl ZINC000841165049 661240624 /nfs/dbraw/zinc/24/06/24/661240624.db2.gz OWJBEPMOXRCQRL-LLVKDONJSA-N 1 0 390.336 2.637 20 0 GFADRO C[NH+](C)[C@H](CNC(=S)NC[C@H]1CCCO1)c1cccc(C(F)(F)F)c1 ZINC000768786008 656251232 /nfs/dbraw/zinc/25/12/32/656251232.db2.gz QEPJCHDXYOKJHU-HUUCEWRRSA-N 1 0 375.460 2.951 20 0 GFADRO CSc1nc2ccc(NC(=O)C(=O)N(C)CC[C@H]([NH3+])C(C)C)cc2s1 ZINC000841193185 661243274 /nfs/dbraw/zinc/24/32/74/661243274.db2.gz QFJKTYFBCWQVAM-LBPRGKRZSA-N 1 0 380.539 2.789 20 0 GFADRO Cc1nc(Br)sc1C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000841203431 661244007 /nfs/dbraw/zinc/24/40/07/661244007.db2.gz OOBCJTJVQOKFMI-UHFFFAOYSA-N 1 0 384.303 2.930 20 0 GFADRO CC[C@H]1CN(C(=O)C(=O)Nc2ccc3nc(SC)sc3c2)CC[C@H]1[NH3+] ZINC000841227705 661245928 /nfs/dbraw/zinc/24/59/28/661245928.db2.gz LTPJBYMCIBSHTR-CMPLNLGQSA-N 1 0 378.523 2.543 20 0 GFADRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)c2nccn3c(Br)cnc23)C1 ZINC000770071519 656304865 /nfs/dbraw/zinc/30/48/65/656304865.db2.gz UZOWDXOQHYSMNB-CYBMUJFWSA-N 1 0 394.317 2.590 20 0 GFADRO C[C@H](CNC(=O)c1cccnc1I)[NH+]1CCC(C)CC1 ZINC000770481554 656320459 /nfs/dbraw/zinc/32/04/59/656320459.db2.gz PNWKVJVXOQUSAE-GFCCVEGCSA-N 1 0 387.265 2.536 20 0 GFADRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1cccnc1I ZINC000770552083 656322953 /nfs/dbraw/zinc/32/29/53/656322953.db2.gz HABZEILCEONZPB-NEPJUHHUSA-N 1 0 387.265 2.536 20 0 GFADRO Cc1ccsc1-c1nsc(NC(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)n1 ZINC000771268380 656344636 /nfs/dbraw/zinc/34/46/36/656344636.db2.gz IGJUUIUELBHNMT-VXGBXAGGSA-N 1 0 379.511 2.560 20 0 GFADRO C[NH+]1CCC2(CCN2C(=O)Cc2ccccc2I)CC1 ZINC000771585256 656355244 /nfs/dbraw/zinc/35/52/44/656355244.db2.gz MQZSRJIVFZAHOB-UHFFFAOYSA-N 1 0 384.261 2.530 20 0 GFADRO CC[NH+](CC)CCOC(=O)c1ccc(OC)cc1I ZINC000772186982 656374917 /nfs/dbraw/zinc/37/49/17/656374917.db2.gz GNUBHRJFXIUGFH-UHFFFAOYSA-N 1 0 377.222 2.798 20 0 GFADRO CC[N@@H+]1CC[C@H](CNC(=O)c2cc(=O)c3cc(Br)ccc3o2)C1 ZINC000841383991 661256949 /nfs/dbraw/zinc/25/69/49/661256949.db2.gz RKUBBCODKOKCBS-LLVKDONJSA-N 1 0 379.254 2.627 20 0 GFADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)Nc1cc2c(cc1Br)CCC2 ZINC000772547963 656382587 /nfs/dbraw/zinc/38/25/87/656382587.db2.gz MGBDHDZZMUOPIE-CABCVRRESA-N 1 0 394.313 2.923 20 0 GFADRO C[NH+](C)C1CCN(C(=O)c2cc(=O)c3cc(Br)ccc3o2)CC1 ZINC000841390440 661258480 /nfs/dbraw/zinc/25/84/80/661258480.db2.gz DQXGVIBQBGQBBJ-UHFFFAOYSA-N 1 0 379.254 2.722 20 0 GFADRO CN(CC[C@@H]1CCCC[N@@H+]1C)S(=O)(=O)c1ccc2nc(Cl)cnc2c1 ZINC000772942645 656394678 /nfs/dbraw/zinc/39/46/78/656394678.db2.gz CBNOWDCWHWYHLO-ZDUSSCGKSA-N 1 0 382.917 2.778 20 0 GFADRO O=C(NCc1cnc(Br)cn1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000773506845 656454632 /nfs/dbraw/zinc/45/46/32/656454632.db2.gz XEBPNUDEXZWIQT-HNNXBMFYSA-N 1 0 389.297 2.768 20 0 GFADRO C[N@H+](CCOC(=O)c1cc[nH]c(=O)c1Br)Cc1ccc(F)cc1 ZINC000773646693 656464962 /nfs/dbraw/zinc/46/49/62/656464962.db2.gz WXXUZUOUSRSNJD-UHFFFAOYSA-N 1 0 383.217 2.978 20 0 GFADRO C[C@H](CN1CCOCC1)[NH2+]C1CCN(Cc2ccccc2Br)CC1 ZINC000774394199 656525221 /nfs/dbraw/zinc/52/52/21/656525221.db2.gz ODQAQCUZWLPQDD-MRXNPFEDSA-N 1 0 396.373 2.724 20 0 GFADRO COC(=O)c1cc(NC(=S)NC2CC[NH+](C)CC2)ccc1Br ZINC000774565858 656537877 /nfs/dbraw/zinc/53/78/77/656537877.db2.gz PRVBCBREGMTSDG-UHFFFAOYSA-N 1 0 386.315 2.616 20 0 GFADRO CCNC(=O)N1CC[C@H]([NH2+]Cc2nc3ccc(Br)cc3s2)C1 ZINC000775001645 656584250 /nfs/dbraw/zinc/58/42/50/656584250.db2.gz BSIWXPHREMVDOP-NSHDSACASA-N 1 0 383.315 2.952 20 0 GFADRO C[C@@H]([NH2+]CCCCS(C)(=O)=O)c1cc2c(cc1Br)OCCO2 ZINC000775184379 656611050 /nfs/dbraw/zinc/61/10/50/656611050.db2.gz JYDWCOHIFDPCRO-LLVKDONJSA-N 1 0 392.315 2.696 20 0 GFADRO C[C@@H](Cc1cnccn1)[NH2+][C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000775498182 656644204 /nfs/dbraw/zinc/64/42/04/656644204.db2.gz YBKPCDWQPRQEKT-NHYWBVRUSA-N 1 0 396.310 2.678 20 0 GFADRO O=C1C[C@H]([C@@H]2CCCC[N@H+]2C[C@@H](O)c2ccc(F)c(Br)c2)CN1 ZINC000775645283 656659225 /nfs/dbraw/zinc/65/92/25/656659225.db2.gz AQEIMYDRLJFPSO-VBNZEHGJSA-N 1 0 385.277 2.612 20 0 GFADRO CCOC(=O)c1cc(S(=O)(=O)N(CC)CCC[NH+](C)C)c(F)cc1Cl ZINC000841518281 661285270 /nfs/dbraw/zinc/28/52/70/661285270.db2.gz LWEAPAAPIHPDIE-UHFFFAOYSA-N 1 0 394.896 2.618 20 0 GFADRO COC(=O)N1CCC[C@H]([C@H](C)[NH2+]C[C@H](O)c2cccc(Br)c2)C1 ZINC000775813403 656682353 /nfs/dbraw/zinc/68/23/53/656682353.db2.gz RPOHDXLEKHNJQQ-NOLJZWGESA-N 1 0 385.302 2.939 20 0 GFADRO COC(=O)N1CCC[C@@H]([C@H](C)[NH2+]CCS(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000775812615 656682419 /nfs/dbraw/zinc/68/24/19/656682419.db2.gz OOMQRNJLAVFLFK-UONOGXRCSA-N 1 0 388.917 2.570 20 0 GFADRO C[C@@H](C1CC1)[NH+]1CCN(C(=O)c2ccccc2I)CC1 ZINC000777912339 656841804 /nfs/dbraw/zinc/84/18/04/656841804.db2.gz RUXHVABRSGDUOI-LBPRGKRZSA-N 1 0 384.261 2.848 20 0 GFADRO O=C(c1cc(C(F)(F)F)cnc1Cl)N1CC[NH+](C2CCOCC2)CC1 ZINC000779799406 656943836 /nfs/dbraw/zinc/94/38/36/656943836.db2.gz BWTOHZVHMUATJL-UHFFFAOYSA-N 1 0 377.794 2.691 20 0 GFADRO C[C@@H]1CN(Cn2nc(C(F)(F)F)sc2=S)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000780436753 657006072 /nfs/dbraw/zinc/00/60/72/657006072.db2.gz ICPPFJKLNHDOET-NEPJUHHUSA-N 1 0 395.520 2.608 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2Cn1nc(C(F)(F)F)sc1=S ZINC000780443481 657006375 /nfs/dbraw/zinc/00/63/75/657006375.db2.gz JYZLVFKCTHHJMQ-GMTAPVOTSA-N 1 0 382.477 2.834 20 0 GFADRO C[NH+](C)[C@]1(CNC(=O)c2cn(C(C)(C)C)nc2Br)CCSC1 ZINC000780610150 657017732 /nfs/dbraw/zinc/01/77/32/657017732.db2.gz KOWCUEHGUKBVDY-HNNXBMFYSA-N 1 0 389.363 2.568 20 0 GFADRO CCOc1ccc(Br)cc1S(=O)(=O)NCC[N@@H+]1CCC[C@@H]1C ZINC000780867562 657033841 /nfs/dbraw/zinc/03/38/41/657033841.db2.gz PZHCISZLVDNWTO-LBPRGKRZSA-N 1 0 391.331 2.610 20 0 GFADRO COc1ccc(OC)c([C@H](O)C[NH2+][C@@H](CO)c2ccc(Br)cc2)c1 ZINC000782077897 657100584 /nfs/dbraw/zinc/10/05/84/657100584.db2.gz IIOARHKEUUHLPQ-DLBZAZTESA-N 1 0 396.281 2.823 20 0 GFADRO CSCCCCCCNC(=S)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000782208702 657115274 /nfs/dbraw/zinc/11/52/74/657115274.db2.gz WTPZRHSEVNTDIB-ZWKOTPCHSA-N 1 0 386.675 2.742 20 0 GFADRO C[C@@H]1CCC[N@@H+]1CCNC(=O)c1cnn(-c2ccccc2)c1Br ZINC000783920756 657274000 /nfs/dbraw/zinc/27/40/00/657274000.db2.gz OKFSWFGEGHLIBN-CYBMUJFWSA-N 1 0 377.286 2.849 20 0 GFADRO Cn1nc(Br)cc1C[NH2+][C@H](Cc1ccccc1)C(=O)N1CCCC1 ZINC000785443100 657365497 /nfs/dbraw/zinc/36/54/97/657365497.db2.gz UXFZKWBXWUOTQA-MRXNPFEDSA-N 1 0 391.313 2.506 20 0 GFADRO O=C(Cc1ccc(Br)c(Cl)c1)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000786849289 657473824 /nfs/dbraw/zinc/47/38/24/657473824.db2.gz HBILIFQLFKOIIQ-CHWSQXEVSA-N 1 0 387.705 2.624 20 0 GFADRO O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)c1ncc(Br)cn1 ZINC000786999730 657503184 /nfs/dbraw/zinc/50/31/84/657503184.db2.gz OPDVCEGUPMXUII-LBPRGKRZSA-N 1 0 381.299 2.868 20 0 GFADRO O=C(COC(=O)[C@@H]1C[C@H]1c1ccc(Cl)s1)NC1CC[NH+](C2CC2)CC1 ZINC000787143891 657521836 /nfs/dbraw/zinc/52/18/36/657521836.db2.gz JOANKGUAVBITBD-ZIAGYGMSSA-N 1 0 382.913 2.791 20 0 GFADRO COC(=O)[C@@H]1CC[N@H+](Cn2nc(-c3ccc(Br)cc3)nc2C)[C@@H]1C ZINC000787239356 657531188 /nfs/dbraw/zinc/53/11/88/657531188.db2.gz NOBJMIWCAWWKHB-IAQYHMDHSA-N 1 0 393.285 2.857 20 0 GFADRO CC(C)[C@H](C(=O)Nc1ccc(N2CCN(C)CC2)c(Br)c1)[NH+](C)C ZINC000787674314 657584283 /nfs/dbraw/zinc/58/42/83/657584283.db2.gz MOQKAVFXQQGFEC-QGZVFWFLSA-N 1 0 397.361 2.726 20 0 GFADRO C[NH+](C)CCOCCNC(=O)N1CCC[C@@H]1Cc1ccc(Br)cc1 ZINC000788013133 657633930 /nfs/dbraw/zinc/63/39/30/657633930.db2.gz HHWOXDPHMADTCE-QGZVFWFLSA-N 1 0 398.345 2.744 20 0 GFADRO COc1cc(C(=O)NC[C@@H](c2cccs2)[NH+](C)C)cnc1Br ZINC000788131016 657655752 /nfs/dbraw/zinc/65/57/52/657655752.db2.gz QFLFZZXYBJRUKF-NSHDSACASA-N 1 0 384.299 2.947 20 0 GFADRO COc1cc(C(=O)NC[C@H](c2ccsc2)[NH+](C)C)cnc1Br ZINC000788151676 657660824 /nfs/dbraw/zinc/66/08/24/657660824.db2.gz PLJAZTNDNHLCJS-GFCCVEGCSA-N 1 0 384.299 2.947 20 0 GFADRO COc1cc(C(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)cnc1Br ZINC000788161583 657662601 /nfs/dbraw/zinc/66/26/01/657662601.db2.gz SSLFOWWCTGKALJ-BETUJISGSA-N 1 0 384.318 2.951 20 0 GFADRO COc1cc(C(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)cnc1Br ZINC000788175429 657666940 /nfs/dbraw/zinc/66/69/40/657666940.db2.gz OJBGVOQWMXCYNL-HNNXBMFYSA-N 1 0 392.297 2.755 20 0 GFADRO CC[NH+](CC)[C@H](C)CNS(=O)(=O)c1sc(C(=O)OC)c(Cl)c1C ZINC000788597757 657750552 /nfs/dbraw/zinc/75/05/52/657750552.db2.gz XCJDPQJDSVUQLP-SECBINFHSA-N 1 0 382.935 2.505 20 0 GFADRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NS(=O)(=O)c1ccc2nc(Cl)cnc2c1 ZINC000788911376 657795621 /nfs/dbraw/zinc/79/56/21/657795621.db2.gz AWTZSOHAQFWFNS-OLZOCXBDSA-N 1 0 382.917 2.682 20 0 GFADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1ccc(Br)nc1OC ZINC000789383504 657846132 /nfs/dbraw/zinc/84/61/32/657846132.db2.gz SMQZTXKGUVZESI-NEPJUHHUSA-N 1 0 383.290 2.943 20 0 GFADRO Cc1ccc(S(=O)(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)c(Cl)n1 ZINC000790019913 657910810 /nfs/dbraw/zinc/91/08/10/657910810.db2.gz TVAKONCXEJADIJ-MRXNPFEDSA-N 1 0 379.913 2.986 20 0 GFADRO CC(C)[NH+]1CCN(CCCOC(=O)c2ccc(Br)c(N)c2)CC1 ZINC000792069201 658227815 /nfs/dbraw/zinc/22/78/15/658227815.db2.gz PKVDYLCIABUMJZ-UHFFFAOYSA-N 1 0 384.318 2.604 20 0 GFADRO CN(Cn1c(=O)oc2cc(F)c(Br)cc21)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000792704759 658313472 /nfs/dbraw/zinc/31/34/72/658313472.db2.gz DNDOOTBQCSVHTB-NSHDSACASA-N 1 0 384.249 2.622 20 0 GFADRO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=S)NCCCCC(F)(F)F)CC1 ZINC000794977678 658643463 /nfs/dbraw/zinc/64/34/63/658643463.db2.gz GFDKXEOTGYKFMB-HNNXBMFYSA-N 1 0 380.524 2.695 20 0 GFADRO O=C1c2c(cccc2Br)CN1CN1CCC[C@H]1C[NH+]1CCCC1 ZINC000795428943 658817867 /nfs/dbraw/zinc/81/78/67/658817867.db2.gz RCPQFZIWWXHGJR-HNNXBMFYSA-N 1 0 378.314 2.923 20 0 GFADRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2CN2Cc3cccc(Br)c3C2=O)C1 ZINC000795438271 658818913 /nfs/dbraw/zinc/81/89/13/658818913.db2.gz RVFKANJEDNATMB-XJKSGUPXSA-N 1 0 378.314 2.779 20 0 GFADRO CN(CCC[N@H+](C)Cc1ccco1)Cn1ncn(CC(F)(F)F)c1=S ZINC000795754561 658847646 /nfs/dbraw/zinc/84/76/46/658847646.db2.gz XGIPBYJQIFPFJR-UHFFFAOYSA-N 1 0 377.436 2.981 20 0 GFADRO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]CC1(C(F)(F)F)CC1 ZINC000796489260 658919589 /nfs/dbraw/zinc/91/95/89/658919589.db2.gz KRHGEDKLRKJJHU-JTQLQIEISA-N 1 0 385.839 2.637 20 0 GFADRO COc1c[nH+]ccc1N1CCN(C[C@H](O)c2cccc(Br)c2)CC1 ZINC000796575434 658924071 /nfs/dbraw/zinc/92/40/71/658924071.db2.gz MZZCPVGRTDKMCM-KRWDZBQOSA-N 1 0 392.297 2.708 20 0 GFADRO C[C@H](C[C@@H](C)[NH2+]CCn1cc(Br)cn1)NC(=O)OC(C)(C)C ZINC000797115372 658981785 /nfs/dbraw/zinc/98/17/85/658981785.db2.gz CYESTHSXCFKSIN-VXGBXAGGSA-N 1 0 375.311 2.927 20 0 GFADRO C[C@@H](C[C@H](C)[NH2+]CCn1cc(Br)cn1)NC(=O)OC(C)(C)C ZINC000797115371 658982002 /nfs/dbraw/zinc/98/20/02/658982002.db2.gz CYESTHSXCFKSIN-RYUDHWBXSA-N 1 0 375.311 2.927 20 0 GFADRO CCOC(=O)C(F)(F)[C@H]1CC[C@H]([NH2+]CCn2cc(Br)cn2)C1 ZINC000797117683 658983351 /nfs/dbraw/zinc/98/33/51/658983351.db2.gz MTDCWZCXMWYBHT-JQWIXIFHSA-N 1 0 380.233 2.602 20 0 GFADRO CNC(=O)[C@]1(C)CC[N@H+](Cn2nc(C)nc2-c2ccc(Cl)c(Cl)c2)C1 ZINC000797416260 659019153 /nfs/dbraw/zinc/01/91/53/659019153.db2.gz KKWBCLWRCHXSKQ-QGZVFWFLSA-N 1 0 382.295 2.976 20 0 GFADRO COCCC(=O)N1CCC([NH2+][C@@H](C)c2nc(Br)ccc2F)CC1 ZINC000798182535 659079995 /nfs/dbraw/zinc/07/99/95/659079995.db2.gz UMTCJCUMUWDCFQ-NSHDSACASA-N 1 0 388.281 2.661 20 0 GFADRO C[C@@]1(CNC(=O)Cn2cc(Br)cn2)CC[N@H+](Cc2ccccc2)C1 ZINC000798527660 659115429 /nfs/dbraw/zinc/11/54/29/659115429.db2.gz XERFMRLCIOXSGR-SFHVURJKSA-N 1 0 391.313 2.674 20 0 GFADRO O=C(NC[C@H](O)c1cccc(Br)c1)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000799980547 659253925 /nfs/dbraw/zinc/25/39/25/659253925.db2.gz OQTGUQUKWKCHLM-SJORKVTESA-N 1 0 396.329 2.799 20 0 GFADRO O=C(OCCC[NH+]1CCCC1)c1ccnc(Cl)c1I ZINC000800221990 659294288 /nfs/dbraw/zinc/29/42/88/659294288.db2.gz ZWTLNRLDLHRLSA-UHFFFAOYSA-N 1 0 394.640 2.982 20 0 GFADRO O[C@@H](C[NH2+]Cc1cnc(N2CCCC2)nc1)c1cccc(Br)c1 ZINC000800289940 659299077 /nfs/dbraw/zinc/29/90/77/659299077.db2.gz SMCNYRHIDPTNDD-INIZCTEOSA-N 1 0 377.286 2.663 20 0 GFADRO CC[C@](O)(C(=O)N1C[C@@H](SC)[C@H]([NH+]2CCCC2)C1)c1cccc(Cl)c1 ZINC000800533935 659315453 /nfs/dbraw/zinc/31/54/53/659315453.db2.gz FYJCWPPFKXAJSD-ZHALLVOQSA-N 1 0 382.957 2.976 20 0 GFADRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)NC[C@H](O)c2cccc(Br)c2)C1 ZINC000800705484 659327589 /nfs/dbraw/zinc/32/75/89/659327589.db2.gz MSMHIOFLQCGWHI-PBHICJAKSA-N 1 0 398.345 2.902 20 0 GFADRO COc1cccc([C@H](CNC(=O)c2c(C)nn(C)c2Br)[NH+](C)C)c1 ZINC000801082628 659366739 /nfs/dbraw/zinc/36/67/39/659366739.db2.gz CRSXJHMBSJLTSS-AWEZNQCLSA-N 1 0 395.301 2.532 20 0 GFADRO Cc1nn(C)c(Br)c1C(=O)Nc1ccc(C)cc1OCC[NH+](C)C ZINC000801159983 659372457 /nfs/dbraw/zinc/37/24/57/659372457.db2.gz RDWCRMJSLWMIDO-UHFFFAOYSA-N 1 0 395.301 2.992 20 0 GFADRO Cc1cc(Br)ncc1NC(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000801636481 659407954 /nfs/dbraw/zinc/40/79/54/659407954.db2.gz JJGQCFOAVBCFRZ-CQSZACIVSA-N 1 0 397.317 2.729 20 0 GFADRO Cc1cnc(Br)cc1NC(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000801720881 659419955 /nfs/dbraw/zinc/41/99/55/659419955.db2.gz BBBCQFAWNDDLOE-CQSZACIVSA-N 1 0 397.317 2.729 20 0 GFADRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)NC[C@@H](O)c2cccc(Br)c2)C1 ZINC000801758082 659424594 /nfs/dbraw/zinc/42/45/94/659424594.db2.gz IBNSRIUJGONZIZ-OWCLPIDISA-N 1 0 384.318 2.655 20 0 GFADRO C[N@@H+]1CCCC[C@@H]1CCC(=O)O[C@H](C(N)=O)c1ccc(Br)cc1 ZINC000803858591 659611340 /nfs/dbraw/zinc/61/13/40/659611340.db2.gz GZWKORFFJXAWLK-ZBFHGGJFSA-N 1 0 383.286 2.783 20 0 GFADRO C[C@@H](NS(=O)(=O)c1cnc(Cl)c(F)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000805058433 659730319 /nfs/dbraw/zinc/73/03/19/659730319.db2.gz SMZKOSCCISXRAE-VXGBXAGGSA-N 1 0 375.897 2.805 20 0 GFADRO C[C@H]([NH2+]C[C@@H](O)Cc1cccc(Cl)c1)c1cccc(NS(C)(=O)=O)c1 ZINC000805748757 659806959 /nfs/dbraw/zinc/80/69/59/659806959.db2.gz GCFHIFYIJFEONI-UGSOOPFHSA-N 1 0 382.913 2.966 20 0 GFADRO CNC(=O)OC[C@@H]1CCCC[N@@H+]1C[C@H](O)COc1c(Cl)cccc1Cl ZINC000805828713 659808160 /nfs/dbraw/zinc/80/81/60/659808160.db2.gz PHTFOGQROUJFFE-STQMWFEESA-N 1 0 391.295 2.944 20 0 GFADRO COc1c(C)cc([C@@H](C)[NH2+][C@@H]2CCCN(S(=O)(=O)N(C)C)C2)cc1Cl ZINC000806171125 659826861 /nfs/dbraw/zinc/82/68/61/659826861.db2.gz UREVHCGEFAQIPG-UKRRQHHQSA-N 1 0 389.949 2.578 20 0 GFADRO CN(CC(F)(F)Br)C(=O)Nc1ccccc1N1CC[NH+](C)CC1 ZINC000806170293 659826885 /nfs/dbraw/zinc/82/68/85/659826885.db2.gz PWRQBVIMRPWIKW-UHFFFAOYSA-N 1 0 391.260 2.890 20 0 GFADRO Cc1nc(NC(=O)CC[C@@H]2CCCC[N@@H+]2C)sc1C1N=NC(=S)N1C ZINC000806386280 659831104 /nfs/dbraw/zinc/83/11/04/659831104.db2.gz IUHNGIYGZIGJAO-NSHDSACASA-N 1 0 380.543 2.739 20 0 GFADRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1Cn1nnn(-c2ccc(Cl)cc2)c1=S ZINC000808191852 659881154 /nfs/dbraw/zinc/88/11/54/659881154.db2.gz OJMNWJLYMUFOJG-CZUORRHYSA-N 1 0 378.933 2.968 20 0 GFADRO C[NH+](C)CCCOc1cnccc1CNC(=S)Nc1ccc(Cl)nc1 ZINC000809161689 659918748 /nfs/dbraw/zinc/91/87/48/659918748.db2.gz IOTOTKKNUIIKOV-UHFFFAOYSA-N 1 0 379.917 2.947 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+]C[C@H]2COC3(CCCCCC3)O2)cc1Cl ZINC000809425389 659927524 /nfs/dbraw/zinc/92/75/24/659927524.db2.gz KVULNAVEYSYHLO-AWEZNQCLSA-N 1 0 388.917 2.543 20 0 GFADRO C[NH+](C)C1CCN(C(=O)Cc2noc(-c3cc(Cl)ncc3Cl)n2)CC1 ZINC000809478416 659928695 /nfs/dbraw/zinc/92/86/95/659928695.db2.gz HZUGOTIORHBRAS-UHFFFAOYSA-N 1 0 384.267 2.534 20 0 GFADRO C[C@H](O)c1ncc(C[NH2+]C[C@@H](CO)Cc2ccc(Br)cc2)s1 ZINC000809654141 659935515 /nfs/dbraw/zinc/93/55/15/659935515.db2.gz SHLHBBOMSWLCFH-AAEUAGOBSA-N 1 0 385.327 2.900 20 0 GFADRO O=S(=O)(CCOCC(F)(F)F)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000809811066 659940719 /nfs/dbraw/zinc/94/07/19/659940719.db2.gz BRZRAVHXJFHGPJ-UHFFFAOYSA-N 1 0 386.480 2.529 20 0 GFADRO CC[NH+](CC)CCS(=O)(=O)NCC[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC000810074810 659959320 /nfs/dbraw/zinc/95/93/20/659959320.db2.gz ZSTVILVWEZNUJQ-HNNXBMFYSA-N 1 0 383.341 2.678 20 0 GFADRO C[C@H]([NH2+]C[C@]1(N2CCOCC2)CCSC1)c1ccc(Br)nc1 ZINC000810212956 659966799 /nfs/dbraw/zinc/96/67/99/659966799.db2.gz HYZGLYDRBFRQDS-XJKSGUPXSA-N 1 0 386.359 2.703 20 0 GFADRO CCS(=O)(=O)N1CCC(C[NH2+][C@H](C)c2ccc(Br)nc2)CC1 ZINC000810236660 659967510 /nfs/dbraw/zinc/96/75/10/659967510.db2.gz KVAMDBZBLFCEKQ-GFCCVEGCSA-N 1 0 390.347 2.556 20 0 GFADRO Cc1ccc(Br)cc1C(=O)O[C@@H]1CCCN(c2cc[nH+]c(N)n2)C1 ZINC000810760792 659984978 /nfs/dbraw/zinc/98/49/78/659984978.db2.gz CIZPMUGKXLKLGV-CYBMUJFWSA-N 1 0 391.269 2.956 20 0 GFADRO O=C(COC(=O)c1cc2cc(Cl)sc2[nH]1)NC1CC[NH+](C2CC2)CC1 ZINC000811393332 660007563 /nfs/dbraw/zinc/00/75/63/660007563.db2.gz FEERJDXAYOONBK-UHFFFAOYSA-N 1 0 381.885 2.783 20 0 GFADRO COc1cccc(C(=O)C(C(=S)NCCCSC)[n+]2ccccc2)n1 ZINC000811724640 660014840 /nfs/dbraw/zinc/01/48/40/660014840.db2.gz OSIXPRRIIOLPFI-UHFFFAOYSA-O 1 0 376.527 2.932 20 0 GFADRO CSC1(CNC(=O)NC[C@@](C)(O)c2cccc(Cl)c2)CC[NH+](C)CC1 ZINC000811941040 660017968 /nfs/dbraw/zinc/01/79/68/660017968.db2.gz ZKHXIOLPGAEGGW-QGZVFWFLSA-N 1 0 385.961 2.674 20 0 GFADRO CSC1(CNC(=O)NC[C@@H](O)c2ccc(Cl)c(F)c2)CC[NH+](C)CC1 ZINC000811945268 660018139 /nfs/dbraw/zinc/01/81/39/660018139.db2.gz ZUBDJQARMGSMRX-OAHLLOKOSA-N 1 0 389.924 2.639 20 0 GFADRO CCC[N@H+](CC)C[C@@H](C)NC(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000812383965 660026104 /nfs/dbraw/zinc/02/61/04/660026104.db2.gz CMZDDLRJXQWELM-GFCCVEGCSA-N 1 0 380.432 2.830 20 0 GFADRO Cc1cnc(Br)c(NC(=O)NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000813001505 660039499 /nfs/dbraw/zinc/03/94/99/660039499.db2.gz HGQSINUOXDWWJV-BETUJISGSA-N 1 0 385.306 2.773 20 0 GFADRO Cc1cnc(Br)c(NC(=O)N2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000813006397 660040195 /nfs/dbraw/zinc/04/01/95/660040195.db2.gz ICIRCVIJNKHTPG-UHFFFAOYSA-N 1 0 376.258 2.902 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2nc(C3CC3)ncc2Br)[C@@H](C)C1 ZINC000813814596 660065329 /nfs/dbraw/zinc/06/53/29/660065329.db2.gz SALIBJIUKYJVIC-SMDDNHRTSA-N 1 0 381.318 2.919 20 0 GFADRO CC[C@H](NC(=S)NCC(=O)NCC[NH+]1CCCCCC1)c1cccs1 ZINC000814206978 660074374 /nfs/dbraw/zinc/07/43/74/660074374.db2.gz NPRSMARGZXLAOE-HNNXBMFYSA-N 1 0 382.599 2.656 20 0 GFADRO C[C@](O)(C[N@@H+]1CCC[C@@H](OCCO)C1)c1ccc(Br)cc1Cl ZINC000815048843 660107160 /nfs/dbraw/zinc/10/71/60/660107160.db2.gz QCIRAGZLPLAELY-CJNGLKHVSA-N 1 0 392.721 2.783 20 0 GFADRO C[C@@](O)(C[N@@H+]1CC[C@@H](n2cncn2)C1)c1ccc(Br)cc1Cl ZINC000815094985 660111445 /nfs/dbraw/zinc/11/14/45/660111445.db2.gz KHFAJVKBEKVCHI-IUODEOHRSA-N 1 0 385.693 2.849 20 0 GFADRO CC[NH+](CC)CC(C)(C)COC(=O)c1cnn(C)c1I ZINC000816091885 660143287 /nfs/dbraw/zinc/14/32/87/660143287.db2.gz LYHGRDHSGCCLIZ-UHFFFAOYSA-N 1 0 393.269 2.550 20 0 GFADRO O=C(NC[C@H]1CCCC[N@@H+]1C1CC1)c1cn2c(Br)cnc2s1 ZINC000816496798 660158882 /nfs/dbraw/zinc/15/88/82/660158882.db2.gz XYFMUEHXACIQIX-LLVKDONJSA-N 1 0 383.315 2.905 20 0 GFADRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1cn2c(Br)cnc2s1 ZINC000816662926 660164688 /nfs/dbraw/zinc/16/46/88/660164688.db2.gz CZHNSQLQTYWWTO-WDEREUQCSA-N 1 0 383.315 2.857 20 0 GFADRO C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)c1ccnc(Cl)c1I ZINC000816767792 660168203 /nfs/dbraw/zinc/16/82/03/660168203.db2.gz GCEGJNLHLVTETN-WCBMZHEXSA-N 1 0 393.656 2.504 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)[C@H]1CSC(c2ccccc2O)=N1)c1cccs1 ZINC000816815779 660169439 /nfs/dbraw/zinc/16/94/39/660169439.db2.gz CSUCVVIPZKWPIV-KGLIPLIRSA-N 1 0 375.519 2.735 20 0 GFADRO COC(=O)c1cc(S(=O)(=O)N(C)C(C)(C)C[NH+]2CCCC2)ccc1Cl ZINC000841572545 661305338 /nfs/dbraw/zinc/30/53/38/661305338.db2.gz PLKYINMREWOJAY-UHFFFAOYSA-N 1 0 388.917 2.622 20 0 GFADRO C[C@@H]1CN(C(=O)Nc2cnc(Cl)c(C(F)(F)F)c2)[C@H](C)CN1CCO ZINC000841798895 661314161 /nfs/dbraw/zinc/31/41/61/661314161.db2.gz NGAFAFDFLUCBDZ-NXEZZACHSA-N 1 0 380.798 2.673 20 0 GFADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)Nc1cnc(Cl)c(C(F)(F)F)c1 ZINC000841800060 661314685 /nfs/dbraw/zinc/31/46/85/661314685.db2.gz GHDXWFDLOXVRMV-WDEREUQCSA-N 1 0 378.782 2.739 20 0 GFADRO [NH3+]CCc1ccc(CNC(=O)NCCOc2ncc(Cl)cc2Cl)cc1 ZINC000841860029 661316891 /nfs/dbraw/zinc/31/68/91/661316891.db2.gz LJWBUWYGCSHHPG-UHFFFAOYSA-N 1 0 383.279 2.768 20 0 GFADRO O=C(N[C@@H]1COc2cc(F)c(Br)cc21)N1CCC2(C1)CC[NH2+]CC2 ZINC000841897725 661317822 /nfs/dbraw/zinc/31/78/22/661317822.db2.gz WFTDSOBFRDLTLO-CQSZACIVSA-N 1 0 398.276 2.807 20 0 GFADRO [NH3+]CCc1ccc(CNC(=O)NCCNc2cccc(Br)c2)cc1 ZINC000841930156 661317983 /nfs/dbraw/zinc/31/79/83/661317983.db2.gz VZARIMLCNYZFHG-UHFFFAOYSA-N 1 0 391.313 2.862 20 0 GFADRO CN(C[C@H](O)c1ccccc1Br)C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000841989509 661318970 /nfs/dbraw/zinc/31/89/70/661318970.db2.gz YSLPVEXVGWHPFC-CVEARBPZSA-N 1 0 384.318 2.641 20 0 GFADRO O=C(NCC[C@H](O)c1ccc(Cl)c(Cl)c1)N[C@H]1C[NH2+]CCC1(F)F ZINC000842003051 661319485 /nfs/dbraw/zinc/31/94/85/661319485.db2.gz MHYJDCIPXWMFHO-STQMWFEESA-N 1 0 382.238 2.713 20 0 GFADRO [NH3+]CCC[C@@H](NS(=O)(=O)c1c(Cl)nc2sccn21)c1ccccc1 ZINC000842480885 661341240 /nfs/dbraw/zinc/34/12/40/661341240.db2.gz BQIKLLOFFKWKTF-GFCCVEGCSA-N 1 0 384.914 2.808 20 0 GFADRO O=C1CCc2cc(Cl)c(S(=O)(=O)N3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)cc21 ZINC000842482488 661341332 /nfs/dbraw/zinc/34/13/32/661341332.db2.gz TWCUJAZBJWOWDE-CZUORRHYSA-N 1 0 382.913 2.622 20 0 GFADRO O=C1CCc2cc(Cl)c(S(=O)(=O)N3CCCC[C@H]3[C@H]3CC[NH2+]C3)cc21 ZINC000842482486 661341392 /nfs/dbraw/zinc/34/13/92/661341392.db2.gz TWCUJAZBJWOWDE-BBRMVZONSA-N 1 0 382.913 2.622 20 0 GFADRO C[NH2+]C[C@@H](C)c1noc([C@H](C)N2C(=O)c3ccc(Br)cc3C2=O)n1 ZINC000842580686 661344319 /nfs/dbraw/zinc/34/43/19/661344319.db2.gz PTCAFWWFKJFIHP-BDAKNGLRSA-N 1 0 393.241 2.512 20 0 GFADRO C[NH2+]C[C@@H](C)c1noc([C@H]2CC(=O)N(c3ccc(Br)c(C)c3)C2)n1 ZINC000842581697 661344408 /nfs/dbraw/zinc/34/44/08/661344408.db2.gz YUXRDANTBUGMLF-NEPJUHHUSA-N 1 0 393.285 2.984 20 0 GFADRO O=C1C[C@H](c2nc([C@@H]3CCC[NH2+]C3)no2)CN1c1cccc(Br)c1 ZINC000842666114 661348142 /nfs/dbraw/zinc/34/81/42/661348142.db2.gz WDLUOJYQUMNZOG-NEPJUHHUSA-N 1 0 391.269 2.820 20 0 GFADRO COc1ccc2nc(Cl)ccc2c1S(=O)(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000842699897 661349810 /nfs/dbraw/zinc/34/98/10/661349810.db2.gz RYPGRFNXPWCLFZ-VXGBXAGGSA-N 1 0 383.901 2.563 20 0 GFADRO [NH3+]CCc1ccc(CNS(=O)(=O)c2ccc(F)cc2C(F)(F)F)cc1 ZINC000842701377 661349870 /nfs/dbraw/zinc/34/98/70/661349870.db2.gz DGGPACBYVKBCCS-UHFFFAOYSA-N 1 0 376.375 2.824 20 0 GFADRO COc1ccc2nc(Cl)ccc2c1S(=O)(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000842722517 661351281 /nfs/dbraw/zinc/35/12/81/661351281.db2.gz QPVLERUSVFAWAU-VXGBXAGGSA-N 1 0 383.901 2.645 20 0 GFADRO COC(=O)c1cc(S(=O)(=O)N2CCC[C@@H]([C@H](C)[NH3+])C2)c(Cl)cc1Cl ZINC000842726894 661351445 /nfs/dbraw/zinc/35/14/45/661351445.db2.gz QTXWNQRVHRPLJP-VHSXEESVSA-N 1 0 395.308 2.528 20 0 GFADRO COc1cc(C)c(Br)cc1S(=O)(=O)N(C)C1CCC([NH3+])CC1 ZINC000842736409 661351702 /nfs/dbraw/zinc/35/17/02/661351702.db2.gz BIQNARGRAPWIPR-UHFFFAOYSA-N 1 0 391.331 2.657 20 0 GFADRO C[C@H]([NH2+]Cc1cc(Br)nn1C)c1ccc(N2CCNC2=O)cc1 ZINC000842744598 661352069 /nfs/dbraw/zinc/35/20/69/661352069.db2.gz UNTKMJFUJWTBSE-NSHDSACASA-N 1 0 378.274 2.563 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H]2CN(S(=O)(=O)/C=C/c3ccccc3Br)C[C@H]21 ZINC000842794056 661354454 /nfs/dbraw/zinc/35/44/54/661354454.db2.gz PPBXHDNFVXWDSL-MXGUUFQVSA-N 1 0 385.327 2.809 20 0 GFADRO CC(C)[N@@H+]1CCC[C@H](COC(=O)c2cccc(S(=O)(=O)C(F)F)c2)C1 ZINC000842828242 661356528 /nfs/dbraw/zinc/35/65/28/661356528.db2.gz FVAGXVNTCTUKAG-ZDUSSCGKSA-N 1 0 375.437 2.960 20 0 GFADRO O=S(=O)(/C=C\c1ccc(Br)cc1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000842850135 661357048 /nfs/dbraw/zinc/35/70/48/661357048.db2.gz KYOIIFBWTOGJJJ-BCTQVIJGSA-N 1 0 385.327 2.825 20 0 GFADRO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N1CCCC[C@H]1CC[NH3+] ZINC000842860994 661357498 /nfs/dbraw/zinc/35/74/98/661357498.db2.gz YMBRFYOFMWQFSC-ZFWWWQNUSA-N 1 0 390.933 2.646 20 0 GFADRO CC(C)(C)OC(=O)NC[C@@](C)(O)C[NH2+]C[C@H](O)c1c(Cl)cccc1Cl ZINC000843082629 661367035 /nfs/dbraw/zinc/36/70/35/661367035.db2.gz DAYWYZZKAPNPGH-GUYCJALGSA-N 1 0 393.311 2.892 20 0 GFADRO Cc1ccccc1[C@H](O)C[NH2+]C[C@@H](O)COc1ccccc1Br ZINC000843094418 661367665 /nfs/dbraw/zinc/36/76/65/661367665.db2.gz KVUFOWZGIMXLAC-RHSMWYFYSA-N 1 0 380.282 2.820 20 0 GFADRO OC[C@H](C[C@H](O)c1ccccc1)[NH2+]C[C@@H](O)c1ccc(F)c(Br)c1 ZINC000843106689 661368392 /nfs/dbraw/zinc/36/83/92/661368392.db2.gz KVJNXYQTDKQFSE-JCGIZDLHSA-N 1 0 398.272 2.696 20 0 GFADRO OC[C@@H](C[NH2+]C[C@H](O)c1ccc(Br)cc1)Cc1ccncc1Cl ZINC000843110770 661368487 /nfs/dbraw/zinc/36/84/87/661368487.db2.gz HMZMMFVVDNVICF-PXAZEXFGSA-N 1 0 399.716 2.972 20 0 GFADRO O[C@H](C[NH2+]C[C@H]1CCC2(CCOCC2)[C@@H]1O)c1ccccc1Br ZINC000843111974 661368697 /nfs/dbraw/zinc/36/86/97/661368697.db2.gz BNOKJZGYMOAPCT-KBRIMQKVSA-N 1 0 384.314 2.640 20 0 GFADRO O=C(CC[NH2+][C@H]1COc2ccccc2[C@@H]1O)Nc1cccc(Br)c1 ZINC000843117709 661369773 /nfs/dbraw/zinc/36/97/73/661369773.db2.gz SDQPDZUEFNATQH-YJBOKZPZSA-N 1 0 391.265 2.862 20 0 GFADRO Cn1ccnc1[C@@H]([NH2+]C[C@H](O)c1ccc(Br)cc1)C(C)(C)CO ZINC000843119807 661370083 /nfs/dbraw/zinc/37/00/83/661370083.db2.gz WYQYWPSDKHBOKA-LSDHHAIUSA-N 1 0 382.302 2.565 20 0 GFADRO Cc1cc(Br)ccc1C(=O)N1CCC[C@@H](c2nc(CC[NH3+])no2)C1 ZINC000843131985 661370460 /nfs/dbraw/zinc/37/04/60/661370460.db2.gz XJUBMNGSQSXVMA-GFCCVEGCSA-N 1 0 393.285 2.662 20 0 GFADRO CC(C)[C@@H]([NH3+])c1noc(-c2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)n1 ZINC000843153991 661371028 /nfs/dbraw/zinc/37/10/28/661371028.db2.gz WOTMTMCUCJHUQX-CQSZACIVSA-N 1 0 384.889 2.830 20 0 GFADRO CC(C)[C@H]([NH3+])c1noc(CCNC(=O)Nc2ccc(Br)cc2)n1 ZINC000843152221 661371236 /nfs/dbraw/zinc/37/12/36/661371236.db2.gz DGPFLPVZNVWMHW-ZDUSSCGKSA-N 1 0 382.262 2.852 20 0 GFADRO [NH3+][C@@H](Cc1nc(Cc2cc(Br)c3c(c2)OCCCO3)no1)C1CC1 ZINC000843203058 661372233 /nfs/dbraw/zinc/37/22/33/661372233.db2.gz OGMDSHXIKWQTMS-ZDUSSCGKSA-N 1 0 394.269 2.864 20 0 GFADRO C[NH2+]C[C@@H](C)c1nc(Cc2cc(Br)c3c(c2)OCCCO3)no1 ZINC000843202979 661372293 /nfs/dbraw/zinc/37/22/93/661372293.db2.gz MQBCEZBJKUSLRL-SNVBAGLBSA-N 1 0 382.258 2.907 20 0 GFADRO CC(C)[NH2+]CCc1nc(Cc2cccc(F)c2I)no1 ZINC000843210577 661372840 /nfs/dbraw/zinc/37/28/40/661372840.db2.gz XPTXGSQRVIIXKX-UHFFFAOYSA-N 1 0 389.212 2.945 20 0 GFADRO Fc1cc(Br)ccc1-c1noc(-c2cn(C3CC[NH2+]CC3)nn2)n1 ZINC000843217469 661373438 /nfs/dbraw/zinc/37/34/38/661373438.db2.gz RATFLNNJVMWLOS-UHFFFAOYSA-N 1 0 393.220 2.821 20 0 GFADRO [NH3+]C1(Cc2nc(COc3ccc(I)cc3)no2)CCC1 ZINC000843227225 661373887 /nfs/dbraw/zinc/37/38/87/661373887.db2.gz UIYNFRQRLPRZJV-UHFFFAOYSA-N 1 0 385.205 2.677 20 0 GFADRO Ic1ccc(OCc2noc(CC[C@H]3CC[NH2+]C3)n2)cc1 ZINC000843227268 661373934 /nfs/dbraw/zinc/37/39/34/661373934.db2.gz VTGBIKPEEBTQLJ-NSHDSACASA-N 1 0 399.232 2.795 20 0 GFADRO CC(C)[NH2+]CCc1nc(-c2ccc3ncc(I)n3c2)no1 ZINC000843225288 661373969 /nfs/dbraw/zinc/37/39/69/661373969.db2.gz YEDFJWHTACQGLM-UHFFFAOYSA-N 1 0 397.220 2.529 20 0 GFADRO Ic1ccc(OCc2noc(C3CC[NH2+]CC3)n2)cc1 ZINC000843226816 661373980 /nfs/dbraw/zinc/37/39/80/661373980.db2.gz KKWHUGGGLDJKSI-UHFFFAOYSA-N 1 0 385.205 2.720 20 0 GFADRO O=C([C@@H]1C[NH2+]CCC1(F)F)N1CCO[C@H](c2ccccc2Br)C1 ZINC000843407224 661380113 /nfs/dbraw/zinc/38/01/13/661380113.db2.gz DTXKHJIELKSWAJ-JSGCOSHPSA-N 1 0 389.240 2.594 20 0 GFADRO C[C@H](C[C@H](C)[NH2+]Cc1cc(Br)nn1C)NC(=O)OC(C)(C)C ZINC000843417397 661380973 /nfs/dbraw/zinc/38/09/73/661380973.db2.gz SVFAPNULBBAOPA-WDEREUQCSA-N 1 0 375.311 2.964 20 0 GFADRO O=C(CO[C@H]1CCC[NH2+]C1)NCCOc1c(Cl)cc(Cl)cc1Cl ZINC000843446613 661381724 /nfs/dbraw/zinc/38/17/24/661381724.db2.gz SXSCNDJPQCLKJO-NSHDSACASA-N 1 0 381.687 2.910 20 0 GFADRO O=C(c1cc(=O)c2cc(Br)ccc2[nH]1)N1CCC2(C1)CC[NH2+]CC2 ZINC000843454348 661381901 /nfs/dbraw/zinc/38/19/01/661381901.db2.gz MPUBIKLURYUKQC-UHFFFAOYSA-N 1 0 390.281 2.506 20 0 GFADRO O=C(Nc1cnn(C2CC[NH2+]CC2)c1)c1sc(N2CCCC2)nc1Cl ZINC000843455764 661382093 /nfs/dbraw/zinc/38/20/93/661382093.db2.gz FFPZHRKWQPTCKL-UHFFFAOYSA-N 1 0 380.905 2.770 20 0 GFADRO C[C@H](Oc1ccccc1Br)C(=O)Nc1cnn(C2CC[NH2+]CC2)c1 ZINC000843456506 661382173 /nfs/dbraw/zinc/38/21/73/661382173.db2.gz CTDSGJZSQAVTEY-LBPRGKRZSA-N 1 0 393.285 2.976 20 0 GFADRO O=C(Nc1cnn(C2CC[NH2+]CC2)c1)[C@H]1COc2ccc(Br)cc21 ZINC000843459108 661382324 /nfs/dbraw/zinc/38/23/24/661382324.db2.gz MHHAPRQXCWFNCA-HNNXBMFYSA-N 1 0 391.269 2.685 20 0 GFADRO Cc1ccc(/C=C/C(=O)N2C[C@H](C[NH3+])C3(C2)CCOCC3)c(Br)c1 ZINC000843486934 661383079 /nfs/dbraw/zinc/38/30/79/661383079.db2.gz XXINGHJMLLCEDY-APHBUQMISA-N 1 0 393.325 2.985 20 0 GFADRO C[C@@H]([NH3+])[C@@H](C)NC(=O)c1ccccc1N(C)C(=O)c1ccc(Br)o1 ZINC000843487459 661383166 /nfs/dbraw/zinc/38/31/66/661383166.db2.gz PZYJIVWOXMACSX-GHMZBOCLSA-N 1 0 394.269 2.784 20 0 GFADRO O=C(CO[C@@H]1CCC[NH2+]C1)N[C@H]1C[C@H](c2ccc(F)c(Br)c2)C1 ZINC000843499737 661383610 /nfs/dbraw/zinc/38/36/10/661383610.db2.gz MOXHXQYDTBALMB-MGPQQGTHSA-N 1 0 385.277 2.719 20 0 GFADRO COCC[C@H](NC(=O)CO[C@@H]1CCC[NH2+]C1)c1ccc(Cl)c(Cl)c1 ZINC000843500185 661383612 /nfs/dbraw/zinc/38/36/12/661383612.db2.gz QXBOMCHDNLDWCP-CJNGLKHVSA-N 1 0 375.296 2.956 20 0 GFADRO Cn1nc2cc(Br)ccc2c1C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000843560572 661385329 /nfs/dbraw/zinc/38/53/29/661385329.db2.gz MXDTZRRKJQVJPP-OLZOCXBDSA-N 1 0 379.302 2.938 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)Oc2cc(C(N)=O)ccc2Br)C1 ZINC000843730847 661390813 /nfs/dbraw/zinc/39/08/13/661390813.db2.gz IVCOHECTRTZWIH-MRXNPFEDSA-N 1 0 387.249 2.666 20 0 GFADRO COC(=O)C[C@]1([NH2+]Cc2cc(Br)cc(F)c2F)CCCOC1 ZINC000844317835 661414158 /nfs/dbraw/zinc/41/41/58/661414158.db2.gz ODSQBKXPPAZKNJ-OAHLLOKOSA-N 1 0 378.213 2.929 20 0 GFADRO C[C@@H]1CCC[N@H+](CCCCS(C)(=O)=O)[C@H]1CCNC(=O)OC(C)(C)C ZINC000844402549 661419154 /nfs/dbraw/zinc/41/91/54/661419154.db2.gz QUCFOIMEVKHROV-CVEARBPZSA-N 1 0 376.563 2.827 20 0 GFADRO COCCOCCN1CCN(Cc2ccc(Cl)nc2C(F)(F)F)CC1 ZINC000844467816 661421860 /nfs/dbraw/zinc/42/18/60/661421860.db2.gz PLKMFOLZTBFJCQ-UHFFFAOYSA-N 1 0 381.826 2.534 20 0 GFADRO COC(=O)[C@@H]1C[N@H+](C[C@H](O)c2ccc(F)c(Br)c2)C[C@H]1C1CC1 ZINC000844478604 661422774 /nfs/dbraw/zinc/42/27/74/661422774.db2.gz REXRPSUUUNGGBE-ZENOOKHLSA-N 1 0 386.261 2.753 20 0 GFADRO CSCCCNC(=S)N1CCO[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000844581300 661429123 /nfs/dbraw/zinc/42/91/23/661429123.db2.gz VYIRWUIUIDOQDN-ZWKOTPCHSA-N 1 0 379.595 2.589 20 0 GFADRO O=C1C=C(c2ccc(Br)cc2)CN1C[N@@H+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000844698530 661435544 /nfs/dbraw/zinc/43/55/44/661435544.db2.gz NIMWWJVSSFROAV-JKSUJKDBSA-N 1 0 391.309 2.991 20 0 GFADRO Cn1nc(C(F)(F)F)c(CN2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)c1Cl ZINC000844903153 661448980 /nfs/dbraw/zinc/44/89/80/661448980.db2.gz TYEWLDGIBKRNEJ-GMXVVIOVSA-N 1 0 380.842 2.811 20 0 GFADRO O=C(NCCC[C@H]1CC1(Cl)Cl)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000844998818 661452812 /nfs/dbraw/zinc/45/28/12/661452812.db2.gz JDEHDLUNDGHDID-KBPBESRZSA-N 1 0 378.344 2.761 20 0 GFADRO O=C(NCCC[C@@H]1CC1(Cl)Cl)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000845673068 661488219 /nfs/dbraw/zinc/48/82/19/661488219.db2.gz AFTZODHAEMPWSP-HUUCEWRRSA-N 1 0 378.344 2.714 20 0 GFADRO CN1CC[NH+](CC2CCN(C(=O)NCCC[C@H]3CC3(Cl)Cl)CC2)CC1 ZINC000845673678 661488714 /nfs/dbraw/zinc/48/87/14/661488714.db2.gz IVFVIYNITCLNSZ-INIZCTEOSA-N 1 0 391.387 2.629 20 0 GFADRO CN(C(=O)NCCC[C@@H]1CC1(Cl)Cl)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000845675754 661489365 /nfs/dbraw/zinc/48/93/65/661489365.db2.gz KFWIYISSFIBVDY-ZBFHGGJFSA-N 1 0 391.387 2.770 20 0 GFADRO CN(C)c1nc(Cl)c(C(=O)N(C)CCC[N@H+](C)Cc2ccncc2)s1 ZINC000846177554 661535130 /nfs/dbraw/zinc/53/51/30/661535130.db2.gz PWEMSFQNKLRSFJ-UHFFFAOYSA-N 1 0 381.933 2.852 20 0 GFADRO COc1ccc2nc(Cl)ccc2c1S(=O)(=O)N1CCC(CC[NH3+])CC1 ZINC000846235178 661539930 /nfs/dbraw/zinc/53/99/30/661539930.db2.gz UPVGUTUVXXYHMH-UHFFFAOYSA-N 1 0 383.901 2.646 20 0 GFADRO C[NH+](C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]1(C)CC1(Cl)Cl ZINC000846242500 661540180 /nfs/dbraw/zinc/54/01/80/661540180.db2.gz SMMIKPRVJQPFRZ-IAQYHMDHSA-N 1 0 382.332 2.532 20 0 GFADRO O=C(NCCC1CC[NH2+]CC1)Nc1cc2c(cc1Br)OCCO2 ZINC000846299454 661543725 /nfs/dbraw/zinc/54/37/25/661543725.db2.gz KDEYMVJTZNQXPG-UHFFFAOYSA-N 1 0 384.274 2.732 20 0 GFADRO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCN(C(=O)Nc3ccc(Br)nc3)C2)C1 ZINC000846305582 661544243 /nfs/dbraw/zinc/54/42/43/661544243.db2.gz BWRXGIUYEFFYFZ-YRGRVCCFSA-N 1 0 383.290 2.594 20 0 GFADRO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCN(C(=O)Nc3cccnc3Br)C2)C1 ZINC000846306068 661544295 /nfs/dbraw/zinc/54/42/95/661544295.db2.gz FJIBLTKGVQURMY-OUCADQQQSA-N 1 0 383.290 2.594 20 0 GFADRO CSc1nc2ccc(NC(=O)C(=O)N3CCC(CC[NH3+])CC3)cc2s1 ZINC000846324038 661545280 /nfs/dbraw/zinc/54/52/80/661545280.db2.gz MVEUVAZTLFSLMH-UHFFFAOYSA-N 1 0 378.523 2.544 20 0 GFADRO O=C([C@@H]1CC[C@@H](C2CC2)[NH2+]1)N1CCO[C@@H](c2ccccc2Br)C1 ZINC000846669926 661561420 /nfs/dbraw/zinc/56/14/20/661561420.db2.gz JZONYFDBOCINFF-YESZJQIVSA-N 1 0 379.298 2.880 20 0 GFADRO C[C@H](CNC(=O)c1c(Cl)nccc1C(F)(F)F)N1C[C@@H](C)O[C@@H](C)C1 ZINC000847178341 661579596 /nfs/dbraw/zinc/57/95/96/661579596.db2.gz OTYADVPTBAQEFN-MXWKQRLJSA-N 1 0 379.810 2.981 20 0 GFADRO C[NH+](C)CCNC(=O)c1ccc(NC(=O)c2nc(Cl)sc2Cl)cc1 ZINC000847335610 661587861 /nfs/dbraw/zinc/58/78/61/661587861.db2.gz HARQDXWULXWNQU-UHFFFAOYSA-N 1 0 387.292 2.994 20 0 GFADRO C[NH+]1CCC(n2ccc(NC(=O)c3nc(F)ccc3Br)n2)CC1 ZINC000847984026 661619463 /nfs/dbraw/zinc/61/94/63/661619463.db2.gz HUJNVSMITAJVOQ-UHFFFAOYSA-N 1 0 382.237 2.699 20 0 GFADRO CC(C)(Sc1ccc(Br)cc1)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000848305925 661640221 /nfs/dbraw/zinc/64/02/21/661640221.db2.gz KKPZLEATBCOOQI-UONOGXRCSA-N 1 0 399.354 2.597 20 0 GFADRO CO[C@H](C(=O)NCc1ccc(CC[NH3+])cc1)c1ccccc1Br ZINC000848395160 661645845 /nfs/dbraw/zinc/64/58/45/661645845.db2.gz ZQRBCDPAEDXFIM-KRWDZBQOSA-N 1 0 377.282 2.954 20 0 GFADRO O=S(=O)(N[C@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccc2nc(Cl)cnc2c1 ZINC000848508113 661658467 /nfs/dbraw/zinc/65/84/67/661658467.db2.gz HTQALEBAFILOJT-GOEBONIOSA-N 1 0 380.901 2.578 20 0 GFADRO Cc1nn(-c2cccc(Br)c2)cc1C[NH2+]CCCN1CCOC1=O ZINC000848533340 661661915 /nfs/dbraw/zinc/66/19/15/661661915.db2.gz GUJMKOGWXAWILS-UHFFFAOYSA-N 1 0 393.285 2.875 20 0 GFADRO Cn1c(Cl)ncc1C[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000848542597 661663229 /nfs/dbraw/zinc/66/32/29/661663229.db2.gz LYCBUYUQPNKLGG-UHFFFAOYSA-N 1 0 399.720 2.962 20 0 GFADRO Cc1c(Br)cccc1CS(=O)(=O)NCc1ccc(CC[NH3+])cc1 ZINC000848599689 661667179 /nfs/dbraw/zinc/66/71/79/661667179.db2.gz DFUQMHWEXZYSNS-UHFFFAOYSA-N 1 0 397.338 2.878 20 0 GFADRO Cc1cccc(NC(=[NH2+])NCCNS(=O)(=O)c2ccc(F)cc2Cl)c1 ZINC000848988516 661689925 /nfs/dbraw/zinc/68/99/25/661689925.db2.gz JSGDOXSNFOCIAM-UHFFFAOYSA-N 1 0 384.864 2.702 20 0 GFADRO CCOCCCNC(=[NH2+])NCc1ccc(I)c(C)c1 ZINC000849075874 661690870 /nfs/dbraw/zinc/69/08/70/661690870.db2.gz OCROUCYQNCHASQ-UHFFFAOYSA-N 1 0 375.254 2.640 20 0 GFADRO C[C@H](NC(=[NH2+])NCCS(=O)(=O)CC1CC1)c1ccc(Cl)cc1Cl ZINC000849096375 661691493 /nfs/dbraw/zinc/69/14/93/661691493.db2.gz XLNABORGRZYNCE-JTQLQIEISA-N 1 0 378.325 2.993 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CNC(=S)Nc1cnc(OC)c(Br)c1C ZINC000849281399 661702310 /nfs/dbraw/zinc/70/23/10/661702310.db2.gz DXBWEGVIYCCSKV-NSHDSACASA-N 1 0 387.347 2.932 20 0 GFADRO COc1ncc(NC(=S)NCC2CC[NH+](C)CC2)c(C)c1Br ZINC000849283198 661702721 /nfs/dbraw/zinc/70/27/21/661702721.db2.gz QGVJPUMLOGWGQR-UHFFFAOYSA-N 1 0 387.347 2.789 20 0 GFADRO CS(=O)(=O)C1(C[NH2+]C[C@@H](O)c2cccc(Br)c2)CCCCC1 ZINC000849330330 661706222 /nfs/dbraw/zinc/70/62/22/661706222.db2.gz OPMWEXQYUNNLBU-OAHLLOKOSA-N 1 0 390.343 2.820 20 0 GFADRO CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2NCc2cc(Br)nn2C)cc1 ZINC000849349790 661708373 /nfs/dbraw/zinc/70/83/73/661708373.db2.gz JEFKXQWBYHIYSC-IRXDYDNUSA-N 1 0 393.329 2.817 20 0 GFADRO C[N@H+](CCN1C(=O)N[C@@H](c2ccccc2Br)C1=O)C1CCCC1 ZINC000849354846 661709021 /nfs/dbraw/zinc/70/90/21/661709021.db2.gz XBHRZVGMZXURDB-HNNXBMFYSA-N 1 0 380.286 2.916 20 0 GFADRO C[C@@H](CC(F)(F)F)CS(=O)(=O)N(C)c1ccc(OCC[NH+](C)C)cc1 ZINC000849375143 661711460 /nfs/dbraw/zinc/71/14/60/661711460.db2.gz OTCZEIDTSHXPNG-ZDUSSCGKSA-N 1 0 382.448 2.982 20 0 GFADRO O=[S@](CC[NH2+]Cc1cnn(Cc2ccccc2Cl)c1)CC(F)(F)F ZINC000850349675 661770955 /nfs/dbraw/zinc/77/09/55/661770955.db2.gz JBGUQEFSZCVUQO-XMMPIXPASA-N 1 0 379.835 2.985 20 0 GFADRO CC(C)[C@@H]([NH2+]CCOCCS(C)(=O)=O)c1cc(F)cc(Br)c1 ZINC000850445906 661776835 /nfs/dbraw/zinc/77/68/35/661776835.db2.gz XPFYRFYXPJIMAH-OAHLLOKOSA-N 1 0 396.322 2.936 20 0 GFADRO O=C1O[C@@H](C[NH2+][C@H]2CCc3ccc(I)cc32)CN1C1CC1 ZINC000850476780 661778103 /nfs/dbraw/zinc/77/81/03/661778103.db2.gz QDGBLBIHFYGUKP-ZFWWWQNUSA-N 1 0 398.244 2.851 20 0 GFADRO Cn1c(Cl)cnc1-c1csc(NC(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)n1 ZINC000850753696 661790392 /nfs/dbraw/zinc/79/03/92/661790392.db2.gz BUFULWGODPUUQB-HBNTYKKESA-N 1 0 380.905 2.788 20 0 GFADRO C[C@]1(C(=O)N[C@H](C[NH3+])C2CCCCC2)CC1(Br)Br ZINC000851633877 661827029 /nfs/dbraw/zinc/82/70/29/661827029.db2.gz WZOLZBXBWDUHIS-ZYHUDNBSSA-N 1 0 382.140 2.906 20 0 GFADRO C[C@@H]1C[C@@H](C)N(C(=O)c2ccc(C(F)(F)Br)nc2)C[C@H]1C[NH3+] ZINC000851642571 661827823 /nfs/dbraw/zinc/82/78/23/661827823.db2.gz YYDHBCRULFFSCP-CKYFFXLPSA-N 1 0 376.245 2.971 20 0 GFADRO O=C(N[C@H]1C[NH2+]CCC1(F)F)N1CCc2sc(Br)cc2C1 ZINC000851666129 661827932 /nfs/dbraw/zinc/82/79/32/661827932.db2.gz FEDYEDIYKMCFSV-JTQLQIEISA-N 1 0 380.258 2.576 20 0 GFADRO COc1ccc(C[N@H+](C)CCn2cnc(Br)n2)cc1OC(F)F ZINC000851726880 661829345 /nfs/dbraw/zinc/82/93/45/661829345.db2.gz WWCCMBWHKMFASN-UHFFFAOYSA-N 1 0 391.216 2.783 20 0 GFADRO C[C@@H](c1ccccc1Br)[N@H+](C)C[C@@](O)(C(N)=O)c1ccccc1 ZINC000851738604 661829996 /nfs/dbraw/zinc/82/99/96/661829996.db2.gz MCPFATXQRYXMGA-UGSOOPFHSA-N 1 0 377.282 2.815 20 0 GFADRO CCOP(=O)(OCC)[C@H](O)C[N@H+](C)Cc1cc(Br)cn1C ZINC000851809703 661833632 /nfs/dbraw/zinc/83/36/32/661833632.db2.gz XQLPVICDOVJTIV-ZDUSSCGKSA-N 1 0 383.223 2.804 20 0 GFADRO NC(=O)[C@@](O)(C[NH2+]C1(c2ccc(Br)cc2)CCC1)c1ccccc1 ZINC000851824853 661835248 /nfs/dbraw/zinc/83/52/48/661835248.db2.gz NVQZEANXNMUVBU-LJQANCHMSA-N 1 0 389.293 2.791 20 0 GFADRO Cc1nc2ccccc2n1C[C@H]1CCC[N@@H+]1CCn1cnc(Br)n1 ZINC000851867997 661841059 /nfs/dbraw/zinc/84/10/59/661841059.db2.gz GKWABXIZMLYCME-CQSZACIVSA-N 1 0 389.301 2.863 20 0 GFADRO COC(=O)CC[N@@H+](Cc1cccc(Br)c1)C[C@H](O)c1ccccn1 ZINC000851979638 661847720 /nfs/dbraw/zinc/84/77/20/661847720.db2.gz ZZBVKOHRGCMAMT-KRWDZBQOSA-N 1 0 393.281 2.943 20 0 GFADRO CC(C)C[NH2+]C1(CO)CCN(C[C@H](O)c2ccccc2Br)CC1 ZINC000852122834 661853645 /nfs/dbraw/zinc/85/36/45/661853645.db2.gz CIKPCDNNLUGOEX-KRWDZBQOSA-N 1 0 385.346 2.555 20 0 GFADRO O=C(NC[C@@H]1CC[N@@H+]1Cc1ccccc1)N[C@@H]1CC[C@@H]2SCCS[C@H]12 ZINC000852231226 661857195 /nfs/dbraw/zinc/85/71/95/661857195.db2.gz KUETWAUHQNQJAL-XWTMOSNGSA-N 1 0 377.579 2.940 20 0 GFADRO COC[C@H]([NH2+]C[C@@H](O)c1ccc(F)c(Br)c1)C1CCOCC1 ZINC000852321858 661860367 /nfs/dbraw/zinc/86/03/67/661860367.db2.gz UMFSTRRFDMEBEL-JKSUJKDBSA-N 1 0 376.266 2.653 20 0 GFADRO COC(=O)NC1CC[NH+](C[C@@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000852770397 661874102 /nfs/dbraw/zinc/87/41/02/661874102.db2.gz MPROHMCBGXWMLF-CYBMUJFWSA-N 1 0 377.268 2.554 20 0 GFADRO CN(C(=O)C1=NO[C@H](C[NH3+])C1)[C@H]1CCSc2ccc(Br)cc21 ZINC000852835434 661875619 /nfs/dbraw/zinc/87/56/19/661875619.db2.gz HTUIXXUONSSQMY-GWCFXTLKSA-N 1 0 384.299 2.548 20 0 GFADRO O=C(c1cnn(-c2ccccc2)c1Br)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000852878495 661876242 /nfs/dbraw/zinc/87/62/42/661876242.db2.gz LLQGVGQFVQFHHP-BETUJISGSA-N 1 0 375.270 2.601 20 0 GFADRO CC[C@@H]1CN(C(=O)c2cnn(-c3ccccc3)c2Br)CC[C@H]1[NH3+] ZINC000852877875 661876267 /nfs/dbraw/zinc/87/62/67/661876267.db2.gz FEXUHFHVPODMNY-IUODEOHRSA-N 1 0 377.286 2.834 20 0 GFADRO C[C@]12CCN(C(=O)[C@@H]3CCC[C@@H]([NH3+])C3)C[C@H]1C2(Br)Br ZINC000852901678 661876759 /nfs/dbraw/zinc/87/67/59/661876759.db2.gz NVFZFSFPBNNSRE-UZWSLXQKSA-N 1 0 394.151 2.858 20 0 GFADRO CC[C@]1(C(=O)N2CC[C@@]3(C)[C@@H](C2)C3(Br)Br)CCC[NH2+]1 ZINC000852901386 661876794 /nfs/dbraw/zinc/87/67/94/661876794.db2.gz HABDVZDNLASPEJ-KGYLQXTDSA-N 1 0 394.151 2.873 20 0 GFADRO C[C@@H]1CC[NH2+][C@H](C(=O)N2CC[C@@]3(C)[C@@H](C2)C3(Br)Br)C1 ZINC000852901963 661877031 /nfs/dbraw/zinc/87/70/31/661877031.db2.gz XPLQNAOGMGOTML-XZUYRWCXSA-N 1 0 394.151 2.729 20 0 GFADRO S=C(NCc1ccc(Br)cc1)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000853030604 661879118 /nfs/dbraw/zinc/87/91/18/661879118.db2.gz YWLHKPLPDHVJCH-INIZCTEOSA-N 1 0 398.370 2.667 20 0 GFADRO Cc1cc(Br)cn2cc(CC[NH2+]C[C@@H](O)c3ccccn3)nc12 ZINC000853104890 661882562 /nfs/dbraw/zinc/88/25/62/661882562.db2.gz LKUHGHRYEFRYTQ-MRXNPFEDSA-N 1 0 375.270 2.666 20 0 GFADRO O[C@@H](C[NH2+]CC1SCCS1)COc1cc(F)cc(Br)c1 ZINC000853120312 661882956 /nfs/dbraw/zinc/88/29/56/661882956.db2.gz VTJAQHGBWDFPBS-NSHDSACASA-N 1 0 382.320 2.724 20 0 GFADRO O=C(CC[NH2+]CCC1SCCS1)Nc1ccc(N2CCCC2=O)cc1 ZINC000853121942 661883004 /nfs/dbraw/zinc/88/30/04/661883004.db2.gz IMOILXGQYTVAQU-UHFFFAOYSA-N 1 0 379.551 2.928 20 0 GFADRO O[C@@H](C[NH2+]C[C@@H](O)c1cc(F)c(F)c(F)c1)COc1ccc(Cl)cc1 ZINC000853132211 661883121 /nfs/dbraw/zinc/88/31/21/661883121.db2.gz PNOSKRQFCNIAQF-BLLLJJGKSA-N 1 0 375.774 2.820 20 0 GFADRO O[C@H]1CC[N@H+](Cc2ccc(CNc3ncnc(F)c3Br)cc2)C1 ZINC000853794505 661901206 /nfs/dbraw/zinc/90/12/06/661901206.db2.gz HZRNAZCORHEZBF-ZDUSSCGKSA-N 1 0 381.249 2.557 20 0 GFADRO C[C@@]1(CNC(=O)NCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)CC1(Cl)Cl ZINC000854111194 661914849 /nfs/dbraw/zinc/91/48/49/661914849.db2.gz GQUBIUNMHIENTB-RDJZCZTQSA-N 1 0 386.323 2.636 20 0 GFADRO Fc1ccc(Br)nc1-c1noc(-c2c[nH]nc2[C@@H]2CC[NH2+]C2)n1 ZINC000854155258 661916771 /nfs/dbraw/zinc/91/67/71/661916771.db2.gz STKUZVYVJGGHCM-SSDOTTSWSA-N 1 0 379.193 2.500 20 0 GFADRO CN(C[C@H](O)c1cccc(Br)c1)C(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C ZINC000854244417 661920853 /nfs/dbraw/zinc/92/08/53/661920853.db2.gz FAKAGJRYFJMWBA-CVEARBPZSA-N 1 0 398.345 2.997 20 0 GFADRO Cn1nc(C(=O)N2CCC3(CCC([NH+](C)C)CC3)CC2)cc1Br ZINC000854675290 661947265 /nfs/dbraw/zinc/94/72/65/661947265.db2.gz BRGXBHUNMQFJQQ-UHFFFAOYSA-N 1 0 383.334 2.909 20 0 GFADRO O=C(NC[C@@H]1CCCC[N@H+]1CCO)C(F)(F)c1ccc(Br)cc1 ZINC000854743868 661952832 /nfs/dbraw/zinc/95/28/32/661952832.db2.gz PYRNXALOMCXOHQ-AWEZNQCLSA-N 1 0 391.256 2.504 20 0 GFADRO C[NH+](C)CCCC(C)(C)NC(=O)c1csc(I)n1 ZINC000854830695 661955945 /nfs/dbraw/zinc/95/59/45/661955945.db2.gz YOLYUJGVILENMV-UHFFFAOYSA-N 1 0 381.283 2.598 20 0 GFADRO O=C([C@@H]1CCCC[N@@H+]1C1CCCC1)N1CCn2ncc(Br)c2C1 ZINC000856012503 662016087 /nfs/dbraw/zinc/01/60/87/662016087.db2.gz HDIUWSBUUDIPHO-HNNXBMFYSA-N 1 0 381.318 2.785 20 0 GFADRO CC(C)[N@@H+]1CC[C@@H](C(=O)NCCC2SCCS2)[C@@H](c2cnn(C)c2)C1 ZINC000856217620 662025616 /nfs/dbraw/zinc/02/56/16/662025616.db2.gz LBEWFNYFZHAMGH-HZPDHXFCSA-N 1 0 382.599 2.546 20 0 GFADRO C[NH+](C)C[C@@H]1COC2(CCCC2)CN1C(=O)c1scnc1Br ZINC000856409982 662032084 /nfs/dbraw/zinc/03/20/84/662032084.db2.gz FUWDVVJXEXBLNN-LLVKDONJSA-N 1 0 388.331 2.621 20 0 GFADRO C[C@H]([NH2+]CCC(=O)N1CCN(C)CC1)c1ccc(C(F)(F)F)nc1Cl ZINC000856778862 662043757 /nfs/dbraw/zinc/04/37/57/662043757.db2.gz QXQSDFFWWMMQOP-NSHDSACASA-N 1 0 378.826 2.569 20 0 GFADRO C[NH+](C)C1CCC(NC(=O)N2CC(O)(c3cccc(Br)c3)C2)CC1 ZINC000856918356 662051037 /nfs/dbraw/zinc/05/10/37/662051037.db2.gz HLIRZCNKBGXJAZ-UHFFFAOYSA-N 1 0 396.329 2.535 20 0 GFADRO CCN(C(=O)CCN1C(=S)N=NC1c1cccs1)[C@@H]1CC[N@H+](CC)C1 ZINC000857311483 662073083 /nfs/dbraw/zinc/07/30/83/662073083.db2.gz VJDKCDOGVMNNNZ-CYBMUJFWSA-N 1 0 379.555 2.628 20 0 GFADRO CCC(=O)N[C@H](C)C(=O)N1C[C@H]([NH+](C)C)CCc2cc(Br)ccc21 ZINC000857881181 662093404 /nfs/dbraw/zinc/09/34/04/662093404.db2.gz RNBYDOHPWWJNBC-IUODEOHRSA-N 1 0 396.329 2.573 20 0 GFADRO Cn1ccc(CC(=O)N2C[C@@H]([NH+](C)C)CCc3cc(Br)ccc32)n1 ZINC000857881688 662093573 /nfs/dbraw/zinc/09/35/73/662093573.db2.gz YJVQXILSXWZBRF-INIZCTEOSA-N 1 0 391.313 2.635 20 0 GFADRO C[NH+](C)[C@H]1CCc2cc(Br)ccc2N(C(=O)c2cnccn2)C1 ZINC000857882381 662093654 /nfs/dbraw/zinc/09/36/54/662093654.db2.gz JGUZNEKFDTUOJP-AWEZNQCLSA-N 1 0 375.270 2.762 20 0 GFADRO C[NH+](C)[C@H]1CCc2cc(Br)ccc2N(C(=O)COC(F)F)C1 ZINC000857881211 662093697 /nfs/dbraw/zinc/09/36/97/662093697.db2.gz SEPPPYPVCDQRJG-LBPRGKRZSA-N 1 0 377.229 2.898 20 0 GFADRO COCO[C@H](C)c1cc(F)c(C[NH2+]CC[S@@](C)=O)cc1Br ZINC000858139865 662100986 /nfs/dbraw/zinc/10/09/86/662100986.db2.gz RVILIZNNBWKQSL-LADRHHBVSA-N 1 0 382.295 2.738 20 0 GFADRO Cn1cc(CNc2cccc(C[NH+]3CCC(CO)CC3)c2)c(Br)n1 ZINC000858149884 662101451 /nfs/dbraw/zinc/10/14/51/662101451.db2.gz YTOHJMGJHOKUOL-UHFFFAOYSA-N 1 0 393.329 2.999 20 0 GFADRO Cn1cc(C[NH2+][C@H]2CCN(C)[C@@H]2c2ccc(F)c(F)c2)c(Br)n1 ZINC000858154565 662102006 /nfs/dbraw/zinc/10/20/06/662102006.db2.gz LOOYQNRFBHQALZ-LSDHHAIUSA-N 1 0 385.256 2.996 20 0 GFADRO CC(C)[NH+]1CCC(NC(=O)c2cc(Br)c3ncc(C=O)n3c2)CC1 ZINC000858166324 662102801 /nfs/dbraw/zinc/10/28/01/662102801.db2.gz IIWBMQVEGNLXFR-UHFFFAOYSA-N 1 0 393.285 2.512 20 0 GFADRO CCON(CC)C(=O)C[NH2+]Cc1cc(Br)c2c(c1)OCCCO2 ZINC000858219368 662104715 /nfs/dbraw/zinc/10/47/15/662104715.db2.gz JJTMFIXMOQZTNZ-UHFFFAOYSA-N 1 0 387.274 2.500 20 0 GFADRO CCCOc1c(Br)cc(C[NH2+][C@@H](C)C(=O)N(C)OC)cc1OC ZINC000858318883 662108070 /nfs/dbraw/zinc/10/80/70/662108070.db2.gz VEILFJYNHMCQOW-NSHDSACASA-N 1 0 389.290 2.744 20 0 GFADRO CN(CCOCC[NH2+][C@@H]1CC[C@H]2SCCS[C@@H]12)C(=O)OC(C)(C)C ZINC000858501001 662113610 /nfs/dbraw/zinc/11/36/10/662113610.db2.gz VKJNRRBSFAOKOW-KFWWJZLASA-N 1 0 376.588 2.839 20 0 GFADRO CC(=O)N(C)c1ccc(C[NH2+][C@@H](C)Cn2cc(Br)ccc2=O)cc1 ZINC000858498227 662113729 /nfs/dbraw/zinc/11/37/29/662113729.db2.gz MFMKYQWBVNXQQE-ZDUSSCGKSA-N 1 0 392.297 2.772 20 0 GFADRO C[C@@H]([NH3+])CN(C)S(=O)(=O)c1cc(Cl)c(Cl)cc1Br ZINC000858640213 662117558 /nfs/dbraw/zinc/11/75/58/662117558.db2.gz NUHHRIPXRPEGNX-ZCFIWIBFSA-N 1 0 376.103 2.724 20 0 GFADRO Cn1nc(Br)c2c1ncnc2NC[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000858681315 662119258 /nfs/dbraw/zinc/11/92/58/662119258.db2.gz GZYBVJXNHBULBB-LBPRGKRZSA-N 1 0 379.306 2.945 20 0 GFADRO Cn1nc(Cl)c(C(=O)NCc2ccc(OCCC[NH+](C)C)cc2)c1Cl ZINC000859185312 662143704 /nfs/dbraw/zinc/14/37/04/662143704.db2.gz LCTWRNJKWVZTOJ-UHFFFAOYSA-N 1 0 385.295 2.987 20 0 GFADRO COC(=O)Nc1ccc(S(=O)(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)cc1Cl ZINC000859217545 662145697 /nfs/dbraw/zinc/14/56/97/662145697.db2.gz NPRWYEXGUOVBME-NSHDSACASA-N 1 0 389.905 2.669 20 0 GFADRO C[C@H]1CN(C(=O)C[N@@H+]2CC[C@H](Sc3ccc(Br)cc3)C2)CCO1 ZINC000859441856 662163205 /nfs/dbraw/zinc/16/32/05/662163205.db2.gz SDTBCXZHBWTIDJ-BBRMVZONSA-N 1 0 399.354 2.863 20 0 GFADRO CSC[C@H](O)C[N@@H+]1CC[C@@H](C(F)(F)F)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000859606458 662169415 /nfs/dbraw/zinc/16/94/15/662169415.db2.gz NPTOOJSIICZFQA-YNEHKIRRSA-N 1 0 386.480 2.735 20 0 GFADRO COCC[N@H+](C)CCCC1CCN(C(=O)[C@H]2C[C@@]2(C)Br)CC1 ZINC000860508392 662203500 /nfs/dbraw/zinc/20/35/00/662203500.db2.gz ICPYTWVYTZIFLV-NVXWUHKLSA-N 1 0 375.351 2.757 20 0 GFADRO CCC1([NH+]2CCOCC2)CCN(C(=O)Nc2cccnc2Br)CC1 ZINC000860798603 662216343 /nfs/dbraw/zinc/21/63/43/662216343.db2.gz NKUJPZULHBUVDU-UHFFFAOYSA-N 1 0 397.317 2.953 20 0 GFADRO CC[C@@H](C(=O)N1CCC[C@@](O)(C[NH+](C)C)C1)c1ccc(Br)cc1 ZINC000861354858 662241971 /nfs/dbraw/zinc/24/19/71/662241971.db2.gz CZZBIQCYAHWKCY-SJLPKXTDSA-N 1 0 383.330 2.858 20 0 GFADRO Cc1cccc(NC(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1Cl ZINC000861515931 662248691 /nfs/dbraw/zinc/24/86/91/662248691.db2.gz SLZSGOFNXUCZOA-WDEREUQCSA-N 1 0 377.794 2.573 20 0 GFADRO O=C(N[C@@H]1CC[NH2+]C12CCC2)N1CCO[C@@H](c2ccccc2Br)C1 ZINC000861662120 662254203 /nfs/dbraw/zinc/25/42/03/662254203.db2.gz NPAXJSMBPRCJLG-HZPDHXFCSA-N 1 0 394.313 2.817 20 0 GFADRO COCO[C@H](C)c1cc(F)c(CN2C[C@H]3C[NH2+]C[C@@H]3C2)cc1Br ZINC000862252086 662277876 /nfs/dbraw/zinc/27/78/76/662277876.db2.gz CPCSMXMWQGKBQQ-MRVWCRGKSA-N 1 0 387.293 2.921 20 0 GFADRO CCOC(=O)[C@@](C)(C[NH2+]Cc1cn(C)nc1Br)c1ccccc1 ZINC000862338144 662281537 /nfs/dbraw/zinc/28/15/37/662281537.db2.gz KQGDAXKHBNCSEO-KRWDZBQOSA-N 1 0 380.286 2.793 20 0 GFADRO Cc1cc(C[N@@H+]2CCC[C@@H]2C[C@]2(C)NC(=O)NC2=O)c(Br)cc1F ZINC000862364870 662282976 /nfs/dbraw/zinc/28/29/76/662282976.db2.gz IRWUZFSGEXSYCV-PXAZEXFGSA-N 1 0 398.276 2.849 20 0 GFADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=S)Nc1ccc(SC(F)F)cc1 ZINC000863212129 662315107 /nfs/dbraw/zinc/31/51/07/662315107.db2.gz QFVKTWDUWAGUKQ-ZDUSSCGKSA-N 1 0 388.509 2.628 20 0 GFADRO C[C@H](c1ccc(Br)cc1)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000863550158 662336247 /nfs/dbraw/zinc/33/62/47/662336247.db2.gz ZQHZDXJCWXOBIB-JLZZUVOBSA-N 1 0 394.313 2.767 20 0 GFADRO COc1ccc(OC)c([C@H](O)C[NH2+]Cc2cc(Br)cnc2OC)c1 ZINC000863573387 662336866 /nfs/dbraw/zinc/33/68/66/662336866.db2.gz OJXATXGCOGHOGF-OAHLLOKOSA-N 1 0 397.269 2.693 20 0 GFADRO Brc1c(CN2CCC(CO[C@H]3CC[NH2+]C3)CC2)nc2ccccn21 ZINC000863652242 662342527 /nfs/dbraw/zinc/34/25/27/662342527.db2.gz SRTUZEJGTDRWER-HNNXBMFYSA-N 1 0 393.329 2.687 20 0 GFADRO O[C@@H](C[N@@H+]1CCC[C@@H]1Cc1ccc(Br)cc1)CC1(O)CCOCC1 ZINC000863968655 662351526 /nfs/dbraw/zinc/35/15/26/662351526.db2.gz LNGMJKGUEISVHM-QZTJIDSGSA-N 1 0 398.341 2.749 20 0 GFADRO C[C@]1(C(=O)N[C@@H]2CC[NH2+]CC(C)(C)C2)CC1(Br)Br ZINC000864087198 662354101 /nfs/dbraw/zinc/35/41/01/662354101.db2.gz NXWWCKSXRMBWRX-BXKDBHETSA-N 1 0 382.140 2.777 20 0 GFADRO CC1(C)[C@@H]2[NH2+]CCC[C@@H]2[C@@H]1NC(=O)c1cc2c(cc1Br)OCO2 ZINC000864088547 662354310 /nfs/dbraw/zinc/35/43/10/662354310.db2.gz DUKFHORDAQKELZ-AMFBXLIHSA-N 1 0 381.270 2.684 20 0 GFADRO CCCN(CC(=O)Nc1ccc(Cl)cc1Cl)C(=O)[C@H](O)c1cnc[nH]1 ZINC000864869888 662389242 /nfs/dbraw/zinc/38/92/42/662389242.db2.gz TVCPSDBICLLXKM-OAHLLOKOSA-N 1 0 385.251 2.627 20 0 GFADRO O=C(NCCCC[NH+]1CCOCC1)[C@H]1[C@@H]2c3cc(Br)ccc3C[C@H]12 ZINC000864887083 662389618 /nfs/dbraw/zinc/38/96/18/662389618.db2.gz FCFISBCDZDGUBK-RCCFBDPRSA-N 1 0 393.325 2.563 20 0 GFADRO C[N@H+](CCNC(=O)c1c(F)ccc(I)c1Cl)C1CC1 ZINC000865002967 662394407 /nfs/dbraw/zinc/39/44/07/662394407.db2.gz DQVULWNUTMLDST-UHFFFAOYSA-N 1 0 396.631 2.908 20 0 GFADRO C[NH+](C)CCn1ccc(NC(=O)c2nc(Br)sc2Cl)n1 ZINC000865059040 662396535 /nfs/dbraw/zinc/39/65/35/662396535.db2.gz BYFRLMCMHWLZDT-UHFFFAOYSA-N 1 0 378.683 2.569 20 0 GFADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1oc2ccccc2c1Br ZINC000865061093 662396752 /nfs/dbraw/zinc/39/67/52/662396752.db2.gz VEMYYJSZQQUMCX-NEPJUHHUSA-N 1 0 379.254 2.788 20 0 GFADRO O=S(=O)(c1oc2ccccc2c1Br)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000865211750 662404437 /nfs/dbraw/zinc/40/44/37/662404437.db2.gz AEKYNSVZTRLNLP-OAHLLOKOSA-N 1 0 385.283 2.569 20 0 GFADRO Cc1cc(CNC(=S)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)no1 ZINC000865236608 662406987 /nfs/dbraw/zinc/40/69/87/662406987.db2.gz SJGINHQBXMFIIQ-UHFFFAOYSA-N 1 0 376.448 2.752 20 0 GFADRO CN1C(=O)N(C[C@@H]2CC[N@@H+](C3CC3)C2)C(=O)[C@@H]1c1ccc(Br)s1 ZINC000865298124 662410525 /nfs/dbraw/zinc/41/05/25/662410525.db2.gz BUKRBUAJJCJXQP-YGRLFVJLSA-N 1 0 398.326 2.930 20 0 GFADRO COC(=O)N1CCC([NH2+]Cc2cc(OC)c(Br)cc2F)CC1 ZINC000865429665 662420991 /nfs/dbraw/zinc/42/09/91/662420991.db2.gz BWVANCUOSZXKKE-UHFFFAOYSA-N 1 0 375.238 2.917 20 0 GFADRO Brc1cccc(CCC[NH2+]Cc2cn(C[C@H]3CCCO3)nn2)c1 ZINC000865455501 662422634 /nfs/dbraw/zinc/42/26/34/662422634.db2.gz ASSWIQLSHLYWDU-QGZVFWFLSA-N 1 0 379.302 2.942 20 0 GFADRO COc1ncc(Br)cc1C[NH2+][C@H]1CCCN(c2cc(C)nn2C)C1 ZINC000865544939 662428124 /nfs/dbraw/zinc/42/81/24/662428124.db2.gz MISUCKSPMKONKT-HNNXBMFYSA-N 1 0 394.317 2.653 20 0 GFADRO CC(C)[C@H]([NH2+]Cc1ccc(Cl)c(S(N)(=O)=O)c1)[C@H](O)c1ccccc1 ZINC000865547094 662428360 /nfs/dbraw/zinc/42/83/60/662428360.db2.gz NYEMPESNSWOOGG-ZWKOTPCHSA-N 1 0 382.913 2.835 20 0 GFADRO CC(C)(C)OC(=O)N1CCO[C@@H](C[NH2+]Cc2cccnc2Br)C1 ZINC000865596120 662431429 /nfs/dbraw/zinc/43/14/29/662431429.db2.gz VBAYEAVLNGJFAR-ZDUSSCGKSA-N 1 0 386.290 2.570 20 0 GFADRO CC(C)(C)OC(=O)N[C@@H](C[NH2+][C@@H]1CCCC(F)(F)[C@H]1O)CC(F)(F)F ZINC000865603436 662431759 /nfs/dbraw/zinc/43/17/59/662431759.db2.gz GUJKDGCPMCXMRE-MXWKQRLJSA-N 1 0 376.366 2.970 20 0 GFADRO O=C(NC1CC[NH+](C[C@H]2CCCO2)CC1)C(=O)c1cc(Cl)cc(Cl)c1 ZINC000865789059 662443780 /nfs/dbraw/zinc/44/37/80/662443780.db2.gz OHOKZICMTUBYCD-MRXNPFEDSA-N 1 0 385.291 2.936 20 0 GFADRO Brc1ccc2c(c1)[C@H]1[C@H]([NH2+]Cc3cn(C[C@H]4CCOC4)nn3)[C@H]1C2 ZINC000865835509 662446426 /nfs/dbraw/zinc/44/64/26/662446426.db2.gz SUUWJKJIENBKDS-JZDMUPLMSA-N 1 0 389.297 2.505 20 0 GFADRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)c2cc(Br)no2)CC1 ZINC000865959345 662453561 /nfs/dbraw/zinc/45/35/61/662453561.db2.gz KLVABBCAJKRCLB-LLVKDONJSA-N 1 0 379.258 2.788 20 0 GFADRO CSc1ccccc1[C@H]([NH2+]C[C@@]1(O)CCS(=O)(=O)C1)c1ccccc1 ZINC000866365543 662469131 /nfs/dbraw/zinc/46/91/31/662469131.db2.gz XRVBXOUVNRFQQN-MOPGFXCFSA-N 1 0 377.531 2.637 20 0 GFADRO CSc1cc(C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)ccc1Br ZINC000866378979 662469563 /nfs/dbraw/zinc/46/95/63/662469563.db2.gz CYGTZZGJMOPRCA-CYBMUJFWSA-N 1 0 399.354 2.965 20 0 GFADRO C[C@@H]([NH2+]CC[C@@H]1CCCS1)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000866479719 662476151 /nfs/dbraw/zinc/47/61/51/662476151.db2.gz YGMVFBKQHGEUFO-WBVHZDCISA-N 1 0 384.567 2.644 20 0 GFADRO COc1cc(Br)ccc1NC1CC[NH+](CCN2CCOCC2)CC1 ZINC000866487960 662476596 /nfs/dbraw/zinc/47/65/96/662476596.db2.gz OSXSUDLARNWQJG-UHFFFAOYSA-N 1 0 398.345 2.666 20 0 GFADRO O=S(=O)(Cc1ccc(F)cc1Cl)NCC1([NH+]2CCCC2)CCOCC1 ZINC000866739648 662493294 /nfs/dbraw/zinc/49/32/94/662493294.db2.gz IAWOQTFXMSLFOZ-UHFFFAOYSA-N 1 0 390.908 2.544 20 0 GFADRO CC[C@@H]1CN(S(=O)(=O)Cc2cc(C)ccc2Br)CC[C@@H]1[NH3+] ZINC000866758664 662495256 /nfs/dbraw/zinc/49/52/56/662495256.db2.gz WQRSUKHVAGGFCZ-DOMZBBRYSA-N 1 0 375.332 2.647 20 0 GFADRO O=S(=O)(c1cc(Cl)cnc1Cl)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000866766347 662496041 /nfs/dbraw/zinc/49/60/41/662496041.db2.gz OZYSHXZGCWIWOO-NEPJUHHUSA-N 1 0 378.325 2.789 20 0 GFADRO O=S(=O)(c1oc2ccccc2c1Br)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000866772263 662496490 /nfs/dbraw/zinc/49/64/90/662496490.db2.gz QIIPSRJUNSPDTP-OAHLLOKOSA-N 1 0 385.283 2.712 20 0 GFADRO COc1cccc(Br)c1CS(=O)(=O)NCc1ccc(C[NH3+])cc1 ZINC000866774427 662496980 /nfs/dbraw/zinc/49/69/80/662496980.db2.gz PXPORANCRVRZRM-UHFFFAOYSA-N 1 0 399.310 2.536 20 0 GFADRO [NH3+][C@H]1C[C@H](CNS(=O)(=O)c2cc(Cl)c(Cl)cc2Br)C1 ZINC000866807610 662500332 /nfs/dbraw/zinc/50/03/32/662500332.db2.gz XZVSKSPGPMHEFI-LJGSYFOKSA-N 1 0 388.114 2.772 20 0 GFADRO C[C@]1(CS(=O)(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CC1(Cl)Cl ZINC000866993541 662515123 /nfs/dbraw/zinc/51/51/23/662515123.db2.gz FHZFGQAZASOZMO-VHDGCEQUSA-N 1 0 381.369 2.849 20 0 GFADRO O=S(=O)(CCC[NH+]1CCCC1)Oc1cc(Cl)cnc1Br ZINC000867058125 662519955 /nfs/dbraw/zinc/51/99/55/662519955.db2.gz MVWBQKJJBUJPAW-UHFFFAOYSA-N 1 0 383.695 2.692 20 0 GFADRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)c1cc(Br)cn2ccnc12 ZINC000867093488 662522297 /nfs/dbraw/zinc/52/22/97/662522297.db2.gz PZQRIQFOBATQHO-LBPRGKRZSA-N 1 0 379.302 2.899 20 0 GFADRO CCC1([NH+]2CCCC2)CCN(S(=O)(=O)c2cnc(Cl)c(OC)c2)CC1 ZINC000867601600 662562048 /nfs/dbraw/zinc/56/20/48/662562048.db2.gz NMQLLUYICCWMFE-UHFFFAOYSA-N 1 0 387.933 2.773 20 0 GFADRO Cc1csc(-c2ccc(S(=O)(=O)N3CC[C@@H]4[C@H](CC[N@H+]4C)C3)cc2)n1 ZINC000867812337 662579194 /nfs/dbraw/zinc/57/91/94/662579194.db2.gz WJHIMHMKKCIMFE-NVXWUHKLSA-N 1 0 377.535 2.833 20 0 GFADRO Cc1csc(-c2ccc(S(=O)(=O)N3CC[C@H]4[C@H](CC[N@H+]4C)C3)cc2)n1 ZINC000867812339 662579284 /nfs/dbraw/zinc/57/92/84/662579284.db2.gz WJHIMHMKKCIMFE-WBVHZDCISA-N 1 0 377.535 2.833 20 0 GFADRO O=C(NC[C@H]1CCC[NH2+]C1)c1c(F)ccc(I)c1Cl ZINC000867964125 662589781 /nfs/dbraw/zinc/58/97/81/662589781.db2.gz JOCGLPGZBZIDRS-QMMMGPOBSA-N 1 0 396.631 2.813 20 0 GFADRO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)N[C@H](C)C1CC[NH2+]CC1 ZINC000868005232 662591090 /nfs/dbraw/zinc/59/10/90/662591090.db2.gz MRFFNQSWHLAEEZ-LLVKDONJSA-N 1 0 393.281 2.982 20 0 GFADRO COCCC1(NC(=O)CCc2ccc(OC)cc2Br)CC[NH2+]CC1 ZINC000868043972 662592384 /nfs/dbraw/zinc/59/23/84/662592384.db2.gz WVUAZKPOGFEKSP-UHFFFAOYSA-N 1 0 399.329 2.665 20 0 GFADRO C[C@@]1([NH3+])CCN(C(=O)[C@H]2CCCN(C(=O)c3ccc(Cl)c(Cl)c3)C2)C1 ZINC000868074632 662593723 /nfs/dbraw/zinc/59/37/23/662593723.db2.gz NUKVVHRPFNHLAI-SCLBCKFNSA-N 1 0 384.307 2.795 20 0 GFADRO C[C@@H]1CN(C(=O)Nc2cc(C(F)(F)F)cc(Br)n2)C[C@H]1C[NH3+] ZINC000868159498 662597013 /nfs/dbraw/zinc/59/70/13/662597013.db2.gz XVUGQUJRUKMIFG-HTQZYQBOSA-N 1 0 381.196 2.921 20 0 GFADRO Cc1ccc(-c2csc(NC(=O)C(=O)N3C4CCC3(C[NH3+])CC4)n2)s1 ZINC000868290679 662600910 /nfs/dbraw/zinc/60/09/10/662600910.db2.gz RGYHNSAWRNOMAN-UHFFFAOYSA-N 1 0 376.507 2.601 20 0 GFADRO CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000868355508 662602776 /nfs/dbraw/zinc/60/27/76/662602776.db2.gz PQFYWJAWAICXJO-SFHVURJKSA-N 1 0 385.961 2.974 20 0 GFADRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)NCc1ncc(Br)s1 ZINC000868365567 662603229 /nfs/dbraw/zinc/60/32/29/662603229.db2.gz OGLJCVVXXXLBIE-QWRGUYRKSA-N 1 0 375.336 2.825 20 0 GFADRO CCN(C(=O)[C@H](NC(C)=O)c1cccc(Br)c1)C1CC[NH+](C)CC1 ZINC000868697598 662615276 /nfs/dbraw/zinc/61/52/76/662615276.db2.gz ODLIKQPAHKCMIZ-QGZVFWFLSA-N 1 0 396.329 2.569 20 0 GFADRO C[NH+](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCCC[C@H]1CC1(Cl)Cl ZINC000869162813 662632370 /nfs/dbraw/zinc/63/23/70/662632370.db2.gz VCUUWAVFVQYKRH-RYUDHWBXSA-N 1 0 382.332 2.532 20 0 GFADRO COCCN(CC1CC[NH+](C)CC1)C(=O)c1cc(Br)ccc1O ZINC000869769681 662660658 /nfs/dbraw/zinc/66/06/58/662660658.db2.gz OMKHAHGJPDNQOJ-UHFFFAOYSA-N 1 0 385.302 2.585 20 0 GFADRO COCCN(CC1CC[NH+](C)CC1)C(=O)c1cc(Br)cs1 ZINC000869766124 662660676 /nfs/dbraw/zinc/66/06/76/662660676.db2.gz XVEQOBPLCSYGGB-UHFFFAOYSA-N 1 0 375.332 2.941 20 0 GFADRO CCC1([NH+](C)C)CCN(C(=O)c2csc(I)n2)CC1 ZINC000870575403 662694986 /nfs/dbraw/zinc/69/49/86/662694986.db2.gz XTFLSEUUDAPWRQ-UHFFFAOYSA-N 1 0 393.294 2.694 20 0 GFADRO O=C(CCC12CC(C1)C[NH2+]2)NC[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000870873703 662704177 /nfs/dbraw/zinc/70/41/77/662704177.db2.gz RQHXEQMZCTYHJS-TZGCNFNXSA-N 1 0 392.341 2.924 20 0 GFADRO [NH3+][C@H]1C[C@H](CNC(=O)Cc2ccc(Br)c(Br)c2)C1 ZINC000870972662 662711814 /nfs/dbraw/zinc/71/18/14/662711814.db2.gz OZYAWUVGYPEKDN-MGCOHNPYSA-N 1 0 376.092 2.608 20 0 GFADRO C[NH+]1CCC(C(=O)Nc2ccc(N3CC[C@@H](CO)C3)c(Br)c2)CC1 ZINC000870890044 662706462 /nfs/dbraw/zinc/70/64/62/662706462.db2.gz FXPTWJCMHYWWQL-CYBMUJFWSA-N 1 0 396.329 2.548 20 0 GFADRO C[C@@H]1CC2(CN1C(=O)c1cc(Br)cn3ccnc13)CC[NH2+]CC2 ZINC000870949104 662711259 /nfs/dbraw/zinc/71/12/59/662711259.db2.gz SMOAHEFMRBUERS-GFCCVEGCSA-N 1 0 377.286 2.701 20 0 GFADRO [NH3+][C@H]1C[C@@H](CNC(=O)CCCCc2ccc(I)cc2)C1 ZINC000870967335 662711622 /nfs/dbraw/zinc/71/16/22/662711622.db2.gz RGOCSYJLAATLGY-OTVXOJSOSA-N 1 0 386.277 2.858 20 0 GFADRO C[C@@]([NH3+])(C(=O)NC[C@@H]1CCC12CCOCC2)c1ccc(Br)cc1 ZINC000870961735 662711683 /nfs/dbraw/zinc/71/16/83/662711683.db2.gz MIUVXCVJKMGSTK-YOEHRIQHSA-N 1 0 381.314 2.946 20 0 GFADRO [NH3+][C@H]1C[C@H](CNC(=O)c2nn(-c3cccc(Br)c3)c3c2CCC3)C1 ZINC000870970662 662711806 /nfs/dbraw/zinc/71/18/06/662711806.db2.gz DGPSASBXAHGMTE-AULYBMBSSA-N 1 0 389.297 2.591 20 0 GFADRO COc1ccc(Br)cc1C(=O)CCC(=O)N[C@@H](C)C1CC[NH2+]CC1 ZINC000870986020 662712110 /nfs/dbraw/zinc/71/21/10/662712110.db2.gz BMLINUADHHXZOV-LBPRGKRZSA-N 1 0 397.313 2.925 20 0 GFADRO C[NH+](C)C1(C)CCC(NC(=O)c2sccc2S(=O)(=O)C(F)F)CC1 ZINC000871358570 662720408 /nfs/dbraw/zinc/72/04/08/662720408.db2.gz XZODPSUCSWEMHO-UHFFFAOYSA-N 1 0 380.482 2.737 20 0 GFADRO CC(=O)N[C@@H](c1nc([C@@H]2CCC[NH2+]C2)no1)c1cccc(Br)c1 ZINC000871789989 662734064 /nfs/dbraw/zinc/73/40/64/662734064.db2.gz WGGWHRHNCHZGML-TZMCWYRMSA-N 1 0 379.258 2.525 20 0 GFADRO [NH3+]C[C@H]1CN(S(=O)(=O)c2ccc(CC(F)(F)F)cc2)C[C@H]1C(F)(F)F ZINC000871814002 662735461 /nfs/dbraw/zinc/73/54/61/662735461.db2.gz NJPRZXIJAMATDB-CMPLNLGQSA-N 1 0 390.349 2.549 20 0 GFADRO [NH3+]C[C@@H]1CCN(S(=O)(=O)c2cc3nc(Cl)ncc3s2)c2ccccc21 ZINC000871819299 662735843 /nfs/dbraw/zinc/73/58/43/662735843.db2.gz MUIAFVHKHHFAOR-JTQLQIEISA-N 1 0 394.909 2.986 20 0 GFADRO COc1ccc(Br)cc1S(=O)(=O)N(C)CCCCCC[NH3+] ZINC000871818930 662735931 /nfs/dbraw/zinc/73/59/31/662735931.db2.gz JDSFRPWDZUZZKA-UHFFFAOYSA-N 1 0 379.320 2.597 20 0 GFADRO NC(=O)[C@H]([NH2+]C[C@@H]1CCC12CCOCC2)c1ccc(Br)cc1F ZINC000871920035 662741794 /nfs/dbraw/zinc/74/17/94/662741794.db2.gz BQTYFVBWHCJOIQ-XHDPSFHLSA-N 1 0 385.277 2.911 20 0 GFADRO CCOC(=O)[C@H](C)C1C[NH+](CCC(=O)Nc2cccc(Br)c2)C1 ZINC000871994043 662750314 /nfs/dbraw/zinc/75/03/14/662750314.db2.gz REOZWJVNTVMJKP-GFCCVEGCSA-N 1 0 383.286 2.909 20 0 GFADRO Cn1ncc(CCC[NH2+][C@@H](c2cccc(Br)c2)[C@@H]2CCOC2)n1 ZINC000872072272 662755264 /nfs/dbraw/zinc/75/52/64/662755264.db2.gz GAVLFPJMHIPSCA-PBHICJAKSA-N 1 0 379.302 2.878 20 0 GFADRO CC(=O)c1ccc(OC[C@H](O)C[NH2+]Cc2ccc(Br)cn2)cc1 ZINC000872233637 662758600 /nfs/dbraw/zinc/75/86/00/662758600.db2.gz DMPRMXNEPGOBOI-MRXNPFEDSA-N 1 0 379.254 2.576 20 0 GFADRO O[C@@H](C[NH2+]C[C@@H]1CC2(CO1)CCOCC2)COc1ccc(Cl)c(Cl)c1 ZINC000872231694 662758633 /nfs/dbraw/zinc/75/86/33/662758633.db2.gz RHGYGPFBAJMJHS-ZFWWWQNUSA-N 1 0 390.307 2.908 20 0 GFADRO [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)NC[C@@H]2CCN(c3ccc(Br)cc3)C2)C1 ZINC000872279480 662759734 /nfs/dbraw/zinc/75/97/34/662759734.db2.gz IHEOSFNJGUPJHA-FHKFTOANSA-N 1 0 378.314 2.519 20 0 GFADRO CC1(C)CC[NH2+]CCN1C(=O)c1ncc(Br)cc1Br ZINC000872299091 662760040 /nfs/dbraw/zinc/76/00/40/662760040.db2.gz VERHACTUMYHOJY-UHFFFAOYSA-N 1 0 391.107 2.821 20 0 GFADRO COc1ccc(S(=O)(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3C)c(Cl)c1Cl ZINC000872662344 662784126 /nfs/dbraw/zinc/78/41/26/662784126.db2.gz DNZQQVXIGWTDAF-WDEREUQCSA-N 1 0 379.309 2.859 20 0 GFADRO Cc1nc(-c2ccc(Br)cc2)nn1CN1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000872724670 662786855 /nfs/dbraw/zinc/78/68/55/662786855.db2.gz XAZBHTRTYZINJD-NVXWUHKLSA-N 1 0 390.329 3.000 20 0 GFADRO COCc1nc2n(n1)C[C@H]([NH2+]Cc1c(C)ccc(Br)c1F)CC2 ZINC000873076346 662798866 /nfs/dbraw/zinc/79/88/66/662798866.db2.gz IEZJYMUIPPQIHW-LLVKDONJSA-N 1 0 383.265 2.739 20 0 GFADRO NC(=O)C[C@H]([NH2+]Cc1cccc(Cl)c1Br)C1CCOCC1 ZINC000873097846 662799560 /nfs/dbraw/zinc/79/95/60/662799560.db2.gz XELAQUVTMKCAMT-ZDUSSCGKSA-N 1 0 375.694 2.863 20 0 GFADRO Fc1cccc(C[NH2+][C@H]2CCO[C@@]3(CCOC3)C2)c1I ZINC000873100291 662799782 /nfs/dbraw/zinc/79/97/82/662799782.db2.gz NURDHOVWRUNFBP-WFASDCNBSA-N 1 0 391.224 2.858 20 0 GFADRO CSc1cc(Cl)ccc1NC(=O)C(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000873106199 662799989 /nfs/dbraw/zinc/79/99/89/662799989.db2.gz GGAQHCCQNJCFNE-SCZZXKLOSA-N 1 0 395.834 2.596 20 0 GFADRO Cn1c2ccccc2c(Br)c1C[NH2+]CC1(S(C)(=O)=O)CCC1 ZINC000873118820 662800540 /nfs/dbraw/zinc/80/05/40/662800540.db2.gz UWGVGBMTJSEUNG-UHFFFAOYSA-N 1 0 385.327 2.998 20 0 GFADRO CC(C)(C[NH2+]Cc1cccc(F)c1I)[C@]1(O)CCOC1 ZINC000873134358 662801099 /nfs/dbraw/zinc/80/10/99/662801099.db2.gz PUZUZSOMGPIHQV-HNNXBMFYSA-N 1 0 393.240 2.698 20 0 GFADRO COC(=O)c1cc(Cl)ccc1NC(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000873313581 662805272 /nfs/dbraw/zinc/80/52/72/662805272.db2.gz NJRAIKFXXAXMNW-LDYMZIIASA-N 1 0 379.766 2.728 20 0 GFADRO COC(=O)c1cc(NC(=O)N[C@@]23CCC[C@@H]2[NH2+]CC3)c(C)cc1Br ZINC000873325500 662805542 /nfs/dbraw/zinc/80/55/42/662805542.db2.gz UKQHXWPVXMOZSY-WMLDXEAASA-N 1 0 396.285 2.950 20 0 GFADRO CCc1ccc(Br)c(NC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000873666268 662811500 /nfs/dbraw/zinc/81/15/00/662811500.db2.gz BHNGWJPEHXFUIB-ZIAGYGMSSA-N 1 0 394.313 2.693 20 0 GFADRO CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2cc(CC)ccc2Br)C1 ZINC000873688146 662811918 /nfs/dbraw/zinc/81/19/18/662811918.db2.gz HBMHWKWOWYVIHN-AWEZNQCLSA-N 1 0 396.329 2.798 20 0 GFADRO CCn1ncc(C(=O)NCCC[N@H+](C)Cc2ccccc2)c1Br ZINC000873843641 662815997 /nfs/dbraw/zinc/81/59/97/662815997.db2.gz FLKVLLLQQZZGPG-UHFFFAOYSA-N 1 0 379.302 2.917 20 0 GFADRO CCn1ncc(C(=O)NC[C@@H](C)[N@@H+]2CCc3ccccc3C2)c1Br ZINC000873976806 662820463 /nfs/dbraw/zinc/82/04/63/662820463.db2.gz SFVXNPCAHCDUNI-CYBMUJFWSA-N 1 0 391.313 2.842 20 0 GFADRO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)[C@@]1(C)CC1(Br)Br ZINC000874823123 662837316 /nfs/dbraw/zinc/83/73/16/662837316.db2.gz FVDYMDSERGBKAE-CKYFFXLPSA-N 1 0 380.124 2.578 20 0 GFADRO C[N@@H+]1CCC[C@H]2[C@H]1CCN2C(=O)c1cc(=O)c2cc(Br)ccc2o1 ZINC000874825172 662837460 /nfs/dbraw/zinc/83/74/60/662837460.db2.gz OKSFUSWUWAOWSQ-KGLIPLIRSA-N 1 0 391.265 2.864 20 0 GFADRO Cc1csc(C(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3C)c1I ZINC000874830762 662837870 /nfs/dbraw/zinc/83/78/70/662837870.db2.gz TZJACXBWYQGCJK-GHMZBOCLSA-N 1 0 390.290 2.970 20 0 GFADRO C[NH+](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc(C(F)(F)F)cs1 ZINC000875162157 662842691 /nfs/dbraw/zinc/84/26/91/662842691.db2.gz MAUZSLCUGFYZJA-QMMMGPOBSA-N 1 0 382.408 2.555 20 0 GFADRO C[NH+](C)CCN(Cc1ccccn1)C(=O)NCc1ncc(Br)s1 ZINC000876285881 662858930 /nfs/dbraw/zinc/85/89/30/662858930.db2.gz LBLDTNUGSRBCBU-UHFFFAOYSA-N 1 0 398.330 2.574 20 0 GFADRO C[C@]1(Br)C[C@@H]1C(=O)Nc1ccc(C(=O)OC2CC[NH2+]CC2)cc1 ZINC000876518678 662862328 /nfs/dbraw/zinc/86/23/28/662862328.db2.gz JHLVLZMLVJGFQG-PBHICJAKSA-N 1 0 381.270 2.707 20 0 GFADRO CC(C)c1ccc([C@H]([NH3+])CNC(=O)Cn2ccc(Br)cc2=O)cc1 ZINC000876524705 662862452 /nfs/dbraw/zinc/86/24/52/662862452.db2.gz WEZVGFOSMIDXNV-MRXNPFEDSA-N 1 0 392.297 2.550 20 0 GFADRO O=C(NC1(c2ccc(Br)cc2)CCOCC1)[C@@H](F)[C@H]1CC[NH2+]C1 ZINC000876611651 662863370 /nfs/dbraw/zinc/86/33/70/662863370.db2.gz NKFOYARHOVAXPQ-WFASDCNBSA-N 1 0 385.277 2.519 20 0 GFADRO COc1ccc(I)c(NC(=O)/C=C\[C@@H]2CCC[NH2+]C2)c1 ZINC000876626502 662863621 /nfs/dbraw/zinc/86/36/21/662863621.db2.gz AVXAKQLPHCFKJS-IBHLPDHGSA-N 1 0 386.233 2.794 20 0 GFADRO C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCO[C@H](c2cccc(Br)c2)C1 ZINC000876627752 662863773 /nfs/dbraw/zinc/86/37/73/662863773.db2.gz JZAZCRLZKZYWFT-RFUYJLRHSA-N 1 0 379.298 2.761 20 0 GFADRO COCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](Cc2nccc(C)c2Br)C1 ZINC000876632953 662863886 /nfs/dbraw/zinc/86/38/86/662863886.db2.gz OUGKDWWOPOIPIW-UONOGXRCSA-N 1 0 384.318 2.516 20 0 GFADRO C[NH+](C)C[C@H](N)C(=O)N[C@@H](c1cccc(F)c1)c1cccc(Br)c1 ZINC000876691815 662864837 /nfs/dbraw/zinc/86/48/37/662864837.db2.gz QSVHSYVDLLKYOO-DLBZAZTESA-N 1 0 394.288 2.683 20 0 GFADRO Cn1ncc(C[NH3+])c1C(=O)N1CCC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000876704850 662864982 /nfs/dbraw/zinc/86/49/82/662864982.db2.gz RZPFMCLDSCNJSZ-ZDUSSCGKSA-N 1 0 383.279 2.869 20 0 GFADRO Cc1ccnc(CN2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)c1Br ZINC000876782933 662866405 /nfs/dbraw/zinc/86/64/05/662866405.db2.gz WRPSBFWIWKNFRJ-RDJZCZTQSA-N 1 0 381.362 2.610 20 0 GFADRO C[NH+](C)CCOc1ccc(NCc2ccc(S(N)(=O)=O)s2)cc1Cl ZINC000876850320 662867293 /nfs/dbraw/zinc/86/72/93/662867293.db2.gz OMBMRYLWECZHRQ-UHFFFAOYSA-N 1 0 389.930 2.601 20 0 GFADRO CCOC(=O)Nc1ccc(Br)cc1NC(=O)[C@@H](F)[C@H]1CC[NH2+]C1 ZINC000876896345 662867793 /nfs/dbraw/zinc/86/77/93/662867793.db2.gz AXJZCKINFHNCMP-ZANVPECISA-N 1 0 388.237 2.904 20 0 GFADRO [NH3+][C@@H]1CCCO[C@H]1C1CCN(C(=O)C(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000876919309 662868106 /nfs/dbraw/zinc/86/81/06/662868106.db2.gz SQMIYKJXILULHL-WBVHZDCISA-N 1 0 385.291 2.921 20 0 GFADRO C[C@@]1(Br)C[C@H]1C(=O)N1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000876926559 662868174 /nfs/dbraw/zinc/86/81/74/662868174.db2.gz ZCIMMSOTOUFKAP-KBXCAEBGSA-N 1 0 395.345 2.756 20 0 GFADRO CC[NH+]1CCN([C@@H](C)CNCc2nc(Cl)ccc2Br)CC1 ZINC000876930928 662868382 /nfs/dbraw/zinc/86/83/82/662868382.db2.gz HHDUCDFVAQNGOR-LBPRGKRZSA-N 1 0 375.742 2.613 20 0 GFADRO O=C(/C=C\[C@H]1CCC[NH2+]C1)NCCc1ccc(I)cc1 ZINC000876974737 662868997 /nfs/dbraw/zinc/86/89/97/662868997.db2.gz RJFUYUCUOXOVFF-BMWLXYDHSA-N 1 0 384.261 2.506 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)c2cc(Cl)c3c(c2)OCCO3)CC[C@H]1C(F)(F)F ZINC000877018396 662869660 /nfs/dbraw/zinc/86/96/60/662869660.db2.gz WAGFEIRSGXNTKD-WDEREUQCSA-N 1 0 378.778 2.711 20 0 GFADRO Cn1cc([C@H](O)C[NH2+][C@H]2CCN(C)[C@H](c3ccc(Br)cc3)C2)cn1 ZINC000877071673 662870736 /nfs/dbraw/zinc/87/07/36/662870736.db2.gz BEXXORUYEQHHIP-OKZBNKHCSA-N 1 0 393.329 2.641 20 0 GFADRO CC(C)[NH+]1CCC(O)(CNCc2nc(Cl)ccc2Br)CC1 ZINC000877083874 662870905 /nfs/dbraw/zinc/87/09/05/662870905.db2.gz BUVKVPGDSWRWRH-UHFFFAOYSA-N 1 0 376.726 2.822 20 0 GFADRO C[C@H](C[NH2+]Cc1cccc(S(N)(=O)=O)c1)Oc1ccccc1Br ZINC000877082792 662870910 /nfs/dbraw/zinc/87/09/10/662870910.db2.gz CNIRLPWSYMWGCG-GFCCVEGCSA-N 1 0 399.310 2.654 20 0 GFADRO O[C@H]1CCC[C@H]1[NH+]1CCC(NCc2nc(Cl)ccc2Br)CC1 ZINC000877089589 662870959 /nfs/dbraw/zinc/87/09/59/662870959.db2.gz OKQRHYSCSPWNGR-CABCVRRESA-N 1 0 388.737 2.965 20 0 GFADRO Cn1c(C[NH2+]C2CCN(S(=O)(=O)C(F)(F)F)CC2)cc2ccccc21 ZINC000877108972 662871203 /nfs/dbraw/zinc/87/12/03/662871203.db2.gz WRORLRAKMFASBK-UHFFFAOYSA-N 1 0 375.416 2.582 20 0 GFADRO Brc1cnc2c(C[NH2+]C[C@H]3COC4(CCCCC4)O3)cnn2c1 ZINC000877136887 662871551 /nfs/dbraw/zinc/87/15/51/662871551.db2.gz OKSAOINFPHZDGZ-AWEZNQCLSA-N 1 0 381.274 2.657 20 0 GFADRO [NH3+]CC12CCC(CC1)N2C(=O)C1(c2ccc(Br)cc2)CCOCC1 ZINC000877189246 662872079 /nfs/dbraw/zinc/87/20/79/662872079.db2.gz MNAPKSAEBQKHAE-UHFFFAOYSA-N 1 0 393.325 2.980 20 0 GFADRO O=C(c1cc(=O)[nH]c2c(Br)cccc12)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000877276666 662872911 /nfs/dbraw/zinc/87/29/11/662872911.db2.gz BGFRGFLOOINFTG-UONOGXRCSA-N 1 0 376.254 2.669 20 0 GFADRO Cc1c(F)c(Br)ccc1C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000877329726 662873787 /nfs/dbraw/zinc/87/37/87/662873787.db2.gz XQGMXCADQPSIOU-GFCCVEGCSA-N 1 0 385.277 2.785 20 0 GFADRO Cc1cc(Br)ccc1CC(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000877358536 662874441 /nfs/dbraw/zinc/87/44/41/662874441.db2.gz PIQMCVYDNJQXQM-DGCLKSJQSA-N 1 0 379.220 2.896 20 0 GFADRO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000877375631 662875058 /nfs/dbraw/zinc/87/50/58/662875058.db2.gz XEOKTQFUFRFOSY-BBATYDOGSA-N 1 0 391.265 2.545 20 0 GFADRO OC1(c2ccccc2)CC[NH+](Cc2cnn3cc(Br)cnc23)CC1 ZINC000877383879 662875169 /nfs/dbraw/zinc/87/51/69/662875169.db2.gz AYAJGTMMWKQZDP-UHFFFAOYSA-N 1 0 387.281 2.975 20 0 GFADRO C[C@@H]1CN(C(=O)c2csc(C3CC[NH2+]CC3)n2)CC[C@@H](C(F)(F)F)O1 ZINC000877382274 662875183 /nfs/dbraw/zinc/87/51/83/662875183.db2.gz IOQGXCHWNQAOMN-MFKMUULPSA-N 1 0 377.432 2.792 20 0 GFADRO O=C(N[C@]12CCC[C@H]1[NH2+]CC2)c1ncc(Br)cc1Br ZINC000877389687 662875326 /nfs/dbraw/zinc/87/53/26/662875326.db2.gz OIVXPDZSSRWUIL-MFKMUULPSA-N 1 0 389.091 2.621 20 0 GFADRO CCn1cccc(C[NH2+]Cc2ccc(C(=O)OC)c(Br)c2)c1=O ZINC000877485055 662876858 /nfs/dbraw/zinc/87/68/58/662876858.db2.gz XBWNNHLJQMRNAI-UHFFFAOYSA-N 1 0 379.254 2.707 20 0 GFADRO COC(=O)c1ccc(C[NH+]2CCC3(CCN(C)C3=O)CC2)cc1Br ZINC000877481691 662876900 /nfs/dbraw/zinc/87/69/00/662876900.db2.gz PQAVMUQFIAPXDF-UHFFFAOYSA-N 1 0 395.297 2.680 20 0 GFADRO COC(=O)c1ccc(C[NH2+]C(C)(C)C(=O)N2CCCC2)cc1Br ZINC000877493577 662877195 /nfs/dbraw/zinc/87/71/95/662877195.db2.gz MAQBLOAEGROKKT-UHFFFAOYSA-N 1 0 383.286 2.726 20 0 GFADRO CCO[P@@](C)(=O)CC[C@H](C)[NH2+][C@H]1CCN(S(=O)(=O)c2ccccc2)C1 ZINC000877534659 662878349 /nfs/dbraw/zinc/87/83/49/662878349.db2.gz MWOGOEWXGRORIS-CCHLGUQTSA-N 1 0 388.470 2.762 20 0 GFADRO CCOP(=O)(CCC[NH2+]C[C@@H]1CS(=O)(=O)c2ccccc21)OCC ZINC000877557469 662878781 /nfs/dbraw/zinc/87/87/81/662878781.db2.gz RXDDMPVZVCLMQU-CQSZACIVSA-N 1 0 375.427 2.803 20 0 GFADRO CCO[P@](C)(=O)CC[C@@H](C)[NH2+]C[C@@H]1CS(=O)(=O)c2ccccc2O1 ZINC000877604930 662879780 /nfs/dbraw/zinc/87/97/80/662879780.db2.gz SEJKGVRWOAAFPE-CSTKLKAISA-N 1 0 375.427 2.534 20 0 GFADRO CC(C)[C@H]([NH2+]Cc1ccc(S(N)(=O)=O)cc1)[C@H](O)c1ccc(Cl)cc1 ZINC000877639713 662880667 /nfs/dbraw/zinc/88/06/67/662880667.db2.gz PGDLNIPFMYDVGB-ZWKOTPCHSA-N 1 0 382.913 2.835 20 0 GFADRO COC(=O)C[C@@](C)([NH2+]Cc1ncc(I)s1)C1CC1 ZINC000877705057 662882274 /nfs/dbraw/zinc/88/22/74/662882274.db2.gz QXFSIMIZCVKZOX-GFCCVEGCSA-N 1 0 380.251 2.569 20 0 GFADRO COC(=O)[C@]12C[C@H]1C[C@H]([NH2+]Cc1cnc3c(C)cc(Br)cn13)C2 ZINC000877724811 662882565 /nfs/dbraw/zinc/88/25/65/662882565.db2.gz WXYCFBITRBBYQW-ZUCKAHLUSA-N 1 0 378.270 2.837 20 0 GFADRO C[N@@H+]1CC[C@H]2CN(Cc3ccc(Br)cc3N3CCOCC3)CC[C@@H]21 ZINC000877740894 662882710 /nfs/dbraw/zinc/88/27/10/662882710.db2.gz KZSSZVWEZAOFCD-WMZOPIPTSA-N 1 0 394.357 2.812 20 0 GFADRO CC1([NH+]2CCCCC2)CCN(Cc2ccc(Cl)c(S(N)(=O)=O)c2)CC1 ZINC000877793823 662884139 /nfs/dbraw/zinc/88/41/39/662884139.db2.gz AYXHIOITABXZNZ-UHFFFAOYSA-N 1 0 385.961 2.828 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[N@@H+]1CC[C@@H](C(C)(C)O)C1 ZINC000877836000 662884978 /nfs/dbraw/zinc/88/49/78/662884978.db2.gz KVKHKOYCHSDMPU-GXTWGEPZSA-N 1 0 399.329 2.555 20 0 GFADRO C[NH+]1CCC(NC(=O)CN(Cc2cccc(Br)c2)C2CC2)CC1 ZINC000877917944 662885908 /nfs/dbraw/zinc/88/59/08/662885908.db2.gz KJITXDURRBAQTM-UHFFFAOYSA-N 1 0 380.330 2.624 20 0 GFADRO O[C@H](C[C@H](O)C[NH+]1CCC(n2cc(Br)cn2)CC1)c1ccccc1 ZINC000878091748 662889694 /nfs/dbraw/zinc/88/96/94/662889694.db2.gz IWEUNHIEUYJPRA-ZWKOTPCHSA-N 1 0 394.313 2.767 20 0 GFADRO O[C@H](C[C@H](O)c1ccccc1)C[NH+]1CCC(n2cc(Br)cn2)CC1 ZINC000878091744 662889741 /nfs/dbraw/zinc/88/97/41/662889741.db2.gz IWEUNHIEUYJPRA-MSOLQXFVSA-N 1 0 394.313 2.767 20 0 GFADRO Cn1ncc(Br)c1CC(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000878121602 662890215 /nfs/dbraw/zinc/89/02/15/662890215.db2.gz MWKABEPERIVPEZ-MRXNPFEDSA-N 1 0 391.313 2.678 20 0 GFADRO C[N@H+](C[C@H](O)CC1(CO)CCCC1)[C@H](CO)c1cccc(Br)c1 ZINC000878328474 662893971 /nfs/dbraw/zinc/89/39/71/662893971.db2.gz JCIRBHXCIWGOBK-IAGOWNOFSA-N 1 0 386.330 2.718 20 0 GFADRO COC[C@H]([NH2+]C[C@H](O)c1cc(Br)no1)c1ccc(F)c(F)c1 ZINC000878368878 662894576 /nfs/dbraw/zinc/89/45/76/662894576.db2.gz GTOPQIHQJCUEJW-RYUDHWBXSA-N 1 0 377.185 2.726 20 0 GFADRO OCC[C@@H]([NH2+]C[C@H](O)CC1(O)CCCCC1)c1ccccc1Br ZINC000878395617 662895257 /nfs/dbraw/zinc/89/52/57/662895257.db2.gz FPXIXYIRVPYMNN-RHSMWYFYSA-N 1 0 386.330 2.908 20 0 GFADRO COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@@H](C)[N@@H+]2C[C@@H](O)c2ccc(Br)cc2)O1 ZINC000878565340 662898880 /nfs/dbraw/zinc/89/88/80/662898880.db2.gz JGIDSQFGQRYSPT-YFTGLANFSA-N 1 0 398.297 2.666 20 0 GFADRO OC[C@H]1C[N@H+](C[C@H](O)c2ccc(Br)cc2)CC[C@@H]1C(F)(F)F ZINC000878604648 662900296 /nfs/dbraw/zinc/90/02/96/662900296.db2.gz DMDYLAMMJSFPTL-XBFCOCLRSA-N 1 0 382.220 2.975 20 0 GFADRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)Cc1c(Br)cnn1C ZINC000878670727 662902009 /nfs/dbraw/zinc/90/20/09/662902009.db2.gz PSAVXVMTDVSXIZ-UHFFFAOYSA-N 1 0 393.329 2.835 20 0 GFADRO O=C1O[C@@H](C[N@H+]2CC[C@H](Oc3cncc(Br)c3)C2)CC12CCC2 ZINC000878875869 662908004 /nfs/dbraw/zinc/90/80/04/662908004.db2.gz OBRWSSYCKWEREQ-DZGCQCFKSA-N 1 0 381.270 2.783 20 0 GFADRO C[NH+](C)C[C@H]1COC2(CCCC2)CN1C(=O)Nc1cccnc1Br ZINC000878974896 662911924 /nfs/dbraw/zinc/91/19/24/662911924.db2.gz QPGHKIRZHLTLOG-ZDUSSCGKSA-N 1 0 397.317 2.951 20 0 GFADRO NC(=O)[C@H](F)C1CC[NH+](CCC(=O)Nc2cc(Cl)ccc2Cl)CC1 ZINC000879045633 662914692 /nfs/dbraw/zinc/91/46/92/662914692.db2.gz XKRCYEMSCCODLP-OAHLLOKOSA-N 1 0 376.259 2.857 20 0 GFADRO C[C@@H]1CN(C(=O)Nc2cccc(Br)n2)CCN1c1cc[nH+]cc1 ZINC000879202476 662920501 /nfs/dbraw/zinc/92/05/01/662920501.db2.gz HCRHNAOSOBIRHP-GFCCVEGCSA-N 1 0 376.258 2.982 20 0 GFADRO C[NH+]1CCC2(CCN([C@H](C(N)=O)c3ccc(Br)cc3)CC2)CC1 ZINC000879249894 662921745 /nfs/dbraw/zinc/92/17/45/662921745.db2.gz FDWMNNLWTJTHEY-INIZCTEOSA-N 1 0 380.330 2.783 20 0 GFADRO Cc1cnc(Br)cc1NC(=O)N(C)CC[NH+]1CC2(C1)CCOCC2 ZINC000879278987 662922317 /nfs/dbraw/zinc/92/23/17/662922317.db2.gz XDTDXGVWHZZFGI-UHFFFAOYSA-N 1 0 397.317 2.729 20 0 GFADRO CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)Nc2c(F)cc(F)cc2Br)C1 ZINC000879315054 662922984 /nfs/dbraw/zinc/92/29/84/662922984.db2.gz DNIIQUGZPBPMII-JTQLQIEISA-N 1 0 392.244 2.694 20 0 GFADRO C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879570686 662929705 /nfs/dbraw/zinc/92/97/05/662929705.db2.gz DOUSKAXFZYEFHS-KYJSFNMBSA-N 1 0 394.357 2.822 20 0 GFADRO CN(Cc1ccccc1Br)C(=O)C[NH+]1CCC(C(C)(C)O)CC1 ZINC000879625678 662930730 /nfs/dbraw/zinc/93/07/30/662930730.db2.gz ZGIHSZXJVKUVCY-UHFFFAOYSA-N 1 0 383.330 2.890 20 0 GFADRO COCCN(CC1CC[NH+](C)CC1)C(=O)Nc1ccnc(Br)c1 ZINC000879666757 662935416 /nfs/dbraw/zinc/93/54/16/662935416.db2.gz HACRVHULGFEZHC-UHFFFAOYSA-N 1 0 385.306 2.666 20 0 GFADRO Cc1nn(C)c(NC(=O)N2CCN(c3cc[nH+]cc3)[C@H](C)C2)c1Br ZINC000879703798 662937329 /nfs/dbraw/zinc/93/73/29/662937329.db2.gz XPTBDWNNMLTUQY-LLVKDONJSA-N 1 0 393.289 2.629 20 0 GFADRO CSC1(CNC(=O)Nc2cccc(N=S(C)(C)=O)c2)CC[NH+](C)CC1 ZINC000879865237 662941092 /nfs/dbraw/zinc/94/10/92/662941092.db2.gz URMNJZYEYVHNFZ-UHFFFAOYSA-N 1 0 384.571 2.995 20 0 GFADRO Cn1cc(NC(=O)N(CC[NH+](C)C)Cc2cccs2)c(Br)n1 ZINC000880049556 662947576 /nfs/dbraw/zinc/94/75/76/662947576.db2.gz UGCLAQPAOSRPSJ-UHFFFAOYSA-N 1 0 386.319 2.840 20 0 GFADRO O=C(CC[N@@H+]1CCNC(=O)CC12CCC2)Nc1ccc(Br)cc1 ZINC000880169365 662953294 /nfs/dbraw/zinc/95/32/94/662953294.db2.gz SHLHXRGXTUALFH-UHFFFAOYSA-N 1 0 380.286 2.522 20 0 GFADRO CC(=O)N1C[C@@H]2C[N@H+](CC(=O)N[C@H](C)c3ccc(Cl)c(Cl)c3)C[C@@H]2C1 ZINC000880309592 662957669 /nfs/dbraw/zinc/95/76/69/662957669.db2.gz QLKSQLGJOUKOBH-DFBGVHRSSA-N 1 0 384.307 2.581 20 0 GFADRO C[NH+](C)Cc1ccnc(NC(=O)NC[C@H](O)c2ccccc2Br)c1 ZINC000880601564 662963887 /nfs/dbraw/zinc/96/38/87/662963887.db2.gz AVUZEPLGEFLDFS-HNNXBMFYSA-N 1 0 393.285 2.761 20 0 GFADRO COc1cc(Br)ccc1NC(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000880630047 662965364 /nfs/dbraw/zinc/96/53/64/662965364.db2.gz VNFXJKHBBDHDIH-UHFFFAOYSA-N 1 0 399.333 2.605 20 0 GFADRO COc1cc(Br)ccc1NC(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000880632550 662966097 /nfs/dbraw/zinc/96/60/97/662966097.db2.gz QZPNFJDOGXJOEB-UHFFFAOYSA-N 1 0 398.301 2.786 20 0 GFADRO O=C(Nc1c2c(ccc1Br)OCC2)N1CC[NH+](CC2CC2)CC1 ZINC000880801439 662971626 /nfs/dbraw/zinc/97/16/26/662971626.db2.gz MGKSDCGYBCVLJJ-UHFFFAOYSA-N 1 0 380.286 2.944 20 0 GFADRO O=C(c1ccc(Br)cc1F)N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000881468510 662995105 /nfs/dbraw/zinc/99/51/05/662995105.db2.gz DICBPSVESJXRKZ-CQSZACIVSA-N 1 0 385.277 2.961 20 0 GFADRO C[C@@H]1CN(C(=O)c2[nH]nc(C3CC3)c2Br)CCN1c1cc[nH+]cc1 ZINC000881635904 662998738 /nfs/dbraw/zinc/99/87/38/662998738.db2.gz NKBBJYYCNXSMRM-LLVKDONJSA-N 1 0 390.285 2.796 20 0 GFADRO C[NH+](C)[C@H]1CCCN(S(=O)(=O)c2cnc(Cl)cc2C(F)(F)F)CC1 ZINC000882128015 663017573 /nfs/dbraw/zinc/01/75/73/663017573.db2.gz MYBDKHMQUMMIIE-JTQLQIEISA-N 1 0 385.839 2.859 20 0 GFADRO C[C@@H](Nc1ccc2nnc(Br)n2n1)[C@H](c1ccccc1)[NH+](C)C ZINC000882284550 663023449 /nfs/dbraw/zinc/02/34/49/663023449.db2.gz WGXNNYZJGWXMIX-IAQYHMDHSA-N 1 0 375.274 2.990 20 0 GFADRO CC[N@@H+]1CC[C@H]1CNC(=O)c1c(C)c2cc(Br)ccc2oc1=O ZINC000882487201 663028842 /nfs/dbraw/zinc/02/88/42/663028842.db2.gz BMZNWWXVNDSYDU-LBPRGKRZSA-N 1 0 379.254 2.688 20 0 GFADRO COC(=O)c1cc(Br)cc(C(=O)N2CCC(C)([NH+]3CCC3)CC2)c1 ZINC000882509618 663029581 /nfs/dbraw/zinc/02/95/81/663029581.db2.gz CNXZUELGMNGDCJ-UHFFFAOYSA-N 1 0 395.297 2.936 20 0 GFADRO CCN(CC)S(=O)(=O)c1ccc(CC[NH2+]Cc2nc(C(C)C)c[nH]2)s1 ZINC000882979173 663045780 /nfs/dbraw/zinc/04/57/80/663045780.db2.gz QVSTZKVJZUPTPL-UHFFFAOYSA-N 1 0 384.571 2.957 20 0 GFADRO Cn1nc2c(c1C[NH2+]CCC1CCN(CC(F)(F)F)CC1)CSCC2 ZINC000883028036 663047386 /nfs/dbraw/zinc/04/73/86/663047386.db2.gz YHSZZUQNAOYWTO-UHFFFAOYSA-N 1 0 376.492 2.963 20 0 GFADRO CC(C)(C)[NH+]1CCC(NC(=O)c2ncc(I)s2)CC1 ZINC000883079781 663048092 /nfs/dbraw/zinc/04/80/92/663048092.db2.gz DNQHFSXTPVVWLX-UHFFFAOYSA-N 1 0 393.294 2.740 20 0 GFADRO COC[C@@H]([NH2+]CC(=O)Nc1ccc(Br)cc1C)[C@H]1CCCOC1 ZINC000883200880 663051243 /nfs/dbraw/zinc/05/12/43/663051243.db2.gz SSXUALBFHIHOLG-XJKSGUPXSA-N 1 0 385.302 2.727 20 0 GFADRO O=S(=O)(CC[NH2+][C@H](c1ccc(F)cc1)C1CCOCC1)CC(F)(F)F ZINC000883234490 663051819 /nfs/dbraw/zinc/05/18/19/663051819.db2.gz GWZNGWGGPWSGPT-OAHLLOKOSA-N 1 0 383.407 2.860 20 0 GFADRO COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]CC[C@H]1CCCS1(=O)=O ZINC000883305600 663053123 /nfs/dbraw/zinc/05/31/23/663053123.db2.gz ARVDFYRUIKAOHH-GXTWGEPZSA-N 1 0 388.917 2.623 20 0 GFADRO COC(=O)N1CCC([NH2+][C@H]2CCc3cc(Br)ccc3NC2=O)CC1 ZINC000883377180 663054198 /nfs/dbraw/zinc/05/41/98/663054198.db2.gz AQRWXXFNDJGWSF-HNNXBMFYSA-N 1 0 396.285 2.523 20 0 GFADRO CCOc1cc(C[NH2+][C@H]2C[C@H](S(C)(=O)=O)C2)cc(Br)c1OC ZINC000883378681 663054345 /nfs/dbraw/zinc/05/43/45/663054345.db2.gz UYFGGRNSZDRWDO-HAQNSBGRSA-N 1 0 392.315 2.522 20 0 GFADRO Cc1cc(Br)c(Cl)cc1S(=O)(=O)N1CC[C@H]([NH3+])C[C@@H]1C ZINC000883467833 663055529 /nfs/dbraw/zinc/05/55/29/663055529.db2.gz AJTADJNUPGWSSE-UWVGGRQHSA-N 1 0 381.723 2.911 20 0 GFADRO CC(C)CCN(CCC(C)C)S(=O)(=O)N1CCc2sc(C[NH3+])nc2C1 ZINC000883481747 663056039 /nfs/dbraw/zinc/05/60/39/663056039.db2.gz ZRKHIHOXPWJHPP-UHFFFAOYSA-N 1 0 388.603 2.599 20 0 GFADRO CC[N@H+](CCNC(=O)N1CC[C@@](OC)(C(F)(F)F)C1)CCC(F)(F)F ZINC000883646671 663058696 /nfs/dbraw/zinc/05/86/96/663058696.db2.gz YEKMCKHFUUMIHH-LBPRGKRZSA-N 1 0 379.345 2.624 20 0 GFADRO CN(Cc1ccc(Br)cc1)C(=O)c1ccnc(N2CC[NH2+]CC2)c1 ZINC000884053179 663064253 /nfs/dbraw/zinc/06/42/53/663064253.db2.gz OGHVTMDYADBMCP-UHFFFAOYSA-N 1 0 389.297 2.526 20 0 GFADRO COCC[C@@H]([NH3+])C(=O)N1CCC(OCc2ccc(Cl)c(Cl)c2)CC1 ZINC000884163042 663066189 /nfs/dbraw/zinc/06/61/89/663066189.db2.gz VGTCXGQJCAQSRJ-MRXNPFEDSA-N 1 0 375.296 2.865 20 0 GFADRO C[NH2+][C@@H](CC(C)C)C(=O)NCc1noc(-c2cccc(Br)c2)n1 ZINC000884335031 663069199 /nfs/dbraw/zinc/06/91/99/663069199.db2.gz INUYDYWCYVXSBC-ZDUSSCGKSA-N 1 0 381.274 2.749 20 0 GFADRO O=C(Nc1ncc(C2CC[NH2+]CC2)s1)c1nn2c(c1Br)CCC2 ZINC000884338138 663069305 /nfs/dbraw/zinc/06/93/05/663069305.db2.gz ZFARXQKZZSJMEU-UHFFFAOYSA-N 1 0 396.314 2.768 20 0 GFADRO C[S@](=O)C1(C(=O)Nc2nc(-c3c(F)cccc3F)cs2)CC[NH2+]CC1 ZINC000884447776 663070934 /nfs/dbraw/zinc/07/09/34/663070934.db2.gz IMLHVBFVMBDYJA-VWLOTQADSA-N 1 0 385.461 2.528 20 0 GFADRO [NH3+][C@H](C(=O)NCc1cccc2c1CCOC2)c1ccc(Br)cc1 ZINC000884463232 663071133 /nfs/dbraw/zinc/07/11/33/663071133.db2.gz ANZDBOMHHSDANI-KRWDZBQOSA-N 1 0 375.266 2.838 20 0 GFADRO O=c1c(Br)nn(C[N@@H+]2CC[C@H]([C@H]3CCCO3)C2)c2ccccc12 ZINC000884481023 663071345 /nfs/dbraw/zinc/07/13/45/663071345.db2.gz FEZQSOYBCWUXTO-SWLSCSKDSA-N 1 0 378.270 2.617 20 0 GFADRO O=S(=O)(/C=C\c1cccc(Br)c1)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000884951049 663079333 /nfs/dbraw/zinc/07/93/33/663079333.db2.gz WXKQTKNSKSKROJ-SELBCVKXSA-N 1 0 385.327 2.966 20 0 GFADRO Cc1cc(Br)sc1S(=O)(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000884959820 663079753 /nfs/dbraw/zinc/07/97/53/663079753.db2.gz ODHXQQFXZLSTBQ-MNOVXSKESA-N 1 0 379.345 2.724 20 0 GFADRO Cc1cc(Br)ccc1CS(=O)(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000884962276 663079943 /nfs/dbraw/zinc/07/99/43/663079943.db2.gz VAUMGMGQPKOYOY-CVEARBPZSA-N 1 0 387.343 2.804 20 0 GFADRO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000884970992 663081619 /nfs/dbraw/zinc/08/16/19/663081619.db2.gz XPJXKTLHBVYHBK-CYBMUJFWSA-N 1 0 386.323 2.846 20 0 GFADRO Cc1cc(S(=O)(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)sn1 ZINC000885653167 663093892 /nfs/dbraw/zinc/09/38/92/663093892.db2.gz FCEBTAJCZUOJQV-DLBZAZTESA-N 1 0 377.535 2.594 20 0 GFADRO CCc1cc(C(=O)NC[C@H]2CC[N@@H+]2C2CCOCC2)ccc1Br ZINC000885895829 663100816 /nfs/dbraw/zinc/10/08/16/663100816.db2.gz OEUPHVYGFSHTAI-MRXNPFEDSA-N 1 0 381.314 2.995 20 0 GFADRO OC[C@H](C[C@@H]1CCCO1)[NH2+]C1CCN(Cc2ccccc2Br)CC1 ZINC000886226961 663105313 /nfs/dbraw/zinc/10/53/13/663105313.db2.gz UKTURYODUUULCJ-ROUUACIJSA-N 1 0 397.357 2.933 20 0 GFADRO COc1nsc(C[NH2+]C[C@H](O)Cc2ccccc2F)c1Br ZINC000886236191 663105564 /nfs/dbraw/zinc/10/55/64/663105564.db2.gz BBXRBJVTAWXRLQ-SNVBAGLBSA-N 1 0 375.263 2.747 20 0 GFADRO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@@H](CO)C[C@@H]1CCCO1 ZINC000886668236 663115473 /nfs/dbraw/zinc/11/54/73/663115473.db2.gz PDHWERAHINQHCU-WQVCFCJDSA-N 1 0 385.302 2.686 20 0 GFADRO O=S(=O)(NC[C@@H]1C[NH2+]CCC1(F)F)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000886895400 663123875 /nfs/dbraw/zinc/12/38/75/663123875.db2.gz MPMCLMKPPFHWTO-QMMMGPOBSA-N 1 0 392.777 2.882 20 0 GFADRO O=S(=O)(NC[C@@H]1C[NH2+]CCC1(F)F)c1c(Cl)cccc1C(F)(F)F ZINC000886896540 663123926 /nfs/dbraw/zinc/12/39/26/663123926.db2.gz MWPHNQZXBWIDSV-QMMMGPOBSA-N 1 0 392.777 2.882 20 0 GFADRO COc1cc(Cl)c(S(=O)(=O)N2CCCC[C@@]3(CC[NH2+]C3)C2)cc1OC ZINC000886901215 663124165 /nfs/dbraw/zinc/12/41/65/663124165.db2.gz SUBVXRRZWKWKBP-KRWDZBQOSA-N 1 0 388.917 2.512 20 0 GFADRO O=S(=O)(c1cscc1Br)N1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886901104 663124208 /nfs/dbraw/zinc/12/42/08/663124208.db2.gz PUOJXPQCNYUKON-CYBMUJFWSA-N 1 0 379.345 2.665 20 0 GFADRO COC[C@H]([NH2+]CC(=O)Nc1ccc(Br)cc1F)[C@@H]1CCCOC1 ZINC000886910106 663124562 /nfs/dbraw/zinc/12/45/62/663124562.db2.gz LLDMLTRSDGEXSG-ABAIWWIYSA-N 1 0 389.265 2.558 20 0 GFADRO COC[C@@H]([NH2+]CC(=O)NCCc1cccc(Cl)c1Cl)[C@H]1CCCOC1 ZINC000886910517 663124567 /nfs/dbraw/zinc/12/45/67/663124567.db2.gz RVIRZBXBLUCYDL-GOEBONIOSA-N 1 0 389.323 2.683 20 0 GFADRO COc1ccc(NC(=O)NC[C@@H]2C[NH2+]CCC2(F)F)c(Br)c1 ZINC000886932646 663125099 /nfs/dbraw/zinc/12/50/99/663125099.db2.gz JCAZSCKXDIKIPW-VIFPVBQESA-N 1 0 378.217 2.824 20 0 GFADRO CCC[NH+](CCC)CCCC(=O)Nc1cnn(C)c1I ZINC000887069618 663131941 /nfs/dbraw/zinc/13/19/41/663131941.db2.gz PLBUMFMPGMCFJP-UHFFFAOYSA-N 1 0 392.285 2.865 20 0 GFADRO Cc1sc(Cc2ncc(Cl)n2C)nc1-c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000887428051 663146130 /nfs/dbraw/zinc/14/61/30/663146130.db2.gz NVBBGSMFGBNVRQ-LLVKDONJSA-N 1 0 377.905 2.612 20 0 GFADRO C[C@@H](Cc1nc(-c2cn(C3CC[NH2+]CC3)nn2)cs1)n1cc(Cl)cn1 ZINC000887447253 663147155 /nfs/dbraw/zinc/14/71/55/663147155.db2.gz XOAOWIWUCMMPRM-NSHDSACASA-N 1 0 377.905 2.980 20 0 GFADRO C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000887935282 663170729 /nfs/dbraw/zinc/17/07/29/663170729.db2.gz PJNUWAVLALQLNO-FTLABTOESA-N 1 0 384.307 2.522 20 0 GFADRO COc1ccc(CCC(=O)N2C[C@@H]3C[N@H+](C)C[C@]3(C)C2)cc1Br ZINC000887936552 663170962 /nfs/dbraw/zinc/17/09/62/663170962.db2.gz NUXTWPFGKRBBPR-KBXCAEBGSA-N 1 0 381.314 2.800 20 0 GFADRO C[C@@H]1CN(C(=O)Nc2nc3ccc(Cl)nc3s2)CC[N@@H+]1CC(C)(C)O ZINC000888789661 663216451 /nfs/dbraw/zinc/21/64/51/663216451.db2.gz VBCVUERCGCLCLY-SNVBAGLBSA-N 1 0 383.905 2.654 20 0 GFADRO C[NH+]1CCC2(CCN2C(=O)c2cnnn2-c2c(Cl)cccc2Cl)CC1 ZINC000889223028 663237898 /nfs/dbraw/zinc/23/78/98/663237898.db2.gz KAOWEKDFTGJKTP-UHFFFAOYSA-N 1 0 380.279 2.884 20 0 GFADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)Nc1cc(Br)c2ccccc2c1 ZINC000889474210 663246446 /nfs/dbraw/zinc/24/64/46/663246446.db2.gz XRKZZTRCUYWZOM-HNNXBMFYSA-N 1 0 391.313 2.970 20 0 GFADRO Cc1nc(-c2ccc(C(=O)N3CC[C@H]4[C@@H]3CCC[N@@H+]4CCO)s2)cs1 ZINC000889742630 663262185 /nfs/dbraw/zinc/26/21/85/663262185.db2.gz KEPVWBLAQGUTNF-GJZGRUSLSA-N 1 0 377.535 2.851 20 0 GFADRO C[C@H](C(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO)c1ccc(Br)s1 ZINC000889767278 663265157 /nfs/dbraw/zinc/26/51/57/663265157.db2.gz GVFCOIHSMYRQEZ-AVGNSLFASA-N 1 0 387.343 2.672 20 0 GFADRO O=C(CCOc1cccc(Cl)c1Cl)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000889775233 663265981 /nfs/dbraw/zinc/26/59/81/663265981.db2.gz UUAZGGBFYNWMPP-CABCVRRESA-N 1 0 387.307 2.820 20 0 GFADRO O=C(c1ccc(C2SCCS2)cc1)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000889778711 663266335 /nfs/dbraw/zinc/26/63/35/663266335.db2.gz BNHDWWOZPIVPLF-DLBZAZTESA-N 1 0 378.563 2.836 20 0 GFADRO C[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2cc(Br)c3ccccc3c2)C1 ZINC000889943305 663276993 /nfs/dbraw/zinc/27/69/93/663276993.db2.gz QFCOCLUEIDAFGQ-LBPRGKRZSA-N 1 0 390.281 2.609 20 0 GFADRO C[NH+](C)Cc1ccc(C(=O)N[C@@](C)(CO)c2cccc(Br)c2)cn1 ZINC000890630432 663308293 /nfs/dbraw/zinc/30/82/93/663308293.db2.gz NKELCYINLYLLBI-SFHVURJKSA-N 1 0 392.297 2.543 20 0 GFADRO CC[NH+]1CCC(NC(=O)c2ccnc(Br)c2)(C(F)(F)F)CC1 ZINC000891209806 663329968 /nfs/dbraw/zinc/32/99/68/663329968.db2.gz TUBVTEGWRIAIID-UHFFFAOYSA-N 1 0 380.208 2.991 20 0 GFADRO O=C(NCCCc1cccc(Br)c1)NC[C@H]1C[NH2+]CCC1(F)F ZINC000891535970 663342756 /nfs/dbraw/zinc/34/27/56/663342756.db2.gz YVJCKQRCEKBUKE-CYBMUJFWSA-N 1 0 390.272 2.926 20 0 GFADRO CC(C)OCCCNC(=O)C1CC[NH+](C[C@@H]2C[C@@]2(C)Br)CC1 ZINC000891614286 663345320 /nfs/dbraw/zinc/34/53/20/663345320.db2.gz LZOVLAMHXHRTGP-DOTOQJQBSA-N 1 0 375.351 2.803 20 0 GFADRO [NH3+]CCN(Cc1cccc(Cl)c1)C(=O)N[C@@H]1CCO[C@@]2(CCSC2)C1 ZINC000891696958 663347771 /nfs/dbraw/zinc/34/77/71/663347771.db2.gz OSHLBZIUBXVBAK-AEFFLSMTSA-N 1 0 383.945 2.865 20 0 GFADRO [NH3+][C@H]1C[C@@H](CNC(=O)NCCCOc2ncc(C(F)(F)F)cc2Cl)C1 ZINC000891719084 663348360 /nfs/dbraw/zinc/34/83/60/663348360.db2.gz DLQOROBRIRQVSH-JGZJWPJOSA-N 1 0 380.798 2.559 20 0 GFADRO CC(C)(C)c1nc(CCNC(=O)N2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)cs1 ZINC000891731369 663348887 /nfs/dbraw/zinc/34/88/87/663348887.db2.gz QPSABONGRYTPKF-CMPLNLGQSA-N 1 0 378.464 2.762 20 0 GFADRO COc1cc(Br)ccc1CNC(=O)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000891820115 663351790 /nfs/dbraw/zinc/35/17/90/663351790.db2.gz WFOXTVGILIFTRQ-NSHDSACASA-N 1 0 392.244 2.502 20 0 GFADRO [NH3+]C[C@H](NC(=O)N1CC2(CCOCC2)c2ccc(Br)cc21)C1CC1 ZINC000892024088 663359510 /nfs/dbraw/zinc/35/95/10/663359510.db2.gz NPNXVANWKDSHPG-HNNXBMFYSA-N 1 0 394.313 2.764 20 0 GFADRO CN(C[C@@H](O)COc1cc(Cl)cc(Cl)c1)C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000892082384 663361190 /nfs/dbraw/zinc/36/11/90/663361190.db2.gz YWQXHLZGWOLGJV-LSDHHAIUSA-N 1 0 390.311 2.517 20 0 GFADRO COCC1(CNC(=O)NCc2ccc(C)c(Br)c2)CC[NH2+]CC1 ZINC000892112253 663362110 /nfs/dbraw/zinc/36/21/10/663362110.db2.gz IRBJSYUJKDZBGJ-UHFFFAOYSA-N 1 0 384.318 2.573 20 0 GFADRO O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)N[C@H]1[C@@H]2Cc3cc(Br)ccc3[C@@H]21 ZINC000892427324 663373360 /nfs/dbraw/zinc/37/33/60/663373360.db2.gz MOLYTNHIAUGEIT-CBRHPOCDSA-N 1 0 390.325 2.917 20 0 GFADRO [NH3+]CCC1CCN(C(=O)N[C@@H]2[C@H]3Cc4cc(Br)ccc4[C@@H]23)CC1 ZINC000892426077 663373435 /nfs/dbraw/zinc/37/34/35/663373435.db2.gz DXDJABIKTNEMTO-GVDBMIGSSA-N 1 0 378.314 2.858 20 0 GFADRO [NH3+][C@H]1C[C@@H](CNC(=O)N2CCc3[nH]c4c(cccc4Br)c3C2)C1 ZINC000892560975 663377268 /nfs/dbraw/zinc/37/72/68/663377268.db2.gz DHUUHXMGJWNBNZ-PHIMTYICSA-N 1 0 377.286 2.735 20 0 GFADRO C[C@@H]1CN([C@@H](C[NH2+]C2CCS(=O)CC2)c2c(F)cccc2Cl)CCO1 ZINC000892584348 663377946 /nfs/dbraw/zinc/37/79/46/663377946.db2.gz JHUUSMYHFKLMAO-YJISYDQHSA-N 1 0 388.936 2.742 20 0 GFADRO CCOC(=O)c1ncc(Br)c(N2CCC[N@@H+](C3CCCC3)CC2)n1 ZINC000892621719 663378958 /nfs/dbraw/zinc/37/89/58/663378958.db2.gz FDLKMGTYTJPTBV-UHFFFAOYSA-N 1 0 397.317 2.871 20 0 GFADRO CC[NH+]1CCC(CNC(=O)N[C@](C)(CO)c2cccc(Br)c2)CC1 ZINC000892640882 663379505 /nfs/dbraw/zinc/37/95/05/663379505.db2.gz LZQKUSJRQGPNCU-GOSISDBHSA-N 1 0 398.345 2.688 20 0 GFADRO COCCOc1ccc(C[NH2+]CCNC(=O)c2ccc(Br)cc2)o1 ZINC000892657790 663380173 /nfs/dbraw/zinc/38/01/73/663380173.db2.gz QBQZBIAWYURDKH-UHFFFAOYSA-N 1 0 397.269 2.587 20 0 GFADRO C[C@H]([NH2+]C1CCN(c2nc3ccccc3s2)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000892682668 663381232 /nfs/dbraw/zinc/38/12/32/663381232.db2.gz BJZRMXSKJIPRDG-UONOGXRCSA-N 1 0 379.551 2.678 20 0 GFADRO CC(=O)Nc1cc(Br)ccc1C[NH2+]CC1CCN(C(C)=O)CC1 ZINC000892885729 663388129 /nfs/dbraw/zinc/38/81/29/663388129.db2.gz JLLUNJWZQUINAO-UHFFFAOYSA-N 1 0 382.302 2.756 20 0 GFADRO CC(C)NS(=O)(=O)Cc1ccccc1C[NH2+]C[C@H]1C[C@@]1(C)Br ZINC000892923586 663389852 /nfs/dbraw/zinc/38/98/52/663389852.db2.gz ZTXOOAVKJNXNJD-HZPDHXFCSA-N 1 0 389.359 2.778 20 0 GFADRO O=S1CCC([NH2+][C@@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)CC1 ZINC000893137483 663397942 /nfs/dbraw/zinc/39/79/42/663397942.db2.gz BRBLKSPUZJQJOS-JRKVPJCSSA-N 1 0 381.851 2.833 20 0 GFADRO O=C(C[NH2+][C@@H]1CCC2(C[C@H]1F)OCCO2)Nc1ccc(Br)cc1 ZINC000893319232 663407221 /nfs/dbraw/zinc/40/72/21/663407221.db2.gz QWPCITPZJOTJDU-ZIAGYGMSSA-N 1 0 387.249 2.611 20 0 GFADRO Cn1nc2c(c1C[NH2+]C(C)(C)[C@@H](O)c1ccc(Br)cc1)COCC2 ZINC000893600724 663416736 /nfs/dbraw/zinc/41/67/36/663416736.db2.gz FVULHHCLUPUCJA-KRWDZBQOSA-N 1 0 394.313 2.857 20 0 GFADRO CCOC(=O)c1ncc(Br)c(N(CC[NH+](C)C)C2CCCC2)n1 ZINC000893693922 663420573 /nfs/dbraw/zinc/42/05/73/663420573.db2.gz HPZAHXDITXKEFQ-UHFFFAOYSA-N 1 0 385.306 2.726 20 0 GFADRO Cc1[nH+]ccc(NCc2ccncc2OC[C@@H]2CCOC2)c1Br ZINC000893878146 663429519 /nfs/dbraw/zinc/42/95/19/663429519.db2.gz OLLBBWBPQQCMJM-CYBMUJFWSA-N 1 0 378.270 2.997 20 0 GFADRO Cc1cc(NCc2nc(Br)nn2C)ccc1OCC[NH+]1CCCC1 ZINC000894115648 663443713 /nfs/dbraw/zinc/44/37/13/663443713.db2.gz WXTMHDFREZHABU-UHFFFAOYSA-N 1 0 394.317 2.973 20 0 GFADRO Clc1nc(N2CCOCC2)sc1C[NH2+]CCc1ccc2c(c1)OCO2 ZINC000894152657 663445749 /nfs/dbraw/zinc/44/57/49/663445749.db2.gz RGRWBCPRXKHEQX-UHFFFAOYSA-N 1 0 381.885 2.694 20 0 GFADRO CC[NH+](CC)[C@H](CNCc1nc(Br)nn1C)c1cccc(OC)c1 ZINC000894157006 663446095 /nfs/dbraw/zinc/44/60/95/663446095.db2.gz QRBUWEFSYLURGL-OAHLLOKOSA-N 1 0 396.333 2.759 20 0 GFADRO COc1cccc([C@@H](CNCc2nc(Br)nn2C)[NH+]2CCCC2)c1 ZINC000894161100 663446108 /nfs/dbraw/zinc/44/61/08/663446108.db2.gz RTGVXTXQYWSTSS-OAHLLOKOSA-N 1 0 394.317 2.513 20 0 GFADRO CN(C)C(=O)[C@H]1CCCN1CCC[NH2+]Cc1cc2ccnc(Cl)c2s1 ZINC000894212475 663449054 /nfs/dbraw/zinc/44/90/54/663449054.db2.gz BLGQHLJIOWBVJB-OAHLLOKOSA-N 1 0 380.945 2.982 20 0 GFADRO C[C@H]1C[C@@H]([NH2+]Cc2cc3ccnc(Cl)c3s2)C(=O)N1c1cnn(C)c1 ZINC000894312745 663453767 /nfs/dbraw/zinc/45/37/67/663453767.db2.gz MXSIDUWYLXXANP-IINYFYTJSA-N 1 0 375.885 2.967 20 0 GFADRO C[C@@H](C[NH2+]Cc1c(I)cnn1C)Oc1ccccc1F ZINC000894310081 663453776 /nfs/dbraw/zinc/45/37/76/663453776.db2.gz GRCZWAKKTFWGAM-JTQLQIEISA-N 1 0 389.212 2.721 20 0 GFADRO C[C@@H](C[C@H](O)c1ccccc1)[NH2+]Cc1c(I)cnn1C ZINC000894366985 663458238 /nfs/dbraw/zinc/45/82/38/663458238.db2.gz IWATYOUKCBUWBW-NHYWBVRUSA-N 1 0 385.249 2.627 20 0 GFADRO Cn1cc(C[NH2+][C@@H]2CCO[C@H](C(C)(C)C)C2)c(I)n1 ZINC000894367021 663458492 /nfs/dbraw/zinc/45/84/92/663458492.db2.gz QOSZYGLRAKSCGQ-NEPJUHHUSA-N 1 0 377.270 2.708 20 0 GFADRO Cn1nc(Br)nc1CNc1ccc(N2CCC([NH+](C)C)CC2)cc1 ZINC000894372026 663458734 /nfs/dbraw/zinc/45/87/34/663458734.db2.gz IIVUKKYXQGGJDS-UHFFFAOYSA-N 1 0 393.333 2.720 20 0 GFADRO COC(=O)N1CCC(C[NH2+]Cc2ccc(Br)cc2NC(C)=O)CC1 ZINC000894427852 663461091 /nfs/dbraw/zinc/46/10/91/663461091.db2.gz PHLSJKCAVAVIHN-UHFFFAOYSA-N 1 0 398.301 2.976 20 0 GFADRO C[C@@H](NC(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO)c1ccc(Br)cc1 ZINC000894456166 663462676 /nfs/dbraw/zinc/46/26/76/663462676.db2.gz MKIBWPBKROPDHD-XYPHTWIQSA-N 1 0 396.329 2.751 20 0 GFADRO C[C@H]([NH2+]CCc1c[nH]c2cccc(Br)c12)[C@H]1CCS(=O)(=O)C1 ZINC000894534162 663467336 /nfs/dbraw/zinc/46/73/36/663467336.db2.gz LOCTWNCNVCDQOT-AAEUAGOBSA-N 1 0 385.327 2.886 20 0 GFADRO C[NH+]1CCC2(CCN2C(=O)N[C@@H]2COc3cc(F)c(Br)cc32)CC1 ZINC000894633048 663473631 /nfs/dbraw/zinc/47/36/31/663473631.db2.gz DAWZLJMZMZIVGL-CQSZACIVSA-N 1 0 398.276 2.901 20 0 GFADRO OCC[C@H](Cc1ccccc1)[NH2+]Cc1sc(N2CCOCC2)nc1Cl ZINC000894662441 663475311 /nfs/dbraw/zinc/47/53/11/663475311.db2.gz IIUUYGSYRLXLAD-OAHLLOKOSA-N 1 0 381.929 2.716 20 0 GFADRO O=C(N1C[C@@H]2CC[N@H+](Cc3c(Cl)n[nH]c3C3CC3)C[C@H]2C1)C(F)(F)F ZINC000894722098 663477584 /nfs/dbraw/zinc/47/75/84/663477584.db2.gz IAXXQXVGEORFLC-QWRGUYRKSA-N 1 0 376.810 2.783 20 0 GFADRO O=S(=O)(NC[C@H]1CCC[N@@H+](Cc2cc3c(cccc3O)s2)C1)C1CC1 ZINC000894785108 663481446 /nfs/dbraw/zinc/48/14/46/663481446.db2.gz RGHKHDPTQPWUNA-CYBMUJFWSA-N 1 0 380.535 2.901 20 0 GFADRO CC[C@](O)(CCC(F)(F)F)CNC(=O)NCC1(SC)CC[NH+](C)CC1 ZINC000894951009 663491061 /nfs/dbraw/zinc/49/10/61/663491061.db2.gz GSETYSISRAUDMA-AWEZNQCLSA-N 1 0 385.496 2.597 20 0 GFADRO CC(=O)Nc1cc(Br)ccc1C[NH2+]C[C@@H]1CC(=O)N(C2CC2)C1 ZINC000895176926 663501995 /nfs/dbraw/zinc/50/19/95/663501995.db2.gz SEGMUIIZKCWDOP-LBPRGKRZSA-N 1 0 380.286 2.508 20 0 GFADRO Cn1cc(C[NH2+]C2CC(Nc3ccccc3)C2)c(I)n1 ZINC000895475820 663516473 /nfs/dbraw/zinc/51/64/73/663516473.db2.gz AINBWNUKQNMJGA-UHFFFAOYSA-N 1 0 382.249 2.757 20 0 GFADRO C[N@H+](CCCNC(=O)c1nn2c(c1Br)CCC2)C1CCCCC1 ZINC000895626304 663521476 /nfs/dbraw/zinc/52/14/76/663521476.db2.gz PURXFMMMIGLWCA-UHFFFAOYSA-N 1 0 383.334 2.976 20 0 GFADRO Cn1cc(C[NH2+]C(C)(C)[C@H](O)c2ccccc2)c(I)n1 ZINC000895662488 663522485 /nfs/dbraw/zinc/52/24/85/663522485.db2.gz PGQGBTPKMNQMOS-CYBMUJFWSA-N 1 0 385.249 2.627 20 0 GFADRO O=C1Nc2ccc(Br)cc2CC[C@H]1[NH2+]C1CC(n2cccn2)C1 ZINC000895695383 663523372 /nfs/dbraw/zinc/52/33/72/663523372.db2.gz XCHSLYQSDIJWJP-ZBCRRDGASA-N 1 0 375.270 2.892 20 0 GFADRO O=C1NCC2(CCOCC2)[C@H]1[NH2+]C1CC(c2ccc(Br)cc2F)C1 ZINC000895768447 663526787 /nfs/dbraw/zinc/52/67/87/663526787.db2.gz HKEYUPKSRGTWRE-TZDAIYRESA-N 1 0 397.288 2.719 20 0 GFADRO COC(=O)[C@@H]1OCC[C@@H]1C[NH2+]Cc1c(Br)ccc(Cl)c1F ZINC000895831365 663529426 /nfs/dbraw/zinc/52/94/26/663529426.db2.gz CXJZLOYGLOFGMJ-AMIZOPFISA-N 1 0 380.641 2.909 20 0 GFADRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1nn2c(c1Br)CCC2 ZINC000895855004 663530283 /nfs/dbraw/zinc/53/02/83/663530283.db2.gz PLRKHDMZTKAMQS-UPJWGTAASA-N 1 0 383.334 2.688 20 0 GFADRO C[N@@H+]1C[C@@H]2CN(C(=O)NCc3cc(C(F)(F)F)cc(Cl)n3)C[C@]2(C)C1 ZINC000896300397 663549995 /nfs/dbraw/zinc/54/99/95/663549995.db2.gz RLEKAWYISAQBJM-ABAIWWIYSA-N 1 0 376.810 2.847 20 0 GFADRO C[C@@]1([C@@H]2CCC[N@H+](Cc3cn4ccc(Br)cc4n3)C2)COC(=O)N1 ZINC000896393611 663554932 /nfs/dbraw/zinc/55/49/32/663554932.db2.gz JJTOEZDEODDMQY-PXAZEXFGSA-N 1 0 393.285 2.807 20 0 GFADRO C[C@@H](NC(=O)c1ccc(Br)c(Cl)c1F)[C@H]1C[N@H+](C)CCN1C ZINC000896545555 663562922 /nfs/dbraw/zinc/56/29/22/663562922.db2.gz QWESDJJJQYMAJA-BXKDBHETSA-N 1 0 392.700 2.606 20 0 GFADRO CC(=O)Nc1cc(Br)ccc1C[NH2+]CC1(C2(O)CCOCC2)CC1 ZINC000896625211 663568800 /nfs/dbraw/zinc/56/88/00/663568800.db2.gz JJRKALWRPLYICZ-UHFFFAOYSA-N 1 0 397.313 2.819 20 0 GFADRO CS(=O)(=O)c1ccccc1CC[NH2+]Cc1cnc(CC(F)(F)F)s1 ZINC000896811338 663577820 /nfs/dbraw/zinc/57/78/20/663577820.db2.gz IXGGXFBZYFPXBH-UHFFFAOYSA-N 1 0 378.441 2.984 20 0 GFADRO CC(C)(C)OC(=O)N1CCC[C@@]1(C[NH2+]C1CCS(=O)CC1)C(F)(F)F ZINC000896918158 663581798 /nfs/dbraw/zinc/58/17/98/663581798.db2.gz LFRDZEDYCLCJIO-QQDRFEGGSA-N 1 0 384.464 2.819 20 0 GFADRO O=C1NC[C@H](O)CC12CC[NH+](Cc1cc(C(F)(F)F)ccc1Cl)CC2 ZINC000897040254 663587608 /nfs/dbraw/zinc/58/76/08/663587608.db2.gz FANKBMRAPSORCL-CYBMUJFWSA-N 1 0 376.806 2.822 20 0 GFADRO N=[S@](=O)(c1ccc(N2CC[C@H]3[C@H]2CCC[N@H+]3CCO)cc1)C(F)(F)F ZINC000897219764 663594987 /nfs/dbraw/zinc/59/49/87/663594987.db2.gz OBJNGGGEPCBNQU-AYNSBQOLSA-N 1 0 377.432 2.647 20 0 GFADRO CSc1ccc(Br)cc1CCNC(=O)N(C)CC1C[NH+](C)C1 ZINC000897221572 663595564 /nfs/dbraw/zinc/59/55/64/663595564.db2.gz NHKBPXYJJWFMOO-UHFFFAOYSA-N 1 0 386.359 2.917 20 0 GFADRO CC(C)[NH+]1CCC(NC(=O)C(=O)NCCc2ccc(Cl)c(Cl)c2)CC1 ZINC000897341937 663601818 /nfs/dbraw/zinc/60/18/18/663601818.db2.gz OKJCYEBKUJUCOU-UHFFFAOYSA-N 1 0 386.323 2.641 20 0 GFADRO C[N@@H+]1CCCC[C@H](CNC(=O)N[C@@H](CCO)c2ccccc2Br)C1 ZINC000897550971 663609925 /nfs/dbraw/zinc/60/99/25/663609925.db2.gz AFZBSDTYXIXIRO-PBHICJAKSA-N 1 0 398.345 2.904 20 0 GFADRO O=C(N[C@@H]1C[C@H]1c1ccc(Br)cc1)C1C[NH+](C2CCOCC2)C1 ZINC000897637850 663614521 /nfs/dbraw/zinc/61/45/21/663614521.db2.gz SMHLRGHQQVKEAG-DLBZAZTESA-N 1 0 379.298 2.532 20 0 GFADRO CCOC(=O)C1([C@H](C)[NH2+]Cc2cc(C)c(Br)cn2)CCOCC1 ZINC000897740515 663617937 /nfs/dbraw/zinc/61/79/37/663617937.db2.gz APVFIKJNPQMGFL-ZDUSSCGKSA-N 1 0 385.302 2.991 20 0 GFADRO C[N@H+](CCCCNC(=O)C(=O)NCCc1ccc(Cl)c(Cl)c1)C1CC1 ZINC000898060507 663631810 /nfs/dbraw/zinc/63/18/10/663631810.db2.gz QAALFTYOMUKDPS-UHFFFAOYSA-N 1 0 386.323 2.643 20 0 GFADRO CC(C)(NC(=O)C1C[NH+](C2CCOCC2)C1)c1ccc(Br)cc1 ZINC000898125433 663634848 /nfs/dbraw/zinc/63/48/48/663634848.db2.gz MQQCVFSYFHKSCL-UHFFFAOYSA-N 1 0 381.314 2.911 20 0 GFADRO O=c1cc(N2CC[C@@H]([NH2+]Cc3cccc(Cl)c3Br)C2)nc[nH]1 ZINC000898149516 663635609 /nfs/dbraw/zinc/63/56/09/663635609.db2.gz CPUPOUXEZIZUCD-LLVKDONJSA-N 1 0 383.677 2.967 20 0 GFADRO C[C@@H](Cc1ccc(Br)cc1)[NH2+][C@@H]1CCN(c2cc(=O)[nH]cn2)C1 ZINC000898153182 663636220 /nfs/dbraw/zinc/63/62/20/663636220.db2.gz UKLSJQRXJYPLIS-SWLSCSKDSA-N 1 0 377.286 2.744 20 0 GFADRO CCOC(=O)c1ccc(C[NH2+][C@](C)(CO)c2cccc(Br)c2)[nH]1 ZINC000898168937 663636924 /nfs/dbraw/zinc/63/69/24/663636924.db2.gz UTCPVBDTDNMQBC-QGZVFWFLSA-N 1 0 381.270 2.951 20 0 GFADRO Brc1cc(C[NH2+]Cc2cnc3n2CCOC3)cc2c1OCCCO2 ZINC000898271657 663641610 /nfs/dbraw/zinc/64/16/10/663641610.db2.gz GIZHZLAANZUQCD-UHFFFAOYSA-N 1 0 394.269 2.627 20 0 GFADRO CCO[P@](C)(=O)CC[C@@H](C)[NH2+]Cc1cccc(N(C)S(C)(=O)=O)c1 ZINC000898282604 663641990 /nfs/dbraw/zinc/64/19/90/663641990.db2.gz HWABEOMBURQDRS-FATZIPQQSA-N 1 0 376.459 2.895 20 0 GFADRO O=C(Cc1ccc(F)cc1Br)NC1CC[NH+](C2CCOCC2)CC1 ZINC000898634805 663658684 /nfs/dbraw/zinc/65/86/84/663658684.db2.gz MLUOHKRTJRVEDU-UHFFFAOYSA-N 1 0 399.304 2.890 20 0 GFADRO C[C@H]([NH2+][C@H]1CCc2ncc(Br)n2C1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000898720607 663660578 /nfs/dbraw/zinc/66/05/78/663660578.db2.gz MHIFNOBUBREOSK-AAEUAGOBSA-N 1 0 399.333 2.805 20 0 GFADRO C[C@H](CC(=O)N(C)c1ccccc1)[NH2+][C@H]1CCc2ncc(Br)n2C1 ZINC000898724215 663661230 /nfs/dbraw/zinc/66/12/30/663661230.db2.gz MBDIDOHBXOLNPA-KGLIPLIRSA-N 1 0 391.313 2.992 20 0 GFADRO Brc1cnc2n1C[C@@H]([NH2+]Cc1ccc(Br)cn1)CC2 ZINC000898725455 663661629 /nfs/dbraw/zinc/66/16/29/663661629.db2.gz UFTDLSYBJGFAEN-NSHDSACASA-N 1 0 386.091 2.908 20 0 GFADRO COCC[NH2+]Cc1ccn(Cc2cn(-c3cc(Cl)cc(Cl)c3)nn2)n1 ZINC000899739265 663699737 /nfs/dbraw/zinc/69/97/37/663699737.db2.gz GBDYSTSKEXRRMQ-UHFFFAOYSA-N 1 0 381.267 2.555 20 0 GFADRO O=C1Nc2ccc(Br)cc2[C@H]1Cc1nc([C@@H]2CCC[NH2+]C2)no1 ZINC000900011714 663706497 /nfs/dbraw/zinc/70/64/97/663706497.db2.gz GIWXXKBRJVUUDG-BXKDBHETSA-N 1 0 377.242 2.578 20 0 GFADRO O=C1Nc2ccc(Br)cc2[C@@H]1Cc1nc([C@@H]2CCC[NH2+]C2)no1 ZINC000900011717 663706509 /nfs/dbraw/zinc/70/65/09/663706509.db2.gz GIWXXKBRJVUUDG-SKDRFNHKSA-N 1 0 377.242 2.578 20 0 GFADRO C[C@H](CNC(=O)c1c(Cl)cccc1C(F)(F)F)C[NH+]1CCN(C)CC1 ZINC000900693151 663719803 /nfs/dbraw/zinc/71/98/03/663719803.db2.gz NGRSJJFNFGJIDO-GFCCVEGCSA-N 1 0 377.838 2.972 20 0 GFADRO CC(C)[NH+]1CCN(CCCC(=O)NCc2nc(C(F)(F)F)cs2)CC1 ZINC000900796864 663721669 /nfs/dbraw/zinc/72/16/69/663721669.db2.gz QAFRCMZWXQMENJ-UHFFFAOYSA-N 1 0 378.464 2.584 20 0 GFADRO O=C(Nc1ccc(CCn2cc(Br)cn2)cc1)C12CC[NH+](CC1)C2 ZINC000900830377 663722350 /nfs/dbraw/zinc/72/23/50/663722350.db2.gz MLSGIZRQRRINFU-UHFFFAOYSA-N 1 0 389.297 2.923 20 0 GFADRO Cc1ccc(C[NH+](C)C)cc1NC(=O)c1c[nH]nc1I ZINC000900955354 663727590 /nfs/dbraw/zinc/72/75/90/663727590.db2.gz OCLBHUQRRUABRI-UHFFFAOYSA-N 1 0 384.221 2.637 20 0 GFADRO O=C(Nc1nccn1Cc1ccc(Br)cc1)C12CC[NH+](CC1)C2 ZINC000901013587 663728805 /nfs/dbraw/zinc/72/88/05/663728805.db2.gz VNUYMKXUGDMBRH-UHFFFAOYSA-N 1 0 375.270 2.728 20 0 GFADRO C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)NCc1cc(Cl)cc(Cl)c1OC(F)F ZINC000901017079 663728965 /nfs/dbraw/zinc/72/89/65/663728965.db2.gz KCRKLWHZUULYOD-BMIGLBTASA-N 1 0 383.222 2.666 20 0 GFADRO CC(C)[NH+]1CCN(CCC(=O)NC[C@@H](O)c2c(Cl)cccc2Cl)CC1 ZINC000901076652 663730101 /nfs/dbraw/zinc/73/01/01/663730101.db2.gz OHELLXJYDBCAFQ-MRXNPFEDSA-N 1 0 388.339 2.559 20 0 GFADRO C[NH+](C)CCn1nccc1C(=O)N1CCc2cc(Br)cc(F)c2C1 ZINC000901327296 663734165 /nfs/dbraw/zinc/73/41/65/663734165.db2.gz XQUKHNSCBSNPDI-UHFFFAOYSA-N 1 0 395.276 2.545 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCc2ncc(Br)n2C1)C(=O)Nc1cccnc1Cl ZINC000901728500 663743816 /nfs/dbraw/zinc/74/38/16/663743816.db2.gz OBZUYBCFDNJOID-VHSXEESVSA-N 1 0 398.692 2.626 20 0 GFADRO CC[C@@H]1CCCCN1C(=O)[C@@H](C)[NH2+][C@H]1CCc2ncc(Br)n2C1 ZINC000901730393 663743958 /nfs/dbraw/zinc/74/39/58/663743958.db2.gz WKFOYOCQGYAJNC-HZSPNIEDSA-N 1 0 383.334 2.730 20 0 GFADRO CCCC[N@H+](Cn1nnc(-c2cscn2)n1)[C@H]1CCc2ncsc2C1 ZINC000902301153 663758671 /nfs/dbraw/zinc/75/86/71/663758671.db2.gz CUNKNOQIVLTWIG-LBPRGKRZSA-N 1 0 375.527 2.870 20 0 GFADRO CC1(C)C[NH2+]CC[C@H](NCc2ccc(S(C)(=O)=O)c(C(F)(F)F)c2)C1 ZINC000902374655 663760341 /nfs/dbraw/zinc/76/03/41/663760341.db2.gz CCRZANJYVHZESD-ZDUSSCGKSA-N 1 0 378.460 2.977 20 0 GFADRO CCCn1cc([C@@H](C)[NH2+]C[C@H](CO)Cc2ccccc2Br)nn1 ZINC000902972560 663770158 /nfs/dbraw/zinc/77/01/58/663770158.db2.gz GCYACFFCXQQHHT-ZIAGYGMSSA-N 1 0 381.318 2.952 20 0 GFADRO CCCn1cc([C@@H](C)[NH2+]C[C@@H](CO)Cc2ccc(Br)cc2)nn1 ZINC000902973890 663770194 /nfs/dbraw/zinc/77/01/94/663770194.db2.gz XWNNLCZUQPNNRR-HIFRSBDPSA-N 1 0 381.318 2.952 20 0 GFADRO C[C@@H]([NH2+][C@@H](C)C(=O)NC(C)(C)C)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000903083602 663772807 /nfs/dbraw/zinc/77/28/07/663772807.db2.gz KAOVXTRLVOGJPC-MNOVXSKESA-N 1 0 380.432 2.934 20 0 GFADRO COc1ccc2c(c1Cl)[C@H]([NH2+]CC1CCN(S(C)(=O)=O)CC1)CCC2 ZINC000903085684 663772822 /nfs/dbraw/zinc/77/28/22/663772822.db2.gz FRDQDDSIZMJASS-OAHLLOKOSA-N 1 0 386.945 2.987 20 0 GFADRO Cc1cc(Br)c(F)cc1S(=O)(=O)N1CCC([NH+]2CCC2)CC1 ZINC000903206482 663778381 /nfs/dbraw/zinc/77/83/81/663778381.db2.gz IJRDFWPINILPMR-UHFFFAOYSA-N 1 0 391.306 2.755 20 0 GFADRO O=S(=O)(c1cc(Cl)ccc1OC(F)F)N1CCC([NH+]2CCC2)CC1 ZINC000903204323 663778445 /nfs/dbraw/zinc/77/84/45/663778445.db2.gz NUJLKCWBZUQQDP-UHFFFAOYSA-N 1 0 380.844 2.800 20 0 GFADRO CS(C)(=O)=NS(=O)(=O)CC[NH2+][C@H]1CCCCc2ccc(Cl)cc21 ZINC000903229797 663779569 /nfs/dbraw/zinc/77/95/69/663779569.db2.gz PQOCJDHHYQAAPW-HNNXBMFYSA-N 1 0 378.947 2.755 20 0 GFADRO CC[C@](O)(CCC(F)(F)F)C[NH2+][C@@H](C)c1ccc(S(=O)(=O)NC)cc1 ZINC000903257861 663780630 /nfs/dbraw/zinc/78/06/30/663780630.db2.gz YZPCGZHQYZFCLT-WFASDCNBSA-N 1 0 382.448 2.729 20 0 GFADRO CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+][C@H]2CCCN3CCSC[C@H]23)cc1 ZINC000903271747 663780915 /nfs/dbraw/zinc/78/09/15/663780915.db2.gz NFTPKVKWERWPNL-JCGIZDLHSA-N 1 0 383.583 2.679 20 0 GFADRO CC[C@H](Cc1ccc(Br)cc1)[NH2+]C[C@@]1(OC)CCS(=O)(=O)C1 ZINC000903362093 663782509 /nfs/dbraw/zinc/78/25/09/663782509.db2.gz CTSROADVTMHKJO-CVEARBPZSA-N 1 0 390.343 2.564 20 0 GFADRO CC[C@H](Cc1ccc(Br)cc1)[NH2+]C[C@]1(OC)CCS(=O)(=O)C1 ZINC000903362095 663782569 /nfs/dbraw/zinc/78/25/69/663782569.db2.gz CTSROADVTMHKJO-HZPDHXFCSA-N 1 0 390.343 2.564 20 0 GFADRO CO[C@@]1(C[NH2+][C@@H](C)c2ccc(Br)cc2C)CCS(=O)(=O)C1 ZINC000903363428 663782701 /nfs/dbraw/zinc/78/27/01/663782701.db2.gz OJOFFUZCZPGDCN-SWLSCSKDSA-N 1 0 376.316 2.612 20 0 GFADRO CO[C@@]1(C[NH2+][C@@H](C)CCCOc2ccc(Cl)c(C)c2)CCS(=O)(=O)C1 ZINC000903364452 663782869 /nfs/dbraw/zinc/78/28/69/663782869.db2.gz WSUAWXDKCDKPMS-MAUKXSAKSA-N 1 0 389.945 2.989 20 0 GFADRO CO[C@@]1(C[NH2+][C@@H]2CCCc3ccc(Br)cc32)CCS(=O)(=O)C1 ZINC000903366720 663783034 /nfs/dbraw/zinc/78/30/34/663783034.db2.gz VMELRRPQBAEWAK-HZPDHXFCSA-N 1 0 388.327 2.620 20 0 GFADRO CC[C@H]([NH2+]C[C@@]1(OC)CCS(=O)(=O)C1)c1cc(F)cc(Br)c1 ZINC000903366012 663783054 /nfs/dbraw/zinc/78/30/54/663783054.db2.gz RPVYHQBQXAQFJU-GJZGRUSLSA-N 1 0 394.306 2.833 20 0 GFADRO O=c1ccn(CCC[NH2+][C@H]2CCc3c2c(Br)ccc3F)c(=O)[nH]1 ZINC000903431951 663784487 /nfs/dbraw/zinc/78/44/87/663784487.db2.gz DFONPJCABIPJPP-ZDUSSCGKSA-N 1 0 382.233 2.518 20 0 GFADRO O=c1ccn(CCC[NH2+][C@@H]2CCSc3ccc(Br)cc32)c(=O)[nH]1 ZINC000903432988 663784583 /nfs/dbraw/zinc/78/45/83/663784583.db2.gz TXHRMEZTMPGUPO-CYBMUJFWSA-N 1 0 396.310 2.928 20 0 GFADRO COC(=O)C1CC2(C1)C[C@H]([NH2+][C@H](C)c1csc(Cl)c1)CCS2(=O)=O ZINC000903451346 663784961 /nfs/dbraw/zinc/78/49/61/663784961.db2.gz FYPXBLJBBLADTA-DJWCULPGSA-N 1 0 391.942 2.951 20 0 GFADRO CC[C@@H]1CN(S(=O)(=O)c2c[nH]c3cc(Br)ccc32)CC[C@@H]1[NH3+] ZINC000903495174 663785710 /nfs/dbraw/zinc/78/57/10/663785710.db2.gz RETFBMWUOWPRTI-MFKMUULPSA-N 1 0 386.315 2.678 20 0 GFADRO O=S(=O)(c1c[nH]c2cc(Br)ccc21)N1CCC2(C1)CC[NH2+]CC2 ZINC000903496005 663785765 /nfs/dbraw/zinc/78/57/65/663785765.db2.gz RNLLFTCRIQOATJ-UHFFFAOYSA-N 1 0 398.326 2.695 20 0 GFADRO CC1(C)C[NH2+]CC[C@H]1NS(=O)(=O)c1c[nH]c2cc(Br)ccc21 ZINC000903503367 663785845 /nfs/dbraw/zinc/78/58/45/663785845.db2.gz JBIZWZGUWFFIMQ-CQSZACIVSA-N 1 0 386.315 2.597 20 0 GFADRO C[NH2+]CCC1CCN(S(=O)(=O)Cc2cccc(F)c2Br)CC1 ZINC000903517631 663786719 /nfs/dbraw/zinc/78/67/19/663786719.db2.gz GMPMPXUIHAOAAD-UHFFFAOYSA-N 1 0 393.322 2.740 20 0 GFADRO CN(CCCCCC[NH3+])S(=O)(=O)Cc1cccc(F)c1Br ZINC000903527430 663787351 /nfs/dbraw/zinc/78/73/51/663787351.db2.gz ZTSVXGJJQDMPBB-UHFFFAOYSA-N 1 0 381.311 2.869 20 0 GFADRO [NH3+]CC1(c2ccccc2)CCN(S(=O)(=O)c2ccc(Br)o2)CC1 ZINC000903532652 663787484 /nfs/dbraw/zinc/78/74/84/663787484.db2.gz IEVBXAJVWDNYLR-UHFFFAOYSA-N 1 0 399.310 2.723 20 0 GFADRO O=S(=O)(N[C@H]1C[NH2+]CC2(CCOCC2)C1)c1ccc(Cl)c(F)c1Cl ZINC000903544700 663788104 /nfs/dbraw/zinc/78/81/04/663788104.db2.gz GRTJQIVMRKBXRI-SNVBAGLBSA-N 1 0 397.299 2.570 20 0 GFADRO O=S(=O)(/C=C/c1ccc(Br)cc1)NC1(C2CC[NH2+]CC2)CC1 ZINC000903557217 663788481 /nfs/dbraw/zinc/78/84/81/663788481.db2.gz UNEHIVSWUCFAQJ-KPKJPENVSA-N 1 0 385.327 2.871 20 0 GFADRO Cc1cc(Br)ccc1CS(=O)(=O)NC1(C2CC[NH2+]CC2)CC1 ZINC000903555474 663788552 /nfs/dbraw/zinc/78/85/52/663788552.db2.gz OEPAEYNWTKFEPD-UHFFFAOYSA-N 1 0 387.343 2.709 20 0 GFADRO O=S(=O)(NC1(C2CC[NH2+]CC2)CC1)c1cc(Cl)ccc1OC(F)F ZINC000903557717 663788774 /nfs/dbraw/zinc/78/87/74/663788774.db2.gz IKEMLAPPJBHEPM-UHFFFAOYSA-N 1 0 380.844 2.752 20 0 GFADRO [NH3+][C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)C[C@H]1C(F)(F)F ZINC000903569701 663788919 /nfs/dbraw/zinc/78/89/19/663788919.db2.gz ICYGSOKSTGNBFM-RKDXNWHRSA-N 1 0 396.740 2.869 20 0 GFADRO Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903572203 663789294 /nfs/dbraw/zinc/78/92/94/663789294.db2.gz HXYMZGUOASUQSJ-NXEZZACHSA-N 1 0 376.322 2.524 20 0 GFADRO [NH3+][C@H]1CN(S(=O)(=O)c2ccc(CC(F)(F)F)cc2)CC[C@H]1C(F)(F)F ZINC000903579697 663790059 /nfs/dbraw/zinc/79/00/59/663790059.db2.gz PBFKKZKBJDLTNE-NEPJUHHUSA-N 1 0 390.349 2.692 20 0 GFADRO CCC(=O)c1ccc(Cl)c(S(=O)(=O)N2CC[C@H](C(F)(F)F)[C@@H]([NH3+])C2)c1 ZINC000903580636 663790242 /nfs/dbraw/zinc/79/02/42/663790242.db2.gz WIQKNJYGTZWSHJ-JQWIXIFHSA-N 1 0 398.834 2.833 20 0 GFADRO [NH3+]C[C@H]1Cc2cc(F)ccc2N(S(=O)(=O)C[C@@H]2CCCCC2(F)F)C1 ZINC000903589108 663790815 /nfs/dbraw/zinc/79/08/15/663790815.db2.gz SXGBTONQSXQEET-OCCSQVGLSA-N 1 0 376.444 2.918 20 0 GFADRO O=S(=O)(c1cccc(Br)c1Cl)N1CCC[C@]12CC[NH2+]C2 ZINC000903593947 663790999 /nfs/dbraw/zinc/79/09/99/663790999.db2.gz ZWDXVPKLYLWJSZ-CYBMUJFWSA-N 1 0 379.707 2.619 20 0 GFADRO COCC[C@H]1C[NH2+]CCN1Cc1ccnc(-c2ccc(Br)cc2)n1 ZINC000903837759 663808153 /nfs/dbraw/zinc/80/81/53/663808153.db2.gz PTCRMSANKADHBN-KRWDZBQOSA-N 1 0 391.313 2.716 20 0 GFADRO Cc1c(C[C@H](C[NH3+])CN2CCC[C@@H]2c2ccc(Br)cn2)cnn1C ZINC000903930223 663812321 /nfs/dbraw/zinc/81/23/21/663812321.db2.gz VECGDKYCCYZCEV-RDTXWAMCSA-N 1 0 392.345 2.841 20 0 GFADRO COc1cc(Br)c(CN2CC[C@H](C(F)(F)F)[C@@H]([NH3+])C2)cc1O ZINC000903983627 663815277 /nfs/dbraw/zinc/81/52/77/663815277.db2.gz KMIQPSSTSYWPKP-ONGXEEELSA-N 1 0 383.208 2.875 20 0 GFADRO C[N@@H+]1CC[C@H](Cc2nc(Cc3cc4c(cc3Br)OCO4)no2)C1 ZINC000903994713 663816264 /nfs/dbraw/zinc/81/62/64/663816264.db2.gz KOCFLGITCBKSQE-SNVBAGLBSA-N 1 0 380.242 2.646 20 0 GFADRO C[N@@H+]1CC[C@@H](Cc2nc(COc3ccc(I)cc3)no2)C1 ZINC000904066043 663822039 /nfs/dbraw/zinc/82/20/39/663822039.db2.gz JBJDLVGJBBAQFQ-NSHDSACASA-N 1 0 399.232 2.747 20 0 GFADRO C[NH2+][C@H](C)Cc1noc(-c2ccc(Cn3cc(Br)cn3)s2)n1 ZINC000904076949 663823065 /nfs/dbraw/zinc/82/30/65/663823065.db2.gz LIQLKLIZNKYKTF-SECBINFHSA-N 1 0 382.287 2.956 20 0 GFADRO C[NH2+]CCCCc1nc(Cc2cccc(F)c2I)no1 ZINC000904104231 663824551 /nfs/dbraw/zinc/82/45/51/663824551.db2.gz OJXKYPBGOOFBCR-UHFFFAOYSA-N 1 0 389.212 2.946 20 0 GFADRO C[NH2+]CCCCc1nc(-c2n[nH]c(-c3cccc(Br)c3)n2)no1 ZINC000904117203 663825103 /nfs/dbraw/zinc/82/51/03/663825103.db2.gz UMLNKKSWNTWXOX-UHFFFAOYSA-N 1 0 377.246 2.826 20 0 GFADRO COC(=O)c1cc(Br)ccc1NC(=O)N1CCC[C@]12CC[NH2+]C2 ZINC000904389329 663832302 /nfs/dbraw/zinc/83/23/02/663832302.db2.gz KKOMFETWPWUPKS-MRXNPFEDSA-N 1 0 382.258 2.596 20 0 GFADRO [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)Nc1cccc(F)c1I)C2 ZINC000904394551 663832544 /nfs/dbraw/zinc/83/25/44/663832544.db2.gz WEXZDZDJKFHECX-AEJSXWLSSA-N 1 0 389.212 2.774 20 0 GFADRO COC(=O)c1cc(NC(=O)N2CC[C@H]3CC[C@@]32C[NH3+])ccc1Br ZINC000904407351 663833071 /nfs/dbraw/zinc/83/30/71/663833071.db2.gz UIYHICQOCTWREW-QLJPJBMISA-N 1 0 382.258 2.581 20 0 GFADRO CCOCCOc1ccc(Br)cc1NC(=O)N[C@H]1C[C@H](C[NH3+])C1 ZINC000904410790 663833106 /nfs/dbraw/zinc/83/31/06/663833106.db2.gz IJGHRXJAYNKZKI-AULYBMBSSA-N 1 0 386.290 2.723 20 0 GFADRO CN(C(=O)Nc1c(F)cc(F)cc1Br)C1(C[NH3+])CCOCC1 ZINC000904430374 663833891 /nfs/dbraw/zinc/83/38/91/663833891.db2.gz HKSKLLPGIFSEFO-UHFFFAOYSA-N 1 0 378.217 2.699 20 0 GFADRO COc1cc(OC)c(NC(=O)N2CC[C@@H]3CC[C@@]32C[NH3+])cc1Br ZINC000904428996 663833907 /nfs/dbraw/zinc/83/39/07/663833907.db2.gz UFQMKSKBOXAISG-MGPLVRAMSA-N 1 0 384.274 2.811 20 0 GFADRO COC[C@H]1C[NH2+]CCN1C(=O)Nc1cc(C(F)(F)F)ccc1Br ZINC000904461086 663835395 /nfs/dbraw/zinc/83/53/95/663835395.db2.gz DOCJGHCYOALHEF-SNVBAGLBSA-N 1 0 396.207 2.920 20 0 GFADRO [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)Nc1ccn(-c3ccc(Br)cc3)n1)C2 ZINC000904485778 663836027 /nfs/dbraw/zinc/83/60/27/663836027.db2.gz YUQDLCQQNXLLCO-LNSITVRQSA-N 1 0 390.285 2.978 20 0 GFADRO COCCOc1ccc(NC(=O)NCC[C@@H]([NH3+])C(C)C)cc1Br ZINC000904550627 663837730 /nfs/dbraw/zinc/83/77/30/663837730.db2.gz HMUMWEDEUPTNDN-CQSZACIVSA-N 1 0 388.306 2.969 20 0 GFADRO COCCOc1ccc(NC(=O)N(C)CC(C)(C)C[NH3+])cc1Br ZINC000904550587 663837739 /nfs/dbraw/zinc/83/77/39/663837739.db2.gz GVNJEHOXRLVILT-UHFFFAOYSA-N 1 0 388.306 2.923 20 0 GFADRO COCCOc1ccc(NC(=O)N[C@H]2CC[NH2+]C[C@@H]2C)cc1Br ZINC000904550431 663837767 /nfs/dbraw/zinc/83/77/67/663837767.db2.gz FKXPCMYKOYMRPX-FZMZJTMJSA-N 1 0 386.290 2.594 20 0 GFADRO COc1cc(Br)c(Cc2noc(CC(C)(C)C[NH3+])n2)cc1OC ZINC000904661766 663839501 /nfs/dbraw/zinc/83/95/01/663839501.db2.gz UETNSCJMGGQAER-UHFFFAOYSA-N 1 0 384.274 2.968 20 0 GFADRO C[C@H](c1noc([C@H]2CCCN(CC[NH3+])C2=O)n1)c1ccc(Br)cc1 ZINC000904679255 663840412 /nfs/dbraw/zinc/84/04/12/663840412.db2.gz ZRMGWTMYXNPNNT-SMDDNHRTSA-N 1 0 393.285 2.649 20 0 GFADRO CC(C)(C[NH3+])Cc1nc(-c2ccc3ncc(I)n3c2)no1 ZINC000904700199 663841501 /nfs/dbraw/zinc/84/15/01/663841501.db2.gz MYXNKAAAVNYWBB-UHFFFAOYSA-N 1 0 397.220 2.516 20 0 GFADRO CS(=O)(=O)c1ccc(-c2noc([C@@]3(c4ccccc4)C[C@H]([NH3+])C3)n2)s1 ZINC000904731465 663842756 /nfs/dbraw/zinc/84/27/56/663842756.db2.gz BPSKEOITXIFYAP-QASKLWRZSA-N 1 0 375.475 2.609 20 0 GFADRO OCC1(C[C@@H](O)C[NH2+][C@@H]2CCN(c3cccc(Br)c3)C2)CCCC1 ZINC000905237352 663861600 /nfs/dbraw/zinc/86/16/00/663861600.db2.gz JJAZQLOJDCXHHG-SJLPKXTDSA-N 1 0 397.357 2.921 20 0 GFADRO Cc1cc(S(N)(=O)=O)ccc1C[NH2+]C[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC000905238103 663861683 /nfs/dbraw/zinc/86/16/83/663861683.db2.gz NUVBFFVYMGPZLR-INIZCTEOSA-N 1 0 389.304 2.772 20 0 GFADRO O=S(=O)(CC1CC[NH2+]CC1)N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000905342056 663866388 /nfs/dbraw/zinc/86/63/88/663866388.db2.gz DJCFEIKMYSICSC-LBPRGKRZSA-N 1 0 397.488 2.671 20 0 GFADRO O=S(=O)(CC1CC[NH2+]CC1)N1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000905342510 663866483 /nfs/dbraw/zinc/86/64/83/663866483.db2.gz IDHAIFKTNZRSBW-OAHLLOKOSA-N 1 0 383.583 2.531 20 0 GFADRO CC1(C)C[NH2+][C@H]1C1CCN(S(=O)(=O)c2ccccc2Br)CC1 ZINC000905359915 663867548 /nfs/dbraw/zinc/86/75/48/663867548.db2.gz QFVJYRWVVPRGON-HNNXBMFYSA-N 1 0 387.343 2.848 20 0 GFADRO O[C@@H](C[NH2+]C[C@@H](O)c1cccc(Br)c1)C[C@H](O)c1ccccc1 ZINC000905369862 663867949 /nfs/dbraw/zinc/86/79/49/663867949.db2.gz DBHLIHPCYVOVAD-FGTMMUONSA-N 1 0 380.282 2.557 20 0 GFADRO O[C@H](C[NH2+][C@@H]1CCCCc2cc(Br)ccc21)C[C@]1(O)CCOC1 ZINC000905385137 663868828 /nfs/dbraw/zinc/86/88/28/663868828.db2.gz XFMAJBQEQFIPFO-CGTJXYLNSA-N 1 0 384.314 2.709 20 0 GFADRO O[C@H](C[NH2+]Cc1cc2cc(Br)ccc2o1)COC1CCOCC1 ZINC000905417194 663870542 /nfs/dbraw/zinc/87/05/42/663870542.db2.gz GZGLZQGZCACRMF-CQSZACIVSA-N 1 0 384.270 2.841 20 0 GFADRO O[C@H](C[NH2+]Cc1ccc2ccc(Br)cc2c1)C[C@]1(O)CCOC1 ZINC000905419264 663870779 /nfs/dbraw/zinc/87/07/79/663870779.db2.gz UQDLQWXLYFTQGD-ZWKOTPCHSA-N 1 0 380.282 2.594 20 0 GFADRO O[C@@H](C[NH2+]Cc1ccc2ccc(Br)cc2c1)C[C@]1(O)CCOC1 ZINC000905419262 663870849 /nfs/dbraw/zinc/87/08/49/663870849.db2.gz UQDLQWXLYFTQGD-QZTJIDSGSA-N 1 0 380.282 2.594 20 0 GFADRO O[C@H](C[NH2+]C[C@H](O)C(F)(F)C(F)(F)F)c1cccc(Br)c1 ZINC000905446899 663872012 /nfs/dbraw/zinc/87/20/12/663872012.db2.gz MFCVERFFPMNBAU-ZJUUUORDSA-N 1 0 378.135 2.631 20 0 GFADRO COCCOC[C@H](O)C[NH2+]Cc1cc(C(F)(F)F)ccc1Br ZINC000905463936 663872587 /nfs/dbraw/zinc/87/25/87/663872587.db2.gz BHCWHMRHNTVEBM-GFCCVEGCSA-N 1 0 386.208 2.581 20 0 GFADRO C[C@@](O)(C[NH2+][C@@H]1CC[C@@H](O)[C@@H](O)CC1)c1ccc(Br)cc1Cl ZINC000905465698 663872622 /nfs/dbraw/zinc/87/26/22/663872622.db2.gz OESQLCGVKBZVMQ-BQDHKBFISA-N 1 0 392.721 2.564 20 0 GFADRO COC(=O)C1CC2(C1)C[C@H]([NH2+]C[C@@H](O)c1cccc(Br)c1)CCO2 ZINC000905488113 663873905 /nfs/dbraw/zinc/87/39/05/663873905.db2.gz BEACGUJWGLKEIS-WKPSDNRBSA-N 1 0 398.297 2.573 20 0 GFADRO CC(C)(C)OC(=O)N1CCC(F)(F)[C@H](C[NH2+]C[C@](C)(O)C(F)(F)F)C1 ZINC000905493062 663873915 /nfs/dbraw/zinc/87/39/15/663873915.db2.gz QFECHFTXUFJHPW-MFKMUULPSA-N 1 0 376.366 2.782 20 0 GFADRO C[C@@](O)(C[NH2+]C[C@H]1C[C@@H]2COC[C@@H]2O1)c1ccc(Br)cc1Cl ZINC000905573326 663879143 /nfs/dbraw/zinc/87/91/43/663879143.db2.gz VLZZFMSBAZOQRY-CAAGUOMGSA-N 1 0 390.705 2.704 20 0 GFADRO CN(C(=O)CC[NH2+]CC1(n2cc(Br)cn2)CC1)c1ccccc1 ZINC000905588961 663880140 /nfs/dbraw/zinc/88/01/40/663880140.db2.gz ZMOYGZZKLJMMDS-UHFFFAOYSA-N 1 0 377.286 2.777 20 0 GFADRO Cn1nnc2c1C[C@H]([NH2+]C[C@](C)(O)c1ccc(Br)cc1Cl)CC2 ZINC000905631818 663882709 /nfs/dbraw/zinc/88/27/09/663882709.db2.gz BLPWFKBUDPNFTR-BZNIZROVSA-N 1 0 399.720 2.586 20 0 GFADRO COC(=O)[C@H]1C[C@@H]2C[C@H]([NH2+]C[C@@H](O)c3ccc(F)c(Br)c3)[C@@H]2C1 ZINC000905653371 663884054 /nfs/dbraw/zinc/88/40/54/663884054.db2.gz JLYPOTLXZKYWML-ZNZZXWJUSA-N 1 0 386.261 2.799 20 0 GFADRO O[C@H](C[NH2+]C[C@]12C[C@H]1COC21CCC1)COc1cccc(Br)c1 ZINC000905684701 663886032 /nfs/dbraw/zinc/88/60/32/663886032.db2.gz AWBVSBMBILMVHL-YSVLISHTSA-N 1 0 382.298 2.738 20 0 GFADRO Cn1cc([C@]2(C[NH2+]C[C@H](O)c3ccc(F)c(Br)c3)CCCO2)cn1 ZINC000905685088 663886106 /nfs/dbraw/zinc/88/61/06/663886106.db2.gz CMBLXXHNSFGNLD-DLBZAZTESA-N 1 0 398.276 2.651 20 0 GFADRO C[NH+]1CCC(OCC(=O)OCc2cc(Br)cnc2Cl)CC1 ZINC000905727650 663889114 /nfs/dbraw/zinc/88/91/14/663889114.db2.gz LCMPTYVQAHTOSY-UHFFFAOYSA-N 1 0 377.666 2.652 20 0 GFADRO NC(=O)[C@H]([NH2+]C[C@@H]1CC[C@@H](C(F)(F)F)O1)c1cccc(Br)c1 ZINC000905850224 663896539 /nfs/dbraw/zinc/89/65/39/663896539.db2.gz GMEJJOAYDWMTKB-SDDRHHMPSA-N 1 0 381.192 2.675 20 0 GFADRO O=C1[C@H]([NH2+][C@H]2CCOc3ccc(Br)cc32)CCN1C1CCOCC1 ZINC000905852678 663896800 /nfs/dbraw/zinc/89/68/00/663896800.db2.gz MSLVHXZTQGAYGL-JKSUJKDBSA-N 1 0 395.297 2.642 20 0 GFADRO CC(C)n1cc(Br)c(C(=O)NCC2([NH+]3CCCC3)CCOCC2)n1 ZINC000906581548 663959550 /nfs/dbraw/zinc/95/95/50/663959550.db2.gz KYMGVVKONPZLSK-UHFFFAOYSA-N 1 0 399.333 2.601 20 0 GFADRO Cc1cc(C(=O)NC[C@H]2CCC[NH2+]C2)nn1-c1ccccc1Br ZINC000906635024 663961983 /nfs/dbraw/zinc/96/19/83/663961983.db2.gz UMSNWUFVFGTSMH-ZDUSSCGKSA-N 1 0 377.286 2.673 20 0 GFADRO C[NH+](C)CCC1CCN(C(=O)c2cccn3ncc(Br)c23)CC1 ZINC000906678001 663964778 /nfs/dbraw/zinc/96/47/78/663964778.db2.gz CHDHJGRYNUDGTK-UHFFFAOYSA-N 1 0 379.302 2.901 20 0 GFADRO O=C(Cc1cc(Br)ccc1Cl)NCCC[NH+]1CCC(O)CC1 ZINC000906737294 663967582 /nfs/dbraw/zinc/96/75/82/663967582.db2.gz CFZQADOAWUDQFE-UHFFFAOYSA-N 1 0 389.721 2.608 20 0 GFADRO [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(=O)Nc1cc(C(F)(F)F)ccc1Cl)C2 ZINC000906755735 663968583 /nfs/dbraw/zinc/96/85/83/663968583.db2.gz PUQGDNXXTAHVLO-GDPRMGEGSA-N 1 0 375.778 2.636 20 0 GFADRO O=C(Nc1cc(C(F)(F)F)ccc1Cl)C(=O)N1CCC[C@]12CC[NH2+]C2 ZINC000906755353 663968607 /nfs/dbraw/zinc/96/86/07/663968607.db2.gz BLADWOUUOFHHJZ-OAHLLOKOSA-N 1 0 375.778 2.652 20 0 GFADRO C[NH+](C)[C@@]1(CNC(=O)c2cnc(NC(=O)OC(C)(C)C)s2)CCSC1 ZINC000906903895 663980760 /nfs/dbraw/zinc/98/07/60/663980760.db2.gz YPIQIJVUEXEULZ-MRXNPFEDSA-N 1 0 386.543 2.657 20 0 GFADRO CCO[C@H](CC[NH+](C)C)CNC(=O)[C@@H](OC)c1ccc(Br)s1 ZINC000906941440 663984775 /nfs/dbraw/zinc/98/47/75/663984775.db2.gz ILEKYAJACLBXSX-RISCZKNCSA-N 1 0 393.347 2.671 20 0 GFADRO O=S(=O)(NC1CC[NH+](C[C@@H]2CCCO2)CC1)c1cc2ccccc2s1 ZINC000906948001 663985374 /nfs/dbraw/zinc/98/53/74/663985374.db2.gz OGPIDXWCRNGGMO-INIZCTEOSA-N 1 0 380.535 2.823 20 0 GFADRO O=S(=O)(/C=C/c1cccc(Cl)c1)NC1CC[NH+](C2CCOCC2)CC1 ZINC000907328898 664023879 /nfs/dbraw/zinc/02/38/79/664023879.db2.gz JCGYWCFZKPRHSW-MDWZMJQESA-N 1 0 384.929 2.874 20 0 GFADRO Cc1ccc(C[N@H+]2CC[C@H](CN(C)S(=O)(=O)C[C@H]3CCCOC3)C2)s1 ZINC000907343332 664025557 /nfs/dbraw/zinc/02/55/57/664025557.db2.gz BJJALRQZBYWPLB-SJORKVTESA-N 1 0 386.583 2.567 20 0 GFADRO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)S(=O)(=O)CC3CCOCC3)C2)s1 ZINC000907345870 664025785 /nfs/dbraw/zinc/02/57/85/664025785.db2.gz KPPSDQBAQNKIPF-KRWDZBQOSA-N 1 0 386.583 2.567 20 0 GFADRO Cc1ccc(C[N@H+]2CC[C@H](CN(C)S(=O)(=O)CC3CCOCC3)C2)s1 ZINC000907345871 664025912 /nfs/dbraw/zinc/02/59/12/664025912.db2.gz KPPSDQBAQNKIPF-QGZVFWFLSA-N 1 0 386.583 2.567 20 0 GFADRO Cc1ccc(C[N@H+]2CC[C@H](CN(C)S(=O)(=O)N3CCCCCC3)C2)s1 ZINC000907347899 664026838 /nfs/dbraw/zinc/02/68/38/664026838.db2.gz WPAGHOHGEKBMIA-QGZVFWFLSA-N 1 0 385.599 2.931 20 0 GFADRO COc1cc(Br)ccc1[C@@H](C)NC(=O)c1ccnn1CC[NH+](C)C ZINC000907655738 664051024 /nfs/dbraw/zinc/05/10/24/664051024.db2.gz PVHZOEQEFCGKCM-GFCCVEGCSA-N 1 0 395.301 2.707 20 0 GFADRO CCN(CCC[NH+](CC)CC)C(=O)c1cc2ncc(Br)cn2n1 ZINC000907664575 664051702 /nfs/dbraw/zinc/05/17/02/664051702.db2.gz RSQXQFMSAOHYDW-UHFFFAOYSA-N 1 0 382.306 2.686 20 0 GFADRO O=C(N[C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O)C12CC[NH+](CC1)C2 ZINC000907674712 664052515 /nfs/dbraw/zinc/05/25/15/664052515.db2.gz APHNRPUQSKJAAD-CQSZACIVSA-N 1 0 382.291 2.701 20 0 GFADRO O=C(N1CCC(Nc2cccc(Br)c2)CC1)C12CC[NH+](CC1)C2 ZINC000907839784 664064888 /nfs/dbraw/zinc/06/48/88/664064888.db2.gz YCRMAIRCGQACBA-UHFFFAOYSA-N 1 0 378.314 2.948 20 0 GFADRO C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)NCC1(c2ccc(Br)s2)CCC1 ZINC000908120544 664084834 /nfs/dbraw/zinc/08/48/34/664084834.db2.gz KCRLOBQTKFAUBT-IAQYHMDHSA-N 1 0 387.343 2.504 20 0 GFADRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1cc(Br)cn(C2CC2)c1=O ZINC000908190076 664090727 /nfs/dbraw/zinc/09/07/27/664090727.db2.gz NVOQYUCTAIDXBK-LRDDRELGSA-N 1 0 394.313 2.645 20 0 GFADRO C[N@@H+]1CCC[C@](O)(CC(=O)N[C@H]2C[C@H](c3ccc(Br)cc3)C2)C1 ZINC000908317226 664098720 /nfs/dbraw/zinc/09/87/20/664098720.db2.gz LZYXSTORLNHTID-ZVZYQTTQSA-N 1 0 381.314 2.658 20 0 GFADRO C[C@H](CNC(=O)c1ccc(Cn2cc(Br)cn2)s1)C[NH+](C)C ZINC000908344811 664100520 /nfs/dbraw/zinc/10/05/20/664100520.db2.gz BMCDLKBXVSZXPM-LLVKDONJSA-N 1 0 385.331 2.683 20 0 GFADRO C[N@@H+]1C[C@H]2CCN(C(=O)c3ccc(Cn4cc(Br)cn4)s3)[C@H]2C1 ZINC000908345257 664101001 /nfs/dbraw/zinc/10/10/01/664101001.db2.gz AELGMCPRXFICEY-RISCZKNCSA-N 1 0 395.326 2.532 20 0 GFADRO C[NH+]1CCC2(CCC(NC(=O)c3nn4c(c3Br)CCC4)CC2)CC1 ZINC000908489254 664110168 /nfs/dbraw/zinc/11/01/68/664110168.db2.gz BIHKCBYQCCZKNC-UHFFFAOYSA-N 1 0 395.345 2.976 20 0 GFADRO CC(C)[NH2+]C1(CO)CCN(C(=O)[C@H](C)c2cccc(Br)c2)CC1 ZINC000908610484 664117792 /nfs/dbraw/zinc/11/77/92/664117792.db2.gz ZJHSDXBETDLRAX-CQSZACIVSA-N 1 0 383.330 2.904 20 0 GFADRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)c1ccc(Cn2cc(Br)cn2)s1 ZINC000911200377 664238301 /nfs/dbraw/zinc/23/83/01/664238301.db2.gz HLGIZYNSTYJAHJ-ZDUSSCGKSA-N 1 0 397.342 2.922 20 0 GFADRO O=C(NCc1cc(Cl)cc(I)c1)C12CC[NH+](CC1)C2 ZINC000911278500 664241999 /nfs/dbraw/zinc/24/19/99/664241999.db2.gz DEUMDIVEMDYMRD-UHFFFAOYSA-N 1 0 390.652 2.657 20 0 GFADRO C[NH+](C)CCCNC(=S)Nc1ccc(N2CCc3sccc3C2)nc1 ZINC000911608664 664250400 /nfs/dbraw/zinc/25/04/00/664250400.db2.gz CCACUKZMBBIOSD-UHFFFAOYSA-N 1 0 375.567 2.944 20 0 GFADRO Cc1cc(C(=O)N2CC[C@@H]([NH3+])[C@H](C)C2)nn1-c1ccccc1Br ZINC000911820105 664257276 /nfs/dbraw/zinc/25/72/76/664257276.db2.gz FTBXIPYEXLNVSJ-BXUZGUMPSA-N 1 0 377.286 2.753 20 0 GFADRO C[C@@H]1CCCN(C(=O)c2cc(Br)cnc2Br)[C@H]1C[NH3+] ZINC000911826966 664257596 /nfs/dbraw/zinc/25/75/96/664257596.db2.gz TWYXOQPEYZQGGH-KCJUWKMLSA-N 1 0 391.107 2.806 20 0 GFADRO C[NH+]1CCC(N(CCO)C(=O)c2cc3cc(Br)sc3[nH]2)CC1 ZINC000911936707 664262427 /nfs/dbraw/zinc/26/24/27/664262427.db2.gz NBMZUFDIYJMKHM-UHFFFAOYSA-N 1 0 386.315 2.521 20 0 GFADRO C[NH+]1CCC(N(CCO)C(=O)CCCc2ccccc2Br)CC1 ZINC000911940561 664262809 /nfs/dbraw/zinc/26/28/09/664262809.db2.gz QURNFBIGVLKLPP-UHFFFAOYSA-N 1 0 383.330 2.687 20 0 GFADRO Cc1sc(NC(=O)[C@]2(C)C[C@@H](O)C[NH2+]2)nc1-c1ccc(Br)cc1 ZINC000912002069 664265696 /nfs/dbraw/zinc/26/56/96/664265696.db2.gz KENOSOAUEXPODI-WBMJQRKESA-N 1 0 396.310 2.932 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)[C@@H]1CC[NH2+][C@H](C)C1 ZINC000912039927 664267802 /nfs/dbraw/zinc/26/78/02/664267802.db2.gz IPJGONZOMHMGCW-CHWSQXEVSA-N 1 0 382.302 2.543 20 0 GFADRO CCN(C(=O)c1cc(Br)cn(CC[NH3+])c1=O)c1ccc(C)cc1 ZINC000912256782 664278437 /nfs/dbraw/zinc/27/84/37/664278437.db2.gz ZJRIVVQSCIWLMA-UHFFFAOYSA-N 1 0 378.270 2.545 20 0 GFADRO Cc1cc(Br)c(CC(=O)N2CCC([NH+]3CCOCC3)CC2)s1 ZINC000912538162 664292715 /nfs/dbraw/zinc/29/27/15/664292715.db2.gz QEWHWKOGCZLVJU-UHFFFAOYSA-N 1 0 387.343 2.685 20 0 GFADRO CC(C)C[NH2+]C1(CO)CCN(C(=O)c2ccc(Br)c(F)c2)CC1 ZINC000912592140 664294200 /nfs/dbraw/zinc/29/42/00/664294200.db2.gz WTIMOPLGOUCYNM-UHFFFAOYSA-N 1 0 387.293 2.801 20 0 GFADRO C[NH+](C)[C@@H]1C[C@@H](NC(=O)c2cc(Br)cn(C3CC3)c2=O)C12CCC2 ZINC000912603614 664294363 /nfs/dbraw/zinc/29/43/63/664294363.db2.gz VQYIIDXAYZPKSY-HUUCEWRRSA-N 1 0 394.313 2.548 20 0 GFADRO C[NH+](C)CCn1nccc1C(=O)N1CC[C@@H]1c1ccc(Br)cc1 ZINC000912708545 664298956 /nfs/dbraw/zinc/29/89/56/664298956.db2.gz RWGKWOQPEXPSOI-OAHLLOKOSA-N 1 0 377.286 2.794 20 0 GFADRO Cc1c(Br)cc(C(=O)N2CCCC[C@@H]2[C@@H](C)C[NH+](C)C)c(=O)n1C ZINC000912805916 664303027 /nfs/dbraw/zinc/30/30/27/664303027.db2.gz BVQBNKJGOKNJLS-BLLLJJGKSA-N 1 0 398.345 2.649 20 0 GFADRO C[C@@H](C[NH+](C)C)[C@@H]1CCCCN1C(=O)c1nn2c(c1Br)CCC2 ZINC000912802843 664303036 /nfs/dbraw/zinc/30/30/36/664303036.db2.gz HJRUSNWAFWVOEW-STQMWFEESA-N 1 0 383.334 2.784 20 0 GFADRO COCC[C@@H](Cc1cccc(Br)c1)C(=O)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000912917208 664309924 /nfs/dbraw/zinc/30/99/24/664309924.db2.gz WOGJOLGKBUGVJX-FUHWJXTLSA-N 1 0 395.341 2.951 20 0 GFADRO COc1nsc(CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)c1Br ZINC000912944806 664311466 /nfs/dbraw/zinc/31/14/66/664311466.db2.gz IVVVWFAQIPBCSQ-LLVKDONJSA-N 1 0 388.331 2.937 20 0 GFADRO C[NH+]1C[C@@]2(C)CN(C(=O)c3c[nH]c4ncc(Br)cc34)C[C@]2(C)C1 ZINC000913279679 664331094 /nfs/dbraw/zinc/33/10/94/664331094.db2.gz VGVQGLQZDHHGFJ-IRXDYDNUSA-N 1 0 377.286 2.739 20 0 GFADRO C[NH+](C)CC1(O)CCN(C(=O)c2cc3cc(Br)sc3[nH]2)CC1 ZINC000913680995 664349565 /nfs/dbraw/zinc/34/95/65/664349565.db2.gz LYQVCGVIZKISOG-UHFFFAOYSA-N 1 0 386.315 2.521 20 0 GFADRO O=C(NCCC[NH+]1CCCCC1)N1CCC[C@H]1c1ncc(Br)cn1 ZINC000913936209 664367077 /nfs/dbraw/zinc/36/70/77/664367077.db2.gz IUVVCRBWKGMFSO-HNNXBMFYSA-N 1 0 396.333 2.962 20 0 GFADRO O=S(=O)(Cc1cccc(F)c1Br)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000913934828 664367088 /nfs/dbraw/zinc/36/70/88/664367088.db2.gz TUPHLTWUIUPZCZ-QWHCGFSZSA-N 1 0 391.306 2.634 20 0 GFADRO COc1c(F)cc(S(=O)(=O)N(CC(C)C)C2CC[NH+](C)CC2)cc1F ZINC000913958650 664368829 /nfs/dbraw/zinc/36/88/29/664368829.db2.gz QPTZRKNFNXOKLY-UHFFFAOYSA-N 1 0 376.469 2.714 20 0 GFADRO O=C(NCc1coc(-c2cccs2)n1)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000913971315 664369602 /nfs/dbraw/zinc/36/96/02/664369602.db2.gz CCBSUEVBHWNDKY-KBPBESRZSA-N 1 0 378.523 2.782 20 0 GFADRO C[C@H]1CCC[N@H+](CCNC(=O)N2CCC[C@@H]2c2ncc(Br)cn2)C1 ZINC000914076021 664374672 /nfs/dbraw/zinc/37/46/72/664374672.db2.gz OAJIBXBFHHEMQU-DZGCQCFKSA-N 1 0 396.333 2.818 20 0 GFADRO CC[NH+](CC)C[C@H](C)NC(=O)NC1(c2ncc(Br)cn2)CCC1 ZINC000914412487 664408028 /nfs/dbraw/zinc/40/80/28/664408028.db2.gz ZRGYRIYPLDAPCH-LBPRGKRZSA-N 1 0 384.322 2.648 20 0 GFADRO CC(C)CN(Cn1ncc(Br)c(Br)c1=O)C1CC1 ZINC000914566621 664411730 /nfs/dbraw/zinc/41/17/30/664411730.db2.gz FVXJULCDXVPCEC-UHFFFAOYSA-N 1 0 379.096 2.846 20 0 GFADRO C[NH+](C)CCNC(=O)c1ccc(NC(=O)c2cc(Cl)nc(Cl)c2)cc1 ZINC000915072515 664420550 /nfs/dbraw/zinc/42/05/50/664420550.db2.gz OYGNPPQFZPLWLD-UHFFFAOYSA-N 1 0 381.263 2.932 20 0 GFADRO C[C@@H](CC[NH+](C)C)NC(=O)N1CCCC[C@@H]1c1ncc(Br)cn1 ZINC000915152556 664422133 /nfs/dbraw/zinc/42/21/33/664422133.db2.gz DKRWRINEOMJBDQ-GXTWGEPZSA-N 1 0 384.322 2.816 20 0 GFADRO CC(C)C[C@@H](CNC(=O)/C=C/c1ccc(I)o1)[NH+](C)C ZINC000915267920 664426142 /nfs/dbraw/zinc/42/61/42/664426142.db2.gz OUEGMMVCAJSGBA-WMADIVHISA-N 1 0 390.265 2.990 20 0 GFADRO O=C(NC1CC[NH+](C[C@H]2CCCO2)CC1)c1ccc(Br)cc1F ZINC000915620983 664435647 /nfs/dbraw/zinc/43/56/47/664435647.db2.gz GLJWEROHAFTSQB-CQSZACIVSA-N 1 0 385.277 2.961 20 0 GFADRO C[C@H]1CCC[N@H+](CCNC(=O)/C=C\c2ccc(I)o2)C1 ZINC000915627462 664435928 /nfs/dbraw/zinc/43/59/28/664435928.db2.gz JIYPLVVWPAVXAG-HWPRWLFBSA-N 1 0 388.249 2.746 20 0 GFADRO CS(=O)(=O)Cc1ccc(C[NH2+]C[C@@H](O)c2cccc(Br)c2)cc1 ZINC000917016660 664475221 /nfs/dbraw/zinc/47/52/21/664475221.db2.gz GRXIDQDIQOXULP-QGZVFWFLSA-N 1 0 398.322 2.817 20 0 GFADRO Cc1cc(Br)ccc1CNC(=O)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000917864943 664491415 /nfs/dbraw/zinc/49/14/15/664491415.db2.gz FHUXVMFZFMSCTJ-QGZVFWFLSA-N 1 0 396.329 2.810 20 0 GFADRO C[C@H](NC(=O)c1ccc(Br)s1)C(=O)OCC[NH+]1CCCCC1 ZINC000919521757 664513799 /nfs/dbraw/zinc/51/37/99/664513799.db2.gz VFFBKZQEKHMGQG-NSHDSACASA-N 1 0 389.315 2.658 20 0 GFADRO C[NH+](C)CCCOC(=O)CCCOc1ccc(I)cc1 ZINC000919973396 664520514 /nfs/dbraw/zinc/52/05/14/664520514.db2.gz YRSVXXSHGCYGRI-UHFFFAOYSA-N 1 0 391.249 2.945 20 0 GFADRO O=C(NCCc1nc(C(F)(F)F)cs1)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000920936373 664534680 /nfs/dbraw/zinc/53/46/80/664534680.db2.gz HVYCYASEHJRNED-MNOVXSKESA-N 1 0 394.488 2.583 20 0 GFADRO COc1ccc(Cl)cc1S(=O)(=O)N[C@@H](CC[NH+](C)C)c1cccnc1 ZINC000921480887 664550131 /nfs/dbraw/zinc/55/01/31/664550131.db2.gz VKQQSXLBWFRWKO-HNNXBMFYSA-N 1 0 383.901 2.715 20 0 GFADRO Cc1nn(C)c(C[NH2+]C[C@@H](O)COc2cccc(C(F)(F)F)c2)c1Cl ZINC000921591546 664556531 /nfs/dbraw/zinc/55/65/31/664556531.db2.gz VTKCGLTZUUUCRR-GFCCVEGCSA-N 1 0 377.794 2.930 20 0 GFADRO Cc1nc(C[NH2+]CCCNC(=O)c2cccc(O)c2)sc1Br ZINC000921647265 664559136 /nfs/dbraw/zinc/55/91/36/664559136.db2.gz BPOOWJUCJDNNBG-UHFFFAOYSA-N 1 0 384.299 2.829 20 0 GFADRO O=C(c1ccccc1)N1CCC(C[NH2+]Cc2nc(Br)c[nH]2)CC1 ZINC000921766100 664567004 /nfs/dbraw/zinc/56/70/04/664567004.db2.gz IFICOYMDGRCNMI-UHFFFAOYSA-N 1 0 377.286 2.814 20 0 GFADRO COc1cc(OC)cc(N2CC[C@@H](C[NH2+]Cc3nc(Br)c[nH]3)C2)c1 ZINC000921835376 664571458 /nfs/dbraw/zinc/57/14/58/664571458.db2.gz SVUYGWRPBMCVKN-LBPRGKRZSA-N 1 0 395.301 2.806 20 0 GFADRO CCn1c(C[NH2+][C@@H](COC)C2CC2)nc(Br)c1Br ZINC000921922581 664576824 /nfs/dbraw/zinc/57/68/24/664576824.db2.gz SLUPCZVZPWOCJC-VIFPVBQESA-N 1 0 381.112 2.943 20 0 GFADRO Cn1nc2c(c1C[NH2+][C@@H]1CCO[C@H]1c1cncc(Br)c1)CCC2 ZINC000922180325 664589146 /nfs/dbraw/zinc/58/91/46/664589146.db2.gz ALIVLAHXMFRDLC-WBVHZDCISA-N 1 0 377.286 2.686 20 0 GFADRO Cc1cc(C[NH2+][C@H]2CCc3c(nnn3C)C2)c(C)cc1I ZINC000922224495 664590579 /nfs/dbraw/zinc/59/05/79/664590579.db2.gz HXTKSWWABWJMNV-ZDUSSCGKSA-N 1 0 396.276 2.684 20 0 GFADRO CCn1c(C[NH2+]C[C@H](CO)CC2CC2)nc(Br)c1Br ZINC000922250837 664591737 /nfs/dbraw/zinc/59/17/37/664591737.db2.gz SXSHSDWXLYIRJK-SNVBAGLBSA-N 1 0 395.139 2.926 20 0 GFADRO COc1cc(C[NH2+]CC2OCCCO2)cc(Br)c1OC(F)F ZINC000922276639 664592962 /nfs/dbraw/zinc/59/29/62/664592962.db2.gz NRTCLONDDJQOAW-UHFFFAOYSA-N 1 0 382.201 2.912 20 0 GFADRO Cc1nc(C[NH2+]CC2C[C@H]3CC[C@@H](C2)S3(=O)=O)sc1Br ZINC000922324639 664594667 /nfs/dbraw/zinc/59/46/67/664594667.db2.gz YQDGBCIJXNIUHA-FGWVZKOKSA-N 1 0 379.345 2.659 20 0 GFADRO Cc1nc(CN[C@@H]2C[C@@]3(C[N@@H+](C)[C@@H]3C(C)C)C[C@H]2O)sc1Br ZINC000922391232 664598525 /nfs/dbraw/zinc/59/85/25/664598525.db2.gz VBZKQTBJGJGNDL-NCZKRNLISA-N 1 0 388.375 2.783 20 0 GFADRO Cc1nnc([C@@H]2OCC[C@@H]2C[NH2+]Cc2ncc(Br)cc2Cl)[nH]1 ZINC000922408344 664600250 /nfs/dbraw/zinc/60/02/50/664600250.db2.gz NLWXASLFKFWWNI-NOZJJQNGSA-N 1 0 386.681 2.791 20 0 GFADRO COc1ccc(C[NH2+]C[C@@H]2CCO[C@@H]2c2nnc(C)[nH]2)cc1Br ZINC000922409975 664600273 /nfs/dbraw/zinc/60/02/73/664600273.db2.gz IKGJAUMBBVOZSW-WFASDCNBSA-N 1 0 381.274 2.752 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+]C1CC(CC(N)=O)C1 ZINC000922510327 664605034 /nfs/dbraw/zinc/60/50/34/664605034.db2.gz BFTUTHLUFDGJCH-UHFFFAOYSA-N 1 0 377.286 2.687 20 0 GFADRO Brc1ccn2cc(C[NH2+][C@@H]3CCCN4CCSC[C@@H]34)nc2c1 ZINC000922522220 664605549 /nfs/dbraw/zinc/60/55/49/664605549.db2.gz AVOHBTZLOSPVQL-CABCVRRESA-N 1 0 381.343 2.766 20 0 GFADRO Brc1ccc2ncc(C[NH2+]C[C@H]3CCC4(CCOCC4)O3)n2c1 ZINC000922812296 664615314 /nfs/dbraw/zinc/61/53/14/664615314.db2.gz YZXRWADPRCOCFN-OAHLLOKOSA-N 1 0 380.286 2.915 20 0 GFADRO CS(=O)(=O)C[C@H](O)C[NH2+]Cc1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000922827302 664615972 /nfs/dbraw/zinc/61/59/72/664615972.db2.gz PGDFACQXFFDHDN-LLVKDONJSA-N 1 0 378.277 2.749 20 0 GFADRO NS(=O)(=O)c1cc(C[NH2+]CC[C@H]2OCCc3ccccc32)ccc1Cl ZINC000922957756 664619987 /nfs/dbraw/zinc/61/99/87/664619987.db2.gz HJVPMNBSLMPDHT-QGZVFWFLSA-N 1 0 380.897 2.781 20 0 GFADRO Cn1nccc1[C@@H](O)C[NH2+]Cc1cc(Br)cc(Br)c1 ZINC000922970855 664620261 /nfs/dbraw/zinc/62/02/61/664620261.db2.gz TVOXUJQWOXZZDQ-ZDUSSCGKSA-N 1 0 389.091 2.768 20 0 GFADRO CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)NCCC[C@@H]1CC1(Cl)Cl)C2 ZINC000923096257 664622211 /nfs/dbraw/zinc/62/22/11/664622211.db2.gz ZZTAUZDQGXFBNI-NPCUJANDSA-N 1 0 392.371 2.739 20 0 GFADRO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)c1ccc2cncc(Br)c2n1 ZINC000923314593 664628120 /nfs/dbraw/zinc/62/81/20/664628120.db2.gz WNFSOSARBVPWAV-QWHCGFSZSA-N 1 0 375.270 2.701 20 0 GFADRO C[C@@H]1[C@H](C)[NH2+]CCN1C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000923346642 664628819 /nfs/dbraw/zinc/62/88/19/664628819.db2.gz UGPFFPQMTXVMTI-DMDPSCGWSA-N 1 0 377.710 2.524 20 0 GFADRO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NC(=O)NCC[C@H]3CC3(Cl)Cl)C2)[C@H]1C(C)C ZINC000923371738 664629123 /nfs/dbraw/zinc/62/91/23/664629123.db2.gz ZTGPUXVANZRXFW-GHYKFQNRSA-N 1 0 392.371 2.739 20 0 GFADRO Clc1cnccc1CN1CC[NH2+]CCN(Cc2ccncc2Cl)CC1 ZINC000923396667 664629690 /nfs/dbraw/zinc/62/96/90/664629690.db2.gz WLCNCKMHCZGPOW-UHFFFAOYSA-N 1 0 380.323 2.691 20 0 GFADRO O=C(NCc1csc(C(F)(F)F)c1)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000923463843 664631017 /nfs/dbraw/zinc/63/10/17/664631017.db2.gz IAJPAIDJJFKGAC-ZDUSSCGKSA-N 1 0 377.432 2.819 20 0 GFADRO CC1([NH+]2CCCCC2)CCN(C(=O)NCc2cnc(Br)cn2)CC1 ZINC000923547993 664633797 /nfs/dbraw/zinc/63/37/97/664633797.db2.gz LNYHAXIINXOWQS-UHFFFAOYSA-N 1 0 396.333 2.789 20 0 GFADRO O=S(=O)(c1cnc(-c2ccccc2)s1)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000923635821 664634908 /nfs/dbraw/zinc/63/49/08/664634908.db2.gz HWGZPBHZONQFHU-MRXNPFEDSA-N 1 0 377.535 2.963 20 0 GFADRO [NH3+]C[C@H]1Cc2cc(F)ccc2N(S(=O)(=O)c2occc2Br)C1 ZINC000923678244 664635480 /nfs/dbraw/zinc/63/54/80/664635480.db2.gz VHZRFWQHKLWACJ-SECBINFHSA-N 1 0 389.246 2.508 20 0 GFADRO [NH3+]C[C@@H]1CC2(CO1)CCN(S(=O)(=O)c1ccc(Cl)c(Cl)c1)CC2 ZINC000923687376 664635797 /nfs/dbraw/zinc/63/57/97/664635797.db2.gz WIISLKCDMDTSKA-NSHDSACASA-N 1 0 379.309 2.512 20 0 GFADRO [NH3+]CC[C@H]1Cc2ccccc2N(S(=O)(=O)c2cncc(Br)c2)C1 ZINC000923744979 664637580 /nfs/dbraw/zinc/63/75/80/664637580.db2.gz KORHYOCSSYHOBI-LBPRGKRZSA-N 1 0 396.310 2.561 20 0 GFADRO CC[N@@H+]1CC[C@H]1CNC(=O)N1CCCC[C@H]1c1ncc(Br)cn1 ZINC000924022461 664644607 /nfs/dbraw/zinc/64/46/07/664644607.db2.gz RPGKTOOGHFPUGD-KBPBESRZSA-N 1 0 382.306 2.570 20 0 GFADRO CN(C)Cc1csc(CNC(=O)N(CC[NH+](C)C)Cc2ccsc2)n1 ZINC000924782314 664661796 /nfs/dbraw/zinc/66/17/96/664661796.db2.gz MPJMXFXGVXRGIH-UHFFFAOYSA-N 1 0 381.571 2.540 20 0 GFADRO C[C@@H]([NH2+]CCNS(=O)(=O)c1cccc(Cl)c1)c1cnn(C2CCC2)c1 ZINC000924832555 664662464 /nfs/dbraw/zinc/66/24/64/664662464.db2.gz LAXXXAPMANHVLW-CYBMUJFWSA-N 1 0 382.917 2.891 20 0 GFADRO O=C(COC(=O)c1cc(Cl)sc1Cl)NC1CC[NH+](C2CC2)CC1 ZINC000924839181 664662600 /nfs/dbraw/zinc/66/26/00/664662600.db2.gz VKGOPCAZDGVYQY-UHFFFAOYSA-N 1 0 377.293 2.955 20 0 GFADRO CN1C(=O)N([C@H]2CC[N@@H+](C3CC3)C2)C(=O)[C@@H]1c1cccc(Br)c1 ZINC000924884099 664663655 /nfs/dbraw/zinc/66/36/55/664663655.db2.gz BEZGQJBCAOTCKU-GJZGRUSLSA-N 1 0 378.270 2.621 20 0 GFADRO CN1C(=O)N([C@@H]2CC[N@@H+](C3CC3)C2)C(=O)[C@H]1c1ccc(Br)s1 ZINC000924884639 664663661 /nfs/dbraw/zinc/66/36/61/664663661.db2.gz CVSQIVFOJWFADC-ZWNOBZJWSA-N 1 0 384.299 2.682 20 0 GFADRO C[N@@H+]1C[C@H](O)C[C@H]1CNC(=O)C(C)(C)Sc1ccc(Br)cc1 ZINC000924984144 664664770 /nfs/dbraw/zinc/66/47/70/664664770.db2.gz ODSXOFLXPMMSHS-QWHCGFSZSA-N 1 0 387.343 2.501 20 0 GFADRO C[C@@H]([NH2+]C[C@@H](O)c1ccc(Cl)cc1Cl)C1CCN(S(C)(=O)=O)CC1 ZINC000925030357 664665621 /nfs/dbraw/zinc/66/56/21/664665621.db2.gz WFMIXSMYZSYUBT-BDJLRTHQSA-N 1 0 395.352 2.677 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCN(c2ccccc2C(N)=O)C1)c1cccc(Br)n1 ZINC000925039528 664665832 /nfs/dbraw/zinc/66/58/32/664665832.db2.gz OTYQUFRDMSXCDJ-QWHCGFSZSA-N 1 0 389.297 2.873 20 0 GFADRO O=C(Nc1cc2c(cc1Cl)OCCO2)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000925144569 664667260 /nfs/dbraw/zinc/66/72/60/664667260.db2.gz UVVBVEWIBPUIJN-JSGCOSHPSA-N 1 0 383.901 2.813 20 0 GFADRO CN(Cc1nc2c(s1)CCCC2)C(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000925152194 664667479 /nfs/dbraw/zinc/66/74/79/664667479.db2.gz GQJVUPBBSNABKF-HIFRSBDPSA-N 1 0 380.583 2.743 20 0 GFADRO O=C(N[C@@H]1CCO[C@@H](c2cccs2)C1)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000925171791 664667877 /nfs/dbraw/zinc/66/78/77/664667877.db2.gz LZYAKZCQKIXKTB-KLHDSHLOSA-N 1 0 381.567 2.847 20 0 GFADRO CC[N@@H+]1CCC[C@@H](N2C(=O)CN(Cc3cccc(Br)c3)C2=O)C1 ZINC000925292173 664669957 /nfs/dbraw/zinc/66/99/57/664669957.db2.gz IWUFWVFAIIEMLC-OAHLLOKOSA-N 1 0 380.286 2.698 20 0 GFADRO COCCN(Cc1cc(Br)cs1)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1C ZINC000925331129 664670518 /nfs/dbraw/zinc/67/05/18/664670518.db2.gz CJTUQPNJSPWTGO-RISCZKNCSA-N 1 0 390.347 2.761 20 0 GFADRO CCC[N@@H+]1CC[C@@H](N2C(=O)CN(Cc3cccc(Br)c3)C2=O)C1 ZINC000925350735 664670694 /nfs/dbraw/zinc/67/06/94/664670694.db2.gz ABDJEIZHQXNGTN-OAHLLOKOSA-N 1 0 380.286 2.698 20 0 GFADRO CCC[N@@H+]1CC[C@H](N2C(=O)[C@@H]3Cc4c(Br)cccc4CN3C2=O)C1 ZINC000925357954 664670945 /nfs/dbraw/zinc/67/09/45/664670945.db2.gz IBBHWZGQBPKOSU-BBRMVZONSA-N 1 0 392.297 2.622 20 0 GFADRO C[C@H]([NH2+]CCN(C)S(=O)(=O)c1cccs1)c1ccc(C(C)(C)O)cc1 ZINC000925574504 664673246 /nfs/dbraw/zinc/67/32/46/664673246.db2.gz BPRXHSYIURYHBB-AWEZNQCLSA-N 1 0 382.551 2.947 20 0 GFADRO CCN(CC)S(=O)(=O)c1ccc(CN[C@@H](c2ccccc2)[C@H](C)[NH3+])s1 ZINC000925588394 664673444 /nfs/dbraw/zinc/67/34/44/664673444.db2.gz WNWLINOBSSNBRC-KBXCAEBGSA-N 1 0 381.567 2.957 20 0 GFADRO Cc1ccc([C@@H]([NH2+]C[C@]2(O)CCOC2)c2cncc(Br)c2)cc1 ZINC000925625382 664673729 /nfs/dbraw/zinc/67/37/29/664673729.db2.gz DJNGNGYSOXMZOE-QZTJIDSGSA-N 1 0 377.282 2.983 20 0 GFADRO Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+]CC[C@H]1CNCCS1(=O)=O ZINC000925791312 664674773 /nfs/dbraw/zinc/67/47/73/664674773.db2.gz FGOMTHPLOHLJBC-BBRMVZONSA-N 1 0 379.551 2.546 20 0 GFADRO CCC[C@H]([NH2+]CC[C@H]1CNCCS1(=O)=O)c1cccc(C(F)(F)F)c1 ZINC000925796086 664674824 /nfs/dbraw/zinc/67/48/24/664674824.db2.gz NZRNZSMFGPGDSH-HOTGVXAUSA-N 1 0 378.460 2.913 20 0 GFADRO O=S1(=O)CCNC[C@@H]1CC[NH2+][C@H]1CCCc2cc(SC(F)F)ccc21 ZINC000925796422 664675039 /nfs/dbraw/zinc/67/50/39/664675039.db2.gz OLBQHFOHBPFBDG-HOCLYGCPSA-N 1 0 390.521 2.745 20 0 GFADRO C[C@@H]([NH2+]CC[C@@H]1CNCCS1(=O)=O)c1ccc(-c2ccc(F)cc2)s1 ZINC000925801263 664675045 /nfs/dbraw/zinc/67/50/45/664675045.db2.gz XKTIXTYRABFLQR-CZUORRHYSA-N 1 0 382.526 2.982 20 0 GFADRO CC(C)[C@@H]([NH2+]CC[C@H]1CNCCS1(=O)=O)c1cccc(C(F)(F)F)c1 ZINC000925801414 664675081 /nfs/dbraw/zinc/67/50/81/664675081.db2.gz WUFBODXXQZOWCT-JKSUJKDBSA-N 1 0 378.460 2.769 20 0 GFADRO [NH3+][C@@]1(CO)CCCN(C(=O)Nc2ccc(Br)c(C(F)(F)F)c2)C1 ZINC000925903305 664677288 /nfs/dbraw/zinc/67/72/88/664677288.db2.gz UEELQKKPGRKZPW-ZDUSSCGKSA-N 1 0 396.207 2.785 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)NC[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925954395 664678082 /nfs/dbraw/zinc/67/80/82/664678082.db2.gz NJLRGGLNTLLPAA-ZDUSSCGKSA-N 1 0 396.285 2.564 20 0 GFADRO CC1(C)CN(C(=O)Nc2cc(Br)ccc2-n2cccn2)C[C@H]1[NH3+] ZINC000926025710 664679218 /nfs/dbraw/zinc/67/92/18/664679218.db2.gz QTGYUBDFTNPTEH-CQSZACIVSA-N 1 0 378.274 2.836 20 0 GFADRO [NH3+]C[C@@H]1CC2(CO1)CCN(C(=O)Nc1ccc(F)c(Br)c1)CC2 ZINC000926046174 664679952 /nfs/dbraw/zinc/67/99/52/664679952.db2.gz LMWQORZJKJBTMJ-LBPRGKRZSA-N 1 0 386.265 2.950 20 0 GFADRO CC1(C)CN(C(=O)Nc2ccc(F)cc2I)C[C@@H]1[NH3+] ZINC000926053455 664680020 /nfs/dbraw/zinc/68/00/20/664680020.db2.gz BTUXQROLRAEJGI-NSHDSACASA-N 1 0 377.201 2.631 20 0 GFADRO COC(=O)c1c(C)c(NC(=O)N2C[C@@H]([NH3+])C(C)(C)C2)ccc1Br ZINC000926104433 664681833 /nfs/dbraw/zinc/68/18/33/664681833.db2.gz KIHJKVSZPVHUQJ-GFCCVEGCSA-N 1 0 384.274 2.745 20 0 GFADRO COC(=O)c1cc(NC(=O)N2CC[C@H](C[NH3+])[C@H](C)C2)c(C)cc1Br ZINC000926114629 664682161 /nfs/dbraw/zinc/68/21/61/664682161.db2.gz FKJSRTHHYMKDCG-VXGBXAGGSA-N 1 0 398.301 2.993 20 0 GFADRO Cc1cnc(Br)c(NC(=O)N2CC[C@H](C(F)(F)F)[C@H]([NH3+])C2)c1 ZINC000926123452 664682179 /nfs/dbraw/zinc/68/21/79/664682179.db2.gz OLAMYQDRXIXISQ-DTWKUNHWSA-N 1 0 381.196 2.896 20 0 GFADRO Cc1cnc(Br)c(NC(=O)N2CC[C@H](C(F)(F)F)[C@@H]([NH3+])C2)c1 ZINC000926123453 664682244 /nfs/dbraw/zinc/68/22/44/664682244.db2.gz OLAMYQDRXIXISQ-IUCAKERBSA-N 1 0 381.196 2.896 20 0 GFADRO CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)c1nc(Cl)sc1Cl)C2 ZINC000926146333 664682905 /nfs/dbraw/zinc/68/29/05/664682905.db2.gz FXQOKJKQCCTBGP-VKQTUNLWSA-N 1 0 378.325 2.659 20 0 GFADRO CCON1CCC([NH2+]CCc2cn3cc(Br)cc(C)c3n2)CC1 ZINC000926150702 664683116 /nfs/dbraw/zinc/68/31/16/664683116.db2.gz NDKZYSDXNVTMJB-UHFFFAOYSA-N 1 0 381.318 2.953 20 0 GFADRO Cc1ccc(Br)cc1C(=O)N[C@@H]1C[C@]2(C[N@@H+](C)[C@H]2C(C)C)C[C@H]1O ZINC000926167109 664683602 /nfs/dbraw/zinc/68/36/02/664683602.db2.gz AJMWFAAGIDAHBS-VXIBKDFQSA-N 1 0 395.341 2.967 20 0 GFADRO CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NC(=O)Cc1cccc(Br)c1)C2 ZINC000926177075 664684065 /nfs/dbraw/zinc/68/40/65/664684065.db2.gz DNYZOOMYQZVPQH-PSBWJHGTSA-N 1 0 395.341 2.588 20 0 GFADRO C[NH2+]C[C@@H]1CCN(C(=O)Nc2ccc(I)c(C)c2C)C1 ZINC000926203856 664684833 /nfs/dbraw/zinc/68/48/33/664684833.db2.gz SSNDWYWBHYCXKK-LBPRGKRZSA-N 1 0 387.265 2.981 20 0 GFADRO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NC(=O)c3ccnc(Cl)c3Cl)C2)[C@@H]1C(C)C ZINC000926264054 664685894 /nfs/dbraw/zinc/68/58/94/664685894.db2.gz BCDDXXKFGHEICE-ONUSSAAZSA-N 1 0 386.323 2.988 20 0 GFADRO [NH3+]CC[C@@H]1CCN(C(=O)C(=O)N(Cc2cccs2)Cc2cccs2)C1 ZINC000926287474 664686526 /nfs/dbraw/zinc/68/65/26/664686526.db2.gz CQGNOZXLIOIPON-CQSZACIVSA-N 1 0 377.535 2.536 20 0 GFADRO C[C@H]1COC[C@@H](C)[C@@H]1[NH2+]CCNS(=O)(=O)c1cccc(Cl)c1Cl ZINC000926410056 664689619 /nfs/dbraw/zinc/68/96/19/664689619.db2.gz NFWSEPKNEKFQCH-HBYGRHMLSA-N 1 0 381.325 2.532 20 0 GFADRO O=S(=O)(c1ccccc1)N1CC[C@H]([NH2+][C@@H]2CCc3c2nccc3Cl)C1 ZINC000926428593 664689911 /nfs/dbraw/zinc/68/99/11/664689911.db2.gz CODSXHVNJVFONI-SUMWQHHRSA-N 1 0 377.897 2.775 20 0 GFADRO Cc1cc(C[C@H]2CCC[C@H]2[NH2+]CCn2cc(Br)ccc2=O)n(C)n1 ZINC000926503090 664690825 /nfs/dbraw/zinc/69/08/25/664690825.db2.gz SISQJBNCVFPJPB-RHSMWYFYSA-N 1 0 393.329 2.654 20 0 GFADRO COc1ccc(Br)cc1C[C@H](CO)C[NH2+][C@@H]1[C@@H](C)COC[C@H]1C ZINC000926544325 664692146 /nfs/dbraw/zinc/69/21/46/664692146.db2.gz YWPMTXRAJQLPLF-MOROJQBDSA-N 1 0 386.330 2.869 20 0 GFADRO C[C@@H]1C[C@H]([NH2+]C[C@H](CO)Cc2cc(Br)ccc2F)c2ncnn21 ZINC000926543452 664692174 /nfs/dbraw/zinc/69/21/74/664692174.db2.gz ZEIRTOMVZYZESF-HFAKWTLXSA-N 1 0 383.265 2.626 20 0 GFADRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]CC[S@@](=O)CC(F)(F)F)C12CCC2 ZINC000926685611 664695273 /nfs/dbraw/zinc/69/52/73/664695273.db2.gz YLKRKALLBHYVNW-UOXLDJKESA-N 1 0 384.464 2.819 20 0 GFADRO C[C@@H]([NH2+][C@@H](CCO)c1ccc(Cl)c(F)c1)C1CCN(S(C)(=O)=O)CC1 ZINC000926779708 664696496 /nfs/dbraw/zinc/69/64/96/664696496.db2.gz ILQFWWXMNYJNEH-PXAZEXFGSA-N 1 0 392.924 2.552 20 0 GFADRO C[C@@H]([NH2+]CC1C[C@H]2CC[C@@H](C1)S2(=O)=O)c1nc(Br)ccc1F ZINC000926829829 664697442 /nfs/dbraw/zinc/69/74/42/664697442.db2.gz QISGWIJROXFPMQ-WAAKLRNESA-N 1 0 391.306 2.990 20 0 GFADRO O=C(NC[C@H]1CC[N@@H+]1C1CCOCC1)Nc1ccc(F)cc1Br ZINC000927644818 664713424 /nfs/dbraw/zinc/71/34/24/664713424.db2.gz LIMHONBJPVVDPP-CYBMUJFWSA-N 1 0 386.265 2.963 20 0 GFADRO CN(C)c1cc[nH+]c(CNC(=O)[C@H]2Cc3cc(Br)ccc3O2)c1 ZINC000927699588 664714230 /nfs/dbraw/zinc/71/42/30/664714230.db2.gz YGOKTLMDPKTMBH-MRXNPFEDSA-N 1 0 376.254 2.530 20 0 GFADRO CCN(CC[NH3+])C(=O)C(=O)Nc1cc(Br)cc(C(F)(F)F)c1C ZINC000927805549 664716158 /nfs/dbraw/zinc/71/61/58/664716158.db2.gz GDTWOPMGQOYIJO-UHFFFAOYSA-N 1 0 396.207 2.522 20 0 GFADRO [NH3+][C@@H]1CN(C(=O)C(=O)Nc2cc(Cl)ccc2Cl)CC[C@H]1C(F)(F)F ZINC000927849152 664716772 /nfs/dbraw/zinc/71/67/72/664716772.db2.gz YFVGFABMAJDVEP-PSASIEDQSA-N 1 0 384.185 2.670 20 0 GFADRO Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000928081528 664722044 /nfs/dbraw/zinc/72/20/44/664722044.db2.gz OSFGVPCFTRZMMY-GHMZBOCLSA-N 1 0 396.866 2.560 20 0 GFADRO C[C@@H]1[C@@H](NC(=O)C2(c3ccc(Br)cc3)CCOCC2)CC[N@@H+]1C ZINC000928447105 664732820 /nfs/dbraw/zinc/73/28/20/664732820.db2.gz HOOIDWQICPONEM-CJNGLKHVSA-N 1 0 381.314 2.706 20 0 GFADRO C[NH+](C)CC[C@@H](NC(=O)c1cc(Br)cnc1F)c1cccnc1 ZINC000928829382 664740544 /nfs/dbraw/zinc/74/05/44/664740544.db2.gz KCORQJHEGOASCW-CQSZACIVSA-N 1 0 381.249 2.801 20 0 GFADRO CN(C(=O)c1cnn(Cc2ccccc2)c1Br)C1CC[NH+](C)CC1 ZINC000929120193 664746712 /nfs/dbraw/zinc/74/67/12/664746712.db2.gz VAVKIXBEBOFATR-UHFFFAOYSA-N 1 0 391.313 2.860 20 0 GFADRO C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)C[C@@H]1CCC[C@H](C(F)(F)F)O1 ZINC000929227411 664748582 /nfs/dbraw/zinc/74/85/82/664748582.db2.gz FTGXWJKAMZVHBK-OSAQELSMSA-N 1 0 380.432 2.827 20 0 GFADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1ncc(Br)cn1 ZINC000929348064 664750915 /nfs/dbraw/zinc/75/09/15/664750915.db2.gz NAVOXZWTLNWMGH-UHFFFAOYSA-N 1 0 390.285 2.552 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)c1cc(=O)[nH]cc1Br)c1cccc(F)c1 ZINC000929466243 664752976 /nfs/dbraw/zinc/75/29/76/664752976.db2.gz BBGJIJREQAIAHT-AWEZNQCLSA-N 1 0 382.233 2.722 20 0 GFADRO C[C@@H]1C[NH+](CCCNC(=O)c2ncc(C(F)(F)F)cc2Cl)C[C@@H](C)O1 ZINC000929630313 664755193 /nfs/dbraw/zinc/75/51/93/664755193.db2.gz CXTMEHIIKQUINV-GHMZBOCLSA-N 1 0 379.810 2.983 20 0 GFADRO CS(=O)(=O)N(CC(F)(F)F)C1CC[NH+](C[C@H]2C[C@@H]3[C@H](C2)C3(F)F)CC1 ZINC000929632304 664755280 /nfs/dbraw/zinc/75/52/80/664755280.db2.gz MWORPQCVIPHTCG-LMKPVCQUSA-N 1 0 390.418 2.566 20 0 GFADRO COC(=O)c1cncc(CN(C)[C@H](CO)c2cccc(Br)c2)c1 ZINC000930149439 664763430 /nfs/dbraw/zinc/76/34/30/664763430.db2.gz QMQHOWNOYSZOCA-MRXNPFEDSA-N 1 0 379.254 2.796 20 0 GFADRO Cc1cc(C[NH2+][C@@H](C)c2cccc(S(N)(=O)=O)c2)cnc1Br ZINC000930185745 664764031 /nfs/dbraw/zinc/76/40/31/664764031.db2.gz MPWIAGJNWLWHJU-NSHDSACASA-N 1 0 384.299 2.651 20 0 GFADRO C[C@H]([NH2+]CC[S@@](=O)C(F)(F)F)c1cc(F)ccc1N1CCC(O)CC1 ZINC000930214463 664764665 /nfs/dbraw/zinc/76/46/65/664764665.db2.gz OFMILSNKFFOTDC-JPQMIFPKSA-N 1 0 382.423 2.706 20 0 GFADRO C[C@@H](CCc1ccc(Br)cc1)NC(=O)COC1CC[NH+](C)CC1 ZINC000930495509 664771826 /nfs/dbraw/zinc/77/18/26/664771826.db2.gz ZAKHXIUMSHPCAA-AWEZNQCLSA-N 1 0 383.330 2.997 20 0 GFADRO COC[C@@]1(CO)CC[N@H+](Cc2cc(C)c(I)cc2C)C1 ZINC000930658154 664775434 /nfs/dbraw/zinc/77/54/34/664775434.db2.gz LVQFZYRWEQQMIV-INIZCTEOSA-N 1 0 389.277 2.739 20 0 GFADRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)C[C@H]2C(=O)Nc3ccc(Br)cc32)C1 ZINC000930944950 664781645 /nfs/dbraw/zinc/78/16/45/664781645.db2.gz HGBRWWTVGBGRIP-SWLSCSKDSA-N 1 0 394.313 2.721 20 0 GFADRO COc1c(C)cnc(CN(C)C(=O)C2(n3cc(Br)cn3)CC2)c1C ZINC000931145372 664787014 /nfs/dbraw/zinc/78/70/14/664787014.db2.gz IXRIWMHEOLQKLR-UHFFFAOYSA-N 1 0 393.285 2.814 20 0 GFADRO CC(C)(C)[N@@H+](Cc1ccc(Br)cc1)CC1CN(S(C)(=O)=O)C1 ZINC000931164792 664787353 /nfs/dbraw/zinc/78/73/53/664787353.db2.gz TYGJWJWJJPXXBX-UHFFFAOYSA-N 1 0 389.359 2.941 20 0 GFADRO C[C@@H]1C[C@H](c2ccc(Br)cc2)C[N@@H+]1C[C@@H](O)C1(O)CCOCC1 ZINC000931265913 664789772 /nfs/dbraw/zinc/78/97/72/664789772.db2.gz JDWSAUFMLOKJON-UKPHBRMFSA-N 1 0 384.314 2.529 20 0 GFADRO O=C(CN1CCC([N@@H+]2CCCOCC2)CC1)Nc1ccc(Br)cc1 ZINC000931288666 664790614 /nfs/dbraw/zinc/79/06/14/664790614.db2.gz LYJYFSFWPNSELD-UHFFFAOYSA-N 1 0 396.329 2.574 20 0 GFADRO COC(=O)[C@H](c1ccc(Cl)c(Cl)c1)N1CCC(O)(C[NH+](C)C)CC1 ZINC000931482089 664796194 /nfs/dbraw/zinc/79/61/94/664796194.db2.gz OQTNNJWRLXRDRM-HNNXBMFYSA-N 1 0 375.296 2.596 20 0 GFADRO CCOC(=O)c1nc(NC(=O)NC[C@@H](C)C[NH+](C)C)sc1C(F)(F)F ZINC000931596353 664800476 /nfs/dbraw/zinc/80/04/76/664800476.db2.gz WKTANVCBTHMHDM-MRVPVSSYSA-N 1 0 382.408 2.658 20 0 GFADRO COc1ccc(C[N@@H+]2CCC(OC)(OC)[C@H](O)C2)cc1SC(F)(F)F ZINC000931639327 664801147 /nfs/dbraw/zinc/80/11/47/664801147.db2.gz IPHLZNHLMJEVCX-CQSZACIVSA-N 1 0 381.416 2.863 20 0 GFADRO O=C(NC[C@H]1CC[N@H+](CCc2ccccc2)C1)c1ncc(Br)cn1 ZINC000931905137 664807157 /nfs/dbraw/zinc/80/71/57/664807157.db2.gz MTALNLHYCCRJQA-OAHLLOKOSA-N 1 0 389.297 2.534 20 0 GFADRO CN(Cc1ccc(Cl)s1)C(=O)C[N@@H+]1CCC[C@H]([C@]2(C)COC(=O)N2)C1 ZINC000932030015 664809201 /nfs/dbraw/zinc/80/92/01/664809201.db2.gz GLUXGLRZAWMWER-SJCJKPOMSA-N 1 0 385.917 2.570 20 0 GFADRO Cn1ccc([C@H]2CCC[N@H+](C[C@H](O)COc3ccc(Br)cc3)C2)n1 ZINC000932139753 664810981 /nfs/dbraw/zinc/81/09/81/664810981.db2.gz RSTGFKYDMOBLNA-HOCLYGCPSA-N 1 0 394.313 2.802 20 0 GFADRO CC[NH+]1CCN([C@@H](C)CNC(=O)C/C=C/c2ccc(Br)cc2)CC1 ZINC000932704625 664832405 /nfs/dbraw/zinc/83/24/05/664832405.db2.gz VZFGVDDSGKVVSG-APHBUQMISA-N 1 0 394.357 2.995 20 0 GFADRO Cc1ncc(NC(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)c(C)c1Br ZINC000932767300 664836022 /nfs/dbraw/zinc/83/60/22/664836022.db2.gz PFJBMIZOUYEZLT-AWEZNQCLSA-N 1 0 397.317 2.524 20 0 GFADRO CN(Cc1ccc(Cl)s1)C(=O)CN1CCC(CO)(C(F)(F)F)CC1 ZINC000932822542 664840381 /nfs/dbraw/zinc/84/03/81/664840381.db2.gz GANUFXCTPCIQQN-UHFFFAOYSA-N 1 0 384.851 2.997 20 0 GFADRO O=C1NC[C@H](O)CC12CC[NH+](Cc1ccc(Br)c(Cl)c1)CC2 ZINC000932832934 664841450 /nfs/dbraw/zinc/84/14/50/664841450.db2.gz MHSUNLGXCXYAIE-GFCCVEGCSA-N 1 0 387.705 2.566 20 0 GFADRO COc1ncc(NC(=O)N2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)c(C)c1Br ZINC000932960821 664845553 /nfs/dbraw/zinc/84/55/53/664845553.db2.gz SOXOJSFTKWNLJS-AAEUAGOBSA-N 1 0 383.290 2.719 20 0 GFADRO C[NH+](C)CC[C@@H](NC(=O)c1cc(Br)cn2ncnc12)C(C)(C)C ZINC000932986889 664846389 /nfs/dbraw/zinc/84/63/89/664846389.db2.gz NXQWSTCKZWVXTH-CYBMUJFWSA-N 1 0 382.306 2.588 20 0 GFADRO C[NH+]1CCC(OCC(=O)NCCCc2ccc(Br)cc2F)CC1 ZINC000932989656 664846405 /nfs/dbraw/zinc/84/64/05/664846405.db2.gz LXJMMRMWNFNSGL-UHFFFAOYSA-N 1 0 387.293 2.748 20 0 GFADRO O=C(N1CCC[C@@H]([NH+]2CCCC2)CC1)C1(n2cc(Br)cn2)CC1 ZINC000933264347 664853912 /nfs/dbraw/zinc/85/39/12/664853912.db2.gz ZCZXXJWDRUUPBA-OAHLLOKOSA-N 1 0 381.318 2.612 20 0 GFADRO CCC1(CC)CNC(=O)[C@@H]1[NH2+]CCC(=O)Nc1ccccc1Br ZINC000933286974 664854310 /nfs/dbraw/zinc/85/43/10/664854310.db2.gz MFFVRMIMKXPELI-HNNXBMFYSA-N 1 0 382.302 2.672 20 0 GFADRO CN(Cc1ccco1)C(=O)C[NH2+][C@@](C)(CO)Cc1ccc(Br)cc1 ZINC000933436751 664863971 /nfs/dbraw/zinc/86/39/71/664863971.db2.gz HEVAMFVOTZQFEM-GOSISDBHSA-N 1 0 395.297 2.584 20 0 GFADRO CC[N@H+](C)C[C@H]1CCN(C(=O)[C@@](C)(O)c2ccc(F)c(Br)c2)C1 ZINC000933799146 664878411 /nfs/dbraw/zinc/87/84/11/664878411.db2.gz WIDQPABZAPYDEV-PXAZEXFGSA-N 1 0 387.293 2.596 20 0 GFADRO O[C@H](C[NH2+]C1(c2ccc3c(c2)OCCO3)CC1)c1cc(Br)no1 ZINC000934000834 664886336 /nfs/dbraw/zinc/88/63/36/664886336.db2.gz RYHJCILDTNTIGF-LLVKDONJSA-N 1 0 381.226 2.521 20 0 GFADRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1ncc(Br)cn1 ZINC000934184470 664891811 /nfs/dbraw/zinc/89/18/11/664891811.db2.gz WWMSNHLINXCFAI-BBRMVZONSA-N 1 0 389.297 2.880 20 0 GFADRO Cc1c(Br)cc(F)cc1C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000934222037 664892773 /nfs/dbraw/zinc/89/27/73/664892773.db2.gz FWAHHOOFTZWAJK-ZDUSSCGKSA-N 1 0 385.277 2.691 20 0 GFADRO Cc1c(Br)cncc1NC(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000934253741 664894349 /nfs/dbraw/zinc/89/43/49/664894349.db2.gz XRERCBLOMYQTES-AWEZNQCLSA-N 1 0 397.317 2.917 20 0 GFADRO OCC[N@@H+]1CCC[C@@H]2[C@@H]1CCN2Cc1nc2cc(Br)ccc2o1 ZINC000934268406 664896336 /nfs/dbraw/zinc/89/63/36/664896336.db2.gz JESWLYBMGXXHRA-CABCVRRESA-N 1 0 380.286 2.621 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)C[C@@H]2C(=O)Nc3ccc(Br)cc32)C[N@@H+]1C1CC1 ZINC000934396292 664905220 /nfs/dbraw/zinc/90/52/20/664905220.db2.gz PBRNBNOJKGMMFO-GMXABZIVSA-N 1 0 392.297 2.616 20 0 GFADRO C[NH+](C)CCN(Cc1ccco1)C(=O)c1nc(Br)c2ccccn21 ZINC000934492997 664908327 /nfs/dbraw/zinc/90/83/27/664908327.db2.gz GWIVUDUKRCXFCC-UHFFFAOYSA-N 1 0 391.269 2.894 20 0 GFADRO Cc1[nH]nc(Br)c1C(=O)N[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000934571617 664912019 /nfs/dbraw/zinc/91/20/19/664912019.db2.gz XIDDHBDZAOLIAD-BXUZGUMPSA-N 1 0 377.286 2.873 20 0 GFADRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1cc(Br)c2nccnc2c1 ZINC000934579185 664912233 /nfs/dbraw/zinc/91/22/33/664912233.db2.gz WMYKQNMOVXRKQX-ZUZCIYMTSA-N 1 0 375.270 2.605 20 0 GFADRO CSCC(C)(C)[NH2+]CC(=O)Nc1cccc(C(=O)N2CCSCC2)c1 ZINC000934671927 664914593 /nfs/dbraw/zinc/91/45/93/664914593.db2.gz CSNWTSBCEKPNMT-UHFFFAOYSA-N 1 0 381.567 2.545 20 0 GFADRO CN(C(=O)c1ncc(Br)cn1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000934786424 664921808 /nfs/dbraw/zinc/92/18/08/664921808.db2.gz ULVXWEMSAGXTFZ-OAHLLOKOSA-N 1 0 375.270 2.586 20 0 GFADRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2ccc3c(Br)cnn3c2)C1 ZINC000934952544 664931645 /nfs/dbraw/zinc/93/16/45/664931645.db2.gz UANQGGNYQTVWEJ-DOMZBBRYSA-N 1 0 377.286 2.653 20 0 GFADRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cnn3cccc(Br)c23)C1 ZINC000934953233 664931749 /nfs/dbraw/zinc/93/17/49/664931749.db2.gz YBUCKKVLESYOIG-IUODEOHRSA-N 1 0 377.286 2.653 20 0 GFADRO Cc1[nH]nc(Br)c1C(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000935029803 664934607 /nfs/dbraw/zinc/93/46/07/664934607.db2.gz BHJMSTBKVVWQEH-LBPRGKRZSA-N 1 0 392.301 2.831 20 0 GFADRO CCc1ccc(Br)cc1C(=O)Nc1ccc(=O)n(CC[NH+](C)C)c1 ZINC000935084472 664938988 /nfs/dbraw/zinc/93/89/88/664938988.db2.gz FEPKYHRMRUKIGJ-UHFFFAOYSA-N 1 0 392.297 2.987 20 0 GFADRO C[C@H](NC(=O)c1cc(=O)[nH]cc1Br)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000935316034 664953378 /nfs/dbraw/zinc/95/33/78/664953378.db2.gz OUOMCVHYZDYISW-RYUDHWBXSA-N 1 0 382.302 2.933 20 0 GFADRO COc1cc(Br)ccc1[C@@H](C)NC(=O)COC1CC[NH+](C)CC1 ZINC000935583955 664971577 /nfs/dbraw/zinc/97/15/77/664971577.db2.gz LRYRKYCVFHFWSI-GFCCVEGCSA-N 1 0 385.302 2.746 20 0 GFADRO C[NH+](C)[C@@H]1CCCN(C(=O)C[C@@H]2C(=O)Nc3ccc(Br)cc32)CC1 ZINC000935652359 664978135 /nfs/dbraw/zinc/97/81/35/664978135.db2.gz NXEBCBYLMNNDHX-HIFRSBDPSA-N 1 0 394.313 2.818 20 0 GFADRO Cc1ccc(Br)c2[nH]c(C(=O)N3CCC[C@](O)(C[NH+](C)C)C3)cc21 ZINC000935679351 664980594 /nfs/dbraw/zinc/98/05/94/664980594.db2.gz IPZBOIZQTQDTIV-SFHVURJKSA-N 1 0 394.313 2.768 20 0 GFADRO C[NH+](C)[C@H](C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(Cl)cs1)C2)C1CC1 ZINC000996388919 665031192 /nfs/dbraw/zinc/03/11/92/665031192.db2.gz VPCOBIVKFMQLOG-HOSILWTGSA-N 1 0 381.929 2.603 20 0 GFADRO C[NH+](C)[C@H](C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccsc1Cl)C2)C1CC1 ZINC000996389399 665031401 /nfs/dbraw/zinc/03/14/01/665031401.db2.gz LJIOQIGBKGONKI-UNQGMJICSA-N 1 0 381.929 2.603 20 0 GFADRO Cc1csc(Cl)c1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CCCC1)C2 ZINC001002828884 665057427 /nfs/dbraw/zinc/05/74/27/665057427.db2.gz WMHOXURJEAWBLX-MCIONIFRSA-N 1 0 381.929 2.667 20 0 GFADRO C[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2cscc2Cl)CC1 ZINC001003746164 665061939 /nfs/dbraw/zinc/06/19/39/665061939.db2.gz QTNYXZXRELJIKE-WQVCFCJDSA-N 1 0 381.929 2.605 20 0 GFADRO C[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2sccc2Cl)CC1 ZINC001003748314 665062001 /nfs/dbraw/zinc/06/20/01/665062001.db2.gz BEUQNPBOTCPUFN-YUELXQCFSA-N 1 0 381.929 2.605 20 0 GFADRO COC(=O)c1ccc(N(CC[NH+](C)C)Cc2ccc(Br)cc2)nn1 ZINC000596157646 677674264 /nfs/dbraw/zinc/67/42/64/677674264.db2.gz AJYNFJUZHUIJOP-UHFFFAOYSA-N 1 0 393.285 2.594 20 0 GFADRO CCOC(=O)c1cnc(Cl)nc1C(F)(F)N1CCC2(CCCC[NH2+]2)CC1 ZINC001164387281 718802482 /nfs/dbraw/zinc/80/24/82/718802482.db2.gz LORPZXXVDLCMKN-UHFFFAOYSA-N 1 0 388.846 2.964 20 0 GFADRO OC[C@@]12C[NH2+]C[C@@H]1CN(C(F)(F)c1ccc(-c3ccnc(Cl)c3)cc1)C2 ZINC001164402112 718850947 /nfs/dbraw/zinc/85/09/47/718850947.db2.gz DYHHIAXCNDZPSJ-AEFFLSMTSA-N 1 0 379.838 2.965 20 0 GFADRO FC(F)(c1cc(-c2ccco2)nnc1Cl)N1CCO[C@H]2C[NH2+]CC[C@H]2C1 ZINC001164408641 718864656 /nfs/dbraw/zinc/86/46/56/718864656.db2.gz MXFVVDGZVCCSHN-NHYWBVRUSA-N 1 0 384.814 2.750 20 0 GFADRO FC(F)(c1cnc(Cl)cc1Cl)N1CCCO[C@]2(C[NH2+]CCOC2)C1 ZINC001164421496 718912810 /nfs/dbraw/zinc/91/28/10/718912810.db2.gz RWVOFZKSOABXHJ-CQSZACIVSA-N 1 0 382.238 2.519 20 0 GFADRO FC(F)(c1nc2[nH]cnc2c(Cl)n1)N1C[C@@H]2[NH2+]Cc3ccccc3[C@H]2C1 ZINC001164423571 718945543 /nfs/dbraw/zinc/94/55/43/718945543.db2.gz IHVKJMNBBSDMHQ-NEPJUHHUSA-N 1 0 376.798 2.578 20 0 GFADRO CN(C)c1cc(C(F)(F)N2C[C@@H]3[NH2+]Cc4ccccc4[C@H]3C2)nc(Cl)n1 ZINC001164429422 718946718 /nfs/dbraw/zinc/94/67/18/718946718.db2.gz PDYLJDHVDFAFOT-KGLIPLIRSA-N 1 0 379.842 2.817 20 0 GFADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@H]3C[C@@H](C2)[C@@H](C(=O)OCC)N3)nc1 ZINC001164615489 719004090 /nfs/dbraw/zinc/00/40/90/719004090.db2.gz HBLSAIVSHYDEIX-PXCRPINLSA-N 1 0 386.540 2.748 20 0 GFADRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@@H]2N1C(F)(F)c1ccc(SC)c(Cl)n1 ZINC001164617763 719015606 /nfs/dbraw/zinc/01/56/06/719015606.db2.gz PDMCDFJOFRFIEI-DCAQKATOSA-N 1 0 391.871 2.732 20 0 GFADRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@@H]2N1C(F)(F)Oc1cc(Cl)nc(Cl)c1 ZINC001164615580 719019007 /nfs/dbraw/zinc/01/90/07/719019007.db2.gz IWHDWJPLUDCQRG-LSJOCFKGSA-N 1 0 396.221 2.543 20 0 GFADRO CCOC(=O)C1CC[NH+](C2CCN(c3ncc4cccc(OC)c4n3)CC2)CC1 ZINC001164616456 719027597 /nfs/dbraw/zinc/02/75/97/719027597.db2.gz FNENIFCEHXHFIQ-UHFFFAOYSA-N 1 0 398.507 2.882 20 0 GFADRO CCOC(=O)C1CC[NH+](C2CCN(c3cc(-c4ccncc4)ncn3)CC2)CC1 ZINC001164617179 719032656 /nfs/dbraw/zinc/03/26/56/719032656.db2.gz IZYOCAHZSOJOLP-UHFFFAOYSA-N 1 0 395.507 2.783 20 0 GFADRO CCOC(=O)C1CC[NH+](C2CCN(c3ccc(-c4ccncc4)nn3)CC2)CC1 ZINC001164617199 719033587 /nfs/dbraw/zinc/03/35/87/719033587.db2.gz JSTMMUZRJSVVSG-UHFFFAOYSA-N 1 0 395.507 2.783 20 0 GFADRO CCNC(=O)c1cc(Cl)nc(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC001164625159 719114693 /nfs/dbraw/zinc/11/46/93/719114693.db2.gz GWXHJRPIFDXJDB-WMZOPIPTSA-N 1 0 399.926 2.981 20 0 GFADRO [NH3+]C1([C@H]2CN(c3ncnc4c3CCN(Cc3ccccc3)C4)C[C@@H]2CF)CC1 ZINC001164628781 719117950 /nfs/dbraw/zinc/11/79/50/719117950.db2.gz OCDDALBOTKZSQN-HKUYNNGSSA-N 1 0 381.499 2.548 20 0 GFADRO [NH3+]C1([C@H]2CN(C(F)(F)COC(=O)Nc3ccc(Cl)nc3)C[C@@H]2CF)CC1 ZINC001164624743 719125673 /nfs/dbraw/zinc/12/56/73/719125673.db2.gz VYHMSAOTBNUSFD-JQWIXIFHSA-N 1 0 392.809 2.885 20 0 GFADRO Cc1cc2c(ncnc2N2C[C@H](C)[N@@H+](C)C[C@@H]2C)n1S(=O)(=O)c1ccccc1 ZINC001164642393 719171209 /nfs/dbraw/zinc/17/12/09/719171209.db2.gz YDAOMYNLIIFLOM-HOTGVXAUSA-N 1 0 399.520 2.506 20 0 GFADRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1c1ncc2cc(C(=O)N(C)C)n(C3CCCC3)c2n1 ZINC001164637359 719199785 /nfs/dbraw/zinc/19/97/85/719199785.db2.gz OCMODMUXKAVNCG-LSDHHAIUSA-N 1 0 384.528 2.777 20 0 GFADRO C[C@H]1C[N@H+](C)[C@@H](C)CN1c1ncccc1C(=O)NCCSCc1ccco1 ZINC001164641631 719216132 /nfs/dbraw/zinc/21/61/32/719216132.db2.gz USTBEGBVXITBDA-HOTGVXAUSA-N 1 0 388.537 2.867 20 0 GFADRO COc1ccc2nc(-n3nc(CN(C)C(C)C)c4c3C[NH2+]CC4)c(C)nc2c1 ZINC001164679770 719643402 /nfs/dbraw/zinc/64/34/02/719643402.db2.gz MQBGHBJZGVINJL-UHFFFAOYSA-N 1 0 380.496 2.618 20 0 GFADRO Cn1cc([C@H]2COC3(C2)CCN(c2ccc(C[N@H+](C)C4CC4)cn2)CC3)cn1 ZINC001164697603 719826707 /nfs/dbraw/zinc/82/67/07/719826707.db2.gz PKHOQKWRALFFTL-GOSISDBHSA-N 1 0 381.524 2.952 20 0 GFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ncc(C(=O)OC)cc1Cl)C2 ZINC001164809278 720067846 /nfs/dbraw/zinc/06/78/46/720067846.db2.gz JFHQFYKEASPBBX-JXFKEZNVSA-N 1 0 393.915 2.706 20 0 GFADRO CCOC(=O)c1cc(F)cnc1N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COC ZINC001164807419 720083338 /nfs/dbraw/zinc/08/33/38/720083338.db2.gz FKORMFUKLZATGV-HRAATJIYSA-N 1 0 391.487 2.582 20 0 GFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1c(C)nc(Cl)nc1OC)C2 ZINC001164807380 720116244 /nfs/dbraw/zinc/11/62/44/720116244.db2.gz CDJXTYBLPAJITI-DNVCBOLYSA-N 1 0 380.920 2.632 20 0 GFADRO CCOc1nccc(N2CCC3(C[C@H](COC)[N@H+](Cc4ccccn4)C3)CC2)n1 ZINC001164715523 720121654 /nfs/dbraw/zinc/12/16/54/720121654.db2.gz GYGFGQOJDDJAAN-LJQANCHMSA-N 1 0 397.523 2.778 20 0 GFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ccnc(-c3cccnc3)n1)C2 ZINC001164815879 720130015 /nfs/dbraw/zinc/13/00/15/720130015.db2.gz WSLLIMHDPRCXMT-SIKLNZKXSA-N 1 0 379.508 2.723 20 0 GFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cc(-c3ccccn3)ncn1)C2 ZINC001164819892 720173709 /nfs/dbraw/zinc/17/37/09/720173709.db2.gz YWGQKAYKTSDXDR-GCJKJVERSA-N 1 0 379.508 2.723 20 0 GFADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1cnc(-c3ccco3)cn1)CCC2 ZINC001164812926 720219677 /nfs/dbraw/zinc/21/96/77/720219677.db2.gz KPNHLMDVQJOTFE-UHFFFAOYSA-N 1 0 394.479 2.544 20 0 GFADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1cc(Cl)ncc1F)CCC2 ZINC001164814683 720221027 /nfs/dbraw/zinc/22/10/27/720221027.db2.gz UWZHVZOTHQCZDS-UHFFFAOYSA-N 1 0 379.867 2.681 20 0 GFADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2cnc3ccc(F)cc3n2)CC1 ZINC001164823163 720313630 /nfs/dbraw/zinc/31/36/30/720313630.db2.gz PBFIKXXJRVVJBX-VQTJNVASSA-N 1 0 397.498 2.680 20 0 GFADRO Cc1cc(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc(C2CC2)n1 ZINC001164830711 720344745 /nfs/dbraw/zinc/34/47/45/720344745.db2.gz WPWUVVGYFRJCGH-RBUKOAKNSA-N 1 0 383.540 2.574 20 0 GFADRO COC(=O)c1ccc2nc(N3CC[C@@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)ncc2c1 ZINC001164728461 720346646 /nfs/dbraw/zinc/34/66/46/720346646.db2.gz VTHMHQCDVGNUFT-UXHICEINSA-N 1 0 389.459 2.665 20 0 GFADRO CCc1cc(CC)nc(N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164826024 720352982 /nfs/dbraw/zinc/35/29/82/720352982.db2.gz KCWLRNJWAXELIK-UXHICEINSA-N 1 0 385.556 2.513 20 0 GFADRO CCOC(=O)c1cc(Cl)nnc1N1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164721153 720356087 /nfs/dbraw/zinc/35/60/87/720356087.db2.gz ATYLGXAMNXHTRK-HOTGVXAUSA-N 1 0 387.871 2.555 20 0 GFADRO CCOC(=O)c1cc(Cl)nnc1N1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164721152 720356602 /nfs/dbraw/zinc/35/66/02/720356602.db2.gz ATYLGXAMNXHTRK-CVEARBPZSA-N 1 0 387.871 2.555 20 0 GFADRO CCOC(=O)c1cnc(N2CC[C@@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)c(OC)c1 ZINC001164724287 720404270 /nfs/dbraw/zinc/40/42/70/720404270.db2.gz IYWJFIMZRDAVEI-QZTJIDSGSA-N 1 0 382.464 2.515 20 0 GFADRO CCOC(=O)c1ccnc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c1 ZINC001164833867 720511847 /nfs/dbraw/zinc/51/18/47/720511847.db2.gz DSCJPHWODADYIK-SLFFLAALSA-N 1 0 397.523 2.833 20 0 GFADRO COC(=O)c1ccc(C)nc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164837862 720514782 /nfs/dbraw/zinc/51/47/82/720514782.db2.gz QBCDMEVDPVKOPM-WSTZPKSXSA-N 1 0 397.523 2.751 20 0 GFADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ncnc4c3ccn4C)CC[C@@H]21 ZINC001164832813 720517801 /nfs/dbraw/zinc/51/78/01/720517801.db2.gz BLMXYNJHEWLPCI-AOIWGVFYSA-N 1 0 379.512 2.543 20 0 GFADRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(c2cc(-c3nc(C(C)(C)C)no3)ccn2)C1 ZINC001164733314 720522055 /nfs/dbraw/zinc/52/20/55/720522055.db2.gz IWVLCHJWLPDHDJ-OAHLLOKOSA-N 1 0 395.511 2.824 20 0 GFADRO COc1ccccc1-c1ccnc(N2Cc3nccn3C[C@H](C[NH+](C)C)C2)n1 ZINC001164731756 720526192 /nfs/dbraw/zinc/52/61/92/720526192.db2.gz AGMRTSQEUIIUPX-INIZCTEOSA-N 1 0 378.480 2.547 20 0 GFADRO COc1cc2cnc(N3Cc4nccn4C[C@@H](C[NH+](C)C)C3)cc2cc1OC ZINC001164735181 720526641 /nfs/dbraw/zinc/52/66/41/720526641.db2.gz VTGCEKAZARKQCA-OAHLLOKOSA-N 1 0 381.480 2.647 20 0 GFADRO CC(=O)Nc1cccc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)n1 ZINC001164835019 720543252 /nfs/dbraw/zinc/54/32/52/720543252.db2.gz GSYZWZYVZDXUGV-CEXWTWQISA-N 1 0 382.512 2.614 20 0 GFADRO CCOC(=O)/C=C\c1ccc(N2CCc3ncc(C[NH+]4CCCC4)n3CC2)nc1 ZINC001164728015 720572118 /nfs/dbraw/zinc/57/21/18/720572118.db2.gz HIGARPOVANEYCT-VURMDHGXSA-N 1 0 395.507 2.513 20 0 GFADRO CC(C)[N@H+]1[C@@H]2CCN(c3ncc4c(n3)CCCC4)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164843533 720631575 /nfs/dbraw/zinc/63/15/75/720631575.db2.gz XUWYCEZRZOQDAC-IRFCIJBXSA-N 1 0 380.540 2.930 20 0 GFADRO Cc1cccc2c(Cl)nnc(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)c12 ZINC001164738122 720690331 /nfs/dbraw/zinc/69/03/31/720690331.db2.gz ILEULYJQFSMTGI-LSDHHAIUSA-N 1 0 396.882 2.724 20 0 GFADRO Cc1c[nH]c2nc(Cl)cc(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)c12 ZINC001164741011 720750936 /nfs/dbraw/zinc/75/09/36/720750936.db2.gz LWCIJKMSWIJIRS-UONOGXRCSA-N 1 0 384.871 2.657 20 0 GFADRO CC(C)c1ccc2ncnc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)c2c1 ZINC001164738973 720767350 /nfs/dbraw/zinc/76/73/50/720767350.db2.gz HEEBFTSFQOEMLB-ROUUACIJSA-N 1 0 390.491 2.885 20 0 GFADRO c1cc2c(ccnc2N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)o1 ZINC001164742302 720809519 /nfs/dbraw/zinc/80/95/19/720809519.db2.gz CUBISSFFHHOBLA-ZHALLVOQSA-N 1 0 378.480 2.799 20 0 GFADRO c1ncn(C[C@@H]2C[C@H]3CN(c4ccc5c(n4)CCCC5)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164738006 720823830 /nfs/dbraw/zinc/82/38/30/720823830.db2.gz DIGPCEOZLWCVGH-JAXLGGSGSA-N 1 0 392.551 2.931 20 0 GFADRO COCC[N@@H+]1CCO[C@H]2CN(c3ncnc4sc(C(C)C)cc43)CC[C@H]2C1 ZINC001164848868 720832030 /nfs/dbraw/zinc/83/20/30/720832030.db2.gz NNZQOFKFJFWMDI-RDJZCZTQSA-N 1 0 390.553 2.988 20 0 GFADRO COCC[N@@H+]1CCO[C@@H]2CN(c3nc4ccc(OC)cc4cc3C)CC[C@@H]2C1 ZINC001164848370 720832790 /nfs/dbraw/zinc/83/27/90/720832790.db2.gz MVAKZKAEPQMGIV-DYESRHJHSA-N 1 0 385.508 2.725 20 0 GFADRO CC(C)c1ccnc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164751033 720839217 /nfs/dbraw/zinc/83/92/17/720839217.db2.gz XXQFWYDYAQDCGT-QWFCFKBJSA-N 1 0 381.528 2.571 20 0 GFADRO COCC[N@@H+]1CCO[C@@H]2CN(c3nc(Cl)nc4cc(C)ccc43)CC[C@@H]2C1 ZINC001164851566 720856133 /nfs/dbraw/zinc/85/61/33/720856133.db2.gz AZFMEOSRTIMYHF-CRAIPNDOSA-N 1 0 390.915 2.765 20 0 GFADRO COCC[N@@H+]1CCO[C@H]2CN(c3ncnc4c3ccn4C3CCCC3)CC[C@@H]2C1 ZINC001164859551 720858970 /nfs/dbraw/zinc/85/89/70/720858970.db2.gz UHNVTHDMNKITEG-XLIONFOSSA-N 1 0 399.539 2.720 20 0 GFADRO COCC[N@@H+]1CCO[C@@H]2CN(c3nc(Cl)cc(C(C)(C)C)n3)CC[C@@H]2C1 ZINC001164859021 720870051 /nfs/dbraw/zinc/87/00/51/720870051.db2.gz UBMKBPYOUPQMAU-HUUCEWRRSA-N 1 0 382.936 2.601 20 0 GFADRO CC(C)[N@H+](C)Cc1cnc2n1CCN([C@H](F)Oc1cncc(Cl)n1)[C@H]2C ZINC001164864378 721015465 /nfs/dbraw/zinc/01/54/65/721015465.db2.gz XMFVYSSIERYCRK-SJCJKPOMSA-N 1 0 382.871 2.875 20 0 GFADRO Clc1cc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)nc(C2CC2)n1 ZINC001164867712 721055576 /nfs/dbraw/zinc/05/55/76/721055576.db2.gz JTEWMCXUUXLBKY-IAGOWNOFSA-N 1 0 385.899 2.882 20 0 GFADRO Cc1nc2cc(F)ccc2c(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164865832 721066915 /nfs/dbraw/zinc/06/69/15/721066915.db2.gz AIDIIPJNAWNLTP-RBUKOAKNSA-N 1 0 393.466 2.952 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(C(F)(F)c4ccnc(Cl)c4)C[C@H]3C2)cn1 ZINC001164767515 721075429 /nfs/dbraw/zinc/07/54/29/721075429.db2.gz MAHBWNOKRPGIFG-LSDHHAIUSA-N 1 0 381.858 2.972 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(C(F)(F)c4cccnc4Cl)C[C@@H]3C2)cn1 ZINC001164770980 721075506 /nfs/dbraw/zinc/07/55/06/721075506.db2.gz QRUHUVIPSSBQEF-CABCVRRESA-N 1 0 381.858 2.972 20 0 GFADRO F[C@H](Oc1cccc(Cl)n1)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164865657 721088688 /nfs/dbraw/zinc/08/86/88/721088688.db2.gz OBWBCOMFVSSCDY-MDZRGWNJSA-N 1 0 392.862 2.737 20 0 GFADRO COc1ccc2c(c1)ncnc2N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164866661 721088905 /nfs/dbraw/zinc/08/89/05/721088905.db2.gz UPOSBOBHCWNXQC-PKOBYXMFSA-N 1 0 391.475 2.513 20 0 GFADRO COc1cccc2ccc(N3C[C@@H]4C[N@@H+](Cc5cnn(C)c5)CC[C@@H]4C3)nc21 ZINC001164773201 721095926 /nfs/dbraw/zinc/09/59/26/721095926.db2.gz XCIJZPUCEHFNAL-MOPGFXCFSA-N 1 0 377.492 2.935 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(C(F)(F)c4cnc(Cl)cc4N)C[C@H]3C2)cn1 ZINC001164773805 721139526 /nfs/dbraw/zinc/13/95/26/721139526.db2.gz ZCIFRSRTOYXIAW-ZIAGYGMSSA-N 1 0 396.873 2.554 20 0 GFADRO COc1ccc2ccnc(N3C[C@@H]4CC[N@H+](Cc5cnn(C)c5)C[C@H]4C3)c2c1 ZINC001164762023 721176679 /nfs/dbraw/zinc/17/66/79/721176679.db2.gz BXMWDERFIUCBPH-OALUTQOASA-N 1 0 377.492 2.935 20 0 GFADRO Cc1cc(N2C[C@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)nc(-c2ccncc2)n1 ZINC001164767599 721193028 /nfs/dbraw/zinc/19/30/28/721193028.db2.gz KCXAWKYMJMSKHE-WOJBJXKFSA-N 1 0 389.507 2.539 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4nc(C5CCC5)nc5[nH]ccc54)C[C@@H]3C2)cn1 ZINC001164765546 721248967 /nfs/dbraw/zinc/24/89/67/721248967.db2.gz SAIZJXGTTKVUIS-ROUUACIJSA-N 1 0 391.523 2.917 20 0 GFADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4cc(C5CCC5)ncn4)C3)O2)CC1 ZINC001164893708 721443922 /nfs/dbraw/zinc/44/39/22/721443922.db2.gz KAAPHYBCDXSROV-SIKLNZKXSA-N 1 0 385.556 2.510 20 0 GFADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4cc(C5CCC5)ncn4)C3)O2)CC1 ZINC001164893704 721444269 /nfs/dbraw/zinc/44/42/69/721444269.db2.gz KAAPHYBCDXSROV-DENIHFKCSA-N 1 0 385.556 2.510 20 0 GFADRO CSCc1ccnc(N2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)c1 ZINC001164899533 721445204 /nfs/dbraw/zinc/44/52/04/721445204.db2.gz YXSFCEOAHXLTLX-TZIWHRDSSA-N 1 0 390.597 2.710 20 0 GFADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncnc(C)c1C)CC2 ZINC001164783636 721457849 /nfs/dbraw/zinc/45/78/49/721457849.db2.gz DXCULVNNTXKGTA-HXUWFJFHSA-N 1 0 388.556 2.827 20 0 GFADRO CC(C)C(=O)N1CC[C@H]2CN(c3cccc(OCC[NH+]4CCCC4)n3)CC[C@H]21 ZINC001164891671 721464847 /nfs/dbraw/zinc/46/48/47/721464847.db2.gz NGPZBLHJTVJFFI-RBUKOAKNSA-N 1 0 386.540 2.639 20 0 GFADRO CCc1cc(N2CCC3(C[C@@H](COCC4CC4)[N@H+](CCOC)C3)CC2)ncn1 ZINC001164791200 721467910 /nfs/dbraw/zinc/46/79/10/721467910.db2.gz VFCLKTFWQPCPAA-FQEVSTJZSA-N 1 0 388.556 2.773 20 0 GFADRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1nccc3c1C(=O)NC3)CC2 ZINC001164791992 721495145 /nfs/dbraw/zinc/49/51/45/721495145.db2.gz ITTVUCUOANKDRV-UHFFFAOYSA-N 1 0 377.492 2.601 20 0 GFADRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2ccc4c(Cl)cccc4n2)CC3)CC1 ZINC001164794007 721513093 /nfs/dbraw/zinc/51/30/93/721513093.db2.gz ATQNYRZJVRWJOX-UHFFFAOYSA-N 1 0 396.926 2.852 20 0 GFADRO CSc1nc(C)cc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)n1 ZINC001164795160 721524858 /nfs/dbraw/zinc/52/48/58/721524858.db2.gz KPGVUZOTWFJVHN-AOIWGVFYSA-N 1 0 385.537 2.770 20 0 GFADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ccc3ncccc3n2)[C@H]2CCCO[C@@H]12 ZINC001164808403 721549574 /nfs/dbraw/zinc/54/95/74/721549574.db2.gz RWOFCFAMQIWBMM-TUNNFDKTSA-N 1 0 375.476 2.893 20 0 GFADRO Cc1noc(-c2ccnc(N3CC[N@@H+]4C[C@H](Oc5cccc(F)c5)C[C@@H]4C3)c2)n1 ZINC001164903085 721557089 /nfs/dbraw/zinc/55/70/89/721557089.db2.gz AFJSXMLWNPCWHZ-IEBWSBKVSA-N 1 0 395.438 2.921 20 0 GFADRO Fc1cccc(O[C@H]2C[C@H]3CN(c4nccnc4OC4CCC4)CC[N@@H+]3C2)c1 ZINC001164910372 721562488 /nfs/dbraw/zinc/56/24/88/721562488.db2.gz WNAFYVBHINGGGU-LPHOPBHVSA-N 1 0 384.455 2.889 20 0 GFADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc3nc[nH]c3cc2Cl)[C@H]2CCCO[C@H]12 ZINC001164802192 721562790 /nfs/dbraw/zinc/56/27/90/721562790.db2.gz HPLFHHWYFXSUKB-KSZLIROESA-N 1 0 398.898 2.875 20 0 GFADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cc(-c3ncc[nH]3)ccn2)[C@H]2CCCO[C@H]12 ZINC001164798171 721569238 /nfs/dbraw/zinc/56/92/38/721569238.db2.gz ANFYVGOPFGWLPN-ZVDOUQERSA-N 1 0 390.491 2.735 20 0 GFADRO CC(=O)Nc1c(C)ccnc1N1C[C@H]([N@H+](C)Cc2cccnc2)[C@H]2OCCC[C@@H]21 ZINC001164798744 721573062 /nfs/dbraw/zinc/57/30/62/721573062.db2.gz CCXTUYOYQAPFSI-ZJOUEHCJSA-N 1 0 395.507 2.612 20 0 GFADRO COc1cncnc1N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164904941 721695153 /nfs/dbraw/zinc/69/51/53/721695153.db2.gz IBSWLHOYOMDITK-SFHVURJKSA-N 1 0 375.423 2.618 20 0 GFADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2cc(-c3cccs3)ncn2)CC1 ZINC001165010407 721746082 /nfs/dbraw/zinc/74/60/82/721746082.db2.gz MHBQHZMPLJCDCO-UHFFFAOYSA-N 1 0 385.537 2.728 20 0 GFADRO CN(Cc1ccco1)Cc1cncc2c1CCN(c1ccc3c(n1)CC[NH2+]C3)C2 ZINC001164909381 721747429 /nfs/dbraw/zinc/74/74/29/721747429.db2.gz QKZYZGNQSBOHBK-UHFFFAOYSA-N 1 0 389.503 2.910 20 0 GFADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2cncc(-c3ccc(F)cc3)n2)CC1 ZINC001165012665 721749701 /nfs/dbraw/zinc/74/97/01/721749701.db2.gz LWXVNSFENUVBIZ-UHFFFAOYSA-N 1 0 397.498 2.806 20 0 GFADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc(C(N)=O)cc(Cl)n3)C[C@@H]21 ZINC001165018570 721801676 /nfs/dbraw/zinc/80/16/76/721801676.db2.gz BIYGROCVFRRNQF-FHLIZLRMSA-N 1 0 399.926 2.966 20 0 GFADRO COC(=O)Cc1cccc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)n1 ZINC001165025569 721810345 /nfs/dbraw/zinc/81/03/45/721810345.db2.gz NTYWJFTXOJGXAN-IOMROCGXSA-N 1 0 394.519 2.929 20 0 GFADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(Cl)ccc3C(N)=O)C[C@@H]21 ZINC001165024124 721813234 /nfs/dbraw/zinc/81/32/34/721813234.db2.gz ISYSYUWDJWPHDK-FHLIZLRMSA-N 1 0 399.926 2.966 20 0 GFADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc(NC(N)=S)cn3)C[C@@H]21 ZINC001165025290 721828566 /nfs/dbraw/zinc/82/85/66/721828566.db2.gz MPTNVTAIKQNMLP-AYOQOUSVSA-N 1 0 396.564 2.869 20 0 GFADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc4c(nn3)CCOC4)C[C@H]21 ZINC001165025728 721829316 /nfs/dbraw/zinc/82/93/16/721829316.db2.gz NOCPZCIMUDCANH-LDQXTDLNSA-N 1 0 379.508 2.681 20 0 GFADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3c(Cl)nccc3C(N)=O)C[C@@H]21 ZINC001165020763 721829581 /nfs/dbraw/zinc/82/95/81/721829581.db2.gz DRCHZGPQTRWNRU-JCGIZDLHSA-N 1 0 399.926 2.966 20 0 GFADRO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2c1cc(Cl)nc(Cc2ccccc2)n1 ZINC001164924534 721859384 /nfs/dbraw/zinc/85/93/84/721859384.db2.gz CIGKQWGRNIUILC-ZWKOTPCHSA-N 1 0 385.943 2.935 20 0 GFADRO CCOC(=O)c1cc2ccccc2nc1N1CC[C@@H]2[C@@H]1CCN2CC[NH+](C)C ZINC001164927019 721870976 /nfs/dbraw/zinc/87/09/76/721870976.db2.gz UHWPDPJABVFEPL-UXHICEINSA-N 1 0 382.508 2.626 20 0 GFADRO C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2C(F)(F)Cc1nc(Cl)cc(Cl)n1 ZINC001164926321 721875254 /nfs/dbraw/zinc/87/52/54/721875254.db2.gz RIXCYYIATCQJIV-RYUDHWBXSA-N 1 0 394.297 2.629 20 0 GFADRO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2c1ccc(C(=O)OCc2ccccc2)cn1 ZINC001164930554 721882211 /nfs/dbraw/zinc/88/22/11/721882211.db2.gz DFAMLWCOVLBAGG-LEWJYISDSA-N 1 0 394.519 2.653 20 0 GFADRO CN(CC1CC[NH+](C)CC1)c1nc(Cl)nc2c1ncn2[C@@H]1CCCCO1 ZINC001165041485 721933708 /nfs/dbraw/zinc/93/37/08/721933708.db2.gz ZOHCTAQOMGDOEU-AWEZNQCLSA-N 1 0 378.908 2.957 20 0 GFADRO CCOC(=O)[C@H]1CCCN(c2ccc(N3CCC([NH+](CC)CC)CC3)nn2)C1 ZINC001165052877 722006138 /nfs/dbraw/zinc/00/61/38/722006138.db2.gz GCVLMGKXPLPGCN-KRWDZBQOSA-N 1 0 389.544 2.567 20 0 GFADRO c1ccc(CC[NH+]2CCN(c3nc4ccccc4nc3N3CCCC3)CC2)nc1 ZINC001165054770 722016430 /nfs/dbraw/zinc/01/64/30/722016430.db2.gz BSNOGIDHGRKKKX-UHFFFAOYSA-N 1 0 388.519 2.990 20 0 GFADRO COc1ccccc1-c1ccc(N2CC[NH+](CCc3ccccn3)CC2)nn1 ZINC001165055710 722017496 /nfs/dbraw/zinc/01/74/96/722017496.db2.gz SXZLTJJHOITMMP-UHFFFAOYSA-N 1 0 375.476 2.912 20 0 GFADRO Clc1cc(-c2ccncc2)nc(N2CC[NH+](CCc3ccccn3)CC2)n1 ZINC001165056140 722019814 /nfs/dbraw/zinc/01/98/14/722019814.db2.gz XCXZUHNTGIHGGB-UHFFFAOYSA-N 1 0 380.883 2.952 20 0 GFADRO c1cncc(C[N@@H+]2CCO[C@H]3CN(c4nccc5ncccc54)CC[C@H]3C2)c1 ZINC001164978247 722104175 /nfs/dbraw/zinc/10/41/75/722104175.db2.gz GIXCDQOYQQKJCH-RXVVDRJESA-N 1 0 375.476 2.752 20 0 GFADRO Fc1cnc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c(Cl)c1 ZINC001164970890 722110774 /nfs/dbraw/zinc/11/07/74/722110774.db2.gz ALRHELHMYWXWPE-YJBOKZPZSA-N 1 0 376.863 2.996 20 0 GFADRO Cc1nc(C)c(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c(Cl)n1 ZINC001164970983 722111826 /nfs/dbraw/zinc/11/18/26/722111826.db2.gz BAMXBDFAMHDYGR-ROUUACIJSA-N 1 0 387.915 2.869 20 0 GFADRO c1cncc(C[N@@H+]2CCO[C@H]3CN(c4ccc5cccnc5n4)CC[C@@H]3C2)c1 ZINC001164970879 722112757 /nfs/dbraw/zinc/11/27/57/722112757.db2.gz AHKASJIEWWFQMJ-UXHICEINSA-N 1 0 375.476 2.752 20 0 GFADRO Cc1[nH]c2ncnc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)c2c1C ZINC001164977539 722120733 /nfs/dbraw/zinc/12/07/33/722120733.db2.gz NLXWIGTZPDMBIQ-RBUKOAKNSA-N 1 0 392.507 2.697 20 0 GFADRO c1cncc(C[N@@H+]2CCO[C@@H]3CN(c4nccnc4OC4CCC4)CC[C@@H]3C2)c1 ZINC001164976286 722152094 /nfs/dbraw/zinc/15/20/94/722152094.db2.gz WNDCEEXVRZFGTI-UYAOXDASSA-N 1 0 395.507 2.530 20 0 GFADRO NC(=O)c1cc(N2CCC[C@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)nc(C2CC2)n1 ZINC001164997971 722213698 /nfs/dbraw/zinc/21/36/98/722213698.db2.gz TZIIWSIUBXHDIA-QFIPXVFZSA-N 1 0 395.482 2.837 20 0 GFADRO C[NH+](C)CCOCc1ncn2c1CN(C(F)(F)c1ccnc(Cl)c1)CCC2 ZINC001165001693 722250561 /nfs/dbraw/zinc/25/05/61/722250561.db2.gz SQEWQBVYGCKZEC-UHFFFAOYSA-N 1 0 399.873 2.965 20 0 GFADRO O=S(=O)(NCCC[NH2+]Cc1cccnc1)c1cc(Cl)sc1Cl ZINC000386948909 563519353 /nfs/dbraw/zinc/51/93/53/563519353.db2.gz RLXNQLUJAJLZOL-UHFFFAOYSA-N 1 0 380.322 2.908 20 0 GFADRO C[C@@H](CC[NH3+])NC(=O)c1cc(Br)ccc1I ZINC000390295375 563522407 /nfs/dbraw/zinc/52/24/07/563522407.db2.gz ANLYOQJGZQVFGM-ZETCQYMHSA-N 1 0 397.054 2.521 20 0 GFADRO C[C@H]1C[C@H]([NH3+])CN1C(=O)Nc1nnc(-c2cccc(Br)c2)s1 ZINC000632933609 532651102 /nfs/dbraw/zinc/65/11/02/532651102.db2.gz BTDJMBRTACSYHW-KWQFWETISA-N 1 0 382.287 2.921 20 0 GFADRO NC(=O)NC(=O)OCCC[NH2+][C@H](c1cc(Cl)ccc1Cl)[C@H]1CCOC1 ZINC000359996867 212130386 /nfs/dbraw/zinc/13/03/86/212130386.db2.gz SFJFCSQNEQEXSY-HZMBPMFUSA-N 1 0 390.267 2.856 20 0 GFADRO O=C(Nc1cccc(COCC2CC2)c1)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000359956368 212128228 /nfs/dbraw/zinc/12/82/28/212128228.db2.gz KMHZEVRUNBBPKM-HXUWFJFHSA-N 1 0 385.508 2.639 20 0 GFADRO CC[N@@H+]1CCC[C@@H](CN(C)C(=O)CC[C@@H]2CC[C@@H](C)O2)[C@@H]1c1cnn(C)c1 ZINC000328632137 212087894 /nfs/dbraw/zinc/08/78/94/212087894.db2.gz RQCIMJXSOIDBNZ-QRKMNUTDSA-N 1 0 376.545 2.999 20 0 GFADRO CN1C[C@H]([NH2+]Cc2cc(Br)cc(Br)c2)CCC1=O ZINC000394541761 563530463 /nfs/dbraw/zinc/53/04/63/563530463.db2.gz WUMVHDCBCUHUCB-GFCCVEGCSA-N 1 0 376.092 2.922 20 0 GFADRO CCC[NH+]1CCC(NS(=O)(=O)c2ccc(Br)c(OC)c2)CC1 ZINC000331027731 563532030 /nfs/dbraw/zinc/53/20/30/563532030.db2.gz QEKMMZFSFYLAHD-UHFFFAOYSA-N 1 0 391.331 2.610 20 0 GFADRO C[NH2+][C@@H]1CCN(CC(=O)Nc2ccc(Br)c(C(F)(F)F)c2)C1 ZINC000430642933 563546573 /nfs/dbraw/zinc/54/65/73/563546573.db2.gz VYWBLHQJWIXGGD-SNVBAGLBSA-N 1 0 380.208 2.700 20 0 GFADRO O=S(=O)(c1ccc(Br)o1)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000408215941 563548092 /nfs/dbraw/zinc/54/80/92/563548092.db2.gz UYSJRCMEPSIGOT-LBPRGKRZSA-N 1 0 377.304 2.681 20 0 GFADRO OC[C@@H]([NH2+]Cc1ccc(I)c(Cl)c1)[C@@H]1CCCO1 ZINC000436114932 563664737 /nfs/dbraw/zinc/66/47/37/563664737.db2.gz MNLBYDHIIYYOOL-OLZOCXBDSA-N 1 0 381.641 2.574 20 0 GFADRO C[NH+](C)Cc1ccc(CNS(=O)(=O)c2cccc(Br)c2)cc1 ZINC000008060053 551102914 /nfs/dbraw/zinc/10/29/14/551102914.db2.gz QUTNEIAIIOWYRO-UHFFFAOYSA-N 1 0 383.311 2.989 20 0 GFADRO CCCC1N=NC(=S)N1CC(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000027606393 551123349 /nfs/dbraw/zinc/12/33/49/551123349.db2.gz KWDVUINWSBCRIJ-ZDUSSCGKSA-N 1 0 379.555 2.534 20 0 GFADRO C[NH+](C)CC1CCN(S(=O)(=O)c2ccc(F)cc2Br)CC1 ZINC000040692210 551134740 /nfs/dbraw/zinc/13/47/40/551134740.db2.gz DLRICOHSLQRDOF-UHFFFAOYSA-N 1 0 379.295 2.551 20 0 GFADRO C[C@H](CNS(=O)(=O)c1ccccc1Br)C[NH+]1CCCCC1 ZINC000040446436 551134963 /nfs/dbraw/zinc/13/49/63/551134963.db2.gz TVGQIZNFNXOHKN-CYBMUJFWSA-N 1 0 375.332 2.849 20 0 GFADRO CN1CCC([NH+]2CCC(NC(=O)c3ccc(Br)c(F)c3)CC2)CC1 ZINC000050797528 551161499 /nfs/dbraw/zinc/16/14/99/551161499.db2.gz LEMZPBUTMGJMSC-UHFFFAOYSA-N 1 0 398.320 2.877 20 0 GFADRO Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)NCCN1CC[NH+](C)CC1 ZINC000053718131 551167900 /nfs/dbraw/zinc/16/79/00/551167900.db2.gz WAZGDSNKXUBOOM-UHFFFAOYSA-N 1 0 378.929 2.749 20 0 GFADRO C[C@@H](CNS(=O)(=O)c1ccc(F)cc1Br)[N@@H+]1CCC[C@@H](C)C1 ZINC000055240600 551171893 /nfs/dbraw/zinc/17/18/93/551171893.db2.gz PBDJRWRFSNTQPE-NEPJUHHUSA-N 1 0 393.322 2.987 20 0 GFADRO CC[NH+]1CCN(CCNC(=O)c2csc(-c3ccc(Cl)s3)n2)CC1 ZINC000066393615 551187337 /nfs/dbraw/zinc/18/73/37/551187337.db2.gz ISCGHOUHOMCMFD-UHFFFAOYSA-N 1 0 384.958 2.892 20 0 GFADRO CCN(C1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)CC1)S(C)(=O)=O ZINC000066883798 551187705 /nfs/dbraw/zinc/18/77/05/551187705.db2.gz SPASSJAHXRXTPB-UHFFFAOYSA-N 1 0 380.432 2.831 20 0 GFADRO COCCOC[C@H]1CC[N@H+](Cc2c(Br)cc(OC)cc2OC)C1 ZINC000093754447 551195696 /nfs/dbraw/zinc/19/56/96/551195696.db2.gz KNXMXSFGZRHPRD-ZDUSSCGKSA-N 1 0 388.302 2.951 20 0 GFADRO Cc1nn(C)c(C)c1C[NH2+]CCCNC(=O)c1cccc(Br)c1 ZINC000101597306 551196999 /nfs/dbraw/zinc/19/69/99/551196999.db2.gz NVBMYVSIYYBPQV-UHFFFAOYSA-N 1 0 379.302 2.709 20 0 GFADRO C[C@@H](C(=O)NCC(=O)Nc1ccc(Br)cc1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000101647890 551197609 /nfs/dbraw/zinc/19/76/09/551197609.db2.gz SYXFTIYYRCZQCO-XQQFMLRXSA-N 1 0 382.302 2.765 20 0 GFADRO CC[N@@H+]1CCCC[C@H]1C(=O)NCCCNC(=O)c1ccc(Br)cc1 ZINC000104376864 551198377 /nfs/dbraw/zinc/19/83/77/551198377.db2.gz RPPXKZBSJHCMAY-INIZCTEOSA-N 1 0 396.329 2.560 20 0 GFADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)Nc1cccc(C2SCCS2)c1 ZINC000106580780 551200384 /nfs/dbraw/zinc/20/03/84/551200384.db2.gz DKJQXKCOLADEQX-CQSZACIVSA-N 1 0 380.583 2.923 20 0 GFADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)Nc1ccc(Br)cc1Cl ZINC000106581309 551200516 /nfs/dbraw/zinc/20/05/16/551200516.db2.gz GRONIRZSEJLBPS-NSHDSACASA-N 1 0 389.725 2.860 20 0 GFADRO O=C(c1cccc(I)c1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000110317752 551204247 /nfs/dbraw/zinc/20/42/47/551204247.db2.gz OIEHEFSOVLACMR-OAHLLOKOSA-N 1 0 384.261 2.992 20 0 GFADRO C[C@@]1(C(=O)Nc2ccc(CCn3cc(Br)cn3)cc2)CCC[NH2+]1 ZINC000120908655 551222641 /nfs/dbraw/zinc/22/26/41/551222641.db2.gz CWEHWLJYDGTUCL-KRWDZBQOSA-N 1 0 377.286 2.969 20 0 GFADRO Cc1cccc(NC2CC[NH+](CCN3CCOCC3)CC2)c1Br ZINC000121276056 551231325 /nfs/dbraw/zinc/23/13/25/551231325.db2.gz BTXZXPSRQWALFD-UHFFFAOYSA-N 1 0 382.346 2.966 20 0 GFADRO C[N@H+](CCOc1ccc(Cl)cc1Cl)C1CCN(S(C)(=O)=O)CC1 ZINC000121477033 551235334 /nfs/dbraw/zinc/23/53/34/551235334.db2.gz STWZNECCEBCJRS-UHFFFAOYSA-N 1 0 381.325 2.728 20 0 GFADRO C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1c[nH]cn1 ZINC000121776552 551242400 /nfs/dbraw/zinc/24/24/00/551242400.db2.gz IDJSXDHPSPMZJF-UHFFFAOYSA-N 1 0 391.324 2.859 20 0 GFADRO COc1ccc(I)c(NC(=O)N[C@H](C)CCCC[NH3+])c1 ZINC000415067644 563757578 /nfs/dbraw/zinc/75/75/78/563757578.db2.gz CNIRVNVWUQERGA-SNVBAGLBSA-N 1 0 391.253 2.939 20 0 GFADRO CCC[NH+]1CCN(C(=O)Nc2cc(Br)cnc2-n2cccn2)CC1 ZINC000122466060 551298374 /nfs/dbraw/zinc/29/83/74/551298374.db2.gz LKXSMVKGSQKQGL-UHFFFAOYSA-N 1 0 393.289 2.589 20 0 GFADRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)c1cc(S(C)(=O)=O)cs1 ZINC000123661249 551308156 /nfs/dbraw/zinc/30/81/56/551308156.db2.gz SUTYEWDVTSGOIE-UHFFFAOYSA-N 1 0 380.535 2.876 20 0 GFADRO CCC[NH+]1CCC(NC(=O)c2ccc(Br)cc2-n2cncn2)CC1 ZINC000123893854 551309966 /nfs/dbraw/zinc/30/99/66/551309966.db2.gz CNHBAGDBMSFPIB-UHFFFAOYSA-N 1 0 392.301 2.634 20 0 GFADRO CCO[C@@H](CC[NH+](C)C)CNC(=O)c1cc(OC)c(Br)s1 ZINC000124148529 551310689 /nfs/dbraw/zinc/31/06/89/551310689.db2.gz GTTMSCDHRRIWGV-JTQLQIEISA-N 1 0 379.320 2.606 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)C(=O)NCC[NH+]1CCCCCC1 ZINC000125509474 551322143 /nfs/dbraw/zinc/32/21/43/551322143.db2.gz DFOJSBPVENCPPR-UHFFFAOYSA-N 1 0 382.302 2.688 20 0 GFADRO COC[C@@](C)(CCO)[NH2+]Cc1cn(-c2ccc(Br)cc2)nc1C ZINC000126389210 551329286 /nfs/dbraw/zinc/32/92/86/551329286.db2.gz RUGACXCTMYDQMI-QGZVFWFLSA-N 1 0 382.302 2.820 20 0 GFADRO C[C@](O)(CNC(=O)NC1CC[NH+](Cc2ccsc2)CC1)c1ccsc1 ZINC000127108732 551336874 /nfs/dbraw/zinc/33/68/74/551336874.db2.gz RXSCEDBPCGEWMR-SFHVURJKSA-N 1 0 379.551 2.981 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)CNC(=O)c2ccc(Cl)c(Cl)c2)[C@H](C)C1 ZINC000127287323 551339492 /nfs/dbraw/zinc/33/94/92/551339492.db2.gz XXQPTSVAYIYZAT-MLGOLLRUSA-N 1 0 386.323 2.912 20 0 GFADRO CC[C@@H](C)[C@@H](C)[N@H+](CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl)C1CC1 ZINC000127306569 551339891 /nfs/dbraw/zinc/33/98/91/551339891.db2.gz LRXCSJCOLIXVCT-VXGBXAGGSA-N 1 0 387.933 2.825 20 0 GFADRO COc1cc([C@@H](C)[NH2+]CC[S@@](=O)C(C)(C)C)ccc1S(=O)(=O)C(F)F ZINC000127442806 551341095 /nfs/dbraw/zinc/34/10/95/551341095.db2.gz ZPRBVWVVWNYSIJ-JNDILOIQSA-N 1 0 397.509 2.889 20 0 GFADRO C[C@H](CC(=O)N(C)C)[NH2+]C1CCN(Cc2ccc(Br)cc2)CC1 ZINC000127489953 551341443 /nfs/dbraw/zinc/34/14/43/551341443.db2.gz SEBAXKHJYDQOJA-CQSZACIVSA-N 1 0 382.346 2.870 20 0 GFADRO Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)CN(C)[C@@H]1CCSC1 ZINC000128342293 551348906 /nfs/dbraw/zinc/34/89/06/551348906.db2.gz AWJMXWAPZIYYDH-QGZVFWFLSA-N 1 0 379.595 2.920 20 0 GFADRO CCN(CCC[NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1)S(C)(=O)=O ZINC000128333606 551349104 /nfs/dbraw/zinc/34/91/04/551349104.db2.gz ZGLMGVFIPCSHQK-UHFFFAOYSA-N 1 0 387.977 2.566 20 0 GFADRO O=C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cnn(-c2ccc(Br)cc2)c1 ZINC000129610035 551358250 /nfs/dbraw/zinc/35/82/50/551358250.db2.gz LJNLNZCWGIUHQK-YIONKMFJSA-N 1 0 375.270 2.648 20 0 GFADRO Cc1sc(C(=O)NC[C@@]2([NH+](C)C)CCC[C@H](C)C2)cc1CS(C)(=O)=O ZINC000130387995 551364155 /nfs/dbraw/zinc/36/41/55/551364155.db2.gz PEHHHMCUYHASJR-SCLBCKFNSA-N 1 0 386.583 2.841 20 0 GFADRO Cc1nccn1CCC[N@@H+](C)C[C@@H](O)COc1ccc(Br)cc1 ZINC000130568382 551366459 /nfs/dbraw/zinc/36/64/59/551366459.db2.gz VYDRAUCIYDKOPK-MRXNPFEDSA-N 1 0 382.302 2.716 20 0 GFADRO Cc1nn(C)c(Cl)c1C[NH2+]C[C@H](O)COc1ccccc1Br ZINC000131023886 551371029 /nfs/dbraw/zinc/37/10/29/551371029.db2.gz WTVZPFWPRKPHPM-NSHDSACASA-N 1 0 388.693 2.674 20 0 GFADRO C[C@H]([NH2+]C1CCN(S(C)(=O)=O)CC1)c1ccc(Br)c(F)c1 ZINC000131084813 551372222 /nfs/dbraw/zinc/37/22/22/551372222.db2.gz OMOPROPNGZGMKB-JTQLQIEISA-N 1 0 379.295 2.663 20 0 GFADRO Cc1ccc(S(=O)(=O)N(C)C2CC[NH+](CCc3ccccn3)CC2)s1 ZINC000131143963 551372845 /nfs/dbraw/zinc/37/28/45/551372845.db2.gz LYNQPUWMRQGKRH-UHFFFAOYSA-N 1 0 379.551 2.779 20 0 GFADRO C[C@H](Oc1ccc(Br)cc1)C(=O)NCCCC[N@@H+]1CCC[C@@H]1CO ZINC000131475490 551374442 /nfs/dbraw/zinc/37/44/42/551374442.db2.gz HYGOSXPJMLOQDZ-GOEBONIOSA-N 1 0 399.329 2.570 20 0 GFADRO CC[NH+](CC)CCCNC(=O)[C@@H]1CCN(c2ccccc2Br)C1=O ZINC000131587065 551375511 /nfs/dbraw/zinc/37/55/11/551375511.db2.gz PLUYJYQGOSXKAY-AWEZNQCLSA-N 1 0 396.329 2.650 20 0 GFADRO CC[NH+](CC)[C@H]1CCN(C(=O)NCCOc2ncc(Cl)cc2Cl)C1 ZINC000134866753 551386129 /nfs/dbraw/zinc/38/61/29/551386129.db2.gz ALGTTWDRADWVDX-ZDUSSCGKSA-N 1 0 375.300 2.893 20 0 GFADRO C[C@H]([NH2+]C1CCN(S(C)(=O)=O)CC1)c1cc(Br)ccc1F ZINC000149517977 551399149 /nfs/dbraw/zinc/39/91/49/551399149.db2.gz YMNNHWZMYCHMDD-JTQLQIEISA-N 1 0 379.295 2.663 20 0 GFADRO CCCC[C@@H](C[NH3+])NS(=O)(=O)c1cc(Br)ccc1OCC ZINC000150312540 551400127 /nfs/dbraw/zinc/40/01/27/551400127.db2.gz OAJHWMYHWSUOTA-LBPRGKRZSA-N 1 0 379.320 2.644 20 0 GFADRO CC[NH+](CC)[C@@H]1CCN(C(=O)Cc2cccc(I)c2)C1 ZINC000150783388 551401325 /nfs/dbraw/zinc/40/13/25/551401325.db2.gz SIOQMYCFXCTHIT-OAHLLOKOSA-N 1 0 386.277 2.776 20 0 GFADRO CC[N@H+](C)C[C@H]1CCN(C(=O)Cc2cccc(I)c2)C1 ZINC000150797084 551401642 /nfs/dbraw/zinc/40/16/42/551401642.db2.gz CREQFIYPVXSDSH-CQSZACIVSA-N 1 0 386.277 2.634 20 0 GFADRO C[NH2+][C@H]1CCCN(C(=O)CCC[S@@](=O)c2ccc(Br)cc2)C1 ZINC000150979436 551404930 /nfs/dbraw/zinc/40/49/30/551404930.db2.gz SMOMLHXDCWKLRI-FPTDNZKUSA-N 1 0 387.343 2.547 20 0 GFADRO CCO[C@H](CC[NH+](C)C)CNC(=O)c1cc(F)c(F)cc1Br ZINC000151412038 551412914 /nfs/dbraw/zinc/41/29/14/551412914.db2.gz LZIGJIUFKFWWOF-SNVBAGLBSA-N 1 0 379.245 2.814 20 0 GFADRO C[C@@H](CNC(=O)c1ccc(F)c(I)c1)[N@H+](C)C1CC1 ZINC000152042882 551425550 /nfs/dbraw/zinc/42/55/50/551425550.db2.gz BGNYOFABFSSHSU-VIFPVBQESA-N 1 0 376.213 2.643 20 0 GFADRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)NCc2ccc(O)c(Br)c2)C1 ZINC000152409193 551432375 /nfs/dbraw/zinc/43/23/75/551432375.db2.gz LHKBCYZCBWKHEB-CQSZACIVSA-N 1 0 384.318 2.932 20 0 GFADRO CCC[C@@H](O)CNC(=O)NC1CCN(Cc2ccc(Br)cc2)CC1 ZINC000152558806 551435649 /nfs/dbraw/zinc/43/56/49/551435649.db2.gz MDPFTOQXIFNMNC-QGZVFWFLSA-N 1 0 398.345 2.874 20 0 GFADRO C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)c1sccc1Br ZINC000152835175 551440466 /nfs/dbraw/zinc/44/04/66/551440466.db2.gz RKMKHWSGWKSIIZ-UHFFFAOYSA-N 1 0 382.283 2.923 20 0 GFADRO C[C@H]1CN(C(=O)Nc2cc(F)c(I)c(F)c2)CC[C@H]1[NH3+] ZINC000415127220 563760469 /nfs/dbraw/zinc/76/04/69/563760469.db2.gz VOHPPRGOEXSRLI-WRWORJQWSA-N 1 0 395.191 2.770 20 0 GFADRO Cc1ccc(Br)c(NC(=O)C(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)c1 ZINC000153136125 551447134 /nfs/dbraw/zinc/44/71/34/551447134.db2.gz YKIWTZIKAWWIPI-CQSZACIVSA-N 1 0 396.329 2.933 20 0 GFADRO CC[NH+]1CCN(CCNC(=O)CCC(=O)c2cc(Cl)sc2Cl)CC1 ZINC000153172636 551447877 /nfs/dbraw/zinc/44/78/77/551447877.db2.gz NRRUIAZKVAOBGL-UHFFFAOYSA-N 1 0 392.352 2.772 20 0 GFADRO Cc1ccc(I)cc1C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000153431307 551452392 /nfs/dbraw/zinc/45/23/92/551452392.db2.gz OZNOOQCFCPJTRT-CQSZACIVSA-N 1 0 384.261 2.814 20 0 GFADRO C[C@H]1CN(C(=O)c2cc(Cl)ccc2I)C[C@H](C)[NH2+]1 ZINC000153501542 551454223 /nfs/dbraw/zinc/45/42/23/551454223.db2.gz IASJBCFZAKWFCC-IUCAKERBSA-N 1 0 378.641 2.767 20 0 GFADRO O=C(CCCc1ccccc1Br)NCCC[NH+]1CCC(O)CC1 ZINC000153531665 551454810 /nfs/dbraw/zinc/45/48/10/551454810.db2.gz RREILLCVOZKSKQ-UHFFFAOYSA-N 1 0 383.330 2.735 20 0 GFADRO C[NH+](C)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)c(Cl)c2)C1 ZINC000153609550 551456510 /nfs/dbraw/zinc/45/65/10/551456510.db2.gz GCDJQLADEOBGTN-SNVBAGLBSA-N 1 0 381.723 2.817 20 0 GFADRO CC[N@H+](CC(C)C)[C@H](C)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000153706031 551459107 /nfs/dbraw/zinc/45/91/07/551459107.db2.gz ZXVHYPAAPXOYOE-CYBMUJFWSA-N 1 0 389.949 2.895 20 0 GFADRO CN(C(=O)c1ccn(-c2cccc(Br)c2)n1)[C@@H]1CCC[N@H+](C)C1 ZINC000153766170 551459999 /nfs/dbraw/zinc/45/99/99/551459999.db2.gz YLBYIPVOGWYMMD-OAHLLOKOSA-N 1 0 377.286 2.801 20 0 GFADRO C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+]1CC[C@]2(CCOC2)C1 ZINC000153770301 551460266 /nfs/dbraw/zinc/46/02/66/551460266.db2.gz CWTJXDXMWOLHSC-KSSFIOAISA-N 1 0 381.314 2.908 20 0 GFADRO C[C@H](CS(C)(=O)=O)N(Cc1cc(Br)cc2c1OCC2)C1CC1 ZINC000153903610 551462706 /nfs/dbraw/zinc/46/27/06/551462706.db2.gz SCEPBBAEWFPJDJ-LLVKDONJSA-N 1 0 388.327 2.782 20 0 GFADRO CC[NH+](CC)CC(=O)N1CCC(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000154206878 551469610 /nfs/dbraw/zinc/46/96/10/551469610.db2.gz AGRILDQWNJPQGW-UHFFFAOYSA-N 1 0 396.329 2.968 20 0 GFADRO C[N@H+](CC(=O)N1CCN(Cc2ccc(F)cc2Cl)CC1)[C@@H]1CCSC1 ZINC000154325206 551472174 /nfs/dbraw/zinc/47/21/74/551472174.db2.gz LBQWYXSONHOOFM-MRXNPFEDSA-N 1 0 385.936 2.561 20 0 GFADRO O=C(C[NH2+]CC1CC1)N1CCC(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000154385577 551473611 /nfs/dbraw/zinc/47/36/11/551473611.db2.gz CJVBOOZFIBESBP-UHFFFAOYSA-N 1 0 394.313 2.626 20 0 GFADRO Cc1ccc(Br)c(C(=O)NCC2CC[NH+](CCN(C)C)CC2)c1 ZINC000154675581 551480652 /nfs/dbraw/zinc/48/06/52/551480652.db2.gz GUEVZSJYBKXVSI-UHFFFAOYSA-N 1 0 382.346 2.761 20 0 GFADRO C[C@](C[NH3+])(NC(=O)c1ccc(I)c(Cl)c1)C1CC1 ZINC000154964979 551487171 /nfs/dbraw/zinc/48/71/71/551487171.db2.gz GGAYFCKDIZGBCF-CYBMUJFWSA-N 1 0 378.641 2.802 20 0 GFADRO CNC(=O)CCC[N@H+](C)Cc1ccnc(-c2ccc(Br)cc2)n1 ZINC000155226181 551494777 /nfs/dbraw/zinc/49/47/77/551494777.db2.gz HMXLBONMONWGGA-UHFFFAOYSA-N 1 0 377.286 2.864 20 0 GFADRO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CC(C)(C)N1CCOCC1 ZINC000155295206 551496789 /nfs/dbraw/zinc/49/67/89/551496789.db2.gz HKTFHCQTYDKISI-CQSZACIVSA-N 1 0 398.345 2.867 20 0 GFADRO CCOC(=O)C[C@H](NC(=O)C[C@H]1CCC[NH2+]1)c1ccc(Br)cc1 ZINC000155445901 551499755 /nfs/dbraw/zinc/49/97/55/551499755.db2.gz BHVVAHJBWIESBY-CABCVRRESA-N 1 0 383.286 2.702 20 0 GFADRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C(=O)Nc2ccc(Br)cc2)C1 ZINC000155483155 551500903 /nfs/dbraw/zinc/50/09/03/551500903.db2.gz HUZTYEOAIFBAHM-CQSZACIVSA-N 1 0 396.329 2.872 20 0 GFADRO C[C@H](CCNC(=O)CNC(=O)c1ccc(Br)cc1)[NH+]1CCCCC1 ZINC000155955467 551511494 /nfs/dbraw/zinc/51/14/94/551511494.db2.gz KBZKCFKFJHCEJC-CQSZACIVSA-N 1 0 396.329 2.560 20 0 GFADRO CC(C)[NH+](CCCNC(=O)Nc1cc(Br)c(=O)n(C)c1)C(C)C ZINC000156131907 551515286 /nfs/dbraw/zinc/51/52/86/551515286.db2.gz SOHMVMHRSGOGGY-UHFFFAOYSA-N 1 0 387.322 2.778 20 0 GFADRO COC(=O)c1cc(Cl)ccc1S(=O)(=O)NCCC[NH+]1CCC(C)CC1 ZINC000156276076 551518919 /nfs/dbraw/zinc/51/89/19/551518919.db2.gz KWCRCTWJXZCELQ-UHFFFAOYSA-N 1 0 388.917 2.527 20 0 GFADRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)S(=O)(=O)c1cc(F)ccc1Br ZINC000156345080 551520434 /nfs/dbraw/zinc/52/04/34/551520434.db2.gz HJOTTXXQJKLAPK-MFKMUULPSA-N 1 0 379.295 2.549 20 0 GFADRO C[C@H]1C[C@@H]([NH2+]CCCNC(=O)c2ccc(Br)cc2)CN1C1CC1 ZINC000156416501 551522366 /nfs/dbraw/zinc/52/23/66/551522366.db2.gz IDQJBTKFUGLWEC-XJKSGUPXSA-N 1 0 380.330 2.784 20 0 GFADRO C[C@@H]1CN(C(=O)Nc2cc(F)c(F)cc2I)[C@H](C)C[NH2+]1 ZINC000415225080 563763086 /nfs/dbraw/zinc/76/30/86/563763086.db2.gz BLTKVUKTMXEGEX-HTQZYQBOSA-N 1 0 395.191 2.784 20 0 GFADRO COC(=O)C[C@H]1CSCC[N@@H+]1C[C@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC000157017367 551532017 /nfs/dbraw/zinc/53/20/17/551532017.db2.gz FPIDIGGWXWPVGW-LSDHHAIUSA-N 1 0 377.428 2.589 20 0 GFADRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)COc2ccc(C=O)cc2Br)C1 ZINC000157150972 551533767 /nfs/dbraw/zinc/53/37/67/551533767.db2.gz LOAQQAZOKWTEQP-ZBFHGGJFSA-N 1 0 395.297 2.583 20 0 GFADRO C[C@@H](SCC[NH+](C)C)C(=O)Nc1ccc(I)cc1 ZINC000157742516 551542267 /nfs/dbraw/zinc/54/22/67/551542267.db2.gz JYYCRSJCPGAPBS-SNVBAGLBSA-N 1 0 378.279 2.913 20 0 GFADRO Cc1cc(S(=O)(=O)NCC[NH2+]Cc2cccc3cccnc32)c(C)s1 ZINC000158388394 551551243 /nfs/dbraw/zinc/55/12/43/551551243.db2.gz KIEHRBUTSQKPAB-UHFFFAOYSA-N 1 0 375.519 2.981 20 0 GFADRO O=C(CCC[S@@](=O)c1ccc(Br)cc1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000158524801 551552857 /nfs/dbraw/zinc/55/28/57/551552857.db2.gz CDGNPPHXIVYKBG-SBUREZEXSA-N 1 0 399.354 2.549 20 0 GFADRO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)c1ccc(F)cc1I ZINC000158666815 551554948 /nfs/dbraw/zinc/55/49/48/551554948.db2.gz ISSMAOQTAIGTQN-TVQRCGJNSA-N 1 0 376.213 2.678 20 0 GFADRO CC(C)[C@H]([NH3+])CNC(=O)Nc1cc(F)c(F)cc1I ZINC000415242858 563763616 /nfs/dbraw/zinc/76/36/16/563763616.db2.gz UVTDZTGQHPSJMZ-SNVBAGLBSA-N 1 0 383.180 2.674 20 0 GFADRO C[C@@H](Cn1cc(Br)cn1)[NH2+]C[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000158705091 551555750 /nfs/dbraw/zinc/55/57/50/551555750.db2.gz BGRUNOJWPWKQMY-MAUKXSAKSA-N 1 0 393.329 2.525 20 0 GFADRO O=S(=O)(NCCC[NH+]1CCC(O)CC1)c1ccc(Cl)c2ccccc21 ZINC000158994781 551559866 /nfs/dbraw/zinc/55/98/66/551559866.db2.gz UQLSDTFENWQENK-UHFFFAOYSA-N 1 0 382.913 2.618 20 0 GFADRO CCc1cc(N2CCC([NH2+][C@H](C)Cn3cc(Br)cn3)CC2)ncn1 ZINC000159068028 551560262 /nfs/dbraw/zinc/56/02/62/551560262.db2.gz LANGQFOIQDAYEU-CYBMUJFWSA-N 1 0 393.333 2.645 20 0 GFADRO C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CCN(c3cc(Cl)cc(Cl)c3)C2=O)C1 ZINC000159089992 551560805 /nfs/dbraw/zinc/56/08/05/551560805.db2.gz BOOYJJKBRGDHIN-LRDDRELGSA-N 1 0 384.307 2.804 20 0 GFADRO C[NH2+]C[C@H]1CCCN(C(=O)[C@H]2CCN(c3cc(Cl)cc(Cl)c3)C2=O)C1 ZINC000159090373 551560843 /nfs/dbraw/zinc/56/08/43/551560843.db2.gz BOOYJJKBRGDHIN-MLGOLLRUSA-N 1 0 384.307 2.804 20 0 GFADRO C[NH+](C)C[C@H](Cc1ccccc1)N[C@H](C(N)=O)c1cccc(Br)c1 ZINC000161974341 551600945 /nfs/dbraw/zinc/60/09/45/551600945.db2.gz OHUAYFOTILKDCY-ROUUACIJSA-N 1 0 390.325 2.738 20 0 GFADRO C[C@@H](C(=O)Nc1cccc(Br)c1)N1CCC(F)(F)[C@H](CO)C1 ZINC000291887490 563763715 /nfs/dbraw/zinc/76/37/15/563763715.db2.gz QNINQHSCFGZHHR-QWRGUYRKSA-N 1 0 377.229 2.726 20 0 GFADRO NC(=O)[C@@H](N[C@@H]1CC[N@H+](CC2CCCC2)C1)c1cccc(Br)c1 ZINC000162188513 551604753 /nfs/dbraw/zinc/60/47/53/551604753.db2.gz GBGRWLYKIZHZGV-SJORKVTESA-N 1 0 380.330 2.830 20 0 GFADRO COc1ccc(Br)c(S(=O)(=O)NCC2([NH3+])CCCCCC2)c1 ZINC000162900427 551614134 /nfs/dbraw/zinc/61/41/34/551614134.db2.gz LBLOSFWNZSXBFX-UHFFFAOYSA-N 1 0 391.331 2.788 20 0 GFADRO C[C@H]([NH2+]C[C@@H]1CCN(CC(F)(F)F)C1)c1ccc(NS(C)(=O)=O)cc1 ZINC000163139390 551616866 /nfs/dbraw/zinc/61/68/66/551616866.db2.gz MJENWWNDBJSEOB-STQMWFEESA-N 1 0 379.448 2.593 20 0 GFADRO CC[N@@H+]1CCCN(C(=O)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000163177932 551617172 /nfs/dbraw/zinc/61/71/72/551617172.db2.gz ZJMQUHCIJKIHJK-UHFFFAOYSA-N 1 0 377.794 2.852 20 0 GFADRO Cc1[nH]c(=O)c(C(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)cc1Br ZINC000163177769 551617239 /nfs/dbraw/zinc/61/72/39/551617239.db2.gz RBJORPQMELBLSS-CYBMUJFWSA-N 1 0 382.302 2.806 20 0 GFADRO CCS(=O)(=O)CC[NH2+][C@@H](CCCOC)c1ccc(Br)cc1 ZINC000163494389 551620065 /nfs/dbraw/zinc/62/00/65/551620065.db2.gz INIBUAFYYVJCFO-HNNXBMFYSA-N 1 0 378.332 2.941 20 0 GFADRO CCN1CC[NH+](CCCCNC(=O)[C@@H](O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000164071736 551624323 /nfs/dbraw/zinc/62/43/23/551624323.db2.gz AUQHPNRFNLNVDN-KRWDZBQOSA-N 1 0 388.339 2.561 20 0 GFADRO C[C@@H](CCNC(=O)c1csc(S(C)(=O)=O)c1)[N@H+](C)Cc1ccccc1 ZINC000164468569 551625592 /nfs/dbraw/zinc/62/55/92/551625592.db2.gz LJXQGAGIISTWAS-AWEZNQCLSA-N 1 0 380.535 2.792 20 0 GFADRO CC(C)[C@H]([NH2+][C@H]1CCc2cc(Br)ccc21)C(=O)N1CCOCC1 ZINC000164858713 551627700 /nfs/dbraw/zinc/62/77/00/551627700.db2.gz BYFCNOAINBULPL-IRXDYDNUSA-N 1 0 381.314 2.909 20 0 GFADRO COc1ccc([C@@H](C)[NH2+][C@@H](C(=O)N2CCOCC2)C(C)C)cc1Br ZINC000164841049 551627782 /nfs/dbraw/zinc/62/77/82/551627782.db2.gz QZMSWIUXKGMSNA-CXAGYDPISA-N 1 0 399.329 2.992 20 0 GFADRO [NH3+]CCCC(=O)N1CCN(c2ccc(Br)cc2C(F)(F)F)CC1 ZINC000167285176 551632799 /nfs/dbraw/zinc/63/27/99/551632799.db2.gz GAGNGQSLXRCFGJ-UHFFFAOYSA-N 1 0 394.235 2.855 20 0 GFADRO [NH3+][C@H](Cc1ccccc1)C(=O)N[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000167450735 551633325 /nfs/dbraw/zinc/63/33/25/551633325.db2.gz KRYWWCREDIZOHQ-SJLPKXTDSA-N 1 0 388.309 2.714 20 0 GFADRO C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(I)cc1Cl ZINC000170828267 551640989 /nfs/dbraw/zinc/64/09/89/551640989.db2.gz PKGZMSJMBNDQNA-SNVBAGLBSA-N 1 0 378.641 2.769 20 0 GFADRO CN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)CC[N@@H+]2CCCC2(C)C)c1 ZINC000170872819 551641459 /nfs/dbraw/zinc/64/14/59/551641459.db2.gz FRHPSKQPKFDBAH-UHFFFAOYSA-N 1 0 387.933 2.793 20 0 GFADRO COc1ccc(Br)cc1CNC(=O)N(C)CC1CC[NH+](C)CC1 ZINC000170880903 551642092 /nfs/dbraw/zinc/64/20/92/551642092.db2.gz FMGFIETVXBPKMR-UHFFFAOYSA-N 1 0 384.318 2.941 20 0 GFADRO C[N@@H+]1CCC[C@H]1CNC(=O)NC[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000171192069 551649253 /nfs/dbraw/zinc/64/92/53/551649253.db2.gz CFYKVJVJEOAYSH-YOEHRIQHSA-N 1 0 395.345 2.669 20 0 GFADRO C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000171440395 551655748 /nfs/dbraw/zinc/65/57/48/551655748.db2.gz UXRLTJFQDQCPDQ-OLZOCXBDSA-N 1 0 384.307 2.808 20 0 GFADRO Cc1ccc(I)c(C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)c1 ZINC000171454915 551656164 /nfs/dbraw/zinc/65/61/64/551656164.db2.gz VNOKIXCWPHWKJI-CYBMUJFWSA-N 1 0 384.261 2.910 20 0 GFADRO Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH2+]CCS(=O)(=O)NC(C)C ZINC000171767568 551662464 /nfs/dbraw/zinc/66/24/64/551662464.db2.gz KIAMGEIXLRFCSO-UHFFFAOYSA-N 1 0 384.933 2.560 20 0 GFADRO O=C(NCCC[NH+]1CCC(O)CC1)[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000172313245 551676165 /nfs/dbraw/zinc/67/61/65/551676165.db2.gz WPXWZPJAKOJSCR-DLBZAZTESA-N 1 0 381.314 2.516 20 0 GFADRO O=C(CN1CC[NH+](CC2CCOCC2)CC1)Nc1cccc(Cl)c1Cl ZINC000172427389 551678971 /nfs/dbraw/zinc/67/89/71/551678971.db2.gz JQRQPSHXYUANPC-UHFFFAOYSA-N 1 0 386.323 2.976 20 0 GFADRO O=C(Nc1cccc(Br)c1)C(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000172648304 551684266 /nfs/dbraw/zinc/68/42/66/551684266.db2.gz IVXYMLSBHJUDGX-UHFFFAOYSA-N 1 0 394.313 2.865 20 0 GFADRO Cc1[nH]c(=S)sc1CC(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000172850715 551688248 /nfs/dbraw/zinc/68/82/48/551688248.db2.gz LLNRMLPBRILUBW-UHFFFAOYSA-N 1 0 382.599 2.723 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N(C)CC[C@@H]([NH3+])C(C)C)c(Br)c1 ZINC000415496768 563779814 /nfs/dbraw/zinc/77/98/14/563779814.db2.gz GXTSGXRFPYSJFI-CQSZACIVSA-N 1 0 384.318 2.836 20 0 GFADRO Cc1ccc(I)c(C(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)c1 ZINC000292659681 563792850 /nfs/dbraw/zinc/79/28/50/563792850.db2.gz YKDUZLDDPRVHEE-MRXNPFEDSA-N 1 0 384.261 2.767 20 0 GFADRO CC[NH+]1CCC(CCNC(=O)C(=O)Nc2ccccc2Br)CC1 ZINC000173195792 552079313 /nfs/dbraw/zinc/07/93/13/552079313.db2.gz AEVQHDMYAVYTFH-UHFFFAOYSA-N 1 0 382.302 2.626 20 0 GFADRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)S(=O)(=O)c1ccc(Br)c(F)c1 ZINC000173248328 552081134 /nfs/dbraw/zinc/08/11/34/552081134.db2.gz GRRSWBAMUMKAGY-YGRLFVJLSA-N 1 0 379.295 2.549 20 0 GFADRO C[C@H](C(=O)NCC1([NH+](C)C)CCOCC1)c1ccc(Br)s1 ZINC000173460132 552085578 /nfs/dbraw/zinc/08/55/78/552085578.db2.gz LJLZRIFUSGWOTF-NSHDSACASA-N 1 0 375.332 2.841 20 0 GFADRO C[C@H](C(=O)NCCCC[NH+]1CCOCC1)c1ccc(Br)s1 ZINC000173529398 552087167 /nfs/dbraw/zinc/08/71/67/552087167.db2.gz LFOMIIWZNDEXJN-LBPRGKRZSA-N 1 0 375.332 2.843 20 0 GFADRO CC[NH+](CC)C[C@@H]1CCN(C(=O)c2ccc(Cl)c(NS(C)(=O)=O)c2)C1 ZINC000173586941 552088612 /nfs/dbraw/zinc/08/86/12/552088612.db2.gz KUTOQOMNHLHZCW-ZDUSSCGKSA-N 1 0 387.933 2.515 20 0 GFADRO O=S(=O)(c1ccc(Br)cc1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000173628960 552089421 /nfs/dbraw/zinc/08/94/21/552089421.db2.gz ILQICKJLHVLPSA-AWEZNQCLSA-N 1 0 387.343 2.946 20 0 GFADRO CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2ccc(C)cc2Br)C1 ZINC000173647610 552089766 /nfs/dbraw/zinc/08/97/66/552089766.db2.gz QRGSJVMWNDNLCP-CQSZACIVSA-N 1 0 396.329 2.886 20 0 GFADRO CC[N@H+](C)C[C@H]1CCN(S(=O)(=O)c2cc(Br)ccc2F)C1 ZINC000174025662 552096713 /nfs/dbraw/zinc/09/67/13/552096713.db2.gz BCCNFYOAABXNQJ-LLVKDONJSA-N 1 0 379.295 2.551 20 0 GFADRO O=C(/C=C/c1cc(Br)ccc1F)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000174162457 552100903 /nfs/dbraw/zinc/10/09/03/552100903.db2.gz KJDXRRGBRUFAAM-ZJHLSUJBSA-N 1 0 397.288 2.782 20 0 GFADRO O=C(N1CC[C@H](C[NH+]2CCOCC2)C1)C1(c2ccc(Br)cc2)CC1 ZINC000174166790 552101451 /nfs/dbraw/zinc/10/14/51/552101451.db2.gz CHYDDWIWUMQLCK-OAHLLOKOSA-N 1 0 393.325 2.661 20 0 GFADRO CC(C)C[C@@H]1CC[N@H+](CC(=O)NCC(=O)Nc2ccccc2Br)C1 ZINC000174193311 552101951 /nfs/dbraw/zinc/10/19/51/552101951.db2.gz UYDZGBWWWYGFIR-AWEZNQCLSA-N 1 0 396.329 2.872 20 0 GFADRO O=C(Cc1csc(-c2cccs2)n1)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000174187414 552101987 /nfs/dbraw/zinc/10/19/87/552101987.db2.gz XOVAGJJIPGFQFE-CQSZACIVSA-N 1 0 377.535 2.595 20 0 GFADRO O=C(NCCOc1ccc(Br)cc1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000174212014 552102553 /nfs/dbraw/zinc/10/25/53/552102553.db2.gz WCWYWBTYVWXGSA-HNNXBMFYSA-N 1 0 396.329 2.955 20 0 GFADRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2csc(I)c2)C1 ZINC000174503146 552105901 /nfs/dbraw/zinc/10/59/01/552105901.db2.gz RTINOJXPJFLRDZ-SNVBAGLBSA-N 1 0 378.279 2.767 20 0 GFADRO COC(=O)C[C@@H](NC(=O)C1CC[NH+](C)CC1)c1cccc(Br)c1 ZINC000174743981 552109206 /nfs/dbraw/zinc/10/92/06/552109206.db2.gz ACVDZPXXKDHRJS-OAHLLOKOSA-N 1 0 383.286 2.511 20 0 GFADRO CC[C@H]1CN(C(=O)Nc2ccc(F)cc2Br)CC[N@@H+]1C[C@@H](C)O ZINC000175338646 552119582 /nfs/dbraw/zinc/11/95/82/552119582.db2.gz HMGOWEXKAWITDG-YPMHNXCESA-N 1 0 388.281 2.897 20 0 GFADRO C[C@@H](CNC(=O)NC[C@H]1CCC[N@H+](C)C1)Oc1ccccc1Br ZINC000175748712 552127958 /nfs/dbraw/zinc/12/79/58/552127958.db2.gz LLOLVEJRTDWCQX-UONOGXRCSA-N 1 0 384.318 2.857 20 0 GFADRO CCC[N@H+](CC)CCNC(=O)C(=O)Nc1c(F)cc(Br)cc1F ZINC000176209443 552136698 /nfs/dbraw/zinc/13/66/98/552136698.db2.gz JQKYPYDKHCUWFS-UHFFFAOYSA-N 1 0 392.244 2.514 20 0 GFADRO CCOC[C@H]1CC[N@H+](CC(=O)Nc2ccc(I)cc2)C1 ZINC000176350032 552139614 /nfs/dbraw/zinc/13/96/14/552139614.db2.gz UYUSGLQMOJQNKW-LBPRGKRZSA-N 1 0 388.249 2.588 20 0 GFADRO O=C(NCCC[NH+]1CCCC1)C(=O)Nc1ccc(Cl)c(Br)c1 ZINC000176547623 552141508 /nfs/dbraw/zinc/14/15/08/552141508.db2.gz MAUUCUDEZDRVMV-UHFFFAOYSA-N 1 0 388.693 2.643 20 0 GFADRO C[N@@H+](Cc1csc(Br)c1)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000176632364 552142593 /nfs/dbraw/zinc/14/25/93/552142593.db2.gz NZRQTPMKXZKRPN-NSHDSACASA-N 1 0 381.361 2.614 20 0 GFADRO Cc1csc(C2([NH2+]C[C@H](O)c3ccc(S(C)(=O)=O)cc3)CCCC2)n1 ZINC000177171514 552151011 /nfs/dbraw/zinc/15/10/11/552151011.db2.gz LIUHYFDLTUUBPA-INIZCTEOSA-N 1 0 380.535 2.948 20 0 GFADRO CC[C@@H](C(=O)NCC1(c2cccc(Br)c2)CCOCC1)[NH+](C)C ZINC000177949956 552161134 /nfs/dbraw/zinc/16/11/34/552161134.db2.gz NSZFKOZEPPDGBQ-INIZCTEOSA-N 1 0 383.330 2.954 20 0 GFADRO CCC[NH+]1CCC(CNC(=O)N[C@H](CO)c2cccc(Br)c2)CC1 ZINC000178041831 552163295 /nfs/dbraw/zinc/16/32/95/552163295.db2.gz SIABILZJBWBZJJ-QGZVFWFLSA-N 1 0 398.345 2.904 20 0 GFADRO CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(F)c(I)c2)C1 ZINC000178229820 552167309 /nfs/dbraw/zinc/16/73/09/552167309.db2.gz QSYPGMUPXMTTKW-NSHDSACASA-N 1 0 376.213 2.644 20 0 GFADRO COC(=O)c1ccc(Cl)cc1S(=O)(=O)NC[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000178512266 552172060 /nfs/dbraw/zinc/17/20/60/552172060.db2.gz CERDMCSGTVWABK-STQMWFEESA-N 1 0 388.917 2.525 20 0 GFADRO C[NH+](C)C[C@](C)(O)CNC(=O)c1cc(C(F)(F)F)ccc1Br ZINC000178723176 552174452 /nfs/dbraw/zinc/17/44/52/552174452.db2.gz YJDOQTJOLJYAET-CYBMUJFWSA-N 1 0 383.208 2.510 20 0 GFADRO C[C@H]([NH3+])C1CCN(C(=O)[C@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)CC1 ZINC000178842200 552176969 /nfs/dbraw/zinc/17/69/69/552176969.db2.gz WQPSHTJXHPTSEU-SMDDNHRTSA-N 1 0 384.307 2.932 20 0 GFADRO CCCN(C(=O)c1cc(=O)[nH]c2c(Br)cccc12)[C@@H]1CC[NH2+]C1 ZINC000178937211 552179666 /nfs/dbraw/zinc/17/96/66/552179666.db2.gz SBSKQAKIBHQFFS-LLVKDONJSA-N 1 0 378.270 2.505 20 0 GFADRO C[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCCN2C(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000179013879 552182402 /nfs/dbraw/zinc/18/24/02/552182402.db2.gz KPONXXYPYBRZSI-BLLLJJGKSA-N 1 0 384.307 2.666 20 0 GFADRO CN(C(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1)[C@H]1CC[NH2+]C1 ZINC000179109797 552184440 /nfs/dbraw/zinc/18/44/40/552184440.db2.gz GJGAIIMXXVARCD-KBPBESRZSA-N 1 0 384.307 2.666 20 0 GFADRO CN(C(=O)c1nn(-c2cccc(Br)c2)c2c1CCC2)[C@H]1CC[NH2+]C1 ZINC000179125373 552184820 /nfs/dbraw/zinc/18/48/20/552184820.db2.gz UTDPBLVSMSIEGB-AWEZNQCLSA-N 1 0 389.297 2.557 20 0 GFADRO COc1cccc(C(=O)NCCN[C@H](C)c2ncc(Br)s2)c1 ZINC000179217116 552187235 /nfs/dbraw/zinc/18/72/35/552187235.db2.gz UVELMCQANGAHEF-SNVBAGLBSA-N 1 0 384.299 2.995 20 0 GFADRO COc1cccc(C(=O)NCCN[C@@H](C)c2ncc(Br)s2)c1 ZINC000179217105 552187487 /nfs/dbraw/zinc/18/74/87/552187487.db2.gz UVELMCQANGAHEF-JTQLQIEISA-N 1 0 384.299 2.995 20 0 GFADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@@H]3COc4ccc(Br)cc43)CC[C@@H]21 ZINC000179292119 552188836 /nfs/dbraw/zinc/18/88/36/552188836.db2.gz ZUMRPFMGBVIQPE-WQVCFCJDSA-N 1 0 379.298 2.868 20 0 GFADRO CC[C@@H](CO)[NH+]1CCN(C(=O)CCCc2ccccc2Br)CC1 ZINC000179406909 552192213 /nfs/dbraw/zinc/19/22/13/552192213.db2.gz FKPGGANNFHCHLJ-INIZCTEOSA-N 1 0 383.330 2.687 20 0 GFADRO C[C@@H](Cn1cc(Br)cn1)[NH2+]Cc1cccnc1OCC(F)F ZINC000179521717 552195410 /nfs/dbraw/zinc/19/54/10/552195410.db2.gz RFGFAFSNJQZWOW-JTQLQIEISA-N 1 0 375.217 2.863 20 0 GFADRO CN1C(=O)NC2(CC[NH+]([C@@H]3CCCc4ccc(Br)cc43)CC2)C1=O ZINC000179709843 552200963 /nfs/dbraw/zinc/20/09/63/552200963.db2.gz SRRKBPAWJJVPEZ-OAHLLOKOSA-N 1 0 392.297 2.843 20 0 GFADRO C[C@H](C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccc(Br)cc1 ZINC000179878175 552205898 /nfs/dbraw/zinc/20/58/98/552205898.db2.gz JTVHGTGCJHAXBH-GJZGRUSLSA-N 1 0 381.314 2.733 20 0 GFADRO COc1ccc([C@@H]([NH2+]CCCNS(C)(=O)=O)c2ccccc2Cl)cc1 ZINC000180034743 552210207 /nfs/dbraw/zinc/21/02/07/552210207.db2.gz QIRYCTWXWMBDPF-GOSISDBHSA-N 1 0 382.913 2.967 20 0 GFADRO CCn1ccnc1[C@@H](NCCOC)c1ccc(I)cc1 ZINC000180156544 552215450 /nfs/dbraw/zinc/21/54/50/552215450.db2.gz BOIPLTMXDRKQPF-AWEZNQCLSA-N 1 0 385.249 2.833 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)C(=O)N1CCC([NH2+]C(C)C)CC1 ZINC000180360916 552224210 /nfs/dbraw/zinc/22/42/10/552224210.db2.gz ZYQFKOGJSCQOAG-UHFFFAOYSA-N 1 0 382.302 2.685 20 0 GFADRO COC(=O)c1ccc(C[NH2+]CCNC(=O)c2ccc(Br)cc2)cc1 ZINC000180427061 552225840 /nfs/dbraw/zinc/22/58/40/552225840.db2.gz AVEJGWFJGGEZNV-UHFFFAOYSA-N 1 0 391.265 2.755 20 0 GFADRO Cc1cccc(S(=O)(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)c1Cl ZINC000180450117 552226006 /nfs/dbraw/zinc/22/60/06/552226006.db2.gz YJYCGCKJGUXOPQ-HZPDHXFCSA-N 1 0 386.945 2.695 20 0 GFADRO O=S(=O)(c1ccc(Cl)s1)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000180468229 552226791 /nfs/dbraw/zinc/22/67/91/552226791.db2.gz OMFHACNFXXBUFP-UHFFFAOYSA-N 1 0 392.974 2.915 20 0 GFADRO O=S(=O)(C(F)F)N1CCC(C[NH2+]C2CC(c3ccc(F)cc3)C2)CC1 ZINC000180645564 552232247 /nfs/dbraw/zinc/23/22/47/552232247.db2.gz ORWJJBAMEODOMR-UHFFFAOYSA-N 1 0 376.444 2.926 20 0 GFADRO Cc1n[nH]cc1[C@@H](C)[NH2+]CCc1ccc(S(=O)(=O)N2CCCCC2)s1 ZINC000180648546 552232534 /nfs/dbraw/zinc/23/25/34/552232534.db2.gz KTDHSGLHEMAEJI-CYBMUJFWSA-N 1 0 382.555 2.848 20 0 GFADRO O=S(=O)(C(F)F)N1CCC(C[NH2+][C@H]2CSCCc3ccccc32)CC1 ZINC000180800841 552236104 /nfs/dbraw/zinc/23/61/04/552236104.db2.gz LPSAZOZQDIBOSX-INIZCTEOSA-N 1 0 390.521 2.871 20 0 GFADRO CCN(CC)c1ncc(C[NH2+]C2CCN(S(=O)(=O)CC(C)C)CC2)s1 ZINC000181120721 552247413 /nfs/dbraw/zinc/24/74/13/552247413.db2.gz AEGAUVHIQIPNBY-UHFFFAOYSA-N 1 0 388.603 2.529 20 0 GFADRO CC[NH+](CC)CCSCC(=O)N[C@@H](CO)c1cccc(Br)c1 ZINC000181122991 552247443 /nfs/dbraw/zinc/24/74/43/552247443.db2.gz KAWLQPCYURYDIO-HNNXBMFYSA-N 1 0 389.359 2.674 20 0 GFADRO C[C@@H]([NH2+]CC(=O)NC1CCC2(CC1)OCCO2)c1ccc(Br)cc1 ZINC000181132155 552248029 /nfs/dbraw/zinc/24/80/29/552248029.db2.gz GPNBXODXDDPKEU-CYBMUJFWSA-N 1 0 397.313 2.902 20 0 GFADRO COc1ccc([C@@H](C)[NH2+]CC2(CS(C)(=O)=O)CC2)cc1Br ZINC000181224327 552250737 /nfs/dbraw/zinc/25/07/37/552250737.db2.gz BEYPXYMPNZBCMD-LLVKDONJSA-N 1 0 376.316 2.933 20 0 GFADRO COCc1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1ccc(OC)c(Br)c1)CC2 ZINC000181293884 552252600 /nfs/dbraw/zinc/25/26/00/552252600.db2.gz SRYAKTGHBIFLEM-YPMHNXCESA-N 1 0 395.301 2.861 20 0 GFADRO CCNC(=O)N1CC[C@@H]([NH2+][C@H](C)c2ccc(I)cc2)C1 ZINC000181334396 552253318 /nfs/dbraw/zinc/25/33/18/552253318.db2.gz PNOMILQTSOJMCC-BXUZGUMPSA-N 1 0 387.265 2.746 20 0 GFADRO CCNC(=O)N1CC[C@H]([NH2+][C@H](C)c2ccc(I)cc2)C1 ZINC000181334377 552253484 /nfs/dbraw/zinc/25/34/84/552253484.db2.gz PNOMILQTSOJMCC-RISCZKNCSA-N 1 0 387.265 2.746 20 0 GFADRO C[C@H]1C[C@H](NCc2ccc(Br)cc2N2CCOCC2)CC[N@@H+]1C ZINC000181458959 552256987 /nfs/dbraw/zinc/25/69/87/552256987.db2.gz OSAXTBYUFPHKPT-WMLDXEAASA-N 1 0 382.346 2.858 20 0 GFADRO C[C@H](NC(=O)c1c[nH]c(=O)c(Br)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181456159 552257045 /nfs/dbraw/zinc/25/70/45/552257045.db2.gz RLIPMONFWAUORP-NWDGAFQWSA-N 1 0 382.302 2.520 20 0 GFADRO Cc1cc(S(=O)(=O)NCC[NH2+][C@H](C)c2ccc3c(c2)OCO3)c(C)s1 ZINC000181506892 552258961 /nfs/dbraw/zinc/25/89/61/552258961.db2.gz NBUGQPOBAOYVEJ-GFCCVEGCSA-N 1 0 382.507 2.723 20 0 GFADRO C[C@H]([NH2+]C[C@H](O)CS(=O)(=O)c1cccs1)c1ccc(OC(F)F)cc1 ZINC000181635194 552263070 /nfs/dbraw/zinc/26/30/70/552263070.db2.gz UPVHBWCLZFUMRC-AAEUAGOBSA-N 1 0 391.461 2.835 20 0 GFADRO O=S(=O)(C[C@@H](O)C[NH2+][C@H]1CCSc2c(F)cccc21)c1cccs1 ZINC000181634369 552263181 /nfs/dbraw/zinc/26/31/81/552263181.db2.gz XVBDANBIARBWHM-FZMZJTMJSA-N 1 0 387.523 2.849 20 0 GFADRO C[C@@H](CCSc1ccccc1)[NH+]1CCC(N2CCS(=O)(=O)CC2)CC1 ZINC000181738299 552266476 /nfs/dbraw/zinc/26/64/76/552266476.db2.gz LVYHCGZFVSNEBK-KRWDZBQOSA-N 1 0 382.595 2.752 20 0 GFADRO COc1ccc([C@@H](C)[NH2+][C@H](C(=O)N2CCOCC2)C(C)C)c(Br)c1 ZINC000181870846 552270056 /nfs/dbraw/zinc/27/00/56/552270056.db2.gz NCBMHCIXTKHMRK-DYVFJYSZSA-N 1 0 399.329 2.992 20 0 GFADRO C[C@H](CCNC(=O)C(=O)Nc1ccccc1Br)[NH+]1CCCCC1 ZINC000182136665 552276565 /nfs/dbraw/zinc/27/65/65/552276565.db2.gz URPVZOQUWLNAAU-CYBMUJFWSA-N 1 0 382.302 2.768 20 0 GFADRO CC[C@@H](C)[C@@H](C)[NH2+]CCC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1Cl ZINC000183046084 552299026 /nfs/dbraw/zinc/29/90/26/552299026.db2.gz QVZCTSQJCCCPNT-CHWSQXEVSA-N 1 0 389.949 2.943 20 0 GFADRO CC(=O)N[C@@H](CC(=O)NCC1(C)CC[NH2+]CC1)c1ccc(Br)cc1 ZINC000183329952 552306144 /nfs/dbraw/zinc/30/61/44/552306144.db2.gz WQHYZEVUAXWBDQ-INIZCTEOSA-N 1 0 396.329 2.522 20 0 GFADRO COC(=O)CN1CCC([NH2+]CCc2cc(Cl)ccc2Br)CC1 ZINC000183346981 552306565 /nfs/dbraw/zinc/30/65/65/552306565.db2.gz VMUPQAVZRVZQMF-UHFFFAOYSA-N 1 0 389.721 2.872 20 0 GFADRO COC[C@H]([NH2+]C[C@H](O)COc1ccc(Cl)cc1Br)C1CC1 ZINC000183423661 552308594 /nfs/dbraw/zinc/30/85/94/552308594.db2.gz BIKHYYQUHAXLMQ-JSGCOSHPSA-N 1 0 378.694 2.857 20 0 GFADRO Cc1c([C@@H](C)[NH2+]CC(=O)N(C)Cc2cc(Br)cs2)cnn1C ZINC000183433239 552309363 /nfs/dbraw/zinc/30/93/63/552309363.db2.gz YIWHISOAPUUJJI-SNVBAGLBSA-N 1 0 385.331 2.862 20 0 GFADRO Cc1cc(NC(=O)CNC(=O)c2c[nH+]ccc2N(C)C)ccc1Br ZINC000183482325 552310654 /nfs/dbraw/zinc/31/06/54/552310654.db2.gz WVURQGVDICHWIM-UHFFFAOYSA-N 1 0 391.269 2.587 20 0 GFADRO CN(C)C(=O)[C@@H]1CC[C@H](C[NH2+][C@@H]2CCCOc3ccc(Br)cc32)O1 ZINC000183469418 552310725 /nfs/dbraw/zinc/31/07/25/552310725.db2.gz ASELNFLFASXGSW-UNEWFSDZSA-N 1 0 397.313 2.888 20 0 GFADRO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1ccc(Cl)cc1OC(F)F ZINC000183523073 552311939 /nfs/dbraw/zinc/31/19/39/552311939.db2.gz QIDAAOZVFVDQFH-SNVBAGLBSA-N 1 0 377.819 2.726 20 0 GFADRO CC(C)(C)[C@H](CCO)[NH2+]CC(=O)Nc1ccc(I)cc1 ZINC000183660310 552315896 /nfs/dbraw/zinc/31/58/96/552315896.db2.gz BTSSRDZQMUSAPV-ZDUSSCGKSA-N 1 0 390.265 2.616 20 0 GFADRO O[C@H]1C[C@H](C[NH2+]Cc2cncc(Br)c2)N(Cc2ccccc2)C1 ZINC000183756292 552318444 /nfs/dbraw/zinc/31/84/44/552318444.db2.gz SZJAGSQAUVSORN-MSOLQXFVSA-N 1 0 376.298 2.569 20 0 GFADRO O=C(NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1nc(Cl)ccc1Cl ZINC000183779160 552319261 /nfs/dbraw/zinc/31/92/61/552319261.db2.gz YVKJXHGPYRRPHW-CQSZACIVSA-N 1 0 380.275 2.885 20 0 GFADRO OC[C@@H]([NH2+]C[C@H](O)COc1ccc(F)cc1)c1cccc(Br)c1 ZINC000183884376 552321485 /nfs/dbraw/zinc/32/14/85/552321485.db2.gz BIZNKUZPKVEKTJ-DOTOQJQBSA-N 1 0 384.245 2.651 20 0 GFADRO OC[C@@H]([NH2+]C[C@H](O)COCc1ccccc1)c1cccc(Br)c1 ZINC000183902628 552321916 /nfs/dbraw/zinc/32/19/16/552321916.db2.gz CGQZFWDLUUCULZ-ZWKOTPCHSA-N 1 0 380.282 2.650 20 0 GFADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)c1cc2c(cccc2Br)[nH]1 ZINC000184072294 552326922 /nfs/dbraw/zinc/32/69/22/552326922.db2.gz QBKMHARHUZONLY-CYBMUJFWSA-N 1 0 393.329 2.686 20 0 GFADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)c1cc2ccc(Br)cc2[nH]1 ZINC000184063168 552326938 /nfs/dbraw/zinc/32/69/38/552326938.db2.gz XJJTVXMLVXDYPX-CYBMUJFWSA-N 1 0 393.329 2.686 20 0 GFADRO C[C@@H]([NH2+][C@H](C)c1cc2ccccc2s1)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000184351702 552333393 /nfs/dbraw/zinc/33/33/93/552333393.db2.gz HTJZIGFZDVNDLD-UMVBOHGHSA-N 1 0 380.535 2.586 20 0 GFADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)c1cccc(Br)c1Cl ZINC000184380008 552333968 /nfs/dbraw/zinc/33/39/68/552333968.db2.gz ZNBGIKDUPHKKTJ-GFCCVEGCSA-N 1 0 388.737 2.858 20 0 GFADRO CS[C@H](CO)[C@@H](C)[NH2+]Cc1cc(Br)cc(Br)c1N ZINC000185838062 552372137 /nfs/dbraw/zinc/37/21/37/552372137.db2.gz ZZUKVUUOWLUABU-RDDDGLTNSA-N 1 0 398.164 2.996 20 0 GFADRO O=S(=O)(c1ccc(Br)cc1F)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000184894303 552347261 /nfs/dbraw/zinc/34/72/61/552347261.db2.gz JUGPPGGJEIUVQK-LBPRGKRZSA-N 1 0 391.306 2.695 20 0 GFADRO CC[NH+]1CCN([C@H]2CCN(Cc3nc4cc(Br)ccc4[nH]3)C2)CC1 ZINC000184969371 552349261 /nfs/dbraw/zinc/34/92/61/552349261.db2.gz DHPVBOAKJSLMQB-HNNXBMFYSA-N 1 0 392.345 2.537 20 0 GFADRO COc1cccc(OC)c1S(=O)(=O)N(CC[NH+](C)C)Cc1cccs1 ZINC000185107606 552354605 /nfs/dbraw/zinc/35/46/05/552354605.db2.gz VNYIYKRNWREXNR-UHFFFAOYSA-N 1 0 384.523 2.518 20 0 GFADRO C[C@H](c1cccc(N2CCCS2(=O)=O)c1)[N@H+](C)CCOCC(F)(F)F ZINC000186277259 552383777 /nfs/dbraw/zinc/38/37/77/552383777.db2.gz HRGBUOJCGIKCDE-CYBMUJFWSA-N 1 0 380.432 2.798 20 0 GFADRO C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000186523639 552390359 /nfs/dbraw/zinc/39/03/59/552390359.db2.gz OEOLOYSWRLGLKG-NWDGAFQWSA-N 1 0 384.307 2.855 20 0 GFADRO CCc1c(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)cnn1-c1ccc(Br)cc1 ZINC000186673153 552394676 /nfs/dbraw/zinc/39/46/76/552394676.db2.gz LQZIUIIKTTYLSW-BLLLJJGKSA-N 1 0 391.313 2.925 20 0 GFADRO CSCCCCC[NH2+][C@@H](C)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000186773264 552397582 /nfs/dbraw/zinc/39/75/82/552397582.db2.gz SHMMZSHKIUNXRK-INIZCTEOSA-N 1 0 386.583 2.891 20 0 GFADRO C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)N(C)CC[N@H+](C)C1CC1 ZINC000186778468 552397638 /nfs/dbraw/zinc/39/76/38/552397638.db2.gz DYLGXNGCHZELAE-CQSZACIVSA-N 1 0 382.346 2.822 20 0 GFADRO C[C@H]1C[N@H+](CCCOc2cccc(I)c2)CC[C@@H]1O ZINC000186815419 552398354 /nfs/dbraw/zinc/39/83/54/552398354.db2.gz QGIOWROZPYEQPG-WFASDCNBSA-N 1 0 375.250 2.763 20 0 GFADRO CCCOc1c(Br)cc(C(=O)N[C@H]2C[NH2+]CC[C@H]2C)cc1OC ZINC000186834366 552398810 /nfs/dbraw/zinc/39/88/10/552398810.db2.gz ZGZHXXPYSBAZPE-RISCZKNCSA-N 1 0 385.302 2.974 20 0 GFADRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)c1cc2c(cccc2Br)[nH]1 ZINC000186880152 552400302 /nfs/dbraw/zinc/40/03/02/552400302.db2.gz SZNRPTDDOBBGTR-GFCCVEGCSA-N 1 0 394.313 2.848 20 0 GFADRO CN(CC1([NH+](C)C)CCC1)C(=O)Cc1cc2c(cc1Br)OCCO2 ZINC000186989012 552403696 /nfs/dbraw/zinc/40/36/96/552403696.db2.gz IJROWBDBKCEINA-UHFFFAOYSA-N 1 0 397.313 2.706 20 0 GFADRO C[C@@H]([NH2+]C[C@@H](O)COc1cccc(Cl)c1Cl)C1CCS(=O)(=O)CC1 ZINC000187064094 552405898 /nfs/dbraw/zinc/40/58/98/552405898.db2.gz QWCNTYZHHPNIDI-DGCLKSJQSA-N 1 0 396.336 2.536 20 0 GFADRO C[C@H]([NH2+]CCc1cc(Br)ccc1F)C1CCS(=O)(=O)CC1 ZINC000187067649 552406140 /nfs/dbraw/zinc/40/61/40/552406140.db2.gz PLDLOXOMEJCZAF-NSHDSACASA-N 1 0 378.307 2.934 20 0 GFADRO CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]CCCOC[C@@H]1CCOC1 ZINC000187259613 552411026 /nfs/dbraw/zinc/41/10/26/552411026.db2.gz YXQGGYRORTUIBA-AWEZNQCLSA-N 1 0 375.918 2.666 20 0 GFADRO Cc1cc(N2CC[NH+](CCC(=O)Nc3ccccc3Br)CC2)n[nH]1 ZINC000187274044 552411134 /nfs/dbraw/zinc/41/11/34/552411134.db2.gz AYKPGZLHPPSVCG-UHFFFAOYSA-N 1 0 392.301 2.631 20 0 GFADRO CCS(=O)(=O)c1c(Cl)cccc1C[NH2+][C@@H]1CCN(c2ccccn2)C1 ZINC000187336592 552412953 /nfs/dbraw/zinc/41/29/53/552412953.db2.gz SWIZODQQZMLUCY-OAHLLOKOSA-N 1 0 379.913 2.897 20 0 GFADRO Cc1cc(C)c(NC(=O)N2CC[N@@H+](C[C@@H](C)O)[C@@H](C)C2)cc1Br ZINC000187524333 552417858 /nfs/dbraw/zinc/41/78/58/552417858.db2.gz WAMPZDYULGPTCR-UONOGXRCSA-N 1 0 384.318 2.985 20 0 GFADRO C[C@H](C[NH+]1CCCCCC1)NC(=O)Nc1cc(Br)c(=O)n(C)c1 ZINC000187539039 552418394 /nfs/dbraw/zinc/41/83/94/552418394.db2.gz GULUDNJYZUXUJW-GFCCVEGCSA-N 1 0 385.306 2.534 20 0 GFADRO C[NH+](C)C1CCN(C(=O)C(=O)Nc2cc(Cl)cc(C(F)(F)F)c2)CC1 ZINC000187604751 552420145 /nfs/dbraw/zinc/42/01/45/552420145.db2.gz WLNSFHTWEAPBJG-UHFFFAOYSA-N 1 0 377.794 2.850 20 0 GFADRO CCO[C@@H]1C[C@@]([NH3+])(C(=O)N2CCC(C(F)(F)F)(C(F)(F)F)C2)C1(C)C ZINC000187823844 552425365 /nfs/dbraw/zinc/42/53/65/552425365.db2.gz NCHQMJPHMZWLPH-NOZJJQNGSA-N 1 0 376.341 2.862 20 0 GFADRO O=C(NCc1c(F)cc(Br)cc1F)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000187875860 552427183 /nfs/dbraw/zinc/42/71/83/552427183.db2.gz RSHJDCMLFDHXPQ-LBPRGKRZSA-N 1 0 386.240 2.883 20 0 GFADRO C[C@@H]1CC[C@](CO)([N@H+](C)CC(=O)N(C)Cc2ccccc2Br)C1 ZINC000188034782 552432447 /nfs/dbraw/zinc/43/24/47/552432447.db2.gz IWCGHAPVDNZLJP-KDOFPFPSSA-N 1 0 383.330 2.890 20 0 GFADRO C[C@@H]1C[N@@H+](C2CCN(C(=O)Cc3ccc(F)cc3Br)CC2)CCO1 ZINC000188066616 552433325 /nfs/dbraw/zinc/43/33/25/552433325.db2.gz HXLSHMYQRVOQII-CYBMUJFWSA-N 1 0 399.304 2.842 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)cc1Br ZINC000188124244 552435953 /nfs/dbraw/zinc/43/59/53/552435953.db2.gz SIDASSWGIKQTHP-KBPBESRZSA-N 1 0 396.329 2.993 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)cc1Br ZINC000188124294 552436028 /nfs/dbraw/zinc/43/60/28/552436028.db2.gz SIDASSWGIKQTHP-UONOGXRCSA-N 1 0 396.329 2.993 20 0 GFADRO C[C@@]1(c2ccccc2)CC[C@@H]([NH2+]C[C@H](O)CS(=O)(=O)c2cccs2)C1 ZINC000188264955 552441006 /nfs/dbraw/zinc/44/10/06/552441006.db2.gz DZSPMKOVUBHYHZ-ZIFCJYIRSA-N 1 0 379.547 2.983 20 0 GFADRO O=C(NCC[N@@H+]1CCCOCC1)Nc1c(F)cc(Br)cc1F ZINC000188338365 552442734 /nfs/dbraw/zinc/44/27/34/552442734.db2.gz HXETUQZMRUMFQF-UHFFFAOYSA-N 1 0 378.217 2.571 20 0 GFADRO C[C@@H]1CN(C(=O)c2cccc(NC(=O)c3ccc(Br)o3)c2)CC[NH2+]1 ZINC000188475055 552445946 /nfs/dbraw/zinc/44/59/46/552445946.db2.gz NUEMSYOBTSTXPB-LLVKDONJSA-N 1 0 392.253 2.728 20 0 GFADRO C[NH+](C)CCOc1cc(CNC(=O)Nc2cccc(Br)n2)ccn1 ZINC000188614163 552449994 /nfs/dbraw/zinc/44/99/94/552449994.db2.gz KZCSMFWRXYNUQZ-UHFFFAOYSA-N 1 0 394.273 2.501 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N(C)C[C@H]2CCC[N@H+](C)C2)cc1Br ZINC000188904010 552457803 /nfs/dbraw/zinc/45/78/03/552457803.db2.gz BHDHMFQHPRQYTC-AWEZNQCLSA-N 1 0 396.329 2.805 20 0 GFADRO Fc1cc(Br)cc(OCC[N@@H+]2CC[C@H](CN3CCOCC3)C2)c1 ZINC000189037233 552461345 /nfs/dbraw/zinc/46/13/45/552461345.db2.gz DXAKFCBFHKMDBO-AWEZNQCLSA-N 1 0 387.293 2.621 20 0 GFADRO Cc1ccc(S(=O)(=O)NCc2ccc3c(c2)C[NH2+]C3)c(Br)c1 ZINC000189212365 552466132 /nfs/dbraw/zinc/46/61/32/552466132.db2.gz AOIYIDZBAACLIS-UHFFFAOYSA-N 1 0 381.295 2.839 20 0 GFADRO C[C@H](O)C[NH+]1CCN(Cc2csc(COc3ccc(Cl)cc3)n2)CC1 ZINC000189386772 552470336 /nfs/dbraw/zinc/47/03/36/552470336.db2.gz ZITCMCNQUOFNIJ-AWEZNQCLSA-N 1 0 381.929 2.874 20 0 GFADRO O=C1CNC(=O)N1CCC[NH+]1CCC(c2ccccc2Br)CC1 ZINC000189814692 552480403 /nfs/dbraw/zinc/48/04/03/552480403.db2.gz ZAJKGVMDKABYMY-UHFFFAOYSA-N 1 0 380.286 2.570 20 0 GFADRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)Nc2ccc(Cl)c(S(C)(=O)=O)c2)C1 ZINC000189889466 552482384 /nfs/dbraw/zinc/48/23/84/552482384.db2.gz BHAUHXCVEPLUTQ-CYBMUJFWSA-N 1 0 387.933 2.843 20 0 GFADRO C[C@@H](C(=O)Nc1cccc(Br)c1)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000189900008 552482420 /nfs/dbraw/zinc/48/24/20/552482420.db2.gz VHGBNWNQDNMFES-KBPBESRZSA-N 1 0 398.345 2.553 20 0 GFADRO O=C(Nc1ccc(Br)cc1F)C(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000190010028 552485117 /nfs/dbraw/zinc/48/51/17/552485117.db2.gz FXCOKAQACXOSBD-ZDUSSCGKSA-N 1 0 398.276 2.614 20 0 GFADRO CCCN(CCC[NH+](C)C)C(=O)C(=O)Nc1ccc(Br)c(C)c1 ZINC000190158795 552489326 /nfs/dbraw/zinc/48/93/26/552489326.db2.gz QOBIGPFMCIZCJE-UHFFFAOYSA-N 1 0 384.318 2.886 20 0 GFADRO C[C@@H](CNC(=O)C(=O)Nc1cc(Cl)c(F)c(Cl)c1)C[NH+]1CCCC1 ZINC000190369414 552494464 /nfs/dbraw/zinc/49/44/64/552494464.db2.gz MOTVYTKRTABQTL-JTQLQIEISA-N 1 0 376.259 2.919 20 0 GFADRO CS(=O)(=O)CCOCC[NH2+][C@H](c1ccc(Br)s1)C1CC1 ZINC000190638010 552504190 /nfs/dbraw/zinc/50/41/90/552504190.db2.gz AMLMTPHSPPJCPN-ZDUSSCGKSA-N 1 0 382.345 2.613 20 0 GFADRO COCCN(CC[NH+](C)C)C(=O)Nc1cc(F)cc(F)c1Br ZINC000190667065 552505205 /nfs/dbraw/zinc/50/52/05/552505205.db2.gz DGYQHKQXDKNFNU-UHFFFAOYSA-N 1 0 380.233 2.769 20 0 GFADRO CCS(=O)(=O)N1CC(C[NH2+][C@@H](c2ccc(Br)s2)C2CC2)C1 ZINC000190665644 552505405 /nfs/dbraw/zinc/50/54/05/552505405.db2.gz IUPYCHDZWGQHQH-CQSZACIVSA-N 1 0 393.372 2.833 20 0 GFADRO CCS(=O)(=O)N1CC(C[NH2+][C@H]2C[C@@H](C)c3c2cccc3Br)C1 ZINC000190693620 552506669 /nfs/dbraw/zinc/50/66/69/552506669.db2.gz MZZMUKKKIJRKOW-ABAIWWIYSA-N 1 0 387.343 2.869 20 0 GFADRO O=S(=O)(c1cc(Cl)c(Br)cc1F)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000190718998 552507152 /nfs/dbraw/zinc/50/71/52/552507152.db2.gz MBPWLJKJJBROLT-SECBINFHSA-N 1 0 397.697 2.710 20 0 GFADRO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)Nc1cc(Br)c(F)cc1F ZINC000190766344 552508503 /nfs/dbraw/zinc/50/85/03/552508503.db2.gz PKVSTRCWNJEXQY-SECBINFHSA-N 1 0 392.244 2.512 20 0 GFADRO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1cc(Br)c(F)cc1F ZINC000190836954 552510517 /nfs/dbraw/zinc/51/05/17/552510517.db2.gz DTLVEFPYQGOCNL-SECBINFHSA-N 1 0 392.244 2.512 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)cc1Br ZINC000190833896 552510585 /nfs/dbraw/zinc/51/05/85/552510585.db2.gz UTDDZUUEFXMQQG-BBRMVZONSA-N 1 0 396.329 2.803 20 0 GFADRO C[C@H]1CCC[N@H+](CCNC(=O)Cc2ccc(I)cc2)C1 ZINC000190889062 552512789 /nfs/dbraw/zinc/51/27/89/552512789.db2.gz WNEMRZKIOCSWTH-ZDUSSCGKSA-N 1 0 386.277 2.682 20 0 GFADRO C[NH+]1CCN(Cc2ccc(NC(=O)c3cscn3)cc2Br)CC1 ZINC000191084897 552518467 /nfs/dbraw/zinc/51/84/67/552518467.db2.gz UPGWQPRCBNQZMI-UHFFFAOYSA-N 1 0 395.326 2.905 20 0 GFADRO Cn1cc(N2CC[C@H]([NH2+]Cc3cc(Br)c(Cl)s3)C2=O)cn1 ZINC000191114753 552519165 /nfs/dbraw/zinc/51/91/65/552519165.db2.gz FVUYWTNMVNKXQM-NSHDSACASA-N 1 0 389.706 2.793 20 0 GFADRO C[C@@H](CNC(=O)c1nc(Br)ccc1Br)[N@H+](C)C1CC1 ZINC000191149956 552520452 /nfs/dbraw/zinc/52/04/52/552520452.db2.gz PHLXFSGAWJNKDL-QMMMGPOBSA-N 1 0 391.107 2.819 20 0 GFADRO CC(C)[C@](C)([NH2+]Cc1cn(C)c(=O)n(C)c1=O)c1ccc(Br)cc1 ZINC000191667547 552534803 /nfs/dbraw/zinc/53/48/03/552534803.db2.gz JULBKLSAROCFHO-SFHVURJKSA-N 1 0 394.313 2.508 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cccc(Cl)c1Br ZINC000192031916 552546873 /nfs/dbraw/zinc/54/68/73/552546873.db2.gz MOYQURXQVNKBJN-JTQLQIEISA-N 1 0 388.693 2.642 20 0 GFADRO CN(CC1([NH+](C)C)CCC1)C(=O)Cc1ccc(I)cc1 ZINC000192093742 552550462 /nfs/dbraw/zinc/55/04/62/552550462.db2.gz GGCMUBJDLICNKL-UHFFFAOYSA-N 1 0 386.277 2.776 20 0 GFADRO Cn1nc(Br)cc1C(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000192127468 552552578 /nfs/dbraw/zinc/55/25/78/552552578.db2.gz UVAHHZCWTPDOMI-AWEZNQCLSA-N 1 0 377.286 2.750 20 0 GFADRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cc(Br)nn1C ZINC000192143070 552553021 /nfs/dbraw/zinc/55/30/21/552553021.db2.gz QGRPEZSTUFVKBE-HNNXBMFYSA-N 1 0 391.313 2.777 20 0 GFADRO COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000192169092 552554856 /nfs/dbraw/zinc/55/48/56/552554856.db2.gz LWWRAIOEISFNOE-LLVKDONJSA-N 1 0 388.295 2.741 20 0 GFADRO CS(=O)(=O)N[C@H]1CCC[C@H]1C[NH2+]Cc1ccc(Br)c(Cl)c1 ZINC000192197895 552555751 /nfs/dbraw/zinc/55/57/51/552555751.db2.gz JXEMXMOZIMGPAB-FZMZJTMJSA-N 1 0 395.750 2.910 20 0 GFADRO COC(=O)CC[N@H+](CCCN1CCOCC1)Cc1cccc(Br)c1 ZINC000192330441 552560514 /nfs/dbraw/zinc/56/05/14/552560514.db2.gz ROPQNZVQHQFOAS-UHFFFAOYSA-N 1 0 399.329 2.537 20 0 GFADRO COC(=O)c1cccc(NC(=O)NCCCn2ccnc2)c1Br ZINC000192423867 552563150 /nfs/dbraw/zinc/56/31/50/552563150.db2.gz JUAIMBLGGQMGTR-UHFFFAOYSA-N 1 0 381.230 2.644 20 0 GFADRO Cc1c[nH+]ccc1NC[C@H](O)COc1ccc(I)cc1 ZINC000192559820 552566959 /nfs/dbraw/zinc/56/69/59/552566959.db2.gz YLBSKKSFGKMWMQ-ZDUSSCGKSA-N 1 0 384.217 2.846 20 0 GFADRO COc1cc(Cl)c(S(=O)(=O)NCCC[NH+]2CCC(C)CC2)cc1OC ZINC000192775372 552973361 /nfs/dbraw/zinc/97/33/61/552973361.db2.gz KEUGWDOIWWCPDE-UHFFFAOYSA-N 1 0 390.933 2.758 20 0 GFADRO CC(C)(COc1ncccc1Br)NC(=O)C1CC[NH+](C2CC2)CC1 ZINC000192764826 552973597 /nfs/dbraw/zinc/97/35/97/552973597.db2.gz ZEMIPQAUQVWVRY-UHFFFAOYSA-N 1 0 396.329 2.992 20 0 GFADRO C[C@@H]1CCCC[C@]1(C[NH3+])NS(=O)(=O)Cc1ccc(Br)cc1 ZINC000193038644 552981164 /nfs/dbraw/zinc/98/11/64/552981164.db2.gz QBPIUMPLMPKLEM-IUODEOHRSA-N 1 0 375.332 2.776 20 0 GFADRO C[C@@H]1C[NH+](CCCNC(=O)COc2c(Cl)cccc2Cl)C[C@@H](C)O1 ZINC000193122259 552983992 /nfs/dbraw/zinc/98/39/92/552983992.db2.gz VWBOHRFVOASZBB-CHWSQXEVSA-N 1 0 375.296 2.988 20 0 GFADRO COc1ccc([C@H](C)[NH2+]CC(=O)Nc2cc(C)nn2C)cc1Br ZINC000193150266 552984460 /nfs/dbraw/zinc/98/44/60/552984460.db2.gz MXZGOLSTLVNZFI-NSHDSACASA-N 1 0 381.274 2.789 20 0 GFADRO [NH3+]C1CCN(S(=O)(=O)c2cc(C(F)(F)F)ccc2Br)CC1 ZINC000193222701 552986907 /nfs/dbraw/zinc/98/69/07/552986907.db2.gz CREHKQVWCVNETN-UHFFFAOYSA-N 1 0 387.221 2.580 20 0 GFADRO C[C@H]([NH3+])CCNS(=O)(=O)c1ccc(Br)c(Cl)c1Cl ZINC000193254417 552987963 /nfs/dbraw/zinc/98/79/63/552987963.db2.gz SJFRZCNKJFEJPJ-LURJTMIESA-N 1 0 376.103 2.772 20 0 GFADRO CCC[NH2+]CCNS(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCCCO1 ZINC000193344234 552990726 /nfs/dbraw/zinc/99/07/26/552990726.db2.gz WYNVGBLZCLNHHF-HNNXBMFYSA-N 1 0 390.933 2.566 20 0 GFADRO Cc1cc(NC(=O)C(=O)NCCC[NH+](C(C)C)C(C)C)ncc1Br ZINC000193412884 552992763 /nfs/dbraw/zinc/99/27/63/552992763.db2.gz UNAGASGTMRAKRA-UHFFFAOYSA-N 1 0 399.333 2.716 20 0 GFADRO C[NH+](C)CC1CCC(NC(=O)[C@H]2Cc3cc(Br)ccc3O2)CC1 ZINC000193604868 552998187 /nfs/dbraw/zinc/99/81/87/552998187.db2.gz ZEOMGFYMUPTXBZ-MWHAMWOXSA-N 1 0 381.314 2.989 20 0 GFADRO O[C@@H](C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2)COc1ccccc1Br ZINC000194114500 553012389 /nfs/dbraw/zinc/01/23/89/553012389.db2.gz CENJCCMACWOBBZ-NSNWQYSKSA-N 1 0 382.298 2.736 20 0 GFADRO CC[NH+]1CCC(CCNC(=O)[C@H]2Cc3cc(Br)ccc3O2)CC1 ZINC000194353294 553018767 /nfs/dbraw/zinc/01/87/67/553018767.db2.gz KWBBLSOEQPEZKV-QGZVFWFLSA-N 1 0 381.314 2.991 20 0 GFADRO C[NH+]1CCC(NC(=O)N2CCO[C@@H](c3cccc(Br)c3)C2)CC1 ZINC000194527470 553023083 /nfs/dbraw/zinc/02/30/83/553023083.db2.gz FFQNYKADFIKLBW-MRXNPFEDSA-N 1 0 382.302 2.626 20 0 GFADRO COCC[N@H+](C)CCNC(=O)Cc1csc(Cc2cccc(Cl)c2)n1 ZINC000194532837 553023170 /nfs/dbraw/zinc/02/31/70/553023170.db2.gz GXHJEEIFYPXTPC-UHFFFAOYSA-N 1 0 381.929 2.624 20 0 GFADRO C[C@@H]1C[N@@H+](C2CCN(C(=O)Cc3cccc(Br)c3)CC2)CCO1 ZINC000194826515 553031360 /nfs/dbraw/zinc/03/13/60/553031360.db2.gz QNSAYSGBSICPAM-CQSZACIVSA-N 1 0 381.314 2.703 20 0 GFADRO O=C(C[NH2+]C1(c2ccc(Br)cc2)CC1)NC(=O)NCc1ccco1 ZINC000195227975 553041935 /nfs/dbraw/zinc/04/19/35/553041935.db2.gz UUPWHBWRDVJZLI-UHFFFAOYSA-N 1 0 392.253 2.647 20 0 GFADRO C[C@H]1CCC[N@H+](CCNC(=O)C[C@@H]2Sc3ccc(Cl)cc3NC2=O)C1 ZINC000226500640 553061659 /nfs/dbraw/zinc/06/16/59/553061659.db2.gz CAMXNIMUMDBXBK-LRDDRELGSA-N 1 0 381.929 2.991 20 0 GFADRO C[N@@H+]1CCC[C@@H]2CN(S(=O)(=O)c3ccc(Br)s3)CC[C@H]21 ZINC000227346426 553062824 /nfs/dbraw/zinc/06/28/24/553062824.db2.gz GPQIDCKGAMRXFY-GHMZBOCLSA-N 1 0 379.345 2.615 20 0 GFADRO O=S1(=O)CC[C@@H]([NH2+]Cc2ccc(OC(F)(F)F)c(Br)c2)C1 ZINC000229684702 553064542 /nfs/dbraw/zinc/06/45/42/553064542.db2.gz YQZZSEKQSDOZBK-SECBINFHSA-N 1 0 388.205 2.624 20 0 GFADRO C[C@@H](CS(C)(=O)=O)[NH2+]Cc1ccc(OC(F)(F)F)c(Br)c1 ZINC000229687908 553064564 /nfs/dbraw/zinc/06/45/64/553064564.db2.gz SAZHNPVYZSVTMI-QMMMGPOBSA-N 1 0 390.221 2.870 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)N1CCCC[C@H]1C[NH3+] ZINC000236827785 553071646 /nfs/dbraw/zinc/07/16/46/553071646.db2.gz DNKRJJXYYRZFHG-CABCVRRESA-N 1 0 384.567 2.691 20 0 GFADRO CC(C)[C@@H]([NH3+])CCN(C)S(=O)(=O)c1cc(Br)c(F)cc1F ZINC000236799778 553071672 /nfs/dbraw/zinc/07/16/72/553071672.db2.gz ARYXHSLIVBWZNA-LBPRGKRZSA-N 1 0 385.274 2.721 20 0 GFADRO CCN(CCOc1ccc(Br)cc1)C(=O)C[C@@H]1CSCC[NH2+]1 ZINC000236885322 553072597 /nfs/dbraw/zinc/07/25/97/553072597.db2.gz KFCSWTYJJQETKL-CQSZACIVSA-N 1 0 387.343 2.772 20 0 GFADRO CC[C@H](C)[C@@H]([NH3+])C(=O)N1CCC(C(=O)Nc2ccccc2Br)CC1 ZINC000237042585 553073736 /nfs/dbraw/zinc/07/37/36/553073736.db2.gz XKGPDSCOFXSIBQ-BLLLJJGKSA-N 1 0 396.329 3.000 20 0 GFADRO C[NH2+]CC1CCN(C(=O)c2cnn(-c3cccc(Br)c3)c2)CC1 ZINC000237093702 553074413 /nfs/dbraw/zinc/07/44/13/553074413.db2.gz OEAHVESWQQQKRO-UHFFFAOYSA-N 1 0 377.286 2.706 20 0 GFADRO COCC[C@H](Cc1cccc(Br)c1)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000237117969 553074723 /nfs/dbraw/zinc/07/47/23/553074723.db2.gz XMEVFPFFWZRIIT-JKSUJKDBSA-N 1 0 383.330 2.760 20 0 GFADRO CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)[C@]1(C)CC[NH2+]C1 ZINC000237103937 553075040 /nfs/dbraw/zinc/07/50/40/553075040.db2.gz DOCPHUAQBRDXSH-OAHLLOKOSA-N 1 0 377.794 2.755 20 0 GFADRO COC(=O)C[C@@H](NC(=O)CCC1CC[NH2+]CC1)c1cccc(Br)c1 ZINC000237204671 553075957 /nfs/dbraw/zinc/07/59/57/553075957.db2.gz COCLNZLVDIYXKQ-MRXNPFEDSA-N 1 0 397.313 2.949 20 0 GFADRO COc1cc(CNC(=O)[C@@H](C[NH3+])c2ccccc2)cc(Br)c1OC ZINC000237346924 553076965 /nfs/dbraw/zinc/07/69/65/553076965.db2.gz NKIVBQSRZXFBDH-AWEZNQCLSA-N 1 0 393.281 2.825 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)c2cnn(-c3cccc(Br)c3)c2)C1 ZINC000237374814 553077277 /nfs/dbraw/zinc/07/72/77/553077277.db2.gz JQUVWYVGCUZQHZ-OLZOCXBDSA-N 1 0 377.286 2.834 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)c1ccc(I)c(F)c1 ZINC000237440249 553077680 /nfs/dbraw/zinc/07/76/80/553077680.db2.gz IKNDMNQNTFBVNH-ZANVPECISA-N 1 0 376.213 2.772 20 0 GFADRO C[C@H](NC(=O)[C@@]1(C)CCCC[NH2+]1)c1cc2c(cc1Br)OCCO2 ZINC000237486521 553078075 /nfs/dbraw/zinc/07/80/75/553078075.db2.gz YXEXNRGMTTWXKN-APPDUMDISA-N 1 0 383.286 2.930 20 0 GFADRO C[C@@H]1CCCN(C(=O)CCNC(=O)Nc2ccc(Br)cc2)[C@H]1C[NH3+] ZINC000237489455 553078498 /nfs/dbraw/zinc/07/84/98/553078498.db2.gz SEPYGQZJRXUIBS-DOMZBBRYSA-N 1 0 397.317 2.547 20 0 GFADRO C[C@@]1(C(=O)NC[C@@H]2CCN(c3ccc(Br)cc3)C2)CCCC[NH2+]1 ZINC000237586952 553079561 /nfs/dbraw/zinc/07/95/61/553079561.db2.gz WGNWFCZHTLSCDA-KSSFIOAISA-N 1 0 380.330 2.924 20 0 GFADRO C[C@](C[NH3+])(NC(=O)c1ccc(Cl)c(I)c1)C1CC1 ZINC000237612362 553079896 /nfs/dbraw/zinc/07/98/96/553079896.db2.gz JLCHQVRCWUWTOK-CYBMUJFWSA-N 1 0 378.641 2.802 20 0 GFADRO Cc1nn(Cc2cccc(Br)c2)c(C)c1C(=O)N[C@H]1CCC[NH2+]C1 ZINC000237621841 553080121 /nfs/dbraw/zinc/08/01/21/553080121.db2.gz ODEHINXNJGMMDB-INIZCTEOSA-N 1 0 391.313 2.793 20 0 GFADRO Cc1c(C(=O)N2CCCC[C@@H]2C[NH3+])cnn1-c1cccc(Br)c1 ZINC000237740204 553081026 /nfs/dbraw/zinc/08/10/26/553081026.db2.gz ZFYPQCHHYLMCGA-OAHLLOKOSA-N 1 0 377.286 2.897 20 0 GFADRO O=C(C[C@@H]1CSCC[NH2+]1)Nc1cc(F)c(I)c(F)c1 ZINC000237715791 553081162 /nfs/dbraw/zinc/08/11/62/553081162.db2.gz PPGLPOAIGIVJGK-MRVPVSSYSA-N 1 0 398.216 2.603 20 0 GFADRO O=C(C[NH2+]C[C@H]1CCCO1)NCc1cc(Cl)cc(Cl)c1OC(F)F ZINC000237791552 553081838 /nfs/dbraw/zinc/08/18/38/553081838.db2.gz XFLJFAJCDOKHHV-LLVKDONJSA-N 1 0 383.222 2.980 20 0 GFADRO O=C(N[C@@H]1CCSc2ccc(Cl)cc21)c1cn(C2CC[NH2+]CC2)nn1 ZINC000237795465 553082301 /nfs/dbraw/zinc/08/23/01/553082301.db2.gz VFUPBDAYRATEML-CQSZACIVSA-N 1 0 377.901 2.823 20 0 GFADRO [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)NC[C@@H](O)COc1ccccc1Br ZINC000237867570 553083499 /nfs/dbraw/zinc/08/34/99/553083499.db2.gz RJTFDGIMEHRRDB-IJEWVQPXSA-N 1 0 399.329 2.603 20 0 GFADRO [NH3+][C@@H]1CCC[C@H](C(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)C1 ZINC000237905454 553084093 /nfs/dbraw/zinc/08/40/93/553084093.db2.gz QRDIYWAUCIEMIK-QWHCGFSZSA-N 1 0 385.917 2.581 20 0 GFADRO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)c1cnn(-c2cccc(Br)c2)c1 ZINC000237993503 553084426 /nfs/dbraw/zinc/08/44/26/553084426.db2.gz XXFNAIHFFMMDSX-WBMJQRKESA-N 1 0 377.286 2.882 20 0 GFADRO [NH3+][C@H]1CCC[C@H](C(=O)N2CCN(C(=O)c3cccc(Cl)c3Cl)CC2)C1 ZINC000238035060 553085052 /nfs/dbraw/zinc/08/50/52/553085052.db2.gz LBBNZUURMWMEJL-STQMWFEESA-N 1 0 384.307 2.795 20 0 GFADRO [NH3+]C1(CC(=O)N[C@@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)CCC1 ZINC000238008734 553085065 /nfs/dbraw/zinc/08/50/65/553085065.db2.gz QGHOJIFCKXEUBE-LLVKDONJSA-N 1 0 376.810 2.720 20 0 GFADRO COC(=O)c1ccc(Cl)cc1S(=O)(=O)NC[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000245780643 553097180 /nfs/dbraw/zinc/09/71/80/553097180.db2.gz CERDMCSGTVWABK-QWHCGFSZSA-N 1 0 388.917 2.525 20 0 GFADRO O=C(C[N@H+](C[C@@H]1CCCO1)[C@H]1CCSC1)N1CCC[C@@H](C(F)(F)F)C1 ZINC000245991582 553100512 /nfs/dbraw/zinc/10/05/12/553100512.db2.gz WZANINHMSQIUTL-ILXRZTDVSA-N 1 0 380.476 2.774 20 0 GFADRO CS(=O)(=O)[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](O)COc1cccc(Cl)c1Cl ZINC000246065778 553101736 /nfs/dbraw/zinc/10/17/36/553101736.db2.gz RYGRNHQGWMBRLI-OSAQELSMSA-N 1 0 396.336 2.679 20 0 GFADRO COC(=O)c1cc(NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)ccc1Br ZINC000246089276 553102147 /nfs/dbraw/zinc/10/21/47/553102147.db2.gz WJPXWEVLHJDNCK-OLZOCXBDSA-N 1 0 396.285 2.936 20 0 GFADRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@H]1CSCCS1 ZINC000246232666 553104240 /nfs/dbraw/zinc/10/42/40/553104240.db2.gz MVGRTRGRBUBDOV-MSOLQXFVSA-N 1 0 379.595 2.999 20 0 GFADRO C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)N1CC[C@@H](C[NH+](C)C)C1 ZINC000246284580 553105936 /nfs/dbraw/zinc/10/59/36/553105936.db2.gz AAGXORMGYZZJSM-HOCLYGCPSA-N 1 0 382.346 2.680 20 0 GFADRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2cc(Br)c3c(c2)OCCO3)C1 ZINC000246535525 553109238 /nfs/dbraw/zinc/10/92/38/553109238.db2.gz GGFJPYKZZPFBPJ-WFASDCNBSA-N 1 0 395.297 2.777 20 0 GFADRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2S(=O)(=O)c2ccc(OC(F)(F)F)cc2)C1 ZINC000246516300 553109587 /nfs/dbraw/zinc/10/95/87/553109587.db2.gz CEJWJINJLKYKFU-SWLSCSKDSA-N 1 0 378.416 2.690 20 0 GFADRO O=C1C[C@H]([N@@H+]2CC[C@H]3OCCC[C@H]3C2)C(=O)N1c1ccc(Br)cc1 ZINC000246980694 553116769 /nfs/dbraw/zinc/11/67/69/553116769.db2.gz OISZCDFRAVVTBJ-VBNZEHGJSA-N 1 0 393.281 2.582 20 0 GFADRO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)[C@H](C)NC(=O)c1cccc(Cl)c1Cl ZINC000247012211 553117401 /nfs/dbraw/zinc/11/74/01/553117401.db2.gz JBDMPDOJIVUCCI-SWLSCSKDSA-N 1 0 386.323 2.910 20 0 GFADRO CSc1ccc(NC(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc1Cl ZINC000247093152 553118987 /nfs/dbraw/zinc/11/89/87/553118987.db2.gz OEVOGFNETGVPIM-SWLSCSKDSA-N 1 0 381.929 2.943 20 0 GFADRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1csc(I)c1 ZINC000247189781 553119375 /nfs/dbraw/zinc/11/93/75/553119375.db2.gz BKEHCCVSVLIBES-MWLCHTKSSA-N 1 0 378.279 2.765 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)[C@H]2CC(=O)N(c3cc(Cl)cc(Cl)c3)C2)C1 ZINC000247309167 553120960 /nfs/dbraw/zinc/12/09/60/553120960.db2.gz QPBFVUIQFRQNES-XQQFMLRXSA-N 1 0 384.307 2.932 20 0 GFADRO CN(Cc1c(F)cccc1Cl)S(=O)(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000247518239 553123539 /nfs/dbraw/zinc/12/35/39/553123539.db2.gz NUEFMFYXNOOFOS-GUYCJALGSA-N 1 0 389.924 2.572 20 0 GFADRO O[C@H](COc1ccc(Br)cc1)C[N@@H+]1CC[C@]2(O)CCCC[C@H]2C1 ZINC000248147661 553127824 /nfs/dbraw/zinc/12/78/24/553127824.db2.gz QIZFDPKZAJZQAV-QILLFSRXSA-N 1 0 384.314 2.816 20 0 GFADRO CCOCCC[N@@H+]1CC[C@@H](NS(=O)(=O)c2ccccc2SC)[C@@H](C)C1 ZINC000249059579 553138286 /nfs/dbraw/zinc/13/82/86/553138286.db2.gz GBJDQJQMJKKNSL-JKSUJKDBSA-N 1 0 386.583 2.824 20 0 GFADRO C[C@H](Cc1ccc(Br)cc1)C(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000249408547 553143025 /nfs/dbraw/zinc/14/30/25/553143025.db2.gz UUDOSEVURMHXMK-CABCVRRESA-N 1 0 397.357 2.931 20 0 GFADRO O[C@@H]1[C@H]2C[C@H]3C[N@H+](Cc4cc5c(cc4Br)OCCCO5)[C@H]1[C@H]3C2 ZINC000249423295 553143066 /nfs/dbraw/zinc/14/30/66/553143066.db2.gz DLORUWIOGPLKDJ-RRGUEFANSA-N 1 0 380.282 2.812 20 0 GFADRO O[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3C[N@@H+]2Cc1nc(-c2cccc(Br)c2)no1 ZINC000249632063 553145032 /nfs/dbraw/zinc/14/50/32/553145032.db2.gz VNKXATAJEFPOGD-XNHOIOAFSA-N 1 0 376.254 2.700 20 0 GFADRO Cc1cc(F)c(Br)cc1S(=O)(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000249712560 553145747 /nfs/dbraw/zinc/14/57/47/553145747.db2.gz YXORCUUFGFBSMI-NWDGAFQWSA-N 1 0 393.322 3.000 20 0 GFADRO CC1(C)CN(CCNC(=O)[C@H]2C[C@H]2c2cccc(Br)c2)CCO1 ZINC000249745096 553146268 /nfs/dbraw/zinc/14/62/68/553146268.db2.gz MQOZNQXIVJKZAH-HOTGVXAUSA-N 1 0 381.314 2.780 20 0 GFADRO COc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)NC[C@H]2CCCO2)cc1Br ZINC000252465347 553149959 /nfs/dbraw/zinc/14/99/59/553149959.db2.gz PZGVZTOMHQONHM-SGMGOOAPSA-N 1 0 385.302 2.792 20 0 GFADRO CN1CCO[C@@H]([C@@H](NCc2cc(C(N)=O)cs2)c2ccc(Cl)cc2)C1 ZINC000252735699 553150385 /nfs/dbraw/zinc/15/03/85/553150385.db2.gz PNZYKFLXTBFCKR-SJORKVTESA-N 1 0 379.913 2.662 20 0 GFADRO C[C@@H]([NH3+])C1CCN(S(=O)(=O)c2c(Cl)cccc2Br)CC1 ZINC000261627078 553154478 /nfs/dbraw/zinc/15/44/78/553154478.db2.gz ASSIVSYFMHGMJO-SECBINFHSA-N 1 0 381.723 2.850 20 0 GFADRO C[C@@H]1CCN(C(=O)Cc2csc(NC(=O)c3cccs3)n2)[C@H](C[NH3+])C1 ZINC000261637370 553155305 /nfs/dbraw/zinc/15/53/05/553155305.db2.gz AMXDWVXGPWDJJK-YPMHNXCESA-N 1 0 378.523 2.585 20 0 GFADRO O=C(CC[C@@H]1CC[NH2+]C1)NC1CCN(Cc2ccc(Br)cc2)CC1 ZINC000261672824 553155952 /nfs/dbraw/zinc/15/59/52/553155952.db2.gz AUMOHDMPMWSRMJ-OAHLLOKOSA-N 1 0 394.357 2.919 20 0 GFADRO C[C@@]([NH3+])(C(=O)NCCC(=O)NC1CCCCC1)c1ccc(Br)cc1 ZINC000261702182 553156634 /nfs/dbraw/zinc/15/66/34/553156634.db2.gz IMCANOLZLSUMEF-SFHVURJKSA-N 1 0 396.329 2.578 20 0 GFADRO COCC1(CNC(=O)[C@@H](C)Oc2ccc(Cl)c(Cl)c2)CC[NH2+]CC1 ZINC000261700646 553156917 /nfs/dbraw/zinc/15/69/17/553156917.db2.gz JMFYQDKVPNALRB-GFCCVEGCSA-N 1 0 375.296 2.893 20 0 GFADRO O=C(CN1CC[NH2+]C[C@H]1c1ccccc1Cl)Nc1nc2c(s1)CCC2 ZINC000261771397 553158583 /nfs/dbraw/zinc/15/85/83/553158583.db2.gz OTGCWJHHHPTAOW-HNNXBMFYSA-N 1 0 376.913 2.870 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)CC[C@H]1CC[NH2+]C1 ZINC000261774705 553158715 /nfs/dbraw/zinc/15/87/15/553158715.db2.gz JAXJJMSNEIXDHE-ZDUSSCGKSA-N 1 0 382.302 2.592 20 0 GFADRO COc1cc(Br)ccc1C(=O)Nc1ccc(N2CC[NH2+]CC2)cn1 ZINC000261796566 553159678 /nfs/dbraw/zinc/15/96/78/553159678.db2.gz ZMIBTHBSQSDFLV-UHFFFAOYSA-N 1 0 391.269 2.515 20 0 GFADRO O=C(c1ccc(I)cc1)N1CCC2(CC[NH2+]CC2)CC1 ZINC000261800434 553159988 /nfs/dbraw/zinc/15/99/88/553159988.db2.gz RFVBLHOEIUMQOY-UHFFFAOYSA-N 1 0 384.261 2.897 20 0 GFADRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)c1ccc(I)cc1Cl ZINC000261841237 553160363 /nfs/dbraw/zinc/16/03/63/553160363.db2.gz PCQISORFMHSFSB-BDAKNGLRSA-N 1 0 378.641 2.754 20 0 GFADRO C[C@@H]1CCN(C(=O)c2nn(-c3ccc(F)cc3)cc2Br)[C@H](C[NH3+])C1 ZINC000261842071 553160425 /nfs/dbraw/zinc/16/04/25/553160425.db2.gz PQPKCEKEBKQZCT-RISCZKNCSA-N 1 0 395.276 2.973 20 0 GFADRO [NH3+]C1(c2noc(CCNC(=O)c3cc(F)ccc3Br)n2)CCCC1 ZINC000261889503 553162273 /nfs/dbraw/zinc/16/22/73/553162273.db2.gz XGJWYKHHLVMHBU-UHFFFAOYSA-N 1 0 397.248 2.672 20 0 GFADRO O=C(NC1(c2ccc(Br)cc2)CCOCC1)[C@H]1CC12CC[NH2+]CC2 ZINC000261936403 553162675 /nfs/dbraw/zinc/16/26/75/553162675.db2.gz MCXRQHXUWJICCW-MRXNPFEDSA-N 1 0 393.325 2.961 20 0 GFADRO COc1ccc(NC(=O)[C@]2([NH3+])[C@H]3CCCO[C@@H]3C2(C)C)cc1Br ZINC000261931219 553162789 /nfs/dbraw/zinc/16/27/89/553162789.db2.gz SVBDQWYIJPISAS-PZSREKOKSA-N 1 0 383.286 2.929 20 0 GFADRO O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1cc(Cl)sc1Cl ZINC000262004695 553163997 /nfs/dbraw/zinc/16/39/97/553163997.db2.gz NRIYGNTUGKOWEX-QMMMGPOBSA-N 1 0 376.231 2.621 20 0 GFADRO O=S(=O)(c1c(Cl)cccc1Br)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000262155697 553166362 /nfs/dbraw/zinc/16/63/62/553166362.db2.gz ZIUXAYSKMGTNGS-JTQLQIEISA-N 1 0 379.707 2.618 20 0 GFADRO COCC1(C(=O)N2CC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)CC[NH2+]CC1 ZINC000262328884 553169263 /nfs/dbraw/zinc/16/92/63/553169263.db2.gz DXGQMPSNQFPPRY-AWEZNQCLSA-N 1 0 387.307 2.989 20 0 GFADRO C[C@H](c1ccccc1Cl)N1CCN(C(=O)c2csc(CC[NH3+])n2)CC1 ZINC000262350767 553169661 /nfs/dbraw/zinc/16/96/61/553169661.db2.gz ILQKZGHHNKORLG-CYBMUJFWSA-N 1 0 378.929 2.817 20 0 GFADRO C[C@H](C(=O)Nc1nnc(-c2cc(Br)ccc2F)s1)C1C[NH2+]C1 ZINC000262581877 553172311 /nfs/dbraw/zinc/17/23/11/553172311.db2.gz UQQVMOIRUCICBA-ZETCQYMHSA-N 1 0 385.262 2.901 20 0 GFADRO C[NH2+]CC1CCN(C(=O)COc2ccc(Br)cc2Cl)CC1 ZINC000262580071 553172335 /nfs/dbraw/zinc/17/23/35/553172335.db2.gz NRXNOWNTDSAWFU-UHFFFAOYSA-N 1 0 375.694 2.939 20 0 GFADRO O=C(NCC[C@@H]1CC[NH2+]C1)c1nn(-c2ccc(F)cc2)cc1Br ZINC000262573278 553172453 /nfs/dbraw/zinc/17/24/53/553172453.db2.gz IBZIADMJWJHTLF-NSHDSACASA-N 1 0 381.249 2.503 20 0 GFADRO O=C(NCC[C@@H]1CC[NH2+]C1)c1ccc(Cl)c(I)c1 ZINC000262586923 553172961 /nfs/dbraw/zinc/17/29/61/553172961.db2.gz WGMJDJNCJHMVJE-VIFPVBQESA-N 1 0 378.641 2.674 20 0 GFADRO [NH3+][C@@H]1CC[C@@H](C(=O)N[C@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)C1 ZINC000262662597 553173364 /nfs/dbraw/zinc/17/33/64/553173364.db2.gz ZHPPGSONIRGGCT-JLLWLGSASA-N 1 0 376.810 2.576 20 0 GFADRO O=C(NCc1cc(F)ccc1Br)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000262729729 553174574 /nfs/dbraw/zinc/17/45/74/553174574.db2.gz HVXUSRYJCZIZBA-ZDUSSCGKSA-N 1 0 381.249 2.639 20 0 GFADRO COc1ccc(OC)c(-c2csc(NC(=O)C[C@@H]3CSCC[NH2+]3)n2)c1 ZINC000262792481 553175590 /nfs/dbraw/zinc/17/55/90/553175590.db2.gz NPPSAVMHQGBGRX-LLVKDONJSA-N 1 0 379.507 2.861 20 0 GFADRO COc1ccc(S(=O)(=O)N[C@H](C[NH3+])C2CCCCC2)c(Br)c1 ZINC000262772568 553175859 /nfs/dbraw/zinc/17/58/59/553175859.db2.gz MPLNMGRONMKEOO-CQSZACIVSA-N 1 0 391.331 2.644 20 0 GFADRO C[C@H](Cc1cccc(Br)c1)NC(=O)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000262858346 553177378 /nfs/dbraw/zinc/17/73/78/553177378.db2.gz WDDYOXJMQVBHQJ-CJNGLKHVSA-N 1 0 391.313 2.931 20 0 GFADRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)c1ccc(I)c(Cl)c1 ZINC000262890999 553177631 /nfs/dbraw/zinc/17/76/31/553177631.db2.gz WWEFJHJRSNVFMQ-PELKAZGASA-N 1 0 378.641 2.672 20 0 GFADRO O=C(c1ccn([C@H]2CCC[NH2+]C2)n1)N1CCc2c(Br)cccc2C1 ZINC000262874095 553177854 /nfs/dbraw/zinc/17/78/54/553177854.db2.gz YAOOGCBDSJNXAG-AWEZNQCLSA-N 1 0 389.297 2.769 20 0 GFADRO CCCC(=O)N1CSC[C@H]1C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000262989773 553179908 /nfs/dbraw/zinc/17/99/08/553179908.db2.gz OHRJRAHSKHDUTF-ZDUSSCGKSA-N 1 0 375.416 2.804 20 0 GFADRO CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2cc(Cl)c(OC)c(Cl)c2)C1 ZINC000263652109 553190411 /nfs/dbraw/zinc/19/04/11/553190411.db2.gz DBZBLTAKFDGOGE-NSHDSACASA-N 1 0 388.295 2.789 20 0 GFADRO CCN(C)C(=O)C[NH+]1CCC(C(=O)Nc2cccc(Br)c2)CC1 ZINC000263664886 553190947 /nfs/dbraw/zinc/19/09/47/553190947.db2.gz FGPKNEKUQZYLTN-UHFFFAOYSA-N 1 0 382.302 2.578 20 0 GFADRO CC[N@H+](CCNC(=O)Cc1csc(NC(=O)c2cccs2)n1)C1CC1 ZINC000263735716 553192579 /nfs/dbraw/zinc/19/25/79/553192579.db2.gz NPFQENYHZKPQQH-UHFFFAOYSA-N 1 0 378.523 2.600 20 0 GFADRO C[N@@H+]1CCC[C@@H]1CNC(=O)C1(c2ccc(Br)cc2)CCOCC1 ZINC000263756458 553193110 /nfs/dbraw/zinc/19/31/10/553193110.db2.gz YATYGHFRAWUZIQ-MRXNPFEDSA-N 1 0 381.314 2.708 20 0 GFADRO COc1cc(C[NH2+]CC[C@@H](C)OC)cc(I)c1OC ZINC000263822831 553194384 /nfs/dbraw/zinc/19/43/84/553194384.db2.gz QRKIKLOGSNUFKB-SNVBAGLBSA-N 1 0 379.238 2.823 20 0 GFADRO Cn1cc(I)c(C[NH2+][C@@H]2CCCC[C@@H]2[C@H]2CCOC2)n1 ZINC000449603549 564192059 /nfs/dbraw/zinc/19/20/59/564192059.db2.gz GYLOOCSXJSWWOI-OUCADQQQSA-N 1 0 389.281 2.710 20 0 GFADRO C[C@@H]1CC[NH2+][C@@H](C(=O)N2CCN(Cc3ccc(Br)s3)CC2)C1 ZINC000565364078 564278285 /nfs/dbraw/zinc/27/82/85/564278285.db2.gz FKSBPDYPLRGQRH-TZMCWYRMSA-N 1 0 386.359 2.543 20 0 GFADRO C[C@H]1CCC[C@@H]1[NH2+]CCCNS(=O)(=O)c1ccccc1Br ZINC000512868434 564414902 /nfs/dbraw/zinc/41/49/02/564414902.db2.gz CRDCEGHIIPYKIC-JSGCOSHPSA-N 1 0 375.332 2.896 20 0 GFADRO Cc1cc(Br)c(C[NH2+]C[C@H]2CCC[C@H]2NS(C)(=O)=O)s1 ZINC000453564289 564457821 /nfs/dbraw/zinc/45/78/21/564457821.db2.gz GMOMFPOUODFDFP-ZYHUDNBSSA-N 1 0 381.361 2.627 20 0 GFADRO C[C@@H](Cc1ccc(Br)cc1)C(=O)NCCC[N@H+](C)CCN(C)C ZINC000516511059 564503090 /nfs/dbraw/zinc/50/30/90/564503090.db2.gz JNKDHQNFBIHCCR-HNNXBMFYSA-N 1 0 384.362 2.627 20 0 GFADRO [NH3+]CCC1CCN(C(=O)NCc2cc(F)c(F)cc2Br)CC1 ZINC000516575096 564506186 /nfs/dbraw/zinc/50/61/86/564506186.db2.gz IJCAXQSXIBPDLH-UHFFFAOYSA-N 1 0 376.245 2.998 20 0 GFADRO C[NH+](C)C(C)(C)CNC(=O)CCOc1ccccc1I ZINC000493524003 564808293 /nfs/dbraw/zinc/80/82/93/564808293.db2.gz JWWXSZRRSIVMDE-UHFFFAOYSA-N 1 0 390.265 2.517 20 0 GFADRO C[C@@]1(NC(=O)Cc2ccc(Br)c(Br)c2)CC[NH2+]C1 ZINC000663015185 565392924 /nfs/dbraw/zinc/39/29/24/565392924.db2.gz RSCRTADGYIKMCG-CYBMUJFWSA-N 1 0 376.092 2.622 20 0 GFADRO COCCN(Cc1sccc1Br)C(=O)N[C@H](C)CCC[NH3+] ZINC000418687329 563221984 /nfs/dbraw/zinc/22/19/84/563221984.db2.gz LOWKJASMSLMVOO-LLVKDONJSA-N 1 0 378.336 2.796 20 0 GFADRO CN(Cc1cc(Br)cs1)C(=O)CN[C@H](C[NH3+])C1CCCCC1 ZINC000420376635 563262747 /nfs/dbraw/zinc/26/27/47/563262747.db2.gz VIMGVQJLJXAHOE-OAHLLOKOSA-N 1 0 388.375 2.966 20 0 GFADRO CN(C)S(=O)(=O)CCC[N@@H+]1CCC[C@@H]1Cc1ccccc1Br ZINC000420981597 563293390 /nfs/dbraw/zinc/29/33/90/563293390.db2.gz YQRJVOTXRZNTPT-OAHLLOKOSA-N 1 0 389.359 2.738 20 0 GFADRO COc1ncc(C(=O)NC[C@H](c2ccsc2)[NH+](C)C)cc1Br ZINC000424569636 563382361 /nfs/dbraw/zinc/38/23/61/563382361.db2.gz DCMXNHWRWGTTFH-CYBMUJFWSA-N 1 0 384.299 2.947 20 0 GFADRO COc1ccc(S(=O)(=O)NC(C)(C)C[NH+]2CCCC2)cc1Br ZINC000308676155 563435019 /nfs/dbraw/zinc/43/50/19/563435019.db2.gz KAYBHGHKTMONEO-UHFFFAOYSA-N 1 0 391.331 2.610 20 0 GFADRO Cc1cc(C(=O)N2CCC[N@@H+]([C@H](C)CO)CC2)cc(Cl)c1Br ZINC000376715642 563452207 /nfs/dbraw/zinc/45/22/07/563452207.db2.gz KJDWLZYRMLVGTO-GFCCVEGCSA-N 1 0 389.721 2.940 20 0 GFADRO CC[NH+]1CCN(CC(=O)N(C)Cc2cc(Br)ccc2Cl)CC1 ZINC000427801428 563476335 /nfs/dbraw/zinc/47/63/35/563476335.db2.gz UUWDMXLZDFVJRF-UHFFFAOYSA-N 1 0 388.737 2.698 20 0 GFADRO O=C(NCC1(c2ccc(Br)cc2Cl)CC1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000418229313 563214247 /nfs/dbraw/zinc/21/42/47/563214247.db2.gz UPEDYMUJNFJUSE-TXEJJXNPSA-N 1 0 398.732 2.995 20 0 GFADRO C[C@H]1CCN(C(=O)NCc2nc3c(cccc3Br)[nH]2)[C@@H](C[NH3+])C1 ZINC000418274729 563214671 /nfs/dbraw/zinc/21/46/71/563214671.db2.gz YHJUZZCGSRPFKH-WDEREUQCSA-N 1 0 380.290 2.594 20 0 GFADRO CC(C)c1ccc([C@H]([NH3+])CNC(=O)NCc2nn(C)cc2Br)cc1 ZINC000418249155 563214866 /nfs/dbraw/zinc/21/48/66/563214866.db2.gz SZBPBZKFJDPYCD-OAHLLOKOSA-N 1 0 394.317 2.805 20 0 GFADRO [NH3+]C1(CNC(=O)N[C@H](CO)c2ccc(Br)cc2)CCCCCC1 ZINC000418281978 563215662 /nfs/dbraw/zinc/21/56/62/563215662.db2.gz GDZGJHOWXPWWKQ-OAHLLOKOSA-N 1 0 384.318 2.833 20 0 GFADRO CC(C)(COc1ncccc1Br)NC(=O)NC1CCC([NH3+])CC1 ZINC000418386260 563216415 /nfs/dbraw/zinc/21/64/15/563216415.db2.gz MTKJHQJMESOIMQ-UHFFFAOYSA-N 1 0 385.306 2.571 20 0 GFADRO COCCN(Cc1ccc(Br)s1)C(=O)NC[C@H]([NH3+])C(C)C ZINC000418411633 563216900 /nfs/dbraw/zinc/21/69/00/563216900.db2.gz QFNRVUZMAVVZMO-LBPRGKRZSA-N 1 0 378.336 2.652 20 0 GFADRO Cn1ncc(Br)c1C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000294780599 563216952 /nfs/dbraw/zinc/21/69/52/563216952.db2.gz GRJJKXGHOWHNHW-UHFFFAOYSA-N 1 0 391.313 2.825 20 0 GFADRO CC(C)([NH3+])CNC(=O)N1CCN(c2ccc(C(F)(F)F)cc2Cl)CC1 ZINC000418415546 563217086 /nfs/dbraw/zinc/21/70/86/563217086.db2.gz NRQGXYSPEDYSND-UHFFFAOYSA-N 1 0 378.826 2.928 20 0 GFADRO COc1c(Br)cccc1C[NH2+]C[C@@H]1C[C@H](F)CN1c1cccnn1 ZINC000369545912 563217437 /nfs/dbraw/zinc/21/74/37/563217437.db2.gz LFVPSLFTHPVGDA-KBPBESRZSA-N 1 0 395.276 2.954 20 0 GFADRO CC[C@@H]1Cc2c(Br)cccc2CN1C(=O)NCC[NH2+]CCOC ZINC000418508890 563218415 /nfs/dbraw/zinc/21/84/15/563218415.db2.gz NSVZTZVVIQSTLI-CQSZACIVSA-N 1 0 384.318 2.531 20 0 GFADRO CC(=O)NCCN(Cc1ccc(Cl)cc1Cl)C(=O)NCC1([NH3+])CCC1 ZINC000418505808 563218814 /nfs/dbraw/zinc/21/88/14/563218814.db2.gz DXKMYDWRXAIBDN-UHFFFAOYSA-N 1 0 387.311 2.523 20 0 GFADRO [NH3+]C1(CNC(=O)N2CCO[C@H](c3ccc(F)c(Br)c3)C2)CCC1 ZINC000418513835 563219244 /nfs/dbraw/zinc/21/92/44/563219244.db2.gz SUMCLMKPJKOLOE-AWEZNQCLSA-N 1 0 386.265 2.553 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H](NC(=O)N2CCN(Cc3ccc(Br)cc3)CC2)C1 ZINC000418574001 563219926 /nfs/dbraw/zinc/21/99/26/563219926.db2.gz VAOWRWHPKPGZEC-IAGOWNOFSA-N 1 0 395.345 2.546 20 0 GFADRO CN1CCC2(CC[NH+](Cc3cc(Br)cc4c3OCC4)CC2)C1=O ZINC000369648937 563220289 /nfs/dbraw/zinc/22/02/89/563220289.db2.gz OVHPMFJZJMUCNT-UHFFFAOYSA-N 1 0 379.298 2.828 20 0 GFADRO CC(C)(COc1ncccc1Br)NC(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000418583719 563220616 /nfs/dbraw/zinc/22/06/16/563220616.db2.gz NVIJDBZVBBBXLV-NWDGAFQWSA-N 1 0 385.306 2.571 20 0 GFADRO CC1(C)CCC[NH2+][C@H]1CNC(=O)N[C@@H](CCO)c1ccccc1Br ZINC000418631496 563221323 /nfs/dbraw/zinc/22/13/23/563221323.db2.gz BDDXDDVMJPHSCJ-HOTGVXAUSA-N 1 0 398.345 2.950 20 0 GFADRO CS(=O)(=O)CC1CCC([NH2+]CCc2nc(-c3ccncc3)cs2)CC1 ZINC000294914214 563221341 /nfs/dbraw/zinc/22/13/41/563221341.db2.gz WPKLOAGUEPIOOG-UHFFFAOYSA-N 1 0 379.551 2.941 20 0 GFADRO C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@]34CCc3cc(Br)ccc34)C[C@H]2C1 ZINC000369705599 563222111 /nfs/dbraw/zinc/22/21/11/563222111.db2.gz ZNBKOIKIWRBXNU-CSHUHZATSA-N 1 0 375.310 2.673 20 0 GFADRO Cn1ncc(Br)c1C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000294952729 563222808 /nfs/dbraw/zinc/22/28/08/563222808.db2.gz VZLHVCYNHQQVJZ-HNNXBMFYSA-N 1 0 391.313 2.967 20 0 GFADRO C[C@@H]([NH3+])[C@@H](C)NC(=O)N1CCC(C(=O)Nc2cccc(Br)c2)CC1 ZINC000418694548 563222896 /nfs/dbraw/zinc/22/28/96/563222896.db2.gz IBGLXGSKSXSENQ-VXGBXAGGSA-N 1 0 397.317 2.545 20 0 GFADRO CC(C)(COc1ncccc1Br)NC(=O)NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000418728017 563223389 /nfs/dbraw/zinc/22/33/89/563223389.db2.gz QUXYFBYBGTVSMN-STQMWFEESA-N 1 0 399.333 2.818 20 0 GFADRO CN(C(=O)[C@H]1SCCc2sccc21)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000369728430 563223453 /nfs/dbraw/zinc/22/34/53/563223453.db2.gz ZNJDGZAGTXOKBE-YJBOKZPZSA-N 1 0 379.595 2.705 20 0 GFADRO CN1CC[NH2+]C[C@H]1CNC(=O)N1CCC(c2cccc(Cl)c2Cl)CC1 ZINC000418760837 563224176 /nfs/dbraw/zinc/22/41/76/563224176.db2.gz KNLIVHATQSFRRC-AWEZNQCLSA-N 1 0 385.339 2.786 20 0 GFADRO CC(C)(COc1ncccc1Br)NC(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000418773645 563224979 /nfs/dbraw/zinc/22/49/79/563224979.db2.gz QNHGUDXTRPJRIP-CYBMUJFWSA-N 1 0 399.333 2.833 20 0 GFADRO CCCN(C(=O)NC[C@H]1C[NH2+]CCO1)[C@@H](C)c1ccccc1Br ZINC000418764642 563225074 /nfs/dbraw/zinc/22/50/74/563225074.db2.gz KZLZCGPETXOEFL-UONOGXRCSA-N 1 0 384.318 2.920 20 0 GFADRO O=C1NC2(CCSCC2)C(=O)N1CC1CC[NH+](Cc2cccs2)CC1 ZINC000277778062 563226126 /nfs/dbraw/zinc/22/61/26/563226126.db2.gz KRQQDJQNRRRNRO-UHFFFAOYSA-N 1 0 379.551 2.778 20 0 GFADRO C[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)[C@H]1C[NH3+] ZINC000418816988 563226447 /nfs/dbraw/zinc/22/64/47/563226447.db2.gz MBKPOJNMZJJIJT-DUUOMRMWSA-N 1 0 384.307 2.551 20 0 GFADRO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N[C@H](C)c2cc(F)c(Cl)cc2Cl)C1 ZINC000418848178 563227317 /nfs/dbraw/zinc/22/73/17/563227317.db2.gz KVRANULRIABXDM-MNOVXSKESA-N 1 0 390.286 2.768 20 0 GFADRO COCCC[N@@H+]1CCCN(CC(=O)Nc2ccc(Br)cc2C)CC1 ZINC000369905072 563227724 /nfs/dbraw/zinc/22/77/24/563227724.db2.gz VFLVYPURLSKLMJ-UHFFFAOYSA-N 1 0 398.345 2.740 20 0 GFADRO CC(C)[C@H](CNC(=O)C(=O)N(C)[C@@H](C)C[NH3+])Cc1ccc(Cl)cc1Cl ZINC000418855644 563227953 /nfs/dbraw/zinc/22/79/53/563227953.db2.gz MYEPJOOAKYTEQB-JSGCOSHPSA-N 1 0 388.339 2.730 20 0 GFADRO C[C@@H](NC(=O)C(=O)NC[C@@H]1[NH2+]CCCC1(C)C)c1ccc(Br)cc1 ZINC000418855124 563228145 /nfs/dbraw/zinc/22/81/45/563228145.db2.gz CQLZQDPOWBNUEW-DOMZBBRYSA-N 1 0 396.329 2.521 20 0 GFADRO C[C@H](NC(=O)C(=O)NCCCc1ccc(Cl)cc1Cl)[C@H]1CCC[NH2+]C1 ZINC000419043240 563232169 /nfs/dbraw/zinc/23/21/69/563232169.db2.gz QXTOYSKFMYFBKR-JSGCOSHPSA-N 1 0 386.323 2.547 20 0 GFADRO Cc1ccc(CN(CC[NH+](C)C)C(=O)Cc2cc[nH]c(=O)c2Br)o1 ZINC000277927412 563232826 /nfs/dbraw/zinc/23/28/26/563232826.db2.gz FOEAGSAKMGQNBC-UHFFFAOYSA-N 1 0 396.285 2.584 20 0 GFADRO O=C(NCC[C@@H]1CCC[NH2+]C1)C(=O)N[C@H]1CCc2c1ccc(Cl)c2Cl ZINC000419093362 563233317 /nfs/dbraw/zinc/23/33/17/563233317.db2.gz IWXXLICSKVBGHP-NHYWBVRUSA-N 1 0 384.307 2.603 20 0 GFADRO CCCN(C(=O)C(=O)N[C@@H]1CCc2c1ccc(Cl)c2Cl)[C@@H]1CC[NH2+]C1 ZINC000419090434 563233322 /nfs/dbraw/zinc/23/33/22/563233322.db2.gz FJYACRDDJXLBPD-IAQYHMDHSA-N 1 0 384.307 2.697 20 0 GFADRO COc1ccc(NC(=O)NC[C@H]2CCC[N@@H+]2C)c(I)c1 ZINC000277951408 563233475 /nfs/dbraw/zinc/23/34/75/563233475.db2.gz GPPIFHDISLPTDU-SNVBAGLBSA-N 1 0 389.237 2.516 20 0 GFADRO C[C@@]1(CNC(=O)C(=O)N[C@@H]2CCc3c2ccc(Cl)c3Cl)CCC[NH2+]C1 ZINC000419105628 563233737 /nfs/dbraw/zinc/23/37/37/563233737.db2.gz UVZCOMOPDQBCGA-RDTXWAMCSA-N 1 0 384.307 2.603 20 0 GFADRO [NH3+]C[C@@H](NC(=O)C(=O)N[C@H]1CCc2c1ccc(Cl)c2Cl)C1CCCC1 ZINC000419100347 563233848 /nfs/dbraw/zinc/23/38/48/563233848.db2.gz PYCOVNKTQINWQB-LSDHHAIUSA-N 1 0 384.307 2.731 20 0 GFADRO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N[C@H](c1ccsc1)c1ccc(Cl)cc1 ZINC000419127271 563233959 /nfs/dbraw/zinc/23/39/59/563233959.db2.gz PKKNNMRGKOUEED-HOTGVXAUSA-N 1 0 379.913 2.707 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)[C@@H]2CCCN2C(=O)c2ccc(Cl)s2)C1 ZINC000370139447 563234424 /nfs/dbraw/zinc/23/44/24/563234424.db2.gz WTBXWXCQARZICA-MJBXVCDLSA-N 1 0 383.945 2.995 20 0 GFADRO CO[C@@H](C[NH2+][C@@H](C(N)=O)c1cccc(Br)c1)Cc1ccccc1 ZINC000419215476 563235166 /nfs/dbraw/zinc/23/51/66/563235166.db2.gz METCUOLIXKQFDY-IAGOWNOFSA-N 1 0 377.282 2.823 20 0 GFADRO CCC[C@H](NC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)c1ccc(Cl)c(Cl)c1 ZINC000419305450 563236407 /nfs/dbraw/zinc/23/64/07/563236407.db2.gz RDZNEXFMZPLZFG-ZENOOKHLSA-N 1 0 384.307 2.629 20 0 GFADRO C[C@@H]1CN(Cc2ncc(-c3ccc(Br)cc3)o2)[C@@H](C)C[N@@H+]1CCO ZINC000419338811 563237965 /nfs/dbraw/zinc/23/79/65/563237965.db2.gz ZJPWDRVLEGTGPG-KGLIPLIRSA-N 1 0 394.313 2.991 20 0 GFADRO C[C@@H](NC(=O)C(=O)NCC[C@H]1CCC[NH2+]C1)c1c(Cl)ccc(F)c1Cl ZINC000419347344 563238518 /nfs/dbraw/zinc/23/85/18/563238518.db2.gz WLCWLFSCIRRRTN-GHMZBOCLSA-N 1 0 390.286 2.816 20 0 GFADRO C[C@H]1C[C@H](NC(=O)C(=O)NCC(C)(C)c2ccc(Cl)c(Cl)c2)CC[NH2+]1 ZINC000419365411 563239344 /nfs/dbraw/zinc/23/93/44/563239344.db2.gz UCCDEFZUSQEMKR-WCQYABFASA-N 1 0 386.323 2.644 20 0 GFADRO C[C@H](NC(=O)N1C[C@@H](C)[N@H+](CCO)C[C@@H]1C)c1ccc(Br)cc1 ZINC000419399296 563239676 /nfs/dbraw/zinc/23/96/76/563239676.db2.gz IPSLUTBVTVSEFO-RDBSUJKOSA-N 1 0 384.318 2.607 20 0 GFADRO O=S(=O)(C1CC1)N1CCC([NH2+]Cc2cnc(-c3ccccc3)s2)CC1 ZINC000370323266 563240635 /nfs/dbraw/zinc/24/06/35/563240635.db2.gz DKRIRZMXNKXBEV-UHFFFAOYSA-N 1 0 377.535 2.856 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)NC[C@@H](C)c2c(Cl)cccc2Cl)C1 ZINC000419520433 563241017 /nfs/dbraw/zinc/24/10/17/563241017.db2.gz QGEQCRRHSXJPDD-JHJVBQTASA-N 1 0 386.323 2.799 20 0 GFADRO Cc1ccc([C@H](CNC(=O)Cc2cc[nH]c(=O)c2Br)[NH+](C)C)cc1 ZINC000278116579 563241610 /nfs/dbraw/zinc/24/16/10/563241610.db2.gz LHVUKNYCZATXMJ-HNNXBMFYSA-N 1 0 392.297 2.820 20 0 GFADRO C[C@@H](NC(=O)C(=O)N[C@H]1CC[NH2+]C1)c1ccc(-c2ccc(Cl)cc2)s1 ZINC000419614956 563244016 /nfs/dbraw/zinc/24/40/16/563244016.db2.gz OQBPEPZXWFLAGF-RISCZKNCSA-N 1 0 377.897 2.724 20 0 GFADRO CN(C(=O)C(=O)NCC(C)(C)c1c(Cl)cccc1Cl)C1CC[NH2+]CC1 ZINC000419695445 563245945 /nfs/dbraw/zinc/24/59/45/563245945.db2.gz MRMZPHINRUWMSA-UHFFFAOYSA-N 1 0 386.323 2.598 20 0 GFADRO Cc1c(CNC(=O)C(=O)N[C@H]2CCC[C@H]2C[NH3+])sc2ccc(Cl)cc12 ZINC000419708192 563247320 /nfs/dbraw/zinc/24/73/20/563247320.db2.gz LRWJAJLRRYWPTH-FZMZJTMJSA-N 1 0 379.913 2.723 20 0 GFADRO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NCc1sc2ccc(Cl)cc2c1C ZINC000419713664 563247633 /nfs/dbraw/zinc/24/76/33/563247633.db2.gz SFMLYGQXKXGQNA-ZDUSSCGKSA-N 1 0 379.913 2.690 20 0 GFADRO Cc1c(CNC(=O)C(=O)N2C[C@H](C[NH3+])C[C@H]2C)sc2ccc(Cl)cc12 ZINC000419708978 563247678 /nfs/dbraw/zinc/24/76/78/563247678.db2.gz MNAOACKBBOHOJN-PWSUYJOCSA-N 1 0 379.913 2.675 20 0 GFADRO C[C@@H](C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1)c1ccc(Br)s1 ZINC000370540506 563248014 /nfs/dbraw/zinc/24/80/14/563248014.db2.gz SRFBQVOSBCTTDF-YPMHNXCESA-N 1 0 387.343 2.984 20 0 GFADRO Cc1c(CNC(=O)C(=O)N2CC[C@H]([NH3+])[C@@H](C)C2)sc2ccc(Cl)cc12 ZINC000419718677 563248416 /nfs/dbraw/zinc/24/84/16/563248416.db2.gz WGNKMJFPLNVZKE-HZMBPMFUSA-N 1 0 379.913 2.675 20 0 GFADRO CC[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000419762727 563249988 /nfs/dbraw/zinc/24/99/88/563249988.db2.gz DXGIZZHANIZABK-IUODEOHRSA-N 1 0 386.323 2.547 20 0 GFADRO Cc1cc(Br)cc(Cl)c1NC(=O)C(=O)NCC1([NH+](C)C)CC1 ZINC000419792815 563251135 /nfs/dbraw/zinc/25/11/35/563251135.db2.gz AQBZTJVPQLROBD-UHFFFAOYSA-N 1 0 388.693 2.560 20 0 GFADRO O=Cc1ccc(OCC(=O)NC2CC([NH+]3CCCCC3)C2)c(Br)c1 ZINC000370655665 563251594 /nfs/dbraw/zinc/25/15/94/563251594.db2.gz HKHGADDOXYONCD-UHFFFAOYSA-N 1 0 395.297 2.774 20 0 GFADRO O=C(CCCc1ccccc1Br)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000370679647 563252340 /nfs/dbraw/zinc/25/23/40/563252340.db2.gz VTEYKHQNTBIVFA-HZPDHXFCSA-N 1 0 381.314 2.751 20 0 GFADRO O=C(NCCC[NH2+]C1CC1)C(=O)N(Cc1cccs1)Cc1cccs1 ZINC000419851219 563252457 /nfs/dbraw/zinc/25/24/57/563252457.db2.gz IMWGWBUUFQNMLJ-UHFFFAOYSA-N 1 0 377.535 2.597 20 0 GFADRO CCCN(Cc1ccccc1Br)C(=O)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000419864641 563252681 /nfs/dbraw/zinc/25/26/81/563252681.db2.gz FVBUJHNRVSFLEO-CABCVRRESA-N 1 0 396.329 2.574 20 0 GFADRO C[C@H]1c2cc(Cl)c(Cl)cc2CCN1C(=O)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000419915671 563253184 /nfs/dbraw/zinc/25/31/84/563253184.db2.gz PNFFOJBLXOZVSJ-RYUDHWBXSA-N 1 0 384.307 2.555 20 0 GFADRO Cc1cc(Br)ccc1C(=O)NC[C@H]1CCC[C@@H]1[NH+]1CCOCC1 ZINC000370771685 563254685 /nfs/dbraw/zinc/25/46/85/563254685.db2.gz JCMUNASULVOJJZ-PBHICJAKSA-N 1 0 381.314 2.988 20 0 GFADRO O=C(C[NH2+]CC1CC1)N1CCC[C@@H]1c1ccccc1I ZINC000370771997 563254743 /nfs/dbraw/zinc/25/47/43/563254743.db2.gz JBSUJCNIMDXSLW-OAHLLOKOSA-N 1 0 384.261 2.954 20 0 GFADRO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N(Cc1ccc(Br)cc1)C(C)C ZINC000419980355 563255324 /nfs/dbraw/zinc/25/53/24/563255324.db2.gz RKSMWYCZSYPDOQ-MRXNPFEDSA-N 1 0 398.345 2.676 20 0 GFADRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1CC=C(c2ccc(Cl)c(Cl)c2)CC1 ZINC000419986079 563255369 /nfs/dbraw/zinc/25/53/69/563255369.db2.gz XDZHHAACLRBOHC-GFCCVEGCSA-N 1 0 384.307 2.581 20 0 GFADRO Cc1cc2c(o1)c(C(=O)NC[C@@](C)(O)CC[NH+](C)C)ccc2Br ZINC000419996465 563256048 /nfs/dbraw/zinc/25/60/48/563256048.db2.gz LAEKUHMGEWHFPW-KRWDZBQOSA-N 1 0 383.286 2.936 20 0 GFADRO COC[C@H](C)OC[C@@H](O)C[N@H+](Cc1csc(Br)c1)C1CC1 ZINC000278459996 563257201 /nfs/dbraw/zinc/25/72/01/563257201.db2.gz YTQQORRUJDVJBM-FZMZJTMJSA-N 1 0 378.332 2.887 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)C(=O)N2CCc3cc(Cl)cc(Cl)c3[C@H]2C)CC[NH2+]1 ZINC000420114452 563258691 /nfs/dbraw/zinc/25/86/91/563258691.db2.gz FUMCMTFGTVQKHL-JTNHKYCSSA-N 1 0 384.307 2.696 20 0 GFADRO [NH3+]CCC(=O)NC[C@H]1CCCCN1c1ccc2cc(Br)ccc2n1 ZINC000420240493 563260521 /nfs/dbraw/zinc/26/05/21/563260521.db2.gz GQIMJKOQJGEXMB-OAHLLOKOSA-N 1 0 391.313 2.821 20 0 GFADRO Cn1cc([C@@H]2[C@H](CNC(=O)c3ccccc3Br)CCC[N@@H+]2C)cn1 ZINC000370928854 563260835 /nfs/dbraw/zinc/26/08/35/563260835.db2.gz QKYAOUBZMLMRAX-GUYCJALGSA-N 1 0 391.313 2.996 20 0 GFADRO CSCC[C@@H](O)C(=O)N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000295773635 563261732 /nfs/dbraw/zinc/26/17/32/563261732.db2.gz IRNLUZBSPISORN-LSDHHAIUSA-N 1 0 376.444 2.510 20 0 GFADRO C[C@@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)N1CCCO[C@@H](C[NH3+])C1 ZINC000420386687 563263036 /nfs/dbraw/zinc/26/30/36/563263036.db2.gz JIMCMXMCSPWAIS-JQWIXIFHSA-N 1 0 379.810 2.735 20 0 GFADRO Cc1ccc(Br)cc1S(=O)(=O)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420472714 563265085 /nfs/dbraw/zinc/26/50/85/563265085.db2.gz ZYXKMJNAAQMLHP-HIFRSBDPSA-N 1 0 387.343 2.910 20 0 GFADRO COc1ccc(S(=O)(=O)N2C[C@H]([NH3+])Cc3ccccc32)c(Br)c1 ZINC000420478585 563265908 /nfs/dbraw/zinc/26/59/08/563265908.db2.gz XFHDFOMQOCKIHM-GFCCVEGCSA-N 1 0 397.294 2.536 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]C[C@@H](OC)C(C)C ZINC000295894854 563266671 /nfs/dbraw/zinc/26/66/71/563266671.db2.gz YSBSHFDCGBVAPX-BLLLJJGKSA-N 1 0 387.318 2.723 20 0 GFADRO O=C(c1n[nH]c2ccc(Br)cc21)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000371234494 563269378 /nfs/dbraw/zinc/26/93/78/563269378.db2.gz FKMAIXHTWLPEOH-SMDDNHRTSA-N 1 0 377.286 2.930 20 0 GFADRO CCS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000371244255 563270127 /nfs/dbraw/zinc/27/01/27/563270127.db2.gz MYZGIPRRMVOTMZ-CXAGYDPISA-N 1 0 384.929 2.738 20 0 GFADRO C[NH+]1CCC([C@H]2CCN(C(=O)C(=O)Nc3cccc(Br)c3)C2)CC1 ZINC000371318354 563272378 /nfs/dbraw/zinc/27/23/78/563272378.db2.gz ISGBFLGCIXSRRN-AWEZNQCLSA-N 1 0 394.313 2.578 20 0 GFADRO Cc1cccc(NC(=O)C(=O)NC2CC[NH+](C3CCC3)CC2)c1Br ZINC000296054422 563273226 /nfs/dbraw/zinc/27/32/26/563273226.db2.gz BXKHPJAHQIGPQI-UHFFFAOYSA-N 1 0 394.313 2.829 20 0 GFADRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2S(=O)(=O)c2cc(F)ccc2OC(F)F)C1 ZINC000420686887 563273873 /nfs/dbraw/zinc/27/38/73/563273873.db2.gz CNJNKLLMFCJBHM-DGCLKSJQSA-N 1 0 378.416 2.532 20 0 GFADRO O=C(CC[NH2+][C@@H](c1cc(Cl)ccc1Cl)[C@@H]1CCOC1)N1CCOCC1 ZINC000371480542 563278160 /nfs/dbraw/zinc/27/81/60/563278160.db2.gz PARCHPIWVGRTNG-FZKQIMNGSA-N 1 0 387.307 2.910 20 0 GFADRO CCn1cc(Br)cc1C(=O)N1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000371468219 563278562 /nfs/dbraw/zinc/27/85/62/563278562.db2.gz ACUXGFVNSAIJCT-AWEZNQCLSA-N 1 0 397.361 2.511 20 0 GFADRO C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)C1CC[NH+](Cc2ccc(Cl)s2)CC1 ZINC000371458113 563278569 /nfs/dbraw/zinc/27/85/69/563278569.db2.gz ZCWLBQIJCQGIQE-OCCSQVGLSA-N 1 0 383.945 2.726 20 0 GFADRO C[C@H]([NH2+]C[C@H]1CCC[C@]12NC(=O)N(C)C2=O)c1ccc(F)cc1Br ZINC000371479520 563278599 /nfs/dbraw/zinc/27/85/99/563278599.db2.gz HOTBHELHOXXPSA-RVPKQNPDSA-N 1 0 398.276 2.959 20 0 GFADRO C[C@H]([NH2+]C[C@@H]1CCC[C@]12NC(=O)N(C)C2=O)c1ccc(F)c(Br)c1 ZINC000371481153 563279236 /nfs/dbraw/zinc/27/92/36/563279236.db2.gz UFIDOCWLJPOPSD-ZMNCSTGQSA-N 1 0 398.276 2.959 20 0 GFADRO NS(=O)(=O)c1ccc(OCC[NH2+][C@H]2CCCC[C@H]2CC(F)(F)F)cc1 ZINC000296327781 563282863 /nfs/dbraw/zinc/28/28/63/563282863.db2.gz PEQXQISTRMLBOV-WFASDCNBSA-N 1 0 380.432 2.814 20 0 GFADRO COc1c(C[NH+]2CCC(Cn3cc(Br)cn3)CC2)c(C)nn1C ZINC000371685326 563284182 /nfs/dbraw/zinc/28/41/82/563284182.db2.gz LAUSUYQZJLVWOQ-UHFFFAOYSA-N 1 0 382.306 2.608 20 0 GFADRO CN(C[C@H]1CCC[N@@H+]1C)S(=O)(=O)c1cc(Br)ccc1Cl ZINC000420772751 563285531 /nfs/dbraw/zinc/28/55/31/563285531.db2.gz VCKHKKNQYIGGOF-LLVKDONJSA-N 1 0 381.723 2.817 20 0 GFADRO Cc1csc(CNC(=O)N[C@@H]2CC[N@@H+](Cc3cnc(C)s3)C[C@H]2C)n1 ZINC000371741754 563286746 /nfs/dbraw/zinc/28/67/46/563286746.db2.gz NPMHNAVWTJCAKU-IAQYHMDHSA-N 1 0 379.555 2.926 20 0 GFADRO Cc1nn(C)c(CNCc2ccccc2OCC[NH+](C)C)c1Br ZINC000279240487 563289031 /nfs/dbraw/zinc/28/90/31/563289031.db2.gz ZVCFFIRPQJXXGG-UHFFFAOYSA-N 1 0 381.318 2.721 20 0 GFADRO Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)[NH2+]C[C@]1(O)CCS(=O)(=O)C1 ZINC000296558715 563292175 /nfs/dbraw/zinc/29/21/75/563292175.db2.gz SCDJIHLUPNNYHC-SCLBCKFNSA-N 1 0 380.535 2.627 20 0 GFADRO CCc1n[nH]c(C(=O)NCc2cccc(OCC[NH+](C)C)c2)c1Br ZINC000279322622 563292463 /nfs/dbraw/zinc/29/24/63/563292463.db2.gz XNKDDSLZGOQGMX-UHFFFAOYSA-N 1 0 395.301 2.605 20 0 GFADRO O=C(CC[N@H+]1CCC[C@@H]1Cc1ccccc1Br)N1CCOCC1 ZINC000420956993 563292516 /nfs/dbraw/zinc/29/25/16/563292516.db2.gz BGGWFEOGPPTYMT-MRXNPFEDSA-N 1 0 381.314 2.705 20 0 GFADRO O=C1CC[C@H](C[NH+]2CCN(Cc3ccc(Br)s3)CC2)CCN1 ZINC000296574570 563292678 /nfs/dbraw/zinc/29/26/78/563292678.db2.gz QRQHPQYHLOHTTQ-ZDUSSCGKSA-N 1 0 386.359 2.545 20 0 GFADRO COC1([C@@H](C)[NH2+]CC(=O)Nc2ccc(Br)cc2F)CCOCC1 ZINC000421029106 563293998 /nfs/dbraw/zinc/29/39/98/563293998.db2.gz HYYHFHOOQZGQRM-LLVKDONJSA-N 1 0 389.265 2.700 20 0 GFADRO COCCOC[C@@H](O)C[N@@H+]1CCCC[C@H]1Cc1cccc(Br)c1 ZINC000421029414 563294190 /nfs/dbraw/zinc/29/41/90/563294190.db2.gz AUYXCHQQPSARQX-ROUUACIJSA-N 1 0 386.330 2.870 20 0 GFADRO COC1([C@@H](C)[NH2+]CC(=O)Nc2ccc(Br)c(C)c2)CCOCC1 ZINC000421042316 563294282 /nfs/dbraw/zinc/29/42/82/563294282.db2.gz ZGOLYJNNCUCDGD-CYBMUJFWSA-N 1 0 385.302 2.870 20 0 GFADRO COC1([C@@H](C)[NH2+]CCS(=O)(=O)c2cc(Cl)ccc2Cl)CCOCC1 ZINC000421040804 563294321 /nfs/dbraw/zinc/29/43/21/563294321.db2.gz XSYWCINYRYCURH-GFCCVEGCSA-N 1 0 396.336 2.941 20 0 GFADRO [NH3+][C@@H]1CN(S(=O)(=O)c2cnc(Cl)c(Cl)c2)C[C@@H]1c1ccc(F)cc1 ZINC000372179813 563297773 /nfs/dbraw/zinc/29/77/73/563297773.db2.gz ORICBIXGLLIVOJ-TZMCWYRMSA-N 1 0 390.267 2.643 20 0 GFADRO CC[NH+](CC)CC(=O)Nc1cc(Br)cc(C(=O)N2CCCC2)c1 ZINC000279615232 563303235 /nfs/dbraw/zinc/30/32/35/563303235.db2.gz RIIJABQQTTXZDF-UHFFFAOYSA-N 1 0 382.302 2.965 20 0 GFADRO Cc1ccc(-c2csc(NC(=O)C(=O)N(C)C[C@H]3CCC[N@@H+]3C)n2)s1 ZINC000421297231 563305721 /nfs/dbraw/zinc/30/57/21/563305721.db2.gz LBFKJKKDTIMNOG-GFCCVEGCSA-N 1 0 378.523 2.671 20 0 GFADRO O=C(NCc1cc(Br)ccc1OC(F)F)[C@H]1C[C@]12CC[NH2+]C2 ZINC000372425487 563306475 /nfs/dbraw/zinc/30/64/75/563306475.db2.gz IIXKRDXTPFLXMB-ABAIWWIYSA-N 1 0 375.213 2.666 20 0 GFADRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)Nc1ccc(C(F)(F)F)cc1Cl ZINC000421300799 563306837 /nfs/dbraw/zinc/30/68/37/563306837.db2.gz OYZSTZUVSJPRLV-NSHDSACASA-N 1 0 377.794 2.850 20 0 GFADRO O=C(N[C@H]1CCC[NH2+]CC1)c1nn(-c2ccc(F)cc2)cc1Br ZINC000372444246 563307075 /nfs/dbraw/zinc/30/70/75/563307075.db2.gz CPXKICFDVOOBDE-LBPRGKRZSA-N 1 0 381.249 2.646 20 0 GFADRO NC(=O)[C@H]1CC[C@H](C[NH2+]Cc2ccc(F)cc2I)CC1 ZINC000421348364 563308021 /nfs/dbraw/zinc/30/80/21/563308021.db2.gz FLJBFFWTPRSCNX-XYPYZODXSA-N 1 0 390.240 2.812 20 0 GFADRO Cc1nc(C(=O)N2[C@@H]3CC[C@H]2C[C@@H]([NH3+])C3)nn1-c1c(Cl)cccc1Cl ZINC000372492642 563308568 /nfs/dbraw/zinc/30/85/68/563308568.db2.gz SGIXXUIWPCJJLM-ZSBIGDGJSA-N 1 0 380.279 2.977 20 0 GFADRO CC(C)(O)C[N@@H+]1CCCN(C(=O)c2[nH]c3ccccc3c2Br)CC1 ZINC000372497066 563308631 /nfs/dbraw/zinc/30/86/31/563308631.db2.gz RYBHMZAIMJEIJX-UHFFFAOYSA-N 1 0 394.313 2.849 20 0 GFADRO Cc1nc2ccc(Br)cn2c1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000296950621 563309549 /nfs/dbraw/zinc/30/95/49/563309549.db2.gz JMWRUOGKXDMROK-AGUYFDCRSA-N 1 0 377.286 2.760 20 0 GFADRO CC1(C)[C@@H]2OCCC[C@H]2[C@]1([NH3+])C(=O)NCc1ccc(Br)c(F)c1 ZINC000372569586 563310721 /nfs/dbraw/zinc/31/07/21/563310721.db2.gz JBKBGGRFMJVSQP-ZLENFMNRSA-N 1 0 385.277 2.737 20 0 GFADRO O=S(=O)(c1ccc(Cl)s1)N1CCCN(CCc2cscn2)CC1 ZINC000297048485 563314117 /nfs/dbraw/zinc/31/41/17/563314117.db2.gz IGCAKQVZWSABKH-UHFFFAOYSA-N 1 0 391.971 2.797 20 0 GFADRO CC1(C)C[C@H]([NH2+]CCOCCS(C)(=O)=O)c2cc(Br)ccc21 ZINC000280009272 563318283 /nfs/dbraw/zinc/31/82/83/563318283.db2.gz GOYTWSWXHGIRLL-HNNXBMFYSA-N 1 0 390.343 2.822 20 0 GFADRO C[C@@H]([NH2+]C[C@@H]1CC(=O)N(C)[C@H]1c1cnn(C)c1)c1ncc(Br)s1 ZINC000372874769 563320818 /nfs/dbraw/zinc/32/08/18/563320818.db2.gz CMODOTHACDFDAX-ISTVAULSSA-N 1 0 398.330 2.509 20 0 GFADRO Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000297281492 563322394 /nfs/dbraw/zinc/32/23/94/563322394.db2.gz WMOVCYLSZYYFMN-UHFFFAOYSA-N 1 0 378.826 2.997 20 0 GFADRO COc1cc(Cl)ccc1[C@H](C)[NH2+]C[C@@H](O)CS(=O)(=O)c1cccs1 ZINC000421832880 563322549 /nfs/dbraw/zinc/32/25/49/563322549.db2.gz IABUJRGJBTVASU-WCQYABFASA-N 1 0 389.926 2.896 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2nc3cc(Br)ccn3n2)[C@@H](C)C1 ZINC000297332697 563323463 /nfs/dbraw/zinc/32/34/63/563323463.db2.gz NACACONDFHDGHD-WCQYABFASA-N 1 0 395.305 2.686 20 0 GFADRO CCS(=O)(=O)c1ccc(CNC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)s1 ZINC000280123885 563323866 /nfs/dbraw/zinc/32/38/66/563323866.db2.gz YOZRYVZBRLBOGN-UHFFFAOYSA-N 1 0 387.571 2.650 20 0 GFADRO CC(C)[NH2+]C1CCN(C(=O)NCCCCn2cc(Br)cn2)CC1 ZINC000280172577 563325647 /nfs/dbraw/zinc/32/56/47/563325647.db2.gz CKCNBWQJBSERSM-UHFFFAOYSA-N 1 0 386.338 2.598 20 0 GFADRO Cn1nc(Br)cc1C(=O)N1C[C@H]2[C@@H](C1)C[N@H+](C)[C@@H]2c1ccccc1 ZINC000373038850 563326991 /nfs/dbraw/zinc/32/69/91/563326991.db2.gz XEJKEGVEKSSWKR-JKIFEVAISA-N 1 0 389.297 2.558 20 0 GFADRO CN(C)S(=O)(=O)c1cc(NC(=O)C[N@@H+]2CCCC23CCC3)ccc1Cl ZINC000373096250 563328250 /nfs/dbraw/zinc/32/82/50/563328250.db2.gz CMCHVFPFOBWXKG-UHFFFAOYSA-N 1 0 385.917 2.547 20 0 GFADRO C[C@@H]1C[C@@H](N(C)C(=O)C(=O)N(C)Cc2ccc(Cl)c(Cl)c2)CC[N@@H+]1C ZINC000297573822 563329474 /nfs/dbraw/zinc/32/94/74/563329474.db2.gz BEYRREBEYBSGKG-OCCSQVGLSA-N 1 0 386.323 2.893 20 0 GFADRO C[NH+](C)C1CCN(CCNC(=O)N2CCc3c2cccc3Br)CC1 ZINC000422184306 563333135 /nfs/dbraw/zinc/33/31/35/563333135.db2.gz PJEPDAQPGSYQFV-UHFFFAOYSA-N 1 0 395.345 2.547 20 0 GFADRO CCS(=O)(=O)c1ccc(C[NH2+][C@@H]2CCN(C[C@@H]3CCCO3)C[C@H]2C)s1 ZINC000373486940 563340234 /nfs/dbraw/zinc/34/02/34/563340234.db2.gz UMJCLHTWDTVZPI-HLLBOEOZSA-N 1 0 386.583 2.521 20 0 GFADRO Cc1cc([C@H](C)[NH2+]C[C@H]2CCn3ncc(C(N)=O)c3C2)ccc1Br ZINC000373562601 563342442 /nfs/dbraw/zinc/34/24/42/563342442.db2.gz REILSADLCOCTKS-STQMWFEESA-N 1 0 391.313 2.966 20 0 GFADRO C[C@H]1C[N@H+](CCC(=O)Nc2ccc(Br)cc2)C[C@@]2(CCOC2)O1 ZINC000280578918 563344659 /nfs/dbraw/zinc/34/46/59/563344659.db2.gz SOXDXZLRXUOHPX-SUMWQHHRSA-N 1 0 383.286 2.658 20 0 GFADRO C[N@@H+]1CC[C@H]2CCN(C(=O)c3cnnn3-c3c(Cl)cccc3Cl)C[C@@H]21 ZINC000373703130 563347924 /nfs/dbraw/zinc/34/79/24/563347924.db2.gz SOUHHLAUERZYHB-NHYWBVRUSA-N 1 0 380.279 2.740 20 0 GFADRO O=S1(=O)CC[C@@H]([NH2+]C2CCN(c3cc4ccccc4c(Cl)n3)CC2)C1 ZINC000373795131 563351417 /nfs/dbraw/zinc/35/14/17/563351417.db2.gz LVWKJDROFZCKIK-OAHLLOKOSA-N 1 0 379.913 2.634 20 0 GFADRO [NH3+][C@@H]1C[C@H](NC[C@H](O)COc2ccccc2Br)c2ccccc21 ZINC000422938460 563351550 /nfs/dbraw/zinc/35/15/50/563351550.db2.gz KXCYQCRXUXPIRL-VUCTXSBTSA-N 1 0 377.282 2.923 20 0 GFADRO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000422999991 563352247 /nfs/dbraw/zinc/35/22/47/563352247.db2.gz GKTPPASWEOHPKR-XEZPLFJOSA-N 1 0 384.307 2.538 20 0 GFADRO C[C@@H]1CC[NH2+][C@@H](C(=O)N2CCN(C(=O)c3cc(Cl)cc(Cl)c3)CC2)C1 ZINC000422980363 563352310 /nfs/dbraw/zinc/35/23/10/563352310.db2.gz LRQGIYIPIBSJMP-MLGOLLRUSA-N 1 0 384.307 2.666 20 0 GFADRO C[C@H]1CC[NH2+][C@H](C(=O)N2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)C1 ZINC000422964407 563352373 /nfs/dbraw/zinc/35/23/73/563352373.db2.gz LMQQUNURBHLQJF-LRDDRELGSA-N 1 0 384.307 2.666 20 0 GFADRO COC(=O)C[C@H](NC(=O)[C@H]1CCC[NH2+][C@H]1C)c1ccc(Br)cc1 ZINC000423014231 563353147 /nfs/dbraw/zinc/35/31/47/563353147.db2.gz OMJSJBYGOBCCOW-CQDKDKBSSA-N 1 0 383.286 2.558 20 0 GFADRO [NH3+]CC1(CC(=O)NCC2(c3cccc(Br)c3)CCOCC2)CC1 ZINC000423056528 563353881 /nfs/dbraw/zinc/35/38/81/563353881.db2.gz YETNLSJRUKURRU-UHFFFAOYSA-N 1 0 381.314 2.743 20 0 GFADRO COc1cc(I)c(Cl)cc1CN[C@@H]1CCC[C@H]1[NH3+] ZINC000423092582 563354550 /nfs/dbraw/zinc/35/45/50/563354550.db2.gz CKVPAGCQYYOHQM-VXGBXAGGSA-N 1 0 380.657 2.923 20 0 GFADRO C[C@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)C(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000423109550 563355135 /nfs/dbraw/zinc/35/51/35/563355135.db2.gz HQAQOKNHJRQMAF-XBFCOCLRSA-N 1 0 384.307 2.581 20 0 GFADRO CCOC(=O)[C@@H]1NCC[C@@H]1[NH2+][C@H]1C[C@H](c2ccc(F)c(Br)c2)C1 ZINC000423099347 563355308 /nfs/dbraw/zinc/35/53/08/563355308.db2.gz TWNZTOGRTWOSON-GVAFMPQTSA-N 1 0 385.277 2.717 20 0 GFADRO C[C@@H](C[C@H]1COCCN1)[NH2+]Cc1ccc(I)c(Cl)c1 ZINC000423117693 563356105 /nfs/dbraw/zinc/35/61/05/563356105.db2.gz WTHHOQWCHVZGDI-JQWIXIFHSA-N 1 0 394.684 2.801 20 0 GFADRO O=C(Cc1cc2c(cc1Br)OCCO2)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000373937330 563356445 /nfs/dbraw/zinc/35/64/45/563356445.db2.gz KFEKPBAGESALIR-KGLIPLIRSA-N 1 0 395.297 2.506 20 0 GFADRO CCOC(=O)[C@H]1NCC[C@@H]1[NH2+]CC1(c2ccccc2Br)CCC1 ZINC000423138324 563357232 /nfs/dbraw/zinc/35/72/32/563357232.db2.gz XTBHJUKZYPXMLB-HOTGVXAUSA-N 1 0 381.314 2.754 20 0 GFADRO C[N@@H+]1CCCN(C(=O)c2ccccc2NC(=O)[C@@]2(C)CC2(Cl)Cl)CC1 ZINC000373998495 563357774 /nfs/dbraw/zinc/35/77/74/563357774.db2.gz QJYWVJPVSGBUHW-QGZVFWFLSA-N 1 0 384.307 2.987 20 0 GFADRO Cc1cccc(CC[NH2+][C@H](C)c2ccc(Br)c(S(N)(=O)=O)c2)n1 ZINC000280897792 563359418 /nfs/dbraw/zinc/35/94/18/563359418.db2.gz FAAZXWABUHLAIH-GFCCVEGCSA-N 1 0 398.326 2.693 20 0 GFADRO CC[C@@H](Cc1ccccc1Br)NC(=O)c1cn(CCCC[NH3+])nn1 ZINC000423282732 563359743 /nfs/dbraw/zinc/35/97/43/563359743.db2.gz WWIIRUNZPXKSMQ-AWEZNQCLSA-N 1 0 394.317 2.531 20 0 GFADRO CC[C@@H](CSC)[NH2+][C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000280901889 563360142 /nfs/dbraw/zinc/36/01/42/563360142.db2.gz FKJZLJVBBGEIST-ONGXEEELSA-N 1 0 381.361 2.889 20 0 GFADRO C[NH2+]CCCN(C)C(=O)C(=O)N(Cc1ccccc1Br)CC(C)C ZINC000423523090 563362057 /nfs/dbraw/zinc/36/20/57/563362057.db2.gz VKIFVAUJSPQUSU-UHFFFAOYSA-N 1 0 398.345 2.502 20 0 GFADRO C[C@H]1c2cc(Cl)c(Cl)cc2CCN1C(=O)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000423565893 563362194 /nfs/dbraw/zinc/36/21/94/563362194.db2.gz UZTRHBXREJPLPF-NSHDSACASA-N 1 0 386.323 2.882 20 0 GFADRO Cc1nc2c(s1)[C@H]([N@H+](C)CCC(=O)Nc1sccc1C(N)=O)CCC2 ZINC000298701233 563363954 /nfs/dbraw/zinc/36/39/54/563363954.db2.gz SZHVGVLEJKTHLJ-CYBMUJFWSA-N 1 0 378.523 2.950 20 0 GFADRO COC(=O)c1cc(NC(=O)[C@@H](C(C)C)[C@@H](C)[NH3+])cc(Br)c1F ZINC000423920416 563364390 /nfs/dbraw/zinc/36/43/90/563364390.db2.gz VUUSXOMQZKDEGD-PELKAZGASA-N 1 0 375.238 2.933 20 0 GFADRO C[C@]1(C2CC[NH+](CCOc3cc(Cl)ccc3Cl)CC2)NC(=O)NC1=O ZINC000374202422 563364625 /nfs/dbraw/zinc/36/46/25/563364625.db2.gz RVFJRAVUOJDFGA-QGZVFWFLSA-N 1 0 386.279 2.682 20 0 GFADRO Cc1sc(C(=O)N[C@@H](CCC[NH3+])c2ccccc2)cc1CS(C)(=O)=O ZINC000423980110 563366482 /nfs/dbraw/zinc/36/64/82/563366482.db2.gz YIOUTBIDZNDWJP-INIZCTEOSA-N 1 0 380.535 2.811 20 0 GFADRO C[C@@H]1CCN(C(=O)c2[nH]nc(-c3ccccc3)c2Br)C[C@H]1C[NH3+] ZINC000424006228 563366827 /nfs/dbraw/zinc/36/68/27/563366827.db2.gz GDIHGFPWOMCTLG-DGCLKSJQSA-N 1 0 377.286 2.896 20 0 GFADRO C[C@H]1CCN(C(=O)c2[nH]nc(-c3ccccc3)c2Br)C[C@H]1C[NH3+] ZINC000424006231 563367201 /nfs/dbraw/zinc/36/72/01/563367201.db2.gz GDIHGFPWOMCTLG-WCQYABFASA-N 1 0 377.286 2.896 20 0 GFADRO C[NH2+]CCCN(C)C(=O)c1cc(Cl)c(I)cc1OC ZINC000424029002 563368027 /nfs/dbraw/zinc/36/80/27/563368027.db2.gz FSCFYLONAMBLOG-UHFFFAOYSA-N 1 0 396.656 2.635 20 0 GFADRO COc1cc(C(=O)N2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)cc(OC)c1Br ZINC000424051407 563368625 /nfs/dbraw/zinc/36/86/25/563368625.db2.gz JMRMGXAERYJREE-MDZLAQPJSA-N 1 0 385.302 2.912 20 0 GFADRO C[C@@H]([NH2+][C@H](CO)CC1CCC1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000281214136 563369843 /nfs/dbraw/zinc/36/98/43/563369843.db2.gz SVNJBVCONLVLJV-KOLCDFICSA-N 1 0 381.325 2.843 20 0 GFADRO O=C(Nc1ccc(Br)cc1)C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000298947103 563371827 /nfs/dbraw/zinc/37/18/27/563371827.db2.gz KQYJMQUOFQJIEL-UHFFFAOYSA-N 1 0 394.313 2.865 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2C(=O)COc1ccc(Br)cc1 ZINC000374424999 563372003 /nfs/dbraw/zinc/37/20/03/563372003.db2.gz XZSOYZINXFBGMX-HYVNUMGLSA-N 1 0 397.313 2.538 20 0 GFADRO O=S(=O)(C1CCOCC1)N1CCC([NH2+][C@H]2CCCc3sccc32)CC1 ZINC000374497356 563373980 /nfs/dbraw/zinc/37/39/80/563373980.db2.gz PVIGHVFHKMQKPI-KRWDZBQOSA-N 1 0 384.567 2.688 20 0 GFADRO COc1cc([C@H](C)[NH2+][C@@H]2CCO[C@@H]2C2CC2)ccc1S(=O)(=O)C(F)F ZINC000374498772 563374425 /nfs/dbraw/zinc/37/44/25/563374425.db2.gz WNFNQKBFGLSXKI-OWRWGESLSA-N 1 0 375.437 2.910 20 0 GFADRO CN(CCC[NH+]1CCCC1)C(=O)Nc1ccc(NS(C)(=O)=O)c(Cl)c1 ZINC000281353203 563374806 /nfs/dbraw/zinc/37/48/06/563374806.db2.gz LODCTIHTQYWDCT-UHFFFAOYSA-N 1 0 388.921 2.661 20 0 GFADRO C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc(C2([NH3+])CCCCC2)no1 ZINC000424332006 563375848 /nfs/dbraw/zinc/37/58/48/563375848.db2.gz BNWFMGKBWFNSAS-LLVKDONJSA-N 1 0 384.889 2.881 20 0 GFADRO CC(=O)c1ccc(Cl)c(S(=O)(=O)N2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@@H]3C2)c1 ZINC000374553863 563376012 /nfs/dbraw/zinc/37/60/12/563376012.db2.gz HGLHKQDELJXFLA-ZMSDIMECSA-N 1 0 382.913 2.647 20 0 GFADRO CCOc1cc(CN2CC[C@@H]3NC(=O)OC[C@H]3C2)cc(Br)c1OC ZINC000281393451 563376108 /nfs/dbraw/zinc/37/61/08/563376108.db2.gz WZTCZRJEYSOMFP-OCCSQVGLSA-N 1 0 399.285 2.787 20 0 GFADRO CN(Cc1nc(C2([NH3+])CCCCC2)no1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000424340156 563376273 /nfs/dbraw/zinc/37/62/73/563376273.db2.gz SAHBERWTMPELDT-UHFFFAOYSA-N 1 0 384.889 2.662 20 0 GFADRO C[C@@H]1CC2(CN1S(=O)(=O)c1ccc(CC(F)(F)F)cc1)CC[NH2+]CC2 ZINC000424387568 563377358 /nfs/dbraw/zinc/37/73/58/563377358.db2.gz GCBJTDWOGGASPS-CYBMUJFWSA-N 1 0 376.444 2.944 20 0 GFADRO Cc1ccc(Br)cc1S(=O)(=O)N1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424393021 563378064 /nfs/dbraw/zinc/37/80/64/563378064.db2.gz QPJZIWNEXQCNCA-CYBMUJFWSA-N 1 0 387.343 2.910 20 0 GFADRO Cc1cc(Br)ccc1S(=O)(=O)N1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424390005 563378103 /nfs/dbraw/zinc/37/81/03/563378103.db2.gz IZSYGYFBCKQMLM-CYBMUJFWSA-N 1 0 387.343 2.910 20 0 GFADRO NC(=O)NC(=O)OCCC[N@@H+]1CCC[C@H]1c1ccc(Br)s1 ZINC000374611955 563378225 /nfs/dbraw/zinc/37/82/25/563378225.db2.gz NISPUPIWHSQQJD-VIFPVBQESA-N 1 0 376.276 2.843 20 0 GFADRO Cn1ccnc1[C@](O)(C[NH2+]Cc1ccc(Br)cc1)C(F)(F)F ZINC000299323393 563381336 /nfs/dbraw/zinc/38/13/36/563381336.db2.gz IQNDRAKBTOTGII-CYBMUJFWSA-N 1 0 378.192 2.722 20 0 GFADRO Cc1csc([C@](O)(CC(=O)NCCC[NH+]2CCCCC2)C(F)(F)F)n1 ZINC000299319550 563381441 /nfs/dbraw/zinc/38/14/41/563381441.db2.gz GRODKJGQIFMPJO-OAHLLOKOSA-N 1 0 379.448 2.584 20 0 GFADRO COc1c(Br)ccc(C)c1C(=O)NCCCC[NH+]1CCOCC1 ZINC000424585072 563382427 /nfs/dbraw/zinc/38/24/27/563382427.db2.gz BPKZOJDQIQLLHB-UHFFFAOYSA-N 1 0 385.302 2.608 20 0 GFADRO O=S(=O)(NC1CC[NH+](C2CC2)CC1)c1ccc(OCC(F)(F)F)cc1 ZINC000299446526 563383468 /nfs/dbraw/zinc/38/34/68/563383468.db2.gz MOXQZPRXUVPMMT-UHFFFAOYSA-N 1 0 378.416 2.533 20 0 GFADRO COc1ccc(Br)c(CC(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)c1 ZINC000374855961 563384448 /nfs/dbraw/zinc/38/44/48/563384448.db2.gz JOVRSPKULJAPBY-QGZVFWFLSA-N 1 0 381.314 2.991 20 0 GFADRO Cc1oc(Br)cc1C(=O)N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000424633192 563385007 /nfs/dbraw/zinc/38/50/07/563385007.db2.gz VYPWFZWMBDTSGG-KBPBESRZSA-N 1 0 398.345 2.981 20 0 GFADRO C[N@@H+]1CCN(CCNC(=O)C[C@@H](O)c2cc(Cl)cc(Cl)c2)CC1(C)C ZINC000281724892 563385170 /nfs/dbraw/zinc/38/51/70/563385170.db2.gz ITUPIXLFRUCWIR-MRXNPFEDSA-N 1 0 388.339 2.559 20 0 GFADRO C[C@H](CC[NH+](C)C)NC(=O)[C@@H]1CCCN1C(=O)c1ccc(Br)cc1 ZINC000299573276 563386283 /nfs/dbraw/zinc/38/62/83/563386283.db2.gz BAWATXFYZMZPFX-CJNGLKHVSA-N 1 0 396.329 2.510 20 0 GFADRO CC[N@@H+]1CC[C@H](CNC(=O)c2cc(F)ccc2I)C1 ZINC000299599860 563386912 /nfs/dbraw/zinc/38/69/12/563386912.db2.gz HBUKIUMDPDFCEH-SNVBAGLBSA-N 1 0 376.213 2.502 20 0 GFADRO C[N@@H+]1CC[C@H]2CCN(C(=O)c3cnn(-c4ccc(Br)cc4)c3)C[C@@H]21 ZINC000375014289 563388117 /nfs/dbraw/zinc/38/81/17/563388117.db2.gz AQBSKCUDTWYCFX-GUYCJALGSA-N 1 0 389.297 2.801 20 0 GFADRO Cc1oc(Br)cc1C(=O)N1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000424731810 563389489 /nfs/dbraw/zinc/38/94/89/563389489.db2.gz GSFRTUJNUWIFFI-UHFFFAOYSA-N 1 0 398.345 2.981 20 0 GFADRO CC[NH+](CC)CCOCCNC(=O)c1c(C)ccc(Br)c1OC ZINC000424790800 563392195 /nfs/dbraw/zinc/39/21/95/563392195.db2.gz YBRWBGKGAWSHCM-UHFFFAOYSA-N 1 0 387.318 2.854 20 0 GFADRO CCCN(CCN1CC[NH+](CC)CC1)C(=O)c1cc(Br)oc1C ZINC000424819541 563393470 /nfs/dbraw/zinc/39/34/70/563393470.db2.gz AHNHTFGEDKVYEJ-UHFFFAOYSA-N 1 0 386.334 2.840 20 0 GFADRO Cn1ncc(Br)c1C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000425005686 563400495 /nfs/dbraw/zinc/40/04/95/563400495.db2.gz LKBHMIYQKGFVFL-GOEBONIOSA-N 1 0 389.297 2.529 20 0 GFADRO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)Nc1ccc(Br)cn1 ZINC000301355721 563401582 /nfs/dbraw/zinc/40/15/82/563401582.db2.gz KRSXYZWPQHRRMM-CQSZACIVSA-N 1 0 376.302 2.862 20 0 GFADRO C[N@@H+]1C[C@@H]2CCCN(C(=O)c3ccccc3-n3cc(Br)cn3)[C@@H]2C1 ZINC000425066505 563402469 /nfs/dbraw/zinc/40/24/69/563402469.db2.gz OXIZNXGLMWFVLE-SUMWQHHRSA-N 1 0 389.297 2.801 20 0 GFADRO CCOCCOc1ccc(Br)cc1C[NH2+]CC1([S@](C)=O)CC1 ZINC000282238795 563403101 /nfs/dbraw/zinc/40/31/01/563403101.db2.gz FXWUQOOFMIXQHA-QFIPXVFZSA-N 1 0 390.343 2.865 20 0 GFADRO O=C(CN1CCC[C@@H]1c1nc(-c2cccc(Br)c2)no1)NC1CC1 ZINC000375462511 563405782 /nfs/dbraw/zinc/40/57/82/563405782.db2.gz OFTIZWXWQOXQAV-CQSZACIVSA-N 1 0 391.269 2.915 20 0 GFADRO COc1cc(Br)ccc1CCCN1CCC[N@@H+]([C@@H](C)CO)CC1 ZINC000375497252 563407120 /nfs/dbraw/zinc/40/71/20/563407120.db2.gz RBTWPVPUULASHW-HNNXBMFYSA-N 1 0 385.346 2.779 20 0 GFADRO Cc1cc(Br)cnc1NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000301557892 563407516 /nfs/dbraw/zinc/40/75/16/563407516.db2.gz SZPHUVINQMQKFB-QGZVFWFLSA-N 1 0 376.298 2.984 20 0 GFADRO Cc1cc(C)c(NC(=O)N2CCC[N@@H+]([C@H](C)CO)CC2)cc1Br ZINC000375494318 563407493 /nfs/dbraw/zinc/40/74/93/563407493.db2.gz KRTHGCFKSBKKQF-CQSZACIVSA-N 1 0 384.318 2.986 20 0 GFADRO C[NH+]1CCN(Cc2cccc(C(=O)N3CCC=C(Br)C3)c2)CC1 ZINC000282352798 563407902 /nfs/dbraw/zinc/40/79/02/563407902.db2.gz PKMPBDCQXSSJDK-UHFFFAOYSA-N 1 0 378.314 2.559 20 0 GFADRO NC(=O)[C@@H]1C[N@H+](CCC(=O)Nc2cc(Cl)ccc2Cl)C[C@H]1C(F)(F)F ZINC000375512084 563408383 /nfs/dbraw/zinc/40/83/83/563408383.db2.gz LROWGWSJWLRBHD-NXEZZACHSA-N 1 0 398.212 2.918 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)c(C)c1C[N@H+](C)CCOCCO ZINC000282425432 563410664 /nfs/dbraw/zinc/41/06/64/563410664.db2.gz DXNKCLUFOVLMSO-UHFFFAOYSA-N 1 0 382.302 2.692 20 0 GFADRO C[N@@H+]1C[C@@H]2CCCN(S(=O)(=O)c3ccc(Cl)cc3Br)[C@@H]2C1 ZINC000425214439 563412112 /nfs/dbraw/zinc/41/21/12/563412112.db2.gz JOACWHNVMJSUST-GXFFZTMASA-N 1 0 393.734 2.817 20 0 GFADRO O=C(CCCS(=O)(=O)c1ccc(Cl)cc1)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000375640825 563412419 /nfs/dbraw/zinc/41/24/19/563412419.db2.gz INFLHYCIZPFATH-HOTGVXAUSA-N 1 0 384.929 2.637 20 0 GFADRO Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)[NH2+][C@@H]1CCO[C@]2(CCSC2)C1 ZINC000375655477 563413113 /nfs/dbraw/zinc/41/31/13/563413113.db2.gz COSKYRUDBVKXTJ-HDMKZQKVSA-N 1 0 384.567 2.656 20 0 GFADRO COc1cc2[nH+]ccc(N3CCC(NC(N)=O)CC3)c2cc1Br ZINC000425236999 563414359 /nfs/dbraw/zinc/41/43/59/563414359.db2.gz RINJUZGXKKIXAL-UHFFFAOYSA-N 1 0 379.258 2.643 20 0 GFADRO COc1cc2[nH+]ccc(NCCC3(O)CCOCC3)c2cc1Br ZINC000425248620 563414566 /nfs/dbraw/zinc/41/45/66/563414566.db2.gz AKKVBMDJOUPEHF-UHFFFAOYSA-N 1 0 381.270 2.771 20 0 GFADRO COc1cc2[nH+]ccc(NC[C@H]3CCOC[C@H]3OC)c2cc1Br ZINC000425256525 563414923 /nfs/dbraw/zinc/41/49/23/563414923.db2.gz BQBASWGHGKFUBR-PIGZYNQJSA-N 1 0 381.270 2.891 20 0 GFADRO COc1cc2[nH+]ccc(NCC3(N4CCOCC4)CC3)c2cc1Br ZINC000425264887 563415635 /nfs/dbraw/zinc/41/56/35/563415635.db2.gz YDYPAKMEKCCTEM-UHFFFAOYSA-N 1 0 392.297 2.705 20 0 GFADRO COc1cc2[nH+]ccc(N3CC[C@@H](CS(C)(=O)=O)C3)c2cc1Br ZINC000425267047 563416403 /nfs/dbraw/zinc/41/64/03/563416403.db2.gz KNKLOUNHNRFESK-LLVKDONJSA-N 1 0 399.310 2.877 20 0 GFADRO CC(C)n1cc([C@H](C)[NH2+]C[C@@H]2CCN(S(=O)(=O)c3cccs3)C2)cn1 ZINC000375840833 563420727 /nfs/dbraw/zinc/42/07/27/563420727.db2.gz QLPBYUQHHMGHGR-GJZGRUSLSA-N 1 0 382.555 2.887 20 0 GFADRO C[C@@H]1OCC[C@@]12C[N@H+](CCC(=O)Nc1ccc(Br)cc1)CCO2 ZINC000375927805 563423364 /nfs/dbraw/zinc/42/33/64/563423364.db2.gz NWCHIUUGOSZTJF-SUMWQHHRSA-N 1 0 383.286 2.658 20 0 GFADRO CC(C)[C@H]1C[N@H+](C)CCN1CC(=O)N(C)Cc1ccccc1Br ZINC000425468141 563423867 /nfs/dbraw/zinc/42/38/67/563423867.db2.gz DBHSVAVSPNUWAR-QGZVFWFLSA-N 1 0 382.346 2.680 20 0 GFADRO COCC(C)(C)[NH+]1CCN(C[C@@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000425507318 563425452 /nfs/dbraw/zinc/42/54/52/563425452.db2.gz MGTYIBKOYZATTJ-OAHLLOKOSA-N 1 0 391.339 2.776 20 0 GFADRO COCC(C)(C)[NH+]1CCN(C(=O)NCCc2cccc(Br)c2)CC1 ZINC000425556886 563427371 /nfs/dbraw/zinc/42/73/71/563427371.db2.gz AQDDMKBKGCSUKY-UHFFFAOYSA-N 1 0 398.345 2.744 20 0 GFADRO CCSCCC[NH2+][C@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000282949199 563430375 /nfs/dbraw/zinc/43/03/75/563430375.db2.gz ZDQPQOGPDQWFCH-SNVBAGLBSA-N 1 0 381.361 2.890 20 0 GFADRO O=C(COc1cc(Cl)ccc1Cl)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000302906867 563432082 /nfs/dbraw/zinc/43/20/82/563432082.db2.gz CXRQBCTVYZHZFP-UHFFFAOYSA-N 1 0 386.323 2.612 20 0 GFADRO C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000303511544 563433237 /nfs/dbraw/zinc/43/32/37/563433237.db2.gz CJKVLKUASBULOP-STQMWFEESA-N 1 0 386.323 2.923 20 0 GFADRO O=C([C@@H]1C[C@@H]1c1cccc(Br)c1)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000376225916 563433587 /nfs/dbraw/zinc/43/35/87/563433587.db2.gz LLASDZFHXSDTIN-TVFCKZIOSA-N 1 0 393.325 2.610 20 0 GFADRO C[C@H](C[N@H+](C)Cc1ccccc1)NS(=O)(=O)c1cncc(Br)c1 ZINC000309881577 563434873 /nfs/dbraw/zinc/43/48/73/563434873.db2.gz JRVQHGUOGJUZOJ-CYBMUJFWSA-N 1 0 398.326 2.643 20 0 GFADRO CCN1CC[NH+](C[C@H](C)CNC(=O)Nc2ncc(C(F)(F)F)s2)CC1 ZINC000283173839 563437657 /nfs/dbraw/zinc/43/76/57/563437657.db2.gz DLDQYWVKAOLJJH-LLVKDONJSA-N 1 0 379.452 2.557 20 0 GFADRO CCOc1ccc(Br)cc1S(=O)(=O)N(C)CC[C@@H]([NH3+])C(C)C ZINC000317279723 563442426 /nfs/dbraw/zinc/44/24/26/563442426.db2.gz QZRGSZHPGDQOJR-CYBMUJFWSA-N 1 0 393.347 2.842 20 0 GFADRO [NH3+][C@@H]1CCC[C@]12CCN(C(=O)c1cc(F)ccc1I)C2 ZINC000376457885 563443072 /nfs/dbraw/zinc/44/30/72/563443072.db2.gz KXUAPIISJAANRM-UKRRQHHQSA-N 1 0 388.224 2.774 20 0 GFADRO C[C@H](c1ncc(Br)cn1)N1CC[C@H]2[C@@H](CCC(=O)N2C2CC2)C1 ZINC000376505350 563443688 /nfs/dbraw/zinc/44/36/88/563443688.db2.gz GLLUIICSVWEYRP-XUJVJEKNSA-N 1 0 379.302 2.775 20 0 GFADRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)NCCCCn1cc(Br)cn1 ZINC000376523162 563445510 /nfs/dbraw/zinc/44/55/10/563445510.db2.gz RFHYLJCOKMNVFY-GDBMZVCRSA-N 1 0 398.349 2.694 20 0 GFADRO C[NH+](C)C1(CNC(=O)N[C@H]2CCN(c3cccc(Br)c3)C2)CCC1 ZINC000426235710 563446871 /nfs/dbraw/zinc/44/68/71/563446871.db2.gz DXXGKUPZVMHFAB-HNNXBMFYSA-N 1 0 395.345 2.811 20 0 GFADRO O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000326729150 563455827 /nfs/dbraw/zinc/45/58/27/563455827.db2.gz DQUPPXPKHULRTG-WFASDCNBSA-N 1 0 378.416 2.738 20 0 GFADRO C[NH+](C)CCCCCCCNC(=O)C(=O)Nc1nc(C(F)(F)F)cs1 ZINC000283929968 563459077 /nfs/dbraw/zinc/45/90/77/563459077.db2.gz AXANJHIEMREZJD-UHFFFAOYSA-N 1 0 380.436 2.729 20 0 GFADRO COc1cccc([C@@H](CNS(=O)(=O)CCC(F)(F)F)[NH+]2CCCC2)c1 ZINC000284071094 563463048 /nfs/dbraw/zinc/46/30/48/563463048.db2.gz ZCFDKAKYJRXWNE-OAHLLOKOSA-N 1 0 380.432 2.704 20 0 GFADRO CC[N@H+](CCOc1ccc(Br)cc1)C[C@H]1CCCS(=O)(=O)C1 ZINC000284143304 563465357 /nfs/dbraw/zinc/46/53/57/563465357.db2.gz OXXXSHMKTPUSJM-CQSZACIVSA-N 1 0 390.343 2.975 20 0 GFADRO COCc1nc(C(=O)N[C@@H]2CC[N@H+](Cc3cnc(C)s3)C[C@@H]2C)cs1 ZINC000377233488 563468188 /nfs/dbraw/zinc/46/81/88/563468188.db2.gz SZBHNKDIFRGNNE-SMDDNHRTSA-N 1 0 380.539 2.695 20 0 GFADRO Cc1nc(C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)nn1-c1c(Cl)cccc1Cl ZINC000328953084 563469168 /nfs/dbraw/zinc/46/91/68/563469168.db2.gz XXIGZWOJHSZKMG-NSHDSACASA-N 1 0 380.279 2.849 20 0 GFADRO Cc1cc(C(=O)N[C@H]2C[NH2+]CC[C@H]2C)nn1-c1ccc(Br)cc1 ZINC000427563746 563469582 /nfs/dbraw/zinc/46/95/82/563469582.db2.gz GVXSMLNVVLAEFR-BZNIZROVSA-N 1 0 377.286 2.671 20 0 GFADRO O=C(NCCC[NH+]1CCCC1)[C@H]1CCCN(c2ccc(Br)cn2)C1 ZINC000377304543 563470193 /nfs/dbraw/zinc/47/01/93/563470193.db2.gz AVOKGMBEGVMJKQ-HNNXBMFYSA-N 1 0 395.345 2.663 20 0 GFADRO C[NH+](C)C[C@@H]1CCCN1C(=O)c1ccc(I)c(F)c1 ZINC000427735395 563473066 /nfs/dbraw/zinc/47/30/66/563473066.db2.gz QSFXFPAAPUIWTI-NSHDSACASA-N 1 0 376.213 2.597 20 0 GFADRO COC(=O)[C@H]1CC12CC[NH+](Cc1nc3ccccn3c1Br)CC2 ZINC000377396881 563473631 /nfs/dbraw/zinc/47/36/31/563473631.db2.gz DKSIXVXXMFIKGZ-GFCCVEGCSA-N 1 0 378.270 2.872 20 0 GFADRO COc1ncc([C@@H](C)[NH2+]CCS(=O)(=O)NCc2ccccc2)cc1Cl ZINC000284493960 563477237 /nfs/dbraw/zinc/47/72/37/563477237.db2.gz VJLKLOSDQWXQDI-CYBMUJFWSA-N 1 0 383.901 2.514 20 0 GFADRO Brc1c(CN2CCC[N@@H+](C3CCOCC3)CC2)nc2ccccn12 ZINC000377539878 563478690 /nfs/dbraw/zinc/47/86/90/563478690.db2.gz GTECSSLYKYGKHR-UHFFFAOYSA-N 1 0 393.329 2.784 20 0 GFADRO O=S(=O)(c1cc(Br)sc1Cl)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000427951106 563479022 /nfs/dbraw/zinc/47/90/22/563479022.db2.gz OCQOLRZETYROIR-JGVFFNPUSA-N 1 0 385.736 2.537 20 0 GFADRO CCOC(=O)c1cc2cc(S(=O)(=O)N[C@H](C)CCCC[NH3+])ccc2s1 ZINC000427940238 563479193 /nfs/dbraw/zinc/47/91/93/563479193.db2.gz CTDCNFRQBDSBFG-GFCCVEGCSA-N 1 0 384.523 2.874 20 0 GFADRO C[N@H+](Cc1cccc(Br)c1)C1CCN(CC(=O)N2CCCC2)CC1 ZINC000377574772 563479351 /nfs/dbraw/zinc/47/93/51/563479351.db2.gz IDWMFZAVTXGJBK-UHFFFAOYSA-N 1 0 394.357 2.968 20 0 GFADRO CC(C)N1CC[C@H](NS(=O)(=O)N2CCCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000329439157 563479667 /nfs/dbraw/zinc/47/96/67/563479667.db2.gz JWIGOQIBYAGUIL-DLBZAZTESA-N 1 0 389.924 2.933 20 0 GFADRO Cn1cc(Br)cc1C(=O)NC[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000377650598 563481484 /nfs/dbraw/zinc/48/14/84/563481484.db2.gz YNCYAQFRHYRRHG-HNNXBMFYSA-N 1 0 391.313 2.825 20 0 GFADRO C[C@@H]1C[C@H](C)CN(S(=O)(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)C1 ZINC000329618641 563483495 /nfs/dbraw/zinc/48/34/95/563483495.db2.gz LZMVCAPBJLUHBW-DFGXFYAUSA-N 1 0 385.599 2.943 20 0 GFADRO O=C1NC[C@@H]2C[N@H+](Cc3coc(-c4ccc(Br)cc4)n3)CC[C@@H]12 ZINC000377733245 563484697 /nfs/dbraw/zinc/48/46/97/563484697.db2.gz UMPIRQAHPHJQTL-IUODEOHRSA-N 1 0 376.254 2.672 20 0 GFADRO C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1NC(=O)Cc1cccc(Br)c1 ZINC000377738182 563485215 /nfs/dbraw/zinc/48/52/15/563485215.db2.gz GSXAATAGJHNNKT-FHLIZLRMSA-N 1 0 395.341 2.997 20 0 GFADRO CCS(=O)(=O)c1ccc([C@@H](C)[NH2+]CC(=O)NCc2sccc2C)cc1 ZINC000284824538 563490849 /nfs/dbraw/zinc/49/08/49/563490849.db2.gz RFRJHXTWEIPXCW-CQSZACIVSA-N 1 0 380.535 2.817 20 0 GFADRO CCS(=O)(=O)c1ccc([C@H](C)[NH2+][C@@H](C)C(=O)NCc2cccs2)cc1 ZINC000284852943 563491909 /nfs/dbraw/zinc/49/19/09/563491909.db2.gz UDLOWTWNYAFFBB-KBPBESRZSA-N 1 0 380.535 2.897 20 0 GFADRO CN1C(=O)N[C@]2(CCC[C@H]2C[NH2+]Cc2csc(-c3cccs3)n2)C1=O ZINC000377976140 563492745 /nfs/dbraw/zinc/49/27/45/563492745.db2.gz HPRDVBMRNGWRNF-GTNSWQLSSA-N 1 0 376.507 2.682 20 0 GFADRO C[C@@H]1C[C@@H](N(C)C(=O)C(=O)NCCc2c(Cl)cccc2Cl)CC[N@@H+]1C ZINC000284901330 563493794 /nfs/dbraw/zinc/49/37/94/563493794.db2.gz HOHZCJLIBDGCER-OLZOCXBDSA-N 1 0 386.323 2.593 20 0 GFADRO C[C@H](NC(=O)C1CC[NH+](C)CC1)c1ccc(Br)cc1OCCCO ZINC000428576506 563495315 /nfs/dbraw/zinc/49/53/15/563495315.db2.gz AAFYTJVQNNHXFK-ZDUSSCGKSA-N 1 0 399.329 2.729 20 0 GFADRO C[C@H](NC(=O)c1ccc(Br)cc1)C(=O)NCC1([NH3+])CCCCCC1 ZINC000428562601 563495658 /nfs/dbraw/zinc/49/56/58/563495658.db2.gz GIBIZEJGRRVBLW-ZDUSSCGKSA-N 1 0 396.329 2.735 20 0 GFADRO COc1ccc(Br)cc1CC(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000378234865 563499834 /nfs/dbraw/zinc/49/98/34/563499834.db2.gz MRSNYIVCMJRCFW-BBRMVZONSA-N 1 0 381.314 2.991 20 0 GFADRO C[C@@H]([NH2+][C@H]1CCN(c2ccccc2C(N)=O)C1)c1ncc(Br)s1 ZINC000378271276 563500616 /nfs/dbraw/zinc/50/06/16/563500616.db2.gz MHZPOXLWXPGWLH-MNOVXSKESA-N 1 0 395.326 2.934 20 0 GFADRO Cc1cccc(C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)c1Br ZINC000378276698 563501426 /nfs/dbraw/zinc/50/14/26/563501426.db2.gz ZYEIZNJMWWKHJA-AWEZNQCLSA-N 1 0 380.330 2.656 20 0 GFADRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2S(=O)(=O)c2csc(-c3ccccc3)n2)C1 ZINC000330329218 563501457 /nfs/dbraw/zinc/50/14/57/563501457.db2.gz WLUAHPUMNPAMDT-JKSUJKDBSA-N 1 0 377.535 2.915 20 0 GFADRO C[C@H]([NH2+][C@@H](CO)c1ccc(Br)cc1)C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000428798283 563502169 /nfs/dbraw/zinc/50/21/69/563502169.db2.gz GQMDXZIIOVKAKO-LOUJCGABSA-N 1 0 383.330 2.965 20 0 GFADRO C[N@H+](CC/C=C/c1ccc(Br)cc1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000428790157 563502359 /nfs/dbraw/zinc/50/23/59/563502359.db2.gz QHMMAJSYBQWPIT-WMHVBEDNSA-N 1 0 387.343 2.818 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCC[C@H]1C)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000330393464 563503574 /nfs/dbraw/zinc/50/35/74/563503574.db2.gz CCJBLYVHEXMHEO-TYNCELHUSA-N 1 0 387.933 2.696 20 0 GFADRO Cc1nc(C)c(S(=O)(=O)N(C)CC2CCN(c3cc[nH+]cc3)CC2)s1 ZINC000378359291 563503607 /nfs/dbraw/zinc/50/36/07/563503607.db2.gz GYPXQOJKYPGSCM-UHFFFAOYSA-N 1 0 380.539 2.692 20 0 GFADRO C[C@@H](c1ccccc1)[C@H]([NH2+]Cc1cc2c(c(Br)c1)OCO2)C(N)=O ZINC000428857395 563503642 /nfs/dbraw/zinc/50/36/42/563503642.db2.gz RHUPSUJGPOVDQV-ZBEGNZNMSA-N 1 0 391.265 2.925 20 0 GFADRO C[C@H]([NH2+][C@H]1CCC[C@@H]1C)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000330393462 563503634 /nfs/dbraw/zinc/50/36/34/563503634.db2.gz CCJBLYVHEXMHEO-HUBLWGQQSA-N 1 0 387.933 2.696 20 0 GFADRO C[C@H](NC(=O)c1[nH]nc(-c2ccccc2)c1Br)[C@@H]1CCC[NH2+]C1 ZINC000428958091 563504869 /nfs/dbraw/zinc/50/48/69/563504869.db2.gz UIZIGISFSGTKEB-WCQYABFASA-N 1 0 377.286 2.957 20 0 GFADRO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(Cc2c(F)cccc2Br)CC1 ZINC000378386865 563505124 /nfs/dbraw/zinc/50/51/24/563505124.db2.gz WPLFICUGQQKLIL-INIZCTEOSA-N 1 0 384.293 2.502 20 0 GFADRO CC(C)N1CCCN(C(=O)CCCS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000285163425 563506000 /nfs/dbraw/zinc/50/60/00/563506000.db2.gz AQPKSDNSRKWPFF-UHFFFAOYSA-N 1 0 386.945 2.837 20 0 GFADRO CN(C(=O)NCCCn1ccnc1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000285161899 563506498 /nfs/dbraw/zinc/50/64/98/563506498.db2.gz SPHIXBZTWBLINI-HOTGVXAUSA-N 1 0 383.279 2.880 20 0 GFADRO CC[NH+]1CCN(C[C@@H](C)CNS(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000330486759 563508198 /nfs/dbraw/zinc/50/81/98/563508198.db2.gz FRTFJXCUJXFRAW-ZDUSSCGKSA-N 1 0 394.368 2.545 20 0 GFADRO O=C(CC[N@@H+]1CCC[C@H]1C(=O)N1CCSCC1)Nc1ccc(Cl)cc1 ZINC000429054705 563509523 /nfs/dbraw/zinc/50/95/23/563509523.db2.gz QFWBEBFJVDGYMV-INIZCTEOSA-N 1 0 381.929 2.708 20 0 GFADRO Cc1cc(Br)c(F)cc1NC(=O)N1CC[N@@H+](C[C@H](C)O)C[C@H]1C ZINC000285265814 563511790 /nfs/dbraw/zinc/51/17/90/563511790.db2.gz SGDHEHLVOGAFDC-NEPJUHHUSA-N 1 0 388.281 2.815 20 0 GFADRO Cc1cc(Br)c(F)cc1NC(=O)N1CC[N@@H+](C[C@H](C)O)C[C@@H]1C ZINC000285265824 563512129 /nfs/dbraw/zinc/51/21/29/563512129.db2.gz SGDHEHLVOGAFDC-RYUDHWBXSA-N 1 0 388.281 2.815 20 0 GFADRO CCNC(=O)NC(=O)[C@H](C)[NH2+]C(C)(C)Cc1ccc(Br)c(C)c1 ZINC000429236464 563512749 /nfs/dbraw/zinc/51/27/49/563512749.db2.gz IMAGSWWVKZNMPC-LBPRGKRZSA-N 1 0 384.318 2.902 20 0 GFADRO C[C@](C[NH3+])(NC(=O)c1cc(I)ccc1Cl)C1CC1 ZINC000429232382 563512671 /nfs/dbraw/zinc/51/26/71/563512671.db2.gz KBXPQEPEIYKDOD-CYBMUJFWSA-N 1 0 378.641 2.802 20 0 GFADRO CCOC(=O)CN(C)C(=O)C[NH2+][C@@H]1c2cc(Br)ccc2CC1(C)C ZINC000429299571 563514000 /nfs/dbraw/zinc/51/40/00/563514000.db2.gz ZNIDNXGKRAJEIG-QGZVFWFLSA-N 1 0 397.313 2.684 20 0 GFADRO C[C@@H]1CN(S(=O)(=O)c2c(Cl)cccc2Br)C[C@@]1(C)C[NH3+] ZINC000380250279 563514276 /nfs/dbraw/zinc/51/42/76/563514276.db2.gz NVPHTAAMGZQUFF-NOZJJQNGSA-N 1 0 381.723 2.708 20 0 GFADRO CC(C)c1n[nH]c(C(=O)NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1Br ZINC000330653350 563515887 /nfs/dbraw/zinc/51/58/87/563515887.db2.gz MGJAZUWHRCBICC-TXEJJXNPSA-N 1 0 387.322 2.525 20 0 GFADRO C[NH2+]C[C@@H]1CCN(C(=O)c2cc(I)ccc2Cl)C1 ZINC000429444473 563517071 /nfs/dbraw/zinc/51/70/71/563517071.db2.gz GVBLPOSAEDYBSQ-VIFPVBQESA-N 1 0 378.641 2.626 20 0 GFADRO Ic1ccc(C[NH2+][C@@H]2CCCN(c3ncccn3)C2)cc1 ZINC000385069682 563518065 /nfs/dbraw/zinc/51/80/65/563518065.db2.gz CWLKWVRNXNEUKG-OAHLLOKOSA-N 1 0 394.260 2.840 20 0 GFADRO O=C(C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCCC2)Nc1ccc(Br)cn1 ZINC000429707387 563521442 /nfs/dbraw/zinc/52/14/42/563521442.db2.gz GODSUUGBCVRDKE-WQVCFCJDSA-N 1 0 380.286 2.720 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)N1CCC[C@H]([NH+](C)C)CC1 ZINC000429875822 563527226 /nfs/dbraw/zinc/52/72/26/563527226.db2.gz GUARQTYFPGKFIT-HNNXBMFYSA-N 1 0 396.329 2.947 20 0 GFADRO C[N@H+]1CC=C(CNC(=O)c2ccc(I)c(Cl)c2)CC1 ZINC000392837134 563527825 /nfs/dbraw/zinc/52/78/25/563527825.db2.gz NBICEOHOFAEKDK-UHFFFAOYSA-N 1 0 390.652 2.936 20 0 GFADRO CC[N@@H+]1CCCN(C(=O)C(=O)Nc2c(C)cc(C)cc2Br)CC1 ZINC000429894554 563528257 /nfs/dbraw/zinc/52/82/57/563528257.db2.gz XXKLVKSYFURCBF-UHFFFAOYSA-N 1 0 382.302 2.559 20 0 GFADRO CN1CCO[C@@H]2CCN(C(=O)Nc3ccc(Cl)c(OC(F)F)c3)C[C@H]21 ZINC000285633221 563530001 /nfs/dbraw/zinc/53/00/01/563530001.db2.gz ZZCRPGSNGBGCDC-CHWSQXEVSA-N 1 0 375.803 2.878 20 0 GFADRO C[C@H](C[N@H+](C)[C@H]1CCN(S(C)(=O)=O)C1)c1cccc(Br)c1 ZINC000430105831 563533272 /nfs/dbraw/zinc/53/32/72/563533272.db2.gz OLXOAYJIFSHVQB-DOMZBBRYSA-N 1 0 375.332 2.518 20 0 GFADRO CC1(C)NC(=O)N(CCC[NH2+][C@@H](CCO)c2ccc(Cl)c(Cl)c2)C1=O ZINC000285706807 563533467 /nfs/dbraw/zinc/53/34/67/563533467.db2.gz WEDYSGABOBQDQN-AWEZNQCLSA-N 1 0 388.295 2.727 20 0 GFADRO CS(=O)(=O)N1CCC[C@@H]([NH2+]C2CC(c3cccc(Br)c3)C2)C1 ZINC000400273214 563534474 /nfs/dbraw/zinc/53/44/74/563534474.db2.gz YUBPOOXPPIKXMK-OGVSOVDVSA-N 1 0 387.343 2.709 20 0 GFADRO CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@H](CO)Cc1cccc(Br)c1 ZINC000430153400 563536668 /nfs/dbraw/zinc/53/66/68/563536668.db2.gz VLBXTQHMEKJZGQ-UKRRQHHQSA-N 1 0 385.346 2.883 20 0 GFADRO COCC[N@H+](C)CCCNC(=O)N[C@@H]1C[C@H]1c1ccccc1Br ZINC000430173434 563538030 /nfs/dbraw/zinc/53/80/30/563538030.db2.gz FONAQVLNNDOTPO-GOEBONIOSA-N 1 0 384.318 2.573 20 0 GFADRO C[C@H](Cc1ccc(Br)cc1)[NH2+][C@H]1CCCC[C@@H]1NS(C)(=O)=O ZINC000331185907 563539109 /nfs/dbraw/zinc/53/91/09/563539109.db2.gz UNOKVYNYHBHPCD-KCXAZCMYSA-N 1 0 389.359 2.830 20 0 GFADRO CC1CC[NH+](C[C@@H](O)CNC(=O)c2cc(Br)c(F)cc2F)CC1 ZINC000430307355 563541221 /nfs/dbraw/zinc/54/12/21/563541221.db2.gz QTWQJOLFTOQBEI-NSHDSACASA-N 1 0 391.256 2.550 20 0 GFADRO C[C@H](O)C[N@@H+]1CCN(C(=O)Nc2cc3c(cc2Br)CCC3)[C@@H](C)C1 ZINC000408049336 563542614 /nfs/dbraw/zinc/54/26/14/563542614.db2.gz YDJJSHROWKXHQA-STQMWFEESA-N 1 0 396.329 2.857 20 0 GFADRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)c1cc(Br)c2c(c1)OCCO2 ZINC000408044129 563542797 /nfs/dbraw/zinc/54/27/97/563542797.db2.gz SRCRNDHDZYNXMN-UONOGXRCSA-N 1 0 381.270 2.577 20 0 GFADRO C[C@H](C(=O)Nc1cccc(Br)c1)N1C[C@H](N2CCOCC2)C[C@H]1C ZINC000285973525 563543905 /nfs/dbraw/zinc/54/39/05/563543905.db2.gz NRRIZYOPYPIFJZ-CKEIUWERSA-N 1 0 396.329 2.571 20 0 GFADRO CCC[NH+]1CCC(NS(=O)(=O)c2cc(OC)c(OC)cc2Cl)CC1 ZINC000331299848 563544104 /nfs/dbraw/zinc/54/41/04/563544104.db2.gz BLDCNIWIMRVKCM-UHFFFAOYSA-N 1 0 376.906 2.510 20 0 GFADRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)c1cnccc1C(F)(F)F ZINC000331292960 563544144 /nfs/dbraw/zinc/54/41/44/563544144.db2.gz XJRPDTAKAMLCQD-XQQFMLRXSA-N 1 0 379.448 2.745 20 0 GFADRO CNS(=O)(=O)CCC[N@@H+]1CCC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000331290046 563544162 /nfs/dbraw/zinc/54/41/62/563544162.db2.gz JWXZLDPTGFOZJZ-ZDUSSCGKSA-N 1 0 381.325 2.776 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCCN([C@@H](C)C(=O)N(C)Cc2ccc(Br)cc2)C1 ZINC000430559953 563545061 /nfs/dbraw/zinc/54/50/61/563545061.db2.gz UVAKNZFLNZNAGW-OFQRWUPVSA-N 1 0 382.346 2.855 20 0 GFADRO C[C@H]1CCCN(Cc2csc(-c3ccc(S(C)(=O)=O)cc3)n2)[C@@H]1C[NH3+] ZINC000430591399 563546010 /nfs/dbraw/zinc/54/60/10/563546010.db2.gz AVTJVXHYABDJSS-SUMWQHHRSA-N 1 0 379.551 2.773 20 0 GFADRO C[NH2+]C[C@@H]1CCCN(CC(=O)Nc2c(F)cc(F)cc2Br)C1 ZINC000430642774 563546664 /nfs/dbraw/zinc/54/66/64/563546664.db2.gz KWCGULLFBNMUGB-JTQLQIEISA-N 1 0 376.245 2.597 20 0 GFADRO O[C@H](CCc1ccccc1)C[NH2+]Cc1ncc(I)s1 ZINC000286074603 563547540 /nfs/dbraw/zinc/54/75/40/563547540.db2.gz SBEAIAQPBHZZAP-GFCCVEGCSA-N 1 0 388.274 2.831 20 0 GFADRO C[NH2+]CC1CCN(Cc2csc(-c3ccc(S(C)(=O)=O)cc3)n2)CC1 ZINC000430933182 563550119 /nfs/dbraw/zinc/55/01/19/563550119.db2.gz HKYKHPWVKGOPBT-UHFFFAOYSA-N 1 0 379.551 2.645 20 0 GFADRO COC(=O)c1sccc1S(=O)(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000331552485 563552815 /nfs/dbraw/zinc/55/28/15/563552815.db2.gz PMKXIQRGGFWODP-CQSZACIVSA-N 1 0 386.539 2.610 20 0 GFADRO Cc1cc(Br)cc(C)c1N1CCC[C@H](NC(=O)N2CC[C@H]([NH3+])C2)C1 ZINC000331609390 563555109 /nfs/dbraw/zinc/55/51/09/563555109.db2.gz MYTFONDOMDOWHU-HOTGVXAUSA-N 1 0 395.345 2.777 20 0 GFADRO OC[C@@H]1C[N@H+](C[C@H](O)COCc2ccccc2Cl)CC[C@H]1C(F)(F)F ZINC000286299601 563556028 /nfs/dbraw/zinc/55/60/28/563556028.db2.gz CKWVJPMSUPBUPP-SOUVJXGZSA-N 1 0 381.822 2.710 20 0 GFADRO CCCN(C)[C@H](CNC(=O)C[C@@H]1CCS(=O)(=O)C1)c1ccc(Cl)cc1 ZINC000286350132 563556980 /nfs/dbraw/zinc/55/69/80/563556980.db2.gz MKTIYGRFMVILBV-WMLDXEAASA-N 1 0 386.945 2.664 20 0 GFADRO C[NH+](C)CCOC1CCN(C(=O)c2cc(Br)cc3nc[nH]c32)CC1 ZINC000331808783 563562490 /nfs/dbraw/zinc/56/24/90/563562490.db2.gz LYGFRSXKSRCABW-UHFFFAOYSA-N 1 0 395.301 2.508 20 0 GFADRO O=S(=O)(CCC1CCOCC1)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000431541793 563562565 /nfs/dbraw/zinc/56/25/65/563562565.db2.gz AYSUVBAKESTHOG-QGZVFWFLSA-N 1 0 386.583 2.696 20 0 GFADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)C(C)(C)c1ccccc1Br ZINC000409642311 563567369 /nfs/dbraw/zinc/56/73/69/563567369.db2.gz UCUOILYVMIQEMH-AWEZNQCLSA-N 1 0 383.330 2.954 20 0 GFADRO COc1ccc(NC(=O)C[NH2+][C@@](C)(CO)c2ccc(Br)cc2)cc1 ZINC000286661946 563569044 /nfs/dbraw/zinc/56/90/44/563569044.db2.gz UPXBQKQWTCLHTK-SFHVURJKSA-N 1 0 393.281 2.894 20 0 GFADRO C[C@@H]1[C@H](NC(=O)N[C@H]2COc3cc(F)c(Br)cc32)CCC[N@@H+]1C ZINC000409750084 563569821 /nfs/dbraw/zinc/56/98/21/563569821.db2.gz JNBGMIVKFFYULB-FZQKWOKYSA-N 1 0 386.265 2.804 20 0 GFADRO C[C@H](NC(=O)c1ccc(Br)cc1)C(=O)N1CCC[C@H]([NH+](C)C)CC1 ZINC000331994978 563570726 /nfs/dbraw/zinc/57/07/26/563570726.db2.gz NATUUYSPJLTPSS-BBRMVZONSA-N 1 0 396.329 2.510 20 0 GFADRO CC1CC[NH+](CC(=O)NCc2cc(Br)c3c(c2)OCCO3)CC1 ZINC000332033077 563572849 /nfs/dbraw/zinc/57/28/49/563572849.db2.gz OONQUCIZUZRLRP-UHFFFAOYSA-N 1 0 383.286 2.568 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000332069155 563574331 /nfs/dbraw/zinc/57/43/31/563574331.db2.gz UANZALAEGNFVRS-DZGCQCFKSA-N 1 0 394.313 2.557 20 0 GFADRO Cc1cc(NC(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)ccc1Br ZINC000332109415 563576891 /nfs/dbraw/zinc/57/68/91/563576891.db2.gz GPYYSMUKGQZFNY-OAHLLOKOSA-N 1 0 394.313 2.783 20 0 GFADRO C[C@H]1[NH2+]CCC[C@@H]1C(=O)N1CCN(C(=O)c2cccc(Cl)c2Cl)CC1 ZINC000332134023 563578449 /nfs/dbraw/zinc/57/84/49/563578449.db2.gz PIBQYXULBKIRCZ-OLZOCXBDSA-N 1 0 384.307 2.666 20 0 GFADRO CC[C@H]1CN(Cc2nc3ccc(Br)cc3o2)CC[N@@H+]1C[C@H](C)O ZINC000332165529 563580336 /nfs/dbraw/zinc/58/03/36/563580336.db2.gz BAKIINNIXVHIKY-JSGCOSHPSA-N 1 0 382.302 2.867 20 0 GFADRO C[C@@H]1C[N@H+](CCCNS(=O)(=O)c2cc(Cl)cc(Cl)c2)CCCO1 ZINC000432326684 563581324 /nfs/dbraw/zinc/58/13/24/563581324.db2.gz CNBVAZMOJXOUGF-GFCCVEGCSA-N 1 0 381.325 2.773 20 0 GFADRO CCCC[N@H+](C)CCNS(=O)(=O)Cc1cc(OC)ccc1Br ZINC000410130217 563582190 /nfs/dbraw/zinc/58/21/90/563582190.db2.gz LDHJOUOBTHXHLS-UHFFFAOYSA-N 1 0 393.347 2.609 20 0 GFADRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1CC(=O)N(C)Cc1ccccc1Br ZINC000287039281 563584902 /nfs/dbraw/zinc/58/49/02/563584902.db2.gz SUADKTCMTRICTQ-YJBOKZPZSA-N 1 0 394.357 2.966 20 0 GFADRO CS(=O)(=O)N[C@H]1CCCC[C@@H]1[NH2+]Cc1cn2cc(Cl)cc(Cl)c2n1 ZINC000332254089 563587298 /nfs/dbraw/zinc/58/72/98/563587298.db2.gz UREGGJRCFZWVHM-KBPBESRZSA-N 1 0 391.324 2.591 20 0 GFADRO C[C@H]([NH3+])C1CCN(C(=O)N[C@@H]2COc3cc(F)c(Br)cc32)CC1 ZINC000332261783 563588258 /nfs/dbraw/zinc/58/82/58/563588258.db2.gz NVXIEDORXBOZEV-LKFCYVNXSA-N 1 0 386.265 2.791 20 0 GFADRO C[C@H]1CN(C(=O)NC2CCN(Cc3cc(Cl)cc(Cl)c3)CC2)C[C@H]1[NH3+] ZINC000332267003 563588830 /nfs/dbraw/zinc/58/88/30/563588830.db2.gz HYYXKKRFCZTCRL-YVEFUNNKSA-N 1 0 385.339 2.946 20 0 GFADRO CC[N@H+](CCNS(=O)(=O)Cc1cc(OC)ccc1Br)C(C)C ZINC000410401922 563589680 /nfs/dbraw/zinc/58/96/80/563589680.db2.gz QSKAAPBFENBOMK-UHFFFAOYSA-N 1 0 393.347 2.607 20 0 GFADRO CCC[N@H+](C)[C@H](CNC(=O)NCC1([S@@](C)=O)CC1)c1ccc(Cl)cc1 ZINC000287249876 563593457 /nfs/dbraw/zinc/59/34/57/563593457.db2.gz QVFDAUSRWMZUAT-PUAOIOHZSA-N 1 0 385.961 2.933 20 0 GFADRO C[C@@H]1CCN(C(=O)N[C@H]2CCOc3ccc(Br)cc32)C[C@@H]1C[NH3+] ZINC000332356802 563594991 /nfs/dbraw/zinc/59/49/91/563594991.db2.gz OASXPWMGACENNJ-XUJVJEKNSA-N 1 0 382.302 2.899 20 0 GFADRO Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+]C[C@@H](O)COCC(F)(F)F ZINC000432857410 563595593 /nfs/dbraw/zinc/59/55/93/563595593.db2.gz DSWUIJUIUUSFQW-GZMMTYOYSA-N 1 0 377.329 2.653 20 0 GFADRO CNC(=O)c1cccc(NC(=O)NCC[N@H+](C)C2CCCC2)c1Br ZINC000287297727 563595633 /nfs/dbraw/zinc/59/56/33/563595633.db2.gz FZYHQQSMMLQNGN-UHFFFAOYSA-N 1 0 397.317 2.805 20 0 GFADRO C[C@H]1C[C@H](N(C)C(=O)C(=O)N(C)Cc2cc(Cl)cc(Cl)c2)CC[N@@H+]1C ZINC000410733558 563596133 /nfs/dbraw/zinc/59/61/33/563596133.db2.gz POFGCPWVHZALMR-BLLLJJGKSA-N 1 0 386.323 2.893 20 0 GFADRO CC[NH+]1CCC(NC(=O)c2cc(=O)[nH]c3c(Br)cccc23)CC1 ZINC000332390798 563597016 /nfs/dbraw/zinc/59/70/16/563597016.db2.gz VMKAQMFPWIZLBK-UHFFFAOYSA-N 1 0 378.270 2.917 20 0 GFADRO C[NH+](C)C(C)(C)CNC(=O)C(=O)Nc1cc(F)c(Br)c(Cl)c1 ZINC000287356714 563598260 /nfs/dbraw/zinc/59/82/60/563598260.db2.gz HCRBUHOQOLGRFK-UHFFFAOYSA-N 1 0 394.672 2.637 20 0 GFADRO C[C@@H](CN1CC[NH+](C)CC1)Nc1ccc(Br)c(C(F)(F)F)n1 ZINC000287381178 563599201 /nfs/dbraw/zinc/59/92/01/563599201.db2.gz OOPMUQBBRNCXSO-JTQLQIEISA-N 1 0 381.240 2.911 20 0 GFADRO Nc1c(Br)cc(Br)cc1C[NH2+][C@H](CO)CC(F)F ZINC000433009859 563600859 /nfs/dbraw/zinc/60/08/59/563600859.db2.gz AACDMGIXOQXZPJ-QMMMGPOBSA-N 1 0 388.050 2.900 20 0 GFADRO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C(=O)N1CC[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000410975421 563601504 /nfs/dbraw/zinc/60/15/04/563601504.db2.gz JNXHRLYUCUNFJU-CJNGLKHVSA-N 1 0 384.307 2.504 20 0 GFADRO CNC(=O)c1cccc(NC(=O)NC2CC[NH+](C(C)C)CC2)c1Br ZINC000287453820 563602639 /nfs/dbraw/zinc/60/26/39/563602639.db2.gz QCGDTTSMWQHGNY-UHFFFAOYSA-N 1 0 397.317 2.803 20 0 GFADRO Cc1c([C@H](C)[NH2+]CC(C)(C)OCCO)nnn1-c1cccc(Br)c1 ZINC000287459591 563602675 /nfs/dbraw/zinc/60/26/75/563602675.db2.gz VQUFZCLTTMDPCK-LBPRGKRZSA-N 1 0 397.317 2.776 20 0 GFADRO CC(C)[C@@H](C[NH3+])C(=O)N1CCC(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000433113253 563603290 /nfs/dbraw/zinc/60/32/90/563603290.db2.gz BWYCGQUUBAVLSW-MRXNPFEDSA-N 1 0 396.329 2.857 20 0 GFADRO O=C(Nc1ccc(I)cc1)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000332578134 563605106 /nfs/dbraw/zinc/60/51/06/563605106.db2.gz ZHDMBGYTVAPBPF-COPLHBTASA-N 1 0 385.249 2.801 20 0 GFADRO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)Nc1ccc(Br)c(F)c1 ZINC000332613348 563607037 /nfs/dbraw/zinc/60/70/37/563607037.db2.gz RQHKHFJCRZJHHW-STQMWFEESA-N 1 0 398.276 2.612 20 0 GFADRO C[C@@H]1CCCCN1C(=O)C[NH2+]C(C)(C)COc1ncccc1Br ZINC000332605407 563607389 /nfs/dbraw/zinc/60/73/89/563607389.db2.gz JDYKDVMIRVBFRC-CYBMUJFWSA-N 1 0 384.318 2.992 20 0 GFADRO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)Nc1ccc(F)c(Br)c1 ZINC000332626647 563607997 /nfs/dbraw/zinc/60/79/97/563607997.db2.gz VOUJBLXPRZOPRH-OLZOCXBDSA-N 1 0 398.276 2.612 20 0 GFADRO O=C(C[N@H+]1CC[C@H](Cc2ccc(Br)cc2)C1)NC1CCOCC1 ZINC000433302301 563609114 /nfs/dbraw/zinc/60/91/14/563609114.db2.gz IQGIUDVKFHYCOI-OAHLLOKOSA-N 1 0 381.314 2.609 20 0 GFADRO COCCCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](Cc2ccc(Br)cc2)C1 ZINC000433317156 563609140 /nfs/dbraw/zinc/60/91/40/563609140.db2.gz KLAZSTFUEMYGOY-HOCLYGCPSA-N 1 0 383.330 2.855 20 0 GFADRO Cc1ccc(F)c(Br)c1NC(=O)C(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000332656666 563610329 /nfs/dbraw/zinc/61/03/29/563610329.db2.gz ZQQDGZSBNOKPBD-NEPJUHHUSA-N 1 0 398.276 2.530 20 0 GFADRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)C(C)(C)S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000287637530 563611229 /nfs/dbraw/zinc/61/12/29/563611229.db2.gz GBQLGZMNAVWZPI-CABCVRRESA-N 1 0 386.945 2.881 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)[C@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)CC[N@@H+]1C ZINC000332685489 563611771 /nfs/dbraw/zinc/61/17/71/563611771.db2.gz TYAUMZDGHNOMMU-KWCYVHTRSA-N 1 0 384.307 2.945 20 0 GFADRO O=C(c1ncn([C@H]2CCC[NH2+]C2)n1)N1CCc2cc(Cl)cc(Cl)c2C1 ZINC000433400624 563612441 /nfs/dbraw/zinc/61/24/41/563612441.db2.gz OIIVIBLZUCPWMP-ZDUSSCGKSA-N 1 0 380.279 2.708 20 0 GFADRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)NCCc1nc(C(F)(F)F)cs1 ZINC000287819815 563619277 /nfs/dbraw/zinc/61/92/77/563619277.db2.gz CHOVJJAAVCYFRU-NEPJUHHUSA-N 1 0 376.448 2.973 20 0 GFADRO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]C[C@H](O)Cc2cccc(Cl)c2)cc1 ZINC000287885154 563621284 /nfs/dbraw/zinc/62/12/84/563621284.db2.gz SZJYEKCSSJYFBU-CXAGYDPISA-N 1 0 382.913 2.502 20 0 GFADRO COc1cc(C)c(S(=O)(=O)N2C[C@H](SC)[C@@H]([NH+](C)C)C2)cc1C(C)C ZINC000433874492 563621961 /nfs/dbraw/zinc/62/19/61/563621961.db2.gz WPKQZBBRJSJLNQ-RDJZCZTQSA-N 1 0 386.583 2.793 20 0 GFADRO Cc1cc(Br)ccc1CN(C)C(=O)N[C@@H](C)CN1CC[NH+](C)CC1 ZINC000433897979 563623179 /nfs/dbraw/zinc/62/31/79/563623179.db2.gz QOYPKCPYTZZSCP-HNNXBMFYSA-N 1 0 397.361 2.535 20 0 GFADRO O=C(Nc1ccc(F)c(Br)c1)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000333189800 563623458 /nfs/dbraw/zinc/62/34/58/563623458.db2.gz URUFYCGFBUATHO-UHFFFAOYSA-N 1 0 399.308 2.926 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]1C1CCN(C(=O)Nc2cc(F)ccc2Br)CC1 ZINC000333202480 563624210 /nfs/dbraw/zinc/62/42/10/563624210.db2.gz YHENPVVRPDNNET-HIFRSBDPSA-N 1 0 386.265 2.948 20 0 GFADRO [NH3+][C@@H]1CCO[C@@H](C2CCN(C(=O)Cc3ccccc3Br)CC2)C1 ZINC000333231599 563624867 /nfs/dbraw/zinc/62/48/67/563624867.db2.gz CECBLDKUPFALTM-NVXWUHKLSA-N 1 0 381.314 2.737 20 0 GFADRO COc1cc(OC)c(NC(=O)N2CCC3(CC[NH2+]3)CC2)cc1Br ZINC000333223681 563624889 /nfs/dbraw/zinc/62/48/89/563624889.db2.gz ANPHONOVWIJKIM-UHFFFAOYSA-N 1 0 384.274 2.826 20 0 GFADRO [NH3+][C@@H]1CCO[C@@H](C2CCN(C(=O)Cc3ccc(Br)c(F)c3)CC2)C1 ZINC000333254418 563626211 /nfs/dbraw/zinc/62/62/11/563626211.db2.gz HOPBTXGATDMVNV-RHSMWYFYSA-N 1 0 399.304 2.876 20 0 GFADRO CN(C)c1cc(NC(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)ncc1Br ZINC000333278854 563626865 /nfs/dbraw/zinc/62/68/65/563626865.db2.gz HFMLWBGGFXAEBT-ZDUSSCGKSA-N 1 0 396.333 2.764 20 0 GFADRO [NH3+][C@H]1CCO[C@H](C2CCN(C(=O)c3ccc(F)cc3Br)CC2)C1 ZINC000333326116 563628165 /nfs/dbraw/zinc/62/81/65/563628165.db2.gz VJDCXHHBFOQCMQ-BBRMVZONSA-N 1 0 385.277 2.947 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)C(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000411668666 563628149 /nfs/dbraw/zinc/62/81/49/563628149.db2.gz IVHNOXAASJYCKM-ZDUSSCGKSA-N 1 0 382.302 2.544 20 0 GFADRO [NH3+][C@H]1CCO[C@@H](C2CCN(C(=O)Cc3ccc(Br)s3)CC2)C1 ZINC000333345362 563628631 /nfs/dbraw/zinc/62/86/31/563628631.db2.gz ZDKDSEWAPVGAQD-GXTWGEPZSA-N 1 0 387.343 2.798 20 0 GFADRO COc1c(Cl)cc(NC(=O)C(=O)NCC[C@H]2CCC[N@H+](C)C2)cc1Cl ZINC000411671874 563629046 /nfs/dbraw/zinc/62/90/46/563629046.db2.gz MHVKJUFPADNEHC-LLVKDONJSA-N 1 0 388.295 2.789 20 0 GFADRO O=C(N[C@H]1COc2cc(F)c(Br)cc21)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000333590251 563636615 /nfs/dbraw/zinc/63/66/15/563636615.db2.gz AZAVXHPELVNWDJ-CZFOOCMKSA-N 1 0 398.276 2.709 20 0 GFADRO CC[N@H+](C)C[C@H]1CCN(C(=O)C(C)(C)S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000288298549 563636954 /nfs/dbraw/zinc/63/69/54/563636954.db2.gz YGMFPJASDJKCHL-CQSZACIVSA-N 1 0 386.945 2.693 20 0 GFADRO [NH3+][C@H]1CCCO[C@H]1C1CCN(S(=O)(=O)c2cc(Cl)sc2Cl)CC1 ZINC000333633644 563637205 /nfs/dbraw/zinc/63/72/05/563637205.db2.gz HBHZAFVMCSBUJX-GWCFXTLKSA-N 1 0 399.365 2.962 20 0 GFADRO O=S1(=O)CCCN1C1CC[NH+](CCn2ccc3cc(Cl)ccc32)CC1 ZINC000411833271 563637220 /nfs/dbraw/zinc/63/72/20/563637220.db2.gz IBDMEAWCBAWWIC-UHFFFAOYSA-N 1 0 381.929 2.795 20 0 GFADRO O=C1N[C@@H](Cc2c[nH]cn2)C(=O)N1CCc1cc(Cl)ccc1Br ZINC000288361809 563639518 /nfs/dbraw/zinc/63/95/18/563639518.db2.gz OEYPAXUDOAGQGQ-ZDUSSCGKSA-N 1 0 397.660 2.531 20 0 GFADRO C[NH+](C)CCOC1CCN(C(=O)NCc2cc(F)c(Cl)cc2F)CC1 ZINC000434865876 563640088 /nfs/dbraw/zinc/64/00/88/563640088.db2.gz ADIDSYWHNMJTQW-UHFFFAOYSA-N 1 0 375.847 2.870 20 0 GFADRO O[C@@H](COc1ccc(Br)cc1)C[NH+]1CCC(c2c[nH]cn2)CC1 ZINC000434997703 563641238 /nfs/dbraw/zinc/64/12/38/563641238.db2.gz WNOFWIGOMNDJQE-OAHLLOKOSA-N 1 0 380.286 2.792 20 0 GFADRO Cc1c(Br)ccc(NC(=O)C(=O)NCC[N@H+]2CC=C(C)CC2)c1F ZINC000435097930 563642362 /nfs/dbraw/zinc/64/23/62/563642362.db2.gz VWBZZOLXJZPCND-UHFFFAOYSA-N 1 0 398.276 2.603 20 0 GFADRO O=C(C[NH2+][C@H](CO)[C@H]1CCCOC1)Nc1cc(Cl)c(Cl)cc1Cl ZINC000411993205 563643100 /nfs/dbraw/zinc/64/31/00/563643100.db2.gz LGJULUBVYMDUNQ-LKFCYVNXSA-N 1 0 381.687 2.962 20 0 GFADRO OC[C@H]([NH2+]Cc1ccc(I)cc1Cl)[C@H]1CCCOC1 ZINC000411981584 563643469 /nfs/dbraw/zinc/64/34/69/563643469.db2.gz BJUOGNIBIQLKGE-FZMZJTMJSA-N 1 0 395.668 2.822 20 0 GFADRO O=C(N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)N[C@H]1CCCC[NH2+]C1 ZINC000333853831 563643756 /nfs/dbraw/zinc/64/37/56/563643756.db2.gz XVLAOPVXMOMKLB-XHDPSFHLSA-N 1 0 385.295 2.540 20 0 GFADRO COC(=O)[C@H]1CSCC[N@H+](CCc2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000412072207 563646712 /nfs/dbraw/zinc/64/67/12/563646712.db2.gz JTFHTNYHCHIHSU-CYBMUJFWSA-N 1 0 381.885 2.771 20 0 GFADRO C[C@]1(CNC(=O)N[C@H]2CCOc3ccc(Br)cc32)CCC[NH2+]C1 ZINC000333943884 563646769 /nfs/dbraw/zinc/64/67/69/563646769.db2.gz RLPSWSKYNPPZSQ-YOEHRIQHSA-N 1 0 382.302 2.962 20 0 GFADRO COC(=O)[C@@H]1CSCC[N@H+](CCc2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000412072210 563646999 /nfs/dbraw/zinc/64/69/99/563646999.db2.gz JTFHTNYHCHIHSU-ZDUSSCGKSA-N 1 0 381.885 2.771 20 0 GFADRO CO[C@@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)NC1CC[NH+](C)CC1 ZINC000334003848 563649801 /nfs/dbraw/zinc/64/98/01/563649801.db2.gz KAJNVXCNAFRXRC-MLGOLLRUSA-N 1 0 384.318 2.919 20 0 GFADRO CC(C)C[C@@H](CNC(=O)[C@@H]1CC(=O)Nc2ccc(Br)cc21)[NH+](C)C ZINC000435508454 563652830 /nfs/dbraw/zinc/65/28/30/563652830.db2.gz VKMZGDRBRFZPLT-DZGCQCFKSA-N 1 0 396.329 2.967 20 0 GFADRO C[C@@H](O)C[N@@H+]1CCN(C(=O)N[C@H](C)c2ccc(Br)cc2)C[C@@H]1C ZINC000334103524 563652914 /nfs/dbraw/zinc/65/29/14/563652914.db2.gz NAAWJSXPBCVQOA-BFHYXJOUSA-N 1 0 384.318 2.607 20 0 GFADRO CCN(CCS(=O)(=O)c1cccc(Br)c1)[C@H]1CCC[NH2+]CC1 ZINC000435618471 563654798 /nfs/dbraw/zinc/65/47/98/563654798.db2.gz YVEATICWDZBXOY-HNNXBMFYSA-N 1 0 389.359 2.687 20 0 GFADRO CN(CCn1cc(Br)cn1)C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000288756427 563655840 /nfs/dbraw/zinc/65/58/40/563655840.db2.gz YQGJSVBXIJQTEU-UHFFFAOYSA-N 1 0 394.317 2.549 20 0 GFADRO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)Nc1cc(N(C)C)c(Br)cn1 ZINC000412393847 563656455 /nfs/dbraw/zinc/65/64/55/563656455.db2.gz ILIGXYJPFBRQQO-MRXNPFEDSA-N 1 0 399.333 2.642 20 0 GFADRO Cc1c(-c2nc(-c3ccc(Br)o3)no2)nnn1C1CC[NH2+]CC1 ZINC000435725058 563657107 /nfs/dbraw/zinc/65/71/07/563657107.db2.gz YUVZZWNGVQSJAV-UHFFFAOYSA-N 1 0 379.218 2.584 20 0 GFADRO CN(C(=O)[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)[C@@H]1CCC[NH2+]CC1 ZINC000435753371 563657428 /nfs/dbraw/zinc/65/74/28/563657428.db2.gz QYMBSGYNXSUWIH-TZMCWYRMSA-N 1 0 384.307 2.947 20 0 GFADRO CSC1(CN2C(=O)N[C@@H](c3ccc(Cl)c(F)c3)C2=O)CC[NH+](C)CC1 ZINC000348983851 563658710 /nfs/dbraw/zinc/65/87/10/563658710.db2.gz INHAQFRYDTXJAS-AWEZNQCLSA-N 1 0 385.892 2.899 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000435906664 563660362 /nfs/dbraw/zinc/66/03/62/563660362.db2.gz HBUNGOWAZJTGFD-FZKQIMNGSA-N 1 0 394.313 2.592 20 0 GFADRO COc1ccc(Cc2noc([C@H]3CC[N@H+](C)C3)n2)c(Br)c1OC ZINC000350024616 563667026 /nfs/dbraw/zinc/66/70/26/563667026.db2.gz PHFXUWYAPGKCAC-NSHDSACASA-N 1 0 382.258 2.859 20 0 GFADRO C[C@@H](O)c1ncc(C[NH2+]C[C@H](O)COc2ccc(C(F)(F)F)cc2)s1 ZINC000289203526 563671833 /nfs/dbraw/zinc/67/18/33/563671833.db2.gz HVXQUOQGHBJJQW-PWSUYJOCSA-N 1 0 376.400 2.745 20 0 GFADRO O=C(Nc1cnc2c(Br)cccn12)NC1CC[NH+](C2CC2)CC1 ZINC000436499928 563672893 /nfs/dbraw/zinc/67/28/93/563672893.db2.gz TXJSLTYMRKCOGD-UHFFFAOYSA-N 1 0 378.274 2.845 20 0 GFADRO C[C@]1(C[C@H]2CCC[N@@H+]2Cc2csc(-c3cccs3)n2)NC(=O)NC1=O ZINC000289575495 563679321 /nfs/dbraw/zinc/67/93/21/563679321.db2.gz JRMANFGYALIYKL-SJKOYZFVSA-N 1 0 376.507 2.824 20 0 GFADRO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]C[C@@]2(C)OCCc3sccc32)cc1 ZINC000289664294 563682126 /nfs/dbraw/zinc/68/21/26/563682126.db2.gz GWNRLTMHLADQNF-FZKQIMNGSA-N 1 0 380.535 2.795 20 0 GFADRO C[NH+](C)CCN1CCC(Nc2nccc3cc(Br)ccc32)CC1 ZINC000413096045 563682234 /nfs/dbraw/zinc/68/22/34/563682234.db2.gz QHYVTDTVGFRIIT-UHFFFAOYSA-N 1 0 377.330 3.435 20 0 GFADRO CN1CCO[C@@H](c2nc(Cc3c[nH]c4cccc(Br)c34)no2)C1 ZINC000351274564 563685096 /nfs/dbraw/zinc/68/50/96/563685096.db2.gz LYLNNRSFIGNBFR-CYBMUJFWSA-N 1 0 377.242 2.907 20 0 GFADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)NCc1cc(C)ccc1Br ZINC000413256778 563687024 /nfs/dbraw/zinc/68/70/24/563687024.db2.gz BWJIWKNSGRNFRZ-OAHLLOKOSA-N 1 0 384.318 2.668 20 0 GFADRO COCC[N@@H+]1CC[C@@H](NC(=O)NCc2cccc(Br)c2Cl)C1 ZINC000413299114 563688041 /nfs/dbraw/zinc/68/80/41/563688041.db2.gz LMAGZRPWDWEKOJ-GFCCVEGCSA-N 1 0 390.709 2.622 20 0 GFADRO COC(=O)[C@H]1CN(C(=O)N[C@@H](C)c2cccc(Cl)c2Cl)CC[N@H+](C)C1 ZINC000413285985 563688257 /nfs/dbraw/zinc/68/82/57/563688257.db2.gz YMAWGBIXJSWQFX-NWDGAFQWSA-N 1 0 388.295 2.801 20 0 GFADRO COCC[N@@H+]1CC[C@H](NC(=O)NCc2cc(Cl)cc(Br)c2)C1 ZINC000413291298 563688264 /nfs/dbraw/zinc/68/82/64/563688264.db2.gz BRJCSVGJFOPUQV-AWEZNQCLSA-N 1 0 390.709 2.622 20 0 GFADRO C[C@H]([NH2+]C[C@@H](O)COc1ccc2c(c1)OCO2)c1ccc(Br)nc1 ZINC000289946984 563692212 /nfs/dbraw/zinc/69/22/12/563692212.db2.gz WKTXLSNBSGBIKK-WCQYABFASA-N 1 0 395.253 2.663 20 0 GFADRO O=C(NCc1sccc1Br)NC[C@@H]1CN2CCCC[C@H]2CO1 ZINC000360735718 563694290 /nfs/dbraw/zinc/69/42/90/563694290.db2.gz DQTCOTGNBOHKQR-NWDGAFQWSA-N 1 0 388.331 2.563 20 0 GFADRO O=C(NCc1sccc1Br)NC[C@@H]1CN2CCCC[C@@H]2CO1 ZINC000360735720 563694354 /nfs/dbraw/zinc/69/43/54/563694354.db2.gz DQTCOTGNBOHKQR-VXGBXAGGSA-N 1 0 388.331 2.563 20 0 GFADRO CN(CC[NH2+]C1CCN(Cc2cccs2)CC1)S(=O)(=O)c1cccs1 ZINC000360810516 563695275 /nfs/dbraw/zinc/69/52/75/563695275.db2.gz LJADIDZQUIYTMA-UHFFFAOYSA-N 1 0 399.607 2.684 20 0 GFADRO COc1cc(Br)c(C[NH2+][C@H]2CCN(c3cnn(C)c3)C2)cc1OC ZINC000361011099 563695882 /nfs/dbraw/zinc/69/58/82/563695882.db2.gz HPCKMTJUQJXWNO-ZDUSSCGKSA-N 1 0 395.301 2.568 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2C(=O)c1ccc(F)c(Br)c1 ZINC000437742682 563698983 /nfs/dbraw/zinc/69/89/83/563698983.db2.gz GJVOETCNPMMZMA-DAXOMENPSA-N 1 0 385.277 2.912 20 0 GFADRO O=C(c1cc(-c2ccc(Br)cc2)n[nH]1)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000290216272 563701460 /nfs/dbraw/zinc/70/14/60/563701460.db2.gz SPTUCZJANIMMNB-QWHCGFSZSA-N 1 0 375.270 2.521 20 0 GFADRO CCC[NH+]1CCN(C(=O)C2CCN(C(=O)c3ccc(Cl)s3)CC2)CC1 ZINC000361784903 563701555 /nfs/dbraw/zinc/70/15/55/563701555.db2.gz ZWGMLAOCPBNVHO-UHFFFAOYSA-N 1 0 383.945 2.808 20 0 GFADRO O=C(c1n[nH]c2ccc(Br)cc21)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000290242094 563702691 /nfs/dbraw/zinc/70/26/91/563702691.db2.gz VNSJDDPBAMQVOP-GFCCVEGCSA-N 1 0 377.286 2.787 20 0 GFADRO Cc1ccc(Br)c(CNC(=O)N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)c1 ZINC000413739656 563704029 /nfs/dbraw/zinc/70/40/29/563704029.db2.gz KXSWHGOEJBOGCG-AWEZNQCLSA-N 1 0 398.345 2.744 20 0 GFADRO Cc1ccc(Br)c(CNC(=O)N2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)c1 ZINC000413743476 563704050 /nfs/dbraw/zinc/70/40/50/563704050.db2.gz OYIUVLUWVLNFEB-AWEZNQCLSA-N 1 0 398.345 2.744 20 0 GFADRO C[NH+](C)CCNC(=O)c1cccc(CNCc2ccnc(Cl)c2Cl)c1 ZINC000290324082 563705201 /nfs/dbraw/zinc/70/52/01/563705201.db2.gz ADQROISWKWMPSU-UHFFFAOYSA-N 1 0 381.307 2.970 20 0 GFADRO O=C(N[C@@H](CO)C[NH+]1CCCCC1)c1cc2c(Br)cccc2cn1 ZINC000413796315 563705889 /nfs/dbraw/zinc/70/58/89/563705889.db2.gz GOMHNAFTWHCKJS-CQSZACIVSA-N 1 0 392.297 2.574 20 0 GFADRO C[NH+](C)C1(CNC(=O)c2ccn(-c3cccc(Br)c3)n2)CCC1 ZINC000438535862 563706658 /nfs/dbraw/zinc/70/66/58/563706658.db2.gz NDWKADPRKOMRFD-UHFFFAOYSA-N 1 0 377.286 2.849 20 0 GFADRO CCCCC(=O)N1CSC[C@H]1C(=O)N(CC[NH+](C)C)Cc1cccs1 ZINC000438539339 563707369 /nfs/dbraw/zinc/70/73/69/563707369.db2.gz HRKGNAUTLXLVAS-INIZCTEOSA-N 1 0 383.583 2.730 20 0 GFADRO C[NH+](C)CCn1ccc(NC(=O)N[C@@H]2CCc3c2ccc(Cl)c3Cl)n1 ZINC000438703851 563709465 /nfs/dbraw/zinc/70/94/65/563709465.db2.gz AWEACNNMZZEXSO-CQSZACIVSA-N 1 0 382.295 3.561 20 0 GFADRO C[C@@H]1CN(C[C@@H](O)C[NH2+]C2(c3ccc(Br)cc3)CCC2)C[C@H](C)O1 ZINC000438721198 563709506 /nfs/dbraw/zinc/70/95/06/563709506.db2.gz DEFACDYKZKYNON-DAYGRLMNSA-N 1 0 397.357 2.888 20 0 GFADRO C[NH+](C)CCN1CCCN(C(=O)[C@@H]2C[C@@H]2c2ccc(Br)cc2)CC1 ZINC000362833854 563709582 /nfs/dbraw/zinc/70/95/82/563709582.db2.gz HOBIGUXKXFEWNU-QZTJIDSGSA-N 1 0 394.357 2.649 20 0 GFADRO O=C1CNC(=O)N1CC[NH+]1CCC(c2nc3cc(Cl)ccc3s2)CC1 ZINC000363147393 563715607 /nfs/dbraw/zinc/71/56/07/563715607.db2.gz SZOYYYUXQXSFGD-UHFFFAOYSA-N 1 0 378.885 2.681 20 0 GFADRO C[C@H](C[C@@H](O)c1cccs1)[NH2+][C@H]1CCCc2ccc(S(N)(=O)=O)cc21 ZINC000290630621 563716325 /nfs/dbraw/zinc/71/63/25/563716325.db2.gz IYJOSPFKQNTIHL-OAUYIBNBSA-N 1 0 380.535 2.875 20 0 GFADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)NC1(c2cccc(Br)c2)CC1 ZINC000363181287 563716672 /nfs/dbraw/zinc/71/66/72/563716672.db2.gz VULIVBBOUGGKIH-HZPDHXFCSA-N 1 0 394.313 2.601 20 0 GFADRO CC(=O)Nc1cccc(C[NH2+][C@@H](C)Cn2cc(Br)ccc2=O)c1 ZINC000414065716 563717087 /nfs/dbraw/zinc/71/70/87/563717087.db2.gz OVZLOWGWSQPWGY-LBPRGKRZSA-N 1 0 378.270 2.748 20 0 GFADRO CC[C@@H]([NH2+]CC1CN(S(=O)(=O)CC)C1)c1ccccc1Br ZINC000439133838 563717478 /nfs/dbraw/zinc/71/74/78/563717478.db2.gz TZZGYCQZZLQDIN-OAHLLOKOSA-N 1 0 375.332 2.771 20 0 GFADRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)Nc1ccc(F)cc1I ZINC000415254457 563764400 /nfs/dbraw/zinc/76/44/00/563764400.db2.gz SIOMZUSPHDDZSP-LDYMZIIASA-N 1 0 377.201 2.550 20 0 GFADRO C[C@H]([NH2+]CCCNS(=O)(=O)c1ccccc1Br)[C@@H]1C[C@H]1C ZINC000414138360 563720188 /nfs/dbraw/zinc/72/01/88/563720188.db2.gz GRVQUHNQZJRJJN-FRRDWIJNSA-N 1 0 375.332 2.752 20 0 GFADRO CC(C)O[C@H]1C[C@@H]([NH2+][C@@H](C)c2ccc(Br)c(S(N)(=O)=O)c2)C1 ZINC000414152754 563720922 /nfs/dbraw/zinc/72/09/22/563720922.db2.gz XZJGKBIPJQVJBS-WCFLWFBJSA-N 1 0 391.331 2.703 20 0 GFADRO C[C@H]([NH2+]C[C@H](O)Cn1ccnn1)c1ccc(Br)cc1C(F)(F)F ZINC000414184721 563721704 /nfs/dbraw/zinc/72/17/04/563721704.db2.gz OFBDFQKPWKYYFA-ONGXEEELSA-N 1 0 393.207 2.771 20 0 GFADRO C[NH+](C)CC(C)(C)CN(C(=O)c1cnccn1)c1ccc(Br)cn1 ZINC000439304148 563722336 /nfs/dbraw/zinc/72/23/36/563722336.db2.gz YHTGRZGPOSEARL-UHFFFAOYSA-N 1 0 392.301 2.869 20 0 GFADRO C[N@H+](C[C@H](O)COc1cc(F)cc(Br)c1)C[C@@H]1CCCCO1 ZINC000439433727 563724977 /nfs/dbraw/zinc/72/49/77/563724977.db2.gz CFDLUJNDSKSFDD-GJZGRUSLSA-N 1 0 376.266 2.829 20 0 GFADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NCc1ccc(S(C)(=O)=O)s1 ZINC000414298269 563725451 /nfs/dbraw/zinc/72/54/51/563725451.db2.gz SQDQXBAGZJTVSJ-UHFFFAOYSA-N 1 0 379.551 2.824 20 0 GFADRO C[N@@H+]1CCC[C@H](CNC(=O)CSc2cccc[n+]2[O-])[C@@H]1c1cccs1 ZINC000363559785 563725941 /nfs/dbraw/zinc/72/59/41/563725941.db2.gz HKMIGXDUTUUHNE-RDTXWAMCSA-N 1 0 377.535 2.673 20 0 GFADRO CC[C@H]1C[N@H+](C[C@H](O)COc2cc(F)cc(Br)c2)CCCO1 ZINC000439484165 563727377 /nfs/dbraw/zinc/72/73/77/563727377.db2.gz OECDBHDYFSAJCV-GJZGRUSLSA-N 1 0 376.266 2.829 20 0 GFADRO COc1ccc(C[C@@H](CO)CNC(=[NH2+])N2CCC(C)CC2)cc1Br ZINC000414363731 563729704 /nfs/dbraw/zinc/72/97/04/563729704.db2.gz WRQIAHYTHVJVIW-OAHLLOKOSA-N 1 0 398.345 2.865 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+]C2CCC(F)(F)CC2)cc1Br ZINC000414369211 563729785 /nfs/dbraw/zinc/72/97/85/563729785.db2.gz UGLCIVNCANGHME-UHFFFAOYSA-N 1 0 383.258 2.764 20 0 GFADRO CCc1cnccc1[C@@H](C)[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000414371414 563730218 /nfs/dbraw/zinc/73/02/18/563730218.db2.gz YEMSDTGQGQDKBN-LLVKDONJSA-N 1 0 398.326 2.905 20 0 GFADRO COC(=O)CC1([NH2+]Cc2cccc(Cl)c2Cl)CCS(=O)(=O)CC1 ZINC000439767957 563731239 /nfs/dbraw/zinc/73/12/39/563731239.db2.gz PTSAJBDGXJCLGR-UHFFFAOYSA-N 1 0 380.293 2.594 20 0 GFADRO C[N@@H+]1CCCN(C(=O)c2ccccc2NC(=O)c2nc(Cl)cs2)CC1 ZINC000363751043 563732397 /nfs/dbraw/zinc/73/23/97/563732397.db2.gz LLTCZRZFNYLDBR-UHFFFAOYSA-N 1 0 378.885 2.827 20 0 GFADRO COc1nc(C)c(Br)cc1C(=O)N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000363780843 563733107 /nfs/dbraw/zinc/73/31/07/563733107.db2.gz PFPRPUIXSQPRCD-NOLJZWGESA-N 1 0 394.313 2.717 20 0 GFADRO C[C@H]1CCC[N@H+](CCCCNC(=O)c2nc3ccc(Br)cn3n2)C1 ZINC000414417505 563735339 /nfs/dbraw/zinc/73/53/39/563735339.db2.gz YALKGDHFQUDANZ-ZDUSSCGKSA-N 1 0 394.317 2.734 20 0 GFADRO CC(C)[N@@H+]1CCC[C@@H](NS(=O)(=O)N(C)Cc2c(F)cccc2Cl)C1 ZINC000440087740 563736233 /nfs/dbraw/zinc/73/62/33/563736233.db2.gz KRALNNQPSPWDEY-CYBMUJFWSA-N 1 0 377.913 2.618 20 0 GFADRO Cc1nn(C)c(CN[C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)c1Br ZINC000363944602 563737932 /nfs/dbraw/zinc/73/79/32/563737932.db2.gz HZCOSBCUSBHAOJ-CZUORRHYSA-N 1 0 392.345 2.886 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)C(=O)N(C)CCC[NH+]1CCCC1 ZINC000440266889 563738559 /nfs/dbraw/zinc/73/85/59/563738559.db2.gz KOSJUZBZQAKNCM-UHFFFAOYSA-N 1 0 396.329 2.894 20 0 GFADRO C[NH2+][C@@H]1CCN(S(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 ZINC000440339845 563739262 /nfs/dbraw/zinc/73/92/62/563739262.db2.gz MVHWLYHPCSZADT-SNVBAGLBSA-N 1 0 376.322 2.707 20 0 GFADRO Cc1c(S(=O)(=O)N2CCCC[C@H]2[C@@H](C)[NH3+])cnn1-c1ccc(Cl)cc1 ZINC000440355853 563740258 /nfs/dbraw/zinc/74/02/58/563740258.db2.gz NPOVKADXINNWRU-WBMJQRKESA-N 1 0 382.917 2.725 20 0 GFADRO CC(C)c1ccc([C@@H]([NH3+])CNS(=O)(=O)c2ccc(Br)cn2)cc1 ZINC000440353693 563740287 /nfs/dbraw/zinc/74/02/87/563740287.db2.gz IYVDNMFZVSGGJO-HNNXBMFYSA-N 1 0 398.326 2.946 20 0 GFADRO COc1nc(N[C@@H]2CC[N@H+](C[C@H]3CCCO3)C[C@@H]2C)ncc1Br ZINC000364042288 563740763 /nfs/dbraw/zinc/74/07/63/563740763.db2.gz PAQNLSIBIVEYJZ-OUCADQQQSA-N 1 0 385.306 2.549 20 0 GFADRO Cc1c(S(=O)(=O)N2CCC[C@@H]([C@H](C)[NH3+])C2)cnn1-c1ccc(Cl)cc1 ZINC000440442780 563742184 /nfs/dbraw/zinc/74/21/84/563742184.db2.gz PXRWSILAZRLBDH-GXTWGEPZSA-N 1 0 382.917 2.582 20 0 GFADRO COC(=O)c1ccc(C[NH2+]CCC(C)(C)S(C)(=O)=O)c(Br)c1 ZINC000414513794 563745752 /nfs/dbraw/zinc/74/57/52/563745752.db2.gz GVKAMZGXAKCRSG-UHFFFAOYSA-N 1 0 392.315 2.539 20 0 GFADRO Cc1nc(CN2C[C@@H](F)C[C@H]2C[NH2+]Cc2cc(C(F)(F)F)n[nH]2)cs1 ZINC000440621790 563746207 /nfs/dbraw/zinc/74/62/07/563746207.db2.gz RPOPTUDJZHVJDP-GWCFXTLKSA-N 1 0 377.411 2.896 20 0 GFADRO OC[C@H]1C[N@H+](Cc2cnc(-c3ccc(Br)cc3)s2)CC[C@@H]1O ZINC000414562792 563747027 /nfs/dbraw/zinc/74/70/27/563747027.db2.gz VLMLACFWXABEIA-DOMZBBRYSA-N 1 0 383.311 2.748 20 0 GFADRO C[NH2+][C@H]1CCN(S(=O)(=O)c2cc(Br)c(Cl)cc2Cl)C1 ZINC000440737754 563748804 /nfs/dbraw/zinc/74/88/04/563748804.db2.gz MFZAXCHNJWEKIH-ZETCQYMHSA-N 1 0 388.114 2.738 20 0 GFADRO COCCCOc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000440735204 563748925 /nfs/dbraw/zinc/74/89/25/563748925.db2.gz NJZVHGJJHBWTHS-KGLIPLIRSA-N 1 0 390.933 2.503 20 0 GFADRO C[C@H](NS(=O)(=O)c1cccc(Cl)c1Br)[C@H]1CCC[NH2+]C1 ZINC000440740444 563748983 /nfs/dbraw/zinc/74/89/83/563748983.db2.gz ZLWOGWQXSWONKR-UWVGGRQHSA-N 1 0 381.723 2.769 20 0 GFADRO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)NCC1([NH3+])CCCCC1 ZINC000440743491 563749544 /nfs/dbraw/zinc/74/95/44/563749544.db2.gz YEMKHZRKKXUAJK-ZDUSSCGKSA-N 1 0 390.933 2.694 20 0 GFADRO C[C@H]1CN(S(=O)(=O)c2cc(Cl)c(Br)cc2F)[C@@H](C)C[NH2+]1 ZINC000440760048 563749797 /nfs/dbraw/zinc/74/97/97/563749797.db2.gz NGYKHEQBFMZYCX-YUMQZZPRSA-N 1 0 385.686 2.613 20 0 GFADRO O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000414696281 563749940 /nfs/dbraw/zinc/74/99/40/563749940.db2.gz PDBZEBUXEPZRGL-LBPRGKRZSA-N 1 0 376.810 2.870 20 0 GFADRO C[NH2+]Cc1ccccc1NC(=O)C(=O)NCCc1ccc(Br)s1 ZINC000414679182 563750000 /nfs/dbraw/zinc/75/00/00/563750000.db2.gz LJBVTTKOZWRCNX-UHFFFAOYSA-N 1 0 396.310 2.527 20 0 GFADRO C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)Nc1cccc(I)c1 ZINC000414688637 563750037 /nfs/dbraw/zinc/75/00/37/563750037.db2.gz DKKLSOLJDFOJAI-CABZTGNLSA-N 1 0 389.237 2.526 20 0 GFADRO [NH3+]C[C@H]1CCCC[C@H]1NC(=O)Nc1nnc(SCc2ccccc2)s1 ZINC000414707618 563750761 /nfs/dbraw/zinc/75/07/61/563750761.db2.gz MVYXMXYBZBJSJW-ZIAGYGMSSA-N 1 0 377.539 3.469 20 0 GFADRO [NH3+][C@@H]1CCC[C@H](NS(=O)(=O)c2cc(Cl)c(Br)cc2F)C1 ZINC000440857156 563752317 /nfs/dbraw/zinc/75/23/17/563752317.db2.gz IIGILPVWSNEGAG-SFYZADRCSA-N 1 0 385.686 2.790 20 0 GFADRO C[C@@H]1Cc2cc(S(=O)(=O)N3CCC([C@H]4CCC[NH2+]4)CC3)cc(Cl)c2O1 ZINC000440848767 563752510 /nfs/dbraw/zinc/75/25/10/563752510.db2.gz WGEFDMJRBSGKKS-SJKOYZFVSA-N 1 0 384.929 2.816 20 0 GFADRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)c1nc(C2CC2)ncc1Br ZINC000291677601 563753553 /nfs/dbraw/zinc/75/35/53/563753553.db2.gz DEUNXIUAPPUJPE-NSHDSACASA-N 1 0 381.318 2.919 20 0 GFADRO C[C@@H](CCCC[NH3+])NC(=O)Nc1cc(Br)ccc1N1CCOCC1 ZINC000414920908 563754363 /nfs/dbraw/zinc/75/43/63/563754363.db2.gz AOGIQLHXVFZPEZ-ZDUSSCGKSA-N 1 0 399.333 2.925 20 0 GFADRO Cc1cc(Br)ccc1C(=O)N1CCC([NH2+][C@@H]2CNCC[C@H]2C)CC1 ZINC000414928632 563754425 /nfs/dbraw/zinc/75/44/25/563754425.db2.gz NALRRBWBVTZVTL-FZKQIMNGSA-N 1 0 394.357 2.950 20 0 GFADRO O=C(CC[C@H]1CCC[NH2+]1)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000291716590 563754978 /nfs/dbraw/zinc/75/49/78/563754978.db2.gz GXHNOCPXXPDPTR-CQSZACIVSA-N 1 0 384.307 2.810 20 0 GFADRO C[C@@H](COc1ccc2cc(Br)ccc2c1)[NH2+]C[C@H]1CNCCN1C ZINC000414968866 563755237 /nfs/dbraw/zinc/75/52/37/563755237.db2.gz DGKLYPFGRIZAHH-KBXCAEBGSA-N 1 0 392.341 2.863 20 0 GFADRO CN1CC[NH2+]C[C@H]1CNCc1cnc(-c2ccc(Br)cc2)s1 ZINC000414969725 563755348 /nfs/dbraw/zinc/75/53/48/563755348.db2.gz TXBRLJIOEOEFNR-AWEZNQCLSA-N 1 0 381.343 2.566 20 0 GFADRO COc1cc(Br)c(NC(=O)NCC2(C)CC[NH2+]CC2)cc1OC ZINC000414989905 563756175 /nfs/dbraw/zinc/75/61/75/563756175.db2.gz HVGUNVMJPJLJHW-UHFFFAOYSA-N 1 0 386.290 2.978 20 0 GFADRO CCOCCOc1c(Cl)cccc1NC(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000415050970 563757614 /nfs/dbraw/zinc/75/76/14/563757614.db2.gz FFDJYJIAKBVXLA-ZDUSSCGKSA-N 1 0 377.819 2.874 20 0 GFADRO COc1ccc(I)c(NC(=O)N[C@H](C[NH3+])CC(C)C)c1 ZINC000415067682 563757714 /nfs/dbraw/zinc/75/77/14/563757714.db2.gz CRYZSUQJGAQWAO-JTQLQIEISA-N 1 0 391.253 2.795 20 0 GFADRO CN(CC[C@@H]1CCCC[N@@H+]1C)C[C@H](O)COc1ccc(Br)cc1 ZINC000441348558 563758022 /nfs/dbraw/zinc/75/80/22/563758022.db2.gz CNBBOUKKHOFVAH-IRXDYDNUSA-N 1 0 385.346 2.995 20 0 GFADRO COCC1(CNC(=O)Nc2cc(OC)ccc2Br)CC[NH2+]CC1 ZINC000415086843 563758547 /nfs/dbraw/zinc/75/85/47/563758547.db2.gz VDJLEKYXGSHPAB-UHFFFAOYSA-N 1 0 386.290 2.595 20 0 GFADRO CC(C)c1nn(-c2ccc(Br)cc2)cc1CNC[C@H]1C[NH2+]CCO1 ZINC000415099106 563758597 /nfs/dbraw/zinc/75/85/97/563758597.db2.gz XSPBTPGAKZJUFI-QGZVFWFLSA-N 1 0 393.329 2.836 20 0 GFADRO Cc1c(Br)cccc1NC(=O)N1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000415098567 563758994 /nfs/dbraw/zinc/75/89/94/563758994.db2.gz VZXGZAYEQJQLQP-CYBMUJFWSA-N 1 0 382.302 2.977 20 0 GFADRO O=C(Nc1cc(Cl)ccc1N1CCSCC1)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000415125684 563760120 /nfs/dbraw/zinc/76/01/20/563760120.db2.gz SPHKGZCXMLBKLF-KBPBESRZSA-N 1 0 380.945 2.966 20 0 GFADRO C[C@H](C[NH2+]CCNS(=O)(=O)c1ccc(Cl)cc1F)CC1CCOCC1 ZINC000441386884 563760176 /nfs/dbraw/zinc/76/01/76/563760176.db2.gz XIIYJGZSXWNMBL-ZDUSSCGKSA-N 1 0 392.924 2.800 20 0 GFADRO Cc1ccc(Br)c(S(=O)(=O)N2CCCC3(CC[NH2+]CC3)C2)c1 ZINC000364665152 563761130 /nfs/dbraw/zinc/76/11/30/563761130.db2.gz QYOPZEHWIZJEMB-UHFFFAOYSA-N 1 0 387.343 2.912 20 0 GFADRO COc1ccc(NC(=O)N2C[C@H](C[NH3+])C3(C2)CCOCC3)cc1Br ZINC000415170484 563761718 /nfs/dbraw/zinc/76/17/18/563761718.db2.gz LWAHTXXADYXWBN-LBPRGKRZSA-N 1 0 398.301 2.677 20 0 GFADRO Cc1nn(C)c(N2CCC[N@H+](C)CC2)c1CNC(=O)c1ccc(Cl)s1 ZINC000364737755 563762599 /nfs/dbraw/zinc/76/25/99/563762599.db2.gz RJXJHLADIWDMLF-UHFFFAOYSA-N 1 0 381.933 2.515 20 0 GFADRO O=S(=O)(CC[N@@H+]1CC[C@H]([C@@H]2CCOC2)C1)c1ccc(Br)cc1 ZINC000441668527 563763827 /nfs/dbraw/zinc/76/38/27/563763827.db2.gz OPKUJXLQUVFTIL-UONOGXRCSA-N 1 0 388.327 2.581 20 0 GFADRO Cn1cc(NC(=O)N(CCC[NH3+])CC2CCCC2)cc(Br)c1=O ZINC000415270136 563764644 /nfs/dbraw/zinc/76/46/44/563764644.db2.gz NRZOEQVUVZSKTJ-UHFFFAOYSA-N 1 0 385.306 2.521 20 0 GFADRO [NH3+][C@@H]1CCN(C(=O)Nc2ccc(Cl)c(C(=O)NCc3cccs3)c2)C1 ZINC000415261896 563764853 /nfs/dbraw/zinc/76/48/53/563764853.db2.gz ZGCQXBRRCKZRAC-LLVKDONJSA-N 1 0 378.885 2.896 20 0 GFADRO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)C1 ZINC000415277695 563765033 /nfs/dbraw/zinc/76/50/33/563765033.db2.gz FOJANGGVMNBMQZ-JTQLQIEISA-N 1 0 377.794 2.755 20 0 GFADRO [NH3+]C[C@@H]1CCN(C(=O)Nc2ccc(Cl)cc2I)C1 ZINC000415282252 563765290 /nfs/dbraw/zinc/76/52/90/563765290.db2.gz KCDRMYJEZFJLNZ-QMMMGPOBSA-N 1 0 379.629 2.757 20 0 GFADRO O=C(c1nc(Br)ccc1Br)N1CC[NH+]2CCC1CC2 ZINC000364852860 563766045 /nfs/dbraw/zinc/76/60/45/563766045.db2.gz QUSBBBNMSQDZGC-UHFFFAOYSA-N 1 0 389.091 2.527 20 0 GFADRO [NH3+][C@H]1CCN(C(=O)Nc2cccc(Oc3ncc(Br)cn3)c2)C1 ZINC000415300847 563766266 /nfs/dbraw/zinc/76/62/66/563766266.db2.gz KRGVEKVQOBQYBN-NSHDSACASA-N 1 0 378.230 2.596 20 0 GFADRO CCCC[N@H+](C)CCNC(=O)C(=O)Nc1c(F)cc(Br)cc1F ZINC000441992378 563767162 /nfs/dbraw/zinc/76/71/62/563767162.db2.gz XNZXQICIYHWIIW-UHFFFAOYSA-N 1 0 392.244 2.514 20 0 GFADRO CCOC(=O)c1c(NC(=O)N2CC[C@H]([NH3+])[C@@H](C)C2)sc2c1CCSC2 ZINC000415326545 563767452 /nfs/dbraw/zinc/76/74/52/563767452.db2.gz ANYKHZBOOJHYTJ-JQWIXIFHSA-N 1 0 383.539 2.915 20 0 GFADRO CCOC(=O)c1cc(Br)ccc1NC(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000415349789 563768972 /nfs/dbraw/zinc/76/89/72/563768972.db2.gz MEWGXQZIGMXPMG-NWDGAFQWSA-N 1 0 396.285 2.699 20 0 GFADRO O=C(CC[C@@H]1CCC[NH2+]1)N1CCN(C(=O)c2c(Cl)cccc2Cl)CC1 ZINC000292000762 563769221 /nfs/dbraw/zinc/76/92/21/563769221.db2.gz CCUZFPMNPCLWNT-ZDUSSCGKSA-N 1 0 384.307 2.810 20 0 GFADRO C[C@H](C(=O)N1CCC([N@H+](C)CCCO)CC1)c1cccc(Br)c1 ZINC000292005092 563769269 /nfs/dbraw/zinc/76/92/69/563769269.db2.gz XOCAHHVHMQCZJG-AWEZNQCLSA-N 1 0 383.330 2.858 20 0 GFADRO C[NH2+]C[C@@H]1CCN(C(=O)Nc2cccc(F)c2I)C1 ZINC000415352224 563769332 /nfs/dbraw/zinc/76/93/32/563769332.db2.gz AUBRBGMXVRRDRK-VIFPVBQESA-N 1 0 377.201 2.504 20 0 GFADRO [NH3+]C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(Br)c(Cl)c2Cl)C1 ZINC000415352321 563769462 /nfs/dbraw/zinc/76/94/62/563769462.db2.gz KGKOYEHBUKPLGH-ZETCQYMHSA-N 1 0 395.084 2.502 20 0 GFADRO C[C@@H](NC(=O)C(=O)Nc1cccc(Br)c1Cl)[C@@H]1CCC[NH2+]C1 ZINC000415349945 563769424 /nfs/dbraw/zinc/76/94/24/563769424.db2.gz HEOMEVJTIIOUPE-NXEZZACHSA-N 1 0 388.693 2.545 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000415350257 563769574 /nfs/dbraw/zinc/76/95/74/563769574.db2.gz MOUMLBHWTOBQBC-OLZOCXBDSA-N 1 0 382.302 2.509 20 0 GFADRO C[C@@H](NC(=O)C(=O)Nc1ccc(Br)c(Cl)c1)[C@@H]1CCC[NH2+]C1 ZINC000415357112 563769937 /nfs/dbraw/zinc/76/99/37/563769937.db2.gz VYVBTZZKURKGAI-NXEZZACHSA-N 1 0 388.693 2.545 20 0 GFADRO CCOC(=O)c1cc(Br)ccc1NC(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000415355449 563770171 /nfs/dbraw/zinc/77/01/71/563770171.db2.gz TZQQYMFZYFFJSR-GWCFXTLKSA-N 1 0 384.274 2.745 20 0 GFADRO O=C(NC[C@@H]1CCC[NH2+]C1)Nc1cccc(F)c1I ZINC000415363464 563770552 /nfs/dbraw/zinc/77/05/52/563770552.db2.gz QJUBOIWDKFHFOY-SECBINFHSA-N 1 0 377.201 2.551 20 0 GFADRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)Nc1cccc(F)c1I ZINC000415359627 563770736 /nfs/dbraw/zinc/77/07/36/563770736.db2.gz KXKBMXBCBWTBAQ-SCZZXKLOSA-N 1 0 377.201 2.550 20 0 GFADRO C[C@@H]1CCN(C(=O)Nc2cccc(F)c2I)C[C@@H]1C[NH3+] ZINC000415365243 563771306 /nfs/dbraw/zinc/77/13/06/563771306.db2.gz UDYFXEPBLDJBCJ-ZJUUUORDSA-N 1 0 391.228 2.879 20 0 GFADRO CC[C@@H](C)Sc1ccc(NC(=O)C(=O)NCC[NH2+]C)c(C(F)(F)F)c1 ZINC000415365816 563771489 /nfs/dbraw/zinc/77/14/89/563771489.db2.gz WPRAEZTVYJBSHW-SNVBAGLBSA-N 1 0 377.432 2.870 20 0 GFADRO C[C@H]([NH3+])C1CCN(C(=O)C(=O)Nc2ccc(C(F)(F)F)cc2Cl)CC1 ZINC000415390472 563771847 /nfs/dbraw/zinc/77/18/47/563771847.db2.gz UWPAFOCCIIPNHD-VIFPVBQESA-N 1 0 377.794 2.883 20 0 GFADRO C[C@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)nc2)CC[N@@H+](C2CCC2)C1 ZINC000292050984 563771839 /nfs/dbraw/zinc/77/18/39/563771839.db2.gz NOUHWTLJCQSOTO-GFCCVEGCSA-N 1 0 377.432 2.595 20 0 GFADRO COC(=O)c1cc(Br)cc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000292051311 563771926 /nfs/dbraw/zinc/77/19/26/563771926.db2.gz GRBKGBYOPGHFOX-CABCVRRESA-N 1 0 381.270 2.544 20 0 GFADRO C[C@@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)nc2)CC[N@@H+](C2CCC2)C1 ZINC000292050988 563772062 /nfs/dbraw/zinc/77/20/62/563772062.db2.gz NOUHWTLJCQSOTO-LBPRGKRZSA-N 1 0 377.432 2.595 20 0 GFADRO CCCN(C(=O)C(=O)Nc1cccc(Cl)c1Br)[C@H]1CC[NH2+]C1 ZINC000415389623 563772103 /nfs/dbraw/zinc/77/21/03/563772103.db2.gz GKJNKTZRRODAEU-JTQLQIEISA-N 1 0 388.693 2.642 20 0 GFADRO Cc1nc2cc(Cl)c(NC(=O)C(=O)NCC[C@H]3CCC[NH2+]C3)cc2s1 ZINC000415400143 563772415 /nfs/dbraw/zinc/77/24/15/563772415.db2.gz FKFKFCWUKJLYFB-LLVKDONJSA-N 1 0 380.901 2.703 20 0 GFADRO Cc1cc(F)c(NC(=O)N[C@H]2C[NH2+]CC[C@H]2C)c(I)c1 ZINC000415394153 563772663 /nfs/dbraw/zinc/77/26/63/563772663.db2.gz QGQUENWVNDCTDL-SKDRFNHKSA-N 1 0 391.228 2.858 20 0 GFADRO C[C@@H](CCCC[NH3+])NC(=O)[C@@H]1CCCN1C(=O)c1ccc(Br)cc1 ZINC000292078357 563772730 /nfs/dbraw/zinc/77/27/30/563772730.db2.gz LXGPLPDZGFJWOW-BBRMVZONSA-N 1 0 396.329 2.687 20 0 GFADRO Cc1cccc(C(=O)N2CC[C@]3(CCC[C@H]3[NH3+])C2)c1I ZINC000365084396 563773521 /nfs/dbraw/zinc/77/35/21/563773521.db2.gz KAPBTWOAVHTFTM-CZUORRHYSA-N 1 0 384.261 2.943 20 0 GFADRO O=C(NCC[C@@H]1CC[NH2+]C1)C(=O)Nc1ccc(-c2ccc(Cl)s2)nc1 ZINC000415414128 563773577 /nfs/dbraw/zinc/77/35/77/563773577.db2.gz ZGWSHQJKEJSFRW-NSHDSACASA-N 1 0 378.885 2.518 20 0 GFADRO COC(=O)c1cc(NC(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)ccc1Br ZINC000415408549 563773798 /nfs/dbraw/zinc/77/37/98/563773798.db2.gz QZAAZQMMVTUKCP-SDDRHHMPSA-N 1 0 396.285 2.745 20 0 GFADRO COCCOc1ccc(Br)cc1NC(=O)NCC[C@H]1CC[NH2+]C1 ZINC000415423730 563774135 /nfs/dbraw/zinc/77/41/35/563774135.db2.gz HCKPQCKBKMWQME-GFCCVEGCSA-N 1 0 386.290 2.595 20 0 GFADRO C[NH2+]C[C@H]1CCN(C(=O)Nc2cc(Br)ccc2OCCOC)C1 ZINC000415420866 563774138 /nfs/dbraw/zinc/77/41/38/563774138.db2.gz BBRFTRPEOFCZRW-GFCCVEGCSA-N 1 0 386.290 2.548 20 0 GFADRO COC(=O)c1cc(Br)cc(C(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000292107224 563774664 /nfs/dbraw/zinc/77/46/64/563774664.db2.gz LVMSVKXZNOYUMI-NHYWBVRUSA-N 1 0 383.286 2.790 20 0 GFADRO COCCOc1ccc(Br)cc1NC(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000415430518 563774877 /nfs/dbraw/zinc/77/48/77/563774877.db2.gz SXUJGAQSDXHTNU-AAEUAGOBSA-N 1 0 386.290 2.594 20 0 GFADRO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)Nc1cccc(Br)c1Cl ZINC000415432883 563775481 /nfs/dbraw/zinc/77/54/81/563775481.db2.gz UXWZYICBOOAFPP-SECBINFHSA-N 1 0 376.682 2.531 20 0 GFADRO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)Nc1ccc(-c2ccc(Cl)s2)nc1 ZINC000415433687 563775685 /nfs/dbraw/zinc/77/56/85/563775685.db2.gz VQGAVLZXUJEUHL-GFCCVEGCSA-N 1 0 380.901 2.892 20 0 GFADRO [NH3+]CC[C@H]1CCCN(C(=O)[C@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)C1 ZINC000442620959 563776047 /nfs/dbraw/zinc/77/60/47/563776047.db2.gz SVHCHAVKJSBRHB-TZMCWYRMSA-N 1 0 384.307 2.934 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)Nc1ccc(S(C)(=O)=O)c(C(F)F)c1 ZINC000415445189 563776207 /nfs/dbraw/zinc/77/62/07/563776207.db2.gz VSEZAXVGFKGAKB-GXFFZTMASA-N 1 0 375.441 2.761 20 0 GFADRO Cc1ccc(SCC(F)(F)F)c(NC(=O)C(=O)NC[C@@H]([NH3+])C(C)C)c1 ZINC000415441398 563776219 /nfs/dbraw/zinc/77/62/19/563776219.db2.gz PDSOXSFPIUQMEY-LLVKDONJSA-N 1 0 377.432 2.687 20 0 GFADRO C[C@@H]1CCCN(C(=O)Nc2ccc(S(C)(=O)=O)c(C(F)F)c2)[C@H]1C[NH3+] ZINC000415440889 563776385 /nfs/dbraw/zinc/77/63/85/563776385.db2.gz SBLIKYJDYMJPMZ-MFKMUULPSA-N 1 0 375.441 2.619 20 0 GFADRO CCOCCOc1ccc(Br)cc1NC(=O)NC[C@H](C)C[NH2+]C ZINC000415464153 563776938 /nfs/dbraw/zinc/77/69/38/563776938.db2.gz QWKFWLKKBFAGMR-GFCCVEGCSA-N 1 0 388.306 2.841 20 0 GFADRO C[C@@H](C(=O)N1CCC(C(=O)Nc2ccc(Br)cc2)CC1)[C@H](C)[NH3+] ZINC000365192066 563777062 /nfs/dbraw/zinc/77/70/62/563777062.db2.gz OUWFQXRLXFELMD-NEPJUHHUSA-N 1 0 382.302 2.610 20 0 GFADRO O=S(=O)(N[C@H]1CC[N@H+](CC2CCCC2)C1)c1cnccc1C(F)(F)F ZINC000442742456 563777460 /nfs/dbraw/zinc/77/74/60/563777460.db2.gz ITPLOOBQQNDQPD-ZDUSSCGKSA-N 1 0 377.432 2.643 20 0 GFADRO O=C(Cc1ccc(I)cc1)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000365210545 563777766 /nfs/dbraw/zinc/77/77/66/563777766.db2.gz NLYYJMABCUUGRI-HUUCEWRRSA-N 1 0 384.261 2.577 20 0 GFADRO CC(C)[C@@](C)(C[NH3+])NC(=O)Nc1cc(Br)cnc1-n1cccn1 ZINC000415481216 563778179 /nfs/dbraw/zinc/77/81/79/563778179.db2.gz KJLGQXVWBXEWBI-OAHLLOKOSA-N 1 0 381.278 2.525 20 0 GFADRO CC[NH2+]CC1CCN(C(=O)C(=O)Nc2cc(Cl)c(OC)c(Cl)c2)CC1 ZINC000415475842 563778314 /nfs/dbraw/zinc/77/83/14/563778314.db2.gz JKSBCOLTDPRCCS-UHFFFAOYSA-N 1 0 388.295 2.789 20 0 GFADRO CCC([NH3+])(CC)CNC(=O)C(=O)Nc1ccc(Cl)cc1OCC(F)F ZINC000415491538 563778953 /nfs/dbraw/zinc/77/89/53/563778953.db2.gz OAUFJFXAJVDODA-UHFFFAOYSA-N 1 0 377.819 2.556 20 0 GFADRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)Nc1ccc(Cl)c(Br)c1 ZINC000415496184 563779473 /nfs/dbraw/zinc/77/94/73/563779473.db2.gz GMKIDSMRCSSSSZ-ZDUSSCGKSA-N 1 0 390.709 2.873 20 0 GFADRO Cc1ccc(F)c(NC(=O)C(=O)N(C)CC[C@@H]([NH3+])C(C)C)c1Br ZINC000415506454 563780166 /nfs/dbraw/zinc/78/01/66/563780166.db2.gz RPPPUCBBTWRWID-GFCCVEGCSA-N 1 0 388.281 2.667 20 0 GFADRO CCCC[C@H](C[NH3+])NC(=O)C(=O)Nc1cccc2cncc(Br)c21 ZINC000415508627 563780357 /nfs/dbraw/zinc/78/03/57/563780357.db2.gz YDIRWTZELIYURZ-GFCCVEGCSA-N 1 0 393.285 2.570 20 0 GFADRO O=C(Nc1cc(Cl)cc(C(F)(F)F)c1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000415506833 563780429 /nfs/dbraw/zinc/78/04/29/563780429.db2.gz MBIHYVAOAKIFTO-CQSZACIVSA-N 1 0 376.810 2.870 20 0 GFADRO Cc1ccc(I)cc1NC(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000415507206 563780455 /nfs/dbraw/zinc/78/04/55/563780455.db2.gz MMEVOOAIOZTARO-ZDUSSCGKSA-N 1 0 385.249 2.958 20 0 GFADRO CCn1cc(Br)cc1C(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC000365361473 563781009 /nfs/dbraw/zinc/78/10/09/563781009.db2.gz ZIJGWHMTVNVVBR-ZDUSSCGKSA-N 1 0 384.318 2.596 20 0 GFADRO O=S(=O)(NC1CCN(CC[NH+]2CCCCC2)CC1)c1ccc(Cl)cc1 ZINC000365371878 563781043 /nfs/dbraw/zinc/78/10/43/563781043.db2.gz JFWMZCMJZTUXAK-UHFFFAOYSA-N 1 0 385.961 2.569 20 0 GFADRO [NH3+]C[C@@H](NC(=O)Nc1ccnn1Cc1ccccc1Br)C1CC1 ZINC000415522818 563781208 /nfs/dbraw/zinc/78/12/08/563781208.db2.gz NTZOKTDPYIFUFC-CQSZACIVSA-N 1 0 378.274 2.553 20 0 GFADRO C[C@]1(C[NH3+])CCN(C(=O)Nc2ccnn2Cc2ccc(Br)cc2)C1 ZINC000415521343 563781633 /nfs/dbraw/zinc/78/16/33/563781633.db2.gz CBMAKEJNYDCDGH-QGZVFWFLSA-N 1 0 392.301 2.897 20 0 GFADRO O=S1(=O)CC[C@@H]([NH2+]C2CCN(c3ncc(-c4ccccc4)s3)CC2)C1 ZINC000365402712 563782236 /nfs/dbraw/zinc/78/22/36/563782236.db2.gz CNRNDRVFVRXWMA-MRXNPFEDSA-N 1 0 377.535 2.556 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)Nc2ccnn2Cc2cccc(Br)c2)CC[NH2+]1 ZINC000415529807 563783146 /nfs/dbraw/zinc/78/31/46/563783146.db2.gz UIKIEPXVAUFJPF-DOMZBBRYSA-N 1 0 392.301 2.956 20 0 GFADRO O=C(Nc1cc(Br)ccc1F)C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000415536435 563783657 /nfs/dbraw/zinc/78/36/57/563783657.db2.gz FFCRUBRNYVHDNG-CQSZACIVSA-N 1 0 398.276 2.517 20 0 GFADRO C[N@@H+]1CC[C@@H](CNC(=O)CSCC(=O)OC(C)(C)C)[C@H]1c1cccs1 ZINC000365453537 563783991 /nfs/dbraw/zinc/78/39/91/563783991.db2.gz ITOYEUXLRGNFII-GUYCJALGSA-N 1 0 384.567 2.932 20 0 GFADRO CC1(CNC(=O)C(=O)Nc2ccc(Br)cc2Cl)CC[NH2+]CC1 ZINC000415563349 563784411 /nfs/dbraw/zinc/78/44/11/563784411.db2.gz AWRRNZYMZARSPF-UHFFFAOYSA-N 1 0 388.693 2.547 20 0 GFADRO CO[C@H]1CCN(C(=O)Nc2c(F)cc(F)cc2Br)[C@H](C[NH3+])C1 ZINC000415563245 563784475 /nfs/dbraw/zinc/78/44/75/563784475.db2.gz YBWITYNEILZVPI-UWVGGRQHSA-N 1 0 378.217 2.697 20 0 GFADRO Cc1cc(Cl)cc(NC(=O)C(=O)N2C[C@H](C)[NH2+]C[C@@H]2C)c1Br ZINC000415568385 563785033 /nfs/dbraw/zinc/78/50/33/563785033.db2.gz QUAMEUHRNOFEQN-UWVGGRQHSA-N 1 0 388.693 2.558 20 0 GFADRO COC(=O)c1cc(NC(=O)NC2(C[NH3+])CCCC2)cc(Br)c1F ZINC000415595326 563786352 /nfs/dbraw/zinc/78/63/52/563786352.db2.gz ATCJSGDEHIGVCT-UHFFFAOYSA-N 1 0 388.237 2.768 20 0 GFADRO COC(=O)c1c(C)c(NC(=O)N(C)CC(C)(C)C[NH3+])ccc1Br ZINC000415598588 563786393 /nfs/dbraw/zinc/78/63/93/563786393.db2.gz KVJBLXLZAFOEBS-UHFFFAOYSA-N 1 0 386.290 2.993 20 0 GFADRO COC(=O)c1c(Br)ccc(NC(=O)N2CC[NH2+]C(C)(C)C2)c1C ZINC000415601989 563786770 /nfs/dbraw/zinc/78/67/70/563786770.db2.gz QMBRQVIPFXPECO-UHFFFAOYSA-N 1 0 384.274 2.760 20 0 GFADRO Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)NC(=O)[C@H]([NH3+])CCC(N)=O ZINC000365544962 563786957 /nfs/dbraw/zinc/78/69/57/563786957.db2.gz ACMNWYAQSSXTBI-TVQRCGJNSA-N 1 0 380.901 2.542 20 0 GFADRO COc1ccc(NC(=O)N[C@@H]2CC[NH2+][C@H](C)C2)c(I)c1 ZINC000415603061 563786946 /nfs/dbraw/zinc/78/69/46/563786946.db2.gz ZKDCUIDWVYLCBG-NXEZZACHSA-N 1 0 389.237 2.562 20 0 GFADRO COc1ccc(NC(=O)N2CCC(C[NH3+])CC2)c(I)c1 ZINC000415602943 563787048 /nfs/dbraw/zinc/78/70/48/563787048.db2.gz ZAYSYMHIENTDAD-UHFFFAOYSA-N 1 0 389.237 2.502 20 0 GFADRO CO[C@@H]1CCN(C(=O)Nc2cc(F)cc(Br)c2F)[C@@H](C[NH3+])C1 ZINC000415613805 563788011 /nfs/dbraw/zinc/78/80/11/563788011.db2.gz AGFGSKWHHLRTHA-NXEZZACHSA-N 1 0 378.217 2.697 20 0 GFADRO COC(=O)c1cc(NC(=O)N(C)[C@H](C[NH3+])C2CC2)cc(Br)c1F ZINC000415617149 563788166 /nfs/dbraw/zinc/78/81/66/563788166.db2.gz UWUURHLFXWQAQZ-GFCCVEGCSA-N 1 0 388.237 2.576 20 0 GFADRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(S(=O)(=O)Cc2ccc(Cl)nc2)C1 ZINC000365593176 563788476 /nfs/dbraw/zinc/78/84/76/563788476.db2.gz SODCUORRSSPVDB-QGZVFWFLSA-N 1 0 379.913 2.771 20 0 GFADRO COC(=O)c1cc(F)c(Br)cc1NC(=O)N[C@H]1CC[NH2+][C@@H](C)C1 ZINC000415631635 563788936 /nfs/dbraw/zinc/78/89/36/563788936.db2.gz MNXDVOWCFMRNCE-IUCAKERBSA-N 1 0 388.237 2.637 20 0 GFADRO CC(C)[C@](C)(C[NH3+])NC(=O)Nc1ccc(-c2ccc(Br)s2)nn1 ZINC000415636138 563789309 /nfs/dbraw/zinc/78/93/09/563789309.db2.gz DRYBAIHJIIRTIE-HNNXBMFYSA-N 1 0 398.330 3.463 20 0 GFADRO C[C@@H]1CCCN(C(=O)Nc2ccnn2-c2ccc(Br)cn2)[C@@H]1C[NH3+] ZINC000415639749 563790189 /nfs/dbraw/zinc/79/01/89/563790189.db2.gz QGSIDBICLSCUNA-DGCLKSJQSA-N 1 0 393.289 2.621 20 0 GFADRO CC[NH2+][C@H](C)CNC(=O)Nc1ccc(-c2ccc(Br)s2)nn1 ZINC000415639157 563790209 /nfs/dbraw/zinc/79/02/09/563790209.db2.gz OTGDBZUYMVLKNR-SECBINFHSA-N 1 0 384.303 3.087 20 0 GFADRO CC(C)(C)[C@@H](C[NH3+])NC(=O)Nc1ccnn1-c1ccc(Br)cn1 ZINC000415638818 563790253 /nfs/dbraw/zinc/79/02/53/563790253.db2.gz OZUFSTUPDIEMQR-LLVKDONJSA-N 1 0 381.278 2.525 20 0 GFADRO Cc1ccc(NC(=O)C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)c(Br)c1 ZINC000415669345 563790615 /nfs/dbraw/zinc/79/06/15/563790615.db2.gz BJTCEHOWWXZADB-AWEZNQCLSA-N 1 0 382.302 2.590 20 0 GFADRO CC[NH2+][C@H](C)CNC(=O)C(=O)Nc1cc(Br)cc(C(F)(F)F)c1 ZINC000415654095 563790706 /nfs/dbraw/zinc/79/07/06/563790706.db2.gz HJLKHLDNIKVGLG-MRVPVSSYSA-N 1 0 396.207 2.521 20 0 GFADRO Cc1ccc(Br)c(NC(=O)C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)c1 ZINC000415676659 563790871 /nfs/dbraw/zinc/79/08/71/563790871.db2.gz NEFGZYOWZSCKCE-AWEZNQCLSA-N 1 0 382.302 2.590 20 0 GFADRO COC(=O)c1cc(NC(=O)N(C2CC2)[C@H]2CC[NH2+]C2)c(C)cc1Br ZINC000415706627 563792040 /nfs/dbraw/zinc/79/20/40/563792040.db2.gz LJVHHHTYBGRXDA-LBPRGKRZSA-N 1 0 396.285 2.902 20 0 GFADRO COC(=O)c1cc(NC(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)c(C)cc1Br ZINC000415707093 563792107 /nfs/dbraw/zinc/79/21/07/563792107.db2.gz LWOIBMKBZDNOCR-RISCZKNCSA-N 1 0 396.285 2.760 20 0 GFADRO COC(=O)c1cc(NC(=O)NCC2=CC[NH2+]CC2)c(C)cc1Br ZINC000415706226 563792158 /nfs/dbraw/zinc/79/21/58/563792158.db2.gz KRKOQNKRCZCEEX-UHFFFAOYSA-N 1 0 382.258 2.585 20 0 GFADRO Cc1cc(I)cc(NC(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)c1 ZINC000415712281 563792869 /nfs/dbraw/zinc/79/28/69/563792869.db2.gz QVLYRBBZDAKXLH-RYUDHWBXSA-N 1 0 385.249 2.673 20 0 GFADRO [NH3+]C[C@H]1CCCC[C@H]1NC(=O)Nc1ccn(-c2ccc(Br)cc2)n1 ZINC000415762544 563795010 /nfs/dbraw/zinc/79/50/10/563795010.db2.gz WMKCCSFKUSOVRU-IUODEOHRSA-N 1 0 392.301 3.274 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)Nc2ccn(-c3ccc(Br)cc3)n2)C1 ZINC000415761771 563795076 /nfs/dbraw/zinc/79/50/76/563795076.db2.gz VDSCVYHKKNATRX-QWHCGFSZSA-N 1 0 392.301 3.226 20 0 GFADRO O=C(CCN1CC[NH+]([C@H]2CCSC2)CC1)Nc1cccc(Br)c1 ZINC000365867174 563795497 /nfs/dbraw/zinc/79/54/97/563795497.db2.gz KLYVZPZTCPVXIE-INIZCTEOSA-N 1 0 398.370 2.901 20 0 GFADRO O=C(Nc1ccc(C(F)(F)F)cc1Cl)C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000415774483 563796267 /nfs/dbraw/zinc/79/62/67/563796267.db2.gz YLFNTDXGYVEWMV-CABZTGNLSA-N 1 0 375.778 2.508 20 0 GFADRO O=C(NCCC[C@H]1CCC[NH2+]1)C(=O)Nc1ccc(Cl)cc1OC(F)F ZINC000415799550 563796860 /nfs/dbraw/zinc/79/68/60/563796860.db2.gz CPPDGAWKGQBKIJ-LLVKDONJSA-N 1 0 375.803 2.528 20 0 GFADRO COC[C@@]1(CNC(=O)Nc2cc(Cl)cc(Br)c2)CCC[NH2+]1 ZINC000415799401 563797100 /nfs/dbraw/zinc/79/71/00/563797100.db2.gz CHCJWZBPDIMZJH-AWEZNQCLSA-N 1 0 376.682 2.993 20 0 GFADRO O=C(NCCC[C@H]1CCC[NH2+]1)C(=O)Nc1ccc(Cl)cc1Br ZINC000415805931 563797542 /nfs/dbraw/zinc/79/75/42/563797542.db2.gz OJRBNYUHOYMGRR-LLVKDONJSA-N 1 0 388.693 2.689 20 0 GFADRO [NH3+][C@H]1CCC[C@@H](CNC(=O)C(=O)Nc2ccc(Cl)c(Br)c2)C1 ZINC000415819089 563798081 /nfs/dbraw/zinc/79/80/81/563798081.db2.gz XUBWFDIZEFWMLK-ZJUUUORDSA-N 1 0 388.693 2.675 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H](CNC(=O)C(=O)Nc2cc3c(cc2Br)CCC3)C1 ZINC000415819497 563798263 /nfs/dbraw/zinc/79/82/63/563798263.db2.gz YERSOSPPQMWOMK-BXUZGUMPSA-N 1 0 394.313 2.510 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000415820392 563798353 /nfs/dbraw/zinc/79/83/53/563798353.db2.gz ZTVZFEMPWWNRBN-OCCSQVGLSA-N 1 0 382.302 2.638 20 0 GFADRO [NH3+]C[C@@H](NC(=O)C(=O)Nc1ccc(Cl)cc1C(F)(F)F)C1CCCC1 ZINC000415841939 563798957 /nfs/dbraw/zinc/79/89/57/563798957.db2.gz OOHOZOSOLSRBKQ-CYBMUJFWSA-N 1 0 377.794 2.931 20 0 GFADRO [NH3+]CC[C@@H](NC(=O)C(=O)Nc1ccc(C(F)(F)F)cc1Cl)C(F)(F)F ZINC000415830654 563798977 /nfs/dbraw/zinc/79/89/77/563798977.db2.gz GPXBYTSHALVQGD-SECBINFHSA-N 1 0 391.699 2.693 20 0 GFADRO Cc1ccc(-c2csc(NC(=O)C(=O)N3CC[C@H](C)[C@H](C[NH3+])C3)n2)s1 ZINC000415833967 563799128 /nfs/dbraw/zinc/79/91/28/563799128.db2.gz AIDUUDTWSWBKEW-CMPLNLGQSA-N 1 0 378.523 2.562 20 0 GFADRO CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)C(=O)Nc2cccc(Br)c2)CC1 ZINC000415865214 563799479 /nfs/dbraw/zinc/79/94/79/563799479.db2.gz UFPRVDJAPFDYRL-OAHLLOKOSA-N 1 0 394.313 2.624 20 0 GFADRO Cc1cc(Cl)cc(NC(=O)C(=O)NCCC[NH2+]C2CC2)c1Br ZINC000415868942 563799582 /nfs/dbraw/zinc/79/95/82/563799582.db2.gz MNXOJGDOAZLFLG-UHFFFAOYSA-N 1 0 388.693 2.608 20 0 GFADRO O=C(NCCC[NH2+]C1CC1)C(=O)Nc1ccc(Br)c2ccccc12 ZINC000415862027 563799691 /nfs/dbraw/zinc/79/96/91/563799691.db2.gz RKZFIZVLFDTAPB-UHFFFAOYSA-N 1 0 390.281 2.799 20 0 GFADRO O=C(Cc1cccc(I)c1)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000366178476 563800349 /nfs/dbraw/zinc/80/03/49/563800349.db2.gz LKZRSSQNGZOPEO-HNNXBMFYSA-N 1 0 384.261 2.530 20 0 GFADRO C[C@](CO)(NC(=O)N[C@H](CC[NH3+])C(F)(F)F)c1cc(Cl)cc(Cl)c1 ZINC000415990605 563801832 /nfs/dbraw/zinc/80/18/32/563801832.db2.gz DCGFBUMCDFPTMG-DGCLKSJQSA-N 1 0 388.217 2.780 20 0 GFADRO [NH3+]CC[C@@H](NC(=O)N[C@H]1CCOc2ccc(Br)cc21)C(F)(F)F ZINC000415993480 563802086 /nfs/dbraw/zinc/80/20/86/563802086.db2.gz JFFRVILSPPCBIG-CMPLNLGQSA-N 1 0 396.207 2.852 20 0 GFADRO CCOC(=O)CCCNC(=O)C[NH2+][C@H](C)c1ccc(Br)s1 ZINC000443351116 563802496 /nfs/dbraw/zinc/80/24/96/563802496.db2.gz ZINDCJPNXVJUGV-SNVBAGLBSA-N 1 0 377.304 2.621 20 0 GFADRO CC[C@@](C)(COc1ncccc1Cl)NC(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000416029339 563803354 /nfs/dbraw/zinc/80/33/54/563803354.db2.gz LEMBNMIEGMMWSK-RISCZKNCSA-N 1 0 382.814 2.861 20 0 GFADRO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1ccsc1C(=O)OC ZINC000443373184 563803543 /nfs/dbraw/zinc/80/35/43/563803543.db2.gz NPFSYYFAKVRZQX-KBPBESRZSA-N 1 0 388.555 2.714 20 0 GFADRO O=C(NCc1ccc(O)c(Br)c1)NC1CC([NH+]2CCCCC2)C1 ZINC000366318459 563805681 /nfs/dbraw/zinc/80/56/81/563805681.db2.gz USMPXFFIMJSZPD-UHFFFAOYSA-N 1 0 382.302 2.971 20 0 GFADRO Cc1nc(C(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)nn1-c1c(Cl)cccc1Cl ZINC000293370819 563810193 /nfs/dbraw/zinc/81/01/93/563810193.db2.gz KXIGTLXDCXJKBC-RISCZKNCSA-N 1 0 380.279 2.707 20 0 GFADRO C[C@@H]1CN(C(=O)CCCc2ccc(Br)s2)[C@@H](C)C[N@@H+]1CCO ZINC000416287150 563812928 /nfs/dbraw/zinc/81/29/28/563812928.db2.gz BTPXLDPQOKLDFV-OLZOCXBDSA-N 1 0 389.359 2.747 20 0 GFADRO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)CCCOc1cccc(Br)c1 ZINC000416290385 563813865 /nfs/dbraw/zinc/81/38/65/563813865.db2.gz GQINHJQMGQKRQQ-HUUCEWRRSA-N 1 0 399.329 2.522 20 0 GFADRO CC[NH+](CC)CCN(Cc1cccs1)C(=O)C[C@H]1CCCS(=O)(=O)C1 ZINC000293512145 563816718 /nfs/dbraw/zinc/81/67/18/563816718.db2.gz XINVTJCUGQAXRU-MRXNPFEDSA-N 1 0 386.583 2.633 20 0 GFADRO C[C@@H]1CN(C[C@@H](O)COc2ccc(Cl)cc2Br)C[C@H](C)[N@H+]1C ZINC000293547931 563817885 /nfs/dbraw/zinc/81/78/85/563817885.db2.gz YSZPJVDXGVUTQQ-MBNYWOFBSA-N 1 0 391.737 2.867 20 0 GFADRO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CCCc1cnn(C)n1 ZINC000293563145 563818524 /nfs/dbraw/zinc/81/85/24/563818524.db2.gz ASBXREWTVGVYRE-GFCCVEGCSA-N 1 0 380.290 2.517 20 0 GFADRO COc1cc(OC)c(S(=O)(=O)NCC(C)(C)[NH+]2CCCCC2)cc1Cl ZINC000416373105 563819271 /nfs/dbraw/zinc/81/92/71/563819271.db2.gz PJFWOKGTLXOZTI-UHFFFAOYSA-N 1 0 390.933 2.900 20 0 GFADRO C[C@@H](NC(=O)c1nn(C)cc1Br)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000293603503 563820350 /nfs/dbraw/zinc/82/03/50/563820350.db2.gz YCVNPLAMHLLGOG-HIFRSBDPSA-N 1 0 391.313 2.823 20 0 GFADRO O=S(=O)(c1ccc(CC(F)(F)F)cc1)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000366940363 563825247 /nfs/dbraw/zinc/82/52/47/563825247.db2.gz HDSFLZGPQCLTCX-INIZCTEOSA-N 1 0 376.444 2.944 20 0 GFADRO CC[N@@H+]1C[C@@H](C)N(C(=O)c2cnc3ccc(Br)cc3c2O)C[C@H]1C ZINC000444326088 563828373 /nfs/dbraw/zinc/82/83/73/563828373.db2.gz ORIDBCUTOHDIAY-VXGBXAGGSA-N 1 0 392.297 2.845 20 0 GFADRO C[C@H]1CN(C(=O)CSc2ccccc2Cl)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000367046764 563829501 /nfs/dbraw/zinc/82/95/01/563829501.db2.gz YVJFYRSEZJMYQE-DOTOQJQBSA-N 1 0 381.973 2.917 20 0 GFADRO CN(Cc1ncc(I)s1)C[C@H](O)Cc1ccccc1 ZINC000294028274 563830098 /nfs/dbraw/zinc/83/00/98/563830098.db2.gz VLIWTQICASBSJA-GFCCVEGCSA-N 1 0 388.274 2.783 20 0 GFADRO COc1cccc([C@H]2C[C@H](O)CN2CC(=O)NCc2ccc(Cl)s2)c1 ZINC000367087495 563830415 /nfs/dbraw/zinc/83/04/15/563830415.db2.gz PZNDJUJOUOTLCG-XJKSGUPXSA-N 1 0 380.897 2.834 20 0 GFADRO CC(C)[C@H]1CN(C(=O)c2cnc3ccc(Br)cc3c2O)CC[N@@H+]1C ZINC000444404356 563830919 /nfs/dbraw/zinc/83/09/19/563830919.db2.gz SASVTCNBLWFZTN-MRXNPFEDSA-N 1 0 392.297 2.703 20 0 GFADRO Cc1ccc(C(=O)Nc2ccnn2CC[NH+](C)C)cc1I ZINC000294179289 563832993 /nfs/dbraw/zinc/83/29/93/563832993.db2.gz TUOBEDHMCBVHNF-UHFFFAOYSA-N 1 0 398.248 2.610 20 0 GFADRO C[C@@H]1CN(C(=O)c2c[nH]nc2-c2ccc(Cl)s2)CC[N@@H+]1CC(C)(C)O ZINC000444551979 563833215 /nfs/dbraw/zinc/83/32/15/563833215.db2.gz OPXNVCSTRRTGSW-LLVKDONJSA-N 1 0 382.917 2.709 20 0 GFADRO CCN(CCC[NH+]1CCCC1)S(=O)(=O)c1cccc(Cl)c1C(=O)OC ZINC000416473698 563834443 /nfs/dbraw/zinc/83/44/43/563834443.db2.gz WRQBDDFWOWGEHI-UHFFFAOYSA-N 1 0 388.917 2.623 20 0 GFADRO COc1ccc(Cl)cc1N1CC[C@H]([NH2+][C@@H]2CCC[C@@H](S(C)(=O)=O)C2)C1 ZINC000294223284 563834811 /nfs/dbraw/zinc/83/48/11/563834811.db2.gz LZGGJNCYROJZSA-OWCLPIDISA-N 1 0 386.945 2.873 20 0 GFADRO Cc1cc(Br)ccc1C[N@@H+](C)C[C@H](O)CN1C[C@H](C)O[C@@H](C)C1 ZINC000444691669 563834837 /nfs/dbraw/zinc/83/48/37/563834837.db2.gz AIVJDISSOMXXES-MPGHIAIKSA-N 1 0 385.346 2.659 20 0 GFADRO NC(=O)c1cnn2c1C[C@@H](C[NH2+][C@@H]1CCc3sc(Br)cc31)CC2 ZINC000294379490 563841051 /nfs/dbraw/zinc/84/10/51/563841051.db2.gz RJRKALHDUUPWQG-JOYOIKCWSA-N 1 0 395.326 2.646 20 0 GFADRO O=C(c1cnn(-c2cccc(Br)c2)c1)N1CCC2(C1)CC[NH2+]CC2 ZINC000367376343 563842068 /nfs/dbraw/zinc/84/20/68/563842068.db2.gz CSRQCNUSRMONHB-UHFFFAOYSA-N 1 0 389.297 2.851 20 0 GFADRO O=C1[C@H]([NH2+][C@H]2CCC(=O)N[C@H]2C2CC2)CCN1c1ccc(Cl)cc1Cl ZINC000367375258 563842354 /nfs/dbraw/zinc/84/23/54/563842354.db2.gz QSIYVUHAVRAVTG-VBQJREDUSA-N 1 0 382.291 2.746 20 0 GFADRO Cc1ccc(S(=O)(=O)NCC2CC[NH+](C3CC3)CC2)c(Br)c1 ZINC000445065481 563842516 /nfs/dbraw/zinc/84/25/16/563842516.db2.gz LTHDVIWSUWSCAA-UHFFFAOYSA-N 1 0 387.343 2.910 20 0 GFADRO O=C(c1cc(=O)[nH]c2ccc(Br)cc21)N1CCC2(C1)CC[NH2+]CC2 ZINC000367380406 563842918 /nfs/dbraw/zinc/84/29/18/563842918.db2.gz SMAKLASUZCMQJZ-UHFFFAOYSA-N 1 0 390.281 2.919 20 0 GFADRO C[N@H+](CCCNC(=O)c1cc[nH]c(=O)c1Br)Cc1ccccc1 ZINC000445246751 563846579 /nfs/dbraw/zinc/84/65/79/563846579.db2.gz FSPXZVFFDMCCCT-UHFFFAOYSA-N 1 0 378.270 2.802 20 0 GFADRO C[NH+](C)CCN(Cc1ccsc1)S(=O)(=O)c1ccc(C(F)(F)F)nc1 ZINC000416553404 563847830 /nfs/dbraw/zinc/84/78/30/563847830.db2.gz INMLJPJQKQFISS-UHFFFAOYSA-N 1 0 393.456 2.914 20 0 GFADRO CSCC[C@H](O)C(=O)N(CC[NH+](C)C)Cc1ccc(C(F)(F)F)cc1 ZINC000294593097 563848017 /nfs/dbraw/zinc/84/80/17/563848017.db2.gz CGYFUTYZAOHHAB-HNNXBMFYSA-N 1 0 378.460 2.710 20 0 GFADRO O=C(c1cc(Br)cnc1OCC1CC1)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000367544294 563848534 /nfs/dbraw/zinc/84/85/34/563848534.db2.gz KLUQCTHVNWIMOH-OAHLLOKOSA-N 1 0 394.313 2.943 20 0 GFADRO CSc1ccc([C@@H](CNC(=O)COCc2nnc(C)s2)[NH+](C)C)cc1 ZINC000294632832 563849471 /nfs/dbraw/zinc/84/94/71/563849471.db2.gz ZMLRNKFSBDMABT-OAHLLOKOSA-N 1 0 380.539 2.504 20 0 GFADRO COc1cc(C)c(Br)cc1S(=O)(=O)NCC1([NH+](C)C)CCC1 ZINC000445713316 563852426 /nfs/dbraw/zinc/85/24/26/563852426.db2.gz CONHPGUQCVGWTD-UHFFFAOYSA-N 1 0 391.331 2.529 20 0 GFADRO COC(=O)[C@@H]1CN(C(=O)Nc2c(C)cc(Br)cc2C)CC[N@H+](C)C1 ZINC000416773427 563861310 /nfs/dbraw/zinc/86/13/10/563861310.db2.gz SGNWHTPKTSDAEV-ZDUSSCGKSA-N 1 0 398.301 2.634 20 0 GFADRO Cc1cc(C(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)nn1-c1ccc(Br)cc1 ZINC000367988797 563861567 /nfs/dbraw/zinc/86/15/67/563861567.db2.gz UZCJGOCLHPDXEA-KBPBESRZSA-N 1 0 389.297 2.625 20 0 GFADRO O=S(=O)(C[C@@H](O)C[NH2+]C1CC(c2cc(F)cc(F)c2)C1)c1cccs1 ZINC000368018318 563862153 /nfs/dbraw/zinc/86/21/53/563862153.db2.gz PADPHUYWOXEZQV-MOQPWLNLSA-N 1 0 387.473 2.697 20 0 GFADRO CC(C)(C)c1csc([C@H]2CN(C[C@H](O)COCC(F)(F)F)CCO2)n1 ZINC000368031354 563862162 /nfs/dbraw/zinc/86/21/62/563862162.db2.gz UTXGEKOZWIYTPF-NWDGAFQWSA-N 1 0 382.448 2.754 20 0 GFADRO COc1ccc([C@@H](C)NC(=O)N[C@H](CC[NH3+])C(F)F)cc1Br ZINC000416886703 563862589 /nfs/dbraw/zinc/86/25/89/563862589.db2.gz HCLWHHPWNBARLA-LDYMZIIASA-N 1 0 380.233 2.800 20 0 GFADRO COc1ccc(Br)c(CNC(=O)[C@]2([NH3+])[C@H]3CCCO[C@H]3C2(C)C)c1 ZINC000446386810 563863306 /nfs/dbraw/zinc/86/33/06/563863306.db2.gz RWPXQDOVGIVSTB-JCKWVBRZSA-N 1 0 397.313 2.606 20 0 GFADRO [NH3+][C@@H]1CCC[C@H](NC(=O)[C@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)C1 ZINC000446406116 563863921 /nfs/dbraw/zinc/86/39/21/563863921.db2.gz OMZYXJVGURDZRO-DVOMOZLQSA-N 1 0 384.307 2.984 20 0 GFADRO O=C(N1CC[C@@H]2[NH2+]CC[C@H]2C1)C1(c2ccc(Br)cc2)CCOCC1 ZINC000368168238 563865460 /nfs/dbraw/zinc/86/54/60/563865460.db2.gz SFFDHGWKUWEGKL-YOEHRIQHSA-N 1 0 393.325 2.708 20 0 GFADRO O=C(c1cc(COc2c(Cl)cccc2Cl)on1)N1CC[C@H]2C[NH2+]C[C@H]21 ZINC000368178820 563865641 /nfs/dbraw/zinc/86/56/41/563865641.db2.gz LRXXADFXFBWIMC-ZUZCIYMTSA-N 1 0 382.247 2.994 20 0 GFADRO C[C@H](Cc1ccc(Br)cc1)NC(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000417110627 563868235 /nfs/dbraw/zinc/86/82/35/563868235.db2.gz YZZAEOOGNIGQDG-ZWNOBZJWSA-N 1 0 376.245 2.677 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)NCCc2cccc(Cl)c2Cl)CC12CCOCC2 ZINC000417125871 563868548 /nfs/dbraw/zinc/86/85/48/563868548.db2.gz GBNSJJCTXHBSGL-AWEZNQCLSA-N 1 0 386.323 2.933 20 0 GFADRO CCOC1CC(O)(C[NH2+][C@@H](C)CC(=O)Nc2ccc(Br)cc2)C1 ZINC000446834452 563869175 /nfs/dbraw/zinc/86/91/75/563869175.db2.gz XEZYDIGRCCOLKC-VWDMACCTSA-N 1 0 385.302 2.686 20 0 GFADRO C[NH2+][C@H]1CCCN(C(=O)N[C@H](C)c2cc3c(cc2Br)OCCO3)C1 ZINC000417171355 563869978 /nfs/dbraw/zinc/86/99/78/563869978.db2.gz DUHVVRYZOLCLLW-NEPJUHHUSA-N 1 0 398.301 2.675 20 0 GFADRO CCOC(=O)[C@](C)(O)C[NH2+][C@H](c1cc(Cl)ccc1Cl)[C@H]1CCOC1 ZINC000368432363 563870697 /nfs/dbraw/zinc/87/06/97/563870697.db2.gz BPTXMLNGEGQRNW-XNJJOIOASA-N 1 0 376.280 2.975 20 0 GFADRO C[C@@H](NC(=O)NC1(C)CC[NH2+]CC1)c1cc2c(cc1Br)OCCO2 ZINC000417182968 563871342 /nfs/dbraw/zinc/87/13/42/563871342.db2.gz RCHZMAHAFLFSKL-LLVKDONJSA-N 1 0 398.301 2.723 20 0 GFADRO COc1ccc(Br)c(CC(=O)N2CCN[C@H](c3cccnc3)C2)c1 ZINC000368521794 563872888 /nfs/dbraw/zinc/87/28/88/563872888.db2.gz IQQVMICNPCJYCH-KRWDZBQOSA-N 1 0 390.281 2.568 20 0 GFADRO CS(=O)(=O)c1ccc(CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1C(F)(F)F ZINC000447062706 563873609 /nfs/dbraw/zinc/87/36/09/563873609.db2.gz CUZDLIXNYQKCAI-KGLIPLIRSA-N 1 0 376.444 2.825 20 0 GFADRO C[C@H]1CCN(C(=O)NCCC(=O)Nc2ccc(Br)cc2)[C@H](C[NH3+])C1 ZINC000417225285 563874327 /nfs/dbraw/zinc/87/43/27/563874327.db2.gz NOCVISQYLOWRQZ-WFASDCNBSA-N 1 0 397.317 2.547 20 0 GFADRO Cc1c(I)cccc1C(=O)N1CC[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000368591163 563874776 /nfs/dbraw/zinc/87/47/76/563874776.db2.gz LULNWICLZNCEQJ-SWLSCSKDSA-N 1 0 384.261 2.766 20 0 GFADRO Cc1cc(Br)cn2c(CN3CCC(c4nnc[nH]4)CC3)cnc12 ZINC000368611062 563875279 /nfs/dbraw/zinc/87/52/79/563875279.db2.gz FJSCUEJGGFHZKS-UHFFFAOYSA-N 1 0 375.274 2.903 20 0 GFADRO CC(C)[C@@H]([NH3+])CNC(=O)NC[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000417260083 563875399 /nfs/dbraw/zinc/87/53/99/563875399.db2.gz IIYDIXTVTNUNDC-BBRMVZONSA-N 1 0 383.334 2.558 20 0 GFADRO [NH3+]CC[C@@H](NC(=O)NCC1(c2ccc(Cl)cc2)CCOCC1)C(F)F ZINC000417254321 563875422 /nfs/dbraw/zinc/87/54/22/563875422.db2.gz NBTPUWXNSMEFSX-CQSZACIVSA-N 1 0 375.847 2.670 20 0 GFADRO C[C@H](NC(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1)c1cc(Cl)ccc1Cl ZINC000417367566 563878718 /nfs/dbraw/zinc/87/87/18/563878718.db2.gz NYWFEEUOLSZVTO-NWDGAFQWSA-N 1 0 387.311 2.551 20 0 GFADRO O=C(NCC[C@H]1CCC[NH2+]1)NCc1cc(Br)ccc1OC(F)F ZINC000417407055 563879195 /nfs/dbraw/zinc/87/91/95/563879195.db2.gz LXHAEZLPWVHHMI-GFCCVEGCSA-N 1 0 392.244 2.992 20 0 GFADRO Cc1cn2c(n1)CC[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(Br)cc1)C2 ZINC000368844667 563879896 /nfs/dbraw/zinc/87/98/96/563879896.db2.gz HVUCOXCDRDCABS-SWLSCSKDSA-N 1 0 377.286 2.886 20 0 GFADRO C[C@H]([NH3+])[C@H](C)NC(=O)NCC1(c2ccc(Br)cc2)CCOCC1 ZINC000417427188 563880091 /nfs/dbraw/zinc/88/00/91/563880091.db2.gz IMNBUZYLTFRDTD-STQMWFEESA-N 1 0 384.318 2.532 20 0 GFADRO C[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000417429488 563880248 /nfs/dbraw/zinc/88/02/48/563880248.db2.gz VNNUYKPSXMLQBN-CJNGLKHVSA-N 1 0 385.339 2.614 20 0 GFADRO CCC([NH3+])(CC)CNC(=O)N[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000417476700 563880774 /nfs/dbraw/zinc/88/07/74/563880774.db2.gz FBAVDWGMCYMTJB-CQSZACIVSA-N 1 0 383.334 2.845 20 0 GFADRO [NH3+]CC[C@H]1CCCN(C(=O)N[C@H]2CCN(c3ccc(Br)cc3)C2)C1 ZINC000417485673 563880866 /nfs/dbraw/zinc/88/08/66/563880866.db2.gz WYANWTXPOJIYMA-ZBFHGGJFSA-N 1 0 395.345 2.798 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000417485667 563881041 /nfs/dbraw/zinc/88/10/41/563881041.db2.gz LQSDVENZJYNFSU-ZIAGYGMSSA-N 1 0 397.317 2.655 20 0 GFADRO Cc1ncsc1CN(C[C@@H]1CC[NH2+]C1)C(=O)CSCc1cccnc1 ZINC000447443701 563881786 /nfs/dbraw/zinc/88/17/86/563881786.db2.gz UANFPTGLGQXOAZ-OAHLLOKOSA-N 1 0 376.551 2.718 20 0 GFADRO COc1ccc(Br)cc1C(=O)CCC(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000447518483 563883039 /nfs/dbraw/zinc/88/30/39/563883039.db2.gz WHRNJDKGHQMBID-DGCLKSJQSA-N 1 0 383.286 2.677 20 0 GFADRO [NH3+]C[C@H](NC(=O)N[C@@H]1CCN(c2ccccc2Br)C1)C1CCCC1 ZINC000417602474 563886334 /nfs/dbraw/zinc/88/63/34/563886334.db2.gz OGZGTLSKQQMLFU-ZBFHGGJFSA-N 1 0 395.345 2.845 20 0 GFADRO [NH3+]CC[C@H](NC(=O)NCCCc1ccc(Br)cc1F)C(F)F ZINC000417684501 563887625 /nfs/dbraw/zinc/88/76/25/563887625.db2.gz WPZMEHOUYKVDGK-LBPRGKRZSA-N 1 0 382.224 2.803 20 0 GFADRO C[C@H](CNC(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1)Oc1ccc(Br)cc1 ZINC000417772218 563888507 /nfs/dbraw/zinc/88/85/07/563888507.db2.gz HMCSWKCUIUEYQQ-MJBXVCDLSA-N 1 0 384.318 2.843 20 0 GFADRO CC[NH+]1CCC(CCNS(=O)(=O)c2ccc(OC(F)F)c(F)c2)CC1 ZINC000447875433 563889391 /nfs/dbraw/zinc/88/93/91/563889391.db2.gz QZRIGGBTECUBAO-UHFFFAOYSA-N 1 0 380.432 2.827 20 0 GFADRO CC[C@H](NC(=O)N1CC[C@H](OC)C[C@@H]1C[NH3+])c1nc(C(F)(F)F)cs1 ZINC000417787989 563889331 /nfs/dbraw/zinc/88/93/31/563889331.db2.gz SOEKOCNDGCJEAE-VWYCJHECSA-N 1 0 380.436 2.761 20 0 GFADRO C[C@@H](CNC(=O)NCC1(C)CC[NH2+]CC1)Oc1ccc(Br)cc1 ZINC000417776865 563889370 /nfs/dbraw/zinc/88/93/70/563889370.db2.gz QPFZNCJIVVJEAJ-ZDUSSCGKSA-N 1 0 384.318 2.905 20 0 GFADRO CCCN(C(=O)NC[C@@H](C)Oc1ccccc1Br)[C@H]1CC[NH2+]C1 ZINC000417820314 563889720 /nfs/dbraw/zinc/88/97/20/563889720.db2.gz HGWRHAZZCYJTAU-KGLIPLIRSA-N 1 0 384.318 3.000 20 0 GFADRO C[NH2+]C[C@@H]1CCCN(C(=O)NC[C@@H](C)Oc2ccccc2Br)C1 ZINC000417823962 563889724 /nfs/dbraw/zinc/88/97/24/563889724.db2.gz LHHXAAWIZRSURH-KGLIPLIRSA-N 1 0 384.318 2.857 20 0 GFADRO O=C(NCCCc1ccc(Cl)cc1Cl)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000417806865 563889926 /nfs/dbraw/zinc/88/99/26/563889926.db2.gz BRLOIJWIWNMMQN-MRXNPFEDSA-N 1 0 385.339 2.615 20 0 GFADRO CC[C@H](Cc1ccccc1Br)NC(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000417879654 563890302 /nfs/dbraw/zinc/89/03/02/563890302.db2.gz FKETZLLMDLZHLA-HUUCEWRRSA-N 1 0 384.318 2.529 20 0 GFADRO C[C@H](NC(=O)[C@H](C)[NH2+][C@H](CO)[C@@H]1CCCO1)c1ccc(Cl)cc1Cl ZINC000447917434 563890734 /nfs/dbraw/zinc/89/07/34/563890734.db2.gz XUNBMFQTJAKNGW-QMMBQJITSA-N 1 0 375.296 2.689 20 0 GFADRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNS(=O)(=O)c1ccc(F)cc1Br ZINC000447933353 563891184 /nfs/dbraw/zinc/89/11/84/563891184.db2.gz TWOMMOGYVFSDIU-AWEZNQCLSA-N 1 0 393.322 2.987 20 0 GFADRO Cc1nn(C)c(C[NH2+]CCCc2nnc3n2CCCCC3)c1Br ZINC000447945034 563892027 /nfs/dbraw/zinc/89/20/27/563892027.db2.gz UWJCYNGYAADLJO-UHFFFAOYSA-N 1 0 381.322 2.531 20 0 GFADRO Fc1ccc(C[NH2+]CCCOC[C@@H]2CCOC2)c(I)c1 ZINC000417952318 563892281 /nfs/dbraw/zinc/89/22/81/563892281.db2.gz ZXFXMNOEXOXKDH-LBPRGKRZSA-N 1 0 393.240 2.963 20 0 GFADRO O=S1(=O)CC[C@H]([NH2+]C2CCN(CCc3cc(Cl)cc(Cl)c3)CC2)C1 ZINC000369333786 563892427 /nfs/dbraw/zinc/89/24/27/563892427.db2.gz GPURKVMKXROPMP-KRWDZBQOSA-N 1 0 391.364 2.777 20 0 GFADRO [NH3+][C@@H](CNC(=O)NCCCOc1ncc(C(F)(F)F)cc1Cl)C1CC1 ZINC000417956358 563892996 /nfs/dbraw/zinc/89/29/96/563892996.db2.gz IEPBIJSDHKLTKE-LBPRGKRZSA-N 1 0 380.798 2.559 20 0 GFADRO O=C(NCCCOc1ncc(C(F)(F)F)cc1Cl)N1CCC[NH2+]CC1 ZINC000417965880 563893029 /nfs/dbraw/zinc/89/30/29/563893029.db2.gz SASASTKESAXICU-UHFFFAOYSA-N 1 0 380.798 2.528 20 0 GFADRO CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)N1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000417985492 563893394 /nfs/dbraw/zinc/89/33/94/563893394.db2.gz NGEFLCGXIRRGSM-APYUEPQZSA-N 1 0 384.318 2.904 20 0 GFADRO C[NH2+]C[C@@H]1CCCN1C(=O)N[C@H](C)[C@H](OC)c1ccc(Br)cc1 ZINC000417980171 563893576 /nfs/dbraw/zinc/89/35/76/563893576.db2.gz IFHFGZLVTKJXAS-KCXAZCMYSA-N 1 0 384.318 2.919 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)N[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)CC[NH2+]1 ZINC000417977489 563893607 /nfs/dbraw/zinc/89/36/07/563893607.db2.gz CBWJEQBHQYJNEU-ZETOZRRWSA-N 1 0 385.295 2.538 20 0 GFADRO [NH3+]CCN(CCO)C(=O)N[C@H](c1ccc(Cl)c(C(F)(F)F)c1)C1CC1 ZINC000417977729 563893637 /nfs/dbraw/zinc/89/36/37/563893637.db2.gz GHJXNGBQJVDBOL-AWEZNQCLSA-N 1 0 379.810 2.773 20 0 GFADRO CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000417985498 563893667 /nfs/dbraw/zinc/89/36/67/563893667.db2.gz NGEFLCGXIRRGSM-RKLWJJNISA-N 1 0 384.318 2.904 20 0 GFADRO CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000417981528 563893676 /nfs/dbraw/zinc/89/36/76/563893676.db2.gz JZHNFNRPYNMUBB-NUTKFTJISA-N 1 0 384.318 2.905 20 0 GFADRO C[NH2+][C@H]1CCCN(C(=O)NCCc2c[nH]c3ccc(Br)cc23)C1 ZINC000417998656 563894106 /nfs/dbraw/zinc/89/41/06/563894106.db2.gz HISOGJHNYHEAAQ-AWEZNQCLSA-N 1 0 379.302 2.866 20 0 GFADRO Cc1cc(Br)cn2cc(CNC(=O)N[C@H](C[NH3+])CC(C)C)nc12 ZINC000418020666 563895624 /nfs/dbraw/zinc/89/56/24/563895624.db2.gz NPDQFMJMAFOCIB-ZDUSSCGKSA-N 1 0 382.306 2.578 20 0 GFADRO Cc1cc(Br)cn2cc(CNC(=O)N[C@H](C)CCCC[NH3+])nc12 ZINC000418019130 563895682 /nfs/dbraw/zinc/89/56/82/563895682.db2.gz KFXLPOYCUDGUOY-GFCCVEGCSA-N 1 0 382.306 2.722 20 0 GFADRO Cc1cc(Br)cn2cc(CNC(=O)N(C)CC[C@@H]([NH3+])C(C)C)nc12 ZINC000418023702 563895992 /nfs/dbraw/zinc/89/59/92/563895992.db2.gz MHSVQUSTGQBZCY-OAHLLOKOSA-N 1 0 396.333 2.920 20 0 GFADRO CCCOC[C@@H](Cc1cccc(Br)c1)NC(=O)N(C)CC[NH2+]C ZINC000418032819 563896346 /nfs/dbraw/zinc/89/63/46/563896346.db2.gz QLIBVTZENUQRMV-MRXNPFEDSA-N 1 0 386.334 2.648 20 0 GFADRO C[NH2+]C[C@H](C)CNC(=O)NCc1cc(Br)ccc1Br ZINC000418044132 563896833 /nfs/dbraw/zinc/89/68/33/563896833.db2.gz MAXTWTLWFKLXDE-VIFPVBQESA-N 1 0 393.123 2.866 20 0 GFADRO [NH3+]C[C@H]1CCCCN1C(=O)N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000418056329 563896969 /nfs/dbraw/zinc/89/69/69/563896969.db2.gz CNOOKIYDPINWSN-OCCSQVGLSA-N 1 0 385.295 2.622 20 0 GFADRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)Nc1ccc(Br)c(Cl)c1 ZINC000448512278 563897763 /nfs/dbraw/zinc/89/77/63/563897763.db2.gz YVMUPNXWSMBDLB-SNVBAGLBSA-N 1 0 390.709 2.888 20 0 GFADRO O=C(N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000418081080 563897857 /nfs/dbraw/zinc/89/78/57/563897857.db2.gz NISOPOWPMBZSEK-KSSFIOAISA-N 1 0 383.323 2.967 20 0 GFADRO Cc1ccc(CC(=O)N2CCN(CC[NH+]3CCCC3)CC2)c(Br)c1 ZINC000448604005 563898488 /nfs/dbraw/zinc/89/84/88/563898488.db2.gz BUTBCFRJWISHQP-UHFFFAOYSA-N 1 0 394.357 2.540 20 0 GFADRO C[C@H]1CN(C(=O)NCc2cnn(-c3ccc(Br)cc3)c2)CC[C@H]1[NH3+] ZINC000418090237 563898642 /nfs/dbraw/zinc/89/86/42/563898642.db2.gz NLKJZLWGVQYUOX-BLLLJJGKSA-N 1 0 392.301 2.514 20 0 GFADRO C[C@H](CCc1ccc(I)cc1)NC(=O)N[C@H](C)[C@H](C)[NH3+] ZINC000418119137 563899409 /nfs/dbraw/zinc/89/94/09/563899409.db2.gz XGUDMYBKMLVNLJ-GRYCIOLGSA-N 1 0 389.281 2.647 20 0 GFADRO CCn1cncc1C[NH2+]C[C@H](CO)Cc1ccc(OC)c(Br)c1 ZINC000418118435 563899511 /nfs/dbraw/zinc/89/95/11/563899511.db2.gz SYOTYVWGMIVQBN-CQSZACIVSA-N 1 0 382.302 2.615 20 0 GFADRO CC[C@@H](NC(=O)N1CCCO[C@@H](C[NH3+])C1)c1cc(F)cc(Br)c1 ZINC000418143311 563899865 /nfs/dbraw/zinc/89/98/65/563899865.db2.gz LVQSMSUOPXUXTA-LSDHHAIUSA-N 1 0 388.281 2.799 20 0 GFADRO [NH3+]CC[C@@H](NC(=O)N[C@H]1CCOc2c(Br)cccc21)C(F)F ZINC000418168302 563900308 /nfs/dbraw/zinc/90/03/08/563900308.db2.gz WPZKWVMWFUCQJO-WDEREUQCSA-N 1 0 378.217 2.554 20 0 GFADRO C[NH2+]CCNC(=O)N[C@@H]1CCCN(c2c(C)cc(Br)cc2C)C1 ZINC000418173767 563900829 /nfs/dbraw/zinc/90/08/29/563900829.db2.gz COYOOPSJGOJMAR-OAHLLOKOSA-N 1 0 383.334 2.553 20 0 GFADRO COCC[N@@H+]1CCCN(C(=O)c2cc3c(ccc(F)c3Br)[nH]2)CC1 ZINC000448791316 563901337 /nfs/dbraw/zinc/90/13/37/563901337.db2.gz FCXPNEAVUFGYRX-UHFFFAOYSA-N 1 0 398.276 2.864 20 0 GFADRO O=C(c1ccccc1-n1cc(Br)cn1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000448810643 563901586 /nfs/dbraw/zinc/90/15/86/563901586.db2.gz ISJYNHZMFFLZFE-HNNXBMFYSA-N 1 0 389.297 2.945 20 0 GFADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)CCc1cccc(F)c1Br ZINC000448910902 563903172 /nfs/dbraw/zinc/90/31/72/563903172.db2.gz OWVCPNGITPWTAJ-AWEZNQCLSA-N 1 0 387.293 2.748 20 0 GFADRO COc1cc(Br)c(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC3)C2)cc1OC ZINC000448962113 563904217 /nfs/dbraw/zinc/90/42/17/563904217.db2.gz PALZMHGBYYSFEZ-GFCCVEGCSA-N 1 0 383.286 2.775 20 0 GFADRO Cc1ccc(Br)cc1CC(=O)NC[C@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000448972807 563904369 /nfs/dbraw/zinc/90/43/69/563904369.db2.gz VVFFAGZOXVRIDM-GOSISDBHSA-N 1 0 396.373 2.688 20 0 GFADRO Cc1ccc(Br)cc1CC(=O)NCC1CC[NH+](CCN(C)C)CC1 ZINC000448975025 563904460 /nfs/dbraw/zinc/90/44/60/563904460.db2.gz FQRKDWKKPOHQLZ-UHFFFAOYSA-N 1 0 396.373 2.690 20 0 GFADRO CCN1CC[NH+](CCCCNC(=O)Cc2cc(Br)ccc2C)CC1 ZINC000448976926 563904464 /nfs/dbraw/zinc/90/44/64/563904464.db2.gz WDKFGCLEEBGHFQ-UHFFFAOYSA-N 1 0 396.373 2.834 20 0 GFADRO CCN1CC[NH+](C[C@H](C)CNC(=O)Cc2ccc(C)cc2Br)CC1 ZINC000448975986 563904479 /nfs/dbraw/zinc/90/44/79/563904479.db2.gz KROGKXHXGUGCAL-MRXNPFEDSA-N 1 0 396.373 2.690 20 0 GFADRO CCS(=O)(=O)N(C)CCC[NH2+]Cc1cnc(-c2c(F)cccc2F)s1 ZINC000449079248 563906299 /nfs/dbraw/zinc/90/62/99/563906299.db2.gz NYKOVLCFYGJGOM-UHFFFAOYSA-N 1 0 389.493 2.850 20 0 GFADRO CCn1nnc(C)c1C[NH2+]C[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000449094748 563906326 /nfs/dbraw/zinc/90/63/26/563906326.db2.gz TXVZYHLJTXSKSE-CQSZACIVSA-N 1 0 378.318 2.985 20 0 GFADRO C[C@@H](C[NH2+]C[C@@H]1CCN(CC(F)(F)F)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000449091340 563906420 /nfs/dbraw/zinc/90/64/20/563906420.db2.gz PYKGBMOXIKKLIO-KBPBESRZSA-N 1 0 378.460 2.667 20 0 GFADRO NC(=O)[C@H]1CCCN1CCC[NH2+]C1CC(c2ccc(Br)cc2F)C1 ZINC000449121587 563906943 /nfs/dbraw/zinc/90/69/43/563906943.db2.gz ICIFOKSIHSKYBQ-MKTAYPAQSA-N 1 0 398.320 2.764 20 0 GFADRO C[C@@H](COc1ccc(Cl)c(Cl)c1)[NH2+]C[C@H]1CCCN1S(C)(=O)=O ZINC000449214639 563908209 /nfs/dbraw/zinc/90/82/09/563908209.db2.gz LVEARXCUBXPYHD-NWDGAFQWSA-N 1 0 381.325 2.774 20 0 GFADRO CS(=O)(=O)c1cccc(C[NH2+]CCN2CCc3c(Cl)cccc3C2)c1 ZINC000449271209 564178495 /nfs/dbraw/zinc/17/84/95/564178495.db2.gz SDAGZJYEKSEVLD-UHFFFAOYSA-N 1 0 378.925 2.891 20 0 GFADRO CCS(=O)(=O)C[C@H](C)[NH2+][C@@H](C)CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000537979901 564179228 /nfs/dbraw/zinc/17/92/28/564179228.db2.gz AIZQJWFCELJNTB-RYUDHWBXSA-N 1 0 380.432 2.835 20 0 GFADRO COC(=O)COC[C@@H](C)[NH2+]Cc1ccc(I)cc1Cl ZINC000449304772 564179298 /nfs/dbraw/zinc/17/92/98/564179298.db2.gz ZXMSXWJFFIRDKT-SECBINFHSA-N 1 0 397.640 2.612 20 0 GFADRO COCCN1CCC([NH2+]Cc2cc(Br)c(OC)c(OC)c2)CC1 ZINC000537975856 564179478 /nfs/dbraw/zinc/17/94/78/564179478.db2.gz DLAWNCWPONPBIC-UHFFFAOYSA-N 1 0 387.318 2.667 20 0 GFADRO Cn1nccc1N1CCC[C@@H]([NH2+]Cc2ccc(I)cc2)C1 ZINC000449287426 564179568 /nfs/dbraw/zinc/17/95/68/564179568.db2.gz KNKOLULSOSLEIL-OAHLLOKOSA-N 1 0 396.276 2.783 20 0 GFADRO CS(=O)(=O)NC[C@H]1CCC[C@@H]1[NH2+]Cc1cnc(-c2ccccc2F)s1 ZINC000449305450 564179645 /nfs/dbraw/zinc/17/96/45/564179645.db2.gz GMXIJGIVNXZBTH-WBMJQRKESA-N 1 0 383.514 2.757 20 0 GFADRO CO[C@H](CCNC(=O)[C@@H]1C[N@@H+](C(C)(C)C)C[C@H]1C(F)(F)F)C(F)(F)F ZINC000505282679 564180312 /nfs/dbraw/zinc/18/03/12/564180312.db2.gz CRVPFPJCPJQNAD-GMTAPVOTSA-N 1 0 378.357 2.979 20 0 GFADRO CS(=O)(=O)N[C@@H]1CCCC[C@H]1C[NH2+]Cc1cccc(Br)c1F ZINC000449321174 564180510 /nfs/dbraw/zinc/18/05/10/564180510.db2.gz KZUBKXSDJSDEDF-SMDDNHRTSA-N 1 0 393.322 2.786 20 0 GFADRO CS(=O)(=O)N1CCCC[C@H]1C[NH2+]Cc1cnc(-c2ccccc2F)s1 ZINC000449322995 564180516 /nfs/dbraw/zinc/18/05/16/564180516.db2.gz QXFRCFVHUNMRCV-ZDUSSCGKSA-N 1 0 383.514 2.853 20 0 GFADRO O=C(NCC[NH+]1CCC1)c1cccn1-c1ccc(I)cc1 ZINC000505405132 564182032 /nfs/dbraw/zinc/18/20/32/564182032.db2.gz MQOLHYPJZAODSG-UHFFFAOYSA-N 1 0 395.244 2.517 20 0 GFADRO C[C@@H]([NH2+]CCCc1nc2c(s1)CCCC2)c1cccc(S(N)(=O)=O)c1 ZINC000538099121 564182721 /nfs/dbraw/zinc/18/27/21/564182721.db2.gz RBZNFPMATGACOI-CYBMUJFWSA-N 1 0 379.551 2.953 20 0 GFADRO Cn1cnc2cc(C[NH2+]CCNC(=O)c3cccc(Br)c3)ccc21 ZINC000538118478 564182780 /nfs/dbraw/zinc/18/27/80/564182780.db2.gz GWGHDCLONKJYPL-UHFFFAOYSA-N 1 0 387.281 2.855 20 0 GFADRO O=c1ccc(Br)cn1CC[NH2+]C1CCN(CCC(F)(F)F)CC1 ZINC000449375852 564183223 /nfs/dbraw/zinc/18/32/23/564183223.db2.gz JPDNPGQPJKDORL-UHFFFAOYSA-N 1 0 396.251 2.617 20 0 GFADRO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]C[C@@H]1CCCCN1CCO ZINC000449388544 564183280 /nfs/dbraw/zinc/18/32/80/564183280.db2.gz AJLKWSJKPRKEOU-PBHICJAKSA-N 1 0 398.345 2.603 20 0 GFADRO CN(CCOc1ccc(Br)cc1)C(=O)C[N@@H+]1CCC[C@](C)(O)CC1 ZINC000471070550 564184486 /nfs/dbraw/zinc/18/44/86/564184486.db2.gz UVPZGJPXPWRTPB-SFHVURJKSA-N 1 0 399.329 2.523 20 0 GFADRO CNS(=O)(=O)c1cccc([C@H](C)[NH2+]Cc2cc3c(c(Cl)c2)OCO3)c1 ZINC000538199874 564184635 /nfs/dbraw/zinc/18/46/35/564184635.db2.gz JISQRADZVKSBMA-NSHDSACASA-N 1 0 382.869 2.828 20 0 GFADRO O=S1(=O)CC[C@@](O)(C[NH2+]Cc2ccc(-c3cccc(Cl)c3Cl)o2)C1 ZINC000449406906 564184927 /nfs/dbraw/zinc/18/49/27/564184927.db2.gz DLKUARXFKHTVAH-MRXNPFEDSA-N 1 0 390.288 2.893 20 0 GFADRO OCCC[N@@H+]1CCC[C@H](NCc2cn(-c3ccc(Cl)c(Cl)c3)nn2)C1 ZINC000449396766 564184980 /nfs/dbraw/zinc/18/49/80/564184980.db2.gz MWYLOFLCOCXLBL-ZDUSSCGKSA-N 1 0 384.311 2.511 20 0 GFADRO C[C@@H](c1ccc(S(C)(=O)=O)cc1)N1CCC([NH2+][C@@H]2CSC[C@H]2C)CC1 ZINC000449515855 564188890 /nfs/dbraw/zinc/18/88/90/564188890.db2.gz BXWPZSSNURHQTG-ZRGWGRIASA-N 1 0 382.595 2.957 20 0 GFADRO C[C@H](C(=O)N1CCO[C@H](c2ccc(F)c(Br)c2)C1)[NH+]1CC(C)C1 ZINC000563391294 564189264 /nfs/dbraw/zinc/18/92/64/564189264.db2.gz NRWZFGPINKJYCS-WBMJQRKESA-N 1 0 385.277 2.828 20 0 GFADRO COc1cc(C[NH2+][C@H](C)c2cncc(Br)c2)ccc1OCC(N)=O ZINC000563442998 564191490 /nfs/dbraw/zinc/19/14/90/564191490.db2.gz PTTNIWZHYPZIBV-LLVKDONJSA-N 1 0 394.269 2.568 20 0 GFADRO COCC[N@@H+]1CC[C@@H](NC(=O)NCCOCc2ccc(Cl)cc2Cl)C1 ZINC000538455458 564191818 /nfs/dbraw/zinc/19/18/18/564191818.db2.gz YJARGBJSTDZJRD-OAHLLOKOSA-N 1 0 390.311 2.530 20 0 GFADRO Cc1ccc(C[C@H](CO)C[NH2+]Cc2cnc(N(C)C)nc2)cc1Br ZINC000449602084 564192163 /nfs/dbraw/zinc/19/21/63/564192163.db2.gz STEFUDQWKLOTNV-HNNXBMFYSA-N 1 0 393.329 2.554 20 0 GFADRO [NH3+]C[C@@H]1CCCCN1C(=O)Nc1ccc(I)cc1F ZINC000563448860 564192227 /nfs/dbraw/zinc/19/22/27/564192227.db2.gz PXIUGQNUNRPMPU-JTQLQIEISA-N 1 0 377.201 2.775 20 0 GFADRO COC[C@]1(CNC(=O)Nc2ccc(Br)c(C3CC3)n2)CCC[NH2+]1 ZINC000563494441 564193021 /nfs/dbraw/zinc/19/30/21/564193021.db2.gz GVIVECRIVMBFLN-MRXNPFEDSA-N 1 0 383.290 2.612 20 0 GFADRO O=C(NCC[C@@H]1CC[NH2+]C1)Nc1nnc(-c2cccc(Br)c2)s1 ZINC000563482559 564193365 /nfs/dbraw/zinc/19/33/65/564193365.db2.gz DLTSGVMUUJWTDD-JTQLQIEISA-N 1 0 396.314 3.089 20 0 GFADRO COc1cc(C)c(Br)cc1C(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000506010947 564194019 /nfs/dbraw/zinc/19/40/19/564194019.db2.gz WPKCMEMSCXHJAN-AWEZNQCLSA-N 1 0 399.329 2.853 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C[N@@H+](CCO)[C@@H]1CCO[C@H]1C ZINC000449676562 564194746 /nfs/dbraw/zinc/19/47/46/564194746.db2.gz IBXZOMGXFXVULH-KBXCAEBGSA-N 1 0 394.313 2.915 20 0 GFADRO CCc1nocc1C[NH2+]C[C@@H](CO)Cc1cc(Br)ccc1OC ZINC000449677809 564194796 /nfs/dbraw/zinc/19/47/96/564194796.db2.gz CPXIRZJTPSTBEH-LBPRGKRZSA-N 1 0 383.286 2.949 20 0 GFADRO CCN1C[C@H](C)[C@H]([NH2+]C[C@H](CO)Cc2cc(Br)ccc2OC)C1 ZINC000449679273 564195647 /nfs/dbraw/zinc/19/56/47/564195647.db2.gz HTHXSUBIBWVFGN-JJRVBVJISA-N 1 0 385.346 2.539 20 0 GFADRO CCOc1cc(C[N@H+](CCO)[C@H]2CCO[C@@H]2C)cc(Br)c1OC ZINC000449678804 564195730 /nfs/dbraw/zinc/19/57/30/564195730.db2.gz QMOLGJLCEPRICP-DOMZBBRYSA-N 1 0 388.302 2.828 20 0 GFADRO CCOc1cc(C[N@H+](CCO)[C@@H]2CCO[C@H]2C)cc(Br)c1OC ZINC000449678808 564195794 /nfs/dbraw/zinc/19/57/94/564195794.db2.gz QMOLGJLCEPRICP-SWLSCSKDSA-N 1 0 388.302 2.828 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]CCC[C@H]1CCOC1 ZINC000449690360 564196862 /nfs/dbraw/zinc/19/68/62/564196862.db2.gz OXONMZDUPLBWPD-KBPBESRZSA-N 1 0 399.329 2.869 20 0 GFADRO CCn1nnc(C)c1C[NH2+]C[C@H](CO)Cc1cccc(Br)c1C ZINC000449685301 564197111 /nfs/dbraw/zinc/19/71/11/564197111.db2.gz SALUFVDWBDQMQS-CQSZACIVSA-N 1 0 381.318 2.618 20 0 GFADRO COc1c(Cl)cc(Cl)cc1CN1CC[NH+]([C@H]2CCNC(=O)CC2)CC1 ZINC000449704412 564197909 /nfs/dbraw/zinc/19/79/09/564197909.db2.gz VYXHIFSJZGSEOY-OAHLLOKOSA-N 1 0 386.323 2.788 20 0 GFADRO CC1(C)C[NH2+]CC[C@@H]1NC(=O)c1[nH]nc(-c2ccccc2)c1Br ZINC000449701451 564198106 /nfs/dbraw/zinc/19/81/06/564198106.db2.gz WLMOTTRWGTYPIA-LBPRGKRZSA-N 1 0 377.286 2.957 20 0 GFADRO O=C(NCCOc1ncc(Cl)cc1Cl)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000563585843 564198259 /nfs/dbraw/zinc/19/82/59/564198259.db2.gz PVWVBLLGHKEWKF-OAHLLOKOSA-N 1 0 387.311 2.941 20 0 GFADRO COC[C@@]1(CNC(=O)N[C@@H](C)c2ccc(Br)s2)CCC[NH2+]1 ZINC000563595784 564198382 /nfs/dbraw/zinc/19/83/82/564198382.db2.gz YDELREMADUCMIP-HZMBPMFUSA-N 1 0 376.320 2.639 20 0 GFADRO [NH3+]CC[C@H](NC(=O)C[C@H]1Sc2ccc(Cl)cc2NC1=O)C(F)(F)F ZINC000449720136 564198844 /nfs/dbraw/zinc/19/88/44/564198844.db2.gz MMTRYSKJAHSSCG-MNOVXSKESA-N 1 0 381.807 2.539 20 0 GFADRO CC1(C)[NH2+]CC[C@@H]1NC(=O)c1nn(-c2ccc(F)cc2)cc1Br ZINC000449748494 564199539 /nfs/dbraw/zinc/19/95/39/564199539.db2.gz BMSBQLNSQNXZMC-ZDUSSCGKSA-N 1 0 381.249 2.644 20 0 GFADRO C[C@H](CC[NH+](C)C)NS(=O)(=O)c1cc(Cl)c(Br)cc1F ZINC000471615471 564200345 /nfs/dbraw/zinc/20/03/45/564200345.db2.gz UAGSJSVNIYWVGX-MRVPVSSYSA-N 1 0 387.702 2.860 20 0 GFADRO C[NH+](C)[C@@]1(CNC(=O)N2CC[C@H](Oc3ccccc3Cl)C2)CCSC1 ZINC000506327759 564200742 /nfs/dbraw/zinc/20/07/42/564200742.db2.gz LRPDRPXMVXJTER-KBXCAEBGSA-N 1 0 383.945 2.940 20 0 GFADRO C[N@H+](CCOc1ccc(S(N)(=O)=O)cc1F)Cc1cc(F)cc(Cl)c1 ZINC000449754882 564201114 /nfs/dbraw/zinc/20/11/14/564201114.db2.gz MUZHIQNVFJNAIM-UHFFFAOYSA-N 1 0 390.839 2.776 20 0 GFADRO C[NH+](C)CCOCCNC(=O)NCC(C)(C)c1ccccc1Br ZINC000471654778 564201569 /nfs/dbraw/zinc/20/15/69/564201569.db2.gz FFTGJILFQGVPSF-UHFFFAOYSA-N 1 0 386.334 2.604 20 0 GFADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[N@@H+]1CC[C@@H](CCCO)C1 ZINC000449788193 564201922 /nfs/dbraw/zinc/20/19/22/564201922.db2.gz DBLUVAKFPDVXMP-ZIAGYGMSSA-N 1 0 399.329 2.557 20 0 GFADRO CC[NH+](CC)[C@H](C)CNC(=O)NCC(=O)Nc1ccc(Br)c(C)c1 ZINC000471769053 564204207 /nfs/dbraw/zinc/20/42/07/564204207.db2.gz JBVZRQZOFMVNTE-CYBMUJFWSA-N 1 0 399.333 2.726 20 0 GFADRO C[C@H](CNC(=O)[C@@H]1Cc2cc(Br)ccc2O1)C[NH+]1CCCCC1 ZINC000471779702 564204361 /nfs/dbraw/zinc/20/43/61/564204361.db2.gz JFLAWCATYGKAMN-DYVFJYSZSA-N 1 0 381.314 2.991 20 0 GFADRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1ccc(I)cc1 ZINC000563733282 564204640 /nfs/dbraw/zinc/20/46/40/564204640.db2.gz MPRYDLIENSXZNY-SWLSCSKDSA-N 1 0 384.261 2.990 20 0 GFADRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)c2c(Br)cnn2C)C1 ZINC000449862017 564206892 /nfs/dbraw/zinc/20/68/92/564206892.db2.gz URJSTZFQFHWKJG-UONOGXRCSA-N 1 0 383.334 2.909 20 0 GFADRO C[C@H]1c2cc(Cl)c(Cl)cc2CCN1C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000538977404 564207686 /nfs/dbraw/zinc/20/76/86/564207686.db2.gz RLYZWOHCHVPXRL-JSGCOSHPSA-N 1 0 385.339 2.868 20 0 GFADRO CSCC[C@H](CO)[NH2+][C@H](C)CC(=O)Nc1ccc(Br)cc1 ZINC000539065408 564208743 /nfs/dbraw/zinc/20/87/43/564208743.db2.gz ISGLNMPNIRYLRD-BXUZGUMPSA-N 1 0 375.332 2.870 20 0 GFADRO CCN(CC)C(=O)C[C@@H](C)[NH2+]Cc1cc(Br)c2c(c1)OCCO2 ZINC000539045991 564208853 /nfs/dbraw/zinc/20/88/53/564208853.db2.gz SWQTURTUXQPEQC-GFCCVEGCSA-N 1 0 385.302 2.957 20 0 GFADRO CC[C@@H]1CN(C(=O)Cc2sccc2Br)CC[N@@H+]1CCOC ZINC000449929607 564210080 /nfs/dbraw/zinc/21/00/80/564210080.db2.gz SPDCCSULAABXNC-GFCCVEGCSA-N 1 0 375.332 2.622 20 0 GFADRO CCS(=O)(=O)c1ccc(CNC(=O)NCCC[NH+](C(C)C)C(C)C)s1 ZINC000472003733 564210276 /nfs/dbraw/zinc/21/02/76/564210276.db2.gz VBROKKHMDMMKDX-UHFFFAOYSA-N 1 0 389.587 2.850 20 0 GFADRO CO[C@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC000539139367 564211321 /nfs/dbraw/zinc/21/13/21/564211321.db2.gz MFFHJNCKSAPIOY-CPUCHLNUSA-N 1 0 399.329 2.610 20 0 GFADRO O=C([C@H]1Cc2cc(Br)ccc2O1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000472102222 564212933 /nfs/dbraw/zinc/21/29/33/564212933.db2.gz PGSDWNCCLOZSJQ-DOTOQJQBSA-N 1 0 379.298 2.839 20 0 GFADRO CC[C@@H]1CN(C(=O)c2cc(Br)c(C)cc2C)CC[N@@H+]1C[C@H](C)O ZINC000450023102 564213220 /nfs/dbraw/zinc/21/32/20/564213220.db2.gz CVPIWNRSEXANNN-LSDHHAIUSA-N 1 0 383.330 2.983 20 0 GFADRO Cc1ccc(Br)cc1CC(=O)N(C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000450027785 564213593 /nfs/dbraw/zinc/21/35/93/564213593.db2.gz MCGQYTDDUIXCEO-OAHLLOKOSA-N 1 0 397.357 2.851 20 0 GFADRO CC[C@@H]1CN(C(=O)Cc2cc(Br)ccc2C)CC[N@@H+]1C[C@@H](C)O ZINC000450029758 564214816 /nfs/dbraw/zinc/21/48/16/564214816.db2.gz WOROBRCZGABDFA-RHSMWYFYSA-N 1 0 383.330 2.604 20 0 GFADRO CCOC(=O)CN(C)C(=O)C[NH2+][C@H](c1ccc(Br)cc1)C1CCC1 ZINC000539279676 564215664 /nfs/dbraw/zinc/21/56/64/564215664.db2.gz RWAJKJVLOFOKQH-SFHVURJKSA-N 1 0 397.313 2.901 20 0 GFADRO Cc1cc(Br)cc(C)c1S(=O)(=O)NCCC[NH+]1CCCC1 ZINC000507020016 564216046 /nfs/dbraw/zinc/21/60/46/564216046.db2.gz IVGJIJAYHODUIX-UHFFFAOYSA-N 1 0 375.332 2.830 20 0 GFADRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1cc(Cl)c(Br)cc1F ZINC000450235071 564222794 /nfs/dbraw/zinc/22/27/94/564222794.db2.gz WIQTUYQGXMXWDJ-SNVBAGLBSA-N 1 0 393.684 2.818 20 0 GFADRO CC(C)[NH+]1CCC(O)(CNC(=O)[C@@H](C)c2ccc(Br)s2)CC1 ZINC000472434825 564222801 /nfs/dbraw/zinc/22/28/01/564222801.db2.gz CZVWHHSSSASTIE-LBPRGKRZSA-N 1 0 389.359 2.966 20 0 GFADRO CC[NH+]1C[C@H](C)N(C(=O)Cc2ccccc2I)[C@@H](C)C1 ZINC000564163015 564223099 /nfs/dbraw/zinc/22/30/99/564223099.db2.gz AYJVIQMUMNMHHW-STQMWFEESA-N 1 0 386.277 2.775 20 0 GFADRO CCCC[N@H+](C)C[C@H](C)NC(=O)C(=O)Nc1cccc(Br)c1C ZINC000564186140 564223705 /nfs/dbraw/zinc/22/37/05/564223705.db2.gz XXHXJCNICOSLKJ-LBPRGKRZSA-N 1 0 384.318 2.933 20 0 GFADRO Cc1ccc(Br)cc1C[N@@H+]1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000450241116 564223873 /nfs/dbraw/zinc/22/38/73/564223873.db2.gz IDKAICWBWWUFOH-HNNXBMFYSA-N 1 0 381.314 2.828 20 0 GFADRO O=C(NCCCC[N@H+]1CCC[C@H]1CO)[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000450245492 564224136 /nfs/dbraw/zinc/22/41/36/564224136.db2.gz RLVBXNWUDHVYBJ-OKZBNKHCSA-N 1 0 395.341 2.906 20 0 GFADRO C[C@H]1CN(C(=O)c2ccsc2Br)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000450312482 564226912 /nfs/dbraw/zinc/22/69/12/564226912.db2.gz HSPFPFQGKIONOZ-JSGCOSHPSA-N 1 0 386.359 2.609 20 0 GFADRO CC[N@@H+]1CCC[C@H](CNC(=O)NCCOc2ncc(Cl)cc2Cl)C1 ZINC000507392277 564227701 /nfs/dbraw/zinc/22/77/01/564227701.db2.gz RJWMINAOYZXUSU-GFCCVEGCSA-N 1 0 375.300 2.798 20 0 GFADRO CN(CC[NH+](C)C)S(=O)(=O)c1cc(Br)c(Cl)cc1Cl ZINC000472586278 564227844 /nfs/dbraw/zinc/22/78/44/564227844.db2.gz ODJQILJALFIXIG-UHFFFAOYSA-N 1 0 390.130 2.938 20 0 GFADRO CC(C)OC[C@H](CO)[N@H+](C)Cc1cc(Br)c2c(c1)OCCCO2 ZINC000564324512 564228829 /nfs/dbraw/zinc/22/88/29/564228829.db2.gz HJTCFCZUOSUDSY-AWEZNQCLSA-N 1 0 388.302 2.828 20 0 GFADRO Oc1cccc2c1C[C@@H]([NH2+]Cc1cn(-c3ccccc3Br)nn1)C2 ZINC000564415315 564234006 /nfs/dbraw/zinc/23/40/06/564234006.db2.gz NKUZUYCDTKHQAI-ZDUSSCGKSA-N 1 0 385.265 2.992 20 0 GFADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)NCc1cc(Cl)sc1Cl ZINC000472784106 564233991 /nfs/dbraw/zinc/23/39/91/564233991.db2.gz FMAXBHHDWYEBGI-LLVKDONJSA-N 1 0 379.357 2.880 20 0 GFADRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)C(=O)Nc1ccc(Br)c(F)c1 ZINC000507624923 564235146 /nfs/dbraw/zinc/23/51/46/564235146.db2.gz MOZBMGNSBDAYEJ-YPMHNXCESA-N 1 0 398.276 2.612 20 0 GFADRO Cc1cn2c(n1)[C@@H](C[NH2+]C[C@H](O)COc1cccc(Br)c1)CCC2 ZINC000564564447 564239455 /nfs/dbraw/zinc/23/94/55/564239455.db2.gz PAOKGRSKRNJGCC-ZBFHGGJFSA-N 1 0 394.313 2.861 20 0 GFADRO CS[C@@H]1CN(C(=O)CCOc2ccccc2Br)C[C@H]1[NH+](C)C ZINC000540126115 564239872 /nfs/dbraw/zinc/23/98/72/564239872.db2.gz KELPZSCVBUDEPK-UKRRQHHQSA-N 1 0 387.343 2.722 20 0 GFADRO CNS(=O)(=O)c1cccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc(C)s2)c1 ZINC000540175634 564240654 /nfs/dbraw/zinc/24/06/54/564240654.db2.gz TXDZRGGCAQLCME-QWHCGFSZSA-N 1 0 381.523 2.642 20 0 GFADRO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)c1cc(Br)cnc1OCC1CC1 ZINC000507741230 564242209 /nfs/dbraw/zinc/24/22/09/564242209.db2.gz QEMKNUOBQWSDLU-CYBMUJFWSA-N 1 0 394.313 2.847 20 0 GFADRO C[NH+](C)CCn1nccc1NC(=O)N[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000564635726 564242709 /nfs/dbraw/zinc/24/27/09/564242709.db2.gz GHKQUAQVQMCIJI-LSDHHAIUSA-N 1 0 392.301 2.885 20 0 GFADRO COCC[C@H](Cc1cccc(Br)c1)C(=O)N1CC[NH+]2CCC1CC2 ZINC000507861853 564244930 /nfs/dbraw/zinc/24/49/30/564244930.db2.gz SGYIFZIHITWFHS-MRXNPFEDSA-N 1 0 395.341 2.951 20 0 GFADRO C[C@@H](O)C[N@@H+]1CCN(C(=O)CCCOc2ccccc2Br)[C@H](C)C1 ZINC000473362773 564245436 /nfs/dbraw/zinc/24/54/36/564245436.db2.gz AMEOQXBAMNBOEZ-HUUCEWRRSA-N 1 0 399.329 2.522 20 0 GFADRO CC(C)[C@H]1C[N@H+](C)CCN1Cc1cn(-c2ccccc2Br)nn1 ZINC000564693690 564245660 /nfs/dbraw/zinc/24/56/60/564245660.db2.gz XKVYEGBDLIBCRS-QGZVFWFLSA-N 1 0 378.318 2.802 20 0 GFADRO C[C@@H](CC[NH+](C)C)NC(=O)N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000473430353 564247081 /nfs/dbraw/zinc/24/70/81/564247081.db2.gz QHFRNGUBRMYINO-SMDDNHRTSA-N 1 0 387.311 2.738 20 0 GFADRO CC[C@@H]([NH2+]CC(=O)Nc1ccccc1Cl)c1cccc(S(N)(=O)=O)c1 ZINC000540464389 564248637 /nfs/dbraw/zinc/24/86/37/564248637.db2.gz SIOXJZLFRUNPLX-OAHLLOKOSA-N 1 0 381.885 2.667 20 0 GFADRO O=S1(=O)CCC[C@@H]([NH2+]Cc2ccc(OC(F)F)c(Br)c2)C1 ZINC000507947677 564249065 /nfs/dbraw/zinc/24/90/65/564249065.db2.gz FDWVKVZWSHELRG-SNVBAGLBSA-N 1 0 384.242 2.717 20 0 GFADRO CCC[NH+]1CCN(c2nnc(-c3ccc(F)cc3Br)n2C)CC1 ZINC000507936821 564249302 /nfs/dbraw/zinc/24/93/02/564249302.db2.gz BVUSBIAOBUHKSZ-UHFFFAOYSA-N 1 0 382.281 2.916 20 0 GFADRO Cc1cc2c(o1)c(C(=O)N[C@@H](C)CN1CC[NH+](C)CC1)ccc2Br ZINC000473573415 564249740 /nfs/dbraw/zinc/24/97/40/564249740.db2.gz IUPNLUYKHRMRDS-LBPRGKRZSA-N 1 0 394.313 2.869 20 0 GFADRO Cc1ccc(NC(=O)c2ccc(S(N)(=O)=O)cc2Cl)c(C[NH+](C)C)c1 ZINC000540520013 564250438 /nfs/dbraw/zinc/25/04/38/564250438.db2.gz BXJAAEBQHHDKMF-UHFFFAOYSA-N 1 0 381.885 2.610 20 0 GFADRO C[C@@H](CC[NH2+]CC1(O)CCS(=O)(=O)CC1)c1cccc(C(F)(F)F)c1 ZINC000564848177 564252253 /nfs/dbraw/zinc/25/22/53/564252253.db2.gz DIQNCFMHPBLQBC-ZDUSSCGKSA-N 1 0 379.444 2.728 20 0 GFADRO CN(C)c1cccc(C[NH2+]C[C@@H](O)COc2cc(F)cc(Br)c2)n1 ZINC000564848486 564252802 /nfs/dbraw/zinc/25/28/02/564252802.db2.gz DFDOLTOZWDJLNK-OAHLLOKOSA-N 1 0 398.276 2.579 20 0 GFADRO CC(=O)Nc1ccc(OC[C@H](O)C[NH2+]Cc2ccsc2Br)cc1 ZINC000564868794 564253628 /nfs/dbraw/zinc/25/36/28/564253628.db2.gz JIOFRZVETBEHGO-CQSZACIVSA-N 1 0 399.310 2.999 20 0 GFADRO CN(CC(=O)Nc1ccc(Br)cn1)C(=O)[C@H]([NH3+])CC1CCCCC1 ZINC000564897855 564255687 /nfs/dbraw/zinc/25/56/87/564255687.db2.gz SRSRTMNSWJYMDZ-CQSZACIVSA-N 1 0 397.317 2.539 20 0 GFADRO C[NH+]1CCC(C)(CNC(=O)NCCOc2cccc(Br)c2)CC1 ZINC000508165534 564256086 /nfs/dbraw/zinc/25/60/86/564256086.db2.gz SLEYNHHTKMLIFS-UHFFFAOYSA-N 1 0 384.318 2.859 20 0 GFADRO COC(=O)c1ccc(C[N@H+](CCNC(C)=O)C2CCSCC2)cc1Cl ZINC000450930664 564256154 /nfs/dbraw/zinc/25/61/54/564256154.db2.gz KVIHENZWNYCBEE-UHFFFAOYSA-N 1 0 384.929 2.960 20 0 GFADRO Cc1ccc(Br)cc1C[NH2+][C@@H]1CC(=O)N(C)[C@H]1c1ccnn1C ZINC000450958815 564256697 /nfs/dbraw/zinc/25/66/97/564256697.db2.gz NJOGGVAKFWUGGW-RHSMWYFYSA-N 1 0 377.286 2.553 20 0 GFADRO CS[C@H]1CN(S(=O)(=O)c2ccc(Cl)c(F)c2Cl)C[C@@H]1[NH+](C)C ZINC000473935598 564258929 /nfs/dbraw/zinc/25/89/29/564258929.db2.gz BRRZRJUBRQWGSS-UWVGGRQHSA-N 1 0 387.329 2.799 20 0 GFADRO Cc1cc(C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)c(C)cc1Br ZINC000508334295 564260747 /nfs/dbraw/zinc/26/07/47/564260747.db2.gz JOVPJUBLVYUVNJ-UHFFFAOYSA-N 1 0 382.346 2.822 20 0 GFADRO CCC(CC)(C[NH3+])C(=O)NCc1noc(-c2cccc(Br)c2)n1 ZINC000564991962 564260883 /nfs/dbraw/zinc/26/08/83/564260883.db2.gz FHTQAOQJJUOUFQ-UHFFFAOYSA-N 1 0 381.274 2.880 20 0 GFADRO [NH3+]CCc1nc(C(=O)N2CCC(c3nc4c(s3)CCCC4)CC2)cs1 ZINC000565006045 564261819 /nfs/dbraw/zinc/26/18/19/564261819.db2.gz XIMNHGLTBQNBNI-UHFFFAOYSA-N 1 0 376.551 2.999 20 0 GFADRO C[N@@H+]1CCN(CCNC(=O)[C@H]2C[C@H]2c2cccc(Br)c2)CC1(C)C ZINC000508349936 564261951 /nfs/dbraw/zinc/26/19/51/564261951.db2.gz ZNDWBEKXJUHBBV-IRXDYDNUSA-N 1 0 394.357 2.695 20 0 GFADRO C[C@@H]1CC[NH2+][C@@H](C(=O)NC[C@H]2CCN(c3ccc(Br)cc3)C2)C1 ZINC000565028757 564262895 /nfs/dbraw/zinc/26/28/95/564262895.db2.gz PMMONIIAQVNAKC-CKEIUWERSA-N 1 0 380.330 2.780 20 0 GFADRO COCC[N@H+](C)CCCNC(=O)N[C@@H]1C[C@H]1c1ccc(Br)s1 ZINC000474061012 564263423 /nfs/dbraw/zinc/26/34/23/564263423.db2.gz BMPGLHNKRJSRHC-VXGBXAGGSA-N 1 0 390.347 2.634 20 0 GFADRO C[NH+](C)CCOC1CCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)CC1 ZINC000474117396 564265960 /nfs/dbraw/zinc/26/59/60/564265960.db2.gz OYPLVIXGNJFHSP-UHFFFAOYSA-N 1 0 395.352 2.866 20 0 GFADRO C[N@@H+]1CCCC[C@H]1CCC(=O)NC[C@H](CO)Cc1ccccc1Br ZINC000508588132 564267428 /nfs/dbraw/zinc/26/74/28/564267428.db2.gz MRMHFAHGIYGZAD-WBVHZDCISA-N 1 0 397.357 2.981 20 0 GFADRO COc1cc(C[N@H+](C)CCOc2ccc(S(N)(=O)=O)cc2)ccc1Cl ZINC000451060570 564269028 /nfs/dbraw/zinc/26/90/28/564269028.db2.gz GCKSUPLOYLHYBP-UHFFFAOYSA-N 1 0 384.885 2.507 20 0 GFADRO C[NH+](C)[C@@]1(CNC(=O)NCCOc2ncc(Cl)cc2Cl)CCSC1 ZINC000474258041 564272739 /nfs/dbraw/zinc/27/27/39/564272739.db2.gz JFCBZPIHIRHFTG-OAHLLOKOSA-N 1 0 393.340 2.504 20 0 GFADRO C[NH+](C)CCN(Cc1ccccc1F)S(=O)(=O)C[C@@H]1CCCC1(F)F ZINC000451089763 564273049 /nfs/dbraw/zinc/27/30/49/564273049.db2.gz FPOKRTNGOCUXDG-HNNXBMFYSA-N 1 0 378.460 2.955 20 0 GFADRO COC(=O)CN(C)C(=O)CC[N@@H+]1CCC[C@H]1c1ccc(Br)s1 ZINC000541317521 564274960 /nfs/dbraw/zinc/27/49/60/564274960.db2.gz CDXOHOPHOQMFJU-NSHDSACASA-N 1 0 389.315 2.669 20 0 GFADRO O=C(NCC[NH2+]C1CC(c2cccc(Br)c2)C1)c1cnccn1 ZINC000565312431 564276070 /nfs/dbraw/zinc/27/60/70/564276070.db2.gz SBJZEAXNQSOCIN-UHFFFAOYSA-N 1 0 375.270 2.505 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2cccc(Br)c2F)[C@H](C)C1 ZINC000541387776 564277670 /nfs/dbraw/zinc/27/76/70/564277670.db2.gz ZDLHPCXXQWCHOO-DGCLKSJQSA-N 1 0 393.322 2.939 20 0 GFADRO Cc1cc(S(=O)(=O)N2CCC[C@@H](CC[NH3+])C2)c(F)cc1Br ZINC000565363526 564277698 /nfs/dbraw/zinc/27/76/98/564277698.db2.gz ICJHIPXGGKUUPP-NSHDSACASA-N 1 0 379.295 2.646 20 0 GFADRO Cc1cc(Br)cn2c(C[NH2+][C@@H]3CC(=O)N([C@H]4C[C@@H]4C)C3)cnc12 ZINC000541392683 564278152 /nfs/dbraw/zinc/27/81/52/564278152.db2.gz IRZBPELISGDQFE-ZBINZKHDSA-N 1 0 377.286 2.504 20 0 GFADRO Cc1nc(NC(=O)C(=O)NC[C@H](CC(C)C)[NH+](C)C)sc1C(F)(F)F ZINC000565396581 564278741 /nfs/dbraw/zinc/27/87/41/564278741.db2.gz KWXPEDWQHGPUKQ-JTQLQIEISA-N 1 0 380.436 2.501 20 0 GFADRO C[NH+](C)CCOCCNC(=O)CCSc1ccc(Br)cc1 ZINC000541528022 564281618 /nfs/dbraw/zinc/28/16/18/564281618.db2.gz HXSIKZYOECDGJA-UHFFFAOYSA-N 1 0 375.332 2.626 20 0 GFADRO CC[C@@H](Cc1ccccc1Br)[N@H+](C)CCS(=O)(=O)N(C)C ZINC000509118908 564282209 /nfs/dbraw/zinc/28/22/09/564282209.db2.gz AGEHEWMJTPSEOE-AWEZNQCLSA-N 1 0 377.348 2.593 20 0 GFADRO COc1cc(CN2CC[C@@H]([NH3+])C[C@H]2C)cc(I)c1OC ZINC000565488793 564282817 /nfs/dbraw/zinc/28/28/17/564282817.db2.gz STAXRQZOPPZXOW-ZYHUDNBSSA-N 1 0 390.265 2.620 20 0 GFADRO C[C@H](CCc1ccc(I)cc1)[NH2+]C[C@@H]1COCCO1 ZINC000474628048 564284482 /nfs/dbraw/zinc/28/44/82/564284482.db2.gz IBPBGRLOQACHNG-IUODEOHRSA-N 1 0 375.250 2.617 20 0 GFADRO CNC(=O)C1CCC([NH2+]C[C@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000565534675 564285544 /nfs/dbraw/zinc/28/55/44/564285544.db2.gz GSEOVSRDNMJVAW-BPCQOVAHSA-N 1 0 375.296 2.628 20 0 GFADRO CN1CCN(C)[C@@H](C[NH2+]Cc2ccc(Br)cc2C(F)(F)F)C1 ZINC000474713845 564286971 /nfs/dbraw/zinc/28/69/71/564286971.db2.gz MUOLDRBCIKNFFC-ZDUSSCGKSA-N 1 0 380.252 2.803 20 0 GFADRO CCOCCC[N@@H+]1CC[C@H](NS(=O)(=O)c2sccc2Cl)[C@H](C)C1 ZINC000451211051 564287214 /nfs/dbraw/zinc/28/72/14/564287214.db2.gz SPPZNZJSQFBPBU-OCCSQVGLSA-N 1 0 380.963 2.817 20 0 GFADRO CSc1ccc(OC[C@H](O)C[NH2+]C[C@H]2CCN(CC(F)(F)F)C2)cc1 ZINC000565593196 564287553 /nfs/dbraw/zinc/28/75/53/564287553.db2.gz FDFAQTSZFLLICG-ZIAGYGMSSA-N 1 0 378.460 2.622 20 0 GFADRO Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@@H]2[NH2+]C[C@](C)(O)C(F)(F)F)cc1 ZINC000541777713 564288823 /nfs/dbraw/zinc/28/88/23/564288823.db2.gz JQOHDHZNAXGMRA-XHSDSOJGSA-N 1 0 379.444 2.983 20 0 GFADRO C[C@H](CCc1ccc(I)cc1)[NH2+]C[C@H](O)[C@@H]1CCOC1 ZINC000474798804 564289388 /nfs/dbraw/zinc/28/93/88/564289388.db2.gz AGPYXMSQULUGIE-XPKDYRNWSA-N 1 0 389.277 2.599 20 0 GFADRO Fc1ccc(I)c(F)c1C[NH2+][C@H]1CCc2c[nH]nc2C1 ZINC000474812741 564290586 /nfs/dbraw/zinc/29/05/86/564290586.db2.gz AGYLEQYZISTDAE-VIFPVBQESA-N 1 0 389.187 2.940 20 0 GFADRO CC[C@H]1C[N@H+](C)CCN1C(=O)[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000565679086 564291018 /nfs/dbraw/zinc/29/10/18/564291018.db2.gz QFJPENBGYQHCEV-JSGCOSHPSA-N 1 0 384.307 2.899 20 0 GFADRO NC(=O)c1ccc(C[NH2+][C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)cc1 ZINC000541846131 564291607 /nfs/dbraw/zinc/29/16/07/564291607.db2.gz ZXNBKIDHXSDNBL-MRXNPFEDSA-N 1 0 378.259 2.987 20 0 GFADRO CSc1nc(C(=O)N2C[C@@H]([NH+]3CCCC3)[C@@H](SC)C2)c2ccccn21 ZINC000541842754 564291785 /nfs/dbraw/zinc/29/17/85/564291785.db2.gz KSHCBDBLGJPCON-CABCVRRESA-N 1 0 376.551 2.708 20 0 GFADRO C[C@@H](CCc1ccc(I)cc1)[NH2+][C@@H]1CC(=O)N(C2CC2)C1 ZINC000474871665 564291892 /nfs/dbraw/zinc/29/18/92/564291892.db2.gz YVLQTZIHGCDLOA-SWLSCSKDSA-N 1 0 398.288 2.965 20 0 GFADRO C[C@H](CCc1ccc(I)cc1)[NH2+][C@@H]1CC(=O)N(C2CC2)C1 ZINC000474871664 564292321 /nfs/dbraw/zinc/29/23/21/564292321.db2.gz YVLQTZIHGCDLOA-IUODEOHRSA-N 1 0 398.288 2.965 20 0 GFADRO C[C@@H]1c2ccsc2CCN1C(=O)C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000565706250 564292699 /nfs/dbraw/zinc/29/26/99/564292699.db2.gz PHCYZRLAAIEHGZ-OCCSQVGLSA-N 1 0 377.535 2.674 20 0 GFADRO O=C(COc1c(Cl)cc(Cl)cc1Cl)NC[C@@]1(O)C[NH+]2CCC1CC2 ZINC000565726455 564293067 /nfs/dbraw/zinc/29/30/67/564293067.db2.gz OETQXQFTSZCLAR-MRXNPFEDSA-N 1 0 393.698 2.599 20 0 GFADRO CC(C)OCC[NH+]1CCC(NS(=O)(=O)C[C@@H]2CCCCC2(F)F)CC1 ZINC000451279045 564294873 /nfs/dbraw/zinc/29/48/73/564294873.db2.gz QCFAIYTUMCWFOE-HNNXBMFYSA-N 1 0 382.517 2.621 20 0 GFADRO C[C@H]1C[C@@H](NC(=O)c2cc(I)ccc2F)CC[N@@H+]1C ZINC000474978862 564296324 /nfs/dbraw/zinc/29/63/24/564296324.db2.gz NKRQPYCJJLKXKS-ONGXEEELSA-N 1 0 376.213 2.643 20 0 GFADRO CCN(CCC[N@H+](C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1)CC(F)(F)F ZINC000475044310 564298192 /nfs/dbraw/zinc/29/81/92/564298192.db2.gz GZDVSPNOORYKRG-ZDUSSCGKSA-N 1 0 381.464 2.601 20 0 GFADRO C[C@H]1C[C@@H]([NH2+]CCOc2ccc(I)cc2)CN1C1CC1 ZINC000509439741 564299433 /nfs/dbraw/zinc/29/94/33/564299433.db2.gz PMDRIXGPJNRQAN-GXTWGEPZSA-N 1 0 386.277 2.885 20 0 GFADRO C[C@@H]1C[N@H+](C)[C@H](C)CN1CC(=O)Nc1c(F)cc(F)cc1Br ZINC000509449428 564299463 /nfs/dbraw/zinc/29/94/63/564299463.db2.gz MTPMNRUFGMPPQS-NXEZZACHSA-N 1 0 376.245 2.690 20 0 GFADRO CC[NH+]1CCN(CCNC(=O)c2coc3c2cc(Br)cc3C)CC1 ZINC000509478723 564301537 /nfs/dbraw/zinc/30/15/37/564301537.db2.gz JJMZPUWSGUPQJY-UHFFFAOYSA-N 1 0 394.313 2.871 20 0 GFADRO CC(C)[C@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl ZINC000475159215 564302335 /nfs/dbraw/zinc/30/23/35/564302335.db2.gz WVYYOECHXBIXDT-UKRRQHHQSA-N 1 0 387.933 2.730 20 0 GFADRO CNc1cc(I)ccc1C(=O)NC[C@@H](C)[NH+]1CCCC1 ZINC000565937622 564302402 /nfs/dbraw/zinc/30/24/02/564302402.db2.gz GTWJXQVANQOVLP-LLVKDONJSA-N 1 0 387.265 2.547 20 0 GFADRO Cc1cc(F)c(Br)cc1NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000475180510 564302443 /nfs/dbraw/zinc/30/24/43/564302443.db2.gz FRAISAQMTMNNNN-GFCCVEGCSA-N 1 0 398.276 2.530 20 0 GFADRO CC(C)n1ccc(C[C@H](C)[NH2+]CCNS(=O)(=O)c2ccc(Cl)s2)n1 ZINC000542145795 564302611 /nfs/dbraw/zinc/30/26/11/564302611.db2.gz GVSFSAXCPNJPKY-LBPRGKRZSA-N 1 0 390.962 2.678 20 0 GFADRO Cc1cc(C)n2c(C[NH2+]CCCCn3cc(Br)cn3)cnc2n1 ZINC000475206217 564303130 /nfs/dbraw/zinc/30/31/30/564303130.db2.gz BFXAJWIIIUJTJO-UHFFFAOYSA-N 1 0 377.290 2.875 20 0 GFADRO C[C@H](NC(=O)N(CC[NH+](C)C)C[C@H]1CCCO1)c1ccc(Br)cn1 ZINC000475249330 564304116 /nfs/dbraw/zinc/30/41/16/564304116.db2.gz VSNYZDHRYSJIIY-DZGCQCFKSA-N 1 0 399.333 2.657 20 0 GFADRO C[C@@H](C[NH2+]C[C@H](O)COc1ccc(Cl)cc1Br)N(C)C1CC1 ZINC000566004844 564305562 /nfs/dbraw/zinc/30/55/62/564305562.db2.gz GKXXRAIDPAXUMW-FZMZJTMJSA-N 1 0 391.737 2.915 20 0 GFADRO CC(=O)NC1CCC([N@H+](C)Cc2nnc(-c3ccc(Br)o3)o2)CC1 ZINC000542243929 564306438 /nfs/dbraw/zinc/30/64/38/564306438.db2.gz ZGIPCJRCHAJFLT-UHFFFAOYSA-N 1 0 397.273 2.971 20 0 GFADRO O=C(CN1CCSC[C@@H]1CO)N[C@@H](c1cccs1)c1ccc(F)cc1 ZINC000542268951 564307601 /nfs/dbraw/zinc/30/76/01/564307601.db2.gz XCBKRNQOXXOQTC-MAUKXSAKSA-N 1 0 380.510 2.503 20 0 GFADRO O=C(COC1CC[NH2+]CC1)N[C@H]1CCCN(c2ccc(Cl)cc2Cl)C1 ZINC000566092268 564308466 /nfs/dbraw/zinc/30/84/66/564308466.db2.gz XDXCUKUSJJTITA-AWEZNQCLSA-N 1 0 386.323 2.847 20 0 GFADRO Cc1cc(Br)cn2c(C[NH2+]C[C@@H](CO)Cc3ccco3)cnc12 ZINC000542312835 564309439 /nfs/dbraw/zinc/30/94/39/564309439.db2.gz GTKNTILFRJTYNR-ZDUSSCGKSA-N 1 0 378.270 2.939 20 0 GFADRO C[C@H](Cn1cc(Br)cn1)[NH2+][C@@H](C)C(=O)N1Cc2ccccc2C1 ZINC000475490763 564309933 /nfs/dbraw/zinc/30/99/33/564309933.db2.gz AEDAKOJGQBLUBS-OLZOCXBDSA-N 1 0 377.286 2.555 20 0 GFADRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)C(=O)Nc1ccc(F)c(Br)c1 ZINC000509759235 564311948 /nfs/dbraw/zinc/31/19/48/564311948.db2.gz OGBFABVQJKLUSH-ABAIWWIYSA-N 1 0 398.276 2.612 20 0 GFADRO C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)NCCOCC[NH+](C)C ZINC000542458064 564313101 /nfs/dbraw/zinc/31/31/01/564313101.db2.gz CTZUCWUAPWIALO-LLVKDONJSA-N 1 0 393.709 2.564 20 0 GFADRO Cc1ccccc1[C@H]([NH3+])C(=O)NCc1cc(Br)c2c(c1)OCCO2 ZINC000566163433 564313621 /nfs/dbraw/zinc/31/36/21/564313621.db2.gz BQBHFFANMVIBOV-INIZCTEOSA-N 1 0 391.265 2.845 20 0 GFADRO NC(=O)C[C@@H]1CCCC[N@@H+]1Cc1ccc(Br)cc1N1CCOCC1 ZINC000475576558 564313725 /nfs/dbraw/zinc/31/37/25/564313725.db2.gz UZRVPEWHHAOEHJ-INIZCTEOSA-N 1 0 396.329 2.516 20 0 GFADRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NS(=O)(=O)c1ccc(Cl)cc1Br ZINC000542466104 564314494 /nfs/dbraw/zinc/31/44/94/564314494.db2.gz GTVMITZTYXIIQQ-ZANVPECISA-N 1 0 393.734 2.864 20 0 GFADRO CCOCCOc1ccc(Br)cc1N[C@H]1CC[N@H+](CCOC)C1 ZINC000542486318 564315133 /nfs/dbraw/zinc/31/51/33/564315133.db2.gz ZJWCPFWFJXATER-HNNXBMFYSA-N 1 0 387.318 2.997 20 0 GFADRO C[C@H]([NH2+]CC(=O)N(C)Cc1cc(Br)cs1)[C@@H]1CCCOC1 ZINC000542579058 564318658 /nfs/dbraw/zinc/31/86/58/564318658.db2.gz WBQIKPWIIWTIFM-NWDGAFQWSA-N 1 0 375.332 2.874 20 0 GFADRO CS[C@@H]1CN(S(=O)(=O)CCc2cccc(Cl)c2)C[C@@H]1[NH+]1CCCC1 ZINC000509945234 564319264 /nfs/dbraw/zinc/31/92/64/564319264.db2.gz SIJOLWHQWWTJHE-DLBZAZTESA-N 1 0 388.986 2.724 20 0 GFADRO COCCN(C)C[C@H](O)C[NH2+][C@H]1c2cc(Br)ccc2CC1(C)C ZINC000566425811 564326948 /nfs/dbraw/zinc/32/69/48/564326948.db2.gz YWWOHRHTTBTIGE-WBVHZDCISA-N 1 0 385.346 2.601 20 0 GFADRO COc1ccc(Br)c(CNC(=O)N(C)[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000476131996 564328530 /nfs/dbraw/zinc/32/85/30/564328530.db2.gz CWRJZFVXWBJUOE-CQSZACIVSA-N 1 0 382.302 2.836 20 0 GFADRO C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)N1CC2CCC1(C[NH3+])CC2 ZINC000566480617 564328836 /nfs/dbraw/zinc/32/88/36/564328836.db2.gz YMDBMWJSBNVNKD-ASFAAARLSA-N 1 0 394.357 2.999 20 0 GFADRO O=C(N[C@H](CCO)c1ccccc1Br)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000542892919 564330396 /nfs/dbraw/zinc/33/03/96/564330396.db2.gz GPHNPPXOVBROAK-IKGGRYGDSA-N 1 0 396.329 2.799 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)N[C@@H](CCO)c2ccccc2Br)CC[N@@H+]1C ZINC000542896918 564330479 /nfs/dbraw/zinc/33/04/79/564330479.db2.gz XSDMCEFXNNJSNO-IOASZLSFSA-N 1 0 384.318 2.655 20 0 GFADRO CC[NH+](CC)C[C@H](C)NC(=O)N[C@@H](CCO)c1ccccc1Br ZINC000542895963 564330783 /nfs/dbraw/zinc/33/07/83/564330783.db2.gz POSQYKSZWGJYQS-BBRMVZONSA-N 1 0 386.334 2.902 20 0 GFADRO NC(=O)[C@H]([NH2+][C@H]([C@H](CO)C1CC1)C1CC1)c1ccc(Br)cc1F ZINC000451606496 564331044 /nfs/dbraw/zinc/33/10/44/564331044.db2.gz LOYWKFKXRAESCM-VNQPRFMTSA-N 1 0 385.277 2.501 20 0 GFADRO CCS(=O)(=O)NCCC[N@@H+]1CCC[C@H](Cc2cc(Cl)ccc2OC)C1 ZINC000510389643 564331889 /nfs/dbraw/zinc/33/18/89/564331889.db2.gz OETLSPVWOBGAND-OAHLLOKOSA-N 1 0 388.961 2.933 20 0 GFADRO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)C[NH2+][C@@H]1CCC[C@H]1OC ZINC000451630572 564332844 /nfs/dbraw/zinc/33/28/44/564332844.db2.gz JTONISZAFIPKEY-CHWSQXEVSA-N 1 0 375.252 2.876 20 0 GFADRO Cc1cc(N2CCC[C@@H]([N@@H+]3C[C@H]4CCN(C)[C@H]4C3)C2=O)ccc1Br ZINC000451625104 564332939 /nfs/dbraw/zinc/33/29/39/564332939.db2.gz PCUHQOMHFXPJLB-OLMNPRSZSA-N 1 0 392.341 2.889 20 0 GFADRO C[C@@H]1C[C@H](C[NH2+]C[C@@H](O)COc2cc(F)cc(Br)c2)[C@H](C)O1 ZINC000566615998 564334433 /nfs/dbraw/zinc/33/44/33/564334433.db2.gz WAXNMRYYZRICKX-NWJSVONSSA-N 1 0 376.266 2.731 20 0 GFADRO COCCCOc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000476340161 564335890 /nfs/dbraw/zinc/33/58/90/564335890.db2.gz GOPUCFMXICIAHY-ZFWWWQNUSA-N 1 0 390.933 2.516 20 0 GFADRO O=C(NCCCC[N@H+]1CCC[C@@H]1CO)c1c[nH]c2ccc(Br)cc12 ZINC000476394421 564337815 /nfs/dbraw/zinc/33/78/15/564337815.db2.gz TYXHBFUXHIEPRI-CQSZACIVSA-N 1 0 394.313 2.897 20 0 GFADRO C[C@@H](NC(=O)NCC(=O)Nc1cc(Cl)ccc1Cl)C1=CC[N@H+](C)CC1 ZINC000510556734 564338775 /nfs/dbraw/zinc/33/87/75/564338775.db2.gz ZULMPRQZOTZQES-LLVKDONJSA-N 1 0 385.295 2.882 20 0 GFADRO CC(=O)Nc1ccc(OC[C@H](O)C[NH2+]Cc2cccc(Br)c2)cc1 ZINC000566732588 564340475 /nfs/dbraw/zinc/34/04/75/564340475.db2.gz CNKHPGVFPMWANT-QGZVFWFLSA-N 1 0 393.281 2.937 20 0 GFADRO Cc1cc(NC(=O)C(=O)N[C@H](C)C[NH+]2CCC(C)CC2)ccc1Br ZINC000566748046 564341337 /nfs/dbraw/zinc/34/13/37/564341337.db2.gz HOYMSTQNMZAVEO-CQSZACIVSA-N 1 0 396.329 2.933 20 0 GFADRO Cc1cc(NC(=O)C(=O)N[C@@H](C)C[NH+]2CCC(C)CC2)ccc1Br ZINC000566748045 564341371 /nfs/dbraw/zinc/34/13/71/564341371.db2.gz HOYMSTQNMZAVEO-AWEZNQCLSA-N 1 0 396.329 2.933 20 0 GFADRO C[C@H](C1CC[NH+](C)CC1)N(C)S(=O)(=O)c1ccc(Br)cc1F ZINC000476510653 564342601 /nfs/dbraw/zinc/34/26/01/564342601.db2.gz DOGYWXLEGZKDSH-LLVKDONJSA-N 1 0 393.322 2.939 20 0 GFADRO OCc1cn(CCC[NH2+]Cc2csc3c2cccc3Br)nn1 ZINC000566864751 564346533 /nfs/dbraw/zinc/34/65/33/564346533.db2.gz NRNHSRMCUUXTGQ-UHFFFAOYSA-N 1 0 381.299 2.928 20 0 GFADRO C[C@H]1CCC[N@H+](CCNC(=O)c2cc(F)ccc2I)C1 ZINC000510868601 564348849 /nfs/dbraw/zinc/34/88/49/564348849.db2.gz SPXYOJDGXMNNTL-NSHDSACASA-N 1 0 390.240 2.892 20 0 GFADRO COC[C@@H]([NH2+][C@H](C)C(=O)Nc1ccc(I)cc1)C(C)C ZINC000543453352 564351452 /nfs/dbraw/zinc/35/14/52/564351452.db2.gz KIKCVNQZZONIRQ-BXUZGUMPSA-N 1 0 390.265 2.879 20 0 GFADRO CS(=O)(=O)C[C@@H]([NH2+][C@@H]1CCN(c2ccc(Cl)cc2Cl)C1)C1CC1 ZINC000566964356 564351698 /nfs/dbraw/zinc/35/16/98/564351698.db2.gz CQXSTCCMMMCLJB-UKRRQHHQSA-N 1 0 377.337 2.985 20 0 GFADRO CC(C)(C)[NH+]1CCC(NCCNS(=O)(=O)c2ccc(F)cc2Cl)CC1 ZINC000510986443 564352839 /nfs/dbraw/zinc/35/28/39/564352839.db2.gz PFTHOHWVYNERFY-UHFFFAOYSA-N 1 0 391.940 2.610 20 0 GFADRO C[N@@H+]1CC[C@@H]2OCCN(C(=O)c3c(Cl)cc(F)cc3Br)[C@@H]2C1 ZINC000451802800 564353217 /nfs/dbraw/zinc/35/32/17/564353217.db2.gz PEFQETWHMDELBV-OLZOCXBDSA-N 1 0 391.668 2.787 20 0 GFADRO O=S(=O)(NCC[NH2+][C@@H]1CCCC12CCOCC2)c1ccc(F)cc1Cl ZINC000511028869 564353613 /nfs/dbraw/zinc/35/36/13/564353613.db2.gz HFDZZCZOPDKAHS-MRXNPFEDSA-N 1 0 390.908 2.696 20 0 GFADRO CCCN(Cc1ccccc1Br)C(=O)C(=O)N(C)CCC[NH+](C)C ZINC000567027044 564354456 /nfs/dbraw/zinc/35/44/56/564354456.db2.gz WVIGGDMGCLAQIF-UHFFFAOYSA-N 1 0 398.345 2.598 20 0 GFADRO Cc1ccc(CCC(=O)N2CC[N@@H+](C[C@H](C)O)C[C@H]2C)c(Br)c1 ZINC000476851456 564355349 /nfs/dbraw/zinc/35/53/49/564355349.db2.gz LJVVBZXPYAOKME-CABCVRRESA-N 1 0 383.330 2.604 20 0 GFADRO C[C@@H](O)C[N@@H+]1CCN(C(=O)CCOc2ccc(Cl)cc2Cl)[C@@H](C)C1 ZINC000476855354 564355773 /nfs/dbraw/zinc/35/57/73/564355773.db2.gz SPGUOCGFXOVYFD-QWHCGFSZSA-N 1 0 375.296 2.676 20 0 GFADRO O=C(Nc1ccc(I)cc1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000567141975 564359055 /nfs/dbraw/zinc/35/90/55/564359055.db2.gz UDGBOTJYVLNIMI-OAHLLOKOSA-N 1 0 385.249 2.899 20 0 GFADRO O=S(=O)(Cc1nc(CC23CCC[NH+]2CCC3)no1)c1ccc(Cl)cc1 ZINC000567152064 564360043 /nfs/dbraw/zinc/36/00/43/564360043.db2.gz XJRWUPFNTPEKAJ-UHFFFAOYSA-N 1 0 381.885 2.868 20 0 GFADRO O=C(NCCCC[NH+]1CCN(c2ncccn2)CC1)c1sccc1Cl ZINC000511183432 564361467 /nfs/dbraw/zinc/36/14/67/564361467.db2.gz KHYXXPDWVDAZCV-UHFFFAOYSA-N 1 0 379.917 2.524 20 0 GFADRO [NH3+]C[C@H](NC(=O)N1CCC[C@H](Nc2cccc(Br)c2)C1)C1CC1 ZINC000567248231 564362863 /nfs/dbraw/zinc/36/28/63/564362863.db2.gz RULJMPWVWGMTJP-HOTGVXAUSA-N 1 0 381.318 2.772 20 0 GFADRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N[C@@H]1CCSc2ccc(Cl)cc21 ZINC000477060200 564363440 /nfs/dbraw/zinc/36/34/40/564363440.db2.gz CREZGFKQEUDKNS-IUODEOHRSA-N 1 0 383.945 2.840 20 0 GFADRO CCOc1ccccc1Nc1nnc(SC[C@H](O)C[N@H+](C)C(C)C)s1 ZINC000567292175 564364913 /nfs/dbraw/zinc/36/49/13/564364913.db2.gz ICXCNCKFFLNXGM-CYBMUJFWSA-N 1 0 382.555 3.474 20 0 GFADRO CCCS(=O)(=O)N1CCC([NH2+][C@@H](C)c2cncc(Br)c2)CC1 ZINC000567292210 564365222 /nfs/dbraw/zinc/36/52/22/564365222.db2.gz IPOREXQSFKIOHS-LBPRGKRZSA-N 1 0 390.347 2.699 20 0 GFADRO [NH3+]CCc1ccccc1C(=O)N[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000567401247 564370301 /nfs/dbraw/zinc/37/03/01/564370301.db2.gz WQSBXKYQUFRHTM-MRXNPFEDSA-N 1 0 388.309 2.959 20 0 GFADRO Cc1cc(COc2ccc(C(=O)N[C@@H](C)CC[NH3+])cc2Br)on1 ZINC000477314460 564373171 /nfs/dbraw/zinc/37/31/71/564373171.db2.gz OKADKUKRONSYCT-JTQLQIEISA-N 1 0 382.258 2.792 20 0 GFADRO C[C@@H]1CC[NH2+][C@@H](C(=O)NC[C@@H]2CCN(c3cccc(Br)c3)C2)C1 ZINC000567504094 564374204 /nfs/dbraw/zinc/37/42/04/564374204.db2.gz AOCUNHYROGZULG-JKIFEVAISA-N 1 0 380.330 2.780 20 0 GFADRO C[C@@](CO)([NH2+]C[C@@H](O)COc1ccc(F)cc1)c1ccc(Br)cc1 ZINC000511606798 564377440 /nfs/dbraw/zinc/37/74/40/564377440.db2.gz XVRGKVBJIKMVST-AEFFLSMTSA-N 1 0 398.272 2.825 20 0 GFADRO O=S(=O)(NCC[NH2+]C1CCC2(CCCO2)CC1)c1ccc(Cl)cc1F ZINC000567566822 564377532 /nfs/dbraw/zinc/37/75/32/564377532.db2.gz RSRYFROOGUYHBO-UHFFFAOYSA-N 1 0 390.908 2.839 20 0 GFADRO CC[NH+](CC)C[C@H](C)NC(=O)c1cc(F)ccc1I ZINC000511701159 564380616 /nfs/dbraw/zinc/38/06/16/564380616.db2.gz FUVSBYQBTYNPOJ-JTQLQIEISA-N 1 0 378.229 2.890 20 0 GFADRO CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CCNC(=O)[C@@H]1c1ccccc1Br ZINC000477633849 564382700 /nfs/dbraw/zinc/38/27/00/564382700.db2.gz MJAAJDNMZLIFIN-WFASDCNBSA-N 1 0 396.329 2.615 20 0 GFADRO O=C(NCC[N@H+]1CC=CCC1)c1cc(I)ccc1Cl ZINC000477647068 564383002 /nfs/dbraw/zinc/38/30/02/564383002.db2.gz UXYGOGHFVRLGGS-UHFFFAOYSA-N 1 0 390.652 2.936 20 0 GFADRO Cn1ccnc1Sc1ncc(C(=O)NC[C@H](C2CC2)[NH+](C)C)cc1Cl ZINC000511804788 564383119 /nfs/dbraw/zinc/38/31/19/564383119.db2.gz DXXYIZYWQSUOQO-CQSZACIVSA-N 1 0 379.917 2.690 20 0 GFADRO C[C@@H]([NH2+]C[C@@H]1CCCN1Cc1ccc(I)cc1)[C@H](C)O ZINC000567700617 564384099 /nfs/dbraw/zinc/38/40/99/564384099.db2.gz NBVQYTIUSRWDPI-WWGRRREGSA-N 1 0 388.293 2.615 20 0 GFADRO CCS(=O)(=O)N1CCC(C[NH2+]Cc2cccc(OC(F)(F)F)c2)CC1 ZINC000544617237 564390566 /nfs/dbraw/zinc/39/05/66/564390566.db2.gz XKBNQFCHRHYRHO-UHFFFAOYSA-N 1 0 380.432 2.737 20 0 GFADRO [NH3+]CC[C@H](NC(=O)CSCc1ccc(Br)cc1F)C(F)F ZINC000567846558 564391447 /nfs/dbraw/zinc/39/14/47/564391447.db2.gz GVRRMHTUWYFHQV-NSHDSACASA-N 1 0 385.249 2.920 20 0 GFADRO COc1cc(I)c(Cl)cc1C(=O)N[C@@H](C)CCC[NH3+] ZINC000567848092 564391548 /nfs/dbraw/zinc/39/15/48/564391548.db2.gz RMEIZLZGWFNZJV-QMMMGPOBSA-N 1 0 396.656 2.810 20 0 GFADRO C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000567846031 564392004 /nfs/dbraw/zinc/39/20/04/564392004.db2.gz RSZUNFSJJNHFOV-PRHODGIISA-N 1 0 397.647 2.983 20 0 GFADRO O=S(=O)(NCCC[C@@H]1CCC[NH2+]1)c1cc(Br)ccc1Cl ZINC000567862087 564393010 /nfs/dbraw/zinc/39/30/10/564393010.db2.gz KRRZHODFONEFQF-NSHDSACASA-N 1 0 381.723 2.913 20 0 GFADRO COC(=O)c1cc(Cl)c(C)c(S(=O)(=O)N(C)[C@@H]2CC[N@@H+](C(C)C)C2)c1 ZINC000452101047 564393170 /nfs/dbraw/zinc/39/31/70/564393170.db2.gz FYHYFTOYUSVDMG-CQSZACIVSA-N 1 0 388.917 2.538 20 0 GFADRO CC(=O)Nc1ccc(NC(=O)C[NH2+][C@H]2CSC[C@@H]2C)c(C(F)(F)F)c1 ZINC000512165563 564393932 /nfs/dbraw/zinc/39/39/32/564393932.db2.gz LPFASDXWPUXRCT-XPTSAGLGSA-N 1 0 375.416 2.943 20 0 GFADRO CC[NH+](CC)CCOCCNC(=O)N(C)Cc1ccc(Br)o1 ZINC000544691135 564394257 /nfs/dbraw/zinc/39/42/57/564394257.db2.gz MYFFSAKSBICRFE-UHFFFAOYSA-N 1 0 376.295 2.542 20 0 GFADRO C[C@@H]1CSC[C@@H]1[NH2+]CC(=O)Nc1cccc(I)c1 ZINC000512214142 564394547 /nfs/dbraw/zinc/39/45/47/564394547.db2.gz UWCKGCUKJAQBQR-SKDRFNHKSA-N 1 0 376.263 2.571 20 0 GFADRO C[C@@H]([NH3+])c1ccc(CNC(=O)C(=O)N2CCc3sc(Cl)cc3C2)cc1 ZINC000567880866 564394604 /nfs/dbraw/zinc/39/46/04/564394604.db2.gz OPMAHFMFGVOLTM-LLVKDONJSA-N 1 0 377.897 2.622 20 0 GFADRO CCO[C@H]1COCC[C@H]1[NH2+]Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000544707397 564395266 /nfs/dbraw/zinc/39/52/66/564395266.db2.gz KQKOVRCLFJAYRI-SJORKVTESA-N 1 0 380.286 2.918 20 0 GFADRO CN(Cc1ccc(F)cc1Br)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000567894555 564395734 /nfs/dbraw/zinc/39/57/34/564395734.db2.gz CPIBOHGKRQXDGJ-ROUUACIJSA-N 1 0 381.289 2.951 20 0 GFADRO CCC(C)(C)[N@H+](C)CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000512260546 564395845 /nfs/dbraw/zinc/39/58/45/564395845.db2.gz MIYZAESMEQQVSR-UHFFFAOYSA-N 1 0 375.922 2.649 20 0 GFADRO C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+]1CC[C@@H](CCCO)C1 ZINC000452134840 564395849 /nfs/dbraw/zinc/39/58/49/564395849.db2.gz VHYWLMGWYMPIMT-LSDHHAIUSA-N 1 0 383.330 2.890 20 0 GFADRO O=C(CC[NH+]1CCN(Cc2ncc[nH]2)CC1)Nc1c(Cl)cccc1Cl ZINC000512312223 564397763 /nfs/dbraw/zinc/39/77/63/564397763.db2.gz CBRIYFIKXNPEJG-UHFFFAOYSA-N 1 0 382.295 2.863 20 0 GFADRO O=C(c1ccc(Br)cc1)N1CC[NH+](C[C@@H]2CCCC[C@H]2O)CC1 ZINC000567989676 564398854 /nfs/dbraw/zinc/39/88/54/564398854.db2.gz NFXCCNZETWVTGQ-DOTOQJQBSA-N 1 0 381.314 2.758 20 0 GFADRO Ic1cnc(C[NH2+]CCc2ccc3c[nH]nc3c2)s1 ZINC000512359534 564398944 /nfs/dbraw/zinc/39/89/44/564398944.db2.gz IAOVYZQJXCCIRA-UHFFFAOYSA-N 1 0 384.246 2.956 20 0 GFADRO CC(C)(CNC(=O)N[C@@H](CO)c1ccc(Br)cc1)C[NH+]1CCCC1 ZINC000478411364 564401496 /nfs/dbraw/zinc/40/14/96/564401496.db2.gz MRIDKJLEUPNBLH-INIZCTEOSA-N 1 0 398.345 2.904 20 0 GFADRO Cc1cc(Br)cc2c(C(=O)NC[C@]3(O)C[NH+]4CCC3CC4)coc21 ZINC000568106800 564405320 /nfs/dbraw/zinc/40/53/20/564405320.db2.gz WQGQQECFOFSHKS-SFHVURJKSA-N 1 0 393.281 2.690 20 0 GFADRO CS(=O)(=O)N[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(Sc2ccccn2)o1 ZINC000512563205 564405695 /nfs/dbraw/zinc/40/56/95/564405695.db2.gz CPBINPVWGGSNCG-LSDHHAIUSA-N 1 0 381.523 2.776 20 0 GFADRO Cc1ncsc1CNc1cccc(S(=O)(=O)NCCCC[NH+](C)C)c1 ZINC000512651730 564407565 /nfs/dbraw/zinc/40/75/65/564407565.db2.gz AKZFXONGCDZMRC-UHFFFAOYSA-N 1 0 382.555 2.684 20 0 GFADRO O=C(NC[C@@H]1CCC[N@H+]1CCCO)[C@H]1C[C@H]1c1cccc(Br)c1 ZINC000452351595 564407627 /nfs/dbraw/zinc/40/76/27/564407627.db2.gz QGZPKGRNHSKOKE-ULQDDVLXSA-N 1 0 381.314 2.516 20 0 GFADRO CCCCNS(=O)(=O)c1cccc(NCc2ncc(CN(C)C)s2)c1 ZINC000512648619 564407690 /nfs/dbraw/zinc/40/76/90/564407690.db2.gz PEMCORQWLNMSKE-UHFFFAOYSA-N 1 0 382.555 2.895 20 0 GFADRO COC(=O)C[C@](C)(NC(=O)C[N@@H+]1CC[C@H](C)C1)c1ccc(Br)cc1 ZINC000568205486 564408813 /nfs/dbraw/zinc/40/88/13/564408813.db2.gz PEDLSFQGNSVWFD-UGSOOPFHSA-N 1 0 397.313 2.685 20 0 GFADRO CCSCCCNC(=O)C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000512739273 564409489 /nfs/dbraw/zinc/40/94/89/564409489.db2.gz IXCAFJOSLKMOTF-GOEBONIOSA-N 1 0 383.583 2.507 20 0 GFADRO C[C@@H](NC(=O)[C@@H]1CCC(=O)N1Cc1ccc(Br)cc1)c1ncc[nH]1 ZINC000568234515 564409785 /nfs/dbraw/zinc/40/97/85/564409785.db2.gz RVMUBBDRBHRAOM-RISCZKNCSA-N 1 0 391.269 2.541 20 0 GFADRO O=C(N[C@@H]1CCC[N@@H+](CCCO)C1)c1cc2cc(Br)ccc2o1 ZINC000452372437 564410117 /nfs/dbraw/zinc/41/01/17/564410117.db2.gz CMTNTIKYEMKVRE-CQSZACIVSA-N 1 0 381.270 2.772 20 0 GFADRO CC[C@H](Cc1ccccc1Br)C(=O)NC[C@H]1CCC[N@@H+]1CCCO ZINC000452374563 564410263 /nfs/dbraw/zinc/41/02/63/564410263.db2.gz WXWXYERCMGHKAS-NVXWUHKLSA-N 1 0 397.357 2.981 20 0 GFADRO C[C@H](Oc1cc(Cl)cc(Cl)c1)C(=O)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000452374912 564410421 /nfs/dbraw/zinc/41/04/21/564410421.db2.gz LMOPEEHBBCHUCD-SWLSCSKDSA-N 1 0 375.296 2.724 20 0 GFADRO COCCOc1ccc(Br)cc1NC(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC000568254160 564411290 /nfs/dbraw/zinc/41/12/90/564411290.db2.gz MBUMTFBVSUVAAN-HNNXBMFYSA-N 1 0 393.281 2.983 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)CCc2ncc(-c3ccc(Cl)cc3Cl)o2)CCO1 ZINC000478722449 564412596 /nfs/dbraw/zinc/41/25/96/564412596.db2.gz TWQUTOKXFQATMA-LBPRGKRZSA-N 1 0 384.263 2.767 20 0 GFADRO Cc1ccoc1C[NH2+]CCCNS(=O)(=O)c1ccccc1Br ZINC000512883868 564415387 /nfs/dbraw/zinc/41/53/87/564415387.db2.gz ABBNLPJYUCLKLT-UHFFFAOYSA-N 1 0 387.299 2.809 20 0 GFADRO Cc1nc(S(=O)(=O)NC[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)sc1C ZINC000478782154 564415638 /nfs/dbraw/zinc/41/56/38/564415638.db2.gz HAHSCWGDNFZRMJ-KRWDZBQOSA-N 1 0 379.551 2.949 20 0 GFADRO CC(C)OC(=O)CC[NH2+]C[C@H](O)COc1ccc(Cl)cc1Br ZINC000568382306 564416474 /nfs/dbraw/zinc/41/64/74/564416474.db2.gz XVPFBRMHCUXIHG-LBPRGKRZSA-N 1 0 394.693 2.774 20 0 GFADRO C[NH+](C)C[C@@H]1CCCN1S(=O)(=O)Cc1cc(Cl)ccc1Br ZINC000568388679 564416645 /nfs/dbraw/zinc/41/66/45/564416645.db2.gz NOABXQZHZRRWNO-ZDUSSCGKSA-N 1 0 395.750 2.958 20 0 GFADRO CCOc1c(C[NH2+]CCn2cc(Br)cn2)c(C)nn1CC(C)C ZINC000512976945 564417126 /nfs/dbraw/zinc/41/71/26/564417126.db2.gz CYSXPDZFNTZZTH-UHFFFAOYSA-N 1 0 384.322 2.995 20 0 GFADRO CN(C)c1ccncc1C[NH2+]CCCNC(=O)c1ccc(Br)cc1 ZINC000545344211 564417718 /nfs/dbraw/zinc/41/77/18/564417718.db2.gz XFYGWVJMEDNRKO-UHFFFAOYSA-N 1 0 391.313 2.820 20 0 GFADRO Cc1ccc(C[NH2+]C[C@H]2CCCCN2S(C)(=O)=O)c(Br)c1 ZINC000513011982 564418066 /nfs/dbraw/zinc/41/80/66/564418066.db2.gz LAKMRWBLEIPXQQ-CQSZACIVSA-N 1 0 375.332 2.661 20 0 GFADRO Cc1ccc(Br)c(S(=O)(=O)NCC[NH2+][C@@H]2CCCSC2)c1 ZINC000513100521 564419788 /nfs/dbraw/zinc/41/97/88/564419788.db2.gz KPIUNCLQTMFHKR-GFCCVEGCSA-N 1 0 393.372 2.521 20 0 GFADRO CN(C)c1cc[nH+]cc1C(=O)NCc1cc(Br)c2c(c1)OCCO2 ZINC000545374981 564420827 /nfs/dbraw/zinc/42/08/27/564420827.db2.gz LPNZMGYLOSCVCJ-UHFFFAOYSA-N 1 0 392.253 2.611 20 0 GFADRO COC(=O)C[C@@](C)([NH2+]CCc1cnn(C)c1)c1ccc(Br)cc1 ZINC000513122112 564421069 /nfs/dbraw/zinc/42/10/69/564421069.db2.gz LLCQNDHNOKQEAY-QGZVFWFLSA-N 1 0 380.286 2.793 20 0 GFADRO COC(=O)C[C@@](C)([NH2+]C[C@@H](O)C(F)(F)F)c1ccc(Br)cc1 ZINC000513121286 564421082 /nfs/dbraw/zinc/42/10/82/564421082.db2.gz BKRNKAUEYZIJEF-DGCLKSJQSA-N 1 0 384.192 2.740 20 0 GFADRO CS(=O)(=O)N1CCC[C@H]([NH2+][C@@H]2CCCc3cc(Br)ccc32)C1 ZINC000479075723 564424237 /nfs/dbraw/zinc/42/42/37/564424237.db2.gz YBLZYTYMFYJFTO-GOEBONIOSA-N 1 0 387.343 2.840 20 0 GFADRO Cc1c(S(=O)(=O)NC2(C[NH+](C)C)CCC2)cnn1-c1ccc(Cl)cc1 ZINC000545490282 564425448 /nfs/dbraw/zinc/42/54/48/564425448.db2.gz HGWNHYAPVRKGSK-UHFFFAOYSA-N 1 0 382.917 2.597 20 0 GFADRO Cc1csc(Sc2ccc(NC(=O)C(=O)N[C@@H](C)C[C@H](C)[NH3+])cc2)n1 ZINC000568628082 564427570 /nfs/dbraw/zinc/42/75/70/564427570.db2.gz LPMVKBGURHQUPW-QWRGUYRKSA-N 1 0 378.523 2.783 20 0 GFADRO [NH3+]C[C@@H](C(=O)N1CCN(Cc2ccc(Cl)s2)CC1)c1ccc(F)cc1 ZINC000479202548 564430880 /nfs/dbraw/zinc/43/08/80/564430880.db2.gz CNWFYDLQDOQSAG-MRXNPFEDSA-N 1 0 381.904 2.927 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000479311132 564435721 /nfs/dbraw/zinc/43/57/21/564435721.db2.gz FSVMZRWPNMQGMF-HUUCEWRRSA-N 1 0 394.313 2.693 20 0 GFADRO C[C@H]1C[C@@H](NC(=O)NCc2cc(Br)cc3c2OCC3)CC[N@@H+]1C ZINC000545901020 564436879 /nfs/dbraw/zinc/43/68/79/564436879.db2.gz FXRTWPNHWAFUHT-NHYWBVRUSA-N 1 0 382.302 2.666 20 0 GFADRO CNC(=O)CN1CCC([NH2+][C@H]2CCCc3cc(Br)ccc32)CC1 ZINC000479353932 564437152 /nfs/dbraw/zinc/43/71/52/564437152.db2.gz ZHFHYSQDRKRLFM-KRWDZBQOSA-N 1 0 380.330 2.627 20 0 GFADRO CO[C@H]1CCN(C(=O)NCc2cc(Cl)ccc2Br)[C@H](C[NH3+])C1 ZINC000568864099 564438354 /nfs/dbraw/zinc/43/83/54/564438354.db2.gz XAFOSYGVTZENAO-STQMWFEESA-N 1 0 390.709 2.750 20 0 GFADRO CNS(=O)(=O)CC[NH2+][C@@H]1C[C@H](C)CCc2ccc(Br)cc21 ZINC000479455741 564440722 /nfs/dbraw/zinc/44/07/22/564440722.db2.gz ONWVHKIWICIRNT-IAQYHMDHSA-N 1 0 375.332 2.601 20 0 GFADRO C[NH+](C)[C@H]1CCN(C(=O)NCCc2c[nH]c3ccc(Br)cc23)C1 ZINC000568915410 564440934 /nfs/dbraw/zinc/44/09/34/564440934.db2.gz ZBYKJLYFMVIVTL-AWEZNQCLSA-N 1 0 379.302 2.818 20 0 GFADRO CS(=O)(=O)N1CC[C@H](C[N@H+](Cc2ccccc2C(F)(F)F)C2CC2)C1 ZINC000513898644 564442148 /nfs/dbraw/zinc/44/21/48/564442148.db2.gz NZYMCENPIGQPHR-CYBMUJFWSA-N 1 0 376.444 2.951 20 0 GFADRO CCC[N@@H+](Cc1ccccc1Br)C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000513893600 564442315 /nfs/dbraw/zinc/44/23/15/564442315.db2.gz WTQPLPBVBDNJTH-AWEZNQCLSA-N 1 0 389.359 2.943 20 0 GFADRO CC[NH+]1CCN(CC(C)(C)NS(=O)(=O)c2csc3ccccc32)CC1 ZINC000568958361 564442582 /nfs/dbraw/zinc/44/25/82/564442582.db2.gz UQHLYTDSZPPHKC-UHFFFAOYSA-N 1 0 381.567 2.596 20 0 GFADRO CCO[C@@H]1COCC[C@H]1[NH2+][C@@H](C)CC(=O)Nc1ccc(Br)cc1 ZINC000546163205 564446413 /nfs/dbraw/zinc/44/64/13/564446413.db2.gz GDVJCHYQJBBBRO-APHBMKBZSA-N 1 0 385.302 2.950 20 0 GFADRO C[C@@H]1c2cccc(Br)c2CC[N@H+]1CCC(=O)N1CCN(C)CC1 ZINC000514143047 564447171 /nfs/dbraw/zinc/44/71/71/564447171.db2.gz ZRZPGMTXAFBGOI-CQSZACIVSA-N 1 0 380.330 2.532 20 0 GFADRO COC(=O)[C@H](C)C[N@H+](Cc1cc(Br)c2c(c1)OCCO2)C1CC1 ZINC000546197565 564448486 /nfs/dbraw/zinc/44/84/86/564448486.db2.gz JFJUNLYFTGQHKZ-LLVKDONJSA-N 1 0 384.270 2.994 20 0 GFADRO C[C@H](NC(=O)CC[NH2+]C1CC1)c1nc(-c2ccc(Br)cc2)no1 ZINC000569115920 564449389 /nfs/dbraw/zinc/44/93/89/564449389.db2.gz AJZRSJLYEJCWHN-JTQLQIEISA-N 1 0 379.258 2.818 20 0 GFADRO CO[C@]1(C[NH2+][C@H](C)c2ccc(F)c(I)c2)CCOC1 ZINC000453194341 564450160 /nfs/dbraw/zinc/45/01/60/564450160.db2.gz JEAWSDZHGYRKJD-YGRLFVJLSA-N 1 0 379.213 2.886 20 0 GFADRO COc1ccc(Cl)cc1[C@H](CC(C)C)[NH2+]C[C@]1(O)CCS(=O)(=O)C1 ZINC000453271695 564450574 /nfs/dbraw/zinc/45/05/74/564450574.db2.gz HCPLHXCLEXCUQP-DOTOQJQBSA-N 1 0 375.918 2.575 20 0 GFADRO OC[C@@H](Cc1ccccc1)[NH2+]C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000514604029 564450666 /nfs/dbraw/zinc/45/06/66/564450666.db2.gz SVJOIOOYTKNGLI-SJORKVTESA-N 1 0 398.272 2.521 20 0 GFADRO O=C(Nc1cccc(Oc2ncc(Br)cn2)c1)N1CCC[NH2+]CC1 ZINC000514660877 564452399 /nfs/dbraw/zinc/45/23/99/564452399.db2.gz CFZKNLYCQKTMEX-UHFFFAOYSA-N 1 0 392.257 2.859 20 0 GFADRO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CCN1C[C@H]2CC[C@@H](C1)O2 ZINC000453374986 564456242 /nfs/dbraw/zinc/45/62/42/564456242.db2.gz ZQDZYXQOVGWTHH-XYPHTWIQSA-N 1 0 396.329 2.619 20 0 GFADRO C[C@@H](C[NH2+]CCS(=O)(=O)N1CCSCC1)c1ccc(C(F)(F)F)cc1 ZINC000514817583 564458681 /nfs/dbraw/zinc/45/86/81/564458681.db2.gz IBGHIYPZCVRYGG-ZDUSSCGKSA-N 1 0 396.500 2.777 20 0 GFADRO C[C@@]1(C[NH2+]Cc2cc(Br)cc(Br)c2N)CCC(=O)N1 ZINC000453592127 564459025 /nfs/dbraw/zinc/45/90/25/564459025.db2.gz SHJLLESKZWPVLH-ZDUSSCGKSA-N 1 0 391.107 2.552 20 0 GFADRO COc1ccc(Br)cc1CNC(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000569333434 564459049 /nfs/dbraw/zinc/45/90/49/564459049.db2.gz SUQNHJYRTVMONE-KBPBESRZSA-N 1 0 396.329 2.989 20 0 GFADRO CC[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2cc(Br)ccc2F)C1 ZINC000546593663 564460224 /nfs/dbraw/zinc/46/02/24/564460224.db2.gz LTDCOXIOVJHISK-NSHDSACASA-N 1 0 379.295 2.598 20 0 GFADRO CCS(=O)(=O)N1CCC(C[NH2+]Cc2sccc2Br)CC1 ZINC000546611049 564460894 /nfs/dbraw/zinc/46/08/94/564460894.db2.gz BGUUVSOHEHWZCF-UHFFFAOYSA-N 1 0 381.361 2.662 20 0 GFADRO COc1cc(C[NH2+]C[C@H]2CC[C@H](C)O2)cc(I)c1OC ZINC000453634436 564461369 /nfs/dbraw/zinc/46/13/69/564461369.db2.gz SOXNFUNLQACEBQ-CMPLNLGQSA-N 1 0 391.249 2.966 20 0 GFADRO COC(=O)CCCN1CCC([NH2+]CCOc2cccc(Br)c2)CC1 ZINC000546619617 564462422 /nfs/dbraw/zinc/46/24/22/564462422.db2.gz NGIJSHWVHUVEJO-UHFFFAOYSA-N 1 0 399.329 2.835 20 0 GFADRO COc1cc2[nH+]ccc(N3CCS(=O)(=O)C[C@@H](C)C3)c2cc1Br ZINC000514933279 564463165 /nfs/dbraw/zinc/46/31/65/564463165.db2.gz YYNWXYGZGWFJGF-NSHDSACASA-N 1 0 399.310 2.877 20 0 GFADRO C[C@H](Cn1cccn1)[NH2+][C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000480193798 564463406 /nfs/dbraw/zinc/46/34/06/564463406.db2.gz FIWACYIGMLLEDN-BXUZGUMPSA-N 1 0 384.299 2.542 20 0 GFADRO CN(C(=O)NCC[C@@H]1CC[NH2+]C1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000569458749 564465105 /nfs/dbraw/zinc/46/51/05/564465105.db2.gz AGQKREFUSYDNNJ-SWLSCSKDSA-N 1 0 382.302 2.914 20 0 GFADRO O=S1(=O)CC[C@@H]([NH2+]CCN2CCCCC2)c2cc(Br)ccc21 ZINC000480257141 564466169 /nfs/dbraw/zinc/46/61/69/564466169.db2.gz YXUBIJPYBOPVPF-OAHLLOKOSA-N 1 0 387.343 2.743 20 0 GFADRO CCN(CC)C[C@H](C)[NH2+][C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000480251158 564466200 /nfs/dbraw/zinc/46/62/00/564466200.db2.gz HBQRIVSGUFWYFA-WFASDCNBSA-N 1 0 389.359 2.988 20 0 GFADRO C[NH+](C)[C@@]1(CNC(=O)c2ccnc(SCC(F)(F)F)c2)CCSC1 ZINC000480276412 564466909 /nfs/dbraw/zinc/46/69/09/564466909.db2.gz HGTOXQYUAXXSFV-CQSZACIVSA-N 1 0 379.473 2.903 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)C(=O)N(C)Cc2cc(Cl)cc(Cl)c2)C[N@@H+]1C1CC1 ZINC000569526943 564468250 /nfs/dbraw/zinc/46/82/50/564468250.db2.gz KXQAVMDXSFGAMM-ABAIWWIYSA-N 1 0 384.307 2.693 20 0 GFADRO CCN1CCC[C@@H]1C[NH2+][C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000480330607 564468532 /nfs/dbraw/zinc/46/85/32/564468532.db2.gz UCAQNCVRPJIKPA-UKRRQHHQSA-N 1 0 387.343 2.742 20 0 GFADRO C[C@@H](NC(=O)N(C)CCC[NH3+])c1nc(-c2ccc(Br)cc2)no1 ZINC000569558694 564468988 /nfs/dbraw/zinc/46/89/88/564468988.db2.gz GXNOGKCRTNFNCQ-SNVBAGLBSA-N 1 0 382.262 2.550 20 0 GFADRO Cn1ncc2c1CCC[C@@H]2[NH2+]C[C@H](O)COc1ccc(Br)cc1 ZINC000515166074 564470626 /nfs/dbraw/zinc/47/06/26/564470626.db2.gz XYKDBUHIGBHSIT-BBRMVZONSA-N 1 0 380.286 2.590 20 0 GFADRO COCC[C@H](Cc1cccc(Br)c1)C(=O)N(C)C1(C[NH3+])CCC1 ZINC000569595439 564470742 /nfs/dbraw/zinc/47/07/42/564470742.db2.gz UUESBVZWIWXUCD-OAHLLOKOSA-N 1 0 383.330 2.984 20 0 GFADRO CSc1ccc(NC(=O)C(=O)N2CC[N@@H+](C3CC3)C[C@H](C)C2)cc1Cl ZINC000453771082 564470954 /nfs/dbraw/zinc/47/09/54/564470954.db2.gz UFVAOJPRQGHROP-LBPRGKRZSA-N 1 0 381.929 2.943 20 0 GFADRO Cn1cc([C@@H]2CN(C(=O)[C@@H]3C[C@@H]3c3ccc(Cl)cc3Cl)C[C@H]2[NH3+])cn1 ZINC000515346471 564475999 /nfs/dbraw/zinc/47/59/99/564475999.db2.gz CHOQCLRHYXBUNP-PNBKFKSVSA-N 1 0 379.291 2.784 20 0 GFADRO O=C1[C@H](N2CC[C@]3(C2)CCC[NH2+]C3)CCN1c1cccc(Br)c1 ZINC000569724111 564475979 /nfs/dbraw/zinc/47/59/79/564475979.db2.gz YIABIOGNMMTAIN-SJLPKXTDSA-N 1 0 378.314 2.630 20 0 GFADRO O[C@@H]1COC[C@H]1[NH2+]Cc1ccc(OCc2ccccc2)c(Br)c1 ZINC000515461993 564480237 /nfs/dbraw/zinc/48/02/37/564480237.db2.gz KMABVPROYCUAAR-IAGOWNOFSA-N 1 0 378.266 2.877 20 0 GFADRO C[C@H]([NH2+]C[C@H](C)C(F)(F)F)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000480662883 564481628 /nfs/dbraw/zinc/48/16/28/564481628.db2.gz KTMNHYNSIJJQRC-STQMWFEESA-N 1 0 380.432 2.557 20 0 GFADRO Cc1cc(F)c(Br)cc1S(=O)(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000480694188 564482226 /nfs/dbraw/zinc/48/22/26/564482226.db2.gz FLNCTUGEHFHVHL-SMDDNHRTSA-N 1 0 391.306 2.611 20 0 GFADRO CC[NH+](CC)C[C@@H](C)NS(=O)(=O)c1cnn(-c2ccc(Cl)cc2)c1C ZINC000480694436 564482676 /nfs/dbraw/zinc/48/26/76/564482676.db2.gz PGAISFCEROOMDE-CYBMUJFWSA-N 1 0 384.933 2.843 20 0 GFADRO CC(C)[N@@H+]1CCCN(C(=O)c2cnc3ccc(Br)cc3c2O)CC1 ZINC000515588966 564482940 /nfs/dbraw/zinc/48/29/40/564482940.db2.gz UBFRQWQUZMYGJB-UHFFFAOYSA-N 1 0 392.297 2.847 20 0 GFADRO Cc1cc(F)c(Br)cc1S(=O)(=O)N1CCC[C@@H]1C[NH+](C)C ZINC000480701152 564483253 /nfs/dbraw/zinc/48/32/53/564483253.db2.gz FCGLDBFNPDYLFK-LLVKDONJSA-N 1 0 379.295 2.611 20 0 GFADRO O=C(NCCC1=CC[NH2+]CC1)N1CCOc2ccc(Br)cc2C1 ZINC000515620985 564483890 /nfs/dbraw/zinc/48/38/90/564483890.db2.gz RIBUQVUOXPFBAF-UHFFFAOYSA-N 1 0 380.286 2.663 20 0 GFADRO O=C(NCCCS(=O)(=O)c1ccc(Cl)cc1)c1ccc2c[nH+]cn2c1 ZINC000515701819 564485512 /nfs/dbraw/zinc/48/55/12/564485512.db2.gz PCZNWVPHUDFGOR-UHFFFAOYSA-N 1 0 377.853 2.582 20 0 GFADRO [NH3+][C@@H]1CCCC[C@H]1NC(=O)Nc1ccc(I)cc1F ZINC000570057684 564489334 /nfs/dbraw/zinc/48/93/34/564489334.db2.gz BTPDENBPTREMTI-ZYHUDNBSSA-N 1 0 377.201 2.822 20 0 GFADRO Cc1c(C[N@H+](C)C[C@@H](O)COc2cc(F)cc(Br)c2)cnn1C ZINC000570075889 564490227 /nfs/dbraw/zinc/49/02/27/564490227.db2.gz DFRJXWBVJSYCGN-OAHLLOKOSA-N 1 0 386.265 2.502 20 0 GFADRO CC(C)(C)[N@@H+]1C[C@@H](C(=O)N2CCO[C@]3(CCSC3)C2)[C@H](C(F)(F)F)C1 ZINC000570164934 564494528 /nfs/dbraw/zinc/49/45/28/564494528.db2.gz YYPNEAGOQHNIAF-XJKCOSOUSA-N 1 0 380.476 2.630 20 0 GFADRO C[NH+](C)C(C)(C)CNC(=O)C(=O)Nc1ccc(OC(F)(F)F)c(Cl)c1 ZINC000570159691 564494647 /nfs/dbraw/zinc/49/46/47/564494647.db2.gz KADFWIVCUFIDLI-UHFFFAOYSA-N 1 0 381.782 2.634 20 0 GFADRO CO[C@@H]1CCN(C(=O)CSc2ccc(Br)cc2C)[C@H](C[NH3+])C1 ZINC000516174405 564495060 /nfs/dbraw/zinc/49/50/60/564495060.db2.gz FYLLJOJFSOPJSE-UONOGXRCSA-N 1 0 387.343 2.814 20 0 GFADRO O=C(NCCc1cc(Br)ccc1F)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000516167047 564495309 /nfs/dbraw/zinc/49/53/09/564495309.db2.gz VAPSIIPLLSQIEX-QGZVFWFLSA-N 1 0 384.293 2.916 20 0 GFADRO O=S(=O)(CCO)c1ccc(C[NH2+]Cc2cnc(-c3ccsc3)s2)cc1 ZINC000480911235 564495430 /nfs/dbraw/zinc/49/54/30/564495430.db2.gz PHOGKGFYBOVVLB-UHFFFAOYSA-N 1 0 394.543 2.927 20 0 GFADRO CC(C)[NH2+]CCCNC(=O)C(=O)N[C@H](C)c1cc(F)c(Cl)cc1Cl ZINC000516263469 564498195 /nfs/dbraw/zinc/49/81/95/564498195.db2.gz SBCLMFTUJPQHEI-SNVBAGLBSA-N 1 0 378.275 2.814 20 0 GFADRO Cc1cccc(NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C(C)C)C2)c1Br ZINC000454113619 564498841 /nfs/dbraw/zinc/49/88/41/564498841.db2.gz WEFBXQUTFRYZIK-CYBMUJFWSA-N 1 0 382.302 2.637 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C(C)C)C1 ZINC000454118267 564499749 /nfs/dbraw/zinc/49/97/49/564499749.db2.gz YQEPUNGJOPRPHN-HNNXBMFYSA-N 1 0 396.329 2.891 20 0 GFADRO O=C1NC(=O)C2(CCC([NH2+]Cc3cc4cc(Br)ccc4o3)CC2)N1 ZINC000570294463 564500201 /nfs/dbraw/zinc/50/02/01/564500201.db2.gz UYCDMHZEESXOGT-UHFFFAOYSA-N 1 0 392.253 2.806 20 0 GFADRO C[C@@H]1CCN(C(=O)N[C@H](c2cncc(Br)c2)C2CC2)C[C@@H]1C[NH3+] ZINC000570307133 564501167 /nfs/dbraw/zinc/50/11/67/564501167.db2.gz GYGFWEGALWFRCM-WPGHFRTFSA-N 1 0 381.318 2.922 20 0 GFADRO COc1cc(C(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc(OC)c1Br ZINC000516462746 564502428 /nfs/dbraw/zinc/50/24/28/564502428.db2.gz KBVBYOBTWQHDLP-OLZOCXBDSA-N 1 0 397.313 2.928 20 0 GFADRO C[C@@H]1CN(C(=O)Nc2ccc(OC(F)F)c(Cl)c2)C[C@H](C)N1CCO ZINC000454214866 564502908 /nfs/dbraw/zinc/50/29/08/564502908.db2.gz PQNJESUEPARWPR-PHIMTYICSA-N 1 0 377.819 2.860 20 0 GFADRO OC[C@@H](C[NH2+]C[C@@H](O)Cc1ccccc1)Cc1ccc(Br)cc1 ZINC000570396930 564503666 /nfs/dbraw/zinc/50/36/66/564503666.db2.gz YIMKOAATMRJBQD-MJGOQNOKSA-N 1 0 378.310 2.793 20 0 GFADRO CCn1c(CNC(=O)N(C)CCC[NH+](C)C)nc2cc(Br)ccc21 ZINC000516697993 564509882 /nfs/dbraw/zinc/50/98/82/564509882.db2.gz RYTUPUDQEQVTCL-UHFFFAOYSA-N 1 0 396.333 2.912 20 0 GFADRO CC(C)CCOc1ccc(S(=O)(=O)NC[C@]2([NH+](C)C)CCSC2)cc1 ZINC000481339696 564509988 /nfs/dbraw/zinc/50/99/88/564509988.db2.gz NHXWYXHXCCBWKV-GOSISDBHSA-N 1 0 386.583 2.827 20 0 GFADRO Cc1ccc(S(=O)(=O)NC[C@@]2([NH+](C)C)CCSC2)cc1C(F)(F)F ZINC000481333958 564510272 /nfs/dbraw/zinc/51/02/72/564510272.db2.gz CGYFIRCKMKKYQM-AWEZNQCLSA-N 1 0 382.473 2.729 20 0 GFADRO C[NH+](C)[C@]1(CNS(=O)(=O)Cc2ccccc2C(F)(F)F)CCSC1 ZINC000481348586 564510720 /nfs/dbraw/zinc/51/07/20/564510720.db2.gz ZHWDVFVCVQVLOA-AWEZNQCLSA-N 1 0 382.473 2.562 20 0 GFADRO CCCC[N@H+](C)C[C@H](C)NC(=O)CSc1nnc(-c2cccs2)n1C ZINC000570604614 564513327 /nfs/dbraw/zinc/51/33/27/564513327.db2.gz SESGFJJZHYVAJJ-ZDUSSCGKSA-N 1 0 381.571 2.872 20 0 GFADRO Cn1cc(Cl)c(CNC(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)n1 ZINC000516850023 564513745 /nfs/dbraw/zinc/51/37/45/564513745.db2.gz RZYPKZLCCPTESU-CYBMUJFWSA-N 1 0 381.933 2.846 20 0 GFADRO C[C@@H](CN1CCCCC1)[NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000570675715 564516050 /nfs/dbraw/zinc/51/60/50/564516050.db2.gz SQEFDRLACPVYSG-XJKSGUPXSA-N 1 0 389.309 2.792 20 0 GFADRO C[C@@H](CNC(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1)Oc1ccccc1Br ZINC000454629052 564517054 /nfs/dbraw/zinc/51/70/54/564517054.db2.gz XNQXLGGSPRCVCK-KCQAQPDRSA-N 1 0 382.302 2.562 20 0 GFADRO CCOCC[C@@H](O)C[NH2+]Cc1ccc(I)c(Cl)c1 ZINC000516922116 564517062 /nfs/dbraw/zinc/51/70/62/564517062.db2.gz JIGQRQNRFLIYFS-LLVKDONJSA-N 1 0 383.657 2.822 20 0 GFADRO CC[NH+](CC)[C@@H](CNC(=O)NCc1nn(C)cc1Br)CC(C)C ZINC000454628219 564517384 /nfs/dbraw/zinc/51/73/84/564517384.db2.gz YDXDFZAPFKFUKI-CYBMUJFWSA-N 1 0 388.354 2.738 20 0 GFADRO CC(C)(CNC(=O)c1cncc(I)c1)C[NH+]1CCCC1 ZINC000481610634 564517616 /nfs/dbraw/zinc/51/76/16/564517616.db2.gz QVIUFBADWRPSCI-UHFFFAOYSA-N 1 0 387.265 2.538 20 0 GFADRO CC(=O)c1cc(Br)ccc1OCC(=O)N1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000570696280 564518233 /nfs/dbraw/zinc/51/82/33/564518233.db2.gz KQDUQXADFNSMJX-LSDHHAIUSA-N 1 0 395.297 2.726 20 0 GFADRO COc1c(Cl)cc(NC(=O)NC[C@H]2CCC[N@@H+]2CCCO)cc1Cl ZINC000454680832 564518614 /nfs/dbraw/zinc/51/86/14/564518614.db2.gz RYNSMDHLGIBJKW-GFCCVEGCSA-N 1 0 376.284 2.970 20 0 GFADRO O=C(NCC1(c2ccc(Br)cc2)CCCC1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000516959795 564518748 /nfs/dbraw/zinc/51/87/48/564518748.db2.gz UIDKDQOJWZSKOQ-ZSHCYNCHSA-N 1 0 378.314 2.778 20 0 GFADRO CC[C@H]([NH2+][C@H]1CN(C2CC2)C[C@H]1C)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000481665783 564519074 /nfs/dbraw/zinc/51/90/74/564519074.db2.gz DJNPDPTZQCEIOI-DQYPLSBCSA-N 1 0 385.961 2.772 20 0 GFADRO C[C@@H](CNC(=O)c1ccc(I)cn1)[N@@H+]1CCCC[C@@H]1C ZINC000454709497 564519915 /nfs/dbraw/zinc/51/99/15/564519915.db2.gz IAGUJGKNMOYVJG-RYUDHWBXSA-N 1 0 387.265 2.679 20 0 GFADRO Cc1cc(Br)c(S(=O)(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)s1 ZINC000516970235 564520198 /nfs/dbraw/zinc/52/01/98/564520198.db2.gz DLIQRTNQETWTCR-VXGBXAGGSA-N 1 0 393.372 2.829 20 0 GFADRO C[N@@H+]1CC[C@@]2(CCN(C(=O)Nc3nnc(-c4cccc(Cl)c4)s3)C2)C1 ZINC000570775137 564520479 /nfs/dbraw/zinc/52/04/79/564520479.db2.gz GCRPBQWFSBUXAJ-QGZVFWFLSA-N 1 0 377.901 3.418 20 0 GFADRO CCS(=O)(=O)NCC[NH2+][C@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000481747092 564521552 /nfs/dbraw/zinc/52/15/52/564521552.db2.gz GOSKRPWUEGDADK-AWEZNQCLSA-N 1 0 379.295 2.568 20 0 GFADRO CN(C(=O)Nc1ccnn1Cc1ccc(Br)cc1)[C@@H]1CC[NH2+]C1 ZINC000570811258 564522202 /nfs/dbraw/zinc/52/22/02/564522202.db2.gz DIFRALGUHQXTLY-CQSZACIVSA-N 1 0 378.274 2.520 20 0 GFADRO O=C(CC[NH2+]C[C@H](O)COc1ccc(Br)cc1)Nc1ccccc1 ZINC000570837639 564523490 /nfs/dbraw/zinc/52/34/90/564523490.db2.gz VTZWRDCWUIKXES-INIZCTEOSA-N 1 0 393.281 2.807 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000517115798 564524208 /nfs/dbraw/zinc/52/42/08/564524208.db2.gz BDQRRCLOHHFUIE-UHFFFAOYSA-N 1 0 394.313 2.783 20 0 GFADRO COc1ccc(S(=O)(=O)Nc2cc[nH+]c(N(C)C)c2)c(Br)c1 ZINC000481822990 564525488 /nfs/dbraw/zinc/52/54/88/564525488.db2.gz IZOCOFHQLOYRKH-UHFFFAOYSA-N 1 0 386.271 2.720 20 0 GFADRO COC(=O)c1cc(CN(C)CC(=O)Nc2ccc(Br)cn2)c(C)o1 ZINC000517134171 564525474 /nfs/dbraw/zinc/52/54/74/564525474.db2.gz QBLISVXGNASLKC-UHFFFAOYSA-N 1 0 396.241 2.603 20 0 GFADRO COCC[NH2+]C1CCN(C(=O)NCCOc2ccc(Cl)c(Cl)c2)CC1 ZINC000517240333 564528822 /nfs/dbraw/zinc/52/88/22/564528822.db2.gz CYUDKSOFIMPDKI-UHFFFAOYSA-N 1 0 390.311 2.782 20 0 GFADRO CC[C@@H]([NH2+]CCN1CC=C(C)CC1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000482004006 564531430 /nfs/dbraw/zinc/53/14/30/564531430.db2.gz HVBXTZLIKZGWCL-QGZVFWFLSA-N 1 0 385.961 2.941 20 0 GFADRO C[C@@H]1CN(C(=O)Nc2cccc(F)c2I)C[C@H](C)[N@H+]1C ZINC000455020945 564532528 /nfs/dbraw/zinc/53/25/28/564532528.db2.gz IWRMCIYXGBTYOI-AOOOYVTPSA-N 1 0 391.228 2.987 20 0 GFADRO C[NH+](C)CCCOC1CCN(C(=O)C(=O)c2ccc(Br)cc2)CC1 ZINC000482027126 564532730 /nfs/dbraw/zinc/53/27/30/564532730.db2.gz RWDADDYVJNVLSB-UHFFFAOYSA-N 1 0 397.313 2.591 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cc3cc(Br)ccc3[nH]2)CC1 ZINC000517387818 564533138 /nfs/dbraw/zinc/53/31/38/564533138.db2.gz LZXKNTWNXJADDX-PBHICJAKSA-N 1 0 392.297 2.899 20 0 GFADRO O=S1(=O)CC[C@H]([NH2+][C@@H]2CCc3c[nH]nc3C2)c2cc(Br)ccc21 ZINC000548154472 564533302 /nfs/dbraw/zinc/53/33/02/564533302.db2.gz HVOLVTGCCDKJKZ-OCCSQVGLSA-N 1 0 396.310 2.538 20 0 GFADRO Cc1csc(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)c1I ZINC000571044205 564533534 /nfs/dbraw/zinc/53/35/34/564533534.db2.gz NBRJIJSGKQFDFW-AOOOYVTPSA-N 1 0 376.263 2.628 20 0 GFADRO CN1CCN(C(=O)CC[NH+]2CCC(c3ccc(Br)cc3)CC2)CC1 ZINC000571063265 564534649 /nfs/dbraw/zinc/53/46/49/564534649.db2.gz ASLSLUGCEPQMCO-UHFFFAOYSA-N 1 0 394.357 2.793 20 0 GFADRO O=C(NCCNc1cc[nH+]cc1)N[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000517486805 564535832 /nfs/dbraw/zinc/53/58/32/564535832.db2.gz NZHDZOXSZFPDSX-JKSUJKDBSA-N 1 0 375.270 2.533 20 0 GFADRO C[NH+](C)Cc1cccc(C(=O)NCC(=O)Nc2cccc(Br)c2)c1 ZINC000482144310 564535967 /nfs/dbraw/zinc/53/59/67/564535967.db2.gz UWMNNLOMTHCVHN-UHFFFAOYSA-N 1 0 390.281 2.879 20 0 GFADRO CSc1ncc(Cl)c(C(=O)Nc2cccc(C[N@@H+]3CC[C@@H](O)C3)c2)n1 ZINC000571116223 564536200 /nfs/dbraw/zinc/53/62/00/564536200.db2.gz VTKDUZTXDNSQQO-CYBMUJFWSA-N 1 0 378.885 2.671 20 0 GFADRO O=C(CCOc1ccc(Cl)c(Cl)c1)NCCCC[NH+]1CCOCC1 ZINC000517863568 564543289 /nfs/dbraw/zinc/54/32/89/564543289.db2.gz CVCAOXZLAMIRIR-UHFFFAOYSA-N 1 0 375.296 2.991 20 0 GFADRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cnn(-c3ccc(Br)cc3)c2)[C@@H]1OC ZINC000482506398 564543788 /nfs/dbraw/zinc/54/37/88/564543788.db2.gz HXRNWPDJXSOMFP-ZACQAIPSSA-N 1 0 380.286 2.917 20 0 GFADRO O=C(CC[N@@H+]1C[C@H](O)C[C@H]1[C@@H]1CCCOC1)Nc1cccc(Br)c1 ZINC000571274440 564543894 /nfs/dbraw/zinc/54/38/94/564543894.db2.gz JLOOWBQTIBXXHW-XYPHTWIQSA-N 1 0 397.313 2.640 20 0 GFADRO C[NH+](C)[C@@H]1CCCN(C(=O)c2ccc(I)c(F)c2)C1 ZINC000518032053 564544864 /nfs/dbraw/zinc/54/48/64/564544864.db2.gz QPQMAYUFZQODDR-LLVKDONJSA-N 1 0 376.213 2.597 20 0 GFADRO C[C@H](NC(=O)NC[C@H](c1ccsc1)[NH+](C)C)c1ncc(Br)cn1 ZINC000571311448 564545967 /nfs/dbraw/zinc/54/59/67/564545967.db2.gz JZKYTRJWSPZYRT-GXFFZTMASA-N 1 0 398.330 2.964 20 0 GFADRO CO[C@@H]1CCN(C(=O)c2cc3c(cc(Br)cc3F)[nH]2)[C@H](C[NH3+])C1 ZINC000571341713 564547677 /nfs/dbraw/zinc/54/76/77/564547677.db2.gz VIQSNYKZXQRHMA-WDEREUQCSA-N 1 0 384.249 2.648 20 0 GFADRO C[C@H](C[C@H](C)[NH3+])NC(=O)NCc1c(Br)cncc1Br ZINC000519395712 564576798 /nfs/dbraw/zinc/57/67/98/564576798.db2.gz ACQPMKAQHWOEAB-JGVFFNPUSA-N 1 0 394.111 2.532 20 0 GFADRO CCN(CC)c1nc2sc(C(=O)N3CC[C@H](OC)C[C@H]3C[NH3+])cc2s1 ZINC000571449534 564552104 /nfs/dbraw/zinc/55/21/04/564552104.db2.gz UVDRYXNNWQJMHZ-RYUDHWBXSA-N 1 0 382.555 2.782 20 0 GFADRO C[C@H](NC(=O)CN1[C@@H]2CC[C@H]1CC[N@@H+](C)C2)c1ccc(Br)cc1 ZINC000518393339 564552224 /nfs/dbraw/zinc/55/22/24/564552224.db2.gz CZCVZFPOKBYKNB-RRQGHBQHSA-N 1 0 380.330 2.795 20 0 GFADRO Cc1ccc(Br)cc1S(=O)(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000518375696 564552421 /nfs/dbraw/zinc/55/24/21/564552421.db2.gz SEBKRXSZRPZZNL-KGLIPLIRSA-N 1 0 387.343 2.768 20 0 GFADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000455481499 564556188 /nfs/dbraw/zinc/55/61/88/564556188.db2.gz XHBNOQPGLUZVNW-IXDOHACOSA-N 1 0 381.314 2.780 20 0 GFADRO Cc1csc(C(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)c1I ZINC000571558352 564556759 /nfs/dbraw/zinc/55/67/59/564556759.db2.gz VZFUXOQBVRGIHQ-UWVGGRQHSA-N 1 0 378.279 2.861 20 0 GFADRO C[N@@H+]1CCC[C@@H](CNC(=O)c2cc(F)ccc2I)C1 ZINC000518659487 564559906 /nfs/dbraw/zinc/55/99/06/564559906.db2.gz OGBCUWYYEHHLQQ-JTQLQIEISA-N 1 0 376.213 2.502 20 0 GFADRO CC[C@H](O)[C@H](CC)[NH2+]C[C@H](O)COc1ccc(Cl)cc1Br ZINC000571681959 564561822 /nfs/dbraw/zinc/56/18/22/564561822.db2.gz RKDLUKCZKLDFEI-UBHSHLNASA-N 1 0 380.710 2.981 20 0 GFADRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)Nc1nc(CC(F)(F)F)cs1 ZINC000455680859 564563490 /nfs/dbraw/zinc/56/34/90/564563490.db2.gz DXQWFDVUPBCUJE-JTQLQIEISA-N 1 0 380.436 2.557 20 0 GFADRO [NH3+]C[C@H]1CCCN(C(=O)Nc2ccc(-c3ccc(Br)s3)nn2)C1 ZINC000571743395 564564464 /nfs/dbraw/zinc/56/44/64/564564464.db2.gz GTMUWVWJTGBYFI-SNVBAGLBSA-N 1 0 396.314 3.170 20 0 GFADRO C[NH+](C)CC[C@@H](NC(=O)c1ccc(I)cn1)C(C)(C)C ZINC000455696865 564565447 /nfs/dbraw/zinc/56/54/47/564565447.db2.gz IMECKPXVZCKNDM-CYBMUJFWSA-N 1 0 389.281 2.782 20 0 GFADRO C[C@@H]([NH2+]CC[C@@H]1CCNC1=O)c1nc(-c2ccc(Br)cc2)no1 ZINC000571773067 564566339 /nfs/dbraw/zinc/56/63/39/564566339.db2.gz YBWIGARYYHFKFD-ZYHUDNBSSA-N 1 0 379.258 2.676 20 0 GFADRO COCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](CCOc2cccc(Br)c2)C1 ZINC000519051719 564568486 /nfs/dbraw/zinc/56/84/86/564568486.db2.gz RGBCALALFUUUHL-CABCVRRESA-N 1 0 399.329 2.691 20 0 GFADRO O=S(=O)(c1cscn1)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000571878088 564570603 /nfs/dbraw/zinc/57/06/03/564570603.db2.gz NJUVHEALJKRYKG-UHFFFAOYSA-N 1 0 377.535 2.820 20 0 GFADRO Cc1ncc(Br)cc1NC(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1 ZINC000455795285 564571044 /nfs/dbraw/zinc/57/10/44/564571044.db2.gz GDHXIJXIQKJXIY-AWEZNQCLSA-N 1 0 385.306 2.727 20 0 GFADRO O=C(Nc1c[nH]cc(Br)c1=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000548745952 564572990 /nfs/dbraw/zinc/57/29/90/564572990.db2.gz ZVFALNAWTZJSQZ-UHFFFAOYSA-N 1 0 376.254 2.986 20 0 GFADRO CC[NH+]1CCC(CNC(=O)C(=O)Nc2cc(Br)c(C)cc2C)CC1 ZINC000519267939 564573327 /nfs/dbraw/zinc/57/33/27/564573327.db2.gz RQIURLCCPJHMJZ-UHFFFAOYSA-N 1 0 396.329 2.853 20 0 GFADRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)c1ccc(Cl)c(NS(C)(=O)=O)c1 ZINC000519359458 564575825 /nfs/dbraw/zinc/57/58/25/564575825.db2.gz WZMASEIGLWLAHZ-BETUJISGSA-N 1 0 387.933 2.704 20 0 GFADRO CC(C)(C)[N@@H+]1C[C@@H](C(=O)N(CCO)C2CCSCC2)[C@H](C(F)(F)F)C1 ZINC000519423556 564577042 /nfs/dbraw/zinc/57/70/42/564577042.db2.gz JVGNWXBUIORCAM-ZIAGYGMSSA-N 1 0 382.492 2.612 20 0 GFADRO OCCC1(C[NH2+]C[C@@H](O)COc2cc(F)cc(Br)c2)CCCC1 ZINC000572001545 564577335 /nfs/dbraw/zinc/57/73/35/564577335.db2.gz IKYIDLITONRNLY-OAHLLOKOSA-N 1 0 390.293 2.860 20 0 GFADRO C[C@@H]1CC[NH2+][C@@H](C)[C@H]1NC(=O)c1ccn(-c2cccc(Br)c2)n1 ZINC000572030237 564577975 /nfs/dbraw/zinc/57/79/75/564577975.db2.gz JKFTZEJYFVXKIY-WQGACYEGSA-N 1 0 377.286 2.751 20 0 GFADRO Cn1ccnc1[C@H]1C[C@H]([NH2+]Cc2cc3c(cc2Br)OCO3)CCO1 ZINC000519521594 564579726 /nfs/dbraw/zinc/57/97/26/564579726.db2.gz FRHRLHKNQQFKLA-MLGOLLRUSA-N 1 0 394.269 2.921 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)[C@@H]2CCCN2C(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000484087297 564581702 /nfs/dbraw/zinc/58/17/02/564581702.db2.gz HOFUXXCNAGDBRP-GHJWDPDVSA-N 1 0 384.307 2.794 20 0 GFADRO C[N@@H+]1CCC[C@@H](CNC(=O)N[C@@H]2CCN(c3cccc(Br)c3)C2)C1 ZINC000519577497 564581770 /nfs/dbraw/zinc/58/17/70/564581770.db2.gz RTFLXGVZBBWXJO-GOEBONIOSA-N 1 0 395.345 2.669 20 0 GFADRO O[C@@H](C[NH2+]CC1=CCOCC1)COc1ccc(Cl)cc1Br ZINC000572114244 564581779 /nfs/dbraw/zinc/58/17/79/564581779.db2.gz KAQHJMCNORBUGY-ZDUSSCGKSA-N 1 0 376.678 2.779 20 0 GFADRO C[C@H](CCO)C1(C[NH2+]C[C@H](O)COc2ccc(Br)cc2)CCC1 ZINC000572243230 564586585 /nfs/dbraw/zinc/58/65/85/564586585.db2.gz RHMYGGXLHONCIQ-ZBFHGGJFSA-N 1 0 386.330 2.967 20 0 GFADRO C[C@]1(C[NH2+]CCS(=O)(=O)c2cccc(Br)c2)CCCC[C@H]1O ZINC000572286146 564588010 /nfs/dbraw/zinc/58/80/10/564588010.db2.gz VCPGNLWJBODRDG-HZPDHXFCSA-N 1 0 390.343 2.754 20 0 GFADRO CCC[N@H+](C)C[C@@H]1CCN(Cc2ncc(I)s2)C1 ZINC000572323963 564589481 /nfs/dbraw/zinc/58/94/81/564589481.db2.gz BQXWIVMMAQGMDN-NSHDSACASA-N 1 0 379.311 2.911 20 0 GFADRO CC[C@@H]([NH3+])CNC(=O)Cc1ccc(NC(=O)c2ccc(Br)o2)cc1 ZINC000572362460 564591126 /nfs/dbraw/zinc/59/11/26/564591126.db2.gz MBXVUAJBKZLRRP-GFCCVEGCSA-N 1 0 394.269 2.690 20 0 GFADRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)[C@H](c1ccc(Br)cc1)N1CCCC1 ZINC000519825865 564592071 /nfs/dbraw/zinc/59/20/71/564592071.db2.gz NTSMUBDQBAYGOJ-CPUCHLNUSA-N 1 0 380.330 2.782 20 0 GFADRO CS[C@H]1CN(Cc2csc(CC(=O)OC(C)C)n2)C[C@@H]1[NH+]1CCCC1 ZINC000484632239 564592739 /nfs/dbraw/zinc/59/27/39/564592739.db2.gz LROSIEHSHUJQLS-HOTGVXAUSA-N 1 0 383.583 2.649 20 0 GFADRO C[C@H](CNC(=O)N1CC[C@H](C[NH+](C)C)C1)Oc1ccc(Br)cc1 ZINC000484713118 564595654 /nfs/dbraw/zinc/59/56/54/564595654.db2.gz XBMASZUNVXGNRA-ZIAGYGMSSA-N 1 0 384.318 2.810 20 0 GFADRO COc1cc(F)cc(C[NH2+]C[C@@H]2CCN(S(=O)(=O)c3cccs3)C2)c1 ZINC000572471554 564596415 /nfs/dbraw/zinc/59/64/15/564596415.db2.gz LPDSVJHXKPPDST-ZDUSSCGKSA-N 1 0 384.498 2.696 20 0 GFADRO Cc1cc(Br)cn2c(C[NH2+]C[C@@](C)(O)C(=O)OC(C)(C)C)cnc12 ZINC000484745018 564596492 /nfs/dbraw/zinc/59/64/92/564596492.db2.gz VXSSOCDWTFBTQZ-QGZVFWFLSA-N 1 0 398.301 2.588 20 0 GFADRO Cc1cc(S(N)(=O)=O)sc1C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000456255458 564597102 /nfs/dbraw/zinc/59/71/02/564597102.db2.gz CBJMILBIVQXCND-AWEZNQCLSA-N 1 0 379.507 2.505 20 0 GFADRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)Cn3cc(Br)ccc3=O)ccc21 ZINC000456289789 564599019 /nfs/dbraw/zinc/59/90/19/564599019.db2.gz XYRLFSMHLIQTQV-MRXNPFEDSA-N 1 0 390.281 2.798 20 0 GFADRO CC[N@H+](CCn1nc2ccccn2c1=O)Cc1cccc(Br)c1 ZINC000520183075 564599185 /nfs/dbraw/zinc/59/91/85/564599185.db2.gz FELHQYTTWJPAHH-UHFFFAOYSA-N 1 0 375.270 2.781 20 0 GFADRO CC[C@@H](OC)C(=O)Nc1cc(Br)ccc1N1CC[N@H+](C)C[C@H]1C ZINC000456361222 564602028 /nfs/dbraw/zinc/60/20/28/564602028.db2.gz CLJVYTYIVBPJFM-MLGOLLRUSA-N 1 0 384.318 2.953 20 0 GFADRO C[C@H]1C[N@H+](C)CCN1c1ccc(Br)cc1NC(=O)[C@@H]1CCCO1 ZINC000456369427 564603124 /nfs/dbraw/zinc/60/31/24/564603124.db2.gz MDYGVLJZOIYTEJ-LRDDRELGSA-N 1 0 382.302 2.707 20 0 GFADRO O=C(NCC[N@@H+]1CCCOCC1)N[C@H]1C[C@H](c2ccc(Br)cc2)C1 ZINC000572663687 564604606 /nfs/dbraw/zinc/60/46/06/564604606.db2.gz VAYBHJXFGHBTBM-JCNLHEQBSA-N 1 0 396.329 2.717 20 0 GFADRO CCC[NH+]1CCC(Nc2c(F)cc(S(N)(=O)=O)cc2Br)CC1 ZINC000572698656 564606098 /nfs/dbraw/zinc/60/60/98/564606098.db2.gz OLTQQEAMXXLMCF-UHFFFAOYSA-N 1 0 394.310 2.522 20 0 GFADRO O=S(=O)(CC[NH2+]CCC[C@@H]1CCOC1)c1cccc(Br)c1 ZINC000520569107 564608152 /nfs/dbraw/zinc/60/81/52/564608152.db2.gz UBMIZFNNBOFQHF-CYBMUJFWSA-N 1 0 376.316 2.629 20 0 GFADRO NC(=O)[C@H]([NH2+][C@@H]1CCO[C@@H](c2ccccn2)C1)c1ccc(Br)cc1 ZINC000572740531 564608510 /nfs/dbraw/zinc/60/85/10/564608510.db2.gz HTFSKKNVVHRRJH-DJIMGWMZSA-N 1 0 390.281 2.880 20 0 GFADRO C[C@H](CNC(=O)N[C@@H](C)c1ncc(Br)cn1)[N@@H+]1CCCC[C@H]1C ZINC000572819425 564611652 /nfs/dbraw/zinc/61/16/52/564611652.db2.gz YLKUTJUQLGOPOY-UPJWGTAASA-N 1 0 384.322 2.862 20 0 GFADRO C[C@@H](O)[C@H]1CCCC[N@@H+]1CC(=O)N(C)CCOc1ccc(Br)cc1 ZINC000520747175 564612320 /nfs/dbraw/zinc/61/23/20/564612320.db2.gz OOHBKULRYAZRJY-RHSMWYFYSA-N 1 0 399.329 2.522 20 0 GFADRO C[C@@H](NC(=O)C(=O)NCC1([NH+](C)C)CCCC1)c1ccc(Br)cc1 ZINC000549994574 564612920 /nfs/dbraw/zinc/61/29/20/564612920.db2.gz NLGJBGLXSZRPQO-CYBMUJFWSA-N 1 0 396.329 2.617 20 0 GFADRO O=C(NC1CCC(N2CC[NH2+]CC2)CC1)c1cnc(-c2ccsc2)s1 ZINC000520809954 564613669 /nfs/dbraw/zinc/61/36/69/564613669.db2.gz AJWCXGXESLNCBN-UHFFFAOYSA-N 1 0 376.551 2.818 20 0 GFADRO OC[C@]1([C@@H]([NH2+]C[C@H](O)COc2cc(Cl)ccc2Cl)C2CC2)CCCO1 ZINC000550141237 564616343 /nfs/dbraw/zinc/61/63/43/564616343.db2.gz QUAUVPDNKYWYRJ-WBAXXEDZSA-N 1 0 390.307 2.643 20 0 GFADRO CC[C@@H]([NH2+]C[C@H]1CCCCN1S(=O)(=O)N(C)C)c1ccc(F)cc1F ZINC000572948004 564616609 /nfs/dbraw/zinc/61/66/09/564616609.db2.gz IPTUARHAXJVBKX-RHSMWYFYSA-N 1 0 375.485 2.666 20 0 GFADRO CN(CC(=O)Nc1ccccc1Br)C(=O)CC1CC[NH+](C)CC1 ZINC000485577871 564620446 /nfs/dbraw/zinc/62/04/46/564620446.db2.gz LPIHZNTXIVEVCQ-UHFFFAOYSA-N 1 0 382.302 2.578 20 0 GFADRO O=C(Nc1cnn(-c2ccccc2Br)c1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000573187680 564625967 /nfs/dbraw/zinc/62/59/67/564625967.db2.gz DMZFZMVJDAIGEB-OLZOCXBDSA-N 1 0 390.285 2.993 20 0 GFADRO C[C@@H](CNC(=O)c1ccccc1-n1cc(Br)cn1)[NH+]1CCCC1 ZINC000573174547 564626461 /nfs/dbraw/zinc/62/64/61/564626461.db2.gz OGQATTHHMHXADV-ZDUSSCGKSA-N 1 0 377.286 2.849 20 0 GFADRO CC(=O)N1CC[C@@H](C[N@@H+](C)Cc2nc3ccc(Br)cc3n2C)C1 ZINC000485834092 564627460 /nfs/dbraw/zinc/62/74/60/564627460.db2.gz MZTVSYPPPFTNKT-ZDUSSCGKSA-N 1 0 379.302 2.636 20 0 GFADRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2c(Cl)cc(F)cc2Cl)CC12CCOCC2 ZINC000573206207 564628593 /nfs/dbraw/zinc/62/85/93/564628593.db2.gz ZXZXQMFBFWREEZ-SNVBAGLBSA-N 1 0 397.299 2.509 20 0 GFADRO CN(CC[NH+]1CCCC1)S(=O)(=O)Cc1ccc(Cl)cc1Br ZINC000485902485 564630886 /nfs/dbraw/zinc/63/08/86/564630886.db2.gz WTIRFYOCWCUKMO-UHFFFAOYSA-N 1 0 395.750 2.960 20 0 GFADRO COc1ccc(C[NH2+]C[C@@H](O)COc2cccc(Br)c2)cc1O ZINC000521613715 564631628 /nfs/dbraw/zinc/63/16/28/564631628.db2.gz YFAJWQBUMHWQOY-CQSZACIVSA-N 1 0 382.254 2.693 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NCc2cccc(Cl)c2Cl)C[C@H]1C ZINC000550814790 564632336 /nfs/dbraw/zinc/63/23/36/564632336.db2.gz YQFVNBONJRPMDM-TZMCWYRMSA-N 1 0 386.323 2.941 20 0 GFADRO COc1cc(Br)c(Cl)cc1C(=O)NC[C@@](C)(O)CC[NH+](C)C ZINC000521629701 564632447 /nfs/dbraw/zinc/63/24/47/564632447.db2.gz PSGJRWQDLDTXNU-HNNXBMFYSA-N 1 0 393.709 2.544 20 0 GFADRO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+][C@@H]1CCN(Cc2ccccc2)C1 ZINC000550892867 564633919 /nfs/dbraw/zinc/63/39/19/564633919.db2.gz UFWOVFVETMMZSU-MAUKXSAKSA-N 1 0 390.325 2.863 20 0 GFADRO CC[C@@H](Cn1cncn1)[NH2+]Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000550902023 564634013 /nfs/dbraw/zinc/63/40/13/564634013.db2.gz PESKHNFBNGAKSZ-HNNXBMFYSA-N 1 0 375.274 2.795 20 0 GFADRO CC1=CCN(CC[NH2+]C[C@H](O)COc2cc(F)cc(Br)c2)CC1 ZINC000573359941 564634618 /nfs/dbraw/zinc/63/46/18/564634618.db2.gz UIOZLJXEJPYMED-INIZCTEOSA-N 1 0 387.293 2.570 20 0 GFADRO CCCS(=O)(=O)CC(=O)Nc1cc(Cl)ccc1OC1CC[NH+](C)CC1 ZINC000456794678 564634979 /nfs/dbraw/zinc/63/49/79/564634979.db2.gz RYHVKIXIBIKSPX-UHFFFAOYSA-N 1 0 388.917 2.576 20 0 GFADRO C[C@@H](CNS(=O)(=O)c1ccccc1Br)[NH+]1CCC(C)CC1 ZINC000521707058 564635234 /nfs/dbraw/zinc/63/52/34/564635234.db2.gz LODXPWLNYFIXGS-ZDUSSCGKSA-N 1 0 375.332 2.848 20 0 GFADRO C[C@@H]([NH2+]C(C)(C)CNC(=O)Cn1cc(Br)cn1)c1ccccc1 ZINC000521851268 564637444 /nfs/dbraw/zinc/63/74/44/564637444.db2.gz QLFLSSSMSWYKMF-CYBMUJFWSA-N 1 0 379.302 2.891 20 0 GFADRO O=C(COC1CC[NH2+]CC1)N1CCO[C@H](c2cc(F)c(Cl)cc2Cl)C1 ZINC000521859079 564637527 /nfs/dbraw/zinc/63/75/27/564637527.db2.gz YUCNFVLOYZVLBJ-INIZCTEOSA-N 1 0 391.270 2.801 20 0 GFADRO CO[C@H]1CC[N@H+](Cc2cc(=O)n3cc(Br)ccc3n2)CC1(C)C ZINC000521971550 564640728 /nfs/dbraw/zinc/64/07/28/564640728.db2.gz SJWXFNVVSSTLDI-AWEZNQCLSA-N 1 0 380.286 2.704 20 0 GFADRO Cc1c(Br)cc(C[NH2+]C[C@@]2(O)CCOC2)cc1Br ZINC000551245109 564643973 /nfs/dbraw/zinc/64/39/73/564643973.db2.gz SWZXJLBKOFVDDX-ZDUSSCGKSA-N 1 0 379.092 2.761 20 0 GFADRO COc1ccc(NC(=O)NCCCC[NH+]2CCN(C)CC2)cc1Br ZINC000522133557 564644797 /nfs/dbraw/zinc/64/47/97/564644797.db2.gz KEANGMPRDKZIGT-UHFFFAOYSA-N 1 0 399.333 2.607 20 0 GFADRO C[C@H](NC(=O)c1ccc(Br)cc1)C(=O)NCC[N@@H+]1CCCC1(C)C ZINC000457068568 564645301 /nfs/dbraw/zinc/64/53/01/564645301.db2.gz DQAMKSWJJACRNI-ZDUSSCGKSA-N 1 0 396.329 2.558 20 0 GFADRO CS(=O)(=O)[C@@H]1CCC[C@@H]([NH2+]Cc2cc(Cl)ccc2N2CCOCC2)C1 ZINC000551302975 564645839 /nfs/dbraw/zinc/64/58/39/564645839.db2.gz ZLSPHFISMIKXCD-IAGOWNOFSA-N 1 0 386.945 2.622 20 0 GFADRO O=C(CC[NH2+][C@H](CO)Cc1ccccc1)Nc1cccc(Br)c1 ZINC000573609082 564645915 /nfs/dbraw/zinc/64/59/15/564645915.db2.gz SLCCBQCALJJTHD-KRWDZBQOSA-N 1 0 377.282 2.971 20 0 GFADRO C[C@@H]1CN(Cc2cc(C(F)(F)F)ccc2Br)CC[N@@H+]1CCO ZINC000573617211 564646456 /nfs/dbraw/zinc/64/64/56/564646456.db2.gz WWMLYHDYXMWDCY-LLVKDONJSA-N 1 0 381.236 2.966 20 0 GFADRO C[NH+]1CCC(CNC(=O)c2ccc(-n3cc(Br)cn3)cc2)CC1 ZINC000522240220 564648335 /nfs/dbraw/zinc/64/83/35/564648335.db2.gz GILRRTNGKYTHID-UHFFFAOYSA-N 1 0 377.286 2.706 20 0 GFADRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1cc(I)c[nH]1 ZINC000522364972 564650253 /nfs/dbraw/zinc/65/02/53/564650253.db2.gz GZPSRJQEJLNACI-GRYCIOLGSA-N 1 0 389.281 2.716 20 0 GFADRO C[N@H+](CCCCNC(=O)Cc1ccccc1I)C1CC1 ZINC000457172212 564650465 /nfs/dbraw/zinc/65/04/65/564650465.db2.gz UATPNSLPDTUYAF-UHFFFAOYSA-N 1 0 386.277 2.824 20 0 GFADRO CCCC[N@H+](C)CCNC(=O)C(=O)Nc1cc(Cl)c(OC)c(Cl)c1 ZINC000522772455 564655598 /nfs/dbraw/zinc/65/55/98/564655598.db2.gz FZXMWEZABNXOTE-UHFFFAOYSA-N 1 0 376.284 2.789 20 0 GFADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)Nc1ccc(OC)c(Br)c1 ZINC000522783382 564656900 /nfs/dbraw/zinc/65/69/00/564656900.db2.gz NBLAYSPSIKWGEZ-ZDUSSCGKSA-N 1 0 386.290 2.690 20 0 GFADRO C[C@@H](NS(=O)(=O)c1cncc(Cl)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000486595580 564657432 /nfs/dbraw/zinc/65/74/32/564657432.db2.gz OUKUTEZEBDDAAO-ZBFHGGJFSA-N 1 0 379.913 2.924 20 0 GFADRO [NH3+]CC[C@H]1CCCCN1S(=O)(=O)c1ccc(Cl)cc1Br ZINC000573920631 564659656 /nfs/dbraw/zinc/65/96/56/564659656.db2.gz RBXNUQJGNYDTPE-LLVKDONJSA-N 1 0 381.723 2.995 20 0 GFADRO C[N@@H+]1CCC[C@H](CCNC(=O)NCC(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000457434964 564660798 /nfs/dbraw/zinc/66/07/98/564660798.db2.gz FNSYFAACCBHYAV-GFCCVEGCSA-N 1 0 387.311 2.963 20 0 GFADRO CCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCC(n2cc(Br)cn2)CC1 ZINC000573949132 564661686 /nfs/dbraw/zinc/66/16/86/564661686.db2.gz AMXDSUAOIHEVOU-INIZCTEOSA-N 1 0 398.349 2.867 20 0 GFADRO [NH3+]C1CCC(OCC(=O)NCC2(c3cccc(Br)c3)CC2)CC1 ZINC000573961702 564661914 /nfs/dbraw/zinc/66/19/14/564661914.db2.gz XFWWUFVZIFREPG-UHFFFAOYSA-N 1 0 381.314 2.883 20 0 GFADRO Cn1ccnc1[C@H]1CC[N@H+](CC(=O)NCCc2cccc(Cl)c2Cl)C1 ZINC000573979745 564662699 /nfs/dbraw/zinc/66/26/99/564662699.db2.gz SUJBZUAJOIPILA-AWEZNQCLSA-N 1 0 381.307 2.875 20 0 GFADRO CSC1(CNC(=O)c2ccc3c(c2)NC(=O)[C@@H](C)S3)CC[NH+](C)CC1 ZINC000551871165 564666450 /nfs/dbraw/zinc/66/64/50/564666450.db2.gz GZBAOVDUWRHYLO-GFCCVEGCSA-N 1 0 379.551 2.677 20 0 GFADRO O=C(NCc1ccc(C[NH+]2CCC(O)CC2)cc1)c1cc(Br)co1 ZINC000457593471 564666442 /nfs/dbraw/zinc/66/64/42/564666442.db2.gz YTYOWLNCBQNGTK-UHFFFAOYSA-N 1 0 393.281 2.929 20 0 GFADRO CCNC(=O)C1(C[NH2+]Cc2cn(-c3ccc(Cl)cc3Cl)nn2)CCC1 ZINC000486867363 564669072 /nfs/dbraw/zinc/66/90/72/564669072.db2.gz PCQLBNBQCFYUMV-UHFFFAOYSA-N 1 0 382.295 2.970 20 0 GFADRO Brc1ccccc1-n1cc(CN[C@H]2CC[N@@H+]3CCCC[C@@H]23)nn1 ZINC000574123902 564670134 /nfs/dbraw/zinc/67/01/34/564670134.db2.gz XWIOLJRBKVLXEG-RDJZCZTQSA-N 1 0 376.302 2.746 20 0 GFADRO CC[NH+](CC)CC[C@H](CO)NC(=O)Nc1cc(F)cc(Br)c1F ZINC000551954283 564670537 /nfs/dbraw/zinc/67/05/37/564670537.db2.gz WZLWJOJWCDZEGP-LLVKDONJSA-N 1 0 394.260 2.942 20 0 GFADRO O=C(NCC[C@@H]1CCC[NH2+]C1)Nc1ccnn1-c1ccc(Br)cn1 ZINC000574175043 564670782 /nfs/dbraw/zinc/67/07/82/564670782.db2.gz ACJRFSSPSSEPBH-LBPRGKRZSA-N 1 0 393.289 2.541 20 0 GFADRO CCC1(CC)[C@H]([NH2+]C[C@H]2CCN(S(=O)(=O)c3cccs3)C2)C[C@@H]1OC ZINC000574180741 564670875 /nfs/dbraw/zinc/67/08/75/564670875.db2.gz HSRCAMMOIGMZCZ-OAGGEKHMSA-N 1 0 386.583 2.942 20 0 GFADRO C[NH+](C)C1(CNC(=O)NCCOc2cccc(Cl)c2Cl)CCOCC1 ZINC000523674264 564671204 /nfs/dbraw/zinc/67/12/04/564671204.db2.gz FNAHALYIMMXCOL-UHFFFAOYSA-N 1 0 390.311 2.782 20 0 GFADRO O=S(=O)(C1CC1)N1CCC[C@@H]([NH2+]Cc2cc(Cl)cc3cccnc32)C1 ZINC000552021968 564673214 /nfs/dbraw/zinc/67/32/14/564673214.db2.gz WLJYHYIETPNJGP-MRXNPFEDSA-N 1 0 379.913 2.934 20 0 GFADRO COc1c(Cl)cc(NC(=O)C(=O)N2CCC(C[NH+](C)C)CC2)cc1Cl ZINC000523925632 564674354 /nfs/dbraw/zinc/67/43/54/564674354.db2.gz HOZLHNDVERLLGA-UHFFFAOYSA-N 1 0 388.295 2.741 20 0 GFADRO O=C(CNCc1csc(-c2cccs2)n1)NCC[NH+]1CCCCCC1 ZINC000552064678 564675827 /nfs/dbraw/zinc/67/58/27/564675827.db2.gz HRCHLNUHCIOQQW-UHFFFAOYSA-N 1 0 378.567 2.953 20 0 GFADRO O=C(NCCc1cc(Br)ccc1F)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000574563376 564679436 /nfs/dbraw/zinc/67/94/36/564679436.db2.gz RPKYRXGPHYGLKX-OAHLLOKOSA-N 1 0 395.276 2.682 20 0 GFADRO O=C(NC[C@]1(N2CCOCC2)CCSC1)N1Cc2ccc(Cl)cc2C1 ZINC000457924575 564679747 /nfs/dbraw/zinc/67/97/47/564679747.db2.gz CSCRLPGMMWEIRQ-GOSISDBHSA-N 1 0 381.929 2.573 20 0 GFADRO COC(=O)C[C@](C)(NC(=O)[C@H]1C[N@H+](C)C[C@@H]1C)c1ccc(Br)cc1 ZINC000487311774 564682930 /nfs/dbraw/zinc/68/29/30/564682930.db2.gz UPSCXFVVEWQBRD-QITLCBANSA-N 1 0 397.313 2.541 20 0 GFADRO CC[NH+]1CCC(CNS(=O)(=O)c2cc(C)ccc2Br)CC1 ZINC000574658241 564683647 /nfs/dbraw/zinc/68/36/47/564683647.db2.gz BUANBBYHBURJTD-UHFFFAOYSA-N 1 0 375.332 2.768 20 0 GFADRO CC(C)C[N@@H+]1Cc2cccc(NC(=O)c3ccc(S(N)(=O)=O)s3)c2C1 ZINC000574710468 564685768 /nfs/dbraw/zinc/68/57/68/564685768.db2.gz ULDZKPIDWLDWMM-UHFFFAOYSA-N 1 0 379.507 2.619 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)N(CCO)Cc1cccc(Br)c1 ZINC000487397737 564685891 /nfs/dbraw/zinc/68/58/91/564685891.db2.gz OVBPYBULORYUDE-SJORKVTESA-N 1 0 396.329 2.580 20 0 GFADRO C[C@@H](C[NH+]1CCCCC1)NC(=O)N(CCO)Cc1cccc(Br)c1 ZINC000487394247 564686511 /nfs/dbraw/zinc/68/65/11/564686511.db2.gz JXCRDKFQLVQTRT-HNNXBMFYSA-N 1 0 398.345 2.827 20 0 GFADRO O=C(NC[C@@H]1CCC[NH2+]1)NCC1(c2ccc(Br)cc2)CCOCC1 ZINC000574741403 564686961 /nfs/dbraw/zinc/68/69/61/564686961.db2.gz CATNVHCYMQZMCF-INIZCTEOSA-N 1 0 396.329 2.549 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)N(CCO)Cc2cccc(Br)c2)C[N@@H+]1C1CC1 ZINC000487440299 564687778 /nfs/dbraw/zinc/68/77/78/564687778.db2.gz MEBZRKCODKKUKK-CZUORRHYSA-N 1 0 396.329 2.578 20 0 GFADRO Cc1cc(Br)cc2c1CN(C(=O)c1cc([C@H]3CC[NH2+]C3)n[nH]1)CC2 ZINC000574754224 564687911 /nfs/dbraw/zinc/68/79/11/564687911.db2.gz OUWOTHCQQZTDAH-ZDUSSCGKSA-N 1 0 389.297 2.756 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C(=O)N1C[C@H](C[NH3+])C[C@@H]1C ZINC000575044782 564691455 /nfs/dbraw/zinc/69/14/55/564691455.db2.gz YNNWIHPXLZGRJN-AAEUAGOBSA-N 1 0 377.286 2.753 20 0 GFADRO C[C@H]([NH3+])c1ccc(C(=O)N2CCN(c3ccc(Br)cn3)CC2)cc1 ZINC000575043103 564691582 /nfs/dbraw/zinc/69/15/82/564691582.db2.gz ICCWDZTXOFWZSD-ZDUSSCGKSA-N 1 0 389.297 2.826 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C(=O)N1C[C@@H](C[NH3+])C[C@@H]1C ZINC000575044784 564691661 /nfs/dbraw/zinc/69/16/61/564691661.db2.gz YNNWIHPXLZGRJN-WCQYABFASA-N 1 0 377.286 2.753 20 0 GFADRO CC[NH2+]CC1CCN(C(=O)[C@@](N)(c2cccc(Cl)c2)C(F)(F)F)CC1 ZINC000575044592 564691831 /nfs/dbraw/zinc/69/18/31/564691831.db2.gz HUKLOXPMMFINRE-INIZCTEOSA-N 1 0 377.838 2.904 20 0 GFADRO [NH3+]C[C@@H]1CC[C@H](NC(=O)[C@H](c2ccc(Cl)cc2Cl)N2CCOCC2)C1 ZINC000575122374 564692681 /nfs/dbraw/zinc/69/26/81/564692681.db2.gz LPIUCQKYVSRPSM-IFIJOSMWSA-N 1 0 386.323 2.610 20 0 GFADRO CN(CC[NH+]1CCCC1)C(=O)[C@@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1 ZINC000487617822 564692934 /nfs/dbraw/zinc/69/29/34/564692934.db2.gz CVVOUOQWTDCDKD-CYBMUJFWSA-N 1 0 384.307 2.901 20 0 GFADRO COCCN(Cc1ccc(Br)s1)C(=O)[C@@H]1C[N@H+](C)C[C@@H]1C ZINC000487617847 564693083 /nfs/dbraw/zinc/69/30/83/564693083.db2.gz NORLZEZRZQENMY-WCQYABFASA-N 1 0 375.332 2.683 20 0 GFADRO C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1CCC[C@@H]1c1cccc(Br)c1 ZINC000552501940 564693297 /nfs/dbraw/zinc/69/32/97/564693297.db2.gz LAIVZXGBXWHZBC-CZUORRHYSA-N 1 0 396.329 2.569 20 0 GFADRO Cn1cc(-c2nc(C(=O)N(CC[NH+](C)C)Cc3ccsc3)cs2)cn1 ZINC000458207818 564693382 /nfs/dbraw/zinc/69/33/82/564693382.db2.gz WWPHTGZODUFLPF-UHFFFAOYSA-N 1 0 375.523 2.809 20 0 GFADRO C[NH+](C)CCN(Cc1ccsc1)C(=O)Cc1cc[nH]c(=O)c1Br ZINC000458229916 564694464 /nfs/dbraw/zinc/69/44/64/564694464.db2.gz UKQPNIZLRIDCFU-UHFFFAOYSA-N 1 0 398.326 2.744 20 0 GFADRO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCN(Cc2cc(Br)ccc2F)CC1 ZINC000575300739 564695216 /nfs/dbraw/zinc/69/52/16/564695216.db2.gz YBRLRDVXCHGVCY-RDJZCZTQSA-N 1 0 398.320 2.621 20 0 GFADRO O=C(NC[C@H]1CCC[N@H+]1CCCO)N[C@@H]1CCc2c1cccc2Br ZINC000458285433 564697029 /nfs/dbraw/zinc/69/70/29/564697029.db2.gz SFVIRHCAEFKDKH-CXAGYDPISA-N 1 0 396.329 2.582 20 0 GFADRO C[NH+]1CCC(CNC(=O)NCCC(=O)Nc2cc(Cl)cc(Cl)c2)CC1 ZINC000458321738 564698111 /nfs/dbraw/zinc/69/81/11/564698111.db2.gz FHKIUIQYRAAXGZ-UHFFFAOYSA-N 1 0 387.311 2.963 20 0 GFADRO CC(C)C[C@@H](C[NH+](C)C)NC(=O)NCC(=O)Nc1cccc(Br)c1 ZINC000487902231 564699283 /nfs/dbraw/zinc/69/92/83/564699283.db2.gz XVCFFYHVBVMJFU-HNNXBMFYSA-N 1 0 399.333 2.663 20 0 GFADRO Cc1cc(Br)cn2cc(CCNC(=O)C[N@@H+]3CCC(C)(C)C3)nc12 ZINC000575428547 564699478 /nfs/dbraw/zinc/69/94/78/564699478.db2.gz YFWBZMKCTDGGPF-UHFFFAOYSA-N 1 0 393.329 2.796 20 0 GFADRO C[N@H+](CC(=O)N1CCN(c2cccc(Br)c2)CC1)[C@@H]1CCSC1 ZINC000552786052 564700960 /nfs/dbraw/zinc/70/09/60/564700960.db2.gz LLNNHZPVGYWKDK-MRXNPFEDSA-N 1 0 398.370 2.535 20 0 GFADRO O=C(N[C@H]1CC[N@@H+](C2CC2)C1)N1CCC[C@H]1c1ccc(Br)cn1 ZINC000458416263 564701014 /nfs/dbraw/zinc/70/10/14/564701014.db2.gz OYNRLNQCNRFOBZ-BBRMVZONSA-N 1 0 379.302 2.927 20 0 GFADRO CO[C@H]1C[NH+](Cc2ccnc(-c3ccc(Br)cc3)n2)C[C@@H]1OC ZINC000487997574 564701457 /nfs/dbraw/zinc/70/14/57/564701457.db2.gz FZGVVMWNOYKPKG-HOTGVXAUSA-N 1 0 378.270 2.752 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)NCc2nc3c(cccc3Br)[nH]2)CC[N@@H+]1C ZINC000458429460 564701845 /nfs/dbraw/zinc/70/18/45/564701845.db2.gz HAAKSXSQOHSSSA-GHMZBOCLSA-N 1 0 380.290 2.607 20 0 GFADRO CN(C)[C@]1(C[NH2+]CCS(=O)(=O)c2ccc(C(C)(C)C)cc2)CCSC1 ZINC000575741087 564702036 /nfs/dbraw/zinc/70/20/36/564702036.db2.gz LJFDJSDLHJNODP-IBGZPJMESA-N 1 0 384.611 2.785 20 0 GFADRO C[C@@H]([NH2+]CCNC(=O)c1ccc(Br)cc1)c1cc2n(n1)CCC2 ZINC000575691141 564702225 /nfs/dbraw/zinc/70/22/25/564702225.db2.gz YBKCOQQMECRLJI-GFCCVEGCSA-N 1 0 377.286 2.672 20 0 GFADRO C[C@H](CNC(=O)N1CC[C@@]2(CC[NH2+]C2)C1)Oc1ccc(Br)cc1 ZINC000575733717 564702282 /nfs/dbraw/zinc/70/22/82/564702282.db2.gz UMPPWLDIJVOOAD-CXAGYDPISA-N 1 0 382.302 2.611 20 0 GFADRO C[NH+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1CC(=O)Nc2ccc(Br)cc21 ZINC000575744075 564703163 /nfs/dbraw/zinc/70/31/63/564703163.db2.gz YBJMHCZAESBJJL-DZGCQCFKSA-N 1 0 394.313 2.818 20 0 GFADRO C[NH+](C)CCOC1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC000525601129 564703564 /nfs/dbraw/zinc/70/35/64/564703564.db2.gz OERLHBQNLKZGJS-UHFFFAOYSA-N 1 0 381.325 2.725 20 0 GFADRO COCCSCCC[N@H+](C)[C@H](C)c1ccc(N2CCCS2(=O)=O)cc1 ZINC000488083146 564703937 /nfs/dbraw/zinc/70/39/37/564703937.db2.gz OWIDRDZEWKJGTK-MRXNPFEDSA-N 1 0 386.583 2.989 20 0 GFADRO Cc1ccc(I)cc1NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC000576051684 564705782 /nfs/dbraw/zinc/70/57/82/564705782.db2.gz PXNWAIDFRRDTLB-UHFFFAOYSA-N 1 0 398.248 2.610 20 0 GFADRO CC(C)Cc1ncnc(N2CC[C@@H](C[NH+](C)C)C2)c1I ZINC000553062474 564707712 /nfs/dbraw/zinc/70/77/12/564707712.db2.gz VEOKMONWZWHZFU-LBPRGKRZSA-N 1 0 388.297 2.668 20 0 GFADRO C[C@H]1C[C@@H](NC(=O)c2ccc(-n3cc(Br)cn3)cc2)CC[N@@H+]1C ZINC000525766148 564708452 /nfs/dbraw/zinc/70/84/52/564708452.db2.gz UKHVWDOLDINEPY-WFASDCNBSA-N 1 0 377.286 2.847 20 0 GFADRO CCOC(=O)CC[C@@H](O)C[NH2+]CCc1c[nH]c2ccc(Br)cc12 ZINC000576221423 564708605 /nfs/dbraw/zinc/70/86/05/564708605.db2.gz ITTMBCACIQVTGK-CQSZACIVSA-N 1 0 383.286 2.767 20 0 GFADRO Cc1cccc(I)c1C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000576219742 564708670 /nfs/dbraw/zinc/70/86/70/564708670.db2.gz IMKHILVSOSSCCT-SGMGOOAPSA-N 1 0 384.261 2.799 20 0 GFADRO O=C(N[C@@H]1C[C@@H]1c1cccc(Br)c1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000525816350 564709119 /nfs/dbraw/zinc/70/91/19/564709119.db2.gz XAUPYRHFGVLMGG-BRWVUGGUSA-N 1 0 376.298 2.961 20 0 GFADRO O=C(N[C@@H]1C[C@H]1c1cccc(Br)c1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000525816352 564709193 /nfs/dbraw/zinc/70/91/93/564709193.db2.gz XAUPYRHFGVLMGG-IXDOHACOSA-N 1 0 376.298 2.961 20 0 GFADRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)Cn1cc(Br)cn1 ZINC000488489277 564712362 /nfs/dbraw/zinc/71/23/62/564712362.db2.gz AJHNCSOCDKENAW-YOEHRIQHSA-N 1 0 391.313 2.672 20 0 GFADRO C[N@@H+]1CC[C@]2(CCN(C(=O)NCCOc3ccc(Br)cc3)C2)C1 ZINC000488590093 564715421 /nfs/dbraw/zinc/71/54/21/564715421.db2.gz OFUMZMKRGQQHFS-KRWDZBQOSA-N 1 0 382.302 2.565 20 0 GFADRO Cc1cccc(CNC(=O)NCCCC[NH+]2CCN(C)CC2)c1Br ZINC000526047851 564716970 /nfs/dbraw/zinc/71/69/70/564716970.db2.gz UXEVDIKRWNZTGM-UHFFFAOYSA-N 1 0 397.361 2.584 20 0 GFADRO C[C@@H]1C[C@@H]1[N@@H+]1CCN(c2cc(Br)cc(F)c2C(N)=O)C[C@@H](C)C1 ZINC000488736870 564718733 /nfs/dbraw/zinc/71/87/33/564718733.db2.gz QMQYHYYYZFOPAY-WDMOLILDSA-N 1 0 384.293 2.854 20 0 GFADRO COc1ccc(Br)c(CNC(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000576806977 564719480 /nfs/dbraw/zinc/71/94/80/564719480.db2.gz HEAJGDPURUMXMO-UONOGXRCSA-N 1 0 396.329 2.989 20 0 GFADRO O=C(Nc1ccc(Cl)c(Cl)c1)C1CCN(C(=O)[C@]23C[C@H]2CC[NH2+]3)CC1 ZINC000576934970 564721781 /nfs/dbraw/zinc/72/17/81/564721781.db2.gz YHLJCGDOXYAZJL-XIKOKIGWSA-N 1 0 382.291 2.923 20 0 GFADRO CS(=O)(=O)N1CC[C@H]([NH2+][C@H](c2ccc(Br)s2)C2CC2)C1 ZINC000576998662 564722152 /nfs/dbraw/zinc/72/21/52/564722152.db2.gz OQCQACBYGWQORX-GWCFXTLKSA-N 1 0 379.345 2.585 20 0 GFADRO C[C@H]1CCC[N@H+](CCNS(=O)(=O)c2cc(Br)c(F)cc2F)C1 ZINC000488886684 564723606 /nfs/dbraw/zinc/72/36/06/564723606.db2.gz AMROTLCZYRPLRF-JTQLQIEISA-N 1 0 397.285 2.738 20 0 GFADRO O=C(C[NH2+]C[C@@H]1CCCO1)N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000577097858 564724299 /nfs/dbraw/zinc/72/42/99/564724299.db2.gz SVTSEEZRMITLFI-RYUDHWBXSA-N 1 0 377.432 2.637 20 0 GFADRO C[NH+](C)C1(CNS(=O)(=O)c2cc(Br)c(F)cc2F)CCCC1 ZINC000488942192 564724587 /nfs/dbraw/zinc/72/45/87/564724587.db2.gz PVDAUWNDYBMRJE-UHFFFAOYSA-N 1 0 397.285 2.880 20 0 GFADRO Cc1nc(CNC(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)sc1Br ZINC000458933985 564724847 /nfs/dbraw/zinc/72/48/47/564724847.db2.gz SOWJRBHPJDWBPI-GFCCVEGCSA-N 1 0 387.347 2.984 20 0 GFADRO CC[N@@H+]1CCCC[C@H]1CNC(=O)Cc1ccc(I)cc1 ZINC000488988860 564725946 /nfs/dbraw/zinc/72/59/46/564725946.db2.gz YCOIYUHFBLGKHU-HNNXBMFYSA-N 1 0 386.277 2.824 20 0 GFADRO O=C(NCC[NH2+][C@H]1CCCc2cc(Br)ccc21)c1cnccn1 ZINC000527033582 564727438 /nfs/dbraw/zinc/72/74/38/564727438.db2.gz SQHDGZIRCVWTCF-HNNXBMFYSA-N 1 0 375.270 2.636 20 0 GFADRO C[N@@H+]1CC[C@](O)(CNC(=O)Nc2ccc(C(F)(F)F)c(Br)c2)C1 ZINC000527056569 564728307 /nfs/dbraw/zinc/72/83/07/564728307.db2.gz DIOBJJJAGRPOMU-ZDUSSCGKSA-N 1 0 396.207 2.656 20 0 GFADRO O=C(C[NH2+]C[C@@H]1CCCO1)NCCc1csc(-c2ccc(Cl)cc2)n1 ZINC000577181997 564728558 /nfs/dbraw/zinc/72/85/58/564728558.db2.gz IEEJBKBIWUHQMI-INIZCTEOSA-N 1 0 379.913 2.891 20 0 GFADRO O=C(N[C@@H](c1cncc(Br)c1)C1CC1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000577304188 564733212 /nfs/dbraw/zinc/73/32/12/564733212.db2.gz XPXCMQHLMVHXOA-GDBMZVCRSA-N 1 0 379.302 2.831 20 0 GFADRO Cc1cc(CNC(=O)N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)ccc1Br ZINC000459172148 564734311 /nfs/dbraw/zinc/73/43/11/564734311.db2.gz IRRUWYGTXFLTAP-AWEZNQCLSA-N 1 0 398.345 2.744 20 0 GFADRO Cc1cc(CNC(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)ccc1Br ZINC000459188546 564735684 /nfs/dbraw/zinc/73/56/84/564735684.db2.gz VWHPVEUFJYGPEU-INIZCTEOSA-N 1 0 396.329 2.621 20 0 GFADRO O=C(CN1CCC([C@@H]2CC[NH2+]C2)CC1)Nc1ccc(Br)cc1F ZINC000577512523 564736146 /nfs/dbraw/zinc/73/61/46/564736146.db2.gz BITVGACRSCOWQJ-CYBMUJFWSA-N 1 0 384.293 2.848 20 0 GFADRO C[C@@H](C[NH+](C)C)NC(=O)c1nn(-c2cccc(Br)c2)c2c1CCC2 ZINC000553794933 564736783 /nfs/dbraw/zinc/73/67/83/564736783.db2.gz YDOWFPAWBOLOGG-LBPRGKRZSA-N 1 0 391.313 2.803 20 0 GFADRO Cc1csc(C(=O)NC[C@@H](C)[NH+]2CCCC2)c1I ZINC000527312541 564738894 /nfs/dbraw/zinc/73/88/94/564738894.db2.gz HLYSGKAZQIBETK-SNVBAGLBSA-N 1 0 378.279 2.875 20 0 GFADRO C[C@H](CNC(=O)N1CC[C@]2(CC[N@H+](C)C2)C1)Oc1ccccc1Br ZINC000489446487 564739943 /nfs/dbraw/zinc/73/99/43/564739943.db2.gz NYALBFKTJKBTCH-KDOFPFPSSA-N 1 0 396.329 2.954 20 0 GFADRO CSc1ccccc1C[C@H](C)[NH2+]C[C@H]1CCCCN1S(=O)(=O)N(C)C ZINC000578059329 564740382 /nfs/dbraw/zinc/74/03/82/564740382.db2.gz KDKRRGAKFNQQLI-DOTOQJQBSA-N 1 0 385.599 2.590 20 0 GFADRO OC1(C[NH2+]Cc2cc3c(cc2Br)OCO3)Cc2ccccc2C1 ZINC000553850860 564740545 /nfs/dbraw/zinc/74/05/45/564740545.db2.gz LPOLKCUINVYYQX-UHFFFAOYSA-N 1 0 376.250 2.797 20 0 GFADRO COCC[N@H+](Cc1ccc(I)cc1)[C@@H]1CCO[C@@H]1C ZINC000489463881 564740993 /nfs/dbraw/zinc/74/09/93/564740993.db2.gz ANVVCKGDBSRNJJ-IUODEOHRSA-N 1 0 375.250 2.917 20 0 GFADRO CN1CCC([NH+]2CCC(NCc3cccc(O)c3Br)CC2)CC1 ZINC000459390313 564742448 /nfs/dbraw/zinc/74/24/48/564742448.db2.gz PLUKDYWNOFLYGG-UHFFFAOYSA-N 1 0 382.346 2.803 20 0 GFADRO Cc1cc(S(=O)(=O)N2CCCC[C@@H]2[C@@H](C)[NH3+])c(F)cc1Br ZINC000578357109 564743181 /nfs/dbraw/zinc/74/31/81/564743181.db2.gz VSEAGCSOBAWSPY-ZWNOBZJWSA-N 1 0 379.295 2.787 20 0 GFADRO FC(F)(F)c1cnc(NCC[NH2+][C@@H](C2CC2)[C@H]2CNCCO2)c(Cl)c1 ZINC000578348164 564743258 /nfs/dbraw/zinc/74/32/58/564743258.db2.gz QTKMGYNUZRMFBC-KGLIPLIRSA-N 1 0 378.826 2.522 20 0 GFADRO C[C@@H](C[NH+](C)C)NS(=O)(=O)c1cc(C(F)(F)F)ccc1Br ZINC000553885458 564743304 /nfs/dbraw/zinc/74/33/04/564743304.db2.gz CDHRABOKNKXTNE-QMMMGPOBSA-N 1 0 389.237 2.696 20 0 GFADRO COC(=O)CC1([NH2+]CC(=O)Nc2ccc(OC(F)F)c(Cl)c2)CCC1 ZINC000459403475 564743332 /nfs/dbraw/zinc/74/33/32/564743332.db2.gz QRVPAKASAYYCJF-UHFFFAOYSA-N 1 0 376.787 2.955 20 0 GFADRO CN(C)[C@@]1(C[NH2+]C[C@H](O)COc2ccc(Cl)cc2Cl)CCSC1 ZINC000578350474 564743406 /nfs/dbraw/zinc/74/34/06/564743406.db2.gz OWAMNSKXRJGXSG-XJKSGUPXSA-N 1 0 379.353 2.760 20 0 GFADRO CC[C@@H](Cc1ccccc1Br)[N@H+](C)CCN1C(=O)N[C@H](C)C1=O ZINC000459411585 564743688 /nfs/dbraw/zinc/74/36/88/564743688.db2.gz QFKWZEUNWYQUJN-OCCSQVGLSA-N 1 0 382.302 2.642 20 0 GFADRO CCOc1cc(C[NH2+][C@@H](C)[C@H](C)N2CCOCC2)cc(Br)c1O ZINC000459435954 564744688 /nfs/dbraw/zinc/74/46/88/564744688.db2.gz WDUAYLUUWYYJND-STQMWFEESA-N 1 0 387.318 2.752 20 0 GFADRO CC(C)Sc1cc(Br)ccc1C[NH2+]CCS(=O)(=O)N(C)C ZINC000579799597 564752062 /nfs/dbraw/zinc/75/20/62/564752062.db2.gz ZLGQEUHWVNFMAM-UHFFFAOYSA-N 1 0 395.388 2.931 20 0 GFADRO C[C@H](CNC(=O)N1CC[C@]2(CC[NH2+]C2)C1)Oc1cccc(Br)c1 ZINC000579814879 564752209 /nfs/dbraw/zinc/75/22/09/564752209.db2.gz LBNQLRVGWQYRTP-DYVFJYSZSA-N 1 0 382.302 2.611 20 0 GFADRO O=S(=O)(c1ccccc1)N1CCC(C[NH2+]Cc2ccncc2Cl)CC1 ZINC000527654933 564752617 /nfs/dbraw/zinc/75/26/17/564752617.db2.gz XGFTZYRDWPLUBS-UHFFFAOYSA-N 1 0 379.913 2.926 20 0 GFADRO C[C@H]1CN(CC[NH2+]Cc2c[nH]nc2-c2ccc(Br)s2)CCO1 ZINC000527652494 564752978 /nfs/dbraw/zinc/75/29/78/564752978.db2.gz DXZLIDNPDRHMLS-NSHDSACASA-N 1 0 385.331 2.711 20 0 GFADRO OC1CCN(CCC[NH2+]Cc2c[nH]nc2-c2ccc(Br)s2)CC1 ZINC000527644531 564753245 /nfs/dbraw/zinc/75/32/45/564753245.db2.gz IHYBRNFZYZYJEA-UHFFFAOYSA-N 1 0 399.358 2.837 20 0 GFADRO OCC1(C[NH2+]Cc2c[nH]nc2-c2ccc(Br)s2)CCOCC1 ZINC000527683857 564754993 /nfs/dbraw/zinc/75/49/93/564754993.db2.gz WIBGOPCBWVKPFB-UHFFFAOYSA-N 1 0 386.315 2.779 20 0 GFADRO C[C@@H](CNC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1)Oc1ccccc1Br ZINC000580300467 564755207 /nfs/dbraw/zinc/75/52/07/564755207.db2.gz PNNRQBOACODULZ-SOUVJXGZSA-N 1 0 396.329 2.857 20 0 GFADRO Brc1ccccc1-c1cnc(CN2CCN([C@@H]3CC[NH2+]C3)CC2)o1 ZINC000489855575 564755326 /nfs/dbraw/zinc/75/53/26/564755326.db2.gz FBGOAHPKGAMYMQ-CQSZACIVSA-N 1 0 391.313 2.584 20 0 GFADRO CNC(=O)[C@H](CCSC)[NH2+][C@@H](C)CC(=O)N(C)Cc1cccc(Cl)c1 ZINC000489887950 564756360 /nfs/dbraw/zinc/75/63/60/564756360.db2.gz WRWAOBGHTWTDEA-BBRMVZONSA-N 1 0 385.961 2.534 20 0 GFADRO Cc1ccc(O)c(C[NH2+]C[C@H](CO)Cc2cc(F)cc(Br)c2)n1 ZINC000459684739 564756898 /nfs/dbraw/zinc/75/68/98/564756898.db2.gz AKGQMCSJANDGSV-CYBMUJFWSA-N 1 0 383.261 2.938 20 0 GFADRO C[C@@]1(CNC(=O)c2ncc(Br)cc2Br)CCC[NH2+]C1 ZINC000580421994 564757096 /nfs/dbraw/zinc/75/70/96/564757096.db2.gz SQKQZKIFWORQHN-CYBMUJFWSA-N 1 0 391.107 2.726 20 0 GFADRO O=S(=O)(CC[NH2+]Cc1c[nH]nc1-c1ccc(Br)s1)C1CC1 ZINC000527718569 564757592 /nfs/dbraw/zinc/75/75/92/564757592.db2.gz DGBHCTCSSQYOOF-UHFFFAOYSA-N 1 0 390.328 2.568 20 0 GFADRO CCn1ncc(C[NH2+]C2CCN(Cc3ccccc3Br)CC2)n1 ZINC000527736991 564758357 /nfs/dbraw/zinc/75/83/57/564758357.db2.gz ULBWIQPJCWDKQA-UHFFFAOYSA-N 1 0 378.318 2.815 20 0 GFADRO COc1ccc(CN2CC[C@@H]2C[NH2+]Cc2ccc(S(C)(=O)=O)s2)cc1 ZINC000527775470 564760385 /nfs/dbraw/zinc/76/03/85/564760385.db2.gz WFUHGOXOQNDDNI-OAHLLOKOSA-N 1 0 380.535 2.524 20 0 GFADRO C[C@H](CNS(=O)(=O)c1cc(Cl)c(Br)cc1F)C[NH+](C)C ZINC000490038053 564761150 /nfs/dbraw/zinc/76/11/50/564761150.db2.gz UBCQYVVKYKNGRJ-MRVPVSSYSA-N 1 0 387.702 2.718 20 0 GFADRO CC(C)Oc1cc(Br)cc(NC(=O)[C@H]2C[N@@H+]3CCN2CCC3)c1 ZINC000490093788 564762996 /nfs/dbraw/zinc/76/29/96/564762996.db2.gz VVDUVUQYRZRKOW-MRXNPFEDSA-N 1 0 382.302 2.565 20 0 GFADRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)C(C)(C)S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000554529538 564764200 /nfs/dbraw/zinc/76/42/00/564764200.db2.gz HUHKMBDCAQPDQF-AWEZNQCLSA-N 1 0 386.945 2.739 20 0 GFADRO C[C@H]1[NH2+]CCN(S(=O)(=O)Cc2cc(Cl)ccc2Br)[C@H]1C ZINC000580564069 564764758 /nfs/dbraw/zinc/76/47/58/564764758.db2.gz KSJBCDNKPFHGFL-ZJUUUORDSA-N 1 0 381.723 2.615 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C(=O)NCC1=CC[NH2+]CC1 ZINC000580562458 564764878 /nfs/dbraw/zinc/76/48/78/564764878.db2.gz GKAUQEHHOBXRNG-UHFFFAOYSA-N 1 0 375.270 2.593 20 0 GFADRO Cc1ncccc1C[NH2+][C@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000527986710 564767123 /nfs/dbraw/zinc/76/71/23/564767123.db2.gz LMDMMUYRYIQRHD-SNVBAGLBSA-N 1 0 384.299 2.651 20 0 GFADRO COc1cc(Cl)c(S(=O)(=O)N2CCCC[C@@H]2[C@H]2CCC[NH2+]2)cc1OC ZINC000580633411 564767787 /nfs/dbraw/zinc/76/77/87/564767787.db2.gz HKJPFLGWZVNCBC-ZIAGYGMSSA-N 1 0 388.917 2.652 20 0 GFADRO O=S(=O)(N[C@@H]1CC[NH2+]C12CCC2)c1cc(Cl)c(Br)cc1F ZINC000528050051 564768080 /nfs/dbraw/zinc/76/80/80/564768080.db2.gz AKIWLJLPUZJJLA-GFCCVEGCSA-N 1 0 397.697 2.805 20 0 GFADRO CC(C)(C)c1ccc(S(=O)(=O)N2CCC(CO[C@@H]3CC[NH2+]C3)CC2)s1 ZINC000528060964 564768942 /nfs/dbraw/zinc/76/89/42/564768942.db2.gz OHDZQHBYAAAFLX-OAHLLOKOSA-N 1 0 386.583 2.825 20 0 GFADRO Cc1cc(S(=O)(=O)N2CCC(CO[C@@H]3CC[NH2+]C3)CC2)c(Cl)cc1F ZINC000528061683 564768975 /nfs/dbraw/zinc/76/89/75/564768975.db2.gz UIIZGAUUKYMRRN-CQSZACIVSA-N 1 0 390.908 2.567 20 0 GFADRO C[N@@H+]1CCCN(c2ccc(-c3noc([C@H]4C[C@]4(C)Br)n3)cn2)CC1 ZINC000528123510 564770753 /nfs/dbraw/zinc/77/07/53/564770753.db2.gz YUZSDRHWRRGYDQ-DYVFJYSZSA-N 1 0 392.301 2.914 20 0 GFADRO CC[NH+]1CCN(c2ccc(-c3noc([C@H]4C[C@]4(C)Br)n3)cn2)CC1 ZINC000528123456 564770989 /nfs/dbraw/zinc/77/09/89/564770989.db2.gz BFDUGPOWTBNMHV-DYVFJYSZSA-N 1 0 392.301 2.914 20 0 GFADRO O=C(Nc1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)[C@@H]1CCCCC[NH2+]1 ZINC000580834760 564776286 /nfs/dbraw/zinc/77/62/86/564776286.db2.gz WUHBQIVZIPWPIQ-HNNXBMFYSA-N 1 0 385.917 2.595 20 0 GFADRO CN(C)CC[N@H+](C)CCCN(C)C(=O)NCc1cc(F)c(Cl)cc1F ZINC000460678061 564779330 /nfs/dbraw/zinc/77/93/30/564779330.db2.gz OUHZWJMYQQTRHM-UHFFFAOYSA-N 1 0 376.879 2.643 20 0 GFADRO CSC1(CNS(=O)(=O)c2cc(C)c(F)cc2Cl)CC[NH+](C)CC1 ZINC000554970831 564780356 /nfs/dbraw/zinc/78/03/56/564780356.db2.gz RRUXDMARYCLMCT-UHFFFAOYSA-N 1 0 380.938 2.893 20 0 GFADRO C[NH+]1CCC(N(Cc2ccccc2Br)C(=O)N[C@H]2CCOC2)CC1 ZINC000460832491 564782117 /nfs/dbraw/zinc/78/21/17/564782117.db2.gz BWQDXAZNQURGOE-HNNXBMFYSA-N 1 0 396.329 2.844 20 0 GFADRO C[C@@H](c1ccc(Br)cc1)N1CC[NH+](C[C@H](O)CC2(O)CCC2)CC1 ZINC000528390574 564782403 /nfs/dbraw/zinc/78/24/03/564782403.db2.gz NKSAPJPFKJPFFP-MAUKXSAKSA-N 1 0 397.357 2.794 20 0 GFADRO CC(C)CN1CCO[C@@H](C[NH2+]CCC(=O)Nc2cccc(Br)c2)C1 ZINC000581037677 564784917 /nfs/dbraw/zinc/78/49/17/564784917.db2.gz PWANUXBCTDEASD-KRWDZBQOSA-N 1 0 398.345 2.724 20 0 GFADRO O[C@H](C[NH2+]CCCNc1ccccn1)COc1ccc(Br)cc1 ZINC000581066668 564785654 /nfs/dbraw/zinc/78/56/54/564785654.db2.gz HZTUHHFNOSVZCR-OAHLLOKOSA-N 1 0 380.286 2.676 20 0 GFADRO O=S(=O)(N[C@@H]1C[NH2+]C[C@H]1c1ccccc1)c1ccc(Br)cc1F ZINC000581062940 564785717 /nfs/dbraw/zinc/78/57/17/564785717.db2.gz RMKVVANQXBMIGF-DZGCQCFKSA-N 1 0 399.285 2.622 20 0 GFADRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)Nc1ccc(I)cc1F ZINC000581081498 564786913 /nfs/dbraw/zinc/78/69/13/564786913.db2.gz AYURRCOSTNEOHM-BDAKNGLRSA-N 1 0 377.201 2.631 20 0 GFADRO CN(C)c1cc(NS(=O)(=O)CCc2ccccc2Br)cc[nH+]1 ZINC000461115405 564790159 /nfs/dbraw/zinc/79/01/59/564790159.db2.gz FITJGNINCSWATP-UHFFFAOYSA-N 1 0 384.299 2.895 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1cc(Cl)ccc1OCCCOC ZINC000491311118 564790241 /nfs/dbraw/zinc/79/02/41/564790241.db2.gz VCOZOMQCLROCPK-OAHLLOKOSA-N 1 0 390.933 2.518 20 0 GFADRO C[NH+](C)CCOC1CCN(C(=O)c2ccc(Br)c(F)c2F)CC1 ZINC000528549272 564793486 /nfs/dbraw/zinc/79/34/86/564793486.db2.gz DBTKKPJYHNFYJO-UHFFFAOYSA-N 1 0 391.256 2.910 20 0 GFADRO CCC[N@H+](C)CC(=O)N1CCN([C@H](C)c2ccc(Br)cc2)CC1 ZINC000461429012 564796928 /nfs/dbraw/zinc/79/69/28/564796928.db2.gz RIECBLITICRGQN-OAHLLOKOSA-N 1 0 382.346 2.996 20 0 GFADRO Cc1nc(C(=O)NCCCC[NH+]2C[C@H](C)O[C@@H](C)C2)c(Br)s1 ZINC000581320173 564797103 /nfs/dbraw/zinc/79/71/03/564797103.db2.gz VIGZZNFINCYLGF-QWRGUYRKSA-N 1 0 390.347 2.833 20 0 GFADRO NC(=O)c1ccc(NC(=O)CC[N@@H+]2CCSC[C@@H]2C2CCC2)cc1Cl ZINC000581360292 564799254 /nfs/dbraw/zinc/79/92/54/564799254.db2.gz QVHSKTNLKGRHMA-MRXNPFEDSA-N 1 0 381.929 2.985 20 0 GFADRO COC(=O)c1csc(S(=O)(=O)N(C)C(C)(C)C[NH+]2CCCCCC2)c1 ZINC000492194964 564799301 /nfs/dbraw/zinc/79/93/01/564799301.db2.gz UGRKAFZHKCMILR-UHFFFAOYSA-N 1 0 388.555 2.810 20 0 GFADRO O=C([C@@H]1C[C@H]1c1csc(Br)c1)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000528662888 564799959 /nfs/dbraw/zinc/79/99/59/564799959.db2.gz NWNQERQSRSRBHL-AEGPPILISA-N 1 0 399.354 2.795 20 0 GFADRO C[C@@H](NC(=O)NC1CC[NH+](C2CCC2)CC1)c1ncc(Br)cn1 ZINC000581412378 564801678 /nfs/dbraw/zinc/80/16/78/564801678.db2.gz GTKIHGZLJLWJSG-LLVKDONJSA-N 1 0 382.306 2.616 20 0 GFADRO O=C(NCC[C@@H]1CCC[NH2+]C1)c1cn(-c2ccc(Br)cc2)cn1 ZINC000581424086 564801740 /nfs/dbraw/zinc/80/17/40/564801740.db2.gz SYFUEZSTOBNDHQ-ZDUSSCGKSA-N 1 0 377.286 2.754 20 0 GFADRO C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1[NH2+]CC(=O)Nc1cccc(I)c1 ZINC000528755352 564803587 /nfs/dbraw/zinc/80/35/87/564803587.db2.gz GVBRFARWVXTBLA-RSQPEXBXSA-N 1 0 388.249 2.631 20 0 GFADRO COc1cc(C(=O)NC[C@H](C)C[NH+]2CCCC2)cc(Br)c1OC ZINC000555786785 564804288 /nfs/dbraw/zinc/80/42/88/564804288.db2.gz IYOAPOWHELZNSX-LBPRGKRZSA-N 1 0 385.302 2.928 20 0 GFADRO COCC[NH+]1CCC(N[C@H](C(=O)OC)c2ccc(Cl)cc2Cl)CC1 ZINC000461865030 564806119 /nfs/dbraw/zinc/80/61/19/564806119.db2.gz LXKFZLKDWHETQN-INIZCTEOSA-N 1 0 375.296 2.908 20 0 GFADRO CC[NH+]1CCC(CNC(=O)NCCOc2ncc(Cl)cc2Cl)CC1 ZINC000581523140 564806503 /nfs/dbraw/zinc/80/65/03/564806503.db2.gz RZHFFYMORVVOFZ-UHFFFAOYSA-N 1 0 375.300 2.798 20 0 GFADRO CCCN1C[C@H](C[NH2+]C[C@@H](O)COc2cc(Cl)ccc2Cl)CC1=O ZINC000581543695 564807175 /nfs/dbraw/zinc/80/71/75/564807175.db2.gz RHGIIJOIZXUVIZ-GXTWGEPZSA-N 1 0 375.296 2.581 20 0 GFADRO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)C[NH2+][C@H]1CCC[C@@]1(C)CO ZINC000493408905 564807596 /nfs/dbraw/zinc/80/75/96/564807596.db2.gz FDGYTPIWGDCQGH-GUYCJALGSA-N 1 0 389.279 2.859 20 0 GFADRO CCC[N@H+](C)C[C@H]1CCN(S(=O)(=O)Cc2cccc(Br)c2)C1 ZINC000555947812 564809432 /nfs/dbraw/zinc/80/94/32/564809432.db2.gz CFNRBGDOCPJLFY-OAHLLOKOSA-N 1 0 389.359 2.943 20 0 GFADRO C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCCCNC(=O)c1cccc(Br)c1 ZINC000461971149 564810378 /nfs/dbraw/zinc/81/03/78/564810378.db2.gz LKVSIHHXMPHTPJ-KBPBESRZSA-N 1 0 396.329 2.558 20 0 GFADRO CN(CCC[NH+](C)C)C(=O)C(=O)Nc1cc(Cl)ccc1OC(F)(F)F ZINC000556089653 564812366 /nfs/dbraw/zinc/81/23/66/564812366.db2.gz IYRZFDXIHOKUGW-UHFFFAOYSA-N 1 0 381.782 2.587 20 0 GFADRO NC(=O)[C@@H]1CCC[N@H+](CCCN[C@@H]2CCc3sc(Br)cc32)C1 ZINC000556076277 564812409 /nfs/dbraw/zinc/81/24/09/564812409.db2.gz LWZQTFAFDWHKHQ-DGCLKSJQSA-N 1 0 386.359 2.675 20 0 GFADRO C[C@H]1CC[C@H]([N@H+](CCO)CC(=O)N(C)Cc2cc(Br)cs2)C1 ZINC000556072690 564812439 /nfs/dbraw/zinc/81/24/39/564812439.db2.gz OVBWZXDQMUXWSP-JSGCOSHPSA-N 1 0 389.359 2.952 20 0 GFADRO CCC[N@H+](CC)CCNC(=O)N[C@H](CCO)c1ccccc1Br ZINC000581686287 564813556 /nfs/dbraw/zinc/81/35/56/564813556.db2.gz JCGUWXSJOROWMN-MRXNPFEDSA-N 1 0 386.334 2.904 20 0 GFADRO O[C@@H]1C[C@@H]([C@@H]2CCCOC2)[N@H+](Cc2cc(Br)c3c(c2)OCCO3)C1 ZINC000556180207 564813889 /nfs/dbraw/zinc/81/38/89/564813889.db2.gz PFTJFNNVWBRPDW-FMKPAKJESA-N 1 0 398.297 2.582 20 0 GFADRO COCCO[C@@H]1COCC[C@H]1[NH2+][C@H]1CCc2sc(Br)cc21 ZINC000556179679 564814285 /nfs/dbraw/zinc/81/42/85/564814285.db2.gz VUZRCHHPNWKNCE-YNEHKIRRSA-N 1 0 376.316 2.908 20 0 GFADRO O=S(=O)(CCc1ccccc1Br)NCCC[NH+]1CCCCC1 ZINC000462083781 564817792 /nfs/dbraw/zinc/81/77/92/564817792.db2.gz JHYYFYMAYSTZQJ-UHFFFAOYSA-N 1 0 389.359 2.787 20 0 GFADRO C[C@@]1(CNC(=O)Cn2cc(Br)cn2)CCC[N@@H+]1Cc1ccccc1 ZINC000494191577 564818917 /nfs/dbraw/zinc/81/89/17/564818917.db2.gz KFKALEIKFBTWRP-SFHVURJKSA-N 1 0 391.313 2.817 20 0 GFADRO C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000581840275 564819730 /nfs/dbraw/zinc/81/97/30/564819730.db2.gz BUPIVYNBEHMSDJ-FRRDWIJNSA-N 1 0 384.307 2.807 20 0 GFADRO COc1ccc(Br)c(CN(C)C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000581874497 564820696 /nfs/dbraw/zinc/82/06/96/564820696.db2.gz XUODXXYFQTZOFW-KCQAQPDRSA-N 1 0 396.329 2.987 20 0 GFADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)c1 ZINC000462138199 564823130 /nfs/dbraw/zinc/82/31/30/564823130.db2.gz IFUOQCLORLRHKV-HNNXBMFYSA-N 1 0 390.933 2.771 20 0 GFADRO Cc1ncc2n1C[C@H](C(=O)NCC(=O)Nc1cc(Cl)ccc1Cl)CC2 ZINC000581947790 564823853 /nfs/dbraw/zinc/82/38/53/564823853.db2.gz MEPPMGWAZVCDPZ-LLVKDONJSA-N 1 0 381.263 2.816 20 0 GFADRO CC1(C)CCC[N@H+](CCNC(=O)c2nc(C3CC3)ncc2Br)C1 ZINC000494313764 564824291 /nfs/dbraw/zinc/82/42/91/564824291.db2.gz PSMYDLPDFXTUAJ-UHFFFAOYSA-N 1 0 381.318 2.968 20 0 GFADRO C[C@H](C[NH2+][C@@H](C)c1ccc(F)c(I)c1)S(C)(=O)=O ZINC000556424281 564825167 /nfs/dbraw/zinc/82/51/67/564825167.db2.gz WOVACZYRSJLFCY-BDAKNGLRSA-N 1 0 385.242 2.514 20 0 GFADRO OCCC[N@@H+]1CCC[C@H](Nc2ncnc3cc(F)c(Br)cc32)C1 ZINC000581984362 564825942 /nfs/dbraw/zinc/82/59/42/564825942.db2.gz VFQCDKIWAXOMQW-NSHDSACASA-N 1 0 383.265 2.790 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1cc(Br)cc(C(=O)OC)c1 ZINC000462182612 564826164 /nfs/dbraw/zinc/82/61/64/564826164.db2.gz VMWMJVYFVHKCNL-HNNXBMFYSA-N 1 0 383.286 2.792 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)Nc2ccc(I)cc2F)C1 ZINC000582014176 564826777 /nfs/dbraw/zinc/82/67/77/564826777.db2.gz JSFWSNYGILIIIW-DTWKUNHWSA-N 1 0 377.201 2.631 20 0 GFADRO CN(C)[C@H](C(=O)N1CCSC[C@@H]1c1cnn(C)c1)c1ccc(Cl)cc1 ZINC000582011312 564826892 /nfs/dbraw/zinc/82/68/92/564826892.db2.gz XTGGEPBPWXFUIE-SJORKVTESA-N 1 0 378.929 2.993 20 0 GFADRO CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)NCc2cccc(Cl)c2Cl)C1 ZINC000582016706 564827797 /nfs/dbraw/zinc/82/77/97/564827797.db2.gz JBJIRWPXIVBLOX-CYBMUJFWSA-N 1 0 386.323 2.800 20 0 GFADRO C[C@]1(CCNC(=O)N2CCC(CO[C@@H]3CC[NH2+]C3)CC2)CC1(Cl)Cl ZINC000529329890 564829612 /nfs/dbraw/zinc/82/96/12/564829612.db2.gz JEHHHKVZVMQNRK-ZBFHGGJFSA-N 1 0 378.344 2.761 20 0 GFADRO O=S(=O)(Cc1cccc(Br)c1)N1CCC2(CC[NH2+]CC2)CC1 ZINC000582122043 564831300 /nfs/dbraw/zinc/83/13/00/564831300.db2.gz XDRBVLYVWSUHSZ-UHFFFAOYSA-N 1 0 387.343 2.745 20 0 GFADRO CCC[NH+]1CCC(NC(=O)Nc2cccc(C(=O)NC)c2Br)CC1 ZINC000494490100 564831694 /nfs/dbraw/zinc/83/16/94/564831694.db2.gz WUOVWEPGJBIQFR-UHFFFAOYSA-N 1 0 397.317 2.805 20 0 GFADRO C[C@@H]1CN(Cc2cccc(I)c2)CC[N@@H+]1CC(C)(C)O ZINC000556604056 564831788 /nfs/dbraw/zinc/83/17/88/564831788.db2.gz UWGUNKJDYQCVJD-CYBMUJFWSA-N 1 0 388.293 2.568 20 0 GFADRO CC[C@@H]1CN(C(=O)NCc2cc(F)c(Br)cc2F)CC[C@H]1[NH3+] ZINC000529368385 564832075 /nfs/dbraw/zinc/83/20/75/564832075.db2.gz BYIRBISOCYVAGD-YMTOWFKASA-N 1 0 376.245 2.996 20 0 GFADRO OCC[N@H+](Cc1cccc(I)c1)[C@H]1CCCSC1 ZINC000556628978 564833276 /nfs/dbraw/zinc/83/32/76/564833276.db2.gz MKBIKOIQMJHQMS-AWEZNQCLSA-N 1 0 377.291 2.981 20 0 GFADRO C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)CC2(C[NH3+])CC2)CC1 ZINC000582178962 564834490 /nfs/dbraw/zinc/83/44/90/564834490.db2.gz CGTCDASJGIFUBS-AWEZNQCLSA-N 1 0 380.330 2.783 20 0 GFADRO Cc1cccc(CC(=O)N2CCOC[C@@H]2[C@@H]2CCC[N@H+]2C)c1Br ZINC000529425144 564834793 /nfs/dbraw/zinc/83/47/93/564834793.db2.gz NXHUDGQTHVSYFH-JKSUJKDBSA-N 1 0 381.314 2.622 20 0 GFADRO Cc1cccc(CC(=O)N2CCOC[C@H]2[C@H]2CCC[N@H+]2C)c1Br ZINC000529425141 564834881 /nfs/dbraw/zinc/83/48/81/564834881.db2.gz NXHUDGQTHVSYFH-CVEARBPZSA-N 1 0 381.314 2.622 20 0 GFADRO CC(=O)N[C@H](CC(=O)N[C@@H](C)CCCC[NH3+])c1ccc(Br)cc1 ZINC000494668941 564836035 /nfs/dbraw/zinc/83/60/35/564836035.db2.gz AGZXTQPNHAIGAW-BLLLJJGKSA-N 1 0 384.318 2.650 20 0 GFADRO C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]CCCNC(=O)c1ccc(Br)cc1 ZINC000494698281 564837275 /nfs/dbraw/zinc/83/72/75/564837275.db2.gz UXJBXHHUQPBMET-DYVFJYSZSA-N 1 0 380.330 2.641 20 0 GFADRO [NH3+][C@H]1CCC[C@@H](CNS(=O)(=O)c2cc(Br)sc2Cl)C1 ZINC000582300855 564839856 /nfs/dbraw/zinc/83/98/56/564839856.db2.gz GQDFCLNTTQARBJ-SFYZADRCSA-N 1 0 387.752 2.960 20 0 GFADRO Brc1ccc(-c2n[nH]cc2C[NH2+]CCN2CCCOCC2)s1 ZINC000529567725 564842734 /nfs/dbraw/zinc/84/27/34/564842734.db2.gz ONNOVRKDKHTGLE-UHFFFAOYSA-N 1 0 385.331 2.713 20 0 GFADRO O=S(=O)(NC[C@@H]1CCCN(Cc2ccsc2Br)C1)C1CC1 ZINC000529571183 564842902 /nfs/dbraw/zinc/84/29/02/564842902.db2.gz RDLUUYLURQMAPC-NSHDSACASA-N 1 0 393.372 2.804 20 0 GFADRO Cc1nccn1C[C@@H](C)C[NH2+]C[C@H](O)COc1cccc(Br)c1 ZINC000582355363 564842906 /nfs/dbraw/zinc/84/29/06/564842906.db2.gz IASHRHYMRSIXAC-BBRMVZONSA-N 1 0 382.302 2.620 20 0 GFADRO O=C(Nc1cnc2c(Br)cccn12)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC000556898663 564846094 /nfs/dbraw/zinc/84/60/94/564846094.db2.gz PJOPLLOFOAVMDE-CQSZACIVSA-N 1 0 393.285 2.679 20 0 GFADRO O=S(=O)(c1cccc2c(Cl)ccnc21)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000582486946 564848122 /nfs/dbraw/zinc/84/81/22/564848122.db2.gz HIEXXRIBSRKFOL-KBPBESRZSA-N 1 0 379.913 2.898 20 0 GFADRO OC[C@]1([C@@H]([NH2+]Cc2cccc(I)c2)C2CC2)CCCO1 ZINC000556966976 564848827 /nfs/dbraw/zinc/84/88/27/564848827.db2.gz AGSIDNYFYDJUIQ-HOTGVXAUSA-N 1 0 387.261 2.701 20 0 GFADRO COc1cc(Br)ccc1OCC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000582568355 564852070 /nfs/dbraw/zinc/85/20/70/564852070.db2.gz XRFHCHXENFFFHZ-UHFFFAOYSA-N 1 0 383.286 2.580 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H](CNS(=O)(=O)c2c(Cl)cccc2Br)C1 ZINC000582606736 564853508 /nfs/dbraw/zinc/85/35/08/564853508.db2.gz XLRZJXDIBGHXIX-NXEZZACHSA-N 1 0 381.723 2.898 20 0 GFADRO O=C(NCCNc1ncc(Cl)cc1Cl)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000557131413 564854986 /nfs/dbraw/zinc/85/49/86/564854986.db2.gz UGDRUTAPRIMYEZ-CHWSQXEVSA-N 1 0 386.327 2.831 20 0 GFADRO Cc1ccc(C[C@@H](CO)CNC(=O)CCCC[NH+](C)C)cc1Br ZINC000582650131 564856652 /nfs/dbraw/zinc/85/66/52/564856652.db2.gz YEEZPODOFBIKOP-MRXNPFEDSA-N 1 0 385.346 2.757 20 0 GFADRO [NH3+]C[C@@H]1CCCN(C(=O)Nc2cc(Br)ccc2-n2cccn2)C1 ZINC000582654087 564856690 /nfs/dbraw/zinc/85/66/90/564856690.db2.gz PPENJYLALMWJKP-LBPRGKRZSA-N 1 0 378.274 2.837 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)C(=O)N1CC[C@H]2CC[N@H+](C)C[C@H]21 ZINC000495990454 564857751 /nfs/dbraw/zinc/85/77/51/564857751.db2.gz NSLSKIDGWAZEMF-CZUORRHYSA-N 1 0 394.313 2.503 20 0 GFADRO C[C@]1(CNC(=O)N[C@@H]2CCN(c3ccc(Br)cc3)C2)CCC[NH2+]C1 ZINC000582714757 564858226 /nfs/dbraw/zinc/85/82/26/564858226.db2.gz DGDCUOIBWJKVIK-QAPCUYQASA-N 1 0 395.345 2.717 20 0 GFADRO O=S(=O)(NC[C@H]1CCC[N@@H+](CCOc2ccc(Cl)c(F)c2)C1)C1CC1 ZINC000582718190 564858816 /nfs/dbraw/zinc/85/88/16/564858816.db2.gz CQEHXEXKXNHCTR-CYBMUJFWSA-N 1 0 390.908 2.652 20 0 GFADRO Cc1nn(C)c(CNc2cccc(C[N@@H+]3CC[C@@H](O)C3)c2)c1Br ZINC000462872724 564861518 /nfs/dbraw/zinc/86/15/18/564861518.db2.gz VLUXXVRWLRVHIV-OAHLLOKOSA-N 1 0 379.302 2.670 20 0 GFADRO COc1ccc(F)cc1C[NH2+]CCCNS(=O)(=O)c1ccccc1Cl ZINC000462897049 564862400 /nfs/dbraw/zinc/86/24/00/564862400.db2.gz RNRXSOYIEPLSAU-UHFFFAOYSA-N 1 0 386.876 2.946 20 0 GFADRO CS(=O)(=O)N1CC[C@H]([NH2+][C@H]2CC[C@H](c3ccc(C(F)(F)F)cc3)C2)C1 ZINC000582848944 564864436 /nfs/dbraw/zinc/86/44/36/564864436.db2.gz INBLPNQFYFUPOT-BPUTZDHNSA-N 1 0 376.444 2.965 20 0 GFADRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)NCc1ccc(I)c(Cl)c1 ZINC000582844243 564864647 /nfs/dbraw/zinc/86/46/47/564864647.db2.gz ZEBNWKBRTKYTTK-RKDXNWHRSA-N 1 0 395.672 2.870 20 0 GFADRO C[C@H]1C[N@H+](C)C[C@@H]1c1nc(Cc2cc3c(cc2Br)OCO3)no1 ZINC000463047415 564868321 /nfs/dbraw/zinc/86/83/21/564868321.db2.gz DXTZGGAPEZZSNE-ONGXEEELSA-N 1 0 380.242 2.817 20 0 GFADRO C[N@@H+]1CC[C@H]2CCN(C(=O)NCCc3cc(Br)ccc3F)[C@H]2C1 ZINC000497480656 564868439 /nfs/dbraw/zinc/86/84/39/564868439.db2.gz DWGINFTXSKMIRD-LRDDRELGSA-N 1 0 384.293 2.866 20 0 GFADRO CC[C@H](C(=O)NCCn1cc(Br)cn1)[N@H+](C)Cc1ccccc1 ZINC000557686520 564872351 /nfs/dbraw/zinc/87/23/51/564872351.db2.gz OTEUKYNDKPJXHV-MRXNPFEDSA-N 1 0 379.302 2.672 20 0 GFADRO Brc1cc(CN2CCC(CO[C@H]3CC[NH2+]C3)CC2)cc2c1OCO2 ZINC000530239648 564872982 /nfs/dbraw/zinc/87/29/82/564872982.db2.gz HKJQFFFIRJFDKH-HNNXBMFYSA-N 1 0 397.313 2.768 20 0 GFADRO O=C([C@H]1CCc2cc(Br)ccc21)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000583085524 564875347 /nfs/dbraw/zinc/87/53/47/564875347.db2.gz GRSCOBJVHQLGCI-KDOFPFPSSA-N 1 0 393.325 2.660 20 0 GFADRO CCC[NH+]1CCC(NS(=O)(=O)Cc2ccccc2Br)CC1 ZINC000557791278 564876904 /nfs/dbraw/zinc/87/69/04/564876904.db2.gz NMAAZQBBCFZWBI-UHFFFAOYSA-N 1 0 375.332 2.743 20 0 GFADRO C[C@H](CNC(=O)N1CC[C@H]2CC[N@H+](C)C[C@@H]21)Oc1ccccc1Br ZINC000497831737 564877705 /nfs/dbraw/zinc/87/77/05/564877705.db2.gz LFJIICVUSWESLB-FMKPAKJESA-N 1 0 396.329 2.952 20 0 GFADRO O=S(=O)(Cc1ccccc1Br)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000557812181 564877717 /nfs/dbraw/zinc/87/77/17/564877717.db2.gz PZHIMNIKOIWONF-HNNXBMFYSA-N 1 0 387.343 2.839 20 0 GFADRO C[C@@H](CNS(=O)(=O)Cc1ccccc1Br)C[NH+]1CCCC1 ZINC000557805169 564877840 /nfs/dbraw/zinc/87/78/40/564877840.db2.gz UGASYGLMLGXPGD-ZDUSSCGKSA-N 1 0 375.332 2.600 20 0 GFADRO O=S(=O)(CC[NH2+][C@H]1CC=C(c2ccc(F)cc2)CC1)N1CCSCC1 ZINC000497850581 564878364 /nfs/dbraw/zinc/87/83/64/564878364.db2.gz BOPRDWWPTUZKHW-SFHVURJKSA-N 1 0 384.542 2.730 20 0 GFADRO C[C@H](C[NH+]1CCCCC1)NS(=O)(=O)Cc1ccccc1Br ZINC000557832720 564879852 /nfs/dbraw/zinc/87/98/52/564879852.db2.gz CEGJHJUNLPLZGD-CYBMUJFWSA-N 1 0 375.332 2.743 20 0 GFADRO O=C(NCCc1ccc(Br)cc1)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000583198109 564880088 /nfs/dbraw/zinc/88/00/88/564880088.db2.gz JRXQKTUJPMSYHB-INIZCTEOSA-N 1 0 377.286 2.543 20 0 GFADRO CSCC[C@@H]([NH3+])C(=O)N1CCC([C@H]2c3ccc(Cl)cc3NC2=O)CC1 ZINC000497938555 564880138 /nfs/dbraw/zinc/88/01/38/564880138.db2.gz NAKHHDKQKWOHFY-ZBFHGGJFSA-N 1 0 381.929 2.695 20 0 GFADRO O=C(COc1cc(Cl)cc(Cl)c1)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000463433986 564881377 /nfs/dbraw/zinc/88/13/77/564881377.db2.gz KYIGWPOSCCSBAX-UHFFFAOYSA-N 1 0 386.323 2.612 20 0 GFADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)c2cc(Br)cn2C(C)C)C1 ZINC000463446039 564881401 /nfs/dbraw/zinc/88/14/01/564881401.db2.gz FZWUNBSORQJHFC-OAHLLOKOSA-N 1 0 386.334 2.918 20 0 GFADRO COc1cc(C[NH2+][C@@H]2CCOC3(CCOCC3)C2)cc(Br)c1O ZINC000557843970 564881981 /nfs/dbraw/zinc/88/19/81/564881981.db2.gz HHDDYIQVDGSVOD-CYBMUJFWSA-N 1 0 386.286 2.981 20 0 GFADRO CC[NH+](CC)CC[C@@H](CO)NC(=O)Nc1cc(F)ccc1Br ZINC000498024198 564885175 /nfs/dbraw/zinc/88/51/75/564885175.db2.gz WTIQXKWIYJZONK-LBPRGKRZSA-N 1 0 376.270 2.803 20 0 GFADRO CC[C@H]1C[N@H+](C)CCN1C(=O)C[C@@H](NC(C)=O)c1ccc(Br)cc1 ZINC000557920400 564885271 /nfs/dbraw/zinc/88/52/71/564885271.db2.gz VGTSTLJDANKROI-DLBZAZTESA-N 1 0 396.329 2.569 20 0 GFADRO COC(=O)c1cc(C(C)(C)NCc2cc3c(c(Br)c2)OCO3)no1 ZINC000583410144 564889897 /nfs/dbraw/zinc/88/98/97/564889897.db2.gz XVJHLLBHRJQZKZ-UHFFFAOYSA-N 1 0 397.225 2.977 20 0 GFADRO C[NH+](C)[C@H]1CCN(C(=O)c2c(Cl)cccc2I)C1 ZINC000463769067 564889948 /nfs/dbraw/zinc/88/99/48/564889948.db2.gz MVEGYZAQHXRQQB-VIFPVBQESA-N 1 0 378.641 2.721 20 0 GFADRO Cc1cc(C)c(NC(=O)N2CC[N@@H+](C[C@H](C)O)C[C@@H]2C)c(Br)c1 ZINC000498193590 564890665 /nfs/dbraw/zinc/89/06/65/564890665.db2.gz AJOUHYDKMAVZQO-KBPBESRZSA-N 1 0 384.318 2.985 20 0 GFADRO C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](c1ccc(Cl)cc1Cl)N1CCOCC1 ZINC000463810826 564890756 /nfs/dbraw/zinc/89/07/56/564890756.db2.gz KRXOSDARXQBVRA-RHSMWYFYSA-N 1 0 386.323 2.577 20 0 GFADRO C[C@@H](NC(=O)[C@H]([NH3+])CC(F)F)c1nc(-c2ccc(Br)cc2)no1 ZINC000498200473 564891100 /nfs/dbraw/zinc/89/11/00/564891100.db2.gz JGDZRZRDWAUASU-GMSGAONNSA-N 1 0 389.200 2.659 20 0 GFADRO COC(=O)CN(CCc1ccc(Cl)cc1Cl)C(=O)C[C@@H]1CCC[NH2+]C1 ZINC000583451392 564892275 /nfs/dbraw/zinc/89/22/75/564892275.db2.gz SYMJDIZASQUHGA-ZDUSSCGKSA-N 1 0 387.307 2.927 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)C(=O)NCCCc2ccc(Cl)cc2Cl)CC[N@@H+]1C ZINC000558207597 564895721 /nfs/dbraw/zinc/89/57/21/564895721.db2.gz LXQCQPSEEWUTNO-IUODEOHRSA-N 1 0 386.323 2.641 20 0 GFADRO CC[NH+](CC)CC[C@H](CO)NC(=O)C(C)(C)c1ccccc1Br ZINC000583509046 564895983 /nfs/dbraw/zinc/89/59/83/564895983.db2.gz BKXVSPIUPHCEBO-CQSZACIVSA-N 1 0 385.346 2.936 20 0 GFADRO Cc1ccc2nc(C[NH2+]C[C@@H](O)COc3ccc(Br)cc3)cn2c1 ZINC000583559661 564897842 /nfs/dbraw/zinc/89/78/42/564897842.db2.gz FWHONJVLHCXTMG-MRXNPFEDSA-N 1 0 390.281 2.935 20 0 GFADRO CC[N@@H+]1C[C@H](C)N(C(=O)c2ccc(F)c(I)c2)C[C@@H]1C ZINC000498573063 564902842 /nfs/dbraw/zinc/90/28/42/564902842.db2.gz RZEMSYGRDLZZPP-QWRGUYRKSA-N 1 0 390.240 2.985 20 0 GFADRO CS(=O)(=O)c1ccc(C[NH2+]C[C@H](O)Cc2ccc3ccccc3c2)s1 ZINC000583688944 564903263 /nfs/dbraw/zinc/90/32/63/564903263.db2.gz KXVQWHGPCDRSRE-QGZVFWFLSA-N 1 0 375.515 2.998 20 0 GFADRO O=C(Nc1ccc2nccnc2c1Br)N1CC[NH+](CC2CC2)CC1 ZINC000558484928 564903237 /nfs/dbraw/zinc/90/32/37/564903237.db2.gz RSSUHRCBWJCULL-UHFFFAOYSA-N 1 0 390.285 2.952 20 0 GFADRO Cc1ccc(-c2csc(NC(=O)C(=O)NC[C@@H](C3CC3)[NH+](C)C)n2)s1 ZINC000498689849 564906050 /nfs/dbraw/zinc/90/60/50/564906050.db2.gz WGRSYUVFEWVREV-ZDUSSCGKSA-N 1 0 378.523 2.575 20 0 GFADRO O=S(=O)(c1cc(Cl)ccc1C(F)(F)F)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000583811837 564908946 /nfs/dbraw/zinc/90/89/46/564908946.db2.gz BVXINTSPUMXSEF-PHIMTYICSA-N 1 0 382.835 2.979 20 0 GFADRO COC[C@@](C)(NC(=O)c1ccc(C[NH+]2CCSCC2)cc1)C(F)(F)F ZINC000464505682 564909041 /nfs/dbraw/zinc/90/90/41/564909041.db2.gz FBMGOBIPHAYRRB-MRXNPFEDSA-N 1 0 376.444 2.933 20 0 GFADRO CN(C)C(=O)C1(C[NH2+]C[C@H](O)COc2c(Cl)cccc2Cl)CCCC1 ZINC000583866956 564911093 /nfs/dbraw/zinc/91/10/93/564911093.db2.gz MRNGBOISIAWVGP-ZDUSSCGKSA-N 1 0 389.323 2.971 20 0 GFADRO C[C@@H](C1CC[NH+](C)CC1)N(C)S(=O)(=O)c1ccccc1OC(F)(F)F ZINC000498883858 564911466 /nfs/dbraw/zinc/91/14/66/564911466.db2.gz MDLHSARNYJPSBQ-LBPRGKRZSA-N 1 0 380.432 2.936 20 0 GFADRO C[C@@]1(C(=O)NCc2ccc(I)c(Cl)c2)CC[NH2+]C1 ZINC000583929123 564913813 /nfs/dbraw/zinc/91/38/13/564913813.db2.gz HBPWIVALLNIBGE-CYBMUJFWSA-N 1 0 378.641 2.560 20 0 GFADRO CCC[N@H+](CC)CCNC(=O)C(=O)NCc1c(C)cc(Br)cc1C ZINC000583955487 564914171 /nfs/dbraw/zinc/91/41/71/564914171.db2.gz SNCNEQWGSDZMMJ-UHFFFAOYSA-N 1 0 398.345 2.530 20 0 GFADRO C[C@H](CCNS(=O)(=O)c1ccccc1)[NH2+]Cc1ccc(Br)o1 ZINC000558792277 564915082 /nfs/dbraw/zinc/91/50/82/564915082.db2.gz ZPYMTBRMTVXDLP-GFCCVEGCSA-N 1 0 387.299 2.889 20 0 GFADRO COc1cc(Br)ccc1[C@@H](C)NC(=O)COC1CCC([NH3+])CC1 ZINC000583993053 564915959 /nfs/dbraw/zinc/91/59/59/564915959.db2.gz VBIKYMHMFVXCER-LMWSTFAQSA-N 1 0 385.302 2.921 20 0 GFADRO CC(C)(C)N1CC[C@@H]([NH2+]CCNS(C)(=O)=O)[C@H]1c1ccc(Cl)c(F)c1 ZINC000558896482 564917986 /nfs/dbraw/zinc/91/79/86/564917986.db2.gz KOASOGDJLQZIDS-HZPDHXFCSA-N 1 0 391.940 2.532 20 0 GFADRO C[C@@H]1[C@@H](NC(=O)c2ccn(-c3ccc(Br)cc3)n2)CCC[N@@H+]1C ZINC000499122136 564918692 /nfs/dbraw/zinc/91/86/92/564918692.db2.gz QZFYOQREUGDWST-DOMZBBRYSA-N 1 0 377.286 2.847 20 0 GFADRO CCS[C@H]1CC[C@@H]([N@H+](C)CC(=O)N2CCN(Cc3ccsc3)CC2)C1 ZINC000464779360 564918863 /nfs/dbraw/zinc/91/88/63/564918863.db2.gz YHQKOYBNOBHRNF-MSOLQXFVSA-N 1 0 381.611 2.998 20 0 GFADRO C[NH+](C)CCn1nccc1NC(=O)c1[nH]c2ccccc2c1Br ZINC000584072693 564919145 /nfs/dbraw/zinc/91/91/45/564919145.db2.gz ASIRXUZWOLCPOU-UHFFFAOYSA-N 1 0 376.258 2.941 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)N1CCC([C@@H](O)C(F)(F)F)CC1)c1cccs1 ZINC000531738978 564919206 /nfs/dbraw/zinc/91/92/06/564919206.db2.gz JOWYIQDIOSYRBM-TZMCWYRMSA-N 1 0 379.448 2.696 20 0 GFADRO C[NH+]1CCC(n2ccc(NC(=O)NCc3csc(Br)c3)n2)CC1 ZINC000559069025 564921855 /nfs/dbraw/zinc/92/18/55/564921855.db2.gz RUZAOHAWIAWKMG-UHFFFAOYSA-N 1 0 398.330 3.296 20 0 GFADRO COc1cc(Br)cc(S(=O)(=O)Nc2cc[nH+]c(N(C)C)c2)c1 ZINC000584143814 564922555 /nfs/dbraw/zinc/92/25/55/564922555.db2.gz RMXOXYPSSNUVHS-UHFFFAOYSA-N 1 0 386.271 2.720 20 0 GFADRO COc1cc(Cl)c(S(=O)(=O)N2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc1OC ZINC000584163660 564923215 /nfs/dbraw/zinc/92/32/15/564923215.db2.gz WQGIFDUMEAAYKW-GXTWGEPZSA-N 1 0 388.917 2.510 20 0 GFADRO C[C@@H]1C[C@@H](N(C)S(=O)(=O)c2c(F)cccc2OC(F)(F)F)CC[N@@H+]1C ZINC000584164113 564923506 /nfs/dbraw/zinc/92/35/06/564923506.db2.gz FWHQXSQTYBREDG-MNOVXSKESA-N 1 0 384.395 2.828 20 0 GFADRO CCC(CC)NC(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000559327434 564930484 /nfs/dbraw/zinc/93/04/84/564930484.db2.gz SLTWCJMDIHOIGT-UHFFFAOYSA-N 1 0 398.345 2.644 20 0 GFADRO COCCC[N@H+](C)CCNC(=O)NC(C)(C)c1nc(C(F)(F)F)cs1 ZINC000466064076 564935095 /nfs/dbraw/zinc/93/50/95/564935095.db2.gz AUJZPRGEJPRJOG-UHFFFAOYSA-N 1 0 382.452 2.665 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)N(C)CCOc2ccc(Br)cc2)CC[N@@H+]1C ZINC000466042915 564935416 /nfs/dbraw/zinc/93/54/16/564935416.db2.gz RHSDREDRSLMXNL-HIFRSBDPSA-N 1 0 384.318 2.952 20 0 GFADRO Cc1sc(C(=O)N2CCC(C[N@@H+](C)C(C)C)CC2)cc1CS(C)(=O)=O ZINC000532365369 564935975 /nfs/dbraw/zinc/93/59/75/564935975.db2.gz DPJQKPRVFOPWRH-UHFFFAOYSA-N 1 0 386.583 2.794 20 0 GFADRO C[C@@H]1[C@@H](NC(=O)C(=O)Nc2cc(Cl)ccc2C(F)(F)F)CCC[N@@H+]1C ZINC000499810786 564937130 /nfs/dbraw/zinc/93/71/30/564937130.db2.gz JXDYAINYBHBTAH-SKDRFNHKSA-N 1 0 377.794 2.896 20 0 GFADRO COCC[N@@H+]1CC[C@@H](NC(=O)N2Cc3cc(Br)ccc3C[C@H]2C)C1 ZINC000499803874 564937195 /nfs/dbraw/zinc/93/71/95/564937195.db2.gz SVFMSYSGKCFTLO-CXAGYDPISA-N 1 0 396.329 2.626 20 0 GFADRO COc1ccc(C[NH2+]CCCNS(=O)(=O)c2ccccc2Cl)cc1F ZINC000466384455 564939858 /nfs/dbraw/zinc/93/98/58/564939858.db2.gz XFOXPQBDKPLXKE-UHFFFAOYSA-N 1 0 386.876 2.946 20 0 GFADRO CC[NH+](CC)[C@H](CNC(=O)C(=O)N1CCC[C@@H]1CSC)c1ccsc1 ZINC000559741673 564940067 /nfs/dbraw/zinc/94/00/67/564940067.db2.gz NVIRTHCOUHXFHP-HZPDHXFCSA-N 1 0 383.583 2.601 20 0 GFADRO C[N@H+](CC(=O)NCc1cc2cc(Br)ccc2[nH]1)[C@@H]1CCSC1 ZINC000466414766 564940458 /nfs/dbraw/zinc/94/04/58/564940458.db2.gz RROGKPXWPLXINM-CQSZACIVSA-N 1 0 382.327 2.984 20 0 GFADRO O=C(NCc1c(Cl)cccc1Cl)C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000559800741 564940494 /nfs/dbraw/zinc/94/04/94/564940494.db2.gz JTLZVSNDOWYPEP-GFCCVEGCSA-N 1 0 384.307 2.743 20 0 GFADRO O=C(NCc1c(Cl)cccc1Cl)C(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000559804377 564940638 /nfs/dbraw/zinc/94/06/38/564940638.db2.gz JLMNXOXBWJLMPI-CYBMUJFWSA-N 1 0 384.307 2.696 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)C[N@@H+]1C[C@H](C)C[C@@H]1C ZINC000532574205 564940978 /nfs/dbraw/zinc/94/09/78/564940978.db2.gz PYWLGPBNSACHDT-OCCSQVGLSA-N 1 0 396.329 2.885 20 0 GFADRO OC[C@@H](C[NH2+]Cc1cc(Br)c2c(c1)OCCO2)Cc1ccco1 ZINC000532675579 564942366 /nfs/dbraw/zinc/94/23/66/564942366.db2.gz VFVRCLRWZKWVTC-CYBMUJFWSA-N 1 0 382.254 2.754 20 0 GFADRO C[C@H](CNC(=O)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C)Oc1ccc(Br)cc1 ZINC000466550392 564943195 /nfs/dbraw/zinc/94/31/95/564943195.db2.gz JBIYNOSVCFRGSV-XNJGSVPQSA-N 1 0 396.329 2.998 20 0 GFADRO COCCNC(=O)[C@H](Cc1ccccc1)[NH2+]Cc1ccc(Br)cc1 ZINC000532783197 564946013 /nfs/dbraw/zinc/94/60/13/564946013.db2.gz RWAFNEXUBYIRNI-SFHVURJKSA-N 1 0 391.309 2.913 20 0 GFADRO CC(C)(C)C[N@H+](CCCO)Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000532958891 564950901 /nfs/dbraw/zinc/95/09/01/564950901.db2.gz YQBAPXXXHKJLCM-UHFFFAOYSA-N 1 0 382.302 2.688 20 0 GFADRO CNS(=O)(=O)[C@@H]1CCC[N@H+](CC/C=C\c2ccc(Br)cc2)C1 ZINC000533382109 564961403 /nfs/dbraw/zinc/96/14/03/564961403.db2.gz BAGZBCBRMMAOPR-SVERHTFXSA-N 1 0 387.343 2.866 20 0 GFADRO COc1cc2c(cc1F)CC[C@H]2[NH2+]CCNS(=O)(=O)c1ccc(C)s1 ZINC000467375948 564961518 /nfs/dbraw/zinc/96/15/18/564961518.db2.gz HMGHVQYCCLDZQC-OAHLLOKOSA-N 1 0 384.498 2.760 20 0 GFADRO CC[N@@H+]1CC[C@@H](Nc2cnc(N3CCOCC3)c(Br)c2)[C@H](C)C1 ZINC000467435327 564963601 /nfs/dbraw/zinc/96/36/01/564963601.db2.gz RZPNXSJEXDFYCT-CZUORRHYSA-N 1 0 383.334 2.823 20 0 GFADRO CCOc1c(Cl)cc(NC(=O)C(=O)N2CCC([NH+](C)C)CC2)cc1Cl ZINC000467481382 564964120 /nfs/dbraw/zinc/96/41/20/564964120.db2.gz BQKQIZURTGDGON-UHFFFAOYSA-N 1 0 388.295 2.883 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)Cc2cc(=O)n3cc(Br)ccc3n2)[C@H](C)C1 ZINC000533531173 564964870 /nfs/dbraw/zinc/96/48/70/564964870.db2.gz QZCPVAGAQVIQIS-CZUORRHYSA-N 1 0 393.329 2.619 20 0 GFADRO C[N@@H+]1CCC[C@H](CNC(=O)c2cc(Br)cnc2OCC2CC2)C1 ZINC000560493820 564965415 /nfs/dbraw/zinc/96/54/15/564965415.db2.gz XRJJLOLWMWBREX-CYBMUJFWSA-N 1 0 382.302 2.705 20 0 GFADRO O=C(COc1ccsc1Cl)NC[C@H]1C[C@H](O)C[N@H+]1Cc1ccccc1 ZINC000560614485 564970099 /nfs/dbraw/zinc/97/00/99/564970099.db2.gz GCDLJSAJQXPBRT-CABCVRRESA-N 1 0 380.897 2.532 20 0 GFADRO CC[C@@]1(C(=O)NC[C@H]2CCN(c3ccc(Br)cc3)C2)CCC[NH2+]1 ZINC000467714572 564970316 /nfs/dbraw/zinc/97/03/16/564970316.db2.gz RCRVXDNZYLXALO-KDOFPFPSSA-N 1 0 380.330 2.924 20 0 GFADRO C[C@@H](NS(=O)(=O)c1ccc(OCC(F)(F)F)cc1)C(C)(C)C[NH+](C)C ZINC000467774492 564972026 /nfs/dbraw/zinc/97/20/26/564972026.db2.gz YQBJNGLCKRXMLX-GFCCVEGCSA-N 1 0 382.448 2.882 20 0 GFADRO C[NH+](C)CC1CCN(S(=O)(=O)c2cc(Br)ccc2F)CC1 ZINC000501191521 564973439 /nfs/dbraw/zinc/97/34/39/564973439.db2.gz JAZSGDMCBJVFDF-UHFFFAOYSA-N 1 0 379.295 2.551 20 0 GFADRO COC[C@@H](C)CC(=O)Nc1cc(Br)ccc1N1CC[NH+](C)CC1 ZINC000501215062 564974107 /nfs/dbraw/zinc/97/41/07/564974107.db2.gz ADSAZKGTEWZAMT-ZDUSSCGKSA-N 1 0 384.318 2.812 20 0 GFADRO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]Cc1ccc(N2CCCC2)nc1 ZINC000468069017 564977400 /nfs/dbraw/zinc/97/74/00/564977400.db2.gz ANURPJKRCPTHBZ-AWEZNQCLSA-N 1 0 391.313 2.784 20 0 GFADRO COC(=O)C[C@@H](NC(=O)C[N@@H+]1CC[C@@H](C)C1)c1ccc(Br)cc1 ZINC000561112258 564984926 /nfs/dbraw/zinc/98/49/26/564984926.db2.gz BOTCGYSAKINDOR-IUODEOHRSA-N 1 0 383.286 2.511 20 0 GFADRO CCc1n[nH]c(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)c1Br ZINC000468498821 564985195 /nfs/dbraw/zinc/98/51/95/564985195.db2.gz RNKSLQIPQRFKBA-ZDUSSCGKSA-N 1 0 377.286 2.739 20 0 GFADRO O=C(NCc1cc(Br)cc2c1OCC2)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000561185913 564987177 /nfs/dbraw/zinc/98/71/77/564987177.db2.gz MEMPYIDNFLWHMP-SFHVURJKSA-N 1 0 394.313 2.669 20 0 GFADRO C[NH+]1CCC([C@@H]2CCN(S(=O)(=O)c3ccc(Br)cc3)C2)CC1 ZINC000534406951 564987543 /nfs/dbraw/zinc/98/75/43/564987543.db2.gz SEJJTDXTLAPESB-CQSZACIVSA-N 1 0 387.343 2.802 20 0 GFADRO CN(CCC[NH+]1CCCC1)c1c(Br)cccc1S(C)(=O)=O ZINC000561317309 564990614 /nfs/dbraw/zinc/99/06/14/564990614.db2.gz AHLNBDSFNSFWQK-UHFFFAOYSA-N 1 0 375.332 2.775 20 0 GFADRO CCC[N@H+](CC)CCNS(=O)(=O)c1cc(F)c(Br)cc1F ZINC000534509863 564990945 /nfs/dbraw/zinc/99/09/45/564990945.db2.gz MIKSLGKKAPLUBQ-UHFFFAOYSA-N 1 0 385.274 2.738 20 0 GFADRO CCN(CCC[NH+](C)C)C(=O)NCc1cc(Br)cc2c1OCC2 ZINC000468737072 564992260 /nfs/dbraw/zinc/99/22/60/564992260.db2.gz IJGSOKCBARQOHL-UHFFFAOYSA-N 1 0 384.318 2.867 20 0 GFADRO CCc1n[nH]c(C(=O)N(CC[NH+](C)C)Cc2ccc(C)o2)c1Br ZINC000468801769 564994422 /nfs/dbraw/zinc/99/44/22/564994422.db2.gz CGDGVNKOFGBZTF-UHFFFAOYSA-N 1 0 383.290 2.840 20 0 GFADRO CNC(=O)[C@@H](C)C[N@H+](C)Cc1ccc(I)cc1Cl ZINC000502257871 564995000 /nfs/dbraw/zinc/99/50/00/564995000.db2.gz SQUVNNWLOAHLBH-VIFPVBQESA-N 1 0 380.657 2.759 20 0 GFADRO C[N@H+](CCCO)C1CCN(C(=O)CCc2cc(Br)cs2)CC1 ZINC000534725536 564995648 /nfs/dbraw/zinc/99/56/48/564995648.db2.gz LTUSPRAIJQMQPR-UHFFFAOYSA-N 1 0 389.359 2.748 20 0 GFADRO CC[NH+](CC)C[C@H](C)NC(=O)[C@H]1CC(=O)Nc2ccc(Br)cc21 ZINC000468863361 564996681 /nfs/dbraw/zinc/99/66/81/564996681.db2.gz FBZFJVGQAHLMFR-FZMZJTMJSA-N 1 0 382.302 2.721 20 0 GFADRO CS[C@H]1CN(C(=O)C2(c3cccc(Cl)c3)CCOCC2)C[C@@H]1[NH+](C)C ZINC000534828430 564996952 /nfs/dbraw/zinc/99/69/52/564996952.db2.gz VVNHHHNXUWILBE-IRXDYDNUSA-N 1 0 382.957 2.892 20 0 GFADRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)S(=O)(=O)Cc1ccccc1Br ZINC000561518193 564998113 /nfs/dbraw/zinc/99/81/13/564998113.db2.gz UXFXMANZFSAAPM-DOMZBBRYSA-N 1 0 375.332 2.551 20 0 GFADRO O=S(=O)(Cc1ccccc1Br)NCC1CC[NH+](C2CC2)CC1 ZINC000561542957 565000567 /nfs/dbraw/zinc/00/05/67/565000567.db2.gz FLVPMYNZAXTIMU-UHFFFAOYSA-N 1 0 387.343 2.743 20 0 GFADRO O=C1C[C@H]([C@@H]2CCCC[N@H+]2C[C@H](O)COc2ccc(Cl)cc2Cl)CN1 ZINC000535014819 565002510 /nfs/dbraw/zinc/00/25/10/565002510.db2.gz CPDLBLVDWGFEBP-NOLJZWGESA-N 1 0 387.307 2.724 20 0 GFADRO CC[N@@H+]1C[C@@H](C)N(C(=O)Nc2ccc(NS(C)(=O)=O)c(Cl)c2)C[C@H]1C ZINC000535038006 565003207 /nfs/dbraw/zinc/00/32/07/565003207.db2.gz BZYUENIMWDHCQB-VXGBXAGGSA-N 1 0 388.921 2.658 20 0 GFADRO O[C@@H](C[NH2+][C@@H]1CCC12CCC2)COc1ccc(I)cc1 ZINC000502701394 565003662 /nfs/dbraw/zinc/00/36/62/565003662.db2.gz UASJKOASBSDPDX-DZGCQCFKSA-N 1 0 387.261 2.953 20 0 GFADRO O[C@H](COc1ccc(Br)cc1)C[N@@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000535117617 565004812 /nfs/dbraw/zinc/00/48/12/565004812.db2.gz UHAYTMCYVPJSSX-WBVHZDCISA-N 1 0 384.314 2.937 20 0 GFADRO CCO[C@@H](CC[NH+](C)C)CNC(=O)c1ccc(Br)c(C)c1F ZINC000469104666 565005652 /nfs/dbraw/zinc/00/56/52/565005652.db2.gz UNAWURTURDDDHE-LBPRGKRZSA-N 1 0 375.282 2.983 20 0 GFADRO COc1ccc(Cl)cc1NC(=O)CC[N@@H+]1CCC[C@@H](S(C)(=O)=O)CC1 ZINC000502849925 565006689 /nfs/dbraw/zinc/00/66/89/565006689.db2.gz ZCKIJFDFIUGOBC-CQSZACIVSA-N 1 0 388.917 2.576 20 0 GFADRO CC[C@@H](CO)[NH+]1CCN(C(=O)CCc2nc3cc(Cl)ccc3s2)CC1 ZINC000535425067 565013104 /nfs/dbraw/zinc/01/31/04/565013104.db2.gz KWNUSNQPKHXNOO-AWEZNQCLSA-N 1 0 381.929 2.797 20 0 GFADRO C[C@@H](CCc1ccc(Cl)s1)[NH2+][C@@H]1CCCN(S(=O)(=O)N(C)C)C1 ZINC000562055230 565016366 /nfs/dbraw/zinc/01/63/66/565016366.db2.gz QQLDNTKBZYCUNC-QWHCGFSZSA-N 1 0 379.979 2.583 20 0 GFADRO CC(C)[N@@H+]1CCO[C@@H](C(=O)NCc2ccc(Br)cc2Cl)C1 ZINC000469624255 565022628 /nfs/dbraw/zinc/02/26/28/565022628.db2.gz ZCNIIAOCTUIEES-CQSZACIVSA-N 1 0 375.694 2.828 20 0 GFADRO C[C@H](C[N@H+](C)CCC(=O)N1CCOCC1)Oc1ccc(Cl)c(Cl)c1 ZINC000469742841 565025354 /nfs/dbraw/zinc/02/53/54/565025354.db2.gz UWLWWSVASQDHNP-CYBMUJFWSA-N 1 0 375.296 2.941 20 0 GFADRO O=C(NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)N[C@H](CO)CC(F)F ZINC000562361802 565025830 /nfs/dbraw/zinc/02/58/30/565025830.db2.gz AFKXRQUCAVRXCH-SWLSCSKDSA-N 1 0 375.847 2.792 20 0 GFADRO CCOC(=O)[C@H](Cc1cc(Cl)cc(Cl)c1)NC(=O)C[NH+](CC)CC ZINC000503678652 565026394 /nfs/dbraw/zinc/02/63/94/565026394.db2.gz BKBCKDSAWIFEGF-HNNXBMFYSA-N 1 0 375.296 2.926 20 0 GFADRO Cc1csc(C(=O)N[C@H]2CCC[N@H+](C)[C@H]2C)c1I ZINC000469821463 565028846 /nfs/dbraw/zinc/02/88/46/565028846.db2.gz NWUNSVAWXOBPFT-UWVGGRQHSA-N 1 0 378.279 2.874 20 0 GFADRO O[C@@H](C[NH2+]Cc1ccc2c(c1)OCO2)COc1cc(F)cc(Br)c1 ZINC000562450029 565029979 /nfs/dbraw/zinc/02/99/79/565029979.db2.gz WGZGFHCWVHBZEK-AWEZNQCLSA-N 1 0 398.228 2.846 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S(=O)(=O)CC[NH2+][C@@H]1CCC[C@H](C)C1 ZINC000562462298 565030697 /nfs/dbraw/zinc/03/06/97/565030697.db2.gz HGNZWAMLXXYIQP-JKSUJKDBSA-N 1 0 387.567 2.812 20 0 GFADRO O=C([C@H]1CCCN(Cc2csc(-c3cccs3)n2)C1)N1CC[NH2+]CC1 ZINC000470004356 565034521 /nfs/dbraw/zinc/03/45/21/565034521.db2.gz XOTBESMMAOQYSD-AWEZNQCLSA-N 1 0 376.551 2.515 20 0 GFADRO CN(CC[NH+]1CCCC1)C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000536362398 565035404 /nfs/dbraw/zinc/03/54/04/565035404.db2.gz FSXLYCBVBRVHLH-CQSZACIVSA-N 1 0 391.737 2.870 20 0 GFADRO C[C@H](CO)[N@@H+]1CCCN(C(=O)CCOc2cccc(Cl)c2Cl)CC1 ZINC000470069267 565037334 /nfs/dbraw/zinc/03/73/34/565037334.db2.gz CXMABHYQAKTVKX-CYBMUJFWSA-N 1 0 375.296 2.677 20 0 GFADRO C[C@H](Oc1ccccc1Br)C(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000470069281 565037382 /nfs/dbraw/zinc/03/73/82/565037382.db2.gz CZAKACHBWWIGRY-GJZGRUSLSA-N 1 0 399.329 2.834 20 0 GFADRO COc1ccc2c(c1)OC[C@@H]([NH2+][C@@H](C(N)=O)c1cccc(Br)c1)C2 ZINC000504388166 565039052 /nfs/dbraw/zinc/03/90/52/565039052.db2.gz OOTHJAZLSMKSTP-WMLDXEAASA-N 1 0 391.265 2.577 20 0 GFADRO CN(Cc1cc(Br)ccc1F)C(=O)C[N@H+](C)[C@@H]1CCSC1 ZINC000536538388 565039968 /nfs/dbraw/zinc/03/99/68/565039968.db2.gz UDOHDSCOMRTJTO-CYBMUJFWSA-N 1 0 375.307 2.984 20 0 GFADRO C[N@H+](Cc1cc(Br)cc2cccnc21)C1CCN(CCO)CC1 ZINC000470198446 565040436 /nfs/dbraw/zinc/04/04/36/565040436.db2.gz RUADJTBDCLTVNM-UHFFFAOYSA-N 1 0 378.314 2.886 20 0 GFADRO O=C(N[C@@H](CO)c1ccc(Br)cc1)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000504806599 565044501 /nfs/dbraw/zinc/04/45/01/565044501.db2.gz QRNFIALKLKKQML-WBVHZDCISA-N 1 0 396.329 2.799 20 0 GFADRO CC[NH2+]CCCNC(=O)C(=O)N1CCC[C@@H]1c1ccc(Br)c(C)c1 ZINC000562831642 565044560 /nfs/dbraw/zinc/04/45/60/565044560.db2.gz CKYKRCZAGFWMNJ-MRXNPFEDSA-N 1 0 396.329 2.537 20 0 GFADRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N(CCO)Cc1ccc(Cl)c(Cl)c1 ZINC000504830180 565044982 /nfs/dbraw/zinc/04/49/82/565044982.db2.gz FIPNVZQPXVHQTP-PXAZEXFGSA-N 1 0 386.323 2.980 20 0 GFADRO CC(C)(C)[N@@H+]1CCCN(C(=O)c2ccc(I)cn2)CC1 ZINC000562878047 565046235 /nfs/dbraw/zinc/04/62/35/565046235.db2.gz VZBKRJBXUZMTSQ-UHFFFAOYSA-N 1 0 387.265 2.633 20 0 GFADRO C[C@H]([NH2+]CCCNC(=O)c1cccs1)c1cccc(NS(C)(=O)=O)c1 ZINC000536867271 565048438 /nfs/dbraw/zinc/04/84/38/565048438.db2.gz BUNSCSMSNANXAE-ZDUSSCGKSA-N 1 0 381.523 2.590 20 0 GFADRO CNC(=O)[C@H]1CCC[C@H]1[NH2+]C1CCN(Cc2ccccc2Br)CC1 ZINC000536892553 565049081 /nfs/dbraw/zinc/04/90/81/565049081.db2.gz GYTQSDLUTKHSKD-FUHWJXTLSA-N 1 0 394.357 2.918 20 0 GFADRO COC[C@]1(C(=O)N2CCc3sc(-c4csc(C)n4)cc3C2)CC[NH2+]C1 ZINC000562961572 565049166 /nfs/dbraw/zinc/04/91/66/565049166.db2.gz WOOALRHTTGHRKF-SFHVURJKSA-N 1 0 377.535 2.691 20 0 GFADRO C[C@]1(CNC(=O)c2ccc(S(=O)(=O)c3ccccc3)s2)CCC[NH2+]C1 ZINC000562973416 565049729 /nfs/dbraw/zinc/04/97/29/565049729.db2.gz GLOUZYOWLUVTPB-SFHVURJKSA-N 1 0 378.519 2.700 20 0 GFADRO O=C(c1c(F)cccc1I)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000562979367 565050713 /nfs/dbraw/zinc/05/07/13/565050713.db2.gz PXJBNMDGVDEKMO-OAHLLOKOSA-N 1 0 388.224 2.646 20 0 GFADRO O[C@H](C[NH2+]CCCNc1ccccn1)COc1cccc(Br)c1 ZINC000562993897 565051421 /nfs/dbraw/zinc/05/14/21/565051421.db2.gz RCARHQQNTHWORO-OAHLLOKOSA-N 1 0 380.286 2.676 20 0 GFADRO COc1ncc(C(=O)N[C@@H]2C[N@H+](C)C[C@@H]2c2ccccc2)cc1Br ZINC000563009099 565052037 /nfs/dbraw/zinc/05/20/37/565052037.db2.gz BOTSZTQWGJOMQE-GDBMZVCRSA-N 1 0 390.281 2.680 20 0 GFADRO CC(C)[N@@H+]1CCC[C@H](NC(=O)Cc2cccc(I)c2)C1 ZINC000470668046 565052393 /nfs/dbraw/zinc/05/23/93/565052393.db2.gz DEFBNXHHRNKAGJ-HNNXBMFYSA-N 1 0 386.277 2.823 20 0 GFADRO Cc1nc(-c2ccc([C@H](C)[NH2+]CC3(O)CCS(=O)(=O)CC3)cc2)cs1 ZINC000537079310 565052599 /nfs/dbraw/zinc/05/25/99/565052599.db2.gz MGCLNYKRRBTGGO-ZDUSSCGKSA-N 1 0 380.535 2.709 20 0 GFADRO C[C@H](CNS(=O)(=O)Cc1ccc(Br)cc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000470753486 565054920 /nfs/dbraw/zinc/05/49/20/565054920.db2.gz BSUYVVZGNSXCHM-ZIAGYGMSSA-N 1 0 389.359 2.989 20 0 GFADRO O=C(c1c(Cl)cccc1I)N1CC[NH+]2CCC1CC2 ZINC000470772324 565055474 /nfs/dbraw/zinc/05/54/74/565055474.db2.gz JHWDCEBBXRNKGN-UHFFFAOYSA-N 1 0 390.652 2.865 20 0 GFADRO CCn1cc(C(=O)N[C@H](CC[NH3+])C(F)(F)F)c(=O)c2cc(Cl)ccc21 ZINC000563116538 565055999 /nfs/dbraw/zinc/05/59/99/565055999.db2.gz KKBIDAXNZJITNK-CYBMUJFWSA-N 1 0 375.778 2.684 20 0 GFADRO [NH3+]C[C@@H]1CCCN(S(=O)(=O)c2ccc3ccccc3c2Br)C1 ZINC000563119620 565056497 /nfs/dbraw/zinc/05/64/97/565056497.db2.gz WZOKTNSHJLHCJA-LBPRGKRZSA-N 1 0 383.311 2.962 20 0 GFADRO O=S(=O)(c1ccc(Br)c(Cl)c1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000563138115 565056994 /nfs/dbraw/zinc/05/69/94/565056994.db2.gz KECDZDCOYCZDJY-CQSZACIVSA-N 1 0 393.734 2.867 20 0 GFADRO OC[C@@H](C[NH2+]C[C@@H](O)CC(F)(F)F)Cc1ccc(F)c(Br)c1 ZINC000563137973 565056998 /nfs/dbraw/zinc/05/69/98/565056998.db2.gz JPHMGIIEARSGNI-MNOVXSKESA-N 1 0 388.199 2.642 20 0 GFADRO C[C@H]1C[C@H](NS(=O)(=O)Cc2cc(Cl)ccc2Br)CC[NH2+]1 ZINC000563138158 565057025 /nfs/dbraw/zinc/05/70/25/565057025.db2.gz RLNBBBHRHIESQU-JOYOIKCWSA-N 1 0 381.723 2.662 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H](CNS(=O)(=O)c2cc(Cl)ccc2Br)C1 ZINC000563130164 565057034 /nfs/dbraw/zinc/05/70/34/565057034.db2.gz UJVOABRAPCBYSH-MWLCHTKSSA-N 1 0 381.723 2.898 20 0 GFADRO CN(C)C(=O)CN1CCC([NH2+][C@H]2CCCc3ccc(Br)cc32)CC1 ZINC000537764014 565062580 /nfs/dbraw/zinc/06/25/80/565062580.db2.gz LEJMGSCVYLOWNH-SFHVURJKSA-N 1 0 394.357 2.969 20 0 GFADRO Cc1cc(C(C)(C)[NH2+]CCN2CCCS2(=O)=O)ccc1Br ZINC000584320439 565076232 /nfs/dbraw/zinc/07/62/32/565076232.db2.gz UCRUYIHILYZINJ-UHFFFAOYSA-N 1 0 375.332 2.618 20 0 GFADRO Cn1ncc(Cl)c1S(=O)(=O)N[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000684661329 565078282 /nfs/dbraw/zinc/07/82/82/565078282.db2.gz WZJKNHBQHOUFIO-INIZCTEOSA-N 1 0 382.917 2.579 20 0 GFADRO O=S(=O)(Cc1cc(Cl)ccc1Br)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000584412792 565078895 /nfs/dbraw/zinc/07/88/95/565078895.db2.gz ZSBHVDQFSZXDHX-YGRLFVJLSA-N 1 0 393.734 2.616 20 0 GFADRO CSc1cc(N2CCC(C)(C[NH+]3CCN(C)CC3)CC2)nc(SC)n1 ZINC000584421369 565080545 /nfs/dbraw/zinc/08/05/45/565080545.db2.gz NSNBTNWPHDQOLY-UHFFFAOYSA-N 1 0 381.615 2.774 20 0 GFADRO O=C(NCc1nnc(C2CC2)s1)NCC1([NH+]2CCSCC2)CCCC1 ZINC000584456641 565081183 /nfs/dbraw/zinc/08/11/83/565081183.db2.gz WVZXBHHVXKJUGT-UHFFFAOYSA-N 1 0 381.571 2.576 20 0 GFADRO O=C(NCc1nc2c(cccc2Br)[nH]1)N1CCC2(CC[NH2+]C2)CC1 ZINC000584459635 565081391 /nfs/dbraw/zinc/08/13/91/565081391.db2.gz DABYGMGBXNEFME-UHFFFAOYSA-N 1 0 392.301 2.611 20 0 GFADRO CC[C@H]1C[N@H+](C)CCCN1C(=O)CCNC(=O)c1ccc(Br)cc1 ZINC000684823321 565083771 /nfs/dbraw/zinc/08/37/71/565083771.db2.gz RTTGABKMRAFIHE-INIZCTEOSA-N 1 0 396.329 2.512 20 0 GFADRO CC[C@@H](Cc1ccccc1Br)C(=O)N1CCC[C@](O)(C[NH+](C)C)C1 ZINC000684845518 565084705 /nfs/dbraw/zinc/08/47/05/565084705.db2.gz RHXYQOFFLJIDDC-KXBFYZLASA-N 1 0 397.357 2.933 20 0 GFADRO C[NH+](C)C1CCN(S(=O)(=O)c2ccc(Cl)cc2Br)CC1 ZINC000684901952 565087780 /nfs/dbraw/zinc/08/77/80/565087780.db2.gz IHWILFLWYVEIKR-UHFFFAOYSA-N 1 0 381.723 2.817 20 0 GFADRO O=C(Cc1cc2c(cc1Br)OCCO2)N[C@H]1C[C@@H]([NH+]2CCCC2)C1 ZINC000636092068 565089901 /nfs/dbraw/zinc/08/99/01/565089901.db2.gz JYJCZMTVGCJZOV-OKILXGFUSA-N 1 0 395.297 2.506 20 0 GFADRO CC(C)[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)N[C@H]1C[C@@H]([NH+]2CCCC2)C1 ZINC000636102564 565090145 /nfs/dbraw/zinc/09/01/45/565090145.db2.gz YHQFSRZMFPAZQX-DVOMOZLQSA-N 1 0 383.945 2.899 20 0 GFADRO CC[C@H](C)[C@H](O)C[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000584598846 565090245 /nfs/dbraw/zinc/09/02/45/565090245.db2.gz NLIXFUKRUXVYIW-ZKYQVNSYSA-N 1 0 380.710 2.839 20 0 GFADRO C[NH+](C)C[C@]1(O)CCCN(C(=O)CCCc2ccc(Br)s2)C1 ZINC000614070028 565093710 /nfs/dbraw/zinc/09/37/10/565093710.db2.gz HUZDERBHAVLJDD-MRXNPFEDSA-N 1 0 389.359 2.748 20 0 GFADRO O=C1NCCC[C@H]1C[NH2+]C1CCN(Cc2ccccc2Br)CC1 ZINC000657282926 565095822 /nfs/dbraw/zinc/09/58/22/565095822.db2.gz KWKUDWLJNSJGNS-AWEZNQCLSA-N 1 0 380.330 2.529 20 0 GFADRO Cc1ncsc1-c1ccc(C[NH2+]CC2CCN(S(C)(=O)=O)CC2)cc1 ZINC000657340028 565096940 /nfs/dbraw/zinc/09/69/40/565096940.db2.gz WKTWIACIJXKYPC-UHFFFAOYSA-N 1 0 379.551 2.880 20 0 GFADRO Cc1nc(C[NH2+]CCC(=O)N(C)Cc2ccccc2Br)[nH]c1C ZINC000657356159 565097088 /nfs/dbraw/zinc/09/70/88/565097088.db2.gz BWTSFMHVBRNSNU-UHFFFAOYSA-N 1 0 379.302 2.927 20 0 GFADRO C[C@H]1CCN(S(=O)(=O)Cc2cc(Cl)ccc2Br)C[C@H]1C[NH3+] ZINC000584781083 565097506 /nfs/dbraw/zinc/09/75/06/565097506.db2.gz CVIHYQGBKAAEIL-CMPLNLGQSA-N 1 0 395.750 2.849 20 0 GFADRO Cn1ncc(C2CC2)c1C[NH2+]CCCNC(=O)c1ccc(Br)cc1 ZINC000657342136 565097901 /nfs/dbraw/zinc/09/79/01/565097901.db2.gz HLCBMYVGLDGOFY-UHFFFAOYSA-N 1 0 391.313 2.970 20 0 GFADRO Cn1ncc(C2CCC2)c1C[NH2+]CCNC(=O)c1cccc(Br)c1 ZINC000657360405 565099883 /nfs/dbraw/zinc/09/98/83/565099883.db2.gz GLTUBCNPVFWGSO-UHFFFAOYSA-N 1 0 391.313 2.970 20 0 GFADRO CN(C)C(=O)[C@@H]1CC[C@@H](C[NH2+]Cc2cc3cc(Br)ccc3o2)O1 ZINC000657426953 565100068 /nfs/dbraw/zinc/10/00/68/565100068.db2.gz MVCAHEFKYHUQNN-BBRMVZONSA-N 1 0 381.270 2.921 20 0 GFADRO Cc1ncsc1-c1ccc(C[NH2+][C@@H]2CCC[C@@H]2CNS(C)(=O)=O)cc1 ZINC000657459563 565101202 /nfs/dbraw/zinc/10/12/02/565101202.db2.gz XUZUVGJJTYJLGN-IAGOWNOFSA-N 1 0 379.551 2.926 20 0 GFADRO Cn1ncc(C(F)(F)F)c1C[NH2+]CCCCn1cc(Br)cn1 ZINC000657453381 565101370 /nfs/dbraw/zinc/10/13/70/565101370.db2.gz VZTYDBMWTIQOEZ-UHFFFAOYSA-N 1 0 380.212 2.968 20 0 GFADRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N(C)Cc1ccc(Cl)c(Cl)c1 ZINC000685310177 565104025 /nfs/dbraw/zinc/10/40/25/565104025.db2.gz GQVPIQDGOAYMQH-ZBEGNZNMSA-N 1 0 384.307 2.551 20 0 GFADRO CC(C)[N@H+](C)CCCNC(=O)C(=O)Nc1ccc(F)c(Br)c1F ZINC000657522726 565106213 /nfs/dbraw/zinc/10/62/13/565106213.db2.gz LMCWZTHQKHWWGD-UHFFFAOYSA-N 1 0 392.244 2.512 20 0 GFADRO COCC[N@@H+]1CCC[C@@H](NC(=O)c2nc3ccccc3cc2Br)C1 ZINC000685432731 565107016 /nfs/dbraw/zinc/10/70/16/565107016.db2.gz PXUQJSFFVCVBKM-CQSZACIVSA-N 1 0 392.297 2.838 20 0 GFADRO COc1ccc(C)cc1C[NH2+]CCNC(=O)c1ccc(Br)cn1 ZINC000657562346 565108901 /nfs/dbraw/zinc/10/89/01/565108901.db2.gz GCONAIGYKZEZNW-UHFFFAOYSA-N 1 0 378.270 2.681 20 0 GFADRO CO[C@H]1CCC[C@@H]([NH2+]CC(=O)Nc2ccc(I)cc2)C1 ZINC000585743346 565109005 /nfs/dbraw/zinc/10/90/05/565109005.db2.gz MTUIJLABJLAKQN-KGLIPLIRSA-N 1 0 388.249 2.777 20 0 GFADRO CCOc1cccc(C[NH2+]CCNC(=O)c2ccc(Br)cn2)c1 ZINC000657564746 565109216 /nfs/dbraw/zinc/10/92/16/565109216.db2.gz ZDMSKICCMAFHDB-UHFFFAOYSA-N 1 0 378.270 2.762 20 0 GFADRO CO[C@@H]1CCC[C@H]([C@@H](CO)[NH2+]Cc2cc3c(cc2Br)OCO3)C1 ZINC000657578629 565110165 /nfs/dbraw/zinc/11/01/65/565110165.db2.gz TXPQBPKKMDVHPH-NJZAAPMLSA-N 1 0 386.286 2.834 20 0 GFADRO CC(C)[NH+]1CCC(C(=O)Nc2ccc(Cl)c(S(=O)(=O)N(C)C)c2)CC1 ZINC000636456664 565111979 /nfs/dbraw/zinc/11/19/79/565111979.db2.gz GPGFQXHFATYOPA-UHFFFAOYSA-N 1 0 387.933 2.649 20 0 GFADRO FC1(F)C[C@@H]1OCC[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000657617973 565113216 /nfs/dbraw/zinc/11/32/16/565113216.db2.gz AVILSICUWPDFQF-HNNXBMFYSA-N 1 0 391.256 2.800 20 0 GFADRO O=C1CCCCN1CCC[NH2+]Cc1cn(-c2ccccc2Br)nn1 ZINC000685615498 565116149 /nfs/dbraw/zinc/11/61/49/565116149.db2.gz YHAAAUKOSMZEBB-UHFFFAOYSA-N 1 0 392.301 2.522 20 0 GFADRO COC[C@]1(C[NH2+][C@H](C)Cn2cc(Br)cn2)OCCc2ccccc21 ZINC000685655669 565118793 /nfs/dbraw/zinc/11/87/93/565118793.db2.gz KHXFJLYJRIBQKB-KDOFPFPSSA-N 1 0 394.313 2.738 20 0 GFADRO CCN1CCN(C(=O)C2(c3cccc(Br)c3)CC(=O)C2)C[C@@H]1C ZINC000685797635 565123012 /nfs/dbraw/zinc/12/30/12/565123012.db2.gz FTVOWORZKIQJQK-ZDUSSCGKSA-N 1 0 379.298 2.602 20 0 GFADRO C[C@H](CNS(=O)(=O)c1ccc(F)cc1Br)[N@@H+]1CCC[C@H](C)C1 ZINC000614605861 565123317 /nfs/dbraw/zinc/12/33/17/565123317.db2.gz PBDJRWRFSNTQPE-NWDGAFQWSA-N 1 0 393.322 2.987 20 0 GFADRO CSc1ccc(C[NH2+]C[C@@]2(CO)COCCN2Cc2ccccc2)s1 ZINC000657745061 565125670 /nfs/dbraw/zinc/12/56/70/565125670.db2.gz PDBIHHLGTBPVRJ-LJQANCHMSA-N 1 0 378.563 2.823 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]CC1CCC(O)CC1 ZINC000657740363 565125749 /nfs/dbraw/zinc/12/57/49/565125749.db2.gz ODTWVNOYYAXMQO-FUJMWEONSA-N 1 0 399.329 2.603 20 0 GFADRO CN1CCC2(CC[NH+](Cc3cn4ccc(Br)cc4n3)CC2)C1=O ZINC000685845104 565126770 /nfs/dbraw/zinc/12/67/70/565126770.db2.gz IMTLSIHEHYUJIW-UHFFFAOYSA-N 1 0 377.286 2.541 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]C[C@@H]1CCOC1(C)C ZINC000657784915 565130087 /nfs/dbraw/zinc/13/00/87/565130087.db2.gz ALEMRWMWOOFRLY-JSGCOSHPSA-N 1 0 399.329 2.867 20 0 GFADRO CC[C@@H](Cc1ccc(Br)cc1)[NH2+][C@H]1CCCN(S(C)(=O)=O)C1 ZINC000657858898 565134161 /nfs/dbraw/zinc/13/41/61/565134161.db2.gz MNSCPMJUISXKOJ-HOTGVXAUSA-N 1 0 389.359 2.784 20 0 GFADRO O=C(NC[C@H]1CCCC[N@@H+]1C1CC1)C(=O)Nc1cccc(Br)c1F ZINC000657903753 565135754 /nfs/dbraw/zinc/13/57/54/565135754.db2.gz GETIRCOSXJSRBP-GFCCVEGCSA-N 1 0 398.276 2.660 20 0 GFADRO Cn1c(SCC(=O)NCC2([NH+](C)C)CCCC2)nnc1-c1cccs1 ZINC000588638219 565136002 /nfs/dbraw/zinc/13/60/02/565136002.db2.gz RMMCNMOCVOPUOY-UHFFFAOYSA-N 1 0 379.555 2.626 20 0 GFADRO CC[C@@H](Cc1ccc(Br)cc1)[NH2+][C@@H](CC)C(=O)N1CCOCC1 ZINC000657901904 565136398 /nfs/dbraw/zinc/13/63/98/565136398.db2.gz INZBXCAVMDXIOI-IRXDYDNUSA-N 1 0 383.330 2.997 20 0 GFADRO CC[C@H](Cc1ccc(Br)cc1)[NH2+][C@H]1CCN(c2cnn(C)c2)C1=O ZINC000657917607 565137400 /nfs/dbraw/zinc/13/74/00/565137400.db2.gz BUOZALGIIORBDE-WBVHZDCISA-N 1 0 391.313 2.899 20 0 GFADRO C[C@@H]1COCC[N@@H+]1C1CCN(C(=O)c2cccc(F)c2Br)CC1 ZINC000615089149 565144763 /nfs/dbraw/zinc/14/47/63/565144763.db2.gz WUHVZHSEHWWNKD-GFCCVEGCSA-N 1 0 385.277 2.914 20 0 GFADRO C[C@H]1COCC[N@@H+]1C1CCN(C(=O)Cc2ccc(Br)s2)CC1 ZINC000615089851 565144901 /nfs/dbraw/zinc/14/49/01/565144901.db2.gz NXQZEVPWQWBBJW-LBPRGKRZSA-N 1 0 387.343 2.765 20 0 GFADRO C[N@@H+]1C[C@H]2CCN(C(=O)c3cc(-c4ccc(Br)cc4)no3)[C@H]2C1 ZINC000615182698 565149781 /nfs/dbraw/zinc/14/97/81/565149781.db2.gz ABYPDYASDOXABR-DOMZBBRYSA-N 1 0 376.254 2.880 20 0 GFADRO O=C(NCC[NH2+][C@@H]1CCc2cccnc2CC1)c1ccc(Br)cn1 ZINC000658096601 565150769 /nfs/dbraw/zinc/15/07/69/565150769.db2.gz RPDLQCIFHBRMAD-OAHLLOKOSA-N 1 0 389.297 2.506 20 0 GFADRO C[C@@H](Oc1cc(Cl)cc(Cl)c1)C(=O)NCCCC[NH+]1CCOCC1 ZINC000589098501 565150807 /nfs/dbraw/zinc/15/08/07/565150807.db2.gz AQJHRFOJKZIEGH-CYBMUJFWSA-N 1 0 375.296 2.989 20 0 GFADRO CC[C@@H]([NH2+]CCO[C@H]1CC1(F)F)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000658169548 565154811 /nfs/dbraw/zinc/15/48/11/565154811.db2.gz GRKZYVCVWNURHF-OCCSQVGLSA-N 1 0 382.860 2.713 20 0 GFADRO C[C@@H]([NH2+]CCCOC(C)(C)C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000658185223 565154970 /nfs/dbraw/zinc/15/49/70/565154970.db2.gz ALVMBWDCZQQQIY-LLVKDONJSA-N 1 0 393.347 2.952 20 0 GFADRO C[N@@H+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)CCc1ccc(Br)cc1F ZINC000615266418 565155112 /nfs/dbraw/zinc/15/51/12/565155112.db2.gz SVSIBDZQUCCQDM-SJORKVTESA-N 1 0 399.304 2.842 20 0 GFADRO NC(=O)CC[C@@H]1CCC[N@H+](C[C@@H](O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000589189265 565155161 /nfs/dbraw/zinc/15/51/61/565155161.db2.gz NAHCOYCLOUFPDO-QWHCGFSZSA-N 1 0 375.296 2.711 20 0 GFADRO CC(=O)c1cc(Br)ccc1OCC(=O)N1CC[C@H]([NH+](C)C)[C@@H]1C ZINC000615302998 565156610 /nfs/dbraw/zinc/15/66/10/565156610.db2.gz PUOXZMRVMWFIEC-NHYWBVRUSA-N 1 0 383.286 2.582 20 0 GFADRO C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1cc(Br)cnc1OCC1CC1 ZINC000615303134 565156746 /nfs/dbraw/zinc/15/67/46/565156746.db2.gz QLZSKZGNISOPIJ-NHYWBVRUSA-N 1 0 382.302 2.798 20 0 GFADRO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)CNC(=O)c1sc2ccccc2c1Cl ZINC000615314079 565157998 /nfs/dbraw/zinc/15/79/98/565157998.db2.gz QFIOFXSWIQUFFG-DGCLKSJQSA-N 1 0 379.913 2.836 20 0 GFADRO CO[C@H]1C[C@@H](CNC(=O)N(CC[NH+](C)C)Cc2ccc(Br)cc2)C1 ZINC000637558184 565160891 /nfs/dbraw/zinc/16/08/91/565160891.db2.gz XVCJNSOHJVVFRT-WOVMCDHWSA-N 1 0 398.345 2.947 20 0 GFADRO [NH3+][C@@H]1CCCN(S(=O)(=O)c2cc(Cl)c(Cl)cc2Br)C1 ZINC000658361257 565160939 /nfs/dbraw/zinc/16/09/39/565160939.db2.gz WKYVLYSRVKTHAH-SSDOTTSWSA-N 1 0 388.114 2.868 20 0 GFADRO O=S(=O)(c1cc(Cl)cc(Br)c1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000658374627 565164004 /nfs/dbraw/zinc/16/40/04/565164004.db2.gz ZGTQYPRRTQKCFA-LBPRGKRZSA-N 1 0 379.707 2.618 20 0 GFADRO [NH3+]CC[C@H]1CCCN(S(=O)(=O)c2cc(Cl)cc(Br)c2)C1 ZINC000658377875 565164660 /nfs/dbraw/zinc/16/46/60/565164660.db2.gz GZNJPZREZHLWRY-SNVBAGLBSA-N 1 0 381.723 2.852 20 0 GFADRO C[NH+](C)C[C@@H]1CCN(C(=O)N[C@@H]2[C@H]3Cc4c(cccc4Br)[C@@H]23)C1 ZINC000637602551 565165274 /nfs/dbraw/zinc/16/52/74/565165274.db2.gz WCMCHSJMGFJWIB-HYEYJGRESA-N 1 0 378.314 2.680 20 0 GFADRO C[C@@H]1CN(S(=O)(=O)c2cc(Cl)ccc2OC(F)(F)F)C[C@@]1(C)C[NH3+] ZINC000658382022 565165921 /nfs/dbraw/zinc/16/59/21/565165921.db2.gz XJGLLRZZHDCPPT-NOZJJQNGSA-N 1 0 386.823 2.844 20 0 GFADRO [NH3+][C@@H]1CCCO[C@H]1C1CCN(S(=O)(=O)Cc2cc(F)ccc2Cl)CC1 ZINC000658382481 565165955 /nfs/dbraw/zinc/16/59/55/565165955.db2.gz LZTRDTIUZNIWQH-SJORKVTESA-N 1 0 390.908 2.527 20 0 GFADRO COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000658399107 565167087 /nfs/dbraw/zinc/16/70/87/565167087.db2.gz LBZQBFCDYIUSTE-NFAWXSAZSA-N 1 0 390.933 2.502 20 0 GFADRO [NH3+]C1(CNS(=O)(=O)Cc2ccc(Cl)cc2Br)CCCC1 ZINC000658390702 565167216 /nfs/dbraw/zinc/16/72/16/565167216.db2.gz RZSHTFCJCRCXFI-UHFFFAOYSA-N 1 0 381.723 2.793 20 0 GFADRO C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1cn3ccc(Br)cc3n1)C2 ZINC000615600238 565167234 /nfs/dbraw/zinc/16/72/34/565167234.db2.gz ASJCRHDHTWHGCE-KRWDZBQOSA-N 1 0 377.286 2.655 20 0 GFADRO C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1cc(Br)cc3[nH]c(=O)[nH]c31)C2 ZINC000615600488 565168073 /nfs/dbraw/zinc/16/80/73/565168073.db2.gz CLVFGVZKFCQGOK-KRWDZBQOSA-N 1 0 393.285 2.589 20 0 GFADRO O=C(N[C@@H]1CCC[N@@H+](CCCO)C1)c1cc2cc(Br)sc2[nH]1 ZINC000615655872 565169070 /nfs/dbraw/zinc/16/90/70/565169070.db2.gz ATPAFUBBMLHRGK-LLVKDONJSA-N 1 0 386.315 2.569 20 0 GFADRO CCN(C(=O)C(=O)Nc1cc(C)c(Br)c(C)c1)[C@@H]1CC[N@H+](CC)C1 ZINC000658468735 565171341 /nfs/dbraw/zinc/17/13/41/565171341.db2.gz WLKJXNIPKXFVLF-OAHLLOKOSA-N 1 0 396.329 2.947 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NCc2ccc(Cl)c(Cl)c2)C[C@@H]1C ZINC000658617840 565178455 /nfs/dbraw/zinc/17/84/55/565178455.db2.gz NNHXJACUYXKRPE-GXTWGEPZSA-N 1 0 386.323 2.941 20 0 GFADRO O=C(CCC1C[NH2+]C1)N1CCC(C(=O)Nc2ccccc2Br)CC1 ZINC000637973912 565178476 /nfs/dbraw/zinc/17/84/76/565178476.db2.gz NZNXNJGVUOXOHS-UHFFFAOYSA-N 1 0 394.313 2.626 20 0 GFADRO NS(=O)(=O)c1ccc(C[N@@H+]2CC[C@H](c3ccco3)C2)cc1Br ZINC000638071063 565182754 /nfs/dbraw/zinc/18/27/54/565182754.db2.gz ZFKYIJQQLCYSCG-LBPRGKRZSA-N 1 0 385.283 2.679 20 0 GFADRO C[C@@H](C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1c(Cl)cccc1Cl ZINC000590315899 565184745 /nfs/dbraw/zinc/18/47/45/565184745.db2.gz JZJKTRQINPNEKW-OLZOCXBDSA-N 1 0 386.323 2.801 20 0 GFADRO Cc1cc(Br)c(C(=O)NC[C@H]([NH3+])C2CC2)cc1Br ZINC000638155888 565185699 /nfs/dbraw/zinc/18/56/99/565185699.db2.gz WLJFPOYPQQTGSN-LBPRGKRZSA-N 1 0 376.092 2.987 20 0 GFADRO COc1nsc(CN2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)c1Br ZINC000638177211 565187709 /nfs/dbraw/zinc/18/77/09/565187709.db2.gz BIPDAUWHSQZOMV-QJPTWQEYSA-N 1 0 390.347 2.598 20 0 GFADRO O=C(c1cccc2c(Br)cccc12)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000638240226 565189089 /nfs/dbraw/zinc/18/90/89/565189089.db2.gz HNBPIIHGPIRHPP-AWEZNQCLSA-N 1 0 388.309 2.722 20 0 GFADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)c1c[nH]c2ccc(Br)cc12 ZINC000590511921 565190716 /nfs/dbraw/zinc/19/07/16/565190716.db2.gz CRSCIUAUCANCCS-ZDUSSCGKSA-N 1 0 380.286 2.771 20 0 GFADRO COC[C@@]1(C(=O)Nc2cc(OC)c(Br)c(OC)c2)CCCC[NH2+]1 ZINC000638297878 565191081 /nfs/dbraw/zinc/19/10/81/565191081.db2.gz CUTORXDSDQAXMB-MRXNPFEDSA-N 1 0 387.274 2.564 20 0 GFADRO COc1ccc(Br)c(CNC(=O)NC[C@@H](C)C[NH+]2CCCC2)c1 ZINC000616116580 565191493 /nfs/dbraw/zinc/19/14/93/565191493.db2.gz XYIZRHFFVAUDDA-CYBMUJFWSA-N 1 0 384.318 2.989 20 0 GFADRO CO[C@H]1C[NH2+][C@](C)(C(=O)N[C@H]2C[C@H](c3ccc(F)c(Br)c3)C2)C1 ZINC000638325583 565192945 /nfs/dbraw/zinc/19/29/45/565192945.db2.gz IEYJMXDNHXUKDU-ZFRZLUBXSA-N 1 0 385.277 2.717 20 0 GFADRO C[N@@H+]1CCC[C@H](CCNC(=O)[C@@H]2CCO[C@H]2c2cncc(Br)c2)C1 ZINC000616233935 565195299 /nfs/dbraw/zinc/19/52/99/565195299.db2.gz JREPRZHKGSOUTI-XYPHTWIQSA-N 1 0 396.329 2.770 20 0 GFADRO CN(C)C[C@H](Cc1ccccc1)[NH2+]Cc1cnn2cc(Br)cnc12 ZINC000638401599 565195770 /nfs/dbraw/zinc/19/57/70/565195770.db2.gz DMCIYKJCXOCBAI-KRWDZBQOSA-N 1 0 388.313 2.754 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+]CCCOc2ccc(Cl)cc2Cl)o1 ZINC000638453516 565196794 /nfs/dbraw/zinc/19/67/94/565196794.db2.gz RMEFGQIJLLLRNN-UHFFFAOYSA-N 1 0 379.265 2.793 20 0 GFADRO O=C(NCCC[NH2+]Cc1ccc(CO)cc1)c1ccc(Br)cc1 ZINC000638490143 565199175 /nfs/dbraw/zinc/19/91/75/565199175.db2.gz TTWLJAXLCSYTBR-UHFFFAOYSA-N 1 0 377.282 2.851 20 0 GFADRO C[NH+](C)C1CCC(NC(=O)c2cc(Br)cc3[nH]c(=O)[nH]c32)CC1 ZINC000616381541 565199259 /nfs/dbraw/zinc/19/92/59/565199259.db2.gz UFQPBANIYWSCOR-UHFFFAOYSA-N 1 0 381.274 2.634 20 0 GFADRO COc1cc(Br)ccc1[C@H]1CCCN1C(=O)c1cnc(C[NH3+])nc1 ZINC000638530482 565200139 /nfs/dbraw/zinc/20/01/39/565200139.db2.gz ULBKHQFNRPIHTO-CQSZACIVSA-N 1 0 391.269 2.684 20 0 GFADRO [NH3+]C1(CNC(=O)c2cc(Br)sc2Br)CCOCC1 ZINC000638537149 565200228 /nfs/dbraw/zinc/20/02/28/565200228.db2.gz BOWUEDMQBIUQPW-UHFFFAOYSA-N 1 0 398.120 2.511 20 0 GFADRO CC[C@@](C)(C[NH2+]CCCNC(=O)c1cc(OC)ccc1Br)OC ZINC000638523411 565200315 /nfs/dbraw/zinc/20/03/15/565200315.db2.gz HEMJTPRGJNVLAF-KRWDZBQOSA-N 1 0 387.318 2.982 20 0 GFADRO [NH3+]C1(CNC(=O)C(=O)Nc2cccnc2-c2ccc(Cl)s2)CCCC1 ZINC000659097961 565201573 /nfs/dbraw/zinc/20/15/73/565201573.db2.gz UFDJGCVOFQTGCP-UHFFFAOYSA-N 1 0 378.885 2.790 20 0 GFADRO C[C@@H](C(=O)N1CC[C@H](Cc2cccc(I)c2)C1)[NH+](C)C ZINC000590774406 565203332 /nfs/dbraw/zinc/20/33/32/565203332.db2.gz IYXUSLJDHUIKJN-GXTWGEPZSA-N 1 0 386.277 2.632 20 0 GFADRO CCO[C@@H]1C[C@@]([NH3+])(C(=O)NCc2ccc(Br)c(F)c2F)C1(C)C ZINC000638598612 565203828 /nfs/dbraw/zinc/20/38/28/565203828.db2.gz AHNWNDSDOGMQKI-BDJLRTHQSA-N 1 0 391.256 2.876 20 0 GFADRO CN(CC[NH+]1CCCCC1)C(=O)c1cc(Br)cc2[nH]c(=O)[nH]c21 ZINC000616567701 565204991 /nfs/dbraw/zinc/20/49/91/565204991.db2.gz VZOIDBLFYASUPH-UHFFFAOYSA-N 1 0 381.274 2.589 20 0 GFADRO NC(=O)C[N@H+](CCC(=O)Nc1ccc(Br)cc1F)C1CCCC1 ZINC000590840417 565206499 /nfs/dbraw/zinc/20/64/99/565206499.db2.gz GUTVXRZNWNHFMV-UHFFFAOYSA-N 1 0 386.265 2.647 20 0 GFADRO CN(CCOCC[NH3+])C(=O)CCc1nc2cc(C(F)(F)F)ccc2s1 ZINC000638677668 565206996 /nfs/dbraw/zinc/20/69/96/565206996.db2.gz NKFKCFQUOPAEKS-UHFFFAOYSA-N 1 0 375.416 2.681 20 0 GFADRO [NH3+]CCCOCCNC(=O)Cc1csc(-c2cccc(Br)c2)n1 ZINC000638661719 565207410 /nfs/dbraw/zinc/20/74/10/565207410.db2.gz XSOMHELGGMUVND-UHFFFAOYSA-N 1 0 398.326 2.597 20 0 GFADRO CN1CCC[C@H]([NH2+][C@H]2CCN(C)[C@@H](c3ccc(Br)cc3)C2)C1=O ZINC000638724689 565208071 /nfs/dbraw/zinc/20/80/71/565208071.db2.gz SUZPDHYWFZBXFL-YESZJQIVSA-N 1 0 380.330 2.795 20 0 GFADRO C[C@H]1C[C@@H](c2ccc(Br)cc2)CN1C(=O)c1cnc(C[NH3+])nc1 ZINC000638697700 565208162 /nfs/dbraw/zinc/20/81/62/565208162.db2.gz DVJNZFIGDLICCW-WCQYABFASA-N 1 0 375.270 2.716 20 0 GFADRO O=C(c1cc([C@H]2CC[NH2+]C2)n[nH]1)N1CCc2cc(F)cc(Br)c2C1 ZINC000638774216 565210185 /nfs/dbraw/zinc/21/01/85/565210185.db2.gz YBJBPDMRUVVIAQ-NSHDSACASA-N 1 0 393.260 2.587 20 0 GFADRO O=C(c1c(F)cccc1Br)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000638778932 565210222 /nfs/dbraw/zinc/21/02/22/565210222.db2.gz PDELFUHKFFKJOF-ZDUSSCGKSA-N 1 0 385.277 2.819 20 0 GFADRO COC[C@@]1(CNC(=O)c2cc(-c3cccc(Br)c3)no2)CCC[NH2+]1 ZINC000659305943 565211399 /nfs/dbraw/zinc/21/13/99/565211399.db2.gz BSBDLABDFYZPIT-KRWDZBQOSA-N 1 0 394.269 2.603 20 0 GFADRO COc1ccc(Br)cc1CC(=O)N1CCOc2ccc(C[NH3+])cc21 ZINC000638804917 565211866 /nfs/dbraw/zinc/21/18/66/565211866.db2.gz PSTAXOGSFNDSAK-UHFFFAOYSA-N 1 0 391.265 2.885 20 0 GFADRO C[C@@H]1CN(C(=O)Cc2ccc(Br)c(Br)c2)C[C@@H](C)[NH2+]1 ZINC000659297629 565211900 /nfs/dbraw/zinc/21/19/00/565211900.db2.gz WLQTVKXIJYUMDX-NXEZZACHSA-N 1 0 390.119 2.963 20 0 GFADRO COc1ccccc1[C@H]([NH3+])CNC(=O)c1sc2c(c1Br)CNC2 ZINC000659298748 565212024 /nfs/dbraw/zinc/21/20/24/565212024.db2.gz ALORCXNJHBXSNI-LLVKDONJSA-N 1 0 396.310 2.552 20 0 GFADRO C[C@H](CCc1ccc(I)cc1)[NH2+]C[C@@H]1CCCNC1=O ZINC000590971812 565212152 /nfs/dbraw/zinc/21/21/52/565212152.db2.gz NVPQKHLRXWWUSP-OCCSQVGLSA-N 1 0 386.277 2.728 20 0 GFADRO CC(C)(C[NH2+]Cc1ccc(S(N)(=O)=O)o1)c1ccccc1Br ZINC000638789374 565212163 /nfs/dbraw/zinc/21/21/63/565212163.db2.gz ZMFUOIVJXRWOPB-UHFFFAOYSA-N 1 0 387.299 2.757 20 0 GFADRO C[C@H](C[NH2+][C@@H]1CCN(C)[C@H](c2ccc(Br)cc2)C1)S(C)(=O)=O ZINC000638806410 565212174 /nfs/dbraw/zinc/21/21/74/565212174.db2.gz PWGHZMMNLHWSRV-WQVCFCJDSA-N 1 0 389.359 2.607 20 0 GFADRO COc1ccc([C@@H](CCO)[NH2+]Cc2cnn3cc(Br)cnc23)cc1 ZINC000638824001 565212574 /nfs/dbraw/zinc/21/25/74/565212574.db2.gz QZQHNSQPSOKGBX-MRXNPFEDSA-N 1 0 391.269 2.714 20 0 GFADRO O=C(N[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000638809921 565212679 /nfs/dbraw/zinc/21/26/79/565212679.db2.gz DVRFMQZSABQICL-VNHYZAJKSA-N 1 0 380.769 2.967 20 0 GFADRO COC(=O)C[C@@H](NC(=O)C1CC[NH+]([C@H]2CCSC2)CC1)c1cccs1 ZINC000591013948 565212716 /nfs/dbraw/zinc/21/27/16/565212716.db2.gz USFPJKGJGKVBSK-LSDHHAIUSA-N 1 0 382.551 2.686 20 0 GFADRO C[C@@H]1C[C@H](C)N(C(=O)c2cc(Br)cc3c2OCCO3)C[C@H]1C[NH3+] ZINC000659326018 565212935 /nfs/dbraw/zinc/21/29/35/565212935.db2.gz PQENSSFPCLBJKO-GRYCIOLGSA-N 1 0 383.286 2.666 20 0 GFADRO Cc1cc(Br)c2c(c1)CCN(C(=O)c1csc(CC[NH3+])n1)C2 ZINC000638825863 565213179 /nfs/dbraw/zinc/21/31/79/565213179.db2.gz WRZCFMQPCWNAOS-UHFFFAOYSA-N 1 0 380.311 2.914 20 0 GFADRO COc1ccc(CCC(=O)N[C@H](CC[NH3+])C(F)(F)F)c(Br)c1 ZINC000659325478 565213334 /nfs/dbraw/zinc/21/33/34/565213334.db2.gz MXWHCFZSVVNFHD-GFCCVEGCSA-N 1 0 383.208 2.786 20 0 GFADRO COC(=O)[C@@H]1CSCC[N@H+](C[C@@H](O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000591059618 565213897 /nfs/dbraw/zinc/21/38/97/565213897.db2.gz IHLOZGOUBAUMPG-NWDGAFQWSA-N 1 0 394.320 2.571 20 0 GFADRO C[N@@H+]1CC[C@H](CNc2ccc3nnc(-c4cc(Cl)cc(Cl)c4)n3n2)C1 ZINC000591079258 565214973 /nfs/dbraw/zinc/21/49/73/565214973.db2.gz AUWCZIOGRIZUDC-LLVKDONJSA-N 1 0 377.279 3.462 20 0 GFADRO Cn1ncc(Br)c1CNC(=O)c1ccccc1CC1CC[NH2+]CC1 ZINC000638874857 565215087 /nfs/dbraw/zinc/21/50/87/565215087.db2.gz CVSWFAZNNCXSKZ-UHFFFAOYSA-N 1 0 391.313 2.655 20 0 GFADRO CC[NH2+][C@H](C)C(=O)NC1CCN(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000638853877 565215817 /nfs/dbraw/zinc/21/58/17/565215817.db2.gz QJGAQJNZZDQQTA-GFCCVEGCSA-N 1 0 397.317 2.560 20 0 GFADRO [NH3+][C@@H]1CN(C(=O)CCc2ncc(-c3ccccc3Br)o2)CC[C@H]1F ZINC000659390540 565215800 /nfs/dbraw/zinc/21/58/00/565215800.db2.gz ZWMOVTVJIHGTRA-ZIAGYGMSSA-N 1 0 396.260 2.934 20 0 GFADRO COc1cc(C(F)(F)F)ncc1NC(=O)N1C[C@H](SC)[C@@H]([NH+](C)C)C1 ZINC000616900286 565216149 /nfs/dbraw/zinc/21/61/49/565216149.db2.gz USKAPGXYXDWPLK-JQWIXIFHSA-N 1 0 378.420 2.618 20 0 GFADRO CC(=O)N[C@@H](CC(=O)N[C@H]1CC[C@H](C[NH3+])CC1)c1ccc(Br)cc1 ZINC000638945942 565218828 /nfs/dbraw/zinc/21/88/28/565218828.db2.gz KRQKKXWMUUNDGZ-JQFCIGGWSA-N 1 0 396.329 2.650 20 0 GFADRO [NH3+]C[C@H]1CC[C@H](NC(=O)c2cnn(-c3cccc(Br)c3)c2)CC1 ZINC000638947560 565218894 /nfs/dbraw/zinc/21/88/94/565218894.db2.gz DHGLNGIWXNKZBG-NNUKFRKNSA-N 1 0 377.286 2.882 20 0 GFADRO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)N1CCOc2cc(Br)ccc2C1 ZINC000659525153 565219463 /nfs/dbraw/zinc/21/94/63/565219463.db2.gz WGNNTNDGXKWMIH-SWLSCSKDSA-N 1 0 382.302 2.871 20 0 GFADRO CC1(C)CN(C(=O)NC[C@@H]2C[NH2+]CCCO2)c2cc(Br)ccc21 ZINC000659547715 565219899 /nfs/dbraw/zinc/21/98/99/565219899.db2.gz AJELIIXVUMODHL-ZDUSSCGKSA-N 1 0 382.302 2.635 20 0 GFADRO C[C@@H](CCCC[NH3+])NC(=O)N1CCN(c2ccc(Br)cc2)CC1 ZINC000659548691 565220031 /nfs/dbraw/zinc/22/00/31/565220031.db2.gz PGDSXOXQQQHOQJ-AWEZNQCLSA-N 1 0 383.334 2.798 20 0 GFADRO COc1ccc(Br)c(C(=O)Nc2cc(N3CC[NH2+]CC3)ccn2)c1 ZINC000638987489 565220131 /nfs/dbraw/zinc/22/01/31/565220131.db2.gz RNGNBDLFGMKQFL-UHFFFAOYSA-N 1 0 391.269 2.515 20 0 GFADRO O=C(NCCC1=CC[NH2+]CC1)N1CCOc2cc(Br)ccc2C1 ZINC000659537689 565220264 /nfs/dbraw/zinc/22/02/64/565220264.db2.gz GTLAEBBVJOAVKG-UHFFFAOYSA-N 1 0 380.286 2.663 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)N2CCOC[C@@H]2c2ccc(Br)cc2)CC[NH2+]1 ZINC000659544703 565220301 /nfs/dbraw/zinc/22/03/01/565220301.db2.gz XIQWJGFPMUHAQU-UHOFOFEASA-N 1 0 382.302 2.673 20 0 GFADRO CC(C)(O)C[NH+]1CCC(N[C@H](CCO)c2ccccc2Br)CC1 ZINC000638977454 565220416 /nfs/dbraw/zinc/22/04/16/565220416.db2.gz SINYSTUNWDFELV-QGZVFWFLSA-N 1 0 385.346 2.698 20 0 GFADRO CC1([NH3+])CCN(C(=O)Nc2cc(F)c(I)c(F)c2)CC1 ZINC000591284689 565220821 /nfs/dbraw/zinc/22/08/21/565220821.db2.gz KMNZBNGSQJNCPP-UHFFFAOYSA-N 1 0 395.191 2.915 20 0 GFADRO [NH3+][C@@H]1CN(C(=O)NCC2(Cc3ccc(Br)cc3)CC2)CC[C@H]1F ZINC000659598536 565221418 /nfs/dbraw/zinc/22/14/18/565221418.db2.gz DAQVNZYWRICCLZ-HUUCEWRRSA-N 1 0 384.293 2.853 20 0 GFADRO Cc1c(Br)cncc1C(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000617109655 565221775 /nfs/dbraw/zinc/22/17/75/565221775.db2.gz STIQMJVKOWOYTN-UHFFFAOYSA-N 1 0 396.329 2.773 20 0 GFADRO COC(=O)c1cc(NC(=O)N[C@H](C)CCC[NH3+])c(Br)cc1F ZINC000591287331 565221837 /nfs/dbraw/zinc/22/18/37/565221837.db2.gz OHEYBKRVXFVSDS-MRVPVSSYSA-N 1 0 376.226 2.624 20 0 GFADRO COC(=O)c1cc(NC(=O)N[C@@H](C[NH3+])C(C)(C)C)c(Br)cc1F ZINC000591287454 565221978 /nfs/dbraw/zinc/22/19/78/565221978.db2.gz YKKKCINZXAQBBF-LBPRGKRZSA-N 1 0 390.253 2.870 20 0 GFADRO C[NH2+]C[C@@H](C)NC(=O)C(=O)NCC1(c2ccc(Cl)cc2Cl)CCCC1 ZINC000659688370 565222574 /nfs/dbraw/zinc/22/25/74/565222574.db2.gz YJAZPAIMILDXDT-GFCCVEGCSA-N 1 0 386.323 2.646 20 0 GFADRO O=C(Nc1cccc(F)c1I)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000591293981 565222750 /nfs/dbraw/zinc/22/27/50/565222750.db2.gz ICCSYOVFEDREAR-BXKDBHETSA-N 1 0 389.212 2.646 20 0 GFADRO COC(=O)c1cc(NC(=O)NC[C@@H]2CCCC[NH2+]2)cc(Br)c1F ZINC000591302039 565222908 /nfs/dbraw/zinc/22/29/08/565222908.db2.gz DLBUAHZSVGYHOF-VIFPVBQESA-N 1 0 388.237 2.638 20 0 GFADRO COCCO[C@@H]1COCC[C@H]1[NH2+]Cc1nc2cc(Br)ccc2o1 ZINC000639061721 565223000 /nfs/dbraw/zinc/22/30/00/565223000.db2.gz QAYOMUWWAQEQNZ-IUODEOHRSA-N 1 0 385.258 2.500 20 0 GFADRO O=C(NC[C@@H]1CCCC[NH2+]1)Nc1cccc(F)c1I ZINC000591294537 565222980 /nfs/dbraw/zinc/22/29/80/565222980.db2.gz NIIRTWYDJZJOKT-VIFPVBQESA-N 1 0 377.201 2.694 20 0 GFADRO C[C@@H](NC(=O)Cc1ccc(I)cc1)C1CC[NH+](C)CC1 ZINC000617163720 565224510 /nfs/dbraw/zinc/22/45/10/565224510.db2.gz MCJRFYSIXPGUNG-GFCCVEGCSA-N 1 0 386.277 2.680 20 0 GFADRO C[C@H]1C[C@H](C)C[NH+](CCN2CCN(c3ccc(Br)cn3)CC2)C1 ZINC000659827434 565225070 /nfs/dbraw/zinc/22/50/70/565225070.db2.gz VQGQHGOIZCGOFR-HOTGVXAUSA-N 1 0 381.362 2.944 20 0 GFADRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(Cc2ncsc2Br)CC1 ZINC000659866484 565226781 /nfs/dbraw/zinc/22/67/81/565226781.db2.gz SNWQDLHPBHVKOQ-OKILXGFUSA-N 1 0 387.391 2.896 20 0 GFADRO COC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(F)cc1I ZINC000591357136 565227035 /nfs/dbraw/zinc/22/70/35/565227035.db2.gz PQHMWMDSZBNDPV-YPMHNXCESA-N 1 0 377.197 2.862 20 0 GFADRO COc1nsc(CNCCC[N@@H+]2CCCO[C@H](C)C2)c1Br ZINC000639121223 565227836 /nfs/dbraw/zinc/22/78/36/565227836.db2.gz NWJCVKAZIVUFDE-LLVKDONJSA-N 1 0 378.336 2.505 20 0 GFADRO CN1CC[C@H]([NH2+]CCN2CCCOCC2)C[C@@H]1c1ccc(Br)cc1 ZINC000639175190 565230820 /nfs/dbraw/zinc/23/08/20/565230820.db2.gz ILSFCWOQFKFIMR-RBUKOAKNSA-N 1 0 396.373 2.896 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCCNC(=O)C1)c1ccc(Br)cc1OCCCO ZINC000639198938 565232426 /nfs/dbraw/zinc/23/24/26/565232426.db2.gz UNUDNYRMOATOOU-GXTWGEPZSA-N 1 0 385.302 2.530 20 0 GFADRO CSc1ccc([C@H](C[NH2+]Cc2ccc(S(N)(=O)=O)s2)N(C)C)cc1 ZINC000639213709 565233331 /nfs/dbraw/zinc/23/33/31/565233331.db2.gz OXJOCEGZNVVICN-HNNXBMFYSA-N 1 0 385.580 2.510 20 0 GFADRO COc1ccc(Br)cc1C[C@@H](CO)C[NH2+]Cc1ccc(CO)cc1 ZINC000639238719 565234427 /nfs/dbraw/zinc/23/44/27/565234427.db2.gz VYLWRTJIHWQBPA-MRXNPFEDSA-N 1 0 394.309 2.891 20 0 GFADRO COc1ccc(Br)cc1C[C@H](CO)C[NH2+]C1CC(n2cccn2)C1 ZINC000639237712 565234678 /nfs/dbraw/zinc/23/46/78/565234678.db2.gz MANLWGMEWVOCIT-IGEOTXOUSA-N 1 0 394.313 2.799 20 0 GFADRO CO[C@H](C[NH2+]C[C@@H](CO)Cc1cccc(Br)c1C)[C@H]1CCOC1 ZINC000639237962 565235305 /nfs/dbraw/zinc/23/53/05/565235305.db2.gz PLPUHGLIKCUSOO-QILLFSRXSA-N 1 0 386.330 2.550 20 0 GFADRO Cc1cc(NC(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)ccc1Br ZINC000591657427 565235442 /nfs/dbraw/zinc/23/54/42/565235442.db2.gz KLSGEZUOCVYTPZ-CVEARBPZSA-N 1 0 382.302 2.820 20 0 GFADRO CCO[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)cc(S(=O)(=O)CC)c2)[C@]12CCCO2 ZINC000639262183 565236423 /nfs/dbraw/zinc/23/64/23/565236423.db2.gz QMDVAWKOSLIAKB-RCCFBDPRSA-N 1 0 387.929 2.950 20 0 GFADRO CO[C@@H](C[NH2+]CC(=O)Nc1ccc(Br)c(C)c1)C1CCOCC1 ZINC000639274876 565237491 /nfs/dbraw/zinc/23/74/91/565237491.db2.gz LJNWVRWNXMPLBY-INIZCTEOSA-N 1 0 385.302 2.727 20 0 GFADRO CN1CC[C@H]([NH2+]CC[C@]2(O)CCOC2)C[C@H]1c1ccc(Br)cc1 ZINC000639296960 565237774 /nfs/dbraw/zinc/23/77/74/565237774.db2.gz SNTKNQUDLSEPHH-BZSNNMDCSA-N 1 0 383.330 2.716 20 0 GFADRO C[NH+](C)C[C@@H]1CCCCN1S(=O)(=O)Cc1cccc(Br)c1 ZINC000660009295 565237829 /nfs/dbraw/zinc/23/78/29/565237829.db2.gz PPTHWDRLQOZMBX-HNNXBMFYSA-N 1 0 375.332 2.695 20 0 GFADRO CSC[C@@H](O)C[NH2+][C@@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O ZINC000591758680 565238529 /nfs/dbraw/zinc/23/85/29/565238529.db2.gz IGSJNUJHEFALCB-LSDHHAIUSA-N 1 0 376.444 2.510 20 0 GFADRO CO[C@@H](C[NH+]1CCN(Cc2ccc(Br)cc2)CC1)[C@H]1CCOC1 ZINC000660011912 565238817 /nfs/dbraw/zinc/23/88/17/565238817.db2.gz ZYAINGMFPGAPKD-WMZOPIPTSA-N 1 0 383.330 2.618 20 0 GFADRO OC1(C[NH2+]Cc2cnn3cc(Br)cnc23)CCC(F)(F)CC1 ZINC000639335743 565240298 /nfs/dbraw/zinc/24/02/98/565240298.db2.gz RQECSWUQQHGEPQ-UHFFFAOYSA-N 1 0 375.217 2.522 20 0 GFADRO CCC[N@@H+]1CC[C@H](NS(=O)(=O)c2cc(Br)sc2Cl)C1 ZINC000660027775 565240753 /nfs/dbraw/zinc/24/07/53/565240753.db2.gz OWLWHOBBQQOTAV-QMMMGPOBSA-N 1 0 387.752 2.927 20 0 GFADRO CCC[N@@H+]1CC[C@H](NS(=O)(=O)c2cc(Br)c(C)cc2OC)C1 ZINC000660026448 565240987 /nfs/dbraw/zinc/24/09/87/565240987.db2.gz GURYCMKVVFGJLC-LBPRGKRZSA-N 1 0 391.331 2.529 20 0 GFADRO Brc1cnc2c(C[NH2+]C[C@@H]3CCN3Cc3ccccc3)cnn2c1 ZINC000639332272 565241130 /nfs/dbraw/zinc/24/11/30/565241130.db2.gz HLWXKSQXXFJQKA-KRWDZBQOSA-N 1 0 386.297 2.856 20 0 GFADRO Cc1cc(Br)ccc1C(=O)N1CCC([NH2+]Cc2ncc[nH]2)CC1 ZINC000639370670 565242075 /nfs/dbraw/zinc/24/20/75/565242075.db2.gz FRJUBHIRJOWDDB-UHFFFAOYSA-N 1 0 377.286 2.875 20 0 GFADRO CCN(C(=O)c1cc(=O)[nH]c2c(Br)cccc12)[C@@H]1CC[N@H+](C)C1 ZINC000617553683 565245204 /nfs/dbraw/zinc/24/52/04/565245204.db2.gz NYCYIEFWCZYYJQ-LLVKDONJSA-N 1 0 378.270 2.869 20 0 GFADRO CCN(C(=O)c1cn(-c2ccc(Br)cc2)cn1)[C@@H]1CC[N@H+](C)C1 ZINC000617553267 565245503 /nfs/dbraw/zinc/24/55/03/565245503.db2.gz FDZHCYULXGUCHB-OAHLLOKOSA-N 1 0 377.286 2.801 20 0 GFADRO CCN(C(=O)CNC(=O)c1sc2ccccc2c1Cl)[C@H]1CC[N@H+](C)C1 ZINC000617560774 565246812 /nfs/dbraw/zinc/24/68/12/565246812.db2.gz XJOKFVWBEYDWKL-LBPRGKRZSA-N 1 0 379.913 2.837 20 0 GFADRO O[C@@H](C[N@H+](Cc1csc(Br)c1)C1CC1)CC1(O)CCOCC1 ZINC000639545931 565248980 /nfs/dbraw/zinc/24/89/80/565248980.db2.gz FVULBJKQISPHKV-CQSZACIVSA-N 1 0 390.343 2.768 20 0 GFADRO O=C(NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1ccc(Br)cc1 ZINC000617696307 565251668 /nfs/dbraw/zinc/25/16/68/565251668.db2.gz GGGNYICTLVWWOB-SFHVURJKSA-N 1 0 389.293 2.946 20 0 GFADRO C[C@@H](C[N@H+](C)C[C@H](O)CC1(O)CCOCC1)Oc1ccc(Cl)c(Cl)c1 ZINC000639605022 565252417 /nfs/dbraw/zinc/25/24/17/565252417.db2.gz AGKVQQFHQWIGQJ-UONOGXRCSA-N 1 0 392.323 2.985 20 0 GFADRO CCC[N@H+](C)CC(C)(C)NS(=O)(=O)c1cc(F)ccc1Br ZINC000660107042 565253953 /nfs/dbraw/zinc/25/39/53/565253953.db2.gz KTVBUUIOLBRKGM-UHFFFAOYSA-N 1 0 381.311 2.987 20 0 GFADRO CCC[N@H+](C)CC(C)(C)NS(=O)(=O)Cc1ccccc1Br ZINC000660107836 565254053 /nfs/dbraw/zinc/25/40/53/565254053.db2.gz MFXHQYLJPPRGFX-UHFFFAOYSA-N 1 0 377.348 2.989 20 0 GFADRO COCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C)Oc2cc(Cl)cc(Cl)c2)C1 ZINC000592090087 565254315 /nfs/dbraw/zinc/25/43/15/565254315.db2.gz AWCNSLRZYRQEJX-IUODEOHRSA-N 1 0 375.296 2.988 20 0 GFADRO CN(CCC[NH+](C)C)CCNC(=O)c1c[nH]c2ccc(Br)cc12 ZINC000617768232 565258723 /nfs/dbraw/zinc/25/87/23/565258723.db2.gz VDTHCRDUCHAANE-UHFFFAOYSA-N 1 0 381.318 2.544 20 0 GFADRO O[C@@H](COc1cc(F)cc(Br)c1)C[N@@H+]1CCC[C@@H]1c1cn[nH]c1 ZINC000639779229 565261316 /nfs/dbraw/zinc/26/13/16/565261316.db2.gz ZGMULSBHLVQFBJ-GDBMZVCRSA-N 1 0 384.249 2.888 20 0 GFADRO CC[N@H+](CC(=O)N1CCc2sccc2C1)[C@H]1CCN(CC(F)(F)F)C1 ZINC000639820099 565262897 /nfs/dbraw/zinc/26/28/97/565262897.db2.gz NHQTXEJDADWSAS-AWEZNQCLSA-N 1 0 375.460 2.591 20 0 GFADRO Brc1cc(C[N@@H+]2CCC[C@H](n3ccnn3)CC2)cc2c1OCO2 ZINC000639815171 565263279 /nfs/dbraw/zinc/26/32/79/565263279.db2.gz BPHOWMVIVNCQHE-ZDUSSCGKSA-N 1 0 379.258 2.997 20 0 GFADRO [NH3+]C1(CNC(=O)c2cc(I)cc(C(F)(F)F)c2)CCC1 ZINC000592234842 565263759 /nfs/dbraw/zinc/26/37/59/565263759.db2.gz HOULACGNUDFQJH-UHFFFAOYSA-N 1 0 398.166 2.921 20 0 GFADRO O=S(=O)(NC[C@H]1CCC[N@H+](CC2CC2)C1)c1cccnc1C(F)(F)F ZINC000660179697 565264208 /nfs/dbraw/zinc/26/42/08/565264208.db2.gz MXTVTRHMYWATER-CYBMUJFWSA-N 1 0 377.432 2.501 20 0 GFADRO CC(C)[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2Br)CC[NH2+]1 ZINC000660185156 565265351 /nfs/dbraw/zinc/26/53/51/565265351.db2.gz QBROLWZAVUGUAA-LBPRGKRZSA-N 1 0 381.723 2.721 20 0 GFADRO CCN(C(=O)c1c(C)nc2ccc(Br)cn21)[C@H]1CC[N@H+](CC)C1 ZINC000617925580 565267868 /nfs/dbraw/zinc/26/78/68/565267868.db2.gz OSNOMHXXYQXDDN-AWEZNQCLSA-N 1 0 379.302 2.962 20 0 GFADRO Cc1c(C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)cnn1-c1cccc(Br)c1 ZINC000592310622 565268262 /nfs/dbraw/zinc/26/82/62/565268262.db2.gz BGLYINLYZNVHLY-AWEZNQCLSA-N 1 0 389.297 2.910 20 0 GFADRO C[C@]12C[NH+](Cc3nc(-c4ccccc4Cl)cs3)C[C@]1(C)C(=O)NC2=O ZINC000639943769 565268397 /nfs/dbraw/zinc/26/83/97/565268397.db2.gz FDOOUQYRCDJSEW-QZTJIDSGSA-N 1 0 375.881 2.948 20 0 GFADRO C[N@@H+](Cc1ccc(Br)cc1F)C[C@H](O)COC[C@@H]1CCCO1 ZINC000639922500 565268577 /nfs/dbraw/zinc/26/85/77/565268577.db2.gz YDEICTJILRHSQX-GJZGRUSLSA-N 1 0 376.266 2.577 20 0 GFADRO O=C(NCC1CC[NH+](Cc2ccncc2)CC1)c1ncccc1Br ZINC000617975102 565270135 /nfs/dbraw/zinc/27/01/35/565270135.db2.gz HREQYRMWMGSFIH-UHFFFAOYSA-N 1 0 389.297 2.881 20 0 GFADRO CN1CC(=O)N(CC[NH2+][C@H](c2cc(F)cc(Br)c2)C2CC2)C1=O ZINC000660320462 565270865 /nfs/dbraw/zinc/27/08/65/565270865.db2.gz UBNVNIAJHVJMDF-HNNXBMFYSA-N 1 0 384.249 2.523 20 0 GFADRO COc1cc(NC(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)ncc1Br ZINC000639963759 565270930 /nfs/dbraw/zinc/27/09/30/565270930.db2.gz LWTWJYZRMUJZJK-GFCCVEGCSA-N 1 0 383.290 2.945 20 0 GFADRO COc1ncc(Br)cc1C[NH2+][C@@H]1CCCC[C@@H]1N1CCOCC1 ZINC000660386837 565273415 /nfs/dbraw/zinc/27/34/15/565273415.db2.gz DOQOIMHUJAKOTL-CVEARBPZSA-N 1 0 384.318 2.586 20 0 GFADRO CCC1([NH+](C)C)CCN(Cc2cc(=O)n3cc(Br)ccc3n2)CC1 ZINC000640017800 565274429 /nfs/dbraw/zinc/27/44/29/565274429.db2.gz QSRONWQEBQPUAT-UHFFFAOYSA-N 1 0 393.329 2.763 20 0 GFADRO FC(F)[C@H]1C[NH2+]CCN1CCCOc1cccc(I)c1 ZINC000592435243 565276208 /nfs/dbraw/zinc/27/62/08/565276208.db2.gz QVASIHSYONJSJA-CYBMUJFWSA-N 1 0 396.219 2.599 20 0 GFADRO O[C@H](COc1ccc(Cl)cc1Br)C[N@@H+]1C[C@@H]2C[C@H]1C[C@H](O)C2 ZINC000640075618 565277648 /nfs/dbraw/zinc/27/76/48/565277648.db2.gz BPHBFWRWSNFBDQ-CABNGKKXSA-N 1 0 390.705 2.687 20 0 GFADRO Cc1cccc(CNC(=O)c2cnn3c2[C@@H](C[NH3+])CCC3)c1Br ZINC000592563504 565282227 /nfs/dbraw/zinc/28/22/27/565282227.db2.gz YVNHBSPJWGZWJF-GFCCVEGCSA-N 1 0 377.286 2.720 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)CCn1cc(Br)cn1)c1ccc(F)cc1 ZINC000618235765 565283040 /nfs/dbraw/zinc/28/30/40/565283040.db2.gz OHGIUHCXQUXPMQ-HNNXBMFYSA-N 1 0 383.265 2.594 20 0 GFADRO COC[C@@H](C[NH2+]C1(Cc2ccc(F)cc2Br)CCOCC1)OC ZINC000660632438 565287155 /nfs/dbraw/zinc/28/71/55/565287155.db2.gz NRJPMYHHAJKEHA-OAHLLOKOSA-N 1 0 390.293 2.931 20 0 GFADRO O=C(C[NH2+][C@@H]1CCCn2nccc21)Nc1c(F)cc(F)cc1Br ZINC000640220425 565288674 /nfs/dbraw/zinc/28/86/74/565288674.db2.gz ZCFRYQHKPVAHAZ-GFCCVEGCSA-N 1 0 385.212 2.987 20 0 GFADRO CN(C(=O)C[N@H+](C)[C@@H]1CCSC1)[C@@H](CO)c1cccc(Cl)c1Cl ZINC000618341312 565291060 /nfs/dbraw/zinc/29/10/60/565291060.db2.gz DMYLDRUPHYVTAY-RISCZKNCSA-N 1 0 377.337 2.923 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2nn(CC(F)(F)F)cc2Cl)[C@@H](C)C1 ZINC000640295275 565294863 /nfs/dbraw/zinc/29/48/63/565294863.db2.gz TUFBHERAUBEDMR-CMPLNLGQSA-N 1 0 381.830 3.293 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2nn(CC(F)(F)F)cc2Cl)C[C@@H]1C ZINC000640294447 565295039 /nfs/dbraw/zinc/29/50/39/565295039.db2.gz CNZBSTSJEUHXBF-WDEREUQCSA-N 1 0 381.830 3.435 20 0 GFADRO Cc1nccn1CCCN(C)C(=O)Nc1nn(CC(F)(F)F)cc1Cl ZINC000640295667 565295284 /nfs/dbraw/zinc/29/52/84/565295284.db2.gz ZWPUSIYPBBPDGH-UHFFFAOYSA-N 1 0 378.786 3.158 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)N1CCN(c2ccc(Br)cc2)CC1 ZINC000660844679 565295926 /nfs/dbraw/zinc/29/59/26/565295926.db2.gz SINGDWFGSPRXCH-OAHLLOKOSA-N 1 0 393.329 2.517 20 0 GFADRO COC(=O)C[C@@](C)(NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)c1ccc(Br)cc1 ZINC000592792906 565296207 /nfs/dbraw/zinc/29/62/07/565296207.db2.gz GXEGDQHKYBCMHZ-CDHAZOANSA-N 1 0 397.313 2.684 20 0 GFADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1CCc2ccc(Cl)c(Cl)c2C1 ZINC000660855330 565296967 /nfs/dbraw/zinc/29/69/67/565296967.db2.gz OEEZYIOIGZOZSU-CYBMUJFWSA-N 1 0 385.339 2.697 20 0 GFADRO CC[N@@H+]1C[C@@H](C)N(C(=O)Nc2nnc(C(F)(F)C(F)(F)F)s2)C[C@H]1C ZINC000640384457 565305183 /nfs/dbraw/zinc/30/51/83/565305183.db2.gz DDSLPURWUSJDNL-HTQZYQBOSA-N 1 0 387.378 3.139 20 0 GFADRO C[NH+](C)[C@H]1CCCN(C(=O)Nc2nnc(C(F)(F)C(F)(F)F)s2)CC1 ZINC000640385954 565306010 /nfs/dbraw/zinc/30/60/10/565306010.db2.gz FFVSTZICJPROFN-QMMMGPOBSA-N 1 0 387.378 3.140 20 0 GFADRO COC(=O)[C@@H]1C[N@H+](Cc2nc3ccc(Br)cc3n2C)C[C@H]1C1CC1 ZINC000593129476 565314865 /nfs/dbraw/zinc/31/48/65/565314865.db2.gz IDWAWFRNYOYRIR-UONOGXRCSA-N 1 0 392.297 2.967 20 0 GFADRO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)c1cc(Br)cc2[nH]c(=O)[nH]c21 ZINC000618982389 565324389 /nfs/dbraw/zinc/32/43/89/565324389.db2.gz BHRCUWQTELOZSE-LLVKDONJSA-N 1 0 395.301 2.881 20 0 GFADRO C[C@H]1CCC[N@H+](CC(=O)N(C)Cc2cc(Br)cs2)[C@H]1CCO ZINC000661489197 565326053 /nfs/dbraw/zinc/32/60/53/565326053.db2.gz ABZZDXCREILJKJ-WFASDCNBSA-N 1 0 389.359 2.952 20 0 GFADRO C[NH+](C)[C@@H]1CCCN(c2ncnc3cc(I)sc32)C1 ZINC000593461026 565332556 /nfs/dbraw/zinc/33/25/56/565332556.db2.gz GKIFTNRYAWQPNX-SECBINFHSA-N 1 0 388.278 2.826 20 0 GFADRO COc1cc(Br)c(Cn2cc(C3CC[NH2+]CC3)nn2)cc1OC ZINC000640859870 565332984 /nfs/dbraw/zinc/33/29/84/565332984.db2.gz LAAIQLPZEXFLFM-UHFFFAOYSA-N 1 0 381.274 2.573 20 0 GFADRO CC(C)c1noc(Cn2cc([C@H]([NH3+])c3ccc(Br)cc3)nn2)n1 ZINC000640929515 565337659 /nfs/dbraw/zinc/33/76/59/565337659.db2.gz OBMOPOZBZANVQJ-CQSZACIVSA-N 1 0 377.246 2.643 20 0 GFADRO C[C@@H](O)[C@H]1CCC[N@@H+]1C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000661772346 565338136 /nfs/dbraw/zinc/33/81/36/565338136.db2.gz YAGJRPFLMJVOHV-MPKXVKKWSA-N 1 0 378.694 2.687 20 0 GFADRO C[C@@H](CCc1ccc(I)cc1)[NH2+]CCCn1cncn1 ZINC000619426317 565339850 /nfs/dbraw/zinc/33/98/50/565339850.db2.gz SEGBVYDTAPBPRE-ZDUSSCGKSA-N 1 0 384.265 2.884 20 0 GFADRO CC[C@@](C)([NH3+])c1cn(Cc2nc(Cc3cccc(Br)c3)no2)nn1 ZINC000641041615 565342161 /nfs/dbraw/zinc/34/21/61/565342161.db2.gz NXBAHQFHEJYVMV-MRXNPFEDSA-N 1 0 391.273 2.647 20 0 GFADRO CC(C)(COc1ncc(Cl)cc1Cl)NC(=O)N[C@H]1CCC[NH2+]CC1 ZINC000641035229 565342522 /nfs/dbraw/zinc/34/25/22/565342522.db2.gz ZQJFKQSWAXYHMA-LBPRGKRZSA-N 1 0 375.300 2.987 20 0 GFADRO COc1cc(Cn2cc(C[NH2+]C3CCCCC3)nn2)c(Br)cn1 ZINC000641105324 565346043 /nfs/dbraw/zinc/34/60/43/565346043.db2.gz ZZJPEZUVIUFOMU-UHFFFAOYSA-N 1 0 380.290 2.915 20 0 GFADRO O=C1CCCN1C[C@H]1CC[N@@H+](CCOc2cc(F)cc(Br)c2)C1 ZINC000662050694 565347134 /nfs/dbraw/zinc/34/71/34/565347134.db2.gz KTKMWSBTXJVPST-ZDUSSCGKSA-N 1 0 385.277 2.911 20 0 GFADRO CC(C)NC(=O)[C@@H]1CCC[N@H+](C[C@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000662112200 565349587 /nfs/dbraw/zinc/34/95/87/565349587.db2.gz BOFKXDRZTQEQDW-HIFRSBDPSA-N 1 0 389.323 2.970 20 0 GFADRO [NH3+][C@H](c1cn(Cc2nc3ccc(Br)cc3o2)nn1)C1CCOCC1 ZINC000641129869 565349864 /nfs/dbraw/zinc/34/98/64/565349864.db2.gz GXTCPKFHEHPMNF-INIZCTEOSA-N 1 0 392.257 2.657 20 0 GFADRO COCCN(C)Cc1cn(Cc2ccc(Br)c3cccnc23)nn1 ZINC000641156796 565349962 /nfs/dbraw/zinc/34/99/62/565349962.db2.gz GHRCVUIBBYQELW-UHFFFAOYSA-N 1 0 390.285 2.715 20 0 GFADRO O=C(CCCN1CCC([N@@H+]2CC[C@@H](O)C2)CC1)c1ccc(Br)cc1 ZINC000662151270 565351114 /nfs/dbraw/zinc/35/11/14/565351114.db2.gz HGAZZLVKLVRSTO-GOSISDBHSA-N 1 0 395.341 2.943 20 0 GFADRO CCCN(C)CC(C)(C)[NH2+]CCS(=O)(=O)c1cccc(Br)c1 ZINC000662174723 565352564 /nfs/dbraw/zinc/35/25/64/565352564.db2.gz DJXNVKIJTNECCH-UHFFFAOYSA-N 1 0 391.375 2.933 20 0 GFADRO O[C@H](COc1ccc(Cl)c(Cl)c1)Cn1cc(C[C@H]2CCC[NH2+]C2)nn1 ZINC000641206267 565354385 /nfs/dbraw/zinc/35/43/85/565354385.db2.gz RELXUJWHAOJHEN-OCCSQVGLSA-N 1 0 385.295 2.567 20 0 GFADRO COC(=O)c1cc(Cl)c(C)c(S(=O)(=O)N2CCC[C@H](C)[C@H]2CC[NH3+])c1 ZINC000593733741 565358026 /nfs/dbraw/zinc/35/80/26/565358026.db2.gz INOCJUNSMHGWJW-XHDPSFHLSA-N 1 0 388.917 2.573 20 0 GFADRO Cc1ccc(CN(C[C@H]2CCCO2)C[C@H]2C[NH2+]CCO2)c(Br)c1 ZINC000662281910 565358192 /nfs/dbraw/zinc/35/81/92/565358192.db2.gz MMJXHZUPUDZVSL-IAGOWNOFSA-N 1 0 383.330 2.727 20 0 GFADRO NC(=O)[C@@H](c1ccc(Br)cc1)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662296475 565358962 /nfs/dbraw/zinc/35/89/62/565358962.db2.gz KYJGEFYQYOOUMW-NVXWUHKLSA-N 1 0 380.330 2.687 20 0 GFADRO N[C@H](C(=O)N1CCN(c2ccc(F)cc2)CC1)c1ccccc1Br ZINC000662348526 565361776 /nfs/dbraw/zinc/36/17/76/565361776.db2.gz CJOLSNOBVHVRFL-KRWDZBQOSA-N 1 0 392.272 2.937 20 0 GFADRO CCC[N@@H+]1CC[C@H](NC(=O)CSc2nnc(-c3cccs3)n2CC)C1 ZINC000619894367 565362744 /nfs/dbraw/zinc/36/27/44/565362744.db2.gz WZPORXSVGXHDFG-ZDUSSCGKSA-N 1 0 379.555 2.719 20 0 GFADRO CCC[N@@H+]1CC[C@@H](NC(=O)c2cn(Cc3ccc(Cl)cc3Cl)nn2)C1 ZINC000619904316 565364044 /nfs/dbraw/zinc/36/40/44/565364044.db2.gz JBLGEKQPNDWWPA-CQSZACIVSA-N 1 0 382.295 2.847 20 0 GFADRO Cc1csc([C@H](NS(=O)(=O)c2cccc3c2CCN(C)C3)C2CC2)n1 ZINC000641354083 565365310 /nfs/dbraw/zinc/36/53/10/565365310.db2.gz LRSAMYIDTHLEON-QGZVFWFLSA-N 1 0 377.535 2.869 20 0 GFADRO CC(C)C[C@H](C[NH3+])CC(=O)NCc1cc(Br)c2c(c1)OCCO2 ZINC000662416173 565365854 /nfs/dbraw/zinc/36/58/54/565365854.db2.gz VKSWGJCRVMUREK-LBPRGKRZSA-N 1 0 385.302 2.848 20 0 GFADRO C[C@H]1C[NH2+]CCN1C(=O)Cc1ccc(Br)c(Br)c1 ZINC000662405023 565366670 /nfs/dbraw/zinc/36/66/70/565366670.db2.gz VNIKWECWSNSZSC-VIFPVBQESA-N 1 0 376.092 2.574 20 0 GFADRO C[C@@H]1CCCN(C(=O)Cc2ccc(I)cc2)[C@H]1CC[NH3+] ZINC000593917645 565367093 /nfs/dbraw/zinc/36/70/93/565367093.db2.gz XGXWCYMRAWOBRQ-DOMZBBRYSA-N 1 0 386.277 2.810 20 0 GFADRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)[C@@H]1CCO[C@H]1c1cncc(Br)c1 ZINC000662429606 565367463 /nfs/dbraw/zinc/36/74/63/565367463.db2.gz WHKVKEAKANKBPX-PMPSAXMXSA-N 1 0 384.318 2.754 20 0 GFADRO CC[C@H]([NH2+]C)C(=O)N1CCC(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000662432145 565367501 /nfs/dbraw/zinc/36/75/01/565367501.db2.gz KUGHPLBQRCYRRL-HNNXBMFYSA-N 1 0 382.302 2.624 20 0 GFADRO COC1CC[NH+](C2(CNC(=O)c3cc(Br)c[nH]3)CCCC2)CC1 ZINC000593925677 565368609 /nfs/dbraw/zinc/36/86/09/565368609.db2.gz CUBUMXOEDBXDBW-UHFFFAOYSA-N 1 0 384.318 2.931 20 0 GFADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3sc4c(c3Br)CNC4)CC[C@H]21 ZINC000662502159 565372367 /nfs/dbraw/zinc/37/23/67/565372367.db2.gz JSOGNIDOOQMVKG-ZYHUDNBSSA-N 1 0 384.343 2.670 20 0 GFADRO Cn1cc(NC(=O)c2ccc3c(c2)[C@H](C[NH3+])CCC3)cc(Br)c1=O ZINC000662496590 565372829 /nfs/dbraw/zinc/37/28/29/565372829.db2.gz MOXCVLWKBKCJTR-ZDUSSCGKSA-N 1 0 390.281 2.779 20 0 GFADRO C[C@@H](Cc1ccc(F)c(Br)c1)NC(=O)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC000662502879 565373041 /nfs/dbraw/zinc/37/30/41/565373041.db2.gz NZDDOKHXKVREKE-JQWIXIFHSA-N 1 0 395.276 2.749 20 0 GFADRO O=C(NCCNc1cccc(Br)c1)c1cc2c(s1)CC[NH2+]C2 ZINC000662514191 565373640 /nfs/dbraw/zinc/37/36/40/565373640.db2.gz LGRCJUMLSXHLLZ-UHFFFAOYSA-N 1 0 380.311 2.998 20 0 GFADRO O=C(c1cc(-c2cccc(Br)c2)no1)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000662519150 565373788 /nfs/dbraw/zinc/37/37/88/565373788.db2.gz NLCZZVSCXUBGRE-NHYWBVRUSA-N 1 0 376.254 2.928 20 0 GFADRO CCO[C@H](CC[NH+](C)C)CNC(=O)[C@@H](NC)c1cccc(Cl)c1Cl ZINC000662536395 565376184 /nfs/dbraw/zinc/37/61/84/565376184.db2.gz LIJCGZJMRNZJQU-WBMJQRKESA-N 1 0 376.328 2.727 20 0 GFADRO [NH3+]CC[C@@H](NC(=O)c1cc(Br)cc(N2CCCC2)c1)C(F)F ZINC000662567682 565377451 /nfs/dbraw/zinc/37/74/51/565377451.db2.gz YNHKGLIUWOUANQ-CYBMUJFWSA-N 1 0 376.245 2.762 20 0 GFADRO [NH3+]C1CCC(OCC(=O)N2CCN(c3ccc(Cl)c(Cl)c3)CC2)CC1 ZINC000662629286 565379300 /nfs/dbraw/zinc/37/93/00/565379300.db2.gz ANKTUGHMFMXRPO-UHFFFAOYSA-N 1 0 386.323 2.929 20 0 GFADRO O=C([C@H]1CC12CC[NH2+]CC2)N1CCOC[C@@H]1c1ccc(Br)cc1 ZINC000662661919 565380646 /nfs/dbraw/zinc/38/06/46/565380646.db2.gz XLDKWTZFWBBPFT-HZPDHXFCSA-N 1 0 379.298 2.739 20 0 GFADRO Cn1cc([C@@H]2N(C(=O)[C@@](C)([NH3+])c3ccc(Br)cc3)CC2(C)C)cn1 ZINC000662755154 565384770 /nfs/dbraw/zinc/38/47/70/565384770.db2.gz DISSSNNJALWCNZ-YJBOKZPZSA-N 1 0 391.313 2.966 20 0 GFADRO Cc1cc(Br)c(O)c(NC(=O)c2cn([C@H]3CCC[NH2+]CC3)nn2)c1 ZINC000662794561 565384839 /nfs/dbraw/zinc/38/48/39/565384839.db2.gz OIJXWKRHXGHULA-NSHDSACASA-N 1 0 394.273 2.622 20 0 GFADRO [NH3+]Cc1cc(=O)[nH]c(CNC(=O)C2(c3c(Cl)cccc3Cl)CCC2)n1 ZINC000662749050 565385027 /nfs/dbraw/zinc/38/50/27/565385027.db2.gz IXIKZOFIRUULFB-UHFFFAOYSA-N 1 0 381.263 2.686 20 0 GFADRO Cc1ccc(F)c(C(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)c1Br ZINC000620478687 565385147 /nfs/dbraw/zinc/38/51/47/565385147.db2.gz FJPAOTUPKOPCJD-CYBMUJFWSA-N 1 0 385.277 2.568 20 0 GFADRO Cc1c(Br)cccc1CNC(=O)c1cnn2c1[C@H](C[NH3+])CCC2 ZINC000594446956 565385918 /nfs/dbraw/zinc/38/59/18/565385918.db2.gz BTSIYOKJNQUFSP-LBPRGKRZSA-N 1 0 377.286 2.720 20 0 GFADRO O=C(CCOc1cccc(Cl)c1Cl)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000620486352 565386329 /nfs/dbraw/zinc/38/63/29/565386329.db2.gz DNAWDILOLLANEN-CQSZACIVSA-N 1 0 387.307 2.820 20 0 GFADRO C[C@@H](Oc1cc(Cl)cc(Cl)c1)C(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000620484211 565386451 /nfs/dbraw/zinc/38/64/51/565386451.db2.gz JDPZAOVOGSLVHK-WBMJQRKESA-N 1 0 387.307 2.818 20 0 GFADRO COC(=O)c1cc(NC(=O)[C@H]2C[C@]23CCC[NH2+]C3)cc(Br)c1F ZINC000594456379 565388293 /nfs/dbraw/zinc/38/82/93/565388293.db2.gz NYRJCVPVKQXNKY-BZNIZROVSA-N 1 0 385.233 2.703 20 0 GFADRO O=C(N1CCc2ccc(Cl)c(Cl)c2C1)C1(n2cccn2)CC[NH2+]CC1 ZINC000662854133 565388510 /nfs/dbraw/zinc/38/85/10/565388510.db2.gz MKXBIGONEYKDEQ-UHFFFAOYSA-N 1 0 379.291 2.854 20 0 GFADRO O=C([C@@H]1C[NH2+]CCC1(F)F)N1CCN(c2ccc(Cl)cc2Cl)CC1 ZINC000662857018 565388536 /nfs/dbraw/zinc/38/85/36/565388536.db2.gz BJGOBTIHRAZWKL-LBPRGKRZSA-N 1 0 378.250 2.887 20 0 GFADRO C[NH2+]C[C@H](C)NC(=O)c1ccc(NC(=O)c2ccc(Br)o2)cc1 ZINC000662961189 565390624 /nfs/dbraw/zinc/39/06/24/565390624.db2.gz USYBMXFCJCVLHV-JTQLQIEISA-N 1 0 380.242 2.632 20 0 GFADRO [NH3+][C@@H]1CCCCN(CC(=O)Nc2ccc(OC(F)(F)F)cc2Cl)C1=O ZINC000663010310 565393313 /nfs/dbraw/zinc/39/33/13/565393313.db2.gz STNILEXFJIBRKI-LLVKDONJSA-N 1 0 379.766 2.517 20 0 GFADRO CN(CCCC[NH+]1CCCCC1)S(=O)(=O)c1ncccc1Br ZINC000641698331 565395209 /nfs/dbraw/zinc/39/52/09/565395209.db2.gz VIEPHSZEEKZVHJ-UHFFFAOYSA-N 1 0 390.347 2.731 20 0 GFADRO CC(C)([NH3+])CCNC(=O)C(=O)Nc1cccc(Cl)c1SCC(F)F ZINC000641822619 565400029 /nfs/dbraw/zinc/40/00/29/565400029.db2.gz WDKLXCODDIFNDD-UHFFFAOYSA-N 1 0 379.860 2.879 20 0 GFADRO Cc1ccc(CC(=O)N2CCO[C@H](CCC[NH+](C)C)C2)c(Br)c1 ZINC000620979211 565402891 /nfs/dbraw/zinc/40/28/91/565402891.db2.gz QXCWSJGOHIBISP-MRXNPFEDSA-N 1 0 383.330 2.869 20 0 GFADRO C[NH+](C)CCC[C@@H]1CN(C(=O)Cc2ccc(Br)s2)CCO1 ZINC000620970593 565402945 /nfs/dbraw/zinc/40/29/45/565402945.db2.gz UBEZWAKZKORBEB-GFCCVEGCSA-N 1 0 375.332 2.622 20 0 GFADRO Cc1nc(C(=O)N2CCC[N@H+](C[C@H]3CCCO3)CC2)c(Br)s1 ZINC000663252696 565403780 /nfs/dbraw/zinc/40/37/80/565403780.db2.gz QDAZWRHWCKYGPY-GFCCVEGCSA-N 1 0 388.331 2.541 20 0 GFADRO CC(C)[C@@H]1CN(C(=O)CSc2nnc(-c3ccc(Cl)cc3)o2)CC[NH2+]1 ZINC000621147870 565408083 /nfs/dbraw/zinc/40/80/83/565408083.db2.gz AVNJKRMMVYGYJJ-AWEZNQCLSA-N 1 0 380.901 2.939 20 0 GFADRO C[C@@H]1CCN(c2ncnc3cccc(I)c32)[C@H](C[NH3+])C1 ZINC000594699492 565408543 /nfs/dbraw/zinc/40/85/43/565408543.db2.gz WBFGRQREDNIWCS-MNOVXSKESA-N 1 0 382.249 2.798 20 0 GFADRO CN([C@@H](C[NH3+])C(F)(F)F)S(=O)(=O)c1cccc(Br)c1Cl ZINC000663310385 565411591 /nfs/dbraw/zinc/41/15/91/565411591.db2.gz VIRBTZUTHVSMBF-QMMMGPOBSA-N 1 0 395.628 2.613 20 0 GFADRO NC(=O)[C@H]([NH2+]C[C@H]1CCN1Cc1ccccc1)c1ccc(Br)cc1 ZINC000663312461 565411739 /nfs/dbraw/zinc/41/17/39/565411739.db2.gz XZZZBQHWAMQPAC-QZTJIDSGSA-N 1 0 388.309 2.840 20 0 GFADRO CC1(C)OCC[C@@H]1C[NH2+]CCS(=O)(=O)c1cccc(Br)c1 ZINC000663370456 565414824 /nfs/dbraw/zinc/41/48/24/565414824.db2.gz LENUQVXFJCOSFJ-GFCCVEGCSA-N 1 0 376.316 2.628 20 0 GFADRO CCCC(=O)NC1CC[NH+](C[C@H](O)COc2ccc(Br)cc2)CC1 ZINC000642623431 565416553 /nfs/dbraw/zinc/41/65/53/565416553.db2.gz KEJTXUOXMQLKSC-INIZCTEOSA-N 1 0 399.329 2.570 20 0 GFADRO C[C@@H](NC(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1)c1ccc(Br)cc1 ZINC000663443006 565421264 /nfs/dbraw/zinc/42/12/64/565421264.db2.gz NRIXAUMPOFZDMC-CXAGYDPISA-N 1 0 396.329 2.751 20 0 GFADRO CCOc1cncc(CNc2cc(N3CCOCC3)c(Br)c[nH+]2)c1 ZINC000621360348 565421987 /nfs/dbraw/zinc/42/19/87/565421987.db2.gz TWXFPCXDJSWABI-UHFFFAOYSA-N 1 0 393.285 2.508 20 0 GFADRO O=S(=O)(c1ccc(C(F)(F)F)s1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000643186168 565422882 /nfs/dbraw/zinc/42/28/82/565422882.db2.gz LLLMIGFNODLTHR-UHFFFAOYSA-N 1 0 377.413 2.673 20 0 GFADRO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)Nc1ccc(OC(F)(F)F)cc1Cl ZINC000663602963 565428328 /nfs/dbraw/zinc/42/83/28/565428328.db2.gz DTPSCHJTMAIONQ-VIFPVBQESA-N 1 0 381.782 2.667 20 0 GFADRO OC[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1Nc1cc(Br)cnn1 ZINC000663727525 565432898 /nfs/dbraw/zinc/43/28/98/565432898.db2.gz RGKZTWDPJBHUBG-GDBMZVCRSA-N 1 0 377.286 2.534 20 0 GFADRO COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]CCC(=O)Nc1ccc(Br)cc1C ZINC000594925524 565435486 /nfs/dbraw/zinc/43/54/86/565435486.db2.gz MHHVIEFVGKDDAG-MRVWCRGKSA-N 1 0 383.286 2.873 20 0 GFADRO CC1(C)CN(C(=O)[C@H]2CCCN2C(=O)c2ccc(Cl)c(Cl)c2)CC[NH2+]1 ZINC000643593511 565435519 /nfs/dbraw/zinc/43/55/19/565435519.db2.gz UNAPGTVDOOXCAR-OAHLLOKOSA-N 1 0 384.307 2.808 20 0 GFADRO [NH3+]C[C@H]1c2ccccc2CCN1C(=O)c1cc2c(cc1Br)OCO2 ZINC000621667913 565435946 /nfs/dbraw/zinc/43/59/46/565435946.db2.gz PICORIPNLAQBOY-HNNXBMFYSA-N 1 0 389.249 2.876 20 0 GFADRO COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]Cc1nnc2c(Cl)cc(C(F)(F)F)cn12 ZINC000594915893 565436019 /nfs/dbraw/zinc/43/60/19/565436019.db2.gz XDRQPQZFCKDAKX-FXBDTBDDSA-N 1 0 376.766 2.689 20 0 GFADRO [NH3+]CCc1nc(C(=O)NCC(F)(F)c2ccc(Br)cc2)cs1 ZINC000621675260 565436397 /nfs/dbraw/zinc/43/63/97/565436397.db2.gz UZVPYMLRQASMBW-UHFFFAOYSA-N 1 0 390.253 2.929 20 0 GFADRO CCC[N@H+](C)CC(C)(C)NC(=O)NCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000663784296 565436484 /nfs/dbraw/zinc/43/64/84/565436484.db2.gz NIVGIOJKSWQGRX-UHFFFAOYSA-N 1 0 389.949 2.533 20 0 GFADRO C[C@H](CN1CC[NH+](C)CC1)N[C@@H](c1ccc(Br)cc1)C(F)F ZINC000621751558 565439402 /nfs/dbraw/zinc/43/94/02/565439402.db2.gz IUYQDJNCHFUDNY-DOMZBBRYSA-N 1 0 376.289 2.981 20 0 GFADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)NCCOCC1CC1 ZINC000595002025 565440669 /nfs/dbraw/zinc/44/06/69/565440669.db2.gz IMLPKTYKMUWDOD-UHFFFAOYSA-N 1 0 398.345 2.949 20 0 GFADRO COC(=O)CC(C)(C)C[C@H](C)[NH2+]CCNS(=O)(=O)c1cccc(Cl)c1 ZINC000595014192 565442171 /nfs/dbraw/zinc/44/21/71/565442171.db2.gz LSYXZUGJJSBGNS-ZDUSSCGKSA-N 1 0 390.933 2.576 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)NCC(F)(F)c2ccc(Br)cc2)C1 ZINC000621851303 565444863 /nfs/dbraw/zinc/44/48/63/565444863.db2.gz QJTLWHLGOIDKNN-MNOVXSKESA-N 1 0 376.245 2.920 20 0 GFADRO O=C(c1cc2c(cc1Br)OCO2)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000621856745 565444894 /nfs/dbraw/zinc/44/48/94/565444894.db2.gz CFFWICDUDCDLLH-GFCCVEGCSA-N 1 0 381.270 2.878 20 0 GFADRO OC1(CC[NH2+][C@H]2CCc3ccc(I)cc32)CCOCC1 ZINC000595041281 565444981 /nfs/dbraw/zinc/44/49/81/565444981.db2.gz DOQDNRSFNASMAZ-HNNXBMFYSA-N 1 0 387.261 2.800 20 0 GFADRO COC(=O)CC(C)(C)C[C@@H](C)[NH2+][C@@H](C(N)=O)c1cccc(Br)c1 ZINC000595044911 565445367 /nfs/dbraw/zinc/44/53/67/565445367.db2.gz ADKGQFOBMGFBAC-IAQYHMDHSA-N 1 0 385.302 2.933 20 0 GFADRO C[C@H](CSCCF)[NH2+]CCNS(=O)(=O)c1cccc(Cl)c1Cl ZINC000595052648 565445886 /nfs/dbraw/zinc/44/58/86/565445886.db2.gz ZPKJYBVIYFQNQJ-SNVBAGLBSA-N 1 0 389.345 2.953 20 0 GFADRO O=C(c1cc(Br)c[nH]c1=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000621926948 565449969 /nfs/dbraw/zinc/44/99/69/565449969.db2.gz ZSOPYRFVSRBQLX-NHYWBVRUSA-N 1 0 380.286 2.639 20 0 GFADRO Brc1ccc(N2CC[C@H](C[NH2+]C[C@@H]3CNc4ccnn4C3)C2)cc1 ZINC000595153862 565452374 /nfs/dbraw/zinc/45/23/74/565452374.db2.gz PORUYHGGJHZXJE-HUUCEWRRSA-N 1 0 390.329 2.803 20 0 GFADRO O=C(NCC1CC[NH+](C2CC2)CC1)c1cc2c(cc1Br)OCO2 ZINC000621976390 565453429 /nfs/dbraw/zinc/45/34/29/565453429.db2.gz UEPYXIVIKMCGKG-UHFFFAOYSA-N 1 0 381.270 2.782 20 0 GFADRO O=C(Nc1ccnn1Cc1ccc(Br)cc1)[C@H]1C[NH2+]CCC1(F)F ZINC000643992349 565453977 /nfs/dbraw/zinc/45/39/77/565453977.db2.gz BVJLPZCSMINAMM-CYBMUJFWSA-N 1 0 399.239 2.877 20 0 GFADRO [NH3+][C@]12CCC[C@H]1CN(S(=O)(=O)c1cc(Cl)ccc1OC(F)(F)F)C2 ZINC000622014658 565455332 /nfs/dbraw/zinc/45/53/32/565455332.db2.gz JEIAXKHBVFMLPO-ZANVPECISA-N 1 0 384.807 2.741 20 0 GFADRO CC1(C)C[NH2+][C@H]1C(=O)NCC1(c2ccc(Br)cc2)CCOCC1 ZINC000644016934 565455327 /nfs/dbraw/zinc/45/53/27/565455327.db2.gz OGCVJBPBPQLGGU-HNNXBMFYSA-N 1 0 381.314 2.612 20 0 GFADRO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)c1ncc(Br)cc1Br ZINC000644065839 565456051 /nfs/dbraw/zinc/45/60/51/565456051.db2.gz KAWKCTUNAXPDEF-GZMMTYOYSA-N 1 0 391.107 2.854 20 0 GFADRO COc1cc(I)ccc1NC(=O)NCC[C@@H]([NH3+])C(C)C ZINC000595232442 565457144 /nfs/dbraw/zinc/45/71/44/565457144.db2.gz CFRAGOJXSBKSIH-LLVKDONJSA-N 1 0 391.253 2.795 20 0 GFADRO FC1(F)C[C@H]1OCCNc1nc(NCCO[C@H]2CC2(F)F)ncc1Cl ZINC000664309282 565458484 /nfs/dbraw/zinc/45/84/84/565458484.db2.gz HZOTUWUMWOALOZ-ZJUUUORDSA-N 1 0 384.761 2.802 20 0 GFADRO COc1ccc(Br)cc1CC(=O)NC[C@@H]([NH3+])c1ccccc1OC ZINC000644091551 565458687 /nfs/dbraw/zinc/45/86/87/565458687.db2.gz XRYKFMSSALPQSH-OAHLLOKOSA-N 1 0 393.281 2.825 20 0 GFADRO CC[C@@H](Cc1ccccc1Br)C(=O)NC[C@]1(COC)CCC[NH2+]1 ZINC000644126185 565460157 /nfs/dbraw/zinc/46/01/57/565460157.db2.gz HPNYFWDWAAAWKO-KSSFIOAISA-N 1 0 383.330 2.903 20 0 GFADRO O=C(c1cn(-c2ccc(Br)cc2)cn1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000644128568 565460603 /nfs/dbraw/zinc/46/06/03/565460603.db2.gz SNCLMUWQVOWOQM-GOSISDBHSA-N 1 0 389.297 2.851 20 0 GFADRO O=C(Nc1cnn(-c2ccccc2Br)c1)[C@H]1C[NH2+]CCC1(F)F ZINC000644151290 565461683 /nfs/dbraw/zinc/46/16/83/565461683.db2.gz PFTGWLOSLCIFFE-LLVKDONJSA-N 1 0 385.212 2.818 20 0 GFADRO C[C@H](NC(=O)Cn1cc2c(n1)[C@@H]([NH3+])CCC2)c1ccc(Br)cc1 ZINC000644167774 565461694 /nfs/dbraw/zinc/46/16/94/565461694.db2.gz NAVAHDLHCDYYDE-NHYWBVRUSA-N 1 0 377.286 2.859 20 0 GFADRO Cc1sc2nc(C)nc(SCC(=O)N[C@H]3CC34CC[NH2+]CC4)c2c1C ZINC000644145706 565461801 /nfs/dbraw/zinc/46/18/01/565461801.db2.gz OODFIMFSAKKMBO-ZDUSSCGKSA-N 1 0 376.551 2.967 20 0 GFADRO [NH3+][C@@H]1CC[C@@H](C(F)(F)F)N(C(=O)COc2ccc(Br)cc2F)C1 ZINC000622761647 565473268 /nfs/dbraw/zinc/47/32/68/565473268.db2.gz VYDDUFCCYYLZBX-SKDRFNHKSA-N 1 0 399.182 2.848 20 0 GFADRO Cc1ccc(Br)cc1CNC(=O)NCCN1C[C@@H](C)OC[C@@H]1C ZINC000664723173 565475584 /nfs/dbraw/zinc/47/55/84/565475584.db2.gz WMHQQFKIRSAVQS-UONOGXRCSA-N 1 0 384.318 2.666 20 0 GFADRO O=C(N1CCOC2(C[NH2+]C2)C1)C1(c2ccc(Br)cc2)CCCCC1 ZINC000664726829 565475781 /nfs/dbraw/zinc/47/57/81/565475781.db2.gz ZHFBMRHYYOZIMN-UHFFFAOYSA-N 1 0 393.325 2.852 20 0 GFADRO CCN(C(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1)[C@@H]1CC[N@H+](C)C1 ZINC000664771123 565477547 /nfs/dbraw/zinc/47/75/47/565477547.db2.gz BMFWHAVTZUIPGC-NVXWUHKLSA-N 1 0 395.345 2.763 20 0 GFADRO CC[NH+](CC)CCN(C(=O)c1nccnc1C)c1ccc(Br)cn1 ZINC000622859801 565478747 /nfs/dbraw/zinc/47/87/47/565478747.db2.gz BYCZLPMQMATVDB-UHFFFAOYSA-N 1 0 392.301 2.931 20 0 GFADRO C[C@H](NC(=O)N1CCO[C@@H](CCC[NH+](C)C)C1)c1ccc(Br)cn1 ZINC000664793158 565478919 /nfs/dbraw/zinc/47/89/19/565478919.db2.gz VRCVLYFVFVMNSM-ZFWWWQNUSA-N 1 0 399.333 2.657 20 0 GFADRO CS(=O)(=O)NC1(C[NH2+]CCC(=O)Nc2ccc(Cl)cc2)CCCCC1 ZINC000644515265 565479589 /nfs/dbraw/zinc/47/95/89/565479589.db2.gz WGXLEKJYOYGWLY-UHFFFAOYSA-N 1 0 387.933 2.510 20 0 GFADRO O=C(C[NH2+]C1(CCO)CCCC1)Nc1ccc(I)cc1 ZINC000595509312 565480183 /nfs/dbraw/zinc/48/01/83/565480183.db2.gz QNJZATWIFSIJQW-UHFFFAOYSA-N 1 0 388.249 2.515 20 0 GFADRO C[C@@H]1C[N@H+](C)[C@H](C)[C@H](C)N1C(=O)c1cc(Br)cc2c1OCCO2 ZINC000622889395 565480613 /nfs/dbraw/zinc/48/06/13/565480613.db2.gz JDKHCBCCDGGDRZ-UTUOFQBUSA-N 1 0 383.286 2.773 20 0 GFADRO O[C@H](C[NH2+]CCc1ccc2c(c1)CCO2)COc1ccc(Br)cc1 ZINC000644566028 565481951 /nfs/dbraw/zinc/48/19/51/565481951.db2.gz BEBIWBFHFZSRLZ-QGZVFWFLSA-N 1 0 392.293 2.956 20 0 GFADRO CCCCN(C)CC[NH2+]CCS(=O)(=O)c1cccc(Br)c1 ZINC000644561641 565482019 /nfs/dbraw/zinc/48/20/19/565482019.db2.gz CUJNQMRTAHVGSD-UHFFFAOYSA-N 1 0 377.348 2.544 20 0 GFADRO CS(=O)(=O)[C@@H]1CCC[C@@H]([NH2+]C[C@@H](O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000644573396 565482847 /nfs/dbraw/zinc/48/28/47/565482847.db2.gz ZUXHZJWBUZUJRP-YRGRVCCFSA-N 1 0 396.336 2.679 20 0 GFADRO Cc1cc(OC[C@@H](O)C[NH2+]CC(C)(C)S(C)(=O)=O)c(C(C)C)cc1Cl ZINC000644584014 565483022 /nfs/dbraw/zinc/48/30/22/565483022.db2.gz JQLALTPTESIAIJ-AWEZNQCLSA-N 1 0 391.961 2.924 20 0 GFADRO O[C@@H](C[NH2+][C@H]1CCN(c2ccccn2)C1)COc1ccc(Cl)cc1Cl ZINC000644608319 565483587 /nfs/dbraw/zinc/48/35/87/565483587.db2.gz APOJKPPYNSPILJ-GJZGRUSLSA-N 1 0 382.291 2.997 20 0 GFADRO C[C@@H]1CC([NH2+]CCS(=O)(=O)c2cccc(Br)c2)C[C@@H](C)O1 ZINC000644612227 565485253 /nfs/dbraw/zinc/48/52/53/565485253.db2.gz RWZQHDOWTSQQQD-VXGBXAGGSA-N 1 0 376.316 2.768 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C(=O)N1CC[C@@H]2C[N@@H+](C)C[C@H]21 ZINC000644811341 565495008 /nfs/dbraw/zinc/49/50/08/565495008.db2.gz ABLFUNSHKANWNR-CXAGYDPISA-N 1 0 389.297 2.719 20 0 GFADRO CC1CC[NH+](C[C@H]2CCCN(C(=O)Cn3cc(Br)cn3)C2)CC1 ZINC000623094476 565495458 /nfs/dbraw/zinc/49/54/58/565495458.db2.gz YQKRNKVHWMFLRY-OAHLLOKOSA-N 1 0 383.334 2.616 20 0 GFADRO Cc1c(C(=O)N2CC[C@H]3C[N@@H+](C)C[C@H]32)cnn1-c1cccc(Br)c1 ZINC000644816174 565496292 /nfs/dbraw/zinc/49/62/92/565496292.db2.gz TZPKBXIAMSRQJV-SUMWQHHRSA-N 1 0 389.297 2.719 20 0 GFADRO Ic1ccc([C@H]2CCCN2C[C@@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000595884385 565496730 /nfs/dbraw/zinc/49/67/30/565496730.db2.gz FDXGOXHJSQCNDT-JKSUJKDBSA-N 1 0 398.288 2.949 20 0 GFADRO C[N@@H+]1CC[C@]2(CCN(C(=O)c3cc(=O)[nH]c4ccc(Br)cc43)C2)C1 ZINC000644829817 565496975 /nfs/dbraw/zinc/49/69/75/565496975.db2.gz CKBFMGSECGFUME-SFHVURJKSA-N 1 0 390.281 2.871 20 0 GFADRO O=C(C[C@@H]1CCC[NH2+]1)NCc1cc(Cl)ccc1I ZINC000595937665 565500330 /nfs/dbraw/zinc/50/03/30/565500330.db2.gz IUKUQUNPUDZJQC-NSHDSACASA-N 1 0 378.641 2.703 20 0 GFADRO COc1cc2[nH+]ccc(N3CCC[C@H]4C(=O)NC[C@H]43)c2cc1Br ZINC000644876749 565500436 /nfs/dbraw/zinc/50/04/36/565500436.db2.gz KIJHNFQVWZJADU-MEBBXXQBSA-N 1 0 376.254 2.721 20 0 GFADRO CO[C@]1(C(F)(F)F)CCCN(C(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)C1 ZINC000665444029 565500583 /nfs/dbraw/zinc/50/05/83/565500583.db2.gz HIFVWXZQMLVOAA-GDBMZVCRSA-N 1 0 380.476 2.774 20 0 GFADRO C[C@@H]1CC[NH2+][C@@H](C(=O)NCc2cc(Cl)ccc2I)C1 ZINC000595963383 565502848 /nfs/dbraw/zinc/50/28/48/565502848.db2.gz QIFNUSITMYGZNG-NOZJJQNGSA-N 1 0 392.668 2.949 20 0 GFADRO COC(=O)[C@@H](NC(=O)C[C@H](C)C1CC[NH2+]CC1)c1ccccc1Br ZINC000595970801 565503843 /nfs/dbraw/zinc/50/38/43/565503843.db2.gz NUQJOSOSDRKHKR-SJCJKPOMSA-N 1 0 397.313 2.805 20 0 GFADRO Cc1c(F)c(Br)ccc1C(=O)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000665577198 565505167 /nfs/dbraw/zinc/50/51/67/565505167.db2.gz LRDAEPZKDCBGBU-UHFFFAOYSA-N 1 0 398.320 2.750 20 0 GFADRO COc1ncc(Br)cc1CNC(=O)NC[C@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000623422076 565510047 /nfs/dbraw/zinc/51/00/47/565510047.db2.gz IZEUVGMRWMMOCG-STQMWFEESA-N 1 0 399.333 2.915 20 0 GFADRO C[N@@H+]1CCC[C@]2(CCN(S(=O)(=O)Cc3cccc(C(F)(F)F)c3)C2)C1 ZINC000645093287 565511616 /nfs/dbraw/zinc/51/16/16/565511616.db2.gz RMQGGRFSIQTGEO-INIZCTEOSA-N 1 0 376.444 2.953 20 0 GFADRO CC(C)[NH+]1CCC(N(C)C(=O)c2cc(Br)cc3[nH]c(=O)[nH]c32)CC1 ZINC000665881531 565513955 /nfs/dbraw/zinc/51/39/55/565513955.db2.gz ZPBPGICDYURJOC-UHFFFAOYSA-N 1 0 395.301 2.976 20 0 GFADRO C[C@H](NC(=O)N1CN(CC[NH+](C)C)C(=O)[C@@H]1C)c1cccc(Cl)c1Cl ZINC000645229374 565517855 /nfs/dbraw/zinc/51/78/55/565517855.db2.gz BERNUPFJLHKWFA-RYUDHWBXSA-N 1 0 387.311 2.816 20 0 GFADRO OC[C@H](CCF)[NH2+]Cc1cc(Cl)cc(Cl)c1OCCN1CCOCC1 ZINC000623560647 565518316 /nfs/dbraw/zinc/51/83/16/565518316.db2.gz NNRYXEGOJLATIE-HNNXBMFYSA-N 1 0 395.302 2.515 20 0 GFADRO COc1ncc(Br)cc1CNC(=O)NC[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000623601814 565520860 /nfs/dbraw/zinc/52/08/60/565520860.db2.gz RAKKYCBTRXYOIK-STQMWFEESA-N 1 0 399.333 2.772 20 0 GFADRO CN(C1CC[NH+](C)CC1)S(=O)(=O)Cc1ccc(Br)cc1Cl ZINC000645420811 565525051 /nfs/dbraw/zinc/52/50/51/565525051.db2.gz GAXOHYHSSOYJFQ-UHFFFAOYSA-N 1 0 395.750 2.958 20 0 GFADRO C[NH+](C)C1CCN(S(=O)(=O)Cc2cc(Cl)ccc2Br)CC1 ZINC000645467065 565528251 /nfs/dbraw/zinc/52/82/51/565528251.db2.gz YFUVLLCFRVVECB-UHFFFAOYSA-N 1 0 395.750 2.958 20 0 GFADRO CCCN(C(=O)NCCCCn1cc(Br)cn1)[C@H]1CC[N@H+](C)C1 ZINC000645484236 565529325 /nfs/dbraw/zinc/52/93/25/565529325.db2.gz PTPOBDSFUHHNGM-HNNXBMFYSA-N 1 0 386.338 2.552 20 0 GFADRO Cc1ccc(Br)cc1[C@H](C)[NH2+]CCCN1CCCS1(=O)=O ZINC000623911594 565535435 /nfs/dbraw/zinc/53/54/35/565535435.db2.gz GXRBZKCIORIZCA-ZDUSSCGKSA-N 1 0 375.332 2.834 20 0 GFADRO C[C@@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000623923792 565535939 /nfs/dbraw/zinc/53/59/39/565535939.db2.gz LOGZRCDJHUKVEG-QWRGUYRKSA-N 1 0 399.866 2.556 20 0 GFADRO C[C@H](CCNC(=O)Nc1cccc(F)c1I)[NH+](C)C ZINC000596810368 565536855 /nfs/dbraw/zinc/53/68/55/565536855.db2.gz RVPOCEDQKNOCSQ-SECBINFHSA-N 1 0 379.217 2.892 20 0 GFADRO COc1ncc(Br)cc1CNC(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000623976269 565537432 /nfs/dbraw/zinc/53/74/32/565537432.db2.gz CMXQTHOWYMUGSK-UHFFFAOYSA-N 1 0 397.317 2.669 20 0 GFADRO C[C@H]1CCC[N@H+](CCNC(=O)[C@@H]2CCO[C@H]2c2cncc(Br)c2)C1 ZINC000666428157 565537777 /nfs/dbraw/zinc/53/77/77/565537777.db2.gz JULUJZMJHPHCPV-XKQJLSEDSA-N 1 0 396.329 2.770 20 0 GFADRO C[N@@H+]1CCC[C@H](CNS(=O)(=O)CCC[C@@H]2CCOC2)[C@@H]1c1cccs1 ZINC000645561675 565538357 /nfs/dbraw/zinc/53/83/57/565538357.db2.gz HIIUXRLQASRPJS-JFIYKMOQSA-N 1 0 386.583 2.867 20 0 GFADRO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@H](n1cccn1)C(F)(F)F ZINC000624044287 565540330 /nfs/dbraw/zinc/54/03/30/565540330.db2.gz MGIJSLFQTHDHJX-JQWIXIFHSA-N 1 0 393.207 2.589 20 0 GFADRO C[C@@H]([NH2+]CCCN1CCC[C@H]1C(N)=O)c1cc(F)c(Br)cc1F ZINC000624087216 565542619 /nfs/dbraw/zinc/54/26/19/565542619.db2.gz MYQVXLHENLJGEF-BMIGLBTASA-N 1 0 390.272 2.718 20 0 GFADRO Brc1cccc2c1CC[C@@H]2[NH2+][C@H]1CCN(c2ccc3nncn3n2)C1 ZINC000624115852 565543967 /nfs/dbraw/zinc/54/39/67/565543967.db2.gz DROIFIWCOWUQQJ-LRDDRELGSA-N 1 0 399.296 2.743 20 0 GFADRO C[C@@H](O)C[N@@H+]1CCN(c2nccc(-c3ccc(Br)cc3)n2)[C@@H](C)C1 ZINC000624119230 565544268 /nfs/dbraw/zinc/54/42/68/565544268.db2.gz ZWYHATFPRUMKAU-UONOGXRCSA-N 1 0 391.313 2.797 20 0 GFADRO CC(C)Sc1ccc(Cl)cc1NC(=O)C(=O)N1CC[C@@H]2C[N@H+](C)C[C@@H]21 ZINC000645618422 565545477 /nfs/dbraw/zinc/54/54/77/565545477.db2.gz KRLYJIXOZCHQJH-DOMZBBRYSA-N 1 0 381.929 2.942 20 0 GFADRO C[N@@H+]1CCCN(C(=O)Nc2ccc(I)cc2F)CC1 ZINC000597023787 565548204 /nfs/dbraw/zinc/54/82/04/565548204.db2.gz BZOYQUBLPBXADS-UHFFFAOYSA-N 1 0 377.201 2.600 20 0 GFADRO COc1cc(NC(=O)N2C[C@H](SC)[C@@H]([NH+](C)C)C2)ccc1OC(F)F ZINC000597114596 565551996 /nfs/dbraw/zinc/55/19/96/565551996.db2.gz ZSEPTIJPWAVAJF-FZMZJTMJSA-N 1 0 375.441 2.806 20 0 GFADRO Cc1nc(C)c(Br)c(NC[C@@H](CO)Cc2ccncc2Cl)n1 ZINC000624360311 565552077 /nfs/dbraw/zinc/55/20/77/565552077.db2.gz DVNWTBPVPUPZCR-NSHDSACASA-N 1 0 385.693 2.589 20 0 GFADRO Cc1cc(Br)c(F)cc1S(=O)(=O)N1CC2CCC1(C[NH3+])CC2 ZINC000624375533 565553546 /nfs/dbraw/zinc/55/35/46/565553546.db2.gz RXVWJIQZHLZMDZ-UHFFFAOYSA-N 1 0 391.306 2.789 20 0 GFADRO Cc1cc(Br)c(F)cc1S(=O)(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000624363914 565553715 /nfs/dbraw/zinc/55/37/15/565553715.db2.gz XVTMWGWXMDTBTK-CQSZACIVSA-N 1 0 379.295 2.565 20 0 GFADRO Cc1nc(NC(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)ccc1Br ZINC000666722594 565553760 /nfs/dbraw/zinc/55/37/60/565553760.db2.gz VNXVHZCSABTFLO-CYBMUJFWSA-N 1 0 383.290 2.527 20 0 GFADRO [NH3+]C[C@@H]1CN(S(=O)(=O)C[C@@H]2CCCCC2(F)F)CC[C@H]1C(F)(F)F ZINC000624391843 565554943 /nfs/dbraw/zinc/55/49/43/565554943.db2.gz FDWHZOUDCMRXKJ-GRYCIOLGSA-N 1 0 378.407 2.601 20 0 GFADRO C[C@@H]1CC[C@@H](NS(=O)(=O)Cc2ccc(Br)cc2Cl)C[NH2+]1 ZINC000624404659 565555798 /nfs/dbraw/zinc/55/57/98/565555798.db2.gz VRMCVSJNZCWDDA-BXKDBHETSA-N 1 0 381.723 2.662 20 0 GFADRO [NH3+]C[C@@H]1CN(S(=O)(=O)Cc2cc(Cl)ccc2F)CC[C@H]1C(F)(F)F ZINC000624392448 565555996 /nfs/dbraw/zinc/55/59/96/565555996.db2.gz RABQIBWDSKBCFE-ZYHUDNBSSA-N 1 0 388.814 2.768 20 0 GFADRO CCOC(=O)[C@@]1(C)CCC[C@@H]1[NH2+]Cc1ncc(I)s1 ZINC000597243129 565556669 /nfs/dbraw/zinc/55/66/69/565556669.db2.gz YSXIDZDIBGJAHB-ZANVPECISA-N 1 0 394.278 2.959 20 0 GFADRO COC(=O)c1ccc(C[NH2+]C[C@H]2CC(=O)N(C(C)(C)C)C2)c(Br)c1 ZINC000597225636 565557013 /nfs/dbraw/zinc/55/70/13/565557013.db2.gz FWTSUAUKLPGILQ-GFCCVEGCSA-N 1 0 397.313 2.972 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)NC[C@H](n1cccn1)C(F)(F)F)c1cccs1 ZINC000624487337 565559289 /nfs/dbraw/zinc/55/92/89/565559289.db2.gz HDYWXALBXACYBL-AAEUAGOBSA-N 1 0 375.420 2.650 20 0 GFADRO CN(CCC[NH+](C)C)CCNC(=O)Nc1cc(F)cc(Br)c1F ZINC000666919662 565562379 /nfs/dbraw/zinc/56/23/79/565562379.db2.gz APWVHXXAUJFSEH-UHFFFAOYSA-N 1 0 393.276 2.732 20 0 GFADRO COc1ccc(C(=O)N[C@@H]2CCC[C@H]2[NH+](C)C)cc1I ZINC000597532267 565562581 /nfs/dbraw/zinc/56/25/81/565562581.db2.gz HWVCFZBJVIAWGO-CHWSQXEVSA-N 1 0 388.249 2.512 20 0 GFADRO C[C@H](NC(=O)N(C)CC1C[NH+](C)C1)c1cc(F)c(Br)cc1F ZINC000624547996 565563716 /nfs/dbraw/zinc/56/37/16/565563716.db2.gz CBRLWGRQMCAEKK-VIFPVBQESA-N 1 0 376.245 2.991 20 0 GFADRO COc1ncc(Br)cc1CNC(=O)N1C[C@H]([NH+]2CCCC2)C[C@H]1C ZINC000624631557 565566730 /nfs/dbraw/zinc/56/67/30/565566730.db2.gz JOBYATGUKUHJFQ-IUODEOHRSA-N 1 0 397.317 2.621 20 0 GFADRO C[NH+]1CCC2(CC1)CN(S(=O)(=O)c1ccc(Cl)c(F)c1Cl)CCO2 ZINC000645856457 565568289 /nfs/dbraw/zinc/56/82/89/565568289.db2.gz FFOCWMDDMBFZLM-UHFFFAOYSA-N 1 0 397.299 2.618 20 0 GFADRO C[NH+]1CCC2(CC1)CN(S(=O)(=O)Cc1ccc(Cl)c(Cl)c1)CCO2 ZINC000645856320 565568755 /nfs/dbraw/zinc/56/87/55/565568755.db2.gz YCUGLHBCHCQZMZ-UHFFFAOYSA-N 1 0 393.336 2.620 20 0 GFADRO C[C@@H]1C[C@H](c2ccc(Br)cc2)CN1C(=O)NC[C@H]1COCCN1C ZINC000624733615 565572940 /nfs/dbraw/zinc/57/29/40/565572940.db2.gz TTYUHBMRGMNIKP-KMFMINBZSA-N 1 0 396.329 2.667 20 0 GFADRO Cc1ncc(Br)cc1NC(=O)N[C@@H](C)CN(C)CCC[NH+](C)C ZINC000667189082 565575699 /nfs/dbraw/zinc/57/56/99/565575699.db2.gz AUAPCVWPGNJAJT-LBPRGKRZSA-N 1 0 386.338 2.546 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)c2ccc(I)cn2)C1 ZINC000597859908 565578766 /nfs/dbraw/zinc/57/87/66/565578766.db2.gz HUAVMQKVYBVSIF-NSHDSACASA-N 1 0 387.265 2.536 20 0 GFADRO Cc1cc(Br)c(F)cc1S(=O)(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000624854411 565579682 /nfs/dbraw/zinc/57/96/82/565579682.db2.gz YSQMSQCQWIIMLB-LLVKDONJSA-N 1 0 391.306 2.659 20 0 GFADRO C[NH+]1CCC(C(=O)NCc2cc(Cl)ccc2I)CC1 ZINC000597899356 565580323 /nfs/dbraw/zinc/58/03/23/565580323.db2.gz ZQWRHMIUQXEJGD-UHFFFAOYSA-N 1 0 392.668 2.903 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000646010431 565582599 /nfs/dbraw/zinc/58/25/99/565582599.db2.gz MXTHCFBLALECDL-APHBMKBZSA-N 1 0 384.307 2.945 20 0 GFADRO Cn1c(CN2CCOC3(CC[NH+](C)CC3)C2)nc2ccc(Br)cc21 ZINC000646106185 565586303 /nfs/dbraw/zinc/58/63/03/565586303.db2.gz RQDZZLMYTQVPJQ-UHFFFAOYSA-N 1 0 393.329 2.632 20 0 GFADRO C[NH+]1CCC2(CC1)CN(Cc1nc3cc(Br)ccc3[nH]1)CCO2 ZINC000646106177 565586485 /nfs/dbraw/zinc/58/64/85/565586485.db2.gz RIMCYSXRBKSLRE-UHFFFAOYSA-N 1 0 379.302 2.622 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)N1CN(CC[NH+](C)C)C(=O)[C@@H]1C ZINC000646227486 565591388 /nfs/dbraw/zinc/59/13/88/565591388.db2.gz YIABCFCUOZDGRM-ZDUSSCGKSA-N 1 0 397.317 2.650 20 0 GFADRO Cc1cc(Cl)cc(NC(=O)C(=O)N2CCC(C)([NH3+])CC2)c1Br ZINC000667515401 565592449 /nfs/dbraw/zinc/59/24/49/565592449.db2.gz VVTOVXJBNZFILM-UHFFFAOYSA-N 1 0 388.693 2.689 20 0 GFADRO CC[C@@H]1CN(C(=O)C(=O)Nc2cc(C)c(Br)c(C)c2)CC[C@H]1[NH3+] ZINC000667550148 565594741 /nfs/dbraw/zinc/59/47/41/565594741.db2.gz GQAZJFSFWIBNPF-TZMCWYRMSA-N 1 0 382.302 2.590 20 0 GFADRO CC[C@H]1CN(C(=O)C(=O)Nc2cc(C)c(Br)c(C)c2)CC[C@H]1[NH3+] ZINC000667550145 565594794 /nfs/dbraw/zinc/59/47/94/565594794.db2.gz GQAZJFSFWIBNPF-GXTWGEPZSA-N 1 0 382.302 2.590 20 0 GFADRO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)C(=O)Nc1cc(Cl)ccc1SC(C)C ZINC000667585563 565595487 /nfs/dbraw/zinc/59/54/87/565595487.db2.gz LSTYOZLSWCVPFJ-STQMWFEESA-N 1 0 387.908 2.937 20 0 GFADRO O=C(c1cc(Br)cc2[nH]c(=O)[nH]c21)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000667607615 565596526 /nfs/dbraw/zinc/59/65/26/565596526.db2.gz KYHGVACXWUQBPC-LBPRGKRZSA-N 1 0 393.285 2.731 20 0 GFADRO CN(C)C(=O)CC[NH+]1CCN(Cc2cc3cc(Br)ccc3o2)CC1 ZINC000667675370 565599518 /nfs/dbraw/zinc/59/95/18/565599518.db2.gz GMJKLCXCSFUIAQ-UHFFFAOYSA-N 1 0 394.313 2.791 20 0 GFADRO COc1cc(Cl)c(Cl)cc1NC(=O)N1CN(CC[NH+](C)C)C(=O)[C@@H]1C ZINC000646376144 565601320 /nfs/dbraw/zinc/60/13/20/565601320.db2.gz KRPAPXCYXAVKTG-JTQLQIEISA-N 1 0 389.283 2.586 20 0 GFADRO C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1ncc(Br)cc1Br ZINC000646476573 565604921 /nfs/dbraw/zinc/60/49/21/565604921.db2.gz UKSUTQZEJNGAIY-KWQFWETISA-N 1 0 391.107 2.771 20 0 GFADRO CCC[N@@H+]1CC[C@@H](NC(=O)c2c(F)cccc2I)C1 ZINC000598342796 565610571 /nfs/dbraw/zinc/61/05/71/565610571.db2.gz QGTVZFFEYFWVQX-SNVBAGLBSA-N 1 0 376.213 2.644 20 0 GFADRO Cn1ccnc1[C@H]1CC[N@@H+]([C@@H]2CCc3cc(Br)ccc3NC2=O)C1 ZINC000625265986 565614087 /nfs/dbraw/zinc/61/40/87/565614087.db2.gz KPQQBCDADBGDBH-XJKSGUPXSA-N 1 0 389.297 2.925 20 0 GFADRO CCCN(C(=O)C(=O)Nc1cccc(Br)c1C)[C@H]1CC[N@H+](C)C1 ZINC000646766910 565617440 /nfs/dbraw/zinc/61/74/40/565617440.db2.gz GMTPQWWFUJMFDU-ZDUSSCGKSA-N 1 0 382.302 2.639 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C(=O)N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000646762953 565618050 /nfs/dbraw/zinc/61/80/50/565618050.db2.gz LPGXANBJCJTSCO-BZNIZROVSA-N 1 0 377.286 2.753 20 0 GFADRO C[C@H](CNC(=O)c1cc(Br)cc2[nH]c(=O)[nH]c21)[NH+]1CCC(C)CC1 ZINC000646775818 565618118 /nfs/dbraw/zinc/61/81/18/565618118.db2.gz VDFHDPODJMDMNF-LLVKDONJSA-N 1 0 395.301 2.881 20 0 GFADRO CCCN(C(=O)C(=O)Nc1cccc(C)c1Br)[C@H]1CC[N@H+](C)C1 ZINC000646763585 565618148 /nfs/dbraw/zinc/61/81/48/565618148.db2.gz DDLQRPIVYISLSI-ZDUSSCGKSA-N 1 0 382.302 2.639 20 0 GFADRO CCCN(CC(F)(F)F)C(=O)C[NH2+][C@H](CO)c1ccc(Br)cc1 ZINC000625320435 565618466 /nfs/dbraw/zinc/61/84/66/565618466.db2.gz NBWPVPYNBUGXOY-CYBMUJFWSA-N 1 0 397.235 2.873 20 0 GFADRO COc1ccc(Br)cc1C1(C(=O)N2CC[C@@H]3C[N@H+](C)C[C@@H]32)CC1 ZINC000668005693 565618817 /nfs/dbraw/zinc/61/88/17/565618817.db2.gz JFRZCDVQEAGSBO-DOMZBBRYSA-N 1 0 379.298 2.652 20 0 GFADRO CC[NH2+]CC1CCN(C(=O)c2c3ccc(Br)cc3nn2C)CC1 ZINC000646808019 565620218 /nfs/dbraw/zinc/62/02/18/565620218.db2.gz XQMCRKFPOZRVGM-UHFFFAOYSA-N 1 0 379.302 2.798 20 0 GFADRO COCCc1ccc(OC[C@@H](C)[NH2+]Cc2ccc(S(C)(=O)=O)s2)cc1 ZINC000668042819 565624490 /nfs/dbraw/zinc/62/44/90/565624490.db2.gz BYOZEYIHOYGLIL-CQSZACIVSA-N 1 0 383.535 2.898 20 0 GFADRO Cc1[nH]c2ccc(Br)cc2c1CC(=O)N1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC000646915979 565625543 /nfs/dbraw/zinc/62/55/43/565625543.db2.gz YWYMZNKUROECGF-SJCJKPOMSA-N 1 0 376.298 2.944 20 0 GFADRO CC[N@H+](CC(=O)N1Cc2sc(C(=O)OC)c(Br)c2C1)C1CC1 ZINC000598545435 565625997 /nfs/dbraw/zinc/62/59/97/565625997.db2.gz SDQCRCMWXDPKGY-UHFFFAOYSA-N 1 0 387.299 2.624 20 0 GFADRO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)[C@@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)C1 ZINC000646927299 565627121 /nfs/dbraw/zinc/62/71/21/565627121.db2.gz IFIPUQQGCKABAO-GHJWDPDVSA-N 1 0 382.291 2.509 20 0 GFADRO C[N@@H+]1CCCC[C@@H](CNS(=O)(=O)c2ccc(OCC(F)(F)F)cc2)C1 ZINC000625419985 565628215 /nfs/dbraw/zinc/62/82/15/565628215.db2.gz BQOLVOMECZPHQY-ZDUSSCGKSA-N 1 0 380.432 2.638 20 0 GFADRO Cc1c(Br)cccc1S(=O)(=O)NC[C@@H]1CCCC[N@@H+](C)C1 ZINC000625420347 565628336 /nfs/dbraw/zinc/62/83/36/565628336.db2.gz DJYIKUDEBQQOJM-ZDUSSCGKSA-N 1 0 375.332 2.768 20 0 GFADRO C[N@@H+]1CCCC[C@@H](CNS(=O)(=O)c2cc(F)ccc2Br)C1 ZINC000625421684 565629686 /nfs/dbraw/zinc/62/96/86/565629686.db2.gz NZDLVVZPINSOLW-NSHDSACASA-N 1 0 379.295 2.598 20 0 GFADRO CC[C@@H]1CN(C(=O)c2cnn(-c3ccc(Br)cc3)c2)CC[C@@H]1[NH3+] ZINC000647010554 565632472 /nfs/dbraw/zinc/63/24/72/565632472.db2.gz SQGYPEDKNQYSSO-WBMJQRKESA-N 1 0 377.286 2.834 20 0 GFADRO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)[C@H](C)Cc1ccc(F)c(Br)c1 ZINC000647035932 565633556 /nfs/dbraw/zinc/63/35/56/565633556.db2.gz JJYMZJYPUWSGRG-WXHSDQCUSA-N 1 0 375.257 2.925 20 0 GFADRO COc1ccc(Br)cc1C(=O)CCC(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000647056004 565634253 /nfs/dbraw/zinc/63/42/53/565634253.db2.gz NSXWKJVZALRNKA-MRXNPFEDSA-N 1 0 395.297 2.679 20 0 GFADRO O=C(N[C@@H]1CC12CC[NH2+]CC2)[C@H](c1ccc(Br)cc1)N1CCCC1 ZINC000647056165 565634328 /nfs/dbraw/zinc/63/43/28/565634328.db2.gz UZRCIRAEJFKYCW-SJORKVTESA-N 1 0 392.341 2.844 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)C2(c3ccc(Br)cc3)CC2)CC12CCOCC2 ZINC000647079909 565635515 /nfs/dbraw/zinc/63/55/15/565635515.db2.gz NQEKRZNKDWPTNY-OAHLLOKOSA-N 1 0 393.325 2.695 20 0 GFADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)c1c(Cl)cccc1Br ZINC000668262230 565636221 /nfs/dbraw/zinc/63/62/21/565636221.db2.gz KJLCEGNACQMHNS-NSHDSACASA-N 1 0 375.694 2.943 20 0 GFADRO CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCO[C@H]2c2cncc(Br)c2)C1 ZINC000668331261 565640831 /nfs/dbraw/zinc/64/08/31/565640831.db2.gz JLUMQTIVUIYUTM-XHSDSOJGSA-N 1 0 382.302 2.522 20 0 GFADRO CN(C)[C@H](C[NH2+]Cc1ccc(S(N)(=O)=O)cc1F)c1ccccc1Cl ZINC000647167788 565643260 /nfs/dbraw/zinc/64/32/60/565643260.db2.gz TXFORUPDYKEVKP-QGZVFWFLSA-N 1 0 385.892 2.519 20 0 GFADRO O[C@@H](C[NH2+]Cc1cc(OC(F)F)ccc1Br)C1CCOCC1 ZINC000647184942 565644003 /nfs/dbraw/zinc/64/40/03/565644003.db2.gz JJSWTMAYNPPDFA-AWEZNQCLSA-N 1 0 380.229 2.928 20 0 GFADRO CO[C@@H](c1ccc(Cl)cc1)[C@H](C)[NH2+]Cc1ccc(S(N)(=O)=O)cc1F ZINC000647184723 565644328 /nfs/dbraw/zinc/64/43/28/565644328.db2.gz ZSBQOFMOHJTCHD-APPDUMDISA-N 1 0 386.876 2.992 20 0 GFADRO C[C@@H]1C[C@@H]([NH2+]CC(C)(C)S(=O)(=O)c2ccc(Br)cc2)CO1 ZINC000647184599 565644877 /nfs/dbraw/zinc/64/48/77/565644877.db2.gz RIQYCDHJOAKTJE-DGCLKSJQSA-N 1 0 376.316 2.768 20 0 GFADRO CN(C1CC[NH2+]CC1)S(=O)(=O)Cc1ccc(Br)cc1Cl ZINC000647194911 565645942 /nfs/dbraw/zinc/64/59/42/565645942.db2.gz RJHAQJDPUUWWLE-UHFFFAOYSA-N 1 0 381.723 2.616 20 0 GFADRO CC(C)Cn1nccc1C[NH2+]C[C@H](O)COc1ccccc1Br ZINC000647193343 565646396 /nfs/dbraw/zinc/64/63/96/565646396.db2.gz VRLOXJWMHBVOJO-HNNXBMFYSA-N 1 0 382.302 2.831 20 0 GFADRO CC(C)C[C@H](C[NH3+])NS(=O)(=O)Cc1ccc(Br)cc1Cl ZINC000647221938 565647077 /nfs/dbraw/zinc/64/70/77/565647077.db2.gz DAIGXJMYDVVGRY-GFCCVEGCSA-N 1 0 383.739 2.895 20 0 GFADRO O=S(=O)(c1ccc(C(F)(F)F)c(F)c1)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647238894 565648250 /nfs/dbraw/zinc/64/82/50/565648250.db2.gz XRYVTHNLVCJALX-XHDPSFHLSA-N 1 0 380.407 2.997 20 0 GFADRO COc1cc(OC)c(S(=O)(=O)N2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc1Cl ZINC000647238302 565648324 /nfs/dbraw/zinc/64/83/24/565648324.db2.gz JQELNTYZMMEJCT-GXTWGEPZSA-N 1 0 388.917 2.510 20 0 GFADRO O=S(=O)(c1ccc(C(F)(F)F)cc1F)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647238079 565648587 /nfs/dbraw/zinc/64/85/87/565648587.db2.gz DLBPRKRMPVKRBS-SMDDNHRTSA-N 1 0 380.407 2.997 20 0 GFADRO CC1(C)Cc2cc(CN3C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C3)ccc2O1 ZINC000668469863 565648897 /nfs/dbraw/zinc/64/88/97/565648897.db2.gz MKYHWWPHBIWVOV-ZFWWWQNUSA-N 1 0 377.428 2.807 20 0 GFADRO O=S(=O)(c1ccc(OC(F)F)c(F)c1)N1CCC2(CC[NH2+]CC2)CC1 ZINC000647261988 565649831 /nfs/dbraw/zinc/64/98/31/565649831.db2.gz JUJMDIFMUSRSQZ-UHFFFAOYSA-N 1 0 378.416 2.581 20 0 GFADRO [NH3+]CCN(Cc1ccccc1)S(=O)(=O)c1ccc(C(F)(F)F)cc1F ZINC000647267493 565650396 /nfs/dbraw/zinc/65/03/96/565650396.db2.gz HUQOCPADIZEGKB-UHFFFAOYSA-N 1 0 376.375 2.994 20 0 GFADRO CC[NH+](CC)CCS(=O)(=O)N1CCc2cc(F)cc(Br)c2C1 ZINC000625655450 565650938 /nfs/dbraw/zinc/65/09/38/565650938.db2.gz NMLHIVBKCXHSMH-UHFFFAOYSA-N 1 0 393.322 2.618 20 0 GFADRO CC[C@H]1CN(S(=O)(=O)c2cccc(Cl)c2Br)CC[C@H]1[NH3+] ZINC000647269700 565651848 /nfs/dbraw/zinc/65/18/48/565651848.db2.gz YJKXMRUIXRGXNU-GXSJLCMTSA-N 1 0 381.723 2.850 20 0 GFADRO CC[C@@H]1CN(S(=O)(=O)Cc2ccc(Cl)cc2Br)CC[C@H]1[NH3+] ZINC000647270434 565651976 /nfs/dbraw/zinc/65/19/76/565651976.db2.gz ZBSDVIODCYFESF-QMTHXVAHSA-N 1 0 395.750 2.992 20 0 GFADRO CC[C@@H]1CN(S(=O)(=O)c2cc(Cl)ccc2O[C@@H](C)COC)CC[C@H]1[NH3+] ZINC000647268385 565652078 /nfs/dbraw/zinc/65/20/78/565652078.db2.gz AWVDFCMWGJQHOK-GZBFAFLISA-N 1 0 390.933 2.502 20 0 GFADRO COC(=O)c1cnc([C@@H](C)[NH2+]CC2(OCCO)CCC(F)(F)CC2)s1 ZINC000599064281 565654875 /nfs/dbraw/zinc/65/48/75/565654875.db2.gz ACKJGIGIHGIXNQ-LLVKDONJSA-N 1 0 378.441 2.537 20 0 GFADRO O=S(=O)(N[C@H]1CC12CC[NH2+]CC2)c1csc(-c2ccc(Cl)cc2)n1 ZINC000647302988 565655080 /nfs/dbraw/zinc/65/50/80/565655080.db2.gz CXKBRFRMOGTDQO-ZDUSSCGKSA-N 1 0 383.926 2.884 20 0 GFADRO C[C@H]([NH2+]CC(=O)Nc1ccc(I)cc1)[C@@H]1CCCCO1 ZINC000599049345 565655317 /nfs/dbraw/zinc/65/53/17/565655317.db2.gz VLEJPYPQFHADDX-FZMZJTMJSA-N 1 0 388.249 2.777 20 0 GFADRO C[C@H](CCc1ccc(I)cc1)[NH2+]C[C@H](O)[C@H]1CCCO1 ZINC000599065441 565655685 /nfs/dbraw/zinc/65/56/85/565655685.db2.gz LKUXFNXTDHJMMS-UHOFOFEASA-N 1 0 389.277 2.742 20 0 GFADRO COc1cc(C[NH2+]C2CCN(c3cnccn3)CC2)c(Br)cc1O ZINC000647361590 565658835 /nfs/dbraw/zinc/65/88/35/565658835.db2.gz LMWFNDVQRZZMOX-UHFFFAOYSA-N 1 0 393.285 2.712 20 0 GFADRO CC[C@@H]1CN(c2ncnc3cccc(I)c32)C[C@H](C)[NH2+]1 ZINC000599179654 565660137 /nfs/dbraw/zinc/66/01/37/565660137.db2.gz PNYQGFFESIWMBD-WDEREUQCSA-N 1 0 382.249 2.811 20 0 GFADRO Cc1cc(C[NH2+][C@]2(CO)CCc3cc(Br)ccc3C2)nc(C)n1 ZINC000625795890 565660776 /nfs/dbraw/zinc/66/07/76/565660776.db2.gz AQSUSGSSDPNNIV-GOSISDBHSA-N 1 0 376.298 2.866 20 0 GFADRO CNC(=O)c1cccc(NC(=O)N[C@H]2CC[NH2+]C23CCCC3)c1Br ZINC000647476626 565661515 /nfs/dbraw/zinc/66/15/15/565661515.db2.gz QBJFDGZLXLBGBN-ZDUSSCGKSA-N 1 0 395.301 2.605 20 0 GFADRO CCCC[NH+]1CCC(NC(=O)C(=O)NCc2ccc(Cl)c(Cl)c2)CC1 ZINC000668713557 565662044 /nfs/dbraw/zinc/66/20/44/565662044.db2.gz TXMHWAZBGZZIHU-UHFFFAOYSA-N 1 0 386.323 2.990 20 0 GFADRO O[C@H](CCc1ccccc1)C[NH2+]C[C@@H](O)COc1ccc(Br)cc1 ZINC000647529246 565662533 /nfs/dbraw/zinc/66/25/33/565662533.db2.gz SYSGXXZCOADRRN-QZTJIDSGSA-N 1 0 394.309 2.772 20 0 GFADRO CCCOc1c(Br)cc(CN2CCO[C@H]([C@H](C)[NH3+])C2)cc1OC ZINC000647508679 565662590 /nfs/dbraw/zinc/66/25/90/565662590.db2.gz XPCKLHHYFAUHQK-LRDDRELGSA-N 1 0 387.318 2.795 20 0 GFADRO CCCN(C(=O)C(=O)N(C)Cc1cc(Cl)cc(Cl)c1)[C@H]1CC[N@H+](C)C1 ZINC000647568656 565663579 /nfs/dbraw/zinc/66/35/79/565663579.db2.gz QNVYPYKBLYGSQI-INIZCTEOSA-N 1 0 386.323 2.895 20 0 GFADRO [NH3+]CCCOCCNC(=O)Nc1cc(Br)cc(C(F)(F)F)c1 ZINC000625864918 565663588 /nfs/dbraw/zinc/66/35/88/565663588.db2.gz RQZGHOKYGOZUPD-UHFFFAOYSA-N 1 0 384.196 2.955 20 0 GFADRO OC[C@H](C[NH2+]C[C@@H](O)COc1ccccc1)Cc1ccc(Br)cc1 ZINC000647535194 565663798 /nfs/dbraw/zinc/66/37/98/565663798.db2.gz VGHKYKQTDIRADJ-FUHWJXTLSA-N 1 0 394.309 2.630 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)Nc2cncc(Br)c2)CC[C@@H]1C(F)(F)F ZINC000625872465 565663947 /nfs/dbraw/zinc/66/39/47/565663947.db2.gz DMVLQRNAEVRBCM-KCJUWKMLSA-N 1 0 381.196 2.835 20 0 GFADRO CC[C@@H]([NH2+]CCC(=O)Nc1cc(OC)c(Cl)cc1OC)[C@H](O)C(F)F ZINC000647536711 565664050 /nfs/dbraw/zinc/66/40/50/565664050.db2.gz YJOVPUQMTWYZQD-BMIGLBTASA-N 1 0 380.819 2.680 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)Nc2cc(Br)ccn2)CC[C@@H]1C(F)(F)F ZINC000625882343 565664270 /nfs/dbraw/zinc/66/42/70/565664270.db2.gz HRVZZRZTFKGHDN-SCZZXKLOSA-N 1 0 381.196 2.835 20 0 GFADRO Cc1cc(C(=O)N2CCC[C@](O)(C[NH+](C)C)C2)cc(Cl)c1Br ZINC000647625256 565667241 /nfs/dbraw/zinc/66/72/41/565667241.db2.gz ZIKUFJFZSSUTFU-INIZCTEOSA-N 1 0 389.721 2.940 20 0 GFADRO Cc1c(F)c(Br)ccc1C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000668803282 565667554 /nfs/dbraw/zinc/66/75/54/565667554.db2.gz KQMOTBJVZFLIHT-AWEZNQCLSA-N 1 0 398.320 2.749 20 0 GFADRO O=C(C[NH2+][C@@H]1CCO[C@H]1c1ccc(=O)[nH]c1)Nc1ccccc1Br ZINC000625990473 565667898 /nfs/dbraw/zinc/66/78/98/565667898.db2.gz KZJRSGYURVXPKT-PBHICJAKSA-N 1 0 392.253 2.608 20 0 GFADRO O=C(Cc1cc(F)ccc1Br)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000647666464 565670703 /nfs/dbraw/zinc/67/07/03/565670703.db2.gz ORKFGRMYZHXHBS-INIZCTEOSA-N 1 0 399.304 2.844 20 0 GFADRO O=C(N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1)C1(c2ccc(Br)cc2)CCC1 ZINC000647709567 565671928 /nfs/dbraw/zinc/67/19/28/565671928.db2.gz YTYUQXDRYNYESD-SJORKVTESA-N 1 0 393.325 2.538 20 0 GFADRO CCOC(=O)[C@H](C)[C@H](C)[NH2+][C@@H]1CCc2cc(Br)ccc2NC1=O ZINC000599361825 565672959 /nfs/dbraw/zinc/67/29/59/565672959.db2.gz DZZXLEXGKQARKJ-JRPNMDOOSA-N 1 0 383.286 2.880 20 0 GFADRO CCC(O)(CC)C[N@H+](C)C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000626111252 565676850 /nfs/dbraw/zinc/67/68/50/565676850.db2.gz IWPMGRLWMZRAGX-CQSZACIVSA-N 1 0 378.282 2.811 20 0 GFADRO CC(C)Cn1ccnc1CNC(=O)C(=O)NCc1ccc(Cl)c(Cl)c1 ZINC000669092356 565677071 /nfs/dbraw/zinc/67/70/71/565677071.db2.gz NOYQLXBCLGRHST-UHFFFAOYSA-N 1 0 383.279 2.779 20 0 GFADRO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)Cc1csc(NC(=O)c2cccs2)n1 ZINC000647832260 565679216 /nfs/dbraw/zinc/67/92/16/565679216.db2.gz XBTIRZOIVWCQQU-DGCLKSJQSA-N 1 0 378.523 2.550 20 0 GFADRO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)[C@@]12CCC(=O)N1c1cc(Cl)ccc1S2 ZINC000647833059 565679575 /nfs/dbraw/zinc/67/95/75/565679575.db2.gz JELWDLONIXURBD-YNKQFZHNSA-N 1 0 379.913 2.820 20 0 GFADRO C[C@H]([NH3+])[C@H]1CN([C@@H](C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)CCO1 ZINC000647861628 565680830 /nfs/dbraw/zinc/68/08/30/565680830.db2.gz DHKXWUZQKSRWJV-PKFCDNJMSA-N 1 0 379.810 2.734 20 0 GFADRO C[C@@H](CCNC(=O)C(=O)NCc1ccc(Cl)c(Cl)c1)[NH+]1CCCCC1 ZINC000669202357 565681418 /nfs/dbraw/zinc/68/14/18/565681418.db2.gz ATDOOPKEESDAFS-ZDUSSCGKSA-N 1 0 386.323 2.990 20 0 GFADRO COCCC[N@H+](C)CCNC(=O)c1cc(Br)cc(N2CCCC2)c1 ZINC000669187704 565681600 /nfs/dbraw/zinc/68/16/00/565681600.db2.gz OLQSCKTVROEROJ-UHFFFAOYSA-N 1 0 398.345 2.747 20 0 GFADRO CNS(=O)(=O)C[C@H]1CCC[N@H+](Cc2cc(-c3ccc(Cl)cc3)no2)C1 ZINC000626169212 565681842 /nfs/dbraw/zinc/68/18/42/565681842.db2.gz IDCWFGPKRNNRKG-ZDUSSCGKSA-N 1 0 383.901 2.756 20 0 GFADRO C[NH+](C)CCN(CC1CCCCC1)S(=O)(=O)c1c[nH]nc1C(F)(F)F ZINC000647898550 565682746 /nfs/dbraw/zinc/68/27/46/565682746.db2.gz FLDMASZAQAMRJM-UHFFFAOYSA-N 1 0 382.452 2.561 20 0 GFADRO C[C@H](NC(=O)N1CCC(C)([NH3+])CC1)c1cc2c(cc1Br)OCCO2 ZINC000669399063 565686653 /nfs/dbraw/zinc/68/66/53/565686653.db2.gz IVOGFHIFIJIZBY-NSHDSACASA-N 1 0 398.301 2.804 20 0 GFADRO CCOC(=O)C[C@H](O)C[N@@H+]1CC[C@@H](Sc2ccc(Br)cc2)C1 ZINC000599526185 565686740 /nfs/dbraw/zinc/68/67/40/565686740.db2.gz GRUYQUVUOSTGBS-DZGCQCFKSA-N 1 0 388.327 2.930 20 0 GFADRO C[NH+]1CCC(N(CCO)Cc2cc(OC(F)F)ccc2Br)CC1 ZINC000647998199 565687167 /nfs/dbraw/zinc/68/71/67/565687167.db2.gz OIBKFFJTVWKTQV-UHFFFAOYSA-N 1 0 393.272 2.939 20 0 GFADRO CC1(OCC(=O)NCC2(c3cc(C(F)(F)F)ccc3Cl)CC2)C[NH2+]C1 ZINC000648173494 565691954 /nfs/dbraw/zinc/69/19/54/565691954.db2.gz AZNAQFPJGNUNIP-UHFFFAOYSA-N 1 0 376.806 2.885 20 0 GFADRO O=C(NCCOCc1ccc(Cl)cc1Cl)N[C@H]1C[NH2+]CCC1(F)F ZINC000669552840 565692167 /nfs/dbraw/zinc/69/21/67/565692167.db2.gz WUNBIKGOHGGIKG-ZDUSSCGKSA-N 1 0 382.238 2.806 20 0 GFADRO CO[C@@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)NCC1CC[NH2+]CC1 ZINC000669551804 565692214 /nfs/dbraw/zinc/69/22/14/565692214.db2.gz SRUKOLZYPLYVRF-MLGOLLRUSA-N 1 0 384.318 2.824 20 0 GFADRO O=C(C(=O)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1)c1ccc(Br)cc1 ZINC000648143257 565692310 /nfs/dbraw/zinc/69/23/10/565692310.db2.gz MKLUUEHWKPUPMT-GJZGRUSLSA-N 1 0 379.298 2.870 20 0 GFADRO C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N[C@H]1CC[NH2+]C12CCCC2 ZINC000648208109 565693139 /nfs/dbraw/zinc/69/31/39/565693139.db2.gz WBZYPVKOYALNQN-RISCZKNCSA-N 1 0 384.307 2.903 20 0 GFADRO Cn1nc2cc(Br)ccc2c1C(=O)N[C@H]1CC[NH2+]C12CCCC2 ZINC000648211227 565693397 /nfs/dbraw/zinc/69/33/97/565693397.db2.gz LYVAUXNUVCVDCK-AWEZNQCLSA-N 1 0 377.286 2.740 20 0 GFADRO O=C(NC[C@H]1CCC[NH2+]1)N[C@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O ZINC000669568997 565693533 /nfs/dbraw/zinc/69/35/33/565693533.db2.gz PLLHMKNCWAJKKK-OCCSQVGLSA-N 1 0 385.295 2.540 20 0 GFADRO COC(=O)c1cccc(Br)c1CN1CC[C@H]2CC[C@@H](C1)[S@@]2=O ZINC000599636429 565694727 /nfs/dbraw/zinc/69/47/27/565694727.db2.gz KMUZXEXNJXCTEJ-HIMNYSJASA-N 1 0 386.311 2.721 20 0 GFADRO Cc1sc(Br)c(C(=O)NCCCN2CCC[N@@H+](C)CC2)c1C ZINC000669604675 565695547 /nfs/dbraw/zinc/69/55/47/565695547.db2.gz MQLOXBRLIQSTQU-UHFFFAOYSA-N 1 0 388.375 2.885 20 0 GFADRO Cn1nc2cc(Br)ccc2c1C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000648244634 565696495 /nfs/dbraw/zinc/69/64/95/565696495.db2.gz SEEDKOKRULDJFU-ZFWWWQNUSA-N 1 0 377.286 2.692 20 0 GFADRO Cc1cc(Br)c(Cl)cc1NC(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000626611868 565703480 /nfs/dbraw/zinc/70/34/80/565703480.db2.gz KGPKEYJMKLYJRC-JTQLQIEISA-N 1 0 376.682 2.599 20 0 GFADRO O=S(=O)(N[C@H]1CC[N@H+](CC2CC2)C1)c1c(Cl)cccc1Br ZINC000669835884 565703558 /nfs/dbraw/zinc/70/35/58/565703558.db2.gz HFZJGRREAPOBOA-NSHDSACASA-N 1 0 393.734 2.865 20 0 GFADRO Cn1nc2cc(Br)ccc2c1C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000648329259 565703560 /nfs/dbraw/zinc/70/35/60/565703560.db2.gz FZXKLGLSAVIGCW-BLLLJJGKSA-N 1 0 391.313 2.892 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)CC[C@@H]1C(F)(F)F ZINC000626861382 565714484 /nfs/dbraw/zinc/71/44/84/565714484.db2.gz NGHAUSDHDRZKOT-WPRPVWTQSA-N 1 0 398.212 2.918 20 0 GFADRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)Nc1cc(Cl)ccc1SCC(F)(F)F ZINC000626910475 565715123 /nfs/dbraw/zinc/71/51/23/565715123.db2.gz RXWXJSJRQIKBOV-WCBMZHEXSA-N 1 0 395.834 2.800 20 0 GFADRO CC(C)(CNC(=O)NC1(C[NH3+])CCOCC1)c1ccc(Br)cc1 ZINC000626941247 565715902 /nfs/dbraw/zinc/71/59/02/565715902.db2.gz HKQFVAAXWRMIMF-UHFFFAOYSA-N 1 0 384.318 2.534 20 0 GFADRO [NH3+]CCCOCCNC(=O)NCC1(c2ccc(Br)cc2)CCC1 ZINC000626944734 565715953 /nfs/dbraw/zinc/71/59/53/565715953.db2.gz AFFFNFLWUGFECG-UHFFFAOYSA-N 1 0 384.318 2.535 20 0 GFADRO CCOC(=O)COc1c(Br)cc(C)cc1C[NH2+]C[C@H]1C[C@@H](O)C1 ZINC000600208284 565717387 /nfs/dbraw/zinc/71/73/87/565717387.db2.gz PTPGZZLAFAWMLD-XBXGTLAGSA-N 1 0 386.286 2.560 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)NCc2nc(C(F)(F)F)cs2)CC[C@@H]1C(F)(F)F ZINC000626984084 565717989 /nfs/dbraw/zinc/71/79/89/565717989.db2.gz FNTOYHDJFVXWKU-YUMQZZPRSA-N 1 0 390.353 2.831 20 0 GFADRO O=C(NC[C@H]1COCC[NH2+]1)NCC1(c2ccc(Br)cc2)CCCC1 ZINC000626983251 565718017 /nfs/dbraw/zinc/71/80/17/565718017.db2.gz HIQYSYMTRSSMQV-INIZCTEOSA-N 1 0 396.329 2.549 20 0 GFADRO [NH3+]CCCOCCNC(=O)NCc1ccc(Br)cc1C(F)(F)F ZINC000627007370 565718671 /nfs/dbraw/zinc/71/86/71/565718671.db2.gz XJOYUOCVDXZKPP-UHFFFAOYSA-N 1 0 398.223 2.633 20 0 GFADRO COc1cc(Br)ccc1CCCNC(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000627012579 565719236 /nfs/dbraw/zinc/71/92/36/565719236.db2.gz BPUKGKRCAVEUSU-SWLSCSKDSA-N 1 0 384.318 2.830 20 0 GFADRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O ZINC000627018925 565719651 /nfs/dbraw/zinc/71/96/51/565719651.db2.gz KFACWFLXZYYKFG-GDLCADMTSA-N 1 0 385.295 2.538 20 0 GFADRO C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)N[C@H]1CCOc3c(Br)cccc31)C2 ZINC000627030705 565720955 /nfs/dbraw/zinc/72/09/55/565720955.db2.gz WFTKMDOPWIFOHC-JCGIZDLHSA-N 1 0 394.313 2.914 20 0 GFADRO O=C(NC[C@H]1C[N@@H+]2CCN1CCC2)c1csc(-c2cccc(Cl)c2)n1 ZINC000670407825 565721186 /nfs/dbraw/zinc/72/11/86/565721186.db2.gz AJMUBAFTEYCCOY-HNNXBMFYSA-N 1 0 376.913 2.583 20 0 GFADRO O=C(CCCc1cc(Cl)sc1Cl)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000670406791 565721259 /nfs/dbraw/zinc/72/12/59/565721259.db2.gz CSRBZZUEGOMQPT-ZDUSSCGKSA-N 1 0 376.353 2.884 20 0 GFADRO Cc1cc(Br)ccc1[C@H]1CCCN1C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000627101438 565721756 /nfs/dbraw/zinc/72/17/56/565721756.db2.gz BGTNQBZPXCBXCL-NVXWUHKLSA-N 1 0 396.329 2.983 20 0 GFADRO [NH3+]CC1(NC(=O)NC(CCC(F)(F)F)CCC(F)(F)F)CCOCC1 ZINC000627117798 565722247 /nfs/dbraw/zinc/72/22/47/565722247.db2.gz XIDNVFHREPOLKT-UHFFFAOYSA-N 1 0 379.345 2.847 20 0 GFADRO C[C@H]1CCC[N@H+](CCNC(=O)c2c3ccc(Br)cc3nn2C)C1 ZINC000648735371 565724317 /nfs/dbraw/zinc/72/43/17/565724317.db2.gz MSOUDUZAWONKTQ-LBPRGKRZSA-N 1 0 379.302 2.798 20 0 GFADRO C[NH2+]CCOCCNC(=O)N1CCC(c2cccc(Br)c2)CC1 ZINC000627172668 565724905 /nfs/dbraw/zinc/72/49/05/565724905.db2.gz FNBFEWFRDVSRJT-UHFFFAOYSA-N 1 0 384.318 2.574 20 0 GFADRO O=C(c1ccc2cc(Br)ccc2c1)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000627260435 565728009 /nfs/dbraw/zinc/72/80/09/565728009.db2.gz IYJRCXJNTLIGHL-ZWKOTPCHSA-N 1 0 389.293 2.883 20 0 GFADRO O=C(c1cnc(-c2ccccc2Cl)s1)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000627257870 565728035 /nfs/dbraw/zinc/72/80/35/565728035.db2.gz PHHUVKQPSSSBGM-STQMWFEESA-N 1 0 377.897 2.745 20 0 GFADRO O=C(c1ccc2cc(Br)ccc2c1)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000627260432 565728723 /nfs/dbraw/zinc/72/87/23/565728723.db2.gz IYJRCXJNTLIGHL-MSOLQXFVSA-N 1 0 389.293 2.883 20 0 GFADRO O=C(c1cc(Br)cc2ccccc21)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000627258079 565729038 /nfs/dbraw/zinc/72/90/38/565729038.db2.gz UAHVYJBHCYICJN-HZPDHXFCSA-N 1 0 389.293 2.883 20 0 GFADRO C[C@@H](NC(=O)C(=O)N[C@H]1CC[NH2+]C12CCC2)c1cc(F)c(Cl)cc1Cl ZINC000627292033 565731509 /nfs/dbraw/zinc/73/15/09/565731509.db2.gz KFMGWCAZRSAMCT-OTYXRUKQSA-N 1 0 388.270 2.711 20 0 GFADRO O=C([C@H]1CCCN1Cc1ccc(Cl)cc1)N1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC000600479724 565731560 /nfs/dbraw/zinc/73/15/60/565731560.db2.gz KNJUKHMTPYIGDU-ASWYFOPWSA-N 1 0 380.941 2.816 20 0 GFADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)c1[nH]c2ccc(Br)cc2c1Cl ZINC000600477664 565731700 /nfs/dbraw/zinc/73/17/00/565731700.db2.gz ZFONKKUZNBSIHM-LLVKDONJSA-N 1 0 399.720 2.559 20 0 GFADRO Cn1ncc(Br)c1C(=O)Nc1ccc(OCCC[NH+](C)C)cc1 ZINC000648920388 565739930 /nfs/dbraw/zinc/73/99/30/565739930.db2.gz IGFBQWBRLNISJL-UHFFFAOYSA-N 1 0 381.274 2.765 20 0 GFADRO Cc1ccc(CC(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)c(Br)c1 ZINC000648936747 565740876 /nfs/dbraw/zinc/74/08/76/565740876.db2.gz IQKHJQZRQHUSNO-QGZVFWFLSA-N 1 0 394.357 2.538 20 0 GFADRO C[NH+]1CCN(c2cc(C(=O)N3CCc4sc(Cl)cc4C3)ccn2)CC1 ZINC000648951768 565741731 /nfs/dbraw/zinc/74/17/31/565741731.db2.gz UYSPAZOGYQVKKO-UHFFFAOYSA-N 1 0 376.913 2.747 20 0 GFADRO CCCN(C(=O)c1c(C)nc2ccc(Br)cn21)[C@H]1CC[N@H+](C)C1 ZINC000648995992 565744082 /nfs/dbraw/zinc/74/40/82/565744082.db2.gz KNMJSHADNQNIEG-AWEZNQCLSA-N 1 0 379.302 2.962 20 0 GFADRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)c1sc2cc(F)ccc2c1Cl ZINC000649080088 565746535 /nfs/dbraw/zinc/74/65/35/565746535.db2.gz QCVXULIOBBQLRO-SNVBAGLBSA-N 1 0 383.876 2.886 20 0 GFADRO CC[NH+](CC)[C@@H](CNC(=O)C(=O)NC[C@]1(C)CCCS1)c1ccsc1 ZINC000670969744 565748682 /nfs/dbraw/zinc/74/86/82/565748682.db2.gz BSMSJNJRYRPDEE-YJBOKZPZSA-N 1 0 383.583 2.649 20 0 GFADRO Cn1cc(Br)cc1C(=O)NC[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000649100208 565748728 /nfs/dbraw/zinc/74/87/28/565748728.db2.gz ARDLHAKAJIMJMS-ZBFHGGJFSA-N 1 0 376.298 2.863 20 0 GFADRO C[C@H]1CCC[N@H+](CCNC(=O)C(=O)NCCc2ccc(Cl)cc2Cl)C1 ZINC000670984517 565748789 /nfs/dbraw/zinc/74/87/89/565748789.db2.gz OGVGEAAZZRXHQF-ZDUSSCGKSA-N 1 0 386.323 2.500 20 0 GFADRO COc1cc(C(=O)N2CCC([N@@H+]3CCCOCC3)CC2)ccc1Br ZINC000627743029 565749206 /nfs/dbraw/zinc/74/92/06/565749206.db2.gz ZAZJEYFAFNAGGF-UHFFFAOYSA-N 1 0 397.313 2.785 20 0 GFADRO C[NH+]1CCC2(CC1)CN(C(=O)c1[nH]c3ccccc3c1Br)CCO2 ZINC000649134346 565750165 /nfs/dbraw/zinc/75/01/65/565750165.db2.gz XEURXEZLOKQYDT-UHFFFAOYSA-N 1 0 392.297 2.867 20 0 GFADRO O=C(NC[C@H]1CC[N@@H+]1C1CCCCC1)C(=O)Nc1ccc(Br)cc1 ZINC000627754719 565750773 /nfs/dbraw/zinc/75/07/73/565750773.db2.gz GPHPBHZBGWCRGT-MRXNPFEDSA-N 1 0 394.313 2.911 20 0 GFADRO Cc1cc(Br)c(Cl)cc1NC(=O)C(=O)NC[C@H]1CCC[N@H+]1C ZINC000627803328 565752304 /nfs/dbraw/zinc/75/23/04/565752304.db2.gz NMAMJOAVYYIRFF-SNVBAGLBSA-N 1 0 388.693 2.560 20 0 GFADRO COc1cc(CNC(=O)C2CC[NH+](C(C)C)CC2)c(Br)cc1O ZINC000649195598 565752674 /nfs/dbraw/zinc/75/26/74/565752674.db2.gz PJCXJFCXEVKBFF-UHFFFAOYSA-N 1 0 385.302 2.900 20 0 GFADRO Cc1ccc(NC(=O)C(=O)NC[C@H]2CCCC[N@@H+](C)C2)c(Br)c1 ZINC000627828617 565754511 /nfs/dbraw/zinc/75/45/11/565754511.db2.gz GGIGAJATRQMSBS-CYBMUJFWSA-N 1 0 382.302 2.544 20 0 GFADRO C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000600963928 565761555 /nfs/dbraw/zinc/76/15/55/565761555.db2.gz MPYDYRHNXBZDNT-RHSMWYFYSA-N 1 0 380.330 2.876 20 0 GFADRO C[C@H](NC(=O)C[NH+]1CCC(C2(O)CC2)CC1)c1ccc(Br)cc1 ZINC000649675024 565772627 /nfs/dbraw/zinc/77/26/27/565772627.db2.gz LHGRPXPOEQUTNR-ZDUSSCGKSA-N 1 0 381.314 2.863 20 0 GFADRO O=C(N1CCC([NH+]2CCOCC2)CC1)C1(c2cccc(Br)c2)CC1 ZINC000628127250 565776327 /nfs/dbraw/zinc/77/63/27/565776327.db2.gz ATVFJCWRGZJWTN-UHFFFAOYSA-N 1 0 393.325 2.804 20 0 GFADRO C[N@H+](Cc1cc(Cl)cc(Cl)c1OCCN1CCOCC1)CC(C)(C)O ZINC000628175825 565778107 /nfs/dbraw/zinc/77/81/07/565778107.db2.gz KZZXKKOLCOGSCB-UHFFFAOYSA-N 1 0 391.339 2.907 20 0 GFADRO Cc1cc(Br)cc(C)c1N1CCC[C@H](N2C[C@H]3C[NH2+]C[C@@H]3C2)C1=O ZINC000671678013 565778798 /nfs/dbraw/zinc/77/87/98/565778798.db2.gz AKIUIVZFEBGDGH-INMHGKMJSA-N 1 0 392.341 2.713 20 0 GFADRO Cc1cc(CN2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)ncc1Br ZINC000628186353 565778656 /nfs/dbraw/zinc/77/86/56/565778656.db2.gz HGPUJFDWFBECJN-QAPCUYQASA-N 1 0 381.362 2.610 20 0 GFADRO Brc1ccccc1CN1CCC([NH2+]CCCn2cncn2)CC1 ZINC000628213609 565780901 /nfs/dbraw/zinc/78/09/01/565780901.db2.gz QBKRQACJUIDYEW-UHFFFAOYSA-N 1 0 378.318 2.685 20 0 GFADRO O[C@H](COc1ccc(Cl)c(Cl)c1)C[N@@H+]1C[C@H](O)C[C@H]1[C@@H]1CCCOC1 ZINC000649832328 565781019 /nfs/dbraw/zinc/78/10/19/565781019.db2.gz BTAZFZMSEVPPTB-ZXTQRBJTSA-N 1 0 390.307 2.595 20 0 GFADRO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)c1nscc1Br ZINC000649893153 565785957 /nfs/dbraw/zinc/78/59/57/565785957.db2.gz JPXFHWMTCFXFRL-UHFFFAOYSA-N 1 0 381.299 2.947 20 0 GFADRO COCc1cc(C[NH2+][C@]2(CO)CCc3cc(Br)ccc3C2)no1 ZINC000628423955 565788222 /nfs/dbraw/zinc/78/82/22/565788222.db2.gz RIWOEEBUMSEVCV-QGZVFWFLSA-N 1 0 381.270 2.593 20 0 GFADRO COc1cc(Br)c(C[NH2+][C@@H]2CCO[C@H]2c2ccc(=O)[nH]c2)cc1O ZINC000628456177 565789448 /nfs/dbraw/zinc/78/94/48/565789448.db2.gz QJGHTUHQTFVROK-DYVFJYSZSA-N 1 0 395.253 2.884 20 0 GFADRO C[C@H]1C[C@@H]([NH3+])CN1C(=O)Nc1ccc(I)cc1Cl ZINC000601568807 565792225 /nfs/dbraw/zinc/79/22/25/565792225.db2.gz VKBHPGSOTWVRSQ-IONNQARKSA-N 1 0 379.629 2.898 20 0 GFADRO O=C(Nc1cc(F)c(I)c(F)c1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000601561917 565792437 /nfs/dbraw/zinc/79/24/37/565792437.db2.gz RMRKROTVCSCYRA-OCAPTIKFSA-N 1 0 393.175 2.538 20 0 GFADRO C[C@H](NC(=O)C(=O)N(C)Cc1ccc(Cl)c(Cl)c1)C1CC[NH+](C)CC1 ZINC000672009629 565794315 /nfs/dbraw/zinc/79/43/15/565794315.db2.gz BJRYYLNIOUYRJH-LBPRGKRZSA-N 1 0 386.323 2.798 20 0 GFADRO CC(C)[NH2+][C@@H]1CCCN(c2c(Br)cccc2S(C)(=O)=O)C1 ZINC000672200088 565798738 /nfs/dbraw/zinc/79/87/38/565798738.db2.gz BORRINVJCAZIIL-GFCCVEGCSA-N 1 0 375.332 2.819 20 0 GFADRO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]C[C@H](CO)c2ccc(Cl)cc2)cc1 ZINC000672619179 565814019 /nfs/dbraw/zinc/81/40/19/565814019.db2.gz JUFQNQBCRYDHIR-CZUORRHYSA-N 1 0 382.913 2.675 20 0 GFADRO C[N@@H+]1CC[C@H]2CCN(C(=O)c3cnc4ncc(Br)cc4c3)[C@H]2C1 ZINC000672939220 565822962 /nfs/dbraw/zinc/82/29/62/565822962.db2.gz PLTWNKGZKPHTNU-NHYWBVRUSA-N 1 0 375.270 2.559 20 0 GFADRO O=C(CCSc1ccnc2cc(Cl)ccc21)NCC[N@H+]1CC[C@@H](O)C1 ZINC000629173933 565827261 /nfs/dbraw/zinc/82/72/61/565827261.db2.gz UULUWKLOHFZTGV-CQSZACIVSA-N 1 0 379.913 2.553 20 0 GFADRO C[N@@H+]1CCCC[C@@H]1C(=O)NCc1c(Br)cncc1Br ZINC000650611129 565829257 /nfs/dbraw/zinc/82/92/57/565829257.db2.gz OODACTAHDDFYGW-GFCCVEGCSA-N 1 0 391.107 2.707 20 0 GFADRO CC[NH+]1CCN(CC(=O)N2C[C@H](c3ccc(Br)cc3)C[C@@H]2C)CC1 ZINC000629246361 565830538 /nfs/dbraw/zinc/83/05/38/565830538.db2.gz MEEAALDGUQMPMI-DOTOQJQBSA-N 1 0 394.357 2.791 20 0 GFADRO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCCN2Cc2cnc3ccc(Br)cn23)C1 ZINC000650723195 565834333 /nfs/dbraw/zinc/83/43/33/565834333.db2.gz ITLUKOGBVDFJRX-DJIMGWMZSA-N 1 0 393.329 2.958 20 0 GFADRO CSc1cc(C(=O)N2CC[C@H]([N@@H+]3CC[C@H](O)C3)C2)c(Cl)cc1Cl ZINC000673513984 565838982 /nfs/dbraw/zinc/83/89/82/565838982.db2.gz DTDMSAHLWSUNLK-QWRGUYRKSA-N 1 0 375.321 2.996 20 0 GFADRO O=C(N[C@H](CO)C[NH+]1CCCC1)c1ccc(Br)cc1C(F)(F)F ZINC000673531284 565839108 /nfs/dbraw/zinc/83/91/08/565839108.db2.gz LJKOHINLMYDTLP-NSHDSACASA-N 1 0 395.219 2.654 20 0 GFADRO C[S@@](=O)C1(C(=O)NCC2(c3cccc(Cl)c3)CCCC2)CC[NH2+]CC1 ZINC000602451433 565848717 /nfs/dbraw/zinc/84/87/17/565848717.db2.gz GSMPMLFWNIXETH-RUZDIDTESA-N 1 0 382.957 2.769 20 0 GFADRO CC(C)c1nc(S(=O)(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)c[nH]1 ZINC000673823066 565849035 /nfs/dbraw/zinc/84/90/35/565849035.db2.gz UOFKYKCDQGPEAD-BBRMVZONSA-N 1 0 382.555 2.956 20 0 GFADRO CC[NH+](CC)CCO[C@H]1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)C1 ZINC000673824681 565849529 /nfs/dbraw/zinc/84/95/29/565849529.db2.gz PIILPAGBALWOMY-ZDUSSCGKSA-N 1 0 378.897 2.601 20 0 GFADRO C[NH+](C)CCn1cc(NC(=O)NCCc2ccc(Br)s2)cn1 ZINC000673865766 565850166 /nfs/dbraw/zinc/85/01/66/565850166.db2.gz OPCQWNCVNDZESE-UHFFFAOYSA-N 1 0 386.319 2.633 20 0 GFADRO CN(CCc1ccc(Br)cc1)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000673868932 565851883 /nfs/dbraw/zinc/85/18/83/565851883.db2.gz HFHPWVAMFMFUFN-UHFFFAOYSA-N 1 0 394.317 2.914 20 0 GFADRO O=C1[C@@H]([NH2+][C@H]2CCc3cc(Br)ccc32)CCN1C1CCOCC1 ZINC000673893657 565852416 /nfs/dbraw/zinc/85/24/16/565852416.db2.gz LFLPYZKDTFILQF-IRXDYDNUSA-N 1 0 379.298 2.806 20 0 GFADRO O=C1C[C@@H]([C@H]2CCCC[N@H+]2Cc2ccc(I)s2)CN1 ZINC000602493894 565852916 /nfs/dbraw/zinc/85/29/16/565852916.db2.gz NAZSERJZENGTEX-ZYHUDNBSSA-N 1 0 390.290 2.843 20 0 GFADRO COC(=O)CC[C@H]([NH3+])C(=O)N1CCC[C@@H]1c1ccc(Br)cc1C ZINC000602555375 565855251 /nfs/dbraw/zinc/85/52/51/565855251.db2.gz MAJLKCQCRNXPPO-LSDHHAIUSA-N 1 0 383.286 2.702 20 0 GFADRO COC(=O)CC[C@@H]([NH3+])C(=O)N1CCC[C@H]1c1ccc(Br)cc1C ZINC000602555372 565855304 /nfs/dbraw/zinc/85/53/04/565855304.db2.gz MAJLKCQCRNXPPO-CABCVRRESA-N 1 0 383.286 2.702 20 0 GFADRO CSCC[C@@H](NC(=O)c1ccccc1Cl)C(=O)N[C@H]1CC[C@H]([NH3+])CC1 ZINC000602604361 565857491 /nfs/dbraw/zinc/85/74/91/565857491.db2.gz MDBSQDFCPJGGAG-XJKCOSOUSA-N 1 0 383.945 2.578 20 0 GFADRO C[NH+](C)CCn1ccc(C(=O)N[C@@H](CCO)c2cc(Cl)cc(Cl)c2)n1 ZINC000629600681 565862438 /nfs/dbraw/zinc/86/24/38/565862438.db2.gz RKYXRLFGVGKMSF-HNNXBMFYSA-N 1 0 385.295 2.605 20 0 GFADRO CC(C)(C[NH2+]C[C@@H](O)COc1cc(Cl)ccc1Cl)C(=O)N1CCCC1 ZINC000629603774 565862524 /nfs/dbraw/zinc/86/25/24/565862524.db2.gz SEKJQFPWBHDFJP-CQSZACIVSA-N 1 0 389.323 2.971 20 0 GFADRO OC1CCN(CC[NH2+][C@@H](c2ccc(Br)cc2)[C@@H]2CCCO2)CC1 ZINC000651465104 565864703 /nfs/dbraw/zinc/86/47/03/565864703.db2.gz KETGQKLCQADKOB-ROUUACIJSA-N 1 0 383.330 2.716 20 0 GFADRO CCOC(=O)[C@@]1(C[NH2+]Cc2cnc3ccc(Br)cn23)CCCOC1 ZINC000602742896 565866898 /nfs/dbraw/zinc/86/68/98/565866898.db2.gz UPCWPDVWWWPUHP-QGZVFWFLSA-N 1 0 396.285 2.546 20 0 GFADRO O=C([C@H]1CCn2cncc2C1)N1CCc2cc(F)cc(Br)c2C1 ZINC000629740954 565867697 /nfs/dbraw/zinc/86/76/97/565867697.db2.gz OHCSAFYNFYFSBO-LBPRGKRZSA-N 1 0 378.245 2.932 20 0 GFADRO COC1CC[NH+](CCNC(=O)c2cc3cc(Br)ccc3[nH]2)CC1 ZINC000674325380 565868491 /nfs/dbraw/zinc/86/84/91/565868491.db2.gz OAZATMDKIGMHDN-UHFFFAOYSA-N 1 0 380.286 2.771 20 0 GFADRO COC1CC[NH+](CCNC(=O)Nc2c(F)cc(Br)cc2F)CC1 ZINC000674316126 565869055 /nfs/dbraw/zinc/86/90/55/565869055.db2.gz BLHXHXHURWQYCD-UHFFFAOYSA-N 1 0 392.244 2.960 20 0 GFADRO COC(=O)CC[N@@H+](Cc1cccc(Br)c1)C[C@@H]1CCc2ncnn21 ZINC000602829377 565870536 /nfs/dbraw/zinc/87/05/36/565870536.db2.gz QYXLJYUUHFFPTC-HNNXBMFYSA-N 1 0 393.285 2.593 20 0 GFADRO COC(=O)c1coc(CN2CC[C@@H](Oc3cncc(Br)c3)C2)c1 ZINC000602880583 565873476 /nfs/dbraw/zinc/87/34/76/565873476.db2.gz HFAAERIFHRNVMZ-CYBMUJFWSA-N 1 0 381.226 2.877 20 0 GFADRO CCC(=O)N1CCC([NH2+]CC(=O)Nc2ccc(Br)cc2C)CC1 ZINC000674909999 565887225 /nfs/dbraw/zinc/88/72/25/565887225.db2.gz XZOZGUKAMXYXOE-UHFFFAOYSA-N 1 0 382.302 2.687 20 0 GFADRO CCOC(=O)c1nc(N2C[C@H](SC)[C@@H]([NH+](C)C)C2)ccc1Br ZINC000603330275 565897949 /nfs/dbraw/zinc/89/79/49/565897949.db2.gz OQDZKWBAUKKTNA-RYUDHWBXSA-N 1 0 388.331 2.503 20 0 GFADRO O=C(CCCc1cccc(Br)c1)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000675473455 565904696 /nfs/dbraw/zinc/90/46/96/565904696.db2.gz TUXWHMDWKAOPKS-KRWDZBQOSA-N 1 0 395.341 2.953 20 0 GFADRO C[NH+](C)C[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2F)c2ccccc2O1 ZINC000675472703 565904762 /nfs/dbraw/zinc/90/47/62/565904762.db2.gz RELXLEYQAHDVFP-CYBMUJFWSA-N 1 0 384.860 2.997 20 0 GFADRO COc1cc(S(=O)(=O)N(C)CC[NH+]2CCCCC2)ccc1Br ZINC000651926160 565905396 /nfs/dbraw/zinc/90/53/96/565905396.db2.gz HYVJAEZNHOKGRU-UHFFFAOYSA-N 1 0 391.331 2.564 20 0 GFADRO COC1CC[NH+](CCNC(=O)CCCc2cccc(Br)c2)CC1 ZINC000675478514 565905568 /nfs/dbraw/zinc/90/55/68/565905568.db2.gz FYAJJFZCALIACP-UHFFFAOYSA-N 1 0 383.330 2.999 20 0 GFADRO CN(C)c1ncc(Br)cc1C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000603446177 565907083 /nfs/dbraw/zinc/90/70/83/565907083.db2.gz VYGIWJSLJZCNMU-UHFFFAOYSA-N 1 0 387.241 2.743 20 0 GFADRO C[C@H](NC(=O)NCCOc1ncc(Cl)cc1Cl)C1CC[NH+](C)CC1 ZINC000675554507 565909200 /nfs/dbraw/zinc/90/92/00/565909200.db2.gz MQTSRRULKMVCIU-NSHDSACASA-N 1 0 375.300 2.797 20 0 GFADRO CCOc1cc(C[NH2+]C[C@H]2CC(=O)N(CC)C2)cc(Br)c1OC ZINC000652000808 565909759 /nfs/dbraw/zinc/90/97/59/565909759.db2.gz FAYAJUNYXUKRAU-CYBMUJFWSA-N 1 0 385.302 2.814 20 0 GFADRO CCN1C[C@H](C[NH2+]Cc2cc(Br)c3c(c2)OCCCO3)CC1=O ZINC000652000955 565909838 /nfs/dbraw/zinc/90/98/38/565909838.db2.gz JJRWAVURSOGDOU-ZDUSSCGKSA-N 1 0 383.286 2.568 20 0 GFADRO C[C@@H]1C[C@H]([NH2+]Cc2ccc(Br)c(F)c2)C(=O)N1c1cnn(C)c1 ZINC000675641415 565911678 /nfs/dbraw/zinc/91/16/78/565911678.db2.gz JCXYKGAEHHRUMJ-BMIGLBTASA-N 1 0 381.249 2.605 20 0 GFADRO CCN(CC)[C@H](C[NH2+]C1CCN(S(C)(=O)=O)CC1)c1ccccc1Cl ZINC000675726220 565913890 /nfs/dbraw/zinc/91/38/90/565913890.db2.gz MMRCTSMBEFKHFK-GOSISDBHSA-N 1 0 387.977 2.737 20 0 GFADRO CN(CCC[NH2+][C@H]1CCCOc2c(Br)cccc21)S(C)(=O)=O ZINC000675747278 565913995 /nfs/dbraw/zinc/91/39/95/565913995.db2.gz XMLCQXYJUYLWOL-AWEZNQCLSA-N 1 0 391.331 2.534 20 0 GFADRO C[N@@H+]1CCCN(CCCNC(=O)CCOc2cccc(Cl)c2Cl)CC1 ZINC000603898668 565917737 /nfs/dbraw/zinc/91/77/37/565917737.db2.gz OIWXUMIKHLXLAQ-UHFFFAOYSA-N 1 0 388.339 2.906 20 0 GFADRO C[C@H](CNC(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1)Oc1ccccc1Br ZINC000652164344 565918860 /nfs/dbraw/zinc/91/88/60/565918860.db2.gz LIJGHTANFSYLQZ-GLJUWKHASA-N 1 0 396.329 2.987 20 0 GFADRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)[C@H]1[C@@H]2c3ccc(Br)cc3C[C@H]12 ZINC000630797240 565920214 /nfs/dbraw/zinc/92/02/14/565920214.db2.gz RSZKVWYODOKBJX-ZUHTVMMCSA-N 1 0 375.310 2.935 20 0 GFADRO CN(C(=O)NCCC1CC[NH2+]CC1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000652321262 565922051 /nfs/dbraw/zinc/92/20/51/565922051.db2.gz ZXEMXSRTZRPZRQ-IAGOWNOFSA-N 1 0 386.323 2.983 20 0 GFADRO Cc1cc(Br)sc1S(=O)(=O)N1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000652372402 565924240 /nfs/dbraw/zinc/92/42/40/565924240.db2.gz JNPLOZKNQFMKDQ-LSJOCFKGSA-N 1 0 381.361 2.813 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)N1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000604203400 565925929 /nfs/dbraw/zinc/92/59/29/565925929.db2.gz FGJDBWIAKXRQMT-WBVHZDCISA-N 1 0 394.313 2.769 20 0 GFADRO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(C(=O)c2cc(Cl)cc(Cl)c2F)CC1 ZINC000630892270 565926338 /nfs/dbraw/zinc/92/63/38/565926338.db2.gz UBIOWCRPBPYXKE-CQSZACIVSA-N 1 0 388.270 2.687 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2S(=O)(=O)Cc2ccc(F)c(Cl)c2)C1 ZINC000652383850 565927655 /nfs/dbraw/zinc/92/76/55/565927655.db2.gz INHSRBPWGCKMIH-XYPHTWIQSA-N 1 0 390.908 2.670 20 0 GFADRO Cc1c(S(=O)(=O)NCCC2CC[NH2+]CC2)cnn1-c1ccc(Cl)cc1 ZINC000652385149 565927778 /nfs/dbraw/zinc/92/77/78/565927778.db2.gz IGFUXMULCJFHLX-UHFFFAOYSA-N 1 0 382.917 2.502 20 0 GFADRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)COc3ccc(Cl)cc3Cl)CC2)C1 ZINC000604350990 565928036 /nfs/dbraw/zinc/92/80/36/565928036.db2.gz YWROTFXDOGRAIR-OAHLLOKOSA-N 1 0 386.323 2.611 20 0 GFADRO CCOCCC[N@@H+]1CC[C@@H](NS(=O)(=O)c2cccc(Cl)c2F)[C@@H](C)C1 ZINC000604411267 565929218 /nfs/dbraw/zinc/92/92/18/565929218.db2.gz LQODAFQKZPILQV-DZGCQCFKSA-N 1 0 392.924 2.894 20 0 GFADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)NCc3cccc(Cl)c3Cl)CC2)C1 ZINC000604647060 565934040 /nfs/dbraw/zinc/93/40/40/565934040.db2.gz BUKPQSARMZULRL-HNNXBMFYSA-N 1 0 385.339 2.915 20 0 GFADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)NCc3c(Cl)cccc3Cl)CC2)C1 ZINC000604647265 565934056 /nfs/dbraw/zinc/93/40/56/565934056.db2.gz MISBMKQLCBDVNF-AWEZNQCLSA-N 1 0 385.339 2.915 20 0 GFADRO CCCSc1nsc(NC(=O)N2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)n1 ZINC000652583628 565934873 /nfs/dbraw/zinc/93/48/73/565934873.db2.gz KBAJPENKDFTGSF-RWMBFGLXSA-N 1 0 385.559 2.790 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)C(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652628730 565936048 /nfs/dbraw/zinc/93/60/48/565936048.db2.gz LENZPOGIHGTHOI-UGSOOPFHSA-N 1 0 394.313 2.537 20 0 GFADRO CCOc1ccc(Br)cc1S(=O)(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000604766691 565936110 /nfs/dbraw/zinc/93/61/10/565936110.db2.gz ZFYFULCACITFOL-CYBMUJFWSA-N 1 0 391.331 2.563 20 0 GFADRO Cc1ccc([C@H](C[NH2+]Cc2ccc(Cl)c(S(N)(=O)=O)c2)N(C)C)cc1 ZINC000631055165 565937248 /nfs/dbraw/zinc/93/72/48/565937248.db2.gz JGJIIWVVDMCYBY-KRWDZBQOSA-N 1 0 381.929 2.688 20 0 GFADRO NS(=O)(=O)c1cc(CNC2CC[NH+](C3CCCCC3)CC2)ccc1Cl ZINC000631082010 565940390 /nfs/dbraw/zinc/94/03/90/565940390.db2.gz FXIVYDAGNNMCGD-UHFFFAOYSA-N 1 0 385.961 2.874 20 0 GFADRO Brc1ccccc1CC1([NH2+]Cc2cn(C[C@H]3CCOC3)nn2)CC1 ZINC000631142888 565944232 /nfs/dbraw/zinc/94/42/32/565944232.db2.gz PWBLHEYDSILINP-CQSZACIVSA-N 1 0 391.313 2.942 20 0 GFADRO C[C@H]([NH2+]Cc1ccc(Cl)c(S(N)(=O)=O)c1)[C@@H]1OCCc2sccc21 ZINC000631141607 565944582 /nfs/dbraw/zinc/94/45/82/565944582.db2.gz GGJCOCPGHDKONY-QFYYESIMSA-N 1 0 386.926 2.841 20 0 GFADRO C[C@H]([C@@H](C)C(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1)S(C)(=O)=O ZINC000652870677 565944682 /nfs/dbraw/zinc/94/46/82/565944682.db2.gz GJTWDXCOOWGQDB-HUUCEWRRSA-N 1 0 384.567 2.882 20 0 GFADRO Cc1ccc(C[C@H](CO)C[NH2+]Cc2ncnn2C(C)C)cc1Br ZINC000631152031 565945364 /nfs/dbraw/zinc/94/53/64/565945364.db2.gz FHNZWEUYWMQTID-HNNXBMFYSA-N 1 0 381.318 2.871 20 0 GFADRO COc1cc(C[NH2+]CCC(C)(C)S(C)(=O)=O)c(F)cc1Br ZINC000631163823 565945558 /nfs/dbraw/zinc/94/55/58/565945558.db2.gz PPFHXKCPRMVQTO-UHFFFAOYSA-N 1 0 382.295 2.900 20 0 GFADRO COc1ccc(Br)cc1C[C@@H](CO)C[NH2+]Cc1ncnn1C(C)C ZINC000631153727 565945569 /nfs/dbraw/zinc/94/55/69/565945569.db2.gz GXQILQJDMUOFCZ-CYBMUJFWSA-N 1 0 397.317 2.571 20 0 GFADRO NS(=O)(=O)NC[C@@H]1CCC[N@H+](CCSc2cc(Cl)ccc2Cl)C1 ZINC000605150423 565946466 /nfs/dbraw/zinc/94/64/66/565946466.db2.gz XSLWVNHBXOEZLW-NSHDSACASA-N 1 0 398.381 2.591 20 0 GFADRO COC[C@@](C)(CO)[NH2+]Cc1cc(Br)cc(Br)c1OC ZINC000631205024 565948514 /nfs/dbraw/zinc/94/85/14/565948514.db2.gz VVDFLMXKGJUYBZ-CYBMUJFWSA-N 1 0 397.107 2.707 20 0 GFADRO C[C@H]1SCC[N@H+](CC(=O)N2CCN(Cc3cccc(Cl)c3)CC2)[C@@H]1C ZINC000605335717 565949851 /nfs/dbraw/zinc/94/98/51/565949851.db2.gz QQEDUQKCFZPUPE-HZPDHXFCSA-N 1 0 381.973 2.810 20 0 GFADRO CCOc1cc(C[NH2+][C@@H]2COCC[C@H]2O)cc(Br)c1OC(F)F ZINC000631258344 565951144 /nfs/dbraw/zinc/95/11/44/565951144.db2.gz SBQVWNPFHAUBPB-VXGBXAGGSA-N 1 0 396.228 2.689 20 0 GFADRO COc1ccc(C(=O)N2CC[NH+](CC3CCOCC3)CC2)cc1Br ZINC000605488453 565952770 /nfs/dbraw/zinc/95/27/70/565952770.db2.gz AUYBTWZWDDPFRG-UHFFFAOYSA-N 1 0 397.313 2.642 20 0 GFADRO O=C([C@@H]1CC[C@H](C2CC2)[NH2+]1)N1CCO[C@@H](c2cccc(Br)c2)C1 ZINC000653080590 565954299 /nfs/dbraw/zinc/95/42/99/565954299.db2.gz LTTNABJBJCQFAA-IXDOHACOSA-N 1 0 379.298 2.880 20 0 GFADRO O=C([C@@H]1CC[C@H](C2CC2)[NH2+]1)N1CCN(Cc2ccc(Br)s2)CC1 ZINC000653105841 565955261 /nfs/dbraw/zinc/95/52/61/565955261.db2.gz LUYYBTWDDGHFRM-CABCVRRESA-N 1 0 398.370 2.685 20 0 GFADRO O=C(NCCC[NH+]1CCC(O)CC1)c1oc2ccccc2c1Br ZINC000631373067 565955816 /nfs/dbraw/zinc/95/58/16/565955816.db2.gz UAQONYRWCCMOHF-UHFFFAOYSA-N 1 0 381.270 2.772 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(C(=O)c3cc(F)ccc3Br)C2)C1 ZINC000653190449 565958488 /nfs/dbraw/zinc/95/84/88/565958488.db2.gz KCESXPVTWKKPME-GHJWDPDVSA-N 1 0 385.277 2.947 20 0 GFADRO O[C@@H](COc1ccc(Cl)c(Cl)c1)C[NH+]1CCC(Cn2ccnn2)CC1 ZINC000677061176 565959742 /nfs/dbraw/zinc/95/97/42/565959742.db2.gz DNKLNPFBLBRRJD-CQSZACIVSA-N 1 0 385.295 2.737 20 0 GFADRO CCO[C@@H]1CN(C(=O)c2cnn(-c3ccc(Cl)cc3Cl)c2)C[C@H]1C[NH3+] ZINC000653245711 565960718 /nfs/dbraw/zinc/96/07/18/565960718.db2.gz JVVVYWJOWURBPR-BDJLRTHQSA-N 1 0 383.279 2.615 20 0 GFADRO O=C(N[C@H]1CC[N@@H+](C2CC2)C1)c1cc(=O)[nH]c2ccc(Br)cc21 ZINC000606357509 565962034 /nfs/dbraw/zinc/96/20/34/565962034.db2.gz MEHCZVCOBSLDFA-NSHDSACASA-N 1 0 376.254 2.669 20 0 GFADRO CC(C)OCC[NH+]1CCC(NC(=O)c2c(F)cncc2Br)CC1 ZINC000631610274 565963822 /nfs/dbraw/zinc/96/38/22/565963822.db2.gz VJCLURCTFDZINI-UHFFFAOYSA-N 1 0 388.281 2.602 20 0 GFADRO C[NH+](C)CCCOC1CCN(C(=O)c2c(F)cncc2Br)CC1 ZINC000631626512 565964973 /nfs/dbraw/zinc/96/49/73/565964973.db2.gz ZBLCWGAORPHYHD-UHFFFAOYSA-N 1 0 388.281 2.556 20 0 GFADRO CC(C)[C@H](CNC(=O)NCc1n[nH]cc1Br)[NH+]1CCCCCC1 ZINC000606633672 565968290 /nfs/dbraw/zinc/96/82/90/565968290.db2.gz NDCKFQMYAFIBGN-HNNXBMFYSA-N 1 0 386.338 2.872 20 0 GFADRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]Cc3cn4cc(Br)ccc4n3)[C@H]2C1 ZINC000677267005 565968408 /nfs/dbraw/zinc/96/84/08/565968408.db2.gz MKBJHPLVZRKFDD-JQFCIGGWSA-N 1 0 391.313 2.833 20 0 GFADRO CC(C)[C@@H](NS(=O)(=O)CCCN1CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000631705160 565968604 /nfs/dbraw/zinc/96/86/04/565968604.db2.gz YZFQTLYXQIHNES-GOSISDBHSA-N 1 0 387.977 2.594 20 0 GFADRO C[NH+](C)CCCS(=O)(=O)N1CCC(c2nc3cc(Cl)ccc3o2)CC1 ZINC000631765283 565972090 /nfs/dbraw/zinc/97/20/90/565972090.db2.gz HJWZIZICYONHLL-UHFFFAOYSA-N 1 0 385.917 2.942 20 0 GFADRO OCC[NH2+]C1CCN(Cc2csc(COc3ccc(Cl)cc3)n2)CC1 ZINC000631863336 565978062 /nfs/dbraw/zinc/97/80/62/565978062.db2.gz UYIPIVNCQXMRCD-UHFFFAOYSA-N 1 0 381.929 2.922 20 0 GFADRO OCC[NH2+]C1CCN(CCOc2ccc(Cl)cc2Br)CC1 ZINC000631866586 565979109 /nfs/dbraw/zinc/97/91/09/565979109.db2.gz SCXQWJCTXBGOBP-UHFFFAOYSA-N 1 0 377.710 2.528 20 0 GFADRO C[C@H](NC(=O)[C@H](C)N1CCC([NH2+]CCO)CC1)c1ccc(Cl)cc1Cl ZINC000631865650 565979186 /nfs/dbraw/zinc/97/91/86/565979186.db2.gz FJLCUGJJNZEKCI-STQMWFEESA-N 1 0 388.339 2.605 20 0 GFADRO C[C@@H](c1ccc(Cl)cc1Cl)N(C)S(=O)(=O)N(C)C1CC[NH2+]CC1 ZINC000631911615 565982366 /nfs/dbraw/zinc/98/23/66/565982366.db2.gz LKEBXKMNBKJJQQ-NSHDSACASA-N 1 0 380.341 2.915 20 0 GFADRO CN(C1CC[NH2+]CC1)S(=O)(=O)N1CCc2sccc2[C@@H]1c1cccs1 ZINC000631909744 565982374 /nfs/dbraw/zinc/98/23/74/565982374.db2.gz ODPGNHBGVNJNOS-QGZVFWFLSA-N 1 0 397.591 2.686 20 0 GFADRO COCC[C@H](Cc1cccc(Br)c1)C(=O)NCC[NH+]1CCCC1 ZINC000607331865 565982607 /nfs/dbraw/zinc/98/26/07/565982607.db2.gz ISVUNZPQXMTOJS-MRXNPFEDSA-N 1 0 383.330 2.856 20 0 GFADRO COCC[C@@H](Cc1cccc(Br)c1)C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000607339726 565982644 /nfs/dbraw/zinc/98/26/44/565982644.db2.gz QJCYTMZFJYZOOO-DOTOQJQBSA-N 1 0 383.330 2.855 20 0 GFADRO C[C@@H]1C[C@H](N(C)S(=O)(=O)c2c[nH]c(=O)s2)CC[N@@H+]1Cc1ccccc1 ZINC000631997044 565989929 /nfs/dbraw/zinc/98/99/29/565989929.db2.gz QGANUEKPJAXNPU-UKRRQHHQSA-N 1 0 381.523 2.522 20 0 GFADRO Cc1c(Br)c[nH]c(=O)c1C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000632012762 565990858 /nfs/dbraw/zinc/99/08/58/565990858.db2.gz XFMUKVXFWULNSN-SWLSCSKDSA-N 1 0 394.313 2.947 20 0 GFADRO C[N@@H+]1CCC[C@@H](CNS(=O)(=O)CCC[NH+]2CCCC2)[C@H]1c1cccs1 ZINC000632027794 565991632 /nfs/dbraw/zinc/99/16/32/565991632.db2.gz NQYXZBYFWIYHJY-WMZOPIPTSA-N 1 0 385.599 2.536 20 0 GFADRO COc1cc(Br)c(CN2CC[NH+](C[C@@H]3CCCO3)CC2)c(OC)c1 ZINC000678125345 566000010 /nfs/dbraw/zinc/00/00/10/566000010.db2.gz RKTXOZFENBZLNV-AWEZNQCLSA-N 1 0 399.329 2.763 20 0 GFADRO CC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000608049518 566000861 /nfs/dbraw/zinc/00/08/61/566000861.db2.gz IWHRJNDSZPUMHI-AWEZNQCLSA-N 1 0 380.432 2.689 20 0 GFADRO C[C@@H]1C[C@@H]1N1C[C@H]([NH2+]Cc2cnn(-c3ccc(Br)cc3)c2)CC1=O ZINC000608071355 566002527 /nfs/dbraw/zinc/00/25/27/566002527.db2.gz BVMSYBCTFHMPFN-VMGRFDJRSA-N 1 0 389.297 2.734 20 0 GFADRO CN1CCC([N@@H+]2CC[C@H](NC(=O)COc3cc(Cl)cc(Cl)c3)C2)CC1 ZINC000608133723 566004933 /nfs/dbraw/zinc/00/49/33/566004933.db2.gz CZHRHPQOIGGBGD-HNNXBMFYSA-N 1 0 386.323 2.657 20 0 GFADRO O=C(NC1CC[NH+](C2CC2)CC1)N1CCOc2cccc(Br)c2C1 ZINC000654361493 566007001 /nfs/dbraw/zinc/00/70/01/566007001.db2.gz ONWUCEXDODUWFG-UHFFFAOYSA-N 1 0 394.313 2.980 20 0 GFADRO C[C@@H](NC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)c1cc(F)c(Cl)cc1Cl ZINC000654352036 566007408 /nfs/dbraw/zinc/00/74/08/566007408.db2.gz VQPNNHRBWLDWFO-OUAUKWLOSA-N 1 0 376.259 2.654 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)N2CCOc3cccc(Br)c3C2)CC[N@@H+]1C ZINC000654462536 566010929 /nfs/dbraw/zinc/01/09/29/566010929.db2.gz ZXIHBEALMHRFIE-OLZOCXBDSA-N 1 0 382.302 2.836 20 0 GFADRO Nc1nc(-n2cccn2)cc(N2CCc3c(F)cc(Br)cc3C2)[nH+]1 ZINC000678480798 566011317 /nfs/dbraw/zinc/01/13/17/566011317.db2.gz ODCPISLDTZTRMV-UHFFFAOYSA-N 1 0 389.232 2.709 20 0 GFADRO COc1ccc([C@H](C)[NH2+]CCCN2CCCS2(=O)=O)cc1Br ZINC000678580643 566013094 /nfs/dbraw/zinc/01/30/94/566013094.db2.gz LEPAOBDCJLZSHX-LBPRGKRZSA-N 1 0 391.331 2.534 20 0 GFADRO CCn1cnnc1CC[NH2+][C@H](C)CC(=O)Nc1cccc(Br)c1 ZINC000678588882 566013449 /nfs/dbraw/zinc/01/34/49/566013449.db2.gz QRBIJXCROKOIPP-GFCCVEGCSA-N 1 0 380.290 2.610 20 0 GFADRO Brc1ccccc1-n1cc(CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)nn1 ZINC000678580792 566013960 /nfs/dbraw/zinc/01/39/60/566013960.db2.gz MUXCYAJGMWITTA-UKRRQHHQSA-N 1 0 376.302 2.746 20 0 GFADRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)N2CCO[C@H](c3ccc(Br)cc3)C2)C1 ZINC000654658610 566018545 /nfs/dbraw/zinc/01/85/45/566018545.db2.gz SDDOUDNPIHKQOB-XKQJLSEDSA-N 1 0 396.329 2.872 20 0 GFADRO C[C@@H]([NH2+]Cc1ccn(C)c(=O)c1)c1cc2c(cc1Br)OCCO2 ZINC000678755950 566019356 /nfs/dbraw/zinc/01/93/56/566019356.db2.gz MPUWBEAWOAZAGR-LLVKDONJSA-N 1 0 379.254 2.770 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000608697790 566020704 /nfs/dbraw/zinc/02/07/04/566020704.db2.gz DWDMHNLNLYGIEP-CQSZACIVSA-N 1 0 386.327 2.704 20 0 GFADRO CC[C@H]([NH2+]CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl)C1CCCCC1 ZINC000678895057 566024365 /nfs/dbraw/zinc/02/43/65/566024365.db2.gz KTPWZPLVOTWWBL-HNNXBMFYSA-N 1 0 387.933 2.874 20 0 GFADRO O=S(=O)(CC[NH2+]C1(CO)CCCCC1)c1ccc(Br)cc1 ZINC000678974776 566026861 /nfs/dbraw/zinc/02/68/61/566026861.db2.gz VNKRXCOVCONNLI-UHFFFAOYSA-N 1 0 376.316 2.508 20 0 GFADRO CN1C(=O)N[C@]2(CCC[C@H]2C[NH2+][C@@H]2CCc3cc(Br)ccc32)C1=O ZINC000679063214 566029050 /nfs/dbraw/zinc/02/90/50/566029050.db2.gz FVGGDYDETJTHAS-PNPHSEOMSA-N 1 0 392.297 2.747 20 0 GFADRO Cc1ccc(C(=O)N2CC[NH+](CC3CC3)CC2)cc1I ZINC000609071735 566029845 /nfs/dbraw/zinc/02/98/45/566029845.db2.gz WQHIORSRLAAZCB-UHFFFAOYSA-N 1 0 384.261 2.767 20 0 GFADRO O=C(Nc1ccccc1Br)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000654946869 566031267 /nfs/dbraw/zinc/03/12/67/566031267.db2.gz ORIPMFUFHJNXFJ-HUUCEWRRSA-N 1 0 380.286 2.521 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000654947768 566031430 /nfs/dbraw/zinc/03/14/30/566031430.db2.gz VXCYKAARDKSHBN-JKSUJKDBSA-N 1 0 394.313 2.829 20 0 GFADRO Cc1ccc(NC(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1Br ZINC000654945476 566031843 /nfs/dbraw/zinc/03/18/43/566031843.db2.gz BVURRRCEFOTLJO-CVEARBPZSA-N 1 0 394.313 2.829 20 0 GFADRO Cc1ccc(Br)c(NC(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)c1 ZINC000654948664 566032002 /nfs/dbraw/zinc/03/20/02/566032002.db2.gz FHJTZNGOHZOJAI-ZBFHGGJFSA-N 1 0 394.313 2.829 20 0 GFADRO CC[NH+](CC)CC[C@@H](CO)NC(=O)[C@H]1CCc2cc(Br)ccc21 ZINC000655049622 566037682 /nfs/dbraw/zinc/03/76/82/566037682.db2.gz QKZZDHMOONPFPH-RDJZCZTQSA-N 1 0 383.330 2.688 20 0 GFADRO C[C@@H](NC(=O)CCn1cc(Br)cn1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000679664795 566049133 /nfs/dbraw/zinc/04/91/33/566049133.db2.gz ITZODLFVJABRAM-KGLIPLIRSA-N 1 0 383.334 2.805 20 0 GFADRO O=C(c1ccc2scc(Br)c2c1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000655294132 566050431 /nfs/dbraw/zinc/05/04/31/566050431.db2.gz LQPMCSWBSUJVLR-NWDGAFQWSA-N 1 0 381.295 2.555 20 0 GFADRO O=C(CCCC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)c1ccc(Cl)c(Cl)c1 ZINC000655295379 566050750 /nfs/dbraw/zinc/05/07/50/566050750.db2.gz AHNMGPACCRYLEB-UONOGXRCSA-N 1 0 385.291 2.624 20 0 GFADRO Cc1cc(CC(C)(C)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)ccc1Br ZINC000655294072 566050846 /nfs/dbraw/zinc/05/08/46/566050846.db2.gz IZZWZPPAPODIAX-JKSUJKDBSA-N 1 0 395.341 2.604 20 0 GFADRO CC(C)[N@H+](C)CCNC(=O)NCc1noc(-c2cccc(Br)c2)n1 ZINC000655356652 566055127 /nfs/dbraw/zinc/05/51/27/566055127.db2.gz YHMGZVJRRSAQMI-UHFFFAOYSA-N 1 0 396.289 2.639 20 0 GFADRO CCC1([NH+](C)C)CCN(S(=O)(=O)c2cc3c(cc2Cl)OCCO3)CC1 ZINC000632658768 566055604 /nfs/dbraw/zinc/05/56/04/566055604.db2.gz GMZZBRYCFTULBK-UHFFFAOYSA-N 1 0 388.917 2.606 20 0 GFADRO O=C([C@@H]1C[C@@]12CCC[NH2+]C2)N1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000655429608 566056261 /nfs/dbraw/zinc/05/62/61/566056261.db2.gz DZIBHYUDCQYRCN-XYJFISCASA-N 1 0 379.298 2.739 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000655431328 566056623 /nfs/dbraw/zinc/05/66/23/566056623.db2.gz DCVDQCQPIIICON-KBXCAEBGSA-N 1 0 394.313 2.592 20 0 GFADRO [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)CCc1c(Cl)cccc1Cl ZINC000655457826 566057486 /nfs/dbraw/zinc/05/74/86/566057486.db2.gz FSOWALHQBWYBNO-ZDUSSCGKSA-N 1 0 386.323 2.772 20 0 GFADRO Cc1cnc(CCNC(=O)[C@@](C)([NH3+])c2ccc(Br)cc2)c(C)c1 ZINC000655489359 566059473 /nfs/dbraw/zinc/05/94/73/566059473.db2.gz ZZBFOQRAIJIQHS-SFHVURJKSA-N 1 0 376.298 2.994 20 0 GFADRO Cc1csc(-c2ccc(S(=O)(=O)N[C@H]3CC[N@H+](CC4CC4)C3)cc2)n1 ZINC000655503141 566060738 /nfs/dbraw/zinc/06/07/38/566060738.db2.gz LFHLQJRXJKOWFN-INIZCTEOSA-N 1 0 377.535 2.881 20 0 GFADRO [NH3+][C@@H](Cc1ccccc1)C(=O)N1CCOc2cccc(Br)c2C1 ZINC000655503750 566060822 /nfs/dbraw/zinc/06/08/22/566060822.db2.gz IKAJLKHJDWHCNI-INIZCTEOSA-N 1 0 375.266 2.740 20 0 GFADRO CO[C@H](C[NH3+])CC(=O)N1CCN(c2cc(Cl)c(Cl)c(Cl)c2)CC1 ZINC000655524861 566063489 /nfs/dbraw/zinc/06/34/89/566063489.db2.gz IBXVLJHHKIJJHT-NSHDSACASA-N 1 0 380.703 2.659 20 0 GFADRO Cc1c(Br)cccc1CS(=O)(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000655523587 566064344 /nfs/dbraw/zinc/06/43/44/566064344.db2.gz LQHKTYZQYLXRFU-BLLLJJGKSA-N 1 0 389.359 2.859 20 0 GFADRO CC(C)(C)OC(=O)CSCC(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000610152048 566069460 /nfs/dbraw/zinc/06/94/60/566069460.db2.gz BRJDLVYBEMJJLZ-UHFFFAOYSA-N 1 0 388.599 2.539 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)c2cc(F)ccc2I)CC[N@@H+]1C ZINC000610209596 566071726 /nfs/dbraw/zinc/07/17/26/566071726.db2.gz UCAPOGCAUJVILH-KOLCDFICSA-N 1 0 376.213 2.643 20 0 GFADRO O=C([C@@H]1CCOc2ccc(Br)cc21)N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000632864474 566072290 /nfs/dbraw/zinc/07/22/90/566072290.db2.gz OXEKVROYTSWEMX-BJJXKVORSA-N 1 0 379.298 2.916 20 0 GFADRO C[C@H]1C[C@H]([NH3+])CN1C(=O)Nc1cc(Br)cnc1OCC(F)(F)F ZINC000632913219 566074295 /nfs/dbraw/zinc/07/42/95/566074295.db2.gz IMLOIWZQSLFJBE-CBAPKCEASA-N 1 0 397.195 2.739 20 0 GFADRO C[NH+](C)CCN(CC(=O)OC(C)(C)C)C(=O)[C@@H]1SCCc2sccc21 ZINC000610291717 566074999 /nfs/dbraw/zinc/07/49/99/566074999.db2.gz CVMJXURLFZVPBQ-MRXNPFEDSA-N 1 0 384.567 2.810 20 0 GFADRO [NH3+]C[C@H]1CC[C@H](NC(=O)Nc2cc(Br)cnc2-n2cccn2)CC1 ZINC000632935714 566075444 /nfs/dbraw/zinc/07/54/44/566075444.db2.gz QAYYRTMIHBUYTE-AULYBMBSSA-N 1 0 393.289 2.669 20 0 GFADRO C[C@H]1C[C@@H]([NH3+])CN1C(=O)Nc1cc(Br)cc(C(=O)N2CCCC2)c1 ZINC000632943081 566076439 /nfs/dbraw/zinc/07/64/39/566076439.db2.gz VGTIXCWFVGUQJG-SMDDNHRTSA-N 1 0 395.301 2.639 20 0 GFADRO [NH3+][C@@H]1CCCCCN(C(=O)Nc2ccnn2-c2ccc(Br)cn2)C1 ZINC000632942949 566076576 /nfs/dbraw/zinc/07/65/76/566076576.db2.gz UULVCZCWTGXBRY-CYBMUJFWSA-N 1 0 393.289 2.765 20 0 GFADRO COC(=O)[C@H](c1ccc(Cl)cc1Cl)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000610390821 566080012 /nfs/dbraw/zinc/08/00/12/566080012.db2.gz NUIYTMZSFBVIBI-BBWFWOEESA-N 1 0 387.307 2.739 20 0 GFADRO CN1CC[C@@H]([NH+]2CCC(NC(=O)c3cc(Cl)cc(Cl)c3F)CC2)C1=O ZINC000633062024 566082385 /nfs/dbraw/zinc/08/23/85/566082385.db2.gz MXVRPOHUUXQXKV-CQSZACIVSA-N 1 0 388.270 2.557 20 0 GFADRO C[NH+]1CCC2(CCN(C(=O)c3cc(Br)c4nccn4c3)C2)CC1 ZINC000633126211 566084869 /nfs/dbraw/zinc/08/48/69/566084869.db2.gz QWAADFFSDHLYAC-UHFFFAOYSA-N 1 0 377.286 2.655 20 0 GFADRO OC[C@@H]([NH2+]C1CCN(C[C@H]2CCCO2)CC1)c1ccc(Br)cc1 ZINC000655737158 566085284 /nfs/dbraw/zinc/08/52/84/566085284.db2.gz WGGACXAGOGIQAM-QZTJIDSGSA-N 1 0 383.330 2.716 20 0 GFADRO Cc1nn(-c2cccc(Br)c2)cc1C[NH2+]C[C@H](CO)[C@H]1CCOC1 ZINC000655768304 566087168 /nfs/dbraw/zinc/08/71/68/566087168.db2.gz UUOXUBSGZKUASX-GOEBONIOSA-N 1 0 394.313 2.678 20 0 GFADRO CCC[C@H](O)[C@H](CO)[NH2+]Cc1cn(-c2ccccc2Br)nc1C ZINC000655780537 566088346 /nfs/dbraw/zinc/08/83/46/566088346.db2.gz SQAFBULAWUHASV-RDJZCZTQSA-N 1 0 382.302 2.555 20 0 GFADRO Cc1nn(-c2ccccc2Br)cc1C[NH2+]C[C@@H]1CCCC(=O)N1 ZINC000655769143 566088968 /nfs/dbraw/zinc/08/89/68/566088968.db2.gz WMWRFWHUTGRXJC-AWEZNQCLSA-N 1 0 377.286 2.702 20 0 GFADRO Cc1cc(Br)cc(C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)c1 ZINC000680970447 566089229 /nfs/dbraw/zinc/08/92/29/566089229.db2.gz BOHSFXHHUFRJAT-QGZVFWFLSA-N 1 0 380.330 2.610 20 0 GFADRO COc1cc(C[NH2+]C[C@](C)(CO)OC)cc(Br)c1OC(F)F ZINC000655809192 566089658 /nfs/dbraw/zinc/08/96/58/566089658.db2.gz SSKIXCQQFZPGBY-CQSZACIVSA-N 1 0 384.217 2.546 20 0 GFADRO Cc1nn(-c2cccc(Br)c2)cc1C[NH2+]C[C@]1(C)CCC(=O)N1 ZINC000655793653 566089714 /nfs/dbraw/zinc/08/97/14/566089714.db2.gz ZBWGTVNPMUAZRR-KRWDZBQOSA-N 1 0 377.286 2.702 20 0 GFADRO Cc1cc(N2CCC[C@H]([N@H+](C)C[C@H](O)C3CC3)C2=O)ccc1Br ZINC000680984283 566090399 /nfs/dbraw/zinc/09/03/99/566090399.db2.gz DWJGKJYNTKSWBX-IRXDYDNUSA-N 1 0 381.314 2.956 20 0 GFADRO CC(C)(C)O[C@H]1C[C@H]([NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)C1 ZINC000655845469 566092657 /nfs/dbraw/zinc/09/26/57/566092657.db2.gz ICKCGIMUOWSZLZ-HAQNSBGRSA-N 1 0 391.331 2.532 20 0 GFADRO Cc1cccc(NC(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c1Br ZINC000681100476 566094470 /nfs/dbraw/zinc/09/44/70/566094470.db2.gz JZPUUWAKFWNLDZ-LSDHHAIUSA-N 1 0 382.302 2.820 20 0 GFADRO CC(C)(CNC(=O)N[C@H](C[NH3+])C(F)(F)F)c1ccccc1Br ZINC000655919488 566094812 /nfs/dbraw/zinc/09/48/12/566094812.db2.gz DGKWEPNOTIQACZ-LLVKDONJSA-N 1 0 382.224 2.916 20 0 GFADRO C[C@H](Cc1cc(Br)ccc1F)NC(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000655920525 566095747 /nfs/dbraw/zinc/09/57/47/566095747.db2.gz IARYIDCZAYGGHZ-HQJQHLMTSA-N 1 0 386.187 2.708 20 0 GFADRO [NH3+]C[C@H](NC(=O)NC[C@@H](OCC1CC1)c1ccc(Cl)cc1)C(F)(F)F ZINC000655926541 566096149 /nfs/dbraw/zinc/09/61/49/566096149.db2.gz FBCYYSQZSXEOGH-KGLIPLIRSA-N 1 0 379.810 2.997 20 0 GFADRO CO[C@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000655920895 566096805 /nfs/dbraw/zinc/09/68/05/566096805.db2.gz JURFYNSLNDJHND-FXAINCCUSA-N 1 0 398.223 2.714 20 0 GFADRO [NH3+]C[C@H](NC(=O)N1CCN(c2c(Cl)cccc2Cl)CC1)C(F)(F)F ZINC000655924353 566096840 /nfs/dbraw/zinc/09/68/40/566096840.db2.gz KTNVKRRJTMCVMF-NSHDSACASA-N 1 0 385.217 2.715 20 0 GFADRO [NH3+]C[C@@H](NC(=O)NCCc1ccc(Br)cc1Cl)C(F)(F)F ZINC000655927588 566097119 /nfs/dbraw/zinc/09/71/19/566097119.db2.gz PDGOOXNWDMZMRL-SNVBAGLBSA-N 1 0 388.615 2.834 20 0 GFADRO [NH3+]C[C@H](NC(=O)NC[C@H](OCC1CC1)c1ccc(Cl)cc1)C(F)(F)F ZINC000655926538 566097157 /nfs/dbraw/zinc/09/71/57/566097157.db2.gz FBCYYSQZSXEOGH-KBPBESRZSA-N 1 0 379.810 2.997 20 0 GFADRO Cc1c(Br)cccc1CS(=O)(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000655950235 566098016 /nfs/dbraw/zinc/09/80/16/566098016.db2.gz IWQNGWSIIFYPMK-OLZOCXBDSA-N 1 0 375.332 2.647 20 0 GFADRO [NH3+]C[C@@H](NC(=O)N[C@@H]1CCc2c1ccc(F)c2Br)C(F)(F)F ZINC000655932433 566098261 /nfs/dbraw/zinc/09/82/61/566098261.db2.gz VPDDLMZGMWDYRZ-NXEZZACHSA-N 1 0 384.171 2.764 20 0 GFADRO Cc1c(Br)cccc1CS(=O)(=O)N1CCC(CC[NH3+])CC1 ZINC000655954042 566099468 /nfs/dbraw/zinc/09/94/68/566099468.db2.gz WPTUTUSJTGBSIE-UHFFFAOYSA-N 1 0 375.332 2.648 20 0 GFADRO [NH3+]C/C=C\CNC(=O)N1CCN(c2cc(Cl)c(Cl)c(Cl)c2)CC1 ZINC000655967809 566100032 /nfs/dbraw/zinc/10/00/32/566100032.db2.gz DZHLKFISZXAWRD-UPHRSURJSA-N 1 0 377.703 2.993 20 0 GFADRO CC[C@H]1CN(C(=O)C(=O)NCCCc2c(Cl)cccc2Cl)CC[C@@H]1[NH3+] ZINC000656030007 566101430 /nfs/dbraw/zinc/10/14/30/566101430.db2.gz NMZOUFKEPWMJBA-LRDDRELGSA-N 1 0 386.323 2.628 20 0 GFADRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)NCCCc1c(Cl)cccc1Cl ZINC000656085999 566103438 /nfs/dbraw/zinc/10/34/38/566103438.db2.gz PIWUYIJWTLVEKP-ZDUSSCGKSA-N 1 0 386.323 2.595 20 0 GFADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)Cc1ccccc1I ZINC000610922947 566106129 /nfs/dbraw/zinc/10/61/29/566106129.db2.gz JKOCTWRNIJTSPN-AWEZNQCLSA-N 1 0 386.277 2.824 20 0 GFADRO O=C(c1csc(Br)c1)N1CCc2[nH]cnc2C12CCOCC2 ZINC000633526070 566108562 /nfs/dbraw/zinc/10/85/62/566108562.db2.gz MBGJMKKRYARLJL-UHFFFAOYSA-N 1 0 382.283 2.938 20 0 GFADRO O=C(N[C@@H]1CCc2c1ccc(F)c2Br)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000633649893 566112138 /nfs/dbraw/zinc/11/21/38/566112138.db2.gz MPKSQLNNLLUTHQ-VQISRLSMSA-N 1 0 382.277 2.969 20 0 GFADRO O[C@@H]1C[C@H]2CN(c3ccc4c(Br)ccc(Cl)c4n3)CC[N@@H+]2C1 ZINC000656219181 566114403 /nfs/dbraw/zinc/11/44/03/566114403.db2.gz MXYVNDTXYNNYDY-WDEREUQCSA-N 1 0 382.689 2.906 20 0 GFADRO Ic1ccc(-c2nc(CN3C[C@H]4C[NH2+]C[C@H]4C3)co2)cc1 ZINC000611136035 566117733 /nfs/dbraw/zinc/11/77/33/566117733.db2.gz KHSKRVAHVGNTCD-BETUJISGSA-N 1 0 395.244 2.597 20 0 GFADRO Cc1nn(-c2cccc(Br)c2)cc1C[N@H+]1CC[C@@H](C(=O)N(C)C)C1 ZINC000656264427 566120221 /nfs/dbraw/zinc/12/02/21/566120221.db2.gz XDVKFWWNFAVDQN-CQSZACIVSA-N 1 0 391.313 2.853 20 0 GFADRO Cc1nn(-c2cccc(Br)c2)cc1C[N@@H+](CCO)[C@@H]1CCO[C@H]1C ZINC000656261424 566121282 /nfs/dbraw/zinc/12/12/82/566121282.db2.gz AQPLNIXDTYCCNE-KBXCAEBGSA-N 1 0 394.313 2.915 20 0 GFADRO COc1cc(Br)ccc1CNC(=O)CCN(C)c1cc[nH+]cc1 ZINC000681747155 566125055 /nfs/dbraw/zinc/12/50/55/566125055.db2.gz HGGZZUOJOWNQKN-UHFFFAOYSA-N 1 0 378.270 2.995 20 0 GFADRO CCOc1cc(CN2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)cc(Br)c1O ZINC000656432631 566126123 /nfs/dbraw/zinc/12/61/23/566126123.db2.gz YKRGXFRHZUWYJF-HZPDHXFCSA-N 1 0 399.329 2.584 20 0 GFADRO CC[NH+](CC)Cc1ccc(C(=O)NCc2c(Br)cnn2C)cc1 ZINC000633991947 566136571 /nfs/dbraw/zinc/13/65/71/566136571.db2.gz GKNRQMXXHIOGEM-UHFFFAOYSA-N 1 0 379.302 2.954 20 0 GFADRO CN(C(=O)c1cnc2ncc(Br)cc2c1)[C@@H]1C[NH+]2CCC1CC2 ZINC000682001366 566137467 /nfs/dbraw/zinc/13/74/67/566137467.db2.gz FINLFZZMQBWVFW-OAHLLOKOSA-N 1 0 375.270 2.559 20 0 GFADRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1cnc2ncc(Br)cc2c1 ZINC000682002389 566137810 /nfs/dbraw/zinc/13/78/10/566137810.db2.gz YIRIUFZJISHZTL-XHDPSFHLSA-N 1 0 377.286 2.805 20 0 GFADRO CCOC(=O)COc1c(Br)cc(C)cc1C[NH2+][C@@H]1CCCN(C)C1 ZINC000611622467 566139685 /nfs/dbraw/zinc/13/96/85/566139685.db2.gz KECCMGLJAGCFAP-OAHLLOKOSA-N 1 0 399.329 2.883 20 0 GFADRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C[C@@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000682030823 566141017 /nfs/dbraw/zinc/14/10/17/566141017.db2.gz CESVGVGAUIGUIJ-UONOGXRCSA-N 1 0 391.339 2.510 20 0 GFADRO Cc1cc(C)c(NC(=O)N2CC[N@H+](CCO)C(C)(C)C2)cc1Br ZINC000682052049 566141785 /nfs/dbraw/zinc/14/17/85/566141785.db2.gz CRMRIRHYTFAVBN-UHFFFAOYSA-N 1 0 384.318 2.986 20 0 GFADRO C[NH+](C)[C@@]1(CNC(=O)Cc2ccc(Br)cc2F)CCSC1 ZINC000611927987 566145003 /nfs/dbraw/zinc/14/50/03/566145003.db2.gz GNBOHXIYFKJLNF-OAHLLOKOSA-N 1 0 375.307 2.684 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)N[C@@H](C)C1CC[NH+](C)CC1 ZINC000682195696 566146810 /nfs/dbraw/zinc/14/68/10/566146810.db2.gz LQAPAYIUAKPNKB-ZDUSSCGKSA-N 1 0 396.329 2.851 20 0 GFADRO Cc1ccc(NC(=O)C(=O)N2CCC[C@H]([NH2+]C(C)C)C2)cc1Br ZINC000682353364 566151366 /nfs/dbraw/zinc/15/13/66/566151366.db2.gz XHNHWFVDJMJSFV-AWEZNQCLSA-N 1 0 382.302 2.685 20 0 GFADRO CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)Nc2cc(Br)ccc2F)C1 ZINC000682354418 566151911 /nfs/dbraw/zinc/15/19/11/566151911.db2.gz BJEFJCULJZHHLQ-LBPRGKRZSA-N 1 0 386.265 2.516 20 0 GFADRO CO[C@H](C[NH2+][C@@H]1CCN(c2ccc(Br)c(C)c2)C1=O)[C@@H]1CCOC1 ZINC000656675928 566154785 /nfs/dbraw/zinc/15/47/85/566154785.db2.gz FAAARXPUTJEGQX-KBRIMQKVSA-N 1 0 397.313 2.504 20 0 GFADRO Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)c3cc[nH]c(=O)c3Br)C2)cc1 ZINC000634458537 566155919 /nfs/dbraw/zinc/15/59/19/566155919.db2.gz XPZSFGFOPLZWQG-CQSZACIVSA-N 1 0 390.281 2.862 20 0 GFADRO C[NH+](C)C1(CNC(=O)Cc2ccc(Br)c(Cl)c2)CCOCC1 ZINC000682503123 566159565 /nfs/dbraw/zinc/15/95/65/566159565.db2.gz PYTRYVZKDBLHLI-UHFFFAOYSA-N 1 0 389.721 2.872 20 0 GFADRO COCC[N@@H+]1CCC[C@H](NC(=O)C2(c3ccccc3Br)CC2)C1 ZINC000682718698 566168006 /nfs/dbraw/zinc/16/80/06/566168006.db2.gz QNARZTUGDZBMJQ-AWEZNQCLSA-N 1 0 381.314 2.708 20 0 GFADRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2cc(Br)cc3[nH]c(=O)[nH]c32)C1 ZINC000612649464 566168724 /nfs/dbraw/zinc/16/87/24/566168724.db2.gz MMTATHLIYRGNNU-YGRLFVJLSA-N 1 0 393.285 2.587 20 0 GFADRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2cc(Br)cc3c2OCCO3)C1 ZINC000612649381 566168996 /nfs/dbraw/zinc/16/89/96/566168996.db2.gz LGGYRKBUJHNCNC-WFASDCNBSA-N 1 0 395.297 2.777 20 0 GFADRO CS(=O)(=O)[C@@H]1CCC[C@@H]([NH2+]C[C@H](O)COc2cc(Cl)cc(Cl)c2)C1 ZINC000634706472 566170707 /nfs/dbraw/zinc/17/07/07/566170707.db2.gz PRZOFIRIJOIDQX-IJEWVQPXSA-N 1 0 396.336 2.679 20 0 GFADRO CS(=O)(=O)C1(C[NH2+]C[C@@H](O)COc2cc(Cl)cc(Cl)c2)CCCC1 ZINC000634714333 566171580 /nfs/dbraw/zinc/17/15/80/566171580.db2.gz JQEAHUBTDLWFAL-CQSZACIVSA-N 1 0 396.336 2.680 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2C(=O)Cc1ccc(Br)cc1F ZINC000612751358 566173659 /nfs/dbraw/zinc/17/36/59/566173659.db2.gz FOGAEAVGDNLOLJ-DJIMGWMZSA-N 1 0 399.304 2.841 20 0 GFADRO CSc1ccc(OC[C@H](O)C[NH2+]CCn2ccc(C(F)(F)F)n2)cc1 ZINC000634731126 566173791 /nfs/dbraw/zinc/17/37/91/566173791.db2.gz GUIWFTIUECSQLP-GFCCVEGCSA-N 1 0 375.416 2.653 20 0 GFADRO CN1CCCC[C@@H]([N@H+](C)CCC(=O)Nc2ccccc2Br)C1=O ZINC000634742706 566174031 /nfs/dbraw/zinc/17/40/31/566174031.db2.gz UIOOPCSKHHTBFW-OAHLLOKOSA-N 1 0 382.302 2.720 20 0 GFADRO CN(C[C@@H]1CCC[N@H+](C)C1)S(=O)(=O)Cc1cc(F)ccc1Br ZINC000656905581 566179991 /nfs/dbraw/zinc/17/99/91/566179991.db2.gz QXUQBMVZLSNZDQ-GFCCVEGCSA-N 1 0 393.322 2.692 20 0 GFADRO COc1ccc([C@H](C)NC(=O)N[C@@H]2CC23CC[NH2+]CC3)cc1Br ZINC000612964780 566180303 /nfs/dbraw/zinc/18/03/03/566180303.db2.gz TWTRYGFPZASCBN-XHDPSFHLSA-N 1 0 382.302 2.960 20 0 GFADRO C[C@@H](Cc1ccc(F)c(Br)c1)NC(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000612977915 566180572 /nfs/dbraw/zinc/18/05/72/566180572.db2.gz RQDSSTWEIHHIBF-XHDPSFHLSA-N 1 0 384.293 2.961 20 0 GFADRO CO[C@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000612978966 566181470 /nfs/dbraw/zinc/18/14/70/566181470.db2.gz CTDXUMLWUWXKBF-KCXAZCMYSA-N 1 0 396.329 2.966 20 0 GFADRO COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)N1CCC[C@H]([NH2+]C(C)C)C1 ZINC000683026134 566181936 /nfs/dbraw/zinc/18/19/36/566181936.db2.gz NQSLJTLCPOQASZ-NSHDSACASA-N 1 0 388.295 2.930 20 0 GFADRO O=S(=O)(N[C@@H]1CC[N@H+](CC2CC2)C1)c1cccc(Cl)c1Br ZINC000683143171 566183860 /nfs/dbraw/zinc/18/38/60/566183860.db2.gz MKXCEFNUHVZKNL-LLVKDONJSA-N 1 0 393.734 2.865 20 0 GFADRO C[C@H](C[NH2+][C@H]1CCCS(=O)(=O)CC1)Oc1cccc(Br)c1 ZINC000634965863 566185960 /nfs/dbraw/zinc/18/59/60/566185960.db2.gz WAVDZEACHSQSDM-OCCSQVGLSA-N 1 0 376.316 2.773 20 0 GFADRO COc1cc(Br)c2nc(N3CCC([NH+](C)C)CC3)nc(N)c2c1 ZINC000683184102 566186618 /nfs/dbraw/zinc/18/66/18/566186618.db2.gz UJBJMNOWHGJICJ-UHFFFAOYSA-N 1 0 380.290 2.514 20 0 GFADRO Cc1ccc(CNC(=O)N2CC[NH+](C3CCOCC3)CC2)cc1Br ZINC000634977004 566186985 /nfs/dbraw/zinc/18/69/85/566186985.db2.gz NOMKRSVEXZBUFP-UHFFFAOYSA-N 1 0 396.329 2.764 20 0 GFADRO COc1ccc([C@@H](NCc2c(Br)cnn2C)[C@@H]2CCC[NH2+]2)cc1 ZINC000635024378 566189948 /nfs/dbraw/zinc/18/99/48/566189948.db2.gz XJIITHSUIYTHIO-DOTOQJQBSA-N 1 0 379.302 2.774 20 0 GFADRO CC(C)[N@@H+]1CCC[C@H](NS(=O)(=O)Cc2cc(F)ccc2Br)C1 ZINC000656963187 566195266 /nfs/dbraw/zinc/19/52/66/566195266.db2.gz LGWWWQSXVWSHNF-AWEZNQCLSA-N 1 0 393.322 2.880 20 0 GFADRO CCN(CCC[NH+](CC)CC)S(=O)(=O)c1ncccc1Br ZINC000656970679 566197118 /nfs/dbraw/zinc/19/71/18/566197118.db2.gz PJTBSPRMAOMCRL-UHFFFAOYSA-N 1 0 378.336 2.587 20 0 GFADRO CN(CCC[NH+]1CCCC1)S(=O)(=O)Cc1cc(F)ccc1Br ZINC000656978001 566198150 /nfs/dbraw/zinc/19/81/50/566198150.db2.gz AAHWRQNFJOHLFP-UHFFFAOYSA-N 1 0 393.322 2.836 20 0 GFADRO C[NH+](C)CCn1ccc(NC(=O)N2CCc3ccc(Br)cc32)n1 ZINC000683452991 566201279 /nfs/dbraw/zinc/20/12/79/566201279.db2.gz DCEQFLHOLDPZAF-UHFFFAOYSA-N 1 0 378.274 2.802 20 0 GFADRO CC(C)[NH2+][C@@H]1CCCN(C(=O)c2cnc3ccc(Br)cc3c2O)C1 ZINC000683527919 566204027 /nfs/dbraw/zinc/20/40/27/566204027.db2.gz QQJGKDPGRLQFJL-CYBMUJFWSA-N 1 0 392.297 2.893 20 0 GFADRO C[N@@H+]1CC[C@H](CC(=O)NC[C@@H]2CCN(c3ccc(Br)cc3)C2)C1 ZINC000635393969 566209667 /nfs/dbraw/zinc/20/96/67/566209667.db2.gz DCVYCGOIKPCMNU-CABCVRRESA-N 1 0 380.330 2.733 20 0 GFADRO Cc1ccc(S(=O)(=O)NCC2CC[NH+](C3CCOCC3)CC2)c(Cl)c1 ZINC000657040003 566211462 /nfs/dbraw/zinc/21/14/62/566211462.db2.gz KHXWVIBRBHUSPY-UHFFFAOYSA-N 1 0 386.945 2.818 20 0 GFADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)c1coc(CO)c1 ZINC000635444400 566213477 /nfs/dbraw/zinc/21/34/77/566213477.db2.gz QMYMYBLWYIWKKL-UHFFFAOYSA-N 1 0 381.270 2.738 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000635528722 566217646 /nfs/dbraw/zinc/21/76/46/566217646.db2.gz VVODJRYHYBIDRM-MQMHXKEQSA-N 1 0 397.317 2.513 20 0 GFADRO C[NH+](C)C[C@@]1(O)CCCN(C(=O)c2csc(-c3ccccc3Cl)n2)C1 ZINC000683914600 566218262 /nfs/dbraw/zinc/21/82/62/566218262.db2.gz YFCXJAUOIHCANG-SFHVURJKSA-N 1 0 379.913 2.992 20 0 GFADRO Cc1cc(CCC(=O)N2CCC[C@](O)(C[NH+](C)C)C2)ccc1Br ZINC000683909761 566218426 /nfs/dbraw/zinc/21/84/26/566218426.db2.gz CZWMXLGQSWCSOS-SFHVURJKSA-N 1 0 383.330 2.605 20 0 GFADRO C[C@@H](CCNS(=O)(=O)Cc1ccc(Br)cc1Cl)[NH+](C)C ZINC000657093095 566221757 /nfs/dbraw/zinc/22/17/57/566221757.db2.gz YJMQPHYBRPHDBG-JTQLQIEISA-N 1 0 383.739 2.862 20 0 GFADRO Cc1nc(CS(=O)(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cs1 ZINC000684101937 566227135 /nfs/dbraw/zinc/22/71/35/566227135.db2.gz IZJBKSURMGQADW-PBHICJAKSA-N 1 0 379.551 2.924 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)N1CCOc2c(Br)cccc2C1 ZINC000684266639 566232127 /nfs/dbraw/zinc/23/21/27/566232127.db2.gz ZJCRNQFTUIKPSW-CYBMUJFWSA-N 1 0 380.286 2.590 20 0 GFADRO Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)n1C[N@H+](C)CCCc1ccccc1 ZINC000737523200 598851334 /nfs/dbraw/zinc/85/13/34/598851334.db2.gz HQBGXPIGIUPJRG-UHFFFAOYSA-N 1 0 388.479 2.956 20 0 GFADRO C[C@H]([NH2+]C(C)(C)CNC(=O)NCc1cccc(-c2nn[nH]n2)c1)c1ccccc1 ZINC000736129706 598851935 /nfs/dbraw/zinc/85/19/35/598851935.db2.gz FHBSLUXKIXUGNE-HNNXBMFYSA-N 1 0 393.495 2.795 20 0 GFADRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)CCc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000736266792 598868282 /nfs/dbraw/zinc/86/82/82/598868282.db2.gz KAIDICDJSYACJM-PKOBYXMFSA-N 1 0 396.539 2.912 20 0 GFADRO CS[C@H](CO)[C@H](C)[NH2+]Cc1cccc(OCc2cccc(-c3nn[nH]n3)c2)c1 ZINC000737170966 598887138 /nfs/dbraw/zinc/88/71/38/598887138.db2.gz MCUIEZODSSRUKL-IFXJQAMLSA-N 1 0 399.520 2.648 20 0 GFADRO O[C@H]1CCCC[C@@H]1[NH2+]Cc1cccc(OCc2cccc(-c3nn[nH]n3)c2)c1 ZINC000738391631 598900989 /nfs/dbraw/zinc/90/09/89/598900989.db2.gz YOLYSZQMHFZQDK-PMACEKPBSA-N 1 0 379.464 2.839 20 0 GFADRO O[C@H]1CCCC[C@H]1[NH2+]Cc1cccc(OCc2ccccc2-c2nn[nH]n2)c1 ZINC000738390120 598901019 /nfs/dbraw/zinc/90/10/19/598901019.db2.gz PHUZJGHKLXGRKF-UXHICEINSA-N 1 0 379.464 2.839 20 0 GFADRO FC(F)(F)c1ccc(C[N@@H+]2CC[C@H](Nc3ncccc3-c3nn[nH]n3)C2)cc1 ZINC000737635901 598915127 /nfs/dbraw/zinc/91/51/27/598915127.db2.gz PKBBFRNYATYFSW-AWEZNQCLSA-N 1 0 389.385 2.967 20 0 GFADRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNc2c3ccccc3nnc2-c2nn[nH]n2)C1 ZINC000736225753 598959569 /nfs/dbraw/zinc/95/95/69/598959569.db2.gz CZVHDDBXVYIQKD-HUUCEWRRSA-N 1 0 380.500 2.980 20 0 GFADRO c1ccc(C[N@H+]2CCC[C@H]2CNc2c3ccccc3nnc2-c2nn[nH]n2)cc1 ZINC000738432752 598969860 /nfs/dbraw/zinc/96/98/60/598969860.db2.gz LADHTVHCLSOTRQ-INIZCTEOSA-N 1 0 386.463 2.886 20 0 GFADRO C[C@H]1C[N@H+](Cc2ccc(F)cc2-c2nn[nH]n2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000736289210 598989558 /nfs/dbraw/zinc/98/95/58/598989558.db2.gz KWKQLUMJOJSSMY-LRDDRELGSA-N 1 0 390.463 2.741 20 0 GFADRO C[C@@H]1C[N@H+](Cc2cc(-c3nn[nH]n3)ccc2F)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000736288084 598989766 /nfs/dbraw/zinc/98/97/66/598989766.db2.gz QOGXKIWWVCMBSC-WBMJQRKESA-N 1 0 390.463 2.741 20 0 GFADRO CC[NH+](CC)CCNC(=O)c1ccc(OCc2cccc(-c3nn[nH]n3)c2)cc1 ZINC000736530915 599012621 /nfs/dbraw/zinc/01/26/21/599012621.db2.gz PCFAQUHMVCIBES-UHFFFAOYSA-N 1 0 394.479 2.517 20 0 GFADRO C[C@H]1C[NH+](C(C)(C)CNc2nc(C(F)(F)F)ccc2-c2nn[nH]n2)C[C@H](C)O1 ZINC000736289076 599041142 /nfs/dbraw/zinc/04/11/42/599041142.db2.gz CKKBZSPRTIXZAP-QWRGUYRKSA-N 1 0 399.421 2.580 20 0 GFADRO O=C(C[N@H+](Cc1ccc(F)cc1)CC1CC1)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000737862742 599081009 /nfs/dbraw/zinc/08/10/09/599081009.db2.gz APLMXSPGMSYDTB-UHFFFAOYSA-N 1 0 394.454 2.534 20 0 GFADRO C[C@@H](NC(=O)NCc1ccc(F)c(C[NH+](C)C)c1)c1ccc(-c2nn[nH]n2)cc1 ZINC000736118678 599105726 /nfs/dbraw/zinc/10/57/26/599105726.db2.gz OACFSNZHPDJZTP-CYBMUJFWSA-N 1 0 397.458 2.628 20 0 GFADRO O=C(NCc1cc(-c2nn[nH]n2)ccc1F)c1ccc(C[NH+]2CCCC2)cc1 ZINC000823242420 599173105 /nfs/dbraw/zinc/17/31/05/599173105.db2.gz YTJHGYDMEHRPMP-UHFFFAOYSA-N 1 0 380.427 2.532 20 0 GFADRO CCc1nn(C)c(Cl)c1C[NH2+]CCSCc1ccccc1-c1nn[nH]n1 ZINC000736705535 599176411 /nfs/dbraw/zinc/17/64/11/599176411.db2.gz JWGJSEXTKNHYEL-UHFFFAOYSA-N 1 0 391.932 2.839 20 0 GFADRO CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000736870759 598246151 /nfs/dbraw/zinc/24/61/51/598246151.db2.gz KIWOXKVBFYVNGD-IBGZPJMESA-N 1 0 376.464 2.634 20 0 GFADRO C[C@H](CNC(=O)Nc1cc(-c2nn[nH]n2)cn1C(C)(C)C)[NH+]1CCC(C)CC1 ZINC000736276921 598281306 /nfs/dbraw/zinc/28/13/06/598281306.db2.gz IQXPFKODIKTDGN-CQSZACIVSA-N 1 0 388.520 2.665 20 0 GFADRO O=C(NCc1ccc(-c2nn[nH]n2)cc1F)C1CC[NH+](Cc2ccccc2)CC1 ZINC000738100908 598299395 /nfs/dbraw/zinc/29/93/95/598299395.db2.gz ULRQRWYGASMXBY-UHFFFAOYSA-N 1 0 394.454 2.534 20 0 GFADRO C[C@@H](CNC(=S)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)[NH+]1CCC(C)CC1 ZINC000736277308 598324115 /nfs/dbraw/zinc/32/41/15/598324115.db2.gz MCFOAYFBEBCGKR-LBPRGKRZSA-N 1 0 393.948 2.927 20 0 GFADRO COc1cc(C[NH2+]CCSCc2ccccc2-c2nn[nH]n2)cc2c1OCO2 ZINC000737045717 598362485 /nfs/dbraw/zinc/36/24/85/598362485.db2.gz MKKLUTVBGMQTHP-UHFFFAOYSA-N 1 0 399.476 2.627 20 0 GFADRO Cc1csc(N2CC[N@@H+](CCCOc3ccc(-c4nn[nH]n4)cc3)C[C@@H]2C)n1 ZINC000737453285 598365206 /nfs/dbraw/zinc/36/52/06/598365206.db2.gz UIGIDTLVAMPETP-HNNXBMFYSA-N 1 0 399.524 2.611 20 0 GFADRO Cc1cc(NC[C@H](C2CC2)[NH+](C)C)n2c3ccccc3nc2c1-c1nn[nH]n1 ZINC000737274996 598383008 /nfs/dbraw/zinc/38/30/08/598383008.db2.gz SERLHHVGSLUVJX-MRXNPFEDSA-N 1 0 376.468 2.728 20 0 GFADRO O=C(CC[N@H+]1CC[C@@H](c2ccccc2F)C1)Nc1cccc(-c2nn[nH]n2)c1 ZINC000737840003 598418308 /nfs/dbraw/zinc/41/83/08/598418308.db2.gz YHQLELIGYNUPIA-OAHLLOKOSA-N 1 0 380.427 2.824 20 0 GFADRO Clc1cccc(N2CC[NH+](CCCNc3ncccc3-c3nn[nH]n3)CC2)c1 ZINC000737573203 598426267 /nfs/dbraw/zinc/42/62/67/598426267.db2.gz BATSENQXFGXBER-UHFFFAOYSA-N 1 0 398.902 2.539 20 0 GFADRO CN(C(=O)OC(C)(C)C)C1CC[NH+](Cc2cc(-c3nn[nH]n3)ccc2F)CC1 ZINC000736748795 598428889 /nfs/dbraw/zinc/42/88/89/598428889.db2.gz KSPRXHRTWKPYKX-UHFFFAOYSA-N 1 0 390.463 2.837 20 0 GFADRO COc1ccc(C)cc1[C@@H](C)[NH2+]CCC(=O)Nc1sccc1-c1nn[nH]n1 ZINC000737075598 598431601 /nfs/dbraw/zinc/43/16/01/598431601.db2.gz NFYABEDLFKVHMS-GFCCVEGCSA-N 1 0 386.481 2.925 20 0 GFADRO O=C(NC[C@H]1CC[N@H+](CCc2ccccc2)C1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000738048146 598468142 /nfs/dbraw/zinc/46/81/42/598468142.db2.gz DJTJQKVZAJCQMC-QGZVFWFLSA-N 1 0 391.479 2.553 20 0 GFADRO Cc1cc(N[C@@H]2CC[N@H+](CC3CC3)C2)n2c3ccccc3nc2c1-c1nn[nH]n1 ZINC000737274030 598503631 /nfs/dbraw/zinc/50/36/31/598503631.db2.gz KELRKKYBWLTLJW-OAHLLOKOSA-N 1 0 388.479 2.872 20 0 GFADRO c1cc(C[NH2+]CCOCC2CC2)cc(OCc2cccc(-c3nn[nH]n3)c2)c1 ZINC000738410319 598512304 /nfs/dbraw/zinc/51/23/04/598512304.db2.gz JLEPMXCFLRCXCB-UHFFFAOYSA-N 1 0 379.464 2.962 20 0 GFADRO C[C@H]1CC[C@H](NC(=O)N(CC[NH+](C)C)Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736767526 598516032 /nfs/dbraw/zinc/51/60/32/598516032.db2.gz QRHKAUSCDXLHLY-RZDIXWSQSA-N 1 0 385.516 2.519 20 0 GFADRO Cc1cc(N2CCC([NH2+]C(C)C)CC2)n2c3ccccc3nc2c1-c1nn[nH]n1 ZINC000737270196 598521560 /nfs/dbraw/zinc/52/15/60/598521560.db2.gz CAKVSYPZUIOLFL-UHFFFAOYSA-N 1 0 390.495 2.943 20 0 GFADRO Cc1cccc(C2(C[NH2+]C[C@@H]3CNc4c(-c5nn[nH]n5)cnn4C3)CCCC2)c1 ZINC000737389301 598529812 /nfs/dbraw/zinc/52/98/12/598529812.db2.gz KRZGIPJAYSEONC-MRXNPFEDSA-N 1 0 392.511 2.515 20 0 GFADRO CC(C)(C)OC(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1-c1nn[nH]n1 ZINC000735636586 598681169 /nfs/dbraw/zinc/68/11/69/598681169.db2.gz ZRIUNWXLEDMCIZ-OAHLLOKOSA-N 1 0 390.463 2.885 20 0 GFADRO O=C(CCCCOc1cccc(-c2nn[nH]n2)c1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000737832183 598691029 /nfs/dbraw/zinc/69/10/29/598691029.db2.gz FJXROOAJEGWXEU-GOSISDBHSA-N 1 0 398.511 2.503 20 0 GFADRO C[C@H](CC[NH+](C)C)NC(=O)c1cccc(Oc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000735984735 598700872 /nfs/dbraw/zinc/70/08/72/598700872.db2.gz CKUBNEHIZCQKQX-CQSZACIVSA-N 1 0 380.452 2.729 20 0 GFADRO C[C@H](C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)[N@@H+]1CC[C@H](c2ccco2)C1 ZINC000735550869 598703076 /nfs/dbraw/zinc/70/30/76/598703076.db2.gz MKSOWPPEVDYKFW-NEPJUHHUSA-N 1 0 386.843 2.930 20 0 GFADRO C[NH+](C)C1CCN(c2c(-c3nn[nH]n3)cnc3ccc(OC(F)F)cc32)CC1 ZINC000736765118 598722336 /nfs/dbraw/zinc/72/23/36/598722336.db2.gz UKDXQZLBJPFPKU-UHFFFAOYSA-N 1 0 389.410 2.547 20 0 GFADRO OCC1CC[NH+](Cc2ccccc2NCc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000738393034 598725058 /nfs/dbraw/zinc/72/50/58/598725058.db2.gz IBIGJUSBSNLZQZ-UHFFFAOYSA-N 1 0 378.480 2.683 20 0 GFADRO C[C@H](CNC(=O)Nc1ccc(F)c(-c2nn[nH]n2)c1)[N@H+](C)Cc1ccccc1 ZINC000736017117 598729814 /nfs/dbraw/zinc/72/98/14/598729814.db2.gz IHNXSMGUEQJTHK-CYBMUJFWSA-N 1 0 383.431 2.648 20 0 GFADRO CC(C)Oc1ccc(-c2nn[nH]n2)cc1NC(=O)N1CCC[C@H]1[C@@H]1CCC[N@@H+]1C ZINC000735905530 598760485 /nfs/dbraw/zinc/76/04/85/598760485.db2.gz KFJRUWUBPQBWCU-IRXDYDNUSA-N 1 0 399.499 2.744 20 0 GFADRO C[C@H]1C[N@H+](CCC(=O)Nc2sc3c(c2-c2nn[nH]n2)CCCC3)CCS1 ZINC000736284875 598767702 /nfs/dbraw/zinc/76/77/02/598767702.db2.gz HHHSCKMTXYJOJB-NSHDSACASA-N 1 0 392.554 2.573 20 0 GFADRO C[C@H](CN1CCOCC1)[N@H+](Cc1ccccc1)Cc1ccccc1-c1nn[nH]n1 ZINC000736009464 598809112 /nfs/dbraw/zinc/80/91/12/598809112.db2.gz GFYOIFGPXRWDJZ-GOSISDBHSA-N 1 0 392.507 2.590 20 0 GFADRO C[C@H](CNC(=O)Nc1ccc(-c2nn[nH]n2)c(C(F)(F)F)c1)[NH+]1CCCCC1 ZINC000820269075 599293942 /nfs/dbraw/zinc/29/39/42/599293942.db2.gz GSJIVCRVUPRCNN-LLVKDONJSA-N 1 0 397.405 2.881 20 0 GFADRO C[C@@H]([NH2+]C[C@@H](c1cccs1)N1CCOCC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000736130703 599306642 /nfs/dbraw/zinc/30/66/42/599306642.db2.gz IGJSFZBSROPVNO-PBHICJAKSA-N 1 0 384.509 2.652 20 0 GFADRO C[C@H](c1ccc(-c2nn[nH]n2)cc1)[NH+]1CCC(C(=O)NCc2ccccc2)CC1 ZINC000736198008 599307162 /nfs/dbraw/zinc/30/71/62/599307162.db2.gz OZIHCHRMSFKHNN-MRXNPFEDSA-N 1 0 390.491 2.956 20 0 GFADRO C[C@@H](c1ccc(-c2nn[nH]n2)cc1)[N@@H+]1CCN(C[C@@H](O)c2ccccc2)[C@H](C)C1 ZINC000736288343 599316837 /nfs/dbraw/zinc/31/68/37/599316837.db2.gz AQQNLKRJTSMTBH-LLGFUMIMSA-N 1 0 392.507 2.667 20 0 GFADRO C[C@H](c1ccc(-c2nn[nH]n2)cc1)[N@@H+]1CCN(C[C@H](O)c2ccccc2)[C@H](C)C1 ZINC000736288345 599317192 /nfs/dbraw/zinc/31/71/92/599317192.db2.gz AQQNLKRJTSMTBH-LZJOCLMNSA-N 1 0 392.507 2.667 20 0 GFADRO C[C@H]1CCC[N@@H+]1CCNC(=O)c1cccc(Oc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000736279131 599318151 /nfs/dbraw/zinc/31/81/51/599318151.db2.gz VQHJOGSAFAYKPN-HNNXBMFYSA-N 1 0 392.463 2.873 20 0 GFADRO CC[C@H](C(=O)Nc1ncc(Cc2ccc(-c3nn[nH]n3)cc2)s1)[NH+](CC)CC ZINC000736312538 599371502 /nfs/dbraw/zinc/37/15/02/599371502.db2.gz HUSYCOVPNIMOJA-MRXNPFEDSA-N 1 0 399.524 2.973 20 0 GFADRO COc1ccc2c(C[NH2+][C@@H](C)c3cccc(-c4nn[nH]n4)c3)cc(=O)oc2c1 ZINC000821849470 599387399 /nfs/dbraw/zinc/38/73/99/599387399.db2.gz JLWZUVLKDHPXNF-LBPRGKRZSA-N 1 0 377.404 2.833 20 0 GFADRO C[C@H]([NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1)C(=O)N1c2ccccc2C[C@H]1C ZINC000820414529 599388614 /nfs/dbraw/zinc/38/86/14/599388614.db2.gz YWTYGKKSNPKBIK-ILXRZTDVSA-N 1 0 376.464 2.884 20 0 GFADRO C[C@@H]([NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1)C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000820413634 599388680 /nfs/dbraw/zinc/38/86/80/599388680.db2.gz SUOLTTBLDGFRNL-ZAJRJVBHSA-N 1 0 394.523 2.991 20 0 GFADRO CC(=O)c1cccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2cccc(-c3nn[nH]n3)c2)c1 ZINC000819844416 599390429 /nfs/dbraw/zinc/39/04/29/599390429.db2.gz HLHAFCBJVWWBKX-QWHCGFSZSA-N 1 0 378.436 2.747 20 0 GFADRO Fc1ccc(-c2nn[nH]n2)cc1C[NH2+]Cc1ccc(Oc2cnccn2)cc1 ZINC000822761323 599394194 /nfs/dbraw/zinc/39/41/94/599394194.db2.gz IMRHCZMQTJVRQW-UHFFFAOYSA-N 1 0 377.383 2.878 20 0 GFADRO COc1ccc(C[NH2+]Cc2ccc(OCC(F)(F)F)nc2)cc1-c1nn[nH]n1 ZINC000821818500 599404689 /nfs/dbraw/zinc/40/46/89/599404689.db2.gz TVTUKGYTMMQVJJ-UHFFFAOYSA-N 1 0 394.357 2.501 20 0 GFADRO Cc1cccc(N2CC[NH+](CCCCNc3cccc(-c4nn[nH]n4)n3)CC2)c1 ZINC000737400541 599406956 /nfs/dbraw/zinc/40/69/56/599406956.db2.gz SPXFEPOFQBZARW-UHFFFAOYSA-N 1 0 392.511 2.584 20 0 GFADRO COc1ccc(C[NH2+]C[C@H](O)c2ccc3ccccc3c2)cc1-c1nn[nH]n1 ZINC000821809702 599434325 /nfs/dbraw/zinc/43/43/25/599434325.db2.gz QQPOFDRUDNDAGK-IBGZPJMESA-N 1 0 375.432 2.852 20 0 GFADRO O[C@H](COc1ccc(-c2nn[nH]n2)cc1)C[NH+]1CCC(c2ccccc2F)CC1 ZINC000738387291 599445810 /nfs/dbraw/zinc/44/58/10/599445810.db2.gz PKWCWKWPSRGZHK-KRWDZBQOSA-N 1 0 397.454 2.625 20 0 GFADRO CC(C)[C@H](CCO)[NH2+]Cc1cccc(OCc2ccccc2-c2nn[nH]n2)c1 ZINC000820020603 599451421 /nfs/dbraw/zinc/45/14/21/599451421.db2.gz ICNPTLRZZIRHGA-FQEVSTJZSA-N 1 0 381.480 2.942 20 0 GFADRO COc1ccc(C[NH2+][C@@H]2CCCN(c3ccc(C)cc3)C2)cc1-c1nn[nH]n1 ZINC000821804262 599454411 /nfs/dbraw/zinc/45/44/11/599454411.db2.gz KKHOWWREXAFKLJ-QGZVFWFLSA-N 1 0 378.480 2.942 20 0 GFADRO C[C@H]1C[C@@H](c2ccc(F)cc2)C[N@@H+]1CC(=O)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000736234768 599477503 /nfs/dbraw/zinc/47/75/03/599477503.db2.gz KIWNBGKPQYLDQG-XJKSGUPXSA-N 1 0 380.427 2.822 20 0 GFADRO O[C@H](COc1ccc(-c2nn[nH]n2)cc1)C[N@@H+]1CCCCC[C@@H]1c1ccco1 ZINC000738384954 599479562 /nfs/dbraw/zinc/47/95/62/599479562.db2.gz GWGHEDCVBTYAOQ-FUHWJXTLSA-N 1 0 383.452 2.817 20 0 GFADRO CC(C)OCc1ccccc1C[NH2+]Cc1cnc2ccc(-c3nn[nH]n3)cn12 ZINC000735903484 599482542 /nfs/dbraw/zinc/48/25/42/599482542.db2.gz GUYXFYONJYANOY-UHFFFAOYSA-N 1 0 377.452 2.729 20 0 GFADRO C[NH+](C)Cc1c2ccccc2oc1C(=O)NCc1cc(-c2nn[nH]n2)ccc1F ZINC000821587124 599489934 /nfs/dbraw/zinc/48/99/34/599489934.db2.gz HVRFVQMCOYYIBH-UHFFFAOYSA-N 1 0 394.410 2.744 20 0 GFADRO CC(C)COc1ccc(CC[NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)cc1 ZINC000735843860 599490021 /nfs/dbraw/zinc/49/00/21/599490021.db2.gz BYNSOCRKIAVOLS-UHFFFAOYSA-N 1 0 391.479 2.882 20 0 GFADRO c1ccc(CC[N@@H+]2CC[C@@H](CNc3c(-c4nn[nH]n4)cnc4ccccc43)C2)cc1 ZINC000823779347 599528241 /nfs/dbraw/zinc/52/82/41/599528241.db2.gz ATRYARPPDUXMQS-SFHVURJKSA-N 1 0 399.502 2.813 20 0 GFADRO Cc1cc(N2CC[N@@H+](C)C[C@H]2C(C)C)n2c3ccccc3nc2c1-c1nn[nH]n1 ZINC000737271432 599537623 /nfs/dbraw/zinc/53/76/23/599537623.db2.gz LAYCPXBPZJJDBQ-KRWDZBQOSA-N 1 0 390.495 2.752 20 0 GFADRO CC[C@H]1CCCC[N@@H+]1CCNc1c(-c2nn[nH]n2)cnc2c(F)ccc(F)c21 ZINC000820982053 599554999 /nfs/dbraw/zinc/55/49/99/599554999.db2.gz ZORHRSDNJNRQBI-LBPRGKRZSA-N 1 0 387.438 2.791 20 0 GFADRO Cc1ccc(NC(=O)C=Cc2ccccc2-c2nn[nH]n2)c(OCC[NH+](C)C)c1 ZINC000737357402 599558168 /nfs/dbraw/zinc/55/81/68/599558168.db2.gz YQKPDCDISBNPOS-LUAWRHEFSA-N 1 0 392.463 2.767 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)c1cccc(Nc2ccc(-c3nn[nH]n3)cc2)c1)C1CC1 ZINC000736757830 599564835 /nfs/dbraw/zinc/56/48/35/599564835.db2.gz FIAOZTKVHVBIEA-LJQANCHMSA-N 1 0 391.479 2.680 20 0 GFADRO c1ccc(COC[C@@H]2CC[N@@H+](CCOc3ccccc3-c3nn[nH]n3)C2)cc1 ZINC000823786993 599584281 /nfs/dbraw/zinc/58/42/81/599584281.db2.gz HBDIBCHNFBBFHR-GOSISDBHSA-N 1 0 379.464 2.784 20 0 GFADRO Cc1ccccc1[C@@H]1C[C@H](C)[N@@H+]([C@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000737424957 599585668 /nfs/dbraw/zinc/58/56/68/599585668.db2.gz ZUPGQJDOQCTLRZ-YJLNNSPDSA-N 1 0 376.464 2.580 20 0 GFADRO CN(C[C@H]1CCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1F)C(=O)OC(C)(C)C ZINC000821596482 599591684 /nfs/dbraw/zinc/59/16/84/599591684.db2.gz LGEBASIRNODITE-OAHLLOKOSA-N 1 0 390.463 2.837 20 0 GFADRO CCS[C@H]1CC[C@H]([N@H+](C)CCOc2ccc(-c3nn[nH]n3)cc2OC)C1 ZINC000821449823 599592564 /nfs/dbraw/zinc/59/25/64/599592564.db2.gz XVFCLTKQEXENNP-GJZGRUSLSA-N 1 0 377.514 2.860 20 0 GFADRO O=C(c1ccc(F)cc1)[C@@H]1CCC[N@H+](CCOc2cccc(-c3nn[nH]n3)c2)C1 ZINC000738268892 599593119 /nfs/dbraw/zinc/59/31/19/599593119.db2.gz VHERAOPQZVTJBE-QGZVFWFLSA-N 1 0 395.438 2.980 20 0 GFADRO Cc1nc(C)c([C@H](C)[N@H+](C)CCC(=O)Nc2cccc(-c3nn[nH]n3)c2)s1 ZINC000822427435 599637921 /nfs/dbraw/zinc/63/79/21/599637921.db2.gz NVWFMCFRYVKHDP-LBPRGKRZSA-N 1 0 385.497 2.962 20 0 GFADRO CCC[N@H+](CCC(=O)Nc1cccc(-c2nn[nH]n2)c1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000821094788 599639278 /nfs/dbraw/zinc/63/92/78/599639278.db2.gz QOGCJWFCTKVKDI-QRQLOZEOSA-N 1 0 398.511 2.721 20 0 GFADRO CC[C@](C)([NH2+]CCC(=O)Nc1sccc1-c1nn[nH]n1)c1nccs1 ZINC000820854320 599639331 /nfs/dbraw/zinc/63/93/31/599639331.db2.gz UFMSBVGNSTYPIP-HNNXBMFYSA-N 1 0 377.499 2.628 20 0 GFADRO O=C(CC[N@H+](C[C@@H]1CCCO1)C1CCCC1)Nc1cccc(-c2nn[nH]n2)c1 ZINC000822964224 599641927 /nfs/dbraw/zinc/64/19/27/599641927.db2.gz GJPBYEGXJHLIBH-SFHVURJKSA-N 1 0 384.484 2.619 20 0 GFADRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N[C@@H](C)c1cccc(-c2nn[nH]n2)c1 ZINC000820650607 599672437 /nfs/dbraw/zinc/67/24/37/599672437.db2.gz VZZDPPKKOBRFIL-QXSJWSMHSA-N 1 0 385.516 2.593 20 0 GFADRO CC[NH+](CC)[C@H](CNC(=O)N[C@@H](C)c1cccc(-c2nn[nH]n2)c1)c1ccco1 ZINC000821182184 599673547 /nfs/dbraw/zinc/67/35/47/599673547.db2.gz SGNSPWUEGGLTEX-WMLDXEAASA-N 1 0 397.483 2.903 20 0 GFADRO CC[NH+]1CCC(CCNC(=O)N(Cc2ccc(-c3nn[nH]n3)cc2)C2CC2)CC1 ZINC000821241484 599677039 /nfs/dbraw/zinc/67/70/39/599677039.db2.gz NVOISBPNGMKUEL-UHFFFAOYSA-N 1 0 397.527 2.663 20 0 GFADRO Clc1ccc(N2CCC(OCC[NH+]3CCCC3)CC2)c(-c2nn[nH]n2)c1 ZINC000822574130 599689115 /nfs/dbraw/zinc/68/91/15/599689115.db2.gz OZKUQCYIXBZMAE-UHFFFAOYSA-N 1 0 376.892 2.601 20 0 GFADRO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)Nc1ccc(Oc2cccc(-c3nn[nH]n3)c2)nc1 ZINC000820683924 599697058 /nfs/dbraw/zinc/69/70/58/599697058.db2.gz JNNDKVJYRJSLEA-ZIAGYGMSSA-N 1 0 393.451 2.865 20 0 GFADRO CC[NH+](CC)[C@@H]1CCN(C(=O)Nc2ccc(OC(C)C)c(-c3nn[nH]n3)c2)C1 ZINC000821180990 607435407 /nfs/dbraw/zinc/43/54/07/607435407.db2.gz IKZCRJTYWMVYBQ-OAHLLOKOSA-N 1 0 387.488 2.602 20 0 GFADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)NC2(c3cccc(-c4nn[nH]n4)c3)CC2)C1 ZINC000824877348 607449730 /nfs/dbraw/zinc/44/97/30/607449730.db2.gz XOTVTCWOSXTUHJ-IYBDPMFKSA-N 1 0 397.527 2.523 20 0 GFADRO O=C([O-])[C@H]([NH2+]CC1CC[NH+](C[C@H](O)c2ccccc2)CC1)c1ccccc1F ZINC000833167611 600749791 /nfs/dbraw/zinc/74/97/91/600749791.db2.gz ORWNERHIVLSUFC-LEWJYISDSA-N 1 0 386.467 2.987 20 0 GFADRO CCOC(=O)C(F)(F)[C@H]1CCC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC000821319248 607466431 /nfs/dbraw/zinc/46/64/31/607466431.db2.gz CKWYEGHBZSHUAC-KBPBESRZSA-N 1 0 397.401 2.853 20 0 GFADRO Fc1cc(-c2nn[nH]n2)ccc1C[NH2+]CCc1cc(Cl)c2c(c1)OCCO2 ZINC000822744559 607472548 /nfs/dbraw/zinc/47/25/48/607472548.db2.gz WIBHIWHKRHVTIQ-UHFFFAOYSA-N 1 0 389.818 2.763 20 0 GFADRO C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@@H+]1Cc1cc(F)ccc1-c1nn[nH]n1 ZINC000824894572 607474482 /nfs/dbraw/zinc/47/44/82/607474482.db2.gz YVWUOJYEQYETBV-WFASDCNBSA-N 1 0 390.463 2.883 20 0 GFADRO c1cc(-c2nn[nH]n2)ccc1OCCC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C2CC2)C1 ZINC000826514045 607478669 /nfs/dbraw/zinc/47/86/69/607478669.db2.gz FQKYQMYPQOQKDG-FXAWDEMLSA-N 1 0 382.512 2.584 20 0 GFADRO CC(C)(C)OC(=O)NC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC000819939584 607482833 /nfs/dbraw/zinc/48/28/33/607482833.db2.gz GTQQOIDIZSEDGU-HOCLYGCPSA-N 1 0 390.463 2.789 20 0 GFADRO OC1CC[NH+](Cc2cccc(NCc3ccc(-c4nn[nH]n4)cc3F)c2)CC1 ZINC000823707047 607482966 /nfs/dbraw/zinc/48/29/66/607482966.db2.gz VNMSBUCUSMRRQO-UHFFFAOYSA-N 1 0 382.443 2.575 20 0 GFADRO OC1CC[NH+](Cc2ccc(NCc3ccc(-c4nn[nH]n4)cc3F)cc2)CC1 ZINC000823706870 607483064 /nfs/dbraw/zinc/48/30/64/607483064.db2.gz QKXHSSCQPHGWFW-UHFFFAOYSA-N 1 0 382.443 2.575 20 0 GFADRO Fc1cc(-c2nn[nH]n2)ccc1C[NH2+]CCOc1ncc(Cl)cc1Cl ZINC000822744409 607487720 /nfs/dbraw/zinc/48/77/20/607487720.db2.gz SDVFVYYQYWCJTO-UHFFFAOYSA-N 1 0 383.214 2.876 20 0 GFADRO Cc1ccc(-c2nn[nH]n2)cc1NC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000822217312 607508062 /nfs/dbraw/zinc/50/80/62/607508062.db2.gz ARZPJPKMIXKHEF-MAUKXSAKSA-N 1 0 381.484 2.656 20 0 GFADRO CCN(C[C@H]1CC[N@H+](Cc2ccc(OC)c(-c3nn[nH]n3)c2)C1)CC(F)(F)F ZINC000825417188 607509821 /nfs/dbraw/zinc/50/98/21/607509821.db2.gz PDRWIUFYSLEGBS-CQSZACIVSA-N 1 0 398.433 2.581 20 0 GFADRO COc1ccc(-c2nn[nH]n2)cc1C[N@@H+]1CCC[C@@H](c2noc(C(C)C)n2)C1 ZINC000826183326 607524719 /nfs/dbraw/zinc/52/47/19/607524719.db2.gz MFEHUNNYRUZFJS-CQSZACIVSA-N 1 0 383.456 2.761 20 0 GFADRO c1oc2ccccc2c1C[NH2+]C1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1 ZINC000826522550 607566725 /nfs/dbraw/zinc/56/67/25/607566725.db2.gz GPNIGCVQXAAQEX-UHFFFAOYSA-N 1 0 375.436 2.767 20 0 GFADRO COc1ccc(-c2nn[nH]n2)cc1C[N@@H+]1CCCC[C@H]1[C@@H](O)c1ccccc1 ZINC000826183338 607663071 /nfs/dbraw/zinc/66/30/71/607663071.db2.gz MMYHOMKYPSDBDY-ICSRJNTNSA-N 1 0 379.464 2.963 20 0 GFADRO Cc1cc(-c2nn[nH]n2)ccc1C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000826245164 607683051 /nfs/dbraw/zinc/68/30/51/607683051.db2.gz PJEXNWPQWMORNS-QGZVFWFLSA-N 1 0 382.512 2.903 20 0 GFADRO Cc1cc(-c2nn[nH]n2)ccc1C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000826248243 607691262 /nfs/dbraw/zinc/69/12/62/607691262.db2.gz AJMGPBDKEAPMRH-SFHVURJKSA-N 1 0 376.464 2.570 20 0 GFADRO COc1cc(OC)cc([C@H](C(=O)[O-])[N@@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)c1 ZINC000832040199 604465199 /nfs/dbraw/zinc/46/51/99/604465199.db2.gz ACSPSXPMTKNALW-MGPUTAFESA-N 1 0 385.464 2.967 20 0 GFADRO C[C@H](c1ccncc1)N1CCC([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)CC1 ZINC000824779341 607707306 /nfs/dbraw/zinc/70/73/06/607707306.db2.gz UOFYBTDVBAXQDQ-CQSZACIVSA-N 1 0 381.459 2.716 20 0 GFADRO c1c2c(nc(N3CCC(CCC[NH+]4CCCC4)CC3)c1-c1nn[nH]n1)CCC2 ZINC000826512053 607734865 /nfs/dbraw/zinc/73/48/65/607734865.db2.gz NAIDMMFVPYOOIH-UHFFFAOYSA-N 1 0 381.528 2.843 20 0 GFADRO C[C@H]([NH2+]C1(CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)CCCC1)c1ccccc1 ZINC000824540305 607738681 /nfs/dbraw/zinc/73/86/81/607738681.db2.gz VXWSQKZLBGLPFF-AWEZNQCLSA-N 1 0 379.468 2.588 20 0 GFADRO CC(C)(C)c1ccc(C(C)(C)[NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)cc1 ZINC000824136724 607751706 /nfs/dbraw/zinc/75/17/06/607751706.db2.gz VLZFZGBJDQGOSD-AWEZNQCLSA-N 1 0 394.527 2.927 20 0 GFADRO C[C@@H](C[C@@H]1CCCN1C(=O)[O-])[NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000824767230 605500396 /nfs/dbraw/zinc/50/03/96/605500396.db2.gz HHRBAFBGUAKWNZ-LPHOPBHVSA-N 1 0 375.513 2.654 20 0 GFADRO CC(C)c1nsc(N2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)n1 ZINC000820211405 606060992 /nfs/dbraw/zinc/06/09/92/606060992.db2.gz LTWYXJBCICCXDK-UHFFFAOYSA-N 1 0 384.513 2.554 20 0 GFADRO CCSCC[C@H](C)[N@H+](C)CC(=O)Nc1sc(C)c(C)c1-c1nn[nH]n1 ZINC000821455258 606115967 /nfs/dbraw/zinc/11/59/67/606115967.db2.gz IYEPDGBODLZMNN-JTQLQIEISA-N 1 0 382.559 2.947 20 0 GFADRO O[C@@H](C[C@H]1CCC[N@@H+]1CCOc1cccc(-c2nn[nH]n2)c1)c1cccs1 ZINC000823673729 606187363 /nfs/dbraw/zinc/18/73/63/606187363.db2.gz MXDYDAIXZWRGQQ-WBVHZDCISA-N 1 0 385.493 2.895 20 0 GFADRO O[C@@H](C[C@@H]1CCC[N@@H+]1CCOc1cccc(-c2nn[nH]n2)c1)c1cccs1 ZINC000823673728 606187588 /nfs/dbraw/zinc/18/75/88/606187588.db2.gz MXDYDAIXZWRGQQ-RDJZCZTQSA-N 1 0 385.493 2.895 20 0 GFADRO CC(C)C[C@H]1CCCCC[N@@H+]1CCS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000820061498 606188705 /nfs/dbraw/zinc/18/87/05/606188705.db2.gz DLIMIVVCPNRWTJ-QGZVFWFLSA-N 1 0 391.541 2.931 20 0 GFADRO C[C@H](Oc1ccc(-c2nn[nH]n2)cc1)C(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000820526683 606189189 /nfs/dbraw/zinc/18/91/89/606189189.db2.gz JLCFOYWETQWNAX-ZLPCBKJTSA-N 1 0 398.511 2.547 20 0 GFADRO C[C@H]([NH2+]Cc1cc(-c2nn[nH]n2)cs1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000820427467 606215214 /nfs/dbraw/zinc/21/52/14/606215214.db2.gz REUCCJRRKKUHQI-ZDUSSCGKSA-N 1 0 397.508 2.645 20 0 GFADRO Cn1cc(-c2nn[nH]n2)cc1C(=O)Nc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000822649652 606284154 /nfs/dbraw/zinc/28/41/54/606284154.db2.gz HENGPDFSSKQVIB-UHFFFAOYSA-N 1 0 379.468 2.834 20 0 GFADRO O=S(=O)(CC[NH2+]CC1CCCCCCC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823561156 606309630 /nfs/dbraw/zinc/30/96/30/606309630.db2.gz ALBWWUWDFKUQHP-UHFFFAOYSA-N 1 0 377.514 2.591 20 0 GFADRO COC(=O)[C@H](c1cccc(-c2nn[nH]n2)c1)[N@@H+]1C[C@H](c2ccccc2)C[C@H]1C ZINC000821649719 606322313 /nfs/dbraw/zinc/32/23/13/606322313.db2.gz BUAQMICPOUJAHE-ZMYBRWDISA-N 1 0 377.448 2.959 20 0 GFADRO COC(=O)[C@H](c1ccc(-c2nn[nH]n2)cc1)[N@@H+]1CC[C@H](c2ccccc2)[C@@H]1C ZINC000821649973 606336227 /nfs/dbraw/zinc/33/62/27/606336227.db2.gz HLRLFRWOIVTIEU-JVPBZIDWSA-N 1 0 377.448 2.959 20 0 GFADRO CC1CCC([NH+]2CCN(C(=O)Nc3ccc(F)cc3-c3nn[nH]n3)CC2)CC1 ZINC000820690675 606348757 /nfs/dbraw/zinc/34/87/57/606348757.db2.gz PYANIJIIACFXRP-UHFFFAOYSA-N 1 0 387.463 2.734 20 0 GFADRO Cc1oc(-n2cccc2)c(-c2nn[nH]n2)c1C(=O)NCCC[NH+]1CCCCCC1 ZINC000822541271 606406176 /nfs/dbraw/zinc/40/61/76/606406176.db2.gz MROHZBYDUJDVLF-UHFFFAOYSA-N 1 0 397.483 2.555 20 0 GFADRO Cc1c[nH+]ccc1N1CCC(C(=O)N[C@@H](C)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000822399400 606415100 /nfs/dbraw/zinc/41/51/00/606415100.db2.gz GPBMDTANOAHIKL-HNNXBMFYSA-N 1 0 391.479 2.664 20 0 GFADRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)Nc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000821622078 606435167 /nfs/dbraw/zinc/43/51/67/606435167.db2.gz RFYMLFGURAHBJG-UHFFFAOYSA-N 1 0 391.479 2.995 20 0 GFADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc(-c3nn[nH]n3)c(C(F)(F)F)c2)C1 ZINC000821160596 606437028 /nfs/dbraw/zinc/43/70/28/606437028.db2.gz NIBQGBHSTRBWIA-NSHDSACASA-N 1 0 397.405 2.691 20 0 GFADRO COc1ccc([C@@H]2[C@H](COC(=O)c3cc(-c4nn[nH]n4)cs3)CC[N@@H+]2C)cc1 ZINC000821782236 606466872 /nfs/dbraw/zinc/46/68/72/606466872.db2.gz BSRXSXSGYZHFQU-SUMWQHHRSA-N 1 0 399.476 2.787 20 0 GFADRO C[C@H]1C[N@H+](CCC(=O)Nc2sc3c(c2-c2nn[nH]n2)CC[C@@H](C)C3)C[C@H]1C ZINC000820727945 606504097 /nfs/dbraw/zinc/50/40/97/606504097.db2.gz QVKAUBRQKWSELH-UPJWGTAASA-N 1 0 388.541 2.969 20 0 GFADRO Cn1c2ccccc2nc1[C@H]1CCC[N@@H+]1CCOc1ccccc1-c1nn[nH]n1 ZINC000822596487 606521966 /nfs/dbraw/zinc/52/19/66/606521966.db2.gz LVQKKQWNWZHHBV-GOSISDBHSA-N 1 0 389.463 2.969 20 0 GFADRO O=C(Cc1cccc(-c2nn[nH]n2)c1)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000823097768 606538208 /nfs/dbraw/zinc/53/82/08/606538208.db2.gz AURCCZYEBRWPKY-HXUWFJFHSA-N 1 0 390.491 2.580 20 0 GFADRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1cc(-c2nn[nH]n2)cs1 ZINC000820758826 606538230 /nfs/dbraw/zinc/53/82/30/606538230.db2.gz DLCJVJZAZAFKNO-CJNGLKHVSA-N 1 0 382.493 2.569 20 0 GFADRO C[C@@H](C(=O)OCc1ccc(-c2nn[nH]n2)cc1OC(F)F)[NH+]1CCCCCC1 ZINC000819882551 606560009 /nfs/dbraw/zinc/56/00/09/606560009.db2.gz BJGPFGWLNLYAPX-LBPRGKRZSA-N 1 0 395.410 2.776 20 0 GFADRO O=C(NCc1ccccc1C[NH+]1CCCC1)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000823261390 606663426 /nfs/dbraw/zinc/66/34/26/606663426.db2.gz KKBPKDWPXUDLAX-UHFFFAOYSA-N 1 0 398.417 2.671 20 0 GFADRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)C1 ZINC000820570510 606672391 /nfs/dbraw/zinc/67/23/91/606672391.db2.gz LEPXTXIVZNAIOK-IUODEOHRSA-N 1 0 398.417 2.710 20 0 GFADRO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)C1 ZINC000820648554 606672480 /nfs/dbraw/zinc/67/24/80/606672480.db2.gz BSMXSAHAVXBCLR-RYUDHWBXSA-N 1 0 392.454 2.631 20 0 GFADRO O=C(NC1CC[NH+](CC2CCCC2)CC1)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000823150807 606675560 /nfs/dbraw/zinc/67/55/60/606675560.db2.gz SYPGSDVFXMGTCA-UHFFFAOYSA-N 1 0 390.438 2.529 20 0 GFADRO CC[NH+](CC)[C@@H](CNC(=O)c1c(F)cc(-c2nn[nH]n2)cc1F)CC(C)C ZINC000821182768 606682503 /nfs/dbraw/zinc/68/25/03/606682503.db2.gz ZBOYDVMHBDBDGI-CYBMUJFWSA-N 1 0 380.443 2.631 20 0 GFADRO C[C@@H]([NH2+][C@@H]1CCN(c2c(F)cccc2F)C1=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000820414349 606711752 /nfs/dbraw/zinc/71/17/52/606711752.db2.gz XXZADDQTQFMXDE-BDJLRTHQSA-N 1 0 384.390 2.601 20 0 GFADRO C[C@@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@@H+]1Cc1csc2ccccc12 ZINC000820804784 606783344 /nfs/dbraw/zinc/78/33/44/606783344.db2.gz ZNYSZABRAIXDME-CYBMUJFWSA-N 1 0 392.492 2.582 20 0 GFADRO C[C@H]([NH2+]C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1)c1ccc(OC(F)F)cc1 ZINC000820419562 606850199 /nfs/dbraw/zinc/85/01/99/606850199.db2.gz IDMDAXWRZBJXBI-MEDUHNTESA-N 1 0 375.379 2.852 20 0 GFADRO C[C@H]([NH2+]C[C@H](O)c1ccc(-c2nn[nH]n2)cc1)c1ccc(NC(=O)C2CC2)cc1 ZINC000820419552 606852207 /nfs/dbraw/zinc/85/22/07/606852207.db2.gz ICJMNIOFPXXYCT-DJJJIMSYSA-N 1 0 392.463 2.599 20 0 GFADRO C[N@@H+](Cc1cc(Br)cs1)C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821607248 606854148 /nfs/dbraw/zinc/85/41/48/606854148.db2.gz FXSJIPUSGPHNND-CQSZACIVSA-N 1 0 394.298 2.856 20 0 GFADRO C[N@H+](CCCOc1ccc(Cl)cc1)C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821600327 606856035 /nfs/dbraw/zinc/85/60/35/606856035.db2.gz HZEOTJHEIXBAOG-GOSISDBHSA-N 1 0 387.871 2.954 20 0 GFADRO O[C@@H](C[N@@H+](Cc1ccccc1)C[C@H]1CCCO1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823675412 606858132 /nfs/dbraw/zinc/85/81/32/606858132.db2.gz WSWQNXGPRLKLAZ-UXHICEINSA-N 1 0 379.464 2.581 20 0 GFADRO C[C@@H]1C[C@@H](Nc2c3ccccc3nnc2-c2nn[nH]n2)C[N@@H+]1Cc1ccccc1 ZINC000820664501 606876520 /nfs/dbraw/zinc/87/65/20/606876520.db2.gz AWVFKLDHJFCHJI-GDBMZVCRSA-N 1 0 386.463 2.885 20 0 GFADRO C[C@@H]1CO[C@H](c2ccccc2)[C@H](C)[N@@H+]1C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000820804306 606897085 /nfs/dbraw/zinc/89/70/85/606897085.db2.gz QAOZFHXRINFBPQ-ITKAJJHTSA-N 1 0 379.464 2.751 20 0 GFADRO Cc1ccccc1[C@@H]1C[N@H+](C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)[C@@H](C)CO1 ZINC000822351755 606903891 /nfs/dbraw/zinc/90/38/91/606903891.db2.gz PWMNTOFYQLSXGY-YSSFQJQWSA-N 1 0 379.464 2.671 20 0 GFADRO C[C@H]1C[C@@H](NC(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)C[N@@H+]1Cc1ccccc1 ZINC000820659046 606904074 /nfs/dbraw/zinc/90/40/74/606904074.db2.gz VUPUOAULNXZSOW-SWLSCSKDSA-N 1 0 398.417 2.538 20 0 GFADRO c1ccc(-c2nn[nH]n2)c(CSCC[NH2+]Cc2ccc(N3CCCC3)nc2)c1 ZINC000823773571 606948569 /nfs/dbraw/zinc/94/85/69/606948569.db2.gz WDFGKPOVXAXIRO-UHFFFAOYSA-N 1 0 395.536 2.885 20 0 GFADRO CC(C)c1cnc(CN(C)[C@@H]2CC[N@H+](Cc3ccc(F)c(-c4nn[nH]n4)c3)C2)o1 ZINC000820197481 606976310 /nfs/dbraw/zinc/97/63/10/606976310.db2.gz JUNXBHDJBZMFAE-OAHLLOKOSA-N 1 0 399.474 2.824 20 0 GFADRO C[N@@H+]1CCC[C@@H]2CN(C(=S)Nc3ccc(-c4nn[nH]n4)c(Cl)c3)CC[C@@H]21 ZINC000821625169 606979186 /nfs/dbraw/zinc/97/91/86/606979186.db2.gz GWSSXTGNAIYOGA-ABAIWWIYSA-N 1 0 391.932 2.633 20 0 GFADRO CC[C@@H]([NH2+]C1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1)c1ccc(OC)cc1 ZINC000820925092 607046409 /nfs/dbraw/zinc/04/64/09/607046409.db2.gz DCJRCFGMYXMIHO-LJQANCHMSA-N 1 0 393.495 2.980 20 0 GFADRO Cc1cccc([C@H]2CCC[N@@H+]2CCC(=O)Nc2ccc(-c3nn[nH]n3)cc2)n1 ZINC000822299755 607104927 /nfs/dbraw/zinc/10/49/27/607104927.db2.gz UFNIWDMHWSOYEP-GOSISDBHSA-N 1 0 377.452 2.736 20 0 GFADRO CCC1(CC)[C@@H](OC)C[C@@H]1[N@H+](C)CCC(=O)Nc1sccc1-c1nn[nH]n1 ZINC000820957798 607106133 /nfs/dbraw/zinc/10/61/33/607106133.db2.gz QDXSPCSPAXWJRH-KBPBESRZSA-N 1 0 392.529 2.782 20 0 GFADRO C[C@H]1C[NH+](CCCCNc2cc(-c3nn[nH]n3)c3ccccc3n2)C[C@H](C)O1 ZINC000820758693 607173701 /nfs/dbraw/zinc/17/37/01/607173701.db2.gz BLUBNIHVRAMGLU-GJZGRUSLSA-N 1 0 381.484 2.716 20 0 GFADRO C[C@@H]([NH2+]CCS(=O)(=O)c1cccc(-c2nn[nH]n2)c1)c1cccc(Cl)c1 ZINC000824600356 607814422 /nfs/dbraw/zinc/81/44/22/607814422.db2.gz YVXGKIQSFKLNJQ-GFCCVEGCSA-N 1 0 391.884 2.645 20 0 GFADRO O=S(=O)(CC[NH2+]CCCC1CCCCC1)c1cccc(-c2nn[nH]n2)c1 ZINC000826485288 607815713 /nfs/dbraw/zinc/81/57/13/607815713.db2.gz JVPNCWVAYPIIDW-UHFFFAOYSA-N 1 0 377.514 2.591 20 0 GFADRO CC[C@H](C)[C@H]1CCCC[N@@H+]1CCS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000825061198 607816252 /nfs/dbraw/zinc/81/62/52/607816252.db2.gz WVZUJWBZSICGSL-WMLDXEAASA-N 1 0 377.514 2.541 20 0 GFADRO CC[C@H]([NH2+]Cc1ccc(-c2nn[nH]n2)s1)[C@@H](c1ccc(C)cc1)n1cncn1 ZINC000825140640 607911406 /nfs/dbraw/zinc/91/14/06/607911406.db2.gz LLYIFQGLYMHFIK-FUHWJXTLSA-N 1 0 394.508 2.986 20 0 GFADRO O=C(C1CC[NH+](Cc2ccccc2)CC1)N1CCc2ccc(-c3nn[nH]n3)cc21 ZINC000826399125 607953417 /nfs/dbraw/zinc/95/34/17/607953417.db2.gz NEHXWBKIROEGFV-UHFFFAOYSA-N 1 0 388.475 2.668 20 0 GFADRO O=C(CC[NH+]1CC(Cc2ccc(F)cc2)C1)Nc1sccc1-c1nn[nH]n1 ZINC000826406901 608037466 /nfs/dbraw/zinc/03/74/66/608037466.db2.gz SAURMJYGFSOXTI-UHFFFAOYSA-N 1 0 386.456 2.570 20 0 GFADRO c1ccc2sc(C3C[NH+](CCOc4ccccc4-c4nn[nH]n4)C3)nc2c1 ZINC000826520036 608088080 /nfs/dbraw/zinc/08/80/80/608088080.db2.gz YPIIPBVBVUQYJP-UHFFFAOYSA-N 1 0 378.461 2.955 20 0 GFADRO O=C1[C@H]([NH2+]Cc2cc(-c3nn[nH]n3)cs2)CCN1c1ccc(Cl)c(F)c1 ZINC000826476726 608114244 /nfs/dbraw/zinc/11/42/44/608114244.db2.gz NJMOBBLNRBYBQN-CQSZACIVSA-N 1 0 392.847 2.616 20 0 GFADRO O=C1OCC[C@H]2C[N@H+](Cc3ccc(-c4ccccc4-c4nn[nH]n4)cc3)CCN12 ZINC000826483413 608168861 /nfs/dbraw/zinc/16/88/61/608168861.db2.gz MQQZMNWZMOTDTI-KRWDZBQOSA-N 1 0 390.447 2.560 20 0 GFADRO c1cc(-c2nn[nH]n2)ccc1C[N@H+]1CC=C(c2ccc3c(c2)OCCO3)CC1 ZINC000823867780 608208323 /nfs/dbraw/zinc/20/83/23/608208323.db2.gz HXZWUMYTFUIDRV-UHFFFAOYSA-N 1 0 375.432 2.927 20 0 GFADRO C[C@@H]1C[N@@H+](CCCCNc2ccc3cc(-c4nn[nH]n4)ccc3n2)C[C@H](C)O1 ZINC000824985890 608231575 /nfs/dbraw/zinc/23/15/75/608231575.db2.gz ZKUJRUXZRBEHPR-GASCZTMLSA-N 1 0 381.484 2.716 20 0 GFADRO COc1cc(F)c([C@@H](C)[NH2+]CCOc2ccc(-c3nn[nH]n3)cc2)cc1OC ZINC000826179971 608280420 /nfs/dbraw/zinc/28/04/20/608280420.db2.gz NHDWJEUEGKPFDY-GFCCVEGCSA-N 1 0 387.415 2.753 20 0 GFADRO COc1cc(C)c([C@@H](C)[NH2+]CCOc2ccc(-c3nn[nH]n3)cc2)cc1OC ZINC000826178074 608283308 /nfs/dbraw/zinc/28/33/08/608283308.db2.gz IVXGDAYAVSSVKY-CQSZACIVSA-N 1 0 383.452 2.922 20 0 GFADRO O=C1Nc2ccccc2C12CCC([NH2+]Cc1cc(-c3nn[nH]n3)ccc1F)CC2 ZINC000826483402 608285146 /nfs/dbraw/zinc/28/51/46/608285146.db2.gz MLAUJSHPOYPIFU-UHFFFAOYSA-N 1 0 392.438 2.928 20 0 GFADRO CCc1ccccc1NC(=O)C[C@H](C)[NH2+]Cc1ccc(OC)c(-c2nn[nH]n2)c1 ZINC000825722715 608286126 /nfs/dbraw/zinc/28/61/26/608286126.db2.gz KLROKZTXSZLMPU-AWEZNQCLSA-N 1 0 394.479 2.945 20 0 GFADRO COC(=O)[C@@H](C)C[N@H+](Cc1ccccc1)Cc1ccc(-c2nn[nH]n2)cc1OC ZINC000826104146 608357914 /nfs/dbraw/zinc/35/79/14/608357914.db2.gz QMWSZUOJGGAPLU-HNNXBMFYSA-N 1 0 395.463 2.687 20 0 GFADRO COc1cc(-c2nn[nH]n2)ccc1C[N@@H+]1CC[C@@](O)(Cc2cccc(Cl)c2)C1 ZINC000826168505 608379214 /nfs/dbraw/zinc/37/92/14/608379214.db2.gz POMQEXVLJJKDMM-HXUWFJFHSA-N 1 0 399.882 2.708 20 0 GFADRO COc1ccc([C@@](C)(O)[C@@H]2CCC[N@@H+]2Cc2cccc(-c3nn[nH]n3)c2F)cc1 ZINC000826188067 608418322 /nfs/dbraw/zinc/41/83/22/608418322.db2.gz MVFMDXGNNIFANN-GHTZIAJQSA-N 1 0 397.454 2.887 20 0 GFADRO COc1cc([C@@H](C)[NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)cc(OC)c1OC ZINC000826177511 608449843 /nfs/dbraw/zinc/44/98/43/608449843.db2.gz LJKFILWBQBMTPV-LLVKDONJSA-N 1 0 387.415 2.882 20 0 GFADRO OC[C@@H]([NH2+]Cc1ccc(-c2nn[nH]n2)s1)c1ccc(Br)cc1 ZINC000826508608 608451644 /nfs/dbraw/zinc/45/16/44/608451644.db2.gz VWPAONZQNYQNHZ-GFCCVEGCSA-N 1 0 380.271 2.514 20 0 GFADRO C[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2OC(F)F)C[C@H]1n1ccnc1 ZINC000824954396 608452413 /nfs/dbraw/zinc/45/24/13/608452413.db2.gz JVTJNXYLTPANMQ-IUODEOHRSA-N 1 0 389.410 2.748 20 0 GFADRO CC[C@H]([NH2+]Cc1ccc(-c2nn[nH]n2)cc1OC)c1ccc2c(c1)OCCO2 ZINC000825139751 608470148 /nfs/dbraw/zinc/47/01/48/608470148.db2.gz HRHUFCIXBUZEPI-INIZCTEOSA-N 1 0 381.436 2.887 20 0 GFADRO Cc1ccc(C)c(OC[C@H](O)C[NH2+][C@@H](C)c2cccc(-c3nn[nH]n3)c2)c1C ZINC000826284774 608481190 /nfs/dbraw/zinc/48/11/90/608481190.db2.gz FDXXTKAKBXPUKI-QFBILLFUSA-N 1 0 381.480 2.882 20 0 GFADRO Cc1ccc(CN(C(=O)C[NH2+][C@@H](C)c2cccc(-c3nn[nH]n3)c2)C2CC2)o1 ZINC000826287383 608482871 /nfs/dbraw/zinc/48/28/71/608482871.db2.gz MQIYCPYEEOTNRZ-AWEZNQCLSA-N 1 0 380.452 2.610 20 0 GFADRO C[C@@H]([NH2+]CC(=O)N1c2ccccc2CC[C@@H]1C)c1cccc(-c2nn[nH]n2)c1 ZINC000824553792 608489060 /nfs/dbraw/zinc/48/90/60/608489060.db2.gz IATSZRMNVKZUHJ-LSDHHAIUSA-N 1 0 376.464 2.885 20 0 GFADRO O=S(=O)(CCC[NH2+][C@@H]1CCCc2cc(-c3nn[nH]n3)ccc21)c1ccccc1 ZINC000826484675 608505861 /nfs/dbraw/zinc/50/58/61/608505861.db2.gz LACCOHNEOJRXMU-LJQANCHMSA-N 1 0 397.504 2.698 20 0 GFADRO O=C1[C@@H]([NH2+][C@@H]2CCCc3cc(-c4nn[nH]n4)ccc32)CCN1c1ccccc1F ZINC000826476741 608520704 /nfs/dbraw/zinc/52/07/04/608520704.db2.gz OCBNVZIZXBRPNF-MSOLQXFVSA-N 1 0 392.438 2.778 20 0 GFADRO COc1ccc(-c2nn[nH]n2)cc1C[NH2+][C@@H](C)c1cccc(-n2cccn2)c1 ZINC000826184001 608527810 /nfs/dbraw/zinc/52/78/10/608527810.db2.gz HUUMJHPMNBSJOD-AWEZNQCLSA-N 1 0 375.436 2.912 20 0 GFADRO C[C@H]([NH2+]CCOc1ccc(-c2nn[nH]n2)cc1)c1cccc(-n2cccn2)c1 ZINC000824600192 608527848 /nfs/dbraw/zinc/52/78/48/608527848.db2.gz XQILNBXTOVBJOV-HNNXBMFYSA-N 1 0 375.436 2.782 20 0 GFADRO C[C@@H](c1ccc(F)cc1)N(C)C(=O)C[NH2+]C1(c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000824763762 608528707 /nfs/dbraw/zinc/52/87/07/608528707.db2.gz PADMXLJTWGRNMS-AWEZNQCLSA-N 1 0 394.454 2.804 20 0 GFADRO COc1cccc(C2([NH2+]CC(=O)Nc3ccc(-c4nn[nH]n4)c(Cl)c3)CC2)c1 ZINC000826215111 608550985 /nfs/dbraw/zinc/55/09/85/608550985.db2.gz HEKHCEMKUDGYOO-UHFFFAOYSA-N 1 0 398.854 2.746 20 0 GFADRO C[C@@H]([NH2+]CCCOc1cccc(-c2nn[nH]n2)c1)c1ccc(-n2ccnn2)cc1 ZINC000824592289 608559536 /nfs/dbraw/zinc/55/95/36/608559536.db2.gz LNIBGDGLUWVBKM-OAHLLOKOSA-N 1 0 390.451 2.567 20 0 GFADRO C[C@H](C(=O)N1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000824906734 608559899 /nfs/dbraw/zinc/55/98/99/608559899.db2.gz DLNOMMJSLVWIAB-BZUAXINKSA-N 1 0 380.496 2.744 20 0 GFADRO C[C@H](CCc1ccccc1)C[NH+]1CCN(c2cc(-c3nn[nH]n3)ccn2)CC1 ZINC000824406529 608580417 /nfs/dbraw/zinc/58/04/17/608580417.db2.gz MFRPOJINAFGSLU-QGZVFWFLSA-N 1 0 377.496 2.653 20 0 GFADRO c1ccc2c(c1)n[nH]c2C[NH+]1CCC(Oc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000826517982 608604132 /nfs/dbraw/zinc/60/41/32/608604132.db2.gz XEPMWOGCYKLOBQ-UHFFFAOYSA-N 1 0 375.436 2.786 20 0 GFADRO COc1cccc(OC)c1OC1CC[NH+](Cc2ccc(-c3nn[nH]n3)o2)CC1 ZINC000826217430 608609265 /nfs/dbraw/zinc/60/92/65/608609265.db2.gz LUIZGGBUILRKLP-UHFFFAOYSA-N 1 0 385.424 2.520 20 0 GFADRO O=C(Nc1ccccc1)C1CC[NH+](Cc2cccc(-c3nn[nH]n3)c2F)CC1 ZINC000826457173 608646267 /nfs/dbraw/zinc/64/62/67/608646267.db2.gz OLPRIFGUQVQBEW-UHFFFAOYSA-N 1 0 380.427 2.857 20 0 GFADRO c1ccc2c(c1)ncc(-c1nn[nH]n1)c2N1CC[NH+](C[C@@H]2CC=CCC2)CC1 ZINC000823867953 608652553 /nfs/dbraw/zinc/65/25/53/608652553.db2.gz KQUYZIZAAFPXHL-MRXNPFEDSA-N 1 0 375.480 2.893 20 0 GFADRO CC(C)(C)OC(=O)NC[C@](C)([NH2+]Cc1cccc(-c2nn[nH]n2)c1F)C1CC1 ZINC000824109644 608652961 /nfs/dbraw/zinc/65/29/61/608652961.db2.gz UUKBZWHRRHGOST-IBGZPJMESA-N 1 0 390.463 2.789 20 0 GFADRO COc1ccccc1C[C@@H]1CCC[N@@H+]1Cc1cnc2ccc(-c3nn[nH]n3)cn12 ZINC000826219401 608653687 /nfs/dbraw/zinc/65/36/87/608653687.db2.gz ASVQXSDCELCOAR-KRWDZBQOSA-N 1 0 389.463 2.730 20 0 GFADRO CC1(O)CC[NH+](Cc2cccc(OCc3cccc(-c4nn[nH]n4)c3)c2)CC1 ZINC000824844063 608702931 /nfs/dbraw/zinc/70/29/31/608702931.db2.gz OMHAUOXAOBDPKC-UHFFFAOYSA-N 1 0 379.464 2.793 20 0 GFADRO Fc1ccc(C[C@@H]2CC[N@H+](Cc3cnc4ccc(-c5nn[nH]n5)cn34)C2)cc1 ZINC000826373885 608704634 /nfs/dbraw/zinc/70/46/34/608704634.db2.gz CVXZMGMBCUGMQC-HNNXBMFYSA-N 1 0 377.427 2.718 20 0 GFADRO C[N@H+](Cc1ccc(-c2nn[nH]n2)s1)[C@H](CO)c1cccc(Br)c1 ZINC000825961423 608740922 /nfs/dbraw/zinc/74/09/22/608740922.db2.gz FBCKKRBOYBIHNT-CYBMUJFWSA-N 1 0 394.298 2.856 20 0 GFADRO O[C@@H](C[C@@H]1CCC[N@@H+]1Cc1cnc2ccc(-c3nn[nH]n3)cn12)c1ccccc1 ZINC000826503298 608749516 /nfs/dbraw/zinc/74/95/16/608749516.db2.gz UYEOQXHUJNEGCW-HKUYNNGSSA-N 1 0 389.463 2.603 20 0 GFADRO C[N@H+](Cc1ccc(-c2nn[nH]n2)s1)CC(C)(C)CNC(=O)OC(C)(C)C ZINC000825961115 608751354 /nfs/dbraw/zinc/75/13/54/608751354.db2.gz AVYDVPIYUYQXMP-UHFFFAOYSA-N 1 0 380.518 2.911 20 0 GFADRO COc1ccc(NC2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)cc1OC ZINC000826210031 609161471 /nfs/dbraw/zinc/16/14/71/609161471.db2.gz BHNIIYDXSJMMTG-UHFFFAOYSA-N 1 0 394.479 2.960 20 0 GFADRO CCc1cccnc1[C@H](C)[NH2+]C1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1 ZINC000825728739 609166526 /nfs/dbraw/zinc/16/65/26/609166526.db2.gz YCBXZDRNOBQXDV-AWEZNQCLSA-N 1 0 378.484 2.539 20 0 GFADRO C[C@@H](Cc1cccc(F)c1)[NH2+][C@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000824457109 609168803 /nfs/dbraw/zinc/16/88/03/609168803.db2.gz FEKGPUWVLVNKPM-LIRRHRJNSA-N 1 0 394.454 2.722 20 0 GFADRO CCc1cccnc1[C@@H](C)[NH2+][C@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000825728646 609169439 /nfs/dbraw/zinc/16/94/39/609169439.db2.gz UNYXMXBOHBRTCV-KDOFPFPSSA-N 1 0 391.479 2.670 20 0 GFADRO CC[C@H]1C[C@H](C[NH+]2CCC(C(=O)Nc3cccc(-c4nn[nH]n4)c3)CC2)CCO1 ZINC000825184038 609172200 /nfs/dbraw/zinc/17/22/00/609172200.db2.gz QNALPZNFSOYVPV-BEFAXECRSA-N 1 0 398.511 2.722 20 0 GFADRO C[C@@H]([NH2+]C1(c2cccc(-c3nn[nH]n3)c2)CC1)c1cccc(NS(C)(=O)=O)c1 ZINC000824539621 609250264 /nfs/dbraw/zinc/25/02/64/609250264.db2.gz OTNIXSJCXGSENK-CYBMUJFWSA-N 1 0 398.492 2.578 20 0 GFADRO C[C@H](NC(=S)Nc1ccccc1-c1nn[nH]n1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000824521222 609273410 /nfs/dbraw/zinc/27/34/10/609273410.db2.gz IGJGPCFVRNIKNR-KBPBESRZSA-N 1 0 385.541 2.806 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)c1ccc(Cl)c(-c2nn[nH]n2)c1)c1cccs1 ZINC000825849386 609286716 /nfs/dbraw/zinc/28/67/16/609286716.db2.gz LBKCZRCWHZPCPB-CYBMUJFWSA-N 1 0 376.873 2.614 20 0 GFADRO C[C@H](NC(=O)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824491338 609300441 /nfs/dbraw/zinc/30/04/41/609300441.db2.gz TUZTWQMBMOBYEE-MPGHIAIKSA-N 1 0 397.527 2.880 20 0 GFADRO C[C@H](NC(=O)c1c(Cl)cc(-c2nn[nH]n2)cc1Cl)C1=CC[N@H+](C)CC1 ZINC000824505836 609314206 /nfs/dbraw/zinc/31/42/06/609314206.db2.gz IDKTVTNSKMGIQF-VIFPVBQESA-N 1 0 381.267 2.554 20 0 GFADRO CCOC(=O)N[C@H](C[NH2+][C@H](C)c1ccc(-c2nn[nH]n2)cc1F)CC(C)C ZINC000825523616 609325172 /nfs/dbraw/zinc/32/51/72/609325172.db2.gz RHTRKFRWRCHVEE-OCCSQVGLSA-N 1 0 378.452 2.817 20 0 GFADRO C[C@H]([NH2+]CCCc1nnc2n1CCCCC2)c1ccc(-c2nn[nH]n2)cc1F ZINC000824593300 609333789 /nfs/dbraw/zinc/33/37/89/609333789.db2.gz QGDIRFXSOSEBSK-ZDUSSCGKSA-N 1 0 384.463 2.607 20 0 GFADRO Cn1cc(C[NH2+][C@H]2C[C@@H]2Cc2ccccc2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826361301 609339863 /nfs/dbraw/zinc/33/98/63/609339863.db2.gz SCBSINYYBLQXHF-ICSRJNTNSA-N 1 0 385.475 2.988 20 0 GFADRO CC(C)[C@H]1OCCC[C@@H]1C[NH2+]Cc1cn(C)nc1-c1ccc(-c2nn[nH]n2)cc1 ZINC000824229505 609340829 /nfs/dbraw/zinc/34/08/29/609340829.db2.gz RNUJLGYRVQBCQL-YLJYHZDGSA-N 1 0 395.511 2.808 20 0 GFADRO C[C@H]1C[C@H](N(C)Cc2ccc(-c3nn[nH]n3)cc2Br)CC[N@@H+]1C ZINC000824883701 609363491 /nfs/dbraw/zinc/36/34/91/609363491.db2.gz IUNPDJPAVAHCGP-SMDDNHRTSA-N 1 0 379.306 2.544 20 0 GFADRO CC[NH+]1CCC(N(C)Cc2ccc(-c3nn[nH]n3)cc2Br)CC1 ZINC000825453124 609364485 /nfs/dbraw/zinc/36/44/85/609364485.db2.gz SLZJHAIRPDQFBP-UHFFFAOYSA-N 1 0 379.306 2.545 20 0 GFADRO Brc1cc(-c2nn[nH]n2)ccc1C[N@@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000823820928 609365304 /nfs/dbraw/zinc/36/53/04/609365304.db2.gz MKUJYQJMKWGMKF-ZDUSSCGKSA-N 1 0 388.273 2.732 20 0 GFADRO O=C1[C@H]([NH2+]CCc2ccc(Cl)cc2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476655 609411524 /nfs/dbraw/zinc/41/15/24/609411524.db2.gz LWPZVPOFGXGTSY-GOSISDBHSA-N 1 0 396.882 2.848 20 0 GFADRO Cc1nc(C)c([C@H](C)[NH2+][C@@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)s1 ZINC000826324147 609413575 /nfs/dbraw/zinc/41/35/75/609413575.db2.gz GFSWIGJDTUWBTL-BLLLJJGKSA-N 1 0 397.508 2.786 20 0 GFADRO C[C@H](NC(=S)NCC[NH+](C)C)c1ccc(-c2cccc(-c3nn[nH]n3)c2)cc1 ZINC000824523300 609443530 /nfs/dbraw/zinc/44/35/30/609443530.db2.gz ZILGOGQPDMNYMQ-AWEZNQCLSA-N 1 0 395.536 2.620 20 0 GFADRO CC[NH+](CC)CCn1ccc2cc(NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)ccc21 ZINC000825416392 609449650 /nfs/dbraw/zinc/44/96/50/609449650.db2.gz ICRACDQUTMCYBU-UHFFFAOYSA-N 1 0 392.467 2.744 20 0 GFADRO C[C@H](NC(=O)c1ccc(-c2nn[nH]n2)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000824513961 609456315 /nfs/dbraw/zinc/45/63/15/609456315.db2.gz KRXYAWNANULUHG-KXBFYZLASA-N 1 0 376.464 2.507 20 0 GFADRO Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)n1C[N@H+]1C[C@H](C)[C@@H]2CCCC[C@@H]21 ZINC000826334924 609461932 /nfs/dbraw/zinc/46/19/32/609461932.db2.gz PKLHOSGHZVMJLQ-KKXDTOCCSA-N 1 0 378.484 2.902 20 0 GFADRO COCC1(C)CC[NH+](Cc2cn(C)nc2-c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826152726 609491831 /nfs/dbraw/zinc/49/18/31/609491831.db2.gz LGILEJCGQFQOSO-UHFFFAOYSA-N 1 0 381.484 2.516 20 0 GFADRO CC(C)(C)OC(=O)CCC[N@@H+]1CCCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000824100128 609514248 /nfs/dbraw/zinc/51/42/48/609514248.db2.gz MITXWQBQDDGCCH-UHFFFAOYSA-N 1 0 386.500 2.501 20 0 GFADRO O=C1[C@@H]([NH2+]Cc2ccc3ncccc3c2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826477265 609602376 /nfs/dbraw/zinc/60/23/76/609602376.db2.gz YRPAQARZSGQFSL-FQEVSTJZSA-N 1 0 399.458 2.700 20 0 GFADRO Ic1cnc(NCC[N@@H+]2CCc3ccccc3C2)nc1 ZINC000545207575 650451761 /nfs/dbraw/zinc/45/17/61/650451761.db2.gz FPROVDAENXPGBQ-UHFFFAOYSA-N 1 0 380.233 2.551 20 0 GFADRO C[NH+](C)CCn1ccc(NC(=O)C2(c3cccc(Br)c3)CC2)n1 ZINC000522598564 650626403 /nfs/dbraw/zinc/62/64/03/650626403.db2.gz KSNRPKRRCLSRDR-UHFFFAOYSA-N 1 0 377.286 2.878 20 0 GFADRO CC[N@H+](CCNC(=O)Nc1ccn(CC(F)(F)F)n1)CCC(F)(F)F ZINC000494576461 650811837 /nfs/dbraw/zinc/81/18/37/650811837.db2.gz AOIHZLUFLQMESX-UHFFFAOYSA-N 1 0 375.317 2.841 20 0 GFADRO C[NH+](C)C1CCC(NC(=O)c2ccccc2S(=O)(=O)C(F)(F)F)CC1 ZINC000817483458 660198130 /nfs/dbraw/zinc/19/81/30/660198130.db2.gz GUIAJHIJORMDBO-UHFFFAOYSA-N 1 0 378.416 2.583 20 0 GFADRO COc1cc([C@H](C)N[C@@H](C)[C@H]2CCC[NH2+]C2)ccc1S(=O)(=O)C(F)F ZINC000817946589 660212466 /nfs/dbraw/zinc/21/24/66/660212466.db2.gz AEHFENOGIFSADK-OBJOEFQTSA-N 1 0 376.469 2.730 20 0 GFADRO O=C(CCC[S@@](=O)c1ccc(Br)cc1)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000818018978 660213941 /nfs/dbraw/zinc/21/39/41/660213941.db2.gz WYHILNCPPNALIO-GAJHUEQPSA-N 1 0 399.354 2.691 20 0 GFADRO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000818019274 660213954 /nfs/dbraw/zinc/21/39/54/660213954.db2.gz RCUSIZJYIASFSK-SFHVURJKSA-N 1 0 391.265 2.832 20 0 GFADRO CS(=O)(=O)c1ccc([C@H](O)C[NH2+]CCSCc2ccccc2F)cc1 ZINC000818942321 660236051 /nfs/dbraw/zinc/23/60/51/660236051.db2.gz YUZJHWZTQZKYKT-GOSISDBHSA-N 1 0 383.510 2.786 20 0 GFADRO O=C(c1ccco1)N1CCC([NH2+]C[C@H](O)c2ccc(Br)cc2)CC1 ZINC000818945912 660236374 /nfs/dbraw/zinc/23/63/74/660236374.db2.gz UDPUWLKSXWCKDV-INIZCTEOSA-N 1 0 393.281 2.970 20 0 GFADRO CC(C)(C)OC(=O)NCC[C@H](O)C[NH2+]CCc1ccc(Br)s1 ZINC000818945546 660236455 /nfs/dbraw/zinc/23/64/55/660236455.db2.gz JUDTVCNOIDNDNM-NSHDSACASA-N 1 0 393.347 2.918 20 0 GFADRO Cc1cc(C)cc([C@@H](O)C[NH2+]CCNS(=O)(=O)c2cccc(Cl)c2)c1 ZINC000818951985 660237539 /nfs/dbraw/zinc/23/75/39/660237539.db2.gz UCXQNKSKXXHFEJ-SFHVURJKSA-N 1 0 382.913 2.558 20 0 GFADRO CC(C)(C)OC(=O)NCC[NH2+]C[C@@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000818982451 660241338 /nfs/dbraw/zinc/24/13/38/660241338.db2.gz MSGUHCCCELTMSC-LLVKDONJSA-N 1 0 379.284 2.847 20 0 GFADRO O=C(NCCC[NH2+]C[C@H](O)c1cccc(Br)c1)c1ccccc1 ZINC000818990106 660241899 /nfs/dbraw/zinc/24/18/99/660241899.db2.gz UGUAAPOMIZJOTB-KRWDZBQOSA-N 1 0 377.282 2.892 20 0 GFADRO COC(=O)N1CCC[C@H]([NH2+]C[C@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000819001521 660242918 /nfs/dbraw/zinc/24/29/18/660242918.db2.gz DCPKGAOBKDYHOI-STQMWFEESA-N 1 0 377.268 2.554 20 0 GFADRO NS(=O)(=O)Cc1cccc(C[NH2+]C[C@@H](O)c2ccc(Cl)cc2Cl)c1 ZINC000819005388 660243163 /nfs/dbraw/zinc/24/31/63/660243163.db2.gz NYWOHRWQLHAWIC-MRXNPFEDSA-N 1 0 389.304 2.605 20 0 GFADRO O[C@@H](C[NH2+]CC1(N2CCCC2)CCOCC1)c1cccc(Br)c1 ZINC000819021970 660243750 /nfs/dbraw/zinc/24/37/50/660243750.db2.gz XXAYGGLDNNOAJJ-KRWDZBQOSA-N 1 0 383.330 2.717 20 0 GFADRO COCCN1CC[C@@H]([NH2+]C[C@](C)(O)c2ccc(Br)cc2Cl)C1 ZINC000819039716 660244082 /nfs/dbraw/zinc/24/40/82/660244082.db2.gz SCHNFTPAIAFUML-CJNGLKHVSA-N 1 0 391.737 2.620 20 0 GFADRO Cc1ccc(Cl)c(OC[C@H](O)C[NH2+]CC[S@@](=O)Cc2ccccc2)c1 ZINC000819044432 660244346 /nfs/dbraw/zinc/24/43/46/660244346.db2.gz ZHDXUELVTVKSPD-CRICUBBOSA-N 1 0 381.925 2.927 20 0 GFADRO O[C@@H](C[NH2+]C1CCN(C[C@@H]2CCCO2)CC1)c1cccc(Br)c1 ZINC000819061328 660245002 /nfs/dbraw/zinc/24/50/02/660245002.db2.gz KTDXFSVVISTFJC-ROUUACIJSA-N 1 0 383.330 2.716 20 0 GFADRO CN(C)[C@]1(C[NH2+]C[C@](C)(O)c2ccc(Br)cc2F)CCSC1 ZINC000819132350 660247625 /nfs/dbraw/zinc/24/76/25/660247625.db2.gz WDNYJLIYNILTLO-HOTGVXAUSA-N 1 0 391.350 2.823 20 0 GFADRO CC(C)(C)OC(=O)CS(=O)(=O)CC[NH2+]C[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000819140862 660247828 /nfs/dbraw/zinc/24/78/28/660247828.db2.gz FIBDWTMJVSYKCK-STQMWFEESA-N 1 0 387.464 2.701 20 0 GFADRO O=S1(=O)CCCN1c1ccc(C[NH2+]C[C@H](O)c2ccc(Cl)cc2)cc1 ZINC000819233966 660251151 /nfs/dbraw/zinc/25/11/51/660251151.db2.gz DONVMTMXIAVFBJ-SFHVURJKSA-N 1 0 380.897 2.703 20 0 GFADRO CCOc1cc(Cl)ccc1C[NH2+]C[C@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC000819185142 660249418 /nfs/dbraw/zinc/24/94/18/660249418.db2.gz IGROVKXGVMMXBT-KRWDZBQOSA-N 1 0 383.897 2.965 20 0 GFADRO O[C@H](C[NH2+][C@@H]1CCN(c2ccccn2)C1)c1ccc(F)c(Br)c1 ZINC000819188933 660249542 /nfs/dbraw/zinc/24/95/42/660249542.db2.gz BMHHMXZCSNZNEB-CZUORRHYSA-N 1 0 380.261 2.885 20 0 GFADRO O[C@@H](C[NH2+][C@H]1CCOc2c(Cl)c(Cl)ccc21)COC1CCOCC1 ZINC000819261173 660252262 /nfs/dbraw/zinc/25/22/62/660252262.db2.gz ARAIEDJBURLCEX-NHYWBVRUSA-N 1 0 376.280 2.963 20 0 GFADRO CC(C)(C)OC(=O)CS(=O)(=O)CC[NH2+][C@H]1C[C@H](c2ccc(Cl)cc2)C1 ZINC000819278759 660253324 /nfs/dbraw/zinc/25/33/24/660253324.db2.gz HRPKLPOVBGGELN-KOMQPUFPSA-N 1 0 387.929 2.932 20 0 GFADRO CC(=O)N1CCC[C@@H](C[NH2+]C[C@](C)(O)c2ccc(Br)cc2F)C1 ZINC000819276309 660253334 /nfs/dbraw/zinc/25/33/34/660253334.db2.gz HVDHSNPBXBZFBV-GUYCJALGSA-N 1 0 387.293 2.644 20 0 GFADRO CCC[C@@H](C)C(=O)NCC[NH2+]C[C@@H](O)c1ccc(F)c(Br)c1 ZINC000819329186 660255091 /nfs/dbraw/zinc/25/50/91/660255091.db2.gz HILLERGVZQGODH-IAQYHMDHSA-N 1 0 375.282 2.764 20 0 GFADRO Cn1nccc1[C@@H]1C[C@@H]([NH2+]C[C@@H](O)c2ccc(Br)cc2)CCO1 ZINC000819355413 660256522 /nfs/dbraw/zinc/25/65/22/660256522.db2.gz UWIAFZVHUPHRKX-UAGQMJEPSA-N 1 0 380.286 2.726 20 0 GFADRO C[C@H]1COCC[N@@H+]1C1CCN(C(=O)[C@@H](O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000820124704 660282447 /nfs/dbraw/zinc/28/24/47/660282447.db2.gz FVLQZHBZZKQSEV-SJCJKPOMSA-N 1 0 387.307 2.739 20 0 GFADRO Cn1c(C(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)cc2cc(Br)cnc21 ZINC000820341025 660289787 /nfs/dbraw/zinc/28/97/87/660289787.db2.gz AMHBJYOWORAYPT-KRWDZBQOSA-N 1 0 377.286 2.504 20 0 GFADRO C[C@@H](C[NH+]1CCCCC1)NS(=O)(=O)c1cnc(Cl)c(Br)c1 ZINC000820796377 660306429 /nfs/dbraw/zinc/30/64/29/660306429.db2.gz IEMLWOLYVZWDAX-JTQLQIEISA-N 1 0 396.738 2.650 20 0 GFADRO Cc1oc(Br)cc1C(=O)O[C@H]1CCCN(c2cc[nH+]c(N)n2)C1 ZINC000820894560 660309646 /nfs/dbraw/zinc/30/96/46/660309646.db2.gz BXRNEIQRXLCTOC-JTQLQIEISA-N 1 0 381.230 2.549 20 0 GFADRO CC(C)[NH2+]C1(CO)CCN(C(=O)c2cc(F)cc(Br)c2F)CC1 ZINC000821272292 660319731 /nfs/dbraw/zinc/31/97/31/660319731.db2.gz RRFOLQNOVDBWSW-UHFFFAOYSA-N 1 0 391.256 2.692 20 0 GFADRO C[C@H]1COCC[N@@H+]1C1CCN(C[C@@H](O)c2cccc(Br)c2)CC1 ZINC000821278463 660319822 /nfs/dbraw/zinc/31/98/22/660319822.db2.gz BDWRUNPGHFLELP-KBXCAEBGSA-N 1 0 383.330 2.668 20 0 GFADRO COc1cccc([C@H](CNC(=O)c2sc(N(C)C)nc2Cl)[NH+](C)C)c1 ZINC000822238276 660341960 /nfs/dbraw/zinc/34/19/60/660341960.db2.gz ZMFPLTKQVRVZKY-ZDUSSCGKSA-N 1 0 382.917 2.904 20 0 GFADRO C[N@@H+]1CCC[C@@H](CCNC(=O)C[C@@H]2C(=O)Nc3ccc(Br)cc32)C1 ZINC000822454959 660345739 /nfs/dbraw/zinc/34/57/39/660345739.db2.gz XTMXQKIZIFVYRY-WFASDCNBSA-N 1 0 394.313 2.723 20 0 GFADRO Cc1cc(NC(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)cnc1Br ZINC000822493646 660346810 /nfs/dbraw/zinc/34/68/10/660346810.db2.gz ZSBBKEZIEUOTTK-CQSZACIVSA-N 1 0 383.290 2.527 20 0 GFADRO Fc1cc(Br)cc(-c2noc(-c3cn([C@@H]4CCC[NH2+]C4)nn3)n2)c1 ZINC000822925817 660358275 /nfs/dbraw/zinc/35/82/75/660358275.db2.gz LMPCBIGOILHUKA-GFCCVEGCSA-N 1 0 393.220 2.821 20 0 GFADRO COCC1(c2nc(Cc3ccc(Br)cc3C)no2)CC[NH2+]CC1 ZINC000822984710 660359398 /nfs/dbraw/zinc/35/93/98/660359398.db2.gz ABJYHTMRCDHDOD-UHFFFAOYSA-N 1 0 380.286 2.999 20 0 GFADRO CN(C[C@H](O)c1ccccc1Br)C(=O)C12CCC[NH+](CCC1)C2 ZINC000823463982 660372806 /nfs/dbraw/zinc/37/28/06/660372806.db2.gz PLHNOXPRHXUIOP-INIZCTEOSA-N 1 0 381.314 2.817 20 0 GFADRO CCCN(C(=O)c1cc(Br)c2nccnc2c1)[C@H]1CC[N@H+](C)C1 ZINC000823500074 660373965 /nfs/dbraw/zinc/37/39/65/660373965.db2.gz UDCFQAPWEWAYJM-ZDUSSCGKSA-N 1 0 377.286 2.949 20 0 GFADRO O=C(NCC1CC[NH+](C2CCOCC2)CC1)Nc1ccnc(Br)c1 ZINC000823578260 660375512 /nfs/dbraw/zinc/37/55/12/660375512.db2.gz ULKWNVMBMLRKHU-UHFFFAOYSA-N 1 0 397.317 2.857 20 0 GFADRO COCC[NH+]1CCC(NC(=O)C(F)(F)c2ccc(Br)cc2)CC1 ZINC000823750694 660379401 /nfs/dbraw/zinc/37/94/01/660379401.db2.gz UYGIPGBPRJNDAF-UHFFFAOYSA-N 1 0 391.256 2.768 20 0 GFADRO Cn1nc(C(=O)NCc2ccccc2C[NH+]2CCCC2)cc1Br ZINC000823770731 660379753 /nfs/dbraw/zinc/37/97/53/660379753.db2.gz DFHFVTIJPBLINN-UHFFFAOYSA-N 1 0 377.286 2.708 20 0 GFADRO C[C@H]1C[C@H](C[NH2+]CCCCCS(C)(=O)=O)CCN1C(=O)OC(C)(C)C ZINC000824203814 660387067 /nfs/dbraw/zinc/38/70/67/660387067.db2.gz YNQPEMDEQUGQLR-JKSUJKDBSA-N 1 0 376.563 2.827 20 0 GFADRO Cn1c(Cl)cnc1-c1csc(NC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)n1 ZINC000824515848 660395483 /nfs/dbraw/zinc/39/54/83/660395483.db2.gz OIFSGYJNGOFEEQ-ZYHUDNBSSA-N 1 0 380.905 2.945 20 0 GFADRO CC[C@@H](CNC(=O)c1cc(Br)n(C)n1)[N@@H+]1CCc2ccccc2C1 ZINC000824854389 660403551 /nfs/dbraw/zinc/40/35/51/660403551.db2.gz SLAKAFQALCPMKV-HNNXBMFYSA-N 1 0 391.313 2.749 20 0 GFADRO O=S(=O)(CC[NH2+]Cc1ccc(Cl)c(Br)c1)C1CCOCC1 ZINC000824897174 660404406 /nfs/dbraw/zinc/40/44/06/660404406.db2.gz PTOFRJVVQIRVIY-UHFFFAOYSA-N 1 0 396.734 2.786 20 0 GFADRO Cn1nc(C(F)(F)F)c(C[NH2+][C@H]2CCO[C@H](c3ccnn3C)C2)c1Cl ZINC000825046274 660408496 /nfs/dbraw/zinc/40/84/96/660408496.db2.gz ROZLRXCTVJEJBA-CABZTGNLSA-N 1 0 377.798 2.836 20 0 GFADRO Cn1nc(C(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)cc1Br ZINC000825358588 660422639 /nfs/dbraw/zinc/42/26/39/660422639.db2.gz CJCQAXZHUZUOBH-UHFFFAOYSA-N 1 0 395.276 2.716 20 0 GFADRO O=S(=O)(c1ccc(OCC[NH2+][C@@H]2CO[C@@H](C3CC3)C2)cc1)C(F)(F)F ZINC000825380024 660423908 /nfs/dbraw/zinc/42/39/08/660423908.db2.gz WDEZJNBBPOWIPU-SWLSCSKDSA-N 1 0 379.400 2.516 20 0 GFADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000825516833 660431775 /nfs/dbraw/zinc/43/17/75/660431775.db2.gz CQCZPSGPXHCLQL-LUKYLMHMSA-N 1 0 379.298 2.532 20 0 GFADRO C[C@@H]1[C@H](C(=O)Nc2n[nH]c(-c3ccc(Br)cc3F)n2)CC[N@@H+]1C ZINC000825776413 660441600 /nfs/dbraw/zinc/44/16/00/660441600.db2.gz HNQYDZRNWZKNAP-PSASIEDQSA-N 1 0 382.237 2.652 20 0 GFADRO C[C@@H]1CCN(C(=O)c2cc(Br)n(C)n2)CC[N@@H+]1Cc1ccccc1 ZINC000826527202 660455924 /nfs/dbraw/zinc/45/59/24/660455924.db2.gz BYFAZNLMBCTRQA-CQSZACIVSA-N 1 0 391.313 2.919 20 0 GFADRO CN(C)c1nc(Cl)c(C(=O)N2CCC(OCC[NH+]3CCCC3)CC2)s1 ZINC000826559291 660456852 /nfs/dbraw/zinc/45/68/52/660456852.db2.gz JTNNKQFZINMSOF-UHFFFAOYSA-N 1 0 386.949 2.580 20 0 GFADRO C[C@H](CCNC(=O)c1cc(Br)n(C)n1)[N@H+](C)Cc1ccccc1 ZINC000826581673 660458275 /nfs/dbraw/zinc/45/82/75/660458275.db2.gz YETWQIUWBFTCQR-CYBMUJFWSA-N 1 0 379.302 2.823 20 0 GFADRO CC(C)c1ncc(Br)c(C(=O)N2CCO[C@H](CCC[NH+](C)C)C2)n1 ZINC000826702020 660461873 /nfs/dbraw/zinc/46/18/73/660461873.db2.gz BFRJJFZZXIRUJN-CYBMUJFWSA-N 1 0 399.333 2.545 20 0 GFADRO COc1cc(Br)cc(C(=O)N2CCO[C@H](CCC[NH+](C)C)C2)c1 ZINC000826702190 660461906 /nfs/dbraw/zinc/46/19/06/660461906.db2.gz FCHSNXKKNXXZNJ-OAHLLOKOSA-N 1 0 385.302 2.641 20 0 GFADRO O=C(NCc1ccc(Br)cn1)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000826813390 660465762 /nfs/dbraw/zinc/46/57/62/660465762.db2.gz JVHCQVHFJUIGKV-HNNXBMFYSA-N 1 0 384.343 2.678 20 0 GFADRO CN(C(=O)c1cc(Br)n(C)n1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000826961528 660473719 /nfs/dbraw/zinc/47/37/19/660473719.db2.gz HVPBVFHREQOVOJ-AWEZNQCLSA-N 1 0 377.286 2.529 20 0 GFADRO CN(C)c1nc(Cl)c(C(=O)N2CC[C@@H](OCC[NH+]3CCCCC3)C2)s1 ZINC000826902569 660471035 /nfs/dbraw/zinc/47/10/35/660471035.db2.gz KQPRAKRPOZZISY-CYBMUJFWSA-N 1 0 386.949 2.580 20 0 GFADRO C[C@]12CC[N@H+](C[C@H]3CC4(CC4)C(=O)O3)C[C@H]1C2(Br)Br ZINC000852337593 661861398 /nfs/dbraw/zinc/86/13/98/661861398.db2.gz VQKLZEDFAYENIU-FOGDFJRCSA-N 1 0 393.119 2.910 20 0 GFADRO O=C(C=C1CC[NH2+]CC1)NCc1cc(Cl)ccc1I ZINC000852901052 661876744 /nfs/dbraw/zinc/87/67/44/661876744.db2.gz ZHLGEGHLSBTRCD-UHFFFAOYSA-N 1 0 390.652 2.871 20 0 GFADRO C[N@@H+]1CCCC[C@H](CNC(=O)[C@](C)(O)c2ccc(F)c(Br)c2)C1 ZINC000827193539 660483135 /nfs/dbraw/zinc/48/31/35/660483135.db2.gz XPEMDJCHOHMUFN-SJKOYZFVSA-N 1 0 387.293 2.644 20 0 GFADRO C[C@]12CCN(C(=O)C3(C[NH3+])CCCC3)C[C@H]1C2(Br)Br ZINC000852901737 661876903 /nfs/dbraw/zinc/87/69/03/661876903.db2.gz PTMSCXBBAYUGIP-PWSUYJOCSA-N 1 0 394.151 2.860 20 0 GFADRO Cc1ccc(I)c(C(=O)N2CC[C@H]3[C@H](CC[N@H+]3C)C2)c1 ZINC000827331169 660489702 /nfs/dbraw/zinc/48/97/02/660489702.db2.gz WZWPSTPNRVLXNB-DOMZBBRYSA-N 1 0 384.261 2.766 20 0 GFADRO C[N@@H+]1CC[C@H]2CN(C(=O)c3cnn(-c4ccc(Br)cc4)c3)CC[C@@H]21 ZINC000827340022 660490013 /nfs/dbraw/zinc/49/00/13/660490013.db2.gz XCKZQHLMBGVEEE-GUYCJALGSA-N 1 0 389.297 2.801 20 0 GFADRO CC(=O)c1cc(Br)ccc1OCC(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000827253390 660486262 /nfs/dbraw/zinc/48/62/62/660486262.db2.gz GYQMGVYPIZMCCQ-XJKSGUPXSA-N 1 0 395.297 2.583 20 0 GFADRO C[N@@H+]1CC[C@H]2CN(C(=O)c3cc(I)ccc3F)CC[C@H]21 ZINC000827301922 660488179 /nfs/dbraw/zinc/48/81/79/660488179.db2.gz SCXNXLXSSLHBMO-IINYFYTJSA-N 1 0 388.224 2.597 20 0 GFADRO C[N@@H+]1CC[C@H]2CN(C(=O)c3cc(=O)[nH]c4ccc(Br)cc43)CC[C@H]21 ZINC000827309937 660488477 /nfs/dbraw/zinc/48/84/77/660488477.db2.gz IYIGTGBXRNJEHX-MEDUHNTESA-N 1 0 390.281 2.869 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3cnn(-c4cccc(Br)c4)c3)CC[C@@H]21 ZINC000827318673 660488778 /nfs/dbraw/zinc/48/87/78/660488778.db2.gz IBHVYINGAJWGJD-DYVFJYSZSA-N 1 0 389.297 2.801 20 0 GFADRO CC(C)[C@H](CNC(=O)c1cc2sccc2nc1Cl)N1CC[NH+](C)CC1 ZINC000827488756 660499313 /nfs/dbraw/zinc/49/93/13/660499313.db2.gz KFCQUZDSGLNEEK-HNNXBMFYSA-N 1 0 380.945 2.952 20 0 GFADRO CC(C)C[C@@H](CNC(=O)[C@]1(C)CC1(Br)Br)[NH+](C)C ZINC000827489453 660499511 /nfs/dbraw/zinc/49/95/11/660499511.db2.gz RBHKAHHVBPGBPE-JQWIXIFHSA-N 1 0 384.156 2.975 20 0 GFADRO CC(C)(C)N1C[C@@H](C[NH2+]Cc2nc3ccccn3c2Br)CC1=O ZINC000827555602 660501937 /nfs/dbraw/zinc/50/19/37/660501937.db2.gz XXMINBIBHMRTEM-GFCCVEGCSA-N 1 0 379.302 2.833 20 0 GFADRO CCN1CCN(C(=O)CC2CC[NH+](C[C@@]3(C)CC3(Cl)Cl)CC2)CC1 ZINC000827778057 660514195 /nfs/dbraw/zinc/51/41/95/660514195.db2.gz MEGFVNMHPXKXCA-QGZVFWFLSA-N 1 0 376.372 2.837 20 0 GFADRO C[C@H](NC(=O)c1c(Br)nc2n1CCC2)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000828145564 660537504 /nfs/dbraw/zinc/53/75/04/660537504.db2.gz MUMYXJOMEASCHS-QWHCGFSZSA-N 1 0 395.345 2.975 20 0 GFADRO C[N@H+](CCn1cc(Br)cn1)C[C@H]1CN(C2CCCCC2)C(=O)O1 ZINC000828548326 660556384 /nfs/dbraw/zinc/55/63/84/660556384.db2.gz AAVJCZYIVCRLSU-HNNXBMFYSA-N 1 0 385.306 2.731 20 0 GFADRO C[N@@H+]1CCC[C@H]2[C@H]1CCN2C(=O)c1cc2ccc(Br)cc2c(=O)o1 ZINC000828961351 660576762 /nfs/dbraw/zinc/57/67/62/660576762.db2.gz WDGVOFKKENGDMO-CABCVRRESA-N 1 0 391.265 2.864 20 0 GFADRO Cc1c(Br)cccc1C(=O)N(C)CC[NH+]1CC2(C1)CCOCC2 ZINC000829267732 660586920 /nfs/dbraw/zinc/58/69/20/660586920.db2.gz YJKPEGBCQNMAAX-UHFFFAOYSA-N 1 0 381.314 2.942 20 0 GFADRO CN1CC[NH+](CCC(C)(C)NC(=O)[C@H](O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000829609494 660602891 /nfs/dbraw/zinc/60/28/91/660602891.db2.gz KCIXEAHZWNREFZ-MRXNPFEDSA-N 1 0 388.339 2.559 20 0 GFADRO CCC1([NH+]2CCC2)CCN(C(=O)C2(n3cc(Br)cn3)CC2)CC1 ZINC000829690517 660607530 /nfs/dbraw/zinc/60/75/30/660607530.db2.gz ICQUXLUCRZKDBP-UHFFFAOYSA-N 1 0 381.318 2.612 20 0 GFADRO COC1CC[NH+](CCNC(=O)Cc2sc(SCC(C)C)nc2C)CC1 ZINC000829795561 660614539 /nfs/dbraw/zinc/61/45/39/660614539.db2.gz KOHZMMKEQZYZBZ-UHFFFAOYSA-N 1 0 385.599 2.969 20 0 GFADRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1cc(Br)n[nH]1 ZINC000829694484 660607611 /nfs/dbraw/zinc/60/76/11/660607611.db2.gz OZBCWIWWIYWJCV-JSGCOSHPSA-N 1 0 377.286 2.813 20 0 GFADRO C[C@@H]1C[C@@H](c2ccc(Br)cc2)C[N@@H+]1Cc1nc(N)nc(N(C)C)n1 ZINC000626040909 652380735 /nfs/dbraw/zinc/38/07/35/652380735.db2.gz NQPDOKJIZGLCAL-DGCLKSJQSA-N 1 0 391.317 2.660 20 0 GFADRO C[NH+](C)C1(C(=O)NCc2cc(Br)cc(Br)c2N)CC1 ZINC000830247085 660644942 /nfs/dbraw/zinc/64/49/42/660644942.db2.gz NXSBHRPRMWSKIB-UHFFFAOYSA-N 1 0 391.107 2.504 20 0 GFADRO [NH3+]C[C@H](Cn1nc(Br)nc1Br)c1ccc(F)cc1 ZINC000830351114 660649866 /nfs/dbraw/zinc/64/98/66/660649866.db2.gz ODSVAQGBVSNIQC-MRVPVSSYSA-N 1 0 378.043 2.685 20 0 GFADRO [NH3+]CCCCCCCn1c(=O)ccn(Cc2cccc(Br)c2)c1=O ZINC000830360522 660650257 /nfs/dbraw/zinc/65/02/57/660650257.db2.gz KVUFZYFGUKGDDE-UHFFFAOYSA-N 1 0 394.313 2.730 20 0 GFADRO COc1cc(Br)cc(CNC(=O)c2ccc(C[NH+](C)C)nc2)c1 ZINC000830421901 660654305 /nfs/dbraw/zinc/65/43/05/660654305.db2.gz MKZWMLSZVKZPSR-UHFFFAOYSA-N 1 0 378.270 2.844 20 0 GFADRO C[C@@H](NS(=O)(=O)c1cnc(Cl)c(Br)c1)C(C)(C)C[NH+](C)C ZINC000830828855 660682425 /nfs/dbraw/zinc/68/24/25/660682425.db2.gz ZVXUWGHVWXEPLN-SECBINFHSA-N 1 0 398.754 2.752 20 0 GFADRO O=C1[C@@H](N2CC[C@@H]3COC(=O)N[C@H]3C2)CCN1c1ccc(Cl)c(Cl)c1 ZINC000830917440 660686258 /nfs/dbraw/zinc/68/62/58/660686258.db2.gz YTASAXGKIOGABH-ONERCXAPSA-N 1 0 384.263 2.529 20 0 GFADRO O=C(N[C@@H]1CC12CC[NH2+]CC2)N1CCO[C@@H](c2ccccc2Br)C1 ZINC000831172776 660701915 /nfs/dbraw/zinc/70/19/15/660701915.db2.gz LZDXJVIBGHRDEI-HZPDHXFCSA-N 1 0 394.313 2.674 20 0 GFADRO Cc1cc([C@H]([NH3+])CC(=O)Nc2cc(CSCCO)ccn2)cc(Cl)n1 ZINC000831425868 660710167 /nfs/dbraw/zinc/71/01/67/660710167.db2.gz HHQWZJBOMCJKSX-CQSZACIVSA-N 1 0 380.901 2.693 20 0 GFADRO Cc1cc([C@H]([NH3+])CC(=O)NCc2cn(C)nc2C(F)(F)F)cc(Cl)n1 ZINC000831431388 660710204 /nfs/dbraw/zinc/71/02/04/660710204.db2.gz HOHVMQRKSJBKFJ-LLVKDONJSA-N 1 0 375.782 2.502 20 0 GFADRO CCS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000831726518 660722892 /nfs/dbraw/zinc/72/28/92/660722892.db2.gz CWMODQQRCOFTMM-KBPBESRZSA-N 1 0 384.929 2.595 20 0 GFADRO C[C@H](NC(=O)c1cc(Br)n[nH]1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000831828870 660730415 /nfs/dbraw/zinc/73/04/15/660730415.db2.gz RZXAPHDKCHFGKI-GXTWGEPZSA-N 1 0 377.286 2.813 20 0 GFADRO C[N@H+](Cc1ccccc1)C1CN(C(=O)c2c(Br)nc3n2CCC3)C1 ZINC000831872551 660733343 /nfs/dbraw/zinc/73/33/43/660733343.db2.gz KWRXJKOMMMWPLE-UHFFFAOYSA-N 1 0 389.297 2.548 20 0 GFADRO CC(C)[C@H]1OCCC[C@H]1C[NH2+]Cc1c(I)cnn1C ZINC000894316672 663453985 /nfs/dbraw/zinc/45/39/85/663453985.db2.gz NIUHPRGMWAGHML-SMDDNHRTSA-N 1 0 377.270 2.566 20 0 GFADRO [NH3+][C@@H](CC(=O)N(CCn1ccnc1)Cc1ccccc1Br)C1CC1 ZINC000832183144 660761046 /nfs/dbraw/zinc/76/10/46/660761046.db2.gz SULFPANBKUJWHW-KRWDZBQOSA-N 1 0 391.313 2.802 20 0 GFADRO C[NH+](C)[C@H]1CCCN(C(=O)[C@]2(C)CC2(Br)Br)CC1 ZINC000834437137 660819908 /nfs/dbraw/zinc/81/99/08/660819908.db2.gz ZALKIWXIKKCZGC-JQWIXIFHSA-N 1 0 382.140 2.825 20 0 GFADRO CC(C)[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000834438794 660820062 /nfs/dbraw/zinc/82/00/62/660820062.db2.gz DPBPMTSOINYCAI-OAHLLOKOSA-N 1 0 383.945 2.758 20 0 GFADRO O=C(NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1)c1cc(Br)n[nH]1 ZINC000834772857 660832800 /nfs/dbraw/zinc/83/28/00/660832800.db2.gz KUEUYKRGQRVPBS-UHFFFAOYSA-N 1 0 395.223 2.707 20 0 GFADRO CO[C@]1(C[NH2+][C@H](C)c2cc(C)c(Br)s2)CCS(=O)(=O)C1 ZINC000903361662 663782498 /nfs/dbraw/zinc/78/24/98/663782498.db2.gz AHBQHWPKLHKDNE-MFKMUULPSA-N 1 0 382.345 2.673 20 0 GFADRO Cc1cc(=O)n2nc(C[N@@H+](C)Cc3ccc(Br)cc3)sc2n1 ZINC000021671587 654529332 /nfs/dbraw/zinc/52/93/32/654529332.db2.gz INPXMJYLXCQGNA-UHFFFAOYSA-N 1 0 379.283 2.854 20 0 GFADRO COC(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@@H](C)[N@@H+]2CCCC[C@@H]2C)c1 ZINC000032441250 654603168 /nfs/dbraw/zinc/60/31/68/654603168.db2.gz JSIBESQYNUZPAG-QWHCGFSZSA-N 1 0 388.917 2.668 20 0 GFADRO COc1c(Br)cc(Cl)cc1S(=O)(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000038050482 654616971 /nfs/dbraw/zinc/61/69/71/654616971.db2.gz GFZGLFGCPVWEDH-GHMZBOCLSA-N 1 0 397.722 2.659 20 0 GFADRO CC(C)[NH+](CCNC(=O)NNC(=O)c1ccccc1Br)C(C)C ZINC000043065231 654647960 /nfs/dbraw/zinc/64/79/60/654647960.db2.gz WOGRERXDEZJDNC-UHFFFAOYSA-N 1 0 385.306 2.512 20 0 GFADRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)c2c(Br)nc3n2CCCC3)C1 ZINC000837376164 660990474 /nfs/dbraw/zinc/99/04/74/660990474.db2.gz NDNLUYDHOBWDPJ-ZDUSSCGKSA-N 1 0 383.334 2.832 20 0 GFADRO COc1c(Br)cc(Cl)cc1S(=O)(=O)NC[C@H]1CCCC[NH2+]1 ZINC000044492739 654658796 /nfs/dbraw/zinc/65/87/96/654658796.db2.gz BXKVJCNVRRKMPB-SNVBAGLBSA-N 1 0 397.722 2.532 20 0 GFADRO Cc1ccc(S(=O)(=O)NCC[N@H+]2CCC[C@@H](C)C2)c(Br)c1 ZINC000046035173 654674067 /nfs/dbraw/zinc/67/40/67/654674067.db2.gz BXOQKOHCFMMBLZ-CYBMUJFWSA-N 1 0 375.332 2.768 20 0 GFADRO C[C@@H](CNC(=O)NNC(=O)c1ccccc1Br)[N@@H+]1CCC[C@@H](C)C1 ZINC000046368317 654679683 /nfs/dbraw/zinc/67/96/83/654679683.db2.gz HKHCMJJPLJLAFV-OLZOCXBDSA-N 1 0 397.317 2.514 20 0 GFADRO CC(C)[NH+]1CCC(N(C)C(=O)c2c(Br)nc3n2CCCC3)CC1 ZINC000837324431 660986523 /nfs/dbraw/zinc/98/65/23/660986523.db2.gz FTQGOXGOJYNKPA-UHFFFAOYSA-N 1 0 383.334 2.927 20 0 GFADRO CC[NH+](CC)[C@@H](CNC(=O)c1cnc2sccn2c1=O)c1ccsc1 ZINC000046688763 654683342 /nfs/dbraw/zinc/68/33/42/654683342.db2.gz BFZCERAJWOUVOT-AWEZNQCLSA-N 1 0 376.507 2.630 20 0 GFADRO O=C(Cc1cc2c(cc1Br)OCCO2)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000046998631 654688694 /nfs/dbraw/zinc/68/86/94/654688694.db2.gz BQWCHTVXQNTTSA-LSDHHAIUSA-N 1 0 395.297 2.506 20 0 GFADRO O=C(NCC[NH+]1CCCCC1)c1ccc(F)cc1I ZINC000047140689 654690770 /nfs/dbraw/zinc/69/07/70/654690770.db2.gz DGPVHKJYWDEQPQ-UHFFFAOYSA-N 1 0 376.213 2.646 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)c1nc(N2CCCC2)ncc1Cl)c1ccsc1 ZINC000047537820 654697054 /nfs/dbraw/zinc/69/70/54/654697054.db2.gz BIMKHQCZQIUEDT-AWEZNQCLSA-N 1 0 379.917 2.824 20 0 GFADRO O=C(Nc1cnn(-c2cc[nH+]cc2)c1)c1c(Br)nc2n1CCCC2 ZINC000837388854 660991915 /nfs/dbraw/zinc/99/19/15/660991915.db2.gz YHLFPYJGPPHZIU-UHFFFAOYSA-N 1 0 387.241 2.815 20 0 GFADRO CC(=O)N1CSC[C@@H]1C(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000121935252 654725465 /nfs/dbraw/zinc/72/54/65/654725465.db2.gz ZBGBZCZMJGMVQL-IAGOWNOFSA-N 1 0 381.929 2.515 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2c(Br)nc3n2CCCC3)C[C@@H]1C ZINC000837429687 660996213 /nfs/dbraw/zinc/99/62/13/660996213.db2.gz CTUPRDDDKQXYTC-QWHCGFSZSA-N 1 0 383.334 2.927 20 0 GFADRO O=C(c1c(Br)nc2n1CCCC2)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000837438316 660996931 /nfs/dbraw/zinc/99/69/31/660996931.db2.gz LQHPKHQJVJJRIV-CQSZACIVSA-N 1 0 395.345 2.930 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)Cc2cccc(I)c2)C1 ZINC000122873848 654745317 /nfs/dbraw/zinc/74/53/17/654745317.db2.gz GXTZHWQBOSZXSE-HUUCEWRRSA-N 1 0 386.277 2.823 20 0 GFADRO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1cc(F)c(Br)cc1F ZINC000122959768 654748137 /nfs/dbraw/zinc/74/81/37/654748137.db2.gz LDMOIIGJNWVHCN-SECBINFHSA-N 1 0 392.244 2.512 20 0 GFADRO CC(C)CN(C1CC[NH+](C)CC1)S(=O)(=O)c1c(Cl)nc2ccccn21 ZINC000053671920 654749295 /nfs/dbraw/zinc/74/92/95/654749295.db2.gz YEJZIVJAEWRTJM-UHFFFAOYSA-N 1 0 384.933 2.729 20 0 GFADRO CC[NH+]1CCC(NC(=O)[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)CC1 ZINC000053793159 654750127 /nfs/dbraw/zinc/75/01/27/654750127.db2.gz VCTWUQJIXUMHQD-CQSZACIVSA-N 1 0 384.307 2.947 20 0 GFADRO CCC(=O)N[C@H](CCSC)C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000054060900 654755439 /nfs/dbraw/zinc/75/54/39/654755439.db2.gz TXDGUISZQRPGEK-HUUCEWRRSA-N 1 0 383.583 2.649 20 0 GFADRO O=C(CC[NH+]1CCCC1)Nc1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC000054423502 654760276 /nfs/dbraw/zinc/76/02/76/654760276.db2.gz NYHSPFJNKFPZJJ-UHFFFAOYSA-N 1 0 385.917 2.549 20 0 GFADRO O=c1cc(C[N@H+](C[C@H]2CCCO2)[C@@H]2CCSC2)nc2ccc(Cl)cn12 ZINC000123721962 654761593 /nfs/dbraw/zinc/76/15/93/654761593.db2.gz JQMAXKCCAIMPIR-HZPDHXFCSA-N 1 0 379.913 2.834 20 0 GFADRO Cc1noc(C)c1C[N@H+](C)Cn1nc(Br)c(=O)c2ccccc21 ZINC000123733004 654762172 /nfs/dbraw/zinc/76/21/72/654762172.db2.gz BFWFZHDUYMZZHA-UHFFFAOYSA-N 1 0 377.242 2.853 20 0 GFADRO C[NH+](C)CCOc1cc(CNC(=O)c2ccc(Br)cc2)ccn1 ZINC000124035994 654769416 /nfs/dbraw/zinc/76/94/16/654769416.db2.gz GMSLHNSHBAYOMO-UHFFFAOYSA-N 1 0 378.270 2.715 20 0 GFADRO CC[C@H](C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(CC)CC)c1)[NH+](C)C ZINC000124555936 654778244 /nfs/dbraw/zinc/77/82/44/654778244.db2.gz APNGFIFUVOMSOL-CQSZACIVSA-N 1 0 375.922 2.649 20 0 GFADRO Cc1cc(S(=O)(=O)N2CCN(CCC[NH+]3CCCCC3)CC2)c(C)s1 ZINC000125020571 654786327 /nfs/dbraw/zinc/78/63/27/654786327.db2.gz ZORYMZKOWIFYEF-UHFFFAOYSA-N 1 0 385.599 2.547 20 0 GFADRO C[NH+]1CCN(c2ccc(CNC(=O)c3ccc(Br)s3)cn2)CC1 ZINC000125117967 654788256 /nfs/dbraw/zinc/78/82/56/654788256.db2.gz LVVSUZMEAXDXSX-UHFFFAOYSA-N 1 0 395.326 2.587 20 0 GFADRO O=C(NCCOc1cccc(Br)c1)NC1CC[NH+](C2CC2)CC1 ZINC000056488614 654795912 /nfs/dbraw/zinc/79/59/12/654795912.db2.gz HYKDHSOCJWTEKS-UHFFFAOYSA-N 1 0 382.302 2.754 20 0 GFADRO O[C@H](COc1ccc(Cl)cc1Cl)CN1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000057942303 654813038 /nfs/dbraw/zinc/81/30/38/654813038.db2.gz UZYWEVZRVWEHOI-JKSUJKDBSA-N 1 0 389.323 2.530 20 0 GFADRO C[C@H](CNS(=O)(=O)c1ccc(Br)cc1)[N@@H+]1CCC[C@H](C)C1 ZINC000058178789 654816146 /nfs/dbraw/zinc/81/61/46/654816146.db2.gz VRCMQVGDUZUKFG-QWHCGFSZSA-N 1 0 375.332 2.848 20 0 GFADRO CCN(CCC[NH2+]Cc1ccc(Cl)cc1Br)S(C)(=O)=O ZINC000126696168 654819390 /nfs/dbraw/zinc/81/93/90/654819390.db2.gz RIYRKKNOAVXSGF-UHFFFAOYSA-N 1 0 383.739 2.864 20 0 GFADRO COc1ccc(S(=O)(=O)NCC[N@@H+]2CCCC[C@@H]2C)cc1Br ZINC000058561838 654819795 /nfs/dbraw/zinc/81/97/95/654819795.db2.gz VZSQJOAYBOBAJR-LBPRGKRZSA-N 1 0 391.331 2.610 20 0 GFADRO C[C@@H]1C[N@@H+](CCCNC(=O)CCOc2ccccc2Br)C[C@H](C)O1 ZINC000058841111 654823366 /nfs/dbraw/zinc/82/33/66/654823366.db2.gz YZHJARNIHLBYNO-GASCZTMLSA-N 1 0 399.329 2.834 20 0 GFADRO CC[N@@H+]1CC[C@@H](CNC(=O)c2ccc(F)cc2I)C1 ZINC000058923671 654824040 /nfs/dbraw/zinc/82/40/40/654824040.db2.gz HBOPVMRSHKWUNM-JTQLQIEISA-N 1 0 376.213 2.502 20 0 GFADRO O=S(=O)(NC1CC[NH+](CCc2ccncc2)CC1)c1ccc(Cl)cc1 ZINC000058959077 654824693 /nfs/dbraw/zinc/82/46/93/654824693.db2.gz BKBBRSNNKYVBRH-UHFFFAOYSA-N 1 0 379.913 2.720 20 0 GFADRO C[C@@H](CNS(=O)(=O)c1cc(Br)ccc1F)[NH+]1CCC(C)CC1 ZINC000060321627 654827633 /nfs/dbraw/zinc/82/76/33/654827633.db2.gz DOMOFVPXNMWWTM-LBPRGKRZSA-N 1 0 393.322 2.987 20 0 GFADRO Cc1ccc(Br)c(S(=O)(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000127810243 654834567 /nfs/dbraw/zinc/83/45/67/654834567.db2.gz VZSRTDGKGHIMSX-GXTWGEPZSA-N 1 0 375.332 2.718 20 0 GFADRO O=S(=O)(NCC[NH2+]Cc1cnn(-c2ccccc2)c1)c1ccc(Cl)s1 ZINC000127811643 654834715 /nfs/dbraw/zinc/83/47/15/654834715.db2.gz PXRHNMLTSDKGOY-UHFFFAOYSA-N 1 0 396.925 2.655 20 0 GFADRO CCC1(CO)CC[NH+](CC(=O)N(C)Cc2cc(Br)cs2)CC1 ZINC000127832188 654835268 /nfs/dbraw/zinc/83/52/68/654835268.db2.gz RYCLVBSISNAHKI-UHFFFAOYSA-N 1 0 389.359 2.954 20 0 GFADRO CC(C)C(=O)NC1CC[NH+](C[C@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000061023508 654835653 /nfs/dbraw/zinc/83/56/53/654835653.db2.gz VHXZDQCQGSPVKN-AWEZNQCLSA-N 1 0 389.323 2.970 20 0 GFADRO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)CN1CCC([NH+](C)C)CC1 ZINC000127920074 654837555 /nfs/dbraw/zinc/83/75/55/654837555.db2.gz QIQUXHZLNBJFPF-UHFFFAOYSA-N 1 0 388.295 2.745 20 0 GFADRO O=C(Cc1ccc(Br)cc1)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000061648180 654841566 /nfs/dbraw/zinc/84/15/66/654841566.db2.gz MRXUWMFMUJEFQV-UHFFFAOYSA-N 1 0 395.341 2.953 20 0 GFADRO CC(C)Oc1cc(Br)ccc1C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000061648990 654841570 /nfs/dbraw/zinc/84/15/70/654841570.db2.gz LDLRICBOYVPWPL-GJZGRUSLSA-N 1 0 397.313 2.829 20 0 GFADRO COc1cc([C@H](C)[NH2+]CCN2CCCCC2)ccc1S(=O)(=O)C(F)F ZINC000128254394 654843525 /nfs/dbraw/zinc/84/35/25/654843525.db2.gz YBKDKPROYYNCFT-ZDUSSCGKSA-N 1 0 376.469 2.828 20 0 GFADRO CCN(CCC[NH2+][C@@H](C)c1cc(Cl)c(OC)cc1OC)S(C)(=O)=O ZINC000128357918 654844477 /nfs/dbraw/zinc/84/44/77/654844477.db2.gz DPJDORDANUXUMD-LBPRGKRZSA-N 1 0 378.922 2.679 20 0 GFADRO Cc1ccc(Br)c(S(=O)(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)c1 ZINC000128382372 654845047 /nfs/dbraw/zinc/84/50/47/654845047.db2.gz DGMBYOVPVXLICF-HIFRSBDPSA-N 1 0 387.343 2.862 20 0 GFADRO [NH3+][C@@H]1CCCC[C@H]1NC(=O)c1cc(I)ccc1Cl ZINC000128421049 654846521 /nfs/dbraw/zinc/84/65/21/654846521.db2.gz ITZVWYAHPGPCMK-VXGBXAGGSA-N 1 0 378.641 2.944 20 0 GFADRO C[NH+](C)Cc1cccc(C(=O)NNC(=O)c2ccccc2Br)c1 ZINC000128532229 654848259 /nfs/dbraw/zinc/84/82/59/654848259.db2.gz AXUPFJBYGCJEPH-UHFFFAOYSA-N 1 0 376.254 2.586 20 0 GFADRO COc1cccc(OC)c1OC[C@@H](O)C[NH2+]Cc1cccc(Br)c1 ZINC000063525417 654853995 /nfs/dbraw/zinc/85/39/95/654853995.db2.gz JWZBZNRPXAWTTC-HNNXBMFYSA-N 1 0 396.281 2.996 20 0 GFADRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)C[C@@H]2Sc3ccc(Cl)cc3NC2=O)C1 ZINC000063530261 654854002 /nfs/dbraw/zinc/85/40/02/654854002.db2.gz BERIKNHCLQJBRY-LRDDRELGSA-N 1 0 381.929 2.989 20 0 GFADRO CC1CC[NH+](CCNC(=O)NCc2cc3c(c(Br)c2)OCO3)CC1 ZINC000063615981 654855162 /nfs/dbraw/zinc/85/51/62/654855162.db2.gz WJNDOMADEIWMLN-UHFFFAOYSA-N 1 0 398.301 2.709 20 0 GFADRO Cc1ccc(Br)c(NC(=O)C(=O)NC[C@@H](C(C)C)[NH+]2CCCC2)c1 ZINC000129092775 654856183 /nfs/dbraw/zinc/85/61/83/654856183.db2.gz YLLNANFPCKIFTO-INIZCTEOSA-N 1 0 396.329 2.933 20 0 GFADRO CN(CC[N@H+](C)C1CCCCC1)C(=O)CS(=O)(=O)c1ccc(Cl)cc1 ZINC000063771661 654857579 /nfs/dbraw/zinc/85/75/79/654857579.db2.gz WUVWLUSKUJUJER-UHFFFAOYSA-N 1 0 386.945 2.837 20 0 GFADRO COc1ccc(S(=O)(=O)N(C)[C@H]2CC[N@H+](C)C[C@@H]2C)c(Cl)c1Cl ZINC000266157190 654859807 /nfs/dbraw/zinc/85/98/07/654859807.db2.gz GSTXROOIIJEFAS-QWRGUYRKSA-N 1 0 381.325 2.963 20 0 GFADRO C[NH2+]C[C@@H](C)CNS(=O)(=O)c1c(Cl)cc(Br)cc1Cl ZINC000129499610 654864482 /nfs/dbraw/zinc/86/44/82/654864482.db2.gz JBOMVSPHPMHYCD-SSDOTTSWSA-N 1 0 390.130 2.890 20 0 GFADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)CCc1cc(Br)ccc1F ZINC000129954472 654878785 /nfs/dbraw/zinc/87/87/85/654878785.db2.gz ALLIDJJAEJMLIR-HNNXBMFYSA-N 1 0 387.293 2.748 20 0 GFADRO CC[NH2+]CC1CCN(S(=O)(=O)c2cc(Br)ccc2C)CC1 ZINC000129963255 654879194 /nfs/dbraw/zinc/87/91/94/654879194.db2.gz GMGHNTBZNAOWHW-UHFFFAOYSA-N 1 0 375.332 2.768 20 0 GFADRO Cc1ccc(OC(F)F)c([C@H](C)[NH2+]CC2CCN(S(C)(=O)=O)CC2)c1 ZINC000130210314 654884089 /nfs/dbraw/zinc/88/40/89/654884089.db2.gz SHXSMLCHIGRAML-ZDUSSCGKSA-N 1 0 376.469 2.919 20 0 GFADRO C[NH+]1CCC(NC(=O)[C@H](c2ccc(Cl)cc2Cl)N2CCOCC2)CC1 ZINC000266546808 654884438 /nfs/dbraw/zinc/88/44/38/654884438.db2.gz HOWJCHPDSOIBHZ-KRWDZBQOSA-N 1 0 386.323 2.577 20 0 GFADRO C[C@@H](Cn1cc(Br)cn1)[NH2+]C1CCN(C(=O)c2ccco2)CC1 ZINC000130261858 654886345 /nfs/dbraw/zinc/88/63/45/654886345.db2.gz KNQXHRMEGRRLHK-LBPRGKRZSA-N 1 0 381.274 2.522 20 0 GFADRO CCCN(CCC)S(=O)(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F ZINC000065972567 654891963 /nfs/dbraw/zinc/89/19/63/654891963.db2.gz VAMKZHHKOAMZGB-UHFFFAOYSA-N 1 0 377.501 2.695 20 0 GFADRO O=c1ccn(C[N@@H+]2CCS[C@H]3COCC[C@@H]32)c2c(Br)cccc12 ZINC000131165004 654897514 /nfs/dbraw/zinc/89/75/14/654897514.db2.gz SLACIAIOOVDYRD-HOCLYGCPSA-N 1 0 395.322 2.928 20 0 GFADRO O=C(CCc1cc(Br)cs1)NCCCC[N@H+]1CCC[C@H]1CO ZINC000131361144 654903547 /nfs/dbraw/zinc/90/35/47/654903547.db2.gz QTSLIVWUAHPYSZ-AWEZNQCLSA-N 1 0 389.359 2.796 20 0 GFADRO O=C(c1ccc(I)cc1Cl)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000912917995 664310134 /nfs/dbraw/zinc/31/01/34/664310134.db2.gz RWYLREKILLKUQJ-LLVKDONJSA-N 1 0 390.652 2.865 20 0 GFADRO O=C(CSc1nc2ccccc2s1)NCCCC[N@H+]1CCC[C@@H]1CO ZINC000131402728 654905507 /nfs/dbraw/zinc/90/55/07/654905507.db2.gz ZNMVBAWIOWOUGO-CQSZACIVSA-N 1 0 379.551 2.742 20 0 GFADRO CCCOc1c(Br)cc(CNC[C@@](C)(O)C[NH+](C)C)cc1OC ZINC000131439548 654907039 /nfs/dbraw/zinc/90/70/39/654907039.db2.gz PUQOHGCPWPRBEC-QGZVFWFLSA-N 1 0 389.334 2.649 20 0 GFADRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)c1cc(F)c(F)cc1Br ZINC000131944426 654922757 /nfs/dbraw/zinc/92/27/57/654922757.db2.gz OFHIUTJNVGQLFZ-LLVKDONJSA-N 1 0 391.256 2.910 20 0 GFADRO C[N@@H+]1CC[C@@H](Cn2nnnc2Sc2ncc(C(F)(F)F)cc2Cl)C1 ZINC000131986353 654924183 /nfs/dbraw/zinc/92/41/83/654924183.db2.gz WNXXEHMLUQJVOE-MRVPVSSYSA-N 1 0 378.811 2.843 20 0 GFADRO COCC[N@H+](C)CCCNC(=O)NCc1ccc(Br)cc1Cl ZINC000067002803 654925023 /nfs/dbraw/zinc/92/50/23/654925023.db2.gz NKGAPBJZZCLZBK-UHFFFAOYSA-N 1 0 392.725 2.870 20 0 GFADRO CN(Cc1ccc([S@@](C)=O)cc1)C(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000267375760 654926086 /nfs/dbraw/zinc/92/60/86/654926086.db2.gz UDYITFWKXREGKT-SSOJOUAXSA-N 1 0 379.551 2.930 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000132197581 654928642 /nfs/dbraw/zinc/92/86/42/654928642.db2.gz SQNNZZACXZCLAI-GRDNDAEWSA-N 1 0 388.555 2.642 20 0 GFADRO CCOCCC[N@@H+]1CC[C@H](NS(=O)(=O)c2c(F)cccc2Cl)[C@H](C)C1 ZINC000132428251 654937582 /nfs/dbraw/zinc/93/75/82/654937582.db2.gz MCMKLVWVDXFIPR-CJNGLKHVSA-N 1 0 392.924 2.894 20 0 GFADRO OC[C@]1([NH2+]C[C@@H](O)COc2ccc(Br)cc2)CCc2ccccc21 ZINC000132502128 654939584 /nfs/dbraw/zinc/93/95/84/654939584.db2.gz CXPXNRDGYVVKCF-VQIMIIECSA-N 1 0 392.293 2.612 20 0 GFADRO CCSCC[C@@H](C)[N@H+](C)CC(=O)Nc1cc(-n2cnnn2)ccc1Cl ZINC000132649377 654944792 /nfs/dbraw/zinc/94/47/92/654944792.db2.gz LBFCHOAFSOEBQB-GFCCVEGCSA-N 1 0 382.921 2.718 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)c2cc(F)ccc2I)C[N@@H+]1C1CC1 ZINC000267991748 654955282 /nfs/dbraw/zinc/95/52/82/654955282.db2.gz QHIGIXALZHRGGW-MWLCHTKSSA-N 1 0 388.224 2.785 20 0 GFADRO O=c1cc(C[N@@H+]2CCCN(c3nccs3)CC2)nc2ccc(Cl)cn12 ZINC000068255535 654958420 /nfs/dbraw/zinc/95/84/20/654958420.db2.gz LIAJPLBSNZMJRB-UHFFFAOYSA-N 1 0 375.885 2.517 20 0 GFADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)Nc1cc(Br)ccc1C ZINC000133289692 654959346 /nfs/dbraw/zinc/95/93/46/654959346.db2.gz AIRSLJHTZSDBMD-CABCVRRESA-N 1 0 394.313 2.781 20 0 GFADRO C[C@@H](Cn1cc(Br)cn1)[NH2+]C1CCN(C(=O)c2ccoc2)CC1 ZINC000133287709 654959366 /nfs/dbraw/zinc/95/93/66/654959366.db2.gz KUGMRHDFXVDGTJ-LBPRGKRZSA-N 1 0 381.274 2.522 20 0 GFADRO C[C@@H](Cn1cc(Br)cn1)[NH2+][C@@H]1CC(=O)N(c2c(F)cccc2F)C1 ZINC000133341282 654961086 /nfs/dbraw/zinc/96/10/86/654961086.db2.gz ZXXCUHRLEQKAES-CMPLNLGQSA-N 1 0 399.239 2.707 20 0 GFADRO C[NH+](C)Cc1ccsc1C(=O)N[C@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000268195352 654962655 /nfs/dbraw/zinc/96/26/55/654962655.db2.gz XWCNEAKKVHRYOT-HNNXBMFYSA-N 1 0 377.897 2.998 20 0 GFADRO CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(Br)c(Cl)c2)CC1 ZINC000133421282 654963975 /nfs/dbraw/zinc/96/39/75/654963975.db2.gz BYRMLBUSHIUAIZ-UHFFFAOYSA-N 1 0 388.693 2.642 20 0 GFADRO C[NH+](C)CCNC(=O)C1CCN(C(=O)CCCC[C@@H]2CCSS2)CC1 ZINC000068499148 654964517 /nfs/dbraw/zinc/96/45/17/654964517.db2.gz BXLIPRIZBAPSGY-MRXNPFEDSA-N 1 0 387.615 2.617 20 0 GFADRO C[NH+](C)CCOc1ccc(CCNC(=O)c2cccnc2Br)cc1 ZINC000268237379 654964586 /nfs/dbraw/zinc/96/45/86/654964586.db2.gz OJCFXZNPYQTAPR-UHFFFAOYSA-N 1 0 392.297 2.757 20 0 GFADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)C1(c2cccc(Br)c2)CC1 ZINC000069526676 654983146 /nfs/dbraw/zinc/98/31/46/654983146.db2.gz BFBFSTOWCSUSMR-MRXNPFEDSA-N 1 0 381.314 2.708 20 0 GFADRO C[C@@H]([NH2+]CCNC(=O)c1ccco1)c1ccccc1I ZINC000268756723 654985672 /nfs/dbraw/zinc/98/56/72/654985672.db2.gz LYGAGKPDNFHYJR-LLVKDONJSA-N 1 0 384.217 2.965 20 0 GFADRO CC[C@H](C(=O)N1CCC(C(=O)Nc2cccc(Br)c2)CC1)[NH+](C)C ZINC000268804733 654987445 /nfs/dbraw/zinc/98/74/45/654987445.db2.gz HDXJXKMMEDYUTP-MRXNPFEDSA-N 1 0 396.329 2.966 20 0 GFADRO COCC[N@@H+]1CCCN(C(=O)Cc2c[nH]c3cc(Br)ccc23)CC1 ZINC000268858633 654989271 /nfs/dbraw/zinc/98/92/71/654989271.db2.gz MEUONQJOAZHLHS-UHFFFAOYSA-N 1 0 394.313 2.654 20 0 GFADRO CNC(=O)CCC[NH2+][C@H](C)c1nnn(-c2cccc(Br)c2)c1C ZINC000268862689 654989525 /nfs/dbraw/zinc/98/95/25/654989525.db2.gz VWDPZOITPWJSTM-LLVKDONJSA-N 1 0 380.290 2.515 20 0 GFADRO CS(=O)(=O)NCCC[NH2+][C@@H]1CCc2c1cc(Cl)cc2Br ZINC000134298947 654989717 /nfs/dbraw/zinc/98/97/17/654989717.db2.gz WOQVQRMCRFLJBA-CYBMUJFWSA-N 1 0 381.723 2.619 20 0 GFADRO CC[C@H](Cc1ccccc1Br)C(=O)N[C@@H](C)CN1CC[NH+](C)CC1 ZINC000134297528 654989824 /nfs/dbraw/zinc/98/98/24/654989824.db2.gz BVTCXQLWPMPKLM-JKSUJKDBSA-N 1 0 396.373 2.770 20 0 GFADRO Cc1ccc(NC(=O)C(=O)N2CCC[N@@H+](C(C)C)CC2)c(Br)c1 ZINC000069989505 654991226 /nfs/dbraw/zinc/99/12/26/654991226.db2.gz SUXVMBDNWKUDFD-UHFFFAOYSA-N 1 0 382.302 2.639 20 0 GFADRO C[C@@H]([NH2+][C@@H](C)COCC(F)(F)F)c1cccc(N2CCCS2(=O)=O)c1 ZINC000269021910 654995497 /nfs/dbraw/zinc/99/54/97/654995497.db2.gz PVGZIAZGZJAIPR-QWHCGFSZSA-N 1 0 380.432 2.845 20 0 GFADRO O=S(=O)(N[C@H]1CCC[NH2+]C1)c1c(Cl)cc(Br)cc1Cl ZINC000071397287 655000015 /nfs/dbraw/zinc/00/00/15/655000015.db2.gz ZSQBKXIKLFTHFT-QMMMGPOBSA-N 1 0 388.114 2.786 20 0 GFADRO CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NCc1nn(C)cc1Br ZINC000838664232 661052448 /nfs/dbraw/zinc/05/24/48/661052448.db2.gz FNTMPBIFFZPEQV-UHFFFAOYSA-N 1 0 394.317 2.586 20 0 GFADRO CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)C[C@@H]1C[NH2+]CCO1 ZINC000269186041 655000901 /nfs/dbraw/zinc/00/09/01/655000901.db2.gz HJROJKOGAIWZOH-CYBMUJFWSA-N 1 0 388.295 2.549 20 0 GFADRO CCCC[C@H](C[NH3+])NC(=O)[C@@H](C)Sc1ccccc1S(=O)(=O)CCC ZINC000269187857 655001181 /nfs/dbraw/zinc/00/11/81/655001181.db2.gz HDVWADIEHMCPMR-HUUCEWRRSA-N 1 0 386.583 2.985 20 0 GFADRO O=C(C[C@H]1C[NH2+]CCO1)Nc1ncc(Cc2cccc(Br)c2)s1 ZINC000269235485 655002304 /nfs/dbraw/zinc/00/23/04/655002304.db2.gz FQRPABQHFAJURW-ZDUSSCGKSA-N 1 0 396.310 2.813 20 0 GFADRO C[C@@H]1CN(C(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)CC[C@H]1[NH3+] ZINC000269244078 655002842 /nfs/dbraw/zinc/00/28/42/655002842.db2.gz ZCAHGLGAMJYVEO-LYRGGWFBSA-N 1 0 384.307 2.794 20 0 GFADRO CN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)CC[N@H+](C)CCC2CC2)c1 ZINC000135291382 655013178 /nfs/dbraw/zinc/01/31/78/655013178.db2.gz MJLYYFFPVWUBBR-UHFFFAOYSA-N 1 0 387.933 2.651 20 0 GFADRO CN(C1CC[NH+](Cc2c[nH]nc2-c2cccc(Cl)c2)CC1)S(C)(=O)=O ZINC000092530339 655014083 /nfs/dbraw/zinc/01/40/83/655014083.db2.gz IOZHYJILAGJMPD-UHFFFAOYSA-N 1 0 382.917 2.586 20 0 GFADRO COC(=O)[C@H](O)C1CC[NH+](Cc2cc(Br)cc3cccnc32)CC1 ZINC000135351540 655014290 /nfs/dbraw/zinc/01/42/90/655014290.db2.gz WTJALRLLJHTCND-QGZVFWFLSA-N 1 0 393.281 2.743 20 0 GFADRO O=C1NCCCN1C1CC[NH+](CCOc2cccc(Br)c2)CC1 ZINC000135444867 655017278 /nfs/dbraw/zinc/01/72/78/655017278.db2.gz YZAIONJYWBUIMI-UHFFFAOYSA-N 1 0 382.302 2.708 20 0 GFADRO COCC[N@H+]1[C@H](C)CN(Cc2cnc3ccc(Br)cn23)C[C@@H]1C ZINC000093478730 655019956 /nfs/dbraw/zinc/01/99/56/655019956.db2.gz FJJCQJAHIJJLJK-OKILXGFUSA-N 1 0 381.318 2.638 20 0 GFADRO CCOCCOc1ccc(Br)cc1C[N@@H+]1CCC[C@H](CC(N)=O)C1 ZINC000093809104 655021003 /nfs/dbraw/zinc/02/10/03/655021003.db2.gz FFYMJJSGZNOCDF-CQSZACIVSA-N 1 0 399.329 2.952 20 0 GFADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(Cc2cnc(-c3cccs3)s2)CC1 ZINC000093821239 655021358 /nfs/dbraw/zinc/02/13/58/655021358.db2.gz HNPFUCWSCYEFHL-HNNXBMFYSA-N 1 0 376.551 2.610 20 0 GFADRO CN(CC(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1)CC(C)(CO)CO ZINC000135949044 655025710 /nfs/dbraw/zinc/02/57/10/655025710.db2.gz TWPGSDUFJPIPBE-INIZCTEOSA-N 1 0 389.323 2.580 20 0 GFADRO O=C([C@@H]1CCn2cncc2C1)N1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000135996921 655026263 /nfs/dbraw/zinc/02/62/63/655026263.db2.gz SCANARKJTLTVEF-PBHICJAKSA-N 1 0 390.281 2.808 20 0 GFADRO CCC[NH+](CCC)CCCNC(=O)c1cnn2cc(Br)cnc12 ZINC000094103705 655027626 /nfs/dbraw/zinc/02/76/26/655027626.db2.gz UUSIVZDNURBYDJ-UHFFFAOYSA-N 1 0 382.306 2.734 20 0 GFADRO C[NH+](C)C1(CNC(=O)c2ccc(Cl)c(Br)c2)CCOCC1 ZINC000269963490 655029216 /nfs/dbraw/zinc/02/92/16/655029216.db2.gz ILXPRMWSGLVDDV-UHFFFAOYSA-N 1 0 375.694 2.943 20 0 GFADRO Cc1cc(C(=O)Nc2ccc(=O)n(CC[NH+](C)C)c2)c(Br)s1 ZINC000270041347 655032267 /nfs/dbraw/zinc/03/22/67/655032267.db2.gz APZXVMVWRYEVLI-UHFFFAOYSA-N 1 0 384.299 2.795 20 0 GFADRO C[C@H]1Cc2cc(S(=O)(=O)N[C@@H]3CC[N@@H+](C4CCCC4)C3)cc(Cl)c2O1 ZINC000097590946 655036456 /nfs/dbraw/zinc/03/64/56/655036456.db2.gz BDQNPFDQORFREB-GXTWGEPZSA-N 1 0 384.929 2.959 20 0 GFADRO C[C@@H]1C[C@H](NS(=O)(=O)c2ccc(Br)cc2Cl)CC[N@@H+]1C ZINC000097602707 655036925 /nfs/dbraw/zinc/03/69/25/655036925.db2.gz SABWAKPPJVVHGJ-MWLCHTKSSA-N 1 0 381.723 2.864 20 0 GFADRO Cc1ccc(Br)c(C(=O)Nc2ccc(=O)n(CC[NH+](C)C)c2)c1 ZINC000270221403 655037774 /nfs/dbraw/zinc/03/77/74/655037774.db2.gz MRLHYRORIDFCJJ-UHFFFAOYSA-N 1 0 378.270 2.733 20 0 GFADRO CN(C1CCC([NH3+])CC1)S(=O)(=O)c1ccc(Br)cc1Cl ZINC000098002013 655038582 /nfs/dbraw/zinc/03/85/82/655038582.db2.gz KWPBUFQGCRQOAP-UHFFFAOYSA-N 1 0 381.723 2.993 20 0 GFADRO C[C@@H](Oc1cccc(Br)c1)C(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000270349544 655041970 /nfs/dbraw/zinc/04/19/70/655041970.db2.gz FRRPEGLAZJYMEM-CQSZACIVSA-N 1 0 399.329 2.522 20 0 GFADRO C[N@H+](CCCO)C1CCN(C(=O)CCOc2cccc(Br)c2)CC1 ZINC000270387754 655042785 /nfs/dbraw/zinc/04/27/85/655042785.db2.gz RCQHJMPOANJEDC-UHFFFAOYSA-N 1 0 399.329 2.523 20 0 GFADRO Cc1cc(C[NH+](C)C)cc(NC(=O)c2sccc2S(=O)(=O)N(C)C)c1 ZINC000270405957 655043587 /nfs/dbraw/zinc/04/35/87/655043587.db2.gz XXVFCXGUBPWVSR-UHFFFAOYSA-N 1 0 381.523 2.621 20 0 GFADRO C[NH+](C)[C@@]1(CNC(=O)c2cc(N3CCCC3=O)ccc2Cl)CCSC1 ZINC000270461150 655045544 /nfs/dbraw/zinc/04/55/44/655045544.db2.gz FSEMRBUBODINMN-GOSISDBHSA-N 1 0 381.929 2.634 20 0 GFADRO CCCC[C@H](C[NH3+])NS(=O)(=O)c1cc(Cl)cc(Br)c1OC ZINC000150323794 655046283 /nfs/dbraw/zinc/04/62/83/655046283.db2.gz BRCWUXFOFXPRQD-SNVBAGLBSA-N 1 0 399.738 2.907 20 0 GFADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)Cc1cc(Cl)ccc1Cl ZINC000101696789 655046267 /nfs/dbraw/zinc/04/62/67/655046267.db2.gz HIBMYRCHXZRRQJ-MRXNPFEDSA-N 1 0 386.323 2.595 20 0 GFADRO CC[NH+](CC)CCNC(=O)NCCC(=O)Nc1ccc(Br)cc1C ZINC000101973044 655049383 /nfs/dbraw/zinc/04/93/83/655049383.db2.gz ODEYBIUARYFKRN-UHFFFAOYSA-N 1 0 399.333 2.727 20 0 GFADRO CC(C)[NH+](CCS[C@@H](C)C(=O)Nc1cccc(S(N)(=O)=O)c1)C(C)C ZINC000270584687 655049649 /nfs/dbraw/zinc/04/96/49/655049649.db2.gz UBQYQVWJUOXCER-AWEZNQCLSA-N 1 0 387.571 2.513 20 0 GFADRO CC[N@H+](CCNC(=O)NC[C@@H](O)COc1cccc(Cl)c1Cl)C1CC1 ZINC000102064431 655050366 /nfs/dbraw/zinc/05/03/66/655050366.db2.gz BLEGFADZUYZJLD-CYBMUJFWSA-N 1 0 390.311 2.517 20 0 GFADRO COCCC[N@H+](C)CCNC(=O)Cc1ccc(Cl)cc1Br ZINC000152347438 655058277 /nfs/dbraw/zinc/05/82/77/655058277.db2.gz SIUSXWUSPQVQDU-UHFFFAOYSA-N 1 0 377.710 2.730 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)c1cc(Cl)c(Cl)[nH]1 ZINC000270927423 655060269 /nfs/dbraw/zinc/06/02/69/655060269.db2.gz UWUJUKHLLDLJGC-DZGCQCFKSA-N 1 0 382.291 2.934 20 0 GFADRO CC(C)[NH+]1CCC(NC(=O)N[C@H](CO)c2ccc(Br)cc2)CC1 ZINC000271034083 655064542 /nfs/dbraw/zinc/06/45/42/655064542.db2.gz PQNHSLKSJKVKJU-MRXNPFEDSA-N 1 0 384.318 2.655 20 0 GFADRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N[C@@H](CO)c2ccc(Br)cc2)C1 ZINC000271143753 655067733 /nfs/dbraw/zinc/06/77/33/655067733.db2.gz OVLSEUPSDNIUNC-YOEHRIQHSA-N 1 0 398.345 2.760 20 0 GFADRO C[C@H](C(=O)Nc1cccc(Br)c1)[NH+]1CCC(CCC(N)=O)CC1 ZINC000271262918 655073435 /nfs/dbraw/zinc/07/34/35/655073435.db2.gz VDQZTQDXKSGQJE-GFCCVEGCSA-N 1 0 382.302 2.754 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)c1nccn2c(Br)cnc12)c1ccsc1 ZINC000271267551 655073892 /nfs/dbraw/zinc/07/38/92/655073892.db2.gz NUPAYRRKNQLLTR-NSHDSACASA-N 1 0 394.298 2.586 20 0 GFADRO CCOC(=O)N1CC[C@@H]([NH2+]Cc2cc(Br)c(O)c(OCC)c2)C1 ZINC000839015299 661067791 /nfs/dbraw/zinc/06/77/91/661067791.db2.gz IRPZZBATFBUQGW-GFCCVEGCSA-N 1 0 387.274 2.874 20 0 GFADRO COc1cc[nH+]c(N2CCN(C(=O)c3ccc(F)cc3Br)CC2)c1 ZINC000104516819 655081743 /nfs/dbraw/zinc/08/17/43/655081743.db2.gz OQGZLOQYFWDOIG-UHFFFAOYSA-N 1 0 394.244 2.954 20 0 GFADRO C[C@H]([NH2+]C[C@H]1CCN(S(C)(=O)=O)C1)c1ccc(OCC(F)(F)F)cc1 ZINC000271477716 655082638 /nfs/dbraw/zinc/08/26/38/655082638.db2.gz IGMYPBBSERYMLP-QWHCGFSZSA-N 1 0 380.432 2.560 20 0 GFADRO C[C@H](CC[S@](C)=O)[NH2+][C@H](C)CC(=O)Nc1ccc(Br)cc1 ZINC000271541495 655084864 /nfs/dbraw/zinc/08/48/64/655084864.db2.gz UJUMCCCTUVTHNP-ZSMADZGOSA-N 1 0 375.332 2.913 20 0 GFADRO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]C[C@H](O)c2c(F)cccc2Cl)cc1 ZINC000271567908 655086099 /nfs/dbraw/zinc/08/60/99/655086099.db2.gz YSCOALWUAFOYKP-BZNIZROVSA-N 1 0 386.876 2.771 20 0 GFADRO C[C@@H](CNC(=O)C(=O)Nc1ccc(Br)c2ccccc12)[NH+](C)C ZINC000271592974 655087390 /nfs/dbraw/zinc/08/73/90/655087390.db2.gz VQQSEOCDJOEDCT-NSHDSACASA-N 1 0 378.270 2.607 20 0 GFADRO C[C@H](CNC(=O)NC[C@H](O)COc1cccc(Cl)c1Cl)[N@H+](C)C1CC1 ZINC000105270418 655090064 /nfs/dbraw/zinc/09/00/64/655090064.db2.gz JEWRKCDWKPDTCH-YPMHNXCESA-N 1 0 390.311 2.515 20 0 GFADRO C[NH+](C)C[C@@H](Cc1ccccc1)N[C@@H](C(N)=O)c1ccc(Br)cc1 ZINC000105401618 655092651 /nfs/dbraw/zinc/09/26/51/655092651.db2.gz UXPXOMLPSJFGJZ-QZTJIDSGSA-N 1 0 390.325 2.738 20 0 GFADRO C[C@@H]([NH2+]CCc1ccc(Br)cc1)c1cccc(S(N)(=O)=O)c1 ZINC000271757930 655094020 /nfs/dbraw/zinc/09/40/20/655094020.db2.gz SLKHRIDOGFJTAA-GFCCVEGCSA-N 1 0 383.311 2.990 20 0 GFADRO COc1c(Cl)cc(NC(=O)N2CC[N@H+](C[C@H](C)O)[C@H](C)C2)cc1Cl ZINC000271819862 655095542 /nfs/dbraw/zinc/09/55/42/655095542.db2.gz PWNFPTXQYBFIBJ-MNOVXSKESA-N 1 0 376.284 2.921 20 0 GFADRO C[C@H]([NH2+]Cc1cccc2nsnc21)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000271830368 655096248 /nfs/dbraw/zinc/09/62/48/655096248.db2.gz PPYUSTZBEVAFFY-LBPRGKRZSA-N 1 0 376.507 2.792 20 0 GFADRO O=C1NC(=O)C2(CCC([NH2+]Cc3ccc(Br)cc3Cl)CC2)N1 ZINC000271834826 655096570 /nfs/dbraw/zinc/09/65/70/655096570.db2.gz FQABZWWDNOQLBR-UHFFFAOYSA-N 1 0 386.677 2.713 20 0 GFADRO CC(C)(C)OC(=O)NCC1(C[NH2+]CCCn2cc(Br)cn2)CC1 ZINC000839104954 661072093 /nfs/dbraw/zinc/07/20/93/661072093.db2.gz QZNNKLGUTIVVQI-UHFFFAOYSA-N 1 0 387.322 2.930 20 0 GFADRO CC[NH+](CC)CCN(CCOC)C(=O)C(=O)Nc1cc(Cl)ccc1Cl ZINC000105730120 655098407 /nfs/dbraw/zinc/09/84/07/655098407.db2.gz WTJQTQZPGUFKEU-UHFFFAOYSA-N 1 0 390.311 2.749 20 0 GFADRO C[N@H+](C[C@H](O)c1cccc(Br)c1)C[C@@H]1CCCN1c1cccnn1 ZINC000106088303 655101949 /nfs/dbraw/zinc/10/19/49/655101949.db2.gz GODSIJUAUDGOMV-IRXDYDNUSA-N 1 0 391.313 2.873 20 0 GFADRO O=S1(=O)CC[C@]2(C1)C[C@@H]([NH2+]Cc1cc(C(F)(F)F)ccc1F)CCO2 ZINC000272106088 655102803 /nfs/dbraw/zinc/10/28/03/655102803.db2.gz WWJPOTPXKAWIRM-DZGCQCFKSA-N 1 0 381.391 2.670 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CCCC2)C1 ZINC000272166296 655104778 /nfs/dbraw/zinc/10/47/78/655104778.db2.gz BFTOAZLIGXYPTJ-KGLIPLIRSA-N 1 0 384.929 2.622 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCN(C(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)C1 ZINC000272228012 655106366 /nfs/dbraw/zinc/10/63/66/655106366.db2.gz JKSVDWWGCCFUAP-MKBNYLNASA-N 1 0 384.307 2.794 20 0 GFADRO COc1ccc(OC(F)F)c(NC(=O)N2C[C@@H](SC)[C@H]([NH+](C)C)C2)c1 ZINC000272333340 655109260 /nfs/dbraw/zinc/10/92/60/655109260.db2.gz KTWVYJAFYWQCHQ-TZMCWYRMSA-N 1 0 375.441 2.806 20 0 GFADRO CC[NH+]1CCC(NC(=O)c2ccn(-c3cccc(Br)c3)n2)CC1 ZINC000106732288 655110238 /nfs/dbraw/zinc/11/02/38/655110238.db2.gz XZYKAGIYNNGXBS-UHFFFAOYSA-N 1 0 377.286 2.849 20 0 GFADRO C[NH+]1CCC(CNC(=O)c2cnn(-c3cccc(Br)c3)c2)CC1 ZINC000106764015 655110794 /nfs/dbraw/zinc/11/07/94/655110794.db2.gz FJEMLYQVECBICF-UHFFFAOYSA-N 1 0 377.286 2.706 20 0 GFADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)CCSc1nc2ccccc2s1 ZINC000106818599 655111730 /nfs/dbraw/zinc/11/17/30/655111730.db2.gz GTIJABIFTGZDIN-CQSZACIVSA-N 1 0 378.567 2.531 20 0 GFADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)Cc1csc(-c2ccc(Cl)s2)n1 ZINC000106817290 655111831 /nfs/dbraw/zinc/11/18/31/655111831.db2.gz ZBADYHHOVDRTIY-LBPRGKRZSA-N 1 0 398.985 2.820 20 0 GFADRO CC(C)[NH+]1CCC(N2CCN(Cc3cccc(Br)n3)CC2)CC1 ZINC000272407742 655111829 /nfs/dbraw/zinc/11/18/29/655111829.db2.gz KOVKULAKQRHDKQ-UHFFFAOYSA-N 1 0 381.362 2.835 20 0 GFADRO Cc1c(I)cccc1C(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000272413295 655111887 /nfs/dbraw/zinc/11/18/87/655111887.db2.gz FWECNVMYJVTMTG-WFASDCNBSA-N 1 0 384.261 2.766 20 0 GFADRO [NH3+]C[C@@H](NC(=O)c1cnn(-c2ncccc2Cl)c1C(F)(F)Cl)C1CC1 ZINC000159122052 655112200 /nfs/dbraw/zinc/11/22/00/655112200.db2.gz DQRXKUSUQAFOMI-LLVKDONJSA-N 1 0 390.221 2.676 20 0 GFADRO C[C@@H](NC(=O)Cn1cc(Br)cn1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272521052 655115610 /nfs/dbraw/zinc/11/56/10/655115610.db2.gz PXGQFKMJIMAWDH-ZBFHGGJFSA-N 1 0 391.313 2.672 20 0 GFADRO C[C@H](C1CC[NH+](C)CC1)N(C)S(=O)(=O)c1ccc(Br)s1 ZINC000272526080 655115618 /nfs/dbraw/zinc/11/56/18/655115618.db2.gz OFYNLXKNNNGWQD-SNVBAGLBSA-N 1 0 381.361 2.861 20 0 GFADRO Cc1cc(NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)ccc1Br ZINC000106963261 655115808 /nfs/dbraw/zinc/11/58/08/655115808.db2.gz VJGZSEQFNOKQFX-AWEZNQCLSA-N 1 0 394.313 2.829 20 0 GFADRO C[N@@H+]1CC[C@H]2CCN(C(=O)c3ccc(F)c(I)c3)[C@@H]2C1 ZINC000272587832 655117019 /nfs/dbraw/zinc/11/70/19/655117019.db2.gz WXZQWIGTBNHGJS-IINYFYTJSA-N 1 0 388.224 2.597 20 0 GFADRO COc1ccc(CCC(=O)N2CC[C@@H]3CC[N@H+](C)C[C@H]32)cc1Br ZINC000272611270 655117184 /nfs/dbraw/zinc/11/71/84/655117184.db2.gz ZZNWPOAPJLPYEF-GOEBONIOSA-N 1 0 381.314 2.943 20 0 GFADRO C[C@H](NC(=O)c1cc(Br)c2c(c1)OCCO2)C1=CC[N@H+](C)CC1 ZINC000272741837 655120319 /nfs/dbraw/zinc/12/03/19/655120319.db2.gz MZJZFASHDBJRQH-NSHDSACASA-N 1 0 381.270 2.601 20 0 GFADRO CN(CC1CC[NH+](C)CC1)C(=O)c1csc(I)c1 ZINC000107594228 655122609 /nfs/dbraw/zinc/12/26/09/655122609.db2.gz YTTZGUFBBXOULL-UHFFFAOYSA-N 1 0 378.279 2.767 20 0 GFADRO OC[C@@H]([NH2+]C[C@@H](O)COCc1ccccc1F)c1ccc(Br)cc1 ZINC000272966660 655126727 /nfs/dbraw/zinc/12/67/27/655126727.db2.gz BLJBFZHQQIBELS-SJLPKXTDSA-N 1 0 398.272 2.789 20 0 GFADRO O=C(Cc1csc(-c2cc(Br)cs2)n1)NC[C@H]1CC[NH2+]C1 ZINC000272995107 655127363 /nfs/dbraw/zinc/12/73/63/655127363.db2.gz GHEBNCDPNRUEMI-VIFPVBQESA-N 1 0 386.340 2.902 20 0 GFADRO C[C@@]1(CNC(=O)c2c(F)cccc2I)CCC[NH2+]C1 ZINC000273044899 655128517 /nfs/dbraw/zinc/12/85/17/655128517.db2.gz VVHRAYXJWWHILN-CQSZACIVSA-N 1 0 376.213 2.550 20 0 GFADRO Cn1ncc(C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1Br ZINC000273171491 655133725 /nfs/dbraw/zinc/13/37/25/655133725.db2.gz FBNOPUCJJDQFHI-CQSZACIVSA-N 1 0 377.286 2.577 20 0 GFADRO CCCC[C@H](C[NH3+])NC(=O)c1ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c1 ZINC000162853617 655133825 /nfs/dbraw/zinc/13/38/25/655133825.db2.gz IXBTUWWNUKVDMX-CYBMUJFWSA-N 1 0 389.949 2.664 20 0 GFADRO C[C@H]([NH2+][C@H]1CCCC1(C)C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000163033265 655133970 /nfs/dbraw/zinc/13/39/70/655133970.db2.gz IZPXFTHWDGTAQM-BBRMVZONSA-N 1 0 388.555 2.642 20 0 GFADRO Cn1ncc(C(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)c1Br ZINC000273203164 655134985 /nfs/dbraw/zinc/13/49/85/655134985.db2.gz KGCXEJOQWXAJNJ-LBPRGKRZSA-N 1 0 397.342 2.886 20 0 GFADRO C[NH+]1CCC(CC(=O)NCCc2ccc(I)s2)CC1 ZINC000273301509 655138517 /nfs/dbraw/zinc/13/85/17/655138517.db2.gz ZUPVXASKFLIJEC-UHFFFAOYSA-N 1 0 392.306 2.743 20 0 GFADRO CS[C@H]1CN(C(=O)CSCC(=O)c2ccccc2)C[C@@H]1[NH+]1CCCC1 ZINC000273503083 655145833 /nfs/dbraw/zinc/14/58/33/655145833.db2.gz MLIDFJYTVVAWJF-WMZOPIPTSA-N 1 0 378.563 2.641 20 0 GFADRO CC[NH+]1CCC(NC(=O)NC(C)(C)COc2ncccc2Br)CC1 ZINC000273502515 655145839 /nfs/dbraw/zinc/14/58/39/655145839.db2.gz YZJVIEMAWMNVHG-UHFFFAOYSA-N 1 0 399.333 2.785 20 0 GFADRO C[C@@H](C(=O)Nc1cccc(Br)c1)[N@@H+]1CCC[C@H](C2OCCO2)C1 ZINC000171375717 655151165 /nfs/dbraw/zinc/15/11/65/655151165.db2.gz IRFZDVUWSJXJRS-STQMWFEESA-N 1 0 383.286 2.861 20 0 GFADRO CCC[N@H+](CCC(=O)NCC(=O)OC)[C@H](C)c1ccccc1Br ZINC000109830950 655153186 /nfs/dbraw/zinc/15/31/86/655153186.db2.gz GBVVLGBBOSVBPH-CYBMUJFWSA-N 1 0 385.302 2.901 20 0 GFADRO COCCC(=O)N1CCC([NH2+][C@H](C)c2cc(Br)ncc2F)CC1 ZINC000273888266 655162704 /nfs/dbraw/zinc/16/27/04/655162704.db2.gz SQHRWVSGTZBKGW-LLVKDONJSA-N 1 0 388.281 2.661 20 0 GFADRO CN(C[C@H]1CCC[N@H+](C)C1)S(=O)(=O)c1ccc(Br)c(F)c1 ZINC000173156207 655163961 /nfs/dbraw/zinc/16/39/61/655163961.db2.gz ZWYFLPNEEOHWHM-NSHDSACASA-N 1 0 379.295 2.551 20 0 GFADRO O=C([C@@H]1CCC[N@H+]1CCOc1ccc(Br)cc1)N1CCSCC1 ZINC000111202302 655166488 /nfs/dbraw/zinc/16/64/88/655166488.db2.gz JDTNQRNPVIBSQH-INIZCTEOSA-N 1 0 399.354 2.868 20 0 GFADRO CC[NH+](CC)[C@H](CNC(=O)c1c[nH]c(=O)c(Br)c1)c1ccco1 ZINC000173286414 655167320 /nfs/dbraw/zinc/16/73/20/655167320.db2.gz FZBNOQGFFTYKLX-CYBMUJFWSA-N 1 0 382.258 2.543 20 0 GFADRO CC[NH+]1CCC(N(C)S(=O)(=O)Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000111326823 655168561 /nfs/dbraw/zinc/16/85/61/655168561.db2.gz TXWLEJBANXSGQB-UHFFFAOYSA-N 1 0 380.432 2.831 20 0 GFADRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNS(=O)(=O)c2c(C)nn(C)c2Cl)C1 ZINC000111350342 655170245 /nfs/dbraw/zinc/17/02/45/655170245.db2.gz PSSBXETXMOFGHY-CYBMUJFWSA-N 1 0 376.954 2.561 20 0 GFADRO CCN1CC[NH+](C[C@H](C)CNC(=O)c2ccc(F)c(Br)c2)CC1 ZINC000173404310 655170374 /nfs/dbraw/zinc/17/03/74/655170374.db2.gz SDJKJCLRVQXJGA-CYBMUJFWSA-N 1 0 386.309 2.592 20 0 GFADRO C[C@H]1CC[N@H+](CCC(=O)Nc2sc3c(c2C(N)=O)CCCC3)CCS1 ZINC000839582134 661093663 /nfs/dbraw/zinc/09/36/63/661093663.db2.gz XEFXOUZYKMUWGK-LBPRGKRZSA-N 1 0 381.567 2.882 20 0 GFADRO COC(=O)CN1CCC([NH2+][C@H](C)[C@@H](O)c2c(Cl)cccc2Cl)CC1 ZINC000274322416 655184890 /nfs/dbraw/zinc/18/48/90/655184890.db2.gz DCANMRCNXAKGCH-PIGZYNQJSA-N 1 0 375.296 2.642 20 0 GFADRO CC[NH+](CC)C[C@H]1CCN(S(=O)(=O)c2cccc(OC(F)(F)F)c2)C1 ZINC000173919836 655185605 /nfs/dbraw/zinc/18/56/05/655185605.db2.gz DCQFCZLEONJBKV-CYBMUJFWSA-N 1 0 380.432 2.938 20 0 GFADRO CC[NH+](CC)C[C@@H]1CCN(S(=O)(=O)c2sccc2Br)C1 ZINC000173921046 655185625 /nfs/dbraw/zinc/18/56/25/655185625.db2.gz FRYCOEJJTGIVOM-NSHDSACASA-N 1 0 381.361 2.863 20 0 GFADRO CC[NH+](CC)C[C@H]1CCN(S(=O)(=O)c2ccc(Br)c(F)c2)C1 ZINC000173925261 655186018 /nfs/dbraw/zinc/18/60/18/655186018.db2.gz HDHAYFQYLNURLH-GFCCVEGCSA-N 1 0 393.322 2.941 20 0 GFADRO C[C@H]1CC[C@H](C)[N@H+](CC(=O)Nc2ccc(Cl)c(S(=O)(=O)N(C)C)c2)C1 ZINC000174012140 655190291 /nfs/dbraw/zinc/19/02/91/655190291.db2.gz HTXINZVBEXGAJV-STQMWFEESA-N 1 0 387.933 2.649 20 0 GFADRO C[NH+]1CCN(CCOc2ccc(NC(=O)c3csc(Cl)n3)cc2)CC1 ZINC000274522300 655191933 /nfs/dbraw/zinc/19/19/33/655191933.db2.gz PGVTUSYSBCETKB-UHFFFAOYSA-N 1 0 380.901 2.675 20 0 GFADRO O=S(=O)(c1ccc2ncsc2c1)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000274798081 655202444 /nfs/dbraw/zinc/20/24/44/655202444.db2.gz PPSFKGTXVQONDC-DYVFJYSZSA-N 1 0 377.535 2.934 20 0 GFADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)Cc1ccc(Cl)cc1Br ZINC000113172407 655204408 /nfs/dbraw/zinc/20/44/08/655204408.db2.gz JVDOJPPVEZSHNO-CQSZACIVSA-N 1 0 389.721 2.872 20 0 GFADRO O=C(CC[N@H+]1CC[C@](O)(C(F)(F)F)C1)Nc1ccccc1Br ZINC000174755123 655207717 /nfs/dbraw/zinc/20/77/17/655207717.db2.gz AZGDITKFNKHIMI-CYBMUJFWSA-N 1 0 381.192 2.777 20 0 GFADRO CC(C)[N@@H+]1CC[C@H](CNC(=O)c2csc(I)c2)C1 ZINC000113426530 655210401 /nfs/dbraw/zinc/21/04/01/655210401.db2.gz VTJPZCDFMWEJBL-SNVBAGLBSA-N 1 0 378.279 2.813 20 0 GFADRO C[N@H+]1CC=C(CNC(=O)C(=O)Nc2cc(Cl)cc(C(F)(F)F)c2)CC1 ZINC000275007539 655211129 /nfs/dbraw/zinc/21/11/29/655211129.db2.gz DLJNMCWKEKNXJG-UHFFFAOYSA-N 1 0 375.778 2.675 20 0 GFADRO CNC(=O)CC1CC[NH+](C[C@@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000175030642 655212770 /nfs/dbraw/zinc/21/27/70/655212770.db2.gz XSXYQINPHQNBLG-CQSZACIVSA-N 1 0 375.296 2.581 20 0 GFADRO CS[C@H]1CN(CCCS(=O)(=O)c2cccc(C)c2)C[C@H]1[NH+]1CCCC1 ZINC000275038729 655213281 /nfs/dbraw/zinc/21/32/81/655213281.db2.gz GSEXVJBYPJIELB-MOPGFXCFSA-N 1 0 382.595 2.670 20 0 GFADRO Cc1ccc(NC(=O)CNC(=O)c2ccc(Br)o2)c(C[NH+](C)C)c1 ZINC000113989103 655216685 /nfs/dbraw/zinc/21/66/85/655216685.db2.gz RUIOCLSRNUYVTF-UHFFFAOYSA-N 1 0 394.269 2.781 20 0 GFADRO COc1c(Br)cccc1C[N@@H+]1CC[C@H](C(=O)NCC(F)(F)F)C1 ZINC000275134310 655218843 /nfs/dbraw/zinc/21/88/43/655218843.db2.gz LUYSOZKPMLTEKR-NSHDSACASA-N 1 0 395.219 2.958 20 0 GFADRO C[NH+](C)C[C@H]1CCN(CC(=O)Nc2c(F)cc(F)cc2Br)C1 ZINC000114478102 655224811 /nfs/dbraw/zinc/22/48/11/655224811.db2.gz BXWFDXDOIXNHTB-SNVBAGLBSA-N 1 0 376.245 2.549 20 0 GFADRO C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)N1CC[C@H](C[NH+](C)C)C1 ZINC000114478452 655224856 /nfs/dbraw/zinc/22/48/56/655224856.db2.gz AAGXORMGYZZJSM-GDBMZVCRSA-N 1 0 382.346 2.680 20 0 GFADRO O=C(NCCCC[NH+]1CCN(CCO)CC1)Nc1cc(Cl)cc(Cl)c1 ZINC000114602682 655226163 /nfs/dbraw/zinc/22/61/63/655226163.db2.gz LORMVDZURLOHOE-UHFFFAOYSA-N 1 0 389.327 2.505 20 0 GFADRO CSc1nnc(CNC(=O)NC[C@@H](c2ccc(C)o2)[NH+]2CCCC2)s1 ZINC000275545409 655240975 /nfs/dbraw/zinc/24/09/75/655240975.db2.gz ZQAMJSAQWNGLTO-LBPRGKRZSA-N 1 0 381.527 2.798 20 0 GFADRO CS[C@@H]1CN(C(=O)c2nc(Br)cs2)C[C@H]1[NH+]1CCCC1 ZINC000275706924 655247851 /nfs/dbraw/zinc/24/78/51/655247851.db2.gz QPSHCOSUVNHUNV-NXEZZACHSA-N 1 0 376.345 2.557 20 0 GFADRO CCn1c(SCC(=O)NCC2([NH+](C)C)CCC2)nnc1-c1cccs1 ZINC000275800575 655251729 /nfs/dbraw/zinc/25/17/29/655251729.db2.gz CNCMWTKOLJOPKG-UHFFFAOYSA-N 1 0 379.555 2.719 20 0 GFADRO CCO[C@@H]1C[C@@]([NH3+])(C(=O)N[C@@H]2CCOc3ccc(Br)cc32)C1(C)C ZINC000275870107 655254248 /nfs/dbraw/zinc/25/42/48/655254248.db2.gz ZUGSDFCLIGAGBO-DDUZABMNSA-N 1 0 397.313 2.921 20 0 GFADRO Cc1cc(S(=O)(=O)NC2CC[NH+](CC3CC3)CC2)sc1Br ZINC000176839610 655257719 /nfs/dbraw/zinc/25/77/19/655257719.db2.gz BKIHAVGOURBCCU-UHFFFAOYSA-N 1 0 393.372 2.972 20 0 GFADRO C[NH+](C)C1(CNC(=O)Cc2csc(NC(=O)c3cccs3)n2)CCC1 ZINC000276069418 655260840 /nfs/dbraw/zinc/26/08/40/655260840.db2.gz VZDOTXATOUKSHS-UHFFFAOYSA-N 1 0 378.523 2.600 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000276107277 655262757 /nfs/dbraw/zinc/26/27/57/655262757.db2.gz RBCIIOAHKWJDHJ-SWLSCSKDSA-N 1 0 396.329 2.891 20 0 GFADRO Cc1csc(C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@H]32)c1I ZINC000276139226 655264220 /nfs/dbraw/zinc/26/42/20/655264220.db2.gz CBRSDAYKOGPEFT-WDEREUQCSA-N 1 0 390.290 2.827 20 0 GFADRO CC[C@H](CO)[NH+]1CCN(C(=O)Nc2c(C)cc(Br)cc2C)CC1 ZINC000177129327 655269548 /nfs/dbraw/zinc/26/95/48/655269548.db2.gz GIIODOCRJILSGB-OAHLLOKOSA-N 1 0 384.318 2.986 20 0 GFADRO Cc1cc(S(=O)(=O)N2CC[C@H](C[NH+](C)C)C2)c(C)cc1Br ZINC000117923387 655269749 /nfs/dbraw/zinc/26/97/49/655269749.db2.gz XHWVQLDNXZZJDM-CYBMUJFWSA-N 1 0 375.332 2.638 20 0 GFADRO COC(=O)[C@]1(C)CC[N@H+](Cn2ccc(=O)c3cccc(Br)c32)C1 ZINC000177223942 655270745 /nfs/dbraw/zinc/27/07/45/655270745.db2.gz YOCVFLBFUXLCRP-QGZVFWFLSA-N 1 0 379.254 2.607 20 0 GFADRO C[S@@](=O)c1cccc(NC(=O)NCC2([NH+]3CCSCC3)CCCC2)c1 ZINC000118038912 655271392 /nfs/dbraw/zinc/27/13/92/655271392.db2.gz YBYFQAVAVXYTJF-VWLOTQADSA-N 1 0 381.567 2.907 20 0 GFADRO C[N@@H+]1CCC[C@H](CNC(=O)Nc2ccc(F)cc2I)C1 ZINC000177283145 655273245 /nfs/dbraw/zinc/27/32/45/655273245.db2.gz QAHGTUPICVVACO-SNVBAGLBSA-N 1 0 391.228 2.894 20 0 GFADRO CN(Cc1cccc(Br)c1OCC(C)(C)O)C(=O)[C@@H]1CCC[N@@H+]1C ZINC000276396544 655274042 /nfs/dbraw/zinc/27/40/42/655274042.db2.gz SOPCHQBFPUGJKT-HNNXBMFYSA-N 1 0 399.329 2.651 20 0 GFADRO CC(C)(C[NH2+]Cc1cncnc1)S(=O)(=O)c1ccc(Br)cc1 ZINC000118455102 655276552 /nfs/dbraw/zinc/27/65/52/655276552.db2.gz JYMUIXLHGBECJZ-UHFFFAOYSA-N 1 0 384.299 2.581 20 0 GFADRO C[C@@H]1C[NH+](CCCCNC(=O)c2cc(Br)ccc2O)C[C@@H](C)O1 ZINC000119105456 655290398 /nfs/dbraw/zinc/29/03/98/655290398.db2.gz QWXZCKUEBLOSPA-CHWSQXEVSA-N 1 0 385.302 2.774 20 0 GFADRO CC[N@@H+](Cc1cc(Br)ccc1F)C[C@@H](O)COC1CCOCC1 ZINC000119112554 655290910 /nfs/dbraw/zinc/29/09/10/655290910.db2.gz OJWYCTOQRQDSNI-OAHLLOKOSA-N 1 0 390.293 2.967 20 0 GFADRO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)Nc2cc(Br)cn(C)c2=O)C1 ZINC000177964566 655293053 /nfs/dbraw/zinc/29/30/53/655293053.db2.gz RVOXMGMLOAPJKV-LBPRGKRZSA-N 1 0 399.333 2.780 20 0 GFADRO C[C@H](Cn1cc(Br)cn1)[NH2+]CC(=O)N1CCCc2ccccc21 ZINC000177983250 655293493 /nfs/dbraw/zinc/29/34/93/655293493.db2.gz OGVZKBXSJVHFOC-CYBMUJFWSA-N 1 0 377.286 2.603 20 0 GFADRO C[C@H]([NH2+]C[C@@H]1CCn2ncc(C(N)=O)c2C1)c1ccc(Br)s1 ZINC000276942969 655294505 /nfs/dbraw/zinc/29/45/05/655294505.db2.gz NQYOKMCAFYPNSX-VHSXEESVSA-N 1 0 383.315 2.719 20 0 GFADRO COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000276952743 655294948 /nfs/dbraw/zinc/29/49/48/655294948.db2.gz LIVAIVIACFDZND-OTYXRUKQSA-N 1 0 386.279 2.539 20 0 GFADRO CSCCN(C)C(=O)NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000119262121 655295749 /nfs/dbraw/zinc/29/57/49/655295749.db2.gz WNLFWEAODAAFLL-UHFFFAOYSA-N 1 0 384.977 2.857 20 0 GFADRO O=S(=O)(NCC[NH2+]Cc1ccc(F)c(C(F)(F)F)c1)c1cccs1 ZINC000119260204 655295762 /nfs/dbraw/zinc/29/57/62/655295762.db2.gz VTZGEQLYHIJYCA-UHFFFAOYSA-N 1 0 382.404 2.974 20 0 GFADRO Cc1cc(S(=O)(=O)N2CCC[C@H]([NH+](C)C)CC2)sc1Br ZINC000277025912 655298948 /nfs/dbraw/zinc/29/89/48/655298948.db2.gz NMPZOYMDVSXGMW-NSHDSACASA-N 1 0 381.361 2.924 20 0 GFADRO CCC[C@H]1CN(C(=O)Nc2cccnc2Br)CC[N@@H+]1CCOC ZINC000119360682 655300756 /nfs/dbraw/zinc/30/07/56/655300756.db2.gz WVEJGCPVISVNEN-ZDUSSCGKSA-N 1 0 385.306 2.809 20 0 GFADRO Cc1cc(Br)cc(NC(=O)C(=O)N2CCC[C@H]([NH+](C)C)CC2)c1 ZINC000277081796 655302042 /nfs/dbraw/zinc/30/20/42/655302042.db2.gz JFMLFDMOVMTXJF-HNNXBMFYSA-N 1 0 382.302 2.639 20 0 GFADRO C[NH+](C)[C@@H]1CCCN(C(=O)c2cc(F)ccc2I)CC1 ZINC000277106883 655303678 /nfs/dbraw/zinc/30/36/78/655303678.db2.gz DABIUGKMSWUWPT-GFCCVEGCSA-N 1 0 390.240 2.987 20 0 GFADRO C[N@H+]1CC=C(CNS(=O)(=O)c2cccc(Cl)c2Br)CC1 ZINC000277113631 655304131 /nfs/dbraw/zinc/30/41/31/655304131.db2.gz VUQFPWLMESWUHV-UHFFFAOYSA-N 1 0 379.707 2.643 20 0 GFADRO C[C@H]1C[NH+](CCCNC(=O)c2ccc(C(F)(F)F)nc2Cl)C[C@H](C)O1 ZINC000178536025 655304399 /nfs/dbraw/zinc/30/43/99/655304399.db2.gz CPYQJTVWBYFCER-QWRGUYRKSA-N 1 0 379.810 2.983 20 0 GFADRO Cc1nn(Cc2cccc(Br)c2)c(C)c1C(=O)N1CC[C@H](C[NH3+])C1 ZINC000178553703 655304733 /nfs/dbraw/zinc/30/47/33/655304733.db2.gz RCVAEKRTIIFUHN-OAHLLOKOSA-N 1 0 391.313 2.732 20 0 GFADRO C[C@@H]([NH3+])CCNC(=O)c1ccc(Br)cc1I ZINC000178630127 655306497 /nfs/dbraw/zinc/30/64/97/655306497.db2.gz RAXHHDBBVRZXJR-SSDOTTSWSA-N 1 0 397.054 2.521 20 0 GFADRO CC(C)[NH+]1CCC(N2C(=O)N[C@@H](c3ccc(Br)cc3)C2=O)CC1 ZINC000277196866 655307303 /nfs/dbraw/zinc/30/73/03/655307303.db2.gz DACAAGCSDHORMZ-HNNXBMFYSA-N 1 0 380.286 2.915 20 0 GFADRO CCCN(C(=O)c1cc(=O)[nH]c2ccc(Br)cc21)[C@@H]1CC[NH2+]C1 ZINC000178909832 655310705 /nfs/dbraw/zinc/31/07/05/655310705.db2.gz BJTCHWDQBZSINV-GFCCVEGCSA-N 1 0 378.270 2.917 20 0 GFADRO C[C@H]([NH2+]CCc1ccc(S(N)(=O)=O)cc1)c1cccc(Br)c1 ZINC000119681516 655310876 /nfs/dbraw/zinc/31/08/76/655310876.db2.gz CNGYAOMRERLXHE-LBPRGKRZSA-N 1 0 383.311 2.990 20 0 GFADRO COCCNS(=O)(=O)c1cccc(C[NH2+][C@@H]2CS[C@H](C(C)(C)C)C2)c1 ZINC000277293934 655311664 /nfs/dbraw/zinc/31/16/64/655311664.db2.gz RLSFUBCRRUEISV-RDJZCZTQSA-N 1 0 386.583 2.621 20 0 GFADRO Cc1c(Br)cc(C(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)c(=O)n1C ZINC000277339533 655313773 /nfs/dbraw/zinc/31/37/73/655313773.db2.gz FOZXLPUTRVCAQY-AWEZNQCLSA-N 1 0 396.329 2.547 20 0 GFADRO Cc1cc(Br)cc(C[N@@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)c1O ZINC000179659662 655315771 /nfs/dbraw/zinc/31/57/71/655315771.db2.gz AKYDZUVRUJUNDB-CQSZACIVSA-N 1 0 397.313 2.534 20 0 GFADRO O=C(CC1([NH+]2CCOCC2)CCCC1)Nc1c[nH]cc(Br)c1=O ZINC000119825309 655317007 /nfs/dbraw/zinc/31/70/07/655317007.db2.gz JDZZLPCCIVRLTE-UHFFFAOYSA-N 1 0 384.274 2.523 20 0 GFADRO COc1ccccc1S(=O)(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000119972039 655323598 /nfs/dbraw/zinc/32/35/98/655323598.db2.gz GEUCPAKXFKVJHK-HNNXBMFYSA-N 1 0 380.535 2.947 20 0 GFADRO COc1cc(CNC(=O)[C@H]2CCC[N@@H+]2C2CC2)cc(Br)c1OC ZINC000278595426 655325222 /nfs/dbraw/zinc/32/52/22/655325222.db2.gz IKQNHIBOHHHTSR-CQSZACIVSA-N 1 0 383.286 2.709 20 0 GFADRO Cc1nc(Br)ccc1NC(=O)N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC000278596707 655325436 /nfs/dbraw/zinc/32/54/36/655325436.db2.gz GQZZBUJPNHWNND-GFCCVEGCSA-N 1 0 397.317 2.870 20 0 GFADRO O=C1CC[C@@H]2C[N@H+](C[C@@H](O)c3cccc(Br)c3)CC[C@H]2N1C1CC1 ZINC000120108358 655327914 /nfs/dbraw/zinc/32/79/14/655327914.db2.gz NGIFSBXUOBCHOW-ZTFGCOKTSA-N 1 0 393.325 2.958 20 0 GFADRO C[C@H]([NH2+]CC1(C)CCCC1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000180699731 655329517 /nfs/dbraw/zinc/32/95/17/655329517.db2.gz RLHBASCYDOYDGE-AWEZNQCLSA-N 1 0 388.555 2.643 20 0 GFADRO COc1ccc([C@H](C)[NH2+]CC(=O)N[C@H](C(C)=O)C(C)C)cc1Br ZINC000120155416 655329599 /nfs/dbraw/zinc/32/95/99/655329599.db2.gz WGWDXLVQJKWWQZ-GTNSWQLSSA-N 1 0 385.302 2.838 20 0 GFADRO O=c1nc(C2CC[NH+](Cc3cc(Br)cc4cccnc43)CC2)[nH][nH]1 ZINC000281140075 655332773 /nfs/dbraw/zinc/33/27/73/655332773.db2.gz ZDIZUCSRVUTNRM-UHFFFAOYSA-N 1 0 388.269 2.788 20 0 GFADRO C[C@H]([NH2+]C1CCN(c2nccs2)CC1)c1ccc(NS(C)(=O)=O)cc1 ZINC000281471076 655333650 /nfs/dbraw/zinc/33/36/50/655333650.db2.gz FGCKTIAZWXEMKL-ZDUSSCGKSA-N 1 0 380.539 2.834 20 0 GFADRO COc1ccc(C(=O)NCC[N@H+](C)Cc2ccc(F)cc2)nc1Br ZINC000181275273 655334380 /nfs/dbraw/zinc/33/43/80/655334380.db2.gz CGQYTQVNTIFBQJ-UHFFFAOYSA-N 1 0 396.260 2.854 20 0 GFADRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)Nc1cc(Cl)c(Cl)cc1F ZINC000281561265 655335179 /nfs/dbraw/zinc/33/51/79/655335179.db2.gz WOXBLOGLLDKJQG-YMTOWFKASA-N 1 0 376.259 2.870 20 0 GFADRO O=C(Nc1ccc(Br)cc1F)C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000120430174 655335683 /nfs/dbraw/zinc/33/56/83/655335683.db2.gz BPGNTLYFEKTXAL-UHFFFAOYSA-N 1 0 398.276 2.614 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)C(=O)N(C)CCC[NH+]1CCCC1 ZINC000281591683 655335978 /nfs/dbraw/zinc/33/59/78/655335978.db2.gz ZHKCGZXLSOQMRH-UHFFFAOYSA-N 1 0 382.302 2.640 20 0 GFADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2cc(Cl)c(Cl)cc2F)C1 ZINC000281622988 655336672 /nfs/dbraw/zinc/33/66/72/655336672.db2.gz DXTWIKNPHZHTKX-JTQLQIEISA-N 1 0 376.259 2.871 20 0 GFADRO CCCCO[C@@H]1C[C@@H]([NH2+]C2CCN(S(=O)(=O)C(F)(F)F)CC2)C1(C)C ZINC000181884733 655341026 /nfs/dbraw/zinc/34/10/26/655341026.db2.gz RPQIHTRUEOSZBV-ZIAGYGMSSA-N 1 0 386.480 2.874 20 0 GFADRO CN(C[C@H]1CCC[N@H+](C)C1)S(=O)(=O)Cc1ccc(Br)cc1 ZINC000120642907 655341233 /nfs/dbraw/zinc/34/12/33/655341233.db2.gz ORQFMRULJNPOPM-AWEZNQCLSA-N 1 0 375.332 2.553 20 0 GFADRO CC(C)c1cc(Br)ccc1NC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000120771028 655343586 /nfs/dbraw/zinc/34/35/86/655343586.db2.gz VHEATRZLMJTDDL-ZDUSSCGKSA-N 1 0 396.329 2.921 20 0 GFADRO Cc1cccc(NC(=O)NCCN2CCC([NH+](C)C)CC2)c1Br ZINC000120824824 655344626 /nfs/dbraw/zinc/34/46/26/655344626.db2.gz ZNQLRIYEABELIE-UHFFFAOYSA-N 1 0 383.334 2.905 20 0 GFADRO Cc1cccc(NC(=O)NC[C@H](O)C[NH+]2CCC(C)CC2)c1Br ZINC000120854488 655345528 /nfs/dbraw/zinc/34/55/28/655345528.db2.gz ZDKBMYAUQGDFDI-AWEZNQCLSA-N 1 0 384.318 2.972 20 0 GFADRO OC[C@H](C[C@@H](O)c1ccccc1)[NH2+]Cc1cn2ccc(Br)cc2n1 ZINC000289426760 655348761 /nfs/dbraw/zinc/34/87/61/655348761.db2.gz DERFTNASDDFQRD-DOTOQJQBSA-N 1 0 390.281 2.671 20 0 GFADRO COc1sc(CN(C)CC[N@H+](C)C2CCN(C)CC2)cc1Br ZINC000289430365 655348989 /nfs/dbraw/zinc/34/89/89/655348989.db2.gz KOLBMKDZZARYFB-UHFFFAOYSA-N 1 0 390.391 2.977 20 0 GFADRO CC[N@H+](C)C[C@H]1CCN(Cn2nc3ccc(Br)cn3c2=S)C1 ZINC000840015309 661124580 /nfs/dbraw/zinc/12/45/80/661124580.db2.gz NADGSKBXEWLNRH-GFCCVEGCSA-N 1 0 384.347 2.859 20 0 GFADRO O[C@H](C[NH2+][C@@H](c1cncc(Br)c1)C1CC1)COCC(F)(F)F ZINC000292847684 655355313 /nfs/dbraw/zinc/35/53/13/655355313.db2.gz FRSJGLJTKSPZIC-CHWSQXEVSA-N 1 0 383.208 2.825 20 0 GFADRO CN(C)c1ncc(CNC(=O)C2(Cc3ccccc3Br)CC2)n1C ZINC000292897269 655356392 /nfs/dbraw/zinc/35/63/92/655356392.db2.gz UTCXZJIMLICXHL-UHFFFAOYSA-N 1 0 391.313 2.888 20 0 GFADRO CS(=O)(=O)CC1CCC([NH2+]Cc2ccnc(OCC(F)(F)F)c2)CC1 ZINC000293771089 655361787 /nfs/dbraw/zinc/36/17/87/655361787.db2.gz PPNDZQKYSPATEB-UHFFFAOYSA-N 1 0 380.432 2.716 20 0 GFADRO CC[NH+]1CCN([C@H](C)C[NH2+][C@H](C)c2cc(Br)cc(F)c2[O-])CC1 ZINC000185022191 655361833 /nfs/dbraw/zinc/36/18/33/655361833.db2.gz QQHBOTSXFKEBEA-CHWSQXEVSA-N 1 0 388.325 2.970 20 0 GFADRO COC(=O)N1CCC([C@@H](C)[NH2+]CC(=O)Nc2ccccc2Br)CC1 ZINC000186373443 655369134 /nfs/dbraw/zinc/36/91/34/655369134.db2.gz VMMKDNWEZJQTKP-GFCCVEGCSA-N 1 0 398.301 2.844 20 0 GFADRO Cc1ccc(-n2nc(Br)cc2C(=O)N[C@@H]2C[NH2+]CC[C@H]2C)cc1 ZINC000186704919 655371030 /nfs/dbraw/zinc/37/10/30/655371030.db2.gz XUIGXIKPTNCTNF-TZMCWYRMSA-N 1 0 377.286 2.671 20 0 GFADRO COC[C@@H]([NH2+]CCC(=O)Nc1sccc1C(N)=O)c1cccc(Cl)c1 ZINC000298611784 655373605 /nfs/dbraw/zinc/37/36/05/655373605.db2.gz TYXCJEIIBIRUOC-CQSZACIVSA-N 1 0 381.885 2.806 20 0 GFADRO Cc1csc([C@@](O)(CC(=O)NCC[N@H+]2CCCC[C@@H]2C)C(F)(F)F)n1 ZINC000299384091 655375357 /nfs/dbraw/zinc/37/53/57/655375357.db2.gz OEUVFNXNDHSNKR-WFASDCNBSA-N 1 0 379.448 2.582 20 0 GFADRO C[N@@H+]1CCC[C@@]2(CCN(Cn3nc(Br)c(=O)c4ccccc43)C2)C1 ZINC000840085610 661130607 /nfs/dbraw/zinc/13/06/07/661130607.db2.gz GHPGHCDGOYPLIC-GOSISDBHSA-N 1 0 391.313 2.534 20 0 GFADRO O=S(=O)(NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1cccnc1Cl ZINC000310955548 655379234 /nfs/dbraw/zinc/37/92/34/655379234.db2.gz AQSCWPVAAMSDDU-INIZCTEOSA-N 1 0 379.913 2.926 20 0 GFADRO C[C@H](CNc1cnn(CC(F)(F)F)c(=O)c1Br)C[NH+]1CCCC1 ZINC000322927862 655383407 /nfs/dbraw/zinc/38/34/07/655383407.db2.gz JOQYXTROTNULDE-SNVBAGLBSA-N 1 0 397.239 2.712 20 0 GFADRO Cc1cc(C(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)nn1-c1ccc(Br)cc1 ZINC000365241790 655392673 /nfs/dbraw/zinc/39/26/73/655392673.db2.gz CYGOTVYFSPULOD-CXAGYDPISA-N 1 0 389.297 2.767 20 0 GFADRO COC(=O)c1cc(C[NH+]2CCC(n3cc(Br)cn3)CC2)n(C)c1C ZINC000366009334 655397921 /nfs/dbraw/zinc/39/79/21/655397921.db2.gz ZFLIKKXXOUNXTA-UHFFFAOYSA-N 1 0 395.301 2.916 20 0 GFADRO NC(=O)NC(=O)OCCC[N@@H+](Cc1cccc(Br)c1)CC1CC1 ZINC000191453542 655398857 /nfs/dbraw/zinc/39/88/57/655398857.db2.gz HXLRQXJQKPJZEG-UHFFFAOYSA-N 1 0 384.274 2.856 20 0 GFADRO O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)C1(c2cccc(Br)c2)CC1 ZINC000366195534 655399690 /nfs/dbraw/zinc/39/96/90/655399690.db2.gz MPSFPXRVQHPVMB-KRWDZBQOSA-N 1 0 393.325 2.850 20 0 GFADRO C[C@@H](Oc1ccc(Br)cc1)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000366194471 655399704 /nfs/dbraw/zinc/39/97/04/655399704.db2.gz HWADZJOFXITUHN-CJNGLKHVSA-N 1 0 397.313 2.586 20 0 GFADRO CCc1ccc([C@@H](CNC(=O)c2cc(Br)nn2C)[NH+](C)C)cc1 ZINC000191885751 655401149 /nfs/dbraw/zinc/40/11/49/655401149.db2.gz JXEGHKIFMAPLFT-OAHLLOKOSA-N 1 0 379.302 2.778 20 0 GFADRO CCN1CC[C@H]([NH2+]C[C@H](C)CS(C)(=O)=O)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000374767226 655402073 /nfs/dbraw/zinc/40/20/73/655402073.db2.gz NRQLLZAWQUBJLW-XNJJOIOASA-N 1 0 378.460 2.510 20 0 GFADRO Cn1nc(Br)cc1C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000192124298 655402660 /nfs/dbraw/zinc/40/26/60/655402660.db2.gz SHZLSCKZJYMOGC-AWEZNQCLSA-N 1 0 377.286 2.577 20 0 GFADRO CN(Cn1c(=O)oc2cc(F)c(Br)cc21)CC1([NH+](C)C)CCC1 ZINC000192163855 655403162 /nfs/dbraw/zinc/40/31/62/655403162.db2.gz HNOYUXWBINHWSP-UHFFFAOYSA-N 1 0 386.265 2.870 20 0 GFADRO C[C@H](NC(=O)N(C)CCOc1ccc(Br)cc1)[C@@H]1CCC[NH2+]C1 ZINC000418351875 655405712 /nfs/dbraw/zinc/40/57/12/655405712.db2.gz UKZFXRKOKKOUHI-UONOGXRCSA-N 1 0 384.318 2.857 20 0 GFADRO O=C(c1ccc(Cl)c(I)c1)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000424033209 655407885 /nfs/dbraw/zinc/40/78/85/655407885.db2.gz XJQWVJSGAJQYJA-CQSZACIVSA-N 1 0 390.652 2.913 20 0 GFADRO O=S(=O)(Cc1ccc(Cl)cc1Br)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000420477676 655407538 /nfs/dbraw/zinc/40/75/38/655407538.db2.gz UWHJQKOTOZTXNE-CQSZACIVSA-N 1 0 393.734 2.760 20 0 GFADRO Cc1cc(Br)c(C[N@@H+]2CCC[C@@](O)(C(=O)N3CCCC3)C2)s1 ZINC000453606535 655411988 /nfs/dbraw/zinc/41/19/88/655411988.db2.gz YNPYFVSUOURGSJ-INIZCTEOSA-N 1 0 387.343 2.768 20 0 GFADRO CCOC(=O)N1CCC[N@H+](C[C@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000194854961 655417851 /nfs/dbraw/zinc/41/78/51/655417851.db2.gz BONIJSDBGDUJJZ-AWEZNQCLSA-N 1 0 391.295 2.897 20 0 GFADRO O[C@H](C[NH2+]CC1(N2CCSCC2)CCCCC1)COCc1cccs1 ZINC000517925873 655419222 /nfs/dbraw/zinc/41/92/22/655419222.db2.gz KRHKKNUSNGEXDO-QGZVFWFLSA-N 1 0 384.611 2.967 20 0 GFADRO CC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)Cc2ccccc2Br)C1 ZINC000553502437 655422271 /nfs/dbraw/zinc/42/22/71/655422271.db2.gz ZCCFPYKZQHUCAD-ZDUSSCGKSA-N 1 0 375.332 2.553 20 0 GFADRO CCC([NH3+])(CC)CNS(=O)(=O)c1cc(C(=O)OC)c(Cl)cc1Cl ZINC000236849381 655425014 /nfs/dbraw/zinc/42/50/14/655425014.db2.gz ZHSUYVZNUDHBOE-UHFFFAOYSA-N 1 0 383.297 2.576 20 0 GFADRO Cc1cc(S(=O)(=O)N(C)C2CCC([NH3+])CC2)c(C)cc1Br ZINC000237026266 655425401 /nfs/dbraw/zinc/42/54/01/655425401.db2.gz MOSUFHLXQZIHCH-UHFFFAOYSA-N 1 0 375.332 2.956 20 0 GFADRO C=CCOc1c(Br)cc(C[NH2+][C@H](C)CN2CCOCC2)cc1OC ZINC000237208917 655425966 /nfs/dbraw/zinc/42/59/66/655425966.db2.gz YUWKPWNYMIAFNB-CQSZACIVSA-N 1 0 399.329 2.833 20 0 GFADRO CC(=O)N[C@@H](CC(=O)N(C)C1CCC([NH3+])CC1)c1ccc(Br)cc1 ZINC000237215859 655425985 /nfs/dbraw/zinc/42/59/85/655425985.db2.gz KJNQYDFGJCCYIZ-JCYILVPMSA-N 1 0 396.329 2.745 20 0 GFADRO CCCCN(C)C[C@@H](C)[NH2+]CCS(=O)(=O)c1cccc(Br)c1 ZINC000574195187 655426245 /nfs/dbraw/zinc/42/62/45/655426245.db2.gz NKNZEOVQKPFHDS-CQSZACIVSA-N 1 0 391.375 2.933 20 0 GFADRO [NH3+][C@@H](CNC(=O)c1nn(-c2cccc(Br)c2)c2c1CCC2)C1CC1 ZINC000238062450 655426994 /nfs/dbraw/zinc/42/69/94/655426994.db2.gz HHYMCJLEEMBKLI-HNNXBMFYSA-N 1 0 389.297 2.591 20 0 GFADRO [NH3+]CC1(NC(=O)c2ccc(Cl)c(I)c2)CCCC1 ZINC000238019882 655427006 /nfs/dbraw/zinc/42/70/06/655427006.db2.gz LJJXYHHQKKJAAO-UHFFFAOYSA-N 1 0 378.641 2.946 20 0 GFADRO CC(C)(C[NH2+]C[C@@H](O)COc1cc(Cl)ccc1Cl)C1(O)CCOCC1 ZINC000574312105 655428833 /nfs/dbraw/zinc/42/88/33/655428833.db2.gz IDLMLACNVDJPMF-CQSZACIVSA-N 1 0 392.323 2.890 20 0 GFADRO CC[NH+](CC)CCNS(=O)(=O)c1cc(Cl)c(OCCOC)c(Cl)c1 ZINC000574359612 655429667 /nfs/dbraw/zinc/42/96/67/655429667.db2.gz VBJIYYAWYYWUPR-UHFFFAOYSA-N 1 0 399.340 2.639 20 0 GFADRO FC(F)(F)Cn1cnn(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1=S ZINC000246760385 655430572 /nfs/dbraw/zinc/43/05/72/655430572.db2.gz YBOGQJVZZYNKJW-GXTWGEPZSA-N 1 0 375.464 2.883 20 0 GFADRO CC[C@@H]1C[N@H+](C)CCN1C(=O)CNC(=O)c1sc2ccccc2c1Cl ZINC000574834985 655431726 /nfs/dbraw/zinc/43/17/26/655431726.db2.gz BUXCNJWZUFWYDG-GFCCVEGCSA-N 1 0 379.913 2.837 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)c1cn(-c2ccc(Br)cc2)cn1 ZINC000574982216 655433892 /nfs/dbraw/zinc/43/38/92/655433892.db2.gz QNFZXWGOIOTQJC-BLLLJJGKSA-N 1 0 377.286 2.977 20 0 GFADRO CC(C)OC(=O)C[C@@H]1CCCN(Cc2cc(Cl)cc(S(N)(=O)=O)c2)C1 ZINC000575805213 655437494 /nfs/dbraw/zinc/43/74/94/655437494.db2.gz IBTVZERHURVTNR-ZDUSSCGKSA-N 1 0 388.917 2.541 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+][C@@H](c2ccccc2)[C@H]2CCOC2)cc1Cl ZINC000575850102 655438445 /nfs/dbraw/zinc/43/84/45/655438445.db2.gz OETVHUSYZWFTBA-YJBOKZPZSA-N 1 0 380.897 2.855 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1CN1CCC[C@@H]([C@H](C)O)C1 ZINC000575870452 655438858 /nfs/dbraw/zinc/43/88/58/655438858.db2.gz RLDNNQZEXXKKPC-MELADBBJSA-N 1 0 399.329 2.555 20 0 GFADRO COC[C@@]1(CNC(=O)c2cnn(-c3ccc(Cl)cc3Cl)c2)CCC[NH2+]1 ZINC000575915666 655439876 /nfs/dbraw/zinc/43/98/76/655439876.db2.gz ISGLXRCNKXUBMB-KRWDZBQOSA-N 1 0 383.279 2.678 20 0 GFADRO COCCN(Cc1sccc1Br)C(=O)CC[C@H]1CC[NH2+]C1 ZINC000575986667 655441616 /nfs/dbraw/zinc/44/16/16/655441616.db2.gz LIOUGJCVIWJYMQ-LBPRGKRZSA-N 1 0 375.332 2.875 20 0 GFADRO C[NH2+][C@@H]1CCCN(C(=O)[C@H](c2ccc(Cl)cc2Cl)N2CCOCC2)C1 ZINC000261677136 655441747 /nfs/dbraw/zinc/44/17/47/655441747.db2.gz HAOAOSUJANVCHH-PBHICJAKSA-N 1 0 386.323 2.577 20 0 GFADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)N[C@H]2CCc3sc(Cl)cc32)CC1 ZINC000576039080 655442404 /nfs/dbraw/zinc/44/24/04/655442404.db2.gz HSNDAHCWACANLE-ZFWWWQNUSA-N 1 0 384.977 2.962 20 0 GFADRO Cc1cc(S(=O)(=O)N2C[C@H]([NH3+])Cc3ccccc32)ccc1Br ZINC000262030303 655443540 /nfs/dbraw/zinc/44/35/40/655443540.db2.gz YTEXKYNXMAPXLD-CYBMUJFWSA-N 1 0 381.295 2.836 20 0 GFADRO CC(=O)N[C@@H](Cc1nc(C2([NH3+])CCC2)no1)c1ccc(Br)cc1 ZINC000262026678 655443548 /nfs/dbraw/zinc/44/35/48/655443548.db2.gz WPSAYWKBFMTWMK-ZDUSSCGKSA-N 1 0 379.258 2.590 20 0 GFADRO OC[C@@H](CC1CCC1)[NH2+]C[C@H](O)COc1ccc(Cl)cc1Br ZINC000576466726 655447935 /nfs/dbraw/zinc/44/79/35/655447935.db2.gz WYHFWFJEISTMMW-KGLIPLIRSA-N 1 0 392.721 2.983 20 0 GFADRO Cc1cc(S(=O)(=O)N2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)c(Cl)cc1F ZINC000576733340 655451872 /nfs/dbraw/zinc/45/18/72/655451872.db2.gz QNONPEFSILSNAO-WBVHZDCISA-N 1 0 390.908 2.695 20 0 GFADRO Cc1cc(S(=O)(=O)N2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)c(Cl)cc1F ZINC000576733338 655451950 /nfs/dbraw/zinc/45/19/50/655451950.db2.gz QNONPEFSILSNAO-NVXWUHKLSA-N 1 0 390.908 2.695 20 0 GFADRO CCSc1ccc(Cl)cc1NC(=O)NCCC(=O)N1CCN(C)CC1 ZINC000576774684 655452456 /nfs/dbraw/zinc/45/24/56/655452456.db2.gz IFHYLHXTZWZACV-UHFFFAOYSA-N 1 0 384.933 2.738 20 0 GFADRO O=S(=O)(Cc1cc(Cl)ccc1Br)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000576873583 655453628 /nfs/dbraw/zinc/45/36/28/655453628.db2.gz XIHXNKJEDHGRMS-OLZOCXBDSA-N 1 0 393.734 2.759 20 0 GFADRO CCS(=O)(=O)c1ccc(CC(=O)NC[C@@H](c2cccs2)[NH+](C)C)cc1 ZINC000263990850 655455638 /nfs/dbraw/zinc/45/56/38/655455638.db2.gz HSDKRIUZBSEDNH-INIZCTEOSA-N 1 0 380.535 2.503 20 0 GFADRO COCC[N@@H+]1CC[C@H](NC(=O)c2cc(Cl)c(Br)cc2OC)C1 ZINC000577064408 655456833 /nfs/dbraw/zinc/45/68/33/655456833.db2.gz AVHZXNVRJOFGIX-JTQLQIEISA-N 1 0 391.693 2.562 20 0 GFADRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)Nc1cc(Br)cnc1-n1cccn1 ZINC000577361643 655457680 /nfs/dbraw/zinc/45/76/80/655457680.db2.gz XNJDGBNUYZPFED-ZDUSSCGKSA-N 1 0 393.289 2.588 20 0 GFADRO CS(=O)(=O)N1CC[C@@H](C[NH2+]Cc2cc3cc(Br)ccc3o2)C1 ZINC000577388718 655458437 /nfs/dbraw/zinc/45/84/37/655458437.db2.gz LKSFWUZURYHRAL-NSHDSACASA-N 1 0 387.299 2.566 20 0 GFADRO CNC(=O)c1ccc(C[N@H+](C)C[C@H](O)c2ccc(Br)cc2)cc1 ZINC000264218716 655459166 /nfs/dbraw/zinc/45/91/66/655459166.db2.gz OPFVOUKJNXPFJG-KRWDZBQOSA-N 1 0 377.282 2.974 20 0 GFADRO O=C(NCC1([NH+]2CCCC2)CCOCC1)c1ccc(Br)cc1F ZINC000264243212 655459625 /nfs/dbraw/zinc/45/96/25/655459625.db2.gz JVTSBFJUDBSLHY-UHFFFAOYSA-N 1 0 385.277 2.963 20 0 GFADRO CN(Cc1ccccc1Cl)C(=O)C(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000577536391 655461451 /nfs/dbraw/zinc/46/14/51/655461451.db2.gz YVIBTMRJNOMHIY-OAHLLOKOSA-N 1 0 379.913 2.779 20 0 GFADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)NC1(c2ccc(Cl)c(Cl)c2)CC1 ZINC000264450243 655463993 /nfs/dbraw/zinc/46/39/93/655463993.db2.gz YJGUDPLEVOXXRK-CYBMUJFWSA-N 1 0 385.339 2.918 20 0 GFADRO O=C(c1cc(Cl)c(F)cc1Cl)N1CC[NH+]([C@@H]2CCNC(=O)CC2)CC1 ZINC000577712981 655465498 /nfs/dbraw/zinc/46/54/98/655465498.db2.gz GBTCJZQTLKQTHZ-NSHDSACASA-N 1 0 388.270 2.559 20 0 GFADRO Cc1ccc(-c2nc(NC(=O)C(=O)NC[C@@H]3CCC[N@H+]3C)sc2C)s1 ZINC000577855878 655468547 /nfs/dbraw/zinc/46/85/47/655468547.db2.gz CWEGRZVELOPAJX-LBPRGKRZSA-N 1 0 378.523 2.637 20 0 GFADRO Cc1ccc(Cl)c(OC[C@H](O)C[NH2+]C[C@@H]2CCN(CC(F)(F)F)C2)c1 ZINC000577947686 655470006 /nfs/dbraw/zinc/47/00/06/655470006.db2.gz TXONNPOYCMVTJJ-UONOGXRCSA-N 1 0 380.838 2.862 20 0 GFADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)/C=C/c1cc(C(F)(F)F)ccc1Cl ZINC000264767942 655470108 /nfs/dbraw/zinc/47/01/08/655470108.db2.gz PJNYKHMQJCUJMN-BOTMBNHJSA-N 1 0 375.822 2.734 20 0 GFADRO COc1ccc(NC(=O)NC2CCN(CC[NH+](C)C)CC2)cc1Br ZINC000264787613 655470483 /nfs/dbraw/zinc/47/04/83/655470483.db2.gz CJCOJKHXQPXQOG-UHFFFAOYSA-N 1 0 399.333 2.605 20 0 GFADRO NS(=O)(=O)c1cc(Cl)cc(C[N@@H+]2CCCC[C@@H]2[C@H]2CCCC[C@H]2O)c1 ZINC000578017375 655471245 /nfs/dbraw/zinc/47/12/45/655471245.db2.gz ZYTPCMKLHMINII-KZNAEPCWSA-N 1 0 386.945 2.893 20 0 GFADRO COCC[N@H+](C)C[C@@H](O)CSc1nnc(Nc2ccc(C)c(C)c2)s1 ZINC000578026165 655471545 /nfs/dbraw/zinc/47/15/45/655471545.db2.gz KZIJMRABFAKMHO-OAHLLOKOSA-N 1 0 382.555 2.930 20 0 GFADRO C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)Nc2nc(C(F)(F)F)cs2)CC1 ZINC000264842530 655471831 /nfs/dbraw/zinc/47/18/31/655471831.db2.gz WJAVVHNOWSYNLM-SNVBAGLBSA-N 1 0 380.436 2.718 20 0 GFADRO Cc1ccc(S(=O)(=O)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)c(Br)c1 ZINC000578120255 655472946 /nfs/dbraw/zinc/47/29/46/655472946.db2.gz BUSQYVHNAOBSAS-INIZCTEOSA-N 1 0 387.343 2.864 20 0 GFADRO C[C@@H](Oc1ccc(Br)cc1)C(=O)N1CCNC[C@H]1c1ccncc1 ZINC000578126793 655473104 /nfs/dbraw/zinc/47/31/04/655473104.db2.gz KQBDKNZFPOUGHH-DYVFJYSZSA-N 1 0 390.281 2.785 20 0 GFADRO CCOc1cc(C[NH2+][C@H](C)CS(=O)(=O)CC)ccc1OCC(F)(F)F ZINC000264987273 655475375 /nfs/dbraw/zinc/47/53/75/655475375.db2.gz WBRZPYDMCANZIO-GFCCVEGCSA-N 1 0 383.432 2.939 20 0 GFADRO C[C@H]([NH2+]C[C@H](O)COc1ccc(Br)cc1)[C@H](O)Cc1ccccc1 ZINC000578359363 655477201 /nfs/dbraw/zinc/47/72/01/655477201.db2.gz WHFNQNQXAATHJO-UCLAIMLFSA-N 1 0 394.309 2.771 20 0 GFADRO CN(C(=O)Nc1ccc(-c2ccc(Br)s2)nn1)[C@@H](C[NH3+])C1CC1 ZINC000578423346 655478534 /nfs/dbraw/zinc/47/85/34/655478534.db2.gz SXUMHLZIANETBU-NSHDSACASA-N 1 0 396.314 3.169 20 0 GFADRO O=C(N[C@H](CO)c1cccc(Br)c1)NC1CC[NH+](C2CCC2)CC1 ZINC000578433686 655478860 /nfs/dbraw/zinc/47/88/60/655478860.db2.gz CAFUWVJIMDXFAK-QGZVFWFLSA-N 1 0 396.329 2.799 20 0 GFADRO CSc1nc2ccc(NC(=O)C(=O)NC[C@H](C)[N@H+](C)C3CC3)cc2s1 ZINC000265418273 655482974 /nfs/dbraw/zinc/48/29/74/655482974.db2.gz ZYXOGGNQJZCBJY-JTQLQIEISA-N 1 0 378.523 2.556 20 0 GFADRO COc1sc(C[NH2+][C@@H](CCSC)C(=O)N(C)C)cc1Br ZINC000578672656 655484378 /nfs/dbraw/zinc/48/43/78/655484378.db2.gz PDNOJABWPDIMSV-NSHDSACASA-N 1 0 381.361 2.819 20 0 GFADRO C[C@H](CC[NH+](C)C)NC(=O)c1nn(-c2ccc(F)cc2)cc1Br ZINC000265611410 655487204 /nfs/dbraw/zinc/48/72/04/655487204.db2.gz XEFMBRKKETZIBW-LLVKDONJSA-N 1 0 383.265 2.844 20 0 GFADRO C[NH+](C)CCOc1cnccc1CNC(=O)Cc1ccc(Br)cc1 ZINC000579170119 655495305 /nfs/dbraw/zinc/49/53/05/655495305.db2.gz CXJWPQZDUHRYAK-UHFFFAOYSA-N 1 0 392.297 2.643 20 0 GFADRO O[C@@H](C[NH2+]Cc1cn2ccc(Br)cc2n1)COc1ccc(F)cc1 ZINC000579294250 655497152 /nfs/dbraw/zinc/49/71/52/655497152.db2.gz KGTBUVXQLAQAGD-HNNXBMFYSA-N 1 0 394.244 2.765 20 0 GFADRO O=C(Nc1ccc(Br)cc1)C1CC[NH+](C[C@@H]2CCCNC2=O)CC1 ZINC000579444433 655499751 /nfs/dbraw/zinc/49/97/51/655499751.db2.gz RVEXWTRZJGJGIC-AWEZNQCLSA-N 1 0 394.313 2.626 20 0 GFADRO COC[C@]1(CNC(=O)Cc2csc(-c3ccc(Cl)cc3)n2)CCC[NH2+]1 ZINC000579597814 655502018 /nfs/dbraw/zinc/50/20/18/655502018.db2.gz GDSKHMNNHYEPHT-GOSISDBHSA-N 1 0 379.913 2.891 20 0 GFADRO O=C(Cc1csc(-c2ccc(Cl)s2)n1)NC[C@]1(O)C[NH+]2CCC1CC2 ZINC000579744294 655503464 /nfs/dbraw/zinc/50/34/64/655503464.db2.gz ZEDQDWZWLJEVOY-KRWDZBQOSA-N 1 0 397.953 2.640 20 0 GFADRO O=S1(=O)CCC(CC[NH2+]C[C@@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000580182655 655509461 /nfs/dbraw/zinc/50/94/61/655509461.db2.gz ACFACLOQHXNQSA-CQSZACIVSA-N 1 0 396.336 2.538 20 0 GFADRO [NH3+]CCC1CCN(S(=O)(=O)c2cc(Br)sc2Cl)CC1 ZINC000580336388 655511213 /nfs/dbraw/zinc/51/12/13/655511213.db2.gz KSLCWMNNQNQKMO-UHFFFAOYSA-N 1 0 387.752 2.914 20 0 GFADRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)c1cnn(C)c1Br ZINC000708775513 655522301 /nfs/dbraw/zinc/52/23/01/655522301.db2.gz XGTSPTPWBVIAKX-ZFWWWQNUSA-N 1 0 391.313 2.681 20 0 GFADRO [NH3+]C[C@H]1CN(Cc2ccc(I)cc2)C[C@H]1C(F)(F)F ZINC000720818442 655524836 /nfs/dbraw/zinc/52/48/36/655524836.db2.gz VIEFNUVXINBQQW-CMPLNLGQSA-N 1 0 384.183 2.860 20 0 GFADRO CC(C)(C[NH2+]CCC1CCN(C(=O)OC(C)(C)C)CC1)CS(C)(=O)=O ZINC000723875410 655525723 /nfs/dbraw/zinc/52/57/23/655525723.db2.gz ZFLUTIANINZDHU-UHFFFAOYSA-N 1 0 376.563 2.684 20 0 GFADRO COCC[N@H+](C)CCNC(=O)c1ccc(-c2ccc(Br)cc2)n1C ZINC000726983136 655540331 /nfs/dbraw/zinc/54/03/31/655540331.db2.gz LHVQRZUROWFKOY-UHFFFAOYSA-N 1 0 394.313 2.763 20 0 GFADRO C[NH+](C)CC(C)(C)CNC(=S)NC[C@H](O)c1ccccc1C(F)(F)F ZINC000727085265 655541746 /nfs/dbraw/zinc/54/17/46/655541746.db2.gz QECZSRHFCRYKFO-AWEZNQCLSA-N 1 0 377.476 2.791 20 0 GFADRO O=S(=O)(/C=C/c1ccc(Cl)cc1)NCC1([NH+]2CCCC2)CCOCC1 ZINC000729492378 655565207 /nfs/dbraw/zinc/56/52/07/655565207.db2.gz FBOHROKZZNPFDP-VGOFMYFVSA-N 1 0 384.929 2.875 20 0 GFADRO O=C(NCc1nc2cc(Cl)ccc2s1)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000729498884 655565597 /nfs/dbraw/zinc/56/55/97/655565597.db2.gz ZJWWRQCGNKRALU-STQMWFEESA-N 1 0 380.901 2.612 20 0 GFADRO COCC[N@@H+]1CCC[C@H](NC(=O)/C=C\c2ccc(C)cc2Br)C1 ZINC000729984259 655570748 /nfs/dbraw/zinc/57/07/48/655570748.db2.gz YKYAHESLZVJZAH-PTZVLDCSSA-N 1 0 381.314 2.998 20 0 GFADRO Cc1ccc(/C=C/C(=O)N[C@@H](C)CN2CC[NH+](C)CC2)c(Br)c1 ZINC000730227307 655572588 /nfs/dbraw/zinc/57/25/88/655572588.db2.gz BJQKVJJNEAAHFL-LFAOLKIESA-N 1 0 380.330 2.523 20 0 GFADRO O=C(NCCCc1cccc(Br)c1)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000731220863 655582542 /nfs/dbraw/zinc/58/25/42/655582542.db2.gz WHEWLXRHNNBDFC-DLBZAZTESA-N 1 0 396.329 2.544 20 0 GFADRO CN([C@H]1CC[N@@H+](C2CC2)C1)S(=O)(=O)/C=C\c1ccc(Br)cc1 ZINC000732226754 655593592 /nfs/dbraw/zinc/59/35/92/655593592.db2.gz OXTNJECTNNBNBG-SLWQEBJJSA-N 1 0 385.327 2.918 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CNC(=S)Nc1cccc(CS(=O)(=O)C(C)C)c1 ZINC000732725253 655600893 /nfs/dbraw/zinc/60/08/93/655600893.db2.gz QYAFKRBGXSZTMS-QGZVFWFLSA-N 1 0 383.583 2.781 20 0 GFADRO C[N@H+](CCC(=O)Nc1ccccc1Cl)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000732815043 655602841 /nfs/dbraw/zinc/60/28/41/655602841.db2.gz VYINIFSHKMIGCH-CYBMUJFWSA-N 1 0 377.794 2.764 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)N1CCO[C@@H](c2ccccc2Br)C1 ZINC000734286132 655628616 /nfs/dbraw/zinc/62/86/16/655628616.db2.gz ZWNDNAQDSDWALW-CXAGYDPISA-N 1 0 394.313 2.769 20 0 GFADRO C[NH+](C)CCNC(=S)Nc1cccc(C[S@@](=O)Cc2ccccc2)c1 ZINC000734763432 655634386 /nfs/dbraw/zinc/63/43/86/655634386.db2.gz UGWVNLHLAIFKJH-VWLOTQADSA-N 1 0 375.563 2.984 20 0 GFADRO O=C(/C=C/c1ccc(Br)o1)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000736233617 655660378 /nfs/dbraw/zinc/66/03/78/655660378.db2.gz ZXOGDRRUGLSOKN-CXLRFSCWSA-N 1 0 383.286 2.672 20 0 GFADRO S=c1n(Cc2cccs2)nnn1CN1CCC(C[NH+]2CCCC2)CC1 ZINC000738070801 655684797 /nfs/dbraw/zinc/68/47/97/655684797.db2.gz AOFCEMIYLUARFP-UHFFFAOYSA-N 1 0 378.571 2.684 20 0 GFADRO CC(C)[N@H+](C)CC1CCN(Cn2nnn(Cc3cccs3)c2=S)CC1 ZINC000738089727 655685319 /nfs/dbraw/zinc/68/53/19/655685319.db2.gz LFYBACISLSOITA-UHFFFAOYSA-N 1 0 380.587 2.929 20 0 GFADRO Cc1nc(-c2ccc(Br)cc2)nn1CN1CCC[C@H]([NH+](C)C)C1 ZINC000738144405 655685826 /nfs/dbraw/zinc/68/58/26/655685826.db2.gz PMOYZJCTLITNTR-INIZCTEOSA-N 1 0 378.318 3.000 20 0 GFADRO C[NH+](C)C[C@H](Cc1ccccc1)NS(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000738359882 655689753 /nfs/dbraw/zinc/68/97/53/655689753.db2.gz DXELYFMNLLJRQT-ZDUSSCGKSA-N 1 0 388.320 2.840 20 0 GFADRO O=Cc1ccc(OCC(=O)N2CC[C@H]([NH+]3CCCCC3)C2)c(Br)c1 ZINC000742650527 655719924 /nfs/dbraw/zinc/71/99/24/655719924.db2.gz UETBUTDSSCOLLX-HNNXBMFYSA-N 1 0 395.297 2.727 20 0 GFADRO CC[C@H](CO)[NH+]1CCN(C(=S)Nc2ccc(OC(F)(F)F)cc2)CC1 ZINC000743017843 655724800 /nfs/dbraw/zinc/72/48/00/655724800.db2.gz IRYFDZPGZLNJLX-CYBMUJFWSA-N 1 0 377.432 2.671 20 0 GFADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)Nc1c(F)cc(Br)cc1F ZINC000743214284 655726959 /nfs/dbraw/zinc/72/69/59/655726959.db2.gz GMCIHUALMITQJT-MNOVXSKESA-N 1 0 390.228 2.712 20 0 GFADRO O=C(Nc1cccc(Cl)c1SC(F)F)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000743919300 655732780 /nfs/dbraw/zinc/73/27/80/655732780.db2.gz FGPLJVWMJRFBDB-VIFPVBQESA-N 1 0 389.855 2.946 20 0 GFADRO COCCC[N@H+](C)CCNC(=S)N[C@@H](C)c1ccc(Br)cc1 ZINC000840732284 661180480 /nfs/dbraw/zinc/18/04/80/661180480.db2.gz VWRABZGQCTZJIC-ZDUSSCGKSA-N 1 0 388.375 2.943 20 0 GFADRO Cc1ccc(Br)cc1C(=O)OCC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000745254735 655749500 /nfs/dbraw/zinc/74/95/00/655749500.db2.gz GNOAUQLESGHZKT-UHFFFAOYSA-N 1 0 397.313 2.903 20 0 GFADRO CC(C)[NH+]1CCC(NC(=O)COC(=O)[C@H]2SCCc3sccc32)CC1 ZINC000745636023 655753609 /nfs/dbraw/zinc/75/36/09/655753609.db2.gz AJOURUMWVPUOKJ-KRWDZBQOSA-N 1 0 382.551 2.611 20 0 GFADRO COC(=O)Nc1cccc(C[NH2+][C@@H](C)Cn2cc(Br)ccc2=O)c1 ZINC000840748610 661183048 /nfs/dbraw/zinc/18/30/48/661183048.db2.gz BMCVSDADGSGSSZ-LBPRGKRZSA-N 1 0 394.269 2.967 20 0 GFADRO CC(C)[NH+](CCCNS(=O)(=O)c1c(Cl)nc2sccn21)C(C)C ZINC000746053470 655757970 /nfs/dbraw/zinc/75/79/70/655757970.db2.gz LIIBEVQSUMNXNF-UHFFFAOYSA-N 1 0 378.951 2.836 20 0 GFADRO C[C@@H]1CCC[N@@H+]1CCNC(=O)C(=O)Nc1ccc(Br)c(Cl)c1 ZINC000746423506 655761300 /nfs/dbraw/zinc/76/13/00/655761300.db2.gz UHOKDEZUFXHUKL-SNVBAGLBSA-N 1 0 388.693 2.642 20 0 GFADRO C[NH+](C)CCCNC(=S)N1CCO[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000747670017 655781652 /nfs/dbraw/zinc/78/16/52/655781652.db2.gz CKOPPFXUSJZVOR-OAHLLOKOSA-N 1 0 375.460 2.905 20 0 GFADRO O=C(Nc1ccc(Br)cn1)[C@H]1CCC[N@H+](CCC2OCCCO2)C1 ZINC000748050954 655786697 /nfs/dbraw/zinc/78/66/97/655786697.db2.gz IWMAKHFCAOFLCB-ZDUSSCGKSA-N 1 0 398.301 2.648 20 0 GFADRO C[C@H](NC(=O)c1cn(-c2ccccc2Br)nn1)C(C)(C)C[NH+](C)C ZINC000748327912 655789786 /nfs/dbraw/zinc/78/97/86/655789786.db2.gz VGNVERAYZWJTKK-LBPRGKRZSA-N 1 0 394.317 2.736 20 0 GFADRO C[NH+](C)[C@]1(CNC(=O)NCc2ccc(Br)cc2F)CCSC1 ZINC000748633956 655793010 /nfs/dbraw/zinc/79/30/10/655793010.db2.gz VIIQRTOLOLFSDT-HNNXBMFYSA-N 1 0 390.322 2.825 20 0 GFADRO C[NH+](C)[C@@]1(CNS(=O)(=O)c2ccc(OC3CCCC3)cc2)CCSC1 ZINC000748651337 655793347 /nfs/dbraw/zinc/79/33/47/655793347.db2.gz GEXAREUEQIDGRX-GOSISDBHSA-N 1 0 384.567 2.724 20 0 GFADRO COc1cc(Br)ccc1C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000748847874 655796092 /nfs/dbraw/zinc/79/60/92/655796092.db2.gz NIAWCGSJTJUEAU-OAHLLOKOSA-N 1 0 397.313 2.831 20 0 GFADRO CC(C)N(CC[NH+](C)C)C(=O)/C=C/c1ccc(I)o1 ZINC000749027156 655798873 /nfs/dbraw/zinc/79/88/73/655798873.db2.gz UGJQVQJUEYDCTB-SOFGYWHQSA-N 1 0 376.238 2.696 20 0 GFADRO OCC1([NH2+]C[C@H](O)COc2ccc(Cl)cc2Br)CCCC1 ZINC000749448550 655805113 /nfs/dbraw/zinc/80/51/13/655805113.db2.gz KLRNGBLBMPOGRL-LBPRGKRZSA-N 1 0 378.694 2.737 20 0 GFADRO Cc1ccc(/C=C\C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)c(Br)c1 ZINC000749510199 655805478 /nfs/dbraw/zinc/80/54/78/655805478.db2.gz XTDUNKKZZOWVJR-AWFCHZOYSA-N 1 0 393.325 2.951 20 0 GFADRO O=c1oc2ccc(Br)cc2n1CN1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000749956536 655809584 /nfs/dbraw/zinc/80/95/84/655809584.db2.gz WJVOTGOCBJTXSN-ZDUSSCGKSA-N 1 0 380.286 2.732 20 0 GFADRO C[N@H+](CC1CC1)C[C@H]1CCN(Cn2c3cc(Br)ccc3oc2=O)C1 ZINC000749959093 655809637 /nfs/dbraw/zinc/80/96/37/655809637.db2.gz MVNCRJBHROPTOM-CQSZACIVSA-N 1 0 394.313 2.978 20 0 GFADRO CCC[N@H+](C)C[C@H]1CCN(Cn2c3cc(Br)ccc3oc2=O)C1 ZINC000749959012 655809659 /nfs/dbraw/zinc/80/96/59/655809659.db2.gz GINGJEYZRIVVBU-CYBMUJFWSA-N 1 0 382.302 2.978 20 0 GFADRO O=C(Nc1ccc([S@@](=O)C(F)(F)F)cc1)N1CC[NH+](CC2CC2)CC1 ZINC000750624206 655815838 /nfs/dbraw/zinc/81/58/38/655815838.db2.gz JHPLVHPDCMXDAA-RUZDIDTESA-N 1 0 375.416 2.874 20 0 GFADRO O=S(=O)(CC[NH2+]C[C@H](O)c1ccccc1)c1cccc(Br)c1 ZINC000751037582 655820693 /nfs/dbraw/zinc/82/06/93/655820693.db2.gz FHLDSSFUUODQQV-INIZCTEOSA-N 1 0 384.295 2.546 20 0 GFADRO O=S(=O)(Cc1ccccc1)N1CCC([NH2+]Cc2ccc(Cl)nc2)CC1 ZINC000751507936 655830290 /nfs/dbraw/zinc/83/02/90/655830290.db2.gz WSYPDXYNLLXHIK-UHFFFAOYSA-N 1 0 379.913 2.819 20 0 GFADRO C[C@H]1C[N@H+](CN2C(=O)N[C@@](C)(c3ccc(Br)cc3)C2=O)C[C@H]1C ZINC000751924644 655836132 /nfs/dbraw/zinc/83/61/32/655836132.db2.gz CMHQYLCVYZZDIE-JKDFXYPNSA-N 1 0 380.286 2.761 20 0 GFADRO CC[N@@H+]1CCCN(C(=O)c2cnn(-c3ccccc3)c2Br)CC1 ZINC000753818794 655859426 /nfs/dbraw/zinc/85/94/26/655859426.db2.gz SPFKPEYFQRXHNK-UHFFFAOYSA-N 1 0 377.286 2.803 20 0 GFADRO C[C@H](NC(=O)C[NH2+][C@@H](C)c1cccc(NS(C)(=O)=O)c1)c1cccs1 ZINC000753913035 655860865 /nfs/dbraw/zinc/86/08/65/655860865.db2.gz SQORDDWRIGVZOI-STQMWFEESA-N 1 0 381.523 2.648 20 0 GFADRO CC[NH+]1CCN(c2ccc(NCc3ccc(S(C)(=O)=O)s3)cc2)CC1 ZINC000840879029 661197810 /nfs/dbraw/zinc/19/78/10/661197810.db2.gz LDCKPDCMTBSNQG-UHFFFAOYSA-N 1 0 379.551 2.906 20 0 GFADRO O=S(=O)(CC[NH2+][C@H](c1ccc(Br)cc1)[C@H]1CCCO1)C1CC1 ZINC000840884651 661198538 /nfs/dbraw/zinc/19/85/38/661198538.db2.gz RZHJEWIVMISETJ-HZPDHXFCSA-N 1 0 388.327 2.836 20 0 GFADRO CC[NH+](CC)CCOC(=O)[C@H]1CCC(=O)N1Cc1ccc(Br)cc1 ZINC000755718454 655887445 /nfs/dbraw/zinc/88/74/45/655887445.db2.gz BHKPGAKXTLMWBP-MRXNPFEDSA-N 1 0 397.313 2.825 20 0 GFADRO O=c1c(Br)nn(C[N@@H+]2CCC[C@H]([C@@H]3CCOC3)C2)c2ccccc12 ZINC000755754360 655888508 /nfs/dbraw/zinc/88/85/08/655888508.db2.gz WSDCNQZRYCOPKZ-UONOGXRCSA-N 1 0 392.297 2.865 20 0 GFADRO CC(C)[C@H](C[NH+](C)C)NC(=O)c1cn(-c2ccc(Br)cc2)cn1 ZINC000755902612 655891073 /nfs/dbraw/zinc/89/10/73/655891073.db2.gz HSRHKJDNBZNJSX-HNNXBMFYSA-N 1 0 379.302 2.951 20 0 GFADRO CC[C@H]1CC[N@H+](CN2C(=O)N[C@](C)(c3ccccc3Br)C2=O)C1 ZINC000755926487 655891413 /nfs/dbraw/zinc/89/14/13/655891413.db2.gz WYRMSIPNSQQITI-YVEFUNNKSA-N 1 0 380.286 2.906 20 0 GFADRO Cc1ccc(C(=O)N2CC[C@H](OCC[NH+]3CCCCC3)C2)c(Br)n1 ZINC000755970005 655892138 /nfs/dbraw/zinc/89/21/38/655892138.db2.gz BNWVOSAADZJBOL-HNNXBMFYSA-N 1 0 396.329 2.870 20 0 GFADRO C[C@@H](NC(=O)c1sccc1C[NH+](C)C)c1cccc(NS(C)(=O)=O)c1 ZINC000756042945 655893781 /nfs/dbraw/zinc/89/37/81/655893781.db2.gz WORVDHSXMAJZCT-GFCCVEGCSA-N 1 0 381.523 2.672 20 0 GFADRO CCOC(=O)/C=C\C[N@@H+]1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000756091268 655894538 /nfs/dbraw/zinc/89/45/38/655894538.db2.gz FINLFXUTNBYNSL-RYWCDNDXSA-N 1 0 396.285 2.614 20 0 GFADRO O=C(Nc1cnn(-c2cc[nH+]cc2)c1)c1cccnc1I ZINC000757992595 655921061 /nfs/dbraw/zinc/92/10/61/655921061.db2.gz DZLIUIBTTDTAFQ-UHFFFAOYSA-N 1 0 391.172 2.519 20 0 GFADRO Cc1nn(CN2CCC(C)(C[NH+]3CCN(C)CC3)CC2)c(C)c1Br ZINC000758263160 655927976 /nfs/dbraw/zinc/92/79/76/655927976.db2.gz HJHXVDQTCDFGFX-UHFFFAOYSA-N 1 0 398.393 2.569 20 0 GFADRO O=S(=O)(N1CCC([NH2+]Cc2nc3ccc(F)cc3s2)CC1)C(F)(F)F ZINC000758385739 655930925 /nfs/dbraw/zinc/93/09/25/655930925.db2.gz ZWRCTMOPEVPNFQ-UHFFFAOYSA-N 1 0 397.419 2.839 20 0 GFADRO O=C(CCc1cc(Br)ccc1F)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000758897485 655942947 /nfs/dbraw/zinc/94/29/47/655942947.db2.gz BAOPRNNKCYOZRK-CABCVRRESA-N 1 0 385.277 2.500 20 0 GFADRO CN(C(=O)c1cnn(-c2ccccc2)c1Br)[C@@H]1CCC[N@H+](C)C1 ZINC000760314177 655975491 /nfs/dbraw/zinc/97/54/91/655975491.db2.gz IGHVGYMUKIJSCM-CQSZACIVSA-N 1 0 377.286 2.801 20 0 GFADRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1cnn(-c2ccccc2)c1Br ZINC000760373834 655978009 /nfs/dbraw/zinc/97/80/09/655978009.db2.gz YQWMPZOMUOWOGC-BLLLJJGKSA-N 1 0 389.297 2.847 20 0 GFADRO C[NH+]1CCC(CNC(=S)N[C@@H]2CCN(c3ccc(Cl)c(F)c3)C2)CC1 ZINC000760499718 655982658 /nfs/dbraw/zinc/98/26/58/655982658.db2.gz NVLWNHOOLSSDDY-CQSZACIVSA-N 1 0 384.952 2.864 20 0 GFADRO O=C(CCCC[NH+]1CCCC1)NC[C@@H](CO)Cc1cccc(Br)c1 ZINC000760572546 655985284 /nfs/dbraw/zinc/98/52/84/655985284.db2.gz HBHWERVSPOXNCH-KRWDZBQOSA-N 1 0 397.357 2.982 20 0 GFADRO CC(C)[C@@H](C[NH+](C)C)NC(=O)c1cc(F)c(F)cc1I ZINC000760583985 655986486 /nfs/dbraw/zinc/98/64/86/655986486.db2.gz CRQOWWJJCQLTQN-CYBMUJFWSA-N 1 0 396.219 2.885 20 0 GFADRO C[NH+](C)[C@H]1CCCN(C(=O)c2cn(-c3ccccc3Br)nn2)CC1 ZINC000760757549 655991258 /nfs/dbraw/zinc/99/12/58/655991258.db2.gz IWGPFHKRUYNHBW-ZDUSSCGKSA-N 1 0 392.301 2.586 20 0 GFADRO COC1CC[NH+](C(C)(C)CNC(=O)N[C@@H]2CC[C@@H]3SCCS[C@@H]23)CC1 ZINC000762573061 656049612 /nfs/dbraw/zinc/04/96/12/656049612.db2.gz NISUDOXJJUWMPB-PMPSAXMXSA-N 1 0 387.615 2.555 20 0 GFADRO COc1cc(OCC[NH+](C)C)ccc1NCc1ccc(S(C)(=O)=O)s1 ZINC000840958617 661220556 /nfs/dbraw/zinc/22/05/56/661220556.db2.gz LODBFMACFQZHPH-UHFFFAOYSA-N 1 0 384.523 2.713 20 0 GFADRO C[C@H](Cc1ccc(F)c(Br)c1)NC(=S)NCCC[NH+](C)C ZINC000764490143 656112044 /nfs/dbraw/zinc/11/20/44/656112044.db2.gz OZEUJEIVCVMQNV-LLVKDONJSA-N 1 0 376.339 2.935 20 0 GFADRO Cc1cc(N[C@H]2CCN(c3ccc(Br)c(C)c3)C2=O)nc(N)[nH+]1 ZINC000765089469 656130935 /nfs/dbraw/zinc/13/09/35/656130935.db2.gz AJQCQWUYSYMZAM-ZDUSSCGKSA-N 1 0 376.258 2.656 20 0 GFADRO O=C(CCn1cc(Br)cn1)OC[C@@H]1CCC[N@@H+]1Cc1ccco1 ZINC000765966534 656156977 /nfs/dbraw/zinc/15/69/77/656156977.db2.gz GNNQURRRZIUZPD-AWEZNQCLSA-N 1 0 382.258 2.837 20 0 GFADRO COc1cc([C@H](C)[NH2+]CCN2CCC[C@H]2C)ccc1S(=O)(=O)C(F)F ZINC000766268422 656166949 /nfs/dbraw/zinc/16/69/49/656166949.db2.gz KZFRDPJMMBMYFU-OLZOCXBDSA-N 1 0 376.469 2.826 20 0 GFADRO Cc1nn(Cc2ccc(Cl)cc2Cl)c(Cl)c1CN(C)C[C@@H](O)C[NH3+] ZINC000841094305 661232333 /nfs/dbraw/zinc/23/23/33/661232333.db2.gz WOOMMBTYWXFXJK-ZDUSSCGKSA-N 1 0 391.730 2.951 20 0 GFADRO C[C@H](C[NH3+])N(C)C(=O)C(=O)Nc1ccccc1SC[C@@H]1CC1(Cl)Cl ZINC000841174238 661241328 /nfs/dbraw/zinc/24/13/28/661241328.db2.gz TZPNTZKZFMQWBN-MNOVXSKESA-N 1 0 390.336 2.717 20 0 GFADRO C[C@H](NC(=O)C[N@H+](C)[C@H]1CCSC1)[C@H](O)c1c(Cl)cccc1Cl ZINC000767088967 656193933 /nfs/dbraw/zinc/19/39/33/656193933.db2.gz QIWRVRPRIWZJAQ-MMPTUQATSA-N 1 0 377.337 2.969 20 0 GFADRO C[C@]1(CCNC(=O)C(=O)Nc2ccc3c(c2F)CC[NH2+]C3)CC1(Cl)Cl ZINC000841144190 661238187 /nfs/dbraw/zinc/23/81/87/661238187.db2.gz ZAELEZLJTQZHDT-INIZCTEOSA-N 1 0 388.270 2.500 20 0 GFADRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)Nc1cnc(Br)c(Br)c1 ZINC000841143431 661238228 /nfs/dbraw/zinc/23/82/28/661238228.db2.gz ZFNYYRSKTYYJCC-OIBJUYFYSA-N 1 0 392.095 2.726 20 0 GFADRO CCOc1c(Cl)cc(NC(=O)C(=O)NCC[N@@H+]2CCC[C@H]2C)cc1Cl ZINC000768171226 656233758 /nfs/dbraw/zinc/23/37/58/656233758.db2.gz AMFPVVYSBFCPBA-LLVKDONJSA-N 1 0 388.295 2.931 20 0 GFADRO CC(=O)N1CCC([NH+]2CCN(Cc3ccc(Br)cc3)CC2)CC1 ZINC000768318364 656237155 /nfs/dbraw/zinc/23/71/55/656237155.db2.gz JQXHQRPMQGQINH-UHFFFAOYSA-N 1 0 380.330 2.578 20 0 GFADRO CC(C)n1ncc2cc(C[NH2+]CCC3CCS(=O)(=O)CC3)c(Cl)nc21 ZINC000768654092 656248014 /nfs/dbraw/zinc/24/80/14/656248014.db2.gz ZDTSIPHXJRBBLU-UHFFFAOYSA-N 1 0 384.933 2.970 20 0 GFADRO O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cc(=O)c2cc(Br)ccc2o1 ZINC000841186087 661242663 /nfs/dbraw/zinc/24/26/63/661242663.db2.gz AVHVSXSSHXPFLM-QWHCGFSZSA-N 1 0 391.265 2.912 20 0 GFADRO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)Nc1cccc(Cl)c1SC(F)F ZINC000841188815 661243047 /nfs/dbraw/zinc/24/30/47/661243047.db2.gz IZGHRUUXBPSEHI-SECBINFHSA-N 1 0 377.844 2.804 20 0 GFADRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)Nc1ccc2cc(Br)ccc2c1 ZINC000841231050 661246316 /nfs/dbraw/zinc/24/63/16/661246316.db2.gz VMPQNSHPSLYIJF-BDJLRTHQSA-N 1 0 390.281 2.655 20 0 GFADRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)Nc1cccc(Cl)c1SC(F)F ZINC000841231355 661246590 /nfs/dbraw/zinc/24/65/90/661246590.db2.gz ZZCPJSYAHBWHBJ-WCBMZHEXSA-N 1 0 377.844 2.707 20 0 GFADRO COC(=O)COc1ccc(NC(=S)NCC(C)(C)C[NH+](C)C)cc1Cl ZINC000771116392 656340528 /nfs/dbraw/zinc/34/05/28/656340528.db2.gz XLTUIINCUZLSDG-UHFFFAOYSA-N 1 0 387.933 2.766 20 0 GFADRO CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@H]1Cc1ccc(Br)cc1 ZINC000771795765 656362554 /nfs/dbraw/zinc/36/25/54/656362554.db2.gz JKYWFAQKXWDVJS-DOMZBBRYSA-N 1 0 382.302 2.690 20 0 GFADRO OC[C@H]([NH2+]Cc1coc(-c2ccc(I)cc2)n1)C1CC1 ZINC000771822337 656363081 /nfs/dbraw/zinc/36/30/81/656363081.db2.gz WXKIECZTFRYQQK-AWEZNQCLSA-N 1 0 384.217 2.807 20 0 GFADRO Cc1cc(C)n2c(C[NH2+]CC(=O)Nc3ccc(Br)cc3)cnc2n1 ZINC000771944101 656367165 /nfs/dbraw/zinc/36/71/65/656367165.db2.gz XJPKTBVNVUAZIA-UHFFFAOYSA-N 1 0 388.269 2.837 20 0 GFADRO COc1ccc2nc(Cl)ccc2c1S(=O)(=O)N1CCC[C@H]1C[NH+](C)C ZINC000771958031 656368357 /nfs/dbraw/zinc/36/83/57/656368357.db2.gz BVQVLQODHFYRJV-LBPRGKRZSA-N 1 0 383.901 2.612 20 0 GFADRO C[C@H]1CCC[N@@H+]1CCNC(=O)c1cc(I)c(F)cc1F ZINC000772101814 656372414 /nfs/dbraw/zinc/37/24/14/656372414.db2.gz PISNICBCOXBFQL-VIFPVBQESA-N 1 0 394.203 2.784 20 0 GFADRO CC[NH+](CC)CCOC(=O)c1cc(S(=O)(=O)NC(C)(C)C)ccc1Cl ZINC000772182681 656374663 /nfs/dbraw/zinc/37/46/63/656374663.db2.gz SVIZROZVXKMHOF-UHFFFAOYSA-N 1 0 390.933 2.915 20 0 GFADRO CN1CC[N@H+](CCCNC(=O)C2SCCCS2)[C@@H](c2ccccc2)C1 ZINC000841380260 661256679 /nfs/dbraw/zinc/25/66/79/661256679.db2.gz XURZTCFMBVFZIE-QGZVFWFLSA-N 1 0 379.595 2.678 20 0 GFADRO C[NH+](C)C[C@@H]1CCCN1C(=O)c1cnn(-c2ccccc2)c1Br ZINC000772749154 656388347 /nfs/dbraw/zinc/38/83/47/656388347.db2.gz NEGABTSMKKGTCI-AWEZNQCLSA-N 1 0 377.286 2.801 20 0 GFADRO C[C@H](CNS(=O)(=O)c1ccc2nc(Cl)cnc2c1)C[NH+]1CCCCC1 ZINC000772921493 656393877 /nfs/dbraw/zinc/39/38/77/656393877.db2.gz QYLCLMJRUPFAMI-CYBMUJFWSA-N 1 0 382.917 2.684 20 0 GFADRO C[C@@H](CNC(=O)c1cc(=O)c2cc(Br)ccc2o1)[NH+]1CCCC1 ZINC000841391429 661258518 /nfs/dbraw/zinc/25/85/18/661258518.db2.gz QVGLBUOOMVTGLM-NSHDSACASA-N 1 0 379.254 2.770 20 0 GFADRO COc1cc(C)ccc1[C@H](C)[NH2+]CC1CCN(S(=O)(=O)C(F)F)CC1 ZINC000772974773 656396099 /nfs/dbraw/zinc/39/60/99/656396099.db2.gz DXDRMOCRNFBPOA-ZDUSSCGKSA-N 1 0 376.469 2.919 20 0 GFADRO CC(C)C([NH2+][C@@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1)C(C)C ZINC000773082563 656398999 /nfs/dbraw/zinc/39/89/99/656398999.db2.gz WNAOMRZGFLVGCL-AWEZNQCLSA-N 1 0 390.571 2.743 20 0 GFADRO C[C@H]([NH2+]CCOc1ccc(S(=O)(=O)C(F)(F)F)cc1)C1CCOCC1 ZINC000773134162 656400876 /nfs/dbraw/zinc/40/08/76/656400876.db2.gz WQHMURQBFFYKKF-LBPRGKRZSA-N 1 0 381.416 2.764 20 0 GFADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc(=O)c3cc(Br)ccc3o2)C1 ZINC000841400957 661260543 /nfs/dbraw/zinc/26/05/43/661260543.db2.gz RRTHVRQUCYZOPB-LBPRGKRZSA-N 1 0 393.281 2.969 20 0 GFADRO CC[N@H+](CCC1CCN(S(=O)(=O)c2cnc(Cl)n2C)CC1)CC(C)C ZINC000773377816 656441416 /nfs/dbraw/zinc/44/14/16/656441416.db2.gz DWJSOBGMHAGPNK-UHFFFAOYSA-N 1 0 390.981 2.842 20 0 GFADRO O=S(=O)(c1ccc2sc(Cl)nc2c1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000841476030 661269064 /nfs/dbraw/zinc/26/90/64/661269064.db2.gz DJAKYNVCPWDUKB-UHFFFAOYSA-N 1 0 394.909 2.856 20 0 GFADRO CC[C@H]1C[N@H+](C)CCCN1C(=O)C[C@](O)(c1nc(C)cs1)C(F)(F)F ZINC000774187736 656501037 /nfs/dbraw/zinc/50/10/37/656501037.db2.gz LLCJCOZAPYCMEQ-WFASDCNBSA-N 1 0 379.448 2.534 20 0 GFADRO C[C@@H](CNC(=O)C(=O)NCCc1ccc(Cl)cc1Cl)[NH+]1CCCCC1 ZINC000774725968 656549663 /nfs/dbraw/zinc/54/96/63/656549663.db2.gz SNSHJCLEIWNJES-ZDUSSCGKSA-N 1 0 386.323 2.643 20 0 GFADRO Cc1cc(Br)cc(C[NH2+]CCS(=O)(=O)NCc2ccccc2)c1 ZINC000774971977 656577091 /nfs/dbraw/zinc/57/70/91/656577091.db2.gz ATEGVLKFILHUFC-UHFFFAOYSA-N 1 0 397.338 2.967 20 0 GFADRO O=S(=O)(c1ccc(C[NH2+][C@@H]2CC[C@H]3SCCS[C@H]23)cc1)N1CCCC1 ZINC000775382224 656634583 /nfs/dbraw/zinc/63/45/83/656634583.db2.gz GNNJQVAXSLEXFX-KZNAEPCWSA-N 1 0 398.619 2.940 20 0 GFADRO Cc1cc2ncn(C[C@H](O)C[NH2+][C@@H]3CC[C@H]4SCCS[C@H]34)c2cc1C ZINC000775409051 656636968 /nfs/dbraw/zinc/63/69/68/656636968.db2.gz MGYYFUGSGGPAGF-OHDICMOHSA-N 1 0 377.579 2.983 20 0 GFADRO CC[NH+](CC)CCOCCNC(=O)Nc1cnc(Cl)c(Br)c1 ZINC000775768198 656679735 /nfs/dbraw/zinc/67/97/35/656679735.db2.gz LWPFTQVIVARLAH-UHFFFAOYSA-N 1 0 393.713 2.977 20 0 GFADRO C[C@@H]1CN(C(=O)C[NH2+][C@H](c2cc(F)cc(Br)c2)C2CC2)CCO1 ZINC000775876553 656687667 /nfs/dbraw/zinc/68/76/67/656687667.db2.gz YURMDZVURMVHQG-DIFFPNOSSA-N 1 0 385.277 2.876 20 0 GFADRO Cc1ccc(N2N=C(Br)C[C@@H]2C(=O)NCC2=CC[N@H+](C)CC2)cc1 ZINC000775961576 656696014 /nfs/dbraw/zinc/69/60/14/656696014.db2.gz QQCPSJLCRVKAQK-MRXNPFEDSA-N 1 0 391.313 2.660 20 0 GFADRO CS[C@@H]1CN(CC(=O)Nc2ccc(SC(F)F)cc2)C[C@H]1[NH+](C)C ZINC000776002027 656701710 /nfs/dbraw/zinc/70/17/10/656701710.db2.gz RDOWASJFPPYQNZ-ZIAGYGMSSA-N 1 0 375.510 2.917 20 0 GFADRO CS[C@H]1CN(CC(=O)Nc2ccc(SC(F)F)cc2)C[C@@H]1[NH+](C)C ZINC000776002024 656701852 /nfs/dbraw/zinc/70/18/52/656701852.db2.gz RDOWASJFPPYQNZ-KBPBESRZSA-N 1 0 375.510 2.917 20 0 GFADRO Cc1cnc(Br)cc1NC(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000776045345 656706306 /nfs/dbraw/zinc/70/63/06/656706306.db2.gz MOXAEFLCORXPCN-UHFFFAOYSA-N 1 0 397.317 2.729 20 0 GFADRO C[C@@H]([NH2+]C1CCC2(CC1)NC(=O)NC2=O)[C@@H](O)c1c(Cl)cccc1Cl ZINC000776219328 656721593 /nfs/dbraw/zinc/72/15/93/656721593.db2.gz FMCHHQKNIXPOKM-VWWYDTEJSA-N 1 0 386.279 2.526 20 0 GFADRO C[NH+](C)CCCNC(=S)N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000777916946 656842100 /nfs/dbraw/zinc/84/21/00/656842100.db2.gz GDOQCEREPSHCNI-CQSZACIVSA-N 1 0 389.352 2.515 20 0 GFADRO C[C@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1Cl)C1CCS(=O)(=O)CC1 ZINC000779030793 656897755 /nfs/dbraw/zinc/89/77/55/656897755.db2.gz UDWYMTOUPCLJDD-JTQLQIEISA-N 1 0 379.309 2.735 20 0 GFADRO C[C@H]([C@H](C)S(C)(=O)=O)[N@H+](C)CC[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000779479537 656929531 /nfs/dbraw/zinc/92/95/31/656929531.db2.gz XKGHQFYKJRKGPO-OWCLPIDISA-N 1 0 376.563 2.777 20 0 GFADRO C[NH+](C)CCn1ccc(NC(=O)NCCSCc2ccnc(Cl)c2)n1 ZINC000779612954 656933846 /nfs/dbraw/zinc/93/38/46/656933846.db2.gz KUNSRYHVXYTCRY-UHFFFAOYSA-N 1 0 382.921 2.548 20 0 GFADRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NOCc1ccc(F)cc1Br ZINC000780536054 657012196 /nfs/dbraw/zinc/01/21/96/657012196.db2.gz MORAFJICIYUUHX-MEBBXXQBSA-N 1 0 386.265 2.802 20 0 GFADRO COc1ccc(Br)c(S(=O)(=O)NC[C@H](C)[NH+]2CCCCC2)c1 ZINC000780717533 657025440 /nfs/dbraw/zinc/02/54/40/657025440.db2.gz HAVFNSXDUQNPPO-LBPRGKRZSA-N 1 0 391.331 2.610 20 0 GFADRO CCNS(=O)(=O)CC[NH2+]Cc1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000781629864 657067237 /nfs/dbraw/zinc/06/72/37/657067237.db2.gz LTXDBMRINPINKE-UHFFFAOYSA-N 1 0 376.400 2.994 20 0 GFADRO COc1ccc(C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)nc1Br ZINC000781939846 657091181 /nfs/dbraw/zinc/09/11/81/657091181.db2.gz SLRLHOUKPLSJOE-LBPRGKRZSA-N 1 0 384.299 2.947 20 0 GFADRO O=C(NCc1ccccc1C[N@H+]1CC[C@H](O)C1)c1cc(Cl)nc(Cl)c1 ZINC000782056604 657098369 /nfs/dbraw/zinc/09/83/69/657098369.db2.gz KYZGWSIXNWPBBG-HNNXBMFYSA-N 1 0 380.275 2.885 20 0 GFADRO COC(=O)Cc1ccccc1C[NH2+][C@@H](CO)c1ccc(Br)cc1 ZINC000782074899 657100093 /nfs/dbraw/zinc/10/00/93/657100093.db2.gz AYLFBMSUQQBUNJ-KRWDZBQOSA-N 1 0 378.266 2.988 20 0 GFADRO COc1ccc(OC)c([C@H](O)C[NH2+][C@H](CO)c2cccc(Br)c2)c1 ZINC000782081509 657100912 /nfs/dbraw/zinc/10/09/12/657100912.db2.gz ACCKEVOESFEGPP-IAGOWNOFSA-N 1 0 396.281 2.823 20 0 GFADRO CCOCOc1ccc(C[NH2+]CCN(C)S(=O)(=O)c2cccs2)cc1 ZINC000782964041 657197594 /nfs/dbraw/zinc/19/75/94/657197594.db2.gz NPBVIEMNLMBOFJ-UHFFFAOYSA-N 1 0 384.523 2.531 20 0 GFADRO COCC[N@@H+]1CCC[C@@H]1CNC(=S)Nc1cccc(OC(F)(F)F)c1 ZINC000783734772 657256178 /nfs/dbraw/zinc/25/61/78/657256178.db2.gz QPZKTUKJNHPGPL-CYBMUJFWSA-N 1 0 377.432 2.982 20 0 GFADRO CC1([C@@H]2CCC[N@H+](Cn3c4ccc(Br)cc4oc3=O)C2)OCCO1 ZINC000784036158 657282849 /nfs/dbraw/zinc/28/28/49/657282849.db2.gz IFXSXCJAJRSAED-GFCCVEGCSA-N 1 0 397.269 2.790 20 0 GFADRO COCCC[NH2+]Cc1ccc(Br)cc1SCCS(C)(=O)=O ZINC000784488851 657313601 /nfs/dbraw/zinc/31/36/01/657313601.db2.gz VHOAPKDDIKWGDV-UHFFFAOYSA-N 1 0 396.372 2.712 20 0 GFADRO Cn1nc(Br)cc1CNC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000785456075 657366086 /nfs/dbraw/zinc/36/60/86/657366086.db2.gz VYQBFULEXSKHQN-INIZCTEOSA-N 1 0 377.330 2.837 20 0 GFADRO Cn1nc(Br)cc1C[NH2+][C@@H](Cc1ccccc1)[C@H](O)C(F)(F)F ZINC000785471543 657366386 /nfs/dbraw/zinc/36/63/86/657366386.db2.gz VNDLVBZARYEWTK-JSGCOSHPSA-N 1 0 392.219 2.807 20 0 GFADRO COC(=O)c1ccc(CNC(=O)NC[C@H](C)[N@H+](C)C2CC2)c(Br)c1 ZINC000785582017 657376746 /nfs/dbraw/zinc/37/67/46/657376746.db2.gz WEBCDPRMURABOJ-NSHDSACASA-N 1 0 398.301 2.518 20 0 GFADRO CC(C)N1CCO[C@H](C(=[NH2+])NOCc2ccc(Cl)nc2C(F)(F)F)C1 ZINC000786749043 657460830 /nfs/dbraw/zinc/46/08/30/657460830.db2.gz VULYBSCKYIITSU-NSHDSACASA-N 1 0 380.798 2.861 20 0 GFADRO COc1cc(C(=O)NCc2ccc(CC[NH+](C)C)cc2)cnc1Br ZINC000788242637 657682972 /nfs/dbraw/zinc/68/29/72/657682972.db2.gz GDTHBQKBSIRWRW-UHFFFAOYSA-N 1 0 392.297 2.887 20 0 GFADRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cc(Br)n[nH]1 ZINC000788303785 657693298 /nfs/dbraw/zinc/69/32/98/657693298.db2.gz ACNJLLFRGUXMNO-AWEZNQCLSA-N 1 0 377.286 2.766 20 0 GFADRO CC(C)N(CCC[NH2+][C@H]1CCC[C@@H](S(C)(=O)=O)C1)C(=O)OC(C)(C)C ZINC000788594008 657749275 /nfs/dbraw/zinc/74/92/75/657749275.db2.gz KDXKSKOMZCLGKY-JKSUJKDBSA-N 1 0 376.563 2.967 20 0 GFADRO CC[NH+](CC)C[C@H](C)NS(=O)(=O)c1sc(C(=O)OC)c(Cl)c1C ZINC000788675333 657770365 /nfs/dbraw/zinc/77/03/65/657770365.db2.gz DVPJMZCBZSDLGG-VIFPVBQESA-N 1 0 382.935 2.505 20 0 GFADRO C[C@H](C[NH2+][C@@H](C)Cn1cc(Br)ccc1=O)NC(=O)OC(C)(C)C ZINC000788796388 657786826 /nfs/dbraw/zinc/78/68/26/657786826.db2.gz GOIUXYWRBIHJRW-NEPJUHHUSA-N 1 0 388.306 2.502 20 0 GFADRO Cc1cc(C)cc([C@H](O)C[NH2+][C@H](C)Cn2cc(Br)ccc2=O)c1 ZINC000788818554 657787546 /nfs/dbraw/zinc/78/75/46/657787546.db2.gz PWENOFGAALOEFU-RHSMWYFYSA-N 1 0 379.298 2.939 20 0 GFADRO CCN(CCC[NH+](CC)CC)S(=O)(=O)c1cc(C(=O)OC)ccc1Cl ZINC000788917801 657797634 /nfs/dbraw/zinc/79/76/34/657797634.db2.gz SMMOIPBGQYPGLY-UHFFFAOYSA-N 1 0 390.933 2.869 20 0 GFADRO Cc1ccc(S(=O)(=O)N[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)c(Cl)n1 ZINC000790049193 657920569 /nfs/dbraw/zinc/92/05/69/657920569.db2.gz TZAOEBFWIYMTAT-BBRMVZONSA-N 1 0 379.913 2.842 20 0 GFADRO COC(=O)c1c2cnn(C[N@@H+]3CCC[C@@H]3C[C@@H](C)O)c2ccc1Br ZINC000790442779 657979272 /nfs/dbraw/zinc/97/92/72/657979272.db2.gz PTXXQOPKILZDHG-VXGBXAGGSA-N 1 0 396.285 2.778 20 0 GFADRO CC(C)[NH+]1CCN(CCCOC(=O)Cc2ccccc2Br)CC1 ZINC000791855104 658195299 /nfs/dbraw/zinc/19/52/99/658195299.db2.gz FWVIDPLNCXVAAZ-UHFFFAOYSA-N 1 0 383.330 2.951 20 0 GFADRO C[C@@H]1C[N@@H+](CCCCNC(=O)c2nc(Br)ccc2F)C[C@H](C)O1 ZINC000792215758 658252198 /nfs/dbraw/zinc/25/21/98/658252198.db2.gz MILGRHRCMMXJAL-TXEJJXNPSA-N 1 0 388.281 2.602 20 0 GFADRO C[C@H]1CN(c2ccc(Cl)c(F)c2)CCN1C(=S)NC1CC[NH+](C)CC1 ZINC000793326311 658385381 /nfs/dbraw/zinc/38/53/81/658385381.db2.gz VKVMQOSAJJJTKY-ZDUSSCGKSA-N 1 0 384.952 2.958 20 0 GFADRO CSc1nc2ccc(NC(=O)N3CC[N@H+](C[C@@H](C)O)C[C@H]3C)cc2s1 ZINC000793980910 658467855 /nfs/dbraw/zinc/46/78/55/658467855.db2.gz DMKQJEAFEHYVGI-VXGBXAGGSA-N 1 0 380.539 2.937 20 0 GFADRO C[NH+](C)C1(C(=O)NCc2noc(-c3cccc(Br)c3)n2)CCC1 ZINC000793988783 658469669 /nfs/dbraw/zinc/46/96/69/658469669.db2.gz LXXJFRDDSUBFCZ-UHFFFAOYSA-N 1 0 379.258 2.600 20 0 GFADRO CS(=O)(=O)CCOCC[NH2+][C@@H](c1ccc(Br)cc1F)C1CC1 ZINC000794813480 658618838 /nfs/dbraw/zinc/61/88/38/658618838.db2.gz FFBBXGFSYANZKK-OAHLLOKOSA-N 1 0 394.306 2.690 20 0 GFADRO C[C@@H]([NH2+]Cc1cnc(NC(=O)OC(C)(C)C)s1)C1(S(C)(=O)=O)CC1 ZINC000796487873 658919542 /nfs/dbraw/zinc/91/95/42/658919542.db2.gz AFDJHXUABDUCCK-SNVBAGLBSA-N 1 0 375.516 2.545 20 0 GFADRO CC(C)([NH2+]C[C@H](O)COc1cc(Cl)ccc1Cl)C(=O)N1CCCC1 ZINC000796582000 658925112 /nfs/dbraw/zinc/92/51/12/658925112.db2.gz LLUIAJWUTPKSNE-ZDUSSCGKSA-N 1 0 375.296 2.724 20 0 GFADRO CNC(=O)[C@@]1(C)CC[N@H+](Cn2nc(C)nc2-c2ccc(Cl)c(Cl)c2)C1 ZINC000797416257 659019413 /nfs/dbraw/zinc/01/94/13/659019413.db2.gz KKWBCLWRCHXSKQ-KRWDZBQOSA-N 1 0 382.295 2.976 20 0 GFADRO COC(=O)c1sc(S(=O)(=O)N(C)CCC[NH+]2CCCC2)c(C)c1Cl ZINC000798464545 659109586 /nfs/dbraw/zinc/10/95/86/659109586.db2.gz QSZMGLVVGXMAHG-UHFFFAOYSA-N 1 0 394.946 2.603 20 0 GFADRO COC(=O)c1cc(S(=O)(=O)NC2(C[NH+](C)C)CCC2)c(Cl)cc1Cl ZINC000798470801 659110114 /nfs/dbraw/zinc/11/01/14/659110114.db2.gz NBIKRYATZILDHJ-UHFFFAOYSA-N 1 0 395.308 2.543 20 0 GFADRO C[C@H]1CCC[N@H+](CCNC(=O)NC[C@H](O)c2cccc(Br)c2)C1 ZINC000799882113 659238241 /nfs/dbraw/zinc/23/82/41/659238241.db2.gz DNVFSSNIOWKLSM-BBRMVZONSA-N 1 0 384.318 2.514 20 0 GFADRO C[C@H](CNC(=O)NC[C@H](O)c1cccc(Br)c1)[NH+]1CCC(C)CC1 ZINC000799940748 659247305 /nfs/dbraw/zinc/24/73/05/659247305.db2.gz BKHOCYHCCDFNRD-PBHICJAKSA-N 1 0 398.345 2.902 20 0 GFADRO Cc1cc(C[NH2+][C@H]2CCC[C@H]2CNS(C)(=O)=O)cc(C)c1OC(F)F ZINC000800309683 659300289 /nfs/dbraw/zinc/30/02/89/659300289.db2.gz MKVNOLOLSVKGHK-GJZGRUSLSA-N 1 0 376.469 2.712 20 0 GFADRO O=C(NCCC[NH+]1CCCCC1)NC[C@H](O)c1cccc(Br)c1 ZINC000800698822 659327452 /nfs/dbraw/zinc/32/74/52/659327452.db2.gz LMXOYTVPIQOSRI-INIZCTEOSA-N 1 0 384.318 2.658 20 0 GFADRO Nc1nccc([C@H]2CCC[N@H+](C[C@@H](O)c3ccc(Br)cc3)C2)n1 ZINC000801551781 659403794 /nfs/dbraw/zinc/40/37/94/659403794.db2.gz SROPZDBNCRTCKF-XJKSGUPXSA-N 1 0 377.286 2.734 20 0 GFADRO C[NH+](C)C1(CNC(=O)NC[C@@H](O)c2cccc(Br)c2)CCCC1 ZINC000801754879 659423733 /nfs/dbraw/zinc/42/37/33/659423733.db2.gz GGLXTJNKLSXFOU-OAHLLOKOSA-N 1 0 384.318 2.656 20 0 GFADRO CC[NH+](CC)CCOC(=O)c1cccc(NC(=O)[C@H]2CSCCS2)c1 ZINC000803660776 659595837 /nfs/dbraw/zinc/59/58/37/659595837.db2.gz CSDQWLBOERECRE-MRXNPFEDSA-N 1 0 382.551 2.972 20 0 GFADRO COc1ccc([C@@H](C[NH+](C)C)NC(=O)c2scnc2Br)cc1 ZINC000803807041 659606331 /nfs/dbraw/zinc/60/63/31/659606331.db2.gz BEHMDVMFILKGEI-GFCCVEGCSA-N 1 0 384.299 2.947 20 0 GFADRO C[N@@H+]1CCCC[C@H]1CCC(=O)O[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000803858821 659611293 /nfs/dbraw/zinc/61/12/93/659611293.db2.gz JIRCVMILUPYICD-GOEBONIOSA-N 1 0 383.286 2.783 20 0 GFADRO COc1cc(/C=C/C(=O)N[C@H]2CCc3cncn3C2)cc(Br)c1O ZINC000804333929 659635287 /nfs/dbraw/zinc/63/52/87/659635287.db2.gz SZMVGCYMWVJRHK-PWFBRDGFSA-N 1 0 392.253 2.504 20 0 GFADRO COc1cc(/C=C/C(=O)N[C@@H]2CCc3cncn3C2)cc(Br)c1O ZINC000804333931 659635539 /nfs/dbraw/zinc/63/55/39/659635539.db2.gz SZMVGCYMWVJRHK-ROLFPQFPSA-N 1 0 392.253 2.504 20 0 GFADRO Cc1nc(Cl)ccc1S(=O)(=O)N(C)c1ccc(OCC[NH+](C)C)cc1 ZINC000804998088 659710414 /nfs/dbraw/zinc/71/04/14/659710414.db2.gz YOECHYSNRDVDJH-UHFFFAOYSA-N 1 0 383.901 2.809 20 0 GFADRO C[NH+](C)CCOc1ccc(/C=C/C(=O)NCC(F)(F)Br)cc1 ZINC000805242929 659758523 /nfs/dbraw/zinc/75/85/23/659758523.db2.gz GSWGBTDWFJAATR-VMPITWQZSA-N 1 0 377.229 2.744 20 0 GFADRO CC[NH+]1CCN(c2ccc(C(=O)NCC(F)(F)Br)cc2)CC1 ZINC000805246062 659759206 /nfs/dbraw/zinc/75/92/06/659759206.db2.gz LWTXMVDOIWGQMV-UHFFFAOYSA-N 1 0 376.245 2.546 20 0 GFADRO CCOC(=O)C(F)(F)[C@H]1CCC[C@H]([NH2+][C@@H](CCSC)C(=O)N(C)C)C1 ZINC000806663029 659839284 /nfs/dbraw/zinc/83/92/84/659839284.db2.gz SBEHRKIIZASXQV-IHRRRGAJSA-N 1 0 380.501 2.543 20 0 GFADRO CSCC[C@H](C)NC(=O)C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000807052366 659847297 /nfs/dbraw/zinc/84/72/97/659847297.db2.gz GKSSATYCDQESTN-OFQRWUPVSA-N 1 0 383.583 2.505 20 0 GFADRO CS[C@@H]1CN(C(=O)c2nc(Br)sc2C2CC2)C[C@@H]1[NH+](C)C ZINC000807166944 659848812 /nfs/dbraw/zinc/84/88/12/659848812.db2.gz PBXMVBOPDBKDGQ-VHSXEESVSA-N 1 0 390.372 2.901 20 0 GFADRO Cc1n[nH]c(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)c1Br ZINC000807739151 659863339 /nfs/dbraw/zinc/86/33/39/659863339.db2.gz JWJVCYKYXFKEQI-OCCSQVGLSA-N 1 0 377.286 2.873 20 0 GFADRO O[C@H]1c2ccccc2OC[C@H]1[NH2+]Cc1cc(Br)c2c(c1)OCCO2 ZINC000808453529 659894839 /nfs/dbraw/zinc/89/48/39/659894839.db2.gz HNOBVBAKAHNIRE-PBHICJAKSA-N 1 0 392.249 2.805 20 0 GFADRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]C[C@@H](O)c3ccc(F)c(Br)c3)[C@@H]2C1 ZINC000808783862 659906450 /nfs/dbraw/zinc/90/64/50/659906450.db2.gz KMUXMPBZKWEOMQ-IHETXDGRSA-N 1 0 399.304 2.858 20 0 GFADRO COC(=O)CN1CCC([NH2+]CC[C@H](O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000809757751 659938377 /nfs/dbraw/zinc/93/83/77/659938377.db2.gz WEXXQZUZSDHGBL-INIZCTEOSA-N 1 0 375.296 2.644 20 0 GFADRO CC(C)S(=O)(=O)CC[NH2+]Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000809790042 659939315 /nfs/dbraw/zinc/93/93/15/659939315.db2.gz UQAMXYBIJMJFSP-UHFFFAOYSA-N 1 0 375.416 2.804 20 0 GFADRO CCC[N@H+](CC)C[C@@H](C)NS(=O)(=O)c1cc(Br)cnc1Cl ZINC000810118392 659963129 /nfs/dbraw/zinc/96/31/29/659963129.db2.gz SVOYXKQYUQBBIV-SNVBAGLBSA-N 1 0 398.754 2.896 20 0 GFADRO CC(C)[N@@H+](C)C[C@H](C)NC(=O)C(=O)Nc1cccc(C2SCCS2)c1 ZINC000810441709 659973426 /nfs/dbraw/zinc/97/34/26/659973426.db2.gz UXSYUFINCAAJIA-ZDUSSCGKSA-N 1 0 381.567 2.949 20 0 GFADRO Nc1nc(N2CCC[C@@H](OC(=O)c3ccc(Br)cc3F)C2)cc[nH+]1 ZINC000810766640 659984970 /nfs/dbraw/zinc/98/49/70/659984970.db2.gz MKEFTNQUGFHCPG-LLVKDONJSA-N 1 0 395.232 2.786 20 0 GFADRO COC(=O)c1ccc(Cl)c(C(=O)N2C[C@@H](SC)[C@@H]([NH+]3CCCC3)C2)c1 ZINC000811034132 659995380 /nfs/dbraw/zinc/99/53/80/659995380.db2.gz OPDXIPTVOUKBJI-JKSUJKDBSA-N 1 0 382.913 2.778 20 0 GFADRO O=S(=O)(N1CCC([NH2+]CCc2ccc(F)cc2Cl)CC1)C(F)(F)F ZINC000811484963 660010013 /nfs/dbraw/zinc/01/00/13/660010013.db2.gz QPYJWYVFWFJWJC-UHFFFAOYSA-N 1 0 388.814 2.925 20 0 GFADRO CCC[N@H+](CC)C[C@H](C)NC(=O)c1cn(-c2ccccc2Br)nn1 ZINC000812393408 660026151 /nfs/dbraw/zinc/02/61/51/660026151.db2.gz BHQOARWQYFHASI-ZDUSSCGKSA-N 1 0 394.317 2.880 20 0 GFADRO C[C@H]1CN(CCNC(=O)NC2(Cc3ccccc3Br)CC2)CCO1 ZINC000813618947 660058193 /nfs/dbraw/zinc/05/81/93/660058193.db2.gz RKKYEHPXTIZJTC-AWEZNQCLSA-N 1 0 396.329 2.544 20 0 GFADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)C1(Cc2ccccc2Br)CC1 ZINC000814108723 660073188 /nfs/dbraw/zinc/07/31/88/660073188.db2.gz HACHJWXCCAFEAO-CVEARBPZSA-N 1 0 393.325 2.751 20 0 GFADRO C[N@H+](CCOc1ccc(S(N)(=O)=O)cc1)Cc1cc(Cl)nc(Cl)c1 ZINC000814648402 660093008 /nfs/dbraw/zinc/09/30/08/660093008.db2.gz AFOOHTNEYGVAKU-UHFFFAOYSA-N 1 0 390.292 2.547 20 0 GFADRO CS[C@@H]1CN(S(=O)(=O)c2ccc3nc(Cl)c(C)cc3c2)C[C@@H]1[NH+](C)C ZINC000815028551 660104001 /nfs/dbraw/zinc/10/40/01/660104001.db2.gz BMCBHKDEQFDBCF-JKSUJKDBSA-N 1 0 399.969 2.863 20 0 GFADRO CC(=O)NC1CC[NH+](C[C@@](C)(O)c2ccc(Br)cc2Cl)CC1 ZINC000815031517 660104315 /nfs/dbraw/zinc/10/43/15/660104315.db2.gz VXWCSTBIUYMPCH-MRXNPFEDSA-N 1 0 389.721 2.911 20 0 GFADRO CC(=O)NC1CC[NH+](C[C@](C)(O)c2ccc(Br)cc2Cl)CC1 ZINC000815031516 660104391 /nfs/dbraw/zinc/10/43/91/660104391.db2.gz VXWCSTBIUYMPCH-INIZCTEOSA-N 1 0 389.721 2.911 20 0 GFADRO C[C@](O)(C[N@@H+]1CC[C@@H](n2cncn2)C1)c1ccc(Br)cc1Cl ZINC000815094983 660111531 /nfs/dbraw/zinc/11/15/31/660111531.db2.gz KHFAJVKBEKVCHI-DOMZBBRYSA-N 1 0 385.693 2.849 20 0 GFADRO COCC1(CC[NH2+]Cc2c(C)nn([C@@H]3CCS(=O)(=O)C3)c2Cl)CCC1 ZINC000815148504 660114374 /nfs/dbraw/zinc/11/43/74/660114374.db2.gz YAJTUFYKLBNBSQ-CQSZACIVSA-N 1 0 389.949 2.501 20 0 GFADRO C[N@@H+]1C[C@H]2CCN(C(=O)C(=O)Nc3cccc(Cl)c3SC(F)F)[C@@H]2C1 ZINC000815705212 660129037 /nfs/dbraw/zinc/12/90/37/660129037.db2.gz CHYNZFUCQIIWSZ-BXKDBHETSA-N 1 0 389.855 2.756 20 0 GFADRO CCc1sc(C(=O)NCC[NH+]2CCC(OC)CC2)cc1Br ZINC000815767421 660130490 /nfs/dbraw/zinc/13/04/90/660130490.db2.gz NUXIQUCMFXNBJX-UHFFFAOYSA-N 1 0 375.332 2.914 20 0 GFADRO C[NH+](C)CCN(Cc1ccco1)C(=O)c1cn2c(Br)cnc2s1 ZINC000815780983 660130891 /nfs/dbraw/zinc/13/08/91/660130891.db2.gz PFUVAGQNGDPBEY-UHFFFAOYSA-N 1 0 397.298 2.955 20 0 GFADRO O=C(CNCc1ccc(CSC(F)F)o1)NCC[NH+]1CCCCCC1 ZINC000816621083 660163090 /nfs/dbraw/zinc/16/30/90/660163090.db2.gz YKVUUFWGBTVUEO-UHFFFAOYSA-N 1 0 375.485 2.817 20 0 GFADRO CN(CCC[N@H+](C)Cc1ccncc1)C(=O)c1nc(Br)ccc1F ZINC000816641514 660163723 /nfs/dbraw/zinc/16/37/23/660163723.db2.gz UPZWPDDGMCOUFY-UHFFFAOYSA-N 1 0 395.276 2.972 20 0 GFADRO O=C(NC1CC[NH+](Cc2ccncc2)CC1)c1nc(F)ccc1Br ZINC000816890758 660171505 /nfs/dbraw/zinc/17/15/05/660171505.db2.gz WFDPWARXJAAVTL-UHFFFAOYSA-N 1 0 393.260 2.773 20 0 GFADRO O=C(NC[C@H]1CSCCS1)NC[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1 ZINC000841854565 661316623 /nfs/dbraw/zinc/31/66/23/661316623.db2.gz RNTSPDCNWOLRRP-PVAVHDDUSA-N 1 0 383.558 2.667 20 0 GFADRO CCC[NH2+]CCNC(=O)N1CCC[C@@H]([C@H](O)c2ccc(Br)cc2)C1 ZINC000841960842 661318382 /nfs/dbraw/zinc/31/83/82/661318382.db2.gz HFRMSNXDKJLPPO-NVXWUHKLSA-N 1 0 398.345 2.904 20 0 GFADRO C[NH2+]C[C@H](C)c1noc([C@@H](C)N2C(=O)c3ccc(Br)cc3C2=O)n1 ZINC000842580690 661344423 /nfs/dbraw/zinc/34/44/23/661344423.db2.gz PTCAFWWFKJFIHP-DTWKUNHWSA-N 1 0 393.241 2.512 20 0 GFADRO C[NH2+][C@@H](C)Cc1noc(-c2nc(Br)ccc2Br)n1 ZINC000842630783 661346436 /nfs/dbraw/zinc/34/64/36/661346436.db2.gz HFHUCQFIQCQQBC-LURJTMIESA-N 1 0 376.052 2.807 20 0 GFADRO CN(Cc1nc([C@@H]2CCC[NH2+]C2)no1)C(=O)c1ccc(Br)s1 ZINC000842670870 661348428 /nfs/dbraw/zinc/34/84/28/661348428.db2.gz UDNRKGMVBGGONM-SECBINFHSA-N 1 0 385.287 2.633 20 0 GFADRO COc1ccc2nc(Cl)ccc2c1S(=O)(=O)N1CCCC[C@H]1[C@H](C)[NH3+] ZINC000842689535 661349393 /nfs/dbraw/zinc/34/93/93/661349393.db2.gz IPFILLTUQCWDMT-FZMZJTMJSA-N 1 0 383.901 2.787 20 0 GFADRO COc1ccc2nc(Cl)ccc2c1S(=O)(=O)N1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000842689536 661349422 /nfs/dbraw/zinc/34/94/22/661349422.db2.gz IPFILLTUQCWDMT-RISCZKNCSA-N 1 0 383.901 2.787 20 0 GFADRO Cc1cc(Br)c(S(=O)(=O)NCc2ccc(CC[NH3+])cc2)s1 ZINC000842701687 661350018 /nfs/dbraw/zinc/35/00/18/661350018.db2.gz SZQVTTIATXLEER-UHFFFAOYSA-N 1 0 389.340 2.799 20 0 GFADRO COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N[C@](C)(C[NH3+])CC(C)C ZINC000842722417 661351016 /nfs/dbraw/zinc/35/10/16/661351016.db2.gz GLCVKKYEJPOGLV-DYVFJYSZSA-N 1 0 392.949 2.796 20 0 GFADRO COc1ccc2nc(Cl)ccc2c1S(=O)(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000842725400 661351284 /nfs/dbraw/zinc/35/12/84/661351284.db2.gz WLTOWXSMQNPMEH-AAEUAGOBSA-N 1 0 383.901 2.693 20 0 GFADRO COc1ccc2nc(Cl)ccc2c1S(=O)(=O)N1CCCC[C@@H]1CC[NH3+] ZINC000842860676 661357463 /nfs/dbraw/zinc/35/74/63/661357463.db2.gz VPLPUNJWMNOJLB-GFCCVEGCSA-N 1 0 383.901 2.789 20 0 GFADRO O=S(=O)(/C=C\c1cccc(Br)c1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000842861232 661357750 /nfs/dbraw/zinc/35/77/50/661357750.db2.gz UWHWVONVWORIPO-MGDKSHQASA-N 1 0 385.327 2.825 20 0 GFADRO O=S(=O)(/C=C\c1ccc(Br)cc1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000842873689 661358338 /nfs/dbraw/zinc/35/83/38/661358338.db2.gz ZNLXOMCYSWYLFY-LEQAYGSTSA-N 1 0 385.327 2.681 20 0 GFADRO [NH3+]CCCCCCNC(=O)Nc1ccnn1-c1ccc(Br)cn1 ZINC000843043007 661365248 /nfs/dbraw/zinc/36/52/48/661365248.db2.gz YTPDWKUOMMHHLW-UHFFFAOYSA-N 1 0 381.278 2.670 20 0 GFADRO Cc1cccc(OC[C@@H](O)C[NH2+]C[C@H](O)c2ccc(F)c(Br)c2)c1 ZINC000843070415 661366235 /nfs/dbraw/zinc/36/62/35/661366235.db2.gz UHDQRWZEYOJHQO-KSSFIOAISA-N 1 0 398.272 2.960 20 0 GFADRO COc1cc(OC)cc([C@H](O)C[NH2+]C[C@@H](O)c2cccc(Br)c2)c1 ZINC000843071082 661366431 /nfs/dbraw/zinc/36/64/31/661366431.db2.gz YLKZXQNVNHAIAU-QZTJIDSGSA-N 1 0 396.281 2.823 20 0 GFADRO CN(C[C@H](O)C[NH2+]C[C@@H](O)c1cc(Cl)cc(Cl)c1)C(=O)OC(C)(C)C ZINC000843079447 661366718 /nfs/dbraw/zinc/36/67/18/661366718.db2.gz BTUAHWUOQFACPH-HUUCEWRRSA-N 1 0 393.311 2.844 20 0 GFADRO CC(C)(C)OC(=O)NC[C@@](C)(O)C[NH2+]C[C@@H](O)c1c(Cl)cccc1Cl ZINC000843082626 661366911 /nfs/dbraw/zinc/36/69/11/661366911.db2.gz DAYWYZZKAPNPGH-DYVFJYSZSA-N 1 0 393.311 2.892 20 0 GFADRO CN(Cc1ccccc1)C[C@H](O)C[NH2+]C[C@H](O)c1ccccc1Br ZINC000843092434 661367362 /nfs/dbraw/zinc/36/73/62/661367362.db2.gz CZMNFSNKUAYHOX-APWZRJJASA-N 1 0 393.325 2.565 20 0 GFADRO Cn1cc([C@@H]([NH2+]C[C@@H](O)c2ccccc2Br)C2(CO)CCC2)cn1 ZINC000843119835 661370079 /nfs/dbraw/zinc/37/00/79/661370079.db2.gz YBGQKQJSHJLKBI-IAGOWNOFSA-N 1 0 394.313 2.710 20 0 GFADRO Ic1cccc(Cc2nc(CC3CC[NH2+]CC3)no2)c1 ZINC000843135169 661370499 /nfs/dbraw/zinc/37/04/99/661370499.db2.gz BIHNSKJXNYUEQA-UHFFFAOYSA-N 1 0 383.233 2.807 20 0 GFADRO C[C@@H](NC(=O)c1ccc(Br)s1)c1nc(C2CC[NH2+]CC2)no1 ZINC000843138237 661370507 /nfs/dbraw/zinc/37/05/07/661370507.db2.gz QIBXTFMFHMWABJ-MRVPVSSYSA-N 1 0 385.287 2.852 20 0 GFADRO COc1cc(Br)c(Cc2noc(CC[NH2+]C(C)C)n2)cc1OC ZINC000843198216 661371826 /nfs/dbraw/zinc/37/18/26/661371826.db2.gz VDXNMXJGVAVGIM-UHFFFAOYSA-N 1 0 384.274 2.981 20 0 GFADRO CC(C)[NH2+]CCc1nc(-c2n[nH]c(-c3cccc(Br)c3)n2)no1 ZINC000843227481 661374273 /nfs/dbraw/zinc/37/42/73/661374273.db2.gz BBKPHHJOQBNMDF-UHFFFAOYSA-N 1 0 377.246 2.825 20 0 GFADRO Cc1n[nH]c(C(=O)N2CC[NH2+]C[C@@H]2c2cccc(Cl)c2)c1Br ZINC000843473268 661382574 /nfs/dbraw/zinc/38/25/74/661382574.db2.gz SCIMFEKJNITHCE-GFCCVEGCSA-N 1 0 383.677 2.921 20 0 GFADRO [NH3+]C[C@H]1CC[C@H](CNC(=O)/C=C\c2ccc(I)o2)CC1 ZINC000843481393 661382928 /nfs/dbraw/zinc/38/29/28/661382928.db2.gz WICGOSHIPGEFJA-ZTHLOLMHSA-N 1 0 388.249 2.779 20 0 GFADRO O=C(/C=C\c1ccc(I)o1)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000843508572 661383737 /nfs/dbraw/zinc/38/37/37/661383737.db2.gz XRLDQKHOKHVRKT-USEMIUTHSA-N 1 0 386.233 2.688 20 0 GFADRO C[N@@H+]1C[C@@H](CNC(=O)Cc2cccnc2Br)[C@H](c2ccccc2)C1 ZINC000844052284 661401972 /nfs/dbraw/zinc/40/19/72/661401972.db2.gz VXKYGNDBDWPQJL-SJORKVTESA-N 1 0 388.309 2.848 20 0 GFADRO CCC(CC)(C[NH3+])NC(=O)Cc1csc(NC(=O)Cc2cccs2)n1 ZINC000844164110 661409059 /nfs/dbraw/zinc/40/90/59/661409059.db2.gz DKRWOHPXKJAUGL-UHFFFAOYSA-N 1 0 380.539 2.562 20 0 GFADRO O=C1O[C@@H](C[NH2+][C@@H](CO)c2ccc(Cl)cc2C(F)(F)F)CN1C1CC1 ZINC000844324280 661415092 /nfs/dbraw/zinc/41/50/92/661415092.db2.gz GVOHXWYQHWQFJK-FZMZJTMJSA-N 1 0 378.778 2.965 20 0 GFADRO Cc1nn(CN2CCO[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]32)c(=S)s1 ZINC000844730714 661437599 /nfs/dbraw/zinc/43/75/99/661437599.db2.gz QRKOZVCLVVTDFV-IRXDYDNUSA-N 1 0 376.551 2.915 20 0 GFADRO C[NH+](C)CC[C@@H](N)c1nc(Cc2c(F)ccc(Br)c2F)no1 ZINC000844920555 661449231 /nfs/dbraw/zinc/44/92/31/661449231.db2.gz SPSOETKTPJUZLU-LLVKDONJSA-N 1 0 375.217 2.653 20 0 GFADRO O=C(NCc1noc([C@@H]2CC[C@H](C3CC3)[NH2+]2)n1)c1ccc(Br)cc1 ZINC000844920581 661449589 /nfs/dbraw/zinc/44/95/89/661449589.db2.gz TZFISTCKBYUJGB-KGLIPLIRSA-N 1 0 391.269 2.965 20 0 GFADRO Cc1nn(C)c(Br)c1C(=O)N[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000844962560 661450690 /nfs/dbraw/zinc/45/06/90/661450690.db2.gz CFLVEXYZHAAPHZ-GOSISDBHSA-N 1 0 391.313 2.885 20 0 GFADRO CN(C(=O)c1snc(Cl)c1Cl)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000845494017 661474507 /nfs/dbraw/zinc/47/45/07/661474507.db2.gz LQBQBKUMIRRNOK-NSHDSACASA-N 1 0 377.341 2.690 20 0 GFADRO C[C@@H]1[C@H](COC(=O)[C@H]2CCN(c3ccccc3Br)C2=O)CC[N@@H+]1C ZINC000845815375 661498617 /nfs/dbraw/zinc/49/86/17/661498617.db2.gz YYFUBZVJHHAHNM-RDBSUJKOSA-N 1 0 395.297 2.685 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(S(=O)(=O)/C=C\c3cccc(Cl)c3)C2)C1 ZINC000846230110 661539203 /nfs/dbraw/zinc/53/92/03/661539203.db2.gz HJUTWCMHZQLCAA-FKKKEJFISA-N 1 0 384.929 2.859 20 0 GFADRO COCC[NH2+]C1CCN(C(=O)Nc2cnc(Cl)c(Br)c2)CC1 ZINC000846319199 661544825 /nfs/dbraw/zinc/54/48/25/661544825.db2.gz YNROELGQFZMBPU-UHFFFAOYSA-N 1 0 391.697 2.730 20 0 GFADRO [NH3+]CC12CCC(CC1)CN2C(=O)/C=C/c1ccc(I)o1 ZINC000846679657 661561612 /nfs/dbraw/zinc/56/16/12/661561612.db2.gz AQNSJRQLDJPTMC-DUXPYHPUSA-N 1 0 386.233 2.627 20 0 GFADRO Cc1cc(Br)ccc1CC(=O)NC[C@H](C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000847177683 661579663 /nfs/dbraw/zinc/57/96/63/661579663.db2.gz JXPPHSQRAJNFJH-SOUVJXGZSA-N 1 0 383.330 2.914 20 0 GFADRO CC[N@@H+]1CC[C@H](CNC(=O)Nc2cccc(Cl)c2S(=O)(=O)C(C)C)C1 ZINC000847184255 661580354 /nfs/dbraw/zinc/58/03/54/661580354.db2.gz TWBBBAFRXIGZJM-CYBMUJFWSA-N 1 0 387.933 2.985 20 0 GFADRO O=C(NC[C@H](O)c1ccccc1Br)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000847446217 661592680 /nfs/dbraw/zinc/59/26/80/661592680.db2.gz DXKOOBXIJVBGEE-IKGGRYGDSA-N 1 0 396.329 2.799 20 0 GFADRO C[C@H]1CN(C(=O)c2nc(Cl)sc2Cl)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000847630694 661602799 /nfs/dbraw/zinc/60/27/99/661602799.db2.gz QPPPXGUPKXSGMB-WDEREUQCSA-N 1 0 377.341 2.548 20 0 GFADRO CS[C@H]1CN(C(=O)c2cnc(F)c(Br)c2)C[C@@H]1[NH+]1CCCC1 ZINC000847724988 661607719 /nfs/dbraw/zinc/60/77/19/661607719.db2.gz IDAYQDWORUJCOK-STQMWFEESA-N 1 0 388.306 2.635 20 0 GFADRO CCCN(CCC[NH+](C)C)C(=O)c1ccccc1S(=O)(=O)C(F)(F)F ZINC000847873344 661614675 /nfs/dbraw/zinc/61/46/75/661614675.db2.gz QQNIFQFXMQLHED-UHFFFAOYSA-N 1 0 380.432 2.784 20 0 GFADRO COCC[NH+]1CCC(OC(=O)Cc2c(F)ccc(Br)c2F)CC1 ZINC000847886171 661615029 /nfs/dbraw/zinc/61/50/29/661615029.db2.gz ZGUYMNZKMWOKDT-UHFFFAOYSA-N 1 0 392.240 2.924 20 0 GFADRO C[N@H+](Cc1ccccc1)C1CN(C(=O)c2cnc(F)c(Br)c2)C1 ZINC000848056536 661623113 /nfs/dbraw/zinc/62/31/13/661623113.db2.gz CXBSMKNIMRIRIR-UHFFFAOYSA-N 1 0 378.245 2.940 20 0 GFADRO Cc1ccc(-n2nc(Br)cc2C(=O)N[C@@H](C[NH3+])C(F)(F)F)cc1 ZINC000848437842 661647917 /nfs/dbraw/zinc/64/79/17/661647917.db2.gz DNTOUCRJWWCPMT-NSHDSACASA-N 1 0 391.191 2.563 20 0 GFADRO Cc1cc(SC(C)(C)C)ccc1NC(=O)C(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000848602470 661667415 /nfs/dbraw/zinc/66/74/15/661667415.db2.gz DDHUMDHMJXOQOK-GFCCVEGCSA-N 1 0 377.432 2.830 20 0 GFADRO [NH3+]CC12CCC(CC1)CN2S(=O)(=O)/C=C\c1ccccc1Br ZINC000848601897 661667721 /nfs/dbraw/zinc/66/77/21/661667721.db2.gz KRSAIMRIWFLRBB-YFHOEESVSA-N 1 0 385.327 2.953 20 0 GFADRO COC[C@H](C)NC(=[NH2+])NCc1ccc(Cl)cc1I ZINC000849109091 661692375 /nfs/dbraw/zinc/69/23/75/661692375.db2.gz RRWZEALQITXHPU-QMMMGPOBSA-N 1 0 381.645 2.593 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@@H](CNS(=O)(=O)c2cc3c(cc2Cl)CCC3=O)C1 ZINC000849411849 661718475 /nfs/dbraw/zinc/71/84/75/661718475.db2.gz VZNLFFILPRZCDX-LBPRGKRZSA-N 1 0 384.929 2.868 20 0 GFADRO C[N@H+](CCc1ccccc1)[C@H]1CCN(S(=O)(=O)c2ccc(Cl)nc2)C1 ZINC000849454287 661728210 /nfs/dbraw/zinc/72/82/10/661728210.db2.gz ICDVWPHOFVYQGI-INIZCTEOSA-N 1 0 379.913 2.673 20 0 GFADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@H]2C(=O)Oc2cccc(Br)c2)cn1 ZINC000849485998 661733371 /nfs/dbraw/zinc/73/33/71/661733371.db2.gz DJQILMKAYGEBKS-CVEARBPZSA-N 1 0 378.270 2.824 20 0 GFADRO Cn1cc([C@H]2C[N@H+](C)CC[C@H]2C(=O)Nc2cc(Cl)c(N)c(Cl)c2)cn1 ZINC000849486424 661733388 /nfs/dbraw/zinc/73/33/88/661733388.db2.gz KNHSWDFDACFXEK-CHWSQXEVSA-N 1 0 382.295 2.983 20 0 GFADRO Cn1cc([C@H]2C[N@H+](C)CC[C@H]2C(=O)NCc2csc(Br)c2)cn1 ZINC000849501908 661733606 /nfs/dbraw/zinc/73/36/06/661733606.db2.gz YAWXBDCFEAWFGY-ZIAGYGMSSA-N 1 0 397.342 2.596 20 0 GFADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@H]2C(=O)Nc2ccc(F)c(Br)c2)cn1 ZINC000849552875 661734063 /nfs/dbraw/zinc/73/40/63/661734063.db2.gz LMKWZVFAPRYHCJ-KGLIPLIRSA-N 1 0 395.276 2.996 20 0 GFADRO COc1cncc(C[NH2+]CCCNC(=O)c2ccc(Br)cc2)c1 ZINC000850113274 661765590 /nfs/dbraw/zinc/76/55/90/661765590.db2.gz AERHWFSQWTYATN-UHFFFAOYSA-N 1 0 378.270 2.762 20 0 GFADRO Cc1ccc2cc(C[NH2+]C3CCN(S(=O)(=O)C(F)(F)F)CC3)[nH]c2c1 ZINC000850182911 661766935 /nfs/dbraw/zinc/76/69/35/661766935.db2.gz ADLQQCIHVQVDFH-UHFFFAOYSA-N 1 0 375.416 2.880 20 0 GFADRO COc1cncc(C[NH2+]Cc2ccc(Br)cc2N2CCOCC2)c1 ZINC000850199072 661767156 /nfs/dbraw/zinc/76/71/56/661767156.db2.gz JKMFKWYIQGPEAL-UHFFFAOYSA-N 1 0 392.297 2.979 20 0 GFADRO Cc1nn(C)c(C[NH2+]CC23CC(C2)CN3C(=O)OC(C)(C)C)c1Br ZINC000850405321 661775072 /nfs/dbraw/zinc/77/50/72/661775072.db2.gz WUGMLLGRWKOEAB-UHFFFAOYSA-N 1 0 399.333 2.980 20 0 GFADRO CSC[C@@H](CCO)[NH2+][C@H]1CCN(C(=O)C(F)(F)F)Cc2ccccc21 ZINC000850438187 661776122 /nfs/dbraw/zinc/77/61/22/661776122.db2.gz WLHPBYDFSCZOBE-HIFRSBDPSA-N 1 0 376.444 2.726 20 0 GFADRO C[C@H](CC[NH2+][C@@H]1CCN(C(=O)C(F)(F)F)Cc2ccccc21)[S@@](C)=O ZINC000850445532 661776408 /nfs/dbraw/zinc/77/64/08/661776408.db2.gz FVIHWXQUBXRJKL-GDDWWATRSA-N 1 0 376.444 2.769 20 0 GFADRO C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]CC[S@](=O)CC(F)(F)F ZINC000850490688 661778235 /nfs/dbraw/zinc/77/82/35/661778235.db2.gz FIPAAVPDOGCGTE-VDBVYFBLSA-N 1 0 398.878 2.978 20 0 GFADRO O=S(=O)(CC[NH2+][C@@H](Cc1ccccc1Cl)[C@@H]1CCCO1)CC(F)(F)F ZINC000850519241 661780544 /nfs/dbraw/zinc/78/05/44/661780544.db2.gz YLNIFMSPUHAUMK-GJZGRUSLSA-N 1 0 399.862 2.997 20 0 GFADRO O=S(=O)(CC[NH2+][C@H](Cc1ccccc1Cl)[C@@H]1CCCO1)CC(F)(F)F ZINC000850519240 661780606 /nfs/dbraw/zinc/78/06/06/661780606.db2.gz YLNIFMSPUHAUMK-CABCVRRESA-N 1 0 399.862 2.997 20 0 GFADRO COc1cc([C@H](C)[NH2+][C@H]2C[C@H](O)C23CCC3)ccc1S(=O)(=O)C(F)F ZINC000850548060 661781432 /nfs/dbraw/zinc/78/14/32/661781432.db2.gz XYAHVQJGSXQIDS-LKTVYLICSA-N 1 0 375.437 2.646 20 0 GFADRO CCCOc1ccc(Br)cc1S(=O)(=O)N1CCC[C@H](C[NH3+])C1 ZINC000850582027 661782065 /nfs/dbraw/zinc/78/20/65/661782065.db2.gz KVTIYRCQBIOTDF-GFCCVEGCSA-N 1 0 391.331 2.597 20 0 GFADRO CCCOc1ccc(S(=O)(=O)N[C@@H]2C[NH2+]CCC2(F)F)cc1C(C)C ZINC000850587535 661782073 /nfs/dbraw/zinc/78/20/73/661782073.db2.gz CJENYRVTUAUMOC-MRXNPFEDSA-N 1 0 376.469 2.874 20 0 GFADRO O=S(=O)(c1c(Cl)ccnc1Cl)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000850589223 661782359 /nfs/dbraw/zinc/78/23/59/661782359.db2.gz JWPOYLFYZKZRJJ-LBPRGKRZSA-N 1 0 378.325 2.789 20 0 GFADRO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCCN2S(=O)(=O)CCc2ccccc2Cl)C1 ZINC000850589874 661782640 /nfs/dbraw/zinc/78/26/40/661782640.db2.gz PPTXRTQPAHXKFF-KBAYOESNSA-N 1 0 386.945 2.573 20 0 GFADRO C[C@@H]1C[C@H](C)N(C(=O)c2ccc(C(F)(F)Br)nc2)C[C@H]1C[NH3+] ZINC000851642573 661827733 /nfs/dbraw/zinc/82/77/33/661827733.db2.gz YYDHBCRULFFSCP-JFGNBEQYSA-N 1 0 376.245 2.971 20 0 GFADRO [NH3+]CCC[C@@H](NC(=O)N1CCn2ncc(Br)c2C1)c1ccccc1 ZINC000851666409 661827958 /nfs/dbraw/zinc/82/79/58/661827958.db2.gz HGRANVYBBSFBOR-OAHLLOKOSA-N 1 0 392.301 2.651 20 0 GFADRO CCOP(=O)(OCC)[C@@H](O)C[N@H+](C)Cc1cc(Br)cn1C ZINC000851809702 661833414 /nfs/dbraw/zinc/83/34/14/661833414.db2.gz XQLPVICDOVJTIV-CYBMUJFWSA-N 1 0 383.223 2.804 20 0 GFADRO C[C@H]1CN=C(N2CC[NH+](CC[C@H]3Sc4ccccc4NC3=O)CC2)S1 ZINC000851852533 661839066 /nfs/dbraw/zinc/83/90/66/661839066.db2.gz NXDNNXFOZIOSCU-XJKSGUPXSA-N 1 0 376.551 2.598 20 0 GFADRO CC[NH+](CC)CCS(=O)(=O)N[C@@H](C(C)C)[C@H](O)c1ccc(Cl)cc1 ZINC000851864216 661840735 /nfs/dbraw/zinc/84/07/35/661840735.db2.gz WDIHKQKVQQFAOF-DLBZAZTESA-N 1 0 376.950 2.659 20 0 GFADRO Cc1ccc(N(C)[C@@H]2CCC[N@H+](CCn3cnc(Br)n3)C2)cc1 ZINC000851922056 661845951 /nfs/dbraw/zinc/84/59/51/661845951.db2.gz AASOPFHJHKCEGC-MRXNPFEDSA-N 1 0 378.318 2.950 20 0 GFADRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N1CCn2ncc(Br)c2C1 ZINC000851981296 661847784 /nfs/dbraw/zinc/84/77/84/661847784.db2.gz VKUBNDCQQVZVOW-AWEZNQCLSA-N 1 0 398.349 2.825 20 0 GFADRO Cc1cc(Br)ccc1C[N@@H+](C)C[C@](O)(C(N)=O)c1ccccc1 ZINC000851989968 661847978 /nfs/dbraw/zinc/84/79/78/661847978.db2.gz ZLNQMSNRLQHIEZ-GOSISDBHSA-N 1 0 377.282 2.562 20 0 GFADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)NCCC2SCCS2)[C@@H](C)C1 ZINC000852115909 661853265 /nfs/dbraw/zinc/85/32/65/661853265.db2.gz VIFZISXIASBMLH-GJZGRUSLSA-N 1 0 375.604 2.619 20 0 GFADRO C[C@@H]1CCC[C@@](CNC(=O)N2CCn3ncc(Br)c3C2)([NH+](C)C)C1 ZINC000852188015 661856095 /nfs/dbraw/zinc/85/60/95/661856095.db2.gz STWHFMPDBBXYCY-CXAGYDPISA-N 1 0 398.349 2.681 20 0 GFADRO O=C(NC[C@@H]1CC[N@@H+]1Cc1ccccc1)N[C@@H]1CC[C@H]2SCCS[C@H]12 ZINC000852231223 661857260 /nfs/dbraw/zinc/85/72/60/661857260.db2.gz KUETWAUHQNQJAL-BSDSXHPESA-N 1 0 377.579 2.940 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)NC[C@@H](O)c1ccccc1Br ZINC000852414752 661863606 /nfs/dbraw/zinc/86/36/06/661863606.db2.gz UDWHSUTXZHIVJT-SWLSCSKDSA-N 1 0 384.318 2.655 20 0 GFADRO COC(=O)N(C)CCN(C)CC(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000852571014 661867110 /nfs/dbraw/zinc/86/71/10/661867110.db2.gz SIAKQRXIDNWZBB-UHFFFAOYSA-N 1 0 381.782 2.927 20 0 GFADRO COC(=O)N(C)CC[N@H+](C)CCC(=O)Nc1ccc(Br)cc1F ZINC000852571563 661867337 /nfs/dbraw/zinc/86/73/37/661867337.db2.gz VQRQDXNSYSVOMY-UHFFFAOYSA-N 1 0 390.253 2.547 20 0 GFADRO CC(C)(C)OC(=O)NCC[C@H](O)C[NH2+][C@H](CO)c1cccc(Cl)c1Cl ZINC000852679681 661871213 /nfs/dbraw/zinc/87/12/13/661871213.db2.gz XXAZQBGQRSIPLB-SMDDNHRTSA-N 1 0 393.311 2.892 20 0 GFADRO COC(=O)c1ccc(Br)cc1CN1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000852762797 661873821 /nfs/dbraw/zinc/87/38/21/661873821.db2.gz WUFRQQHJLYYRHG-INIZCTEOSA-N 1 0 399.329 2.778 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)c1cnn(-c2ccccc2)c1Br ZINC000852793352 661874523 /nfs/dbraw/zinc/87/45/23/661874523.db2.gz YGJYUIRJTBLBAL-SWLSCSKDSA-N 1 0 377.286 2.977 20 0 GFADRO CC(C)(Oc1ccc(Br)cc1)C(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000852832824 661875384 /nfs/dbraw/zinc/87/53/84/661875384.db2.gz RQIPWAOXHDXRFF-GFCCVEGCSA-N 1 0 377.229 2.720 20 0 GFADRO C[C@]([NH3+])(C(=O)NC[C@]12OCCC[C@H]1C2(F)F)c1ccc(Br)cc1 ZINC000852855115 661875935 /nfs/dbraw/zinc/87/59/35/661875935.db2.gz FEECZANFNZMQLA-YUELXQCFSA-N 1 0 389.240 2.554 20 0 GFADRO CC(C)[C@H]1CN(C(=O)c2cnn(-c3ccccc3)c2Br)CC[NH2+]1 ZINC000852879908 661876374 /nfs/dbraw/zinc/87/63/74/661876374.db2.gz YDIFGAIQCJTPGM-OAHLLOKOSA-N 1 0 377.286 2.705 20 0 GFADRO C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)c1cnn(-c2ccccc2)c1Br ZINC000852879608 661876389 /nfs/dbraw/zinc/87/63/89/661876389.db2.gz FZDSMOVWJCLSHR-JMSVASOKSA-N 1 0 377.286 2.751 20 0 GFADRO CC1(C)C[NH2+]CC[C@@H]1NC(=O)c1cnn(-c2ccccc2)c1Br ZINC000852882670 661876520 /nfs/dbraw/zinc/87/65/20/661876520.db2.gz NXGAOSOTAAXUDQ-AWEZNQCLSA-N 1 0 377.286 2.753 20 0 GFADRO CN(C[C@H](O)C[NH2+]C[C@@H](O)c1ccc(Cl)c(Cl)c1)C(=O)OC(C)(C)C ZINC000853115978 661882670 /nfs/dbraw/zinc/88/26/70/661882670.db2.gz FWMBAJJYJVIILM-IUODEOHRSA-N 1 0 393.311 2.844 20 0 GFADRO O=C(N1CCC[C@@H]([C@H]2CCCC[N@@H+]2CN2CCSC2=O)C1)C(F)(F)F ZINC000853546139 661891778 /nfs/dbraw/zinc/89/17/78/661891778.db2.gz MAZFMSYFDKUKAB-CHWSQXEVSA-N 1 0 379.448 2.768 20 0 GFADRO O=C1C=C(c2ccc(Br)cc2)CN1C[N@@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC000853588318 661893800 /nfs/dbraw/zinc/89/38/00/661893800.db2.gz GKWVQWGOUDVJMX-ZBFHGGJFSA-N 1 0 377.282 2.601 20 0 GFADRO COCCS(=O)(=O)CCCOc1ccc(C[NH+]2CCCC2)c(Cl)c1 ZINC000853725525 661898670 /nfs/dbraw/zinc/89/86/70/661898670.db2.gz BTCJZQSBPJKCKD-UHFFFAOYSA-N 1 0 375.918 2.766 20 0 GFADRO CC(C)[C@H](c1noc(-c2cn(CC[NH3+])nn2)n1)c1ccc(Br)cc1 ZINC000854147419 661916566 /nfs/dbraw/zinc/91/65/66/661916566.db2.gz GSLAYFMEKURCKM-AWEZNQCLSA-N 1 0 391.273 2.837 20 0 GFADRO CCN(C(=O)Nc1cc2c(cc1Br)OCCO2)[C@@H]1CC[N@H+](C)C1 ZINC000854214289 661918831 /nfs/dbraw/zinc/91/88/31/661918831.db2.gz ICONVQQVZVUNCS-LLVKDONJSA-N 1 0 384.274 2.778 20 0 GFADRO Cc1nc(SCC(C)C)sc1CC(=O)NC[C@@H]1CCC[N@@H+]1CCCO ZINC000854689700 661948010 /nfs/dbraw/zinc/94/80/10/661948010.db2.gz HRYARYYFIKDZAL-HNNXBMFYSA-N 1 0 385.599 2.705 20 0 GFADRO O=C(NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1snc(Cl)c1Cl ZINC000855403386 661990347 /nfs/dbraw/zinc/99/03/47/661990347.db2.gz MNBMCIUVFLTXDD-LBPRGKRZSA-N 1 0 386.304 2.947 20 0 GFADRO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)CN1C(=S)N=NC1c1cccs1 ZINC000855897636 662011766 /nfs/dbraw/zinc/01/17/66/662011766.db2.gz FCYFMXIMPBUNGV-ZDUSSCGKSA-N 1 0 379.555 2.532 20 0 GFADRO O=C(c1ccc(C[NH+]2CCCC2)cc1)N1CCn2ncc(Br)c2C1 ZINC000856009290 662014637 /nfs/dbraw/zinc/01/46/37/662014637.db2.gz CFRZJTWHJFFWBH-UHFFFAOYSA-N 1 0 389.297 2.897 20 0 GFADRO Cc1nc(SC(F)F)sc1CC(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000856430669 662033551 /nfs/dbraw/zinc/03/35/51/662033551.db2.gz KHDFOIPSVDWXLL-GFCCVEGCSA-N 1 0 393.525 2.878 20 0 GFADRO CS(=O)(=O)c1cc(C(=O)NC[C@H]2CCC[N@H+](CC3CC3)C2)ccc1Cl ZINC000856476159 662035395 /nfs/dbraw/zinc/03/53/95/662035395.db2.gz OQDZITZSDBUWOY-CQSZACIVSA-N 1 0 384.929 2.595 20 0 GFADRO CC[N@H+](C)Cc1cc(O[C@@H]2CCN(C(=O)CSC(F)(F)F)C2)ccn1 ZINC000856636620 662037789 /nfs/dbraw/zinc/03/77/89/662037789.db2.gz BZUSBCQPCMTCDK-CQSZACIVSA-N 1 0 377.432 2.766 20 0 GFADRO O=C(COC(=O)c1cscc1C(F)(F)F)NC1CC[NH+](C2CC2)CC1 ZINC000856984990 662056117 /nfs/dbraw/zinc/05/61/17/662056117.db2.gz RMKLRUVIZPYHKG-UHFFFAOYSA-N 1 0 376.400 2.667 20 0 GFADRO O=C(O[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cc(Br)c[nH]c1=O ZINC000856991518 662057090 /nfs/dbraw/zinc/05/70/90/662057090.db2.gz URLFHMDDCAGQBD-AWEZNQCLSA-N 1 0 377.238 2.981 20 0 GFADRO CCOC(=O)C1CCN(C(=O)C[C@@H](C)[NH2+]CC[C@@H]2CC2(Cl)Cl)CC1 ZINC000857065541 662062312 /nfs/dbraw/zinc/06/23/12/662062312.db2.gz QKMCDJWASVAJPD-TZMCWYRMSA-N 1 0 379.328 2.740 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)c2cccnc2I)C1 ZINC000857302901 662072651 /nfs/dbraw/zinc/07/26/51/662072651.db2.gz FAOCTCYQARNRCC-NSHDSACASA-N 1 0 387.265 2.536 20 0 GFADRO O=C(NC[C@@H]1[NH2+]CCc2ccccc21)c1nc(C2CC2)ncc1Br ZINC000857767095 662090256 /nfs/dbraw/zinc/09/02/56/662090256.db2.gz ZKBZLVFGXSVOPD-HNNXBMFYSA-N 1 0 387.281 2.733 20 0 GFADRO C[NH+](C)[C@@H]1CCc2cc(Br)ccc2N(C(=O)c2ncccn2)C1 ZINC000857880059 662093159 /nfs/dbraw/zinc/09/31/59/662093159.db2.gz AWNPYAAGBRJUSE-CQSZACIVSA-N 1 0 375.270 2.762 20 0 GFADRO Cc1cccc([C@@H](C[NH2+]Cc2cn(C)nc2Br)N2CCOCC2)c1 ZINC000858096396 662098570 /nfs/dbraw/zinc/09/85/70/662098570.db2.gz BIRJZHAXWXDYEW-QGZVFWFLSA-N 1 0 393.329 2.654 20 0 GFADRO CC[NH+]1CCN(c2ccc(NCc3cn(C)nc3Br)cc2)CC1 ZINC000858101144 662098925 /nfs/dbraw/zinc/09/89/25/662098925.db2.gz AXIZUJHVZCXJLQ-UHFFFAOYSA-N 1 0 378.318 2.937 20 0 GFADRO CNC(=O)C[C@H](C)[NH2+]Cc1cc(Br)c([C@H](C)OCOC)cc1F ZINC000858173653 662103122 /nfs/dbraw/zinc/10/31/22/662103122.db2.gz DYFOZMKPMMQGIK-QWRGUYRKSA-N 1 0 391.281 2.884 20 0 GFADRO O=S(=O)(N1CCC(C[NH2+][C@H]2CCCc3scnc32)CC1)C(F)(F)F ZINC000858364762 662109757 /nfs/dbraw/zinc/10/97/57/662109757.db2.gz VPYVEWRPVVKHLS-NSHDSACASA-N 1 0 383.461 2.672 20 0 GFADRO CC[C@H]([NH2+][C@H](C)C(=O)N(C)OC)c1ccc(I)cc1 ZINC000858587446 662115749 /nfs/dbraw/zinc/11/57/49/662115749.db2.gz RABBWLPKXBJCKG-MFKMUULPSA-N 1 0 376.238 2.740 20 0 GFADRO C[N@@H+]1CCCC[C@@H](CNC(=O)NC[C@H](O)c2cccc(Br)c2)C1 ZINC000858765469 662122071 /nfs/dbraw/zinc/12/20/71/662122071.db2.gz BWGDZOSYMYQAPO-BBRMVZONSA-N 1 0 384.318 2.514 20 0 GFADRO [NH3+]C1(CNC(=O)Nc2cc3ccccc3nc2Br)CCOCC1 ZINC000859682512 662172317 /nfs/dbraw/zinc/17/23/17/662172317.db2.gz GRRLWRSOBIWKCJ-UHFFFAOYSA-N 1 0 379.258 2.627 20 0 GFADRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)c2cc(Br)cc(C=O)c2)C1 ZINC000859805622 662175717 /nfs/dbraw/zinc/17/57/17/662175717.db2.gz WCRLWSBBSZKYSY-KRWDZBQOSA-N 1 0 397.313 2.835 20 0 GFADRO C[C@H]1C[C@@H](c2ccc(Br)cc2)C[N@@H+]1CCCOC(=O)NC(N)=O ZINC000859960514 662180451 /nfs/dbraw/zinc/18/04/51/662180451.db2.gz HXAWSKDXQMPMNG-WCQYABFASA-N 1 0 384.274 2.822 20 0 GFADRO O=C1[C@H]([NH2+][C@H](CCO)c2cc(Cl)cc(Cl)c2)CCN1C1CCOCC1 ZINC000860046638 662184231 /nfs/dbraw/zinc/18/42/31/662184231.db2.gz BMYFUQAJDQVUSY-IAGOWNOFSA-N 1 0 387.307 2.786 20 0 GFADRO COc1ccc(Br)cc1CC(=O)OC[C@@]1(C)C[C@@H](OC)C[N@@H+]1C ZINC000861347523 662241508 /nfs/dbraw/zinc/24/15/08/662241508.db2.gz PKSJTTDZIXSSDP-RHSMWYFYSA-N 1 0 386.286 2.653 20 0 GFADRO CO[C@@H]1C[N@H+](C)[C@@](C)(COC(=O)Cc2sc(SC(F)F)nc2C)C1 ZINC000861354150 662242158 /nfs/dbraw/zinc/24/21/58/662242158.db2.gz XEEKWBMRJZBFGP-ZUZCIYMTSA-N 1 0 380.482 2.961 20 0 GFADRO O=C(Nc1cccc(Cl)c1SC(F)F)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000861511126 662248660 /nfs/dbraw/zinc/24/86/60/662248660.db2.gz UEDGBLUMNAVNEX-NSHDSACASA-N 1 0 389.855 2.994 20 0 GFADRO O=C(NCc1cc(F)c(Br)cc1F)N[C@@H]1C[NH2+]CCC1(F)F ZINC000861646699 662253283 /nfs/dbraw/zinc/25/32/83/662253283.db2.gz UFSXMYRYPQZIMA-LLVKDONJSA-N 1 0 384.171 2.524 20 0 GFADRO C[C@H](CNC(=O)C(=O)Nc1cccc(SC(F)(F)F)c1)[NH+]1CCCC1 ZINC000861680589 662254658 /nfs/dbraw/zinc/25/46/58/662254658.db2.gz FVCDBZFAZLRZCT-LLVKDONJSA-N 1 0 375.416 2.838 20 0 GFADRO CCC(CC)(CNC(=O)C(=O)N(C)C[C@H](C)[NH3+])c1ccc(Cl)c(Cl)c1 ZINC000861765071 662257911 /nfs/dbraw/zinc/25/79/11/662257911.db2.gz KTUNLEWJIORLST-LBPRGKRZSA-N 1 0 388.339 2.973 20 0 GFADRO C[C@@]1(Br)C[C@H]1C(=O)NC1(C[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000862207447 662273066 /nfs/dbraw/zinc/27/30/66/662273066.db2.gz QSZARPBGHAENBT-FUHWJXTLSA-N 1 0 392.341 2.631 20 0 GFADRO Cc1cc(C[N@@H+]2CCC[C@@H]2C[C@@]2(C)NC(=O)NC2=O)c(Br)cc1F ZINC000862364881 662282694 /nfs/dbraw/zinc/28/26/94/662282694.db2.gz IRWUZFSGEXSYCV-SJKOYZFVSA-N 1 0 398.276 2.849 20 0 GFADRO O=C1OCCN1[C@H]1CC[N@@H+](Cc2c[nH]nc2-c2ccc(Br)s2)C1 ZINC000862411416 662286315 /nfs/dbraw/zinc/28/63/15/662286315.db2.gz AKMPBNVQNWNXBH-NSHDSACASA-N 1 0 397.298 2.927 20 0 GFADRO COC(=O)C1=CC[C@@H]([NH2+]Cc2cc(Br)c3c(c2)OCCCO3)C1 ZINC000862466484 662288756 /nfs/dbraw/zinc/28/87/56/662288756.db2.gz ZFIHPHCYYNAFHT-CYBMUJFWSA-N 1 0 382.254 2.962 20 0 GFADRO CC(C)(C)OC(=O)N1CC(F)(F)C[C@H]1C[N@@H+]1CC[C@H]2CC[C@@H](C1)[S@@]2=O ZINC000862527225 662289857 /nfs/dbraw/zinc/28/98/57/662289857.db2.gz MIIBNIDYIDKHIW-WMJUZZJDSA-N 1 0 378.485 2.617 20 0 GFADRO C[C@H](C(=O)Nc1ccc(Br)cc1Br)N(C)C[C@H](C)[NH3+] ZINC000863566782 662336865 /nfs/dbraw/zinc/33/68/65/662336865.db2.gz PTVAYDGXULBVTD-DTWKUNHWSA-N 1 0 393.123 2.818 20 0 GFADRO CSc1cc(Br)ccc1C(=O)N1CCC(O)(C[NH+](C)C)CC1 ZINC000864076189 662353723 /nfs/dbraw/zinc/35/37/23/662353723.db2.gz KKXCWJSLZBIYME-UHFFFAOYSA-N 1 0 387.343 2.700 20 0 GFADRO Cc1csc2nc(CC(=O)NCC3([NH+]4CCSCC4)CCCC3)cn12 ZINC000864864765 662389034 /nfs/dbraw/zinc/38/90/34/662389034.db2.gz GTJGFIDCRNNGBK-UHFFFAOYSA-N 1 0 378.567 2.725 20 0 GFADRO C[C@H](CNC(=O)c1cc(Br)ncc1Br)[NH+]1CCCC1 ZINC000865176119 662402540 /nfs/dbraw/zinc/40/25/40/662402540.db2.gz MZKJNLHRRUSZQM-SECBINFHSA-N 1 0 391.107 2.821 20 0 GFADRO COCCN(CC1CC[NH+](C)CC1)C(=S)NCCSc1ccccc1 ZINC000865243537 662407597 /nfs/dbraw/zinc/40/75/97/662407597.db2.gz SMBZPXFGUDCWCR-UHFFFAOYSA-N 1 0 381.611 2.943 20 0 GFADRO CCS(=O)(=O)N1CCC([NH2+]Cc2cccc(F)c2OC(F)(F)F)CC1 ZINC000865411159 662419552 /nfs/dbraw/zinc/41/95/52/662419552.db2.gz SNXKEJCFIXDBBV-UHFFFAOYSA-N 1 0 384.395 2.628 20 0 GFADRO CCCS(=O)(=O)N1CCC([NH2+]Cc2ccc(OC(F)F)cc2F)CC1 ZINC000865413580 662419710 /nfs/dbraw/zinc/41/97/10/662419710.db2.gz OROOKWJFXBTCJL-UHFFFAOYSA-N 1 0 380.432 2.721 20 0 GFADRO O=C(NCCC[NH+]1CCCC1)C1CCN(c2cccc(Br)n2)CC1 ZINC000865444046 662421949 /nfs/dbraw/zinc/42/19/49/662421949.db2.gz IDFRBGQKASHEDC-UHFFFAOYSA-N 1 0 395.345 2.663 20 0 GFADRO COCCc1ncc(C[NH2+]C[C@@H](O)c2cc(Cl)c3c(c2)OCCO3)s1 ZINC000865470863 662423632 /nfs/dbraw/zinc/42/36/32/662423632.db2.gz NFMFFDAICNRJCG-CQSZACIVSA-N 1 0 384.885 2.580 20 0 GFADRO Cc1ccnc(C[NH2+]C[C@H](Cc2ccc(F)cc2)C(N)=O)c1Br ZINC000865514889 662426213 /nfs/dbraw/zinc/42/62/13/662426213.db2.gz IUMKBFJBYQWIQP-ZDUSSCGKSA-N 1 0 380.261 2.725 20 0 GFADRO Cn1ncc(Br)c1C[NH2+]C[C@H](CC(F)F)NC(=O)OC(C)(C)C ZINC000865681045 662436313 /nfs/dbraw/zinc/43/63/13/662436313.db2.gz PYCNNLDBMZQBAI-VIFPVBQESA-N 1 0 397.264 2.821 20 0 GFADRO O=S(=O)(c1ccccc1)[C@H]1C[C@H]([NH2+]Cc2ccc(Br)cn2)C1 ZINC000865767219 662442018 /nfs/dbraw/zinc/44/20/18/662442018.db2.gz PNNFQYNHOGJGFC-KOMQPUFPSA-N 1 0 381.295 2.939 20 0 GFADRO O=C1OC[C@]2(C[NH2+]Cc3oc4ccccc4c3Br)COCCN12 ZINC000865771615 662442236 /nfs/dbraw/zinc/44/22/36/662442236.db2.gz XDHKCKFEXWDMEO-INIZCTEOSA-N 1 0 381.226 2.506 20 0 GFADRO CCN1CC[NH+](CCCCNC(=O)/C(C)=C\c2ccc(Br)o2)CC1 ZINC000865794181 662444042 /nfs/dbraw/zinc/44/40/42/662444042.db2.gz NCVROICSCCRCEX-PFONDFGASA-N 1 0 398.345 2.979 20 0 GFADRO CCN1CC[NH+](CCCCNC(=O)/C(C)=C/c2ccc(Br)o2)CC1 ZINC000865794180 662444172 /nfs/dbraw/zinc/44/41/72/662444172.db2.gz NCVROICSCCRCEX-CCEZHUSRSA-N 1 0 398.345 2.979 20 0 GFADRO CSc1ccccc1[C@@H]([NH2+]C[C@]1(O)CCS(=O)(=O)C1)c1ccccc1 ZINC000866365547 662469172 /nfs/dbraw/zinc/46/91/72/662469172.db2.gz XRVBXOUVNRFQQN-RBUKOAKNSA-N 1 0 377.531 2.637 20 0 GFADRO Brc1cccc(Cc2noc(CN3CCC[C@H]4[NH2+]CC[C@H]43)n2)c1 ZINC000866726635 662492124 /nfs/dbraw/zinc/49/21/24/662492124.db2.gz YGYCDLOYFBVQAS-HUUCEWRRSA-N 1 0 377.286 2.749 20 0 GFADRO C[NH2+]C[C@@H]1CCCN(S(=O)(=O)c2oc3ccccc3c2Br)C1 ZINC000866733772 662492778 /nfs/dbraw/zinc/49/27/78/662492778.db2.gz CPLFQIKVSPUTON-NSHDSACASA-N 1 0 387.299 2.815 20 0 GFADRO O=S(=O)(c1oc2ccccc2c1Br)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000866772262 662496590 /nfs/dbraw/zinc/49/65/90/662496590.db2.gz QIIPSRJUNSPDTP-HNNXBMFYSA-N 1 0 385.283 2.712 20 0 GFADRO Cc1cc(S(=O)(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)sc1Br ZINC000866808907 662500519 /nfs/dbraw/zinc/50/05/19/662500519.db2.gz BYZAGZNJBJOGLF-JGPRNRPPSA-N 1 0 379.345 2.628 20 0 GFADRO COc1ccc2nc(Cl)ccc2c1S(=O)(=O)N[C@@H](C)C1CC[NH2+]CC1 ZINC000866812391 662500960 /nfs/dbraw/zinc/50/09/60/662500960.db2.gz FFYLDQGSXOSNJX-NSHDSACASA-N 1 0 383.901 2.563 20 0 GFADRO C[C@H](NS(=O)(=O)Cc1ccc(Cl)cc1Br)C1CC[NH2+]CC1 ZINC000866812914 662501129 /nfs/dbraw/zinc/50/11/29/662501129.db2.gz QNZOSQYVWBREBB-JTQLQIEISA-N 1 0 395.750 2.910 20 0 GFADRO CC(C)(C)[C@@]1(C[NH3+])CCN(S(=O)(=O)c2cc3c(cc2Cl)CCC3=O)C1 ZINC000866814439 662501347 /nfs/dbraw/zinc/50/13/47/662501347.db2.gz QAQAJVCFXMSWJC-GOSISDBHSA-N 1 0 384.929 2.855 20 0 GFADRO O=S(=O)(c1cc(Cl)ccc1Br)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000866826046 662502426 /nfs/dbraw/zinc/50/24/26/662502426.db2.gz VAFVVHVDGOIHII-NEPJUHHUSA-N 1 0 379.707 2.618 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2cc3nc(Cl)ncc3s2)C[C@@H]1C ZINC000866856204 662504102 /nfs/dbraw/zinc/50/41/02/662504102.db2.gz YXPDIPJNMPRCQD-WDEREUQCSA-N 1 0 388.946 2.838 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2cc3nc(Cl)ncc3s2)[C@@H](C)C1 ZINC000866864869 662504727 /nfs/dbraw/zinc/50/47/27/662504727.db2.gz YKSVZUAAAXMUOJ-JQWIXIFHSA-N 1 0 388.946 2.696 20 0 GFADRO Cc1ccc(Br)c(CS(=O)(=O)N(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000866866730 662504746 /nfs/dbraw/zinc/50/47/46/662504746.db2.gz VJJIDLNHPRJDCA-BBRMVZONSA-N 1 0 389.359 2.859 20 0 GFADRO CC(=O)N[C@@H](C(=O)N[C@H]1CCC[N@@H+](C(C)C)C1)c1cccc(Br)c1 ZINC000867456283 662551017 /nfs/dbraw/zinc/55/10/17/662551017.db2.gz AIEKPFCJWBXBTI-DLBZAZTESA-N 1 0 396.329 2.615 20 0 GFADRO C[C@@]1(CS(=O)(=O)N2CCCN(c3cc[nH+]cc3)CC2)CC1(Cl)Cl ZINC000867706496 662568497 /nfs/dbraw/zinc/56/84/97/662568497.db2.gz YFACRWBSZSLCMQ-AWEZNQCLSA-N 1 0 378.325 2.507 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(S(=O)(=O)c3cc(Br)sc3Cl)CC[C@@H]21 ZINC000867813101 662579528 /nfs/dbraw/zinc/57/95/28/662579528.db2.gz QMMZJTQONFGINO-BDAKNGLRSA-N 1 0 399.763 2.879 20 0 GFADRO [NH3+][C@@H](C(=O)NCCc1ccc2c(c1)OCCO2)c1cccc(Br)c1 ZINC000867946395 662588664 /nfs/dbraw/zinc/58/86/64/662588664.db2.gz GOTPCEVEDCCLNK-QGZVFWFLSA-N 1 0 391.265 2.579 20 0 GFADRO [NH3+][C@@H](C(=O)NCc1cnn(CC(F)(F)F)c1)c1cccc(Br)c1 ZINC000867956908 662589262 /nfs/dbraw/zinc/58/92/62/662589262.db2.gz VXGQXTZICRYDAK-GFCCVEGCSA-N 1 0 391.191 2.524 20 0 GFADRO CC(=O)N[C@@H](C(=O)N[C@@](C)(C[NH3+])CC(C)C)c1cccc(Br)c1 ZINC000867960735 662589593 /nfs/dbraw/zinc/58/95/93/662589593.db2.gz PDDJSIRYOPSHFB-NVXWUHKLSA-N 1 0 384.318 2.506 20 0 GFADRO O=C(NC[C@H]1CCCC[NH2+]1)c1c(F)ccc(I)c1Cl ZINC000867962710 662589647 /nfs/dbraw/zinc/58/96/47/662589647.db2.gz AHACWOJLNJLMAI-MRVPVSSYSA-N 1 0 396.631 2.956 20 0 GFADRO COc1ccc(Br)c(CNC(=O)N2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)c1 ZINC000868066872 662593418 /nfs/dbraw/zinc/59/34/18/662593418.db2.gz QWRKYZCSPHSOFF-LRDDRELGSA-N 1 0 382.302 2.693 20 0 GFADRO [NH3+]C[C@H]1CC[C@H](NC(=O)Nc2cc3c(cc2Br)OCCO3)CC1 ZINC000868093124 662594462 /nfs/dbraw/zinc/59/44/62/662594462.db2.gz FQARNMQXKURDCG-XYPYZODXSA-N 1 0 384.274 2.859 20 0 GFADRO C[C@@H]1C[C@H]([NH3+])CN1C(=O)Nc1cnc(Br)c(Br)c1 ZINC000868131275 662595500 /nfs/dbraw/zinc/59/55/00/662595500.db2.gz CCLPPJRHOUTKHX-RQJHMYQMSA-N 1 0 378.068 2.560 20 0 GFADRO O=C(Nc1cnn(-c2ccccc2Br)c1)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000868138174 662595622 /nfs/dbraw/zinc/59/56/22/662595622.db2.gz GXYRFPGCLFZGRM-GOEBONIOSA-N 1 0 390.285 2.993 20 0 GFADRO C[C@@H](CNC(=O)NCc1ncc(Br)s1)C[NH+]1CCCCC1 ZINC000868361440 662602978 /nfs/dbraw/zinc/60/29/78/662602978.db2.gz YYUXHQSYHGOGOL-NSHDSACASA-N 1 0 375.336 2.827 20 0 GFADRO COc1cc(C[NH+](C)C)ccc1NC(=O)c1cc(I)c[nH]1 ZINC000868815297 662620755 /nfs/dbraw/zinc/62/07/55/662620755.db2.gz WVFRGQWCNRINLZ-UHFFFAOYSA-N 1 0 399.232 2.942 20 0 GFADRO C[NH+](C)C1(CNC(=O)c2c(F)ccc(I)c2Cl)CC1 ZINC000868897475 662624229 /nfs/dbraw/zinc/62/42/29/662624229.db2.gz YAJLARSPKQGFOF-UHFFFAOYSA-N 1 0 396.631 2.908 20 0 GFADRO C[C@H](C[C@@H]1CCCC[N@@H+]1C)OC(=O)c1c(Br)nc2n1CCOC2 ZINC000870784987 662701539 /nfs/dbraw/zinc/70/15/39/662701539.db2.gz KPUFMXWFWGDVDX-NEPJUHHUSA-N 1 0 386.290 2.596 20 0 GFADRO C[C@@H](C[C@H]1CCCC[N@@H+]1C)OC(=O)c1c(Br)nc2n1CCOC2 ZINC000870784988 662701694 /nfs/dbraw/zinc/70/16/94/662701694.db2.gz KPUFMXWFWGDVDX-NWDGAFQWSA-N 1 0 386.290 2.596 20 0 GFADRO CC(C)[C@H]([NH3+])CCN(C)C(=O)c1cnn(C(C)C)c1I ZINC000870936713 662709069 /nfs/dbraw/zinc/70/90/69/662709069.db2.gz BZXDSDAWEYJTDV-GFCCVEGCSA-N 1 0 392.285 2.514 20 0 GFADRO COC(=O)C[C@@H](NC(=O)CC[NH2+]CC1CC1)c1ccc(Br)cc1 ZINC000870862148 662703866 /nfs/dbraw/zinc/70/38/66/662703866.db2.gz JFDQQFTYXOXHKR-OAHLLOKOSA-N 1 0 383.286 2.559 20 0 GFADRO [NH3+][C@H](C(=O)NCCCCNc1ccccn1)c1cccc(Br)c1 ZINC000870883091 662704615 /nfs/dbraw/zinc/70/46/15/662704615.db2.gz ZKOSWNIFFLNTGJ-INIZCTEOSA-N 1 0 377.286 2.852 20 0 GFADRO CCC[N@H+](C)CC(=O)Nc1ccc(N2CC[C@@H](CO)C2)c(Br)c1 ZINC000870890488 662706603 /nfs/dbraw/zinc/70/66/03/662706603.db2.gz UDNCHJUBSHILRF-CYBMUJFWSA-N 1 0 384.318 2.548 20 0 GFADRO [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)Nc2ccc(CCn3cc(Br)cn3)cc2)C1 ZINC000870893510 662707207 /nfs/dbraw/zinc/70/72/07/662707207.db2.gz PGXZVGKDFFDSLD-JCKWVBRZSA-N 1 0 389.297 2.954 20 0 GFADRO CO[C@H](C)c1nc(CNC(=O)[C@H]([NH3+])c2cccc(Br)c2)cs1 ZINC000870901980 662707496 /nfs/dbraw/zinc/70/74/96/662707496.db2.gz JNRZBFQQCJXPRC-NOZJJQNGSA-N 1 0 384.299 2.929 20 0 GFADRO [NH3+]C1CCN(C(=O)c2c(F)ccc(I)c2Cl)CC1 ZINC000870931121 662708791 /nfs/dbraw/zinc/70/87/91/662708791.db2.gz OCVOXFUSHGTIKN-UHFFFAOYSA-N 1 0 382.604 2.647 20 0 GFADRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)c1cnn(C(C)C)c1I ZINC000870936714 662709063 /nfs/dbraw/zinc/70/90/63/662709063.db2.gz BZXDSDAWEYJTDV-LBPRGKRZSA-N 1 0 392.285 2.514 20 0 GFADRO O=C(c1cc(Br)cn2ccnc12)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000870951902 662711250 /nfs/dbraw/zinc/71/12/50/662711250.db2.gz XRGSDRBOYAJGDJ-AWEZNQCLSA-N 1 0 391.313 2.949 20 0 GFADRO [NH3+][C@H]1C[C@H](CNC(=O)[C@H]2CCCN(C(=O)c3ccc(Cl)c(Cl)c3)C2)C1 ZINC000870969929 662711660 /nfs/dbraw/zinc/71/16/60/662711660.db2.gz WJICWDBBOMNKKY-UBHSHLNASA-N 1 0 384.307 2.699 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCCCN1S(=O)(=O)c1cc2c(cc1Cl)CCCC(=O)N2 ZINC000871803635 662734578 /nfs/dbraw/zinc/73/45/78/662734578.db2.gz MBPWTBUBRZNCDQ-XHDPSFHLSA-N 1 0 385.917 2.505 20 0 GFADRO CCC(=O)c1ccc(Cl)c(S(=O)(=O)N2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)c1 ZINC000871813426 662735205 /nfs/dbraw/zinc/73/52/05/662735205.db2.gz ILFMOYNVYOLRMY-WDEREUQCSA-N 1 0 398.834 2.690 20 0 GFADRO Cc1c2cc(F)ccc2oc1S(=O)(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000871813140 662735222 /nfs/dbraw/zinc/73/52/22/662735222.db2.gz GGONICQRSHVUET-SKDRFNHKSA-N 1 0 380.363 2.638 20 0 GFADRO Cc1ccc(C(F)(F)F)cc1S(=O)(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000871813910 662735314 /nfs/dbraw/zinc/73/53/14/662735314.db2.gz LEYATYHSUHZZKL-MWLCHTKSSA-N 1 0 390.349 2.772 20 0 GFADRO COCCN1CC[C@H]([NH2+][C@H](c2cccc(Br)c2)[C@@H]2CCOC2)C1 ZINC000872036677 662754439 /nfs/dbraw/zinc/75/44/39/662754439.db2.gz VEAAQSPMNBFUGJ-BPQIPLTHSA-N 1 0 383.330 2.837 20 0 GFADRO CCS(=O)(=O)C[C@H](C)[NH2+][C@@H](c1cccc(Br)c1)[C@H]1CCOC1 ZINC000872046221 662754693 /nfs/dbraw/zinc/75/46/93/662754693.db2.gz VMRPWERUEWPDQS-NOLJZWGESA-N 1 0 390.343 2.940 20 0 GFADRO OCCCN1CCC[C@@H]1C[NH2+][C@H](c1cccc(Br)c1)[C@@H]1CCOC1 ZINC000872075642 662755249 /nfs/dbraw/zinc/75/52/49/662755249.db2.gz TUFGCGGFYZLUFW-BHIYHBOVSA-N 1 0 397.357 2.963 20 0 GFADRO C[C@@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH2+][C@@H]1CCOC[C@H]1O ZINC000872142247 662756472 /nfs/dbraw/zinc/75/64/72/662756472.db2.gz PCTNXNIHKSFKNN-CUOATXAZSA-N 1 0 380.794 2.815 20 0 GFADRO [NH3+]C[C@H]1CN(Cc2cc3c(cc2Br)OCCO3)C[C@H]1C(F)(F)F ZINC000872148102 662756644 /nfs/dbraw/zinc/75/66/44/662756644.db2.gz NIXKKBLXMMHZLQ-WDEREUQCSA-N 1 0 395.219 2.789 20 0 GFADRO [NH3+]C[C@]1(c2nc(Cc3cn4cc(Cl)cc(Cl)c4n3)no2)CCCOC1 ZINC000872178152 662757392 /nfs/dbraw/zinc/75/73/92/662757392.db2.gz SAGVRBMGELHEHT-MRXNPFEDSA-N 1 0 382.251 2.622 20 0 GFADRO O=S(=O)(Cc1noc(/C=C/[C@@H]2CCC[NH2+]C2)n1)Cc1ccc(Cl)cc1 ZINC000872183264 662757574 /nfs/dbraw/zinc/75/75/74/662757574.db2.gz DQKDCQXYCUYXFE-LJLILKBBSA-N 1 0 381.885 2.851 20 0 GFADRO CC(C)(O)C[C@@H](O)C[NH2+]Cc1cc(Cl)cc(I)c1 ZINC000872210320 662758014 /nfs/dbraw/zinc/75/80/14/662758014.db2.gz VWSWNDURPSGNSD-GFCCVEGCSA-N 1 0 383.657 2.556 20 0 GFADRO CC1(C)CC[NH2+]CCN1C(=O)c1cnn(-c2ccc(Br)cc2)c1 ZINC000872293631 662759849 /nfs/dbraw/zinc/75/98/49/662759849.db2.gz CTULLGMTWRAQFR-UHFFFAOYSA-N 1 0 377.286 2.849 20 0 GFADRO C[C@@H]1[C@@H](c2ccc(Br)cc2)OCCN1C(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000872306036 662760078 /nfs/dbraw/zinc/76/00/78/662760078.db2.gz UTGYNRLHNPXPFI-LHVBLOTFSA-N 1 0 379.298 2.865 20 0 GFADRO C[NH+](C)CCCC1CCN(S(=O)(=O)c2cccc(Br)n2)CC1 ZINC000872467278 662770027 /nfs/dbraw/zinc/77/00/27/662770027.db2.gz JPNDOGDZFXHWSF-UHFFFAOYSA-N 1 0 390.347 2.587 20 0 GFADRO COc1cc(C[NH2+]Cc2cc(Br)c(C)s2)ccc1OCC(N)=O ZINC000873028750 662796855 /nfs/dbraw/zinc/79/68/55/662796855.db2.gz ZMNMZURDNTZZTF-UHFFFAOYSA-N 1 0 399.310 2.982 20 0 GFADRO COC1CC[NH+](CCNCc2cccc(F)c2I)CC1 ZINC000873073232 662798860 /nfs/dbraw/zinc/79/88/60/662798860.db2.gz NGTDASWWWDNQFQ-UHFFFAOYSA-N 1 0 392.256 2.631 20 0 GFADRO CN(CCCCCC[NH3+])C(=O)C(=O)Nc1c(F)cc(Br)cc1F ZINC000873110405 662800143 /nfs/dbraw/zinc/80/01/43/662800143.db2.gz RRTFNCRULNRQSJ-UHFFFAOYSA-N 1 0 392.244 2.643 20 0 GFADRO CN(CCCCCC[NH3+])C(=O)C(=O)Nc1ccc(F)c(Br)c1F ZINC000873111000 662800153 /nfs/dbraw/zinc/80/01/53/662800153.db2.gz BOVOULPRMBIIJM-UHFFFAOYSA-N 1 0 392.244 2.643 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)Nc2nnc(-c3ccsc3)s2)C[C@H]1C(F)(F)F ZINC000873303698 662804996 /nfs/dbraw/zinc/80/49/96/662804996.db2.gz LDSACXWFQXGDHS-DTWKUNHWSA-N 1 0 377.417 2.868 20 0 GFADRO O=C(Nc1cccc(F)c1I)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000873314537 662805265 /nfs/dbraw/zinc/80/52/65/662805265.db2.gz NYICEBCIHIUOME-SMDDNHRTSA-N 1 0 389.212 2.836 20 0 GFADRO Cc1cnc(Br)cc1NC(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000873319593 662805372 /nfs/dbraw/zinc/80/53/72/662805372.db2.gz LMUMNZKNGLXBNO-IUCAKERBSA-N 1 0 381.196 2.753 20 0 GFADRO C[NH+](C)C1(C)CCC(NC(=O)C(=O)Nc2ccccc2Br)CC1 ZINC000874119418 662823253 /nfs/dbraw/zinc/82/32/53/662823253.db2.gz BTJFHRHLVKMIOY-UHFFFAOYSA-N 1 0 382.302 2.767 20 0 GFADRO CN(C)Cc1ccc(NC(=O)C(=O)N[C@@H]2CC23CCC3)cc1Br ZINC000874354323 662829959 /nfs/dbraw/zinc/82/99/59/662829959.db2.gz GCKGELVGKGVZGI-CQSZACIVSA-N 1 0 380.286 2.508 20 0 GFADRO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)c1ccn(-c2ccc(Br)cc2)n1 ZINC000874827136 662837586 /nfs/dbraw/zinc/83/75/86/662837586.db2.gz BXXJBEUODGUTCA-IRXDYDNUSA-N 1 0 389.297 2.944 20 0 GFADRO C[NH+](C)C[C@@H](NC(=O)NOC[C@H]1CCOC1)c1ccc(Cl)c(Cl)c1 ZINC000875524128 662847329 /nfs/dbraw/zinc/84/73/29/662847329.db2.gz BHXGTQQVLXPTCO-XHDPSFHLSA-N 1 0 376.284 2.863 20 0 GFADRO Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)Oc2ccc(F)c(Br)c2)cn1 ZINC000875529227 662847469 /nfs/dbraw/zinc/84/74/69/662847469.db2.gz YBWVULPBHSSEKU-UONOGXRCSA-N 1 0 396.260 2.963 20 0 GFADRO C[NH+](C)CCN(Cc1ccccn1)C(=O)NCc1ccc(Br)cn1 ZINC000876216336 662857043 /nfs/dbraw/zinc/85/70/43/662857043.db2.gz ILUHXHZFDZBAFD-UHFFFAOYSA-N 1 0 392.301 2.513 20 0 GFADRO C[NH+](C)CCN(C(=O)NCc1ncc(Br)s1)C1CCCC1 ZINC000876287684 662859098 /nfs/dbraw/zinc/85/90/98/662859098.db2.gz VONMFLAWEDREJE-UHFFFAOYSA-N 1 0 375.336 2.921 20 0 GFADRO O=C(N1CCO[C@@H](c2ccc(Br)cc2)C1)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000876616228 662863545 /nfs/dbraw/zinc/86/35/45/662863545.db2.gz UVDLFPKXIPUSRV-NUJGCVRESA-N 1 0 379.298 2.881 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000876633552 662863913 /nfs/dbraw/zinc/86/39/13/662863913.db2.gz RKDAOAOJQSKBAP-QAPCUYQASA-N 1 0 394.313 2.735 20 0 GFADRO C[NH+](C)C[C@H](N)C(=O)N[C@H](c1cccc(F)c1)c1cccc(Br)c1 ZINC000876691817 662864732 /nfs/dbraw/zinc/86/47/32/662864732.db2.gz QSVHSYVDLLKYOO-IRXDYDNUSA-N 1 0 394.288 2.683 20 0 GFADRO C[C@H](NC(=O)[C@@H](F)[C@@H]1CC[NH2+]C1)c1nc(-c2ccc(Br)cc2)no1 ZINC000876704732 662864991 /nfs/dbraw/zinc/86/49/91/662864991.db2.gz DIQFRYKEPKZNJU-NDMJEZRESA-N 1 0 397.248 2.624 20 0 GFADRO C[S@](=O)C1(C(=O)Nc2ccc(N3CCCCC3)c(Cl)c2)CC[NH2+]CC1 ZINC000876733123 662865462 /nfs/dbraw/zinc/86/54/62/662865462.db2.gz OWDRJAUOTMVWNF-VWLOTQADSA-N 1 0 383.945 2.770 20 0 GFADRO O=C(/C=C\[C@@H]1CCC[NH2+]C1)N[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000876754939 662865850 /nfs/dbraw/zinc/86/58/50/662865850.db2.gz VCUFLDAVFXUZET-SLUZEGGDSA-N 1 0 378.314 2.700 20 0 GFADRO [NH3+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)c1ccc2cncc(Br)c2n1 ZINC000876785116 662866389 /nfs/dbraw/zinc/86/63/89/662866389.db2.gz WTMYXHUVANIBJW-YHWZYXNKSA-N 1 0 375.270 2.877 20 0 GFADRO Cn1ncc(C[NH3+])c1C(=O)N[C@H]1CCCN(c2ccc(Cl)cc2Cl)C1 ZINC000876891263 662867645 /nfs/dbraw/zinc/86/76/45/662867645.db2.gz UKBQUCSSQGWPJV-ZDUSSCGKSA-N 1 0 382.295 2.584 20 0 GFADRO CC(C)n1ncc(C(=O)N2CCc3ccccc3[C@@H]2C[NH3+])c1Br ZINC000876935955 662868348 /nfs/dbraw/zinc/86/83/48/662868348.db2.gz FFPBDXRAVDKERG-HNNXBMFYSA-N 1 0 377.286 2.925 20 0 GFADRO O=C(NCCC[C@H]1CC1(Cl)Cl)c1nnn(C2CC[NH2+]CC2)c1C(F)F ZINC000876949060 662868591 /nfs/dbraw/zinc/86/85/91/662868591.db2.gz RLXXZZBFVAUWJX-VIFPVBQESA-N 1 0 396.269 2.844 20 0 GFADRO CCO[P@](C)(=O)CC[C@H](C)[NH2+][C@H](C)c1ccc(S(=O)(=O)NC)cc1 ZINC000876969054 662868859 /nfs/dbraw/zinc/86/88/59/662868859.db2.gz WJIPUKGQMLJVNS-UDFDBXRZSA-N 1 0 376.459 2.968 20 0 GFADRO Cn1c(C(=O)NCC2([NH3+])CCOCC2)ccc1-c1ccccc1Br ZINC000877014269 662869682 /nfs/dbraw/zinc/86/96/82/662869682.db2.gz UJQXTJQIYDKQDV-UHFFFAOYSA-N 1 0 392.297 2.692 20 0 GFADRO [NH3+]C1(CNC(=O)COc2ccc(C3SCCCS3)cc2)CCOCC1 ZINC000877014259 662869692 /nfs/dbraw/zinc/86/96/92/662869692.db2.gz TVEVFVSYOPJRFU-UHFFFAOYSA-N 1 0 382.551 2.558 20 0 GFADRO Cc1cc(Br)ccc1CC(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000877117050 662871323 /nfs/dbraw/zinc/87/13/23/662871323.db2.gz ZWNPOISFAQWNDG-GOSISDBHSA-N 1 0 395.341 2.917 20 0 GFADRO COC(=O)c1ccc(C[NH2+][C@@H](C)C(=O)NCc2ccco2)cc1Br ZINC000877149787 662871753 /nfs/dbraw/zinc/87/17/53/662871753.db2.gz GJUSDNSZQIPAOW-NSHDSACASA-N 1 0 395.253 2.623 20 0 GFADRO C[C@]([NH3+])(C(=O)N[C@H](C1CCC1)[C@@H]1CCOC1)c1ccc(Br)cc1 ZINC000877231817 662872339 /nfs/dbraw/zinc/87/23/39/662872339.db2.gz UOBDBTQJBIAFOL-MZMPZRCHSA-N 1 0 381.314 2.944 20 0 GFADRO O=C(c1cnn(-c2ccccc2)c1Br)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000877275525 662872889 /nfs/dbraw/zinc/87/28/89/662872889.db2.gz UHGCTYJGBXUNEB-HUUCEWRRSA-N 1 0 375.270 2.601 20 0 GFADRO Cc1cc(C(=O)N2CCC[C@@H]3[NH2+]CC[C@@H]32)nn1-c1ccc(Br)cc1 ZINC000877281073 662873077 /nfs/dbraw/zinc/87/30/77/662873077.db2.gz YMAKZEDAMHEMHI-RDJZCZTQSA-N 1 0 389.297 2.910 20 0 GFADRO O=C(c1ccc(Cl)c(I)c1)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000877281740 662873163 /nfs/dbraw/zinc/87/31/63/662873163.db2.gz ALMIJADGSDYYRU-STQMWFEESA-N 1 0 390.652 2.911 20 0 GFADRO O=C(c1cnn(-c2ccc(Br)cc2)c1)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000877282574 662873180 /nfs/dbraw/zinc/87/31/80/662873180.db2.gz RNSFIXMZADHYID-JKSUJKDBSA-N 1 0 375.270 2.601 20 0 GFADRO O=C(Cc1csc(-c2cccs2)n1)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000877331836 662873782 /nfs/dbraw/zinc/87/37/82/662873782.db2.gz VLFJXTKOWMEAQP-AWEZNQCLSA-N 1 0 377.535 2.689 20 0 GFADRO CC(C)n1cc(Br)cc1C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000877334292 662873850 /nfs/dbraw/zinc/87/38/50/662873850.db2.gz NFTBVVBFZKCFGD-AWEZNQCLSA-N 1 0 384.318 2.720 20 0 GFADRO O=C(NC[C@H]1CC2(CO1)CC[NH2+]CC2)c1c(F)cc(Br)cc1F ZINC000877337786 662873943 /nfs/dbraw/zinc/87/39/43/662873943.db2.gz WYRYNPBRASLUTN-LLVKDONJSA-N 1 0 389.240 2.616 20 0 GFADRO COc1ccc(Br)c(CC(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)c1 ZINC000877359078 662874436 /nfs/dbraw/zinc/87/44/36/662874436.db2.gz QWWZJWKWGAOSOZ-PWSUYJOCSA-N 1 0 395.219 2.596 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)c2cc(F)c(F)cc2Br)C[C@@H]1C(F)(F)F ZINC000877361494 662874606 /nfs/dbraw/zinc/87/46/06/662874606.db2.gz UROFZCIBYXZPKO-SVRRBLITSA-N 1 0 387.146 2.937 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)CCc2ccccc2Br)C[C@@H]1C(F)(F)F ZINC000877365921 662874706 /nfs/dbraw/zinc/87/47/06/662874706.db2.gz HAGROOKQVRTZTG-RYUDHWBXSA-N 1 0 379.220 2.977 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)c2c(F)cc(Br)cc2F)C[C@H]1C(F)(F)F ZINC000877367338 662874854 /nfs/dbraw/zinc/87/48/54/662874854.db2.gz LPYROPIKKQUASD-HTRCEHHLSA-N 1 0 387.146 2.937 20 0 GFADRO O=C(N[C@@]12CCC[C@H]1[NH2+]CC2)c1ccn(-c2cccc(Br)c2)n1 ZINC000877389973 662875299 /nfs/dbraw/zinc/87/52/99/662875299.db2.gz AZDBYYWYCWEDIN-NVXWUHKLSA-N 1 0 375.270 2.649 20 0 GFADRO O=S1(=O)CCC(C[NH2+][C@H]2CCN(c3ccccc3C(F)(F)F)C2)CC1 ZINC000877423911 662875922 /nfs/dbraw/zinc/87/59/22/662875922.db2.gz NPNHQYOQTSZKMH-AWEZNQCLSA-N 1 0 376.444 2.699 20 0 GFADRO CN(CCCCCC[NH3+])C(=O)CN1C(=S)N=NC1c1ccc(Cl)cc1 ZINC000877442521 662876042 /nfs/dbraw/zinc/87/60/42/662876042.db2.gz LUQVYPJIHQMOTJ-UHFFFAOYSA-N 1 0 381.933 2.865 20 0 GFADRO CN(CCCCCC[NH3+])C(=O)c1sccc1S(=O)(=O)N1CCCCC1 ZINC000877442747 662876083 /nfs/dbraw/zinc/87/60/83/662876083.db2.gz WCMDRKYUFDDMPI-UHFFFAOYSA-N 1 0 387.571 2.514 20 0 GFADRO Cc1ccc(Br)c(F)c1C[N@@H+]1CCC[C@@H]1C[C@]1(C)NC(=O)NC1=O ZINC000877517546 662877823 /nfs/dbraw/zinc/87/78/23/662877823.db2.gz NQEXOHPDMNPYBE-DIFFPNOSSA-N 1 0 398.276 2.849 20 0 GFADRO CCO[P@](C)(=O)CC[C@@H](C)[NH2+][C@H]1CCN(S(=O)(=O)c2ccccc2)C1 ZINC000877534661 662878342 /nfs/dbraw/zinc/87/83/42/662878342.db2.gz MWOGOEWXGRORIS-YPCHGGDPSA-N 1 0 388.470 2.762 20 0 GFADRO C[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)[NH2+]Cc1cnn2cc(Br)cnc12 ZINC000877561233 662878938 /nfs/dbraw/zinc/87/89/38/662878938.db2.gz JZLMYFVCLVAMPD-GHMZBOCLSA-N 1 0 398.305 2.883 20 0 GFADRO CCO[P@](C)(=O)CC[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000877577201 662879259 /nfs/dbraw/zinc/87/92/59/662879259.db2.gz BUVAEQMCNOSJQJ-XGZNKIABSA-N 1 0 378.450 2.935 20 0 GFADRO COC(=O)c1ccc(C[NH2+]CCC(C)(C)S(C)(=O)=O)cc1Br ZINC000877590228 662879611 /nfs/dbraw/zinc/87/96/11/662879611.db2.gz XFQLDHNPLZPDOU-UHFFFAOYSA-N 1 0 392.315 2.539 20 0 GFADRO COC(=O)c1ccc(C[NH2+][C@H]2CCN(CC(F)F)C2)cc1Br ZINC000877594406 662879624 /nfs/dbraw/zinc/87/96/24/662879624.db2.gz SPHKRPARTJTZEE-NSHDSACASA-N 1 0 377.229 2.665 20 0 GFADRO CCN(OC)C(=O)C[NH2+][C@@H]1CCN(C)[C@H](c2ccc(Br)cc2)C1 ZINC000877607996 662879894 /nfs/dbraw/zinc/87/98/94/662879894.db2.gz OISZGVBIHBUMPK-CVEARBPZSA-N 1 0 384.318 2.584 20 0 GFADRO COC(=O)c1ccc(CN2CC[C@H]3CC[C@@H](C2)[S@@]3=O)cc1Br ZINC000877657017 662880912 /nfs/dbraw/zinc/88/09/12/662880912.db2.gz DSKLEXDQHWVWNR-GPAUDHNESA-N 1 0 386.311 2.721 20 0 GFADRO CCO[P@](C)(=O)CC[C@H](C)[NH2+]Cc1c(I)cnn1C ZINC000877775699 662883375 /nfs/dbraw/zinc/88/33/75/662883375.db2.gz ZGNNDZZRWJEZPM-OVWNDWIMSA-N 1 0 399.213 2.837 20 0 GFADRO COc1cc(C)c(C[N@H+](C)C[C@H](O)c2cc(Br)no2)cc1OC ZINC000877904372 662885638 /nfs/dbraw/zinc/88/56/38/662885638.db2.gz IOMJGADIAZLFMD-LBPRGKRZSA-N 1 0 385.258 2.928 20 0 GFADRO CCN(CC(=O)NC1CC[NH+](C)CC1)Cc1cc(Br)ccc1F ZINC000878005908 662888011 /nfs/dbraw/zinc/88/80/11/662888011.db2.gz ZJFIPENWFPJTMU-UHFFFAOYSA-N 1 0 386.309 2.621 20 0 GFADRO C[N@H+](C[C@H](O)C[C@@H](O)c1ccccc1)[C@H](CO)c1cccc(Br)c1 ZINC000878328088 662893990 /nfs/dbraw/zinc/89/39/90/662893990.db2.gz AIUFOYPDUTYTOC-GUDVDZBRSA-N 1 0 394.309 2.899 20 0 GFADRO CC[N@@H+]1CC[C@H]1CNC(=O)Nc1cc(Br)ccc1N1CCOCC1 ZINC000878339576 662894155 /nfs/dbraw/zinc/89/41/55/662894155.db2.gz DASHJWDEZAHTJL-AWEZNQCLSA-N 1 0 397.317 2.501 20 0 GFADRO C[NH+]1CCC(NC(=O)CN2CCC[C@H]2c2cc(F)cc(Br)c2)CC1 ZINC000878438727 662896530 /nfs/dbraw/zinc/89/65/30/662896530.db2.gz MFJRCNUKUOCOPG-KRWDZBQOSA-N 1 0 398.320 2.936 20 0 GFADRO C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+]CCCS(=O)(=O)C(C)(C)C ZINC000878596824 662899883 /nfs/dbraw/zinc/89/98/83/662899883.db2.gz HWDYKDPWVYDQMR-CABCVRRESA-N 1 0 376.563 2.825 20 0 GFADRO OC[C@H]1C[N@H+](C[C@@H](O)c2ccc(Br)cc2)CC[C@H]1C(F)(F)F ZINC000878604646 662900224 /nfs/dbraw/zinc/90/02/24/662900224.db2.gz DMDYLAMMJSFPTL-MRVWCRGKSA-N 1 0 382.220 2.975 20 0 GFADRO CN1CC[NH+](C2CCN(C(=O)Nc3ccc(F)c(Br)c3)CC2)CC1 ZINC000878835462 662907110 /nfs/dbraw/zinc/90/71/10/662907110.db2.gz IFGQCQIQSVRJOO-UHFFFAOYSA-N 1 0 399.308 2.832 20 0 GFADRO OCC1(C[C@@H](O)C[N@@H+]2CC[C@@H](Oc3cncc(Br)c3)C2)CCCC1 ZINC000878876847 662908089 /nfs/dbraw/zinc/90/80/89/662908089.db2.gz VWABRIOEVJJOKP-HZPDHXFCSA-N 1 0 399.329 2.601 20 0 GFADRO C[C@@](O)(C[NH+]1CCC2(CCSCC2)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000879199946 662920380 /nfs/dbraw/zinc/92/03/80/662920380.db2.gz DEXIGWAJJNEIFK-GOSISDBHSA-N 1 0 383.579 2.907 20 0 GFADRO NC(=O)c1ccsc1NC(=O)CC[NH+]1CCC(Cc2nccs2)CC1 ZINC000879204911 662920592 /nfs/dbraw/zinc/92/05/92/662920592.db2.gz AADXNHOEDORZEJ-UHFFFAOYSA-N 1 0 378.523 2.587 20 0 GFADRO COc1ccc(C[N@H+](CCn2cnc(Br)n2)[C@@H](C)CCCO)cc1 ZINC000879287106 662922619 /nfs/dbraw/zinc/92/26/19/662922619.db2.gz BPZVSXFDOOUZHF-AWEZNQCLSA-N 1 0 397.317 2.712 20 0 GFADRO CC(C)([NH2+]CC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl)[C@@H]1CCCCO1 ZINC000879406208 662925442 /nfs/dbraw/zinc/92/54/42/662925442.db2.gz DLFYRPLXZJCIDV-HNNXBMFYSA-N 1 0 388.917 2.619 20 0 GFADRO COCCN(CC1CC[NH+](C)CC1)C(=O)Nc1cc(C)cnc1Br ZINC000879620997 662930739 /nfs/dbraw/zinc/93/07/39/662930739.db2.gz UGHUPDBJJQAPDO-UHFFFAOYSA-N 1 0 399.333 2.975 20 0 GFADRO CONC(=O)C1CC[NH+](CCCC(=O)c2ccc(Br)cc2)CC1 ZINC000879923071 662942177 /nfs/dbraw/zinc/94/21/77/662942177.db2.gz AKODDRQAUMPYLT-UHFFFAOYSA-N 1 0 383.286 2.802 20 0 GFADRO Cc1csc([C@@H]2CC[N@H+](Cc3ccc(S(=O)(=O)NC4CC4)cc3)C2)n1 ZINC000880011563 662945164 /nfs/dbraw/zinc/94/51/64/662945164.db2.gz LVCOCQDSHMSAKF-OAHLLOKOSA-N 1 0 377.535 2.882 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)Nc2cn(C)nc2Br)C[N@@H+]1Cc1ccccc1 ZINC000880049502 662947397 /nfs/dbraw/zinc/94/73/97/662947397.db2.gz SIQRSTKNWJEWAQ-OCCSQVGLSA-N 1 0 392.301 2.967 20 0 GFADRO CC(C)(O)[C@@H]1CC[N@H+](C[C@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000880144886 662952531 /nfs/dbraw/zinc/95/25/31/662952531.db2.gz FOFQIBQJTDBTJY-YPMHNXCESA-N 1 0 392.721 2.935 20 0 GFADRO Cn1nnc2cc(C[NH2+][C@@]3(c4ccc(Br)cc4)C[C@@H](O)C3)ccc21 ZINC000880219266 662955292 /nfs/dbraw/zinc/95/52/92/662955292.db2.gz ZAWYGDQPUCYJID-RHNCMZPLSA-N 1 0 387.281 2.871 20 0 GFADRO CC(=O)N1C[C@@H]2C[N@@H+](CCOc3ccc(Cl)cc3Br)C[C@@H]2C1 ZINC000880309966 662957484 /nfs/dbraw/zinc/95/74/84/662957484.db2.gz VAPSGDWPLMXUPY-BETUJISGSA-N 1 0 387.705 2.891 20 0 GFADRO O=c1cc(C[NH+]2CCC3(CCCCO3)CC2)nc2ccc(Br)cn12 ZINC000880455635 662960496 /nfs/dbraw/zinc/96/04/96/662960496.db2.gz AJPWLKDCJDMQNK-UHFFFAOYSA-N 1 0 392.297 2.992 20 0 GFADRO O[C@@H](COc1cc(Cl)ccc1Cl)C[NH+]1CCC2(CC1)COCCO2 ZINC000880540899 662962035 /nfs/dbraw/zinc/96/20/35/662962035.db2.gz QIJGRSSKSUOSFW-CQSZACIVSA-N 1 0 376.280 2.615 20 0 GFADRO O[C@@H](C[N@H+]1Cc2ccccc2N2CCC[C@@H]2C1)c1cc(Br)no1 ZINC000880553000 662962529 /nfs/dbraw/zinc/96/25/29/662962529.db2.gz JAXSNGFTQLPYER-HIFRSBDPSA-N 1 0 378.270 2.955 20 0 GFADRO C[N@@H+]1C[C@@H]2CCCN(C(=O)Nc3c4c(ccc3Br)OCC4)[C@@H]2C1 ZINC000880797973 662969695 /nfs/dbraw/zinc/96/96/95/662969695.db2.gz GJBSKAPWTFGWSI-SMDDNHRTSA-N 1 0 380.286 2.942 20 0 GFADRO O=C(Nc1cccc(F)c1Br)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000881140594 662983128 /nfs/dbraw/zinc/98/31/28/662983128.db2.gz FHYANXLBGFSNTI-KGLIPLIRSA-N 1 0 386.265 2.651 20 0 GFADRO O=C(N[C@H](c1cccc(Cl)c1)C(F)F)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000881217842 662985079 /nfs/dbraw/zinc/98/50/79/662985079.db2.gz AJTRFJWNPWCJGK-LSDHHAIUSA-N 1 0 375.847 2.792 20 0 GFADRO CCCCOC(=O)[C@H](C)n1cc([C@@H]([NH3+])c2ccc(Br)cc2)nn1 ZINC000881292441 662988985 /nfs/dbraw/zinc/98/89/85/662988985.db2.gz FNDRNMXPBLYSOO-NHYWBVRUSA-N 1 0 381.274 2.993 20 0 GFADRO CC1(C)OC[C@@H](CCn2cc([C@@H]([NH3+])c3ccc(Br)cc3)nn2)O1 ZINC000881395708 662992639 /nfs/dbraw/zinc/99/26/39/662992639.db2.gz UOFFJHDUHICLTF-HIFRSBDPSA-N 1 0 381.274 2.630 20 0 GFADRO CC(C)CN(CC1CC[NH+](C)CC1)C(=O)Cc1c(Br)cnn1C ZINC000881443925 662994500 /nfs/dbraw/zinc/99/45/00/662994500.db2.gz AJVGDNPTVBEESG-UHFFFAOYSA-N 1 0 385.350 2.552 20 0 GFADRO O=C(Cc1cc(F)ccc1Br)N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000881473870 662995258 /nfs/dbraw/zinc/99/52/58/662995258.db2.gz BJDBEKPHUSDMOR-INIZCTEOSA-N 1 0 399.304 2.890 20 0 GFADRO COc1ccc(C(=O)N2CCC[C@H]([NH2+]C3CCOCC3)C2)c(Br)c1 ZINC000881473145 662995324 /nfs/dbraw/zinc/99/53/24/662995324.db2.gz XYPONNFAHXBGMR-AWEZNQCLSA-N 1 0 397.313 2.831 20 0 GFADRO Cc1sc(Br)nc1C(=O)N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000881476291 662995566 /nfs/dbraw/zinc/99/55/66/662995566.db2.gz NHJVOJDIEGOBED-LBPRGKRZSA-N 1 0 388.331 2.587 20 0 GFADRO C[NH+](C)Cc1cccc(CNS(=O)(=O)N=[S@](C)(=O)C2CCCCC2)c1 ZINC000881781659 663002988 /nfs/dbraw/zinc/00/29/88/663002988.db2.gz XSTBNINZZYWGBM-XMMPIXPASA-N 1 0 387.571 2.513 20 0 GFADRO C[NH+](C)CCOc1ccc(CNS(=O)(=O)CC[C@@H]2CC2(Cl)Cl)cc1 ZINC000881795269 663003624 /nfs/dbraw/zinc/00/36/24/663003624.db2.gz FIDFFTJHWZJIBO-CQSZACIVSA-N 1 0 395.352 2.630 20 0 GFADRO O=S(=O)(c1cnc(Cl)cc1C(F)(F)F)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000881856438 663006283 /nfs/dbraw/zinc/00/62/83/663006283.db2.gz ITZTZNGGDAYBCG-JTQLQIEISA-N 1 0 383.823 2.613 20 0 GFADRO C[C@H]1CN(S(=O)(=O)c2cnc(Cl)c(Cl)c2)CCN1c1cc[nH+]cc1 ZINC000882620954 663033605 /nfs/dbraw/zinc/03/36/05/663033605.db2.gz DKCLWTFONHHFNW-NSHDSACASA-N 1 0 387.292 2.683 20 0 GFADRO C[C@@H](c1ccccc1)[NH+]1CCN(c2ccc3nnc(Br)n3n2)CC1 ZINC000882810587 663042807 /nfs/dbraw/zinc/04/28/07/663042807.db2.gz WYXCNJJXWOBWLM-ZDUSSCGKSA-N 1 0 387.285 2.770 20 0 GFADRO COC[C@H]([NH2+]Cc1cc(Br)c(OC)c(OC)c1)[C@@H]1CCCOC1 ZINC000883201314 663051239 /nfs/dbraw/zinc/05/12/39/663051239.db2.gz COGGRNVGCCYMRL-HIFRSBDPSA-N 1 0 388.302 2.998 20 0 GFADRO COC[C@H]([NH2+]Cc1cc(OC)c(OC)cc1Br)[C@@H]1CCCOC1 ZINC000883201975 663051333 /nfs/dbraw/zinc/05/13/33/663051333.db2.gz QTJNYDDVSRYDQV-DOMZBBRYSA-N 1 0 388.302 2.998 20 0 GFADRO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+][C@@H](COC)[C@H]2CCCOC2)c1 ZINC000883227942 663051748 /nfs/dbraw/zinc/05/17/48/663051748.db2.gz BEVWVNXBRLXPHI-YOEHRIQHSA-N 1 0 375.918 2.665 20 0 GFADRO Cc1cc(C[NH2+]Cc2ccc(N3CCNC3=O)cc2)ncc1Br ZINC000883280849 663052290 /nfs/dbraw/zinc/05/22/90/663052290.db2.gz PHXGXRFBNSBUPF-UHFFFAOYSA-N 1 0 375.270 2.972 20 0 GFADRO C[C@H]([NH2+]CC1(S(=O)(=O)NC(C)(C)C)CC1)c1cncc(Br)c1 ZINC000883301010 663053033 /nfs/dbraw/zinc/05/30/33/663053033.db2.gz NQVANHRITLOYCM-NSHDSACASA-N 1 0 390.347 2.745 20 0 GFADRO C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]CC[C@H]1CCCS1(=O)=O ZINC000883306284 663053220 /nfs/dbraw/zinc/05/32/20/663053220.db2.gz RQWCENXTQKMQTK-GDBMZVCRSA-N 1 0 386.945 2.634 20 0 GFADRO CS(=O)(=O)[C@H]1C[C@H](NCc2cc(OC(F)F)ccc2Br)C1 ZINC000883380174 663054418 /nfs/dbraw/zinc/05/44/18/663054418.db2.gz CDQWIQNQDOKMBP-HOMQSWHASA-N 1 0 384.242 2.716 20 0 GFADRO [NH3+]CCN(CC(=O)Nc1ccc(Br)cc1Cl)CC(F)(F)F ZINC000883445011 663055256 /nfs/dbraw/zinc/05/52/56/663055256.db2.gz BVGPZLUMRJUVAY-UHFFFAOYSA-N 1 0 388.615 2.864 20 0 GFADRO Cc1ccc(Br)c(S(=O)(=O)N(CCC[NH3+])CC(F)(F)F)c1 ZINC000883470774 663055646 /nfs/dbraw/zinc/05/56/46/663055646.db2.gz HFYXHSLCVMTFNR-UHFFFAOYSA-N 1 0 389.237 2.659 20 0 GFADRO [NH3+]Cc1nc2c(s1)CCN(S(=O)(=O)c1cc(Cl)cc(Cl)c1)C2 ZINC000883481345 663055869 /nfs/dbraw/zinc/05/58/69/663055869.db2.gz HYNQITAZHNHXIH-UHFFFAOYSA-N 1 0 378.306 2.656 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)Nc1cc(Br)cc2c1NC(=O)CO2 ZINC000883592791 663057511 /nfs/dbraw/zinc/05/75/11/663057511.db2.gz SYCIUMBRGXXFIG-JOYOIKCWSA-N 1 0 397.273 2.514 20 0 GFADRO CC(C)c1ccc([C@@H]([NH3+])CNC(=O)Cc2c(Br)cnn2C)cc1 ZINC000884025788 663063966 /nfs/dbraw/zinc/06/39/66/663063966.db2.gz ICUZRLUWIIVWOR-HNNXBMFYSA-N 1 0 379.302 2.665 20 0 GFADRO CC(C)[C@H]([NH3+])C(C)(C)C(=O)N(C)CC(=O)Nc1ccccc1Br ZINC000884054024 663064215 /nfs/dbraw/zinc/06/42/15/663064215.db2.gz OGJDMGHKFHTLFD-HNNXBMFYSA-N 1 0 384.318 2.856 20 0 GFADRO CC1(C)C[NH2+]C[C@@H]1C(=O)NCC1(c2ccc(Br)cc2)CCOCC1 ZINC000884119200 663065520 /nfs/dbraw/zinc/06/55/20/663065520.db2.gz FUBUFVPULGVNOW-MRXNPFEDSA-N 1 0 395.341 2.859 20 0 GFADRO COCC[C@@H]([NH3+])C(=O)Nc1cc(-c2cc(Br)ccc2Cl)[nH]n1 ZINC000884116813 663065540 /nfs/dbraw/zinc/06/55/40/663065540.db2.gz GTPSHNHPNZZFGR-LLVKDONJSA-N 1 0 387.665 2.795 20 0 GFADRO [NH3+][C@@H](C(=O)NC[C@@H](CCO)c1ccccc1)c1ccc(Br)cc1 ZINC000884139747 663065847 /nfs/dbraw/zinc/06/58/47/663065847.db2.gz AMVJQKWAWBPTLJ-NVXWUHKLSA-N 1 0 377.282 2.731 20 0 GFADRO Cc1ncc2c(n1)CCC[C@H]2NC(=O)[C@@H]([NH3+])c1ccc(Br)cc1 ZINC000884137081 663065882 /nfs/dbraw/zinc/06/58/82/663065882.db2.gz CVVFMKREAQTFLK-CVEARBPZSA-N 1 0 375.270 2.741 20 0 GFADRO CS(=O)(=O)CC[C@H]([NH3+])C(=O)N[C@H](c1cccc(Cl)c1)C1CCCCC1 ZINC000884161843 663066321 /nfs/dbraw/zinc/06/63/21/663066321.db2.gz OAEAUJOECFPBCC-IRXDYDNUSA-N 1 0 386.945 2.840 20 0 GFADRO [NH3+][C@H](C(=O)N1CCCN(CC(F)(F)F)CC1)c1ccc(Br)cc1 ZINC000884186037 663066756 /nfs/dbraw/zinc/06/67/56/663066756.db2.gz OLBIFYCAHLXPTD-ZDUSSCGKSA-N 1 0 394.235 2.546 20 0 GFADRO CC1(C)[C@@H]([NH3+])C[C@@H]1NC(=O)c1cc(Br)nn1-c1ncccc1Cl ZINC000884366185 663069596 /nfs/dbraw/zinc/06/95/96/663069596.db2.gz VLNBWIDCWNBQBP-QWRGUYRKSA-N 1 0 398.692 2.539 20 0 GFADRO O=C(Nc1ccc(F)c(Br)c1F)c1ccnc(N2CC[NH2+]CC2)c1 ZINC000884414624 663070356 /nfs/dbraw/zinc/07/03/56/663070356.db2.gz XCYGJDPYNNCOSS-UHFFFAOYSA-N 1 0 397.223 2.784 20 0 GFADRO O=S(=O)(/C=C/c1ccc(Br)cc1)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000884950225 663079180 /nfs/dbraw/zinc/07/91/80/663079180.db2.gz MUVYTBUEJDYJTK-IRZHHCKBSA-N 1 0 385.327 2.966 20 0 GFADRO C[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@@](O)(c2ccc(Br)cc2)C1 ZINC000884969596 663081314 /nfs/dbraw/zinc/08/13/14/663081314.db2.gz KSBIVSBFTZOECU-UGSOOPFHSA-N 1 0 392.297 2.861 20 0 GFADRO Cc1cnc(Cl)c(S(=O)(=O)NCC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000885082152 663084418 /nfs/dbraw/zinc/08/44/18/663084418.db2.gz LOFDWRXDNIQVEL-UHFFFAOYSA-N 1 0 380.901 2.633 20 0 GFADRO O=C(NC[C@H]1CC[N@@H+]1C1CCOCC1)C1(c2ccc(Br)cc2)CC1 ZINC000885861557 663099439 /nfs/dbraw/zinc/09/94/39/663099439.db2.gz XNTNAXXCPXGNMO-QGZVFWFLSA-N 1 0 393.325 2.850 20 0 GFADRO C[C@H](Oc1ccccc1Br)C(=O)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000885868435 663099583 /nfs/dbraw/zinc/09/95/83/663099583.db2.gz HMXJXUBCJNCQSS-ZFWWWQNUSA-N 1 0 397.313 2.586 20 0 GFADRO C[C@H](C(=O)NC[C@H]1CC[N@@H+]1C1CCOCC1)c1ccc(Br)cc1 ZINC000885875999 663100052 /nfs/dbraw/zinc/10/00/52/663100052.db2.gz MPSFDJWFDRFQEU-SUMWQHHRSA-N 1 0 381.314 2.922 20 0 GFADRO O=C(NC[C@@H]1CC[N@@H+]1C1CCOCC1)C1(c2ccccc2Br)CC1 ZINC000885883167 663100325 /nfs/dbraw/zinc/10/03/25/663100325.db2.gz PGSRAYBJXUPEQH-HNNXBMFYSA-N 1 0 393.325 2.850 20 0 GFADRO O=C(NC[C@H]1CC[N@@H+]1C1CCOCC1)C1(c2ccccc2Br)CC1 ZINC000885883168 663100439 /nfs/dbraw/zinc/10/04/39/663100439.db2.gz PGSRAYBJXUPEQH-OAHLLOKOSA-N 1 0 393.325 2.850 20 0 GFADRO O=S(=O)(c1ccccc1)N1CCC(C[NH2+]Cc2ccc(Cl)cn2)CC1 ZINC000885970638 663102182 /nfs/dbraw/zinc/10/21/82/663102182.db2.gz FZZXYYBJULLLGK-UHFFFAOYSA-N 1 0 379.913 2.926 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+][C@H](CO)C[C@H]1CCCO1 ZINC000886225757 663105196 /nfs/dbraw/zinc/10/51/96/663105196.db2.gz BKJXBIYEFQICFH-FUHWJXTLSA-N 1 0 394.313 2.963 20 0 GFADRO Cc1nn(C)c(C[NH2+]CC[C@H]2CCC3(CCOCC3)CO2)c1Br ZINC000886299265 663107796 /nfs/dbraw/zinc/10/77/96/663107796.db2.gz UORRQBSXNYLCDS-CQSZACIVSA-N 1 0 386.334 2.947 20 0 GFADRO COc1ccc(C[NH2+]C[C@@H]2CC[C@]3(CO[C@H](C)C3)O2)c(Br)c1O ZINC000886332638 663108505 /nfs/dbraw/zinc/10/85/05/663108505.db2.gz XCHXFFWOODETFX-ZUCKAHLUSA-N 1 0 386.286 2.980 20 0 GFADRO CC(C)C[C@H]1CN(C)CCN1C(=O)c1nc(C2CC2)ncc1Br ZINC000886602738 663114477 /nfs/dbraw/zinc/11/44/77/663114477.db2.gz YCULEUCPMAKSJA-ZDUSSCGKSA-N 1 0 381.318 2.919 20 0 GFADRO CC(C)C[C@@H]1CN(C)CCN1C(=O)c1nc(C2CC2)ncc1Br ZINC000886602737 663114529 /nfs/dbraw/zinc/11/45/29/663114529.db2.gz YCULEUCPMAKSJA-CYBMUJFWSA-N 1 0 381.318 2.919 20 0 GFADRO O[C@@H](COc1ccc(Br)cc1)C[N@@H+]1CCC[C@@H](c2ncccn2)C1 ZINC000886672336 663115456 /nfs/dbraw/zinc/11/54/56/663115456.db2.gz MOQNJCDSUPVYTP-GDBMZVCRSA-N 1 0 392.297 2.858 20 0 GFADRO C[C@@H]([NH2+]Cc1nnc2c(=O)[nH]ccn12)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000886703612 663115933 /nfs/dbraw/zinc/11/59/33/663115933.db2.gz YZNKOMNPBRGEBN-ZJUUUORDSA-N 1 0 382.251 2.670 20 0 GFADRO OC[C@]1(C(F)(F)F)CC[N@H+](C[C@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000886793830 663118824 /nfs/dbraw/zinc/11/88/24/663118824.db2.gz UXDDEOHPMUDMKO-FZMZJTMJSA-N 1 0 388.213 2.980 20 0 GFADRO Cc1cc(Br)ccc1CS(=O)(=O)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000886882095 663123330 /nfs/dbraw/zinc/12/33/30/663123330.db2.gz DPBKWTCZAIFJPJ-OLZOCXBDSA-N 1 0 375.332 2.565 20 0 GFADRO Cc1cc(Br)ccc1CS(=O)(=O)N[C@@H](C)C1CC[NH2+]CC1 ZINC000886889554 663123878 /nfs/dbraw/zinc/12/38/78/663123878.db2.gz ZFMQYCAIDKXXDE-LBPRGKRZSA-N 1 0 375.332 2.565 20 0 GFADRO COc1cccc(OC)c1S(=O)(=O)N(CC[NH3+])Cc1cccc(Cl)c1 ZINC000886894577 663123882 /nfs/dbraw/zinc/12/38/82/663123882.db2.gz XXTXBJFICYLOIW-UHFFFAOYSA-N 1 0 384.885 2.507 20 0 GFADRO COC[C@H]([NH2+]C[C@@H](O)COc1ccc(Cl)cc1Cl)[C@@H]1CCCOC1 ZINC000886905932 663124324 /nfs/dbraw/zinc/12/43/24/663124324.db2.gz OSJTUNWHILWDIC-XPKDYRNWSA-N 1 0 378.296 2.764 20 0 GFADRO COC[C@H]([NH2+]C[C@H](O)COc1cc(Cl)ccc1Cl)[C@@H]1CCCOC1 ZINC000886906420 663124418 /nfs/dbraw/zinc/12/44/18/663124418.db2.gz WXKFHGDBJKVUON-INWMFGNUSA-N 1 0 378.296 2.764 20 0 GFADRO CCN(C(=O)C(=O)Nc1cc(Cl)c(Br)cc1C)[C@H]1CC[NH2+]C1 ZINC000887007241 663128463 /nfs/dbraw/zinc/12/84/63/663128463.db2.gz GWBYVQDWUNROCG-JTQLQIEISA-N 1 0 388.693 2.560 20 0 GFADRO Cc1sc(C[C@@H](C)n2cc(Cl)cn2)nc1-c1cn([C@H]2CC[NH2+]C2)nn1 ZINC000887446722 663146749 /nfs/dbraw/zinc/14/67/49/663146749.db2.gz IWBREEQCNDSFQY-MFKMUULPSA-N 1 0 377.905 2.898 20 0 GFADRO Cn1cc(C(=O)N2C[C@@H]3CCC[N@@H+]3Cc3ccccc32)c(Br)n1 ZINC000888283698 663185881 /nfs/dbraw/zinc/18/58/81/663185881.db2.gz XYRZAKGEQOXLPO-ZDUSSCGKSA-N 1 0 375.270 2.807 20 0 GFADRO Cn1cc(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)c(Br)n1 ZINC000888991576 663228737 /nfs/dbraw/zinc/22/87/37/663228737.db2.gz HFWRAJWOCQCLIY-AWEZNQCLSA-N 1 0 377.286 2.577 20 0 GFADRO CSc1ccc([C@H](CNC(=O)N[C@H](CCO)C(F)(F)F)[NH+](C)C)cc1 ZINC000889110431 663232643 /nfs/dbraw/zinc/23/26/43/663232643.db2.gz VUYUEMXETIQEJU-UONOGXRCSA-N 1 0 379.448 2.624 20 0 GFADRO Cc1c(Br)cc(F)cc1C(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000889739718 663261564 /nfs/dbraw/zinc/26/15/64/663261564.db2.gz NMNFVLDXQRRQDZ-CVEARBPZSA-N 1 0 385.277 2.568 20 0 GFADRO Cc1cc(C)c(Br)c(C(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)c1 ZINC000889760621 663264451 /nfs/dbraw/zinc/26/44/51/663264451.db2.gz HCYLOZBIGHDLDT-HZPDHXFCSA-N 1 0 381.314 2.737 20 0 GFADRO O=C(c1c[nH]c2cccc(Br)c12)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000889764913 663264969 /nfs/dbraw/zinc/26/49/69/663264969.db2.gz UOGDCVJWCKEUSC-CVEARBPZSA-N 1 0 392.297 2.602 20 0 GFADRO C[C@H](CNC(=O)C(=O)Nc1cc(Br)c2ccccc2c1)[NH+](C)C ZINC000889805289 663268073 /nfs/dbraw/zinc/26/80/73/663268073.db2.gz LRNPORNNBIUTMC-LLVKDONJSA-N 1 0 378.270 2.607 20 0 GFADRO C[C@](O)(C(=O)N1CCC([NH2+]C2CCC2)CC1)c1ccc(F)c(Br)c1 ZINC000889815978 663269589 /nfs/dbraw/zinc/26/95/89/663269589.db2.gz FPPHYFMAIFRPCG-GOSISDBHSA-N 1 0 399.304 2.929 20 0 GFADRO O=C(COCCc1ccc(Br)cc1)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000890050103 663282434 /nfs/dbraw/zinc/28/24/34/663282434.db2.gz QTZLCUXZXHBPLF-SJORKVTESA-N 1 0 381.314 2.751 20 0 GFADRO Cn1cc(C(=O)Nc2cccc3c2OCC[C@H]3[NH+](C)C)c(Br)n1 ZINC000890301828 663294657 /nfs/dbraw/zinc/29/46/57/663294657.db2.gz SYTWPXTXNUFITG-CYBMUJFWSA-N 1 0 379.258 2.820 20 0 GFADRO C[NH+](C)CCCC(C)(C)NC(=O)[C@H]1Cc2ccc(Br)cc2C(=O)O1 ZINC000891311846 663334803 /nfs/dbraw/zinc/33/48/03/663334803.db2.gz LTKJDZSVSHRLJQ-OAHLLOKOSA-N 1 0 397.313 2.767 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)NCc2csc(Br)c2)C[C@H]1C(F)(F)F ZINC000891372645 663337655 /nfs/dbraw/zinc/33/76/55/663337655.db2.gz YDHVERQOJBYVFV-RKDXNWHRSA-N 1 0 386.237 2.789 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)N[C@H]2CCOc3c(Cl)cccc32)C[C@H]1C(F)(F)F ZINC000891417742 663339128 /nfs/dbraw/zinc/33/91/28/663339128.db2.gz LUTUTYURIJIGRM-XWIASGKRSA-N 1 0 377.794 2.942 20 0 GFADRO C[C@H](Cc1cccc(Br)c1)NC(=O)NC[C@H]1C[NH2+]CCC1(F)F ZINC000891438441 663339604 /nfs/dbraw/zinc/33/96/04/663339604.db2.gz SDZLXHWCYMVXRH-DGCLKSJQSA-N 1 0 390.272 2.924 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)NCc2ccccc2Br)C[C@H]1C(F)(F)F ZINC000891456734 663340041 /nfs/dbraw/zinc/34/00/41/663340041.db2.gz SUVYITLVJRDKLB-GHMZBOCLSA-N 1 0 380.208 2.728 20 0 GFADRO CCN(C(=O)NCc1cc(Br)ccc1OC(F)F)[C@H]1CC[NH2+]C1 ZINC000891474233 663340381 /nfs/dbraw/zinc/34/03/81/663340381.db2.gz TYPUXSSCSQZQKU-LBPRGKRZSA-N 1 0 392.244 2.944 20 0 GFADRO Brc1cnc(N2CC[NH+](C[C@H]3CCCO3)CC2)c2ncccc12 ZINC000891508921 663341941 /nfs/dbraw/zinc/34/19/41/663341941.db2.gz IONXZOYYRWOTCD-CYBMUJFWSA-N 1 0 377.286 2.693 20 0 GFADRO Oc1cc(Br)cnc1C[N@@H+]1CCC[C@H](c2nnc3ccccn32)C1 ZINC000891531461 663342579 /nfs/dbraw/zinc/34/25/79/663342579.db2.gz JCOBGQHKOBQVPC-LBPRGKRZSA-N 1 0 388.269 2.972 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)NCCc2ccc(Br)cc2)C[C@@H]1C(F)(F)F ZINC000891568046 663344136 /nfs/dbraw/zinc/34/41/36/663344136.db2.gz IHEQZNYWOPWBRI-YPMHNXCESA-N 1 0 394.235 2.770 20 0 GFADRO COc1ccc([C@H](C)NC(=O)N2CC[C@@H]3C[N@H+](C)C[C@@H]32)cc1Br ZINC000891640058 663346265 /nfs/dbraw/zinc/34/62/65/663346265.db2.gz YRADPSKGBOKZRV-LNSITVRQSA-N 1 0 382.302 2.864 20 0 GFADRO C[C@H](Cc1ccccc1Br)NC(=O)NC[C@H]1C[NH2+]CCC1(F)F ZINC000891675624 663346851 /nfs/dbraw/zinc/34/68/51/663346851.db2.gz AGMROOJIMFMSRK-DGCLKSJQSA-N 1 0 390.272 2.924 20 0 GFADRO O=C(NC[C@H]1C[NH2+]CCC1(F)F)N[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000891873438 663353831 /nfs/dbraw/zinc/35/38/31/663353831.db2.gz ZPLBIULLAKHQIC-KWCYVHTRSA-N 1 0 388.256 2.849 20 0 GFADRO CCOC(=O)c1ncc(Br)c(NC2CC[NH+](C(C)(C)C)CC2)n1 ZINC000891908465 663355129 /nfs/dbraw/zinc/35/51/29/663355129.db2.gz RTVWSJRVVBLWLL-UHFFFAOYSA-N 1 0 385.306 2.513 20 0 GFADRO CC(C)([NH3+])CCNC(=O)NCc1c(Br)cncc1Br ZINC000891928611 663355794 /nfs/dbraw/zinc/35/57/94/663355794.db2.gz ATVVLSDTDVSYEL-UHFFFAOYSA-N 1 0 394.111 2.533 20 0 GFADRO COc1ccc(Br)c(CNC(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3C)c1 ZINC000892138141 663363063 /nfs/dbraw/zinc/36/30/63/663363063.db2.gz BOSFMTMFQCCNLP-HZPDHXFCSA-N 1 0 382.302 2.836 20 0 GFADRO C[NH+](C)[C@H]1CCCN(c2ncnc3c2c(Br)nn3C(C)(C)C)C1 ZINC000892288100 663368399 /nfs/dbraw/zinc/36/83/99/663368399.db2.gz GFJXEHZFUYJBDS-NSHDSACASA-N 1 0 381.322 2.874 20 0 GFADRO Oc1cc(Br)cnc1C[NH2+]C[C@H](c1cccs1)N1CCOCC1 ZINC000892433846 663373582 /nfs/dbraw/zinc/37/35/82/663373582.db2.gz CVZAZVNIJOZZGT-CQSZACIVSA-N 1 0 398.326 2.774 20 0 GFADRO [NH3+]CC12CCC(CC1)N2C(=O)N[C@@H](CCO)c1ccccc1Br ZINC000892463425 663374698 /nfs/dbraw/zinc/37/46/98/663374698.db2.gz FNRPWAOWTXAILO-VXKCQOAXSA-N 1 0 382.302 2.538 20 0 GFADRO CS(=O)(=O)N1CCC([NH2+]Cc2c(Br)ccc(Cl)c2F)CC1 ZINC000892531447 663376673 /nfs/dbraw/zinc/37/66/73/663376673.db2.gz UVFRTZRQCAFPNS-UHFFFAOYSA-N 1 0 399.713 2.755 20 0 GFADRO COc1cc(C[NH2+][C@H](C)[C@H]2CCS(=O)(=O)C2)ccc1OCC(F)(F)F ZINC000892541504 663376737 /nfs/dbraw/zinc/37/67/37/663376737.db2.gz BGLLQQWWPVGYIR-YPMHNXCESA-N 1 0 381.416 2.549 20 0 GFADRO C[N@@H+]1CCC[C@@H](N2CCN(c3nc4cc(Br)ccc4o3)CC2)C1 ZINC000892559778 663377316 /nfs/dbraw/zinc/37/73/16/663377316.db2.gz AIORDQAWYBYWLM-CQSZACIVSA-N 1 0 379.302 2.807 20 0 GFADRO NC(=O)C1(C[NH2+]Cc2c(Br)ccc(Cl)c2F)CCOCC1 ZINC000892565779 663377491 /nfs/dbraw/zinc/37/74/91/663377491.db2.gz JKFDMSQGPNKMIU-UHFFFAOYSA-N 1 0 379.657 2.613 20 0 GFADRO O=C(NCc1ccc(Br)cn1)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000892616704 663378818 /nfs/dbraw/zinc/37/88/18/663378818.db2.gz QBLGVGAQPRTHJL-CQSZACIVSA-N 1 0 381.318 2.765 20 0 GFADRO C[C@]1(NC(=O)c2cccc(F)c2I)C[NH+]2CCC1CC2 ZINC000892777053 663384412 /nfs/dbraw/zinc/38/44/12/663384412.db2.gz QXEIXGQVBZTYPT-HNNXBMFYSA-N 1 0 388.224 2.644 20 0 GFADRO C[C@]1(NC(=O)c2cc(=O)[nH]c3ccc(Br)cc32)C[NH+]2CCC1CC2 ZINC000892781950 663384660 /nfs/dbraw/zinc/38/46/60/663384660.db2.gz SDGVVBXRFXJRNF-SFHVURJKSA-N 1 0 390.281 2.917 20 0 GFADRO CN(Cc1ccc(Br)cc1)C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000892786732 663384762 /nfs/dbraw/zinc/38/47/62/663384762.db2.gz WCZPBHUCFHXBRS-INIZCTEOSA-N 1 0 396.329 2.749 20 0 GFADRO CC(C)([NH3+])CCNC(=O)N1CCO[C@H](c2ccc(F)c(Br)c2)C1 ZINC000892855808 663387018 /nfs/dbraw/zinc/38/70/18/663387018.db2.gz VTMRUNGBYDJANB-AWEZNQCLSA-N 1 0 388.281 2.799 20 0 GFADRO [NH3+]Cc1nc2c(s1)CCN(C(=O)N1CCc3c(Cl)cc(F)cc3C1)C2 ZINC000892880019 663388112 /nfs/dbraw/zinc/38/81/12/663388112.db2.gz XSAAMTYWHRMRLM-UHFFFAOYSA-N 1 0 380.876 2.931 20 0 GFADRO C[C@H]([NH2+]C[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1)[C@H]1CCS(=O)(=O)C1 ZINC000893274285 663404876 /nfs/dbraw/zinc/40/48/76/663404876.db2.gz NQLGOEUEVCMWAP-ADOMEBDSSA-N 1 0 388.936 2.885 20 0 GFADRO [O-]c1cc(Br)cnc1C[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000893305722 663406141 /nfs/dbraw/zinc/40/61/41/663406141.db2.gz UIFBBVQRQDORNV-UHFFFAOYSA-N 1 0 377.286 2.951 20 0 GFADRO CC(C)(CS(C)(=O)=O)[NH2+]Cc1cc2c(cc(F)cc2Br)[nH]1 ZINC000893598769 663416550 /nfs/dbraw/zinc/41/65/50/663416550.db2.gz FWYKCUFCVVLQLK-UHFFFAOYSA-N 1 0 377.279 2.982 20 0 GFADRO CC(C)[NH2+][C@@H]1CCCN(C(=O)c2cc3cc(Br)cnc3n2C)C1 ZINC000893801869 663425527 /nfs/dbraw/zinc/42/55/27/663425527.db2.gz WMLLVEFMMGROHV-CQSZACIVSA-N 1 0 379.302 2.938 20 0 GFADRO CCOC(=O)c1ncc(Br)c(N2CC[N@@H+](C3CCC3)C[C@H](C)C2)n1 ZINC000893960196 663433698 /nfs/dbraw/zinc/43/36/98/663433698.db2.gz RGGAXDLUTBUXMQ-LBPRGKRZSA-N 1 0 397.317 2.726 20 0 GFADRO C[C@@H]([NH2+]Cc1cnn(-c2ccc(Br)cc2)c1)[C@H]1CCS(=O)(=O)C1 ZINC000894070180 663440709 /nfs/dbraw/zinc/44/07/09/663440709.db2.gz JBAGZNXADSOZNR-OCCSQVGLSA-N 1 0 398.326 2.548 20 0 GFADRO CC[C@H](CNCc1nc(Br)nn1C)[N@@H+]1CCc2ccccc2C1 ZINC000894166515 663446636 /nfs/dbraw/zinc/44/66/36/663446636.db2.gz YCJNWHLKAVEZPE-OAHLLOKOSA-N 1 0 378.318 2.504 20 0 GFADRO Cn1nc(Br)nc1C[NH2+]CCc1ccc(OC(F)(F)F)cc1 ZINC000894187850 663447367 /nfs/dbraw/zinc/44/73/67/663447367.db2.gz UUMMREDJECZFAD-UHFFFAOYSA-N 1 0 379.180 2.809 20 0 GFADRO Cn1nc(Br)nc1CNC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000894288826 663452647 /nfs/dbraw/zinc/45/26/47/663452647.db2.gz XRJKCYORHVALGU-SMDDNHRTSA-N 1 0 384.347 2.812 20 0 GFADRO COC[C@H](Cc1ccccc1)[NH2+]Cc1sc(N2CCOCC2)nc1Cl ZINC000894321388 663454413 /nfs/dbraw/zinc/45/44/13/663454413.db2.gz ZPFBJOQVLHOOII-HNNXBMFYSA-N 1 0 381.929 2.980 20 0 GFADRO Cn1cc(C[NH2+][C@H]2CCOC3(CCCC3)C2)c(I)n1 ZINC000894331592 663454903 /nfs/dbraw/zinc/45/49/03/663454903.db2.gz HEIZEQCSABANHF-LBPRGKRZSA-N 1 0 375.254 2.606 20 0 GFADRO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NCc1nc(Br)nn1C ZINC000894327007 663455037 /nfs/dbraw/zinc/45/50/37/663455037.db2.gz RXLSBILIKGBZCN-ZIAGYGMSSA-N 1 0 392.345 2.824 20 0 GFADRO CC[C@@H](CNS(C)(=O)=O)[NH2+]Cc1sccc1NC(=O)OC(C)(C)C ZINC000894696829 663476705 /nfs/dbraw/zinc/47/67/05/663476705.db2.gz ZWAZVKXRNOYKPK-NSHDSACASA-N 1 0 377.532 2.513 20 0 GFADRO OC1CCN(CC[NH2+]Cc2cc(Br)ccc2Br)CC1 ZINC000894758514 663480124 /nfs/dbraw/zinc/48/01/24/663480124.db2.gz LZCWSULPRDNAIM-UHFFFAOYSA-N 1 0 392.135 2.758 20 0 GFADRO C[C@H](NCc1nc(Br)nn1C)c1ccc(-n2cccn2)c(F)c1 ZINC000894860635 663485403 /nfs/dbraw/zinc/48/54/03/663485403.db2.gz RALBLVJVUGLGLP-JTQLQIEISA-N 1 0 379.237 2.753 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+][C@H]1C(=O)NCC1(C)C ZINC000895316818 663507825 /nfs/dbraw/zinc/50/78/25/663507825.db2.gz RLGQHBKQJWJRPX-HNNXBMFYSA-N 1 0 377.286 2.557 20 0 GFADRO NC(=O)CC1(C[NH2+]Cc2sc(N3CCOCC3)nc2Cl)CCCCC1 ZINC000895340342 663509175 /nfs/dbraw/zinc/50/91/75/663509175.db2.gz PGJOVFIIIDPBDV-UHFFFAOYSA-N 1 0 386.949 2.549 20 0 GFADRO COc1cc(C[NH2+]CC2CSC2)cc(I)c1OC ZINC000895422836 663513504 /nfs/dbraw/zinc/51/35/04/663513504.db2.gz PVFOUXWBWGMZDT-UHFFFAOYSA-N 1 0 379.263 2.761 20 0 GFADRO Cn1cc(C(=O)NCc2ccccc2C[NH+]2CCCC2)c(Br)n1 ZINC000895494702 663517285 /nfs/dbraw/zinc/51/72/85/663517285.db2.gz IQBDNTLAXYCCRH-UHFFFAOYSA-N 1 0 377.286 2.708 20 0 GFADRO Cn1cc(C(=O)N2CCC[N@H+](Cc3ccccc3)CC2)c(Br)n1 ZINC000895527487 663517951 /nfs/dbraw/zinc/51/79/51/663517951.db2.gz ZYVGEDKSFNEIEC-UHFFFAOYSA-N 1 0 377.286 2.531 20 0 GFADRO NC(=O)C1([NH+]2CCCCC2)CCN(Cc2cc(Cl)cc(Cl)c2N)CC1 ZINC000895553039 663518738 /nfs/dbraw/zinc/51/87/38/663518738.db2.gz VYHHKDKIRMSAGK-UHFFFAOYSA-N 1 0 385.339 2.881 20 0 GFADRO O=C(COCCc1ccc(Br)cc1)NC1CC[NH+](C2CC2)CC1 ZINC000895558605 663518981 /nfs/dbraw/zinc/51/89/81/663518981.db2.gz BAMKSPMOSXITFK-UHFFFAOYSA-N 1 0 381.314 2.751 20 0 GFADRO Nc1nc(N2CCC[C@H]2c2ncc(Br)cn2)c2c([nH+]1)CCCC2 ZINC000895711980 663524778 /nfs/dbraw/zinc/52/47/78/663524778.db2.gz WVQFUMLAFBVVPX-ZDUSSCGKSA-N 1 0 375.274 2.832 20 0 GFADRO C[C@@H]1[C@H](C)OC[C@]12CC[C@H](C[NH2+]Cc1cnn3cc(Br)cnc13)O2 ZINC000895820341 663528621 /nfs/dbraw/zinc/52/86/21/663528621.db2.gz NTDGFPBCAWEQQE-DJZPMSPPSA-N 1 0 395.301 2.554 20 0 GFADRO CC[NH+](CC)CCC[C@H](C)NC(=O)c1c(C)[nH]nc1I ZINC000895813161 663528628 /nfs/dbraw/zinc/52/86/28/663528628.db2.gz FBNZZUBLLJBOLX-JTQLQIEISA-N 1 0 392.285 2.563 20 0 GFADRO COC(=O)C[C@@H](NC(=O)[C@@]12CC[N@H+](C1)CCC2)c1cccc(Br)c1 ZINC000895854175 663530349 /nfs/dbraw/zinc/53/03/49/663530349.db2.gz KNJDPKYKPKWDOC-QAPCUYQASA-N 1 0 395.297 2.655 20 0 GFADRO Cn1cc(C(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c(Br)n1 ZINC000895940427 663534256 /nfs/dbraw/zinc/53/42/56/663534256.db2.gz NUUPEFNMVVRXRS-HNNXBMFYSA-N 1 0 391.313 2.825 20 0 GFADRO COc1cc(CNC(=O)[C@@H]2CC[N@@H+]2C(C)(C)C)cc(Br)c1OC ZINC000896028092 663537973 /nfs/dbraw/zinc/53/79/73/663537973.db2.gz QZYHNPLEEXTPRA-ZDUSSCGKSA-N 1 0 385.302 2.955 20 0 GFADRO O=C(N[C@@H]1CCc2c1cccc2Br)C1C[NH+](C2CCOCC2)C1 ZINC000896137546 663542357 /nfs/dbraw/zinc/54/23/57/663542357.db2.gz GDIXOURJULDQNP-QGZVFWFLSA-N 1 0 379.298 2.663 20 0 GFADRO CCCSC[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O ZINC000896202869 663544845 /nfs/dbraw/zinc/54/48/45/663544845.db2.gz MVZYNWBBZQMJEQ-HUUCEWRRSA-N 1 0 394.603 2.532 20 0 GFADRO C[NH+]1CCC(N2CC[C@H](NC(=O)c3cc4c(cncc4Cl)s3)C2)CC1 ZINC000896325382 663551240 /nfs/dbraw/zinc/55/12/40/663551240.db2.gz PDEXXPVBATXKGF-LBPRGKRZSA-N 1 0 378.929 2.848 20 0 GFADRO C[C@]1(Br)C[C@@H]1C[NH+]1CCC2(CC1)CNC(=O)c1ccccc1O2 ZINC000896445254 663557757 /nfs/dbraw/zinc/55/77/57/663557757.db2.gz UCNCOXHPYRTEIQ-DYVFJYSZSA-N 1 0 379.298 2.817 20 0 GFADRO O=C(COCCc1ccc(Br)cc1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000896519937 663560362 /nfs/dbraw/zinc/56/03/62/663560362.db2.gz AECQZGWPYRVGGS-KRWDZBQOSA-N 1 0 395.341 2.953 20 0 GFADRO C[C@H](NC(=O)c1ccc2ccc(Br)cc2c1)[C@@H]1C[N@H+](C)CCN1C ZINC000896525964 663560561 /nfs/dbraw/zinc/56/05/61/663560561.db2.gz CJLCNWWTOUHKMG-UGSOOPFHSA-N 1 0 390.325 2.966 20 0 GFADRO C[C@@H](NC(=O)c1cc(Br)ccc1C1CC1)[C@H]1C[N@H+](C)CCN1C ZINC000896531271 663561450 /nfs/dbraw/zinc/56/14/50/663561450.db2.gz ZAFRYCBIBDVBGY-SJKOYZFVSA-N 1 0 380.330 2.691 20 0 GFADRO C[C@@H](NC(=O)c1ccc2cc(Br)ccc2c1)[C@H]1C[N@H+](C)CCN1C ZINC000896552207 663563652 /nfs/dbraw/zinc/56/36/52/663563652.db2.gz JIEPUSOOSLCBIG-FZKQIMNGSA-N 1 0 390.325 2.966 20 0 GFADRO C[C@](O)(C[NH2+]Cc1cnn2cc(Br)cnc12)c1cccc(F)c1 ZINC000896566035 663564496 /nfs/dbraw/zinc/56/44/96/663564496.db2.gz ZQRLYCJYDAJIRK-INIZCTEOSA-N 1 0 379.233 2.628 20 0 GFADRO Cc1c2cc(Br)ccc2oc1C(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCN1C ZINC000896580712 663566131 /nfs/dbraw/zinc/56/61/31/663566131.db2.gz FACLBMXNYJLYQY-DOMZBBRYSA-N 1 0 394.313 2.868 20 0 GFADRO C[C@H](NC(=O)CCCOc1ccc(Cl)cc1Cl)[C@H]1C[N@H+](C)CCN1C ZINC000896579667 663566138 /nfs/dbraw/zinc/56/61/38/663566138.db2.gz IDEQEORBCVMUQQ-XJKSGUPXSA-N 1 0 388.339 2.903 20 0 GFADRO C[C@@H](NC(=O)c1ccc(C2SCCCS2)cc1)[C@@H]1C[N@H+](C)CCN1C ZINC000896582819 663566506 /nfs/dbraw/zinc/56/65/06/663566506.db2.gz VMWVXCPGISNPHB-PBHICJAKSA-N 1 0 379.595 2.919 20 0 GFADRO C[N@@H+]1C[C@@H]2CCN(C(=O)N[C@@H]3CCOc4ccc(Br)cc43)[C@@H]2C1 ZINC000896619011 663568378 /nfs/dbraw/zinc/56/83/78/663568378.db2.gz SKBBAFHKSQLPRW-NILFDRSVSA-N 1 0 380.286 2.618 20 0 GFADRO COc1cc(Br)cc(CNC(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3C)c1 ZINC000896649314 663569490 /nfs/dbraw/zinc/56/94/90/663569490.db2.gz HFZUBNOMDZJBSW-JKSUJKDBSA-N 1 0 382.302 2.836 20 0 GFADRO Cn1nc(C(F)(F)F)c(C[NH2+]CCc2ccccc2S(C)(=O)=O)c1Cl ZINC000896814704 663577977 /nfs/dbraw/zinc/57/79/77/663577977.db2.gz VXBDTLWYUIMOGV-UHFFFAOYSA-N 1 0 395.834 2.828 20 0 GFADRO CC(C)(C)OC(=O)N1CCC[C@]1(C[NH2+]C1CCS(=O)CC1)C(F)(F)F ZINC000896918157 663581771 /nfs/dbraw/zinc/58/17/71/663581771.db2.gz LFRDZEDYCLCJIO-GKEOXWTGSA-N 1 0 384.464 2.819 20 0 GFADRO O[C@@H]1CCOC2(CC[NH+](Cc3cn4ccc(Br)cc4n3)CC2)C1 ZINC000897257598 663597041 /nfs/dbraw/zinc/59/70/41/663597041.db2.gz AFVVBEOLAOYLLS-OAHLLOKOSA-N 1 0 380.286 2.603 20 0 GFADRO Cc1cc(Br)cn2c(C[NH+]3CCC4(CC3)C[C@H](O)CCO4)cnc12 ZINC000897260858 663597239 /nfs/dbraw/zinc/59/72/39/663597239.db2.gz PSSWRHXYZNSLQZ-MRXNPFEDSA-N 1 0 394.313 2.911 20 0 GFADRO Cn1nccc1[C@@H](O)C[NH2+]Cc1cc(Br)ccc1Br ZINC000897301266 663599696 /nfs/dbraw/zinc/59/96/96/663599696.db2.gz FDLNKHXGZLVLLU-ZDUSSCGKSA-N 1 0 389.091 2.768 20 0 GFADRO CCC1([NH+]2CCCCC2)CCN(C(=O)C(=O)NC[C@H]2CC2(Cl)Cl)CC1 ZINC000897352731 663602482 /nfs/dbraw/zinc/60/24/82/663602482.db2.gz SDVPZAVKIMDJJB-CQSZACIVSA-N 1 0 390.355 2.554 20 0 GFADRO OC[C@@]1(c2ccccc2)C[C@H]([NH2+]Cc2cnn3cc(Br)cnc23)C1 ZINC000897357481 663602624 /nfs/dbraw/zinc/60/26/24/663602624.db2.gz OSESUVUPZKAEGA-MAEOIBBWSA-N 1 0 387.281 2.674 20 0 GFADRO OCCOC1(C[NH2+][C@@H]2CCO[C@H](C(F)(F)F)C2)CCC(C(F)F)CC1 ZINC000897541481 663609647 /nfs/dbraw/zinc/60/96/47/663609647.db2.gz SKOZIBHFFLQOBZ-ICRTXTNUSA-N 1 0 375.378 2.889 20 0 GFADRO CC[N@H+](CCNC(=O)c1nn2c(c1Br)CCC2)CCC(F)(F)F ZINC000897561059 663610945 /nfs/dbraw/zinc/61/09/45/663610945.db2.gz WXOYYUXALWLOCX-UHFFFAOYSA-N 1 0 397.239 2.596 20 0 GFADRO O=C(NCC[C@H](O)c1ccc(Cl)c(Cl)c1)C1C[NH+](C2CCOCC2)C1 ZINC000897569739 663611571 /nfs/dbraw/zinc/61/15/71/663611571.db2.gz KHKRBSSWAKSLFJ-KRWDZBQOSA-N 1 0 387.307 2.644 20 0 GFADRO CCO[P@](C)(=O)CC[C@@H](C)[NH2+][C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1OC ZINC000897651642 663614785 /nfs/dbraw/zinc/61/47/85/663614785.db2.gz HZLVRJUYVMOONV-MYQIYSQDSA-N 1 0 378.450 2.933 20 0 GFADRO CC(C)(C)OC(=O)N1CC[C@@](O)(C[NH2+]Cc2c(Cl)cncc2Cl)C1 ZINC000897695394 663616136 /nfs/dbraw/zinc/61/61/36/663616136.db2.gz HGOIIESUCCRVNB-MRXNPFEDSA-N 1 0 376.284 2.850 20 0 GFADRO CO[C@H]1C[C@H]2C[C@H]([NH2+][C@H]3Cc4cc(Br)cnc4NC3=O)C[C@H]2C1 ZINC000897977364 663627815 /nfs/dbraw/zinc/62/78/15/663627815.db2.gz DYZJIOBYCHOXHQ-HLXQIYJLSA-N 1 0 380.286 2.501 20 0 GFADRO O=C1Nc2ncc(Br)cc2C[C@@H]1[NH2+]C[C@H]1CCOc2ccccc21 ZINC000897978057 663628398 /nfs/dbraw/zinc/62/83/98/663628398.db2.gz LGOFYZUCHATFKF-ABAIWWIYSA-N 1 0 388.265 2.863 20 0 GFADRO O=C1Nc2ncc(Br)cc2C[C@H]1[NH2+][C@H]1CCOC2(CCCC2)C1 ZINC000897978530 663628666 /nfs/dbraw/zinc/62/86/66/663628666.db2.gz RBBSMJYWVSINTO-UONOGXRCSA-N 1 0 380.286 2.789 20 0 GFADRO COc1ccc(Br)c(C[NH2+]C[C@@]2(c3cnn(C)c3)CCCO2)c1 ZINC000898059089 663631892 /nfs/dbraw/zinc/63/18/92/663631892.db2.gz XVBDKVKYKPLHAS-QGZVFWFLSA-N 1 0 380.286 2.987 20 0 GFADRO CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1[C@@H]([NH2+]Cc1ccc(S(C)(=O)=O)s1)C2 ZINC000898073880 663632386 /nfs/dbraw/zinc/63/23/86/663632386.db2.gz HLWGUFFOCORNLV-XBFCOCLRSA-N 1 0 386.539 2.782 20 0 GFADRO Cc1cc(Br)cc(C(=O)N2CCC(CO)([NH2+]CC3CC3)CC2)c1 ZINC000898114812 663634278 /nfs/dbraw/zinc/63/42/78/663634278.db2.gz MLQGMKHAUKGIOC-UHFFFAOYSA-N 1 0 381.314 2.724 20 0 GFADRO Cc1cc(C(=O)N2CCC(CO)([NH2+]CC3CC3)CC2)c(Br)s1 ZINC000898117384 663634574 /nfs/dbraw/zinc/63/45/74/663634574.db2.gz ABISOBGLAKUDEM-UHFFFAOYSA-N 1 0 387.343 2.786 20 0 GFADRO O=c1cc(N2CC[C@@H]([NH2+][C@H]3CCc4cccc(Br)c4C3)C2)nc[nH]1 ZINC000898152913 663636036 /nfs/dbraw/zinc/63/60/36/663636036.db2.gz PZEADOIDVHVMGD-UONOGXRCSA-N 1 0 389.297 2.671 20 0 GFADRO C[C@H](C[NH2+][C@@H]1CCN(c2cc(=O)[nH]cn2)C1)c1cccc(Br)c1 ZINC000898156902 663636196 /nfs/dbraw/zinc/63/61/96/663636196.db2.gz ZYIRNMDAZOOVAU-IUODEOHRSA-N 1 0 377.286 2.917 20 0 GFADRO C[C@H](Cc1ccc(Br)c(F)c1)[NH2+][C@H]1CCN(c2cc(=O)[nH]cn2)C1 ZINC000898156300 663636373 /nfs/dbraw/zinc/63/63/73/663636373.db2.gz CVYWGBVKQCVURY-YPMHNXCESA-N 1 0 395.276 2.883 20 0 GFADRO C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000898161172 663636687 /nfs/dbraw/zinc/63/66/87/663636687.db2.gz LOVFIERROBRUML-FRRDWIJNSA-N 1 0 384.307 2.522 20 0 GFADRO COC(=O)c1cc(C[NH2+][C@](C)(CO)c2cccc(Br)c2)cn1C ZINC000898168962 663636956 /nfs/dbraw/zinc/63/69/56/663636956.db2.gz VJCOIBUTAXHCHQ-QGZVFWFLSA-N 1 0 381.270 2.572 20 0 GFADRO Cn1c(=O)oc2cc(C[NH2+][C@](C)(CO)c3cccc(Br)c3)ccc21 ZINC000898168874 663637024 /nfs/dbraw/zinc/63/70/24/663637024.db2.gz SMGVQQUGKRWMTO-GOSISDBHSA-N 1 0 391.265 2.891 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+][C@H](c2ccncc2)C2CC2)cc1Br ZINC000898318582 663643452 /nfs/dbraw/zinc/64/34/52/663643452.db2.gz SHAADYUHIGBEIH-INIZCTEOSA-N 1 0 396.310 2.732 20 0 GFADRO O=c1[nH]ncc(N2CC[C@H]([NH2+]Cc3cc4c(ccnc4Cl)o3)C2)c1Cl ZINC000898371319 663645038 /nfs/dbraw/zinc/64/50/38/663645038.db2.gz FWMCTUXMVDDBRM-VIFPVBQESA-N 1 0 380.235 2.999 20 0 GFADRO O=c1[nH]ncc(N2CC[C@H]([NH2+]Cc3cnc(CC(F)(F)F)s3)C2)c1Cl ZINC000898372842 663645395 /nfs/dbraw/zinc/64/53/95/663645395.db2.gz YHFVFNLGXOCQNM-QMMMGPOBSA-N 1 0 393.822 2.765 20 0 GFADRO Cc1cc(C[NH2+][C@@H]2CCN(c3cn[nH]c(=O)c3Cl)C2)ncc1Br ZINC000898372821 663645409 /nfs/dbraw/zinc/64/54/09/663645409.db2.gz XMOMRHSWVLEBOF-SNVBAGLBSA-N 1 0 398.692 2.670 20 0 GFADRO O=C(NC1CC[NH+](C2CCOCC2)CC1)c1ccc(Br)c(F)c1 ZINC000898630987 663658372 /nfs/dbraw/zinc/65/83/72/663658372.db2.gz MWDKJEIZEIYIIQ-UHFFFAOYSA-N 1 0 385.277 2.961 20 0 GFADRO CC[NH+](CC)CCOc1cccc(NCc2ccc(S(N)(=O)=O)s2)c1 ZINC000898704198 663659953 /nfs/dbraw/zinc/65/99/53/663659953.db2.gz QYOSEZCSXBHBEL-UHFFFAOYSA-N 1 0 383.539 2.728 20 0 GFADRO Cn1cc(C[NH2+][C@@H]2CCc3ncc(Br)n3C2)c(-c2ccncc2)n1 ZINC000898723290 663660858 /nfs/dbraw/zinc/66/08/58/663660858.db2.gz DJDXCTQSPSULAA-CQSZACIVSA-N 1 0 387.285 2.546 20 0 GFADRO FC(F)(F)Cn1ccnc1C[NH2+][C@H]1CCc2ncc(Br)n2C1 ZINC000898723897 663661095 /nfs/dbraw/zinc/66/10/95/663661095.db2.gz JGCUTLWHLFSKTF-VIFPVBQESA-N 1 0 378.196 2.509 20 0 GFADRO Brc1cnc2n1C[C@@H]([NH2+]Cc1cccc3c1OCCCO3)CC2 ZINC000898724184 663661289 /nfs/dbraw/zinc/66/12/89/663661289.db2.gz LHFPPDFFWIDNKI-ZDUSSCGKSA-N 1 0 378.270 2.912 20 0 GFADRO CC[C@@H](C)[NH2+][C@@H](CNC(=O)C1(n2cc(Br)cn2)CC1)c1ccco1 ZINC000899080915 663674451 /nfs/dbraw/zinc/67/44/51/663674451.db2.gz ZGVHEYWYTLSSGO-OCCSQVGLSA-N 1 0 395.301 2.973 20 0 GFADRO CCC1([NH+]2CCC2)CCN(C(=O)c2cc(I)c[nH]2)CC1 ZINC000899561854 663693904 /nfs/dbraw/zinc/69/39/04/663693904.db2.gz KJFSFNQCRVTPCC-UHFFFAOYSA-N 1 0 387.265 2.710 20 0 GFADRO S=C(NCc1ccc(Br)cc1)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000899601169 663695114 /nfs/dbraw/zinc/69/51/14/663695114.db2.gz JNIITIPUFOGILJ-MRXNPFEDSA-N 1 0 398.370 2.667 20 0 GFADRO [NH3+]C1(c2noc(C[C@@H]3C(=O)Nc4ccc(Br)cc43)n2)CCCC1 ZINC000900005386 663706305 /nfs/dbraw/zinc/70/63/05/663706305.db2.gz HLDVADHDKVCUNO-NSHDSACASA-N 1 0 377.242 2.839 20 0 GFADRO CC[NH+]1CCN([C@H](C)CNC(=O)CCCc2ccc(Br)cc2)CC1 ZINC000900685877 663719810 /nfs/dbraw/zinc/71/98/10/663719810.db2.gz IZUOOXBNUYDHMV-MRXNPFEDSA-N 1 0 396.373 2.914 20 0 GFADRO COCCC[N@H+](C)CCNC(=O)Cc1c[nH]c2ccc(Br)cc12 ZINC000900836559 663722355 /nfs/dbraw/zinc/72/23/55/663722355.db2.gz PBQOFOVOYOBMIV-UHFFFAOYSA-N 1 0 382.302 2.557 20 0 GFADRO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)[C@H](O)c2cccc(Br)c2)C1 ZINC000900914926 663723820 /nfs/dbraw/zinc/72/38/20/663723820.db2.gz LVLJVOPBIDNHJI-RHSMWYFYSA-N 1 0 381.314 2.673 20 0 GFADRO C[C@@H]([NH2+][C@H]1CCc2ncc(Br)n2C1)C(=O)NC1CCC(C)CC1 ZINC000901726856 663743534 /nfs/dbraw/zinc/74/35/34/663743534.db2.gz BYMRPBMCXOZXKU-HHTDUIENSA-N 1 0 383.334 2.633 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCc2ncc(Br)n2C1)C(=O)NC1CCC(C)CC1 ZINC000901726854 663743557 /nfs/dbraw/zinc/74/35/57/663743557.db2.gz BYMRPBMCXOZXKU-GNRIBBGQSA-N 1 0 383.334 2.633 20 0 GFADRO Cc1ccccc1NC(=O)[C@H](C)[NH2+][C@H]1CCc2ncc(Br)n2C1 ZINC000901728141 663743787 /nfs/dbraw/zinc/74/37/87/663743787.db2.gz LFILTSOHJLCTHC-STQMWFEESA-N 1 0 377.286 2.886 20 0 GFADRO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@H]1N2C(=O)c1ncc(Br)cn1 ZINC000901770345 663745402 /nfs/dbraw/zinc/74/54/02/663745402.db2.gz UBEGHSURFFSNRM-GOEBONIOSA-N 1 0 387.281 2.996 20 0 GFADRO OCC[N@@H+]1CCC[C@@H]2[C@@H]1CCN2Cn1nc(-c2ccccc2)sc1=S ZINC000902645405 663765028 /nfs/dbraw/zinc/76/50/28/663765028.db2.gz UNWMKFMPJVZNLN-CVEARBPZSA-N 1 0 376.551 2.830 20 0 GFADRO C[C@H]([NH2+][C@H]1Cc2cc(Br)cnc2NC1=O)C1(Br)CC1 ZINC000903324660 663781910 /nfs/dbraw/zinc/78/19/10/663781910.db2.gz IKDSAGQUVQHCKU-XVKPBYJWSA-N 1 0 389.091 2.613 20 0 GFADRO CO[C@@]1(C[NH2+][C@H](C)c2cc(C)c(Br)s2)CCS(=O)(=O)C1 ZINC000903361665 663782512 /nfs/dbraw/zinc/78/25/12/663782512.db2.gz AHBQHWPKLHKDNE-ZWNOBZJWSA-N 1 0 382.345 2.673 20 0 GFADRO CO[C@]1(C[NH2+][C@@H]2CCCc3c4cccc(Cl)c4[nH]c32)CCS(=O)(=O)C1 ZINC000903363893 663782847 /nfs/dbraw/zinc/78/28/47/663782847.db2.gz SJBOAHUGLYEMND-QAPCUYQASA-N 1 0 382.913 2.992 20 0 GFADRO C[C@@H]([NH2+]CC1(O)CCC2(CC1)OCCO2)c1nc(Br)cs1 ZINC000903373427 663783445 /nfs/dbraw/zinc/78/34/45/663783445.db2.gz VUSZTGCOXGNUEW-SNVBAGLBSA-N 1 0 377.304 2.604 20 0 GFADRO C[C@@H]([NH2+]CCCn1ccc(=O)[nH]c1=O)c1cc(F)c(Br)cc1F ZINC000903428034 663784378 /nfs/dbraw/zinc/78/43/78/663784378.db2.gz BXRTWVVIVQJXDB-SECBINFHSA-N 1 0 388.212 2.731 20 0 GFADRO C[C@H]([NH2+][C@H]1CCc2ncc(Br)n2C1)c1cccc(-n2ccnn2)c1 ZINC000903478578 663785363 /nfs/dbraw/zinc/78/53/63/663785363.db2.gz HBZZNPJNJJCDIA-JSGCOSHPSA-N 1 0 387.285 2.892 20 0 GFADRO OC1(C(F)(F)F)CCC([NH2+][C@H]2CCc3ncc(Br)n3C2)CC1 ZINC000903480017 663785508 /nfs/dbraw/zinc/78/55/08/663785508.db2.gz UPCHMKADMUQVSU-QUNCOHTASA-N 1 0 382.224 2.786 20 0 GFADRO C[C@@H]([NH2+][C@@H]1CCc2ncc(Br)n2C1)c1cccc(-n2cnnc2)c1 ZINC000903480001 663785535 /nfs/dbraw/zinc/78/55/35/663785535.db2.gz NEJCKQWGSDEUFJ-TZMCWYRMSA-N 1 0 387.285 2.892 20 0 GFADRO CC1(C)C[NH2+][C@H]1C1CCN(S(=O)(=O)c2c[nH]c3ncc(Cl)cc23)CC1 ZINC000903510212 663786047 /nfs/dbraw/zinc/78/60/47/663786047.db2.gz GPVLOAXXQUMCNI-HNNXBMFYSA-N 1 0 382.917 2.615 20 0 GFADRO O=S(=O)(Cc1cccc(Cl)c1Br)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000903517869 663786764 /nfs/dbraw/zinc/78/67/64/663786764.db2.gz GUGJTXMWFAKILL-ZWNOBZJWSA-N 1 0 393.734 2.616 20 0 GFADRO C[C@@H]1CN(S(=O)(=O)c2c[nH]c3cc(Br)ccc32)CC[C@@H]1C[NH3+] ZINC000903519941 663786976 /nfs/dbraw/zinc/78/69/76/663786976.db2.gz CBAQZAGDSCOSJN-GHMZBOCLSA-N 1 0 386.315 2.536 20 0 GFADRO COC(=O)c1cc(S(=O)(=O)N2CCC(C(C)(C)C[NH3+])CC2)ccc1Cl ZINC000903520961 663787004 /nfs/dbraw/zinc/78/70/04/663787004.db2.gz BVNAEDCSDOZWMS-UHFFFAOYSA-N 1 0 388.917 2.512 20 0 GFADRO CCC1([NH3+])CCN(S(=O)(=O)Cc2cccc(F)c2Br)CC1 ZINC000903526792 663787348 /nfs/dbraw/zinc/78/73/48/663787348.db2.gz NSULPIBSJIGAKK-UHFFFAOYSA-N 1 0 379.295 2.621 20 0 GFADRO Cc1nc(Cl)ccc1S(=O)(=O)N1CCC(C[NH3+])(c2ccccc2)CC1 ZINC000903532732 663787505 /nfs/dbraw/zinc/78/75/05/663787505.db2.gz LTXMEWNQGUFQLT-UHFFFAOYSA-N 1 0 379.913 2.725 20 0 GFADRO COc1cc(Cl)c(C)cc1NC(=O)CN1CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000903535313 663787574 /nfs/dbraw/zinc/78/75/74/663787574.db2.gz XSZWYVHWUIUPCI-PWSUYJOCSA-N 1 0 379.810 2.807 20 0 GFADRO O=S(=O)(Cc1ccc(OC(F)(F)F)cc1)NC1(C2CC[NH2+]CC2)CC1 ZINC000903555674 663788592 /nfs/dbraw/zinc/78/85/92/663788592.db2.gz XAKBPRYLPWERCD-UHFFFAOYSA-N 1 0 378.416 2.537 20 0 GFADRO C[C@@H]1CN(S(=O)(=O)c2ccc(C(F)(F)C(F)(F)F)cc2)C[C@H]1CC[NH3+] ZINC000903558088 663788661 /nfs/dbraw/zinc/78/86/61/663788661.db2.gz UGUJJJAEKXWLFI-GHMZBOCLSA-N 1 0 386.386 2.946 20 0 GFADRO C[C@@H]1CN(S(=O)(=O)c2oc3ccccc3c2Br)C[C@H]1CC[NH3+] ZINC000903558047 663788665 /nfs/dbraw/zinc/78/86/65/663788665.db2.gz SYTAGERHLDBBGU-GHMZBOCLSA-N 1 0 387.299 2.801 20 0 GFADRO Cc1nc(-c2ccc(S(=O)(=O)NC3(C4CC[NH2+]CC4)CC3)s2)cs1 ZINC000903558032 663788679 /nfs/dbraw/zinc/78/86/79/663788679.db2.gz NATMGEFBVQWSMY-UHFFFAOYSA-N 1 0 383.564 2.991 20 0 GFADRO O=S(=O)(N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1sccc1Cl ZINC000903573696 663789468 /nfs/dbraw/zinc/78/94/68/663789468.db2.gz LDZCHEHZZKBEJH-CJNGLKHVSA-N 1 0 384.910 2.936 20 0 GFADRO O=S(=O)(N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccccc1Cl ZINC000903573870 663789534 /nfs/dbraw/zinc/78/95/34/663789534.db2.gz MGSFAQGQTLCSMK-CRAIPNDOSA-N 1 0 378.881 2.874 20 0 GFADRO Cc1cc(C)c(S(=O)(=O)N[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)s1 ZINC000903574493 663789667 /nfs/dbraw/zinc/78/96/67/663789667.db2.gz SDYXTFROGZVYEK-MAUKXSAKSA-N 1 0 378.519 2.899 20 0 GFADRO [NH3+]C[C@H]1Cc2cc(F)ccc2N(S(=O)(=O)c2cc(Cl)cnc2Cl)C1 ZINC000903587828 663790721 /nfs/dbraw/zinc/79/07/21/663790721.db2.gz BQZYKMRDWFBOOI-SECBINFHSA-N 1 0 390.267 2.854 20 0 GFADRO Clc1cnc(N2CCN(C[C@H]3CC4(CO3)CC[NH2+]CC4)CC2)c(Cl)c1 ZINC000903732043 663805553 /nfs/dbraw/zinc/80/55/53/663805553.db2.gz CEUYWOSLOWEUFT-OAHLLOKOSA-N 1 0 385.339 2.669 20 0 GFADRO CC(C)(C[NH3+])C1CCN([C@@H](C(N)=O)c2ccc(Br)cc2F)CC1 ZINC000903790552 663806988 /nfs/dbraw/zinc/80/69/88/663806988.db2.gz OAGBFUKMEQVBAS-OAHLLOKOSA-N 1 0 386.309 2.812 20 0 GFADRO COc1cc(Br)c(CN2CC[NH2+]CCC23CCOCC3)cc1OC ZINC000903813924 663807481 /nfs/dbraw/zinc/80/74/81/663807481.db2.gz CQIGJLGPYDLWNA-UHFFFAOYSA-N 1 0 399.329 2.811 20 0 GFADRO Cc1c(C[C@@H](C[NH3+])CN2CCc3ccc(F)c(Br)c3C2)cnn1C ZINC000903935077 663812789 /nfs/dbraw/zinc/81/27/89/663812789.db2.gz LXYXSANNYDJMEJ-ZDUSSCGKSA-N 1 0 395.320 2.806 20 0 GFADRO FC1(F)CC[NH2+]C[C@@H]1CNCc1cc(Br)c2c(c1)OCCCO2 ZINC000903955258 663813685 /nfs/dbraw/zinc/81/36/85/663813685.db2.gz NZIZBUCNKOTRBD-GFCCVEGCSA-N 1 0 391.256 2.945 20 0 GFADRO FC1(F)CC[NH2+]C[C@@H]1CNCc1cnn(-c2ccc(Br)cc2)c1 ZINC000903955110 663813688 /nfs/dbraw/zinc/81/36/88/663813688.db2.gz KXEWVCQQZSJRTE-CYBMUJFWSA-N 1 0 385.256 2.969 20 0 GFADRO Cc1cc(Br)cn2c(CN[C@H]3C[NH2+]CC4(CCOCC4)C3)cnc12 ZINC000903974259 663814301 /nfs/dbraw/zinc/81/43/01/663814301.db2.gz SQVKTCNXQMQDSI-OAHLLOKOSA-N 1 0 393.329 2.654 20 0 GFADRO [NH3+][C@@H]1CN(Cc2cc(Br)c3c(c2)OCCO3)C[C@H]1C(F)(F)F ZINC000903980541 663814868 /nfs/dbraw/zinc/81/48/68/663814868.db2.gz UMDAFPXRXOPGEP-MWLCHTKSSA-N 1 0 381.192 2.542 20 0 GFADRO C[NH2+]C[C@H](C)c1noc(-c2nnn(-c3ccccc3Br)c2C)n1 ZINC000904077612 663823106 /nfs/dbraw/zinc/82/31/06/663823106.db2.gz YLFTTWVGVGIDGB-VIFPVBQESA-N 1 0 377.246 2.711 20 0 GFADRO COC(=O)c1cc(Br)ccc1NC(=O)N1CC[C@H]2CC[C@@]21C[NH3+] ZINC000904389079 663831934 /nfs/dbraw/zinc/83/19/34/663831934.db2.gz GRJMOYPSBVQLAN-QLJPJBMISA-N 1 0 382.258 2.581 20 0 GFADRO Cc1nc(NC(=O)N2CC[NH2+]CCC23CCOCC3)ccc1Br ZINC000904420226 663833283 /nfs/dbraw/zinc/83/32/83/663833283.db2.gz HNYXKVHUOICDOI-UHFFFAOYSA-N 1 0 383.290 2.529 20 0 GFADRO CCOc1ccc(NC(=O)N2CC[NH2+]C[C@H]2CCOC)cc1Br ZINC000904429106 663833878 /nfs/dbraw/zinc/83/38/78/663833878.db2.gz WTSGSVLAGIVIHU-CYBMUJFWSA-N 1 0 386.290 2.690 20 0 GFADRO COC(=O)c1cccc(NC(=O)N2CCC[C@H]3CC[C@]32C[NH3+])c1Br ZINC000904449081 663834834 /nfs/dbraw/zinc/83/48/34/663834834.db2.gz FYUPBILCDLKXAA-GTNSWQLSSA-N 1 0 396.285 2.971 20 0 GFADRO O=C(NC[C@H]1CCCCC[NH2+]1)Nc1ccnn1-c1ccc(Br)cn1 ZINC000904458911 663835128 /nfs/dbraw/zinc/83/51/28/663835128.db2.gz KCFPPMMYMFKXLK-CYBMUJFWSA-N 1 0 393.289 2.684 20 0 GFADRO O=C(Nc1ccn(-c2ccc(Br)cc2)n1)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000904484358 663836078 /nfs/dbraw/zinc/83/60/78/663836078.db2.gz OWXUHGPVEZYMSU-KWCYVHTRSA-N 1 0 376.258 2.649 20 0 GFADRO COC[C@@H]1C[NH2+]CCN1C(=O)Nc1nc2c(cccc2Br)s1 ZINC000904485204 663836080 /nfs/dbraw/zinc/83/60/80/663836080.db2.gz RCFZBNOSPHTYDF-VIFPVBQESA-N 1 0 385.287 2.511 20 0 GFADRO [NH3+]C[C@@H](NC(=O)N1CCC(C(=O)c2ccccc2Cl)CC1)C(F)(F)F ZINC000904519757 663836642 /nfs/dbraw/zinc/83/66/42/663836642.db2.gz WIFZCMSEDNTQGV-CYBMUJFWSA-N 1 0 377.794 2.834 20 0 GFADRO Cn1c(Cl)cnc1-c1csc(NC(=O)N2CCC[C@@H]3CC[C@@]32C[NH3+])n1 ZINC000904521321 663836691 /nfs/dbraw/zinc/83/66/91/663836691.db2.gz NGZLPVDERMVTQM-QLJPJBMISA-N 1 0 380.905 2.932 20 0 GFADRO COCCOc1ccc(NC(=O)N2C[C@@H](C[NH3+])[C@H](C)C2)cc1Br ZINC000904549631 663837436 /nfs/dbraw/zinc/83/74/36/663837436.db2.gz VHPBCMXGNLLIBR-VXGBXAGGSA-N 1 0 386.290 2.533 20 0 GFADRO C[C@]1(c2nc(CS(=O)(=O)c3cc(Cl)ccc3Cl)no2)CCC[NH2+]1 ZINC000904652303 663839284 /nfs/dbraw/zinc/83/92/84/663839284.db2.gz PHKKIEOQZIKBPJ-CQSZACIVSA-N 1 0 376.265 2.949 20 0 GFADRO CSCC[C@H]([NH3+])Cc1nc(-c2cccc(I)c2)no1 ZINC000904663876 663839581 /nfs/dbraw/zinc/83/95/81/663839581.db2.gz BJPXIPOFLYDQCD-NSHDSACASA-N 1 0 389.262 2.964 20 0 GFADRO Cc1ccc(Cc2noc(-c3cc(Br)cn(CC[NH3+])c3=O)n2)s1 ZINC000904720708 663842061 /nfs/dbraw/zinc/84/20/61/663842061.db2.gz DJTLANWTFRBSAH-UHFFFAOYSA-N 1 0 395.282 2.580 20 0 GFADRO C[C@@H]([NH3+])C1(c2nc(-c3ccc(N(C)C)c(Br)c3)no2)CCOCC1 ZINC000904727341 663842433 /nfs/dbraw/zinc/84/24/33/663842433.db2.gz IHWGCKHUXUFTIO-LLVKDONJSA-N 1 0 395.301 2.961 20 0 GFADRO O[C@@H](C[NH2+]CCOc1ncc(C(F)(F)F)cc1Cl)CC1(O)CCCC1 ZINC000905131400 663854628 /nfs/dbraw/zinc/85/46/28/663854628.db2.gz FWBVWKFSSAYRNY-GFCCVEGCSA-N 1 0 382.810 2.778 20 0 GFADRO CC(C)(CNC(=O)c1cc(Br)cn(C2CC2)c1=O)[NH+]1CCCCC1 ZINC000905223117 663860415 /nfs/dbraw/zinc/86/04/15/663860415.db2.gz QYMPLXGMMXPVER-UHFFFAOYSA-N 1 0 396.329 2.940 20 0 GFADRO COCCOC1(C[NH2+]C[C@@H](O)c2ccc(Cl)c(Cl)c2)CCOCC1 ZINC000905271287 663863275 /nfs/dbraw/zinc/86/32/75/663863275.db2.gz AAQPOILWXQMDGL-MRXNPFEDSA-N 1 0 378.296 2.829 20 0 GFADRO O=C(NCCC[NH+]1CCCCC1)C(F)(F)c1ncccc1Br ZINC000905336570 663866211 /nfs/dbraw/zinc/86/62/11/663866211.db2.gz SXHIFLKEHQDEJP-UHFFFAOYSA-N 1 0 376.245 2.928 20 0 GFADRO C[C@H]1Cc2ccc(Br)cc2CN1S(=O)(=O)CC1CC[NH2+]CC1 ZINC000905342700 663866512 /nfs/dbraw/zinc/86/65/12/663866512.db2.gz KJEQOTJTRYWVLS-LBPRGKRZSA-N 1 0 387.343 2.525 20 0 GFADRO C[NH+]1CCC(NC(=O)c2c(Cl)ccc(I)c2F)CC1 ZINC000905346659 663866751 /nfs/dbraw/zinc/86/67/51/663866751.db2.gz FIMKWBAFUGAVBI-UHFFFAOYSA-N 1 0 396.631 2.908 20 0 GFADRO CC1(C)C[NH2+][C@H]1C1CCN(S(=O)(=O)c2ccc3onc(Cl)c3c2)CC1 ZINC000905356048 663867328 /nfs/dbraw/zinc/86/73/28/663867328.db2.gz KIGSPNWUIDMPBQ-HNNXBMFYSA-N 1 0 383.901 2.880 20 0 GFADRO CC1(C)C[NH2+][C@H]1C1CCN(S(=O)(=O)c2ccc(Cl)nc2Cl)CC1 ZINC000905359675 663867593 /nfs/dbraw/zinc/86/75/93/663867593.db2.gz NJJLHWPLXQLZKR-ZDUSSCGKSA-N 1 0 378.325 2.787 20 0 GFADRO O[C@H](CC[C@@H](O)c1ccccc1)C[NH2+]C[C@@H](O)c1cccc(Br)c1 ZINC000905370495 663867938 /nfs/dbraw/zinc/86/79/38/663867938.db2.gz FAZLGUQWMRDRKX-GUDVDZBRSA-N 1 0 394.309 2.947 20 0 GFADRO O[C@@H](C[NH2+]CCc1ccns1)COc1cc(F)cc(Br)c1 ZINC000905417578 663870540 /nfs/dbraw/zinc/87/05/40/663870540.db2.gz NRAWHRYEPYRHKX-LBPRGKRZSA-N 1 0 375.263 2.617 20 0 GFADRO O[C@@H](C[NH2+]C[C@@H](O)C(F)(F)C(F)(F)F)c1ccc(Br)cc1 ZINC000905446868 663871692 /nfs/dbraw/zinc/87/16/92/663871692.db2.gz LTKZMVGXSGGSBH-VHSXEESVSA-N 1 0 378.135 2.631 20 0 GFADRO O[C@H](C[NH2+]C[C@@H](O)c1cccc(Br)c1)C(F)(F)C(F)(F)F ZINC000905446896 663871987 /nfs/dbraw/zinc/87/19/87/663871987.db2.gz MFCVERFFPMNBAU-NXEZZACHSA-N 1 0 378.135 2.631 20 0 GFADRO CC(C)(C)n1cc(C[NH2+]C[C@H](O)c2ccc(Cl)c(Cl)c2)c(=O)[nH]c1=O ZINC000905531338 663876973 /nfs/dbraw/zinc/87/69/73/663876973.db2.gz XURUPXQHCLRNJR-AWEZNQCLSA-N 1 0 386.279 2.834 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S(=O)(=O)CC[NH2+]CC(C)(C)C1CC1 ZINC000905640290 663883217 /nfs/dbraw/zinc/88/32/17/663883217.db2.gz JZJNKYVRFTUZHG-UHFFFAOYSA-N 1 0 387.567 2.670 20 0 GFADRO COC(=O)[C@H]1C[C@@H]2C[C@H]([NH2+]C[C@H](O)COc3c(Cl)cccc3Cl)[C@@H]2C1 ZINC000905654867 663883954 /nfs/dbraw/zinc/88/39/54/663883954.db2.gz RVZZKFINGPMMDQ-OHHDELOUSA-N 1 0 388.291 2.910 20 0 GFADRO O[C@H](C[NH2+]CC[C@H](O)C1CC1)COc1ccc(Cl)cc1Br ZINC000905689898 663886383 /nfs/dbraw/zinc/88/63/83/663886383.db2.gz CLLUZAKJPZTPPL-OCCSQVGLSA-N 1 0 378.694 2.593 20 0 GFADRO O=C1[C@H]([NH2+][C@@H]2CCOc3ccc(Br)cc32)CCN1C1CCOCC1 ZINC000905855898 663897087 /nfs/dbraw/zinc/89/70/87/663897087.db2.gz MSLVHXZTQGAYGL-HZPDHXFCSA-N 1 0 395.297 2.642 20 0 GFADRO O[C@H](C[NH2+]C[C@@]1(N2CCOCC2)CCSC1)c1ccc(Cl)c(Cl)c1 ZINC000905917851 663900903 /nfs/dbraw/zinc/90/09/03/663900903.db2.gz CLTYTNOXACUMMK-SJORKVTESA-N 1 0 391.364 2.824 20 0 GFADRO C[NH+](C)C[C@H]1COC2(CCCC2)CN1C(=O)c1cnc(Br)s1 ZINC000906058076 663915819 /nfs/dbraw/zinc/91/58/19/663915819.db2.gz QYXAIDXSMYARAH-NSHDSACASA-N 1 0 388.331 2.621 20 0 GFADRO CC[S@@](C)(=O)=NS(=O)(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000906068949 663920757 /nfs/dbraw/zinc/92/07/57/663920757.db2.gz QMNROUSCADCXEV-HSZRJFAPSA-N 1 0 391.584 2.649 20 0 GFADRO C[NH+](C)Cc1ccc(NS(=O)(=O)N=S2(=O)CCCC2)cc1C(F)(F)F ZINC000906073250 663921723 /nfs/dbraw/zinc/92/17/23/663921723.db2.gz PPXVDAIRKIMQON-UHFFFAOYSA-N 1 0 399.460 2.686 20 0 GFADRO CC(=O)CCn1cc(CN[C@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)nn1 ZINC000906321620 663937795 /nfs/dbraw/zinc/93/77/95/663937795.db2.gz WGGGWDMCFQGHEO-QGZVFWFLSA-N 1 0 384.311 2.957 20 0 GFADRO CO[C@H](C(=O)Nc1ccn(CC[NH+](C)C)n1)c1ccc(Br)s1 ZINC000906463309 663950461 /nfs/dbraw/zinc/95/04/61/663950461.db2.gz FOFZDBOLUYMNCS-ZDUSSCGKSA-N 1 0 387.303 2.595 20 0 GFADRO O=C(c1cnnn1-c1cc(Cl)ccc1Cl)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000906521552 663955442 /nfs/dbraw/zinc/95/54/42/663955442.db2.gz BBUOBZOBVMJDDH-ZDUSSCGKSA-N 1 0 380.279 2.884 20 0 GFADRO CN(C(=O)C[C@@H](O)C(Cl)(Cl)Cl)c1ccc(OCC[NH+](C)C)cc1 ZINC000906647183 663962624 /nfs/dbraw/zinc/96/26/24/663962624.db2.gz OZSANXJDLSOQIZ-CYBMUJFWSA-N 1 0 383.703 2.711 20 0 GFADRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(F)(F)c1ncccc1Br ZINC000906713097 663966379 /nfs/dbraw/zinc/96/63/79/663966379.db2.gz YBAGJUKRQDTFDX-NSHDSACASA-N 1 0 376.245 2.736 20 0 GFADRO O=C(c1cc(Br)cn(C2CC2)c1=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000906775935 663969949 /nfs/dbraw/zinc/96/99/49/663969949.db2.gz YCOHODHJNISZSP-ZDUSSCGKSA-N 1 0 394.313 2.504 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2nscc2I)[C@@H](C)C1 ZINC000906789060 663970920 /nfs/dbraw/zinc/97/09/20/663970920.db2.gz FLISQJAZPIOADM-GXSJLCMTSA-N 1 0 393.294 2.550 20 0 GFADRO Cc1c(C(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)nnn1-c1ccccc1Br ZINC000906797944 663971788 /nfs/dbraw/zinc/97/17/88/663971788.db2.gz MOVXDFBANOQIMN-DGCLKSJQSA-N 1 0 392.301 2.551 20 0 GFADRO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2nscc2I)C1 ZINC000906840726 663975591 /nfs/dbraw/zinc/97/55/91/663975591.db2.gz SULFXMNMZVLMLW-SNVBAGLBSA-N 1 0 393.294 2.552 20 0 GFADRO Cc1ccc(C[NH+](C)C)cc1NC(=O)c1cn(C)nc1I ZINC000906907737 663981002 /nfs/dbraw/zinc/98/10/02/663981002.db2.gz RVWBFLMARLXDML-UHFFFAOYSA-N 1 0 398.248 2.647 20 0 GFADRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3cccn4ncc(Br)c34)CC[C@H]21 ZINC000907038091 663995355 /nfs/dbraw/zinc/99/53/55/663995355.db2.gz QQVJDNKUNKSMPF-SWLSCSKDSA-N 1 0 377.286 2.653 20 0 GFADRO CS[C@@H]1CN(C(=O)c2ccc(Cn3cc(Cl)cn3)s2)C[C@@H]1[NH+](C)C ZINC000907147036 664006771 /nfs/dbraw/zinc/00/67/71/664006771.db2.gz RMSSUSYMCQVFNY-DZGCQCFKSA-N 1 0 384.958 2.764 20 0 GFADRO CC[N@@H+]1C[C@@H](C)N(C(=O)c2cc(Br)cn(C3CC3)c2=O)C[C@H]1C ZINC000907174082 664009010 /nfs/dbraw/zinc/00/90/10/664009010.db2.gz FMZFCBWUUIASJN-VXGBXAGGSA-N 1 0 382.302 2.500 20 0 GFADRO O=C(NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1ccnc(Cl)c1Cl ZINC000907291066 664020062 /nfs/dbraw/zinc/02/00/62/664020062.db2.gz HSKKSUSXAGUZDS-CQSZACIVSA-N 1 0 380.275 2.885 20 0 GFADRO CCc1cc(C(=O)N[C@@H](C)CC[NH+]2CCN(C)CC2)ccc1Br ZINC000907452761 664035915 /nfs/dbraw/zinc/03/59/15/664035915.db2.gz QNBFNYVMUYPTPJ-AWEZNQCLSA-N 1 0 382.346 2.767 20 0 GFADRO O=C(C1CCC([NH+]2CCOCC2)CC1)N1CCSC[C@H]1c1nccs1 ZINC000907454248 664035947 /nfs/dbraw/zinc/03/59/47/664035947.db2.gz AMDYMKQHVCNNMA-GPANFISMSA-N 1 0 381.567 2.651 20 0 GFADRO C[NH+](C)[C@@H]1CCCN(C(=O)c2cnnn2-c2ccccc2Br)CC1 ZINC000907744911 664057995 /nfs/dbraw/zinc/05/79/95/664057995.db2.gz VMIFGHFHJDIUIC-CYBMUJFWSA-N 1 0 392.301 2.586 20 0 GFADRO C[NH+]1CCC2(CCN2S(=O)(=O)c2ccc(Br)c(Cl)c2)CC1 ZINC000907854966 664066120 /nfs/dbraw/zinc/06/61/20/664066120.db2.gz AHAXWVYJUIRDIF-UHFFFAOYSA-N 1 0 393.734 2.961 20 0 GFADRO Cc1cc(Br)c(CC(=O)N2C[C@H](N3CCOCC3)C[C@@H]2C)s1 ZINC000908147561 664087875 /nfs/dbraw/zinc/08/78/75/664087875.db2.gz XZPMGFSPNXTSDU-WCQYABFASA-N 1 0 387.343 2.683 20 0 GFADRO CC(C)(Cc1ccc(Br)cc1)C(=O)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000908203964 664091925 /nfs/dbraw/zinc/09/19/25/664091925.db2.gz SQCQOIOCDRQMHR-SJORKVTESA-N 1 0 395.341 2.685 20 0 GFADRO CC(C)[NH2+]C1(CO)CCN(C(=O)[C@@H](C)c2ccc(Br)s2)CC1 ZINC000908598888 664116343 /nfs/dbraw/zinc/11/63/43/664116343.db2.gz ZZTMLRBZSINYAG-LBPRGKRZSA-N 1 0 389.359 2.966 20 0 GFADRO CC(C)[NH2+]C1(CO)CCN(C(=O)[C@H](C)Oc2ccc(Br)cc2)CC1 ZINC000908604593 664117060 /nfs/dbraw/zinc/11/70/60/664117060.db2.gz MHRXOZCBIOKHIM-AWEZNQCLSA-N 1 0 399.329 2.568 20 0 GFADRO Cc1ccc(Br)cc1CC(=O)N1CCC(CO)([NH2+]C(C)C)CC1 ZINC000908605033 664117077 /nfs/dbraw/zinc/11/70/77/664117077.db2.gz CWYBKKZYIBBHCO-UHFFFAOYSA-N 1 0 383.330 2.652 20 0 GFADRO C[N@@H+]1CCC[C@](O)(CC(=O)N[C@@H]2CCc3c2ccc(F)c3Br)C1 ZINC000909047448 664142574 /nfs/dbraw/zinc/14/25/74/664142574.db2.gz GWSVOGLDCPYXLL-PBHICJAKSA-N 1 0 385.277 2.539 20 0 GFADRO O=C(Nc1cc(N2CCOCC2)ccc1Br)[C@@]12CC[N@H+](C1)CCC2 ZINC000909118047 664145397 /nfs/dbraw/zinc/14/53/97/664145397.db2.gz VTYZPFQKVODHBV-SFHVURJKSA-N 1 0 394.313 2.710 20 0 GFADRO Cc1cc(C[NH+](C)C)ccc1NC(=O)c1c(I)cnn1C ZINC000909604689 664164812 /nfs/dbraw/zinc/16/48/12/664164812.db2.gz ZDJPSCDBDVLTDG-UHFFFAOYSA-N 1 0 398.248 2.647 20 0 GFADRO CCC1([NH+]2CCC2)CCN(C(=O)C(=O)N(C)Cc2ccc(Cl)s2)CC1 ZINC000910540954 664214202 /nfs/dbraw/zinc/21/42/02/664214202.db2.gz UCLFCCHZNROOHV-UHFFFAOYSA-N 1 0 383.945 2.837 20 0 GFADRO C[C@@H](NC(=O)C(=O)NCC[C@@H]1C[NH2+]C[C@H]1C)c1cc(F)c(Cl)cc1Cl ZINC000910962274 664231998 /nfs/dbraw/zinc/23/19/98/664231998.db2.gz IUMCZXWUINZZFO-GMTAPVOTSA-N 1 0 390.286 2.672 20 0 GFADRO C[C@@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)C(=O)NCC[C@@H]1C[NH2+]C[C@H]1C ZINC000911394589 664244459 /nfs/dbraw/zinc/24/44/59/664244459.db2.gz CBUDGCIDMUHLQL-MBNYWOFBSA-N 1 0 386.323 2.875 20 0 GFADRO COc1ccccc1[C@H]([NH3+])CNC(=O)c1nn(C(C)C)cc1Br ZINC000911666082 664252103 /nfs/dbraw/zinc/25/21/03/664252103.db2.gz WGLNSCRJCGKEOW-CYBMUJFWSA-N 1 0 381.274 2.665 20 0 GFADRO C[C@@H](NC(=O)c1cnn(Cc2ccccc2)c1Br)[C@@H]1CCC[NH2+]C1 ZINC000911726881 664254281 /nfs/dbraw/zinc/25/42/81/664254281.db2.gz VUHUGQGWBIGKHJ-UKRRQHHQSA-N 1 0 391.313 2.812 20 0 GFADRO CC(C)[NH2+]CCCNC(=O)c1cc(Br)cnc1Br ZINC000911764816 664256057 /nfs/dbraw/zinc/25/60/57/664256057.db2.gz ZVZFTPQDCWYBSH-UHFFFAOYSA-N 1 0 379.096 2.725 20 0 GFADRO C[C@@](C[NH3+])(NC(=O)c1cnn(Cc2ccccc2)c1Br)C1CC1 ZINC000911803546 664256683 /nfs/dbraw/zinc/25/66/83/664256683.db2.gz SOWFQWISKCJFPV-KRWDZBQOSA-N 1 0 377.286 2.551 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)c2cnn(Cc3ccccc3)c2Br)C1 ZINC000911827169 664257503 /nfs/dbraw/zinc/25/75/03/664257503.db2.gz UIJODPDPZXHFLM-ZFWWWQNUSA-N 1 0 391.313 2.893 20 0 GFADRO CS(=O)(=O)Nc1ccc(C(=O)NCC[NH2+]C2CCCCCC2)c(Cl)c1 ZINC000911842311 664258383 /nfs/dbraw/zinc/25/83/83/664258383.db2.gz VDQNXSVNOVIFGO-UHFFFAOYSA-N 1 0 387.933 2.754 20 0 GFADRO CN(C(=O)C[C@H]1c2cccc(Br)c2NC1=O)C1CCC([NH3+])CC1 ZINC000911863710 664259678 /nfs/dbraw/zinc/25/96/78/664259678.db2.gz BREZAOUXYCIBRT-XIVSLSHWSA-N 1 0 380.286 2.603 20 0 GFADRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)c1cc(Br)c(Br)[nH]1 ZINC000911871833 664260259 /nfs/dbraw/zinc/26/02/59/664260259.db2.gz VJZFKDOKOXHCJB-VIFPVBQESA-N 1 0 381.112 2.985 20 0 GFADRO CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)OCC[NH+](CC)CC)c1 ZINC000912577509 664293590 /nfs/dbraw/zinc/29/35/90/664293590.db2.gz IPWFEMDIFYHPTO-UHFFFAOYSA-N 1 0 390.933 2.869 20 0 GFADRO Cc1onc(-c2ccc(Cl)cc2Cl)c1C(=O)N(C)CC[N@H+](C)CCO ZINC000912604543 664294676 /nfs/dbraw/zinc/29/46/76/664294676.db2.gz KZSJCFNNDWOEMW-UHFFFAOYSA-N 1 0 386.279 2.953 20 0 GFADRO C[C@H]1CCC[C@H](CC[NH+](C)C)N1C(=O)c1c(Br)nc2n1CCC2 ZINC000912647958 664295852 /nfs/dbraw/zinc/29/58/52/664295852.db2.gz CALSENMSTZMJLG-QWHCGFSZSA-N 1 0 383.334 2.927 20 0 GFADRO C[NH+](C)[C@H](CC(=O)Nc1n[nH]cc1I)c1ccccc1 ZINC000912887838 664308266 /nfs/dbraw/zinc/30/82/66/664308266.db2.gz MBMWLMKPLRCRMA-GFCCVEGCSA-N 1 0 384.221 2.646 20 0 GFADRO O=C(c1ccc(OC(F)F)c(Br)c1)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000912901092 664309419 /nfs/dbraw/zinc/30/94/19/664309419.db2.gz XZBXBXORWXKEDV-LLVKDONJSA-N 1 0 375.213 2.971 20 0 GFADRO O=C([C@H]1CCN(c2cc(Cl)ccc2Cl)C1=O)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000912918450 664310141 /nfs/dbraw/zinc/31/01/41/664310141.db2.gz FDAKZISGLKZWRE-ZIAGYGMSSA-N 1 0 382.291 2.653 20 0 GFADRO O=C(c1ccc(Cl)c(I)c1)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000912923695 664310686 /nfs/dbraw/zinc/31/06/86/664310686.db2.gz ZMIHRJFSQDYVJI-LLVKDONJSA-N 1 0 390.652 2.865 20 0 GFADRO C[C@@H]1C[C@H](c2ccc(Br)cc2)CN1C(=O)[C@@]1(C)C[C@H](O)C[N@@H+]1C ZINC000913173324 664327681 /nfs/dbraw/zinc/32/76/81/664327681.db2.gz AAQAPCGSBFMHMV-BSXOQXRQSA-N 1 0 381.314 2.609 20 0 GFADRO C[NH+]1C[C@@]2(C)CN(C(=O)c3ccc(C(F)(F)Br)nc3)C[C@]2(C)C1 ZINC000913274552 664330690 /nfs/dbraw/zinc/33/06/90/664330690.db2.gz NZUOEVCQBAZRPY-GJZGRUSLSA-N 1 0 388.256 2.940 20 0 GFADRO C[NH+]1C[C@]2(C)CN(C(=O)c3cccn4ncc(Br)c34)C[C@@]2(C)C1 ZINC000913275067 664330698 /nfs/dbraw/zinc/33/06/98/664330698.db2.gz RZQJITHWRIJVFH-IAGOWNOFSA-N 1 0 377.286 2.511 20 0 GFADRO O=C(NC12CC[NH+](CC1)C2)c1ccc(OC(F)(F)F)cc1Br ZINC000913638205 664347147 /nfs/dbraw/zinc/34/71/47/664347147.db2.gz YZADLBNXJGNHSI-UHFFFAOYSA-N 1 0 379.176 2.926 20 0 GFADRO Cc1nc(SC(F)(F)F)sc1CC(=O)N1CCC(O)(C[NH+](C)C)CC1 ZINC000913678068 664349217 /nfs/dbraw/zinc/34/92/17/664349217.db2.gz PSVAEZOOKJXCBH-UHFFFAOYSA-N 1 0 397.488 2.521 20 0 GFADRO C[N@@H+]1CC[C@H]2CN(C(=O)c3cnnn3-c3cc(Cl)ccc3Cl)CC[C@H]21 ZINC000913760950 664356140 /nfs/dbraw/zinc/35/61/40/664356140.db2.gz UOYUIGLAQKOZEA-SMDDNHRTSA-N 1 0 380.279 2.740 20 0 GFADRO O=C(NC1CC[NH+](C2CC2)CC1)NC1(c2ncc(Br)cn2)CCC1 ZINC000913981257 664370219 /nfs/dbraw/zinc/37/02/19/664370219.db2.gz IQLRPUAOAGDFHE-UHFFFAOYSA-N 1 0 394.317 2.544 20 0 GFADRO C[C@H](CNC(=O)N(C)Cc1ncc(Br)cn1)[N@@H+]1CCCC[C@H]1C ZINC000914072876 664374300 /nfs/dbraw/zinc/37/43/00/664374300.db2.gz ZWTKNHFDGIUPKO-CHWSQXEVSA-N 1 0 384.322 2.643 20 0 GFADRO C[NH+](C)CCCOC1CCN(S(=O)(=O)c2cscc2C(F)F)CC1 ZINC000914225941 664388035 /nfs/dbraw/zinc/38/80/35/664388035.db2.gz YESRLDSAHKXYKD-UHFFFAOYSA-N 1 0 382.498 2.807 20 0 GFADRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)N(C)Cc1ncc(Br)cn1 ZINC000914356622 664403212 /nfs/dbraw/zinc/40/32/12/664403212.db2.gz LQJKZNOYXPCKQS-MGPQQGTHSA-N 1 0 398.349 2.747 20 0 GFADRO O=S(=O)(C[C@@]12CC[N@H+](C1)CCC2)N1CCO[C@@H](c2cccc(Cl)c2)C1 ZINC000914380699 664404743 /nfs/dbraw/zinc/40/47/43/664404743.db2.gz ILSZGVUNBXKHKK-MSOLQXFVSA-N 1 0 384.929 2.529 20 0 GFADRO C[NH+](C)CCc1ccc(CNS(=O)(=O)c2occc2Br)cc1 ZINC000914421489 664408987 /nfs/dbraw/zinc/40/89/87/664408987.db2.gz WOLGGXMRYYOJIN-UHFFFAOYSA-N 1 0 387.299 2.625 20 0 GFADRO O=C(/C=C/c1ccc(Br)o1)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000914688200 664413984 /nfs/dbraw/zinc/41/39/84/664413984.db2.gz JGUBUWHZKIGXBY-ZKKXHLJNSA-N 1 0 383.286 2.769 20 0 GFADRO CC[NH+]1CCN(CCNC(=O)/C=C/c2ccc(C)cc2Br)CC1 ZINC000915268007 664426087 /nfs/dbraw/zinc/42/60/87/664426087.db2.gz RHZKOYZCMHADHO-VOTSOKGWSA-N 1 0 380.330 2.524 20 0 GFADRO CO[C@]1(CNC(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)CCSC1 ZINC000915458858 664431512 /nfs/dbraw/zinc/43/15/12/664431512.db2.gz OJEKQKHKNYLPRE-QAPCUYQASA-N 1 0 383.583 2.781 20 0 GFADRO CC(C)[C@@H](C[NH+](C)C)NC(=O)CSc1nncn1-c1cccc(Cl)c1 ZINC000915623577 664435995 /nfs/dbraw/zinc/43/59/95/664435995.db2.gz KJYLFYHJIOXLAO-OAHLLOKOSA-N 1 0 381.933 2.715 20 0 GFADRO CCC[NH+]1CCC(CNC(=O)NCC2(n3cc(Br)cn3)CC2)CC1 ZINC000915678249 664437248 /nfs/dbraw/zinc/43/72/48/664437248.db2.gz MJDIPLBXNJOEGB-UHFFFAOYSA-N 1 0 398.349 2.556 20 0 GFADRO CC(C)C[C@H](C[NH+](C)C)NC(=O)/C=C\c1ccc(I)o1 ZINC000915704751 664438241 /nfs/dbraw/zinc/43/82/41/664438241.db2.gz ZWWFUXHPJSKEOO-XYLWRLHESA-N 1 0 390.265 2.990 20 0 GFADRO COc1cc2c(cc1Cl)CN(S(=O)(=O)C[C@@]13CC[N@H+](C1)CCC3)CC2 ZINC000915929678 664444756 /nfs/dbraw/zinc/44/47/56/664444756.db2.gz MXJZNDPUILUBDT-SFHVURJKSA-N 1 0 384.929 2.522 20 0 GFADRO CC[N@H+](CCNC(=O)N1CCC[C@H]1c1ncc(Br)cn1)C1CC1 ZINC000916116936 664450706 /nfs/dbraw/zinc/45/07/06/664450706.db2.gz DSZJYAPGIUJLDY-AWEZNQCLSA-N 1 0 382.306 2.570 20 0 GFADRO O[C@H](CN1CCC[N@H+](C[C@@H]2CCCO2)CC1)c1cccc(Br)c1 ZINC000917052710 664475441 /nfs/dbraw/zinc/47/54/41/664475441.db2.gz LEBFCXCGCAYNRV-ZWKOTPCHSA-N 1 0 383.330 2.669 20 0 GFADRO Cc1sc(C)c(S(=O)(=O)NCC2CC[NH+](C3CCOCC3)CC2)c1C ZINC000917156898 664477256 /nfs/dbraw/zinc/47/72/56/664477256.db2.gz DJRRWGRJMFSZMM-UHFFFAOYSA-N 1 0 386.583 2.843 20 0 GFADRO CCCC[N@H+](C)CCNC(=O)N1CCC[C@@H]1c1ncc(Br)cn1 ZINC000918208039 664497074 /nfs/dbraw/zinc/49/70/74/664497074.db2.gz GXDYPPXGAANWEL-CQSZACIVSA-N 1 0 384.322 2.818 20 0 GFADRO COCCC[N@H+](C)CCNC(=O)N1CCC[C@@H]1c1cncc(Br)c1 ZINC000920421914 664526097 /nfs/dbraw/zinc/52/60/97/664526097.db2.gz TZIASFKFISROLC-MRXNPFEDSA-N 1 0 399.333 2.659 20 0 GFADRO CC(C)[NH+]1CCN(CCC(=O)N(C)Cc2cscc2Br)CC1 ZINC000920421449 664526109 /nfs/dbraw/zinc/52/61/09/664526109.db2.gz ONRWSIFHCRSRHV-UHFFFAOYSA-N 1 0 388.375 2.885 20 0 GFADRO O=C(CC[N@H+]1CCC[C@@H]1Cc1ccc(Br)cc1)N1CCOCC1 ZINC000920760888 664530619 /nfs/dbraw/zinc/53/06/19/664530619.db2.gz HPDOEOPPLYNXLD-QGZVFWFLSA-N 1 0 381.314 2.705 20 0 GFADRO CC[C@H](C[NH+]1CCCC1)NC(=O)N1CCC[C@H]1c1ncc(Br)cn1 ZINC000921437784 664548511 /nfs/dbraw/zinc/54/85/11/664548511.db2.gz GUPKFWJEWTYDNC-CABCVRRESA-N 1 0 396.333 2.960 20 0 GFADRO C[NH+](C)CC[C@H](NS(=O)(=O)c1cccc2scnc21)c1cccnc1 ZINC000921479306 664550029 /nfs/dbraw/zinc/55/00/29/664550029.db2.gz GOKSFMRSMZJPBA-AWEZNQCLSA-N 1 0 376.507 2.663 20 0 GFADRO Cc1cc(C[NH2+]CC2(O)CCOCC2)c(C)cc1I ZINC000921680271 664560564 /nfs/dbraw/zinc/56/05/64/664560564.db2.gz CIHWHLHURMNMRI-UHFFFAOYSA-N 1 0 375.250 2.539 20 0 GFADRO CCn1c(Br)c(Br)nc1CN[C@H]1CC[N@@H+](C2CC2)C1 ZINC000921693319 664561100 /nfs/dbraw/zinc/56/11/00/664561100.db2.gz UTINMNAEIUXOHE-VIFPVBQESA-N 1 0 392.139 2.754 20 0 GFADRO CCS(=O)(=O)C[C@@H](C)[NH2+]Cc1cc2c(cc(F)cc2Br)[nH]1 ZINC000921737651 664565687 /nfs/dbraw/zinc/56/56/87/664565687.db2.gz JETDPPYBPWOZAJ-SECBINFHSA-N 1 0 377.279 2.982 20 0 GFADRO CCn1c(C[NH2+][C@@](C)(CO)C2CC2)nc(Br)c1Br ZINC000921828681 664570948 /nfs/dbraw/zinc/57/09/48/664570948.db2.gz ULQNHUFVYBSOIC-LBPRGKRZSA-N 1 0 381.112 2.679 20 0 GFADRO Cc1cc(C[NH2+]C[C@@H](CO)[C@@H]2CCOC2)c(C)cc1I ZINC000922088254 664585128 /nfs/dbraw/zinc/58/51/28/664585128.db2.gz ZXWQCIFWPJSUAQ-HIFRSBDPSA-N 1 0 389.277 2.643 20 0 GFADRO C[C@@H](CCNS(=O)(=O)c1ccccc1)[NH2+]Cc1c(Cl)n[nH]c1C1CC1 ZINC000922109837 664586286 /nfs/dbraw/zinc/58/62/86/664586286.db2.gz KSXXGUUYWMHXPO-LBPRGKRZSA-N 1 0 382.917 2.787 20 0 GFADRO C[NH+](C)C1(CNC(=O)N2CCC[C@@H]2c2ncc(Br)cn2)CCC1 ZINC000922118192 664586649 /nfs/dbraw/zinc/58/66/49/664586649.db2.gz PRDBTTHEWCKFJO-CYBMUJFWSA-N 1 0 382.306 2.570 20 0 GFADRO O=C(c1cc(Cl)c[nH]1)N1CCC([NH2+]Cc2nc(Br)c[nH]2)CC1 ZINC000922123065 664586858 /nfs/dbraw/zinc/58/68/58/664586858.db2.gz GOXSQEAFQLTFQZ-UHFFFAOYSA-N 1 0 386.681 2.548 20 0 GFADRO CC[NH+](CC)CCNC(=O)c1ccc(NCc2nc(Br)c[nH]2)cc1 ZINC000922172392 664588706 /nfs/dbraw/zinc/58/87/06/664588706.db2.gz VIJFICGGMGTWDX-UHFFFAOYSA-N 1 0 394.317 2.856 20 0 GFADRO Cn1nccc1[C@@H]1[C@@H]([NH2+]Cc2ccc(Br)cc2)CCC(=O)N1C ZINC000922406926 664600131 /nfs/dbraw/zinc/60/01/31/664600131.db2.gz QAHJNZPHRAQEFK-YOEHRIQHSA-N 1 0 377.286 2.634 20 0 GFADRO CS(=O)(=O)C1CCC(C[NH2+]Cc2cc(O)ccc2Br)CC1 ZINC000922418766 664600734 /nfs/dbraw/zinc/60/07/34/664600734.db2.gz GFRXFFFTPKYUAD-UHFFFAOYSA-N 1 0 376.316 2.848 20 0 GFADRO NC(=O)CC1CC([NH2+]Cc2cc(Br)cc(Br)c2N)C1 ZINC000922515573 664605342 /nfs/dbraw/zinc/60/53/42/664605342.db2.gz DRECQFCPXJHJFY-UHFFFAOYSA-N 1 0 391.107 2.537 20 0 GFADRO COc1ccc(C[NH2+][C@H]2CCCN3CCSC[C@H]23)c(Br)c1O ZINC000922523333 664605553 /nfs/dbraw/zinc/60/55/53/664605553.db2.gz JWHRCYBTIVOMGP-QWHCGFSZSA-N 1 0 387.343 2.833 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+]C[C@@H]2CCC[C@@H](C(F)(F)F)O2)cc1Cl ZINC000922699429 664611155 /nfs/dbraw/zinc/61/11/55/664611155.db2.gz WSMRPKCUQZDKAM-GWCFXTLKSA-N 1 0 386.823 2.577 20 0 GFADRO CCOc1cc(C[NH2+]C[C@H]2C[C@@H]3COC[C@@H]3O2)cc(Br)c1OC ZINC000922727613 664612255 /nfs/dbraw/zinc/61/22/55/664612255.db2.gz DBJUCQWHKKCXAU-IOASZLSFSA-N 1 0 386.286 2.750 20 0 GFADRO CS(=O)(=O)C[C@@H](O)C[NH2+]Cc1ccccc1Oc1ccc(F)c(Cl)c1 ZINC000922821378 664615523 /nfs/dbraw/zinc/61/55/23/664615523.db2.gz AXYPFHXGORFLIR-ZDUSSCGKSA-N 1 0 387.860 2.767 20 0 GFADRO CCn1cc(Br)cc1C(=O)N1CCC([NH2+]C2CCOCC2)CC1 ZINC000922864453 664616893 /nfs/dbraw/zinc/61/68/93/664616893.db2.gz QUYAEPMXMXXBSD-UHFFFAOYSA-N 1 0 384.318 2.644 20 0 GFADRO Cn1cc(C[NH2+]CC[C@@H]2OCCc3ccccc32)c(I)n1 ZINC000922957603 664619965 /nfs/dbraw/zinc/61/99/65/664619965.db2.gz CIYICTOFWXTXRX-HNNXBMFYSA-N 1 0 397.260 2.818 20 0 GFADRO Cn1nnc2c1C[C@H]([NH2+]Cc1ccc(OC(F)F)c(Br)c1)CC2 ZINC000922993795 664620557 /nfs/dbraw/zinc/62/05/57/664620557.db2.gz LYPBQIAUIXILFS-SNVBAGLBSA-N 1 0 387.228 2.826 20 0 GFADRO C[NH+](C)C1(CNC(=O)N[C@@H](CO)c2ccc(Cl)cc2C(F)(F)F)CC1 ZINC000922997281 664620616 /nfs/dbraw/zinc/62/06/16/664620616.db2.gz XRMFVIGBZBBBTI-ZDUSSCGKSA-N 1 0 379.810 2.786 20 0 GFADRO Brc1cnc(C2([NH2+][C@H]3CCOC4(CCOCC4)C3)CCC2)nc1 ZINC000923001626 664620741 /nfs/dbraw/zinc/62/07/41/664620741.db2.gz VMRFKPOOIDCLLA-AWEZNQCLSA-N 1 0 382.302 2.936 20 0 GFADRO CC(C)(C(=O)Nc1cc(Br)cc2c1NC(=O)CO2)[NH+]1CCCCC1 ZINC000923027007 664621680 /nfs/dbraw/zinc/62/16/80/664621680.db2.gz ZHEIRXKGDNNCNC-UHFFFAOYSA-N 1 0 396.285 2.983 20 0 GFADRO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)c1cnn(-c2cccc(Br)c2)c1 ZINC000923288340 664627443 /nfs/dbraw/zinc/62/74/43/664627443.db2.gz IXBFASDWCGKBKI-DOTOQJQBSA-N 1 0 389.297 2.944 20 0 GFADRO C[C@@H]1[NH2+]CCN(C[C@H](O)COc2ccc(Cl)cc2Br)[C@H]1C ZINC000923346646 664628802 /nfs/dbraw/zinc/62/88/02/664628802.db2.gz UGPFFPQMTXVMTI-GVXVVHGQSA-N 1 0 377.710 2.524 20 0 GFADRO O[C@H](COc1ccc(Cl)cc1Br)CN1CCC2(CC[NH2+]2)CC1 ZINC000923381811 664629314 /nfs/dbraw/zinc/62/93/14/664629314.db2.gz PNBYWYSRZAMAFI-ZDUSSCGKSA-N 1 0 389.721 2.670 20 0 GFADRO [NH3+]CCCN(CC(F)(F)F)S(=O)(=O)c1cnc(-c2ccccc2)s1 ZINC000923670499 664635325 /nfs/dbraw/zinc/63/53/25/664635325.db2.gz FJRMGNYZKAUQKC-UHFFFAOYSA-N 1 0 379.429 2.712 20 0 GFADRO COc1cc(C(C)C)c(S(=O)(=O)NC[C@H]2C[NH2+]CCC2(F)F)cc1C ZINC000923674461 664635364 /nfs/dbraw/zinc/63/53/64/664635364.db2.gz PWKUYUDQKQVFTP-CYBMUJFWSA-N 1 0 376.469 2.650 20 0 GFADRO COc1ccc2nc(Cl)ccc2c1S(=O)(=O)N1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923701585 664636319 /nfs/dbraw/zinc/63/63/19/664636319.db2.gz VTMIVDGSGOOXDM-NEPJUHHUSA-N 1 0 383.901 2.502 20 0 GFADRO O=S(=O)(c1onc(C2CC2)c1Cl)N1CCC([C@H]2CCC[NH2+]CC2)CC1 ZINC000923704210 664636570 /nfs/dbraw/zinc/63/65/70/664636570.db2.gz VSQILWIQOTZWSX-LBPRGKRZSA-N 1 0 387.933 2.996 20 0 GFADRO O=S(=O)(c1onc(C2CC2)c1Cl)N1CCC([C@@H]2CCC[NH2+]CC2)CC1 ZINC000923704208 664636602 /nfs/dbraw/zinc/63/66/02/664636602.db2.gz VSQILWIQOTZWSX-GFCCVEGCSA-N 1 0 387.933 2.996 20 0 GFADRO Cc1[nH+]cc2n1C[C@@H](c1nc(-c3cc(N)ncc3Br)no1)CC2 ZINC000924163716 664649444 /nfs/dbraw/zinc/64/94/44/664649444.db2.gz MVDFBXASVMSVDK-VIFPVBQESA-N 1 0 375.230 2.711 20 0 GFADRO C[NH+](C)CCN(Cc1ccsc1)C(=O)NC[C@@H]1CC[C@@H](C(F)(F)F)O1 ZINC000924520703 664656777 /nfs/dbraw/zinc/65/67/77/664656777.db2.gz UJYOUXHGFVJIFL-KBPBESRZSA-N 1 0 379.448 2.931 20 0 GFADRO C[C@H]([NH2+]CCc1ccccc1Br)C1CCN(S(C)(=O)=O)CC1 ZINC000924864725 664663072 /nfs/dbraw/zinc/66/30/72/664663072.db2.gz BUDKUDWIAIPPDC-ZDUSSCGKSA-N 1 0 389.359 2.641 20 0 GFADRO CCON1CCC([NH2+]CCCNC(=O)c2ccc(Br)cc2)CC1 ZINC000924907369 664663910 /nfs/dbraw/zinc/66/39/10/664663910.db2.gz MGDXDUUSXGROIR-UHFFFAOYSA-N 1 0 384.318 2.575 20 0 GFADRO CN1CCN(C(=O)CC[NH2+]C(CCC(F)(F)F)CCC(F)(F)F)CC1 ZINC000924946867 664664312 /nfs/dbraw/zinc/66/43/12/664664312.db2.gz ZMEUIWVJXGYFFK-UHFFFAOYSA-N 1 0 377.373 2.794 20 0 GFADRO Cc1nc(CSc2ccccc2C(=O)NC[C@@H]2C[C@H](O)C[N@H+]2C)cs1 ZINC000924986327 664664709 /nfs/dbraw/zinc/66/47/09/664664709.db2.gz JFEUJACORQXZEA-GJZGRUSLSA-N 1 0 377.535 2.539 20 0 GFADRO Cc1ccc([C@H](NC[C@H](O)C[NH+](C)C)c2cncc(Br)c2)cc1 ZINC000924995468 664664827 /nfs/dbraw/zinc/66/48/27/664664827.db2.gz WBVFPUVBJYPHKM-ROUUACIJSA-N 1 0 378.314 2.754 20 0 GFADRO CC(=O)Nc1ccc(Cl)c(NC(=O)N[C@H]2CCC[N@@H+]3CCSC[C@@H]23)c1 ZINC000925146026 664667486 /nfs/dbraw/zinc/66/74/86/664667486.db2.gz CLVGEWGZXOBRBS-HOCLYGCPSA-N 1 0 382.917 3.000 20 0 GFADRO CN(Cc1nc2c(s1)CCCC2)C(=O)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000925152196 664667492 /nfs/dbraw/zinc/66/74/92/664667492.db2.gz GQJVUPBBSNABKF-ZFWWWQNUSA-N 1 0 380.583 2.743 20 0 GFADRO CN(C[C@@H]1OCCc2sccc21)C(=O)N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000925170132 664667927 /nfs/dbraw/zinc/66/79/27/664667927.db2.gz LQPIPTPCUCWHMU-XHSDSOJGSA-N 1 0 381.567 2.583 20 0 GFADRO CC[N@@H+]1CCC[C@@H](N2C(=O)[C@H](c3ccc(Br)s3)N(C)C2=O)C1 ZINC000925298786 664670181 /nfs/dbraw/zinc/67/01/81/664670181.db2.gz PSMWFLUYMXQVAZ-MFKMUULPSA-N 1 0 386.315 2.930 20 0 GFADRO C[N@@H+]1CC[C@@H]1CNC(=O)N1CC2(CCOCC2)c2ccc(Br)cc21 ZINC000925432820 664672169 /nfs/dbraw/zinc/67/21/69/664672169.db2.gz YZFSBKCMAGCTMT-CQSZACIVSA-N 1 0 394.313 2.731 20 0 GFADRO CCN(CC)S(=O)(=O)c1ccc(CN[C@@H](c2ccccc2)[C@@H](C)[NH3+])s1 ZINC000925588397 664673430 /nfs/dbraw/zinc/67/34/30/664673430.db2.gz WNWLINOBSSNBRC-RDTXWAMCSA-N 1 0 381.567 2.957 20 0 GFADRO CS(=O)(=O)N1CC[C@H](C[NH2+][C@@H](c2ccc(Cl)cc2)c2ccccn2)C1 ZINC000925622394 664673536 /nfs/dbraw/zinc/67/35/36/664673536.db2.gz LCGQTZQDRVNSIF-KDOFPFPSSA-N 1 0 379.913 2.696 20 0 GFADRO Cc1ccc([C@H]([NH2+]C[C@@]2(O)CCOC2)c2cncc(Br)c2)cc1 ZINC000925625383 664673748 /nfs/dbraw/zinc/67/37/48/664673748.db2.gz DJNGNGYSOXMZOE-ROUUACIJSA-N 1 0 377.282 2.983 20 0 GFADRO [NH3+][C@@H]1C[C@@H](NCc2c(Br)cncc2Br)C12CCC2 ZINC000925679601 664673965 /nfs/dbraw/zinc/67/39/65/664673965.db2.gz KOFRTVAWYVPMQW-VXGBXAGGSA-N 1 0 375.108 2.966 20 0 GFADRO CCC1([NH3+])CCN([C@@H]2CCS(=O)(=O)c3ccc(Br)cc32)CC1 ZINC000925760364 664674393 /nfs/dbraw/zinc/67/43/93/664674393.db2.gz QBEPASHBQVKSIR-CQSZACIVSA-N 1 0 387.343 2.871 20 0 GFADRO O=S1(=O)CCNC[C@@H]1CC[NH2+][C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000925791382 664674864 /nfs/dbraw/zinc/67/48/64/664674864.db2.gz GDZGNBRYHUOZQG-RBUKOAKNSA-N 1 0 378.925 2.796 20 0 GFADRO CC[C@@H]1CN(S(C)(=O)=O)CC[C@@H]1[NH2+][C@H](C)c1cccc(Br)n1 ZINC000925885183 664676691 /nfs/dbraw/zinc/67/66/91/664676691.db2.gz RUSZFRZJFNDFMG-BZPMIXESSA-N 1 0 390.347 2.555 20 0 GFADRO O=C(NCCCCCN1CC[NH2+]CC1)Nc1ccc(Br)cc1F ZINC000925898874 664677132 /nfs/dbraw/zinc/67/71/32/664677132.db2.gz ATXOBMYBYCVODN-UHFFFAOYSA-N 1 0 387.297 2.785 20 0 GFADRO COc1ccc(I)c(NC(=O)N2C[C@@H]([NH3+])C(C)(C)C2)c1 ZINC000925991912 664678829 /nfs/dbraw/zinc/67/88/29/664678829.db2.gz JQHJSPSVMOJTQH-GFCCVEGCSA-N 1 0 389.237 2.501 20 0 GFADRO C[C@H]1CN(C(=O)Nc2ccc(F)cc2I)CC[C@@H]1C[NH3+] ZINC000926056433 664680180 /nfs/dbraw/zinc/68/01/80/664680180.db2.gz YQZDFHPGRXTHKN-VHSXEESVSA-N 1 0 391.228 2.879 20 0 GFADRO Cc1nc(NC(=O)N2CCC3(CO[C@@H](C[NH3+])C3)CC2)ccc1Br ZINC000926091036 664681409 /nfs/dbraw/zinc/68/14/09/664681409.db2.gz KVCARMCXRFWHHG-GFCCVEGCSA-N 1 0 383.290 2.514 20 0 GFADRO Cc1cc(NC(=O)N2CC[C@H](C(F)(F)F)[C@@H]([NH3+])C2)cnc1Br ZINC000926088932 664681427 /nfs/dbraw/zinc/68/14/27/664681427.db2.gz CDOZJYGAGSPJJW-UWVGGRQHSA-N 1 0 381.196 2.896 20 0 GFADRO Cc1cc(Br)c(NC(=O)N2CCC[C@]([NH3+])(CO)C2)cc1Cl ZINC000926092828 664681601 /nfs/dbraw/zinc/68/16/01/664681601.db2.gz IXGSGIBPVOPXCJ-CQSZACIVSA-N 1 0 376.682 2.728 20 0 GFADRO [NH3+][C@@]1(CO)CCCN(C(=O)N[C@H](c2ccc(F)c(Cl)c2)C(F)(F)F)C1 ZINC000926107881 664681980 /nfs/dbraw/zinc/68/19/80/664681980.db2.gz WHHLSFHGDYIZAD-OCCSQVGLSA-N 1 0 383.773 2.578 20 0 GFADRO Cc1c(Br)nccc1NC(=O)N1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000926128173 664682348 /nfs/dbraw/zinc/68/23/48/664682348.db2.gz ZECSLASJEBDCFK-GFCCVEGCSA-N 1 0 383.290 2.514 20 0 GFADRO CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)c1cscc1Br)C2 ZINC000926150737 664683154 /nfs/dbraw/zinc/68/31/54/664683154.db2.gz NKXBZBBBLRNCRA-KQTLUZQSSA-N 1 0 387.343 2.720 20 0 GFADRO Cc1ccc(C(=O)N[C@@H]2C[C@@]3(C[N@@H+](C)[C@H]3C(C)C)C[C@H]2O)c(Br)c1 ZINC000926162656 664683406 /nfs/dbraw/zinc/68/34/06/664683406.db2.gz DMTIBBQWLDQNSF-VXNCWWDNSA-N 1 0 395.341 2.967 20 0 GFADRO Cc1ccc(Br)cc1C(=O)N[C@@H]1C[C@@]2(C[N@@H+](C)[C@@H]2C(C)C)C[C@H]1O ZINC000926167108 664683665 /nfs/dbraw/zinc/68/36/65/664683665.db2.gz AJMWFAAGIDAHBS-MTNOOBJLSA-N 1 0 395.341 2.967 20 0 GFADRO Cc1c(C)c(NC(=O)N2CC3CC2(C[NH3+])C3)ccc1I ZINC000926201526 664684719 /nfs/dbraw/zinc/68/47/19/664684719.db2.gz FDHQRODJYKSXPG-UHFFFAOYSA-N 1 0 385.249 2.863 20 0 GFADRO C[C@@H]([NH2+]C[C@@H](c1ccccc1)C(F)(F)F)C1CCN(S(C)(=O)=O)CC1 ZINC000926216522 664684817 /nfs/dbraw/zinc/68/48/17/664684817.db2.gz KBSPCSKOYLIYOQ-CJNGLKHVSA-N 1 0 378.460 2.982 20 0 GFADRO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NC(=O)c3cc(Br)co3)C2)[C@H]1C(C)C ZINC000926233771 664684928 /nfs/dbraw/zinc/68/49/28/664684928.db2.gz DXEONRRVOMYKKX-SMKXDYDZSA-N 1 0 385.302 2.642 20 0 GFADRO [NH3+][C@H]1C[C@H](CNC(=O)Nc2ccc(I)c(Cl)c2)C1 ZINC000926221062 664684958 /nfs/dbraw/zinc/68/49/58/664684958.db2.gz YVVGKWAFEQEBML-ZKCHVHJHSA-N 1 0 379.629 2.803 20 0 GFADRO CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NC(=O)c3oc(Br)cc3C)C2)[C@@H]1C(C)C ZINC000926256191 664685814 /nfs/dbraw/zinc/68/58/14/664685814.db2.gz QUQQOLLICDVQBH-MHRLRVJTSA-N 1 0 399.329 2.950 20 0 GFADRO Brc1cccc(N2CC[C@@H]([NH2+][C@H]3CCOC34CCOCC4)C2)c1 ZINC000926307362 664687506 /nfs/dbraw/zinc/68/75/06/664687506.db2.gz OSDKIJPUWQPFKO-WBVHZDCISA-N 1 0 381.314 2.956 20 0 GFADRO O=S(=O)(NCC[NH2+][C@@H](C1CC1)[C@H]1CCCOC1)c1ccc(F)cc1Cl ZINC000926369003 664688801 /nfs/dbraw/zinc/68/88/01/664688801.db2.gz HQIPCFFKVIIGDV-GUYCJALGSA-N 1 0 390.908 2.552 20 0 GFADRO C[C@H]([NH2+]CCCn1cc(Br)cn1)c1cnnn1-c1ccccc1 ZINC000926431430 664689919 /nfs/dbraw/zinc/68/99/19/664689919.db2.gz DNEJBBPDNQKSBA-ZDUSSCGKSA-N 1 0 375.274 2.967 20 0 GFADRO C[C@H](C[C@@H]1CCC(=O)N1)[NH2+][C@H](C)c1ccc(Br)cc1OCCCO ZINC000926467050 664690255 /nfs/dbraw/zinc/69/02/55/664690255.db2.gz LRBSXLHQYPNLJV-NFAWXSAZSA-N 1 0 399.329 2.918 20 0 GFADRO CO[C@H]1C[C@@H](C[NH2+][C@@H](C)c2cccc(Br)n2)N(c2ccncn2)C1 ZINC000926826330 664697352 /nfs/dbraw/zinc/69/73/52/664697352.db2.gz FORDPDHLUYHHPB-IHRRRGAJSA-N 1 0 392.301 2.579 20 0 GFADRO O=C1NCC2(CCOCC2)[C@H]1[NH2+]Cc1ccc2ccc(Br)cc2c1 ZINC000926840753 664697597 /nfs/dbraw/zinc/69/75/97/664697597.db2.gz HLICDEWQQTUNEK-KRWDZBQOSA-N 1 0 389.293 2.987 20 0 GFADRO O=C1NCC2(CCOCC2)[C@@H]1[NH2+]Cc1cc(Br)c2ccccc2c1 ZINC000926882830 664698460 /nfs/dbraw/zinc/69/84/60/664698460.db2.gz FBCHOASJWDHTJI-QGZVFWFLSA-N 1 0 389.293 2.987 20 0 GFADRO Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)[NH2+]CCc1nc2c(s1)CCC2 ZINC000926930350 664699224 /nfs/dbraw/zinc/69/92/24/664699224.db2.gz XGXMZUCEPKXQLU-ZDUSSCGKSA-N 1 0 379.551 2.789 20 0 GFADRO CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]CC[C@H](N(C)C)C(F)(F)F)cc1 ZINC000926963622 664699446 /nfs/dbraw/zinc/69/94/46/664699446.db2.gz OBXFJNRIXYGHGC-WFASDCNBSA-N 1 0 381.464 2.981 20 0 GFADRO Brc1cnn(C2(C[NH2+]C3CCN(Cc4ccncc4)CC3)CC2)c1 ZINC000927007856 664702253 /nfs/dbraw/zinc/70/22/53/664702253.db2.gz LPEKCBCCLCAFNQ-UHFFFAOYSA-N 1 0 390.329 2.784 20 0 GFADRO CC1(C)CN(C(=O)C(=O)Nc2cccnc2-c2ccc(Cl)s2)C[C@@H]1[NH3+] ZINC000927851700 664716746 /nfs/dbraw/zinc/71/67/46/664716746.db2.gz DSOGIVCVEMAWDK-LBPRGKRZSA-N 1 0 378.885 2.598 20 0 GFADRO COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC000927868635 664717029 /nfs/dbraw/zinc/71/70/29/664717029.db2.gz MEIXMKGJJNMJMW-RHSMWYFYSA-N 1 0 386.279 2.589 20 0 GFADRO O=C(C1C[NH+](C2CCOCC2)C1)N1CCc2ccc(Br)c(F)c2C1 ZINC000928014832 664719987 /nfs/dbraw/zinc/71/99/87/664719987.db2.gz NIBZUMOEJPMEKI-UHFFFAOYSA-N 1 0 397.288 2.584 20 0 GFADRO Cc1c(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2C)cnn1-c1cccc(Br)c1 ZINC000928436751 664732575 /nfs/dbraw/zinc/73/25/75/664732575.db2.gz ACAWQFDNHOHZAO-WBMJQRKESA-N 1 0 377.286 2.766 20 0 GFADRO C[C@@H]1[C@@H](NC(=O)CCc2nc(-c3cc(Br)cs3)no2)CC[N@@H+]1C ZINC000928443846 664732606 /nfs/dbraw/zinc/73/26/06/664732606.db2.gz HEWUVTJTQPRNLK-KOLCDFICSA-N 1 0 399.314 2.702 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C(=O)N[C@@H]1CC[N@H+](C)[C@H]1C ZINC000928440197 664732627 /nfs/dbraw/zinc/73/26/27/664732627.db2.gz KPPIWKODUJSFOT-BLLLJJGKSA-N 1 0 377.286 2.766 20 0 GFADRO C[N@@H+]1CC[C@H]1CNC(=O)Cc1ccc(Br)c(Br)c1 ZINC000928552271 664734956 /nfs/dbraw/zinc/73/49/56/664734956.db2.gz SJAYJBWERHOYIE-JTQLQIEISA-N 1 0 376.092 2.574 20 0 GFADRO C[N@@H+]1CC[C@H]1CNC(=O)Cc1csc(-c2sccc2Br)n1 ZINC000928570629 664735210 /nfs/dbraw/zinc/73/52/10/664735210.db2.gz FLOJBVPYZDGTCN-JTQLQIEISA-N 1 0 386.340 2.997 20 0 GFADRO C[NH+](C)CC[C@H](NC(=O)Cc1ccc(Br)cc1O)c1cccnc1 ZINC000928833587 664740644 /nfs/dbraw/zinc/74/06/44/664740644.db2.gz RJSZGVSDCWAASM-INIZCTEOSA-N 1 0 392.297 2.901 20 0 GFADRO C[C@@H](CC(=O)N[C@@H](CC[NH+](C)C)c1cccnc1)n1cc(Br)cn1 ZINC000928831933 664740647 /nfs/dbraw/zinc/74/06/47/664740647.db2.gz PMCMSUAIVLNUTH-BBRMVZONSA-N 1 0 394.317 2.801 20 0 GFADRO C[NH+](C)CC[C@@H](NC(=O)c1nc(F)ccc1Br)c1cccnc1 ZINC000928833990 664740652 /nfs/dbraw/zinc/74/06/52/664740652.db2.gz RBKTYHIKIPVGDI-CYBMUJFWSA-N 1 0 381.249 2.801 20 0 GFADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)Nc3ccccc3Br)CC2)C1 ZINC000929100952 664746460 /nfs/dbraw/zinc/74/64/60/664746460.db2.gz VWXGULREWBRPSK-AWEZNQCLSA-N 1 0 381.318 2.693 20 0 GFADRO Cc1ccc(NC(=O)COC2CC[NH+](C)CC2)cc1I ZINC000929289415 664749555 /nfs/dbraw/zinc/74/95/55/664749555.db2.gz BDQWZECBGNHQOJ-UHFFFAOYSA-N 1 0 388.249 2.649 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)c1cc(Br)cn2ncnc12)c1cccs1 ZINC000929335920 664750501 /nfs/dbraw/zinc/75/05/01/664750501.db2.gz KDWLFRDDFXSUBL-LBPRGKRZSA-N 1 0 394.298 2.586 20 0 GFADRO CC(C)[NH+]1CCC(NC(=O)[C@](C)(O)c2ccc(F)c(Br)c2)CC1 ZINC000929435223 664752485 /nfs/dbraw/zinc/75/24/85/664752485.db2.gz LFOQMIJYDZUWPZ-QGZVFWFLSA-N 1 0 387.293 2.785 20 0 GFADRO COCCOC[C@@H]1CC[N@H+](Cc2cc(C(=O)OC)ccc2Br)C1 ZINC000929733828 664756729 /nfs/dbraw/zinc/75/67/29/664756729.db2.gz ZTZRYHVMTZGZAP-CYBMUJFWSA-N 1 0 386.286 2.721 20 0 GFADRO O[C@H](C[NH2+]C1(c2cccc(Br)c2)CCOCC1)C1(O)CCCC1 ZINC000929895089 664759321 /nfs/dbraw/zinc/75/93/21/664759321.db2.gz NWOOYBMLSMQLQL-MRXNPFEDSA-N 1 0 384.314 2.710 20 0 GFADRO CCC[N@@H+]1CC[C@@H](CNC(=O)N[C@@](C)(CO)c2cccc(Br)c2)C1 ZINC000929923829 664759904 /nfs/dbraw/zinc/75/99/04/664759904.db2.gz UAAWUYGUMPAQSV-KSSFIOAISA-N 1 0 398.345 2.688 20 0 GFADRO COc1ccc(I)c(NC(=O)N[C@H]2CC[N@H+](C)[C@H]2C)c1 ZINC000930043527 664761596 /nfs/dbraw/zinc/76/15/96/664761596.db2.gz RSCMSIVFVZIHGJ-CABZTGNLSA-N 1 0 389.237 2.514 20 0 GFADRO Cc1cccc(CN2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)c1Br ZINC000930073223 664762118 /nfs/dbraw/zinc/76/21/18/664762118.db2.gz XHVQNIMVHLTTHT-INIZCTEOSA-N 1 0 380.330 2.672 20 0 GFADRO CC(C)(COc1ncccc1Br)[NH2+]C[C@@H](O)CCC1(O)CCC1 ZINC000930167909 664763802 /nfs/dbraw/zinc/76/38/02/664763802.db2.gz NTIIIHKJBVJGLF-ZDUSSCGKSA-N 1 0 387.318 2.647 20 0 GFADRO C[C@H]([NH2+]C[C@@H]1CCC2(COC2)O1)c1cc2c(cc1Br)OCCO2 ZINC000930207576 664764604 /nfs/dbraw/zinc/76/46/04/664764604.db2.gz AVKCJHAUGATUOU-RYUDHWBXSA-N 1 0 384.270 2.819 20 0 GFADRO CC(C)[C@H](CC(F)(F)F)[NH2+]C[C@H](O)C1(S(=O)(=O)NC(C)(C)C)CCC1 ZINC000930247961 664765140 /nfs/dbraw/zinc/76/51/40/664765140.db2.gz BFUWKQUVWJBSPT-STQMWFEESA-N 1 0 388.496 2.555 20 0 GFADRO O=C(NCC[NH+]1CCC(O)CC1)Nc1cc(Br)c(F)cc1Cl ZINC000930295626 664766233 /nfs/dbraw/zinc/76/62/33/664766233.db2.gz GAGBERQNYKJDPE-UHFFFAOYSA-N 1 0 394.672 2.820 20 0 GFADRO Cc1cc(Br)ncc1NC(=O)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000930321222 664767042 /nfs/dbraw/zinc/76/70/42/664767042.db2.gz HMCZPQUKIJFVNJ-ZDUSSCGKSA-N 1 0 383.290 2.527 20 0 GFADRO C[NH+]1CCC2(CCCN(C(=O)Nc3nnc(CC(F)(F)F)s3)C2)CC1 ZINC000930426402 664770287 /nfs/dbraw/zinc/77/02/87/664770287.db2.gz PFKUGLXOMXFBTG-UHFFFAOYSA-N 1 0 377.436 2.983 20 0 GFADRO COC(=O)c1cc(Br)c(C[N@@H+]2C[C@@H]3CC[C@H](O)C[C@@H]3C2)cc1OC ZINC000930726696 664777283 /nfs/dbraw/zinc/77/72/83/664777283.db2.gz OIZPNOKGYNNNSK-SCRDCRAPSA-N 1 0 398.297 2.837 20 0 GFADRO CN(C(=O)Nc1cc(Br)cnc1-n1cccn1)[C@H]1CCC[N@H+](C)C1 ZINC000930805131 664778714 /nfs/dbraw/zinc/77/87/14/664778714.db2.gz AJWHKMWRSGZSTP-ZDUSSCGKSA-N 1 0 393.289 2.588 20 0 GFADRO C[C@@H]1CC[C@H](C(N)=O)[C@@H](C)[N@@H+]1Cc1nnc(-c2ccccc2Br)o1 ZINC000930917608 664780941 /nfs/dbraw/zinc/78/09/41/664780941.db2.gz XKWSOCNGFBSELV-UTUOFQBUSA-N 1 0 393.285 2.973 20 0 GFADRO C[C@@H]1[C@@H]([NH+](C)C)CCN1Cc1csc(-c2ccc(S(C)(=O)=O)cc2)n1 ZINC000931042560 664783973 /nfs/dbraw/zinc/78/39/73/664783973.db2.gz NDYJTDBVDDQCFI-DYVFJYSZSA-N 1 0 379.551 2.738 20 0 GFADRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(C(=O)c2cc(=O)n(C)cc2Br)C1 ZINC000931134722 664786732 /nfs/dbraw/zinc/78/67/32/664786732.db2.gz PRCPMZBQWXXOEQ-MCIONIFRSA-N 1 0 396.329 2.625 20 0 GFADRO O=C(c1ccc2c(Br)cnn2c1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000931190420 664787932 /nfs/dbraw/zinc/78/79/32/664787932.db2.gz SGDSAFGXRNGHJS-AWEZNQCLSA-N 1 0 377.286 2.797 20 0 GFADRO CCn1ncc(NC(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@H]23)c1C(F)(F)F ZINC000931264069 664789798 /nfs/dbraw/zinc/78/97/98/664789798.db2.gz ZEFJSMLJXUZRRD-ZYHUDNBSSA-N 1 0 377.436 2.623 20 0 GFADRO O[C@@H](CN1CC[NH+](CCc2ccncc2)CC1)c1ccc(Br)cc1 ZINC000931340040 664792144 /nfs/dbraw/zinc/79/21/44/664792144.db2.gz WBKVTCKNDJCJAY-IBGZPJMESA-N 1 0 390.325 2.738 20 0 GFADRO COC(=O)c1cc(NC(=O)N2CC[C@H]3C[N@H+](C)C[C@@H]32)c(C)cc1Br ZINC000931405735 664794079 /nfs/dbraw/zinc/79/40/79/664794079.db2.gz FVKVDVHRZOBHRB-NHYWBVRUSA-N 1 0 396.285 2.712 20 0 GFADRO CCOC(=O)c1nc(NC(=O)N[C@H](C)CC[NH+](C)C)sc1C(F)(F)F ZINC000931597065 664800535 /nfs/dbraw/zinc/80/05/35/664800535.db2.gz QDWGAGMLKFMJMX-MRVPVSSYSA-N 1 0 382.408 2.800 20 0 GFADRO COC1(OC)CCOC[C@@H]1[NH2+]CCC(=O)Nc1cc(Cl)ccc1Cl ZINC000931671558 664802281 /nfs/dbraw/zinc/80/22/81/664802281.db2.gz IYQUSCOSSUMHDZ-AWEZNQCLSA-N 1 0 377.268 2.690 20 0 GFADRO CC[NH+]1CCN([C@@H](C)CNC(=O)c2c(F)ccc(Br)c2C)CC1 ZINC000932701591 664832276 /nfs/dbraw/zinc/83/22/76/664832276.db2.gz DXPXTTZMMWQBHH-LBPRGKRZSA-N 1 0 386.309 2.652 20 0 GFADRO COc1ncc(NC(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c(C)c1Br ZINC000932941806 664843658 /nfs/dbraw/zinc/84/36/58/664843658.db2.gz NHHGWTSPVBKTMI-VXGBXAGGSA-N 1 0 383.290 2.909 20 0 GFADRO COc1ncc(NC(=O)N2C[C@@H]3C[N@H+](C)C[C@]3(C)C2)c(C)c1Br ZINC000932962551 664845851 /nfs/dbraw/zinc/84/58/51/664845851.db2.gz MWHKOWIVUXKDTF-MEDUHNTESA-N 1 0 383.290 2.577 20 0 GFADRO O=C1NCC2(CCOCC2)[C@@H]1[NH2+][C@@H]1CCCc2ccc(Br)cc21 ZINC000933034945 664847786 /nfs/dbraw/zinc/84/77/86/664847786.db2.gz MFARYDLTWYFXQN-HZPDHXFCSA-N 1 0 379.298 2.711 20 0 GFADRO CC[C@@](C)(O)C(=O)NC1CC[NH+](CCOc2ccc(Br)cc2)CC1 ZINC000933161610 664851182 /nfs/dbraw/zinc/85/11/82/664851182.db2.gz MMCVQWPYBZJTRZ-GOSISDBHSA-N 1 0 399.329 2.570 20 0 GFADRO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)c1cc2cc(Br)cnc2n1C ZINC000933294998 664855669 /nfs/dbraw/zinc/85/56/69/664855669.db2.gz UVELQLPICBRZNH-OAHLLOKOSA-N 1 0 379.302 2.748 20 0 GFADRO C[C@@](O)(C(=O)N1CC[C@H](C[NH+]2CCCC2)C1)c1ccc(F)c(Br)c1 ZINC000933331521 664859511 /nfs/dbraw/zinc/85/95/11/664859511.db2.gz FHVFUMYXCOUPQR-ACJLOTCBSA-N 1 0 399.304 2.740 20 0 GFADRO O=S(=O)(CC[NH2+]C1([C@H]2CCCCO2)CC1)c1ccc(Br)cc1 ZINC000933383204 664861089 /nfs/dbraw/zinc/86/10/89/664861089.db2.gz JEFQAPKPBDLLGO-OAHLLOKOSA-N 1 0 388.327 2.914 20 0 GFADRO Cc1ccc(Br)c2[nH]c(C(=O)N[C@H](C)[C@H]3C[N@H+](C)CCN3C)cc21 ZINC000933388157 664861442 /nfs/dbraw/zinc/86/14/42/664861442.db2.gz RDUINDQDUSGCMX-MLGOLLRUSA-N 1 0 393.329 2.603 20 0 GFADRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1cc2cc(Br)cnc2n1C ZINC000933435117 664863768 /nfs/dbraw/zinc/86/37/68/664863768.db2.gz NMOSZTYNYABVCA-FZMZJTMJSA-N 1 0 379.302 2.748 20 0 GFADRO C[C@@](CO)(Cc1ccc(Br)cc1)[NH2+]C[C@@H]1CC2(CCC2)C(=O)O1 ZINC000933438842 664864293 /nfs/dbraw/zinc/86/42/93/664864293.db2.gz GJZAPTULQAARPG-RDJZCZTQSA-N 1 0 382.298 2.818 20 0 GFADRO CC(C)Cn1ncnc1C[NH2+][C@](C)(CO)Cc1ccc(Br)cc1 ZINC000933438807 664864297 /nfs/dbraw/zinc/86/42/97/664864297.db2.gz FNUWWFQFGFUNCR-KRWDZBQOSA-N 1 0 381.318 2.780 20 0 GFADRO COC(=O)c1cncc(C[NH2+][C@](C)(CO)Cc2ccc(Br)cc2)c1 ZINC000933440674 664864471 /nfs/dbraw/zinc/86/44/71/664864471.db2.gz MPOIQFUPVMKTCH-SFHVURJKSA-N 1 0 393.281 2.714 20 0 GFADRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2cnnn2-c2cccc(Cl)c2Cl)C1 ZINC000933798441 664878319 /nfs/dbraw/zinc/87/83/19/664878319.db2.gz PHNXSVUPRXBGOA-GFCCVEGCSA-N 1 0 382.295 2.988 20 0 GFADRO COCCOc1ccc(NC(=O)NCC[C@H](C)[NH+](C)C)cc1Br ZINC000933983218 664884327 /nfs/dbraw/zinc/88/43/27/664884327.db2.gz LFUCYJFITLFUOJ-LBPRGKRZSA-N 1 0 388.306 2.936 20 0 GFADRO COCCOc1ccc(NC(=O)N2CC[C@H]3C[N@H+](C)C[C@H]32)cc1Br ZINC000933991604 664886042 /nfs/dbraw/zinc/88/60/42/664886042.db2.gz QTSFMODSUFSPGU-SWLSCSKDSA-N 1 0 398.301 2.642 20 0 GFADRO CN1CCN(C)CC[NH+](CCCC(=O)c2ccc(Br)cc2)CC1 ZINC000933992029 664886058 /nfs/dbraw/zinc/88/60/58/664886058.db2.gz LQLUTZGEVOGXJW-UHFFFAOYSA-N 1 0 382.346 2.591 20 0 GFADRO CO[C@@H]1CCOC[C@H]1[NH2+]Cc1ccnc(-c2ccc(Br)cc2)n1 ZINC000934039568 664888405 /nfs/dbraw/zinc/88/84/05/664888405.db2.gz VTXJPUBTESXCGF-HZPDHXFCSA-N 1 0 378.270 2.800 20 0 GFADRO O=C(c1ncc(C(F)(F)F)cc1Cl)N1CC[NH+](C2CCOCC2)CC1 ZINC000934044724 664888755 /nfs/dbraw/zinc/88/87/55/664888755.db2.gz WWKWNJMGFQYTGK-UHFFFAOYSA-N 1 0 377.794 2.691 20 0 GFADRO COc1ccc(C[N@@H+]2CCCCCNC(=O)CC2)c(Br)c1OC ZINC000934160945 664891205 /nfs/dbraw/zinc/89/12/05/664891205.db2.gz HKNPMNFYAGOCAI-UHFFFAOYSA-N 1 0 385.302 2.959 20 0 GFADRO Cc1c(Br)cncc1NC(=O)NCCCC[N@@H+]1CCC[C@@H]1CO ZINC000934251683 664894026 /nfs/dbraw/zinc/89/40/26/664894026.db2.gz FVMXOBBAVQRLFF-CYBMUJFWSA-N 1 0 385.306 2.511 20 0 GFADRO O=C(NCc1ccc2c[nH+]cn2c1)Nc1c(Br)cnn1C1CC1 ZINC000934370058 664902308 /nfs/dbraw/zinc/90/23/08/664902308.db2.gz VDMQMLXIDVIFRW-UHFFFAOYSA-N 1 0 375.230 2.950 20 0 GFADRO O[C@H](C[NH2+][C@@H]1CCOC12CCOCC2)COc1cc(Cl)ccc1Cl ZINC000934408448 664906193 /nfs/dbraw/zinc/90/61/93/664906193.db2.gz CTGHDECJIDRSIP-CZUORRHYSA-N 1 0 376.280 2.661 20 0 GFADRO O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)c1cc(F)cc(Br)c1F ZINC000934723346 664915840 /nfs/dbraw/zinc/91/58/40/664915840.db2.gz MIXLVJRCJDKCDN-GFCCVEGCSA-N 1 0 389.240 2.710 20 0 GFADRO C[NH+](C)C[C@@H]1CN(C(=O)c2cc(=O)[nH]cc2Br)c2ccccc2O1 ZINC000934734169 664916176 /nfs/dbraw/zinc/91/61/76/664916176.db2.gz CUSLNOQHKOXQHX-LLVKDONJSA-N 1 0 392.253 2.519 20 0 GFADRO C[NH+]1CCC2(CCCN2C(=O)c2cnn3cccc(Br)c23)CC1 ZINC000935190688 664945384 /nfs/dbraw/zinc/94/53/84/664945384.db2.gz SEKCEWCEWFFESQ-UHFFFAOYSA-N 1 0 377.286 2.797 20 0 GFADRO C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)c1cc2ccc(Br)cc2c(=O)o1 ZINC000935214297 664946359 /nfs/dbraw/zinc/94/63/59/664946359.db2.gz QNBLZPGGCAJDMN-WDEREUQCSA-N 1 0 379.254 2.720 20 0 GFADRO C[N@@H+]1CCCC12CCN(C(=O)c1nc(Br)c3ccccn31)CC2 ZINC000935218437 664946562 /nfs/dbraw/zinc/94/65/62/664946562.db2.gz QXSBGPNDLOHBPY-UHFFFAOYSA-N 1 0 377.286 2.797 20 0 GFADRO C[NH+]1CCC(CCO)(NC(=O)C(F)(F)c2cccc(Br)c2)CC1 ZINC000935270410 664949779 /nfs/dbraw/zinc/94/97/79/664949779.db2.gz VVAIBWIHHYOIGN-UHFFFAOYSA-N 1 0 391.256 2.504 20 0 GFADRO C[NH+]1CCC(C)(CNC(=O)C[C@@H]2C(=O)Nc3c2cccc3Br)CC1 ZINC000935296415 664951687 /nfs/dbraw/zinc/95/16/87/664951687.db2.gz YZWZYSOIDOGWPJ-ZDUSSCGKSA-N 1 0 394.313 2.723 20 0 GFADRO Cc1ccc(I)cc1NC(=O)COC1CC[NH+](C)CC1 ZINC000935448485 664962439 /nfs/dbraw/zinc/96/24/39/664962439.db2.gz KRKQEHRMYIRRKX-UHFFFAOYSA-N 1 0 388.249 2.649 20 0 GFADRO C[NH+](C)C1(CNC(=O)c2cc(Br)cnc2Br)CCC1 ZINC000935548655 664969716 /nfs/dbraw/zinc/96/97/16/664969716.db2.gz PIPWSMRPZROOMY-UHFFFAOYSA-N 1 0 391.107 2.821 20 0 GFADRO C[NH+](C)CCc1ccc(CNC(=O)C2(n3cc(Br)cn3)CC2)cc1 ZINC000935572365 664970872 /nfs/dbraw/zinc/97/08/72/664970872.db2.gz MJEQYMGGXKILBW-UHFFFAOYSA-N 1 0 391.313 2.555 20 0 GFADRO Cc1ccc2[nH]c(C(=O)N3CCC[C@](O)(C[NH+](C)C)C3)cc2c1Br ZINC000935678805 664980421 /nfs/dbraw/zinc/98/04/21/664980421.db2.gz FZLKINDJYRMZTI-SFHVURJKSA-N 1 0 394.313 2.768 20 0 GFADRO Cn1cc(Br)c(C(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)cc1=O ZINC000935790984 664989221 /nfs/dbraw/zinc/98/92/21/664989221.db2.gz DDXFAJCMUVBGPK-CQSZACIVSA-N 1 0 396.329 2.675 20 0 GFADRO C[NH+](C)C[C@@H](NC(=O)c1cc(=O)[nH]cc1Br)c1ccc(F)cc1 ZINC000935985457 665002704 /nfs/dbraw/zinc/00/27/04/665002704.db2.gz PPLSVAZZNHPYKW-CQSZACIVSA-N 1 0 382.233 2.722 20 0 GFADRO Cc1[nH]nc(Br)c1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000936004889 665003620 /nfs/dbraw/zinc/00/36/20/665003620.db2.gz FBOXLCHQNWTUBY-TZMCWYRMSA-N 1 0 377.286 2.873 20 0 GFADRO C[C@H]1CCN(c2ncnc3ccc(I)cc32)[C@@H](C[NH3+])C1 ZINC000957128265 665013081 /nfs/dbraw/zinc/01/30/81/665013081.db2.gz FLBGFLWQHYWPOB-CMPLNLGQSA-N 1 0 382.249 2.798 20 0 GFADRO O=C([C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)N1CC[C@@H]([NH2+]Cc2ccc(Br)s2)C1 ZINC000969407781 665014834 /nfs/dbraw/zinc/01/48/34/665014834.db2.gz VPWAIJZZUOUBAX-KTUBUYFOSA-N 1 0 397.338 2.625 20 0 GFADRO C[C@@H]1[C@H](C(=O)N[C@@H]2CCCC[C@H]2NC(=O)c2sccc2Cl)CC[N@@H+]1C ZINC000976761676 665017322 /nfs/dbraw/zinc/01/73/22/665017322.db2.gz LOSOGHCPQZIFHH-QHSBEEBCSA-N 1 0 383.945 2.899 20 0 GFADRO C[C@@H]1[C@H](C(=O)N[C@@H]2CC[C@H](CNC(=O)c3csc(Cl)c3)C2)CC[N@@H+]1C ZINC000981335460 665017945 /nfs/dbraw/zinc/01/79/45/665017945.db2.gz XGZQKTWATNFDOX-AYRXBEOTSA-N 1 0 383.945 2.756 20 0 GFADRO C[NH+](C)[C@@H](C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1csc(Cl)c1)C2)C1CC1 ZINC000996387613 665030672 /nfs/dbraw/zinc/03/06/72/665030672.db2.gz GGTIWRKVOOONNG-ORIJERBGSA-N 1 0 381.929 2.603 20 0 GFADRO C[N@@H+]1CC[C@@H](CC(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ccsc2Cl)C3)C1 ZINC000996390095 665031488 /nfs/dbraw/zinc/03/14/88/665031488.db2.gz QLVHRAPTYSHCMS-NEBZKDRISA-N 1 0 381.929 2.605 20 0 GFADRO Cc1csc(Cl)c1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1CCC[N@H+]1C ZINC000999032950 665042191 /nfs/dbraw/zinc/04/21/91/665042191.db2.gz NALPWLRDLBWQLB-RFGFWPKPSA-N 1 0 381.929 2.666 20 0 GFADRO C[N@@H+]1CCCC[C@@H]1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(Cl)cs1)C2 ZINC001002614675 665055665 /nfs/dbraw/zinc/05/56/65/665055665.db2.gz NQUQNZVSAIJNMI-APIJFGDWSA-N 1 0 381.929 2.748 20 0 GFADRO C[N@@H+]1CCCC[C@@H]1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1sccc1Cl)C2 ZINC001003331338 665059700 /nfs/dbraw/zinc/05/97/00/665059700.db2.gz VPIPUBGTBKCYIJ-REBRKWNGSA-N 1 0 381.929 2.748 20 0 GFADRO CC[NH+]1CCN([C@H](C)CNC(=O)[C@H](C)Oc2ccc(Cl)c(Cl)c2)CC1 ZINC000120878339 677398342 /nfs/dbraw/zinc/39/83/42/677398342.db2.gz BIIUZJIAHYNGJF-KGLIPLIRSA-N 1 0 388.339 2.903 20 0 GFADRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NS(=O)(=O)c1cnc(Cl)c(F)c1 ZINC000390007063 677673046 /nfs/dbraw/zinc/67/30/46/677673046.db2.gz XEHDWIRUCDOKQR-LRDDRELGSA-N 1 0 383.876 2.673 20 0 GFADRO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@@H](CO)C1CCOCC1 ZINC000580237415 677673888 /nfs/dbraw/zinc/67/38/88/677673888.db2.gz PHHTZJLLQADEHD-WBMJQRKESA-N 1 0 385.302 2.543 20 0 GFADRO FC(F)(c1cc(Cl)nc(-c2ccccc2)n1)N1CC[C@@H]2[NH2+]CCO[C@H]2C1 ZINC001164390303 718823675 /nfs/dbraw/zinc/82/36/75/718823675.db2.gz NRYPOCQUWUKLQC-KBPBESRZSA-N 1 0 380.826 2.909 20 0 GFADRO FC(F)(c1cc(Cl)nc(-c2ccccn2)n1)N1CCO[C@@H]2C[NH2+]CC[C@@H]2C1 ZINC001164409501 718864776 /nfs/dbraw/zinc/86/47/76/718864776.db2.gz QUQAWHZGNWLXFV-TZMCWYRMSA-N 1 0 395.841 2.552 20 0 GFADRO CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN([C@@H](F)c1ccnc(Cl)c1)C2 ZINC001164434807 718968988 /nfs/dbraw/zinc/96/89/88/718968988.db2.gz VSUDHSWGVWXEEO-BPLDGKMQSA-N 1 0 395.784 2.720 20 0 GFADRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@@H]2N1C(F)(F)c1cc(SC)cnc1Cl ZINC001164620375 719016696 /nfs/dbraw/zinc/01/66/96/719016696.db2.gz YPRGLNPFYDZKFV-XDTLVQLUSA-N 1 0 391.871 2.732 20 0 GFADRO CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@@H]2N1C(F)(F)c1cc(SC)cnc1Cl ZINC001164620372 719016734 /nfs/dbraw/zinc/01/67/34/719016734.db2.gz YPRGLNPFYDZKFV-ICCXJUOJSA-N 1 0 391.871 2.732 20 0 GFADRO CNC(=O)c1cc(Cl)nc(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC001164630879 719111162 /nfs/dbraw/zinc/11/11/62/719111162.db2.gz XCXRMHYXMZQVTF-RDJZCZTQSA-N 1 0 385.899 2.590 20 0 GFADRO COC(=O)[C@H]1C[NH2+]CCN1C(F)(F)Oc1ccccc1-c1cccc(Cl)n1 ZINC001164629708 719137828 /nfs/dbraw/zinc/13/78/28/719137828.db2.gz CHABERLXXGTOFX-CQSZACIVSA-N 1 0 397.809 2.778 20 0 GFADRO CCOC(=O)c1cc(-n2nc(CN(C)C(C)C)c3c2C[NH2+]CC3)ncc1Cl ZINC001164684029 719604483 /nfs/dbraw/zinc/60/44/83/719604483.db2.gz LZKLUQJLFHFVNV-UHFFFAOYSA-N 1 0 391.903 2.583 20 0 GFADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1nnc(Cl)c3ccc(F)cc31)CC2 ZINC001164690016 719751543 /nfs/dbraw/zinc/75/15/43/719751543.db2.gz OSVDLELPPVQCOX-UHFFFAOYSA-N 1 0 391.878 2.603 20 0 GFADRO CC(C)Oc1ncnc2c1CCN(c1cccc(OCC[NH+]3CCCC3)n1)CC2 ZINC001164694839 719792261 /nfs/dbraw/zinc/79/22/61/719792261.db2.gz IGQHNHLWRMNZTE-UHFFFAOYSA-N 1 0 397.523 2.739 20 0 GFADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2cc4c(cn2)NC(=O)C4)CC3)cs1 ZINC001164691475 719805547 /nfs/dbraw/zinc/80/55/47/719805547.db2.gz HZCVWSOPAJLJHA-UHFFFAOYSA-N 1 0 383.521 2.976 20 0 GFADRO Cn1cc([C@H]2COC3(C2)CCN(c2ncccc2C[NH+]2CCCC2)CC3)cn1 ZINC001164699587 719827195 /nfs/dbraw/zinc/82/71/95/719827195.db2.gz XQZYXPXLZCBUMW-LJQANCHMSA-N 1 0 381.524 2.954 20 0 GFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ncc(Cl)cc1C(=O)OC)C2 ZINC001164814200 720076047 /nfs/dbraw/zinc/07/60/47/720076047.db2.gz VXDDYIJFJXEHGO-MGPUTAFESA-N 1 0 393.915 2.706 20 0 GFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nccc(Cl)c1C(=O)OC)C2 ZINC001164805917 720076454 /nfs/dbraw/zinc/07/64/54/720076454.db2.gz AUKNZTBBUUVDND-FOIQADDNSA-N 1 0 393.915 2.706 20 0 GFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1ccc(Cl)nn1)C2 ZINC001164806397 720085854 /nfs/dbraw/zinc/08/58/54/720085854.db2.gz CBBAGLZDWCUNLD-PBHICJAKSA-N 1 0 386.874 2.860 20 0 GFADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncnc(C)c1C)CC2 ZINC001164718551 720112518 /nfs/dbraw/zinc/11/25/18/720112518.db2.gz SAUTVVHFEYIRPB-HXUWFJFHSA-N 1 0 381.524 2.996 20 0 GFADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(C)cc(OC)n1)CC2 ZINC001164718011 720114891 /nfs/dbraw/zinc/11/48/91/720114891.db2.gz QBCNFOJZXJBMHX-LJQANCHMSA-N 1 0 397.523 2.696 20 0 GFADRO Cn1nnc2c1CCN(c1cc3ccccc3cn1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164714018 720172742 /nfs/dbraw/zinc/17/27/42/720172742.db2.gz NJDFRWZDGXXQHH-HXUWFJFHSA-N 1 0 392.507 2.580 20 0 GFADRO Cc1nc(Cl)c(N2CCCn3c(=O)cc(C[N@@H+](C)C(C)C)nc3C2)nc1C ZINC001164814011 720223762 /nfs/dbraw/zinc/22/37/62/720223762.db2.gz QYCTUXINDFUANH-UHFFFAOYSA-N 1 0 390.919 2.554 20 0 GFADRO Cc1cccc2ncnc(N3CCCn4c(=O)cc(C[N@@H+](C)C(C)C)nc4C3)c12 ZINC001164814900 720224741 /nfs/dbraw/zinc/22/47/41/720224741.db2.gz ZTQVPALSNGQJFJ-UHFFFAOYSA-N 1 0 392.507 2.745 20 0 GFADRO Cc1nc2sccc2c(N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164816941 720286438 /nfs/dbraw/zinc/28/64/38/720286438.db2.gz ACHLFUREYAMOJG-ROUUACIJSA-N 1 0 399.564 2.911 20 0 GFADRO Cc1cc(Cl)cc(N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164827780 720293614 /nfs/dbraw/zinc/29/36/14/720293614.db2.gz YBFHQVMWKZLARS-MSOLQXFVSA-N 1 0 376.932 2.955 20 0 GFADRO Cc1ccc(Cl)c(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164819271 720303773 /nfs/dbraw/zinc/30/37/73/720303773.db2.gz DFKQGQTVBLDFFH-ZWKOTPCHSA-N 1 0 376.932 2.955 20 0 GFADRO Cc1cccc2ncc(N3CC[C@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)nc12 ZINC001164820707 720313255 /nfs/dbraw/zinc/31/32/55/720313255.db2.gz IDESMEHBEPJIIL-UXHICEINSA-N 1 0 393.535 2.850 20 0 GFADRO COc1cc(Cl)nc(N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c1 ZINC001164823845 720314254 /nfs/dbraw/zinc/31/42/54/720314254.db2.gz QGRCSAICBSGNKA-IRXDYDNUSA-N 1 0 392.931 2.655 20 0 GFADRO CC(C)(C)C(=O)Nc1ccc(N2CC[C@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)nn1 ZINC001164723765 720381920 /nfs/dbraw/zinc/38/19/20/720381920.db2.gz HFWWXQHYBWIBOK-IRXDYDNUSA-N 1 0 380.496 2.709 20 0 GFADRO Cc1nc2[nH]ccc2c(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)n1 ZINC001164835245 720520405 /nfs/dbraw/zinc/52/04/05/720520405.db2.gz JGPOQAWZWAHHAD-YQVWRLOYSA-N 1 0 379.512 2.841 20 0 GFADRO Cc1nc(Cl)cc(C(F)(F)N2CCc3ncc(C[NH+]4CCCC4)n3CC2)n1 ZINC001164732939 720553754 /nfs/dbraw/zinc/55/37/54/720553754.db2.gz FZFQXJCXDZMOIG-UHFFFAOYSA-N 1 0 396.873 2.838 20 0 GFADRO Clc1nc2c(c(N3CCc4ncc(C[NH+]5CCCC5)n4CC3)n1)CCCC2 ZINC001164732675 720555784 /nfs/dbraw/zinc/55/57/84/720555784.db2.gz CVVPPRZBTWCMKF-UHFFFAOYSA-N 1 0 386.931 2.864 20 0 GFADRO CC(C)[N@H+]1[C@@H]2CCN(c3ncc4ncsc4n3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164834688 720563237 /nfs/dbraw/zinc/56/32/37/720563237.db2.gz FSIRMUHYOZALMX-YQQAZPJKSA-N 1 0 383.525 2.661 20 0 GFADRO CSc1cnc(Cl)nc1N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001164729650 720566974 /nfs/dbraw/zinc/56/69/74/720566974.db2.gz SFFWBROKHXHCLI-UHFFFAOYSA-N 1 0 378.933 2.707 20 0 GFADRO CCN(CC)c1cc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)ncn1 ZINC001164839291 720572845 /nfs/dbraw/zinc/57/28/45/720572845.db2.gz PUOYNSNTLSNIIH-VAMGGRTRSA-N 1 0 397.571 2.897 20 0 GFADRO CCN(CC)c1cncc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)n1 ZINC001164840827 720573659 /nfs/dbraw/zinc/57/36/59/720573659.db2.gz UDPRIGDJKVLOLF-HSALFYBXSA-N 1 0 397.571 2.897 20 0 GFADRO COC(=O)c1ccc(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)nn1 ZINC001164842570 720668919 /nfs/dbraw/zinc/66/89/19/720668919.db2.gz RZIARVQRUTZXHT-SFHVURJKSA-N 1 0 396.491 2.523 20 0 GFADRO F[C@H](Oc1ccc(Cl)nn1)N1CCCn2cnc(C[NH2+]C3CCC3)c2C1 ZINC001164844374 720740820 /nfs/dbraw/zinc/74/08/20/720740820.db2.gz QLHKQILRWRBZTD-KRWDZBQOSA-N 1 0 380.855 2.506 20 0 GFADRO Cc1nc(C2CCCCC2)cc(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)n1 ZINC001164737532 720748387 /nfs/dbraw/zinc/74/83/87/720748387.db2.gz CFANVAIVCBUVEB-RBUKOAKNSA-N 1 0 394.523 2.965 20 0 GFADRO c1cc2ncnc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c2s1 ZINC001164747293 720811032 /nfs/dbraw/zinc/81/10/32/720811032.db2.gz MZNBCFLNUSXRAP-JFIYKMOQSA-N 1 0 395.536 2.662 20 0 GFADRO CC(C)c1ccc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nn1 ZINC001164737441 720823552 /nfs/dbraw/zinc/82/35/52/720823552.db2.gz BFDQRSSRIJSCRL-WSTZPKSXSA-N 1 0 381.528 2.571 20 0 GFADRO COC[C@]12CCCO[C@@H]1CCN(c1cccc(OCC[NH+]3CCCC3)n1)C2 ZINC001164846005 720827231 /nfs/dbraw/zinc/82/72/31/720827231.db2.gz CIRTXKCGQIVQIP-WIYYLYMNSA-N 1 0 375.513 2.578 20 0 GFADRO COCC[N@@H+]1CCO[C@H]2CN(C(F)(F)c3ccnc(Cl)c3F)CC[C@H]2C1 ZINC001164850856 720835230 /nfs/dbraw/zinc/83/52/30/720835230.db2.gz FNFCTBVSRQQXDM-JSGCOSHPSA-N 1 0 393.837 2.593 20 0 GFADRO Cc1cc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc2[nH]ccc21 ZINC001164745197 720838144 /nfs/dbraw/zinc/83/81/44/720838144.db2.gz MOJSUWSUGBWZAT-WSTZPKSXSA-N 1 0 391.523 2.842 20 0 GFADRO COCC[N@@H+]1CCO[C@@H]2CN(c3csc4ncnc(Cl)c34)CC[C@@H]2C1 ZINC001164856459 720848458 /nfs/dbraw/zinc/84/84/58/720848458.db2.gz WRKOYUDTBYRLMP-TZMCWYRMSA-N 1 0 382.917 2.518 20 0 GFADRO COCC[N@@H+]1CCO[C@H]2CN(c3nc4ccc(C)cc4nc3Cl)CC[C@@H]2C1 ZINC001164858338 720851473 /nfs/dbraw/zinc/85/14/73/720851473.db2.gz ZQIHYLHRSXPSPK-QAPCUYQASA-N 1 0 390.915 2.765 20 0 GFADRO COCC[N@@H+]1CCO[C@H]2CN(c3nc(C)nc4c5ccccc5oc43)CC[C@@H]2C1 ZINC001164856046 720864569 /nfs/dbraw/zinc/86/45/69/720864569.db2.gz NZNAJLGNQTTZON-APWZRJJASA-N 1 0 396.491 2.858 20 0 GFADRO COCC[N@@H+]1CCO[C@@H]2CN(c3cccc(OCc4ccccc4)n3)CC[C@@H]2C1 ZINC001164860873 720867566 /nfs/dbraw/zinc/86/75/66/720867566.db2.gz WWWUKEHIAOLWNF-NHCUHLMSSA-N 1 0 397.519 2.834 20 0 GFADRO COCC[N@@H+]1CCO[C@H]2CN(c3nc(CC(C)C)nc(Cl)c3C)CC[C@@H]2C1 ZINC001164853861 720886816 /nfs/dbraw/zinc/88/68/16/720886816.db2.gz DCIWVQMQIMIDOR-SJORKVTESA-N 1 0 396.963 2.810 20 0 GFADRO COCC[N@@H+]1CCO[C@H]2CN(c3nc(C4CCC4)nc(Cl)c3C)CC[C@@H]2C1 ZINC001164865085 720888024 /nfs/dbraw/zinc/88/80/24/720888024.db2.gz YEBNFWWIQYNJSI-SJORKVTESA-N 1 0 394.947 2.879 20 0 GFADRO COC(=O)c1nc(Cl)cnc1N1CCn2c(C[N@H+](C)C(C)C)cnc2[C@H]1C ZINC001164863273 720964320 /nfs/dbraw/zinc/96/43/20/720964320.db2.gz ZLKMSJDDOZGWRN-GFCCVEGCSA-N 1 0 392.891 2.535 20 0 GFADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1cc(C(=O)N3CCCC3)ccn1)[C@H]2C ZINC001164858034 720983992 /nfs/dbraw/zinc/98/39/92/720983992.db2.gz GNJOHONNUBQQRE-KRWDZBQOSA-N 1 0 396.539 2.936 20 0 GFADRO CN(C)C(=O)NC[C@@H]1OC[C@H]2CC[N@@H+](C(C)(C)c3ccnc(Cl)c3)C[C@@H]12 ZINC001164757583 721000937 /nfs/dbraw/zinc/00/09/37/721000937.db2.gz PHSOSWBJRGSCKD-BMFZPTHFSA-N 1 0 380.920 2.578 20 0 GFADRO Cc1nc2ccsc2c(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164871489 721042784 /nfs/dbraw/zinc/04/27/84/721042784.db2.gz ZDZLDKHHFARPTP-IRXDYDNUSA-N 1 0 381.505 2.874 20 0 GFADRO Cc1ccc2ncnc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)c2c1 ZINC001164868338 721065906 /nfs/dbraw/zinc/06/59/06/721065906.db2.gz NWHFIFAVRSLGOY-RBUKOAKNSA-N 1 0 375.476 2.813 20 0 GFADRO Cc1cccc2c1ncnc2N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164867141 721066213 /nfs/dbraw/zinc/06/62/13/721066213.db2.gz ILOOLXCABQVHNT-MOPGFXCFSA-N 1 0 375.476 2.813 20 0 GFADRO Clc1cnc(Cl)c(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164866342 721080918 /nfs/dbraw/zinc/08/09/18/721080918.db2.gz SNLRMCYCNTXVII-KBPBESRZSA-N 1 0 380.279 2.658 20 0 GFADRO F[C@H](Oc1cccc(Cl)n1)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164865656 721089023 /nfs/dbraw/zinc/08/90/23/721089023.db2.gz OBWBCOMFVSSCDY-GJYPPUQNSA-N 1 0 392.862 2.737 20 0 GFADRO Clc1nc(N2CCOCC2)nc(Cl)c1N1CC2(C1)CC[N@H+](CC1CC1)C2 ZINC001164774250 721291302 /nfs/dbraw/zinc/29/13/02/721291302.db2.gz YDYCZSRMBPHOHJ-UHFFFAOYSA-N 1 0 398.338 2.542 20 0 GFADRO Cc1ccc2ncnc(N3CC[C@@]4(C3)CCC[C@@H](C[NH+]3CCN(C)CC3)O4)c2c1 ZINC001164894523 721396596 /nfs/dbraw/zinc/39/65/96/721396596.db2.gz YPEIYORMJNQONN-WMZHIEFXSA-N 1 0 395.551 2.704 20 0 GFADRO Cc1nc(N2CC[C@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)ccc1Cl ZINC001164883516 721403193 /nfs/dbraw/zinc/40/31/93/721403193.db2.gz ALOPDCIKGKABTA-PXNSSMCTSA-N 1 0 378.948 2.809 20 0 GFADRO CSc1cnc(N2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)c(C)c1 ZINC001164895847 721429943 /nfs/dbraw/zinc/42/99/43/721429943.db2.gz QHCOVOHTYWHCHH-WIYYLYMNSA-N 1 0 390.597 2.877 20 0 GFADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4cc(C(C)(C)C)ncn4)C3)O2)CC1 ZINC001164894435 721434199 /nfs/dbraw/zinc/43/41/99/721434199.db2.gz MPTWPYGKSSNAGN-XMSQKQJNSA-N 1 0 387.572 2.540 20 0 GFADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncc(C)nc1C)CC2 ZINC001164786478 721450919 /nfs/dbraw/zinc/45/09/19/721450919.db2.gz MRUBLLSRPNAYBN-FQEVSTJZSA-N 1 0 388.556 2.827 20 0 GFADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ccc(Cl)nn1)CC2 ZINC001164784348 721452875 /nfs/dbraw/zinc/45/28/75/721452875.db2.gz FAILLBUWXIKPQN-KRWDZBQOSA-N 1 0 394.947 2.864 20 0 GFADRO Cc1c[nH]c2ncnc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@H]4OCCC[C@H]43)c12 ZINC001164794401 721524504 /nfs/dbraw/zinc/52/45/04/721524504.db2.gz CVQBVANBSKPOHM-AOIWGVFYSA-N 1 0 378.480 2.530 20 0 GFADRO CCOC(=O)c1ccnc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)c1 ZINC001164804437 721530372 /nfs/dbraw/zinc/53/03/72/721530372.db2.gz JQXMJJXHZAVCGP-ZJOUEHCJSA-N 1 0 396.491 2.522 20 0 GFADRO COC(=O)c1cc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)ncc1C ZINC001164905873 721540884 /nfs/dbraw/zinc/54/08/84/721540884.db2.gz JLDUBFLZYMMVET-AEFFLSMTSA-N 1 0 385.439 2.658 20 0 GFADRO CCN(CC)c1cc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)ncn1 ZINC001164910976 721545339 /nfs/dbraw/zinc/54/53/39/721545339.db2.gz UVGYUGWNJRKVMA-MJGOQNOKSA-N 1 0 385.487 2.804 20 0 GFADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)c(F)cc2N)[C@@H]2CCCO[C@H]12 ZINC001164803006 721569450 /nfs/dbraw/zinc/56/94/50/721569450.db2.gz JCCROBSYIQHJLH-ZACQAIPSSA-N 1 0 391.878 2.720 20 0 GFADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@H]3CN(CCOC)C(=O)[C@@H]3C2)nc1 ZINC001164900899 721576118 /nfs/dbraw/zinc/57/61/18/721576118.db2.gz AXCNMEPHCPRFRM-VAMGGRTRSA-N 1 0 386.540 2.560 20 0 GFADRO COc1ncc(F)c(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)n1 ZINC001164907935 721701487 /nfs/dbraw/zinc/70/14/87/721701487.db2.gz WTCXUZXGRGAJHB-GOSISDBHSA-N 1 0 393.413 2.757 20 0 GFADRO CCOc1ccc2ncnc(N3CCCC34CC[NH+](CC(=O)N(C)C)CC4)c2c1 ZINC001165011103 721739577 /nfs/dbraw/zinc/73/95/77/721739577.db2.gz LGPKOOCMXWSLSJ-UHFFFAOYSA-N 1 0 397.523 2.552 20 0 GFADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2ccc3nccc(Cl)c3n2)CC1 ZINC001165009254 721743345 /nfs/dbraw/zinc/74/33/45/721743345.db2.gz ALNCIWBPDRZVDQ-UHFFFAOYSA-N 1 0 387.915 2.806 20 0 GFADRO CNC(=O)c1ccnc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001165024171 721818844 /nfs/dbraw/zinc/81/88/44/721818844.db2.gz JLNRWMQMINAWJZ-IHPCNDPISA-N 1 0 379.508 2.573 20 0 GFADRO COc1cc(C)nc(N(C)C2CC[NH+](Cc3c(OC)cccc3OC)CC2)n1 ZINC001165019355 721840187 /nfs/dbraw/zinc/84/01/87/721840187.db2.gz FACAUYGTQBDIPM-UHFFFAOYSA-N 1 0 386.496 2.912 20 0 GFADRO CCOc1nccnc1N(C)C1CC[NH+](Cc2c(OC)cccc2OC)CC1 ZINC001165029730 721844677 /nfs/dbraw/zinc/84/46/77/721844677.db2.gz ATFYZQHIDNQFRP-UHFFFAOYSA-N 1 0 386.496 2.993 20 0 GFADRO COc1ccc2nc(N3CC[C@@H]4[C@H]3CCN4CC[NH+](C)C)c(Cl)nc2c1 ZINC001164926234 721859622 /nfs/dbraw/zinc/85/96/22/721859622.db2.gz IAOAEEVALFODOL-IAGOWNOFSA-N 1 0 375.904 2.506 20 0 GFADRO COc1ccc(Oc2cc(N3CC[C@H]4[C@H]3CCN4CC[NH+](C)C)nc(C)n2)cc1 ZINC001164935471 721886559 /nfs/dbraw/zinc/88/65/59/721886559.db2.gz WXNYPGKSIUUTNJ-VQTJNVASSA-N 1 0 397.523 2.801 20 0 GFADRO c1cn(Cc2ccccc2)c2ncnc(N3CC[NH+](C[C@H]4CCCO4)CC3)c12 ZINC001165038192 721911359 /nfs/dbraw/zinc/91/13/59/721911359.db2.gz LBROSCFYCGUMRL-LJQANCHMSA-N 1 0 377.492 2.781 20 0 GFADRO CC[C@@H]1C(=O)Nc2cnc(N(C)CC3CC[NH+](C)CC3)nc2N1C1CCCC1 ZINC001165041497 721933617 /nfs/dbraw/zinc/93/36/17/721933617.db2.gz ZZRHYFQLYWKPPI-GOSISDBHSA-N 1 0 386.544 2.734 20 0 GFADRO COc1ccc(-c2ccc(N(C)CC3CC[NH+](C)CC3)nn2)c(OC)c1OC ZINC001165043672 721938417 /nfs/dbraw/zinc/93/84/17/721938417.db2.gz AHOYBRLWPKARBH-UHFFFAOYSA-N 1 0 386.496 2.947 20 0 GFADRO O=C(NC1CC1)c1ccc(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)nc1 ZINC001164953765 722018117 /nfs/dbraw/zinc/01/81/17/722018117.db2.gz YNPHGDOIGJEMCI-UHFFFAOYSA-N 1 0 391.519 2.861 20 0 GFADRO CSc1nccc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)n1 ZINC001164959468 722052512 /nfs/dbraw/zinc/05/25/12/722052512.db2.gz KNXYRNRVATYUCG-UHFFFAOYSA-N 1 0 385.537 2.713 20 0 GFADRO COc1cnc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c(Cl)c1 ZINC001164980249 722129943 /nfs/dbraw/zinc/12/99/43/722129943.db2.gz MDQVDDJOWDSJJT-LPHOPBHVSA-N 1 0 388.899 2.866 20 0 GFADRO FC(F)c1ccnc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164982097 722135811 /nfs/dbraw/zinc/13/58/11/722135811.db2.gz QZQOZVTVRSVGJA-NVXWUHKLSA-N 1 0 375.423 2.537 20 0 GFADRO Cc1cc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)nc(C2CC2)n1 ZINC001164983326 722147229 /nfs/dbraw/zinc/14/72/29/722147229.db2.gz UDKRMKKRCCUUIB-WOJBJXKFSA-N 1 0 379.508 2.785 20 0 GFADRO c1cncc(C[N@@H+]2CCO[C@@H]3CN(c4cc(C5CCC5)ncn4)CC[C@H]3C2)c1 ZINC001164980913 722150092 /nfs/dbraw/zinc/15/00/92/722150092.db2.gz NTKUJVLSABBTFX-PZJWPPBQSA-N 1 0 379.508 2.866 20 0 GFADRO COc1ccnc(Cl)c1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164982071 722150900 /nfs/dbraw/zinc/15/09/00/722150900.db2.gz QXOVAIGSUNHWHA-FUHWJXTLSA-N 1 0 388.899 2.866 20 0 GFADRO CSc1ncc(Cl)c(N2CCCn3cnc(COCC[NH+](C)C)c3C2)n1 ZINC001165000882 722251562 /nfs/dbraw/zinc/25/15/62/722251562.db2.gz VYUVEURLIDKARC-UHFFFAOYSA-N 1 0 396.948 2.537 20 0 GFADRO C[NH+](C)CCOCc1ncn2c1CN(c1nc3[nH]ccc3cc1Cl)CCC2 ZINC001165002963 722254476 /nfs/dbraw/zinc/25/44/76/722254476.db2.gz YUDHFSOSQRBFHM-UHFFFAOYSA-N 1 0 388.903 2.853 20 0 GFADRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)Nc2nnc(C(F)(F)F)s2)C1 ZINC000472774131 531240139 /nfs/dbraw/zinc/24/01/39/531240139.db2.gz RQTVLZVBLCCDTP-SNVBAGLBSA-N 1 0 381.424 2.522 20 0 GFADRO CCOC(=O)c1nc(NC[C@H]2CCC[N@@H+]2CCOC)ccc1Br ZINC000603287555 532088543 /nfs/dbraw/zinc/08/85/43/532088543.db2.gz BYEMGHJZFZENRY-GFCCVEGCSA-N 1 0 386.290 2.544 20 0 GFADRO CCOC(=O)c1c(C)[nH]c(C(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)c1C ZINC000014072504 204522480 /nfs/dbraw/zinc/52/24/80/204522480.db2.gz WNQHWKLCZNFSOC-MRXNPFEDSA-N 1 0 375.444 2.980 20 0 GFADRO CC(=O)NCC1CC[NH+](CCC(=O)Nc2ccc(Br)cc2)CC1 ZINC000047773728 205110663 /nfs/dbraw/zinc/11/06/63/205110663.db2.gz ULZQPDAADIMZAC-UHFFFAOYSA-N 1 0 382.302 2.626 20 0 GFADRO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)COc2ccc(N3CCCC3=O)cc2)C1 ZINC000053392435 205136138 /nfs/dbraw/zinc/13/61/38/205136138.db2.gz BZNUKFCUNRQJOW-KRWDZBQOSA-N 1 0 387.524 2.819 20 0 GFADRO C[C@@H]([NH2+][C@@H]1CCCN(S(C)(=O)=O)C1)c1ccc(F)c(Br)c1 ZINC000400155705 563534369 /nfs/dbraw/zinc/53/43/69/563534369.db2.gz DNVPNGHAZIFNOR-ZYHUDNBSSA-N 1 0 379.295 2.663 20 0 GFADRO COc1ccc(S(=O)(=O)N2CCCC[C@H]2C[NH+](C)C)cc1Br ZINC000405079530 563538225 /nfs/dbraw/zinc/53/82/25/563538225.db2.gz KOKMVZRVFFHHEP-LBPRGKRZSA-N 1 0 391.331 2.563 20 0 GFADRO CO[C@@H]1CCC[C@@H]1C[NH2+][C@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430707651 563548121 /nfs/dbraw/zinc/54/81/21/563548121.db2.gz QFASAMKCEFWWRU-MPKXVKKWSA-N 1 0 391.331 2.562 20 0 GFADRO COc1ccc([C@@H](C)[NH2+]CC(=O)NC(=O)NC2CCCC2)cc1Br ZINC000007879384 551101953 /nfs/dbraw/zinc/10/19/53/551101953.db2.gz DWLARJKOVZJPBO-LLVKDONJSA-N 1 0 398.301 2.877 20 0 GFADRO C[NH+]1CCN(c2ccc(NC(=O)c3ccccc3Br)cn2)CC1 ZINC000020372824 551115665 /nfs/dbraw/zinc/11/56/65/551115665.db2.gz NGMGKFPYEDBRCX-UHFFFAOYSA-N 1 0 375.270 2.848 20 0 GFADRO C[NH+]1CCN(c2ccc(NC(=O)c3csc(Br)c3)cn2)CC1 ZINC000024444661 551118592 /nfs/dbraw/zinc/11/85/92/551118592.db2.gz MGYZDHAEYZNCRH-UHFFFAOYSA-N 1 0 381.299 2.910 20 0 GFADRO O=S(=O)(NC[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(Br)cc1Cl ZINC000040433560 551134496 /nfs/dbraw/zinc/13/44/96/551134496.db2.gz DSXIJKWNAZABPO-JTQLQIEISA-N 1 0 393.734 2.865 20 0 GFADRO CC(C)[N@H+](C)CCCNC(=O)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000041929297 551136637 /nfs/dbraw/zinc/13/66/37/551136637.db2.gz NAYZROYSZKFKIT-CQSZACIVSA-N 1 0 396.329 2.649 20 0 GFADRO CC(C)[C@@H](CNC(=O)COc1cc(Cl)ccc1Cl)[NH+]1CCN(C)CC1 ZINC000042580574 551139427 /nfs/dbraw/zinc/13/94/27/551139427.db2.gz LIMLJXIURRYDOL-MRXNPFEDSA-N 1 0 388.339 2.760 20 0 GFADRO CC[NH+]1CCN(CCNC(=O)c2csc(-c3ccc(Cl)cc3)n2)CC1 ZINC000042591222 551139844 /nfs/dbraw/zinc/13/98/44/551139844.db2.gz WLEJSELPTHEFEP-UHFFFAOYSA-N 1 0 378.929 2.831 20 0 GFADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)NCc2cc(Br)cs2)C1 ZINC000043821175 551142768 /nfs/dbraw/zinc/14/27/68/551142768.db2.gz KSLRTMURXXHWJR-CYBMUJFWSA-N 1 0 390.347 2.667 20 0 GFADRO C[NH+]1CCN(CCCNC(=O)C2(c3ccc(Br)cc3)CCC2)CC1 ZINC000044020371 551143076 /nfs/dbraw/zinc/14/30/76/551143076.db2.gz VGOABSGHWPKSCD-UHFFFAOYSA-N 1 0 394.357 2.625 20 0 GFADRO Cc1cc(Br)oc1C(=O)Nc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000045058792 551145570 /nfs/dbraw/zinc/14/55/70/551145570.db2.gz CDFOVYNTPURVLM-UHFFFAOYSA-N 1 0 379.258 2.750 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000049299028 551158697 /nfs/dbraw/zinc/15/86/97/551158697.db2.gz LHSBHSSIGWLCFB-UHFFFAOYSA-N 1 0 396.329 2.934 20 0 GFADRO CN1CCC([NH+]2CCC(NC(=O)c3csc(Br)c3)CC2)CC1 ZINC000050798928 551161595 /nfs/dbraw/zinc/16/15/95/551161595.db2.gz RBJJOXRYOUOXHT-UHFFFAOYSA-N 1 0 386.359 2.799 20 0 GFADRO C[NH+](C)Cc1ccc(NC(=O)CNC(=O)c2ccc(Br)s2)cc1 ZINC000051084770 551162105 /nfs/dbraw/zinc/16/21/05/551162105.db2.gz MUAQDYLIQUDGPD-UHFFFAOYSA-N 1 0 396.310 2.941 20 0 GFADRO C[NH+](C)CCNC(=O)C1CCN(C(=O)Nc2ccc(Cl)cc2Cl)CC1 ZINC000051535818 551163329 /nfs/dbraw/zinc/16/33/29/551163329.db2.gz LCFHXRWENDQLLZ-UHFFFAOYSA-N 1 0 387.311 2.915 20 0 GFADRO FC(F)(F)COCCC[NH+]1CCN(c2ccc(Br)cn2)CC1 ZINC000053608818 551166866 /nfs/dbraw/zinc/16/68/66/551166866.db2.gz DFYTZUJCGRYOTO-UHFFFAOYSA-N 1 0 382.224 2.935 20 0 GFADRO CCC[N@@H+]1CC[C@H](CNC(=O)N2CCN(Cc3ccc(Cl)s3)CC2)C1 ZINC000054510160 551169274 /nfs/dbraw/zinc/16/92/74/551169274.db2.gz FPBSTFHVKMIZEJ-OAHLLOKOSA-N 1 0 384.977 2.961 20 0 GFADRO CCC(=O)N[C@H](CCSC)C(=O)NC[C@@H](c1ccsc1)[NH+](CC)CC ZINC000054776406 551170275 /nfs/dbraw/zinc/17/02/75/551170275.db2.gz GQRRTVJSDVQPOD-CVEARBPZSA-N 1 0 385.599 2.895 20 0 GFADRO CCC(=O)N[C@H](CCSC)C(=O)NC[C@H](c1ccsc1)[NH+](CC)CC ZINC000054776408 551170381 /nfs/dbraw/zinc/17/03/81/551170381.db2.gz GQRRTVJSDVQPOD-HZPDHXFCSA-N 1 0 385.599 2.895 20 0 GFADRO C[C@H](CNC(=O)[C@H]1CCCN1C(=O)c1ccc(Cl)s1)C[NH+]1CCCC1 ZINC000056984654 551178601 /nfs/dbraw/zinc/17/86/01/551178601.db2.gz NHQJMOFKBUOAFQ-ZIAGYGMSSA-N 1 0 383.945 2.854 20 0 GFADRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)c1cnn(-c2ccc(Br)cc2)c1 ZINC000058299988 551182877 /nfs/dbraw/zinc/18/28/77/551182877.db2.gz OCXBPSZGXSTSES-DLBZAZTESA-N 1 0 389.297 2.991 20 0 GFADRO C[N@H+](CCNC(=O)C(=O)Nc1cccc(Br)c1)Cc1ccccc1 ZINC000067380245 551188088 /nfs/dbraw/zinc/18/80/88/551188088.db2.gz WLEFLBKTHHEULE-UHFFFAOYSA-N 1 0 390.281 2.636 20 0 GFADRO CC(C)OCC[NH+]1CCN(Cc2cnc3ccc(Br)cn23)CC1 ZINC000093586335 551195299 /nfs/dbraw/zinc/19/52/99/551195299.db2.gz XUJVVTNEEONDBS-UHFFFAOYSA-N 1 0 381.318 2.639 20 0 GFADRO CCNC(=O)C[NH2+]Cc1cc(Br)c(OC(F)F)c(OCC)c1 ZINC000101589488 551196919 /nfs/dbraw/zinc/19/69/19/551196919.db2.gz UTXFVWWNQKSJQO-UHFFFAOYSA-N 1 0 381.217 2.675 20 0 GFADRO COCC[C@H](C)[NH2+]Cc1cc(I)c(OC)c(OC)c1 ZINC000101597414 551197119 /nfs/dbraw/zinc/19/71/19/551197119.db2.gz ILTVFYINEHHDKU-JTQLQIEISA-N 1 0 379.238 2.823 20 0 GFADRO Cc1ccc(NC(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)cc1Br ZINC000120360011 551219875 /nfs/dbraw/zinc/21/98/75/551219875.db2.gz QFLJCOVBAPGSSX-BBRMVZONSA-N 1 0 394.313 2.639 20 0 GFADRO C[C@@H](C[NH2+]Cc1nc(-c2ccc(Br)cc2)c[nH]1)CN1CCOCC1 ZINC000120358646 551220268 /nfs/dbraw/zinc/22/02/68/551220268.db2.gz GRHGFNBCINATAA-AWEZNQCLSA-N 1 0 393.329 2.897 20 0 GFADRO CC(C)c1cc(Br)ccc1NC(=O)C(=O)N(C)CCC[NH+](C)C ZINC000121062911 551226276 /nfs/dbraw/zinc/22/62/76/551226276.db2.gz SBSBZWPWLLPCPR-UHFFFAOYSA-N 1 0 384.318 2.921 20 0 GFADRO CCN(CCC[NH2+][C@H](C)c1ccc(OC)c(Br)c1)S(C)(=O)=O ZINC000121558138 551236786 /nfs/dbraw/zinc/23/67/86/551236786.db2.gz QJEQZMSEULROBP-GFCCVEGCSA-N 1 0 393.347 2.780 20 0 GFADRO CN(C)c1ncccc1NC(=O)Cc1cccc(I)c1 ZINC000121850401 551243949 /nfs/dbraw/zinc/24/39/49/551243949.db2.gz ZFMLYLBEVULEMS-UHFFFAOYSA-N 1 0 381.217 2.933 20 0 GFADRO O=C(NCc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1cc(Br)c[nH]1 ZINC000121878487 551244991 /nfs/dbraw/zinc/24/49/91/551244991.db2.gz JXUAQGNBCLOCQW-MRXNPFEDSA-N 1 0 392.297 2.664 20 0 GFADRO C[C@H](CNC(=O)/C=C/c1ccc(Br)s1)C[NH+]1CCN(C)CC1 ZINC000121946673 551293145 /nfs/dbraw/zinc/29/31/45/551293145.db2.gz BBNOUJOTLXBVRK-DIECRNLCSA-N 1 0 386.359 2.524 20 0 GFADRO C[C@H](CNC(=O)/C=C/c1cc(Br)ccc1F)C[NH+]1CCN(C)CC1 ZINC000121958022 551293267 /nfs/dbraw/zinc/29/32/67/551293267.db2.gz NYIOXEKVXHAQMO-BOTMBNHJSA-N 1 0 398.320 2.601 20 0 GFADRO COc1cccc(C[NH2+]CCNS(=O)(=O)c2cccs2)c1OC(C)C ZINC000122218386 551295809 /nfs/dbraw/zinc/29/58/09/551295809.db2.gz LLQHORMBQRSAMH-UHFFFAOYSA-N 1 0 384.523 2.612 20 0 GFADRO O=S(=O)(NCC[NH2+]Cc1cccc(OCC(F)(F)F)c1)c1cccs1 ZINC000122238042 551296215 /nfs/dbraw/zinc/29/62/15/551296215.db2.gz QDGNDGXGZTWXFU-UHFFFAOYSA-N 1 0 394.440 2.757 20 0 GFADRO C[C@H]1C[C@H](N(C)C(=O)Cc2cc3c(cc2Br)OCCO3)CC[N@@H+]1C ZINC000123110266 551303208 /nfs/dbraw/zinc/30/32/08/551303208.db2.gz PQIYLXLJPWQNIG-GXTWGEPZSA-N 1 0 397.313 2.704 20 0 GFADRO Cc1ccc(Br)c(NC(=O)C(=O)NCC[N@H+]2CCC[C@@H](C)C2)c1 ZINC000123384773 551305884 /nfs/dbraw/zinc/30/58/84/551305884.db2.gz GOWCZJXQCLEHCU-CYBMUJFWSA-N 1 0 382.302 2.544 20 0 GFADRO O=C(NCC[NH+]1CCCCCC1)C(=O)Nc1ccc(Br)cc1F ZINC000123887429 551309907 /nfs/dbraw/zinc/30/99/07/551309907.db2.gz XQURTHUVLKLZQF-UHFFFAOYSA-N 1 0 386.265 2.519 20 0 GFADRO O=C(NCC[NH+]1CCCCCC1)C(=O)Nc1ccc(F)cc1Br ZINC000123890799 551309956 /nfs/dbraw/zinc/30/99/56/551309956.db2.gz QDTRQNIRSMLBII-UHFFFAOYSA-N 1 0 386.265 2.519 20 0 GFADRO Cc1cc(N2CCC[C@H]([NH2+][C@H](C)CC(=O)N(C)C)C2=O)ccc1Br ZINC000124114021 551310322 /nfs/dbraw/zinc/31/03/22/551310322.db2.gz NAFLKNGZHAANPY-CJNGLKHVSA-N 1 0 396.329 2.709 20 0 GFADRO COC(=O)c1sc2ccccc2c1S(=O)(=O)N[C@](C)(C[NH3+])CC(C)C ZINC000124464992 551315296 /nfs/dbraw/zinc/31/52/96/551315296.db2.gz MXQSPGKCAIGARU-KRWDZBQOSA-N 1 0 384.523 2.730 20 0 GFADRO COc1cccc([C@H](CNC(=O)c2ccncc2Br)[NH+](C)C)c1 ZINC000124585809 551315947 /nfs/dbraw/zinc/31/59/47/551315947.db2.gz KQRZUUXRZQMIDM-INIZCTEOSA-N 1 0 378.270 2.885 20 0 GFADRO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@H](C(N)=O)c1ccccc1 ZINC000125955313 551324910 /nfs/dbraw/zinc/32/49/10/551324910.db2.gz NVVLDKYHSLMFDJ-PXAZEXFGSA-N 1 0 390.281 2.982 20 0 GFADRO O=C(NC[C@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1)c1nc(Cl)ccc1Cl ZINC000127138975 551337091 /nfs/dbraw/zinc/33/70/91/551337091.db2.gz YLMBZNSFRLSBPB-ZIAGYGMSSA-N 1 0 380.275 2.754 20 0 GFADRO CCO[C@@H](CC[NH+](C)C)CNC(=O)c1c(F)cc(Br)cc1F ZINC000127545579 551341987 /nfs/dbraw/zinc/34/19/87/551341987.db2.gz SKCMZBIMVSAXOP-NSHDSACASA-N 1 0 379.245 2.814 20 0 GFADRO C[NH+]1CCC(CNC(=O)[C@H]2CC(=O)N(c3cc(Cl)cc(Cl)c3)C2)CC1 ZINC000127624040 551342363 /nfs/dbraw/zinc/34/23/63/551342363.db2.gz VDYZLAUYHNYPAO-ZDUSSCGKSA-N 1 0 384.307 2.804 20 0 GFADRO C[NH+]1CCN(Cc2cccc(NC(=O)CSCc3cscn3)c2)CC1 ZINC000127631941 551342507 /nfs/dbraw/zinc/34/25/07/551342507.db2.gz DYTNOCTWUDVBMT-UHFFFAOYSA-N 1 0 376.551 2.762 20 0 GFADRO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CC(=O)NCc1ccco1 ZINC000128104631 551346635 /nfs/dbraw/zinc/34/66/35/551346635.db2.gz GVMHZRFGGUBKLI-GFCCVEGCSA-N 1 0 394.269 2.665 20 0 GFADRO CCC1(CO)CC[NH+](CC(=O)N(C)Cc2ccccc2Br)CC1 ZINC000128159745 551347342 /nfs/dbraw/zinc/34/73/42/551347342.db2.gz TYLXMIYPCDPVBC-UHFFFAOYSA-N 1 0 383.330 2.892 20 0 GFADRO O=C(CC[N@@H+]1CCS[C@H]2COCC[C@@H]21)Nc1ccc(Br)cc1 ZINC000128326352 551348834 /nfs/dbraw/zinc/34/88/34/551348834.db2.gz WOUWHRVPNCQNKZ-GJZGRUSLSA-N 1 0 385.327 2.984 20 0 GFADRO [NH3+][C@@H]1CCCC[C@H]1NC(=O)c1ccc(Cl)c(I)c1 ZINC000128877651 551353094 /nfs/dbraw/zinc/35/30/94/551353094.db2.gz AKHHYVAQHRNGJM-VXGBXAGGSA-N 1 0 378.641 2.944 20 0 GFADRO Cc1c(I)cccc1C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000130003700 551360547 /nfs/dbraw/zinc/36/05/47/551360547.db2.gz RCCVPWGGPQAFFD-LBPRGKRZSA-N 1 0 384.261 2.814 20 0 GFADRO CCOc1ccc(S(=O)(=O)N(C)CC[NH+]2CCCC2)cc1Br ZINC000130001449 551360870 /nfs/dbraw/zinc/36/08/70/551360870.db2.gz FFOIGDLCXLICMG-UHFFFAOYSA-N 1 0 391.331 2.564 20 0 GFADRO C[C@H](NC(=O)Cc1cccc(I)c1)C(C)(C)C[NH+](C)C ZINC000130403075 551364111 /nfs/dbraw/zinc/36/41/11/551364111.db2.gz CMBFGPPWAGOBTO-LBPRGKRZSA-N 1 0 388.293 2.926 20 0 GFADRO C[C@H]1C[N@@H+](C2CCN(C(=O)Cc3cc(Br)ccc3F)CC2)CCO1 ZINC000130411677 551364982 /nfs/dbraw/zinc/36/49/82/551364982.db2.gz ZQCMKHIRGPHQRB-ZDUSSCGKSA-N 1 0 399.304 2.842 20 0 GFADRO Cc1nccn1CCC[N@@H+](C)C[C@H](O)COc1ccc(Br)cc1 ZINC000130568162 551366471 /nfs/dbraw/zinc/36/64/71/551366471.db2.gz VYDRAUCIYDKOPK-INIZCTEOSA-N 1 0 382.302 2.716 20 0 GFADRO C[C@@H](CNC(=O)[C@H](C)Sc1nc2ccccc2s1)N1CC[NH+](C)CC1 ZINC000130566780 551366499 /nfs/dbraw/zinc/36/64/99/551366499.db2.gz ROTNYYLUESOURX-KBPBESRZSA-N 1 0 378.567 2.529 20 0 GFADRO CC(C)(C)n1cc(C[NH2+]C[C@H](O)COc2ccccc2Br)cn1 ZINC000131042665 551371687 /nfs/dbraw/zinc/37/16/87/551371687.db2.gz NIQUJIDWOSWLSC-AWEZNQCLSA-N 1 0 382.302 2.930 20 0 GFADRO Cc1c(Br)cccc1C[N@@H+]1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000131054897 551372056 /nfs/dbraw/zinc/37/20/56/551372056.db2.gz OJRKFLAUTOSXBC-INIZCTEOSA-N 1 0 381.314 2.828 20 0 GFADRO [NH3+]C[C@@H]1CCCCN1C(=O)c1nn(-c2ccc(F)cc2)cc1Br ZINC000131106886 551372551 /nfs/dbraw/zinc/37/25/51/551372551.db2.gz JNRLWLNONJZUHG-ZDUSSCGKSA-N 1 0 381.249 2.727 20 0 GFADRO Cc1cccc(I)c1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000133096429 551381306 /nfs/dbraw/zinc/38/13/06/551381306.db2.gz UGLWFQGFDCFNJR-OLZOCXBDSA-N 1 0 384.261 2.908 20 0 GFADRO C[C@@H](NC(=O)c1ccc(Br)cc1-n1cncn1)C(C)(C)C[NH+](C)C ZINC000135705063 551388772 /nfs/dbraw/zinc/38/87/72/551388772.db2.gz UDYRMICOKZRVAK-GFCCVEGCSA-N 1 0 394.317 2.736 20 0 GFADRO C[N@@H+]1CCC[C@H]1CNC(=O)NCCNc1ncc(C(F)(F)F)cc1Cl ZINC000139611161 551392517 /nfs/dbraw/zinc/39/25/17/551392517.db2.gz NNQJITGMXAGYJH-NSHDSACASA-N 1 0 379.814 2.559 20 0 GFADRO COCC[NH+]1CCC(NC(=O)N(C)Cc2ccc(Br)s2)CC1 ZINC000140228183 551393523 /nfs/dbraw/zinc/39/35/23/551393523.db2.gz ICJNJNQLVYPNAG-UHFFFAOYSA-N 1 0 390.347 2.763 20 0 GFADRO COCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](Cc2cc(Br)ccc2OC)C1 ZINC000144265301 551395875 /nfs/dbraw/zinc/39/58/75/551395875.db2.gz SMSDFWXDEHMQSV-KGLIPLIRSA-N 1 0 399.329 2.821 20 0 GFADRO CN1CC[NH+](CCCCNC(=O)[C@H]2C[C@@H]2c2cccc(Br)c2)CC1 ZINC000149554844 551399005 /nfs/dbraw/zinc/39/90/05/551399005.db2.gz LJWIYRSZPSIUNY-MSOLQXFVSA-N 1 0 394.357 2.696 20 0 GFADRO O=C(c1sccc1S(=O)(=O)C(F)F)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000150764819 551401176 /nfs/dbraw/zinc/40/11/76/551401176.db2.gz MZQRDAPPNHZQSV-LBPRGKRZSA-N 1 0 392.493 2.835 20 0 GFADRO CC[N@@H+]1CCC[C@H](CNC(=O)Cc2cccc(I)c2)C1 ZINC000151281308 551410708 /nfs/dbraw/zinc/41/07/08/551410708.db2.gz URHADFGYIGXGJX-CQSZACIVSA-N 1 0 386.277 2.682 20 0 GFADRO O=S(=O)(c1cccc(OC(F)(F)F)c1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000151647687 551418868 /nfs/dbraw/zinc/41/88/68/551418868.db2.gz QVVMCGPNEFIPPX-CYBMUJFWSA-N 1 0 378.416 2.692 20 0 GFADRO NS(=O)(=O)c1ccc(CC[NH2+][C@H]2CCc3c2cccc3Br)cc1 ZINC000151699506 551419534 /nfs/dbraw/zinc/41/95/34/551419534.db2.gz WTZWECNFYCQPGL-KRWDZBQOSA-N 1 0 395.322 2.916 20 0 GFADRO CCO[C@H](CC[NH+](C)C)CNC(=O)C(=O)Nc1cc(Cl)c(C)c(Cl)c1 ZINC000151723971 551419830 /nfs/dbraw/zinc/41/98/30/551419830.db2.gz XDJILKNEPBEQDT-CYBMUJFWSA-N 1 0 390.311 2.713 20 0 GFADRO CN(Cc1c(F)cccc1Cl)S(=O)(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000151747370 551420589 /nfs/dbraw/zinc/42/05/89/551420589.db2.gz QNABEFNTRYODJO-UHFFFAOYSA-N 1 0 391.940 2.866 20 0 GFADRO COCCC[N@H+](C)CCNC(=O)c1cnn(-c2ccc(Cl)cc2Cl)c1 ZINC000152470791 551433887 /nfs/dbraw/zinc/43/38/87/551433887.db2.gz HTPWFVGKHLFQRQ-UHFFFAOYSA-N 1 0 385.295 2.877 20 0 GFADRO CSCCN(C)[C@H](C)C(=O)Nc1cccc(I)c1 ZINC000152498225 551434203 /nfs/dbraw/zinc/43/42/03/551434203.db2.gz INJHCFOLCVMRQV-SNVBAGLBSA-N 1 0 378.279 2.913 20 0 GFADRO CS(=O)(=O)c1ccc(-c2nc(CN(CCCCO)C3CC3)cs2)cc1 ZINC000152560500 551435534 /nfs/dbraw/zinc/43/55/34/551435534.db2.gz YRDQHLJNMRYPEG-UHFFFAOYSA-N 1 0 380.535 2.951 20 0 GFADRO COC1CC[NH+](CCNC(=O)N[C@@H](C)Cc2ccccc2Br)CC1 ZINC000152625839 551437157 /nfs/dbraw/zinc/43/71/57/551437157.db2.gz ISYVBEFNGMJBCK-AWEZNQCLSA-N 1 0 398.345 2.790 20 0 GFADRO CCSCC[C@H](C)[NH2+][C@H](C)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000152800981 551440103 /nfs/dbraw/zinc/44/01/03/551440103.db2.gz SMEQEMKZTMIRHB-JKSUJKDBSA-N 1 0 386.583 2.890 20 0 GFADRO C[N@@H+]1CC[C@H]2[C@H](CCCN2S(=O)(=O)c2sccc2Br)C1 ZINC000152858121 551441039 /nfs/dbraw/zinc/44/10/39/551441039.db2.gz KDTJPAOVFYCPDN-PWSUYJOCSA-N 1 0 379.345 2.615 20 0 GFADRO CCO[C@H]1C[C@@H](O)C12CC[NH+](C[C@H](O)c1ccccc1Br)CC2 ZINC000152997891 551444309 /nfs/dbraw/zinc/44/43/09/551444309.db2.gz HHAQFBRQOVFEKR-BBWFWOEESA-N 1 0 384.314 2.734 20 0 GFADRO C[C@@H]1CN(C(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)C[C@H](C)[NH2+]1 ZINC000153196662 551447841 /nfs/dbraw/zinc/44/78/41/551447841.db2.gz YUWDLRXLHNKMJB-OZVIIMIRSA-N 1 0 384.307 2.807 20 0 GFADRO Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000153255571 551449117 /nfs/dbraw/zinc/44/91/17/551449117.db2.gz XNXPUNPZHNZMDZ-QGZVFWFLSA-N 1 0 386.279 2.999 20 0 GFADRO CSC[C@@H](CCO)NC(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000153450740 551453373 /nfs/dbraw/zinc/45/33/73/551453373.db2.gz BZIHXMLPGRWLJG-SJORKVTESA-N 1 0 385.961 2.890 20 0 GFADRO NC(=O)C1CC[NH+](Cc2ccnc(-c3ccc(Br)cc3)n2)CC1 ZINC000153720732 551458846 /nfs/dbraw/zinc/45/88/46/551458846.db2.gz WONLGNOAEOZLLJ-UHFFFAOYSA-N 1 0 375.270 2.603 20 0 GFADRO CS[C@H](CO)[C@H](C)[NH2+][C@H](C)CC(=O)Nc1cccc(Br)c1 ZINC000154183683 551469031 /nfs/dbraw/zinc/46/90/31/551469031.db2.gz WJEZSMUAYOXKKX-UHIISALHSA-N 1 0 375.332 2.868 20 0 GFADRO CC(C)(C)[C@H]([NH2+]Cc1ccnc(-c2ccc(Br)cc2)n1)C(N)=O ZINC000154525445 551477132 /nfs/dbraw/zinc/47/71/32/551477132.db2.gz DFUAISFCTWYOFQ-CQSZACIVSA-N 1 0 377.286 2.896 20 0 GFADRO CN(C)C(=O)C(C)(C)[NH2+]Cc1ccnc(-c2ccc(Br)cc2)n1 ZINC000154537773 551477366 /nfs/dbraw/zinc/47/73/66/551477366.db2.gz ZMWKNOAOISAQGK-UHFFFAOYSA-N 1 0 377.286 2.863 20 0 GFADRO O=C(NCC1(c2cccc(Br)c2)CCOCC1)[C@@H]1CCC[NH2+]C1 ZINC000154746566 551481810 /nfs/dbraw/zinc/48/18/10/551481810.db2.gz AIPOBVKHZAQDOV-CQSZACIVSA-N 1 0 381.314 2.613 20 0 GFADRO COCCC[N@H+](C)CCNS(=O)(=O)c1ccc(C(F)(F)F)cc1Cl ZINC000154761144 551482173 /nfs/dbraw/zinc/48/21/73/551482173.db2.gz IOZYENUBQZBNTB-UHFFFAOYSA-N 1 0 388.839 2.605 20 0 GFADRO CCN(CC)S(=O)(=O)CC[NH2+][C@@H](C)c1sc(-c2cccnc2)nc1C ZINC000154793025 551483275 /nfs/dbraw/zinc/48/32/75/551483275.db2.gz UTIYMHWLXOSKKP-ZDUSSCGKSA-N 1 0 382.555 2.836 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)c(C)c1C[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000155033727 551489266 /nfs/dbraw/zinc/48/92/66/551489266.db2.gz NQVXZGMAKRJOGP-CQSZACIVSA-N 1 0 391.313 2.949 20 0 GFADRO C[C@@H]1C[NH+](C)C[C@@H](C)N1C(=O)Cc1csc(NC(=O)c2cccs2)n1 ZINC000155484658 551500861 /nfs/dbraw/zinc/50/08/61/551500861.db2.gz IMHDUFFWJQKXBD-VXGBXAGGSA-N 1 0 378.523 2.550 20 0 GFADRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)Nc2ccccc2Br)C1 ZINC000155496591 551500933 /nfs/dbraw/zinc/50/09/33/551500933.db2.gz OEHWAKZQPPPTRF-AWEZNQCLSA-N 1 0 396.329 2.872 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(Cl)c(Br)c1 ZINC000155586708 551502877 /nfs/dbraw/zinc/50/28/77/551502877.db2.gz SFRBUBYVUXGUCM-LLVKDONJSA-N 1 0 388.693 2.642 20 0 GFADRO CCC[N@H+](C[C@H](O)Cc1ccc(C(F)(F)F)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000156129663 551515229 /nfs/dbraw/zinc/51/52/29/551515229.db2.gz AKWFKOBBUNDCCQ-HZPDHXFCSA-N 1 0 379.444 2.508 20 0 GFADRO COc1ccsc1S(=O)(=O)N(CCCc1ccccc1)CC[NH+](C)C ZINC000156206601 551517098 /nfs/dbraw/zinc/51/70/98/551517098.db2.gz YFZRHTLVLGZPPL-UHFFFAOYSA-N 1 0 382.551 2.942 20 0 GFADRO Cn1cc(NC(=O)NC2CC[NH+](C3CCCC3)CC2)cc(Br)c1=O ZINC000156313001 551519974 /nfs/dbraw/zinc/51/99/74/551519974.db2.gz LOZOBFJJLMMLPS-UHFFFAOYSA-N 1 0 397.317 2.676 20 0 GFADRO COc1ccc(C[N@H+](C)C[C@H]2CCN(C(C)=O)C2)c(Br)c1OC ZINC000156539724 551524622 /nfs/dbraw/zinc/52/46/22/551524622.db2.gz YIBBHCBADXBVTK-CYBMUJFWSA-N 1 0 385.302 2.767 20 0 GFADRO C[C@@H]1CCCN(C(=O)[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)[C@H]1C[NH3+] ZINC000156618337 551526281 /nfs/dbraw/zinc/52/62/81/551526281.db2.gz VLRAZYZLGPLINV-KFNAQCHYSA-N 1 0 384.307 2.932 20 0 GFADRO COC1(C(=O)N2CCO[C@@H](c3cc(F)c(Cl)cc3Cl)C2)CC[NH2+]CC1 ZINC000156707554 551527145 /nfs/dbraw/zinc/52/71/45/551527145.db2.gz CQZKFOXAAJXPEV-OAHLLOKOSA-N 1 0 391.270 2.801 20 0 GFADRO CSCCCCCC[NH2+]C1CCN(S(=O)(=O)c2c(C)n[nH]c2C)CC1 ZINC000156872328 551530239 /nfs/dbraw/zinc/53/02/39/551530239.db2.gz FXTNRKVGCIPJNF-UHFFFAOYSA-N 1 0 388.603 2.693 20 0 GFADRO CC[NH+]1CCC(N(C)CC(=O)N(C)Cc2cc(Br)cs2)CC1 ZINC000157485003 551538545 /nfs/dbraw/zinc/53/85/45/551538545.db2.gz NKLPYPDFFMCBAK-UHFFFAOYSA-N 1 0 388.375 2.885 20 0 GFADRO O[C@@H](C[NH2+]C1(c2ccc(Br)cc2)CCC1)COC[C@@H]1CCCO1 ZINC000157826936 551543374 /nfs/dbraw/zinc/54/33/74/551543374.db2.gz RTPVYRQXBZJNIC-IRXDYDNUSA-N 1 0 384.314 2.974 20 0 GFADRO C[N@H+](CC(=O)NC[C@@H]1CCCO1)CC1(c2ccc(Br)cc2)CC1 ZINC000158096299 551546685 /nfs/dbraw/zinc/54/66/85/551546685.db2.gz WDJJFIGNCLOJQO-INIZCTEOSA-N 1 0 381.314 2.708 20 0 GFADRO C[C@H]([NH2+]CCCS(=O)(=O)c1ccccc1)c1ccc(S(C)(=O)=O)cc1 ZINC000158696927 551555622 /nfs/dbraw/zinc/55/56/22/551555622.db2.gz NOZBMPHMTJPAEK-HNNXBMFYSA-N 1 0 381.519 2.605 20 0 GFADRO CCC[NH2+]CCNC(=O)Nc1cc(Br)cnc1OCC(F)(F)F ZINC000415172704 563761824 /nfs/dbraw/zinc/76/18/24/563761824.db2.gz ORRIYELNVQDPSV-UHFFFAOYSA-N 1 0 399.211 2.906 20 0 GFADRO CC(C)[C@H](CCO)[NH2+][C@@H](C)C(=O)Nc1cccc(I)c1 ZINC000161792520 551599124 /nfs/dbraw/zinc/59/91/24/551599124.db2.gz WJMPWGYPLPMIJN-FZMZJTMJSA-N 1 0 390.265 2.615 20 0 GFADRO CC(=O)NC1CCC([NH2+]CCC(=O)Nc2ccc(Br)cc2)CC1 ZINC000161875750 551599931 /nfs/dbraw/zinc/59/99/31/551599931.db2.gz DMUDQVGQBRRGPY-UHFFFAOYSA-N 1 0 382.302 2.815 20 0 GFADRO NC(=O)[C@@H]([NH2+]CCN1CCc2ccccc2C1)c1cccc(Br)c1 ZINC000161889286 551600002 /nfs/dbraw/zinc/60/00/02/551600002.db2.gz HBISZTQEUWBMMK-SFHVURJKSA-N 1 0 388.309 2.623 20 0 GFADRO C[C@@H]([NH2+]CCNS(=O)(=O)c1cccc(Cl)c1)c1ccc2c(c1)OCO2 ZINC000162096779 551603662 /nfs/dbraw/zinc/60/36/62/551603662.db2.gz ZKYIXSWVERPJOD-GFCCVEGCSA-N 1 0 382.869 2.698 20 0 GFADRO C[C@@H]([NH2+]CCNS(=O)(=O)Cc1ccon1)c1ccc(Cl)c(Cl)c1 ZINC000162352151 551607375 /nfs/dbraw/zinc/60/73/75/551607375.db2.gz RBOUMCHOMZUCPW-SNVBAGLBSA-N 1 0 378.281 2.752 20 0 GFADRO O=C(NCC[NH+]1CCCCCC1)C(=O)Nc1cc(F)ccc1Br ZINC000162641135 551611067 /nfs/dbraw/zinc/61/10/67/551611067.db2.gz XZVLWVHGFUXQBM-UHFFFAOYSA-N 1 0 386.265 2.519 20 0 GFADRO O=C(c1cncc(I)c1)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000162941012 551614552 /nfs/dbraw/zinc/61/45/52/551614552.db2.gz YSAJXGHAANPYLB-HNNXBMFYSA-N 1 0 399.276 2.777 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CN(C(=O)C2(c3cccc(Br)c3)CCCC2)CCO1 ZINC000163062953 551615525 /nfs/dbraw/zinc/61/55/25/551615525.db2.gz JRZXNBUDGVHMAL-CJNGLKHVSA-N 1 0 381.314 2.836 20 0 GFADRO C[C@H]([NH2+]C[C@H]1CCN(CC(F)(F)F)C1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000163145073 551616917 /nfs/dbraw/zinc/61/69/17/551616917.db2.gz QQCLHTXFKIURBI-NWDGAFQWSA-N 1 0 382.423 2.764 20 0 GFADRO O=C(Nc1cc(F)ccc1Br)C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000163153129 551617004 /nfs/dbraw/zinc/61/70/04/551617004.db2.gz HDSXWXOTVVPQJV-UHFFFAOYSA-N 1 0 398.276 2.614 20 0 GFADRO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@@H](C)CO[C@@H]1CCOC1 ZINC000166511819 551631692 /nfs/dbraw/zinc/63/16/92/551631692.db2.gz BJRHBEZPURHECO-DVOMOZLQSA-N 1 0 385.302 2.950 20 0 GFADRO C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)Nc1cc(F)c(Br)cc1F ZINC000415348653 563768738 /nfs/dbraw/zinc/76/87/38/563768738.db2.gz FMMWTOSTRDWVBH-JMCQJSRRSA-N 1 0 378.217 2.962 20 0 GFADRO CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2cccc(Br)c2C)C1 ZINC000170704604 551638076 /nfs/dbraw/zinc/63/80/76/551638076.db2.gz POCHJQYNDKZVEZ-ZDUSSCGKSA-N 1 0 382.302 2.544 20 0 GFADRO CC1(C)COCCN1CC[NH2+]CC1=Cc2cc(Br)ccc2OC1 ZINC000170874398 551642473 /nfs/dbraw/zinc/64/24/73/551642473.db2.gz SSGOHEDHVZISNF-UHFFFAOYSA-N 1 0 381.314 2.925 20 0 GFADRO Cc1c(Br)cccc1NC(=O)C(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000171225162 551650389 /nfs/dbraw/zinc/65/03/89/551650389.db2.gz DGJSYJDOBRSSJC-LBPRGKRZSA-N 1 0 382.302 2.687 20 0 GFADRO O=C(C[NH2+]C1(c2ccc(Br)cc2)CCOCC1)NCC1CCC1 ZINC000171733994 551662161 /nfs/dbraw/zinc/66/21/61/551662161.db2.gz KSQXOTIKIQFOHN-UHFFFAOYSA-N 1 0 381.314 2.961 20 0 GFADRO O=S(=O)(NC1CC[NH+](Cc2ccc3c(c2)CCO3)CC1)c1cccs1 ZINC000171945810 551666850 /nfs/dbraw/zinc/66/68/50/551666850.db2.gz UBLIBUPYDZRACV-UHFFFAOYSA-N 1 0 378.519 2.626 20 0 GFADRO NC(=O)[C@@H]([NH2+]CCc1ccc2c(c1)CCO2)c1ccc(Br)cc1 ZINC000172014423 551669066 /nfs/dbraw/zinc/66/90/66/551669066.db2.gz AAHBGIRDIJXIQI-KRWDZBQOSA-N 1 0 375.266 2.743 20 0 GFADRO C[NH+](C)C[C@H]1CCN(C(=O)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)C1 ZINC000172292139 551675516 /nfs/dbraw/zinc/67/55/16/551675516.db2.gz WESWTGFMWSXECN-SNVBAGLBSA-N 1 0 377.794 2.707 20 0 GFADRO O=C(CN1CCC[N@@H+](C2CC2)CC1)Nc1c(F)cc(F)cc1Br ZINC000172541773 551681263 /nfs/dbraw/zinc/68/12/63/551681263.db2.gz REZADTDUVLTEQK-UHFFFAOYSA-N 1 0 388.256 2.836 20 0 GFADRO C[C@@H]1[C@@H](C)CCC[N@@H+]1CC(=O)NCC(=O)Nc1ccccc1Br ZINC000172855257 551687945 /nfs/dbraw/zinc/68/79/45/551687945.db2.gz MYZHDBDQTHSCBE-QWHCGFSZSA-N 1 0 382.302 2.624 20 0 GFADRO CC[NH+](CC)[C@H](CNC(=O)c1c[nH]c(=O)c(Br)c1)c1ccccc1 ZINC000173022791 551692736 /nfs/dbraw/zinc/69/27/36/551692736.db2.gz CXFWGADUSCGMLA-MRXNPFEDSA-N 1 0 392.297 2.950 20 0 GFADRO O=S(=O)(NC[C@H]1CC[N@@H+](C2CC2)C1)c1cc(Br)ccc1Cl ZINC000173023263 551692779 /nfs/dbraw/zinc/69/27/79/551692779.db2.gz GLADPRZVWXVTHH-SNVBAGLBSA-N 1 0 393.734 2.865 20 0 GFADRO C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)Cc1cccc(Br)c1 ZINC000173103921 551695871 /nfs/dbraw/zinc/69/58/71/551695871.db2.gz OIDRPPGKIFHFQR-UHFFFAOYSA-N 1 0 390.281 2.791 20 0 GFADRO COc1ccc(NC(=O)NC2(C[NH3+])CCCC2)c(I)c1 ZINC000415591413 563785683 /nfs/dbraw/zinc/78/56/83/563785683.db2.gz CNDGJQNENKKFLR-UHFFFAOYSA-N 1 0 389.237 2.693 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2ccc(F)cc2Br)[C@H](C)C1 ZINC000173257844 552081143 /nfs/dbraw/zinc/08/11/43/552081143.db2.gz JDYSZUWPMNRULR-BXUZGUMPSA-N 1 0 393.322 2.939 20 0 GFADRO O=C(COc1cc(Cl)cc(Cl)c1)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000173356587 552084081 /nfs/dbraw/zinc/08/40/81/552084081.db2.gz HCQCSPMOLYHKJD-CQSZACIVSA-N 1 0 387.307 2.943 20 0 GFADRO Cc1c(Br)cccc1C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000173599353 552088928 /nfs/dbraw/zinc/08/89/28/552088928.db2.gz CJCWREXGPAPWFA-AWEZNQCLSA-N 1 0 381.314 2.988 20 0 GFADRO C[C@@H](C(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1)c1ccc(Br)s1 ZINC000173825902 552093127 /nfs/dbraw/zinc/09/31/27/552093127.db2.gz ALXFYBXOMCKUEP-OLZOCXBDSA-N 1 0 387.343 2.795 20 0 GFADRO C[C@@H](CNC(=O)Nc1ccc(Br)c(F)c1)C[NH+]1CCN(C)CC1 ZINC000173974483 552096237 /nfs/dbraw/zinc/09/62/37/552096237.db2.gz CFKGFAZHVRNYFT-LBPRGKRZSA-N 1 0 387.297 2.593 20 0 GFADRO CC[N@H+](C)C[C@H]1CCN(S(=O)(=O)c2ccc(F)cc2Br)C1 ZINC000174022442 552097029 /nfs/dbraw/zinc/09/70/29/552097029.db2.gz WZBGMRCPFQPPQO-LLVKDONJSA-N 1 0 379.295 2.551 20 0 GFADRO COCCOC[C@@H]1CC[N@H+](Cc2ccc(I)cc2)C1 ZINC000174115571 552099425 /nfs/dbraw/zinc/09/94/25/552099425.db2.gz GMWBDOSSNYHSQO-CQSZACIVSA-N 1 0 375.250 2.776 20 0 GFADRO O=C(/C=C/c1ccccc1Br)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000174174063 552101392 /nfs/dbraw/zinc/10/13/92/552101392.db2.gz ZHQADQBRNJHNNJ-LLYBFZRZSA-N 1 0 379.298 2.643 20 0 GFADRO C[C@@H]1CC[C@@H]([NH2+]C[C@H](O)COc2ccc(I)cc2)C1 ZINC000174340913 552102784 /nfs/dbraw/zinc/10/27/84/552102784.db2.gz MSCGUBLGZJQOSU-BNOWGMLFSA-N 1 0 375.250 2.809 20 0 GFADRO CCc1cnc(CC[NH2+]Cc2cc(Cl)c(OCC(N)=O)c(OC)c2)s1 ZINC000174624816 552106979 /nfs/dbraw/zinc/10/69/79/552106979.db2.gz DCWXRJLUKIBZNX-UHFFFAOYSA-N 1 0 383.901 2.564 20 0 GFADRO C[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)Nc1ccc(F)c(Br)c1 ZINC000174633881 552107279 /nfs/dbraw/zinc/10/72/79/552107279.db2.gz QFJBCYFOTFTXGI-NSHDSACASA-N 1 0 386.265 2.517 20 0 GFADRO COC(=O)C[C@@H]1CSCC[N@@H+]1CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000174741638 552109469 /nfs/dbraw/zinc/10/94/69/552109469.db2.gz ANOPUMKLAKRZFJ-CQSZACIVSA-N 1 0 381.885 2.913 20 0 GFADRO CC(C)OCC[NH+]1CCC(NS(=O)(=O)c2cnc(Cl)c(Cl)c2)CC1 ZINC000175450019 552122237 /nfs/dbraw/zinc/12/22/37/552122237.db2.gz GOEXMMRJGZAKPX-UHFFFAOYSA-N 1 0 396.340 2.556 20 0 GFADRO COc1cc(Br)c(CN2CC[NH+](C3CCOCC3)CC2)cc1OC ZINC000175499855 552123478 /nfs/dbraw/zinc/12/34/78/552123478.db2.gz WLNFFVIALAQNSZ-UHFFFAOYSA-N 1 0 399.329 2.763 20 0 GFADRO COc1ccc(Br)c(NC(=O)N2CC[NH+](C3CCOCC3)CC2)c1 ZINC000175673552 552126785 /nfs/dbraw/zinc/12/67/85/552126785.db2.gz PGUZKFFSGMQNPE-UHFFFAOYSA-N 1 0 398.301 2.786 20 0 GFADRO Cc1ccc(NC(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)c(Br)c1 ZINC000176787533 552145571 /nfs/dbraw/zinc/14/55/71/552145571.db2.gz RKUHBVWXVSMLGD-CQSZACIVSA-N 1 0 382.302 2.944 20 0 GFADRO CC[C@H]([NH2+]CC1=Cc2cc(Cl)cc(Cl)c2OC1)C(=O)N1CCOCC1 ZINC000176804604 552146164 /nfs/dbraw/zinc/14/61/64/552146164.db2.gz MYPIRZILKYZIJT-INIZCTEOSA-N 1 0 385.291 2.996 20 0 GFADRO CSc1ccc(NC(=O)C(=O)NC2CC[NH+](CC3CC3)CC2)cc1Cl ZINC000176816131 552146242 /nfs/dbraw/zinc/14/62/42/552146242.db2.gz PHZKOPANFBOFIL-UHFFFAOYSA-N 1 0 381.929 2.991 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000176801552 552146356 /nfs/dbraw/zinc/14/63/56/552146356.db2.gz XESFWZYNBIZUNZ-AWEZNQCLSA-N 1 0 382.302 2.944 20 0 GFADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)c2ccc(C)c(Br)c2)CC1 ZINC000176829139 552146959 /nfs/dbraw/zinc/14/69/59/552146959.db2.gz OJQVMKFDIWGAHG-AWEZNQCLSA-N 1 0 382.346 2.761 20 0 GFADRO O=C(NCCC[NH+]1CCCC1)c1ccc(F)c(I)c1 ZINC000177946550 552161253 /nfs/dbraw/zinc/16/12/53/552161253.db2.gz VVTFJKXZKSQMMC-UHFFFAOYSA-N 1 0 376.213 2.646 20 0 GFADRO C[C@@H](CNC(=O)N[C@H](CO)c1cccc(Br)c1)[NH+]1CCC(C)CC1 ZINC000178023149 552162835 /nfs/dbraw/zinc/16/28/35/552162835.db2.gz FPMNCXDUDLSLFQ-WMLDXEAASA-N 1 0 398.345 2.902 20 0 GFADRO C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000178071592 552163619 /nfs/dbraw/zinc/16/36/19/552163619.db2.gz OONGOWUWGLHAET-UONOGXRCSA-N 1 0 387.307 2.941 20 0 GFADRO CC1(C)COCCN1CCNC(=O)Cc1cc(Cl)ccc1Br ZINC000178313800 552168669 /nfs/dbraw/zinc/16/86/69/552168669.db2.gz NFTSFHNOHPLOGD-UHFFFAOYSA-N 1 0 389.721 2.872 20 0 GFADRO C[N@H+](C[C@H](O)COc1ccc(Cl)cc1Br)C[C@@H]1CCOC1 ZINC000178370069 552169824 /nfs/dbraw/zinc/16/98/24/552169824.db2.gz MTXISPORDRNIBU-AAEUAGOBSA-N 1 0 378.694 2.811 20 0 GFADRO CCOCCOc1ccc(Br)cc1/C=C/C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000178561395 552172599 /nfs/dbraw/zinc/17/25/99/552172599.db2.gz VSCYZSNDXFBWCJ-ZRFDWSJLSA-N 1 0 397.313 2.685 20 0 GFADRO C[C@@H]([NH3+])CCNC(=O)c1nn(-c2cccc(Br)c2)c2c1CCC2 ZINC000178703065 552173707 /nfs/dbraw/zinc/17/37/07/552173707.db2.gz KHHVOUSTXZNOFN-LLVKDONJSA-N 1 0 377.286 2.591 20 0 GFADRO C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000178820386 552176032 /nfs/dbraw/zinc/17/60/32/552176032.db2.gz OUHZKRMGYKEXAT-ZIAGYGMSSA-N 1 0 386.323 2.975 20 0 GFADRO C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000178820376 552176116 /nfs/dbraw/zinc/17/61/16/552176116.db2.gz OUHZKRMGYKEXAT-UONOGXRCSA-N 1 0 386.323 2.975 20 0 GFADRO CC(C)(COc1ncccc1Br)[NH2+]Cc1ccc(C(N)=O)cc1 ZINC000178825345 552176628 /nfs/dbraw/zinc/17/66/28/552176628.db2.gz PCENACGVSXBDPK-UHFFFAOYSA-N 1 0 378.270 2.890 20 0 GFADRO C[NH2+]C[C@H]1CCN(C(=O)c2ccc(I)cc2Cl)C1 ZINC000178982895 552181190 /nfs/dbraw/zinc/18/11/90/552181190.db2.gz BMWCYEWIUFFVSG-SECBINFHSA-N 1 0 378.641 2.626 20 0 GFADRO C[NH2+]C[C@@H]1CCN(C(=O)c2ccc(I)cc2Cl)C1 ZINC000178982886 552181271 /nfs/dbraw/zinc/18/12/71/552181271.db2.gz BMWCYEWIUFFVSG-VIFPVBQESA-N 1 0 378.641 2.626 20 0 GFADRO CN(Cc1ccccc1Br)C(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000179317527 552189562 /nfs/dbraw/zinc/18/95/62/552189562.db2.gz OGEDWOBQELEZIJ-UHFFFAOYSA-N 1 0 397.361 2.617 20 0 GFADRO CCC[C@H]1CN(C(=O)c2cc(Br)cn2CC)CC[N@@H+]1CCOC ZINC000179321325 552190212 /nfs/dbraw/zinc/19/02/12/552190212.db2.gz ZOLQPBCIUNCWMG-HNNXBMFYSA-N 1 0 386.334 2.843 20 0 GFADRO O=C(Nc1cnn(-c2ccccc2Br)c1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000179368748 552191086 /nfs/dbraw/zinc/19/10/86/552191086.db2.gz DAFZZAFMJWKMAU-AWEZNQCLSA-N 1 0 390.285 2.947 20 0 GFADRO O=C(c1cn(-c2ccc(Br)cc2)cn1)N1CCC[N@@H+](C2CC2)CC1 ZINC000179390974 552191773 /nfs/dbraw/zinc/19/17/73/552191773.db2.gz FELABROEECKOSM-UHFFFAOYSA-N 1 0 389.297 2.945 20 0 GFADRO CC[C@@H](CO)[NH+]1CCN(C(=O)Cc2cc(Cl)ccc2Br)CC1 ZINC000179410803 552193004 /nfs/dbraw/zinc/19/30/04/552193004.db2.gz GIGAADFOQXVLTH-AWEZNQCLSA-N 1 0 389.721 2.560 20 0 GFADRO C[N@H+](CCCO)C1CCN(C(=O)[C@@H]2C[C@@H]2c2cccc(Br)c2)CC1 ZINC000179760377 552201974 /nfs/dbraw/zinc/20/19/74/552201974.db2.gz WVZQQZRDSRQFDF-QZTJIDSGSA-N 1 0 395.341 2.858 20 0 GFADRO C[C@@H](CNC(=O)c1ccc(C(F)(F)F)cc1Cl)C[NH+]1CCN(C)CC1 ZINC000180021534 552210492 /nfs/dbraw/zinc/21/04/92/552210492.db2.gz RDWHALPWHAALBG-LBPRGKRZSA-N 1 0 377.838 2.972 20 0 GFADRO Cc1ccc(Br)c(NC(=O)C(=O)N2CCC([NH2+]C(C)C)CC2)c1 ZINC000180357928 552224036 /nfs/dbraw/zinc/22/40/36/552224036.db2.gz DQZDOWGHADUIOZ-UHFFFAOYSA-N 1 0 382.302 2.685 20 0 GFADRO Cc1cc(NC(=O)CC[NH2+]C(C)(C)COc2ncccc2Br)no1 ZINC000180394143 552225265 /nfs/dbraw/zinc/22/52/65/552225265.db2.gz AMCSQWIUYZGQBW-UHFFFAOYSA-N 1 0 397.273 2.916 20 0 GFADRO O=S(=O)(c1ccc(Cl)cc1)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000180465745 552226838 /nfs/dbraw/zinc/22/68/38/552226838.db2.gz HTYUIBGBMNDPJX-UHFFFAOYSA-N 1 0 386.945 2.853 20 0 GFADRO C[C@@H](CN1CCOCC1)[NH2+][C@@H](C)c1cc2c(cc1Br)OCCO2 ZINC000180484611 552227623 /nfs/dbraw/zinc/22/76/23/552227623.db2.gz YPRAIJXFFDPOGF-STQMWFEESA-N 1 0 385.302 2.592 20 0 GFADRO CC[NH+](CC)CCNS(=O)(=O)Cc1ccc(Cl)cc1Br ZINC000180515536 552228383 /nfs/dbraw/zinc/22/83/83/552228383.db2.gz ZHEWDYXVOPEQSM-UHFFFAOYSA-N 1 0 383.739 2.864 20 0 GFADRO COC(=O)[C@@H](CC(C)C)NC(=O)C[NH2+]C1(c2ccc(Br)cc2)CC1 ZINC000180520858 552228602 /nfs/dbraw/zinc/22/86/02/552228602.db2.gz VUKTUVMLUCSYAU-OAHLLOKOSA-N 1 0 397.313 2.732 20 0 GFADRO C[NH+](C)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2Br)CC1 ZINC000180579108 552230025 /nfs/dbraw/zinc/23/00/25/552230025.db2.gz QSMLKRWSOBLQHD-UHFFFAOYSA-N 1 0 395.750 2.958 20 0 GFADRO Cc1cc(C[N@@H+](C)C2CCN(S(C)(=O)=O)CC2)cc(C)c1OC(F)F ZINC000180627265 552231824 /nfs/dbraw/zinc/23/18/24/552231824.db2.gz DQFGKHRRPYLJIU-UHFFFAOYSA-N 1 0 376.469 2.761 20 0 GFADRO C[C@H](c1ccc(Br)cc1)N1CC[NH+]([C@@H](C)CN2CCOCC2)CC1 ZINC000180687714 552233024 /nfs/dbraw/zinc/23/30/24/552233024.db2.gz DNCKOEXAPVHWBZ-DLBZAZTESA-N 1 0 396.373 2.848 20 0 GFADRO COC(=O)C1CCN(C(=O)[C@@H](C)[NH2+][C@H](C)c2ccc(Br)cc2)CC1 ZINC000181108560 552246983 /nfs/dbraw/zinc/24/69/83/552246983.db2.gz WPPPOEWUQKWRCF-CHWSQXEVSA-N 1 0 397.313 2.900 20 0 GFADRO C[C@H]([NH2+]C[C@H](O)COc1ccc(I)cc1)c1cccnc1 ZINC000181409695 552256017 /nfs/dbraw/zinc/25/60/17/552256017.db2.gz QXPZTWKARNKJOG-WFASDCNBSA-N 1 0 398.244 2.777 20 0 GFADRO C[C@@H]([NH2+][C@H](CO)c1cccc(Br)c1)c1ccc(-n2cnnn2)cc1 ZINC000181392288 552255237 /nfs/dbraw/zinc/25/52/37/552255237.db2.gz SHMSZYXPRPPDTO-SJKOYZFVSA-N 1 0 388.269 2.809 20 0 GFADRO COc1ccccc1C[C@H](C)[NH2+]CCNS(=O)(=O)c1cc(C)sc1C ZINC000181506505 552259088 /nfs/dbraw/zinc/25/90/88/552259088.db2.gz AVIVLTLBKBLSNZ-ZDUSSCGKSA-N 1 0 382.551 2.873 20 0 GFADRO O=C(C1CC[NH+](CCCc2ccccc2Br)CC1)N1CCOCC1 ZINC000181537324 552260232 /nfs/dbraw/zinc/26/02/32/552260232.db2.gz JIXQMYWWDTUCLS-UHFFFAOYSA-N 1 0 395.341 2.953 20 0 GFADRO C[C@H]([NH2+]C[C@@H](O)CS(=O)(=O)c1cccs1)c1ccccc1OC(F)F ZINC000181633981 552262964 /nfs/dbraw/zinc/26/29/64/552262964.db2.gz HMZMLQURLMYZGD-NWDGAFQWSA-N 1 0 391.461 2.835 20 0 GFADRO CC[C@@H]([NH2+]C[C@H](O)CS(=O)(=O)c1cccs1)c1cc(C)ccc1OC ZINC000181636700 552263418 /nfs/dbraw/zinc/26/34/18/552263418.db2.gz BGLQMKABMFGIJV-GOEBONIOSA-N 1 0 383.535 2.941 20 0 GFADRO Cc1ccc(Cl)cc1NC(=O)CN[C@@H](CS(C)(=O)=O)c1ccccc1 ZINC000181774928 552267415 /nfs/dbraw/zinc/26/74/15/552267415.db2.gz WTSKPAAYJARGOU-KRWDZBQOSA-N 1 0 380.897 2.962 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C(=O)N(C)CCC[NH+](C)C ZINC000181965136 552271531 /nfs/dbraw/zinc/27/15/31/552271531.db2.gz SOBMYJYNBCGKRV-UHFFFAOYSA-N 1 0 379.302 2.967 20 0 GFADRO CCO[C@@H]1C[C@@H]([NH2+]CC2CCN(S(=O)(=O)C(F)F)CC2)C12CCCC2 ZINC000181953678 552271603 /nfs/dbraw/zinc/27/16/03/552271603.db2.gz PUQUGCZFQXOLIP-HUUCEWRRSA-N 1 0 380.501 2.578 20 0 GFADRO COc1ccc([C@@H](C)[NH2+]CC2(CS(C)(=O)=O)CC2)c(Br)c1 ZINC000182002105 552272649 /nfs/dbraw/zinc/27/26/49/552272649.db2.gz CSOKIBLKCJVIGR-LLVKDONJSA-N 1 0 376.316 2.933 20 0 GFADRO COC(=O)CC[N@@H+]1CCN(CCOc2cc(Cl)cc(Cl)c2)[C@@H](C)C1 ZINC000182087190 552274486 /nfs/dbraw/zinc/27/44/86/552274486.db2.gz OIPAXGSPJISOJX-ZDUSSCGKSA-N 1 0 375.296 2.941 20 0 GFADRO COCC[N@H+](C)CCCNC(=O)CCc1cc(F)ccc1Br ZINC000182185880 552277570 /nfs/dbraw/zinc/27/75/70/552277570.db2.gz DQUKGJDXQNRDRA-UHFFFAOYSA-N 1 0 375.282 2.605 20 0 GFADRO CCOC(=O)COc1c(Br)cc(C)cc1C[NH2+]CC1(C)COC1 ZINC000182279974 552280102 /nfs/dbraw/zinc/28/01/02/552280102.db2.gz ZXCZCQOWLBSXME-UHFFFAOYSA-N 1 0 386.286 2.826 20 0 GFADRO CCOC(=O)COc1c(Br)cc(C)cc1C[NH2+][C@@H]1C=C[C@H](CO)C1 ZINC000182280876 552280182 /nfs/dbraw/zinc/28/01/82/552280182.db2.gz GRVGFUXEMMXIHY-DZGCQCFKSA-N 1 0 398.297 2.726 20 0 GFADRO CCS(=O)(=O)C[C@@H](C)[NH2+]C[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000182624535 552289061 /nfs/dbraw/zinc/28/90/61/552289061.db2.gz ODSZOGNCWCBMPF-KGLIPLIRSA-N 1 0 389.359 2.688 20 0 GFADRO CCOC(=O)C[C@H](C)[N@H+](C)CC(=O)N(C)Cc1ccccc1Br ZINC000182659756 552290322 /nfs/dbraw/zinc/29/03/22/552290322.db2.gz BNIMERJWWPMQRV-ZDUSSCGKSA-N 1 0 385.302 2.681 20 0 GFADRO CCC[NH+](CCC)CCCNC(=O)C(=O)Nc1cnc(Br)c(C)c1 ZINC000182738305 552291669 /nfs/dbraw/zinc/29/16/69/552291669.db2.gz CWKBPJOLMOWVPG-UHFFFAOYSA-N 1 0 399.333 2.719 20 0 GFADRO CN(C)C(=O)N1CCC([NH2+][C@@H]2CCN(c3ccc(Br)cc3)C2)CC1 ZINC000182804031 552293503 /nfs/dbraw/zinc/29/35/03/552293503.db2.gz LHISRHGNECKSJT-MRXNPFEDSA-N 1 0 395.345 2.763 20 0 GFADRO CCS(=O)(=O)C[C@H](C)[NH2+][C@H]1CCCN(Cc2ccc(F)cc2Cl)C1 ZINC000182941385 552296899 /nfs/dbraw/zinc/29/68/99/552296899.db2.gz OHMMXGSUBLVRJS-BBRMVZONSA-N 1 0 376.925 2.856 20 0 GFADRO Cc1cc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2cccc(S(N)(=O)=O)c2)c(C)s1 ZINC000182983248 552297845 /nfs/dbraw/zinc/29/78/45/552297845.db2.gz SYZOHHPETHGCBO-NEPJUHHUSA-N 1 0 381.523 2.690 20 0 GFADRO C[C@H]([NH2+]CCc1ccc(S(=O)(=O)N2CCCCC2)s1)c1nccn1C ZINC000183040828 552299195 /nfs/dbraw/zinc/29/91/95/552299195.db2.gz BBCRLKNBMJULAU-AWEZNQCLSA-N 1 0 382.555 2.550 20 0 GFADRO COc1ccc(C(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)nc1Br ZINC000183195424 552302500 /nfs/dbraw/zinc/30/25/00/552302500.db2.gz JTVRFSKENBRGBP-ZDUSSCGKSA-N 1 0 382.302 2.801 20 0 GFADRO Cc1c([C@@H](C)[NH2+]CC(=O)N(C)Cc2ccccc2Br)cnn1C ZINC000183335704 552306043 /nfs/dbraw/zinc/30/60/43/552306043.db2.gz AYYWNIJQRNSZIY-GFCCVEGCSA-N 1 0 379.302 2.800 20 0 GFADRO Cc1cc(NC(=O)C(=O)NCC2(C[NH+](C)C)CCCC2)ccc1Br ZINC000183354792 552306617 /nfs/dbraw/zinc/30/66/17/552306617.db2.gz IQWDASYGCXJECG-UHFFFAOYSA-N 1 0 396.329 2.934 20 0 GFADRO O=S1(=O)CCC[C@@H]([NH2+]CCCOc2ncc(C(F)(F)F)cc2Cl)C1 ZINC000183397661 552307903 /nfs/dbraw/zinc/30/79/03/552307903.db2.gz INEMXTATZSJQQI-LLVKDONJSA-N 1 0 386.823 2.690 20 0 GFADRO CN(C)c1cc[nH+]cc1C(=O)NCCC(=O)Nc1ccc(Br)cc1 ZINC000183531353 552312433 /nfs/dbraw/zinc/31/24/33/552312433.db2.gz JORPCOBICOUIAX-UHFFFAOYSA-N 1 0 391.269 2.669 20 0 GFADRO CC[C@H](CO)[NH+]1CCN([C@@H](C(=O)OC)c2cccc(Cl)c2Cl)CC1 ZINC000183597406 552314075 /nfs/dbraw/zinc/31/40/75/552314075.db2.gz IHKLAOZFSKKHJI-MLGOLLRUSA-N 1 0 375.296 2.596 20 0 GFADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)Nc1ccc(Br)cc1F ZINC000183914955 552322601 /nfs/dbraw/zinc/32/26/01/552322601.db2.gz XIFLOEXJRQBMGN-LBPRGKRZSA-N 1 0 387.297 2.736 20 0 GFADRO Cc1cccc(C(=O)NC(C)(C)CC[NH+]2CCN(C)CC2)c1Br ZINC000184202631 552329407 /nfs/dbraw/zinc/32/94/07/552329407.db2.gz DZAANKWPZHMTCW-UHFFFAOYSA-N 1 0 382.346 2.903 20 0 GFADRO CN1CC[NH+](CCC(C)(C)NC(=O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000184211672 552329656 /nfs/dbraw/zinc/32/96/56/552329656.db2.gz KKSDVVGFFIINEU-UHFFFAOYSA-N 1 0 388.339 2.905 20 0 GFADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)C1(c2cccc(Br)c2)CC1 ZINC000184293244 552331415 /nfs/dbraw/zinc/33/14/15/552331415.db2.gz KUBUBGDXMBOREX-HNNXBMFYSA-N 1 0 394.357 2.623 20 0 GFADRO C[C@H](CNC(=O)C(=O)Nc1cc(Cl)cc(C(F)(F)F)c1)[N@H+](C)C1CC1 ZINC000184315891 552332173 /nfs/dbraw/zinc/33/21/73/552332173.db2.gz QRYFWJWIVCSTQY-SECBINFHSA-N 1 0 377.794 2.896 20 0 GFADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)CCc1cc(Br)cs1 ZINC000184314968 552332215 /nfs/dbraw/zinc/33/22/15/552332215.db2.gz PRKBBSGYSNGWSX-ZDUSSCGKSA-N 1 0 388.375 2.585 20 0 GFADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)[C@H](C)Oc1cccc(Cl)c1Cl ZINC000184376126 552334186 /nfs/dbraw/zinc/33/41/86/552334186.db2.gz BMRIMQWHDMLAIX-KBPBESRZSA-N 1 0 388.339 2.903 20 0 GFADRO CN1CCN(S(=O)(=O)c2ccc(Br)cc2F)c2c[nH+]ccc21 ZINC000185111505 552354618 /nfs/dbraw/zinc/35/46/18/552354618.db2.gz RPISNTWDVXLFMR-UHFFFAOYSA-N 1 0 386.246 2.628 20 0 GFADRO Cc1cc(N2CC[C@H](N[C@H]3CC[N@H+](C)[C@H](C)C3)C2=O)ccc1Br ZINC000185359547 552361552 /nfs/dbraw/zinc/36/15/52/552361552.db2.gz GRXGDASURDDMNE-KEYYUXOJSA-N 1 0 380.330 2.935 20 0 GFADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)NCCSc1ccc(Cl)cc1 ZINC000185453557 552364029 /nfs/dbraw/zinc/36/40/29/552364029.db2.gz UVQKEUZASGKAFW-HNNXBMFYSA-N 1 0 384.977 2.757 20 0 GFADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)NCCc1ccc(Cl)cc1Cl ZINC000185448016 552364152 /nfs/dbraw/zinc/36/41/52/552364152.db2.gz DCRQADSFBDYTGL-CQSZACIVSA-N 1 0 387.355 2.861 20 0 GFADRO CC[C@H]([NH2+]CCCN1C(=O)NC(C)(C)C1=O)c1nc(C(F)(F)F)cs1 ZINC000185939872 552375204 /nfs/dbraw/zinc/37/52/04/552375204.db2.gz AQSHFWATEVKOHE-VIFPVBQESA-N 1 0 378.420 2.923 20 0 GFADRO Cc1ccc(-n2nc(Br)cc2C(=O)NCC2=CC[NH2+]CC2)cc1 ZINC000186298633 552384255 /nfs/dbraw/zinc/38/42/55/552384255.db2.gz CWEZOSQZPFCWQO-UHFFFAOYSA-N 1 0 375.270 2.593 20 0 GFADRO O=C(CCc1nc(-c2cc(Br)cs2)no1)NCC1=CC[NH2+]CC1 ZINC000186345912 552385497 /nfs/dbraw/zinc/38/54/97/552385497.db2.gz ZYSXBVIHTRTENR-UHFFFAOYSA-N 1 0 397.298 2.529 20 0 GFADRO COc1ccc(Br)cc1NC(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000186573382 552391230 /nfs/dbraw/zinc/39/12/30/552391230.db2.gz OWQVHIRTYJEYSU-UHFFFAOYSA-N 1 0 382.262 2.860 20 0 GFADRO Brc1cncc(C[NH2+]Cc2cccc(CN3CCOCC3)c2)c1 ZINC000186594386 552392065 /nfs/dbraw/zinc/39/20/65/552392065.db2.gz AQQHSXZCAKKZIC-UHFFFAOYSA-N 1 0 376.298 2.966 20 0 GFADRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)c1cc(Cl)ccc1I ZINC000186662153 552394252 /nfs/dbraw/zinc/39/42/52/552394252.db2.gz PJZMSQSCTXVWCD-PRHODGIISA-N 1 0 378.641 2.672 20 0 GFADRO CN(CC[N@H+](C)C1CC1)Cc1csc(-c2ccc(S(C)(=O)=O)cc2)n1 ZINC000186741708 552396565 /nfs/dbraw/zinc/39/65/65/552396565.db2.gz WPJGIBOODPMPKX-UHFFFAOYSA-N 1 0 379.551 2.740 20 0 GFADRO CN(CC[N@H+](C)C1CC1)C(=O)c1ncc(Br)cc1Br ZINC000186778957 552397686 /nfs/dbraw/zinc/39/76/86/552397686.db2.gz CUGGFSWUWZISPH-UHFFFAOYSA-N 1 0 391.107 2.773 20 0 GFADRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl ZINC000186797636 552398208 /nfs/dbraw/zinc/39/82/08/552398208.db2.gz IKEBGQJWSRWLRA-RLCCDNCMSA-N 1 0 384.307 2.712 20 0 GFADRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)c1[nH]c2ccccc2c1Br ZINC000186951684 552402408 /nfs/dbraw/zinc/40/24/08/552402408.db2.gz DDOGYZANOHZZQB-LBPRGKRZSA-N 1 0 394.313 2.848 20 0 GFADRO COc1c(Br)cccc1C[N@H+](CCO)CCOCC(F)(F)F ZINC000186962759 552402484 /nfs/dbraw/zinc/40/24/84/552402484.db2.gz ZAYFCKOGPZCXLN-UHFFFAOYSA-N 1 0 386.208 2.831 20 0 GFADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)Nc1ccsc1Cl ZINC000187565050 552419430 /nfs/dbraw/zinc/41/94/30/552419430.db2.gz XULJMINRWBGMLC-DOMZBBRYSA-N 1 0 377.897 2.977 20 0 GFADRO COC(=O)c1cc(NC(=O)N2CC[C@H](C[NH+](C)C)C2)ccc1Br ZINC000187752576 552423082 /nfs/dbraw/zinc/42/30/82/552423082.db2.gz CTPZJWXSXQDMMF-LLVKDONJSA-N 1 0 384.274 2.651 20 0 GFADRO O=S(=O)(NCCCC[N@H+]1CCC[C@@H]1CO)c1ccc(Cl)c(F)c1Cl ZINC000188036852 552432277 /nfs/dbraw/zinc/43/22/77/552432277.db2.gz WGDMFGSURBNLHQ-LLVKDONJSA-N 1 0 399.315 2.648 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)NC2CC[NH+](C(C)C)CC2)cc1Br ZINC000188049788 552432853 /nfs/dbraw/zinc/43/28/53/552432853.db2.gz IYUANEGJXTVIMN-UHFFFAOYSA-N 1 0 396.329 2.993 20 0 GFADRO Cc1cc(Br)cc(NC(=O)C(=O)NC[C@H](CC(C)C)[NH+](C)C)c1 ZINC000188055308 552432942 /nfs/dbraw/zinc/43/29/42/552432942.db2.gz SWUQVADTFYMWMT-HNNXBMFYSA-N 1 0 384.318 2.789 20 0 GFADRO C[C@H]1CN(C(=O)c2cc3c(cccc3Br)[nH]2)CC[N@@H+]1CC(C)(C)O ZINC000188613201 552450057 /nfs/dbraw/zinc/45/00/57/552450057.db2.gz RXAGXHQSZKFZSV-LBPRGKRZSA-N 1 0 394.313 2.848 20 0 GFADRO O=C(c1cnn(-c2cccc(Br)c2)c1)N1CC[NH+]2CCC1CC2 ZINC000188666827 552451335 /nfs/dbraw/zinc/45/13/35/552451335.db2.gz KFSURTHWSPGSMC-UHFFFAOYSA-N 1 0 375.270 2.555 20 0 GFADRO C[C@@H](C[NH2+]Cc1ccc(Br)cc1N1CCOCC1)Cn1ccnc1 ZINC000188711428 552453415 /nfs/dbraw/zinc/45/34/15/552453415.db2.gz PQLJTHMLYHJIMY-HNNXBMFYSA-N 1 0 393.329 2.908 20 0 GFADRO C[N@H+](CCCO)C1CCN(CCOc2cc(F)cc(Br)c2)CC1 ZINC000189014093 552460660 /nfs/dbraw/zinc/46/06/60/552460660.db2.gz RQUHTRKHSOTCBU-UHFFFAOYSA-N 1 0 389.309 2.746 20 0 GFADRO COC[C@H]1CN(CC(=O)N(C)Cc2cc(Cl)cc(Cl)c2)C[C@H](C)O1 ZINC000189413505 552471087 /nfs/dbraw/zinc/47/10/87/552471087.db2.gz SHUAVGCRYSWXJB-BLLLJJGKSA-N 1 0 375.296 2.688 20 0 GFADRO O=C(CCSc1ccccc1Br)NCC[N@@H+]1CCCOCC1 ZINC000189455346 552471756 /nfs/dbraw/zinc/47/17/56/552471756.db2.gz BTJIZZKLXQJXLJ-UHFFFAOYSA-N 1 0 387.343 2.770 20 0 GFADRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1CCC(=O)Nc1cccc(Br)c1 ZINC000189469185 552472598 /nfs/dbraw/zinc/47/25/98/552472598.db2.gz LQBZIDQKAPQLND-AWEZNQCLSA-N 1 0 398.345 2.555 20 0 GFADRO CC1(NC(=O)c2ccc(I)c(Cl)c2)CC[NH2+]CC1 ZINC000189746771 552478460 /nfs/dbraw/zinc/47/84/60/552478460.db2.gz WCWHZWAGOZHHGS-UHFFFAOYSA-N 1 0 378.641 2.817 20 0 GFADRO CCN(CCC[NH+](C)C)C(=O)C(=O)Nc1ccc(Cl)cc1Br ZINC000189827035 552480914 /nfs/dbraw/zinc/48/09/14/552480914.db2.gz OOEHTGSRSWCAMU-UHFFFAOYSA-N 1 0 390.709 2.841 20 0 GFADRO CC[NH+]1CCC(CCNC(=O)Nc2ccc(Cl)c(S(C)(=O)=O)c2)CC1 ZINC000189878459 552481721 /nfs/dbraw/zinc/48/17/21/552481721.db2.gz YESXTMVFKFHLHP-UHFFFAOYSA-N 1 0 387.933 2.987 20 0 GFADRO Cc1cccc(NC(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)c1Br ZINC000190023170 552485371 /nfs/dbraw/zinc/48/53/71/552485371.db2.gz RMKGQUYOTQDCSM-CQSZACIVSA-N 1 0 394.313 2.783 20 0 GFADRO O=C(Nc1cc(Br)ccc1F)C(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000190035012 552486010 /nfs/dbraw/zinc/48/60/10/552486010.db2.gz DVBQPRUIXVRKJJ-CYBMUJFWSA-N 1 0 398.276 2.614 20 0 GFADRO Cc1cc(NC(=O)C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)cc(C)c1Br ZINC000190605209 552502871 /nfs/dbraw/zinc/50/28/71/552502871.db2.gz UWZJOINLLLZXPW-HIFRSBDPSA-N 1 0 396.329 2.993 20 0 GFADRO CCO[C@@H](CC[NH+](C)C)CNC(=O)C(=O)Nc1cc(Cl)c(F)c(Cl)c1 ZINC000190617081 552503421 /nfs/dbraw/zinc/50/34/21/552503421.db2.gz WAPMAHOOLPTUQJ-NSHDSACASA-N 1 0 394.274 2.544 20 0 GFADRO CNC(=O)CC1CCN([C@@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)CC1 ZINC000190621576 552503586 /nfs/dbraw/zinc/50/35/86/552503586.db2.gz CIYUHDFREBLZRX-MRXNPFEDSA-N 1 0 384.307 2.947 20 0 GFADRO C[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2cc(Cl)c(Br)cc2F)C1 ZINC000190716182 552506796 /nfs/dbraw/zinc/50/67/96/552506796.db2.gz QDZKKNNYSZZSLH-VIFPVBQESA-N 1 0 399.713 2.862 20 0 GFADRO CCN(C)c1ccc(C[NH2+]CCNC(=O)c2ccc(Br)cc2)cn1 ZINC000190844651 552510610 /nfs/dbraw/zinc/51/06/10/552510610.db2.gz BYWGHLPMFBGFSG-UHFFFAOYSA-N 1 0 391.313 2.820 20 0 GFADRO O=C(CC[NH2+]Cc1ccc(Br)o1)N1CCN(c2ccccc2)CC1 ZINC000190912019 552513502 /nfs/dbraw/zinc/51/35/02/552513502.db2.gz OPWAMVBWAAJATB-UHFFFAOYSA-N 1 0 392.297 2.871 20 0 GFADRO CCO[C@@H](C)C(=O)Nc1ccc(CN2CC[NH+](C)CC2)c(Br)c1 ZINC000191083569 552517855 /nfs/dbraw/zinc/51/78/55/552517855.db2.gz LSMQDHMGXXOIBQ-ZDUSSCGKSA-N 1 0 384.318 2.560 20 0 GFADRO C[C@H]1CC[C@H](C(=O)Nc2ccc(CN3CC[NH+](C)CC3)c(Br)c2)O1 ZINC000191084264 552518284 /nfs/dbraw/zinc/51/82/84/552518284.db2.gz AGUGJJOUYIVLSY-SUMWQHHRSA-N 1 0 396.329 2.703 20 0 GFADRO Cc1ccc(C[NH2+][C@H]2CCCC[C@@H]2S(C)(=O)=O)c(-n2cc(Cl)cn2)n1 ZINC000191531488 552531049 /nfs/dbraw/zinc/53/10/49/552531049.db2.gz RLDXXZRCPLDFPF-HOTGVXAUSA-N 1 0 382.917 2.675 20 0 GFADRO COC(=O)[C@H]1CC[N@H+](CCC(=O)Nc2cccc(Br)c2)C[C@@H]1C ZINC000191860678 552540413 /nfs/dbraw/zinc/54/04/13/552540413.db2.gz TYPXPLGBBWGGQD-WFASDCNBSA-N 1 0 383.286 2.909 20 0 GFADRO Cn1nc(Br)cc1C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000191886083 552541125 /nfs/dbraw/zinc/54/11/25/552541125.db2.gz SMFHBMFOWSHOQG-LBPRGKRZSA-N 1 0 383.315 2.811 20 0 GFADRO Cc1cc(S(=O)(=O)N2CCC(N3CCO[C@@H](C)C3)CC2)sc1Cl ZINC000191898212 552541831 /nfs/dbraw/zinc/54/18/31/552541831.db2.gz ARQFQAHBCXOLBP-LBPRGKRZSA-N 1 0 378.947 2.584 20 0 GFADRO Cc1cc(F)c(Br)cc1NC(=O)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000191923214 552542760 /nfs/dbraw/zinc/54/27/60/552542760.db2.gz OGTLNBAJEABKLW-UHFFFAOYSA-N 1 0 398.276 2.578 20 0 GFADRO Cc1cc(F)c(Br)cc1NC(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000191946796 552543879 /nfs/dbraw/zinc/54/38/79/552543879.db2.gz AJMSRULHKDZJSI-GFCCVEGCSA-N 1 0 398.276 2.532 20 0 GFADRO COC(=O)[C@H](c1ccc(Cl)c(Cl)c1)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000192041686 552547211 /nfs/dbraw/zinc/54/72/11/552547211.db2.gz KWSWFHWXNSWBQJ-DYVFJYSZSA-N 1 0 387.307 2.862 20 0 GFADRO Cn1nc(Br)cc1C(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1 ZINC000192080345 552549761 /nfs/dbraw/zinc/54/97/61/552549761.db2.gz CIXHAXDZENZJNU-UHFFFAOYSA-N 1 0 392.301 2.577 20 0 GFADRO CC(C)[C@@H](CNC(=O)c1cccc(Br)c1F)[NH+]1CCN(C)CC1 ZINC000192105163 552551031 /nfs/dbraw/zinc/55/10/31/552551031.db2.gz QFLGOTHIVFLZAZ-OAHLLOKOSA-N 1 0 386.309 2.590 20 0 GFADRO CN(CC[N@H+](C)C1CC1)C(=O)C(=O)Nc1cccc(Cl)c1Br ZINC000192198137 552555632 /nfs/dbraw/zinc/55/56/32/552555632.db2.gz MVUBLQNLGMAUNT-UHFFFAOYSA-N 1 0 388.693 2.594 20 0 GFADRO Cc1nccc(N2CCN(C(=O)c3cccc(Br)c3F)CC2)n1 ZINC000192210510 552556217 /nfs/dbraw/zinc/55/62/17/552556217.db2.gz CNXITXHXEHBFCJ-UHFFFAOYSA-N 1 0 379.233 2.649 20 0 GFADRO COC(=O)c1cccc(NC(=O)NC[C@@H]2CCC[N@H+](C)C2)c1Br ZINC000192425129 552563086 /nfs/dbraw/zinc/56/30/86/552563086.db2.gz LFHXIFOIDARYJG-NSHDSACASA-N 1 0 384.274 2.699 20 0 GFADRO C[N@H+]1C[C@H]2CN(C(=O)Cc3csc(Cc4cccc(Cl)c4)n3)C[C@H]2C1 ZINC000192501330 552565867 /nfs/dbraw/zinc/56/58/67/552565867.db2.gz MEUIWBUYAFIRIX-GASCZTMLSA-N 1 0 375.925 2.950 20 0 GFADRO CC[NH+](CC)C[C@@H]1CCN(S(=O)(=O)c2cc(OC)c(OC)cc2Cl)C1 ZINC000192821095 552974581 /nfs/dbraw/zinc/97/45/81/552974581.db2.gz SMJJMCKBKKAUBP-ZDUSSCGKSA-N 1 0 390.933 2.710 20 0 GFADRO COc1cc(Cl)c(S(=O)(=O)NC2CCC(C[NH+](C)C)CC2)cc1OC ZINC000192823853 552975361 /nfs/dbraw/zinc/97/53/61/552975361.db2.gz ASOSBZWZQRVLAQ-UHFFFAOYSA-N 1 0 390.933 2.756 20 0 GFADRO Cc1ccc(NC(=O)C(=O)NCCC[NH+]2CCCCC2)c(Br)c1 ZINC000192844015 552975634 /nfs/dbraw/zinc/97/56/34/552975634.db2.gz RBMGYODVSIKPQA-UHFFFAOYSA-N 1 0 382.302 2.688 20 0 GFADRO C[C@H]([NH2+]CC(=O)NC(=O)NCc1ccco1)c1ccc(Br)cc1 ZINC000192850209 552976274 /nfs/dbraw/zinc/97/62/74/552976274.db2.gz XZISTMAJYJLGFO-NSHDSACASA-N 1 0 380.242 2.719 20 0 GFADRO CC(=O)CCC(=O)NC1CC[NH+](CCOc2ccc(Br)cc2)CC1 ZINC000192930444 552978485 /nfs/dbraw/zinc/97/84/85/552978485.db2.gz MWDJRUCWGKNRQK-UHFFFAOYSA-N 1 0 397.313 2.778 20 0 GFADRO C[C@@H]1CCCC[C@]1(C[NH3+])NS(=O)(=O)c1cc(F)ccc1Br ZINC000193038801 552981465 /nfs/dbraw/zinc/98/14/65/552981465.db2.gz HLLZMNZHZITBOK-QMTHXVAHSA-N 1 0 379.295 2.774 20 0 GFADRO O=C(CNC(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1)Nc1cc(Cl)ccc1Cl ZINC000193098018 552983273 /nfs/dbraw/zinc/98/32/73/552983273.db2.gz AVGRVRISXIUVFW-NSHDSACASA-N 1 0 385.295 2.715 20 0 GFADRO O=S(=O)(NCC[NH2+]C1CC1)c1ccc(Br)c(Cl)c1Cl ZINC000193258947 552987894 /nfs/dbraw/zinc/98/78/94/552987894.db2.gz DBYJOWSWYOSPJD-UHFFFAOYSA-N 1 0 388.114 2.786 20 0 GFADRO C[C@H]([NH3+])CCNS(=O)(=O)c1cc(Br)c(Cl)cc1Cl ZINC000193254474 552987979 /nfs/dbraw/zinc/98/79/79/552987979.db2.gz SFFQSVWKPXLONX-LURJTMIESA-N 1 0 376.103 2.772 20 0 GFADRO C[NH2+]C[C@@H](C)CNS(=O)(=O)c1cc(C(F)(F)F)ccc1Br ZINC000193276485 552988430 /nfs/dbraw/zinc/98/84/30/552988430.db2.gz KEQSHAFKJRRMGN-MRVPVSSYSA-N 1 0 389.237 2.602 20 0 GFADRO O=C(NC1CC[NH+](Cc2cccnc2)CC1)c1ncccc1Br ZINC000193269496 552988585 /nfs/dbraw/zinc/98/85/85/552988585.db2.gz PFINNJWVDNJMRE-UHFFFAOYSA-N 1 0 375.270 2.634 20 0 GFADRO Cc1cc(Br)ccc1S(=O)(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000193294620 552989725 /nfs/dbraw/zinc/98/97/25/552989725.db2.gz IFVPRHAQVOICFR-UHFFFAOYSA-N 1 0 387.343 2.910 20 0 GFADRO C[NH2+][C@@H]1CCCN(S(=O)(=O)c2ccc3cc(Br)ccc3c2)C1 ZINC000193332528 552990722 /nfs/dbraw/zinc/99/07/22/552990722.db2.gz NFZSEFUENJPVGN-OAHLLOKOSA-N 1 0 383.311 2.975 20 0 GFADRO O=C(Nc1ccccc1Br)C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000193631153 552998862 /nfs/dbraw/zinc/99/88/62/552998862.db2.gz QHUMFMSPIGRDPL-UHFFFAOYSA-N 1 0 394.313 2.722 20 0 GFADRO Cc1cc(NC(=O)C(=O)NC2CC[NH+](CC3CC3)CC2)ccc1Br ZINC000193704810 553001074 /nfs/dbraw/zinc/00/10/74/553001074.db2.gz CKFQSWTXTJPXNY-UHFFFAOYSA-N 1 0 394.313 2.687 20 0 GFADRO C[NH+]1CCC2(CC1)C[C@@H](NC(=O)[C@H]1CSCCS1)c1ccccc1O2 ZINC000193974661 553008625 /nfs/dbraw/zinc/00/86/25/553008625.db2.gz JDUADQWNEJJZLU-NVXWUHKLSA-N 1 0 378.563 2.939 20 0 GFADRO CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2c(C)cc(Br)cc2C)C1 ZINC000194154047 553013363 /nfs/dbraw/zinc/01/33/63/553013363.db2.gz SQOIKNKHVAOIML-CQSZACIVSA-N 1 0 382.302 2.605 20 0 GFADRO C[NH+](C)CCC1CCN(C(=O)[C@@H]2Cc3cc(Br)ccc3O2)CC1 ZINC000194306822 553016803 /nfs/dbraw/zinc/01/68/03/553016803.db2.gz MVKWWDQTAKCHRJ-KRWDZBQOSA-N 1 0 381.314 2.943 20 0 GFADRO C[C@H](NC(=O)c1csc(CC[NH3+])n1)c1noc(-c2ccc(Cl)cc2)n1 ZINC000194823513 553030991 /nfs/dbraw/zinc/03/09/91/553030991.db2.gz OTAYJNXJMMISTD-VIFPVBQESA-N 1 0 377.857 2.839 20 0 GFADRO CC(C)Oc1nnc(SCC(=O)NC[C@H](c2ccccc2)[NH+](C)C)s1 ZINC000194838635 553031641 /nfs/dbraw/zinc/03/16/41/553031641.db2.gz UBFONVOYTDLFNS-CQSZACIVSA-N 1 0 380.539 2.837 20 0 GFADRO CC(C)Sc1c(Cl)cccc1NC(=O)C(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000194928453 553034287 /nfs/dbraw/zinc/03/42/87/553034287.db2.gz GRRNNAUPCITTQV-BETUJISGSA-N 1 0 381.929 2.799 20 0 GFADRO CN(CCCNC(=O)[C@@](C)([NH3+])c1ccc(Br)cc1)CC(F)(F)F ZINC000294199968 563833818 /nfs/dbraw/zinc/83/38/18/563833818.db2.gz VNENTWVQNUOOMN-AWEZNQCLSA-N 1 0 396.251 2.623 20 0 GFADRO COc1ccc(S(=O)(=O)NC[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)cn1 ZINC000195301292 553044205 /nfs/dbraw/zinc/04/42/05/553044205.db2.gz FXLILMUXBUMBAB-CXAGYDPISA-N 1 0 381.523 2.513 20 0 GFADRO CC1CC[NH+](CCCNS(=O)(=O)N(C)Cc2c(F)cccc2Cl)CC1 ZINC000219650094 553054586 /nfs/dbraw/zinc/05/45/86/553054586.db2.gz CCGKQPXGDUINDG-UHFFFAOYSA-N 1 0 391.940 2.867 20 0 GFADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3ccccc3I)CC[C@H]21 ZINC000227337039 553062513 /nfs/dbraw/zinc/06/25/13/553062513.db2.gz NFWUTWRGZACUEO-IUODEOHRSA-N 1 0 384.261 2.848 20 0 GFADRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3ccccc3I)CC[C@H]21 ZINC000227337048 553062569 /nfs/dbraw/zinc/06/25/69/553062569.db2.gz NFWUTWRGZACUEO-SWLSCSKDSA-N 1 0 384.261 2.848 20 0 GFADRO C[NH+]1CCC(C)(CNC(=O)c2ccc(F)cc2I)CC1 ZINC000227506915 553062584 /nfs/dbraw/zinc/06/25/84/553062584.db2.gz ADHULYWBJGFECP-UHFFFAOYSA-N 1 0 390.240 2.892 20 0 GFADRO [NH3+]CCC1CCN(S(=O)(=O)c2ccc(Cl)c(Br)c2)CC1 ZINC000236167097 553068410 /nfs/dbraw/zinc/06/84/10/553068410.db2.gz GCTBSOFPDRLPLQ-UHFFFAOYSA-N 1 0 381.723 2.852 20 0 GFADRO O=C(NCCC[NH2+]C1CC1)c1cc(Cl)ccc1I ZINC000236065590 553068513 /nfs/dbraw/zinc/06/85/13/553068513.db2.gz VVZPUQODWYRMHE-UHFFFAOYSA-N 1 0 378.641 2.817 20 0 GFADRO CC(C)(C[NH3+])C(=O)N1CCC(C(=O)Nc2ccccc2Br)CC1 ZINC000236593072 553069578 /nfs/dbraw/zinc/06/95/78/553069578.db2.gz OBMBALVWNUZQSZ-UHFFFAOYSA-N 1 0 382.302 2.611 20 0 GFADRO O=C(COc1ccc(Br)cc1)NCCC[NH2+]Cc1cccnc1 ZINC000236621364 553069761 /nfs/dbraw/zinc/06/97/61/553069761.db2.gz IKQLYZBCDSKBDY-UHFFFAOYSA-N 1 0 378.270 2.519 20 0 GFADRO CC(C)[C@H]([NH3+])CCN(C)S(=O)(=O)c1cc(Br)c(F)cc1F ZINC000236652091 553070296 /nfs/dbraw/zinc/07/02/96/553070296.db2.gz ARYXHSLIVBWZNA-GFCCVEGCSA-N 1 0 385.274 2.721 20 0 GFADRO Brc1cccc(-c2c[nH]c(C[NH2+]CCc3nnc4n3CCC4)n2)c1 ZINC000236661750 553070313 /nfs/dbraw/zinc/07/03/13/553070313.db2.gz JOYPRRGAGBGUQI-UHFFFAOYSA-N 1 0 387.285 2.709 20 0 GFADRO O=C(CCC[S@](=O)c1ccc(Br)cc1)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000236747596 553071137 /nfs/dbraw/zinc/07/11/37/553071137.db2.gz YVSKNJJPTPTJDN-DFDCNSOMSA-N 1 0 399.354 2.736 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)N1CCC(C[NH3+])CC1 ZINC000236824813 553071639 /nfs/dbraw/zinc/07/16/39/553071639.db2.gz DCMPZLVGUFZKLV-AWEZNQCLSA-N 1 0 384.567 2.548 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)N1CCC[C@@H]1C[NH2+]C ZINC000236827922 553071699 /nfs/dbraw/zinc/07/16/99/553071699.db2.gz ZLHAGIYUWZNPGX-HUUCEWRRSA-N 1 0 384.567 2.561 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)N1CCC([NH2+]C)CC1 ZINC000236827696 553071843 /nfs/dbraw/zinc/07/18/43/553071843.db2.gz XXIDRLIGCIOTKK-CQSZACIVSA-N 1 0 384.567 2.561 20 0 GFADRO CCCC[C@@H](C[NH3+])NC(=O)[C@@H]1CCCN1C(=O)c1ccc(Br)cc1 ZINC000236840107 553072095 /nfs/dbraw/zinc/07/20/95/553072095.db2.gz BLZLHPSIKRXKCZ-HOTGVXAUSA-N 1 0 396.329 2.687 20 0 GFADRO CCc1c(C(=O)N2CCC([NH3+])CC2)cnn1-c1ccc(Br)cc1 ZINC000237091675 553074366 /nfs/dbraw/zinc/07/43/66/553074366.db2.gz UZJDOJHBLZQACI-UHFFFAOYSA-N 1 0 377.286 2.761 20 0 GFADRO COc1ccc(Br)cc1C(=O)CCC(=O)N1C[C@H](C)[NH2+]C[C@H]1C ZINC000237110162 553074808 /nfs/dbraw/zinc/07/48/08/553074808.db2.gz XVCNQEKOQDVUDW-NWDGAFQWSA-N 1 0 383.286 2.629 20 0 GFADRO Cc1cn2c(nc(C)c2C[NH2+]Cc2ccc(S(=O)(=O)N(C)C)cc2)s1 ZINC000237119514 553075074 /nfs/dbraw/zinc/07/50/74/553075074.db2.gz KVAZVZBVYPAFIS-UHFFFAOYSA-N 1 0 378.523 2.553 20 0 GFADRO COC(=O)C[C@H](NC(=O)[C@@H]1CCC[C@@H]([NH3+])C1)c1cccc(Br)c1 ZINC000237220356 553076110 /nfs/dbraw/zinc/07/61/10/553076110.db2.gz FQVQOHUWXYUVFZ-YUELXQCFSA-N 1 0 383.286 2.687 20 0 GFADRO C[NH2+]C[C@@H]1CCCN(C(=O)c2cnn(-c3ccc(Br)cc3)c2)C1 ZINC000237264280 553076377 /nfs/dbraw/zinc/07/63/77/553076377.db2.gz IDLOSGLZLRCPCV-ZDUSSCGKSA-N 1 0 377.286 2.706 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)c1ccc(S(=O)(=O)c2ccccc2)s1 ZINC000237383439 553076981 /nfs/dbraw/zinc/07/69/81/553076981.db2.gz DCHNDVRIXQTHOK-HIFRSBDPSA-N 1 0 378.519 2.923 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)c1cc(=O)c2cc(Br)ccc2[nH]1 ZINC000237375930 553077163 /nfs/dbraw/zinc/07/71/63/553077163.db2.gz GHIYTVJEELLYOQ-BMIGLBTASA-N 1 0 378.270 2.633 20 0 GFADRO Cc1c(C(=O)N2CCC[C@@H]([C@H](C)[NH3+])C2)nnn1-c1cccc(Br)c1 ZINC000237512905 553078864 /nfs/dbraw/zinc/07/88/64/553078864.db2.gz NDFIZNXEVBVQHJ-WCQYABFASA-N 1 0 392.301 2.538 20 0 GFADRO C[C@@H]1CN(C(=O)CCc2nc(-c3cc(Br)cs3)no2)[C@H](C)C[NH2+]1 ZINC000237572374 553079464 /nfs/dbraw/zinc/07/94/64/553079464.db2.gz OOBDYJGVASOVCA-NXEZZACHSA-N 1 0 399.314 2.702 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000237558198 553079579 /nfs/dbraw/zinc/07/95/79/553079579.db2.gz WVBXSWTWPOHBSZ-TZMCWYRMSA-N 1 0 382.302 2.720 20 0 GFADRO C[C@]1(C(=O)NC[C@H]2CCN(c3ccc(Br)cc3)C2)CCCC[NH2+]1 ZINC000237566713 553079635 /nfs/dbraw/zinc/07/96/35/553079635.db2.gz WGNWFCZHTLSCDA-RDTXWAMCSA-N 1 0 380.330 2.924 20 0 GFADRO C[C@]1(C(=O)Nc2ncn(Cc3cccc(Br)c3)n2)CCCC[NH2+]1 ZINC000237637208 553079868 /nfs/dbraw/zinc/07/98/68/553079868.db2.gz NFTIGYDSZHNOOM-MRXNPFEDSA-N 1 0 378.274 2.560 20 0 GFADRO C[C@@](C[NH3+])(NC(=O)CCC[S@@](=O)c1ccc(Br)cc1)C1CC1 ZINC000237621095 553080030 /nfs/dbraw/zinc/08/00/30/553080030.db2.gz BRKOEQFIYUBDMN-KSFYIVLOSA-N 1 0 387.343 2.581 20 0 GFADRO Cc1nn(-c2ccc(C(=O)N[C@@H](C[NH3+])C3CC3)cc2)c(C)c1Br ZINC000237668188 553080537 /nfs/dbraw/zinc/08/05/37/553080537.db2.gz YJCJWNYVQLNRBN-HNNXBMFYSA-N 1 0 377.286 2.719 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH2+]CCN1CCOCC1 ZINC000237698936 553080695 /nfs/dbraw/zinc/08/06/95/553080695.db2.gz WTLWUEUKVHEZRW-UHFFFAOYSA-N 1 0 393.329 2.673 20 0 GFADRO [NH3+]CCCOC1CCN(C(=O)CCCOc2cccc(Br)c2)CC1 ZINC000237816431 553082381 /nfs/dbraw/zinc/08/23/81/553082381.db2.gz POPHDFRDQAJRCX-UHFFFAOYSA-N 1 0 399.329 2.965 20 0 GFADRO [NH3+]CCCNC(=O)c1cnn(-c2ncc(Cl)cc2Cl)c1C(F)(F)F ZINC000237809154 553082394 /nfs/dbraw/zinc/08/23/94/553082394.db2.gz UNJLUYUJXDQSOX-UHFFFAOYSA-N 1 0 382.173 2.672 20 0 GFADRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(I)c(F)c1 ZINC000237888426 553083221 /nfs/dbraw/zinc/08/32/21/553083221.db2.gz NDHWIVJFOCVFER-GWCFXTLKSA-N 1 0 376.213 2.678 20 0 GFADRO [NH3+]C[C@H]1CCCN(C(=O)[C@H]2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)C1 ZINC000237876474 553083539 /nfs/dbraw/zinc/08/35/39/553083539.db2.gz AGCNTRDNPIAGSD-MLGOLLRUSA-N 1 0 384.307 2.795 20 0 GFADRO [NH3+]Cc1ccc(C(=O)NC[C@@H]2CCN(c3cccc(Br)c3)C2)o1 ZINC000237971040 553084531 /nfs/dbraw/zinc/08/45/31/553084531.db2.gz RTNLNGFBIROQQQ-LBPRGKRZSA-N 1 0 378.270 2.757 20 0 GFADRO C[C@@H]1CCC[C@@H]([NH2+]CC(=O)NCC(=O)Nc2ccccc2Br)[C@H]1C ZINC000245384082 553089222 /nfs/dbraw/zinc/08/92/22/553089222.db2.gz UAFUUTFEIBKLQC-VNHYZAJKSA-N 1 0 396.329 2.918 20 0 GFADRO CCC[N@H+](C)C[C@H]1CCN([C@@H](C(N)=O)c2ccc(Br)cc2F)C1 ZINC000245444656 553091046 /nfs/dbraw/zinc/09/10/46/553091046.db2.gz YGFMOALEKJJBAF-MLGOLLRUSA-N 1 0 386.309 2.778 20 0 GFADRO C[C@@](O)(CN1CCC[C@@H](c2nccs2)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000245562297 553092525 /nfs/dbraw/zinc/09/25/25/553092525.db2.gz LJWKDGPPYPDKSW-RDTXWAMCSA-N 1 0 380.535 2.634 20 0 GFADRO C[C@@H](C(=O)NCCCC[N@@H+]1CCC[C@H]1CO)c1ccc(Br)s1 ZINC000245674219 553094906 /nfs/dbraw/zinc/09/49/06/553094906.db2.gz GERJLROHDFHGFN-OLZOCXBDSA-N 1 0 389.359 2.967 20 0 GFADRO C[C@H](C(=O)N1CCc2sccc2C1)N1CCN(CC(F)(F)F)[C@H](C)C1 ZINC000245744177 553096588 /nfs/dbraw/zinc/09/65/88/553096588.db2.gz WHFBEICAJHHVIN-CHWSQXEVSA-N 1 0 375.460 2.590 20 0 GFADRO C[N@H+](C[C@@H](O)COc1ccccc1)[C@H](CO)c1cccc(Br)c1 ZINC000245973138 553100191 /nfs/dbraw/zinc/10/01/91/553100191.db2.gz WQGJIYIYGDMZIF-SJLPKXTDSA-N 1 0 380.282 2.854 20 0 GFADRO COC(=O)c1cc(NC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)ccc1Br ZINC000246039821 553101681 /nfs/dbraw/zinc/10/16/81/553101681.db2.gz NMCKKTOSBTZSFV-YPMHNXCESA-N 1 0 396.285 2.936 20 0 GFADRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1c(F)cccc1I ZINC000246076447 553102413 /nfs/dbraw/zinc/10/24/13/553102413.db2.gz YUIUHYUCPSLFEL-GXFFZTMASA-N 1 0 390.240 2.843 20 0 GFADRO CN1CC[C@H](NS(=O)(=O)C[C@H]2CCCCO2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000246188434 553103786 /nfs/dbraw/zinc/10/37/86/553103786.db2.gz DISQBJAILBMZAD-COXVUDFISA-N 1 0 390.908 2.713 20 0 GFADRO CCC[N@H+](C[C@H](O)CO[C@H](C)c1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000246266150 553104853 /nfs/dbraw/zinc/10/48/53/553104853.db2.gz LXGCBLQHJPYYCG-OLMNPRSZSA-N 1 0 389.945 2.678 20 0 GFADRO C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)N1CC[C@@H](C[NH+](C)C)C1 ZINC000246284668 553105863 /nfs/dbraw/zinc/10/58/63/553105863.db2.gz AAGXORMGYZZJSM-ZBFHGGJFSA-N 1 0 382.346 2.680 20 0 GFADRO Cc1ccc(S(=O)(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)cc1Br ZINC000246478071 553108657 /nfs/dbraw/zinc/10/86/57/553108657.db2.gz AUZHVYIVTKUGKB-XJKSGUPXSA-N 1 0 387.343 2.862 20 0 GFADRO C[C@@H](CS(C)(=O)=O)N(C[C@@H](O)Cc1ccccc1C(F)(F)F)C1CC1 ZINC000246635600 553110406 /nfs/dbraw/zinc/11/04/06/553110406.db2.gz JHXDLYGUUPXRGI-WFASDCNBSA-N 1 0 379.444 2.506 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCO[C@@]2(CCSC2)C1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000246594569 553110697 /nfs/dbraw/zinc/11/06/97/553110697.db2.gz ZSDMSOOEPVZLMJ-LESCRADOSA-N 1 0 384.567 2.642 20 0 GFADRO COc1ccc(Br)c(CC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c1 ZINC000246669734 553111628 /nfs/dbraw/zinc/11/16/28/553111628.db2.gz MATOAGSEQLEHMV-SUMWQHHRSA-N 1 0 381.314 2.943 20 0 GFADRO O=C([C@@H]1C[C@@H]1c1cccc(Br)c1)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246816606 553113343 /nfs/dbraw/zinc/11/33/43/553113343.db2.gz SHZZDJYWTDLTQY-BMGDILEWSA-N 1 0 393.325 2.733 20 0 GFADRO C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@H+](C)C[C@H]1CCC[C@@H]1O ZINC000246811021 553113537 /nfs/dbraw/zinc/11/35/37/553113537.db2.gz PVXPZGJVHRTQKK-UNEWFSDZSA-N 1 0 383.330 2.889 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)Cc2ccc(Br)cc2)[C@@H](C)C1 ZINC000246867709 553114282 /nfs/dbraw/zinc/11/42/82/553114282.db2.gz DGRHYULQUMQHPN-BBRMVZONSA-N 1 0 389.359 2.941 20 0 GFADRO C[C@@H](CNC(=O)N[C@H](CO)c1cccc(Br)c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000246908501 553114840 /nfs/dbraw/zinc/11/48/40/553114840.db2.gz MOTMBFLNXZRDCI-JKIFEVAISA-N 1 0 398.345 2.902 20 0 GFADRO O[C@H](COc1c(Cl)cccc1Cl)C[N@@H+]1CCC[C@@H](Cn2ccnn2)C1 ZINC000246913887 553115483 /nfs/dbraw/zinc/11/54/83/553115483.db2.gz YCOQFJCJWIRBGD-KGLIPLIRSA-N 1 0 385.295 2.737 20 0 GFADRO CCOCCC[N@@H+]1CC[C@H](NS(=O)(=O)c2ccc(Cl)s2)[C@@H](C)C1 ZINC000247089332 553118632 /nfs/dbraw/zinc/11/86/32/553118632.db2.gz DNTZYQKKRXFZLV-STQMWFEESA-N 1 0 380.963 2.817 20 0 GFADRO C[N@@H+]1CCC[C@H]2CN(CC(=O)Nc3ccc(Br)cc3F)CC[C@H]21 ZINC000247314229 553121486 /nfs/dbraw/zinc/12/14/86/553121486.db2.gz VRCJYTAEZAAGRB-BLLLJJGKSA-N 1 0 384.293 2.943 20 0 GFADRO C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N(C)[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000247353783 553121569 /nfs/dbraw/zinc/12/15/69/553121569.db2.gz JUNDOOXCNAHPCY-SLEUVZQESA-N 1 0 386.323 2.910 20 0 GFADRO O[C@H](COc1ccc(Cl)cc1Br)C[N@@H+]1CC[C@@]2(CCOC2)C1 ZINC000247455721 553122148 /nfs/dbraw/zinc/12/21/48/553122148.db2.gz TXPQGNALVQXFNI-XJKSGUPXSA-N 1 0 390.705 2.955 20 0 GFADRO CC[C@@H]1CN([C@H](C)C(=O)Nc2ccccc2Br)CC[N@@H+]1C[C@@H](C)O ZINC000247778015 553126068 /nfs/dbraw/zinc/12/60/68/553126068.db2.gz REMFQPGLAYTABZ-RBSFLKMASA-N 1 0 398.345 2.553 20 0 GFADRO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@H](C)[C@H](C)N1CCOCC1 ZINC000247923534 553126662 /nfs/dbraw/zinc/12/66/62/553126662.db2.gz BKPOVFZADINCJP-KFWWJZLASA-N 1 0 398.345 2.865 20 0 GFADRO C[C@H](O)C[N@@H+]1CCN(C(=O)Cc2csc(-c3ccc(Cl)s3)n2)[C@H](C)C1 ZINC000248655241 553132586 /nfs/dbraw/zinc/13/25/86/553132586.db2.gz QHNXPDOIAYUCLS-NEPJUHHUSA-N 1 0 399.969 2.981 20 0 GFADRO Cc1cc(F)c(Br)cc1NC(=O)C(=O)N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000248885854 553136755 /nfs/dbraw/zinc/13/67/55/553136755.db2.gz HMAMUTDGTVBNNR-VXGBXAGGSA-N 1 0 398.276 2.530 20 0 GFADRO Cc1cc(Br)cc(S(=O)(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c1 ZINC000249053481 553138516 /nfs/dbraw/zinc/13/85/16/553138516.db2.gz CHIYFFHVJSBJCA-XJKSGUPXSA-N 1 0 387.343 2.862 20 0 GFADRO CC(=O)N1CC[C@H](C[N@@H+](C)[C@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)C1 ZINC000249073927 553138962 /nfs/dbraw/zinc/13/89/62/553138962.db2.gz LLHRHDXQVDOYEC-DYVFJYSZSA-N 1 0 384.307 2.899 20 0 GFADRO CCO[C@@H]1C[C@@]([NH3+])(C(=O)NC[C@H](C)Oc2ccccc2Br)C1(C)C ZINC000249072286 553139213 /nfs/dbraw/zinc/13/92/13/553139213.db2.gz LPEVMXIZKILWTQ-WBHUJUFNSA-N 1 0 399.329 2.865 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2cccc(Br)c2C)[C@@H](C)C1 ZINC000249137204 553139345 /nfs/dbraw/zinc/13/93/45/553139345.db2.gz FAJNQNZOQAEDSB-BLLLJJGKSA-N 1 0 396.329 2.885 20 0 GFADRO C[C@H](O)CN1CCN(C(=O)c2ccc(Br)c(Cl)c2)[C@@H](C)C1 ZINC000249161395 553140381 /nfs/dbraw/zinc/14/03/81/553140381.db2.gz YYODDDNGFIMXDO-QWRGUYRKSA-N 1 0 375.694 2.630 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)cc1Br ZINC000249223818 553140960 /nfs/dbraw/zinc/14/09/60/553140960.db2.gz UTDDZUUEFXMQQG-CZUORRHYSA-N 1 0 396.329 2.803 20 0 GFADRO C[C@H](C(=O)Nc1ccc(Br)cc1)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000249400536 553142895 /nfs/dbraw/zinc/14/28/95/553142895.db2.gz SMIRAQIKPKOJLF-ZIAGYGMSSA-N 1 0 398.345 2.553 20 0 GFADRO C[C@H]1CC[N@H+](CCC(=O)Nc2ccc(Br)cc2F)[C@@H](C(N)=O)C1 ZINC000249537824 553144198 /nfs/dbraw/zinc/14/41/98/553144198.db2.gz CYZGBYPPBUGWAG-IINYFYTJSA-N 1 0 386.265 2.503 20 0 GFADRO CCCNC(=O)[C@@H]1CCC[N@H+](C[C@@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000250524218 553147401 /nfs/dbraw/zinc/14/74/01/553147401.db2.gz PICDRYBAMFFUQX-ZIAGYGMSSA-N 1 0 389.323 2.971 20 0 GFADRO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)c1cncc(Br)c1 ZINC000252444727 553149776 /nfs/dbraw/zinc/14/97/76/553149776.db2.gz ZTHBEHVEDDKJBZ-SUMWQHHRSA-N 1 0 389.297 2.880 20 0 GFADRO C[C@H](CNS(=O)(=O)N(C)Cc1c(F)cccc1Cl)[N@@H+]1CCC[C@H](C)C1 ZINC000255955783 553152717 /nfs/dbraw/zinc/15/27/17/553152717.db2.gz OWRXORFOLKFYON-UONOGXRCSA-N 1 0 391.940 2.866 20 0 GFADRO C[NH2+][C@@H](C)Cc1noc(-c2cc(S(=O)(=O)NC(C)(C)C)ccc2Cl)n1 ZINC000261620690 553154551 /nfs/dbraw/zinc/15/45/51/553154551.db2.gz BTEHWZTZCZORAK-JTQLQIEISA-N 1 0 386.905 2.617 20 0 GFADRO O=C(NC[C@@H]1CCCN(Cc2ccc(F)c(Br)c2)C1)[C@@H]1CCC[NH2+]1 ZINC000261636385 553154681 /nfs/dbraw/zinc/15/46/81/553154681.db2.gz HWNFNJQKQSMNBY-YOEHRIQHSA-N 1 0 398.320 2.668 20 0 GFADRO CCN(CC)S(=O)(=O)c1ccc(Cl)c(-c2nc(C[C@@H](C)[NH2+]C)no2)c1 ZINC000261644702 553154983 /nfs/dbraw/zinc/15/49/83/553154983.db2.gz DPBZPHCIXYCAPT-LLVKDONJSA-N 1 0 386.905 2.571 20 0 GFADRO CCN(CC)S(=O)(=O)c1ccc(Cl)c(-c2nc(C[C@H](C)[NH2+]C)no2)c1 ZINC000261644704 553155404 /nfs/dbraw/zinc/15/54/04/553155404.db2.gz DPBZPHCIXYCAPT-NSHDSACASA-N 1 0 386.905 2.571 20 0 GFADRO Cc1cc(Br)ccc1C[NH+]1CCC(c2nnc3n2CCNC3)CC1 ZINC000261674992 553155931 /nfs/dbraw/zinc/15/59/31/553155931.db2.gz HBQPAYPPGLMXMI-UHFFFAOYSA-N 1 0 390.329 2.832 20 0 GFADRO CCOC(=O)c1cc(NC(=O)[C@](C)([NH3+])c2ccc(Br)cc2)cn1C ZINC000261746872 553157766 /nfs/dbraw/zinc/15/77/66/553157766.db2.gz MHSSETKSTDQUIN-QGZVFWFLSA-N 1 0 394.269 2.777 20 0 GFADRO C[C@]([NH3+])(C(=O)NC[C@H]1CSCCS1)c1ccc(Br)cc1 ZINC000261752761 553158193 /nfs/dbraw/zinc/15/81/93/553158193.db2.gz MVERSUPRPBHEGH-GXTWGEPZSA-N 1 0 375.357 2.588 20 0 GFADRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1 ZINC000261876738 553161862 /nfs/dbraw/zinc/16/18/62/553161862.db2.gz SXNVPCXULCVRJY-KBPBESRZSA-N 1 0 384.929 2.622 20 0 GFADRO O=C(N[C@H]1CCN(c2ccc(Br)cc2)C1)[C@H]1CC12CC[NH2+]CC2 ZINC000261909920 553162395 /nfs/dbraw/zinc/16/23/95/553162395.db2.gz GQRULGZRGSFGPE-GOEBONIOSA-N 1 0 378.314 2.534 20 0 GFADRO Cc1ccc(O[C@@H](C)C(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)c(Br)c1 ZINC000261893060 553162437 /nfs/dbraw/zinc/16/24/37/553162437.db2.gz VKTUDDXQVRTKDS-SOUVJXGZSA-N 1 0 381.314 2.983 20 0 GFADRO Cc1cc(COc2ccc(C(=O)NC[C@@H]([NH3+])C3CC3)cc2Br)on1 ZINC000261925172 553162736 /nfs/dbraw/zinc/16/27/36/553162736.db2.gz JVKIOSFLGIJQDO-OAHLLOKOSA-N 1 0 394.269 2.792 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000261944369 553163406 /nfs/dbraw/zinc/16/34/06/553163406.db2.gz FIMNVPQZYDFIJI-TZMCWYRMSA-N 1 0 382.302 2.529 20 0 GFADRO O=C(c1csc(-c2ccc(Cl)cc2)n1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000262007277 553163957 /nfs/dbraw/zinc/16/39/57/553163957.db2.gz HAAFXZRHFQFPIT-OAHLLOKOSA-N 1 0 376.913 2.583 20 0 GFADRO [NH3+]C[C@H]1CCCC[C@@H]1NS(=O)(=O)c1cccc(Br)c1Cl ZINC000261986456 553163960 /nfs/dbraw/zinc/16/39/60/553163960.db2.gz DJPILJZRTURHFD-KOLCDFICSA-N 1 0 381.723 2.898 20 0 GFADRO C[NH2+]CCC1CCN(C(=O)[C@@H](C)NC(=O)c2cccc(Cl)c2Cl)CC1 ZINC000261995170 553163967 /nfs/dbraw/zinc/16/39/67/553163967.db2.gz FJZZZNSONQDZGD-GFCCVEGCSA-N 1 0 386.323 2.960 20 0 GFADRO [NH3+]CC1(C(=O)Nc2nc3ccc(OC(F)(F)F)cc3s2)CCOCC1 ZINC000261992636 553163982 /nfs/dbraw/zinc/16/39/82/553163982.db2.gz SZPGZSHPAPZGLO-UHFFFAOYSA-N 1 0 375.372 2.889 20 0 GFADRO CN(C(=O)C[C@H]1COCC[NH2+]1)[C@H]1CCSc2ccc(Br)cc21 ZINC000262034646 553164844 /nfs/dbraw/zinc/16/48/44/553164844.db2.gz AVLFEWZPZHTTMR-JSGCOSHPSA-N 1 0 385.327 2.823 20 0 GFADRO CN(CC(=O)N1CC[NH2+]C[C@H]1c1cccc(Cl)c1)C(=O)c1cccs1 ZINC000262062789 553165429 /nfs/dbraw/zinc/16/54/29/553165429.db2.gz RSUDVMBMOCZGFB-HNNXBMFYSA-N 1 0 377.897 2.647 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCCN(S(=O)(=O)c2cccc(Br)c2Cl)C1 ZINC000262105633 553166081 /nfs/dbraw/zinc/16/60/81/553166081.db2.gz UATABMDRRKFMNO-UWVGGRQHSA-N 1 0 381.723 2.850 20 0 GFADRO C[C@]1(C[NH3+])CCN(C(=O)[C@H](c2ccc(Cl)cc2Cl)N2CCOCC2)C1 ZINC000262122854 553166614 /nfs/dbraw/zinc/16/66/14/553166614.db2.gz WIAFVTDSEYXFBM-FUHWJXTLSA-N 1 0 386.323 2.564 20 0 GFADRO CCC[C@@](C)([NH3+])C(=O)N[C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000262174275 553166944 /nfs/dbraw/zinc/16/69/44/553166944.db2.gz XZJPYSLPDJCQKK-XHDPSFHLSA-N 1 0 378.826 2.966 20 0 GFADRO CCC[C@@](C)([NH3+])C(=O)N1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000262165783 553167102 /nfs/dbraw/zinc/16/71/02/553167102.db2.gz VXVSCZWYXVPRFY-SJKOYZFVSA-N 1 0 397.317 2.539 20 0 GFADRO CCc1ccc(-c2csc(NC(=O)C3(S(C)(=O)=O)CC[NH2+]CC3)n2)s1 ZINC000262256943 553168048 /nfs/dbraw/zinc/16/80/48/553168048.db2.gz TXNGLUIEUDUMOK-UHFFFAOYSA-N 1 0 399.563 2.539 20 0 GFADRO C[C@H](CNC(=O)c1csc(CC[NH3+])n1)Oc1cccc(Br)c1 ZINC000262324496 553169304 /nfs/dbraw/zinc/16/93/04/553169304.db2.gz DASSNWDXSYORAG-SNVBAGLBSA-N 1 0 384.299 2.604 20 0 GFADRO O=S(=O)(c1ccc(Br)cc1F)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000262319763 553169331 /nfs/dbraw/zinc/16/93/31/553169331.db2.gz QWCMHXRDXCBZKE-AWEZNQCLSA-N 1 0 391.306 2.741 20 0 GFADRO O=C(c1ccc(Oc2cccc(Br)c2)nc1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000262459223 553171307 /nfs/dbraw/zinc/17/13/07/553171307.db2.gz LZJSFFZQGQHBEX-OKILXGFUSA-N 1 0 388.265 2.928 20 0 GFADRO C[C@H](C[NH3+])C(=O)N[C@H](c1ccc(Cl)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000262527605 553172011 /nfs/dbraw/zinc/17/20/11/553172011.db2.gz LOLSHZROJBEMGY-SJKOYZFVSA-N 1 0 380.897 2.544 20 0 GFADRO CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)NCCc1ccc(Br)s1 ZINC000262551197 553172350 /nfs/dbraw/zinc/17/23/50/553172350.db2.gz SKRRMPXXIQZBQB-GHJWDPDVSA-N 1 0 387.343 2.702 20 0 GFADRO CCc1nc(C(=O)NCC[C@@H]2CC[NH2+]C2)nn1-c1c(Cl)cccc1Cl ZINC000262586274 553172973 /nfs/dbraw/zinc/17/29/73/553172973.db2.gz OSVXMUJQJIYXOI-NSHDSACASA-N 1 0 382.295 2.866 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CCCN(S(=O)(=O)c2cccc(Cl)c2Br)C1 ZINC000262754092 553175181 /nfs/dbraw/zinc/17/51/81/553175181.db2.gz HJDMFZFLVUXQNJ-NXEZZACHSA-N 1 0 381.723 2.850 20 0 GFADRO CC1(CNS(=O)(=O)c2ccc(Cl)cc2Br)CC[NH2+]CC1 ZINC000262761317 553175333 /nfs/dbraw/zinc/17/53/33/553175333.db2.gz JLHBSBQXVKNODS-UHFFFAOYSA-N 1 0 381.723 2.771 20 0 GFADRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)CCOc1ccc(Cl)cc1Br ZINC000262775936 553175785 /nfs/dbraw/zinc/17/57/85/553175785.db2.gz LSSWTCUSWMXTNR-MFKMUULPSA-N 1 0 375.694 2.986 20 0 GFADRO Cc1c(C(=O)N[C@H]2CC[NH2+][C@@H](C)C2)cnn1-c1ccc(Br)cc1 ZINC000262827916 553176857 /nfs/dbraw/zinc/17/68/57/553176857.db2.gz HMDYKOHDLNILLV-FZMZJTMJSA-N 1 0 377.286 2.814 20 0 GFADRO CO[C@H](C[NH3+])CC(=O)Nc1cc(-c2cc(Br)ccc2Cl)[nH]n1 ZINC000262868019 553177428 /nfs/dbraw/zinc/17/74/28/553177428.db2.gz MALCSZPMQNPKRF-VIFPVBQESA-N 1 0 387.665 2.795 20 0 GFADRO CCC[C@H](C)[C@@H](CO)[NH2+][C@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000565089897 564265526 /nfs/dbraw/zinc/26/55/26/564265526.db2.gz UZKOADYVPRHQGR-MISXGVKJSA-N 1 0 393.347 2.544 20 0 GFADRO Cc1cc(F)c(Br)cc1S(=O)(=O)N1CCCC[C@@H]1CC[NH3+] ZINC000565363808 564277521 /nfs/dbraw/zinc/27/75/21/564277521.db2.gz ULSHESQQSYSPNI-LLVKDONJSA-N 1 0 379.295 2.789 20 0 GFADRO CC(C)[N@@H+](Cc1ccc(Br)cc1)C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000513896681 564442241 /nfs/dbraw/zinc/44/22/41/564442241.db2.gz CORDWBMORDLURR-OAHLLOKOSA-N 1 0 389.359 2.941 20 0 GFADRO C[C@H](C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1)c1ccc(Br)s1 ZINC000370540503 563247876 /nfs/dbraw/zinc/24/78/76/563247876.db2.gz SRFBQVOSBCTTDF-AAEUAGOBSA-N 1 0 387.343 2.984 20 0 GFADRO CN(CCC[NH+]1CCN(C)CC1)Cc1c(F)ccc(Br)c1F ZINC000281257137 563371081 /nfs/dbraw/zinc/37/10/81/563371081.db2.gz KBTCYJBGOJKRSO-UHFFFAOYSA-N 1 0 376.289 2.797 20 0 GFADRO C[C@@H](CNS(=O)(=O)c1c(Cl)cccc1Br)[N@H+](C)C1CC1 ZINC000312835005 563436557 /nfs/dbraw/zinc/43/65/57/563436557.db2.gz KAOOJJSAQOBWHN-VIFPVBQESA-N 1 0 381.723 2.864 20 0 GFADRO O=C1C[C@@]2(CC[N@@H+](Cc3coc(-c4ccc(Br)cc4)n3)C2)CN1 ZINC000369378938 563213143 /nfs/dbraw/zinc/21/31/43/563213143.db2.gz JEXUQDIVSIQZCI-KRWDZBQOSA-N 1 0 376.254 2.816 20 0 GFADRO C[C@@H]1CN(C(=O)NCCc2c[nH]c3cccc(Br)c23)[C@@H](C)C[NH2+]1 ZINC000418193640 563213464 /nfs/dbraw/zinc/21/34/64/563213464.db2.gz CKNOANJVTRKEDP-NEPJUHHUSA-N 1 0 379.302 2.865 20 0 GFADRO O=C(NCCc1c[nH]c2cccc(Br)c12)NCC[C@H]1CC[NH2+]C1 ZINC000418205033 563213477 /nfs/dbraw/zinc/21/34/77/563213477.db2.gz YNKNCDZOJIEZSH-GFCCVEGCSA-N 1 0 379.302 2.772 20 0 GFADRO CO[C@H]1CCN(C(=O)N[C@H](C)c2ccc(Br)cc2F)[C@@H](C[NH3+])C1 ZINC000418209604 563213552 /nfs/dbraw/zinc/21/35/52/563213552.db2.gz FDOCFEGVEVKXDD-RTXFEEFZSA-N 1 0 388.281 2.797 20 0 GFADRO O=C(N[C@H]1CC[NH2+]C1)N[C@@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC000418219373 563214106 /nfs/dbraw/zinc/21/41/06/563214106.db2.gz NFVAFAKHPBOIDZ-XHDPSFHLSA-N 1 0 377.286 2.969 20 0 GFADRO [NH3+]CC[C@@H](NC(=O)N[C@H]1CCc2c1ccc(F)c2Br)C(F)F ZINC000418244311 563214624 /nfs/dbraw/zinc/21/46/24/563214624.db2.gz CQNHSVZJTDGLKD-WDEREUQCSA-N 1 0 380.208 2.857 20 0 GFADRO O=C(N[C@@H]1CCc2c1ccc(F)c2Br)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000418246260 563215006 /nfs/dbraw/zinc/21/50/06/563215006.db2.gz FSPIQBJRNHTTIW-PBHICJAKSA-N 1 0 382.277 2.971 20 0 GFADRO COCc1nc2n(n1)C[C@H]([NH2+][C@@H]1CCc3sc(Br)cc31)CC2 ZINC000294744433 563215318 /nfs/dbraw/zinc/21/53/18/563215318.db2.gz LNIZSYCPVKDALZ-MWLCHTKSSA-N 1 0 383.315 2.840 20 0 GFADRO C[C@@H]1c2cc(Cl)cc(Cl)c2CCN1C(=O)NCCCN1CC[NH2+]CC1 ZINC000418293491 563215348 /nfs/dbraw/zinc/21/53/48/563215348.db2.gz DRCHWIWAMWFFKM-CYBMUJFWSA-N 1 0 385.339 2.917 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]CCc1ccccn1 ZINC000294747273 563215641 /nfs/dbraw/zinc/21/56/41/563215641.db2.gz KJUYATPKYUNFKP-ZDUSSCGKSA-N 1 0 392.297 2.690 20 0 GFADRO C[NH2+]C[C@H](C)CNC(=O)N1CCC[C@H](Nc2cccc(Br)c2)C1 ZINC000418380902 563216636 /nfs/dbraw/zinc/21/66/36/563216636.db2.gz HVALAMXODMPYDT-BBRMVZONSA-N 1 0 383.334 2.891 20 0 GFADRO O=C(NC[C@H]1CCC[NH2+]1)N1CCC[C@H]1c1ccccc1I ZINC000418368179 563216658 /nfs/dbraw/zinc/21/66/58/563216658.db2.gz MGDGLXNOGJOYHN-DOMZBBRYSA-N 1 0 399.276 2.890 20 0 GFADRO COCCN(Cc1cc(Br)cs1)C(=O)NC[C@H]([NH3+])C(C)C ZINC000418414136 563217200 /nfs/dbraw/zinc/21/72/00/563217200.db2.gz SOGQKOSMTKGENB-ZDUSSCGKSA-N 1 0 378.336 2.652 20 0 GFADRO CC(=O)NCCN(Cc1ccc(Cl)cc1Cl)C(=O)NC[C@@H]([NH3+])C(C)C ZINC000418404680 563217250 /nfs/dbraw/zinc/21/72/50/563217250.db2.gz KLFDEWOSULTYKH-MRXNPFEDSA-N 1 0 389.327 2.624 20 0 GFADRO C[C@@H]1[C@H](c2ccc(Br)cc2)OCCN1C(=O)N[C@H](C[NH3+])C1CC1 ZINC000418468486 563217737 /nfs/dbraw/zinc/21/77/37/563217737.db2.gz OWRBCHKMUMLZSK-HFBAOOFYSA-N 1 0 382.302 2.658 20 0 GFADRO C[C@@H]1[C@H](c2ccc(Br)cc2)OCCN1C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000418468489 563217824 /nfs/dbraw/zinc/21/78/24/563217824.db2.gz OWRBCHKMUMLZSK-XFBWCDHKSA-N 1 0 382.302 2.658 20 0 GFADRO CCC([NH3+])(CC)CNC(=O)NC[C@H](O)COc1cccc(Cl)c1Cl ZINC000418445808 563218034 /nfs/dbraw/zinc/21/80/34/563218034.db2.gz YIDDTVOLLWLCLP-NSHDSACASA-N 1 0 378.300 2.550 20 0 GFADRO [NH3+]C1(CNC(=O)N2CCC[C@@H](Nc3cccc(Br)c3)C2)CCC1 ZINC000418527982 563219588 /nfs/dbraw/zinc/21/95/88/563219588.db2.gz QQKMDJBNNILMKB-OAHLLOKOSA-N 1 0 381.318 2.916 20 0 GFADRO COCCN(Cc1sccc1Br)C(=O)N[C@@H]1CCC[NH2+][C@@H]1C ZINC000418573970 563220203 /nfs/dbraw/zinc/22/02/03/563220203.db2.gz RHLYLEJYJNXTNB-DGCLKSJQSA-N 1 0 390.347 2.809 20 0 GFADRO OC1CCN(CC[NH2+]Cc2ccc(OC(F)(F)F)c(Br)c2)CC1 ZINC000294902113 563220733 /nfs/dbraw/zinc/22/07/33/563220733.db2.gz RRHGZJVHFJOABX-UHFFFAOYSA-N 1 0 397.235 2.894 20 0 GFADRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000418582884 563220739 /nfs/dbraw/zinc/22/07/39/563220739.db2.gz AMMNVLCCIZMYAY-UHOFOFEASA-N 1 0 382.302 2.530 20 0 GFADRO C[C@H]1C[C@H](NC(=O)NC(C)(C)COc2ncc(Cl)cc2Cl)CC[NH2+]1 ZINC000418591630 563220764 /nfs/dbraw/zinc/22/07/64/563220764.db2.gz CQBHPPJYCZEDKV-CMPLNLGQSA-N 1 0 375.300 2.986 20 0 GFADRO CCN(CCOc1ccc(Br)cc1)C(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000418604127 563221613 /nfs/dbraw/zinc/22/16/13/563221613.db2.gz XENFNTKZHVNGOI-XJKSGUPXSA-N 1 0 384.318 2.857 20 0 GFADRO C[C@H]1C[C@H](NC(=O)c2nn(C)cc2Br)CC[N@@H+]1Cc1ccccc1 ZINC000294914196 563221559 /nfs/dbraw/zinc/22/15/59/563221559.db2.gz KAUUKWDPTUIJIE-DZGCQCFKSA-N 1 0 391.313 2.966 20 0 GFADRO COC[C@@]1(CNC(=O)NC(C)(C)c2ccccc2Br)CCC[NH2+]1 ZINC000418654646 563221952 /nfs/dbraw/zinc/22/19/52/563221952.db2.gz MJBHSKDRQBQAIS-KRWDZBQOSA-N 1 0 384.318 2.752 20 0 GFADRO CCN(Cc1ccccc1Br)C(=O)NC[C@@]1(COC)CCC[NH2+]1 ZINC000418660082 563221996 /nfs/dbraw/zinc/22/19/96/563221996.db2.gz XAPUJCOMGHERTK-QGZVFWFLSA-N 1 0 384.318 2.749 20 0 GFADRO CN(C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21)[C@@H]1CCSc2ccc(Br)cc21 ZINC000418678105 563222311 /nfs/dbraw/zinc/22/23/11/563222311.db2.gz VXFCWYDYIRMGLL-COMQUAJESA-N 1 0 382.327 2.845 20 0 GFADRO O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC000294934479 563222485 /nfs/dbraw/zinc/22/24/85/563222485.db2.gz LCTLHXAVKHNUFH-SJCJKPOMSA-N 1 0 387.307 2.644 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]Cc1ccc(O)cc1 ZINC000294940970 563223231 /nfs/dbraw/zinc/22/32/31/563223231.db2.gz DSVSVNVFTQAWSZ-LBPRGKRZSA-N 1 0 393.281 2.958 20 0 GFADRO Cc1sc(Br)nc1C(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000277727610 563223380 /nfs/dbraw/zinc/22/33/80/563223380.db2.gz PXKFBHPLURJVFX-UHFFFAOYSA-N 1 0 390.347 2.787 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)Cc1cccc(Br)c1 ZINC000369770136 563223952 /nfs/dbraw/zinc/22/39/52/563223952.db2.gz CCBXQKXUJDCYTH-ZACQAIPSSA-N 1 0 381.314 2.702 20 0 GFADRO [NH3+]C1(CNC(=O)C(=O)N[C@@H](c2cccs2)c2ccc(Cl)cc2)CCC1 ZINC000418758476 563224158 /nfs/dbraw/zinc/22/41/58/563224158.db2.gz GTORIJPXWSEAOQ-OAHLLOKOSA-N 1 0 377.897 2.605 20 0 GFADRO O=C(N[C@@H](CCO)c1ccccc1Br)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000418807084 563225695 /nfs/dbraw/zinc/22/56/95/563225695.db2.gz YYAVBEGAYFTCLK-WBOJAVRRSA-N 1 0 396.329 2.560 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000418821202 563226471 /nfs/dbraw/zinc/22/64/71/563226471.db2.gz UUHLBNATBDEREL-UCDYDWOKSA-N 1 0 384.307 2.694 20 0 GFADRO CN(C(=O)C(=O)N[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1)[C@H]1CCC[NH2+]CC1 ZINC000418818459 563226749 /nfs/dbraw/zinc/22/67/49/563226749.db2.gz ORBLBDGMJDMENQ-HEHGZKQESA-N 1 0 384.307 2.566 20 0 GFADRO O=C(CC[N@H+]1CCC[C@@H]([C@@H](O)C(F)(F)F)C1)N1CCc2sccc2C1 ZINC000277791333 563226867 /nfs/dbraw/zinc/22/68/67/563226867.db2.gz OQTAETLOMDJBBT-CZUORRHYSA-N 1 0 376.444 2.658 20 0 GFADRO C[C@@H](NC(=O)C(=O)N[C@@H]1CC[NH2+][C@H](C)C1)c1cc(F)c(Cl)cc1Cl ZINC000418848509 563227068 /nfs/dbraw/zinc/22/70/68/563227068.db2.gz LMGDVVURZUQLEQ-OPRDCNLKSA-N 1 0 376.259 2.566 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N[C@@H](C)c2cc(F)c(Cl)cc2Cl)C1 ZINC000418847958 563227515 /nfs/dbraw/zinc/22/75/15/563227515.db2.gz KJLLYQCZORKFPX-GUBZILKMSA-N 1 0 376.259 2.505 20 0 GFADRO C[NH2+]CCN(C)C(=O)C(=O)NC[C@H](Cc1ccc(Cl)cc1Cl)C(C)C ZINC000418857659 563228620 /nfs/dbraw/zinc/22/86/20/563228620.db2.gz SQFINPWSLXSZPE-AWEZNQCLSA-N 1 0 388.339 2.602 20 0 GFADRO O=C(N[C@H]1CCC[NH2+]CC1)[C@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 ZINC000369947072 563228728 /nfs/dbraw/zinc/22/87/28/563228728.db2.gz VOHPTVMCXDEHSA-JKSUJKDBSA-N 1 0 384.307 2.856 20 0 GFADRO C[C@H](NC(=O)C(=O)NCC[C@H]1CCC[NH2+]C1)c1cc(F)c(Cl)cc1Cl ZINC000418864498 563229005 /nfs/dbraw/zinc/22/90/05/563229005.db2.gz QUQUGHNDVZZGAT-WDEREUQCSA-N 1 0 390.286 2.816 20 0 GFADRO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)C(=O)N[C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000418898545 563230338 /nfs/dbraw/zinc/23/03/38/563230338.db2.gz ZSOOVXQIGSJSOL-WFGGJUAMSA-N 1 0 384.307 2.599 20 0 GFADRO CC[C@@H](NC(=O)C(=O)NCc1ccc2c(c1)C[NH2+]C2)c1ccc(Cl)s1 ZINC000419038152 563232524 /nfs/dbraw/zinc/23/25/24/563232524.db2.gz IYBFIOMPUBYIRK-CQSZACIVSA-N 1 0 377.897 2.888 20 0 GFADRO COc1ccc(C[NH2+]C[C@H](O)Cc2cccc(F)c2)c(Br)c1O ZINC000295172049 563233180 /nfs/dbraw/zinc/23/31/80/563233180.db2.gz UJVAQZPDDHSRDQ-CQSZACIVSA-N 1 0 384.245 2.996 20 0 GFADRO COc1ccc(NC(=O)NC[C@@H]2CCC[N@@H+]2C)c(I)c1 ZINC000277951404 563233582 /nfs/dbraw/zinc/23/35/82/563233582.db2.gz GPPIFHDISLPTDU-JTQLQIEISA-N 1 0 389.237 2.516 20 0 GFADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)CCc3ccc(Br)cc3)CC2)C1 ZINC000370111936 563234248 /nfs/dbraw/zinc/23/42/48/563234248.db2.gz NBWQXEFFCUTWKZ-SFHVURJKSA-N 1 0 394.357 2.620 20 0 GFADRO CCC[C@H](NC(=O)C(=O)NCC1=CC[NH2+]CC1)c1ccc(Cl)c(Cl)c1 ZINC000419313389 563236288 /nfs/dbraw/zinc/23/62/88/563236288.db2.gz ZVXZJFBOEQOFEL-INIZCTEOSA-N 1 0 384.307 2.987 20 0 GFADRO C[NH+](C)CCN(Cc1cccs1)C(=O)Cc1cc[nH]c(=O)c1Br ZINC000278022572 563236825 /nfs/dbraw/zinc/23/68/25/563236825.db2.gz QDPQPPRQMSARHD-UHFFFAOYSA-N 1 0 398.326 2.744 20 0 GFADRO COc1ccc(CNCCC[N@@H+]2CCCO[C@H](C)C2)c(Br)c1O ZINC000278046423 563238238 /nfs/dbraw/zinc/23/82/38/563238238.db2.gz XUSXYESGYGUHAD-CYBMUJFWSA-N 1 0 387.318 2.754 20 0 GFADRO C[NH+]1CCN(CCCNC(=O)c2cc(Cl)cc(Br)c2F)CC1 ZINC000278061984 563239003 /nfs/dbraw/zinc/23/90/03/563239003.db2.gz SHTQZLNCVVUUEP-UHFFFAOYSA-N 1 0 392.700 2.609 20 0 GFADRO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)N[C@H]1COc2c1ccc(Cl)c2Cl ZINC000419461731 563240487 /nfs/dbraw/zinc/24/04/87/563240487.db2.gz IBXJOMMEDJRIGW-GYSYKLTISA-N 1 0 388.295 2.523 20 0 GFADRO C[C@@H]([NH3+])C1CCN(C(=O)C(=O)NC[C@@H](C)c2c(Cl)cccc2Cl)CC1 ZINC000419521734 563240877 /nfs/dbraw/zinc/24/08/77/563240877.db2.gz SCNYWMXDXPEKBO-VXGBXAGGSA-N 1 0 386.323 2.799 20 0 GFADRO C[C@@H](CNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2)c1c(Cl)cccc1Cl ZINC000419521472 563241340 /nfs/dbraw/zinc/24/13/40/563241340.db2.gz RRPFKTXHAGAWGA-XQQFMLRXSA-N 1 0 384.307 2.566 20 0 GFADRO CC1(C)OCC[C@@H]1[NH2+]Cc1nnnn1-c1ccc(Cl)cc1C(F)(F)F ZINC000295312648 563241572 /nfs/dbraw/zinc/24/15/72/563241572.db2.gz VUHVDBKHMQIKQI-LBPRGKRZSA-N 1 0 375.782 2.992 20 0 GFADRO C[C@H](Cc1c(Cl)cccc1Cl)NC(=O)C(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000419601255 563243058 /nfs/dbraw/zinc/24/30/58/563243058.db2.gz WOLCQHXIHURYJU-JHJVBQTASA-N 1 0 386.323 2.545 20 0 GFADRO C[C@H](Sc1nc2ccccc2s1)C(=O)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000295361699 563243988 /nfs/dbraw/zinc/24/39/88/563243988.db2.gz FSROLFWATZTGKO-UONOGXRCSA-N 1 0 379.551 2.740 20 0 GFADRO O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)C1(c2ccccc2Br)CC1 ZINC000370477289 563245003 /nfs/dbraw/zinc/24/50/03/563245003.db2.gz RFXOBEFXALWHBN-HNNXBMFYSA-N 1 0 393.325 2.850 20 0 GFADRO COc1ccc(S(=O)(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c(Cl)c1Cl ZINC000295423318 563246776 /nfs/dbraw/zinc/24/67/76/563246776.db2.gz VGNZAXINSPWUAB-FGWVZKOKSA-N 1 0 379.309 2.906 20 0 GFADRO Cc1c2cc(Cl)ccc2sc1CNC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000419698895 563246992 /nfs/dbraw/zinc/24/69/92/563246992.db2.gz ASRYOCYOUQYGDK-IINYFYTJSA-N 1 0 379.913 2.594 20 0 GFADRO Cc1c(CNC(=O)C(=O)N2CC[C@@H]([NH3+])[C@@H](C)C2)sc2ccc(Cl)cc12 ZINC000419718678 563247985 /nfs/dbraw/zinc/24/79/85/563247985.db2.gz WGNKMJFPLNVZKE-IINYFYTJSA-N 1 0 379.913 2.675 20 0 GFADRO O=C(N[C@@H]1CCC[N@@H+](CCCO)C1)c1c[nH]c2cccc(Br)c12 ZINC000295482999 563249565 /nfs/dbraw/zinc/24/95/65/563249565.db2.gz OEYSQTOHZCXYKO-GFCCVEGCSA-N 1 0 380.286 2.507 20 0 GFADRO CS(=O)(=O)N1CC[C@H](C[N@@H+]2CCC[C@H]2c2cccc(Br)c2)C1 ZINC000370585044 563249672 /nfs/dbraw/zinc/24/96/72/563249672.db2.gz TXIMZIYDKHRRHJ-CJNGLKHVSA-N 1 0 387.343 2.868 20 0 GFADRO Cn1cc([C@H]2[C@H](C[NH2+]Cc3cc(Br)cs3)CC(=O)N2C)cn1 ZINC000370636979 563250694 /nfs/dbraw/zinc/25/06/94/563250694.db2.gz VQAKMEWDSXQOOS-ZUZCIYMTSA-N 1 0 383.315 2.553 20 0 GFADRO CCC[C@H](O)[C@@H](CO)[NH2+]Cc1c(C)nn(-c2ccc(Br)cc2)c1C ZINC000419832200 563251661 /nfs/dbraw/zinc/25/16/61/563251661.db2.gz VJTMSYXJLCWIEL-MSOLQXFVSA-N 1 0 396.329 2.863 20 0 GFADRO O=C(N[C@@H]1CCC[N@@H+](CCCO)C1)c1cc(Cl)ccc1Br ZINC000295561308 563253686 /nfs/dbraw/zinc/25/36/86/563253686.db2.gz UIFKBYOQFFGJSV-GFCCVEGCSA-N 1 0 375.694 2.679 20 0 GFADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NCc1cccc(Br)c1 ZINC000278417907 563254290 /nfs/dbraw/zinc/25/42/90/563254290.db2.gz IDFANIDIDCHDAW-AWEZNQCLSA-N 1 0 396.329 2.844 20 0 GFADRO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N(Cc1ccc(Cl)c(Cl)c1)C1CC1 ZINC000419967795 563254665 /nfs/dbraw/zinc/25/46/65/563254665.db2.gz CBCUVVQZMRCDBZ-CYBMUJFWSA-N 1 0 386.323 2.974 20 0 GFADRO O=C(CCc1ccccc1Br)NC[C@H]1CCC[C@@H]1[NH+]1CCOCC1 ZINC000370772319 563254765 /nfs/dbraw/zinc/25/47/65/563254765.db2.gz KALSYKICRNWNBA-AEFFLSMTSA-N 1 0 395.341 2.999 20 0 GFADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)Nc1nc(C(F)(F)F)cs1 ZINC000278425764 563255205 /nfs/dbraw/zinc/25/52/05/563255205.db2.gz YFHJGQNABSQRFQ-SNVBAGLBSA-N 1 0 378.420 2.879 20 0 GFADRO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N(Cc1cccc(Br)c1)C(C)C ZINC000419980896 563255392 /nfs/dbraw/zinc/25/53/92/563255392.db2.gz SKEQDACGBDEBHN-INIZCTEOSA-N 1 0 398.345 2.676 20 0 GFADRO NC(=O)c1cccnc1N1CCC[N@H+](Cc2ccccc2Br)CC1 ZINC000370794641 563255408 /nfs/dbraw/zinc/25/54/08/563255408.db2.gz CXBBBOPKWAJIBO-UHFFFAOYSA-N 1 0 389.297 2.655 20 0 GFADRO CC[C@H](Cc1ccccc1Br)C(=O)NC[C@@](C)(O)CC[NH+](C)C ZINC000420015842 563256467 /nfs/dbraw/zinc/25/64/67/563256467.db2.gz MHRBTUQVWXOXPP-KDOFPFPSSA-N 1 0 385.346 2.837 20 0 GFADRO COC[C@@H](C)OC[C@@H](O)C[N@H+](Cc1csc(Br)c1)C1CC1 ZINC000278460000 563257308 /nfs/dbraw/zinc/25/73/08/563257308.db2.gz YTQQORRUJDVJBM-RISCZKNCSA-N 1 0 378.332 2.887 20 0 GFADRO C[NH+](C)CC[C@](C)(O)CNC(=O)c1ccccc1SCc1cscn1 ZINC000420044085 563257512 /nfs/dbraw/zinc/25/75/12/563257512.db2.gz PFCCTYNLELKZQR-SFHVURJKSA-N 1 0 379.551 2.868 20 0 GFADRO C[C@H]1CN(C(=O)c2c[nH]c3ncc(Br)cc23)CC[N@@H+](C2CC2)C1 ZINC000295713720 563259369 /nfs/dbraw/zinc/25/93/69/563259369.db2.gz PQPHYBVEGWCFSY-LLVKDONJSA-N 1 0 377.286 2.882 20 0 GFADRO COCc1nc2n(n1)C[C@H]([NH2+][C@@H]1CCc3c1ccc(F)c3Br)CC2 ZINC000295714776 563259465 /nfs/dbraw/zinc/25/94/65/563259465.db2.gz NCVQIWLUUQWQFZ-QMTHXVAHSA-N 1 0 395.276 2.918 20 0 GFADRO Cc1ncc(C[N@@H+]2CC[C@@H](NC(=O)CSc3ccncc3)[C@H](C)C2)s1 ZINC000370947716 563260814 /nfs/dbraw/zinc/26/08/14/563260814.db2.gz NSLIYJACTNVEER-CXAGYDPISA-N 1 0 376.551 2.965 20 0 GFADRO CN(Cc1cc(Br)cs1)C(=O)CN1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420371218 563262685 /nfs/dbraw/zinc/26/26/85/563262685.db2.gz LPLBYGVVJHGBNX-INIZCTEOSA-N 1 0 386.359 2.545 20 0 GFADRO C[C@@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)N1CCCO[C@H](C[NH3+])C1 ZINC000420386686 563263002 /nfs/dbraw/zinc/26/30/02/563263002.db2.gz JIMCMXMCSPWAIS-CMPLNLGQSA-N 1 0 379.810 2.735 20 0 GFADRO Cc1ccc(Br)c(S(=O)(=O)N2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c1 ZINC000420450928 563263759 /nfs/dbraw/zinc/26/37/59/563263759.db2.gz BCBLUVSYFCKJDL-DZGCQCFKSA-N 1 0 387.343 2.910 20 0 GFADRO CCCOc1c(Br)cc(C[NH2+]C[C@@]2(O)CCO[C@@H]2C)cc1OC ZINC000278632588 563263981 /nfs/dbraw/zinc/26/39/81/563263981.db2.gz KTGFCGGOYCTOHY-PXAZEXFGSA-N 1 0 388.302 2.876 20 0 GFADRO CC(C)(C)c1nc2ccc(S(=O)(=O)N[C@@H](CC[NH3+])C(F)F)cc2s1 ZINC000420471696 563265002 /nfs/dbraw/zinc/26/50/02/563265002.db2.gz YQYJEVVCKPDTFH-NSHDSACASA-N 1 0 377.482 2.855 20 0 GFADRO Cc1cccc(S(=O)(=O)N2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c1Br ZINC000420471653 563265241 /nfs/dbraw/zinc/26/52/41/563265241.db2.gz YINRAAAIBMBRAR-KGLIPLIRSA-N 1 0 387.343 2.910 20 0 GFADRO C[N@H+](CCOCC(F)(F)F)[C@@H]1CCCN(CCOCC(F)(F)F)CC1 ZINC000371096584 563265285 /nfs/dbraw/zinc/26/52/85/563265285.db2.gz AOVDQFKXRCCUMJ-CYBMUJFWSA-N 1 0 380.373 2.931 20 0 GFADRO C[NH2+]CCCN(C)S(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCCCO1 ZINC000420469271 563265332 /nfs/dbraw/zinc/26/53/32/563265332.db2.gz IWHNCMCPHJEZAD-HNNXBMFYSA-N 1 0 390.933 2.518 20 0 GFADRO Cc1cc(F)c(Br)cc1S(=O)(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420483799 563266009 /nfs/dbraw/zinc/26/60/09/563266009.db2.gz WVHZAHZYROXCQY-MWLCHTKSSA-N 1 0 379.295 2.502 20 0 GFADRO OC1CCN(CC[NH2+][C@@H](c2cccc(Br)c2)C2CCOCC2)CC1 ZINC000295946224 563268841 /nfs/dbraw/zinc/26/88/41/563268841.db2.gz LTDNYYGTGUSRBW-LJQANCHMSA-N 1 0 397.357 2.963 20 0 GFADRO CCS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000371244257 563269714 /nfs/dbraw/zinc/26/97/14/563269714.db2.gz MYZGIPRRMVOTMZ-GUYCJALGSA-N 1 0 384.929 2.738 20 0 GFADRO Cn1ncc(Br)c1C[NH2+]CCCOCCOCc1ccccc1 ZINC000278877726 563275433 /nfs/dbraw/zinc/27/54/33/563275433.db2.gz ZEKGLKMALDRSRX-UHFFFAOYSA-N 1 0 382.302 2.896 20 0 GFADRO COCCSCCC[NH+]1CCN(CC(=O)Nc2ccc(Cl)cc2)CC1 ZINC000278930902 563277020 /nfs/dbraw/zinc/27/70/20/563277020.db2.gz WEPGBTUUUNTQKQ-UHFFFAOYSA-N 1 0 385.961 2.666 20 0 GFADRO C[C@H]1CC[C@@H](C(N)=O)CN1C(=O)C1CC[NH+](Cc2ccc(Cl)s2)CC1 ZINC000371458111 563278523 /nfs/dbraw/zinc/27/85/23/563278523.db2.gz ZCWLBQIJCQGIQE-GXTWGEPZSA-N 1 0 383.945 2.726 20 0 GFADRO CCN(C)C(=O)C[NH+]1CCC(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000371488218 563279052 /nfs/dbraw/zinc/27/90/52/563279052.db2.gz OFJUMPCLZIICJK-UHFFFAOYSA-N 1 0 382.302 2.578 20 0 GFADRO Cc1ncsc1CCS(=O)(=O)N[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000296223971 563279773 /nfs/dbraw/zinc/27/97/73/563279773.db2.gz KGSYOYXDCWFCRH-WMLDXEAASA-N 1 0 379.551 2.576 20 0 GFADRO C[NH+](C)C[C@@H]1CCN(C(=O)N[C@H]2CCN(c3cccc(Br)c3)C2)C1 ZINC000279065735 563282649 /nfs/dbraw/zinc/28/26/49/563282649.db2.gz QLODWXCAYPSKLL-HOCLYGCPSA-N 1 0 395.345 2.621 20 0 GFADRO CC(C)(C)c1cnc(C[NH2+]CCOc2ccc(NS(C)(=O)=O)cc2)s1 ZINC000279233892 563288332 /nfs/dbraw/zinc/28/83/32/563288332.db2.gz YYQIGOFDUMHHDF-UHFFFAOYSA-N 1 0 383.539 2.981 20 0 GFADRO Cc1ccc(F)c(C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)c1Br ZINC000279253545 563289352 /nfs/dbraw/zinc/28/93/52/563289352.db2.gz UTCFCIBUKHKHOC-CYBMUJFWSA-N 1 0 385.277 2.691 20 0 GFADRO CCn1nc(C)c(C[NH2+]C[C@@H]2CCN(c3ccc(Br)cc3)C2)n1 ZINC000296555249 563292002 /nfs/dbraw/zinc/29/20/02/563292002.db2.gz UVVLXJHESPZTIT-AWEZNQCLSA-N 1 0 378.318 2.985 20 0 GFADRO CN(CC(=O)Nc1c(F)cc(F)cc1Br)C[C@@H]1CCC[N@@H+]1C ZINC000421017123 563293371 /nfs/dbraw/zinc/29/33/71/563293371.db2.gz ZDFQIHPDLFMWNT-NSHDSACASA-N 1 0 376.245 2.692 20 0 GFADRO COC1([C@H](C)[NH2+]C[C@@H](O)COc2cc(Cl)ccc2Cl)CCOCC1 ZINC000421027206 563293442 /nfs/dbraw/zinc/29/34/42/563293442.db2.gz GIXGIYMFBPLINO-GXTWGEPZSA-N 1 0 378.296 2.907 20 0 GFADRO O[C@@H](CN1CCOCC1)C[N@@H+]1CCCC[C@H]1Cc1cccc(Br)c1 ZINC000421032137 563294016 /nfs/dbraw/zinc/29/40/16/563294016.db2.gz DOSXNYCRMAGLTF-OALUTQOASA-N 1 0 397.357 2.539 20 0 GFADRO [NH3+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)c1csc(I)c1 ZINC000372099489 563295852 /nfs/dbraw/zinc/29/58/52/563295852.db2.gz VJKPJXWCTYGCRG-FGWVZKOKSA-N 1 0 376.263 2.837 20 0 GFADRO CN(CC[N@H+](C)C1CC1)C(=O)C1CCN(C(=O)c2ccc(Cl)s2)CC1 ZINC000372140388 563296896 /nfs/dbraw/zinc/29/68/96/563296896.db2.gz NQHFVZIMRCTZTB-UHFFFAOYSA-N 1 0 383.945 2.806 20 0 GFADRO COCCOc1ccc(C(=O)N2CCN([C@@H]3CCSC3)CC2)c(Cl)c1 ZINC000372152602 563297196 /nfs/dbraw/zinc/29/71/96/563297196.db2.gz KKLGAHXTMWPYSQ-CQSZACIVSA-N 1 0 384.929 2.629 20 0 GFADRO C[C@@H](NC(=O)NCCCC[NH+]1CCOCC1)c1nc(C(F)(F)F)cs1 ZINC000279473824 563297660 /nfs/dbraw/zinc/29/76/60/563297660.db2.gz KDKOZFCVVCHTOQ-LLVKDONJSA-N 1 0 380.436 2.635 20 0 GFADRO O=C(Cc1csc(-c2ccccc2Cl)n1)NCC[NH+]1CCC(O)CC1 ZINC000296818755 563302860 /nfs/dbraw/zinc/30/28/60/563302860.db2.gz FVCAZNQQIQMIGR-UHFFFAOYSA-N 1 0 379.913 2.579 20 0 GFADRO C[NH+](C)CCC1CCN(S(=O)(=O)c2ccc(OC(F)F)c(F)c2)CC1 ZINC000279673421 563305483 /nfs/dbraw/zinc/30/54/83/563305483.db2.gz DQNPWDFVGNBUTP-UHFFFAOYSA-N 1 0 380.432 2.780 20 0 GFADRO CC(C)OCC[NH+]1CCC(NC(=O)Nc2ccnc(Br)c2)CC1 ZINC000296857673 563305713 /nfs/dbraw/zinc/30/57/13/563305713.db2.gz KTMBGCXAXHLTCS-UHFFFAOYSA-N 1 0 385.306 2.855 20 0 GFADRO C[NH+](C)[C@@H]1CCCN(C(=O)c2ccc(I)cc2F)CC1 ZINC000296911810 563307532 /nfs/dbraw/zinc/30/75/32/563307532.db2.gz WGRKELHSFPTELL-GFCCVEGCSA-N 1 0 390.240 2.987 20 0 GFADRO NC(=O)CC1(C[NH2+]Cc2cc(Br)cc(Br)c2N)CC1 ZINC000421353803 563308535 /nfs/dbraw/zinc/30/85/35/563308535.db2.gz URQRCNOZXANJLN-UHFFFAOYSA-N 1 0 391.107 2.539 20 0 GFADRO CC(=O)N1CCC[C@H](C[NH2+]Cc2cn(-c3ccc(Cl)cc3Cl)nn2)C1 ZINC000279788214 563310018 /nfs/dbraw/zinc/31/00/18/563310018.db2.gz LZXBEXVUTDGEKX-CYBMUJFWSA-N 1 0 382.295 2.922 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)C[N@H+]1CC[C@]2(C1)CCCN(C)C2=O ZINC000372557730 563311387 /nfs/dbraw/zinc/31/13/87/563311387.db2.gz OQZQMQXBLHUQKM-SFHVURJKSA-N 1 0 394.313 2.640 20 0 GFADRO CC[C@@H](C)NC(=O)CC[NH2+][C@@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000279956983 563316572 /nfs/dbraw/zinc/31/65/72/563316572.db2.gz CBACITQABHGQQE-ZJUUUORDSA-N 1 0 396.340 2.596 20 0 GFADRO C[NH+](C)C1CCC(NC(=O)Cc2cccc(I)c2)CC1 ZINC000421679718 563318755 /nfs/dbraw/zinc/31/87/55/563318755.db2.gz NHRMVRHQRZWLJG-UHFFFAOYSA-N 1 0 386.277 2.823 20 0 GFADRO C[C@@H]1CN(C(=O)c2cccc(Br)c2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000372856167 563320150 /nfs/dbraw/zinc/32/01/50/563320150.db2.gz IXUSGKORZJJKJP-PBHICJAKSA-N 1 0 380.330 2.547 20 0 GFADRO O=C(NCC1CC[NH2+]CC1)c1coc(-c2ccc(Br)cc2F)n1 ZINC000297226175 563320188 /nfs/dbraw/zinc/32/01/88/563320188.db2.gz OMRIEKHQTGLDGQ-UHFFFAOYSA-N 1 0 382.233 2.973 20 0 GFADRO CCn1ccnc1CNC(=O)[C@@]12CCC(=O)N1c1cc(Cl)ccc1S2 ZINC000297225611 563320192 /nfs/dbraw/zinc/32/01/92/563320192.db2.gz OAUQEFGZSJNCBK-KRWDZBQOSA-N 1 0 376.869 2.802 20 0 GFADRO CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)N1CCc2cccc(Br)c2C1 ZINC000372898267 563322122 /nfs/dbraw/zinc/32/21/22/563322122.db2.gz CLBXRVZMEFOLHC-GMBSWORKSA-N 1 0 393.325 2.866 20 0 GFADRO Cc1c(C(=O)NCC2CC[NH2+]CC2)cnn1-c1cccc(Br)c1 ZINC000297328980 563323746 /nfs/dbraw/zinc/32/37/46/563323746.db2.gz XNKDNXKARJTLJI-UHFFFAOYSA-N 1 0 377.286 2.673 20 0 GFADRO C[C@@H](CO[C@H]1CCOC1)NC(=O)C1CC[NH+](Cc2ccc(Cl)s2)CC1 ZINC000372972585 563324288 /nfs/dbraw/zinc/32/42/88/563324288.db2.gz CNTJTRUMSAOSRQ-ZFWWWQNUSA-N 1 0 386.945 2.924 20 0 GFADRO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1nc2cc(Br)ccn2n1 ZINC000297344338 563324327 /nfs/dbraw/zinc/32/43/27/563324327.db2.gz OVBJNHZREULRDM-QWHCGFSZSA-N 1 0 393.289 2.582 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CN[C@@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000280184171 563326583 /nfs/dbraw/zinc/32/65/83/563326583.db2.gz RUNNUVFGRCVONM-WDEREUQCSA-N 1 0 380.341 2.776 20 0 GFADRO CC[C@H](NC[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000280187534 563326631 /nfs/dbraw/zinc/32/66/31/563326631.db2.gz CTCWGJIKJWBUJC-GUYCJALGSA-N 1 0 385.961 2.773 20 0 GFADRO O=C(c1cc(Cl)ccc1I)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000373052774 563327357 /nfs/dbraw/zinc/32/73/57/563327357.db2.gz CVNUQNKDSIMLSS-RNCFNFMXSA-N 1 0 390.652 2.769 20 0 GFADRO CCOc1c(Br)cc(C[NH2+]C[C@@H](CO)[C@H]2CCOC2)cc1OC ZINC000280266386 563329672 /nfs/dbraw/zinc/32/96/72/563329672.db2.gz KKTPQLQDBBYIBM-KBPBESRZSA-N 1 0 388.302 2.591 20 0 GFADRO COC(=O)c1cc(NC(=O)N2CC[C@@H]3CC[N@H+](C)[C@H]3C2)ccc1Br ZINC000373183798 563331047 /nfs/dbraw/zinc/33/10/47/563331047.db2.gz AAHUZFIUJRAYGQ-NHYWBVRUSA-N 1 0 396.285 2.794 20 0 GFADRO COc1ccc2c(c1)[C@H]([NH3+])CCN2S(=O)(=O)c1c(Cl)ccnc1Cl ZINC000373177434 563331251 /nfs/dbraw/zinc/33/12/51/563331251.db2.gz FGLNITMTXLIUIB-GFCCVEGCSA-N 1 0 388.276 2.996 20 0 GFADRO CN1CCC2(CC[NH+](CCC(=O)Nc3ccc(Br)cc3)CC2)C1=O ZINC000373175485 563331454 /nfs/dbraw/zinc/33/14/54/563331454.db2.gz ZJOJBFUPFFSUGI-UHFFFAOYSA-N 1 0 394.313 2.722 20 0 GFADRO C[NH+](C)CCOCCNC(=O)N1CCC[C@@H]1Cc1ccccc1Br ZINC000422185081 563333127 /nfs/dbraw/zinc/33/31/27/563333127.db2.gz PEMQJCDIPFILAF-MRXNPFEDSA-N 1 0 398.345 2.744 20 0 GFADRO C[NH+]1CCC(n2ccc(NCc3cc(Br)cc4c3OCC4)n2)CC1 ZINC000373263816 563333277 /nfs/dbraw/zinc/33/32/77/563333277.db2.gz LKNYHJQIUBZANQ-UHFFFAOYSA-N 1 0 391.313 3.459 20 0 GFADRO CC(C)n1cc(Br)cc1C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000373298776 563334104 /nfs/dbraw/zinc/33/41/04/563334104.db2.gz KIOCAENFBNVVHF-UHFFFAOYSA-N 1 0 394.317 3.547 20 0 GFADRO CC[C@H]([NH2+]Cc1ccnc(OC)c1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000280389571 563335119 /nfs/dbraw/zinc/33/51/19/563335119.db2.gz WQHDTHZQFYPDPW-HNNXBMFYSA-N 1 0 383.901 2.893 20 0 GFADRO O=C(C1CC[NH+](C2CC2)CC1)N1CCC(n2cc(Br)cn2)CC1 ZINC000373376921 563336164 /nfs/dbraw/zinc/33/61/64/563336164.db2.gz LHBSWLWFLHDIFB-UHFFFAOYSA-N 1 0 381.318 2.684 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)C(=O)Nc1cc(Cl)c(N)c(Cl)c1 ZINC000297828443 563337001 /nfs/dbraw/zinc/33/70/01/563337001.db2.gz JTSDTRIUXXFRPM-LLVKDONJSA-N 1 0 387.311 2.895 20 0 GFADRO CC[C@H](C)[C@H](NC(=O)C(=O)NC[C@H](c1cccs1)[NH+](C)C)C(F)(F)F ZINC000297817810 563337075 /nfs/dbraw/zinc/33/70/75/563337075.db2.gz IXHBTKFIESIHHY-LOWVWBTDSA-N 1 0 379.448 2.560 20 0 GFADRO COc1ccc(C[NH2+][C@H](C)c2ccc(Br)c(S(N)(=O)=O)c2)cc1 ZINC000280445920 563337933 /nfs/dbraw/zinc/33/79/33/563337933.db2.gz CIFYCCHNTHOXGR-LLVKDONJSA-N 1 0 399.310 2.956 20 0 GFADRO Cc1nnc(N2CCC([NH2+]CCCCn3cc(Br)cn3)CC2)s1 ZINC000373465893 563339296 /nfs/dbraw/zinc/33/92/96/563339296.db2.gz BHYYZFZHVPRIBH-UHFFFAOYSA-N 1 0 399.362 2.844 20 0 GFADRO O=S(=O)([N-]c1cnn(C2CC[NH+](Cc3ccsc3)CC2)c1)C(F)F ZINC000373508345 563340793 /nfs/dbraw/zinc/34/07/93/563340793.db2.gz YTHDMGFDJCTFBV-UHFFFAOYSA-N 1 0 376.454 2.746 20 0 GFADRO CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+][C@H](CO)c2ccccc2OC(F)(F)F)C1 ZINC000280514819 563341390 /nfs/dbraw/zinc/34/13/90/563341390.db2.gz NUIZTNBKVAQYIX-OUCADQQQSA-N 1 0 381.416 2.564 20 0 GFADRO CCN(C(=O)C[NH2+][C@@H](c1ccc(Cl)cc1)C(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000298102518 563345036 /nfs/dbraw/zinc/34/50/36/563345036.db2.gz RMDPFYAVAJCERM-SJLPKXTDSA-N 1 0 386.945 2.662 20 0 GFADRO COc1ccsc1S(=O)(=O)N1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000280616952 563345771 /nfs/dbraw/zinc/34/57/71/563345771.db2.gz YRKNXFXKAJUKHE-IYBDPMFKSA-N 1 0 378.519 2.509 20 0 GFADRO O=C(NCCCCn1cc(Br)cn1)NCc1ccc2c[nH+]cn2c1 ZINC000298230512 563348483 /nfs/dbraw/zinc/34/84/83/563348483.db2.gz IHONNFCAPBWTSF-UHFFFAOYSA-N 1 0 391.273 2.573 20 0 GFADRO C[C@@H]([NH2+]CCCOCC1CC1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000280768467 563353403 /nfs/dbraw/zinc/35/34/03/563353403.db2.gz RGKTZIBCUQHMDB-LLVKDONJSA-N 1 0 391.331 2.564 20 0 GFADRO C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000423080449 563354539 /nfs/dbraw/zinc/35/45/39/563354539.db2.gz BPWUMWGTRHTFBK-FRRDWIJNSA-N 1 0 384.307 2.581 20 0 GFADRO CCOC(=O)[C@H]1NCC[C@@H]1[NH2+][C@H]1C[C@H](c2ccc(F)c(Br)c2)C1 ZINC000423099344 563355607 /nfs/dbraw/zinc/35/56/07/563355607.db2.gz TWNZTOGRTWOSON-APYUEPQZSA-N 1 0 385.277 2.717 20 0 GFADRO CCOC(=O)[C@H]1NCC[C@H]1[NH2+][C@H]1C[C@H](c2ccc(F)c(Br)c2)C1 ZINC000423099345 563355702 /nfs/dbraw/zinc/35/57/02/563355702.db2.gz TWNZTOGRTWOSON-BHTHQVBYSA-N 1 0 385.277 2.717 20 0 GFADRO CCOC(=O)[C@H]1NCC[C@@H]1[NH2+]CCc1ccc(Br)cc1Cl ZINC000423145594 563356958 /nfs/dbraw/zinc/35/69/58/563356958.db2.gz LNYLJJHSUDOVJB-KBPBESRZSA-N 1 0 375.694 2.528 20 0 GFADRO C[NH2+]C1CCN(C(=O)C(=O)N(Cc2ccc(Cl)c(Cl)c2)C(C)C)CC1 ZINC000423160997 563357859 /nfs/dbraw/zinc/35/78/59/563357859.db2.gz IHHVNRUBPYFINK-UHFFFAOYSA-N 1 0 386.323 2.941 20 0 GFADRO CC[C@H](NC[C@H](CO)Cc1ccc(OC)c(Br)c1)[C@@H]1CCC[NH2+]1 ZINC000423156185 563357872 /nfs/dbraw/zinc/35/78/72/563357872.db2.gz MGVIYINAYIAWNZ-PVAVHDDUSA-N 1 0 385.346 2.729 20 0 GFADRO CN(CC(C)(C)C[NH3+])C(=O)C(=O)N1CCC[C@H]1c1ccc(Br)cc1 ZINC000423172895 563357968 /nfs/dbraw/zinc/35/79/68/563357968.db2.gz VWFJIAPEKLXQOB-HNNXBMFYSA-N 1 0 396.329 2.556 20 0 GFADRO COCCC[C@@H]([NH2+]CC(=O)NCC(F)F)c1ccc(Br)cc1 ZINC000280860013 563358139 /nfs/dbraw/zinc/35/81/39/563358139.db2.gz NDUAWAFAAWCMGS-CYBMUJFWSA-N 1 0 379.245 2.888 20 0 GFADRO CC[C@@H](CNC(=O)[C@@]1(COC)CC[NH2+]C1)Cc1cccc(Br)c1 ZINC000423215645 563358655 /nfs/dbraw/zinc/35/86/55/563358655.db2.gz QYWVLGGRBYKMNH-KDOFPFPSSA-N 1 0 383.330 2.760 20 0 GFADRO CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)N1CCC(C[NH2+]C)CC1 ZINC000423176549 563358689 /nfs/dbraw/zinc/35/86/89/563358689.db2.gz GJPYTEUKNQEVSZ-UHFFFAOYSA-N 1 0 386.323 2.800 20 0 GFADRO C[C@H]([NH3+])c1ccc(C(=O)NC[C@H](O)COc2ccccc2Br)cc1 ZINC000423238732 563359720 /nfs/dbraw/zinc/35/97/20/563359720.db2.gz ATWNNYJBADRURO-WFASDCNBSA-N 1 0 393.281 2.639 20 0 GFADRO CCn1ccnc1[C@@H](N[C@H](C)C[NH3+])c1ccc(I)cc1 ZINC000423337801 563360076 /nfs/dbraw/zinc/36/00/76/563360076.db2.gz VWLMGFQRTDQQJU-RISCZKNCSA-N 1 0 384.265 2.534 20 0 GFADRO Cc1c([C@H](C)N[C@@H]2C[NH2+]CC[C@H]2C)nnn1-c1cccc(Br)c1 ZINC000423366305 563360585 /nfs/dbraw/zinc/36/05/85/563360585.db2.gz QEFGGTWQULPKOX-BFQNTYOBSA-N 1 0 378.318 2.987 20 0 GFADRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N(C)[C@@H](C)c1ccccc1Br ZINC000423572027 563362053 /nfs/dbraw/zinc/36/20/53/563362053.db2.gz WPWWCXZPAUCISM-BBRMVZONSA-N 1 0 398.345 2.800 20 0 GFADRO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N2CCc3c(Cl)cc(Cl)cc3[C@@H]2C)C1 ZINC000423545955 563362241 /nfs/dbraw/zinc/36/22/41/563362241.db2.gz PQDIEWJLHPIMQM-RYUDHWBXSA-N 1 0 384.307 2.507 20 0 GFADRO COCCOc1c(Cl)cc(NC(=O)COC2CC[NH2+]CC2)cc1Cl ZINC000423840886 563363563 /nfs/dbraw/zinc/36/35/63/563363563.db2.gz FHKAJMINADBNJH-UHFFFAOYSA-N 1 0 377.268 2.726 20 0 GFADRO O=C(COC1CC[NH2+]CC1)NCCc1cc(Cl)ccc1Br ZINC000423915966 563364300 /nfs/dbraw/zinc/36/43/00/563364300.db2.gz YSMIKJXXENFELT-UHFFFAOYSA-N 1 0 375.694 2.530 20 0 GFADRO CCc1nc(C(=O)N(C)[C@H](C[NH3+])C2CC2)nn1-c1c(Cl)cccc1Cl ZINC000423942493 563364982 /nfs/dbraw/zinc/36/49/82/563364982.db2.gz DZWPLPLPKUSOPP-CYBMUJFWSA-N 1 0 382.295 2.946 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)N[C@@H](C[NH3+])C(C)(C)C ZINC000423944927 563365040 /nfs/dbraw/zinc/36/50/40/563365040.db2.gz AHWJMTWEIMQEND-CJNGLKHVSA-N 1 0 386.583 2.841 20 0 GFADRO CCc1ccccc1[C@H]([NH3+])CNC(=O)c1cc(I)c[nH]1 ZINC000423950908 563365097 /nfs/dbraw/zinc/36/50/97/563365097.db2.gz YPDWUAIEPXWQSH-CYBMUJFWSA-N 1 0 383.233 2.612 20 0 GFADRO CC(C)C[C@H](Cc1cccc(Br)c1)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000423990622 563366128 /nfs/dbraw/zinc/36/61/28/563366128.db2.gz KNBQTFLJQVTLDS-WBVHZDCISA-N 1 0 383.330 2.759 20 0 GFADRO COc1ccc(Br)c(CC(=O)N2CCCC[C@H]2[C@H]2CC[NH2+]C2)c1 ZINC000423978851 563366647 /nfs/dbraw/zinc/36/66/47/563366647.db2.gz QXGIGDXDHILSGG-GUYCJALGSA-N 1 0 381.314 2.991 20 0 GFADRO C[C@@H]1CCN(C(=O)c2nn(-c3ccc(F)cc3)cc2Br)C[C@H]1C[NH3+] ZINC000424012853 563366968 /nfs/dbraw/zinc/36/69/68/563366968.db2.gz KBBUBZKVIXEQEV-VXGBXAGGSA-N 1 0 395.276 2.831 20 0 GFADRO CCS(=O)(=O)c1ccc(Sc2ccccc2C(=O)N(C)CC[NH3+])cc1 ZINC000423999743 563367123 /nfs/dbraw/zinc/36/71/23/563367123.db2.gz CUPLEIPYMBDLAU-UHFFFAOYSA-N 1 0 378.519 2.662 20 0 GFADRO O=S(=O)(Cc1ccc(Cl)nc1)N1CCNC[C@H]1c1ccccc1Cl ZINC000374311108 563367322 /nfs/dbraw/zinc/36/73/22/563367322.db2.gz MAJKBJULRRQWTF-HNNXBMFYSA-N 1 0 386.304 2.865 20 0 GFADRO C[C@H]1CCN(C(=O)c2cc(=O)[nH]c3ccc(Br)cc32)C[C@H]1C[NH3+] ZINC000424026219 563367939 /nfs/dbraw/zinc/36/79/39/563367939.db2.gz XFIWPLSFLJVGFU-WDEREUQCSA-N 1 0 378.270 2.760 20 0 GFADRO COc1cc([C@@H](C)[NH2+][C@H](CO)CC2CCC2)ccc1S(=O)(=O)C(F)F ZINC000281230197 563370314 /nfs/dbraw/zinc/37/03/14/563370314.db2.gz UQHBWROIHNPDBE-RISCZKNCSA-N 1 0 377.453 2.893 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2C(=O)Cc1cc(Br)ccc1F ZINC000374412044 563371282 /nfs/dbraw/zinc/37/12/82/563371282.db2.gz PKLADQHPWNNLGF-PVAVHDDUSA-N 1 0 399.304 2.841 20 0 GFADRO CN(Cc1cccs1)C(=O)C[NH2+][C@@H](CO)c1ccc(Br)cc1 ZINC000298985500 563372386 /nfs/dbraw/zinc/37/23/86/563372386.db2.gz PRPZWIPEPHGNKG-HNNXBMFYSA-N 1 0 383.311 2.792 20 0 GFADRO CCO[C@@H](CC[NH+](C)C)CNC(=O)C(=O)Nc1cc(Cl)c(Cl)cc1F ZINC000281337756 563373911 /nfs/dbraw/zinc/37/39/11/563373911.db2.gz CPGGIQUMWZXEKM-JTQLQIEISA-N 1 0 394.274 2.544 20 0 GFADRO Cc1nc(N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)sc1S(N)(=O)=O ZINC000374538510 563375289 /nfs/dbraw/zinc/37/52/89/563375289.db2.gz RDRHWOFGWQJHSX-SWLSCSKDSA-N 1 0 380.539 2.564 20 0 GFADRO COc1cc(C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc(OC)c1Br ZINC000374611665 563377506 /nfs/dbraw/zinc/37/75/06/563377506.db2.gz KBEFOMXGXDMDBK-WCFLWFBJSA-N 1 0 383.286 2.666 20 0 GFADRO Cc1sc(Br)cc1S(=O)(=O)N1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424389610 563378262 /nfs/dbraw/zinc/37/82/62/563378262.db2.gz ILWIDJODFQGUQC-JTQLQIEISA-N 1 0 393.372 2.972 20 0 GFADRO Cc1cn2c(n1)CN(C(=O)c1cc(S(C)(=O)=O)c(Cl)cc1Cl)CC2 ZINC000374642937 563378567 /nfs/dbraw/zinc/37/85/67/563378567.db2.gz CXLVWBIWTHSHQA-UHFFFAOYSA-N 1 0 388.276 2.558 20 0 GFADRO C[C@H](NC(=O)N[C@@H]1CCCC[C@H]1[NH3+])c1cc2c(cc1Br)OCCO2 ZINC000424451288 563379588 /nfs/dbraw/zinc/37/95/88/563379588.db2.gz CRZLMDJRMFTWTG-ZLKJLUDKSA-N 1 0 398.301 2.850 20 0 GFADRO CC(C)(CC[NH3+])NC(=O)NCc1cc(Cl)cc(I)c1 ZINC000424466883 563379649 /nfs/dbraw/zinc/37/96/49/563379649.db2.gz LQVSGXNPKJBLSM-UHFFFAOYSA-N 1 0 395.672 2.871 20 0 GFADRO CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2cc(Cl)c(Cl)cc2F)C1 ZINC000281606444 563380491 /nfs/dbraw/zinc/38/04/91/563380491.db2.gz BSFBXHXTPVYDQE-SNVBAGLBSA-N 1 0 376.259 2.919 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)NCc1noc(-c2cccs2)n1)c1ccsc1 ZINC000299288030 563380657 /nfs/dbraw/zinc/38/06/57/563380657.db2.gz BEUKYZCXLYKWLW-GFCCVEGCSA-N 1 0 377.495 2.962 20 0 GFADRO Cc1sc(Br)c(C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)c1C ZINC000281606758 563380751 /nfs/dbraw/zinc/38/07/51/563380751.db2.gz ASZHGLHTMMNXBB-ZDUSSCGKSA-N 1 0 387.343 2.922 20 0 GFADRO O=C(CNC(=O)c1cccs1)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000299437283 563383398 /nfs/dbraw/zinc/38/33/98/563383398.db2.gz FGCCDZWDKJRBGG-AWEZNQCLSA-N 1 0 377.535 2.568 20 0 GFADRO COCCC[N@@H+]1CCCN(C(=O)NCc2ccsc2Br)CC1 ZINC000374846659 563384233 /nfs/dbraw/zinc/38/42/33/563384233.db2.gz ZRRUUMVITMTGMV-UHFFFAOYSA-N 1 0 390.347 2.764 20 0 GFADRO CN(C(=O)Cc1noc2ccc(Br)cc21)[C@@H]1C[NH+]2CCC1CC2 ZINC000424667746 563386278 /nfs/dbraw/zinc/38/62/78/563386278.db2.gz RNOLRVGFOUQBGP-OAHLLOKOSA-N 1 0 378.270 2.685 20 0 GFADRO Cn1cc(-c2ccc(C[N@@H+]3CCC[C@H]3C(=O)N3CCSCC3)s2)cn1 ZINC000374934982 563386642 /nfs/dbraw/zinc/38/66/42/563386642.db2.gz ZMBIVQJMFIUOSP-INIZCTEOSA-N 1 0 376.551 2.688 20 0 GFADRO C[N@@H+]1CC[C@@H]2CCN([C@@H]3CC(=O)N(c4cccc(Cl)c4Cl)C3=O)C[C@H]21 ZINC000375052531 563389070 /nfs/dbraw/zinc/38/90/70/563389070.db2.gz CMPXCTQQFAFCEO-KCPJHIHWSA-N 1 0 382.291 2.651 20 0 GFADRO COc1ncc(C(=O)N2CC[N@@H+](C3CCC3)C[C@H](C)C2)cc1Br ZINC000424830750 563394359 /nfs/dbraw/zinc/39/43/59/563394359.db2.gz LQLROZVVZNPDLW-LBPRGKRZSA-N 1 0 382.302 2.799 20 0 GFADRO C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)Nc1ccc(Br)cn1 ZINC000301355718 563401632 /nfs/dbraw/zinc/40/16/32/563401632.db2.gz KRSXYZWPQHRRMM-AWEZNQCLSA-N 1 0 376.302 2.862 20 0 GFADRO Cc1cc(CC(=O)Nc2cc(Br)ccc2N(C)CC[NH+](C)C)no1 ZINC000425095817 563403313 /nfs/dbraw/zinc/40/33/13/563403313.db2.gz CJPRXXNTQFXDLR-UHFFFAOYSA-N 1 0 395.301 2.925 20 0 GFADRO CC(C)(C)[N@@H+]1CCc2nc(NC(=O)Cn3cc(Br)cn3)sc2C1 ZINC000425087785 563403639 /nfs/dbraw/zinc/40/36/39/563403639.db2.gz VGFYZGOWRCUFBU-UHFFFAOYSA-N 1 0 398.330 2.897 20 0 GFADRO O=S1(=O)CC[C@@H]([NH2+]C2CCN(Cc3cnc(C4CCCC4)s3)CC2)C1 ZINC000375451102 563405632 /nfs/dbraw/zinc/40/56/32/563405632.db2.gz MJKDXZDSADLWEC-MRXNPFEDSA-N 1 0 383.583 2.542 20 0 GFADRO C[NH+]1CCC(n2ccc(NC(=O)N3CC[C@@]4(C)[C@@H](C3)C4(Cl)Cl)n2)CC1 ZINC000375489572 563407287 /nfs/dbraw/zinc/40/72/87/563407287.db2.gz CBZLNNOXUKSUOX-CJNGLKHVSA-N 1 0 386.327 3.197 20 0 GFADRO C[NH+]1CCC(n2ccc(NC(=O)N3CC[C@]4(C)[C@H](C3)C4(Cl)Cl)n2)CC1 ZINC000375489576 563407448 /nfs/dbraw/zinc/40/74/48/563407448.db2.gz CBZLNNOXUKSUOX-XJKSGUPXSA-N 1 0 386.327 3.197 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCC(=O)N[C@H]1c1cncn1C)c1ccc(Br)cc1F ZINC000375516457 563408218 /nfs/dbraw/zinc/40/82/18/563408218.db2.gz BLWHIALTFJSLEH-NCAQKEMTSA-N 1 0 395.276 2.992 20 0 GFADRO O=C(c1cn2cc(Cl)cc(Cl)c2n1)N1CC[NH+](C2CCOCC2)CC1 ZINC000282432709 563411473 /nfs/dbraw/zinc/41/14/73/563411473.db2.gz RKPYQLNYYVMYST-UHFFFAOYSA-N 1 0 383.279 2.578 20 0 GFADRO C[NH+]1CCC2(CCCN2S(=O)(=O)c2cccc(Br)c2F)CC1 ZINC000375634931 563412297 /nfs/dbraw/zinc/41/22/97/563412297.db2.gz MTWZDOUIFBYLRO-UHFFFAOYSA-N 1 0 391.306 2.837 20 0 GFADRO COC(=O)[C@]1(C)C[N@H+](Cc2nnc(-c3ccc(Br)o3)o2)C[C@H]1C ZINC000282527310 563414530 /nfs/dbraw/zinc/41/45/30/563414530.db2.gz PXWLAPPUEZCYPG-RFAUZJTJSA-N 1 0 384.230 2.723 20 0 GFADRO O=S(=O)(c1cccs1)N1CC[C@@H](C[NH2+]Cc2cc(F)c(F)c(F)c2)C1 ZINC000375751909 563417095 /nfs/dbraw/zinc/41/70/95/563417095.db2.gz YILRJURYZTZIOM-NSHDSACASA-N 1 0 390.452 2.966 20 0 GFADRO COC(=O)c1sc(N2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)nc1Cl ZINC000301969142 563417460 /nfs/dbraw/zinc/41/74/60/563417460.db2.gz ZVRGVMUSNOAKFO-RYUDHWBXSA-N 1 0 387.933 2.909 20 0 GFADRO OCCOC1(C[NH2+]Cc2ccc(Br)cc2Cl)CCOCC1 ZINC000282598282 563417469 /nfs/dbraw/zinc/41/74/69/563417469.db2.gz HIWFCLZPLJUWEQ-UHFFFAOYSA-N 1 0 378.694 2.750 20 0 GFADRO Cc1[nH+]c2ccc(Br)cc2c(NCC(=O)N2CCOCC2)c1C ZINC000302015829 563418898 /nfs/dbraw/zinc/41/88/98/563418898.db2.gz LPYIHYSJBDOXEH-UHFFFAOYSA-N 1 0 378.270 2.885 20 0 GFADRO CCOCCOc1ccc(Br)cc1C[N@@H+]1CC[C@H](c2nnc[nH]2)C1 ZINC000425356529 563418876 /nfs/dbraw/zinc/41/88/76/563418876.db2.gz NTZXTJGGPGPEPI-ZDUSSCGKSA-N 1 0 395.301 2.972 20 0 GFADRO Cc1ncc([C@@H](C)[NH2+]C[C@@H]2CCN(S(=O)(=O)c3cccs3)C2)c(C)n1 ZINC000375839259 563420440 /nfs/dbraw/zinc/42/04/40/563420440.db2.gz MARWXYDDEWYJGG-DOMZBBRYSA-N 1 0 380.539 2.516 20 0 GFADRO COCC(C)(C)[NH+]1CCN(C(=O)NCc2sccc2Br)CC1 ZINC000425434987 563422394 /nfs/dbraw/zinc/42/23/94/563422394.db2.gz QVRMMVRIZHXEFS-UHFFFAOYSA-N 1 0 390.347 2.763 20 0 GFADRO C[N@@H+]1CCN(CCNC(=O)Nc2ccc(F)cc2Br)CC1(C)C ZINC000282735176 563422986 /nfs/dbraw/zinc/42/29/86/563422986.db2.gz ONRGKYMPHHHSQK-UHFFFAOYSA-N 1 0 387.297 2.736 20 0 GFADRO COC(=O)[C@H](CC[N@H+](C)CCn1cc(Br)cn1)c1ccccc1 ZINC000425462628 563423458 /nfs/dbraw/zinc/42/34/58/563423458.db2.gz WRKAZPYQCLPJKZ-MRXNPFEDSA-N 1 0 380.286 2.924 20 0 GFADRO NC(=O)c1c[nH+]ccc1NC[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000302240789 563423706 /nfs/dbraw/zinc/42/37/06/563423706.db2.gz XPVZXPNOEZBMJP-GFCCVEGCSA-N 1 0 375.270 2.881 20 0 GFADRO OCCOC1(C[NH2+]Cc2cc(Cl)ccc2Br)CCOCC1 ZINC000282777470 563424138 /nfs/dbraw/zinc/42/41/38/563424138.db2.gz VKCUZGCESSAIMU-UHFFFAOYSA-N 1 0 378.694 2.750 20 0 GFADRO C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1NC(=O)C1CCN(C(=O)c2ccc(Cl)s2)CC1 ZINC000375938551 563424329 /nfs/dbraw/zinc/42/43/29/563424329.db2.gz SOZDEAZHVLHDID-BFQNTYOBSA-N 1 0 383.945 2.756 20 0 GFADRO C[C@@H](CC[NH+]1CCN(C)CC1)Nc1ncnc2ccc(Br)cc21 ZINC000302291226 563424526 /nfs/dbraw/zinc/42/45/26/563424526.db2.gz WSIIYXRUOSUXAV-ZDUSSCGKSA-N 1 0 378.318 2.830 20 0 GFADRO CC(C)[C@H]1CN(C)CC[N@@H+]1C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000425488975 563424724 /nfs/dbraw/zinc/42/47/24/563424724.db2.gz XQNHOORGPXEFPZ-DOTOQJQBSA-N 1 0 389.309 2.600 20 0 GFADRO CC(C)[C@@H]1CN(C)CC[N@@H+]1C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000425488980 563424742 /nfs/dbraw/zinc/42/47/42/563424742.db2.gz XQNHOORGPXEFPZ-WBVHZDCISA-N 1 0 389.309 2.600 20 0 GFADRO C[C@H](Cc1ccc(Br)cc1)[NH2+][C@@H]1CCN(c2ccn(C)n2)C1=O ZINC000375984303 563425659 /nfs/dbraw/zinc/42/56/59/563425659.db2.gz IKVBSDSLTNKSQU-IUODEOHRSA-N 1 0 377.286 2.509 20 0 GFADRO COCC(C)(C)[NH+]1CCN(CC(=O)Nc2ccc(C)cc2Br)CC1 ZINC000425500870 563425903 /nfs/dbraw/zinc/42/59/03/563425903.db2.gz CSEQDFWDAJXQFS-UHFFFAOYSA-N 1 0 398.345 2.739 20 0 GFADRO O=C1N[C@H]2CN(Cc3cnn(-c4ccc(Br)cc4)c3)CC[C@@H]2CO1 ZINC000375996466 563426252 /nfs/dbraw/zinc/42/62/52/563426252.db2.gz ZGROCXJQSCMODF-CJNGLKHVSA-N 1 0 391.269 2.565 20 0 GFADRO Cc1ccc(-n2ncc(N3C[C@@H]4C[N@H+](C)C[C@@H]4C3)c(Cl)c2=O)cc1Cl ZINC000302864370 563431027 /nfs/dbraw/zinc/43/10/27/563431027.db2.gz SWYWCVOMLZOEFC-BETUJISGSA-N 1 0 379.291 2.846 20 0 GFADRO CC[N@H+](CCNC(=O)[C@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1)C1CC1 ZINC000303102127 563433001 /nfs/dbraw/zinc/43/30/01/563433001.db2.gz CPQDOKBTZDUPJA-LBPRGKRZSA-N 1 0 384.307 2.947 20 0 GFADRO CC[NH+](CC)CCCNC(=O)C(=O)Nc1cc(Cl)ccc1OC(F)F ZINC000425727161 563433494 /nfs/dbraw/zinc/43/34/94/563433494.db2.gz QHDBDRUBAKFGKI-UHFFFAOYSA-N 1 0 377.819 2.728 20 0 GFADRO Ic1cnc(N2CCC[N@H+](Cc3ccccc3)CC2)nc1 ZINC000306205439 563434111 /nfs/dbraw/zinc/43/41/11/563434111.db2.gz GJYUSMYERWGLJD-UHFFFAOYSA-N 1 0 394.260 2.794 20 0 GFADRO C[N@@H+]1CC[C@@H](CNS(=O)(=O)c2cnc(Cl)c(F)c2)[C@H]1c1cccs1 ZINC000376267935 563435310 /nfs/dbraw/zinc/43/53/10/563435310.db2.gz YAPMWEXCEBYONN-HZMBPMFUSA-N 1 0 389.905 2.907 20 0 GFADRO C[C@@H](C[NH+](C)C)NC(=O)NCc1cc(Cl)cc(I)c1 ZINC000425789169 563437332 /nfs/dbraw/zinc/43/73/32/563437332.db2.gz YAFPNJZSFYTPNC-VIFPVBQESA-N 1 0 395.672 2.694 20 0 GFADRO CC[N@H+](CCNC(=O)N[C@H]1CCO[C@]2(CCSC2)C1)CCC(F)(F)F ZINC000425980288 563441307 /nfs/dbraw/zinc/44/13/07/563441307.db2.gz WBLGHAJTLGAFEY-DZGCQCFKSA-N 1 0 383.480 2.615 20 0 GFADRO CC[N@H+](CCNC(=O)N[C@H]1CCO[C@@]2(CCSC2)C1)CCC(F)(F)F ZINC000425980296 563441456 /nfs/dbraw/zinc/44/14/56/563441456.db2.gz WBLGHAJTLGAFEY-ZFWWWQNUSA-N 1 0 383.480 2.615 20 0 GFADRO CCOc1ccc(Br)cc1S(=O)(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000317962086 563443080 /nfs/dbraw/zinc/44/30/80/563443080.db2.gz IVTAQMBMDMJJPC-HNNXBMFYSA-N 1 0 391.331 2.516 20 0 GFADRO O=c1ccc(Br)cn1C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000283572001 563448138 /nfs/dbraw/zinc/44/81/38/563448138.db2.gz QEERCDNCROSYOP-QGZVFWFLSA-N 1 0 377.282 2.902 20 0 GFADRO O=C(N[C@@H]1CCN(c2ccccc2Br)C1)[C@H]1CCC[N@@H+]1C1CC1 ZINC000426310382 563448379 /nfs/dbraw/zinc/44/83/79/563448379.db2.gz KIDPNTGPGNUKHF-CXAGYDPISA-N 1 0 378.314 2.771 20 0 GFADRO O=C(C[N@@H+]1CC[C@@H]2CCC[C@@H]21)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000426462197 563451493 /nfs/dbraw/zinc/45/14/93/563451493.db2.gz VBWYZSJFPMHJLK-BBRMVZONSA-N 1 0 383.323 2.911 20 0 GFADRO Cc1cc(C(=O)Nc2ccc(N3CC[NH2+]CC3)cn2)ccc1Br ZINC000324335728 563452101 /nfs/dbraw/zinc/45/21/01/563452101.db2.gz CHHUJKCBEABZPQ-UHFFFAOYSA-N 1 0 375.270 2.814 20 0 GFADRO COc1ccc(C[NH2+]C[C@@H](O)COc2ccc(Br)cc2)cc1OC ZINC000324236346 563452200 /nfs/dbraw/zinc/45/22/00/563452200.db2.gz WVABIVWUDMTKSW-OAHLLOKOSA-N 1 0 396.281 2.996 20 0 GFADRO CC(C)(C(=O)N1CCC[N@@H+]2CCC[C@H]2C1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000376762630 563453391 /nfs/dbraw/zinc/45/33/91/563453391.db2.gz FAVXHPKKRPIOGS-HNNXBMFYSA-N 1 0 384.929 2.589 20 0 GFADRO CC(C)N1CC[C@@H](NC(=O)C2CC[NH+](Cc3ccc(Cl)s3)CC2)C1=O ZINC000376763839 563453572 /nfs/dbraw/zinc/45/35/72/563453572.db2.gz IFTSXPCQGQSWOW-OAHLLOKOSA-N 1 0 383.945 2.739 20 0 GFADRO O=S(=O)(c1cccc(OC(F)(F)F)c1)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000327388332 563457981 /nfs/dbraw/zinc/45/79/81/563457981.db2.gz QWBTXNPKKGQKAR-DOMZBBRYSA-N 1 0 378.416 2.738 20 0 GFADRO [NH3+]C[C@H]1Cc2ccccc2N(S(=O)(=O)c2ccc(Br)s2)C1 ZINC000328507982 563460888 /nfs/dbraw/zinc/46/08/88/563460888.db2.gz ZDTTYQNFHRFNTR-SNVBAGLBSA-N 1 0 387.324 2.837 20 0 GFADRO CC(C)[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000328740766 563464178 /nfs/dbraw/zinc/46/41/78/563464178.db2.gz NFHWJCLAFKRFEO-MRXNPFEDSA-N 1 0 383.945 2.853 20 0 GFADRO COc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCS(=O)(=O)C2)cc1Br ZINC000284136552 563465369 /nfs/dbraw/zinc/46/53/69/563465369.db2.gz OOBHGPQDBMBMML-NEPJUHHUSA-N 1 0 376.316 2.933 20 0 GFADRO NS(=O)(=O)C[C@@H]1CCC[N@H+](Cc2cnc(-c3ccc(Cl)cc3)s2)C1 ZINC000284241446 563468535 /nfs/dbraw/zinc/46/85/35/563468535.db2.gz FDDGLOUWKCIRKB-GFCCVEGCSA-N 1 0 385.942 2.964 20 0 GFADRO O=C(Cc1cn2ccccc2n1)N(CCO)Cc1cc(Br)cs1 ZINC000427549903 563469372 /nfs/dbraw/zinc/46/93/72/563469372.db2.gz NBNHRJLLJMHBGA-UHFFFAOYSA-N 1 0 394.294 2.722 20 0 GFADRO O[C@H](COc1c(Cl)cccc1Cl)CN1CCOC[C@H]1[C@H]1CCCO1 ZINC000329076713 563472493 /nfs/dbraw/zinc/47/24/93/563472493.db2.gz QAWPFVSCUKWWCB-VBNZEHGJSA-N 1 0 376.280 2.613 20 0 GFADRO CC1CC[NH+](C[C@H](O)CNC(=O)c2c[nH]nc2-c2ccc(Cl)s2)CC1 ZINC000427749809 563473978 /nfs/dbraw/zinc/47/39/78/563473978.db2.gz VRQCFOOARLCMJF-GFCCVEGCSA-N 1 0 382.917 2.614 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)C(=O)NCC(C)(C)c1cccs1)c1cccs1 ZINC000284444480 563474545 /nfs/dbraw/zinc/47/45/45/563474545.db2.gz PJXPSAZXLIZKEJ-CYBMUJFWSA-N 1 0 379.551 2.623 20 0 GFADRO COC(=O)c1ccc(CN2CCS[C@@H]3COCC[C@H]32)c(Br)c1 ZINC000284457281 563475665 /nfs/dbraw/zinc/47/56/65/563475665.db2.gz UTNBXBNXYRURQO-HUUCEWRRSA-N 1 0 386.311 2.942 20 0 GFADRO COc1cc(Br)ccc1C(=O)N1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000377476500 563477022 /nfs/dbraw/zinc/47/70/22/563477022.db2.gz ILDQESQDMCBPBR-ZDUSSCGKSA-N 1 0 397.313 2.783 20 0 GFADRO CCOc1ccc(S(=O)(=O)N[C@@H](C)CCCC[NH3+])cc1Br ZINC000427951304 563479239 /nfs/dbraw/zinc/47/92/39/563479239.db2.gz OIVAMQWMDGXZEW-NSHDSACASA-N 1 0 379.320 2.644 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)[C@@H]1CCC[NH2+][C@@H]1C ZINC000377578488 563480106 /nfs/dbraw/zinc/48/01/06/563480106.db2.gz FRIWQLYTOOCOBA-TZMCWYRMSA-N 1 0 382.302 2.543 20 0 GFADRO Cc1c2cc(Br)cc(C)c2oc1C(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000428006133 563480718 /nfs/dbraw/zinc/48/07/18/563480718.db2.gz NAFREQMKVJONTJ-KRWDZBQOSA-N 1 0 381.270 2.609 20 0 GFADRO COc1cc(C[NH2+][C@@H]2CCCN(c3ccncn3)C2)c(Br)cc1O ZINC000377651367 563482242 /nfs/dbraw/zinc/48/22/42/563482242.db2.gz SXDGFRLDASVTLE-CYBMUJFWSA-N 1 0 393.285 2.712 20 0 GFADRO Cc1cc(S(=O)(=O)N(C)C2CCN(c3cc[nH+]cc3)CC2)cnc1Cl ZINC000377692788 563483315 /nfs/dbraw/zinc/48/33/15/563483315.db2.gz BFITZGIYPLRGHL-UHFFFAOYSA-N 1 0 380.901 2.728 20 0 GFADRO C[C@@H]1C[C@H](C)CN(S(=O)(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)C1 ZINC000329618644 563484041 /nfs/dbraw/zinc/48/40/41/563484041.db2.gz LZMVCAPBJLUHBW-UIBIWLFHSA-N 1 0 385.599 2.943 20 0 GFADRO CN(C)S(=O)(=O)N1CCCN(Cc2csc(C3CCCCC3)n2)CC1 ZINC000377762418 563485770 /nfs/dbraw/zinc/48/57/70/563485770.db2.gz NJAOOJDVKWDWJO-UHFFFAOYSA-N 1 0 386.587 2.505 20 0 GFADRO CC(C)[NH+]1CCN([C@@H]2CCN(C[C@H](O)c3cccc(Br)c3)C2)CC1 ZINC000377898346 563490346 /nfs/dbraw/zinc/49/03/46/563490346.db2.gz BQWFSBOHTWCFFG-MOPGFXCFSA-N 1 0 396.373 2.583 20 0 GFADRO CCN1CCN(Cc2cc3c(cc2Br)OCO3)C[C@H]1c1ncc[nH]1 ZINC000329967660 563492212 /nfs/dbraw/zinc/49/22/12/563492212.db2.gz WIDKKSDXQFZZQH-AWEZNQCLSA-N 1 0 393.285 2.780 20 0 GFADRO C[NH2+][C@@H]1CCN(C(=O)c2cccn2-c2ccc(I)cc2)C1 ZINC000428446844 563492396 /nfs/dbraw/zinc/49/23/96/563492396.db2.gz KSTHRJKPCBDQMG-CYBMUJFWSA-N 1 0 395.244 2.516 20 0 GFADRO C[N@@H+]1CC[C@@H](CNC(=O)CSc2n[n-]c(=S)s2)[C@@H]1c1cccs1 ZINC000377971145 563492505 /nfs/dbraw/zinc/49/25/05/563492505.db2.gz WLJAAGCULJOSAF-JOYOIKCWSA-N 1 0 386.593 2.790 20 0 GFADRO C[N@@H+]1CC[C@H](CNC(=O)CSc2n[n-]c(=S)s2)[C@H]1c1cccs1 ZINC000377971146 563492709 /nfs/dbraw/zinc/49/27/09/563492709.db2.gz WLJAAGCULJOSAF-SKDRFNHKSA-N 1 0 386.593 2.790 20 0 GFADRO CC(C)[NH+]1CCC(NC(=O)C(=O)NCCc2cc(Cl)cc(Cl)c2)CC1 ZINC000284893001 563494026 /nfs/dbraw/zinc/49/40/26/563494026.db2.gz PGBSYISOQBMAKD-UHFFFAOYSA-N 1 0 386.323 2.641 20 0 GFADRO CC(C)[NH+]1CCC(N2CCN(C(=O)C(=O)c3ccc(Cl)s3)CC2)CC1 ZINC000428495364 563494243 /nfs/dbraw/zinc/49/42/43/563494243.db2.gz CFSHMWOMBWNRFY-UHFFFAOYSA-N 1 0 383.945 2.601 20 0 GFADRO Cn1cncc1CNC(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000378051288 563494822 /nfs/dbraw/zinc/49/48/22/563494822.db2.gz RAYACEDXHDAQGE-MLGOLLRUSA-N 1 0 381.263 2.563 20 0 GFADRO C[N@@H+]1CCN(C(=O)Cc2cc[nH]c(=O)c2Br)C2(CCCCC2)C1 ZINC000330112250 563496406 /nfs/dbraw/zinc/49/64/06/563496406.db2.gz BTXGORSSNFYMQI-UHFFFAOYSA-N 1 0 382.302 2.569 20 0 GFADRO CC1CCC([NH+]2CCN(C(=O)Cc3cc[nH]c(=O)c3Br)CC2)CC1 ZINC000330147904 563497160 /nfs/dbraw/zinc/49/71/60/563497160.db2.gz UJEGAAVNHXVPMW-UHFFFAOYSA-N 1 0 396.329 2.815 20 0 GFADRO Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](C[C@@H]3CCCO3)C[C@@H]2C)c(Br)n1 ZINC000378282097 563501231 /nfs/dbraw/zinc/50/12/31/563501231.db2.gz LPSHMULQCIOYME-DUVNUKRYSA-N 1 0 396.329 2.772 20 0 GFADRO O=C(NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1)N[C@H](CO)CC(F)F ZINC000428754952 563501312 /nfs/dbraw/zinc/50/13/12/563501312.db2.gz VAFKOTFIVXWHFG-GJZGRUSLSA-N 1 0 375.847 2.792 20 0 GFADRO C[C@@H]1CN(C(=O)Nc2ccccc2Br)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000378305938 563501724 /nfs/dbraw/zinc/50/17/24/563501724.db2.gz NMXIHRRQSZTYMV-PBHICJAKSA-N 1 0 395.345 2.939 20 0 GFADRO CNS(=O)(=O)c1ccc(NC2CC[NH+](Cc3ccsc3)CC2)c(F)c1 ZINC000378335724 563502656 /nfs/dbraw/zinc/50/26/56/563502656.db2.gz SJECDEBSVCQNCK-UHFFFAOYSA-N 1 0 383.514 2.872 20 0 GFADRO [NH3+]C1CCC(NC(=O)[C@@H](c2ccc(Cl)cc2Cl)N2CCOCC2)CC1 ZINC000428969757 563505600 /nfs/dbraw/zinc/50/56/00/563505600.db2.gz RZESCPPRUCIISD-MQBCKMQZSA-N 1 0 386.323 2.753 20 0 GFADRO CC(=O)N1CCC(NC(=O)C[NH2+]C(C)(C)c2ccc(Cl)c(Cl)c2)CC1 ZINC000330431264 563505657 /nfs/dbraw/zinc/50/56/57/563505657.db2.gz WADACDIKNGRAHP-UHFFFAOYSA-N 1 0 386.323 2.945 20 0 GFADRO COc1ccc(Br)cc1C(=O)CCC(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000428977446 563505712 /nfs/dbraw/zinc/50/57/12/563505712.db2.gz NDEWYKRCTUUTQA-CHWSQXEVSA-N 1 0 397.313 2.925 20 0 GFADRO O=C(CCCS(=O)(=O)c1ccc(Cl)cc1)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000285171087 563506104 /nfs/dbraw/zinc/50/61/04/563506104.db2.gz MWXHMBQCRXUWCN-DLBZAZTESA-N 1 0 384.929 2.637 20 0 GFADRO C[C@H]([NH2+]C[C@@H]1CCN(C)[C@@H]1c1cccs1)c1ccc(S(N)(=O)=O)cc1 ZINC000378434676 563506697 /nfs/dbraw/zinc/50/66/97/563506697.db2.gz SZYCSFSBYJXOFV-YEWWUXTCSA-N 1 0 379.551 2.739 20 0 GFADRO C[N@@H+]1CC[C@H]2CCN(C(=O)c3c(F)cccc3I)C[C@@H]21 ZINC000378448500 563507267 /nfs/dbraw/zinc/50/72/67/563507267.db2.gz DODTWLQXCCKPFC-GWCFXTLKSA-N 1 0 388.224 2.597 20 0 GFADRO C[C@@H]1C[C@@H]1[N@@H+]1CCN([C@H](C(N)=O)c2ccc(Br)cc2)C[C@@H](C)C1 ZINC000429015905 563507956 /nfs/dbraw/zinc/50/79/56/563507956.db2.gz AUPXFIHONOOPPO-RMHZUWNSSA-N 1 0 380.330 2.638 20 0 GFADRO C[C@H]([NH3+])CCNC(=O)c1cccn1-c1ccc(I)cc1 ZINC000429029855 563508747 /nfs/dbraw/zinc/50/87/47/563508747.db2.gz NTQADHGALJVVOK-NSHDSACASA-N 1 0 383.233 2.549 20 0 GFADRO C[C@H]([NH3+])CCNC(=O)c1ccccc1Sc1ccc(S(C)(=O)=O)cc1 ZINC000429050962 563509413 /nfs/dbraw/zinc/50/94/13/563509413.db2.gz YOKFLJWFJCQXER-ZDUSSCGKSA-N 1 0 378.519 2.708 20 0 GFADRO CS(=O)(=O)CC[C@H]([NH3+])C(=O)N[C@@H]1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000378531451 563510718 /nfs/dbraw/zinc/51/07/18/563510718.db2.gz URTGEBGIYKOBHS-BYCMXARLSA-N 1 0 393.336 2.508 20 0 GFADRO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)CCNC(=O)Nc1ccc(Br)cc1 ZINC000429278496 563513079 /nfs/dbraw/zinc/51/30/79/563513079.db2.gz IYDGELKYHWCZGQ-DOMZBBRYSA-N 1 0 397.317 2.594 20 0 GFADRO COC(=O)c1sccc1S(=O)(=O)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000330601706 563513525 /nfs/dbraw/zinc/51/35/25/563513525.db2.gz GSYQSOAZTAKPRV-BETUJISGSA-N 1 0 388.555 2.570 20 0 GFADRO Cc1cc(C[NH2+][C@H]2CCCC[C@H]2NS(C)(=O)=O)ccc1Br ZINC000330617450 563514298 /nfs/dbraw/zinc/51/42/98/563514298.db2.gz XBSSJOFGAIPVQD-LSDHHAIUSA-N 1 0 375.332 2.708 20 0 GFADRO CS(=O)(=O)[C@@H]1CCC[C@@H]([NH2+]Cc2cc(Br)cc3c2OCC3)C1 ZINC000378904370 563514441 /nfs/dbraw/zinc/51/44/41/563514441.db2.gz JQGIDTBBPFOPEB-HUUCEWRRSA-N 1 0 388.327 2.829 20 0 GFADRO C[NH+](C)[C@H]1CCC[C@@H]1NS(=O)(=O)c1ccc(Br)cc1Cl ZINC000429337706 563514622 /nfs/dbraw/zinc/51/46/22/563514622.db2.gz VAQDKJQJFJMCGW-RYUDHWBXSA-N 1 0 381.723 2.864 20 0 GFADRO C[C@H]1CN([C@H](C(N)=O)c2ccc(Br)cc2F)CC[N@@H+](C2CCC2)C1 ZINC000429375333 563515331 /nfs/dbraw/zinc/51/53/31/563515331.db2.gz YMTNNZUWOVBSCW-PXAZEXFGSA-N 1 0 398.320 2.921 20 0 GFADRO CCN(CCC[NH2+][C@H]1CCc2sc(Br)cc21)S(C)(=O)=O ZINC000380726851 563515313 /nfs/dbraw/zinc/51/53/13/563515313.db2.gz RLPDGZXZKLFOCA-NSHDSACASA-N 1 0 381.361 2.759 20 0 GFADRO C[C@@H]1CN([C@@H](C(N)=O)c2ccc(Br)cc2)CC[N@@H+](C2CCC2)C1 ZINC000429403766 563516064 /nfs/dbraw/zinc/51/60/64/563516064.db2.gz TXYFMDMLRGVFKN-SUMWQHHRSA-N 1 0 380.330 2.782 20 0 GFADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNS(=O)(=O)c2cccnc2C(F)(F)F)C1 ZINC000330666379 563516708 /nfs/dbraw/zinc/51/67/08/563516708.db2.gz IBWANDUHFMSADO-BETUJISGSA-N 1 0 379.448 2.747 20 0 GFADRO CC(C)NS(=O)(=O)NCC[NH2+][C@H](c1ccc(Cl)c(Cl)c1)C1CC1 ZINC000429458871 563517233 /nfs/dbraw/zinc/51/72/33/563517233.db2.gz XFFZTNWFTQMHAO-HNNXBMFYSA-N 1 0 380.341 2.867 20 0 GFADRO CC[C@](C)([NH3+])c1cn(Cc2nc(-c3cccc(Br)c3)no2)nn1 ZINC000384238765 563517252 /nfs/dbraw/zinc/51/72/52/563517252.db2.gz ZZILBYNETOQHTR-HNNXBMFYSA-N 1 0 377.246 2.723 20 0 GFADRO Cc1[nH]c(=O)c(Br)cc1C(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000285416951 563519349 /nfs/dbraw/zinc/51/93/49/563519349.db2.gz JLQWWMJDTNQKOB-CYBMUJFWSA-N 1 0 382.302 2.949 20 0 GFADRO CCOc1ccc(Br)cc1S(=O)(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000388296710 563520611 /nfs/dbraw/zinc/52/06/11/563520611.db2.gz UKNNBGLSMMSLKF-AAEUAGOBSA-N 1 0 391.331 2.644 20 0 GFADRO CS(=O)(=O)N[C@H]1CCCC[C@@H]1[NH2+]CCOc1ccc(Cl)cc1Cl ZINC000429722806 563521158 /nfs/dbraw/zinc/52/11/58/563521158.db2.gz TVWGGRANIJKYNF-KBPBESRZSA-N 1 0 381.325 2.822 20 0 GFADRO Brc1cnn(CC[NH2+]Cc2c[nH]nc2-c2ccc3c(c2)OCO3)c1 ZINC000285445883 563521510 /nfs/dbraw/zinc/52/15/10/563521510.db2.gz ILOAGILBYOUUTQ-UHFFFAOYSA-N 1 0 390.241 2.554 20 0 GFADRO CCS(=O)(=O)NCC[NH2+][C@@H]1CCN(C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000429766569 563521994 /nfs/dbraw/zinc/52/19/94/563521994.db2.gz CVVGPJXVIKEQPT-SJORKVTESA-N 1 0 391.940 2.532 20 0 GFADRO O[C@H](C[NH2+]CCCn1cc(Br)cn1)COc1ccccc1Cl ZINC000390170938 563523043 /nfs/dbraw/zinc/52/30/43/563523043.db2.gz PXVJKNLWVTXWDW-CYBMUJFWSA-N 1 0 388.693 2.719 20 0 GFADRO O=C(c1cccc(Br)c1F)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000391494816 563525591 /nfs/dbraw/zinc/52/55/91/563525591.db2.gz RMICVNGJRPDHDH-ZDUSSCGKSA-N 1 0 385.277 2.915 20 0 GFADRO C[N@H+]1CC=C(CNS(=O)(=O)c2ccc(Br)cc2Cl)CC1 ZINC000392791680 563527092 /nfs/dbraw/zinc/52/70/92/563527092.db2.gz GNXQSIFPBKKNNC-UHFFFAOYSA-N 1 0 379.707 2.643 20 0 GFADRO C[NH+](C)Cc1ccc(S(=O)(=O)NCc2c(F)cc(F)c(F)c2F)cc1 ZINC000429904662 563528187 /nfs/dbraw/zinc/52/81/87/563528187.db2.gz AUVGLNFVWHIIGT-UHFFFAOYSA-N 1 0 376.375 2.783 20 0 GFADRO C[C@H]([NH2+]C[C@@H]1CCCN(S(C)(=O)=O)C1)c1ccc(Br)cc1F ZINC000285613753 563528500 /nfs/dbraw/zinc/52/85/00/563528500.db2.gz KHYFRRULMKPKJV-RYUDHWBXSA-N 1 0 393.322 2.910 20 0 GFADRO C[C@@H]([NH2+]C[C@H]1CCCN(S(C)(=O)=O)C1)c1ccc(Br)cc1F ZINC000285613759 563528578 /nfs/dbraw/zinc/52/85/78/563528578.db2.gz KHYFRRULMKPKJV-VXGBXAGGSA-N 1 0 393.322 2.910 20 0 GFADRO COCC[C@]1(C(=O)N2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)CC[NH2+]C1 ZINC000430033747 563531404 /nfs/dbraw/zinc/53/14/04/563531404.db2.gz RWJKHRWLJOQQEB-SJLPKXTDSA-N 1 0 387.307 2.910 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CC[NH2+][C@@H]1CCC(=O)NC1(C)C ZINC000430086214 563532756 /nfs/dbraw/zinc/53/27/56/563532756.db2.gz QITZYYCWUAJCOR-CQSZACIVSA-N 1 0 382.302 2.733 20 0 GFADRO C[C@@H](C[N@H+](C)[C@@H]1CCN(S(C)(=O)=O)C1)c1cccc(Br)c1 ZINC000430105833 563533035 /nfs/dbraw/zinc/53/30/35/563533035.db2.gz OLXOAYJIFSHVQB-SWLSCSKDSA-N 1 0 375.332 2.518 20 0 GFADRO O=C(N[C@H]1CC[NH2+]C12CCCC2)c1csc(I)c1 ZINC000401374312 563535151 /nfs/dbraw/zinc/53/51/51/563535151.db2.gz GXJCPPJLGQXOLR-JTQLQIEISA-N 1 0 376.263 2.757 20 0 GFADRO O[C@]1(CC[NH2+]Cc2cc(Br)cc(Br)c2)CCOC1 ZINC000404145684 563536289 /nfs/dbraw/zinc/53/62/89/563536289.db2.gz KWQYLMYPDVXGJZ-CYBMUJFWSA-N 1 0 379.092 2.843 20 0 GFADRO CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@H](CO)Cc1ccc(Br)cc1 ZINC000430155813 563536545 /nfs/dbraw/zinc/53/65/45/563536545.db2.gz CLQXCTJFNQVJCJ-UKRRQHHQSA-N 1 0 385.346 2.883 20 0 GFADRO CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](CO)Cc1ccccc1Br ZINC000430158441 563536712 /nfs/dbraw/zinc/53/67/12/563536712.db2.gz VNDGRCFDRBYFHN-PBHICJAKSA-N 1 0 383.330 2.591 20 0 GFADRO CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H](CO)Cc1cccc(Br)c1 ZINC000430156081 563536742 /nfs/dbraw/zinc/53/67/42/563536742.db2.gz LVSSCHIQHATYDJ-WBVHZDCISA-N 1 0 383.330 2.591 20 0 GFADRO CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](CO)Cc1ccccc1Br ZINC000430158442 563536774 /nfs/dbraw/zinc/53/67/74/563536774.db2.gz VNDGRCFDRBYFHN-RHSMWYFYSA-N 1 0 383.330 2.591 20 0 GFADRO C[C@@H]1CCCN(CCS(=O)(=O)c2ccc(Br)cc2)[C@@H]1CC[NH3+] ZINC000404353452 563537006 /nfs/dbraw/zinc/53/70/06/563537006.db2.gz KJADVHVGWLAKPC-CZUORRHYSA-N 1 0 389.359 2.672 20 0 GFADRO Brc1ccccc1-c1nnc(Cn2cc(C3CC[NH2+]CC3)nn2)o1 ZINC000404655473 563537020 /nfs/dbraw/zinc/53/70/20/563537020.db2.gz NAFOCXOMIUBLSA-UHFFFAOYSA-N 1 0 389.257 2.606 20 0 GFADRO CNS(=O)(=O)CCC[N@@H+]1CCC[C@@H]1c1ccc(Br)c(C)c1 ZINC000430218597 563538901 /nfs/dbraw/zinc/53/89/01/563538901.db2.gz JKMUFZYXKQNGTA-OAHLLOKOSA-N 1 0 375.332 2.834 20 0 GFADRO NC(=O)N1CCC([NH2+]Cc2cc(Cl)ccc2I)CC1 ZINC000405602935 563539545 /nfs/dbraw/zinc/53/95/45/563539545.db2.gz PZYVENTUQQKQES-UHFFFAOYSA-N 1 0 393.656 2.577 20 0 GFADRO CCN(Cc1cc(Br)ccc1F)C(=O)[C@@]1(CCOC)CC[NH2+]C1 ZINC000430274429 563540088 /nfs/dbraw/zinc/54/00/88/563540088.db2.gz DUZANWZCSNYUEY-QGZVFWFLSA-N 1 0 387.293 2.953 20 0 GFADRO CC(C)OCC[NH+]1CCC(NS(=O)(=O)CCc2cccc(Cl)c2)CC1 ZINC000285914510 563541630 /nfs/dbraw/zinc/54/16/30/563541630.db2.gz HPEZLOBUECNSEM-UHFFFAOYSA-N 1 0 388.961 2.691 20 0 GFADRO CC1(C)CCC[NH2+][C@H]1CNS(=O)(=O)Cc1ccc(Br)cc1 ZINC000430360254 563542502 /nfs/dbraw/zinc/54/25/02/563542502.db2.gz XOTFOBXPYAQTBC-AWEZNQCLSA-N 1 0 375.332 2.647 20 0 GFADRO CC[NH+](CC)CCSCC(=O)N[C@@H](C)c1ccc(S(=O)(=O)CC)cc1 ZINC000285949839 563543087 /nfs/dbraw/zinc/54/30/87/563543087.db2.gz GHCLRWMCROXJBI-HNNXBMFYSA-N 1 0 386.583 2.732 20 0 GFADRO CC(C)(C(=O)NC[C@H]1CCCC[N@@H+]1CCO)c1cccc(Br)c1 ZINC000331300167 563544273 /nfs/dbraw/zinc/54/42/73/563544273.db2.gz DTDBFCHMIWHDIQ-MRXNPFEDSA-N 1 0 383.330 2.690 20 0 GFADRO Cc1cc(C[NH2+][C@H]2CCO[C@]3(CCS(=O)(=O)C3)C2)sc1Br ZINC000408119785 563545508 /nfs/dbraw/zinc/54/55/08/563545508.db2.gz OVWPIXRLSUMROW-SMDDNHRTSA-N 1 0 394.356 2.645 20 0 GFADRO C[C@H]1CCCN(Cc2nc(Cc3cccc(Br)c3)no2)[C@H]1C[NH3+] ZINC000430594580 563546037 /nfs/dbraw/zinc/54/60/37/563546037.db2.gz GNNDEPSGCGQWCW-WFASDCNBSA-N 1 0 379.302 2.982 20 0 GFADRO COc1cc(Cl)c(S(=O)(=O)NCC[N@@H+]2CCCC[C@H]2C)cc1OC ZINC000331341461 563546675 /nfs/dbraw/zinc/54/66/75/563546675.db2.gz XVGGSMIPYUXRSB-GFCCVEGCSA-N 1 0 376.906 2.510 20 0 GFADRO CS(=O)(=O)CCOCC[NH2+][C@H](c1cccc(OC(F)(F)F)c1)C1CC1 ZINC000286054471 563547027 /nfs/dbraw/zinc/54/70/27/563547027.db2.gz KHEKRHDVJOVAIR-HNNXBMFYSA-N 1 0 381.416 2.687 20 0 GFADRO CC(C)(C(N)=O)N1CC[NH+](CC/C=C\c2ccc(Br)cc2)CC1 ZINC000430695065 563547368 /nfs/dbraw/zinc/54/73/68/563547368.db2.gz MIEWRGDHWXAFNO-HYXAFXHYSA-N 1 0 380.330 2.734 20 0 GFADRO C[C@H]([NH2+]CCC1CCOCC1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430711068 563548189 /nfs/dbraw/zinc/54/81/89/563548189.db2.gz VJACMDDTSVMBEQ-NSHDSACASA-N 1 0 391.331 2.564 20 0 GFADRO COc1ccc(S(=O)(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)c(Cl)c1Cl ZINC000408235074 563548628 /nfs/dbraw/zinc/54/86/28/563548628.db2.gz BOHACIAIJGYTDS-QWRGUYRKSA-N 1 0 379.309 2.907 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CCCN(CC(=O)Nc2c(F)cc(F)cc2Br)C1 ZINC000430962185 563550815 /nfs/dbraw/zinc/55/08/15/563550815.db2.gz GJCFNVXXCIOSST-NXEZZACHSA-N 1 0 376.245 2.725 20 0 GFADRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NS(=O)(=O)c1ccc(OC(F)F)c(Cl)c1 ZINC000331491863 563551252 /nfs/dbraw/zinc/55/12/52/563551252.db2.gz KRXFKMYNRHYFDE-NOZJJQNGSA-N 1 0 380.844 2.702 20 0 GFADRO Cc1cc(F)c(Br)cc1NC(=O)N1CC[N@@H+](C[C@H](C)O)C[C@H]1C ZINC000286161908 563551265 /nfs/dbraw/zinc/55/12/65/563551265.db2.gz LWGIKIBOYQYTJN-NEPJUHHUSA-N 1 0 388.281 2.815 20 0 GFADRO CN(Cc1cc(Br)cs1)C(=O)C[NH2+][C@@H]1CCC[C@@H]1CCO ZINC000286185892 563551649 /nfs/dbraw/zinc/55/16/49/563551649.db2.gz PMMJQNONXBRXDK-BXUZGUMPSA-N 1 0 375.332 2.610 20 0 GFADRO Cc1cc(NC(=O)[C@H](C)N2C[C@@H](C)O[C@]3(CCOC3)C2)ccc1Br ZINC000408350133 563551789 /nfs/dbraw/zinc/55/17/89/563551789.db2.gz YCVYYHFQTHLGRU-QWQRMKEZSA-N 1 0 397.313 2.964 20 0 GFADRO C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)Nc1nnc(-c2c(F)cccc2Cl)s1 ZINC000408342334 563551853 /nfs/dbraw/zinc/55/18/53/563551853.db2.gz KBBMJWUEJVMAMB-VHSXEESVSA-N 1 0 383.880 3.554 20 0 GFADRO C[C@@H](c1ccccc1Cl)N1CC[NH+](C[C@@H](O)COCC(F)(F)F)CC1 ZINC000431093658 563553802 /nfs/dbraw/zinc/55/38/02/563553802.db2.gz MMPYOULSQYUWJO-UONOGXRCSA-N 1 0 380.838 2.958 20 0 GFADRO COCCC(=O)N1CCC([NH2+]Cc2ccc(OC)cc2Br)CC1 ZINC000286335931 563557130 /nfs/dbraw/zinc/55/71/30/563557130.db2.gz DYCYRQHTUOGHDN-UHFFFAOYSA-N 1 0 385.302 2.575 20 0 GFADRO CNC(=O)CC[C@@H]1CCCCN1CC(=O)Nc1ccccc1Br ZINC000286418606 563559836 /nfs/dbraw/zinc/55/98/36/563559836.db2.gz KIWLFPOWQLNTLE-ZDUSSCGKSA-N 1 0 382.302 2.768 20 0 GFADRO C[C@@H]1C[C@@H](N(C)C(=O)C(=O)NCCc2cc(Cl)cc(Cl)c2)CC[N@@H+]1C ZINC000286429721 563560220 /nfs/dbraw/zinc/56/02/20/563560220.db2.gz HBGAXVABODMUKD-WBMJQRKESA-N 1 0 386.323 2.593 20 0 GFADRO O=C(Nc1cc(Cl)ccc1Cl)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000331780066 563561960 /nfs/dbraw/zinc/56/19/60/563561960.db2.gz HKEIRYICSDQPJI-GFCCVEGCSA-N 1 0 385.295 2.669 20 0 GFADRO C[C@@H]1[C@H](c2ccc(Br)cc2)OCCN1C(=O)NC1CC[NH2+]CC1 ZINC000331835865 563564289 /nfs/dbraw/zinc/56/42/89/563564289.db2.gz KBHRALXUCLHOEW-MLGOLLRUSA-N 1 0 382.302 2.673 20 0 GFADRO CC[N@@H+]1CCN(CC(=O)Nc2c(Cl)cc(Cl)cc2C(=O)OC)[C@@H](C)C1 ZINC000286582570 563566473 /nfs/dbraw/zinc/56/64/73/563566473.db2.gz QGFDBMLSVYILJC-NSHDSACASA-N 1 0 388.295 2.745 20 0 GFADRO C[C@@H]1CCN(S(=O)(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)C1 ZINC000331944895 563568346 /nfs/dbraw/zinc/56/83/46/563568346.db2.gz PZGVWMOCFHXKJO-OAHLLOKOSA-N 1 0 385.961 2.728 20 0 GFADRO Cc1cc([C@@H](C)[NH2+]C[C@@H]2CCN(S(C)(=O)=O)C2)sc1Br ZINC000286645381 563568448 /nfs/dbraw/zinc/56/84/48/563568448.db2.gz TXSZKLPGWKWCJG-MNOVXSKESA-N 1 0 381.361 2.751 20 0 GFADRO CC1CC[NH+](C[C@H](O)CNC(=O)Cc2csc(-c3cccs3)n2)CC1 ZINC000409714994 563569301 /nfs/dbraw/zinc/56/93/01/563569301.db2.gz YHHYPYDNPDCKMM-OAHLLOKOSA-N 1 0 379.551 2.623 20 0 GFADRO C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)CC[C@H]1[NH3+] ZINC000331984811 563569624 /nfs/dbraw/zinc/56/96/24/563569624.db2.gz YEUQLEFDBYXTNR-LYRGGWFBSA-N 1 0 384.307 2.853 20 0 GFADRO CC[NH+](CC)CCCNC(=O)C(=O)Nc1c(C)cc(C)cc1Br ZINC000431871733 563570699 /nfs/dbraw/zinc/57/06/99/563570699.db2.gz XDLKKQJHVFYOMH-UHFFFAOYSA-N 1 0 384.318 2.853 20 0 GFADRO COCC[NH+](CCOC)C1CCN(C(=O)c2cc(Cl)c(Cl)n2C)CC1 ZINC000286753923 563573279 /nfs/dbraw/zinc/57/32/79/563573279.db2.gz RUWRQGAQZKONDS-UHFFFAOYSA-N 1 0 392.327 2.531 20 0 GFADRO C[C@@H]1[NH2+]CCC[C@H]1C(=O)N1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000332098166 563576153 /nfs/dbraw/zinc/57/61/53/563576153.db2.gz CWSNSVGFLVDLSY-BLLLJJGKSA-N 1 0 384.307 2.666 20 0 GFADRO C[C@H]1[NH2+]CCC[C@@H]1C(=O)N1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000332098175 563576450 /nfs/dbraw/zinc/57/64/50/563576450.db2.gz CWSNSVGFLVDLSY-WBMJQRKESA-N 1 0 384.307 2.666 20 0 GFADRO O=C(Nc1ccc(F)c(Br)c1)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000332133599 563578400 /nfs/dbraw/zinc/57/84/00/563578400.db2.gz FKGLDQSERMYWNL-ZDUSSCGKSA-N 1 0 398.276 2.614 20 0 GFADRO C[C@@H]1C[N@H+](CCCNS(=O)(=O)Cc2ccc(Cl)cc2Cl)CCCO1 ZINC000432323228 563580292 /nfs/dbraw/zinc/58/02/92/563580292.db2.gz CAJRRSVZGISQHX-CYBMUJFWSA-N 1 0 395.352 2.914 20 0 GFADRO Cc1nc2sccn2c(=O)c1CC[NH2+][C@H](CCO)c1ccc(Cl)cc1 ZINC000286947642 563580924 /nfs/dbraw/zinc/58/09/24/563580924.db2.gz MKABQUYDLVPLHR-MRXNPFEDSA-N 1 0 377.897 2.974 20 0 GFADRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1CC(=O)N(C)Cc1ccccc1Br ZINC000287039278 563584855 /nfs/dbraw/zinc/58/48/55/563584855.db2.gz SUADKTCMTRICTQ-QAPCUYQASA-N 1 0 394.357 2.966 20 0 GFADRO C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)c1cc(=O)[nH]c2c(Br)cccc12 ZINC000332226917 563585279 /nfs/dbraw/zinc/58/52/79/563585279.db2.gz OJALDDHCEHNZRF-QWRGUYRKSA-N 1 0 378.270 2.868 20 0 GFADRO C[N@H+](CC(=O)N[C@H]1CCOc2c(Br)cccc21)[C@@H]1CCSC1 ZINC000410270661 563586030 /nfs/dbraw/zinc/58/60/30/563586030.db2.gz GVNXSRYIRSXLSS-RISCZKNCSA-N 1 0 385.327 2.826 20 0 GFADRO CC[NH+](CC)C[C@@H](C)NS(=O)(=O)Cc1cc(OC)ccc1Br ZINC000410391731 563589130 /nfs/dbraw/zinc/58/91/30/563589130.db2.gz WIVULBXTSDVFRH-GFCCVEGCSA-N 1 0 393.347 2.607 20 0 GFADRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)C1(c2cncc(Br)c2)CC1 ZINC000287173747 563590485 /nfs/dbraw/zinc/59/04/85/563590485.db2.gz OHTYQILJHYMPEX-XJKSGUPXSA-N 1 0 378.314 2.961 20 0 GFADRO C[C@@H](Cn1cc(Br)cn1)[NH2+]CCCn1cc(Br)cn1 ZINC000287397759 563600056 /nfs/dbraw/zinc/60/00/56/563600056.db2.gz QPJFAUJGYXOLAB-JTQLQIEISA-N 1 0 391.111 2.673 20 0 GFADRO OCC[N@H+](C[C@@H](O)COc1cccc(C(F)(F)F)c1)[C@H]1CCCSC1 ZINC000433183650 563605499 /nfs/dbraw/zinc/60/54/99/563605499.db2.gz UOUZMLKHMOKJCF-LSDHHAIUSA-N 1 0 379.444 2.635 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)Nc2ccc3nccnc3c2Br)C1 ZINC000332583148 563605591 /nfs/dbraw/zinc/60/55/91/563605591.db2.gz GQDGXMAUKQXNOO-WDEREUQCSA-N 1 0 378.274 2.983 20 0 GFADRO COCC[N@H+](CC(=O)NCCOc1cccc(Cl)c1)[C@H]1CCCSC1 ZINC000433188281 563605914 /nfs/dbraw/zinc/60/59/14/563605914.db2.gz CCVDGCJPFUQYLS-INIZCTEOSA-N 1 0 386.945 2.679 20 0 GFADRO C[C@H]([NH2+]C[C@H]1CCOC[C@H]1C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000287551507 563607227 /nfs/dbraw/zinc/60/72/27/563607227.db2.gz PTHGVJFDZSWCLZ-OUAUKWLOSA-N 1 0 381.325 2.964 20 0 GFADRO CC1(C)NC(=O)N(CC[N@@H+]2CC[C@H](Cc3ccc(Br)cc3)C2)C1=O ZINC000433297807 563609136 /nfs/dbraw/zinc/60/91/36/563609136.db2.gz MJJXENAWPPUTOV-CQSZACIVSA-N 1 0 394.313 2.644 20 0 GFADRO C[C@@H]1CN(C(=O)Nc2nnc(-c3cccc(Br)c3)s2)[C@@H](C)C[NH2+]1 ZINC000332676320 563610980 /nfs/dbraw/zinc/61/09/80/563610980.db2.gz QOHYYIOKENPNJS-ZJUUUORDSA-N 1 0 396.314 3.182 20 0 GFADRO CSc1cc(NC(=O)C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)ccc1Cl ZINC000411250954 563612138 /nfs/dbraw/zinc/61/21/38/563612138.db2.gz GWQLMFRVXPHUBD-CYBMUJFWSA-N 1 0 381.929 2.945 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)N[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000332716879 563613282 /nfs/dbraw/zinc/61/32/82/563613282.db2.gz ZLSQIBJHZZSVEJ-QRTARXTBSA-N 1 0 395.345 2.939 20 0 GFADRO CC[NH+](CC)CCNS(=O)(=O)c1cc(Br)sc1Cl ZINC000433624857 563616878 /nfs/dbraw/zinc/61/68/78/563616878.db2.gz IZEPOVMVURUCCU-UHFFFAOYSA-N 1 0 375.741 2.784 20 0 GFADRO CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)Nc2nnc(-c3ccsc3)s2)CC1 ZINC000333078282 563619546 /nfs/dbraw/zinc/61/95/46/563619546.db2.gz AGHIJLIAVHQNIV-CYBMUJFWSA-N 1 0 377.539 3.509 20 0 GFADRO Cc1ncc(Br)cc1NC(=O)N1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000333100284 563620811 /nfs/dbraw/zinc/62/08/11/563620811.db2.gz AQWDHXBKPPOEQN-GOEBONIOSA-N 1 0 397.317 2.903 20 0 GFADRO COc1cc(NC(=O)N2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)ccc1Br ZINC000333113723 563620866 /nfs/dbraw/zinc/62/08/66/563620866.db2.gz FMYAXPKRFPFAPT-ZBFHGGJFSA-N 1 0 398.301 2.818 20 0 GFADRO COCCC[N@H+](C)CCNS(=O)(=O)c1cc2cc(Cl)ccc2s1 ZINC000433838952 563621024 /nfs/dbraw/zinc/62/10/24/563621024.db2.gz NEXFRVLESXZAMU-UHFFFAOYSA-N 1 0 376.931 2.801 20 0 GFADRO O=C(CCN1CCOC[C@@H]1[C@@H]1CCCO1)Nc1ccccc1Br ZINC000333128454 563621287 /nfs/dbraw/zinc/62/12/87/563621287.db2.gz JGLMKZRGQWMQCP-CVEARBPZSA-N 1 0 383.286 2.658 20 0 GFADRO [NH3+][C@H]1CCCO[C@@H]1C1CCN(C(=O)Nc2nc(C(F)(F)F)cs2)CC1 ZINC000333139370 563622069 /nfs/dbraw/zinc/62/20/69/563622069.db2.gz KRQLJYNODNYOKB-CMPLNLGQSA-N 1 0 378.420 2.912 20 0 GFADRO C[C@@H](c1cccc(S(N)(=O)=O)c1)[N@H+](C)C[C@H](O)Cc1cccc(Cl)c1 ZINC000287906032 563622272 /nfs/dbraw/zinc/62/22/72/563622272.db2.gz VEMMNNHXMXQYEQ-SUMWQHHRSA-N 1 0 382.913 2.584 20 0 GFADRO C[NH+](C)[C@@]1(CNC(=O)N(CCCO)Cc2cccc(Cl)c2)CCSC1 ZINC000434030053 563624710 /nfs/dbraw/zinc/62/47/10/563624710.db2.gz FYCPRAGOOJDYAO-GOSISDBHSA-N 1 0 385.961 2.671 20 0 GFADRO O=C(Nc1nnc(-c2ccc(Cl)cc2F)s1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000333267007 563626095 /nfs/dbraw/zinc/62/60/95/563626095.db2.gz FOMZLJKNDLKTFM-RNCFNFMXSA-N 1 0 381.864 3.213 20 0 GFADRO COc1cc(Br)ccc1C(=O)N1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000333264780 563626141 /nfs/dbraw/zinc/62/61/41/563626141.db2.gz JIORPJPXXOUTFF-GDBMZVCRSA-N 1 0 397.313 2.816 20 0 GFADRO [NH3+][C@H]1CCO[C@@H](C2CCN(C(=O)c3cc(F)ccc3Br)CC2)C1 ZINC000333272413 563626750 /nfs/dbraw/zinc/62/67/50/563626750.db2.gz KTSHBPJUYVHNNB-XJKSGUPXSA-N 1 0 385.277 2.947 20 0 GFADRO CSc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@@H]([C@H](O)C(F)(F)F)C2)cc1 ZINC000411634883 563627088 /nfs/dbraw/zinc/62/70/88/563627088.db2.gz MGYIHTQOZWOADF-IOASZLSFSA-N 1 0 379.444 2.783 20 0 GFADRO C[C@@H]1CN(C(=O)Nc2ccc(-c3ccc(Br)s3)nn2)[C@H](C)C[NH2+]1 ZINC000333306875 563627499 /nfs/dbraw/zinc/62/74/99/563627499.db2.gz LBZDRFRMHFDVJT-NXEZZACHSA-N 1 0 396.314 3.182 20 0 GFADRO CS[C@H]1CN(S(=O)(=O)c2c[nH]c3cccc(F)c32)C[C@H]1[NH+]1CCCC1 ZINC000333318938 563627912 /nfs/dbraw/zinc/62/79/12/563627912.db2.gz KUPIQDMMNWLKSZ-CABCVRRESA-N 1 0 383.514 2.507 20 0 GFADRO COc1cc(OC)c(NC(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1Br ZINC000333364102 563629441 /nfs/dbraw/zinc/62/94/41/563629441.db2.gz TZVIQXRXCKRJNZ-WDEREUQCSA-N 1 0 384.274 2.540 20 0 GFADRO Cc1cc(Br)cc(NC(=O)C(=O)NCC[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000411678458 563629695 /nfs/dbraw/zinc/62/96/95/563629695.db2.gz VBEPWPRPMNFCFT-ZDUSSCGKSA-N 1 0 382.302 2.544 20 0 GFADRO C[C@H]1C[C@]1([NH2+]CCC(=O)NC(=O)NCC(F)(F)F)c1ccc(Cl)cc1 ZINC000411695513 563630192 /nfs/dbraw/zinc/63/01/92/563630192.db2.gz SZAPYLBAQKFCGV-ZUZCIYMTSA-N 1 0 377.794 2.943 20 0 GFADRO O=C([C@@H]1C[N@@H+]2CCN1CCC2)N1CC2(CCC2)c2cc(Br)ccc21 ZINC000434387459 563630629 /nfs/dbraw/zinc/63/06/29/563630629.db2.gz UQVOKQHFZCZLGX-KRWDZBQOSA-N 1 0 390.325 2.607 20 0 GFADRO C[C@@H](NC(=O)C(=O)N(C)CC1CC[NH+](C)CC1)c1cccc(Cl)c1Cl ZINC000288145994 563630934 /nfs/dbraw/zinc/63/09/34/563630934.db2.gz LBZQHOQEJUPNAF-GFCCVEGCSA-N 1 0 386.323 2.971 20 0 GFADRO Cc1cccc(NC(=O)C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)c1Br ZINC000434557596 563632351 /nfs/dbraw/zinc/63/23/51/563632351.db2.gz RUQCIFQEDGHHOC-CQSZACIVSA-N 1 0 394.313 2.829 20 0 GFADRO CCOCC[C@@H](O)C[NH+]1CCN([C@H](C)c2ccc(Br)cc2)CC1 ZINC000434635096 563633199 /nfs/dbraw/zinc/63/31/99/563633199.db2.gz VOUMLOSZYIMZJG-CRAIPNDOSA-N 1 0 385.346 2.915 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H]2CN(c3ncc(Cn4cc(Br)cn4)s3)C[C@H]21 ZINC000333493104 563633860 /nfs/dbraw/zinc/63/38/60/563633860.db2.gz GXCWKZYIOCFGRU-LERXQTSPSA-N 1 0 382.331 2.714 20 0 GFADRO [NH3+][C@@H]1CCC[C@H]2CN(c3ncc(Cn4cc(Br)cn4)s3)C[C@@H]21 ZINC000333493106 563634074 /nfs/dbraw/zinc/63/40/74/563634074.db2.gz GXCWKZYIOCFGRU-LEWSCRJBSA-N 1 0 382.331 2.714 20 0 GFADRO C[C@@H]1Cc2cc(-c3csc(C4CC[NH2+]CC4)n3)ccc2N1S(C)(=O)=O ZINC000434658415 563634662 /nfs/dbraw/zinc/63/46/62/563634662.db2.gz DEVMMVOMTRKQFD-GFCCVEGCSA-N 1 0 377.535 2.988 20 0 GFADRO Cc1cc(C(=O)N2CC[NH2+][C@@H](C)[C@H]2C)nn1-c1ccc(Br)cc1 ZINC000434702043 563635256 /nfs/dbraw/zinc/63/52/56/563635256.db2.gz IZGBMQMIRFFQBY-QWHCGFSZSA-N 1 0 377.286 2.766 20 0 GFADRO C[C@@H]1CN(CC[N@H+](C)C[C@H](O)COc2ccc(Cl)cc2Cl)C[C@H](C)O1 ZINC000434699986 563635631 /nfs/dbraw/zinc/63/56/31/563635631.db2.gz PUXCTCLOJDCQQK-LZWOXQAQSA-N 1 0 391.339 2.774 20 0 GFADRO CN(C)c1cc(NC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)ncc1Br ZINC000333650182 563638010 /nfs/dbraw/zinc/63/80/10/563638010.db2.gz KGBYMRJVCYBBDH-TZMCWYRMSA-N 1 0 396.333 2.858 20 0 GFADRO [NH3+][C@H]1CCO[C@H](C2CCN(S(=O)(=O)c3csc4ccccc43)CC2)C1 ZINC000333669197 563638698 /nfs/dbraw/zinc/63/86/98/563638698.db2.gz MVGQMQAJRQRBNR-HOCLYGCPSA-N 1 0 380.535 2.808 20 0 GFADRO [NH3+][C@H]1CCCO[C@@H]1C1CCN(C(=O)NCc2cccc(Br)c2)CC1 ZINC000333730069 563640566 /nfs/dbraw/zinc/64/05/66/563640566.db2.gz HQRIZCBZEBHAEB-DLBZAZTESA-N 1 0 396.329 2.877 20 0 GFADRO C[C@@H]1CC[N@H+](C)CCN1C(=O)c1cc(I)c(F)cc1F ZINC000435004031 563641067 /nfs/dbraw/zinc/64/10/67/563641067.db2.gz HRTGHGWRQDGEAY-SECBINFHSA-N 1 0 394.203 2.736 20 0 GFADRO COC(=O)[C@@H]1CN(Cc2ccc(Br)c3cccnc23)CC[N@H+](C)C1 ZINC000411922560 563641287 /nfs/dbraw/zinc/64/12/87/563641287.db2.gz UXTLAZPPMIHGGO-AWEZNQCLSA-N 1 0 392.297 2.534 20 0 GFADRO CC1CC[NH+](C2CCC(NC(=O)c3ccc(S(C)(=O)=O)s3)CC2)CC1 ZINC000333768154 563641693 /nfs/dbraw/zinc/64/16/93/563641693.db2.gz QSAKYRIAMULTHH-UHFFFAOYSA-N 1 0 384.567 2.925 20 0 GFADRO O=C(Nc1cc(Br)ccc1-n1cccn1)N1CCC2(CC[NH2+]2)CC1 ZINC000333791479 563641919 /nfs/dbraw/zinc/64/19/19/563641919.db2.gz GHCFXVUZFHSOIH-UHFFFAOYSA-N 1 0 390.285 2.995 20 0 GFADRO C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl)[N@@H+]1CC[C@H](C(=O)N(C)C)C1 ZINC000411954363 563642234 /nfs/dbraw/zinc/64/22/34/563642234.db2.gz ZNAYOCXPNXUHQJ-XQQFMLRXSA-N 1 0 386.323 2.969 20 0 GFADRO O=C(N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)N[C@H]1CCCC[NH2+]C1 ZINC000333853829 563643920 /nfs/dbraw/zinc/64/39/20/563643920.db2.gz XVLAOPVXMOMKLB-NHYWBVRUSA-N 1 0 385.295 2.540 20 0 GFADRO CC(C)(CN1CCOCC1)[NH2+]CC[S@](=O)c1cc(Cl)ccc1Cl ZINC000412005817 563644049 /nfs/dbraw/zinc/64/40/49/563644049.db2.gz VEAASSYDYMZKOC-QHCPKHFHSA-N 1 0 379.353 2.801 20 0 GFADRO C[C@]1(CNC(=O)N2CCOc3ccc(Br)cc3C2)CCC[NH2+]C1 ZINC000333876001 563644368 /nfs/dbraw/zinc/64/43/68/563644368.db2.gz VHQNYCGNGVSOIT-KRWDZBQOSA-N 1 0 382.302 2.743 20 0 GFADRO COc1ccc([C@H](C)NC(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1Br ZINC000333882472 563644390 /nfs/dbraw/zinc/64/43/90/563644390.db2.gz DXGLQCQBGQDDCF-FPMFFAJLSA-N 1 0 382.302 2.770 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]1C1CCN(C(=O)NCc2sccc2Br)CC1 ZINC000333941531 563646580 /nfs/dbraw/zinc/64/65/80/563646580.db2.gz PBZIMHDNANNCQW-OCCSQVGLSA-N 1 0 388.331 2.548 20 0 GFADRO COC(=O)[C@@H]1CSCC[N@H+](C[C@@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000412062844 563646631 /nfs/dbraw/zinc/64/66/31/563646631.db2.gz BSRUAMLEWMTDMT-WCQYABFASA-N 1 0 394.320 2.571 20 0 GFADRO O=C(c1cc(I)ccc1Cl)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000435250185 563646651 /nfs/dbraw/zinc/64/66/51/563646651.db2.gz XNVRTLQBBJOZRY-LLVKDONJSA-N 1 0 390.652 2.911 20 0 GFADRO O=C(c1nn(-c2ccc(F)cc2)cc1Br)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000435241566 563646759 /nfs/dbraw/zinc/64/67/59/563646759.db2.gz GWAXGKVUMMHKGC-AWEZNQCLSA-N 1 0 393.260 2.740 20 0 GFADRO C[C@@H](NC(=O)[C@@H]1C[C@H]1c1ccc(Cl)s1)C(=O)NCC[NH+]1CCCCC1 ZINC000412315771 563653511 /nfs/dbraw/zinc/65/35/11/563653511.db2.gz CAVIQPHTPIQJBZ-MGPQQGTHSA-N 1 0 383.945 2.612 20 0 GFADRO C[C@@H](NC(=O)Cc1cccc(Cl)c1Cl)C(=O)NCC[NH+]1CCCCC1 ZINC000412321565 563653728 /nfs/dbraw/zinc/65/37/28/563653728.db2.gz NMHAORBTFNAIFQ-CYBMUJFWSA-N 1 0 386.323 2.643 20 0 GFADRO CNc1cc(I)ccc1C(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000412366636 563655200 /nfs/dbraw/zinc/65/52/00/563655200.db2.gz SFKUCUYSVFFQAZ-MRXNPFEDSA-N 1 0 399.276 2.501 20 0 GFADRO COC(=O)c1ccc(S(=O)(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)s1 ZINC000435626245 563655805 /nfs/dbraw/zinc/65/58/05/563655805.db2.gz IVJFQXPHMOAFJY-CQSZACIVSA-N 1 0 386.539 2.610 20 0 GFADRO CN(C(=O)CCNC(=O)Nc1ccc(Br)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000435746259 563657519 /nfs/dbraw/zinc/65/75/19/563657519.db2.gz VRAANDLLCNQDIF-OAHLLOKOSA-N 1 0 397.317 2.561 20 0 GFADRO CC(C)Cc1ncc(C[NH2+]CCN(C)S(=O)(=O)c2ccc(F)cc2)s1 ZINC000435743226 563657566 /nfs/dbraw/zinc/65/75/66/563657566.db2.gz ZRFMQPRVUQQULO-UHFFFAOYSA-N 1 0 385.530 2.891 20 0 GFADRO CCS(=O)(=O)c1cc(Cl)cc(CNC(=O)c2c[nH+]ccc2N(C)C)c1 ZINC000412482815 563659592 /nfs/dbraw/zinc/65/95/92/563659592.db2.gz AZWDEJOXTYEQRS-UHFFFAOYSA-N 1 0 381.885 2.525 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)[C@@H]1CCC[NH2+][C@@H]1C ZINC000288858650 563659714 /nfs/dbraw/zinc/65/97/14/563659714.db2.gz XMRAQXOSOKDGEU-TZMCWYRMSA-N 1 0 382.302 2.590 20 0 GFADRO COC(=O)CC[C@H]([NH3+])C(=O)Nc1nc(C)c(Cc2ccccc2Cl)s1 ZINC000288869634 563660604 /nfs/dbraw/zinc/66/06/04/563660604.db2.gz YJZQFYHGAKCHCA-ZDUSSCGKSA-N 1 0 381.885 2.915 20 0 GFADRO CC[NH+]1CCN(CC(=O)N2CCC[C@@H]2c2ccc(Br)c(F)c2)CC1 ZINC000435961483 563661519 /nfs/dbraw/zinc/66/15/19/563661519.db2.gz CCFLGCYCMBIOPQ-QGZVFWFLSA-N 1 0 398.320 2.889 20 0 GFADRO Cc1cc([C@H]2CCCN2C(=O)[C@H]2C[N@@H+]3CCN2CCC3)ccc1Br ZINC000435971187 563661565 /nfs/dbraw/zinc/66/15/65/563661565.db2.gz YDBYVDXXDCSZLL-QZTJIDSGSA-N 1 0 392.341 2.811 20 0 GFADRO C[N@@H+](CCC(=O)N1CCc2sccc2C1)CCn1cc(Br)cn1 ZINC000288937472 563662913 /nfs/dbraw/zinc/66/29/13/563662913.db2.gz WOIPDUZAWYSZOT-UHFFFAOYSA-N 1 0 397.342 2.614 20 0 GFADRO C[N@@H+]1CC[C@@H](c2nc(-c3n[nH]c(-c4cccc(Br)c4)n3)no2)C1 ZINC000349709751 563664051 /nfs/dbraw/zinc/66/40/51/563664051.db2.gz FWHNNHLYZKVEFR-SNVBAGLBSA-N 1 0 375.230 2.703 20 0 GFADRO Cc1nc2c(s1)[C@H]([NH2+]CCN(C)S(=O)(=O)c1ccc(F)cc1)CCC2 ZINC000436282574 563668481 /nfs/dbraw/zinc/66/84/81/563668481.db2.gz HHXYMSIMWJWKBX-OAHLLOKOSA-N 1 0 383.514 2.878 20 0 GFADRO C[C@@H](Oc1ccc(F)cc1Br)C(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000289147054 563669625 /nfs/dbraw/zinc/66/96/25/563669625.db2.gz GAYWDCNIZVAJMO-SJKOYZFVSA-N 1 0 385.277 2.958 20 0 GFADRO C[C@H](Oc1ccc(F)cc1Br)C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000289147052 563669913 /nfs/dbraw/zinc/66/99/13/563669913.db2.gz GAYWDCNIZVAJMO-SJCJKPOMSA-N 1 0 385.277 2.958 20 0 GFADRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)Nc1cnc2c(Br)cccn12 ZINC000436498331 563672951 /nfs/dbraw/zinc/67/29/51/563672951.db2.gz OQHWXKJHBRKTHB-LBPRGKRZSA-N 1 0 380.290 2.902 20 0 GFADRO Brc1ccn2cc(C[NH2+]C3CCN(c4cccnn4)CC3)nc2c1 ZINC000289447236 563674354 /nfs/dbraw/zinc/67/43/54/563674354.db2.gz GQPKLCIWFJSVBN-UHFFFAOYSA-N 1 0 387.285 2.645 20 0 GFADRO CCC[N@H+](C)CC(=O)NC1CCN(Cc2cccc(Br)c2)CC1 ZINC000412977487 563678088 /nfs/dbraw/zinc/67/80/88/563678088.db2.gz XLRVEOXCRUXCEW-UHFFFAOYSA-N 1 0 382.346 2.872 20 0 GFADRO CN1CC[N@H+](C)C[C@@H]1CNCc1cc(C(F)(F)F)ccc1Br ZINC000289586607 563679302 /nfs/dbraw/zinc/67/93/02/563679302.db2.gz TVGHYTGGPZOVPH-ZDUSSCGKSA-N 1 0 380.252 2.803 20 0 GFADRO COC(=O)CC[C@H]([NH3+])C(=O)Nc1nc(-c2ccccc2)c(Br)s1 ZINC000289643741 563682193 /nfs/dbraw/zinc/68/21/93/563682193.db2.gz CAYHMPBTSBIPPD-JTQLQIEISA-N 1 0 398.282 2.792 20 0 GFADRO Cc1[nH+]cc2n1CC[C@@H](c1nc([C@H](C)n3cc(Br)cn3)no1)C2 ZINC000351394461 563688377 /nfs/dbraw/zinc/68/83/77/563688377.db2.gz UDAQXAFNWGQPTK-GXSJLCMTSA-N 1 0 377.246 2.873 20 0 GFADRO CS(=O)(=O)CCC[NH2+]Cc1cc(Br)cc(Br)c1 ZINC000289842820 563688827 /nfs/dbraw/zinc/68/88/27/563688827.db2.gz UTKCYRLCUQWLRV-UHFFFAOYSA-N 1 0 385.121 2.736 20 0 GFADRO Cc1cnc(NC(=O)[C@@H]2CSCN2C(=O)[C@@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)s1 ZINC000413335175 563689210 /nfs/dbraw/zinc/68/92/10/563689210.db2.gz IPGIVRQUZNADKN-WVWOOGAGSA-N 1 0 382.555 2.553 20 0 GFADRO CN(C)C1(C[NH2+][C@H]2CCS(=O)(=O)c3ccc(Br)cc32)CCC1 ZINC000437108388 563689423 /nfs/dbraw/zinc/68/94/23/563689423.db2.gz FCLGZHVPJGPBHO-AWEZNQCLSA-N 1 0 387.343 2.742 20 0 GFADRO COc1cc(CNC(=O)[C@H]2CC[NH2+][C@H]2C(C)C)cc(Br)c1OC ZINC000289862588 563689572 /nfs/dbraw/zinc/68/95/72/563689572.db2.gz GOUYJBQWYUJACI-WFASDCNBSA-N 1 0 385.302 2.717 20 0 GFADRO COc1cc(Cl)c(C[NH2+]C[C@@H]2CCC[C@@]23NC(=O)N(C)C3=O)cc1Cl ZINC000359979986 563690277 /nfs/dbraw/zinc/69/02/77/563690277.db2.gz WFEWOXOZCYWSMN-APPDUMDISA-N 1 0 386.279 2.812 20 0 GFADRO Cc1[nH]cc(C(=O)N2CCC[C@@H]([NH+]3CCCCC3)C2)c(=O)c1Br ZINC000359892341 563690476 /nfs/dbraw/zinc/69/04/76/563690476.db2.gz BGCAEQANRWLRPO-CYBMUJFWSA-N 1 0 382.302 2.536 20 0 GFADRO COc1cc(C[NH2+][C@H](C)[C@@H](C)OC)cc(I)c1OC ZINC000289904981 563690714 /nfs/dbraw/zinc/69/07/14/563690714.db2.gz UKYWRJYXIFDRJT-NXEZZACHSA-N 1 0 379.238 2.821 20 0 GFADRO CN(C)c1nc2sc(C(=O)Nc3nc4c(s3)C[C@@H]([NH3+])CC4)cc2s1 ZINC000289905759 563690866 /nfs/dbraw/zinc/69/08/66/563690866.db2.gz NEIOEDRBEVTMJI-ZETCQYMHSA-N 1 0 379.536 2.949 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)[C@@H]1CC[NH2+][C@H]1C(C)C ZINC000289949698 563692075 /nfs/dbraw/zinc/69/20/75/563692075.db2.gz MCQKGOIOTXFBOM-PBHICJAKSA-N 1 0 396.329 2.836 20 0 GFADRO COCCc1ccc(S(=O)(=O)N(CC[NH+](C)C)Cc2cccs2)cc1 ZINC000437336849 563693900 /nfs/dbraw/zinc/69/39/00/563693900.db2.gz LREHNGWDEYXMPL-UHFFFAOYSA-N 1 0 382.551 2.690 20 0 GFADRO O=C(Nc1cccc(Br)c1)N1CCC[C@@H]1C[N@H+]1CCC[C@@H]1CO ZINC000360890013 563695239 /nfs/dbraw/zinc/69/52/39/563695239.db2.gz QAJWBSFXXWPRSG-HZPDHXFCSA-N 1 0 382.302 2.902 20 0 GFADRO O=C(CN1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1)Nc1ccccc1Br ZINC000360973333 563695824 /nfs/dbraw/zinc/69/58/24/563695824.db2.gz SZKIQIRIZHKTSD-CPUCHLNUSA-N 1 0 378.314 2.804 20 0 GFADRO C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000361051699 563696069 /nfs/dbraw/zinc/69/60/69/563696069.db2.gz ZDXPHSWVKDVTOI-LBPRGKRZSA-N 1 0 384.307 2.714 20 0 GFADRO CN(C)CC[N@H+](C)CCCN(C)C(=O)Cc1csc(-c2cccs2)n1 ZINC000290124281 563698707 /nfs/dbraw/zinc/69/87/07/563698707.db2.gz MLXFCVSQSYPQQH-UHFFFAOYSA-N 1 0 380.583 2.756 20 0 GFADRO O=C(c1ccc(I)cc1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000290119590 563698877 /nfs/dbraw/zinc/69/88/77/563698877.db2.gz KZNZZINECANOOB-AWEZNQCLSA-N 1 0 384.261 2.753 20 0 GFADRO CC(C)S(=O)(=O)CC[NH2+][C@@H](C)CC(=O)Nc1cccc(Br)c1 ZINC000290238797 563702703 /nfs/dbraw/zinc/70/27/03/563702703.db2.gz JBVBEQWJGNRKCR-LBPRGKRZSA-N 1 0 391.331 2.579 20 0 GFADRO C[C@@H](O)C[NH+]1CCN(Cc2cccc(Br)c2OC(F)F)CC1 ZINC000438263329 563703135 /nfs/dbraw/zinc/70/31/35/563703135.db2.gz VMPWNPIBANLSPA-LLVKDONJSA-N 1 0 379.245 2.549 20 0 GFADRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1Cc1cc(Br)cc2c1OCC2 ZINC000438271456 563703313 /nfs/dbraw/zinc/70/33/13/563703313.db2.gz YLICELUHLVKTFZ-CYBMUJFWSA-N 1 0 383.330 2.661 20 0 GFADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)C[C@H]3Sc4ccc(Cl)cc4NC3=O)C[C@H]21 ZINC000362283747 563705250 /nfs/dbraw/zinc/70/52/50/563705250.db2.gz LVWICSMMPZTVSU-DJSGYFEHSA-N 1 0 379.913 2.696 20 0 GFADRO CC(=O)N[C@@H](CC(=O)N(CC[NH+](C)C)Cc1cccs1)c1cccs1 ZINC000438465328 563705844 /nfs/dbraw/zinc/70/58/44/563705844.db2.gz AYHZLUQKMDWGOR-INIZCTEOSA-N 1 0 379.551 2.967 20 0 GFADRO CC(=O)N[C@H](CC(=O)N(CC[NH+](C)C)Cc1cccs1)c1cccs1 ZINC000438465329 563705959 /nfs/dbraw/zinc/70/59/59/563705959.db2.gz AYHZLUQKMDWGOR-MRXNPFEDSA-N 1 0 379.551 2.967 20 0 GFADRO C[NH+](C)CCN(Cc1cccs1)C(=O)c1ccc2c(c1)SCC(=O)N2 ZINC000290342493 563706066 /nfs/dbraw/zinc/70/60/66/563706066.db2.gz INARJZLPESKSJX-UHFFFAOYSA-N 1 0 375.519 2.996 20 0 GFADRO Cc1ccc(C(=O)N2CC[C@H]3CC[N@@H+](C)[C@H]3C2)cc1I ZINC000362471881 563706872 /nfs/dbraw/zinc/70/68/72/563706872.db2.gz INBDPLZCQQFRNK-DOMZBBRYSA-N 1 0 384.261 2.766 20 0 GFADRO CC[N@@H+]1CC[C@@H](NC(=O)N(CCOC)Cc2ccc(Br)s2)C1 ZINC000413860628 563708281 /nfs/dbraw/zinc/70/82/81/563708281.db2.gz OXKXRSRMJNOBKJ-GFCCVEGCSA-N 1 0 390.347 2.763 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2C(=O)c1ccc(Br)c(F)c1 ZINC000362796810 563709372 /nfs/dbraw/zinc/70/93/72/563709372.db2.gz KKKIOIXACGSZBZ-KCXAZCMYSA-N 1 0 385.277 2.912 20 0 GFADRO C[NH+](C)CCN1CCCN(C(=O)[C@@H]2C[C@H]2c2ccc(Br)cc2)CC1 ZINC000362833856 563709421 /nfs/dbraw/zinc/70/94/21/563709421.db2.gz HOBIGUXKXFEWNU-ZWKOTPCHSA-N 1 0 394.357 2.649 20 0 GFADRO C[N@H+](Cc1cnc(-c2ccc(Cl)cc2)[nH]1)C1CCN(S(C)(=O)=O)CC1 ZINC000362821893 563709464 /nfs/dbraw/zinc/70/94/64/563709464.db2.gz AZZVLSJIQPHUPK-UHFFFAOYSA-N 1 0 382.917 2.586 20 0 GFADRO C[NH+](C)CCOc1ccc(NC(=O)c2c[nH]c(=O)c(Br)c2)c(F)c1 ZINC000413896137 563709868 /nfs/dbraw/zinc/70/98/68/563709868.db2.gz BJSUFBZMHLPNBH-UHFFFAOYSA-N 1 0 398.232 2.882 20 0 GFADRO C[NH+](C)C1(CNC(=O)N2CCO[C@H](c3ccc(Cl)s3)C2)CCOCC1 ZINC000362898898 563710145 /nfs/dbraw/zinc/71/01/45/563710145.db2.gz POBIFRCFQNZFBZ-ZDUSSCGKSA-N 1 0 387.933 2.595 20 0 GFADRO CC[N@@H+](Cc1cnn(C)c1)C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000438831830 563711738 /nfs/dbraw/zinc/71/17/38/563711738.db2.gz AWXYBXBAHAIAJP-HNNXBMFYSA-N 1 0 386.265 2.584 20 0 GFADRO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]Cc1ccnc(N2CCCC2)c1 ZINC000438832049 563711803 /nfs/dbraw/zinc/71/18/03/563711803.db2.gz SUMAVRSZANEROY-AWEZNQCLSA-N 1 0 391.313 2.784 20 0 GFADRO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]CCOc1ccc(F)cc1F ZINC000438843082 563712331 /nfs/dbraw/zinc/71/23/31/563712331.db2.gz QKMFVHVLGWDVMS-NSHDSACASA-N 1 0 387.224 2.946 20 0 GFADRO CS(=O)(=O)Nc1ccc(OCC[NH2+]Cc2ccnc(Cl)c2Cl)cc1 ZINC000290551046 563713481 /nfs/dbraw/zinc/71/34/81/563713481.db2.gz AXAPHBPIVKUAFZ-UHFFFAOYSA-N 1 0 390.292 2.929 20 0 GFADRO C[C@@H]([NH2+]C[C@@](O)(c1nccn1C)C(F)(F)F)c1ccc(Br)nc1 ZINC000290569202 563714084 /nfs/dbraw/zinc/71/40/84/563714084.db2.gz FBUNRVSXBFGYEF-NOZJJQNGSA-N 1 0 393.207 2.678 20 0 GFADRO C[NH+]1CCC([C@@H]2CCN(C(=O)c3c(Cl)cccc3S(C)(=O)=O)C2)CC1 ZINC000438950418 563714099 /nfs/dbraw/zinc/71/40/99/563714099.db2.gz HPLBFWFPRNYBME-CQSZACIVSA-N 1 0 384.929 2.547 20 0 GFADRO O=C(NC[C@]1(N2CCOCC2)CCSC1)[C@@H]1C[C@H]1c1cccc(Cl)c1 ZINC000363136961 563714835 /nfs/dbraw/zinc/71/48/35/563714835.db2.gz QFIOLMNKAPRGGI-YQVWRLOYSA-N 1 0 380.941 2.768 20 0 GFADRO C[C@H](c1ncc(Br)cn1)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000438996884 563715272 /nfs/dbraw/zinc/71/52/72/563715272.db2.gz FWCYPVJAKMSPKG-CQSZACIVSA-N 1 0 383.334 2.877 20 0 GFADRO COc1ccc(OC)c(C[NH2+][C@@H](C)Cn2cc(Br)ccc2=O)c1 ZINC000414053387 563716597 /nfs/dbraw/zinc/71/65/97/563716597.db2.gz AUWBBFAWPLTGQG-LBPRGKRZSA-N 1 0 381.270 2.806 20 0 GFADRO COc1ccc(Br)cc1NC(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000363221312 563717326 /nfs/dbraw/zinc/71/73/26/563717326.db2.gz PHTXTNOSNHEVCR-LSDHHAIUSA-N 1 0 398.301 2.521 20 0 GFADRO C[C@H](C(=O)Nc1nc2ccccc2s1)N1CC[NH+]([C@H]2CCSC2)CC1 ZINC000363363671 563720326 /nfs/dbraw/zinc/72/03/26/563720326.db2.gz CCXPQWHTQOVAND-KGLIPLIRSA-N 1 0 376.551 2.746 20 0 GFADRO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@H]1Cc2ccccc2N(C)C1 ZINC000414138641 563720365 /nfs/dbraw/zinc/72/03/65/563720365.db2.gz PWFUWEIGMYJIBC-LSDHHAIUSA-N 1 0 390.325 2.898 20 0 GFADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@H]1Cc2ccccc2N(C)C1 ZINC000414138637 563720369 /nfs/dbraw/zinc/72/03/69/563720369.db2.gz PWFUWEIGMYJIBC-HUUCEWRRSA-N 1 0 390.325 2.898 20 0 GFADRO O=C(NC[C@H]1CCC[N@H+](Cc2cccnc2)C1)c1ccc(Br)cn1 ZINC000363399543 563720947 /nfs/dbraw/zinc/72/09/47/563720947.db2.gz ZUIOKASCNJLDTK-OAHLLOKOSA-N 1 0 389.297 2.881 20 0 GFADRO C[C@H]([NH2+]C[C@@H](CO)Cc1cc(F)cc(Br)c1)c1ccc(=O)[nH]n1 ZINC000414190560 563722016 /nfs/dbraw/zinc/72/20/16/563722016.db2.gz RIIIKSKKYWOORW-JQWIXIFHSA-N 1 0 384.249 2.586 20 0 GFADRO C[C@@H]([NH2+]C[C@H](N1CCOCC1)C(F)(F)F)c1ccc(Br)nc1 ZINC000290834167 563723304 /nfs/dbraw/zinc/72/33/04/563723304.db2.gz XZOXGNZHZCBLPH-PWSUYJOCSA-N 1 0 382.224 2.758 20 0 GFADRO C[C@@H](CNC(=O)C1CCN(C(=O)c2ccc(Cl)s2)CC1)[N@H+](C)C1CC1 ZINC000363463501 563723541 /nfs/dbraw/zinc/72/35/41/563723541.db2.gz PPZSOCGAABGETR-LBPRGKRZSA-N 1 0 383.945 2.853 20 0 GFADRO O[C@H](COc1cc(F)cc(Br)c1)C[N@@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000439431078 563723620 /nfs/dbraw/zinc/72/36/20/563723620.db2.gz LHQRBRGGXIIJAE-WFASDCNBSA-N 1 0 398.276 2.931 20 0 GFADRO C[C@]1(CCCO)CCC[N@@H+]1C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000439434928 563724928 /nfs/dbraw/zinc/72/49/28/563724928.db2.gz FXEADTZJHUYQCC-DOTOQJQBSA-N 1 0 390.293 2.955 20 0 GFADRO C[N@H+](C[C@H](O)COc1cc(F)cc(Br)c1)[C@@H](CO)C(C)(C)C ZINC000439444226 563725573 /nfs/dbraw/zinc/72/55/73/563725573.db2.gz BCOHRCSTXXZGLM-ZFWWWQNUSA-N 1 0 378.282 2.667 20 0 GFADRO C[C@H]([NH2+][C@H]1CCC[C@@H](CO)C1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000414329569 563727036 /nfs/dbraw/zinc/72/70/36/563727036.db2.gz DKAOLXBYHNRWRV-AXFHLTTASA-N 1 0 381.325 2.843 20 0 GFADRO CC[NH+](CC)CCSCC(=O)N1CCC(NC(=O)c2cccs2)CC1 ZINC000363584014 563727731 /nfs/dbraw/zinc/72/77/31/563727731.db2.gz QGYSUPOZXMXPIK-UHFFFAOYSA-N 1 0 383.583 2.544 20 0 GFADRO COc1ccc(CC[NH2+]Cc2ccc(S(C)(=O)=O)s2)c(OC)c1OC ZINC000414337195 563727886 /nfs/dbraw/zinc/72/78/86/563727886.db2.gz IQMFBJUEMLXPDY-UHFFFAOYSA-N 1 0 385.507 2.510 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+]C[C@H]2CCc3ccccc32)cc1Br ZINC000414352782 563728285 /nfs/dbraw/zinc/72/82/85/563728285.db2.gz UROSEJFEAXOLCR-CQSZACIVSA-N 1 0 395.322 2.916 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC3)C2)cc1Br ZINC000439599303 563728992 /nfs/dbraw/zinc/72/89/92/563728992.db2.gz UJOURCISDIYBQM-CQSZACIVSA-N 1 0 394.313 2.700 20 0 GFADRO NC(=O)c1cn(CCCC[NH2+][C@@H]2CCCc3cc(Br)ccc32)nn1 ZINC000414352955 563729522 /nfs/dbraw/zinc/72/95/22/563729522.db2.gz QTUQZAJPVOSKFY-OAHLLOKOSA-N 1 0 392.301 2.587 20 0 GFADRO Cc1ccc(C[N@@H+]2CCC[C@H](C(=O)Nc3ccc(Br)cn3)C2)nn1 ZINC000414367353 563730153 /nfs/dbraw/zinc/73/01/53/563730153.db2.gz DKUUSLVKFWZLNR-ZDUSSCGKSA-N 1 0 390.285 2.793 20 0 GFADRO C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@H]1NC(=O)Nc1ccc(Br)nc1 ZINC000363759724 563732484 /nfs/dbraw/zinc/73/24/84/563732484.db2.gz XALAYWVPGIUSQJ-BPLDGKMQSA-N 1 0 397.317 2.855 20 0 GFADRO CN(CCn1cc(Br)cn1)C(=O)NCCCCCCC[NH+](C)C ZINC000291166416 563733575 /nfs/dbraw/zinc/73/35/75/563733575.db2.gz GGNYRCPFEUCWDM-UHFFFAOYSA-N 1 0 388.354 2.799 20 0 GFADRO Cn1c(Cl)c(Cl)cc1C(=O)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000363822065 563734074 /nfs/dbraw/zinc/73/40/74/563734074.db2.gz JJVXZGLIGVALMG-UHFFFAOYSA-N 1 0 387.355 2.822 20 0 GFADRO C[C@@H]([NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1)c1csc(-c2ccccc2F)n1 ZINC000291266474 563736822 /nfs/dbraw/zinc/73/68/22/563736822.db2.gz QJITURNPARBRDQ-OLZOCXBDSA-N 1 0 383.514 2.881 20 0 GFADRO Cc1occc1C[NH2+]CCCNS(=O)(=O)c1ccccc1Br ZINC000414434700 563737464 /nfs/dbraw/zinc/73/74/64/563737464.db2.gz DKDHJJVKIFJEDF-UHFFFAOYSA-N 1 0 387.299 2.809 20 0 GFADRO Cc1cc(C[NH2+][C@@H]2CCO[C@]3(CCS(=O)(=O)C3)C2)ccc1C(F)(F)F ZINC000414438669 563737489 /nfs/dbraw/zinc/73/74/89/563737489.db2.gz VYJBCQKSQNLEMV-GDBMZVCRSA-N 1 0 377.428 2.840 20 0 GFADRO C[N@@H+]1CCC[C@H](CNS(=O)(=O)[C@H]2CCCOC2)[C@H]1c1cccc(Cl)c1 ZINC000363973462 563738285 /nfs/dbraw/zinc/73/82/85/563738285.db2.gz OVZCNOGERYUYNJ-BPQIPLTHSA-N 1 0 386.945 2.821 20 0 GFADRO CSc1ccc(S(=O)(=O)N2CC[C@@H](OCC[NH+]3CCCCC3)C2)cc1 ZINC000414457209 563739760 /nfs/dbraw/zinc/73/97/60/563739760.db2.gz FYWMMNMWLXLVHB-MRXNPFEDSA-N 1 0 384.567 2.674 20 0 GFADRO Cc1c(S(=O)(=O)N2CCC([C@@H](C)[NH3+])CC2)cnn1-c1ccc(Cl)cc1 ZINC000440353325 563739828 /nfs/dbraw/zinc/73/98/28/563739828.db2.gz IPZLCKWKLTXVIT-GFCCVEGCSA-N 1 0 382.917 2.582 20 0 GFADRO COCCCN(C(=O)c1cc(Br)ccc1O)C1CC[NH+](C)CC1 ZINC000291364835 563740250 /nfs/dbraw/zinc/74/02/50/563740250.db2.gz CBSBLKDUYXPRFC-UHFFFAOYSA-N 1 0 385.302 2.728 20 0 GFADRO CCCN([C@H]1CC[NH2+]C1)S(=O)(=O)c1cnn(-c2ccc(Cl)cc2)c1C ZINC000440355686 563740261 /nfs/dbraw/zinc/74/02/61/563740261.db2.gz HQBOKFVIXFWSBC-INIZCTEOSA-N 1 0 382.917 2.597 20 0 GFADRO C[C@@H]([NH3+])C1CCN(S(=O)(=O)c2cc(Br)sc2Cl)CC1 ZINC000440359153 563740296 /nfs/dbraw/zinc/74/02/96/563740296.db2.gz UZXDFIJPNYLZPB-SSDOTTSWSA-N 1 0 387.752 2.912 20 0 GFADRO COc1nc(N[C@@H]2CC[N@H+](C[C@@H]3CCCO3)C[C@@H]2C)ncc1Br ZINC000364042289 563740867 /nfs/dbraw/zinc/74/08/67/563740867.db2.gz PAQNLSIBIVEYJZ-SGMGOOAPSA-N 1 0 385.306 2.549 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1ncc(C(F)(F)F)s1)c1cccs1 ZINC000291373847 563741103 /nfs/dbraw/zinc/74/11/03/563741103.db2.gz RWIPXQRKBRSEHZ-QMMMGPOBSA-N 1 0 392.428 2.581 20 0 GFADRO Cc1ccc(Cl)c(S(=O)(=O)N2CC[C@@H](OCC[NH+]3CCCCC3)C2)c1 ZINC000414465718 563741875 /nfs/dbraw/zinc/74/18/75/563741875.db2.gz SMVOLUXFTGEBDY-MRXNPFEDSA-N 1 0 386.945 2.914 20 0 GFADRO CCCC[C@@H](C[NH3+])NS(=O)(=O)c1cc(Br)sc1Cl ZINC000440425091 563742199 /nfs/dbraw/zinc/74/21/99/563742199.db2.gz UPEDWRDQBAQHOL-ZETCQYMHSA-N 1 0 375.741 2.960 20 0 GFADRO O=C(NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1sccc1Br ZINC000440507667 563743890 /nfs/dbraw/zinc/74/38/90/563743890.db2.gz CTNXAGJAETZNRL-KRWDZBQOSA-N 1 0 395.322 2.877 20 0 GFADRO O=C(NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1sccc1Br ZINC000440507669 563743978 /nfs/dbraw/zinc/74/39/78/563743978.db2.gz CTNXAGJAETZNRL-QGZVFWFLSA-N 1 0 395.322 2.877 20 0 GFADRO COc1cc(Br)c(C[NH2+]CCC(C)(C)S(C)(=O)=O)cc1OC ZINC000414510416 563745003 /nfs/dbraw/zinc/74/50/03/563745003.db2.gz DYTADHPMCREZBA-UHFFFAOYSA-N 1 0 394.331 2.769 20 0 GFADRO COc1cc(Br)c(C[NH2+]CCC(C)(C)S(C)(=O)=O)c(OC)c1 ZINC000414506031 563745072 /nfs/dbraw/zinc/74/50/72/563745072.db2.gz BQAIYBSFKWMBIZ-UHFFFAOYSA-N 1 0 394.331 2.769 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C[N@H+]1CC[C@H](C(=O)N(C)C)C1 ZINC000414502763 563745264 /nfs/dbraw/zinc/74/52/64/563745264.db2.gz UZTNOIAETDMTSL-AWEZNQCLSA-N 1 0 391.313 2.853 20 0 GFADRO Cc1cc(Br)c(F)cc1NC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000364195390 563745317 /nfs/dbraw/zinc/74/53/17/563745317.db2.gz AUJMEOMPWWOIID-NEPJUHHUSA-N 1 0 398.276 2.578 20 0 GFADRO CNC(=O)NC1CC[NH+](Cc2cnn(-c3ccc(Br)cc3)c2)CC1 ZINC000414544726 563745855 /nfs/dbraw/zinc/74/58/55/563745855.db2.gz PRWLKEUPZVCFSP-UHFFFAOYSA-N 1 0 392.301 2.528 20 0 GFADRO CC[NH+](CC)[C@H](CNC(=O)N1CCC(F)(F)[C@@H](CO)C1)c1ccsc1 ZINC000291591623 563748700 /nfs/dbraw/zinc/74/87/00/563748700.db2.gz ZOVHOXHTTNWAGH-HUUCEWRRSA-N 1 0 375.485 2.790 20 0 GFADRO O=S(=O)(c1cc(Cl)ccc1OCCC1CC1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000440739139 563748776 /nfs/dbraw/zinc/74/87/76/563748776.db2.gz ALECSRFUHWAVTN-GOSISDBHSA-N 1 0 384.929 2.893 20 0 GFADRO CC(C)[C@@H]([NH3+])CNS(=O)(=O)c1cc(C(F)(F)F)ccc1Br ZINC000440737867 563748786 /nfs/dbraw/zinc/74/87/86/563748786.db2.gz SRJDCNSWPDSPCI-JTQLQIEISA-N 1 0 389.237 2.730 20 0 GFADRO C[C@@H](CC(=O)NC[C@](C)(O)C[NH+](C)C)c1ccc(F)c(Br)c1 ZINC000291599346 563749270 /nfs/dbraw/zinc/74/92/70/563749270.db2.gz BTIMMLFDVLYOFH-ZBEGNZNMSA-N 1 0 375.282 2.511 20 0 GFADRO COCCCOc1ccc(Cl)cc1S(=O)(=O)N(C)CC[C@H]([NH3+])C(C)C ZINC000440754942 563749571 /nfs/dbraw/zinc/74/95/71/563749571.db2.gz ORDDDNDDJDCNDB-HNNXBMFYSA-N 1 0 392.949 2.749 20 0 GFADRO Cc1cc(I)ccc1NC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000414679505 563749886 /nfs/dbraw/zinc/74/98/86/563749886.db2.gz LMWRDESLWYELGM-BETUJISGSA-N 1 0 385.249 2.958 20 0 GFADRO Cc1cc(I)ccc1NC(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000414675162 563750126 /nfs/dbraw/zinc/75/01/26/563750126.db2.gz FJUZRRSKBBQKSH-RYUDHWBXSA-N 1 0 385.249 2.673 20 0 GFADRO Cc1cc(I)ccc1NC(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000414681034 563750323 /nfs/dbraw/zinc/75/03/23/563750323.db2.gz NZGOCSZVTHPNJS-NEPJUHHUSA-N 1 0 385.249 2.673 20 0 GFADRO C[NH2+]CCC1CCN(S(=O)(=O)c2cccc(Br)c2C)CC1 ZINC000440830394 563751111 /nfs/dbraw/zinc/75/11/11/563751111.db2.gz GWAKQFFBQPTMNQ-UHFFFAOYSA-N 1 0 375.332 2.768 20 0 GFADRO C[C@@H](CO)[N@@H+]1CCCN(C(=O)Nc2cc(Br)c(F)cc2F)CC1 ZINC000364379900 563751377 /nfs/dbraw/zinc/75/13/77/563751377.db2.gz GQOPMFPFHQYDQK-JTQLQIEISA-N 1 0 392.244 2.648 20 0 GFADRO C[C@@H]1CN(S(=O)(=O)c2cc(Br)c(Cl)cc2Cl)C[C@@H]1[NH3+] ZINC000440843117 563751899 /nfs/dbraw/zinc/75/18/99/563751899.db2.gz GHDHPOWEPSDWEW-LDWIPMOCSA-N 1 0 388.114 2.724 20 0 GFADRO CC(C)C[C@@H]([NH3+])CN1CCC(C(=O)Nc2ccc(Br)cn2)CC1 ZINC000414750750 563752001 /nfs/dbraw/zinc/75/20/01/563752001.db2.gz RQDNJXALIGSCLN-OAHLLOKOSA-N 1 0 383.334 2.868 20 0 GFADRO CO[C@H]1CCN(S(=O)(=O)c2c(C)sc3ccc(Cl)cc32)[C@@H](C[NH3+])C1 ZINC000440855506 563752529 /nfs/dbraw/zinc/75/25/29/563752529.db2.gz NYUQYWDCIMBPEI-OLZOCXBDSA-N 1 0 388.942 2.990 20 0 GFADRO O=C(NC[C@@H]1CCC[NH2+]1)Nc1ccc(I)cc1Cl ZINC000414789099 563752642 /nfs/dbraw/zinc/75/26/42/563752642.db2.gz DZEPPSMBLVKJCF-VIFPVBQESA-N 1 0 379.629 2.818 20 0 GFADRO COc1cc(Br)c(CNCCC[NH2+]Cc2cccnc2)cc1O ZINC000414889573 563753598 /nfs/dbraw/zinc/75/35/98/563753598.db2.gz YLSOKMFTFMTZKA-UHFFFAOYSA-N 1 0 380.286 2.828 20 0 GFADRO C[N@@H+]1CCN(CCNC(=O)NCCc2ccc(Cl)cc2Cl)CC1(C)C ZINC000440986991 563753946 /nfs/dbraw/zinc/75/39/46/563753946.db2.gz QXTRLIXWTYURRN-UHFFFAOYSA-N 1 0 387.355 2.861 20 0 GFADRO C[N@@H+]1CCN(CCNC(=O)NCCSc2ccc(Cl)cc2)CC1(C)C ZINC000440987081 563753992 /nfs/dbraw/zinc/75/39/92/563753992.db2.gz RDARPSGCRUPJPO-UHFFFAOYSA-N 1 0 384.977 2.757 20 0 GFADRO CS(=O)(=O)[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 ZINC000364469215 563754437 /nfs/dbraw/zinc/75/44/37/563754437.db2.gz TURDTLGLHKKTGR-RRQGHBQHSA-N 1 0 384.929 2.638 20 0 GFADRO COC[C@]1(CN[C@H](C)CC(=O)Nc2cccc(Br)c2)CCC[NH2+]1 ZINC000414939007 563754482 /nfs/dbraw/zinc/75/44/82/563754482.db2.gz FXOOJTILWLMGOU-CXAGYDPISA-N 1 0 384.318 2.524 20 0 GFADRO COC[C@]1(CN[C@H](C)CC(=O)Nc2ccc(Br)cc2)CCC[NH2+]1 ZINC000414939655 563754648 /nfs/dbraw/zinc/75/46/48/563754648.db2.gz GSAKEIOCVSVYKK-CXAGYDPISA-N 1 0 384.318 2.524 20 0 GFADRO C[NH2+][C@H]1CCCN(C(=O)Nc2cc(Br)ccc2N2CCOCC2)C1 ZINC000414925251 563754657 /nfs/dbraw/zinc/75/46/57/563754657.db2.gz IFMMXOGVOALQQJ-AWEZNQCLSA-N 1 0 397.317 2.501 20 0 GFADRO CS(=O)(=O)[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 ZINC000364469214 563754721 /nfs/dbraw/zinc/75/47/21/563754721.db2.gz TURDTLGLHKKTGR-KBRIMQKVSA-N 1 0 384.929 2.638 20 0 GFADRO COc1cc(Br)c(NC(=O)N2CC[C@]3(CC[NH2+]C3)C2)cc1OC ZINC000414984497 563756435 /nfs/dbraw/zinc/75/64/35/563756435.db2.gz AOZJHLHRYPYRRY-INIZCTEOSA-N 1 0 384.274 2.684 20 0 GFADRO CSc1ccc(Cl)cc1NC(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000415025589 563756795 /nfs/dbraw/zinc/75/67/95/563756795.db2.gz QLNWUOOODBSWJQ-ZDUSSCGKSA-N 1 0 384.933 2.913 20 0 GFADRO COCc1cccc(C[NH2+]CCNS(=O)(=O)c2ccc(Cl)cc2F)c1 ZINC000441325412 563757349 /nfs/dbraw/zinc/75/73/49/563757349.db2.gz CBHRJJWJQQXXPQ-UHFFFAOYSA-N 1 0 386.876 2.694 20 0 GFADRO O=C(Nc1ccnn1Cc1cccc(Br)c1)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000364559381 563757518 /nfs/dbraw/zinc/75/75/18/563757518.db2.gz GQWJTHHJMWVEFW-YOEHRIQHSA-N 1 0 375.270 2.632 20 0 GFADRO C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1NC(=O)Cc1ccc(Br)cc1 ZINC000364552965 563757532 /nfs/dbraw/zinc/75/75/32/563757532.db2.gz ALDTWSPYKDHSFJ-JLSDUUJJSA-N 1 0 395.341 2.997 20 0 GFADRO C[C@@H]([NH2+]CCNS(=O)(=O)c1ccc(Cl)cc1F)c1cncc(F)c1 ZINC000441344270 563757757 /nfs/dbraw/zinc/75/77/57/563757757.db2.gz DHNVTLKESRWZCW-SNVBAGLBSA-N 1 0 375.828 2.642 20 0 GFADRO [NH3+]C1CCN(C(=O)Nc2cc(F)c(I)c(F)c2)CC1 ZINC000415066288 563757775 /nfs/dbraw/zinc/75/77/75/563757775.db2.gz AHMNPVJLTFAMQZ-UHFFFAOYSA-N 1 0 381.164 2.524 20 0 GFADRO [NH3+]CC[C@H](NCc1cc(Br)c2c(c1)OCCCO2)C(F)(F)F ZINC000415058962 563758048 /nfs/dbraw/zinc/75/80/48/563758048.db2.gz SMYUYCHAVZBUMH-LBPRGKRZSA-N 1 0 383.208 2.980 20 0 GFADRO O=S(=O)(NCC[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1)c1ccc(F)cc1F ZINC000441338111 563758425 /nfs/dbraw/zinc/75/84/25/563758425.db2.gz RZSXWLVSVRJYPZ-CMPLNLGQSA-N 1 0 386.386 2.954 20 0 GFADRO COc1ccc(I)c(NC(=O)N2CCC(C[NH3+])CC2)c1 ZINC000415078931 563758917 /nfs/dbraw/zinc/75/89/17/563758917.db2.gz WJWKLVMWCKVCEU-UHFFFAOYSA-N 1 0 389.237 2.502 20 0 GFADRO CC(C)Cc1ncc(C[NH2+]CCNS(=O)(=O)c2ccc(F)cc2F)s1 ZINC000441358639 563758991 /nfs/dbraw/zinc/75/89/91/563758991.db2.gz PPMLJFMLKJEVBS-UHFFFAOYSA-N 1 0 389.493 2.688 20 0 GFADRO C[C@H]1CCN(Cc2ccc(Br)cc2N2CCOCC2)C[C@H]1C[NH3+] ZINC000415118790 563759695 /nfs/dbraw/zinc/75/96/95/563759695.db2.gz DZRXDXOTXVWFKE-GOEBONIOSA-N 1 0 382.346 2.702 20 0 GFADRO CC(C)C[NH+]1CCC(NC(=O)c2nc(C3CC3)ncc2Br)CC1 ZINC000291818965 563760390 /nfs/dbraw/zinc/76/03/90/563760390.db2.gz RYBZYCHNBLVPAC-UHFFFAOYSA-N 1 0 381.318 2.967 20 0 GFADRO C[NH2+]C[C@H](C)CNC(=O)Nc1cc(F)c(I)c(F)c1 ZINC000415129447 563760408 /nfs/dbraw/zinc/76/04/08/563760408.db2.gz YWJSEEPYNPHFMK-ZETCQYMHSA-N 1 0 383.180 2.546 20 0 GFADRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)Nc1cc(Br)ccc1-n1cccn1 ZINC000415159338 563761360 /nfs/dbraw/zinc/76/13/60/563761360.db2.gz JPVGUVMHEITHKF-YPMHNXCESA-N 1 0 378.274 2.754 20 0 GFADRO O=C(Nc1ncc(Cc2cccc(Br)c2)s1)N[C@H]1CC[NH2+]C1 ZINC000415229290 563763123 /nfs/dbraw/zinc/76/31/23/563763123.db2.gz NWCPUDGRMKGALG-LBPRGKRZSA-N 1 0 381.299 2.980 20 0 GFADRO C[C@H](C[NH3+])CNC(=O)c1ccc(NC(=O)c2ccc(Br)o2)cc1 ZINC000441627553 563763201 /nfs/dbraw/zinc/76/32/01/563763201.db2.gz VCNJOBQAGLDOAJ-SNVBAGLBSA-N 1 0 380.242 2.619 20 0 GFADRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)Nc1c(F)cc(Br)cc1F ZINC000441809908 563764329 /nfs/dbraw/zinc/76/43/29/563764329.db2.gz UDVUIMNGGZYJCA-SECBINFHSA-N 1 0 392.244 2.512 20 0 GFADRO [NH3+][C@@H]1CCCN(C(=O)Nc2cc(I)ccc2Cl)C1 ZINC000415268196 563764974 /nfs/dbraw/zinc/76/49/74/563764974.db2.gz NLJAZVHGCLQZFY-SECBINFHSA-N 1 0 379.629 2.900 20 0 GFADRO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(Br)cc2C(C)C)C1 ZINC000415286530 563765481 /nfs/dbraw/zinc/76/54/81/563765481.db2.gz UFIBUCHMNPTFOD-ZDUSSCGKSA-N 1 0 396.329 2.969 20 0 GFADRO Cc1c(Br)ccc(NC(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1F ZINC000364824728 563765509 /nfs/dbraw/zinc/76/55/09/563765509.db2.gz UZXXFVMYHQTJOR-NWDGAFQWSA-N 1 0 398.276 2.578 20 0 GFADRO C[C@@H]1CN(C(=O)Nc2ccc(Cl)cc2I)CC[NH2+]1 ZINC000415279924 563765636 /nfs/dbraw/zinc/76/56/36/563765636.db2.gz FJGJWXVBHYNXTC-MRVPVSSYSA-N 1 0 379.629 2.770 20 0 GFADRO O=C1C[C@]2(CC[N@@H+](Cc3ncc(-c4ccc(Br)cc4)o3)C2)CN1 ZINC000364836851 563765730 /nfs/dbraw/zinc/76/57/30/563765730.db2.gz CYTBWSSULVDSLL-QGZVFWFLSA-N 1 0 376.254 2.816 20 0 GFADRO CCOc1cc(Br)ccc1NC(=O)N1CC[C@H](OC)C[C@@H]1C[NH3+] ZINC000415295841 563766109 /nfs/dbraw/zinc/76/61/09/563766109.db2.gz IFTOVDDYQMYFTP-OLZOCXBDSA-N 1 0 386.290 2.818 20 0 GFADRO Brc1ccc(C[NH2+]C[C@H]2CN(C3CC3)CCO2)c2ncccc12 ZINC000364867926 563766174 /nfs/dbraw/zinc/76/61/74/563766174.db2.gz CAAWOKOQTPXNRZ-HNNXBMFYSA-N 1 0 376.298 2.950 20 0 GFADRO COC(=O)c1ccc(S(=O)(=O)NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)cc1Cl ZINC000441967431 563766223 /nfs/dbraw/zinc/76/62/23/563766223.db2.gz GLSHXTPLIZEQRE-OLZOCXBDSA-N 1 0 388.917 2.525 20 0 GFADRO COC(=O)c1ccc(S(=O)(=O)NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)cc1Cl ZINC000441967430 563766474 /nfs/dbraw/zinc/76/64/74/563766474.db2.gz GLSHXTPLIZEQRE-CHWSQXEVSA-N 1 0 388.917 2.525 20 0 GFADRO O=C(NCCCN1CC[NH2+]CC1)Nc1ccc(Br)c(Cl)c1 ZINC000415319031 563766705 /nfs/dbraw/zinc/76/67/05/563766705.db2.gz HZEJSTHWNNWVKY-UHFFFAOYSA-N 1 0 375.698 2.519 20 0 GFADRO COC(=O)c1cc(Br)ccc1NC(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000415327307 563767461 /nfs/dbraw/zinc/76/74/61/563767461.db2.gz IFBJFEOYXURIOU-GDLCADMTSA-N 1 0 396.285 2.827 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000442161984 563768388 /nfs/dbraw/zinc/76/83/88/563768388.db2.gz SVMGPFYSVOPZTJ-TZMCWYRMSA-N 1 0 382.302 2.603 20 0 GFADRO CCOc1c(Cl)cc(NC(=O)C(=O)N[C@H](C)[C@@H]2CCC[NH2+]C2)cc1Cl ZINC000415345929 563768701 /nfs/dbraw/zinc/76/87/01/563768701.db2.gz GVEVPZLKWISPCC-GHMZBOCLSA-N 1 0 388.295 2.835 20 0 GFADRO CCOC(=O)c1cc(Br)ccc1NC(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000415349792 563768809 /nfs/dbraw/zinc/76/88/09/563768809.db2.gz MEWGXQZIGMXPMG-RYUDHWBXSA-N 1 0 396.285 2.699 20 0 GFADRO C[C@H](CO)[N@@H+]1CCCN(C(=O)CCCOc2cccc(Br)c2)CC1 ZINC000364921880 563768833 /nfs/dbraw/zinc/76/88/33/563768833.db2.gz KVHSHNZADPJRMO-OAHLLOKOSA-N 1 0 399.329 2.523 20 0 GFADRO C[C@@H](NC(=O)C(=O)Nc1cccc(Cl)c1Br)[C@@H]1CCC[NH2+]C1 ZINC000415345538 563768863 /nfs/dbraw/zinc/76/88/63/563768863.db2.gz ARXPPBDCJIJWQG-NXEZZACHSA-N 1 0 388.693 2.545 20 0 GFADRO C[C@H](NC(=O)C(=O)Nc1cccc(Cl)c1Br)[C@H]1CCC[NH2+]C1 ZINC000415345540 563768942 /nfs/dbraw/zinc/76/89/42/563768942.db2.gz ARXPPBDCJIJWQG-UWVGGRQHSA-N 1 0 388.693 2.545 20 0 GFADRO CCOC(=O)c1cc(Br)ccc1NC(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000415351312 563769330 /nfs/dbraw/zinc/76/93/30/563769330.db2.gz NOYAHCWUJWBNFD-NWDGAFQWSA-N 1 0 396.285 2.699 20 0 GFADRO CCOC(=O)c1cc(Br)ccc1NC(=O)N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000415354992 563769876 /nfs/dbraw/zinc/76/98/76/563769876.db2.gz SSBRBHWLRSIFFB-MFKMUULPSA-N 1 0 384.274 2.827 20 0 GFADRO CCOC(=O)c1cc(Br)ccc1NC(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000415357584 563770025 /nfs/dbraw/zinc/77/00/25/563770025.db2.gz WKKPVOLHUZDGNK-OLZOCXBDSA-N 1 0 396.285 2.984 20 0 GFADRO CCOC(=O)c1cc(Br)ccc1NC(=O)N[C@@H](CC[NH3+])C(F)F ZINC000415354324 563770205 /nfs/dbraw/zinc/77/02/05/563770205.db2.gz RPQOWZOERPXZRH-NSHDSACASA-N 1 0 394.216 2.730 20 0 GFADRO C[NH2+][C@@H]1CCCN(C(=O)Nc2cccc(F)c2I)C1 ZINC000415363104 563770746 /nfs/dbraw/zinc/77/07/46/563770746.db2.gz QFDUQFZZMAFUTB-SECBINFHSA-N 1 0 377.201 2.646 20 0 GFADRO [NH3+]C[C@H]1CC[C@@H](NC(=O)Nc2cccc(F)c2I)C1 ZINC000415359842 563770779 /nfs/dbraw/zinc/77/07/79/563770779.db2.gz LCJSEWXKEWNKRD-DTWKUNHWSA-N 1 0 377.201 2.679 20 0 GFADRO C[N@@H+]1CC[C@]2(CCN(S(=O)(=O)c3cccc(Cl)c3Br)C2)C1 ZINC000292048096 563771434 /nfs/dbraw/zinc/77/14/34/563771434.db2.gz NHYBKQJATOOKFD-AWEZNQCLSA-N 1 0 393.734 2.819 20 0 GFADRO C[NH2+][C@@H]1CCCN(C(=O)Nc2c(F)cc(C)cc2I)C1 ZINC000415392715 563771919 /nfs/dbraw/zinc/77/19/19/563771919.db2.gz NZTKWMLMVGQTCL-SNVBAGLBSA-N 1 0 391.228 2.954 20 0 GFADRO C[C@H](O)[C@@H]1CC[N@H+](CC(=O)N2CCc3sccc3[C@H]2c2cccs2)C1 ZINC000365023535 563772076 /nfs/dbraw/zinc/77/20/76/563772076.db2.gz ZSCHHYHLLIDDHU-KSMMKXTCSA-N 1 0 376.547 2.986 20 0 GFADRO C[C@@H](CCCC[NH3+])NC(=O)c1cc(F)c(F)cc1I ZINC000292051793 563772249 /nfs/dbraw/zinc/77/22/49/563772249.db2.gz JGNSQTZPVMILFV-QMMMGPOBSA-N 1 0 382.192 2.817 20 0 GFADRO C[NH2+]C[C@@H](C)CNC(=O)Nc1c(F)cc(C)cc1I ZINC000415394815 563772548 /nfs/dbraw/zinc/77/25/48/563772548.db2.gz QZKPNBRKYOVUAW-SECBINFHSA-N 1 0 379.217 2.716 20 0 GFADRO COC(=O)c1cc(NC(=O)NCC[C@@H]2CCC[NH2+]C2)ccc1Br ZINC000415411036 563773596 /nfs/dbraw/zinc/77/35/96/563773596.db2.gz VRAKZEDYRDRCHP-NSHDSACASA-N 1 0 384.274 2.747 20 0 GFADRO O=C(NCC[C@@H]1CC[NH2+]C1)C(=O)Nc1ccc(Br)c2ccccc12 ZINC000415414161 563773652 /nfs/dbraw/zinc/77/36/52/563773652.db2.gz ZJNDWEVJEKLIME-LBPRGKRZSA-N 1 0 390.281 2.657 20 0 GFADRO Cc1cc(F)c(NC(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)c(I)c1 ZINC000415414294 563773669 /nfs/dbraw/zinc/77/36/69/563773669.db2.gz ZRKVTBCRYNWTEK-NXEZZACHSA-N 1 0 391.228 2.988 20 0 GFADRO O=S(=O)(NC1CC[NH+](Cc2cccs2)CC1)c1ccc2c(c1)CCO2 ZINC000365105351 563774034 /nfs/dbraw/zinc/77/40/34/563774034.db2.gz OVNWSNCCWWVPOC-UHFFFAOYSA-N 1 0 378.519 2.626 20 0 GFADRO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)Nc1cc(Cl)ccc1Br ZINC000415427660 563775020 /nfs/dbraw/zinc/77/50/20/563775020.db2.gz NKQOVDYJNRUUIV-JTQLQIEISA-N 1 0 376.682 2.531 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000415429053 563775077 /nfs/dbraw/zinc/77/50/77/563775077.db2.gz QUTAETUFYWHWBP-HNNXBMFYSA-N 1 0 382.302 2.720 20 0 GFADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc(Br)cc(C(=O)OC)c2)C1 ZINC000292150076 563775894 /nfs/dbraw/zinc/77/58/94/563775894.db2.gz PKLYFXWOJYNREA-LBPRGKRZSA-N 1 0 383.286 2.650 20 0 GFADRO C[C@H]1CCCN(C(=O)Nc2ccc(S(C)(=O)=O)c(C(F)F)c2)[C@H]1C[NH3+] ZINC000415440883 563776463 /nfs/dbraw/zinc/77/64/63/563776463.db2.gz SBLIKYJDYMJPMZ-GWCFXTLKSA-N 1 0 375.441 2.619 20 0 GFADRO O=C(Nc1cc(F)ccc1Br)C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000415462641 563776908 /nfs/dbraw/zinc/77/69/08/563776908.db2.gz HVWRRUQRBWJFSU-UHFFFAOYSA-N 1 0 398.276 2.517 20 0 GFADRO C[NH+](C)CCN(Cc1cccs1)S(=O)(=O)c1cnccc1C(F)(F)F ZINC000442733291 563777443 /nfs/dbraw/zinc/77/74/43/563777443.db2.gz BVPOZLDDXCUHIT-UHFFFAOYSA-N 1 0 393.456 2.914 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)Nc2ccc(Br)c(Cl)c2Cl)CCO1 ZINC000415475092 563778316 /nfs/dbraw/zinc/77/83/16/563778316.db2.gz OAXICSNBAYRDBG-ZETCQYMHSA-N 1 0 383.073 2.947 20 0 GFADRO CCOc1c(Cl)cc(NC(=O)NCCCN2CC[NH2+]CC2)cc1Cl ZINC000415493856 563779009 /nfs/dbraw/zinc/77/90/09/563779009.db2.gz DCVQCBNMYKNKIO-UHFFFAOYSA-N 1 0 375.300 2.809 20 0 GFADRO CCCC[C@@H](C[NH3+])NC(=O)C(=O)Nc1ccc(Br)c2cccnc12 ZINC000415498330 563779771 /nfs/dbraw/zinc/77/97/71/563779771.db2.gz MYPKFCNSZJMJLH-NSHDSACASA-N 1 0 393.285 2.570 20 0 GFADRO CO[C@H]1CCCC[C@@H]1[NH2+][C@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000442812838 563780255 /nfs/dbraw/zinc/78/02/55/563780255.db2.gz RQXMMWXHXWOGFX-SWHYSGLUSA-N 1 0 391.331 2.705 20 0 GFADRO Cc1c(C(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)cnn1-c1cccc(Br)c1 ZINC000365363280 563780795 /nfs/dbraw/zinc/78/07/95/563780795.db2.gz YJVRINOIABENOK-GUYCJALGSA-N 1 0 389.297 2.767 20 0 GFADRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)Nc2ccnn2Cc2ccccc2Br)C1 ZINC000415520483 563781491 /nfs/dbraw/zinc/78/14/91/563781491.db2.gz IAKLBOJTDDNELF-TZMCWYRMSA-N 1 0 392.301 2.943 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)Nc2ccnn2Cc2cccc(Br)c2)C1 ZINC000415526722 563782564 /nfs/dbraw/zinc/78/25/64/563782564.db2.gz KGXCCWBPDFZMOD-OCCSQVGLSA-N 1 0 392.301 2.895 20 0 GFADRO C[NH+](C)C1(C(=O)Nc2cc(Br)c[nH]c2=O)Cc2ccccc2C1 ZINC000365450165 563783614 /nfs/dbraw/zinc/78/36/14/563783614.db2.gz UBNQHNBWLQIKMO-UHFFFAOYSA-N 1 0 376.254 2.587 20 0 GFADRO COC(=O)c1sccc1NC(=O)C[NH2+][C@H](C)[C@@H]1OCCc2sccc21 ZINC000292353729 563783692 /nfs/dbraw/zinc/78/36/92/563783692.db2.gz HOTYAKLAUDEKHC-BMIGLBTASA-N 1 0 380.491 2.827 20 0 GFADRO C[N@@H+]1CC[C@H](CNC(=O)CSCC(=O)OC(C)(C)C)[C@H]1c1cccs1 ZINC000365453536 563783776 /nfs/dbraw/zinc/78/37/76/563783776.db2.gz ITOYEUXLRGNFII-DYVFJYSZSA-N 1 0 384.567 2.932 20 0 GFADRO CCC[NH2+]CCNC(=O)Nc1ccnn1Cc1ccc(Br)cc1 ZINC000415535773 563783729 /nfs/dbraw/zinc/78/37/29/563783729.db2.gz XPVKTHHSSPIYCA-UHFFFAOYSA-N 1 0 380.290 2.815 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)Nc2cccc(Cl)c2SCC(F)F)C1 ZINC000415565479 563784309 /nfs/dbraw/zinc/78/43/09/563784309.db2.gz IKONDMFHZRHYTE-VHSXEESVSA-N 1 0 391.871 2.831 20 0 GFADRO COC[C@@]1(CNC(=O)Nc2cc(Br)c(F)cc2F)CCC[NH2+]1 ZINC000415571184 563785040 /nfs/dbraw/zinc/78/50/40/563785040.db2.gz TWJORTAUHVYVCM-AWEZNQCLSA-N 1 0 378.217 2.617 20 0 GFADRO Cc1cc(NC(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)cnc1Br ZINC000365516544 563785114 /nfs/dbraw/zinc/78/51/14/563785114.db2.gz SAJXNHDXEZVULY-UHFFFAOYSA-N 1 0 393.289 3.260 20 0 GFADRO Cc1cc(Cl)cc(NC(=O)C(=O)N2C[C@@H](C)[NH2+]C[C@@H]2C)c1Br ZINC000415568387 563785197 /nfs/dbraw/zinc/78/51/97/563785197.db2.gz QUAMEUHRNOFEQN-ZJUUUORDSA-N 1 0 388.693 2.558 20 0 GFADRO COC(=O)c1c(C)c(NC(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)ccc1Br ZINC000415592458 563785641 /nfs/dbraw/zinc/78/56/41/563785641.db2.gz CGUZDLFCEBCJQS-GHMZBOCLSA-N 1 0 384.274 2.936 20 0 GFADRO COc1ccc(NC(=O)N[C@H]2CCC[C@@H]([NH3+])C2)c(I)c1 ZINC000415595403 563786204 /nfs/dbraw/zinc/78/62/04/563786204.db2.gz KJBWCZQWNXFTPS-ZJUUUORDSA-N 1 0 389.237 2.691 20 0 GFADRO COC(=O)c1cccc(NC(=O)N2CCCC[C@H]2[C@H](C)[NH3+])c1Br ZINC000415603613 563787041 /nfs/dbraw/zinc/78/70/41/563787041.db2.gz DLXAMHUNMWVVCT-GWCFXTLKSA-N 1 0 384.274 2.969 20 0 GFADRO COC(=O)c1c(Br)ccc(NC(=O)N2C[C@H](C)[NH2+]C[C@H]2C)c1C ZINC000415599044 563787090 /nfs/dbraw/zinc/78/70/90/563787090.db2.gz LVAKZQDAFFVSHO-VHSXEESVSA-N 1 0 384.274 2.758 20 0 GFADRO COC(=O)c1cc(NC(=O)NCC[C@H]2CCC[NH2+]2)cc(Br)c1F ZINC000415613137 563788339 /nfs/dbraw/zinc/78/83/39/563788339.db2.gz MNGDARRTYXOEAM-SECBINFHSA-N 1 0 388.237 2.638 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)N[C@H](c2ccc(F)c(Cl)c2)C(F)(F)F)CCCO1 ZINC000415621094 563788788 /nfs/dbraw/zinc/78/87/88/563788788.db2.gz VSCKOTBUEVUUHV-ZWNOBZJWSA-N 1 0 383.773 2.842 20 0 GFADRO C[NH2+][C@H]1CCCN(C(=O)Nc2cc(Br)c(F)cc2C(=O)OC)C1 ZINC000415630747 563788882 /nfs/dbraw/zinc/78/88/82/563788882.db2.gz GKIZFIIGQYMHIQ-VIFPVBQESA-N 1 0 388.237 2.591 20 0 GFADRO C[NH2+]C[C@@H](C)CNC(=O)Nc1cc(Br)cc(C(=O)N2CCCC2)c1 ZINC000415636865 563789504 /nfs/dbraw/zinc/78/95/04/563789504.db2.gz LSUCGNWTPXDMOE-GFCCVEGCSA-N 1 0 397.317 2.662 20 0 GFADRO C[N@@H+]1CC[C@@]2(CCN(C(=O)c3cc(F)ccc3I)C2)C1 ZINC000292556033 563789890 /nfs/dbraw/zinc/78/98/90/563789890.db2.gz NGILGSINILGIBL-OAHLLOKOSA-N 1 0 388.224 2.598 20 0 GFADRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)Nc1ccnn1-c1ccc(Br)cn1 ZINC000415642797 563789962 /nfs/dbraw/zinc/78/99/62/563789962.db2.gz VWCWVRAMWKXUKS-AAEUAGOBSA-N 1 0 393.289 2.669 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H](NC(=O)C(=O)Nc2cc(F)c(Br)c(Cl)c2)C1 ZINC000415645293 563790106 /nfs/dbraw/zinc/79/01/06/563790106.db2.gz LLIJWAFQALBSIX-HTQZYQBOSA-N 1 0 392.656 2.566 20 0 GFADRO CC[C@@H](C)Sc1ccc(NC(=O)C(=O)N[C@@H](C)C[NH3+])c(C(F)(F)F)c1 ZINC000415647157 563790261 /nfs/dbraw/zinc/79/02/61/563790261.db2.gz FFBVESCFNFUVTP-VHSXEESVSA-N 1 0 377.432 2.998 20 0 GFADRO [NH3+][C@H]1CCC[C@H](NC(=O)C(=O)Nc2cccnc2-c2ccc(Cl)s2)C1 ZINC000415652407 563790438 /nfs/dbraw/zinc/79/04/38/563790438.db2.gz RGCNDOMSARZNRB-QWRGUYRKSA-N 1 0 378.885 2.788 20 0 GFADRO Cc1cc(NC(=O)C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)ccc1Br ZINC000415674168 563790670 /nfs/dbraw/zinc/79/06/70/563790670.db2.gz JRESOHANVMIABU-AWEZNQCLSA-N 1 0 382.302 2.590 20 0 GFADRO Cc1cc(NC(=O)C(=O)NC[C@H]2[NH2+]CCCC2(C)C)ccc1Br ZINC000415674170 563790774 /nfs/dbraw/zinc/79/07/74/563790774.db2.gz JRESOHANVMIABU-CQSZACIVSA-N 1 0 382.302 2.590 20 0 GFADRO CCOc1c(Cl)cc(NC(=O)C(=O)N2CCC[C@H](CC[NH3+])C2)cc1Cl ZINC000415674543 563790827 /nfs/dbraw/zinc/79/08/27/563790827.db2.gz FDICIJXOOLLGRQ-LLVKDONJSA-N 1 0 388.295 2.918 20 0 GFADRO O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)Nc1cc(Cl)cc(F)c1F ZINC000415658470 563790854 /nfs/dbraw/zinc/79/08/54/563790854.db2.gz PPHGBAYKSHCZSL-NSHDSACASA-N 1 0 386.752 2.576 20 0 GFADRO O=C(NCCCN1CC[NH2+]CC1)Nc1cccc(Br)c1Cl ZINC000415692125 563791272 /nfs/dbraw/zinc/79/12/72/563791272.db2.gz OBXJUZNXQPTGAR-UHFFFAOYSA-N 1 0 375.698 2.519 20 0 GFADRO COC(=O)c1cc(NC(=O)N(C)CC(C)(C)C[NH3+])c(C)cc1Br ZINC000415702603 563791980 /nfs/dbraw/zinc/79/19/80/563791980.db2.gz DKAFXNCUXWEEDL-UHFFFAOYSA-N 1 0 386.290 2.993 20 0 GFADRO C[NH2+]CC1CCN(C(=O)Nc2ccc3nccnc3c2Br)CC1 ZINC000415706330 563791986 /nfs/dbraw/zinc/79/19/86/563791986.db2.gz MIMNRTWZTZYEJA-UHFFFAOYSA-N 1 0 378.274 2.856 20 0 GFADRO Cc1cc(I)cc(NC(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000415706112 563792000 /nfs/dbraw/zinc/79/20/00/563792000.db2.gz IIEJRKQHXCDSEL-NEPJUHHUSA-N 1 0 385.249 2.673 20 0 GFADRO CNC(=O)c1cccc(NC(=O)N[C@@](C)(C[NH3+])CC(C)C)c1Br ZINC000415712413 563792671 /nfs/dbraw/zinc/79/26/71/563792671.db2.gz UVLRJXNGIGBSML-MRXNPFEDSA-N 1 0 385.306 2.694 20 0 GFADRO COC(=O)c1cc(NC(=O)NC[C@H]2CCC[NH2+]C2)c(C)cc1Br ZINC000415710768 563792776 /nfs/dbraw/zinc/79/27/76/563792776.db2.gz RKQVLFWMXBZOFV-NSHDSACASA-N 1 0 384.274 2.665 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)C(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000415726423 563793161 /nfs/dbraw/zinc/79/31/61/563793161.db2.gz ONRXSTMGGGHMES-JOCQHMNTSA-N 1 0 382.302 2.577 20 0 GFADRO CC(C)Sc1ccc(Cl)cc1NC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000415749489 563793600 /nfs/dbraw/zinc/79/36/00/563793600.db2.gz QYZJSHHLBNNCAR-OLZOCXBDSA-N 1 0 381.929 2.847 20 0 GFADRO C[C@@H]([NH3+])C1CCN(C(=O)Nc2ccn(-c3ccc(Br)cc3)n2)CC1 ZINC000415756148 563794200 /nfs/dbraw/zinc/79/42/00/563794200.db2.gz LEAMQUSCZUTMKS-GFCCVEGCSA-N 1 0 392.301 3.226 20 0 GFADRO [NH3+]C[C@@H]1CCN(C(=O)Nc2cc(Cl)ccc2I)C1 ZINC000415751509 563794392 /nfs/dbraw/zinc/79/43/92/563794392.db2.gz APPHVHCEBCBSLZ-QMMMGPOBSA-N 1 0 379.629 2.757 20 0 GFADRO C[C@@H](CCC[NH3+])NC(=O)C(=O)Nc1ccc(Br)cc1C(F)(F)F ZINC000415756801 563794509 /nfs/dbraw/zinc/79/45/09/563794509.db2.gz FOWCIDBIXMHCSO-QMMMGPOBSA-N 1 0 396.207 2.650 20 0 GFADRO CC(C)(CCC[NH3+])NC(=O)C(=O)Nc1ccc(Cl)cc1Br ZINC000415759926 563795117 /nfs/dbraw/zinc/79/51/17/563795117.db2.gz MFOLLQXYIXVSQF-UHFFFAOYSA-N 1 0 376.682 2.675 20 0 GFADRO O=C(Nc1ccc(Cl)cc1C(F)(F)F)C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000415773257 563795781 /nfs/dbraw/zinc/79/57/81/563795781.db2.gz VPIUPYOBGJNJKN-BXKDBHETSA-N 1 0 375.778 2.508 20 0 GFADRO COc1cc(CNc2ccn(C3CC[NH+](C)CC3)n2)cc(Br)c1O ZINC000365952682 563795761 /nfs/dbraw/zinc/79/57/61/563795761.db2.gz GQCLLUPMEUGCBJ-UHFFFAOYSA-N 1 0 395.301 3.239 20 0 GFADRO C[C@@H](CCCC[NH3+])NC(=O)C(=O)Nc1cccc(Cl)c1Br ZINC000415779632 563796223 /nfs/dbraw/zinc/79/62/23/563796223.db2.gz LAWRQGGIFWIVBP-VIFPVBQESA-N 1 0 376.682 2.675 20 0 GFADRO CN(C(=O)C(=O)Nc1cc(Cl)ccc1SCC(F)(F)F)C1CC([NH3+])C1 ZINC000415788513 563796278 /nfs/dbraw/zinc/79/62/78/563796278.db2.gz LOVMMPOXYUWARO-UHFFFAOYSA-N 1 0 395.834 2.881 20 0 GFADRO COc1cc(I)ccc1NC(=O)N1C[C@H](C)[NH2+]C[C@H]1C ZINC000415775989 563796322 /nfs/dbraw/zinc/79/63/22/563796322.db2.gz WACRRMVUAQKIPO-VHSXEESVSA-N 1 0 389.237 2.514 20 0 GFADRO CC(C)Sc1c(Cl)cccc1NC(=O)C(=O)N[C@@H](CC[NH3+])C(F)F ZINC000415795794 563796853 /nfs/dbraw/zinc/79/68/53/563796853.db2.gz XETJFLRWYDGKRH-NSHDSACASA-N 1 0 379.860 2.878 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)c(Br)c1 ZINC000415818632 563798139 /nfs/dbraw/zinc/79/81/39/563798139.db2.gz WRHQITCOQPMVNX-OLZOCXBDSA-N 1 0 382.302 2.638 20 0 GFADRO Cc1ccc(NC(=O)C(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c(Br)c1 ZINC000415816434 563798447 /nfs/dbraw/zinc/79/84/47/563798447.db2.gz HAAYIJYMSBFZJZ-ZIAGYGMSSA-N 1 0 394.313 2.544 20 0 GFADRO C[C@H]1CCN(C(=O)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)C[C@@H]1C[NH3+] ZINC000415851928 563799562 /nfs/dbraw/zinc/79/95/62/563799562.db2.gz PWHISETWNVXQGJ-UWVGGRQHSA-N 1 0 377.794 2.741 20 0 GFADRO CC(C)c1cc(Br)ccc1NC(=O)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000415873901 563800300 /nfs/dbraw/zinc/80/03/00/563800300.db2.gz VSVBVKHRYGQNSL-ZDUSSCGKSA-N 1 0 382.302 2.769 20 0 GFADRO CC[NH2+]Cc1ccccc1NC(=O)NCc1cc(Br)cnc1N ZINC000415928675 563800468 /nfs/dbraw/zinc/80/04/68/563800468.db2.gz GKERUDCCTUHHFQ-UHFFFAOYSA-N 1 0 378.274 2.858 20 0 GFADRO Cc1nn(C)c(CN2CCC[C@H](C(=O)N3CCCCC3)C2)c1Br ZINC000366172153 563800785 /nfs/dbraw/zinc/80/07/85/563800785.db2.gz PYOWMWPUOPYHNL-AWEZNQCLSA-N 1 0 383.334 2.716 20 0 GFADRO [NH3+]CC[C@H](NC(=O)NC1(c2ccc(Cl)cc2)CCOCC1)C(F)(F)F ZINC000416002993 563801634 /nfs/dbraw/zinc/80/16/34/563801634.db2.gz GBZGQQUOCNAOOZ-ZDUSSCGKSA-N 1 0 379.810 2.925 20 0 GFADRO COc1ccc(Br)cc1CN(C)C(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000415999093 563801742 /nfs/dbraw/zinc/80/17/42/563801742.db2.gz VTAMSXLUUFSWMQ-LBPRGKRZSA-N 1 0 398.223 2.879 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2ccccc2Br)C[C@@H]1C ZINC000443366081 563803165 /nfs/dbraw/zinc/80/31/65/563803165.db2.gz LMDFUNNITZHWIH-QWHCGFSZSA-N 1 0 382.302 2.719 20 0 GFADRO COc1ccc(Br)cc1C1(C(=O)N2CC[C@@H](C[NH+](C)C)C2)CC1 ZINC000416165116 563807767 /nfs/dbraw/zinc/80/77/67/563807767.db2.gz DEDSLZWOJVNUFU-ZDUSSCGKSA-N 1 0 381.314 2.899 20 0 GFADRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1nn(C)cc1Br ZINC000293311443 563808182 /nfs/dbraw/zinc/80/81/82/563808182.db2.gz ITBNUKCXQKYZGV-CJNGLKHVSA-N 1 0 391.313 2.823 20 0 GFADRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)Nc1cc(F)cc(F)c1Br ZINC000443735106 563811063 /nfs/dbraw/zinc/81/10/63/563811063.db2.gz SSKDEWGRLCKJCG-SECBINFHSA-N 1 0 392.244 2.512 20 0 GFADRO Cc1ccc(NC(=O)C(=O)NC2CC([NH+]3CCCCC3)C2)c(Br)c1 ZINC000366634215 563815907 /nfs/dbraw/zinc/81/59/07/563815907.db2.gz KCIWTDYOVROTPF-UHFFFAOYSA-N 1 0 394.313 2.829 20 0 GFADRO CSCc1cnc(C[NH2+]CC[C@](O)(c2nccn2C)C(F)(F)F)s1 ZINC000293522740 563816795 /nfs/dbraw/zinc/81/67/95/563816795.db2.gz ITGNTNOPZSPEQP-ZDUSSCGKSA-N 1 0 380.461 2.669 20 0 GFADRO C[C@H](OC[C@H](O)CN1CC[NH+]([C@H]2CCSC2)CC1)c1ccc(Cl)cc1 ZINC000366661909 563817192 /nfs/dbraw/zinc/81/71/92/563817192.db2.gz HEJYNKSAIYZFOB-ZYSHUDEJSA-N 1 0 384.973 2.902 20 0 GFADRO COc1cc(OC)c(S(=O)(=O)NC[C@H](C)[N@@H+]2CCCC[C@@H]2C)cc1Cl ZINC000416365884 563818432 /nfs/dbraw/zinc/81/84/32/563818432.db2.gz BLEKFWZXIXZXNQ-STQMWFEESA-N 1 0 390.933 2.898 20 0 GFADRO Cc1cc(S(=O)(=O)N2CCC([NH+](C)C)CC2)c(F)cc1Br ZINC000416373137 563818928 /nfs/dbraw/zinc/81/89/28/563818928.db2.gz PPAGQIGGFXAZOY-UHFFFAOYSA-N 1 0 379.295 2.611 20 0 GFADRO C[C@H](CN1CC[NH+](C)CC1)Nc1nnc(-c2cc(Cl)cc(Cl)c2)s1 ZINC000444089726 563821284 /nfs/dbraw/zinc/82/12/84/563821284.db2.gz YCBVFACQOCEZFK-LLVKDONJSA-N 1 0 386.352 3.560 20 0 GFADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)c1ccc(Br)c(Cl)c1F ZINC000444172794 563823115 /nfs/dbraw/zinc/82/31/15/563823115.db2.gz BOYSUKSZXUIIDV-SNVBAGLBSA-N 1 0 392.700 2.607 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2cc(Cl)c(OC)cc2OC)[C@H](C)C1 ZINC000416409939 563824491 /nfs/dbraw/zinc/82/44/91/563824491.db2.gz WHGIHSKVAKUXIB-TZMCWYRMSA-N 1 0 390.933 2.708 20 0 GFADRO CN(C(=O)Nc1cncc(Br)c1)C1CC[NH+](C2CCOCC2)CC1 ZINC000366961335 563825960 /nfs/dbraw/zinc/82/59/60/563825960.db2.gz LKVJEDYDTCMBFB-UHFFFAOYSA-N 1 0 397.317 2.951 20 0 GFADRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)c3cc(F)c(F)cc3Br)[C@H]2C1 ZINC000293856348 563826177 /nfs/dbraw/zinc/82/61/77/563826177.db2.gz JEYANSIXFHGDMR-LSDHHAIUSA-N 1 0 389.240 2.663 20 0 GFADRO CCS(=O)(=O)N1CCC([NH2+][C@@H]2CCc3sc(Br)cc32)CC1 ZINC000293875523 563826744 /nfs/dbraw/zinc/82/67/44/563826744.db2.gz VEULHYSVMUZZJR-GFCCVEGCSA-N 1 0 393.372 2.902 20 0 GFADRO O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)c1c[nH]c2cccc(Br)c21 ZINC000367020437 563827388 /nfs/dbraw/zinc/82/73/88/563827388.db2.gz NKQBUYHLMOVDPD-CYBMUJFWSA-N 1 0 392.297 2.914 20 0 GFADRO COC(=O)c1ccc(C[NH2+][C@@H]2CCc3nc(C)ncc3C2)c(Br)c1 ZINC000367048639 563829444 /nfs/dbraw/zinc/82/94/44/563829444.db2.gz XDUGMFGPVZVLSZ-OAHLLOKOSA-N 1 0 390.281 2.981 20 0 GFADRO C[C@H](NC(=O)c1cnc2ccc(Br)cc2c1O)C1=CC[N@H+](C)CC1 ZINC000444359533 563829963 /nfs/dbraw/zinc/82/99/63/563829963.db2.gz BXAJLTHUCYTLFR-NSHDSACASA-N 1 0 390.281 2.671 20 0 GFADRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1Cc1nc2ccc(Br)cc2n1C ZINC000444680191 563834719 /nfs/dbraw/zinc/83/47/19/563834719.db2.gz WQKZBIGTMHWRRL-CYBMUJFWSA-N 1 0 395.345 2.613 20 0 GFADRO Cc1cc(Br)ccc1C[N@@H+](C)C[C@H](O)CN1C[C@@H](C)O[C@@H](C)C1 ZINC000444691667 563834868 /nfs/dbraw/zinc/83/48/68/563834868.db2.gz AIVJDISSOMXXES-DAYGRLMNSA-N 1 0 385.346 2.659 20 0 GFADRO CC[N@H+](CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl)[C@@H]1CCCC[C@@H]1C ZINC000444664972 563834896 /nfs/dbraw/zinc/83/48/96/563834896.db2.gz NMTUBGOIELKDOR-BLLLJJGKSA-N 1 0 387.933 2.827 20 0 GFADRO CCN1CCN(C(=O)[C@@H](C)[N@H+](C)Cc2ccc(Br)cc2C)CC1 ZINC000444707493 563835823 /nfs/dbraw/zinc/83/58/23/563835823.db2.gz YBOLHAVBXINCKN-OAHLLOKOSA-N 1 0 382.346 2.742 20 0 GFADRO CC(C)[C@@H]1CCC[N@H+](CC(=O)NCC(=O)Nc2ccccc2Br)C1 ZINC000444755418 563836384 /nfs/dbraw/zinc/83/63/84/563836384.db2.gz XNQFRSVVASMSDW-CQSZACIVSA-N 1 0 396.329 2.872 20 0 GFADRO CC[C@H](C)[C@H](NC(=O)C[NH2+][C@@H](C)c1ccc(Br)s1)C(=O)OC ZINC000444763794 563836733 /nfs/dbraw/zinc/83/67/33/563836733.db2.gz VLRKDEMIRUCKOI-BHDSKKPTSA-N 1 0 391.331 2.865 20 0 GFADRO O=C(N[C@H](c1ccc(F)c(Cl)c1)C(F)(F)F)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000444762065 563836791 /nfs/dbraw/zinc/83/67/91/563836791.db2.gz PPJWHWYPEYKXHA-ZIAGYGMSSA-N 1 0 379.785 2.589 20 0 GFADRO CS(=O)(=O)N1CC[C@@H](C[N@@H+]2CCC[C@H](Sc3ccc(F)cc3F)C2)C1 ZINC000367297367 563840094 /nfs/dbraw/zinc/84/00/94/563840094.db2.gz AMRHOEYLVPMMDW-ZFWWWQNUSA-N 1 0 390.521 2.803 20 0 GFADRO Brc1c(CN2CC[NH+]([C@@H]3CCSC3)CC2)nc2ccccn12 ZINC000367318333 563840595 /nfs/dbraw/zinc/84/05/95/563840595.db2.gz QDXWWVLUXMZZPH-CYBMUJFWSA-N 1 0 381.343 2.720 20 0 GFADRO O=S(=O)(NCC1CC[NH+](C2CC2)CC1)c1ccc(F)cc1C(F)(F)F ZINC000445074468 563843265 /nfs/dbraw/zinc/84/32/65/563843265.db2.gz AOFLFUMIWRQPEO-UHFFFAOYSA-N 1 0 380.407 2.997 20 0 GFADRO C[N@H+](CCNC(=O)NCc1cnn(-c2ccc(Br)cc2)c1)C1CC1 ZINC000445077129 563843380 /nfs/dbraw/zinc/84/33/80/563843380.db2.gz DAJSPBUXJZHRNE-UHFFFAOYSA-N 1 0 392.301 2.528 20 0 GFADRO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[NH2+][C@@H]1CCC(=O)N[C@@H]1C1CC1 ZINC000367446709 563844766 /nfs/dbraw/zinc/84/47/66/563844766.db2.gz GPCOSFQHBMQDKO-CRAIPNDOSA-N 1 0 384.307 2.599 20 0 GFADRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)NCCCCn1cc(Br)cn1 ZINC000367581165 563849062 /nfs/dbraw/zinc/84/90/62/563849062.db2.gz SGDUDOHZMHSZLR-ZBFHGGJFSA-N 1 0 398.349 2.694 20 0 GFADRO COc1ccc(C[NH2+]C[C@@H]2CCN(S(=O)(=O)c3cccs3)C2)cc1F ZINC000367587981 563850103 /nfs/dbraw/zinc/85/01/03/563850103.db2.gz UXAQLKGEYXTFPS-AWEZNQCLSA-N 1 0 384.498 2.696 20 0 GFADRO C[N@@H+]1CC[C@H]2CCN(C(=O)Nc3cccc(I)c3)C[C@@H]21 ZINC000367586840 563850140 /nfs/dbraw/zinc/85/01/40/563850140.db2.gz HNSLLXZOFSMMDM-FZMZJTMJSA-N 1 0 385.249 2.849 20 0 GFADRO C[NH+]1CCC([C@@H]2CCN(Cc3ncc(I)s3)C2)CC1 ZINC000367690037 563852258 /nfs/dbraw/zinc/85/22/58/563852258.db2.gz SZGXEXFWGNDIMK-GFCCVEGCSA-N 1 0 391.322 2.911 20 0 GFADRO CCCNC(=O)C[C@H](C(N)=O)[N@H+](CCC)Cc1ccc(C)c(Br)c1 ZINC000445810414 563854413 /nfs/dbraw/zinc/85/44/13/563854413.db2.gz ZMHNXYSHKILWNU-MRXNPFEDSA-N 1 0 398.345 2.740 20 0 GFADRO O[C@H](COCC(F)(F)F)C[N@@H+]1CCC[C@H](c2nc(C(F)(F)F)c[nH]2)C1 ZINC000367926359 563859572 /nfs/dbraw/zinc/85/95/72/563859572.db2.gz FQDBKUDZKOIUIP-UWVGGRQHSA-N 1 0 375.313 2.548 20 0 GFADRO CN(CC1([NH+](C)C)CCC1)C(=O)NCc1cn2cc(Br)ccc2n1 ZINC000446134407 563859824 /nfs/dbraw/zinc/85/98/24/563859824.db2.gz BPNVLKMMMZTWTK-UHFFFAOYSA-N 1 0 394.317 2.723 20 0 GFADRO CCOc1c(Cl)cc(NC(=O)C(=O)NCC2([NH+](C)C)CCC2)cc1Cl ZINC000446176021 563860225 /nfs/dbraw/zinc/86/02/25/563860225.db2.gz UTCVBAFYNQJXSP-UHFFFAOYSA-N 1 0 388.295 2.931 20 0 GFADRO Cc1sc(Br)cc1S(=O)(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000368027057 563862135 /nfs/dbraw/zinc/86/21/35/563862135.db2.gz KIJJMROVVZSKPU-ZDUSSCGKSA-N 1 0 379.345 2.535 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)N1C[C@@H](C)[N@H+](CCO)C[C@H]1C ZINC000416906884 563863035 /nfs/dbraw/zinc/86/30/35/563863035.db2.gz ARULHBDTSUNOPB-CHWSQXEVSA-N 1 0 384.318 2.930 20 0 GFADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)c1cc[nH]c(=O)c1Br ZINC000446395611 563863437 /nfs/dbraw/zinc/86/34/37/563863437.db2.gz FMAKCJNMFLTTPP-IUODEOHRSA-N 1 0 390.281 2.800 20 0 GFADRO C[NH+]1CCC(N(Cc2ccccc2Br)C(=O)C2=COCCO2)CC1 ZINC000368202730 563866278 /nfs/dbraw/zinc/86/62/78/563866278.db2.gz JFDBMYSQUGJURI-UHFFFAOYSA-N 1 0 395.297 2.760 20 0 GFADRO COCC1(CNC(=O)N[C@H](C)Cc2ccc(Br)cc2)CC[NH2+]CC1 ZINC000417103412 563868019 /nfs/dbraw/zinc/86/80/19/563868019.db2.gz MPLQKLUNDXQNCW-CQSZACIVSA-N 1 0 398.345 2.696 20 0 GFADRO C[C@@H](Cc1ccc(Br)cc1)NC(=O)N1CCC(OCCC[NH3+])CC1 ZINC000417099200 563868072 /nfs/dbraw/zinc/86/80/72/563868072.db2.gz GXKMAHDIBHMZQD-AWEZNQCLSA-N 1 0 398.345 2.920 20 0 GFADRO C[NH+](C)Cc1ccsc1C(=O)N[C@H]1CC(=O)N(c2ccccc2Cl)C1 ZINC000446928861 563870267 /nfs/dbraw/zinc/87/02/67/563870267.db2.gz NJPBLXNBOALWBW-ZDUSSCGKSA-N 1 0 377.897 2.998 20 0 GFADRO CCC[NH2+]CCNC(=O)N[C@@H](C)c1cc2c(cc1Br)OCCO2 ZINC000417181791 563870882 /nfs/dbraw/zinc/87/08/82/563870882.db2.gz PZQJHHGTHSUUJX-NSHDSACASA-N 1 0 386.290 2.580 20 0 GFADRO O=C(c1cc(Br)c2c(c1)OCCO2)N1CCC[C@@H]2C[NH2+]CCC[C@H]21 ZINC000368444119 563871313 /nfs/dbraw/zinc/87/13/13/563871313.db2.gz BFQPBUJALAVDEA-IUODEOHRSA-N 1 0 395.297 2.825 20 0 GFADRO COc1cc(C[N@@H+]2CC[C@@H](CC(F)(F)F)C2)cc(Cl)c1OCC(N)=O ZINC000446972959 563871509 /nfs/dbraw/zinc/87/15/09/563871509.db2.gz BNNQWXHAUZAUDT-JTQLQIEISA-N 1 0 380.794 2.987 20 0 GFADRO O=C(Cc1cc(F)ccc1Br)N1CCN[C@H](c2cccnc2)C1 ZINC000368522692 563872753 /nfs/dbraw/zinc/87/27/53/563872753.db2.gz QSINMPUEHANQCN-INIZCTEOSA-N 1 0 378.245 2.699 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)NCCC(=O)Nc2ccc(Br)cc2)C1 ZINC000417225963 563874178 /nfs/dbraw/zinc/87/41/78/563874178.db2.gz OIWLYFUDRXMCJU-STQMWFEESA-N 1 0 397.317 2.547 20 0 GFADRO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)NCCC(=O)Nc1ccc(Br)cc1 ZINC000417225333 563874189 /nfs/dbraw/zinc/87/41/89/563874189.db2.gz NRDGZBIONDGCDF-DOMZBBRYSA-N 1 0 397.317 2.594 20 0 GFADRO CO[C@@H]1CCN(C(=O)N[C@@H]2CCc3cc(Br)ccc32)[C@H](C[NH3+])C1 ZINC000417243007 563875301 /nfs/dbraw/zinc/87/53/01/563875301.db2.gz OCKOCBRSNZHOBM-SQWLQELKSA-N 1 0 382.302 2.584 20 0 GFADRO CC[N@@H+](Cc1cc(Br)ccc1F)C[C@H](O)CO[C@H](C)COC ZINC000447158842 563875778 /nfs/dbraw/zinc/87/57/78/563875778.db2.gz RIYIONYWBMGTGF-DOMZBBRYSA-N 1 0 378.282 2.823 20 0 GFADRO CN(C(=O)NC[C@H]1CCN(c2cccc(Br)c2)C1)C1CC[NH2+]CC1 ZINC000417263866 563875855 /nfs/dbraw/zinc/87/58/55/563875855.db2.gz RABJWDBJKQYKJO-CQSZACIVSA-N 1 0 395.345 2.669 20 0 GFADRO C[C@H]([NH2+]CCOc1ccc(S(C)(=O)=O)cc1)[C@H]1OCCc2sccc21 ZINC000368633099 563876560 /nfs/dbraw/zinc/87/65/60/563876560.db2.gz MSSZFAAQRFAODC-SCLBCKFNSA-N 1 0 381.519 2.823 20 0 GFADRO [NH3+][C@@H]1CCC[C@H](CNC(=O)NCc2cc(Br)c3c(c2)OCCO3)C1 ZINC000417299046 563877646 /nfs/dbraw/zinc/87/76/46/563877646.db2.gz LVDYPZKWNZAPLN-WCQYABFASA-N 1 0 398.301 2.537 20 0 GFADRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)NCCc3cc(Br)ccc3F)C[C@@H]21 ZINC000417293463 563877724 /nfs/dbraw/zinc/87/77/24/563877724.db2.gz FOWVLWIGUBQSLD-DUVNUKRYSA-N 1 0 384.293 2.900 20 0 GFADRO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)NCc1cc(Br)c2c(c1)OCCO2 ZINC000417295756 563877761 /nfs/dbraw/zinc/87/77/61/563877761.db2.gz FOWFRSOGRXYVPI-GXTWGEPZSA-N 1 0 398.301 2.537 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H]2CN(S(=O)(=O)c3cc(Br)sc3Cl)C[C@@H]21 ZINC000447247599 563877983 /nfs/dbraw/zinc/87/79/83/563877983.db2.gz JEVQXHHZTPIYBF-HRDYMLBCSA-N 1 0 399.763 2.912 20 0 GFADRO [NH3+][C@@H]1CCCN(C(=O)NCC2(c3ccc(Br)cc3)CCOCC2)C1 ZINC000417417955 563879751 /nfs/dbraw/zinc/87/97/51/563879751.db2.gz AWLHKJXHEZLBIS-MRXNPFEDSA-N 1 0 396.329 2.630 20 0 GFADRO C[C@H](CCC[NH3+])NC(=O)NCC1(c2ccc(Br)cc2)CCOCC1 ZINC000417434016 563880244 /nfs/dbraw/zinc/88/02/44/563880244.db2.gz WJBVGQNGTGFVSK-CQSZACIVSA-N 1 0 398.345 2.924 20 0 GFADRO Cc1cc(NC(=O)N[C@H](C)CN2CC[NH+](C)CC2)cc(F)c1Br ZINC000417548374 563881922 /nfs/dbraw/zinc/88/19/22/563881922.db2.gz IDSUPBYHXURMOY-GFCCVEGCSA-N 1 0 387.297 2.654 20 0 GFADRO O=C(C[C@@H]1Sc2ccc(Cl)cc2NC1=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000368926087 563882106 /nfs/dbraw/zinc/88/21/06/563882106.db2.gz MVHNZFAKAVXSHT-CJNGLKHVSA-N 1 0 379.913 2.840 20 0 GFADRO O=C(CC[N@@H+]1CC[C@@H](NC(=O)C2CCC2)C1)Nc1ccccc1Br ZINC000369061881 563885483 /nfs/dbraw/zinc/88/54/83/563885483.db2.gz GAZCNWUHAKNDCT-CQSZACIVSA-N 1 0 394.313 2.768 20 0 GFADRO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)N[C@H]1CCN(c2ccccc2Br)C1 ZINC000417599440 563885620 /nfs/dbraw/zinc/88/56/20/563885620.db2.gz HYALUHCPNPZBTR-OFQRWUPVSA-N 1 0 395.345 2.845 20 0 GFADRO CCCN(C(=O)N[C@H]1CCN(c2ccccc2Br)C1)[C@H]1CC[NH2+]C1 ZINC000417605921 563886234 /nfs/dbraw/zinc/88/62/34/563886234.db2.gz ZKIPABAWJLGAKU-GJZGRUSLSA-N 1 0 395.345 2.811 20 0 GFADRO [NH3+]C1CCC(NC(=O)N[C@H]2CCN(c3ccccc3Br)C2)CC1 ZINC000417604442 563886287 /nfs/dbraw/zinc/88/62/87/563886287.db2.gz USIRMPZIPVMJDZ-RUXDESIVSA-N 1 0 381.318 2.597 20 0 GFADRO [NH3+][C@H]1CCC[C@@]12CCN(S(=O)(=O)c1cccc(Cl)c1Br)C2 ZINC000369076965 563886257 /nfs/dbraw/zinc/88/62/57/563886257.db2.gz LKCHHKPSUJROMM-JSGCOSHPSA-N 1 0 393.734 2.995 20 0 GFADRO C[N@@H+]1CCCC(C)(C)[C@H]1CNc1ccc(S(N)(=O)=O)cc1C(F)(F)F ZINC000447809027 563887096 /nfs/dbraw/zinc/88/70/96/563887096.db2.gz AGPBHNBPGSBOIH-CQSZACIVSA-N 1 0 379.448 2.885 20 0 GFADRO O=C(N[C@H]1CCc2c1ccc(Cl)c2Cl)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000417709729 563887431 /nfs/dbraw/zinc/88/74/31/563887431.db2.gz UBIGNLDIFBJMQZ-WBMJQRKESA-N 1 0 383.323 2.670 20 0 GFADRO C[C@H]1C[C@@H](NC(=O)NCCOc2ncc(C(F)(F)F)cc2Cl)CC[NH2+]1 ZINC000417741789 563888608 /nfs/dbraw/zinc/88/86/08/563888608.db2.gz VHFISEXYNMNPEU-ONGXEEELSA-N 1 0 380.798 2.572 20 0 GFADRO C[C@H](CNC(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1)Oc1cccc(Br)c1 ZINC000417784159 563889239 /nfs/dbraw/zinc/88/92/39/563889239.db2.gz BSFDWZMJLDDQDW-HZSPNIEDSA-N 1 0 384.318 2.904 20 0 GFADRO CC1(C)C[N@H+](CCCOc2cccc(I)c2)C[C@@H]1O ZINC000447874129 563889533 /nfs/dbraw/zinc/88/95/33/563889533.db2.gz VNRAKWXFZCBJQI-AWEZNQCLSA-N 1 0 375.250 2.763 20 0 GFADRO C[C@@H](CNC(=O)N1CCC[C@H](CC[NH3+])C1)Oc1ccccc1Br ZINC000417825300 563889736 /nfs/dbraw/zinc/88/97/36/563889736.db2.gz MYVWWFSJTMIDMM-UONOGXRCSA-N 1 0 384.318 2.987 20 0 GFADRO C[C@H]([NH3+])C1CCN(C(=O)NC[C@H](C)Oc2ccccc2Br)CC1 ZINC000417823481 563889749 /nfs/dbraw/zinc/88/97/49/563889749.db2.gz KYGSLYVDPCNQGB-STQMWFEESA-N 1 0 384.318 2.985 20 0 GFADRO CCCN(C(=O)NC[C@H](C)Oc1cccc(Br)c1)[C@H]1CC[NH2+]C1 ZINC000417797800 563889762 /nfs/dbraw/zinc/88/97/62/563889762.db2.gz RCVLSMNFQVXBKN-ZFWWWQNUSA-N 1 0 384.318 3.000 20 0 GFADRO CCCN(C(=O)NC[C@H](C)Oc1ccccc1Br)[C@@H]1CC[NH2+]C1 ZINC000417820317 563889784 /nfs/dbraw/zinc/88/97/84/563889784.db2.gz HGWRHAZZCYJTAU-UONOGXRCSA-N 1 0 384.318 3.000 20 0 GFADRO COC[C@]1(CNC(=O)NCCc2nc3cc(Cl)ccc3s2)CCC[NH2+]1 ZINC000417862231 563890337 /nfs/dbraw/zinc/89/03/37/563890337.db2.gz BTGRALIFTJAEEK-QGZVFWFLSA-N 1 0 382.917 2.560 20 0 GFADRO CC[C@H]([NH3+])CNC(=O)N[C@H](C)c1nc(-c2ccc(Br)cc2)no1 ZINC000417898891 563890892 /nfs/dbraw/zinc/89/08/92/563890892.db2.gz SALZMOJJAWBNHQ-SKDRFNHKSA-N 1 0 382.262 2.597 20 0 GFADRO COc1ccc(Br)c(C(=O)NCCC[NH2+][C@H]2COC(C)(C)C2)c1 ZINC000417893636 563891102 /nfs/dbraw/zinc/89/11/02/563891102.db2.gz FAXRBNFFEHBVAW-GFCCVEGCSA-N 1 0 385.302 2.735 20 0 GFADRO CN1CCC([N@@H+]2CC[C@@H](NC(=O)CCc3ccccc3Br)C2)CC1 ZINC000369275054 563891355 /nfs/dbraw/zinc/89/13/55/563891355.db2.gz UYTUWVGPQLYZAH-MRXNPFEDSA-N 1 0 394.357 2.666 20 0 GFADRO CCC(=O)N1CC[C@H]([NH2+]Cc2ccc(F)cc2I)C1 ZINC000417939857 563892220 /nfs/dbraw/zinc/89/22/20/563892220.db2.gz WSKXGYAQSJFHFK-LBPRGKRZSA-N 1 0 376.213 2.531 20 0 GFADRO OC[C@H]([NH2+]Cc1ccc(Br)c(Br)c1)[C@@H]1CCCO1 ZINC000447984155 563892279 /nfs/dbraw/zinc/89/22/79/563892279.db2.gz WPWDYRHXBMAFRS-STQMWFEESA-N 1 0 379.092 2.841 20 0 GFADRO O=C(NCCCOc1ncc(C(F)(F)F)cc1Cl)NC[C@@H]1CCC[NH2+]1 ZINC000417965396 563892980 /nfs/dbraw/zinc/89/29/80/563892980.db2.gz RLVNJEHFPPHEGU-NSHDSACASA-N 1 0 380.798 2.574 20 0 GFADRO C[NH+](C)C[C@H]1CCN(C(=O)[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C1 ZINC000369339240 563893024 /nfs/dbraw/zinc/89/30/24/563893024.db2.gz VIBOETTYIZHLEO-TZMCWYRMSA-N 1 0 384.307 2.756 20 0 GFADRO C[NH2+][C@H]1CCN(C(=O)NCCCOc2ncc(C(F)(F)F)cc2Cl)C1 ZINC000417967292 563893142 /nfs/dbraw/zinc/89/31/42/563893142.db2.gz VERGFVKCICFTIO-NSHDSACASA-N 1 0 380.798 2.526 20 0 GFADRO COc1cc(Br)ccc1CCCNC(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000417998661 563894009 /nfs/dbraw/zinc/89/40/09/563894009.db2.gz HIXJOWZTJXNYHB-ZBFHGGJFSA-N 1 0 396.329 2.784 20 0 GFADRO CC(C)C[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2ccc(C(F)(F)F)cn2)C1 ZINC000448160128 563894490 /nfs/dbraw/zinc/89/44/90/563894490.db2.gz OIULITHNVLYAKI-ZDUSSCGKSA-N 1 0 379.448 2.747 20 0 GFADRO CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000418000604 563894680 /nfs/dbraw/zinc/89/46/80/563894680.db2.gz WUFAOFKYKWLERE-APYUEPQZSA-N 1 0 384.318 2.822 20 0 GFADRO CN(CC[NH3+])C(=O)NCCOc1c(Cl)cc(Br)cc1Cl ZINC000418009499 563894906 /nfs/dbraw/zinc/89/49/06/563894906.db2.gz RXVSJAFELOYZDV-UHFFFAOYSA-N 1 0 385.089 2.735 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)NCCc2c[nH]c3ccc(Br)cc23)C1 ZINC000418009297 563895073 /nfs/dbraw/zinc/89/50/73/563895073.db2.gz UKHGLJNJVOVKDM-DGCLKSJQSA-N 1 0 379.302 2.852 20 0 GFADRO C[C@@H]1CCN(C(=O)NCc2cc(Br)cc3c2OCC3)[C@@H](C[NH3+])C1 ZINC000418011324 563895097 /nfs/dbraw/zinc/89/50/97/563895097.db2.gz KQCOWNQPQYXFKH-IAQYHMDHSA-N 1 0 382.302 2.653 20 0 GFADRO C[C@H]1C[C@@H](NC(=O)NCCc2c[nH]c3ccc(Br)cc23)CC[NH2+]1 ZINC000418004697 563895117 /nfs/dbraw/zinc/89/51/17/563895117.db2.gz OMACCXHJZYXNDT-FZMZJTMJSA-N 1 0 379.302 2.913 20 0 GFADRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)NCCc1c[nH]c2ccc(Br)cc12 ZINC000418013142 563895455 /nfs/dbraw/zinc/89/54/55/563895455.db2.gz YRCGRDLMCVNVJK-RYUDHWBXSA-N 1 0 379.302 2.852 20 0 GFADRO Cc1cc(Br)cn2cc(CNC(=O)N[C@@H]3CCCC[C@@H]3C[NH3+])nc12 ZINC000418021984 563895572 /nfs/dbraw/zinc/89/55/72/563895572.db2.gz QKHPPLPNMPFHFS-IUODEOHRSA-N 1 0 394.317 2.722 20 0 GFADRO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)Nc1cccc(Br)c1 ZINC000448326471 563895872 /nfs/dbraw/zinc/89/58/72/563895872.db2.gz ABFVGZOQKURBKX-CQSZACIVSA-N 1 0 382.302 2.624 20 0 GFADRO CCCOC[C@@H](Cc1cccc(Br)c1)NC(=O)N1CCC[C@@H]([NH3+])C1 ZINC000418025126 563895912 /nfs/dbraw/zinc/89/59/12/563895912.db2.gz FPAQVOANDOSORL-IAGOWNOFSA-N 1 0 398.345 2.920 20 0 GFADRO CCCOC[C@H](Cc1cccc(Br)c1)NC(=O)N1CC[C@@H](C[NH3+])C1 ZINC000418025147 563896092 /nfs/dbraw/zinc/89/60/92/563896092.db2.gz FQCQLZGIDLVEJH-RDJZCZTQSA-N 1 0 398.345 2.777 20 0 GFADRO Cc1cc(Br)cn2cc(CNC(=O)N(C)CC[C@H]([NH3+])C(C)C)nc12 ZINC000418023692 563896151 /nfs/dbraw/zinc/89/61/51/563896151.db2.gz MHSVQUSTGQBZCY-HNNXBMFYSA-N 1 0 396.333 2.920 20 0 GFADRO CO[C@H]1COCC[C@@H]1C[NH2+]Cc1ccc(F)cc1I ZINC000418074150 563897810 /nfs/dbraw/zinc/89/78/10/563897810.db2.gz NDNQNCPJVIAWCG-RISCZKNCSA-N 1 0 379.213 2.571 20 0 GFADRO COc1cc(Br)ccc1[C@H](C)NC(=O)N[C@H](CC[NH3+])C(F)F ZINC000418073588 563897819 /nfs/dbraw/zinc/89/78/19/563897819.db2.gz WYSCWQACINKQPK-GZMMTYOYSA-N 1 0 380.233 2.800 20 0 GFADRO [NH3+][C@H]1CCC[C@H](NC(=O)NCc2cnn(-c3ccc(Br)cc3)c2)C1 ZINC000418089013 563898451 /nfs/dbraw/zinc/89/84/51/563898451.db2.gz LKCNSXYAYFWRDQ-GJZGRUSLSA-N 1 0 392.301 2.704 20 0 GFADRO O=C(NCCC[NH+]1CCCC1)c1ccccc1-n1cc(Br)cn1 ZINC000448596989 563898654 /nfs/dbraw/zinc/89/86/54/563898654.db2.gz NDVOEWOMJSPYAB-UHFFFAOYSA-N 1 0 377.286 2.851 20 0 GFADRO O=C(N[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000418147551 563900003 /nfs/dbraw/zinc/90/00/03/563900003.db2.gz RCQLEVOEULIORL-JKIFEVAISA-N 1 0 383.323 2.538 20 0 GFADRO Cc1cc(CNC(=O)N[C@H](C)CCC[NH3+])ccc1I ZINC000418145955 563900040 /nfs/dbraw/zinc/90/00/40/563900040.db2.gz ZUYSVRKJJCELOA-LLVKDONJSA-N 1 0 375.254 2.526 20 0 GFADRO Cc1cc(CNC(=O)N[C@H](C)CCCC[NH3+])ccc1I ZINC000418144001 563900046 /nfs/dbraw/zinc/90/00/46/563900046.db2.gz RWVDUCMCSWJMBU-GFCCVEGCSA-N 1 0 389.281 2.916 20 0 GFADRO O=C(NCCCN1CC[NH2+]CC1)N[C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000418158427 563900492 /nfs/dbraw/zinc/90/04/92/563900492.db2.gz BYQCLPPEKTTWDR-SHTZXODSSA-N 1 0 385.339 2.834 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)c1ccccc1-n1cc(Br)cn1)C1CC1 ZINC000448744778 563900922 /nfs/dbraw/zinc/90/09/22/563900922.db2.gz CLFODRZAKOOBRW-MRXNPFEDSA-N 1 0 377.286 2.705 20 0 GFADRO Cc1ccc(Br)cc1CC(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1 ZINC000448908570 563902990 /nfs/dbraw/zinc/90/29/90/563902990.db2.gz GQYUJUGSOKRJBP-KRWDZBQOSA-N 1 0 383.330 2.869 20 0 GFADRO Cc1ccc(C(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)c(Cl)c1Cl ZINC000448947540 563903445 /nfs/dbraw/zinc/90/34/45/563903445.db2.gz YFDIKOIYZPKLSD-UHFFFAOYSA-N 1 0 386.323 2.974 20 0 GFADRO COc1cc(Br)c(C(=O)N(C)[C@@H]2C[NH+]3CCC2CC3)cc1OC ZINC000448954745 563903889 /nfs/dbraw/zinc/90/38/89/563903889.db2.gz LHNBMNYWINCMTM-CQSZACIVSA-N 1 0 383.286 2.633 20 0 GFADRO O=C(CC[NH2+]C1CC(c2ccc(Br)cc2F)C1)N1CCOCC1 ZINC000449094011 563906452 /nfs/dbraw/zinc/90/64/52/563906452.db2.gz YCAXROWBMZXYRU-UHFFFAOYSA-N 1 0 385.277 2.673 20 0 GFADRO COCC(=O)N1CCC([NH2+][C@H]2CCc3c2ccc(F)c3Br)CC1 ZINC000449130678 563906771 /nfs/dbraw/zinc/90/67/71/563906771.db2.gz HFFRZHYFWAHCJF-HNNXBMFYSA-N 1 0 385.277 2.803 20 0 GFADRO O=C(C1CCC1)N1CCN(CC[NH2+]Cc2cccc(Br)c2F)CC1 ZINC000449147696 563907350 /nfs/dbraw/zinc/90/73/50/563907350.db2.gz HWZBHBLREQJSSZ-UHFFFAOYSA-N 1 0 398.320 2.622 20 0 GFADRO CS(=O)(=O)c1cccc(C[NH2+]CC2(N3CCSCC3)CCCCC2)c1 ZINC000449143158 563907517 /nfs/dbraw/zinc/90/75/17/563907517.db2.gz VXTPIGVGJZCCLM-UHFFFAOYSA-N 1 0 382.595 2.931 20 0 GFADRO CS(=O)(=O)c1cccc(C[NH2+]C[C@@H](CO)Cc2c(F)cccc2Cl)c1 ZINC000449176127 563907870 /nfs/dbraw/zinc/90/78/70/563907870.db2.gz SCLMIQIFHSTDDM-AWEZNQCLSA-N 1 0 385.888 2.823 20 0 GFADRO CS(=O)(=O)c1cccc(C[NH2+]CCOc2ncc(Cl)cc2Cl)c1 ZINC000449190066 563907874 /nfs/dbraw/zinc/90/78/74/563907874.db2.gz QBXUACDCJKPJLC-UHFFFAOYSA-N 1 0 375.277 2.961 20 0 GFADRO Cc1cc(S(=O)(=O)N2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)sc1C ZINC000538004061 564179202 /nfs/dbraw/zinc/17/92/02/564179202.db2.gz HZSKYANJGFFDQF-IYBDPMFKSA-N 1 0 385.599 2.544 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[N@H+](C)[C@@H]1CCCOC1 ZINC000449314744 564179601 /nfs/dbraw/zinc/17/96/01/564179601.db2.gz DYXOAKKMSARZIB-SWLSCSKDSA-N 1 0 385.302 2.573 20 0 GFADRO C[C@H](C[N@@H+]1CCC[C@@H](CNS(C)(=O)=O)C1)c1cccc(Br)c1 ZINC000505302786 564180086 /nfs/dbraw/zinc/18/00/86/564180086.db2.gz ZICNUARMYAFCIC-KGLIPLIRSA-N 1 0 389.359 2.814 20 0 GFADRO CS(=O)(=O)N[C@@H]1CCCC[C@@H]1C[NH2+][C@H]1CCc2cc(F)c(F)c(F)c21 ZINC000449322252 564180463 /nfs/dbraw/zinc/18/04/63/564180463.db2.gz OPWZFLBCMQXKBL-BNOWGMLFSA-N 1 0 376.444 2.789 20 0 GFADRO COC[C@](C)(O)CC[NH2+][C@H](C)CCc1ccc(I)cc1 ZINC000449386849 564182855 /nfs/dbraw/zinc/18/28/55/564182855.db2.gz VMKBGCPXOCPOPH-CZUORRHYSA-N 1 0 391.293 2.989 20 0 GFADRO COCCCOc1cccc(C[NH2+]CCn2cc(Br)ccc2=O)c1 ZINC000449375893 564183194 /nfs/dbraw/zinc/18/31/94/564183194.db2.gz JTRNWSMDUWLBIA-UHFFFAOYSA-N 1 0 395.297 2.816 20 0 GFADRO CCC(CC)[C@H]([NH2+]CC(=O)N(CC)[C@H]1CCS(=O)(=O)C1)c1cccs1 ZINC000538177501 564184675 /nfs/dbraw/zinc/18/46/75/564184675.db2.gz WYWKKLCJDBYNNJ-YJBOKZPZSA-N 1 0 386.583 2.851 20 0 GFADRO CC[C@@H]1[C@H](CO)CC[N@@H+]1Cc1cc(Br)ccc1O[C@H](C)C(=O)NC ZINC000449419004 564185325 /nfs/dbraw/zinc/18/53/25/564185325.db2.gz GJOSQBCCFSXXRD-DVOMOZLQSA-N 1 0 399.329 2.555 20 0 GFADRO COc1cc(C[NH2+][C@@H]2CCOC2(C)C)cc(I)c1OC ZINC000449413835 564186048 /nfs/dbraw/zinc/18/60/48/564186048.db2.gz IPLJUHXXQMOQIL-CYBMUJFWSA-N 1 0 391.249 2.966 20 0 GFADRO C[NH+](C)CC1(CNC(=O)[C@@H]2Cc3cc(Br)ccc3O2)CCCC1 ZINC000471124958 564186290 /nfs/dbraw/zinc/18/62/90/564186290.db2.gz OHGIXZJFIBFRGL-INIZCTEOSA-N 1 0 381.314 2.991 20 0 GFADRO C[C@H](NC(=O)c1cc[nH]c(=O)c1Br)[C@H](c1ccccc1)[NH+](C)C ZINC000505597378 564186345 /nfs/dbraw/zinc/18/63/45/564186345.db2.gz SFUUAWWIAZWBES-XHDPSFHLSA-N 1 0 378.270 2.971 20 0 GFADRO C[NH+](C)CCN(C(=O)c1ccn(-c2cccc(Br)c2)n1)C1CC1 ZINC000505660256 564187348 /nfs/dbraw/zinc/18/73/48/564187348.db2.gz LIJAQWFIRFEAQG-UHFFFAOYSA-N 1 0 377.286 2.801 20 0 GFADRO C[N@@H+]1CCC[C@]2(CCN(C(=O)COc3ccc(F)cc3Br)C2)C1 ZINC000505655936 564187665 /nfs/dbraw/zinc/18/76/65/564187665.db2.gz LGZHSRZBMHREQU-KRWDZBQOSA-N 1 0 385.277 2.911 20 0 GFADRO CO[C@@H]1COCC[C@H]1C[NH2+]Cc1cc(Br)c2c(c1)OCCCO2 ZINC000449459533 564188094 /nfs/dbraw/zinc/18/80/94/564188094.db2.gz QKWNLHSDGWETAD-XJKSGUPXSA-N 1 0 386.286 2.752 20 0 GFADRO Cc1sc(C(=O)NCc2ccccc2C[NH+](C)C)cc1CS(C)(=O)=O ZINC000471173965 564188383 /nfs/dbraw/zinc/18/83/83/564188383.db2.gz VTAJAQFRFOIXGZ-UHFFFAOYSA-N 1 0 380.535 2.593 20 0 GFADRO CCOCCOc1ccc(Br)cc1C[NH2+][C@H]1CC(=O)N(CC)C1 ZINC000449517983 564189851 /nfs/dbraw/zinc/18/98/51/564189851.db2.gz LWPXJPKDCCXKGV-HNNXBMFYSA-N 1 0 385.302 2.575 20 0 GFADRO C[C@H]1C[C@@H](NC(=O)C2(c3cccc(Br)c3)CC(=O)C2)C[N@@H+]1C1CC1 ZINC000538388511 564190138 /nfs/dbraw/zinc/19/01/38/564190138.db2.gz GAJLYVZGVSVSPB-SWLSCSKDSA-N 1 0 391.309 2.791 20 0 GFADRO Cc1ccc(O)c(C[NH2+]C[C@@H](CO)Cc2cc(Br)ccc2F)n1 ZINC000449604294 564191989 /nfs/dbraw/zinc/19/19/89/564191989.db2.gz XFTVBXNCQHVADZ-LBPRGKRZSA-N 1 0 383.261 2.938 20 0 GFADRO CN(C(=O)Nc1ccc(CCn2cc(Br)cn2)cc1)[C@@H]1CC[NH2+]C1 ZINC000563470495 564192263 /nfs/dbraw/zinc/19/22/63/564192263.db2.gz VSHUBWOVQMCKNZ-MRXNPFEDSA-N 1 0 392.301 2.714 20 0 GFADRO COC(=O)C1CC[NH+](CCCNC(=O)c2ccsc2Br)CC1 ZINC000449623357 564193020 /nfs/dbraw/zinc/19/30/20/564193020.db2.gz IKEWMXOGZXVYIS-UHFFFAOYSA-N 1 0 389.315 2.516 20 0 GFADRO Cn1cc(I)c(C[NH2+][C@@H]2CCC[C@H]([C@@H]3CCOC3)C2)n1 ZINC000449607229 564193219 /nfs/dbraw/zinc/19/32/19/564193219.db2.gz WXBUDZMGTQHTTN-YNEHKIRRSA-N 1 0 389.281 2.710 20 0 GFADRO CC(C)Oc1cc(Br)cc(C(=O)N2CCN(CC[NH+](C)C)CC2)c1 ZINC000471390894 564193778 /nfs/dbraw/zinc/19/37/78/564193778.db2.gz HXQLPHYNMCZFQQ-UHFFFAOYSA-N 1 0 398.345 2.556 20 0 GFADRO CC[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)NC[C@](C)(O)C[NH+](C)C ZINC000506111371 564195922 /nfs/dbraw/zinc/19/59/22/564195922.db2.gz DAOABEMAHCPKML-PBHICJAKSA-N 1 0 376.328 2.926 20 0 GFADRO Cc1c(Br)cccc1C[C@H](CO)C[NH2+]Cc1cccc(C(N)=O)c1 ZINC000449680098 564195950 /nfs/dbraw/zinc/19/59/50/564195950.db2.gz FWGWSRBGSZWSJY-HNNXBMFYSA-N 1 0 391.309 2.797 20 0 GFADRO COC(=O)c1ccc(C[N@H+](CCO)C2CCSCC2)c(Br)c1 ZINC000449682967 564196081 /nfs/dbraw/zinc/19/60/81/564196081.db2.gz IMOJYQXFBWPHKP-UHFFFAOYSA-N 1 0 388.327 2.926 20 0 GFADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+]CCC[C@H]1CCOC1 ZINC000449690361 564196755 /nfs/dbraw/zinc/19/67/55/564196755.db2.gz OXONMZDUPLBWPD-KGLIPLIRSA-N 1 0 399.329 2.869 20 0 GFADRO Cc1c(Br)cccc1C[C@H](CO)C[NH2+]Cc1cnc(N(C)C)nc1 ZINC000449685802 564197104 /nfs/dbraw/zinc/19/71/04/564197104.db2.gz TYSBKXZPYSSYAQ-AWEZNQCLSA-N 1 0 393.329 2.554 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)NCc1ccc(C[S@](C)=O)cc1)c1cccs1 ZINC000506159082 564197355 /nfs/dbraw/zinc/19/73/55/564197355.db2.gz FBAUDGLXFCHBFH-CPJLOUKISA-N 1 0 379.551 2.729 20 0 GFADRO Cc1cc(C(=O)N[C@H]2CC[C@@H](C[NH3+])C2)nn1-c1ccc(Br)cc1 ZINC000449717121 564198116 /nfs/dbraw/zinc/19/81/16/564198116.db2.gz DHQHSNZABZKQPD-OCCSQVGLSA-N 1 0 377.286 2.800 20 0 GFADRO [NH3+]CC[C@@H](NC(=O)c1cc(-c2ccc(Br)cc2)n[nH]1)C(F)(F)F ZINC000449723450 564198643 /nfs/dbraw/zinc/19/86/43/564198643.db2.gz RIJBTVFFDJVQKF-GFCCVEGCSA-N 1 0 391.191 2.849 20 0 GFADRO CN(Cc1ccccc1Br)C(=O)CC[NH2+]C[C@](C)(O)C(F)(F)F ZINC000563618216 564199252 /nfs/dbraw/zinc/19/92/52/564199252.db2.gz PAWFPKPKFOABHV-AWEZNQCLSA-N 1 0 397.235 2.701 20 0 GFADRO CC1(C)Cc2ccc(Br)cc2[C@H]1NC(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000563606070 564199330 /nfs/dbraw/zinc/19/93/30/564199330.db2.gz SONLZDJLCSHIQJ-GDBMZVCRSA-N 1 0 396.329 2.750 20 0 GFADRO C[C@H](C[NH+]1CCCCC1)NC(=O)NCCCCn1cc(Br)cn1 ZINC000471621055 564200240 /nfs/dbraw/zinc/20/02/40/564200240.db2.gz RXQGNBAJEOZTSL-CQSZACIVSA-N 1 0 386.338 2.599 20 0 GFADRO CC1CC[NH+](CCCNC(=O)[C@@H]2Cc3cc(Br)ccc3O2)CC1 ZINC000471624923 564200748 /nfs/dbraw/zinc/20/07/48/564200748.db2.gz FAVHYNCEQDTSPH-KRWDZBQOSA-N 1 0 381.314 2.991 20 0 GFADRO C[NH+](C)CCOCCNC(=O)NCCOc1c(Cl)cc(Cl)cc1Cl ZINC000471641294 564201776 /nfs/dbraw/zinc/20/17/76/564201776.db2.gz FFCPMKGOKONNFF-UHFFFAOYSA-N 1 0 398.718 2.903 20 0 GFADRO CCOCC[NH+]1CCN(Cc2cc(Br)c3c(c2)OCCCO3)CC1 ZINC000506499140 564203005 /nfs/dbraw/zinc/20/30/05/564203005.db2.gz JOMMDBQAOGQNOL-UHFFFAOYSA-N 1 0 399.329 2.765 20 0 GFADRO C[N@H+](CCNC(=O)c1cc(I)ccc1Cl)C1CC1 ZINC000471800773 564205107 /nfs/dbraw/zinc/20/51/07/564205107.db2.gz XHCLCDGWNUPNCI-UHFFFAOYSA-N 1 0 378.641 2.769 20 0 GFADRO C[C@@H]([NH2+]C[C@@H](O)COc1ccc2c(c1)OCO2)c1cncc(Br)c1 ZINC000563731833 564205132 /nfs/dbraw/zinc/20/51/32/564205132.db2.gz MISNLLCPOJWQGV-BXUZGUMPSA-N 1 0 395.253 2.663 20 0 GFADRO CCNS(=O)(=O)[C@H]1CC[N@H+](CC/C=C/c2ccc(Br)cc2)C1 ZINC000538902053 564205670 /nfs/dbraw/zinc/20/56/70/564205670.db2.gz IEBFBGXHPIXDCS-WMHVBEDNSA-N 1 0 387.343 2.866 20 0 GFADRO CCOC[C@H](O)C[N@@H+]1CCC[C@@H]1c1ccccc1I ZINC000506598015 564205840 /nfs/dbraw/zinc/20/58/40/564205840.db2.gz XEPYVTQJALXFBB-IUODEOHRSA-N 1 0 375.250 2.826 20 0 GFADRO C[C@@H](CCc1ccc(Cl)s1)[NH2+]CCS(=O)(=O)NC[C@H]1CCCCO1 ZINC000539080763 564208902 /nfs/dbraw/zinc/20/89/02/564208902.db2.gz QDYPUTVIVLHCRN-UONOGXRCSA-N 1 0 394.990 2.801 20 0 GFADRO CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC000539139371 564211243 /nfs/dbraw/zinc/21/12/43/564211243.db2.gz MFFHJNCKSAPIOY-KEYYUXOJSA-N 1 0 399.329 2.610 20 0 GFADRO COC(=O)[C@@H](NC(=O)C[NH2+]C1(c2cccc(Br)c2)CCC1)C(C)C ZINC000563919261 564212607 /nfs/dbraw/zinc/21/26/07/564212607.db2.gz PPGINGGSKVUDER-INIZCTEOSA-N 1 0 397.313 2.732 20 0 GFADRO C[C@H]1CCC[N@H+](CCNCc2cn(-c3ccccc3Br)nn2)C1 ZINC000563920055 564212647 /nfs/dbraw/zinc/21/26/47/564212647.db2.gz TXCJOAAPPFNUNZ-AWEZNQCLSA-N 1 0 378.318 2.851 20 0 GFADRO C[C@H]1CC[N@H+](C)CCN1C(=O)c1cc(F)c(F)cc1I ZINC000472087964 564212736 /nfs/dbraw/zinc/21/27/36/564212736.db2.gz KHOLBHISSSCNPB-VIFPVBQESA-N 1 0 394.203 2.736 20 0 GFADRO CCC[N@H+](CC)CCNC(=O)COc1ccc(I)cc1 ZINC000472213741 564216198 /nfs/dbraw/zinc/21/61/98/564216198.db2.gz JTOWARFTXHNTCK-UHFFFAOYSA-N 1 0 390.265 2.518 20 0 GFADRO CC[NH+](CC)CCO[C@@H]1CCN(CC(=O)N(C)Cc2ccc(Cl)s2)C1 ZINC000472292547 564219266 /nfs/dbraw/zinc/21/92/66/564219266.db2.gz IOJBUJWFKHFBDA-OAHLLOKOSA-N 1 0 387.977 2.793 20 0 GFADRO CS[C@H]1CN(CC(=O)NCCc2cccc(Cl)c2Cl)C[C@@H]1[NH+](C)C ZINC000539493600 564220863 /nfs/dbraw/zinc/22/08/63/564220863.db2.gz OYIIUSXLHIAEHP-GJZGRUSLSA-N 1 0 390.380 2.630 20 0 GFADRO Cc1cc(S(=O)(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)c(C)cc1Br ZINC000472323154 564220862 /nfs/dbraw/zinc/22/08/62/564220862.db2.gz SYRQLWMGMKTGNE-QWHCGFSZSA-N 1 0 387.343 2.969 20 0 GFADRO CS[C@H]1CN(CC(=O)NCCc2cccc(Cl)c2Cl)C[C@H]1[NH+](C)C ZINC000539493599 564221157 /nfs/dbraw/zinc/22/11/57/564221157.db2.gz OYIIUSXLHIAEHP-CABCVRRESA-N 1 0 390.380 2.630 20 0 GFADRO CC(C)[NH+]1CCC(O)(CNC(=O)[C@H](C)Oc2cccc(Br)c2)CC1 ZINC000472438192 564223810 /nfs/dbraw/zinc/22/38/10/564223810.db2.gz FWSWXKGCUIXGLY-AWEZNQCLSA-N 1 0 399.329 2.568 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)C(=O)N[C@@H](c1nccn1C)C1CC1 ZINC000507448603 564228735 /nfs/dbraw/zinc/22/87/35/564228735.db2.gz KPVAXUSJFJKORV-CQSZACIVSA-N 1 0 391.269 2.697 20 0 GFADRO CC[NH+]1CCN([C@@H](C)CNC(=O)c2c(C)c(C)sc2Br)CC1 ZINC000507515758 564230642 /nfs/dbraw/zinc/23/06/42/564230642.db2.gz GQMPRWOIFJCUDX-NSHDSACASA-N 1 0 388.375 2.883 20 0 GFADRO COCCOC[C@H](O)C[N@H+](C)[C@@H]1CCSc2ccc(Br)cc21 ZINC000450387679 564230812 /nfs/dbraw/zinc/23/08/12/564230812.db2.gz GZSVJUIUQZAPNK-UKRRQHHQSA-N 1 0 390.343 2.942 20 0 GFADRO CN(CC[N@H+](C)C1CC1)S(=O)(=O)Cc1ccc(Cl)cc1Br ZINC000472686083 564230820 /nfs/dbraw/zinc/23/08/20/564230820.db2.gz NKTUDGGWEOZDPB-UHFFFAOYSA-N 1 0 395.750 2.958 20 0 GFADRO CC[NH+](CC)CC[C@@H](CO)NC(=O)c1ccc(Br)cc1Cl ZINC000539920110 564232456 /nfs/dbraw/zinc/23/24/56/564232456.db2.gz FEBVYNGKRVBYPS-LBPRGKRZSA-N 1 0 377.710 2.925 20 0 GFADRO CCC1CCC([N@H+](C)CC(=O)Nc2cc(S(N)(=O)=O)ccc2Cl)CC1 ZINC000472761325 564232913 /nfs/dbraw/zinc/23/29/13/564232913.db2.gz FFWNOXXOAOZIII-UHFFFAOYSA-N 1 0 387.933 2.827 20 0 GFADRO Cc1cc(OC[C@H](O)C[NH2+][C@H]2CCCS(=O)(=O)C2)c(C(C)C)cc1Cl ZINC000564445015 564234412 /nfs/dbraw/zinc/23/44/12/564234412.db2.gz ZBSSXXZWYSKDFW-LSDHHAIUSA-N 1 0 389.945 2.678 20 0 GFADRO CC[NH+]1CCN(CCC(=O)N[C@@H](C)c2ccc(F)c(Br)c2)CC1 ZINC000507661115 564237903 /nfs/dbraw/zinc/23/79/03/564237903.db2.gz QTPLXUJXLNVXKN-ZDUSSCGKSA-N 1 0 386.309 2.793 20 0 GFADRO CCOc1ccccc1Nc1nnc(SC[C@H](O)C[N@H+](C)C2CC2)s1 ZINC000564561963 564239381 /nfs/dbraw/zinc/23/93/81/564239381.db2.gz PBEUVJZXOQSVNP-CYBMUJFWSA-N 1 0 380.539 3.228 20 0 GFADRO COCCC[C@H]([NH2+]C[C@H](C)S(C)(=O)=O)c1ccc(Br)cc1 ZINC000540140949 564240025 /nfs/dbraw/zinc/24/00/25/564240025.db2.gz BLLISNWFKSKXMB-WFASDCNBSA-N 1 0 378.332 2.940 20 0 GFADRO C[C@H]([NH2+]CC1CCN(S(C)(=O)=O)CC1)c1ccc(Br)c(F)c1 ZINC000540141322 564240444 /nfs/dbraw/zinc/24/04/44/564240444.db2.gz IZKFBUWVQGAUAG-NSHDSACASA-N 1 0 393.322 2.910 20 0 GFADRO C[NH+](C)CCn1nccc1NC(=O)[C@H]1C[C@@H]1c1ccc(Br)cc1 ZINC000564603900 564240576 /nfs/dbraw/zinc/24/05/76/564240576.db2.gz QUBVSONYUSCJDT-CABCVRRESA-N 1 0 377.286 2.949 20 0 GFADRO CCN(C(=O)c1c(Br)cnn1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000450609220 564240924 /nfs/dbraw/zinc/24/09/24/564240924.db2.gz KHLAWLLGBHOEMK-HNNXBMFYSA-N 1 0 391.313 2.919 20 0 GFADRO COc1cccc2c1CC[C@H]2[NH2+]CCNS(=O)(=O)c1cc(C)sc1C ZINC000540148306 564241004 /nfs/dbraw/zinc/24/10/04/564241004.db2.gz YLAYQUWCQNAEHL-MRXNPFEDSA-N 1 0 380.535 2.929 20 0 GFADRO CS(=O)(=O)c1cccc(Cl)c1C[NH2+][C@@H]1CCC[C@@H](N2CCCC2=O)C1 ZINC000564665554 564244703 /nfs/dbraw/zinc/24/47/03/564244703.db2.gz BOUHXYXOMNHURE-ZIAGYGMSSA-N 1 0 384.929 2.767 20 0 GFADRO C[C@@H]1[C@@H](NC(=O)c2ccccc2-n2cc(Br)cn2)CCC[N@@H+]1C ZINC000450800839 564248604 /nfs/dbraw/zinc/24/86/04/564248604.db2.gz VUWBOFDGQHXXKI-DOMZBBRYSA-N 1 0 377.286 2.847 20 0 GFADRO O=C(C[NH2+][C@@H](c1ccc(Cl)c(C(F)(F)F)c1)C1CC1)N1CCNC1=O ZINC000540519934 564250639 /nfs/dbraw/zinc/25/06/39/564250639.db2.gz OUKDOYQDLTWJTH-CQSZACIVSA-N 1 0 375.778 2.951 20 0 GFADRO C[C@@H]1C[C@H]([NH2+]C[C@H](O)COc2cc(F)cc(Br)c2)c2nccn21 ZINC000564858390 564252876 /nfs/dbraw/zinc/25/28/76/564252876.db2.gz CEEWIIPYMFEBSO-DGFSRKRXSA-N 1 0 384.249 2.820 20 0 GFADRO CC[C@H](C)N(C)CC[NH2+]CCS(=O)(=O)c1cccc(Br)c1 ZINC000564848901 564252914 /nfs/dbraw/zinc/25/29/14/564252914.db2.gz OSHRSWPUZRQAGJ-ZDUSSCGKSA-N 1 0 377.348 2.543 20 0 GFADRO C[C@@H]1C[C@H]([NH2+]C[C@@H](O)COc2cc(F)cc(Br)c2)c2nccn21 ZINC000564858395 564253416 /nfs/dbraw/zinc/25/34/16/564253416.db2.gz CEEWIIPYMFEBSO-YVLXSGLVSA-N 1 0 384.249 2.820 20 0 GFADRO O[C@@H](C[NH2+]CCC[C@@H]1CCOC1)COc1cc(F)cc(Br)c1 ZINC000564859613 564253621 /nfs/dbraw/zinc/25/36/21/564253621.db2.gz HLWAIEWQWIWMQE-DOMZBBRYSA-N 1 0 376.266 2.734 20 0 GFADRO CN(C)c1ncc(Br)cc1C(=O)NCCCCC[NH+]1CCCC1 ZINC000508107455 564254773 /nfs/dbraw/zinc/25/47/73/564254773.db2.gz UTNVICKRBORQGW-UHFFFAOYSA-N 1 0 383.334 2.906 20 0 GFADRO Cn1c(-c2ccccc2Br)nnc1N1CC[NH+](C2CCC2)CC1 ZINC000508142351 564256602 /nfs/dbraw/zinc/25/66/02/564256602.db2.gz QAXJNSYWAJPCRS-UHFFFAOYSA-N 1 0 376.302 2.919 20 0 GFADRO O=C1N[C@@]2(CCC[NH2+]C2)C(=O)N1Cc1cccc2c(Br)cccc12 ZINC000564925548 564257964 /nfs/dbraw/zinc/25/79/64/564257964.db2.gz CUINXQZXDCPHJQ-GOSISDBHSA-N 1 0 388.265 2.776 20 0 GFADRO CO[C@@H](C[NH3+])CC(=O)N[C@H](Cc1ccccn1)c1ccc(Br)cc1 ZINC000564936002 564258245 /nfs/dbraw/zinc/25/82/45/564258245.db2.gz IJWKRBAFZMJDPW-IAGOWNOFSA-N 1 0 392.297 2.608 20 0 GFADRO COc1cc(Br)cc(S(=O)(=O)N[C@H](C)C[NH+]2CCCCC2)c1 ZINC000473959988 564259570 /nfs/dbraw/zinc/25/95/70/564259570.db2.gz ZQRXDKJBAFIYEW-GFCCVEGCSA-N 1 0 391.331 2.610 20 0 GFADRO Cc1ccc(Br)cc1CC(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000450988765 564260459 /nfs/dbraw/zinc/26/04/59/564260459.db2.gz PCKKOSODPOZFQA-CQSZACIVSA-N 1 0 383.330 2.604 20 0 GFADRO CN(CCC(=O)NCCNc1cccc(Br)c1)c1cc[nH+]cc1 ZINC000540926166 564260491 /nfs/dbraw/zinc/26/04/91/564260491.db2.gz UZPWZKLLPQVKLF-UHFFFAOYSA-N 1 0 377.286 2.899 20 0 GFADRO O[C@@H](C[NH2+]C[C@@H](O)Cc1cccc(F)c1)COc1ccc(Br)cc1 ZINC000564974892 564261294 /nfs/dbraw/zinc/26/12/94/564261294.db2.gz DOSRDRPXNVAQID-IRXDYDNUSA-N 1 0 398.272 2.521 20 0 GFADRO Cc1c(CNc2ccc(CN3CC[NH+](C)CC3)c(Br)c2)cnn1C ZINC000474017270 564261535 /nfs/dbraw/zinc/26/15/35/564261535.db2.gz QJBOKPPUNLAUKI-UHFFFAOYSA-N 1 0 392.345 2.851 20 0 GFADRO O=C(N[C@@H]1COc2cc(F)c(Br)cc21)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000564993061 564261702 /nfs/dbraw/zinc/26/17/02/564261702.db2.gz NLTCBGRGELBFKM-JKSUJKDBSA-N 1 0 391.240 2.852 20 0 GFADRO CO[C@H]1CCN(C(=O)Cc2csc(-c3ccccc3Cl)n2)[C@H](C[NH3+])C1 ZINC000565039898 564263908 /nfs/dbraw/zinc/26/39/08/564263908.db2.gz KUNPKXOTXBAQRI-KBPBESRZSA-N 1 0 379.913 2.971 20 0 GFADRO COC(=O)[C@H]1CC[C@H]1C(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000508535244 564266100 /nfs/dbraw/zinc/26/61/00/564266100.db2.gz RQJIAPLUXCGIDU-CVEARBPZSA-N 1 0 397.313 2.539 20 0 GFADRO C[NH+](C)CCCNC(=O)CSc1cc(Cl)c(N)cc1Br ZINC000451041479 564267024 /nfs/dbraw/zinc/26/70/24/564267024.db2.gz ANOSXWMXVJHOHP-UHFFFAOYSA-N 1 0 380.739 2.845 20 0 GFADRO C[N@@H+]1CCCC[C@@H]1CCC(=O)NC[C@@H](CO)Cc1ccccc1Br ZINC000508588129 564267706 /nfs/dbraw/zinc/26/77/06/564267706.db2.gz MRMHFAHGIYGZAD-DOTOQJQBSA-N 1 0 397.357 2.981 20 0 GFADRO COc1cc(C(F)(F)F)cc(S(=O)(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)c1 ZINC000451060491 564268680 /nfs/dbraw/zinc/26/86/80/564268680.db2.gz YGRYGKQQFJOGHE-GJZGRUSLSA-N 1 0 378.416 2.619 20 0 GFADRO Cc1ccc(CCC(=O)N2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)c(Br)c1 ZINC000474194817 564269249 /nfs/dbraw/zinc/26/92/49/564269249.db2.gz FYXKLODXSYKLFP-HNNXBMFYSA-N 1 0 397.357 2.994 20 0 GFADRO O=C(c1ncsc1Br)N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000565184533 564269979 /nfs/dbraw/zinc/26/99/79/564269979.db2.gz AJTIZNRIVGMUHJ-GFCCVEGCSA-N 1 0 388.331 2.623 20 0 GFADRO COCCOC[C@H](O)C[N@@H+]1CCCC[C@@H]1Cc1ccccc1Br ZINC000451085458 564271946 /nfs/dbraw/zinc/27/19/46/564271946.db2.gz ZIMDEFWFEFZHDA-IAGOWNOFSA-N 1 0 386.330 2.870 20 0 GFADRO O=C(c1ccccc1-n1cc(Br)cn1)N1CC[NH+]2CCC1CC2 ZINC000451100847 564274673 /nfs/dbraw/zinc/27/46/73/564274673.db2.gz YLSIOAKHBZCTGW-UHFFFAOYSA-N 1 0 375.270 2.555 20 0 GFADRO CC[NH+](CC)[C@H](CNS(=O)(=O)N1CCC1)c1ccc(C(F)(F)F)cc1 ZINC000508875820 564274990 /nfs/dbraw/zinc/27/49/90/564274990.db2.gz SNHCWPQONDOMIO-OAHLLOKOSA-N 1 0 379.448 2.628 20 0 GFADRO CC(=O)NC1CCC([N@H+](C)CC(=O)Nc2ccc(Br)cc2)CC1 ZINC000541314319 564275313 /nfs/dbraw/zinc/27/53/13/564275313.db2.gz BLMPLYSYOXBYPH-UHFFFAOYSA-N 1 0 382.302 2.767 20 0 GFADRO O=S(=O)(c1ccc(Cl)cc1Br)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000541386586 564276645 /nfs/dbraw/zinc/27/66/45/564276645.db2.gz QHRAUQFEBJUZBK-GFCCVEGCSA-N 1 0 393.734 2.961 20 0 GFADRO COc1cc(C[NH2+]CC[C@H]2CCOC2)cc(I)c1OC ZINC000541367412 564276764 /nfs/dbraw/zinc/27/67/64/564276764.db2.gz LFVHNGQUVFNWFF-NSHDSACASA-N 1 0 391.249 2.825 20 0 GFADRO C[NH2+][C@@H]1CCN(C(=O)NCCOc2ccc3cc(Br)ccc3c2)C1 ZINC000565353522 564276752 /nfs/dbraw/zinc/27/67/52/564276752.db2.gz TVJXOMXAHVGQCN-MRXNPFEDSA-N 1 0 392.297 2.984 20 0 GFADRO CCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cccc(C)c1Br ZINC000508984452 564277535 /nfs/dbraw/zinc/27/75/35/564277535.db2.gz FJEVNAJHKCKTAM-ZDUSSCGKSA-N 1 0 382.302 2.687 20 0 GFADRO CCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(Br)cc1C ZINC000508974089 564277663 /nfs/dbraw/zinc/27/76/63/564277663.db2.gz ANMKAMQYBHPVDK-AWEZNQCLSA-N 1 0 382.302 2.687 20 0 GFADRO C[N@H+](CCNS(=O)(=O)c1cccc(Br)c1F)C1CCCC1 ZINC000541389502 564277996 /nfs/dbraw/zinc/27/79/96/564277996.db2.gz LHBBJADQOIKCOF-UHFFFAOYSA-N 1 0 379.295 2.741 20 0 GFADRO Cc1cc(Br)cc(C)c1N1CCC[C@H]([N@@H+]2C[C@@H](C)[C@H](O)C2)C1=O ZINC000509022099 564279140 /nfs/dbraw/zinc/27/91/40/564279140.db2.gz JYXSDZGBPSKRAA-VNQPRFMTSA-N 1 0 381.314 2.874 20 0 GFADRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(S(=O)(=O)c2sccc2Cl)CC1 ZINC000451143961 564279972 /nfs/dbraw/zinc/27/99/72/564279972.db2.gz GYGXAUVWQLFWTM-KBPBESRZSA-N 1 0 391.990 2.581 20 0 GFADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)c2cn3cc(Cl)cc(Cl)c3n2)C1 ZINC000509047725 564280047 /nfs/dbraw/zinc/28/00/47/564280047.db2.gz CBJYGPXVIRHFQV-CYBMUJFWSA-N 1 0 385.295 2.728 20 0 GFADRO CC[C@@H](C)[N@H+](C)CCNS(=O)(=O)Cc1ccc(Br)c(F)c1 ZINC000451173728 564282258 /nfs/dbraw/zinc/28/22/58/564282258.db2.gz TVPBAYMIMFJANP-LLVKDONJSA-N 1 0 381.311 2.738 20 0 GFADRO C[N@@H+]1CC[C@H]2CCN(S(=O)(=O)c3ccc(Cl)cc3Br)[C@H]2C1 ZINC000541536895 564282518 /nfs/dbraw/zinc/28/25/18/564282518.db2.gz CDKAHGWXFTXKHM-GWCFXTLKSA-N 1 0 393.734 2.817 20 0 GFADRO O[C@H](C[NH2+]Cc1nc2c(cccc2Br)[nH]1)COCc1ccco1 ZINC000565475685 564282995 /nfs/dbraw/zinc/28/29/95/564282995.db2.gz CNIKZBNHFVSCFZ-LLVKDONJSA-N 1 0 380.242 2.586 20 0 GFADRO C[C@H]([NH2+]C[C@@H]1CCCCS1(=O)=O)c1ccc(I)cc1 ZINC000541570904 564284005 /nfs/dbraw/zinc/28/40/05/564284005.db2.gz KHEUKKFHIQANBI-FZMZJTMJSA-N 1 0 393.290 2.909 20 0 GFADRO Ic1cccc(C[C@H]2CC[N@H+](C[C@H]3COCCO3)C2)c1 ZINC000451193981 564285312 /nfs/dbraw/zinc/28/53/12/564285312.db2.gz QVPCSLGBVQGVMJ-ZBFHGGJFSA-N 1 0 387.261 2.571 20 0 GFADRO COC(=O)C(C)(C)CC[NH2+]CCC(=O)N(C)Cc1ccccc1Br ZINC000474707697 564287000 /nfs/dbraw/zinc/28/70/00/564287000.db2.gz DHVMJBXMDIQXNX-UHFFFAOYSA-N 1 0 399.329 2.977 20 0 GFADRO CC[NH+](CC)CCOCCNC(=O)Cc1cc(Br)ccc1F ZINC000541753005 564287248 /nfs/dbraw/zinc/28/72/48/564287248.db2.gz CWAMNYZITAJUGM-UHFFFAOYSA-N 1 0 375.282 2.605 20 0 GFADRO NC(=O)[C@H]1CCC[C@H]([NH2+]Cc2c(F)ccc(I)c2F)C1 ZINC000474821503 564289895 /nfs/dbraw/zinc/28/98/95/564289895.db2.gz LDGWZSLRXHVGIS-IUCAKERBSA-N 1 0 394.203 2.703 20 0 GFADRO CC(C)(C)C[C@@H](CO)[NH2+]C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000565658340 564290077 /nfs/dbraw/zinc/29/00/77/564290077.db2.gz NETMGOFDRNPIIK-KBPBESRZSA-N 1 0 378.282 2.715 20 0 GFADRO Cc1cc(Br)cn2cc(CNC(=O)N[C@@H]3CC[N@H+](C)[C@H](C)C3)nc12 ZINC000541841678 564291858 /nfs/dbraw/zinc/29/18/58/564291858.db2.gz ANPHVMYAISTPBH-TZMCWYRMSA-N 1 0 394.317 2.687 20 0 GFADRO C[NH+](C)C[C@@H]1CCCN1C(=O)c1cc(I)ccc1F ZINC000474867089 564292120 /nfs/dbraw/zinc/29/21/20/564292120.db2.gz GDTJZPMMAVENAA-NSHDSACASA-N 1 0 376.213 2.597 20 0 GFADRO CN(CCC(=O)NCc1cc2c(c(Br)c1)OCO2)c1cc[nH+]cc1 ZINC000541857175 564292606 /nfs/dbraw/zinc/29/26/06/564292606.db2.gz SRXNSEKPUNGTRK-UHFFFAOYSA-N 1 0 392.253 2.716 20 0 GFADRO C[C@@H]([NH2+]C1CC1)C(=O)Nc1cc(-c2cc(Br)ccc2Cl)[nH]n1 ZINC000565714428 564292725 /nfs/dbraw/zinc/29/27/25/564292725.db2.gz LXWOVOOONFGRRO-MRVPVSSYSA-N 1 0 383.677 3.572 20 0 GFADRO CNC(=O)[C@@H]([NH2+][C@H](C)CCc1ccc(I)cc1)C(C)C ZINC000474889486 564292852 /nfs/dbraw/zinc/29/28/52/564292852.db2.gz SCQGLWZVANENMQ-DOMZBBRYSA-N 1 0 388.293 2.973 20 0 GFADRO C[C@H]1CN(Cc2ccc(OC(F)(F)F)c(Br)c2)CC[N@@H+]1CCO ZINC000474933698 564293864 /nfs/dbraw/zinc/29/38/64/564293864.db2.gz NXHISPJZCRZLSM-NSHDSACASA-N 1 0 397.235 2.846 20 0 GFADRO CC[N@H+](CCNC(=O)c1cc(I)ccc1F)C(C)C ZINC000474930051 564294239 /nfs/dbraw/zinc/29/42/39/564294239.db2.gz DDDQFOQGYKIRNR-UHFFFAOYSA-N 1 0 378.229 2.890 20 0 GFADRO CC[NH+](CC)CCOC1CCN(S(=O)(=O)C[C@H]2CCCC2(F)F)CC1 ZINC000451269679 564294207 /nfs/dbraw/zinc/29/42/07/564294207.db2.gz HSRDUJYQPYDCML-OAHLLOKOSA-N 1 0 382.517 2.574 20 0 GFADRO COc1cc(Br)c(C(=O)NC[C@H]2CC[N@@H+](C(C)C)C2)cc1OC ZINC000565756245 564295011 /nfs/dbraw/zinc/29/50/11/564295011.db2.gz NXQROYXTDZUUDZ-GFCCVEGCSA-N 1 0 385.302 2.926 20 0 GFADRO C[C@H]1C[C@H](NC(=O)c2cc(I)ccc2F)C[N@@H+]1C1CC1 ZINC000474964900 564295644 /nfs/dbraw/zinc/29/56/44/564295644.db2.gz YQXSUSGGKOZKOD-ONGXEEELSA-N 1 0 388.224 2.785 20 0 GFADRO C[C@@H](NS(=O)(=O)Cc1ccc(Br)c(F)c1)C(C)(C)C[NH+](C)C ZINC000451294495 564296937 /nfs/dbraw/zinc/29/69/37/564296937.db2.gz HOHLZXLBZLWWNX-LLVKDONJSA-N 1 0 395.338 2.984 20 0 GFADRO COc1cc(C(F)(F)F)cc(S(=O)(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c1 ZINC000451297389 564298050 /nfs/dbraw/zinc/29/80/50/564298050.db2.gz NXMXUNDVHYTNOH-ZYHUDNBSSA-N 1 0 378.416 2.618 20 0 GFADRO CCOC(=O)[C@@](C)(O)C[NH+]1CCC(Oc2cccc(Br)c2)CC1 ZINC000475101135 564299222 /nfs/dbraw/zinc/29/92/22/564299222.db2.gz MFNVUCAXGXODPN-KRWDZBQOSA-N 1 0 386.286 2.606 20 0 GFADRO CCN(C)C(=O)[C@@H]([NH2+]CC(=O)N[C@@H](C)c1ccc(Br)cc1)C(C)C ZINC000451319252 564299752 /nfs/dbraw/zinc/29/97/52/564299752.db2.gz ZNVNCMVKIIKXAU-GUYCJALGSA-N 1 0 398.345 2.719 20 0 GFADRO CNC(=O)CN1CCC([NH2+][C@H]2CCCc3c(Br)cccc32)CC1 ZINC000542152368 564303093 /nfs/dbraw/zinc/30/30/93/564303093.db2.gz URYMASNTUOHBAO-KRWDZBQOSA-N 1 0 380.330 2.627 20 0 GFADRO O=C(C[NH2+][C@H](c1ccc(F)c(Cl)c1)C1CC1)NC(=O)NCC(F)(F)F ZINC000451351825 564303903 /nfs/dbraw/zinc/30/39/03/564303903.db2.gz GAMHOJZUZYRGPN-ZDUSSCGKSA-N 1 0 381.757 2.908 20 0 GFADRO [NH3+][C@@H]1CCC[C@H](CNC(=O)c2cnn(-c3cccc(Br)c3)c2)C1 ZINC000566004478 564306167 /nfs/dbraw/zinc/30/61/67/564306167.db2.gz AEIPMQZIEUNFCT-SWLSCSKDSA-N 1 0 377.286 2.882 20 0 GFADRO CC(=O)N1CCC[C@@H](C[NH2+]Cc2cnn(-c3ccc(Br)cc3)c2)C1 ZINC000475429277 564307963 /nfs/dbraw/zinc/30/79/63/564307963.db2.gz MJAPDCKEQBVBCB-HNNXBMFYSA-N 1 0 391.313 2.983 20 0 GFADRO C[C@H](Cc1cccc(Br)c1)NC(=O)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000566091253 564308614 /nfs/dbraw/zinc/30/86/14/564308614.db2.gz MZAUECVFSIMQGL-DYVFJYSZSA-N 1 0 391.313 2.931 20 0 GFADRO O=C(Cc1ccccc1Br)N1CC[C@H](OCC[NH+]2CCCC2)C1 ZINC000475454690 564309516 /nfs/dbraw/zinc/30/95/16/564309516.db2.gz ZIVQIZCFNGIDBU-INIZCTEOSA-N 1 0 381.314 2.705 20 0 GFADRO O[C@H](C[NH2+]CCn1cc(Br)cn1)COc1cccc2ccccc21 ZINC000566129266 564311974 /nfs/dbraw/zinc/31/19/74/564311974.db2.gz BNSDQJBQYFKGQT-MRXNPFEDSA-N 1 0 390.281 2.828 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)[C@@H]1C ZINC000509742819 564312043 /nfs/dbraw/zinc/31/20/43/564312043.db2.gz MOYSWRHYGGDLAQ-BBRMVZONSA-N 1 0 394.313 2.781 20 0 GFADRO CC[C@H]1[NH2+]CC[C@H]1C(=O)N1CCN(C(=O)c2cccc(Cl)c2Cl)CC1 ZINC000566167745 564313867 /nfs/dbraw/zinc/31/38/67/564313867.db2.gz JUAWVSKDILDJIK-IUODEOHRSA-N 1 0 384.307 2.666 20 0 GFADRO C[C@H]1c2c(Cl)cc(Cl)cc2CCN1C(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000566190341 564315652 /nfs/dbraw/zinc/31/56/52/564315652.db2.gz QUASPUYFMQKALQ-XHDPSFHLSA-N 1 0 384.307 2.697 20 0 GFADRO C[C@H](C[C@H](C)[NH3+])NC(=O)N1CCO[C@@H](c2ccc(F)c(Br)c2)C1 ZINC000566192963 564315668 /nfs/dbraw/zinc/31/56/68/564315668.db2.gz GCMAJZFUJAPEGF-FIXISWKDSA-N 1 0 388.281 2.797 20 0 GFADRO CCO[C@H]1C[C@]([NH3+])(C(=O)Nc2cnc3c(Br)cccn23)C1(C)C ZINC000566197349 564316204 /nfs/dbraw/zinc/31/62/04/564316204.db2.gz XEHUWFBTSNKCMO-ZBEGNZNMSA-N 1 0 381.274 2.568 20 0 GFADRO C[NH+]1CCN(Cc2ccc(NC(=O)[C@]3(C)CCOC3)cc2Br)CC1 ZINC000475747937 564318327 /nfs/dbraw/zinc/31/83/27/564318327.db2.gz GESAVSBWEQUFMR-GOSISDBHSA-N 1 0 396.329 2.562 20 0 GFADRO C[C@H]1C[NH2+]CC[C@H]1NS(=O)(=O)Cc1cc(Cl)ccc1Br ZINC000566228711 564318518 /nfs/dbraw/zinc/31/85/18/564318518.db2.gz KLDWVFQCGKWTPD-TVQRCGJNSA-N 1 0 381.723 2.520 20 0 GFADRO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1cc(F)c(I)c(F)c1 ZINC000566248391 564318840 /nfs/dbraw/zinc/31/88/40/564318840.db2.gz BVZXDQYKDUHKLS-KWQFWETISA-N 1 0 380.176 2.896 20 0 GFADRO CC(C)[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)N(C)[C@H]1CC[N@H+](C)C[C@H]1C ZINC000510010699 564321529 /nfs/dbraw/zinc/32/15/29/564321529.db2.gz QZAJUHMLXQXATH-DVOMOZLQSA-N 1 0 385.961 2.955 20 0 GFADRO O=C(N[C@H](CO)c1ccc(Br)c(F)c1)c1ccc2c[nH+]cn2c1 ZINC000566344790 564323477 /nfs/dbraw/zinc/32/34/77/564323477.db2.gz BQTVXSKPPLKWDH-OAHLLOKOSA-N 1 0 378.201 2.699 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)C(=O)c1ccc(Br)cc1)Cc1ccccc1 ZINC000510106671 564325290 /nfs/dbraw/zinc/32/52/90/564325290.db2.gz QUXCVSDGLJAZJY-QGZVFWFLSA-N 1 0 389.293 2.921 20 0 GFADRO COC(=O)c1cc(C[NH2+]Cc2cc(Br)cc3c2OCC3)cn1C ZINC000566389408 564325895 /nfs/dbraw/zinc/32/58/95/564325895.db2.gz IFNUNAFFTVBFIM-UHFFFAOYSA-N 1 0 379.254 2.799 20 0 GFADRO COCC[N@@H+]1CC[C@H](NC(=O)c2cc(F)c(Br)c(Cl)c2)C1 ZINC000510229411 564328221 /nfs/dbraw/zinc/32/82/21/564328221.db2.gz PFJILASCPIISFD-JTQLQIEISA-N 1 0 379.657 2.692 20 0 GFADRO O=C(CC[NH2+]C1CC1)NCC1(c2cccc(Br)c2)CCOCC1 ZINC000566473161 564328341 /nfs/dbraw/zinc/32/83/41/564328341.db2.gz FHABQJOFFCLWQT-UHFFFAOYSA-N 1 0 381.314 2.756 20 0 GFADRO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NCCNS(=O)(=O)c2cccs2)CC1 ZINC000542842722 564329054 /nfs/dbraw/zinc/32/90/54/564329054.db2.gz XITGXUGLXUSIHM-WBVHZDCISA-N 1 0 385.599 2.659 20 0 GFADRO COCC[N@@H+]1CC[C@H](NC(=O)c2oc3c(cccc3Br)c2C)C1 ZINC000543011865 564335335 /nfs/dbraw/zinc/33/53/35/564335335.db2.gz RSRWPDWFCBEGFX-LBPRGKRZSA-N 1 0 381.270 2.954 20 0 GFADRO O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000566620124 564335473 /nfs/dbraw/zinc/33/54/73/564335473.db2.gz NKZZKWPFEYJKLV-ZDUSSCGKSA-N 1 0 378.416 2.595 20 0 GFADRO O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000566620123 564335554 /nfs/dbraw/zinc/33/55/54/564335554.db2.gz NKZZKWPFEYJKLV-CYBMUJFWSA-N 1 0 378.416 2.595 20 0 GFADRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1S(=O)(=O)c1ccc(F)c(Br)c1 ZINC000510487155 564335725 /nfs/dbraw/zinc/33/57/25/564335725.db2.gz FIHRWMUTGVBKKK-RYUDHWBXSA-N 1 0 391.306 2.836 20 0 GFADRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1S(=O)(=O)Cc1ccc(Br)cc1 ZINC000510534342 564337658 /nfs/dbraw/zinc/33/76/58/564337658.db2.gz PNJIZICPJRWOQY-CJNGLKHVSA-N 1 0 387.343 2.838 20 0 GFADRO O=C(NCCCC[N@H+]1CCC[C@H]1CO)c1c[nH]c2ccc(Br)cc12 ZINC000476394420 564337919 /nfs/dbraw/zinc/33/79/19/564337919.db2.gz TYXHBFUXHIEPRI-AWEZNQCLSA-N 1 0 394.313 2.897 20 0 GFADRO CC[NH2+]CCCNC(=O)C(=O)Nc1ccc(Br)cc1C(F)(F)F ZINC000566843793 564345899 /nfs/dbraw/zinc/34/58/99/564345899.db2.gz AXLBDVZRSNBOMO-UHFFFAOYSA-N 1 0 396.207 2.522 20 0 GFADRO COCCCC[NH+]1CCN(C(=O)COc2ccc(Cl)cc2Cl)CC1 ZINC000510800500 564347447 /nfs/dbraw/zinc/34/74/47/564347447.db2.gz ZYJFLRYISWILCY-UHFFFAOYSA-N 1 0 375.296 2.943 20 0 GFADRO C[C@@]1(C(=O)N2CCN(Cc3cc(Br)ccc3F)CC2)CCC[NH2+]C1 ZINC000566973972 564351388 /nfs/dbraw/zinc/35/13/88/564351388.db2.gz OWJXAGTVZAJBQL-GOSISDBHSA-N 1 0 398.320 2.622 20 0 GFADRO C[N@@H+]1CC[C@@H]2OCCN(C(=O)COc3c(Cl)cc(Cl)cc3Cl)[C@H]2C1 ZINC000451799616 564352930 /nfs/dbraw/zinc/35/29/30/564352930.db2.gz HDBVQJRDIARBPL-KBPBESRZSA-N 1 0 393.698 2.957 20 0 GFADRO Cc1nc(CNC(=O)Nc2cnc3c(c2)C[C@H]([NH3+])CC3)sc1Br ZINC000567029872 564354337 /nfs/dbraw/zinc/35/43/37/564354337.db2.gz DKMGZXRQLMNKPR-SNVBAGLBSA-N 1 0 396.314 2.747 20 0 GFADRO CCC[N@H+](C)CC(=O)N[C@@](C)(CC(=O)OC)c1ccc(Br)cc1 ZINC000476832231 564354939 /nfs/dbraw/zinc/35/49/39/564354939.db2.gz VJEKYTFVXJUURI-KRWDZBQOSA-N 1 0 385.302 2.685 20 0 GFADRO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)C[NH2+][C@@H]1COCC1(C)C ZINC000451816438 564355389 /nfs/dbraw/zinc/35/53/89/564355389.db2.gz ZIPZJNCHEZZZLE-GFCCVEGCSA-N 1 0 375.252 2.733 20 0 GFADRO C[C@H](O)C[N@@H+]1CCN(C(=O)CCOc2cccc(Cl)c2Cl)[C@H](C)C1 ZINC000476847625 564355672 /nfs/dbraw/zinc/35/56/72/564355672.db2.gz KZGOICGCFYFKJU-OLZOCXBDSA-N 1 0 375.296 2.676 20 0 GFADRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1c(Cl)cccc1S(C)(=O)=O ZINC000476882019 564357531 /nfs/dbraw/zinc/35/75/31/564357531.db2.gz OREKSOYVKCHIFW-MCIONIFRSA-N 1 0 386.945 2.840 20 0 GFADRO CC[N@H+](CCNS(=O)(=O)c1c(C)cc(Br)cc1C)C1CC1 ZINC000477005110 564362139 /nfs/dbraw/zinc/36/21/39/564362139.db2.gz REKMBNOHDRQUBV-UHFFFAOYSA-N 1 0 375.332 2.829 20 0 GFADRO CC(C)(C[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)c1cccc(Cl)c1 ZINC000567228051 564362271 /nfs/dbraw/zinc/36/22/71/564362271.db2.gz DHOKDZRANPXPAI-UHFFFAOYSA-N 1 0 377.897 2.948 20 0 GFADRO CCN1CC[C@H](NC(=O)C[C@@H]2CSCC[NH2+]2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000567232082 564362818 /nfs/dbraw/zinc/36/28/18/564362818.db2.gz ANBHWNJBNIYZGV-RPVQJOFSSA-N 1 0 385.936 2.826 20 0 GFADRO O[C@H](COc1ccc(Cl)cc1Cl)C[N@@H+]1CC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000451902474 564364378 /nfs/dbraw/zinc/36/43/78/564364378.db2.gz HXBQBMRUHDTPKU-CHIMOYNISA-N 1 0 388.213 2.978 20 0 GFADRO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCc1noc(-c2cccc(Br)c2)n1 ZINC000477144347 564367154 /nfs/dbraw/zinc/36/71/54/564367154.db2.gz SPESJJKZIQHCFJ-TXEJJXNPSA-N 1 0 393.285 2.988 20 0 GFADRO O=S(=O)(NC1CC[NH+](CC2CC2)CC1)c1cccc(Br)c1F ZINC000544033195 564371807 /nfs/dbraw/zinc/37/18/07/564371807.db2.gz IFVHGINBKZDISU-UHFFFAOYSA-N 1 0 391.306 2.741 20 0 GFADRO C[C@@H]([NH3+])[C@@H](C)NC(=O)c1cccc(NC(=O)c2ccc(Br)o2)c1 ZINC000567501110 564374500 /nfs/dbraw/zinc/37/45/00/564374500.db2.gz CFDRXAHZNHRNMS-NXEZZACHSA-N 1 0 380.242 2.760 20 0 GFADRO COc1cc(Br)ccc1CCC[N@H+](C)C[C@@H]1CCS(=O)(=O)C1 ZINC000544141534 564377228 /nfs/dbraw/zinc/37/72/28/564377228.db2.gz BNUJVBHQYYHIOW-ZDUSSCGKSA-N 1 0 390.343 2.757 20 0 GFADRO Cc1cccc(Cl)c1C[N@H+](C)CCOc1ccc(S(N)(=O)=O)cc1F ZINC000451991954 564377670 /nfs/dbraw/zinc/37/76/70/564377670.db2.gz SEFJUVNVMMDZTL-UHFFFAOYSA-N 1 0 386.876 2.946 20 0 GFADRO O[C@@H](CC[NH2+]Cc1ccc(Br)cc1N1CCOCC1)C(F)(F)F ZINC000567576505 564377872 /nfs/dbraw/zinc/37/78/72/564377872.db2.gz HPECNIGLHQDZFT-AWEZNQCLSA-N 1 0 397.235 2.689 20 0 GFADRO CCOC(=O)c1ccc(N2CC([NH2+]Cc3cccc(Br)c3)C2)nc1 ZINC000544174984 564378185 /nfs/dbraw/zinc/37/81/85/564378185.db2.gz QHCZZZMMOZDZTE-UHFFFAOYSA-N 1 0 390.281 2.999 20 0 GFADRO CCC(C)(C)[NH2+][C@H](C)C(=O)N1CCNC(=O)[C@@H]1c1cccc(Br)c1 ZINC000477613515 564382086 /nfs/dbraw/zinc/38/20/86/564382086.db2.gz RSAABEIOKIHNLK-DOMZBBRYSA-N 1 0 396.329 2.615 20 0 GFADRO NC(=O)c1ncc(Br)cc1NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000544354101 564384015 /nfs/dbraw/zinc/38/40/15/564384015.db2.gz SMYZVTHXPTYLMU-CYBMUJFWSA-N 1 0 379.258 2.785 20 0 GFADRO O=C1COc2ccc(C[NH2+][C@H](CO)c3ccc(Br)cc3)cc2N1 ZINC000511860739 564384271 /nfs/dbraw/zinc/38/42/71/564384271.db2.gz RERJYIITTGFENC-OAHLLOKOSA-N 1 0 377.238 2.603 20 0 GFADRO C[C@@H]1COCC[C@@H]1C[NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000567708508 564384269 /nfs/dbraw/zinc/38/42/69/564384269.db2.gz PYEAKRKTERDODO-LALPHHSUSA-N 1 0 376.266 2.590 20 0 GFADRO CSC[C@@H](O)C[NH2+][C@H](c1ccc(F)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000567725890 564384989 /nfs/dbraw/zinc/38/49/89/564384989.db2.gz NGSZLFJMIAOXSK-FUHWJXTLSA-N 1 0 383.510 2.632 20 0 GFADRO CC[C@H](CO)[NH+]1CCN([C@@H](C(=O)OC)c2cc(Cl)cc(Cl)c2)CC1 ZINC000477764452 564386809 /nfs/dbraw/zinc/38/68/09/564386809.db2.gz LBPLOZFSEMPZQH-HZPDHXFCSA-N 1 0 375.296 2.596 20 0 GFADRO Cc1nccn1C[C@@H](C)C[NH2+]Cc1ncc(I)s1 ZINC000512061482 564390220 /nfs/dbraw/zinc/39/02/20/564390220.db2.gz YEQXELZXEBXECU-VIFPVBQESA-N 1 0 376.267 2.679 20 0 GFADRO CC1CC([NH2+][C@H]2CCCN(S(=O)(=O)c3ccc(Br)cc3)C2)C1 ZINC000477914221 564390726 /nfs/dbraw/zinc/39/07/26/564390726.db2.gz IJDJSZMENAVJEL-BLZCZZARSA-N 1 0 387.343 2.990 20 0 GFADRO CS(=O)(=O)[C@H]1CCCC[C@H]1[NH2+]CCCOc1ccc(C(F)(F)F)cn1 ZINC000477926677 564390820 /nfs/dbraw/zinc/39/08/20/564390820.db2.gz MXAXRVITJREDDC-KGLIPLIRSA-N 1 0 380.432 2.815 20 0 GFADRO O=C(COc1ccc(F)cc1Br)N1CCC2(CC[NH2+]CC2)CC1 ZINC000477967919 564392169 /nfs/dbraw/zinc/39/21/69/564392169.db2.gz MGGYJLUVKYYHIC-UHFFFAOYSA-N 1 0 385.277 2.959 20 0 GFADRO O=S(=O)(N[C@@H]1CCCN(Cc2ccc(F)cc2Cl)C1)[C@H]1CCCOC1 ZINC000544660589 564392691 /nfs/dbraw/zinc/39/26/91/564392691.db2.gz JIRJBOUPBKTXHQ-CVEARBPZSA-N 1 0 390.908 2.542 20 0 GFADRO O=S(=O)(NCCC[C@@H]1CCC[NH2+]1)c1cc(Br)c(F)cc1F ZINC000567862516 564392882 /nfs/dbraw/zinc/39/28/82/564392882.db2.gz HDWULYBOWCODNB-VIFPVBQESA-N 1 0 383.258 2.538 20 0 GFADRO C[C@H](NC(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1)[C@H]1CCC[NH2+]C1 ZINC000567871720 564393498 /nfs/dbraw/zinc/39/34/98/564393498.db2.gz JKDUTPJVXHLQEH-OFQRWUPVSA-N 1 0 395.345 2.715 20 0 GFADRO CCCCNC(=O)NC(=O)C[NH2+][C@@H](CCO)c1ccc(Cl)c(Cl)c1 ZINC000512165784 564393783 /nfs/dbraw/zinc/39/37/83/564393783.db2.gz QYWALYARJRGCIM-AWEZNQCLSA-N 1 0 376.284 2.632 20 0 GFADRO O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)Nc1nc(-c2ccccc2Cl)cs1 ZINC000567892501 564394460 /nfs/dbraw/zinc/39/44/60/564394460.db2.gz HPYZPDGBBPVMIW-ZDUSSCGKSA-N 1 0 378.885 2.660 20 0 GFADRO O=C(CN1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)Nc1ccc(Br)cc1F ZINC000567894676 564395486 /nfs/dbraw/zinc/39/54/86/564395486.db2.gz NLQWBBWUJOYTMI-OLZOCXBDSA-N 1 0 384.293 2.848 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)NCc1cn2cc(Br)cc(C)c2n1 ZINC000544776198 564398656 /nfs/dbraw/zinc/39/86/56/564398656.db2.gz OVSMTZJIKMITRF-OAHLLOKOSA-N 1 0 394.317 2.689 20 0 GFADRO O=S1(=O)CCC(CC[NH2+]Cc2cccc(I)c2)CC1 ZINC000568049747 564402299 /nfs/dbraw/zinc/40/22/99/564402299.db2.gz YZQCSKOXXYYNPC-UHFFFAOYSA-N 1 0 393.290 2.596 20 0 GFADRO COc1c[nH+]ccc1N1CCN(C(=O)c2cc(F)cc(Br)c2)CC1 ZINC000478482776 564404863 /nfs/dbraw/zinc/40/48/63/564404863.db2.gz CSAZCQHYFSWJFU-UHFFFAOYSA-N 1 0 394.244 2.954 20 0 GFADRO COc1ccc(C[N@@H+]2CC[C@H](Cc3cnn(C)c3)C2)c(Br)c1O ZINC000544943113 564404960 /nfs/dbraw/zinc/40/49/60/564404960.db2.gz LJDBQNACSGDVDS-GFCCVEGCSA-N 1 0 380.286 2.961 20 0 GFADRO CC(C)(C)OC(=O)[C@](C)(O)C[NH2+][C@H]1CCc2cccc(Br)c2C1 ZINC000512552464 564405484 /nfs/dbraw/zinc/40/54/84/564405484.db2.gz ORAYGCSPCCFNKX-SCLBCKFNSA-N 1 0 384.314 2.989 20 0 GFADRO COCC[N@@H+]1CCCN(C(=O)[C@@H](C)Oc2ccc(Cl)c(Cl)c2)CC1 ZINC000478567504 564408301 /nfs/dbraw/zinc/40/83/01/564408301.db2.gz ZWAYFBRQXREMAM-CYBMUJFWSA-N 1 0 375.296 2.941 20 0 GFADRO CC(C)(C(=O)NC[C@H]1CCC[N@@H+]1CCCO)c1cccc(Br)c1 ZINC000452369333 564408740 /nfs/dbraw/zinc/40/87/40/564408740.db2.gz RSHHGEULHAQGII-MRXNPFEDSA-N 1 0 383.330 2.690 20 0 GFADRO O=C(NC[C@@H]1CCC[N@H+]1CCCO)c1cccc(Br)c1Cl ZINC000452375407 564410078 /nfs/dbraw/zinc/41/00/78/564410078.db2.gz XVWIBENDDORJON-NSHDSACASA-N 1 0 375.694 2.679 20 0 GFADRO C[N@@H+]1CC[C@@](O)(CNC(=O)Nc2cc(Br)cc(C(F)(F)F)c2)C1 ZINC000545161967 564410390 /nfs/dbraw/zinc/41/03/90/564410390.db2.gz RJVNYUWAUYFVIH-CYBMUJFWSA-N 1 0 396.207 2.656 20 0 GFADRO CCCn1c(=O)c2c(nc1SC[C@H](O)C[N@H+](C)CC)sc1c2CCC1 ZINC000568247263 564410878 /nfs/dbraw/zinc/41/08/78/564410878.db2.gz HDWAKTIUKVOIMC-GFCCVEGCSA-N 1 0 381.567 2.761 20 0 GFADRO O=C(CCCOc1ccccc1Br)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000452378802 564411935 /nfs/dbraw/zinc/41/19/35/564411935.db2.gz XYHIXJYZVOCSMC-OAHLLOKOSA-N 1 0 399.329 2.571 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)c2ccc(Cl)c(Br)c2)CC12CCOCC2 ZINC000568267033 564412233 /nfs/dbraw/zinc/41/22/33/564412233.db2.gz ZZVWMAWNKOVTSA-LBPRGKRZSA-N 1 0 387.705 2.930 20 0 GFADRO O=C(N[C@H]1CCC[N@@H+](CCCO)C1)c1cc2c(Br)cccc2cn1 ZINC000452388213 564412454 /nfs/dbraw/zinc/41/24/54/564412454.db2.gz XFMCVXGQICXSSK-AWEZNQCLSA-N 1 0 392.297 2.574 20 0 GFADRO CS(=O)(=O)N[C@H]1CCCC[C@@H]1C[NH2+]Cc1ccc(Br)s1 ZINC000512859194 564414601 /nfs/dbraw/zinc/41/46/01/564414601.db2.gz ASRYPZZLZMGDLD-PWSUYJOCSA-N 1 0 381.361 2.708 20 0 GFADRO Cc1ccc(C[NH2+]C[C@@H]2CCCC[C@@H]2NS(C)(=O)=O)cc1Br ZINC000512860590 564414801 /nfs/dbraw/zinc/41/48/01/564414801.db2.gz JOVTYNUUVDDFEN-HOCLYGCPSA-N 1 0 389.359 2.955 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)C(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000568370002 564415521 /nfs/dbraw/zinc/41/55/21/564415521.db2.gz NXWSORDEJZWPIW-UHFFFAOYSA-N 1 0 394.313 2.688 20 0 GFADRO CS(=O)(=O)N[C@@H]1CCCC[C@@H]1C[NH2+]Cc1cccc(Br)c1 ZINC000512909399 564416034 /nfs/dbraw/zinc/41/60/34/564416034.db2.gz XZLDDAZPDBNMNM-UKRRQHHQSA-N 1 0 375.332 2.647 20 0 GFADRO COc1ccc(C[NH2+]C[C@@H](N2CCOCC2)C(F)(F)F)c(Br)c1 ZINC000513028044 564417843 /nfs/dbraw/zinc/41/78/43/564417843.db2.gz TYOFGSCDNYDCCQ-CQSZACIVSA-N 1 0 397.235 2.810 20 0 GFADRO C[C@@H]1CN(C(=O)c2ccn(-c3ccc(Br)cc3)n2)C[C@H](C)N1C ZINC000513052278 564419032 /nfs/dbraw/zinc/41/90/32/564419032.db2.gz PQCMYUIASIPVKY-BETUJISGSA-N 1 0 377.286 2.799 20 0 GFADRO CCC[NH+]1CCC(N(C)c2nnc(-c3cc(Br)cn3C)n2C)CC1 ZINC000568448696 564419431 /nfs/dbraw/zinc/41/94/31/564419431.db2.gz XDJMHCOWICUGQY-UHFFFAOYSA-N 1 0 395.349 2.894 20 0 GFADRO C[C@@H]1CN(C(=O)[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C[C@H](C)[N@H+]1C ZINC000513103525 564419775 /nfs/dbraw/zinc/41/97/75/564419775.db2.gz WEYSNWAHAWTZIL-SCRDCRAPSA-N 1 0 384.307 2.897 20 0 GFADRO Cc1cccc(Br)c1C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000568458011 564420297 /nfs/dbraw/zinc/42/02/97/564420297.db2.gz RUFSFZLNNJTDSE-HNNXBMFYSA-N 1 0 381.314 2.942 20 0 GFADRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)Nc1ccc(Cl)cc1Br ZINC000478979230 564420870 /nfs/dbraw/zinc/42/08/70/564420870.db2.gz JEFSSQVKQMVLNW-SNVBAGLBSA-N 1 0 390.709 2.888 20 0 GFADRO Cc1cc(Br)cn2cc(CNC(=O)C[NH+]3CCC(C)CC3)nc12 ZINC000545406720 564421778 /nfs/dbraw/zinc/42/17/78/564421778.db2.gz IJSLCYUKGWXNDO-UHFFFAOYSA-N 1 0 379.302 2.753 20 0 GFADRO CCC[NH2+][C@H](C)C(=O)N[C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000568508727 564422326 /nfs/dbraw/zinc/42/23/26/564422326.db2.gz MCTFREUSNNKXQG-PWSUYJOCSA-N 1 0 378.826 2.837 20 0 GFADRO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)NCCc2c(Cl)cccc2Cl)C1 ZINC000479121929 564425890 /nfs/dbraw/zinc/42/58/90/564425890.db2.gz PAWQVCRPITXXPG-CYBMUJFWSA-N 1 0 386.323 2.595 20 0 GFADRO CCn1c(CNC(=O)N2CCC[N@H+](C)CC2)nc2cc(Br)ccc21 ZINC000479143340 564427742 /nfs/dbraw/zinc/42/77/42/564427742.db2.gz LIIRXIQHOVKMGU-UHFFFAOYSA-N 1 0 394.317 2.666 20 0 GFADRO CC(C)C[NH+]1CCN(C(=O)c2cnnn2-c2c(Cl)cccc2Cl)CC1 ZINC000479181658 564430482 /nfs/dbraw/zinc/43/04/82/564430482.db2.gz IZTUQKADPVVKCM-UHFFFAOYSA-N 1 0 382.295 2.988 20 0 GFADRO O=C(CCOc1cccc(Cl)c1Cl)NC[C@@H]1CCC[N@H+]1CCCO ZINC000452787126 564431277 /nfs/dbraw/zinc/43/12/77/564431277.db2.gz YZLCAVGRODVZKV-ZDUSSCGKSA-N 1 0 375.296 2.725 20 0 GFADRO C[C@@H](NC(=O)C[N@@H+]1CC[C@H](C)C1)c1ccc(Br)cc1OCCCO ZINC000568762772 564433084 /nfs/dbraw/zinc/43/30/84/564433084.db2.gz IVELINXSQDWLOP-UONOGXRCSA-N 1 0 399.329 2.729 20 0 GFADRO CC[NH+](CC)CC[C@@H](CO)NC(=O)CCc1cccc(F)c1Br ZINC000568762782 564433343 /nfs/dbraw/zinc/43/33/43/564433343.db2.gz JDPFOLXDKPCOFI-AWEZNQCLSA-N 1 0 389.309 2.730 20 0 GFADRO Cc1cccc(Br)c1C(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000568772532 564434109 /nfs/dbraw/zinc/43/41/09/564434109.db2.gz VFYIQFCXUBEZEO-MRXNPFEDSA-N 1 0 394.357 3.000 20 0 GFADRO CC[NH+]1CCN(CCC(=O)N2CC[C@H](c3cccc(Br)c3)C2)CC1 ZINC000452842014 564434374 /nfs/dbraw/zinc/43/43/74/564434374.db2.gz IDWDZPQMEANDNU-KRWDZBQOSA-N 1 0 394.357 2.793 20 0 GFADRO Cc1nc(CSc2ccc(C(=O)NC[C@@]3(O)CC[N@@H+](C)C3)cc2)cs1 ZINC000545861754 564434775 /nfs/dbraw/zinc/43/47/75/564434775.db2.gz BSNDADLVPLBXKO-SFHVURJKSA-N 1 0 377.535 2.540 20 0 GFADRO CC[N@@H+]1CC[C@H](CN[C@@H](C)c2cc(S(N)(=O)=O)c(Cl)cc2Cl)C1 ZINC000479364955 564437544 /nfs/dbraw/zinc/43/75/44/564437544.db2.gz SJYKHUUGMVSKEH-WDEREUQCSA-N 1 0 380.341 2.633 20 0 GFADRO CC(C)NS(=O)(=O)CC[NH2+][C@@H]1CCCc2cc(Br)ccc21 ZINC000479419543 564439836 /nfs/dbraw/zinc/43/98/36/564439836.db2.gz PVBRFHBGNUPNQF-OAHLLOKOSA-N 1 0 375.332 2.744 20 0 GFADRO CCS(=O)(=O)N1CC(C[NH2+][C@@H]2CCCc3cc(Br)ccc32)C1 ZINC000479448787 564440445 /nfs/dbraw/zinc/44/04/45/564440445.db2.gz FHLRIHHFPLUOAX-MRXNPFEDSA-N 1 0 387.343 2.698 20 0 GFADRO OC[C@@H]1CC[C@H](C[NH2+]Cc2ccc(OC(F)(F)F)c(Br)c2)O1 ZINC000568910260 564440600 /nfs/dbraw/zinc/44/06/00/564440600.db2.gz MWKCTKNGABFJQZ-MNOVXSKESA-N 1 0 384.192 2.977 20 0 GFADRO CC(=O)N1CCC([NH2+]CCc2cn3cc(Br)cc(C)c3n2)CC1 ZINC000546058564 564441956 /nfs/dbraw/zinc/44/19/56/564441956.db2.gz XOYMNPSKJQIBRA-UHFFFAOYSA-N 1 0 379.302 2.548 20 0 GFADRO CC(C)[N@@H+](Cc1cccc(Br)c1)C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000513904145 564442064 /nfs/dbraw/zinc/44/20/64/564442064.db2.gz REBMSBCVDRDROI-OAHLLOKOSA-N 1 0 389.359 2.941 20 0 GFADRO O=S(=O)(N1CC[NH+](C[C@H]2CCCC(F)(F)C2)CC1)N1CCCCCC1 ZINC000513967808 564444076 /nfs/dbraw/zinc/44/40/76/564444076.db2.gz QLJSRJFOGCDRDV-INIZCTEOSA-N 1 0 379.517 2.550 20 0 GFADRO CC(=O)N[C@H](CC(=O)N1CCC(CC[NH3+])CC1)c1ccc(Br)cc1 ZINC000569014271 564445247 /nfs/dbraw/zinc/44/52/47/564445247.db2.gz LCYLMZHSLMXGSZ-QGZVFWFLSA-N 1 0 396.329 2.604 20 0 GFADRO C[C@@H](NC[C@@H](O)C[NH+]1CCCC1)c1ccc(F)c(I)c1 ZINC000453083967 564445483 /nfs/dbraw/zinc/44/54/83/564445483.db2.gz GQLDJIBAAQKNQS-DGCLKSJQSA-N 1 0 392.256 2.538 20 0 GFADRO C[NH+](C)Cc1cccc(C(=O)NCc2nc3cc(Br)cnc3[nH]2)c1 ZINC000479798902 564451139 /nfs/dbraw/zinc/45/11/39/564451139.db2.gz AMTMFMJRQIQMIM-UHFFFAOYSA-N 1 0 388.269 2.712 20 0 GFADRO COc1cc2c(cc1OC)[C@@H]([NH2+]CCn1cc(Br)ccc1=O)CC2 ZINC000453248322 564451235 /nfs/dbraw/zinc/45/12/35/564451235.db2.gz LDOWZQHUSUXQOY-HNNXBMFYSA-N 1 0 393.281 2.905 20 0 GFADRO CC[C@@H](CNS(C)(=O)=O)[NH2+][C@H]1CCCc2cc(Br)ccc21 ZINC000453281218 564451896 /nfs/dbraw/zinc/45/18/96/564451896.db2.gz KKWKZGMZIVUVBD-ZFWWWQNUSA-N 1 0 375.332 2.744 20 0 GFADRO CC[C@@H](CNS(C)(=O)=O)[NH2+][C@H](Cc1cccnc1)c1ccc(Cl)cc1 ZINC000453294353 564453060 /nfs/dbraw/zinc/45/30/60/564453060.db2.gz WYOLUZPZVYLBCM-ZWKOTPCHSA-N 1 0 381.929 2.936 20 0 GFADRO CCS(=O)(=O)c1ccc(C[NH2+]C[C@@H](O)COc2ccc(C)cc2C)s1 ZINC000569214927 564453817 /nfs/dbraw/zinc/45/38/17/564453817.db2.gz YCEVBZGKQVSASO-OAHLLOKOSA-N 1 0 383.535 2.688 20 0 GFADRO Cc1ccc(C[C@@H](CO)C[NH2+][C@H](C)C(C)(C)n2cncn2)cc1Br ZINC000453372890 564454972 /nfs/dbraw/zinc/45/49/72/564454972.db2.gz NZNHLFKWZSZAOM-GDBMZVCRSA-N 1 0 395.345 2.913 20 0 GFADRO Cn1cc(I)c(C[NH2+][C@H]2CCC[C@@H](c3ccnn3C)C2)n1 ZINC000453388004 564455783 /nfs/dbraw/zinc/45/57/83/564455783.db2.gz WKVACCUUIZKTEH-NEPJUHHUSA-N 1 0 399.280 2.574 20 0 GFADRO COc1ccc(C[C@H](CO)C[NH2+][C@H](C)Cc2cnccn2)cc1Br ZINC000453389752 564455993 /nfs/dbraw/zinc/45/59/93/564455993.db2.gz XODLWSWVCIGDMT-HIFRSBDPSA-N 1 0 394.313 2.620 20 0 GFADRO CNC(=O)C[C@H](C)[NH2+][C@H](C)c1nnn(-c2cccc(Br)c2)c1C ZINC000453378303 564456412 /nfs/dbraw/zinc/45/64/12/564456412.db2.gz QGBPRAKGLIRBOQ-WDEREUQCSA-N 1 0 380.290 2.513 20 0 GFADRO CCn1c(-c2cc(Br)cn2C)nnc1N(C)[C@H]1CC[N@@H+](C(C)C)C1 ZINC000453463114 564457019 /nfs/dbraw/zinc/45/70/19/564457019.db2.gz HMQYFPJQILFUJF-AWEZNQCLSA-N 1 0 395.349 2.985 20 0 GFADRO Cc1ccc(F)c(Br)c1NC(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000453575609 564458700 /nfs/dbraw/zinc/45/87/00/564458700.db2.gz KYELUBKAWPVGNU-QWHCGFSZSA-N 1 0 398.276 2.578 20 0 GFADRO COc1cc(Br)c(CNC(=O)C[C@@H]2CCCC[C@H]2[NH3+])cc1OC ZINC000569335370 564458930 /nfs/dbraw/zinc/45/89/30/564458930.db2.gz QIGSOHBZNJIIAO-SMDDNHRTSA-N 1 0 385.302 2.990 20 0 GFADRO Brc1c(-c2nc(CC3=[NH+][C@@H]4CCCC[C@@H]4N3)no2)n[nH]c1C1CC1 ZINC000546551754 564459310 /nfs/dbraw/zinc/45/93/10/564459310.db2.gz XYNPWXMLSZIMHB-AOOOYVTPSA-N 1 0 391.273 2.955 20 0 GFADRO COC(=O)CCCN1CCC([NH2+]CCNc2ncc(Cl)cc2Cl)CC1 ZINC000546622978 564462733 /nfs/dbraw/zinc/46/27/33/564462733.db2.gz RJVSQMJWIHYDTB-UHFFFAOYSA-N 1 0 389.327 2.808 20 0 GFADRO CC[C@@H](O)CCC[NH2+][C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000480201691 564464352 /nfs/dbraw/zinc/46/43/52/564464352.db2.gz QNNGXEZDEBVCOX-TZMCWYRMSA-N 1 0 376.316 2.808 20 0 GFADRO CC(C)N(C)CC[NH2+][C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000480218453 564465244 /nfs/dbraw/zinc/46/52/44/564465244.db2.gz CTDPWDIUPDEQIT-CQSZACIVSA-N 1 0 375.332 2.597 20 0 GFADRO CC(=O)NCCN(C)[C@H]1CCCN(c2c(C)cc(Br)cc2C)C1=O ZINC000569481656 564465649 /nfs/dbraw/zinc/46/56/49/564465649.db2.gz NJADRBOCTURGAM-INIZCTEOSA-N 1 0 396.329 2.629 20 0 GFADRO CC(C)(C)[C@@H](O)C[NH2+][C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000480241672 564465623 /nfs/dbraw/zinc/46/56/23/564465623.db2.gz PUVFNTOCXOIYMG-JSGCOSHPSA-N 1 0 376.316 2.664 20 0 GFADRO COc1ccc(-c2ncc(C(=O)NC[C@@]3([NH+](C)C)CCSC3)s2)cc1 ZINC000480279031 564466482 /nfs/dbraw/zinc/46/64/82/564466482.db2.gz BAXGDMJWENLVQR-SFHVURJKSA-N 1 0 377.535 2.986 20 0 GFADRO C[NH+](C)[C@]1(CNC(=O)CCc2cc(Br)cs2)CCSC1 ZINC000480277022 564466666 /nfs/dbraw/zinc/46/66/66/564466666.db2.gz KEDFWADINPXAMY-AWEZNQCLSA-N 1 0 377.373 2.997 20 0 GFADRO O=S(=O)(CC[NH2+]C[C@H]1CCCSC1)c1cccc(Br)c1 ZINC000515054757 564466919 /nfs/dbraw/zinc/46/69/19/564466919.db2.gz GQYDMKBOFFPNOB-GFCCVEGCSA-N 1 0 378.357 2.956 20 0 GFADRO CCN1CCC[C@H]1C[NH2+][C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000480330605 564468436 /nfs/dbraw/zinc/46/84/36/564468436.db2.gz UCAQNCVRPJIKPA-DZGCQCFKSA-N 1 0 387.343 2.742 20 0 GFADRO CCN(CCC[NH+](C)C)S(=O)(=O)c1cnn(-c2ccc(Cl)cc2)c1C ZINC000480332535 564468505 /nfs/dbraw/zinc/46/85/05/564468505.db2.gz IUJROOMSBLZYKI-UHFFFAOYSA-N 1 0 384.933 2.796 20 0 GFADRO C[NH+](C)[C@@]1(CNC(=O)COc2ccc(F)cc2Br)CCSC1 ZINC000480387002 564470294 /nfs/dbraw/zinc/47/02/94/564470294.db2.gz TVRMCRQZNWRWSB-OAHLLOKOSA-N 1 0 391.306 2.521 20 0 GFADRO Cc1cc(Br)cc(NC(=O)C(=O)N2CC[N@@H+](C3CC3)C[C@H](C)C2)c1 ZINC000453772882 564471269 /nfs/dbraw/zinc/47/12/69/564471269.db2.gz ZNQYORMWLDYNHL-ZDUSSCGKSA-N 1 0 394.313 2.639 20 0 GFADRO CC(C)[NH2+]CCCNC(=O)N[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000515223094 564472128 /nfs/dbraw/zinc/47/21/28/564472128.db2.gz CROSEFJXDLTSPX-HNNXBMFYSA-N 1 0 383.334 2.715 20 0 GFADRO CCC[N@H+](CC)C[C@H](C)NC(=O)NCC(=O)Nc1cccc(Br)c1 ZINC000569635382 564472121 /nfs/dbraw/zinc/47/21/21/564472121.db2.gz AOQSQGGGDYNQPC-ZDUSSCGKSA-N 1 0 399.333 2.807 20 0 GFADRO Cc1cc(NC(=O)CNC(=O)N[C@@H](C)C[N@@H+](C)C(C)C)ccc1Br ZINC000515360361 564477021 /nfs/dbraw/zinc/47/70/21/564477021.db2.gz HJWIKKHLUULVHF-ZDUSSCGKSA-N 1 0 399.333 2.724 20 0 GFADRO CN(C)CC[N@H+](C)CCCNC(=O)c1cc(F)c(Br)cc1Cl ZINC000569767084 564477765 /nfs/dbraw/zinc/47/77/65/564477765.db2.gz UVGOOJWLNIPJMP-UHFFFAOYSA-N 1 0 394.716 2.855 20 0 GFADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(Br)c2c1OCCC2 ZINC000515450946 564479389 /nfs/dbraw/zinc/47/93/89/564479389.db2.gz RQJWNCLDKMFQDH-CYBMUJFWSA-N 1 0 397.313 2.615 20 0 GFADRO O=C(c1ncc(Br)cc1Br)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000515483381 564480088 /nfs/dbraw/zinc/48/00/88/564480088.db2.gz BMJANBLCJGSBTR-SNVBAGLBSA-N 1 0 389.091 2.573 20 0 GFADRO C[C@@H]1CC[N@H+](C)CCN1c1ncnc2cccc(I)c21 ZINC000547282012 564482788 /nfs/dbraw/zinc/48/27/88/564482788.db2.gz OAUWCKWVGZJMLN-LLVKDONJSA-N 1 0 382.249 2.765 20 0 GFADRO CC[NH+](CC)C[C@H](C)NS(=O)(=O)c1cc(Cl)ccc1O[C@@H](C)COC ZINC000480716034 564484364 /nfs/dbraw/zinc/48/43/64/564484364.db2.gz WARAUJZWPNHUEF-KBPBESRZSA-N 1 0 392.949 2.762 20 0 GFADRO CC(C)c1n[nH]c(C(=O)N2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)c1Br ZINC000570077532 564490188 /nfs/dbraw/zinc/49/01/88/564490188.db2.gz ABACVJFGUVKMGY-STQMWFEESA-N 1 0 399.333 2.654 20 0 GFADRO CC(C)c1n[nH]c(C(=O)N2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)c1Br ZINC000570077529 564490577 /nfs/dbraw/zinc/49/05/77/564490577.db2.gz ABACVJFGUVKMGY-CHWSQXEVSA-N 1 0 399.333 2.654 20 0 GFADRO O=C1[C@@H]2CSCCN2C(=O)N1C[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000516136694 564493868 /nfs/dbraw/zinc/49/38/68/564493868.db2.gz ZRAKGPFFBZJSAF-CVEARBPZSA-N 1 0 379.913 2.857 20 0 GFADRO CCOCCOC[C@H](O)C[NH2+]Cc1ccc(Br)c2cccnc12 ZINC000480915785 564495633 /nfs/dbraw/zinc/49/56/33/564495633.db2.gz XWFRHVNYDZDLKV-CQSZACIVSA-N 1 0 383.286 2.501 20 0 GFADRO Cc1cc(S(=O)(=O)NCC[N@H+]2CCCC[C@H]2C)ccc1Br ZINC000516180168 564496319 /nfs/dbraw/zinc/49/63/19/564496319.db2.gz DPRNXQLMHPEXQE-CYBMUJFWSA-N 1 0 375.332 2.910 20 0 GFADRO C[C@H](NCc1cc(Cl)cc(S(N)(=O)=O)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000570215921 564496483 /nfs/dbraw/zinc/49/64/83/564496483.db2.gz MDOFNSARJKPNKM-ZFWWWQNUSA-N 1 0 385.961 2.730 20 0 GFADRO CC1(C)C[NH2+]CC[C@@H]1NC(=O)Nc1ccc(I)cc1F ZINC000570292283 564500225 /nfs/dbraw/zinc/50/02/25/564500225.db2.gz IOVGAMBODZOCGY-LBPRGKRZSA-N 1 0 391.228 2.940 20 0 GFADRO C[C@@H]([NH2+]CCN1CCc2sccc2C1)c1cccc(NS(C)(=O)=O)c1 ZINC000481038597 564501342 /nfs/dbraw/zinc/50/13/42/564501342.db2.gz QGLVPPQJEUPJQA-CQSZACIVSA-N 1 0 379.551 2.829 20 0 GFADRO CN(C(=O)NCCOc1cccc(Br)c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000570382020 564503577 /nfs/dbraw/zinc/50/35/77/564503577.db2.gz UOWPUIVZWBDBHD-YIONKMFJSA-N 1 0 382.302 2.752 20 0 GFADRO COC(=O)c1cccc(NC(=O)N2CC[C@]3(C2)CCC[NH2+]C3)c1Br ZINC000570424839 564505568 /nfs/dbraw/zinc/50/55/68/564505568.db2.gz DBJQXTBQIIJPGO-QGZVFWFLSA-N 1 0 396.285 2.843 20 0 GFADRO CCN(C[C@H](O)C(F)(F)F)C(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000547673523 564506814 /nfs/dbraw/zinc/50/68/14/564506814.db2.gz JFMPQCWGHSDOCA-KBPBESRZSA-N 1 0 381.826 2.897 20 0 GFADRO C[C@@H]1C[C@@H]([NH3+])CCN1S(=O)(=O)Cc1cc(Cl)ccc1Br ZINC000570461817 564507174 /nfs/dbraw/zinc/50/71/74/564507174.db2.gz VRWSLIZLDWTHTH-SKDRFNHKSA-N 1 0 381.723 2.744 20 0 GFADRO Cc1csc(C(=O)N[C@H]2[C@@H](C)[NH2+]CC[C@@H]2C)c1I ZINC000516644849 564508028 /nfs/dbraw/zinc/50/80/28/564508028.db2.gz LWEFKHIFDKOJAO-JVUFJMBOSA-N 1 0 378.279 2.777 20 0 GFADRO [NH3+][C@H]1CCC[C@H](CNC(=O)CCNC(=O)Nc2ccc(Br)cc2)C1 ZINC000570508068 564509172 /nfs/dbraw/zinc/50/91/72/564509172.db2.gz JFQHCWZLOLFJGA-JSGCOSHPSA-N 1 0 397.317 2.594 20 0 GFADRO C[C@@H]1OCC[C@@H]1[N@H+](CCO)Cc1ccnc(-c2ccc(Br)cc2)n1 ZINC000570505637 564509402 /nfs/dbraw/zinc/50/94/02/564509402.db2.gz SRMGAWLDZUUKSM-GUYCJALGSA-N 1 0 392.297 2.878 20 0 GFADRO C[C@H]([NH3+])C[C@H](C)NC(=O)NC[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000570567849 564512885 /nfs/dbraw/zinc/51/28/85/564512885.db2.gz VZUNRLCXPHAQHC-IHRRRGAJSA-N 1 0 383.334 2.700 20 0 GFADRO O=C(CC[N@@H+]1CCC[C@H](n2ccnn2)C1)Nc1cccc(Br)c1 ZINC000570627351 564514576 /nfs/dbraw/zinc/51/45/76/564514576.db2.gz WDVCQKLZILZULD-HNNXBMFYSA-N 1 0 378.274 2.706 20 0 GFADRO C[C@H](Cc1c(Cl)cccc1Cl)NC(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC000570629956 564515608 /nfs/dbraw/zinc/51/56/08/564515608.db2.gz CENNXYVMPHKCQU-LLVKDONJSA-N 1 0 382.295 2.870 20 0 GFADRO Cc1nc(CNC(=O)N[C@@H](CC(C)C)C[NH+](C)C)sc1Br ZINC000454595685 564516129 /nfs/dbraw/zinc/51/61/29/564516129.db2.gz DYQGXGSBXDUZLJ-NSHDSACASA-N 1 0 377.352 2.990 20 0 GFADRO NC(=O)[C@@H](NC1CC[NH+](C2CCC2)CC1)c1ccc(Br)cc1F ZINC000570667445 564516394 /nfs/dbraw/zinc/51/63/94/564516394.db2.gz RVYWMFVCBOXXMN-INIZCTEOSA-N 1 0 384.293 2.721 20 0 GFADRO Cc1cc(N2CC[C@H]([NH2+]C[C@H](O)CCOC(C)C)C2=O)ccc1Br ZINC000516922397 564517236 /nfs/dbraw/zinc/51/72/36/564517236.db2.gz ZMTOFGCVVJOCTQ-WBVHZDCISA-N 1 0 399.329 2.628 20 0 GFADRO C[C@@H](NC(=O)NCC[NH2+]C1CCCCCC1)c1ncc(Br)cn1 ZINC000570697574 564518095 /nfs/dbraw/zinc/51/80/95/564518095.db2.gz YVERYFGOWFEDIQ-GFCCVEGCSA-N 1 0 384.322 2.912 20 0 GFADRO O[C@H](C[NH2+]CC1CCN(CC(F)(F)F)CC1)COc1ccc(Cl)cc1 ZINC000570711630 564518215 /nfs/dbraw/zinc/51/82/15/564518215.db2.gz YVGHBNVJBBQVBM-OAHLLOKOSA-N 1 0 380.838 2.944 20 0 GFADRO COc1c(Cl)cc(NC(=O)NC[C@H]2CCCC[N@@H+]2CCO)cc1Cl ZINC000454676295 564518968 /nfs/dbraw/zinc/51/89/68/564518968.db2.gz PBGDCKPSQSITQB-GFCCVEGCSA-N 1 0 376.284 2.970 20 0 GFADRO Cc1cc(Br)c(S(=O)(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)s1 ZINC000516970232 564519132 /nfs/dbraw/zinc/51/91/32/564519132.db2.gz DLIQRTNQETWTCR-NEPJUHHUSA-N 1 0 393.372 2.829 20 0 GFADRO CCS(=O)(=O)NCCC[NH2+][C@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000481752849 564521499 /nfs/dbraw/zinc/52/14/99/564521499.db2.gz UJTWNDDHYLTQPX-HNNXBMFYSA-N 1 0 393.322 2.958 20 0 GFADRO [NH3+]C[C@H]1CCCN(C(=O)Nc2cnn(-c3ccccc3Br)c2)C1 ZINC000570811029 564522145 /nfs/dbraw/zinc/52/21/45/564522145.db2.gz JNNWPKKAZGBNQX-GFCCVEGCSA-N 1 0 378.274 2.837 20 0 GFADRO C[NH+](C)[C@]1(CNC(=O)Nc2ccc(OCC(F)(F)F)nc2)CCSC1 ZINC000481776427 564523465 /nfs/dbraw/zinc/52/34/65/564523465.db2.gz IBZORKUIYGRCCV-AWEZNQCLSA-N 1 0 378.420 2.582 20 0 GFADRO CO[C@H]1CCN(C(=O)CCCCOc2ccc(Br)cc2)[C@H](C[NH3+])C1 ZINC000517125748 564525563 /nfs/dbraw/zinc/52/55/63/564525563.db2.gz ZCUPHIWAZUDLSB-RDJZCZTQSA-N 1 0 399.329 2.963 20 0 GFADRO O[C@H](C[NH2+][C@@H]1C[C@H]2OCCC[C@H]12)COc1ccc(Cl)cc1Br ZINC000517129637 564525574 /nfs/dbraw/zinc/52/55/74/564525574.db2.gz GEBBMURATWXBAL-ZNEHSRBWSA-N 1 0 390.705 2.999 20 0 GFADRO [NH3+][C@@H]1CCC[C@H](CNS(=O)(=O)c2cccc(Br)c2Cl)C1 ZINC000517235505 564529031 /nfs/dbraw/zinc/52/90/31/564529031.db2.gz KJQKDAWXLFAHFI-VHSXEESVSA-N 1 0 381.723 2.898 20 0 GFADRO CC(C)[N@H+](C)C[C@@H](C)NC(=O)NCCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000454971929 564530054 /nfs/dbraw/zinc/53/00/54/564530054.db2.gz LNTAKWGKGIQKHG-CQSZACIVSA-N 1 0 389.949 2.532 20 0 GFADRO O[C@H](COc1cc(F)cc(Br)c1)C[N@@H+]1CCCC[C@@H]1C1(O)CC1 ZINC000571024334 564532613 /nfs/dbraw/zinc/53/26/13/564532613.db2.gz PCRHFYAAVFBFNB-GOEBONIOSA-N 1 0 388.277 2.707 20 0 GFADRO O=C([C@@H]1CCC[N@@H+](Cc2cn3ccc(Br)cc3n2)C1)N1CCCC1 ZINC000517446519 564534885 /nfs/dbraw/zinc/53/48/85/564534885.db2.gz IWYZRIWXDLTWHE-CQSZACIVSA-N 1 0 391.313 2.931 20 0 GFADRO COCCOc1ccc(Br)cc1NC(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000455087453 564536030 /nfs/dbraw/zinc/53/60/30/564536030.db2.gz GDOLHVGJHDPKLO-SWLSCSKDSA-N 1 0 398.301 2.642 20 0 GFADRO Cc1cc(C)c(NC(=O)N2CC[C@@H]([N@H+](C)CCO)[C@H]2C)cc1Br ZINC000455190224 564541641 /nfs/dbraw/zinc/54/16/41/564541641.db2.gz GWOZQIJIKKATOM-CZUORRHYSA-N 1 0 384.318 2.985 20 0 GFADRO O=C(c1ccc(I)cc1F)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000571272655 564543377 /nfs/dbraw/zinc/54/33/77/564543377.db2.gz AVMMFUHRCZNYAR-LBPRGKRZSA-N 1 0 388.224 2.741 20 0 GFADRO Cc1cc(F)c(Br)cc1NC(=O)NC[C@H]1CCCC[N@@H+]1CCO ZINC000455242376 564544674 /nfs/dbraw/zinc/54/46/74/564544674.db2.gz KVBUTVRGKZHZBM-GFCCVEGCSA-N 1 0 388.281 2.865 20 0 GFADRO O=C(C[NH2+]C1CC1)Nc1cc(Cl)c(NC(=O)c2cnccn2)c(Cl)c1 ZINC000571313155 564545657 /nfs/dbraw/zinc/54/56/57/564545657.db2.gz AEMJNKXXJHSRHP-UHFFFAOYSA-N 1 0 380.235 2.726 20 0 GFADRO C[C@H]([NH2+]CCCN1CCC[C@@H]1C(N)=O)c1cc(Cl)ccc1OC(F)F ZINC000482631583 564547550 /nfs/dbraw/zinc/54/75/50/564547550.db2.gz SMEBDRMHJYGKSD-SMDDNHRTSA-N 1 0 375.847 2.932 20 0 GFADRO O=C1[C@@H]([NH2+]CC2(c3ccc(Br)cc3)CCOCC2)CCN1C1CC1 ZINC000482653098 564548022 /nfs/dbraw/zinc/54/80/22/564548022.db2.gz WIOGJMDTPAITHY-KRWDZBQOSA-N 1 0 393.325 2.850 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)N[C@H](CCO)c2ccccc2Br)C[N@@H+]1C1CC1 ZINC000518242950 564548833 /nfs/dbraw/zinc/54/88/33/564548833.db2.gz YIVNQWBTVJVIAO-PBFPGSCMSA-N 1 0 396.329 2.797 20 0 GFADRO C[C@H]1C[C@@H]1[N@@H+]1CCN(C(=O)c2cn3ccc(Br)cc3n2)C[C@@H](C)C1 ZINC000571391036 564549375 /nfs/dbraw/zinc/54/93/75/564549375.db2.gz VASIWTZPQQLXDI-XEZPLFJOSA-N 1 0 391.313 2.899 20 0 GFADRO COc1cc(NC(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc(OC)c1Br ZINC000571414940 564550301 /nfs/dbraw/zinc/55/03/01/564550301.db2.gz MJLBCOBLBDNZOQ-GRYCIOLGSA-N 1 0 398.301 2.976 20 0 GFADRO CS[C@H]1CN(Cc2ccc(Cl)cc2-n2cncn2)C[C@@H]1[NH+]1CCCC1 ZINC000482822138 564550630 /nfs/dbraw/zinc/55/06/30/564550630.db2.gz DTLRPKVIWDJKJK-ROUUACIJSA-N 1 0 377.945 2.932 20 0 GFADRO C[C@@H]([NH3+])C[C@H](C)NC(=O)NCc1ccc(Cl)cc1I ZINC000571439527 564551813 /nfs/dbraw/zinc/55/18/13/564551813.db2.gz PXZIIXKBKZMSJK-BDAKNGLRSA-N 1 0 395.672 2.870 20 0 GFADRO C[C@@H]1CCC[N@H+](CCNC(=O)NCCOc2cccc(Br)c2)C1 ZINC000518377343 564552507 /nfs/dbraw/zinc/55/25/07/564552507.db2.gz HCDJTVWYEIACIW-CQSZACIVSA-N 1 0 384.318 2.859 20 0 GFADRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)CCC[S@](=O)c2ccc(Br)cc2)C1 ZINC000571510347 564554450 /nfs/dbraw/zinc/55/44/50/564554450.db2.gz HBOSIURQYJGMIL-OQQHHNTDSA-N 1 0 387.343 2.581 20 0 GFADRO C[N@H+](CC(=O)N[C@@H](CCO)c1ccc(Cl)c(Cl)c1)[C@H]1CCSC1 ZINC000518505252 564555365 /nfs/dbraw/zinc/55/53/65/564555365.db2.gz NGVJWABSMYXRCW-WFASDCNBSA-N 1 0 377.337 2.970 20 0 GFADRO Cc1nnc([C@H]2CC[N@H+](CCC(=O)Nc3cccc(Br)c3)C2)[nH]1 ZINC000571527911 564555450 /nfs/dbraw/zinc/55/54/50/564555450.db2.gz OXJHIUFQWYNQHP-LBPRGKRZSA-N 1 0 378.274 2.694 20 0 GFADRO C[C@@H]1CCc2c(sc3nc(C[NH2+]C4(CO)CCSCC4)nc(N)c32)C1 ZINC000518715063 564560931 /nfs/dbraw/zinc/56/09/31/564560931.db2.gz PCFGGSGJLPJRRW-LLVKDONJSA-N 1 0 378.567 2.746 20 0 GFADRO CC[C@@H]([NH2+]C[C@H](O)COc1ccc(Cl)cc1Br)[C@@H](O)CC ZINC000571681963 564561979 /nfs/dbraw/zinc/56/19/79/564561979.db2.gz RKDLUKCZKLDFEI-YUTCNCBUSA-N 1 0 380.710 2.981 20 0 GFADRO CSCC[N@H+](C)CC(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000483292577 564562503 /nfs/dbraw/zinc/56/25/03/564562503.db2.gz GWSGBODRMMUJCV-UHFFFAOYSA-N 1 0 375.460 2.649 20 0 GFADRO C[C@@H]1CN(C(=O)Nc2nc(CC(F)(F)F)cs2)CC[N@@H+]1CC(C)(C)O ZINC000455685461 564564860 /nfs/dbraw/zinc/56/48/60/564564860.db2.gz MXSUHODESHIXDV-SNVBAGLBSA-N 1 0 380.436 2.557 20 0 GFADRO Cc1ccc(Br)c(S(=O)(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000518978583 564566774 /nfs/dbraw/zinc/56/67/74/564566774.db2.gz ZRNRDMKKRSAZOZ-ZIAGYGMSSA-N 1 0 387.343 2.768 20 0 GFADRO O=C([C@H](c1ccc(Br)cc1)N1CCCC1)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000571797578 564566965 /nfs/dbraw/zinc/56/69/65/564566965.db2.gz XGLJQYUFKVOEIO-RYRKJORJSA-N 1 0 392.341 2.654 20 0 GFADRO Cc1ccc(F)c(Br)c1NC(=O)N[C@H](C)CN1CC[NH+](C)CC1 ZINC000455744782 564568867 /nfs/dbraw/zinc/56/88/67/564568867.db2.gz FMUOKYHZZNLBKF-GFCCVEGCSA-N 1 0 387.297 2.654 20 0 GFADRO CC1(C)CCC[NH2+][C@H]1CNC(=O)Cc1cc2c(cc1Br)OCCO2 ZINC000519140536 564570160 /nfs/dbraw/zinc/57/01/60/564570160.db2.gz NPLSJNMHLXHVRS-INIZCTEOSA-N 1 0 397.313 2.657 20 0 GFADRO C[NH+](C)CCOc1ccc(CCNS(=O)(=O)c2ccccc2Cl)cc1 ZINC000519152879 564571403 /nfs/dbraw/zinc/57/14/03/564571403.db2.gz MPURWVXPLUDIOZ-UHFFFAOYSA-N 1 0 382.913 2.801 20 0 GFADRO COC(=O)c1cc(Cl)ccc1S(=O)(=O)NCCCCC[NH+]1CCCC1 ZINC000519188680 564571477 /nfs/dbraw/zinc/57/14/77/564571477.db2.gz ZFBMBBOXPNBMEW-UHFFFAOYSA-N 1 0 388.917 2.671 20 0 GFADRO C[N@@H+]1CCC[C@H](CNC(=O)N[C@H]2CCOc3c(Br)cccc32)C1 ZINC000548761100 564573027 /nfs/dbraw/zinc/57/30/27/564573027.db2.gz RNKXDHRQPQUBQI-DOMZBBRYSA-N 1 0 382.302 2.914 20 0 GFADRO C[C@@H]1C[C@H](N(C)C(=O)Nc2cc(N(C)C)c(Br)cn2)CC[N@@H+]1C ZINC000455860581 564575588 /nfs/dbraw/zinc/57/55/88/564575588.db2.gz FHWMOHKZFJTOJH-VXGBXAGGSA-N 1 0 384.322 2.857 20 0 GFADRO Cc1nc2cc(Cl)c(NC(=O)C(=O)NC[C@@H](C3CC3)[NH+](C)C)cc2s1 ZINC000483879151 564576216 /nfs/dbraw/zinc/57/62/16/564576216.db2.gz JSOSEOHTWDLKQD-AWEZNQCLSA-N 1 0 380.901 2.653 20 0 GFADRO C[N@@H+]1CCC[C@@]2(CCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3F)C2)C1 ZINC000572009251 564576941 /nfs/dbraw/zinc/57/69/41/564576941.db2.gz FCVGQAGNAKPZCS-OAHLLOKOSA-N 1 0 380.407 2.951 20 0 GFADRO OC[C@H](C[NH2+]C[C@H](O)COc1ccccc1Cl)Cc1ccncc1Cl ZINC000572039232 564578988 /nfs/dbraw/zinc/57/89/88/564578988.db2.gz OIHAVTWLZMOUAI-ZFWWWQNUSA-N 1 0 385.291 2.569 20 0 GFADRO CC(=O)N(c1nc(CN2CCO[C@H](C[NH3+])C2)cs1)c1cccc(Cl)c1 ZINC000572038396 564579136 /nfs/dbraw/zinc/57/91/36/564579136.db2.gz GOUYHURSMPVMHL-MRXNPFEDSA-N 1 0 380.901 2.641 20 0 GFADRO [NH3+][C@H]1CCC[C@@H](CNC(=O)c2ccn(-c3cccc(Br)c3)n2)C1 ZINC000519536302 564579832 /nfs/dbraw/zinc/57/98/32/564579832.db2.gz CTEACAIXBPMWHD-OCCSQVGLSA-N 1 0 377.286 2.882 20 0 GFADRO COc1cc([C@H](C)[NH2+]C[C@H]2CCN(S(=O)(=O)c3cccs3)C2)ccn1 ZINC000519541325 564580597 /nfs/dbraw/zinc/58/05/97/564580597.db2.gz CFOHSSBGCPLNFJ-UONOGXRCSA-N 1 0 381.523 2.513 20 0 GFADRO O=C1C[C@H](NCc2cn(-c3cccc(Cl)c3Cl)nn2)[C@H]2CCCCN12 ZINC000548976076 564582132 /nfs/dbraw/zinc/58/21/32/564582132.db2.gz JQDXFFIIRSGEPH-UONOGXRCSA-N 1 0 380.279 2.817 20 0 GFADRO Cc1cc(C(=O)N2CC[C@@H]([C@H](C)[NH3+])C2)nn1-c1ccc(Br)cc1 ZINC000484133606 564582423 /nfs/dbraw/zinc/58/24/23/564582423.db2.gz NRVSGKBGHVUJQB-QWHCGFSZSA-N 1 0 377.286 2.753 20 0 GFADRO C[NH+](C)CC1CCC(NC(=O)c2ccc(I)cn2)CC1 ZINC000455984346 564582802 /nfs/dbraw/zinc/58/28/02/564582802.db2.gz CBJQYIKMDDZVCK-UHFFFAOYSA-N 1 0 387.265 2.536 20 0 GFADRO Cc1nc2cc(Cl)c(NC(=O)C(=O)N(C)C[C@@H]3CC[N@H+](C)C3)cc2s1 ZINC000484237581 564584539 /nfs/dbraw/zinc/58/45/39/564584539.db2.gz RABUDUBMYRFDLS-LLVKDONJSA-N 1 0 380.901 2.607 20 0 GFADRO [NH3+]C[C@H](NC(=O)Nc1ccnn1-c1ccc(Br)cn1)C1CCCC1 ZINC000572224612 564584922 /nfs/dbraw/zinc/58/49/22/564584922.db2.gz AEFQYJKCIUMUMK-ZDUSSCGKSA-N 1 0 393.289 2.669 20 0 GFADRO CC(C)(CO)CC[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000572242957 564585858 /nfs/dbraw/zinc/58/58/58/564585858.db2.gz FEZPZQKMLWISCB-GFCCVEGCSA-N 1 0 380.710 2.840 20 0 GFADRO Brc1ccccc1-n1cc(CN2CC[C@@H]([NH+]3CCCC3)C2)nn1 ZINC000519673933 564586448 /nfs/dbraw/zinc/58/64/48/564586448.db2.gz OQXDOMNVJLHKMC-OAHLLOKOSA-N 1 0 376.302 2.700 20 0 GFADRO CNS(=O)(=O)CCC[NH2+][C@](C)(c1ccc(Br)cc1)C(C)C ZINC000484325181 564586574 /nfs/dbraw/zinc/58/65/74/564586574.db2.gz BFHCBKPHHWQSJR-HNNXBMFYSA-N 1 0 377.348 2.849 20 0 GFADRO O=C(C[C@@H]1CCC[NH2+]1)NCc1cc(Br)ccc1Br ZINC000519711314 564587853 /nfs/dbraw/zinc/58/78/53/564587853.db2.gz IXTBDTBGVDRGGW-NSHDSACASA-N 1 0 376.092 2.970 20 0 GFADRO C[NH+](C)C[C@@H](NC(=O)[C@H]1CCN(CC(F)(F)F)C1)c1ccc(Cl)cc1 ZINC000549233465 564588603 /nfs/dbraw/zinc/58/86/03/564588603.db2.gz ZJNREUOUTCCGGU-DZGCQCFKSA-N 1 0 377.838 2.943 20 0 GFADRO O[C@H](C[NH2+][C@@H]1CCCOc2ccc(I)cc21)C(F)F ZINC000484489870 564589270 /nfs/dbraw/zinc/58/92/70/564589270.db2.gz PLYBEZXMDSOGBD-GHMZBOCLSA-N 1 0 383.176 2.721 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3c(Cl)cccc3I)C[C@@H]21 ZINC000456170596 564591960 /nfs/dbraw/zinc/59/19/60/564591960.db2.gz QENYRYQNJORVSI-SKDRFNHKSA-N 1 0 390.652 2.721 20 0 GFADRO C[C@@H]1CN(C(=O)CCCc2ccc(Br)s2)C[C@H](C)[N@H+]1CCO ZINC000456225013 564596553 /nfs/dbraw/zinc/59/65/53/564596553.db2.gz MVKBXVPRMZNVLU-BETUJISGSA-N 1 0 389.359 2.747 20 0 GFADRO O=C(NCCOc1ccc(Br)cc1)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000520113683 564597281 /nfs/dbraw/zinc/59/72/81/564597281.db2.gz AKAJIEOYXXPYNG-HOTGVXAUSA-N 1 0 382.302 2.754 20 0 GFADRO O=S(=O)(c1cc(Cl)ccc1Br)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000572601573 564601713 /nfs/dbraw/zinc/60/17/13/564601713.db2.gz UEHGAKORDKJCFJ-PHIMTYICSA-N 1 0 393.734 2.723 20 0 GFADRO O=C(NCCC1=CC[NH2+]CC1)N[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000520374629 564602384 /nfs/dbraw/zinc/60/23/84/564602384.db2.gz OSRCPSZOVALIKA-MRXNPFEDSA-N 1 0 393.329 2.637 20 0 GFADRO CC[NH+]1CCC(NC(=O)CN(C)Cc2ccc(F)cc2Br)CC1 ZINC000485010998 564604726 /nfs/dbraw/zinc/60/47/26/564604726.db2.gz YVLZCYGAOKHMMJ-UHFFFAOYSA-N 1 0 386.309 2.621 20 0 GFADRO O=C(Nc1ccc(F)c(Br)c1)C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000485031822 564605118 /nfs/dbraw/zinc/60/51/18/564605118.db2.gz VFIYVCILKZGIJN-UHFFFAOYSA-N 1 0 398.276 2.660 20 0 GFADRO COCCN(CC[NH+](C)C)C(=O)NCc1c(C)cc(Br)cc1C ZINC000520619833 564609482 /nfs/dbraw/zinc/60/94/82/564609482.db2.gz AZBQMEOQJBDRDE-UHFFFAOYSA-N 1 0 386.334 2.786 20 0 GFADRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(Br)c(O)c(OC)c2)[C@@H]1n1cccn1 ZINC000549939379 564609656 /nfs/dbraw/zinc/60/96/56/564609656.db2.gz MDXFZAXKJWISBL-FMKPAKJESA-N 1 0 396.285 2.868 20 0 GFADRO COCCN(CC[NH+](C)C)C(=O)c1ccn(-c2ccc(Cl)c(Cl)c2)n1 ZINC000520722987 564611330 /nfs/dbraw/zinc/61/13/30/564611330.db2.gz XKLNLAJFWYYCGD-UHFFFAOYSA-N 1 0 385.295 2.829 20 0 GFADRO CCS[C@@H]1CCC[C@H](NC(=O)C(=O)NC[C@@H](c2cccs2)[NH+](C)C)C1 ZINC000550001832 564612379 /nfs/dbraw/zinc/61/23/79/564612379.db2.gz PTRDGUHXWPAEGQ-ZNMIVQPWSA-N 1 0 383.583 2.648 20 0 GFADRO [NH3+]C1(c2noc(-c3cc(I)c(F)cc3F)n2)CCC1 ZINC000520811489 564614124 /nfs/dbraw/zinc/61/41/24/564614124.db2.gz KITUIVIIZRAJHJ-UHFFFAOYSA-N 1 0 377.132 2.957 20 0 GFADRO C[C@@H](NC(=O)Cc1ccc(Cl)c(Cl)c1)C(=O)NCC[NH+]1CCCCC1 ZINC000550138096 564615464 /nfs/dbraw/zinc/61/54/64/564615464.db2.gz VFEISYQVNJNHKI-CYBMUJFWSA-N 1 0 386.323 2.643 20 0 GFADRO O[C@@H]1CCC[N@H+](CCCOc2cccc(I)c2)CC1 ZINC000550158246 564615988 /nfs/dbraw/zinc/61/59/88/564615988.db2.gz UIMCYAGKIUDQPT-CQSZACIVSA-N 1 0 375.250 2.907 20 0 GFADRO CC[C@H](C)[NH+]1CCN(C(=O)[C@@H](C)NC(=O)c2ccc(Br)cc2)CC1 ZINC000456563148 564617025 /nfs/dbraw/zinc/61/70/25/564617025.db2.gz WIYJQOWKTGLSRH-UONOGXRCSA-N 1 0 396.329 2.510 20 0 GFADRO Cc1ccc(Cl)c(OC[C@@H](O)C[NH2+]Cc2cn(C)nc2C(F)(F)F)c1 ZINC000572993256 564617791 /nfs/dbraw/zinc/61/77/91/564617791.db2.gz VIPNTFZNTAJUJU-LBPRGKRZSA-N 1 0 377.794 2.930 20 0 GFADRO COc1cc(C[NH2+]C[C@@H](O)CCOC(C)C)cc(Br)c1OC ZINC000572992442 564618201 /nfs/dbraw/zinc/61/82/01/564618201.db2.gz LWNMSZKNIXNXEJ-ZDUSSCGKSA-N 1 0 376.291 2.732 20 0 GFADRO COCCN(Cc1sccc1Br)C(=O)C[C@@H]1CCC[NH2+]C1 ZINC000573019216 564620221 /nfs/dbraw/zinc/62/02/21/564620221.db2.gz QNNUDNJFJKQIAX-LBPRGKRZSA-N 1 0 375.332 2.875 20 0 GFADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)CCc1nc2cc(Cl)ccc2s1 ZINC000521234608 564622805 /nfs/dbraw/zinc/62/28/05/564622805.db2.gz XIWPQRGOBBJVKG-ZDUSSCGKSA-N 1 0 380.945 2.634 20 0 GFADRO CC(C)(CCCO)C[NH2+]CCS(=O)(=O)c1cccc(Br)c1 ZINC000521426628 564626712 /nfs/dbraw/zinc/62/67/12/564626712.db2.gz JZADPMHEIHPMIJ-UHFFFAOYSA-N 1 0 378.332 2.611 20 0 GFADRO NC(=O)c1cccc(CC[NH2+]C[C@@H](O)COc2ccc(Cl)cc2Cl)c1 ZINC000521426617 564626725 /nfs/dbraw/zinc/62/67/25/564626725.db2.gz JOKIYFVKJCKEFW-OAHLLOKOSA-N 1 0 383.275 2.664 20 0 GFADRO C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)NCCc1cc(Cl)cc(Cl)c1 ZINC000550687251 564628885 /nfs/dbraw/zinc/62/88/85/564628885.db2.gz UNQCPMHPUVAAJG-ZDUSSCGKSA-N 1 0 386.323 2.643 20 0 GFADRO CC(C)(C)[C@H](O)C[N@@H+]1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000550713045 564629526 /nfs/dbraw/zinc/62/95/26/564629526.db2.gz SFDNJXFHXAEYDI-GXTWGEPZSA-N 1 0 384.318 2.902 20 0 GFADRO CC(C)(C)[C@@H](O)C[N@@H+]1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000550713046 564629693 /nfs/dbraw/zinc/62/96/93/564629693.db2.gz SFDNJXFHXAEYDI-JSGCOSHPSA-N 1 0 384.318 2.902 20 0 GFADRO O[C@H](C[NH2+][C@@H]1c2ccccc2C[C@@H]1O)COc1cc(F)cc(Br)c1 ZINC000573248815 564630595 /nfs/dbraw/zinc/63/05/95/564630595.db2.gz JOJUBPLOULPLPQ-FHLIZLRMSA-N 1 0 396.256 2.576 20 0 GFADRO COc1cc(C(=O)N2CC[C@H]3CC[N@H+](C)C[C@@H]32)cc(Br)c1OC ZINC000550792960 564631361 /nfs/dbraw/zinc/63/13/61/564631361.db2.gz FSROKBDQTMITFT-RISCZKNCSA-N 1 0 383.286 2.633 20 0 GFADRO C[C@H](CNC(=O)N[C@H](C)c1ncc(Br)cn1)[N@@H+]1CCC[C@@H](C)C1 ZINC000573307381 564631968 /nfs/dbraw/zinc/63/19/68/564631968.db2.gz NCAXYOCYDVAVBH-JHJVBQTASA-N 1 0 384.322 2.720 20 0 GFADRO C[NH+](C)CCN(Cc1ccccc1)S(=O)(=O)c1ccc(Br)o1 ZINC000573313241 564633137 /nfs/dbraw/zinc/63/31/37/564633137.db2.gz NJYCZXWONKAGIG-UHFFFAOYSA-N 1 0 387.299 2.795 20 0 GFADRO CC[NH+](CC)[C@@H](CNC(=O)C(=O)NCc1ccc(C)s1)c1ccsc1 ZINC000550876472 564633336 /nfs/dbraw/zinc/63/33/36/564633336.db2.gz HRSUGBZHCMWTHT-INIZCTEOSA-N 1 0 379.551 2.934 20 0 GFADRO CS(=O)(=O)N[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc(Br)cc(F)c1F ZINC000573328465 564633744 /nfs/dbraw/zinc/63/37/44/564633744.db2.gz NNPFGWKRBPCEBW-QWHCGFSZSA-N 1 0 397.285 2.677 20 0 GFADRO Cc1cc(Br)cc(Cl)c1NC(=O)C(=O)NCCC[NH2+]C(C)C ZINC000573426581 564637526 /nfs/dbraw/zinc/63/75/26/564637526.db2.gz OFUBELDLTMYMDV-UHFFFAOYSA-N 1 0 390.709 2.854 20 0 GFADRO O=S(=O)(c1cc(Cl)ccc1OC(F)F)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000521875236 564637619 /nfs/dbraw/zinc/63/76/19/564637619.db2.gz WCDHIQYKRJUQFD-OAHLLOKOSA-N 1 0 380.844 2.706 20 0 GFADRO O=C(Nc1ccnc(Oc2ccccc2Br)c1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000573460841 564639202 /nfs/dbraw/zinc/63/92/02/564639202.db2.gz RJFMDARJZONHLB-ATCWAGBWSA-N 1 0 389.253 2.976 20 0 GFADRO O=C(N[C@@H]1CCN(c2ccc(Br)cc2)C1)N1CC[NH+]2CCC1CC2 ZINC000551195299 564640947 /nfs/dbraw/zinc/64/09/47/564640947.db2.gz DVXZIZXALCOQSO-OAHLLOKOSA-N 1 0 393.329 2.517 20 0 GFADRO COc1ccc(C[NH2+]C[C@@H](O)COc2ccc(Cl)cc2Cl)c(OC)n1 ZINC000521995793 564641651 /nfs/dbraw/zinc/64/16/51/564641651.db2.gz KHHRKMMKUPBUIN-CYBMUJFWSA-N 1 0 387.263 2.935 20 0 GFADRO Cc1ccc(-c2nc(NC(=O)C(=O)N(C)CCC[NH+](C)C)sc2C)s1 ZINC000522004799 564641748 /nfs/dbraw/zinc/64/17/48/564641748.db2.gz QRBHEGCUJKZSNY-UHFFFAOYSA-N 1 0 380.539 2.837 20 0 GFADRO C[C@H](Nc1cc(N2CCSCC2)ncn1)c1ncc(Br)cn1 ZINC000573543660 564642266 /nfs/dbraw/zinc/64/22/66/564642266.db2.gz WLWDPUJSCULZOZ-JTQLQIEISA-N 1 0 381.303 2.755 20 0 GFADRO O=C(N[C@@H](CO)C[NH+]1CCCCC1)[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000573544821 564642528 /nfs/dbraw/zinc/64/25/28/564642528.db2.gz VDZVKGKUYXVMDZ-IXDOHACOSA-N 1 0 381.314 2.516 20 0 GFADRO C[C@H](NC(=O)NCc1n[nH]cc1Br)[C@@H](c1ccccc1)[NH+](C)C ZINC000573589338 564645490 /nfs/dbraw/zinc/64/54/90/564645490.db2.gz BNGQSMLBMRIXQI-NHYWBVRUSA-N 1 0 380.290 2.663 20 0 GFADRO C[N@H+](CC(=O)N1CCO[C@H](c2cccc(Br)c2)C1)[C@H]1CCSC1 ZINC000486290143 564647210 /nfs/dbraw/zinc/64/72/10/564647210.db2.gz GKGGJFJLAVUFFD-HOTGVXAUSA-N 1 0 399.354 2.786 20 0 GFADRO CNC(=O)Cc1nc(C[NH2+][C@H]2CCN(C)[C@@H]2c2ccc(Cl)cc2)cs1 ZINC000573648823 564647831 /nfs/dbraw/zinc/64/78/31/564647831.db2.gz QTXXBUADZRGNGY-MAUKXSAKSA-N 1 0 378.929 2.620 20 0 GFADRO C[C@H](CNC(=O)c1cc(Br)cc2ccccc21)N1CC[NH+](C)CC1 ZINC000522266367 564648963 /nfs/dbraw/zinc/64/89/63/564648963.db2.gz XRDLRGSFOJNBPO-CQSZACIVSA-N 1 0 390.325 2.968 20 0 GFADRO C[C@@H](Sc1cc(Cl)ccc1Cl)C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000573719213 564650652 /nfs/dbraw/zinc/65/06/52/564650652.db2.gz ZFCMXXWLYCSPIH-OCCSQVGLSA-N 1 0 388.364 2.980 20 0 GFADRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)c2cc(I)c[nH]2)C1 ZINC000522388672 564651052 /nfs/dbraw/zinc/65/10/52/564651052.db2.gz FQVOSUXKRYGXIO-RYUDHWBXSA-N 1 0 389.281 2.717 20 0 GFADRO COCC[N@@H+]1CC[C@@H](NC(=O)Nc2ccc(Br)cc2Cl)C1 ZINC000522846343 564657446 /nfs/dbraw/zinc/65/74/46/564657446.db2.gz YWASBTNTDMTXQO-LLVKDONJSA-N 1 0 376.682 2.945 20 0 GFADRO C[N@@H+]1CCC[C@@H](CNC(=O)N[C@@H](c2cncc(Br)c2)C2CC2)C1 ZINC000551655392 564658707 /nfs/dbraw/zinc/65/87/07/564658707.db2.gz UDAMDXXPFKJELE-BLLLJJGKSA-N 1 0 381.318 2.936 20 0 GFADRO O=C(c1n[nH]c2ccc(Br)cc21)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000573918104 564659819 /nfs/dbraw/zinc/65/98/19/564659819.db2.gz NNODPGLHQJWTGW-NWDGAFQWSA-N 1 0 377.286 2.787 20 0 GFADRO CCNC(=O)C[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(Br)cc1 ZINC000551721499 564661762 /nfs/dbraw/zinc/66/17/62/564661762.db2.gz WXQONRRTKBCRDC-OAHLLOKOSA-N 1 0 382.302 2.768 20 0 GFADRO C[N@@H+]1CC[C@H]2CCN(c3ncnc4ccc(I)cc43)[C@@H]2C1 ZINC000486680171 564662041 /nfs/dbraw/zinc/66/20/41/564662041.db2.gz BMKLJVHTKANSMJ-XHDPSFHLSA-N 1 0 394.260 2.765 20 0 GFADRO Cc1cc(S(=O)(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@H]32)c(C)cc1Br ZINC000486696677 564663273 /nfs/dbraw/zinc/66/32/73/564663273.db2.gz MVPVEYBJVINMBE-DZGCQCFKSA-N 1 0 387.343 2.781 20 0 GFADRO COC(=O)c1c(Br)ccc(NC(=O)NC[C@@H]2CCC[N@@H+]2C)c1C ZINC000486741196 564664930 /nfs/dbraw/zinc/66/49/30/564664930.db2.gz XTXNXPAKGSVZTC-NSHDSACASA-N 1 0 384.274 2.760 20 0 GFADRO CNC(=O)[C@@H]([NH2+]Cc1cn(-c2ccc(Br)cc2)nc1C)C(C)C ZINC000486787473 564666182 /nfs/dbraw/zinc/66/61/82/564666182.db2.gz IQMOINFZIUGUJG-INIZCTEOSA-N 1 0 379.302 2.803 20 0 GFADRO O=C(NCc1nc2cc(Br)cnc2[nH]1)C1C[NH+](C2CCCCC2)C1 ZINC000457597718 564666500 /nfs/dbraw/zinc/66/65/00/564666500.db2.gz KKKJZFPGYQZHCE-UHFFFAOYSA-N 1 0 392.301 2.601 20 0 GFADRO COCC[N@@H+]1CC[C@H](NC(=O)N(Cc2cccc(Br)c2)C2CC2)C1 ZINC000523429203 564666532 /nfs/dbraw/zinc/66/65/32/564666532.db2.gz NVFZTNKTFRJQHB-INIZCTEOSA-N 1 0 396.329 2.844 20 0 GFADRO C[C@@H](CNC(=O)c1cc(F)ccc1I)[NH+]1CCCC1 ZINC000523508406 564668455 /nfs/dbraw/zinc/66/84/55/564668455.db2.gz BKCUICHENXPQGW-JTQLQIEISA-N 1 0 376.213 2.644 20 0 GFADRO O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)c1cc(Br)co1 ZINC000457681116 564669147 /nfs/dbraw/zinc/66/91/47/564669147.db2.gz HQKRSEMYATUAPZ-ZBFHGGJFSA-N 1 0 393.281 2.655 20 0 GFADRO C[C@H](NC(=O)N[C@H]1CCC[N@H+](CCCO)C1)c1cccc(Br)c1 ZINC000457678655 564669288 /nfs/dbraw/zinc/66/92/88/564669288.db2.gz OPOWHWVJJWELAC-BBRMVZONSA-N 1 0 384.318 2.656 20 0 GFADRO C[C@@H](NC(=O)N[C@@H]1CCC[N@H+](CCCO)C1)c1cccc(Br)c1 ZINC000457678658 564669296 /nfs/dbraw/zinc/66/92/96/564669296.db2.gz OPOWHWVJJWELAC-CZUORRHYSA-N 1 0 384.318 2.656 20 0 GFADRO CC[NH+](CC)CC[C@@H](CO)NC(=O)Nc1cc(F)cc(Br)c1F ZINC000551954284 564670419 /nfs/dbraw/zinc/67/04/19/564670419.db2.gz WZLWJOJWCDZEGP-NSHDSACASA-N 1 0 394.260 2.942 20 0 GFADRO C[C@@H]1CN(C(=O)c2c(O)cnc3c(Br)cccc32)[C@@H](C)C[N@@H+]1C ZINC000486946174 564670804 /nfs/dbraw/zinc/67/08/04/564670804.db2.gz YEFMQFKPLPYROX-MNOVXSKESA-N 1 0 378.270 2.868 20 0 GFADRO CC(C)[C@@H]1CN(C(=O)Nc2ccc(NS(C)(=O)=O)c(Cl)c2)CC[N@@H+]1C ZINC000486962317 564671531 /nfs/dbraw/zinc/67/15/31/564671531.db2.gz CAQGGMLSBXGIBT-HNNXBMFYSA-N 1 0 388.921 2.515 20 0 GFADRO CCn1cc(Br)cc1C(=O)Nc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000523704014 564671702 /nfs/dbraw/zinc/67/17/02/564671702.db2.gz PQSREEVJDWWSLB-UHFFFAOYSA-N 1 0 392.301 2.670 20 0 GFADRO C[C@@H](Cc1ccc(O)cc1)[NH2+]C[C@@H]1CCN(S(=O)(=O)c2cccs2)C1 ZINC000552032762 564674915 /nfs/dbraw/zinc/67/49/15/564674915.db2.gz PSRGPJXGNHHULB-HOCLYGCPSA-N 1 0 380.535 2.685 20 0 GFADRO CCn1cc([C@@H](C)[NH2+]CCNS(=O)(=O)c2cccc(Cl)c2Cl)cn1 ZINC000552089799 564676644 /nfs/dbraw/zinc/67/66/44/564676644.db2.gz WFUFJHSCOUKNEJ-LLVKDONJSA-N 1 0 391.324 2.839 20 0 GFADRO CC(C)[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000574512355 564676912 /nfs/dbraw/zinc/67/69/12/564676912.db2.gz PTMLYHVUKFYRLT-QAPCUYQASA-N 1 0 383.945 2.758 20 0 GFADRO OC[C@@H](C[NH2+]C[C@@H](O)COc1cc(Cl)ccc1Cl)Cc1cccnc1 ZINC000574519345 564676979 /nfs/dbraw/zinc/67/69/79/564676979.db2.gz OQKWSPQRNWRHGZ-GDBMZVCRSA-N 1 0 385.291 2.569 20 0 GFADRO O=C(NC[C@@]1(O)C[NH+]2CCC1CC2)c1csc(-c2cccc(Cl)c2)n1 ZINC000574539730 564678161 /nfs/dbraw/zinc/67/81/61/564678161.db2.gz BEWZNOLXBVPJHD-GOSISDBHSA-N 1 0 377.897 2.650 20 0 GFADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)NCCOc1cccc(Cl)c1Cl ZINC000524264731 564678941 /nfs/dbraw/zinc/67/89/41/564678941.db2.gz FOKNTODIVKXFMQ-ZDUSSCGKSA-N 1 0 390.311 2.782 20 0 GFADRO Cn1ncc(Br)c1C[NH2+]C[C@@H]1CSCCN1Cc1ccccc1 ZINC000487211671 564679307 /nfs/dbraw/zinc/67/93/07/564679307.db2.gz WVYQXSQBKQGLLQ-OAHLLOKOSA-N 1 0 395.370 2.890 20 0 GFADRO CCN(CC)S(=O)(=O)c1cc(NC(=O)[C@@H]2CCCCC[NH2+]2)ccc1Cl ZINC000574573571 564679940 /nfs/dbraw/zinc/67/99/40/564679940.db2.gz XUIXEEUGXCFJJC-HNNXBMFYSA-N 1 0 387.933 2.841 20 0 GFADRO O=C(N[C@H]1CCc2cc(Br)ccc21)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000457960211 564681551 /nfs/dbraw/zinc/68/15/51/564681551.db2.gz XPSQUPWSLXRFRD-WBVHZDCISA-N 1 0 396.329 2.582 20 0 GFADRO CS(=O)(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccc(Sc2ccccn2)o1 ZINC000552243585 564682609 /nfs/dbraw/zinc/68/26/09/564682609.db2.gz DWLLWTAHHNYYGO-CQSZACIVSA-N 1 0 381.523 2.730 20 0 GFADRO C[C@H]1C[C@@H](NC(=O)c2ccc(I)c(F)c2)CC[N@@H+]1C ZINC000524651124 564684833 /nfs/dbraw/zinc/68/48/33/564684833.db2.gz JNRAERAUIKUOGJ-ONGXEEELSA-N 1 0 376.213 2.643 20 0 GFADRO Cc1nc(S(=O)(=O)[N-]C[C@H](C)N2CCCC[C@@H]2C)sc1Br ZINC000574711684 564685751 /nfs/dbraw/zinc/68/57/51/564685751.db2.gz FXQBSWAJWLBAGD-UWVGGRQHSA-N 1 0 396.376 2.755 20 0 GFADRO C[C@H](NC(=O)c1ccc(Br)cc1)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000487409538 564687200 /nfs/dbraw/zinc/68/72/00/564687200.db2.gz DZXVOPKRTKXVFR-VBNZEHGJSA-N 1 0 396.329 2.556 20 0 GFADRO CC(C)[NH+]1CCC(N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)CC1 ZINC000487525338 564690183 /nfs/dbraw/zinc/69/01/83/564690183.db2.gz LLQRHGDCFQNJGE-UHFFFAOYSA-N 1 0 391.990 2.581 20 0 GFADRO CC1(C)[C@H]([NH2+]Cc2cc(=O)n3cc(Br)ccc3n2)[C@H]2CCCO[C@H]21 ZINC000575001522 564691033 /nfs/dbraw/zinc/69/10/33/564691033.db2.gz XITFZAKMOPOJAI-KBRIMQKVSA-N 1 0 392.297 2.750 20 0 GFADRO CCc1ccccc1[C@@H]([NH3+])CNC(=O)c1cc(Br)cnc1N(C)C ZINC000575127302 564692575 /nfs/dbraw/zinc/69/25/75/564692575.db2.gz CZPHWXVAIGWFEM-INIZCTEOSA-N 1 0 391.313 2.902 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)C[N@@H+](C)[C@@H](C)C1CC1 ZINC000552494192 564693344 /nfs/dbraw/zinc/69/33/44/564693344.db2.gz ZKAJXXDUKSWPCL-ZDUSSCGKSA-N 1 0 396.329 2.885 20 0 GFADRO CC[NH+](CC)CCCNC(=O)C(=O)N[C@H](C)Cc1ccc(Cl)cc1Cl ZINC000552523511 564693971 /nfs/dbraw/zinc/69/39/71/564693971.db2.gz JVBBIGLVMTZUKF-CYBMUJFWSA-N 1 0 388.339 2.889 20 0 GFADRO CCCC[N@H+](C)CCNC(=O)C(=O)N[C@H](C)Cc1ccc(Cl)cc1Cl ZINC000552523198 564694119 /nfs/dbraw/zinc/69/41/19/564694119.db2.gz AQNSMJRGOFCGQY-CYBMUJFWSA-N 1 0 388.339 2.889 20 0 GFADRO CO[C@@H]1CC[C@H]2OCCN(Cc3cn4ccc(Br)cc4n3)[C@@H]2C1 ZINC000575325915 564696951 /nfs/dbraw/zinc/69/69/51/564696951.db2.gz FKYUZUXZWHFSTD-BZUAXINKSA-N 1 0 380.286 2.865 20 0 GFADRO CC(C)[C@@H]1CN(C[C@H](O)COc2cc(F)cc(Br)c2)CC[N@@H+]1C ZINC000487969750 564700850 /nfs/dbraw/zinc/70/08/50/564700850.db2.gz INIASQNBFKMPAE-RDJZCZTQSA-N 1 0 389.309 2.600 20 0 GFADRO Cc1cc(Br)cn2cc(CNC(=O)N3CC[C@@H](CCCO)C3)nc12 ZINC000458642371 564709747 /nfs/dbraw/zinc/70/97/47/564709747.db2.gz DHVVABKSYFWHKU-CYBMUJFWSA-N 1 0 395.301 2.709 20 0 GFADRO Cc1nccc(NC(=O)NCc2cccc(C[NH+](C)C)c2)c1Br ZINC000525847225 564710337 /nfs/dbraw/zinc/71/03/37/564710337.db2.gz NQGXTARHHTZIQE-UHFFFAOYSA-N 1 0 377.286 2.958 20 0 GFADRO C[C@@H](NC(=O)N[C@@H]1CCC[N@H+](CCCO)C1)c1ccc(Br)s1 ZINC000458689750 564712387 /nfs/dbraw/zinc/71/23/87/564712387.db2.gz NVOKLCVIZCEUJP-VXGBXAGGSA-N 1 0 390.347 2.718 20 0 GFADRO C[C@H](NC(=O)NC[C@H]1CCC[N@@H+]1CCCO)c1ccc(Br)s1 ZINC000458689684 564712444 /nfs/dbraw/zinc/71/24/44/564712444.db2.gz OPTFCNJDXLTCQA-NWDGAFQWSA-N 1 0 390.347 2.718 20 0 GFADRO CC(=O)NCCN(Cc1ccc(Cl)cc1Cl)C(=O)[C@@H]1C[N@@H+](C)C[C@H]1C ZINC000488578018 564714386 /nfs/dbraw/zinc/71/43/86/564714386.db2.gz FPCXUKDOWDIVPN-MLGOLLRUSA-N 1 0 386.323 2.656 20 0 GFADRO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCc1ccc(I)c(Cl)c1 ZINC000488558629 564714888 /nfs/dbraw/zinc/71/48/88/564714888.db2.gz HGKSRPMVZWYMNG-KOLCDFICSA-N 1 0 392.668 2.759 20 0 GFADRO C[C@@H]1C[N@H+](CCCNC(=O)NCCc2cccc(Br)c2)CCCO1 ZINC000458717232 564714987 /nfs/dbraw/zinc/71/49/87/564714987.db2.gz LMVSHJDDCNAQTI-OAHLLOKOSA-N 1 0 398.345 2.792 20 0 GFADRO O=C(NC[C@@H]1CCC[N@H+]1CCCO)N[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000458735532 564715280 /nfs/dbraw/zinc/71/52/80/564715280.db2.gz OIFDMMHOAJKGLX-JLJPHGGASA-N 1 0 386.323 2.995 20 0 GFADRO Cc1ccc(I)cc1NC(=O)COC1CCC([NH3+])CC1 ZINC000576593755 564716113 /nfs/dbraw/zinc/71/61/13/564716113.db2.gz YKEFNVHGZGFJEZ-UHFFFAOYSA-N 1 0 388.249 2.825 20 0 GFADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]Cc1ccc2cnn(C)c2c1 ZINC000576607175 564716122 /nfs/dbraw/zinc/71/61/22/564716122.db2.gz IJVFUQXYZYFXIN-GFCCVEGCSA-N 1 0 375.270 2.676 20 0 GFADRO CC[C@@H]1C[N@H+](CC)CCN1C(=O)NCCCCn1cc(Br)cn1 ZINC000458755720 564717267 /nfs/dbraw/zinc/71/72/67/564717267.db2.gz WMMBCJFOUQXIQF-OAHLLOKOSA-N 1 0 386.338 2.552 20 0 GFADRO CC[N@H+](CCOC)[C@@H](C)C(=O)Nc1ccc(I)cc1 ZINC000488764931 564719603 /nfs/dbraw/zinc/71/96/03/564719603.db2.gz VIKDSQKXDNRLEY-NSHDSACASA-N 1 0 376.238 2.587 20 0 GFADRO C[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccco1)c1ncc(Br)cn1 ZINC000458853667 564720278 /nfs/dbraw/zinc/72/02/78/564720278.db2.gz WXYSSSKYRLFWIF-LBPRGKRZSA-N 1 0 396.289 2.667 20 0 GFADRO COc1cc(C[NH2+][C@@H]2CCOC3(CCOCC3)C2)c(Br)cc1O ZINC000553539742 564725182 /nfs/dbraw/zinc/72/51/82/564725182.db2.gz UHHPSKLLKVXJJE-CYBMUJFWSA-N 1 0 386.286 2.981 20 0 GFADRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1S(=O)(=O)Cc1ccccc1Br ZINC000553558383 564726938 /nfs/dbraw/zinc/72/69/38/564726938.db2.gz WVFOGGNNHBOOAJ-CZUORRHYSA-N 1 0 387.343 2.838 20 0 GFADRO CC(C)(O)C[NH+]1CCN(C(=O)NC/C=C\c2ccc(Br)cc2)CC1 ZINC000458975475 564727710 /nfs/dbraw/zinc/72/77/10/564727710.db2.gz NYXDZFDTXQWXDS-ARJAWSKDSA-N 1 0 396.329 2.560 20 0 GFADRO C[C@H](CNC(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1)Oc1ccccc1Br ZINC000577208127 564729382 /nfs/dbraw/zinc/72/93/82/564729382.db2.gz JJKYTHLVAPCVHD-UMVBOHGHSA-N 1 0 382.302 2.610 20 0 GFADRO OC[C@H](Cc1ccc(O)cc1)[NH2+]C[C@H](O)COc1cc(Cl)ccc1Cl ZINC000577221504 564730241 /nfs/dbraw/zinc/73/02/41/564730241.db2.gz RKSAWMSAFXHECC-HOCLYGCPSA-N 1 0 386.275 2.632 20 0 GFADRO O=C([C@@H](C1CC1)[NH+]1CCCC1)N(CCO)Cc1cccc(Br)c1 ZINC000489121680 564730494 /nfs/dbraw/zinc/73/04/94/564730494.db2.gz GYQZTKNPNWETTP-QGZVFWFLSA-N 1 0 381.314 2.644 20 0 GFADRO CC(C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)NCC1CC[NH2+]CC1 ZINC000577270694 564731483 /nfs/dbraw/zinc/73/14/83/564731483.db2.gz VTBGNBBDMNUKPC-UHFFFAOYSA-N 1 0 386.323 2.846 20 0 GFADRO Cc1ccccc1[C@@H](CO)[NH2+]C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000527128616 564731962 /nfs/dbraw/zinc/73/19/62/564731962.db2.gz HGOBJUIDQCOLTJ-MAUKXSAKSA-N 1 0 398.272 2.960 20 0 GFADRO C[C@@H]1[C@H](NC(=O)NCc2n[nH]cc2Br)CC[N@@H+]1Cc1ccccc1 ZINC000577312243 564733786 /nfs/dbraw/zinc/73/37/86/564733786.db2.gz OLCIZCMHSCOFLZ-IUODEOHRSA-N 1 0 392.301 2.634 20 0 GFADRO O=C(NCC[C@@H]1CC[NH2+]C1)NC[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000577354675 564735497 /nfs/dbraw/zinc/73/54/97/564735497.db2.gz FXKLQGCDXNYEFV-GJZGRUSLSA-N 1 0 395.345 2.574 20 0 GFADRO COCC1(C(=O)N2CCc3cc(Br)cc(C)c3C2)CC[NH2+]CC1 ZINC000577866206 564738205 /nfs/dbraw/zinc/73/82/05/564738205.db2.gz DCRPDCIUKVTBOQ-UHFFFAOYSA-N 1 0 381.314 2.658 20 0 GFADRO CC1(C)C[C@H]([NH2+]C[C@H]2CS(=O)(=O)CCO2)c2cc(Br)ccc21 ZINC000527316544 564738954 /nfs/dbraw/zinc/73/89/54/564738954.db2.gz UOWNCTYCVXRXOO-WFASDCNBSA-N 1 0 388.327 2.575 20 0 GFADRO Cn1cc2c(n1)CCC[C@@H]2[NH2+]C[C@H](O)COc1ccccc1Br ZINC000527316350 564738994 /nfs/dbraw/zinc/73/89/94/564738994.db2.gz GRPWCSAMMRXGLH-WFASDCNBSA-N 1 0 380.286 2.590 20 0 GFADRO CCOc1cc(CN2CC[N@H+](CCOC)[C@H](C)C2)cc(Br)c1O ZINC000459331620 564739782 /nfs/dbraw/zinc/73/97/82/564739782.db2.gz DSIVEKFPFNBZLL-CYBMUJFWSA-N 1 0 387.318 2.706 20 0 GFADRO CS[C@@H]1CN(S(=O)(=O)Cc2cc(Cl)ccc2F)C[C@@H]1[NH+]1CCCC1 ZINC000527327205 564740047 /nfs/dbraw/zinc/74/00/47/564740047.db2.gz OOHODNMZAMMRPG-JKSUJKDBSA-N 1 0 392.949 2.821 20 0 GFADRO COCC[N@H+](C[C@H](O)COc1cc(Cl)ccc1Cl)[C@H]1CCO[C@@H]1C ZINC000489500487 564742102 /nfs/dbraw/zinc/74/21/02/564742102.db2.gz UWZURGKBZARLJL-INWMFGNUSA-N 1 0 378.296 2.859 20 0 GFADRO C[NH2+]C1CCN(C(=O)c2cn(-c3ccc(Br)cc3)nc2C)CC1 ZINC000578355982 564743013 /nfs/dbraw/zinc/74/30/13/564743013.db2.gz MWFZAMZADLKWHZ-UHFFFAOYSA-N 1 0 377.286 2.767 20 0 GFADRO COCCNS(=O)(=O)c1cccc(C[NH2+]CCc2ccc(Cl)cc2)c1 ZINC000459449772 564744823 /nfs/dbraw/zinc/74/48/23/564744823.db2.gz UYVMZEMXZSGMFE-UHFFFAOYSA-N 1 0 382.913 2.597 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]1C1CCN(C(=O)NCCc2ccccc2Br)CC1 ZINC000579211114 564745183 /nfs/dbraw/zinc/74/51/83/564745183.db2.gz LCMGCLQLXYHGMD-SJORKVTESA-N 1 0 396.329 2.529 20 0 GFADRO CC(C)[NH2+]CCCNC(=O)N1CCO[C@@H](c2cccc(Br)c2)C1 ZINC000579333509 564747431 /nfs/dbraw/zinc/74/74/31/564747431.db2.gz NUMKYHIQRAXNID-MRXNPFEDSA-N 1 0 384.318 2.920 20 0 GFADRO COC(=O)c1cc(Br)cc(C(=O)N2[C@@H]3CC[C@H]2CC[N@@H+](C)C3)c1 ZINC000579609607 564749205 /nfs/dbraw/zinc/74/92/05/564749205.db2.gz DARXONQYGAHBGM-LSDHHAIUSA-N 1 0 381.270 2.544 20 0 GFADRO CN(C)S(=O)(=O)[C@@H]1CN(CCc2cccc(Cl)c2)C[C@H]1C(F)(F)F ZINC000459536243 564749186 /nfs/dbraw/zinc/74/91/86/564749186.db2.gz KUYPXLFFGYNHOX-ZIAGYGMSSA-N 1 0 384.851 2.637 20 0 GFADRO CON1CCC([N@H+](C)CC(=O)N[C@H](C)c2ccc(Br)cc2)CC1 ZINC000459574649 564751437 /nfs/dbraw/zinc/75/14/37/564751437.db2.gz DNFHUEQUJUQFOK-CYBMUJFWSA-N 1 0 384.318 2.584 20 0 GFADRO CC(C)[NH2+]CCCNC(=O)C(=O)N(Cc1ccc(Br)cc1)C(C)C ZINC000579814701 564752246 /nfs/dbraw/zinc/75/22/46/564752246.db2.gz HDQPCPVUNXCIFH-UHFFFAOYSA-N 1 0 398.345 2.690 20 0 GFADRO CN(C)CC[N@H+](C)CCCN(C)C(=O)Nc1nc(CC(F)(F)F)cs1 ZINC000459604809 564752550 /nfs/dbraw/zinc/75/25/50/564752550.db2.gz LGALDWSYXOPTRZ-UHFFFAOYSA-N 1 0 381.468 2.595 20 0 GFADRO CSCC[C@H]([NH2+][C@H](C)c1ccc(-n2cncn2)cc1Cl)C(=O)N(C)C ZINC000489795293 564752607 /nfs/dbraw/zinc/75/26/07/564752607.db2.gz IZCPCFFOUOUPDZ-WBMJQRKESA-N 1 0 381.933 2.781 20 0 GFADRO Cc1nc2n(n1)C[C@@H]([NH2+]Cc1c[nH]nc1-c1ccc(Br)s1)CC2 ZINC000527650675 564752782 /nfs/dbraw/zinc/75/27/82/564752782.db2.gz AEPHTCRCLTYSQE-NSHDSACASA-N 1 0 393.314 2.905 20 0 GFADRO CS(=O)(=O)N[C@@H]1CCC[C@@H]1C[NH2+]Cc1ccc(Br)c(F)c1F ZINC000527672307 564754324 /nfs/dbraw/zinc/75/43/24/564754324.db2.gz HKVLYPFCYIVACQ-BXKDBHETSA-N 1 0 397.285 2.535 20 0 GFADRO CO[C@H](C[NH2+]C[C@H](O)COc1cc(F)cc(Br)c1)CC(C)C ZINC000580305813 564755180 /nfs/dbraw/zinc/75/51/80/564755180.db2.gz VYTALUAWPPPVGS-HOCLYGCPSA-N 1 0 378.282 2.979 20 0 GFADRO COCCO[C@@H]1COCC[C@H]1[NH2+]Cc1ccc(Br)c(F)c1F ZINC000527695608 564756138 /nfs/dbraw/zinc/75/61/38/564756138.db2.gz OQHUGYMHAXDSQV-CHWSQXEVSA-N 1 0 380.229 2.637 20 0 GFADRO Cc1cc(N2CCC[C@H]([NH2+]Cc3ncc(Br)cc3F)C2)n(C)n1 ZINC000527698761 564756604 /nfs/dbraw/zinc/75/66/04/564756604.db2.gz CHGZBPSKUXSFRB-ZDUSSCGKSA-N 1 0 382.281 2.784 20 0 GFADRO C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]C[C@H](CO)Cc1cc(F)cc(Br)c1 ZINC000459685659 564756828 /nfs/dbraw/zinc/75/68/28/564756828.db2.gz AZJFEZQEMRGWAQ-DFHBCGBQSA-N 1 0 385.321 2.812 20 0 GFADRO C[NH2+]Cc1cccc(NC(=O)N[C@H]2C[C@H](C)S(=O)(=O)c3sccc32)c1 ZINC000580410478 564757259 /nfs/dbraw/zinc/75/72/59/564757259.db2.gz NQPHLDIKJXQQEL-NHYWBVRUSA-N 1 0 379.507 2.896 20 0 GFADRO Cc1cccc(CC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)c1Br ZINC000527717473 564757515 /nfs/dbraw/zinc/75/75/15/564757515.db2.gz ATWWJQDVWXWVNM-MRXNPFEDSA-N 1 0 383.330 2.773 20 0 GFADRO C[C@@H]1C[C@H]([NH2+]C[C@H](CO)Cc2cc(F)cc(Br)c2)CN1C1CC1 ZINC000459710922 564757591 /nfs/dbraw/zinc/75/75/91/564757591.db2.gz UYKCNYOIWKDQKX-MRRJBJDNSA-N 1 0 385.321 2.954 20 0 GFADRO CC1([NH+]2CCOCC2)CCN(C(=O)NCc2ccccc2Br)CC1 ZINC000527706395 564757683 /nfs/dbraw/zinc/75/76/83/564757683.db2.gz UGGTWQPHFWUUOW-UHFFFAOYSA-N 1 0 396.329 2.845 20 0 GFADRO c1cc(-c2ncc(C[NH2+]CC3(N4CCOCC4)CCOCC3)s2)cs1 ZINC000459724520 564758385 /nfs/dbraw/zinc/75/83/85/564758385.db2.gz YXFHNCPGIHJHBI-UHFFFAOYSA-N 1 0 379.551 2.843 20 0 GFADRO Cc1csc(-c2cccc(S(=O)(=O)N3CCC[C@]4(CC[NH2+]C4)C3)c2)n1 ZINC000489976552 564758425 /nfs/dbraw/zinc/75/84/25/564758425.db2.gz HWGZSEIODRTLMU-GOSISDBHSA-N 1 0 377.535 2.883 20 0 GFADRO CCOc1cc(C[NH2+]C2(CO)CCSCC2)cc(Br)c1O ZINC000459724101 564758967 /nfs/dbraw/zinc/75/89/67/564758967.db2.gz JSLPEFLCQDBPKN-UHFFFAOYSA-N 1 0 376.316 2.901 20 0 GFADRO CO[C@@H]1COC[C@@H]1[NH2+]CCOc1c(Br)cccc1Br ZINC000459785945 564760920 /nfs/dbraw/zinc/76/09/20/564760920.db2.gz ATIAXPSKQZTTQK-NWDGAFQWSA-N 1 0 395.091 2.594 20 0 GFADRO Cc1csc(C(=O)N(C)CC[N@H+](C)C2CCN(C)CC2)c1Br ZINC000490043692 564761406 /nfs/dbraw/zinc/76/14/06/564761406.db2.gz PVLHFOYSSANODI-UHFFFAOYSA-N 1 0 388.375 2.917 20 0 GFADRO Cc1sc(Br)cc1S(=O)(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000490065556 564762059 /nfs/dbraw/zinc/76/20/59/564762059.db2.gz GQKVREMBWLYOSS-CYBMUJFWSA-N 1 0 379.345 2.583 20 0 GFADRO O=C(N[C@H]1C[NH2+]CCC1(F)F)N1CCO[C@H](c2ccc(F)cc2Cl)C1 ZINC000580540813 564762845 /nfs/dbraw/zinc/76/28/45/564762845.db2.gz SEAHDVGEODGCNT-KBPBESRZSA-N 1 0 377.794 2.559 20 0 GFADRO O=S(=O)(c1ccc(C(F)(F)F)cc1F)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000580563929 564765168 /nfs/dbraw/zinc/76/51/68/564765168.db2.gz HOAYOHVXGFEYLB-AWEZNQCLSA-N 1 0 380.407 2.997 20 0 GFADRO C[C@@H]([NH2+]C[C@]1(CO)COCC2(CCC2)N1C)c1ccccc1Br ZINC000527953717 564765451 /nfs/dbraw/zinc/76/54/51/564765451.db2.gz XZPFBFIFEMRLNM-KDOFPFPSSA-N 1 0 383.330 2.716 20 0 GFADRO C[NH+](C)CCNC(=O)NCCOc1ccc(Br)cc1C(F)(F)F ZINC000490253996 564767142 /nfs/dbraw/zinc/76/71/42/564767142.db2.gz UYXMXQMLLOKJGA-UHFFFAOYSA-N 1 0 398.223 2.708 20 0 GFADRO Cc1ncccc1C[NH2+][C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000527986708 564767483 /nfs/dbraw/zinc/76/74/83/564767483.db2.gz LMDMMUYRYIQRHD-JTQLQIEISA-N 1 0 384.299 2.651 20 0 GFADRO COc1ccc(CNC(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1Br ZINC000580631791 564767503 /nfs/dbraw/zinc/76/75/03/564767503.db2.gz KTAKJLHOAFKPFP-BFHYXJOUSA-N 1 0 382.302 2.645 20 0 GFADRO O=S(=O)(N[C@H]1CC[NH2+]C12CCC2)c1ccc(Cl)cc1Br ZINC000528050988 564768030 /nfs/dbraw/zinc/76/80/30/564768030.db2.gz HRIYZBGZISPOKZ-LBPRGKRZSA-N 1 0 379.707 2.665 20 0 GFADRO O=S(=O)(NC[C@H]1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1)C1CC1 ZINC000580673838 564768304 /nfs/dbraw/zinc/76/83/04/564768304.db2.gz FNUJTYPFAAEHOA-CQSZACIVSA-N 1 0 376.444 2.999 20 0 GFADRO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000460029018 564768860 /nfs/dbraw/zinc/76/88/60/564768860.db2.gz JIUWRMJXGALTBR-UHFFFAOYSA-N 1 0 386.323 2.895 20 0 GFADRO O=S(=O)(NCC[NH2+][C@@H]1CC[C@H](c2ccc(Cl)cc2)C1)c1cccnc1 ZINC000580695003 564769478 /nfs/dbraw/zinc/76/94/78/564769478.db2.gz GCPNFBYEXAHIRW-DOTOQJQBSA-N 1 0 379.913 2.939 20 0 GFADRO C[C@@H](NC1CC[NH+](Cc2ccncc2)CC1)c1ncc(Br)cn1 ZINC000580729375 564771008 /nfs/dbraw/zinc/77/10/08/564771008.db2.gz ZJDUHXGZCVOSQJ-CYBMUJFWSA-N 1 0 376.302 2.949 20 0 GFADRO COc1ccc(NC(=O)CN2C[C@@H]([NH+]3CCCC3)[C@@H](SC)C2)cc1Cl ZINC000460365936 564775251 /nfs/dbraw/zinc/77/52/51/564775251.db2.gz WUJHJCJONHBILH-WBVHZDCISA-N 1 0 383.945 2.799 20 0 GFADRO CN(C)S(=O)(=O)[C@@H]1C[N@H+](C[C@H]2C[C@H]2c2ccccc2)C[C@H]1C(F)(F)F ZINC000554878344 564775409 /nfs/dbraw/zinc/77/54/09/564775409.db2.gz LZUGMIZLGIZICO-QKPAOTATSA-N 1 0 376.444 2.544 20 0 GFADRO C[N@@H+]1CC[C@]2(CCN(S(=O)(=O)c3cc(Br)ccc3Cl)C2)C1 ZINC000490533619 564775712 /nfs/dbraw/zinc/77/57/12/564775712.db2.gz GBBZXFOMWDLQPV-AWEZNQCLSA-N 1 0 393.734 2.819 20 0 GFADRO Cc1cc(C[NH+]2CCC([C@H]3OCC[C@@H]3C(N)=O)CC2)sc1Br ZINC000490582496 564777207 /nfs/dbraw/zinc/77/72/07/564777207.db2.gz FTGZIQJGJSIBFN-UONOGXRCSA-N 1 0 387.343 2.921 20 0 GFADRO CN(C(=O)[C@@H]1C[C@]1(C)Br)C1CC[NH+](CCc2ccccn2)CC1 ZINC000528328435 564778018 /nfs/dbraw/zinc/77/80/18/564778018.db2.gz SFLHOKBHXIZVHB-WMZOPIPTSA-N 1 0 380.330 2.720 20 0 GFADRO Cc1nc(N2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)sc1S(N)(=O)=O ZINC000554930340 564778233 /nfs/dbraw/zinc/77/82/33/564778233.db2.gz LIJHWQAZOVOCCI-ZDUSSCGKSA-N 1 0 386.587 2.580 20 0 GFADRO O=C(NCCc1c[nH]c2ccc(Br)cc12)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000580882578 564778689 /nfs/dbraw/zinc/77/86/89/564778689.db2.gz CLLFEEUANWOVNB-JSGCOSHPSA-N 1 0 391.313 2.724 20 0 GFADRO COc1cc(Br)ccc1CCC(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000580959229 564781092 /nfs/dbraw/zinc/78/10/92/564781092.db2.gz SFAVROHNEVEIKJ-GOSISDBHSA-N 1 0 381.314 2.945 20 0 GFADRO [NH3+]C1CCC(OCC(=O)NCC2(c3ccccc3Br)CC2)CC1 ZINC000580950149 564781627 /nfs/dbraw/zinc/78/16/27/564781627.db2.gz FXADBPGILQCBOR-UHFFFAOYSA-N 1 0 381.314 2.883 20 0 GFADRO Fc1c(Br)ccc(CN2CC[NH+](C[C@H]3CCOC3)CC2)c1F ZINC000528400315 564781981 /nfs/dbraw/zinc/78/19/81/564781981.db2.gz WFCGYHICAOIVFA-GFCCVEGCSA-N 1 0 375.257 2.881 20 0 GFADRO C[N@@H+]1CCC[C@@H](N2CCN(Cc3ccc(Br)c(F)c3F)CC2)C1 ZINC000528418347 564784350 /nfs/dbraw/zinc/78/43/50/564784350.db2.gz UZONPLXCVCAGCI-CQSZACIVSA-N 1 0 388.300 2.939 20 0 GFADRO CCc1ncc(S(=O)(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2F)s1 ZINC000460945941 564785362 /nfs/dbraw/zinc/78/53/62/564785362.db2.gz AJWNJXHCUYKGHG-UHFFFAOYSA-N 1 0 389.493 2.736 20 0 GFADRO C[C@H](NC(=O)c1cccs1)C(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000555230239 564787335 /nfs/dbraw/zinc/78/73/35/564787335.db2.gz XOCCSIQHFUAGCH-SWLSCSKDSA-N 1 0 379.913 2.939 20 0 GFADRO O=S(=O)(NC[C@@H]1CC[N@@H+]1C1CCCCC1)c1cccnc1C(F)(F)F ZINC000528472573 564787962 /nfs/dbraw/zinc/78/79/62/564787962.db2.gz FIZJEMNUGXHVFK-ZDUSSCGKSA-N 1 0 377.432 2.786 20 0 GFADRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)c2ccc(Br)c(O)c2)C1 ZINC000491207227 564788814 /nfs/dbraw/zinc/78/88/14/564788814.db2.gz JJFKBJQUTYOSNR-AWEZNQCLSA-N 1 0 385.302 2.728 20 0 GFADRO CCC[N@H+](CC)CCNC(=O)C1(c2cccc(Br)c2)CC(=O)C1 ZINC000581163491 564790712 /nfs/dbraw/zinc/79/07/12/564790712.db2.gz RXSUBPNLXADREN-UHFFFAOYSA-N 1 0 381.314 2.898 20 0 GFADRO CC(=O)Nc1ccc(S(=O)(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)cc1Cl ZINC000528547559 564793054 /nfs/dbraw/zinc/79/30/54/564793054.db2.gz HGFISYABLFZCJE-CQSZACIVSA-N 1 0 385.917 2.594 20 0 GFADRO O=S(=O)(NC[C@H]1CC[N@@H+]1C1CCCC1)c1cc(F)ccc1Br ZINC000528548681 564793283 /nfs/dbraw/zinc/79/32/83/564793283.db2.gz JHBQVNCUZUXKNG-CYBMUJFWSA-N 1 0 391.306 2.883 20 0 GFADRO C[C@H]([NH2+]Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CC(F)(F)F)CC1 ZINC000555474423 564795258 /nfs/dbraw/zinc/79/52/58/564795258.db2.gz TUQZBGCGZAVJHI-ZDUSSCGKSA-N 1 0 378.460 2.843 20 0 GFADRO C[N@@H+]1C[C@H](NC(=O)Cc2ccc(Br)cc2O)[C@@H](c2ccccc2)C1 ZINC000491683932 564795627 /nfs/dbraw/zinc/79/56/27/564795627.db2.gz DCFDIGIVBPHQRK-SJORKVTESA-N 1 0 389.293 2.911 20 0 GFADRO O=C(NCCC[NH+]1CCC(O)CC1)[C@@H]1C[C@H]1c1csc(Br)c1 ZINC000528606091 564796795 /nfs/dbraw/zinc/79/67/95/564796795.db2.gz OPFZOFJERXRPPB-UONOGXRCSA-N 1 0 387.343 2.577 20 0 GFADRO CCC[N@H+](C)CC(=O)N1CCN([C@@H](C)c2ccc(Br)cc2)CC1 ZINC000461429011 564796962 /nfs/dbraw/zinc/79/69/62/564796962.db2.gz RIECBLITICRGQN-HNNXBMFYSA-N 1 0 382.346 2.996 20 0 GFADRO CCCC[N@H+](C)C[C@H](C)NC(=O)C(=O)Nc1c(F)cccc1Br ZINC000581334597 564798213 /nfs/dbraw/zinc/79/82/13/564798213.db2.gz CCLOQCRXYCJZDN-NSHDSACASA-N 1 0 388.281 2.763 20 0 GFADRO CC[C@H](C(=O)N(C)[C@@H](C(N)=O)c1cccc(Br)c1)[NH+](CC)CC ZINC000461491630 564798616 /nfs/dbraw/zinc/79/86/16/564798616.db2.gz WKNAJIODUUHELH-HUUCEWRRSA-N 1 0 384.318 2.554 20 0 GFADRO O=C(C[N@H+]1CC2(CCOCC2)CC[C@H]1CO)Nc1ccc(Br)cc1 ZINC000528640112 564798731 /nfs/dbraw/zinc/79/87/31/564798731.db2.gz NNDTZIQXDQHPJG-INIZCTEOSA-N 1 0 397.313 2.641 20 0 GFADRO C[NH+](C)CCOCCNC(=O)Nc1cc(F)c(Br)c(Cl)c1 ZINC000492163669 564799561 /nfs/dbraw/zinc/79/95/61/564799561.db2.gz XRFYVBLEAQFISA-UHFFFAOYSA-N 1 0 382.661 2.941 20 0 GFADRO Cc1ncc(Br)cc1NC(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000528693755 564800816 /nfs/dbraw/zinc/80/08/16/564800816.db2.gz KCVMOAMSOWCJKX-HNNXBMFYSA-N 1 0 397.317 2.775 20 0 GFADRO O=C(Nc1ccc(I)cc1F)N[C@@H]1CC[NH2+]C12CCC2 ZINC000528696799 564801844 /nfs/dbraw/zinc/80/18/44/564801844.db2.gz KTUGALKWCIHICA-GFCCVEGCSA-N 1 0 389.212 2.836 20 0 GFADRO CC(=O)c1cc(Br)ccc1OCC(=O)NCC1([NH+](C)C)CCC1 ZINC000581445024 564802844 /nfs/dbraw/zinc/80/28/44/564802844.db2.gz FZXAFLKMBFGGHS-UHFFFAOYSA-N 1 0 383.286 2.631 20 0 GFADRO C[C@@H](NC(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C)c1ncc(Br)cn1 ZINC000555740819 564803515 /nfs/dbraw/zinc/80/35/15/564803515.db2.gz DKNVYJIGYXUANO-YPMHNXCESA-N 1 0 384.322 2.720 20 0 GFADRO O=C(c1ccc(Br)c(F)c1F)N1CC[NH+](C2CCOCC2)CC1 ZINC000528757075 564803593 /nfs/dbraw/zinc/80/35/93/564803593.db2.gz CZHVYLCJHCMFNE-UHFFFAOYSA-N 1 0 389.240 2.664 20 0 GFADRO CCCC[N@H+](C)C[C@H](C)NC(=O)C(=O)Nc1ccc(Br)c(F)c1 ZINC000581453737 564803713 /nfs/dbraw/zinc/80/37/13/564803713.db2.gz YAUDAOGHBAVGGQ-NSHDSACASA-N 1 0 388.281 2.763 20 0 GFADRO C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1)N1CC[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000528775750 564804386 /nfs/dbraw/zinc/80/43/86/564804386.db2.gz HZCASCYHNCVDOS-IXKJSCDLSA-N 1 0 384.929 2.557 20 0 GFADRO C[C@@H]1C[NH+](CCC2CCN(C(=O)[C@@H]3C[C@]3(C)Br)CC2)C[C@@H](C)O1 ZINC000528800546 564806244 /nfs/dbraw/zinc/80/62/44/564806244.db2.gz SVTSLTDJZVRBQK-DEICHXMPSA-N 1 0 387.362 2.898 20 0 GFADRO COc1cc(Cl)c(S(=O)(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)cc1Cl ZINC000461900456 564807465 /nfs/dbraw/zinc/80/74/65/564807465.db2.gz MBWOLEVGCUFPDD-GXFFZTMASA-N 1 0 379.309 2.668 20 0 GFADRO Cc1cc(S(=O)(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)c(C)cc1Br ZINC000461894894 564807633 /nfs/dbraw/zinc/80/76/33/564807633.db2.gz QJGJOFGXOZOWTP-DZGCQCFKSA-N 1 0 387.343 2.732 20 0 GFADRO CN([C@@H](C[NH3+])C1CC1)S(=O)(=O)c1ccc2cc(Br)ccc2c1 ZINC000461900141 564807710 /nfs/dbraw/zinc/80/77/10/564807710.db2.gz KRCKSFRKTKJOTH-INIZCTEOSA-N 1 0 383.311 2.960 20 0 GFADRO CC1([NH+]2CCOCC2)CCN(C(=O)Nc2nc(C(F)(F)F)cs2)CC1 ZINC000528876563 564808084 /nfs/dbraw/zinc/80/80/84/564808084.db2.gz QGDOVMPNVRXJAG-UHFFFAOYSA-N 1 0 378.420 2.881 20 0 GFADRO Ic1cnn(C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)c1 ZINC000581562895 564808337 /nfs/dbraw/zinc/80/83/37/564808337.db2.gz KMCMFTBMBNXTJD-INIZCTEOSA-N 1 0 397.260 2.779 20 0 GFADRO COCCN1CCC([NH2+][C@H]2CCN(c3ccc(Br)cc3)C2)CC1 ZINC000462039946 564812763 /nfs/dbraw/zinc/81/27/63/564812763.db2.gz KQBVMJZYJTYLFU-KRWDZBQOSA-N 1 0 382.346 2.728 20 0 GFADRO O=C(NCC[C@H]1CC[NH2+]C1)Nc1ccnn1Cc1cccc(Br)c1 ZINC000581655302 564812838 /nfs/dbraw/zinc/81/28/38/564812838.db2.gz MHMMXFIMHNMJPQ-CYBMUJFWSA-N 1 0 392.301 2.815 20 0 GFADRO CC[N@H+](CC(=O)N1CCN(Cc2ccc(Br)cc2)CC1)C1CC1 ZINC000493966789 564815233 /nfs/dbraw/zinc/81/52/33/564815233.db2.gz LWJYHJMYEGAOBJ-UHFFFAOYSA-N 1 0 380.330 2.578 20 0 GFADRO CC[NH+](CC)C[C@@H](C)NS(=O)(=O)CCc1ccccc1Br ZINC000462069125 564815385 /nfs/dbraw/zinc/81/53/85/564815385.db2.gz XSCUGRTYBGLXGQ-CYBMUJFWSA-N 1 0 377.348 2.641 20 0 GFADRO CC[N@@H+]1CCCC[C@@H]1CNS(=O)(=O)CCc1ccccc1Br ZINC000462088354 564817517 /nfs/dbraw/zinc/81/75/17/564817517.db2.gz HVENVXKSWNFQHJ-OAHLLOKOSA-N 1 0 389.359 2.785 20 0 GFADRO CN(C[C@@H]1CCC[N@H+](C)C1)S(=O)(=O)CCc1ccccc1Br ZINC000462089530 564817734 /nfs/dbraw/zinc/81/77/34/564817734.db2.gz ARZHTSSMJZCFCD-CQSZACIVSA-N 1 0 389.359 2.595 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2S(=O)(=O)c1ccc(C(F)(F)F)s1 ZINC000462098608 564818672 /nfs/dbraw/zinc/81/86/72/564818672.db2.gz DEAWYNSSYPBYQO-WOPDTQHZSA-N 1 0 398.472 2.639 20 0 GFADRO CC[NH+](CC)[C@@H](C)CNS(=O)(=O)CCc1ccccc1Br ZINC000462103039 564819320 /nfs/dbraw/zinc/81/93/20/564819320.db2.gz DNRKQDRACCLHRB-ZDUSSCGKSA-N 1 0 377.348 2.641 20 0 GFADRO C[C@H]1CCN(C(=O)c2ccc(-n3cc(Br)cn3)cc2)[C@@H](C)[C@H]1[NH3+] ZINC000581868996 564820949 /nfs/dbraw/zinc/82/09/49/564820949.db2.gz OBFSCNMWUCHLEL-MKBNYLNASA-N 1 0 377.286 2.833 20 0 GFADRO Cc1cc(Br)c(S(=O)(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)s1 ZINC000462134681 564823252 /nfs/dbraw/zinc/82/32/52/564823252.db2.gz DSBDMTHFPBKORC-LLVKDONJSA-N 1 0 381.361 2.781 20 0 GFADRO CC(C)OC[C@@H](C)[NH2+]CC(=O)Nc1ccc(I)cc1 ZINC000556412614 564824457 /nfs/dbraw/zinc/82/44/57/564824457.db2.gz QFUUWZPNKLOMKL-LLVKDONJSA-N 1 0 376.238 2.633 20 0 GFADRO CC[NH2+]CCCNC(=O)N1CCO[C@@H](c2ccc(F)c(Br)c2)C1 ZINC000581992981 564825746 /nfs/dbraw/zinc/82/57/46/564825746.db2.gz QYJJOBUDCIIILC-OAHLLOKOSA-N 1 0 388.281 2.671 20 0 GFADRO CC(C)[N@H+]1C[C@H](NC(=O)NCc2cc(Br)cc3c2OCC3)[C@@H](C)C1 ZINC000462199030 564826867 /nfs/dbraw/zinc/82/68/67/564826867.db2.gz KQPSCKKXRGCBPJ-LRDDRELGSA-N 1 0 396.329 2.912 20 0 GFADRO CC1(C)Cc2c(cccc2Br)[C@H]1NC(=O)NC1(C[NH3+])CCOCC1 ZINC000529327358 564828939 /nfs/dbraw/zinc/82/89/39/564828939.db2.gz QTGSLHFFOKPOGL-OAHLLOKOSA-N 1 0 396.329 2.880 20 0 GFADRO C[NH+]1CCC(Oc2ccc(CNC(=O)[C@H]3C[C@]3(C)Br)cc2)CC1 ZINC000529313431 564829663 /nfs/dbraw/zinc/82/96/63/564829663.db2.gz OYROJNZEMZQHFL-AEFFLSMTSA-N 1 0 381.314 2.949 20 0 GFADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)NCC[N@H+]2[C@H](C)CCC[C@@H]2C)c1 ZINC000462281176 564830930 /nfs/dbraw/zinc/83/09/30/564830930.db2.gz QCPVSWDKFYHHBU-BETUJISGSA-N 1 0 388.917 2.668 20 0 GFADRO O=C(N[C@H]1CC[NH2+]C12CCC2)N1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000529367679 564830977 /nfs/dbraw/zinc/83/09/77/564830977.db2.gz TVLGBDRQLBNRJI-CVEARBPZSA-N 1 0 394.313 2.817 20 0 GFADRO C[C@H]1CCN(C(=O)NCc2cc(F)c(Br)cc2F)C[C@H]1C[NH3+] ZINC000529371402 564832004 /nfs/dbraw/zinc/83/20/04/564832004.db2.gz XCNNZBKHARNUKU-GXSJLCMTSA-N 1 0 376.245 2.854 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)NCc2ccc(Br)c(F)c2F)C1 ZINC000529369886 564832215 /nfs/dbraw/zinc/83/22/15/564832215.db2.gz KWCPEEWEUCWPNN-GXSJLCMTSA-N 1 0 376.245 2.996 20 0 GFADRO O=C(NC[C@H]1COCC[NH2+]1)NC1(c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000529375449 564832344 /nfs/dbraw/zinc/83/23/44/564832344.db2.gz HJVRQLINGMIIFF-NSHDSACASA-N 1 0 377.794 2.636 20 0 GFADRO C[C@@H](NC(=O)CC[C@@H]1CCC[NH2+]1)c1cc2c(cc1Br)OCCO2 ZINC000494527093 564832608 /nfs/dbraw/zinc/83/26/08/564832608.db2.gz JHAVQSLGZSRWMQ-NEPJUHHUSA-N 1 0 383.286 2.930 20 0 GFADRO Cc1ccc(S(=O)(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1Br ZINC000462323029 564833543 /nfs/dbraw/zinc/83/35/43/564833543.db2.gz BNSCXEMYCXFSBT-QWHCGFSZSA-N 1 0 375.332 2.861 20 0 GFADRO CC(=O)N[C@H](CC(=O)N[C@H](C)CCCC[NH3+])c1ccc(Br)cc1 ZINC000494668943 564835856 /nfs/dbraw/zinc/83/58/56/564835856.db2.gz AGZXTQPNHAIGAW-MLGOLLRUSA-N 1 0 384.318 2.650 20 0 GFADRO O=C(NCCN1C[C@H]2CC[C@@H](C1)O2)[C@@H]1C[C@H]1c1csc(Br)c1 ZINC000529453383 564836193 /nfs/dbraw/zinc/83/61/93/564836193.db2.gz BXQWIOGCXAGMPY-RFQIPJPRSA-N 1 0 385.327 2.594 20 0 GFADRO Cc1ccc(S(=O)(=O)NCC[N@H+]2CCCC[C@@H]2C)cc1Br ZINC000462423201 564838584 /nfs/dbraw/zinc/83/85/84/564838584.db2.gz SNMNCAIDBZAHEI-ZDUSSCGKSA-N 1 0 375.332 2.910 20 0 GFADRO Cc1ccc(S(=O)(=O)NCC[N@H+]2CCCC[C@H]2C)cc1Br ZINC000462423200 564838705 /nfs/dbraw/zinc/83/87/05/564838705.db2.gz SNMNCAIDBZAHEI-CYBMUJFWSA-N 1 0 375.332 2.910 20 0 GFADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@H](C)c1ncc(Br)cn1 ZINC000582286251 564838870 /nfs/dbraw/zinc/83/88/70/564838870.db2.gz FLIAMDIJSDHKED-BNOWGMLFSA-N 1 0 382.306 2.568 20 0 GFADRO Cc1cc(Br)c(S(=O)(=O)NCC[NH+]2CCCCCC2)s1 ZINC000462428325 564839188 /nfs/dbraw/zinc/83/91/88/564839188.db2.gz LTQMLSAGRDJRTK-UHFFFAOYSA-N 1 0 381.361 2.973 20 0 GFADRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(Cc2ncc(Br)cc2F)CC1 ZINC000529525896 564839412 /nfs/dbraw/zinc/83/94/12/564839412.db2.gz NPEXARMOGMOUFA-GASCZTMLSA-N 1 0 399.352 2.974 20 0 GFADRO CC[C@@H]1CN(Cc2ncc(Cl)cc2Br)CC[N@@H+]1C[C@H](C)O ZINC000529528039 564839458 /nfs/dbraw/zinc/83/94/58/564839458.db2.gz FOGQYTRBFOHWQQ-WCQYABFASA-N 1 0 376.726 2.775 20 0 GFADRO [NH3+][C@@H]1CCC[C@H](C(=O)NCc2nc(-c3cccc(Br)c3)no2)C1 ZINC000582355141 564842845 /nfs/dbraw/zinc/84/28/45/564842845.db2.gz WLFDCFSLDUKUDC-WCQYABFASA-N 1 0 379.258 2.633 20 0 GFADRO C[N@H+](CCOc1ccc(S(N)(=O)=O)cc1)Cc1ccsc1C(F)(F)F ZINC000529593418 564844252 /nfs/dbraw/zinc/84/42/52/564844252.db2.gz YAAYLPIIBLSRLU-UHFFFAOYSA-N 1 0 394.440 2.925 20 0 GFADRO CC[N@H+](Cc1cc(I)c(OC)c(OC)c1)[C@@H]1CCOC1 ZINC000463034692 564867713 /nfs/dbraw/zinc/86/77/13/564867713.db2.gz NCDXKDZJKRJGID-GFCCVEGCSA-N 1 0 391.249 2.919 20 0 GFADRO Cc1ccsc1S(=O)(=O)NCc1cccc(CN2CCO[C@@H](C)C2)c1 ZINC000462553194 564847543 /nfs/dbraw/zinc/84/75/43/564847543.db2.gz SBMRSQZBONQJRT-HNNXBMFYSA-N 1 0 380.535 2.756 20 0 GFADRO C[C@@H](O)C[N@H+](C)C1CCN(C(=O)[C@H](C)c2cccc(Br)c2)CC1 ZINC000462557099 564848603 /nfs/dbraw/zinc/84/86/03/564848603.db2.gz XOJXFFGALUOVSQ-ZIAGYGMSSA-N 1 0 383.330 2.856 20 0 GFADRO O=C(NCC1CC[NH2+]CC1)Nc1cccc(F)c1I ZINC000556989715 564850183 /nfs/dbraw/zinc/85/01/83/564850183.db2.gz FFRYBJKXDGOQTR-UHFFFAOYSA-N 1 0 377.201 2.551 20 0 GFADRO CN1CCN(C(=O)C[NH2+][C@@H](CC2CC2)c2cc(F)cc(Br)c2)CC1 ZINC000495254888 564852862 /nfs/dbraw/zinc/85/28/62/564852862.db2.gz PTKHWRFCYBGSIK-KRWDZBQOSA-N 1 0 398.320 2.793 20 0 GFADRO O=C(c1cc(I)ccc1Cl)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000462646321 564853084 /nfs/dbraw/zinc/85/30/84/564853084.db2.gz VGZLPWXFVLTPLQ-AWEZNQCLSA-N 1 0 390.652 2.770 20 0 GFADRO CS[C@H]1CN(C(=O)c2csc(Cc3ccc(F)cc3)n2)C[C@H]1[NH+](C)C ZINC000495684168 564855540 /nfs/dbraw/zinc/85/55/40/564855540.db2.gz ZBLCUYUGBSNHEG-CVEARBPZSA-N 1 0 379.526 2.991 20 0 GFADRO CN(CC(=O)N1CC[NH2+]CC1)C(=O)c1ccc(-c2ccc(Cl)cc2)s1 ZINC000495638324 564855850 /nfs/dbraw/zinc/85/58/50/564855850.db2.gz KRPRGNRZPQDRJY-UHFFFAOYSA-N 1 0 377.897 2.572 20 0 GFADRO CS[C@H]1CN(C(=O)c2cc(NC(=O)N(C)C)ccc2Cl)C[C@H]1[NH+](C)C ZINC000495712589 564857160 /nfs/dbraw/zinc/85/71/60/564857160.db2.gz MEGMLXLSAYBSRK-CABCVRRESA-N 1 0 384.933 2.551 20 0 GFADRO O=C(NCc1cc(Br)ccc1OC(F)F)NCC1CC[NH2+]CC1 ZINC000582714786 564857967 /nfs/dbraw/zinc/85/79/67/564857967.db2.gz IPLSIWXEBAGEBW-UHFFFAOYSA-N 1 0 392.244 2.849 20 0 GFADRO CC[C@@H]1CN(Cc2cc(Br)cc3c2OCC3)CC[N@@H+]1C[C@H](C)O ZINC000462793277 564858733 /nfs/dbraw/zinc/85/87/33/564858733.db2.gz YPTQXZBPZWLMFK-SUMWQHHRSA-N 1 0 383.330 2.661 20 0 GFADRO CC(C)Cc1ncnc(NCCC[NH+]2CCCC2)c1I ZINC000582742638 564859718 /nfs/dbraw/zinc/85/97/18/564859718.db2.gz KBWWCVSBIIZABZ-UHFFFAOYSA-N 1 0 388.297 3.178 20 0 GFADRO C[NH+](C)C[C@H](NC(=O)[C@@H]1CCCc2nn[nH]c21)c1ccc(Cl)c(Cl)c1 ZINC000530034729 564860282 /nfs/dbraw/zinc/86/02/82/564860282.db2.gz XHYWIJXIPRWLFU-ABAIWWIYSA-N 1 0 382.295 2.951 20 0 GFADRO C[C@@H](Cn1cc(Br)cn1)[NH2+][C@H]1CC(=O)N(c2ccccc2F)C1 ZINC000462945449 564863905 /nfs/dbraw/zinc/86/39/05/564863905.db2.gz MNBMENSQMQHMLM-AAEUAGOBSA-N 1 0 381.249 2.568 20 0 GFADRO C[C@@H](CNC(=O)c1ccc2cc(I)ccc2n1)C[NH+](C)C ZINC000557467546 564864331 /nfs/dbraw/zinc/86/43/31/564864331.db2.gz PYZKUYCMOCKRRV-NSHDSACASA-N 1 0 397.260 2.767 20 0 GFADRO O[C@H](C[NH2+]CC1(c2ccc(Br)cc2)CCCC1)CN1CCOCC1 ZINC000582840835 564864416 /nfs/dbraw/zinc/86/44/16/564864416.db2.gz NDNFJRNCPLLHCU-GOSISDBHSA-N 1 0 397.357 2.544 20 0 GFADRO C[C@@H](NS(=O)(=O)c1ccc(Br)c(Cl)c1)[C@@H]1CCC[NH2+]C1 ZINC000497355576 564865409 /nfs/dbraw/zinc/86/54/09/564865409.db2.gz YVOFHZBXJFTNAZ-NXEZZACHSA-N 1 0 381.723 2.769 20 0 GFADRO COc1ccc(C(=O)N2CCC([N@@H+]3CCO[C@@H](C)C3)CC2)cc1Br ZINC000497379078 564866501 /nfs/dbraw/zinc/86/65/01/564866501.db2.gz UGUYMUXSQNPUKO-ZDUSSCGKSA-N 1 0 397.313 2.783 20 0 GFADRO Cn1cc(C[NH+]2CCC(c3cccc(Cl)c3Cl)CC2)c(=O)n(C)c1=O ZINC000463016468 564866753 /nfs/dbraw/zinc/86/67/53/564866753.db2.gz ZRUDZXZCJZRWAU-UHFFFAOYSA-N 1 0 382.291 2.770 20 0 GFADRO CCCC[N@H+](C)C[C@@H](C)NC(=O)C(=O)Nc1cc(Br)ccc1F ZINC000557538949 564867410 /nfs/dbraw/zinc/86/74/10/564867410.db2.gz YNTCFNSNLBTNEM-LLVKDONJSA-N 1 0 388.281 2.763 20 0 GFADRO C[C@H]1C[N@H+](C)C[C@H]1c1nc(CC(=O)Nc2ccccc2Br)no1 ZINC000463061332 564867591 /nfs/dbraw/zinc/86/75/91/564867591.db2.gz OGEFNOYDPGCABU-WDEREUQCSA-N 1 0 379.258 2.678 20 0 GFADRO Cc1ccc(Br)c(S(=O)(=O)NCC[N@H+]2CCCC[C@H]2C)c1 ZINC000497536134 564870241 /nfs/dbraw/zinc/87/02/41/564870241.db2.gz PBBMXACVDYYGCE-CYBMUJFWSA-N 1 0 375.332 2.910 20 0 GFADRO Cc1cc(F)c(NC(=O)N[C@H](C)C[C@@H](C)[NH3+])c(I)c1 ZINC000583025367 564872759 /nfs/dbraw/zinc/87/27/59/564872759.db2.gz WKZOKTCWYBIEMA-RKDXNWHRSA-N 1 0 379.217 2.986 20 0 GFADRO C[C@H](O)C[N@@H+]1CCN(C(=O)CCc2nc3cc(Cl)ccc3s2)[C@@H](C)C1 ZINC000530290625 564874574 /nfs/dbraw/zinc/87/45/74/564874574.db2.gz DBABAPAADQLODL-STQMWFEESA-N 1 0 381.929 2.796 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cc(F)c(F)cc2Br)CC1 ZINC000583084143 564875609 /nfs/dbraw/zinc/87/56/09/564875609.db2.gz YINXIDORKSQWJY-CABCVRRESA-N 1 0 389.240 2.696 20 0 GFADRO COc1ccc(Br)c2[nH]c(C(=O)NCC[N@H+]3CC=CCC3)cc21 ZINC000530307192 564875680 /nfs/dbraw/zinc/87/56/80/564875680.db2.gz GYQRNAAIXVNXBK-UHFFFAOYSA-N 1 0 378.270 2.931 20 0 GFADRO CC1CC[NH+](CCCCNS(=O)(=O)c2cccnc2C(F)(F)F)CC1 ZINC000557799184 564876803 /nfs/dbraw/zinc/87/68/03/564876803.db2.gz YVUNFXNSDONCLO-UHFFFAOYSA-N 1 0 379.448 2.891 20 0 GFADRO CC[N@H+](C[C@H](O)COc1ccc(Cl)cc1Br)[C@H]1CCOC1 ZINC000463455291 564881215 /nfs/dbraw/zinc/88/12/15/564881215.db2.gz LPMREHFVZASXHC-STQMWFEESA-N 1 0 378.694 2.953 20 0 GFADRO Cc1ccc(S(=O)(=O)NCC[NH2+]Cc2cnc(-c3ccncc3)s2)s1 ZINC000557844160 564881897 /nfs/dbraw/zinc/88/18/97/564881897.db2.gz NXUFHLULWBAZDX-UHFFFAOYSA-N 1 0 394.547 2.643 20 0 GFADRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1S(=O)(=O)c1cccc(Br)c1F ZINC000557852326 564881925 /nfs/dbraw/zinc/88/19/25/564881925.db2.gz DYEJVSYIHQYQES-DGCLKSJQSA-N 1 0 391.306 2.836 20 0 GFADRO Brc1ccc2ncc(C[NH2+][C@H]3CCOC4(CCOCC4)C3)n2c1 ZINC000557843163 564881950 /nfs/dbraw/zinc/88/19/50/564881950.db2.gz BHVUNNOXDMGAIL-AWEZNQCLSA-N 1 0 380.286 2.915 20 0 GFADRO C[C@H]([NH2+][C@H]1CCn2ccnc2C1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000530465508 564882426 /nfs/dbraw/zinc/88/24/26/564882426.db2.gz UTWXWAXGRGDLCP-UWVGGRQHSA-N 1 0 389.308 2.503 20 0 GFADRO COCC[N@H+](C)C[C@@H](O)CN1CCC(c2ccccc2Br)CC1 ZINC000583270977 564883115 /nfs/dbraw/zinc/88/31/15/564883115.db2.gz ISPDXLUIFKMRGQ-MRXNPFEDSA-N 1 0 385.346 2.568 20 0 GFADRO CCO[C@@H]1C[C@@]([NH3+])(C(=O)Nc2ccc(CN(C)C)c(Br)c2)C1(C)C ZINC000583261810 564883355 /nfs/dbraw/zinc/88/33/55/564883355.db2.gz ITJOBBQTXCRBGN-CRAIPNDOSA-N 1 0 398.345 2.982 20 0 GFADRO C[C@H](NC(=O)C(=O)N1CC[C@]2(C1)CCC[NH2+]C2)c1ccc(Cl)cc1Cl ZINC000583253791 564883539 /nfs/dbraw/zinc/88/35/39/564883539.db2.gz SRDSCLRJRWHHRE-KPZWWZAWSA-N 1 0 384.307 2.773 20 0 GFADRO C[C@H](O)[C@@H]1CCC[N@H+](Cc2ccc(Br)cc2N2CCOCC2)C1 ZINC000530494620 564884355 /nfs/dbraw/zinc/88/43/55/564884355.db2.gz DTVSXSPTCVGDNM-LSDHHAIUSA-N 1 0 383.330 2.879 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NCc2cccc(Cl)c2Cl)[C@@H](C)C1 ZINC000583277397 564884598 /nfs/dbraw/zinc/88/45/98/564884598.db2.gz SJDZTOJXIRAMMW-WFASDCNBSA-N 1 0 386.323 2.798 20 0 GFADRO CC[NH+](CC)CCNC(=O)N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000498121749 564889066 /nfs/dbraw/zinc/88/90/66/564889066.db2.gz VGDXKDIOPLIDKW-HNNXBMFYSA-N 1 0 387.311 2.740 20 0 GFADRO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)C(=O)[C@H](C)N3CCSCC3)C2)s1 ZINC000558038049 564889715 /nfs/dbraw/zinc/88/97/15/564889715.db2.gz QINAIEQUWWMSTC-IRXDYDNUSA-N 1 0 381.611 2.774 20 0 GFADRO COCC[N@@H+]1CC[C@H](NC(=O)C(C)(C)c2ccc(Br)c(C)c2)C1 ZINC000583411582 564889798 /nfs/dbraw/zinc/88/97/98/564889798.db2.gz QTIRKSBFRXUOAR-HNNXBMFYSA-N 1 0 383.330 2.872 20 0 GFADRO NC(=O)[C@@H](c1ccccc1)N1CCN(Cc2cscc2Br)CC1 ZINC000583408488 564889870 /nfs/dbraw/zinc/88/98/70/564889870.db2.gz ZMPMCUIFHBLMSH-MRXNPFEDSA-N 1 0 394.338 2.855 20 0 GFADRO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)COc1cc(Cl)cc(Cl)c1 ZINC000463818643 564890964 /nfs/dbraw/zinc/89/09/64/564890964.db2.gz PYZZXOYQEIMNFZ-UHFFFAOYSA-N 1 0 388.339 2.857 20 0 GFADRO [NH3+][C@@H]1CCc2ncc(NC(=O)Cc3cc(F)ccc3Br)cc2C1 ZINC000583435433 564891106 /nfs/dbraw/zinc/89/11/06/564891106.db2.gz CJSGGQYONZUCIX-CYBMUJFWSA-N 1 0 378.245 2.980 20 0 GFADRO CC(C)Sc1ccc(Cl)cc1NC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000583452378 564892331 /nfs/dbraw/zinc/89/23/31/564892331.db2.gz GNHOQUMMOBOIMA-CHWSQXEVSA-N 1 0 382.917 2.616 20 0 GFADRO C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)[C@@H]([NH3+])CC(F)F)CC1 ZINC000498217307 564892973 /nfs/dbraw/zinc/89/29/73/564892973.db2.gz RVHWFCAXVCUVCR-FZMZJTMJSA-N 1 0 390.272 2.637 20 0 GFADRO C[C@](O)(C[NH2+]Cc1ccc(S(C)(=O)=O)c(C(F)(F)F)c1)C(F)(F)F ZINC000583495379 564894220 /nfs/dbraw/zinc/89/42/20/564894220.db2.gz BEKJIGLBKGMNFB-NSHDSACASA-N 1 0 379.322 2.512 20 0 GFADRO O=C1C[C@@H](C[NH2+]Cc2cnn(-c3ccc(Br)cc3)c2)CN1C1CC1 ZINC000583504484 564895019 /nfs/dbraw/zinc/89/50/19/564895019.db2.gz SHNKUGHJNGPSRN-ZDUSSCGKSA-N 1 0 389.297 2.735 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)[C@H]1CS[C@]2(C)CCC(=O)N12)c1ccc(Cl)cc1 ZINC000530829169 564896193 /nfs/dbraw/zinc/89/61/93/564896193.db2.gz BUZRJSZOMNZXDO-IIDMSEBBSA-N 1 0 381.929 2.513 20 0 GFADRO O=S(=O)(c1cccs1)N1CC[C@@H](C[NH2+]Cc2cc3cccnc3o2)C1 ZINC000583545780 564896838 /nfs/dbraw/zinc/89/68/38/564896838.db2.gz FJBMCWQXGHSEPS-ZDUSSCGKSA-N 1 0 377.491 2.690 20 0 GFADRO CCO[C@H]1C[C@@H]([NH2+][C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)C12CCC2 ZINC000558258073 564896975 /nfs/dbraw/zinc/89/69/75/564896975.db2.gz PBAWRHXVTQDUJO-OAGGEKHMSA-N 1 0 384.567 2.839 20 0 GFADRO C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]C[C@H](CO)c1cccnc1 ZINC000558274962 564897187 /nfs/dbraw/zinc/89/71/87/564897187.db2.gz DRBGRZUHRWCPDW-DZGCQCFKSA-N 1 0 392.297 2.927 20 0 GFADRO O=C(NCCCC[NH+]1CCOCC1)[C@@H]1C[C@@H]1c1ccc(Br)cc1 ZINC000498428772 564898418 /nfs/dbraw/zinc/89/84/18/564898418.db2.gz GSXBUZODHBQYPI-IAGOWNOFSA-N 1 0 381.314 2.781 20 0 GFADRO CSc1ccc(S(=O)(=O)N2C[C@@H](SC)[C@H]([NH+](C)C)C2)cc1Cl ZINC000464195396 564898527 /nfs/dbraw/zinc/89/85/27/564898527.db2.gz QCPCNAOCTBSVDC-TZMCWYRMSA-N 1 0 380.988 2.728 20 0 GFADRO CCN(CC)S(=O)(=O)c1ccc(C[NH2+]Cc2cccc3c[nH]nc32)s1 ZINC000530974505 564899078 /nfs/dbraw/zinc/89/90/78/564899078.db2.gz VBKAAQYIHCKQLC-UHFFFAOYSA-N 1 0 378.523 2.945 20 0 GFADRO C[C@@H](Oc1ccc(F)cc1Br)C(=O)N(C)[C@@H]1C[NH+]2CCC1CC2 ZINC000498487357 564899179 /nfs/dbraw/zinc/89/91/79/564899179.db2.gz VLZYSBAXKNBRGS-IAQYHMDHSA-N 1 0 385.277 2.908 20 0 GFADRO CC[NH+](CC)CC[C@@H](CO)NC(=O)Nc1cc(Br)cc(OC)c1 ZINC000498544068 564901547 /nfs/dbraw/zinc/90/15/47/564901547.db2.gz OFAXYOHMBRLNFM-ZDUSSCGKSA-N 1 0 388.306 2.672 20 0 GFADRO Cc1ccc(-c2csc(NC(=O)C(=O)NCC3CC[NH+](C)CC3)n2)s1 ZINC000498563330 564901663 /nfs/dbraw/zinc/90/16/63/564901663.db2.gz JICOSZLXLBOBGA-UHFFFAOYSA-N 1 0 378.523 2.577 20 0 GFADRO CC[NH+](CC)CCS(=O)(=O)N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1 ZINC000558473310 564902563 /nfs/dbraw/zinc/90/25/63/564902563.db2.gz XNFRSLHIJURDHU-ZDUSSCGKSA-N 1 0 394.368 2.833 20 0 GFADRO CC[N@@H+]1C[C@@H](C)N(C(=O)c2cc(F)ccc2I)C[C@@H]1C ZINC000498573469 564902922 /nfs/dbraw/zinc/90/29/22/564902922.db2.gz UIMHWQSQVBBDGX-WDEREUQCSA-N 1 0 390.240 2.985 20 0 GFADRO CSc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCCN(S(=O)(=O)N(C)C)C1)CCC2 ZINC000583693450 564903430 /nfs/dbraw/zinc/90/34/30/564903430.db2.gz QPMIPFLIUZKNRA-QAPCUYQASA-N 1 0 383.583 2.646 20 0 GFADRO C[C@H](CNC(=O)C(=O)Nc1cc(Cl)ccc1C(F)(F)F)[N@H+](C)C1CC1 ZINC000498673390 564904952 /nfs/dbraw/zinc/90/49/52/564904952.db2.gz UVIBTAOJKIOKNS-SECBINFHSA-N 1 0 377.794 2.896 20 0 GFADRO CSc1cccc(NC(=O)C(=O)NCC2(SC)CC[NH+](C)CC2)c1C ZINC000558537476 564905051 /nfs/dbraw/zinc/90/50/51/564905051.db2.gz WBWRPDSKACRIBG-UHFFFAOYSA-N 1 0 381.567 2.599 20 0 GFADRO C[C@H]1CC[N@H+](C)CCN1C(=O)[C@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1 ZINC000498708660 564905834 /nfs/dbraw/zinc/90/58/34/564905834.db2.gz VXROATBVQTWUMW-STQMWFEESA-N 1 0 384.307 2.899 20 0 GFADRO COC[C@]1(CNC(=O)c2ccc(Br)cc2OC(C)C)CCC[NH2+]1 ZINC000583807088 564907945 /nfs/dbraw/zinc/90/79/45/564907945.db2.gz QAVFRUWJSUUAKI-QGZVFWFLSA-N 1 0 385.302 2.735 20 0 GFADRO COCC[NH2+]C1CCN(C(=O)NCc2ccc(Br)c(C)c2)CC1 ZINC000583817248 564909208 /nfs/dbraw/zinc/90/92/08/564909208.db2.gz DOAHFYAXKCWBHX-UHFFFAOYSA-N 1 0 384.318 2.668 20 0 GFADRO COCCN(CC[NH+](C)C)C(=O)N[C@H]1C[C@H](c2ccc(Br)cc2)C1 ZINC000464553255 564909724 /nfs/dbraw/zinc/90/97/24/564909724.db2.gz ROHMNDKLYUMZBM-JCNLHEQBSA-N 1 0 398.345 2.915 20 0 GFADRO CNC(=O)CCC[N@H+](C)[C@@H]1CCCN(c2ccc(Br)c(C)c2)C1=O ZINC000464689617 564915867 /nfs/dbraw/zinc/91/58/67/564915867.db2.gz UOUMHNPECGELHP-MRXNPFEDSA-N 1 0 396.329 2.711 20 0 GFADRO CS(=O)(=O)NCCC[NH2+][C@@H]1CCCCc2cc(Br)ccc21 ZINC000558919606 564917892 /nfs/dbraw/zinc/91/78/92/564917892.db2.gz LYABNWKCYWSBOX-OAHLLOKOSA-N 1 0 375.332 2.746 20 0 GFADRO C[C@@H]([NH2+]Cc1ccc(C(=O)NCC(N)=O)cc1)c1sccc1Br ZINC000531682080 564918252 /nfs/dbraw/zinc/91/82/52/564918252.db2.gz LTTZROQKZLYWIH-SNVBAGLBSA-N 1 0 396.310 2.577 20 0 GFADRO CCN(CC)C(=O)C[C@@H](C)[NH2+]CCCNC(=O)c1ccc(Br)cc1 ZINC000531708136 564918367 /nfs/dbraw/zinc/91/83/67/564918367.db2.gz WWDORIGRCDESBX-CQSZACIVSA-N 1 0 398.345 2.806 20 0 GFADRO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[N@@H+]1CCC[C@@]2(CNC(=O)C2)C1 ZINC000464800731 564918630 /nfs/dbraw/zinc/91/86/30/564918630.db2.gz GPMHKRMLJGLZOA-GOSISDBHSA-N 1 0 384.307 2.554 20 0 GFADRO Cc1cc(NC(=O)C[NH2+]C[C@@H]2CCCO2)nn1-c1ccc(Cl)c(Cl)c1 ZINC000584107805 564921495 /nfs/dbraw/zinc/92/14/95/564921495.db2.gz NZGQUVBCJUGHDD-ZDUSSCGKSA-N 1 0 383.279 3.195 20 0 GFADRO O=S(=O)(c1c(Cl)cccc1Br)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000584113327 564921682 /nfs/dbraw/zinc/92/16/82/564921682.db2.gz MTRLNCNSENBVSG-CQSZACIVSA-N 1 0 393.734 2.867 20 0 GFADRO C[C@@H](CNC(=O)C(=O)Nc1ccc(Cl)cc1Br)[NH+]1CCCC1 ZINC000531929710 564925362 /nfs/dbraw/zinc/92/53/62/564925362.db2.gz OGDZCLUXCXFNDS-JTQLQIEISA-N 1 0 388.693 2.642 20 0 GFADRO C[C@@H](CNC(=O)c1cc(Br)cnc1N(C)C)[N@@H+]1CCCC[C@H]1C ZINC000499390533 564925614 /nfs/dbraw/zinc/92/56/14/564925614.db2.gz PFRIUXUJXFQQQG-OLZOCXBDSA-N 1 0 383.334 2.903 20 0 GFADRO C[C@@H](CNC(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1)Oc1cccc(Br)c1 ZINC000465688925 564930501 /nfs/dbraw/zinc/93/05/01/564930501.db2.gz JXFTZNDVGDXOGW-KBPBESRZSA-N 1 0 396.329 3.000 20 0 GFADRO O=C(NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1)N[C@H]1CCSC1 ZINC000465895147 564933601 /nfs/dbraw/zinc/93/36/01/564933601.db2.gz ACEBGZGUWTXLET-INIZCTEOSA-N 1 0 382.961 2.657 20 0 GFADRO CCn1cc(CC(=O)N(CC[NH+](C)C)Cc2ccc(Br)cc2)cn1 ZINC000559512617 564934562 /nfs/dbraw/zinc/93/45/62/564934562.db2.gz OWWGPKRKZLKZTF-UHFFFAOYSA-N 1 0 393.329 2.798 20 0 GFADRO C[C@H](CNC(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1)Oc1cccc(Br)c1 ZINC000466050533 564935438 /nfs/dbraw/zinc/93/54/38/564935438.db2.gz OAJNOKLXEMUTEB-GZBFAFLISA-N 1 0 384.318 2.998 20 0 GFADRO CN(C)c1ncc(Br)cc1C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000499807540 564937079 /nfs/dbraw/zinc/93/70/79/564937079.db2.gz LGOSYYNCMXOICT-CQSZACIVSA-N 1 0 381.318 2.611 20 0 GFADRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)NCc1c(Cl)cccc1Cl ZINC000559805657 564940822 /nfs/dbraw/zinc/94/08/22/564940822.db2.gz ZXEZWWSHAAEKIX-GFCCVEGCSA-N 1 0 386.323 2.798 20 0 GFADRO O=C(CNC(=O)c1ccc(Cl)cc1Cl)NCC1CC[NH+](C2CC2)CC1 ZINC000559937568 564942145 /nfs/dbraw/zinc/94/21/45/564942145.db2.gz CJDVVAUULCMILZ-UHFFFAOYSA-N 1 0 384.307 2.714 20 0 GFADRO C[C@H](CNC(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C)Oc1cccc(Br)c1 ZINC000466543055 564942821 /nfs/dbraw/zinc/94/28/21/564942821.db2.gz DGFGKQTZJPSMQN-PBFPGSCMSA-N 1 0 396.329 2.998 20 0 GFADRO Oc1ccc(Br)c(CNC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000532724586 564943114 /nfs/dbraw/zinc/94/31/14/564943114.db2.gz OESXFSTWJCOQJB-LJQANCHMSA-N 1 0 391.309 2.881 20 0 GFADRO C[C@H](CNC(=O)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C)Oc1ccccc1Br ZINC000466547936 564943587 /nfs/dbraw/zinc/94/35/87/564943587.db2.gz JQNBLVYKPRTJLW-IOASZLSFSA-N 1 0 396.329 2.998 20 0 GFADRO CN(Cc1cc2c(cc1Br)OCO2)CC(C)(C)C[NH+]1CCOCC1 ZINC000532780490 564946091 /nfs/dbraw/zinc/94/60/91/564946091.db2.gz RPPHXBFBQVGJRM-UHFFFAOYSA-N 1 0 399.329 2.968 20 0 GFADRO CC(C)(C)[C@H](O)C[C@@H](CO)[NH2+]CC1=Cc2cc(Br)ccc2OC1 ZINC000560066306 564947849 /nfs/dbraw/zinc/94/78/49/564947849.db2.gz BSMXOZPIIKLJRR-DOTOQJQBSA-N 1 0 384.314 2.973 20 0 GFADRO C[C@@H](C[NH+]1CCCCC1)NC(=O)c1cccnc1-n1cc(Br)cn1 ZINC000560069312 564947969 /nfs/dbraw/zinc/94/79/69/564947969.db2.gz UUJBRUQTSQHNIY-ZDUSSCGKSA-N 1 0 392.301 2.634 20 0 GFADRO C[C@H](C[NH+]1CCCCC1)NC(=O)c1cccnc1-n1cc(Br)cn1 ZINC000560069310 564948080 /nfs/dbraw/zinc/94/80/80/564948080.db2.gz UUJBRUQTSQHNIY-CYBMUJFWSA-N 1 0 392.301 2.634 20 0 GFADRO O=C(NCCCC[NH+]1CCN(c2ncccn2)CC1)c1csc(Cl)c1 ZINC000466996324 564952320 /nfs/dbraw/zinc/95/23/20/564952320.db2.gz OHIXDJXLASSDSF-UHFFFAOYSA-N 1 0 379.917 2.524 20 0 GFADRO C[C@H](Oc1ccc(F)cc1Br)C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000467029126 564953086 /nfs/dbraw/zinc/95/30/86/564953086.db2.gz PUYKIMHIPREKMZ-JRPNMDOOSA-N 1 0 385.277 2.954 20 0 GFADRO COc1cc(Br)ccc1[C@@H](C)[NH2+]C[C@@H]1CCCS(=O)(=O)C1 ZINC000560194649 564953538 /nfs/dbraw/zinc/95/35/38/564953538.db2.gz HXMZFJAHPIAVSB-NEPJUHHUSA-N 1 0 376.316 2.933 20 0 GFADRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)CCOc1ccc(Br)cc1F ZINC000467028950 564953786 /nfs/dbraw/zinc/95/37/86/564953786.db2.gz OFSPRGXMGWSWBX-ABAIWWIYSA-N 1 0 385.277 2.956 20 0 GFADRO Cc1ccc(C[NH2+][C@@H]2CCC[C@H]2CNS(C)(=O)=O)cc1Br ZINC000500460117 564954013 /nfs/dbraw/zinc/95/40/13/564954013.db2.gz HLGUTEIWXYXOGN-DZGCQCFKSA-N 1 0 375.332 2.565 20 0 GFADRO O=S1(=O)CCC(O)(C[NH2+][C@H]2CCCSc3ccc(Cl)cc32)CC1 ZINC000560270027 564955150 /nfs/dbraw/zinc/95/51/50/564955150.db2.gz YXWDGBXEOQDBOQ-AWEZNQCLSA-N 1 0 375.943 2.796 20 0 GFADRO CS(=O)(=O)NC[C@H]1CCC[C@H]1[NH2+]Cc1ccc(Br)c(Cl)c1 ZINC000500499808 564956473 /nfs/dbraw/zinc/95/64/73/564956473.db2.gz FOKHSOONKVHBIV-BXUZGUMPSA-N 1 0 395.750 2.910 20 0 GFADRO CN(CC(=O)Nc1c(F)cc(F)cc1Br)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000467137328 564956821 /nfs/dbraw/zinc/95/68/21/564956821.db2.gz FHPFSAVJMHLDML-LBPRGKRZSA-N 1 0 388.256 2.834 20 0 GFADRO Cc1ccc(-c2ncc(C[NH2+][C@@H]3CCC[C@H]3CNS(C)(=O)=O)s2)cc1 ZINC000500543794 564956965 /nfs/dbraw/zinc/95/69/65/564956965.db2.gz FVJSMHWJTDYGRA-DOTOQJQBSA-N 1 0 379.551 2.926 20 0 GFADRO CC[C@H]1C[C@@H](C)C[N@@H+]1CC(=O)NCC(=O)Nc1ccccc1Br ZINC000467212413 564958680 /nfs/dbraw/zinc/95/86/80/564958680.db2.gz WWXFVKFOUFAUHB-OLZOCXBDSA-N 1 0 382.302 2.624 20 0 GFADRO C[C@@H](CNS(=O)(=O)N(C)Cc1c(F)cccc1Cl)[NH+]1CCC(C)CC1 ZINC000500687795 564960599 /nfs/dbraw/zinc/96/05/99/564960599.db2.gz NOUIGFRMJPCJIR-AWEZNQCLSA-N 1 0 391.940 2.866 20 0 GFADRO C[C@@H](CC(=O)OC(C)(C)C)[NH2+]CCCNS(=O)(=O)c1ccccc1Cl ZINC000467415765 564962886 /nfs/dbraw/zinc/96/28/86/564962886.db2.gz CPRLIRMSOZSDMH-ZDUSSCGKSA-N 1 0 390.933 2.718 20 0 GFADRO CCC[NH+]1CCC(Nc2cnc(N3CCOCC3)c(Br)c2)CC1 ZINC000467438172 564963514 /nfs/dbraw/zinc/96/35/14/564963514.db2.gz YYDTXRMZWQBCKL-UHFFFAOYSA-N 1 0 383.334 2.967 20 0 GFADRO CC[C@@H]([NH2+][C@@H]1CCN(CCC(=O)OC)C1=O)c1ccc(Br)cc1 ZINC000500834279 564963768 /nfs/dbraw/zinc/96/37/68/564963768.db2.gz ARMXJZYZAQFWJU-HUUCEWRRSA-N 1 0 383.286 2.654 20 0 GFADRO CC(C)[C@H](Oc1ccccc1Br)C(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000560483905 564964927 /nfs/dbraw/zinc/96/49/27/564964927.db2.gz ADAJADKLJGUJDU-ZQIUZPCESA-N 1 0 381.314 2.920 20 0 GFADRO O=C(NC[C@]1(O)C[NH+]2CCC1CC2)c1csc(-c2ccccc2Cl)n1 ZINC000560506047 564965703 /nfs/dbraw/zinc/96/57/03/564965703.db2.gz YUIZUWCPUBWTJF-SFHVURJKSA-N 1 0 377.897 2.650 20 0 GFADRO C[C@H]([NH2+]CCN1CCO[C@H](C)C1)c1cc2c(cc1Br)OCCO2 ZINC000501004985 564967573 /nfs/dbraw/zinc/96/75/73/564967573.db2.gz CKTDDHSYUQRVDE-OLZOCXBDSA-N 1 0 385.302 2.592 20 0 GFADRO C[C@H]([NH2+][C@@H](C)C1(S(C)(=O)=O)CC1)c1ccc(I)cc1 ZINC000560580732 564969067 /nfs/dbraw/zinc/96/90/67/564969067.db2.gz IRVGENJWGMIDNG-QWRGUYRKSA-N 1 0 393.290 2.908 20 0 GFADRO CS[C@@H]1CN(C(=O)[C@H](C)Oc2cccc(Br)c2)C[C@@H]1[NH+](C)C ZINC000534093240 564979453 /nfs/dbraw/zinc/97/94/53/564979453.db2.gz SHQGLADBXSCQDK-TUKIKUTGSA-N 1 0 387.343 2.720 20 0 GFADRO CS[C@@H]1CN(C(=O)[C@H](C)Oc2ccccc2C(F)(F)F)C[C@H]1[NH+](C)C ZINC000534093589 564979461 /nfs/dbraw/zinc/97/94/61/564979461.db2.gz WQYWXZGFFOMDCY-NJZAAPMLSA-N 1 0 376.444 2.977 20 0 GFADRO CS[C@@H]1CN(CC(=O)Nc2ccc(Br)cc2F)C[C@H]1[NH+](C)C ZINC000534216316 564982909 /nfs/dbraw/zinc/98/29/09/564982909.db2.gz MTJVMBZHLBXLID-ZIAGYGMSSA-N 1 0 390.322 2.504 20 0 GFADRO COc1ccc(CN2C[C@H](SC)[C@@H]([NH+](C)C)C2)c(Br)c1OC ZINC000534219260 564983065 /nfs/dbraw/zinc/98/30/65/564983065.db2.gz YKSZNFPORNZWMO-JSGCOSHPSA-N 1 0 389.359 2.944 20 0 GFADRO CN(C)[C@H](C(=O)N1CC[C@@H](C(F)(F)F)[C@H](CO)C1)c1cccc(Cl)c1 ZINC000561168444 564986206 /nfs/dbraw/zinc/98/62/06/564986206.db2.gz WHXACTREQJBFLK-CFVMTHIKSA-N 1 0 378.822 2.962 20 0 GFADRO O=C(NC[C@H]1C[NH2+]CCCO1)NCC1(c2cccc(Br)c2)CCC1 ZINC000561174464 564986358 /nfs/dbraw/zinc/98/63/58/564986358.db2.gz YEWPBWWLFKMKLB-MRXNPFEDSA-N 1 0 396.329 2.549 20 0 GFADRO C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCc1nc(-c2cccc(Br)c2)no1 ZINC000468629816 564988566 /nfs/dbraw/zinc/98/85/66/564988566.db2.gz NAOXACFULZTBCC-RYUDHWBXSA-N 1 0 393.285 2.988 20 0 GFADRO O=C(NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)N[C@@H](CO)CC(F)(F)F ZINC000534552619 564991863 /nfs/dbraw/zinc/99/18/63/564991863.db2.gz BHSFQYCOKBMYIG-QWHCGFSZSA-N 1 0 379.448 2.573 20 0 GFADRO CC[NH+](CC)CCOCCNC(=O)NCc1cccc(C)c1Br ZINC000468743064 564992221 /nfs/dbraw/zinc/99/22/21/564992221.db2.gz KZMOWUVLBNUCDM-UHFFFAOYSA-N 1 0 386.334 2.915 20 0 GFADRO Cc1ccc([C@@H](CNC(=O)c2cc[nH]c(=O)c2Br)[NH+](C)C)cc1 ZINC000468808015 564994371 /nfs/dbraw/zinc/99/43/71/564994371.db2.gz CWPHKMLRJVHBHQ-CQSZACIVSA-N 1 0 378.270 2.891 20 0 GFADRO C[C@@H](O)C[N@@H+]1CCN(C(=O)N[C@H](C)c2ccc(Br)s2)[C@H](C)C1 ZINC000502376570 564997151 /nfs/dbraw/zinc/99/71/51/564997151.db2.gz OOASAGGFIWOTDU-IJLUTSLNSA-N 1 0 390.347 2.668 20 0 GFADRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1S(=O)(=O)c1ccc(Br)cc1F ZINC000561552373 565001452 /nfs/dbraw/zinc/00/14/52/565001452.db2.gz OCBKYMDTMBVPDS-FZMZJTMJSA-N 1 0 391.306 2.836 20 0 GFADRO CCCN(CC[NH+]1CCCCC1)C(=O)NCc1ccc(S(C)(=O)=O)s1 ZINC000502570898 565002069 /nfs/dbraw/zinc/00/20/69/565002069.db2.gz RXZXNVJGXXQGCY-UHFFFAOYSA-N 1 0 387.571 2.559 20 0 GFADRO OCC1([NH2+]CCCOc2cccc(I)c2)CCCC1 ZINC000469043329 565003369 /nfs/dbraw/zinc/00/33/69/565003369.db2.gz TWSQQTQZWKXRBN-UHFFFAOYSA-N 1 0 375.250 2.955 20 0 GFADRO O=C(Nc1cccc(I)c1)N1CC[NH+](C2CCC2)CC1 ZINC000502703686 565003667 /nfs/dbraw/zinc/00/36/67/565003667.db2.gz NGZJPJIEUUYRKK-UHFFFAOYSA-N 1 0 385.249 2.993 20 0 GFADRO O=c1cc(C[N@@H+]2CC[C@H](C3CCOCC3)C2)nc2ccc(Br)cn12 ZINC000535114879 565004999 /nfs/dbraw/zinc/00/49/99/565004999.db2.gz CFGFUZQMZAKEKN-AWEZNQCLSA-N 1 0 392.297 2.706 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CNC(=O)c1cn(-c2ccc(Br)cc2)cn1 ZINC000535153474 565006361 /nfs/dbraw/zinc/00/63/61/565006361.db2.gz OWFZISZEUNJBQN-HNNXBMFYSA-N 1 0 377.286 2.849 20 0 GFADRO CN(C(=O)C1(c2ccc(I)cc2)CC1)[C@H]1CCC[N@H+](C)C1 ZINC000502992932 565010075 /nfs/dbraw/zinc/01/00/75/565010075.db2.gz RBLDOJYPKHOANF-HNNXBMFYSA-N 1 0 398.288 2.875 20 0 GFADRO C[N@H+](CC(=O)NCCc1ccc(F)c(Br)c1)[C@@H]1CCSC1 ZINC000535317425 565010703 /nfs/dbraw/zinc/01/07/03/565010703.db2.gz DTDZHYCWPDIFKJ-GFCCVEGCSA-N 1 0 375.307 2.684 20 0 GFADRO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N(CCO)Cc1cc(Br)ccc1F ZINC000535413275 565013342 /nfs/dbraw/zinc/01/33/42/565013342.db2.gz CJQCDGQVEVZOLF-CHWSQXEVSA-N 1 0 387.293 2.782 20 0 GFADRO C[N@H+](C[C@H](O)CN1CCO[C@H](c2cc(F)c(Cl)cc2Cl)C1)C1CC1 ZINC000562029018 565015346 /nfs/dbraw/zinc/01/53/46/565015346.db2.gz CCCUCVATTSDYJE-SJCJKPOMSA-N 1 0 377.287 2.961 20 0 GFADRO CC[N@H+](CCNC(=O)C1(c2ccc(I)cc2)CC1)C1CC1 ZINC000503292355 565017216 /nfs/dbraw/zinc/01/72/16/565017216.db2.gz PAKJITIGBYVZAP-UHFFFAOYSA-N 1 0 398.288 2.923 20 0 GFADRO O=S1(=O)CCO[C@@H](C[NH2+]Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 ZINC000535785364 565021172 /nfs/dbraw/zinc/02/11/72/565021172.db2.gz SELBEICIJYAORM-LBPRGKRZSA-N 1 0 391.333 2.627 20 0 GFADRO CS[C@@H]1CN(C(=O)Cc2c(F)ccc(Br)c2F)C[C@@H]1[NH+](C)C ZINC000503538987 565022761 /nfs/dbraw/zinc/02/27/61/565022761.db2.gz OCQGTWUIWJMIFF-QWHCGFSZSA-N 1 0 393.297 2.774 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2C(=O)c1cccc(Br)c1F ZINC000469668411 565024022 /nfs/dbraw/zinc/02/40/22/565024022.db2.gz DIGBUPVMBWQUJT-UGFHNGPFSA-N 1 0 385.277 2.912 20 0 GFADRO CN(C)C(=O)CC[NH+]1CCN(Cc2ccc(Br)c(Cl)c2)CC1 ZINC000469715607 565024839 /nfs/dbraw/zinc/02/48/39/565024839.db2.gz OUBLLHLYIFMOBP-UHFFFAOYSA-N 1 0 388.737 2.698 20 0 GFADRO CO[C@@H](C)c1nc(CN2CCC[N@H+](C[C@H](O)CC(F)(F)F)CC2)cs1 ZINC000469720634 565025135 /nfs/dbraw/zinc/02/51/35/565025135.db2.gz JMNIBXFSONKMLW-GXTWGEPZSA-N 1 0 381.464 2.672 20 0 GFADRO CO[C@@H](C)c1nc(CN2CCC[N@H+](C[C@@H](O)CC(F)(F)F)CC2)cs1 ZINC000469720635 565025331 /nfs/dbraw/zinc/02/53/31/565025331.db2.gz JMNIBXFSONKMLW-JSGCOSHPSA-N 1 0 381.464 2.672 20 0 GFADRO C[NH+](C)CCn1cc(NC(=O)CCc2cc(Br)cs2)ccc1=O ZINC000535981922 565026396 /nfs/dbraw/zinc/02/63/96/565026396.db2.gz DUPJBBZBMMLADE-UHFFFAOYSA-N 1 0 398.326 2.805 20 0 GFADRO Cc1ccc(Cl)cc1S(=O)(=O)N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000469800647 565028076 /nfs/dbraw/zinc/02/80/76/565028076.db2.gz MMMROVIEPTZPTG-QGZVFWFLSA-N 1 0 386.945 2.914 20 0 GFADRO C[N@@H+]1CCCN(Cc2cc(Br)cc(Br)c2N)CC1 ZINC000469831801 565028435 /nfs/dbraw/zinc/02/84/35/565028435.db2.gz TZQNAWUWAFJQQW-UHFFFAOYSA-N 1 0 377.124 2.931 20 0 GFADRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)c1cc(Br)c(F)cc1F ZINC000469818661 565028733 /nfs/dbraw/zinc/02/87/33/565028733.db2.gz GNRJZKVIUNKPLF-SNVBAGLBSA-N 1 0 391.256 2.645 20 0 GFADRO C[C@@H](Cc1ccc(Br)c(F)c1)[NH2+]CC1(OCCO)CCOCC1 ZINC000503854499 565029382 /nfs/dbraw/zinc/02/93/82/565029382.db2.gz HUMBPGNLUBYNQV-ZDUSSCGKSA-N 1 0 390.293 2.667 20 0 GFADRO C[C@@H](CNC(=O)N[C@H](CO)c1ccc(Br)cc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000504081471 565035080 /nfs/dbraw/zinc/03/50/80/565035080.db2.gz ZXJZXHFJTKHMLE-JKIFEVAISA-N 1 0 398.345 2.902 20 0 GFADRO C[C@H]1C[N@H+](C)CCN1c1ccc(Br)cc1NC(=O)CC1(O)CCC1 ZINC000562629466 565036275 /nfs/dbraw/zinc/03/62/75/565036275.db2.gz QJWITKZYSMQCFB-ZDUSSCGKSA-N 1 0 396.329 2.833 20 0 GFADRO C[C@H]1C[N@H+](CCCNC(=O)CCOc2ccccc2Br)CCCO1 ZINC000470099419 565037992 /nfs/dbraw/zinc/03/79/92/565037992.db2.gz CGALSDNEKCSRIR-HNNXBMFYSA-N 1 0 399.329 2.835 20 0 GFADRO COc1ccc2c(c1)OC[C@@H]([NH2+][C@H](C(N)=O)c1cccc(Br)c1)C2 ZINC000504388167 565038713 /nfs/dbraw/zinc/03/87/13/565038713.db2.gz OOTHJAZLSMKSTP-YOEHRIQHSA-N 1 0 391.265 2.577 20 0 GFADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@@H](C)Cc1ccccc1Br ZINC000470178114 565040764 /nfs/dbraw/zinc/04/07/64/565040764.db2.gz XAQMUMYIWHOEDW-HOCLYGCPSA-N 1 0 398.345 2.790 20 0 GFADRO CC[C@@H](Cc1ccccc1Br)NC(=O)N[C@@H]1CC[N@H+](CCOC)C1 ZINC000470181390 565040975 /nfs/dbraw/zinc/04/09/75/565040975.db2.gz BVCOPIKACLJLMK-JKSUJKDBSA-N 1 0 398.345 2.790 20 0 GFADRO CC1CC[NH+](C[C@H](O)CNC(=O)NCc2cc(Cl)sc2Cl)CC1 ZINC000536590870 565041867 /nfs/dbraw/zinc/04/18/67/565041867.db2.gz QPNQLHITCOYYDB-GFCCVEGCSA-N 1 0 380.341 2.947 20 0 GFADRO CC[NH2+]CCCNC(=O)N(CCOC)Cc1sccc1Br ZINC000562814407 565043867 /nfs/dbraw/zinc/04/38/67/565043867.db2.gz ZODPLCKMJVLOTI-UHFFFAOYSA-N 1 0 378.336 2.668 20 0 GFADRO COc1cc(C(=O)Nc2cnc3c(c2)C[C@@H]([NH3+])CC3)sc1Br ZINC000470455871 565047065 /nfs/dbraw/zinc/04/70/65/565047065.db2.gz LFRNQTCCZITJJZ-VIFPVBQESA-N 1 0 382.283 2.983 20 0 GFADRO CS(=O)(=O)Nc1ccc(OCC[NH2+]Cc2cnc(C3CCC3)s2)cc1 ZINC000536894995 565049301 /nfs/dbraw/zinc/04/93/01/565049301.db2.gz YNRVWZBZFGXJTN-UHFFFAOYSA-N 1 0 381.523 2.951 20 0 GFADRO C[C@H](Cc1ccc(Br)cc1)NC(=O)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000562957539 565049483 /nfs/dbraw/zinc/04/94/83/565049483.db2.gz BJFQEXMPGKLRPJ-CXAGYDPISA-N 1 0 391.313 2.931 20 0 GFADRO C[C@H](CC[S@](C)=O)[NH2+][C@H](C)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000536911992 565050059 /nfs/dbraw/zinc/05/00/59/565050059.db2.gz WQDYPKMXLLLJKT-JOWJHRDDSA-N 1 0 386.583 2.669 20 0 GFADRO C[C@H]1CSc2ccc(Br)cc2[C@@H]1NC(=O)CCOC1C[NH2+]C1 ZINC000562971636 565050189 /nfs/dbraw/zinc/05/01/89/565050189.db2.gz VVZXTGDTWPKSKU-MGPLVRAMSA-N 1 0 385.327 2.727 20 0 GFADRO CC[C@@H]([NH2+]Cc1cc(=O)n2cc(Br)ccc2n1)C1CCOCC1 ZINC000537220945 565055045 /nfs/dbraw/zinc/05/50/45/565055045.db2.gz QSRDJCNAUHMUGU-OAHLLOKOSA-N 1 0 380.286 2.752 20 0 GFADRO O=C(CC1CC[NH2+]CC1)NCc1noc(-c2cccc(Br)c2)n1 ZINC000563095279 565055406 /nfs/dbraw/zinc/05/54/06/565055406.db2.gz OROSFOIFKCTZCH-UHFFFAOYSA-N 1 0 379.258 2.505 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)Nc2ccc(S(C)(=O)=O)c(C(F)F)c2)CC[N@@H+]1C ZINC000537228958 565055770 /nfs/dbraw/zinc/05/57/70/565055770.db2.gz FZFDIANHYNNUNR-PWSUYJOCSA-N 1 0 375.441 2.632 20 0 GFADRO CC[C@H]([NH2+]CCCN1CCC[C@@H]1C(N)=O)c1cc(F)cc(Br)c1 ZINC000537288512 565056310 /nfs/dbraw/zinc/05/63/10/565056310.db2.gz FGRIFJBSYOGQEW-JKSUJKDBSA-N 1 0 386.309 2.969 20 0 GFADRO O=C(CC[NH2+]C[C@H](CO)Cc1cccc(Br)c1)Nc1cccnc1 ZINC000563138319 565056862 /nfs/dbraw/zinc/05/68/62/565056862.db2.gz OVGMTABZTWPUQD-OAHLLOKOSA-N 1 0 392.297 2.614 20 0 GFADRO COc1cc(C[NH2+][C@@H](CCO)C(C)C)cc(I)c1OC ZINC000537312658 565056877 /nfs/dbraw/zinc/05/68/77/565056877.db2.gz WYYPVFNLNVYZDY-ZDUSSCGKSA-N 1 0 393.265 2.805 20 0 GFADRO O=C(NCC[N@H+]1CC=CCC1)c1ccn(-c2cccc(Br)c2)n1 ZINC000537723718 565062159 /nfs/dbraw/zinc/06/21/59/565062159.db2.gz LCCDLMWQCATLBJ-UHFFFAOYSA-N 1 0 375.270 2.627 20 0 GFADRO Cc1nc([C@@H](NC(=O)C[N@@H+](C)[C@@H]2CCSC2)c2ccc(Cl)cc2)no1 ZINC000537829002 565063561 /nfs/dbraw/zinc/06/35/61/565063561.db2.gz BKGQJMHPDPNUSJ-ZBFHGGJFSA-N 1 0 380.901 2.674 20 0 GFADRO Cc1nc([C@@H](NC(=O)C[N@@H+](C)[C@H]2CCSC2)c2ccc(Cl)cc2)no1 ZINC000537829000 565063697 /nfs/dbraw/zinc/06/36/97/565063697.db2.gz BKGQJMHPDPNUSJ-HOCLYGCPSA-N 1 0 380.901 2.674 20 0 GFADRO CSc1ccc(OC[C@@H](O)C[NH2+]Cc2ccc(C[S@](C)=O)cc2)cc1 ZINC000584347071 565076682 /nfs/dbraw/zinc/07/66/82/565076682.db2.gz YUVMILDTOSTBNJ-GKVSMKOHSA-N 1 0 379.547 2.817 20 0 GFADRO C[C@H](C[C@H](C)[NH3+])NC(=O)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000584349071 565076821 /nfs/dbraw/zinc/07/68/21/565076821.db2.gz BAFAQLNMVLUYLT-NWDGAFQWSA-N 1 0 387.311 2.587 20 0 GFADRO COC1CC[NH+](CCNC(=O)N[C@@H]2C[C@H]2c2ccccc2Br)CC1 ZINC000684673577 565078162 /nfs/dbraw/zinc/07/81/62/565078162.db2.gz SEDGHBXCKMMNRN-DOTOQJQBSA-N 1 0 396.329 2.715 20 0 GFADRO C[N@@H+]1CC[C@@H](CC(=O)NCc2cnn(-c3ccc(Br)cc3)c2)C1 ZINC000635863859 565078725 /nfs/dbraw/zinc/07/87/25/565078725.db2.gz WBSCOWGXXWNUJW-ZDUSSCGKSA-N 1 0 377.286 2.593 20 0 GFADRO Cc1cc(Br)cc(C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@H]2C)c1C ZINC000613764888 565079342 /nfs/dbraw/zinc/07/93/42/565079342.db2.gz FJUFBKJKPBWSDK-CYBMUJFWSA-N 1 0 383.330 2.983 20 0 GFADRO C[NH+](C)CC1(C(=O)NCc2c(Br)cncc2Br)CC1 ZINC000635976215 565084445 /nfs/dbraw/zinc/08/44/45/565084445.db2.gz GLNUADYWJHJNCF-UHFFFAOYSA-N 1 0 391.107 2.565 20 0 GFADRO CO[C@H]1C[C@@H]([NH2+]Cc2cc(=O)n3cc(Br)ccc3n2)C12CCC2 ZINC000657233438 565092097 /nfs/dbraw/zinc/09/20/97/565092097.db2.gz IYMQFZBNNMFEOG-KGLIPLIRSA-N 1 0 378.270 2.504 20 0 GFADRO C[NH+](C)C[C@@]1(O)CCCN(C(=O)c2c(Cl)cc(F)cc2Br)C1 ZINC000614069952 565094580 /nfs/dbraw/zinc/09/45/80/565094580.db2.gz GGOOWCKNDZBEQW-HNNXBMFYSA-N 1 0 393.684 2.770 20 0 GFADRO Cn1ncc(C2CC2)c1C[NH2+]CCNC(=O)c1ccc(Br)cc1 ZINC000657323546 565098308 /nfs/dbraw/zinc/09/83/08/565098308.db2.gz HJSNNXAVHKMXBV-UHFFFAOYSA-N 1 0 377.286 2.580 20 0 GFADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)Cc1ccc(Br)cc1F ZINC000614132171 565098991 /nfs/dbraw/zinc/09/89/91/565098991.db2.gz HHEIXMCVUXRTCN-CYBMUJFWSA-N 1 0 399.304 2.842 20 0 GFADRO CN(C)CC[N@H+](C)CCCNC(=O)Cc1cc(Cl)ccc1Br ZINC000685200172 565100336 /nfs/dbraw/zinc/10/03/36/565100336.db2.gz PLTCNTKGYQQUOA-UHFFFAOYSA-N 1 0 390.753 2.645 20 0 GFADRO CN(C)CC[N@H+](C)CCCNC(=O)CCc1ccc(Br)cc1F ZINC000685199558 565100574 /nfs/dbraw/zinc/10/05/74/565100574.db2.gz HSHBLXREWBTXKH-UHFFFAOYSA-N 1 0 388.325 2.521 20 0 GFADRO OC[C@@H](C[NH2+]Cc1ccnn1CC1CC1)Cc1ccccc1Br ZINC000657448058 565101266 /nfs/dbraw/zinc/10/12/66/565101266.db2.gz GXOGPVFCTQLPNA-OAHLLOKOSA-N 1 0 378.314 2.996 20 0 GFADRO Cc1cc(N2CCC[C@H]([NH2+]Cc3c(F)cncc3Br)C2)n(C)n1 ZINC000657450454 565101972 /nfs/dbraw/zinc/10/19/72/565101972.db2.gz UMTDGBJSPXKBGL-LBPRGKRZSA-N 1 0 382.281 2.784 20 0 GFADRO CCCn1nccc1C[NH2+]CCNS(=O)(=O)c1cccc(Cl)c1Cl ZINC000657465344 565103352 /nfs/dbraw/zinc/10/33/52/565103352.db2.gz ZAEPHLHTXFODGR-UHFFFAOYSA-N 1 0 391.324 2.668 20 0 GFADRO COc1ccc(C[C@H](CO)C[NH2+]Cc2cnn3c2CCC3)cc1Br ZINC000657485136 565103567 /nfs/dbraw/zinc/10/35/67/565103567.db2.gz XPFVCCBUTOBCNM-AWEZNQCLSA-N 1 0 394.313 2.541 20 0 GFADRO CCCn1nccc1CNc1cc(N2CCOCC2)c(Br)c[nH+]1 ZINC000657486498 565104659 /nfs/dbraw/zinc/10/46/59/565104659.db2.gz CLPCLYPVWGFUBX-UHFFFAOYSA-N 1 0 380.290 2.899 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+][C@H]1COC(C)(C)C1 ZINC000657529959 565106228 /nfs/dbraw/zinc/10/62/28/565106228.db2.gz CADXDEOBRWQDDG-SMDDNHRTSA-N 1 0 385.302 2.620 20 0 GFADRO COc1ccc(C[NH2+][C@H](CO)[C@H]2CCC[C@@H](OC)C2)c(Br)c1O ZINC000657576248 565110040 /nfs/dbraw/zinc/11/00/40/565110040.db2.gz JHJQRQKHPOWGBP-IACUBPJLSA-N 1 0 388.302 2.819 20 0 GFADRO CCCC[N@H+](C)C[C@@H](C)NS(=O)(=O)c1cc2c(cc1Cl)OCCO2 ZINC000685515933 565110784 /nfs/dbraw/zinc/11/07/84/565110784.db2.gz QQDDUPYOGMVBLL-GFCCVEGCSA-N 1 0 376.906 2.510 20 0 GFADRO OCCO[C@@]1(C[NH2+]Cc2cc(Br)cc(C(F)(F)F)c2)CCOC1 ZINC000657599035 565111520 /nfs/dbraw/zinc/11/15/20/565111520.db2.gz YUXYPEMLEXKGJT-CQSZACIVSA-N 1 0 398.219 2.726 20 0 GFADRO O=C(c1ccc(F)c(Br)c1)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000614438247 565112191 /nfs/dbraw/zinc/11/21/91/565112191.db2.gz NXGBBHYTHLBUJA-CQSZACIVSA-N 1 0 385.277 2.915 20 0 GFADRO CC(C)[NH+]1CCC(C(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)CC1 ZINC000636446817 565112279 /nfs/dbraw/zinc/11/22/79/565112279.db2.gz CWGIHRVTFXHBIS-UHFFFAOYSA-N 1 0 381.523 2.759 20 0 GFADRO FC(F)CN1CCC([NH2+]Cc2ncc(I)s2)CC1 ZINC000586776521 565115595 /nfs/dbraw/zinc/11/55/95/565115595.db2.gz WIAVPMPKBZGPAD-UHFFFAOYSA-N 1 0 387.237 2.567 20 0 GFADRO C[C@@H]1CC[C@@H]([NH2+]Cc2cnn(-c3ccc(Br)cc3)c2)CS1(=O)=O ZINC000657639390 565115914 /nfs/dbraw/zinc/11/59/14/565115914.db2.gz SCEQUDGHFKAJED-IUODEOHRSA-N 1 0 398.326 2.690 20 0 GFADRO CCCC[N@H+](C)CCNC(=O)C(=O)Nc1ccc(Br)c(F)c1C ZINC000657651120 565117002 /nfs/dbraw/zinc/11/70/02/565117002.db2.gz RMFLOOHLYIHIRK-UHFFFAOYSA-N 1 0 388.281 2.683 20 0 GFADRO C[C@@]1(c2ccc(C[NH2+]Cc3ccc(Br)s3)cc2)NC(=O)NC1=O ZINC000586833693 565119451 /nfs/dbraw/zinc/11/94/51/565119451.db2.gz QMQXGMMFMXPBST-INIZCTEOSA-N 1 0 394.294 2.855 20 0 GFADRO COc1sc(C[NH2+]C2CCN([C@H]3CCOC3)CC2)cc1Br ZINC000657750598 565126714 /nfs/dbraw/zinc/12/67/14/565126714.db2.gz JJNKFYUDBPLYAR-LBPRGKRZSA-N 1 0 375.332 2.862 20 0 GFADRO O=C(N[C@@H](CO)C[NH+]1CCCCC1)c1c(Cl)cccc1Br ZINC000614660549 565127010 /nfs/dbraw/zinc/12/70/10/565127010.db2.gz KBEPPONWFQPALJ-LLVKDONJSA-N 1 0 375.694 2.679 20 0 GFADRO OCC1([C@@H]([NH2+]Cc2cc3c(c(Br)c2)OCO3)[C@@H]2CCCO2)CCC1 ZINC000685851257 565127368 /nfs/dbraw/zinc/12/73/68/565127368.db2.gz FTXFPPJIPRLMBY-YOEHRIQHSA-N 1 0 398.297 2.978 20 0 GFADRO CC(C)(C[NH2+]Cc1cc2c(c(Br)c1)OCO2)[C@]1(O)CCCOC1 ZINC000657768900 565128427 /nfs/dbraw/zinc/12/84/27/565128427.db2.gz ZOSHJSNCBKDBFI-KRWDZBQOSA-N 1 0 386.286 2.835 20 0 GFADRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1cc(Br)cc2[nH]c(=O)[nH]c21 ZINC000614724975 565130738 /nfs/dbraw/zinc/13/07/38/565130738.db2.gz OPBLUOQEKWBESX-ZYHUDNBSSA-N 1 0 393.285 2.730 20 0 GFADRO Cc1ccccc1[C@H]([C@@H](C)Nc1cnn(C)c(=O)c1Br)[NH+](C)C ZINC000685921210 565131246 /nfs/dbraw/zinc/13/12/46/565131246.db2.gz OHGDSBUKRAIIQE-WBMJQRKESA-N 1 0 379.302 2.955 20 0 GFADRO COC[C@H](CC1CCOCC1)[NH2+]CCNC(=O)c1ccc(Br)cc1 ZINC000657846515 565133351 /nfs/dbraw/zinc/13/33/51/565133351.db2.gz YXSZHIQREFXAFH-KRWDZBQOSA-N 1 0 399.329 2.600 20 0 GFADRO CSc1cc(Cl)ccc1NC(=O)C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000657858004 565133696 /nfs/dbraw/zinc/13/36/96/565133696.db2.gz FGYOFUNYQWOJRS-IUODEOHRSA-N 1 0 381.929 2.943 20 0 GFADRO C[C@@H](Cn1cncn1)[NH2+]CC1(c2cccc(Br)c2)CCOCC1 ZINC000657851862 565133781 /nfs/dbraw/zinc/13/37/81/565133781.db2.gz IFINGTAJKISKRZ-AWEZNQCLSA-N 1 0 379.302 2.767 20 0 GFADRO COc1ccc(Br)c(C(=O)NCCC[NH2+][C@@H]2COC3(CCC3)C2)c1 ZINC000657875725 565135127 /nfs/dbraw/zinc/13/51/27/565135127.db2.gz HZDQPHXDHBVKCA-ZDUSSCGKSA-N 1 0 397.313 2.879 20 0 GFADRO O=S(=O)(c1ccc(CC[NH2+][C@H]2COC3(CCC3)C2)s1)N1CCCCC1 ZINC000657893111 565136339 /nfs/dbraw/zinc/13/63/39/565136339.db2.gz PLGAFQFOAGAJFX-OAHLLOKOSA-N 1 0 384.567 2.766 20 0 GFADRO CC[NH+](CC)CCN(CC(C)C)S(=O)(=O)c1c(F)cc(OC)cc1F ZINC000588678731 565136964 /nfs/dbraw/zinc/13/69/64/565136964.db2.gz UHMMQFUVPFCNRC-UHFFFAOYSA-N 1 0 378.485 2.962 20 0 GFADRO C[N@H+](CCNS(=O)(=O)c1cc2c(cc1Cl)OCCO2)C1CCCCC1 ZINC000588681271 565137417 /nfs/dbraw/zinc/13/74/17/565137417.db2.gz GHJNCTOGLBEHNV-UHFFFAOYSA-N 1 0 388.917 2.654 20 0 GFADRO CC[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000657932284 565138553 /nfs/dbraw/zinc/13/85/53/565138553.db2.gz LAPRXBDZRGPPMP-GDBMZVCRSA-N 1 0 378.460 2.898 20 0 GFADRO CC[C@H](Cc1ccc(Br)cc1)[NH2+]C[C@H]1CC[C@H](C(=O)N(C)C)O1 ZINC000657939265 565138581 /nfs/dbraw/zinc/13/85/81/565138581.db2.gz WYFFDXXIAINWHV-BRWVUGGUSA-N 1 0 383.330 2.996 20 0 GFADRO CCCC[N@H+](C)C[C@@H](C)NC(=O)C(=O)Nc1cccc(Br)c1F ZINC000657959018 565140902 /nfs/dbraw/zinc/14/09/02/565140902.db2.gz DCVLIEYGZWDKNF-LLVKDONJSA-N 1 0 388.281 2.763 20 0 GFADRO COCC[N@H+](C)CCNC(=O)CSc1ccc(Br)cc1C ZINC000588934992 565145667 /nfs/dbraw/zinc/14/56/67/565145667.db2.gz ZNKMFAWAJVYAQS-UHFFFAOYSA-N 1 0 375.332 2.544 20 0 GFADRO O=S(=O)(NCC[NH2+]C1CC(CF)(CF)C1)c1cccc(Cl)c1Cl ZINC000658010451 565146041 /nfs/dbraw/zinc/14/60/41/565146041.db2.gz KODAYKOBWGATGV-UHFFFAOYSA-N 1 0 387.279 2.949 20 0 GFADRO CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](Oc2cncc(Br)c2)C1 ZINC000615128182 565147524 /nfs/dbraw/zinc/14/75/24/565147524.db2.gz VPBGQHYLUSJJME-ZBFHGGJFSA-N 1 0 382.302 2.698 20 0 GFADRO Cn1ccnc1[C@@H]([NH2+]CCC1(CS(C)(=O)=O)CC1)c1ccc(Cl)cc1 ZINC000658080377 565149084 /nfs/dbraw/zinc/14/90/84/565149084.db2.gz YWKOZFLWDJRWIW-INIZCTEOSA-N 1 0 381.929 2.967 20 0 GFADRO C[C@H](Cc1ccccc1F)[NH2+]CCNC(=O)c1ccc(Br)cn1 ZINC000658091511 565149629 /nfs/dbraw/zinc/14/96/29/565149629.db2.gz FQKSZXBBSHWTHU-GFCCVEGCSA-N 1 0 380.261 2.934 20 0 GFADRO Cc1ccc(Br)c(NC(=O)C(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)c1 ZINC000658123850 565151679 /nfs/dbraw/zinc/15/16/79/565151679.db2.gz BDIXMHDMSNJOHZ-LBPRGKRZSA-N 1 0 382.302 2.685 20 0 GFADRO Cc1cccc(NC(=O)C(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)c1Br ZINC000658123934 565151865 /nfs/dbraw/zinc/15/18/65/565151865.db2.gz CDXCMVPKVAPQAN-GFCCVEGCSA-N 1 0 382.302 2.685 20 0 GFADRO CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+]CCO[C@@H]2CC2(F)F)cc1 ZINC000658165524 565154099 /nfs/dbraw/zinc/15/40/99/565154099.db2.gz KWMLYHBXFATDCU-XJKSGUPXSA-N 1 0 376.469 2.792 20 0 GFADRO C[C@H](Oc1ccc(Br)cc1)C(=O)N1CCOC[C@@H]1[C@H]1CCC[N@@H+]1C ZINC000615265696 565154279 /nfs/dbraw/zinc/15/42/79/565154279.db2.gz JPYIAZXUWLUHJC-IAOVAPTHSA-N 1 0 397.313 2.538 20 0 GFADRO Cc1ccc(Br)cc1CC(=O)N1CCOC[C@@H]1[C@H]1CCC[N@H+]1C ZINC000615275686 565154883 /nfs/dbraw/zinc/15/48/83/565154883.db2.gz NKCCRKWCELTAIM-IAGOWNOFSA-N 1 0 381.314 2.622 20 0 GFADRO CCn1c(SCC(=O)N2CC[C@H]([NH+](C)C)[C@@H]2C)nnc1-c1cccs1 ZINC000615309936 565157452 /nfs/dbraw/zinc/15/74/52/565157452.db2.gz BPYWRMAOIXVXQG-STQMWFEESA-N 1 0 379.555 2.670 20 0 GFADRO CN(Cc1cn(C)nn1)C(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000637472122 565158460 /nfs/dbraw/zinc/15/84/60/565158460.db2.gz FDZGCZSKBKTPFY-OAHLLOKOSA-N 1 0 385.299 2.566 20 0 GFADRO C[NH+](C)C[C@H](NC(=O)NCCCc1nnc[nH]1)c1ccc(Cl)c(Cl)c1 ZINC000637474514 565159329 /nfs/dbraw/zinc/15/93/29/565159329.db2.gz OZRUHZVZLWSMIV-AWEZNQCLSA-N 1 0 385.299 2.646 20 0 GFADRO C[C@H]1CC(=O)NCCN1C(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000637471992 565159373 /nfs/dbraw/zinc/15/93/73/565159373.db2.gz CRVVLIJMVAYQKO-NHYWBVRUSA-N 1 0 387.311 2.516 20 0 GFADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@H](O)[C@@H](C)c1ccccc1 ZINC000658340608 565159999 /nfs/dbraw/zinc/15/99/99/565159999.db2.gz PGFPHJOFGRDTFO-KEYYUXOJSA-N 1 0 379.298 2.754 20 0 GFADRO C[C@@H]([NH2+]CC1(O)CCC(F)(F)CC1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000658323584 565160383 /nfs/dbraw/zinc/16/03/83/565160383.db2.gz SPQYRNAGOQMSEP-CYBMUJFWSA-N 1 0 376.469 2.528 20 0 GFADRO CCN(C(=O)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[C@@H]1CC[N@H+](C)C1 ZINC000658358064 565161335 /nfs/dbraw/zinc/16/13/35/565161335.db2.gz XZIXYNNRQMYNDE-LLVKDONJSA-N 1 0 377.794 2.850 20 0 GFADRO CCN(C(=O)C(=O)Nc1cc(Cl)ccc1C(F)(F)F)[C@@H]1CC[N@H+](C)C1 ZINC000658360345 565161967 /nfs/dbraw/zinc/16/19/67/565161967.db2.gz GXPXGNDJFLULEL-LLVKDONJSA-N 1 0 377.794 2.850 20 0 GFADRO CCN(C(=O)C(=O)Nc1nc(-c2ccc(C)s2)cs1)[C@H]1CC[N@H+](C)C1 ZINC000658359485 565161971 /nfs/dbraw/zinc/16/19/71/565161971.db2.gz BNMGOKFWQNVEGQ-LBPRGKRZSA-N 1 0 378.523 2.671 20 0 GFADRO CCCN([C@@H]1CC[NH2+]C1)S(=O)(=O)c1cc(Cl)cc(Br)c1 ZINC000658367693 565162471 /nfs/dbraw/zinc/16/24/71/565162471.db2.gz PTCFBVZEOHHAPF-GFCCVEGCSA-N 1 0 381.723 2.865 20 0 GFADRO [NH3+]C[C@@H]1CCCC[C@H]1NS(=O)(=O)Cc1cc(F)ccc1Br ZINC000658370355 565162521 /nfs/dbraw/zinc/16/25/21/565162521.db2.gz RTNXQCRPYLUSOR-IINYFYTJSA-N 1 0 379.295 2.525 20 0 GFADRO [NH3+]C[C@H]1CCCC[C@@H]1NS(=O)(=O)Cc1cc(F)ccc1Br ZINC000658370358 565162622 /nfs/dbraw/zinc/16/26/22/565162622.db2.gz RTNXQCRPYLUSOR-YGRLFVJLSA-N 1 0 379.295 2.525 20 0 GFADRO Cc1c(C(=O)N2CC(C[NH+](C)C)C2)cnn1-c1cccc(Br)c1 ZINC000615510207 565164315 /nfs/dbraw/zinc/16/43/15/565164315.db2.gz DBPKIBOTNIEMFG-UHFFFAOYSA-N 1 0 377.286 2.577 20 0 GFADRO CCCOc1ccc(Br)cc1S(=O)(=O)N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000658377493 565164682 /nfs/dbraw/zinc/16/46/82/565164682.db2.gz GVXWOWSMCJNGES-WCQYABFASA-N 1 0 391.331 2.657 20 0 GFADRO [NH3+][C@@H]1CN(S(=O)(=O)Cc2cc(F)ccc2Cl)C[C@H]1c1ccccc1F ZINC000658382086 565165906 /nfs/dbraw/zinc/16/59/06/565165906.db2.gz CDLOFYWTFHGEMZ-WMLDXEAASA-N 1 0 386.851 2.875 20 0 GFADRO CN(CC[NH3+])S(=O)(=O)c1ccc(OCc2ccccc2)c(Br)c1 ZINC000658382331 565165962 /nfs/dbraw/zinc/16/59/62/565165962.db2.gz BUCUOUMXPPTUHH-UHFFFAOYSA-N 1 0 399.310 2.607 20 0 GFADRO CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2NS(=O)(=O)c2sccc2C)cc1 ZINC000658391868 565166855 /nfs/dbraw/zinc/16/68/55/565166855.db2.gz IPVZTMRFLOQCHQ-IRXDYDNUSA-N 1 0 380.535 2.879 20 0 GFADRO C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C1(c3cncc(Br)c3)CC1)C2 ZINC000615600565 565167372 /nfs/dbraw/zinc/16/73/72/565167372.db2.gz CVKKGCPVLMFIQF-QGZVFWFLSA-N 1 0 378.314 2.820 20 0 GFADRO Cc1c(Br)cccc1CS(=O)(=O)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000658403068 565167888 /nfs/dbraw/zinc/16/78/88/565167888.db2.gz ZDRGKWLBJQXUSR-AWEZNQCLSA-N 1 0 387.343 2.852 20 0 GFADRO [NH3+][C@@H]1CN(S(=O)(=O)c2cc(Cl)ccc2OCC2CCC2)CC[C@H]1F ZINC000658408387 565168418 /nfs/dbraw/zinc/16/84/18/565168418.db2.gz QTQGXAMBNLQFDU-ZIAGYGMSSA-N 1 0 376.881 2.579 20 0 GFADRO O=C(Cc1c(Cl)cccc1Br)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000615659505 565168989 /nfs/dbraw/zinc/16/89/89/565168989.db2.gz MRDVLOGCLXVKAD-GFCCVEGCSA-N 1 0 389.721 2.608 20 0 GFADRO C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1n[nH]c3ccc(Br)cc31)C2 ZINC000615616911 565169264 /nfs/dbraw/zinc/16/92/64/565169264.db2.gz QSCIIGAPTMSHCX-KRWDZBQOSA-N 1 0 377.286 2.883 20 0 GFADRO C[C@@H](CCNC(=O)C(=O)Nc1cc(Cl)ccc1OC(F)(F)F)[NH+](C)C ZINC000658426534 565169454 /nfs/dbraw/zinc/16/94/54/565169454.db2.gz HJUXOMWKHGDEPL-VIFPVBQESA-N 1 0 381.782 2.634 20 0 GFADRO O=C(NC[C@@H]1CCC[NH2+]1)N1CCc2[nH]c3ccc(Br)cc3c2C1 ZINC000637734670 565170854 /nfs/dbraw/zinc/17/08/54/565170854.db2.gz XZXAENITHCDFKZ-LBPRGKRZSA-N 1 0 377.286 2.750 20 0 GFADRO CCSc1ccc(CC(=O)N2CCO[C@@H]([C@@H](C)[NH3+])C2)c(Br)c1 ZINC000637866730 565174224 /nfs/dbraw/zinc/17/42/24/565174224.db2.gz PIFOZBHYOJCWBD-IAQYHMDHSA-N 1 0 387.343 2.678 20 0 GFADRO CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)[C@]1(C)C[C@@H](OC)C[NH2+]1 ZINC000637897373 565175791 /nfs/dbraw/zinc/17/57/91/565175791.db2.gz GNIBNFDILJJBOD-DIFFPNOSSA-N 1 0 388.295 2.547 20 0 GFADRO CC(=O)NCc1ccc(-c2nc(NC(=O)C3=CC[C@H]([NH3+])C3)sc2C)s1 ZINC000637932090 565177583 /nfs/dbraw/zinc/17/75/83/565177583.db2.gz MPLPIWTZZXOTJO-LBPRGKRZSA-N 1 0 376.507 2.802 20 0 GFADRO C[C@@H](NC(=O)C1=CC[C@@H]([NH3+])C1)c1nc(-c2ccc(Br)cc2)no1 ZINC000638046035 565181263 /nfs/dbraw/zinc/18/12/63/565181263.db2.gz XOGWLUYFBMGVMS-NOZJJQNGSA-N 1 0 377.242 2.724 20 0 GFADRO Cn1cc(Br)c(C(=O)N(c2ccccc2)C2CC[NH+](C)CC2)n1 ZINC000658707619 565183990 /nfs/dbraw/zinc/18/39/90/565183990.db2.gz CPMGASBGTUVUFK-UHFFFAOYSA-N 1 0 377.286 2.924 20 0 GFADRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)c2cc3c(cccc3Cl)s2)C1 ZINC000590317507 565184135 /nfs/dbraw/zinc/18/41/35/565184135.db2.gz TWWVISUFBAALPY-LBPRGKRZSA-N 1 0 379.913 2.872 20 0 GFADRO CC[C@@H]1CN(C(C)=O)[C@H](CC)CN1Cc1cnn2cc(Br)cnc12 ZINC000638121467 565185191 /nfs/dbraw/zinc/18/51/91/565185191.db2.gz LOFDRPZXYQEJON-HZPDHXFCSA-N 1 0 394.317 2.713 20 0 GFADRO O=C(c1ccc2cncc(Br)c2n1)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000638141994 565185713 /nfs/dbraw/zinc/18/57/13/565185713.db2.gz ADIWUUUWPJBLAH-HIFRSBDPSA-N 1 0 389.297 2.997 20 0 GFADRO CC[N@@H+]1CC[C@H]2OCCN(Cc3cccc(I)c3)[C@H]2C1 ZINC000590373045 565186087 /nfs/dbraw/zinc/18/60/87/565186087.db2.gz FMFNNXYWLXFMHL-JKSUJKDBSA-N 1 0 386.277 2.586 20 0 GFADRO NS(=O)(=O)c1ccc(CN2CCC[C@@H](c3nc4c(s3)CCCC4)C2)o1 ZINC000638148815 565186482 /nfs/dbraw/zinc/18/64/82/565186482.db2.gz CSCGGNCODOKWQH-GFCCVEGCSA-N 1 0 381.523 2.642 20 0 GFADRO NS(=O)(=O)c1ccc(CN2CC[C@@H](OCCCc3ccccc3)C2)s1 ZINC000638150563 565186531 /nfs/dbraw/zinc/18/65/31/565186531.db2.gz QYBRPHRUWRXTAL-MRXNPFEDSA-N 1 0 380.535 2.619 20 0 GFADRO O=C(c1cccc2c(Br)cccc12)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000638227215 565188961 /nfs/dbraw/zinc/18/89/61/565188961.db2.gz NYTXPKMVGCUFRI-CQSZACIVSA-N 1 0 388.309 2.722 20 0 GFADRO COCC1(CNC(=O)c2ccc(OC(F)(F)F)c(Cl)c2)CC[NH2+]CC1 ZINC000638224211 565188996 /nfs/dbraw/zinc/18/89/96/565188996.db2.gz GEXMWIGWOLZIMP-UHFFFAOYSA-N 1 0 380.794 2.985 20 0 GFADRO O=C([C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000638235632 565189000 /nfs/dbraw/zinc/18/90/00/565189000.db2.gz YDBKOTQMCKBWAG-XZKMEQPCSA-N 1 0 375.310 2.937 20 0 GFADRO O=C(c1cccc2c(Br)cccc12)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000638227210 565189183 /nfs/dbraw/zinc/18/91/83/565189183.db2.gz NYTXPKMVGCUFRI-AWEZNQCLSA-N 1 0 388.309 2.722 20 0 GFADRO Cc1cc(I)cc(C(=O)N2CC[C@@H]3C[N@@H+](C)C[C@@H]32)c1C ZINC000590446904 565189326 /nfs/dbraw/zinc/18/93/26/565189326.db2.gz XBVWIARLDZZVJG-DOMZBBRYSA-N 1 0 384.261 2.684 20 0 GFADRO O=C([C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21)N1CCC2(CC[NH2+]C2)CC1 ZINC000638247019 565190080 /nfs/dbraw/zinc/19/00/80/565190080.db2.gz NAFXOYBYQAWPRQ-HYVNUMGLSA-N 1 0 375.310 2.937 20 0 GFADRO O=C(NCCCC[NH+]1CCOCC1)c1c[nH]c2ccc(Br)cc21 ZINC000590498828 565190127 /nfs/dbraw/zinc/19/01/27/565190127.db2.gz PHQVXCIFFFWLBE-UHFFFAOYSA-N 1 0 380.286 2.773 20 0 GFADRO Cc1nc(-c2cc3c(s2)CCN(C(=O)[C@@]2(C[NH3+])CCCOC2)C3)cs1 ZINC000638311936 565191131 /nfs/dbraw/zinc/19/11/31/565191131.db2.gz PBOAZQVRWUYXRF-GOSISDBHSA-N 1 0 377.535 2.820 20 0 GFADRO Nc1c(Cl)cc(Cl)cc1C[NH2+]CCCN1C(=O)NC2(CCCC2)C1=O ZINC000638309539 565191423 /nfs/dbraw/zinc/19/14/23/565191423.db2.gz ZNZVDTOUTDJEGT-UHFFFAOYSA-N 1 0 385.295 2.920 20 0 GFADRO Cc1cc(Br)c(F)c(C(=O)NC2CCC(N3CC[NH2+]CC3)CC2)c1 ZINC000638336835 565192299 /nfs/dbraw/zinc/19/22/99/565192299.db2.gz YXUYNTJNQUVQAR-UHFFFAOYSA-N 1 0 398.320 2.843 20 0 GFADRO CC(C)Cc1ncnc(N2CC[C@@H]([NH+](C)C)[C@@H]2C)c1I ZINC000590568400 565192752 /nfs/dbraw/zinc/19/27/52/565192752.db2.gz DGCIJHADIRCMFN-WCQYABFASA-N 1 0 388.297 2.809 20 0 GFADRO CC(C)Cc1ncnc(N2CC[C@@H]([NH+](C)C)[C@H]2C)c1I ZINC000590568397 565192911 /nfs/dbraw/zinc/19/29/11/565192911.db2.gz DGCIJHADIRCMFN-DGCLKSJQSA-N 1 0 388.297 2.809 20 0 GFADRO O=C(c1cc(Br)c2nccn2c1)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000638401474 565194754 /nfs/dbraw/zinc/19/47/54/565194754.db2.gz ULXJNCYYPAFYIU-CQSZACIVSA-N 1 0 391.313 2.949 20 0 GFADRO CO[C@H](C[NH2+]C[C@@H](O)COc1cccc(Cl)c1Cl)C1CCOCC1 ZINC000638424950 565196395 /nfs/dbraw/zinc/19/63/95/565196395.db2.gz CWBMCQKDAQGTCR-CZUORRHYSA-N 1 0 378.296 2.764 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)C[NH2+][C@H](C)C[C@@H]1CCCC(=O)N1 ZINC000638444613 565196761 /nfs/dbraw/zinc/19/67/61/565196761.db2.gz HIOZNOPWOANZQA-OCCSQVGLSA-N 1 0 382.302 2.733 20 0 GFADRO O=C(NC[C@H]1C[NH2+]CCO1)Nc1nnc(-c2cc(Cl)cc(Cl)c2)s1 ZINC000659031951 565199017 /nfs/dbraw/zinc/19/90/17/565199017.db2.gz YFOKKPXNQTWHAX-LLVKDONJSA-N 1 0 388.280 2.622 20 0 GFADRO CN1CC[C@H]([NH2+]C[C@H](O)COCC2CC2)C[C@@H]1c1ccc(Br)cc1 ZINC000638495015 565199142 /nfs/dbraw/zinc/19/91/42/565199142.db2.gz CQOZOUCYLMNNGB-GBESFXJTSA-N 1 0 397.357 2.962 20 0 GFADRO CSc1c(F)cccc1NC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000659026295 565199712 /nfs/dbraw/zinc/19/97/12/565199712.db2.gz KAQDRBDLKMPEBA-GFCCVEGCSA-N 1 0 380.411 2.505 20 0 GFADRO CCOC1CC(C[NH2+]CCCNC(=O)c2cc(OC)ccc2Br)C1 ZINC000638523888 565200530 /nfs/dbraw/zinc/20/05/30/565200530.db2.gz JPOVOOHGYBLGTD-UHFFFAOYSA-N 1 0 399.329 2.982 20 0 GFADRO CCN(CC[NH3+])C(=O)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000638522959 565200814 /nfs/dbraw/zinc/20/08/14/565200814.db2.gz ZYUOZNJKWACBJX-UHFFFAOYSA-N 1 0 378.826 2.777 20 0 GFADRO CN(CC(C)(C)[NH3+])C(=O)C(=O)Nc1ncc(Cc2ccccc2Cl)s1 ZINC000659089213 565201281 /nfs/dbraw/zinc/20/12/81/565201281.db2.gz BQSMTJYXZASINT-UHFFFAOYSA-N 1 0 380.901 2.522 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)[C@H](C[C@@H]2CCCO2)C(F)(F)F)CC[C@H]1C(F)(F)F ZINC000638558163 565201345 /nfs/dbraw/zinc/20/13/45/565201345.db2.gz OAYCEZGOOFUFLL-KXNHARMFSA-N 1 0 376.341 2.720 20 0 GFADRO Cc1cc(Br)c(Cl)cc1NC(=O)C(=O)N[C@H](C)CCC[NH3+] ZINC000659087890 565201704 /nfs/dbraw/zinc/20/17/04/565201704.db2.gz WUAFAAYOOLBKHW-SECBINFHSA-N 1 0 376.682 2.593 20 0 GFADRO Cc1cc(Br)c(Cl)cc1NC(=O)C(=O)N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000659086439 565201952 /nfs/dbraw/zinc/20/19/52/565201952.db2.gz WJJQXFHARCPWLG-VHSXEESVSA-N 1 0 388.693 2.606 20 0 GFADRO O=C(C[C@H]1COCC[NH2+]1)N[C@H]1CCCSc2ccc(Br)cc21 ZINC000638586432 565202705 /nfs/dbraw/zinc/20/27/05/565202705.db2.gz SSFHUFKUELLURD-JSGCOSHPSA-N 1 0 385.327 2.871 20 0 GFADRO C[NH2+]CCOCCNC(=O)c1ccc(COc2ccc(Br)cc2)o1 ZINC000638581883 565203181 /nfs/dbraw/zinc/20/31/81/565203181.db2.gz POVSNPSBYWNESV-UHFFFAOYSA-N 1 0 397.269 2.587 20 0 GFADRO C[NH2+]CCOCCN(C)C(=O)c1cc(C)n(-c2ccc(Cl)c(Cl)c2)n1 ZINC000638592695 565204635 /nfs/dbraw/zinc/20/46/35/565204635.db2.gz YNRGPYTZQJXZPS-UHFFFAOYSA-N 1 0 385.295 2.796 20 0 GFADRO [NH3+]CCCOCCNC(=O)c1ccc(COc2ccc(Br)cc2)o1 ZINC000638657567 565206075 /nfs/dbraw/zinc/20/60/75/565206075.db2.gz MICKGNIBXQWDSU-UHFFFAOYSA-N 1 0 397.269 2.716 20 0 GFADRO CN1CC[C@H]([NH2+]C[C@@]2(CCO)CCOC2)C[C@H]1c1ccc(Br)cc1 ZINC000638745959 565209353 /nfs/dbraw/zinc/20/93/53/565209353.db2.gz BVHOHCZXTNUAOS-GBESFXJTSA-N 1 0 397.357 2.963 20 0 GFADRO CC(C)OC[C@H]([NH3+])C(=O)Nc1ccc(CCn2cc(Br)cn2)cc1 ZINC000659280341 565210249 /nfs/dbraw/zinc/21/02/49/565210249.db2.gz SAXRBNLGPXBGEQ-INIZCTEOSA-N 1 0 395.301 2.579 20 0 GFADRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000638770309 565210560 /nfs/dbraw/zinc/21/05/60/565210560.db2.gz ABWQKQJLOQLTLG-NORZTCDRSA-N 1 0 384.307 2.712 20 0 GFADRO COC[C@@]1(CNC(=O)c2cc(Br)cc(N3CCCC3)c2)CCC[NH2+]1 ZINC000659305853 565211788 /nfs/dbraw/zinc/21/17/88/565211788.db2.gz ABJMUUYMTLCRIE-SFHVURJKSA-N 1 0 396.329 2.548 20 0 GFADRO CN(C[C@H](O)COc1cc(Cl)cc(Cl)c1)C(=O)[C@H]1CCC[NH2+]CC1 ZINC000638828562 565212673 /nfs/dbraw/zinc/21/26/73/565212673.db2.gz VNOTVPWLUOOJFH-WFASDCNBSA-N 1 0 375.296 2.581 20 0 GFADRO [NH3+][C@@H]1CCCCCN(C(=O)Cc2csc(NC(=O)c3cccs3)n2)C1 ZINC000638817589 565212888 /nfs/dbraw/zinc/21/28/88/565212888.db2.gz NPKQIHPJGGLPMA-GFCCVEGCSA-N 1 0 378.523 2.729 20 0 GFADRO O=C(N[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000638809920 565213259 /nfs/dbraw/zinc/21/32/59/565213259.db2.gz DVRFMQZSABQICL-IPYPFGDCSA-N 1 0 380.769 2.967 20 0 GFADRO CC(=O)N[C@@H](CC(=O)N1CCCCC[C@H]([NH3+])C1)c1ccc(Br)cc1 ZINC000638836870 565214126 /nfs/dbraw/zinc/21/41/26/565214126.db2.gz VCQBXARZJHQWHF-IRXDYDNUSA-N 1 0 396.329 2.746 20 0 GFADRO COc1cc(C(F)(F)F)ncc1NC(=O)N1C[C@@H](SC)[C@@H]([NH+](C)C)C1 ZINC000616900285 565216070 /nfs/dbraw/zinc/21/60/70/565216070.db2.gz USKAPGXYXDWPLK-CMPLNLGQSA-N 1 0 378.420 2.618 20 0 GFADRO CC[N@@H+]1CCCC[C@@H]1C(=O)NCc1cc(Br)c2c(c1)OCCO2 ZINC000591162741 565217432 /nfs/dbraw/zinc/21/74/32/565217432.db2.gz IWUUQVLHSFRPPS-CQSZACIVSA-N 1 0 383.286 2.711 20 0 GFADRO CC(C)[C@H]([NH3+])CCNC(=O)N[C@@H]1CCN(c2ccccc2Br)C1 ZINC000659453709 565218170 /nfs/dbraw/zinc/21/81/70/565218170.db2.gz OTWLRCTXAIQGJR-UKRRQHHQSA-N 1 0 383.334 2.700 20 0 GFADRO [NH3+][C@@H]1CN(C(=O)NCC2(c3cccc(Br)c3)CCC2)CC[C@H]1F ZINC000659441359 565218412 /nfs/dbraw/zinc/21/84/12/565218412.db2.gz RMDYFNXYFNKAGY-HUUCEWRRSA-N 1 0 384.293 2.952 20 0 GFADRO [NH3+]C1CCC(NC(=O)N2CCOC[C@@H]2c2ccc(Br)cc2)CC1 ZINC000659519551 565218882 /nfs/dbraw/zinc/21/88/82/565218882.db2.gz RWVRNOBUOFGPGA-UYSNPLJNSA-N 1 0 382.302 2.802 20 0 GFADRO O=C(N[C@@H]1[C@H]2Cc3cc(Br)ccc3[C@@H]12)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000638942417 565219006 /nfs/dbraw/zinc/21/90/06/565219006.db2.gz HNDHRACAVONGFU-KYEXWDHISA-N 1 0 389.215 2.745 20 0 GFADRO [NH3+][C@H](C(=O)NCc1ccnc(N2CCSCC2)c1)c1cccc(Cl)c1 ZINC000638991003 565219678 /nfs/dbraw/zinc/21/96/78/565219678.db2.gz SUFXURKDRWILFG-KRWDZBQOSA-N 1 0 376.913 2.604 20 0 GFADRO C[C@H]([NH2+]C[C@@H]1CCCNC1=O)c1ccc(F)c(I)c1 ZINC000591244726 565220186 /nfs/dbraw/zinc/22/01/86/565220186.db2.gz DLAJWTFYVBLUAJ-ONGXEEELSA-N 1 0 376.213 2.607 20 0 GFADRO C[C@H](CNC(=O)[C@H]([NH3+])c1cccc(Cl)c1)c1ccc(S(C)(=O)=O)cc1 ZINC000639017979 565220830 /nfs/dbraw/zinc/22/08/30/565220830.db2.gz RMAUBMUNZMFHTB-SJKOYZFVSA-N 1 0 380.897 2.663 20 0 GFADRO COc1ccc(I)c(NC(=O)N[C@@H]2CCC[NH2+]CC2)c1 ZINC000591282608 565220854 /nfs/dbraw/zinc/22/08/54/565220854.db2.gz FLHVWKLMCZJERV-SNVBAGLBSA-N 1 0 389.237 2.563 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CN(C(=O)N[C@H]2CCCCc3cc(Br)ccc32)CCO1 ZINC000659628517 565220959 /nfs/dbraw/zinc/22/09/59/565220959.db2.gz QLMLAWSEXGUKIE-ZLIFDBKOSA-N 1 0 396.329 2.974 20 0 GFADRO COC(=O)c1cc(NC(=O)N2C[C@@H](C)[NH2+]C[C@@H]2C)c(Br)cc1F ZINC000591287241 565221152 /nfs/dbraw/zinc/22/11/52/565221152.db2.gz GPBNKOYISNSSBA-BDAKNGLRSA-N 1 0 388.237 2.589 20 0 GFADRO O=C(NCC12CC(C1)C[NH2+]2)N1CC[C@@H](Cc2ccc(Br)cc2)C1 ZINC000659614250 565221533 /nfs/dbraw/zinc/22/15/33/565221533.db2.gz ZDASIJNWEKQNNP-SYJJWHGVSA-N 1 0 378.314 2.775 20 0 GFADRO C[C@H](NC(=O)C(=O)NCC1([NH3+])CCCC1)c1cc(F)c(Cl)cc1Cl ZINC000659675425 565222734 /nfs/dbraw/zinc/22/27/34/565222734.db2.gz UIZXEYXLYUWZJI-VIFPVBQESA-N 1 0 376.259 2.697 20 0 GFADRO CC[C@H]1CN(C(=O)Nc2cccc(C(=O)OC)c2Br)CC[C@@H]1[NH3+] ZINC000591302004 565222833 /nfs/dbraw/zinc/22/28/33/565222833.db2.gz LBZMWWQIBKMBHI-JQWIXIFHSA-N 1 0 384.274 2.827 20 0 GFADRO CCOC(=O)c1c(NC(=O)NC[C@@H]2CCCC[NH2+]2)sc2c1CCSC2 ZINC000591292477 565222889 /nfs/dbraw/zinc/22/28/89/565222889.db2.gz SNWDXBQIHWLVQA-NSHDSACASA-N 1 0 383.539 2.978 20 0 GFADRO COCCN(CC[NH+](C)C)C(=O)Cn1c(C)c(Br)c2ccccc21 ZINC000591302082 565223074 /nfs/dbraw/zinc/22/30/74/565223074.db2.gz DAHIZBSMLHGGOO-UHFFFAOYSA-N 1 0 396.329 2.749 20 0 GFADRO Cc1cc(I)cc(NC(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000591306832 565223470 /nfs/dbraw/zinc/22/34/70/565223470.db2.gz NMLGJHIGKVVVKO-ZLKJLUDKSA-N 1 0 385.249 2.801 20 0 GFADRO C[C@H](C[C@@H]1CCCC(=O)N1)[NH2+]C[C@H](CO)Cc1cccc(Br)c1 ZINC000639105142 565226081 /nfs/dbraw/zinc/22/60/81/565226081.db2.gz NQNLIUHAGQITNN-UNEWFSDZSA-N 1 0 383.330 2.637 20 0 GFADRO CNS(=O)(=O)c1ccc(C[N@H+](C)Cc2ccc(SC)c(OC)c2)cc1 ZINC000659860703 565226349 /nfs/dbraw/zinc/22/63/49/565226349.db2.gz BZZFUVBGKFMJDB-UHFFFAOYSA-N 1 0 380.535 2.957 20 0 GFADRO C[N@H+](CCc1nnn(C(C)(C)C)n1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000659852025 565226767 /nfs/dbraw/zinc/22/67/67/565226767.db2.gz JOIWZMNIJCTGGM-GOEBONIOSA-N 1 0 384.311 2.868 20 0 GFADRO [NH3+]C/C=C\CNC(=O)N1CCC[C@@H]1c1ccccc1I ZINC000591360935 565227141 /nfs/dbraw/zinc/22/71/41/565227141.db2.gz MWEVDDJZJMAXAW-VQTKUKTRSA-N 1 0 385.249 2.653 20 0 GFADRO CC(C)CNC(=O)CCC[N@H+](CCO)Cc1cc(Br)ccc1F ZINC000659876506 565228658 /nfs/dbraw/zinc/22/86/58/565228658.db2.gz ILPQYIKESNAKED-UHFFFAOYSA-N 1 0 389.309 2.935 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCCN(c2ncnc3ccc(I)cc32)C1 ZINC000591428638 565230039 /nfs/dbraw/zinc/23/00/39/565230039.db2.gz YGVUGIQGSZKGOV-WDEREUQCSA-N 1 0 382.249 2.798 20 0 GFADRO C[C@@H]1C[C@H](N(C)CC(=O)c2c[nH]c3ncc(Br)cc23)CC[N@@H+]1C ZINC000659983162 565235888 /nfs/dbraw/zinc/23/58/88/565235888.db2.gz GAPFKSVOZLZPNW-DGCLKSJQSA-N 1 0 379.302 2.923 20 0 GFADRO CC1(C)C[NH2+][C@@H]1C(=O)NCc1cc(Cl)cc(I)c1 ZINC000591687966 565236796 /nfs/dbraw/zinc/23/67/96/565236796.db2.gz VRZUSXWPDGAKRM-LLVKDONJSA-N 1 0 378.641 2.559 20 0 GFADRO COc1ccc(Br)cc1C(=O)CCC(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000617413357 565237111 /nfs/dbraw/zinc/23/71/11/565237111.db2.gz JLAIMZUFQOHXSM-ZDUSSCGKSA-N 1 0 383.286 2.631 20 0 GFADRO CCn1nncc1C[NH2+][C@@H]1CCN(C)[C@@H](c2ccc(Br)cc2)C1 ZINC000639343997 565240935 /nfs/dbraw/zinc/24/09/35/565240935.db2.gz SFHASQTWSPLQIN-NVXWUHKLSA-N 1 0 378.318 2.986 20 0 GFADRO CC(C)n1cc(Br)cc1C(=O)N[C@@H](C)CN(C)CCC[NH+](C)C ZINC000617505665 565242486 /nfs/dbraw/zinc/24/24/86/565242486.db2.gz LZMYOGGACDEETI-AWEZNQCLSA-N 1 0 387.366 2.833 20 0 GFADRO OCCC1(CCO)CC[NH+](Cc2cc3c(cc2Br)OCO3)CC1 ZINC000639395899 565243955 /nfs/dbraw/zinc/24/39/55/565243955.db2.gz PIEFPOVNWGXGBI-UHFFFAOYSA-N 1 0 386.286 2.525 20 0 GFADRO CN1CCc2nc(NC(=O)c3cc(Br)c4nccn4c3)sc2C1 ZINC000639451948 565246543 /nfs/dbraw/zinc/24/65/43/565246543.db2.gz METAHJUDTTUUND-UHFFFAOYSA-N 1 0 392.282 2.794 20 0 GFADRO C[N@@H+]1CCC[C@@H](N2CCN(Cc3ncc(Br)cc3Cl)CC2)C1 ZINC000660075329 565249410 /nfs/dbraw/zinc/24/94/10/565249410.db2.gz XLCHCMALFMYBOG-CQSZACIVSA-N 1 0 387.753 2.709 20 0 GFADRO CC(=O)N1CC[C@H](C[N@H+](C)C[C@H](O)COc2cc(Cl)cc(Cl)c2)C1 ZINC000639548283 565249420 /nfs/dbraw/zinc/24/94/20/565249420.db2.gz YZILYCRDHLEBPW-CJNGLKHVSA-N 1 0 375.296 2.533 20 0 GFADRO CCC[N@H+](C)CC(C)(C)NS(=O)(=O)c1cc2c(cc1Cl)OCCO2 ZINC000660106266 565252654 /nfs/dbraw/zinc/25/26/54/565252654.db2.gz AOKDDCGFGJAGDJ-UHFFFAOYSA-N 1 0 376.906 2.510 20 0 GFADRO COCC[N@@H+]1CCC[C@H](NC(=O)c2cc3c(cc(Br)cc3F)[nH]2)C1 ZINC000592097457 565255345 /nfs/dbraw/zinc/25/53/45/565255345.db2.gz VKNBJEUMKUIRJM-LBPRGKRZSA-N 1 0 398.276 2.910 20 0 GFADRO C[C@H](CCNC(=O)c1nn(-c2ccc(F)cc2)cc1Br)[NH+](C)C ZINC000617753397 565256558 /nfs/dbraw/zinc/25/65/58/565256558.db2.gz BMJILYFRQBFBFA-LLVKDONJSA-N 1 0 383.265 2.844 20 0 GFADRO C[C@H](CCNC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)c(Cl)c1)[NH+](C)C ZINC000617758084 565257194 /nfs/dbraw/zinc/25/71/94/565257194.db2.gz HTVUQOVAPPYHRW-BTJLNZGRSA-N 1 0 386.323 2.969 20 0 GFADRO C[C@@H](CCNC(=O)c1nn(-c2ccc(F)cc2)cc1Br)[NH+](C)C ZINC000617753398 565257539 /nfs/dbraw/zinc/25/75/39/565257539.db2.gz BMJILYFRQBFBFA-NSHDSACASA-N 1 0 383.265 2.844 20 0 GFADRO CNc1cc2c(nn1)CC[N@H+](CCC(=O)Nc1cc(Cl)ccc1Cl)C2 ZINC000592115094 565257793 /nfs/dbraw/zinc/25/77/93/565257793.db2.gz BNJHESVXXFCGNZ-UHFFFAOYSA-N 1 0 380.279 3.212 20 0 GFADRO C[NH+](C)C[C@]1(O)CCCN(Cc2nnc(-c3ccc(Cl)cc3Cl)o2)C1 ZINC000639763306 565258135 /nfs/dbraw/zinc/25/81/35/565258135.db2.gz QJOWURSGDXHRPQ-QGZVFWFLSA-N 1 0 385.295 2.932 20 0 GFADRO CN(CCC[NH+](C)C)CCNC(=O)C(C)(C)c1ccc(Br)cc1 ZINC000617767045 565258559 /nfs/dbraw/zinc/25/85/59/565258559.db2.gz DKJMIPXNHCMJDY-UHFFFAOYSA-N 1 0 384.362 2.726 20 0 GFADRO Cc1sc(Br)c(C(=O)NCCN(C)CCC[NH+](C)C)c1C ZINC000617764392 565258591 /nfs/dbraw/zinc/25/85/91/565258591.db2.gz VCGRIEPDDSXPSD-UHFFFAOYSA-N 1 0 376.364 2.741 20 0 GFADRO C[C@H](Cc1ccc(Br)cc1)C(=O)NCCN(C)CCC[NH+](C)C ZINC000617765932 565258618 /nfs/dbraw/zinc/25/86/18/565258618.db2.gz WKAUAQQILWDYQK-OAHLLOKOSA-N 1 0 384.362 2.627 20 0 GFADRO C[NH+](C)C[C@@]1(O)CCCN(CC(=O)Nc2c(Cl)cc(Cl)cc2Cl)C1 ZINC000639761604 565258719 /nfs/dbraw/zinc/25/87/19/565258719.db2.gz NRWSAYUPJSFHMU-INIZCTEOSA-N 1 0 394.730 2.974 20 0 GFADRO C[NH+](C)C[C@@H]1COC2(CCCC2)CN1S(=O)(=O)c1c(F)cccc1Cl ZINC000660149113 565259609 /nfs/dbraw/zinc/25/96/09/565259609.db2.gz ADLRDBVGKKUYKB-CYBMUJFWSA-N 1 0 390.908 2.743 20 0 GFADRO Cn1ccnc1[C@H]([NH2+]CCOc1cccc(Br)c1)C(C)(C)CO ZINC000639774106 565259669 /nfs/dbraw/zinc/25/96/69/565259669.db2.gz JQQTWYZTAPEAKA-HNNXBMFYSA-N 1 0 382.302 2.911 20 0 GFADRO Cn1ccnc1[C@H]([NH2+]CCOc1ccc(Br)cc1)C(C)(C)CO ZINC000639774248 565260045 /nfs/dbraw/zinc/26/00/45/565260045.db2.gz TUEDFBRARREFHR-HNNXBMFYSA-N 1 0 382.302 2.911 20 0 GFADRO C[NH+](C)C[C@@H]1COC2(CCCC2)CN1S(=O)(=O)c1ccc(Cl)c(F)c1 ZINC000660150573 565260792 /nfs/dbraw/zinc/26/07/92/565260792.db2.gz JSOQHFMVYUNNOC-CYBMUJFWSA-N 1 0 390.908 2.743 20 0 GFADRO COCc1cc(Cl)cc(S(=O)(=O)NCC2CC[NH+](CC3CC3)CC2)c1 ZINC000660151590 565260906 /nfs/dbraw/zinc/26/09/06/565260906.db2.gz GWRLSGMEBZGRJX-UHFFFAOYSA-N 1 0 386.945 2.887 20 0 GFADRO CCOC(=O)c1cc(C)sc1NC(=O)C[NH2+][C@@H]1C[C@@H](OCC)[C@H]1SC ZINC000592173600 565262435 /nfs/dbraw/zinc/26/24/35/565262435.db2.gz XYYZVWTVCIMWDL-NFAWXSAZSA-N 1 0 386.539 2.670 20 0 GFADRO C[N@H+](CC(=O)N[C@@]1(Cc2ccc(Cl)cc2)CCCOC1)[C@H]1CCSC1 ZINC000617838453 565262838 /nfs/dbraw/zinc/26/28/38/565262838.db2.gz SEYKIHAJYLCMFO-PKOBYXMFSA-N 1 0 382.957 2.985 20 0 GFADRO CCN(C(=O)c1cnc2ncc(Br)cc2c1)[C@H]1CC[N@H+](CC)C1 ZINC000617924905 565267040 /nfs/dbraw/zinc/26/70/40/565267040.db2.gz AWLJJYFZTMNFJH-HNNXBMFYSA-N 1 0 377.286 2.949 20 0 GFADRO C[C@@H](CCc1ccc(I)cc1)[NH2+]CCCc1ncn(C)n1 ZINC000592393389 565274232 /nfs/dbraw/zinc/27/42/32/565274232.db2.gz HICGBQUQTOYXRH-ZDUSSCGKSA-N 1 0 398.292 2.963 20 0 GFADRO C[C@@H](C(=O)Nc1ccc(Br)cc1)[NH+]1CCC(CCO)(CCO)CC1 ZINC000640012417 565274797 /nfs/dbraw/zinc/27/47/97/565274797.db2.gz CZHDMYPMMZEODE-AWEZNQCLSA-N 1 0 399.329 2.623 20 0 GFADRO C[C@H]([NH3+])C[C@H](C)NC(=O)Nc1cc(F)c(I)c(F)c1 ZINC000592422793 565275647 /nfs/dbraw/zinc/27/56/47/565275647.db2.gz NAKALAPVDIXQNC-BQBZGAKWSA-N 1 0 383.180 2.817 20 0 GFADRO O=C(N1CC[NH+]([C@H]2CCC[C@H]2O)CC1)C1(c2ccc(Br)cc2)CC1 ZINC000592406934 565275681 /nfs/dbraw/zinc/27/56/81/565275681.db2.gz SYRIMIFTNLIQNQ-DLBZAZTESA-N 1 0 393.325 2.538 20 0 GFADRO C[C@H](Oc1ccc(Cl)cc1Br)C(=O)N(C)CC1C[NH+](C)C1 ZINC000618196203 565279208 /nfs/dbraw/zinc/27/92/08/565279208.db2.gz NKGXRLPSUNVWIJ-JTQLQIEISA-N 1 0 375.694 2.890 20 0 GFADRO CN(CC1C[NH+](C)C1)C(=O)[C@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1 ZINC000618195341 565279584 /nfs/dbraw/zinc/27/95/84/565279584.db2.gz DVECZQFAJCTCMH-MRXNPFEDSA-N 1 0 384.307 2.618 20 0 GFADRO CCc1c(C(=O)N(C)CC2C[NH+](C)C2)cnn1-c1ccc(Br)cc1 ZINC000618195282 565279746 /nfs/dbraw/zinc/27/97/46/565279746.db2.gz BDJMIHWBIGRYOT-UHFFFAOYSA-N 1 0 391.313 2.831 20 0 GFADRO CN(CC1C[NH+](C)C1)C(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl ZINC000618195295 565279848 /nfs/dbraw/zinc/27/98/48/565279848.db2.gz BWLGIFJPKOEPJF-INIZCTEOSA-N 1 0 384.307 2.618 20 0 GFADRO Cc1cc(C[NH2+]C[C@H]2CNc3ccnn3C2)ccc1I ZINC000592510031 565280088 /nfs/dbraw/zinc/28/00/88/565280088.db2.gz MQCNDLZBZSLEIG-ZDUSSCGKSA-N 1 0 382.249 2.628 20 0 GFADRO COC(=O)[C@@H]1C[N@H+](Cc2ccc(Br)cc2N2CCOCC2)C[C@H]1C ZINC000592515883 565280130 /nfs/dbraw/zinc/28/01/30/565280130.db2.gz WRYLDQVEJPBOGZ-CZUORRHYSA-N 1 0 397.313 2.527 20 0 GFADRO Cc1nn(C)c(NC(=O)N2CCC(C)([NH+]3CCCC3)CC2)c1Br ZINC000640169825 565284631 /nfs/dbraw/zinc/28/46/31/565284631.db2.gz SEJPEQBSMRFJQF-UHFFFAOYSA-N 1 0 384.322 2.973 20 0 GFADRO CC[C@H](C)[NH+]1CCN(CC(=O)c2c[nH]c3ncc(Br)cc23)CC1 ZINC000660738925 565292293 /nfs/dbraw/zinc/29/22/93/565292293.db2.gz UTOWNVKJNXFUOJ-LBPRGKRZSA-N 1 0 379.302 2.924 20 0 GFADRO CC(C)(CNC(=O)Nc1nn(CC(F)(F)F)cc1Cl)[NH+]1CCCCC1 ZINC000640291534 565293693 /nfs/dbraw/zinc/29/36/93/565293693.db2.gz ZHFHABSSIDRDSJ-UHFFFAOYSA-N 1 0 381.830 3.485 20 0 GFADRO CCN1CCCN(CCS(=O)(=O)c2ccc(Br)cc2)[C@@H](C)C1 ZINC000660793583 565294568 /nfs/dbraw/zinc/29/45/68/565294568.db2.gz DTNKNOOEBXXTGC-AWEZNQCLSA-N 1 0 389.359 2.639 20 0 GFADRO CNC(=O)[C@H]1CC[N@H+](Cc2cccc(OCC(F)(F)F)c2Br)C1 ZINC000660833216 565294826 /nfs/dbraw/zinc/29/48/26/565294826.db2.gz QTBYYLLMCJNMKC-NSHDSACASA-N 1 0 395.219 2.958 20 0 GFADRO [NH3+][C@H](CNC(=O)N1CCc2[nH]c3ccc(Br)cc3c2C1)C1CC1 ZINC000640293850 565294937 /nfs/dbraw/zinc/29/49/37/565294937.db2.gz BYWXQHICEGFOCO-CQSZACIVSA-N 1 0 377.286 2.735 20 0 GFADRO O=C(Nc1nn(CC(F)(F)F)cc1Cl)NC1CC[NH+](C2CCC2)CC1 ZINC000640298239 565296182 /nfs/dbraw/zinc/29/61/82/565296182.db2.gz LNWKEYDWSOHHHZ-UHFFFAOYSA-N 1 0 379.814 3.237 20 0 GFADRO CNC(=O)[C@H]1CCC[C@@H]1[NH2+]Cc1cc(Cl)ccc1I ZINC000593027847 565309152 /nfs/dbraw/zinc/30/91/52/565309152.db2.gz XNVYYABJMLBJHJ-AAEUAGOBSA-N 1 0 392.668 2.949 20 0 GFADRO Cc1cc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](Cn3ccnn3)C2)ccc1Br ZINC000661141423 565310538 /nfs/dbraw/zinc/31/05/38/565310538.db2.gz PNEZHZPBJHODLM-UONOGXRCSA-N 1 0 392.301 2.698 20 0 GFADRO O=C(COc1ccccc1Br)N1CCCN(c2cc[nH+]cc2)CC1 ZINC000640445973 565311314 /nfs/dbraw/zinc/31/13/14/565311314.db2.gz OQQRPXQFRKEUSF-UHFFFAOYSA-N 1 0 390.281 2.962 20 0 GFADRO CO[C@@H]1CCC[C@@H]([C@H](CO)[NH2+]CC(=O)Nc2ccc(Br)c(C)c2)C1 ZINC000661223329 565315336 /nfs/dbraw/zinc/31/53/36/565315336.db2.gz YLLFDVAJDKFKPJ-UNEWFSDZSA-N 1 0 399.329 2.852 20 0 GFADRO CN(Cc1cc(Br)cn1C)C(=O)Nc1cc(C[NH+](C)C)ccn1 ZINC000640565602 565316718 /nfs/dbraw/zinc/31/67/18/565316718.db2.gz SXLLUJMMUFMZAI-UHFFFAOYSA-N 1 0 380.290 2.908 20 0 GFADRO C[C@@H]1C[N@H+](C)[C@H](C)[C@H](C)N1C(=O)c1csc(I)c1 ZINC000593189210 565318479 /nfs/dbraw/zinc/31/84/79/565318479.db2.gz XPCMVONNLOKJBQ-BBBLOLIVSA-N 1 0 378.279 2.906 20 0 GFADRO C[NH+]1CC2(C1)CCN(C(=O)c1ccc(I)cc1Cl)C2 ZINC000618921247 565321713 /nfs/dbraw/zinc/32/17/13/565321713.db2.gz PSSXPSLSDNAVAZ-UHFFFAOYSA-N 1 0 390.652 2.722 20 0 GFADRO [NH3+][C@H](c1cn(CC(=O)Nc2ccc(Cl)cc2Cl)nn1)C1CCOCC1 ZINC000640764841 565325417 /nfs/dbraw/zinc/32/54/17/565325417.db2.gz WGIHOVGFKUGUJY-INIZCTEOSA-N 1 0 384.267 2.650 20 0 GFADRO C[C@H](C(=O)Nc1cccc(Cl)c1Cl)n1cc([C@@H]([NH3+])[C@@H]2CCCO2)nn1 ZINC000640782613 565326583 /nfs/dbraw/zinc/32/65/83/565326583.db2.gz VQIOVQXZJGIOFC-ZDBHGNHJSA-N 1 0 384.267 2.963 20 0 GFADRO CC(C)[NH+]1CCC(NC(=O)CN2CCOc3cc(Br)ccc32)CC1 ZINC000661581351 565329382 /nfs/dbraw/zinc/32/93/82/565329382.db2.gz DXPWSDANDODUCX-UHFFFAOYSA-N 1 0 396.329 2.637 20 0 GFADRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)CCn2cc(Br)cn2)C1 ZINC000619166708 565330652 /nfs/dbraw/zinc/33/06/52/565330652.db2.gz AFHLQJVBNWRIMD-PBHICJAKSA-N 1 0 391.313 2.987 20 0 GFADRO C[C@@H]1C[C@H](Nc2ncnc3cc(I)sc32)CC[N@@H+]1C ZINC000593464242 565332150 /nfs/dbraw/zinc/33/21/50/565332150.db2.gz HNCFVTLEZHTLCS-RKDXNWHRSA-N 1 0 388.278 3.191 20 0 GFADRO CC[C@](C)([NH3+])c1cn(CC(=O)Nc2c(F)cc(F)cc2Br)nn1 ZINC000640895704 565334744 /nfs/dbraw/zinc/33/47/44/565334744.db2.gz PJONHMCIPWUMGF-AWEZNQCLSA-N 1 0 388.216 2.541 20 0 GFADRO CC[NH2+]Cc1ccn(Cc2cn(Cc3ccc(F)cc3Br)nn2)n1 ZINC000640899444 565334794 /nfs/dbraw/zinc/33/47/94/565334794.db2.gz NIKZAGXZMRCFAL-UHFFFAOYSA-N 1 0 393.264 2.582 20 0 GFADRO C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)n1cc(C[NH2+]C2CC2)nn1 ZINC000640925564 565337312 /nfs/dbraw/zinc/33/73/12/565337312.db2.gz LPQDIKGHPCFXFA-LBPRGKRZSA-N 1 0 392.301 2.512 20 0 GFADRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N1CCc2[nH]c3ccc(Br)cc3c2C1 ZINC000640941574 565338457 /nfs/dbraw/zinc/33/84/57/565338457.db2.gz QACOKVOOYHODGN-PIGZYNQJSA-N 1 0 391.313 2.996 20 0 GFADRO OCC1(CO)CC[N@H+](Cc2c(-c3ccc(Cl)cc3)nc3sccn23)C1 ZINC000661963734 565343280 /nfs/dbraw/zinc/34/32/80/565343280.db2.gz HBYQKYRDIXHZBQ-UHFFFAOYSA-N 1 0 377.897 2.893 20 0 GFADRO O=C1[C@@H](n2cc(C[C@H]3CC[NH2+]C3)nn2)CCN1c1ccc(Cl)c(Cl)c1 ZINC000641108829 565346253 /nfs/dbraw/zinc/34/62/53/565346253.db2.gz ORZIIMRSEJKBNB-BZNIZROVSA-N 1 0 380.279 2.715 20 0 GFADRO O[C@H](COc1ccc(Cl)cc1Br)C[N@@H+]1CC[C@H]2COC[C@@H]2C1 ZINC000662040360 565346471 /nfs/dbraw/zinc/34/64/71/565346471.db2.gz XLQUOJOXBGMLQF-OBJOEFQTSA-N 1 0 390.705 2.811 20 0 GFADRO O=C1Nc2ccc(Br)cc2CC[C@H]1n1cc(C2CC[NH2+]CC2)nn1 ZINC000641164989 565350715 /nfs/dbraw/zinc/35/07/15/565350715.db2.gz ULOGITSODLECMS-MRXNPFEDSA-N 1 0 390.285 2.634 20 0 GFADRO O=C1Nc2ccc(Br)cc2CC[C@@H]1n1cc([C@H]2CCC[NH2+]C2)nn1 ZINC000641164383 565350994 /nfs/dbraw/zinc/35/09/94/565350994.db2.gz IOMNCPBNVXNPGC-LRDDRELGSA-N 1 0 390.285 2.634 20 0 GFADRO CC(C)(C)[C@@H]([NH3+])c1cn(C[C@@H](O)COc2cccc(Br)c2)nn1 ZINC000641196883 565353461 /nfs/dbraw/zinc/35/34/61/565353461.db2.gz TVZAQVXMBOECEX-DOMZBBRYSA-N 1 0 383.290 2.526 20 0 GFADRO CC(C)(C)[C@@H]([NH3+])c1cn(C[C@H](O)COc2cccc(Br)c2)nn1 ZINC000641196888 565353513 /nfs/dbraw/zinc/35/35/13/565353513.db2.gz TVZAQVXMBOECEX-WFASDCNBSA-N 1 0 383.290 2.526 20 0 GFADRO COc1ncc(Br)cc1CN1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000662279943 565357387 /nfs/dbraw/zinc/35/73/87/565357387.db2.gz BGIYWHWNPHIYCT-CVEARBPZSA-N 1 0 384.318 2.571 20 0 GFADRO C[C@@H]([NH2+]CC[C@@]1(O)CCCOC1)c1ccccc1I ZINC000593719629 565358220 /nfs/dbraw/zinc/35/82/20/565358220.db2.gz GLATWYUGVWKUDO-DOMZBBRYSA-N 1 0 375.250 2.873 20 0 GFADRO CC[C@@H]([NH2+]CC[C@]1(O)CCOC1)c1ccc(I)cc1 ZINC000593716416 565358445 /nfs/dbraw/zinc/35/84/45/565358445.db2.gz BSVWJDOIWZTEEK-CABCVRRESA-N 1 0 375.250 2.873 20 0 GFADRO C[C@H]([NH2+]CC[C@]1(O)CCCOC1)c1ccc(I)cc1 ZINC000593719832 565358647 /nfs/dbraw/zinc/35/86/47/565358647.db2.gz HZPFUYVNASJGML-SWLSCSKDSA-N 1 0 375.250 2.873 20 0 GFADRO CN(CC(=O)Nc1ccc(Br)cc1Cl)[C@@H](C[NH3+])C(F)(F)F ZINC000662329238 565361019 /nfs/dbraw/zinc/36/10/19/565361019.db2.gz IMIXNVUJYMXXCB-JTQLQIEISA-N 1 0 388.615 2.862 20 0 GFADRO CN(Cc1nc(-c2cccc(Br)c2)no1)[C@@H](C[NH3+])C(F)(F)F ZINC000662331468 565361610 /nfs/dbraw/zinc/36/16/10/565361610.db2.gz ROKSMZIZBQXYCQ-JTQLQIEISA-N 1 0 379.180 2.821 20 0 GFADRO CCC[N@@H+]1CC[C@@H](NC(=O)CSc2nncn2-c2cccc(Cl)c2)C1 ZINC000619895072 565362367 /nfs/dbraw/zinc/36/23/67/565362367.db2.gz HWXSLSNZYGBZNJ-CQSZACIVSA-N 1 0 379.917 2.613 20 0 GFADRO COc1ccccc1[C@@H]([NH3+])CNC(=O)c1nn(C(C)(C)C)cc1Br ZINC000662396916 565363912 /nfs/dbraw/zinc/36/39/12/565363912.db2.gz PFZMELDWBIZESJ-ZDUSSCGKSA-N 1 0 395.301 2.839 20 0 GFADRO O=C(NCc1ccc(F)cc1Br)c1cc(C2CC[NH2+]CC2)no1 ZINC000662402031 565366067 /nfs/dbraw/zinc/36/60/67/565366067.db2.gz FGTZRGVPRXWVFX-UHFFFAOYSA-N 1 0 382.233 2.973 20 0 GFADRO COCC[N@@H+]1CC[C@H](NC(=O)[C@H](C)Sc2ccc(Br)cc2)C1 ZINC000593910901 565367081 /nfs/dbraw/zinc/36/70/81/565367081.db2.gz IBKKMOUKZVAJQD-JSGCOSHPSA-N 1 0 387.343 2.767 20 0 GFADRO C[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)c1cnnn1C1CC[NH2+]CC1 ZINC000662434077 565367781 /nfs/dbraw/zinc/36/77/81/565367781.db2.gz HRQWAKKYGRHTFK-NSHDSACASA-N 1 0 382.295 2.870 20 0 GFADRO C[C@@H]1CN(C(=O)Cc2ccc(Br)c(Br)c2)[C@@H](C)C[NH2+]1 ZINC000662513741 565373876 /nfs/dbraw/zinc/37/38/76/565373876.db2.gz FQKWRAXQOYZHJR-ZJUUUORDSA-N 1 0 390.119 2.963 20 0 GFADRO O=C(CCCNC(=O)[C@]1(C(F)(F)F)CC[NH2+]C1)Nc1ccc(Cl)cc1 ZINC000662515277 565373948 /nfs/dbraw/zinc/37/39/48/565373948.db2.gz KGFUTARPRCVOLF-HNNXBMFYSA-N 1 0 377.794 2.717 20 0 GFADRO COc1ccc(Br)c(NC(=O)c2cn([C@@H]3CCC[NH2+]CC3)nn2)c1 ZINC000662535729 565374638 /nfs/dbraw/zinc/37/46/38/565374638.db2.gz UREIZRZFDSZGNS-LLVKDONJSA-N 1 0 394.273 2.616 20 0 GFADRO C[C@@H](NC(=O)c1cc2c(s1)CC[NH2+]C2)C1CCN(CC(F)(F)F)CC1 ZINC000662541291 565375958 /nfs/dbraw/zinc/37/59/58/565375958.db2.gz HJZZETHCKIJJJD-LLVKDONJSA-N 1 0 375.460 2.786 20 0 GFADRO O=C(NCCN1CCc2c(Cl)cccc2C1)c1cc2c(s1)CC[NH2+]C2 ZINC000662542112 565376151 /nfs/dbraw/zinc/37/61/51/565376151.db2.gz NMNOKTVWQTVHIZ-UHFFFAOYSA-N 1 0 375.925 2.835 20 0 GFADRO C[C@@H](CNC(=O)[C@]1(C(F)(F)F)CC[NH2+]C1)Oc1cccc(Br)c1 ZINC000662633030 565379847 /nfs/dbraw/zinc/37/98/47/565379847.db2.gz XIDSGKMQCBGWRC-HZMBPMFUSA-N 1 0 395.219 2.875 20 0 GFADRO COCC1(C(=O)N2CCN(c3ccc(Cl)cc3Cl)CC2)CC[NH2+]CC1 ZINC000662635923 565379992 /nfs/dbraw/zinc/37/99/92/565379992.db2.gz OYNZDSJPIKVPOF-UHFFFAOYSA-N 1 0 386.323 2.658 20 0 GFADRO [NH3+]C[C@H]1OCC[C@H]1C(=O)N1CCC(OCc2ccc(Cl)c(Cl)c2)CC1 ZINC000662639134 565380774 /nfs/dbraw/zinc/38/07/74/565380774.db2.gz JLJQEMBRANWQET-RHSMWYFYSA-N 1 0 387.307 2.865 20 0 GFADRO CCC(C)(C)[NH+]1CCN(C(=O)c2cc(I)c[nH]2)CC1 ZINC000594389089 565382815 /nfs/dbraw/zinc/38/28/15/565382815.db2.gz FHGNYVPDTJKXNE-UHFFFAOYSA-N 1 0 375.254 2.566 20 0 GFADRO C[NH+]1CCC2(CCN(S(=O)(=O)c3ccc(F)cc3Br)C2)CC1 ZINC000641588958 565385041 /nfs/dbraw/zinc/38/50/41/565385041.db2.gz FVYWDJCAOZIHLP-UHFFFAOYSA-N 1 0 391.306 2.695 20 0 GFADRO O=C(CCc1cccc(F)c1Br)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000620477103 565385262 /nfs/dbraw/zinc/38/52/62/565385262.db2.gz AIMPNJFVTMNIGN-HNNXBMFYSA-N 1 0 399.304 2.578 20 0 GFADRO O=C(N[C@H]1C[NH2+]CC[C@H]1c1cccc(F)c1)c1c[nH]c(=O)c(Br)c1 ZINC000662866219 565388761 /nfs/dbraw/zinc/38/87/61/565388761.db2.gz JHYAESYQIJWOKN-ZFWWWQNUSA-N 1 0 394.244 2.564 20 0 GFADRO CC(C)OC[C@H]([NH3+])C(=O)N1CCc2[nH]c3ccc(Br)cc3c2C1 ZINC000662862511 565388769 /nfs/dbraw/zinc/38/87/69/565388769.db2.gz QZDOKVZUYDUADT-AWEZNQCLSA-N 1 0 380.286 2.567 20 0 GFADRO CCC[N@H+](C)CC(C)(C)NC(=O)Cc1cc2c(cc1Br)OCCO2 ZINC000620626870 565388988 /nfs/dbraw/zinc/38/89/88/565388988.db2.gz YJKAUICGWFOFJC-UHFFFAOYSA-N 1 0 399.329 2.999 20 0 GFADRO [NH3+]CC12CC(C1)CN2C(=O)C(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000662926180 565389305 /nfs/dbraw/zinc/38/93/05/565389305.db2.gz XZBSGXOSOKFSGF-YSTGTXGZSA-N 1 0 382.291 2.607 20 0 GFADRO C[NH2+]C[C@H](C)NC(=O)c1c(C)nn(Cc2cccc(Br)c2)c1C ZINC000662961295 565390716 /nfs/dbraw/zinc/39/07/16/565390716.db2.gz AVGZODIHHKXXOQ-NSHDSACASA-N 1 0 379.302 2.648 20 0 GFADRO C[NH2+]C[C@H](C)NC(=O)c1ccccc1Sc1ccc(S(C)(=O)=O)cc1 ZINC000662961927 565391107 /nfs/dbraw/zinc/39/11/07/565391107.db2.gz DLQZBQVMJGIVSE-ZDUSSCGKSA-N 1 0 378.519 2.579 20 0 GFADRO O=C(N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1)c1cc(Cl)cc(Cl)c1 ZINC000641664073 565391644 /nfs/dbraw/zinc/39/16/44/565391644.db2.gz HDXUJUNHAVTWKI-QGZVFWFLSA-N 1 0 386.323 2.520 20 0 GFADRO O=c1[nH]c2ccc(C[NH2+]C[C@@H](CO)Cc3ccc(Br)cc3)cc2[nH]1 ZINC000641761452 565397260 /nfs/dbraw/zinc/39/72/60/565397260.db2.gz IZWMJLIFZYSKBJ-AWEZNQCLSA-N 1 0 390.281 2.972 20 0 GFADRO Cc1cc(Br)ccc1[C@H](C)[NH2+]CCCCn1cc(C(N)=O)nn1 ZINC000641780546 565398299 /nfs/dbraw/zinc/39/82/99/565398299.db2.gz GGNGQRKQPIJWKY-LBPRGKRZSA-N 1 0 380.290 2.579 20 0 GFADRO O[C@H](C[NH2+]Cc1cc(Br)sc1Br)[C@@H]1CCCO1 ZINC000641775628 565398815 /nfs/dbraw/zinc/39/88/15/565398815.db2.gz NSZJEODVXKGISV-BDAKNGLRSA-N 1 0 385.121 2.903 20 0 GFADRO CC(C)([NH3+])CCNC(=O)C(=O)Nc1ccc(Br)cc1C(F)(F)F ZINC000641821960 565399797 /nfs/dbraw/zinc/39/97/97/565399797.db2.gz PTJGHTDMNVTPPB-UHFFFAOYSA-N 1 0 396.207 2.650 20 0 GFADRO COc1ccc(Br)cc1C(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000620970506 565403291 /nfs/dbraw/zinc/40/32/91/565403291.db2.gz RJSSKMBHLJHVBH-CQSZACIVSA-N 1 0 385.302 2.641 20 0 GFADRO CO[C@H](C(=O)N1CCO[C@H](CCC[NH+](C)C)C1)c1ccccc1Br ZINC000620979409 565403453 /nfs/dbraw/zinc/40/34/53/565403453.db2.gz FYRJLKHUEKAASE-PBHICJAKSA-N 1 0 399.329 2.706 20 0 GFADRO CC(C)[C@H]1CN(C(=O)c2cn(-c3ccc(Br)cc3)cn2)CC[NH2+]1 ZINC000621156276 565408462 /nfs/dbraw/zinc/40/84/62/565408462.db2.gz XMGGMUIRZYYHOB-OAHLLOKOSA-N 1 0 377.286 2.705 20 0 GFADRO Cc1nc(-c2ccc(S(=O)(=O)N(C)[C@@H](C[NH3+])C(F)(F)F)s2)cs1 ZINC000663312038 565411482 /nfs/dbraw/zinc/41/14/82/565411482.db2.gz SQOVPZNMKPHCII-JTQLQIEISA-N 1 0 385.458 2.690 20 0 GFADRO COc1cc(C[NH2+][C@H]2CCCC[C@H]2N2CCOCC2)c(Br)cn1 ZINC000621285389 565416049 /nfs/dbraw/zinc/41/60/49/565416049.db2.gz XHTYPXRDWMSWHG-JKSUJKDBSA-N 1 0 384.318 2.586 20 0 GFADRO CNS(=O)(=O)CC[NH2+][C@@H]1CCN(C(C)(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000621291046 565416128 /nfs/dbraw/zinc/41/61/28/565416128.db2.gz DMVSBLUMKDCKSI-HZPDHXFCSA-N 1 0 391.940 2.532 20 0 GFADRO CCCC(=O)NC1CC[NH+](C[C@@H](O)COc2ccc(Br)cc2)CC1 ZINC000642623432 565416220 /nfs/dbraw/zinc/41/62/20/565416220.db2.gz KEJTXUOXMQLKSC-MRXNPFEDSA-N 1 0 399.329 2.570 20 0 GFADRO CC[NH+](CC)CCNC(=O)N1CCOC[C@H]1c1ccc(Br)cc1 ZINC000663403007 565417696 /nfs/dbraw/zinc/41/76/96/565417696.db2.gz QTZJOUZZTRYYSR-INIZCTEOSA-N 1 0 384.318 2.874 20 0 GFADRO O=S(=O)(N[C@@H]1CC[N@H+](CC2CC2)C1)c1ccc(Br)cc1Cl ZINC000594774901 565419303 /nfs/dbraw/zinc/41/93/03/565419303.db2.gz HOTINQDWLLLURU-GFCCVEGCSA-N 1 0 393.734 2.865 20 0 GFADRO COc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)NCc1ccc(Cl)s1 ZINC000643059659 565420783 /nfs/dbraw/zinc/42/07/83/565420783.db2.gz JYWVXURUJDBNNR-UHFFFAOYSA-N 1 0 381.885 2.727 20 0 GFADRO Brc1ccccc1-n1nnnc1CN1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000643061808 565421035 /nfs/dbraw/zinc/42/10/35/565421035.db2.gz XLXIYVUEKRVNNW-HOCLYGCPSA-N 1 0 391.317 2.531 20 0 GFADRO CC(C)C[C@H](Cc1cccc(Br)c1)C(=O)N1CCOC2(C[NH2+]C2)C1 ZINC000663488067 565423252 /nfs/dbraw/zinc/42/32/52/565423252.db2.gz QJCFDUVVOKZUFD-MRXNPFEDSA-N 1 0 395.341 2.855 20 0 GFADRO C[C@]1(NC(=O)Nc2nnc(-c3cccc(Br)c3)s2)CC[NH2+]C1 ZINC000663588706 565426979 /nfs/dbraw/zinc/42/69/79/565426979.db2.gz DDCXZNGIIDXDCB-AWEZNQCLSA-N 1 0 382.287 2.841 20 0 GFADRO C[C@H](CNC(=O)c1cc(Br)c[nH]c1=O)[N@@H+]1CCc2ccccc2C1 ZINC000621529109 565428874 /nfs/dbraw/zinc/42/88/74/565428874.db2.gz VDAYONPFNWMNIK-GFCCVEGCSA-N 1 0 390.281 2.726 20 0 GFADRO O[C@@H]1CCC[C@H]1[NH+]1CCN(Cc2nc3ccc(Br)cc3o2)CC1 ZINC000643369394 565431346 /nfs/dbraw/zinc/43/13/46/565431346.db2.gz QMYFQDOPZWDZQN-HUUCEWRRSA-N 1 0 380.286 2.621 20 0 GFADRO [NH3+][C@@H]1C[C@H]2CN(C(=O)c3sc4cccc(Cl)c4c3Cl)CCN2C1=O ZINC000594876839 565433847 /nfs/dbraw/zinc/43/38/47/565433847.db2.gz CJXGSZXSJOHYGQ-WCBMZHEXSA-N 1 0 384.288 2.592 20 0 GFADRO COC[C@]1(C(=O)NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)CC[NH2+]C1 ZINC000643477159 565434047 /nfs/dbraw/zinc/43/40/47/565434047.db2.gz RZILWDIBUBIPEK-KWBADKCTSA-N 1 0 376.341 2.638 20 0 GFADRO COc1cc(N2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c(Br)cn1 ZINC000663748949 565434142 /nfs/dbraw/zinc/43/41/42/565434142.db2.gz WWLJODKIRHKDQA-YIONKMFJSA-N 1 0 395.345 2.600 20 0 GFADRO O=C(NCCc1ccc(Br)s1)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000643469109 565434122 /nfs/dbraw/zinc/43/41/22/565434122.db2.gz HKKZJSIAISRWHK-GFCCVEGCSA-N 1 0 383.315 2.604 20 0 GFADRO Cc1cc(C(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)nn1-c1ccc(Br)cc1 ZINC000621688330 565437062 /nfs/dbraw/zinc/43/70/62/565437062.db2.gz TWBPSYLOOHTZFF-FZKQIMNGSA-N 1 0 389.297 2.897 20 0 GFADRO Cc1nccnc1C[N@@H+]1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000621712611 565438721 /nfs/dbraw/zinc/43/87/21/565438721.db2.gz JGSNKKSHJANGPD-CYBMUJFWSA-N 1 0 390.285 2.793 20 0 GFADRO C[C@H](CC[NH+](C)C)NC(=O)N1CCOC[C@@H]1c1ccc(Br)cc1 ZINC000663850041 565439348 /nfs/dbraw/zinc/43/93/48/565439348.db2.gz QKZKJAOZCFBECV-CZUORRHYSA-N 1 0 384.318 2.872 20 0 GFADRO CC[NH+](CC)[C@H](CNC(=O)c1cc(Br)c[nH]c1=O)c1ccco1 ZINC000621753054 565439802 /nfs/dbraw/zinc/43/98/02/565439802.db2.gz HFJMTQMWFCAVJT-CYBMUJFWSA-N 1 0 382.258 2.956 20 0 GFADRO C[NH+](C)CCC[C@H]1CN(C(=O)NCCc2ccccc2Br)CCO1 ZINC000663870790 565440723 /nfs/dbraw/zinc/44/07/23/565440723.db2.gz JUKVALVHMSSDMC-INIZCTEOSA-N 1 0 398.345 2.744 20 0 GFADRO O=C(CCC[NH2+][C@@H]1CCc2ccc(I)cc21)NC1CC1 ZINC000595013699 565442053 /nfs/dbraw/zinc/44/20/53/565442053.db2.gz RKAAGLSZBKEWJH-OAHLLOKOSA-N 1 0 384.261 2.927 20 0 GFADRO CCC(=O)N1CC[C@H]([NH2+][C@H]2CCc3ccc(I)cc32)C1 ZINC000595011709 565442211 /nfs/dbraw/zinc/44/22/11/565442211.db2.gz CVECBRGCGSFOIL-ZFWWWQNUSA-N 1 0 384.261 2.879 20 0 GFADRO CCNC(=O)N1CC[C@@H]([NH2+][C@H]2CCc3ccc(I)cc32)C1 ZINC000595021987 565443144 /nfs/dbraw/zinc/44/31/44/565443144.db2.gz IQHJDGGCNAKVNQ-HIFRSBDPSA-N 1 0 399.276 2.672 20 0 GFADRO C[C@H]([NH2+][C@H]1CCc2ccc(I)cc21)C(=O)N1CCCC1 ZINC000595039511 565444815 /nfs/dbraw/zinc/44/48/15/565444815.db2.gz PVTUEJMULLOABD-NHYWBVRUSA-N 1 0 384.261 2.879 20 0 GFADRO NC(=O)N1CCC([NH2+]Cc2c(F)c(F)c(Br)c(F)c2F)CC1 ZINC000643802989 565445772 /nfs/dbraw/zinc/44/57/72/565445772.db2.gz KLGPCNSLAKBHDP-UHFFFAOYSA-N 1 0 384.171 2.638 20 0 GFADRO COC(=O)c1cn(CC[NH2+][C@H](Cc2ccc(Br)cc2)C(C)C)nn1 ZINC000595049654 565445997 /nfs/dbraw/zinc/44/59/97/565445997.db2.gz OAEJUJZANDTQRA-OAHLLOKOSA-N 1 0 395.301 2.684 20 0 GFADRO CCN1C[C@@H](C[NH2+][C@H]2CCc3ccc(I)cc32)CC1=O ZINC000595044836 565446177 /nfs/dbraw/zinc/44/61/77/565446177.db2.gz FYWGYTQPVAZTCL-ABAIWWIYSA-N 1 0 384.261 2.737 20 0 GFADRO C[N@H+](CCNC(=O)c1cc(Br)c[nH]c1=O)Cc1ccc(F)cc1 ZINC000621901991 565446690 /nfs/dbraw/zinc/44/66/90/565446690.db2.gz RLEGHJUDJDNVMR-UHFFFAOYSA-N 1 0 382.233 2.551 20 0 GFADRO C[C@@H]1CN(C(=O)c2cscc2C(F)(F)F)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000621936432 565449642 /nfs/dbraw/zinc/44/96/42/565449642.db2.gz FDJZCHFNAGEQOQ-DOMZBBRYSA-N 1 0 375.460 2.865 20 0 GFADRO COc1cc2[nH+]ccc(NC[C@@H](OC)[C@H]3CCOC3)c2cc1Br ZINC000664156931 565452992 /nfs/dbraw/zinc/45/29/92/565452992.db2.gz FPJKFWUBTUHUAV-APPDUMDISA-N 1 0 381.270 2.891 20 0 GFADRO C[C@@H]1CC2(CN1S(=O)(=O)c1ccccc1OC(F)(F)F)CC[NH2+]CC2 ZINC000643970946 565453800 /nfs/dbraw/zinc/45/38/00/565453800.db2.gz CLEGZTQFUZVPTH-GFCCVEGCSA-N 1 0 378.416 2.738 20 0 GFADRO [NH3+][C@]12CCC[C@H]1CN(S(=O)(=O)c1csc(-c3ccc(Cl)cc3)n1)C2 ZINC000622013873 565455279 /nfs/dbraw/zinc/45/52/79/565455279.db2.gz WRKMOTTWEXIAEL-LRDDRELGSA-N 1 0 383.926 2.965 20 0 GFADRO CO[C@@H](C[NH3+])C(=O)Nc1nc(C)c(Cc2cccc(Br)c2)s1 ZINC000644045635 565456372 /nfs/dbraw/zinc/45/63/72/565456372.db2.gz QJGCRLZWQYKKIQ-LBPRGKRZSA-N 1 0 384.299 2.717 20 0 GFADRO O=C(C[NH2+]C[C@@H]1CCCO1)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 ZINC000644046619 565456506 /nfs/dbraw/zinc/45/65/06/565456506.db2.gz SRZSUKGVLJFJPX-FOGDFJRCSA-N 1 0 376.341 2.781 20 0 GFADRO CC(C)[C@H]([NH3+])CCNC(=O)Nc1ccc(F)cc1I ZINC000595234831 565457140 /nfs/dbraw/zinc/45/71/40/565457140.db2.gz GEFHYAGNTBXHBD-LLVKDONJSA-N 1 0 379.217 2.925 20 0 GFADRO CC[N@@H+]1CCC[C@@H](CN(C)c2cc(Br)cnn2)[C@@H]1c1cnn(C)c1 ZINC000664295895 565457865 /nfs/dbraw/zinc/45/78/65/565457865.db2.gz IQGRLOYJVIUABX-SUMWQHHRSA-N 1 0 393.333 2.882 20 0 GFADRO FC1(F)C[C@H]1OCCNc1ncc(Cl)c(NCCO[C@@H]2CC2(F)F)n1 ZINC000664309279 565458560 /nfs/dbraw/zinc/45/85/60/565458560.db2.gz HZOTUWUMWOALOZ-NXEZZACHSA-N 1 0 384.761 2.802 20 0 GFADRO O=C(CCn1cc(Br)cn1)N1CC[NH2+]C[C@H]1c1cccc(Cl)c1 ZINC000644130180 565459804 /nfs/dbraw/zinc/45/98/04/565459804.db2.gz NHJBBEYMILPAKV-HNNXBMFYSA-N 1 0 397.704 2.862 20 0 GFADRO CC(C)[C@H]([NH3+])CNC(=O)NCc1cc(Cl)ccc1I ZINC000595266774 565459756 /nfs/dbraw/zinc/45/97/56/565459756.db2.gz BVEWBPQSZFWWQI-GFCCVEGCSA-N 1 0 395.672 2.727 20 0 GFADRO COc1cc(Br)ccc1CCCNC(=O)[C@H]1C[NH2+]CCC1(F)F ZINC000644154227 565460862 /nfs/dbraw/zinc/46/08/62/565460862.db2.gz MLFGSSMRHCNYGD-CYBMUJFWSA-N 1 0 391.256 2.751 20 0 GFADRO O=C(N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1)[C@H]1C[NH2+]CCC1(F)F ZINC000644151568 565461074 /nfs/dbraw/zinc/46/10/74/565461074.db2.gz WYSDGEADPDXYLJ-VXGBXAGGSA-N 1 0 378.250 2.933 20 0 GFADRO C[NH+](C)CCN(Cc1ccsc1)C(=O)c1cc(Br)c[nH]c1=O ZINC000622101024 565462785 /nfs/dbraw/zinc/46/27/85/565462785.db2.gz VAQYOYHNBJKLOG-UHFFFAOYSA-N 1 0 384.299 2.815 20 0 GFADRO CCS(=O)(=O)C1(CNc2cc[nH+]c3cc(OC)c(Br)cc23)CC1 ZINC000664548469 565467144 /nfs/dbraw/zinc/46/71/44/565467144.db2.gz YDELRPDVRQLHNP-UHFFFAOYSA-N 1 0 399.310 2.807 20 0 GFADRO Cc1cc(Br)cn2cc(CCNC(=O)NCC[C@H](C)[NH+](C)C)nc12 ZINC000664647939 565471350 /nfs/dbraw/zinc/47/13/50/565471350.db2.gz WOTSIVYZUCLWTL-ZDUSSCGKSA-N 1 0 396.333 2.587 20 0 GFADRO Cc1ccc(Br)cc1CNC(=O)NCCN1C[C@@H](C)OC[C@H]1C ZINC000664723174 565475425 /nfs/dbraw/zinc/47/54/25/565475425.db2.gz WMHQQFKIRSAVQS-ZIAGYGMSSA-N 1 0 384.318 2.666 20 0 GFADRO O[C@]1(C(F)(F)F)CC[C@@H]([NH2+]Cc2cn(-c3ccc(F)cc3Cl)nn2)C1 ZINC000644422708 565476423 /nfs/dbraw/zinc/47/64/23/565476423.db2.gz NHXDMOSHYYNNIB-QMTHXVAHSA-N 1 0 378.757 2.995 20 0 GFADRO C[NH+](C)CCOCCNC(=O)NCC1(Cc2ccc(Br)cc2)CC1 ZINC000664731449 565477092 /nfs/dbraw/zinc/47/70/92/565477092.db2.gz HWIXTTAXZQVDGX-UHFFFAOYSA-N 1 0 398.345 2.649 20 0 GFADRO CC[N@H+](CCNC(=O)N1C[C@@H](C)O[C@@](C)(C(F)F)C1)CCC(F)(F)F ZINC000664747050 565477333 /nfs/dbraw/zinc/47/73/33/565477333.db2.gz LMYFZESPHAVXCH-BXUZGUMPSA-N 1 0 375.382 2.715 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)C[NH2+]C[C@@H](O)Cc1ccccc1 ZINC000644533566 565480211 /nfs/dbraw/zinc/48/02/11/565480211.db2.gz MKFYGHFLTPLAJO-INIZCTEOSA-N 1 0 377.282 2.889 20 0 GFADRO CCCNC(=O)[C@@H]1CCC[N@H+](C[C@H](O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000622911310 565483110 /nfs/dbraw/zinc/48/31/10/565483110.db2.gz LRRNKQFCCQUIHC-KGLIPLIRSA-N 1 0 389.323 2.971 20 0 GFADRO CN1Cc2ccccc2[C@H]([NH2+]C[C@H](O)COc2ccc(Br)cc2)C1 ZINC000644609803 565485279 /nfs/dbraw/zinc/48/52/79/565485279.db2.gz LJAVRTVPKLPYKV-QFBILLFUSA-N 1 0 391.309 2.965 20 0 GFADRO CCc1nn(C)c(OC)c1C[NH2+]C[C@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000644618178 565485332 /nfs/dbraw/zinc/48/53/32/565485332.db2.gz MUJMUGQWWLNEHS-NSHDSACASA-N 1 0 388.295 2.827 20 0 GFADRO COCCc1ccc(OC[C@H](O)C[NH2+]Cc2ccc(Br)o2)cc1 ZINC000644628538 565485591 /nfs/dbraw/zinc/48/55/91/565485591.db2.gz XZHGOQDVLDSDQX-CQSZACIVSA-N 1 0 384.270 2.761 20 0 GFADRO CCNC(=O)C1(C[NH2+]C[C@@H](O)COc2ccc(Cl)cc2Cl)CCC1 ZINC000644632020 565486412 /nfs/dbraw/zinc/48/64/12/565486412.db2.gz RDKZAVUFPYHIEK-CYBMUJFWSA-N 1 0 375.296 2.629 20 0 GFADRO C[C@H]1CC[C@H](C)[NH+]1Cc1nc(-c2cnn3cc(Br)cnc23)no1 ZINC000664956429 565486761 /nfs/dbraw/zinc/48/67/61/565486761.db2.gz PHIMOKGYSCUCGL-UWVGGRQHSA-N 1 0 377.246 2.915 20 0 GFADRO CCn1cc(C[NH2+]C[C@H](O)COc2ccc(Cl)cc2Br)cn1 ZINC000644645767 565487588 /nfs/dbraw/zinc/48/75/88/565487588.db2.gz FHAIOYJLGPJYTC-ZDUSSCGKSA-N 1 0 388.693 2.848 20 0 GFADRO COc1cccc2c1C[C@@H]([NH2+]C[C@H](O)COc1cccc(Br)c1)C2 ZINC000644669025 565488773 /nfs/dbraw/zinc/48/87/73/565488773.db2.gz ZZFSQRSDBZCRFQ-HOTGVXAUSA-N 1 0 392.293 2.954 20 0 GFADRO COc1c(Br)ccc(C)c1C(=O)NCC[NH+]1CCC(OC)CC1 ZINC000644667465 565489082 /nfs/dbraw/zinc/48/90/82/565489082.db2.gz RZQHCEJOMNLDAP-UHFFFAOYSA-N 1 0 385.302 2.607 20 0 GFADRO CC(C)(O)C(C)(C)C[NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000644664230 565489133 /nfs/dbraw/zinc/48/91/33/565489133.db2.gz QEUNBPVNCDDVAC-CYBMUJFWSA-N 1 0 378.282 2.715 20 0 GFADRO Cc1ccc(NC(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)c(Br)c1 ZINC000665173010 565491888 /nfs/dbraw/zinc/49/18/88/565491888.db2.gz PNNDMROMWBALEX-AWEZNQCLSA-N 1 0 382.302 2.820 20 0 GFADRO COC(=O)[C@H](c1ccccc1Br)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000595895723 565496215 /nfs/dbraw/zinc/49/62/15/565496215.db2.gz TXXHFQAITHAMKU-ZQIUZPCESA-N 1 0 381.314 2.985 20 0 GFADRO C[N@@H+]1C[C@H]2CCN(Cc3cc(Br)cc(Br)c3N)[C@@H]2C1 ZINC000644842348 565497425 /nfs/dbraw/zinc/49/74/25/565497425.db2.gz XQGORAKDVXOWIX-NOZJJQNGSA-N 1 0 389.135 2.930 20 0 GFADRO O=C(Nc1ccc([C@@H]2C[NH2+]CCO2)cc1)c1cc(I)c[nH]1 ZINC000595942869 565501008 /nfs/dbraw/zinc/50/10/08/565501008.db2.gz LDXAHQOSJGVXPE-AWEZNQCLSA-N 1 0 397.216 2.533 20 0 GFADRO [NH3+][C@@H](CC(F)F)C(=O)NCc1cc(Cl)ccc1I ZINC000595939372 565501475 /nfs/dbraw/zinc/50/14/75/565501475.db2.gz WTTUXOAMTVPOEH-VIFPVBQESA-N 1 0 388.583 2.543 20 0 GFADRO O=C(CC[C@@H]1CCC[NH2+]1)Nc1nc2cc(I)ccc2[nH]1 ZINC000595950276 565502351 /nfs/dbraw/zinc/50/23/51/565502351.db2.gz SJIIICADSPLKKM-JTQLQIEISA-N 1 0 384.221 2.638 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCO[C@H]1c1cncc(Br)c1 ZINC000665529459 565502637 /nfs/dbraw/zinc/50/26/37/565502637.db2.gz KXXYJGIZQPGVAC-OAGGEKHMSA-N 1 0 382.302 2.522 20 0 GFADRO CCC[C@](C)([NH3+])C(=O)N1Cc2sc(C(=O)OC)c(Br)c2C1 ZINC000595985677 565503719 /nfs/dbraw/zinc/50/37/19/565503719.db2.gz AHFIYZCWIOEFJY-AWEZNQCLSA-N 1 0 375.288 2.657 20 0 GFADRO CN(CCC[NH+](C)C)CCNC(=O)Nc1ccc(F)cc1Br ZINC000665598525 565505209 /nfs/dbraw/zinc/50/52/09/565505209.db2.gz HGKNPPWBLNPKFQ-UHFFFAOYSA-N 1 0 375.286 2.593 20 0 GFADRO CCNC(=O)COc1cccc(C[NH2+]Cc2cc(C)c(Br)cn2)c1 ZINC000623363471 565505827 /nfs/dbraw/zinc/50/58/27/565505827.db2.gz VXILMWNATPBDJS-UHFFFAOYSA-N 1 0 392.297 2.957 20 0 GFADRO Cc1cc(C[NH2+]CCCNC(=O)c2cccc(O)c2)ncc1Br ZINC000623394487 565508484 /nfs/dbraw/zinc/50/84/84/565508484.db2.gz GSYQDVHBJGHGBB-UHFFFAOYSA-N 1 0 378.270 2.768 20 0 GFADRO C[C@H](O)CC[NH2+]Cc1cc(Cl)cc(Cl)c1OCCN1CCOCC1 ZINC000623419927 565509208 /nfs/dbraw/zinc/50/92/08/565509208.db2.gz BUSXFFHNUFFVDC-ZDUSSCGKSA-N 1 0 377.312 2.565 20 0 GFADRO FC(F)(F)c1cc(NCCCC[NH+]2CCOCC2)ncc1Br ZINC000645124235 565513329 /nfs/dbraw/zinc/51/33/29/565513329.db2.gz MVTGEMJWRYHUPE-UHFFFAOYSA-N 1 0 382.224 3.387 20 0 GFADRO O=C1[C@@H]([NH2+][C@@H]2CCc3cccc(Br)c3C2)CCN1C1CCOCC1 ZINC000645160973 565514791 /nfs/dbraw/zinc/51/47/91/565514791.db2.gz XSYOKKKXLUDJRZ-KDOFPFPSSA-N 1 0 393.325 2.676 20 0 GFADRO COc1cc(CNC(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)c(Br)cc1O ZINC000645183245 565515670 /nfs/dbraw/zinc/51/56/70/565515670.db2.gz YURMAMSRRXJZTA-UONOGXRCSA-N 1 0 398.301 2.589 20 0 GFADRO C[C@H]([NH2+]C[C@H]1CCCN(S(C)(=O)=O)C1)c1ccc(F)c(Br)c1 ZINC000645196224 565516397 /nfs/dbraw/zinc/51/63/97/565516397.db2.gz LPJDPTGKEDCTSE-NWDGAFQWSA-N 1 0 393.322 2.910 20 0 GFADRO C[C@@H]1[C@H]([NH+](C)C)CCN1c1ncnc2ccc(I)cc21 ZINC000596243250 565516485 /nfs/dbraw/zinc/51/64/85/565516485.db2.gz CLYLFTKBUCKMBD-QMTHXVAHSA-N 1 0 382.249 2.763 20 0 GFADRO CC[C@@H](C)[N@H+](C)CCNC(=O)NCc1cc(OC)c(O)cc1Br ZINC000645250451 565518691 /nfs/dbraw/zinc/51/86/91/565518691.db2.gz QPPFLGLDVWWMAQ-LLVKDONJSA-N 1 0 388.306 2.693 20 0 GFADRO Cc1c(Br)cccc1NC(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000665947375 565518710 /nfs/dbraw/zinc/51/87/10/565518710.db2.gz KCTZPMXHAGYFAO-CQSZACIVSA-N 1 0 382.302 2.820 20 0 GFADRO COCC[N@H+](C)CCNC(=O)NCC/C=C\c1ccc(Br)cc1 ZINC000623571954 565519143 /nfs/dbraw/zinc/51/91/43/565519143.db2.gz MIYWIJKIGRYUMB-HYXAFXHYSA-N 1 0 384.318 2.730 20 0 GFADRO FC(F)CN1CCC[C@H]1C[NH2+]Cc1cc2c(c(Br)c1)OCO2 ZINC000623627234 565522046 /nfs/dbraw/zinc/52/20/46/565522046.db2.gz VAJRQQSCAHKLPI-NSHDSACASA-N 1 0 377.229 2.997 20 0 GFADRO C[C@@H]([NH2+][C@@H]1CCN(c2ccc3nncn3n2)C1)c1ccc(Br)s1 ZINC000623651630 565522673 /nfs/dbraw/zinc/52/26/73/565522673.db2.gz QXZBINTWXGTOPI-GHMZBOCLSA-N 1 0 393.314 2.878 20 0 GFADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@H](CO)[C@@H](C)c1ccccc1 ZINC000666100311 565523208 /nfs/dbraw/zinc/52/32/08/565523208.db2.gz DEEYTEKCJLORAA-JKIFEVAISA-N 1 0 379.298 2.754 20 0 GFADRO C[C@H](CNC(=O)c1cc(Br)c2ccccc2c1)N1CC[NH+](C)CC1 ZINC000645426400 565524956 /nfs/dbraw/zinc/52/49/56/565524956.db2.gz WWKHHAVYNBFGBD-CQSZACIVSA-N 1 0 390.325 2.968 20 0 GFADRO O=C1[C@H]([NH2+][C@@H]2CCc3sc(Br)cc32)CCN1C1CCOCC1 ZINC000645425061 565525106 /nfs/dbraw/zinc/52/51/06/565525106.db2.gz XPKWYHMNVALBCC-CHWSQXEVSA-N 1 0 385.327 2.867 20 0 GFADRO Cc1cccc2cc(S(=O)(=O)NCCCCN3CC[NH+](C)CC3)sc21 ZINC000645467057 565528463 /nfs/dbraw/zinc/52/84/63/565528463.db2.gz VAYFMNHYUJMQNB-UHFFFAOYSA-N 1 0 381.567 2.516 20 0 GFADRO COc1ccccc1OCCC[NH2+]Cc1ccc(S(N)(=O)=O)c(Cl)c1 ZINC000666260084 565529158 /nfs/dbraw/zinc/52/91/58/565529158.db2.gz DYTKLDQTIJUWAS-UHFFFAOYSA-N 1 0 384.885 2.555 20 0 GFADRO Cc1ccncc1[C@@H](C)[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000666292298 565529942 /nfs/dbraw/zinc/52/99/42/565529942.db2.gz WCLBTTKQAOPNJH-LLVKDONJSA-N 1 0 384.299 2.651 20 0 GFADRO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NCc1cc(Cl)ccc1I ZINC000596652590 565530617 /nfs/dbraw/zinc/53/06/17/565530617.db2.gz VGTMEIAEZYHLMN-DUFXMDAXSA-N 1 0 394.684 2.787 20 0 GFADRO C[C@@H](C[C@H]1COCC[NH2+]1)NCc1cc(Cl)ccc1I ZINC000596652351 565530893 /nfs/dbraw/zinc/53/08/93/565530893.db2.gz SMVJUOUYTHJTHP-GWCFXTLKSA-N 1 0 394.684 2.801 20 0 GFADRO CN(CCC[NH+](C)C)CCNC(=O)Nc1cc(F)ccc1Br ZINC000666324802 565531693 /nfs/dbraw/zinc/53/16/93/565531693.db2.gz OWHMFSHGBSUVRQ-UHFFFAOYSA-N 1 0 375.286 2.593 20 0 GFADRO CN(CC[NH2+]Cc1ccc(Br)cc1N1CCOCC1)CC(F)F ZINC000623831680 565532088 /nfs/dbraw/zinc/53/20/88/565532088.db2.gz RTGNNGDYPZUGSD-UHFFFAOYSA-N 1 0 392.288 2.572 20 0 GFADRO O=C(NC[C@@H]1CCC[N@H+](CC2CC2)C1)Nc1nnc(CC(F)(F)F)s1 ZINC000666378657 565534974 /nfs/dbraw/zinc/53/49/74/565534974.db2.gz HBKINBHXOSKWQT-NSHDSACASA-N 1 0 377.436 2.886 20 0 GFADRO CCC[C@H](C[NH2+][C@H](C)c1ccc(Br)c(S(N)(=O)=O)c1)OCC ZINC000624051271 565539624 /nfs/dbraw/zinc/53/96/24/565539624.db2.gz YABVKFZOEWUNIA-DGCLKSJQSA-N 1 0 393.347 2.952 20 0 GFADRO Brc1ccc2c(c1)CC[C@@H]2[NH2+][C@H]1CCN(c2ccc3nncn3n2)C1 ZINC000624113260 565544176 /nfs/dbraw/zinc/54/41/76/565544176.db2.gz AOSFFNHIIRKAOY-HOCLYGCPSA-N 1 0 399.296 2.743 20 0 GFADRO C[N@@H+]1CCC[C@H]1CNC(=O)Nc1ccc(I)cc1F ZINC000597018898 565546437 /nfs/dbraw/zinc/54/64/37/565546437.db2.gz UQQMKHUBXTWOLZ-JTQLQIEISA-N 1 0 377.201 2.646 20 0 GFADRO C[N@@H+]1CCC[C@@H]1CNC(=O)Nc1ccc(I)cc1F ZINC000597018899 565546559 /nfs/dbraw/zinc/54/65/59/565546559.db2.gz UQQMKHUBXTWOLZ-SNVBAGLBSA-N 1 0 377.201 2.646 20 0 GFADRO CC(C)[NH+](CCCNC(=O)Nc1cn(C)cc(Br)c1=O)C(C)C ZINC000666692808 565549937 /nfs/dbraw/zinc/54/99/37/565549937.db2.gz DQVUGIRVMSEHKO-UHFFFAOYSA-N 1 0 387.322 2.778 20 0 GFADRO Cc1cccc2cc(S(=O)(=O)NCCC[N@@H+]3CCCO[C@@H](C)C3)sc21 ZINC000645681030 565550496 /nfs/dbraw/zinc/55/04/96/565550496.db2.gz JLHHFVUSMAZRLJ-HNNXBMFYSA-N 1 0 382.551 2.989 20 0 GFADRO Cc1cc(Br)c(F)cc1S(=O)(=O)N1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000624352099 565552513 /nfs/dbraw/zinc/55/25/13/565552513.db2.gz ICFMNYFTHUPORI-ZWNOBZJWSA-N 1 0 379.295 2.787 20 0 GFADRO Cc1nc(NC(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)ccc1Br ZINC000666722595 565553785 /nfs/dbraw/zinc/55/37/85/565553785.db2.gz VNXVHZCSABTFLO-ZDUSSCGKSA-N 1 0 383.290 2.527 20 0 GFADRO CN(CC1C[NH+](C)C1)C(=O)Nc1ccnn1Cc1ccc(Br)cc1 ZINC000666800127 565556929 /nfs/dbraw/zinc/55/69/29/565556929.db2.gz RRHXAOJCASTKBS-UHFFFAOYSA-N 1 0 392.301 2.719 20 0 GFADRO C[C@]12C[NH2+]C[C@@]1(C)CN(S(=O)(=O)c1cccc(Cl)c1Br)C2 ZINC000624412138 565557197 /nfs/dbraw/zinc/55/71/97/565557197.db2.gz KJTBLZWNILBBHP-OKILXGFUSA-N 1 0 393.734 2.723 20 0 GFADRO CS[C@@H]1CN(C(=O)Cc2ccc(Br)cc2F)C[C@H]1[NH+](C)C ZINC000597445305 565561344 /nfs/dbraw/zinc/56/13/44/565561344.db2.gz GVDYWMGJTLHGEL-ZIAGYGMSSA-N 1 0 375.307 2.635 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)c1cc(F)c(F)cc1I ZINC000597534771 565562868 /nfs/dbraw/zinc/56/28/68/565562868.db2.gz YZCDFOLVUPNEOH-CHWSQXEVSA-N 1 0 394.203 2.782 20 0 GFADRO CCC[NH+]1CCC(N(C)C(=O)c2cc(Br)cc3[nH]c(=O)[nH]c32)CC1 ZINC000667001600 565566058 /nfs/dbraw/zinc/56/60/58/565566058.db2.gz OAUQTHBLVOCSNQ-UHFFFAOYSA-N 1 0 395.301 2.977 20 0 GFADRO COc1ncc(Br)cc1CNC(=O)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000624631246 565566759 /nfs/dbraw/zinc/56/67/59/565566759.db2.gz WXBMQACNRKSQFD-OAHLLOKOSA-N 1 0 397.317 2.669 20 0 GFADRO COc1c(Br)cc(Cl)cc1NC(=O)N1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000667076556 565568064 /nfs/dbraw/zinc/56/80/64/565568064.db2.gz DJSJJNFFORWYRP-PELKAZGASA-N 1 0 392.681 2.691 20 0 GFADRO CC[C@@H](NC(=O)NC[C@H]1COCCN1C)c1cc(F)cc(Br)c1 ZINC000624731455 565572963 /nfs/dbraw/zinc/57/29/63/565572963.db2.gz PVFXMDNEPOUKBG-LSDHHAIUSA-N 1 0 388.281 2.669 20 0 GFADRO Cc1cc(Br)ccc1[C@@H]1CCCN1C(=O)NC[C@H]1COCCN1C ZINC000624731399 565573341 /nfs/dbraw/zinc/57/33/41/565573341.db2.gz MYPLQFFJPQWFSA-RDJZCZTQSA-N 1 0 396.329 2.935 20 0 GFADRO C[NH+](C)CCn1nccc1NC(=O)N[C@H](CO)c1cccc(Cl)c1Cl ZINC000667151470 565573892 /nfs/dbraw/zinc/57/38/92/565573892.db2.gz LRYSNGCUTUAALM-CYBMUJFWSA-N 1 0 386.283 2.607 20 0 GFADRO CN1CCOC[C@@H]1CNC(=O)N1CCC[C@H]1c1ccc(Br)s1 ZINC000624734513 565574149 /nfs/dbraw/zinc/57/41/49/565574149.db2.gz ZVMRWNKPCWRIFH-RYUDHWBXSA-N 1 0 388.331 2.688 20 0 GFADRO O=C(NC[C@H]1C[NH2+]CCCO1)Nc1cc(Br)c(F)cc1Cl ZINC000667183781 565574657 /nfs/dbraw/zinc/57/46/57/565574657.db2.gz YQSULAXEDOEYMN-MRVPVSSYSA-N 1 0 380.645 2.742 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)Nc2nc3cc(Br)ccn3n2)C1 ZINC000667192541 565575964 /nfs/dbraw/zinc/57/59/64/565575964.db2.gz XSZNNZRJAKNWFA-NSHDSACASA-N 1 0 395.305 2.734 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)c2cncc(I)c2)C1 ZINC000597860555 565578259 /nfs/dbraw/zinc/57/82/59/565578259.db2.gz OMRSQEDIFBGHDO-LLVKDONJSA-N 1 0 387.265 2.536 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)c1ccc(I)c(O)c1 ZINC000597857302 565578597 /nfs/dbraw/zinc/57/85/97/565578597.db2.gz CUWXTTVLCROJNX-NSHDSACASA-N 1 0 388.249 2.599 20 0 GFADRO C[C@H]1CC[N@H+](CC(=O)NCc2cc(Cl)ccc2I)C1 ZINC000597895205 565579959 /nfs/dbraw/zinc/57/99/59/565579959.db2.gz UOTIEZSNRPHVGS-JTQLQIEISA-N 1 0 392.668 2.903 20 0 GFADRO O=C(NC[C@H]1CCCC[NH2+]1)Nc1cnn(-c2ccccc2Br)c1 ZINC000667276214 565580258 /nfs/dbraw/zinc/58/02/58/565580258.db2.gz QNANKSQOYXERCX-GFCCVEGCSA-N 1 0 378.274 2.898 20 0 GFADRO COCCOc1ccc(Br)cc1NC(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000667339076 565582686 /nfs/dbraw/zinc/58/26/86/565582686.db2.gz IKZNQYDLKPJOCA-WFASDCNBSA-N 1 0 398.301 2.690 20 0 GFADRO O=C(NCc1csc(C(F)(F)F)c1)N1CC[NH+](C2CCOCC2)CC1 ZINC000624932028 565583387 /nfs/dbraw/zinc/58/33/87/565583387.db2.gz MLGYEMZNLNRURZ-UHFFFAOYSA-N 1 0 377.432 2.773 20 0 GFADRO C[C@@H](CCNC(=O)c1cc(I)c(F)cc1F)[NH+](C)C ZINC000597994537 565586846 /nfs/dbraw/zinc/58/68/46/565586846.db2.gz ZTDDRALZDVSEKQ-QMMMGPOBSA-N 1 0 382.192 2.639 20 0 GFADRO [NH3+][C@@H]1CCC[C@H](NC(=O)C(=O)Nc2ccccc2SCC(F)(F)F)C1 ZINC000667526187 565592385 /nfs/dbraw/zinc/59/23/85/565592385.db2.gz HOSZUIBTEHNPHK-MNOVXSKESA-N 1 0 375.416 2.666 20 0 GFADRO CC1([NH3+])CCN(C(=O)C(=O)Nc2cccnc2-c2ccc(Cl)s2)CC1 ZINC000667515342 565592542 /nfs/dbraw/zinc/59/25/42/565592542.db2.gz PRNVXQBFNLVVJT-UHFFFAOYSA-N 1 0 378.885 2.742 20 0 GFADRO CC(C)Sc1ccc(Cl)cc1NC(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000667540546 565593558 /nfs/dbraw/zinc/59/35/58/565593558.db2.gz NTJKVXYPMHDJFU-WFASDCNBSA-N 1 0 381.929 2.989 20 0 GFADRO [NH3+][C@@H](CNC(=O)Nc1ccc(-c2ccc(Br)s2)nn1)C1CC1 ZINC000667529429 565593710 /nfs/dbraw/zinc/59/37/10/565593710.db2.gz COEAXNOTZCCTSB-VIFPVBQESA-N 1 0 382.287 2.826 20 0 GFADRO COCC(=O)NC1CC[NH+](Cc2cc3cc(Br)ccc3o2)CC1 ZINC000667532629 565593716 /nfs/dbraw/zinc/59/37/16/565593716.db2.gz UGHUOGVPEYFLTH-UHFFFAOYSA-N 1 0 381.270 2.922 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CN(C(=O)Nc2cc(F)c(Br)cc2Cl)CCO1 ZINC000667546830 565594115 /nfs/dbraw/zinc/59/41/15/565594115.db2.gz SKNMYGNDXMMHMN-MADCSZMMSA-N 1 0 380.645 2.822 20 0 GFADRO CC[C@H]1CN(C(=O)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)CC[C@H]1[NH3+] ZINC000667548348 565594253 /nfs/dbraw/zinc/59/42/53/565594253.db2.gz MAORBXLDRBHUCK-JOYOIKCWSA-N 1 0 377.794 2.883 20 0 GFADRO CC[C@@H]1CN(C(=O)C(=O)Nc2nc(-c3ccc(C)s3)cs2)CC[C@H]1[NH3+] ZINC000667550596 565594762 /nfs/dbraw/zinc/59/47/62/565594762.db2.gz POJHURMNSKGTEF-VXGBXAGGSA-N 1 0 378.523 2.704 20 0 GFADRO C[C@H]([NH3+])[C@H]1CN(C(=O)Nc2cc(F)c(Br)c(Cl)c2)CCO1 ZINC000667594237 565595699 /nfs/dbraw/zinc/59/56/99/565595699.db2.gz SRYVANHHXKQRHX-WRWORJQWSA-N 1 0 380.645 2.822 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CN(C(=O)Nc2nc3c(cccc3Br)s2)CCO1 ZINC000667595267 565595954 /nfs/dbraw/zinc/59/59/54/565595954.db2.gz SZQNTKOITCEPJB-SCZZXKLOSA-N 1 0 385.287 2.639 20 0 GFADRO CCO[C@@H](CN1CCCN(S(=O)(=O)c2ccc(Cl)s2)CC1)C1CC1 ZINC000625118579 565600060 /nfs/dbraw/zinc/60/00/60/565600060.db2.gz JRDPMADDZWDFTK-AWEZNQCLSA-N 1 0 392.974 2.913 20 0 GFADRO Cc1[nH]c(=O)c(C(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cc1Br ZINC000646377354 565601128 /nfs/dbraw/zinc/60/11/28/565601128.db2.gz AUGKVDHPPLEJKI-OLZOCXBDSA-N 1 0 382.302 2.710 20 0 GFADRO Cc1cc(Br)c(Cl)cc1NC(=O)NCC1(O)CC[NH+](C)CC1 ZINC000667690370 565601161 /nfs/dbraw/zinc/60/11/61/565601161.db2.gz WWTPQWDSOFMGLY-UHFFFAOYSA-N 1 0 390.709 2.989 20 0 GFADRO NC(=O)CC[C@@H]1CCC[N@@H+]([C@H]2CCc3cc(Br)ccc3NC2=O)C1 ZINC000625130890 565601243 /nfs/dbraw/zinc/60/12/43/565601243.db2.gz JWUJFANOFGNLJC-LRDDRELGSA-N 1 0 394.313 2.680 20 0 GFADRO Cc1cc(Br)c(Cl)cc1NC(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000667688542 565601286 /nfs/dbraw/zinc/60/12/86/565601286.db2.gz WMILKMNOMBXBDZ-AWEZNQCLSA-N 1 0 376.682 2.599 20 0 GFADRO COCCOC[C@H]1CC[N@@H+]([C@@H]2CCc3cc(Br)ccc3NC2=O)C1 ZINC000625190225 565605800 /nfs/dbraw/zinc/60/58/00/565605800.db2.gz SWYYYSRRYVEPPQ-SUMWQHHRSA-N 1 0 397.313 2.687 20 0 GFADRO CCC[N@@H+]1CC[C@H](NC(=O)c2ccc(OC)c(I)c2)C1 ZINC000598342228 565609482 /nfs/dbraw/zinc/60/94/82/565609482.db2.gz KVCPYGDNCFYPDC-LBPRGKRZSA-N 1 0 388.249 2.514 20 0 GFADRO CCC[N@@H+]1CC[C@H](NC(=O)c2cc(I)c(F)cc2F)C1 ZINC000598341439 565609723 /nfs/dbraw/zinc/60/97/23/565609723.db2.gz BKTPJRAIEZVVTF-VIFPVBQESA-N 1 0 394.203 2.784 20 0 GFADRO CC(C)[NH+]1CCC(NC(=O)c2cc(Br)cc3[nH]c(=O)[nH]c32)CC1 ZINC000646601125 565610120 /nfs/dbraw/zinc/61/01/20/565610120.db2.gz ULALFLVYYYKGFY-UHFFFAOYSA-N 1 0 381.274 2.634 20 0 GFADRO CN(C)CC[N@H+](C)CCCN(C)C(=O)Nc1cccc(Br)c1F ZINC000667919119 565613040 /nfs/dbraw/zinc/61/30/40/565613040.db2.gz WCCCYVPQRRYEKE-UHFFFAOYSA-N 1 0 389.313 2.935 20 0 GFADRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)Nc1cccc(Br)c1F ZINC000667920928 565613482 /nfs/dbraw/zinc/61/34/82/565613482.db2.gz QXAHNLAMFOLUFA-NSHDSACASA-N 1 0 388.281 2.897 20 0 GFADRO C[C@H]1CN(C(=O)Nc2cccc(Br)c2F)CC[N@@H+]1CC(C)(C)O ZINC000667921209 565613891 /nfs/dbraw/zinc/61/38/91/565613891.db2.gz ZHAIIYCDSVPNKK-NSHDSACASA-N 1 0 388.281 2.897 20 0 GFADRO COCC[NH+]1CCC(NC(=O)c2cc3cc(Br)sc3[nH]2)CC1 ZINC000646762118 565617978 /nfs/dbraw/zinc/61/79/78/565617978.db2.gz XYOABFWKWDJSOB-UHFFFAOYSA-N 1 0 386.315 2.833 20 0 GFADRO C[C@H]1CCCN(C(=O)CNC(=O)c2sc3ccccc3c2Cl)[C@@H]1C[NH3+] ZINC000646772727 565618380 /nfs/dbraw/zinc/61/83/80/565618380.db2.gz WBCYANJAZCOJBJ-WCQYABFASA-N 1 0 379.913 2.870 20 0 GFADRO C[NH2+]C[C@H]1CCCN1C(=O)c1cn(-c2ccc(Br)cc2)nc1C ZINC000646816546 565620944 /nfs/dbraw/zinc/62/09/44/565620944.db2.gz UBLNAVGZVBEHDW-OAHLLOKOSA-N 1 0 377.286 2.767 20 0 GFADRO C[C@@H](CNC(=O)c1cc2cc(Br)sc2[nH]1)C[NH+]1CCN(C)CC1 ZINC000646874647 565624354 /nfs/dbraw/zinc/62/43/54/565624354.db2.gz RDQYBNPYJNYYFD-NSHDSACASA-N 1 0 399.358 2.605 20 0 GFADRO CC(C)[C@H]1CN([C@@H]2CCc3cc(Br)ccc3NC2=O)CC[N@@H+]1C ZINC000625372628 565624345 /nfs/dbraw/zinc/62/43/45/565624345.db2.gz HSVIGDFQDRLXTB-IAGOWNOFSA-N 1 0 380.330 2.974 20 0 GFADRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)c2cc(Br)cc3[nH]c(=O)[nH]c32)C1 ZINC000646903985 565625824 /nfs/dbraw/zinc/62/58/24/565625824.db2.gz JRFYMYMNEOYXAJ-NSHDSACASA-N 1 0 395.301 2.739 20 0 GFADRO CC(C)[C@H]1CN(C(=O)c2ccc(I)cc2F)CC[NH2+]1 ZINC000598574549 565627873 /nfs/dbraw/zinc/62/78/73/565627873.db2.gz RQAQKZPQPWAZMO-CYBMUJFWSA-N 1 0 376.213 2.500 20 0 GFADRO CC1([NH3+])CCN(C(=O)[C@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000646995620 565630955 /nfs/dbraw/zinc/63/09/55/565630955.db2.gz FOAYERIVDZAPJZ-OAHLLOKOSA-N 1 0 384.307 2.938 20 0 GFADRO Cc1cc(C(=O)N2CCC(C)([NH3+])CC2)nn1-c1ccc(Br)cc1 ZINC000646991151 565631585 /nfs/dbraw/zinc/63/15/85/565631585.db2.gz PWNDVGNCAKWQFL-UHFFFAOYSA-N 1 0 377.286 2.897 20 0 GFADRO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000647034413 565633287 /nfs/dbraw/zinc/63/32/87/565633287.db2.gz OPUKVKAXFWAQMX-WCFLWFBJSA-N 1 0 388.270 2.505 20 0 GFADRO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)CCNc1ncc(C(F)(F)F)cc1Cl ZINC000647035567 565633507 /nfs/dbraw/zinc/63/35/07/565633507.db2.gz OIGUJTURZWUOCU-QWRGUYRKSA-N 1 0 382.789 2.714 20 0 GFADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)CCc1ccc(OC)cc1Br ZINC000668262601 565636525 /nfs/dbraw/zinc/63/65/25/565636525.db2.gz VOOQKNOGFQETMY-HNNXBMFYSA-N 1 0 399.329 2.617 20 0 GFADRO O=C1Nc2ccc(Br)cc2CC[C@H]1[N@@H+]1CCC[C@](O)(C2CC2)C1 ZINC000625537328 565636767 /nfs/dbraw/zinc/63/67/67/565636767.db2.gz QEQCNGQQADOEFX-SJLPKXTDSA-N 1 0 379.298 2.939 20 0 GFADRO COc1ncc(C(=O)N2CCC([C@H]3[NH2+]CC3(C)C)CC2)cc1Br ZINC000647093232 565636876 /nfs/dbraw/zinc/63/68/76/565636876.db2.gz FFBHGZYYFGEFCG-CQSZACIVSA-N 1 0 382.302 2.703 20 0 GFADRO O=C(Cc1ccc(Br)cc1F)NCC1([NH+]2CCCC2)CCOCC1 ZINC000668317536 565640025 /nfs/dbraw/zinc/64/00/25/565640025.db2.gz PFFZALAKGPRZMB-UHFFFAOYSA-N 1 0 399.304 2.892 20 0 GFADRO CC(C)Cn1nccc1C[NH2+]CCNC(=O)c1ccc(Br)cc1 ZINC000647173906 565642733 /nfs/dbraw/zinc/64/27/33/565642733.db2.gz DWYBKNUHHFQUGD-UHFFFAOYSA-N 1 0 379.302 2.821 20 0 GFADRO OCC1(C[NH2+]Cc2cc(OC(F)F)ccc2Br)CCOCC1 ZINC000647195788 565646002 /nfs/dbraw/zinc/64/60/02/565646002.db2.gz CQPBBOQJZDJTJB-UHFFFAOYSA-N 1 0 380.229 2.929 20 0 GFADRO C[C@H]1CN(S(=O)(=O)Cc2ccc(Br)cc2Cl)CC[C@H]1[NH3+] ZINC000647222589 565646970 /nfs/dbraw/zinc/64/69/70/565646970.db2.gz HVZJKSGXJAECAD-TVQRCGJNSA-N 1 0 381.723 2.601 20 0 GFADRO FC(F)Oc1ccc(Br)c(C[NH2+][C@@H]2CCc3nnnn3CC2)c1 ZINC000647218800 565647572 /nfs/dbraw/zinc/64/75/72/565647572.db2.gz IRACUBYBIQPNPH-SNVBAGLBSA-N 1 0 388.216 2.532 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+][C@@H]1CCS[C@@H]1C ZINC000647259248 565649114 /nfs/dbraw/zinc/64/91/14/565649114.db2.gz XKWMVVSGNBKYNG-MISXGVKJSA-N 1 0 387.343 2.946 20 0 GFADRO CO[C@@H]1CS(=O)(=O)C[C@H]1[NH2+][C@H](C)CCCOc1ccc(Cl)c(C)c1 ZINC000668507562 565651283 /nfs/dbraw/zinc/65/12/83/565651283.db2.gz PAESJUCZUAKKQO-KBRIMQKVSA-N 1 0 375.918 2.598 20 0 GFADRO CC[C@H]1CN(S(=O)(=O)c2cc(Br)sc2Cl)CC[C@@H]1[NH3+] ZINC000647269248 565651927 /nfs/dbraw/zinc/65/19/27/565651927.db2.gz OYPOFOMXAOVPMU-YUMQZZPRSA-N 1 0 387.752 2.912 20 0 GFADRO CC[C@H]1CN(S(=O)(=O)Cc2cc(Cl)ccc2Br)CC[C@H]1[NH3+] ZINC000647270206 565652010 /nfs/dbraw/zinc/65/20/10/565652010.db2.gz RWJUMNAGHWMXMG-IINYFYTJSA-N 1 0 395.750 2.992 20 0 GFADRO CC[C@H]1CN(S(=O)(=O)c2ccc(Br)c(Cl)c2)CC[C@H]1[NH3+] ZINC000647269779 565652085 /nfs/dbraw/zinc/65/20/85/565652085.db2.gz ZNRWAQSBBUOBSI-TVQRCGJNSA-N 1 0 381.723 2.850 20 0 GFADRO O[C@H](C[NH2+]Cc1cc(Cl)ccc1I)[C@@H]1CCCO1 ZINC000598991056 565653023 /nfs/dbraw/zinc/65/30/23/565653023.db2.gz TZHWZWMSYDKHBO-OLZOCXBDSA-N 1 0 381.641 2.574 20 0 GFADRO CCCc1ccc(Cl)c(S(=O)(=O)N2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)c1 ZINC000647320207 565656260 /nfs/dbraw/zinc/65/62/60/565656260.db2.gz KHQPCWQABNNERF-AEFFLSMTSA-N 1 0 386.945 2.809 20 0 GFADRO COc1cc(Br)c(S(=O)(=O)N(C)C2(C[NH3+])CCC2)cc1Cl ZINC000647320685 565657189 /nfs/dbraw/zinc/65/71/89/565657189.db2.gz SZEINAPLJZSHBJ-UHFFFAOYSA-N 1 0 397.722 2.613 20 0 GFADRO Cn1cc(Br)c2ccc(S(=O)(=O)N[C@H](C[NH3+])C(C)(C)C)cc21 ZINC000647324420 565657879 /nfs/dbraw/zinc/65/78/79/565657879.db2.gz VWVPPUWACRXYGE-CQSZACIVSA-N 1 0 388.331 2.593 20 0 GFADRO CC[C@H](C)C[C@@H](CO)[NH2+][C@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000647336563 565658119 /nfs/dbraw/zinc/65/81/19/565658119.db2.gz CJHNEBWSZPMOEB-LOWVWBTDSA-N 1 0 393.347 2.544 20 0 GFADRO CC(C)N1CCC[C@@H]([NH2+][C@@]2(CO)CCc3cc(Br)ccc3C2)C1=O ZINC000625795388 565659754 /nfs/dbraw/zinc/65/97/54/565659754.db2.gz TZLPHGLHPROIKH-MJGOQNOKSA-N 1 0 395.341 2.658 20 0 GFADRO C[C@@H]([NH3+])C[C@H](C)NC(=O)Nc1ccnn1Cc1ccc(Br)cc1 ZINC000647475433 565660475 /nfs/dbraw/zinc/66/04/75/565660475.db2.gz ONKOTYGOGNNBDB-NEPJUHHUSA-N 1 0 380.290 2.941 20 0 GFADRO CC[NH+]1CCN([C@@H](C)CNC(=O)c2cc(Br)cc(C)c2C)CC1 ZINC000668674686 565660382 /nfs/dbraw/zinc/66/03/82/565660382.db2.gz RICIAMARAUSXJS-AWEZNQCLSA-N 1 0 382.346 2.822 20 0 GFADRO CCn1nccc1CC[NH2+][C@@]1(CO)CCc2cc(Br)ccc2C1 ZINC000625797138 565660734 /nfs/dbraw/zinc/66/07/34/565660734.db2.gz QKUSNLKVKRWXPK-SFHVURJKSA-N 1 0 378.314 2.718 20 0 GFADRO O=C(C[NH2+][C@]1(CO)CCc2cc(Br)ccc2C1)N1CCCCCC1 ZINC000625795606 565660812 /nfs/dbraw/zinc/66/08/12/565660812.db2.gz XETATZBTFIYGGB-LJQANCHMSA-N 1 0 395.341 2.661 20 0 GFADRO O[C@H](C[NH2+]C[C@H]1CC[C@@H](O)C1)COc1ccc(Cl)cc1Br ZINC000647528840 565662619 /nfs/dbraw/zinc/66/26/19/565662619.db2.gz JYMUWTBFPDYARP-CYZMBNFOSA-N 1 0 378.694 2.593 20 0 GFADRO CCC(CC)[C@@H](O)C[NH2+]C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000647523840 565663023 /nfs/dbraw/zinc/66/30/23/565663023.db2.gz MSWGDUGJIGOZPN-HOCLYGCPSA-N 1 0 378.282 2.715 20 0 GFADRO C[NH2+]C[C@@H]1C[C@H](F)CN1Cc1ncc(Br)cc1Br ZINC000647540439 565664157 /nfs/dbraw/zinc/66/41/57/565664157.db2.gz RRSMZUNVOKJWAW-UWVGGRQHSA-N 1 0 381.087 2.738 20 0 GFADRO O[C@H](C[NH2+]C[C@@H](O)C1CCC1)COc1ccc(Cl)cc1Br ZINC000647537019 565664199 /nfs/dbraw/zinc/66/41/99/565664199.db2.gz AGXCPZWAYMLRTN-TZMCWYRMSA-N 1 0 378.694 2.593 20 0 GFADRO Brc1cnc(CN2CC[C@@H]3CC[NH2+][C@@H]3C2)c(Br)c1 ZINC000647533915 565664259 /nfs/dbraw/zinc/66/42/59/565664259.db2.gz AFZWHQMXOYZWIH-JOYOIKCWSA-N 1 0 375.108 2.790 20 0 GFADRO C[C@@H]1CC[C@@H](NC(=O)Nc2ccnn2Cc2cccc(Br)c2)C[NH2+]1 ZINC000625880860 565664247 /nfs/dbraw/zinc/66/42/47/565664247.db2.gz RVFVJXKDYZXYKF-IUODEOHRSA-N 1 0 392.301 2.956 20 0 GFADRO C[NH2+]CCOCCN(C)C(=O)Nc1cc(OC)c(Br)cc1Cl ZINC000625901143 565665439 /nfs/dbraw/zinc/66/54/39/565665439.db2.gz REBAAVAESNSXHR-UHFFFAOYSA-N 1 0 394.697 2.811 20 0 GFADRO [NH3+]CC[C@@H](NC(=O)N[C@@H]1CCN(c2ccc(Cl)cc2F)C1)C(F)(F)F ZINC000625898218 565665480 /nfs/dbraw/zinc/66/54/80/565665480.db2.gz JPQDNBATJLMKFC-ZWNOBZJWSA-N 1 0 382.789 2.637 20 0 GFADRO CN(C)C[C@H]([NH2+]C[C@H](O)COC[C@@H]1CCCO1)c1ccc(Cl)c(Cl)c1 ZINC000625983729 565667791 /nfs/dbraw/zinc/66/77/91/565667791.db2.gz YYZDKXIGKBKKRO-MPGHIAIKSA-N 1 0 391.339 2.742 20 0 GFADRO COc1ccc([C@H](C)NC(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)cc1Br ZINC000668844092 565668318 /nfs/dbraw/zinc/66/83/18/565668318.db2.gz CJSCYPNHYVSPDE-SLEUVZQESA-N 1 0 382.302 2.912 20 0 GFADRO O=C1[C@H]([N@@H+]2C[C@@H]3CCC[C@]3(CO)C2)CCN1c1cccc(Br)c1 ZINC000626015215 565671041 /nfs/dbraw/zinc/67/10/41/565671041.db2.gz MXDYFRPJDVXSPQ-FDQGKXFDSA-N 1 0 379.298 2.649 20 0 GFADRO Cc1cc(C(=O)N2CC[C@@H]([N@@H+]3CC[C@@H](O)C3)C2)cc(Cl)c1Br ZINC000647707651 565671479 /nfs/dbraw/zinc/67/14/79/565671479.db2.gz BEJNTVRLWQWXPL-CHWSQXEVSA-N 1 0 387.705 2.692 20 0 GFADRO CC(C)Oc1cc(Br)ccc1C(=O)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000647707146 565671813 /nfs/dbraw/zinc/67/18/13/565671813.db2.gz XAGBKUHBTLIDLD-HUUCEWRRSA-N 1 0 397.313 2.517 20 0 GFADRO C[C@@H]1C[C@@H](c2ccc(Br)cc2)C[N@@H+]1CC(=O)NC1CCOCC1 ZINC000626039884 565672030 /nfs/dbraw/zinc/67/20/30/565672030.db2.gz RGVDJTCDBRLITK-UKRRQHHQSA-N 1 0 381.314 2.922 20 0 GFADRO C[NH+]1CCC2(CCN(C(=O)[C@@H]3COc4ccc(Br)cc43)C2)CC1 ZINC000647723464 565673331 /nfs/dbraw/zinc/67/33/31/565673331.db2.gz GFJPOBBKKNHMDX-OAHLLOKOSA-N 1 0 379.298 2.869 20 0 GFADRO CC(C)(C)n1cc(Br)c(C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)n1 ZINC000669045401 565676143 /nfs/dbraw/zinc/67/61/43/565676143.db2.gz QBSFXZBDBHUVOM-CYBMUJFWSA-N 1 0 383.334 2.959 20 0 GFADRO CC[C@@H](C(=O)N1CC[C@H](Oc2cncc(Br)c2)C1)[NH+](CC)CC ZINC000647792755 565677081 /nfs/dbraw/zinc/67/70/81/565677081.db2.gz WEMJLZLUHRTROL-HOCLYGCPSA-N 1 0 384.318 2.944 20 0 GFADRO CC[C@H](C(=O)N1CC[C@H](Oc2cncc(Br)c2)C1)[NH+](CC)CC ZINC000647792754 565677298 /nfs/dbraw/zinc/67/72/98/565677298.db2.gz WEMJLZLUHRTROL-GOEBONIOSA-N 1 0 384.318 2.944 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C(=O)N1CC[NH2+]CC1(C)C ZINC000647841427 565679561 /nfs/dbraw/zinc/67/95/61/565679561.db2.gz SDRRYKICCSSBCA-UHFFFAOYSA-N 1 0 377.286 2.767 20 0 GFADRO C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)Cc1csc(NC(=O)c2cccs2)n1 ZINC000647832259 565680040 /nfs/dbraw/zinc/68/00/40/565680040.db2.gz XBTIRZOIVWCQQU-AAEUAGOBSA-N 1 0 378.523 2.550 20 0 GFADRO CC(=O)NC[C@@H]1CCCC[N@@H+]1C[C@@H](O)COc1ccc(Cl)cc1Cl ZINC000626154477 565680124 /nfs/dbraw/zinc/68/01/24/565680124.db2.gz PPRAKTNZIBYKFY-LSDHHAIUSA-N 1 0 375.296 2.724 20 0 GFADRO C[C@@H]1[C@H]([NH+](C)C)CCN1S(=O)(=O)Cc1ccc(Cl)cc1Br ZINC000647888562 565680900 /nfs/dbraw/zinc/68/09/00/565680900.db2.gz JAJVXWMKUOQEGH-QMTHXVAHSA-N 1 0 395.750 2.957 20 0 GFADRO NC(=O)[C@H](c1ccc(Br)cc1F)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647903742 565683087 /nfs/dbraw/zinc/68/30/87/565683087.db2.gz OYFZZJDUDLFTPF-XZJROXQQSA-N 1 0 384.293 2.579 20 0 GFADRO C[C@H](NC(=O)NC[C@H]1CCCC[NH2+]1)c1cc2c(cc1Br)OCCO2 ZINC000669399042 565687180 /nfs/dbraw/zinc/68/71/80/565687180.db2.gz ATMSICCERNVNPR-NWDGAFQWSA-N 1 0 398.301 2.723 20 0 GFADRO [NH3+]C1(C(=O)NCCc2ccc(F)c(Br)c2)Cc2ccccc2C1 ZINC000648008377 565687580 /nfs/dbraw/zinc/68/75/80/565687580.db2.gz FVRODJVKQGRHNF-UHFFFAOYSA-N 1 0 377.257 2.743 20 0 GFADRO C[C@H]([NH3+])[C@H]1CN(C(=O)NCCCOc2ccc(Cl)cc2Cl)CCO1 ZINC000669422867 565688285 /nfs/dbraw/zinc/68/82/85/565688285.db2.gz VLHYLVJTVBXBAT-XHDPSFHLSA-N 1 0 376.284 2.520 20 0 GFADRO O=C(Nc1ccc(CCn2cc(Br)cn2)cc1)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000648090281 565691289 /nfs/dbraw/zinc/69/12/89/565691289.db2.gz FQCNXELFFYZQHO-WQVCFCJDSA-N 1 0 375.270 2.577 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CN(C(=O)NCc2cc(Cl)cc(Cl)c2OC(F)F)CCO1 ZINC000669526777 565691689 /nfs/dbraw/zinc/69/16/89/565691689.db2.gz NSMFNGHRZCOZGY-PELKAZGASA-N 1 0 398.237 2.852 20 0 GFADRO O=C(N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)N[C@H]1CCC[NH2+]CC1 ZINC000669553883 565692104 /nfs/dbraw/zinc/69/21/04/565692104.db2.gz KRJJBXQOWPDDHV-NHYWBVRUSA-N 1 0 385.295 2.540 20 0 GFADRO COc1ccc(NC(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)c(I)c1 ZINC000599607522 565692329 /nfs/dbraw/zinc/69/23/29/565692329.db2.gz ZHFQCLSDNFLMBR-NXEZZACHSA-N 1 0 389.237 2.562 20 0 GFADRO CO[C@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000669551773 565692511 /nfs/dbraw/zinc/69/25/11/565692511.db2.gz OUODQWSONNDMQY-WQVCFCJDSA-N 1 0 384.318 2.966 20 0 GFADRO CCOC(=O)c1cc(Br)ccc1NC(=O)N[C@@H]1CC[NH2+][C@H]1CC ZINC000599602874 565692539 /nfs/dbraw/zinc/69/25/39/565692539.db2.gz KDCWDBPMTJXPFE-GXTWGEPZSA-N 1 0 384.274 2.888 20 0 GFADRO COCC1(CNC(=O)N[C@@H]2C[C@H]2c2cccc(Br)c2)CC[NH2+]CC1 ZINC000669572832 565693230 /nfs/dbraw/zinc/69/32/30/565693230.db2.gz CLDGURIMHKQZQT-JKSUJKDBSA-N 1 0 396.329 2.620 20 0 GFADRO O=C(N[C@H]1CCCc2c3cc(Br)ccc3[nH]c21)N1CC[NH2+]CC1 ZINC000669587697 565694514 /nfs/dbraw/zinc/69/45/14/565694514.db2.gz NAQGAVIXFGEPHD-HNNXBMFYSA-N 1 0 377.286 2.923 20 0 GFADRO CC1(C)Cc2c(cccc2Br)[C@@H]1NC(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000669590390 565694526 /nfs/dbraw/zinc/69/45/26/565694526.db2.gz RQZHAKTZMQJFHW-WBMJQRKESA-N 1 0 396.329 2.832 20 0 GFADRO CC(C)(C)OC(=O)C(C)(C)NC[C@H](O)COc1ccc(Br)cc1 ZINC000599673184 565696509 /nfs/dbraw/zinc/69/65/09/565696509.db2.gz RBKQMRHYZRQWCU-ZDUSSCGKSA-N 1 0 388.302 2.899 20 0 GFADRO COC(=O)CCN1CCN(C(=O)c2sc3ncccc3c2Cl)[C@@H](C)C1 ZINC000599732816 565698571 /nfs/dbraw/zinc/69/85/71/565698571.db2.gz GNDLYZLIJBIAEM-NSHDSACASA-N 1 0 381.885 2.659 20 0 GFADRO Cc1cc(CN2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)ccc1Br ZINC000669691449 565698810 /nfs/dbraw/zinc/69/88/10/565698810.db2.gz BRYLJEJDCCVWKZ-KRWDZBQOSA-N 1 0 380.330 2.672 20 0 GFADRO CS(=O)(=O)NC1CC([NH2+]Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 ZINC000669831959 565703415 /nfs/dbraw/zinc/70/34/15/565703415.db2.gz LXFFKIPHOJKCOY-UHFFFAOYSA-N 1 0 390.349 2.894 20 0 GFADRO CCn1c(-c2cc(Br)cn2C)nnc1N1CC[N@H+](CC)[C@H](C)C1 ZINC000670067885 565713646 /nfs/dbraw/zinc/71/36/46/565713646.db2.gz DZGMEVHQBJDQEB-GFCCVEGCSA-N 1 0 381.322 2.596 20 0 GFADRO Cc1cc(Br)c(Cl)cc1NC(=O)C(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000626892999 565714277 /nfs/dbraw/zinc/71/42/77/565714277.db2.gz JTDOFJNAKPYMEH-UWVGGRQHSA-N 1 0 388.693 2.606 20 0 GFADRO Cc1cc(Cl)cc(NC(=O)C(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)c1Br ZINC000626891991 565714450 /nfs/dbraw/zinc/71/44/50/565714450.db2.gz DTTGLBXJKQYPBT-MWLCHTKSSA-N 1 0 388.693 2.606 20 0 GFADRO C[C@H]1CC[C@H](NC(=O)NCc2cc(Br)ccc2OC(F)F)C[NH2+]1 ZINC000626961880 565717176 /nfs/dbraw/zinc/71/71/76/565717176.db2.gz KHXKNGVGBOIOFQ-CABZTGNLSA-N 1 0 392.244 2.990 20 0 GFADRO CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000627008350 565719242 /nfs/dbraw/zinc/71/92/42/565719242.db2.gz GJDLITXGRQAGIY-RKLWJJNISA-N 1 0 384.318 2.965 20 0 GFADRO COc1cc(Br)ccc1CNC(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000627016450 565719750 /nfs/dbraw/zinc/71/97/50/565719750.db2.gz OBWYJGLWPIURFY-CALCHBBNSA-N 1 0 382.302 2.599 20 0 GFADRO CN(CCOCC[NH3+])C(=O)N[C@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000627016348 565720003 /nfs/dbraw/zinc/72/00/03/565720003.db2.gz KBOIXVMDZKLUHI-HNNXBMFYSA-N 1 0 388.281 2.656 20 0 GFADRO COC[C@@]1(CNC(=O)N2CC3(CC3)c3ccc(Br)cc32)CCC[NH2+]1 ZINC000627092812 565721507 /nfs/dbraw/zinc/72/15/07/565721507.db2.gz XJLDATQPKSQJSN-SFHVURJKSA-N 1 0 394.313 2.779 20 0 GFADRO O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)N1CC[C@H](Sc2ccc(Br)cc2)C1 ZINC000627094601 565722012 /nfs/dbraw/zinc/72/20/12/565722012.db2.gz GTYFYOQRFNSFEA-BYNSBNAKSA-N 1 0 382.327 2.543 20 0 GFADRO C[NH2+]CCOCCNC(=O)N[C@H]1CCCCc2cc(Br)ccc21 ZINC000627117951 565722950 /nfs/dbraw/zinc/72/29/50/565722950.db2.gz MXHZHCLXQZQGKZ-INIZCTEOSA-N 1 0 384.318 2.752 20 0 GFADRO [NH3+]C1(CNC(=O)N2CCC[C@H]2c2cccc(Br)c2)CCOCC1 ZINC000627155042 565723887 /nfs/dbraw/zinc/72/38/87/565723887.db2.gz SUFIUCAWZWXUDK-HNNXBMFYSA-N 1 0 382.302 2.804 20 0 GFADRO C[N@@H+]1CCCC[C@@H](CNC(=O)c2c(F)cccc2I)C1 ZINC000600315338 565723955 /nfs/dbraw/zinc/72/39/55/565723955.db2.gz SEYNUACSTJXHTO-NSHDSACASA-N 1 0 390.240 2.892 20 0 GFADRO CC(C)[C@H]1C[NH2+]CCN1C(=O)NCc1cc(F)c(Br)cc1F ZINC000627180855 565725255 /nfs/dbraw/zinc/72/52/55/565725255.db2.gz IVVXISDDYCGZPF-CQSZACIVSA-N 1 0 376.245 2.867 20 0 GFADRO CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)NCCc2ccc(Cl)cc2Cl)C1 ZINC000670495966 565725744 /nfs/dbraw/zinc/72/57/44/565725744.db2.gz ZOVVKTDLXDDUAZ-HNNXBMFYSA-N 1 0 386.323 2.595 20 0 GFADRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCO[C@H](c2cc(F)c(Cl)cc2Cl)C1 ZINC000627238240 565726779 /nfs/dbraw/zinc/72/67/79/565726779.db2.gz DJOKBACPMHVBQO-AMFBXLIHSA-N 1 0 376.259 2.966 20 0 GFADRO C[C@@H](CN(C)C(=O)NCCOCCC[NH3+])Oc1ccc(Cl)c(Cl)c1 ZINC000627217204 565726890 /nfs/dbraw/zinc/72/68/90/565726890.db2.gz HZMPVAYVDDMFPG-LBPRGKRZSA-N 1 0 378.300 2.768 20 0 GFADRO [NH3+]CCCOCCNC(=O)N(Cc1cc(Br)ccc1F)C1CC1 ZINC000627213800 565727194 /nfs/dbraw/zinc/72/71/94/565727194.db2.gz RQOBCRMOJJLHDN-UHFFFAOYSA-N 1 0 388.281 2.628 20 0 GFADRO C[C@@H]1[C@H](C(=O)NCC2(c3ccc(Br)cc3)CCOCC2)CC[N@@H+]1C ZINC000648760933 565727682 /nfs/dbraw/zinc/72/76/82/565727682.db2.gz VMNNAMCLSIVWSV-RHSMWYFYSA-N 1 0 395.341 2.954 20 0 GFADRO O=C([C@@H]1CCc2cc(Br)ccc21)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000648774278 565728273 /nfs/dbraw/zinc/72/82/73/565728273.db2.gz QPZXMHMQEJDGTA-KZNAEPCWSA-N 1 0 393.325 2.537 20 0 GFADRO O=C(c1cnc(-c2cccc(Cl)c2)s1)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000627269971 565729743 /nfs/dbraw/zinc/72/97/43/565729743.db2.gz ANJQILLFWREXBA-HUUCEWRRSA-N 1 0 377.897 2.745 20 0 GFADRO O=C(c1cc(F)c(Br)c(Cl)c1)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000627268083 565730544 /nfs/dbraw/zinc/73/05/44/565730544.db2.gz XGWKLMIDZSKIQJ-GHMZBOCLSA-N 1 0 391.668 2.523 20 0 GFADRO Cn1ccnc1[C@H]1C[C@H]([NH2+]Cc2cn3ccc(Br)cc3n2)CCO1 ZINC000648870636 565736137 /nfs/dbraw/zinc/73/61/37/565736137.db2.gz VDCYDQQKSKYRDT-UKRRQHHQSA-N 1 0 390.285 2.840 20 0 GFADRO C[C@@H]1CC[C@@H](NC(=O)C(=O)N(Cc2ccc(Cl)c(Cl)c2)C2CC2)C[NH2+]1 ZINC000627484423 565737268 /nfs/dbraw/zinc/73/72/68/565737268.db2.gz YDYOTCXSXJZUCS-DGCLKSJQSA-N 1 0 384.307 2.741 20 0 GFADRO COc1cc(C(=O)N[C@@H](C)C2CC[NH+](C)CC2)cc(Br)c1OC ZINC000670788037 565737324 /nfs/dbraw/zinc/73/73/24/565737324.db2.gz UGANTYWXQDRLOQ-NSHDSACASA-N 1 0 385.302 2.926 20 0 GFADRO C[C@@H]1[C@H](C(=O)N(CCn2ccnc2)Cc2ccc(Br)o2)CC[N@@H+]1C ZINC000648900203 565738166 /nfs/dbraw/zinc/73/81/66/565738166.db2.gz LDRJYAUMSJRWHR-UKRRQHHQSA-N 1 0 395.301 2.608 20 0 GFADRO O=C(NC[C@@H]1CCCC[N@H+]1CCO)c1ccc(OC(F)(F)F)c(Cl)c1 ZINC000627574676 565741449 /nfs/dbraw/zinc/74/14/49/565741449.db2.gz NEQBVRLDUVERIM-LBPRGKRZSA-N 1 0 380.794 2.815 20 0 GFADRO CCCN(C(=O)CCNC(=O)c1ccc(Br)cc1)[C@H]1CC[N@H+](C)C1 ZINC000649004167 565744041 /nfs/dbraw/zinc/74/40/41/565744041.db2.gz USXBYYUUTGIJIQ-INIZCTEOSA-N 1 0 396.329 2.512 20 0 GFADRO O=C(c1cccc(F)c1Br)N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000627742058 565749794 /nfs/dbraw/zinc/74/97/94/565749794.db2.gz GYJJHCLXCPGCJW-UHFFFAOYSA-N 1 0 385.277 2.915 20 0 GFADRO CN(Cc1c(Cl)cccc1Cl)C(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000671105458 565751469 /nfs/dbraw/zinc/75/14/69/565751469.db2.gz XJILPTRCTYWWFX-QWHCGFSZSA-N 1 0 384.307 2.695 20 0 GFADRO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000671100743 565752204 /nfs/dbraw/zinc/75/22/04/565752204.db2.gz QCLMFQODUUVTGU-HOTGVXAUSA-N 1 0 384.307 2.695 20 0 GFADRO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]Cc1nn(C)c2ccccc12 ZINC000671120602 565753232 /nfs/dbraw/zinc/75/32/32/565753232.db2.gz UJGYEMWYXMPMIN-LBPRGKRZSA-N 1 0 375.270 2.676 20 0 GFADRO Cc1ccc(NC(=O)C(=O)NC[C@H]2CCCC[N@@H+](C)C2)cc1Br ZINC000627829066 565754474 /nfs/dbraw/zinc/75/44/74/565754474.db2.gz UMOMFABYWSWNSA-CYBMUJFWSA-N 1 0 382.302 2.544 20 0 GFADRO COC1CC(C(=O)Nc2cc(Br)ccc2N(C)CC[NH+](C)C)C1 ZINC000627837351 565756160 /nfs/dbraw/zinc/75/61/60/565756160.db2.gz RSZGFOJPMMTNDX-UHFFFAOYSA-N 1 0 384.318 2.810 20 0 GFADRO Cc1nc(-c2cccc(Cl)c2)sc1C(=O)N(C)CCN1CC[NH2+]CC1 ZINC000649271195 565757002 /nfs/dbraw/zinc/75/70/02/565757002.db2.gz AWJZHIJRIXZDBX-UHFFFAOYSA-N 1 0 378.929 2.749 20 0 GFADRO C[C@@]([NH3+])(C(=O)NCCN1Cc2ccccc2C1)c1ccc(Br)cc1 ZINC000649306391 565758979 /nfs/dbraw/zinc/75/89/79/565758979.db2.gz ONHZTKMHVDIFSB-IBGZPJMESA-N 1 0 388.309 2.755 20 0 GFADRO COC(=O)[C@@H]1CCC[C@H](n2cc([C@@H]([NH3+])c3ccc(Br)cc3)nn2)C1 ZINC000600979659 565761200 /nfs/dbraw/zinc/76/12/00/565761200.db2.gz KSECZQQLPMDJOV-INWMFGNUSA-N 1 0 393.285 2.993 20 0 GFADRO O=C(NCC1CC[NH+](C2CCOCC2)CC1)c1cc(O)cc(Br)c1 ZINC000628039915 565770622 /nfs/dbraw/zinc/77/06/22/565770622.db2.gz IXOBILQNNNVZGM-UHFFFAOYSA-N 1 0 397.313 2.776 20 0 GFADRO Cc1cc(CN2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)ncc1Br ZINC000628186354 565778894 /nfs/dbraw/zinc/77/88/94/565778894.db2.gz HGPUJFDWFBECJN-YJBOKZPZSA-N 1 0 381.362 2.610 20 0 GFADRO Cc1[nH]c(=O)c(Br)cc1C(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000671693781 565779829 /nfs/dbraw/zinc/77/98/29/565779829.db2.gz VPLRUBIRISOMQF-CYBMUJFWSA-N 1 0 382.302 2.949 20 0 GFADRO CC[C@H]1CN(S(C)(=O)=O)CC[C@H]1[NH2+]CCc1cccc(C(F)(F)F)c1 ZINC000628220281 565780906 /nfs/dbraw/zinc/78/09/06/565780906.db2.gz RHGMNZWNSDPFTJ-GOEBONIOSA-N 1 0 378.460 2.898 20 0 GFADRO COc1cc(C)c(Br)cc1C(=O)NCC[NH+]1CCC(OC)CC1 ZINC000671766080 565785304 /nfs/dbraw/zinc/78/53/04/565785304.db2.gz VJYRHHDIRSQIMQ-UHFFFAOYSA-N 1 0 385.302 2.607 20 0 GFADRO CO[C@H](CC(=O)NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1)C(F)(F)F ZINC000649961667 565789473 /nfs/dbraw/zinc/78/94/73/565789473.db2.gz SHKMCTBAMMZQCN-HUUCEWRRSA-N 1 0 376.444 2.688 20 0 GFADRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)CNC(=O)c1ccc(Cl)c(Cl)c1 ZINC000671871029 565790343 /nfs/dbraw/zinc/79/03/43/565790343.db2.gz JWUWDTDOLAZTRJ-OCCSQVGLSA-N 1 0 384.307 2.808 20 0 GFADRO C[C@@H]1CN(C(=O)Nc2cc(F)c(I)c(F)c2)C[C@H]1C[NH3+] ZINC000601558862 565791493 /nfs/dbraw/zinc/79/14/93/565791493.db2.gz KTXSAGMODXYZMP-HTQZYQBOSA-N 1 0 395.191 2.628 20 0 GFADRO CC[C@@H]1[C@@H](C(=O)Nc2ccc(OC)cc2I)CC[N@@H+]1C ZINC000601541478 565791583 /nfs/dbraw/zinc/79/15/83/565791583.db2.gz WZYNEDSZTAUEMG-SMDDNHRTSA-N 1 0 388.249 2.969 20 0 GFADRO CNS(=O)(=O)C[C@H]1CCC[N@H+](Cc2ccc(-c3scnc3C)cc2)C1 ZINC000628495907 565791627 /nfs/dbraw/zinc/79/16/27/565791627.db2.gz CLZJQZYIMSRYRZ-INIZCTEOSA-N 1 0 379.551 2.880 20 0 GFADRO C[C@H](NC(=O)C(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C)c1ccsc1 ZINC000671985258 565792187 /nfs/dbraw/zinc/79/21/87/565792187.db2.gz BEXIXOCSVZMISQ-LRDDRELGSA-N 1 0 379.913 2.998 20 0 GFADRO C[C@H]1C[C@@H]([NH3+])CN1C(=O)Nc1cc(F)c(F)cc1I ZINC000601562362 565792512 /nfs/dbraw/zinc/79/25/12/565792512.db2.gz SPGHNLAQBRHYQJ-NKWVEPMBSA-N 1 0 381.164 2.523 20 0 GFADRO CC1([NH+]2CCCC2)CCN(C(=O)c2cncc(I)c2)CC1 ZINC000601740703 565800279 /nfs/dbraw/zinc/80/02/79/565800279.db2.gz XISOZEWSLKEVAV-UHFFFAOYSA-N 1 0 399.276 2.777 20 0 GFADRO CC(C)C[N@H+](C)CCCNC(=O)CSc1nnc(-c2cccs2)n1C ZINC000650178174 565802840 /nfs/dbraw/zinc/80/28/40/565802840.db2.gz DKYRLRHVCXZPDS-UHFFFAOYSA-N 1 0 381.571 2.730 20 0 GFADRO CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@@]1(CO)CCc2cc(Br)ccc2C1 ZINC000628682674 565803062 /nfs/dbraw/zinc/80/30/62/565803062.db2.gz PPDSEMIOEFUEGF-YJYMSZOUSA-N 1 0 397.357 2.952 20 0 GFADRO OC[C@H](c1ccc(Cl)cc1)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000601774817 565803405 /nfs/dbraw/zinc/80/34/05/565803405.db2.gz UTTKAISOIIZYCA-MRXNPFEDSA-N 1 0 380.838 2.960 20 0 GFADRO CN(C[C@H]1CCC[N@H+](C)C1)S(=O)(=O)Cc1ccccc1Br ZINC000672384699 565805320 /nfs/dbraw/zinc/80/53/20/565805320.db2.gz BLLRPXKCCWQOCB-ZDUSSCGKSA-N 1 0 375.332 2.553 20 0 GFADRO C[N@@H+]1CCCC[C@H](CNC(=O)c2cc(Br)cc3c2OCCO3)C1 ZINC000628753603 565806532 /nfs/dbraw/zinc/80/65/32/565806532.db2.gz FGIAIMMSZUNQKN-GFCCVEGCSA-N 1 0 383.286 2.682 20 0 GFADRO C[N@@H+]1CCCC[C@H](CNC(=O)C(C)(C)S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000628754687 565806704 /nfs/dbraw/zinc/80/67/04/565806704.db2.gz QIOKEBDWCYCGKC-CQSZACIVSA-N 1 0 386.945 2.740 20 0 GFADRO CCCC[C@H](NC(N)=O)C(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000628968599 565817362 /nfs/dbraw/zinc/81/73/62/565817362.db2.gz KOPFPIFZEWJUDP-GJZGRUSLSA-N 1 0 389.327 2.939 20 0 GFADRO CC[NH+]1CCC(NC(=O)c2ccc3[nH]cc(I)c3c2)CC1 ZINC000602042469 565817713 /nfs/dbraw/zinc/81/77/13/565817713.db2.gz XBPTZZBWESUWCL-UHFFFAOYSA-N 1 0 397.260 2.987 20 0 GFADRO C[NH+](C)CCn1nnnc1SCc1ccc(Br)c(F)c1F ZINC000629135017 565825534 /nfs/dbraw/zinc/82/55/34/565825534.db2.gz KRIKELLABURSHS-UHFFFAOYSA-N 1 0 378.246 2.568 20 0 GFADRO O=C(NCCCCc1ccc(Cl)s1)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000673064456 565826340 /nfs/dbraw/zinc/82/63/40/565826340.db2.gz GCVIHBIUGWUNDR-CVEARBPZSA-N 1 0 385.961 2.965 20 0 GFADRO O=C(CCCc1cccc(Br)c1)NC[C@H]1CCC[N@H+]1CCCO ZINC000650583421 565828588 /nfs/dbraw/zinc/82/85/88/565828588.db2.gz NXYHHEOGVHKZRM-QGZVFWFLSA-N 1 0 383.330 2.735 20 0 GFADRO CSc1cc(C(=O)N2CC[C@@H]([N@@H+]3CC[C@H](O)C3)C2)c(Cl)cc1Cl ZINC000673513983 565838681 /nfs/dbraw/zinc/83/86/81/565838681.db2.gz DTDMSAHLWSUNLK-MNOVXSKESA-N 1 0 375.321 2.996 20 0 GFADRO O=C(CCc1cc(Cl)ccc1Br)N[C@@H](CO)C[NH+]1CCCC1 ZINC000673533341 565839084 /nfs/dbraw/zinc/83/90/84/565839084.db2.gz ZMVAKXMWXODAOH-CQSZACIVSA-N 1 0 389.721 2.608 20 0 GFADRO CN(C)S(=O)(=O)N1CCC[C@@H]([NH2+]Cc2ccc(-c3ccccc3)s2)C1 ZINC000673611121 565843464 /nfs/dbraw/zinc/84/34/64/565843464.db2.gz GSICMQWMEACDPY-MRXNPFEDSA-N 1 0 379.551 2.776 20 0 GFADRO C[S@@](=O)C1(C(=O)NCC2(c3ccc(Cl)cc3)CCCC2)CC[NH2+]CC1 ZINC000602454863 565849019 /nfs/dbraw/zinc/84/90/19/565849019.db2.gz RSZABAYDXFPWJV-RUZDIDTESA-N 1 0 382.957 2.769 20 0 GFADRO C[S@@](=O)C1(C(=O)Nc2nc(/C=C\c3ccccc3)cs2)CC[NH2+]CC1 ZINC000602467324 565849864 /nfs/dbraw/zinc/84/98/64/565849864.db2.gz XGNPCKBNHMZLOA-CNXHMKESSA-N 1 0 375.519 2.753 20 0 GFADRO Ic1ccc(CN2CC[C@H](C[NH+]3CCOCC3)C2)s1 ZINC000602474887 565849930 /nfs/dbraw/zinc/84/99/30/565849930.db2.gz IUQHKXWLZIJLKQ-GFCCVEGCSA-N 1 0 392.306 2.507 20 0 GFADRO CCC1([NH+]2CCOCC2)CCN(C(=O)c2ccncc2Br)CC1 ZINC000629418572 565850684 /nfs/dbraw/zinc/85/06/84/565850684.db2.gz RABAEYFOANQIER-UHFFFAOYSA-N 1 0 382.302 2.561 20 0 GFADRO CC(C)C[N@H+](C)CCCNC(=O)N[C@@H](CO)c1ccc(Br)cc1 ZINC000651194004 565851020 /nfs/dbraw/zinc/85/10/20/565851020.db2.gz PSTGVYKMJVVURA-INIZCTEOSA-N 1 0 386.334 2.760 20 0 GFADRO Cc1cc(C(=O)NCC2([NH3+])CCC2)c(I)cc1Cl ZINC000602481993 565851368 /nfs/dbraw/zinc/85/13/68/565851368.db2.gz DCMKRGSADYPUGR-UHFFFAOYSA-N 1 0 378.641 2.864 20 0 GFADRO CN(C)c1nc(CNC(=O)NC[C@H](c2ccc(Cl)cc2)[NH+](C)C)cs1 ZINC000673880336 565851725 /nfs/dbraw/zinc/85/17/25/565851725.db2.gz OEMFJDYKVVFPJQ-OAHLLOKOSA-N 1 0 381.933 2.965 20 0 GFADRO COCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCOc3ccc(Br)cc32)C1 ZINC000651273695 565853155 /nfs/dbraw/zinc/85/31/55/565853155.db2.gz VSPGQFBKZRMSTK-LSDHHAIUSA-N 1 0 397.313 2.542 20 0 GFADRO O=C(CCC[S@@](=O)c1ccc(Br)cc1)N[C@@H]1CC[NH2+]C12CCC2 ZINC000602529086 565853567 /nfs/dbraw/zinc/85/35/67/565853567.db2.gz DRXBGJMXSVUBCE-IQMFZBJNSA-N 1 0 399.354 2.738 20 0 GFADRO C[C@@H]1CC[C@H](NC(=O)c2cc(Cl)ccc2I)C[NH2+]1 ZINC000602553921 565855220 /nfs/dbraw/zinc/85/52/20/565855220.db2.gz LEPUNRZLOREQEM-SCZZXKLOSA-N 1 0 378.641 2.815 20 0 GFADRO C[C@@H]1CC[C@@H](NC(=O)c2cc(Cl)ccc2I)C[NH2+]1 ZINC000602553919 565855440 /nfs/dbraw/zinc/85/54/40/565855440.db2.gz LEPUNRZLOREQEM-PSASIEDQSA-N 1 0 378.641 2.815 20 0 GFADRO Cc1csc(C(=O)N[C@H]2CC[C@H](C[NH3+])CC2)c1I ZINC000602600286 565856379 /nfs/dbraw/zinc/85/63/79/565856379.db2.gz UZMLHFSNPBUKKV-MGCOHNPYSA-N 1 0 378.279 2.908 20 0 GFADRO Cc1ccc(CNC(=O)c2cnn3c2[C@@H](C[NH3+])CCC3)cc1Br ZINC000602610282 565857233 /nfs/dbraw/zinc/85/72/33/565857233.db2.gz SIYQEPOHPXHMTF-CYBMUJFWSA-N 1 0 377.286 2.720 20 0 GFADRO CO[C@@H](C[NH2+]Cc1ccc(I)c(C)c1)[C@H]1CCOC1 ZINC000602646223 565859424 /nfs/dbraw/zinc/85/94/24/565859424.db2.gz AXTGREOWBBQUKH-ZFWWWQNUSA-N 1 0 375.250 2.741 20 0 GFADRO C[C@]12C[NH2+]C[C@@]1(C)CN(CCC(=O)Nc1ccc(Br)cc1F)C2 ZINC000629593712 565861965 /nfs/dbraw/zinc/86/19/65/565861965.db2.gz JAFIWNRSGAUIJC-CALCHBBNSA-N 1 0 384.293 2.848 20 0 GFADRO COc1cc2[nH+]ccc(NCC[C@@]3(O)CCCOC3)c2cc1Br ZINC000651469930 565864485 /nfs/dbraw/zinc/86/44/85/565864485.db2.gz DWWLSKMYNVNYLJ-KRWDZBQOSA-N 1 0 381.270 2.771 20 0 GFADRO COC1CC[NH+](CCNC(=O)N[C@H]2C[C@H]2c2cccc(Br)c2)CC1 ZINC000674328469 565869296 /nfs/dbraw/zinc/86/92/96/565869296.db2.gz PSGYFEMEEVMBJK-IRXDYDNUSA-N 1 0 396.329 2.715 20 0 GFADRO Cc1cc(Br)sc1S(=O)(=O)N(C)[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000651576810 565874845 /nfs/dbraw/zinc/87/48/45/565874845.db2.gz SPFMTVHNVHZLSN-QWRGUYRKSA-N 1 0 381.361 2.780 20 0 GFADRO Cc1cc(Br)sc1S(=O)(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000651607271 565878791 /nfs/dbraw/zinc/87/87/91/565878791.db2.gz JCIBIWVPFMGPTB-NEPJUHHUSA-N 1 0 393.372 2.924 20 0 GFADRO C[NH2+]C1(CNC(=O)[C@@H]2CC(=O)N(C)[C@H]2c2ccc(Cl)c(Cl)c2)CCC1 ZINC000630003696 565879188 /nfs/dbraw/zinc/87/91/88/565879188.db2.gz DMGMVXRWLDLVJI-WBMJQRKESA-N 1 0 384.307 2.771 20 0 GFADRO O[C@@H](C[N@H+]1CC=C(c2cccc(Br)c2)CC1)CC1(O)CCOCC1 ZINC000630043180 565880764 /nfs/dbraw/zinc/88/07/64/565880764.db2.gz KCILKLCSOQEHTP-GOSISDBHSA-N 1 0 396.325 2.831 20 0 GFADRO CC[C@@H]1Cc2c(Br)cccc2C[N@@H+]1C[C@@H](O)CC1(O)CCOCC1 ZINC000630041205 565880964 /nfs/dbraw/zinc/88/09/64/565880964.db2.gz KMSUMFIGNBUNNI-CVEARBPZSA-N 1 0 398.341 2.878 20 0 GFADRO CC[NH+](CC)CCOCCNC(=O)[C@@H]1CCOc2ccc(Br)cc21 ZINC000651721594 565889070 /nfs/dbraw/zinc/88/90/70/565889070.db2.gz JWYPZRZJENTYDU-OAHLLOKOSA-N 1 0 399.329 2.790 20 0 GFADRO C[C@H](C(=O)OC(C)(C)C)n1cc([C@H]([NH3+])c2ccc(Br)cc2)nn1 ZINC000603201162 565890381 /nfs/dbraw/zinc/89/03/81/565890381.db2.gz FZRKQHUOSRKTNV-QMTHXVAHSA-N 1 0 381.274 2.991 20 0 GFADRO CC(C)C[N@H+](C)CCCNS(=O)(=O)Cc1cccc(Br)c1 ZINC000651768993 565892863 /nfs/dbraw/zinc/89/28/63/565892863.db2.gz MLMYPXASYMRSPL-UHFFFAOYSA-N 1 0 377.348 2.846 20 0 GFADRO COc1cc(OC)c(C[NH2+]CCn2cc(Br)ccc2=O)cc1F ZINC000651819085 565896293 /nfs/dbraw/zinc/89/62/93/565896293.db2.gz OVWNJJVMDGSAEV-UHFFFAOYSA-N 1 0 385.233 2.557 20 0 GFADRO C[NH+](C)C[C@@H]1CN(S(=O)(=O)c2ccc(F)cc2Cl)c2ccccc2O1 ZINC000675469399 565904817 /nfs/dbraw/zinc/90/48/17/565904817.db2.gz LEEJBQZRTVNPRT-CYBMUJFWSA-N 1 0 384.860 2.997 20 0 GFADRO C[NH+](C)C[C@@H]1CN(S(=O)(=O)c2cccc(Cl)c2F)c2ccccc2O1 ZINC000675469420 565905013 /nfs/dbraw/zinc/90/50/13/565905013.db2.gz LOFXFGVSPPIUCP-GFCCVEGCSA-N 1 0 384.860 2.997 20 0 GFADRO CSc1ncc(Cl)c(C(=O)N2C[C@@H](C[NH+](C)C)Oc3ccccc32)n1 ZINC000675511655 565907147 /nfs/dbraw/zinc/90/71/47/565907147.db2.gz QIPFMPYYULQQRP-LLVKDONJSA-N 1 0 378.885 2.821 20 0 GFADRO CCN1C[C@@H](C[NH2+]Cc2cc(Br)c3c(c2)OCCCO3)CC1=O ZINC000652000954 565909293 /nfs/dbraw/zinc/90/92/93/565909293.db2.gz JJRWAVURSOGDOU-CYBMUJFWSA-N 1 0 383.286 2.568 20 0 GFADRO O=C(Nc1ccc(Br)cc1Cl)N1CCC([NH2+]CCO)CC1 ZINC000630580020 565910227 /nfs/dbraw/zinc/91/02/27/565910227.db2.gz BCMREOGDUNMGNA-UHFFFAOYSA-N 1 0 376.682 2.681 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)c1c(F)cncc1Br)Cc1ccccc1 ZINC000630576982 565910845 /nfs/dbraw/zinc/91/08/45/565910845.db2.gz RZGJYWZPIHRVFF-ZDUSSCGKSA-N 1 0 380.261 2.886 20 0 GFADRO CN(C(=O)Nc1nnc(C2CC2)s1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000652048945 565913043 /nfs/dbraw/zinc/91/30/43/565913043.db2.gz UTRXQIKENIWEDE-UHFFFAOYSA-N 1 0 377.436 3.296 20 0 GFADRO C[C@@H](Cc1ccc(Br)cc1)NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC000630750802 565917942 /nfs/dbraw/zinc/91/79/42/565917942.db2.gz SWOWYKCQYDIROV-ZDUSSCGKSA-N 1 0 379.302 2.568 20 0 GFADRO CC(C)(COc1ncc(Cl)cc1Cl)NC(=O)NCCC1(C[NH3+])CC1 ZINC000652237987 565919220 /nfs/dbraw/zinc/91/92/20/565919220.db2.gz NCOOYNYLLJNTFS-UHFFFAOYSA-N 1 0 375.300 2.974 20 0 GFADRO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)c1ccc2cncc(Br)c2n1 ZINC000630794776 565920833 /nfs/dbraw/zinc/92/08/33/565920833.db2.gz AOJKTJWMBAJLAT-LLVKDONJSA-N 1 0 375.270 2.606 20 0 GFADRO C[C@H]1CCCN(CC(=O)N(C)Cc2cc(Br)cs2)[C@H]1CC[NH3+] ZINC000652354566 565925060 /nfs/dbraw/zinc/92/50/60/565925060.db2.gz BWWIAMZAHVIGKC-WFASDCNBSA-N 1 0 388.375 2.918 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(S(=O)(=O)c3cc(Cl)sc3Cl)C2)C1 ZINC000652375214 565925289 /nfs/dbraw/zinc/92/52/89/565925289.db2.gz LJCGJEVQVFHIOY-AXFHLTTASA-N 1 0 399.365 2.962 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(S(=O)(=O)Cc3ccc(F)c(Cl)c3)C2)C1 ZINC000652374415 565925316 /nfs/dbraw/zinc/92/53/16/565925316.db2.gz QSTQOZICFDNRAC-VBQJREDUSA-N 1 0 390.908 2.527 20 0 GFADRO Cc1cc(Br)sc1S(=O)(=O)N1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000652376795 565925381 /nfs/dbraw/zinc/92/53/81/565925381.db2.gz GZIYCQREEHGCBE-KOLCDFICSA-N 1 0 381.361 2.957 20 0 GFADRO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCN(S(=O)(=O)c3c(Cl)ccc(F)c3F)C2)C1 ZINC000652374219 565925692 /nfs/dbraw/zinc/92/56/92/565925692.db2.gz MBSQBJOXXVOYSU-JTNHKYCSSA-N 1 0 394.871 2.525 20 0 GFADRO CN1CCC([N@@H+]2CC[C@H](NC(=O)Nc3ccc(Br)cc3)C2)CC1 ZINC000604209552 565926097 /nfs/dbraw/zinc/92/60/97/565926097.db2.gz QEBGKPWUQKYABP-HNNXBMFYSA-N 1 0 381.318 2.739 20 0 GFADRO O=S(=O)(Cc1ccc(Br)cc1Cl)NCCC1CC[NH2+]CC1 ZINC000652384886 565927545 /nfs/dbraw/zinc/92/75/45/565927545.db2.gz RXJLYGDDQZHTOG-UHFFFAOYSA-N 1 0 395.750 2.912 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2S(=O)(=O)c2ccc(Cl)c(F)c2)C1 ZINC000652383178 565927823 /nfs/dbraw/zinc/92/78/23/565927823.db2.gz DSECFIIOKSSBDL-RLCCDNCMSA-N 1 0 376.881 2.529 20 0 GFADRO CC[NH+]1CCC(CNC(=O)C(=O)Nc2c(C)cc(C)cc2Br)CC1 ZINC000676272474 565931461 /nfs/dbraw/zinc/93/14/61/565931461.db2.gz SSIMCZKVZAJOFZ-UHFFFAOYSA-N 1 0 396.329 2.853 20 0 GFADRO C[NH+](C)C[C@H]1CCCCN1C(=O)c1cc(F)ccc1I ZINC000604562870 565932538 /nfs/dbraw/zinc/93/25/38/565932538.db2.gz JUPBHOYYUHXPRO-GFCCVEGCSA-N 1 0 390.240 2.987 20 0 GFADRO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCN(C(=O)Nc3cncc(Br)c3)C2)C1 ZINC000652586995 565934457 /nfs/dbraw/zinc/93/44/57/565934457.db2.gz SDQHIGJIZZGRRU-NJZAAPMLSA-N 1 0 383.290 2.594 20 0 GFADRO [NH3+]CC1(CCNC(=O)C(=O)Nc2cccc(Cl)c2SCC(F)F)CC1 ZINC000652634425 565935905 /nfs/dbraw/zinc/93/59/05/565935905.db2.gz BNWHPQCLXPJDHO-UHFFFAOYSA-N 1 0 391.871 2.881 20 0 GFADRO O=C(NCCC1CC[NH2+]CC1)Nc1ccc2nccnc2c1Br ZINC000652605881 565936004 /nfs/dbraw/zinc/93/60/04/565936004.db2.gz WWWGZDVPIGZNRO-UHFFFAOYSA-N 1 0 378.274 2.904 20 0 GFADRO Fc1ccc(Br)cc1CC[NH2+]Cc1cn(C[C@@H]2CCOC2)nn1 ZINC000631053484 565936901 /nfs/dbraw/zinc/93/69/01/565936901.db2.gz XBEOBHQAFVYMJP-LBPRGKRZSA-N 1 0 383.265 2.549 20 0 GFADRO COc1cc(CNCC2([NH+](C)C)CCOCC2)c(F)cc1Br ZINC000631071312 565938350 /nfs/dbraw/zinc/93/83/50/565938350.db2.gz GQOYACHOMZNCNR-UHFFFAOYSA-N 1 0 375.282 2.797 20 0 GFADRO CCc1cc(N2CCC[C@H]([NH2+]Cc3ccncc3Br)C2)ncn1 ZINC000631072427 565938709 /nfs/dbraw/zinc/93/87/09/565938709.db2.gz VJOIHFZUKDZBNL-HNNXBMFYSA-N 1 0 376.302 2.955 20 0 GFADRO NC(=O)[C@H](C[NH2+]Cc1ccncc1Br)Cc1ccccc1Cl ZINC000631107962 565941443 /nfs/dbraw/zinc/94/14/43/565941443.db2.gz JHLHHURMLSRNND-ZDUSSCGKSA-N 1 0 382.689 2.931 20 0 GFADRO CN1CC[C@H]([NH2+]Cc2ccc(Cl)c(S(N)(=O)=O)c2)[C@H]1c1ccccc1 ZINC000631103216 565941634 /nfs/dbraw/zinc/94/16/34/565941634.db2.gz XMOFWTPTCXBWGV-FUHWJXTLSA-N 1 0 379.913 2.522 20 0 GFADRO NS(=O)(=O)c1cc(C[NH2+][C@@H]2CCO[C@H](c3ccccc3)C2)ccc1Cl ZINC000631113978 565943310 /nfs/dbraw/zinc/94/33/10/565943310.db2.gz TYEDMEFSJCZMEX-WBVHZDCISA-N 1 0 380.897 2.997 20 0 GFADRO OCCOC1(C[NH2+]Cc2cccc(Br)c2Cl)CCOCC1 ZINC000631128378 565943424 /nfs/dbraw/zinc/94/34/24/565943424.db2.gz MBAMMTJSDRZPNW-UHFFFAOYSA-N 1 0 378.694 2.750 20 0 GFADRO COc1cc(C[NH2+][C@H]2CCCN(CCCO)C2)c(F)cc1Br ZINC000631147159 565944590 /nfs/dbraw/zinc/94/45/90/565944590.db2.gz NWHUZVAFGCZNFF-ZDUSSCGKSA-N 1 0 375.282 2.533 20 0 GFADRO CN1CCN(C(=O)c2ncc(Br)s2)[C@@H](Cc2ccccc2)C1 ZINC000652882437 565944849 /nfs/dbraw/zinc/94/48/49/565944849.db2.gz SZCIQUOYGOJHLB-ZDUSSCGKSA-N 1 0 380.311 2.905 20 0 GFADRO COc1ccc([C@H]([NH2+]Cc2ccc(Cl)c(S(N)(=O)=O)c2)C2CC2)cn1 ZINC000631185849 565947392 /nfs/dbraw/zinc/94/73/92/565947392.db2.gz PHBQGJABOIEQKD-QGZVFWFLSA-N 1 0 381.885 2.632 20 0 GFADRO CC[N@H+](CCNC(=O)C(=O)Nc1ccc(OC(F)F)c(Cl)c1)C(C)C ZINC000605247196 565948968 /nfs/dbraw/zinc/94/89/68/565948968.db2.gz IHGZOQZHEDAYBP-UHFFFAOYSA-N 1 0 377.819 2.726 20 0 GFADRO CN(C)C(=O)N1CCC([NH2+][C@@H]2[C@H]3Cc4cc(Br)ccc4[C@@H]23)CC1 ZINC000631221112 565950108 /nfs/dbraw/zinc/95/01/08/565950108.db2.gz DGGBUDYYHYGMHT-GVDBMIGSSA-N 1 0 378.314 2.823 20 0 GFADRO C[C@@H](CNC(=O)c1cccc2c(Br)cccc12)N1CC[NH+](C)CC1 ZINC000631277362 565952197 /nfs/dbraw/zinc/95/21/97/565952197.db2.gz FWINVWCVVXZZRZ-AWEZNQCLSA-N 1 0 390.325 2.968 20 0 GFADRO O=C(NC1(c2ccc(Br)cc2)CCOCC1)[C@H]1CCC[NH2+]CC1 ZINC000653076296 565952831 /nfs/dbraw/zinc/95/28/31/565952831.db2.gz QMEPDNKYGZFLQE-AWEZNQCLSA-N 1 0 381.314 2.961 20 0 GFADRO C[NH+](C)C1(CNC(=O)[C@@H]2C[C@]2(C)c2cccc(Br)c2)CCOCC1 ZINC000631307979 565953197 /nfs/dbraw/zinc/95/31/97/565953197.db2.gz LMEHOJQNSNPQLJ-FUHWJXTLSA-N 1 0 395.341 2.954 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653058719 565953387 /nfs/dbraw/zinc/95/33/87/565953387.db2.gz CVOZTAMTJNMROL-HOTGVXAUSA-N 1 0 394.313 2.685 20 0 GFADRO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)Cn1c(C)c(Br)c2ccccc21 ZINC000653138374 565956141 /nfs/dbraw/zinc/95/61/41/565956141.db2.gz YOOHMUXYLLTBDJ-STQMWFEESA-N 1 0 382.277 2.871 20 0 GFADRO COCC[NH2+]C1CCN(C(=O)c2c(F)cc(Br)cc2F)CC1 ZINC000653180744 565957207 /nfs/dbraw/zinc/95/72/07/565957207.db2.gz QXELQNKLRFPABX-UHFFFAOYSA-N 1 0 377.229 2.568 20 0 GFADRO COCC[NH2+]C1CCN(C(=O)CCc2cc(Br)cs2)CC1 ZINC000653180395 565957307 /nfs/dbraw/zinc/95/73/07/565957307.db2.gz IANQALQFDVIBGW-UHFFFAOYSA-N 1 0 375.332 2.670 20 0 GFADRO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCN(C(=O)Cc3ccc(F)c(Br)c3)C2)C1 ZINC000653187829 565958569 /nfs/dbraw/zinc/95/85/69/565958569.db2.gz BXDSVHLTZKDARN-JJRVBVJISA-N 1 0 399.304 2.876 20 0 GFADRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1ccc2cncc(Br)c2n1 ZINC000631465164 565958669 /nfs/dbraw/zinc/95/86/69/565958669.db2.gz LXLKHVRNWQSWHB-IAQYHMDHSA-N 1 0 377.286 2.805 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(Br)c3nccn3c2)[C@@H](C)C1 ZINC000631466941 565958895 /nfs/dbraw/zinc/95/88/95/565958895.db2.gz SIBLJHYENCPMRP-SWLSCSKDSA-N 1 0 379.302 2.899 20 0 GFADRO [NH3+]CC1(CCNC(=O)c2nn(-c3ccc(F)cc3)cc2Br)CC1 ZINC000653219796 565959505 /nfs/dbraw/zinc/95/95/05/565959505.db2.gz QZOBLKXZILGILF-UHFFFAOYSA-N 1 0 381.249 2.633 20 0 GFADRO COc1ccc(C(=O)N2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)cc1Br ZINC000653265039 565960583 /nfs/dbraw/zinc/96/05/83/565960583.db2.gz KKKIDCOPQNHGCD-FRFSOERESA-N 1 0 397.313 2.959 20 0 GFADRO O=C(NCCC1CC[NH2+]CC1)C1CCN(C(=O)c2ccc(Cl)s2)CC1 ZINC000653270191 565960982 /nfs/dbraw/zinc/96/09/82/565960982.db2.gz HRNCYMHYUMAXEM-UHFFFAOYSA-N 1 0 383.945 2.760 20 0 GFADRO O=C(NCCC1CC[NH2+]CC1)[C@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1 ZINC000653270091 565961320 /nfs/dbraw/zinc/96/13/20/565961320.db2.gz DFCHHLNETFAAFN-ZDUSSCGKSA-N 1 0 384.307 2.852 20 0 GFADRO C[C@H]1C[C@@H]([NH3+])CCN1S(=O)(=O)Cc1ccc(Br)cc1Cl ZINC000653279109 565961343 /nfs/dbraw/zinc/96/13/43/565961343.db2.gz FORJTMVSNGDDAU-CABZTGNLSA-N 1 0 381.723 2.744 20 0 GFADRO C[C@@H](NS(=O)(=O)CCCN1CC[NH+](C)CC1)c1ccc(Cl)cc1Cl ZINC000631655058 565965212 /nfs/dbraw/zinc/96/52/12/565965212.db2.gz MFAZBLAUMZCCFG-CYBMUJFWSA-N 1 0 394.368 2.611 20 0 GFADRO C[C@H]([NH2+][C@@H](CCO)c1ccc(Cl)c(F)c1)c1ccc(S(N)(=O)=O)cc1 ZINC000631660422 565966029 /nfs/dbraw/zinc/96/60/29/565966029.db2.gz PJCCJUOSPOZHCK-GTNSWQLSSA-N 1 0 386.876 2.901 20 0 GFADRO COc1ccc(Br)cc1CNC(=O)N[C@@H](C)C1CC[NH+](C)CC1 ZINC000606662096 565968329 /nfs/dbraw/zinc/96/83/29/565968329.db2.gz MRMJGZWEJSNHKD-LBPRGKRZSA-N 1 0 384.318 2.987 20 0 GFADRO CS(=O)(=O)N[C@H]1CCC[N@@H+]([C@H](c2ccc(Cl)cc2)C2CCOCC2)C1 ZINC000653535255 565971988 /nfs/dbraw/zinc/97/19/88/565971988.db2.gz MGLBTYUATQMIDB-ZWKOTPCHSA-N 1 0 386.945 2.821 20 0 GFADRO O=c1[nH]c2ccc(S(=O)(=O)N3CCC([NH+]4CCCCC4)CC3)cc2s1 ZINC000631767171 565972239 /nfs/dbraw/zinc/97/22/39/565972239.db2.gz GSRITCYGBVACNI-UHFFFAOYSA-N 1 0 381.523 2.641 20 0 GFADRO COCC[N@H+](C)C[C@H](O)CN1CCC[C@@H]1c1cc(F)cc(Br)c1 ZINC000653618745 565974060 /nfs/dbraw/zinc/97/40/60/565974060.db2.gz WLCMYHRLEYPPGQ-DLBZAZTESA-N 1 0 389.309 2.664 20 0 GFADRO C[N@H+](CCNS(=O)(=O)Cc1ncsc1Br)C1CCCCC1 ZINC000631813774 565977129 /nfs/dbraw/zinc/97/71/29/565977129.db2.gz YOQKIGWAZXHJON-UHFFFAOYSA-N 1 0 396.376 2.590 20 0 GFADRO CN(CC(C)(C)C[NH3+])S(=O)(=O)c1cnc2c(Br)csc2c1 ZINC000631907470 565982266 /nfs/dbraw/zinc/98/22/66/565982266.db2.gz LGTISQWCBGCRPS-UHFFFAOYSA-N 1 0 392.344 2.664 20 0 GFADRO COCC[N@H+](CCC(=O)Nc1ccc(Cl)cc1F)C[C@H](O)C(F)(F)F ZINC000653790572 565982672 /nfs/dbraw/zinc/98/26/72/565982672.db2.gz RGFADXPFGYNZQN-ZDUSSCGKSA-N 1 0 386.773 2.679 20 0 GFADRO C[C@H](c1cccs1)N(Cc1ccccc1)S(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000631916050 565983327 /nfs/dbraw/zinc/98/33/27/565983327.db2.gz RZETZGWGJPJVQM-WBVHZDCISA-N 1 0 380.535 2.630 20 0 GFADRO C[C@@H](CNS(=O)(=O)N(C)C1CC[NH2+]CC1)c1c(Cl)cccc1Cl ZINC000631916665 565983620 /nfs/dbraw/zinc/98/36/20/565983620.db2.gz BCMHJPAQIROMMX-NSHDSACASA-N 1 0 380.341 2.615 20 0 GFADRO CCOCCC[N@@H+]1CC[C@H](NS(=O)(=O)c2ccc(C(F)F)o2)[C@H](C)C1 ZINC000631977981 565987509 /nfs/dbraw/zinc/98/75/09/565987509.db2.gz YFPCBCLJPUSZDJ-OLZOCXBDSA-N 1 0 380.457 2.633 20 0 GFADRO C[C@H]1C[C@H](NC(=O)Cc2csc(NC(=O)c3cccs3)n2)CC[N@@H+]1C ZINC000607688304 565987718 /nfs/dbraw/zinc/98/77/18/565987718.db2.gz YQBZWJORJRXMFS-NWDGAFQWSA-N 1 0 378.523 2.598 20 0 GFADRO Cc1c(Br)c[nH]c(=O)c1C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000632012761 565990637 /nfs/dbraw/zinc/99/06/37/565990637.db2.gz XFMUKVXFWULNSN-IUODEOHRSA-N 1 0 394.313 2.947 20 0 GFADRO C[N@H+](CCc1ccc(Br)cc1)CC(=O)N1CCOC[C@@H]1C1CC1 ZINC000677983153 565991644 /nfs/dbraw/zinc/99/16/44/565991644.db2.gz JKVMZQQYXRWFBJ-QGZVFWFLSA-N 1 0 381.314 2.561 20 0 GFADRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)[C@@]23CCC(=O)N2c2cc(Cl)ccc2S3)C1 ZINC000654067973 565994732 /nfs/dbraw/zinc/99/47/32/565994732.db2.gz MOCOIOIABCBECL-SRBZOADZSA-N 1 0 379.913 2.725 20 0 GFADRO CS(=O)(=O)Nc1cccc(C[NH2+][C@@H](CO)c2ccc(Br)cc2)c1 ZINC000678079726 565997574 /nfs/dbraw/zinc/99/75/74/565997574.db2.gz WFFZQENTJPAARA-INIZCTEOSA-N 1 0 399.310 2.644 20 0 GFADRO O=C(Nc1ccc(OC(F)(F)F)c(Cl)c1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000654111077 565998219 /nfs/dbraw/zinc/99/82/19/565998219.db2.gz VCBQPGLCIPEFNY-WDEREUQCSA-N 1 0 379.766 2.521 20 0 GFADRO NC(=O)CCC1CC[NH+](C[C@H](O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000678087703 565998609 /nfs/dbraw/zinc/99/86/09/565998609.db2.gz WOXLMNNFNUWNHK-ZDUSSCGKSA-N 1 0 375.296 2.711 20 0 GFADRO COCC(=O)NC1CC[NH+](CC2=Cc3cc(Cl)cc(Cl)c3OC2)CC1 ZINC000678183405 566003451 /nfs/dbraw/zinc/00/34/51/566003451.db2.gz NGIPPIWFYRXJBC-UHFFFAOYSA-N 1 0 385.291 2.996 20 0 GFADRO COCC[N@@H+]1CCCN(C(=O)c2ccc(Br)cc2SC)CC1 ZINC000654600485 566016780 /nfs/dbraw/zinc/01/67/80/566016780.db2.gz QMIZCBBMVREWPZ-UHFFFAOYSA-N 1 0 387.343 2.965 20 0 GFADRO CS(=O)(=O)N1CCC([NH2+]C2(c3ccc(Br)cc3)CCC2)CC1 ZINC000679016804 566028408 /nfs/dbraw/zinc/02/84/08/566028408.db2.gz RCMMVMUJWXFXPO-UHFFFAOYSA-N 1 0 387.343 2.842 20 0 GFADRO CCN(C1CC[NH+](C)CC1)S(=O)(=O)Cc1ccc(Br)cc1 ZINC000632408110 566029661 /nfs/dbraw/zinc/02/96/61/566029661.db2.gz SXHVUGKQECSFHE-UHFFFAOYSA-N 1 0 375.332 2.695 20 0 GFADRO CNC(=O)[C@H](CC(C)C)[NH2+][C@@H](C)CC(=O)Nc1cccc(Br)c1 ZINC000679086746 566030545 /nfs/dbraw/zinc/03/05/45/566030545.db2.gz ODNTYXACPNBSEI-WFASDCNBSA-N 1 0 384.318 2.917 20 0 GFADRO O=C(Nc1c(F)cccc1Br)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000654946444 566031728 /nfs/dbraw/zinc/03/17/28/566031728.db2.gz KAYFIZSBZHOWDA-UONOGXRCSA-N 1 0 398.276 2.660 20 0 GFADRO Cc1ccc(Br)c(NC(=O)C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)c1 ZINC000654948663 566031761 /nfs/dbraw/zinc/03/17/61/566031761.db2.gz FHJTZNGOHZOJAI-HOCLYGCPSA-N 1 0 394.313 2.829 20 0 GFADRO Cc1ccc(NC(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1Br ZINC000654945478 566032065 /nfs/dbraw/zinc/03/20/65/566032065.db2.gz BVURRRCEFOTLJO-HZPDHXFCSA-N 1 0 394.313 2.829 20 0 GFADRO O=S(=O)(c1ccc(Cl)c(Cl)c1)N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000632452054 566033388 /nfs/dbraw/zinc/03/33/88/566033388.db2.gz LDHWYPLMZFMDPU-UHFFFAOYSA-N 1 0 393.336 2.869 20 0 GFADRO O=S(=O)(c1csc2ccccc21)N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000632451384 566033735 /nfs/dbraw/zinc/03/37/35/566033735.db2.gz LMPKNOCZNSCZPV-UHFFFAOYSA-N 1 0 380.535 2.777 20 0 GFADRO Cc1cc(Br)c(C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)s1 ZINC000654975462 566033741 /nfs/dbraw/zinc/03/37/41/566033741.db2.gz DIXCPGTUBSUCLV-ZDUSSCGKSA-N 1 0 386.359 2.671 20 0 GFADRO CC[NH+](CC)CC[C@@H](CO)NC(=O)c1c[nH]c2ccc(Br)cc21 ZINC000655047642 566037620 /nfs/dbraw/zinc/03/76/20/566037620.db2.gz FAUOLCGDMXCISK-ZDUSSCGKSA-N 1 0 382.302 2.753 20 0 GFADRO NC(=O)C1(C[NH2+][C@@H](c2ccc(Br)cc2)[C@H]2CCCO2)CCOCC1 ZINC000679332620 566037764 /nfs/dbraw/zinc/03/77/64/566037764.db2.gz XXQFOQATZYLKSO-CVEARBPZSA-N 1 0 397.313 2.541 20 0 GFADRO O=C(NCCNc1cccc(Br)c1)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000679381192 566039244 /nfs/dbraw/zinc/03/92/44/566039244.db2.gz VMHSTDPIKPWTRV-INIZCTEOSA-N 1 0 381.318 2.645 20 0 GFADRO C[NH+](C)CCn1cc(C(=O)NCc2cc3cc(Br)ccc3[nH]2)cn1 ZINC000632499957 566039392 /nfs/dbraw/zinc/03/93/92/566039392.db2.gz TZKHFEZKUQFEBK-UHFFFAOYSA-N 1 0 390.285 2.619 20 0 GFADRO C[C@@H](NC(=O)CCn1cc(Br)cn1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000679664797 566049143 /nfs/dbraw/zinc/04/91/43/566049143.db2.gz ITZODLFVJABRAM-ZIAGYGMSSA-N 1 0 383.334 2.805 20 0 GFADRO COc1ccc(Br)cc1C(=O)CCC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655246663 566049507 /nfs/dbraw/zinc/04/95/07/566049507.db2.gz MQFPSFOWBNQVAD-XBXGTLAGSA-N 1 0 397.313 2.877 20 0 GFADRO O=S1(=O)CC[C@@]2(C1)C[C@@H]([NH2+]Cc1c(Cl)ccc3cccnc31)CCO2 ZINC000679718469 566049826 /nfs/dbraw/zinc/04/98/26/566049826.db2.gz AYKYXOZLYPSVLX-KSSFIOAISA-N 1 0 380.897 2.714 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)CCC[N@H+]1C[C@@H](CO)OC[C@@H]1C ZINC000679820212 566053401 /nfs/dbraw/zinc/05/34/01/566053401.db2.gz YTVHWZSHBYQBIW-HOCLYGCPSA-N 1 0 399.329 2.866 20 0 GFADRO CO[C@H](C(=O)N1CCC([C@H]2CC[NH2+]C2)CC1)c1ccccc1Br ZINC000655461376 566057043 /nfs/dbraw/zinc/05/70/43/566057043.db2.gz AUEKGUCDLHLLHM-YOEHRIQHSA-N 1 0 381.314 2.985 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC000655431616 566057354 /nfs/dbraw/zinc/05/73/54/566057354.db2.gz UQYZHFKAAGDLIZ-RDTXWAMCSA-N 1 0 394.313 2.592 20 0 GFADRO CO[C@H](C(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1)c1ccccc1Br ZINC000655464959 566057395 /nfs/dbraw/zinc/05/73/95/566057395.db2.gz NOGPFCWAWBUIAP-ZQIUZPCESA-N 1 0 381.314 2.985 20 0 GFADRO CCCOc1c(Br)cc(C(=O)N[C@@H](C[NH3+])C(F)(F)F)cc1OC ZINC000655507823 566061209 /nfs/dbraw/zinc/06/12/09/566061209.db2.gz YWPWHPQJONTTIS-NSHDSACASA-N 1 0 399.207 2.866 20 0 GFADRO Cc1c(Br)cccc1CS(=O)(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000655503395 566061483 /nfs/dbraw/zinc/06/14/83/566061483.db2.gz RPKUDEBFALMCEO-ZDUSSCGKSA-N 1 0 375.332 2.519 20 0 GFADRO Cc1cc(C(=O)N[C@@H](C[NH3+])C(F)(F)F)c2ccc(Br)cc2n1 ZINC000655514184 566062094 /nfs/dbraw/zinc/06/20/94/566062094.db2.gz NWUGZXNPWYZHEC-LBPRGKRZSA-N 1 0 376.176 2.925 20 0 GFADRO Cc1nc(COc2ccc(F)cc2)sc1C(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000655513986 566062117 /nfs/dbraw/zinc/06/21/17/566062117.db2.gz JUTGJHJWJKZIMQ-LLVKDONJSA-N 1 0 377.363 2.789 20 0 GFADRO [NH3+]C[C@@H](NC(=O)Cc1csc(COc2ccc(Cl)cc2)n1)C(F)(F)F ZINC000655513895 566062541 /nfs/dbraw/zinc/06/25/41/566062541.db2.gz HQPVUKXEXWHNJJ-GFCCVEGCSA-N 1 0 393.818 2.924 20 0 GFADRO Cc1csc(-c2ccc(S(=O)(=O)N3CC[C@@H]4CC[N@@H+](C)C[C@@H]43)cc2)n1 ZINC000655552998 566067256 /nfs/dbraw/zinc/06/72/56/566067256.db2.gz YKLMYUOSEBSVAA-YOEHRIQHSA-N 1 0 377.535 2.833 20 0 GFADRO O=C(c1cnn(-c2cccc(Br)c2)c1)N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000632860781 566071054 /nfs/dbraw/zinc/07/10/54/566071054.db2.gz MSSQFOPTQPAORJ-GUYCJALGSA-N 1 0 389.297 2.849 20 0 GFADRO Cn1ncc(Br)c1CNC(=O)NCCC[N@H+](C)Cc1ccccc1 ZINC000632859288 566071060 /nfs/dbraw/zinc/07/10/60/566071060.db2.gz QPYXCSULNSISIR-UHFFFAOYSA-N 1 0 394.317 2.504 20 0 GFADRO COc1cc(C(=O)N2CCC[C@@H]3C[NH2+]CC[C@@H]32)cc(Br)c1OC ZINC000632874097 566071903 /nfs/dbraw/zinc/07/19/03/566071903.db2.gz DGBZDJPEEZHVJV-RISCZKNCSA-N 1 0 383.286 2.680 20 0 GFADRO O=C(Nc1ccc(Br)cc1Br)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000632905810 566073980 /nfs/dbraw/zinc/07/39/80/566073980.db2.gz ZZVNVYZVCOHMLV-IUCAKERBSA-N 1 0 375.064 2.790 20 0 GFADRO [NH3+][C@H]1CCCCCN(C(=O)Nc2cc(Br)cnc2-n2cccn2)C1 ZINC000632935480 566075278 /nfs/dbraw/zinc/07/52/78/566075278.db2.gz PKUXANISQCZCDD-ZDUSSCGKSA-N 1 0 393.289 2.765 20 0 GFADRO COC(=O)c1cc(NC(=O)NCC[N@H+](C)C(C)C)c(Br)cc1F ZINC000610328206 566077908 /nfs/dbraw/zinc/07/79/08/566077908.db2.gz SSGIDCDGHCQEDE-UHFFFAOYSA-N 1 0 390.253 2.837 20 0 GFADRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)N[C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21 ZINC000633076871 566083075 /nfs/dbraw/zinc/08/30/75/566083075.db2.gz MMXWLLRYGTYDIC-PHTTXTFCSA-N 1 0 390.325 2.871 20 0 GFADRO CN1CC[NH+]([C@H]2CC[C@@H](NC(=O)[C@@H]3SCCc4sccc43)CC2)CC1 ZINC000680841730 566084189 /nfs/dbraw/zinc/08/41/89/566084189.db2.gz ZLHHKHWPEJUKHD-RVKKMQEKSA-N 1 0 379.595 2.753 20 0 GFADRO Cc1nn(-c2cccc(Br)c2)cc1C[NH2+]C1(CCO)CCOCC1 ZINC000655747173 566085111 /nfs/dbraw/zinc/08/51/11/566085111.db2.gz AJMGWDINFDCCOB-UHFFFAOYSA-N 1 0 394.313 2.964 20 0 GFADRO CCCN(CC[NH+](CC)CC)S(=O)(=O)c1ccc([C@@H](C)NC(C)=O)s1 ZINC000680860132 566085265 /nfs/dbraw/zinc/08/52/65/566085265.db2.gz YFBVQYHZRIMVAM-CQSZACIVSA-N 1 0 389.587 2.688 20 0 GFADRO Cc1nn(-c2ccccc2Br)cc1C[NH2+]C[C@@]1(CCO)CCOC1 ZINC000655748336 566085809 /nfs/dbraw/zinc/08/58/09/566085809.db2.gz XINKSJPMPGZWTL-GOSISDBHSA-N 1 0 394.313 2.822 20 0 GFADRO CNC(=O)[C@H]1CCC[C@H]1[NH2+]Cc1cn(-c2ccccc2Br)nc1C ZINC000655753819 566087230 /nfs/dbraw/zinc/08/72/30/566087230.db2.gz GHDHMGOODMYNSD-GOEBONIOSA-N 1 0 391.313 2.948 20 0 GFADRO CSc1nnc(CNC(=O)N[C@@H]2CC[N@H+](Cc3ccc(C)cc3)C2)s1 ZINC000633180199 566088274 /nfs/dbraw/zinc/08/82/74/566088274.db2.gz KBTGHLOSNKVSHT-CQSZACIVSA-N 1 0 377.539 2.642 20 0 GFADRO Cc1nn(-c2cccc(Br)c2)cc1C[NH2+][C@H](C)C(=O)NCCF ZINC000655769593 566088415 /nfs/dbraw/zinc/08/84/15/566088415.db2.gz LJHAOOSUXHLDAK-GFCCVEGCSA-N 1 0 383.265 2.507 20 0 GFADRO CC[C@H]([NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1)[C@@H]1CCCCO1 ZINC000655855449 566093325 /nfs/dbraw/zinc/09/33/25/566093325.db2.gz DTRAPLPSPYIWSZ-KBPBESRZSA-N 1 0 391.331 2.534 20 0 GFADRO C[C@@H](CCc1ccc(Br)cc1)NC(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000655912611 566095899 /nfs/dbraw/zinc/09/58/99/566095899.db2.gz AOFIUCBTQPONEP-CABZTGNLSA-N 1 0 382.224 2.959 20 0 GFADRO CC[C@H](Cc1ccccc1Br)NC(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000655922339 566096447 /nfs/dbraw/zinc/09/64/47/566096447.db2.gz UFAKPIWNBWKLRC-PWSUYJOCSA-N 1 0 382.224 2.959 20 0 GFADRO COc1ccc(Cl)cc1-c1cc(NC(=O)N[C@H](C[NH3+])C(F)(F)F)n[nH]1 ZINC000655931605 566096959 /nfs/dbraw/zinc/09/69/59/566096959.db2.gz MAFFYXCUMMRWHC-LLVKDONJSA-N 1 0 377.754 2.750 20 0 GFADRO Cc1c(Br)cccc1CS(=O)(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000655951053 566099516 /nfs/dbraw/zinc/09/95/16/566099516.db2.gz QSQXHFVUDFBDBE-MRXNPFEDSA-N 1 0 383.311 2.877 20 0 GFADRO O=C(N[C@H]1CC[NH2+]C1)N1CCN(c2cc(Cl)c(Cl)c(Cl)c2)CC1 ZINC000655964608 566100153 /nfs/dbraw/zinc/10/01/53/566100153.db2.gz ZQWOCEAOASBAJV-JTQLQIEISA-N 1 0 377.703 2.840 20 0 GFADRO CC(C)[NH2+][C@@H]1CCCN(C(=O)Cc2ccccc2I)C1 ZINC000610924450 566105730 /nfs/dbraw/zinc/10/57/30/566105730.db2.gz KOXXMXGGWQUTCM-CQSZACIVSA-N 1 0 386.277 2.823 20 0 GFADRO O=C(c1ccsc1Br)N1CCc2[nH]cnc2C12CCOCC2 ZINC000633528292 566107839 /nfs/dbraw/zinc/10/78/39/566107839.db2.gz TUEVRVZXLVPGGA-UHFFFAOYSA-N 1 0 382.283 2.938 20 0 GFADRO O[C@@H]1C[C@H]2CN(Cc3ccc(Br)cc3C(F)(F)F)CC[N@@H+]2C1 ZINC000656273591 566122277 /nfs/dbraw/zinc/12/22/77/566122277.db2.gz KFOVBPRUMDLLCX-QWHCGFSZSA-N 1 0 379.220 2.719 20 0 GFADRO CC[N@H+](C[C@H](O)COc1ccc(Cl)c(Cl)c1)C[C@H](O)C(F)(F)F ZINC000681699313 566123949 /nfs/dbraw/zinc/12/39/49/566123949.db2.gz VSSPSULLFDNUDB-ZANVPECISA-N 1 0 376.202 2.978 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cnc2ncc(Br)cc2c1 ZINC000681961230 566134832 /nfs/dbraw/zinc/13/48/32/566134832.db2.gz JTHKOTXDJOPNGZ-HUUCEWRRSA-N 1 0 375.270 2.749 20 0 GFADRO C[C@H](CNC(=O)c1cnc2ncc(Br)cc2c1)C[NH+]1CCCC1 ZINC000681964718 566134885 /nfs/dbraw/zinc/13/48/85/566134885.db2.gz QFXORJWOSQRPEF-GFCCVEGCSA-N 1 0 377.286 2.854 20 0 GFADRO CC1(C)CN(C(=O)CCCOc2ccccc2Br)CC[N@@H+]1CCO ZINC000682005331 566138929 /nfs/dbraw/zinc/13/89/29/566138929.db2.gz BFFPWFPYSUYRBJ-UHFFFAOYSA-N 1 0 399.329 2.523 20 0 GFADRO Cc1cc(Br)c(CN2C(=O)N[C@@]3(CCC[NH2+]C3)C2=O)cc1Cl ZINC000656613083 566146928 /nfs/dbraw/zinc/14/69/28/566146928.db2.gz QOKVNTSFRIYIGI-OAHLLOKOSA-N 1 0 386.677 2.585 20 0 GFADRO C[C@@H](NC(=O)C(=O)Nc1nc(-c2cccs2)cs1)C1CC[NH+](C)CC1 ZINC000682192417 566147134 /nfs/dbraw/zinc/14/71/34/566147134.db2.gz ODXYYKWUKMDTEU-LLVKDONJSA-N 1 0 378.523 2.657 20 0 GFADRO CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)Nc1ccc(C)cc1Br ZINC000682274123 566148699 /nfs/dbraw/zinc/14/86/99/566148699.db2.gz OQTLPUTWSWXREY-CYBMUJFWSA-N 1 0 382.302 2.687 20 0 GFADRO C[NH+]1CCN(c2ccnc(NC(=O)c3sccc3Br)c2)CC1 ZINC000634195077 566149332 /nfs/dbraw/zinc/14/93/32/566149332.db2.gz QWVVAZYGXVVORN-UHFFFAOYSA-N 1 0 381.299 2.910 20 0 GFADRO CN(CCCC[NH+](C)C)C(=O)C(=O)Nc1ccc(Cl)c(Br)c1 ZINC000682282525 566149498 /nfs/dbraw/zinc/14/94/98/566149498.db2.gz OEEYMJUUTILKDK-UHFFFAOYSA-N 1 0 390.709 2.841 20 0 GFADRO CN(CCCC[NH+](C)C)C(=O)C(=O)Nc1ccc(Br)cc1Cl ZINC000682282542 566149584 /nfs/dbraw/zinc/14/95/84/566149584.db2.gz OZYMCBNGFZYVFH-UHFFFAOYSA-N 1 0 390.709 2.841 20 0 GFADRO CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)Nc2nc(-c3cccs3)cs2)C1 ZINC000682352940 566151434 /nfs/dbraw/zinc/15/14/34/566151434.db2.gz YOZBAWHQVMOXFU-LBPRGKRZSA-N 1 0 378.523 2.799 20 0 GFADRO COc1cc(Cl)ccc1S(=O)(=O)NCc1ccc(CC[NH+](C)C)cc1 ZINC000682417720 566152939 /nfs/dbraw/zinc/15/29/39/566152939.db2.gz FBWULWWLSDCVAC-UHFFFAOYSA-N 1 0 382.913 2.931 20 0 GFADRO COc1cc(C[NH2+]CCC2CS(=O)(=O)C2)ccc1OCc1cccs1 ZINC000682474616 566155556 /nfs/dbraw/zinc/15/55/56/566155556.db2.gz LPXJBZVBUHHSMP-UHFFFAOYSA-N 1 0 381.519 2.860 20 0 GFADRO COC1CC(CC[NH2+]C[C@@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000656701751 566156212 /nfs/dbraw/zinc/15/62/12/566156212.db2.gz BMHDHENBJPUDOL-XGTXGMFGSA-N 1 0 376.266 2.733 20 0 GFADRO Brc1ccc(CN[C@H]2CC[N@H+](CC3CC3)C2)c(N2CCOCC2)c1 ZINC000682730483 566169446 /nfs/dbraw/zinc/16/94/46/566169446.db2.gz FIEUCOGBWJDWPP-SFHVURJKSA-N 1 0 394.357 2.860 20 0 GFADRO CC(C)(C[NH2+]C[C@@H](O)CC1(O)CCOCC1)c1ccccc1Br ZINC000634709291 566170835 /nfs/dbraw/zinc/17/08/35/566170835.db2.gz HAFRNAAAWQGOCD-AWEZNQCLSA-N 1 0 386.330 2.609 20 0 GFADRO C[C@](O)(C[C@@H](O)C[NH2+][C@H]1CCN(c2cccc(Br)c2)C1)C1CC1 ZINC000634712502 566171945 /nfs/dbraw/zinc/17/19/45/566171945.db2.gz HKKRARDQMGJHPP-JQHSSLGASA-N 1 0 383.330 2.529 20 0 GFADRO OC[C@H](C[NH2+]C[C@H](O)COc1cc(Cl)cc(Cl)c1)Cc1cccnc1 ZINC000634719892 566172419 /nfs/dbraw/zinc/17/24/19/566172419.db2.gz AXQLUGHKAZFQDZ-YOEHRIQHSA-N 1 0 385.291 2.569 20 0 GFADRO O[C@@H](C[NH2+]C[C@@H](n1cncn1)C(F)(F)F)COc1cc(Cl)ccc1Cl ZINC000634725966 566173034 /nfs/dbraw/zinc/17/30/34/566173034.db2.gz IMNQMAXSOPSCQI-GXFFZTMASA-N 1 0 399.200 2.718 20 0 GFADRO COC[C@H](C)OC[C@H](O)C[NH2+][C@H](C)c1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC000634727250 566173193 /nfs/dbraw/zinc/17/31/93/566173193.db2.gz OLVIMEACRSMOGG-HBNTYKKESA-N 1 0 376.284 2.933 20 0 GFADRO Cn1ncc(Br)c1C[NH2+]C[C@@H](O)COCc1ccccc1Cl ZINC000634726649 566173621 /nfs/dbraw/zinc/17/36/21/566173621.db2.gz XPONVWWVSXYUSB-GFCCVEGCSA-N 1 0 388.693 2.503 20 0 GFADRO Cn1ncc(Br)c1C[NH2+]C[C@H](O)CO[C@H]1CCCc2ccccc21 ZINC000634726022 566173704 /nfs/dbraw/zinc/17/37/04/566173704.db2.gz JQCWSQCFGLQCOM-KSSFIOAISA-N 1 0 394.313 2.727 20 0 GFADRO CC1(C)C[NH2+]CC[C@H](NC(=O)[C@@H]2CCO[C@H]2c2cncc(Br)c2)C1 ZINC000634763837 566174101 /nfs/dbraw/zinc/17/41/01/566174101.db2.gz DYXURHAJOXEWLM-XHSDSOJGSA-N 1 0 396.329 2.816 20 0 GFADRO C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)c1cc(=O)[nH]c3c(Br)cccc13)C2 ZINC000634746490 566175057 /nfs/dbraw/zinc/17/50/57/566175057.db2.gz YLLLYDXXTAEJHM-HDICACEKSA-N 1 0 390.281 2.775 20 0 GFADRO C[C@H](CC(F)(F)F)CS(=O)(=O)NCc1ccccc1OCC[NH+](C)C ZINC000656888892 566175482 /nfs/dbraw/zinc/17/54/82/566175482.db2.gz WVLDITSDEFDCIU-CYBMUJFWSA-N 1 0 382.448 2.635 20 0 GFADRO C[C@]1(NC(=O)NCc2cc(Br)ccc2OC(F)F)CC[NH2+]C1 ZINC000612875757 566177939 /nfs/dbraw/zinc/17/79/39/566177939.db2.gz PSJOYLRUMQVHAG-AWEZNQCLSA-N 1 0 378.217 2.602 20 0 GFADRO C[C@@H](Cc1cc(Br)ccc1F)NC(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000612974131 566180332 /nfs/dbraw/zinc/18/03/32/566180332.db2.gz DCZPGIXRUZDAEY-NHYWBVRUSA-N 1 0 384.293 2.961 20 0 GFADRO Cc1c(F)c(Br)ccc1C(=O)Nc1ccc(=O)n(CC[NH+](C)C)c1 ZINC000612996060 566181586 /nfs/dbraw/zinc/18/15/86/566181586.db2.gz VNSDCEZAZGUAJM-UHFFFAOYSA-N 1 0 396.260 2.872 20 0 GFADRO CCN1CCN(C(=O)C(=O)Nc2cc(C)c(Br)c(C)c2)C[C@H]1C ZINC000683162831 566185292 /nfs/dbraw/zinc/18/52/92/566185292.db2.gz IXWHQUTULCMCHG-CYBMUJFWSA-N 1 0 382.302 2.557 20 0 GFADRO Cc1cc(NC(=O)C(=O)N[C@@H](C)C2CC[NH+](C)CC2)cc(C)c1Br ZINC000683165655 566186644 /nfs/dbraw/zinc/18/66/44/566186644.db2.gz PSWFFTMBDWOLBZ-ZDUSSCGKSA-N 1 0 396.329 2.851 20 0 GFADRO C[NH+](C)C[C@H]1CCCN1S(=O)(=O)c1cc(Cl)cc(Br)c1 ZINC000656935896 566187926 /nfs/dbraw/zinc/18/79/26/566187926.db2.gz UPUVXFOJWJJSMG-GFCCVEGCSA-N 1 0 381.723 2.817 20 0 GFADRO C[NH+](C)[C@@H]1CCCN(C(=O)c2cnc3ncc(Br)cc3c2)CC1 ZINC000683261461 566191145 /nfs/dbraw/zinc/19/11/45/566191145.db2.gz UANFESXXDKXPJO-OAHLLOKOSA-N 1 0 377.286 2.949 20 0 GFADRO O=C1N[C@H](c2ccc(Br)cc2)C(=O)N1[C@H]1CC[N@H+](CC2CC2)C1 ZINC000683284942 566192411 /nfs/dbraw/zinc/19/24/11/566192411.db2.gz FEJKUUPKXCEUOL-LSDHHAIUSA-N 1 0 378.270 2.526 20 0 GFADRO C[N@@H+]1CC[C@H]2CCN(S(=O)(=O)c3cc(Cl)cc(Br)c3)[C@H]2C1 ZINC000656953291 566192481 /nfs/dbraw/zinc/19/24/81/566192481.db2.gz JVUPMBBCNSHZFT-HZMBPMFUSA-N 1 0 393.734 2.817 20 0 GFADRO Brc1ccc2nc(CN3CCC[N@H+](C[C@@H]4CCCO4)CC3)cn2c1 ZINC000613421359 566197863 /nfs/dbraw/zinc/19/78/63/566197863.db2.gz QRMFVYYVTMGQFI-KRWDZBQOSA-N 1 0 393.329 2.784 20 0 GFADRO Brc1ccc2nc(C[NH2+][C@@H]3CCCC[C@H]3N3CCOCC3)cn2c1 ZINC000683523122 566202188 /nfs/dbraw/zinc/20/21/88/566202188.db2.gz BRCWXLLROQVRIJ-IAGOWNOFSA-N 1 0 393.329 2.830 20 0 GFADRO CCCOC[C@H](Cc1cccc(Br)c1)NC(=O)C1([NH+](C)C)CC1 ZINC000613610441 566203439 /nfs/dbraw/zinc/20/34/39/566203439.db2.gz HBMANWJTYLVDCX-INIZCTEOSA-N 1 0 383.330 2.997 20 0 GFADRO CN(Cc1cc(Br)cs1)C(=O)C(C)(C)C[NH+]1CCOCC1 ZINC000635333598 566206670 /nfs/dbraw/zinc/20/66/70/566206670.db2.gz VYAIAHHNRZEDJQ-UHFFFAOYSA-N 1 0 375.332 2.827 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@H](CNS(=O)(=O)c2cc(Br)ccc2F)C1 ZINC000657033945 566209748 /nfs/dbraw/zinc/20/97/48/566209748.db2.gz NGRUPEOZWGTPRG-LLVKDONJSA-N 1 0 393.322 2.987 20 0 GFADRO C[C@@H](NC(=O)C1(C[NH+](C)C)CC1)c1cc2c(cc1Br)OCCO2 ZINC000635391522 566209877 /nfs/dbraw/zinc/20/98/77/566209877.db2.gz RJNAMQLQFWZSFF-LLVKDONJSA-N 1 0 383.286 2.739 20 0 GFADRO COC1CC[NH+](CCNC(=O)Nc2cc(F)cc(Br)c2F)CC1 ZINC000683811706 566215789 /nfs/dbraw/zinc/21/57/89/566215789.db2.gz ZUDBNKVOZGSOPL-UHFFFAOYSA-N 1 0 392.244 2.960 20 0 GFADRO COCC[N@@H+]1CCC[C@@H](NC(=O)c2c(F)ccc(Br)c2F)C1 ZINC000683849112 566216671 /nfs/dbraw/zinc/21/66/71/566216671.db2.gz UDTWFHLBIFCLMC-SNVBAGLBSA-N 1 0 377.229 2.568 20 0 GFADRO O=C(Nc1nnc(-c2ccccc2Br)[n-]1)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000683893120 566217381 /nfs/dbraw/zinc/21/73/81/566217381.db2.gz VXSXPARCAMINLE-ZDUSSCGKSA-N 1 0 376.258 2.800 20 0 GFADRO Cc1c(Br)ccc(C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)c1F ZINC000684050205 566223515 /nfs/dbraw/zinc/22/35/15/566223515.db2.gz PWEOUSGMGNSFQI-CQSZACIVSA-N 1 0 398.320 2.749 20 0 GFADRO O=C(N[C@H]1CC[N@H+](CC2CC2)C1)N1CCOc2c(Br)cccc2C1 ZINC000684266992 566231815 /nfs/dbraw/zinc/23/18/15/566231815.db2.gz JSYSJGSVCZJKSD-HNNXBMFYSA-N 1 0 394.313 2.837 20 0 GFADRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N1CCOc2c(Br)cccc2C1 ZINC000684274444 566231927 /nfs/dbraw/zinc/23/19/27/566231927.db2.gz VGLSNINKZBYHAA-MLGOLLRUSA-N 1 0 394.313 2.836 20 0 GFADRO Cc1nc2ccc(Br)cn2c1C(=O)N[C@H](C)C1CC[NH+](C)CC1 ZINC000684441675 566236396 /nfs/dbraw/zinc/23/63/96/566236396.db2.gz LMFAZEVAQVDXLN-LLVKDONJSA-N 1 0 379.302 2.865 20 0 GFADRO C[C@@H](O)C[N@@H+]1CCN(C(=O)Cc2ccc(Br)c(Cl)c2)[C@H](C)C1 ZINC000684481097 566236858 /nfs/dbraw/zinc/23/68/58/566236858.db2.gz APXLWPNEFCXVIC-VXGBXAGGSA-N 1 0 389.721 2.559 20 0 GFADRO C[C@H](O)C[N@@H+]1CCN(C(=O)Cc2ccc(Br)c(Cl)c2)[C@@H](C)C1 ZINC000684481095 566236895 /nfs/dbraw/zinc/23/68/95/566236895.db2.gz APXLWPNEFCXVIC-RYUDHWBXSA-N 1 0 389.721 2.559 20 0 GFADRO CCOc1ccc(-c2nn[nH]n2)cc1NC(=O)NCC[N@@H+]1CCCC[C@H]1CC ZINC000736635016 598850981 /nfs/dbraw/zinc/85/09/81/598850981.db2.gz QJWDKTTWZLUEFP-OAHLLOKOSA-N 1 0 387.488 2.651 20 0 GFADRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)NCc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000736268409 598879819 /nfs/dbraw/zinc/87/98/19/598879819.db2.gz TXUPVKACRYERGX-WMZOPIPTSA-N 1 0 397.527 2.663 20 0 GFADRO OCCC[N@H+](CCOc1ccc(-c2nn[nH]n2)cc1)[C@@H]1CCc2ccccc21 ZINC000738394006 598897933 /nfs/dbraw/zinc/89/79/33/598897933.db2.gz NMLLCASGFPOBDF-HXUWFJFHSA-N 1 0 379.464 2.617 20 0 GFADRO CCOc1ccccc1[C@H](C)[NH2+][C@H]1CCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000736653510 598961039 /nfs/dbraw/zinc/96/10/39/598961039.db2.gz BAVBQQFSLLNSCK-KSSFIOAISA-N 1 0 392.463 2.722 20 0 GFADRO CCC[N@H+](CC(=O)Nc1sccc1-c1nn[nH]n1)[C@@H]1C[C@@H](OCC)C1(C)C ZINC000736471888 598993242 /nfs/dbraw/zinc/99/32/42/598993242.db2.gz XPPBWSLFEQPCLB-ZIAGYGMSSA-N 1 0 392.529 2.782 20 0 GFADRO O=C(OCc1cccc(-c2nn[nH]n2)c1)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000738232230 599058063 /nfs/dbraw/zinc/05/80/63/599058063.db2.gz JUXNVDHKXHELIG-GOSISDBHSA-N 1 0 395.438 2.961 20 0 GFADRO C[N@@H+]1CCC[C@@H](CNC(=O)c2sccc2-c2nn[nH]n2)[C@H]1c1cccs1 ZINC000736858214 599085544 /nfs/dbraw/zinc/08/55/44/599085544.db2.gz RMOJCHHDXRBESD-FZMZJTMJSA-N 1 0 388.522 2.803 20 0 GFADRO C[C@H]([NH2+][C@H]1CCCN(c2cccc(F)c2)C1=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000736134943 599090974 /nfs/dbraw/zinc/09/09/74/599090974.db2.gz WPLRSOJNEVLOBR-UGSOOPFHSA-N 1 0 380.427 2.852 20 0 GFADRO NC(=O)[C@@H]([NH2+]CC1(c2ccccc2)CCCCC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000737729740 599091726 /nfs/dbraw/zinc/09/17/26/599091726.db2.gz CPRXHYWBHJJMTB-IBGZPJMESA-N 1 0 390.491 2.885 20 0 GFADRO NC(=O)[C@@H](NCc1ccc(OC2CCCC2)cc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000737739602 599096430 /nfs/dbraw/zinc/09/64/30/599096430.db2.gz ZPLFMUYMTXUEJG-IBGZPJMESA-N 1 0 392.463 2.504 20 0 GFADRO C[C@H]1C[C@H](NC(=O)c2cccc(Nc3ccc(-c4nn[nH]n4)cc3)c2)CC[N@@H+]1C ZINC000736231714 599106034 /nfs/dbraw/zinc/10/60/34/599106034.db2.gz CIBFTDXXQALNLE-IFXJQAMLSA-N 1 0 391.479 2.823 20 0 GFADRO Cc1cccc2c1ncc(-c1nn[nH]n1)c2N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000737410975 599122825 /nfs/dbraw/zinc/12/28/25/599122825.db2.gz WPQPWGDLJSQTIM-KRWDZBQOSA-N 1 0 385.475 2.832 20 0 GFADRO Cc1ccc([C@H]2CCCC[N@@H+]2C[C@H](O)COc2ccc(-c3nn[nH]n3)cc2)o1 ZINC000737328332 599139075 /nfs/dbraw/zinc/13/90/75/599139075.db2.gz GEEBGKQGORCXBU-FUHWJXTLSA-N 1 0 383.452 2.735 20 0 GFADRO Cc1cccc(C2(O)CC[NH+](CCOc3ccccc3-c3nn[nH]n3)CC2)c1C ZINC000737390668 599145684 /nfs/dbraw/zinc/14/56/84/599145684.db2.gz UTTPYJJSZOWENF-UHFFFAOYSA-N 1 0 393.491 2.846 20 0 GFADRO CC1(C)[C@@H]2C[N@@H+](CCC(=O)Nc3sc4c(c3-c3nn[nH]n3)CCCC4)C[C@@H]21 ZINC000736207599 599146967 /nfs/dbraw/zinc/14/69/67/599146967.db2.gz SWLCPLKQHTWRFC-BETUJISGSA-N 1 0 386.525 2.723 20 0 GFADRO Cc1nnc(NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)c(-c2nn[nH]n2)c1C ZINC000737520343 599171469 /nfs/dbraw/zinc/17/14/69/599171469.db2.gz JHDLRYGJUAZGKS-HNNXBMFYSA-N 1 0 378.484 2.911 20 0 GFADRO FC(F)Oc1ccccc1N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000737639289 599213417 /nfs/dbraw/zinc/21/34/17/599213417.db2.gz QIIYQXUURHNTJB-OAHLLOKOSA-N 1 0 386.406 2.837 20 0 GFADRO C[C@@H]1CCN(C(=O)c2cccc(-c3nn[nH]n3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000820717292 599217767 /nfs/dbraw/zinc/21/77/67/599217767.db2.gz OYZBAIBLSGLQPR-MRXNPFEDSA-N 1 0 376.464 2.603 20 0 GFADRO CC[N@H+](CCn1cnc2ccccc2c1=O)[C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000736556541 599233568 /nfs/dbraw/zinc/23/35/68/599233568.db2.gz XSXWXVRPSIBLPQ-OAHLLOKOSA-N 1 0 389.463 2.660 20 0 GFADRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(CCC(=O)Nc2cccc(-c3nn[nH]n3)c2)C1 ZINC000736236739 599268752 /nfs/dbraw/zinc/26/87/52/599268752.db2.gz MITWYJJKKWNEQI-JTDSTZFVSA-N 1 0 397.527 2.533 20 0 GFADRO C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)Nc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC000821614732 599282571 /nfs/dbraw/zinc/28/25/71/599282571.db2.gz SKGOPIWXYSJALW-INIZCTEOSA-N 1 0 395.442 2.744 20 0 GFADRO CC(C)c1nc(CN(C)[C@@H]2CC[N@@H+]([C@@H](C)c3ccc(-c4nn[nH]n4)cc3)C2)no1 ZINC000735940522 599288032 /nfs/dbraw/zinc/28/80/32/599288032.db2.gz PSOIFLKPUIYTNW-WMLDXEAASA-N 1 0 396.499 2.640 20 0 GFADRO C[C@@H]1C[NH+](CCCNc2ccc(C(F)(F)F)c(-c3nn[nH]n3)c2)C[C@@H](C)O1 ZINC000820759335 607346078 /nfs/dbraw/zinc/34/60/78/607346078.db2.gz JKVQIWXAAYFVID-VXGBXAGGSA-N 1 0 384.406 2.797 20 0 GFADRO O=C(c1ccc(-c2nn[nH]n2)cc1)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000738253735 598233996 /nfs/dbraw/zinc/23/39/96/598233996.db2.gz HFJYSHALQVWAJY-UHFFFAOYSA-N 1 0 390.491 2.647 20 0 GFADRO C[C@@H](NC(=O)N1CCC[C@@H]1C[NH+]1CCCCC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000736114053 598268292 /nfs/dbraw/zinc/26/82/92/598268292.db2.gz UOYMWNTWLMUPDP-CRAIPNDOSA-N 1 0 383.500 2.588 20 0 GFADRO C[C@@H]1C[NH+](CCCNc2ccc(-c3nn[nH]n3)cc2C(F)(F)F)C[C@@H](C)O1 ZINC000736284657 598274818 /nfs/dbraw/zinc/27/48/18/598274818.db2.gz CHHSGHRMQXCLIC-VXGBXAGGSA-N 1 0 384.406 2.797 20 0 GFADRO CCC(CC)[C@H](CNC(=O)Nc1cc(-c2nn[nH]n2)cn1C(C)(C)C)[NH+](C)C ZINC000736337248 598278312 /nfs/dbraw/zinc/27/83/12/598278312.db2.gz JEADFITZEYBHAD-HNNXBMFYSA-N 1 0 390.536 2.911 20 0 GFADRO CCc1noc(-c2ccc(CC[NH2+]Cc3cccc(-c4nn[nH]n4)c3)cc2)n1 ZINC000736711305 598287399 /nfs/dbraw/zinc/28/73/99/598287399.db2.gz VCKFGLZMNPFZOR-UHFFFAOYSA-N 1 0 375.436 2.811 20 0 GFADRO CC1CC[NH+](CCCNC(=S)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)CC1 ZINC000736275842 598318225 /nfs/dbraw/zinc/31/82/25/598318225.db2.gz KAPXWNAOUFKJGL-UHFFFAOYSA-N 1 0 393.948 2.929 20 0 GFADRO CC(C)N(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000736000397 598427914 /nfs/dbraw/zinc/42/79/14/598427914.db2.gz HUMOEEREEKUWJO-INIZCTEOSA-N 1 0 385.516 2.661 20 0 GFADRO CC[C@H](C)[N@H+](C)CCNC(=O)Nc1cc(-c2nn[nH]n2)ccc1OC(C)C ZINC000736321582 598429613 /nfs/dbraw/zinc/42/96/13/598429613.db2.gz CQIZZSICTKKIMF-ZDUSSCGKSA-N 1 0 375.477 2.506 20 0 GFADRO C[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(-c2nn[nH]n2)cc1)c1ccccc1 ZINC000737194939 598433132 /nfs/dbraw/zinc/43/31/32/598433132.db2.gz WQPAXUYOFZSSDZ-MRXNPFEDSA-N 1 0 393.495 2.701 20 0 GFADRO C[C@H](CNC(=O)N(Cc1ccc(-c2nn[nH]n2)cc1)C1CC1)C[NH+]1CCCCC1 ZINC000736016652 598477647 /nfs/dbraw/zinc/47/76/47/598477647.db2.gz BTGVSIJYEOECPF-MRXNPFEDSA-N 1 0 397.527 2.663 20 0 GFADRO Cc1cc(NC[C@H]2CCC[N@@H+](C)C2)n2c3ccccc3nc2c1-c1nn[nH]n1 ZINC000737275462 598503644 /nfs/dbraw/zinc/50/36/44/598503644.db2.gz VWQWNIGKPOZMRP-CQSZACIVSA-N 1 0 376.468 2.730 20 0 GFADRO CCCO[C@H]1CCC[N@H+](CCC(=O)Nc2sccc2-c2nn[nH]n2)CC1 ZINC000736487343 598506239 /nfs/dbraw/zinc/50/62/39/598506239.db2.gz FUNNUIWJGIVCRS-ZDUSSCGKSA-N 1 0 378.502 2.538 20 0 GFADRO CN(C)[C@H](C[NH2+]Cc1cccc(OCc2ccccc2-c2nn[nH]n2)c1)C1CC1 ZINC000736760946 598561884 /nfs/dbraw/zinc/56/18/84/598561884.db2.gz RVQXLWSSLVDHGP-OAQYLSRUSA-N 1 0 392.507 2.876 20 0 GFADRO C[NH+](C)[C@@H]1CCN(C(=O)Nc2ccc(Oc3ccccc3-c3nn[nH]n3)cc2)C1 ZINC000736757440 598623360 /nfs/dbraw/zinc/62/33/60/598623360.db2.gz SSVAGLIIRJTOEK-OAHLLOKOSA-N 1 0 393.451 2.827 20 0 GFADRO O=C(Nc1ccc(F)c(-c2nn[nH]n2)c1)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000738168411 598632973 /nfs/dbraw/zinc/63/29/73/598632973.db2.gz ZYYSXMPDKZCRNJ-MRXNPFEDSA-N 1 0 395.442 2.792 20 0 GFADRO Cc1cccc(CN(CC[NH+](C)C)C(=S)Nc2ccccc2-c2nn[nH]n2)c1 ZINC000737394362 598645904 /nfs/dbraw/zinc/64/59/04/598645904.db2.gz ROSHTRNIHXZTBP-UHFFFAOYSA-N 1 0 395.536 2.936 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cccc(Oc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000736570974 598699019 /nfs/dbraw/zinc/69/90/19/598699019.db2.gz NXIFGXLVLYTPMM-QGZVFWFLSA-N 1 0 392.463 2.873 20 0 GFADRO O=C(C[N@H+]1CC[C@H](c2ccc(Cl)cc2)C1)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000737876527 598708839 /nfs/dbraw/zinc/70/88/39/598708839.db2.gz RIUZFBMLUBEOQC-KRWDZBQOSA-N 1 0 396.882 2.626 20 0 GFADRO Cc1cc(C(=O)N2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)ccc1F ZINC000737232945 598749933 /nfs/dbraw/zinc/74/99/33/598749933.db2.gz BCJBYTHTNFOLOQ-UHFFFAOYSA-N 1 0 394.454 2.662 20 0 GFADRO C[C@@](O)(C[NH+]1CCC(Oc2ccc(-c3nn[nH]n3)cc2)CC1)c1ccccc1 ZINC000736139872 598764758 /nfs/dbraw/zinc/76/47/58/598764758.db2.gz XYWYIDCAUZOPSS-OAQYLSRUSA-N 1 0 379.464 2.618 20 0 GFADRO CCC[N@H+](CC(=O)Nc1c(-c2nn[nH]n2)c(C)c(C)n1Cc1ccco1)C1CC1 ZINC000736468519 598766202 /nfs/dbraw/zinc/76/62/02/598766202.db2.gz DAZCNIMWYALZEN-UHFFFAOYSA-N 1 0 397.483 2.739 20 0 GFADRO C[C@H](C(=O)Nc1cccc(-c2nn[nH]n2)c1)N1CCC[C@@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000735561434 598809308 /nfs/dbraw/zinc/80/93/08/598809308.db2.gz KDDUOGBUULRGNW-YYAJDYIMSA-N 1 0 397.527 2.531 20 0 GFADRO C[C@H](NC(=O)NC[C@@H](c1cccs1)[NH+](C)C)c1cccc(-c2nn[nH]n2)c1 ZINC000820357356 599299421 /nfs/dbraw/zinc/29/94/21/599299421.db2.gz GPXDLBLXNAVTAL-WFASDCNBSA-N 1 0 385.497 2.591 20 0 GFADRO Cc1nc(CN2CCC[N@@H+]([C@H](C)c3ccc(-c4nn[nH]n4)cc3)CC2)oc1C ZINC000737476151 599317826 /nfs/dbraw/zinc/31/78/26/599317826.db2.gz DTWNWXAZLJOQHP-OAHLLOKOSA-N 1 0 381.484 2.740 20 0 GFADRO C[C@H]1SCC[N@H+](CCC(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)[C@H]1C ZINC000736301507 599322286 /nfs/dbraw/zinc/32/22/86/599322286.db2.gz NVEUUGIEJUIMAN-WDEREUQCSA-N 1 0 380.905 2.675 20 0 GFADRO CCS[C@H]1CC[C@@H]([N@H+](C)Cn2c(C)nnc2-c2cccc(-c3nn[nH]n3)c2)C1 ZINC000821446852 599329628 /nfs/dbraw/zinc/32/96/28/599329628.db2.gz DQZIEKJOMNIRPN-SJORKVTESA-N 1 0 398.540 2.997 20 0 GFADRO COc1ccc([C@@H]2[C@H](COC(=O)c3ccc(-c4nn[nH]n4)cc3)CC[N@@H+]2C)cc1 ZINC000737076756 599360603 /nfs/dbraw/zinc/36/06/03/599360603.db2.gz OVKICHPOVXMZIA-PKOBYXMFSA-N 1 0 393.447 2.725 20 0 GFADRO CC(=O)Nc1cccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2cccc(-c3nn[nH]n3)c2)c1 ZINC000819827602 599386404 /nfs/dbraw/zinc/38/64/04/599386404.db2.gz SVPNWTSMAIOEKD-OLZOCXBDSA-N 1 0 393.451 2.503 20 0 GFADRO C[C@@H]([NH2+][C@@H](C)C(=O)N1CCCc2ccccc21)c1cccc(-c2nn[nH]n2)c1 ZINC000820410755 599391448 /nfs/dbraw/zinc/39/14/48/599391448.db2.gz GMPSMCDCXWCEKX-CABCVRRESA-N 1 0 376.464 2.885 20 0 GFADRO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2cccc(-c3nn[nH]n3)c2)cc1OC ZINC000821831490 599391882 /nfs/dbraw/zinc/39/18/82/599391882.db2.gz AXYIMVDICLVLFK-QWHCGFSZSA-N 1 0 396.451 2.562 20 0 GFADRO C[C@@H](NC(=O)NCC1([NH+](C)C)CCCCCC1)c1cccc(-c2nn[nH]n2)c1 ZINC000820358634 599403873 /nfs/dbraw/zinc/40/38/73/599403873.db2.gz OHPMLUFMFSNQGH-OAHLLOKOSA-N 1 0 385.516 2.882 20 0 GFADRO COc1ccc(C[C@H](C)[NH2+]Cc2ccc(OC)c(-c3nn[nH]n3)c2)cc1OC ZINC000821786562 599432904 /nfs/dbraw/zinc/43/29/04/599432904.db2.gz FNAAVVGOWPPPFX-ZDUSSCGKSA-N 1 0 383.452 2.613 20 0 GFADRO COc1ccc(C[NH2+][C@H]2CCN(c3ccc(F)cc3F)C2)cc1-c1nn[nH]n1 ZINC000821808561 599433921 /nfs/dbraw/zinc/43/39/21/599433921.db2.gz ILMRYLYKJYEHJR-AWEZNQCLSA-N 1 0 386.406 2.522 20 0 GFADRO C[C@H](Cc1ccc(Cl)cc1)[N@H+](C)CC(=O)NCc1cccc(-c2nn[nH]n2)c1 ZINC000736056824 599477267 /nfs/dbraw/zinc/47/72/67/599477267.db2.gz QYYQQFLPIFMCPM-CQSZACIVSA-N 1 0 398.898 2.699 20 0 GFADRO C[C@H](CNc1c(-c2nn[nH]n2)cnc2c(F)ccc(F)c21)[N@@H+]1CCC[C@@H](C)C1 ZINC000820711218 599477578 /nfs/dbraw/zinc/47/75/78/599477578.db2.gz VKJUUPPJEPDSGZ-VXGBXAGGSA-N 1 0 387.438 2.647 20 0 GFADRO FC(F)(F)Oc1ccc(C[NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)cc1 ZINC000737626816 599483623 /nfs/dbraw/zinc/48/36/23/599483623.db2.gz LRTPAUXZJWYSAJ-UHFFFAOYSA-N 1 0 389.341 2.703 20 0 GFADRO CCC(CC)[C@@H](CNCc1cnc2ccc(-c3nn[nH]n3)cn12)[NH+]1CCCC1 ZINC000736338006 599484438 /nfs/dbraw/zinc/48/44/38/599484438.db2.gz OASAJFRHNFCJSS-GOSISDBHSA-N 1 0 382.516 2.505 20 0 GFADRO COc1cc(C[NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)ccc1OC(C)C ZINC000737048297 599485049 /nfs/dbraw/zinc/48/50/49/599485049.db2.gz ZATVZRDNGDCDDQ-UHFFFAOYSA-N 1 0 393.451 2.600 20 0 GFADRO CC[C@H]1CCC[N@@H+](C(C)(C)CNCc2cnc3ccc(-c4nn[nH]n4)cn23)C1 ZINC000736402546 599490796 /nfs/dbraw/zinc/49/07/96/599490796.db2.gz NQCUHZALRWHPQB-HNNXBMFYSA-N 1 0 382.516 2.505 20 0 GFADRO COc1ccccc1[C@@H](C)[NH+]1CCN(c2ccc(F)cc2-c2nn[nH]n2)CC1 ZINC000821882448 599525796 /nfs/dbraw/zinc/52/57/96/599525796.db2.gz AYDBLGIDGNQQAP-CQSZACIVSA-N 1 0 382.443 2.898 20 0 GFADRO C[C@@H](C(=O)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)c1cccs1 ZINC000735521195 599561039 /nfs/dbraw/zinc/56/10/39/599561039.db2.gz TVXQCWSHIGZHES-OAHLLOKOSA-N 1 0 396.520 2.766 20 0 GFADRO CN(C[C@H]1CC[N@H+](C)C1)C(=O)c1cccc(Nc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000736846703 599567270 /nfs/dbraw/zinc/56/72/70/599567270.db2.gz ANSNVFPPMNZAKO-HNNXBMFYSA-N 1 0 391.479 2.634 20 0 GFADRO c1cn(CN2CCC[C@H]([NH+]3CCCC3)CC2)nc1-c1ccc(-c2nn[nH]n2)cc1 ZINC000738407625 599581949 /nfs/dbraw/zinc/58/19/49/599581949.db2.gz ZOYSTXKRCZVHIY-IBGZPJMESA-N 1 0 392.511 2.638 20 0 GFADRO Cc1ccccc1[C@H]1C[C@@H](C)[N@@H+](CC(=O)NCc2cccc(-c3nn[nH]n3)c2)C1 ZINC000737424305 599584535 /nfs/dbraw/zinc/58/45/35/599584535.db2.gz XBZCAAXGIJLDSB-APWZRJJASA-N 1 0 390.491 2.669 20 0 GFADRO COc1ccccc1[C@@H]1CC[N@H+](CCC(=O)Nc2sccc2-c2nn[nH]n2)C1 ZINC000737146596 599592263 /nfs/dbraw/zinc/59/22/63/599592263.db2.gz HQXXIQIFTKUXCA-CYBMUJFWSA-N 1 0 398.492 2.755 20 0 GFADRO Cc1ccc([C@@H]2C[C@@H](C)CC[N@@H+]2C[C@H](O)COc2ccc(-c3nn[nH]n3)cc2)o1 ZINC000822233523 599592416 /nfs/dbraw/zinc/59/24/16/599592416.db2.gz QQWFOKIIZYHKQA-FNHZYXHNSA-N 1 0 397.479 2.981 20 0 GFADRO O[C@H](C[C@H]1CCC[N@@H+]1CCOc1cccc(-c2nn[nH]n2)c1)c1ccccc1 ZINC000823672884 599593232 /nfs/dbraw/zinc/59/32/32/599593232.db2.gz HQARBBCXXPKVHH-UYAOXDASSA-N 1 0 379.464 2.834 20 0 GFADRO O[C@@H](C[C@@H]1CCC[N@@H+]1CCOc1cccc(-c2nn[nH]n2)c1)c1ccccc1 ZINC000823672879 599593488 /nfs/dbraw/zinc/59/34/88/599593488.db2.gz HQARBBCXXPKVHH-ICSRJNTNSA-N 1 0 379.464 2.834 20 0 GFADRO C[C@H](NC(=O)N1CCC[N@@H+](C2CCCC2)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000736110366 599608770 /nfs/dbraw/zinc/60/87/70/599608770.db2.gz AYGUEOXLLYRXQJ-HNNXBMFYSA-N 1 0 383.500 2.588 20 0 GFADRO OC[C@H]1CCC[N@H+](Cc2cccc(OCc3ccccc3-c3nn[nH]n3)c2)C1 ZINC000823713167 607386446 /nfs/dbraw/zinc/38/64/46/607386446.db2.gz DQLNFAWWGGSJGI-KRWDZBQOSA-N 1 0 379.464 2.650 20 0 GFADRO COc1cccc(NC(=O)CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C2CC2)c1 ZINC000821873094 599636665 /nfs/dbraw/zinc/63/66/65/599636665.db2.gz RIHPURALUVHKNM-UHFFFAOYSA-N 1 0 392.463 2.869 20 0 GFADRO CC[NH+](CC)[C@H](CNC(=O)N[C@H](C)c1cccc(-c2nn[nH]n2)c1)c1ccco1 ZINC000821182183 599673299 /nfs/dbraw/zinc/67/32/99/599673299.db2.gz SGNSPWUEGGLTEX-RHSMWYFYSA-N 1 0 397.483 2.903 20 0 GFADRO CC[N@H+](C)Cc1cccc(CNC(=O)N[C@H](C)c2cccc(-c3nn[nH]n3)c2)c1 ZINC000821165064 599673488 /nfs/dbraw/zinc/67/34/88/599673488.db2.gz OIUMEFKGISZUGH-OAHLLOKOSA-N 1 0 393.495 2.879 20 0 GFADRO CCOc1ccc(-c2nn[nH]n2)cc1NC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000821407261 599692812 /nfs/dbraw/zinc/69/28/12/599692812.db2.gz PZWSBBZNSBXAEG-CVEARBPZSA-N 1 0 399.499 2.744 20 0 GFADRO O=C(NCc1cccc(-c2nn[nH]n2)c1)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000823252988 599693129 /nfs/dbraw/zinc/69/31/29/599693129.db2.gz CNKJGNSCRWKZNZ-LJQANCHMSA-N 1 0 376.464 2.538 20 0 GFADRO COc1ccc(-c2nn[nH]n2)cc1NC(=O)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000821765882 599699166 /nfs/dbraw/zinc/69/91/66/599699166.db2.gz MRRJAVCTVRLNRO-UHFFFAOYSA-N 1 0 387.403 2.688 20 0 GFADRO Cc1cc[nH+]c(NC[C@H]2CC[N@@H+]([C@@H](C)C(=O)NCc3ccc(C(=O)[O-])cc3)C2)c1 ZINC000738798442 600096688 /nfs/dbraw/zinc/09/66/88/600096688.db2.gz QGOQOABKSINPFM-FUHWJXTLSA-N 1 0 396.491 2.527 20 0 GFADRO O=C([O-])[C@H]([NH2+]CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1)c1ccc(F)cc1 ZINC000739505685 600182279 /nfs/dbraw/zinc/18/22/79/600182279.db2.gz DVOPNNQRGZSQBK-NHCUHLMSSA-N 1 0 386.467 2.987 20 0 GFADRO O=C([O-])[C@@H]([NH2+]CC1CC[NH+](C[C@H](O)c2ccccc2)CC1)c1ccc(F)cc1 ZINC000739505689 600182295 /nfs/dbraw/zinc/18/22/95/600182295.db2.gz DVOPNNQRGZSQBK-SFTDATJTSA-N 1 0 386.467 2.987 20 0 GFADRO CC[NH+](CC)C[C@H](C)NC(=O)Nc1ccc(OC(C)C)c(-c2nn[nH]n2)c1 ZINC000821182530 607428483 /nfs/dbraw/zinc/42/84/83/607428483.db2.gz WBUWNRIQYQCYGK-ZDUSSCGKSA-N 1 0 375.477 2.506 20 0 GFADRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)NC2(c3cccc(-c4nn[nH]n4)c3)CC2)C1 ZINC000824877346 607449956 /nfs/dbraw/zinc/44/99/56/607449956.db2.gz XOTVTCWOSXTUHJ-HOTGVXAUSA-N 1 0 397.527 2.523 20 0 GFADRO C[C@@H]([C@H]1Cc2ccccc2O1)[N@H+](C)CCC(=O)Nc1ccccc1-c1nn[nH]n1 ZINC000824377281 607472437 /nfs/dbraw/zinc/47/24/37/607472437.db2.gz AQOQIOAHEXGPKI-IFXJQAMLSA-N 1 0 392.463 2.519 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@@H+]1Cc1cc(F)ccc1-c1nn[nH]n1 ZINC000824894570 607474474 /nfs/dbraw/zinc/47/44/74/607474474.db2.gz YVWUOJYEQYETBV-IUODEOHRSA-N 1 0 390.463 2.883 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000829765441 601055348 /nfs/dbraw/zinc/05/53/48/601055348.db2.gz UXQLVZORRNXNFW-HNNXBMFYSA-N 1 0 396.919 2.918 20 0 GFADRO COc1ccc(CN2CCC[C@H](C[NH+]3CCC(C)CC3)C2)cc1-c1nn[nH]n1 ZINC000826194215 607491448 /nfs/dbraw/zinc/49/14/48/607491448.db2.gz FPCWAITVDGXDDM-GOSISDBHSA-N 1 0 384.528 2.819 20 0 GFADRO COc1ccc(CN2CC[N@H+](Cc3ccccc3)C[C@H]2C)cc1-c1nn[nH]n1 ZINC000826195430 607499670 /nfs/dbraw/zinc/49/96/70/607499670.db2.gz UIPRRHMNOYPMIH-MRXNPFEDSA-N 1 0 378.480 2.582 20 0 GFADRO COc1ccc(C[N@H+](C)[C@@H]2CCCN(Cc3ccccc3)C2)cc1-c1nn[nH]n1 ZINC000826192132 607508101 /nfs/dbraw/zinc/50/81/01/607508101.db2.gz AOGBNVMJZUZCRD-LJQANCHMSA-N 1 0 392.507 2.972 20 0 GFADRO COc1ccc(C[NH+]2CCC(C(=O)NC3CCCCC3)CC2)cc1-c1nn[nH]n1 ZINC000826193421 607517202 /nfs/dbraw/zinc/51/72/02/607517202.db2.gz CKKGRKJZMUZLPJ-UHFFFAOYSA-N 1 0 398.511 2.536 20 0 GFADRO COc1ccc(C[NH+]2CCC(NC(=O)C3CCCCC3)CC2)cc1-c1nn[nH]n1 ZINC000826194552 607517603 /nfs/dbraw/zinc/51/76/03/607517603.db2.gz PFJOWGBDDYENNM-UHFFFAOYSA-N 1 0 398.511 2.536 20 0 GFADRO C[C@@H]1C[N@@H+](Cc2ccc(C[NH2+]C[C@H]3CCCN(C(=O)[O-])C3)cc2)C[C@H](C)O1 ZINC000739186070 603265168 /nfs/dbraw/zinc/26/51/68/603265168.db2.gz DVAKMOSSWSUJFQ-FUHIMQAGSA-N 1 0 375.513 2.775 20 0 GFADRO CC(C)(C)c1ccc(C[NH2+]C[C@H](O)COc2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000824135163 607636260 /nfs/dbraw/zinc/63/62/60/607636260.db2.gz BNERULJPVNLBPC-SFHVURJKSA-N 1 0 381.480 2.694 20 0 GFADRO COc1ccc(-c2nn[nH]n2)cc1C[NH+]1CCC2(CC1)OCc1ccccc12 ZINC000826182375 607640070 /nfs/dbraw/zinc/64/00/70/607640070.db2.gz ICYPDEJGYWRHLR-UHFFFAOYSA-N 1 0 377.448 2.897 20 0 GFADRO Cc1cc(-c2nn[nH]n2)ccc1C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000826248665 607673819 /nfs/dbraw/zinc/67/38/19/607673819.db2.gz RXPGZXPZNUFEQA-GOSISDBHSA-N 1 0 390.491 2.817 20 0 GFADRO C[C@@H]1C[N@@H+](Cc2ccc(C[NH2+]CC3CCN(C(=O)[O-])CC3)cc2)C[C@H](C)O1 ZINC000826059661 604499373 /nfs/dbraw/zinc/49/93/73/604499373.db2.gz YEVPUUHZVOIGSN-CALCHBBNSA-N 1 0 375.513 2.775 20 0 GFADRO C[C@H]1C[NH+](Cc2ccc(C[NH2+]CC3CCN(C(=O)[O-])CC3)cc2)C[C@H](C)O1 ZINC000826059663 604499696 /nfs/dbraw/zinc/49/96/96/604499696.db2.gz YEVPUUHZVOIGSN-IRXDYDNUSA-N 1 0 375.513 2.775 20 0 GFADRO CCCN(C(=O)c1ccc(-c2nn[nH]n2)[nH]1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000825301221 607719126 /nfs/dbraw/zinc/71/91/26/607719126.db2.gz KDPPDZIQRFHJAS-KRWDZBQOSA-N 1 0 393.495 2.712 20 0 GFADRO C[C@@H]([NH2+]C1(CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)CCCC1)c1ccccc1 ZINC000824540306 607738612 /nfs/dbraw/zinc/73/86/12/607738612.db2.gz VXWSQKZLBGLPFF-CQSZACIVSA-N 1 0 379.468 2.588 20 0 GFADRO CC(C)(C)c1ccc(C(C)(C)[NH2+]C[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)cc1 ZINC000824136731 607751899 /nfs/dbraw/zinc/75/18/99/607751899.db2.gz VLZFZGBJDQGOSD-CQSZACIVSA-N 1 0 394.527 2.927 20 0 GFADRO O=C(NCC[NH+]1CCC1)c1cccc(Oc2ccc(Cl)cc2-c2nn[nH]n2)c1 ZINC000826437630 607765761 /nfs/dbraw/zinc/76/57/61/607765761.db2.gz UQSNESDISQPBDF-UHFFFAOYSA-N 1 0 398.854 2.748 20 0 GFADRO Cc1cc(C)c(-c2nn[nH]n2)c(N(C)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)n1 ZINC000822192035 606046322 /nfs/dbraw/zinc/04/63/22/606046322.db2.gz XHAOGFPEJRBPNA-GOSISDBHSA-N 1 0 377.496 2.979 20 0 GFADRO CC[C@@H]1C[N@@H+]([C@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)CC[C@H]1c1ccccc1 ZINC000820993975 606111737 /nfs/dbraw/zinc/11/17/37/606111737.db2.gz CZONMKJJBQPFGM-YSGRDPCXSA-N 1 0 390.491 2.909 20 0 GFADRO O=C(c1ccc(C[NH2+]Cc2cc(-c3nn[nH]n3)cs2)cc1)N1CCCCC1 ZINC000823487702 606209308 /nfs/dbraw/zinc/20/93/08/606209308.db2.gz GJLNGEDIJHSAID-UHFFFAOYSA-N 1 0 382.493 2.844 20 0 GFADRO CC(C)C[C@@H](CNC(=O)OC(C)(C)C)[NH2+]Cc1cc(-c2nn[nH]n2)cs1 ZINC000820056014 606217752 /nfs/dbraw/zinc/21/77/52/606217752.db2.gz MLYNAGHNJFCQCX-ZDUSSCGKSA-N 1 0 380.518 2.957 20 0 GFADRO C[C@@H]([NH2+]C1(CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)CCCC1)c1ccccc1 ZINC000820413183 606272542 /nfs/dbraw/zinc/27/25/42/606272542.db2.gz OWYGNIHMFGKWTR-CQSZACIVSA-N 1 0 379.468 2.588 20 0 GFADRO CCOc1ccc([C@@H](C)[NH2+][C@H]2CCN(c3sccc3-c3nn[nH]n3)C2=O)cc1 ZINC000821418267 606299237 /nfs/dbraw/zinc/29/92/37/606299237.db2.gz YIYMDVXNKQVNMI-WBMJQRKESA-N 1 0 398.492 2.783 20 0 GFADRO O=C(NCC[NH+]1CCCC1)c1ccc(Sc2ccccc2-c2nn[nH]n2)cc1 ZINC000823196918 606314137 /nfs/dbraw/zinc/31/41/37/606314137.db2.gz MPTLGQRTXVKPLD-UHFFFAOYSA-N 1 0 394.504 2.844 20 0 GFADRO CC(C)(C)OC(=O)NC[C@](C)([NH2+]Cc1ccc(-c2nn[nH]n2)s1)C1CC1 ZINC000819939921 606336894 /nfs/dbraw/zinc/33/68/94/606336894.db2.gz LNVNQYJDPKUKCC-KRWDZBQOSA-N 1 0 378.502 2.711 20 0 GFADRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)Nc2ccc(F)cc2-c2nn[nH]n2)C1 ZINC000821614564 606358875 /nfs/dbraw/zinc/35/88/75/606358875.db2.gz LAUMEMCIUCUVDB-MRXNPFEDSA-N 1 0 395.442 2.744 20 0 GFADRO CC[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)N[C@H](C)c1cccc(-c2nn[nH]n2)c1 ZINC000821002285 606393520 /nfs/dbraw/zinc/39/35/20/606393520.db2.gz VLRKEVAKIGPOJI-ZTFGCOKTSA-N 1 0 383.500 2.586 20 0 GFADRO O=C(c1ccc(C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)cc1)N1CCCCC1 ZINC000823487546 606406525 /nfs/dbraw/zinc/40/65/25/606406525.db2.gz DXFQWTVRVZTCQY-UHFFFAOYSA-N 1 0 382.493 2.844 20 0 GFADRO FC(F)(F)c1ccc(NCCC[NH2+]Cc2ccc(-c3nn[nH]n3)s2)nc1 ZINC000822728914 606409782 /nfs/dbraw/zinc/40/97/82/606409782.db2.gz MWCNMSLPLWPRMD-UHFFFAOYSA-N 1 0 383.403 2.934 20 0 GFADRO CC[NH+](CC)[C@@H](CNC(=O)c1ccc(-c2nn[nH]n2)s1)Cc1ccccc1 ZINC000821180765 606524843 /nfs/dbraw/zinc/52/48/43/606524843.db2.gz HBMFAJBVEOIDEN-OAHLLOKOSA-N 1 0 384.509 2.611 20 0 GFADRO CC[NH+](CC)Cc1cccc(CNC(=O)Cc2cccc(-c3nn[nH]n3)c2)c1 ZINC000821196546 606527487 /nfs/dbraw/zinc/52/74/87/606527487.db2.gz ABONLCLYYNERJU-UHFFFAOYSA-N 1 0 378.480 2.567 20 0 GFADRO Cc1ccccc1C[NH+]1CCC(NC(=O)c2cc(-c3nn[nH]n3)cs2)CC1 ZINC000822355993 606537618 /nfs/dbraw/zinc/53/76/18/606537618.db2.gz FRZMRAWSINKLKH-UHFFFAOYSA-N 1 0 382.493 2.631 20 0 GFADRO C[NH+](C)CCN(Cc1cccs1)C(=O)C=Cc1ccccc1-c1nn[nH]n1 ZINC000821587336 606553065 /nfs/dbraw/zinc/55/30/65/606553065.db2.gz SBNUVUUCTCFPNO-KTKRTIGZSA-N 1 0 382.493 2.532 20 0 GFADRO C[C@H](C(=O)OCc1ccc(-c2nn[nH]n2)cc1OC(F)F)[NH+]1[C@H](C)CC[C@H]1C ZINC000820683451 606560321 /nfs/dbraw/zinc/56/03/21/606560321.db2.gz BHTFXBMRHKEATJ-IJLUTSLNSA-N 1 0 395.410 2.773 20 0 GFADRO CC(C)N(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000820116312 606602997 /nfs/dbraw/zinc/60/29/97/606602997.db2.gz HAJOEIFNXPTUHR-MSOLQXFVSA-N 1 0 385.516 2.660 20 0 GFADRO C[C@H]1CC/C(=C/C(=O)N2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC000820678218 606617298 /nfs/dbraw/zinc/61/72/98/606617298.db2.gz TZFYIEDMQHHEDV-IYWFSZBXSA-N 1 0 380.496 2.647 20 0 GFADRO COc1cc(OC)cc(OCCC[NH2+]Cc2ccc(-c3nn[nH]n3)s2)c1 ZINC000821723631 606635287 /nfs/dbraw/zinc/63/52/87/606635287.db2.gz GQCLRGMGXRFFGR-UHFFFAOYSA-N 1 0 375.454 2.504 20 0 GFADRO CC(C)[C@H]([NH2+]Cc1cnc2ccc(-c3nn[nH]n3)cn12)c1nc2ccccc2[nH]1 ZINC000820025693 606638997 /nfs/dbraw/zinc/63/89/97/606638997.db2.gz CBGYNJIHUQEFEP-SFHVURJKSA-N 1 0 387.451 2.878 20 0 GFADRO CC(C)n1cnnc1[C@H]1CCC[N@H+](CCCOc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000820215639 606654632 /nfs/dbraw/zinc/65/46/32/606654632.db2.gz YACHDLUNPWHPOL-KRWDZBQOSA-N 1 0 396.499 2.688 20 0 GFADRO O=C(c1c(F)cc(-c2nn[nH]n2)cc1F)N1C[C@H]2CCC[N@@H+]2Cc2ccccc21 ZINC000823453961 606672969 /nfs/dbraw/zinc/67/29/69/606672969.db2.gz GXOWMFXAPDXOJG-CQSZACIVSA-N 1 0 396.401 2.770 20 0 GFADRO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)C1 ZINC000820980650 606683230 /nfs/dbraw/zinc/68/32/30/606683230.db2.gz MCLADWPVONNUSK-LBPRGKRZSA-N 1 0 392.454 2.775 20 0 GFADRO O=C(NC1CC[NH+](C2CCCCC2)CC1)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000823149654 606685529 /nfs/dbraw/zinc/68/55/29/606685529.db2.gz FJIANTHZWFUWGK-UHFFFAOYSA-N 1 0 390.438 2.672 20 0 GFADRO Cc1ccc([C@H](C)[NH2+][C@H]2CCN(c3sccc3-c3nn[nH]n3)C2=O)cc1F ZINC000822229261 606716852 /nfs/dbraw/zinc/71/68/52/606716852.db2.gz QESGHZCPKATQFB-NHYWBVRUSA-N 1 0 386.456 2.832 20 0 GFADRO CCCC[N@H+](CC)Cc1cccc(CNC(=O)c2ccc(-c3nn[nH]n3)nc2)c1 ZINC000821061022 606743420 /nfs/dbraw/zinc/74/34/20/606743420.db2.gz KGIQHHYHVQTXCX-UHFFFAOYSA-N 1 0 393.495 2.814 20 0 GFADRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)Nc2cc(-c3nn[nH]n3)cn2C(C)(C)C)C1 ZINC000820092762 606767526 /nfs/dbraw/zinc/76/75/26/606767526.db2.gz OWIGIQIMTKBVCK-CQSZACIVSA-N 1 0 388.520 2.523 20 0 GFADRO COC(=O)N1CCC([NH2+]Cc2cccc(-c3ccc(-c4nn[nH]n4)s3)c2)CC1 ZINC000821665052 606771952 /nfs/dbraw/zinc/77/19/52/606771952.db2.gz SWQHHIMVBVNPND-UHFFFAOYSA-N 1 0 398.492 2.916 20 0 GFADRO C[N@H+](Cc1cn2ccccc2c1-c1nn[nH]n1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000821615839 606796667 /nfs/dbraw/zinc/79/66/67/606796667.db2.gz QDGMOCKVCMSRBX-LJQANCHMSA-N 1 0 387.491 2.826 20 0 GFADRO COc1ccc([C@@H]2CCC[N@@H+]2C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)c(OC)c1 ZINC000821786424 606850693 /nfs/dbraw/zinc/85/06/93/606850693.db2.gz DHWVPKXULXZDQM-RBUKOAKNSA-N 1 0 395.463 2.754 20 0 GFADRO C[N@@H+](Cc1cccc(Br)c1)C[C@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821613657 606856046 /nfs/dbraw/zinc/85/60/46/606856046.db2.gz XCDMLXSFQHEISH-INIZCTEOSA-N 1 0 388.269 2.795 20 0 GFADRO C[C@H](C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)[N@H+](C)CCC1CCOCC1 ZINC000819867094 606880620 /nfs/dbraw/zinc/88/06/20/606880620.db2.gz RFGNLRMHFDAHBT-GFCCVEGCSA-N 1 0 392.891 2.596 20 0 GFADRO Cc1cccc(NC[C@H]2CC[N@H+](CCCOc3cccc(-c4nn[nH]n4)c3)C2)n1 ZINC000822323243 606900989 /nfs/dbraw/zinc/90/09/89/606900989.db2.gz AWVDHOIOTOVQHP-QGZVFWFLSA-N 1 0 393.495 2.773 20 0 GFADRO FC(F)(F)CO[C@@H]1CCC[N@H+](CCCOc2cccc(-c3nn[nH]n3)c2)C1 ZINC000822719134 606901660 /nfs/dbraw/zinc/90/16/60/606901660.db2.gz ZUNKVANUBUASPY-OAHLLOKOSA-N 1 0 385.390 2.679 20 0 GFADRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1ccccc1-c1ccccc1-c1nn[nH]n1 ZINC000820752437 606904477 /nfs/dbraw/zinc/90/44/77/606904477.db2.gz NBXZVFBWAVUCDU-VBKZILBWSA-N 1 0 388.475 2.746 20 0 GFADRO CCCC[N@H+](C)CC1CCN(c2nnc(CC)c(CC)c2-c2nn[nH]n2)CC1 ZINC000821060633 606910596 /nfs/dbraw/zinc/91/05/96/606910596.db2.gz FTBOABRZBWEWMG-UHFFFAOYSA-N 1 0 386.548 2.730 20 0 GFADRO CCc1nnc(NC[C@@H](c2ccc(C)o2)[NH+]2CCCC2)c(-c2nn[nH]n2)c1CC ZINC000821536734 606929242 /nfs/dbraw/zinc/92/92/42/606929242.db2.gz YALAJHYYVMIZGS-INIZCTEOSA-N 1 0 396.499 2.932 20 0 GFADRO CCOc1ccc(-c2nn[nH]n2)cc1NC(=O)N(CC[NH+](C)C)C1CCCC1 ZINC000821407101 606952893 /nfs/dbraw/zinc/95/28/93/606952893.db2.gz OOUFVOSTBATCER-UHFFFAOYSA-N 1 0 387.488 2.604 20 0 GFADRO CC(C)(C)OC(=O)NCC1CC[NH+](Cc2ccc(F)c(-c3nn[nH]n3)c2)CC1 ZINC000819939625 606965165 /nfs/dbraw/zinc/96/51/65/606965165.db2.gz HINQCRKSRVBWIN-UHFFFAOYSA-N 1 0 390.463 2.743 20 0 GFADRO O[C@H](C[C@@H]1CCC[N@@H+]1Cc1cn2ccccc2c1-c1nn[nH]n1)c1ccco1 ZINC000823673158 606986167 /nfs/dbraw/zinc/98/61/67/606986167.db2.gz JNCOFRQKZRUXLX-DOTOQJQBSA-N 1 0 378.436 2.801 20 0 GFADRO CC=C(C=CC(=O)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)CC ZINC000820826980 606987165 /nfs/dbraw/zinc/98/71/65/606987165.db2.gz PMDNEMRLPASPBU-OLDUSFPJSA-N 1 0 380.496 2.814 20 0 GFADRO c1ccc(C[N@@H+]2CCC[C@@H]3CN(c4ncccc4-c4nn[nH]n4)CC[C@@H]32)cc1 ZINC000823779338 607031772 /nfs/dbraw/zinc/03/17/72/607031772.db2.gz AOKQHKNPSVFTFQ-MJGOQNOKSA-N 1 0 375.480 2.753 20 0 GFADRO CN(C(=O)OC(C)(C)C)C1CC[NH+](Cc2cc(F)ccc2-c2nn[nH]n2)CC1 ZINC000821571953 607063709 /nfs/dbraw/zinc/06/37/09/607063709.db2.gz MHDINFOKFQZYHM-UHFFFAOYSA-N 1 0 390.463 2.837 20 0 GFADRO CC(C)Oc1ccc(-c2nn[nH]n2)cc1NC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000820152049 607064856 /nfs/dbraw/zinc/06/48/56/607064856.db2.gz RXIJUZSYTFMRHL-WBVHZDCISA-N 1 0 399.499 2.602 20 0 GFADRO C[C@@H]([NH2+][C@@H](C)c1cccc(NS(C)(=O)=O)c1)c1cccc(-c2nn[nH]n2)c1 ZINC000820414295 607088225 /nfs/dbraw/zinc/08/82/25/607088225.db2.gz XOTRZSXLKPVTQQ-OLZOCXBDSA-N 1 0 386.481 2.650 20 0 GFADRO CC(C)OC[C@H](O)C[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)Cc1cccc(F)c1 ZINC000820142164 607098313 /nfs/dbraw/zinc/09/83/13/607098313.db2.gz IIHXKTCNWVVIKW-HXUWFJFHSA-N 1 0 399.470 2.794 20 0 GFADRO CCOc1ccccc1NC(=O)CC[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC000821438325 607101538 /nfs/dbraw/zinc/10/15/38/607101538.db2.gz ZEXLDYHWHUVMSG-UHFFFAOYSA-N 1 0 380.452 2.726 20 0 GFADRO CN(C(=O)C1CC[NH+](Cc2ccccc2)CC1)c1ccccc1-c1nn[nH]n1 ZINC000825812498 607786269 /nfs/dbraw/zinc/78/62/69/607786269.db2.gz LEWYMWXEKORNOW-UHFFFAOYSA-N 1 0 376.464 2.742 20 0 GFADRO C[C@@H]1C[C@@H](CCNC(=O)c2cc(-c3nn[nH]n3)cs2)C[N@@H+]1Cc1ccccc1 ZINC000824877231 607795445 /nfs/dbraw/zinc/79/54/45/607795445.db2.gz XHADJJHAFUCFDV-GDBMZVCRSA-N 1 0 396.520 2.959 20 0 GFADRO Fc1ccc(F)c2c1CC[C@@H]2[NH2+]C1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1 ZINC000826375369 607813040 /nfs/dbraw/zinc/81/30/40/607813040.db2.gz KVLLQRNQWLVNSX-KRWDZBQOSA-N 1 0 397.433 2.786 20 0 GFADRO O=S(=O)(CC[NH2+][C@@H]1CC[C@@H]2CCCC[C@H]2C1)c1cccc(-c2nn[nH]n2)c1 ZINC000826485498 607815214 /nfs/dbraw/zinc/81/52/14/607815214.db2.gz SPWHREGHXNZJQZ-YQQAZPJKSA-N 1 0 389.525 2.589 20 0 GFADRO CC(C)C[C@H]1CCCC[N@@H+]1CCS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000824245373 607815820 /nfs/dbraw/zinc/81/58/20/607815820.db2.gz YDWFONZNHNKSOH-MRXNPFEDSA-N 1 0 377.514 2.541 20 0 GFADRO C[N@@H+]1CC[C@H](NC(=S)Nc2ccccc2-c2nn[nH]n2)[C@@H]1c1ccccc1 ZINC000826029795 607968123 /nfs/dbraw/zinc/96/81/23/607968123.db2.gz WUYXBAWVGJQFSB-IRXDYDNUSA-N 1 0 379.493 2.599 20 0 GFADRO C[C@H](NC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1)c1cccc(-c2nn[nH]n2)c1 ZINC000824499872 607980058 /nfs/dbraw/zinc/98/00/58/607980058.db2.gz RSHPVLCYMUNBRC-GDIGMMSISA-N 1 0 391.479 2.672 20 0 GFADRO C[C@H](NC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1)c1cccc(-c2nn[nH]n2)c1 ZINC000824499875 607980287 /nfs/dbraw/zinc/98/02/87/607980287.db2.gz RSHPVLCYMUNBRC-ZOCIIQOWSA-N 1 0 391.479 2.672 20 0 GFADRO C[C@H]([NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)c1cccc(N2CCCC2=O)c1 ZINC000824611706 607986134 /nfs/dbraw/zinc/98/61/34/607986134.db2.gz DADYWPZPGQYIAD-ZDUSSCGKSA-N 1 0 380.427 2.983 20 0 GFADRO C[C@@H](c1cccc2ccccc21)[N@H+](C)CCCc1[nH]nc(N)c1-c1nn[nH]n1 ZINC000824769754 608035424 /nfs/dbraw/zinc/03/54/24/608035424.db2.gz ARDLUBMQOHUYHQ-ZDUSSCGKSA-N 1 0 376.468 2.951 20 0 GFADRO Fc1ccc(Br)c(C[NH2+]CCOc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000826373550 608055073 /nfs/dbraw/zinc/05/50/73/608055073.db2.gz QJGDYXBTEOBGIZ-UHFFFAOYSA-N 1 0 392.232 2.937 20 0 GFADRO COc1ccc([C@@](C)(O)[C@H]2CCC[N@@H+]2Cc2ccc(F)c(-c3nn[nH]n3)c2)cc1 ZINC000826187742 608064628 /nfs/dbraw/zinc/06/46/28/608064628.db2.gz DAULWRPESXREQB-TZIWHRDSSA-N 1 0 397.454 2.887 20 0 GFADRO CN1CC[C@@H]([NH2+]Cc2cc(-c3nn[nH]n3)cs2)[C@@H]1c1ccc(F)c(F)c1 ZINC000826028954 608113631 /nfs/dbraw/zinc/11/36/31/608113631.db2.gz LDBJSWDWAFNIIZ-CVEARBPZSA-N 1 0 376.436 2.741 20 0 GFADRO Cc1oc(NC(=O)C[N@@H+]2CC[C@H](c3ccc(C)cc3)C2)c(-c2nn[nH]n2)c1C ZINC000826285648 608127761 /nfs/dbraw/zinc/12/77/61/608127761.db2.gz FWGAZRNNTUUMMM-INIZCTEOSA-N 1 0 380.452 2.813 20 0 GFADRO c1ccc2c(c1)nnc(-c1nn[nH]n1)c2NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000826523175 608243421 /nfs/dbraw/zinc/24/34/21/608243421.db2.gz DDWYEAFUGZGNOJ-UHFFFAOYSA-N 1 0 387.451 2.533 20 0 GFADRO Cc1ccc(-c2nn[nH]n2)cc1NC(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000826277920 608262066 /nfs/dbraw/zinc/26/20/66/608262066.db2.gz LNADNKVWDBSFBV-UHFFFAOYSA-N 1 0 392.467 2.608 20 0 GFADRO Cc1cccc(NC(=O)C[C@@H](C)[NH2+]CCOc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000826298604 608279957 /nfs/dbraw/zinc/27/99/57/608279957.db2.gz ANDJWQWLCWWMDT-OAHLLOKOSA-N 1 0 380.452 2.561 20 0 GFADRO COc1cc(F)c([C@H](C)[NH2+]CCOc2ccc(-c3nn[nH]n3)cc2)cc1OC ZINC000826179972 608280063 /nfs/dbraw/zinc/28/00/63/608280063.db2.gz NHDWJEUEGKPFDY-LBPRGKRZSA-N 1 0 387.415 2.753 20 0 GFADRO C[C@H]([NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)c1ccc(N2CCOC2=O)cc1 ZINC000824604889 608283785 /nfs/dbraw/zinc/28/37/85/608283785.db2.gz FDQYBIYPEAZUHQ-LBPRGKRZSA-N 1 0 382.399 2.813 20 0 GFADRO COc1ccc(C[NH2+][C@@H](C)c2cnn(-c3ccccc3)c2)cc1-c1nn[nH]n1 ZINC000826202246 608286937 /nfs/dbraw/zinc/28/69/37/608286937.db2.gz SUZPVNVICXSEAJ-AWEZNQCLSA-N 1 0 375.436 2.912 20 0 GFADRO O[C@H](C[NH+]1CC(c2nc3ccccc3s2)C1)c1ccc(-c2nn[nH]n2)cc1 ZINC000826502321 608321481 /nfs/dbraw/zinc/32/14/81/608321481.db2.gz AVVBZAVBUPRJKS-MRXNPFEDSA-N 1 0 378.461 2.609 20 0 GFADRO C[C@@H](CC[NH+](C)C)NC(=O)NCc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000824400136 608350794 /nfs/dbraw/zinc/35/07/94/608350794.db2.gz AQMNWVXHWSBEMD-HNNXBMFYSA-N 1 0 393.495 2.673 20 0 GFADRO CC(C)[N@H+](C)CCNC(=O)NCc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000824284830 608350947 /nfs/dbraw/zinc/35/09/47/608350947.db2.gz OCXOCSQPQCYRCB-UHFFFAOYSA-N 1 0 393.495 2.673 20 0 GFADRO CCN(C[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2OC)C1)CC(F)(F)F ZINC000825417013 608366471 /nfs/dbraw/zinc/36/64/71/608366471.db2.gz OAUIJXQEFGMHSG-CYBMUJFWSA-N 1 0 398.433 2.581 20 0 GFADRO COc1cc(-c2nn[nH]n2)ccc1C[N@@H+]1CC[C@@H](COCc2ccccc2)C1 ZINC000826168144 608366892 /nfs/dbraw/zinc/36/68/92/608366892.db2.gz DIKBBSHJWKUXGY-QGZVFWFLSA-N 1 0 379.464 2.914 20 0 GFADRO COc1cc(-c2nn[nH]n2)ccc1C[N@@H+]1CCC[C@H]1C[C@@H](O)c1ccccc1 ZINC000826169127 608367401 /nfs/dbraw/zinc/36/74/01/608367401.db2.gz IYSOWLYCSWRFOB-RBUKOAKNSA-N 1 0 379.464 2.963 20 0 GFADRO COc1cc(-c2nn[nH]n2)ccc1C[N@@H+]1CCCC[C@H]1[C@@H](O)c1ccccc1 ZINC000826168879 608370209 /nfs/dbraw/zinc/37/02/09/608370209.db2.gz BBVGGHAHISSCLH-ICSRJNTNSA-N 1 0 379.464 2.963 20 0 GFADRO O[C@@]1(Cc2cccc(Cl)c2)CC[N@H+](Cc2ccc(F)cc2-c2nn[nH]n2)C1 ZINC000826506287 608379656 /nfs/dbraw/zinc/37/96/56/608379656.db2.gz QYVALZBULFPEFO-LJQANCHMSA-N 1 0 387.846 2.839 20 0 GFADRO COc1ccc(C)cc1[C@H](C)[NH2+]CCC(=O)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000826190194 608429398 /nfs/dbraw/zinc/42/93/98/608429398.db2.gz SUAULHFXMNEHNY-AWEZNQCLSA-N 1 0 380.452 2.863 20 0 GFADRO CC(C)Oc1ccc([C@@H](C)[NH2+]CC(=O)Nc2cccc(-c3nn[nH]n3)c2)cc1 ZINC000824324850 608437941 /nfs/dbraw/zinc/43/79/41/608437941.db2.gz WSZVAEMHALNZCG-CQSZACIVSA-N 1 0 380.452 2.943 20 0 GFADRO COc1cc([C@H](C)[NH2+][C@H](C)c2ccc(-c3nn[nH]n3)cc2)ccc1OCCO ZINC000826177283 608470584 /nfs/dbraw/zinc/47/05/84/608470584.db2.gz BKMZKJGAVYGKJC-KGLIPLIRSA-N 1 0 383.452 2.658 20 0 GFADRO C[C@@H]([NH2+]CC(=O)N[C@@H](c1ccccc1)C1CC1)c1cccc(-c2nn[nH]n2)c1 ZINC000824554722 608484367 /nfs/dbraw/zinc/48/43/67/608484367.db2.gz RIACSQYXJTXXCT-VLIAUNLRSA-N 1 0 376.464 2.785 20 0 GFADRO CCCCCC[N@H+](C)CC(=O)N1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000825272121 608485096 /nfs/dbraw/zinc/48/50/96/608485096.db2.gz VIXABTHUJCKSMW-UHFFFAOYSA-N 1 0 382.512 2.995 20 0 GFADRO C[C@H]([NH2+]CC(=O)Nc1nc(-c2ccco2)cs1)c1cccc(-c2nn[nH]n2)c1 ZINC000824563426 608488376 /nfs/dbraw/zinc/48/83/76/608488376.db2.gz OEJFMOBFUHTDIW-NSHDSACASA-N 1 0 395.448 2.873 20 0 GFADRO C[C@@H]([NH2+]C[C@H](O)COCc1ccccc1Cl)c1cccc(-c2nn[nH]n2)c1 ZINC000824568849 608490358 /nfs/dbraw/zinc/49/03/58/608490358.db2.gz DQNAFTOEYDQZLI-DYVFJYSZSA-N 1 0 387.871 2.748 20 0 GFADRO c1ncn(Cc2ccc(C[NH2+][C@@H]3CCCc4cc(-c5nn[nH]n5)ccc43)cc2)n1 ZINC000826526546 608500161 /nfs/dbraw/zinc/50/01/61/608500161.db2.gz CSABUEHRDNITTK-HXUWFJFHSA-N 1 0 386.463 2.674 20 0 GFADRO Oc1ccc(C2CC[NH+](Cc3cnc4ccc(-c5nn[nH]n5)cn34)CC2)cc1 ZINC000826510672 608511472 /nfs/dbraw/zinc/51/14/72/608511472.db2.gz DWCIPTIAJAAFLN-UHFFFAOYSA-N 1 0 375.436 2.600 20 0 GFADRO O=C1[C@@H]([NH2+][C@H]2CCCc3cc(-c4nn[nH]n4)ccc32)CCN1Cc1ccccc1 ZINC000826476854 608520597 /nfs/dbraw/zinc/52/05/97/608520597.db2.gz QNYDZBFQVXMXPH-PMACEKPBSA-N 1 0 388.475 2.635 20 0 GFADRO COc1cc(OC)cc(OCC[NH2+][C@@H]2CCCc3cc(-c4nn[nH]n4)ccc32)c1 ZINC000826180884 608522972 /nfs/dbraw/zinc/52/29/72/608522972.db2.gz BGDNNXJRWVKSBS-HXUWFJFHSA-N 1 0 395.463 2.930 20 0 GFADRO COc1ccc(NC(=O)C[NH2+]C2(c3cccc(-c4nn[nH]n4)c3)CC2)cc1Cl ZINC000826209952 608529459 /nfs/dbraw/zinc/52/94/59/608529459.db2.gz XRKDABXPBXHRPM-UHFFFAOYSA-N 1 0 398.854 2.746 20 0 GFADRO CN1C(=O)C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)[C@H]1c1ccc(Cl)cc1 ZINC000826011133 608568967 /nfs/dbraw/zinc/56/89/67/608568967.db2.gz YOGLUHYVBLFCII-CZUORRHYSA-N 1 0 388.884 2.643 20 0 GFADRO C[C@H]([NH2+]CCCOc1ccc(-c2nn[nH]n2)cc1)c1ccc([S@@](C)=O)cc1 ZINC000824592380 608579323 /nfs/dbraw/zinc/57/93/23/608579323.db2.gz MRARBXBWDJMJJY-PGGUUEOZSA-N 1 0 385.493 2.724 20 0 GFADRO Fc1cc(-c2nn[nH]n2)ccc1N1CC[NH+](C[C@H]2CCOc3ccccc32)CC1 ZINC000826372412 608641099 /nfs/dbraw/zinc/64/10/99/608641099.db2.gz UXPDRYYDJPGLBQ-MRXNPFEDSA-N 1 0 394.454 2.694 20 0 GFADRO COc1ccccc1[C@@H]1CCC[N@@H+]1Cc1cnc2ccc(-c3nn[nH]n3)cn12 ZINC000826219220 608675471 /nfs/dbraw/zinc/67/54/71/608675471.db2.gz WCNGRLPUJPYNHL-KRWDZBQOSA-N 1 0 375.436 2.860 20 0 GFADRO CN(C[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C1)C(=O)OC(C)(C)C ZINC000825909451 608681151 /nfs/dbraw/zinc/68/11/51/608681151.db2.gz YOVSAURDKKMCMF-LBPRGKRZSA-N 1 0 378.502 2.617 20 0 GFADRO OCCC[N@H+](Cc1cccc(OCc2cccc(-c3nn[nH]n3)c2)c1)C1CC1 ZINC000826509631 608699130 /nfs/dbraw/zinc/69/91/30/608699130.db2.gz BPWISFWEZWICGY-UHFFFAOYSA-N 1 0 379.464 2.793 20 0 GFADRO C[C@H]1C[N@H+](Cc2cc(-c3nn[nH]n3)cs2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000824983477 608701069 /nfs/dbraw/zinc/70/10/69/608701069.db2.gz AELJXSMRJCCGSM-SMDDNHRTSA-N 1 0 378.502 2.663 20 0 GFADRO CC1(C)CC[C@@H](C[NH2+][C@@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)c2ccccc21 ZINC000824795932 608750230 /nfs/dbraw/zinc/75/02/30/608750230.db2.gz JGCDYHVCQJIRJR-QFBILLFUSA-N 1 0 390.491 2.838 20 0 GFADRO CC(C)(C)OC(=O)C1CCC([NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)CC1 ZINC000824093413 608758833 /nfs/dbraw/zinc/75/88/33/608758833.db2.gz HIGXYFRKAYMGJI-UHFFFAOYSA-N 1 0 397.483 2.505 20 0 GFADRO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc(-c2nn[nH]n2)c(C(F)(F)F)c1 ZINC000825000137 608812601 /nfs/dbraw/zinc/81/26/01/608812601.db2.gz MXBHFXWKMWTIJO-CMPLNLGQSA-N 1 0 395.389 2.586 20 0 GFADRO c1ncn(-c2ccccc2C[N@H+]2CC=C(c3ccc(-c4nn[nH]n4)cc3)CC2)n1 ZINC000823868237 608856684 /nfs/dbraw/zinc/85/66/84/608856684.db2.gz RPCKBSBGNZDYNI-UHFFFAOYSA-N 1 0 384.447 2.737 20 0 GFADRO CCN(Cc1ccccc1)C(=O)C[NH2+][C@@H](C)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000825439856 609138581 /nfs/dbraw/zinc/13/85/81/609138581.db2.gz QUYOSEATWSCPMS-AWEZNQCLSA-N 1 0 382.443 2.705 20 0 GFADRO C[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)CC(=O)N2C)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824530934 609139048 /nfs/dbraw/zinc/13/90/48/609139048.db2.gz NHNAXFHEYCJOTF-NWDGAFQWSA-N 1 0 380.427 2.937 20 0 GFADRO C[C@H]1CC[C@@H](C(F)(F)F)C[N@@H+]1CCC(=O)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000824910887 609149532 /nfs/dbraw/zinc/14/95/32/609149532.db2.gz ZBBUEPAZHPIYLT-WCQYABFASA-N 1 0 382.390 2.858 20 0 GFADRO C[C@@H](O)[C@H]1CC[N@H+](Cc2cccc(OCc3cccc(-c4nn[nH]n4)c3)c2)C1 ZINC000824689059 609175562 /nfs/dbraw/zinc/17/55/62/609175562.db2.gz JWXUPLFHDZFEFD-BEFAXECRSA-N 1 0 379.464 2.648 20 0 GFADRO CC(C)C[C@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)[NH2+][C@H](C)c1ccccc1 ZINC000824235846 609211046 /nfs/dbraw/zinc/21/10/46/609211046.db2.gz KYSPJBDCHGMDPI-RHSMWYFYSA-N 1 0 381.484 2.690 20 0 GFADRO COc1ccc(NC(=O)C[C@H](C)[NH2+]C2(c3cccc(-c4nn[nH]n4)c3)CC2)cc1 ZINC000826209555 609252065 /nfs/dbraw/zinc/25/20/65/609252065.db2.gz HREKFZLCLRRUPQ-AWEZNQCLSA-N 1 0 392.463 2.871 20 0 GFADRO CCS(=O)(=O)c1ccc(C[NH2+][C@H]2CCCc3cc(-c4nn[nH]n4)ccc32)cc1 ZINC000825669122 609256393 /nfs/dbraw/zinc/25/63/93/609256393.db2.gz QFARJZZDAMDOIV-IBGZPJMESA-N 1 0 397.504 2.828 20 0 GFADRO O=C(N[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc(Cl)c(-c2nn[nH]n2)c1 ZINC000826429910 609289246 /nfs/dbraw/zinc/28/92/46/609289246.db2.gz PSVUQHPIVKIXFA-INIZCTEOSA-N 1 0 396.882 2.915 20 0 GFADRO COc1cccc([C@H]2[C@H](Nc3cccc(-c4nn[nH]n4)n3)CC[N@@H+]2C2CC2)c1 ZINC000826215355 609322582 /nfs/dbraw/zinc/32/25/82/609322582.db2.gz MXYYZBRHSFTVMT-APWZRJJASA-N 1 0 377.452 2.660 20 0 GFADRO CN(C)c1ccccc1C[NH2+]Cc1cn(C)nc1-c1ccc(-c2nn[nH]n2)cc1 ZINC000825883713 609339471 /nfs/dbraw/zinc/33/94/71/609339471.db2.gz LKUOGJRLYFDGRS-UHFFFAOYSA-N 1 0 388.479 2.623 20 0 GFADRO CC(C)CC[C@](C)(O)C[NH2+]Cc1cn(C)nc1-c1ccc(-c2nn[nH]n2)cc1 ZINC000824243514 609339732 /nfs/dbraw/zinc/33/97/32/609339732.db2.gz HYWQEZOAMYTJQD-FQEVSTJZSA-N 1 0 383.500 2.544 20 0 GFADRO C[C@@H]([NH2+]CC[C@H](C)NC(=O)OC(C)(C)C)c1ccc(-c2nn[nH]n2)cc1F ZINC000824402652 609340391 /nfs/dbraw/zinc/34/03/91/609340391.db2.gz XOVOEAUFRRQHRA-NWDGAFQWSA-N 1 0 378.452 2.960 20 0 GFADRO CCc1noc(CC)c1C[NH2+]Cc1cn(C)nc1-c1ccc(-c2nn[nH]n2)cc1 ZINC000825776744 609341437 /nfs/dbraw/zinc/34/14/37/609341437.db2.gz KDPZKYBTKSKLAY-UHFFFAOYSA-N 1 0 392.467 2.670 20 0 GFADRO Cn1cc(C[NH2+][C@H]2CCO[C@@H](C(C)(C)C)C2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826361344 609343557 /nfs/dbraw/zinc/34/35/57/609343557.db2.gz UDGARZQAECBXBE-ZWKOTPCHSA-N 1 0 395.511 2.951 20 0 GFADRO CC(C)C[C@H]1C[C@H]([NH2+]Cc2cn(C)nc2-c2ccc(-c3nn[nH]n3)cc2)CCO1 ZINC000824243483 609343952 /nfs/dbraw/zinc/34/39/52/609343952.db2.gz HHTUAEDQFCSQEV-MOPGFXCFSA-N 1 0 395.511 2.951 20 0 GFADRO COc1cc(OC)cc(OCC[NH2+][C@@H](C)c2ccc(-c3nn[nH]n3)cc2F)c1 ZINC000826181150 609344299 /nfs/dbraw/zinc/34/42/99/609344299.db2.gz MRAPYCHNXZCVNQ-LBPRGKRZSA-N 1 0 387.415 2.753 20 0 GFADRO C[C@@H]([NH2+]C[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824578767 609345178 /nfs/dbraw/zinc/34/51/78/609345178.db2.gz VULFTYNITIJKAZ-ZBFHGGJFSA-N 1 0 394.454 2.705 20 0 GFADRO CCOC[C@H]1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2Br)C1 ZINC000825589888 609361678 /nfs/dbraw/zinc/36/16/78/609361678.db2.gz LSOSZRKVRKOSIS-LBPRGKRZSA-N 1 0 380.290 2.878 20 0 GFADRO C[C@H]1C[C@@H](N(C)Cc2ccc(-c3nn[nH]n3)cc2Br)CC[N@@H+]1C ZINC000824883697 609363646 /nfs/dbraw/zinc/36/36/46/609363646.db2.gz IUNPDJPAVAHCGP-FZMZJTMJSA-N 1 0 379.306 2.544 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)Cc2ccc(-c3nn[nH]n3)cc2Br)C[C@H]1C ZINC000825454028 609364801 /nfs/dbraw/zinc/36/48/01/609364801.db2.gz YDELTTSFFOCHCU-DOMZBBRYSA-N 1 0 393.333 2.934 20 0 GFADRO Brc1cc(-c2nn[nH]n2)ccc1C[N@@H+]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000823821486 609365569 /nfs/dbraw/zinc/36/55/69/609365569.db2.gz URZSBJLZOZVZRR-ZFWWWQNUSA-N 1 0 392.301 2.878 20 0 GFADRO O=C1[C@@H]([NH2+][C@@H]2CCc3cc(F)ccc32)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476858 609415842 /nfs/dbraw/zinc/41/58/42/609415842.db2.gz QPDKWPLITBLMJS-MOPGFXCFSA-N 1 0 392.438 2.778 20 0 GFADRO C[C@@H](NC(=O)c1cccc(-c2nn[nH]n2)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000824522718 609456631 /nfs/dbraw/zinc/45/66/31/609456631.db2.gz UWDVLEGZKRRZNZ-DNVCBOLYSA-N 1 0 376.464 2.507 20 0 GFADRO COC[C@](C)([NH3+])CNc1ccc2nnc(-c3cc(Cl)cc(Cl)c3)n2n1 ZINC000510664575 650516702 /nfs/dbraw/zinc/51/67/02/650516702.db2.gz HXVBOUCZYUUSLI-MRXNPFEDSA-N 1 0 381.267 2.874 20 0 GFADRO Cc1cc(NCc2cccnc2N2CC[NH+](C)CC2)ncc1Br ZINC000534602694 650778409 /nfs/dbraw/zinc/77/84/09/650778409.db2.gz BRCRXCTTYWAANS-UHFFFAOYSA-N 1 0 376.302 2.911 20 0 GFADRO Cc1cc(Br)cn2cc(CNc3cc(-n4cccn4)nc(N)[nH+]3)nc12 ZINC000544700759 650950301 /nfs/dbraw/zinc/95/03/01/650950301.db2.gz ATQLSXBJILTCNA-UHFFFAOYSA-N 1 0 399.256 2.575 20 0 GFADRO Brc1csc([C@H]([NH2+]C[C@H]2COC3(CCOCC3)O2)C2CC2)n1 ZINC000817580563 660201542 /nfs/dbraw/zinc/20/15/42/660201542.db2.gz LHQCDQZTHZBNEP-WCQYABFASA-N 1 0 389.315 2.868 20 0 GFADRO CS(=O)(=O)c1ccc(C(=O)OCC2CC[NH+](Cc3ccco3)CC2)s1 ZINC000817719913 660206534 /nfs/dbraw/zinc/20/65/34/660206534.db2.gz ADHOJAQSHKFZFS-UHFFFAOYSA-N 1 0 383.491 2.814 20 0 GFADRO O=C(Nc1ccccc1OCCN1CC[NH2+]CC1)c1cc(Cl)c(Cl)[nH]1 ZINC000818010317 660213403 /nfs/dbraw/zinc/21/34/03/660213403.db2.gz JSGHFNPZSRAQFQ-UHFFFAOYSA-N 1 0 383.279 2.858 20 0 GFADRO Cc1ccc(-n2nc(Br)cc2C(=O)N2C[C@H](C[NH3+])C[C@H]2C)cc1 ZINC000818563487 660228752 /nfs/dbraw/zinc/22/87/52/660228752.db2.gz NILKYXRNOSMBRK-OLZOCXBDSA-N 1 0 377.286 2.753 20 0 GFADRO O=C(c1cc(=O)[nH]c2ccc(Br)cc21)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000818592060 660229453 /nfs/dbraw/zinc/22/94/53/660229453.db2.gz NOPKZHTWSGGJMP-SFHVURJKSA-N 1 0 390.281 2.919 20 0 GFADRO O=S(=O)(c1ccc(Cl)nc1)N(CCC1CC[NH2+]CC1)Cc1ccco1 ZINC000818618940 660230307 /nfs/dbraw/zinc/23/03/07/660230307.db2.gz VEZZXBCVUJWMOT-UHFFFAOYSA-N 1 0 383.901 2.909 20 0 GFADRO CC(C)(C)OC(=O)NC[C@](C)(O)C[NH2+]CCc1ccc(Br)s1 ZINC000818945540 660236355 /nfs/dbraw/zinc/23/63/55/660236355.db2.gz JIMQCFNZCAIKQE-OAHLLOKOSA-N 1 0 393.347 2.918 20 0 GFADRO CC(C)(C)OC(=O)NCC[C@@H](O)C[NH2+]CCc1ccc(Br)s1 ZINC000818945545 660236371 /nfs/dbraw/zinc/23/63/71/660236371.db2.gz JUDTVCNOIDNDNM-LLVKDONJSA-N 1 0 393.347 2.918 20 0 GFADRO CN(C)S(=O)(=O)c1ccccc1C[NH2+]C[C@@H](O)c1ccc(Cl)c(F)c1 ZINC000818945769 660236444 /nfs/dbraw/zinc/23/64/44/660236444.db2.gz NXLIQVVSBVKUNR-MRXNPFEDSA-N 1 0 386.876 2.553 20 0 GFADRO CS(=O)(=O)c1ccc(C[NH2+]C[C@@H](O)c2ccc(Br)cc2)cc1 ZINC000818958528 660237905 /nfs/dbraw/zinc/23/79/05/660237905.db2.gz PKOIJKICZNTRGG-MRXNPFEDSA-N 1 0 384.295 2.676 20 0 GFADRO CC[C@H]1C[N@H+](C)CCN1C(=O)/C=C\c1cc(Br)c(O)c(OC)c1 ZINC000818972160 660239261 /nfs/dbraw/zinc/23/92/61/660239261.db2.gz STZLOAPFACCIGM-SZZPACECSA-N 1 0 383.286 2.729 20 0 GFADRO O=S(=O)(CC[NH2+]C[C@@H](O)c1cc(F)ccc1F)c1ccc(Cl)cc1 ZINC000818973644 660239693 /nfs/dbraw/zinc/23/96/93/660239693.db2.gz UFQALUZLSSBAMD-MRXNPFEDSA-N 1 0 375.824 2.715 20 0 GFADRO CC(C)(C)OC(=O)NCC[C@H](O)C[NH2+]Cc1sccc1Br ZINC000818985055 660241557 /nfs/dbraw/zinc/24/15/57/660241557.db2.gz MJYAKJVPHGHNDZ-JTQLQIEISA-N 1 0 379.320 2.876 20 0 GFADRO O[C@H](C[NH2+]C1CCN(CC(F)F)CC1)c1ccc(F)c(Br)c1 ZINC000818987521 660241842 /nfs/dbraw/zinc/24/18/42/660241842.db2.gz ZCPRSULREUCVRL-CQSZACIVSA-N 1 0 381.236 2.941 20 0 GFADRO CN(C)C(=O)[C@@H]1CCCN1CCC[NH2+]C[C@@H](O)c1ccc(Cl)cc1Cl ZINC000818997773 660242696 /nfs/dbraw/zinc/24/26/96/660242696.db2.gz KUQKXRDINROASI-DLBZAZTESA-N 1 0 388.339 2.559 20 0 GFADRO O=C(NCCC[NH2+]C[C@@H](O)c1ccccc1)c1ccc(Br)cc1 ZINC000819001135 660242897 /nfs/dbraw/zinc/24/28/97/660242897.db2.gz HOUFZDCINKEHIO-QGZVFWFLSA-N 1 0 377.282 2.892 20 0 GFADRO CS(=O)(=O)c1ccc(OCC[NH2+]C[C@@H](O)c2ccc(F)cc2Cl)cc1 ZINC000819023094 660243896 /nfs/dbraw/zinc/24/38/96/660243896.db2.gz ALFPIKHXEAPMTQ-QGZVFWFLSA-N 1 0 387.860 2.585 20 0 GFADRO C[C@@H]1C[C@H]([NH2+]C[C@@H](O)c2ccc(Cl)cc2Cl)C(=O)N1c1cnn(C)c1 ZINC000819123545 660247192 /nfs/dbraw/zinc/24/71/92/660247192.db2.gz XLNPLZGQKPFXPH-HPEXNQPKSA-N 1 0 383.279 2.544 20 0 GFADRO CC(C)(C)OC(=O)NC[C@@](C)(O)C[NH2+]Cc1ccc(O)c(Br)c1 ZINC000819175870 660248755 /nfs/dbraw/zinc/24/87/55/660248755.db2.gz CIZXFFOKSBQGFQ-INIZCTEOSA-N 1 0 389.290 2.520 20 0 GFADRO O[C@H](C[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1ccccc1Br ZINC000819175490 660248838 /nfs/dbraw/zinc/24/88/38/660248838.db2.gz YNKIBJGLAHCTSQ-IPMKNSEASA-N 1 0 397.357 2.840 20 0 GFADRO O=C1[C@H]([NH2+]C[C@@H](O)c2ccccc2)CCN1c1cccc(Br)c1 ZINC000819266144 660252988 /nfs/dbraw/zinc/25/29/88/660252988.db2.gz FAPGHCHWFSSYSQ-IAGOWNOFSA-N 1 0 375.266 2.878 20 0 GFADRO Cc1ccccc1[C@@H](O)C[NH2+]CCCNS(=O)(=O)c1ccccc1Cl ZINC000819283524 660253566 /nfs/dbraw/zinc/25/35/66/660253566.db2.gz KSKJZMJDWRXHEN-KRWDZBQOSA-N 1 0 382.913 2.640 20 0 GFADRO C[C@H](CCNS(=O)(=O)c1ccccc1)[NH2+]C[C@H](O)c1cccc(Cl)c1 ZINC000819298478 660254005 /nfs/dbraw/zinc/25/40/05/660254005.db2.gz MDVIHEUZBAYHQZ-KDOFPFPSSA-N 1 0 382.913 2.720 20 0 GFADRO O=S1(=O)C[C@H](C[NH2+]C[C@@H](O)c2ccc(Br)cc2)c2ccccc21 ZINC000819337309 660255561 /nfs/dbraw/zinc/25/55/61/660255561.db2.gz MVKAMAGHEWXLBE-XJKSGUPXSA-N 1 0 396.306 2.643 20 0 GFADRO COC[C@](C)(O)CC[NH2+]C[C@@](C)(O)c1ccc(Br)cc1Cl ZINC000819339742 660255763 /nfs/dbraw/zinc/25/57/63/660255763.db2.gz OWJCLWJDJUUMHH-HUUCEWRRSA-N 1 0 380.710 2.687 20 0 GFADRO Cn1nccc1[C@@H]1C[C@H]([NH2+]C[C@@H](O)c2ccc(Br)cc2)CCO1 ZINC000819354927 660256542 /nfs/dbraw/zinc/25/65/42/660256542.db2.gz UWIAFZVHUPHRKX-OIISXLGYSA-N 1 0 380.286 2.726 20 0 GFADRO Cc1cc(C(=O)Nc2cccc(C[N@@H+]3CC[C@H](O)C3)c2)cnc1Br ZINC000819972887 660276915 /nfs/dbraw/zinc/27/69/15/660276915.db2.gz BHOHKBBSGWMKHA-INIZCTEOSA-N 1 0 390.281 2.971 20 0 GFADRO O=C(N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)c1c(F)cncc1Br ZINC000820106693 660281295 /nfs/dbraw/zinc/28/12/95/660281295.db2.gz LGCWCOQECBGXLG-LAQFHYBYSA-N 1 0 390.256 2.843 20 0 GFADRO C[N@@H+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)C[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000820459221 660294345 /nfs/dbraw/zinc/29/43/45/660294345.db2.gz MOWASXFFDGNXGX-IKGGRYGDSA-N 1 0 387.307 2.739 20 0 GFADRO CC(C)(C[NH+]1CCOCC1)C(=O)NC[C@@H](O)c1c(Cl)cccc1Cl ZINC000820944150 660310779 /nfs/dbraw/zinc/31/07/79/660310779.db2.gz OPOJLPPRGJSGMQ-CQSZACIVSA-N 1 0 375.296 2.501 20 0 GFADRO CN(C(=O)c1cc(N)nc(Br)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000820954289 660311218 /nfs/dbraw/zinc/31/12/18/660311218.db2.gz VBVKLCVSZUFSHI-HNNXBMFYSA-N 1 0 389.297 2.773 20 0 GFADRO CCc1ccc(Br)cc1C(=O)N1CCC(CO)([NH2+]C(C)C)CC1 ZINC000821269340 660319642 /nfs/dbraw/zinc/31/96/42/660319642.db2.gz DXZYVDHFMRKSTM-UHFFFAOYSA-N 1 0 383.330 2.977 20 0 GFADRO Cc1cc(I)ccc1NC(=O)NC[C@@H](C)C[NH+](C)C ZINC000821508001 660328082 /nfs/dbraw/zinc/32/80/82/660328082.db2.gz KUSUFCDKJHSILK-SNVBAGLBSA-N 1 0 375.254 2.919 20 0 GFADRO C[N@@H+]1CCC[C@@H](CCNC(=O)C[C@H]2C(=O)Nc3c2cccc3Br)C1 ZINC000822458437 660345955 /nfs/dbraw/zinc/34/59/55/660345955.db2.gz ZMAQHJXSOPAHLY-GXTWGEPZSA-N 1 0 394.313 2.723 20 0 GFADRO CC[N@@H+]1CCCN(C(=O)c2cc(Br)c3nccnc3c2)[C@H](C)C1 ZINC000822569804 660348168 /nfs/dbraw/zinc/34/81/68/660348168.db2.gz YLRXNBLOTXLYLS-GFCCVEGCSA-N 1 0 377.286 2.949 20 0 GFADRO Brc1ccccc1Cc1noc(-c2cn([C@@H]3CCC[NH2+]C3)nn2)n1 ZINC000822696096 660351976 /nfs/dbraw/zinc/35/19/76/660351976.db2.gz JWEPNSQPAZIBKO-GFCCVEGCSA-N 1 0 389.257 2.606 20 0 GFADRO C[NH+](C)CCNC(=O)c1cccc(CNC(=O)C[C@@]2(C)CC2(Cl)Cl)c1 ZINC000823033959 660360221 /nfs/dbraw/zinc/36/02/21/660360221.db2.gz XUZCTNCOIYWYFR-KRWDZBQOSA-N 1 0 386.323 2.568 20 0 GFADRO [NH3+]CC1(Cc2nc(CS(=O)(=O)c3cc(Cl)ccc3Cl)no2)CC1 ZINC000822900428 660357189 /nfs/dbraw/zinc/35/71/89/660357189.db2.gz GFLYLDXWXIOYSX-UHFFFAOYSA-N 1 0 376.265 2.632 20 0 GFADRO COc1cc(F)c(Br)cc1NC(=O)COC1CC[NH+](C)CC1 ZINC000822916547 660358102 /nfs/dbraw/zinc/35/81/02/660358102.db2.gz XMHBIPDOUGZMKW-UHFFFAOYSA-N 1 0 375.238 2.646 20 0 GFADRO CCOc1ccc(Br)cc1-c1noc(-c2cn(CCC[NH3+])nn2)n1 ZINC000822942309 660358564 /nfs/dbraw/zinc/35/85/64/660358564.db2.gz UJPOZKUEQLCXHN-UHFFFAOYSA-N 1 0 393.245 2.505 20 0 GFADRO C[C@@H](CNC(=O)[C@@H]1CCO[C@H]1c1cncc(Br)c1)[NH+]1CCCCC1 ZINC000822953536 660358863 /nfs/dbraw/zinc/35/88/63/660358863.db2.gz LBMLFXORKGXWTO-XKQJLSEDSA-N 1 0 396.329 2.912 20 0 GFADRO CN(CCC[N@H+](C)Cc1ccncc1)C(=O)c1csc(Br)n1 ZINC000822973357 660359208 /nfs/dbraw/zinc/35/92/08/660359208.db2.gz JXIHUAJQLDXNSO-UHFFFAOYSA-N 1 0 383.315 2.895 20 0 GFADRO FC(F)(F)COc1ccc(Cl)cc1-c1noc(C[C@H]2COCC[NH2+]2)n1 ZINC000822979959 660359303 /nfs/dbraw/zinc/35/93/03/660359303.db2.gz ASVUXLOSXMBBLX-JTQLQIEISA-N 1 0 377.750 2.862 20 0 GFADRO C[C@@H]1[NH2+]CC[C@@H]1c1nc(Cc2cccc(F)c2I)no1 ZINC000822981060 660359358 /nfs/dbraw/zinc/35/93/58/660359358.db2.gz USLNWFPVCVNLLR-WPRPVWTQSA-N 1 0 387.196 2.870 20 0 GFADRO C[C@@H]1[NH2+]CC[C@H]1c1nc(COc2ccc(I)cc2)no1 ZINC000823167356 660363761 /nfs/dbraw/zinc/36/37/61/660363761.db2.gz FUTXKTDVBFSQAQ-JOYOIKCWSA-N 1 0 385.205 2.719 20 0 GFADRO c1cc(C2SCCCS2)ccc1OCc1nc(N2CC[NH2+]CC2)no1 ZINC000823321021 660368244 /nfs/dbraw/zinc/36/82/44/660368244.db2.gz QLKLJFFNEWDZDV-UHFFFAOYSA-N 1 0 378.523 2.927 20 0 GFADRO O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC000823298892 660367917 /nfs/dbraw/zinc/36/79/17/660367917.db2.gz ZWZBSFBYVDFCDC-YOEHRIQHSA-N 1 0 387.307 2.786 20 0 GFADRO CC[N@H+](C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1)[C@@H](C)CS(C)(=O)=O ZINC000823452529 660372490 /nfs/dbraw/zinc/37/24/90/660372490.db2.gz BITZAVCZSFXGOD-HRCADAONSA-N 1 0 376.563 2.777 20 0 GFADRO CN(C[C@@H](O)c1ccccc1Br)C(=O)C12CCC[NH+](CCC1)C2 ZINC000823463983 660373089 /nfs/dbraw/zinc/37/30/89/660373089.db2.gz PLHNOXPRHXUIOP-MRXNPFEDSA-N 1 0 381.314 2.817 20 0 GFADRO COC(=O)/C(C)=C\C[N@@H+]1C[C@@H](c2ccc(Br)cc2)[C@H](C(=O)OC)C1 ZINC000823492410 660373700 /nfs/dbraw/zinc/37/37/00/660373700.db2.gz NBYGNZUFLDRCRT-VGQMVEDTSA-N 1 0 396.281 2.757 20 0 GFADRO C[C@@H]1C[C@H]([NH2+]CCOc2ccc(S(=O)(=O)C(F)(F)F)cc2)C[C@H](C)O1 ZINC000824031827 660384234 /nfs/dbraw/zinc/38/42/34/660384234.db2.gz BAPSCZXTYRJAQX-ITGUQSILSA-N 1 0 381.416 2.905 20 0 GFADRO CC(C)[C@@H](CNC(=O)OC(C)(C)C)C[N@@H+]1CCC[C@H](S(C)(=O)=O)CC1 ZINC000824339652 660390309 /nfs/dbraw/zinc/39/03/09/660390309.db2.gz YYLVPMPTHHIKFQ-HOTGVXAUSA-N 1 0 376.563 2.682 20 0 GFADRO Cn1c(Cl)cnc1-c1csc(NC(=O)NC2CC[NH+](C3CC3)CC2)n1 ZINC000824516413 660395424 /nfs/dbraw/zinc/39/54/24/660395424.db2.gz UNVAPNVYMJBIMG-UHFFFAOYSA-N 1 0 380.905 2.945 20 0 GFADRO C[C@H](C[C@H](C)NC(=O)OC(C)(C)C)[NH2+]C1CCC(CS(C)(=O)=O)CC1 ZINC000824533538 660396208 /nfs/dbraw/zinc/39/62/08/660396208.db2.gz HDLPLMRFBVSEEA-QVOMUQBLSA-N 1 0 376.563 2.871 20 0 GFADRO CCOC(=O)C(F)(F)[C@@H]1CC[C@@H]([NH2+]C2CCC(CS(C)(=O)=O)CC2)C1 ZINC000824533840 660396226 /nfs/dbraw/zinc/39/62/26/660396226.db2.gz QDPXALCMBGNATR-HXSCFSKGSA-N 1 0 381.485 2.547 20 0 GFADRO O=c1ccc(Br)cn1CC[NH2+][C@@H]1CC[C@H]2SCCS[C@@H]12 ZINC000824543173 660396409 /nfs/dbraw/zinc/39/64/09/660396409.db2.gz FTOADEGKEBLCMH-BZPMIXESSA-N 1 0 375.357 2.580 20 0 GFADRO OCCN1CCCC[C@@H]1C[NH2+]Cc1nc2ccc(Br)cc2s1 ZINC000824583708 660397698 /nfs/dbraw/zinc/39/76/98/660397698.db2.gz OZUWMOGKKBVWCU-CYBMUJFWSA-N 1 0 384.343 2.995 20 0 GFADRO COc1cc(OC)c(C[C@H](C)[NH2+]Cc2cc(Br)nn2C)c(OC)c1 ZINC000824732992 660400215 /nfs/dbraw/zinc/40/02/15/660400215.db2.gz CSBRHRHMZIMTHZ-NSHDSACASA-N 1 0 398.301 2.929 20 0 GFADRO CCOC(=O)C(F)(F)[C@H]1CC[C@@H]([NH2+]Cc2cccc(S(C)(=O)=O)c2)C1 ZINC000824790334 660401994 /nfs/dbraw/zinc/40/19/94/660401994.db2.gz RUZSBQLASFVKAD-UONOGXRCSA-N 1 0 375.437 2.547 20 0 GFADRO Cc1cc(Br)cc(CN2CC[NH+]([C@@H]3CCNC(=O)CC3)CC2)c1 ZINC000825148050 660412614 /nfs/dbraw/zinc/41/26/14/660412614.db2.gz PDKXCZWSAMVHGD-KRWDZBQOSA-N 1 0 380.330 2.544 20 0 GFADRO CS(=O)(=O)Nc1cccc(C[NH2+]C[C@@H](O)c2ccccc2Br)c1 ZINC000825337277 660421552 /nfs/dbraw/zinc/42/15/52/660421552.db2.gz FRWGCHONPVHBQH-MRXNPFEDSA-N 1 0 399.310 2.644 20 0 GFADRO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)c1c(Br)nc2n1CCC2 ZINC000825549109 660432780 /nfs/dbraw/zinc/43/27/80/660432780.db2.gz JOWOZKJLNNOJLT-ZDUSSCGKSA-N 1 0 383.334 2.976 20 0 GFADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)Nc1ccc(F)c(Br)c1F ZINC000825667107 660437225 /nfs/dbraw/zinc/43/72/25/660437225.db2.gz TXCWOTKVZFZDCE-VHSXEESVSA-N 1 0 390.228 2.712 20 0 GFADRO Cn1nc(C(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)cc1Br ZINC000825688545 660437878 /nfs/dbraw/zinc/43/78/78/660437878.db2.gz NLMQQFXSCPULGG-AWEZNQCLSA-N 1 0 383.334 2.911 20 0 GFADRO CCC[NH+](CCC)CCCNC(=O)c1csc(I)n1 ZINC000825824536 660443000 /nfs/dbraw/zinc/44/30/00/660443000.db2.gz MIHRDLRFZYRCIN-UHFFFAOYSA-N 1 0 395.310 2.990 20 0 GFADRO Cn1nc(C(=O)N(Cc2ccco2)C2CC[NH+](C)CC2)cc1Br ZINC000825887408 660444870 /nfs/dbraw/zinc/44/48/70/660444870.db2.gz NMURIMMLZMRZMR-UHFFFAOYSA-N 1 0 381.274 2.512 20 0 GFADRO C[C@]([NH3+])(C(=O)NC[C@@H]1COc2ccccc2C1)c1ccc(Br)cc1 ZINC000825993631 660447236 /nfs/dbraw/zinc/44/72/36/660447236.db2.gz ARBBLTWABXXFCZ-BFUOFWGJSA-N 1 0 389.293 2.991 20 0 GFADRO O=C([C@H](O)c1ccc(Cl)c(Cl)c1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000826080013 660449447 /nfs/dbraw/zinc/44/94/47/660449447.db2.gz FPJOYDHASYVIDY-QGZVFWFLSA-N 1 0 387.307 2.598 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(I)c(F)c3)CC[C@@H]21 ZINC000827322466 660489075 /nfs/dbraw/zinc/48/90/75/660489075.db2.gz ZUJBBEVUHHOZOX-RISCZKNCSA-N 1 0 388.224 2.597 20 0 GFADRO COc1ccc(CCC(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)cc1Br ZINC000827344170 660490383 /nfs/dbraw/zinc/49/03/83/660490383.db2.gz CQOLBDFMZDBAEB-GOEBONIOSA-N 1 0 381.314 2.943 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3cn(-c4ccc(Br)cc4)cn3)CC[C@H]21 ZINC000827297054 660487894 /nfs/dbraw/zinc/48/78/94/660487894.db2.gz GKLNPFDDOYENPX-CXAGYDPISA-N 1 0 389.297 2.801 20 0 GFADRO Cc1ccc(CC(=O)N2CCC([NH+]3CCN(C)CC3)CC2)cc1Br ZINC000827439571 660495597 /nfs/dbraw/zinc/49/55/97/660495597.db2.gz GATWMQXSQZHRKN-UHFFFAOYSA-N 1 0 394.357 2.538 20 0 GFADRO C[NH+](C)Cc1ccc(C(=O)N[C@H]2COc3cccc(Br)c3C2)cn1 ZINC000828027151 660527062 /nfs/dbraw/zinc/52/70/62/660527062.db2.gz NHZFEMMJWPIUKD-CQSZACIVSA-N 1 0 390.281 2.639 20 0 GFADRO OCCC[N@@H+]1CCC[C@H]1CNc1cc(Br)cnc1Br ZINC000828420013 660547501 /nfs/dbraw/zinc/54/75/01/660547501.db2.gz AAPBOFUSBMSKEI-NSHDSACASA-N 1 0 393.123 2.865 20 0 GFADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@]2(C)CC2(Br)Br)C1 ZINC000829208404 660585152 /nfs/dbraw/zinc/58/51/52/660585152.db2.gz PORJAXJCOHPXDA-JQWIXIFHSA-N 1 0 382.140 2.683 20 0 GFADRO Cc1cc(C(=O)N2CCN(c3cc[nH+]cc3)[C@H](C)C2)cnc1Br ZINC000829214585 660585553 /nfs/dbraw/zinc/58/55/53/660585553.db2.gz FAPYDACQZIYARD-CYBMUJFWSA-N 1 0 375.270 2.898 20 0 GFADRO Cc1ccc(Br)cc1CC(=O)N(C)CC[NH+]1CC2(C1)CCOCC2 ZINC000829227902 660585921 /nfs/dbraw/zinc/58/59/21/660585921.db2.gz GIZFHCVCAHMYDY-UHFFFAOYSA-N 1 0 395.341 2.871 20 0 GFADRO Cc1ccc(C(=O)N(C)CC[NH+]2CC3(C2)CCOCC3)c(Br)c1 ZINC000829257576 660586989 /nfs/dbraw/zinc/58/69/89/660586989.db2.gz MINAXOMUOBBGKD-UHFFFAOYSA-N 1 0 381.314 2.942 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)c2cccc(S(=O)(=O)C(F)(F)F)c2)C1 ZINC000829706069 660608396 /nfs/dbraw/zinc/60/83/96/660608396.db2.gz YMESFSLXHJUICA-CHWSQXEVSA-N 1 0 378.416 2.583 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)c2cccc(S(=O)(=O)C(F)(F)F)c2)C1 ZINC000829706071 660608461 /nfs/dbraw/zinc/60/84/61/660608461.db2.gz YMESFSLXHJUICA-QWHCGFSZSA-N 1 0 378.416 2.583 20 0 GFADRO Cc1ncc2c(n1)CCC[C@@H]2NC(=O)[C@@](C)([NH3+])c1ccc(Br)cc1 ZINC000829805845 660614867 /nfs/dbraw/zinc/61/48/67/660614867.db2.gz WGSXHJQQZLRRNL-WMZOPIPTSA-N 1 0 389.297 2.915 20 0 GFADRO O=C1OCCN1C[C@H]1CC[N@@H+](C[C@@H](O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000830096351 660634554 /nfs/dbraw/zinc/63/45/54/660634554.db2.gz YWXVVVBYGMOPFI-QWHCGFSZSA-N 1 0 389.279 2.507 20 0 GFADRO O=C1OCCN1C[C@@H]1CC[N@@H+](C[C@@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000830096006 660634586 /nfs/dbraw/zinc/63/45/86/660634586.db2.gz WQPWZBAVHNMZSB-TZMCWYRMSA-N 1 0 389.279 2.507 20 0 GFADRO O=C(CC[N@@H+]1CC[C@H](CN2CCOC2=O)C1)Nc1cccc(Br)c1 ZINC000830120315 660636433 /nfs/dbraw/zinc/63/64/33/660636433.db2.gz RUKQILCAVCIVAW-ZDUSSCGKSA-N 1 0 396.285 2.552 20 0 GFADRO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)c1cc(Br)n(C)n1)[NH+](C)C ZINC000830729437 660676066 /nfs/dbraw/zinc/67/60/66/660676066.db2.gz RIZIMGFDTCJLED-MLGOLLRUSA-N 1 0 379.302 2.912 20 0 GFADRO C[NH+](C)[C@H]1CCC[C@H](NS(=O)(=O)c2cnc(Cl)c(Br)c2)C1 ZINC000830791680 660680292 /nfs/dbraw/zinc/68/02/92/660680292.db2.gz XHRNGIKAWLDYGA-UWVGGRQHSA-N 1 0 396.738 2.649 20 0 GFADRO CS[C@H]1CN(C(=O)c2ccc(C(F)(F)Br)nc2)C[C@H]1[NH+](C)C ZINC000831300969 660707756 /nfs/dbraw/zinc/70/77/56/660707756.db2.gz YIZZVWSKUNWEFK-MNOVXSKESA-N 1 0 394.285 2.643 20 0 GFADRO O=C(N1C[C@@H]2CC[N@@H+](C[C@H](O)c3ccccc3Cl)C[C@H]2C1)C(F)(F)F ZINC000831576438 660713371 /nfs/dbraw/zinc/71/33/71/660713371.db2.gz GTQCRJAGJYJVKI-HUBLWGQQSA-N 1 0 376.806 2.716 20 0 GFADRO Cc1cc([C@H]([NH3+])CC(=O)Nc2nc(-c3cnn(C)c3)cs2)cc(Cl)n1 ZINC000831961291 660740178 /nfs/dbraw/zinc/74/01/78/660740178.db2.gz VXKBGOIVOKDXRF-GFCCVEGCSA-N 1 0 376.873 2.929 20 0 GFADRO C[C@]12CCN(c3cc[nH+]cc3CO)C[C@H]1C2(Br)Br ZINC000894490357 663465017 /nfs/dbraw/zinc/46/50/17/663465017.db2.gz PYUCCIGTFIWEPQ-NEPJUHHUSA-N 1 0 376.092 2.906 20 0 GFADRO C[C@H](C[C@H]1CCOC1)[NH2+][C@@H](CO)c1ccccc1I ZINC000898513674 663654628 /nfs/dbraw/zinc/65/46/28/663654628.db2.gz XTWVUUXIWIQHBF-JMSVASOKSA-N 1 0 375.250 2.729 20 0 GFADRO Cc1ccc(-n2nc(Br)cc2C(=O)N2C[C@H]3CC[N@@H+](C)[C@H]3C2)cc1 ZINC000834310429 660813238 /nfs/dbraw/zinc/81/32/38/660813238.db2.gz MFVQSZMTOYPRBH-CJNGLKHVSA-N 1 0 389.297 2.719 20 0 GFADRO C[C@H](CN1CCCC1=O)[NH2+]C[C@](C)(O)c1ccc(Br)cc1Cl ZINC000834362628 660816327 /nfs/dbraw/zinc/81/63/27/660816327.db2.gz GIFMOQCWDWLAEU-BZNIZROVSA-N 1 0 389.721 2.911 20 0 GFADRO C[NH2+]CCN(C)C(=O)c1cnn(-c2ncccc2Cl)c1C(F)(F)Cl ZINC000834419726 660819072 /nfs/dbraw/zinc/81/90/72/660819072.db2.gz UTHIQCPAXQBNJX-UHFFFAOYSA-N 1 0 378.210 2.500 20 0 GFADRO C[C@@]1(C(=O)NCC2CC[NH+](C3CC3)CC2)CC1(Br)Br ZINC000834579890 660825379 /nfs/dbraw/zinc/82/53/79/660825379.db2.gz ACNIPBMVYGOARM-ZDUSSCGKSA-N 1 0 394.151 2.873 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2ccc(C(F)(F)F)nc2Cl)CC1 ZINC000834848834 660835005 /nfs/dbraw/zinc/83/50/05/660835005.db2.gz IWIVSNPUHMJFRV-YPMHNXCESA-N 1 0 377.794 2.722 20 0 GFADRO CC1CC[NH+](CCNC(=O)NC[C@@H](O)c2ccccc2Br)CC1 ZINC000836234809 660896525 /nfs/dbraw/zinc/89/65/25/660896525.db2.gz LZSGNWKSWHKQNY-MRXNPFEDSA-N 1 0 384.318 2.514 20 0 GFADRO C[C@@]1(CCNC(=O)NCC2([NH+]3CCCC3)CCOCC2)CC1(Cl)Cl ZINC000836317551 660899481 /nfs/dbraw/zinc/89/94/81/660899481.db2.gz ZUTXTPOIVCRIAZ-OAHLLOKOSA-N 1 0 378.344 2.905 20 0 GFADRO C[C@H](CNC(=O)NC[C@@H](O)c1ccccc1Br)C[NH+]1CCCCC1 ZINC000836345318 660900878 /nfs/dbraw/zinc/90/08/78/660900878.db2.gz LBTPPJAYDAQKJU-RHSMWYFYSA-N 1 0 398.345 2.904 20 0 GFADRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)NC[C@H](O)c2ccccc2Br)C1 ZINC000836359711 660901881 /nfs/dbraw/zinc/90/18/81/660901881.db2.gz YSAPGNKUYVLGAC-YOEHRIQHSA-N 1 0 398.345 2.760 20 0 GFADRO C[C@]1(CCNC(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)CC1(Cl)Cl ZINC000836619486 660921666 /nfs/dbraw/zinc/92/16/66/660921666.db2.gz KVCUTYWGTZITJK-ZBFHGGJFSA-N 1 0 378.344 2.903 20 0 GFADRO C[C@@]1(CCNC(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)CC1(Cl)Cl ZINC000836624643 660922498 /nfs/dbraw/zinc/92/24/98/660922498.db2.gz SCUONIUGOHBOEQ-GDBMZVCRSA-N 1 0 378.344 2.714 20 0 GFADRO CC[S@](=O)CCNC(=O)Nc1cc(Cl)ccc1OC1CC[NH+](C)CC1 ZINC000836763884 660940464 /nfs/dbraw/zinc/94/04/64/660940464.db2.gz CBDAMJVBIGWVAQ-VWLOTQADSA-N 1 0 387.933 2.703 20 0 GFADRO Cc1cc(Br)nc(NC(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c1 ZINC000836763919 660940575 /nfs/dbraw/zinc/94/05/75/660940575.db2.gz NDQBJMJJOLAMOG-ZIAGYGMSSA-N 1 0 397.317 2.652 20 0 GFADRO C[C@]1(CCNC(=O)CC[NH+]2CCN(c3ccccn3)CC2)CC1(Cl)Cl ZINC000836919508 660957313 /nfs/dbraw/zinc/95/73/13/660957313.db2.gz PDWAQRRPXYFUGZ-KRWDZBQOSA-N 1 0 385.339 2.684 20 0 GFADRO CC[C@@H]([NH2+]CC(=O)Nc1cccc(S(N)(=O)=O)c1)c1ccc(Cl)cc1 ZINC000024253181 654543073 /nfs/dbraw/zinc/54/30/73/654543073.db2.gz CAUCSRISHCZPKW-MRXNPFEDSA-N 1 0 381.885 2.667 20 0 GFADRO CC[C@@H]1CN(CC)CCN1C(=O)c1cn(-c2ccccc2Br)nn1 ZINC000836947626 660958046 /nfs/dbraw/zinc/95/80/46/660958046.db2.gz KBXOKZHTHZCSTP-CYBMUJFWSA-N 1 0 392.301 2.586 20 0 GFADRO C[NH+](C)Cc1ccc(C(=O)NC[C@H](O)c2ccccc2Br)cc1 ZINC000837203748 660978630 /nfs/dbraw/zinc/97/86/30/660978630.db2.gz PIVNYSGQFPULFJ-KRWDZBQOSA-N 1 0 377.282 2.974 20 0 GFADRO CN(C(=O)c1cc(Br)nn1C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000837184601 660975937 /nfs/dbraw/zinc/97/59/37/660975937.db2.gz ZNWSORQFJRTYMF-UHFFFAOYSA-N 1 0 397.239 2.671 20 0 GFADRO C[C@@H](CNC(=O)C(=O)Nc1ccc(Br)cc1)[N@@H+]1CCCC[C@H]1C ZINC000041644000 654628459 /nfs/dbraw/zinc/62/84/59/654628459.db2.gz KRMOUZNLEDSDQI-OLZOCXBDSA-N 1 0 382.302 2.767 20 0 GFADRO C[NH+](C)C1(CNC(=O)Cc2cc3c(cc2Br)OCCO3)CCCC1 ZINC000042766294 654644160 /nfs/dbraw/zinc/64/41/60/654644160.db2.gz GHBFFLRKVDJNDZ-UHFFFAOYSA-N 1 0 397.313 2.753 20 0 GFADRO C[NH+](C)C1(CNC(=O)NNC(=O)c2ccccc2Br)CCCCC1 ZINC000043110386 654647785 /nfs/dbraw/zinc/64/77/85/654647785.db2.gz LHMDZORMHHSHQT-UHFFFAOYSA-N 1 0 397.317 2.658 20 0 GFADRO CC[NH+](CC)CCNC(=O)NCCNc1ncc(C(F)(F)F)cc1Cl ZINC000045544655 654669800 /nfs/dbraw/zinc/66/98/00/654669800.db2.gz HJUFHYJTCPVUJX-UHFFFAOYSA-N 1 0 381.830 2.807 20 0 GFADRO O=S1(=O)CC[C@@H](C[NH2+]Cc2cc(Cl)ccc2OCc2cccnc2)C1 ZINC000046836306 654686838 /nfs/dbraw/zinc/68/68/38/654686838.db2.gz NDJGFZNPTSBNNE-HNNXBMFYSA-N 1 0 380.897 2.838 20 0 GFADRO C[N@H+](CCNC(=O)c1c(Br)nc2n1CCCC2)C1CCCCC1 ZINC000837370143 660989490 /nfs/dbraw/zinc/98/94/90/660989490.db2.gz NMLULPGWWLPZCV-UHFFFAOYSA-N 1 0 383.334 2.976 20 0 GFADRO CCOC(=O)N[C@H]1CCC[N@H+](C[C@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000047796494 654700985 /nfs/dbraw/zinc/70/09/85/654700985.db2.gz KWIFFCMIJAMYOH-KBPBESRZSA-N 1 0 391.295 2.944 20 0 GFADRO Cn1c(Cl)c(Cl)cc1C(=O)Nc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000048188219 654703430 /nfs/dbraw/zinc/70/34/30/654703430.db2.gz UHBPHUUZSHFSCY-UHFFFAOYSA-N 1 0 383.279 2.876 20 0 GFADRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc(F)cc1I ZINC000048238054 654704023 /nfs/dbraw/zinc/70/40/23/654704023.db2.gz JADAIHAEMDJRDF-UONOGXRCSA-N 1 0 388.224 2.787 20 0 GFADRO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)c1cc(F)ccc1Br ZINC000048402009 654706267 /nfs/dbraw/zinc/70/62/67/654706267.db2.gz MNLTUPVLEUDIGL-UHFFFAOYSA-N 1 0 386.309 2.686 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000048744560 654712720 /nfs/dbraw/zinc/71/27/20/654712720.db2.gz UGLNJUBXZZIYOX-UHFFFAOYSA-N 1 0 396.329 2.995 20 0 GFADRO C[N@@H+]1CCC[C@H](NC(=O)c2cc(Cl)ccc2I)C1 ZINC000048752763 654712726 /nfs/dbraw/zinc/71/27/26/654712726.db2.gz GXFPMBKPTBPFMD-JTQLQIEISA-N 1 0 378.641 2.769 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000048752304 654712792 /nfs/dbraw/zinc/71/27/92/654712792.db2.gz MMJGIJWDGFOCNG-UHFFFAOYSA-N 1 0 382.302 2.687 20 0 GFADRO C[N@@H+]1CCC[C@H]2CN(S(=O)(=O)Cc3cccc(C(F)(F)F)c3)CC[C@@H]21 ZINC000122321171 654733938 /nfs/dbraw/zinc/73/39/38/654733938.db2.gz DHCRZFMLRISYKM-HOCLYGCPSA-N 1 0 376.444 2.951 20 0 GFADRO CCC[N@H+](CC)CCNC(=O)Nc1cc(Br)cnc1-n1cccn1 ZINC000122456589 654738023 /nfs/dbraw/zinc/73/80/23/654738023.db2.gz RWNHFPHGWCZCIB-UHFFFAOYSA-N 1 0 395.305 2.883 20 0 GFADRO C[N@@H+]1CCC[C@@H](CNC(=O)c2cc(I)c(F)cc2F)C1 ZINC000122859523 654744868 /nfs/dbraw/zinc/74/48/68/654744868.db2.gz HOJYIBHZFHQWRQ-VIFPVBQESA-N 1 0 394.203 2.641 20 0 GFADRO CN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)CC[N@H+](C)C2CCCC2)c1 ZINC000053435279 654746817 /nfs/dbraw/zinc/74/68/17/654746817.db2.gz QPXQIUXPTGVQEH-UHFFFAOYSA-N 1 0 387.933 2.793 20 0 GFADRO COc1cc(C[NH2+]C[C@@H](C)C[C@@H](C)O)cc(I)c1OC ZINC000123428275 654755630 /nfs/dbraw/zinc/75/56/30/654755630.db2.gz HBROLOUEWPNUCF-WDEREUQCSA-N 1 0 393.265 2.805 20 0 GFADRO COc1cc(C[NH2+]C[C@H](C)C[C@H](C)O)cc(I)c1OC ZINC000123429004 654755858 /nfs/dbraw/zinc/75/58/58/654755858.db2.gz HBROLOUEWPNUCF-MNOVXSKESA-N 1 0 393.265 2.805 20 0 GFADRO O=C(NCCc1ccc(Cl)nc1)NCC1([NH+]2CCSCC2)CCCC1 ZINC000123499964 654757773 /nfs/dbraw/zinc/75/77/73/654757773.db2.gz GWBGUVQLUQXRIW-UHFFFAOYSA-N 1 0 382.961 2.938 20 0 GFADRO O=c1c(Br)nn(CN2CC[NH+](C3CCCC3)CC2)c2ccccc12 ZINC000123703832 654761177 /nfs/dbraw/zinc/76/11/77/654761177.db2.gz FSWVBXVCROCYDM-UHFFFAOYSA-N 1 0 391.313 2.677 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)NCC(=O)Nc1ccc(Cl)cc1)c1ccsc1 ZINC000054649720 654762428 /nfs/dbraw/zinc/76/24/28/654762428.db2.gz PLFNTUIPJSUFAA-OAHLLOKOSA-N 1 0 380.901 2.942 20 0 GFADRO Cc1cc(C)c(Br)c(C(=O)NCCN2CCC([NH+](C)C)CC2)c1 ZINC000123748291 654762453 /nfs/dbraw/zinc/76/24/53/654762453.db2.gz KCEGBLGVKOVTIE-UHFFFAOYSA-N 1 0 382.346 2.822 20 0 GFADRO C[NH+]1CCC2(CCCN2C(=O)c2c(Br)nc3n2CCCC3)CC1 ZINC000837508168 661002210 /nfs/dbraw/zinc/00/22/10/661002210.db2.gz QQYJMMLYSPDTDS-UHFFFAOYSA-N 1 0 381.318 2.682 20 0 GFADRO CC[NH+](CC)[C@H](C)CNC(=O)N(C)C[C@@H](O)c1ccccc1Br ZINC000837507555 661002267 /nfs/dbraw/zinc/00/22/67/661002267.db2.gz AMUOEUIWYIHOHX-CZUORRHYSA-N 1 0 386.334 2.854 20 0 GFADRO CCOC(=O)N[C@@H]1CCC[N@H+](CCC(=O)Nc2cccc(Br)c2)C1 ZINC000123943089 654766628 /nfs/dbraw/zinc/76/66/28/654766628.db2.gz BGZVFYGUFINLHG-OAHLLOKOSA-N 1 0 398.301 2.988 20 0 GFADRO O=C(C[NH2+]C1(c2cccc(Br)c2)CCOCC1)NCC(F)(F)F ZINC000055055579 654768165 /nfs/dbraw/zinc/76/81/65/654768165.db2.gz ZHGZZIFWAQQDFO-UHFFFAOYSA-N 1 0 395.219 2.723 20 0 GFADRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)CN1C(=S)N=NC1c1cccs1 ZINC000055406119 654774247 /nfs/dbraw/zinc/77/42/47/654774247.db2.gz HPTRSUISGKATSZ-QWHCGFSZSA-N 1 0 379.555 2.532 20 0 GFADRO O=C(NC1CC1)C1CC[NH+](C[C@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000056511267 654796156 /nfs/dbraw/zinc/79/61/56/654796156.db2.gz BPNRSCUFMXSDEC-HNNXBMFYSA-N 1 0 387.307 2.724 20 0 GFADRO C[NH+](C)C1(CNC(=O)CCN2C(=S)N=NC2c2cccs2)CCCC1 ZINC000056527900 654796527 /nfs/dbraw/zinc/79/65/27/654796527.db2.gz TYPDWANOGSVDQW-UHFFFAOYSA-N 1 0 379.555 2.676 20 0 GFADRO C[C@@H](CNC(=O)[C@H](C)NC(=O)c1cccc(Cl)c1Cl)C[NH+]1CCCC1 ZINC000058967732 654824700 /nfs/dbraw/zinc/82/47/00/654824700.db2.gz UBAGWLJFTYCJKN-STQMWFEESA-N 1 0 386.323 2.960 20 0 GFADRO NC(=O)C1([NH+]2CCCCC2)CCN(C(=S)Nc2ccccc2Cl)CC1 ZINC000059120009 654825524 /nfs/dbraw/zinc/82/55/24/654825524.db2.gz UVPMXQPGWJPZPS-UHFFFAOYSA-N 1 0 380.945 2.843 20 0 GFADRO COC(=O)C[C@H](C)C(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000127428080 654829887 /nfs/dbraw/zinc/82/98/87/654829887.db2.gz HXKUJGFXTVJZQV-ZDUSSCGKSA-N 1 0 385.302 2.539 20 0 GFADRO O=S(=O)(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1ccc(F)c(Cl)c1 ZINC000127515492 654830923 /nfs/dbraw/zinc/83/09/23/654830923.db2.gz YYTHCCRPOVHALP-SJORKVTESA-N 1 0 390.908 2.525 20 0 GFADRO Cc1ccc(Cl)cc1S(=O)(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000127540070 654831949 /nfs/dbraw/zinc/83/19/49/654831949.db2.gz FWXVZCYZNGTMNB-IRXDYDNUSA-N 1 0 386.945 2.695 20 0 GFADRO Cc1cc(Br)cc(C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)c1 ZINC000127957860 654838495 /nfs/dbraw/zinc/83/84/95/654838495.db2.gz NYSWZZKYWNUBEI-AWEZNQCLSA-N 1 0 381.314 2.988 20 0 GFADRO Cc1ccc(Cl)c(S(=O)(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)c1 ZINC000128367433 654844762 /nfs/dbraw/zinc/84/47/62/654844762.db2.gz NUQXCFQMPLGUFY-SJORKVTESA-N 1 0 386.945 2.695 20 0 GFADRO CCC[NH+]1CCC(CNC(=O)C(=O)Nc2ccc(Br)cc2C)CC1 ZINC000128629606 654849116 /nfs/dbraw/zinc/84/91/16/654849116.db2.gz QECPAKQGJZAKRY-UHFFFAOYSA-N 1 0 396.329 2.934 20 0 GFADRO C[NH+]1CCC(NC(=S)N2CCCN(Cc3ccc(Cl)cc3)CC2)CC1 ZINC000063146238 654849800 /nfs/dbraw/zinc/84/98/00/654849800.db2.gz GHQXEHQAQBQFMI-UHFFFAOYSA-N 1 0 380.989 2.816 20 0 GFADRO C[NH+]1CCC(CNC(=O)C(=O)Nc2ccc(C(F)(F)F)cc2Cl)CC1 ZINC000129125352 654857666 /nfs/dbraw/zinc/85/76/66/654857666.db2.gz OKBURFTYIAXTPT-UHFFFAOYSA-N 1 0 377.794 2.755 20 0 GFADRO C[N@@H+]1CCC[C@H]2CN(S(=O)(=O)c3ccc(Br)s3)CC[C@@H]21 ZINC000129178372 654859423 /nfs/dbraw/zinc/85/94/23/654859423.db2.gz GPQIDCKGAMRXFY-QWRGUYRKSA-N 1 0 379.345 2.615 20 0 GFADRO CC(C)n1cc(Br)cc1C(=O)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000266268872 654867855 /nfs/dbraw/zinc/86/78/55/654867855.db2.gz QDMMPCBCXVHHBI-UHFFFAOYSA-N 1 0 397.361 2.685 20 0 GFADRO CCN(CC)S(=O)(=O)N(CC[NH+](C)C)Cc1ccc(C(F)(F)F)cc1 ZINC000064402806 654868308 /nfs/dbraw/zinc/86/83/08/654868308.db2.gz ANXAFPVBUUZKET-UHFFFAOYSA-N 1 0 381.464 2.656 20 0 GFADRO S=c1n(CN2CC[NH+](C3CCCC3)CC2)nnn1-c1ccc(Cl)cc1 ZINC000129745097 654871865 /nfs/dbraw/zinc/87/18/65/654871865.db2.gz AOJRWLAVZFKKDA-UHFFFAOYSA-N 1 0 378.933 2.969 20 0 GFADRO CN(CC(=O)OCc1cn(-c2ccc(F)cc2Cl)nn1)[C@@H]1CCSC1 ZINC000129905000 654876854 /nfs/dbraw/zinc/87/68/54/654876854.db2.gz IYJNACMEGZCSAV-CYBMUJFWSA-N 1 0 384.864 2.540 20 0 GFADRO CC(C)(O)C[NH+]1CCN(Cc2nc(-c3cccc(Br)c3)c[nH]2)CC1 ZINC000129946344 654878297 /nfs/dbraw/zinc/87/82/97/654878297.db2.gz MQGSHZRWQVYQCT-UHFFFAOYSA-N 1 0 393.329 2.728 20 0 GFADRO C[NH+](C)[C@@H]1CCCN(C(=O)c2ccc(S(=O)(=O)c3ccccc3)s2)C1 ZINC000130168916 654882166 /nfs/dbraw/zinc/88/21/66/654882166.db2.gz QHWPPPLPOSMVBH-CQSZACIVSA-N 1 0 378.519 2.747 20 0 GFADRO C[NH+](C)CCNC(=O)C1CCN(C(=S)Nc2ccc(F)c(Cl)c2)CC1 ZINC000065711082 654885434 /nfs/dbraw/zinc/88/54/34/654885434.db2.gz SGOPKZISFIKGTO-UHFFFAOYSA-N 1 0 386.924 2.566 20 0 GFADRO O=S(=O)(Cc1ccccc1Cl)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000266711220 654890991 /nfs/dbraw/zinc/89/09/91/654890991.db2.gz HNNHWOVPRWQARM-UHFFFAOYSA-N 1 0 386.945 2.747 20 0 GFADRO C[NH+](C)CCN(Cc1ccc(F)c(F)c1)S(=O)(=O)c1ccc(Cl)nc1 ZINC000065972510 654891958 /nfs/dbraw/zinc/89/19/58/654891958.db2.gz UFJCIBGAVYMFIH-UHFFFAOYSA-N 1 0 389.855 2.766 20 0 GFADRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]CC(=O)Nc2ccc(Br)cc2)C1 ZINC000130867611 654892484 /nfs/dbraw/zinc/89/24/84/654892484.db2.gz NONZGHJXUCJKOX-CQSZACIVSA-N 1 0 398.301 2.987 20 0 GFADRO COc1ccc(Br)cc1CNC(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000066192011 654896278 /nfs/dbraw/zinc/89/62/78/654896278.db2.gz FOOAHSFOLTWRTN-OAHLLOKOSA-N 1 0 382.302 2.837 20 0 GFADRO CN(C)S(=O)(=O)CCC[N@@H+](Cc1ccccc1)C[C@@H](O)c1cccs1 ZINC000131221373 654899244 /nfs/dbraw/zinc/89/92/44/654899244.db2.gz UWKYACDERJPEJT-QGZVFWFLSA-N 1 0 382.551 2.565 20 0 GFADRO C[C@@H](Oc1cccc(Br)c1)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000266967502 654901087 /nfs/dbraw/zinc/90/10/87/654901087.db2.gz PVYLOGJLIRFRRV-CQSZACIVSA-N 1 0 397.313 2.540 20 0 GFADRO CSc1nc(=O)[nH]c(C)c1C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000266995581 654903619 /nfs/dbraw/zinc/90/36/19/654903619.db2.gz WTXDMXBYVRWLPC-LBPRGKRZSA-N 1 0 378.523 2.841 20 0 GFADRO Cc1sc(C(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)cc1CS(C)(=O)=O ZINC000131497506 654908659 /nfs/dbraw/zinc/90/86/59/654908659.db2.gz YPDQOYHTPKGCSY-OAHLLOKOSA-N 1 0 384.567 2.549 20 0 GFADRO C[C@H](c1ccc([S@@](C)=O)cc1)N(C)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000267134660 654912710 /nfs/dbraw/zinc/91/27/10/654912710.db2.gz DFMIZMWOUAYZIS-HEXWXOJWSA-N 1 0 383.583 2.564 20 0 GFADRO Cc1ccc(C)n1-c1nc(CC(=O)NC[C@]2([NH+](C)C)CCSC2)cs1 ZINC000267160530 654914461 /nfs/dbraw/zinc/91/44/61/654914461.db2.gz YTPSZZLVJVVLEI-GOSISDBHSA-N 1 0 378.567 2.647 20 0 GFADRO CCC[NH+]1CCC(N(C)S(=O)(=O)c2ccc(NC(C)=O)c(Cl)c2)CC1 ZINC000267274073 654921628 /nfs/dbraw/zinc/92/16/28/654921628.db2.gz ZAGRDVJWWAVKKW-UHFFFAOYSA-N 1 0 387.933 2.793 20 0 GFADRO C[NH+]1CCN(c2ccc(Br)cc2NC(=O)CC[C@H]2CCOC2)CC1 ZINC000267518899 654932785 /nfs/dbraw/zinc/93/27/85/654932785.db2.gz WMFNPSOPDZDMPD-AWEZNQCLSA-N 1 0 396.329 2.956 20 0 GFADRO C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@H]1COCCO1 ZINC000067282472 654935038 /nfs/dbraw/zinc/93/50/38/654935038.db2.gz WJMZCUCGZKDYPX-MRXNPFEDSA-N 1 0 375.296 2.689 20 0 GFADRO CC(=O)NC[C@@H]1CCC[N@H+](C[C@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000067412138 654938132 /nfs/dbraw/zinc/93/81/32/654938132.db2.gz FENKLGDDEYWIFJ-ZFWWWQNUSA-N 1 0 375.296 2.581 20 0 GFADRO CC(=O)NC[C@@H]1CCC[N@H+](C[C@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000067415083 654938535 /nfs/dbraw/zinc/93/85/35/654938535.db2.gz JCDSEHZIDQFCJG-KBPBESRZSA-N 1 0 375.296 2.581 20 0 GFADRO OC[C@@]1([NH2+]C[C@H](O)COc2ccc(Br)cc2)CCc2ccccc21 ZINC000132501472 654939398 /nfs/dbraw/zinc/93/93/98/654939398.db2.gz CXPXNRDGYVVKCF-LPHOPBHVSA-N 1 0 392.293 2.612 20 0 GFADRO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)N[C@@H](C)CC[NH+](C)C ZINC000268031183 654956640 /nfs/dbraw/zinc/95/66/40/654956640.db2.gz GMRKLWMIJFWYMS-JTQLQIEISA-N 1 0 381.270 2.934 20 0 GFADRO Cc1cc(Br)ccc1S(=O)(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000133242222 654957752 /nfs/dbraw/zinc/95/77/52/654957752.db2.gz LWWRADPRNIBNOS-UHFFFAOYSA-N 1 0 396.310 2.663 20 0 GFADRO CCn1c(SCC(=O)N2CCC[C@H]2C[NH+](C)C)nnc1-c1cccs1 ZINC000268076894 654958298 /nfs/dbraw/zinc/95/82/98/654958298.db2.gz BYPBOUJUKLTNKE-ZDUSSCGKSA-N 1 0 379.555 2.671 20 0 GFADRO O=C(NCc1n[nH]cc1Br)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000068395534 654961708 /nfs/dbraw/zinc/96/17/08/654961708.db2.gz ATVXBMWMSMEMIT-CQSZACIVSA-N 1 0 377.286 2.701 20 0 GFADRO O=C([C@H]1CCC(=O)N1)N(CC[NH+]1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC000068476720 654963884 /nfs/dbraw/zinc/96/38/84/654963884.db2.gz SCXJEZGMFGELAX-MRXNPFEDSA-N 1 0 384.307 2.696 20 0 GFADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)c2cc(C)sc2Br)CC1 ZINC000268431703 654971388 /nfs/dbraw/zinc/97/13/88/654971388.db2.gz AUZBGKKPDLKUFO-LBPRGKRZSA-N 1 0 388.375 2.822 20 0 GFADRO CC(C)[N@@H+]1CCCN(CC(=O)N(C)Cc2ccccc2Br)CC1 ZINC000069083799 654972612 /nfs/dbraw/zinc/97/26/12/654972612.db2.gz ZTHSUMXGLHOBPA-UHFFFAOYSA-N 1 0 382.346 2.824 20 0 GFADRO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)c1cc(I)ccc1F ZINC000268536812 654976939 /nfs/dbraw/zinc/97/69/39/654976939.db2.gz JOYDAKBJDNNOOD-SNVBAGLBSA-N 1 0 388.224 2.644 20 0 GFADRO C[C@H]1C[C@@H](N(C)C(=O)c2cc(I)ccc2F)CC[N@@H+]1C ZINC000268547320 654977454 /nfs/dbraw/zinc/97/74/54/654977454.db2.gz VLAQUSFWQWHNFB-JQWIXIFHSA-N 1 0 390.240 2.985 20 0 GFADRO C[N@@H+](Cc1cc(Br)ccc1F)C[C@@H](O)COC[C@@H]1CCCO1 ZINC000069518800 654982795 /nfs/dbraw/zinc/98/27/95/654982795.db2.gz FIYCCHXUZVWTQP-CABCVRRESA-N 1 0 376.266 2.577 20 0 GFADRO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)Nc1ccc(Br)c(Cl)c1 ZINC000134095889 654982869 /nfs/dbraw/zinc/98/28/69/654982869.db2.gz FUDNLOPAMAAGEF-SNVBAGLBSA-N 1 0 390.709 2.888 20 0 GFADRO CC(C)C(=O)N1CCC[N@H+](C[C@@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000069609047 654984044 /nfs/dbraw/zinc/98/40/44/654984044.db2.gz JITOMXNFEBQCNT-CQSZACIVSA-N 1 0 389.323 2.923 20 0 GFADRO C[C@H]([NH2+]CCNC(=O)c1ccco1)c1ccccc1I ZINC000268756724 654985707 /nfs/dbraw/zinc/98/57/07/654985707.db2.gz LYGAGKPDNFHYJR-NSHDSACASA-N 1 0 384.217 2.965 20 0 GFADRO CC(=O)N1CCN(CC[NH2+][C@@H]2CCSc3ccc(Br)cc32)CC1 ZINC000268789943 654986916 /nfs/dbraw/zinc/98/69/16/654986916.db2.gz CXSRBKGQCPYQBA-MRXNPFEDSA-N 1 0 398.370 2.740 20 0 GFADRO Cc1ccc(C[NH2+]C[C@H](O)COc2ccc(I)cc2)nc1 ZINC000134274527 654988988 /nfs/dbraw/zinc/98/89/88/654988988.db2.gz LUNLNAPHQBEPNU-HNNXBMFYSA-N 1 0 398.244 2.524 20 0 GFADRO C[C@@H]([NH2+]C1CCN(CC(F)(F)F)CC1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000268861654 654989378 /nfs/dbraw/zinc/98/93/78/654989378.db2.gz ROAGSKZXOALPPL-LLVKDONJSA-N 1 0 382.423 2.907 20 0 GFADRO C[N@H+](CCNS(=O)(=O)c1cc(Br)cnc1Cl)C1CCCC1 ZINC000071377802 655000050 /nfs/dbraw/zinc/00/00/50/655000050.db2.gz PWPKDZRAXPARFA-UHFFFAOYSA-N 1 0 396.738 2.650 20 0 GFADRO O=S(=O)(N[C@@H]1CCC[NH2+]C1)c1c(Cl)cc(Br)cc1Cl ZINC000071397286 655000096 /nfs/dbraw/zinc/00/00/96/655000096.db2.gz ZSQBKXIKLFTHFT-MRVPVSSYSA-N 1 0 388.114 2.786 20 0 GFADRO C[NH+]1CCN(c2ccc(CNC(=O)c3ccccc3Br)cn2)CC1 ZINC000071823572 655000769 /nfs/dbraw/zinc/00/07/69/655000769.db2.gz OZRXSRIBXOTUKO-UHFFFAOYSA-N 1 0 389.297 2.526 20 0 GFADRO C[C@]1(CNC(=O)NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1(Cl)Cl ZINC000838670060 661052904 /nfs/dbraw/zinc/05/29/04/661052904.db2.gz JZXFYGLTBWLSAU-IAGOWNOFSA-N 1 0 386.323 2.507 20 0 GFADRO C[C@@H]1CN(C(=O)C2(c3ccc(Br)cc3)CCOCC2)CC[C@@H]1[NH3+] ZINC000269259272 655003289 /nfs/dbraw/zinc/00/32/89/655003289.db2.gz IUTPUGWSQVAWJH-CJNGLKHVSA-N 1 0 381.314 2.693 20 0 GFADRO C[C@@H]1CN(C(=O)[C@@H]2CCCN2C(=O)c2ccc(Cl)c(Cl)c2)CC[C@@H]1[NH3+] ZINC000269293462 655004237 /nfs/dbraw/zinc/00/42/37/655004237.db2.gz VHSFGVRFSMHRNR-RLCCDNCMSA-N 1 0 384.307 2.794 20 0 GFADRO C[NH+]1CCC(CCNS(=O)(=O)c2cc(Br)cnc2Cl)CC1 ZINC000135101185 655009726 /nfs/dbraw/zinc/00/97/26/655009726.db2.gz IXWCWMNBWRPVDM-UHFFFAOYSA-N 1 0 396.738 2.508 20 0 GFADRO C[NH+](C)[C@@H]1CCN(c2ccc(NC(=O)c3ccncc3Br)nc2)C1 ZINC000269446075 655009769 /nfs/dbraw/zinc/00/97/69/655009769.db2.gz RWWMSJYDRVSKHO-CYBMUJFWSA-N 1 0 390.285 2.632 20 0 GFADRO COCCOCCC[NH2+]Cc1ncc(Br)cc1Br ZINC000135280258 655013279 /nfs/dbraw/zinc/01/32/79/655013279.db2.gz JUNXMDBZMUWWRL-UHFFFAOYSA-N 1 0 382.096 2.749 20 0 GFADRO O[C@@H](COc1cccc(C(F)(F)F)c1)C[N@@H+]1CCS[C@H]2COCC[C@@H]21 ZINC000135533093 655019478 /nfs/dbraw/zinc/01/94/78/655019478.db2.gz IEBHOHAZUXXWJY-KBMXLJTQSA-N 1 0 377.428 2.651 20 0 GFADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(Cc2cnc(-c3cccs3)s2)CC1 ZINC000093821238 655021232 /nfs/dbraw/zinc/02/12/32/655021232.db2.gz HNPFUCWSCYEFHL-OAHLLOKOSA-N 1 0 376.551 2.610 20 0 GFADRO C[C@H]1CCC[N@@H+]1C1CCN(S(=O)(=O)c2c[nH]c3nccc(Cl)c23)CC1 ZINC000093926720 655024667 /nfs/dbraw/zinc/02/46/67/655024667.db2.gz NNOIDXWOJOHGRG-LBPRGKRZSA-N 1 0 382.917 2.854 20 0 GFADRO CN(C(=O)c1ccnc(Cl)c1I)C1CC[NH+](C)CC1 ZINC000136027306 655026796 /nfs/dbraw/zinc/02/67/96/655026796.db2.gz UGXVBGZJNFECJU-UHFFFAOYSA-N 1 0 393.656 2.506 20 0 GFADRO COC(=O)N1CCC([NH2+]Cc2cn(-c3cccc(Cl)c3Cl)nn2)CC1 ZINC000269964749 655029294 /nfs/dbraw/zinc/02/92/94/655029294.db2.gz JRJUSNNZKIUBIB-UHFFFAOYSA-N 1 0 384.267 2.895 20 0 GFADRO C[NH+](C)CCOc1cc(C(=O)NCc2cc(Br)ccc2F)ccn1 ZINC000136334753 655029788 /nfs/dbraw/zinc/02/97/88/655029788.db2.gz MQVCRDLAEIGYNU-UHFFFAOYSA-N 1 0 396.260 2.854 20 0 GFADRO C[NH+]1CCC([C@H]2CCN(S(=O)(=O)c3ccccc3Br)C2)CC1 ZINC000270021304 655031535 /nfs/dbraw/zinc/03/15/35/655031535.db2.gz AJGIUEMUTOKEDD-AWEZNQCLSA-N 1 0 387.343 2.802 20 0 GFADRO COc1c(Br)cc(Br)cc1C[NH2+]CCc1nnc[nH]1 ZINC000096767252 655032226 /nfs/dbraw/zinc/03/22/26/655032226.db2.gz KVEQJXYMRXKQJU-UHFFFAOYSA-N 1 0 390.079 2.671 20 0 GFADRO COC[C@@H]([NH2+][C@H](C)C(=O)Nc1cccc(I)c1)C1CC1 ZINC000136615930 655033823 /nfs/dbraw/zinc/03/38/23/655033823.db2.gz LYMMHNRCPQBZMU-QMTHXVAHSA-N 1 0 388.249 2.633 20 0 GFADRO O=C(CCc1ccccc1Br)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000136947025 655037005 /nfs/dbraw/zinc/03/70/05/655037005.db2.gz QVGSPMQSRPPWBW-OAHLLOKOSA-N 1 0 395.341 2.999 20 0 GFADRO CCN(CCC[NH2+]Cc1ccc(Cl)c(Br)c1)S(C)(=O)=O ZINC000137076142 655037473 /nfs/dbraw/zinc/03/74/73/655037473.db2.gz MUZIKCIXXZOFAN-UHFFFAOYSA-N 1 0 383.739 2.864 20 0 GFADRO CCC[NH+]1CCC(CNS(=O)(=O)c2sccc2Br)CC1 ZINC000101576306 655044864 /nfs/dbraw/zinc/04/48/64/655044864.db2.gz RKKYFXGZDVTMDU-UHFFFAOYSA-N 1 0 381.361 2.911 20 0 GFADRO CCN(CC)C(=O)C[NH+]1CCC(C(=O)Nc2ccccc2Br)CC1 ZINC000101916690 655048396 /nfs/dbraw/zinc/04/83/96/655048396.db2.gz QWKCBDJSCFCYLT-UHFFFAOYSA-N 1 0 396.329 2.968 20 0 GFADRO CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+][C@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)C1 ZINC000270594778 655050057 /nfs/dbraw/zinc/05/00/57/655050057.db2.gz JMEFMZNSVZSCJQ-GHJWDPDVSA-N 1 0 388.892 2.530 20 0 GFADRO COC(=O)c1nn(CN2CCC[C@H]2C[NH+]2CCCCC2)c(C)c1Br ZINC000151950689 655055424 /nfs/dbraw/zinc/05/54/24/655055424.db2.gz JJMYXHYYMBTRBA-AWEZNQCLSA-N 1 0 399.333 2.648 20 0 GFADRO C[C@H](NC(=O)NNc1c(Cl)cc(Cl)cc1Cl)[C@H]1CN(C)CCO1 ZINC000152564148 655059889 /nfs/dbraw/zinc/05/98/89/655059889.db2.gz OUDLALZBPJICJT-QPUJVOFHSA-N 1 0 381.691 2.992 20 0 GFADRO CC[NH+](CC)[C@H]1CCN(S(=O)(=O)c2cc(Br)ccc2OC)C1 ZINC000102827334 655061844 /nfs/dbraw/zinc/06/18/44/655061844.db2.gz MUBCBJVZDPBBLV-ZDUSSCGKSA-N 1 0 391.331 2.563 20 0 GFADRO Cn1cc(Br)cc1C(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1 ZINC000102837014 655062164 /nfs/dbraw/zinc/06/21/64/655062164.db2.gz BOQGUHXKPMSILE-UHFFFAOYSA-N 1 0 393.285 2.930 20 0 GFADRO C[C@@H](CN1CC[NH+](CCC(=O)N(C)C)CC1)c1cccc(Br)c1 ZINC000271188481 655069536 /nfs/dbraw/zinc/06/95/36/655069536.db2.gz OBSLUCSVVRQKAU-HNNXBMFYSA-N 1 0 382.346 2.649 20 0 GFADRO C[NH+]1CCC(CCNC(=O)Nc2cccc(S(=O)(=O)C(F)F)c2)CC1 ZINC000103292105 655070798 /nfs/dbraw/zinc/07/07/98/655070798.db2.gz REYMHCKQKWURTJ-UHFFFAOYSA-N 1 0 375.441 2.536 20 0 GFADRO CC[NH+](CC)CC(=O)N1CCN(Cc2csc(-c3cccs3)n2)CC1 ZINC000103492744 655073482 /nfs/dbraw/zinc/07/34/82/655073482.db2.gz LJSPIXMAZXVAQO-UHFFFAOYSA-N 1 0 378.567 2.858 20 0 GFADRO C[NH+](C)CCN(C(=O)c1cnn2cc(Br)cnc12)C1CCCCC1 ZINC000271316512 655075919 /nfs/dbraw/zinc/07/59/19/655075919.db2.gz TWUKJVZVZPIAHM-UHFFFAOYSA-N 1 0 394.317 2.828 20 0 GFADRO CC[NH+](CC)CCSCC(=O)N[C@@H](CO)c1ccc(Br)cc1 ZINC000271329313 655076144 /nfs/dbraw/zinc/07/61/44/655076144.db2.gz QCEPZQFHMKJWCZ-HNNXBMFYSA-N 1 0 389.359 2.674 20 0 GFADRO C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000104188839 655079536 /nfs/dbraw/zinc/07/95/36/655079536.db2.gz SJPJEXAAPNZIIM-MNOVXSKESA-N 1 0 375.694 2.938 20 0 GFADRO C[C@H]([NH2+]CCSC(C)(C)C)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000271420239 655080872 /nfs/dbraw/zinc/08/08/72/655080872.db2.gz BSACUXJFHGOAJK-HNNXBMFYSA-N 1 0 386.583 2.890 20 0 GFADRO C[C@@H](CNC(=O)NCCC(=O)Nc1ccc(Br)cc1)[N@H+](C)C1CC1 ZINC000105169633 655089283 /nfs/dbraw/zinc/08/92/83/655089283.db2.gz HTIIYFOLLZWCJT-LBPRGKRZSA-N 1 0 397.317 2.560 20 0 GFADRO COc1cc(Cl)c(S(=O)(=O)N2CC[C@@H]([NH+]3CCCC3)C2)cc1Cl ZINC000105620420 655096386 /nfs/dbraw/zinc/09/63/86/655096386.db2.gz VZTGFZHXGGPESG-LLVKDONJSA-N 1 0 379.309 2.861 20 0 GFADRO O=S1(=O)CC[C@@]2(C1)C[C@@H]([NH2+]Cc1ccc(OC(F)F)c(Cl)c1)CCO2 ZINC000271919096 655098683 /nfs/dbraw/zinc/09/86/83/655098683.db2.gz BNTWBKKCEHDVAA-LRDDRELGSA-N 1 0 395.855 2.767 20 0 GFADRO O=S1(=O)CC[C@@]2(C1)C[C@H]([NH2+]Cc1csc(-c3ccsc3)n1)CCO2 ZINC000271971156 655099801 /nfs/dbraw/zinc/09/98/01/655099801.db2.gz HTVADEDPOBVGOF-CJNGLKHVSA-N 1 0 384.548 2.698 20 0 GFADRO O=S1(=O)CC[C@]2(C1)C[C@@H]([NH2+]Cc1cc(F)cc(C(F)(F)F)c1)CCO2 ZINC000271986723 655100230 /nfs/dbraw/zinc/10/02/30/655100230.db2.gz KLDHEXSUMLJIBA-LSDHHAIUSA-N 1 0 381.391 2.670 20 0 GFADRO C[N@@H+]1CC[C@H]2CCN(C(=O)Nc3cccc(I)c3)[C@H]2C1 ZINC000272287793 655108055 /nfs/dbraw/zinc/10/80/55/655108055.db2.gz NRHRZJOYQPJKQM-FZMZJTMJSA-N 1 0 385.249 2.849 20 0 GFADRO CC(C)[C@@H](C(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)[NH+](C)C ZINC000106408366 655108401 /nfs/dbraw/zinc/10/84/01/655108401.db2.gz GMBLLFNENUMLQD-INIZCTEOSA-N 1 0 387.933 2.649 20 0 GFADRO Cc1sc2ncnc(SCC(=O)N3CC[C@@H]4CC[N@@H+](C)C[C@H]43)c2c1C ZINC000272608937 655117223 /nfs/dbraw/zinc/11/72/23/655117223.db2.gz KAOYYXFWNMOFAT-UONOGXRCSA-N 1 0 376.551 2.953 20 0 GFADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)C[C@@H]3Sc4ccc(Cl)cc4NC3=O)[C@H]2C1 ZINC000272620384 655117423 /nfs/dbraw/zinc/11/74/23/655117423.db2.gz LTBVZRPTNLTJBU-WPGHFRTFSA-N 1 0 379.913 2.696 20 0 GFADRO C[C@@H]([NH2+]C1CCN(CCS(C)(=O)=O)CC1)c1ccccc1Br ZINC000159915810 655117627 /nfs/dbraw/zinc/11/76/27/655117627.db2.gz RPBNXTNOWVDEQM-CYBMUJFWSA-N 1 0 389.359 2.609 20 0 GFADRO C[C@@H](NC(=O)c1cc(I)ccc1F)C1=CC[N@H+](C)CC1 ZINC000272666410 655118315 /nfs/dbraw/zinc/11/83/15/655118315.db2.gz HXENKUKUCAHGFB-SNVBAGLBSA-N 1 0 388.224 2.811 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)NCC1(C)CC[NH+](C)CC1 ZINC000272695188 655119310 /nfs/dbraw/zinc/11/93/10/655119310.db2.gz OOSVAJHLKKPGIP-UHFFFAOYSA-N 1 0 396.329 2.853 20 0 GFADRO CC[NH+]1CCN([C@@H]2CCN(Cc3cn4cc(Cl)cc(Cl)c4n3)C2)CC1 ZINC000107368879 655120343 /nfs/dbraw/zinc/12/03/43/655120343.db2.gz ODEOYLGMFODQCB-MRXNPFEDSA-N 1 0 382.339 2.853 20 0 GFADRO CC[NH+]1CCN([C@@H](C)CNC(=O)CCc2cc(Br)cs2)CC1 ZINC000107358204 655120363 /nfs/dbraw/zinc/12/03/63/655120363.db2.gz ZSPDYZMWDGHDPM-ZDUSSCGKSA-N 1 0 388.375 2.585 20 0 GFADRO CC[NH+](CC)CCSCC(=O)Nc1ccncc1I ZINC000272775845 655121016 /nfs/dbraw/zinc/12/10/16/655121016.db2.gz HXUGJGIIYLGHFB-UHFFFAOYSA-N 1 0 393.294 2.700 20 0 GFADRO C[C@@H](NC(=O)c1cc(F)ccc1I)C1=CC[N@H+](C)CC1 ZINC000272841113 655122947 /nfs/dbraw/zinc/12/29/47/655122947.db2.gz ZSFZDUJVDHMFSX-SNVBAGLBSA-N 1 0 388.224 2.811 20 0 GFADRO CN(CCOc1ccc(Br)cc1)C(=O)C[N@H+](C)C[C@H]1CCCOC1 ZINC000107694163 655123968 /nfs/dbraw/zinc/12/39/68/655123968.db2.gz HLDQBEPBRBCSDB-OAHLLOKOSA-N 1 0 399.329 2.645 20 0 GFADRO CC[N@@H+]1CC[C@H](CNC(=O)c2cnc(Sc3nccn3C)c(Cl)c2)C1 ZINC000107887882 655125849 /nfs/dbraw/zinc/12/58/49/655125849.db2.gz VVWIUSRCMCQLPT-GFCCVEGCSA-N 1 0 379.917 2.691 20 0 GFADRO CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)C1 ZINC000107895295 655125878 /nfs/dbraw/zinc/12/58/78/655125878.db2.gz SHBQHFVDWMZAHI-JSGCOSHPSA-N 1 0 384.307 2.804 20 0 GFADRO C[N@H+](CCc1ccc(S(N)(=O)=O)cc1)Cc1ccccc1Br ZINC000107908887 655125923 /nfs/dbraw/zinc/12/59/23/655125923.db2.gz AHFMUTNOVACRSL-UHFFFAOYSA-N 1 0 383.311 2.771 20 0 GFADRO CC[N@@H+]1CC[C@@H](CNC(=O)c2[nH]nc(-c3ccccc3)c2Br)C1 ZINC000107887934 655125956 /nfs/dbraw/zinc/12/59/56/655125956.db2.gz KRXPYYVJOABGJD-LBPRGKRZSA-N 1 0 377.286 2.911 20 0 GFADRO CN(Cc1cc(Br)cs1)C(=O)C[NH+]1CCC(CCCO)CC1 ZINC000272962577 655126691 /nfs/dbraw/zinc/12/66/91/655126691.db2.gz NWSQJURGMYUXGH-UHFFFAOYSA-N 1 0 389.359 2.954 20 0 GFADRO C[C@H](CNS(=O)(=O)c1ccc(Br)cc1F)[NH+]1CCCCC1 ZINC000162006803 655129503 /nfs/dbraw/zinc/12/95/03/655129503.db2.gz VESDDLQRZQYSEG-LLVKDONJSA-N 1 0 379.295 2.741 20 0 GFADRO COCCN1CC[C@H]([NH2+]CC2(c3ccc(Br)cc3)CCOCC2)C1 ZINC000273078853 655129637 /nfs/dbraw/zinc/12/96/37/655129637.db2.gz KWKLIOWBXBLFBH-SFHVURJKSA-N 1 0 397.357 2.808 20 0 GFADRO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)c1cnn(-c2cccc(Br)c2)c1 ZINC000108298254 655130723 /nfs/dbraw/zinc/13/07/23/655130723.db2.gz FUIBYMRVGSWBEU-MRXNPFEDSA-N 1 0 389.297 2.849 20 0 GFADRO O=C(N[C@H]1CC[N@H+](CC2CC2)C1)c1ccc(-n2cc(Br)cn2)cc1 ZINC000108307620 655131009 /nfs/dbraw/zinc/13/10/09/655131009.db2.gz XVTPYCGFEZJJCQ-INIZCTEOSA-N 1 0 389.297 2.849 20 0 GFADRO O=C(Nc1ccc(I)cc1)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000108495255 655134345 /nfs/dbraw/zinc/13/43/45/655134345.db2.gz AMGYZVWOKKAENH-AWEZNQCLSA-N 1 0 385.249 2.897 20 0 GFADRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)CS(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000108610440 655135813 /nfs/dbraw/zinc/13/58/13/655135813.db2.gz ABZHSFHZRWSPKF-GJZGRUSLSA-N 1 0 386.945 2.598 20 0 GFADRO O=C([C@@H](O)c1cc(Cl)cc(Cl)c1)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000164024830 655136691 /nfs/dbraw/zinc/13/66/91/655136691.db2.gz LGWPDXMGIVSCEW-GUYCJALGSA-N 1 0 387.307 2.598 20 0 GFADRO CS(=O)(=O)NC[C@H]1CCC[N@H+](CCCc2ccccc2Br)C1 ZINC000273306075 655138564 /nfs/dbraw/zinc/13/85/64/655138564.db2.gz HPACJMNBNMYDSA-CQSZACIVSA-N 1 0 389.359 2.643 20 0 GFADRO COc1cc(C)c([C@H](C)[NH2+]C[C@H](O)CS(=O)(=O)c2cccs2)cc1C ZINC000273428612 655143211 /nfs/dbraw/zinc/14/32/11/655143211.db2.gz YTFAXWAIOCUJLM-GJZGRUSLSA-N 1 0 383.535 2.859 20 0 GFADRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)C(=O)Nc1cc(Cl)c(N)c(Cl)c1 ZINC000839477989 661085873 /nfs/dbraw/zinc/08/58/73/661085873.db2.gz DCIWSAFJGOWPDR-PHIMTYICSA-N 1 0 387.311 2.893 20 0 GFADRO C[NH+](C)CCCN(C(=O)c1cccc(Cl)c1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000273598924 655150120 /nfs/dbraw/zinc/15/01/20/655150120.db2.gz MZTQPJFBOHQCCR-GFCCVEGCSA-N 1 0 393.336 2.574 20 0 GFADRO CCC[NH+]1CCC(CNS(=O)(=O)c2ccc(F)cc2Br)CC1 ZINC000109854846 655153395 /nfs/dbraw/zinc/15/33/95/655153395.db2.gz FONPHJHWVYKLCW-UHFFFAOYSA-N 1 0 393.322 2.989 20 0 GFADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)Nc1ccc(SC(F)(F)F)nc1 ZINC000839178485 661075112 /nfs/dbraw/zinc/07/51/12/661075112.db2.gz JFOSWITUEYNUCS-LBPRGKRZSA-N 1 0 378.420 2.926 20 0 GFADRO OC[C@@H]([NH2+]CCC[C@@H]1CCOC1)c1ccccc1I ZINC000934826869 664924552 /nfs/dbraw/zinc/92/45/52/664924552.db2.gz PBVMVAPZPMILNJ-IUODEOHRSA-N 1 0 375.250 2.731 20 0 GFADRO C[C@@H]([NH2+]C[C@@H]1COC2(CCOCC2)O1)c1cc(Br)ncc1F ZINC000273880198 655162276 /nfs/dbraw/zinc/16/22/76/655162276.db2.gz QUVAOQNQWAWAJT-GHMZBOCLSA-N 1 0 375.238 2.556 20 0 GFADRO CCOC(=O)[C@H](C)[C@@H](C)[NH2+]CC(=O)Nc1ccc(Br)cc1F ZINC000273915314 655164057 /nfs/dbraw/zinc/16/40/57/655164057.db2.gz AVGPXMFGMKZJBQ-NXEZZACHSA-N 1 0 375.238 2.704 20 0 GFADRO CN1CC[NH+](CC2CCN(C(=O)[C@@H]3SCCc4sccc43)CC2)CC1 ZINC000173278528 655166897 /nfs/dbraw/zinc/16/68/97/655166897.db2.gz SSWIGTZYBDOYHW-GOSISDBHSA-N 1 0 379.595 2.565 20 0 GFADRO C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@H+]1[C@@H]2CC[C@H]1CC(O)C2 ZINC000111317106 655168592 /nfs/dbraw/zinc/16/85/92/655168592.db2.gz SCXCDXGOBSODBY-QIXHYMPYSA-N 1 0 381.314 2.784 20 0 GFADRO C[C@H]([NH2+]C1CCN(CCS(C)(=O)=O)CC1)c1ccc(C(F)(F)F)cc1 ZINC000173404917 655170428 /nfs/dbraw/zinc/17/04/28/655170428.db2.gz RBWJIZYWXNFLOR-ZDUSSCGKSA-N 1 0 378.460 2.865 20 0 GFADRO CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)Nc2cc(Br)ccc2C)C1 ZINC000173710728 655177082 /nfs/dbraw/zinc/17/70/82/655177082.db2.gz KLTVTQLRMQDHSM-AWEZNQCLSA-N 1 0 382.302 2.639 20 0 GFADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@@H]1CCc2c1cccc2Br ZINC000111853877 655178247 /nfs/dbraw/zinc/17/82/47/655178247.db2.gz YDFBKGSLZOCRAP-SUMWQHHRSA-N 1 0 396.329 2.846 20 0 GFADRO Cn1ncc(C(=O)Nc2ccc(N3CCC[N@H+](C)CC3)cc2)c1Br ZINC000274266067 655182684 /nfs/dbraw/zinc/18/26/84/655182684.db2.gz WELMOAPRRDSGOX-UHFFFAOYSA-N 1 0 392.301 2.577 20 0 GFADRO CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]CCc2cn3c(n2)SCC3)cc1 ZINC000274381944 655186428 /nfs/dbraw/zinc/18/64/28/655186428.db2.gz MXGCWIOLJMYJIR-ZDUSSCGKSA-N 1 0 380.539 2.644 20 0 GFADRO COc1cc(Br)c(C[NH2+]CCc2cn3c(n2)SCC3)cc1O ZINC000274463833 655189763 /nfs/dbraw/zinc/18/97/63/655189763.db2.gz XFMITFGYXYQOHS-UHFFFAOYSA-N 1 0 384.299 2.798 20 0 GFADRO C[C@@H]1CC[C@H](C)[N@H+](CC(=O)Nc2ccc(Cl)c(S(=O)(=O)N(C)C)c2)C1 ZINC000174012130 655190301 /nfs/dbraw/zinc/19/03/01/655190301.db2.gz HTXINZVBEXGAJV-OLZOCXBDSA-N 1 0 387.933 2.649 20 0 GFADRO Cc1cc(Br)cn2cc(CNC(=O)N(C)CC[N@H+](C)C3CC3)nc12 ZINC000274496684 655190835 /nfs/dbraw/zinc/19/08/35/655190835.db2.gz HATYCBNPNIAFFF-UHFFFAOYSA-N 1 0 394.317 2.641 20 0 GFADRO CNC(=O)c1cccc(C[N@H+](C)C[C@H](O)c2cccc(Br)c2)c1 ZINC000839640492 661097928 /nfs/dbraw/zinc/09/79/28/661097928.db2.gz LISMYVNMFXEXBM-KRWDZBQOSA-N 1 0 377.282 2.974 20 0 GFADRO CC[C@@]1(C(=O)NCc2nnc3c(Cl)cc(C(F)(F)F)cn23)CCC[NH2+]1 ZINC000274619698 655194431 /nfs/dbraw/zinc/19/44/31/655194431.db2.gz PFGKJRRUZGNTIW-AWEZNQCLSA-N 1 0 375.782 2.550 20 0 GFADRO CN(CC[NH+]1CCCC1)C(=O)N[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000112748651 655197144 /nfs/dbraw/zinc/19/71/44/655197144.db2.gz MWUROWVZMAWFKO-MRXNPFEDSA-N 1 0 395.345 2.765 20 0 GFADRO O=C(NCCc1nc(C(F)(F)F)cs1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000174305760 655198299 /nfs/dbraw/zinc/19/82/99/655198299.db2.gz IWJQRDBNBHNQFU-LBPRGKRZSA-N 1 0 376.448 2.832 20 0 GFADRO CC(C)(O)C[NH+]1CCN(C(=O)Cc2ccc(Cl)cc2Br)CC1 ZINC000113174449 655204590 /nfs/dbraw/zinc/20/45/90/655204590.db2.gz ADYGMZAYJHUCPP-UHFFFAOYSA-N 1 0 389.721 2.560 20 0 GFADRO Cc1sc(Br)nc1C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000839684553 661099833 /nfs/dbraw/zinc/09/98/33/661099833.db2.gz WXNWXEOVBPBDKV-LBPRGKRZSA-N 1 0 388.331 2.587 20 0 GFADRO CC[C@@H]1CN(C(=O)c2cc3c(cccc3Br)[nH]2)CC[N@@H+]1C[C@@H](C)O ZINC000174601799 655204989 /nfs/dbraw/zinc/20/49/89/655204989.db2.gz ZXBVXIFFFRHJIM-CHWSQXEVSA-N 1 0 394.313 2.848 20 0 GFADRO C[NH+]1CCC2(CCN2C(=O)c2cnc3ccc(Br)cc3c2O)CC1 ZINC000839689352 661099968 /nfs/dbraw/zinc/09/99/68/661099968.db2.gz MVOHTCAIAXLUPP-UHFFFAOYSA-N 1 0 390.281 2.601 20 0 GFADRO Cc1c(Br)scc1C(=O)NCC1(O)CC[NH+](C(C)C)CC1 ZINC000274965491 655209203 /nfs/dbraw/zinc/20/92/03/655209203.db2.gz QZFWONNRWGYCBM-UHFFFAOYSA-N 1 0 375.332 2.784 20 0 GFADRO CNC(=O)CC1CC[NH+](C[C@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000175030627 655212656 /nfs/dbraw/zinc/21/26/56/655212656.db2.gz XSXYQINPHQNBLG-AWEZNQCLSA-N 1 0 375.296 2.581 20 0 GFADRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)Nc1ccc(Br)cc1 ZINC000113646840 655213063 /nfs/dbraw/zinc/21/30/63/655213063.db2.gz WKQNHDOSWXXYHO-OAHLLOKOSA-N 1 0 382.302 2.768 20 0 GFADRO CS[C@@H]1CN(CCCS(=O)(=O)c2cccc(C)c2)C[C@H]1[NH+]1CCCC1 ZINC000275038744 655213216 /nfs/dbraw/zinc/21/32/16/655213216.db2.gz GSEXVJBYPJIELB-RTBURBONSA-N 1 0 382.595 2.670 20 0 GFADRO O=C(CC[N@H+]1CC[C@@H](C(=O)NCC(F)(F)F)C1)Nc1ccccc1Cl ZINC000275092751 655216152 /nfs/dbraw/zinc/21/61/52/655216152.db2.gz IIVPBWJHBGUBFX-LLVKDONJSA-N 1 0 377.794 2.669 20 0 GFADRO COC(=O)c1cc(S(=O)(=O)NC[C@H](C)[N@H+](C)C2CC2)c(Cl)cc1Cl ZINC000175265571 655217082 /nfs/dbraw/zinc/21/70/82/655217082.db2.gz GAXIVTBXHLGCAY-VIFPVBQESA-N 1 0 395.308 2.541 20 0 GFADRO CS[C@@H]1CN(C(=O)c2cn(C)nc2-c2cccs2)C[C@H]1[NH+]1CCCC1 ZINC000275148769 655219571 /nfs/dbraw/zinc/21/95/71/655219571.db2.gz ROSCBBFJBHXMEA-GDBMZVCRSA-N 1 0 376.551 2.800 20 0 GFADRO CS[C@H]1CN(C(=O)c2cn(C)nc2-c2cccs2)C[C@H]1[NH+]1CCCC1 ZINC000275148780 655219584 /nfs/dbraw/zinc/21/95/84/655219584.db2.gz ROSCBBFJBHXMEA-ZBFHGGJFSA-N 1 0 376.551 2.800 20 0 GFADRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C1(c2ccc(Br)cc2)CCOCC1 ZINC000275158311 655220317 /nfs/dbraw/zinc/22/03/17/655220317.db2.gz NLZFLWBWSVRILC-CZUORRHYSA-N 1 0 381.314 2.612 20 0 GFADRO CC1(C)CN(C(=O)c2cc(Cl)ccc2I)CC[NH2+]1 ZINC000175421591 655221047 /nfs/dbraw/zinc/22/10/47/655221047.db2.gz HFJFUAQETSIJRC-UHFFFAOYSA-N 1 0 378.641 2.769 20 0 GFADRO COCCC[NH+]1CCC(NC(=O)Cc2ccc(Br)s2)CC1 ZINC000114327013 655221859 /nfs/dbraw/zinc/22/18/59/655221859.db2.gz BVGNUZSSLJPJBC-UHFFFAOYSA-N 1 0 375.332 2.670 20 0 GFADRO C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)N1CC[C@H](C[NH+](C)C)C1 ZINC000114478449 655224869 /nfs/dbraw/zinc/22/48/69/655224869.db2.gz AAGXORMGYZZJSM-GOEBONIOSA-N 1 0 382.346 2.680 20 0 GFADRO C[C@H](CNC(=O)N1CCC[C@H]([NH+](C)C)C1)Oc1ccccc1Br ZINC000175976918 655230636 /nfs/dbraw/zinc/23/06/36/655230636.db2.gz VKXPVXCEFFMVMN-KGLIPLIRSA-N 1 0 384.318 2.952 20 0 GFADRO C[N@H+]1CC=C(CNC(=O)c2cc(Br)cnc2Br)CC1 ZINC000935248014 664948323 /nfs/dbraw/zinc/94/83/23/664948323.db2.gz UJNDLGJHZDCCPL-UHFFFAOYSA-N 1 0 389.091 2.598 20 0 GFADRO CSc1nnc(CNC(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)s1 ZINC000275508541 655239366 /nfs/dbraw/zinc/23/93/66/655239366.db2.gz SFPLNPZKLQNEFN-AWEZNQCLSA-N 1 0 377.539 2.724 20 0 GFADRO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)NCC[NH+]1CCCC1 ZINC000176198561 655239626 /nfs/dbraw/zinc/23/96/26/655239626.db2.gz MXKNNGVKJQVFSL-UHFFFAOYSA-N 1 0 379.254 2.690 20 0 GFADRO CCOCCC[N@@H+]1CC[C@@H](NS(=O)(=O)c2cccc(Cl)c2F)[C@H](C)C1 ZINC000115592156 655240048 /nfs/dbraw/zinc/24/00/48/655240048.db2.gz LQODAFQKZPILQV-UKRRQHHQSA-N 1 0 392.924 2.894 20 0 GFADRO CN(CC1CC[NH+](C)CC1)C(=O)c1cc(=O)[nH]c2c(Br)cccc12 ZINC000176242685 655241192 /nfs/dbraw/zinc/24/11/92/655241192.db2.gz QQLRVYGZIBVJNK-UHFFFAOYSA-N 1 0 392.297 2.704 20 0 GFADRO COc1ccc(Br)cc1CNC(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000115814126 655242593 /nfs/dbraw/zinc/24/25/93/655242593.db2.gz DDQHFDBVDIVUHI-CYBMUJFWSA-N 1 0 384.318 2.941 20 0 GFADRO C[C@H](CNC(=O)/C=C/c1csc(Br)c1)C[NH+]1CCN(C)CC1 ZINC000116200749 655245946 /nfs/dbraw/zinc/24/59/46/655245946.db2.gz WGQCPJWREQCUEZ-ITDFMYJTSA-N 1 0 386.359 2.524 20 0 GFADRO CSc1nnc(CNC(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)s1 ZINC000275709896 655247826 /nfs/dbraw/zinc/24/78/26/655247826.db2.gz UOYTZZLSIQHSGB-LLVKDONJSA-N 1 0 383.568 2.958 20 0 GFADRO Cc1ccc(Br)c(NC(=O)C(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)c1 ZINC000275773735 655250501 /nfs/dbraw/zinc/25/05/01/655250501.db2.gz DXHNZZVCSHFKNJ-ZDUSSCGKSA-N 1 0 396.329 2.885 20 0 GFADRO COc1cc(C[NH2+]Cc2ccc(C(=O)N(C)C)[nH]2)cc(Br)c1OC ZINC000176758706 655255431 /nfs/dbraw/zinc/25/54/31/655255431.db2.gz GUMXGSIATRVBGH-UHFFFAOYSA-N 1 0 396.285 2.786 20 0 GFADRO Cc1nc(C)c(S(=O)(=O)NCc2ccc(OCCC[NH+](C)C)cc2)s1 ZINC000176897207 655259851 /nfs/dbraw/zinc/25/98/51/655259851.db2.gz SJRDSRGEYJADIG-UHFFFAOYSA-N 1 0 383.539 2.569 20 0 GFADRO CNS(=O)(=O)c1cccc(C[NH2+][C@H]2CCSc3ccc(OC)cc32)c1 ZINC000276198305 655266929 /nfs/dbraw/zinc/26/69/29/655266929.db2.gz YDVAFLKQYNXEAO-KRWDZBQOSA-N 1 0 378.519 2.930 20 0 GFADRO CN(CC[NH+](C)C)C(=O)Nc1ccc(CCn2cc(Br)cn2)cc1 ZINC000177067056 655266962 /nfs/dbraw/zinc/26/69/62/655266962.db2.gz ZCPURGLMRWLFSE-UHFFFAOYSA-N 1 0 394.317 2.914 20 0 GFADRO C[NH+](C)C(C)(C)CNC(=O)c1nn(-c2ccc(F)cc2)cc1Br ZINC000117744390 655267647 /nfs/dbraw/zinc/26/76/47/655267647.db2.gz VUALXFGCXOMAMM-UHFFFAOYSA-N 1 0 383.265 2.844 20 0 GFADRO C[NH+](C)[C@H]1CCCN(C(=O)c2nn(-c3ccc(F)cc3)cc2Br)C1 ZINC000117783643 655267895 /nfs/dbraw/zinc/26/78/95/655267895.db2.gz QEGAKCFEEZCKRZ-AWEZNQCLSA-N 1 0 395.276 2.940 20 0 GFADRO COC(=O)[C@]1(C)CC[N@H+](Cn2nc(-c3ccc(Br)cc3)nc2C)C1 ZINC000177225574 655270804 /nfs/dbraw/zinc/27/08/04/655270804.db2.gz UGEJIXMXUITLEL-QGZVFWFLSA-N 1 0 393.285 2.859 20 0 GFADRO CCC(CC)[C@H](CNC(=O)C(=O)Nc1cccc(Br)c1)[NH+](C)C ZINC000118099292 655271841 /nfs/dbraw/zinc/27/18/41/655271841.db2.gz DLNNMFXCYAFEQQ-HNNXBMFYSA-N 1 0 384.318 2.870 20 0 GFADRO Cc1ccc(NC(=O)C(=O)NCC[N@@H+](C)C2CCCC2)c(Br)c1 ZINC000118131202 655272376 /nfs/dbraw/zinc/27/23/76/655272376.db2.gz YSXMSCWVSBZEKO-UHFFFAOYSA-N 1 0 382.302 2.687 20 0 GFADRO O=C(CN1CCc2cccc(Br)c2C1)NC1CC[NH+](C2CC2)CC1 ZINC000118411083 655275740 /nfs/dbraw/zinc/27/57/40/655275740.db2.gz JZRTYCHSTFOUPM-UHFFFAOYSA-N 1 0 392.341 2.550 20 0 GFADRO C[NH+](C)[C@H]1CCCN(C(=O)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000177531668 655279835 /nfs/dbraw/zinc/27/98/35/655279835.db2.gz PDPQFTRRCVPQBY-NSHDSACASA-N 1 0 377.794 2.850 20 0 GFADRO C[NH+](C)[C@H]1CCCN(C(=O)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)C1 ZINC000177544997 655280460 /nfs/dbraw/zinc/28/04/60/655280460.db2.gz HXXLMASSYVZZAL-NSHDSACASA-N 1 0 377.794 2.850 20 0 GFADRO CC[NH+]1CCN([C@@H]2CCN(CC(=O)Nc3cc(Cl)ccc3Cl)C2)CC1 ZINC000118834790 655282801 /nfs/dbraw/zinc/28/28/01/655282801.db2.gz QXSXOGLFYFSIHG-OAHLLOKOSA-N 1 0 385.339 2.644 20 0 GFADRO Cc1cc(NC(=O)C(=O)NC[C@@H](C)C[NH+]2CCCCC2)ccc1Br ZINC000118896121 655283070 /nfs/dbraw/zinc/28/30/70/655283070.db2.gz DOHVEHREQXLAPI-CYBMUJFWSA-N 1 0 396.329 2.934 20 0 GFADRO OCC[C@H]1CCC[C@H]1[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000276680626 655283382 /nfs/dbraw/zinc/28/33/82/655283382.db2.gz LQOCIFMJBPRYTE-RHSMWYFYSA-N 1 0 383.330 2.926 20 0 GFADRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)c1cc(=O)[nH]c2ccc(Br)cc21 ZINC000118960109 655284569 /nfs/dbraw/zinc/28/45/69/655284569.db2.gz ACQAMAUPMBWIGO-GFCCVEGCSA-N 1 0 392.297 2.704 20 0 GFADRO CCc1cc(N2CCC[C@@H]([NH2+][C@@H](C)Cn3cc(Br)cn3)C2)ncn1 ZINC000119052853 655288092 /nfs/dbraw/zinc/28/80/92/655288092.db2.gz JXUDGPXLLFIZSM-XJKSGUPXSA-N 1 0 393.333 2.645 20 0 GFADRO CCc1nc2c(s1)[C@H]([NH2+]CCS(=O)(=O)NCc1ccccc1)CCC2 ZINC000177770584 655288421 /nfs/dbraw/zinc/28/84/21/655288421.db2.gz MEZYEMHWVWWGFZ-OAHLLOKOSA-N 1 0 379.551 2.792 20 0 GFADRO Cc1cc(NC(=O)C[N@@H+]2CCC[C@@H](Cn3ccnn3)C2)ccc1Br ZINC000119115232 655290932 /nfs/dbraw/zinc/29/09/32/655290932.db2.gz MCVMCJYEBIQPJM-CQSZACIVSA-N 1 0 392.301 2.700 20 0 GFADRO Cc1cc(S(=O)(=O)NCC2([NH+]3CCCC3)CCOCC2)sc1Cl ZINC000276886118 655292023 /nfs/dbraw/zinc/29/20/23/655292023.db2.gz KWORVJXGQNMWFE-UHFFFAOYSA-N 1 0 378.947 2.633 20 0 GFADRO COC[C@H](O)C[NH+]1CCC(c2nc(-c3ccccc3Br)no2)CC1 ZINC000276916634 655292821 /nfs/dbraw/zinc/29/28/21/655292821.db2.gz RBHILKJOLLSFGV-CYBMUJFWSA-N 1 0 396.285 2.686 20 0 GFADRO COC(=O)c1cc(C[NH2+]C[C@H](CO)Cc2ccccc2Br)c[nH]1 ZINC000276973315 655295862 /nfs/dbraw/zinc/29/58/62/655295862.db2.gz FSSSCNJXBJIZBA-CYBMUJFWSA-N 1 0 381.270 2.505 20 0 GFADRO COc1cc(C[NH2+]Cc2ccc(S(C)(=O)=O)c(Cl)c2)cc2c1OCO2 ZINC000276999571 655297469 /nfs/dbraw/zinc/29/74/69/655297469.db2.gz JNPBFWWNDJHXIS-UHFFFAOYSA-N 1 0 383.853 2.771 20 0 GFADRO C[NH+](C)[C@H]1CCCN(C(=O)Cc2ccccc2I)CC1 ZINC000277098977 655303424 /nfs/dbraw/zinc/30/34/24/655303424.db2.gz CHBRUMKCMRFYHJ-AWEZNQCLSA-N 1 0 386.277 2.776 20 0 GFADRO [NH3+]C[C@H]1CCN(C(=O)c2ccc(NC(=O)CSc3cccs3)cc2)C1 ZINC000178532656 655304060 /nfs/dbraw/zinc/30/40/60/655304060.db2.gz MEUHMBFLABYYSF-CYBMUJFWSA-N 1 0 375.519 2.900 20 0 GFADRO CC(=O)NC1CCC([NH2+]C[C@@H](CO)Cc2cccc(Br)c2)CC1 ZINC000277130092 655304781 /nfs/dbraw/zinc/30/47/81/655304781.db2.gz OJTGAVYLPOHPHB-ZLPCBKJTSA-N 1 0 383.330 2.637 20 0 GFADRO C[C@H]([NH3+])CCNC(=O)c1ccc(Br)cc1I ZINC000178630114 655306598 /nfs/dbraw/zinc/30/65/98/655306598.db2.gz RAXHHDBBVRZXJR-ZETCQYMHSA-N 1 0 397.054 2.521 20 0 GFADRO O=C(c1cccc(C[NH+]2CCCC2)c1)N1CCn2c(Br)cnc2C1 ZINC000277311601 655312257 /nfs/dbraw/zinc/31/22/57/655312257.db2.gz CYEGCWBZHVIBAS-UHFFFAOYSA-N 1 0 389.297 2.897 20 0 GFADRO C[C@H]([C@H](C)[N@H+](C)CCC1CCN(C(=O)OC(C)(C)C)CC1)S(C)(=O)=O ZINC000179683230 655316044 /nfs/dbraw/zinc/31/60/44/655316044.db2.gz OIVOBBWIGJRZTF-LSDHHAIUSA-N 1 0 376.563 2.777 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C(=O)NC[C@H]1CCC[N@H+]1C ZINC000119885884 655319606 /nfs/dbraw/zinc/31/96/06/655319606.db2.gz CCPVBDSOKGIHQQ-OAHLLOKOSA-N 1 0 377.286 2.767 20 0 GFADRO COCCN(Cc1cc(Br)cc(C(F)(F)F)c1)[C@@H](C)C(N)=O ZINC000119931710 655321806 /nfs/dbraw/zinc/32/18/06/655321806.db2.gz CPCNSKOLTQVUKD-VIFPVBQESA-N 1 0 383.208 2.790 20 0 GFADRO CC(C)S(=O)(=O)CCC[NH2+][C@H]1CCCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000120059594 655326134 /nfs/dbraw/zinc/32/61/34/655326134.db2.gz COLNPFLGCVNSFL-CVEARBPZSA-N 1 0 376.563 2.873 20 0 GFADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)Cc1ccc(F)cc1Br ZINC000278909736 655326936 /nfs/dbraw/zinc/32/69/36/655326936.db2.gz SRZGSMWJYQCMJV-ZDUSSCGKSA-N 1 0 399.304 2.842 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)NCCCCn2cc(Br)cn2)C1 ZINC000279423587 655327774 /nfs/dbraw/zinc/32/77/74/655327774.db2.gz CYKKOPGPNKNLRO-LSDHHAIUSA-N 1 0 386.338 2.598 20 0 GFADRO CC1CC[NH+](CCNC(=O)Cc2ccccc2I)CC1 ZINC000120254844 655332696 /nfs/dbraw/zinc/33/26/96/655332696.db2.gz HIUYCJAYLDIDPI-UHFFFAOYSA-N 1 0 386.277 2.682 20 0 GFADRO COC(=O)CC1([NH2+]CC(=O)Nc2c(Cl)cccc2Cl)CCOCC1 ZINC000120424666 655335670 /nfs/dbraw/zinc/33/56/70/655335670.db2.gz QIGYLCXJBITAAY-UHFFFAOYSA-N 1 0 375.252 2.634 20 0 GFADRO C[NH+](C)CCC1CCN(S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000181387190 655336879 /nfs/dbraw/zinc/33/68/79/655336879.db2.gz ITHMWNBOUZNWFR-UHFFFAOYSA-N 1 0 375.878 2.601 20 0 GFADRO CC(C)CO[C@H]1C[C@@H]([NH2+]C2CCN(S(=O)(=O)C(F)(F)F)CC2)C1(C)C ZINC000181884305 655340937 /nfs/dbraw/zinc/34/09/37/655340937.db2.gz OZEQSAFKZZWBBE-KGLIPLIRSA-N 1 0 386.480 2.730 20 0 GFADRO CC(C)CO[C@H]1C[C@H]([NH2+]C2CCN(S(=O)(=O)C(F)(F)F)CC2)C1(C)C ZINC000181884267 655341014 /nfs/dbraw/zinc/34/10/14/655341014.db2.gz OZEQSAFKZZWBBE-KBPBESRZSA-N 1 0 386.480 2.730 20 0 GFADRO Cc1ccc(-c2csc(NC(=O)C(=O)NCC3([NH+](C)C)CCC3)n2)s1 ZINC000289279535 655345410 /nfs/dbraw/zinc/34/54/10/655345410.db2.gz SNKCZLXAXOVCNG-UHFFFAOYSA-N 1 0 378.523 2.719 20 0 GFADRO Cc1c2cc(Br)ccc2oc1C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000289364685 655347644 /nfs/dbraw/zinc/34/76/44/655347644.db2.gz ZPSPXQWGJJTGEY-AWEZNQCLSA-N 1 0 392.297 2.623 20 0 GFADRO C[NH2+]CCCNC(=O)c1cnn(-c2ncccc2Cl)c1C(F)(F)Cl ZINC000121206846 655348493 /nfs/dbraw/zinc/34/84/93/655348493.db2.gz JQDBZUIDGIBSFG-UHFFFAOYSA-N 1 0 378.210 2.548 20 0 GFADRO Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C ZINC000291061680 655350008 /nfs/dbraw/zinc/35/00/08/655350008.db2.gz NECVQLCGJHHIEH-JQWIXIFHSA-N 1 0 378.826 2.949 20 0 GFADRO COC(=O)c1cc(C[NH2+]CCCCn2cc(Br)cn2)n(C)c1C ZINC000291095083 655351036 /nfs/dbraw/zinc/35/10/36/655351036.db2.gz YQORTCXVIFZOIH-UHFFFAOYSA-N 1 0 383.290 2.649 20 0 GFADRO C[N@@H+]1CCC[C@]2(CCN(S(=O)(=O)c3ccc(F)cc3C(F)(F)F)C2)C1 ZINC000292892255 655356263 /nfs/dbraw/zinc/35/62/63/655356263.db2.gz VGLPMOLUBRJFLS-HNNXBMFYSA-N 1 0 380.407 2.951 20 0 GFADRO C[C@H](CNC(=O)N[C@@H]1CCCc2sc(Cl)cc21)C[NH+]1CCN(C)CC1 ZINC000292911654 655356894 /nfs/dbraw/zinc/35/68/94/655356894.db2.gz HIPGWLCXXNKWHN-UKRRQHHQSA-N 1 0 384.977 2.962 20 0 GFADRO COc1ccc(C(=O)N2CC[N@@H+](C3CCC3)C[C@H](C)C2)nc1Br ZINC000293764212 655361610 /nfs/dbraw/zinc/36/16/10/655361610.db2.gz UQGDWBGJTFMTLO-LBPRGKRZSA-N 1 0 382.302 2.799 20 0 GFADRO Cc1nc(SC(F)(F)F)sc1CC(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000296296531 655368430 /nfs/dbraw/zinc/36/84/30/655368430.db2.gz IFVAYLNLHACZON-NSHDSACASA-N 1 0 397.488 2.569 20 0 GFADRO CCN(C)C(=O)[C@@H]([NH2+]CC(=O)Nc1ccc(C)cc1Br)C(C)C ZINC000296296908 655368445 /nfs/dbraw/zinc/36/84/45/655368445.db2.gz NKNOMTLHVIGDQB-INIZCTEOSA-N 1 0 384.318 2.789 20 0 GFADRO O=C(Nc1nc2cc(Br)ccn2n1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000297323105 655370084 /nfs/dbraw/zinc/37/00/84/655370084.db2.gz LSHLCQCPWCBTDT-ZDUSSCGKSA-N 1 0 393.289 2.584 20 0 GFADRO CCC[C@H](C[NH2+][C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1)OC ZINC000297409226 655370507 /nfs/dbraw/zinc/37/05/07/655370507.db2.gz TVBIYDNDSIRKDD-CMPLNLGQSA-N 1 0 379.320 2.562 20 0 GFADRO C[C@@H]1C[C@H](N(C)C(=O)C(=O)N(C)Cc2c(Cl)cccc2Cl)CC[N@@H+]1C ZINC000298127214 655372648 /nfs/dbraw/zinc/37/26/48/655372648.db2.gz XBHSKRUZWUXVOH-CHWSQXEVSA-N 1 0 386.323 2.893 20 0 GFADRO CC(C)C[C@H](CNC(=O)OC(C)(C)C)[NH2+][C@@H](C)C1CCS(=O)(=O)CC1 ZINC000187191958 655372975 /nfs/dbraw/zinc/37/29/75/655372975.db2.gz WIGUACKZAHDFAA-GOEBONIOSA-N 1 0 376.563 2.729 20 0 GFADRO CCC[N@@H+]1CC[C@@H](CNC(=O)N(C)C[C@H](O)c2cccc(Br)c2)C1 ZINC000299090625 655374438 /nfs/dbraw/zinc/37/44/38/655374438.db2.gz WDAKBBCWVUOIJI-YOEHRIQHSA-N 1 0 398.345 2.856 20 0 GFADRO Cn1ncc(NC[C@]2(C)CC[N@H+](Cc3ccccc3)C2)c(Br)c1=O ZINC000310317919 655379087 /nfs/dbraw/zinc/37/90/87/655379087.db2.gz VSCHNBCVAQCBJC-SFHVURJKSA-N 1 0 391.313 2.867 20 0 GFADRO FC(F)(F)c1nn(CN2CCC(C[NH+]3CCOCC3)CC2)c(=S)s1 ZINC000188640901 655381240 /nfs/dbraw/zinc/38/12/40/655381240.db2.gz WWASZTSPGMGKLM-UHFFFAOYSA-N 1 0 382.477 2.695 20 0 GFADRO C[C@H](CNC(=O)c1cc([N+](=O)[O-])ncc1Br)C[NH+]1CCCCC1 ZINC000323544196 655383687 /nfs/dbraw/zinc/38/36/87/655383687.db2.gz QPJKSCIKMYLKGQ-LLVKDONJSA-N 1 0 385.262 2.604 20 0 GFADRO COc1ccc([C@H]2NC(=O)N(C[C@H](C)[N@H+](C)C3CC3)C2=O)cc1Br ZINC000349366781 655389503 /nfs/dbraw/zinc/38/95/03/655389503.db2.gz NGRZACMMYBPARR-ZUZCIYMTSA-N 1 0 396.285 2.533 20 0 GFADRO C[C@@H](C(=O)Nc1ccc(Br)cc1)N1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000365894410 655396016 /nfs/dbraw/zinc/39/60/16/655396016.db2.gz SLMIQVHHXFJKRF-XJKSGUPXSA-N 1 0 398.370 2.899 20 0 GFADRO C[C@H](C(=O)Nc1ccc(Br)cc1)N1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000365894409 655396022 /nfs/dbraw/zinc/39/60/22/655396022.db2.gz SLMIQVHHXFJKRF-CZUORRHYSA-N 1 0 398.370 2.899 20 0 GFADRO Cc1nc(C)c(S(=O)(=O)N2C[C@@H]3C[N@@H+](C)[C@@H](c4ccccc4)[C@@H]3C2)s1 ZINC000365898488 655396076 /nfs/dbraw/zinc/39/60/76/655396076.db2.gz ZTCQBRNOXRFQET-BBWFWOEESA-N 1 0 377.535 2.683 20 0 GFADRO Cc1c([C@@H](C)[NH2+]C2CCN(S(=O)(=O)C(F)(F)F)CC2)cnn1C(C)C ZINC000191337469 655397908 /nfs/dbraw/zinc/39/79/08/655397908.db2.gz ZCMRCWHXOALVHM-LLVKDONJSA-N 1 0 382.452 2.737 20 0 GFADRO O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)C1(c2ccc(Br)cc2)CC1 ZINC000366194884 655399624 /nfs/dbraw/zinc/39/96/24/655399624.db2.gz JHNWGLBBODSIKY-QGZVFWFLSA-N 1 0 393.325 2.850 20 0 GFADRO O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)C1(c2cccc(Br)c2)CC1 ZINC000366195535 655399733 /nfs/dbraw/zinc/39/97/33/655399733.db2.gz MPSFPXRVQHPVMB-QGZVFWFLSA-N 1 0 393.325 2.850 20 0 GFADRO Cn1nccc1CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(Br)cc1 ZINC000374764175 655401979 /nfs/dbraw/zinc/40/19/79/655401979.db2.gz HFXWVTSWAOSIEX-INIZCTEOSA-N 1 0 377.286 2.828 20 0 GFADRO CC[NH+](CC)Cc1ccccc1CNC(=O)c1cc(Br)nn1C ZINC000192045239 655402194 /nfs/dbraw/zinc/40/21/94/655402194.db2.gz MREPSDYOALCONT-UHFFFAOYSA-N 1 0 379.302 2.954 20 0 GFADRO Brc1cnc(CN2CC[C@@]3(CCC[NH2+]3)C2)c(Br)c1 ZINC000415134079 655403531 /nfs/dbraw/zinc/40/35/31/655403531.db2.gz DLBBWNKJDWFBPY-ZDUSSCGKSA-N 1 0 375.108 2.935 20 0 GFADRO C[NH2+]CCNC(=O)N(Cc1ccc(C)cc1Br)C[C@H]1CCCO1 ZINC000418324778 655405396 /nfs/dbraw/zinc/40/53/96/655405396.db2.gz IDCZVIWDYCMPJW-OAHLLOKOSA-N 1 0 384.318 2.668 20 0 GFADRO O=C(NCC[C@@H]1CCC[NH2+]C1)N1CCN(c2cccc(Br)c2)CC1 ZINC000418342589 655405548 /nfs/dbraw/zinc/40/55/48/655405548.db2.gz IWKKFCRBWSWZKX-HNNXBMFYSA-N 1 0 395.345 2.670 20 0 GFADRO O=C(NCCC[NH2+]Cc1cccnc1)N1CCSC[C@H]1c1nccs1 ZINC000418330522 655405551 /nfs/dbraw/zinc/40/55/51/655405551.db2.gz QDVJZAYMMJKZKQ-HNNXBMFYSA-N 1 0 377.539 2.518 20 0 GFADRO C[C@H](NC(=O)C(=O)N1CC[C@@]2(CCC[NH2+]2)C1)c1cc(F)c(Cl)cc1Cl ZINC000418827496 655405858 /nfs/dbraw/zinc/40/58/58/655405858.db2.gz CBPPLQGLNJVPQZ-BTDLBPIBSA-N 1 0 388.270 2.664 20 0 GFADRO CCNC(=O)C(C)(C)[NH2+]CCCOc1cccc(I)c1 ZINC000453598516 655411679 /nfs/dbraw/zinc/41/16/79/655411679.db2.gz AKICSGIHFQVNOP-UHFFFAOYSA-N 1 0 390.265 2.564 20 0 GFADRO COc1cc(C[NH2+][C@H](C)C2(S(C)(=O)=O)CC2)ccc1OCC(F)(F)F ZINC000512895751 655418055 /nfs/dbraw/zinc/41/80/55/655418055.db2.gz QWFDISBMJZGQJG-LLVKDONJSA-N 1 0 381.416 2.692 20 0 GFADRO CS(=O)(=O)N[C@H]1CCCC[C@H]1C[NH2+]Cc1cc(Br)cs1 ZINC000512898927 655418167 /nfs/dbraw/zinc/41/81/67/655418167.db2.gz LXPLANAZTFLQAO-GWCFXTLKSA-N 1 0 381.361 2.708 20 0 GFADRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)c3ccc(-n4cc(Br)cn4)cc3)C[C@H]21 ZINC000517922068 655419250 /nfs/dbraw/zinc/41/92/50/655419250.db2.gz DTJKZWAFDWPTBZ-IAOVAPTHSA-N 1 0 389.297 2.834 20 0 GFADRO COC(=O)c1c2cnn(C[N@H+]3CC[C@H](OC)[C@@H](C)C3)c2ccc1Br ZINC000840127888 661137533 /nfs/dbraw/zinc/13/75/33/661137533.db2.gz ZLTHMRNFEGMGFA-NHYWBVRUSA-N 1 0 396.285 2.900 20 0 GFADRO C[C@@H](N[C@@H]1CC[NH2+]C12CCC2)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000530214770 655420454 /nfs/dbraw/zinc/42/04/54/655420454.db2.gz CQVKAJJOZGVFJF-YMTOWFKASA-N 1 0 378.325 2.576 20 0 GFADRO C[C@@H](CNC(=O)c1ccc(I)c(O)c1)[NH+]1CCCCC1 ZINC000230889659 655423575 /nfs/dbraw/zinc/42/35/75/655423575.db2.gz VTMJZIKJBLMTKI-NSHDSACASA-N 1 0 388.249 2.601 20 0 GFADRO C#CCOc1ccc(C[NH2+]CCNC(=O)c2ccc(Br)cc2)cc1 ZINC000236608511 655424624 /nfs/dbraw/zinc/42/46/24/655424624.db2.gz JAKIDUGISJXITI-UHFFFAOYSA-N 1 0 387.277 2.981 20 0 GFADRO CCOc1cc(C[NH2+][C@H](C)CN2CCOCC2)cc(Br)c1OC ZINC000237010471 655425407 /nfs/dbraw/zinc/42/54/07/655425407.db2.gz WZJAWACTBGNGPS-CYBMUJFWSA-N 1 0 387.318 2.667 20 0 GFADRO C[NH2+]CC1CCN(C(=O)c2cc(=O)[nH]c3ccc(Br)cc32)CC1 ZINC000237070010 655425492 /nfs/dbraw/zinc/42/54/92/655425492.db2.gz ADPDKCAERYAURZ-UHFFFAOYSA-N 1 0 378.270 2.775 20 0 GFADRO COC[C@H](C)OC[C@@H](O)C[NH2+]CC1(c2ccccc2Br)CCC1 ZINC000574151617 655425615 /nfs/dbraw/zinc/42/56/15/655425615.db2.gz PMCVPSSTBGJSKZ-GJZGRUSLSA-N 1 0 386.330 2.873 20 0 GFADRO CO[C@H]1CCN(C(=O)Nc2ccc(Br)c(C3CC3)n2)[C@H](C[NH3+])C1 ZINC000574294115 655428282 /nfs/dbraw/zinc/42/82/82/655428282.db2.gz NOGCVXYZYRBQKT-RYUDHWBXSA-N 1 0 383.290 2.692 20 0 GFADRO CN(C(=O)[C@@H]1CC1(Cl)Cl)[C@@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000245716904 655428295 /nfs/dbraw/zinc/42/82/95/655428295.db2.gz OTDIBGHBRUBQHJ-ARFHVFGLSA-N 1 0 376.372 2.976 20 0 GFADRO COC(=O)CC[N@@H+]1CCN(C[C@@H](O)c2ccc(Cl)cc2Cl)[C@H](C)C1 ZINC000245845852 655428445 /nfs/dbraw/zinc/42/84/45/655428445.db2.gz DSWPEHKTULCHGR-MLGOLLRUSA-N 1 0 375.296 2.596 20 0 GFADRO COc1ccc([C@@H](C)NCc2nnc(C3CC[NH2+]CC3)[nH]2)cc1Br ZINC000574802763 655431037 /nfs/dbraw/zinc/43/10/37/655431037.db2.gz GGGYJOXVDLTTGU-LLVKDONJSA-N 1 0 394.317 2.894 20 0 GFADRO C[C@H]1CN(C(=O)C[C@@H](O)c2cc(Cl)cc(Cl)c2)CC[N@@H+]1CC(C)(C)O ZINC000249296708 655433977 /nfs/dbraw/zinc/43/39/77/655433977.db2.gz BKGZLTOZGUMLCJ-BLLLJJGKSA-N 1 0 389.323 2.721 20 0 GFADRO O[C@H](C[NH2+]CC[C@H]1CCOC1)COc1ccc(Cl)cc1Br ZINC000575054105 655434778 /nfs/dbraw/zinc/43/47/78/655434778.db2.gz LUHZXNJGBJTUET-WCQYABFASA-N 1 0 378.694 2.858 20 0 GFADRO CCC[C@@H]1C[NH2+]CCN1C(=O)c1ccn(-c2cccc(Br)c2)n1 ZINC000575801759 655437341 /nfs/dbraw/zinc/43/73/41/655437341.db2.gz IMHVNAZOXLNUSB-OAHLLOKOSA-N 1 0 377.286 2.849 20 0 GFADRO COc1cc(OC)c(S(=O)(=O)N[C@@]2(C[NH3+])CCCC[C@H]2C)cc1Cl ZINC000575802248 655437343 /nfs/dbraw/zinc/43/73/43/655437343.db2.gz GGDZWDRQHQYBEW-BDJLRTHQSA-N 1 0 376.906 2.543 20 0 GFADRO O=C1c2ccccc2C(=O)N1C[C@@H](O)C[NH2+][C@@H]1CCc2sc(Cl)cc21 ZINC000575862509 655438615 /nfs/dbraw/zinc/43/86/15/655438615.db2.gz AFZIGJQNMJZCIZ-IINYFYTJSA-N 1 0 376.865 2.636 20 0 GFADRO CN1CCN(Cc2csc(-c3cccc(Br)c3)n2)[C@H](C[NH3+])C1 ZINC000576107886 655443498 /nfs/dbraw/zinc/44/34/98/655443498.db2.gz CKNRRXYXABGFKX-OAHLLOKOSA-N 1 0 381.343 2.647 20 0 GFADRO CC(C)[N@@H+]1CC[C@H](N(C)Cn2nc3ccc(Br)cn3c2=S)C1 ZINC000840152798 661141234 /nfs/dbraw/zinc/14/12/34/661141234.db2.gz JGYKYNMWRYYHNP-ZDUSSCGKSA-N 1 0 384.347 3.000 20 0 GFADRO O=C(C[C@H]1COCC[NH2+]1)NCC1(c2ccc(Br)cc2)CCCC1 ZINC000262542400 655446042 /nfs/dbraw/zinc/44/60/42/655446042.db2.gz NKRVROUUULSFCR-INIZCTEOSA-N 1 0 381.314 2.756 20 0 GFADRO C[NH2+][C@@H]1CCCN(S(=O)(=O)Cc2cc(Cl)ccc2Br)C1 ZINC000576464237 655447938 /nfs/dbraw/zinc/44/79/38/655447938.db2.gz CYAHUBYKGFOBLM-GFCCVEGCSA-N 1 0 381.723 2.616 20 0 GFADRO CSC1(CNC(=O)CCc2nnc(-c3ccsc3)o2)CC[NH+](C)CC1 ZINC000576913365 655454573 /nfs/dbraw/zinc/45/45/73/655454573.db2.gz SUMVXWAZGUPNGG-UHFFFAOYSA-N 1 0 380.539 2.674 20 0 GFADRO COCC[NH2+]C1CCN(C(=O)c2cc(F)c(F)cc2Br)CC1 ZINC000576953404 655455211 /nfs/dbraw/zinc/45/52/11/655455211.db2.gz IZGRNMOCQCSFRR-UHFFFAOYSA-N 1 0 377.229 2.568 20 0 GFADRO Cc1ccc(I)cc1NC(=O)c1cc([C@@H]2CC[NH2+]C2)[nH]n1 ZINC000577074201 655457149 /nfs/dbraw/zinc/45/71/49/655457149.db2.gz LVMLWAFKIRIJCN-SNVBAGLBSA-N 1 0 396.232 2.652 20 0 GFADRO NC(=O)NC(=O)CC[NH2+]CC1(c2cccc(Br)c2)CCCCC1 ZINC000577364939 655457706 /nfs/dbraw/zinc/45/77/06/655457706.db2.gz JKTDNTSOKQGIER-UHFFFAOYSA-N 1 0 382.302 2.826 20 0 GFADRO CSC1(CNC(=O)CCc2nc(-c3cccs3)no2)CC[NH+](C)CC1 ZINC000577430639 655459354 /nfs/dbraw/zinc/45/93/54/655459354.db2.gz IQJSJVRKIFQGTK-UHFFFAOYSA-N 1 0 380.539 2.674 20 0 GFADRO CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000577486492 655460854 /nfs/dbraw/zinc/46/08/54/655460854.db2.gz ZIQKYGCUHSBREX-FAYQHZLMSA-N 1 0 396.329 2.776 20 0 GFADRO CC(C)[NH+]1CCC(O)(CNC(=O)[C@H]2CCc3cc(Br)ccc32)CC1 ZINC000577636311 655463407 /nfs/dbraw/zinc/46/34/07/655463407.db2.gz PNTVZWMKPDOGPP-KRWDZBQOSA-N 1 0 395.341 2.830 20 0 GFADRO COCC[N@@H+]1CC[C@H](NC(=O)Nc2cc(F)cc(Br)c2F)C1 ZINC000577693046 655464770 /nfs/dbraw/zinc/46/47/70/655464770.db2.gz FIILXPBYHWGHMH-JTQLQIEISA-N 1 0 378.217 2.570 20 0 GFADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)c1cc2cc(Br)ccc2o1 ZINC000264485035 655464790 /nfs/dbraw/zinc/46/47/90/655464790.db2.gz XGVRXJKRQHALKO-GFCCVEGCSA-N 1 0 380.286 2.561 20 0 GFADRO COCC[N@@H+]1CC[C@@H](NC(=O)Nc2cc(F)cc(Br)c2F)C1 ZINC000577693065 655464872 /nfs/dbraw/zinc/46/48/72/655464872.db2.gz FIILXPBYHWGHMH-SNVBAGLBSA-N 1 0 378.217 2.570 20 0 GFADRO CCCC[N@H+](C)C[C@H](C)NS(=O)(=O)c1ccc(OC)cc1Br ZINC000577794828 655467338 /nfs/dbraw/zinc/46/73/38/655467338.db2.gz JZUGLWKTRHPLNY-LBPRGKRZSA-N 1 0 393.347 2.856 20 0 GFADRO CC(C)[N@H+](C[C@@H]1CCC(=O)N1)Cn1ccc(=O)c2cccc(Br)c21 ZINC000840186731 661145140 /nfs/dbraw/zinc/14/51/40/661145140.db2.gz DCFQKFPWTCUZLO-ZDUSSCGKSA-N 1 0 392.297 2.711 20 0 GFADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)C1(c2cccc(Br)c2)CCCC1 ZINC000264741060 655469378 /nfs/dbraw/zinc/46/93/78/655469378.db2.gz KPKUJXPMWTXHST-KRWDZBQOSA-N 1 0 394.357 2.623 20 0 GFADRO C[C@@H](Sc1cc(Cl)ccc1Cl)C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000264753583 655469727 /nfs/dbraw/zinc/46/97/27/655469727.db2.gz SVJUBRJOJJBTHO-YPMHNXCESA-N 1 0 376.353 2.836 20 0 GFADRO CN1CCN(C(=O)c2csc(-c3ccc(Cl)c(Cl)c3)n2)[C@@H](C[NH3+])C1 ZINC000578010951 655471080 /nfs/dbraw/zinc/47/10/80/655471080.db2.gz IVLRUZQJQFIJPI-NSHDSACASA-N 1 0 385.320 2.832 20 0 GFADRO [NH3+]CCC1CCN(C(=O)C(=O)Nc2ccc(Cl)cc2Br)CC1 ZINC000578020218 655471360 /nfs/dbraw/zinc/47/13/60/655471360.db2.gz YXOMYLAUUSAXOX-UHFFFAOYSA-N 1 0 388.693 2.628 20 0 GFADRO CC[N@H+](C)C[C@H](O)Cn1nc(-c2ccc(Br)cc2Cl)nc1C ZINC000578026335 655471610 /nfs/dbraw/zinc/47/16/10/655471610.db2.gz PSBSGYCEPCPNLW-LBPRGKRZSA-N 1 0 387.709 2.982 20 0 GFADRO C[NH2+][C@@H](C)Cc1noc(-c2ncc(Br)cc2Br)n1 ZINC000578131714 655473223 /nfs/dbraw/zinc/47/32/23/655473223.db2.gz QEFWPIRIUIOFLN-LURJTMIESA-N 1 0 376.052 2.807 20 0 GFADRO C[C@H](Cc1ccc(F)c(Br)c1)NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC000578547302 655481584 /nfs/dbraw/zinc/48/15/84/655481584.db2.gz ZMEZEANVFIINRT-GFCCVEGCSA-N 1 0 397.292 2.707 20 0 GFADRO C[C@@]1(NC(=O)NCc2n[nH]cc2Br)CC[N@H+](Cc2ccccc2)C1 ZINC000578776986 655486748 /nfs/dbraw/zinc/48/67/48/655486748.db2.gz WJWKMJKWUPPMBM-QGZVFWFLSA-N 1 0 392.301 2.636 20 0 GFADRO C[NH+](C)C/C=C/C(=O)N1CCC(C(=O)Nc2cccc(Br)c2)CC1 ZINC000265626332 655487304 /nfs/dbraw/zinc/48/73/04/655487304.db2.gz IQRHEQOTPMRGLY-QPJJXVBHSA-N 1 0 394.313 2.744 20 0 GFADRO Cc1cc(CCC(=O)N2C[C@@H](C[NH3+])C3(C2)CCOCC3)ccc1Br ZINC000578865838 655488169 /nfs/dbraw/zinc/48/81/69/655488169.db2.gz AXDSJAHIOVCZOO-MRXNPFEDSA-N 1 0 395.341 2.904 20 0 GFADRO CC[NH+]1CCC(CNS(=O)(=O)c2ccc(F)c(Br)c2)CC1 ZINC000578953996 655489905 /nfs/dbraw/zinc/48/99/05/655489905.db2.gz PHPSUWKPOHRUEE-UHFFFAOYSA-N 1 0 379.295 2.598 20 0 GFADRO COc1ccc(C[NH2+][C@H]2CCC[C@H](S(C)(=O)=O)C2)cc1Br ZINC000265876110 655492441 /nfs/dbraw/zinc/49/24/41/655492441.db2.gz NJOSCDUJGWHTJQ-STQMWFEESA-N 1 0 376.316 2.903 20 0 GFADRO CS[C@@H](CO)[C@@H](C)NC(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000265961207 655494130 /nfs/dbraw/zinc/49/41/30/655494130.db2.gz RGOKJZUMMGTWRJ-PBHICJAKSA-N 1 0 383.583 2.512 20 0 GFADRO O=C(c1c[nH]c(=O)c(Br)c1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000266012977 655495024 /nfs/dbraw/zinc/49/50/24/655495024.db2.gz IEDVNNUWEAXQQR-UHFFFAOYSA-N 1 0 390.281 2.898 20 0 GFADRO O[C@H](C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2)COc1cccc(Br)c1 ZINC000579196170 655495942 /nfs/dbraw/zinc/49/59/42/655495942.db2.gz HYZBMAWGNFCGOI-MWQQHZPXSA-N 1 0 382.298 2.736 20 0 GFADRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N(C)Cc1c(Cl)cccc1Cl ZINC000579405727 655498999 /nfs/dbraw/zinc/49/89/99/655498999.db2.gz LTJNXGFUMJBSFS-BZNIZROVSA-N 1 0 384.307 2.551 20 0 GFADRO CCC[N@H+](CC)C[C@H](C)NC(=O)Nc1ccc(NS(C)(=O)=O)c(Cl)c1 ZINC000579412169 655499182 /nfs/dbraw/zinc/49/91/82/655499182.db2.gz KHROATQWFHRQKO-LBPRGKRZSA-N 1 0 390.937 2.953 20 0 GFADRO Cc1cc(Br)cc2c1[C@@H]([NH2+]CCNC(=O)c1cnccn1)CC2 ZINC000579425659 655499416 /nfs/dbraw/zinc/49/94/16/655499416.db2.gz DYVZPWZVKNUJHU-AWEZNQCLSA-N 1 0 375.270 2.554 20 0 GFADRO CN(C[C@H](O)c1cccc(Br)c1)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000840256755 661150412 /nfs/dbraw/zinc/15/04/12/661150412.db2.gz WTGDLMXRPBEMJW-BBWFWOEESA-N 1 0 396.329 2.751 20 0 GFADRO Cc1ccc(I)c(C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c1 ZINC000579700746 655502640 /nfs/dbraw/zinc/50/26/40/655502640.db2.gz CFHOMULMISMOLO-WHOFXGATSA-N 1 0 384.261 2.799 20 0 GFADRO O[C@H](C[NH2+]C[C@@H](O)CCc1ccccc1)COc1cccc(Br)c1 ZINC000579958765 655506340 /nfs/dbraw/zinc/50/63/40/655506340.db2.gz RYWWJFGECKZNQS-ZWKOTPCHSA-N 1 0 394.309 2.772 20 0 GFADRO [NH3+][C@H]1CCCO[C@@H]1C1CCN(CC(=O)Nc2ccccc2Br)CC1 ZINC000580174629 655509332 /nfs/dbraw/zinc/50/93/32/655509332.db2.gz CHEGIKVNZCYPQD-MAUKXSAKSA-N 1 0 396.329 2.606 20 0 GFADRO NC(=O)NC(=O)CC[NH2+]CC1(c2ccccc2Br)CCCCC1 ZINC000580183622 655509467 /nfs/dbraw/zinc/50/94/67/655509467.db2.gz KUJUVEKELCKPGM-UHFFFAOYSA-N 1 0 382.302 2.826 20 0 GFADRO Cn1ccnc1[C@@H]([NH2+]C[C@@H](O)COc1cccc(Br)c1)C1CC1 ZINC000580316560 655510894 /nfs/dbraw/zinc/51/08/94/655510894.db2.gz LRHIDBFNULPNHJ-ZBFHGGJFSA-N 1 0 380.286 2.663 20 0 GFADRO COc1cc(Cl)c(S(=O)(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)cc1Cl ZINC000580325902 655511040 /nfs/dbraw/zinc/51/10/40/655511040.db2.gz BXMJDENXGUWMBW-HNNXBMFYSA-N 1 0 379.309 2.766 20 0 GFADRO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)c1cccc(F)c1I ZINC000721713127 655525149 /nfs/dbraw/zinc/52/51/49/655525149.db2.gz MLYYGOIMAZBEMG-STQMWFEESA-N 1 0 388.224 2.739 20 0 GFADRO CN1C[C@H](CC[NH2+]Cc2ncc(Br)cc2Br)CC1=O ZINC000723535311 655525587 /nfs/dbraw/zinc/52/55/87/655525587.db2.gz FVBJXZHSOBLPHH-SECBINFHSA-N 1 0 391.107 2.565 20 0 GFADRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NS(=O)(=O)Cc2ccc(Cl)nc2)C1 ZINC000725827119 655527421 /nfs/dbraw/zinc/52/74/21/655527421.db2.gz MIDRHASNNFWSRX-RHSMWYFYSA-N 1 0 379.913 2.990 20 0 GFADRO C[NH+](C)CCN1CCN(C(=S)NCCc2ccc(Cl)cc2Cl)CC1 ZINC000726449236 655534497 /nfs/dbraw/zinc/53/44/97/655534497.db2.gz NBVWYVVDPPQQPH-UHFFFAOYSA-N 1 0 389.396 2.590 20 0 GFADRO C[NH+]1CCN(CCCNC(=S)NCCc2ccc(Cl)cc2Cl)CC1 ZINC000726446896 655534508 /nfs/dbraw/zinc/53/45/08/655534508.db2.gz NCCVZYAFWLFIHB-UHFFFAOYSA-N 1 0 389.396 2.638 20 0 GFADRO Cc1c(Br)cccc1NC(=O)C(=O)NC[C@@H](C)[NH+]1CCCCC1 ZINC000727038421 655540897 /nfs/dbraw/zinc/54/08/97/655540897.db2.gz POPIFLPHHYMCJH-GFCCVEGCSA-N 1 0 382.302 2.687 20 0 GFADRO O=S(=O)(/C=C\c1cccc(Br)c1)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000727453318 655545609 /nfs/dbraw/zinc/54/56/09/655545609.db2.gz TZJZETSKLZYHSJ-OXSAEWAQSA-N 1 0 385.327 2.966 20 0 GFADRO CC(C)[N@@H+]1CCCN(CN2C(=O)N[C@@](C)(c3ccc(Cl)s3)C2=O)CC1 ZINC000727823471 655549663 /nfs/dbraw/zinc/54/96/63/655549663.db2.gz JZKWQUGCNONSGZ-KRWDZBQOSA-N 1 0 384.933 2.542 20 0 GFADRO O=C(CCCC[NH+]1CCCC1)NCC(=O)Nc1ccc(Br)cc1 ZINC000729325982 655563996 /nfs/dbraw/zinc/56/39/96/655563996.db2.gz DEHLOABSNMLARV-UHFFFAOYSA-N 1 0 382.302 2.770 20 0 GFADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)N[C@@H]1CCc2c1cccc2Br ZINC000729501137 655565537 /nfs/dbraw/zinc/56/55/37/655565537.db2.gz HIJKRHKYLBNIKD-PBFPGSCMSA-N 1 0 394.313 2.599 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1CC(N)=NOCC(=O)Nc1ccc(Br)cc1 ZINC000730100370 655571645 /nfs/dbraw/zinc/57/16/45/655571645.db2.gz XESHETUAXNXYOJ-GFCCVEGCSA-N 1 0 383.290 2.760 20 0 GFADRO C[C@H]1CCCC[N@@H+]1CC(N)=NOCC(=O)Nc1ccc(Br)cc1 ZINC000730100371 655571691 /nfs/dbraw/zinc/57/16/91/655571691.db2.gz XESHETUAXNXYOJ-LBPRGKRZSA-N 1 0 383.290 2.760 20 0 GFADRO C[C@H](CN1CC[NH+](C)CC1)NC(=S)NCCc1ccc(Cl)cc1Cl ZINC000730157562 655572136 /nfs/dbraw/zinc/57/21/36/655572136.db2.gz UVSWXUTUJUTMQV-CYBMUJFWSA-N 1 0 389.396 2.636 20 0 GFADRO CC[C@H](C)[N@H+](C)CCNS(=O)(=O)c1cc(Br)cc(F)c1OC ZINC000731446800 655583637 /nfs/dbraw/zinc/58/36/37/655583637.db2.gz LFVPDUCENOUDTE-JTQLQIEISA-N 1 0 397.310 2.605 20 0 GFADRO CN(C)C(=O)CC[NH+]1CCC(NC(=S)Nc2ccc(F)c(Cl)c2)CC1 ZINC000731489431 655583766 /nfs/dbraw/zinc/58/37/66/655583766.db2.gz AECHCLGUAVSSQM-UHFFFAOYSA-N 1 0 386.924 2.708 20 0 GFADRO C[NH+](C)CCNC(=S)Nc1cccc(CS(=O)(=O)c2ccccc2)c1 ZINC000731942610 655589798 /nfs/dbraw/zinc/58/97/98/655589798.db2.gz WPQKRFBUIDYKPN-UHFFFAOYSA-N 1 0 377.535 2.509 20 0 GFADRO O=S(=O)(NC1CC[NH+](C[C@@H]2CCCO2)CC1)c1cc(Cl)ccc1Cl ZINC000734243538 655628538 /nfs/dbraw/zinc/62/85/38/655628538.db2.gz LERWZHJTHRELMQ-AWEZNQCLSA-N 1 0 393.336 2.915 20 0 GFADRO C[N@@H+]1CCC[C@@H](N2CCN(C(=S)Nc3cccc(Br)c3)CC2)C1 ZINC000734310034 655629035 /nfs/dbraw/zinc/62/90/35/655629035.db2.gz UGQFEBHUVLTVEE-MRXNPFEDSA-N 1 0 397.386 2.858 20 0 GFADRO C[NH+](C)CC(C)(C)CNC(=S)NCc1nc(-c2ccc(Cl)cc2)no1 ZINC000734310547 655629104 /nfs/dbraw/zinc/62/91/04/655629104.db2.gz OPRCGYYTLROWTP-UHFFFAOYSA-N 1 0 381.933 2.942 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CNC(=S)NC[C@@H](O)c1c(Cl)cccc1Cl ZINC000740769859 655699048 /nfs/dbraw/zinc/69/90/48/655699048.db2.gz BLVJAQNWAKWRCQ-BXUZGUMPSA-N 1 0 376.353 2.975 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)CN2C(=S)N=NC2c2cccs2)C[C@@H]1C ZINC000740841487 655699700 /nfs/dbraw/zinc/69/97/00/655699700.db2.gz RNUDVZKOWODDHD-QWHCGFSZSA-N 1 0 379.555 2.627 20 0 GFADRO COc1ccc(S(=O)(=O)C(F)(F)F)cc1NC(=O)CCCC[NH+](C)C ZINC000741210968 655703669 /nfs/dbraw/zinc/70/36/69/655703669.db2.gz ZBNLQKXMYRRCRR-UHFFFAOYSA-N 1 0 382.404 2.659 20 0 GFADRO Cc1cc(S(=O)(=O)N2CC[C@H]([N@H+](C)Cc3ccccc3)C2)cnc1Cl ZINC000742334375 655716362 /nfs/dbraw/zinc/71/63/62/655716362.db2.gz OZJDSTJFFCUDEF-INIZCTEOSA-N 1 0 379.913 2.938 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)C(=O)COc2ccc(C=O)cc2Br)[C@@H](C)C1 ZINC000742704093 655720361 /nfs/dbraw/zinc/72/03/61/655720361.db2.gz JUKBZIBKPAIDGT-BBRMVZONSA-N 1 0 397.313 2.829 20 0 GFADRO CC[C@@H](CO)[NH+]1CCN(C(=S)NCCSc2ccc(Cl)cc2)CC1 ZINC000743019721 655724743 /nfs/dbraw/zinc/72/47/43/655724743.db2.gz ZHWFJKVZILEJSA-HNNXBMFYSA-N 1 0 388.002 2.695 20 0 GFADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=S)NCC(F)(F)F ZINC000743060572 655726016 /nfs/dbraw/zinc/72/60/16/655726016.db2.gz FKFCAJUCKNYIRN-UHFFFAOYSA-N 1 0 376.448 2.686 20 0 GFADRO CC[NH+](CC)[C@@H]1CCN(CN2C(=O)N[C@](C)(c3ccc(Cl)s3)C2=O)C1 ZINC000743395246 655728603 /nfs/dbraw/zinc/72/86/03/655728603.db2.gz SUGZDBLLQMWBCO-SJKOYZFVSA-N 1 0 384.933 2.542 20 0 GFADRO CC[NH+](CC)[C@H]1CCN(CN2C(=O)N[C@@](C)(c3ccc(Cl)s3)C2=O)C1 ZINC000743395244 655728611 /nfs/dbraw/zinc/72/86/11/655728611.db2.gz SUGZDBLLQMWBCO-SJCJKPOMSA-N 1 0 384.933 2.542 20 0 GFADRO O=S(=O)(CC[NH2+][C@@H]1CCC[C@H](c2ccc(Cl)cc2)C1)N1CCOCC1 ZINC000840728992 661179790 /nfs/dbraw/zinc/17/97/90/661179790.db2.gz YCOHLWZPSKWXQY-FUHWJXTLSA-N 1 0 386.945 2.618 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)C(=O)Nc2cccc(C3SCCS3)c2)CC[N@@H+]1C ZINC000743932911 655732918 /nfs/dbraw/zinc/73/29/18/655732918.db2.gz YKMISDYUQIIFNV-IUODEOHRSA-N 1 0 379.551 2.703 20 0 GFADRO C[C@H]1CCC[N@@H+]1CCNC(=O)C(=O)Nc1ccc(Br)c(Cl)c1 ZINC000746423504 655761265 /nfs/dbraw/zinc/76/12/65/655761265.db2.gz UHOKDEZUFXHUKL-JTQLQIEISA-N 1 0 388.693 2.642 20 0 GFADRO C[C@H](NC(=O)CN1CC[NH+](CCCCO)CC1)c1ccc(Cl)cc1Cl ZINC000746488276 655762338 /nfs/dbraw/zinc/76/23/38/655762338.db2.gz PLDWMYCODHDNJS-AWEZNQCLSA-N 1 0 388.339 2.561 20 0 GFADRO C[NH+](C)[C@]1(CNS(=O)(=O)c2ccc3nc(Cl)sc3c2)CCSC1 ZINC000746673115 655766218 /nfs/dbraw/zinc/76/62/18/655766218.db2.gz VSIZGZKNPFMLBK-AWEZNQCLSA-N 1 0 391.971 2.665 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2S(=O)(=O)/C=C/c1ccccc1Cl ZINC000746702114 655766721 /nfs/dbraw/zinc/76/67/21/655766721.db2.gz LOLDYIIGKWOFGX-KRGBEZJLSA-N 1 0 384.929 2.824 20 0 GFADRO Cc1ccc(O[C@H](C)C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c(Br)c1 ZINC000747230622 655774609 /nfs/dbraw/zinc/77/46/09/655774609.db2.gz WOJOHJOUWDBULO-KFWWJZLASA-N 1 0 397.313 2.504 20 0 GFADRO O=C(CCSc1ccccc1Br)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000747237589 655774797 /nfs/dbraw/zinc/77/47/97/655774797.db2.gz WBVXEKDLWRBKPR-KGLIPLIRSA-N 1 0 399.354 2.911 20 0 GFADRO C[NH+](C)CCn1cc(NC(=O)NC[C@H](O)c2c(Cl)cccc2Cl)cn1 ZINC000747557235 655780103 /nfs/dbraw/zinc/78/01/03/655780103.db2.gz MBUFNGZWCDQYKP-AWEZNQCLSA-N 1 0 386.283 2.607 20 0 GFADRO CCOC(=O)c1nn(C[N@H+](C)CCCOC)c2ccc(Br)cc21 ZINC000748258464 655789254 /nfs/dbraw/zinc/78/92/54/655789254.db2.gz PACYTYBNABECCH-UHFFFAOYSA-N 1 0 384.274 2.901 20 0 GFADRO C[NH+](C)[C@@]1(CNc2ccc(F)cc2S(=O)(=O)C(F)(F)F)CCSC1 ZINC000748282332 655789369 /nfs/dbraw/zinc/78/93/69/655789369.db2.gz LKCJDGMENQKWGB-CYBMUJFWSA-N 1 0 386.436 2.968 20 0 GFADRO COCC[N@@H+]1CC[C@@H](NC(=S)N[C@@H](C)c2ccc(Br)cc2)C1 ZINC000840724814 661178917 /nfs/dbraw/zinc/17/89/17/661178917.db2.gz BRQBFRWHPAHFFH-SWLSCSKDSA-N 1 0 386.359 2.695 20 0 GFADRO CCc1c(Cl)nc(CS(C)(=O)=O)nc1NCCC[NH+]1CCC(C)CC1 ZINC000749090947 655799748 /nfs/dbraw/zinc/79/97/48/655799748.db2.gz BDAGVAPIKZAPGL-UHFFFAOYSA-N 1 0 388.965 2.771 20 0 GFADRO Cc1cc(Br)ncc1NC(=O)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000749410052 655804583 /nfs/dbraw/zinc/80/45/83/655804583.db2.gz LSRAICWRNMGCCK-GOSISDBHSA-N 1 0 390.281 2.728 20 0 GFADRO O=C(Nc1ccc([S@](=O)C(F)(F)F)cc1)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000750623836 655815705 /nfs/dbraw/zinc/81/57/05/655815705.db2.gz FOKPBKMAZGZXPK-CANCMXDXSA-N 1 0 375.416 2.920 20 0 GFADRO O=C(Nc1ccc([S@](=O)C(F)(F)F)cc1)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000750623838 655815737 /nfs/dbraw/zinc/81/57/37/655815737.db2.gz FOKPBKMAZGZXPK-SHZVTRLKSA-N 1 0 375.416 2.920 20 0 GFADRO C[C@@H]1C[N@@H+](Cc2ccc(CNC(=S)NCC(F)(F)F)cc2)C[C@H](C)O1 ZINC000750991934 655819980 /nfs/dbraw/zinc/81/99/80/655819980.db2.gz VYEZDABMGOGJKR-BETUJISGSA-N 1 0 375.460 2.822 20 0 GFADRO Cc1cc(NC(=O)c2n[nH]c(C)c2Br)n(C2CC[NH+](C)CC2)n1 ZINC000751048088 655820803 /nfs/dbraw/zinc/82/08/03/655820803.db2.gz LQDGJESSSLBNOS-UHFFFAOYSA-N 1 0 381.278 2.505 20 0 GFADRO C[C@@H]1CC[N@H+](CN2C(=O)N[C@](C)(c3ccc(Br)cc3)C2=O)[C@H]1C ZINC000751942002 655836516 /nfs/dbraw/zinc/83/65/16/655836516.db2.gz OWIKYIAQUFIUMF-BWACUDIHSA-N 1 0 380.286 2.904 20 0 GFADRO CC(C)CNC(=O)C1CC[NH+](C[C@@H](O)c2ccccc2Br)CC1 ZINC000751959042 655836819 /nfs/dbraw/zinc/83/68/19/655836819.db2.gz ZASXHDLQPGPIMP-QGZVFWFLSA-N 1 0 383.330 2.967 20 0 GFADRO O=S(=O)(C(F)F)N1CCC(C[NH2+][C@H]2CCc3c2cc(F)cc3F)CC1 ZINC000752787817 655846716 /nfs/dbraw/zinc/84/67/16/655846716.db2.gz BRMWANCFCRRMEU-HNNXBMFYSA-N 1 0 380.407 2.806 20 0 GFADRO CN1CC[C@@H](NC(=S)NC2CC[NH+](C)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000754693169 655871525 /nfs/dbraw/zinc/87/15/25/655871525.db2.gz UAMUQXBEGOGFKJ-IAGOWNOFSA-N 1 0 384.952 2.783 20 0 GFADRO O=c1c(Br)nn(C[N@@H+]2CCC[C@@H]([C@@H]3CCOC3)C2)c2ccccc12 ZINC000755754363 655888475 /nfs/dbraw/zinc/88/84/75/655888475.db2.gz WSDCNQZRYCOPKZ-ZIAGYGMSSA-N 1 0 392.297 2.865 20 0 GFADRO CC[C@H]1CC[N@H+](CN2C(=O)N[C@@](C)(c3ccc(Br)cc3)C2=O)C1 ZINC000755926568 655891372 /nfs/dbraw/zinc/89/13/72/655891372.db2.gz XTZIUUFTQXYVCS-SJCJKPOMSA-N 1 0 380.286 2.906 20 0 GFADRO CC[C@H]1CC[N@H+](CN2C(=O)N[C@@](C)(c3ccccc3Br)C2=O)C1 ZINC000755926484 655891395 /nfs/dbraw/zinc/89/13/95/655891395.db2.gz WYRMSIPNSQQITI-SJCJKPOMSA-N 1 0 380.286 2.906 20 0 GFADRO COC(=O)N1CCC([NH2+][C@@H]2CCN(c3cccc(Br)c3)C2)CC1 ZINC000756104998 655895069 /nfs/dbraw/zinc/89/50/69/655895069.db2.gz ZUEYBBIHQOGAIU-OAHLLOKOSA-N 1 0 382.302 2.848 20 0 GFADRO COC(=O)N1CCC([NH2+]Cc2nnc(-c3ccc(Br)cc3)[nH]2)CC1 ZINC000756900419 655906662 /nfs/dbraw/zinc/90/66/62/655906662.db2.gz UNKJMTGPUSAKDS-UHFFFAOYSA-N 1 0 394.273 2.555 20 0 GFADRO CC1(C)CC(NC(=O)c2cccnc2I)CC(C)(C)[NH2+]1 ZINC000757734084 655915957 /nfs/dbraw/zinc/91/59/57/655915957.db2.gz RXRCYUUUIDEEGP-UHFFFAOYSA-N 1 0 387.265 2.725 20 0 GFADRO Cc1ncc(C(=O)OCC(=O)NC2CC[NH+](C(C)C)CC2)c(Cl)c1Cl ZINC000758511409 655934472 /nfs/dbraw/zinc/93/44/72/655934472.db2.gz SVFWXIXKEDOQCP-UHFFFAOYSA-N 1 0 388.295 2.843 20 0 GFADRO CNc1nc(C(=O)NCCc2cn3cc(Br)cc(C)c3n2)cs1 ZINC000758694170 655939265 /nfs/dbraw/zinc/93/92/65/655939265.db2.gz DFTYCOPQIGAKMF-UHFFFAOYSA-N 1 0 394.298 2.876 20 0 GFADRO C[NH+](C)CC(C)(C)CNS(=O)(=O)/C=C/c1ccccc1Br ZINC000758971987 655944337 /nfs/dbraw/zinc/94/43/37/655944337.db2.gz YGDKFBCURGPTNZ-MDZDMXLPSA-N 1 0 375.332 2.927 20 0 GFADRO C[NH+]1CCC(CNC(=S)NCCOc2cccc(C(F)(F)F)c2)CC1 ZINC000760468029 655981761 /nfs/dbraw/zinc/98/17/61/655981761.db2.gz NMNKGRQHDZBTPD-UHFFFAOYSA-N 1 0 375.460 2.890 20 0 GFADRO C[NH+]1CCC(CNC(=S)N2CCN(Cc3ccccc3Cl)CC2)CC1 ZINC000760495802 655982662 /nfs/dbraw/zinc/98/26/62/655982662.db2.gz JRDWLDAFKLJPIY-UHFFFAOYSA-N 1 0 380.989 2.674 20 0 GFADRO C[NH+](C)C[C@H]1CN(C(=O)c2ccnc(Br)c2)c2ccccc2O1 ZINC000760822224 655992585 /nfs/dbraw/zinc/99/25/85/655992585.db2.gz NSZOECPDYCMPEZ-ZDUSSCGKSA-N 1 0 376.254 2.814 20 0 GFADRO Brc1cc2c(cc1C[NH2+][C@H]1CCCC[C@@H]1N1CCOCC1)OCO2 ZINC000760919795 655994688 /nfs/dbraw/zinc/99/46/88/655994688.db2.gz KQFKELJGZYAXAD-HOTGVXAUSA-N 1 0 397.313 2.911 20 0 GFADRO C[C@@H]1CCC[N@H+](CCN2C(=O)N[C@](C)(c3cccc(Br)c3)C2=O)C1 ZINC000761021764 655996885 /nfs/dbraw/zinc/99/68/85/655996885.db2.gz ZXCYMJRUZGVCDD-FZKQIMNGSA-N 1 0 394.313 2.948 20 0 GFADRO C[N@H+](CCN1C(=O)N[C@@H](c2ccc(Br)cc2)C1=O)C1CCCC1 ZINC000761246612 656004991 /nfs/dbraw/zinc/00/49/91/656004991.db2.gz LYQLAWPIVBDJBV-HNNXBMFYSA-N 1 0 380.286 2.916 20 0 GFADRO C[C@H]1C[C@H](N2C(=O)CN(Cc3cccc(Br)c3)C2=O)CC[N@@H+]1C ZINC000761283246 656007630 /nfs/dbraw/zinc/00/76/30/656007630.db2.gz RVLVELFRKICJPH-SWLSCSKDSA-N 1 0 380.286 2.696 20 0 GFADRO C[C@@H]1C[C@H](N2C(=O)N[C@H](c3ccc(Br)cc3)C2=O)C[N@@H+]1C1CC1 ZINC000762096366 656031050 /nfs/dbraw/zinc/03/10/50/656031050.db2.gz HMMITANDMRTSSH-WKPIXPDZSA-N 1 0 378.270 2.667 20 0 GFADRO COc1cc(NC(=S)NCC(C)(C)C[NH+](C)C)ncc1Br ZINC000762458239 656042778 /nfs/dbraw/zinc/04/27/78/656042778.db2.gz ACOAEMIFFNINML-UHFFFAOYSA-N 1 0 375.336 2.727 20 0 GFADRO Cc1csc(SCc2ccc(C(=O)NC[C@]3(O)CC[N@@H+](C)C3)cc2)n1 ZINC000762714881 656056920 /nfs/dbraw/zinc/05/69/20/656056920.db2.gz DIIKEVOXFWSRIM-GOSISDBHSA-N 1 0 377.535 2.540 20 0 GFADRO CN(C)C(=O)c1ccc(C[N@H+](C)C[C@H](O)c2cccc(Br)c2)[nH]1 ZINC000840957371 661220078 /nfs/dbraw/zinc/22/00/78/661220078.db2.gz CKKVTYFCBDLTCE-INIZCTEOSA-N 1 0 380.286 2.644 20 0 GFADRO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)C2SCCCS2)cc1 ZINC000841002939 661226214 /nfs/dbraw/zinc/22/62/14/661226214.db2.gz JPZARHNZKRMLCQ-UHFFFAOYSA-N 1 0 381.567 2.893 20 0 GFADRO Brc1cnn(CN2CCC(CC[NH+]3CCOCC3)CC2)c1C1CC1 ZINC000765011270 656125606 /nfs/dbraw/zinc/12/56/06/656125606.db2.gz CKLGBZDWCNXACB-UHFFFAOYSA-N 1 0 397.361 2.915 20 0 GFADRO Cc1cc(S(=O)(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)cnc1Cl ZINC000765174969 656135507 /nfs/dbraw/zinc/13/55/07/656135507.db2.gz JXCNOSXOGQBCGP-WMLDXEAASA-N 1 0 379.913 2.842 20 0 GFADRO C[C@@H]1C[N@@H+](CCCNC(=O)N2Cc3ccc(Br)cc3C2)C[C@H](C)O1 ZINC000765199157 656136529 /nfs/dbraw/zinc/13/65/29/656136529.db2.gz HKKRBOGSNGPONH-OKILXGFUSA-N 1 0 396.329 2.974 20 0 GFADRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NS(=O)(=O)/C=C/c1cccc(Br)c1 ZINC000765208193 656137101 /nfs/dbraw/zinc/13/71/01/656137101.db2.gz KXHMFLNOTPEJTG-KRDNCVPESA-N 1 0 385.327 2.822 20 0 GFADRO CC[C@H]([NH2+]CCS(=O)(=O)CC)c1ccc(I)cc1 ZINC000765677793 656147177 /nfs/dbraw/zinc/14/71/77/656147177.db2.gz IHVQVXHBQXIMKI-ZDUSSCGKSA-N 1 0 381.279 2.767 20 0 GFADRO O=Cc1ccc(OCC(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)c(Br)c1 ZINC000765800777 656152356 /nfs/dbraw/zinc/15/23/56/656152356.db2.gz VGMUPHVHWRUUKY-HNNXBMFYSA-N 1 0 395.297 2.774 20 0 GFADRO CN(C[C@H](O)C[NH3+])C(=O)Nc1ccccc1SC[C@H]1CC1(Cl)Cl ZINC000841060488 661229995 /nfs/dbraw/zinc/22/99/95/661229995.db2.gz LYKLUKJWZUMVFU-GHMZBOCLSA-N 1 0 378.325 2.756 20 0 GFADRO CC[N@@H+]1C[C@H](C)N(C(=O)COc2ccc(C=O)cc2Br)C[C@H]1C ZINC000765933738 656155493 /nfs/dbraw/zinc/15/54/93/656155493.db2.gz VAYNZAIWACCSBR-OLZOCXBDSA-N 1 0 383.286 2.582 20 0 GFADRO Cn1nc(C(F)(F)F)c(CN2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)c1Cl ZINC000841099064 661232258 /nfs/dbraw/zinc/23/22/58/661232258.db2.gz CPESBKWEAPYOEN-STQMWFEESA-N 1 0 380.842 2.811 20 0 GFADRO CN(C(=O)C1SCCCS1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000841173199 661241332 /nfs/dbraw/zinc/24/13/32/661241332.db2.gz HOBZSAAQXCECIO-DLBZAZTESA-N 1 0 385.643 2.978 20 0 GFADRO C[C@H](C[NH+]1CCOCC1)C(=O)Nc1ccc(N2CCSCC2)c(Cl)c1 ZINC000767183712 656195891 /nfs/dbraw/zinc/19/58/91/656195891.db2.gz FOLGEHBLIBESIV-CQSZACIVSA-N 1 0 383.945 2.800 20 0 GFADRO CC[N@H+](C)Cc1cccc(CNS(=O)(=O)c2cnc(Cl)c(OC)c2)c1 ZINC000767720991 656216749 /nfs/dbraw/zinc/21/67/49/656216749.db2.gz HHUMNVRENVJHFB-UHFFFAOYSA-N 1 0 383.901 2.674 20 0 GFADRO C[C@@H](CNC(=O)N[C@H](CO)c1ccc(Br)cc1)[NH+]1CCCCC1 ZINC000768044958 656231097 /nfs/dbraw/zinc/23/10/97/656231097.db2.gz GUCNJPFOHJNMCD-XJKSGUPXSA-N 1 0 384.318 2.656 20 0 GFADRO [NH3+]C1CCC(NC(=O)C(=O)Nc2cccc(Cl)c2SC(F)F)CC1 ZINC000841158123 661239736 /nfs/dbraw/zinc/23/97/36/661239736.db2.gz BFKBEOYMRLQDBN-UHFFFAOYSA-N 1 0 377.844 2.979 20 0 GFADRO Ic1ccccc1C[N@@H+]1CCC[C@@H]1CN1CCOCC1 ZINC000768936830 656261502 /nfs/dbraw/zinc/26/15/02/656261502.db2.gz HXVBJOMGNADCMO-OAHLLOKOSA-N 1 0 386.277 2.588 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)Nc2cccc(Cl)c2SC(F)F)C1 ZINC000841205238 661244338 /nfs/dbraw/zinc/24/43/38/661244338.db2.gz BKWRDIRHYGFMCK-DTWKUNHWSA-N 1 0 377.844 2.789 20 0 GFADRO Cc1cccc(NC(=O)C(=O)NC[C@@H](C)[NH+]2CCCCC2)c1Br ZINC000769264222 656268767 /nfs/dbraw/zinc/26/87/67/656268767.db2.gz ZOUVLRSJRCQTRG-CYBMUJFWSA-N 1 0 382.302 2.687 20 0 GFADRO CC1(C)CCC[N@H+](CCNC(=O)CN2C(=S)N=NC2c2cccs2)C1 ZINC000769706811 656286743 /nfs/dbraw/zinc/28/67/43/656286743.db2.gz GFWYHMOVDFFIJW-UHFFFAOYSA-N 1 0 379.555 2.534 20 0 GFADRO CSc1nc2ccc(NC(=O)C(=O)N3CCC[C@@H](CC[NH3+])C3)cc2s1 ZINC000841232019 661246563 /nfs/dbraw/zinc/24/65/63/661246563.db2.gz OFAQZPWDRZIPPC-NSHDSACASA-N 1 0 378.523 2.544 20 0 GFADRO CCCCCSc1nc2ccc(NC(=O)C(=O)NC[C@@H](C)[NH3+])cc2s1 ZINC000841232198 661246667 /nfs/dbraw/zinc/24/66/67/661246667.db2.gz UWNSFPOQBPGVBF-LLVKDONJSA-N 1 0 380.539 2.981 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)NCC[N@H+]2CCC[C@H]2C)c(Br)c1 ZINC000770272549 656313955 /nfs/dbraw/zinc/31/39/55/656313955.db2.gz SJBIAODJYWKOLQ-CYBMUJFWSA-N 1 0 382.302 2.605 20 0 GFADRO CC(C)(C)Sc1ccc(NC(=O)C(=O)N[C@@H](CC[NH3+])C(F)(F)F)cc1 ZINC000841261966 661250240 /nfs/dbraw/zinc/25/02/40/661250240.db2.gz LZRTYEDHNWJGAY-LBPRGKRZSA-N 1 0 377.432 2.912 20 0 GFADRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)C(=O)Nc2cccc(Cl)c2SC(F)F)C1 ZINC000841260700 661250263 /nfs/dbraw/zinc/25/02/63/661250263.db2.gz JDXDDWXNECWLAG-RKDXNWHRSA-N 1 0 377.844 2.837 20 0 GFADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)Nc1cc2c(cc1Br)CCC2 ZINC000772547966 656382737 /nfs/dbraw/zinc/38/27/37/656382737.db2.gz MGBDHDZZMUOPIE-GJZGRUSLSA-N 1 0 394.313 2.923 20 0 GFADRO CS[C@@H]1CN(c2ccc(S(=O)(=O)C(F)(F)F)cc2)C[C@H]1[NH+]1CCCC1 ZINC000772576604 656383519 /nfs/dbraw/zinc/38/35/19/656383519.db2.gz HCMRZTJJGFESTN-HUUCEWRRSA-N 1 0 394.484 2.996 20 0 GFADRO C[NH+](C)[C@@H](CC(=O)N1CCn2c(Br)cnc2C1)c1ccccc1 ZINC000841431260 661264436 /nfs/dbraw/zinc/26/44/36/661264436.db2.gz RDYYSYXDANDMHI-AWEZNQCLSA-N 1 0 377.286 2.681 20 0 GFADRO CN(C(=O)CN1C(=S)N=NC1c1cccs1)C(C)(C)C[NH+]1CCCC1 ZINC000841468374 661267901 /nfs/dbraw/zinc/26/79/01/661267901.db2.gz YDPLLOWUHUMSSE-UHFFFAOYSA-N 1 0 379.555 2.628 20 0 GFADRO CCS(=O)(=O)N1CCC([NH2+]Cc2cc(C)cc(Br)c2)CC1 ZINC000774960680 656575537 /nfs/dbraw/zinc/57/55/37/656575537.db2.gz FPPXCOIRPIDKAP-UHFFFAOYSA-N 1 0 375.332 2.661 20 0 GFADRO Cc1cc(Br)cc(C[NH2+][C@H]2CCCN(c3ccn(C)n3)C2=O)c1 ZINC000775006821 656585077 /nfs/dbraw/zinc/58/50/77/656585077.db2.gz KNCKOROYRFSVMK-HNNXBMFYSA-N 1 0 377.286 2.776 20 0 GFADRO Cc1cc(Br)cc(C[NH2+]C[C@@H]2CCC[C@@H]2NS(C)(=O)=O)c1 ZINC000775004520 656585185 /nfs/dbraw/zinc/58/51/85/656585185.db2.gz OYZDRZCRYDJVQL-ZFWWWQNUSA-N 1 0 375.332 2.565 20 0 GFADRO C[C@@H]([NH2+]C(C)(C)CNC(=O)C(=O)NC[C@@H]1CC1(Cl)Cl)c1ccccc1 ZINC000775156819 656604905 /nfs/dbraw/zinc/60/49/05/656604905.db2.gz AOTRGRPXOKAVRE-OCCSQVGLSA-N 1 0 386.323 2.542 20 0 GFADRO COC1(C[NH2+]Cc2c(C)nn([C@H]3CCS(=O)(=O)C3)c2Cl)CCCCC1 ZINC000775320387 656629679 /nfs/dbraw/zinc/62/96/79/656629679.db2.gz FLIRMXMALXCLGG-AWEZNQCLSA-N 1 0 389.949 2.643 20 0 GFADRO O=C(c1cccc(C[NH2+][C@@H]2CC[C@H]3SCCS[C@H]23)c1)N1CCOCC1 ZINC000775381894 656634425 /nfs/dbraw/zinc/63/44/25/656634425.db2.gz DXDMFUZJCLRSFP-KZNAEPCWSA-N 1 0 378.563 2.628 20 0 GFADRO CS(=O)(=O)[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](O)c1ccc(OC(F)(F)F)cc1 ZINC000775380419 656634697 /nfs/dbraw/zinc/63/46/97/656634697.db2.gz INEUFVURXAGRFN-RBSFLKMASA-N 1 0 381.416 2.564 20 0 GFADRO OC[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CC[C@@H]2SCCS[C@H]12 ZINC000775391019 656636272 /nfs/dbraw/zinc/63/62/72/656636272.db2.gz BMTFIFZCFLVMGN-UHZRXMQZSA-N 1 0 378.607 2.839 20 0 GFADRO COc1cc(C[C@H](CO)C[NH2+][C@@H]2CC[C@@H]3SCCS[C@H]23)cc(OC)c1 ZINC000775396674 656637396 /nfs/dbraw/zinc/63/73/96/656637396.db2.gz QZGSCPRJDRBWIB-KLIQENQMSA-N 1 0 383.579 2.824 20 0 GFADRO COC(=O)N1CCC[C@H]([C@@H](C)[NH2+]CCS(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000775812613 656682273 /nfs/dbraw/zinc/68/22/73/656682273.db2.gz OOMQRNJLAVFLFK-KGLIPLIRSA-N 1 0 388.917 2.570 20 0 GFADRO Cc1cnc(Br)cc1NC(=O)NCCCC[N@@H+]1CCC[C@@H]1CO ZINC000776052360 656708843 /nfs/dbraw/zinc/70/88/43/656708843.db2.gz ITFVXRMPIMXVBM-CYBMUJFWSA-N 1 0 385.306 2.511 20 0 GFADRO COC(=O)N1CCC([C@H](C)[NH2+]C[C@H](O)c2ccc(Br)cc2)CC1 ZINC000776808387 656796467 /nfs/dbraw/zinc/79/64/67/656796467.db2.gz QMBMDIGZYBTUFL-LRDDRELGSA-N 1 0 385.302 2.939 20 0 GFADRO CC(C)(COc1ncccc1Br)[NH2+]CC(=O)Nc1ccc(O)cc1 ZINC000779603196 656933465 /nfs/dbraw/zinc/93/34/65/656933465.db2.gz MRGMKIWDPDEGJQ-UHFFFAOYSA-N 1 0 394.269 2.935 20 0 GFADRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2cn(C(C)(C)C)nc2Br)C1 ZINC000779989046 656974185 /nfs/dbraw/zinc/97/41/85/656974185.db2.gz SQOJLURWHPBWAR-GXTWGEPZSA-N 1 0 383.334 2.957 20 0 GFADRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=S)Nc1cccc(Br)c1 ZINC000780208289 656991372 /nfs/dbraw/zinc/99/13/72/656991372.db2.gz MRACRWBTNYZWKF-LBPRGKRZSA-N 1 0 386.359 2.923 20 0 GFADRO O=C(NOCc1ccc(F)cc1Br)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000780307349 656997245 /nfs/dbraw/zinc/99/72/45/656997245.db2.gz IEAKYWOLWQHJOE-LSDHHAIUSA-N 1 0 386.265 2.946 20 0 GFADRO CC(C)C[N@@H+]1CCO[C@@H](COC(=O)c2cc3sc(N(C)C)nc3s2)C1 ZINC000780374559 657001691 /nfs/dbraw/zinc/00/16/91/657001691.db2.gz PTGILQHKCFISSL-GFCCVEGCSA-N 1 0 383.539 2.937 20 0 GFADRO COc1ccc(Br)c(S(=O)(=O)NC[C@@H](C)[NH+]2CCCCC2)c1 ZINC000780717532 657025298 /nfs/dbraw/zinc/02/52/98/657025298.db2.gz HAVFNSXDUQNPPO-GFCCVEGCSA-N 1 0 391.331 2.610 20 0 GFADRO C[C@H]([NH2+]CCOc1ccc(S(=O)(=O)C(F)(F)F)cc1)[C@H]1CCCOC1 ZINC000780729323 657026502 /nfs/dbraw/zinc/02/65/02/657026502.db2.gz DBDZQZRAZXFDJK-STQMWFEESA-N 1 0 381.416 2.764 20 0 GFADRO COc1ccc(C(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)nc1Br ZINC000781943043 657091415 /nfs/dbraw/zinc/09/14/15/657091415.db2.gz JLMIHJVGZZGCPS-CHWSQXEVSA-N 1 0 384.318 2.951 20 0 GFADRO C[NH+](C)C1(CNC(=O)C(=O)Nc2ccccc2SC(F)(F)F)CCC1 ZINC000782724903 657176928 /nfs/dbraw/zinc/17/69/28/657176928.db2.gz UMQYSMHVOPIPCG-UHFFFAOYSA-N 1 0 375.416 2.838 20 0 GFADRO CCOC(=O)c1nn(CN2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c(=S)s1 ZINC000782834503 657183799 /nfs/dbraw/zinc/18/37/99/657183799.db2.gz XVDBPBOLOCNBNG-TZMCWYRMSA-N 1 0 382.555 2.757 20 0 GFADRO NC(=O)[C@H](Cc1ccc(F)cc1)[NH2+]CCc1ccc(Br)cc1F ZINC000784066088 657286495 /nfs/dbraw/zinc/28/64/95/657286495.db2.gz UPTNDOKFSJWUKI-INIZCTEOSA-N 1 0 383.236 2.956 20 0 GFADRO Cn1nc(Br)cc1CNc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000785430672 657364086 /nfs/dbraw/zinc/36/40/86/657364086.db2.gz ZXQZYJOZWOELPJ-UHFFFAOYSA-N 1 0 378.318 2.542 20 0 GFADRO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@@H]1COC2(CCCCC2)O1 ZINC000787757059 657595302 /nfs/dbraw/zinc/59/53/02/657595302.db2.gz BKATVDKXMFTJPD-DZGCQCFKSA-N 1 0 385.302 2.665 20 0 GFADRO CO[C@H](C)C(=O)OC1CC[NH+](CCOc2cccc(Br)c2)CC1 ZINC000788049874 657639866 /nfs/dbraw/zinc/63/98/66/657639866.db2.gz AJHACRWKILKZQL-CYBMUJFWSA-N 1 0 386.286 2.870 20 0 GFADRO COc1cc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)cnc1Br ZINC000788226717 657676994 /nfs/dbraw/zinc/67/69/94/657676994.db2.gz DFIUBZDCMVGJIL-KGLIPLIRSA-N 1 0 382.302 2.940 20 0 GFADRO COc1cc(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cnc1Br ZINC000788233031 657679397 /nfs/dbraw/zinc/67/93/97/657679397.db2.gz OSCCYXHEJSRDME-IUODEOHRSA-N 1 0 394.313 2.942 20 0 GFADRO Cn1ccnc1[C@@](O)(CC[NH2+]Cc1ncc(C(F)(F)F)s1)C(F)(F)F ZINC000788507429 657732431 /nfs/dbraw/zinc/73/24/31/657732431.db2.gz MNFQIRLHUFWHAP-NSHDSACASA-N 1 0 388.337 2.825 20 0 GFADRO C[NH+](C)CCNC(=S)N[C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O ZINC000788685479 657773630 /nfs/dbraw/zinc/77/36/30/657773630.db2.gz MUQFGQRNSKIVBT-CYBMUJFWSA-N 1 0 389.352 2.515 20 0 GFADRO CN(CC[NH2+][C@@H]1CCc2ccc(Cl)nc21)S(=O)(=O)c1ccc(F)cc1 ZINC000788804726 657786678 /nfs/dbraw/zinc/78/66/78/657786678.db2.gz XVFFOLZXXSGCBR-OAHLLOKOSA-N 1 0 383.876 2.772 20 0 GFADRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NS(=O)(=O)c1ccc2nc(Cl)cnc2c1 ZINC000788911377 657795806 /nfs/dbraw/zinc/79/58/06/657795806.db2.gz AWTZSOHAQFWFNS-QWHCGFSZSA-N 1 0 382.917 2.682 20 0 GFADRO Cn1nc(Br)cc1C(=O)Nc1cccc2c1OCC[C@@H]2[NH+](C)C ZINC000790234322 657939769 /nfs/dbraw/zinc/93/97/69/657939769.db2.gz DYVAWURHDJZCKH-LBPRGKRZSA-N 1 0 379.258 2.820 20 0 GFADRO COC(=O)c1c2cnn(C[N@@H+]3CC[C@H](C)[C@@H](OC)C3)c2ccc1Br ZINC000790441073 657977976 /nfs/dbraw/zinc/97/79/76/657977976.db2.gz BEEXZDLYZVCNNS-NHYWBVRUSA-N 1 0 396.285 2.900 20 0 GFADRO Nc1nc(N2CCC[C@H](OC(=O)c3ccc(Br)s3)C2)cc[nH+]1 ZINC000791108922 658060211 /nfs/dbraw/zinc/06/02/11/658060211.db2.gz QELLZMJGLUUYAU-VIFPVBQESA-N 1 0 383.271 2.709 20 0 GFADRO O=C(NC[C@H]1CSCCS1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000792129007 658237276 /nfs/dbraw/zinc/23/72/76/658237276.db2.gz IOKUEDSIFRNIAE-KSZLIROESA-N 1 0 377.579 2.608 20 0 GFADRO CCN1CC[NH+](C[C@H](C)CNC(=S)Nc2cc(Cl)ccc2OC)CC1 ZINC000792679202 658309150 /nfs/dbraw/zinc/30/91/50/658309150.db2.gz GDRFSDGKGXFAGT-CQSZACIVSA-N 1 0 384.977 2.909 20 0 GFADRO CC(C)(C)OC(=O)NCC[C@H](O)C[NH2+]Cc1cc(F)cc(Br)c1 ZINC000792959473 658335235 /nfs/dbraw/zinc/33/52/35/658335235.db2.gz MKFPBRDWVUNGCS-AWEZNQCLSA-N 1 0 391.281 2.954 20 0 GFADRO COCC[NH+]1CCC(NC(=O)Cc2sc(SC(F)F)nc2C)CC1 ZINC000793198975 658370303 /nfs/dbraw/zinc/37/03/03/658370303.db2.gz NEXVOADJYRIKSG-UHFFFAOYSA-N 1 0 379.498 2.536 20 0 GFADRO Cc1nc(SC(F)F)sc1CC(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000793329902 658386061 /nfs/dbraw/zinc/38/60/61/658386061.db2.gz ZAHNDMVKGFWIMP-UHFFFAOYSA-N 1 0 375.470 2.706 20 0 GFADRO Cc1cc([C@@H](C)[NH2+][C@H]2CCN(c3cccc(Br)c3)C2=O)n(C)n1 ZINC000793563533 658406604 /nfs/dbraw/zinc/40/66/04/658406604.db2.gz CVFVRYUBRWZWJE-DOMZBBRYSA-N 1 0 377.286 2.947 20 0 GFADRO O=c1oc2cccc(Br)c2n1CN1CCC[C@H]1C[NH+]1CCCC1 ZINC000794633578 658583749 /nfs/dbraw/zinc/58/37/49/658583749.db2.gz VFUDPQFVFMMKGH-ZDUSSCGKSA-N 1 0 380.286 2.875 20 0 GFADRO C[N@H+](CC1CC1)C[C@H]1CCN(Cn2c(=O)oc3cccc(Br)c32)C1 ZINC000794637913 658587352 /nfs/dbraw/zinc/58/73/52/658587352.db2.gz ZZDMAMQPOHWCDQ-CQSZACIVSA-N 1 0 394.313 2.978 20 0 GFADRO Cc1cc(C)c(S(N)(=O)=O)cc1[C@@H](C)[NH2+]C[C@@H](O)c1ccc(Cl)cc1 ZINC000794793472 658615813 /nfs/dbraw/zinc/61/58/13/658615813.db2.gz ORFQZJZUILKPES-CXAGYDPISA-N 1 0 382.913 2.988 20 0 GFADRO C[C@H](NCC[N@@H+]1CCC[C@H]1C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000794804251 658617106 /nfs/dbraw/zinc/61/71/06/658617106.db2.gz UILBWLLUTSABQZ-MNOVXSKESA-N 1 0 380.341 2.776 20 0 GFADRO CCNS(=O)(=O)CC[NH2+][C@H](c1ccc(Br)cc1F)C1CC1 ZINC000794811620 658617632 /nfs/dbraw/zinc/61/76/32/658617632.db2.gz SOSPGOZZFJZNJU-AWEZNQCLSA-N 1 0 379.295 2.568 20 0 GFADRO NC(=O)[C@@H]([NH2+][C@H]1CCc2ccccc2OC1)c1cccc(Br)c1 ZINC000794826243 658618384 /nfs/dbraw/zinc/61/83/84/658618384.db2.gz BIKROGQFKZFMFB-RDJZCZTQSA-N 1 0 375.266 2.959 20 0 GFADRO O=C(CC1([NH+]2CCOCC2)CCCC1)OCc1cccc(Br)n1 ZINC000795566811 658831497 /nfs/dbraw/zinc/83/14/97/658831497.db2.gz CUOBDSRYIFVIPW-UHFFFAOYSA-N 1 0 383.286 2.922 20 0 GFADRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1CN1Cc2cccc(Br)c2C1=O ZINC000795709571 658843405 /nfs/dbraw/zinc/84/34/05/658843405.db2.gz YQYQKJLYUICXKH-HIFRSBDPSA-N 1 0 378.314 2.921 20 0 GFADRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1CN1Cc2ccc(Br)cc2C1=O ZINC000795709089 658843422 /nfs/dbraw/zinc/84/34/22/658843422.db2.gz XDVNXKWMUVAXIG-CJNGLKHVSA-N 1 0 378.314 2.921 20 0 GFADRO CC[C@H](C)[NH2+][C@@H](CNS(=O)(=O)c1cnc(Cl)c(OC)c1)c1ccco1 ZINC000796049932 658884889 /nfs/dbraw/zinc/88/48/89/658884889.db2.gz YZEUZIZECBIAJX-AAEUAGOBSA-N 1 0 387.889 2.744 20 0 GFADRO CN(C[C@@H]1CCC[N@H+](Cc2cc(Cl)nc3ccccc23)C1)S(C)(=O)=O ZINC000796121446 658894504 /nfs/dbraw/zinc/89/45/04/658894504.db2.gz LUYRQJBWABNFFD-AWEZNQCLSA-N 1 0 381.929 2.992 20 0 GFADRO CS(=O)(=O)N[C@H]1CCCC[C@@H]1C[NH2+]Cc1ccc(CSC(F)F)o1 ZINC000796490519 658919572 /nfs/dbraw/zinc/91/95/72/658919572.db2.gz VQPBBQAXSAHAIS-RISCZKNCSA-N 1 0 382.498 2.933 20 0 GFADRO COC(=O)C[C@](C)([NH2+]CCCN1CCOC1=O)c1ccc(Br)cc1 ZINC000796496435 658919908 /nfs/dbraw/zinc/91/99/08/658919908.db2.gz ABYPYHULVMHIFU-KRWDZBQOSA-N 1 0 399.285 2.659 20 0 GFADRO COC(=O)C[C@](C)([NH2+]C/C=C(/C)C(=O)OC)c1ccc(Br)cc1 ZINC000796497095 658919992 /nfs/dbraw/zinc/91/99/92/658919992.db2.gz FPFPITPLPHUGRH-GKUQOKNUSA-N 1 0 384.270 2.936 20 0 GFADRO C[NH+](C)[C@@]1(CNC(=O)c2cnn(Cc3ccccc3)c2Cl)CCSC1 ZINC000796932790 658952265 /nfs/dbraw/zinc/95/22/65/658952265.db2.gz LGRPPDBIDTWBRO-GOSISDBHSA-N 1 0 378.929 2.752 20 0 GFADRO O=C1[C@H]([NH2+][C@@H]2CCCc3n[nH]cc32)CCN1c1cccc(Br)c1 ZINC000796973996 658957271 /nfs/dbraw/zinc/95/72/71/658957271.db2.gz UGWAICVQHKMGLA-GDBMZVCRSA-N 1 0 375.270 2.945 20 0 GFADRO C[C@H]([NH2+]CCn1cc(Br)cn1)c1ccc(N2CCNC2=O)cc1 ZINC000797115501 658982497 /nfs/dbraw/zinc/98/24/97/658982497.db2.gz DRTLPQNVKBRJRK-LBPRGKRZSA-N 1 0 378.274 2.526 20 0 GFADRO O=S(=O)(NC1CC[NH+](C[C@H]2CCCO2)CC1)c1ccc(Cl)cc1Cl ZINC000797446768 659023413 /nfs/dbraw/zinc/02/34/13/659023413.db2.gz COKIOOLYBARPSN-CQSZACIVSA-N 1 0 393.336 2.915 20 0 GFADRO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]C[C@H]1CCC(F)(F)C1 ZINC000797468215 659027816 /nfs/dbraw/zinc/02/78/16/659027816.db2.gz JWBDBQVYOXJSNF-RYUDHWBXSA-N 1 0 381.876 2.730 20 0 GFADRO COc1c[nH+]ccc1N1CCN(C(=O)Nc2cccc(Br)n2)CC1 ZINC000797645677 659039674 /nfs/dbraw/zinc/03/96/74/659039674.db2.gz UHWRBDYJPXUPHJ-UHFFFAOYSA-N 1 0 392.257 2.602 20 0 GFADRO CC[C@@H]1CN(C)CCCN1C(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000798141731 659076152 /nfs/dbraw/zinc/07/61/52/659076152.db2.gz QTCDTWGXSWTNGP-CYBMUJFWSA-N 1 0 378.416 2.536 20 0 GFADRO Cc1cc(S(=O)(=O)NCC[NH2+][C@@H]2CCc3ccc(Cl)nc32)c(C)s1 ZINC000798182787 659080088 /nfs/dbraw/zinc/08/00/88/659080088.db2.gz VMSUSAHORPEIJY-CYBMUJFWSA-N 1 0 385.942 2.969 20 0 GFADRO NC(=S)c1ccc(C(=O)NCC2([NH+]3CCSCC3)CCCCC2)cc1 ZINC000798326908 659094692 /nfs/dbraw/zinc/09/46/92/659094692.db2.gz XBTBEPJLVRLPDC-UHFFFAOYSA-N 1 0 377.579 2.802 20 0 GFADRO O=S(=O)(N1CCC(C[NH2+][C@H]2CCCc3cccnc32)CC1)C(F)(F)F ZINC000798929325 659157639 /nfs/dbraw/zinc/15/76/39/659157639.db2.gz QGBVSRWOWIEATA-AWEZNQCLSA-N 1 0 377.432 2.610 20 0 GFADRO OCC[N@@H+](Cc1cc(Br)cs1)C[C@@H](O)c1ccc(F)cn1 ZINC000799324382 659180954 /nfs/dbraw/zinc/18/09/54/659180954.db2.gz QMWQBDGTZSQHCR-CQSZACIVSA-N 1 0 375.263 2.573 20 0 GFADRO C[NH+](C)CCOc1ccccc1CNC(=O)N1CCC=C(Br)C1 ZINC000799368122 659184423 /nfs/dbraw/zinc/18/44/23/659184423.db2.gz SLWBDGOBXOZBHX-UHFFFAOYSA-N 1 0 382.302 2.821 20 0 GFADRO O[C@H](C[NH2+]C[C@H](O)c1ccc(F)cn1)COc1cccc(Cl)c1Cl ZINC000799613215 659202128 /nfs/dbraw/zinc/20/21/28/659202128.db2.gz KEVXSCSGMNLGQS-RISCZKNCSA-N 1 0 375.227 2.590 20 0 GFADRO CS(=O)(=O)CCOCC[NH2+][C@H]1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000799719984 659216909 /nfs/dbraw/zinc/21/69/09/659216909.db2.gz GBYUCTIBXICVJS-ZBFHGGJFSA-N 1 0 379.444 2.992 20 0 GFADRO CC[NH+]1CCC(CNC(=O)NC[C@H](O)c2cccc(Br)c2)CC1 ZINC000799938472 659247540 /nfs/dbraw/zinc/24/75/40/659247540.db2.gz CTVRXQNMQHAPKI-INIZCTEOSA-N 1 0 384.318 2.514 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)NC[C@H](O)c2cccc(Br)c2)C1 ZINC000799959600 659251322 /nfs/dbraw/zinc/25/13/22/659251322.db2.gz IBNSRIUJGONZIZ-XHSDSOJGSA-N 1 0 384.318 2.655 20 0 GFADRO CC[NH+](CC)CCCOC(=O)c1ccc(N2CCCS2(=O)=O)cc1Cl ZINC000800170627 659285103 /nfs/dbraw/zinc/28/51/03/659285103.db2.gz WMAGZICZZFDVJZ-UHFFFAOYSA-N 1 0 388.917 2.769 20 0 GFADRO CC(C)(C)OC(=O)Nc1ncc(C[NH2+]CCC2CCS(=O)(=O)CC2)s1 ZINC000800258204 659296739 /nfs/dbraw/zinc/29/67/39/659296739.db2.gz SGXNGGCZOVLJOR-UHFFFAOYSA-N 1 0 389.543 2.795 20 0 GFADRO Cc1cc(C)n2c(C[NH2+]C[C@H](O)c3cccc(Br)c3)cnc2n1 ZINC000800289956 659298770 /nfs/dbraw/zinc/29/87/70/659298770.db2.gz VRHVSRVYTDEGLD-INIZCTEOSA-N 1 0 375.270 2.932 20 0 GFADRO C[NH+](C)Cc1ccc(C(=O)NC[C@H](O)c2cccc(Br)c2)cc1 ZINC000800584417 659318987 /nfs/dbraw/zinc/31/89/87/659318987.db2.gz QYQIFFILILTKOJ-KRWDZBQOSA-N 1 0 377.282 2.974 20 0 GFADRO CC1CC[NH+](CCCNC(=O)NC[C@H](O)c2cccc(Br)c2)CC1 ZINC000800698956 659327632 /nfs/dbraw/zinc/32/76/32/659327632.db2.gz OQYVKUMXAZXQMR-KRWDZBQOSA-N 1 0 398.345 2.904 20 0 GFADRO Cc1nn(C)c(Br)c1C(=O)NC[C@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000800843792 659338645 /nfs/dbraw/zinc/33/86/45/659338645.db2.gz VEXNIECQINEMIF-CQSZACIVSA-N 1 0 385.350 2.977 20 0 GFADRO Cc1nn(C)c(Br)c1C(=O)Nc1cccc(OCC[NH+](C)C)c1 ZINC000800847120 659339342 /nfs/dbraw/zinc/33/93/42/659339342.db2.gz OLLGCVUGEDQZFV-UHFFFAOYSA-N 1 0 381.274 2.684 20 0 GFADRO Cc1cc(C[NH2+]CCNS(=O)(=O)c2ccc(F)cc2Cl)cnc1Cl ZINC000800895232 659343879 /nfs/dbraw/zinc/34/38/79/659343879.db2.gz IJRQGDUIUTWMFI-UHFFFAOYSA-N 1 0 392.283 2.904 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2cc3c(cc2Cl)CCC3=O)C[C@H]1C ZINC000800917295 659347986 /nfs/dbraw/zinc/34/79/86/659347986.db2.gz SMLOHKYCMXGKSS-OCCSQVGLSA-N 1 0 384.929 2.962 20 0 GFADRO O=C1c2cccc(Br)c2CN1CN1CC[C@H](C[NH+]2CCCC2)C1 ZINC000802732746 659500021 /nfs/dbraw/zinc/50/00/21/659500021.db2.gz OYSWBBVRPHIMAD-CQSZACIVSA-N 1 0 378.314 2.780 20 0 GFADRO O=C(N[C@@H]1CCc2cncn2C1)[C@@H]1CC(c2ccc(Cl)cc2Cl)=NO1 ZINC000804333875 659635170 /nfs/dbraw/zinc/63/51/70/659635170.db2.gz RRGFMUYNWUNUAY-BZNIZROVSA-N 1 0 379.247 2.814 20 0 GFADRO CCOC(=O)C(F)(F)[C@@H]1CCC[C@@H]([NH2+][C@@H](CCSC)C(=O)N(C)C)C1 ZINC000806663030 659839347 /nfs/dbraw/zinc/83/93/47/659839347.db2.gz SBEHRKIIZASXQV-MCIONIFRSA-N 1 0 380.501 2.543 20 0 GFADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)c1nc(Br)sc1C1CC1 ZINC000806773473 659841162 /nfs/dbraw/zinc/84/11/62/659841162.db2.gz QKEZLYQNHUQUDJ-NSHDSACASA-N 1 0 388.331 2.624 20 0 GFADRO O[C@H]1c2ccccc2OC[C@H]1[NH2+]Cc1cccc(I)c1 ZINC000808454761 659894856 /nfs/dbraw/zinc/89/48/56/659894856.db2.gz SPULJWRRLMYJSP-ZBFHGGJFSA-N 1 0 381.213 2.875 20 0 GFADRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]C[C@H](O)c3cccc(Br)c3)[C@@H]2C1 ZINC000808782689 659905741 /nfs/dbraw/zinc/90/57/41/659905741.db2.gz BFIWYUZWOBOVMR-RANZSIQMSA-N 1 0 381.314 2.719 20 0 GFADRO CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3nc4ccccn4c3Br)[C@H]2C1 ZINC000809787705 659939380 /nfs/dbraw/zinc/93/93/80/659939380.db2.gz HVJPYDKREDLKRL-SOUVJXGZSA-N 1 0 391.313 2.833 20 0 GFADRO O=C(NC[C@H]1CCC[N@@H+](C[C@H](O)c2ccc(Cl)c(F)c2)C1)C(F)(F)F ZINC000810072718 659959426 /nfs/dbraw/zinc/95/94/26/659959426.db2.gz OAWHMKBIDULSRX-YGRLFVJLSA-N 1 0 382.785 2.903 20 0 GFADRO CCC[N@H+](CC)C[C@@H](C)NS(=O)(=O)c1sc(C(=O)OC)c(Cl)c1C ZINC000810118212 659963081 /nfs/dbraw/zinc/96/30/81/659963081.db2.gz ODXHKEOTEKGHJU-SNVBAGLBSA-N 1 0 396.962 2.895 20 0 GFADRO Cc1cc(Br)cc(C(=O)O[C@H]2CCCN(c3cc[nH+]c(N)n3)C2)c1 ZINC000810767942 659984994 /nfs/dbraw/zinc/98/49/94/659984994.db2.gz ATXXCRWXIPBIKU-AWEZNQCLSA-N 1 0 391.269 2.956 20 0 GFADRO CCn1cc(Br)c(=O)c(NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)c1 ZINC000810920335 659990432 /nfs/dbraw/zinc/99/04/32/659990432.db2.gz ZHPBCBNYHHKSAR-MRXNPFEDSA-N 1 0 388.281 2.782 20 0 GFADRO CSC1(CNC(=O)c2c[nH]c(=S)n2-c2ccccc2)CC[NH+](C)CC1 ZINC000812256029 660021803 /nfs/dbraw/zinc/02/18/03/660021803.db2.gz WFVNDEVVXZHVRX-UHFFFAOYSA-N 1 0 376.551 2.718 20 0 GFADRO CC[N@H+](Cn1ncc2c1ccc(Br)c2C(=O)OC)[C@H]1CCOC1 ZINC000812296886 660022657 /nfs/dbraw/zinc/02/26/57/660022657.db2.gz RZBCWQMPJFNNRZ-NSHDSACASA-N 1 0 382.258 2.654 20 0 GFADRO CC1(C)[C@H](O)CC[N@@H+]1C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000812865813 660035939 /nfs/dbraw/zinc/03/59/39/660035939.db2.gz STIQTBSLFQQVLD-BXUZGUMPSA-N 1 0 378.694 2.687 20 0 GFADRO CC(C)CN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc(Cl)c2nonc21 ZINC000814379941 660078373 /nfs/dbraw/zinc/07/83/73/660078373.db2.gz NUJNDNFISQFSLP-UHFFFAOYSA-N 1 0 386.905 2.617 20 0 GFADRO Cc1cc2cc(S(=O)(=O)N[C@H]3C[N@H+](C4CC4)C[C@H]3C)ccc2nc1Cl ZINC000815025153 660103416 /nfs/dbraw/zinc/10/34/16/660103416.db2.gz DZPDLQIMYMFPCK-PXAZEXFGSA-N 1 0 379.913 2.958 20 0 GFADRO C[C@@](O)(C[N@@H+]1CCC[C@@H](CC(N)=O)C1)c1ccc(Br)cc1Cl ZINC000815056046 660107767 /nfs/dbraw/zinc/10/77/67/660107767.db2.gz ZNGZCDAEGJXJTN-MEDUHNTESA-N 1 0 389.721 2.897 20 0 GFADRO CN(C)C(=O)OC1CC[NH+](C[C@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000815192992 660116332 /nfs/dbraw/zinc/11/63/32/660116332.db2.gz OEGNXRBBEWYWFR-LBPRGKRZSA-N 1 0 391.295 2.896 20 0 GFADRO O=C(CC1([NH+]2CCOCC2)CCCC1)OCc1ccnc(Br)c1 ZINC000815239176 660117589 /nfs/dbraw/zinc/11/75/89/660117589.db2.gz KSANQGPBEGIBII-UHFFFAOYSA-N 1 0 383.286 2.922 20 0 GFADRO C[C@@H](CNC(=O)C(=O)Nc1ccc2cc(Br)ccc2c1)C[NH+](C)C ZINC000815684343 660128342 /nfs/dbraw/zinc/12/83/42/660128342.db2.gz LNICMHDTJDVTHF-LBPRGKRZSA-N 1 0 392.297 2.855 20 0 GFADRO Nc1nc(N2CCC[C@@H](OC(=O)Cc3cscc3Br)C2)cc[nH+]1 ZINC000816055246 660141527 /nfs/dbraw/zinc/14/15/27/660141527.db2.gz BBSGIRXCMYNBAJ-LLVKDONJSA-N 1 0 397.298 2.638 20 0 GFADRO CC[NH+](CC)CC[C@@H](CO)NC(=O)c1nc(Br)sc1C1CC1 ZINC000816487093 660158607 /nfs/dbraw/zinc/15/86/07/660158607.db2.gz CTFNSZWDFRVISG-NSHDSACASA-N 1 0 390.347 2.606 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)[C@@H]1CSC(c2ccccc2O)=N1)c1ccsc1 ZINC000816857593 660170591 /nfs/dbraw/zinc/17/05/91/660170591.db2.gz LOXWVRUZVQUJTH-LSDHHAIUSA-N 1 0 375.519 2.735 20 0 GFADRO O=C(NCc1ccccc1C[N@H+]1CC[C@H](O)C1)c1snc(Cl)c1Cl ZINC000816967784 660175020 /nfs/dbraw/zinc/17/50/20/660175020.db2.gz XFEIZDMQXMGAAN-LBPRGKRZSA-N 1 0 386.304 2.947 20 0 GFADRO O=C(NCc1ccccc1C[N@H+]1CC[C@H](O)C1)c1nc(Cl)sc1Cl ZINC000816967068 660175047 /nfs/dbraw/zinc/17/50/47/660175047.db2.gz VLWKDUWNHIOTDK-LBPRGKRZSA-N 1 0 386.304 2.947 20 0 GFADRO CN(C(C)(C)C[NH+]1CCCC1)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F ZINC000841571921 661305142 /nfs/dbraw/zinc/30/51/42/661305142.db2.gz JASJJAYEKRXWPV-UHFFFAOYSA-N 1 0 386.386 2.877 20 0 GFADRO CN(C(C)(C)C[NH+]1CCCC1)S(=O)(=O)c1c(Cl)nc2sccn21 ZINC000841575556 661306067 /nfs/dbraw/zinc/30/60/67/661306067.db2.gz QWEPZTYPPQRSQJ-UHFFFAOYSA-N 1 0 376.935 2.544 20 0 GFADRO [NH3+]CCCOC1CCN(C(=O)NCCSCc2ccnc(Cl)c2)CC1 ZINC000841878402 661317123 /nfs/dbraw/zinc/31/71/23/661317123.db2.gz XUXAOPKLPDUAOR-UHFFFAOYSA-N 1 0 386.949 2.508 20 0 GFADRO C[C@H](NC(=O)N1CCO[C@@H](c2ccccc2Br)C1)[C@H]1CCC[NH2+]C1 ZINC000841929945 661318029 /nfs/dbraw/zinc/31/80/29/661318029.db2.gz XZZHHAKTAPEVCJ-GRDNDAEWSA-N 1 0 396.329 2.920 20 0 GFADRO C[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)N(C)C1CCC([NH3+])CC1 ZINC000842157561 661325805 /nfs/dbraw/zinc/32/58/05/661325805.db2.gz RCQUXYAHFCVRDO-QGLTVNCISA-N 1 0 386.323 2.769 20 0 GFADRO CCCC[N@H+](C)CCN1C(=O)[C@@H]2Cc3c(Br)cccc3CN2C1=O ZINC000842242535 661329963 /nfs/dbraw/zinc/32/99/63/661329963.db2.gz SDFQPIKJTJXSID-INIZCTEOSA-N 1 0 394.313 2.870 20 0 GFADRO [NH3+]CCC[C@@H](NC(=O)c1cccnc1I)c1ccccc1 ZINC000842510336 661342850 /nfs/dbraw/zinc/34/28/50/661342850.db2.gz OKOICOHCVPEVJA-CQSZACIVSA-N 1 0 395.244 2.896 20 0 GFADRO C[NH2+]C[C@@H](C)c1noc(CCC(=O)c2ccc(I)cc2)n1 ZINC000842576935 661344130 /nfs/dbraw/zinc/34/41/30/661344130.db2.gz IWJCKXYQXRTUMF-SNVBAGLBSA-N 1 0 399.232 2.813 20 0 GFADRO C[NH2+]C[C@H](C)c1noc(-c2ncc(Br)cc2Br)n1 ZINC000842584454 661344644 /nfs/dbraw/zinc/34/46/44/661344644.db2.gz ZKKPZTMEPLOLRO-LURJTMIESA-N 1 0 376.052 2.980 20 0 GFADRO [NH3+]C1(c2noc(-c3cn(-c4ccccc4Br)nn3)n2)CCCC1 ZINC000842588301 661344831 /nfs/dbraw/zinc/34/48/31/661344831.db2.gz OXYYJOROOCUYDX-UHFFFAOYSA-N 1 0 375.230 2.808 20 0 GFADRO Cn1cc([C@H](O)C[NH2+]Cc2cc(OC(F)F)ccc2Br)cn1 ZINC000842683709 661349124 /nfs/dbraw/zinc/34/91/24/661349124.db2.gz BETVBXHIFJROBQ-CYBMUJFWSA-N 1 0 376.201 2.607 20 0 GFADRO [NH3+]CCc1ccc(CNS(=O)(=O)Cc2ccc(Br)cc2)cc1 ZINC000842701554 661349950 /nfs/dbraw/zinc/34/99/50/661349950.db2.gz MXRLHQSIMMJBQA-UHFFFAOYSA-N 1 0 383.311 2.570 20 0 GFADRO COC(=O)c1sc(S(=O)(=O)N[C@@H](C[NH3+])C2CCCCC2)c(C)c1Cl ZINC000842723256 661351175 /nfs/dbraw/zinc/35/11/75/661351175.db2.gz WAYSEGHKUDZTCZ-NSHDSACASA-N 1 0 394.946 2.682 20 0 GFADRO COC(=O)c1sc(S(=O)(=O)N[C@](C)(C[NH3+])CC(C)C)c(C)c1Cl ZINC000842723783 661351253 /nfs/dbraw/zinc/35/12/53/661351253.db2.gz ZDWDHZYXOUTXIA-AWEZNQCLSA-N 1 0 382.935 2.538 20 0 GFADRO CCN(OC)C(=O)C[NH2+]Cc1cc(Br)cc(Br)c1 ZINC000842769688 661353324 /nfs/dbraw/zinc/35/33/24/661353324.db2.gz SQEKSDDIBXPRSF-UHFFFAOYSA-N 1 0 380.080 2.711 20 0 GFADRO O=S(=O)(c1ccc2nc(Cl)sc2c1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000842870117 661357818 /nfs/dbraw/zinc/35/78/18/661357818.db2.gz SREXDGHWNZQDNI-LBPRGKRZSA-N 1 0 385.942 2.960 20 0 GFADRO O=S(=O)(c1c(Cl)ccnc1Cl)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000842875203 661358308 /nfs/dbraw/zinc/35/83/08/661358308.db2.gz MKMDAPBGLXLMQB-RYUDHWBXSA-N 1 0 378.325 2.789 20 0 GFADRO COc1ccc2nc(Cl)ccc2c1S(=O)(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000842893980 661359173 /nfs/dbraw/zinc/35/91/73/661359173.db2.gz DVCGSACOAFMEOM-LBPRGKRZSA-N 1 0 383.901 2.707 20 0 GFADRO O[C@@H](C[NH2+]C[C@H](O)COc1cccc(F)c1)c1ccc(Br)cc1 ZINC000843066004 661365968 /nfs/dbraw/zinc/36/59/68/661365968.db2.gz OMNHZDXLUYROQY-RDJZCZTQSA-N 1 0 384.245 2.651 20 0 GFADRO O[C@H](C[NH2+]C[C@H](O)c1ccccc1Br)COCc1cccs1 ZINC000843096503 661367763 /nfs/dbraw/zinc/36/77/63/661367763.db2.gz TXXHTPKMTQPPKC-WBMJQRKESA-N 1 0 386.311 2.711 20 0 GFADRO Cc1ccc(OC[C@@H](O)C[NH2+]C[C@@H](O)c2cccc(Br)c2)cc1 ZINC000843112287 661369035 /nfs/dbraw/zinc/36/90/35/661369035.db2.gz FZTMCADLUCWMGW-FUHWJXTLSA-N 1 0 380.282 2.820 20 0 GFADRO COc1ccc(Br)cc1C[C@@H](CO)C[NH2+]C[C@@H](O)c1ccccc1 ZINC000843115590 661369342 /nfs/dbraw/zinc/36/93/42/661369342.db2.gz HEMYDHYHCWOSSW-RDTXWAMCSA-N 1 0 394.309 2.932 20 0 GFADRO Brc1cc(-c2nc(CC3CC[NH2+]CC3)no2)cc2c1OCCO2 ZINC000843133313 661370284 /nfs/dbraw/zinc/37/02/84/661370284.db2.gz QSSWDQRMXNSHFN-UHFFFAOYSA-N 1 0 380.242 2.812 20 0 GFADRO C[NH2+]CCCc1nc(Cc2cccc(F)c2I)no1 ZINC000843210100 661372947 /nfs/dbraw/zinc/37/29/47/661372947.db2.gz UCVFUZWTANGAMW-UHFFFAOYSA-N 1 0 375.185 2.556 20 0 GFADRO O=C(Cc1noc(C[C@@H]2CSCC[NH2+]2)n1)Nc1cc(Cl)cc(Cl)c1 ZINC000843217570 661373489 /nfs/dbraw/zinc/37/34/89/661373489.db2.gz QOJOQMLTNVMTDG-GFCCVEGCSA-N 1 0 387.292 2.805 20 0 GFADRO O=C(CO[C@@H]1CCC[NH2+]C1)Nc1nnc(SCc2ccc(F)cc2)s1 ZINC000843359979 661378675 /nfs/dbraw/zinc/37/86/75/661378675.db2.gz NWJQVIGMAIATHZ-CYBMUJFWSA-N 1 0 382.486 2.677 20 0 GFADRO C[C@@H](C[C@H](C)[NH2+]Cc1c(Br)cnn1C)NC(=O)OC(C)(C)C ZINC000843417176 661380846 /nfs/dbraw/zinc/38/08/46/661380846.db2.gz QGTGMBWKABSIIE-QWRGUYRKSA-N 1 0 375.311 2.964 20 0 GFADRO O=C(CCOc1cccc(Br)c1)Nc1cnn(C2CC[NH2+]CC2)c1 ZINC000843456334 661382113 /nfs/dbraw/zinc/38/21/13/661382113.db2.gz RGTGQJVOEFWSQE-UHFFFAOYSA-N 1 0 393.285 2.978 20 0 GFADRO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)N[C@@H](CC[NH3+])C(F)F ZINC000843485283 661383170 /nfs/dbraw/zinc/38/31/70/661383170.db2.gz ZLFYZAYWRUFUQQ-JTQLQIEISA-N 1 0 389.196 2.576 20 0 GFADRO O=C(N[C@H]1C[NH2+]CCC1(F)F)c1cc2c(cncc2Br)s1 ZINC000843485973 661383173 /nfs/dbraw/zinc/38/31/73/661383173.db2.gz WORJCNFUPKLKEJ-NSHDSACASA-N 1 0 376.226 2.786 20 0 GFADRO O=C(CO[C@@H]1CCC[NH2+]C1)N[C@H]1CCCN(c2ccc(Cl)cc2Cl)C1 ZINC000843496029 661383578 /nfs/dbraw/zinc/38/35/78/661383578.db2.gz SPDGRFSVAPIXCH-LSDHHAIUSA-N 1 0 386.323 2.847 20 0 GFADRO COCC[N@H+]1[C@H](C)CN(C(=O)Cc2cscc2Br)C[C@@H]1C ZINC000844023049 661400900 /nfs/dbraw/zinc/40/09/00/661400900.db2.gz MHDKEEZPGYLUPO-TXEJJXNPSA-N 1 0 375.332 2.621 20 0 GFADRO C[NH+]1CCC2(CC1)CN(C(=O)c1cc(C(F)(F)F)cc(Cl)n1)CCO2 ZINC000844095525 661404391 /nfs/dbraw/zinc/40/43/91/661404391.db2.gz YOQNGJHHPSYJTB-UHFFFAOYSA-N 1 0 377.794 2.691 20 0 GFADRO O=C1CCc2cc(OC[C@H](O)C[NH2+]CCC[C@H]3CC3(Cl)Cl)ccc2N1 ZINC000844280066 661412480 /nfs/dbraw/zinc/41/24/80/661412480.db2.gz UMYOLLQKNNQIGD-UONOGXRCSA-N 1 0 387.307 2.875 20 0 GFADRO CC[N@H+](C[C@@H]1CCOC1)CN1CC(c2ccc(Br)cc2)=CC1=O ZINC000844695568 661434752 /nfs/dbraw/zinc/43/47/52/661434752.db2.gz VWKSMKHDCQTYTL-AWEZNQCLSA-N 1 0 379.298 2.991 20 0 GFADRO CC(C)(c1noc([C@]23C[NH2+]C[C@H]2COC3)n1)c1ccccc1Br ZINC000844919766 661449251 /nfs/dbraw/zinc/44/92/51/661449251.db2.gz LZIDMCGDEVSZKH-GTNSWQLSSA-N 1 0 378.270 2.645 20 0 GFADRO CCOC(=O)C1CCN(C(=O)C[C@H](C)[NH2+]CC[C@]2(C)C[C@@]2(F)Cl)CC1 ZINC000846036123 661526065 /nfs/dbraw/zinc/52/60/65/661526065.db2.gz VXKLGNTWIRSFFN-VHSSKADRSA-N 1 0 376.900 2.861 20 0 GFADRO C[C@]1(CCNC(=O)N2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)CC1(Cl)Cl ZINC000846169894 661534907 /nfs/dbraw/zinc/53/49/07/661534907.db2.gz GUWRNOGBSVYNTH-NHIYQJMISA-N 1 0 378.344 2.888 20 0 GFADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@@H](C)[C@](C)(O)c1ccccc1 ZINC000846187321 661537365 /nfs/dbraw/zinc/53/73/65/661537365.db2.gz KKQWTRKUWLHPNY-GLJUWKHASA-N 1 0 379.298 2.885 20 0 GFADRO C[NH2+]Cc1ccccc1CNC(=O)NC[C@@H](O)c1ccccc1Br ZINC000846207062 661538431 /nfs/dbraw/zinc/53/84/31/661538431.db2.gz XWUPWTVRKVSWER-QGZVFWFLSA-N 1 0 392.297 2.701 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(C(=O)NCCC[C@@H]3CC3(Cl)Cl)C2)C1 ZINC000846210333 661538438 /nfs/dbraw/zinc/53/84/38/661538438.db2.gz YRLJBVMCBFTFAN-TUVASFSCSA-N 1 0 378.344 2.888 20 0 GFADRO Cc1cc(Br)ncc1NC(=O)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000846307093 661544225 /nfs/dbraw/zinc/54/42/25/661544225.db2.gz NALZSHZHTABQRZ-GZBFAFLISA-N 1 0 397.317 2.903 20 0 GFADRO Cc1n[nH]c(C(=O)N[C@]2(C)CC[N@H+](Cc3ccccc3)C2)c1Br ZINC000846591881 661558816 /nfs/dbraw/zinc/55/88/16/661558816.db2.gz HPUZYWQRIYGSNK-QGZVFWFLSA-N 1 0 377.286 2.875 20 0 GFADRO C[C@H]1CCCN(C(=O)c2cn(-c3ccccc3Br)nn2)[C@@H]1CC[NH3+] ZINC000846694160 661561991 /nfs/dbraw/zinc/56/19/91/661561991.db2.gz NODGNWLXZIDKKG-SWLSCSKDSA-N 1 0 392.301 2.619 20 0 GFADRO C[C@]1(CCNC(=O)C(=O)NCCCCC[NH+]2CCCCC2)C[C@@]1(F)Cl ZINC000846728853 661563226 /nfs/dbraw/zinc/56/32/26/661563226.db2.gz BQUMETRKJICKMK-ROUUACIJSA-N 1 0 375.916 2.580 20 0 GFADRO COC(=O)/C=C1/SCC(=O)N1CCC[NH2+][C@@H](C)C1CCC(F)(F)CC1 ZINC000847072503 661575388 /nfs/dbraw/zinc/57/53/88/661575388.db2.gz CHTLBIKHVSZQIL-XBUHWIKASA-N 1 0 376.469 2.770 20 0 GFADRO O=C(Nc1cccnc1Br)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000847158517 661577768 /nfs/dbraw/zinc/57/77/68/661577768.db2.gz NXONQOKSLCGOJM-ZDUSSCGKSA-N 1 0 383.290 2.563 20 0 GFADRO Cc1nc(Br)ccc1NC(=O)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000847165703 661578442 /nfs/dbraw/zinc/57/84/42/661578442.db2.gz WQTXZPATLSFUTD-CQSZACIVSA-N 1 0 397.317 2.871 20 0 GFADRO Cc1nc(SC(F)F)sc1CC(=O)NC[C@@H](C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000847179946 661580036 /nfs/dbraw/zinc/58/00/36/661580036.db2.gz YIFNBVKCKVKQHT-MXWKQRLJSA-N 1 0 393.525 2.923 20 0 GFADRO COCC[NH+]1CCC(OC(=O)C2=Cc3cc(Br)ccc3OC2)CC1 ZINC000847880953 661615086 /nfs/dbraw/zinc/61/50/86/661615086.db2.gz DMRRLCYYHAUWFZ-UHFFFAOYSA-N 1 0 396.281 2.879 20 0 GFADRO O=C(Nc1cccc(C[N@H+]2CC[C@@H](O)C2)c1)c1nc(F)ccc1Br ZINC000848107913 661625508 /nfs/dbraw/zinc/62/55/08/661625508.db2.gz URQBXHYRLVBCEK-CYBMUJFWSA-N 1 0 394.244 2.802 20 0 GFADRO CN(Cc1csc(C(C)(C)O)n1)C(=O)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000848209102 661632998 /nfs/dbraw/zinc/63/29/98/661632998.db2.gz IOAWQUMJXCXNGW-OAHLLOKOSA-N 1 0 383.583 2.546 20 0 GFADRO C[C@@H](C[NH2+]Cc1ccccc1I)N1C[C@@H](C)O[C@@H](C)C1 ZINC000848562909 661665173 /nfs/dbraw/zinc/66/51/73/661665173.db2.gz MDBICPXFZFCXSK-MELADBBJSA-N 1 0 388.293 2.879 20 0 GFADRO C[C@H](C[NH2+]C[C@H](O)c1ccc(F)c(Br)c1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000848676611 661671861 /nfs/dbraw/zinc/67/18/61/661671861.db2.gz PNZXDXBEOPIUNS-FJZAXULXSA-N 1 0 389.309 2.709 20 0 GFADRO Cc1cccc([C@H]2C(=O)NCCN2C[C@H](O)c2ccc(Br)cc2)c1 ZINC000848950803 661689946 /nfs/dbraw/zinc/68/99/46/661689946.db2.gz KRDMKSHOFJBACT-ROUUACIJSA-N 1 0 389.293 2.964 20 0 GFADRO O[C@H](C[NH2+]C[C@]12OCCC[C@H]1C2(F)F)COc1ccc(Br)cc1 ZINC000849330527 661706026 /nfs/dbraw/zinc/70/60/26/661706026.db2.gz UOARNWBUDWIOCQ-YUELXQCFSA-N 1 0 392.240 2.593 20 0 GFADRO O=S(=O)(Cc1cc(F)ccc1Cl)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000849375186 661711437 /nfs/dbraw/zinc/71/14/37/661711437.db2.gz PWULHMJIALMHBU-INIZCTEOSA-N 1 0 390.908 2.542 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@H](NS(=O)(=O)c2cc(Br)cnc2Cl)C1 ZINC000849419794 661720520 /nfs/dbraw/zinc/72/05/20/661720520.db2.gz PBFQVZGTMYPWTL-JTQLQIEISA-N 1 0 396.738 2.649 20 0 GFADRO C[C@@H]1C[C@@H]([NH2+]CCS(=O)(=O)CC(F)(F)F)CCN1Cc1ccccc1 ZINC000850365935 661772926 /nfs/dbraw/zinc/77/29/26/661772926.db2.gz UHJOVZPXZNEQPH-ZBFHGGJFSA-N 1 0 378.460 2.606 20 0 GFADRO C[C@H]([NH2+]CCNS(=O)(=O)Cc1ccccc1)c1cncc(Br)c1 ZINC000850423807 661775691 /nfs/dbraw/zinc/77/56/91/661775691.db2.gz BNPNRVRGAKENMP-ZDUSSCGKSA-N 1 0 398.326 2.614 20 0 GFADRO CSC[C@H](CCO)[NH2+][C@H]1CCN(C(=O)C(F)(F)F)Cc2ccccc21 ZINC000850438189 661776214 /nfs/dbraw/zinc/77/62/14/661776214.db2.gz WLHPBYDFSCZOBE-ZFWWWQNUSA-N 1 0 376.444 2.726 20 0 GFADRO CC(C)[C@H]([NH2+]CCOCCS(C)(=O)=O)c1cc(F)cc(Br)c1 ZINC000850445904 661776707 /nfs/dbraw/zinc/77/67/07/661776707.db2.gz XPFYRFYXPJIMAH-HNNXBMFYSA-N 1 0 396.322 2.936 20 0 GFADRO CCOC(=O)[C@@H]1[C@@H]([NH2+]CCC2SCCS2)CCN1C(=O)OC(C)(C)C ZINC000850568616 661781789 /nfs/dbraw/zinc/78/17/89/661781789.db2.gz CPGOVZZFFWNEIH-JSGCOSHPSA-N 1 0 390.571 2.713 20 0 GFADRO CN1CCN(Cc2ccccc2)[C@H](C[NH2+][C@@H]2CC[C@@H]3SCCS[C@H]23)C1 ZINC000850576087 661781837 /nfs/dbraw/zinc/78/18/37/661781837.db2.gz HGLULEZOXGMSNC-YSTOQKLRSA-N 1 0 377.623 2.772 20 0 GFADRO O=S(=O)(c1ccc(Cl)nc1Cl)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000850589242 661782687 /nfs/dbraw/zinc/78/26/87/661782687.db2.gz KCIYJMHOYUDRLP-LBPRGKRZSA-N 1 0 378.325 2.789 20 0 GFADRO O=S(=O)(N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)c1c(Cl)ccnc1Cl ZINC000850590679 661782740 /nfs/dbraw/zinc/78/27/40/661782740.db2.gz UBZNCOKCROXLLJ-TZMCWYRMSA-N 1 0 386.304 2.812 20 0 GFADRO CS(=O)(=O)c1cc(C(=O)N2CCC([C@@H]3CCC[NH2+]C3)CC2)ccc1Cl ZINC000850721927 661788659 /nfs/dbraw/zinc/78/86/59/661788659.db2.gz WBOUQCDRELIPRQ-OAHLLOKOSA-N 1 0 384.929 2.595 20 0 GFADRO Cc1cc(Br)c(Cl)cc1NC(=O)C(=O)N1CCC[C@H](C[NH3+])C1 ZINC000850822064 661791996 /nfs/dbraw/zinc/79/19/96/661791996.db2.gz XLAVKLWUQWMVGT-SNVBAGLBSA-N 1 0 388.693 2.547 20 0 GFADRO C[NH2+]C[C@@H](C)NC(=O)C(=O)Nc1ccccc1SC[C@@H]1CC1(Cl)Cl ZINC000850867643 661793910 /nfs/dbraw/zinc/79/39/10/661793910.db2.gz PONJYOFPBLJMTC-MNOVXSKESA-N 1 0 390.336 2.635 20 0 GFADRO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)NCCC2SCCS2)cc1 ZINC000851673880 661827994 /nfs/dbraw/zinc/82/79/94/661827994.db2.gz UNFHGLRRWAUKTI-HOTGVXAUSA-N 1 0 381.567 2.636 20 0 GFADRO CCOP(=O)(OCC)[C@@H](O)C[N@H+](C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000851794104 661832548 /nfs/dbraw/zinc/83/25/48/661832548.db2.gz DHPUTRMMKAFQCU-ZIAGYGMSSA-N 1 0 380.422 2.512 20 0 GFADRO CCOP(=O)(OCC)[C@@H](O)C[NH+]1CCC(OC[C@H]2CCCCO2)CC1 ZINC000851803586 661833043 /nfs/dbraw/zinc/83/30/43/661833043.db2.gz SISGPKAMPPKVJC-IAGOWNOFSA-N 1 0 379.434 2.621 20 0 GFADRO O=C(Nc1ccc(Br)cn1)C1CC[NH+](CCOC(F)F)CC1 ZINC000851825202 661835239 /nfs/dbraw/zinc/83/52/39/661835239.db2.gz DPUMVWNGKYTUJP-UHFFFAOYSA-N 1 0 378.217 2.734 20 0 GFADRO CC[C@H]1Oc2cc([C@@H](C)[NH2+]CCn3cnc(Br)n3)ccc2NC1=O ZINC000851904425 661845534 /nfs/dbraw/zinc/84/55/34/661845534.db2.gz WLQSPKHUBGJXBQ-ZWNOBZJWSA-N 1 0 394.273 2.501 20 0 GFADRO CC(C)OC(=O)C[C@H]([NH2+]CCn1cnc(Br)n1)c1ccccc1 ZINC000851921599 661846002 /nfs/dbraw/zinc/84/60/02/661846002.db2.gz WMESRGVKBLDGDR-AWEZNQCLSA-N 1 0 381.274 2.713 20 0 GFADRO CC(C)C[NH2+]C1(CO)CCN(C[C@@H](O)c2ccccc2Br)CC1 ZINC000852122835 661853733 /nfs/dbraw/zinc/85/37/33/661853733.db2.gz CIKPCDNNLUGOEX-QGZVFWFLSA-N 1 0 385.346 2.555 20 0 GFADRO CC(C)C[NH2+]C1(CO)CCN(C[C@@H](O)c2ccc(Br)cc2)CC1 ZINC000852122087 661853737 /nfs/dbraw/zinc/85/37/37/661853737.db2.gz GAGCBBDBJCSSHN-QGZVFWFLSA-N 1 0 385.346 2.555 20 0 GFADRO CO[C@H](C[N@@H+]1CC[C@@]2(C)[C@@H](C1)C2(Br)Br)[C@H]1CCOC1 ZINC000852334978 661860672 /nfs/dbraw/zinc/86/06/72/661860672.db2.gz DIYHLPJHSZDWAI-LOWDOPEQSA-N 1 0 397.151 2.866 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)NC[C@@H](O)c1cccc(Br)c1 ZINC000852411533 661863688 /nfs/dbraw/zinc/86/36/88/661863688.db2.gz HBYLWMDVWQQDIQ-HUUCEWRRSA-N 1 0 384.318 2.655 20 0 GFADRO O=C(NCC1CC[NH+](Cc2ccncc2)CC1)N1CCC=C(Br)C1 ZINC000852521498 661866185 /nfs/dbraw/zinc/86/61/85/661866185.db2.gz ZTZGALUILAGUBP-UHFFFAOYSA-N 1 0 393.329 2.988 20 0 GFADRO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)c1cnn(-c2ccccc2)c1Br ZINC000852798637 661874666 /nfs/dbraw/zinc/87/46/66/661874666.db2.gz MSYFZUHWGHRVDN-SWLSCSKDSA-N 1 0 377.286 2.882 20 0 GFADRO CC(C)(C)n1ncc(C(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1Br ZINC000852819708 661875268 /nfs/dbraw/zinc/87/52/68/661875268.db2.gz FWEROXCAFNGLKT-CHWSQXEVSA-N 1 0 383.334 2.862 20 0 GFADRO CCc1ccc([C@@H]2C[NH2+]CCN2C(=O)c2cnn(C)c2Br)cc1 ZINC000852877661 661876198 /nfs/dbraw/zinc/87/61/98/661876198.db2.gz IRBPMYFPUOTBME-HNNXBMFYSA-N 1 0 377.286 2.532 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)N1CCn2ncc(Br)c2C1)c1cccs1 ZINC000853013174 661878590 /nfs/dbraw/zinc/87/85/90/661878590.db2.gz OFIMYZVVTKDPQD-GFCCVEGCSA-N 1 0 398.330 2.535 20 0 GFADRO S=C(Nc1cccc(Br)c1)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000853028765 661878985 /nfs/dbraw/zinc/87/89/85/661878985.db2.gz GHQDOBPOMCVBII-OAHLLOKOSA-N 1 0 384.343 2.989 20 0 GFADRO C[NH+]1CCC(CNC(=S)NC[C@@H](O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000853031827 661879126 /nfs/dbraw/zinc/87/91/26/661879126.db2.gz NXJIIEZZOQADGL-OAHLLOKOSA-N 1 0 376.353 2.833 20 0 GFADRO CN([C@@H](C[NH3+])C(F)(F)F)S(=O)(=O)/C=C\c1ccccc1Br ZINC000853080714 661881678 /nfs/dbraw/zinc/88/16/78/661881678.db2.gz DKWYJGHNJSDVJN-ZADCQDASSA-N 1 0 387.221 2.571 20 0 GFADRO C[NH+](C)CC(=O)N1CCN(c2nc(Cl)c(C(F)(F)F)cc2Cl)CC1 ZINC000853142710 661883584 /nfs/dbraw/zinc/88/35/84/661883584.db2.gz WRYSZKOCDIZQHR-UHFFFAOYSA-N 1 0 385.217 2.617 20 0 GFADRO Clc1nc2c(Br)c[nH]c2c(NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)n1 ZINC000853240361 661885929 /nfs/dbraw/zinc/88/59/29/661885929.db2.gz BHPMUXVJVLIXHE-IUCAKERBSA-N 1 0 386.681 2.649 20 0 GFADRO CS[C@@H]1CN(c2nc(Cl)nc3c(Br)c[nH]c32)C[C@@H]1[NH+](C)C ZINC000853461579 661889496 /nfs/dbraw/zinc/88/94/96/661889496.db2.gz VFKBBMILSAZMGN-DTWKUNHWSA-N 1 0 390.738 2.856 20 0 GFADRO C[NH+](C)CCC[C@H]1CN(Cn2nc(Cc3cccs3)oc2=S)CCO1 ZINC000853624609 661895524 /nfs/dbraw/zinc/89/55/24/661895524.db2.gz KTQZGRCRANQYJR-AWEZNQCLSA-N 1 0 382.555 2.858 20 0 GFADRO CN(C)C(=O)CN(CC[NH+](C)C)c1nc(Cl)c(C(F)(F)F)cc1Cl ZINC000853833544 661903477 /nfs/dbraw/zinc/90/34/77/661903477.db2.gz OILOYGAVYCQLLJ-UHFFFAOYSA-N 1 0 387.233 2.863 20 0 GFADRO C[C@H](OC(=O)[C@H]1CC1(Cl)Cl)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000854289049 661922013 /nfs/dbraw/zinc/92/20/13/661922013.db2.gz IOHSNKQDUHMNKE-AEGPPILISA-N 1 0 385.291 2.503 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)C1 ZINC000854314932 661924287 /nfs/dbraw/zinc/92/42/87/661924287.db2.gz UFFCMZBRQLPANS-GFCCVEGCSA-N 1 0 375.441 2.677 20 0 GFADRO C[C@@H]1CN(C(=O)[C@]2(C)CC2(Br)Br)CC[N@@H+](C2CC2)C1 ZINC000854677779 661947293 /nfs/dbraw/zinc/94/72/93/661947293.db2.gz OTQHGBZRNPCOAC-GWCFXTLKSA-N 1 0 394.151 2.825 20 0 GFADRO Cc1nc(SCC(C)C)sc1CC(=O)NC[C@H]1CCC[N@@H+]1CCCO ZINC000854689701 661947847 /nfs/dbraw/zinc/94/78/47/661947847.db2.gz HRYARYYFIKDZAL-OAHLLOKOSA-N 1 0 385.599 2.705 20 0 GFADRO C[NH+](C)CCOc1ccc(/C=C/C(=O)NCc2cc(Br)no2)cc1 ZINC000854706828 661949014 /nfs/dbraw/zinc/94/90/14/661949014.db2.gz WAJUTMQBPRAPDW-VMPITWQZSA-N 1 0 394.269 2.707 20 0 GFADRO C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1cnn(C(C)(C)C)c1Br)C2 ZINC000854735207 661952449 /nfs/dbraw/zinc/95/24/49/661952449.db2.gz LFZBEHSDHSXPJV-QGZVFWFLSA-N 1 0 383.334 2.959 20 0 GFADRO C[C@@](CO)(NC(=O)C1CC[NH+](C2CC2)CC1)c1ccc(Br)cc1 ZINC000855106408 661970307 /nfs/dbraw/zinc/97/03/07/661970307.db2.gz NLRFTXZJSYFZPQ-SFHVURJKSA-N 1 0 381.314 2.647 20 0 GFADRO O=C(NCC[S@](=O)CC(F)(F)F)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000855267925 661979465 /nfs/dbraw/zinc/97/94/65/661979465.db2.gz FZXJPUAERFMGDW-VWLOTQADSA-N 1 0 376.444 2.713 20 0 GFADRO C[NH+](C)CCC[C@H]1CN(C(=O)c2cc(Cl)nc(C(F)(F)F)c2)CCO1 ZINC000856430128 662033663 /nfs/dbraw/zinc/03/36/63/662033663.db2.gz ROICVUPFFLULSC-LBPRGKRZSA-N 1 0 379.810 2.937 20 0 GFADRO CC[N@H+](C)Cc1cc(O[C@H]2CCN(C(=O)c3scnc3Cl)C2)ccn1 ZINC000856637535 662037740 /nfs/dbraw/zinc/03/77/40/662037740.db2.gz QVQLAXNGZGALHT-AWEZNQCLSA-N 1 0 380.901 2.937 20 0 GFADRO Brc1cnc(NCCC[NH+]2CCN(c3ccccc3)CC2)cn1 ZINC000856722866 662038458 /nfs/dbraw/zinc/03/84/58/662038458.db2.gz BARJIDAUNDURDA-UHFFFAOYSA-N 1 0 376.302 2.863 20 0 GFADRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)N2CC(O)(c3cccc(Br)c3)C2)C1 ZINC000856875454 662048973 /nfs/dbraw/zinc/04/89/73/662048973.db2.gz HTPWIMWMCMDGKH-HOTGVXAUSA-N 1 0 396.329 2.535 20 0 GFADRO CC(C)[NH+]1CCN(C2CCN(C(=O)NCC[C@@H]3CC3(Cl)Cl)CC2)CC1 ZINC000856946796 662053622 /nfs/dbraw/zinc/05/36/22/662053622.db2.gz RHTWDEXIWSRPJK-OAHLLOKOSA-N 1 0 391.387 2.770 20 0 GFADRO C[N@@H+]1CCC[C@H](c2cccc(C(=O)NCCn3cc(Br)cn3)c2)C1 ZINC000857257426 662070705 /nfs/dbraw/zinc/07/07/05/662070705.db2.gz XOMJQQKIKOARLX-INIZCTEOSA-N 1 0 391.313 2.885 20 0 GFADRO O=C(N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1)c1nc(Br)cs1 ZINC000857769333 662090161 /nfs/dbraw/zinc/09/01/61/662090161.db2.gz IBKDKWBLSQRGQS-RYUDHWBXSA-N 1 0 384.274 2.920 20 0 GFADRO COc1ccc(C[C@H](CO)C[NH2+]Cc2ccnc(F)c2)cc1Br ZINC000858174715 662103301 /nfs/dbraw/zinc/10/33/01/662103301.db2.gz UPAHEVOWVLMAOF-AWEZNQCLSA-N 1 0 383.261 2.933 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)c1cc(Br)cnc1F)Cc1ccccc1 ZINC000858178327 662103337 /nfs/dbraw/zinc/10/33/37/662103337.db2.gz UTDQPBUKSDOADK-AWEZNQCLSA-N 1 0 380.261 2.886 20 0 GFADRO COc1ccc(CN2CC[C@@H]2C[NH2+]Cc2cc(Br)nn2C)cc1 ZINC000858238230 662105646 /nfs/dbraw/zinc/10/56/46/662105646.db2.gz RIKUYKYDGYAKNV-CQSZACIVSA-N 1 0 379.302 2.555 20 0 GFADRO CS(=O)(=O)CCOCC[NH2+][C@H]1CCCC[C@@H]1Sc1ccc(F)cc1 ZINC000858383398 662110344 /nfs/dbraw/zinc/11/03/44/662110344.db2.gz XRVCARIBRZIQQZ-IRXDYDNUSA-N 1 0 375.531 2.880 20 0 GFADRO Cn1nc(Cl)c(-c2nc(-c3ccnc(OCC[NH+](C)C)c3)no2)c1Cl ZINC000858721127 662120178 /nfs/dbraw/zinc/12/01/78/662120178.db2.gz PXPGVLLUYUZDHR-UHFFFAOYSA-N 1 0 383.239 2.779 20 0 GFADRO C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@H]1CCOC(=O)N1 ZINC000858760302 662122068 /nfs/dbraw/zinc/12/20/68/662122068.db2.gz ORNHBNCMLXYYAO-OAHLLOKOSA-N 1 0 388.295 2.772 20 0 GFADRO C[N@@H+]1CCCC[C@@H](CNC(=O)NC[C@H](O)c2ccccc2Br)C1 ZINC000858766503 662122269 /nfs/dbraw/zinc/12/22/69/662122269.db2.gz NVWNCZBAKDLATN-BBRMVZONSA-N 1 0 384.318 2.514 20 0 GFADRO CC[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2ccc(NC(=O)OC)c(Cl)c2)C1 ZINC000858929978 662127924 /nfs/dbraw/zinc/12/79/24/662127924.db2.gz GVUWGAVGGPJVQJ-LBPRGKRZSA-N 1 0 389.905 2.529 20 0 GFADRO OC[C@]1([NH2+]Cc2ccc3nonc3c2)CCc2cc(Br)ccc2C1 ZINC000859574032 662168252 /nfs/dbraw/zinc/16/82/52/662168252.db2.gz GHPWZCYRFMOKBJ-SFHVURJKSA-N 1 0 388.265 2.995 20 0 GFADRO O=C(NCCCC[N@H+]1CCC[C@@H]1CO)c1ccc(SC(F)(F)F)nc1 ZINC000860254329 662194222 /nfs/dbraw/zinc/19/42/22/662194222.db2.gz MFZFPMFWSMCISY-CYBMUJFWSA-N 1 0 377.432 2.660 20 0 GFADRO COc1cc(C(=O)OC[C@]2(C)C[C@H](OC)C[N@@H+]2C)sc1Br ZINC000861351207 662241623 /nfs/dbraw/zinc/24/16/23/662241623.db2.gz SUHGIIJMLDWMDB-XPTSAGLGSA-N 1 0 378.288 2.785 20 0 GFADRO CO[C@@H]1C[N@H+](C)[C@@](C)(COC(=O)c2cn(C(C)(C)C)nc2Br)C1 ZINC000861349615 662241819 /nfs/dbraw/zinc/24/18/19/662241819.db2.gz UOXYFTBSNMGBKZ-MEDUHNTESA-N 1 0 388.306 2.667 20 0 GFADRO O=C(N[C@H]1CC[NH2+]C12CCC2)N1CCO[C@@H](c2ccccc2Br)C1 ZINC000861662117 662254327 /nfs/dbraw/zinc/25/43/27/662254327.db2.gz NPAXJSMBPRCJLG-CVEARBPZSA-N 1 0 394.313 2.817 20 0 GFADRO C[C@H]([NH3+])CN(C)C(=O)C(=O)NCC1(c2ccc(Cl)cc2Cl)CCCC1 ZINC000861745728 662257317 /nfs/dbraw/zinc/25/73/17/662257317.db2.gz VKWNGZABDHYLJX-LBPRGKRZSA-N 1 0 386.323 2.727 20 0 GFADRO CC[C@@H](C(=O)N1CN(CC[NH+](C)C)C(=O)[C@@H]1C)c1ccc(Br)cc1 ZINC000862100413 662269082 /nfs/dbraw/zinc/26/90/82/662269082.db2.gz GZABJVZZBJSZHC-XJKSGUPXSA-N 1 0 396.329 2.521 20 0 GFADRO Cc1cc(C[N@@H+]2CCC[C@H]2C[C@@]2(C)NC(=O)NC2=O)c(Br)cc1F ZINC000862364882 662282665 /nfs/dbraw/zinc/28/26/65/662282665.db2.gz IRWUZFSGEXSYCV-YVEFUNNKSA-N 1 0 398.276 2.849 20 0 GFADRO COc1ccc(C(=O)NC[C@@H]2CC[N@@H+]2C2CCCCC2)nc1Br ZINC000862629679 662294923 /nfs/dbraw/zinc/29/49/23/662294923.db2.gz QADUNWXDWVGCIM-ZDUSSCGKSA-N 1 0 382.302 2.990 20 0 GFADRO F[C@@H](c1nc(Cc2cc(Br)c3c(c2)OCCO3)no1)[C@H]1CC[NH2+]C1 ZINC000863668496 662343210 /nfs/dbraw/zinc/34/32/10/662343210.db2.gz VGIGKOLNARQMFZ-IINYFYTJSA-N 1 0 398.232 2.814 20 0 GFADRO Cn1ncc(I)c1C[NH2+]CC1([C@H]2CCCCO2)CCC1 ZINC000864052203 662352416 /nfs/dbraw/zinc/35/24/16/662352416.db2.gz DIDLUAQBYCDMRH-CQSZACIVSA-N 1 0 389.281 2.854 20 0 GFADRO CSc1cc(C(=O)NCCCN2CC[NH+](C)CC2)ccc1Br ZINC000864587407 662380640 /nfs/dbraw/zinc/38/06/40/662380640.db2.gz AQWLGYWNUOZBGY-UHFFFAOYSA-N 1 0 386.359 2.538 20 0 GFADRO COc1ccc(Cl)c(NC(=S)N2CCC([NH+]3CCN(C)CC3)CC2)c1 ZINC000865267257 662408628 /nfs/dbraw/zinc/40/86/28/662408628.db2.gz JLJJANJXDDMRBQ-UHFFFAOYSA-N 1 0 382.961 2.757 20 0 GFADRO C[C@@H](CN1C(=O)[C@@H](c2ccc(Br)s2)N(C)C1=O)[N@H+](C)C1CC1 ZINC000865301993 662411321 /nfs/dbraw/zinc/41/13/21/662411321.db2.gz MWOYBXVEVVBHAO-TVQRCGJNSA-N 1 0 386.315 2.928 20 0 GFADRO O=S(=O)(N1CCC(C[NH2+]Cc2cnc(Cl)c(F)c2)CC1)C(F)(F)F ZINC000865461656 662423000 /nfs/dbraw/zinc/42/30/00/662423000.db2.gz WUKNFCULCKFDAJ-UHFFFAOYSA-N 1 0 389.802 2.525 20 0 GFADRO CC(=O)NCC1CCC([NH2+]C[C@@H](CO)Cc2ccccc2Br)CC1 ZINC000865543524 662428011 /nfs/dbraw/zinc/42/80/11/662428011.db2.gz PEYKGMFYNZVMBS-PQUAAJSLSA-N 1 0 397.357 2.885 20 0 GFADRO CC(=O)NCC1CCC([NH2+]C[C@H](CO)Cc2ccccc2Br)CC1 ZINC000865543525 662428145 /nfs/dbraw/zinc/42/81/45/662428145.db2.gz PEYKGMFYNZVMBS-UPTPFMHGSA-N 1 0 397.357 2.885 20 0 GFADRO C[NH+](C)[C@H]1CCC[C@@H](Nc2cccc(OC(F)(F)F)c2S(N)(=O)=O)C1 ZINC000865587387 662430819 /nfs/dbraw/zinc/43/08/19/662430819.db2.gz NJRHPRJBCANEHG-MNOVXSKESA-N 1 0 381.420 2.517 20 0 GFADRO O=C(c1cc(Br)cn2ccnc12)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000865590404 662430901 /nfs/dbraw/zinc/43/09/01/662430901.db2.gz XHGDNVRNGGXMCL-CQSZACIVSA-N 1 0 377.286 2.797 20 0 GFADRO COc1ncc(Br)cc1C[NH2+][C@@H]1CCO[C@H](c2nccn2C)C1 ZINC000865595539 662431406 /nfs/dbraw/zinc/43/14/06/662431406.db2.gz BVZDJAZJSJXMBC-KGLIPLIRSA-N 1 0 381.274 2.596 20 0 GFADRO CC(C)(C[NH2+]Cc1oc2ccccc2c1Br)CS(N)(=O)=O ZINC000865814508 662445161 /nfs/dbraw/zinc/44/51/61/662445161.db2.gz WLQMKWOJYMWBHP-UHFFFAOYSA-N 1 0 375.288 2.600 20 0 GFADRO CC(=O)N[C@H](C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1)c1cccc(Br)c1 ZINC000866367440 662469311 /nfs/dbraw/zinc/46/93/11/662469311.db2.gz YISYULSSBPZKCD-ULQDDVLXSA-N 1 0 396.329 2.615 20 0 GFADRO C[C@H]([NH2+]CC[C@H]1CCCS1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000866478257 662475716 /nfs/dbraw/zinc/47/57/16/662475716.db2.gz GJIDLSLMPXHCID-DOTOQJQBSA-N 1 0 384.567 2.644 20 0 GFADRO C[C@@H]([NH2+]Cc1nc(C(F)(F)F)n2c1CCCC2)C1CCS(=O)(=O)CC1 ZINC000866560515 662480350 /nfs/dbraw/zinc/48/03/50/662480350.db2.gz VAJJXFPQIUXRJD-LLVKDONJSA-N 1 0 379.448 2.541 20 0 GFADRO COC[C@H]([NH2+][C@H](C)C1CCS(=O)(=O)CC1)c1cccc(Br)c1 ZINC000866597132 662482721 /nfs/dbraw/zinc/48/27/21/662482721.db2.gz NUJJAYFAKSQOEZ-WBMJQRKESA-N 1 0 390.343 2.940 20 0 GFADRO Brc1cccc2c1C[C@H]([NH2+]C1CCN(C[C@H]3CCCO3)CC1)CO2 ZINC000866594122 662482858 /nfs/dbraw/zinc/48/28/58/662482858.db2.gz AGXBYTIQDZMATL-JKSUJKDBSA-N 1 0 395.341 2.986 20 0 GFADRO Brc1cccc2c1C[C@H]([NH2+]C1CCN(C[C@@H]3CCCO3)CC1)CO2 ZINC000866594120 662482872 /nfs/dbraw/zinc/48/28/72/662482872.db2.gz AGXBYTIQDZMATL-HOTGVXAUSA-N 1 0 395.341 2.986 20 0 GFADRO C/C(=C\c1ccc(Br)o1)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000866609454 662483939 /nfs/dbraw/zinc/48/39/39/662483939.db2.gz KLPYBARJJWPXKX-WONIAPNHSA-N 1 0 383.286 2.815 20 0 GFADRO C[NH2+]C[C@H]1CCCN(S(=O)(=O)c2oc3ccccc3c2Br)C1 ZINC000866733771 662492790 /nfs/dbraw/zinc/49/27/90/662492790.db2.gz CPLFQIKVSPUTON-LLVKDONJSA-N 1 0 387.299 2.815 20 0 GFADRO Cc1ccsc1C(=O)Nc1ccc(OS(=O)(=O)CCC[NH+](C)C)cc1 ZINC000866734432 662492876 /nfs/dbraw/zinc/49/28/76/662492876.db2.gz DXIWXTNZRSUYBV-UHFFFAOYSA-N 1 0 382.507 2.969 20 0 GFADRO [NH3+]C[C@]12CCC[C@H]1CN(S(=O)(=O)c1oc3ccccc3c1Br)C2 ZINC000866775287 662497178 /nfs/dbraw/zinc/49/71/78/662497178.db2.gz ZMRNTAMNYUNILT-ZBEGNZNMSA-N 1 0 399.310 2.945 20 0 GFADRO O=S(=O)(c1ccc(Cl)c(Br)c1)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000866825464 662502195 /nfs/dbraw/zinc/50/21/95/662502195.db2.gz QMONOGIWYYWWBF-OLZOCXBDSA-N 1 0 379.707 2.618 20 0 GFADRO O=S(=O)(c1cccc(Cl)c1Br)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000866825119 662502214 /nfs/dbraw/zinc/50/22/14/662502214.db2.gz PNVGOSAZAVRILP-GHMZBOCLSA-N 1 0 379.707 2.618 20 0 GFADRO C[C@@H](C1CC[NH+](C)CC1)N(C)S(=O)(=O)c1cc2nc(Cl)ncc2s1 ZINC000867064665 662520141 /nfs/dbraw/zinc/52/01/41/662520141.db2.gz PZEWNHIEVXSEHQ-JTQLQIEISA-N 1 0 388.946 2.696 20 0 GFADRO O=S(=O)(/C=C/c1ccccc1Cl)N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000867400105 662547462 /nfs/dbraw/zinc/54/74/62/662547462.db2.gz SVZADWRXWWINDV-OVCLIPMQSA-N 1 0 384.929 2.827 20 0 GFADRO C[NH+]1CCC2(CCN(S(=O)(=O)c3cnccc3C(F)(F)F)CC2)CC1 ZINC000867619642 662563414 /nfs/dbraw/zinc/56/34/14/662563414.db2.gz VJBDCVNHUHVAME-UHFFFAOYSA-N 1 0 377.432 2.597 20 0 GFADRO COc1cc(Cl)c(S(=O)(=O)NC2CCC(C)([NH+](C)C)CC2)cc1OC ZINC000867742133 662571612 /nfs/dbraw/zinc/57/16/12/662571612.db2.gz ASNCQIGOYLVUJY-UHFFFAOYSA-N 1 0 390.933 2.898 20 0 GFADRO Cc1cc(Br)sc1S(=O)(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000867810857 662578720 /nfs/dbraw/zinc/57/87/20/662578720.db2.gz KCVVVNAQYGKRHX-WDEREUQCSA-N 1 0 379.345 2.534 20 0 GFADRO CN1CC[NH+](C2CCN(C(=O)OCc3ccc(Br)cc3)CC2)CC1 ZINC000867816482 662579737 /nfs/dbraw/zinc/57/97/37/662579737.db2.gz INYZYEGGKNPQNC-UHFFFAOYSA-N 1 0 396.329 2.798 20 0 GFADRO CCOC(=O)c1ccc(CNC(=O)[C@H]([NH3+])c2cccc(Br)c2)o1 ZINC000867943954 662588712 /nfs/dbraw/zinc/58/87/12/662588712.db2.gz LGOCVQCYSZIIAR-CQSZACIVSA-N 1 0 381.226 2.535 20 0 GFADRO C[C@@H](NC(=O)c1ccc(-n2cc(Br)cn2)cc1)C1CC[NH2+]CC1 ZINC000868005824 662591103 /nfs/dbraw/zinc/59/11/03/662591103.db2.gz WAJFBRBPZPQXBX-GFCCVEGCSA-N 1 0 377.286 2.753 20 0 GFADRO COCCC1(NC(=O)c2c(F)cc(Br)cc2F)CC[NH2+]CC1 ZINC000868040220 662592259 /nfs/dbraw/zinc/59/22/59/662592259.db2.gz BUQFCQXUFDHGIH-UHFFFAOYSA-N 1 0 377.229 2.616 20 0 GFADRO COCCC1(NC(=O)CCOc2ccc(C)cc2Br)CC[NH2+]CC1 ZINC000868044597 662592372 /nfs/dbraw/zinc/59/23/72/662592372.db2.gz KZJRJCFOUXELPD-UHFFFAOYSA-N 1 0 399.329 2.801 20 0 GFADRO [NH3+]CC12CCC(CC1)N2C(=O)Nc1ccnn1-c1ccc(Br)cn1 ZINC000868156299 662596768 /nfs/dbraw/zinc/59/67/68/662596768.db2.gz ZFLZENQIUKBLPY-UHFFFAOYSA-N 1 0 391.273 2.517 20 0 GFADRO COC(=O)c1cccc(NC(=O)N2CCC[C@@H]3[NH2+]CC[C@H]32)c1Br ZINC000868155281 662596826 /nfs/dbraw/zinc/59/68/26/662596826.db2.gz NIPBSCULPBKSNU-WCQYABFASA-N 1 0 382.258 2.594 20 0 GFADRO COc1c(Cl)cc(NC(=O)C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1Cl ZINC000868306426 662601351 /nfs/dbraw/zinc/60/13/51/662601351.db2.gz VZZOIOYOIZSZNZ-JGPRNRPPSA-N 1 0 386.279 2.587 20 0 GFADRO CC[NH+]1CCC(NC(=O)N[C@@H]2[C@H]3Cc4ccc(Br)cc4[C@@H]23)CC1 ZINC000868351746 662602577 /nfs/dbraw/zinc/60/25/77/662602577.db2.gz FIODORIVGFBDLT-GVDBMIGSSA-N 1 0 378.314 2.871 20 0 GFADRO COC[C@H](NC(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1)c1cccc(Br)c1 ZINC000868374777 662603540 /nfs/dbraw/zinc/60/35/40/662603540.db2.gz UBVQOBFEQGFCNX-KCXAZCMYSA-N 1 0 384.318 2.919 20 0 GFADRO C[NH+](C)CC1(CNC(=O)NCc2ncc(Br)s2)CCCC1 ZINC000868549070 662608921 /nfs/dbraw/zinc/60/89/21/662608921.db2.gz HYRVMDBSIWSYGP-UHFFFAOYSA-N 1 0 375.336 2.827 20 0 GFADRO CCS(=O)(=O)c1ccc(CNC(=O)NC2CCC(C)([NH+](C)C)CC2)s1 ZINC000868558780 662609240 /nfs/dbraw/zinc/60/92/40/662609240.db2.gz OOUKSCWCBRRVFA-UHFFFAOYSA-N 1 0 387.571 2.604 20 0 GFADRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)/C(C)=C\c3ccc(Br)o3)[C@H]2C1 ZINC000868569371 662610132 /nfs/dbraw/zinc/61/01/32/662610132.db2.gz HFVFQPZXQXETMP-IMKYVTMTSA-N 1 0 383.286 2.767 20 0 GFADRO Cn1ncc(Br)c1CNC(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000868876187 662622956 /nfs/dbraw/zinc/62/29/56/662622956.db2.gz GVAWVULTOJBDFN-UHFFFAOYSA-N 1 0 398.349 2.779 20 0 GFADRO O=C(NCc1ncc(Br)s1)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000869195690 662634631 /nfs/dbraw/zinc/63/46/31/662634631.db2.gz YVLLRUWUANGVBN-ZDUSSCGKSA-N 1 0 395.326 2.979 20 0 GFADRO CC(=O)N[C@@H](C(=O)OCCCCC[NH+](C)C)c1cccc(Br)c1 ZINC000870216976 662678636 /nfs/dbraw/zinc/67/86/36/662678636.db2.gz AJOUUFMPELRTCB-MRXNPFEDSA-N 1 0 385.302 2.901 20 0 GFADRO CC1([NH+]2CCCC2)CCN(C(=O)c2sccc2S(=O)(=O)C(F)F)CC1 ZINC000870255892 662680937 /nfs/dbraw/zinc/68/09/37/662680937.db2.gz KWUAUECWLQAUON-UHFFFAOYSA-N 1 0 392.493 2.835 20 0 GFADRO C[C@@H](C[C@@H]1CCCC[N@@H+]1C)OC(=O)c1nccn2c(Br)cnc12 ZINC000870786647 662701553 /nfs/dbraw/zinc/70/15/53/662701553.db2.gz YICRWSYAZLZVEB-RYUDHWBXSA-N 1 0 381.274 2.912 20 0 GFADRO O=C(c1ccc2ccc(Br)cc2c1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000870913996 662707875 /nfs/dbraw/zinc/70/78/75/662707875.db2.gz IDSPBCNTCPCYAI-GOSISDBHSA-N 1 0 388.309 2.722 20 0 GFADRO [NH3+][C@@H](C(=O)NC[C@@H](CCO)c1ccccc1)c1cccc(Br)c1 ZINC000870926141 662708428 /nfs/dbraw/zinc/70/84/28/662708428.db2.gz YPZKTFUCNIFBRW-NVXWUHKLSA-N 1 0 377.282 2.731 20 0 GFADRO O=C(NCC[C@H]1CC[NH2+]C1)c1c(F)ccc(I)c1Cl ZINC000870935434 662708923 /nfs/dbraw/zinc/70/89/23/662708923.db2.gz OUNGSCVDOKEKFA-MRVPVSSYSA-N 1 0 396.631 2.813 20 0 GFADRO [NH3+]CC12CC(C1)CN2C(=O)c1ccc(OC(F)(F)F)cc1Br ZINC000870955713 662711481 /nfs/dbraw/zinc/71/14/81/662711481.db2.gz XRPCUAFPACFOKS-UHFFFAOYSA-N 1 0 379.176 2.911 20 0 GFADRO CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)c2cccnc2I)C1 ZINC000870989108 662712401 /nfs/dbraw/zinc/71/24/01/662712401.db2.gz FGSLJLZNBYKTAY-HNNXBMFYSA-N 1 0 387.265 2.523 20 0 GFADRO Brc1cnc2c(-c3nc(C4C[C@H]5CC[C@@H](C4)[NH2+]5)no3)nccn12 ZINC000871797175 662734294 /nfs/dbraw/zinc/73/42/94/662734294.db2.gz CWKZBYNPAFLTCS-PBINXNQUSA-N 1 0 375.230 2.540 20 0 GFADRO [NH3+]C[C@H]1CN(S(=O)(=O)c2ccc3ccnc(Cl)c3c2)C[C@H]1C(F)(F)F ZINC000871812461 662735178 /nfs/dbraw/zinc/73/51/78/662735178.db2.gz HDFLQNMKUOHMOM-GXFFZTMASA-N 1 0 393.818 2.646 20 0 GFADRO C[NH+](C)[C@@H](CN1C(=O)N[C@H](Cc2cncs2)C1=O)c1ccc(Cl)cc1 ZINC000871896667 662740424 /nfs/dbraw/zinc/74/04/24/662740424.db2.gz AVHNGSRWMRGXNB-CABCVRRESA-N 1 0 378.885 2.562 20 0 GFADRO C[N@@H+]1CCn2nc(N[C@H]3CCN(c4ccc(Cl)cc4Cl)C3=O)cc2C1 ZINC000871927082 662742816 /nfs/dbraw/zinc/74/28/16/662742816.db2.gz PIVGCQQMIYVPHH-AWEZNQCLSA-N 1 0 380.279 2.853 20 0 GFADRO Cc1cc(NC(=O)[C@@H](C)Nc2cc3n(n2)CC[N@H+](C)C3)ccc1Br ZINC000871928986 662742915 /nfs/dbraw/zinc/74/29/15/662742915.db2.gz PCCLMCDZUHQUPS-GFCCVEGCSA-N 1 0 392.301 2.839 20 0 GFADRO Brc1cccc([C@@H]([NH2+]CC2(N3CCOCC3)CC2)[C@H]2CCOC2)c1 ZINC000872065509 662755078 /nfs/dbraw/zinc/75/50/78/662755078.db2.gz CLQQWORKLQFRMU-FUHWJXTLSA-N 1 0 395.341 2.981 20 0 GFADRO OC[C@@H](C[C@@H](O)c1ccccc1)[NH2+]C[C@@H](O)c1ccc(Br)cc1 ZINC000872214750 662758085 /nfs/dbraw/zinc/75/80/85/662758085.db2.gz DIUAIRSSHXZCIF-KZNAEPCWSA-N 1 0 380.282 2.557 20 0 GFADRO CC(=O)N[C@@H](C(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1)c1cccc(Br)c1 ZINC000872276917 662759775 /nfs/dbraw/zinc/75/97/75/662759775.db2.gz UFWCVZUTAXKBFH-HZPDHXFCSA-N 1 0 396.329 2.521 20 0 GFADRO CC1([NH+]2CCCC2)CCN(Cn2nnn(Cc3cccs3)c2=S)CC1 ZINC000872644806 662782543 /nfs/dbraw/zinc/78/25/43/662782543.db2.gz LCXICFSSQYEZIP-UHFFFAOYSA-N 1 0 378.571 2.827 20 0 GFADRO Cc1sc(C[NH2+][C@@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)cc1Br ZINC000873101252 662799874 /nfs/dbraw/zinc/79/98/74/662799874.db2.gz QBZSFDXECYRJJV-RISCZKNCSA-N 1 0 394.356 2.645 20 0 GFADRO Cc1cc(Br)c(F)cc1NC(=O)C(=O)N(C)CCCCCC[NH3+] ZINC000873110380 662800169 /nfs/dbraw/zinc/80/01/69/662800169.db2.gz QSSZZWJKEDPNHG-UHFFFAOYSA-N 1 0 388.281 2.813 20 0 GFADRO COCC[C@@]1([NH2+]Cc2cccc(F)c2I)CCOC1 ZINC000873115062 662800377 /nfs/dbraw/zinc/80/03/77/662800377.db2.gz FDFXQRJUHBAVLD-CQSZACIVSA-N 1 0 379.213 2.716 20 0 GFADRO C[S@](=O)C1(C[NH2+]Cc2cccc(F)c2I)CCC1 ZINC000873120770 662800493 /nfs/dbraw/zinc/80/04/93/662800493.db2.gz ZOIMICPQTPRVQX-SFHVURJKSA-N 1 0 381.254 2.821 20 0 GFADRO Cn1c2ccccc2c(Br)c1C[NH2+]C[C@@H]1CCCS(=O)(=O)C1 ZINC000873127597 662800731 /nfs/dbraw/zinc/80/07/31/662800731.db2.gz USSBUIYBDQVJMK-LBPRGKRZSA-N 1 0 385.327 2.855 20 0 GFADRO NC(=O)[C@H]1CC[C@H](C[NH2+]Cc2cccc(F)c2I)CC1 ZINC000873132046 662801070 /nfs/dbraw/zinc/80/10/70/662801070.db2.gz DUSYHSXPLJONNC-XYPYZODXSA-N 1 0 390.240 2.812 20 0 GFADRO COCCC1(NCc2cnn(-c3ccc(Br)cc3)c2)CC[NH2+]CC1 ZINC000873224629 662803911 /nfs/dbraw/zinc/80/39/11/662803911.db2.gz IWUVCZVIWCFYDJ-UHFFFAOYSA-N 1 0 393.329 2.883 20 0 GFADRO COCCC1(NCc2cn(-c3ccc(Cl)c(Cl)c3)nn2)CC[NH2+]CC1 ZINC000873224729 662803923 /nfs/dbraw/zinc/80/39/23/662803923.db2.gz HDNQKMCSEMHFJS-UHFFFAOYSA-N 1 0 384.311 2.822 20 0 GFADRO COc1ccc(CN2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c(Br)c1O ZINC000873227803 662804269 /nfs/dbraw/zinc/80/42/69/662804269.db2.gz MDEMHFLCNIQNEC-UWVGGRQHSA-N 1 0 383.208 2.732 20 0 GFADRO COc1cc(NC(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)ccc1Br ZINC000873310696 662805133 /nfs/dbraw/zinc/80/51/33/662805133.db2.gz MSQBYZRHJBYXDC-ZDUSSCGKSA-N 1 0 398.301 2.738 20 0 GFADRO CCc1ccc(Br)c(NC(=O)C(=O)NC[C@@H]2CCCC[N@H+](C)C2)c1 ZINC000873954333 662819673 /nfs/dbraw/zinc/81/96/73/662819673.db2.gz JKESSNVVPHOIGD-AWEZNQCLSA-N 1 0 396.329 2.798 20 0 GFADRO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)c1cnn(-c2ccc(Br)cc2)c1 ZINC000874843601 662838303 /nfs/dbraw/zinc/83/83/03/662838303.db2.gz NZCRBTKZAIUILR-IAGOWNOFSA-N 1 0 389.297 2.944 20 0 GFADRO Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)Oc2ccc(Br)cc2)cn1 ZINC000874982573 662840320 /nfs/dbraw/zinc/84/03/20/662840320.db2.gz BWGZRRFFHXUPKD-JKSUJKDBSA-N 1 0 378.270 2.824 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)N[C@@H]1COc2cccc(Br)c2C1 ZINC000875093129 662841769 /nfs/dbraw/zinc/84/17/69/662841769.db2.gz JHPYKJBERSQIAH-RDBSUJKOSA-N 1 0 394.313 2.679 20 0 GFADRO O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)N[C@@H]1COc2cccc(Br)c2C1 ZINC000875093128 662841802 /nfs/dbraw/zinc/84/18/02/662841802.db2.gz JHPYKJBERSQIAH-MELADBBJSA-N 1 0 394.313 2.679 20 0 GFADRO CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)[C@H](F)[C@H]1CC[NH2+]C1 ZINC000876568987 662862963 /nfs/dbraw/zinc/86/29/63/662862963.db2.gz BPHGQHPKYHPENE-IINYFYTJSA-N 1 0 376.259 2.728 20 0 GFADRO CCC(CC)(CNC(=O)c1nnn(C2CC[NH2+]CC2)c1C(F)F)SC ZINC000876690832 662864757 /nfs/dbraw/zinc/86/47/57/662864757.db2.gz SJDGQOFTKQLMFI-UHFFFAOYSA-N 1 0 375.489 2.792 20 0 GFADRO O=C(NC[C@@H]1CCN(c2cccc(Br)c2)C1)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000876736771 662865669 /nfs/dbraw/zinc/86/56/69/662865669.db2.gz MWNQWKSYOMQTIQ-YJLNNSPDSA-N 1 0 392.341 2.924 20 0 GFADRO Nc1ncc(CCC(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)s1 ZINC000876743161 662865748 /nfs/dbraw/zinc/86/57/48/662865748.db2.gz ARBUYMPLIWKUQL-UHFFFAOYSA-N 1 0 376.551 2.888 20 0 GFADRO C[N@H+](CCCNC(=O)OC(C)(C)C)Cc1cnn2cc(Br)cnc12 ZINC000876755110 662865903 /nfs/dbraw/zinc/86/59/03/662865903.db2.gz RQRAWYZQKPEASO-UHFFFAOYSA-N 1 0 398.305 2.838 20 0 GFADRO O=C(Nc1cnn(C2CC[NH2+]CC2)c1)c1cc(Br)cc2[nH]cnc21 ZINC000876802068 662866702 /nfs/dbraw/zinc/86/67/02/662866702.db2.gz AUYWLAFEDGSNEQ-UHFFFAOYSA-N 1 0 389.257 2.699 20 0 GFADRO COC(=O)c1ccc(C[N@@H+]2CCC[C@@H](Cn3ccnn3)C2)cc1Br ZINC000876813304 662866935 /nfs/dbraw/zinc/86/69/35/662866935.db2.gz BBETVLNGGNNMTI-CQSZACIVSA-N 1 0 393.285 2.739 20 0 GFADRO COC(=O)c1ccc(C[N@H+](C)C[C@H]2CCN(C(C)=O)C2)cc1Br ZINC000876814755 662866993 /nfs/dbraw/zinc/86/69/93/662866993.db2.gz IKAVISSMJBWIQN-CQSZACIVSA-N 1 0 383.286 2.536 20 0 GFADRO O=C([C@H](F)[C@@H]1CC[NH2+]C1)N1CCC(Oc2cccc(Br)c2)CC1 ZINC000876895608 662867791 /nfs/dbraw/zinc/86/77/91/662867791.db2.gz GIRBKWKJEUVIJA-MLGOLLRUSA-N 1 0 385.277 2.767 20 0 GFADRO O=C(/C=C/[C@@H]1CCC[NH2+]C1)N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000876894134 662867811 /nfs/dbraw/zinc/86/78/11/662867811.db2.gz LVCDPFRAKKKCCM-XFBVITRXSA-N 1 0 382.291 2.771 20 0 GFADRO C[C@@]1(CCNC(=O)c2nnn(C3CC[NH2+]CC3)c2C(F)F)C[C@@]1(F)Cl ZINC000876945200 662868424 /nfs/dbraw/zinc/86/84/24/662868424.db2.gz VSBYBZKYDGFCPU-CABCVRRESA-N 1 0 379.814 2.575 20 0 GFADRO C[NH2+]CCCC(=O)N1CCC(NC(=O)/C=C/c2ccc(SC)s2)CC1 ZINC000876977192 662868967 /nfs/dbraw/zinc/86/89/67/662868967.db2.gz WOZOXFUJHBNMFS-FNORWQNLSA-N 1 0 381.567 2.590 20 0 GFADRO C[C@@H]1CN(C(=O)c2csc(C3CC[NH2+]CC3)n2)C[C@H](CC(F)(F)F)O1 ZINC000876978470 662869099 /nfs/dbraw/zinc/86/90/99/662869099.db2.gz LDGSEQXJLFZVKQ-PWSUYJOCSA-N 1 0 377.432 2.792 20 0 GFADRO [NH3+]C1(CNC(=O)c2ccc(OC(F)(F)F)cc2Br)CCOCC1 ZINC000877014866 662869697 /nfs/dbraw/zinc/86/96/97/662869697.db2.gz SRRHUCRRBHFBJV-UHFFFAOYSA-N 1 0 397.191 2.585 20 0 GFADRO C[NH+]1CCC(N2CC[C@@H](NCc3nc(Cl)ccc3Br)C2)CC1 ZINC000877028091 662869779 /nfs/dbraw/zinc/86/97/79/662869779.db2.gz XJOLPGZNQOZGDO-GFCCVEGCSA-N 1 0 387.753 2.756 20 0 GFADRO CC(C)n1ncc(C(=O)N2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1Br ZINC000877018758 662869800 /nfs/dbraw/zinc/86/98/00/662869800.db2.gz QPKZGOAQTOQHKL-GXSJLCMTSA-N 1 0 397.239 2.826 20 0 GFADRO O=S1(=O)CCC(C[NH2+][C@@H]2CCN(c3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000877041341 662870045 /nfs/dbraw/zinc/87/00/45/662870045.db2.gz FTVIYQUIJRYYSC-OAHLLOKOSA-N 1 0 376.444 2.699 20 0 GFADRO CC(C)(C[NH2+]CC1CCN(S(=O)(=O)C(F)F)CC1)Oc1ccccc1 ZINC000877038200 662870088 /nfs/dbraw/zinc/87/00/88/662870088.db2.gz JPFBYMAGBJPYEZ-UHFFFAOYSA-N 1 0 376.469 2.698 20 0 GFADRO C[C@@H]1C[C@H](c2ccc(Br)cc2)CN1C(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC000877066989 662870583 /nfs/dbraw/zinc/87/05/83/662870583.db2.gz CCLPQCYLWNHMCR-YPMHNXCESA-N 1 0 389.297 2.836 20 0 GFADRO C[C@@H]1C[C@@H](c2ccc(Br)cc2)CN1C(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC000877066987 662870609 /nfs/dbraw/zinc/87/06/09/662870609.db2.gz CCLPQCYLWNHMCR-DGCLKSJQSA-N 1 0 389.297 2.836 20 0 GFADRO Cc1cc(N2CC[C@H]([NH2+]Cc3cc4nc(Cl)ccc4s3)C2=O)n(C)n1 ZINC000877070389 662870714 /nfs/dbraw/zinc/87/07/14/662870714.db2.gz WRNHYQQCDWTEFJ-LBPRGKRZSA-N 1 0 375.885 2.887 20 0 GFADRO C[C@@H](C[NH2+]Cc1cccc(S(N)(=O)=O)c1)Oc1ccccc1Br ZINC000877082793 662870885 /nfs/dbraw/zinc/87/08/85/662870885.db2.gz CNIRLPWSYMWGCG-LBPRGKRZSA-N 1 0 399.310 2.654 20 0 GFADRO Cc1nc(C2CC[NH2+]CC2)sc1C(=O)N1CCO[C@@](C)(C(F)(F)F)C1 ZINC000877235184 662872345 /nfs/dbraw/zinc/87/23/45/662872345.db2.gz QJAPENWOFPPYJX-OAHLLOKOSA-N 1 0 377.432 2.712 20 0 GFADRO O=C(COC1CC[NH2+]CC1)Nc1ccc(Br)c(Br)c1 ZINC000877265134 662872811 /nfs/dbraw/zinc/87/28/11/662872811.db2.gz HSWXGLWSGRYHAA-UHFFFAOYSA-N 1 0 392.091 2.919 20 0 GFADRO O=C(c1cnn(-c2ccccc2)c1Br)N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000877265748 662872814 /nfs/dbraw/zinc/87/28/14/662872814.db2.gz MUFLJBXQWLHVIO-CJNGLKHVSA-N 1 0 389.297 2.849 20 0 GFADRO O=C(Nc1nnc([C@@H]2CCCO2)s1)[C@@H]1C[NH2+]C[C@H]1c1ccc(Cl)cc1 ZINC000877269938 662872887 /nfs/dbraw/zinc/87/28/87/662872887.db2.gz DSBPTBBPOHJFKB-MJBXVCDLSA-N 1 0 378.885 2.985 20 0 GFADRO O=C(c1cc(=O)[nH]c2c(Br)cccc12)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000877276664 662872888 /nfs/dbraw/zinc/87/28/88/662872888.db2.gz BGFRGFLOOINFTG-KBPBESRZSA-N 1 0 376.254 2.669 20 0 GFADRO O=C(c1cnn(-c2cccc(Br)c2)c1)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000877280177 662872975 /nfs/dbraw/zinc/87/29/75/662872975.db2.gz UHYROOSQAFUKIU-HOTGVXAUSA-N 1 0 375.270 2.601 20 0 GFADRO O=C([C@@H]1CCN(c2cc(Cl)ccc2Cl)C1=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000877280386 662873109 /nfs/dbraw/zinc/87/31/09/662873109.db2.gz HEUJZOPGJMADCC-QEJZJMRPSA-N 1 0 382.291 2.699 20 0 GFADRO O=C(CCNc1ncc(C(F)(F)F)cc1Cl)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000877283136 662873160 /nfs/dbraw/zinc/87/31/60/662873160.db2.gz OJOUXJGNXNFPJS-CHWSQXEVSA-N 1 0 376.810 2.909 20 0 GFADRO O=C(c1cc(-c2ccc(Br)cc2)n[nH]1)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000877289598 662873267 /nfs/dbraw/zinc/87/32/67/662873267.db2.gz UBDWGJXGYXDZKH-CZUORRHYSA-N 1 0 375.270 2.806 20 0 GFADRO O=C(c1ccc(-n2cc(Br)cn2)cc1)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000877285574 662873296 /nfs/dbraw/zinc/87/32/96/662873296.db2.gz VKZJIELTHREZBM-JKSUJKDBSA-N 1 0 375.270 2.601 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)[C@@H]2COc3ccc(Br)cc32)C[C@@H]1C(F)(F)F ZINC000877358178 662874324 /nfs/dbraw/zinc/87/43/24/662874324.db2.gz ODIPMLWTHYMMNS-FXAINCCUSA-N 1 0 393.203 2.521 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)Cc2csc(CCC(F)(F)F)n2)C[C@H]1C(F)(F)F ZINC000877356539 662874333 /nfs/dbraw/zinc/87/43/33/662874333.db2.gz SHMWGBRYOWLYOE-WCBMZHEXSA-N 1 0 389.365 2.776 20 0 GFADRO COc1cc(C(=O)N2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)sc1Br ZINC000877359034 662874446 /nfs/dbraw/zinc/87/44/46/662874446.db2.gz FXTYKMNVHCNNMA-BQBZGAKWSA-N 1 0 387.221 2.728 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)CSCC(=O)c2ccc(Cl)cc2)C[C@H]1C(F)(F)F ZINC000877364369 662874630 /nfs/dbraw/zinc/87/46/30/662874630.db2.gz MKMFOVOQVXFFNP-DGCLKSJQSA-N 1 0 394.846 2.852 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)CCc2ccccc2Br)C[C@@H]1C(F)(F)F ZINC000877365917 662874723 /nfs/dbraw/zinc/87/47/23/662874723.db2.gz HAGROOKQVRTZTG-NEPJUHHUSA-N 1 0 379.220 2.977 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)CCc2cccc(Br)c2)C[C@H]1C(F)(F)F ZINC000877367576 662874843 /nfs/dbraw/zinc/87/48/43/662874843.db2.gz PBGZRCSUKPTDAQ-DGCLKSJQSA-N 1 0 379.220 2.977 20 0 GFADRO O=C(N[C@]12CCC[C@H]1[NH2+]CC2)c1ccc(-n2cc(Br)cn2)cc1 ZINC000877394276 662875389 /nfs/dbraw/zinc/87/53/89/662875389.db2.gz CVEVGJNIFJUDSP-WBVHZDCISA-N 1 0 375.270 2.649 20 0 GFADRO CCOP(=O)(CCC[N@@H+]1CCN2C(=O)N(CC(C)C)C[C@@H]2C1)OCC ZINC000877482544 662876892 /nfs/dbraw/zinc/87/68/92/662876892.db2.gz BXQUDFHORXQHMV-INIZCTEOSA-N 1 0 375.450 2.720 20 0 GFADRO CC[C@@H](C[NH2+]Cc1cnn2cc(Br)cnc12)NC(=O)OC(C)(C)C ZINC000877561715 662878891 /nfs/dbraw/zinc/87/88/91/662878891.db2.gz KNKASRVZTIWYRG-ZDUSSCGKSA-N 1 0 398.305 2.885 20 0 GFADRO O=S1(=O)CCCN1C1CC[NH+](Cc2cc3nc(Cl)ccc3s2)CC1 ZINC000877586646 662879387 /nfs/dbraw/zinc/87/93/87/662879387.db2.gz MVRRBNJZSMAJJC-UHFFFAOYSA-N 1 0 385.942 2.950 20 0 GFADRO COC(=O)c1ccc(C[NH2+][C@@H]2CCCC(F)(F)[C@H]2O)cc1Br ZINC000877589646 662879593 /nfs/dbraw/zinc/87/95/93/662879593.db2.gz IEGBMWGWHHUWJH-OLZOCXBDSA-N 1 0 378.213 2.874 20 0 GFADRO C[N@H+](Cc1cnn2cc(Br)cnc12)C[C@]1(O)CCc2ccccc21 ZINC000877604304 662879725 /nfs/dbraw/zinc/87/97/25/662879725.db2.gz KRTLHJUYNLGIMT-GOSISDBHSA-N 1 0 387.281 2.758 20 0 GFADRO CC[C@H](C)[C@@H](C[NH+]1CCC(n2nncc2I)CC1)OC ZINC000877631277 662880346 /nfs/dbraw/zinc/88/03/46/662880346.db2.gz OJXXRMZGCZXALW-WCQYABFASA-N 1 0 392.285 2.581 20 0 GFADRO OCCC[N@H+](C[C@@H](O)c1cc(Br)no1)[C@@H]1CCc2ccccc21 ZINC000878170222 662891128 /nfs/dbraw/zinc/89/11/28/662891128.db2.gz XHFZRNROYPFSBP-HUUCEWRRSA-N 1 0 381.270 2.842 20 0 GFADRO CO[C@H]1C[C@@H](C[N@@H+]2CCC[C@H](C(=O)Nc3ccc(Br)cn3)C2)C1 ZINC000878214158 662891824 /nfs/dbraw/zinc/89/18/24/662891824.db2.gz PXNHPBCLYGSIOE-KCQAQPDRSA-N 1 0 382.302 2.920 20 0 GFADRO CN(C[C@@H](O)c1cc(Br)no1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000878272273 662892873 /nfs/dbraw/zinc/89/28/73/662892873.db2.gz YHDMLVOCEWLOMN-LSDHHAIUSA-N 1 0 380.286 2.677 20 0 GFADRO OC[C@@H](C1CC1)[N@@H+](Cc1ccccc1)C[C@H](O)c1cc(Br)no1 ZINC000878298079 662893476 /nfs/dbraw/zinc/89/34/76/662893476.db2.gz GCISPGFKQGLZDM-GJZGRUSLSA-N 1 0 381.270 2.744 20 0 GFADRO CS[C@H]1CN(C[C@@H](O)c2ccc(Br)cc2)C[C@H]1[NH+]1CCCC1 ZINC000878429138 662896188 /nfs/dbraw/zinc/89/61/88/662896188.db2.gz AYINUNKLBSPKEA-ZACQAIPSSA-N 1 0 385.371 2.994 20 0 GFADRO COC(=O)C[C@](C)([NH2+]C[C@@H](O)c1ccc(Br)cc1)c1ccccn1 ZINC000878457451 662896907 /nfs/dbraw/zinc/89/69/07/662896907.db2.gz VFEPNWPQCDHJNN-QAPCUYQASA-N 1 0 393.281 2.946 20 0 GFADRO CC(C)(C)S(=O)(=O)CCC[NH2+][C@H](CO)c1ccc(Br)c(F)c1 ZINC000878645512 662901688 /nfs/dbraw/zinc/90/16/88/662901688.db2.gz NMRKBQCXYBFBCF-CQSZACIVSA-N 1 0 396.322 2.815 20 0 GFADRO Cc1nc(CN2C[C@H]3C[C@@H](C2)Cn2c(=O)cccc23)sc1Br ZINC000878662408 662902019 /nfs/dbraw/zinc/90/20/19/662902019.db2.gz OIWLFNUQFAMWCR-NWDGAFQWSA-N 1 0 380.311 2.995 20 0 GFADRO C[N@H+](CCc1ccc(C(N)=O)cc1)C[C@@H](O)c1ccccc1Br ZINC000878692610 662902806 /nfs/dbraw/zinc/90/28/06/662902806.db2.gz YRQQDBVOKKHQTP-QGZVFWFLSA-N 1 0 377.282 2.756 20 0 GFADRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)Cc2c(Br)cnn2C)C1 ZINC000878846384 662907183 /nfs/dbraw/zinc/90/71/83/662907183.db2.gz UWDGNTMPIQAGAO-GJZGRUSLSA-N 1 0 397.361 2.838 20 0 GFADRO C[C@H]1CN(C(=O)Nc2cccnc2Br)CCN1c1cc[nH+]cc1 ZINC000878971650 662911832 /nfs/dbraw/zinc/91/18/32/662911832.db2.gz ADMYTRJXBXMXBC-LBPRGKRZSA-N 1 0 376.258 2.982 20 0 GFADRO Cc1ccc(NC(=O)N2CCC([NH2+]C3CCOCC3)CC2)c(Br)n1 ZINC000878979835 662912062 /nfs/dbraw/zinc/91/20/62/662912062.db2.gz WFPAOCWDJLDXOU-UHFFFAOYSA-N 1 0 397.317 2.917 20 0 GFADRO C[C@H]1CN(C(=O)Nc2cccc(Br)n2)CCN1c1cc[nH+]cc1 ZINC000879202477 662920540 /nfs/dbraw/zinc/92/05/40/662920540.db2.gz HCRHNAOSOBIRHP-LBPRGKRZSA-N 1 0 376.258 2.982 20 0 GFADRO Cc1nc(NC(=O)N2CCC[C@@H]([NH2+]C3CCOCC3)C2)ccc1Br ZINC000879204349 662920597 /nfs/dbraw/zinc/92/05/97/662920597.db2.gz UDCVHPWJWHRULG-CQSZACIVSA-N 1 0 397.317 2.917 20 0 GFADRO CC1([NH+]2CCCCC2)CCN(Cc2cc(Cl)cc(S(N)(=O)=O)c2)CC1 ZINC000879951727 662943313 /nfs/dbraw/zinc/94/33/13/662943313.db2.gz OKSQSABPWKFGRJ-UHFFFAOYSA-N 1 0 385.961 2.828 20 0 GFADRO Cn1cc(NC(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2)c(Br)n1 ZINC000880041824 662946603 /nfs/dbraw/zinc/94/66/03/662946603.db2.gz QAHSMHJIQUTSGD-UHFFFAOYSA-N 1 0 398.280 2.917 20 0 GFADRO FC(F)(F)[C@@H]1CCN(CCC[N@@H+]2CCO[C@H](C(F)(F)F)CC2)CCO1 ZINC000880053968 662948130 /nfs/dbraw/zinc/94/81/30/662948130.db2.gz UXJSTKXIPNOARJ-STQMWFEESA-N 1 0 378.357 2.683 20 0 GFADRO C[C@H](NC(=O)Nc1cn(C)nc1Br)[C@@H](c1ccccc1)[NH+](C)C ZINC000880056680 662948347 /nfs/dbraw/zinc/94/83/47/662948347.db2.gz QNXUXIRHBAPIIR-FZMZJTMJSA-N 1 0 380.290 2.996 20 0 GFADRO O[C@H](CN1CCC[C@H]([NH2+]C2CCOCC2)C1)c1ccccc1Br ZINC000880203811 662954551 /nfs/dbraw/zinc/95/45/51/662954551.db2.gz MXVHYQZUXGDXIX-MAUKXSAKSA-N 1 0 383.330 2.716 20 0 GFADRO COc1cc(Br)ccc1CCC[N@H+]1C[C@H]2CN(C(C)=O)C[C@H]2C1 ZINC000880312131 662957792 /nfs/dbraw/zinc/95/77/92/662957792.db2.gz UOUXKASLWUTOCZ-IYBDPMFKSA-N 1 0 381.314 2.800 20 0 GFADRO Cn1ncc(Br)c1CC(=O)NC(C)(C)CC[NH+]1CCCCCC1 ZINC000880469525 662960473 /nfs/dbraw/zinc/96/04/73/662960473.db2.gz JMSGVMKCCVHQQU-UHFFFAOYSA-N 1 0 385.350 2.886 20 0 GFADRO COc1cc(Br)ccc1NC(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000880632852 662966020 /nfs/dbraw/zinc/96/60/20/662966020.db2.gz VPAQCHDQDCLVOL-UHFFFAOYSA-N 1 0 399.333 2.605 20 0 GFADRO Cc1ccccc1C[NH+]1CCN(c2ccc3nnc(Br)n3n2)CC1 ZINC000881768833 663002455 /nfs/dbraw/zinc/00/24/55/663002455.db2.gz DETMDLVOWGLTAY-UHFFFAOYSA-N 1 0 387.285 2.517 20 0 GFADRO C[C@@H]1CN(S(=O)(=O)CC[C@@H]2CC2(Cl)Cl)CCN1c1cc[nH+]cc1 ZINC000882619435 663033472 /nfs/dbraw/zinc/03/34/72/663033472.db2.gz KZFPDEVMUVLTCS-CHWSQXEVSA-N 1 0 378.325 2.506 20 0 GFADRO C[C@H]1CN(S(=O)(=O)c2ccc(Cl)nc2Cl)CCN1c1cc[nH+]cc1 ZINC000882620900 663033590 /nfs/dbraw/zinc/03/35/90/663033590.db2.gz AWIURJWOCGPGEU-NSHDSACASA-N 1 0 387.292 2.683 20 0 GFADRO CC1([NH+]2CCC2)CCN(S(=O)(=O)c2ccc(Br)s2)CC1 ZINC000882769707 663041190 /nfs/dbraw/zinc/04/11/90/663041190.db2.gz JGXJFSXMDSDJGG-UHFFFAOYSA-N 1 0 379.345 2.760 20 0 GFADRO COC[C@H]([NH2+]C[C@H](O)COc1cccc(Cl)c1Cl)[C@H]1CCCOC1 ZINC000883176500 663050936 /nfs/dbraw/zinc/05/09/36/663050936.db2.gz DUHVRPVNDCJIIS-YDHLFZDLSA-N 1 0 378.296 2.764 20 0 GFADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)N(C)Cc1cscc1Br ZINC000883375377 663054248 /nfs/dbraw/zinc/05/42/48/663054248.db2.gz LKWQJANXLTYTSG-ZDUSSCGKSA-N 1 0 390.347 2.763 20 0 GFADRO Cc1cc(Br)c(Cl)cc1S(=O)(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000883468595 663055498 /nfs/dbraw/zinc/05/54/98/663055498.db2.gz WSDNCSNJXQVERD-UHFFFAOYSA-N 1 0 393.734 2.928 20 0 GFADRO Cc1ncc2c(n1)CCC[C@@H]2NC(=O)[C@@H]([NH3+])c1ccc(Br)cc1 ZINC000884137082 663065852 /nfs/dbraw/zinc/06/58/52/663065852.db2.gz CVVFMKREAQTFLK-HOTGVXAUSA-N 1 0 375.270 2.741 20 0 GFADRO [NH3+][C@@H](C(=O)N1CCN(c2ccc(O)cc2)CC1)c1ccc(Br)cc1 ZINC000884176177 663066565 /nfs/dbraw/zinc/06/65/65/663066565.db2.gz YLGIDXXGRLMPIU-QGZVFWFLSA-N 1 0 390.281 2.503 20 0 GFADRO CC1(C)C[NH2+]C[C@H]1C(=O)NC1CCN(Cc2ccc(Br)cc2)CC1 ZINC000884232258 663067420 /nfs/dbraw/zinc/06/74/20/663067420.db2.gz MJTLNZYLIRXJCR-KRWDZBQOSA-N 1 0 394.357 2.775 20 0 GFADRO C[C@H]1CN(C(=O)c2cc(Br)nn2-c2ncccc2Cl)[C@@H](C)C[NH2+]1 ZINC000884245515 663067563 /nfs/dbraw/zinc/06/75/63/663067563.db2.gz XHCZUDIAUDXLRR-UWVGGRQHSA-N 1 0 398.692 2.506 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)COCCc3ccc(Br)cc3)C[C@H]21 ZINC000884248525 663067669 /nfs/dbraw/zinc/06/76/69/663067669.db2.gz TVPCYGBHJCDBAB-DJIMGWMZSA-N 1 0 381.314 2.594 20 0 GFADRO O=C(COCCc1ccc(Br)cc1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000884290991 663068158 /nfs/dbraw/zinc/06/81/58/663068158.db2.gz NMGOLEKNTPTEEZ-KRWDZBQOSA-N 1 0 395.341 2.856 20 0 GFADRO [NH3+]C[C@H]1CC[C@@H](NC(=O)c2cc(Br)nn2-c2ncccc2Cl)C1 ZINC000884303593 663068453 /nfs/dbraw/zinc/06/84/53/663068453.db2.gz SBXQUQGYKHINQH-VHSXEESVSA-N 1 0 398.692 2.540 20 0 GFADRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)c2cc(Br)nn2-c2ncccc2Cl)C1 ZINC000884303591 663068484 /nfs/dbraw/zinc/06/84/84/663068484.db2.gz SBXQUQGYKHINQH-NXEZZACHSA-N 1 0 398.692 2.540 20 0 GFADRO COCC[C@@H]([NH3+])C(=O)N[C@H](Cc1ccccn1)c1ccc(Br)cc1 ZINC000884308698 663068541 /nfs/dbraw/zinc/06/85/41/663068541.db2.gz AGTAIOVVCXKCQH-IAGOWNOFSA-N 1 0 392.297 2.608 20 0 GFADRO Cc1cc(C2CCN(C(=O)[C@@H]([NH3+])c3ccc(Br)cc3)CC2)[nH]n1 ZINC000884331078 663069094 /nfs/dbraw/zinc/06/90/94/663069094.db2.gz FNZFKCAYTGKVII-INIZCTEOSA-N 1 0 377.286 2.887 20 0 GFADRO CC1(C)[C@@H]([NH3+])C[C@@H]1NC(=O)C1(c2ccc(Br)cc2)CCOCC1 ZINC000884353893 663069430 /nfs/dbraw/zinc/06/94/30/663069430.db2.gz IHMYITSTSISELZ-GJZGRUSLSA-N 1 0 381.314 2.739 20 0 GFADRO [NH3+]C[C@]12CCC[C@H]1CN(C(=O)COCCc1ccc(Br)cc1)C2 ZINC000884382804 663069822 /nfs/dbraw/zinc/06/98/22/663069822.db2.gz SUVDXFHGYSHJRE-YJBOKZPZSA-N 1 0 381.314 2.596 20 0 GFADRO C[C@H](NC(=O)C(=O)NC[C@H]1C[NH2+]CCC1(F)F)c1cccc(Cl)c1Cl ZINC000884532021 663072209 /nfs/dbraw/zinc/07/22/09/663072209.db2.gz AGSFTIJVSDQKSB-VHSXEESVSA-N 1 0 394.249 2.532 20 0 GFADRO C[C@@H](NC(=O)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cccc(Cl)c1Cl ZINC000884532650 663072210 /nfs/dbraw/zinc/07/22/10/663072210.db2.gz NRGVTFPTNJLUSE-FVCCEPFGSA-N 1 0 384.307 2.817 20 0 GFADRO Cc1cc(Br)sc1S(=O)(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000884959822 663079851 /nfs/dbraw/zinc/07/98/51/663079851.db2.gz ODHXQQFXZLSTBQ-WDEREUQCSA-N 1 0 379.345 2.724 20 0 GFADRO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000884973770 663081716 /nfs/dbraw/zinc/08/17/16/663081716.db2.gz FHNMNCDGUJHQBD-OAHLLOKOSA-N 1 0 386.323 2.846 20 0 GFADRO Cc1cc(Br)ccc1CS(=O)(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000885220080 663086597 /nfs/dbraw/zinc/08/65/97/663086597.db2.gz MPVADLJCGKDQGK-MQVJKMGUSA-N 1 0 387.343 2.802 20 0 GFADRO O=C(CCc1ccccc1Br)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000885862916 663099353 /nfs/dbraw/zinc/09/93/53/663099353.db2.gz LEDYYEGEJZWDLS-INIZCTEOSA-N 1 0 381.314 2.751 20 0 GFADRO O=C(NC[C@@H]1CC[N@@H+]1C1CCOCC1)c1ccc(C(F)(F)F)nc1Cl ZINC000885875072 663099867 /nfs/dbraw/zinc/09/98/67/663099867.db2.gz FJDOAZFCWNFWOF-NSHDSACASA-N 1 0 377.794 2.737 20 0 GFADRO C[C@@H](Cc1ccc(Br)cc1)C(=O)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000885875047 663099871 /nfs/dbraw/zinc/09/98/71/663099871.db2.gz DSWYZQFXHZOXHJ-KSSFIOAISA-N 1 0 395.341 2.997 20 0 GFADRO C[C@H](Oc1ccc(Br)cc1)C(=O)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000885882897 663100358 /nfs/dbraw/zinc/10/03/58/663100358.db2.gz LVPAOFKFFSRZPH-BBRMVZONSA-N 1 0 397.313 2.586 20 0 GFADRO O=S(=O)(N1CCC(C[NH2+]C/C=C\c2cccc(F)c2)CC1)C(F)(F)F ZINC000885979817 663102254 /nfs/dbraw/zinc/10/22/54/663102254.db2.gz NAUVSEQZAUKCFV-RQOWECAXSA-N 1 0 380.407 2.990 20 0 GFADRO O=C(Nc1ccc(Br)cn1)C1CC[NH+](C[C@H]2C[C@]23CCOC3)CC1 ZINC000886051737 663102820 /nfs/dbraw/zinc/10/28/20/663102820.db2.gz CFSPWQSNRLHUNX-KDOFPFPSSA-N 1 0 394.313 2.921 20 0 GFADRO C[C@H]1CCNC(=O)[C@@H]1[NH2+]Cc1cc(Br)c(Br)s1 ZINC000886105393 663103261 /nfs/dbraw/zinc/10/32/61/663103261.db2.gz YYCWQRGJWJWKTG-IMTBSYHQSA-N 1 0 382.121 2.887 20 0 GFADRO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+][C@H]2CCOC3(CCOCC3)C2)c1 ZINC000886144707 663103858 /nfs/dbraw/zinc/10/38/58/663103858.db2.gz FGFRNADMNMRPJB-INIZCTEOSA-N 1 0 387.929 2.951 20 0 GFADRO OC[C@@H](C[C@H]1CCCO1)[NH2+]Cc1c(F)ccc(I)c1F ZINC000886223041 663105189 /nfs/dbraw/zinc/10/51/89/663105189.db2.gz FMSIMLOGDLTIFD-NXEZZACHSA-N 1 0 397.203 2.589 20 0 GFADRO O[C@@H]1CC[C@H]([NH2+]Cc2cc(OC(F)F)ccc2Br)CC[C@@H]1O ZINC000886261961 663106509 /nfs/dbraw/zinc/10/65/09/663106509.db2.gz HFXJCOWLODDAOX-ZOZIMZAQSA-N 1 0 380.229 2.805 20 0 GFADRO COC[C@@H]([NH2+]Cc1cccc(I)c1)[C@@H]1CCCOC1 ZINC000886357181 663108788 /nfs/dbraw/zinc/10/87/88/663108788.db2.gz CFQJESVYWLXSJV-UKRRQHHQSA-N 1 0 375.250 2.822 20 0 GFADRO COC[C@@H]([NH2+]Cc1cccc(F)c1I)[C@@H]1CCCOC1 ZINC000886355737 663108814 /nfs/dbraw/zinc/10/88/14/663108814.db2.gz MYBCHDZCTWOOCH-TZMCWYRMSA-N 1 0 393.240 2.962 20 0 GFADRO COc1cc(C)c(S(=O)(=O)NC[C@@H]2C[NH2+]CCC2(F)F)cc1C(C)C ZINC000886898039 663124045 /nfs/dbraw/zinc/12/40/45/663124045.db2.gz PRQGDGDMUBPILE-ZDUSSCGKSA-N 1 0 376.469 2.650 20 0 GFADRO O=S(=O)(NC[C@H]1C[NH2+]CCC1(F)F)c1cc(Cl)cc(C(F)(F)F)c1 ZINC000886897813 663124059 /nfs/dbraw/zinc/12/40/59/663124059.db2.gz IREVKXNUDQXBRJ-SECBINFHSA-N 1 0 392.777 2.882 20 0 GFADRO COC[C@H]([NH2+]C[C@H](O)COc1ccc(Cl)c(Cl)c1)[C@H]1CCCOC1 ZINC000886905130 663124273 /nfs/dbraw/zinc/12/42/73/663124273.db2.gz AFDRPXIFJZUJIU-DCGLDWPTSA-N 1 0 378.296 2.764 20 0 GFADRO COC[C@H]([NH2+]CCS(=O)(=O)c1cc(Cl)ccc1Cl)[C@H]1CCCOC1 ZINC000886903845 663124360 /nfs/dbraw/zinc/12/43/60/663124360.db2.gz JOFCBEKUHRJXOW-WFASDCNBSA-N 1 0 396.336 2.798 20 0 GFADRO COC[C@H]([NH2+]CC(=O)Nc1ccc(Br)cc1F)[C@H]1CCCOC1 ZINC000886910108 663124584 /nfs/dbraw/zinc/12/45/84/663124584.db2.gz LLDMLTRSDGEXSG-NHYWBVRUSA-N 1 0 389.265 2.558 20 0 GFADRO COC[C@H]([NH2+]C[C@@H](O)COc1cc(Cl)cc(Cl)c1)[C@@H]1CCCOC1 ZINC000886916400 663124972 /nfs/dbraw/zinc/12/49/72/663124972.db2.gz UKRNNIGRQMBHSY-VMGRFDJRSA-N 1 0 378.296 2.764 20 0 GFADRO O=C(NCC1CC[NH2+]CC1)C(=O)Nc1cc(Br)c2ccccc2c1 ZINC000886982666 663127111 /nfs/dbraw/zinc/12/71/11/663127111.db2.gz XPTQCEHGRHQILX-UHFFFAOYSA-N 1 0 390.281 2.657 20 0 GFADRO CCN(C(=O)C(=O)Nc1cccc(Cl)c1SCC(F)F)[C@@H]1CC[NH2+]C1 ZINC000887001641 663128320 /nfs/dbraw/zinc/12/83/20/663128320.db2.gz ZCXPIAWRXMVAMZ-SNVBAGLBSA-N 1 0 391.871 2.846 20 0 GFADRO CCS(=O)(=O)N1CCc2cc(-c3csc([C@@H]4CCC[NH2+]C4)n3)ccc21 ZINC000887275552 663140596 /nfs/dbraw/zinc/14/05/96/663140596.db2.gz IXMWLFWYDWIUAA-OAHLLOKOSA-N 1 0 377.535 2.989 20 0 GFADRO [NH3+][C@H]1CCCN(Cc2cn(Cc3ccc(Cl)cc3Br)nn2)C1 ZINC000887442828 663146681 /nfs/dbraw/zinc/14/66/81/663146681.db2.gz UFVGEQLDWNFJLD-ZDUSSCGKSA-N 1 0 384.709 2.665 20 0 GFADRO [NH3+][C@@H]1CCCN(Cc2cn(Cc3cccc(Br)c3Cl)nn2)C1 ZINC000887444262 663146695 /nfs/dbraw/zinc/14/66/95/663146695.db2.gz CAXBIPXMKMJNJS-GFCCVEGCSA-N 1 0 384.709 2.665 20 0 GFADRO [NH3+][C@@H]1CCCN(Cc2cn(Cc3cc(Cl)cc(Br)c3)nn2)C1 ZINC000887446491 663146820 /nfs/dbraw/zinc/14/68/20/663146820.db2.gz CWPSCJAZOYIYRF-CQSZACIVSA-N 1 0 384.709 2.665 20 0 GFADRO COc1ccc(NC(=O)NC[C@H](C)C[NH+](C)C)c(I)c1 ZINC000888029974 663176078 /nfs/dbraw/zinc/17/60/78/663176078.db2.gz RDANYMILVNLSSB-JTQLQIEISA-N 1 0 391.253 2.619 20 0 GFADRO O=C(Nc1ccnn1Cc1ccc(Cl)s1)C1C[NH+](C2CCOCC2)C1 ZINC000888253802 663184244 /nfs/dbraw/zinc/18/42/44/663184244.db2.gz DKQBRTNLYFZCMN-UHFFFAOYSA-N 1 0 380.901 2.696 20 0 GFADRO C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)Nc1ccnc(Br)c1 ZINC000888255316 663184395 /nfs/dbraw/zinc/18/43/95/663184395.db2.gz PMIOYSHRQOLKLX-LBPRGKRZSA-N 1 0 376.258 2.982 20 0 GFADRO Cn1cc(C(=O)N2C[C@H]3CCC[N@@H+]3Cc3ccccc32)c(Br)n1 ZINC000888283697 663185847 /nfs/dbraw/zinc/18/58/47/663185847.db2.gz XYRZAKGEQOXLPO-CYBMUJFWSA-N 1 0 375.270 2.807 20 0 GFADRO O=C(NCC[N@@H+]1CCCOCC1)Nc1cccc(-c2nnsc2Cl)c1 ZINC000888870534 663221824 /nfs/dbraw/zinc/22/18/24/663221824.db2.gz XIQHWXMCKKRDQC-UHFFFAOYSA-N 1 0 381.889 2.702 20 0 GFADRO CSc1ccc([C@H](CNC(=O)N[C@@H](CCO)C(F)(F)F)[NH+](C)C)cc1 ZINC000889110429 663232458 /nfs/dbraw/zinc/23/24/58/663232458.db2.gz VUYUEMXETIQEJU-KBPBESRZSA-N 1 0 379.448 2.624 20 0 GFADRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1cn(C)nc1Br ZINC000889362473 663242413 /nfs/dbraw/zinc/24/24/13/663242413.db2.gz LCVNEKFMKLRVGF-CJNGLKHVSA-N 1 0 391.313 2.823 20 0 GFADRO C[NH+](C)CCn1cc(NC(=O)c2sc(Cl)nc2C(F)(F)F)ccc1=O ZINC000889711159 663257151 /nfs/dbraw/zinc/25/71/51/663257151.db2.gz QPBQUWARCGKVJL-UHFFFAOYSA-N 1 0 394.806 2.791 20 0 GFADRO Cc1c(Br)ccc(F)c1C(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000889738642 663261673 /nfs/dbraw/zinc/26/16/73/663261673.db2.gz ABSZOKRCMZCTAA-HUUCEWRRSA-N 1 0 385.277 2.568 20 0 GFADRO Cc1cc(Br)c(F)c(C(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)c1 ZINC000889745575 663262522 /nfs/dbraw/zinc/26/25/22/663262522.db2.gz WPMLTCIIJLVPRH-GJZGRUSLSA-N 1 0 385.277 2.568 20 0 GFADRO O=C(c1cc(Cl)cc(Br)c1)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000889762471 663264691 /nfs/dbraw/zinc/26/46/91/663264691.db2.gz JZOWKLQNFHWYFL-GJZGRUSLSA-N 1 0 387.705 2.774 20 0 GFADRO O=C(c1cc(Br)ccc1Cl)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000889780629 663266496 /nfs/dbraw/zinc/26/64/96/663266496.db2.gz KVGIGRRJOIWOCG-HUUCEWRRSA-N 1 0 387.705 2.774 20 0 GFADRO C[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2cc(Br)ccc2C(C)(C)C)C1 ZINC000889943664 663277017 /nfs/dbraw/zinc/27/70/17/663277017.db2.gz WSZDGFDOLVRXBQ-GFCCVEGCSA-N 1 0 396.329 2.753 20 0 GFADRO C[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2cc(Br)c3ccccc3c2)C1 ZINC000889943304 663277168 /nfs/dbraw/zinc/27/71/68/663277168.db2.gz QFCOCLUEIDAFGQ-GFCCVEGCSA-N 1 0 390.281 2.609 20 0 GFADRO O=C(Nc1cccc(F)c1Br)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000890363701 663297668 /nfs/dbraw/zinc/29/76/68/663297668.db2.gz RPBZYVOMPGIPGY-OCCSQVGLSA-N 1 0 398.276 2.660 20 0 GFADRO C[C@H]1C[C@@H](C(=O)OCc2cn(-c3ccccc3Br)nn2)CC[N@@H+]1C ZINC000890456416 663301686 /nfs/dbraw/zinc/30/16/86/663301686.db2.gz OIXRURPHKBGPJP-STQMWFEESA-N 1 0 393.285 2.803 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)N[C@@H]2CCOc3c(Cl)cccc32)C[C@@H]1C(F)(F)F ZINC000891417741 663339187 /nfs/dbraw/zinc/33/91/87/663339187.db2.gz LUTUTYURIJIGRM-SUZMYJTESA-N 1 0 377.794 2.942 20 0 GFADRO Cc1cc(Cl)ccc1OCCCNC(=O)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000891424957 663339431 /nfs/dbraw/zinc/33/94/31/663339431.db2.gz UNTFETHTNIZCQD-ZDUSSCGKSA-N 1 0 375.847 2.961 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)NCc2sccc2Br)C[C@H]1C(F)(F)F ZINC000891462653 663340273 /nfs/dbraw/zinc/34/02/73/663340273.db2.gz VXDOAVKJUHMJIV-JGVFFNPUSA-N 1 0 386.237 2.789 20 0 GFADRO CCC1([NH3+])CCN(C(=O)N[C@H]2CCN(c3ccccc3Br)C2)CC1 ZINC000891542534 663343354 /nfs/dbraw/zinc/34/33/54/663343354.db2.gz VHANABYOUKHKEU-AWEZNQCLSA-N 1 0 395.345 2.941 20 0 GFADRO Nc1cc[nH+]c(CNC(=O)NCCCc2ccc(Br)cc2F)c1 ZINC000891565799 663344093 /nfs/dbraw/zinc/34/40/93/663344093.db2.gz FRPPQKMSERIKSM-UHFFFAOYSA-N 1 0 381.249 2.997 20 0 GFADRO COc1ccc([C@H](C)NC(=O)N2CC[C@H]3C[N@H+](C)C[C@H]32)cc1Br ZINC000891640055 663346249 /nfs/dbraw/zinc/34/62/49/663346249.db2.gz YRADPSKGBOKZRV-CORIIIEPSA-N 1 0 382.302 2.864 20 0 GFADRO Cc1nc(-c2ccc(CCNC(=O)N3C[C@@H]4C[N@H+](C)C[C@@H]4C3)s2)cs1 ZINC000891667858 663346788 /nfs/dbraw/zinc/34/67/88/663346788.db2.gz IZPOGYWQXJRKPC-OKILXGFUSA-N 1 0 376.551 2.926 20 0 GFADRO C[C@H](NC(=O)N1C[C@H]([NH3+])C[C@H]1C)c1nc(-c2ccc(Br)cc2)no1 ZINC000891680041 663347086 /nfs/dbraw/zinc/34/70/86/663347086.db2.gz CKAOWOFYQVLSDM-GBIKHYSHSA-N 1 0 394.273 2.691 20 0 GFADRO CC[NH+](CC)[C@H](CNC(=O)NCc1ncc(Br)cn1)CC(C)C ZINC000891755732 663349382 /nfs/dbraw/zinc/34/93/82/663349382.db2.gz ZDPIOPHXCXJQOG-AWEZNQCLSA-N 1 0 386.338 2.795 20 0 GFADRO O=C(NCc1cc2cc(Br)ccc2[nH]1)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000891803344 663350928 /nfs/dbraw/zinc/35/09/28/663350928.db2.gz KLIMJGTZNDNKOR-JKSUJKDBSA-N 1 0 377.286 2.966 20 0 GFADRO COc1cc(Br)ccc1[C@H](C)NC(=O)NCc1cc(N)cc[nH+]1 ZINC000891841894 663352539 /nfs/dbraw/zinc/35/25/39/663352539.db2.gz NVTCAFOWLXMYKH-JTQLQIEISA-N 1 0 379.258 2.995 20 0 GFADRO CN(C[C@H](O)COc1cc(Cl)cc(Cl)c1)C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000892082382 663361092 /nfs/dbraw/zinc/36/10/92/663361092.db2.gz YWQXHLZGWOLGJV-GJZGRUSLSA-N 1 0 390.311 2.517 20 0 GFADRO COCC1(CNC(=O)N(C)Cc2cscc2Br)CC[NH2+]CC1 ZINC000892111825 663362212 /nfs/dbraw/zinc/36/22/12/663362212.db2.gz CYRGMEGOIRMYEV-UHFFFAOYSA-N 1 0 390.347 2.668 20 0 GFADRO COc1cccc(OCCN2CC[NH+](C[C@@H]3C[C@]3(C)Br)CC2)c1 ZINC000892136824 663362977 /nfs/dbraw/zinc/36/29/77/663362977.db2.gz OACVHCYJBBLFBH-YJBOKZPZSA-N 1 0 383.330 2.865 20 0 GFADRO COC[C@H](NC(=O)NCCC[C@H]1CCC[NH2+]1)c1cccc(Br)c1 ZINC000892158322 663364055 /nfs/dbraw/zinc/36/40/55/663364055.db2.gz HAELCWNWSGMONJ-CVEARBPZSA-N 1 0 384.318 2.968 20 0 GFADRO O=C(NCCC1CC[NH2+]CC1)N[C@@H]1[C@H]2Cc3c(cccc3Br)[C@@H]12 ZINC000892232460 663366532 /nfs/dbraw/zinc/36/65/32/663366532.db2.gz MOEXWRCOSPPEFH-USXIJHARSA-N 1 0 378.314 2.776 20 0 GFADRO CC1(C)C[NH2+]CC[C@@H](NC(=O)NC[C@@H](O)c2ccccc2Br)C1 ZINC000892482614 663375142 /nfs/dbraw/zinc/37/51/42/663375142.db2.gz ZFXQCTFLGKLEQR-IUODEOHRSA-N 1 0 384.318 2.560 20 0 GFADRO CC(C)(C)CC[C@@H](C[NH2+]C[C@H]1CCS(=O)(=O)C1)NC(=O)OC(C)(C)C ZINC000892505862 663376025 /nfs/dbraw/zinc/37/60/25/663376025.db2.gz MSKRUVPCPYJKCV-CABCVRRESA-N 1 0 376.563 2.730 20 0 GFADRO [NH3+][C@H]1C[C@H](CNC(=O)N2CCO[C@H](c3cc(F)c(Cl)cc3Cl)C2)C1 ZINC000892578405 663377699 /nfs/dbraw/zinc/37/76/99/663377699.db2.gz SENYXOHFAQJLSI-YHAQOWFVSA-N 1 0 376.259 2.953 20 0 GFADRO CCOC(=O)c1ncc(Br)c(N2CC[C@@H](C[NH+](CC)CC)C2)n1 ZINC000892722317 663383142 /nfs/dbraw/zinc/38/31/42/663383142.db2.gz IEVPAGTZNKDUOF-LBPRGKRZSA-N 1 0 385.306 2.584 20 0 GFADRO CCC1([NH3+])CCN(C(=O)N[C@@H](CO)c2ccc(Br)c(F)c2)CC1 ZINC000892931867 663390317 /nfs/dbraw/zinc/39/03/17/663390317.db2.gz WZAXNDUDEBHIOP-AWEZNQCLSA-N 1 0 388.281 2.535 20 0 GFADRO CN(C)c1nc(C(F)(F)F)ccc1C[NH2+][C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000893002053 663392741 /nfs/dbraw/zinc/39/27/41/663392741.db2.gz UVMTVIMHLXGZCZ-OLZOCXBDSA-N 1 0 379.448 2.612 20 0 GFADRO C[C@@H]1CCC[C@@H](CC[NH+](C)C)N1C(=O)c1cnn2cc(Br)cnc12 ZINC000893013641 663393059 /nfs/dbraw/zinc/39/30/59/663393059.db2.gz LBQZNKXVFPYCKT-OCCSQVGLSA-N 1 0 394.317 2.827 20 0 GFADRO C[C@H](Cc1ccc(F)c(Br)c1)[NH2+][C@H](C)[C@@H]1CCS(=O)(=O)C1 ZINC000893166471 663399798 /nfs/dbraw/zinc/39/97/98/663399798.db2.gz BGHMHJXJWICNCU-NQBHXWOUSA-N 1 0 378.307 2.932 20 0 GFADRO O=S(=O)(C[C@H](O)C[NH2+]Cc1ccc(C(F)F)c(F)c1)c1cccs1 ZINC000893181227 663400241 /nfs/dbraw/zinc/40/02/41/663400241.db2.gz KNVWSTQPRAGCHV-LLVKDONJSA-N 1 0 379.425 2.749 20 0 GFADRO Cc1cc(N2CCC[C@@H]([NH2+]C3CCS(=O)CC3)C2=O)ccc1Br ZINC000893626832 663417754 /nfs/dbraw/zinc/41/77/54/663417754.db2.gz LDDGXNWDNQBNTB-DKZXTENOSA-N 1 0 399.354 2.754 20 0 GFADRO CC(=O)Nc1cc(Br)ccc1CN1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000893878411 663429803 /nfs/dbraw/zinc/42/98/03/663429803.db2.gz QXFOALOEKFOWCG-ZDUSSCGKSA-N 1 0 398.345 2.685 20 0 GFADRO COc1cc(Br)ccc1[C@H](C)[NH2+][C@@H](C)[C@@H]1CCS(=O)(=O)C1 ZINC000893945422 663432884 /nfs/dbraw/zinc/43/28/84/663432884.db2.gz IOVWREHGKYZGDH-SDDRHHMPSA-N 1 0 376.316 2.932 20 0 GFADRO O=C1[C@@H]([NH2+]C2CCS(=O)CC2)CCCN1c1ccc(Cl)cc1Cl ZINC000893965162 663433790 /nfs/dbraw/zinc/43/37/90/663433790.db2.gz KITPYTFOAAFAOY-PPSLSTQNSA-N 1 0 375.321 2.990 20 0 GFADRO C[C@@H]([NH2+]Cc1cnn(-c2ccc(Br)cc2)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000894070181 663440679 /nfs/dbraw/zinc/44/06/79/663440679.db2.gz JBAGZNXADSOZNR-TZMCWYRMSA-N 1 0 398.326 2.548 20 0 GFADRO C[N@H+](Cc1ccc(C(=O)OC(C)(C)C)s1)C1CCN(S(C)(=O)=O)CC1 ZINC000894094886 663442198 /nfs/dbraw/zinc/44/21/98/663442198.db2.gz OKMKWDJIUZAGLV-UHFFFAOYSA-N 1 0 388.555 2.559 20 0 GFADRO CCC[NH+]1CCN(c2ccc(NC3CCS(=O)(=O)CC3)cc2Cl)CC1 ZINC000894108599 663443127 /nfs/dbraw/zinc/44/31/27/663443127.db2.gz PYGGAZBUGWLBFW-UHFFFAOYSA-N 1 0 385.961 2.861 20 0 GFADRO Cn1ncc(I)c1CNc1ccc(C[NH+](C)C)c(F)c1 ZINC000894131836 663444555 /nfs/dbraw/zinc/44/45/55/663444555.db2.gz POWHYRKDMQAVTQ-UHFFFAOYSA-N 1 0 388.228 2.838 20 0 GFADRO COC(=O)[C@@H]1CCCC[C@]1(C)[NH2+]Cc1sc(N2CCOCC2)nc1Cl ZINC000894140718 663445264 /nfs/dbraw/zinc/44/52/64/663445264.db2.gz OLSLHBGRCBYODR-SJCJKPOMSA-N 1 0 387.933 2.845 20 0 GFADRO COc1cccc([C@H](CNCc2nc(Br)nn2C)[NH+]2CCCC2)c1 ZINC000894161098 663446027 /nfs/dbraw/zinc/44/60/27/663446027.db2.gz RTGVXTXQYWSTSS-HNNXBMFYSA-N 1 0 394.317 2.513 20 0 GFADRO Cn1nc(Br)nc1CNCc1cccc(NC(=O)C2CCC2)c1 ZINC000894164282 663446415 /nfs/dbraw/zinc/44/64/15/663446415.db2.gz GBQFEPPILNPKKR-UHFFFAOYSA-N 1 0 378.274 2.606 20 0 GFADRO CC[NH+](CC)[C@H](CNCc1nc(Br)nn1C)Cc1ccccc1 ZINC000894171987 663446604 /nfs/dbraw/zinc/44/66/04/663446604.db2.gz PABZIUWTDYTSGN-HNNXBMFYSA-N 1 0 380.334 2.620 20 0 GFADRO C[C@H]([NH2+][C@H](CO)c1ccc(Cl)cc1C(F)(F)F)[C@H]1CCS(=O)(=O)C1 ZINC000894181872 663447388 /nfs/dbraw/zinc/44/73/88/663447388.db2.gz AMDVFMQJFZNKDN-PKFCDNJMSA-N 1 0 385.835 2.805 20 0 GFADRO C[C@H](c1ccccc1)[C@H](CO)[NH2+]Cc1sc(N2CCOCC2)nc1Cl ZINC000894259827 663451365 /nfs/dbraw/zinc/45/13/65/663451365.db2.gz YRENPFVMPNFDON-HIFRSBDPSA-N 1 0 381.929 2.887 20 0 GFADRO Cn1nc(Br)nc1C[NH2+][C@@H]1CCCN(c2ccccc2Cl)C1 ZINC000894288412 663452662 /nfs/dbraw/zinc/45/26/62/663452662.db2.gz UNAITFHTKGJEEK-LLVKDONJSA-N 1 0 384.709 2.990 20 0 GFADRO C[C@@H]1C[C@H](NCc2nc(Br)nn2C)CC[N@@H+]1Cc1ccccc1 ZINC000894324957 663454701 /nfs/dbraw/zinc/45/47/01/663454701.db2.gz KWXYQYCJUCAHFG-UKRRQHHQSA-N 1 0 378.318 2.720 20 0 GFADRO Cc1csc([C@@H](C)C[NH2+]Cc2cn(C)nc2I)n1 ZINC000894456528 663462707 /nfs/dbraw/zinc/46/27/07/663462707.db2.gz SAZBYBRUQVGOGZ-QMMMGPOBSA-N 1 0 376.267 2.683 20 0 GFADRO C[C@H]([NH2+]C1CCS(=O)CC1)c1ccc(Br)cc1OCCCO ZINC000894570884 663469543 /nfs/dbraw/zinc/46/95/43/663469543.db2.gz FZNWQEBTGSUBFH-SZECWLACSA-N 1 0 390.343 2.772 20 0 GFADRO COC(=O)[C@H](C[NH2+]Cc1sc(N2CCOCC2)nc1Cl)CC(C)C ZINC000894790385 663481990 /nfs/dbraw/zinc/48/19/90/663481990.db2.gz ILHPCXRWMJEWDZ-LBPRGKRZSA-N 1 0 375.922 2.558 20 0 GFADRO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+][C@@H]2CCC3(C[C@H]2F)OCCO3)c1 ZINC000894894419 663487393 /nfs/dbraw/zinc/48/73/93/663487393.db2.gz NQGHBOWBLXFNQT-HZPDHXFCSA-N 1 0 391.892 2.857 20 0 GFADRO CC(C)(C)OC(=O)N1CCC[C@](C)(C[NH2+]CCC(C)(C)S(C)(=O)=O)C1 ZINC000894910913 663487923 /nfs/dbraw/zinc/48/79/23/663487923.db2.gz SVZFKWCMJNQXGQ-GOSISDBHSA-N 1 0 376.563 2.827 20 0 GFADRO CCOC(=O)[C@@H]1CC[C@H]([NH2+]CCC(C)(C)S(C)(=O)=O)C[C@H]1C(F)(F)F ZINC000894911604 663488031 /nfs/dbraw/zinc/48/80/31/663488031.db2.gz ZVLCVLBIKOKMLV-YNEHKIRRSA-N 1 0 387.464 2.700 20 0 GFADRO Cc1[nH+]c2cc(NCc3c(Cl)nc(Cl)n3C)ccc2n1C(CO)CO ZINC000894924803 663488641 /nfs/dbraw/zinc/48/86/41/663488641.db2.gz IJSZPVNJEMVNIB-UHFFFAOYSA-N 1 0 384.267 2.523 20 0 GFADRO CC(=O)Nc1cc(Br)ccc1C[NH2+]CC(C)(C)[C@]1(O)CCOC1 ZINC000895113060 663500035 /nfs/dbraw/zinc/50/00/35/663500035.db2.gz CPXMGVXVCUBXCX-KRWDZBQOSA-N 1 0 385.302 2.675 20 0 GFADRO Cn1nc(Br)nc1C[NH2+]C[C@@H]1CCN(c2ccccc2Cl)C1 ZINC000895225062 663503765 /nfs/dbraw/zinc/50/37/65/663503765.db2.gz GNCQLBUHLMVCPM-NSHDSACASA-N 1 0 384.709 2.847 20 0 GFADRO Cc1nn(-c2cccc(Br)c2)cc1C[NH2+][C@H]1C(=O)NCC1(C)C ZINC000895322185 663508178 /nfs/dbraw/zinc/50/81/78/663508178.db2.gz RGYOCOJKSOLTME-HNNXBMFYSA-N 1 0 377.286 2.557 20 0 GFADRO COc1cc(C[N@@H+]2CC[C@H](c3nccs3)C2)cc(Cl)c1OCC(N)=O ZINC000895583497 663519645 /nfs/dbraw/zinc/51/96/45/663519645.db2.gz LEARURCENAOFEM-LBPRGKRZSA-N 1 0 381.885 2.659 20 0 GFADRO CC(C)(C)OC(=O)NC1(C[NH2+]C[C@H]2C[C@@]2(C)Br)CCOCC1 ZINC000895591246 663520221 /nfs/dbraw/zinc/52/02/21/663520221.db2.gz OTUFNXDBCGISNN-IUODEOHRSA-N 1 0 377.323 2.823 20 0 GFADRO CCO/C=C\[C@](O)(C[NH2+]Cc1ccc2c(c1)sc(=O)n2C)C(F)(F)F ZINC000895713453 663524739 /nfs/dbraw/zinc/52/47/39/663524739.db2.gz LKMAPGNXBKERIH-XHPSBEMXSA-N 1 0 376.400 2.533 20 0 GFADRO CSc1cc(Br)ccc1C[NH2+][C@@H]1C(=O)NCC12CCOCC2 ZINC000895772668 663527166 /nfs/dbraw/zinc/52/71/66/663527166.db2.gz UGQAVAQDDCGQCO-CQSZACIVSA-N 1 0 385.327 2.556 20 0 GFADRO CCOC(=O)c1nc(N[C@H](CC)CN2CCOCC2)ccc1Br ZINC000895802133 663528114 /nfs/dbraw/zinc/52/81/14/663528114.db2.gz YMNRWSXMUUBUNM-GFCCVEGCSA-N 1 0 386.290 2.544 20 0 GFADRO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1c(C)[nH]nc1I ZINC000895813162 663528664 /nfs/dbraw/zinc/52/86/64/663528664.db2.gz FBNZZUBLLJBOLX-SNVBAGLBSA-N 1 0 392.285 2.563 20 0 GFADRO COCCCC1(C[NH2+]Cc2c(I)cnn2C)CCC1 ZINC000895880986 663531829 /nfs/dbraw/zinc/53/18/29/663531829.db2.gz VOJADRAFUBCSNA-UHFFFAOYSA-N 1 0 377.270 2.711 20 0 GFADRO CC1CC[NH+](C[C@@H]2CCCN(C(=O)c3cn(C)nc3Br)C2)CC1 ZINC000896016730 663537717 /nfs/dbraw/zinc/53/77/17/663537717.db2.gz DWJXIZJAYPRPPF-AWEZNQCLSA-N 1 0 383.334 2.767 20 0 GFADRO O=C(NCc1ccsc1C(F)(F)F)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000896077163 663539932 /nfs/dbraw/zinc/53/99/32/663539932.db2.gz XKGVCNWRIYANNO-STQMWFEESA-N 1 0 377.432 2.508 20 0 GFADRO C[C@]1([C@@H]2CCC[N@H+](Cc3cn4ccc(Br)cc4n3)C2)COC(=O)N1 ZINC000896393614 663554980 /nfs/dbraw/zinc/55/49/80/663554980.db2.gz JJTOEZDEODDMQY-SJKOYZFVSA-N 1 0 393.285 2.807 20 0 GFADRO CN1CCC[C@@H]1c1cc(C(=O)NC[C@H](O)c2cc(Cl)cc(Cl)c2)[nH]n1 ZINC000896441117 663557521 /nfs/dbraw/zinc/55/75/21/663557521.db2.gz QVQIVHANSXNMDS-CVEARBPZSA-N 1 0 383.279 2.947 20 0 GFADRO C[C@@H](NC(=O)C(F)(F)c1cc(Cl)ccc1Cl)[C@H]1C[N@H+](C)CCN1C ZINC000896532195 663561402 /nfs/dbraw/zinc/56/14/02/663561402.db2.gz AYSDYUGHYYIRHS-QMTHXVAHSA-N 1 0 380.266 2.836 20 0 GFADRO C[C@@H](NC(=O)C(F)(F)c1cccc(Cl)c1Cl)[C@@H]1C[N@H+](C)CCN1C ZINC000896534166 663562246 /nfs/dbraw/zinc/56/22/46/663562246.db2.gz KSWZSHFSQDNSNZ-MFKMUULPSA-N 1 0 380.266 2.836 20 0 GFADRO Cc1cc(Br)c(C(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCN2C)cc1Cl ZINC000896540607 663562498 /nfs/dbraw/zinc/56/24/98/663562498.db2.gz GBXGHFJNUUDSEJ-NHYWBVRUSA-N 1 0 388.737 2.775 20 0 GFADRO C[C@@H](NC(=O)c1cc(Cl)cc(F)c1Br)[C@H]1C[N@H+](C)CCN1C ZINC000896542956 663562582 /nfs/dbraw/zinc/56/25/82/663562582.db2.gz UUBBFCSYEAFXDN-NOZJJQNGSA-N 1 0 392.700 2.606 20 0 GFADRO Cc1cc(Br)cc2cc(C(=O)N[C@H](C)[C@@H]3C[N@H+](C)CCN3C)oc21 ZINC000896548572 663562874 /nfs/dbraw/zinc/56/28/74/663562874.db2.gz KHRSHJRZCMILTH-DOMZBBRYSA-N 1 0 394.313 2.868 20 0 GFADRO C[C@@H]1C[C@H](C[NH2+]CC(C)(C)CS(C)(=O)=O)CCN1C(=O)OC(C)(C)C ZINC000896870856 663580133 /nfs/dbraw/zinc/58/01/33/663580133.db2.gz SJOWQWFVHKSJEE-HUUCEWRRSA-N 1 0 376.563 2.682 20 0 GFADRO CC(C)(C)OC(=O)N1CC[C@@H]1C[NH2+]Cc1cnn2cc(Br)cnc12 ZINC000896907380 663581129 /nfs/dbraw/zinc/58/11/29/663581129.db2.gz LYAJGBUIROECSP-CYBMUJFWSA-N 1 0 396.289 2.591 20 0 GFADRO Cc1c(Br)cc(-c2noc([C@H]3CC[N@H+](C)[C@@H](C)C3)n2)c(=O)n1C ZINC000896996940 663585263 /nfs/dbraw/zinc/58/52/63/663585263.db2.gz UQJQSTMPESVQEB-ONGXEEELSA-N 1 0 381.274 2.704 20 0 GFADRO Cc1c(Br)cc(-c2noc(CN3CCC(C)CC3)n2)c(=O)n1C ZINC000896999962 663585747 /nfs/dbraw/zinc/58/57/47/663585747.db2.gz SFKFYIAYAHCYCW-UHFFFAOYSA-N 1 0 381.274 2.738 20 0 GFADRO O=C1NC[C@H](O)CC12CC[NH+](Cc1cc3cc(Br)ccc3o1)CC2 ZINC000897045115 663587984 /nfs/dbraw/zinc/58/79/84/663587984.db2.gz FDRWIBMCEKLARB-CQSZACIVSA-N 1 0 393.281 2.658 20 0 GFADRO OCC[N@@H+]1CCC[C@@H]2[C@@H]1CCN2c1ncnc2cc(F)c(Br)cc21 ZINC000897221336 663595645 /nfs/dbraw/zinc/59/56/45/663595645.db2.gz LOMIJPNIBZOSMK-JKSUJKDBSA-N 1 0 395.276 2.567 20 0 GFADRO O[C@H]1CCOC2(CC[NH+](Cc3cn4ccc(Br)cc4n3)CC2)C1 ZINC000897257597 663596933 /nfs/dbraw/zinc/59/69/33/663596933.db2.gz AFVVBEOLAOYLLS-HNNXBMFYSA-N 1 0 380.286 2.603 20 0 GFADRO O[C@H]1CCOC2(CC[NH+](Cc3cc(Br)cc4c3OCC4)CC2)C1 ZINC000897260518 663597264 /nfs/dbraw/zinc/59/72/64/663597264.db2.gz FBDKGYBOXKAFQL-INIZCTEOSA-N 1 0 382.298 2.890 20 0 GFADRO O=C(N[C@H](c1cncc(Br)c1)C1CC1)C1C[NH+](C2CCOCC2)C1 ZINC000897696875 663616190 /nfs/dbraw/zinc/61/61/90/663616190.db2.gz QDXIGINSHGQOGW-KRWDZBQOSA-N 1 0 394.313 2.522 20 0 GFADRO CCOC(=O)C1([C@@H](C)[NH2+]Cc2cc(C)c(Br)cn2)CCOCC1 ZINC000897740514 663617839 /nfs/dbraw/zinc/61/78/39/663617839.db2.gz APVFIKJNPQMGFL-CYBMUJFWSA-N 1 0 385.302 2.991 20 0 GFADRO O=C(N[C@H]1C[C@H](c2ccc(Br)cc2)C1)C1C[NH+]([C@H]2CCOC2)C1 ZINC000897808895 663621133 /nfs/dbraw/zinc/62/11/33/663621133.db2.gz QDRXIQHJYWPAQS-JQFCIGGWSA-N 1 0 379.298 2.532 20 0 GFADRO Cc1cc(NC(=O)c2c[nH]nc2I)ccc1C[NH+](C)C ZINC000897962183 663627154 /nfs/dbraw/zinc/62/71/54/663627154.db2.gz HIAYAGZUSNOHTG-UHFFFAOYSA-N 1 0 384.221 2.637 20 0 GFADRO COc1cc(C[NH2+][C@H]2Cc3cc(Br)cnc3NC2=O)cc(OC)c1 ZINC000897977479 663627970 /nfs/dbraw/zinc/62/79/70/663627970.db2.gz IBOAOJZZZBNRLB-HNNXBMFYSA-N 1 0 392.253 2.514 20 0 GFADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]C[C@@H]1CCCC(C)(C)O1 ZINC000898049957 663631241 /nfs/dbraw/zinc/63/12/41/663631241.db2.gz NZQYJDGBDXOXNN-KGLIPLIRSA-N 1 0 389.949 2.642 20 0 GFADRO O=c1cc(N2CC[C@@H]([NH2+][C@H]3CCc4cc(Br)ccc4C3)C2)nc[nH]1 ZINC000898158011 663636393 /nfs/dbraw/zinc/63/63/93/663636393.db2.gz PPOKMRWYECHVAR-JKSUJKDBSA-N 1 0 389.297 2.671 20 0 GFADRO CC[C@H](Cc1cccs1)[NH2+][C@@H]1CCS(=O)(=O)C2(CC(C(=O)OC)C2)C1 ZINC000898486649 663652064 /nfs/dbraw/zinc/65/20/64/663652064.db2.gz FHDKFLRGJDGAJT-NWPKHEMWSA-N 1 0 385.551 2.558 20 0 GFADRO C[N@@H+]1CC[C@H](N[C@@H](CO)c2ccccc2I)CC1(C)C ZINC000898511561 663653541 /nfs/dbraw/zinc/65/35/41/663653541.db2.gz DWGVKGUGYXAQKA-WFASDCNBSA-N 1 0 388.293 2.787 20 0 GFADRO CCC[NH+]1CCC(N[C@H](CO)c2ccccc2I)CC1 ZINC000898511756 663653587 /nfs/dbraw/zinc/65/35/87/663653587.db2.gz FOEOFJBWILQABE-MRXNPFEDSA-N 1 0 388.293 2.789 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)C(=O)NCc1cscc1Cl)c1cccc(F)c1 ZINC000898589372 663657623 /nfs/dbraw/zinc/65/76/23/663657623.db2.gz SDYWTQQRWNCUKP-OAHLLOKOSA-N 1 0 383.876 2.576 20 0 GFADRO O=C(c1ncc(Br)cc1Br)N1CC([NH+]2CCCC2)C1 ZINC000898606157 663657887 /nfs/dbraw/zinc/65/78/87/663657887.db2.gz PAUVTWXSXLXQQZ-UHFFFAOYSA-N 1 0 389.091 2.527 20 0 GFADRO COc1cc(F)c(C[NH2+][C@@H]2CCc3ncc(Br)n3C2)cc1OC ZINC000898721805 663660576 /nfs/dbraw/zinc/66/05/76/663660576.db2.gz VRBJJFWWLAPNIB-LLVKDONJSA-N 1 0 384.249 2.907 20 0 GFADRO C[NH+](C)[C@@H]1C[C@@H](NC(=O)C2(c3cncc(Br)c3)CC2)C12CCC2 ZINC000898833136 663665757 /nfs/dbraw/zinc/66/57/57/663665757.db2.gz ZXDXUEXPXUPXMS-HUUCEWRRSA-N 1 0 378.314 2.865 20 0 GFADRO O=C(C1C[NH+](C2CCOCC2)C1)N1CCc2cc(F)cc(Br)c2C1 ZINC000899151548 663677927 /nfs/dbraw/zinc/67/79/27/663677927.db2.gz YOKAYYCSDRCBTI-UHFFFAOYSA-N 1 0 397.288 2.584 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@@H]1C(=O)N1CC[C@@H](O)[C@H]1c1ccc(Br)cc1 ZINC000899147419 663677935 /nfs/dbraw/zinc/67/79/35/663677935.db2.gz FPWSLHCHTILWQI-BZUAXINKSA-N 1 0 381.314 2.956 20 0 GFADRO Cc1nc(-c2ccc(CNC(=O)c3ccnn3CC[NH+](C)C)s2)cs1 ZINC000900006523 663706392 /nfs/dbraw/zinc/70/63/92/663706392.db2.gz DJQGDUUAYKCKLA-UHFFFAOYSA-N 1 0 375.523 2.868 20 0 GFADRO O=C(NCc1ccccc1Br)C1CCC([NH+]2CCOCC2)CC1 ZINC000900124756 663708656 /nfs/dbraw/zinc/70/86/56/663708656.db2.gz RXLNRWRGOSWQGJ-UHFFFAOYSA-N 1 0 381.314 2.956 20 0 GFADRO CCn1c(Br)ncc1C(=O)Nc1cc(C[NH+](C)C)ccc1OC ZINC000900174325 663709237 /nfs/dbraw/zinc/70/92/37/663709237.db2.gz JNRYDAHCHLWBGL-UHFFFAOYSA-N 1 0 381.274 2.988 20 0 GFADRO CC(C)[NH+]1CCN(CCC(=O)N[C@@H]2CCc3c2cccc3Br)CC1 ZINC000900541142 663716539 /nfs/dbraw/zinc/71/65/39/663716539.db2.gz BFHNDKZFCUMARC-GOSISDBHSA-N 1 0 394.357 2.969 20 0 GFADRO Cc1ccc(F)c(Br)c1C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000900725776 663720373 /nfs/dbraw/zinc/72/03/73/663720373.db2.gz OGAFDDAKJZZUBL-CQSZACIVSA-N 1 0 398.320 2.749 20 0 GFADRO COC(=O)[C@@H](c1cccc(Br)c1)N(C)C(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC000901275122 663733566 /nfs/dbraw/zinc/73/35/66/663733566.db2.gz DNYNQRFFDPSPGI-QAPCUYQASA-N 1 0 395.297 2.608 20 0 GFADRO [NH3+]C1CCN(Cc2cc(C(=O)Nc3ccccc3Br)no2)CC1 ZINC000901390262 663735108 /nfs/dbraw/zinc/73/51/08/663735108.db2.gz KYKICWVBOSOJFK-UHFFFAOYSA-N 1 0 379.258 2.613 20 0 GFADRO NC(=O)[C@@H]([NH2+]CCc1nc2c(s1)CCC2)c1ccc(Br)cc1 ZINC000901578799 663738361 /nfs/dbraw/zinc/73/83/61/663738361.db2.gz JEDXVPGXFBVZJK-HNNXBMFYSA-N 1 0 380.311 2.753 20 0 GFADRO CN(C)C(=O)[C@@H]([NH2+]CC1(n2cc(Br)cn2)CC1)c1ccccc1 ZINC000901606154 663739097 /nfs/dbraw/zinc/73/90/97/663739097.db2.gz BOPMSRRWJYXZCG-HNNXBMFYSA-N 1 0 377.286 2.554 20 0 GFADRO CC1(C[NH2+][C@H](C(N)=O)c2ccc(Br)cc2)CCC2(CC1)OCCO2 ZINC000901656469 663740806 /nfs/dbraw/zinc/74/08/06/663740806.db2.gz YEZPEORGMMJYOI-HNNXBMFYSA-N 1 0 397.313 2.889 20 0 GFADRO C[C@H]([NH2+][C@H]1CCc2ncc(Br)n2C1)C(=O)Nc1cccnc1Cl ZINC000901728499 663743814 /nfs/dbraw/zinc/74/38/14/663743814.db2.gz OBZUYBCFDNJOID-UWVGGRQHSA-N 1 0 398.692 2.626 20 0 GFADRO O=C([O-])CCC[NH+]1CCC([NH2+][C@H]2COc3cccc(Br)c3C2)CC1 ZINC000902498264 663762201 /nfs/dbraw/zinc/76/22/01/663762201.db2.gz YOUVVASFYBUKPZ-CQSZACIVSA-N 1 0 397.313 2.671 20 0 GFADRO CC[NH+]1CCC(NC(=O)Cn2cc(Br)c(-c3ccccc3)n2)CC1 ZINC000902593320 663764194 /nfs/dbraw/zinc/76/41/94/663764194.db2.gz CDYXTQFSDLDUAT-UHFFFAOYSA-N 1 0 391.313 2.913 20 0 GFADRO Cn1nnnc1CCC[NH2+]Cc1cc(Br)sc1Br ZINC000902695417 663766282 /nfs/dbraw/zinc/76/62/82/663766282.db2.gz FLNZZZGUFHNJKG-UHFFFAOYSA-N 1 0 395.124 2.519 20 0 GFADRO CNc1ccc(C)cc1C[NH2+][C@@H]1Cc2cc(Br)cnc2NC1=O ZINC000902694153 663766294 /nfs/dbraw/zinc/76/62/94/663766294.db2.gz YAPOIAMEQXTWHF-OAHLLOKOSA-N 1 0 375.270 2.847 20 0 GFADRO O=S(=O)([C@H]1CC[N@H+](Cc2ccccc2)C1)N(Cc1ccns1)C1CC1 ZINC000902722469 663766780 /nfs/dbraw/zinc/76/67/80/663766780.db2.gz YEBRDLAVSZJROB-SFHVURJKSA-N 1 0 377.535 2.712 20 0 GFADRO C[C@@H]([NH2+]C[C@]1(N2CCOCC2)CCSC1)c1ccc(C(F)(F)F)cn1 ZINC000902765794 663767228 /nfs/dbraw/zinc/76/72/28/663767228.db2.gz BZKNYTIFZUPTDE-CZUORRHYSA-N 1 0 375.460 2.959 20 0 GFADRO Brc1ccc(-n2ccc(C[NH2+][C@H]3CCO[C@@]34CCOC4)n2)cc1 ZINC000903220125 663778756 /nfs/dbraw/zinc/77/87/56/663778756.db2.gz KVRXKHKJBLBIMM-DLBZAZTESA-N 1 0 378.270 2.672 20 0 GFADRO Brc1cccc([C@H]([NH2+]CCN2CCCOCC2)[C@@H]2CCOC2)c1 ZINC000903225860 663779182 /nfs/dbraw/zinc/77/91/82/663779182.db2.gz CIIHMYWPZYFPPU-AEFFLSMTSA-N 1 0 383.330 2.839 20 0 GFADRO C[C@H](CCNS(=O)(=O)c1ccccc1)[NH2+][C@H](C)C1(Br)CC1 ZINC000903231564 663779840 /nfs/dbraw/zinc/77/98/40/663779840.db2.gz OFEYNWHXAUZISY-CHWSQXEVSA-N 1 0 375.332 2.649 20 0 GFADRO CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+]C[C@]2(OC)CCSC2)cc1 ZINC000903309457 663781299 /nfs/dbraw/zinc/78/12/99/663781299.db2.gz DUSNDRHOAZEWKA-MAUKXSAKSA-N 1 0 386.583 2.890 20 0 GFADRO COc1cc([C@@H](C)[NH2+]C[C@]2(OC)CCSC2)ccc1S(=O)(=O)C(F)F ZINC000903310978 663781336 /nfs/dbraw/zinc/78/13/36/663781336.db2.gz POMMLMLISSBPSB-BDJLRTHQSA-N 1 0 395.493 2.864 20 0 GFADRO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NCc1ncc(Br)cn1 ZINC000903318460 663781376 /nfs/dbraw/zinc/78/13/76/663781376.db2.gz KVPDEMIOSDKJTE-CZUORRHYSA-N 1 0 376.302 2.634 20 0 GFADRO CCc1ccc([C@H](C)[NH2+][C@@H]2CCS(=O)(=O)C3(CC(C(=O)OC)C3)C2)s1 ZINC000903451949 663785038 /nfs/dbraw/zinc/78/50/38/663785038.db2.gz JMSICMCCDWVRBJ-DWBBHFSCSA-N 1 0 385.551 2.860 20 0 GFADRO COC(=O)C1CC2(C1)C[C@@H]([NH2+][C@H](C)c1cc(C)sc1C)CCS2(=O)=O ZINC000903453133 663785101 /nfs/dbraw/zinc/78/51/01/663785101.db2.gz SWDQHISOYZEEFU-JHSBQLIOSA-N 1 0 385.551 2.915 20 0 GFADRO [NH3+]Cc1cn([C@H]2CCCN(Cc3cccc(Cl)c3Br)C2)nn1 ZINC000903458916 663785192 /nfs/dbraw/zinc/78/51/92/663785192.db2.gz MYXWJRWOEKZXKB-ZDUSSCGKSA-N 1 0 384.709 2.990 20 0 GFADRO C[C@@H]([NH2+][C@H]1CCc2ncc(Br)n2C1)c1cnnn1-c1ccccc1 ZINC000903480255 663785517 /nfs/dbraw/zinc/78/55/17/663785517.db2.gz OJKVSGNMWOQAHZ-OLZOCXBDSA-N 1 0 387.285 2.892 20 0 GFADRO [NH3+]C[C@@H]1CC[C@H](NS(=O)(=O)Cc2cccc(Cl)c2Br)C1 ZINC000903522627 663787106 /nfs/dbraw/zinc/78/71/06/663787106.db2.gz UUOGOINJTBYMTA-KOLCDFICSA-N 1 0 381.723 2.649 20 0 GFADRO [NH3+][C@@H]1CN(CC(=O)Nc2ccc(Br)cc2)CC[C@H]1C(F)(F)F ZINC000903535273 663787583 /nfs/dbraw/zinc/78/75/83/663787583.db2.gz WYUZHNNXOFJUKM-VXGBXAGGSA-N 1 0 380.208 2.599 20 0 GFADRO O=S(=O)(NC1(C2CC[NH2+]CC2)CC1)c1c[nH]c2cc(Br)ccc21 ZINC000903555118 663788565 /nfs/dbraw/zinc/78/85/65/663788565.db2.gz AJIQREAINURJAY-UHFFFAOYSA-N 1 0 398.326 2.741 20 0 GFADRO [NH3+][C@@H]1CN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC[C@@H]1C(F)(F)F ZINC000903577433 663789827 /nfs/dbraw/zinc/78/98/27/663789827.db2.gz KQORPMPJPFWZNZ-WDEREUQCSA-N 1 0 376.322 2.606 20 0 GFADRO [NH3+][C@@H]1CN(S(=O)(=O)c2c(Cl)cccc2Cl)CC[C@H]1C(F)(F)F ZINC000903578302 663789920 /nfs/dbraw/zinc/78/99/20/663789920.db2.gz FSQHZBCGCLCICR-GMSGAONNSA-N 1 0 377.215 2.894 20 0 GFADRO [NH3+][C@@H]1CN(S(=O)(=O)c2ccc3ccnc(Cl)c3c2)CC[C@@H]1C(F)(F)F ZINC000903581625 663790370 /nfs/dbraw/zinc/79/03/70/663790370.db2.gz ORPKBIPZMWXXCS-QWHCGFSZSA-N 1 0 393.818 2.788 20 0 GFADRO [NH3+]C[C@@]12CC[C@H]1CCN2S(=O)(=O)c1cccc(Br)c1Cl ZINC000903590715 663790786 /nfs/dbraw/zinc/79/07/86/663790786.db2.gz YUCFYJJDCMQNGY-ZANVPECISA-N 1 0 379.707 2.604 20 0 GFADRO Brc1ccc([C@@H]2COCCN2C[C@H]2CC3(CO2)CC[NH2+]CC3)cc1 ZINC000903767150 663806146 /nfs/dbraw/zinc/80/61/46/663806146.db2.gz UTZJJJJDFYZWQV-MSOLQXFVSA-N 1 0 395.341 2.981 20 0 GFADRO Brc1ccc2c(c1)OCCN(C[C@H]1CC3(CO1)CC[NH2+]CC3)C2 ZINC000903766075 663806182 /nfs/dbraw/zinc/80/61/82/663806182.db2.gz OATCARWXKSNBDD-MRXNPFEDSA-N 1 0 381.314 2.802 20 0 GFADRO Cc1cc(CN(C)C2(C[NH3+])CCOCC2)c(C)cc1I ZINC000903810164 663807231 /nfs/dbraw/zinc/80/72/31/663807231.db2.gz ZUCKFXFRFJQVTE-UHFFFAOYSA-N 1 0 388.293 2.848 20 0 GFADRO O[C@@H](COc1ccc(Cl)cc1Cl)CN1CC[NH2+]CCC12CCOCC2 ZINC000903819336 663807466 /nfs/dbraw/zinc/80/74/66/663807466.db2.gz HASRCCVRITVPJV-OAHLLOKOSA-N 1 0 389.323 2.578 20 0 GFADRO Cc1c(C[C@H](C[NH3+])CNc2ccc(C)c(I)c2)cnn1C ZINC000903920937 663811583 /nfs/dbraw/zinc/81/15/83/663811583.db2.gz YDAWZSISSGOMNM-CYBMUJFWSA-N 1 0 398.292 2.871 20 0 GFADRO Cc1c(C[C@@H](C[NH3+])CNc2ccc(C)c(I)c2)cnn1C ZINC000903920938 663811709 /nfs/dbraw/zinc/81/17/09/663811709.db2.gz YDAWZSISSGOMNM-ZDUSSCGKSA-N 1 0 398.292 2.871 20 0 GFADRO Fc1cc(Br)c2c(c1)CCN(Cc1cnnn1[C@@H]1CCC[NH2+]C1)C2 ZINC000903935651 663812833 /nfs/dbraw/zinc/81/28/33/663812833.db2.gz RQCOYKNKOBCKEB-CQSZACIVSA-N 1 0 394.292 2.663 20 0 GFADRO Fc1ccc2c(c1Br)CN(Cc1cnnn1[C@H]1CCC[NH2+]C1)CC2 ZINC000903936375 663812839 /nfs/dbraw/zinc/81/28/39/663812839.db2.gz ZYZLCDLAQNSSBS-ZDUSSCGKSA-N 1 0 394.292 2.663 20 0 GFADRO [NH3+]Cc1nc2c(s1)CCN(Cc1ccccc1I)C2 ZINC000903940886 663813075 /nfs/dbraw/zinc/81/30/75/663813075.db2.gz IDPUDTXKEKIGAR-UHFFFAOYSA-N 1 0 385.274 2.765 20 0 GFADRO [NH3+]Cc1nc2c(s1)CCN(Cc1nc3ccccn3c1Br)C2 ZINC000903944974 663813401 /nfs/dbraw/zinc/81/34/01/663813401.db2.gz OPHPDWOOPRZMDK-UHFFFAOYSA-N 1 0 378.299 2.570 20 0 GFADRO Nc1nc(CNC(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)cs1 ZINC000904320953 663830427 /nfs/dbraw/zinc/83/04/27/663830427.db2.gz RNOQDSAAIZRDOQ-UHFFFAOYSA-N 1 0 377.539 2.638 20 0 GFADRO COCC[C@@H]1C[NH2+]CCN1C(=O)Nc1cc(F)c(Br)cc1F ZINC000904392712 663832284 /nfs/dbraw/zinc/83/22/84/663832284.db2.gz XZDRPBVJWRTEFZ-SECBINFHSA-N 1 0 378.217 2.570 20 0 GFADRO COc1cc(NC(=O)N2CCC[C@@]23CC[NH2+]C3)cc(OC)c1Br ZINC000904405289 663832785 /nfs/dbraw/zinc/83/27/85/663832785.db2.gz KEMGLUWPPYVRMO-INIZCTEOSA-N 1 0 384.274 2.826 20 0 GFADRO COC(=O)c1cc(NC(=O)N2CCC[C@]23CC[NH2+]C3)ccc1Br ZINC000904406627 663833079 /nfs/dbraw/zinc/83/30/79/663833079.db2.gz IFQQBBXVZQAJJW-MRXNPFEDSA-N 1 0 382.258 2.596 20 0 GFADRO COCCOc1ccc(Br)cc1NC(=O)N1CC[C@H]2CC[C@@]21C[NH3+] ZINC000904411347 663833275 /nfs/dbraw/zinc/83/32/75/663833275.db2.gz UVYOPHDCHXWFQJ-SJKOYZFVSA-N 1 0 398.301 2.819 20 0 GFADRO COCC[C@@H]1C[NH2+]CCN1C(=O)Nc1nc(-c2cccc(Cl)c2)ns1 ZINC000904418002 663833417 /nfs/dbraw/zinc/83/34/17/663833417.db2.gz SEFMCYWTFKQNDL-CYBMUJFWSA-N 1 0 381.889 2.701 20 0 GFADRO Cc1ccc(I)cc1NC(=O)N1CC[C@H]2CC[C@@]21C[NH3+] ZINC000904424692 663833670 /nfs/dbraw/zinc/83/36/70/663833670.db2.gz KDTHEKBPFXSDBC-IAQYHMDHSA-N 1 0 385.249 2.945 20 0 GFADRO Cc1cnc(Br)cc1NC(=O)N1CC[NH2+]CCC12CCOCC2 ZINC000904425483 663833707 /nfs/dbraw/zinc/83/37/07/663833707.db2.gz OCSITJJJEZMZGV-UHFFFAOYSA-N 1 0 383.290 2.529 20 0 GFADRO COC(=O)c1c(Br)ccc(NC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)c1C ZINC000904445590 663834781 /nfs/dbraw/zinc/83/47/81/663834781.db2.gz XOEGAYOSNHLJJV-JIMOISOXSA-N 1 0 382.258 2.559 20 0 GFADRO CNC(=O)c1cccc(NC(=O)N2CCC[C@H]3CC[C@@]32C[NH3+])c1Br ZINC000904483429 663835689 /nfs/dbraw/zinc/83/56/89/663835689.db2.gz JGHDHPMMEUMHIG-APPDUMDISA-N 1 0 395.301 2.544 20 0 GFADRO CNC(=O)c1cccc(NC(=O)N2CCC[C@H](C)[C@H]2CC[NH3+])c1Br ZINC000904486231 663836321 /nfs/dbraw/zinc/83/63/21/663836321.db2.gz YJUQDSXIIQQONP-SMDDNHRTSA-N 1 0 397.317 2.790 20 0 GFADRO [NH3+]Cc1ccccc1NC(=O)NC[C@H](CO)Cc1cccc(Br)c1 ZINC000904641730 663839290 /nfs/dbraw/zinc/83/92/90/663839290.db2.gz YRRWGRPGLIYVMA-CQSZACIVSA-N 1 0 392.297 2.881 20 0 GFADRO Brc1cc2c(cc1Cc1noc(C3=CCC[NH2+]CC3)n1)OCO2 ZINC000904667519 663839746 /nfs/dbraw/zinc/83/97/46/663839746.db2.gz YHUYPVGVRKNRTG-UHFFFAOYSA-N 1 0 378.226 2.918 20 0 GFADRO Brc1ccc(-c2noc([C@@H]3CC[NH2+][C@@H]([C@@H]4CCCO4)C3)n2)nc1 ZINC000904683421 663840965 /nfs/dbraw/zinc/84/09/65/663840965.db2.gz RHZNJBDCOUWFNQ-HONMWMINSA-N 1 0 379.258 2.909 20 0 GFADRO Brc1ccc(-c2noc([C@@H]3CC[NH2+][C@H]([C@@H]4CCCO4)C3)n2)nc1 ZINC000904683423 663841058 /nfs/dbraw/zinc/84/10/58/663841058.db2.gz RHZNJBDCOUWFNQ-SWHYSGLUSA-N 1 0 379.258 2.909 20 0 GFADRO Cn1ncc(-c2noc(C[C@@H]([NH3+])Cc3ccc(Br)cc3)n2)c1Cl ZINC000904735152 663842777 /nfs/dbraw/zinc/84/27/77/663842777.db2.gz GZJPLPXIMMKGSE-NSHDSACASA-N 1 0 396.676 2.999 20 0 GFADRO COc1cc(Br)c(C[NH2+]C[C@@H](O)CCC2(O)CCC2)cc1OC ZINC000905087202 663852259 /nfs/dbraw/zinc/85/22/59/663852259.db2.gz FFMRKLSAMUUVAI-ZDUSSCGKSA-N 1 0 388.302 2.612 20 0 GFADRO CC(C)[NH+]1CCC(NC(=O)c2cnnn2-c2ccccc2Br)CC1 ZINC000905345467 663866460 /nfs/dbraw/zinc/86/64/60/663866460.db2.gz PCULALLPCGQLJX-UHFFFAOYSA-N 1 0 392.301 2.632 20 0 GFADRO O[C@@H](C[NH2+]C[C@@H](O)C[C@@H](O)c1ccccc1)c1ccccc1Br ZINC000905366615 663867585 /nfs/dbraw/zinc/86/75/85/663867585.db2.gz HALWYQRXDOHFRU-QGTPRVQTSA-N 1 0 380.282 2.557 20 0 GFADRO CC(C)[NH+]1CCN(CCC[NH2+][C@@H](C(=O)[O-])c2ccccc2Br)CC1 ZINC000905393651 663869228 /nfs/dbraw/zinc/86/92/28/663869228.db2.gz AYNJABAXFYAFOQ-QGZVFWFLSA-N 1 0 398.345 2.581 20 0 GFADRO COC(=O)C1CC2(C1)C[C@H]([NH2+]C[C@@H](O)c1ccccc1Br)CCO2 ZINC000905489984 663873902 /nfs/dbraw/zinc/87/39/02/663873902.db2.gz NWFJGHVWTJWBKD-VERQELPRSA-N 1 0 398.297 2.573 20 0 GFADRO O[C@@H](C[NH2+]Cc1cc(Br)c2ccccc2c1)C1(O)CCOCC1 ZINC000905517651 663875318 /nfs/dbraw/zinc/87/53/18/663875318.db2.gz SROLNAKMERAVSQ-KRWDZBQOSA-N 1 0 380.282 2.594 20 0 GFADRO O=C(CC[NH2+]CC1(C2(O)CCOCC2)CC1)Nc1ccc(Br)cc1 ZINC000905550960 663878094 /nfs/dbraw/zinc/87/80/94/663878094.db2.gz HHEKBIMEQNQWFA-UHFFFAOYSA-N 1 0 397.313 2.689 20 0 GFADRO CS(=O)(=O)c1ccccc1CC[NH2+]CCC(=O)Nc1cccc(Cl)c1 ZINC000905557102 663878306 /nfs/dbraw/zinc/87/83/06/663878306.db2.gz SKEUFNVZHILKPH-UHFFFAOYSA-N 1 0 380.897 2.904 20 0 GFADRO Cn1nc(C2CC2)cc1C[NH2+]C[C@@H](O)COc1cccc(Br)c1 ZINC000905620242 663882026 /nfs/dbraw/zinc/88/20/26/663882026.db2.gz QZOARXMYGCXHGT-OAHLLOKOSA-N 1 0 380.286 2.590 20 0 GFADRO COC(=O)[C@H]1C[C@@H]2C[C@H]([NH2+]C[C@@H](O)COc3cc(Cl)ccc3Cl)[C@@H]2C1 ZINC000905655412 663884033 /nfs/dbraw/zinc/88/40/33/663884033.db2.gz WNOCOAZEMQGAGJ-JYCXNCNHSA-N 1 0 388.291 2.910 20 0 GFADRO Cc1nn(C)c(NC(=O)[C@H]2CC[N@H+](Cc3ccccc3)C2)c1Br ZINC000905830442 663894341 /nfs/dbraw/zinc/89/43/41/663894341.db2.gz RKDJYGBCDDRUKJ-AWEZNQCLSA-N 1 0 377.286 2.952 20 0 GFADRO CC(C)(C)[S@](C)(=O)=NS(=O)(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000906058272 663915832 /nfs/dbraw/zinc/91/58/32/663915832.db2.gz TYMFSQXZVZVPPC-DEOSSOPVSA-N 1 0 387.571 2.878 20 0 GFADRO C[C@@H](CNC(=O)c1nscc1I)[N@@H+]1CCC[C@H](C)C1 ZINC000906169669 663930393 /nfs/dbraw/zinc/93/03/93/663930393.db2.gz YUXOVAUVDQXQDH-UWVGGRQHSA-N 1 0 393.294 2.598 20 0 GFADRO O=C(c1cc(Br)cn(C2CC2)c1=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000906461928 663950410 /nfs/dbraw/zinc/95/04/10/663950410.db2.gz ZTLPTKJOEXOOMN-HNNXBMFYSA-N 1 0 394.313 2.646 20 0 GFADRO CC(C)([NH3+])c1ccc(NC(=O)C(=O)N2CC[C@@]3(C)[C@@H](C2)C3(Cl)Cl)cc1 ZINC000906673068 663964421 /nfs/dbraw/zinc/96/44/21/663964421.db2.gz YPHSRINOLTZUQZ-DYVFJYSZSA-N 1 0 384.307 2.861 20 0 GFADRO CSc1nc2ccc(NC(=O)C(=O)NC[C@@H]3CCCCC[NH2+]3)cc2s1 ZINC000906731428 663967347 /nfs/dbraw/zinc/96/73/47/663967347.db2.gz HJPWFIKYORASAM-LBPRGKRZSA-N 1 0 378.523 2.605 20 0 GFADRO [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(=O)Nc1ccc(Cl)cc1C(F)(F)F)C2 ZINC000906758038 663968965 /nfs/dbraw/zinc/96/89/65/663968965.db2.gz ZXGPABXGYWUVTH-LSJOCFKGSA-N 1 0 375.778 2.636 20 0 GFADRO C[C@@H]1C[C@H](N(C)C(=O)c2cc(Br)cn(C3CC3)c2=O)CC[N@@H+]1C ZINC000906792127 663971124 /nfs/dbraw/zinc/97/11/24/663971124.db2.gz MSSXYFJZROKIRH-BXUZGUMPSA-N 1 0 382.302 2.500 20 0 GFADRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)C[C@H](O)C(Cl)(Cl)Cl)CC1 ZINC000907102605 664002147 /nfs/dbraw/zinc/00/21/47/664002147.db2.gz SEMSNZAOBXGZOK-RISCZKNCSA-N 1 0 394.730 2.844 20 0 GFADRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)c1cc(Br)cn(C2CC2)c1=O ZINC000907170379 664008891 /nfs/dbraw/zinc/00/88/91/664008891.db2.gz FHOKAEVSUQIGJG-LBPRGKRZSA-N 1 0 396.329 2.748 20 0 GFADRO COC1(CS(=O)(=O)N(C)C[C@H]2CC[N@H+](Cc3ccc(C)s3)C2)CCC1 ZINC000907348165 664027367 /nfs/dbraw/zinc/02/73/67/664027367.db2.gz ZAEFKXVZYPYTEP-MRXNPFEDSA-N 1 0 386.583 2.709 20 0 GFADRO COc1cc(C)c(Br)cc1NC(=O)C1C[NH+](C2CCOCC2)C1 ZINC000907397802 664031369 /nfs/dbraw/zinc/03/13/69/664031369.db2.gz MIEPUPMISWNBRM-UHFFFAOYSA-N 1 0 383.286 2.815 20 0 GFADRO CC(C)[N@@H+]1CCC[C@H](NC(=O)c2cc(Br)cn(C3CC3)c2=O)C1 ZINC000907431163 664034230 /nfs/dbraw/zinc/03/42/30/664034230.db2.gz FAOFHEJGIGRKEV-ZDUSSCGKSA-N 1 0 382.302 2.548 20 0 GFADRO O=C(NCc1cc(Br)ccc1Br)C12CC[NH+](CC1)C2 ZINC000907490139 664040419 /nfs/dbraw/zinc/04/04/19/664040419.db2.gz BAQHKUGICMEXSV-UHFFFAOYSA-N 1 0 388.103 2.924 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)c1ccc(Cn2cc(Br)cn2)s1 ZINC000907518929 664043026 /nfs/dbraw/zinc/04/30/26/664043026.db2.gz IMTJUPVVISJUSE-ZIAGYGMSSA-N 1 0 397.342 2.968 20 0 GFADRO Cc1ccc(Br)cc1CNC(=O)CCN1CC[NH+](C(C)C)CC1 ZINC000907621739 664048624 /nfs/dbraw/zinc/04/86/24/664048624.db2.gz UJFHWVRCIQZSHN-UHFFFAOYSA-N 1 0 382.346 2.790 20 0 GFADRO C[N@@H+]1CCC[C@](O)(CC(=O)N[C@H]2CSc3ccc(Br)cc32)C1 ZINC000907818795 664063586 /nfs/dbraw/zinc/06/35/86/664063586.db2.gz STERKLHYYDKIIQ-BBRMVZONSA-N 1 0 385.327 2.559 20 0 GFADRO CN(C)C(=O)Sc1cc(NC(=O)C[C@@]2(O)CCC[N@H+](C)C2)ccc1Cl ZINC000908194730 664090993 /nfs/dbraw/zinc/09/09/93/664090993.db2.gz FWAHTTHDPWJWPS-KRWDZBQOSA-N 1 0 385.917 2.899 20 0 GFADRO CCC[N@H+](CC)C[C@H](C)NC(=O)c1cc(Br)cn(C2CC2)c1=O ZINC000908307747 664098461 /nfs/dbraw/zinc/09/84/61/664098461.db2.gz SNJUUWZJDLUJKV-LBPRGKRZSA-N 1 0 384.318 2.796 20 0 GFADRO C[N@@H+]1CCC[C@]2(CCN(C(=O)c3cccn4ncc(Br)c34)C2)C1 ZINC000908423618 664105244 /nfs/dbraw/zinc/10/52/44/664105244.db2.gz VYEPYFZRWZBCJM-KRWDZBQOSA-N 1 0 377.286 2.655 20 0 GFADRO Cc1ccc(Br)c(CNC(=O)CCN2CC[NH+](C(C)C)CC2)c1 ZINC000910436903 664211108 /nfs/dbraw/zinc/21/11/08/664211108.db2.gz BTSFIRWSSQUTDB-UHFFFAOYSA-N 1 0 382.346 2.790 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)c1cc(Br)cnc1Br ZINC000911685979 664253036 /nfs/dbraw/zinc/25/30/36/664253036.db2.gz XENQWYVGTHSYLI-KCJUWKMLSA-N 1 0 391.107 2.949 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)c2cnn(Cc3ccccc3)c2Br)C1 ZINC000911827167 664257489 /nfs/dbraw/zinc/25/74/89/664257489.db2.gz UIJODPDPZXHFLM-HIFRSBDPSA-N 1 0 391.313 2.893 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)[C@@H](C)c2ccc(I)cc2)C1 ZINC000911826739 664257509 /nfs/dbraw/zinc/25/75/09/664257509.db2.gz RPXWUPDRUCVBNH-SGMGOOAPSA-N 1 0 386.277 2.981 20 0 GFADRO C[C@H]1CCCN(C(=O)c2cc(Br)cnc2Br)[C@@H]1C[NH3+] ZINC000911826962 664257560 /nfs/dbraw/zinc/25/75/60/664257560.db2.gz TWYXOQPEYZQGGH-GZMMTYOYSA-N 1 0 391.107 2.806 20 0 GFADRO Cc1cc(C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)nn1-c1ccccc1Br ZINC000911857002 664259377 /nfs/dbraw/zinc/25/93/77/664259377.db2.gz RTLOEXWYLXCRLU-KGLIPLIRSA-N 1 0 389.297 2.910 20 0 GFADRO CN(CC[NH+]1CCCCC1)C(=O)c1cc(Br)cn(C2CC2)c1=O ZINC000911919861 664261969 /nfs/dbraw/zinc/26/19/69/664261969.db2.gz DCGYEVHCTCFWBE-UHFFFAOYSA-N 1 0 382.302 2.504 20 0 GFADRO C[C@H](Cc1ccc(Br)cc1)C(=O)N(CCO)C1CC[NH+](C)CC1 ZINC000911941043 664262888 /nfs/dbraw/zinc/26/28/88/664262888.db2.gz AMRNKYMRZWZEHV-CQSZACIVSA-N 1 0 383.330 2.543 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)C(F)(F)c1ncccc1Br ZINC000912283648 664279506 /nfs/dbraw/zinc/27/95/06/664279506.db2.gz KEHNKOQEFCOZNH-JTQLQIEISA-N 1 0 376.245 2.925 20 0 GFADRO [NH3+][C@H](CC(=O)N(C[C@H]1CCOC1)C1CC1)Cc1ccc(Br)cc1 ZINC000912331353 664282094 /nfs/dbraw/zinc/28/20/94/664282094.db2.gz KERZAEWXGOPEON-ZBFHGGJFSA-N 1 0 381.314 2.737 20 0 GFADRO CN(Cc1cccc(Br)c1)C(=O)[C@@H]1CC[NH2+][C@@H]([C@H]2CCCO2)C1 ZINC000912342563 664282711 /nfs/dbraw/zinc/28/27/11/664282711.db2.gz IONAKXAKAFUYLB-DJIMGWMZSA-N 1 0 381.314 2.955 20 0 GFADRO O=C(c1cc(Br)ccc1OC(F)F)N1CC[C@H]([NH+]2CCC2)C1 ZINC000912902396 664309435 /nfs/dbraw/zinc/30/94/35/664309435.db2.gz LRDNQINZUNPTPC-NSHDSACASA-N 1 0 375.213 2.971 20 0 GFADRO O=C(c1ccc(I)cc1Cl)N1CC[C@H]([NH+]2CCC2)C1 ZINC000912917996 664310173 /nfs/dbraw/zinc/31/01/73/664310173.db2.gz RWYLREKILLKUQJ-NSHDSACASA-N 1 0 390.652 2.865 20 0 GFADRO Cc1nc(CC(F)(F)F)sc1CC(=O)N1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1 ZINC000913275919 664330716 /nfs/dbraw/zinc/33/07/16/664330716.db2.gz WVUCOUFEEVJODX-HZPDHXFCSA-N 1 0 375.460 2.899 20 0 GFADRO C[NH+]1C[C@]2(C)CN(C(=O)c3c[nH]c4ncc(Br)cc34)C[C@@]2(C)C1 ZINC000913279678 664331022 /nfs/dbraw/zinc/33/10/22/664331022.db2.gz VGVQGLQZDHHGFJ-IAGOWNOFSA-N 1 0 377.286 2.739 20 0 GFADRO C[NH+](C)C1(C)CCN(C(=O)[C@@H]2CCO[C@H]2c2cncc(Br)c2)CC1 ZINC000913391604 664334669 /nfs/dbraw/zinc/33/46/69/664334669.db2.gz TTXGEYPETQUFDU-CVEARBPZSA-N 1 0 396.329 2.864 20 0 GFADRO O=C(NC12CC[NH+](CC1)C2)[C@@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1 ZINC000913627396 664346764 /nfs/dbraw/zinc/34/67/64/664346764.db2.gz IQFCWJQVZYJCIZ-HNNXBMFYSA-N 1 0 382.291 2.562 20 0 GFADRO O=C(NC12CC[NH+](CC1)C2)[C@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl ZINC000913627286 664346827 /nfs/dbraw/zinc/34/68/27/664346827.db2.gz DNEUZOSQHMKCNF-OAHLLOKOSA-N 1 0 382.291 2.562 20 0 GFADRO COc1cc(Br)cc(CNC(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000914151132 664379882 /nfs/dbraw/zinc/37/98/82/664379882.db2.gz WSXVBJAYICJUTC-GJZGRUSLSA-N 1 0 382.302 2.884 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)N1CCC[C@H]1c1ncc(Br)cn1 ZINC000914150651 664379933 /nfs/dbraw/zinc/37/99/33/664379933.db2.gz QCCYCKZREWAVCK-ILXRZTDVSA-N 1 0 394.317 2.712 20 0 GFADRO C[C@H](CNC(=O)N1CCC[C@H]1c1ncc(Br)cn1)[NH+]1CCCCC1 ZINC000914293268 664395967 /nfs/dbraw/zinc/39/59/67/664395967.db2.gz JLCBNEXHQACUSG-HIFRSBDPSA-N 1 0 396.333 2.960 20 0 GFADRO COc1cc(Br)cc(CNC(=O)NC[C@H]2CC[N@@H+](C(C)C)C2)c1 ZINC000915137698 664421714 /nfs/dbraw/zinc/42/17/14/664421714.db2.gz ZTWSHQILRDKRRL-CYBMUJFWSA-N 1 0 384.318 2.987 20 0 GFADRO O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccc(Br)cc1F ZINC000915620982 664435617 /nfs/dbraw/zinc/43/56/17/664435617.db2.gz GLJWEROHAFTSQB-AWEZNQCLSA-N 1 0 385.277 2.961 20 0 GFADRO O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccc(F)cc1Br ZINC000915622082 664435629 /nfs/dbraw/zinc/43/56/29/664435629.db2.gz OEANDUUFNCBSKN-AWEZNQCLSA-N 1 0 385.277 2.961 20 0 GFADRO O=C(COc1cccc(Br)c1)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000915625961 664435988 /nfs/dbraw/zinc/43/59/88/664435988.db2.gz NEFUTMVOWUXMJG-KRWDZBQOSA-N 1 0 397.313 2.588 20 0 GFADRO C[C@@H](CNC(=O)N1CCCC[C@H]1c1ncc(Br)cn1)[N@H+](C)C1CC1 ZINC000916851538 664473096 /nfs/dbraw/zinc/47/30/96/664473096.db2.gz PNQLUABRZUYIOC-WFASDCNBSA-N 1 0 396.333 2.958 20 0 GFADRO C[NH+](C)CCN(CCc1ccccc1)C(=O)CCn1cc(Br)cn1 ZINC000917673091 664488357 /nfs/dbraw/zinc/48/83/57/664488357.db2.gz LKZTYUIQBGPNDS-UHFFFAOYSA-N 1 0 393.329 2.669 20 0 GFADRO Cc1ccc[n+](C(C(=O)c2ccc(Cl)s2)C(=S)NCC(=O)N(C)C)c1 ZINC000918733530 664503795 /nfs/dbraw/zinc/50/37/95/664503795.db2.gz QCAGOPCVKPFXAN-UHFFFAOYSA-O 1 0 396.945 2.886 20 0 GFADRO C[C@@H](NC(=O)c1ccc(Br)s1)C(=O)OCC[NH+]1CCCCC1 ZINC000919521755 664513761 /nfs/dbraw/zinc/51/37/61/664513761.db2.gz VFFBKZQEKHMGQG-LLVKDONJSA-N 1 0 389.315 2.658 20 0 GFADRO COC(=O)N1CCC([NH2+]C[C@@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000920093265 664522078 /nfs/dbraw/zinc/52/20/78/664522078.db2.gz RJGJKGOMWIDCHB-GFCCVEGCSA-N 1 0 377.268 2.554 20 0 GFADRO CS(=O)(=O)c1ccc([C@@H](O)C[NH2+][C@@H]2CCOc3c(Cl)cccc32)cc1 ZINC000920094274 664522180 /nfs/dbraw/zinc/52/21/80/664522180.db2.gz CBFWFTPWHCBXSK-SJORKVTESA-N 1 0 381.881 2.890 20 0 GFADRO O=C(C[N@H+]1CCC[C@H]1Cc1ccc(Br)cc1)NC[C@H]1CCCO1 ZINC000920780700 664531709 /nfs/dbraw/zinc/53/17/09/664531709.db2.gz WXZGCRHXCOUFAW-DLBZAZTESA-N 1 0 381.314 2.751 20 0 GFADRO Clc1ccccc1[C@H](C[NH2+]Cc1nc(Br)c[nH]1)N1CCOCC1 ZINC000921500833 664550771 /nfs/dbraw/zinc/55/07/71/664550771.db2.gz HYICJEIBJGMDSB-AWEZNQCLSA-N 1 0 399.720 2.989 20 0 GFADRO C[C@H](CN1CCOCC1)[NH2+]Cc1c[nH]nc1-c1ccc(Br)s1 ZINC000921546141 664553034 /nfs/dbraw/zinc/55/30/34/664553034.db2.gz MRKKHPMUMOWASC-LLVKDONJSA-N 1 0 385.331 2.711 20 0 GFADRO O=C(NCC[NH2+]Cc1cnn(C2CCC2)c1)c1ccc(Br)cc1 ZINC000921578664 664555070 /nfs/dbraw/zinc/55/50/70/664555070.db2.gz TYPGCSOPFSGOBJ-UHFFFAOYSA-N 1 0 377.286 2.890 20 0 GFADRO CCn1c(C[NH2+]C[C@@H](O)CC(C)C)nc(Br)c1Br ZINC000921621904 664558128 /nfs/dbraw/zinc/55/81/28/664558128.db2.gz AVAYOIXZHJWUFA-VIFPVBQESA-N 1 0 383.128 2.925 20 0 GFADRO CCn1c(CN[C@@H](C)CC[NH+](C)C)nc(Br)c1Br ZINC000921621419 664558238 /nfs/dbraw/zinc/55/82/38/664558238.db2.gz YWJAUHXDJGPPHH-VIFPVBQESA-N 1 0 382.144 2.858 20 0 GFADRO CCn1c(C[NH2+]C[C@@](C)(O)C2CC2)nc(Br)c1Br ZINC000921730238 664565008 /nfs/dbraw/zinc/56/50/08/664565008.db2.gz WXJQNZDKXJZBJT-GFCCVEGCSA-N 1 0 381.112 2.679 20 0 GFADRO CCS(=O)(=O)C[C@H](C)[NH2+]Cc1cc2c(cc(F)cc2Br)[nH]1 ZINC000921737653 664565668 /nfs/dbraw/zinc/56/56/68/664565668.db2.gz JETDPPYBPWOZAJ-VIFPVBQESA-N 1 0 377.279 2.982 20 0 GFADRO C[N@@H+]1CCCC[C@H]1CCOC(=O)CNC(=O)c1ccc(Br)cc1 ZINC000921832360 664571241 /nfs/dbraw/zinc/57/12/41/664571241.db2.gz KXOXZVNFIGMJTO-HNNXBMFYSA-N 1 0 383.286 2.597 20 0 GFADRO O[C@H](C[NH2+]Cc1cnn(C2CCC2)c1)COc1ccccc1Br ZINC000921856522 664573041 /nfs/dbraw/zinc/57/30/41/664573041.db2.gz MKHNXNYTMCKJMD-OAHLLOKOSA-N 1 0 380.286 2.900 20 0 GFADRO O[C@H](C[NH2+]Cc1ccnn1C1CCC1)COc1ccccc1Br ZINC000921857440 664573294 /nfs/dbraw/zinc/57/32/94/664573294.db2.gz SULGYDLBEVSJGL-OAHLLOKOSA-N 1 0 380.286 2.900 20 0 GFADRO Cn1cc(C[NH2+]CCn2cc(Br)ccc2=O)c(C2CCCC2)n1 ZINC000922151628 664588019 /nfs/dbraw/zinc/58/80/19/664588019.db2.gz PXBVDNSHZVJUPR-UHFFFAOYSA-N 1 0 379.302 2.792 20 0 GFADRO CC1([NH+]2CCC2)CCN(C(=O)c2cn3ccc(Br)cc3n2)CC1 ZINC000922170593 664588718 /nfs/dbraw/zinc/58/87/18/664588718.db2.gz GRXANICZICEQLL-UHFFFAOYSA-N 1 0 377.286 2.797 20 0 GFADRO CC1([NH+]2CCC2)CCN(C(=O)COc2ccc(C=O)cc2Br)CC1 ZINC000922173146 664588900 /nfs/dbraw/zinc/58/89/00/664588900.db2.gz ALYKXLBAXJBNOL-UHFFFAOYSA-N 1 0 395.297 2.727 20 0 GFADRO C[C@H](NC(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12)c1ccc(Br)cn1 ZINC000922291510 664593635 /nfs/dbraw/zinc/59/36/35/664593635.db2.gz ZONLIXMZUIKDJS-GLQYFDAESA-N 1 0 399.358 2.784 20 0 GFADRO C[C@H](NC(=O)N[C@H]1CCC[N@@H+]2CCSC[C@H]12)c1ccc(Br)cn1 ZINC000922291512 664593712 /nfs/dbraw/zinc/59/37/12/664593712.db2.gz ZONLIXMZUIKDJS-TUKIKUTGSA-N 1 0 399.358 2.784 20 0 GFADRO Cn1nccc1[C@@H]1[C@@H]([NH2+]Cc2ccc(F)c(Br)c2)CCC(=O)N1C ZINC000922407301 664600072 /nfs/dbraw/zinc/60/00/72/664600072.db2.gz TYJGSIPLNJUICC-YOEHRIQHSA-N 1 0 395.276 2.773 20 0 GFADRO CN(C)S(=O)(=O)Cc1ccc(C[NH2+]Cc2cncc(Br)c2)cc1 ZINC000922452612 664602447 /nfs/dbraw/zinc/60/24/47/664602447.db2.gz GMXQZBCYOSBJEI-UHFFFAOYSA-N 1 0 398.326 2.525 20 0 GFADRO CC(C)(C)NS(=O)(=O)C1(C[NH2+]Cc2cnc([C@@H]3CCCO3)s2)CCC1 ZINC000922475970 664603393 /nfs/dbraw/zinc/60/33/93/664603393.db2.gz YVRMZLXECGRKHB-AWEZNQCLSA-N 1 0 387.571 2.725 20 0 GFADRO Nc1c(Cl)cc(Cl)cc1C[NH2+]Cc1cn(CC(F)(F)F)c(=O)[nH]c1=O ZINC000922495419 664603977 /nfs/dbraw/zinc/60/39/77/664603977.db2.gz HGTRRTXXCFVTNV-UHFFFAOYSA-N 1 0 397.184 2.690 20 0 GFADRO CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]C[C@@]1(OC(C)C)CCOC1 ZINC000922610107 664608259 /nfs/dbraw/zinc/60/82/59/664608259.db2.gz SMRZRQFQMHRRKR-KRWDZBQOSA-N 1 0 375.918 2.807 20 0 GFADRO CO[C@@]1(C[NH2+]Cc2cnc(-c3ccc(Cl)cc3)s2)CCS(=O)(=O)C1 ZINC000922617358 664608546 /nfs/dbraw/zinc/60/85/46/664608546.db2.gz LEYOOCXPBDGNCJ-MRXNPFEDSA-N 1 0 386.926 2.757 20 0 GFADRO CO[C@]1(C[NH2+]C/C(C)=C\c2ccccc2C(F)(F)F)CCS(=O)(=O)C1 ZINC000922619641 664608672 /nfs/dbraw/zinc/60/86/72/664608672.db2.gz SGUONYFFYWTOHO-OVHOFWQVSA-N 1 0 377.428 2.902 20 0 GFADRO CS(=O)(=O)c1ccccc1CC[NH2+]C1CCN(CCC(F)(F)F)CC1 ZINC000922681063 664610574 /nfs/dbraw/zinc/61/05/74/664610574.db2.gz KNHHOXSRKCNRSN-UHFFFAOYSA-N 1 0 378.460 2.639 20 0 GFADRO Cn1c2ccc(Cl)cc2nc1C[NH2+]CCc1ccccc1S(C)(=O)=O ZINC000922680112 664610615 /nfs/dbraw/zinc/61/06/15/664610615.db2.gz PSSSFBIENYNUPZ-UHFFFAOYSA-N 1 0 377.897 2.963 20 0 GFADRO Cn1c2ccc(C(F)(F)F)cc2nc1C[NH2+]CC(C)(C)CS(C)(=O)=O ZINC000922744151 664613188 /nfs/dbraw/zinc/61/31/88/664613188.db2.gz UQQPWLLDVRWVGF-UHFFFAOYSA-N 1 0 377.432 2.753 20 0 GFADRO CS(=O)(=O)C[C@H](O)C[NH2+]Cc1cc(F)ccc1Oc1ccc(Cl)cc1 ZINC000922825875 664615679 /nfs/dbraw/zinc/61/56/79/664615679.db2.gz RDLAPKVCJKCJRB-OAHLLOKOSA-N 1 0 387.860 2.767 20 0 GFADRO CC(C)n1cc(Br)c(C(=O)N2CCC([NH2+]C3CCOCC3)CC2)n1 ZINC000922850627 664616469 /nfs/dbraw/zinc/61/64/69/664616469.db2.gz RBQDLNSGABGCKN-UHFFFAOYSA-N 1 0 399.333 2.600 20 0 GFADRO COc1sc(C[NH2+]C[C@@H]2CCN2C2CCOCC2)cc1Br ZINC000922951824 664619833 /nfs/dbraw/zinc/61/98/33/664619833.db2.gz AQKUDBHJOZPFQR-LBPRGKRZSA-N 1 0 375.332 2.862 20 0 GFADRO Cn1nccc1[C@@H](O)C[NH2+]Cc1cccc(Br)c1OC(F)F ZINC000922974855 664620509 /nfs/dbraw/zinc/62/05/09/664620509.db2.gz RQLGIHZYWMRTLG-LBPRGKRZSA-N 1 0 376.201 2.607 20 0 GFADRO C[NH+](C)CCn1nccc1C(=O)Nc1c[nH]c2ccc(Br)cc12 ZINC000923157297 664623295 /nfs/dbraw/zinc/62/32/95/664623295.db2.gz DKAQSGFPRSKIRB-UHFFFAOYSA-N 1 0 376.258 2.941 20 0 GFADRO C[C@@H]1CN(C[C@H](O)COc2ccc(Cl)cc2Br)[C@H](C)C[NH2+]1 ZINC000923360602 664628923 /nfs/dbraw/zinc/62/89/23/664628923.db2.gz CDARQAKBKFZCIX-WZRBSPASSA-N 1 0 377.710 2.524 20 0 GFADRO O=S(=O)(c1cnc(-c2ccccc2)s1)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000923647071 664635016 /nfs/dbraw/zinc/63/50/16/664635016.db2.gz SYGZENVYYSVRQX-JKSUJKDBSA-N 1 0 377.535 2.820 20 0 GFADRO [NH3+]C[C@H]1CC2(CO1)CCN(S(=O)(=O)c1ccc(Cl)c(F)c1Cl)CC2 ZINC000923687909 664635864 /nfs/dbraw/zinc/63/58/64/664635864.db2.gz QGQJRGFQGSNZAJ-SNVBAGLBSA-N 1 0 397.299 2.651 20 0 GFADRO C[C@H]1CN(S(=O)(=O)c2cccc(Br)c2Cl)CC[C@H]1C[NH3+] ZINC000923704117 664636471 /nfs/dbraw/zinc/63/64/71/664636471.db2.gz RNBMAMCRKDPHCN-UWVGGRQHSA-N 1 0 381.723 2.708 20 0 GFADRO C[C@H]1CN(S(=O)(=O)c2cc(Br)ccc2Cl)CC[C@@H]1C[NH3+] ZINC000923701795 664636479 /nfs/dbraw/zinc/63/64/79/664636479.db2.gz XJCPHQTUXWIJBJ-VHSXEESVSA-N 1 0 381.723 2.708 20 0 GFADRO C[C@H]1CN(S(=O)(=O)Cc2cccc(Cl)c2Br)CC[C@H]1C[NH3+] ZINC000923704221 664636576 /nfs/dbraw/zinc/63/65/76/664636576.db2.gz UARXMLULULTFRY-QWRGUYRKSA-N 1 0 395.750 2.849 20 0 GFADRO COc1cc(Cl)ccc1S(=O)(=O)N[C@H]1C[C@@](C[NH3+])(c2ccccc2)C1 ZINC000923741927 664637393 /nfs/dbraw/zinc/63/73/93/664637393.db2.gz PGBDWJPLSWCBHZ-RHNCMZPLSA-N 1 0 380.897 2.686 20 0 GFADRO C[NH+](C)CCOc1cccc(-c2noc(-c3ncc(Br)cn3)n2)c1 ZINC000923884815 664639397 /nfs/dbraw/zinc/63/93/97/664639397.db2.gz ULJCXHOFCNVUEX-UHFFFAOYSA-N 1 0 390.241 2.897 20 0 GFADRO CCC1([NH+]2CCC2)CCN(C(=O)c2cc3ncc(Br)cn3n2)CC1 ZINC000924374775 664654255 /nfs/dbraw/zinc/65/42/55/664654255.db2.gz WEEGILCUGDBZPF-UHFFFAOYSA-N 1 0 392.301 2.582 20 0 GFADRO C[NH+](C)CCN(Cc1cccs1)C(=O)NC[C@H]1CC[C@H](C(F)(F)F)O1 ZINC000924501660 664656302 /nfs/dbraw/zinc/65/63/02/664656302.db2.gz DWOFAKOOTJJDPN-TZMCWYRMSA-N 1 0 379.448 2.931 20 0 GFADRO CN(CCCC[NH+]1CCCCC1)C(=O)NCc1cn(C)nc1Br ZINC000924565247 664658298 /nfs/dbraw/zinc/65/82/98/664658298.db2.gz RTEOTPYYYFHVBP-UHFFFAOYSA-N 1 0 386.338 2.590 20 0 GFADRO CC(=O)N1CCN(CC[NH2+]C(CCC(F)(F)F)CCC(F)(F)F)CC1 ZINC000924666174 664659363 /nfs/dbraw/zinc/65/93/63/664659363.db2.gz SWPVFFHHKANLSB-UHFFFAOYSA-N 1 0 377.373 2.794 20 0 GFADRO O=C(NCC[NH2+][C@@H](C1CC1)[C@@H]1CCCOC1)c1ccc(Br)cc1 ZINC000924731865 664660415 /nfs/dbraw/zinc/66/04/15/664660415.db2.gz LALABPHDRBKSGJ-WBVHZDCISA-N 1 0 381.314 2.974 20 0 GFADRO CN(C)Cc1csc(CNC(=O)N(CC[NH+](C)C)Cc2cccs2)n1 ZINC000924776394 664661571 /nfs/dbraw/zinc/66/15/71/664661571.db2.gz DMSNPDYFTNQSBL-UHFFFAOYSA-N 1 0 381.571 2.540 20 0 GFADRO COc1cccc(C(=O)NCC[NH2+][C@@H](C)c2cccc(Br)n2)c1 ZINC000924837471 664662617 /nfs/dbraw/zinc/66/26/17/664662617.db2.gz WJTQXQKCKNIVFD-LBPRGKRZSA-N 1 0 378.270 2.933 20 0 GFADRO CCn1nc(C)c([C@@H](C)[NH2+]CCCNC(=O)c2ccc(Br)cc2)n1 ZINC000924910230 664663879 /nfs/dbraw/zinc/66/38/79/664663879.db2.gz UDEWJFJFEZBAST-GFCCVEGCSA-N 1 0 394.317 2.840 20 0 GFADRO C[C@@H]1COC[C@@H]1[NH2+]CC(C)(C)S(=O)(=O)c1ccc(Br)cc1 ZINC000925104023 664666995 /nfs/dbraw/zinc/66/69/95/664666995.db2.gz VDUAAEBKPZIITQ-RISCZKNCSA-N 1 0 376.316 2.626 20 0 GFADRO CN(Cc1ccc(Br)o1)C(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000925144821 664667294 /nfs/dbraw/zinc/66/72/94/664667294.db2.gz QRZYPYRXWLVUHY-OLZOCXBDSA-N 1 0 388.331 2.763 20 0 GFADRO O=C(N[C@H]1CCC[N@@H+]2CCSC[C@@H]12)N1CCC2(CC1)C(F)(F)C2(F)F ZINC000925167860 664667901 /nfs/dbraw/zinc/66/79/01/664667901.db2.gz RMRIROZKOMDRHQ-RYUDHWBXSA-N 1 0 381.439 2.642 20 0 GFADRO CC(C)S(=O)(=O)N1CCC([NH2+][C@@H](C)c2cccc(Br)n2)CC1 ZINC000925180255 664668207 /nfs/dbraw/zinc/66/82/07/664668207.db2.gz HQJRODUDGDQHQG-LBPRGKRZSA-N 1 0 390.347 2.697 20 0 GFADRO CC[N@@H+]1CCC[C@@H](N2C(=O)N[C@@H](c3ccc(OC)c(Br)c3)C2=O)C1 ZINC000925300512 664670139 /nfs/dbraw/zinc/67/01/39/664670139.db2.gz WLKNTJUYLPMBGA-DOMZBBRYSA-N 1 0 396.285 2.535 20 0 GFADRO COCCN(Cc1cc(Br)cs1)C(=O)N[C@H]1CC[N@H+](C)[C@H]1C ZINC000925331128 664670446 /nfs/dbraw/zinc/67/04/46/664670446.db2.gz CJTUQPNJSPWTGO-FZMZJTMJSA-N 1 0 390.347 2.761 20 0 GFADRO O=S(=O)(C(F)F)N1CCC(C[NH2+][C@H]2CCCc3c(Cl)ccnc32)CC1 ZINC000925395530 664671898 /nfs/dbraw/zinc/67/18/98/664671898.db2.gz GRWXTLKKLMAKMM-AWEZNQCLSA-N 1 0 393.887 2.966 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CCN[C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000925598837 664673392 /nfs/dbraw/zinc/67/33/92/664673392.db2.gz MSYXIGGHJASBEM-GVSKICRLSA-N 1 0 378.314 2.672 20 0 GFADRO O=S(=O)(C[C@@H](O)C[NH2+]C1CC(Sc2ccccc2)C1)c1cccs1 ZINC000925608240 664673574 /nfs/dbraw/zinc/67/35/74/664673574.db2.gz UMDWZNKSRUHXPA-BBBYJDLNSA-N 1 0 383.560 2.796 20 0 GFADRO CC[C@@H]1CN(S(=O)(=O)C(C)C)CC[C@@H]1[NH2+][C@@H](C)C1(Br)CC1 ZINC000925885101 664676644 /nfs/dbraw/zinc/67/66/44/664676644.db2.gz RIZLXCLACACFIJ-MJBXVCDLSA-N 1 0 381.380 2.731 20 0 GFADRO [NH3+][C@]1(CO)CCCN(C(=O)Nc2ccc(Br)c(C(F)(F)F)c2)C1 ZINC000925903302 664677263 /nfs/dbraw/zinc/67/72/63/664677263.db2.gz UEELQKKPGRKZPW-CYBMUJFWSA-N 1 0 396.207 2.785 20 0 GFADRO COc1ccc(Br)c(NC(=O)N2CCC3(CO[C@H](C[NH3+])C3)CC2)c1 ZINC000926001538 664678937 /nfs/dbraw/zinc/67/89/37/664678937.db2.gz RYRCMCUHBYTRAW-ZDUSSCGKSA-N 1 0 398.301 2.819 20 0 GFADRO COC(=O)c1ccc(NC(=O)N2CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C2)cc1Cl ZINC000926035014 664679591 /nfs/dbraw/zinc/67/95/91/664679591.db2.gz AZUYEJZXMVTWKF-PWSUYJOCSA-N 1 0 379.766 2.870 20 0 GFADRO [NH3+]C1CCN(CCNC(=O)Nc2cc(F)ccc2SCC(F)F)CC1 ZINC000926042472 664679807 /nfs/dbraw/zinc/67/98/07/664679807.db2.gz IYNIUFFCUFXNGH-UHFFFAOYSA-N 1 0 376.448 2.728 20 0 GFADRO CCOC(=O)c1c(NC(=O)N2CC[C@H](CC[NH3+])C2)sc2c1CCSC2 ZINC000926079620 664681114 /nfs/dbraw/zinc/68/11/14/664681114.db2.gz WRBNMSBIYJMOAZ-NSHDSACASA-N 1 0 383.539 2.917 20 0 GFADRO COC(=O)c1cc(Cl)ccc1NC(=O)N1CC[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000926079151 664681122 /nfs/dbraw/zinc/68/11/22/664681122.db2.gz OEWNCFRHIDMBPP-GHMZBOCLSA-N 1 0 379.766 2.870 20 0 GFADRO COC(=O)c1cc(Br)ccc1NC(=O)N1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000926078824 664681167 /nfs/dbraw/zinc/68/11/67/664681167.db2.gz FBIDBFVMFIZWEV-WDEREUQCSA-N 1 0 384.274 2.684 20 0 GFADRO C[NH2+]C[C@@H]1CCCCN1C(=O)Nc1ccc(S(C)(=O)=O)c(C(F)F)c1 ZINC000926085443 664681280 /nfs/dbraw/zinc/68/12/80/664681280.db2.gz ZJBKQSVJLGNOCP-LBPRGKRZSA-N 1 0 375.441 2.634 20 0 GFADRO COC(=O)c1cccc(NC(=O)N2CC[C@@H](C[NH3+])[C@H](C)C2)c1Br ZINC000926104158 664681689 /nfs/dbraw/zinc/68/16/89/664681689.db2.gz FBSFZNNKPQFSTR-MNOVXSKESA-N 1 0 384.274 2.684 20 0 GFADRO COC(=O)c1cc(NC(=O)N2CC[C@H](CC[NH3+])C2)cc(Br)c1F ZINC000926104691 664681823 /nfs/dbraw/zinc/68/18/23/664681823.db2.gz OCBXDHFVZAIURD-VIFPVBQESA-N 1 0 388.237 2.577 20 0 GFADRO COC(=O)c1cc(NC(=O)NC[C@@H]2CC[C@H]([NH3+])C2)cc(Br)c1F ZINC000926104681 664681846 /nfs/dbraw/zinc/68/18/46/664681846.db2.gz NUEBZHQYTYQQBJ-BDAKNGLRSA-N 1 0 388.237 2.624 20 0 GFADRO [NH3+][C@]1(CO)CCCN(C(=O)Nc2ccc(OCC(F)(F)F)c(Cl)c2)C1 ZINC000926109782 664681973 /nfs/dbraw/zinc/68/19/73/664681973.db2.gz MHKZGRXJEHVDJN-CQSZACIVSA-N 1 0 381.782 2.599 20 0 GFADRO [NH3+]C1CCN(CCNC(=O)Nc2cccc(Br)c2Cl)CC1 ZINC000926110871 664681977 /nfs/dbraw/zinc/68/19/77/664681977.db2.gz BXHIIERYHOQLBZ-UHFFFAOYSA-N 1 0 375.698 2.647 20 0 GFADRO Cn1c(Cl)cnc1-c1csc(NC(=O)N2CC[C@@]3(C2)CCCC[NH2+]3)n1 ZINC000926170455 664683788 /nfs/dbraw/zinc/68/37/88/664683788.db2.gz FGHICQWNMYBKMQ-MRXNPFEDSA-N 1 0 380.905 2.947 20 0 GFADRO O=C(Nc1ccc([C@H]2C[NH2+]CCO2)cc1)N1CCS[C@@H](C(F)(F)F)C1 ZINC000926176996 664684131 /nfs/dbraw/zinc/68/41/31/664684131.db2.gz CNPDWPPZCCQOKG-ZIAGYGMSSA-N 1 0 375.416 2.859 20 0 GFADRO Cc1c(I)ccc(NC(=O)NCC23CC(C2)C[NH2+]3)c1C ZINC000926203815 664684725 /nfs/dbraw/zinc/68/47/25/664684725.db2.gz RNAOFCSYGZTOMR-UHFFFAOYSA-N 1 0 385.249 2.782 20 0 GFADRO [NH3+]C[C@H]1CCN(C(=O)Nc2ccc(I)c(Cl)c2)C1 ZINC000926219325 664684812 /nfs/dbraw/zinc/68/48/12/664684812.db2.gz PKLQJCYWKNEIRU-MRVPVSSYSA-N 1 0 379.629 2.757 20 0 GFADRO COc1cc(Br)cc(CNC(=O)N2CC[C@H]3[C@H](CC[N@@H+]3C)C2)c1 ZINC000926291667 664686772 /nfs/dbraw/zinc/68/67/72/664686772.db2.gz DAPHTNLSBGQNEJ-CJNGLKHVSA-N 1 0 382.302 2.693 20 0 GFADRO C[C@@H](C[C@@H]1CCC(=O)N1)[NH2+]Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000926297382 664687296 /nfs/dbraw/zinc/68/72/96/664687296.db2.gz AQRKQQLDHAHRDL-WFASDCNBSA-N 1 0 377.286 2.782 20 0 GFADRO Brc1cccc(N2CC[C@@H]([NH2+][C@@H]3CCOC34CCOCC4)C2)c1 ZINC000926307360 664687540 /nfs/dbraw/zinc/68/75/40/664687540.db2.gz OSDKIJPUWQPFKO-NVXWUHKLSA-N 1 0 381.314 2.956 20 0 GFADRO C[C@H]([NH2+][C@@H](C)C1CCN(S(C)(=O)=O)CC1)c1ccc(Br)cn1 ZINC000926335963 664687908 /nfs/dbraw/zinc/68/79/08/664687908.db2.gz DFSCUQOVUNJMPD-RYUDHWBXSA-N 1 0 390.347 2.555 20 0 GFADRO COc1ccnc([C@H](C)[NH2+]CCCNS(=O)(=O)c2ccccc2Cl)c1 ZINC000926354863 664688481 /nfs/dbraw/zinc/68/84/81/664688481.db2.gz WUSJHUWGODSKDY-ZDUSSCGKSA-N 1 0 383.901 2.763 20 0 GFADRO O=S(=O)(NCC[NH2+][C@H](C1CCC1)[C@@H]1CCOC1)c1ccc(F)cc1Cl ZINC000926370370 664688981 /nfs/dbraw/zinc/68/89/81/664688981.db2.gz RFJHMAZBOZKFSE-CXAGYDPISA-N 1 0 390.908 2.552 20 0 GFADRO C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)C)c1cccc(Br)n1 ZINC000926412302 664689556 /nfs/dbraw/zinc/68/95/56/664689556.db2.gz UQELUKDIJYSUIM-FFHGMXDLSA-N 1 0 395.345 2.578 20 0 GFADRO C[C@@H]([NH2+]CCc1cccc(Br)c1)C1CCN(S(C)(=O)=O)CC1 ZINC000926557948 664692502 /nfs/dbraw/zinc/69/25/02/664692502.db2.gz BDFFJBPJECTEIQ-CYBMUJFWSA-N 1 0 389.359 2.641 20 0 GFADRO C[C@@H]([NH2+]C1CCN(Cc2cccc(Br)c2)CC1)c1cnnn1C ZINC000926598156 664693296 /nfs/dbraw/zinc/69/32/96/664693296.db2.gz HJYQXWUXABCURO-CYBMUJFWSA-N 1 0 378.318 2.893 20 0 GFADRO C[C@@H]([NH2+]C[C@@H](OC1CCCC1)C(F)(F)F)C1CCN(S(C)(=O)=O)CC1 ZINC000926688536 664695439 /nfs/dbraw/zinc/69/54/39/664695439.db2.gz FTXQXBYGIJLDLJ-IUODEOHRSA-N 1 0 386.480 2.526 20 0 GFADRO C[C@H]([NH2+]C[C@@H]1CCC(=O)N(C2CC2)[C@H]1c1nccn1C)C1(Br)CC1 ZINC000926734659 664695966 /nfs/dbraw/zinc/69/59/66/664695966.db2.gz FWWFXXBLGAXWFD-HEHGZKQESA-N 1 0 395.345 2.768 20 0 GFADRO O[C@H]1CCN(CC[NH2+][C@H](c2ccc(Br)cc2)c2cccnc2)C1 ZINC000926775157 664696478 /nfs/dbraw/zinc/69/64/78/664696478.db2.gz UJEITZQACLWROE-ZWKOTPCHSA-N 1 0 376.298 2.590 20 0 GFADRO Brc1cnc2c(c1)[C@@H]([NH2+]Cc1ccnc(-n3cncn3)c1)CCC2 ZINC000926781482 664696544 /nfs/dbraw/zinc/69/65/44/664696544.db2.gz IGWAEWSBCDYJGG-HNNXBMFYSA-N 1 0 385.269 2.987 20 0 GFADRO COc1cc(Br)cc(C[NH2+][C@@H]2CCCC[C@@H]2S(C)(=O)=O)c1 ZINC000926904202 664698904 /nfs/dbraw/zinc/69/89/04/664698904.db2.gz WPSBIXPCPZDACQ-CABCVRRESA-N 1 0 376.316 2.903 20 0 GFADRO C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CC1CC2(C1)OCCO2 ZINC000927005556 664702045 /nfs/dbraw/zinc/70/20/45/664702045.db2.gz OVRCTPBZWPEEMT-LBPRGKRZSA-N 1 0 383.286 2.909 20 0 GFADRO C[C@H]([NH2+]CC1(n2cc(Br)cn2)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000927007368 664702222 /nfs/dbraw/zinc/70/22/22/664702222.db2.gz DPEJRYRNZZCZBS-LBPRGKRZSA-N 1 0 398.326 2.889 20 0 GFADRO Cn1nnc2c1C[C@@H]([NH2+][C@@H]1CCc3ccc(I)cc31)CC2 ZINC000927143610 664705146 /nfs/dbraw/zinc/70/51/46/664705146.db2.gz OXSSRFFYQRVFMD-GXTWGEPZSA-N 1 0 394.260 2.554 20 0 GFADRO Cn1nnc2c1C[C@H]([NH2+][C@H]1CCCOc3ccc(Br)cc31)CC2 ZINC000927143056 664705152 /nfs/dbraw/zinc/70/51/52/664705152.db2.gz BEZQQPBCVYWAAE-OCCSQVGLSA-N 1 0 377.286 2.938 20 0 GFADRO C[C@H]1CN(C(=O)C(=O)Nc2ccc(C(F)(F)F)cc2Cl)CC[C@H]1C[NH3+] ZINC000927894682 664717485 /nfs/dbraw/zinc/71/74/85/664717485.db2.gz NLVNZFJKKKOPQW-UWVGGRQHSA-N 1 0 377.794 2.741 20 0 GFADRO Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000928081531 664722051 /nfs/dbraw/zinc/72/20/51/664722051.db2.gz OSFGVPCFTRZMMY-WDEREUQCSA-N 1 0 396.866 2.560 20 0 GFADRO COc1ccc(Br)c(C(=O)N[C@H]2CCC[N@@H+]3CCSC[C@@H]23)c1 ZINC000928102250 664723319 /nfs/dbraw/zinc/72/33/19/664723319.db2.gz LRDICVOSEYYXQC-GJZGRUSLSA-N 1 0 385.327 2.767 20 0 GFADRO CN(CCC(=O)N1CCC[C@@H]1c1ncc(Br)cn1)c1cc[nH+]cc1 ZINC000928359227 664730212 /nfs/dbraw/zinc/73/02/12/664730212.db2.gz UIIQQTATEQEZOC-OAHLLOKOSA-N 1 0 390.285 2.824 20 0 GFADRO C[N@H+](CC(=O)N1CCC[C@H]1c1cncc(Br)c1)[C@@H]1CCSC1 ZINC000928361103 664730820 /nfs/dbraw/zinc/73/08/20/664730820.db2.gz DSTGAOXWCPGHJL-CABCVRRESA-N 1 0 384.343 2.945 20 0 GFADRO C[C@H]1[C@@H](NC(=O)c2cnc3c(Cl)cc(Br)cc3c2O)CC[N@@H+]1C ZINC000928441818 664732581 /nfs/dbraw/zinc/73/25/81/664732581.db2.gz PJWMGSIKPLWFQJ-SDBXPKJASA-N 1 0 398.688 2.766 20 0 GFADRO C[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000928570821 664735389 /nfs/dbraw/zinc/73/53/89/664735389.db2.gz WNKJUSDXPQPAQL-KBPBESRZSA-N 1 0 384.307 2.666 20 0 GFADRO C[C@](O)(C(=O)NC1CC[NH+](C2CC2)CC1)c1ccc(F)c(Br)c1 ZINC000929618257 664754850 /nfs/dbraw/zinc/75/48/50/664754850.db2.gz OUUQXKUCWBZWIR-QGZVFWFLSA-N 1 0 385.277 2.539 20 0 GFADRO Brc1cccc(C2([NH2+]C[C@@H]3C[C@H]4COC[C@H]4O3)CCOCC2)c1 ZINC000929895700 664759275 /nfs/dbraw/zinc/75/92/75/664759275.db2.gz SXULCZPNLOBWMZ-RRQGHBQHSA-N 1 0 382.298 2.848 20 0 GFADRO CCC[N@@H+]1CC[C@H](CNC(=O)N[C@@](C)(CO)c2cccc(Br)c2)C1 ZINC000929923826 664759991 /nfs/dbraw/zinc/75/99/91/664759991.db2.gz UAAWUYGUMPAQSV-KDOFPFPSSA-N 1 0 398.345 2.688 20 0 GFADRO O=C(NCC1CC[NH+](C[C@@H]2CCC[C@@H](C(F)(F)F)O2)CC1)C(F)(F)F ZINC000930309941 664766818 /nfs/dbraw/zinc/76/68/18/664766818.db2.gz YULDJQRPKRSBHU-RYUDHWBXSA-N 1 0 376.341 2.877 20 0 GFADRO Cn1c(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)cc2cc(Br)cnc21 ZINC000930367850 664768322 /nfs/dbraw/zinc/76/83/22/664768322.db2.gz GWHNMCDZIVSNLG-NSHDSACASA-N 1 0 377.286 2.550 20 0 GFADRO O=C(NC[C@@H]1CCC[N@@H+](C[C@H]2CCC[C@H](C(F)(F)F)O2)C1)C(F)(F)F ZINC000930521024 664772170 /nfs/dbraw/zinc/77/21/70/664772170.db2.gz RWKRKYPPQGVKAF-QJPTWQEYSA-N 1 0 376.341 2.877 20 0 GFADRO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)c2cc(=O)n(C)cc2Br)C1 ZINC000930513634 664772174 /nfs/dbraw/zinc/77/21/74/664772174.db2.gz OZUFQPHJDHKATC-STQMWFEESA-N 1 0 398.345 2.634 20 0 GFADRO Cc1cc(CC(C)(C)[NH2+]CC2CN(S(C)(=O)=O)C2)ccc1Br ZINC000930554664 664773240 /nfs/dbraw/zinc/77/32/40/664773240.db2.gz MUMDPCVGFORPDK-UHFFFAOYSA-N 1 0 389.359 2.560 20 0 GFADRO CC1(C)Cc2c(cccc2Br)[C@@H]1[NH2+]CC1CN(S(C)(=O)=O)C1 ZINC000930561361 664773422 /nfs/dbraw/zinc/77/34/22/664773422.db2.gz XFXUOURHKCHQEH-HNNXBMFYSA-N 1 0 387.343 2.554 20 0 GFADRO COC(=O)c1cncc(C[N@H+](C)C[C@@H](O)c2ccccc2Br)c1 ZINC000930668995 664775491 /nfs/dbraw/zinc/77/54/91/664775491.db2.gz NRHYDFCHQZAJOQ-MRXNPFEDSA-N 1 0 379.254 2.796 20 0 GFADRO O=C(NCC[NH+]1CCC(O)CC1)N[C@@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000930905196 664780802 /nfs/dbraw/zinc/78/08/02/664780802.db2.gz ARPAJRALHDUDKQ-AWEZNQCLSA-N 1 0 379.810 2.699 20 0 GFADRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)C[C@H]2C(=O)Nc3c2cccc3Br)C1 ZINC000930945808 664781610 /nfs/dbraw/zinc/78/16/10/664781610.db2.gz PTOYPZMICNNWFP-GXTWGEPZSA-N 1 0 394.313 2.721 20 0 GFADRO CCOC(=O)[C@H](c1nc(Br)sc1C)N1CC[C@H]([NH+](C)C)[C@H]1C ZINC000931038405 664783828 /nfs/dbraw/zinc/78/38/28/664783828.db2.gz QIUOBQMMQJSXDN-CDMKHQONSA-N 1 0 390.347 2.843 20 0 GFADRO C[C@H]1[C@@H]([NH+](C)C)CCN1Cc1csc(-c2ccc(S(C)(=O)=O)cc2)n1 ZINC000931042561 664783857 /nfs/dbraw/zinc/78/38/57/664783857.db2.gz NDYJTDBVDDQCFI-GUYCJALGSA-N 1 0 379.551 2.738 20 0 GFADRO O[C@@H](C[N@@H+]1CCc2nc[nH]c2C12CCOCC2)c1ccc(Br)cc1 ZINC000931105854 664785978 /nfs/dbraw/zinc/78/59/78/664785978.db2.gz ZXNGMUCVAVZECD-INIZCTEOSA-N 1 0 392.297 2.770 20 0 GFADRO O=C(c1nc(Br)c2ccccn21)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000931189173 664787845 /nfs/dbraw/zinc/78/78/45/664787845.db2.gz LQLDDYQBHJKDSN-ZDUSSCGKSA-N 1 0 377.286 2.797 20 0 GFADRO C[NH+](C)C1(C)CCN(C[C@@H](O)COc2cc(F)cc(Br)c2)CC1 ZINC000931355261 664792316 /nfs/dbraw/zinc/79/23/16/664792316.db2.gz PKODLTFIDWEVHF-OAHLLOKOSA-N 1 0 389.309 2.744 20 0 GFADRO COC(=O)[C@H](c1cccc(Cl)c1Cl)N1CCC(O)(C[NH+](C)C)CC1 ZINC000931482706 664796183 /nfs/dbraw/zinc/79/61/83/664796183.db2.gz NKPXWLYZGIUTBT-HNNXBMFYSA-N 1 0 375.296 2.596 20 0 GFADRO Cc1cc(NC(=O)CN2CCc3[nH+]ccc(N)c3C2)ccc1Br ZINC000931513002 664797115 /nfs/dbraw/zinc/79/71/15/664797115.db2.gz QBMQQPAXCIOQKN-UHFFFAOYSA-N 1 0 375.270 2.732 20 0 GFADRO Cn1c(C(=O)N2CC[C@H]([NH+]3CCCC3)C2)cc2cc(Br)cnc21 ZINC000931649916 664801776 /nfs/dbraw/zinc/80/17/76/664801776.db2.gz FFRUSYRVVZRULM-AWEZNQCLSA-N 1 0 377.286 2.646 20 0 GFADRO O=C(C[C@H]1C(=O)Nc2ccc(Br)cc21)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000931653089 664801788 /nfs/dbraw/zinc/80/17/88/664801788.db2.gz SOWYEYMJJSNSQJ-DZGCQCFKSA-N 1 0 392.297 2.572 20 0 GFADRO CN(CC1CC[NH+](C)CC1)C(=O)C[C@@H]1C(=O)Nc2c1cccc2Br ZINC000931962348 664808025 /nfs/dbraw/zinc/80/80/25/664808025.db2.gz WDDLNHNNQUUKQJ-AWEZNQCLSA-N 1 0 394.313 2.675 20 0 GFADRO COc1cc(Br)ccc1NC(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000932177993 664812141 /nfs/dbraw/zinc/81/21/41/664812141.db2.gz IAXVIRWXLINJBW-LSDHHAIUSA-N 1 0 398.301 2.521 20 0 GFADRO O=C(Nc1cccc(F)c1Br)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000932420669 664822003 /nfs/dbraw/zinc/82/20/03/664822003.db2.gz DUSXIXKBOIQIBM-ZIAGYGMSSA-N 1 0 386.265 2.651 20 0 GFADRO COc1cc(Br)cc(C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC000932696306 664832167 /nfs/dbraw/zinc/83/21/67/664832167.db2.gz DUJFYCWOXQNMRT-MRXNPFEDSA-N 1 0 397.313 2.831 20 0 GFADRO O=C1NCCC2(CC[NH+](C[C@@H](O)COc3c(Cl)cccc3Cl)CC2)O1 ZINC000932767315 664836063 /nfs/dbraw/zinc/83/60/63/664836063.db2.gz PNOCQXJQRKYJRT-GFCCVEGCSA-N 1 0 389.279 2.698 20 0 GFADRO Cc1ncc(NC(=O)Nc2cnn(CC[NH+](C)C)c2)c(C)c1Br ZINC000932768869 664836161 /nfs/dbraw/zinc/83/61/61/664836161.db2.gz QOKYMXVGKFXYRO-UHFFFAOYSA-N 1 0 381.278 2.863 20 0 GFADRO Cc1ncc(NC(=O)NCC(C)(C)N2CC[NH+](C)CC2)c(C)c1Br ZINC000932788808 664838658 /nfs/dbraw/zinc/83/86/58/664838658.db2.gz JTJVXYYDBLBWQJ-UHFFFAOYSA-N 1 0 398.349 2.608 20 0 GFADRO O=C1CCCN1CCC[N@H+]1CCC[C@@](O)(c2ccc(Br)cc2)C1 ZINC000932812194 664839763 /nfs/dbraw/zinc/83/97/63/664839763.db2.gz TWXAYIBVQZYEGM-SFHVURJKSA-N 1 0 381.314 2.745 20 0 GFADRO CSc1ccc(OC[C@@H](O)C[NH+]2CCC(CO)(C(F)(F)F)CC2)cc1 ZINC000932830908 664841266 /nfs/dbraw/zinc/84/12/66/664841266.db2.gz WQYHEFDLHFAIPZ-ZDUSSCGKSA-N 1 0 379.444 2.785 20 0 GFADRO CC[C@@H](c1ccc(Br)cc1)[NH+]1CCC2(CC1)C[C@@H](O)CNC2=O ZINC000932841079 664841407 /nfs/dbraw/zinc/84/14/07/664841407.db2.gz VAFQOGFDILKLJL-CVEARBPZSA-N 1 0 381.314 2.863 20 0 GFADRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)c1cc(Br)c2nccnc2c1 ZINC000932908407 664842803 /nfs/dbraw/zinc/84/28/03/664842803.db2.gz SKWMBEJORPRWMB-LBPRGKRZSA-N 1 0 377.286 2.806 20 0 GFADRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C[C@H]1C(=O)Nc2c1cccc2Br ZINC000932908314 664842866 /nfs/dbraw/zinc/84/28/66/664842866.db2.gz REBBQSCORMMHRY-GXTWGEPZSA-N 1 0 394.313 2.675 20 0 GFADRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1cnnn1-c1cccc(Cl)c1Cl ZINC000933433250 664863609 /nfs/dbraw/zinc/86/36/09/664863609.db2.gz CSJHWIJNISYGPR-AAEUAGOBSA-N 1 0 382.295 2.986 20 0 GFADRO C[C@](CO)(Cc1ccc(Br)cc1)[NH2+]C[C@@H](O)COCc1ccco1 ZINC000933437892 664863994 /nfs/dbraw/zinc/86/39/94/664863994.db2.gz QXSPFQTUBYTNTF-SJLPKXTDSA-N 1 0 398.297 2.503 20 0 GFADRO C[C@@H](NC(=O)C[C@H]1C(=O)Nc2ccc(Br)cc21)C(C)(C)C[NH+](C)C ZINC000933464339 664865817 /nfs/dbraw/zinc/86/58/17/664865817.db2.gz NCSPHOHFIYMSNP-BXUZGUMPSA-N 1 0 396.329 2.967 20 0 GFADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)C[C@@H]2C(=O)Nc3ccc(Br)cc32)C1 ZINC000933799178 664878625 /nfs/dbraw/zinc/87/86/25/664878625.db2.gz WPYDJYDWVAVBJX-WFASDCNBSA-N 1 0 394.313 2.675 20 0 GFADRO CCOC(=O)C1([C@@H](C)[NH2+]Cc2cnc(Br)c(C)c2)CCOCC1 ZINC000933875582 664879588 /nfs/dbraw/zinc/87/95/88/664879588.db2.gz BIULTNPQFFKRPG-CYBMUJFWSA-N 1 0 385.302 2.991 20 0 GFADRO Cc1c(Br)cc(F)cc1C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000934044311 664888692 /nfs/dbraw/zinc/88/86/92/664888692.db2.gz TWZQCQUGYMCQKL-UHFFFAOYSA-N 1 0 385.277 2.833 20 0 GFADRO C[C@@H](NCC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)c1cncs1 ZINC000934199077 664892043 /nfs/dbraw/zinc/89/20/43/664892043.db2.gz YGFDKFYBZJPYMT-CQSZACIVSA-N 1 0 376.551 2.981 20 0 GFADRO O=C(c1cc(F)cc(Br)c1F)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000934222325 664892747 /nfs/dbraw/zinc/89/27/47/664892747.db2.gz KEBVYCDOEFRXEC-NSHDSACASA-N 1 0 389.240 2.522 20 0 GFADRO O=C(c1cc(Br)cnc1C1CC1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000934223086 664892804 /nfs/dbraw/zinc/89/28/04/664892804.db2.gz QTZMNGRBMQKUQE-CYBMUJFWSA-N 1 0 394.313 2.516 20 0 GFADRO O=c1cc(C[NH2+][C@@H]2CCOC23CCCC3)nc2ccc(Br)cn12 ZINC000934389878 664904937 /nfs/dbraw/zinc/90/49/37/664904937.db2.gz FSZNNNUITAUSCF-CQSZACIVSA-N 1 0 378.270 2.648 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCOC12CCOCC2)C(=O)Nc1ccc(Br)cc1 ZINC000934403433 664905935 /nfs/dbraw/zinc/90/59/35/664905935.db2.gz GWCDODNXPLBPNE-SWLSCSKDSA-N 1 0 383.286 2.704 20 0 GFADRO C[C@](CO)([NH2+]CC(=O)NCc1cccs1)c1cccc(Br)c1 ZINC000934499650 664909674 /nfs/dbraw/zinc/90/96/74/664909674.db2.gz XFDADKALJSMAMY-MRXNPFEDSA-N 1 0 383.311 2.624 20 0 GFADRO Cc1[nH]nc(Br)c1C(=O)N[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000934571619 664912055 /nfs/dbraw/zinc/91/20/55/664912055.db2.gz XIDDHBDZAOLIAD-RISCZKNCSA-N 1 0 377.286 2.873 20 0 GFADRO C[NH+]1CCC(OCC(=O)N2CCc3c(F)cc(Br)cc3C2)CC1 ZINC000934636164 664913631 /nfs/dbraw/zinc/91/36/31/664913631.db2.gz PIQCVMWNLLQCCO-UHFFFAOYSA-N 1 0 385.277 2.584 20 0 GFADRO OC[C@H]([NH2+]CCCc1cccnc1)c1ccccc1I ZINC000934827024 664924670 /nfs/dbraw/zinc/92/46/70/664924670.db2.gz QQQCIFPPVSKBAT-INIZCTEOSA-N 1 0 382.245 2.942 20 0 GFADRO CCOC(=O)CCCC[NH2+][C@@H](CO)c1ccccc1I ZINC000934827942 664925397 /nfs/dbraw/zinc/92/53/97/664925397.db2.gz COPJQWRUMMKDDD-AWEZNQCLSA-N 1 0 391.249 2.648 20 0 GFADRO CC(C)N(CC[NH+](C)C)C(=O)c1cc2ccc(Br)cc2c(=O)o1 ZINC000935026549 664934351 /nfs/dbraw/zinc/93/43/51/664934351.db2.gz ZRCPELXAALSGTB-UHFFFAOYSA-N 1 0 381.270 2.968 20 0 GFADRO C[C@@H]1CN(C(=O)c2cc3ccc(Br)cc3c(=O)o2)[C@@H](C)C[N@@H+]1C ZINC000935188517 664945308 /nfs/dbraw/zinc/94/53/08/664945308.db2.gz AYBNWWXICAOZTG-MNOVXSKESA-N 1 0 379.254 2.720 20 0 GFADRO C[C@@H](NC(=O)c1ncc(Br)cn1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000935288347 664951092 /nfs/dbraw/zinc/95/10/92/664951092.db2.gz UFLOBQVLRGFKFH-HIFRSBDPSA-N 1 0 389.297 2.880 20 0 GFADRO Cc1cc(C(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)oc1Br ZINC000935317065 664953487 /nfs/dbraw/zinc/95/34/87/664953487.db2.gz JBPHDKHNCIBHFS-OAHLLOKOSA-N 1 0 393.281 2.847 20 0 GFADRO CN(CCC[NH+]1CCCC1)C(=O)C[C@@H]1C(=O)Nc2ccc(Br)cc21 ZINC000935797887 664989486 /nfs/dbraw/zinc/98/94/86/664989486.db2.gz KLFPLTYCSXLIQH-HNNXBMFYSA-N 1 0 394.313 2.819 20 0 GFADRO C[NH+]1CCC(OCC(=O)Nc2c(O)cc(Br)cc2Cl)CC1 ZINC000935950684 665000706 /nfs/dbraw/zinc/00/07/06/665000706.db2.gz PCKNGKBGJNTFPD-UHFFFAOYSA-N 1 0 377.666 2.857 20 0 GFADRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1cnn2cccc(Br)c12 ZINC000935976332 665002202 /nfs/dbraw/zinc/00/22/02/665002202.db2.gz MARHDSBWQWKGLV-WFASDCNBSA-N 1 0 377.286 2.796 20 0 GFADRO COCCCN(C(=O)c1cnc(Br)c(C)c1)C1CC[NH+](C)CC1 ZINC000936048198 665005828 /nfs/dbraw/zinc/00/58/28/665005828.db2.gz DYJKHYONXNFENJ-UHFFFAOYSA-N 1 0 384.318 2.725 20 0 GFADRO CC[C@@H]1[C@@H](NC(=O)c2sccc2Cl)CCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000984984900 665019317 /nfs/dbraw/zinc/01/93/17/665019317.db2.gz XMLJCXXFMGZBTP-RJZRQDKASA-N 1 0 383.945 2.851 20 0 GFADRO C[C@@H]1[C@H](C(=O)N2C[C@@H](CNC(=O)c3cc(Cl)cs3)[C@H](C)C2)CC[N@@H+]1C ZINC000993999888 665022502 /nfs/dbraw/zinc/02/25/02/665022502.db2.gz LOYWVIUTLMAGGT-RGCMKSIDSA-N 1 0 383.945 2.566 20 0 GFADRO C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)c2cscc2Cl)CC[N@@H+]1C ZINC000997006084 665034542 /nfs/dbraw/zinc/03/45/42/665034542.db2.gz BZZYIACWPNATEP-ZQGUGBBBSA-N 1 0 381.929 2.603 20 0 GFADRO C[N@@H+]1CC[C@H](CC(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2cscc2Cl)C3)C1 ZINC000997468010 665036303 /nfs/dbraw/zinc/03/63/03/665036303.db2.gz OIROUZCSLRTBKE-MPTQWLOMSA-N 1 0 381.929 2.605 20 0 GFADRO C[C@@H]1CCC[N@@H+]1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cc(Cl)cs1 ZINC001000459060 665046597 /nfs/dbraw/zinc/04/65/97/665046597.db2.gz KBRZHYJGJUSDBU-RZFFKMDDSA-N 1 0 381.929 2.748 20 0 GFADRO O=C(NCC1=CC[N@H+](CC[C@H]2CC2(Cl)Cl)CC1)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001000980581 665048666 /nfs/dbraw/zinc/04/86/66/665048666.db2.gz NNKRULULXYYADQ-NEXGVSGLSA-N 1 0 385.335 2.742 20 0 GFADRO C[C@H]1CCC[N@@H+]1CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1csc(Cl)c1)C2 ZINC001002615188 665055732 /nfs/dbraw/zinc/05/57/32/665055732.db2.gz PRVYMNBOJYHAAL-MYPMTAMASA-N 1 0 381.929 2.748 20 0 GFADRO C[NH+](C)[C@@H](C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cscc1Cl)C2)C1CC1 ZINC001003449538 665060966 /nfs/dbraw/zinc/06/09/66/665060966.db2.gz UFNGWFQMLVXERJ-BQDHKBFISA-N 1 0 381.929 2.603 20 0 GFADRO C[C@H]1CC[N@H+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2sccc2Cl)C1 ZINC001006292779 665069830 /nfs/dbraw/zinc/06/98/30/665069830.db2.gz AJTLVADLWYAWAE-MXYBEHONSA-N 1 0 381.929 2.605 20 0 GFADRO CC1(NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC[NH+](CC[C@H]2CC2(Cl)Cl)CC1 ZINC001045510255 665076872 /nfs/dbraw/zinc/07/68/72/665076872.db2.gz VMOJNRSWWVNJRK-AYCBFJCHSA-N 1 0 387.351 2.964 20 0 GFADRO CN(C(=O)c1ccc(I)c(Cl)c1)[C@@H](C[NH3+])C1CC1 ZINC000232338101 677404980 /nfs/dbraw/zinc/40/49/80/677404980.db2.gz ZKRDVOOKDDQGOC-LBPRGKRZSA-N 1 0 378.641 2.754 20 0 GFADRO C[C@H](CC(=O)NC[C@@H](C)N1CC[NH+](C)CC1)c1ccc(Br)cc1 ZINC000120483094 677396468 /nfs/dbraw/zinc/39/64/68/677396468.db2.gz NKENOICTQIRKCO-HUUCEWRRSA-N 1 0 382.346 2.695 20 0 GFADRO O=S(=O)(Cc1ccc(Br)cc1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000120866643 677397977 /nfs/dbraw/zinc/39/79/77/677397977.db2.gz OMQBRYFQOQZKPA-OAHLLOKOSA-N 1 0 387.343 2.697 20 0 GFADRO CC(C)[N@H+](C)C[C@@H](C)NS(=O)(=O)c1cc(Br)cnc1Cl ZINC000380836612 677405962 /nfs/dbraw/zinc/40/59/62/677405962.db2.gz VWKRSDOHRQFNSA-SECBINFHSA-N 1 0 384.727 2.505 20 0 GFADRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000391716924 677409208 /nfs/dbraw/zinc/40/92/08/677409208.db2.gz DKIDVPNIJNQYGO-NSHDSACASA-N 1 0 375.878 2.567 20 0 GFADRO O=C(C[NH2+]Cc1cc(Br)c(Br)s1)NCC(F)F ZINC000393699012 677410797 /nfs/dbraw/zinc/41/07/97/677410797.db2.gz HAYLWXNZPNNLIQ-UHFFFAOYSA-N 1 0 392.063 2.744 20 0 GFADRO C[C@H]([NH2+][C@H](CO)C1CCOCC1)c1ccc(I)cc1 ZINC000580237308 677673905 /nfs/dbraw/zinc/67/39/05/677673905.db2.gz KDJUNMUJUSWSMP-XHDPSFHLSA-N 1 0 375.250 2.729 20 0 GFADRO CCN(CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@H]3[NH2+]CCO[C@@H]3C2)n1 ZINC001164389898 718824670 /nfs/dbraw/zinc/82/46/70/718824670.db2.gz KRFVFIKWMMYACR-HZPDHXFCSA-N 1 0 389.569 2.717 20 0 GFADRO Fc1ccc2nc(-c3ccccc3F)nc(N3CCN4CC[NH2+]C[C@H]4C3)c2c1 ZINC001164394421 718831548 /nfs/dbraw/zinc/83/15/48/718831548.db2.gz ZPHLAFGMZMJTQF-HNNXBMFYSA-N 1 0 381.430 2.669 20 0 GFADRO FC(F)(Oc1ccccc1-c1cccc(Cl)n1)N1CCN2CC[NH2+]C[C@@H]2C1 ZINC001164399718 718842764 /nfs/dbraw/zinc/84/27/64/718842764.db2.gz FEWMZJGOCSGVRT-CQSZACIVSA-N 1 0 394.853 2.921 20 0 GFADRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(F)(F)c1cnc(Cl)c(Cl)c1 ZINC001164618904 719012332 /nfs/dbraw/zinc/01/23/32/719012332.db2.gz URDVKNMPOQCPQC-KPXOXKRLSA-N 1 0 380.222 2.663 20 0 GFADRO CCOC(=O)C1CC[NH+](C2CCN(c3cc4c(nn3)CC[C@H](C)C4)CC2)CC1 ZINC001164616499 719034005 /nfs/dbraw/zinc/03/40/05/719034005.db2.gz DTJSTSYIFKHWFX-INIZCTEOSA-N 1 0 386.540 2.845 20 0 GFADRO COC(=O)c1cnc(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)cc1OC ZINC001164629884 719061120 /nfs/dbraw/zinc/06/11/20/719061120.db2.gz ZROADGXMCBNOIU-PKOBYXMFSA-N 1 0 381.476 2.978 20 0 GFADRO COC(=O)c1cc(OC)cnc1N1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001164623559 719070203 /nfs/dbraw/zinc/07/02/03/719070203.db2.gz JTGHCESJKHLBOK-FXAWDEMLSA-N 1 0 381.476 2.978 20 0 GFADRO CN(C)c1nc(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)nc2nc[nH]c21 ZINC001164625018 719084573 /nfs/dbraw/zinc/08/45/73/719084573.db2.gz MOWQAZYJIMXRHW-DLBZAZTESA-N 1 0 377.496 2.520 20 0 GFADRO COC(=O)c1cnc(Cl)c(C(F)(F)N2C[C@H](CF)[C@H](C3([NH3+])CC3)C2)c1 ZINC001164622561 719120888 /nfs/dbraw/zinc/12/08/88/719120888.db2.gz PJNPBYIKESSWFG-CMPLNLGQSA-N 1 0 377.794 2.580 20 0 GFADRO Cc1sc2nc(CN3CCOCC3)nc(N3C[C@H](C)[N@@H+](C)C[C@H]3C)c2c1C ZINC001164631343 719236585 /nfs/dbraw/zinc/23/65/85/719236585.db2.gz DAXAGUXDMLUSAO-UONOGXRCSA-N 1 0 389.569 2.669 20 0 GFADRO Cc1cc(N2CCCC2)nc(N2CCc3c(CN(C)C)nn(C(C)C)c3C2)[nH+]1 ZINC001164647320 719306497 /nfs/dbraw/zinc/30/64/97/719306497.db2.gz LWNYMFRLGUJGIA-UHFFFAOYSA-N 1 0 383.544 2.787 20 0 GFADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3cnccn3)CC2)c2ccccc21 ZINC001164685411 719654224 /nfs/dbraw/zinc/65/42/24/719654224.db2.gz ZZTVGUVJJMWRHA-SFHVURJKSA-N 1 0 393.535 2.570 20 0 GFADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1nc(Cl)nc3cccc(F)c31)CC2 ZINC001164686226 719713424 /nfs/dbraw/zinc/71/34/24/719713424.db2.gz YFMANVMALPFFIZ-UHFFFAOYSA-N 1 0 391.878 2.603 20 0 GFADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1cccc(OCc3ccccc3)n1)CC2 ZINC001164684550 719732470 /nfs/dbraw/zinc/73/24/70/719732470.db2.gz IDLZHQLDOUSYOB-UHFFFAOYSA-N 1 0 394.519 2.841 20 0 GFADRO COC(=O)c1cnc(N2CCC3(CCC[N@@H+]3Cc3csc(C)n3)CC2)nc1 ZINC001164692375 719805212 /nfs/dbraw/zinc/80/52/12/719805212.db2.gz NPHIGHDRYXHULO-UHFFFAOYSA-N 1 0 387.509 2.663 20 0 GFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ncc(C)c(NCC3CC3)n1)C2 ZINC001164806402 720067080 /nfs/dbraw/zinc/06/70/80/720067080.db2.gz CBXUKAHJECFEQX-KNQAVFIVSA-N 1 0 385.556 2.792 20 0 GFADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncc(C)nc1C)CC2 ZINC001164710031 720096492 /nfs/dbraw/zinc/09/64/92/720096492.db2.gz FVFQWKLTZBTBGG-HXUWFJFHSA-N 1 0 381.524 2.996 20 0 GFADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nnc(C)cc1C)CC2 ZINC001164718599 720109435 /nfs/dbraw/zinc/10/94/35/720109435.db2.gz SZLNZRGPLUPQGO-HXUWFJFHSA-N 1 0 381.524 2.996 20 0 GFADRO CCOC(=O)c1c(C)ccnc1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COC ZINC001164811724 720147881 /nfs/dbraw/zinc/14/78/81/720147881.db2.gz NBDPABHMAWJVQI-GCJKJVERSA-N 1 0 387.524 2.751 20 0 GFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ncc(C)cc1C(OC)OC)C2 ZINC001164816253 720150000 /nfs/dbraw/zinc/15/00/00/720150000.db2.gz KLYLDBDVXXPDDU-AVRDEDQJSA-N 1 0 389.540 2.866 20 0 GFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ccnc(N3CCCCC3)n1)C2 ZINC001164817874 720162879 /nfs/dbraw/zinc/16/28/79/720162879.db2.gz QPYMZPDFQHDFJB-SIKLNZKXSA-N 1 0 385.556 2.652 20 0 GFADRO Cc1cc2c(ncnc2N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)s1 ZINC001164819092 720287580 /nfs/dbraw/zinc/28/75/80/720287580.db2.gz PKRYARAIOIBWKP-ROUUACIJSA-N 1 0 399.564 2.911 20 0 GFADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2ncnc3sccc32)CC1 ZINC001164820327 720287610 /nfs/dbraw/zinc/28/76/10/720287610.db2.gz VTPIHDIPNLUFTD-IRXDYDNUSA-N 1 0 385.537 2.603 20 0 GFADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2ncc(Cl)cc2F)CC1 ZINC001164820146 720295758 /nfs/dbraw/zinc/29/57/58/720295758.db2.gz GUXYYAPPBVDQOS-IAGOWNOFSA-N 1 0 380.895 2.786 20 0 GFADRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(c2cc(C(=O)Nc3ccccc3)ccn2)C1 ZINC001164726161 720515742 /nfs/dbraw/zinc/51/57/42/720515742.db2.gz BAINJKOAVKQAIL-QGZVFWFLSA-N 1 0 390.491 2.728 20 0 GFADRO COc1cc2c(cc1Cl)ncnc2N1Cc2nccn2C[C@@H](C[NH+](C)C)C1 ZINC001164728829 720515888 /nfs/dbraw/zinc/51/58/88/720515888.db2.gz LTLXUJHSSXYMRS-CYBMUJFWSA-N 1 0 386.887 2.686 20 0 GFADRO COC(=O)c1cnc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c(C)c1 ZINC001164835314 720524992 /nfs/dbraw/zinc/52/49/92/720524992.db2.gz JWSVWDLWKLFZCH-SLFFLAALSA-N 1 0 397.523 2.751 20 0 GFADRO COC(=O)c1ccc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)nc1C ZINC001164838970 720533327 /nfs/dbraw/zinc/53/33/27/720533327.db2.gz PGUPMLIDHWTMGA-WSTZPKSXSA-N 1 0 397.523 2.751 20 0 GFADRO CSc1ncc(Cl)c(N2CCc3ncc(C[NH+]4CCCC4)n3CC2)n1 ZINC001164733134 720553941 /nfs/dbraw/zinc/55/39/41/720553941.db2.gz JYZYHCOGWZLCFK-UHFFFAOYSA-N 1 0 378.933 2.707 20 0 GFADRO Cc1cccc2c(C)cc(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)nc12 ZINC001164742455 720625435 /nfs/dbraw/zinc/62/54/35/720625435.db2.gz NIWJVNUYDWTWFJ-ZWKOTPCHSA-N 1 0 375.476 2.984 20 0 GFADRO COc1nc(C)nc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c1C ZINC001164843517 720635602 /nfs/dbraw/zinc/63/56/02/720635602.db2.gz XOYKPKYOTGHNLS-GBESFXJTSA-N 1 0 384.528 2.676 20 0 GFADRO CN(C)c1cc(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)ncn1 ZINC001164840476 720657308 /nfs/dbraw/zinc/65/73/08/720657308.db2.gz MSHZLSVEKDAPJU-LJQANCHMSA-N 1 0 381.524 2.803 20 0 GFADRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1cc3c(cn1)NC(=O)C3)CC2 ZINC001164840473 720668473 /nfs/dbraw/zinc/66/84/73/720668473.db2.gz MRVOVTGPRKYZNJ-IBGZPJMESA-N 1 0 392.503 2.836 20 0 GFADRO COc1ncc(F)c(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC001164845279 720687548 /nfs/dbraw/zinc/68/75/48/720687548.db2.gz XRBUWFOFLOAKRX-KRWDZBQOSA-N 1 0 386.471 2.884 20 0 GFADRO c1ncn(C[C@H]2C[C@H]3CN(c4ncc5ccccc5n4)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164748326 720808950 /nfs/dbraw/zinc/80/89/50/720808950.db2.gz QTCGQCHLRRDKRK-QKNQBKEWSA-N 1 0 389.507 2.601 20 0 GFADRO c1ncn(C[C@H]2C[C@@H]3CN(c4cnc5ccccc5n4)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164751291 720813148 /nfs/dbraw/zinc/81/31/48/720813148.db2.gz YCCRNHWVVKNIEO-DBXWQHBBSA-N 1 0 389.507 2.601 20 0 GFADRO c1ncn(C[C@H]2C[C@H]3CN(c4ccc5cccnc5n4)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164743309 720825783 /nfs/dbraw/zinc/82/57/83/720825783.db2.gz RZTLSSTXEVWGPQ-XUVXKRRUSA-N 1 0 389.507 2.601 20 0 GFADRO COCC[N@@H+]1CCO[C@@H]2CN(c3nc4ccc(C)cc4nc3Cl)CC[C@@H]2C1 ZINC001164858329 720851638 /nfs/dbraw/zinc/85/16/38/720851638.db2.gz ZQIHYLHRSXPSPK-CRAIPNDOSA-N 1 0 390.915 2.765 20 0 GFADRO COCC[N@@H+]1CCO[C@H]2CN(c3cccc(OCc4ccccc4)n3)CC[C@@H]2C1 ZINC001164860875 720867833 /nfs/dbraw/zinc/86/78/33/720867833.db2.gz WWWUKEHIAOLWNF-RTWAWAEBSA-N 1 0 397.519 2.834 20 0 GFADRO COCC[N@@H+]1CCO[C@@H]2CN(c3cccc(OCc4ccccc4)n3)CC[C@H]2C1 ZINC001164860871 720867877 /nfs/dbraw/zinc/86/78/77/720867877.db2.gz WWWUKEHIAOLWNF-LEWJYISDSA-N 1 0 397.519 2.834 20 0 GFADRO Cc1csc2ncnc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)c12 ZINC001164870044 721043920 /nfs/dbraw/zinc/04/39/20/721043920.db2.gz VIYNQBQJSQSQHS-IRXDYDNUSA-N 1 0 381.505 2.874 20 0 GFADRO Clc1cc(Cl)c(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)nn1 ZINC001164869165 721052350 /nfs/dbraw/zinc/05/23/50/721052350.db2.gz SBNCWZIAEFWHDO-UONOGXRCSA-N 1 0 380.279 2.658 20 0 GFADRO COc1ccc2ncnc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)c2c1 ZINC001164867151 721063177 /nfs/dbraw/zinc/06/31/77/721063177.db2.gz INGKASYCTJPOPO-MJGOQNOKSA-N 1 0 391.475 2.513 20 0 GFADRO Cc1nc2ccccc2c(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164867829 721063654 /nfs/dbraw/zinc/06/36/54/721063654.db2.gz KTPPARGETNJTOM-RTBURBONSA-N 1 0 375.476 2.813 20 0 GFADRO Cc1nc2cc(F)ccc2c(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164865831 721067101 /nfs/dbraw/zinc/06/71/01/721067101.db2.gz AIDIIPJNAWNLTP-OALUTQOASA-N 1 0 393.466 2.952 20 0 GFADRO Fc1cccc2c1ncnc2N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164866664 721078503 /nfs/dbraw/zinc/07/85/03/721078503.db2.gz UPXMXOUCLMSIDX-IRXDYDNUSA-N 1 0 379.439 2.644 20 0 GFADRO Fc1ccc2ncc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)nc2c1 ZINC001164862872 721078779 /nfs/dbraw/zinc/07/87/79/721078779.db2.gz BLEVICPAIYXVGL-QZTJIDSGSA-N 1 0 379.439 2.644 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4cc(C(=O)OC(C)(C)C)ccn4)C[C@@H]3C2)cn1 ZINC001164773196 721087783 /nfs/dbraw/zinc/08/77/83/721087783.db2.gz XBANDIZZFQVTND-OALUTQOASA-N 1 0 397.523 2.729 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4nc(Cl)nc5c4CSC5)C[C@@H]3C2)cn1 ZINC001164765770 721103804 /nfs/dbraw/zinc/10/38/04/721103804.db2.gz KJRATRQLDYBHHN-KGLIPLIRSA-N 1 0 390.944 2.569 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4nc5ccccc5nc4Cl)C[C@H]3C2)cn1 ZINC001164767323 721109662 /nfs/dbraw/zinc/10/96/62/721109662.db2.gz MTBPHNYROWTNIH-HZPDHXFCSA-N 1 0 382.899 2.975 20 0 GFADRO Clc1nnc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)c2occc21 ZINC001164864037 721114108 /nfs/dbraw/zinc/11/41/08/721114108.db2.gz DNRCPEHOJNCFSD-HUUCEWRRSA-N 1 0 385.855 2.751 20 0 GFADRO Cc1cc2ncnc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)c2s1 ZINC001164879082 721126468 /nfs/dbraw/zinc/12/64/68/721126468.db2.gz RQGZGPDHTRHSKS-DLBZAZTESA-N 1 0 381.505 2.874 20 0 GFADRO Fc1cnc2ccc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)nc2c1 ZINC001164877016 721126875 /nfs/dbraw/zinc/12/68/75/721126875.db2.gz NUXCPVAUKAUULI-ZWKOTPCHSA-N 1 0 379.439 2.644 20 0 GFADRO CCOc1ccc2ncnc(N3C[C@@H]4C[N@@H+](Cc5cnn(C)c5)CC[C@@H]4C3)c2c1 ZINC001164771762 721144817 /nfs/dbraw/zinc/14/48/17/721144817.db2.gz SZLNIYDFNHEZIV-MSOLQXFVSA-N 1 0 392.507 2.720 20 0 GFADRO CCCSc1cncc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164881046 721159263 /nfs/dbraw/zinc/15/92/63/721159263.db2.gz YVLSZBHMNQRSGZ-ZWKOTPCHSA-N 1 0 385.537 2.853 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4ccc(-c5cccs5)nn4)C[C@H]3C2)cn1 ZINC001164772307 721161091 /nfs/dbraw/zinc/16/10/91/721161091.db2.gz VNFHMSBJXWATJL-IAGOWNOFSA-N 1 0 380.521 2.897 20 0 GFADRO CCc1cc2c(nc(Cl)nc2N2C[C@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)[nH]1 ZINC001164763219 721184223 /nfs/dbraw/zinc/18/42/23/721184223.db2.gz DSYCMLKCZJYFMY-HUUCEWRRSA-N 1 0 399.930 2.866 20 0 GFADRO COc1ccc2nc(N3C[C@H]4CC[N@H+](Cc5cnn(C)c5)C[C@@H]4C3)c(C)nc2c1 ZINC001164761429 721213862 /nfs/dbraw/zinc/21/38/62/721213862.db2.gz AZSYHEHUFJRHBI-QZTJIDSGSA-N 1 0 392.507 2.639 20 0 GFADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4ncc(Cl)cc4F)C3)O2)CC1 ZINC001164888512 721386105 /nfs/dbraw/zinc/38/61/05/721386105.db2.gz JTHQXQMIWCUJLO-APWZRJJASA-N 1 0 382.911 2.640 20 0 GFADRO Cc1cnc(N2CC[C@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)c(Cl)c1 ZINC001164884405 721387809 /nfs/dbraw/zinc/38/78/09/721387809.db2.gz ARCMTJIYCYBPEG-PXNSSMCTSA-N 1 0 378.948 2.809 20 0 GFADRO Cc1nc(C)c(N2CC[C@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)c(Cl)n1 ZINC001164891482 721404871 /nfs/dbraw/zinc/40/48/71/721404871.db2.gz WKCCFHLAOAWMAS-XLIONFOSSA-N 1 0 393.963 2.512 20 0 GFADRO Cc1cccc2ncc(N3CC[C@@]4(C3)CCC[C@@H](C[NH+]3CCN(C)CC3)O4)nc12 ZINC001164884116 721405047 /nfs/dbraw/zinc/40/50/47/721405047.db2.gz DDPLCXGWVMFVPI-WMZHIEFXSA-N 1 0 395.551 2.704 20 0 GFADRO Cc1nc(C)c(N2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)c(Cl)n1 ZINC001164891483 721405268 /nfs/dbraw/zinc/40/52/68/721405268.db2.gz WKCCFHLAOAWMAS-YLJYHZDGSA-N 1 0 393.963 2.512 20 0 GFADRO CC(C)Oc1cccc(N2CC[C@@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)n1 ZINC001164885191 721418318 /nfs/dbraw/zinc/41/83/18/721418318.db2.gz GEKRQIUJLSMDDH-SIKLNZKXSA-N 1 0 388.556 2.634 20 0 GFADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4ncc5cc(F)ccc5n4)C3)O2)CC1 ZINC001164893784 721426408 /nfs/dbraw/zinc/42/64/08/721426408.db2.gz KLETXTOVGBCCQR-DENIHFKCSA-N 1 0 399.514 2.534 20 0 GFADRO Cc1cc2ccncc2nc1N1CC[C@@]2(C1)CCC[C@@H](C[NH+]1CCN(C)CC1)O2 ZINC001164895825 721443932 /nfs/dbraw/zinc/44/39/32/721443932.db2.gz QBFJTBZQHXKTIL-NZQKXSOJSA-N 1 0 395.551 2.704 20 0 GFADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ccc(Cl)nn1)CC2 ZINC001164784354 721452578 /nfs/dbraw/zinc/45/25/78/721452578.db2.gz FAILLBUWXIKPQN-QGZVFWFLSA-N 1 0 394.947 2.864 20 0 GFADRO O=C(NC1CCC1)[C@@H]1COC2(C1)CCN(c1ccc(C[NH+]3CCCC3)cn1)CC2 ZINC001164901234 721490111 /nfs/dbraw/zinc/49/01/11/721490111.db2.gz UUOIGUMGOCUZLE-IBGZPJMESA-N 1 0 398.551 2.722 20 0 GFADRO Cc1nc2nc(N3CCC4(CC([N@H+](C)Cc5ccncc5)C4)CC3)ncc2[nH]1 ZINC001164795359 721498122 /nfs/dbraw/zinc/49/81/22/721498122.db2.gz GBLDZQIJUCYSEQ-UHFFFAOYSA-N 1 0 377.496 2.889 20 0 GFADRO COC(=O)c1cnc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)c(C)c1 ZINC001164899118 721524517 /nfs/dbraw/zinc/52/45/17/721524517.db2.gz KDXUIUJTRLFVQT-MJGOQNOKSA-N 1 0 385.439 2.658 20 0 GFADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncnc3ccccc32)[C@@H]2CCCO[C@@H]12 ZINC001164802542 721529991 /nfs/dbraw/zinc/52/99/91/721529991.db2.gz GYZZERIDCONJKV-NJDAHSKKSA-N 1 0 375.476 2.893 20 0 GFADRO Cc1nc2ccc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@@H]43)nc2n1C ZINC001164802206 721553967 /nfs/dbraw/zinc/55/39/67/721553967.db2.gz HRJOMEUAXRYPDY-IRFCIJBXSA-N 1 0 392.507 2.540 20 0 GFADRO CCOC(=O)Cc1ccnc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)c1 ZINC001164909201 721566628 /nfs/dbraw/zinc/56/66/28/721566628.db2.gz SVRZIKAFBDAMEH-AZUAARDMSA-N 1 0 399.466 2.668 20 0 GFADRO Cc1nc2c(c(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@@H]43)n1)CCC2 ZINC001164798210 721570962 /nfs/dbraw/zinc/57/09/62/721570962.db2.gz AVNZXZDOGGTCHY-PCCBWWKXSA-N 1 0 379.508 2.537 20 0 GFADRO CN(C)c1cc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)ncn1 ZINC001164906028 721584091 /nfs/dbraw/zinc/58/40/91/721584091.db2.gz YOFNUUSAAIGCFL-LJQANCHMSA-N 1 0 388.466 2.675 20 0 GFADRO CCOc1ccc(Cl)nc1N1CCCC12CC[NH+](CC(=O)N(C)C)CC2 ZINC001165011169 721739473 /nfs/dbraw/zinc/73/94/73/721739473.db2.gz OLMXVMLHXCDNPH-UHFFFAOYSA-N 1 0 380.920 2.657 20 0 GFADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc4c(n3)NC(=O)CO4)C[C@H]21 ZINC001165018779 721814988 /nfs/dbraw/zinc/81/49/88/721814988.db2.gz ACISXFMBXXRBBE-KBAYOESNSA-N 1 0 393.491 2.544 20 0 GFADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc(-n4ccnc4)nn3)C[C@H]21 ZINC001165027108 721817698 /nfs/dbraw/zinc/81/76/98/721817698.db2.gz SGVNKKSDXCBBBO-DFQSSKMNSA-N 1 0 389.507 2.794 20 0 GFADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cncc(-n4ccnc4)n3)C[C@@H]21 ZINC001165024747 721818333 /nfs/dbraw/zinc/81/83/33/721818333.db2.gz KLWTVGULGZTMLF-YZGWKJHDSA-N 1 0 389.507 2.794 20 0 GFADRO CN(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCN2c1nc(Cl)nc2c(Cl)nccc21 ZINC001164928600 721877055 /nfs/dbraw/zinc/87/70/55/721877055.db2.gz ZALZCLKRFHKTCL-STQMWFEESA-N 1 0 381.311 2.546 20 0 GFADRO CN(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2c1nc(-c2ccncc2)nc2sccc21 ZINC001164934424 721886039 /nfs/dbraw/zinc/88/60/39/721886039.db2.gz RNGHVTCCZNUHNE-ZWKOTPCHSA-N 1 0 394.548 2.968 20 0 GFADRO CN(C)CC[N@@H+]1CC[C@H]2[C@H]1CCN2c1nc(-c2ccccn2)nc2sccc21 ZINC001164936334 721886229 /nfs/dbraw/zinc/88/62/29/721886229.db2.gz ZNIXUDNBPULBKR-MSOLQXFVSA-N 1 0 394.548 2.968 20 0 GFADRO C[NH+](C)[C@@H]1CCCN(c2ncccc2C(=O)NCCSCc2ccco2)C1 ZINC001165039515 721893495 /nfs/dbraw/zinc/89/34/95/721893495.db2.gz MXIVNQZQUBRUIB-MRXNPFEDSA-N 1 0 388.537 2.868 20 0 GFADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4nc(C)ccc4C(N)=O)CC3)C2)cc1 ZINC001164938688 721930686 /nfs/dbraw/zinc/93/06/86/721930686.db2.gz DQWGSNCQFWYSDF-UHFFFAOYSA-N 1 0 394.519 2.669 20 0 GFADRO CC[NH+](CC)C1CCN(c2ncc(C(=O)N3CCOCC3)cc2Cl)CC1 ZINC001165054624 722006105 /nfs/dbraw/zinc/00/61/05/722006105.db2.gz ULZKRXUZIMCLCZ-UHFFFAOYSA-N 1 0 380.920 2.518 20 0 GFADRO Cc1c[nH]c2ncnc(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)c12 ZINC001164958725 722051922 /nfs/dbraw/zinc/05/19/22/722051922.db2.gz FYAIGNDOWRCQGP-UHFFFAOYSA-N 1 0 392.507 2.780 20 0 GFADRO COc1ccc(C)nc1N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164963788 722055524 /nfs/dbraw/zinc/05/55/24/722055524.db2.gz KWPWSUFMLDWBOZ-UHFFFAOYSA-N 1 0 382.508 2.913 20 0 GFADRO COc1nc(C)nc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)c1C ZINC001164964148 722061480 /nfs/dbraw/zinc/06/14/80/722061480.db2.gz FCAJNFZQENFDPJ-UHFFFAOYSA-N 1 0 397.523 2.616 20 0 GFADRO Clc1nc2cc[nH]c2c(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164983404 722099101 /nfs/dbraw/zinc/09/91/01/722099101.db2.gz PYLYPLDPMJUSCB-RDJZCZTQSA-N 1 0 398.898 2.734 20 0 GFADRO c1cncc(C[N@@H+]2CCO[C@@H]3CN(c4ccc5ncccc5n4)CC[C@H]3C2)c1 ZINC001164972427 722112044 /nfs/dbraw/zinc/11/20/44/722112044.db2.gz FGCNISBSSPCILM-GHTZIAJQSA-N 1 0 375.476 2.752 20 0 GFADRO Clc1cnc(Cl)c(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164983095 722113016 /nfs/dbraw/zinc/11/30/16/722113016.db2.gz YFHUXZYKTWCVHL-GJZGRUSLSA-N 1 0 394.306 2.906 20 0 GFADRO COc1ccc(Cl)c(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164983737 722120055 /nfs/dbraw/zinc/12/00/55/722120055.db2.gz ZPDRPHRPRVCGCA-SJLPKXTDSA-N 1 0 388.899 2.866 20 0 GFADRO CC(C)(C)c1ccc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)nn1 ZINC001164976118 722142621 /nfs/dbraw/zinc/14/26/21/722142621.db2.gz HFRALWHDUPFAKH-RTBURBONSA-N 1 0 381.524 2.896 20 0 GFADRO NC(=O)c1cnc(Cl)nc1N1CCC[C@@]2(CC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001164993220 722195663 /nfs/dbraw/zinc/19/56/63/722195663.db2.gz CTSNBAGGCHQRMX-LJQANCHMSA-N 1 0 389.862 2.613 20 0 GFADRO O=C1COc2nc(N3CCC[C@@]4(CC[N@H+]4Cc4cccc(F)c4)C3)ccc2N1 ZINC001164993688 722199622 /nfs/dbraw/zinc/19/96/22/722199622.db2.gz HQJDWNOWLRXSSZ-OAQYLSRUSA-N 1 0 382.439 2.797 20 0 GFADRO Cc1csc2ncnc(N3CCCn4cnc(COCC[NH+](C)C)c4C3)c12 ZINC001165000274 722250487 /nfs/dbraw/zinc/25/04/87/722250487.db2.gz GBYXPLHABZQORD-UHFFFAOYSA-N 1 0 386.525 2.685 20 0 GFADRO COc1ccc([C@H](C)C[NH2+]C[C@@H]2CC(=O)N(C)[C@H]2c2c(C)nn(C)c2C)cc1 ZINC000328621538 203761863 /nfs/dbraw/zinc/76/18/63/203761863.db2.gz HUHOQUPROMXEGO-JVJLVOBOSA-N 1 0 384.524 2.958 20 0 GFADRO CC(C)CC[N@H+](C)CCC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1Cl ZINC000053363872 205136002 /nfs/dbraw/zinc/13/60/02/205136002.db2.gz SPLIGZLSKZUYLI-UHFFFAOYSA-N 1 0 389.949 2.897 20 0 GFADRO COC[C@H](O)CC[NH2+]Cc1cc(Br)c(OC)c(Br)c1 ZINC000231607862 553066090 /nfs/dbraw/zinc/06/60/90/553066090.db2.gz ZRTGVAYIKHFALL-SNVBAGLBSA-N 1 0 397.107 2.707 20 0 GFADRO C[NH+]1CCN(c2ccc(NC(=O)[C@@H]3CCCN3C(=O)c3cccs3)cc2)CC1 ZINC000104784499 536423668 /nfs/dbraw/zinc/42/36/68/536423668.db2.gz YLDIFCNWGAFPDV-SFHVURJKSA-N 1 0 398.532 2.743 20 0 GFADRO C[C@H]1OCC[C@@H]1[N@H+](CCO)Cc1ccc(I)c(Cl)c1 ZINC000436100441 563663974 /nfs/dbraw/zinc/66/39/74/563663974.db2.gz GAIZTFNNCQHWIP-YGRLFVJLSA-N 1 0 395.668 2.916 20 0 GFADRO C[C@H](C1CC1)[N@H+](CC(=O)NCC(=O)Nc1ccccc1Br)C1CC1 ZINC000029725431 551127286 /nfs/dbraw/zinc/12/72/86/551127286.db2.gz JBAGARHDHACHNK-GFCCVEGCSA-N 1 0 394.313 2.767 20 0 GFADRO Cc1ccc(Br)cc1S(=O)(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000030496735 551127920 /nfs/dbraw/zinc/12/79/20/551127920.db2.gz BSUZVVDNONKDIZ-UHFFFAOYSA-N 1 0 396.310 2.663 20 0 GFADRO CCC[NH+]1CCC(N(C)S(=O)(=O)c2cccc(Br)c2)CC1 ZINC000040446531 551134816 /nfs/dbraw/zinc/13/48/16/551134816.db2.gz SIDWJINXKIYVFF-UHFFFAOYSA-N 1 0 375.332 2.944 20 0 GFADRO CC(C)[C@@H](CNC(=O)c1cc(F)ccc1Br)[NH+]1CCN(C)CC1 ZINC000042580861 551139832 /nfs/dbraw/zinc/13/98/32/551139832.db2.gz JOSAFGCNVYEPID-MRXNPFEDSA-N 1 0 386.309 2.590 20 0 GFADRO COc1cc(I)c(Cl)cc1C(=O)NCCC[NH+](C)C ZINC000046116473 551148799 /nfs/dbraw/zinc/14/87/99/551148799.db2.gz RZFBUWIXAFTGCO-UHFFFAOYSA-N 1 0 396.656 2.635 20 0 GFADRO CC[NH+](CC)CCNC(=O)CCC(=O)c1cc(Br)ccc1OC ZINC000046464842 551151156 /nfs/dbraw/zinc/15/11/56/551151156.db2.gz VSLAFTXLMJUEMX-UHFFFAOYSA-N 1 0 385.302 2.879 20 0 GFADRO CC(=O)NCC1CC[NH+](C[C@@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000047773242 551153670 /nfs/dbraw/zinc/15/36/70/551153670.db2.gz DZYFUCDHDIEIRJ-OAHLLOKOSA-N 1 0 375.296 2.581 20 0 GFADRO C[C@H]1CN(S(=O)(=O)c2cc(Br)c(Cl)cc2Cl)C[C@H]1[NH3+] ZINC000440843320 563751720 /nfs/dbraw/zinc/75/17/20/563751720.db2.gz GHDHPOWEPSDWEW-QUBYGPBYSA-N 1 0 388.114 2.724 20 0 GFADRO CCC[N@@H+]1CC[C@H](CNC(=O)NCc2cc(Br)ccc2OC)C1 ZINC000050058979 551160119 /nfs/dbraw/zinc/16/01/19/551160119.db2.gz PDFHXHFMXLBSJR-CYBMUJFWSA-N 1 0 384.318 2.989 20 0 GFADRO C[NH+]1CCN(c2ccc(NC(=O)c3ccc(F)cc3Br)nc2)CC1 ZINC000053744915 551168041 /nfs/dbraw/zinc/16/80/41/551168041.db2.gz NRFCBNPLRYBFRN-UHFFFAOYSA-N 1 0 393.260 2.987 20 0 GFADRO C[C@H](CNC(=O)CCCOc1ccc(I)cc1)[NH+](C)C ZINC000056969306 551178856 /nfs/dbraw/zinc/17/88/56/551178856.db2.gz YHUVGXDLUVSXSC-GFCCVEGCSA-N 1 0 390.265 2.517 20 0 GFADRO C[C@H](NC(=O)NCCC[NH+](C)C)c1cc2c(cc1Br)OCCO2 ZINC000056991448 551179333 /nfs/dbraw/zinc/17/93/33/551179333.db2.gz OTJDTXBMYNKJTR-NSHDSACASA-N 1 0 386.290 2.532 20 0 GFADRO C[N@H+](CCCOCC(F)(F)F)CCCOc1ccc(S(C)(=O)=O)cc1 ZINC000064960726 551185117 /nfs/dbraw/zinc/18/51/17/551185117.db2.gz KSULXXOSSCARRW-UHFFFAOYSA-N 1 0 383.432 2.760 20 0 GFADRO CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccc(C)c(Br)c2)C1 ZINC000067393810 551188079 /nfs/dbraw/zinc/18/80/79/551188079.db2.gz IVNFLVPJKNXDJT-CYBMUJFWSA-N 1 0 382.302 2.544 20 0 GFADRO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)c1ccc(Br)c(F)c1 ZINC000068332708 551191462 /nfs/dbraw/zinc/19/14/62/551191462.db2.gz XYYXWHWPQMYENS-UHFFFAOYSA-N 1 0 386.309 2.686 20 0 GFADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000103449590 551197804 /nfs/dbraw/zinc/19/78/04/551197804.db2.gz GWKUYOCDABPEJD-UHFFFAOYSA-N 1 0 386.323 2.549 20 0 GFADRO C[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)N[C@@H](C)CN1CC[NH+](C)CC1 ZINC000106553681 551200556 /nfs/dbraw/zinc/20/05/56/551200556.db2.gz UTRREDZUKDZPRO-KGLIPLIRSA-N 1 0 387.355 2.860 20 0 GFADRO O=C(c1cccc(I)c1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000110317750 551203868 /nfs/dbraw/zinc/20/38/68/551203868.db2.gz OIEHEFSOVLACMR-HNNXBMFYSA-N 1 0 384.261 2.992 20 0 GFADRO C[C@@H](CNC(=O)c1cc(=O)c2cc(Br)ccc2[nH]1)C[NH+]1CCCC1 ZINC000112630468 551206798 /nfs/dbraw/zinc/20/67/98/551206798.db2.gz OEBAGRFJMASKCU-LBPRGKRZSA-N 1 0 392.297 2.752 20 0 GFADRO C[NH+](C)C1(CNC(=O)/C=C/c2cc(Br)ccc2F)CCOCC1 ZINC000114055213 551208688 /nfs/dbraw/zinc/20/86/88/551208688.db2.gz LTAWQVDTVWXUKF-ZZXKWVIFSA-N 1 0 385.277 2.828 20 0 GFADRO C[C@H]1CCCC[N@@H+]1CCNC(=O)Cc1ccccc1I ZINC000120359882 551219904 /nfs/dbraw/zinc/21/99/04/551219904.db2.gz ADWSQRNHXBWIFV-ZDUSSCGKSA-N 1 0 386.277 2.824 20 0 GFADRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NCc1cn2cc(Br)ccc2n1 ZINC000120351216 551220102 /nfs/dbraw/zinc/22/01/02/551220102.db2.gz BITYOLPRWIZOOE-WFASDCNBSA-N 1 0 394.317 2.578 20 0 GFADRO CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2cccc(C)c2Br)C1 ZINC000120980339 551224294 /nfs/dbraw/zinc/22/42/94/551224294.db2.gz HGQWGQQZIXCBST-ZDUSSCGKSA-N 1 0 382.302 2.544 20 0 GFADRO Cc1cccc(NC(=O)C(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)c1Br ZINC000121044003 551225545 /nfs/dbraw/zinc/22/55/45/551225545.db2.gz BJIWAPAGOVWWQA-AWEZNQCLSA-N 1 0 396.329 2.933 20 0 GFADRO O=C(c1cncc(I)c1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000121035456 551225943 /nfs/dbraw/zinc/22/59/43/551225943.db2.gz MHHGNRCBAFHPEK-UHFFFAOYSA-N 1 0 399.276 2.634 20 0 GFADRO CCN1CC[NH+](CCCCNC(=O)c2ccc(Br)c(C)c2)CC1 ZINC000121053738 551226332 /nfs/dbraw/zinc/22/63/32/551226332.db2.gz KTOBINLSOJMPIM-UHFFFAOYSA-N 1 0 382.346 2.905 20 0 GFADRO Cc1cccc(NC(=O)C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)c1Br ZINC000121123090 551227778 /nfs/dbraw/zinc/22/77/78/551227778.db2.gz GNMJPMNEIKTYJX-QWHCGFSZSA-N 1 0 382.302 2.685 20 0 GFADRO O=C(Nc1cc(Br)ccc1F)C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000121265385 551230857 /nfs/dbraw/zinc/23/08/57/551230857.db2.gz VMBCHQQIQKQTMM-UHFFFAOYSA-N 1 0 398.276 2.614 20 0 GFADRO CCO[C@H](CC[NH+](C)C)CNC(=O)Nc1ccc(OC)cc1Br ZINC000121466091 551234916 /nfs/dbraw/zinc/23/49/16/551234916.db2.gz GIAUSYBMSGZQFK-CYBMUJFWSA-N 1 0 388.306 2.936 20 0 GFADRO CCC[C@H]1CN(CC(=O)Nc2ccc(Br)cc2)CC[N@@H+]1CCOC ZINC000121860761 551244340 /nfs/dbraw/zinc/24/43/40/551244340.db2.gz PTTRUHLMRCAVNO-KRWDZBQOSA-N 1 0 398.345 2.820 20 0 GFADRO CSc1ccc(NC(=O)C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)cc1Cl ZINC000122212398 551295440 /nfs/dbraw/zinc/29/54/40/551295440.db2.gz JVGBBIYHRZBRND-IUODEOHRSA-N 1 0 381.929 2.943 20 0 GFADRO CC(C)[N@H+](C)CCNC(=O)c1cc(F)c(F)cc1I ZINC000122203420 551295493 /nfs/dbraw/zinc/29/54/93/551295493.db2.gz HXQSEZCHOXPBFF-UHFFFAOYSA-N 1 0 382.192 2.639 20 0 GFADRO C[NH+](C)Cc1ccc(CNC(=O)C(=O)Nc2cccc(Br)c2)cc1 ZINC000122205896 551295519 /nfs/dbraw/zinc/29/55/19/551295519.db2.gz CFDFEXVXVNQGSN-UHFFFAOYSA-N 1 0 390.281 2.766 20 0 GFADRO CC[NH+](CC)CCCNC(=O)c1ccc(OC)c(I)c1 ZINC000122269399 551296898 /nfs/dbraw/zinc/29/68/98/551296898.db2.gz SBGZGUIRPCVNIU-UHFFFAOYSA-N 1 0 390.265 2.762 20 0 GFADRO Cc1ccc(NC(=O)C(=O)NC[C@H](CC(C)C)[NH+](C)C)cc1Br ZINC000123290697 551304479 /nfs/dbraw/zinc/30/44/79/551304479.db2.gz YANNQWYRSOIUBL-AWEZNQCLSA-N 1 0 384.318 2.789 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000123282758 551304727 /nfs/dbraw/zinc/30/47/27/551304727.db2.gz RWUNNTNGTIZETD-AWEZNQCLSA-N 1 0 394.313 2.640 20 0 GFADRO Cc1ccc(NC(=O)C(=O)NC[C@@H](CC(C)C)[NH+](C)C)cc1Br ZINC000123290449 551304734 /nfs/dbraw/zinc/30/47/34/551304734.db2.gz YANNQWYRSOIUBL-CQSZACIVSA-N 1 0 384.318 2.789 20 0 GFADRO Cc1ccc(Br)c(NC(=O)C(=O)NCC[N@H+]2CCC[C@H](C)C2)c1 ZINC000123384533 551305879 /nfs/dbraw/zinc/30/58/79/551305879.db2.gz GOWCZJXQCLEHCU-ZDUSSCGKSA-N 1 0 382.302 2.544 20 0 GFADRO Cc1cnc(NC(=O)C(=O)NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)s1 ZINC000123826939 551308786 /nfs/dbraw/zinc/30/87/86/551308786.db2.gz PUCORUFCPFKILG-OCCSQVGLSA-N 1 0 378.523 2.651 20 0 GFADRO CC[C@@H](C)[NH+]1CCN(C(=O)c2csc(I)c2)CC1 ZINC000124111234 551310574 /nfs/dbraw/zinc/31/05/74/551310574.db2.gz OXVWGKMLAYXSSX-SNVBAGLBSA-N 1 0 378.279 2.909 20 0 GFADRO CN(CC[NH+]1CCCC1)C(=O)C(=O)Nc1ccc(Br)cc1Cl ZINC000124370851 551313965 /nfs/dbraw/zinc/31/39/65/551313965.db2.gz CZSIFUZWLDYUNX-UHFFFAOYSA-N 1 0 388.693 2.595 20 0 GFADRO CC[NH+]1CCN(CCCNC(=O)c2cc3c(cccc3Br)[nH]2)CC1 ZINC000124581769 551315903 /nfs/dbraw/zinc/31/59/03/551315903.db2.gz YADVDRLJQXZFCQ-UHFFFAOYSA-N 1 0 393.329 2.688 20 0 GFADRO O=C1C[C@@H]([C@@H]2CCCC[N@H+]2Cc2nnc(-c3ccc(Br)o3)o2)CN1 ZINC000125722041 551323638 /nfs/dbraw/zinc/32/36/38/551323638.db2.gz XGKROLIABPQMDQ-MNOVXSKESA-N 1 0 395.257 2.583 20 0 GFADRO O=C(NCc1ccc(O)c(Br)c1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000126279821 551327367 /nfs/dbraw/zinc/32/73/67/551327367.db2.gz AOFDXQWMASTRSZ-CQSZACIVSA-N 1 0 382.302 2.925 20 0 GFADRO O=C(Nc1cncc(Br)c1)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000126384479 551328925 /nfs/dbraw/zinc/32/89/25/551328925.db2.gz PTXOMCBOVJETTH-UHFFFAOYSA-N 1 0 397.317 2.953 20 0 GFADRO O=S1(=O)CCC[C@@H]1C[NH2+]Cc1cc(Br)ccc1OC(F)F ZINC000126719647 551332038 /nfs/dbraw/zinc/33/20/38/551332038.db2.gz SJAKUQXGHGZTRV-LLVKDONJSA-N 1 0 384.242 2.717 20 0 GFADRO CC[NH+]1CCN(c2ccccc2NC(=O)NC[C@H]2CSCCS2)CC1 ZINC000126886975 551333663 /nfs/dbraw/zinc/33/36/63/551333663.db2.gz NKUBIDSOSXAHPT-HNNXBMFYSA-N 1 0 380.583 2.799 20 0 GFADRO C[NH+](C)C[C@@H]1CCN(C(=O)Nc2ccc(F)cc2I)C1 ZINC000127123118 551336592 /nfs/dbraw/zinc/33/65/92/551336592.db2.gz PCIPKNIJPJWPPW-JTQLQIEISA-N 1 0 391.228 2.846 20 0 GFADRO C[C@@H]([NH2+]CCc1ccc(S(=O)(=O)N2CCCCC2)s1)c1cnn(C)c1 ZINC000127170802 551337826 /nfs/dbraw/zinc/33/78/26/551337826.db2.gz UBDMYGJFQBIPRL-CQSZACIVSA-N 1 0 382.555 2.550 20 0 GFADRO COc1cc([C@H](C)[NH2+]CC[S@](=O)C(C)(C)C)ccc1S(=O)(=O)C(F)F ZINC000127443030 551341059 /nfs/dbraw/zinc/34/10/59/551341059.db2.gz ZPRBVWVVWNYSIJ-APXPCNQMSA-N 1 0 397.509 2.889 20 0 GFADRO C[C@H]1C[C@@H](NC(=O)N2CCN(Cc3ccc(Cl)s3)CC2)C[N@@H+]1C1CC1 ZINC000127628559 551342421 /nfs/dbraw/zinc/34/24/21/551342421.db2.gz DNUGHSPUOGXTEM-UONOGXRCSA-N 1 0 382.961 2.854 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccnc(Cl)c1I ZINC000128092440 551346581 /nfs/dbraw/zinc/34/65/81/551346581.db2.gz ITUNQVVQASQYFX-VIFPVBQESA-N 1 0 393.656 2.554 20 0 GFADRO C[NH2+][C@@H]1CCCN(C(=O)Nc2cc(OC)ccc2I)C1 ZINC000415070198 563757557 /nfs/dbraw/zinc/75/75/57/563757557.db2.gz ICKYLMARWZEWAX-SNVBAGLBSA-N 1 0 389.237 2.516 20 0 GFADRO Cc1ccc(Br)c(NC(=O)C(=O)NC[C@H](C)C[NH+]2CCCCC2)c1 ZINC000130354699 551363830 /nfs/dbraw/zinc/36/38/30/551363830.db2.gz DVDNNPHLHKPKHA-AWEZNQCLSA-N 1 0 396.329 2.934 20 0 GFADRO CC[N@H+](CC(=O)N[C@H](CC(=O)OC)c1ccc(Br)cc1)C1CC1 ZINC000130786331 551369062 /nfs/dbraw/zinc/36/90/62/551369062.db2.gz UTDKNNVINHVXEZ-OAHLLOKOSA-N 1 0 383.286 2.654 20 0 GFADRO Cc1cc(S(=O)(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)sc1Br ZINC000130807861 551369144 /nfs/dbraw/zinc/36/91/44/551369144.db2.gz VLNLFWICDOXQDE-AXFHLTTASA-N 1 0 379.345 2.567 20 0 GFADRO COc1ccc(C[NH2+]C[C@H](O)COc2ccccc2Br)c(OC)c1 ZINC000131050919 551371594 /nfs/dbraw/zinc/37/15/94/551371594.db2.gz GBJZFRRKEZXPJU-AWEZNQCLSA-N 1 0 396.281 2.996 20 0 GFADRO Cc1c(Br)cccc1C[N@@H+]1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000131055101 551372042 /nfs/dbraw/zinc/37/20/42/551372042.db2.gz OJRKFLAUTOSXBC-MRXNPFEDSA-N 1 0 381.314 2.828 20 0 GFADRO O=C(c1cc(I)c[nH]1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000131306952 551373824 /nfs/dbraw/zinc/37/38/24/551373824.db2.gz MVEALHBBUWWYRD-ZDUSSCGKSA-N 1 0 387.265 2.710 20 0 GFADRO C[NH+](C)CCOc1ccc(CNS(=O)(=O)c2c(F)cccc2Cl)cc1 ZINC000131279697 551373846 /nfs/dbraw/zinc/37/38/46/551373846.db2.gz UKTQWYIVCPEFGQ-UHFFFAOYSA-N 1 0 386.876 2.898 20 0 GFADRO NC(=O)c1csc(C[NH2+][C@@H]2CCN(c3ccc(Br)cc3)C2)c1 ZINC000132129438 551377305 /nfs/dbraw/zinc/37/73/05/551377305.db2.gz BWIBPVTUJCXEJB-CYBMUJFWSA-N 1 0 380.311 2.978 20 0 GFADRO CC[C@]1(C(=O)N2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)CCC[NH2+]1 ZINC000134397917 551385069 /nfs/dbraw/zinc/38/50/69/551385069.db2.gz AFPHJVYLBPUTNW-GOSISDBHSA-N 1 0 384.307 2.810 20 0 GFADRO C[N@@H+]1CCC[C@@H]1CNC(=O)N1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000139803911 551392757 /nfs/dbraw/zinc/39/27/57/551392757.db2.gz YBTOEFNOTIBPTB-CVEARBPZSA-N 1 0 382.302 2.626 20 0 GFADRO [NH3+]CC1(C(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)CCCC1 ZINC000150711353 551400325 /nfs/dbraw/zinc/40/03/25/551400325.db2.gz XRTHKPZNKNMEBM-UHFFFAOYSA-N 1 0 385.917 2.582 20 0 GFADRO CC(=O)N[C@H](CC(=O)N(C)[C@H]1CCC[N@H+](C)C1)c1ccc(Br)cc1 ZINC000151198284 551408956 /nfs/dbraw/zinc/40/89/56/551408956.db2.gz NHSOCOIBSORCIL-DLBZAZTESA-N 1 0 396.329 2.569 20 0 GFADRO O=S(=O)(C1CC1)N1CCC([NH2+]Cc2cnc(-c3ccsc3)s2)CC1 ZINC000151265828 551410483 /nfs/dbraw/zinc/41/04/83/551410483.db2.gz IUKIEHKJCVRWHP-UHFFFAOYSA-N 1 0 383.564 2.918 20 0 GFADRO O=C(Cc1cc(Br)ccc1F)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000151441322 551413735 /nfs/dbraw/zinc/41/37/35/551413735.db2.gz BJPULQDXVPMXGB-CYBMUJFWSA-N 1 0 399.304 2.748 20 0 GFADRO CC(=O)Nc1ccc(S(=O)(=O)NC2CCC(C[NH+](C)C)CC2)cc1Cl ZINC000151728959 551419927 /nfs/dbraw/zinc/41/99/27/551419927.db2.gz QEHGBDOAXLASSR-UHFFFAOYSA-N 1 0 387.933 2.697 20 0 GFADRO Cc1cc(NC(=O)C[NH2+]C[C@H]2CCCO2)n(-c2cccc(Br)c2)n1 ZINC000151872528 551422549 /nfs/dbraw/zinc/42/25/49/551422549.db2.gz AWISYNAJFNWOOZ-OAHLLOKOSA-N 1 0 393.285 2.650 20 0 GFADRO O=C(Cc1ccccc1I)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000152040971 551425520 /nfs/dbraw/zinc/42/55/20/551425520.db2.gz ARTAAYYKNQPTBH-CQSZACIVSA-N 1 0 398.288 2.778 20 0 GFADRO CN(Cc1cc(Br)cs1)C(=O)C[N@H+](C)CC1(O)CCCC1 ZINC000152048345 551425570 /nfs/dbraw/zinc/42/55/70/551425570.db2.gz ITDWVJNXBHQVJV-UHFFFAOYSA-N 1 0 375.332 2.706 20 0 GFADRO CC[C@](C)(CO)[NH2+]Cc1cc(I)c(OC)c(OC)c1 ZINC000152159083 551427663 /nfs/dbraw/zinc/42/76/63/551427663.db2.gz RMQGJWMYJLNFEQ-CQSZACIVSA-N 1 0 379.238 2.559 20 0 GFADRO C[C@@H](Cn1cc(Br)cn1)[NH2+]C1CCN(CCc2ccncc2)CC1 ZINC000152851722 551441261 /nfs/dbraw/zinc/44/12/61/551441261.db2.gz WKWAIOYOJGQDMS-HNNXBMFYSA-N 1 0 392.345 2.726 20 0 GFADRO Cc1c2ccc(C(F)(F)F)nc2sc1C(=O)NC[C@](C)(O)C[NH+](C)C ZINC000152878837 551441904 /nfs/dbraw/zinc/44/19/04/551441904.db2.gz GWWPHQLDUDGQDR-HNNXBMFYSA-N 1 0 375.416 2.666 20 0 GFADRO C[NH+]1CCC(Oc2ccc(NC(=O)c3ccncc3Br)cn2)CC1 ZINC000153006221 551444813 /nfs/dbraw/zinc/44/48/13/551444813.db2.gz VRRYOMSUTWIFTO-UHFFFAOYSA-N 1 0 391.269 2.964 20 0 GFADRO Cc1nc(CSc2ccccc2C(=O)NC[C@](C)(O)C[NH+](C)C)cs1 ZINC000153167618 551447115 /nfs/dbraw/zinc/44/71/15/551447115.db2.gz NWNMYUYTDNQCOF-SFHVURJKSA-N 1 0 379.551 2.786 20 0 GFADRO COC1CC[NH+](CCNC(=O)Cc2cc(Cl)ccc2Br)CC1 ZINC000153920448 551463045 /nfs/dbraw/zinc/46/30/45/551463045.db2.gz ACHRAZQMJKRTMZ-UHFFFAOYSA-N 1 0 389.721 2.872 20 0 GFADRO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)Cc1cc2c(cc1Br)OCCO2 ZINC000154050594 551466547 /nfs/dbraw/zinc/46/65/47/551466547.db2.gz IFCABIPUCZZMNW-HNNXBMFYSA-N 1 0 397.313 2.561 20 0 GFADRO C[C@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH2+]C[C@H](O)CN(C)C ZINC000154345360 551473062 /nfs/dbraw/zinc/47/30/62/551473062.db2.gz JDYTUCUMVQKHLX-PWSUYJOCSA-N 1 0 381.826 2.588 20 0 GFADRO CN(CC1CC[NH+](C)CC1)S(=O)(=O)c1ccc(Br)cc1F ZINC000154527412 551477151 /nfs/dbraw/zinc/47/71/51/551477151.db2.gz ORJADGAUTMTABQ-UHFFFAOYSA-N 1 0 379.295 2.551 20 0 GFADRO CCN(CC)S(=O)(=O)CC[NH2+][C@H](C)c1ccc(F)c(Br)c1 ZINC000154753905 551482232 /nfs/dbraw/zinc/48/22/32/551482232.db2.gz OSBMWSBMMWFSST-LLVKDONJSA-N 1 0 381.311 2.910 20 0 GFADRO CCN(CC)S(=O)(=O)CC[NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000154791247 551482701 /nfs/dbraw/zinc/48/27/01/551482701.db2.gz YCIQLJRPWDRSNM-UHFFFAOYSA-N 1 0 387.977 2.566 20 0 GFADRO CCOc1cc(Br)ccc1NC(=O)N(CCOC)CC[NH+](C)C ZINC000154943187 551486267 /nfs/dbraw/zinc/48/62/67/551486267.db2.gz NYACBICPWQHEHS-UHFFFAOYSA-N 1 0 388.306 2.890 20 0 GFADRO C[NH+]1CCC(NC(=O)C(=O)Nc2ccc3cc(Br)ccc3c2)CC1 ZINC000155086901 551491232 /nfs/dbraw/zinc/49/12/32/551491232.db2.gz GEPZDEAWISHJGX-UHFFFAOYSA-N 1 0 390.281 2.751 20 0 GFADRO C[N@@H+]1CCC[C@H](CNC(=O)CNCC(F)(F)F)[C@@H]1c1cccc(Cl)c1 ZINC000155198697 551494259 /nfs/dbraw/zinc/49/42/59/551494259.db2.gz NBLNHRFHDFYDBX-CJNGLKHVSA-N 1 0 377.838 2.991 20 0 GFADRO CSC[C@@](C)(O)CNC(=O)NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000155288464 551496663 /nfs/dbraw/zinc/49/66/63/551496663.db2.gz CIJRXVAEXANOQT-YJBOKZPZSA-N 1 0 385.599 2.934 20 0 GFADRO CSC[C@](C)(O)CNC(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000155288796 551496709 /nfs/dbraw/zinc/49/67/09/551496709.db2.gz CIJRXVAEXANOQT-CRAIPNDOSA-N 1 0 385.599 2.934 20 0 GFADRO Cc1ccc(Br)c(C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)c1 ZINC000155529896 551501978 /nfs/dbraw/zinc/50/19/78/551501978.db2.gz DFZYTMHLQRHLNU-AWEZNQCLSA-N 1 0 381.314 2.988 20 0 GFADRO CC(C)C[C@@H](C[NH3+])NC(=O)c1cc(S(=O)(=O)NC(C)(C)C)ccc1Cl ZINC000155578663 551502895 /nfs/dbraw/zinc/50/28/95/551502895.db2.gz AGPPVFMJMZICMT-LBPRGKRZSA-N 1 0 389.949 2.520 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(Cl)c(Br)c1 ZINC000155586803 551503427 /nfs/dbraw/zinc/50/34/27/551503427.db2.gz SFRBUBYVUXGUCM-NSHDSACASA-N 1 0 388.693 2.642 20 0 GFADRO Ic1ccc2c(c1)[C@@H]([NH2+]CCn1ccnc1)CCCO2 ZINC000155695396 551505673 /nfs/dbraw/zinc/50/56/73/551505673.db2.gz RMJIXCYSMVSNAY-AWEZNQCLSA-N 1 0 383.233 2.991 20 0 GFADRO C[N@@H+](CC(=O)Nc1ccccc1I)CC1CCOCC1 ZINC000155974358 551512172 /nfs/dbraw/zinc/51/21/72/551512172.db2.gz NQBSAXHVQWFLEM-UHFFFAOYSA-N 1 0 388.249 2.588 20 0 GFADRO COC(=O)Cn1cc(CC[N@@H+]2CCC[C@H]2c2cccc(Br)c2)nn1 ZINC000156246944 551518026 /nfs/dbraw/zinc/51/80/26/551518026.db2.gz BHMBFMSKPARLGS-INIZCTEOSA-N 1 0 393.285 2.593 20 0 GFADRO Cn1ncc2c1CCC[C@H]2[NH2+]CCCNC(=O)c1ccc(Br)cc1 ZINC000156427126 551522620 /nfs/dbraw/zinc/52/26/20/551522620.db2.gz BECPDTPWCIBKMU-MRXNPFEDSA-N 1 0 391.313 2.970 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)c2c(F)cccc2I)C1 ZINC000156589260 551525758 /nfs/dbraw/zinc/52/57/58/551525758.db2.gz AIRXJKWUMGSFTM-UWVGGRQHSA-N 1 0 376.213 2.630 20 0 GFADRO CC[NH+]1CCN([C@@H]2CCN(c3ccnc4cc(Br)cnc43)C2)CC1 ZINC000157469387 551538366 /nfs/dbraw/zinc/53/83/66/551538366.db2.gz SIBOISKAENPSNR-OAHLLOKOSA-N 1 0 390.329 2.609 20 0 GFADRO CC(C)OC(=O)CC[NH+]1CCC(C(=O)Nc2ccc(Br)cn2)CC1 ZINC000157724822 551541453 /nfs/dbraw/zinc/54/14/53/551541453.db2.gz WFWXAQFIZAYJHA-UHFFFAOYSA-N 1 0 398.301 2.836 20 0 GFADRO Cc1ccc(NC(=O)C(=O)NC2CCC(C[NH+](C)C)CC2)c(Br)c1 ZINC000158022828 551546165 /nfs/dbraw/zinc/54/61/65/551546165.db2.gz AYTUCENLUDKKGF-UHFFFAOYSA-N 1 0 396.329 2.933 20 0 GFADRO CCO[C@H](CC[NH+](C)C)CNC(=O)Cc1c[nH]c2cccc(Br)c12 ZINC000158174901 551547952 /nfs/dbraw/zinc/54/79/52/551547952.db2.gz BHXMGFMHRGDTHA-CQSZACIVSA-N 1 0 396.329 2.946 20 0 GFADRO COc1c(Br)cc(Br)cc1C[NH2+][C@@H](C)CC(N)=O ZINC000158185797 551548053 /nfs/dbraw/zinc/54/80/53/551548053.db2.gz YQXYLRTWQLQXJE-ZETCQYMHSA-N 1 0 380.080 2.574 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CNC(=O)N(CC[NH+](C)C)C(C)C ZINC000158247224 551549190 /nfs/dbraw/zinc/54/91/90/551549190.db2.gz DXHOEPVRJVJYKZ-UHFFFAOYSA-N 1 0 399.333 2.678 20 0 GFADRO CCCNC(=O)C[NH2+][C@@H]1CCCOc2ccc(I)cc21 ZINC000158332375 551550694 /nfs/dbraw/zinc/55/06/94/551550694.db2.gz GHDHNYKFRZSHKA-CYBMUJFWSA-N 1 0 388.249 2.621 20 0 GFADRO CC(C)[C@@H](CNC(=O)[C@@H](C)c1ccc(Br)cc1)[NH+]1CCN(C)CC1 ZINC000158557484 551553832 /nfs/dbraw/zinc/55/38/32/551553832.db2.gz IKHPUFGUTBYXGA-MAUKXSAKSA-N 1 0 396.373 2.941 20 0 GFADRO Cc1c(C(=O)N2CC[C@]3(CC[NH2+]C3)C2)cnn1-c1ccc(Br)cc1 ZINC000158992732 551559480 /nfs/dbraw/zinc/55/94/80/551559480.db2.gz IDCUOASRFSNQFT-SFHVURJKSA-N 1 0 389.297 2.769 20 0 GFADRO C[NH+](C)CCn1cc(NC(=O)Cc2c[nH]c3cc(Br)ccc23)cn1 ZINC000159114948 551560661 /nfs/dbraw/zinc/56/06/61/551560661.db2.gz WZEHXGOWFDLHDQ-UHFFFAOYSA-N 1 0 390.285 2.870 20 0 GFADRO C[NH2+]C[C@H]1CCCN(C(=O)c2ccc(I)c(F)c2)C1 ZINC000159073227 551560982 /nfs/dbraw/zinc/56/09/82/551560982.db2.gz PPPYBDJESVAOTL-SNVBAGLBSA-N 1 0 376.213 2.502 20 0 GFADRO C[NH2+]C[C@@H]1CCCN(C(=O)c2[nH]nc(-c3ccccc3)c2Br)C1 ZINC000159098709 551561054 /nfs/dbraw/zinc/56/10/54/551561054.db2.gz LFUYGCDNEQGUMU-LBPRGKRZSA-N 1 0 377.286 2.911 20 0 GFADRO O=S(=O)(Cc1ccc(Cl)c(Cl)c1)NCCCC[N@H+]1CCC[C@H]1CO ZINC000161742183 551598244 /nfs/dbraw/zinc/59/82/44/551598244.db2.gz YVIPDTZCIKWVHB-AWEZNQCLSA-N 1 0 395.352 2.650 20 0 GFADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)c1ccc2cc(Br)ccc2c1 ZINC000161775593 551598533 /nfs/dbraw/zinc/59/85/33/551598533.db2.gz IRXZSGZCEFNONS-CQSZACIVSA-N 1 0 390.325 2.968 20 0 GFADRO CSCC[C@@H]([NH3+])C(=O)Nc1ccc(CCn2cc(Br)cn2)cc1 ZINC000161802794 551599117 /nfs/dbraw/zinc/59/91/17/551599117.db2.gz KXNGAJRJZGWZDD-OAHLLOKOSA-N 1 0 397.342 2.907 20 0 GFADRO NC(=O)[C@@H]([NH2+]CCc1ccc(-n2cccn2)cc1)c1cccc(Br)c1 ZINC000161868729 551599370 /nfs/dbraw/zinc/59/93/70/551599370.db2.gz HNSGXZHZLVWEGH-SFHVURJKSA-N 1 0 399.292 2.994 20 0 GFADRO Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+]CCNS(=O)(=O)Cc1ccon1 ZINC000162405891 551607921 /nfs/dbraw/zinc/60/79/21/551607921.db2.gz ZMUGDCFZICHBAH-NSHDSACASA-N 1 0 386.543 2.507 20 0 GFADRO C[C@@H]1CN(C(=O)Nc2ccc(F)cc2I)C[C@@]1(C)C[NH3+] ZINC000415248652 563763729 /nfs/dbraw/zinc/76/37/29/563763729.db2.gz HNBNJOISIPGDAR-YMTOWFKASA-N 1 0 391.228 2.879 20 0 GFADRO C[C@H](NC(=O)[C@@H]1CCC[C@@H]1[NH3+])c1nc(-c2ccc(Br)cc2)no1 ZINC000163131117 551617000 /nfs/dbraw/zinc/61/70/00/551617000.db2.gz NPHIPQIOIPAMMU-BIMULSAOSA-N 1 0 379.258 2.804 20 0 GFADRO CCc1nn(C)c(CC)c1C[NH2+]C[C@@H](O)COc1ccccc1Br ZINC000163303440 551618296 /nfs/dbraw/zinc/61/82/96/551618296.db2.gz VZXNEORPZDVVOD-CYBMUJFWSA-N 1 0 396.329 2.837 20 0 GFADRO O=C(CSc1cccc(Br)c1)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000163697297 551621785 /nfs/dbraw/zinc/62/17/85/551621785.db2.gz LHCNZZHBWOXCRR-AWEZNQCLSA-N 1 0 399.354 2.722 20 0 GFADRO C[C@H](Cn1cc(Br)cn1)[NH2+][C@H](CN1CCOCC1)c1ccccc1 ZINC000163710120 551621971 /nfs/dbraw/zinc/62/19/71/551621971.db2.gz ZEHBZUHKBDIZCH-CRAIPNDOSA-N 1 0 393.329 2.697 20 0 GFADRO C[NH2+][C@@H]1CCCN(C(=O)Nc2ccc(F)cc2I)C1 ZINC000415256556 563763975 /nfs/dbraw/zinc/76/39/75/563763975.db2.gz XHNBGOHZMBNMKT-SNVBAGLBSA-N 1 0 377.201 2.646 20 0 GFADRO C[NH+](C)C[C@@H](O)COc1ccc(NC(=O)c2coc(Br)c2)cc1 ZINC000164831246 551627786 /nfs/dbraw/zinc/62/77/86/551627786.db2.gz RJEMGEHIFYCOKQ-CYBMUJFWSA-N 1 0 383.242 2.596 20 0 GFADRO C[C@H](CCNC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)[S@@](C)=O ZINC000166623506 551632618 /nfs/dbraw/zinc/63/26/18/551632618.db2.gz AKBPTCIGOUSBEV-PWECECGKSA-N 1 0 385.961 2.761 20 0 GFADRO O=S(=O)(N1CCC([NH2+][C@H]2CSCCc3ccccc32)CC1)C(F)(F)F ZINC000168096087 551634008 /nfs/dbraw/zinc/63/40/08/551634008.db2.gz BLPBNZLNPFEFNB-HNNXBMFYSA-N 1 0 394.484 2.921 20 0 GFADRO O=S(=O)(N1CCC([NH2+][C@H]2CCCOc3ccccc32)CC1)C(F)(F)F ZINC000168087178 551634028 /nfs/dbraw/zinc/63/40/28/551634028.db2.gz WKEGCDHWTWARRX-AWEZNQCLSA-N 1 0 378.416 2.804 20 0 GFADRO O=S(=O)(N1CCC([NH2+][C@H](Cc2ccccc2)C2CC2)CC1)C(F)(F)F ZINC000168058531 551634159 /nfs/dbraw/zinc/63/41/59/551634159.db2.gz AIUNOFUUCIVULH-MRXNPFEDSA-N 1 0 376.444 2.911 20 0 GFADRO Cc1c(Br)cccc1NC(=O)C(=O)NC[C@H](C)[NH+]1CCC(C)CC1 ZINC000170705880 551638033 /nfs/dbraw/zinc/63/80/33/551638033.db2.gz OCNBXDOMNLIISD-ZDUSSCGKSA-N 1 0 396.329 2.933 20 0 GFADRO C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000170742786 551638650 /nfs/dbraw/zinc/63/86/50/551638650.db2.gz IWTXDHWUIOBBQT-QAPCUYQASA-N 1 0 394.357 2.966 20 0 GFADRO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[N@@H+]1CCC[C@@H](CCC(N)=O)C1 ZINC000170732558 551638964 /nfs/dbraw/zinc/63/89/64/551638964.db2.gz GECRFWLLCLXQDU-ZDUSSCGKSA-N 1 0 386.323 2.929 20 0 GFADRO COc1ccc(CC[NH2+][C@H](C(N)=O)c2ccc(Br)cc2)cc1F ZINC000171759044 551662453 /nfs/dbraw/zinc/66/24/53/551662453.db2.gz XROXMMAPYDNJTQ-INIZCTEOSA-N 1 0 381.245 2.956 20 0 GFADRO O=C(NC1CC[NH+](CC2CC2)CC1)c1[nH]nc2ccc(Br)cc21 ZINC000171964820 551667837 /nfs/dbraw/zinc/66/78/37/551667837.db2.gz BUYFUCAPXLEGCH-UHFFFAOYSA-N 1 0 377.286 2.930 20 0 GFADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)Cc2ccc(Br)s2)C1 ZINC000172159666 551671734 /nfs/dbraw/zinc/67/17/34/551671734.db2.gz LYZWHWQDDSQTMQ-GFCCVEGCSA-N 1 0 375.332 2.526 20 0 GFADRO O=C(NCCC[NH+]1CCCC1)c1cc(=O)[nH]c2ccc(Br)cc21 ZINC000172327015 551676696 /nfs/dbraw/zinc/67/66/96/551676696.db2.gz NRADNEMIJIESCD-UHFFFAOYSA-N 1 0 378.270 2.506 20 0 GFADRO CN(C)c1ccccc1C[NH+]1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000172692057 551685372 /nfs/dbraw/zinc/68/53/72/551685372.db2.gz ZHOWTOKVXNDGOY-UHFFFAOYSA-N 1 0 379.551 2.757 20 0 GFADRO C[N@@H+]1CCC[C@@H](CNc2ncnc3ccc(I)cc32)C1 ZINC000172758634 551686243 /nfs/dbraw/zinc/68/62/43/551686243.db2.gz WAFIZNADMCDYHE-NSHDSACASA-N 1 0 382.249 2.988 20 0 GFADRO C[C@H](Cn1cc(Br)cn1)[NH2+]Cc1ccncc1OCC(F)F ZINC000442863981 563781985 /nfs/dbraw/zinc/78/19/85/563781985.db2.gz BGPPAXDMBPHGEZ-SNVBAGLBSA-N 1 0 375.217 2.863 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2cccc(OC(F)(F)F)c2)[C@H](C)C1 ZINC000173258239 552081258 /nfs/dbraw/zinc/08/12/58/552081258.db2.gz ZLYHUPMUXGUABY-DOMZBBRYSA-N 1 0 380.432 2.936 20 0 GFADRO O=C(c1c[nH]c(=O)c(Br)c1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000173514685 552087037 /nfs/dbraw/zinc/08/70/37/552087037.db2.gz BQQUBMHPKDCSDV-CQSZACIVSA-N 1 0 396.329 2.866 20 0 GFADRO CN(CC[C@H]1CCCC[N@@H+]1C)S(=O)(=O)c1cc2c(cc1Cl)OCCO2 ZINC000173671708 552090817 /nfs/dbraw/zinc/09/08/17/552090817.db2.gz ZYZPJESQBPGBKC-CYBMUJFWSA-N 1 0 388.917 2.606 20 0 GFADRO O=C([C@@H]1C[C@H]1c1ccc(Br)cc1)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000174165260 552101405 /nfs/dbraw/zinc/10/14/05/552101405.db2.gz KFMRVTWIWMCFBK-FHLIZLRMSA-N 1 0 393.325 2.733 20 0 GFADRO C[C@H](Oc1cccc(Cl)c1Cl)C(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000174210402 552102155 /nfs/dbraw/zinc/10/21/55/552102155.db2.gz CVORZKRKOPSRRB-KBPBESRZSA-N 1 0 387.307 2.941 20 0 GFADRO CCS[C@H]1CC[C@@H]([N@H+](C)CCOc2ccc(S(=O)(=O)N(C)C)cc2)C1 ZINC000174350654 552103114 /nfs/dbraw/zinc/10/31/14/552103114.db2.gz UOYOLPKZENAPLN-WBVHZDCISA-N 1 0 386.583 2.922 20 0 GFADRO C[NH+]1CCC(C(=O)Nc2ccnn2Cc2ccc(Br)cc2)CC1 ZINC000174524945 552105853 /nfs/dbraw/zinc/10/58/53/552105853.db2.gz FKYSFIWNMRZQQM-UHFFFAOYSA-N 1 0 377.286 2.974 20 0 GFADRO CC[C@@H]1CN(C(=O)[C@@H](C)Oc2ccccc2Br)CC[N@@H+]1C[C@@H](C)O ZINC000174610742 552106739 /nfs/dbraw/zinc/10/67/39/552106739.db2.gz BCILWEOTGWJLLN-RBSFLKMASA-N 1 0 399.329 2.520 20 0 GFADRO C[N@H+]1[C@@H]2CC[C@H]1CCN(C(=O)c1ccc(F)cc1I)C2 ZINC000174639047 552107412 /nfs/dbraw/zinc/10/74/12/552107412.db2.gz NTNHYTQALCXHEB-NWDGAFQWSA-N 1 0 388.224 2.739 20 0 GFADRO CN1CCO[C@@H](C(=O)N(CCC[NH+](C)C)Cc2ccc(Cl)c(Cl)c2)C1 ZINC000174762488 552109844 /nfs/dbraw/zinc/10/98/44/552109844.db2.gz SHVXDRFLXOKKSO-QGZVFWFLSA-N 1 0 388.339 2.604 20 0 GFADRO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CNC(=O)c1ccc(Cl)c(Cl)c1 ZINC000174964566 552112994 /nfs/dbraw/zinc/11/29/94/552112994.db2.gz AOVHEPGWQLKMMO-UONOGXRCSA-N 1 0 384.307 2.808 20 0 GFADRO CNC(=O)CC1CC[NH+](C[C@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000175025460 552114281 /nfs/dbraw/zinc/11/42/81/552114281.db2.gz YWWRMMBGQBKQKO-AWEZNQCLSA-N 1 0 375.296 2.581 20 0 GFADRO COc1ccc(S(=O)(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)cc1Br ZINC000175075308 552115193 /nfs/dbraw/zinc/11/51/93/552115193.db2.gz AZWKDHQGBNKEPT-VXGBXAGGSA-N 1 0 391.331 2.609 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@@H](NS(=O)(=O)c2ccc(F)c(Br)c2)C1 ZINC000175080179 552115496 /nfs/dbraw/zinc/11/54/96/552115496.db2.gz MMHZLGQSRACJNP-GHMZBOCLSA-N 1 0 379.295 2.739 20 0 GFADRO NC(=O)C[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc(Br)cc2F)C1 ZINC000175235378 552118591 /nfs/dbraw/zinc/11/85/91/552118591.db2.gz IJTGIVLGPKKDCM-NSHDSACASA-N 1 0 386.265 2.504 20 0 GFADRO O=C(NC1CC[NH+](Cc2cccnc2)CC1)c1ccc(Br)cn1 ZINC000175670085 552126435 /nfs/dbraw/zinc/12/64/35/552126435.db2.gz NECNFIVSVNROOB-UHFFFAOYSA-N 1 0 375.270 2.634 20 0 GFADRO COCCC[N@H+](C)CCNC(=O)NC1(c2cccc(Br)c2)CC1 ZINC000175740641 552128113 /nfs/dbraw/zinc/12/81/13/552128113.db2.gz MGBASVISQUXKJQ-UHFFFAOYSA-N 1 0 384.318 2.706 20 0 GFADRO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NCc1sccc1Br ZINC000175787682 552129444 /nfs/dbraw/zinc/12/94/44/552129444.db2.gz HTVNHYBKNUSLAB-AWEZNQCLSA-N 1 0 375.332 2.920 20 0 GFADRO C[C@@H]1C[C@H](N(C)C(=O)Nc2cccc(S(=O)(=O)C(F)F)c2)CC[N@@H+]1C ZINC000175999206 552133831 /nfs/dbraw/zinc/13/38/31/552133831.db2.gz FXECTVDJUSYPKL-DGCLKSJQSA-N 1 0 375.441 2.629 20 0 GFADRO CCn1cc(Br)cc1C(=O)N1CCCC[C@H]([NH+]2CCN(C)CC2)C1 ZINC000175998379 552133852 /nfs/dbraw/zinc/13/38/52/552133852.db2.gz UIPZVKRTKLWIAW-INIZCTEOSA-N 1 0 397.361 2.513 20 0 GFADRO CN(CC1CC[NH+](C)CC1)C(=O)C(=O)Nc1nc(-c2cccs2)cs1 ZINC000176002695 552134430 /nfs/dbraw/zinc/13/44/30/552134430.db2.gz PAQZMUDGFDUNML-UHFFFAOYSA-N 1 0 378.523 2.610 20 0 GFADRO CC[C@@H](C)[N@H+](C)CCNC(=O)c1cc(=O)[nH]c2c(Br)cccc12 ZINC000176110513 552135858 /nfs/dbraw/zinc/13/58/58/552135858.db2.gz LMUVTGXOBOWYNA-LLVKDONJSA-N 1 0 380.286 2.751 20 0 GFADRO O=C(Nc1ccc(Br)cc1)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000176372612 552140021 /nfs/dbraw/zinc/14/00/21/552140021.db2.gz PBZHDGMTYQTBQQ-UHFFFAOYSA-N 1 0 394.313 2.911 20 0 GFADRO CC[NH+]1CCN([C@@H](C)CNC(=O)CCc2ccc(Br)cc2)CC1 ZINC000176378470 552140031 /nfs/dbraw/zinc/14/00/31/552140031.db2.gz NFETVROBVCNVMQ-HNNXBMFYSA-N 1 0 382.346 2.524 20 0 GFADRO C[C@@H]1C[C@@H](N(C)C(=O)c2cc(=O)[nH]c3c(Br)cccc23)CC[N@@H+]1C ZINC000177012304 552149619 /nfs/dbraw/zinc/14/96/19/552149619.db2.gz AEIXAHXZDSCPCW-NEPJUHHUSA-N 1 0 392.297 2.845 20 0 GFADRO O=C(Nc1cc(Cl)c(Cl)cc1Cl)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000177691907 552157223 /nfs/dbraw/zinc/15/72/23/552157223.db2.gz DCTJNTNWWNXMIH-SECBINFHSA-N 1 0 376.671 2.892 20 0 GFADRO CNC(=O)NC(=O)CC[NH+]1CCC(OCc2ccc(Cl)c(Cl)c2)CC1 ZINC000177716715 552157806 /nfs/dbraw/zinc/15/78/06/552157806.db2.gz WPAFGDXKTNYWQZ-UHFFFAOYSA-N 1 0 388.295 2.820 20 0 GFADRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)Nc1cc(Br)cn(C)c1=O ZINC000177982136 552162180 /nfs/dbraw/zinc/16/21/80/552162180.db2.gz XCHGQLLRMHCOLF-CYBMUJFWSA-N 1 0 385.306 2.534 20 0 GFADRO CCS(=O)(=O)N(C)CCC[NH2+][C@@H](C)c1cc(Cl)c(OC)cc1OC ZINC000178074046 552163530 /nfs/dbraw/zinc/16/35/30/552163530.db2.gz VRUZJBCSMVWDGO-LBPRGKRZSA-N 1 0 378.922 2.679 20 0 GFADRO CC(C)n1cc(Br)cc1C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000178103549 552164176 /nfs/dbraw/zinc/16/41/76/552164176.db2.gz ZSBFCRRZAPKFMJ-CQSZACIVSA-N 1 0 384.318 2.626 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)C[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000178335373 552169021 /nfs/dbraw/zinc/16/90/21/552169021.db2.gz OFOROPHKLQRKQM-OCCSQVGLSA-N 1 0 396.329 2.838 20 0 GFADRO C[C@@H](Cn1cc(Br)cn1)[NH2+][C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000178323602 552169162 /nfs/dbraw/zinc/16/91/62/552169162.db2.gz OSDGJJIHZSETHT-STQMWFEESA-N 1 0 375.274 2.966 20 0 GFADRO COC1(C[NH2+]Cc2cnn(-c3ccc(Br)cc3)c2)CCOCC1 ZINC000178438090 552170390 /nfs/dbraw/zinc/17/03/90/552170390.db2.gz HWVSTMCZPPQDHR-UHFFFAOYSA-N 1 0 380.286 2.920 20 0 GFADRO CCC[NH+]1CCC(CNS(=O)(=O)c2cc(Cl)ccc2C(=O)OC)CC1 ZINC000178529176 552172001 /nfs/dbraw/zinc/17/20/01/552172001.db2.gz ALISVPHOHDCPCT-UHFFFAOYSA-N 1 0 388.917 2.527 20 0 GFADRO C[C@H]([NH2+]C[C@H](O)COc1ccc(I)cc1)c1ccoc1 ZINC000178519816 552172097 /nfs/dbraw/zinc/17/20/97/552172097.db2.gz WSVWSYICWYCUJP-FZMZJTMJSA-N 1 0 387.217 2.975 20 0 GFADRO C[C@H](CC(=O)NCCC[NH+]1CCC(O)CC1)c1ccc(Br)cc1 ZINC000178514468 552172129 /nfs/dbraw/zinc/17/21/29/552172129.db2.gz KEGFIEDZUSZCER-CQSZACIVSA-N 1 0 383.330 2.906 20 0 GFADRO [NH3+]C[C@H]1CCN(C(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)c(Cl)c3)C2)C1 ZINC000178577550 552172675 /nfs/dbraw/zinc/17/26/75/552172675.db2.gz PGLFRSYIJFXXPX-TZMCWYRMSA-N 1 0 384.307 2.653 20 0 GFADRO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CCN1CCOCC1(C)C ZINC000178601141 552173313 /nfs/dbraw/zinc/17/33/13/552173313.db2.gz MMGSMWBVWXPBSF-CQSZACIVSA-N 1 0 398.345 2.867 20 0 GFADRO CCOc1cc(Br)c(CC(=O)NCC[C@H]2CC[NH2+]C2)cc1OCC ZINC000178940887 552180234 /nfs/dbraw/zinc/18/02/34/552180234.db2.gz UVFVDXKEHHMEAU-CYBMUJFWSA-N 1 0 399.329 2.905 20 0 GFADRO COc1ccc(Br)cc1S(=O)(=O)N[C@]1(C[NH3+])CCCC[C@H]1C ZINC000178980420 552181419 /nfs/dbraw/zinc/18/14/19/552181419.db2.gz HDBTUCGAXZCUMO-ABAIWWIYSA-N 1 0 391.331 2.644 20 0 GFADRO CCCNC(=O)CN1CCC([NH2+][C@H](C)c2ncc(Br)s2)CC1 ZINC000179203454 552186647 /nfs/dbraw/zinc/18/66/47/552186647.db2.gz DCSMYBSQDWRWEE-LLVKDONJSA-N 1 0 389.363 2.547 20 0 GFADRO O=C(c1cncc(I)c1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000179344841 552190529 /nfs/dbraw/zinc/19/05/29/552190529.db2.gz OARWENAKMODWQJ-UHFFFAOYSA-N 1 0 399.276 2.777 20 0 GFADRO O=C(c1cnn2cc(Br)cnc12)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000179596301 552197029 /nfs/dbraw/zinc/19/70/29/552197029.db2.gz IVRBNUJTFJXGEI-UHFFFAOYSA-N 1 0 392.301 2.582 20 0 GFADRO C[N@@H+]1CCN(C(=O)c2cnn3cc(Br)cnc23)C2(CCCCC2)C1 ZINC000179672856 552199828 /nfs/dbraw/zinc/19/98/28/552199828.db2.gz BNSVVYUTOLARTB-UHFFFAOYSA-N 1 0 392.301 2.582 20 0 GFADRO O=C(C[NH2+][C@H](CCCO)c1ccccc1)Nc1ccc(Br)cn1 ZINC000179733061 552201372 /nfs/dbraw/zinc/20/13/72/552201372.db2.gz YFSDNFNCADKEHR-OAHLLOKOSA-N 1 0 378.270 2.886 20 0 GFADRO C[N@H+](CCCO)C1CCN(C(=O)/C=C/c2csc(Br)c2)CC1 ZINC000179767219 552202337 /nfs/dbraw/zinc/20/23/37/552202337.db2.gz ZXDIKYIBVVRYRG-ONEGZZNKSA-N 1 0 387.343 2.829 20 0 GFADRO CC[C@@H](CO)[NH+]1CCN(Cc2cnn(-c3ccc(Br)cc3)c2)CC1 ZINC000179996999 552209274 /nfs/dbraw/zinc/20/92/74/552209274.db2.gz RNCVILAYYDZMLE-KRWDZBQOSA-N 1 0 393.329 2.523 20 0 GFADRO CC(Cl)(Cl)C(=O)N1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000180074363 552212358 /nfs/dbraw/zinc/21/23/58/552212358.db2.gz KTWVLRPYUCHMOK-HNNXBMFYSA-N 1 0 385.339 2.636 20 0 GFADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)/C=C/c2cc(Br)c(O)c(OC)c2)C1 ZINC000180091984 552212695 /nfs/dbraw/zinc/21/26/95/552212695.db2.gz JJPMGWSFGHLLJD-GJBLVYBDSA-N 1 0 397.313 2.977 20 0 GFADRO O=C(C[C@H](O)c1cc(Cl)cc(Cl)c1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000180131350 552214451 /nfs/dbraw/zinc/21/44/51/552214451.db2.gz INLSOKNBFXTQII-GUYCJALGSA-N 1 0 387.307 2.598 20 0 GFADRO C[C@H]([NH2+]Cc1cncc(Br)c1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000180530524 552228899 /nfs/dbraw/zinc/22/88/99/552228899.db2.gz WSVZVSJIKQLQAG-LBPRGKRZSA-N 1 0 398.326 2.945 20 0 GFADRO C[C@@H]([NH2+]Cc1ccccc1S(=O)(=O)N(C)CCO)c1ccc(Cl)cc1 ZINC000180884227 552239152 /nfs/dbraw/zinc/23/91/52/552239152.db2.gz QMAOMOFYMIEGJA-CQSZACIVSA-N 1 0 382.913 2.804 20 0 GFADRO COc1ccc(Br)cc1CN(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000180944500 552241456 /nfs/dbraw/zinc/24/14/56/552241456.db2.gz VRJONDOFYFYVGI-UHFFFAOYSA-N 1 0 384.362 2.916 20 0 GFADRO Cc1cc([C@H](C)[NH2+]C2CCN(S(=O)(=O)C3CCOCC3)CC2)c(C)s1 ZINC000180982229 552241876 /nfs/dbraw/zinc/24/18/76/552241876.db2.gz VFDPCSFRPLFDHB-AWEZNQCLSA-N 1 0 386.583 2.989 20 0 GFADRO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2cncc(Br)c2)cc1 ZINC000181038783 552243563 /nfs/dbraw/zinc/24/35/63/552243563.db2.gz CFCXSAZVMXRYFM-LLVKDONJSA-N 1 0 384.299 2.603 20 0 GFADRO CCc1ccc([C@@H](C)[NH2+]C2CCN(S(=O)(=O)c3cnn(C)c3)CC2)s1 ZINC000181110746 552246777 /nfs/dbraw/zinc/24/67/77/552246777.db2.gz HYQLMPDKXMKHNN-CYBMUJFWSA-N 1 0 382.555 2.548 20 0 GFADRO C[NH+](C)Cc1ccc(C(=O)N[C@@H](CO)c2cccc(Br)c2)cc1 ZINC000181132813 552248085 /nfs/dbraw/zinc/24/80/85/552248085.db2.gz NFWVDQICAUVRMJ-KRWDZBQOSA-N 1 0 377.282 2.974 20 0 GFADRO COc1ccc(C(=O)N(CC[NH+](C)C)Cc2ccco2)nc1Br ZINC000181338712 552253387 /nfs/dbraw/zinc/25/33/87/552253387.db2.gz AWCNXZKHKQAJRF-UHFFFAOYSA-N 1 0 382.258 2.650 20 0 GFADRO COc1cc(OC)cc(OCC[NH2+][C@@H](C)Cn2cc(Br)cn2)c1 ZINC000181347063 552253870 /nfs/dbraw/zinc/25/38/70/552253870.db2.gz GBEUVQYIOZQOCL-LBPRGKRZSA-N 1 0 384.274 2.720 20 0 GFADRO CC[NH+](CC)[C@H](CNC(=O)C(=O)Nc1cccnc1Br)CC(C)C ZINC000181433519 552256695 /nfs/dbraw/zinc/25/66/95/552256695.db2.gz XZJZEGARFHDEJW-ZDUSSCGKSA-N 1 0 399.333 2.655 20 0 GFADRO CC(=O)Nc1cccc([C@H](C)[NH2+]CCN(C)S(=O)(=O)c2cccs2)c1 ZINC000181501490 552258380 /nfs/dbraw/zinc/25/83/80/552258380.db2.gz WUWSRRDJRNPLJZ-ZDUSSCGKSA-N 1 0 381.523 2.678 20 0 GFADRO CC(C)([NH2+]C[C@@H]1CCCN(S(C)(=O)=O)C1)c1ccccc1Br ZINC000181518624 552259243 /nfs/dbraw/zinc/25/92/43/552259243.db2.gz PNEKWUPOKVCKDE-ZDUSSCGKSA-N 1 0 389.359 2.945 20 0 GFADRO Cc1ccc(C[C@H]([NH2+]C[C@H](O)CS(=O)(=O)c2cccs2)C2CC2)cc1 ZINC000181642239 552264268 /nfs/dbraw/zinc/26/42/68/552264268.db2.gz LCGGLTNJYAAUPW-ROUUACIJSA-N 1 0 379.547 2.802 20 0 GFADRO CCO[C@@H](CC[NH+](C)C)CNS(=O)(=O)Cc1ccc(Cl)cc1Cl ZINC000181705060 552265708 /nfs/dbraw/zinc/26/57/08/552265708.db2.gz ZBFRXQWEEMSMQH-AWEZNQCLSA-N 1 0 383.341 2.770 20 0 GFADRO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1ccc(Cl)c(OC(F)F)c1 ZINC000181825924 552268766 /nfs/dbraw/zinc/26/87/66/552268766.db2.gz OULBADLYLCWVEA-SNVBAGLBSA-N 1 0 377.819 2.726 20 0 GFADRO CC1CC[NH+](CCCCNS(=O)(=O)c2ccc(C(F)(F)F)nc2)CC1 ZINC000181923930 552270944 /nfs/dbraw/zinc/27/09/44/552270944.db2.gz SKWVCGNQXKSQJN-UHFFFAOYSA-N 1 0 379.448 2.891 20 0 GFADRO Cc1cc(Br)ccc1CC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000182046132 552274035 /nfs/dbraw/zinc/27/40/35/552274035.db2.gz XSHOFQXTKWZKDA-HNNXBMFYSA-N 1 0 395.341 2.917 20 0 GFADRO COc1ccc([C@H](C)[NH2+]CC(=O)NCc2cccnc2)cc1Br ZINC000182067314 552274285 /nfs/dbraw/zinc/27/42/85/552274285.db2.gz PVQLJOUYAICJSZ-LBPRGKRZSA-N 1 0 378.270 2.820 20 0 GFADRO CC(C)(C)OC(=O)CNC(=O)C[NH2+]C(C)(C)Cc1ccc(Br)cc1 ZINC000182167538 552277032 /nfs/dbraw/zinc/27/70/32/552277032.db2.gz MHBYATOLIONYNL-UHFFFAOYSA-N 1 0 399.329 2.818 20 0 GFADRO Cc1nc2n(n1)C[C@H]([NH2+][C@@H]1CCN(c3ccc(Cl)c(Cl)c3)C1=O)CC2 ZINC000182445182 552284176 /nfs/dbraw/zinc/28/41/76/552284176.db2.gz LJRBCVOGTDRLPJ-IAQYHMDHSA-N 1 0 380.279 2.603 20 0 GFADRO COC(=O)c1cc(NC(=O)NCC2CC[NH+](C)CC2)ccc1Br ZINC000182606492 552288394 /nfs/dbraw/zinc/28/83/94/552288394.db2.gz XWZGITWWUBDMDI-UHFFFAOYSA-N 1 0 384.274 2.699 20 0 GFADRO CCS(=O)(=O)C[C@H](C)[NH2+][C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000182969084 552297508 /nfs/dbraw/zinc/29/75/08/552297508.db2.gz UWSUVRDRDWUYJU-BBRMVZONSA-N 1 0 378.460 2.693 20 0 GFADRO C[C@@H]([NH2+]CC(=O)N1CCC(C(=O)N2CCCC2)CC1)c1ccc(Cl)s1 ZINC000182983141 552298073 /nfs/dbraw/zinc/29/80/73/552298073.db2.gz HUOYZWZCCNGTEL-CYBMUJFWSA-N 1 0 383.945 2.913 20 0 GFADRO C[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)c(Cl)c2)[C@@H]1C[NH3+] ZINC000183176209 552302264 /nfs/dbraw/zinc/30/22/64/552302264.db2.gz DGZJXVGDRJOLHZ-NOZJJQNGSA-N 1 0 381.723 2.850 20 0 GFADRO Cn1ccnc1[C@H]([NH2+]CCNC(=O)c1cccc(Br)c1)C1CC1 ZINC000183325722 552306153 /nfs/dbraw/zinc/30/61/53/552306153.db2.gz PLQVWGPQQBOPLV-OAHLLOKOSA-N 1 0 377.286 2.653 20 0 GFADRO COC[C@@H]([NH2+]CC(=O)Nc1c(Cl)cc(Cl)cc1C(=O)OC)C1CC1 ZINC000183439336 552309063 /nfs/dbraw/zinc/30/90/63/552309063.db2.gz HEFILTNOQOJCIF-CYBMUJFWSA-N 1 0 375.252 2.733 20 0 GFADRO O=C(NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1ccccc1Br ZINC000183428397 552309187 /nfs/dbraw/zinc/30/91/87/552309187.db2.gz PDBFAVNMXQEZLU-MRXNPFEDSA-N 1 0 389.293 2.946 20 0 GFADRO COC(=O)[C@H](c1cccc(Cl)c1Cl)N1CCC([N@H+](C)CCCO)CC1 ZINC000183594325 552314209 /nfs/dbraw/zinc/31/42/09/552314209.db2.gz IHBMCENIWXOTQD-KRWDZBQOSA-N 1 0 389.323 2.986 20 0 GFADRO O=C(C[NH2+][C@@H](CO)c1ccccc1)Nc1cccc(I)c1 ZINC000183662730 552316383 /nfs/dbraw/zinc/31/63/83/552316383.db2.gz OGOPLZIUJFNURK-HNNXBMFYSA-N 1 0 396.228 2.553 20 0 GFADRO CN1CC[NH+](CCC(C)(C)NC(=O)c2ccc(F)cc2Br)CC1 ZINC000184189624 552329243 /nfs/dbraw/zinc/32/92/43/552329243.db2.gz HOCBZEPFMIULRN-UHFFFAOYSA-N 1 0 386.309 2.734 20 0 GFADRO CN1CC[NH+](CCC(C)(C)NC(=O)c2ccc(Br)cc2F)CC1 ZINC000184171008 552329366 /nfs/dbraw/zinc/32/93/66/552329366.db2.gz XPGCFHRPAUHHCC-UHFFFAOYSA-N 1 0 386.309 2.734 20 0 GFADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)[C@@H](C)Oc1cccc(Cl)c1Cl ZINC000184376108 552334013 /nfs/dbraw/zinc/33/40/13/552334013.db2.gz BMRIMQWHDMLAIX-ZIAGYGMSSA-N 1 0 388.339 2.903 20 0 GFADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)c1cc(Br)ccc1Cl ZINC000184385594 552334649 /nfs/dbraw/zinc/33/46/49/552334649.db2.gz PULFTIQPDFUYNP-LBPRGKRZSA-N 1 0 388.737 2.858 20 0 GFADRO Cc1ccc(S(=O)(=O)C[C@@H](C)[NH2+]C[C@H]2CCN(CC(F)(F)F)C2)cc1 ZINC000185059300 552352505 /nfs/dbraw/zinc/35/25/05/552352505.db2.gz ONZSNTXGSJAHQY-HUUCEWRRSA-N 1 0 378.460 2.631 20 0 GFADRO Cc1c(C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cnn1-c1ccc(Br)cc1 ZINC000185168455 552356422 /nfs/dbraw/zinc/35/64/22/552356422.db2.gz KNOVPDYXAQONLM-VUCTXSBTSA-N 1 0 389.297 2.753 20 0 GFADRO Cc1c(Br)scc1C(=O)NCC1CC[NH+](CCN(C)C)CC1 ZINC000185187029 552357028 /nfs/dbraw/zinc/35/70/28/552357028.db2.gz LLDHNDDYKILAET-UHFFFAOYSA-N 1 0 388.375 2.822 20 0 GFADRO Cc1cc(N2CC[C@H]([NH2+][C@H](C)c3cnn(C)c3)C2=O)ccc1Br ZINC000185276870 552359901 /nfs/dbraw/zinc/35/99/01/552359901.db2.gz SUNXSNLZTZCMEN-WBMJQRKESA-N 1 0 377.286 2.947 20 0 GFADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)CCOc1ccc(Cl)cc1Cl ZINC000185309031 552361172 /nfs/dbraw/zinc/36/11/72/552361172.db2.gz VVRSMNXUYVTGBI-CQSZACIVSA-N 1 0 388.339 2.905 20 0 GFADRO Nc1c(Br)cc(Br)cc1C[NH2+]C[C@]1(O)CCSC1 ZINC000185853213 552371921 /nfs/dbraw/zinc/37/19/21/552371921.db2.gz CXAUOPVDFVOBJP-GFCCVEGCSA-N 1 0 396.148 2.751 20 0 GFADRO CS[C@H](CO)[C@H](C)[NH2+]Cc1cc(Br)cc(Br)c1N ZINC000185838045 552372198 /nfs/dbraw/zinc/37/21/98/552372198.db2.gz ZZUKVUUOWLUABU-WRWORJQWSA-N 1 0 398.164 2.996 20 0 GFADRO COc1ccsc1[C@@H](C)[NH2+]CC1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000186163136 552380525 /nfs/dbraw/zinc/38/05/25/552380525.db2.gz BAKRMDOVEADFOB-SNVBAGLBSA-N 1 0 386.461 2.969 20 0 GFADRO Cc1c(C(=O)NCC2=CC[NH2+]CC2)cnn1-c1cccc(Br)c1 ZINC000186390143 552387096 /nfs/dbraw/zinc/38/70/96/552387096.db2.gz JRLUSFAJBXTQBH-UHFFFAOYSA-N 1 0 375.270 2.593 20 0 GFADRO C[C@H](NC(=O)c1c[nH]c(=O)c(Br)c1)[C@@H](c1ccccc1)[NH+](C)C ZINC000186483376 552388755 /nfs/dbraw/zinc/38/87/55/552388755.db2.gz MWEPWZZYKRUKJE-NHYWBVRUSA-N 1 0 378.270 2.559 20 0 GFADRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)c1ccc(I)cc1Cl ZINC000186700105 552395136 /nfs/dbraw/zinc/39/51/36/552395136.db2.gz UAGFTEDJUSHBAO-PELKAZGASA-N 1 0 378.641 2.672 20 0 GFADRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)c1ccc(I)cc1Cl ZINC000186700121 552395242 /nfs/dbraw/zinc/39/52/42/552395242.db2.gz UAGFTEDJUSHBAO-UFBFGSQYSA-N 1 0 378.641 2.672 20 0 GFADRO CN(CC[N@H+](C)C1CC1)C(=O)c1cc(I)c(F)cc1F ZINC000186714665 552395952 /nfs/dbraw/zinc/39/59/52/552395952.db2.gz GVKGJUQVOXIXAD-UHFFFAOYSA-N 1 0 394.203 2.736 20 0 GFADRO CN1CCO[C@H]([C@H]([NH2+]CCCCCS(C)(=O)=O)c2ccc(Cl)cc2)C1 ZINC000186860769 552399502 /nfs/dbraw/zinc/39/95/02/552399502.db2.gz JUMFSZCFBYFWGU-ZWKOTPCHSA-N 1 0 388.961 2.516 20 0 GFADRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)[C@@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1 ZINC000186875058 552400190 /nfs/dbraw/zinc/40/01/90/552400190.db2.gz GTSIPTBDOCCCDK-RLCCDNCMSA-N 1 0 384.307 2.712 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000186919862 552401248 /nfs/dbraw/zinc/40/12/48/552401248.db2.gz XAUBBNHCTOZEMK-VUCTXSBTSA-N 1 0 389.297 2.753 20 0 GFADRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)c1cc2cc(Br)ccc2[nH]1 ZINC000186906102 552401252 /nfs/dbraw/zinc/40/12/52/552401252.db2.gz ZZUJWYQBGDDJIO-LBPRGKRZSA-N 1 0 394.313 2.848 20 0 GFADRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)CCc1cc(Br)cs1 ZINC000186953967 552402575 /nfs/dbraw/zinc/40/25/75/552402575.db2.gz WVSPULDUPUHREU-LBPRGKRZSA-N 1 0 389.359 2.747 20 0 GFADRO CN1CCC[C@@H]1C[NH2+]Cc1cc(Br)cc(Br)c1N ZINC000187225649 552410047 /nfs/dbraw/zinc/41/00/47/552410047.db2.gz RDAFNNYIPWPZGD-LLVKDONJSA-N 1 0 377.124 2.978 20 0 GFADRO CC(C)c1nn(-c2ccc(Br)cc2)cc1C[N@@H+]1C[C@@H](O)C[C@H]1CO ZINC000187666037 552421350 /nfs/dbraw/zinc/42/13/50/552421350.db2.gz MQBOEJPDJDZWCR-IRXDYDNUSA-N 1 0 394.313 2.686 20 0 GFADRO CC[C@@H](CCc1ccc(Br)cc1)[NH2+]CC1CN(S(C)(=O)=O)C1 ZINC000187839480 552426143 /nfs/dbraw/zinc/42/61/43/552426143.db2.gz FLKDDRIYTQRQQQ-INIZCTEOSA-N 1 0 389.359 2.641 20 0 GFADRO Cc1cc(S(=O)(=O)N2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)sc1Cl ZINC000187870960 552427276 /nfs/dbraw/zinc/42/72/76/552427276.db2.gz AANPTJXTGVFMSA-AWEZNQCLSA-N 1 0 391.990 2.501 20 0 GFADRO C[NH+](C)C1(CNS(=O)(=O)c2ccc(Cl)c(F)c2Cl)CCOCC1 ZINC000187944160 552428763 /nfs/dbraw/zinc/42/87/63/552428763.db2.gz BGJFZSHGHTVSFG-UHFFFAOYSA-N 1 0 385.288 2.522 20 0 GFADRO CO[C@@H]1C[NH2+][C@@H](C(=O)Nc2ccc(Oc3cccc(Br)c3)nc2)C1 ZINC000187941541 552428843 /nfs/dbraw/zinc/42/88/43/552428843.db2.gz YHNQLTGBWDNPKO-LSDHHAIUSA-N 1 0 392.253 2.952 20 0 GFADRO O=C(C[NH2+][C@H](CC1CC1)c1cc(F)cc(Br)c1)N1CCNC1=O ZINC000188185970 552438099 /nfs/dbraw/zinc/43/80/99/552438099.db2.gz IPEMDDHZMCRHJT-CQSZACIVSA-N 1 0 384.249 2.571 20 0 GFADRO CC(C)[NH+]1CCN(CCCSc2nnnn2-c2ccc(Cl)cc2)CC1 ZINC000188215420 552439300 /nfs/dbraw/zinc/43/93/00/552439300.db2.gz KGBJPKIYLAYNLF-UHFFFAOYSA-N 1 0 380.949 2.824 20 0 GFADRO O=C(NCC[N@@H+]1CCCOCC1)Nc1ccc(Cl)c(Br)c1 ZINC000188416199 552444252 /nfs/dbraw/zinc/44/42/52/552444252.db2.gz MDFRCPUQEPQVAL-UHFFFAOYSA-N 1 0 376.682 2.946 20 0 GFADRO C[C@@H]1CN(C(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)c(Cl)c3)C2)CC[NH2+]1 ZINC000188448371 552445707 /nfs/dbraw/zinc/44/57/07/552445707.db2.gz WNFWYKBGGUYWHT-TZMCWYRMSA-N 1 0 384.307 2.666 20 0 GFADRO Cc1ccc(CC(=O)NCCCC[N@@H+]2CCC[C@H]2CO)cc1Br ZINC000188566019 552448441 /nfs/dbraw/zinc/44/84/41/552448441.db2.gz YWUPAEIMLHYSKM-INIZCTEOSA-N 1 0 383.330 2.653 20 0 GFADRO O=C(COc1cc(Cl)c(Cl)cc1Cl)NCC[N@@H+]1CCCOCC1 ZINC000189368815 552469650 /nfs/dbraw/zinc/46/96/50/552469650.db2.gz NNOJIVSSAFKXCH-UHFFFAOYSA-N 1 0 381.687 2.864 20 0 GFADRO CCCN1CCCN(C[C@H](O)COc2c(Cl)cccc2Cl)CC1=O ZINC000189421785 552470665 /nfs/dbraw/zinc/47/06/65/552470665.db2.gz JKHKANYILIBOFE-ZDUSSCGKSA-N 1 0 375.296 2.677 20 0 GFADRO C[C@@H](c1cccc(S(N)(=O)=O)c1)[N@H+](C)CCOCC(F)(F)C(F)(F)F ZINC000189652781 552476929 /nfs/dbraw/zinc/47/69/29/552476929.db2.gz RQASALZLEKEXEC-JTQLQIEISA-N 1 0 390.374 2.541 20 0 GFADRO C[C@H](CNC(=O)Nc1ccc(Cl)c(S(C)(=O)=O)c1)C[NH+]1CCCCC1 ZINC000189897238 552482286 /nfs/dbraw/zinc/48/22/86/552482286.db2.gz NDQVODPEURJUPC-CYBMUJFWSA-N 1 0 387.933 2.987 20 0 GFADRO CC[NH+](CC)CCNC(=O)c1nc(Br)ccc1Br ZINC000190210526 552490116 /nfs/dbraw/zinc/49/01/16/552490116.db2.gz DAMJYJXIKXMTIB-UHFFFAOYSA-N 1 0 379.096 2.678 20 0 GFADRO COc1cc(Br)ccc1[C@H](C)[NH2+]C[C@@H](O)COC[C@@H]1CCCO1 ZINC000190433242 552496306 /nfs/dbraw/zinc/49/63/06/552496306.db2.gz LFHBSHWBDYWSMR-CFVMTHIKSA-N 1 0 388.302 2.665 20 0 GFADRO COc1cc(Br)ccc1[C@H](C)[NH2+]C[C@@H](O)COC1CCOCC1 ZINC000190458438 552497210 /nfs/dbraw/zinc/49/72/10/552497210.db2.gz VOCYONYCWBLLRM-GXTWGEPZSA-N 1 0 388.302 2.665 20 0 GFADRO Cc1csc(C(=O)N2CC[C@H]([NH+]3CCCC3)C2)c1I ZINC000190917031 552513334 /nfs/dbraw/zinc/51/33/34/552513334.db2.gz YHLXFCJDDOGZHD-NSHDSACASA-N 1 0 390.290 2.971 20 0 GFADRO CC[NH+](CC)[C@H]1CCN(C(=O)Cc2ccc(I)cc2)C1 ZINC000190956135 552514641 /nfs/dbraw/zinc/51/46/41/552514641.db2.gz AYTBYJZQETXJES-HNNXBMFYSA-N 1 0 386.277 2.776 20 0 GFADRO C[C@@H](NC(=O)C[N@H+](C)C1(CO)CCOCC1)c1ccc(Cl)cc1Cl ZINC000191040667 552517585 /nfs/dbraw/zinc/51/75/85/552517585.db2.gz PMHXNBCDKWLCLA-GFCCVEGCSA-N 1 0 375.296 2.644 20 0 GFADRO CS[C@@H](C)C(=O)Nc1ccc(CN2CC[NH+](C)CC2)c(Br)c1 ZINC000191083731 552517840 /nfs/dbraw/zinc/51/78/40/552517840.db2.gz OQIRNRLSCUSAHU-LBPRGKRZSA-N 1 0 386.359 2.887 20 0 GFADRO C[C@H]1CN(C(=O)C2(c3ccccc3Br)CC2)CC[N@@H+]1CC(C)(C)O ZINC000191077577 552518136 /nfs/dbraw/zinc/51/81/36/552518136.db2.gz GPWWFHIXWBQRDW-AWEZNQCLSA-N 1 0 395.341 2.784 20 0 GFADRO CCN(C)c1ccc(C[NH2+]C[C@H](O)COc2ccccc2Br)cn1 ZINC000191350640 552525813 /nfs/dbraw/zinc/52/58/13/552525813.db2.gz IKVAQOKXWKYJCU-HNNXBMFYSA-N 1 0 394.313 2.830 20 0 GFADRO COC(=O)[C@](C)(C[NH2+][C@H](C)Cn1cc(Br)cn1)c1ccccc1 ZINC000191577139 552532036 /nfs/dbraw/zinc/53/20/36/552532036.db2.gz FCHDFNXJYVUCCQ-CXAGYDPISA-N 1 0 380.286 2.755 20 0 GFADRO C[C@H](CNC(=O)C1(c2ccccc2Br)CC1)CN1CCOCC1 ZINC000191788823 552537847 /nfs/dbraw/zinc/53/78/47/552537847.db2.gz LGWQBVFZYSLNEL-CQSZACIVSA-N 1 0 381.314 2.565 20 0 GFADRO COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000191927821 552543391 /nfs/dbraw/zinc/54/33/91/552543391.db2.gz ZMPZFOMIVJUTEA-JTQLQIEISA-N 1 0 386.279 2.541 20 0 GFADRO COc1cccc(CN(CC[NH+](C)C)C(=O)c2cc(Br)c[nH]2)c1 ZINC000191950456 552543785 /nfs/dbraw/zinc/54/37/85/552543785.db2.gz VOWCAIALZNPBRT-UHFFFAOYSA-N 1 0 380.286 2.990 20 0 GFADRO CC[C@@H](CO)[NH+]1CCN([C@H](C(=O)OC)c2ccc(Cl)c(Cl)c2)CC1 ZINC000192046180 552547421 /nfs/dbraw/zinc/54/74/21/552547421.db2.gz GHORKEQPRAEGQH-BBRMVZONSA-N 1 0 375.296 2.596 20 0 GFADRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)Cc2ccc(I)cc2)C1 ZINC000192053759 552547718 /nfs/dbraw/zinc/54/77/18/552547718.db2.gz CKYXKGVXVISGIO-GJZGRUSLSA-N 1 0 386.277 2.823 20 0 GFADRO C[NH+](C)[C@H]1CCCN(C(=O)C(=O)Nc2cccc(Cl)c2Br)C1 ZINC000192079280 552549490 /nfs/dbraw/zinc/54/94/90/552549490.db2.gz VDZCLKYZGFFWKM-JTQLQIEISA-N 1 0 388.693 2.594 20 0 GFADRO COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000192085690 552550465 /nfs/dbraw/zinc/55/04/65/552550465.db2.gz WCJZJGDWGSIVRY-MNOVXSKESA-N 1 0 388.295 2.930 20 0 GFADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)Nc1c(F)cc(F)cc1Br ZINC000192290700 552558397 /nfs/dbraw/zinc/55/83/97/552558397.db2.gz HWTKSZYHUIBFDD-LLVKDONJSA-N 1 0 392.244 2.960 20 0 GFADRO COC(=O)c1cccc(NC(=O)N2CC[C@H](C[NH+](C)C)C2)c1Br ZINC000192424966 552563173 /nfs/dbraw/zinc/56/31/73/552563173.db2.gz AZKGPHGRWUQWMV-LLVKDONJSA-N 1 0 384.274 2.651 20 0 GFADRO CC(C)(O)C[NH+]1CCN(C(=O)Nc2cc3c(cc2Br)CCC3)CC1 ZINC000192465687 552564633 /nfs/dbraw/zinc/56/46/33/552564633.db2.gz CNLNCMMTVAVAAS-UHFFFAOYSA-N 1 0 396.329 2.858 20 0 GFADRO O=S(=O)(C1CC1)N1CCC([NH2+]Cc2c(F)cccc2Br)CC1 ZINC000192626056 552567885 /nfs/dbraw/zinc/56/78/85/552567885.db2.gz HKJAMOZHDMMDIV-UHFFFAOYSA-N 1 0 391.306 2.634 20 0 GFADRO C[C@@H](O)C[N@@H+]1CCN(Cc2ncc(-c3ccc(Br)cc3)o2)[C@H](C)C1 ZINC000192811374 552974755 /nfs/dbraw/zinc/97/47/55/552974755.db2.gz QPYCGAGSFXSYJF-ZIAGYGMSSA-N 1 0 394.313 2.991 20 0 GFADRO C[N@H+](CCCNC(=O)C(=O)Nc1ccc(Br)cn1)C1CCCCC1 ZINC000192924379 552978025 /nfs/dbraw/zinc/97/80/25/552978025.db2.gz QZBZYFISILNFGJ-UHFFFAOYSA-N 1 0 397.317 2.553 20 0 GFADRO C[N@@H+]1C[C@@H]2CN(S(=O)(=O)c3ccc4cc(Br)ccc4c3)C[C@@H]2C1 ZINC000192914477 552978060 /nfs/dbraw/zinc/97/80/60/552978060.db2.gz ASBPFCUEKDFSNI-GASCZTMLSA-N 1 0 395.322 2.784 20 0 GFADRO COc1ccc(Br)c(S(=O)(=O)N[C@@]2(C[NH3+])CCCC[C@@H]2C)c1 ZINC000193032405 552980693 /nfs/dbraw/zinc/98/06/93/552980693.db2.gz CSZIVCLAOFRVEC-XHDPSFHLSA-N 1 0 391.331 2.644 20 0 GFADRO C[C@H]([NH2+]Cc1ccc(Br)cc1N1CCOCC1)c1ccnn1C ZINC000193031148 552980695 /nfs/dbraw/zinc/98/06/95/552980695.db2.gz MAWFVSQUSMMLTL-ZDUSSCGKSA-N 1 0 379.302 2.870 20 0 GFADRO CCc1nc(NC(=O)C(=O)N(CC[NH+](C)C)Cc2cccs2)sc1C ZINC000193131475 552984019 /nfs/dbraw/zinc/98/40/19/552984019.db2.gz JEZIICINLDBZDH-UHFFFAOYSA-N 1 0 380.539 2.604 20 0 GFADRO FC(F)(F)c1nnc(N2CCC[N@H+](CCO[C@H]3CCCCO3)CC2)s1 ZINC000193128835 552984279 /nfs/dbraw/zinc/98/42/79/552984279.db2.gz VXUJIWDIXZUTQH-LBPRGKRZSA-N 1 0 380.436 2.612 20 0 GFADRO O=S(=O)(NCC1CC[NH2+]CC1)c1cc(Cl)c(Br)cc1F ZINC000193235053 552987192 /nfs/dbraw/zinc/98/71/92/552987192.db2.gz KCQGJWWZFBICIO-UHFFFAOYSA-N 1 0 385.686 2.520 20 0 GFADRO C[C@@H]([NH3+])CCC(=O)N1CCC(C(=O)Nc2ccccc2Br)CC1 ZINC000193234747 552987414 /nfs/dbraw/zinc/98/74/14/552987414.db2.gz SCFLRHBZYCLTQW-GFCCVEGCSA-N 1 0 382.302 2.754 20 0 GFADRO CCC(CC)[C@@H](CNC(=O)C(=O)Nc1ccc(Br)c(C)n1)[NH+](C)C ZINC000193280921 552989183 /nfs/dbraw/zinc/98/91/83/552989183.db2.gz VKKFNZFIWINLCH-CQSZACIVSA-N 1 0 399.333 2.574 20 0 GFADRO Cc1cc(Br)cc(S(=O)(=O)NCc2ccc3c(c2)C[NH2+]C3)c1 ZINC000193433193 552992984 /nfs/dbraw/zinc/99/29/84/552992984.db2.gz WTJLGWYRLRVSPL-UHFFFAOYSA-N 1 0 381.295 2.839 20 0 GFADRO C[C@@H]1[NH2+]CCC[C@@H]1NS(=O)(=O)c1cc(Cl)c(Br)cc1F ZINC000193457900 552994130 /nfs/dbraw/zinc/99/41/30/552994130.db2.gz XJVDXYOWECMXRQ-CPCISQLKSA-N 1 0 385.686 2.660 20 0 GFADRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)CCc1nc(-c2cc(Br)cs2)no1 ZINC000193574875 552997308 /nfs/dbraw/zinc/99/73/08/552997308.db2.gz VLGLJZQHVQHHCB-ONGXEEELSA-N 1 0 399.314 2.750 20 0 GFADRO C[N@H+]1C[C@H]2CN(Cc3cc(Br)cc(Br)c3N)C[C@H]2C1 ZINC000194542601 553023525 /nfs/dbraw/zinc/02/35/25/553023525.db2.gz NJWPMNWNFKUWKB-PHIMTYICSA-N 1 0 389.135 2.787 20 0 GFADRO COc1ccc(NC(=O)c2csc(CC[NH3+])n2)cc1OCC(F)(F)F ZINC000194772909 553029565 /nfs/dbraw/zinc/02/95/65/553029565.db2.gz PUGYXMISFBQWMW-UHFFFAOYSA-N 1 0 375.372 2.846 20 0 GFADRO [NH3+]CCc1nc(C(=O)NCC2(c3ccccc3Cl)CCOCC2)cs1 ZINC000194801421 553030409 /nfs/dbraw/zinc/03/04/09/553030409.db2.gz ONTJMOVTXLBEIM-UHFFFAOYSA-N 1 0 379.913 2.776 20 0 GFADRO C[C@@H]1CN(CCN(C)Cc2nc3cc(Br)ccc3[nH]2)C[C@H](C)O1 ZINC000195320567 553045114 /nfs/dbraw/zinc/04/51/14/553045114.db2.gz GDCQCNCORKZSOS-BETUJISGSA-N 1 0 381.318 2.866 20 0 GFADRO CCOC1CC(C[NH2+]Cc2ccc(Br)s2)(N2CCOCC2)C1 ZINC000195459894 553049464 /nfs/dbraw/zinc/04/94/64/553049464.db2.gz AXXYHIZYJIEZCV-UHFFFAOYSA-N 1 0 389.359 2.870 20 0 GFADRO C[NH+]1CCN(Cc2ccc(NS(=O)(=O)c3cccc(Cl)c3)cc2)CC1 ZINC000206067580 553052295 /nfs/dbraw/zinc/05/22/95/553052295.db2.gz DKDOHMVKAWQQJI-UHFFFAOYSA-N 1 0 379.913 2.888 20 0 GFADRO [NH3+]CC1CCN(C(=O)c2cc(Cl)ccc2I)CC1 ZINC000226175154 553060891 /nfs/dbraw/zinc/06/08/91/553060891.db2.gz OMLFYKUPEFTWSJ-UHFFFAOYSA-N 1 0 378.641 2.756 20 0 GFADRO [NH3+]C[C@H]1CCCN(C(=O)c2cc(Cl)ccc2I)C1 ZINC000226231191 553060922 /nfs/dbraw/zinc/06/09/22/553060922.db2.gz KNDKLVFJVZSXQN-SECBINFHSA-N 1 0 378.641 2.756 20 0 GFADRO C[C@@H]1CN(C(=O)c2cc(Cl)ccc2I)CC[C@@H]1[NH3+] ZINC000226263682 553061382 /nfs/dbraw/zinc/06/13/82/553061382.db2.gz VLDFQUGOFOPHIU-PELKAZGASA-N 1 0 378.641 2.754 20 0 GFADRO CO[C@H]1CCN(Cc2ncc(Br)cc2Br)[C@@H](C[NH3+])C1 ZINC000228263405 553063230 /nfs/dbraw/zinc/06/32/30/553063230.db2.gz CQEQULJBDIKMRC-MNOVXSKESA-N 1 0 393.123 2.545 20 0 GFADRO CN(C(=O)c1ccc(F)cc1I)[C@H]1CCC[NH2+]CC1 ZINC000231469368 553066129 /nfs/dbraw/zinc/06/61/29/553066129.db2.gz ULRCBFGWWUIYIJ-NSHDSACASA-N 1 0 376.213 2.644 20 0 GFADRO C[NH+](C)CC1CCN(S(=O)(=O)c2ccc(Br)c(F)c2)CC1 ZINC000231635597 553066543 /nfs/dbraw/zinc/06/65/43/553066543.db2.gz ZPTVIVKZLZQBLI-UHFFFAOYSA-N 1 0 379.295 2.551 20 0 GFADRO C[C@@H]1C[C@H](NS(=O)(=O)c2ccc(Cl)c(Br)c2)CC[N@@H+]1C ZINC000235369938 553067949 /nfs/dbraw/zinc/06/79/49/553067949.db2.gz QGGMZGKRDMRBJM-NXEZZACHSA-N 1 0 381.723 2.864 20 0 GFADRO O=C(CCc1nc(-c2cc(Br)cs2)no1)NC[C@@H]1CCC[NH2+]C1 ZINC000236595449 553069644 /nfs/dbraw/zinc/06/96/44/553069644.db2.gz MVTLNLCNDQJALH-SNVBAGLBSA-N 1 0 399.314 2.609 20 0 GFADRO CC(C)[C@H]([NH3+])CCN(C)C(=O)c1cc(=O)[nH]c2c(Br)cccc12 ZINC000236613356 553069832 /nfs/dbraw/zinc/06/98/32/553069832.db2.gz GLLGUDXBVYOBQS-CQSZACIVSA-N 1 0 380.286 2.736 20 0 GFADRO O=C(CCc1ncc(-c2ccccc2Br)o1)NCC[NH2+]C1CC1 ZINC000236590594 553069895 /nfs/dbraw/zinc/06/98/95/553069895.db2.gz KFKVYFMWIJMMOT-UHFFFAOYSA-N 1 0 378.270 2.905 20 0 GFADRO O=C([C@@H]1CC12CC[NH2+]CC2)N1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000236619448 553069911 /nfs/dbraw/zinc/06/99/11/553069911.db2.gz XLGDENHNGXENCS-JKSUJKDBSA-N 1 0 379.298 2.739 20 0 GFADRO O=C(CC1CC[NH2+]CC1)N1CCN(Cc2ccc(Br)s2)CC1 ZINC000236686682 553070320 /nfs/dbraw/zinc/07/03/20/553070320.db2.gz ZSQWSBCERBDVIL-UHFFFAOYSA-N 1 0 386.359 2.545 20 0 GFADRO CC(=O)N[C@H](CC(=O)NCC1([NH3+])CCCCC1)c1ccc(Br)cc1 ZINC000236722623 553071133 /nfs/dbraw/zinc/07/11/33/553071133.db2.gz NXHALSMOBZDFQT-MRXNPFEDSA-N 1 0 396.329 2.794 20 0 GFADRO CC(C)c1ccc([C@H]([NH3+])CNC(=O)c2c[nH]c(=O)c(Br)c2)cc1 ZINC000236773643 553071220 /nfs/dbraw/zinc/07/12/20/553071220.db2.gz JGJPARSMBSGGMB-OAHLLOKOSA-N 1 0 378.270 2.691 20 0 GFADRO CCCN(C(=O)c1cc(Br)c2c(c1)OCCO2)C1CC[NH2+]CC1 ZINC000236843354 553072078 /nfs/dbraw/zinc/07/20/78/553072078.db2.gz AYFGPJVQJHCFFI-UHFFFAOYSA-N 1 0 383.286 2.825 20 0 GFADRO CCOc1ccc(S(=O)(=O)NCC([NH3+])(CC)CC)cc1Br ZINC000236872860 553072405 /nfs/dbraw/zinc/07/24/05/553072405.db2.gz XVZBEEGEYHJDSZ-UHFFFAOYSA-N 1 0 379.320 2.644 20 0 GFADRO CCCC[C@@H](C[NH3+])NS(=O)(=O)c1cc(Br)c(C)cc1OC ZINC000236899150 553072673 /nfs/dbraw/zinc/07/26/73/553072673.db2.gz YGJIQYOTCWOUHC-NSHDSACASA-N 1 0 379.320 2.562 20 0 GFADRO CCC[C@@H]([NH3+])C(=O)N1CCC(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000236913591 553072812 /nfs/dbraw/zinc/07/28/12/553072812.db2.gz GATZJVQDDGNLIT-OAHLLOKOSA-N 1 0 382.302 2.754 20 0 GFADRO CCc1nc(C(=O)N2CCC([NH2+]C)CC2)nn1-c1c(Cl)cccc1Cl ZINC000237021978 553073710 /nfs/dbraw/zinc/07/37/10/553073710.db2.gz BAIRGMIAJWLOQF-UHFFFAOYSA-N 1 0 382.295 2.961 20 0 GFADRO C[NH2+]C[C@H]1CCCN1C(=O)c1cnn(-c2ccc(Br)cc2)c1C ZINC000237272475 553076679 /nfs/dbraw/zinc/07/66/79/553076679.db2.gz OOIDATQNZBPVAG-OAHLLOKOSA-N 1 0 377.286 2.767 20 0 GFADRO C[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC000237524688 553078977 /nfs/dbraw/zinc/07/89/77/553078977.db2.gz GKSCDBUFPWOZHI-LLVKDONJSA-N 1 0 382.295 2.870 20 0 GFADRO Cc1c(C(=O)N2C[C@H](C)[NH2+]C[C@H]2C)cnn1-c1ccc(Br)cc1 ZINC000237585940 553079255 /nfs/dbraw/zinc/07/92/55/553079255.db2.gz LPQRJOLGLVQGNO-NWDGAFQWSA-N 1 0 377.286 2.766 20 0 GFADRO Cc1nn(Cc2cccc(Br)c2)c(C)c1C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000237621695 553079789 /nfs/dbraw/zinc/07/97/89/553079789.db2.gz ODEHINXNJGMMDB-MRXNPFEDSA-N 1 0 391.313 2.793 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CNC(=O)C[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000237602762 553080059 /nfs/dbraw/zinc/08/00/59/553080059.db2.gz VMRGUHKXAFIJSC-KGLIPLIRSA-N 1 0 396.329 2.838 20 0 GFADRO Cc1c(C(=O)N2CCC[C@H](C)[C@@H]2C[NH3+])nnn1-c1cccc(Br)c1 ZINC000237664502 553080724 /nfs/dbraw/zinc/08/07/24/553080724.db2.gz NBIYMEKWLYVYGF-NHYWBVRUSA-N 1 0 392.301 2.538 20 0 GFADRO O=C(C[NH2+]C[C@@H]1CCCO1)Nc1nc2ccc(OC(F)(F)F)cc2s1 ZINC000237743103 553080979 /nfs/dbraw/zinc/08/09/79/553080979.db2.gz BJAKBLUDGQZRFZ-JTQLQIEISA-N 1 0 375.372 2.902 20 0 GFADRO [NH3+]C[C@H]1CCC[C@H]1NC(=O)C1(c2ccc(Br)cc2)CCOCC1 ZINC000237808187 553082450 /nfs/dbraw/zinc/08/24/50/553082450.db2.gz AWHQKFYDDVKHJR-CZUORRHYSA-N 1 0 381.314 2.741 20 0 GFADRO [NH3+][C@H]1CCN(C(=O)c2cnn(-c3ncc(Cl)cc3Cl)c2C(F)(F)F)C1 ZINC000237853453 553082767 /nfs/dbraw/zinc/08/27/67/553082767.db2.gz AIKSQOHIAXVLBP-QMMMGPOBSA-N 1 0 394.184 2.766 20 0 GFADRO Cc1ccc(Br)c(S(=O)(=O)NCCC[NH2+]Cc2cccnc2)c1 ZINC000237829668 553082797 /nfs/dbraw/zinc/08/27/97/553082797.db2.gz DDTQKZOTXJJNKY-UHFFFAOYSA-N 1 0 398.326 2.611 20 0 GFADRO O=C(NCC[NH2+]C1CC1)[C@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000237862262 553083194 /nfs/dbraw/zinc/08/31/94/553083194.db2.gz PKBYZERZFUHGTN-ZDUSSCGKSA-N 1 0 384.307 2.714 20 0 GFADRO [NH3+]C1(C(=O)N2CCN(Cc3ccc(Br)s3)CC2)CCCCC1 ZINC000237894876 553083203 /nfs/dbraw/zinc/08/32/03/553083203.db2.gz IKPZGPCAXCIVSL-UHFFFAOYSA-N 1 0 386.359 2.816 20 0 GFADRO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)c1cc(=O)[nH]c2c(Br)cccc12 ZINC000237985975 553084592 /nfs/dbraw/zinc/08/45/92/553084592.db2.gz FYITWUJMGLKHAN-YGRLFVJLSA-N 1 0 378.270 2.538 20 0 GFADRO [NH3+][C@@H]1CC[C@H](C(=O)NC2CCN(Cc3ccc(Br)cc3)CC2)C1 ZINC000237957799 553084765 /nfs/dbraw/zinc/08/47/65/553084765.db2.gz JPNYNXHIRSKNPS-GOEBONIOSA-N 1 0 380.330 2.657 20 0 GFADRO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)c1ccn(-c2cccc(Br)c2)n1 ZINC000237992418 553084858 /nfs/dbraw/zinc/08/48/58/553084858.db2.gz IMUIFYYUYFBASV-DOMZBBRYSA-N 1 0 377.286 2.882 20 0 GFADRO OC1CC[NH+](CCCNCc2nc(-c3ccc(Br)cc3)c[nH]2)CC1 ZINC000238152638 553086274 /nfs/dbraw/zinc/08/62/74/553086274.db2.gz VPLZFKUBDBGMKQ-UHFFFAOYSA-N 1 0 393.329 2.776 20 0 GFADRO Cc1c(Br)cccc1NC(=O)C(=O)N[C@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000245382914 553089465 /nfs/dbraw/zinc/08/94/65/553089465.db2.gz LZNVSGCJGTXEJQ-CHWSQXEVSA-N 1 0 396.329 2.933 20 0 GFADRO CCOc1cc(C[N@@H+]2C[C@@H](C(N)=O)CC[C@H]2C)cc(Br)c1OC ZINC000245512580 553091334 /nfs/dbraw/zinc/09/13/34/553091334.db2.gz ALAGQIODZWDMRS-YPMHNXCESA-N 1 0 385.302 2.942 20 0 GFADRO CC(=O)N1CC[C@H](C[N@@H+](C)[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C1 ZINC000245537029 553092138 /nfs/dbraw/zinc/09/21/38/553092138.db2.gz GHBVDVHDEMNAGU-DYVFJYSZSA-N 1 0 384.307 2.899 20 0 GFADRO O=C1CN(Cc2cnn(-c3ccc(Br)cc3)c2)[C@@H]2CCCC[C@@H]2N1 ZINC000245562703 553092662 /nfs/dbraw/zinc/09/26/62/553092662.db2.gz PDKHMNVKVXPJAS-DLBZAZTESA-N 1 0 389.297 2.878 20 0 GFADRO C[C@H](Oc1ccc(Br)cc1)C(=O)NCCCC[N@@H+]1CCC[C@H]1CO ZINC000245677021 553095148 /nfs/dbraw/zinc/09/51/48/553095148.db2.gz HYGOSXPJMLOQDZ-HOCLYGCPSA-N 1 0 399.329 2.570 20 0 GFADRO C[C@H](O)C[N@@H+]1CCN(Cc2nc(-c3cccc(Br)c3)c[nH]2)C[C@@H]1C ZINC000245717262 553095631 /nfs/dbraw/zinc/09/56/31/553095631.db2.gz HFMURAWTUQBDQI-KBPBESRZSA-N 1 0 393.329 2.726 20 0 GFADRO COC(=O)C[C@H]1CSCCN1[C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000245741994 553096534 /nfs/dbraw/zinc/09/65/34/553096534.db2.gz FDFHSXQQLDGTTI-WFASDCNBSA-N 1 0 386.876 2.565 20 0 GFADRO O=C(CC[N@@H+]1CCO[C@H]([C@H]2CCCO2)C1)Nc1cccc(Br)c1 ZINC000246255119 553105186 /nfs/dbraw/zinc/10/51/86/553105186.db2.gz PWQUKNSGXVKCTD-CVEARBPZSA-N 1 0 383.286 2.658 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)C[C@@H]2Sc3ccc(Cl)cc3NC2=O)C[N@@H+]1C1CC1 ZINC000246410019 553107206 /nfs/dbraw/zinc/10/72/06/553107206.db2.gz LSYCUOWVERUYMC-XAGWURHQSA-N 1 0 379.913 2.884 20 0 GFADRO C[C@@H]1CN(CCC(=O)Nc2sccc2C(N)=O)C[C@@H](c2ccsc2)O1 ZINC000246613788 553110482 /nfs/dbraw/zinc/11/04/82/553110482.db2.gz VDPIBLBVJAGWOY-RISCZKNCSA-N 1 0 379.507 2.699 20 0 GFADRO COCCOC[C@H]1CC[N@H+](C[C@@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000246817847 553113773 /nfs/dbraw/zinc/11/37/73/553113773.db2.gz ADYPMZBIDKXSJZ-DZGCQCFKSA-N 1 0 378.296 2.718 20 0 GFADRO CC(C)[C@H](C(=O)NCc1nc(C(F)(F)F)cs1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000247089945 553119024 /nfs/dbraw/zinc/11/90/24/553119024.db2.gz UGPPRFBNOVDISF-UHIISALHSA-N 1 0 379.448 2.912 20 0 GFADRO C[N@@H+]1CCC[C@H](CNC(=O)N[C@H]2CCN(c3ccc(Br)cc3)C2)C1 ZINC000247169960 553119365 /nfs/dbraw/zinc/11/93/65/553119365.db2.gz OVFJADYMRNGDIW-ZBFHGGJFSA-N 1 0 395.345 2.669 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)C(=O)CCS(=O)(=O)c2ccc(Cl)cc2)[C@@H](C)C1 ZINC000247222846 553119951 /nfs/dbraw/zinc/11/99/51/553119951.db2.gz CRKLPLAVQYOFOU-YOEHRIQHSA-N 1 0 386.945 2.693 20 0 GFADRO O[C@@H](COc1cc(Cl)ccc1Cl)C[N@@H+]1CCC[C@H]1CN1CCOCC1 ZINC000247554068 553123953 /nfs/dbraw/zinc/12/39/53/553123953.db2.gz QFQIQBHTVQVVGR-JKSUJKDBSA-N 1 0 389.323 2.530 20 0 GFADRO COC(=O)[C@H](c1cccc(Cl)c1Cl)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000248434765 553129466 /nfs/dbraw/zinc/12/94/66/553129466.db2.gz FBDVYRMSKSRAOP-GUYCJALGSA-N 1 0 387.307 2.862 20 0 GFADRO Cc1cc(Br)ccc1S(=O)(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000248720128 553133985 /nfs/dbraw/zinc/13/39/85/553133985.db2.gz OIGLUPYSJKAVLH-DZGCQCFKSA-N 1 0 387.343 2.862 20 0 GFADRO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)CN1[C@H](C)C[C@@H](O)C[C@@H]1C ZINC000248737199 553134400 /nfs/dbraw/zinc/13/44/00/553134400.db2.gz CJLYKFGMEFWQMA-PEGIJTEDSA-N 1 0 389.279 2.952 20 0 GFADRO COCCOC[C@@H]1CC[N@@H+]([C@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000248849921 553136151 /nfs/dbraw/zinc/13/61/51/553136151.db2.gz BUDFMISPPXKTCN-PBHICJAKSA-N 1 0 397.313 2.539 20 0 GFADRO Cc1cc(Br)cc(S(=O)(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)c1 ZINC000249073404 553138937 /nfs/dbraw/zinc/13/89/37/553138937.db2.gz MJBSWNWKRIJHTG-IUODEOHRSA-N 1 0 375.332 2.718 20 0 GFADRO C[C@H](O)C[N@@H+]1CCN(C(=O)C[C@H](C)c2ccc(Br)cc2)[C@@H](C)C1 ZINC000249103134 553139236 /nfs/dbraw/zinc/13/92/36/553139236.db2.gz ONDJSSPBQFRDQQ-KKUMJFAQSA-N 1 0 383.330 2.856 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(C)cc2Br)[C@@H](C)C1 ZINC000249158394 553140144 /nfs/dbraw/zinc/14/01/44/553140144.db2.gz IVFYVCDVLVFYFS-BBRMVZONSA-N 1 0 396.329 2.885 20 0 GFADRO Cc1cc(NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)ccc1Br ZINC000249225153 553141041 /nfs/dbraw/zinc/14/10/41/553141041.db2.gz UWAINGACICTGNM-GXTWGEPZSA-N 1 0 382.302 2.637 20 0 GFADRO CSc1ccc(Cl)cc1NC(=O)C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000249218297 553141150 /nfs/dbraw/zinc/14/11/50/553141150.db2.gz UAOKMYHZQCZGQS-WFASDCNBSA-N 1 0 381.929 2.943 20 0 GFADRO COCCO[C@@H]1CCN([C@@H](C)C(=O)Nc2ccc(C)cc2Br)C1 ZINC000249348499 553142262 /nfs/dbraw/zinc/14/22/62/553142262.db2.gz KBBNDNWZCUBEMY-UONOGXRCSA-N 1 0 385.302 2.822 20 0 GFADRO C[C@@H]1CN(C(=O)[C@H]2C[C@H]2c2ccc(Br)cc2)CC[N@@H+]1CC(C)(C)O ZINC000249360269 553142453 /nfs/dbraw/zinc/14/24/53/553142453.db2.gz LMSXYTZYPSEOIA-COXVUDFISA-N 1 0 395.341 2.856 20 0 GFADRO C[C@H](O)C[N@@H+]1CCN(Cc2ccc(Br)c3cccnc23)[C@H](C)C1 ZINC000249505653 553143816 /nfs/dbraw/zinc/14/38/16/553143816.db2.gz KQSONZSKYCVOOV-KGLIPLIRSA-N 1 0 378.314 2.884 20 0 GFADRO C[C@H]1CN(Cc2cc(Br)cc(Br)c2N)CC[C@H]1O ZINC000250115607 553147176 /nfs/dbraw/zinc/14/71/76/553147176.db2.gz UJNVPFOLWCYKHC-QPUJVOFHSA-N 1 0 378.108 2.997 20 0 GFADRO Cc1ccc(NC(=O)C(=O)N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)c(Br)c1 ZINC000250374094 553147433 /nfs/dbraw/zinc/14/74/33/553147433.db2.gz MZCDHKWMYCIWHH-ZIAGYGMSSA-N 1 0 396.329 2.933 20 0 GFADRO C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)c1ccc(F)cc1I ZINC000261599308 553153965 /nfs/dbraw/zinc/15/39/65/553153965.db2.gz PMEAQYNTPMXVIZ-JRKPZEMJSA-N 1 0 376.213 2.547 20 0 GFADRO CCc1nc(C(=O)N2C[C@H](C[NH3+])C[C@@H]2C)nn1-c1c(Cl)cccc1Cl ZINC000261704808 553156600 /nfs/dbraw/zinc/15/66/00/553156600.db2.gz JNUWAUVWUAIESR-QWRGUYRKSA-N 1 0 382.295 2.946 20 0 GFADRO CSc1ccc(Cl)c(C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)c1 ZINC000261687208 553156627 /nfs/dbraw/zinc/15/66/27/553156627.db2.gz AVHBTZARYDCEIF-ZDUSSCGKSA-N 1 0 381.851 2.628 20 0 GFADRO COCC1(CNC(=O)[C@@H](C)c2ccc(Br)s2)CC[NH2+]CC1 ZINC000261734285 553157214 /nfs/dbraw/zinc/15/72/14/553157214.db2.gz NCHDBEWFDOHSNU-NSHDSACASA-N 1 0 375.332 2.747 20 0 GFADRO C[NH2+][C@H](C)CNC(=O)c1cnn(-c2ncc(Cl)cc2Cl)c1C(F)(F)F ZINC000261733891 553157525 /nfs/dbraw/zinc/15/75/25/553157525.db2.gz LWPQLRNKOCFBEL-SSDOTTSWSA-N 1 0 396.200 2.931 20 0 GFADRO CCCC(=O)N[C@H]1CCCN(C(=O)[C@](C)([NH3+])c2ccc(Br)cc2)C1 ZINC000261828225 553160667 /nfs/dbraw/zinc/16/06/67/553160667.db2.gz TXAIDLLRHVLNCY-MAUKXSAKSA-N 1 0 396.329 2.530 20 0 GFADRO C[C@]([NH3+])(C(=O)N1CCO[C@@H](c2nccs2)C1)c1ccc(Br)cc1 ZINC000261846718 553161238 /nfs/dbraw/zinc/16/12/38/553161238.db2.gz VKFYDHMCTQSEOO-CZUORRHYSA-N 1 0 396.310 2.680 20 0 GFADRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)c1ccc(Cl)c(I)c1 ZINC000261858990 553161316 /nfs/dbraw/zinc/16/13/16/553161316.db2.gz QXZLYITWDCYKPD-IUCAKERBSA-N 1 0 378.641 2.754 20 0 GFADRO CN(Cc1ccccc1Br)C(=O)[C@]1([NH3+])[C@H]2CCCO[C@@H]2C1(C)C ZINC000261919555 553162834 /nfs/dbraw/zinc/16/28/34/553162834.db2.gz RJELQKVXCYSMGN-DHSIGJKJSA-N 1 0 381.314 2.940 20 0 GFADRO Cn1ccnc1[C@H]1C[NH2+]CCN1Cc1ccc(Br)c2cccnc12 ZINC000261997189 553163939 /nfs/dbraw/zinc/16/39/39/553163939.db2.gz KXFJXOLKQUFSKW-MRXNPFEDSA-N 1 0 386.297 2.877 20 0 GFADRO Cc1c(C(=O)N2CC[C@@](C)(C[NH3+])C2)cnn1-c1ccc(Br)cc1 ZINC000262082463 553165303 /nfs/dbraw/zinc/16/53/03/553165303.db2.gz TYMYHGMGIWNSHN-KRWDZBQOSA-N 1 0 377.286 2.754 20 0 GFADRO C[C@@]1(C[NH3+])CCN(C(=O)[C@H](c2ccc(Cl)cc2Cl)N2CCOCC2)C1 ZINC000262122859 553166581 /nfs/dbraw/zinc/16/65/81/553166581.db2.gz WIAFVTDSEYXFBM-WMZOPIPTSA-N 1 0 386.323 2.564 20 0 GFADRO C[NH2+]CCC(=O)Nc1ccc(-c2sc(CC(N)=O)cc2Br)cc1 ZINC000262318651 553169174 /nfs/dbraw/zinc/16/91/74/553169174.db2.gz DXEULIYGRAHGQN-UHFFFAOYSA-N 1 0 396.310 2.753 20 0 GFADRO CSCC[C@@H](NC(=O)c1csc(CC[NH3+])n1)c1nc2ccccc2[nH]1 ZINC000262448436 553170741 /nfs/dbraw/zinc/17/07/41/553170741.db2.gz ZENUOOLBVWVBTP-CYBMUJFWSA-N 1 0 375.523 2.745 20 0 GFADRO CCN(CC)S(=O)(=O)c1cc(NC(=O)[C@H]2CC[NH2+][C@@H](C)C2)ccc1Cl ZINC000262436613 553170810 /nfs/dbraw/zinc/17/08/10/553170810.db2.gz XHHIVGZCGSCHHJ-STQMWFEESA-N 1 0 387.933 2.697 20 0 GFADRO C[C@H](C[NH3+])C(=O)N1CCN(c2ccc(Br)cc2C(F)(F)F)CC1 ZINC000262473834 553171319 /nfs/dbraw/zinc/17/13/19/553171319.db2.gz YPAOJPWAOXJVMW-SNVBAGLBSA-N 1 0 394.235 2.711 20 0 GFADRO CC[NH2+]CCNC(=O)c1ccc(NC(=O)c2ccc(Br)o2)cc1 ZINC000262532423 553172515 /nfs/dbraw/zinc/17/25/15/553172515.db2.gz JETHKRQYKNRVHC-UHFFFAOYSA-N 1 0 380.242 2.634 20 0 GFADRO COc1ccc(Br)cc1CN(C)C(=O)[C@H]([NH3+])Cc1ccccc1 ZINC000262555848 553172605 /nfs/dbraw/zinc/17/26/05/553172605.db2.gz UETCWQJLWXDSDV-MRXNPFEDSA-N 1 0 377.282 2.986 20 0 GFADRO O=C(COc1ccc(Br)cc1Cl)NCC[C@@H]1CCC[NH2+]C1 ZINC000262590367 553173023 /nfs/dbraw/zinc/17/30/23/553173023.db2.gz AZHSCLBEGDUZFZ-NSHDSACASA-N 1 0 375.694 2.987 20 0 GFADRO COCC[C@@H](Cc1cccc(Br)c1)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000262600926 553173065 /nfs/dbraw/zinc/17/30/65/553173065.db2.gz XFOJEXYLUVIORP-HOCLYGCPSA-N 1 0 383.330 2.760 20 0 GFADRO C[C@@H]1[NH2+]CCN(C(=O)CCc2nc(-c3cc(Br)cs3)no2)[C@H]1C ZINC000262735479 553174707 /nfs/dbraw/zinc/17/47/07/553174707.db2.gz CMKAYWBNATWTCS-UWVGGRQHSA-N 1 0 399.314 2.702 20 0 GFADRO C[C@@H]1[NH2+]CCN(C(=O)c2nn(-c3ccc(F)cc3)cc2Br)[C@H]1C ZINC000262757317 553175280 /nfs/dbraw/zinc/17/52/80/553175280.db2.gz HTAKAKJWJJGGPI-QWRGUYRKSA-N 1 0 381.249 2.596 20 0 GFADRO C[C@H]1[NH2+]CCN(C(=O)c2ccc(Cl)c(I)c2)[C@H]1C ZINC000262751940 553175318 /nfs/dbraw/zinc/17/53/18/553175318.db2.gz GVHCERFTFNOQSZ-BDAKNGLRSA-N 1 0 378.641 2.767 20 0 GFADRO C[NH2+]CC1CCN(S(=O)(=O)c2cccc(Cl)c2Br)CC1 ZINC000262793667 553176176 /nfs/dbraw/zinc/17/61/76/553176176.db2.gz SGYXELSCUCGDAP-UHFFFAOYSA-N 1 0 381.723 2.723 20 0 GFADRO C[C@H]1[NH2+]CCN(C(=O)c2ccc(I)cc2Cl)[C@H]1C ZINC000262793394 553176302 /nfs/dbraw/zinc/17/63/02/553176302.db2.gz NFKHFJIEYHLKBL-BDAKNGLRSA-N 1 0 378.641 2.767 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)[C@H]2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)CC[NH2+]1 ZINC000262951094 553179583 /nfs/dbraw/zinc/17/95/83/553179583.db2.gz VLIBDBWESCEAAS-HFBAOOFYSA-N 1 0 384.307 2.855 20 0 GFADRO Brc1csc(-c2noc(C3(n4cccn4)CC[NH2+]CC3)n2)c1 ZINC000263167242 553183347 /nfs/dbraw/zinc/18/33/47/553183347.db2.gz FIWQNRZZYDYGCP-UHFFFAOYSA-N 1 0 380.271 2.884 20 0 GFADRO CN(CC(=O)Nc1ccccc1Br)C(=O)CCC1CC[NH2+]CC1 ZINC000263279488 553185300 /nfs/dbraw/zinc/18/53/00/553185300.db2.gz UAVXZGXYAYQSAH-UHFFFAOYSA-N 1 0 382.302 2.626 20 0 GFADRO C[NH2+]CCN(C)C(=O)c1ccccc1Sc1ccc(S(C)(=O)=O)cc1 ZINC000263265222 553185454 /nfs/dbraw/zinc/18/54/54/553185454.db2.gz UWFPQHYEPPHSDE-UHFFFAOYSA-N 1 0 378.519 2.533 20 0 GFADRO COc1c(Cl)cc(NC(=O)C(=O)NCCC[N@H+](C)C(C)C)cc1Cl ZINC000263655044 553190120 /nfs/dbraw/zinc/19/01/20/553190120.db2.gz FDMPHGIERXKKJM-UHFFFAOYSA-N 1 0 376.284 2.787 20 0 GFADRO COCC[NH+]1CCC(NC(=O)N(C)Cc2cccc(Br)c2)CC1 ZINC000263694505 553191493 /nfs/dbraw/zinc/19/14/93/553191493.db2.gz HHEDNYKDLFWYPR-UHFFFAOYSA-N 1 0 384.318 2.701 20 0 GFADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)c1cc(F)c(Cl)cc1Cl ZINC000263710515 553191789 /nfs/dbraw/zinc/19/17/89/553191789.db2.gz QKGITDFWBHAIBI-OAHLLOKOSA-N 1 0 390.286 2.805 20 0 GFADRO COCCC[NH+]1CCC(NC(=O)NCCc2ccccc2Br)CC1 ZINC000263747427 553192537 /nfs/dbraw/zinc/19/25/37/553192537.db2.gz IRIPOHBYMJRPAR-UHFFFAOYSA-N 1 0 398.345 2.792 20 0 GFADRO CN(C)C(=O)CC[NH+]1CCC(C(=O)Nc2cccc(Br)c2)CC1 ZINC000263784047 553193638 /nfs/dbraw/zinc/19/36/38/553193638.db2.gz ZKBJTRYJUVNEBN-UHFFFAOYSA-N 1 0 382.302 2.578 20 0 GFADRO O=S(=O)(N[C@@H]1CC12CC[NH2+]CC2)c1ccc(Br)c(Cl)c1 ZINC000367833387 563857342 /nfs/dbraw/zinc/85/73/42/563857342.db2.gz RPFUPGOSSZJUSD-GFCCVEGCSA-N 1 0 379.707 2.523 20 0 GFADRO [NH3+]CCCCNC(=O)NCc1cc(Br)ccc1Br ZINC000418038983 563896528 /nfs/dbraw/zinc/89/65/28/563896528.db2.gz HQQCMQSIZSXAGI-UHFFFAOYSA-N 1 0 379.096 2.750 20 0 GFADRO Cc1cc(Br)cc(C)c1S(=O)(=O)N(C)C1CC[NH+](C)CC1 ZINC000507005974 564215102 /nfs/dbraw/zinc/21/51/02/564215102.db2.gz FRDUHLPCMNFIRM-UHFFFAOYSA-N 1 0 375.332 2.781 20 0 GFADRO O=S(=O)(CC[NH2+][C@@H]1CCOC2(CCC2)C1)c1cccc(Br)c1 ZINC000565653337 564290369 /nfs/dbraw/zinc/29/03/69/564290369.db2.gz DSACSUDGIAJICQ-CQSZACIVSA-N 1 0 388.327 2.914 20 0 GFADRO CC(C)C[C@@H](CO)[NH2+][C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000480226130 564464958 /nfs/dbraw/zinc/46/49/58/564464958.db2.gz HCOYCHKJXSDURQ-JSGCOSHPSA-N 1 0 376.316 2.664 20 0 GFADRO CCC[C@](C)(O)C[NH2+][C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000480264611 564466406 /nfs/dbraw/zinc/46/64/06/564466406.db2.gz WDGJIDXDYRNDES-HIFRSBDPSA-N 1 0 376.316 2.808 20 0 GFADRO C[NH+](C)[C@@]1(CNC(=O)NCCc2ccccc2Br)CCSC1 ZINC000481279468 564508879 /nfs/dbraw/zinc/50/88/79/564508879.db2.gz BRRDZCVUEYDGSQ-MRXNPFEDSA-N 1 0 386.359 2.728 20 0 GFADRO C[C@@H]1CN(CC(=O)Nc2ccc(Br)c(C(F)(F)F)c2)CC[NH2+]1 ZINC000420331536 563261657 /nfs/dbraw/zinc/26/16/57/563261657.db2.gz FGGLNZIFXRZVET-SECBINFHSA-N 1 0 380.208 2.700 20 0 GFADRO C[C@@H]([NH2+]C[C@@H](O)CC(C)(C)C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000280717004 563351200 /nfs/dbraw/zinc/35/12/00/563351200.db2.gz MXXHDFHLPZMGJR-PWSUYJOCSA-N 1 0 393.347 2.544 20 0 GFADRO C[C@@H]([NH2+][C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1)C1CCOCC1 ZINC000280808529 563355063 /nfs/dbraw/zinc/35/50/63/563355063.db2.gz VKJGBBKMIOTZDW-MNOVXSKESA-N 1 0 391.331 2.562 20 0 GFADRO CC[C@@H](C)[N@H+](CCO)CC(=O)Nc1ccc(I)cc1C ZINC000312423136 563436741 /nfs/dbraw/zinc/43/67/41/563436741.db2.gz HICHXNYHEHNTBC-GFCCVEGCSA-N 1 0 390.265 2.631 20 0 GFADRO CCN(CCC[NH2+][C@@H]1CCc2sc(Br)cc21)S(C)(=O)=O ZINC000380726847 563515681 /nfs/dbraw/zinc/51/56/81/563515681.db2.gz RLPDGZXZKLFOCA-LLVKDONJSA-N 1 0 381.361 2.759 20 0 GFADRO Cc1nc(CNC(=O)N[C@H](C[NH3+])C2CCCCC2)sc1Br ZINC000418239794 563213878 /nfs/dbraw/zinc/21/38/78/563213878.db2.gz QVJDYXMIOBGXRO-LLVKDONJSA-N 1 0 375.336 2.921 20 0 GFADRO Cc1nc(CNC(=O)N(CC[NH3+])CCc2ccccc2)sc1Br ZINC000418232405 563214068 /nfs/dbraw/zinc/21/40/68/563214068.db2.gz DNYJCZJFJHDJJU-UHFFFAOYSA-N 1 0 397.342 2.927 20 0 GFADRO O=C(NCCc1ccc(Br)cc1Cl)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000418237711 563214222 /nfs/dbraw/zinc/21/42/22/563214222.db2.gz WFCONWYIKDBADL-OLZOCXBDSA-N 1 0 386.721 2.896 20 0 GFADRO COC[C@]1(CNC(=O)NC/C=C\c2ccc(Br)cc2)CCC[NH2+]1 ZINC000418238156 563214338 /nfs/dbraw/zinc/21/43/38/563214338.db2.gz AFAJQMQFUZCUHN-POKLJVKSSA-N 1 0 382.302 2.530 20 0 GFADRO C[C@H]1CCN(C(=O)NCc2nc3c(cccc3Br)[nH]2)[C@H](C[NH3+])C1 ZINC000418274727 563214643 /nfs/dbraw/zinc/21/46/43/563214643.db2.gz YHJUZZCGSRPFKH-QWRGUYRKSA-N 1 0 380.290 2.594 20 0 GFADRO CS(=O)(=O)N1CC[C@H](C[NH2+]C2CC(c3cccc(Br)c3)C2)C1 ZINC000277579621 563214655 /nfs/dbraw/zinc/21/46/55/563214655.db2.gz OKNRIDJMRJROOJ-XEBKBJJBSA-N 1 0 387.343 2.566 20 0 GFADRO CC(C)[C@](C)(NC(=O)NCCN1CC[NH2+]CC1)c1ccc(Br)cc1 ZINC000418304163 563215497 /nfs/dbraw/zinc/21/54/97/563215497.db2.gz XGEJDHJOVZICHM-SFHVURJKSA-N 1 0 397.361 2.525 20 0 GFADRO [NH3+]C[C@@H](NC(=O)N1CCC(Nc2cccc(Br)c2)CC1)C1CC1 ZINC000418390612 563216211 /nfs/dbraw/zinc/21/62/11/563216211.db2.gz BLJIEOGLRJNYJC-MRXNPFEDSA-N 1 0 381.318 2.772 20 0 GFADRO C[NH2+]C[C@H](C)CNC(=O)N(CCOC)Cc1cc(Br)cs1 ZINC000418365737 563216222 /nfs/dbraw/zinc/21/62/22/563216222.db2.gz FFODHTAKTJYQCO-NSHDSACASA-N 1 0 378.336 2.524 20 0 GFADRO O=C(NC[C@@H]1CCC[NH2+]1)N1CCC[C@H]1c1ccccc1I ZINC000418368185 563216324 /nfs/dbraw/zinc/21/63/24/563216324.db2.gz MGDGLXNOGJOYHN-WFASDCNBSA-N 1 0 399.276 2.890 20 0 GFADRO CC(C)[C@H]([NH3+])CNC(=O)N1CCO[C@H](c2ccc(Br)cc2)[C@@H]1C ZINC000418391246 563216395 /nfs/dbraw/zinc/21/63/95/563216395.db2.gz UNVXSSIHNQHTRM-MAZHCROVSA-N 1 0 384.318 2.904 20 0 GFADRO COCCN(Cc1ccc(Br)s1)C(=O)NC1CCC([NH3+])CC1 ZINC000418376821 563216432 /nfs/dbraw/zinc/21/64/32/563216432.db2.gz AOWLUJFMIUXRAF-UHFFFAOYSA-N 1 0 390.347 2.939 20 0 GFADRO [NH3+]C[C@H](NC(=O)N1CCC[C@@H]1c1ccccc1I)C1CC1 ZINC000418391147 563216507 /nfs/dbraw/zinc/21/65/07/563216507.db2.gz BUJAHZQFMTVVHZ-LSDHHAIUSA-N 1 0 399.276 2.875 20 0 GFADRO CC(C)[C@H]([NH3+])CNC(=O)N1CCO[C@@H](c2ccc(F)c(Br)c2)C1 ZINC000418384582 563216556 /nfs/dbraw/zinc/21/65/56/563216556.db2.gz KJAKZBGSZGQCQY-HUUCEWRRSA-N 1 0 388.281 2.654 20 0 GFADRO COCCN(Cc1cc(Br)cs1)C(=O)NC[C@@H]([NH3+])C(C)C ZINC000418414134 563216922 /nfs/dbraw/zinc/21/69/22/563216922.db2.gz SOGQKOSMTKGENB-CYBMUJFWSA-N 1 0 378.336 2.652 20 0 GFADRO COCC[NH2+]CCNC(=O)N(Cc1ccccc1Br)CC(C)C ZINC000418500481 563218762 /nfs/dbraw/zinc/21/87/62/563218762.db2.gz PSCFJPDULXYMEQ-UHFFFAOYSA-N 1 0 386.334 2.853 20 0 GFADRO [NH3+]C1(CNC(=O)N2CCC(Oc3cccc(Br)c3)CC2)CCC1 ZINC000418517576 563219470 /nfs/dbraw/zinc/21/94/70/563219470.db2.gz ZNODRHLRSVEJBT-UHFFFAOYSA-N 1 0 382.302 2.883 20 0 GFADRO COCCC[N@@H+]1CCCN(C(=O)Cc2cc(Br)ccc2OC)CC1 ZINC000369646053 563220500 /nfs/dbraw/zinc/22/05/00/563220500.db2.gz HBLLHYISTXGJLE-UHFFFAOYSA-N 1 0 399.329 2.571 20 0 GFADRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)NC(C)(C)COc1ncc(Cl)cc1Cl ZINC000418606491 563221427 /nfs/dbraw/zinc/22/14/27/563221427.db2.gz ZKLYUGLQDFGNOA-GWCFXTLKSA-N 1 0 375.300 2.843 20 0 GFADRO C[C@@H](NC(=O)N1CCN(c2ccc(C(F)(F)F)cc2Cl)CC1)[C@H](C)[NH3+] ZINC000418688854 563222222 /nfs/dbraw/zinc/22/22/22/563222222.db2.gz BECOSJBEIXCWKE-WDEREUQCSA-N 1 0 378.826 2.926 20 0 GFADRO CC[C@H]([NH3+])CNC(=O)N(CCc1ccc(Cl)cc1)C[C@H](O)C(F)(F)F ZINC000418699750 563222698 /nfs/dbraw/zinc/22/26/98/563222698.db2.gz BAUIJPSUCVVQNO-KBPBESRZSA-N 1 0 381.826 2.555 20 0 GFADRO Cc1c(Br)cccc1C(=O)N1CCC[C@@H](C[NH+]2CCN(C)CC2)C1 ZINC000369710446 563222735 /nfs/dbraw/zinc/22/27/35/563222735.db2.gz NQOIRSXHOHTUOO-INIZCTEOSA-N 1 0 394.357 2.857 20 0 GFADRO C[C@H](CCCC[NH3+])NC(=O)NC[C@@H](O)COc1cccc(Cl)c1Cl ZINC000418693612 563222932 /nfs/dbraw/zinc/22/29/32/563222932.db2.gz KBBWAKDSWWJGJI-VXGBXAGGSA-N 1 0 378.300 2.550 20 0 GFADRO CC[C@H]([NH3+])CNC(=O)N1CCC(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000418737122 563223751 /nfs/dbraw/zinc/22/37/51/563223751.db2.gz VEVUVBAZAZGUTR-AWEZNQCLSA-N 1 0 397.317 2.547 20 0 GFADRO [NH3+]C[C@@H]1CCCN1C(=O)C(=O)N[C@H](c1cccs1)c1ccc(Cl)cc1 ZINC000418771987 563225169 /nfs/dbraw/zinc/22/51/69/563225169.db2.gz YSJMLBDZVSWSSN-HOCLYGCPSA-N 1 0 377.897 2.557 20 0 GFADRO [NH3+]C[C@H]1CCCC[C@H]1NC(=O)C(=O)N[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000418823451 563226694 /nfs/dbraw/zinc/22/66/94/563226694.db2.gz YDHJNUJVBRPTAW-UCDYDWOKSA-N 1 0 384.307 2.599 20 0 GFADRO C[C@@H](NC(=O)C(=O)NCCC[NH2+]C1CC1)c1cc(F)c(Cl)cc1Cl ZINC000418850818 563227286 /nfs/dbraw/zinc/22/72/86/563227286.db2.gz OSRDLZFFXPIRHR-SECBINFHSA-N 1 0 376.259 2.568 20 0 GFADRO COc1cc(C[NH+]2CCC3(CC2)SCC(=O)N3C)c(SC)cc1OC ZINC000370001220 563230385 /nfs/dbraw/zinc/23/03/85/563230385.db2.gz ZIAYYJCAOWMFFF-UHFFFAOYSA-N 1 0 382.551 2.923 20 0 GFADRO C[NH+](C)CCN(C(=O)Cc1cc[nH]c(=O)c1Br)c1ccccc1 ZINC000277903707 563231501 /nfs/dbraw/zinc/23/15/01/563231501.db2.gz DCVXVBZCONCUKS-UHFFFAOYSA-N 1 0 378.270 2.687 20 0 GFADRO C[N@@H+]1CC[C@H]2CCN(Cc3nc(Cc4cccc(Br)c4)no3)C[C@@H]21 ZINC000370083356 563232654 /nfs/dbraw/zinc/23/26/54/563232654.db2.gz QPHIVSMWVJEEQV-HOCLYGCPSA-N 1 0 391.313 2.949 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)N[C@@H]2CCc3c2ccc(Cl)c3Cl)C1 ZINC000419089280 563233350 /nfs/dbraw/zinc/23/33/50/563233350.db2.gz CPKBAZGBPKKAPC-ZIBATOQPSA-N 1 0 384.307 2.683 20 0 GFADRO CCC[NH2+]CCNC(=O)C(=O)N[C@@H](c1ccsc1)c1ccc(Cl)cc1 ZINC000419126163 563233774 /nfs/dbraw/zinc/23/37/74/563233774.db2.gz MFIRZJXZJXMSML-MRXNPFEDSA-N 1 0 379.913 2.723 20 0 GFADRO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)NCC1(c2ccc(Cl)cc2Cl)CCC1 ZINC000419154315 563234486 /nfs/dbraw/zinc/23/44/86/563234486.db2.gz QDIRPYAARKXKDJ-HNNXBMFYSA-N 1 0 386.323 2.631 20 0 GFADRO C[N@@H+]1CC[C@H]2CCN(CC(=O)Nc3c(F)cc(F)cc3Br)C[C@@H]21 ZINC000370150910 563234934 /nfs/dbraw/zinc/23/49/34/563234934.db2.gz NFLVPXCFIDQPAN-HZMBPMFUSA-N 1 0 388.256 2.692 20 0 GFADRO CC[N@H+](C)Cc1cccc(CNC(=O)Cc2cc[nH]c(=O)c2Br)c1 ZINC000277976063 563234961 /nfs/dbraw/zinc/23/49/61/563234961.db2.gz IUQMMAKAJKTLGE-UHFFFAOYSA-N 1 0 392.297 2.860 20 0 GFADRO CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H]1CCSc2ccc(Cl)cc21 ZINC000419215201 563235661 /nfs/dbraw/zinc/23/56/61/563235661.db2.gz LSVMKQDPXMPMEC-ZFWWWQNUSA-N 1 0 381.929 2.594 20 0 GFADRO CCn1ccnc1CN(C(=O)CSC(F)(F)F)[C@@H]1CC12CC[NH2+]CC2 ZINC000370163925 563235827 /nfs/dbraw/zinc/23/58/27/563235827.db2.gz QZRYWTGICLSWTB-GFCCVEGCSA-N 1 0 376.448 2.627 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N[C@H](C)Cc1ccc(Cl)cc1Cl ZINC000419277466 563236136 /nfs/dbraw/zinc/23/61/36/563236136.db2.gz GNZBKONVEYYELL-XHBSWPGZSA-N 1 0 386.323 2.769 20 0 GFADRO CC[N@@H+]1CCCN(C(=O)c2cc(=O)[nH]c3c(Br)cccc23)CC1 ZINC000370208162 563236360 /nfs/dbraw/zinc/23/63/60/563236360.db2.gz ZXASJFFMNNXJPB-UHFFFAOYSA-N 1 0 378.270 2.871 20 0 GFADRO O=C(Cc1cc[nH]c(=O)c1Br)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000278048658 563238200 /nfs/dbraw/zinc/23/82/00/563238200.db2.gz SUERJPVRWAMRAX-AWEZNQCLSA-N 1 0 382.302 2.569 20 0 GFADRO C[C@@H](NC(=O)C(=O)NCC[C@@H]1CCC[NH2+]C1)c1c(Cl)ccc(F)c1Cl ZINC000419347345 563238463 /nfs/dbraw/zinc/23/84/63/563238463.db2.gz WLCWLFSCIRRRTN-MNOVXSKESA-N 1 0 390.286 2.816 20 0 GFADRO C[NH2+]CC1CCN(C(=O)[C@H]2CCCN(c3ccc(Br)cn3)C2)CC1 ZINC000370268147 563238703 /nfs/dbraw/zinc/23/87/03/563238703.db2.gz WBTOSVGUUDTLFA-HNNXBMFYSA-N 1 0 395.345 2.519 20 0 GFADRO O=C(Nc1ccccc1Br)N1CCC[C@@H]1C[N@H+]1CCC[C@H]1CO ZINC000370353492 563241304 /nfs/dbraw/zinc/24/13/04/563241304.db2.gz OGHBAPFUIGMZQP-KGLIPLIRSA-N 1 0 382.302 2.902 20 0 GFADRO COc1cc(Br)ccc1CCCN1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000370359959 563241533 /nfs/dbraw/zinc/24/15/33/563241533.db2.gz WZLAGWQUDZIMOY-ZWKOTPCHSA-N 1 0 397.357 2.921 20 0 GFADRO C[C@H](Cc1c(Cl)cccc1Cl)NC(=O)C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000419568024 563242311 /nfs/dbraw/zinc/24/23/11/563242311.db2.gz KQBHGKRVSGWAKP-BDJLRTHQSA-N 1 0 386.323 2.674 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1CN1CCCSCC1 ZINC000295375798 563244422 /nfs/dbraw/zinc/24/44/22/563244422.db2.gz JZOYMIMFJWNRJX-LBPRGKRZSA-N 1 0 387.343 2.901 20 0 GFADRO Cc1ccc(CC(=O)N2CCC[N@H+](CC(C)(C)O)CC2)cc1Br ZINC000370476217 563245066 /nfs/dbraw/zinc/24/50/66/563245066.db2.gz LPCGMJYDOMITRB-UHFFFAOYSA-N 1 0 383.330 2.605 20 0 GFADRO CSc1ccc(NC(=O)C(=O)NCC2CC[NH+](C3CC3)CC2)cc1Cl ZINC000278262715 563247231 /nfs/dbraw/zinc/24/72/31/563247231.db2.gz WSDCEWVNGNGXGQ-UHFFFAOYSA-N 1 0 381.929 2.991 20 0 GFADRO C[NH+](C)C[C@H](NCc1ccc(S(N)(=O)=O)c(Cl)c1)c1ccc(F)cc1 ZINC000419711019 563247488 /nfs/dbraw/zinc/24/74/88/563247488.db2.gz RGRKXVWCECFVEK-INIZCTEOSA-N 1 0 385.892 2.519 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+][C@@H]1CCC[C@@H]1CCO ZINC000295438869 563247596 /nfs/dbraw/zinc/24/75/96/563247596.db2.gz PGBRJBRJTJDQQP-WOSRLPQWSA-N 1 0 399.329 2.603 20 0 GFADRO Ic1ccc(C[NH2+]CCc2cn3c(n2)SCC3)cc1 ZINC000295464845 563249137 /nfs/dbraw/zinc/24/91/37/563249137.db2.gz RCBYLACELFXBMJ-UHFFFAOYSA-N 1 0 385.274 2.926 20 0 GFADRO CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000419876917 563252236 /nfs/dbraw/zinc/25/22/36/563252236.db2.gz FMBGLXGUBSTFDL-TZMCWYRMSA-N 1 0 386.323 2.846 20 0 GFADRO O=C(NCC[C@@H]1CC[NH2+]C1)C(=O)N(Cc1ccc(Cl)c(Cl)c1)C1CC1 ZINC000419914625 563252354 /nfs/dbraw/zinc/25/23/54/563252354.db2.gz OIUSUVTYGUUBCK-LBPRGKRZSA-N 1 0 384.307 2.600 20 0 GFADRO CCn1cc(Br)cc1C(=O)NC[C@@H]1CCC[C@H]1[NH+]1CCOCC1 ZINC000370760227 563254174 /nfs/dbraw/zinc/25/41/74/563254174.db2.gz NIDLILFONZFLHH-DZGCQCFKSA-N 1 0 384.318 2.501 20 0 GFADRO O=C(N[C@H]1CCCC[NH2+]C1)C(=O)N(Cc1ccc(Cl)c(Cl)c1)C1CC1 ZINC000420005476 563256107 /nfs/dbraw/zinc/25/61/07/563256107.db2.gz WLUBMVQTMDWHSZ-ZDUSSCGKSA-N 1 0 384.307 2.743 20 0 GFADRO Cc1cc2c(o1)c(C(=O)NC[C@](C)(O)CC[NH+](C)C)ccc2Br ZINC000419996468 563256115 /nfs/dbraw/zinc/25/61/15/563256115.db2.gz LAEKUHMGEWHFPW-QGZVFWFLSA-N 1 0 383.286 2.936 20 0 GFADRO CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1CCC(Sc2ccc(Cl)cc2)CC1 ZINC000420024835 563256742 /nfs/dbraw/zinc/25/67/42/563256742.db2.gz ZHIHGRBHBCCPJV-MRXNPFEDSA-N 1 0 383.945 2.523 20 0 GFADRO C[C@@H]1C[N@H+](CCCNC(=O)Cc2cc(F)ccc2Br)CCCO1 ZINC000278497611 563258600 /nfs/dbraw/zinc/25/86/00/563258600.db2.gz LJPQPGODLSVVDX-CYBMUJFWSA-N 1 0 387.293 2.748 20 0 GFADRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N(Cc1ccc(Cl)c(Cl)c1)C1CC1 ZINC000420125813 563258747 /nfs/dbraw/zinc/25/87/47/563258747.db2.gz TWKZRMFOSLBDBS-ZBEGNZNMSA-N 1 0 384.307 2.599 20 0 GFADRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)N(Cc1ccc(Cl)c(Cl)c1)C1CC1 ZINC000420117248 563258945 /nfs/dbraw/zinc/25/89/45/563258945.db2.gz HSOHQEHDTOELLP-BZNIZROVSA-N 1 0 384.307 2.599 20 0 GFADRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)N1CCc2cc(Cl)cc(Cl)c2[C@H]1C ZINC000420110484 563259069 /nfs/dbraw/zinc/25/90/69/563259069.db2.gz ZOWGERBSLJNJDR-HFAKWTLXSA-N 1 0 384.307 2.553 20 0 GFADRO C[C@@H]1c2cc(Cl)c(Cl)cc2CCN1C(=O)C(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000420191858 563259409 /nfs/dbraw/zinc/25/94/09/563259409.db2.gz QJWCVRWWLFVIIL-WZRBSPASSA-N 1 0 384.307 2.683 20 0 GFADRO O=C(CN1CC[NH+](C[C@@H]2CCSC2)CC1)Nc1ccc(Br)cc1 ZINC000278506479 563259503 /nfs/dbraw/zinc/25/95/03/563259503.db2.gz WHGQOHMXPSOQQQ-AWEZNQCLSA-N 1 0 398.370 2.758 20 0 GFADRO [NH3+]C[C@H]1CC[C@H](NC(=O)C(=O)N(Cc2cccs2)Cc2cccs2)C1 ZINC000420190750 563259700 /nfs/dbraw/zinc/25/97/00/563259700.db2.gz HGIYSOWGDFZBPM-KBPBESRZSA-N 1 0 377.535 2.582 20 0 GFADRO C[C@H](NC(=O)c1ccc(I)cc1F)C1=CC[N@H+](C)CC1 ZINC000295759381 563261521 /nfs/dbraw/zinc/26/15/21/563261521.db2.gz OSLJPZVTFVJNQL-JTQLQIEISA-N 1 0 388.224 2.811 20 0 GFADRO O=C1[C@H](N2CCC[C@@]3(CC[NH2+]C3)C2)CCN1c1cccc(Br)c1 ZINC000420348380 563262214 /nfs/dbraw/zinc/26/22/14/563262214.db2.gz LETVBYPURRHICN-AEFFLSMTSA-N 1 0 378.314 2.630 20 0 GFADRO CC1(C)C[NH2+]CC[C@H]1NCc1nc(Cc2cccc(Br)c2)no1 ZINC000420357307 563262842 /nfs/dbraw/zinc/26/28/42/563262842.db2.gz HFCFPEZCVXAXHH-CQSZACIVSA-N 1 0 379.302 2.901 20 0 GFADRO C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NCC(=O)Nc1c(F)cc(F)cc1Br ZINC000420358218 563263235 /nfs/dbraw/zinc/26/32/35/563263235.db2.gz FDAZMLRRWXGIAQ-RFXMVYNHSA-N 1 0 376.245 2.642 20 0 GFADRO O=S(=O)(c1ccc2cc(Br)ccc2c1)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000420445838 563263624 /nfs/dbraw/zinc/26/36/24/563263624.db2.gz GEEQLAZDJIYYOG-WMLDXEAASA-N 1 0 395.322 2.975 20 0 GFADRO O=S(=O)(c1ccc(C(F)(F)F)cc1F)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420456184 563263752 /nfs/dbraw/zinc/26/37/52/563263752.db2.gz GSAUPKWFEGIVJM-RISCZKNCSA-N 1 0 380.407 2.997 20 0 GFADRO COc1cc(C[NH2+]C2CCC(N3CCCS3(=O)=O)CC2)ccc1SC ZINC000371084991 563264488 /nfs/dbraw/zinc/26/44/88/563264488.db2.gz IEKJTYYOXIHWHD-UHFFFAOYSA-N 1 0 384.567 2.853 20 0 GFADRO Cc1cc(C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)ccc1Br ZINC000371089291 563265127 /nfs/dbraw/zinc/26/51/27/563265127.db2.gz RDAXOSZDBHLRKK-INIZCTEOSA-N 1 0 380.330 2.610 20 0 GFADRO Cc1cc(Br)ccc1S(=O)(=O)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420472492 563265119 /nfs/dbraw/zinc/26/51/19/563265119.db2.gz ZLSUMHWJOVAMJI-DZGCQCFKSA-N 1 0 387.343 2.910 20 0 GFADRO Cc1cc(Br)ccc1S(=O)(=O)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420472495 563265131 /nfs/dbraw/zinc/26/51/31/563265131.db2.gz ZLSUMHWJOVAMJI-HIFRSBDPSA-N 1 0 387.343 2.910 20 0 GFADRO COC(=O)c1coc([C@H](C)[NH2+]C[C@H](O)COc2ccccc2Br)c1 ZINC000278662897 563265769 /nfs/dbraw/zinc/26/57/69/563265769.db2.gz ITUJEXSAZUHNIF-AAEUAGOBSA-N 1 0 398.253 2.919 20 0 GFADRO CN(C)c1ncc(C[NH2+][C@@H]2CCN(c3cccc(Br)c3)C2)cn1 ZINC000278691228 563267172 /nfs/dbraw/zinc/26/71/72/563267172.db2.gz IVEHWNULXSCQLO-OAHLLOKOSA-N 1 0 376.302 2.674 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]CCc1ccncc1 ZINC000295919012 563268108 /nfs/dbraw/zinc/26/81/08/563268108.db2.gz ZYJXKTXSBARPBI-ZDUSSCGKSA-N 1 0 392.297 2.690 20 0 GFADRO O=C(NC[C@@H]1CCC[C@@H]1[NH+]1CCOCC1)[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000371268365 563269490 /nfs/dbraw/zinc/26/94/90/563269490.db2.gz JNXIUGXWAPAKJH-AFAVFJNCSA-N 1 0 387.307 2.644 20 0 GFADRO COc1cc(C[NH2+]C[C@]2(O)CCO[C@@H]2C)cc(Br)c1OC(F)F ZINC000278778387 563269528 /nfs/dbraw/zinc/26/95/28/563269528.db2.gz YVNXQFRTENMZMU-RFAUZJTJSA-N 1 0 396.228 2.689 20 0 GFADRO O=S(=O)(c1cc(F)ccc1OC(F)F)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000420654895 563270156 /nfs/dbraw/zinc/27/01/56/563270156.db2.gz BOMWORUEWWHLAC-ZDUSSCGKSA-N 1 0 378.416 2.676 20 0 GFADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C[C@H](O)c1ccccc1Br ZINC000278792092 563270364 /nfs/dbraw/zinc/27/03/64/563270364.db2.gz YEUJKKKJZLKFEO-KSSFIOAISA-N 1 0 383.330 2.668 20 0 GFADRO O=C1C[C@H]([C@H]2CCCC[N@H+]2Cc2cc3c(cc2Br)OCO3)CN1 ZINC000371307600 563271597 /nfs/dbraw/zinc/27/15/97/563271597.db2.gz GPIWRZRCFOBUDM-SMDDNHRTSA-N 1 0 381.270 2.668 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000278809097 563271664 /nfs/dbraw/zinc/27/16/64/563271664.db2.gz XECCRRQRILZXDB-INIZCTEOSA-N 1 0 394.313 2.829 20 0 GFADRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1ncsc1C(F)(F)F ZINC000278822553 563271955 /nfs/dbraw/zinc/27/19/55/563271955.db2.gz IZSQQPPZDPPJGJ-NEPJUHHUSA-N 1 0 377.432 2.660 20 0 GFADRO Cc1cc(NC(=O)N2CC[N@H+](C3CCOCC3)C[C@H]2C)cnc1Br ZINC000278841780 563272742 /nfs/dbraw/zinc/27/27/42/563272742.db2.gz KZYDYPGCDODNHQ-CYBMUJFWSA-N 1 0 397.317 2.870 20 0 GFADRO C[C@@H](COc1ccc(Cl)c(Cl)c1)[NH2+]C1CCC2(CC1)NC(=O)NC2=O ZINC000296057304 563272771 /nfs/dbraw/zinc/27/27/71/563272771.db2.gz PANOGLDFQBSCSD-KCCQOBMMSA-N 1 0 386.279 2.871 20 0 GFADRO CN(C(C)(C)C[NH+]1CCCC1)S(=O)(=O)c1cc(F)ccc1OC(F)F ZINC000420695124 563275328 /nfs/dbraw/zinc/27/53/28/563275328.db2.gz DFIQJFODHSNNMN-UHFFFAOYSA-N 1 0 380.432 2.922 20 0 GFADRO CC[C@H](NC(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1cccs1)[C@@H](O)C(F)(F)F ZINC000371384050 563276255 /nfs/dbraw/zinc/27/62/55/563276255.db2.gz IGCHPIBLQOFYMQ-CDGCEXEKSA-N 1 0 379.448 2.742 20 0 GFADRO CC(C)(C)OC(=O)N1CCO[C@H](C[NH2+]Cc2cncc(Br)c2)C1 ZINC000296195334 563277959 /nfs/dbraw/zinc/27/79/59/563277959.db2.gz CODBUMYPFRHFHA-CQSZACIVSA-N 1 0 386.290 2.570 20 0 GFADRO C[N@@H+]1CCCC12CCN(C(=O)c1ccccc1I)CC2 ZINC000371493914 563279370 /nfs/dbraw/zinc/27/93/70/563279370.db2.gz VPRHSMDFUKMZOI-UHFFFAOYSA-N 1 0 384.261 2.992 20 0 GFADRO CN(C[C@@H]1CCC[N@@H+]1C)S(=O)(=O)c1c(Cl)cc(F)cc1Br ZINC000420742472 563281579 /nfs/dbraw/zinc/28/15/79/563281579.db2.gz UZSOYLMTTIMDLV-JTQLQIEISA-N 1 0 399.713 2.956 20 0 GFADRO CN(C[C@H]1CCC[N@@H+]1C)S(=O)(=O)c1cccc(Cl)c1Br ZINC000420745608 563282153 /nfs/dbraw/zinc/28/21/53/563282153.db2.gz YXTFOSCVUIMXNX-SNVBAGLBSA-N 1 0 381.723 2.817 20 0 GFADRO C[NH+](C)C1CCC(NS(=O)(=O)CCc2ccccc2Br)CC1 ZINC000420749795 563282759 /nfs/dbraw/zinc/28/27/59/563282759.db2.gz SHKYTJQKGJTKHX-UHFFFAOYSA-N 1 0 389.359 2.784 20 0 GFADRO CN1CC[NH+](C[C@@H]2CCCN(C(=O)NCCc3ccc(Cl)s3)C2)CC1 ZINC000371672640 563284311 /nfs/dbraw/zinc/28/43/11/563284311.db2.gz YYZYXXWMTUVJGV-HNNXBMFYSA-N 1 0 384.977 2.613 20 0 GFADRO O=S1(=O)CC[C@](O)(C[NH2+][C@H]2CCCc3cc(SC(F)F)ccc32)C1 ZINC000296409892 563286579 /nfs/dbraw/zinc/28/65/79/563286579.db2.gz KVAADARWRFBUTE-HOCLYGCPSA-N 1 0 377.478 2.518 20 0 GFADRO C[NH+](C)[C@]1(CNC(=O)c2c(F)ccc(Br)c2F)CCSC1 ZINC000279197501 563286938 /nfs/dbraw/zinc/28/69/38/563286938.db2.gz NQQCPQFXWPMVNA-AWEZNQCLSA-N 1 0 379.270 2.894 20 0 GFADRO NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)c3nc(Cl)cs3)cc2)C1 ZINC000279254539 563289888 /nfs/dbraw/zinc/28/98/88/563289888.db2.gz PVUXDTWNSPQCQM-GFCCVEGCSA-N 1 0 378.885 2.746 20 0 GFADRO CC(C)C[C@H]([NH2+]C[C@@]1(O)CCS(=O)(=O)C1)c1cccc(C(F)(F)F)c1 ZINC000296565967 563292670 /nfs/dbraw/zinc/29/26/70/563292670.db2.gz SONOTHQMEBMMPI-HOTGVXAUSA-N 1 0 379.444 2.932 20 0 GFADRO CNC(=O)[C@@H]1CC[N@H+](CC(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000420980348 563292812 /nfs/dbraw/zinc/29/28/12/563292812.db2.gz UPZYNMJZHXEPQC-CZUORRHYSA-N 1 0 384.307 2.725 20 0 GFADRO CN(Cc1ccccc1Br)C(=O)C[N@@H+]1CC[C@@H](O)CC12CCC2 ZINC000420990473 563293425 /nfs/dbraw/zinc/29/34/25/563293425.db2.gz FUIKKVGDPNPBAS-OAHLLOKOSA-N 1 0 381.314 2.787 20 0 GFADRO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)CN(C)C[C@H]1CCC[N@@H+]1C ZINC000420999704 563293557 /nfs/dbraw/zinc/29/35/57/563293557.db2.gz JPAZEZTTWHBGQS-GFCCVEGCSA-N 1 0 388.295 2.745 20 0 GFADRO Cc1cc(S(=O)(=O)N2C[C@@H](C[NH+](C)C)Oc3ccccc32)cnc1Cl ZINC000372016657 563294501 /nfs/dbraw/zinc/29/45/01/563294501.db2.gz HBQRMBYSRFRECG-CYBMUJFWSA-N 1 0 381.885 2.561 20 0 GFADRO COC1([C@H](C)[NH2+]CCS(=O)(=O)c2cc(Cl)ccc2Cl)CCOCC1 ZINC000421040853 563294595 /nfs/dbraw/zinc/29/45/95/563294595.db2.gz XSYWCINYRYCURH-LBPRGKRZSA-N 1 0 396.336 2.941 20 0 GFADRO CCn1ccnc1CNC(=O)NC[C@H](C)Oc1cccc(Br)c1 ZINC000296654847 563295567 /nfs/dbraw/zinc/29/55/67/563295567.db2.gz YYJIKZHYCKVCCS-LBPRGKRZSA-N 1 0 381.274 2.932 20 0 GFADRO O=C(NCC[N@@H+]1CCCOCC1)Nc1ccc(Br)c(C2CC2)n1 ZINC000296667300 563296063 /nfs/dbraw/zinc/29/60/63/563296063.db2.gz FMKPGRGVLKCBBS-UHFFFAOYSA-N 1 0 383.290 2.565 20 0 GFADRO CC[C@@H](NC(=O)NC1CC[NH+](Cc2ccsc2)CC1)[C@H](O)C(F)(F)F ZINC000372319646 563301991 /nfs/dbraw/zinc/30/19/91/563301991.db2.gz VYCKGQLXBVHFAU-KGLIPLIRSA-N 1 0 379.448 2.714 20 0 GFADRO C[N@@H+]1CC[C@@H](CNC(=O)c2cccc(Br)n2)[C@@H]1c1cccnc1 ZINC000372410737 563305519 /nfs/dbraw/zinc/30/55/19/563305519.db2.gz YFLZOBNPUOXFEF-BBRMVZONSA-N 1 0 375.270 2.662 20 0 GFADRO O=C(NCC[NH+]1CCC(O)CC1)c1cccc2cccc(Br)c21 ZINC000296902465 563307643 /nfs/dbraw/zinc/30/76/43/563307643.db2.gz KNOHQCSTKYOCHZ-UHFFFAOYSA-N 1 0 377.282 2.789 20 0 GFADRO CCCN1C[C@H](C[NH2+]Cc2cnc3c(C)cc(Br)cn23)CC1=O ZINC000421345259 563308117 /nfs/dbraw/zinc/30/81/17/563308117.db2.gz AFWATUFMAYDSEB-ZDUSSCGKSA-N 1 0 379.302 2.753 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+]CC1(CC(N)=O)CC1 ZINC000421353447 563308579 /nfs/dbraw/zinc/30/85/79/563308579.db2.gz SUIDTKPILWRMJQ-UHFFFAOYSA-N 1 0 377.286 2.688 20 0 GFADRO C[C@@H]1C[C@@H](CO)C[N@H+](Cc2ccc(Br)cc2N2CCOCC2)C1 ZINC000421362955 563308921 /nfs/dbraw/zinc/30/89/21/563308921.db2.gz OMAWCTGCHVRFSM-HUUCEWRRSA-N 1 0 383.330 2.736 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C[N@@H+](C[C@H](O)CO)C(C)C ZINC000421403393 563309666 /nfs/dbraw/zinc/30/96/66/563309666.db2.gz FGRSTJQNASJLIS-KRWDZBQOSA-N 1 0 382.302 2.507 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)C[N@H+]1CC[C@@]2(C1)CCCN(C)C2=O ZINC000372557729 563311307 /nfs/dbraw/zinc/31/13/07/563311307.db2.gz OQZQMQXBLHUQKM-GOSISDBHSA-N 1 0 394.313 2.640 20 0 GFADRO COc1cc(Br)c(C[N@@H+]2CC[C@@]3(C2)CCCN(C)C3=O)c(OC)c1 ZINC000372638557 563313253 /nfs/dbraw/zinc/31/32/53/563313253.db2.gz JUEGZQCYDZTPGP-GOSISDBHSA-N 1 0 397.313 2.911 20 0 GFADRO CC(=O)N1CCC[C@H](C[NH2+]Cc2cc(Br)c3c(c2)OCCO3)C1 ZINC000279878397 563313903 /nfs/dbraw/zinc/31/39/03/563313903.db2.gz UJUKHIJLVZFOAP-CYBMUJFWSA-N 1 0 383.286 2.568 20 0 GFADRO CCOC(=O)Cc1cnc(NC(=O)NC[C@H](c2cccs2)[NH+](C)C)s1 ZINC000297153482 563317461 /nfs/dbraw/zinc/31/74/61/563317461.db2.gz KDPMGLZXAIFJBC-GFCCVEGCSA-N 1 0 382.511 2.735 20 0 GFADRO CCn1c(SCC(=O)N(C)C[C@H]2CCC[N@@H+]2C)nnc1-c1cccs1 ZINC000421707412 563319490 /nfs/dbraw/zinc/31/94/90/563319490.db2.gz XIBPECVMBUMOJJ-CYBMUJFWSA-N 1 0 379.555 2.671 20 0 GFADRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)c1cnn(-c2ccc(Br)cc2)c1 ZINC000421705791 563319861 /nfs/dbraw/zinc/31/98/61/563319861.db2.gz SEMAGMKWXYHUTL-MRXNPFEDSA-N 1 0 377.286 2.801 20 0 GFADRO C[N@@H+]1CCC[C@]2(CCN(C(=O)NCc3ccc(O)c(Br)c3)C2)C1 ZINC000297222157 563320078 /nfs/dbraw/zinc/32/00/78/563320078.db2.gz HROXUWADQYQKQY-KRWDZBQOSA-N 1 0 382.302 2.782 20 0 GFADRO O=C(NCC1CC[NH2+]CC1)c1nn(-c2ccc(F)cc2)cc1Br ZINC000297220349 563320240 /nfs/dbraw/zinc/32/02/40/563320240.db2.gz NYRWXPYWPHLPMX-UHFFFAOYSA-N 1 0 381.249 2.503 20 0 GFADRO CCC[N@H+](C)C[C@H]1CCN(C(=O)Nc2nc3cc(Br)ccn3n2)C1 ZINC000297279539 563322082 /nfs/dbraw/zinc/32/20/82/563322082.db2.gz FQUCPLUGRVUEMG-GFCCVEGCSA-N 1 0 395.305 2.687 20 0 GFADRO CN(C[C@H](O)c1ccccc1Br)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000297277069 563322105 /nfs/dbraw/zinc/32/21/05/563322105.db2.gz GJHZQYHKIXUWSW-BBWFWOEESA-N 1 0 396.329 2.751 20 0 GFADRO O=C(c1ccc(I)cc1Cl)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000372928299 563322727 /nfs/dbraw/zinc/32/27/27/563322727.db2.gz ZSUIIRZOBHAXFO-ZANVPECISA-N 1 0 390.652 2.769 20 0 GFADRO O=C(NC[C@H](CO)Cc1cccc(Br)c1)[C@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC000372936283 563322910 /nfs/dbraw/zinc/32/29/10/563322910.db2.gz VQYGIXRYWSFVSB-RYRKJORJSA-N 1 0 395.341 2.591 20 0 GFADRO C[C@H](NC(=O)Nc1ccnn1CC[NH+](C)C)c1nc(C(F)(F)F)cs1 ZINC000297338647 563323674 /nfs/dbraw/zinc/32/36/74/563323674.db2.gz JLLZMRREPSCOJM-VIFPVBQESA-N 1 0 376.408 2.803 20 0 GFADRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)Nc1nc2cc(Br)ccn2n1 ZINC000297368465 563324971 /nfs/dbraw/zinc/32/49/71/563324971.db2.gz SYZWQYAZRRUMOY-NSHDSACASA-N 1 0 395.305 2.686 20 0 GFADRO C[C@@H]1CCN(C(=O)NCC2CC[NH+](Cc3cccs3)CC2)CC[S@@]1=O ZINC000297389049 563325751 /nfs/dbraw/zinc/32/57/51/563325751.db2.gz WUYZUDHMOPNOGY-BZQUYTCOSA-N 1 0 383.583 2.513 20 0 GFADRO CC(C)[C@@H]1OCCC[C@H]1C[NH2+]C1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000373141281 563330043 /nfs/dbraw/zinc/33/00/43/563330043.db2.gz PHUNWFWETJSNKY-YJBOKZPZSA-N 1 0 386.583 2.942 20 0 GFADRO CCOc1cc(CN2CCC3(CNC(=O)C3)CC2)cc(Br)c1O ZINC000297594570 563330125 /nfs/dbraw/zinc/33/01/25/563330125.db2.gz FIVCKJMMMICLLB-UHFFFAOYSA-N 1 0 383.286 2.656 20 0 GFADRO COc1cc(Br)c(C[NH2+][C@H]2CCO[C@@]3(CCOC3)C2)c(OC)c1 ZINC000373153196 563330737 /nfs/dbraw/zinc/33/07/37/563330737.db2.gz LTCKGUIYYKNGOX-SJCJKPOMSA-N 1 0 386.286 2.894 20 0 GFADRO O=C(NC1CC[NH+](CC2(O)CCCCC2)CC1)c1ccoc1Br ZINC000373196201 563331457 /nfs/dbraw/zinc/33/14/57/563331457.db2.gz SXRXCVNTMDCQBO-UHFFFAOYSA-N 1 0 385.302 2.932 20 0 GFADRO C[NH+]1CCC(n2ccc(NC(=O)c3cc(F)ccc3Br)n2)CC1 ZINC000373291336 563334158 /nfs/dbraw/zinc/33/41/58/563334158.db2.gz DXMKZAWZPWPLAO-UHFFFAOYSA-N 1 0 381.249 3.304 20 0 GFADRO OC[C@H](C[NH2+]Cc1nc(-c2ccc(Br)cc2)c[nH]1)[C@H]1CCOC1 ZINC000280377190 563334283 /nfs/dbraw/zinc/33/42/83/563334283.db2.gz VHLHHDJZRMLCFG-KBPBESRZSA-N 1 0 380.286 2.574 20 0 GFADRO CSc1ccccc1S(=O)(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000373435662 563338057 /nfs/dbraw/zinc/33/80/57/563338057.db2.gz KXDCNZNVHWIPOA-YJBOKZPZSA-N 1 0 377.535 2.775 20 0 GFADRO O=C(NCCCCn1cc(Br)cn1)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000373433674 563338190 /nfs/dbraw/zinc/33/81/90/563338190.db2.gz WHQWSXPOQPUSNI-OAHLLOKOSA-N 1 0 398.349 2.742 20 0 GFADRO COCCOCC[NH2+][C@@H](CO)c1ccc(Br)cc1C(F)(F)F ZINC000280536483 563341924 /nfs/dbraw/zinc/34/19/24/563341924.db2.gz PIVAZJXQHUEAMY-ZDUSSCGKSA-N 1 0 386.208 2.754 20 0 GFADRO C[C@H](N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000373560059 563342300 /nfs/dbraw/zinc/34/23/00/563342300.db2.gz HNVPJBLVVMEWDZ-SDDRHHMPSA-N 1 0 392.352 2.918 20 0 GFADRO C[C@@H]1C[C@@H](C)N(CCS(=O)(=O)c2cccc(Br)c2)C[C@@H]1C[NH3+] ZINC000422640087 563345277 /nfs/dbraw/zinc/34/52/77/563345277.db2.gz UWVALKRWLXYBEK-MCIONIFRSA-N 1 0 389.359 2.528 20 0 GFADRO CC[NH+](CC)CCN(CCOC)C(=O)c1nc(Br)sc1C ZINC000298207305 563347657 /nfs/dbraw/zinc/34/76/57/563347657.db2.gz WFWKHUCDNXEUJF-UHFFFAOYSA-N 1 0 378.336 2.644 20 0 GFADRO CCOc1cc(C[NH2+]CCS(=O)(=O)C(C)(C)C)cc(Br)c1O ZINC000298234721 563348472 /nfs/dbraw/zinc/34/84/72/563348472.db2.gz BRXPNAHVQMHQNK-UHFFFAOYSA-N 1 0 394.331 2.856 20 0 GFADRO CN(C[C@H](O)c1ccccc1Br)C(=O)NCC1([NH+](C)C)CCC1 ZINC000298320388 563351198 /nfs/dbraw/zinc/35/11/98/563351198.db2.gz NYUPDIMRQMNLRT-HNNXBMFYSA-N 1 0 384.318 2.608 20 0 GFADRO C[C@H]([NH3+])[C@H](Cc1ccccc1)NCCNC(=O)c1cccc(Br)c1 ZINC000422958210 563351625 /nfs/dbraw/zinc/35/16/25/563351625.db2.gz XBUYMMWGHJXWGC-KSSFIOAISA-N 1 0 390.325 2.727 20 0 GFADRO FC(F)Oc1ccc(Br)cc1CN[C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000422944298 563351673 /nfs/dbraw/zinc/35/16/73/563351673.db2.gz LIIZCOFCJISMTM-LSDHHAIUSA-N 1 0 391.256 2.907 20 0 GFADRO CN(Cc1cccc(Cl)c1Cl)C(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000423000223 563352264 /nfs/dbraw/zinc/35/22/64/563352264.db2.gz UUKLMMNZFOSEJY-WHOFXGATSA-N 1 0 384.307 2.538 20 0 GFADRO C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)C(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000423085778 563354387 /nfs/dbraw/zinc/35/43/87/563354387.db2.gz KNIYQSMLYAYFOU-FRRDWIJNSA-N 1 0 386.323 2.956 20 0 GFADRO COc1cc(I)c(Cl)cc1CN[C@@H]1CCC[C@@H]1[NH3+] ZINC000423092580 563354617 /nfs/dbraw/zinc/35/46/17/563354617.db2.gz CKVPAGCQYYOHQM-NWDGAFQWSA-N 1 0 380.657 2.923 20 0 GFADRO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N[C@H](C)c1ccc(Br)cn1 ZINC000280788015 563354750 /nfs/dbraw/zinc/35/47/50/563354750.db2.gz HIRDOWATTGRJQC-MLGOLLRUSA-N 1 0 384.318 2.815 20 0 GFADRO C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000423080992 563354721 /nfs/dbraw/zinc/35/47/21/563354721.db2.gz CDAIIUZCPBZUTN-JHJVBQTASA-N 1 0 384.307 2.581 20 0 GFADRO Cc1nn(CCS(C)(=O)=O)c(C)c1C[N@H+]1C[C@@H](c2ccsc2)C[C@H]1C ZINC000373898975 563355020 /nfs/dbraw/zinc/35/50/20/563355020.db2.gz IIRYNNQHVSHGNZ-DYVFJYSZSA-N 1 0 381.567 2.984 20 0 GFADRO C[C@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000423109547 563355641 /nfs/dbraw/zinc/35/56/41/563355641.db2.gz HQAQOKNHJRQMAF-BNOWGMLFSA-N 1 0 384.307 2.581 20 0 GFADRO CCOC(=O)[C@@H]1NCC[C@@H]1[NH2+][C@H](CCOC)c1ccc(Cl)c(Cl)c1 ZINC000423111112 563356209 /nfs/dbraw/zinc/35/62/09/563356209.db2.gz VVEOEKLFIAXAEM-OWCLPIDISA-N 1 0 375.296 2.954 20 0 GFADRO [NH3+]CC1(CC(=O)N2CCC(C(=O)Nc3ccccc3Br)CC2)CC1 ZINC000423132912 563356724 /nfs/dbraw/zinc/35/67/24/563356724.db2.gz PTSCRBNURXDZIS-UHFFFAOYSA-N 1 0 394.313 2.755 20 0 GFADRO C[C@H]([NH2+]C[C@@H](CO)[C@H]1CCOC1)c1ccccc1I ZINC000280836580 563356848 /nfs/dbraw/zinc/35/68/48/563356848.db2.gz LMNWNAIXYJIFNC-AVGNSLFASA-N 1 0 375.250 2.587 20 0 GFADRO C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)NCC1([S@@](C)=O)CCC1 ZINC000280854198 563357400 /nfs/dbraw/zinc/35/74/00/563357400.db2.gz WYEFJALCPARWGB-RUZDIDTESA-N 1 0 385.961 2.714 20 0 GFADRO COc1ccc(Br)cc1C[C@H](CO)C[NH2+][C@H](C)c1cnccc1N ZINC000423163415 563357698 /nfs/dbraw/zinc/35/76/98/563357698.db2.gz RDDSFOQHFQRKGR-OLZOCXBDSA-N 1 0 394.313 2.767 20 0 GFADRO COc1ccc(C[C@@H](CO)CN[C@H](C)[C@@H]2CCCC[NH2+]2)cc1Br ZINC000423165763 563357848 /nfs/dbraw/zinc/35/78/48/563357848.db2.gz UVHDXTKIMWSKIM-UNEWFSDZSA-N 1 0 385.346 2.729 20 0 GFADRO CNC(=O)c1ccc(C[NH+]2CCC(n3cc(Br)cn3)CC2)cc1 ZINC000374011493 563358572 /nfs/dbraw/zinc/35/85/72/563358572.db2.gz YQIXIHWBJATDLP-UHFFFAOYSA-N 1 0 377.286 2.842 20 0 GFADRO CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000423184100 563358695 /nfs/dbraw/zinc/35/86/95/563358695.db2.gz MWGQJHDPAYDKDX-JSGCOSHPSA-N 1 0 386.323 2.785 20 0 GFADRO CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000423195011 563358809 /nfs/dbraw/zinc/35/88/09/563358809.db2.gz XDRBEZKVKORBIR-OCCSQVGLSA-N 1 0 386.323 2.928 20 0 GFADRO CCn1ccnc1[C@@H](NCC[C@H](C)[NH3+])c1ccc(I)cc1 ZINC000423226947 563359649 /nfs/dbraw/zinc/35/96/49/563359649.db2.gz SWQQFRBLWZNBMG-WFASDCNBSA-N 1 0 398.292 2.924 20 0 GFADRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(CS(=O)(=O)NC(C)C)cc2)[C@H]1SC ZINC000298569649 563360332 /nfs/dbraw/zinc/36/03/32/563360332.db2.gz WWEKZIWSESJQES-KZNAEPCWSA-N 1 0 386.583 2.513 20 0 GFADRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N1CCc2cc(Cl)cc(Cl)c2C1 ZINC000423482496 563361522 /nfs/dbraw/zinc/36/15/22/563361522.db2.gz RODHRMPTLCIPAX-INIZCTEOSA-N 1 0 386.323 2.710 20 0 GFADRO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N(C)[C@@H](C)c1ccccc1Br ZINC000423572042 563361835 /nfs/dbraw/zinc/36/18/35/563361835.db2.gz WPWWCXZPAUCISM-XJKSGUPXSA-N 1 0 398.345 2.800 20 0 GFADRO CN(Cc1ccc(Cl)s1)C(=O)C(=O)N(CCC[NH3+])Cc1ccccc1 ZINC000423662833 563362851 /nfs/dbraw/zinc/36/28/51/563362851.db2.gz FWDLMZXRSAZVBL-UHFFFAOYSA-N 1 0 379.913 2.738 20 0 GFADRO C[C@@H]([NH2+]C[C@H]1CCn2ncc(C(N)=O)c2C1)c1cc(Br)cs1 ZINC000280990146 563363102 /nfs/dbraw/zinc/36/31/02/563363102.db2.gz MSBCAYFNBIAFAQ-ZJUUUORDSA-N 1 0 383.315 2.719 20 0 GFADRO [NH2+]=C(NO)[C@H]1CCCCN1Cc1nc(-c2ccc(Br)s2)no1 ZINC000374176024 563363740 /nfs/dbraw/zinc/36/37/40/563363740.db2.gz QDHYHGBRPGOVCK-MRVPVSSYSA-N 1 0 386.275 2.871 20 0 GFADRO COCCN(Cc1sccc1Br)C(=O)[C@H]1CCC[NH2+][C@@H]1C ZINC000423853316 563364278 /nfs/dbraw/zinc/36/42/78/563364278.db2.gz WPZZJJGPVLUING-NEPJUHHUSA-N 1 0 375.332 2.874 20 0 GFADRO C[C@@H]1CN(C(=O)c2cccn2-c2ccc(I)cc2)C[C@H]1[NH3+] ZINC000423967413 563365814 /nfs/dbraw/zinc/36/58/14/563365814.db2.gz XKXUKBPQCRGGML-BXUZGUMPSA-N 1 0 395.244 2.501 20 0 GFADRO CC(C)(C)[C@@H](C[NH3+])NC(=O)c1ncc(Br)cc1Br ZINC000423976448 563366173 /nfs/dbraw/zinc/36/61/73/563366173.db2.gz GAEYJELPSXUPBN-SECBINFHSA-N 1 0 379.096 2.710 20 0 GFADRO C[C@@H]1CCN(C(=O)[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C[C@H]1C[NH3+] ZINC000424005086 563367024 /nfs/dbraw/zinc/36/70/24/563367024.db2.gz FMDYJACMLAVSDM-YRGRVCCFSA-N 1 0 384.307 2.790 20 0 GFADRO C[C@@H]1CCN(C(=O)COc2ccc(Br)cc2Cl)C[C@@H]1C[NH3+] ZINC000424019724 563368030 /nfs/dbraw/zinc/36/80/30/563368030.db2.gz RVJKTZZUCKZEKX-MNOVXSKESA-N 1 0 375.694 2.925 20 0 GFADRO CC(C)C[C@@H](Cc1cccc(Br)c1)C(=O)N1CCC(O)(C[NH3+])CC1 ZINC000424052397 563368565 /nfs/dbraw/zinc/36/85/65/563368565.db2.gz BQPZBSAPRQXVFA-INIZCTEOSA-N 1 0 397.357 2.966 20 0 GFADRO CC(C)C[C@H](Cc1cccc(Br)c1)C(=O)N1CCC(O)(C[NH3+])CC1 ZINC000424052398 563368614 /nfs/dbraw/zinc/36/86/14/563368614.db2.gz BQPZBSAPRQXVFA-MRXNPFEDSA-N 1 0 397.357 2.966 20 0 GFADRO CCn1cc(C(=O)N2C[C@@H](SC)[C@@H]([NH+]3CCCC3)C2)c(C(F)(F)F)n1 ZINC000281289740 563371879 /nfs/dbraw/zinc/37/18/79/563371879.db2.gz MQQFAFDBCMADEE-QWHCGFSZSA-N 1 0 376.448 2.574 20 0 GFADRO O=C(c1n[nH]c2ccc(Br)cc21)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000374435157 563372597 /nfs/dbraw/zinc/37/25/97/563372597.db2.gz DWLXXLZQVCVZEX-CQSZACIVSA-N 1 0 377.286 2.930 20 0 GFADRO C[C@H](CNC(=O)c1ccc(C2SCCS2)cc1)C[NH+]1CCN(C)CC1 ZINC000299050483 563374006 /nfs/dbraw/zinc/37/40/06/563374006.db2.gz SJNTYKHLFJHQFI-OAHLLOKOSA-N 1 0 379.595 2.779 20 0 GFADRO COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)N(C)CCC[NH+]1CCCC1 ZINC000281364509 563374737 /nfs/dbraw/zinc/37/47/37/563374737.db2.gz FXONPQPMSYSFOJ-UHFFFAOYSA-N 1 0 388.295 2.885 20 0 GFADRO [NH3+][C@@H]1CCCC[C@H]1NS(=O)(=O)Cc1ccc(Cl)cc1Br ZINC000424361874 563376934 /nfs/dbraw/zinc/37/69/34/563376934.db2.gz KCXNGTPBJUHMIW-CHWSQXEVSA-N 1 0 381.723 2.792 20 0 GFADRO Cc1ccc(Br)c(S(=O)(=O)N2CC3(C[C@H]2C)CC[NH2+]CC3)c1 ZINC000424385323 563377136 /nfs/dbraw/zinc/37/71/36/563377136.db2.gz CUXUVBMRKHWGEP-CYBMUJFWSA-N 1 0 387.343 2.910 20 0 GFADRO COc1cc(C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc(OC)c1Br ZINC000374611664 563377533 /nfs/dbraw/zinc/37/75/33/563377533.db2.gz KBEFOMXGXDMDBK-UHTWSYAYSA-N 1 0 383.286 2.666 20 0 GFADRO C[C@@H]1CC2(CN1S(=O)(=O)c1ccc(F)c(C(F)(F)F)c1)CC[NH2+]CC2 ZINC000424391331 563378014 /nfs/dbraw/zinc/37/80/14/563378014.db2.gz MQFRHMSNVLWENT-LLVKDONJSA-N 1 0 380.407 2.997 20 0 GFADRO COc1cc(Br)ccc1CCCNC(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000424468510 563379684 /nfs/dbraw/zinc/37/96/84/563379684.db2.gz YCTWCFHZBLUUFV-HUUCEWRRSA-N 1 0 384.318 2.959 20 0 GFADRO CCCC[NH+]1CCC(NC(=O)C(=O)Nc2cc(Cl)c(N)c(Cl)c2)CC1 ZINC000299402468 563382943 /nfs/dbraw/zinc/38/29/43/563382943.db2.gz VAUPAZNFFVSZPO-UHFFFAOYSA-N 1 0 387.311 2.895 20 0 GFADRO CCC[N@@H+](CC(=O)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1)CC(C)C ZINC000299393750 563383067 /nfs/dbraw/zinc/38/30/67/563383067.db2.gz KISOUHDKDVNSDI-MRXNPFEDSA-N 1 0 386.583 2.632 20 0 GFADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)c3cnn(-c4cccc(Br)c4)c3)[C@H]2C1 ZINC000374921658 563385619 /nfs/dbraw/zinc/38/56/19/563385619.db2.gz YUZQHZYHJPBHTE-DYVFJYSZSA-N 1 0 389.297 2.801 20 0 GFADRO C[C@H](CC[NH+](C)C)NC(=O)C(=O)Nc1cc(F)c(Br)cc1Cl ZINC000281766358 563387152 /nfs/dbraw/zinc/38/71/52/563387152.db2.gz XJYPZLVGIFSSEX-MRVPVSSYSA-N 1 0 394.672 2.637 20 0 GFADRO C[C@@H]1C[NH+](CCCNC(=O)c2cc(Br)cnc2Cl)C[C@@H](C)O1 ZINC000299705198 563390157 /nfs/dbraw/zinc/39/01/57/563390157.db2.gz ZCLZKFFUKBZSNP-GHMZBOCLSA-N 1 0 390.709 2.727 20 0 GFADRO Brc1ccccc1-n1nnnc1C[NH2+][C@H]1CCCC12CCOCC2 ZINC000281935863 563391189 /nfs/dbraw/zinc/39/11/89/563391189.db2.gz DRKWNXVCOAJLMD-HNNXBMFYSA-N 1 0 392.301 2.864 20 0 GFADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)Cc3noc4ccc(Br)cc43)[C@@H]2C1 ZINC000424784461 563391491 /nfs/dbraw/zinc/39/14/91/563391491.db2.gz KGVXRMYZNQTODP-IAQYHMDHSA-N 1 0 378.270 2.685 20 0 GFADRO COc1c(Br)ccc(C)c1C(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000424813236 563392673 /nfs/dbraw/zinc/39/26/73/563392673.db2.gz RTOPHCGHUHRXRY-AWEZNQCLSA-N 1 0 399.329 2.997 20 0 GFADRO COc1c(Br)ccc(C)c1C(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000424809977 563392797 /nfs/dbraw/zinc/39/27/97/563392797.db2.gz VVWBFBLBXDHEFK-ZDUSSCGKSA-N 1 0 399.329 2.683 20 0 GFADRO COc1c(Br)ccc(C)c1C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000424813237 563392964 /nfs/dbraw/zinc/39/29/64/563392964.db2.gz RTOPHCGHUHRXRY-CQSZACIVSA-N 1 0 399.329 2.997 20 0 GFADRO Cc1cc([C@H](C)[NH2+]CCCNC(=O)c2cccc(Br)c2)nn1C ZINC000281997646 563393731 /nfs/dbraw/zinc/39/37/31/563393731.db2.gz CTZUIUADCZEECG-ZDUSSCGKSA-N 1 0 379.302 2.962 20 0 GFADRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)S(=O)(=O)c1cccc(Br)c1F ZINC000281998045 563393758 /nfs/dbraw/zinc/39/37/58/563393758.db2.gz VAWRMRXEKNJDIY-PWSUYJOCSA-N 1 0 379.295 2.549 20 0 GFADRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)S(=O)(=O)c1cccc(Br)c1F ZINC000281998047 563393910 /nfs/dbraw/zinc/39/39/10/563393910.db2.gz VAWRMRXEKNJDIY-ZYHUDNBSSA-N 1 0 379.295 2.549 20 0 GFADRO C[C@H]1CCC[C@H]1[NH2+]CCC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1Cl ZINC000282015720 563394333 /nfs/dbraw/zinc/39/43/33/563394333.db2.gz JXHIUVPDKWQDQM-SWLSCSKDSA-N 1 0 387.933 2.697 20 0 GFADRO [NH3+][C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(-c2ccc(Br)cc2)n[nH]1 ZINC000375252656 563397502 /nfs/dbraw/zinc/39/75/02/563397502.db2.gz LIUWUAMFUKMHQQ-BTTYYORXSA-N 1 0 375.270 2.934 20 0 GFADRO [NH3+]CC[C@@H]1CCCN(C(=O)c2cc(F)ccc2I)C1 ZINC000282096594 563397705 /nfs/dbraw/zinc/39/77/05/563397705.db2.gz YZXUNWDYTWYBKZ-JTQLQIEISA-N 1 0 376.213 2.631 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(c2cnn(C)c(=O)c2Br)C1 ZINC000301269344 563398499 /nfs/dbraw/zinc/39/84/99/563398499.db2.gz IZPKUQSELWTABS-ZIAGYGMSSA-N 1 0 383.334 2.634 20 0 GFADRO Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N1CCC=C(Br)C1 ZINC000282132399 563398969 /nfs/dbraw/zinc/39/89/69/563398969.db2.gz UYKUXUFXJMWACG-UHFFFAOYSA-N 1 0 380.286 2.506 20 0 GFADRO CN(C)C(=O)N1CCC([NH2+][C@@H]2COc3cc(F)c(Br)cc32)CC1 ZINC000282246676 563403837 /nfs/dbraw/zinc/40/38/37/563403837.db2.gz AXBAOPUZTMZTMX-CQSZACIVSA-N 1 0 386.265 2.757 20 0 GFADRO C[C@H](C(=O)Nc1cc(Br)ccc1N(C)CC[NH+](C)C)n1cccn1 ZINC000425099076 563404216 /nfs/dbraw/zinc/40/42/16/563404216.db2.gz NUOMSWCRBCURPY-CYBMUJFWSA-N 1 0 394.317 2.843 20 0 GFADRO CC(C)[C@H](CO)C(=O)Nc1cc(Br)ccc1N(C)CC[NH+](C)C ZINC000425099745 563404297 /nfs/dbraw/zinc/40/42/97/563404297.db2.gz RARGDXMTNUWLST-AWEZNQCLSA-N 1 0 386.334 2.650 20 0 GFADRO CN(CC[NH+](C)C)c1ccc(Br)cc1NC(=O)C[C@@H]1CCCO1 ZINC000425100842 563404544 /nfs/dbraw/zinc/40/45/44/563404544.db2.gz WJHXYIXBYKKWMI-AWEZNQCLSA-N 1 0 384.318 2.955 20 0 GFADRO C[C@H](Cn1cc(Br)cn1)[NH2+][C@H]1CCN(C(=O)Nc2ccccc2)C1 ZINC000282289408 563405014 /nfs/dbraw/zinc/40/50/14/563405014.db2.gz BVNBXQPBIQXEFW-CJNGLKHVSA-N 1 0 392.301 2.930 20 0 GFADRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1Nc1cnn(C)c(=O)c1Br ZINC000301504361 563405321 /nfs/dbraw/zinc/40/53/21/563405321.db2.gz CCEOFJVCTVWQSK-DZGCQCFKSA-N 1 0 391.313 2.865 20 0 GFADRO NC(=O)c1cnn2c1C[C@@H](C[NH2+][C@@H]1CCc3ccc(Br)cc31)CC2 ZINC000282310080 563406373 /nfs/dbraw/zinc/40/63/73/563406373.db2.gz DLVGIBJJPKEDLI-MEDUHNTESA-N 1 0 389.297 2.584 20 0 GFADRO C[S@@](=O)C1(C[NH2+]Cc2c(F)ccc(I)c2F)CC1 ZINC000282334171 563407282 /nfs/dbraw/zinc/40/72/82/563407282.db2.gz LSVPGYBBGGLYGU-GOSISDBHSA-N 1 0 385.217 2.570 20 0 GFADRO Cc1cc[nH+]c(NC[C@@H](O)COc2ccc(I)cc2)c1 ZINC000301670024 563409696 /nfs/dbraw/zinc/40/96/96/563409696.db2.gz YNAYHOCHJGWFMJ-CYBMUJFWSA-N 1 0 384.217 2.846 20 0 GFADRO O=C(COc1ccccc1)N1CC[C@@H]([NH2+]Cc2cncc(Br)c2)C1 ZINC000282427181 563410671 /nfs/dbraw/zinc/41/06/71/563410671.db2.gz CCHVDLVIVADSNX-MRXNPFEDSA-N 1 0 390.281 2.614 20 0 GFADRO OC[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1Nc1ncc(Br)cn1 ZINC000301738136 563411542 /nfs/dbraw/zinc/41/15/42/563411542.db2.gz WAQHSIXIKKIIDG-HOCLYGCPSA-N 1 0 377.286 2.534 20 0 GFADRO C[C@H]([NH2+][C@@H]1C[C@H]2OCCC[C@H]12)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000375648963 563413214 /nfs/dbraw/zinc/41/32/14/563413214.db2.gz NTOWLTJEIXVICY-NYHSCFHFSA-N 1 0 379.309 2.859 20 0 GFADRO CCc1n[nH]c(C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1Br ZINC000375668523 563413689 /nfs/dbraw/zinc/41/36/89/563413689.db2.gz HPNJTXMKOWVQAF-AWEZNQCLSA-N 1 0 391.313 2.987 20 0 GFADRO COc1cc2[nH+]ccc(NC[C@H]3CC(=O)N(C4CC4)C3)c2cc1Br ZINC000425250463 563414687 /nfs/dbraw/zinc/41/46/87/563414687.db2.gz VRUCTQRFEGMOTL-LLVKDONJSA-N 1 0 390.281 2.851 20 0 GFADRO COC(=O)[C@@H]1C[N@H+](Cc2ccn(C)n2)C[C@H]1c1ccc(Br)cc1 ZINC000425345542 563418724 /nfs/dbraw/zinc/41/87/24/563418724.db2.gz HHHJNMQQCWQDLY-JKSUJKDBSA-N 1 0 378.270 2.571 20 0 GFADRO CCOC(=O)[C@H](C)[C@@H](C)[NH2+]CC(=O)Nc1c(F)cc(F)cc1Br ZINC000282637595 563418795 /nfs/dbraw/zinc/41/87/95/563418795.db2.gz BJVLMGBUKKNGQF-RKDXNWHRSA-N 1 0 393.228 2.843 20 0 GFADRO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)N1CCC[C@H]2C[N@H+](C)C[C@H]21 ZINC000425377043 563419505 /nfs/dbraw/zinc/41/95/05/563419505.db2.gz ZDVLSMGCWZIEGN-XJKSGUPXSA-N 1 0 384.307 2.504 20 0 GFADRO C[N@@H+]1CCC[C@H]2CN(C(=O)C3(c4cncc(Br)c4)CC3)CC[C@H]21 ZINC000282640191 563419530 /nfs/dbraw/zinc/41/95/30/563419530.db2.gz GWHAIXKKIYJXLG-XJKSGUPXSA-N 1 0 378.314 2.818 20 0 GFADRO COC(=O)c1cnc([C@@H](C)NC(=O)NC[C@@H](c2ccsc2)[NH+](C)C)s1 ZINC000425399553 563420466 /nfs/dbraw/zinc/42/04/66/563420466.db2.gz WRUYZRVAOUDCHB-PWSUYJOCSA-N 1 0 382.511 2.654 20 0 GFADRO Cc1ncc([C@H](C)[NH2+]C[C@@H]2CCN(S(=O)(=O)c3cccs3)C2)c(C)n1 ZINC000375839270 563420574 /nfs/dbraw/zinc/42/05/74/563420574.db2.gz MARWXYDDEWYJGG-WFASDCNBSA-N 1 0 380.539 2.516 20 0 GFADRO Cc1nnc(COCC(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)s1 ZINC000375840116 563420963 /nfs/dbraw/zinc/42/09/63/563420963.db2.gz OKECLFYMMBDPDJ-SUMWQHHRSA-N 1 0 380.539 2.624 20 0 GFADRO CO[C@H](C[N@@H+]1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1)C1CC1 ZINC000425424437 563421364 /nfs/dbraw/zinc/42/13/64/563421364.db2.gz NFTFTFLFUFRFRA-UKRRQHHQSA-N 1 0 382.302 2.920 20 0 GFADRO CC[C@H](NC(=O)[C@H](C)C1C[NH2+]C1)c1noc(-c2cccc(Br)c2)n1 ZINC000375912106 563423303 /nfs/dbraw/zinc/42/33/03/563423303.db2.gz MZFUHVNAWJYUHX-YGRLFVJLSA-N 1 0 393.285 2.922 20 0 GFADRO CN(C)S(=O)(=O)c1ccc(C[N@@H+]2CC3(CCOCC3)[C@@H]3CCC[C@@H]32)s1 ZINC000425494259 563425780 /nfs/dbraw/zinc/42/57/80/563425780.db2.gz QTIDMNYZIKHPOD-CVEARBPZSA-N 1 0 384.567 2.780 20 0 GFADRO COC(=O)[C@@H]1CN([C@@H](C)c2nnc(C)[nH]2)C[C@H]1c1ccc(Br)cc1 ZINC000425523123 563426157 /nfs/dbraw/zinc/42/61/57/563426157.db2.gz YGUKACLVRKRMOO-NZVBXONLSA-N 1 0 393.285 2.825 20 0 GFADRO O=S(=O)(NC[C@H]1CC[N@@H+](C2CC2)C1)c1c(Cl)cccc1Br ZINC000282885016 563428544 /nfs/dbraw/zinc/42/85/44/563428544.db2.gz DAUVAJIZGIJULJ-SNVBAGLBSA-N 1 0 393.734 2.865 20 0 GFADRO Cn1ccnc1[C@H]1CCCN(C(=O)NCc2ccc(O)c(Br)c2)C1 ZINC000376095115 563429191 /nfs/dbraw/zinc/42/91/91/563429191.db2.gz HPHZCGKRQHMTAR-ZDUSSCGKSA-N 1 0 393.285 2.977 20 0 GFADRO Cc1[nH]c(=O)c(Br)cc1C(=O)N1CCC([N@H+]2CCC[C@@H]2C)CC1 ZINC000376074806 563429259 /nfs/dbraw/zinc/42/92/59/563429259.db2.gz QZAYEGKYEQRUQT-NSHDSACASA-N 1 0 382.302 2.947 20 0 GFADRO C[N@@H+]1C[C@@H]2CCCN(C(=O)NCCc3cc(Br)ccc3F)[C@@H]2C1 ZINC000425661688 563430164 /nfs/dbraw/zinc/43/01/64/563430164.db2.gz YIJWZQPBFXWVQK-XJKSGUPXSA-N 1 0 384.293 2.866 20 0 GFADRO O=C(Nc1cnc2c(Br)cccn12)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000425672867 563430725 /nfs/dbraw/zinc/43/07/25/563430725.db2.gz LVFQRJVNGSVVAU-LBPRGKRZSA-N 1 0 376.258 2.575 20 0 GFADRO C[C@H](NC(=O)Nc1cnc2c(Br)cccn12)C1=CC[N@H+](C)CC1 ZINC000425668892 563430782 /nfs/dbraw/zinc/43/07/82/563430782.db2.gz APYDZZATGKTMKZ-NSHDSACASA-N 1 0 378.274 2.869 20 0 GFADRO [NH3+][C@@H]1CCC[C@]12CCN(S(=O)(=O)c1c(Cl)cccc1Br)C2 ZINC000376127502 563430786 /nfs/dbraw/zinc/43/07/86/563430786.db2.gz HRWUFXREWOMMRD-TZMCWYRMSA-N 1 0 393.734 2.995 20 0 GFADRO CN(c1ncc(I)cn1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309837143 563434751 /nfs/dbraw/zinc/43/47/51/563434751.db2.gz IVEZRVADNWCACX-HNNXBMFYSA-N 1 0 394.260 2.792 20 0 GFADRO CC1(C)[C@@H]2OCCC[C@H]2[C@@]1([NH3+])C(=O)NCCc1cc(Br)ccc1F ZINC000376252916 563435329 /nfs/dbraw/zinc/43/53/29/563435329.db2.gz JLQLDDMCUQTCCI-DDUZABMNSA-N 1 0 399.304 2.779 20 0 GFADRO COc1c(Br)cc(Br)cc1C[NH2+][C@H]1CC(=O)N(C)C1 ZINC000312049914 563436259 /nfs/dbraw/zinc/43/62/59/563436259.db2.gz BOOJIQCHLJDLDJ-JTQLQIEISA-N 1 0 392.091 2.541 20 0 GFADRO C[NH+]1CCC(CCNC(=O)NC[C@@H](O)c2cccc(Br)c2)CC1 ZINC000283159787 563437690 /nfs/dbraw/zinc/43/76/90/563437690.db2.gz CMFOFQFFXYOVLF-MRXNPFEDSA-N 1 0 384.318 2.514 20 0 GFADRO OCCn1ncc2c1CCC[C@H]2[NH2+]Cc1cccc(I)c1 ZINC000314036108 563438477 /nfs/dbraw/zinc/43/84/77/563438477.db2.gz YZCXQJHTANBTNW-OAHLLOKOSA-N 1 0 397.260 2.647 20 0 GFADRO CCOc1ccc(Br)cc1S(=O)(=O)N[C@@H](C)CCCC[NH3+] ZINC000314067413 563438666 /nfs/dbraw/zinc/43/86/66/563438666.db2.gz ZDCLWCRHXWWBGG-NSHDSACASA-N 1 0 379.320 2.644 20 0 GFADRO Cc1nc(CN2CCC[C@H]([NH2+][C@@H](C)c3ncc(Br)cc3F)C2)no1 ZINC000376339169 563438646 /nfs/dbraw/zinc/43/86/46/563438646.db2.gz GUDWMLWOPJAOBP-GWCFXTLKSA-N 1 0 398.280 2.990 20 0 GFADRO [NH3+]C[C@]12CCC[C@H]1CN(S(=O)(=O)c1c(Cl)cccc1Br)C2 ZINC000314643929 563439208 /nfs/dbraw/zinc/43/92/08/563439208.db2.gz GOOULRFWFRTXGF-HZMBPMFUSA-N 1 0 393.734 2.852 20 0 GFADRO CC[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)Cc2ccc(Cl)cc2Cl)CC1 ZINC000283320223 563441492 /nfs/dbraw/zinc/44/14/92/563441492.db2.gz FSLLRYNBUCIITH-LBPRGKRZSA-N 1 0 386.323 2.641 20 0 GFADRO C[C@H](NC(=O)NC[C@@]1([NH+](C)C)CCSC1)c1nc(C(F)(F)F)cs1 ZINC000426030534 563442112 /nfs/dbraw/zinc/44/21/12/563442112.db2.gz UNUGJUBXEIKGJN-ZANVPECISA-N 1 0 382.477 2.959 20 0 GFADRO O=S(=O)(c1ccc(Br)cc1F)N1CCCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000317628328 563443109 /nfs/dbraw/zinc/44/31/09/563443109.db2.gz UZNKMGSGXZFDQR-KGLIPLIRSA-N 1 0 391.306 2.883 20 0 GFADRO Cc1cc(NC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc(C)c1Br ZINC000426107837 563443168 /nfs/dbraw/zinc/44/31/68/563443168.db2.gz BVMSTWJIZHFCRI-HIFRSBDPSA-N 1 0 394.313 2.747 20 0 GFADRO Cc1cc(NC(=O)C(=O)NCC[N@H+]2CCCC[C@@H]2C)cc(C)c1Br ZINC000426105928 563443654 /nfs/dbraw/zinc/44/36/54/563443654.db2.gz LIRFPAQBIRDTQP-AWEZNQCLSA-N 1 0 396.329 2.995 20 0 GFADRO CN(Cc1cc(Br)ccc1Cl)C(=O)NCCOCC[NH+](C)C ZINC000426129548 563444845 /nfs/dbraw/zinc/44/48/45/563444845.db2.gz RXAHDEJAQGSWTK-UHFFFAOYSA-N 1 0 392.725 2.822 20 0 GFADRO CC(C)n1cc(Br)cc1C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000376518411 563444943 /nfs/dbraw/zinc/44/49/43/563444943.db2.gz HXIRTZITCUOFBH-INIZCTEOSA-N 1 0 397.361 2.684 20 0 GFADRO O=C(Nc1cccnc1Br)N1CCC[N@@H+](C2CCOCC2)CC1 ZINC000376525738 563445313 /nfs/dbraw/zinc/44/53/13/563445313.db2.gz ATLSMPCIZCKAJL-UHFFFAOYSA-N 1 0 383.290 2.563 20 0 GFADRO CC(C)c1nnc(CC[NH2+][C@@H](C)c2cccc(S(=O)(=O)N(C)C)c2)s1 ZINC000426331387 563449204 /nfs/dbraw/zinc/44/92/04/563449204.db2.gz RPPUODHSEYJPKV-ZDUSSCGKSA-N 1 0 382.555 2.805 20 0 GFADRO CC(C)(C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000376667246 563449942 /nfs/dbraw/zinc/44/99/42/563449942.db2.gz NQENPRDAICCLCY-GJZGRUSLSA-N 1 0 384.929 2.635 20 0 GFADRO O=C(NCC[NH2+]C1CC1)[C@H]1CCCN1c1ncc(C(F)(F)F)cc1Cl ZINC000376693975 563451005 /nfs/dbraw/zinc/45/10/05/563451005.db2.gz JFVHEPFDYOZGQG-CYBMUJFWSA-N 1 0 376.810 2.591 20 0 GFADRO O=C(C[N@@H+]1CC[C@H]2CCC[C@@H]21)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000426462198 563451576 /nfs/dbraw/zinc/45/15/76/563451576.db2.gz VBWYZSJFPMHJLK-CJNGLKHVSA-N 1 0 383.323 2.911 20 0 GFADRO COCC(=O)N1CCC([NH2+][C@@H]2CCCOc3cc(Br)ccc32)CC1 ZINC000324309440 563452230 /nfs/dbraw/zinc/45/22/30/563452230.db2.gz REDACWUKCABBAD-MRXNPFEDSA-N 1 0 397.313 2.890 20 0 GFADRO COc1cc(Br)ccc1C(=O)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000325363620 563453838 /nfs/dbraw/zinc/45/38/38/563453838.db2.gz ADLUKUYYDFIOMQ-HNNXBMFYSA-N 1 0 397.313 2.785 20 0 GFADRO O=S(=O)(c1ccccc1OC(F)(F)F)N1CCC2(CC[NH2+]CC2)CC1 ZINC000327980076 563460287 /nfs/dbraw/zinc/46/02/87/563460287.db2.gz YQBSCABWYPDYAK-UHFFFAOYSA-N 1 0 378.416 2.740 20 0 GFADRO CC(C)(C)S(=O)(=O)CC[NH2+]Cc1cccc(I)c1 ZINC000284022384 563461690 /nfs/dbraw/zinc/46/16/90/563461690.db2.gz QRMIEFTVCWFPOP-UHFFFAOYSA-N 1 0 381.279 2.594 20 0 GFADRO O=C(NCCCn1cc(Br)cn1)N1CCC[C@@H]([NH+]2CCCCC2)C1 ZINC000377058642 563461792 /nfs/dbraw/zinc/46/17/92/563461792.db2.gz WXWLVCZDKPQCHT-MRXNPFEDSA-N 1 0 398.349 2.696 20 0 GFADRO Cc1csc(-c2cccc(S(=O)(=O)N3CC[C@@H]4CC[N@@H+](C)C[C@H]43)c2)n1 ZINC000328675991 563463072 /nfs/dbraw/zinc/46/30/72/563463072.db2.gz RHKMKJPOXREJMR-WMLDXEAASA-N 1 0 377.535 2.833 20 0 GFADRO Cc1csc(-c2cccc(S(=O)(=O)N3CC[C@H]4CC[N@@H+](C)C[C@@H]43)c2)n1 ZINC000328675989 563463113 /nfs/dbraw/zinc/46/31/13/563463113.db2.gz RHKMKJPOXREJMR-PBHICJAKSA-N 1 0 377.535 2.833 20 0 GFADRO O[C@@]1(C[NH2+]Cc2c(Br)cncc2Br)CCSC1 ZINC000284078398 563463470 /nfs/dbraw/zinc/46/34/70/563463470.db2.gz NLVVALZVDVUQBL-LLVKDONJSA-N 1 0 382.121 2.564 20 0 GFADRO CC(C)[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000328741681 563463833 /nfs/dbraw/zinc/46/38/33/563463833.db2.gz NOTOLOQOAYQJAX-WOSRLPQWSA-N 1 0 383.945 2.851 20 0 GFADRO [NH3+]C[C@H]1CCN(C(=O)[C@H]2CCCN2c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000377126349 563464236 /nfs/dbraw/zinc/46/42/36/563464236.db2.gz KFBJBPOXTMVGQM-ZWNOBZJWSA-N 1 0 376.810 2.530 20 0 GFADRO O=C1NC(=O)[C@@]2(CCC[N@@H+](Cc3cnc(-c4ccc(Cl)cc4)s3)C2)N1 ZINC000284241333 563468566 /nfs/dbraw/zinc/46/85/66/563468566.db2.gz FCORZLBEJUVAPO-KRWDZBQOSA-N 1 0 376.869 2.638 20 0 GFADRO Cc1noc([C@@H]2CCN([C@H]3CCN(c4cccc(Br)c4)C3=O)C2)n1 ZINC000329024264 563470580 /nfs/dbraw/zinc/47/05/80/563470580.db2.gz JBTSWLJBKLBHIS-DOMZBBRYSA-N 1 0 391.269 2.735 20 0 GFADRO O=C(NC1(c2nc[nH]n2)CCC1)C1CC[NH+](Cc2ccc(Cl)s2)CC1 ZINC000377320488 563470620 /nfs/dbraw/zinc/47/06/20/563470620.db2.gz HFRABVPHVNEDDC-UHFFFAOYSA-N 1 0 379.917 2.927 20 0 GFADRO C[NH+](C)CCN(C(=O)C1CCN(C(=O)c2ccc(Cl)s2)CC1)C1CC1 ZINC000377322420 563470917 /nfs/dbraw/zinc/47/09/17/563470917.db2.gz OZKZAZJZDCDOKF-UHFFFAOYSA-N 1 0 383.945 2.806 20 0 GFADRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2S(=O)(=O)c2cc(Br)ccc2F)C1 ZINC000427802663 563476481 /nfs/dbraw/zinc/47/64/81/563476481.db2.gz AFHJPSCOFCSKPR-FZMZJTMJSA-N 1 0 391.306 2.693 20 0 GFADRO CC(C)c1[nH]nc(C(=O)Nc2nc3c(s2)C[C@@H]([NH3+])CC3)c1Br ZINC000377580415 563479866 /nfs/dbraw/zinc/47/98/66/563479866.db2.gz LLBLZLQSLHUEDA-ZETCQYMHSA-N 1 0 384.303 2.820 20 0 GFADRO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@H](CCO)c1ccccc1 ZINC000428242294 563485942 /nfs/dbraw/zinc/48/59/42/563485942.db2.gz SGISUMRKBYUYFP-HOCLYGCPSA-N 1 0 379.298 2.755 20 0 GFADRO CC(C)[NH+]1CCC(NC(=O)C(=O)N(C)Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000284688756 563486060 /nfs/dbraw/zinc/48/60/60/563486060.db2.gz DXFUXNWIFNYIBA-UHFFFAOYSA-N 1 0 386.323 2.941 20 0 GFADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@@H](CCO)c1ccccc1 ZINC000428242283 563486358 /nfs/dbraw/zinc/48/63/58/563486358.db2.gz SGISUMRKBYUYFP-GDBMZVCRSA-N 1 0 379.298 2.755 20 0 GFADRO Cc1sc(=O)n(CCC(=O)NC[C@H]2CC[N@@H+](C)[C@H]2c2cccs2)c1C ZINC000377773358 563486412 /nfs/dbraw/zinc/48/64/12/563486412.db2.gz DPLHWSKGRGVBAK-RHSMWYFYSA-N 1 0 379.551 2.787 20 0 GFADRO CCS(=O)(=O)CCCCC[NH2+][C@@H](C)c1ccc(S(=O)(=O)CC)cc1 ZINC000284719349 563487575 /nfs/dbraw/zinc/48/75/75/563487575.db2.gz JHHCIFHTDAHDRJ-HNNXBMFYSA-N 1 0 375.556 2.736 20 0 GFADRO COc1cc(Br)c(C[NH2+][C@H](C)C(C)(C)n2cncn2)cc1OC ZINC000284856110 563492643 /nfs/dbraw/zinc/49/26/43/563492643.db2.gz AIDPQOLUAOQTML-LLVKDONJSA-N 1 0 383.290 2.971 20 0 GFADRO CCC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)c1 ZINC000378053697 563494492 /nfs/dbraw/zinc/49/44/92/563494492.db2.gz JOWHLBALJIHGFS-OAHLLOKOSA-N 1 0 384.929 2.943 20 0 GFADRO Cn1nnc2cc(C[NH2+]C[C@@H](CO)Cc3cccc(Br)c3)ccc21 ZINC000428537114 563494493 /nfs/dbraw/zinc/49/44/93/563494493.db2.gz MVXMCYACNVIIKL-HNNXBMFYSA-N 1 0 389.297 2.672 20 0 GFADRO [NH3+]C[C@@H]1CCCN(C(=O)c2cc(I)ccc2Cl)C1 ZINC000428520177 563494813 /nfs/dbraw/zinc/49/48/13/563494813.db2.gz WCAYMYFUHNDWTL-VIFPVBQESA-N 1 0 378.641 2.756 20 0 GFADRO Cc1cccc(S(=O)(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c1Br ZINC000378223296 563499140 /nfs/dbraw/zinc/49/91/40/563499140.db2.gz IQANAJUAXFMPNE-ZIAGYGMSSA-N 1 0 387.343 2.910 20 0 GFADRO C[N@H+](CC/C=C/c1ccc(Br)cc1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000428790153 563502228 /nfs/dbraw/zinc/50/22/28/563502228.db2.gz QHMMAJSYBQWPIT-LLCTXKFZSA-N 1 0 387.343 2.818 20 0 GFADRO Cc1cccc(C(=O)N2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)c1Br ZINC000378321153 563503117 /nfs/dbraw/zinc/50/31/17/563503117.db2.gz RRBCTMZNSAXBTR-NVXWUHKLSA-N 1 0 394.357 2.856 20 0 GFADRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1cc(Cl)cc(F)c1Br ZINC000285191009 563507593 /nfs/dbraw/zinc/50/75/93/563507593.db2.gz IREDKCDZGIFLMY-LLVKDONJSA-N 1 0 393.684 2.818 20 0 GFADRO C[C@@H]1C[C@@H]1[N@@H+]1CCN(C[C@H](O)COc2cccc(Br)c2)C[C@@H](C)C1 ZINC000429018443 563507637 /nfs/dbraw/zinc/50/76/37/563507637.db2.gz HLCCLVUENWYULN-RRIFGTCXSA-N 1 0 397.357 2.851 20 0 GFADRO Cc1cccc(OC[C@@H](O)C[NH2+][C@H](CO)c2ccc(Br)c(F)c2)c1 ZINC000429018406 563507804 /nfs/dbraw/zinc/50/78/04/563507804.db2.gz HDRPYLQXFNXGFU-KBXCAEBGSA-N 1 0 398.272 2.960 20 0 GFADRO O=C(CCc1ccccc1Br)Nc1ccc(N2CC[NH2+]CC2)cn1 ZINC000429015993 563508044 /nfs/dbraw/zinc/50/80/44/563508044.db2.gz AHBWEQKRIOZKSQ-UHFFFAOYSA-N 1 0 389.297 2.825 20 0 GFADRO COc1ccc(Br)cc1C(=O)CCC(=O)N1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000429158184 563510657 /nfs/dbraw/zinc/51/06/57/563510657.db2.gz BZNUMXXKFWPEQT-FZMZJTMJSA-N 1 0 383.286 2.616 20 0 GFADRO CN(C)c1ncc(Br)cc1C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000429314236 563514133 /nfs/dbraw/zinc/51/41/33/563514133.db2.gz ROYVUGAMHDGRKC-UHFFFAOYSA-N 1 0 375.270 2.808 20 0 GFADRO CCN(CC)C(=O)C[C@@H](C)[NH2+]C[C@H](CO)Cc1ccccc1Br ZINC000429414059 563516491 /nfs/dbraw/zinc/51/64/91/563516491.db2.gz XEQCZGCFSNTSSV-HUUCEWRRSA-N 1 0 385.346 2.837 20 0 GFADRO CCN(CC)C(=O)C[C@H](C)[NH2+]C[C@@H](CO)Cc1ccc(Br)cc1 ZINC000429455801 563517225 /nfs/dbraw/zinc/51/72/25/563517225.db2.gz QLMQXWLNACWHFI-HOCLYGCPSA-N 1 0 385.346 2.837 20 0 GFADRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1CC(=O)N(C)Cc1ccccc1Br ZINC000285378863 563517258 /nfs/dbraw/zinc/51/72/58/563517258.db2.gz BJYUTAPZIISUBJ-DOTOQJQBSA-N 1 0 394.357 2.966 20 0 GFADRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1S(=O)(=O)c1sccc1Br ZINC000285449260 563521325 /nfs/dbraw/zinc/52/13/25/563521325.db2.gz YIQBMDVFMFLTOW-MNOVXSKESA-N 1 0 379.345 2.758 20 0 GFADRO O=C(COC1C[NH2+]C1)Nc1ccc(COc2ccc(Br)cc2)cc1 ZINC000429795732 563522569 /nfs/dbraw/zinc/52/25/69/563522569.db2.gz LWXIOACTUKUSFN-UHFFFAOYSA-N 1 0 391.265 2.955 20 0 GFADRO CN(C[C@H]1CCC[N@H+](Cc2cnc(-c3ccccc3)s2)C1)S(C)(=O)=O ZINC000285523159 563525026 /nfs/dbraw/zinc/52/50/26/563525026.db2.gz GWVNUYFXXKEVTL-OAHLLOKOSA-N 1 0 379.551 2.914 20 0 GFADRO C[C@@H](O)C[C@@H]1CCCCC[N@@H+]1Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000392248138 563526348 /nfs/dbraw/zinc/52/63/48/563526348.db2.gz GWFCSEPYWVQLOO-CJNGLKHVSA-N 1 0 394.313 2.973 20 0 GFADRO CNS(=O)(=O)NC1CC[NH+](Cc2ccc(-c3cccc(F)c3)s2)CC1 ZINC000330908226 563526716 /nfs/dbraw/zinc/52/67/16/563526716.db2.gz OENHOVNIOHZNOO-UHFFFAOYSA-N 1 0 383.514 2.572 20 0 GFADRO O[C@H](C[NH2+][C@H]1COc2ccccc2C1)COc1cccc(Br)c1 ZINC000393343452 563528469 /nfs/dbraw/zinc/52/84/69/563528469.db2.gz CBCCATZOAGWLEP-HZPDHXFCSA-N 1 0 378.266 2.782 20 0 GFADRO O[C@@H](C[NH2+][C@@H]1COc2ccccc2C1)COc1cccc(Br)c1 ZINC000393343450 563528876 /nfs/dbraw/zinc/52/88/76/563528876.db2.gz CBCCATZOAGWLEP-HOTGVXAUSA-N 1 0 378.266 2.782 20 0 GFADRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)CCOc1ccccc1Br ZINC000331006088 563531011 /nfs/dbraw/zinc/53/10/11/563531011.db2.gz BONHKGOFUZVDFC-CQSZACIVSA-N 1 0 399.329 2.522 20 0 GFADRO O=C(NCC1(O)CC[NH+](Cc2ccccc2)CC1)c1coc(Br)c1 ZINC000397507659 563531827 /nfs/dbraw/zinc/53/18/27/563531827.db2.gz FNUHXBXVJDLRBX-UHFFFAOYSA-N 1 0 393.281 2.799 20 0 GFADRO CC[NH+]1CCC(N(C)CCS(=O)(=O)c2cccc(Br)c2)CC1 ZINC000430035056 563531840 /nfs/dbraw/zinc/53/18/40/563531840.db2.gz LKMWOPFSKXXJBE-UHFFFAOYSA-N 1 0 389.359 2.639 20 0 GFADRO C[C@H](C[N@H+](C)[C@@H]1CCN(S(C)(=O)=O)C1)c1cccc(Br)c1 ZINC000430105832 563533170 /nfs/dbraw/zinc/53/31/70/563533170.db2.gz OLXOAYJIFSHVQB-IUODEOHRSA-N 1 0 375.332 2.518 20 0 GFADRO CC(=O)Nc1ccc(S(=O)(=O)NC[C@H](C)[NH+]2CCC(C)CC2)cc1Cl ZINC000331074289 563533821 /nfs/dbraw/zinc/53/38/21/563533821.db2.gz GIAPWURAOHEROR-ZDUSSCGKSA-N 1 0 387.933 2.697 20 0 GFADRO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NC[C@H](CO)Cc1cccc(Br)c1 ZINC000430120840 563534014 /nfs/dbraw/zinc/53/40/14/563534014.db2.gz KRTHBNRQVULCFQ-IJEWVQPXSA-N 1 0 383.330 2.589 20 0 GFADRO O[C@@]1(CC[NH2+]Cc2cc(Br)cc(Br)c2)CCOC1 ZINC000404145686 563536341 /nfs/dbraw/zinc/53/63/41/563536341.db2.gz KWQYLMYPDVXGJZ-ZDUSSCGKSA-N 1 0 379.092 2.843 20 0 GFADRO C[NH+]1CCC(C)(CNC(=O)CCCS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000285792056 563537617 /nfs/dbraw/zinc/53/76/17/563537617.db2.gz KZZRKFHFKZSUEI-UHFFFAOYSA-N 1 0 386.945 2.742 20 0 GFADRO C[C@@H]1C[C@@H](N2CCOCC2)C[N@@H+]1CCC(=O)Nc1ccc(Br)cc1 ZINC000285813038 563538286 /nfs/dbraw/zinc/53/82/86/563538286.db2.gz GLWYIJFQMKBHAX-RHSMWYFYSA-N 1 0 396.329 2.573 20 0 GFADRO CCCOc1c(Br)cc(C[NH2+]CCN2CCCC2=O)cc1OC ZINC000405330575 563538788 /nfs/dbraw/zinc/53/87/88/563538788.db2.gz ZRDNMZHOLNINNS-UHFFFAOYSA-N 1 0 385.302 2.959 20 0 GFADRO CS(=O)(=O)N[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(F)c(Br)c1 ZINC000331208758 563540784 /nfs/dbraw/zinc/54/07/84/563540784.db2.gz ZXJJORKJAAOPIR-UONOGXRCSA-N 1 0 379.295 2.538 20 0 GFADRO Cc1[nH]c(=O)c(Br)cc1C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000285898744 563541286 /nfs/dbraw/zinc/54/12/86/563541286.db2.gz YARRADAJESDKBM-WBMJQRKESA-N 1 0 394.313 2.947 20 0 GFADRO COc1cc(Cl)c(S(=O)(=O)N[C@@H]2CCC[N@@H+](C(C)C)C2)cc1OC ZINC000331220855 563541423 /nfs/dbraw/zinc/54/14/23/563541423.db2.gz JTOURJJYLUXAKR-GFCCVEGCSA-N 1 0 376.906 2.508 20 0 GFADRO C[C@@H]1C[C@H](N2CCOCC2)C[N@@H+]1CCC(=O)Nc1ccccc1Br ZINC000285921333 563542651 /nfs/dbraw/zinc/54/26/51/563542651.db2.gz LGXBWRHMHIYINH-CABCVRRESA-N 1 0 396.329 2.573 20 0 GFADRO COCC[C@]1(C(=O)N2CC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)CC[NH2+]C1 ZINC000430429058 563543026 /nfs/dbraw/zinc/54/30/26/563543026.db2.gz UCUBZJAWSFWBHA-RDTXWAMCSA-N 1 0 387.307 2.989 20 0 GFADRO C[C@H]([NH2+]CC1(C(F)F)CC1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430732619 563548390 /nfs/dbraw/zinc/54/83/90/563548390.db2.gz GQQCTDJMGODQBW-QMMMGPOBSA-N 1 0 383.258 2.792 20 0 GFADRO C[C@H]1C[C@H](N(C)C(=O)c2cnc3ccc(Br)cc3c2O)CC[N@@H+]1C ZINC000408438906 563556004 /nfs/dbraw/zinc/55/60/04/563556004.db2.gz LXZFGFCCTBUPHK-WCQYABFASA-N 1 0 392.297 2.845 20 0 GFADRO OC[C@@H]1C[N@H+](C[C@@H](O)COCc2ccccc2Cl)CC[C@H]1C(F)(F)F ZINC000286299591 563556045 /nfs/dbraw/zinc/55/60/45/563556045.db2.gz CKWVJPMSUPBUPP-RRFJBIMHSA-N 1 0 381.822 2.710 20 0 GFADRO Cc1cc(C[NH2+][C@@H]2CC(=O)N(C)[C@H]2c2cnn(C)c2C)sc1Br ZINC000331638719 563556738 /nfs/dbraw/zinc/55/67/38/563556738.db2.gz QLALECBJMWGGMH-HIFRSBDPSA-N 1 0 397.342 2.923 20 0 GFADRO C[C@@H](Sc1ccc(Br)cc1)C(=O)NC[C@@](C)(O)CC[NH+](C)C ZINC000431376042 563559636 /nfs/dbraw/zinc/55/96/36/563559636.db2.gz DDEFQXXTMCJFED-WBMJQRKESA-N 1 0 389.359 2.749 20 0 GFADRO C[C@H](NC(=O)N(C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O)[C@H]1CCC[NH2+]C1 ZINC000331728635 563559648 /nfs/dbraw/zinc/55/96/48/563559648.db2.gz ZPMMURCEXXDWKD-BNBDDXAPSA-N 1 0 386.323 2.981 20 0 GFADRO COC(=O)c1sccc1S(=O)(=O)N1CCC[C@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000331769045 563561355 /nfs/dbraw/zinc/56/13/55/563561355.db2.gz FAWHBQMNFPFNEK-MJBXVCDLSA-N 1 0 386.539 2.561 20 0 GFADRO Cc1cc(C)c(S(=O)(=O)N2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)s1 ZINC000431522027 563561866 /nfs/dbraw/zinc/56/18/66/563561866.db2.gz TVNUXBXMBMSOAF-HUUCEWRRSA-N 1 0 386.583 2.875 20 0 GFADRO C[NH+]1CCC(N(Cc2ccco2)S(=O)(=O)c2cnc(Cl)c(F)c2)CC1 ZINC000286568361 563565892 /nfs/dbraw/zinc/56/58/92/563565892.db2.gz IWSGSDZIIDSGIB-UHFFFAOYSA-N 1 0 387.864 2.752 20 0 GFADRO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1csc(C(=O)OC)c1 ZINC000431890435 563570479 /nfs/dbraw/zinc/57/04/79/563570479.db2.gz DUQDAACMYBPYCA-ZFWWWQNUSA-N 1 0 388.555 2.714 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)Cc2nnnn2-c2ccccc2Br)C[C@@H]1C ZINC000331998769 563570710 /nfs/dbraw/zinc/57/07/10/563570710.db2.gz ZRDNFEZOVLQVNQ-KBPBESRZSA-N 1 0 393.333 2.729 20 0 GFADRO O=C(CC[N@@H+]1CC[C@H](C(=O)N2CCCC2)C1)Nc1ccccc1Br ZINC000286712417 563571445 /nfs/dbraw/zinc/57/14/45/563571445.db2.gz APNDJKHKSRTYJB-AWEZNQCLSA-N 1 0 394.313 2.722 20 0 GFADRO C[C@@H]1CN(C(=O)c2cc(=O)[nH]c3c(Br)cccc23)C[C@@H]1[NH+](C)C ZINC000332020880 563571965 /nfs/dbraw/zinc/57/19/65/563571965.db2.gz HIBWDHUZRDBHIO-YGRLFVJLSA-N 1 0 378.270 2.725 20 0 GFADRO Cc1c([C@H]2[C@H]([NH2+]Cc3ccc(Br)cc3F)CC(=O)N2C)cnn1C ZINC000332035350 563572960 /nfs/dbraw/zinc/57/29/60/563572960.db2.gz SPFHDHQLPKHNCC-WBVHZDCISA-N 1 0 395.276 2.692 20 0 GFADRO CC[N@@H+]1CCN(CC(=O)Nc2c(F)cc(F)cc2Br)[C@H](C)C1 ZINC000286752975 563573495 /nfs/dbraw/zinc/57/34/95/563573495.db2.gz YVNVBASJCRDZGQ-SNVBAGLBSA-N 1 0 376.245 2.692 20 0 GFADRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1S(=O)(=O)c1ccc2nc(Cl)cnc2c1 ZINC000286794514 563575024 /nfs/dbraw/zinc/57/50/24/563575024.db2.gz SKXBVVITCQHIEB-LRDDRELGSA-N 1 0 380.901 2.531 20 0 GFADRO O=C(Nc1nnc(CC(F)(F)F)s1)N1CCC([NH+]2CCCCC2)CC1 ZINC000332109674 563577159 /nfs/dbraw/zinc/57/71/59/563577159.db2.gz FXAQTLYZZNDIJH-UHFFFAOYSA-N 1 0 377.436 3.125 20 0 GFADRO C[C@@H]1C[N@H+](CCCNS(=O)(=O)Cc2cc(Cl)cc(Cl)c2)CCCO1 ZINC000432291583 563579442 /nfs/dbraw/zinc/57/94/42/563579442.db2.gz LQIBYALTYZJKJR-CYBMUJFWSA-N 1 0 395.352 2.914 20 0 GFADRO CC1CC[NH+](C2CCC(NC(=O)c3nn(C)cc3Br)CC2)CC1 ZINC000332160278 563580466 /nfs/dbraw/zinc/58/04/66/563580466.db2.gz SOQBCMOWWQBTJV-UHFFFAOYSA-N 1 0 383.334 2.956 20 0 GFADRO C[C@@H](CNC(=O)N[C@@H]1COc2cc(F)c(Br)cc21)[N@H+](C)C1CC1 ZINC000410067313 563580572 /nfs/dbraw/zinc/58/05/72/563580572.db2.gz UUTXLMUKTBXKJX-LKFCYVNXSA-N 1 0 386.265 2.804 20 0 GFADRO CC[N@H+](C)Cc1cccc(CNC(=O)NCCn2cc(Br)cn2)c1 ZINC000286955333 563581580 /nfs/dbraw/zinc/58/15/80/563581580.db2.gz MWZOJQBIHQTSJI-UHFFFAOYSA-N 1 0 394.317 2.597 20 0 GFADRO CC(C)NS(=O)(=O)CC[NH2+]C1CC(c2cccc(Br)c2)C1 ZINC000432416456 563583326 /nfs/dbraw/zinc/58/33/26/563583326.db2.gz HAKFQIDEDFZHAD-UHFFFAOYSA-N 1 0 375.332 2.613 20 0 GFADRO O=C(Nc1cc(Br)ccc1F)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000332209827 563584023 /nfs/dbraw/zinc/58/40/23/563584023.db2.gz RZQPXUAEGBTRTJ-ZDUSSCGKSA-N 1 0 398.276 2.614 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)Nc3ccccc3I)C[C@@H]21 ZINC000332221900 563584599 /nfs/dbraw/zinc/58/45/99/563584599.db2.gz MBJSRADISSRKTI-NTZNESFSSA-N 1 0 385.249 2.882 20 0 GFADRO COCC[C@H](Cc1cccc(Br)c1)C(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000432515112 563586367 /nfs/dbraw/zinc/58/63/67/563586367.db2.gz OUNLXISKKMXFBY-FRFSOERESA-N 1 0 383.330 2.759 20 0 GFADRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)c1cc(I)ccc1Cl ZINC000432512686 563586383 /nfs/dbraw/zinc/58/63/83/563586383.db2.gz XPCMJIYFKZIVAC-PRHODGIISA-N 1 0 378.641 2.672 20 0 GFADRO COC(=O)c1cc(Br)cc(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)c1 ZINC000332253099 563587513 /nfs/dbraw/zinc/58/75/13/563587513.db2.gz BZPKVRRASQJUBJ-HUUCEWRRSA-N 1 0 381.270 2.592 20 0 GFADRO C[C@H]([NH3+])C1CCN(C(=O)N[C@H]2COc3cc(F)c(Br)cc32)CC1 ZINC000332261785 563588439 /nfs/dbraw/zinc/58/84/39/563588439.db2.gz NVXIEDORXBOZEV-XPTSAGLGSA-N 1 0 386.265 2.791 20 0 GFADRO O=C(Nc1ccc(Br)c(F)c1)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000332264615 563588751 /nfs/dbraw/zinc/58/87/51/563588751.db2.gz GFIPGLVHLZBBAW-CYBMUJFWSA-N 1 0 398.276 2.614 20 0 GFADRO C[N@H+](CCCNC(=O)C1CCC1)Cc1cnc2ccc(Br)cn12 ZINC000432797517 563594026 /nfs/dbraw/zinc/59/40/26/563594026.db2.gz FJPAQGHDEZNOCW-UHFFFAOYSA-N 1 0 379.302 2.835 20 0 GFADRO C[C@@H]1CN(C(=O)NC[C@H]2CCN(c3cccc(Br)c3)C2)CC[C@@H]1[NH3+] ZINC000332353123 563594920 /nfs/dbraw/zinc/59/49/20/563594920.db2.gz RCJKGLBBEMFKPK-CPUCHLNUSA-N 1 0 395.345 2.654 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)N1CC[C@H](C(F)(F)F)[C@H](CO)C1)c1ccsc1 ZINC000287302259 563595848 /nfs/dbraw/zinc/59/58/48/563595848.db2.gz WHPJFGHSILQSER-MELADBBJSA-N 1 0 379.448 2.553 20 0 GFADRO C[C@@]1(CN[C@H]2CCS(=O)(=O)c3ccc(Br)cc32)CCC[NH2+]C1 ZINC000332375824 563595829 /nfs/dbraw/zinc/59/58/29/563595829.db2.gz RNCLAKZRDWKSOZ-GOEBONIOSA-N 1 0 387.343 2.647 20 0 GFADRO COC(=O)CC1CC[NH+]([C@H]2CCN(c3cccc(Br)c3)C2=O)CC1 ZINC000432962001 563598130 /nfs/dbraw/zinc/59/81/30/563598130.db2.gz UVDXEOJZYODVLG-INIZCTEOSA-N 1 0 395.297 2.830 20 0 GFADRO Cc1cc(N2CCC[C@@H]([NH2+]Cc3cc(O)ccc3Br)C2)n(C)n1 ZINC000332432110 563598388 /nfs/dbraw/zinc/59/83/88/563598388.db2.gz QDYYXOSDIUCNTC-CQSZACIVSA-N 1 0 379.302 2.955 20 0 GFADRO C[NH+](C)Cc1ccc(S(=O)(=O)N2CCC(n3cc(Cl)cn3)CC2)cc1 ZINC000332435634 563599075 /nfs/dbraw/zinc/59/90/75/563599075.db2.gz GVGDEBJYYWCKEA-UHFFFAOYSA-N 1 0 382.917 2.624 20 0 GFADRO C[C@H]([NH2+]CCCn1cc(Br)cn1)c1ccc2c(c1)OCC(=O)N2 ZINC000287408553 563600544 /nfs/dbraw/zinc/60/05/44/563600544.db2.gz RHZQGEASFNIOGI-NSHDSACASA-N 1 0 379.258 2.717 20 0 GFADRO CCC(=O)N[C@@H]1CCCN(Cc2cc(Br)c3c(c2)OCCO3)C1 ZINC000332514128 563602468 /nfs/dbraw/zinc/60/24/68/563602468.db2.gz LKUZVMZODFOFHH-CYBMUJFWSA-N 1 0 383.286 2.711 20 0 GFADRO CNC(=O)c1cccc(NC(=O)N[C@H](C)C2=CC[N@H+](C)CC2)c1Br ZINC000287453950 563602651 /nfs/dbraw/zinc/60/26/51/563602651.db2.gz QDKXNCPPMDUGOP-LLVKDONJSA-N 1 0 395.301 2.581 20 0 GFADRO Cc1cc(NC(=O)C2CC[NH+](C3CC3)CC2)ncc1I ZINC000411043925 563603000 /nfs/dbraw/zinc/60/30/00/563603000.db2.gz PIOPIHOTIDLFFB-UHFFFAOYSA-N 1 0 385.249 2.808 20 0 GFADRO CC(C)[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)N(C)CC1CC[NH+](C)CC1 ZINC000332561988 563604119 /nfs/dbraw/zinc/60/41/19/563604119.db2.gz RYSYSTFXCBYMJW-MRXNPFEDSA-N 1 0 385.961 2.956 20 0 GFADRO [NH3+][C@@H]1CCCN(C(=O)C(=O)N2CCC(c3c(Cl)cccc3Cl)CC2)C1 ZINC000332558627 563604196 /nfs/dbraw/zinc/60/41/96/563604196.db2.gz SYTGVCCNGNPWJP-CYBMUJFWSA-N 1 0 384.307 2.649 20 0 GFADRO CCOC(=O)[C@@H](Cc1cc(Cl)cc(Cl)c1)NC(=O)[C@H](C[NH3+])C(C)C ZINC000433147837 563604875 /nfs/dbraw/zinc/60/48/75/563604875.db2.gz DUHDMUGVAOXZBU-HUUCEWRRSA-N 1 0 375.296 2.815 20 0 GFADRO Cc1cc(Br)cc(C[NH2+]C[C@]2(O)CCO[C@H]2C)c1OC(F)F ZINC000433183005 563606088 /nfs/dbraw/zinc/60/60/88/563606088.db2.gz QJRPGNQUAWVDHK-ZUZCIYMTSA-N 1 0 380.229 2.988 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)c2cnn(-c3ccc(Br)cc3)c2)CC[N@@H+]1C ZINC000332633189 563608853 /nfs/dbraw/zinc/60/88/53/563608853.db2.gz HMYPITXXXOWTRR-IUODEOHRSA-N 1 0 377.286 2.847 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)N[C@H]1CCN(c2ccccc2Br)C1 ZINC000332650569 563609451 /nfs/dbraw/zinc/60/94/51/563609451.db2.gz ILBUZYXVDJIQCL-DZKIICNBSA-N 1 0 395.345 2.939 20 0 GFADRO O=c1cc(C[N@H+]2CC[C@@H](Cc3ccc(Br)cc3)C2)[nH]c2ccnn21 ZINC000433317819 563609409 /nfs/dbraw/zinc/60/94/09/563609409.db2.gz DWLWLTVKDCCJCX-AWEZNQCLSA-N 1 0 387.281 2.850 20 0 GFADRO C[C@@H](O)C[N@@H+]1CCN(Cc2c(F)c(F)c(Br)c(F)c2F)C[C@H]1C ZINC000411237635 563611274 /nfs/dbraw/zinc/61/12/74/563611274.db2.gz JZERFECCVZKHQR-RKDXNWHRSA-N 1 0 399.226 2.892 20 0 GFADRO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1nc(-c2ccc(C)s2)cs1 ZINC000287630488 563611451 /nfs/dbraw/zinc/61/14/51/563611451.db2.gz NFZCMPPJYCGJBR-NSHDSACASA-N 1 0 380.539 2.965 20 0 GFADRO CC[NH+](CC)CCNC(=O)C(=O)N[C@@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000411247041 563612184 /nfs/dbraw/zinc/61/21/84/563612184.db2.gz SZYCOBWUBKWNKB-ZDUSSCGKSA-N 1 0 379.810 2.518 20 0 GFADRO C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000332766107 563613711 /nfs/dbraw/zinc/61/37/11/563613711.db2.gz SMNXFQRFJOYRFK-CQDKDKBSSA-N 1 0 384.307 2.855 20 0 GFADRO CSc1cc(NC(=O)C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)ccc1Cl ZINC000411424929 563619029 /nfs/dbraw/zinc/61/90/29/563619029.db2.gz LKAYIWMBINDSRV-DOMZBBRYSA-N 1 0 381.929 2.943 20 0 GFADRO O=C(Cc1cc(F)ccc1Br)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000433776444 563619937 /nfs/dbraw/zinc/61/99/37/563619937.db2.gz YVWIOWKUFQFXMZ-UHFFFAOYSA-N 1 0 375.201 3.350 20 0 GFADRO CNc1cc(I)ccc1C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000411472766 563620154 /nfs/dbraw/zinc/62/01/54/563620154.db2.gz NQIOKXLDHLHROR-OLZOCXBDSA-N 1 0 399.276 2.690 20 0 GFADRO Cc1cc(Br)c(S(=O)(=O)N[C@@H]2C[C@@H](C)n3ccnc32)s1 ZINC000333128376 563621188 /nfs/dbraw/zinc/62/11/88/563621188.db2.gz WLLIJZZKFQZYSS-GMSGAONNSA-N 1 0 376.301 3.000 20 0 GFADRO Cc1nc(NC(=O)N2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)ccc1Br ZINC000333156215 563622832 /nfs/dbraw/zinc/62/28/32/563622832.db2.gz NBWTZTBWXLDZEX-GOEBONIOSA-N 1 0 397.317 2.903 20 0 GFADRO COCC[N@H+](C)CCCNC(=O)N(C)Cc1ccc(Br)cc1C ZINC000433918563 563623282 /nfs/dbraw/zinc/62/32/82/563623282.db2.gz KHWYWIUHGZCVSM-UHFFFAOYSA-N 1 0 386.334 2.867 20 0 GFADRO C[C@@H](CNc1ccc(Br)c(C(F)(F)F)n1)N1CC[NH+](C)CC1 ZINC000287932683 563623265 /nfs/dbraw/zinc/62/32/65/563623265.db2.gz PNNFZIDVOYWHJZ-JTQLQIEISA-N 1 0 381.240 2.911 20 0 GFADRO CCO[C@@H]1COCC[C@H]1[NH2+]CCC(=O)Nc1ccc(Br)cc1F ZINC000411557836 563623564 /nfs/dbraw/zinc/62/35/64/563623564.db2.gz KLUFQRYWTYJHLK-HUUCEWRRSA-N 1 0 389.265 2.700 20 0 GFADRO COc1cc(Br)c(NC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1OC ZINC000333195751 563623984 /nfs/dbraw/zinc/62/39/84/563623984.db2.gz WDOIVWGQXNVHRI-GHMZBOCLSA-N 1 0 384.274 2.540 20 0 GFADRO O=C(Nc1cc(Br)ccc1-n1cccn1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000333226180 563624837 /nfs/dbraw/zinc/62/48/37/563624837.db2.gz XKXSRUNWIBUPIH-KRWDZBQOSA-N 1 0 390.285 2.852 20 0 GFADRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)Nc3cc(Br)ccc3-n3cccn3)C[C@H]12 ZINC000333223327 563624936 /nfs/dbraw/zinc/62/49/36/563624936.db2.gz WZEGWXDJFFEJCP-KWCYVHTRSA-N 1 0 390.285 2.836 20 0 GFADRO O=C(c1nn(-c2ccc(F)cc2)cc1Br)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000333247554 563625305 /nfs/dbraw/zinc/62/53/05/563625305.db2.gz CNMIEUALUJKLTB-XHDPSFHLSA-N 1 0 393.260 2.598 20 0 GFADRO O=C(Nc1ccc2nccnc2c1Br)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000333281034 563626702 /nfs/dbraw/zinc/62/67/02/563626702.db2.gz HPILHYDTXBBQLI-GHMZBOCLSA-N 1 0 376.258 2.608 20 0 GFADRO [NH3+][C@@H]1CCO[C@@H](C2CCN(C(=O)c3ccc(Br)cc3F)CC2)C1 ZINC000333301243 563627395 /nfs/dbraw/zinc/62/73/95/563627395.db2.gz QBZCQMJNZRUTKK-CZUORRHYSA-N 1 0 385.277 2.947 20 0 GFADRO [NH3+][C@@H]1CCO[C@H](C2CCN(C(=O)Cc3ccc(Br)cc3)CC2)C1 ZINC000333314644 563628220 /nfs/dbraw/zinc/62/82/20/563628220.db2.gz SKRNHNDLAQBQML-SJORKVTESA-N 1 0 381.314 2.737 20 0 GFADRO Cc1ccc(Br)c(NC(=O)C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)c1 ZINC000434560217 563632462 /nfs/dbraw/zinc/63/24/62/563632462.db2.gz ZWQIQVYCPFXTBH-AWEZNQCLSA-N 1 0 394.313 2.829 20 0 GFADRO Cc1cc(CC(C)(C)[NH2+]CC(=O)NC[C@@H]2CCCO2)ccc1Br ZINC000411761329 563633468 /nfs/dbraw/zinc/63/34/68/563633468.db2.gz VBOPDCIBIWHQHC-HNNXBMFYSA-N 1 0 383.330 2.963 20 0 GFADRO O=C(N[C@H]1CCC[NH2+]C1)N1CCC(Nc2cccc(Br)c2)CC1 ZINC000333466524 563633536 /nfs/dbraw/zinc/63/35/36/563633536.db2.gz AHOXZDOMCYEFCW-INIZCTEOSA-N 1 0 381.318 2.787 20 0 GFADRO Cc1ncsc1CCS(=O)(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000333485614 563634131 /nfs/dbraw/zinc/63/41/31/563634131.db2.gz YOCILTPSLKMPMM-UHFFFAOYSA-N 1 0 385.599 2.957 20 0 GFADRO COCC[C@@H](Cc1cccc(Br)c1)C(=O)NC1(C)CC[NH2+]CC1 ZINC000434692071 563635696 /nfs/dbraw/zinc/63/56/96/563635696.db2.gz DFBGYTCTEZEMKQ-HNNXBMFYSA-N 1 0 383.330 2.903 20 0 GFADRO Cc1nc(C(=O)N2CCC[C@H]3C[NH2+]C[C@H]32)nn1-c1c(Cl)cccc1Cl ZINC000333592871 563636808 /nfs/dbraw/zinc/63/68/08/563636808.db2.gz SZZKRDLGNWXQRY-SMDDNHRTSA-N 1 0 380.279 2.707 20 0 GFADRO O=S1(=O)CCCN1C1CC[NH+](CCOc2cc(Cl)cc(Cl)c2)CC1 ZINC000411834253 563637293 /nfs/dbraw/zinc/63/72/93/563637293.db2.gz NMOAOHYDATYUNM-UHFFFAOYSA-N 1 0 393.336 2.872 20 0 GFADRO O=S(=O)(N(Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2)N1CCCCCC1 ZINC000333639758 563638027 /nfs/dbraw/zinc/63/80/27/563638027.db2.gz BZQPIOUJCMUQPJ-KRWDZBQOSA-N 1 0 383.583 2.813 20 0 GFADRO [NH3+][C@@H]1CCCO[C@H]1C1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000333638952 563638089 /nfs/dbraw/zinc/63/80/89/563638089.db2.gz HUNLZZUKKRMAJC-ZBFHGGJFSA-N 1 0 393.336 2.900 20 0 GFADRO CCOc1c(Br)cc(C[NH2+]CC2(N3CCOCC3)CC2)cc1OC ZINC000434797059 563638601 /nfs/dbraw/zinc/63/86/01/563638601.db2.gz WKLXSRUNTREFDX-UHFFFAOYSA-N 1 0 399.329 2.811 20 0 GFADRO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000333665980 563638648 /nfs/dbraw/zinc/63/86/48/563638648.db2.gz MJCJSEKZUYJCBY-HZPDHXFCSA-N 1 0 393.336 2.900 20 0 GFADRO Cc1csc(Sc2ccc(NC(=O)C(=O)N[C@@H](C)C[NH+](C)C)cc2)n1 ZINC000288343689 563638960 /nfs/dbraw/zinc/63/89/60/563638960.db2.gz YUTQWPAGEVNYFX-NSHDSACASA-N 1 0 378.523 2.608 20 0 GFADRO [NH3+][C@H]1CCCO[C@H]1C1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC000333725766 563640628 /nfs/dbraw/zinc/64/06/28/563640628.db2.gz VJNIPJYYJZYXQV-GJZGRUSLSA-N 1 0 393.336 2.900 20 0 GFADRO COc1cc(C[NH2+][C@@H]2COc3ccccc3[C@H]2O)cc(Br)c1O ZINC000288412227 563642313 /nfs/dbraw/zinc/64/23/13/563642313.db2.gz AOWYXCKMLCBUDA-CZUORRHYSA-N 1 0 380.238 2.748 20 0 GFADRO CN(C)C(=O)[C@H]1CC[N@H+](Cc2ccnc(-c3ccc(Br)cc3)n2)C1 ZINC000411962318 563642708 /nfs/dbraw/zinc/64/27/08/563642708.db2.gz ZORKXVFJHBVXFB-AWEZNQCLSA-N 1 0 389.297 2.816 20 0 GFADRO C[NH+](C)CCCOc1cnccc1CNC(=O)N1CCC=C(Br)C1 ZINC000288429658 563642847 /nfs/dbraw/zinc/64/28/47/563642847.db2.gz PHPBJZVNYNPGLF-UHFFFAOYSA-N 1 0 397.317 2.606 20 0 GFADRO [NH3+][C@H]1CCCO[C@H]1C1CCN(C(=O)c2c(F)cccc2Br)CC1 ZINC000333849519 563643768 /nfs/dbraw/zinc/64/37/68/563643768.db2.gz PTIWQQMDQYXBEF-HOCLYGCPSA-N 1 0 385.277 2.947 20 0 GFADRO COC1([C@@H](C)[NH2+]C[C@H](O)COc2cc(F)cc(Br)c2)CCC1 ZINC000412019097 563645058 /nfs/dbraw/zinc/64/50/58/563645058.db2.gz DLNTXSPFZCSYRC-RISCZKNCSA-N 1 0 376.266 2.875 20 0 GFADRO C[NH+](C)C[C@@H]1CCCN1S(=O)(=O)c1cc(Br)ccc1Cl ZINC000435216047 563645084 /nfs/dbraw/zinc/64/50/84/563645084.db2.gz INTACQGOIAMEMZ-NSHDSACASA-N 1 0 381.723 2.817 20 0 GFADRO COC(=O)[C@H]1CSCC[N@H+](CC(=O)N(C)[C@@H](C)c2ccc(Cl)cc2)C1 ZINC000412074584 563646554 /nfs/dbraw/zinc/64/65/54/563646554.db2.gz LVGWAAKRHQURSW-DZGCQCFKSA-N 1 0 384.929 2.697 20 0 GFADRO COC(=O)[C@@H]1CSCC[N@@H+]([C@@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2)C1 ZINC000412074246 563647118 /nfs/dbraw/zinc/64/71/18/563647118.db2.gz LKGXOLJCBRPMAV-YDHLFZDLSA-N 1 0 384.929 2.744 20 0 GFADRO CCN(CC)C(=O)C1CCN([C@@H](C(N)=O)c2ccc(Br)cc2)CC1 ZINC000435414935 563648768 /nfs/dbraw/zinc/64/87/68/563648768.db2.gz HKKQBXJRBHAEPA-MRXNPFEDSA-N 1 0 396.329 2.556 20 0 GFADRO CN(CCC[NH+]1CCCC1)C(=O)C1(c2cccc(Br)c2)CC(=O)C1 ZINC000412319785 563653740 /nfs/dbraw/zinc/65/37/40/563653740.db2.gz UNVFRZYXMHUTCL-UHFFFAOYSA-N 1 0 393.325 2.994 20 0 GFADRO CC1(C)CN(C(=O)c2ccc3cc(I)ccc3n2)CC[NH2+]1 ZINC000435756982 563658276 /nfs/dbraw/zinc/65/82/76/563658276.db2.gz WQJQCJIIMVZBDP-UHFFFAOYSA-N 1 0 395.244 2.663 20 0 GFADRO C[C@@H](NC(=O)[C@@]12CCC[C@@H]1C[NH2+]C2)c1cc2c(cc1Br)OCCO2 ZINC000435890090 563660041 /nfs/dbraw/zinc/66/00/41/563660041.db2.gz XLUGVLLBDGHJQU-SEDUGSJDSA-N 1 0 395.297 2.787 20 0 GFADRO O=C(c1c(F)cccc1I)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000289222822 563672328 /nfs/dbraw/zinc/67/23/28/563672328.db2.gz LHLAEMKLZONHBR-HNNXBMFYSA-N 1 0 388.224 2.646 20 0 GFADRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)c2ccc(Br)cc2O)C1 ZINC000436575824 563674666 /nfs/dbraw/zinc/67/46/66/563674666.db2.gz NSQRVIMPODZJAN-AWEZNQCLSA-N 1 0 385.302 2.728 20 0 GFADRO CO[C@H](C[NH3+])C(=O)Nc1cc(C)nn1-c1cc(C(F)(F)F)ccc1Cl ZINC000289476085 563676017 /nfs/dbraw/zinc/67/60/17/563676017.db2.gz DXRZMVSCBMNVPM-GFCCVEGCSA-N 1 0 376.766 2.765 20 0 GFADRO CN1CC[N@H+](C)C[C@H]1CNCc1cc(C(F)(F)F)ccc1Br ZINC000289586606 563679255 /nfs/dbraw/zinc/67/92/55/563679255.db2.gz TVGHYTGGPZOVPH-CYBMUJFWSA-N 1 0 380.252 2.803 20 0 GFADRO COC(=O)CC1([NH2+]Cc2ncc(I)s2)CCCC1 ZINC000289576035 563679568 /nfs/dbraw/zinc/67/95/68/563679568.db2.gz HORGXDKWMIHEKI-UHFFFAOYSA-N 1 0 380.251 2.713 20 0 GFADRO Cn1ncc(Br)c1-c1nc(-c2ccc(OCC[NH+](C)C)cc2)no1 ZINC000351188694 563683173 /nfs/dbraw/zinc/68/31/73/563683173.db2.gz WSEMFBHSNJUZTK-UHFFFAOYSA-N 1 0 392.257 2.840 20 0 GFADRO C[N@H+](CCCCNc1cnn(-c2ccccn2)c(=O)c1Br)C1CC1 ZINC000413343201 563690198 /nfs/dbraw/zinc/69/01/98/563690198.db2.gz AGYPMJACWAMRBX-UHFFFAOYSA-N 1 0 392.301 2.676 20 0 GFADRO COc1cc(Cl)c(C[NH2+]C[C@@H]2CCC[C@]23NC(=O)N(C)C3=O)cc1Cl ZINC000359979988 563690239 /nfs/dbraw/zinc/69/02/39/563690239.db2.gz WFEWOXOZCYWSMN-GTNSWQLSSA-N 1 0 386.279 2.812 20 0 GFADRO CC[C@H]1[NH2+]CC[C@H]1C(=O)Nc1cc(Br)ccc1N1CCOCC1 ZINC000289898481 563690247 /nfs/dbraw/zinc/69/02/47/563690247.db2.gz IZMKTUIISLNTGI-ZIAGYGMSSA-N 1 0 382.302 2.612 20 0 GFADRO CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H](c1cc(Cl)ccc1Cl)[C@H]1CCOC1 ZINC000360025157 563691133 /nfs/dbraw/zinc/69/11/33/563691133.db2.gz XKYYMXCPMDTEST-ZIBATOQPSA-N 1 0 388.295 2.895 20 0 GFADRO C[NH+](C)C[C@@H](Cc1ccccc1)NS(=O)(=O)c1cnc2ccsc2c1 ZINC000437223038 563691206 /nfs/dbraw/zinc/69/12/06/563691206.db2.gz RRFOJEJFNZYVCO-OAHLLOKOSA-N 1 0 375.519 2.748 20 0 GFADRO C[C@]1(C[C@@H]2CCC[N@@H+]2Cc2ccc(Br)c(F)c2)NC(=O)NC1=O ZINC000289950799 563692250 /nfs/dbraw/zinc/69/22/50/563692250.db2.gz YSBKZTZHABKDGK-MEDUHNTESA-N 1 0 384.249 2.541 20 0 GFADRO CC[NH+](CC)CCN(CCC(F)(F)F)S(=O)(=O)c1cnn(C(C)C)c1 ZINC000437320186 563693148 /nfs/dbraw/zinc/69/31/48/563693148.db2.gz FFFKSHYRASIHKJ-UHFFFAOYSA-N 1 0 384.468 2.749 20 0 GFADRO Cc1ccc(S(=O)(=O)NCC[NH2+]C2CCN(c3ccccc3)CC2)s1 ZINC000360700477 563694311 /nfs/dbraw/zinc/69/43/11/563694311.db2.gz SOSDLKAJEIZORT-UHFFFAOYSA-N 1 0 379.551 2.593 20 0 GFADRO CC(C)(CO)[C@@H]([NH2+]C[C@@H](O)c1ccc(S(C)(=O)=O)cc1)c1cccs1 ZINC000289999342 563694342 /nfs/dbraw/zinc/69/43/42/563694342.db2.gz YXBKNHGROBEIOQ-WBVHZDCISA-N 1 0 383.535 2.534 20 0 GFADRO Clc1cnn([C@@H]2CCN(CCC[N@@H+]3CC[C@@H](n4cc(Cl)cn4)C3)C2)c1 ZINC000290069349 563696523 /nfs/dbraw/zinc/69/65/23/563696523.db2.gz YEYFAPRVEJKBNE-IAGOWNOFSA-N 1 0 383.327 2.970 20 0 GFADRO COCc1cccc(C[NH2+]C2CCN(S(=O)(=O)c3cccs3)CC2)c1 ZINC000361460992 563699761 /nfs/dbraw/zinc/69/97/61/563699761.db2.gz FYVFLYNIXNDBOE-UHFFFAOYSA-N 1 0 380.535 2.837 20 0 GFADRO CN(C)C(=O)CC[NH+]1CCN(Cc2cc(Cl)cc(C(F)(F)F)c2)CC1 ZINC000438123151 563701521 /nfs/dbraw/zinc/70/15/21/563701521.db2.gz XMZAWRBUBCTMKM-UHFFFAOYSA-N 1 0 377.838 2.955 20 0 GFADRO O=C(N[C@H](CO)C[NH+]1CCCCC1)C1(c2cc(F)cc(Br)c2)CC1 ZINC000413799774 563705885 /nfs/dbraw/zinc/70/58/85/563705885.db2.gz OSPYRMFTTRPXIN-INIZCTEOSA-N 1 0 399.304 2.583 20 0 GFADRO C[NH+]1CCC(CNC(=O)c2c(Cl)cccc2Cl)(N2CCOCC2)CC1 ZINC000413872209 563708127 /nfs/dbraw/zinc/70/81/27/563708127.db2.gz DSXCSXCDBGRCKD-UHFFFAOYSA-N 1 0 386.323 2.520 20 0 GFADRO CCOCC(C)(C)C[NH2+][C@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000290423266 563708889 /nfs/dbraw/zinc/70/88/89/563708889.db2.gz UUIFWNKQWNETKT-LLVKDONJSA-N 1 0 393.347 2.810 20 0 GFADRO C[C@@H](C[NH+]1CCOCC1)C(=O)N(C)[C@H]1CCOc2ccc(Br)cc21 ZINC000438637017 563708957 /nfs/dbraw/zinc/70/89/57/563708957.db2.gz MRXIJJLZFUCEPF-BBRMVZONSA-N 1 0 397.313 2.699 20 0 GFADRO COc1cc(C[NH2+][C@@H]2CCc3nc(C)ncc3C2)cc(Br)c1O ZINC000362953210 563711076 /nfs/dbraw/zinc/71/10/76/563711076.db2.gz VXCQQCCACZUNBY-CYBMUJFWSA-N 1 0 378.270 2.909 20 0 GFADRO Cc1ncc2c(n1)CC[C@@H]([NH2+]Cc1cc3c(c(Br)c1)OCO3)C2 ZINC000362951568 563711114 /nfs/dbraw/zinc/71/11/14/563711114.db2.gz HZJDTCKODVZSDM-CYBMUJFWSA-N 1 0 376.254 2.923 20 0 GFADRO COC(=O)[C@H]1CN(C(=O)c2cc3c(ccc(Cl)c3Cl)[nH]2)CC[N@H+](C)C1 ZINC000413923272 563711404 /nfs/dbraw/zinc/71/14/04/563711404.db2.gz QUSNLQCXKRAMLB-SNVBAGLBSA-N 1 0 384.263 2.652 20 0 GFADRO COCC[N@@H+]1CCCN(C(=O)c2cc3c(cccc3Br)[nH]2)CC1 ZINC000363021079 563712888 /nfs/dbraw/zinc/71/28/88/563712888.db2.gz DKPGIYQBCXZPMS-UHFFFAOYSA-N 1 0 380.286 2.725 20 0 GFADRO CCC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCCN2C(=O)c2ccc(Cl)s2)C1 ZINC000363030717 563712893 /nfs/dbraw/zinc/71/28/93/563712893.db2.gz BLZILEXHAJDYAQ-UONOGXRCSA-N 1 0 383.945 2.854 20 0 GFADRO C[C@@H]1C[N@@H+](C2CCN(C(=O)COc3ccc(Br)cc3)CC2)CCO1 ZINC000363089816 563713961 /nfs/dbraw/zinc/71/39/61/563713961.db2.gz NJWDSJAUFRAVDN-CQSZACIVSA-N 1 0 397.313 2.540 20 0 GFADRO C[C@@H](CN1CCC[C@@H](C)C1)[NH2+]C1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000363160201 563716000 /nfs/dbraw/zinc/71/60/00/563716000.db2.gz ALCWZDOOHPSXKZ-CVEARBPZSA-N 1 0 385.599 2.611 20 0 GFADRO C[C@H](C[C@H](O)c1cccs1)[NH2+][C@H]1CCCc2ccc(S(N)(=O)=O)cc21 ZINC000290630604 563716177 /nfs/dbraw/zinc/71/61/77/563716177.db2.gz IYJOSPFKQNTIHL-DQYPLSBCSA-N 1 0 380.535 2.875 20 0 GFADRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)Nc2ccc(F)cc2I)C1 ZINC000415257700 563764196 /nfs/dbraw/zinc/76/41/96/563764196.db2.gz ZVUWZWDLCKNJFN-PSASIEDQSA-N 1 0 377.201 2.679 20 0 GFADRO COc1ccc(Br)cc1NC(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000363221311 563717297 /nfs/dbraw/zinc/71/72/97/563717297.db2.gz PHTXTNOSNHEVCR-HUUCEWRRSA-N 1 0 398.301 2.521 20 0 GFADRO C[C@H](CCCNC(=O)OC(C)(C)C)[NH2+]CCn1cc(Br)cn1 ZINC000290687798 563718214 /nfs/dbraw/zinc/71/82/14/563718214.db2.gz MIPIGXLAPJOMMQ-GFCCVEGCSA-N 1 0 375.311 2.929 20 0 GFADRO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@H](c1ccsc1)N(C)C ZINC000414076231 563718273 /nfs/dbraw/zinc/71/82/73/563718273.db2.gz YCUKWPWIPOJWKC-SWLSCSKDSA-N 1 0 384.343 2.953 20 0 GFADRO CCc1nn(C)c(CC)c1C[NH2+][C@H](C)Cn1cc(Br)ccc1=O ZINC000414088376 563718941 /nfs/dbraw/zinc/71/89/41/563718941.db2.gz BEMJQBQPYWGOOP-GFCCVEGCSA-N 1 0 381.318 2.647 20 0 GFADRO CC[C@@H]1C[N@H+](C)CCCN1S(=O)(=O)c1cc(C)cc(Br)c1 ZINC000439211035 563719612 /nfs/dbraw/zinc/71/96/12/563719612.db2.gz CPKXCBCYFVRTOB-CQSZACIVSA-N 1 0 375.332 2.862 20 0 GFADRO CC[C@H]1C[N@H+](C)CCCN1S(=O)(=O)c1ccc(Br)cc1C ZINC000439214677 563720105 /nfs/dbraw/zinc/72/01/05/563720105.db2.gz OOJZGZNSTQSRPC-AWEZNQCLSA-N 1 0 375.332 2.862 20 0 GFADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@]1(CO)C[C@H]1c1ccccc1 ZINC000414139787 563721120 /nfs/dbraw/zinc/72/11/20/563721120.db2.gz HLNKGDSSSIBBSQ-LJHODMEESA-N 1 0 391.309 2.755 20 0 GFADRO C[C@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH2+]C[C@H]1CNC(=O)C1 ZINC000414179904 563721995 /nfs/dbraw/zinc/72/19/95/563721995.db2.gz AXDKFIQZELYGIZ-ZJUUUORDSA-N 1 0 377.794 2.802 20 0 GFADRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)c3csc(-c4cccs4)n3)CC2)C1 ZINC000363421305 563722105 /nfs/dbraw/zinc/72/21/05/563722105.db2.gz BXLCZMYCIOVZPB-CQSZACIVSA-N 1 0 376.551 2.724 20 0 GFADRO COc1ccc(S(=O)(=O)N2CCC([NH2+][C@@H](C)c3nccs3)CC2)cc1 ZINC000414217777 563722712 /nfs/dbraw/zinc/72/27/12/563722712.db2.gz CLQLKROZEXQNQW-ZDUSSCGKSA-N 1 0 381.523 2.656 20 0 GFADRO OC[C@@H]([NH2+]C[C@H](O)COc1cc(F)cc(Br)c1)c1ccccc1 ZINC000439427239 563723758 /nfs/dbraw/zinc/72/37/58/563723758.db2.gz CRSXCBOHWUQWTR-DOTOQJQBSA-N 1 0 384.245 2.651 20 0 GFADRO C[N@H+](C[C@H](O)COc1cc(F)cc(Br)c1)C[C@@H]1CCCC[C@H]1O ZINC000439428193 563723791 /nfs/dbraw/zinc/72/37/91/563723791.db2.gz YIDNOPZXXDASFI-YLQAJVPDSA-N 1 0 390.293 2.811 20 0 GFADRO O[C@H](COc1cc(F)cc(Br)c1)C[NH+]1CCC(n2ccnc2)CC1 ZINC000439420451 563723883 /nfs/dbraw/zinc/72/38/83/563723883.db2.gz IZDSFHJNQCBDIN-INIZCTEOSA-N 1 0 398.276 2.862 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+][C@H]2CCCc3occc32)cc1Br ZINC000414267069 563723944 /nfs/dbraw/zinc/72/39/44/563723944.db2.gz IOOHFISZASQWPP-ZDUSSCGKSA-N 1 0 385.283 2.857 20 0 GFADRO CC[C@H](O)[C@H]1CCCC[N@@H+]1C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000439437911 563724417 /nfs/dbraw/zinc/72/44/17/563724417.db2.gz LBMVBBRUHBSZAU-OIISXLGYSA-N 1 0 390.293 2.953 20 0 GFADRO CN(C)c1ncc(C[NH2+]C[C@H]2CCN(c3cccc(Br)c3)C2)n1C ZINC000414299501 563725312 /nfs/dbraw/zinc/72/53/12/563725312.db2.gz HXPFVEWCNIILQV-CQSZACIVSA-N 1 0 392.345 2.865 20 0 GFADRO COc1cccc([C@@H](C)[NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)c1 ZINC000414290364 563725626 /nfs/dbraw/zinc/72/56/26/563725626.db2.gz NMAFFGQGEGECMW-LLVKDONJSA-N 1 0 399.310 2.956 20 0 GFADRO C[C@H](Cn1cc(Br)cn1)[NH2+][C@H]1CCN(c2ccc(F)cc2)C1=O ZINC000414316057 563725955 /nfs/dbraw/zinc/72/59/55/563725955.db2.gz NLFVSVLKVMUAJB-ABAIWWIYSA-N 1 0 381.249 2.568 20 0 GFADRO CNc1snc(C)c1C(=O)N[C@@H]1CC[N@H+](Cc2cnc(C)s2)C[C@@H]1C ZINC000363550351 563726332 /nfs/dbraw/zinc/72/63/32/563726332.db2.gz AHQHUMJHQKDGHK-IINYFYTJSA-N 1 0 379.555 2.899 20 0 GFADRO CC[C@@H]1C[N@H+](C[C@H](O)COc2cc(F)cc(Br)c2)CCCO1 ZINC000439484367 563727439 /nfs/dbraw/zinc/72/74/39/563727439.db2.gz OECDBHDYFSAJCV-LSDHHAIUSA-N 1 0 376.266 2.829 20 0 GFADRO CN(C)c1ncc(C[NH2+][C@H]2CCN(c3ccccc3Br)C2)n1C ZINC000414349142 563728303 /nfs/dbraw/zinc/72/83/03/563728303.db2.gz JTQMKFYVZAZCBZ-ZDUSSCGKSA-N 1 0 378.318 2.617 20 0 GFADRO C[C@@H](C[NH2+]Cc1ccc(S(N)(=O)=O)c(Cl)c1)N(C)Cc1ccccc1 ZINC000414349708 563728421 /nfs/dbraw/zinc/72/84/21/563728421.db2.gz PUKZOUNTASPZLM-AWEZNQCLSA-N 1 0 381.929 2.598 20 0 GFADRO CN1CC[C@@H]([NH2+]Cc2ccc(S(C)(=O)=O)s2)[C@H]1c1ccc(F)c(F)c1 ZINC000414369152 563730335 /nfs/dbraw/zinc/73/03/35/563730335.db2.gz TYOVQHLCASJRNX-NVXWUHKLSA-N 1 0 386.489 2.965 20 0 GFADRO CC[N@H+](CCO)CCNC(=O)Nc1cc(F)c(Br)cc1Cl ZINC000439648408 563730637 /nfs/dbraw/zinc/73/06/37/563730637.db2.gz PFALFYXNFSNMLM-UHFFFAOYSA-N 1 0 382.661 2.677 20 0 GFADRO COC(=O)[C@@]12CCC[C@H]1C[N@H+](Cc1nnc(-c3ccc(Br)o3)o1)C2 ZINC000363686079 563730785 /nfs/dbraw/zinc/73/07/85/563730785.db2.gz CUPKVJMJYSTMHD-MGPLVRAMSA-N 1 0 396.241 2.867 20 0 GFADRO C[C@H](C[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1)Oc1ccccc1 ZINC000414398594 563733659 /nfs/dbraw/zinc/73/36/59/563733659.db2.gz WMICPCYJBCZDHF-GFCCVEGCSA-N 1 0 399.310 2.654 20 0 GFADRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)Nc2cc(Cl)c(Cl)cc2F)C1 ZINC000439967230 563733976 /nfs/dbraw/zinc/73/39/76/563733976.db2.gz LWLIDWVWRKNHCT-SNVBAGLBSA-N 1 0 391.274 2.841 20 0 GFADRO COC(=O)C[C@H](NC(=O)[C@H]1C[NH+]2CCC1CC2)c1cccc(Br)c1 ZINC000363836776 563734697 /nfs/dbraw/zinc/73/46/97/563734697.db2.gz VUYFFFDQMVSAES-HOTGVXAUSA-N 1 0 395.297 2.511 20 0 GFADRO CC[NH+](CC)C[C@H](C)NS(=O)(=O)c1c2ccccc2sc1C(=O)OC ZINC000440072156 563735248 /nfs/dbraw/zinc/73/52/48/563735248.db2.gz BRWJALHRYGXSQB-LBPRGKRZSA-N 1 0 384.523 2.697 20 0 GFADRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NS(=O)(=O)Cc1ccc(Br)cc1 ZINC000440104290 563736243 /nfs/dbraw/zinc/73/62/43/563736243.db2.gz XCTFOKCNRVKVQV-KBPBESRZSA-N 1 0 389.359 2.989 20 0 GFADRO O=S(=O)(c1sccc1Cl)N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000414465713 563741611 /nfs/dbraw/zinc/74/16/11/563741611.db2.gz SMTCBKXBUBJTCJ-ZDUSSCGKSA-N 1 0 378.947 2.667 20 0 GFADRO O=C(NC1CC1)C1CC[NH+](CCOc2cc(F)cc(Br)c2)CC1 ZINC000364098000 563743410 /nfs/dbraw/zinc/74/34/10/563743410.db2.gz FIYOWKJTVZGINS-UHFFFAOYSA-N 1 0 385.277 2.958 20 0 GFADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+]C[C@H](C)CCOC ZINC000414476836 563743481 /nfs/dbraw/zinc/74/34/81/563743481.db2.gz AAEPBKXSKFWQJC-CHWSQXEVSA-N 1 0 387.318 2.725 20 0 GFADRO COC(=O)CN1CCC([NH2+]CCc2c[nH]c3cccc(Br)c23)CC1 ZINC000291448898 563743804 /nfs/dbraw/zinc/74/38/04/563743804.db2.gz CIBKNBLVUQEIRV-UHFFFAOYSA-N 1 0 394.313 2.700 20 0 GFADRO CC1(c2ccc(Br)cc2)CC[NH+](CC(=O)N2CCOCC2)CC1 ZINC000440518894 563744146 /nfs/dbraw/zinc/74/41/46/563744146.db2.gz SPUVLHJFXLTMBI-UHFFFAOYSA-N 1 0 381.314 2.661 20 0 GFADRO Cn1c2ccc(C(F)(F)F)cc2nc1C[NH2+]CCC(C)(C)S(C)(=O)=O ZINC000414516412 563746227 /nfs/dbraw/zinc/74/62/27/563746227.db2.gz OLGYDUDKRDFRJQ-UHFFFAOYSA-N 1 0 377.432 2.895 20 0 GFADRO C[C@H](NS(=O)(=O)c1ccc(Cl)cc1Br)[C@@H]1CCC[NH2+]C1 ZINC000440731998 563748896 /nfs/dbraw/zinc/74/88/96/563748896.db2.gz HATZRORVEKKXFH-VHSXEESVSA-N 1 0 381.723 2.769 20 0 GFADRO COC(=O)c1cc(Br)cc(C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)c1 ZINC000291602964 563749289 /nfs/dbraw/zinc/74/92/89/563749289.db2.gz CTHDLFBEZRMHLM-MRXNPFEDSA-N 1 0 395.297 2.936 20 0 GFADRO C[NH2+]Cc1cccc(NC(=O)C(=O)NCCc2ccc(Br)s2)c1 ZINC000414681444 563749893 /nfs/dbraw/zinc/74/98/93/563749893.db2.gz PFEDCOAGJGRRPB-UHFFFAOYSA-N 1 0 396.310 2.527 20 0 GFADRO Cc1cc(NC(=O)N2C[C@H](C[NH3+])C3(C2)CCOCC3)ccc1Br ZINC000414695855 563750129 /nfs/dbraw/zinc/75/01/29/563750129.db2.gz FTVCUWGVHUCAMW-ZDUSSCGKSA-N 1 0 382.302 2.977 20 0 GFADRO O=C(CN1CCC[C@H]1C[N@H+]1CCC[C@H]1CO)Nc1c(Cl)cccc1Cl ZINC000364355504 563750308 /nfs/dbraw/zinc/75/03/08/563750308.db2.gz FPFFKPLVMNHPDY-KBPBESRZSA-N 1 0 386.323 2.853 20 0 GFADRO Cc1c(Br)cccc1S(=O)(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000440840422 563751539 /nfs/dbraw/zinc/75/15/39/563751539.db2.gz GHGHDKOSUULAEH-HNNXBMFYSA-N 1 0 387.343 2.910 20 0 GFADRO Cc1cc(F)c(Br)cc1S(=O)(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000440838547 563751585 /nfs/dbraw/zinc/75/15/85/563751585.db2.gz SOAKBUZASVTCRG-WDMOLILDSA-N 1 0 391.306 2.645 20 0 GFADRO C[NH2+]CCN(C)S(=O)(=O)c1ccc(Br)c(Cl)c1Cl ZINC000440840488 563751623 /nfs/dbraw/zinc/75/16/23/563751623.db2.gz GPVVGBICBPVLQS-UHFFFAOYSA-N 1 0 376.103 2.596 20 0 GFADRO CC1(CNS(=O)(=O)c2cc(Cl)ccc2Br)CC[NH2+]CC1 ZINC000440864967 563752606 /nfs/dbraw/zinc/75/26/06/563752606.db2.gz NYOXWTZWFABDBM-UHFFFAOYSA-N 1 0 381.723 2.771 20 0 GFADRO CC[C@@H]([NH2+][C@@H]1CCN(CCN2CCOCC2)C1)c1ccc(Br)cc1 ZINC000364459094 563753689 /nfs/dbraw/zinc/75/36/89/563753689.db2.gz QSUQOLNIVBRPTR-RTBURBONSA-N 1 0 396.373 2.896 20 0 GFADRO C[C@@H](CCC[NH3+])NC(=O)Nc1cc(Br)ccc1N1CCOCC1 ZINC000414935693 563754352 /nfs/dbraw/zinc/75/43/52/563754352.db2.gz WBSUREVJANHUSZ-LBPRGKRZSA-N 1 0 385.306 2.535 20 0 GFADRO CS(=O)(=O)[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 ZINC000364469213 563754517 /nfs/dbraw/zinc/75/45/17/563754517.db2.gz TURDTLGLHKKTGR-IAOVAPTHSA-N 1 0 384.929 2.638 20 0 GFADRO C[N@@H+]1CC[C@@H](CNC(=O)c2cccnc2Br)[C@@H]1c1cccnc1 ZINC000364579154 563758429 /nfs/dbraw/zinc/75/84/29/563758429.db2.gz XLQYOMBJTGAWSB-ZFWWWQNUSA-N 1 0 375.270 2.662 20 0 GFADRO COc1ccc(I)c(NC(=O)N2CC[C@H]([C@@H](C)[NH3+])C2)c1 ZINC000415075533 563758970 /nfs/dbraw/zinc/75/89/70/563758970.db2.gz QRYVMZLEYNRMBN-ZJUUUORDSA-N 1 0 389.237 2.501 20 0 GFADRO O=C(NCCC[NH2+]C1CC1)Nc1cc(F)c(I)c(F)c1 ZINC000415120226 563759760 /nfs/dbraw/zinc/75/97/60/563759760.db2.gz LAZCCGFABQELPM-UHFFFAOYSA-N 1 0 395.191 2.833 20 0 GFADRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)Nc1cc(F)c(I)c(F)c1 ZINC000415121651 563759766 /nfs/dbraw/zinc/75/97/66/563759766.db2.gz NCLMMMJVZACODP-JGVFFNPUSA-N 1 0 395.191 2.784 20 0 GFADRO CON(C)C(=O)C1CC[NH+](CCC(=O)Nc2ccccc2Br)CC1 ZINC000291831186 563760712 /nfs/dbraw/zinc/76/07/12/563760712.db2.gz OFCJSMMTDOBUQZ-UHFFFAOYSA-N 1 0 398.301 2.510 20 0 GFADRO CCO[C@@H](CC[NH+](C)C)CNS(=O)(=O)c1c(Cl)ccc(C)c1Cl ZINC000441549612 563762129 /nfs/dbraw/zinc/76/21/29/563762129.db2.gz YJFMLLBWYWKABB-LBPRGKRZSA-N 1 0 383.341 2.937 20 0 GFADRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)Nc1cc(F)c(F)cc1I ZINC000415239024 563762871 /nfs/dbraw/zinc/76/28/71/563762871.db2.gz NNXFRPXEZNDUMK-WRWORJQWSA-N 1 0 395.191 2.689 20 0 GFADRO [NH3+]C[C@H]1CC[C@H](NC(=O)Nc2cc(F)c(F)cc2I)C1 ZINC000415222904 563762880 /nfs/dbraw/zinc/76/28/80/563762880.db2.gz HCYCFBPOQBSBNB-YUMQZZPRSA-N 1 0 395.191 2.818 20 0 GFADRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)Nc1cc(F)c(F)cc1I ZINC000415225040 563763162 /nfs/dbraw/zinc/76/31/62/563763162.db2.gz BKFJSNKVYHFMMW-JMCQJSRRSA-N 1 0 395.191 2.689 20 0 GFADRO C[C@H](C(=O)Nc1cccc(Br)c1)N1CCC(F)(F)[C@H](CO)C1 ZINC000291887489 563763429 /nfs/dbraw/zinc/76/34/29/563763429.db2.gz QNINQHSCFGZHHR-MNOVXSKESA-N 1 0 377.229 2.726 20 0 GFADRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)Nc1cc(F)c(F)cc1I ZINC000415244336 563763710 /nfs/dbraw/zinc/76/37/10/563763710.db2.gz XPWNXPJTRLKEOU-SFYZADRCSA-N 1 0 395.191 2.770 20 0 GFADRO O=C(Nc1ccc(F)cc1I)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000415252056 563764071 /nfs/dbraw/zinc/76/40/71/563764071.db2.gz NVKSQHIJNNNZCZ-UWVGGRQHSA-N 1 0 389.212 2.504 20 0 GFADRO [NH3+]C1CCN(C(=O)Nc2cc(I)ccc2Cl)CC1 ZINC000415267299 563764677 /nfs/dbraw/zinc/76/46/77/563764677.db2.gz MLVSYHGALXNJLQ-UHFFFAOYSA-N 1 0 379.629 2.900 20 0 GFADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)[C@H](C)c2cccc(Br)c2)CC1 ZINC000291962102 563767009 /nfs/dbraw/zinc/76/70/09/563767009.db2.gz RNIFQKNBJXAQQV-JKSUJKDBSA-N 1 0 396.373 2.942 20 0 GFADRO CC[C@H](NC(=O)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O)c1nc(C(F)(F)F)cs1 ZINC000364884498 563767126 /nfs/dbraw/zinc/76/71/26/563767126.db2.gz XNFTZZIJJZOUEN-GYIHNLGQSA-N 1 0 375.416 2.544 20 0 GFADRO Cc1cc(Br)ccc1C(=O)N1CCC([NH2+]CC2(C)OCCO2)CC1 ZINC000364897697 563767460 /nfs/dbraw/zinc/76/74/60/563767460.db2.gz PQSBBIINYCWRRD-UHFFFAOYSA-N 1 0 397.313 2.715 20 0 GFADRO CCOC(=O)c1c(NC(=O)N2CC[C@H]([C@@H](C)[NH3+])C2)sc2c1CCSC2 ZINC000415327788 563767515 /nfs/dbraw/zinc/76/75/15/563767515.db2.gz BPBSPVTZKBPAFL-MNOVXSKESA-N 1 0 383.539 2.915 20 0 GFADRO CCOC(=O)c1cc(Br)ccc1NC(=O)N1CCC[C@@H]([NH2+]C)C1 ZINC000415343437 563768215 /nfs/dbraw/zinc/76/82/15/563768215.db2.gz BMRCEFFDXVTKQG-GFCCVEGCSA-N 1 0 384.274 2.842 20 0 GFADRO CCOC(=O)c1c(NC(=O)N[C@H]2CC[NH2+]C2(C)C)sc2c1CCSC2 ZINC000415345159 563768907 /nfs/dbraw/zinc/76/89/07/563768907.db2.gz XYKPNWDAASOSLX-LBPRGKRZSA-N 1 0 383.539 2.976 20 0 GFADRO CCOC(=O)c1c(NC(=O)N[C@H]2CC[NH2+]C[C@@H]2C)sc2c1CCSC2 ZINC000415345228 563768923 /nfs/dbraw/zinc/76/89/23/563768923.db2.gz YGDFFCFJWNFBLX-JQWIXIFHSA-N 1 0 383.539 2.834 20 0 GFADRO CCOC(=O)c1cc(Br)ccc1NC(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000415349785 563768961 /nfs/dbraw/zinc/76/89/61/563768961.db2.gz MEEKUWJWBYQLSU-NSHDSACASA-N 1 0 384.274 2.747 20 0 GFADRO CCOC(=O)c1cc(Br)ccc1NC(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000415353441 563769400 /nfs/dbraw/zinc/76/94/00/563769400.db2.gz QSODRPSZMXEOAZ-MNOVXSKESA-N 1 0 384.274 2.840 20 0 GFADRO C[C@H](NC(=O)C(=O)Nc1ccc(C(F)(F)F)cc1Cl)[C@H]1CCC[NH2+]C1 ZINC000415351547 563769449 /nfs/dbraw/zinc/76/94/49/563769449.db2.gz JODIHFRKLTUJFO-UWVGGRQHSA-N 1 0 377.794 2.802 20 0 GFADRO C[C@H](CCCC[NH3+])NC(=O)c1cc(S(=O)(=O)NC(C)(C)C)ccc1Cl ZINC000292022867 563769710 /nfs/dbraw/zinc/76/97/10/563769710.db2.gz FQBQKOAACAFOEI-GFCCVEGCSA-N 1 0 389.949 2.664 20 0 GFADRO CCOC(=O)c1cc(Br)ccc1NC(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000415355454 563769872 /nfs/dbraw/zinc/76/98/72/563769872.db2.gz TZQQYMFZYFFJSR-MFKMUULPSA-N 1 0 384.274 2.745 20 0 GFADRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)Nc1cnn(-c2ccccc2Br)c1 ZINC000415355951 563770165 /nfs/dbraw/zinc/77/01/65/563770165.db2.gz PSRUTBYICXRPCX-SMDDNHRTSA-N 1 0 378.274 2.754 20 0 GFADRO C[C@@H](NC(=O)C(=O)Nc1ccc(Cl)cc1Br)[C@H]1CCC[NH2+]C1 ZINC000415364320 563770499 /nfs/dbraw/zinc/77/04/99/563770499.db2.gz XUVHKJOLYIQOMB-ZJUUUORDSA-N 1 0 388.693 2.545 20 0 GFADRO [NH3+]C1CCC(NC(=O)C(=O)Nc2cccnc2-c2ccc(Cl)s2)CC1 ZINC000415369587 563771323 /nfs/dbraw/zinc/77/13/23/563771323.db2.gz MOKBTDOLJVOGBA-UHFFFAOYSA-N 1 0 378.885 2.788 20 0 GFADRO C[NH2+]C[C@@H]1CCN(C(=O)Nc2c(F)cc(C)cc2I)C1 ZINC000415383235 563772003 /nfs/dbraw/zinc/77/20/03/563772003.db2.gz BLHVWOPMPXZTSI-JTQLQIEISA-N 1 0 391.228 2.812 20 0 GFADRO C[NH2+]CC1CCN(C(=O)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)CC1 ZINC000415394514 563772408 /nfs/dbraw/zinc/77/24/08/563772408.db2.gz COZGXTZBZSBETH-UHFFFAOYSA-N 1 0 377.794 2.755 20 0 GFADRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)Nc1ccc(Br)c(Cl)c1Cl ZINC000415406596 563773209 /nfs/dbraw/zinc/77/32/09/563773209.db2.gz DTZLAYOPQJVOQW-SSDOTTSWSA-N 1 0 397.100 2.666 20 0 GFADRO COC(=O)c1cc(NC(=O)N2CCC[C@@H](C)[C@@H]2C[NH3+])ccc1Br ZINC000415414433 563773560 /nfs/dbraw/zinc/77/35/60/563773560.db2.gz ZODLWQGHTLXJHO-YGRLFVJLSA-N 1 0 384.274 2.827 20 0 GFADRO C[C@@H]([NH2+][C@@H](CO)c1ccc(Br)cc1)C(=O)NCc1cccs1 ZINC000292116863 563774434 /nfs/dbraw/zinc/77/44/34/563774434.db2.gz HQJUSVIMBMIRQM-ABAIWWIYSA-N 1 0 383.311 2.839 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)Nc2cc(Cl)ccc2C(F)(F)F)C1 ZINC000415433549 563775462 /nfs/dbraw/zinc/77/54/62/563775462.db2.gz GSZIAYGLZWBPJR-NXEZZACHSA-N 1 0 377.794 2.883 20 0 GFADRO CS(=O)(=O)c1ccc(NC(=O)N[C@H]2CCCC[C@H]2C[NH3+])cc1C(F)F ZINC000415450179 563776300 /nfs/dbraw/zinc/77/63/00/563776300.db2.gz ZIMTXXZXPKPWNI-GWCFXTLKSA-N 1 0 375.441 2.667 20 0 GFADRO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)Nc1cc(Br)cc(C(F)(F)F)c1 ZINC000415448653 563776329 /nfs/dbraw/zinc/77/63/29/563776329.db2.gz VFHHTLJKUPULGJ-NSHDSACASA-N 1 0 396.207 2.506 20 0 GFADRO O=C(C[NH2+][C@@H]1CCO[C@H]1C1CC1)Nc1c(F)cc(F)cc1Br ZINC000365198245 563776917 /nfs/dbraw/zinc/77/69/17/563776917.db2.gz FDSLCJZFYSBPKQ-DOMZBBRYSA-N 1 0 375.213 2.823 20 0 GFADRO C[C@H]1CN(C(=O)C(=O)Nc2ccc(Br)c3ccccc23)CC[C@@H]1[NH3+] ZINC000415464127 563776998 /nfs/dbraw/zinc/77/69/98/563776998.db2.gz QUQKAPCAKSRCJY-NHYWBVRUSA-N 1 0 390.281 2.737 20 0 GFADRO C[C@@H]1CN(c2ncc(Br)cc2Cl)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000365195256 563777103 /nfs/dbraw/zinc/77/71/03/563777103.db2.gz ZUHCPGQFWKCXAA-IUODEOHRSA-N 1 0 387.753 2.960 20 0 GFADRO COC(=O)c1cc(Br)c(F)cc1NC(=O)N[C@@H]1CCC[NH2+][C@H]1C ZINC000415472666 563777689 /nfs/dbraw/zinc/77/76/89/563777689.db2.gz YFLIMAHTMQOLDJ-QPUJVOFHSA-N 1 0 388.237 2.637 20 0 GFADRO O=C(Cc1cc[nH]c(=O)c1Br)N1CCC[C@@H]([NH+]2CCCCC2)C1 ZINC000365214018 563777762 /nfs/dbraw/zinc/77/77/62/563777762.db2.gz AMTAICMWVVQYBD-CQSZACIVSA-N 1 0 382.302 2.569 20 0 GFADRO CCOc1c(Cl)cc(NC(=O)C(=O)N(C)CC(C)(C)C[NH3+])cc1Cl ZINC000415479126 563778248 /nfs/dbraw/zinc/77/82/48/563778248.db2.gz DWMFHJMFKNGZLS-UHFFFAOYSA-N 1 0 376.284 2.774 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)Nc2nnc(-c3cccc(Br)c3)s2)C1 ZINC000415492122 563778876 /nfs/dbraw/zinc/77/88/76/563778876.db2.gz AMYPVIZSYQKOSU-MWLCHTKSSA-N 1 0 396.314 3.169 20 0 GFADRO CC(C)C[C@](C)(C[NH3+])NC(=O)Nc1cc(Br)cnc1-n1cccn1 ZINC000415486360 563779064 /nfs/dbraw/zinc/77/90/64/563779064.db2.gz PZHHGHOYLGGLGL-MRXNPFEDSA-N 1 0 395.305 2.915 20 0 GFADRO CCC[NH2+]CCNC(=O)Nc1nnc(-c2cccc(Br)c2)s1 ZINC000415498580 563779678 /nfs/dbraw/zinc/77/96/78/563779678.db2.gz JVWBRYUTUOYAQL-UHFFFAOYSA-N 1 0 384.303 3.089 20 0 GFADRO CCCN(C(=O)C(=O)Nc1ccc(Br)c(C)c1)C1CC[NH2+]CC1 ZINC000415501271 563779711 /nfs/dbraw/zinc/77/97/11/563779711.db2.gz OBRHSVCQKIDDFR-UHFFFAOYSA-N 1 0 382.302 2.687 20 0 GFADRO Cc1ccc(I)cc1NC(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000415505692 563780143 /nfs/dbraw/zinc/78/01/43/563780143.db2.gz JNFFVVLAGWRQLN-NEPJUHHUSA-N 1 0 385.249 2.673 20 0 GFADRO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)Nc1ccc(Br)cc1Cl ZINC000415504708 563780459 /nfs/dbraw/zinc/78/04/59/563780459.db2.gz PILGPCREFAPFRC-GFCCVEGCSA-N 1 0 390.709 2.873 20 0 GFADRO Cc1ccc(I)cc1NC(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000415509455 563780855 /nfs/dbraw/zinc/78/08/55/563780855.db2.gz UFOZVCWXFFQMPO-LLVKDONJSA-N 1 0 395.191 2.718 20 0 GFADRO C[C@](C[NH3+])(NC(=O)Nc1ccnn1Cc1ccc(Br)cc1)C1CC1 ZINC000415520273 563781286 /nfs/dbraw/zinc/78/12/86/563781286.db2.gz ASOWVOMMNXWEGI-QGZVFWFLSA-N 1 0 392.301 2.943 20 0 GFADRO O=C(Nc1ccc(Br)cc1F)C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000415519605 563781582 /nfs/dbraw/zinc/78/15/82/563781582.db2.gz NVLGXUQARWWJFK-AWEZNQCLSA-N 1 0 398.276 2.517 20 0 GFADRO CCOC[C@H]1CCC[C@H]1[NH2+]CCNS(=O)(=O)c1ccc(Cl)cc1F ZINC000442887972 563782914 /nfs/dbraw/zinc/78/29/14/563782914.db2.gz CLQLXAURNVJFBH-IUODEOHRSA-N 1 0 378.897 2.552 20 0 GFADRO C[C@@H]([NH2+]CCOc1cccc(S(C)(=O)=O)c1)[C@H]1OCCc2sccc21 ZINC000292320822 563783028 /nfs/dbraw/zinc/78/30/28/563783028.db2.gz FJBNRPSGGIIDNM-FZKQIMNGSA-N 1 0 381.519 2.823 20 0 GFADRO C[C@H]1C[C@H](NC(=O)Nc2ccnn2Cc2cccc(Br)c2)CC[NH2+]1 ZINC000415529809 563783287 /nfs/dbraw/zinc/78/32/87/563783287.db2.gz UIKIEPXVAUFJPF-SWLSCSKDSA-N 1 0 392.301 2.956 20 0 GFADRO CO[C@@H]1CCN(C(=O)Nc2cc(Br)c(F)cc2F)[C@H](C[NH3+])C1 ZINC000415554551 563784509 /nfs/dbraw/zinc/78/45/09/563784509.db2.gz HFCXYGODEGNRJB-DTWKUNHWSA-N 1 0 378.217 2.697 20 0 GFADRO Cc1ccc(-c2csc(NC(=O)C(=O)NCC3(C)CC[NH2+]CC3)n2)s1 ZINC000415574410 563784830 /nfs/dbraw/zinc/78/48/30/563784830.db2.gz RLHCAACDVKZWIW-UHFFFAOYSA-N 1 0 378.523 2.624 20 0 GFADRO O=S(=O)(c1ccccc1Br)N1C[C@@H]2[C@H]3CCCC[N@H+]3C[C@H]2C1 ZINC000365539210 563786193 /nfs/dbraw/zinc/78/61/93/563786193.db2.gz PDHKBFLEXRUCOL-KCQAQPDRSA-N 1 0 385.327 2.554 20 0 GFADRO O=C(Nc1cccc(Cl)c1Br)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000415598250 563786268 /nfs/dbraw/zinc/78/62/68/563786268.db2.gz VQDKGAMPZKGREY-NSHDSACASA-N 1 0 387.709 2.614 20 0 GFADRO C[NH+]1CCN([C@@H]2CCCCN(C(=O)c3csc(Br)c3)C2)CC1 ZINC000365588733 563787397 /nfs/dbraw/zinc/78/73/97/563787397.db2.gz LAINADFNPBIMFY-CQSZACIVSA-N 1 0 386.359 2.753 20 0 GFADRO O=C(Nc1cc(Cl)cc(C(F)(F)F)c1)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000415605760 563787395 /nfs/dbraw/zinc/78/73/95/563787395.db2.gz QSVXIOAQKYQZNR-HNNXBMFYSA-N 1 0 375.778 2.509 20 0 GFADRO COC(=O)c1cc(F)c(Br)cc1NC(=O)NC1(C[NH3+])CCCC1 ZINC000415630266 563788854 /nfs/dbraw/zinc/78/88/54/563788854.db2.gz CJBMULJBBVHWLW-UHFFFAOYSA-N 1 0 388.237 2.768 20 0 GFADRO [NH3+]C[C@H](NC(=O)Nc1cc(Br)cc(C(=O)N2CCCC2)c1)C1CC1 ZINC000415638685 563789305 /nfs/dbraw/zinc/78/93/05/563789305.db2.gz ONZJBPGUVWQRSX-HNNXBMFYSA-N 1 0 395.301 2.544 20 0 GFADRO CC(C)(C)[C@H](C[NH3+])NC(=O)Nc1ccnn1-c1ccc(Br)cn1 ZINC000415638821 563789938 /nfs/dbraw/zinc/78/99/38/563789938.db2.gz OZUFSTUPDIEMQR-NSHDSACASA-N 1 0 381.278 2.525 20 0 GFADRO [NH3+]C[C@@H](NC(=O)Nc1cc(Br)cc(C(=O)N2CCCC2)c1)C1CC1 ZINC000415638688 563790211 /nfs/dbraw/zinc/79/02/11/563790211.db2.gz ONZJBPGUVWQRSX-OAHLLOKOSA-N 1 0 395.301 2.544 20 0 GFADRO [NH3+]C[C@H]1CCCC[C@H]1NC(=O)Nc1ccnn1-c1ccc(Br)cn1 ZINC000415642798 563790213 /nfs/dbraw/zinc/79/02/13/563790213.db2.gz VWCWVRAMWKXUKS-DGCLKSJQSA-N 1 0 393.289 2.669 20 0 GFADRO Cc1ccc(NC(=O)C(=O)NC[C@H]2[NH2+]CCCC2(C)C)cc1Br ZINC000415676325 563790607 /nfs/dbraw/zinc/79/06/07/563790607.db2.gz MKHOPKSYPXSJIL-CQSZACIVSA-N 1 0 382.302 2.590 20 0 GFADRO CC[NH2+][C@H](C)CNC(=O)C(=O)Nc1cccc(Cl)c1SCC(F)F ZINC000415657079 563790733 /nfs/dbraw/zinc/79/07/33/563790733.db2.gz MRZWNXDVWPGUMH-SECBINFHSA-N 1 0 379.860 2.750 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000415676648 563790807 /nfs/dbraw/zinc/79/08/07/563790807.db2.gz LFTXAQPJXFZSLG-ZDUSSCGKSA-N 1 0 382.302 2.592 20 0 GFADRO C[C@H]1C[C@H](NC(=O)C(=O)Nc2cccc(Cl)c2SCC(F)F)CC[NH2+]1 ZINC000415665450 563790897 /nfs/dbraw/zinc/79/08/97/563790897.db2.gz DFNVLHDLHVYNPL-VHSXEESVSA-N 1 0 391.871 2.892 20 0 GFADRO Cc1cc(NC(=O)C(=O)N2CCC[C@H](CC[NH3+])C2)cc(C)c1Br ZINC000415681083 563791251 /nfs/dbraw/zinc/79/12/51/563791251.db2.gz SVIXYKZIOYVRIN-CYBMUJFWSA-N 1 0 382.302 2.592 20 0 GFADRO COC(=O)c1cc(NC(=O)NC2CCC([NH3+])CC2)c(C)cc1Br ZINC000415701632 563792036 /nfs/dbraw/zinc/79/20/36/563792036.db2.gz BYHBZTQMHVWASI-UHFFFAOYSA-N 1 0 384.274 2.936 20 0 GFADRO COC(=O)c1cc(NC(=O)N2C[C@@H](C[NH3+])C[C@H]2C)c(C)cc1Br ZINC000415709048 563792826 /nfs/dbraw/zinc/79/28/26/563792826.db2.gz OUASMZAXMRBGPS-GHMZBOCLSA-N 1 0 384.274 2.745 20 0 GFADRO Cc1cc(I)cc(NC(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000415717302 563793396 /nfs/dbraw/zinc/79/33/96/563793396.db2.gz YAMXWNMJQDXBTI-RISCZKNCSA-N 1 0 385.249 2.815 20 0 GFADRO CS(=O)(=O)N[C@H]1CCC[C@@H]1C[NH2+]Cc1ccc(Sc2ccccn2)o1 ZINC000292698078 563793484 /nfs/dbraw/zinc/79/34/84/563793484.db2.gz NWKWOYDVXIVIJW-HIFRSBDPSA-N 1 0 381.523 2.633 20 0 GFADRO COC(=O)CN(Cc1cccc(Br)c1)C(=O)CC1CC[NH+](C)CC1 ZINC000292697319 563793613 /nfs/dbraw/zinc/79/36/13/563793613.db2.gz CBHWEJAYGQXGJN-UHFFFAOYSA-N 1 0 397.313 2.683 20 0 GFADRO C[C@H]1CCCN(C(=O)Nc2ccn(-c3ccc(Br)cc3)n2)[C@H]1C[NH3+] ZINC000415752657 563794449 /nfs/dbraw/zinc/79/44/49/563794449.db2.gz FCEOYRKPHZMIQD-WFASDCNBSA-N 1 0 392.301 3.226 20 0 GFADRO C[C@@H]1CCCN(C(=O)Nc2ccn(-c3ccc(Br)cc3)n2)[C@@H]1C[NH3+] ZINC000415752655 563794607 /nfs/dbraw/zinc/79/46/07/563794607.db2.gz FCEOYRKPHZMIQD-IUODEOHRSA-N 1 0 392.301 3.226 20 0 GFADRO CC(C)C[C@@H](C[NH3+])NC(=O)Nc1ccn(-c2ccc(Br)cc2)n1 ZINC000415759533 563795189 /nfs/dbraw/zinc/79/51/89/563795189.db2.gz QTPHKEHWNUZQME-ZDUSSCGKSA-N 1 0 380.290 3.130 20 0 GFADRO COc1cc(Cl)c(C)cc1NC(=O)CN1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000365863991 563795524 /nfs/dbraw/zinc/79/55/24/563795524.db2.gz TVGRMCMEUZPSPR-CQSZACIVSA-N 1 0 383.945 2.719 20 0 GFADRO CC(C)Sc1ccc(Cl)cc1NC(=O)C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000415770423 563795580 /nfs/dbraw/zinc/79/55/80/563795580.db2.gz QKBNSTAZSJFCLY-TZMCWYRMSA-N 1 0 381.929 2.989 20 0 GFADRO CC(C)Sc1c(Cl)cccc1NC(=O)C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000415773182 563795593 /nfs/dbraw/zinc/79/55/93/563795593.db2.gz VDHAVLWMIZGUOR-TZMCWYRMSA-N 1 0 381.929 2.989 20 0 GFADRO CC(C)c1cc(Br)ccc1NC(=O)C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000415778923 563796354 /nfs/dbraw/zinc/79/63/54/563796354.db2.gz KEOGTIVKZJMSJJ-WFASDCNBSA-N 1 0 394.313 2.721 20 0 GFADRO O=C(NCCC[C@H]1CCC[NH2+]1)C(=O)Nc1cc(Cl)cc(Br)c1 ZINC000415803928 563796951 /nfs/dbraw/zinc/79/69/51/563796951.db2.gz KOEDOAWKRQKSEA-GFCCVEGCSA-N 1 0 388.693 2.689 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H](CNC(=O)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)C1 ZINC000415802708 563796998 /nfs/dbraw/zinc/79/69/98/563796998.db2.gz GIYVRKRZMNZIAE-MWLCHTKSSA-N 1 0 377.794 2.931 20 0 GFADRO [NH3+][C@H]1CCC[C@H](CNC(=O)C(=O)Nc2cc(Cl)cc(C(F)(F)F)c2)C1 ZINC000415806687 563797493 /nfs/dbraw/zinc/79/74/93/563797493.db2.gz KHZTWWOEDXGBOX-CABZTGNLSA-N 1 0 377.794 2.931 20 0 GFADRO CC1(C)CN(C(=O)C(=O)Nc2cccnc2-c2ccc(Cl)s2)CC[NH2+]1 ZINC000415822264 563798157 /nfs/dbraw/zinc/79/81/57/563798157.db2.gz LFNDBYMDECZJRF-UHFFFAOYSA-N 1 0 378.885 2.612 20 0 GFADRO O=C(N[C@@H](CCO)c1ccc(Cl)c(Cl)c1)N[C@@H]1CCc2[nH]cnc2C1 ZINC000366095703 563798981 /nfs/dbraw/zinc/79/89/81/563798981.db2.gz UQRKWKIHWOJQCA-RISCZKNCSA-N 1 0 383.279 2.997 20 0 GFADRO Cc1cc(Cl)cc(NC(=O)C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)c1Br ZINC000415833348 563799178 /nfs/dbraw/zinc/79/91/78/563799178.db2.gz MYUHHKJZJNUBPR-MWLCHTKSSA-N 1 0 388.693 2.593 20 0 GFADRO Cc1ccc2nc(NC(=O)CN3CC[NH+]([C@H]4CCSC4)CC3)sc2c1 ZINC000366098705 563799235 /nfs/dbraw/zinc/79/92/35/563799235.db2.gz WTEOBXNJXGAYCP-AWEZNQCLSA-N 1 0 376.551 2.666 20 0 GFADRO CC(C)Sc1ccc(Cl)cc1NC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000415895853 563800625 /nfs/dbraw/zinc/80/06/25/563800625.db2.gz QBKZWADECPXQEH-QWHCGFSZSA-N 1 0 381.929 2.847 20 0 GFADRO C[C@@H](CNC(=O)N[C@H](CC[NH3+])C(F)(F)F)Oc1cccc(Br)c1 ZINC000415991634 563801909 /nfs/dbraw/zinc/80/19/09/563801909.db2.gz AACHLJHGELWIIS-JOYOIKCWSA-N 1 0 398.223 2.795 20 0 GFADRO C[C@@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1CC(=O)N(C)Cc1ccccc1Br ZINC000443340646 563802012 /nfs/dbraw/zinc/80/20/12/563802012.db2.gz AZDRFFKQYHBUAB-CPUCHLNUSA-N 1 0 383.330 2.889 20 0 GFADRO [NH3+]CC[C@H](NC(=O)N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1)C(F)(F)F ZINC000416003023 563802095 /nfs/dbraw/zinc/80/20/95/563802095.db2.gz GFHQBGWIWDPQAM-OLZOCXBDSA-N 1 0 383.773 2.842 20 0 GFADRO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)CN1CCC[C@@H](CO)CC1 ZINC000293127711 563802075 /nfs/dbraw/zinc/80/20/75/563802075.db2.gz MRKQFWWXGCOULU-LLVKDONJSA-N 1 0 389.279 2.813 20 0 GFADRO [NH3+]CC[C@H](NC(=O)N1CCOc2ccc(Br)cc2C1)C(F)(F)F ZINC000416037304 563803806 /nfs/dbraw/zinc/80/38/06/563803806.db2.gz BCXURTBMWKCJMG-LBPRGKRZSA-N 1 0 396.207 2.633 20 0 GFADRO COc1ccc(Br)c(CN(C)C(=O)N[C@H](CC[NH3+])C(F)(F)F)c1 ZINC000416055949 563804358 /nfs/dbraw/zinc/80/43/58/563804358.db2.gz XVNOKKNRNGPIHX-GFCCVEGCSA-N 1 0 398.223 2.879 20 0 GFADRO Cc1nc(C(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)nn1-c1c(Cl)cccc1Cl ZINC000293370808 563810122 /nfs/dbraw/zinc/81/01/22/563810122.db2.gz KXIGTLXDCXJKBC-BXUZGUMPSA-N 1 0 380.279 2.707 20 0 GFADRO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1ccc(Br)c(C2CC2)n1 ZINC000293381404 563810303 /nfs/dbraw/zinc/81/03/03/563810303.db2.gz LGAOQGJYZCWRAF-NSHDSACASA-N 1 0 397.317 2.507 20 0 GFADRO O=S(=O)(c1sccc1Br)N1CCC[C@H]2C[NH2+]CCC[C@H]21 ZINC000366487204 563810638 /nfs/dbraw/zinc/81/06/38/563810638.db2.gz SNVKCHUQCNXDRK-CMPLNLGQSA-N 1 0 379.345 2.663 20 0 GFADRO O=C(N[C@@H]1CC12CC[NH2+]CC2)[C@@H]1CCN(c2cc(Cl)ccc2Cl)C1=O ZINC000366577625 563814734 /nfs/dbraw/zinc/81/47/34/563814734.db2.gz YTAMBSKXHAESRL-SWLSCSKDSA-N 1 0 382.291 2.605 20 0 GFADRO CC[NH+]1CCN(c2cccc(NC(=O)c3nn(C)cc3Br)c2)CC1 ZINC000293516303 563816597 /nfs/dbraw/zinc/81/65/97/563816597.db2.gz OGJJIEJVUXNHFU-UHFFFAOYSA-N 1 0 392.301 2.577 20 0 GFADRO CC[NH+]1CCC(N(C)S(=O)(=O)c2cc(C)cc(Br)c2)CC1 ZINC000444063601 563819334 /nfs/dbraw/zinc/81/93/34/563819334.db2.gz GUGNFFROGKNPPR-UHFFFAOYSA-N 1 0 375.332 2.862 20 0 GFADRO COc1cc(OC)c(S(=O)(=O)NCCC[N@@H+]2CCCC[C@H]2C)cc1Cl ZINC000416376740 563819708 /nfs/dbraw/zinc/81/97/08/563819708.db2.gz WCNUTTGSOXPFIG-CYBMUJFWSA-N 1 0 390.933 2.900 20 0 GFADRO C[C@H](CNc1nnc(-c2cc(Cl)cc(Cl)c2)s1)N1CC[NH+](C)CC1 ZINC000444097575 563821439 /nfs/dbraw/zinc/82/14/39/563821439.db2.gz UWBRBUNNGTWGAE-LLVKDONJSA-N 1 0 386.352 3.560 20 0 GFADRO Cc1cc(S(=O)(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)c(F)cc1Br ZINC000416406942 563823896 /nfs/dbraw/zinc/82/38/96/563823896.db2.gz HJJCESNIMSAYJI-BXUZGUMPSA-N 1 0 393.322 2.857 20 0 GFADRO CS(=O)(=O)N1CC[C@H](C[NH+]2CCC(c3nc4ccccc4s3)CC2)C1 ZINC000366914840 563824418 /nfs/dbraw/zinc/82/44/18/563824418.db2.gz YCQRPAORSIEXMD-CQSZACIVSA-N 1 0 379.551 2.757 20 0 GFADRO Cc1cc(S(=O)(=O)N2CCC3(C2)CC[NH2+]CC3)sc1Br ZINC000366946178 563826050 /nfs/dbraw/zinc/82/60/50/563826050.db2.gz QEEYISNVSXTWLY-UHFFFAOYSA-N 1 0 379.345 2.583 20 0 GFADRO OCC1([C@@H]([NH2+]Cc2cc3c(cc2Br)OCO3)C2CC2)CCOCC1 ZINC000293953681 563828218 /nfs/dbraw/zinc/82/82/18/563828218.db2.gz IXHJJOIYSSNWEC-KRWDZBQOSA-N 1 0 398.297 2.835 20 0 GFADRO CC[N@@H+]1C[C@H](C)N(C(=O)c2cnc3ccc(Br)cc3c2O)C[C@@H]1C ZINC000444326086 563828344 /nfs/dbraw/zinc/82/83/44/563828344.db2.gz ORIDBCUTOHDIAY-RYUDHWBXSA-N 1 0 392.297 2.845 20 0 GFADRO COC[C@H]([NH2+]C[C@@](C)(O)c1ccc(Br)cc1F)[C@H]1CCCO1 ZINC000294013014 563829302 /nfs/dbraw/zinc/82/93/02/563829302.db2.gz GVADJMDZWOLTIY-ARFHVFGLSA-N 1 0 376.266 2.579 20 0 GFADRO C[C@H](Sc1nc2ccccc2s1)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000367149854 563833323 /nfs/dbraw/zinc/83/33/23/563833323.db2.gz ZGOJXBBOJDVVHK-MELADBBJSA-N 1 0 377.535 2.756 20 0 GFADRO O=C1NCCN(CCC[NH+]2CCCCC2)[C@H]1c1ccccc1Br ZINC000444607941 563834063 /nfs/dbraw/zinc/83/40/63/563834063.db2.gz ITYPGJMHLPJUTC-KRWDZBQOSA-N 1 0 380.330 2.798 20 0 GFADRO C[N@@H+]1CC[C@H]2CCN(S(=O)(=O)c3c(Cl)cccc3Br)C[C@H]21 ZINC000367178479 563834569 /nfs/dbraw/zinc/83/45/69/563834569.db2.gz JHTIYNMKDONBCN-GXFFZTMASA-N 1 0 393.734 2.817 20 0 GFADRO CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+]C[C@@H](O)COc2cccc(Cl)c2Cl)C1 ZINC000294256071 563836162 /nfs/dbraw/zinc/83/61/62/563836162.db2.gz NNNMPQWVZDCEOX-YNEHKIRRSA-N 1 0 396.336 2.679 20 0 GFADRO CCCC[N@H+](C)C[C@H](C)NS(=O)(=O)c1cc(Cl)c(OC)cc1OC ZINC000416483991 563836394 /nfs/dbraw/zinc/83/63/94/563836394.db2.gz PMTIEKHSHBAHQU-LBPRGKRZSA-N 1 0 378.922 2.756 20 0 GFADRO COc1cc(OC)c(S(=O)(=O)N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)cc1Cl ZINC000416488804 563837374 /nfs/dbraw/zinc/83/73/74/563837374.db2.gz PPRXFYDFLILHDH-STQMWFEESA-N 1 0 388.917 2.605 20 0 GFADRO O=C(N[C@H](CO)C[NH+]1CCCCC1)c1[nH]c2ccccc2c1Br ZINC000294295067 563837565 /nfs/dbraw/zinc/83/75/65/563837565.db2.gz HICCHBIFXSLQDP-LBPRGKRZSA-N 1 0 380.286 2.507 20 0 GFADRO COc1ccc(Br)c(S(=O)(=O)NCCCC[N@H+](C)C2CC2)c1 ZINC000416505092 563840170 /nfs/dbraw/zinc/84/01/70/563840170.db2.gz AMJFTIYPBZKMQK-UHFFFAOYSA-N 1 0 391.331 2.610 20 0 GFADRO COc1ccc(S(=O)(=O)NCCCC[N@H+](C)C2CC2)c(Br)c1 ZINC000416507905 563840663 /nfs/dbraw/zinc/84/06/63/563840663.db2.gz PMTJNJXIWHYCDM-UHFFFAOYSA-N 1 0 391.331 2.610 20 0 GFADRO O=S1(=O)CC[C@H]([NH2+]C2CCN(c3ccnc4c(Cl)cccc34)CC2)C1 ZINC000367348479 563841611 /nfs/dbraw/zinc/84/16/11/563841611.db2.gz OZMAZMWHLNTYBV-AWEZNQCLSA-N 1 0 379.913 2.634 20 0 GFADRO Cn1cc(Br)c(C(=O)NC[C@H](C2CC2)[N@H+](C)Cc2ccccc2)n1 ZINC000294458510 563842870 /nfs/dbraw/zinc/84/28/70/563842870.db2.gz ICEYUBFQONPFJC-MRXNPFEDSA-N 1 0 391.313 2.823 20 0 GFADRO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@@H]1CCC(=O)N[C@H]1C1CC1 ZINC000367439445 563844882 /nfs/dbraw/zinc/84/48/82/563844882.db2.gz UPPJQRAYOYKOAZ-MZKGEVEHSA-N 1 0 394.313 2.813 20 0 GFADRO CN(Cc1ccc(S(C)(=O)=O)cc1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000445348865 563848197 /nfs/dbraw/zinc/84/81/97/563848197.db2.gz GHHYAAIWBTVEDK-UHFFFAOYSA-N 1 0 378.460 2.939 20 0 GFADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)c2cccc(F)c2Br)CC1 ZINC000294611064 563848337 /nfs/dbraw/zinc/84/83/37/563848337.db2.gz DSOGLWYEOKGIBV-ZDUSSCGKSA-N 1 0 386.309 2.592 20 0 GFADRO Cc1cccc(S(=O)(=O)NCC[C@H]2CCC[N@@H+](C)C2)c1Br ZINC000416562302 563849188 /nfs/dbraw/zinc/84/91/88/563849188.db2.gz VYEWLOYZPDOODX-CYBMUJFWSA-N 1 0 375.332 2.768 20 0 GFADRO COc1ccc([C@H]2CC[NH2+]C[C@@H]2NC(=O)c2occc2Br)cc1 ZINC000367595182 563849765 /nfs/dbraw/zinc/84/97/65/563849765.db2.gz WJAMNAHXIFRONJ-HIFRSBDPSA-N 1 0 379.254 2.926 20 0 GFADRO C[NH+](C)C1(CNc2ncnc3cccc(I)c32)CCC1 ZINC000445607222 563850859 /nfs/dbraw/zinc/85/08/59/563850859.db2.gz FINDTGDFAGVLGS-UHFFFAOYSA-N 1 0 382.249 3.131 20 0 GFADRO Cc1c(S(=O)(=O)NCC2([NH+](C)C)CCC2)cnn1-c1ccc(Cl)cc1 ZINC000445713839 563852416 /nfs/dbraw/zinc/85/24/16/563852416.db2.gz KAGJFHDNSDQYMS-UHFFFAOYSA-N 1 0 382.917 2.597 20 0 GFADRO CC1CC[NH+](CC(=O)N2CCC(Cn3cc(Br)cn3)CC2)CC1 ZINC000367810598 563856026 /nfs/dbraw/zinc/85/60/26/563856026.db2.gz QUQSTKCEICAMMF-UHFFFAOYSA-N 1 0 383.334 2.616 20 0 GFADRO Cc1cc(N2CCC[C@@H]([N@H+](C)CC3(CO)CC3)C2=O)ccc1Br ZINC000446074849 563857937 /nfs/dbraw/zinc/85/79/37/563857937.db2.gz ZFQYXJLTMOSBOS-MRXNPFEDSA-N 1 0 381.314 2.957 20 0 GFADRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)Cc1cc[nH]c(=O)c1Br ZINC000446094608 563858362 /nfs/dbraw/zinc/85/83/62/563858362.db2.gz JCHRVUIROFDFNX-CQSZACIVSA-N 1 0 384.318 2.863 20 0 GFADRO COC1(C(F)(F)F)CCN(C(=O)NCC2(SC)CC[NH+](C)CC2)CC1 ZINC000416713700 563860160 /nfs/dbraw/zinc/86/01/60/563860160.db2.gz FPXKSJSUESBEBU-UHFFFAOYSA-N 1 0 383.480 2.567 20 0 GFADRO O=C(c1csc(I)c1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000367986426 563861572 /nfs/dbraw/zinc/86/15/72/563861572.db2.gz JMZGVTMJPHQPHP-NSHDSACASA-N 1 0 390.290 2.814 20 0 GFADRO Brc1c(CNC[C@@H]2CCC[C@H]2[NH+]2CCOCC2)nc2ccccn21 ZINC000368025591 563862118 /nfs/dbraw/zinc/86/21/18/563862118.db2.gz XJBLUGMMMBBQNP-GOEBONIOSA-N 1 0 393.329 2.687 20 0 GFADRO CC[C@H](c1ccc(Br)cc1)N1CCN(C(=O)[C@H]2C[C@H](F)C[NH2+]2)CC1 ZINC000446378941 563863214 /nfs/dbraw/zinc/86/32/14/563863214.db2.gz XWZVYJKMRJDEFS-GVDBMIGSSA-N 1 0 398.320 2.744 20 0 GFADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1cc[nH]c(=O)c1Br ZINC000446395610 563863310 /nfs/dbraw/zinc/86/33/10/563863310.db2.gz FMAKCJNMFLTTPP-DOMZBBRYSA-N 1 0 390.281 2.800 20 0 GFADRO Cc1cc(Br)c(F)cc1NC(=O)N1C[C@@H](C)[N@@H+](CCO)C[C@H]1C ZINC000416992538 563865384 /nfs/dbraw/zinc/86/53/84/563865384.db2.gz HRUKLSMNCZADOX-VXGBXAGGSA-N 1 0 388.281 2.815 20 0 GFADRO Cc1cc(Br)c(F)cc1NC(=O)N1C[C@@H](C)[N@@H+](CCO)C[C@@H]1C ZINC000416992534 563865425 /nfs/dbraw/zinc/86/54/25/563865425.db2.gz HRUKLSMNCZADOX-NEPJUHHUSA-N 1 0 388.281 2.815 20 0 GFADRO O=C(N1CC[C@H]2[NH2+]CC[C@@H]2C1)C1(c2ccc(Br)cc2)CCOCC1 ZINC000368168236 563865568 /nfs/dbraw/zinc/86/55/68/563865568.db2.gz SFFDHGWKUWEGKL-RHSMWYFYSA-N 1 0 393.325 2.708 20 0 GFADRO CC1(CNC(=O)C2CCN(C(=O)c3ccc(Cl)s3)CC2)CC[NH2+]CC1 ZINC000368172590 563865705 /nfs/dbraw/zinc/86/57/05/563865705.db2.gz DOCSZVOIJNOCAL-UHFFFAOYSA-N 1 0 383.945 2.760 20 0 GFADRO CCOc1c(Cl)cc(CNC(=O)N[C@@H]2C[NH2+]CCC2(F)F)cc1OC ZINC000417153905 563869080 /nfs/dbraw/zinc/86/90/80/563869080.db2.gz WFXSBWOVIJXJHW-CYBMUJFWSA-N 1 0 377.819 2.544 20 0 GFADRO COc1cc(C[NH2+][C@@H](CO)C(C)(C)C)cc(I)c1OC ZINC000446831923 563869228 /nfs/dbraw/zinc/86/92/28/563869228.db2.gz KBQWDFUQLHBJRV-ZDUSSCGKSA-N 1 0 393.265 2.805 20 0 GFADRO O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)c1cc(Br)sc1Br ZINC000368369294 563869566 /nfs/dbraw/zinc/86/95/66/563869566.db2.gz HUHLHBFBGJGSKP-WDSKDSINSA-N 1 0 386.084 2.703 20 0 GFADRO C[C@H](NC(=O)N1C[C@H](C[NH3+])C[C@H]1C)c1cc2c(cc1Br)OCCO2 ZINC000417168589 563869735 /nfs/dbraw/zinc/86/97/35/563869735.db2.gz AUHBPUHBWHYRHN-WOPDTQHZSA-N 1 0 398.301 2.660 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2S(=O)(=O)c1cc(Cl)sc1Cl ZINC000446937184 563870257 /nfs/dbraw/zinc/87/02/57/563870257.db2.gz QRPSAHKVHHKOAI-VWYCJHECSA-N 1 0 399.365 2.927 20 0 GFADRO O=C(NCCc1ccc(F)c(Br)c1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000417180070 563870822 /nfs/dbraw/zinc/87/08/22/563870822.db2.gz MZEVOTXDLLEWAY-QGZVFWFLSA-N 1 0 384.293 2.916 20 0 GFADRO O=C1CC[C@@H]([NH2+]Cc2cc(Br)c3c(c2)OCCCO3)[C@H](C2CC2)N1 ZINC000368500714 563872414 /nfs/dbraw/zinc/87/24/14/563872414.db2.gz YFUPRBPTVZTSBK-PBHICJAKSA-N 1 0 395.297 2.757 20 0 GFADRO CC1(C)CCC[NH2+][C@H]1CNC(=O)NCc1cn2cc(Br)ccc2n1 ZINC000417209371 563873233 /nfs/dbraw/zinc/87/32/33/563873233.db2.gz CCUAKNFHBVAGCP-AWEZNQCLSA-N 1 0 394.317 2.674 20 0 GFADRO COc1ccc(C[NH2+][C@@H]2CCCN(c3ccnn3C)C2)cc1Br ZINC000447078480 563874072 /nfs/dbraw/zinc/87/40/72/563874072.db2.gz UGCJEQWRIIJPDQ-CQSZACIVSA-N 1 0 379.302 2.950 20 0 GFADRO Cc1c(C(=O)N2CCSC[C@H]2c2cccs2)nnn1C1CC[NH2+]CC1 ZINC000368560797 563874306 /nfs/dbraw/zinc/87/43/06/563874306.db2.gz FUSNTOWEHOKAMD-AWEZNQCLSA-N 1 0 377.539 2.503 20 0 GFADRO Cc1ccc(O)c(C[NH2+][C@H]2CCN(c3cccc(Br)c3)C2=O)n1 ZINC000447084972 563874379 /nfs/dbraw/zinc/87/43/79/563874379.db2.gz GXSCOCAIOCSOSJ-AWEZNQCLSA-N 1 0 376.254 2.753 20 0 GFADRO Cc1cccc(C(=O)N2CC[C@@H]3CC[N@@H+](C)[C@H]3C2)c1I ZINC000368597394 563875349 /nfs/dbraw/zinc/87/53/49/563875349.db2.gz XHKVYSYSNLNNOX-JSGCOSHPSA-N 1 0 384.261 2.766 20 0 GFADRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)c3ccn(-c4cccc(Br)c4)n3)C[C@@H]21 ZINC000368615989 563875891 /nfs/dbraw/zinc/87/58/91/563875891.db2.gz VQXWOFNBEDWXSK-VBNZEHGJSA-N 1 0 389.297 2.834 20 0 GFADRO CCn1nccc1S(=O)(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1cccc(Cl)c1 ZINC000368697939 563877119 /nfs/dbraw/zinc/87/71/19/563877119.db2.gz FGXQCOPBSXSVQT-YOEHRIQHSA-N 1 0 382.917 2.528 20 0 GFADRO O=C(CCc1nc(-c2cc(Br)cs2)no1)N[C@H]1CCC[NH2+]CC1 ZINC000368702465 563877216 /nfs/dbraw/zinc/87/72/16/563877216.db2.gz AQWUUCJICLQXSP-NSHDSACASA-N 1 0 399.314 2.752 20 0 GFADRO O=C(NOCc1ccc(F)cc1Br)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000368701822 563877251 /nfs/dbraw/zinc/87/72/51/563877251.db2.gz MUZSNXSSRSOSFK-ZIAGYGMSSA-N 1 0 386.265 2.946 20 0 GFADRO COC[C@]1(CNC(=O)NCc2c(C)cc(Br)cc2C)CCC[NH2+]1 ZINC000417361276 563878595 /nfs/dbraw/zinc/87/85/95/563878595.db2.gz KNFLEGWABQIWLV-QGZVFWFLSA-N 1 0 384.318 2.634 20 0 GFADRO COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+][C@H]1CCN(CC(F)F)C1 ZINC000417376477 563878639 /nfs/dbraw/zinc/87/86/39/563878639.db2.gz BZUSNPZPMGJNDV-YPMHNXCESA-N 1 0 375.847 2.995 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000417361217 563878681 /nfs/dbraw/zinc/87/86/81/563878681.db2.gz BZTNMXJRIDPGAB-KBPBESRZSA-N 1 0 397.317 2.655 20 0 GFADRO CCC([NH3+])(CC)CNC(=O)NCCC(=O)Nc1cc(Br)ccc1C ZINC000417365516 563878708 /nfs/dbraw/zinc/87/87/08/563878708.db2.gz JBCQAZSSDXTUPK-UHFFFAOYSA-N 1 0 399.333 2.903 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)NC1CCC([NH3+])CC1 ZINC000417369217 563878745 /nfs/dbraw/zinc/87/87/45/563878745.db2.gz QESLCXIOPTTXIP-UHFFFAOYSA-N 1 0 397.317 2.655 20 0 GFADRO CSC[C@@H](O)C[NH+]1CCC(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000368792359 563878860 /nfs/dbraw/zinc/87/88/60/563878860.db2.gz VYVXCBMBMRPVKA-HNNXBMFYSA-N 1 0 387.343 2.824 20 0 GFADRO CC[C@@H]([NH2+][C@H]1CCN(CC(F)F)C1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000417394174 563879141 /nfs/dbraw/zinc/87/91/41/563879141.db2.gz VIQSUIBECHDHFE-GXTWGEPZSA-N 1 0 395.903 2.628 20 0 GFADRO C[C@H]1C[C@H](NC(=O)NCc2cc(Br)ccc2OC(F)F)CC[NH2+]1 ZINC000417405093 563879219 /nfs/dbraw/zinc/87/92/19/563879219.db2.gz ICHCGALPYJZVNM-JOYOIKCWSA-N 1 0 392.244 2.990 20 0 GFADRO C[NH2+]C[C@@H]1CCCN1C(=O)NCc1cc(Br)ccc1OC(F)F ZINC000417402828 563879222 /nfs/dbraw/zinc/87/92/22/563879222.db2.gz FNIRMPBTCMQDFH-LBPRGKRZSA-N 1 0 392.244 2.944 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCN(C(=O)NCc2cc(Br)ccc2OC(F)F)C1 ZINC000417407725 563879382 /nfs/dbraw/zinc/87/93/82/563879382.db2.gz NQQNQLOACCHURC-UWVGGRQHSA-N 1 0 392.244 2.929 20 0 GFADRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NCc1cc(Br)ccc1OC(F)F ZINC000417408270 563879579 /nfs/dbraw/zinc/87/95/79/563879579.db2.gz OGXNRHVNOGEMDE-BXKDBHETSA-N 1 0 392.244 2.848 20 0 GFADRO C[NH2+][C@@H]1CCN(C(=O)NCC2(c3ccc(Br)cc3)CCOCC2)C1 ZINC000417417290 563879826 /nfs/dbraw/zinc/87/98/26/563879826.db2.gz ALJATFKNNBVUIJ-MRXNPFEDSA-N 1 0 396.329 2.501 20 0 GFADRO [NH3+]C[C@H](NC(=O)NCC1(c2ccc(Br)cc2)CCOCC1)C1CC1 ZINC000417426008 563880159 /nfs/dbraw/zinc/88/01/59/563880159.db2.gz FOZGHQXYXDCGEZ-INIZCTEOSA-N 1 0 396.329 2.534 20 0 GFADRO O=C(CCSc1nc2ccccc2s1)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000368883494 563881005 /nfs/dbraw/zinc/88/10/05/563881005.db2.gz BLFBYIFTUJFUAA-UONOGXRCSA-N 1 0 377.535 2.758 20 0 GFADRO CC(C)c1n[nH]c(C(=O)N2CCC([N@@H+]3CCO[C@H](C)C3)CC2)c1Br ZINC000369055143 563885523 /nfs/dbraw/zinc/88/55/23/563885523.db2.gz NTWONOSMUZDUCH-GFCCVEGCSA-N 1 0 399.333 2.621 20 0 GFADRO CCCC[C@@H](C[NH3+])NC(=O)N[C@@H]1CCN(c2ccccc2Br)C1 ZINC000417604984 563886317 /nfs/dbraw/zinc/88/63/17/563886317.db2.gz WNEBTZVCMOCRGP-UONOGXRCSA-N 1 0 383.334 2.845 20 0 GFADRO CC1(CNC(=O)N[C@H]2CCN(c3ccccc3Br)C2)CC[NH2+]CC1 ZINC000417604994 563886374 /nfs/dbraw/zinc/88/63/74/563886374.db2.gz WPGXVQGWZVHUAV-AWEZNQCLSA-N 1 0 395.345 2.717 20 0 GFADRO CC[C@H](NC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(Cl)s1 ZINC000417647394 563886884 /nfs/dbraw/zinc/88/68/84/563886884.db2.gz LIZMSUKBFUTHRO-JQWIXIFHSA-N 1 0 398.882 2.988 20 0 GFADRO CC1(C)C[N@H+](C[C@@H](O)COc2ccc(Cl)cc2Br)C[C@@H]1O ZINC000447801104 563887043 /nfs/dbraw/zinc/88/70/43/563887043.db2.gz YYDPFLRQCHDBTL-RISCZKNCSA-N 1 0 378.694 2.545 20 0 GFADRO O=C(NCCCc1ccc(Br)cc1F)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000417683192 563887501 /nfs/dbraw/zinc/88/75/01/563887501.db2.gz UKHXEPJOCUTDPX-KRWDZBQOSA-N 1 0 384.293 2.916 20 0 GFADRO CC[C@@H](CNC(=O)NC[C@H]1C[NH2+]CCCO1)Cc1cccc(Br)c1 ZINC000417714785 563887604 /nfs/dbraw/zinc/88/76/04/563887604.db2.gz CPOQPJGWAKOBLR-RHSMWYFYSA-N 1 0 398.345 2.696 20 0 GFADRO O=S(=O)(c1ccc(C(F)(F)F)c(F)c1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000447872639 563889329 /nfs/dbraw/zinc/88/93/29/563889329.db2.gz BIXWZBJXCAAGGQ-LBPRGKRZSA-N 1 0 380.407 2.951 20 0 GFADRO C[C@H](CNC(=O)N1CCC[C@H]([C@H](C)[NH3+])C1)Oc1ccccc1Br ZINC000417837749 563890359 /nfs/dbraw/zinc/89/03/59/563890359.db2.gz XUAFHLSERKIVLE-RDBSUJKOSA-N 1 0 384.318 2.985 20 0 GFADRO [NH3+]CCN(Cc1ccccc1)C(=O)NCCOc1ncc(Cl)cc1Cl ZINC000417896447 563891106 /nfs/dbraw/zinc/89/11/06/563891106.db2.gz WGNHRSRVUZCWRY-UHFFFAOYSA-N 1 0 383.279 2.938 20 0 GFADRO C[N@@H+]1CCCC(C)(C)[C@H]1CNS(=O)(=O)c1ccccc1OC(F)(F)F ZINC000447936187 563891140 /nfs/dbraw/zinc/89/11/40/563891140.db2.gz NDNIBXIZIWBQIA-CQSZACIVSA-N 1 0 380.432 2.984 20 0 GFADRO CC(C)(CNC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1ccccc1Br ZINC000417911469 563891591 /nfs/dbraw/zinc/89/15/91/563891591.db2.gz LWNUROVCZGCYCK-ZIAGYGMSSA-N 1 0 380.330 2.978 20 0 GFADRO [NH3+]CC[C@H](NC(=O)NCCc1cc(Cl)ccc1Br)C(F)F ZINC000417905689 563891643 /nfs/dbraw/zinc/89/16/43/563891643.db2.gz AIBRNVLPYXKPKT-NSHDSACASA-N 1 0 384.652 2.927 20 0 GFADRO C[C@@H](Cc1ccc(F)c(Br)c1)NC(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000417905290 563891804 /nfs/dbraw/zinc/89/18/04/563891804.db2.gz XRFXRRPSUBYCFR-ZANVPECISA-N 1 0 394.235 2.816 20 0 GFADRO [NH3+]CCCCNC(=O)NCCOc1ccc(Br)cc1C(F)(F)F ZINC000417953246 563892139 /nfs/dbraw/zinc/89/21/39/563892139.db2.gz NVQHJJPDWVTMDL-UHFFFAOYSA-N 1 0 398.223 2.885 20 0 GFADRO C[C@H](Cc1cc(Br)ccc1F)NC(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000417940654 563892172 /nfs/dbraw/zinc/89/21/72/563892172.db2.gz LPMFIUWOVAYHKS-WQGACYEGSA-N 1 0 384.293 2.913 20 0 GFADRO [NH3+]C[C@@H]1CCN(C(=O)NCc2ccc(Br)cc2C(F)(F)F)C1 ZINC000417948353 563892275 /nfs/dbraw/zinc/89/22/75/563892275.db2.gz HPUYWPCEBIFHBM-VIFPVBQESA-N 1 0 380.208 2.958 20 0 GFADRO C[C@H](Cc1cc(Br)ccc1F)NC(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000417938872 563892302 /nfs/dbraw/zinc/89/23/02/563892302.db2.gz JEKNRCQOCXWQCN-NOZJJQNGSA-N 1 0 394.235 2.816 20 0 GFADRO C[NH2+]C[C@@H]1CCCN1C(=O)N[C@@H](C)[C@@H](OC)c1ccc(Br)cc1 ZINC000417980174 563893670 /nfs/dbraw/zinc/89/36/70/563893670.db2.gz IFHFGZLVTKJXAS-VBNZEHGJSA-N 1 0 384.318 2.919 20 0 GFADRO CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)N1CC[NH2+][C@@H](C)[C@H]1C ZINC000417976149 563893706 /nfs/dbraw/zinc/89/37/06/563893706.db2.gz FNDRTMUFORVVFB-JFILPPLUSA-N 1 0 384.318 2.917 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)NCCSCc2ccc(Cl)cc2Cl)CCO1 ZINC000417991853 563894330 /nfs/dbraw/zinc/89/43/30/563894330.db2.gz VSHSOPQVQKBJHU-ZDUSSCGKSA-N 1 0 378.325 2.596 20 0 GFADRO CO[C@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000417998188 563894424 /nfs/dbraw/zinc/89/44/24/563894424.db2.gz USLYQGFOWNIEID-IOASZLSFSA-N 1 0 384.318 2.824 20 0 GFADRO COc1cc(Br)ccc1CCCNC(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000418003124 563894592 /nfs/dbraw/zinc/89/45/92/563894592.db2.gz MQAZRMFLAMWQBV-DOMZBBRYSA-N 1 0 384.318 2.817 20 0 GFADRO C[NH2+][C@@H]1CCCN(C(=O)N[C@H](C)[C@H](OC)c2ccc(Br)cc2)C1 ZINC000418000094 563894631 /nfs/dbraw/zinc/89/46/31/563894631.db2.gz WIQAPUGXFQOFJG-WQVCFCJDSA-N 1 0 384.318 2.919 20 0 GFADRO O=C(N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000418011880 563894932 /nfs/dbraw/zinc/89/49/32/563894932.db2.gz VKZSPDOILAZJBI-BFHYXJOUSA-N 1 0 383.323 2.823 20 0 GFADRO [NH3+][C@H]1CCC[C@H](CNC(=O)NCc2cc(Br)cc3c2OCC3)C1 ZINC000418010320 563894998 /nfs/dbraw/zinc/89/49/98/563894998.db2.gz JJPLZGZCLJJDGN-NHYWBVRUSA-N 1 0 382.302 2.701 20 0 GFADRO [NH3+]CC1CCN(C(=O)NCCc2c[nH]c3ccc(Br)cc23)CC1 ZINC000418013086 563895356 /nfs/dbraw/zinc/89/53/56/563895356.db2.gz YLTIKMPVDONLHO-UHFFFAOYSA-N 1 0 379.302 2.853 20 0 GFADRO O=C(NCc1cc2cc(Br)ccc2[nH]1)N[C@@H]1C[NH2+]CCC1(F)F ZINC000418023031 563895921 /nfs/dbraw/zinc/89/59/21/563895921.db2.gz BKBXYDXIZVGIHN-CYBMUJFWSA-N 1 0 387.228 2.727 20 0 GFADRO C[C@H](C[NH3+])CNC(=O)NCc1cc(Br)ccc1Br ZINC000418030640 563896119 /nfs/dbraw/zinc/89/61/19/563896119.db2.gz AEGFPMBRFLOWNA-MRVPVSSYSA-N 1 0 379.096 2.606 20 0 GFADRO O=C(NCc1cc(Br)ccc1Br)N[C@H]1CCC[NH2+]C1 ZINC000418046607 563896966 /nfs/dbraw/zinc/89/69/66/563896966.db2.gz PHIAUCWCHPHQSZ-NSHDSACASA-N 1 0 391.107 2.763 20 0 GFADRO [NH3+][C@H](CNC(=O)NCc1cc(Br)ccc1Br)C1CC1 ZINC000418047744 563896979 /nfs/dbraw/zinc/89/69/79/563896979.db2.gz QVFHBCQMGHDCHD-GFCCVEGCSA-N 1 0 391.107 2.748 20 0 GFADRO [NH3+][C@H]1CCN(C(=O)N[C@H](Cc2ccccn2)c2ccc(Br)cc2)C1 ZINC000418070752 563897253 /nfs/dbraw/zinc/89/72/53/563897253.db2.gz UFLRPVWSHUHXCI-DOTOQJQBSA-N 1 0 389.297 2.871 20 0 GFADRO O=C(N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000418080648 563897822 /nfs/dbraw/zinc/89/78/22/563897822.db2.gz MQDZFCIGVYFZHB-BJJXKVORSA-N 1 0 383.323 2.966 20 0 GFADRO C[C@H](CCCC[NH3+])NC(=O)NCc1cnn(-c2ccc(Br)cc2)c1 ZINC000418088714 563898074 /nfs/dbraw/zinc/89/80/74/563898074.db2.gz KWYMZZRUCBOSTJ-CYBMUJFWSA-N 1 0 394.317 2.952 20 0 GFADRO COc1cc(Br)c(C(=O)N2CC[NH+](CC(C)C)CC2)cc1OC ZINC000448600189 563898594 /nfs/dbraw/zinc/89/85/94/563898594.db2.gz DKQPPYDPAIIFKN-UHFFFAOYSA-N 1 0 385.302 2.880 20 0 GFADRO C[NH+](C)CC(C)(C)CNC(=O)c1ccc(I)cc1F ZINC000448599935 563898695 /nfs/dbraw/zinc/89/86/95/563898695.db2.gz AXKOMAJIQKOMQU-UHFFFAOYSA-N 1 0 378.229 2.748 20 0 GFADRO C[C@]1(C[NH3+])CCN(C(=O)NCc2cnn(-c3ccc(Br)cc3)c2)C1 ZINC000418091687 563898664 /nfs/dbraw/zinc/89/86/64/563898664.db2.gz QEXLWCJAJBYBAM-QGZVFWFLSA-N 1 0 392.301 2.515 20 0 GFADRO [NH3+][C@@H]1CCC[C@H](CNC(=O)N[C@H]2CCN(c3cccc(Br)c3)C2)C1 ZINC000418094351 563898683 /nfs/dbraw/zinc/89/86/83/563898683.db2.gz HWJDOOWQUQZSQX-IMJJTQAJSA-N 1 0 395.345 2.845 20 0 GFADRO CC[C@H]([NH3+])CNC(=O)N[C@@H](C)CCc1ccc(I)cc1 ZINC000418116987 563899408 /nfs/dbraw/zinc/89/94/08/563899408.db2.gz SBJXUBFUZUBYDC-FZMZJTMJSA-N 1 0 389.281 2.649 20 0 GFADRO [NH3+]C[C@H](NC(=O)N[C@@H]1COc2cc(F)c(Br)cc21)C1CCCC1 ZINC000418163843 563900297 /nfs/dbraw/zinc/90/02/97/563900297.db2.gz RHGZBLCYJNBBTA-UONOGXRCSA-N 1 0 386.265 2.838 20 0 GFADRO [NH3+][C@@H]1CCC[C@H](CNC(=O)N[C@H]2COc3cc(F)c(Br)cc32)C1 ZINC000418151667 563900461 /nfs/dbraw/zinc/90/04/61/563900461.db2.gz HBBHMOCCVZGMCP-RBZYPMLTSA-N 1 0 386.265 2.838 20 0 GFADRO C[C@@H](NC(=O)N[C@H]1C[NH2+]CCC1(F)F)c1ccc(Br)cc1F ZINC000418182753 563900766 /nfs/dbraw/zinc/90/07/66/563900766.db2.gz KGUNRXYIOKPFAH-PELKAZGASA-N 1 0 380.208 2.946 20 0 GFADRO COCC[C@@H](NC(=O)N1CCCO[C@H](C[NH3+])C1)c1ccc(Cl)c(Cl)c1 ZINC000418175721 563900803 /nfs/dbraw/zinc/90/08/03/563900803.db2.gz VSTHIGJBFFVRHH-CZUORRHYSA-N 1 0 390.311 2.830 20 0 GFADRO CN(C(=O)c1ccc(I)cc1F)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000448960358 563903807 /nfs/dbraw/zinc/90/38/07/563903807.db2.gz JWVKQFAOZLAWIK-GFCCVEGCSA-N 1 0 388.224 2.739 20 0 GFADRO CN(C(=O)c1ccc(I)cc1F)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000448960359 563903908 /nfs/dbraw/zinc/90/39/08/563903908.db2.gz JWVKQFAOZLAWIK-LBPRGKRZSA-N 1 0 388.224 2.739 20 0 GFADRO Cc1ccc(CC(=O)N(C)CC[N@H+](C)C2CCN(C)CC2)c(Br)c1 ZINC000448978631 563904388 /nfs/dbraw/zinc/90/43/88/563904388.db2.gz YHOJLRIUMKBUAC-UHFFFAOYSA-N 1 0 396.373 2.784 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[N@H+](C)[C@H]1CCSC1 ZINC000449011238 563905090 /nfs/dbraw/zinc/90/50/90/563905090.db2.gz PPTGAGAEKVDQFD-FZMZJTMJSA-N 1 0 387.343 2.900 20 0 GFADRO O=C(C[NH2+]Cc1ccnc2c(Br)cccc12)NCC(F)(F)F ZINC000449104831 563907095 /nfs/dbraw/zinc/90/70/95/563907095.db2.gz BOBOUAFODYBNPE-UHFFFAOYSA-N 1 0 376.176 2.765 20 0 GFADRO CCn1nnc(C)c1C[NH2+]CCC(=O)Nc1cc(Br)ccc1C ZINC000449141108 563907267 /nfs/dbraw/zinc/90/72/67/563907267.db2.gz PAEYNUAGNQIWOG-UHFFFAOYSA-N 1 0 380.290 2.796 20 0 GFADRO CC[C@@H]([NH2+][C@H]1CCc2c1ccc(F)c2Br)C(=O)N1CCOCC1 ZINC000449174765 563907658 /nfs/dbraw/zinc/90/76/58/563907658.db2.gz IMNQCEGSRIQZAG-CABCVRRESA-N 1 0 385.277 2.803 20 0 GFADRO O=S(=O)(Cc1ccon1)NCC[NH2+][C@@H]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000449179288 563907833 /nfs/dbraw/zinc/90/78/33/563907833.db2.gz VILJMRMFTLUWOA-GDBMZVCRSA-N 1 0 383.901 2.673 20 0 GFADRO CC(C)(C)NS(=O)(=O)CC[NH2+][C@H]1CCc2ccc(OC(F)(F)F)cc21 ZINC000537939013 564178783 /nfs/dbraw/zinc/17/87/83/564178783.db2.gz ZPTQPRLZFSUWLO-AWEZNQCLSA-N 1 0 380.432 2.880 20 0 GFADRO CCN(CCC[NH+](C)C)C(=O)[C@H]1CSCN1C(=O)c1ccc(Cl)cc1 ZINC000470848788 564179065 /nfs/dbraw/zinc/17/90/65/564179065.db2.gz OJDAFGJBUHEOLU-MRXNPFEDSA-N 1 0 383.945 2.655 20 0 GFADRO O=C(CCNc1ncc(C(F)(F)F)cc1Cl)N1CC[NH+]2CCC1CC2 ZINC000470855910 564179068 /nfs/dbraw/zinc/17/90/68/564179068.db2.gz UVXHOFQIEJVBGS-UHFFFAOYSA-N 1 0 376.810 2.862 20 0 GFADRO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@@H]1CC(=O)N([C@@H]2C[C@H]2C)C1 ZINC000537982140 564179087 /nfs/dbraw/zinc/17/90/87/564179087.db2.gz MPTSBCNXFQFDOE-CZPYZCIJSA-N 1 0 394.313 2.765 20 0 GFADRO CSCC1CCC([NH2+]CCNS(=O)(=O)c2ccc(F)cc2F)CC1 ZINC000449305664 564179585 /nfs/dbraw/zinc/17/95/85/564179585.db2.gz TYBWRFYIWRBYDL-UHFFFAOYSA-N 1 0 378.510 2.755 20 0 GFADRO CS(=O)(=O)C1(C[NH2+]Cc2ccc(I)cc2)CCCC1 ZINC000449317708 564180633 /nfs/dbraw/zinc/18/06/33/564180633.db2.gz BKQUTSVFDKABPC-UHFFFAOYSA-N 1 0 393.290 2.738 20 0 GFADRO O=C(NCCNc1cc[nH+]cc1)N[C@@H](c1cncc(Br)c1)C1CC1 ZINC000505379959 564181774 /nfs/dbraw/zinc/18/17/74/564181774.db2.gz OTBXLVHQVOGXMA-MRXNPFEDSA-N 1 0 390.285 2.523 20 0 GFADRO O=C(CSc1cccs1)Nc1ccc(C(=O)NCC[NH+]2CCC2)cc1 ZINC000505420360 564182863 /nfs/dbraw/zinc/18/28/63/564182863.db2.gz LXNIOTXTEIQPNU-UHFFFAOYSA-N 1 0 375.519 2.914 20 0 GFADRO C[NH+]1CCC(CNC(=O)c2cc(F)ccc2I)CC1 ZINC000505413372 564182874 /nfs/dbraw/zinc/18/28/74/564182874.db2.gz AIFHNUOUPFDESX-UHFFFAOYSA-N 1 0 376.213 2.502 20 0 GFADRO O=c1ccc(Br)cn1CC[NH2+]C1CCN(Cc2ccccc2)CC1 ZINC000449378247 564183050 /nfs/dbraw/zinc/18/30/50/564183050.db2.gz QIBQEHPINBAHPQ-UHFFFAOYSA-N 1 0 390.325 2.865 20 0 GFADRO COc1ccc(C[C@H](C)[NH2+]CCn2cc(Br)ccc2=O)cc1OC ZINC000449379333 564183137 /nfs/dbraw/zinc/18/31/37/564183137.db2.gz SUWULIRYQORUQX-ZDUSSCGKSA-N 1 0 395.297 2.849 20 0 GFADRO Cc1ccc(O[C@H](C)C(=O)NCCN2CCOC(C)(C)C2)c(Br)c1 ZINC000505491811 564183686 /nfs/dbraw/zinc/18/36/86/564183686.db2.gz SJAIZGOAUHOSSK-CQSZACIVSA-N 1 0 399.329 2.752 20 0 GFADRO C[C@]1(O)CCC[N@H+](C[C@@H](O)COc2cc(F)cc(Br)c2)CC1 ZINC000471079593 564184600 /nfs/dbraw/zinc/18/46/00/564184600.db2.gz CHUKIGLEUFFFAA-ZBFHGGJFSA-N 1 0 376.266 2.565 20 0 GFADRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)c3csc(I)c3)C2)C1 ZINC000505635868 564186398 /nfs/dbraw/zinc/18/63/98/564186398.db2.gz SLJPYZBKPJRTBI-CQSZACIVSA-N 1 0 390.290 2.911 20 0 GFADRO O[C@@H]1C[C@H]([C@H]2CCCOC2)[N@H+](Cc2ccc(I)cc2)C1 ZINC000449434637 564187100 /nfs/dbraw/zinc/18/71/00/564187100.db2.gz RXMHHRACPXWWOC-NUEKZKHPSA-N 1 0 387.261 2.653 20 0 GFADRO C[NH+](C)CCN(C(=O)[C@@H]1CCN(c2cc(Cl)ccc2Cl)C1=O)C1CC1 ZINC000505672305 564187430 /nfs/dbraw/zinc/18/74/30/564187430.db2.gz ZHTHQLMJDPPNDY-AWEZNQCLSA-N 1 0 384.307 2.899 20 0 GFADRO CN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)CC[NH2+][C@H]2CCC2(C)C)c1 ZINC000563367460 564188624 /nfs/dbraw/zinc/18/86/24/564188624.db2.gz OUGQKXGENXNJCA-HNNXBMFYSA-N 1 0 387.933 2.697 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C(=O)NCC1=CC[N@H+](C)CC1 ZINC000538338458 564189286 /nfs/dbraw/zinc/18/92/86/564189286.db2.gz NITMRAHYROQJNH-UHFFFAOYSA-N 1 0 389.297 2.935 20 0 GFADRO O=C(Cc1cccc(I)c1)NCC[NH+]1CCCCCC1 ZINC000471228733 564189630 /nfs/dbraw/zinc/18/96/30/564189630.db2.gz QJPHYXZVVBAPLA-UHFFFAOYSA-N 1 0 386.277 2.826 20 0 GFADRO Cc1nn2c(C[NH2+][C@@H]3CC(=O)N(c4ccccc4Cl)C3)c(C)nc2s1 ZINC000538399975 564189729 /nfs/dbraw/zinc/18/97/29/564189729.db2.gz CLRWVEXMXCZBPM-GFCCVEGCSA-N 1 0 375.885 2.956 20 0 GFADRO CC[C@H]([NH2+]CCN1CCN(C(C)=O)CC1)c1cc(F)cc(Br)c1 ZINC000538398486 564190158 /nfs/dbraw/zinc/19/01/58/564190158.db2.gz OIARRMFLEGEFCS-KRWDZBQOSA-N 1 0 386.309 2.793 20 0 GFADRO COc1ccc(C[C@@H](CO)C[NH2+]Cc2c(C)n[nH]c2C)cc1Br ZINC000449598028 564191162 /nfs/dbraw/zinc/19/11/62/564191162.db2.gz GYAIQPMMCAGSGZ-CQSZACIVSA-N 1 0 382.302 2.738 20 0 GFADRO C=Cn1cc(C[NH2+]C[C@H](CO)Cc2ccc(OC)c(Br)c2)cn1 ZINC000449600009 564191304 /nfs/dbraw/zinc/19/13/04/564191304.db2.gz NBGMBYWFEINDJW-CQSZACIVSA-N 1 0 380.286 2.696 20 0 GFADRO COC(=O)C1CC[NH+](CCCNC(=O)Nc2ccc(Br)cc2)CC1 ZINC000505826573 564191904 /nfs/dbraw/zinc/19/19/04/564191904.db2.gz SXSPWPCRSCGPGP-UHFFFAOYSA-N 1 0 398.301 2.846 20 0 GFADRO O=C(Nc1ccc(OC(F)(F)F)c(Br)c1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000563491947 564193030 /nfs/dbraw/zinc/19/30/30/564193030.db2.gz OLHVVAKERYQKNN-VROVMSAKSA-N 1 0 380.164 2.687 20 0 GFADRO O=C(Cc1cccc(I)c1)N1CC[NH+](C2CCCC2)CC1 ZINC000471407631 564194776 /nfs/dbraw/zinc/19/47/76/564194776.db2.gz SPKQMZXZDTZPPX-UHFFFAOYSA-N 1 0 398.288 2.921 20 0 GFADRO Cn1ncc(Cl)c1C[NH2+]C[C@H](CO)Cc1ccc(F)c(Br)c1 ZINC000449679749 564196050 /nfs/dbraw/zinc/19/60/50/564196050.db2.gz FIOVBOWOTXOLCL-LLVKDONJSA-N 1 0 390.684 2.916 20 0 GFADRO Cc1c(Br)cccc1C[C@H](CO)C[NH2+]Cc1ccc(C(N)=O)cc1 ZINC000449678658 564196124 /nfs/dbraw/zinc/19/61/24/564196124.db2.gz BNPUCSXGRAARMX-HNNXBMFYSA-N 1 0 391.309 2.797 20 0 GFADRO CC(C)n1cc(Br)cc1C(=O)N1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000563535040 564196738 /nfs/dbraw/zinc/19/67/38/564196738.db2.gz OMBOZLPLPYKPSF-ZDUSSCGKSA-N 1 0 384.318 2.659 20 0 GFADRO Cc1ccc(CN2CC[NH+]([C@@H]3CCNC(=O)CC3)CC2)cc1Br ZINC000449695828 564196905 /nfs/dbraw/zinc/19/69/05/564196905.db2.gz JAPJJPWDSLLSTJ-INIZCTEOSA-N 1 0 380.330 2.544 20 0 GFADRO C[C@@H]1C[C@@H]([NH2+]C[C@@H](CO)Cc2ccc(F)c(Br)c2)CN1C1CC1 ZINC000449686172 564197085 /nfs/dbraw/zinc/19/70/85/564197085.db2.gz VKXNNYOHRZWTST-VHDGCEQUSA-N 1 0 385.321 2.954 20 0 GFADRO C[C@H](NC(=O)NC[C@H]1CCC[NH2+]1)c1nc(-c2ccc(Br)cc2)no1 ZINC000563585789 564198227 /nfs/dbraw/zinc/19/82/27/564198227.db2.gz LYQKKJLEXISBKK-GXFFZTMASA-N 1 0 394.273 2.611 20 0 GFADRO [NH3+]C[C@@H]1CC[C@H](NC(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CCCC2)C1 ZINC000449723669 564198754 /nfs/dbraw/zinc/19/87/54/564198754.db2.gz XLBBOKDVWSPTHG-HIFRSBDPSA-N 1 0 384.929 2.670 20 0 GFADRO CCO[C@@H]1COC[C@H]1[NH2+]Cc1cn(-c2ccc(Br)cc2)nc1C ZINC000449719940 564198756 /nfs/dbraw/zinc/19/87/56/564198756.db2.gz RLZLBMOLYPREFA-IAGOWNOFSA-N 1 0 380.286 2.837 20 0 GFADRO [NH3+]CC[C@@H](NC(=O)[C@@H]1CCN(c2cc(Cl)ccc2Cl)C1=O)C(F)(F)F ZINC000449721755 564198835 /nfs/dbraw/zinc/19/88/35/564198835.db2.gz OZJBEMAJBWTZKA-JOYOIKCWSA-N 1 0 398.212 2.742 20 0 GFADRO Cc1ccc(C(=O)N[C@@H](CC[NH3+])C(F)(F)F)cc1I ZINC000449726143 564199297 /nfs/dbraw/zinc/19/92/97/564199297.db2.gz WURSXODAEUYKFP-JTQLQIEISA-N 1 0 386.155 2.609 20 0 GFADRO CC[C@H](Cc1ccccc1Br)NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC000563637549 564199934 /nfs/dbraw/zinc/19/99/34/564199934.db2.gz QDKOAROIJJSFJH-OAHLLOKOSA-N 1 0 393.329 2.958 20 0 GFADRO C[NH+](C)CCOCCNC(=O)N1CCC[C@H]1c1cccc(Br)c1 ZINC000471637928 564200337 /nfs/dbraw/zinc/20/03/37/564200337.db2.gz PQRULPMXBXDDIX-INIZCTEOSA-N 1 0 384.318 2.874 20 0 GFADRO C[NH+](C)[C@]1(CNC(=O)N2CC[C@@H](Oc3ccccc3Cl)C2)CCSC1 ZINC000506327760 564200734 /nfs/dbraw/zinc/20/07/34/564200734.db2.gz LRPDRPXMVXJTER-KDOFPFPSSA-N 1 0 383.945 2.940 20 0 GFADRO Cc1ccc(C[N@@H+]2CCC[C@](O)(C(=O)N3CCCC3)C2)c(Br)c1 ZINC000449765420 564201017 /nfs/dbraw/zinc/20/10/17/564201017.db2.gz IEAGQYJWZIVNJM-GOSISDBHSA-N 1 0 381.314 2.707 20 0 GFADRO CC(=O)c1cc(Br)ccc1OCC(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000563697939 564202832 /nfs/dbraw/zinc/20/28/32/564202832.db2.gz OJDQGLYVUNUMSW-UHFFFAOYSA-N 1 0 397.313 2.973 20 0 GFADRO CC[NH+](CC)CC(=O)N1CCN(Cc2c(F)cccc2Br)CC1 ZINC000538966392 564206244 /nfs/dbraw/zinc/20/62/44/564206244.db2.gz GRJUDDJNFYWKGR-UHFFFAOYSA-N 1 0 386.309 2.574 20 0 GFADRO CS(=O)(=O)N1CCC[C@@H]1C[NH2+][C@@H]1CCCc2ccc(Br)cc21 ZINC000539040435 564208267 /nfs/dbraw/zinc/20/82/67/564208267.db2.gz BCUSHJCVQFGDMC-GDBMZVCRSA-N 1 0 387.343 2.840 20 0 GFADRO CSCC[C@H](CO)[NH2+][C@@H](C)CC(=O)Nc1ccc(Br)cc1 ZINC000539065414 564208527 /nfs/dbraw/zinc/20/85/27/564208527.db2.gz ISGLNMPNIRYLRD-SMDDNHRTSA-N 1 0 375.332 2.870 20 0 GFADRO CNC(=O)CCC[NH2+][C@@H]1CCCOc2ccc(I)cc21 ZINC000539070912 564208859 /nfs/dbraw/zinc/20/88/59/564208859.db2.gz DPBITEBBSPHVKV-CYBMUJFWSA-N 1 0 388.249 2.621 20 0 GFADRO Cc1cccc(Br)c1C(=O)NCC1CC[NH+](CCN(C)C)CC1 ZINC000563848215 564209661 /nfs/dbraw/zinc/20/96/61/564209661.db2.gz XOANYCQZZARSEH-UHFFFAOYSA-N 1 0 382.346 2.761 20 0 GFADRO COc1cc(Br)ccc1[C@H](C)NC(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000563875460 564210620 /nfs/dbraw/zinc/21/06/20/564210620.db2.gz RIWJLYJZWLULFE-YVEFUNNKSA-N 1 0 382.302 2.914 20 0 GFADRO C[NH+](C)CC1CCN(C(=O)Cc2cccc(I)c2)CC1 ZINC000472076195 564211834 /nfs/dbraw/zinc/21/18/34/564211834.db2.gz BXJNEPFADXRCRJ-UHFFFAOYSA-N 1 0 386.277 2.634 20 0 GFADRO COc1ccc(OC(F)(F)F)c(C(=O)NC[C@@]2([NH+](C)C)CCSC2)c1 ZINC000450043907 564214547 /nfs/dbraw/zinc/21/45/47/564214547.db2.gz ONDCNNHWHFVYRX-HNNXBMFYSA-N 1 0 378.416 2.761 20 0 GFADRO O=S(=O)(CCO)c1ccc(C[NH2+]Cc2cscc2C(F)(F)F)cc1 ZINC000564008130 564216866 /nfs/dbraw/zinc/21/68/66/564216866.db2.gz VCJWBFXWTDNTAC-UHFFFAOYSA-N 1 0 379.425 2.823 20 0 GFADRO CC(C)[C@@H]([NH2+]CCOc1c(Cl)cccc1Cl)C(=O)N1CCOCC1 ZINC000539358107 564217800 /nfs/dbraw/zinc/21/78/00/564217800.db2.gz ORNJIXNEXUGHIF-OAHLLOKOSA-N 1 0 375.296 2.845 20 0 GFADRO Cc1ncc2c(n1)CC[C@@H]([NH2+]Cc1cc3c(cc1Br)OCO3)C2 ZINC000539447148 564220194 /nfs/dbraw/zinc/22/01/94/564220194.db2.gz WJNLMLXCSAPHLG-CYBMUJFWSA-N 1 0 376.254 2.923 20 0 GFADRO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1cc(Cl)c(Br)cc1F ZINC000450235070 564222992 /nfs/dbraw/zinc/22/29/92/564222992.db2.gz WIQTUYQGXMXWDJ-JTQLQIEISA-N 1 0 393.684 2.818 20 0 GFADRO C[C@@H]([NH2+]C[C@@H]1CCCCN1S(=O)(=O)N(C)C)c1ccc(Cl)c(F)c1 ZINC000564153499 564223017 /nfs/dbraw/zinc/22/30/17/564223017.db2.gz UZKPAHNGFYAMRK-OCCSQVGLSA-N 1 0 377.913 2.791 20 0 GFADRO Cc1cc(C)c(C(=O)N2CCC([N@H+](C)CCCO)CC2)cc1Br ZINC000450261605 564223627 /nfs/dbraw/zinc/22/36/27/564223627.db2.gz JCOMUMAGXKNTNS-UHFFFAOYSA-N 1 0 383.330 2.985 20 0 GFADRO C[NH+](C)CCNC(=O)NCCOc1c(Cl)cc(Br)cc1Cl ZINC000539613123 564224217 /nfs/dbraw/zinc/22/42/17/564224217.db2.gz LZEGZTFDUCOZRR-UHFFFAOYSA-N 1 0 399.116 2.996 20 0 GFADRO CCN1CCN(C(=O)C(=O)Nc2cccc(Br)c2Cl)[C@H](C)C1 ZINC000507407400 564227842 /nfs/dbraw/zinc/22/78/42/564227842.db2.gz RNSOHPHKHGSAAN-SNVBAGLBSA-N 1 0 388.693 2.594 20 0 GFADRO C[C@@H]1CN(C(=O)c2ccsc2Br)CCN1C1CC[NH+](C)CC1 ZINC000450360399 564228516 /nfs/dbraw/zinc/22/85/16/564228516.db2.gz BAVZBMYZFMYINT-GFCCVEGCSA-N 1 0 386.359 2.751 20 0 GFADRO COCC1(C[NH2+]C[C@@H](O)COc2c(Cl)cccc2Cl)CCOCC1 ZINC000564321757 564229022 /nfs/dbraw/zinc/22/90/22/564229022.db2.gz MLUZUKQNKOBFTG-CYBMUJFWSA-N 1 0 378.296 2.766 20 0 GFADRO Cc1c(S(=O)(=O)N(C)CC[N@H+](C)C2CC2)cnn1-c1ccc(Cl)cc1 ZINC000472684778 564230865 /nfs/dbraw/zinc/23/08/65/564230865.db2.gz JUJKZUOXTKGGBB-UHFFFAOYSA-N 1 0 382.917 2.549 20 0 GFADRO C[N@H+](CCO)C1CCN(C(=O)c2cc3c(ccc(F)c3Br)[nH]2)CC1 ZINC000450410004 564231517 /nfs/dbraw/zinc/23/15/17/564231517.db2.gz MHUMQPOIJQTUSE-UHFFFAOYSA-N 1 0 398.276 2.598 20 0 GFADRO CC[C@H](c1ccc(Br)cc1)[N@@H+]1CCC[C@H](CS(N)(=O)=O)C1 ZINC000472754451 564232862 /nfs/dbraw/zinc/23/28/62/564232862.db2.gz QJIMOXMYRBDNPZ-SWLSCSKDSA-N 1 0 375.332 2.901 20 0 GFADRO C[C@@H]1CN(c2ncnc3cc(Br)ccc32)CC[N@@H+]1CC(C)(C)O ZINC000450470302 564233966 /nfs/dbraw/zinc/23/39/66/564233966.db2.gz ITLMAHUSYVVOEZ-GFCCVEGCSA-N 1 0 379.302 2.674 20 0 GFADRO CC(C)[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1CCN(c2ccccc2Br)C1=O ZINC000564501729 564235782 /nfs/dbraw/zinc/23/57/82/564235782.db2.gz ACKKDVZHHWAWNF-KBPBESRZSA-N 1 0 396.329 2.647 20 0 GFADRO Cn1cc(Br)cc1C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000507644670 564237072 /nfs/dbraw/zinc/23/70/72/564237072.db2.gz FUBFPFIWRUQTPU-UHFFFAOYSA-N 1 0 398.345 2.752 20 0 GFADRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)C1CCN(C(=O)c2ccc(Cl)s2)CC1 ZINC000540024948 564237157 /nfs/dbraw/zinc/23/71/57/564237157.db2.gz YAUVPQWFXJFXTF-CHWSQXEVSA-N 1 0 383.945 2.805 20 0 GFADRO Cc1ccc(Br)c(NC(=O)C(=O)N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)c1 ZINC000507656048 564237782 /nfs/dbraw/zinc/23/77/82/564237782.db2.gz QGQHUGAOVLBBKU-UONOGXRCSA-N 1 0 394.313 2.781 20 0 GFADRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)C(=O)Nc1ccc(F)c(Br)c1 ZINC000507675459 564238998 /nfs/dbraw/zinc/23/89/98/564238998.db2.gz KUWSSDXVEKLCDW-DGCLKSJQSA-N 1 0 398.276 2.612 20 0 GFADRO CS(=O)(=O)N1CCC[C@@H]([NH2+][C@H]2CCc3c2c(Br)ccc3F)C1 ZINC000540173134 564240610 /nfs/dbraw/zinc/24/06/10/564240610.db2.gz DHSXHVVWPYHMTI-YGRLFVJLSA-N 1 0 391.306 2.589 20 0 GFADRO COCC[NH+]1CCC(N[C@H](C)c2cc3c(cc2Br)OCCO3)CC1 ZINC000540191697 564242087 /nfs/dbraw/zinc/24/20/87/564242087.db2.gz QUVIVJJOXJPAJX-CYBMUJFWSA-N 1 0 399.329 2.982 20 0 GFADRO C[NH+](C)CC[C@@](C)(O)CNC(=O)CCCOc1ccc(Cl)cc1Cl ZINC000473261406 564242848 /nfs/dbraw/zinc/24/28/48/564242848.db2.gz JKVWQVAJNHYLCL-QGZVFWFLSA-N 1 0 377.312 2.971 20 0 GFADRO C[NH+](C)CC[C@@](C)(O)CNC(=O)c1cc2c(cc(Br)cc2F)[nH]1 ZINC000473267317 564243122 /nfs/dbraw/zinc/24/31/22/564243122.db2.gz BBCZPAQQCJJEHO-MRXNPFEDSA-N 1 0 386.265 2.502 20 0 GFADRO COc1sc(CN2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)cc1Br ZINC000564656499 564243690 /nfs/dbraw/zinc/24/36/90/564243690.db2.gz JNBNPVGLZLMMFS-KGLIPLIRSA-N 1 0 375.332 2.847 20 0 GFADRO CCC[C@@H]([NH2+]C(C)C)C(=O)NCC(=O)Nc1ccc(Br)c(C)c1 ZINC000473341035 564244750 /nfs/dbraw/zinc/24/47/50/564244750.db2.gz BGYOUZZWYYDMHY-OAHLLOKOSA-N 1 0 384.318 2.979 20 0 GFADRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)NCc2cccc(Cl)c2Cl)C1 ZINC000564673846 564244821 /nfs/dbraw/zinc/24/48/21/564244821.db2.gz YCACJCWEFRYWCC-DZGCQCFKSA-N 1 0 384.307 2.552 20 0 GFADRO COc1ccc(CC[NH2+][C@H](C)Cc2ccc(Cl)cc2)cc1S(N)(=O)=O ZINC000540315420 564245060 /nfs/dbraw/zinc/24/50/60/564245060.db2.gz FXQOKBFKPSPRKO-CYBMUJFWSA-N 1 0 382.913 2.759 20 0 GFADRO CC[N@H+](C)CCNC(=O)N[C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O ZINC000473429465 564247175 /nfs/dbraw/zinc/24/71/75/564247175.db2.gz VFLNHSXGCDBLAF-CQSZACIVSA-N 1 0 387.311 2.740 20 0 GFADRO C[C@@H]([NH2+]CCNS(=O)(=O)c1cccc(Cl)c1Cl)[C@@H]1CCCOC1 ZINC000564746439 564247235 /nfs/dbraw/zinc/24/72/35/564247235.db2.gz IBGLKXCQDPBSRT-VXGBXAGGSA-N 1 0 381.325 2.676 20 0 GFADRO C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000564729779 564247394 /nfs/dbraw/zinc/24/73/94/564247394.db2.gz TUKKODSBZPRBDX-DNVCBOLYSA-N 1 0 394.357 2.872 20 0 GFADRO C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000564729786 564247412 /nfs/dbraw/zinc/24/74/12/564247412.db2.gz TUKKODSBZPRBDX-KXBFYZLASA-N 1 0 394.357 2.872 20 0 GFADRO C[C@@H]1Cc2cc(S(=O)(=O)N3CCCC34CC[NH+](C)CC4)cc(Cl)c2O1 ZINC000507933547 564247750 /nfs/dbraw/zinc/24/77/50/564247750.db2.gz CVKOSXDVEDHTQQ-CYBMUJFWSA-N 1 0 384.929 2.912 20 0 GFADRO CCCC[N@H+](C)C[C@@H](C)NS(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1F ZINC000564758577 564247858 /nfs/dbraw/zinc/24/78/58/564247858.db2.gz HDMHAJCIBGWXLY-LLVKDONJSA-N 1 0 393.912 2.836 20 0 GFADRO C[C@@H]1CN(c2ccc(Br)c(C(F)(F)F)n2)C[C@H](C)[N@H+]1CCO ZINC000450800292 564248761 /nfs/dbraw/zinc/24/87/61/564248761.db2.gz YPOUKQVAKZMJNV-AOOOYVTPSA-N 1 0 382.224 2.754 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@@H](C)NC(=O)c1ccc(Br)cc1 ZINC000473512516 564249102 /nfs/dbraw/zinc/24/91/02/564249102.db2.gz ZLCRLPPSFWTJAJ-CZUORRHYSA-N 1 0 396.329 2.510 20 0 GFADRO Cn1cc([C@@H]2CN(C(=O)[C@H]3C[C@@H]3c3cc(Cl)cc(Cl)c3)C[C@H]2[NH3+])cn1 ZINC000564793190 564249256 /nfs/dbraw/zinc/24/92/56/564249256.db2.gz PKSMSZWGQJGVPT-LTIDMASMSA-N 1 0 379.291 2.784 20 0 GFADRO Cc1sc(C(=O)Nc2ccc(N3CC[NH2+]CC3)cn2)cc1Br ZINC000564837199 564251665 /nfs/dbraw/zinc/25/16/65/564251665.db2.gz CHEMDECFELLFOR-UHFFFAOYSA-N 1 0 381.299 2.876 20 0 GFADRO CO[C@@H](c1ccc(Br)cc1)[C@H](C)[NH2+]CCC(=O)Nc1cc(C)on1 ZINC000564848311 564252435 /nfs/dbraw/zinc/25/24/35/564252435.db2.gz BUXDZGANYIOPPK-YVEFUNNKSA-N 1 0 396.285 3.440 20 0 GFADRO C[C@@]1(c2ccc(C[NH2+]Cc3cc(Br)cs3)cc2)NC(=O)NC1=O ZINC000540595751 564252521 /nfs/dbraw/zinc/25/25/21/564252521.db2.gz WVMGNBQVFPBKFG-INIZCTEOSA-N 1 0 394.294 2.855 20 0 GFADRO Cc1cn2c(n1)[C@@H](C[NH2+]C[C@H](O)COc1ccc(Br)cc1)CCC2 ZINC000564852587 564252466 /nfs/dbraw/zinc/25/24/66/564252466.db2.gz NGGSCQDPHNSLFL-ZBFHGGJFSA-N 1 0 394.313 2.861 20 0 GFADRO COC(=O)c1cccc(C[N@H+](CCNC(C)=O)C2CCSCC2)c1Cl ZINC000450931841 564256181 /nfs/dbraw/zinc/25/61/81/564256181.db2.gz NCCSKHVNOCPRQX-UHFFFAOYSA-N 1 0 384.929 2.960 20 0 GFADRO CCN(CCC[NH+](CC)CC)C(=O)CNC(=O)c1ccc(Br)cc1 ZINC000508198467 564257360 /nfs/dbraw/zinc/25/73/60/564257360.db2.gz UVRKCKXQQFOBMC-UHFFFAOYSA-N 1 0 398.345 2.759 20 0 GFADRO C[NH+](C)C[C@H]1CCCN1C(=O)CNC(=O)c1sc2ccccc2c1Cl ZINC000473929805 564257757 /nfs/dbraw/zinc/25/77/57/564257757.db2.gz FYTPOCVINMIGMA-GFCCVEGCSA-N 1 0 379.913 2.837 20 0 GFADRO Cc1cc2cc(C(=O)N3CCN([C@H]4CC[NH2+]C4)CC3)oc2c(Br)c1 ZINC000564933038 564257985 /nfs/dbraw/zinc/25/79/85/564257985.db2.gz SEUCLWOIBMLMDJ-AWEZNQCLSA-N 1 0 392.297 2.623 20 0 GFADRO C[C@H](C[NH+]1CCCCC1)NS(=O)(=O)c1ccc(F)c(Br)c1 ZINC000473939129 564258958 /nfs/dbraw/zinc/25/89/58/564258958.db2.gz HIJPMIGREHUOGN-LLVKDONJSA-N 1 0 379.295 2.741 20 0 GFADRO Cc1cc(COc2ccc(C(=O)N[C@H](C)[C@@H](C)[NH3+])cc2Br)on1 ZINC000564957467 564259189 /nfs/dbraw/zinc/25/91/89/564259189.db2.gz KGSWAYGQELVGTA-GHMZBOCLSA-N 1 0 382.258 2.790 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]1C1CCN(C(=O)CSc2cccc(Br)c2)CC1 ZINC000564955682 564259268 /nfs/dbraw/zinc/25/92/68/564259268.db2.gz VVQCVRFJTBOIKF-WBVHZDCISA-N 1 0 399.354 2.896 20 0 GFADRO Cc1cc(S(=O)(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)c(C)cc1Br ZINC000564967011 564260034 /nfs/dbraw/zinc/26/00/34/564260034.db2.gz QLFGPGJPUDVKEE-CHWSQXEVSA-N 1 0 375.332 2.862 20 0 GFADRO C[C@H]1C[C@H](C[NH3+])CN1S(=O)(=O)Cc1cc(Cl)ccc1Br ZINC000564968211 564260226 /nfs/dbraw/zinc/26/02/26/564260226.db2.gz ULPPTWKEBRREHO-VHSXEESVSA-N 1 0 381.723 2.601 20 0 GFADRO C[NH+](C)C1(CNC(=O)c2ccccc2-n2cc(Br)cn2)CCC1 ZINC000450996178 564261387 /nfs/dbraw/zinc/26/13/87/564261387.db2.gz CWRVOZUFYSJXLO-UHFFFAOYSA-N 1 0 377.286 2.849 20 0 GFADRO Cc1ncc(CNc2ccc(CN3CC[NH+](C)CC3)c(Br)c2)cn1 ZINC000474017339 564261585 /nfs/dbraw/zinc/26/15/85/564261585.db2.gz RCLTZUFKLBKHKM-UHFFFAOYSA-N 1 0 390.329 2.907 20 0 GFADRO O=C(NCC[N@@H+]1CCCOCC1)c1cc2c(ccc(F)c2Br)[nH]1 ZINC000451008796 564262381 /nfs/dbraw/zinc/26/23/81/564262381.db2.gz YCOMKYUZBGZCII-UHFFFAOYSA-N 1 0 384.249 2.522 20 0 GFADRO COC(=O)C[C@H](NC(=O)C[NH+]1CCC(C)CC1)c1ccc(Br)cc1 ZINC000474047446 564262635 /nfs/dbraw/zinc/26/26/35/564262635.db2.gz WPYHAQUEHVHEAI-INIZCTEOSA-N 1 0 397.313 2.901 20 0 GFADRO CN1CC[C@H]([NH+]2CCC(NC(=O)c3c(Cl)cc(F)cc3Cl)CC2)C1=O ZINC000565023741 564263107 /nfs/dbraw/zinc/26/31/07/564263107.db2.gz FXXYJFQWXHHLKT-AWEZNQCLSA-N 1 0 388.270 2.557 20 0 GFADRO Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000508427031 564263453 /nfs/dbraw/zinc/26/34/53/564263453.db2.gz NCPGQBLQOALRDI-CYBMUJFWSA-N 1 0 393.333 2.885 20 0 GFADRO CCC[NH+]1CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2C)CC1 ZINC000508527271 564265106 /nfs/dbraw/zinc/26/51/06/564265106.db2.gz QMCWNJYNRHNXDC-UHFFFAOYSA-N 1 0 394.317 2.785 20 0 GFADRO CC[NH+](CC)CCO[C@@H]1CCN(S(=O)(=O)c2ccc(F)cc2Cl)C1 ZINC000474161997 564267679 /nfs/dbraw/zinc/26/76/79/564267679.db2.gz ZZJKZQFHYSDBOQ-CQSZACIVSA-N 1 0 378.897 2.601 20 0 GFADRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)CNC(=O)c1ccc(Br)cc1 ZINC000474161648 564267782 /nfs/dbraw/zinc/26/77/82/564267782.db2.gz YFFVZQNNMTVZDH-OKILXGFUSA-N 1 0 396.329 2.558 20 0 GFADRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)COc1cc(Cl)cc(Cl)c1 ZINC000474209335 564269233 /nfs/dbraw/zinc/26/92/33/564269233.db2.gz ISAVQCZQXHEONR-GFCCVEGCSA-N 1 0 375.296 2.676 20 0 GFADRO COCCOC[C@@H](O)C[N@@H+]1CCCC[C@@H]1Cc1ccccc1Br ZINC000451085460 564272292 /nfs/dbraw/zinc/27/22/92/564272292.db2.gz ZIMDEFWFEFZHDA-SJORKVTESA-N 1 0 386.330 2.870 20 0 GFADRO COc1cc(Br)c(CNC(=O)NCC[N@H+]2CC=CCC2)cc1OC ZINC000474315021 564274487 /nfs/dbraw/zinc/27/44/87/564274487.db2.gz UYUWABVTIGAOIZ-UHFFFAOYSA-N 1 0 398.301 2.527 20 0 GFADRO C[C@@H](NC(=O)NCCn1cc(Br)cn1)[C@@H](c1ccccc1)[NH+](C)C ZINC000508855763 564275013 /nfs/dbraw/zinc/27/50/13/564275013.db2.gz VBROJZVQVIEIEQ-CJNGLKHVSA-N 1 0 394.317 2.636 20 0 GFADRO C[C@@]1(CO)CCC[C@@H]1[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000474358577 564276330 /nfs/dbraw/zinc/27/63/30/564276330.db2.gz XGSZAVPLXRRTBW-ROUUACIJSA-N 1 0 383.330 2.926 20 0 GFADRO CC(C)[C@@H](CNC(=O)C(=O)N(C)CCC[NH3+])Cc1ccc(Cl)cc1Cl ZINC000565371239 564277690 /nfs/dbraw/zinc/27/76/90/564277690.db2.gz CQTLDLXLSBYTDW-CQSZACIVSA-N 1 0 388.339 2.732 20 0 GFADRO O=C(NCc1cccc(Cl)c1Cl)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000565378457 564277926 /nfs/dbraw/zinc/27/79/26/564277926.db2.gz QYCIBMMJFLSLMF-UHFFFAOYSA-N 1 0 384.307 2.600 20 0 GFADRO CCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(Br)cc1CC ZINC000508995546 564278857 /nfs/dbraw/zinc/27/88/57/564278857.db2.gz LHGYPRNNVIPERF-HNNXBMFYSA-N 1 0 396.329 2.941 20 0 GFADRO C[N@H+](CCOc1c(Br)cccc1Br)C(C)(C)C(N)=O ZINC000451134795 564278878 /nfs/dbraw/zinc/27/88/78/564278878.db2.gz JPZBXHYJGYPPAG-UHFFFAOYSA-N 1 0 394.107 2.786 20 0 GFADRO CC(C)C(=O)NCC[NH2+][C@@H](C)CCc1ccc(I)cc1 ZINC000474475562 564279971 /nfs/dbraw/zinc/27/99/71/564279971.db2.gz UPGUXVITRMHKQM-ZDUSSCGKSA-N 1 0 388.293 2.974 20 0 GFADRO CC(C)OCC[C@H](O)C[NH2+][C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000565535549 564285384 /nfs/dbraw/zinc/28/53/84/564285384.db2.gz NSYICXMWYAFBAL-XJKSGUPXSA-N 1 0 375.296 2.864 20 0 GFADRO O=C(C[C@@H]1CSCC[NH2+]1)NC1(c2cccc(Br)c2)CCOCC1 ZINC000565534651 564285557 /nfs/dbraw/zinc/28/55/57/564285557.db2.gz OTAGYOXLOAIVIN-OAHLLOKOSA-N 1 0 399.354 2.666 20 0 GFADRO C[C@H]([NH2+]CCS(=O)(=O)N1CCSCC1)[C@@H](C)c1ccc(Cl)cc1 ZINC000474717572 564286764 /nfs/dbraw/zinc/28/67/64/564286764.db2.gz YBMSHAWNXJINAF-KGLIPLIRSA-N 1 0 376.975 2.800 20 0 GFADRO COC[C@](C)(CC(=O)OC)[NH2+]Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000541763658 564288137 /nfs/dbraw/zinc/28/81/37/564288137.db2.gz SAPNGHODJBFMHV-KRWDZBQOSA-N 1 0 396.285 2.693 20 0 GFADRO CCOC(=O)c1coc(C[NH2+]C[C@@H](O)COc2ccccc2Br)c1 ZINC000474794533 564289125 /nfs/dbraw/zinc/28/91/25/564289125.db2.gz DZAVQPONYZMTRL-CYBMUJFWSA-N 1 0 398.253 2.748 20 0 GFADRO CC[C@@H]1[C@@H](CO)CC[N@@H+]1C[C@H](O)COc1ccc(Cl)cc1Br ZINC000451249234 564292441 /nfs/dbraw/zinc/29/24/41/564292441.db2.gz BNNSPWTUQBSJEF-OSAQELSMSA-N 1 0 392.721 2.935 20 0 GFADRO CC[C@H]1[C@@H](CO)CC[N@@H+]1CC(=O)N(C)Cc1cc(Br)cs1 ZINC000451260875 564293003 /nfs/dbraw/zinc/29/30/03/564293003.db2.gz VCWWUCCQHMHJHO-RISCZKNCSA-N 1 0 375.332 2.562 20 0 GFADRO CC(C)[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000509339147 564294071 /nfs/dbraw/zinc/29/40/71/564294071.db2.gz AQHJRDGOKNENTL-WOSRLPQWSA-N 1 0 383.945 2.899 20 0 GFADRO CCCc1ccc(Cl)c(S(=O)(=O)N2C[C@H](C[NH3+])C3(C2)CCOCC3)c1 ZINC000565774763 564294745 /nfs/dbraw/zinc/29/47/45/564294745.db2.gz OXFXNBLQXMOZQK-HNNXBMFYSA-N 1 0 386.945 2.669 20 0 GFADRO OC[C@@H]([NH2+]C[C@H](O)COc1cccc(Br)c1)c1cccc(F)c1 ZINC000541955719 564296648 /nfs/dbraw/zinc/29/66/48/564296648.db2.gz ZSOZFJODKLZJFR-DOTOQJQBSA-N 1 0 384.245 2.651 20 0 GFADRO Cc1csc(S(=O)(=O)N2CCC(CC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)c1 ZINC000451291359 564297052 /nfs/dbraw/zinc/29/70/52/564297052.db2.gz OAMGYXTWHDZOQL-HZPDHXFCSA-N 1 0 386.583 2.957 20 0 GFADRO O[C@H](COc1cc(Cl)ccc1Cl)C[N@@H+]1C[C@H](O)C[C@@H]1[C@H]1CCCOC1 ZINC000451294093 564297096 /nfs/dbraw/zinc/29/70/96/564297096.db2.gz BQBFLHSZXNIGDK-PWXKEOIMSA-N 1 0 390.307 2.595 20 0 GFADRO CCOC(=O)[C@@](C)(O)C[N@@H+]1CCCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000475138854 564301174 /nfs/dbraw/zinc/30/11/74/564301174.db2.gz MWHJCEFQPCLIIO-KRWDZBQOSA-N 1 0 375.296 2.820 20 0 GFADRO Cn1cc(-c2ccc(C[NH2+]CCS(=O)(=O)c3ccc(F)cc3)s2)cn1 ZINC000509474911 564301242 /nfs/dbraw/zinc/30/12/42/564301242.db2.gz DEOZUDGIQDDKIX-UHFFFAOYSA-N 1 0 379.482 2.851 20 0 GFADRO Cc1cc(C)c(C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)cc1I ZINC000475183248 564302510 /nfs/dbraw/zinc/30/25/10/564302510.db2.gz NOVKUFHDQXUXKP-LBPRGKRZSA-N 1 0 384.261 2.875 20 0 GFADRO OCC[C@]1([NH2+]Cc2ccc(OC(F)(F)F)c(Br)c2)CCOC1 ZINC000475212835 564303111 /nfs/dbraw/zinc/30/31/11/564303111.db2.gz XXXLWOJBBHEZKG-ZDUSSCGKSA-N 1 0 384.192 2.979 20 0 GFADRO CC(C)[NH+]1CCN(C2CCN(S(=O)(=O)c3sccc3Cl)CC2)CC1 ZINC000451351841 564303560 /nfs/dbraw/zinc/30/35/60/564303560.db2.gz GDIXLTPDZINQNG-UHFFFAOYSA-N 1 0 391.990 2.581 20 0 GFADRO O=C(NCCOc1ncc(Cl)cc1Cl)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000565999624 564306031 /nfs/dbraw/zinc/30/60/31/564306031.db2.gz OMBCZDMVLLZAHE-STQMWFEESA-N 1 0 387.311 2.798 20 0 GFADRO O=C(C1CC[NH+]([C@H]2CCSC2)CC1)N1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000566018716 564307014 /nfs/dbraw/zinc/30/70/14/564307014.db2.gz MLMCENRVCZLJBI-HOCLYGCPSA-N 1 0 380.476 2.510 20 0 GFADRO CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)COc1cccc(Cl)c1Cl ZINC000475358589 564307121 /nfs/dbraw/zinc/30/71/21/564307121.db2.gz PQHRDMQYRWKEHE-TZMCWYRMSA-N 1 0 375.296 2.724 20 0 GFADRO COc1c[nH+]ccc1N1CCN(C(=O)c2ccsc2Br)CC1 ZINC000451383138 564307317 /nfs/dbraw/zinc/30/73/17/564307317.db2.gz ZAXZLXKPWWIGFW-UHFFFAOYSA-N 1 0 382.283 2.877 20 0 GFADRO COc1cccc(C[C@@H](C)[NH2+][C@@H](C(N)=O)c2cccc(Br)c2)n1 ZINC000475438215 564308434 /nfs/dbraw/zinc/30/84/34/564308434.db2.gz FSALZGZOLFGONE-BDJLRTHQSA-N 1 0 378.270 2.600 20 0 GFADRO CCOc1c(Br)cc(C[NH2+]Cc2cnc(C)[nH]c2=O)cc1OC ZINC000542309104 564309768 /nfs/dbraw/zinc/30/97/68/564309768.db2.gz HCHPLRKXKYMVSO-UHFFFAOYSA-N 1 0 382.258 2.950 20 0 GFADRO COc1cc(Br)c(C[NH2+]C[C@@H](O)CCOC(C)C)cc1OC ZINC000566110212 564310264 /nfs/dbraw/zinc/31/02/64/564310264.db2.gz HIRPDLKHVIDTHK-ZDUSSCGKSA-N 1 0 376.291 2.732 20 0 GFADRO Cc1cc(Br)cn2c(C[NH2+]C3CCN(C(=O)C4CC4)CC3)cnc12 ZINC000542319157 564310411 /nfs/dbraw/zinc/31/04/11/564310411.db2.gz LDKOZPJGHWBFHU-UHFFFAOYSA-N 1 0 391.313 2.896 20 0 GFADRO CCC[C@H]([NH2+]CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl)C(C)(C)C ZINC000451432393 564312264 /nfs/dbraw/zinc/31/22/64/564312264.db2.gz FVIFUOSAJBAFAD-AWEZNQCLSA-N 1 0 375.922 2.730 20 0 GFADRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)C(=O)Nc1c(F)cccc1Br ZINC000509791956 564313507 /nfs/dbraw/zinc/31/35/07/564313507.db2.gz PEXLKPFRGAJJLU-SMDDNHRTSA-N 1 0 398.276 2.612 20 0 GFADRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NS(=O)(=O)c1ccc(Cl)cc1Br ZINC000542466101 564313944 /nfs/dbraw/zinc/31/39/44/564313944.db2.gz GTVMITZTYXIIQQ-NOZJJQNGSA-N 1 0 393.734 2.864 20 0 GFADRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2S(=O)(=O)c2cccc(Br)c2F)C1 ZINC000542467680 564314571 /nfs/dbraw/zinc/31/45/71/564314571.db2.gz PTUUVUFSJZANJF-DGCLKSJQSA-N 1 0 391.306 2.693 20 0 GFADRO C[NH+](C)CC1CCC(NS(=O)(=O)c2cccc(Br)c2F)CC1 ZINC000542468526 564314968 /nfs/dbraw/zinc/31/49/68/564314968.db2.gz DFYRTXQJJCQREH-UHFFFAOYSA-N 1 0 393.322 2.987 20 0 GFADRO C[C@@H]([NH3+])C[C@H](C)NC(=O)NC1CCN(Cc2ccc(Br)cc2)CC1 ZINC000566192878 564315246 /nfs/dbraw/zinc/31/52/46/564315246.db2.gz RWZVKLVJVKSUPC-KGLIPLIRSA-N 1 0 397.361 2.839 20 0 GFADRO C[C@]([NH3+])(C(=O)N1CC[C@H](C2CCOCC2)C1)c1ccc(Br)cc1 ZINC000566191681 564315499 /nfs/dbraw/zinc/31/54/99/564315499.db2.gz TVMKJVQDYGDSBX-KBXCAEBGSA-N 1 0 381.314 2.898 20 0 GFADRO CN(Cc1ccccc1Br)C(=O)C[NH2+][C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000451466237 564316269 /nfs/dbraw/zinc/31/62/69/564316269.db2.gz RBFZBJICCDOGLS-IAOVAPTHSA-N 1 0 381.314 2.811 20 0 GFADRO Cc1cc(S(=O)(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c(F)cc1Br ZINC000566223663 564317027 /nfs/dbraw/zinc/31/70/27/564317027.db2.gz IBKGYGPZOKEZHU-WDMOLILDSA-N 1 0 391.306 2.645 20 0 GFADRO C[C@@H]1CC[N@H+](C)CCN1Cc1ccc(Br)cc1N1CCOCC1 ZINC000475719469 564317435 /nfs/dbraw/zinc/31/74/35/564317435.db2.gz TUFIBJQUYBPODY-OAHLLOKOSA-N 1 0 382.346 2.812 20 0 GFADRO Cc1cc(S(=O)(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)sc1Br ZINC000566224363 564318055 /nfs/dbraw/zinc/31/80/55/564318055.db2.gz LKNJFLRFMAKWOL-VXGBXAGGSA-N 1 0 393.372 2.829 20 0 GFADRO C[C@H]1C[NH2+]CC[C@@H]1NS(=O)(=O)Cc1cc(Cl)ccc1Br ZINC000566228712 564318379 /nfs/dbraw/zinc/31/83/79/564318379.db2.gz KLDWVFQCGKWTPD-ZANVPECISA-N 1 0 381.723 2.520 20 0 GFADRO COCC1(C(=O)Nc2ccc(CN3CC[NH+](C)CC3)c(Br)c2)CC1 ZINC000475765332 564318527 /nfs/dbraw/zinc/31/85/27/564318527.db2.gz FHAKJZWLUVTSKU-UHFFFAOYSA-N 1 0 396.329 2.562 20 0 GFADRO CS[C@H]1CN(S(=O)(=O)CCc2cccc(Cl)c2)C[C@H]1[NH+]1CCCC1 ZINC000509945241 564319414 /nfs/dbraw/zinc/31/94/14/564319414.db2.gz SIJOLWHQWWTJHE-SJORKVTESA-N 1 0 388.986 2.724 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)NC(C)(C)COc2ncccc2Br)CC[N@@H+]1C ZINC000542748823 564323944 /nfs/dbraw/zinc/32/39/44/564323944.db2.gz UPPWYIWPWHRBPO-OLZOCXBDSA-N 1 0 399.333 2.783 20 0 GFADRO C[C@@H](NC(=O)NCc1n[nH]cc1Br)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000542829466 564327944 /nfs/dbraw/zinc/32/79/44/564327944.db2.gz PEZDMLKMOUVTKO-NEPJUHHUSA-N 1 0 384.322 2.624 20 0 GFADRO Cc1cc(NC(=O)C[NH2+]C2(CO)Cc3ccccc3C2)ccc1Br ZINC000510248643 564328157 /nfs/dbraw/zinc/32/81/57/564328157.db2.gz GBSGOKIJMUGROZ-UHFFFAOYSA-N 1 0 389.293 2.816 20 0 GFADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H](C)Cc1ccc(Br)cc1 ZINC000476183180 564329724 /nfs/dbraw/zinc/32/97/24/564329724.db2.gz QYIZPSFIHHPDSS-WMLDXEAASA-N 1 0 398.345 2.790 20 0 GFADRO O=C(N[C@H](CCO)c1ccccc1Br)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000542892917 564330733 /nfs/dbraw/zinc/33/07/33/564330733.db2.gz GPHNPPXOVBROAK-BRWVUGGUSA-N 1 0 396.329 2.799 20 0 GFADRO C[C@H]([NH2+]CC(=O)N1CCC[C@@H](C(F)(F)F)C1)c1ccc([S@@](C)=O)cc1 ZINC000542977971 564334216 /nfs/dbraw/zinc/33/42/16/564334216.db2.gz SWIPXJFALCBDRS-UCSSDQKISA-N 1 0 376.444 2.876 20 0 GFADRO OC[C@@]1([C@@H]([NH2+]Cc2cc3c(c(Br)c2)OCO3)C2CC2)CCCO1 ZINC000566609560 564334257 /nfs/dbraw/zinc/33/42/57/564334257.db2.gz YLSBWXOJXDGTMR-DLBZAZTESA-N 1 0 384.270 2.588 20 0 GFADRO CCCN(CC[NH+]1CCCCC1)S(=O)(=O)c1c(C)csc1C(=O)OC ZINC000510504403 564336797 /nfs/dbraw/zinc/33/67/97/564336797.db2.gz ZAADWRSIEHEZRX-UHFFFAOYSA-N 1 0 388.555 2.730 20 0 GFADRO O=C(N[C@H]1COc2c1ccc(Cl)c2Cl)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000566672583 564337488 /nfs/dbraw/zinc/33/74/88/564337488.db2.gz LHEUGERNKUGBMW-FZMZJTMJSA-N 1 0 381.263 2.978 20 0 GFADRO O=S(=O)(CC[NH2+][C@H]1COc2ccccc2C1)c1cccc(Br)c1 ZINC000566733646 564339936 /nfs/dbraw/zinc/33/99/36/564339936.db2.gz XBZKVHYHKBRJBP-OAHLLOKOSA-N 1 0 396.306 2.816 20 0 GFADRO Cc1cc(C(=O)N[C@@H]2C[NH2+]CCC2(F)F)nn1-c1ccc(Br)cc1 ZINC000566738520 564341295 /nfs/dbraw/zinc/34/12/95/564341295.db2.gz WMHZNGIAHYRPAH-CQSZACIVSA-N 1 0 399.239 2.670 20 0 GFADRO [NH3+]C1(c2noc(Cc3cc4c(cc3Br)OCCO4)n2)CCCC1 ZINC000566737712 564341303 /nfs/dbraw/zinc/34/13/03/564341303.db2.gz HBYHQIZKKCMCNC-UHFFFAOYSA-N 1 0 380.242 2.922 20 0 GFADRO CC[N@H+](CCNS(=O)(=O)c1ccc(Cl)cc1Br)C1CC1 ZINC000543245655 564344076 /nfs/dbraw/zinc/34/40/76/564344076.db2.gz FFLAMHLRKYVGFW-UHFFFAOYSA-N 1 0 381.723 2.865 20 0 GFADRO CS(=O)(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCc2c1cccc2Br ZINC000510812983 564347469 /nfs/dbraw/zinc/34/74/69/564347469.db2.gz PMJZRZJBROCGIY-ARFHVFGLSA-N 1 0 387.343 2.886 20 0 GFADRO C/C(=C/c1cccc(C(F)(F)F)c1)C[NH2+]CC1(O)CCS(=O)(=O)CC1 ZINC000566878571 564348099 /nfs/dbraw/zinc/34/80/99/564348099.db2.gz XAWCOVKOLLTMSL-LCYFTJDESA-N 1 0 377.428 2.638 20 0 GFADRO C[C@H]1C[NH+](C(C)(C)CNC(=O)Cc2cccc(Br)c2)C[C@H](C)O1 ZINC000510909616 564349440 /nfs/dbraw/zinc/34/94/40/564349440.db2.gz BPMVQAFHROIVDS-KBPBESRZSA-N 1 0 383.330 2.996 20 0 GFADRO C[C@@H]([NH2+][C@@H](C)C(=O)N(C)Cc1ccc(Br)cc1)c1cnn(C)c1 ZINC000543506285 564353586 /nfs/dbraw/zinc/35/35/86/564353586.db2.gz ZANRYKFSDSCCJF-OLZOCXBDSA-N 1 0 379.302 2.880 20 0 GFADRO CC1(C)C[C@H](O)CC[N@H+](C[C@@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000451815977 564355072 /nfs/dbraw/zinc/35/50/72/564355072.db2.gz WLJVFRQGOUPORL-HUUCEWRRSA-N 1 0 390.293 2.811 20 0 GFADRO CC[NH+](CC)CCOCCNC(=O)Cc1cn2cc(Cl)cc(Cl)c2n1 ZINC000543609129 564355245 /nfs/dbraw/zinc/35/52/45/564355245.db2.gz LWYKIZVBGUEKDL-UHFFFAOYSA-N 1 0 387.311 2.658 20 0 GFADRO CCS(=O)(=O)N1CCC(C[NH2+]Cc2ccc(F)c(Br)c2)CC1 ZINC000543639615 564357389 /nfs/dbraw/zinc/35/73/89/564357389.db2.gz IIPCZHTVMBEUDI-UHFFFAOYSA-N 1 0 393.322 2.740 20 0 GFADRO Cc1cc(CN2CCC[C@H](S(=O)(=O)N(C)C)C2)ccc1Br ZINC000511124606 564358630 /nfs/dbraw/zinc/35/86/30/564358630.db2.gz LGSYHMSBIOHGGX-AWEZNQCLSA-N 1 0 375.332 2.613 20 0 GFADRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)N(C)CCn1cc(Br)cn1 ZINC000567140358 564359526 /nfs/dbraw/zinc/35/95/26/564359526.db2.gz XEUOFPHUDOSTDX-OKILXGFUSA-N 1 0 386.338 2.550 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1CN1CC[NH2+]C[C@H]1C(F)F ZINC000567166503 564360161 /nfs/dbraw/zinc/36/01/61/564360161.db2.gz BLNKPSCYSLDXLG-HNNXBMFYSA-N 1 0 385.256 2.982 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1CN1CC[NH2+]C[C@@H]1C(F)F ZINC000567166504 564360170 /nfs/dbraw/zinc/36/01/70/564360170.db2.gz BLNKPSCYSLDXLG-OAHLLOKOSA-N 1 0 385.256 2.982 20 0 GFADRO C[C@H]1CN(CC(F)(F)F)CC[N@H+](C[C@H](O)COc2ccc(Cl)cc2)C1 ZINC000451870823 564361586 /nfs/dbraw/zinc/36/15/86/564361586.db2.gz ISUSBJXPNJEPGR-HIFRSBDPSA-N 1 0 380.838 2.896 20 0 GFADRO COc1cc(Br)c(CN2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)cc1O ZINC000567243053 564362753 /nfs/dbraw/zinc/36/27/53/564362753.db2.gz MQZNOEPHKWDYKT-RHSMWYFYSA-N 1 0 399.329 2.882 20 0 GFADRO CSC[C@@H]([NH2+]C[C@@H]1CS(=O)(=O)CCO1)c1ccc(C(F)(F)F)cc1 ZINC000543773833 564362843 /nfs/dbraw/zinc/36/28/43/564362843.db2.gz DALLGBAVQRLSKK-ZIAGYGMSSA-N 1 0 383.457 2.513 20 0 GFADRO [NH3+]C[C@H](NC(=O)N1CCC[C@@H](Nc2cccc(Br)c2)C1)C1CC1 ZINC000567248230 564363258 /nfs/dbraw/zinc/36/32/58/564363258.db2.gz RULJMPWVWGMTJP-CVEARBPZSA-N 1 0 381.318 2.772 20 0 GFADRO C[C@H](NC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1)c1cc(Cl)ccc1Cl ZINC000567261737 564364273 /nfs/dbraw/zinc/36/42/73/564364273.db2.gz IRLOMFIHUJGAIK-JMPLFQLZSA-N 1 0 382.295 2.924 20 0 GFADRO O=C1CC[C@H]([NH+]2CCN(CCOc3ccc(Cl)cc3Cl)CC2)CCN1 ZINC000451919634 564367569 /nfs/dbraw/zinc/36/75/69/564367569.db2.gz SQCBHNVMJDERSV-HNNXBMFYSA-N 1 0 386.323 2.659 20 0 GFADRO C[NH2+]C1CCN(S(=O)(=O)c2ccc3ccccc3c2Br)CC1 ZINC000567351434 564368210 /nfs/dbraw/zinc/36/82/10/564368210.db2.gz NSOORRQUEYIBTI-UHFFFAOYSA-N 1 0 383.311 2.975 20 0 GFADRO COc1cc(Br)ccc1CCC(=O)NCCCC[NH+]1CCOCC1 ZINC000543934312 564368564 /nfs/dbraw/zinc/36/85/64/564368564.db2.gz MDKJXJZEDXUNEL-UHFFFAOYSA-N 1 0 399.329 2.619 20 0 GFADRO COc1cc([C@@H](C)[NH2+]CCNS(=O)(=O)c2ccc(F)cc2Cl)ccn1 ZINC000567373666 564368588 /nfs/dbraw/zinc/36/85/88/564368588.db2.gz VOFUAVLAFXWMBF-LLVKDONJSA-N 1 0 387.864 2.512 20 0 GFADRO O=S1(=O)CCC[C@H]1C[NH2+]Cc1cccc(Br)c1OC(F)F ZINC000567368999 564368937 /nfs/dbraw/zinc/36/89/37/564368937.db2.gz MOOQVDMMLSVMKZ-JTQLQIEISA-N 1 0 384.242 2.717 20 0 GFADRO CN(C)CC[N@H+](C)CCCN(C)C(=O)[C@H]1CCc2cc(Br)ccc21 ZINC000567391226 564370224 /nfs/dbraw/zinc/37/02/24/564370224.db2.gz WVCNEYCYTXQJNM-SFHVURJKSA-N 1 0 396.373 2.821 20 0 GFADRO CC(C)[NH+](CCNS(=O)(=O)c1cccc(Br)c1F)C(C)C ZINC000544001267 564371762 /nfs/dbraw/zinc/37/17/62/564371762.db2.gz MYQRLYSLPLAPLQ-UHFFFAOYSA-N 1 0 381.311 2.985 20 0 GFADRO CS(=O)(=O)N1CCC[C@H]([NH2+][C@@H]2CCCc3c(Br)cccc32)C1 ZINC000544043466 564372510 /nfs/dbraw/zinc/37/25/10/564372510.db2.gz VHCKQWHLPNAYMI-BLLLJJGKSA-N 1 0 387.343 2.840 20 0 GFADRO CC[C@@H](C)[N@H+](C)CCNC(=O)COc1ccc(Br)cc1C(C)=O ZINC000511461797 564373477 /nfs/dbraw/zinc/37/34/77/564373477.db2.gz OVSIFWLMDVMAGN-GFCCVEGCSA-N 1 0 385.302 2.877 20 0 GFADRO C[C@@H](CC[NH3+])NC(=O)c1cccn1-c1cccc(I)c1 ZINC000477360193 564374050 /nfs/dbraw/zinc/37/40/50/564374050.db2.gz NPZMELMFLMCNGB-NSHDSACASA-N 1 0 383.233 2.549 20 0 GFADRO COc1ccc(CNC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1Br ZINC000511561172 564375637 /nfs/dbraw/zinc/37/56/37/564375637.db2.gz OXDKRJLAKPEYEJ-CABCVRRESA-N 1 0 382.302 2.884 20 0 GFADRO CN(C)S(=O)(=O)CCC[NH2+][C@H](c1cccc(OC(F)(F)F)c1)C1CC1 ZINC000511582959 564376462 /nfs/dbraw/zinc/37/64/62/564376462.db2.gz BMKLFRVQHOORNG-HNNXBMFYSA-N 1 0 380.432 2.907 20 0 GFADRO CN(C)S(=O)(=O)n1ccnc1C[NH2+][C@H]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000567557916 564376590 /nfs/dbraw/zinc/37/65/90/564376590.db2.gz RORMEEVOLCKAMZ-HOCLYGCPSA-N 1 0 382.917 2.617 20 0 GFADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N(Cc1cccs1)C(C)C ZINC000477521950 564379236 /nfs/dbraw/zinc/37/92/36/564379236.db2.gz HKLWTGVZCWRBTE-UHFFFAOYSA-N 1 0 384.571 2.722 20 0 GFADRO Cc1ccc(C[C@H](CO)[NH2+][C@@H](C)Cn2cc(Br)ccc2=O)cc1 ZINC000567633064 564380176 /nfs/dbraw/zinc/38/01/76/564380176.db2.gz MTMNBYBWFVPSBS-WMLDXEAASA-N 1 0 379.298 2.501 20 0 GFADRO CCC(C)(C)[NH2+][C@H](C)C(=O)N1CCNC(=O)[C@H]1c1cccc(Br)c1 ZINC000477613519 564382025 /nfs/dbraw/zinc/38/20/25/564382025.db2.gz RSAABEIOKIHNLK-IUODEOHRSA-N 1 0 396.329 2.615 20 0 GFADRO CN1CC[C@@H](C[NH2+][C@@H](c2ccc(Br)cc2)c2cncnc2)CC1=O ZINC000567663142 564382333 /nfs/dbraw/zinc/38/23/33/564382333.db2.gz BHLUANCAOCQMSQ-ACJLOTCBSA-N 1 0 389.297 2.787 20 0 GFADRO Cc1nccn1CCCC[NH2+]C[C@H](O)COc1ccc(Br)cc1 ZINC000567690141 564383531 /nfs/dbraw/zinc/38/35/31/564383531.db2.gz ZCMYSZFJRMTVBD-INIZCTEOSA-N 1 0 382.302 2.764 20 0 GFADRO CS(=O)(=O)C1(C[NH2+]C[C@@H](O)COc2c(Cl)cccc2Cl)CCCC1 ZINC000567708023 564384118 /nfs/dbraw/zinc/38/41/18/564384118.db2.gz HNNJBSXUQHDQSU-GFCCVEGCSA-N 1 0 396.336 2.680 20 0 GFADRO CCc1ccc(CNC(=O)C[N@H+](C)C2CCN(CC(F)(F)F)CC2)s1 ZINC000452028026 564384635 /nfs/dbraw/zinc/38/46/35/564384635.db2.gz BFXIODZFBBMXEW-UHFFFAOYSA-N 1 0 377.476 2.885 20 0 GFADRO Brc1cnc(CN2CC[N@@H+]3CCC[C@H]3C2)c(Br)c1 ZINC000544404737 564385817 /nfs/dbraw/zinc/38/58/17/564385817.db2.gz OIPIKHIBIFKTEF-NSHDSACASA-N 1 0 375.108 2.887 20 0 GFADRO COc1cc(C[N@@H+](C)C[C@H](C)OC)cc(I)c1OC ZINC000567793204 564389337 /nfs/dbraw/zinc/38/93/37/564389337.db2.gz FQTPUJSHIRYAGW-JTQLQIEISA-N 1 0 379.238 2.775 20 0 GFADRO CCS(=O)(=O)N1CCC(C[NH2+]Cc2ccc(OC(F)F)c(F)c2)CC1 ZINC000544617363 564390523 /nfs/dbraw/zinc/39/05/23/564390523.db2.gz SBAYPDVCVKDINQ-UHFFFAOYSA-N 1 0 380.432 2.578 20 0 GFADRO CC1(C)CCC[N@@H+]1CCNS(=O)(=O)Cc1ccccc1Br ZINC000452095426 564390650 /nfs/dbraw/zinc/39/06/50/564390650.db2.gz YPUVMRBSCGDXDP-UHFFFAOYSA-N 1 0 375.332 2.743 20 0 GFADRO CC1CC([NH2+][C@@H]2CCCN(S(=O)(=O)c3ccc(Br)cc3)C2)C1 ZINC000477914222 564390867 /nfs/dbraw/zinc/39/08/67/564390867.db2.gz IJDJSZMENAVJEL-HNFVBEJKSA-N 1 0 387.343 2.990 20 0 GFADRO CCS(=O)(=O)N1CCC(C[NH2+]Cc2nc(-c3ccccc3)cs2)CC1 ZINC000544617124 564390940 /nfs/dbraw/zinc/39/09/40/564390940.db2.gz OYVAZAHDIGRKEF-UHFFFAOYSA-N 1 0 379.551 2.961 20 0 GFADRO CC[C@@H](C)[NH2+][C@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 ZINC000477921976 564390937 /nfs/dbraw/zinc/39/09/37/564390937.db2.gz PKIFWIBEPBJJMT-OCCSQVGLSA-N 1 0 375.332 2.990 20 0 GFADRO [NH3+]CC1CCN(S(=O)(=O)Cc2cc(Cl)ccc2Br)CC1 ZINC000567850590 564392619 /nfs/dbraw/zinc/39/26/19/564392619.db2.gz NOPASXMNTNLVFO-UHFFFAOYSA-N 1 0 381.723 2.603 20 0 GFADRO [NH3+][C@H]1CCC[C@@H](CNS(=O)(=O)c2cccc(Cl)c2Br)C1 ZINC000567862193 564393069 /nfs/dbraw/zinc/39/30/69/564393069.db2.gz RMDXBUUYEBOFTL-ZJUUUORDSA-N 1 0 381.723 2.898 20 0 GFADRO CC(C)[N@@H+]1CC[C@H](N(C)C[C@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000452110830 564394174 /nfs/dbraw/zinc/39/41/74/564394174.db2.gz AOMTWPUERFXWLA-HOTGVXAUSA-N 1 0 389.309 2.742 20 0 GFADRO CCCC[N@H+](C)CCNC(=O)NCc1cn2cc(Br)cc(C)c2n1 ZINC000544683357 564394350 /nfs/dbraw/zinc/39/43/50/564394350.db2.gz NUCMGFSMRFFUQX-UHFFFAOYSA-N 1 0 396.333 2.936 20 0 GFADRO CC[NH+](CC)Cc1ccc(CNC(=O)Cn2cc(Br)cn2)cc1 ZINC000512388409 564399547 /nfs/dbraw/zinc/39/95/47/564399547.db2.gz ZRMOJXAMTYHBKF-UHFFFAOYSA-N 1 0 379.302 2.804 20 0 GFADRO COc1c[nH+]ccc1N1CCN(C(=O)c2oc(Br)cc2C)CC1 ZINC000478435954 564402369 /nfs/dbraw/zinc/40/23/69/564402369.db2.gz MZVMLCUUFGXACA-UHFFFAOYSA-N 1 0 380.242 2.717 20 0 GFADRO COc1c[nH+]ccc1N1CCN(C(=O)[C@H]2SCCc3sccc32)CC1 ZINC000478437430 564402760 /nfs/dbraw/zinc/40/27/60/564402760.db2.gz PJYZORIEVCLKSF-KRWDZBQOSA-N 1 0 375.519 2.831 20 0 GFADRO COc1ccc(C[N@@H+]2CCCC[C@H]2[C@H]2CNC(=O)C2)c(Br)c1O ZINC000544928318 564404364 /nfs/dbraw/zinc/40/43/64/564404364.db2.gz XKKXUMPHSPWSGC-OLZOCXBDSA-N 1 0 383.286 2.654 20 0 GFADRO CC(C)c1cnc(CNc2cccc(S(=O)(=O)NCC[NH+](C)C)c2)s1 ZINC000512618172 564406955 /nfs/dbraw/zinc/40/69/55/564406955.db2.gz QUGHOCDETODMEH-UHFFFAOYSA-N 1 0 382.555 2.719 20 0 GFADRO O=C(NC[C@@H]1CCC[N@H+]1CCCO)c1cc2c(ccc(F)c2Br)[nH]1 ZINC000452343927 564407018 /nfs/dbraw/zinc/40/70/18/564407018.db2.gz MLJHXJMMXQTTFT-NSHDSACASA-N 1 0 398.276 2.646 20 0 GFADRO O=C(NCCOc1ccc(Cl)cn1)[C@@H]1C[NH2+]C[C@H]1c1ccc(Cl)cc1 ZINC000568160955 564407383 /nfs/dbraw/zinc/40/73/83/564407383.db2.gz JLXURBJFUCZZPH-JKSUJKDBSA-N 1 0 380.275 2.887 20 0 GFADRO COC(=O)[C@@H](Sc1nnnn1CC[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000478558995 564407442 /nfs/dbraw/zinc/40/74/42/564407442.db2.gz UVSQJVSRTXRCSC-LBPRGKRZSA-N 1 0 390.296 2.548 20 0 GFADRO O=c1cc(C[N@@H+]2CC[C@H](c3ccncc3)C2)nc2ccc(Br)cn12 ZINC000568177910 564407986 /nfs/dbraw/zinc/40/79/86/564407986.db2.gz BYWOEJUHTZCJHO-AWEZNQCLSA-N 1 0 385.265 2.842 20 0 GFADRO C[C@@H](Oc1cc(Cl)cc(Cl)c1)C(=O)NC[C@@H]1CCC[N@@H+]1CCCO ZINC000452355856 564408404 /nfs/dbraw/zinc/40/84/04/564408404.db2.gz ZCYMZDZXCQGCJZ-DOMZBBRYSA-N 1 0 375.296 2.724 20 0 GFADRO Cc1cc(Br)cc(C)c1S(=O)(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000512708616 564408478 /nfs/dbraw/zinc/40/84/78/564408478.db2.gz UWDZMOXKGKHYKV-GJZGRUSLSA-N 1 0 387.343 2.971 20 0 GFADRO C[C@H](C(=O)NC[C@H]1CCC[N@@H+]1CCCO)c1ccc(Br)s1 ZINC000452362826 564409297 /nfs/dbraw/zinc/40/92/97/564409297.db2.gz LLDICGWXUYUIKN-NWDGAFQWSA-N 1 0 375.332 2.577 20 0 GFADRO CCS(=O)(=O)N(C)CCC[NH2+]Cc1cc2cc(Br)ccc2o1 ZINC000568272943 564412364 /nfs/dbraw/zinc/41/23/64/564412364.db2.gz DSMIWOWTGQBHCD-UHFFFAOYSA-N 1 0 389.315 2.957 20 0 GFADRO O=C(NC[C@@H]1CCCC[N@H+]1CCO)c1cc2ccc(Br)cc2[nH]1 ZINC000452389190 564412896 /nfs/dbraw/zinc/41/28/96/564412896.db2.gz LLOJODUSBSMPBA-AWEZNQCLSA-N 1 0 380.286 2.507 20 0 GFADRO Cc1cc(Br)ccc1C[NH2+]C[C@@H]1CCCC[C@@H]1NS(C)(=O)=O ZINC000512848963 564413463 /nfs/dbraw/zinc/41/34/63/564413463.db2.gz AQCQECBKOMTAOF-HOCLYGCPSA-N 1 0 389.359 2.955 20 0 GFADRO C[N@H+](Cc1ccccc1)[C@H](CNS(=O)(=O)c1cncc(Cl)c1)C1CC1 ZINC000478778890 564415462 /nfs/dbraw/zinc/41/54/62/564415462.db2.gz GPDPYYOGKKBZBD-GOSISDBHSA-N 1 0 379.913 2.924 20 0 GFADRO CC[C@H](C)[C@H]([NH3+])C(=O)NCc1ccc(I)c(Cl)c1 ZINC000568391109 564416758 /nfs/dbraw/zinc/41/67/58/564416758.db2.gz CKEJAIOMCJHBKG-UFBFGSQYSA-N 1 0 380.657 2.934 20 0 GFADRO C[C@H](NS(=O)(=O)c1ccc(Br)o1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000545369360 564420472 /nfs/dbraw/zinc/42/04/72/564420472.db2.gz CCBOTAPTMZCZBD-NWDGAFQWSA-N 1 0 391.331 2.973 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)C(=O)NCC(C)(C)C[NH+](C)C ZINC000479030837 564422510 /nfs/dbraw/zinc/42/25/10/564422510.db2.gz JWRHLTDLKBCXQH-UHFFFAOYSA-N 1 0 384.318 2.654 20 0 GFADRO O=C(Nc1cnn(-c2ncc(Cl)cc2Cl)c1)N1CCC2(CC[NH2+]2)CC1 ZINC000568617143 564426780 /nfs/dbraw/zinc/42/67/80/564426780.db2.gz LJTMDXGRFJVNGZ-UHFFFAOYSA-N 1 0 381.267 2.934 20 0 GFADRO COc1cc(Cl)c(CN2CCN(C(=O)C[NH+]3CCCC3)CC2)cc1Cl ZINC000513377038 564428374 /nfs/dbraw/zinc/42/83/74/564428374.db2.gz RNNHLPWGWBUSII-UHFFFAOYSA-N 1 0 386.323 2.742 20 0 GFADRO CC(C)(C)S(=O)(=O)Cc1ccc(NC(=O)c2csc(CC[NH3+])n2)cc1 ZINC000479152200 564428682 /nfs/dbraw/zinc/42/86/82/564428682.db2.gz GOINDKIIOZXIFZ-UHFFFAOYSA-N 1 0 381.523 2.610 20 0 GFADRO C[C@@H]1CC[N@H+](CC(=O)Nc2cc(Br)ccc2N2CCOCC2)C1 ZINC000568650379 564428924 /nfs/dbraw/zinc/42/89/24/564428924.db2.gz OONBHOXPMYYSSL-CYBMUJFWSA-N 1 0 382.302 2.566 20 0 GFADRO CC[NH+](CC)CCS(=O)(=O)N1CCCN(Cc2ccc(Cl)cc2)CC1 ZINC000568656677 564429084 /nfs/dbraw/zinc/42/90/84/564429084.db2.gz YDOJCALITFDNLX-UHFFFAOYSA-N 1 0 387.977 2.519 20 0 GFADRO O=C(NC[C@H]1CCC[N@H+]1CCCO)c1[nH]c2ccccc2c1Br ZINC000452779214 564431078 /nfs/dbraw/zinc/43/10/78/564431078.db2.gz FPUXZIKRDSCGIH-GFCCVEGCSA-N 1 0 380.286 2.507 20 0 GFADRO Cn1nc2c(c1C[NH2+]C[C@@H](O)COc1cccc(Br)c1)CCCC2 ZINC000568752810 564433467 /nfs/dbraw/zinc/43/34/67/564433467.db2.gz SOWMSHOVDJHJGL-CQSZACIVSA-N 1 0 394.313 2.591 20 0 GFADRO CCOc1cc(C[NH2+]C(C)(C)CS(C)(=O)=O)ccc1OCC(F)(F)F ZINC000545874973 564435618 /nfs/dbraw/zinc/43/56/18/564435618.db2.gz HKTAFKRLZGBKDW-UHFFFAOYSA-N 1 0 383.432 2.939 20 0 GFADRO C[C@H](NCC[NH+]1CCCCC1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000479333914 564436389 /nfs/dbraw/zinc/43/63/89/564436389.db2.gz IFIWPWNNDJMKPX-NSHDSACASA-N 1 0 380.341 2.777 20 0 GFADRO C[C@@H]([NH2+][C@H](C)c1ccc(F)c(I)c1)C(=O)NCCF ZINC000453205022 564449989 /nfs/dbraw/zinc/44/99/89/564449989.db2.gz COTQAFLMBIRYGK-RKDXNWHRSA-N 1 0 382.192 2.555 20 0 GFADRO COC(=O)CCCN1CCC([NH2+]CCOc2ncc(Cl)cc2Cl)CC1 ZINC000545916740 564437613 /nfs/dbraw/zinc/43/76/13/564437613.db2.gz FLNFDIZUQPYJBK-UHFFFAOYSA-N 1 0 390.311 2.774 20 0 GFADRO Cc1cc(CNC(=O)N[C@H](C)C[C@H](C)[NH3+])ccc1I ZINC000568864141 564438186 /nfs/dbraw/zinc/43/81/86/564438186.db2.gz YZOVFHWFRNPZFR-WDEREUQCSA-N 1 0 375.254 2.525 20 0 GFADRO CSC1(CNC(=O)NCCc2nc(C(F)(F)F)cs2)CC[NH+](C)CC1 ZINC000568862968 564438191 /nfs/dbraw/zinc/43/81/91/564438191.db2.gz KCWSXPFWZVSUDU-UHFFFAOYSA-N 1 0 396.504 2.831 20 0 GFADRO CC(C)[NH2+]C1(CO)CCN(Cc2cc3c(cc2Br)OCO3)CC1 ZINC000568880148 564438878 /nfs/dbraw/zinc/43/88/78/564438878.db2.gz NLAJKIWYSHBTBW-UHFFFAOYSA-N 1 0 385.302 2.503 20 0 GFADRO CC[C@@H]([NH2+][C@@H]1CCn2ccnc2C1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000568943669 564441534 /nfs/dbraw/zinc/44/15/34/564441534.db2.gz FHEPXQJWFUSQDJ-UKRRQHHQSA-N 1 0 382.917 2.500 20 0 GFADRO O=S(=O)(c1cccc2c(Cl)ccnc21)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000569003586 564444674 /nfs/dbraw/zinc/44/46/74/564444674.db2.gz OXKXUNRGRUABGY-CQSZACIVSA-N 1 0 379.913 2.898 20 0 GFADRO COC(=O)c1ccc(Br)cc1C[N@H+](C)C[C@H]1CCN(C(C)=O)C1 ZINC000514083988 564445738 /nfs/dbraw/zinc/44/57/38/564445738.db2.gz PEDQOEPRNWDHOP-CYBMUJFWSA-N 1 0 383.286 2.536 20 0 GFADRO C[C@H]([NH2+]C[C@H]1CCS(=O)(=O)C1)c1ccc(F)c(I)c1 ZINC000453081520 564445928 /nfs/dbraw/zinc/44/59/28/564445928.db2.gz ULLQLGLSCSWNGJ-VHSXEESVSA-N 1 0 397.253 2.516 20 0 GFADRO CN1CCN(C(=O)CC[NH2+][C@@H](c2cc(F)cc(Br)c2)C2CC2)CC1 ZINC000514213940 564447463 /nfs/dbraw/zinc/44/74/63/564447463.db2.gz JKVNWPBLCVXYJS-GOSISDBHSA-N 1 0 398.320 2.793 20 0 GFADRO CCOC(=O)[C@H](C)[C@@H](C)[NH2+]CCS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000514241551 564447656 /nfs/dbraw/zinc/44/76/56/564447656.db2.gz LEKCHWYRLMDPGV-GHMZBOCLSA-N 1 0 382.309 2.944 20 0 GFADRO CCS(=O)(=O)C[C@H](C)[NH2+][C@H](C)c1ccc(F)c(I)c1 ZINC000453140422 564447628 /nfs/dbraw/zinc/44/76/28/564447628.db2.gz KFIYKKSTZGNJFE-VHSXEESVSA-N 1 0 399.269 2.904 20 0 GFADRO C[C@@H]([NH2+]C[C@@]1(O)CCSC1)c1ccc(F)c(I)c1 ZINC000453144417 564448134 /nfs/dbraw/zinc/44/81/34/564448134.db2.gz VWANYHRRQOSUBA-RNCFNFMXSA-N 1 0 381.254 2.949 20 0 GFADRO Cc1cc(Br)cn2cc(CC[NH2+]C[C@@H](O)CCOC(C)C)nc12 ZINC000569096844 564449184 /nfs/dbraw/zinc/44/91/84/564449184.db2.gz OXKICXBHPYXWJI-INIZCTEOSA-N 1 0 384.318 2.713 20 0 GFADRO C[C@H](OC[C@@H](O)C[NH2+]CCC(C)(C)S(C)(=O)=O)c1ccc(Cl)cc1 ZINC000569111321 564449920 /nfs/dbraw/zinc/44/99/20/564449920.db2.gz QBHDIYWWUXRKHX-BBRMVZONSA-N 1 0 377.934 2.581 20 0 GFADRO C[C@H]([NH2+]C[C@H]1CCCCN1CCO)c1ccc(I)cc1 ZINC000453261109 564451226 /nfs/dbraw/zinc/45/12/26/564451226.db2.gz JWDOECDPYGWSFN-XJKSGUPXSA-N 1 0 388.293 2.789 20 0 GFADRO COCCN(C)S(=O)(=O)[C@H]1CCC[N@H+](C[C@H](C)c2cccc(Cl)c2)C1 ZINC000569157314 564452042 /nfs/dbraw/zinc/45/20/42/564452042.db2.gz JIZHWVIZKROELG-YJBOKZPZSA-N 1 0 388.961 2.816 20 0 GFADRO CC[C@H](CNS(C)(=O)=O)[NH2+][C@@H]1CCSc2ccc(Br)cc21 ZINC000453295446 564453197 /nfs/dbraw/zinc/45/31/97/564453197.db2.gz YBFUJDJYUOILQK-DGCLKSJQSA-N 1 0 393.372 2.903 20 0 GFADRO Cc1ccc(Br)cc1CNC(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000569204076 564453232 /nfs/dbraw/zinc/45/32/32/564453232.db2.gz CDUVPHMRGYKUDE-SJORKVTESA-N 1 0 396.329 2.795 20 0 GFADRO COc1ccc(C[C@@H](CO)C[NH2+][C@H](C)c2cnn(C)c2)cc1Br ZINC000453338875 564454068 /nfs/dbraw/zinc/45/40/68/564454068.db2.gz AZMUBDYZAOPBEK-TZMCWYRMSA-N 1 0 382.302 2.693 20 0 GFADRO C[C@@H]([NH2+][C@@H](C)Cc1cnn(C)c1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000453357203 564454717 /nfs/dbraw/zinc/45/47/17/564454717.db2.gz RXAUZBSNQZJMPH-VHSXEESVSA-N 1 0 391.324 2.656 20 0 GFADRO Cc1ccc(C[C@H](CO)C[NH2+][C@@H](C)C(C)(C)n2cncn2)cc1Br ZINC000453372898 564454729 /nfs/dbraw/zinc/45/47/29/564454729.db2.gz NZNHLFKWZSZAOM-HOCLYGCPSA-N 1 0 395.345 2.913 20 0 GFADRO Cc1c(Br)cccc1C[C@@H](CO)C[NH2+][C@@H](C)Cc1cnccn1 ZINC000453371009 564454868 /nfs/dbraw/zinc/45/48/68/564454868.db2.gz NPERPKHRKHOBKV-DZGCQCFKSA-N 1 0 378.314 2.919 20 0 GFADRO COc1cc(NC(=O)[C@]2(c3ccccc3)CC[NH2+]C2)ncc1Br ZINC000569239860 564455374 /nfs/dbraw/zinc/45/53/74/564455374.db2.gz AKXJPSYFRXVACJ-QGZVFWFLSA-N 1 0 376.254 2.723 20 0 GFADRO C[C@H]([NH3+])C1CCN(C(=O)CNC(=O)c2sc3ccccc3c2Cl)CC1 ZINC000569240688 564455496 /nfs/dbraw/zinc/45/54/96/564455496.db2.gz FAZYIPZLLBOFOE-NSHDSACASA-N 1 0 379.913 2.870 20 0 GFADRO C[C@H]([NH2+]C[C@@H](CO)Cc1ccc(F)c(Br)c1)C(C)(C)n1cncn1 ZINC000453392296 564455896 /nfs/dbraw/zinc/45/58/96/564455896.db2.gz YURVGFUUKIOUNP-JSGCOSHPSA-N 1 0 399.308 2.744 20 0 GFADRO C[C@@H]([NH2+]C[C@@H](CO)Cc1cc(Br)ccc1F)c1ccc(=O)[nH]n1 ZINC000453387904 564455905 /nfs/dbraw/zinc/45/59/05/564455905.db2.gz WEYMGIAFTSKPAM-MNOVXSKESA-N 1 0 384.249 2.586 20 0 GFADRO COc1ccc(C[C@@H](CO)C[NH2+][C@@H](C)Cc2cnccn2)cc1Br ZINC000453389750 564456019 /nfs/dbraw/zinc/45/60/19/564456019.db2.gz XODLWSWVCIGDMT-DZGCQCFKSA-N 1 0 394.313 2.620 20 0 GFADRO C[N@@H+]1CC[C@@](O)(CNC(=O)Nc2ccc(Br)c(C(F)(F)F)c2)C1 ZINC000546576718 564460030 /nfs/dbraw/zinc/46/00/30/564460030.db2.gz DWANWGFPDPTQTD-CYBMUJFWSA-N 1 0 396.207 2.656 20 0 GFADRO Cc1cc(Br)cn2c(C[NH2+][C@@H]3C[C@H]4CCCCN4C3=O)cnc12 ZINC000453641775 564460910 /nfs/dbraw/zinc/46/09/10/564460910.db2.gz YMEZISAYYQVUGZ-UKRRQHHQSA-N 1 0 377.286 2.648 20 0 GFADRO C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CC1(N2CCOCC2)CC1 ZINC000569432631 564462900 /nfs/dbraw/zinc/46/29/00/564462900.db2.gz GRUNDRVHLVYXNO-AWEZNQCLSA-N 1 0 396.329 2.621 20 0 GFADRO C[C@H](O)C[C@H](C)C[NH2+][C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000480208048 564463908 /nfs/dbraw/zinc/46/39/08/564463908.db2.gz GYRVQALZTFZTLO-COPLHBTASA-N 1 0 376.316 2.664 20 0 GFADRO CC(C)N(C)CC[NH2+][C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000480218451 564465234 /nfs/dbraw/zinc/46/52/34/564465234.db2.gz CTDPWDIUPDEQIT-AWEZNQCLSA-N 1 0 375.332 2.597 20 0 GFADRO O=S1(=O)CC[C@H]([NH2+][C@@H]2CCN3CCCC[C@@H]23)c2cc(Br)ccc21 ZINC000480228515 564465259 /nfs/dbraw/zinc/46/52/59/564465259.db2.gz OHLXTIHGQJJWJH-XHSDSOJGSA-N 1 0 399.354 2.884 20 0 GFADRO Cc1ccc(F)c(Br)c1NC(=O)C(=O)NCC[N@H+]1CC=C(C)CC1 ZINC000453687161 564465518 /nfs/dbraw/zinc/46/55/18/564465518.db2.gz JVPXVXQPABDHCP-UHFFFAOYSA-N 1 0 398.276 2.603 20 0 GFADRO O=S1(=O)CC[C@H]([NH2+]CCc2cccnc2)c2cc(Br)ccc21 ZINC000480258767 564466138 /nfs/dbraw/zinc/46/61/38/564466138.db2.gz NOAMNEGKQUAJFC-HNNXBMFYSA-N 1 0 381.295 2.895 20 0 GFADRO COC(=O)c1cn(CC[NH2+][C@@H](c2ccc(Br)cc2F)C2CC2)nn1 ZINC000569513707 564466716 /nfs/dbraw/zinc/46/67/16/564466716.db2.gz PJBVZZZBDOBHAR-OAHLLOKOSA-N 1 0 397.248 2.707 20 0 GFADRO C[C@H]1CC[N@H+](C)CCN1C(=O)C(=O)Nc1cc(Cl)cc(Br)c1 ZINC000453704531 564467208 /nfs/dbraw/zinc/46/72/08/564467208.db2.gz FJHZRVBRQWIJMV-JTQLQIEISA-N 1 0 388.693 2.594 20 0 GFADRO C[N@H+](CCCNS(=O)(=O)c1ccc(Br)o1)Cc1ccccc1 ZINC000546798150 564468934 /nfs/dbraw/zinc/46/89/34/564468934.db2.gz ZCGXHIRALCWSBB-UHFFFAOYSA-N 1 0 387.299 2.843 20 0 GFADRO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N[C@H]1CCSc2ccc(Cl)cc21 ZINC000515239683 564472927 /nfs/dbraw/zinc/47/29/27/564472927.db2.gz MGCRNPMBYUBUDH-DOMZBBRYSA-N 1 0 383.945 2.840 20 0 GFADRO CC[C@H](Cc1ccccc1Br)C(=O)N1CC[C@@H](OC)C[C@H]1C[NH3+] ZINC000515234033 564472931 /nfs/dbraw/zinc/47/29/31/564472931.db2.gz UGHOBEPDADJVOD-VNQPRFMTSA-N 1 0 383.330 2.983 20 0 GFADRO O=C(CN1CCOc2cc(Cl)c(Cl)cc21)NC1CC[NH+](C2CC2)CC1 ZINC000569714191 564475353 /nfs/dbraw/zinc/47/53/53/564475353.db2.gz XGIBVBJVMVDMNO-UHFFFAOYSA-N 1 0 384.307 2.935 20 0 GFADRO COc1ccc(Br)c(CC(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000569807958 564479154 /nfs/dbraw/zinc/47/91/54/564479154.db2.gz GZKVGWXBPOYOLU-KBPBESRZSA-N 1 0 381.314 2.848 20 0 GFADRO CCOc1c(Cl)cc(NC(=O)C(=O)NCC[N@@H+]2CC[C@H](C)C2)cc1Cl ZINC000547352937 564486272 /nfs/dbraw/zinc/48/62/72/564486272.db2.gz IKKZGCSPOQJJHW-NSHDSACASA-N 1 0 388.295 2.789 20 0 GFADRO C[C@H](CNC(=O)CNC(=O)c1ccc(Br)cc1)[N@@H+]1CCCC[C@@H]1C ZINC000547449614 564488761 /nfs/dbraw/zinc/48/87/61/564488761.db2.gz QBCDYGXOQWYQIZ-UONOGXRCSA-N 1 0 396.329 2.558 20 0 GFADRO Cc1cc(Br)cc(C)c1S(=O)(=O)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000480836100 564490064 /nfs/dbraw/zinc/49/00/64/564490064.db2.gz GMIDUOBGBUNIHU-IUODEOHRSA-N 1 0 387.343 2.827 20 0 GFADRO C[N@H+](C[C@H](O)CN1C(=O)CC(c2c(Cl)cccc2Cl)CC1=O)C1CC1 ZINC000515931629 564490187 /nfs/dbraw/zinc/49/01/87/564490187.db2.gz OAJSAFUALCMZNQ-ZDUSSCGKSA-N 1 0 385.291 2.681 20 0 GFADRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NS(=O)(=O)c1cc(Br)ccc1Cl ZINC000480869438 564492521 /nfs/dbraw/zinc/49/25/21/564492521.db2.gz DUADPHYLCAHTPO-RNCFNFMXSA-N 1 0 393.734 2.864 20 0 GFADRO CCOCCOC[C@H](O)C[NH2+]CC1=Cc2cc(Cl)cc(Cl)c2OC1 ZINC000480902648 564494695 /nfs/dbraw/zinc/49/46/95/564494695.db2.gz SPVYYISZDOBQNP-OAHLLOKOSA-N 1 0 376.280 2.773 20 0 GFADRO COC(=O)c1cc(S(=O)(=O)N[C@H](C)[C@@H](c2ccccc2)[NH+](C)C)cs1 ZINC000480898639 564494730 /nfs/dbraw/zinc/49/47/30/564494730.db2.gz NNJPASDGSAUBIE-WBMJQRKESA-N 1 0 382.507 2.504 20 0 GFADRO C[C@H](NCc1cc(Cl)cc(S(N)(=O)=O)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000570215915 564495987 /nfs/dbraw/zinc/49/59/87/564495987.db2.gz MDOFNSARJKPNKM-DZGCQCFKSA-N 1 0 385.961 2.730 20 0 GFADRO CN(C)c1cc[nH+]cc1C(=O)N1CCOc2ccc(Br)cc2C1 ZINC000516195878 564496088 /nfs/dbraw/zinc/49/60/88/564496088.db2.gz BSJUDDKBIUPKNR-UHFFFAOYSA-N 1 0 376.254 2.945 20 0 GFADRO CCn1ncc(NC(=O)NCC2(SC)CC[NH+](C)CC2)c1C(F)(F)F ZINC000516218537 564496777 /nfs/dbraw/zinc/49/67/77/564496777.db2.gz FAZNORSSMZEQLH-UHFFFAOYSA-N 1 0 379.452 2.871 20 0 GFADRO O=S(=O)(c1ccc(C(F)(F)F)cn1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000480985497 564498908 /nfs/dbraw/zinc/49/89/08/564498908.db2.gz VMQBEVYBQUHTLS-AWEZNQCLSA-N 1 0 377.432 2.739 20 0 GFADRO [NH3+]C[C@@H]1c2ccccc2CCN1S(=O)(=O)c1ccc(Br)c(F)c1 ZINC000570279151 564499006 /nfs/dbraw/zinc/49/90/06/564499006.db2.gz HRJDVVMLIWEKNB-MRXNPFEDSA-N 1 0 399.285 2.835 20 0 GFADRO CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N[C@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000481110101 564504099 /nfs/dbraw/zinc/50/40/99/564504099.db2.gz RCXBXROTGGOBTE-ZIAGYGMSSA-N 1 0 385.961 2.987 20 0 GFADRO CNC(=O)[C@H](CCSC)[NH2+][C@H](C)Cc1ccc(F)cc1Br ZINC000570429237 564505511 /nfs/dbraw/zinc/50/55/11/564505511.db2.gz KFMXSPLACZBTRC-YGRLFVJLSA-N 1 0 377.323 2.977 20 0 GFADRO CSc1cc(NCc2cccnc2N2CC[NH+](C)CC2)nc(SC)n1 ZINC000516584242 564506123 /nfs/dbraw/zinc/50/61/23/564506123.db2.gz SOUPEZZOGXVLQY-UHFFFAOYSA-N 1 0 376.555 2.679 20 0 GFADRO Cc1ncsc1C[NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000570508688 564508873 /nfs/dbraw/zinc/50/88/73/564508873.db2.gz GPNYQRASHKTMOP-GFCCVEGCSA-N 1 0 375.263 2.883 20 0 GFADRO C[C@H](c1ccccc1)[C@@H](O)C[NH2+]CCNC(=O)c1ccc(Br)cc1 ZINC000570509237 564508900 /nfs/dbraw/zinc/50/89/00/564508900.db2.gz VCDWNIRZMADKQZ-KDOFPFPSSA-N 1 0 391.309 2.933 20 0 GFADRO C[C@H]([NH2+]C[C@@H]1CCN(CC(F)(F)F)C1)c1cccc(NS(C)(=O)=O)c1 ZINC000481321672 564510297 /nfs/dbraw/zinc/51/02/97/564510297.db2.gz LBWGVJVYTHUKPU-STQMWFEESA-N 1 0 379.448 2.593 20 0 GFADRO CC(=O)Nc1cccc(C[NH2+]C[C@H](O)COc2cccc(Br)c2)c1 ZINC000516761372 564510843 /nfs/dbraw/zinc/51/08/43/564510843.db2.gz BBTMEMAWLWKINI-KRWDZBQOSA-N 1 0 393.281 2.937 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)C1=Cc2cc(Br)ccc2OC1 ZINC000481355798 564510816 /nfs/dbraw/zinc/51/08/16/564510816.db2.gz WXFALXALIKXDRC-CVEARBPZSA-N 1 0 377.282 2.968 20 0 GFADRO C[C@@H](CN1CCCCC1)[NH2+]C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000570675712 564515869 /nfs/dbraw/zinc/51/58/69/564515869.db2.gz SQEFDRLACPVYSG-BBRMVZONSA-N 1 0 389.309 2.792 20 0 GFADRO COC[C@H](CNC(=O)NC[C@@]1([NH+](C)C)CCSC1)c1ccc(Cl)cc1 ZINC000454596236 564516082 /nfs/dbraw/zinc/51/60/82/564516082.db2.gz FFOWWBHXFCSUKH-YJBOKZPZSA-N 1 0 385.961 2.807 20 0 GFADRO Cc1nc(CNC(=O)NC[C@H](C)C[NH+]2CCCC2)sc1Br ZINC000454625976 564517144 /nfs/dbraw/zinc/51/71/44/564517144.db2.gz SHMVLKUUMGCKPJ-JTQLQIEISA-N 1 0 375.336 2.745 20 0 GFADRO [NH3+][C@H]1CCCC[C@H]1CC(=O)NCc1cc(Br)c2c(c1)OCCO2 ZINC000516924250 564517213 /nfs/dbraw/zinc/51/72/13/564517213.db2.gz IOMCJADMXRKKAR-JSGCOSHPSA-N 1 0 383.286 2.744 20 0 GFADRO Cc1nc(CNC(=O)NC[C@@H](C)C[NH+]2CCCC2)sc1Br ZINC000454625978 564517326 /nfs/dbraw/zinc/51/73/26/564517326.db2.gz SHMVLKUUMGCKPJ-SNVBAGLBSA-N 1 0 375.336 2.745 20 0 GFADRO CC[C@H]([NH2+][C@@H]1CN(C2CC2)C[C@H]1C)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000481665784 564518786 /nfs/dbraw/zinc/51/87/86/564518786.db2.gz DJNPDPTZQCEIOI-OAUYIBNBSA-N 1 0 385.961 2.772 20 0 GFADRO C[C@H]([NH2+]C1CC1)C(=O)N1CCC(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000516967732 564518834 /nfs/dbraw/zinc/51/88/34/564518834.db2.gz XTLXGOIORKUPPG-LBPRGKRZSA-N 1 0 394.313 2.767 20 0 GFADRO C[C@@H](CNC(=O)NC1CCN(Cc2ccc(Br)cc2)CC1)[NH+](C)C ZINC000454674917 564518884 /nfs/dbraw/zinc/51/88/84/564518884.db2.gz KSLMRODXJWSXDX-AWEZNQCLSA-N 1 0 397.361 2.663 20 0 GFADRO C[N@@H+]1CC[C@]2(CCN(C(=O)Nc3nnc(-c4cccc(Cl)c4)s3)C2)C1 ZINC000570775136 564520538 /nfs/dbraw/zinc/52/05/38/564520538.db2.gz GCRPBQWFSBUXAJ-KRWDZBQOSA-N 1 0 377.901 3.418 20 0 GFADRO CS[C@@H]1CN(C(=O)c2cc(C)n(-c3ccc(Cl)cc3)n2)C[C@H]1[NH+](C)C ZINC000481724708 564520925 /nfs/dbraw/zinc/52/09/25/564520925.db2.gz NDOYRQGADLYKHE-IAGOWNOFSA-N 1 0 378.929 2.952 20 0 GFADRO CNS(=O)(=O)CCC[NH2+][C@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000481749388 564521179 /nfs/dbraw/zinc/52/11/79/564521179.db2.gz NASGANYKUAFXLB-AWEZNQCLSA-N 1 0 379.295 2.568 20 0 GFADRO COCC[N@@H+]1CC[C@@H](NC(=O)[C@H](C)Cc2ccc(F)c(Br)c2)C1 ZINC000481751792 564521609 /nfs/dbraw/zinc/52/16/09/564521609.db2.gz BJSQHWUVVUFZRV-TZMCWYRMSA-N 1 0 387.293 2.604 20 0 GFADRO COc1cc(Br)ccc1CCCNC(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000454767658 564521857 /nfs/dbraw/zinc/52/18/57/564521857.db2.gz AQAJFCUIFRJZBK-GOEBONIOSA-N 1 0 396.329 2.736 20 0 GFADRO Cc1nc(Cc2ccccc2)sc1[C@@H](C)[NH2+][C@@H]1CCN(S(C)(=O)=O)C1 ZINC000517035855 564522817 /nfs/dbraw/zinc/52/28/17/564522817.db2.gz QVDBIBMPNIUSCM-CZUORRHYSA-N 1 0 379.551 2.727 20 0 GFADRO COCCN(CC[NH+](C)C)C(=O)[C@@H](C)Cc1ccc(F)c(Br)c1 ZINC000481775111 564523625 /nfs/dbraw/zinc/52/36/25/564523625.db2.gz DKWGKDUKVWZWQL-ZDUSSCGKSA-N 1 0 389.309 2.803 20 0 GFADRO C[NH+](C)[C@]1(CNC(=O)N2CCN(c3ccccc3Cl)CC2)CCSC1 ZINC000481787813 564524211 /nfs/dbraw/zinc/52/42/11/564524211.db2.gz MJSJHNREQRPJOC-SFHVURJKSA-N 1 0 382.961 2.609 20 0 GFADRO O=C(NC[C@@H]1CCCC[N@H+]1CCO)Nc1c(F)cc(Br)cc1F ZINC000454872952 564524875 /nfs/dbraw/zinc/52/48/75/564524875.db2.gz QKEPYWQRLGUCQG-NSHDSACASA-N 1 0 392.244 2.696 20 0 GFADRO C[C@H](NC(=O)Nc1ccn(CC[NH+](C)C)n1)c1ccc(F)c(Br)c1 ZINC000454866924 564525387 /nfs/dbraw/zinc/52/53/87/564525387.db2.gz UAEMTTYNRQDNPX-NSHDSACASA-N 1 0 398.280 3.229 20 0 GFADRO CO[C@@H]1CCN(C(=O)[C@H](C)Sc2ccc(Br)cc2)[C@H](C[NH3+])C1 ZINC000517125197 564525414 /nfs/dbraw/zinc/52/54/14/564525414.db2.gz BZKOBCNEHIODAD-FPMFFAJLSA-N 1 0 387.343 2.894 20 0 GFADRO C[C@@H]([NH2+]CCC1CCS(=O)(=O)CC1)c1ncc(Br)cc1F ZINC000547977939 564526405 /nfs/dbraw/zinc/52/64/05/564526405.db2.gz WONODTQNFHANHI-SNVBAGLBSA-N 1 0 379.295 2.849 20 0 GFADRO CC[NH+]1CCC(CNS(=O)(=O)c2cc(OC)cc(C(F)(F)F)c2)CC1 ZINC000570915441 564527216 /nfs/dbraw/zinc/52/72/16/564527216.db2.gz ACDUAGUWNRNVLK-UHFFFAOYSA-N 1 0 380.432 2.724 20 0 GFADRO CCC[NH+]1CCC(N(C)C(=O)c2ccc(I)cn2)CC1 ZINC000454942405 564529375 /nfs/dbraw/zinc/52/93/75/564529375.db2.gz KVHHTPVNOXBDAO-UHFFFAOYSA-N 1 0 387.265 2.633 20 0 GFADRO CCC[N@H+](CC)C[C@@H](C)NC(=O)C(=O)Nc1ccc(Br)cc1C ZINC000517266801 564530248 /nfs/dbraw/zinc/53/02/48/564530248.db2.gz QPEKXMJSBRTFAS-CYBMUJFWSA-N 1 0 384.318 2.933 20 0 GFADRO CNS(=O)(=O)CC[NH2+][C@H]1CCC(C)(C)c2ccc(Br)cc21 ZINC000481992607 564531778 /nfs/dbraw/zinc/53/17/78/564531778.db2.gz PQNCYYKVVXXBGP-AWEZNQCLSA-N 1 0 375.332 2.700 20 0 GFADRO COCC1(C[NH2+]CCC(=O)Nc2ccc(Br)cc2)CCOCC1 ZINC000517360883 564532171 /nfs/dbraw/zinc/53/21/71/564532171.db2.gz BMPSSXKDJPMWCF-UHFFFAOYSA-N 1 0 385.302 2.811 20 0 GFADRO O[C@@H](COc1cc(F)cc(Br)c1)C[N@@H+]1CCCC[C@H]1C1(O)CC1 ZINC000571024336 564532473 /nfs/dbraw/zinc/53/24/73/564532473.db2.gz PCRHFYAAVFBFNB-ZBFHGGJFSA-N 1 0 388.277 2.707 20 0 GFADRO CC(C)([NH3+])c1nocc1C(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000517390282 564532817 /nfs/dbraw/zinc/53/28/17/564532817.db2.gz FVEHBNVNFZJRBC-UHFFFAOYSA-N 1 0 384.267 2.533 20 0 GFADRO C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[NH+]1CCC(CCO)CC1 ZINC000517383001 564532912 /nfs/dbraw/zinc/53/29/12/564532912.db2.gz FZOSZVAMFGOVGK-CQSZACIVSA-N 1 0 383.330 2.890 20 0 GFADRO CC[N@H+](C)C[C@H](O)CN1CCC(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000517387851 564533098 /nfs/dbraw/zinc/53/30/98/564533098.db2.gz OPXCIZLQPRLTEZ-HNNXBMFYSA-N 1 0 388.339 2.957 20 0 GFADRO C[C@H]1C[C@@H]([NH3+])CCN1C(=O)c1ncc(Br)cc1Br ZINC000571042326 564533282 /nfs/dbraw/zinc/53/32/82/564533282.db2.gz YMOZAKTZXAFCKR-CBAPKCEASA-N 1 0 377.080 2.558 20 0 GFADRO O[C@H](C[NH2+][C@H]1CCO[C@H]1C1CC1)COc1ccc(Cl)cc1Br ZINC000571115196 564536484 /nfs/dbraw/zinc/53/64/84/564536484.db2.gz XVRIJUTXXOFDMT-INWMFGNUSA-N 1 0 390.705 2.999 20 0 GFADRO C[C@H](CNC(=O)c1ccc(I)cc1F)[NH+]1CCCC1 ZINC000517677813 564539429 /nfs/dbraw/zinc/53/94/29/564539429.db2.gz RGJQXWXAGPEBEZ-SNVBAGLBSA-N 1 0 376.213 2.644 20 0 GFADRO CC[N@@H+]1CCCC[C@@H]1CNS(=O)(=O)c1cc(Br)ccc1F ZINC000517709416 564540468 /nfs/dbraw/zinc/54/04/68/564540468.db2.gz OMDYIFRHZXEIQR-GFCCVEGCSA-N 1 0 379.295 2.741 20 0 GFADRO CC[NH+](CC)CCS(=O)(=O)N1CCO[C@H](c2ccc(F)cc2Cl)C1 ZINC000571248499 564543044 /nfs/dbraw/zinc/54/30/44/564543044.db2.gz UKLBNSHFIUXNLD-INIZCTEOSA-N 1 0 378.897 2.524 20 0 GFADRO O=C(NC[C@H]1CCN(c2cccc(Br)c2)C1)NC[C@H]1CCC[NH2+]C1 ZINC000517899521 564543325 /nfs/dbraw/zinc/54/33/25/564543325.db2.gz UKYZGDNSYICHDE-LSDHHAIUSA-N 1 0 395.345 2.574 20 0 GFADRO C[NH+]1CCN(CCOc2c(Br)cccc2Br)CC1 ZINC000482628260 564546798 /nfs/dbraw/zinc/54/67/98/564546798.db2.gz JNTWJIVNYSQFQR-UHFFFAOYSA-N 1 0 378.108 2.838 20 0 GFADRO O=C(NCCC[C@H]1CCC[NH2+]1)[C@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1 ZINC000518167767 564547620 /nfs/dbraw/zinc/54/76/20/564547620.db2.gz DSZPAXJAHMMWSY-SWLSCSKDSA-N 1 0 384.307 2.995 20 0 GFADRO O=C(NCCC[C@@H]1CCC[NH2+]1)[C@@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1 ZINC000518167764 564547918 /nfs/dbraw/zinc/54/79/18/564547918.db2.gz DSZPAXJAHMMWSY-DOMZBBRYSA-N 1 0 384.307 2.995 20 0 GFADRO CC[C@H]1C[N@H+](C)CCN1C(=O)Nc1cccc(F)c1I ZINC000571377636 564548338 /nfs/dbraw/zinc/54/83/38/564548338.db2.gz UNXQELGMDOJBMQ-JTQLQIEISA-N 1 0 391.228 2.988 20 0 GFADRO CCOc1c(Br)cc(C[NH2+][C@H]2CCN(CCOC)C2)cc1OC ZINC000518286756 564549541 /nfs/dbraw/zinc/54/95/41/564549541.db2.gz OFFXGJJUIFDLSC-AWEZNQCLSA-N 1 0 387.318 2.667 20 0 GFADRO Cc1ccc(O[C@H](C)C(=O)N[C@@H]2C[NH2+]CCC2(F)F)c(Br)c1 ZINC000571402044 564550033 /nfs/dbraw/zinc/55/00/33/564550033.db2.gz ARDNSZAUUJZIJD-ZWNOBZJWSA-N 1 0 377.229 2.638 20 0 GFADRO O=S(=O)(c1cc(Cl)ccc1OC(F)F)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000518375271 564551234 /nfs/dbraw/zinc/55/12/34/564551234.db2.gz OYMNLSOGHVJJNH-OAHLLOKOSA-N 1 0 380.844 2.706 20 0 GFADRO COCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](Cc2cc(F)cc(Br)c2)C1 ZINC000482838769 564551492 /nfs/dbraw/zinc/55/14/92/564551492.db2.gz SZLPYFXJMJLVDL-GXTWGEPZSA-N 1 0 387.293 2.951 20 0 GFADRO O=S1(=O)CC[C@@H]([NH2+]CCc2ccccn2)c2cc(Br)ccc21 ZINC000548490324 564553463 /nfs/dbraw/zinc/55/34/63/564553463.db2.gz FSQXJQXWBAEIMB-OAHLLOKOSA-N 1 0 381.295 2.895 20 0 GFADRO COCCN(Cc1sccc1Br)C(=O)C1CC[NH+](C)CC1 ZINC000482948768 564553496 /nfs/dbraw/zinc/55/34/96/564553496.db2.gz RUXDEOVQZKFEOC-UHFFFAOYSA-N 1 0 375.332 2.827 20 0 GFADRO CC[NH+](CC)CCCNC(=O)C1CCN(c2nnc(C(F)F)s2)CC1 ZINC000571510529 564554762 /nfs/dbraw/zinc/55/47/62/564554762.db2.gz AIPMBVJKTCYEGQ-UHFFFAOYSA-N 1 0 375.489 2.540 20 0 GFADRO COc1cc(Br)ccc1CCCNC(=O)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000571519518 564554799 /nfs/dbraw/zinc/55/47/99/564554799.db2.gz LCUINOQHHZRVKU-RDTXWAMCSA-N 1 0 381.314 2.896 20 0 GFADRO [NH3+]CCC1CCN(C(=O)C(=O)Nc2ccc(C(F)(F)F)cc2Cl)CC1 ZINC000518548550 564556003 /nfs/dbraw/zinc/55/60/03/564556003.db2.gz FRTAJJZFVCCMPK-UHFFFAOYSA-N 1 0 377.794 2.885 20 0 GFADRO CSc1ccc(OCC[N@@H+]2CCC[C@H](CNS(=O)(=O)C3CC3)C2)cc1 ZINC000518607480 564557614 /nfs/dbraw/zinc/55/76/14/564557614.db2.gz CKMFOEVYRVWIFO-OAHLLOKOSA-N 1 0 384.567 2.581 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)Cc2ncc(I)s2)[C@H](C)C1 ZINC000518617438 564557762 /nfs/dbraw/zinc/55/77/62/564557762.db2.gz PBGWGAQSGOUHDS-MNOVXSKESA-N 1 0 379.311 2.910 20 0 GFADRO O=C(NCCNc1cc[nH+]cc1)N[C@@H]1CSc2ccc(Br)cc21 ZINC000571592698 564557817 /nfs/dbraw/zinc/55/78/17/564557817.db2.gz ZNEWCSBRHOIPIA-CQSZACIVSA-N 1 0 393.310 2.824 20 0 GFADRO CCCC[C@](C)([NH2+]CC(=O)N1CCNC1=O)c1cccc(Br)c1 ZINC000483063065 564557911 /nfs/dbraw/zinc/55/79/11/564557911.db2.gz XGUCMZOWLURTKF-KRWDZBQOSA-N 1 0 382.302 2.996 20 0 GFADRO CC[N@@H+](CC(=O)NCC(=O)Nc1ccccc1Br)CC1CCC1 ZINC000483118874 564558532 /nfs/dbraw/zinc/55/85/32/564558532.db2.gz IUCVZMMIKPFFJY-UHFFFAOYSA-N 1 0 382.302 2.626 20 0 GFADRO C[N@H+](CCCCNC(=O)N1CCC(n2cc(Br)cn2)CC1)C1CC1 ZINC000455606214 564559616 /nfs/dbraw/zinc/55/96/16/564559616.db2.gz HPUXCWJZVYIGHZ-UHFFFAOYSA-N 1 0 398.349 2.867 20 0 GFADRO C[N@H+](CCNC(=O)c1[nH]nc(C2CC2)c1Br)Cc1ccccc1 ZINC000518900342 564564509 /nfs/dbraw/zinc/56/45/09/564564509.db2.gz ZVCLWDNFGMWYPP-UHFFFAOYSA-N 1 0 377.286 2.911 20 0 GFADRO CC[C@@H](Cc1ccccc1Br)N(C)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000518942753 564565991 /nfs/dbraw/zinc/56/59/91/564565991.db2.gz MGQKHVULSKWKQC-JKSUJKDBSA-N 1 0 398.345 2.790 20 0 GFADRO CS[C@@H]1CN(C(=O)Cc2csc(-c3ccoc3)n2)C[C@H]1[NH+]1CCCC1 ZINC000483395128 564566282 /nfs/dbraw/zinc/56/62/82/564566282.db2.gz OOCKSOPEYAPJMN-HZPDHXFCSA-N 1 0 377.535 2.984 20 0 GFADRO C[NH2+]CCC1CCN(C(=O)c2cc(Br)c(OC)c(OC)c2)CC1 ZINC000571799342 564567243 /nfs/dbraw/zinc/56/72/43/564567243.db2.gz JHTNZZFFKBOTRS-UHFFFAOYSA-N 1 0 385.302 2.928 20 0 GFADRO CC(C)[N@@H+]1CCc2nc(CN3CCSC[C@H]3c3cnn(C)c3)sc2C1 ZINC000483416563 564567205 /nfs/dbraw/zinc/56/72/05/564567205.db2.gz COLUFNJZBQRRTF-INIZCTEOSA-N 1 0 377.583 2.933 20 0 GFADRO CNC(=O)C[C@H]([NH2+]CC(=O)N(C)Cc1ccc(Cl)s1)c1ccccc1 ZINC000483401114 564567238 /nfs/dbraw/zinc/56/72/38/564567238.db2.gz FHMSELGAIBQDTI-HNNXBMFYSA-N 1 0 379.913 2.827 20 0 GFADRO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)Nc1cccc(Br)c1 ZINC000519001042 564567700 /nfs/dbraw/zinc/56/77/00/564567700.db2.gz NSTTZGRTJIREEY-ZDUSSCGKSA-N 1 0 382.302 2.624 20 0 GFADRO O=S1(=O)CC[C@H]([NH2+][C@@H]2CCC[C@H]2CCO)c2cc(Br)ccc21 ZINC000548636878 564567938 /nfs/dbraw/zinc/56/79/38/564567938.db2.gz WVLVVJOOOIUXBA-GLQYFDAESA-N 1 0 388.327 2.808 20 0 GFADRO COc1ncccc1CC[NH2+]Cc1cn(-c2ccccc2Br)nn1 ZINC000519036595 564568215 /nfs/dbraw/zinc/56/82/15/564568215.db2.gz BRKCGTDKZOZXKE-UHFFFAOYSA-N 1 0 388.269 2.766 20 0 GFADRO CC[NH+](CC)C[C@@H](C)NC(=O)[C@@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000519062261 564568602 /nfs/dbraw/zinc/56/86/02/564568602.db2.gz FOPRMHQZSHHLFY-ZIAGYGMSSA-N 1 0 396.329 2.649 20 0 GFADRO CO[C@@H]1CCCC[C@H]1[NH2+]CCS(=O)(=O)c1ccc(Br)cc1 ZINC000483732346 564573614 /nfs/dbraw/zinc/57/36/14/564573614.db2.gz USARYWRHEIEQJF-HUUCEWRRSA-N 1 0 376.316 2.770 20 0 GFADRO COCCC[N@H+](C)CCN[C@@H](C)c1ccccc1I ZINC000483748749 564573922 /nfs/dbraw/zinc/57/39/22/564573922.db2.gz WIVFIUWWLDZHNS-ZDUSSCGKSA-N 1 0 376.282 2.910 20 0 GFADRO CC(C)(O)C[NH+]1CCN(C(=O)CCOc2ccc(Cl)cc2Cl)CC1 ZINC000519284183 564574148 /nfs/dbraw/zinc/57/41/48/564574148.db2.gz GWDVHUMJHIJGSW-UHFFFAOYSA-N 1 0 375.296 2.677 20 0 GFADRO C[C@H](NC(=O)N1CCC[N@@H+](C(C)(C)C)CC1)c1ncc(Br)cn1 ZINC000571976974 564575356 /nfs/dbraw/zinc/57/53/56/564575356.db2.gz FSNFNKCTFOIUNZ-LBPRGKRZSA-N 1 0 384.322 2.816 20 0 GFADRO C[C@H](NC(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1)c1ccc(Br)s1 ZINC000571992335 564576358 /nfs/dbraw/zinc/57/63/58/564576358.db2.gz KITYTJFCKOJQTE-VHSXEESVSA-N 1 0 384.303 2.518 20 0 GFADRO O=C(CC[NH2+]C[C@@H](O)COc1ccccc1)Nc1ccc(Br)cc1 ZINC000548826268 564576816 /nfs/dbraw/zinc/57/68/16/564576816.db2.gz IITVWWCTUOXIER-MRXNPFEDSA-N 1 0 393.281 2.807 20 0 GFADRO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)Nc1cc(N(C)C)c(Br)cn1 ZINC000455867037 564576887 /nfs/dbraw/zinc/57/68/87/564576887.db2.gz ONKJJXOUNLUPAK-CQSZACIVSA-N 1 0 384.322 2.714 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)N[C@H]1CCOc2c(Br)cccc21 ZINC000548822838 564576901 /nfs/dbraw/zinc/57/69/01/564576901.db2.gz AQESGRZMSNALAJ-ABAIWWIYSA-N 1 0 380.286 2.809 20 0 GFADRO C[C@@]1(NC(=O)c2c[nH]c(=O)c(Br)c2)CC[N@H+](Cc2ccccc2)C1 ZINC000572010504 564577375 /nfs/dbraw/zinc/57/73/75/564577375.db2.gz YDOIFHPDKHKFTE-GOSISDBHSA-N 1 0 390.281 2.944 20 0 GFADRO Cc1nc2cc(Cl)c(NC(=O)C(=O)N[C@@H]3CCC[N@H+](C)[C@H]3C)cc2s1 ZINC000483962872 564578898 /nfs/dbraw/zinc/57/88/98/564578898.db2.gz RTTRFBFKEBKHBY-JOYOIKCWSA-N 1 0 380.901 2.796 20 0 GFADRO CCN(CC)S(=O)(=O)c1cc(NC(=O)C[N@@H+]2CC[C@H](C)C2)ccc1Cl ZINC000548901653 564580280 /nfs/dbraw/zinc/58/02/80/564580280.db2.gz DSILQHNTCMWHPS-ZDUSSCGKSA-N 1 0 387.933 2.651 20 0 GFADRO C[C@@H]1CC[N@H+](CC(=O)NC[C@H]2CCN(c3cccc(Br)c3)C2)C1 ZINC000519602728 564583819 /nfs/dbraw/zinc/58/38/19/564583819.db2.gz GREIDJLBJKOPCB-HUUCEWRRSA-N 1 0 380.330 2.733 20 0 GFADRO CC(C)[C@@H](CO)[C@H]([NH2+]Cc1cc(=O)n2cc(Br)ccc2n1)C(C)C ZINC000519626070 564584707 /nfs/dbraw/zinc/58/47/07/564584707.db2.gz ZDVBZDGCYLKZMF-CRAIPNDOSA-N 1 0 396.329 2.836 20 0 GFADRO O=C(NCCOc1cccc(Br)c1)[C@H]1C[NH2+]Cc2ccccc21 ZINC000519650757 564585477 /nfs/dbraw/zinc/58/54/77/564585477.db2.gz ZAPOFESDQHZJDG-KRWDZBQOSA-N 1 0 375.266 2.831 20 0 GFADRO C[N@@H+](Cc1cc(Br)ccc1Cl)C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000549170686 564586910 /nfs/dbraw/zinc/58/69/10/564586910.db2.gz BTSLIIADAMTIPJ-NSHDSACASA-N 1 0 395.750 2.816 20 0 GFADRO CC(C)(C)c1nc2ccc(S(=O)(=O)N3CC[C@@H]4C[NH2+]C[C@H]4C3)cc2s1 ZINC000519775748 564590099 /nfs/dbraw/zinc/59/00/99/564590099.db2.gz USNLJCBZUYUYMJ-OLZOCXBDSA-N 1 0 379.551 2.824 20 0 GFADRO Fc1ccc(C[NH2+]CCOC[C@H]2CCCO2)c(I)c1 ZINC000519812868 564592239 /nfs/dbraw/zinc/59/22/39/564592239.db2.gz NJACPRHKFZJXHP-CYBMUJFWSA-N 1 0 379.213 2.716 20 0 GFADRO CCO[C@@H]1COCC[C@H]1[NH2+]CC(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000484625432 564592842 /nfs/dbraw/zinc/59/28/42/564592842.db2.gz VZDZUDJZRZHDIL-TZMCWYRMSA-N 1 0 378.803 2.664 20 0 GFADRO COc1cc(C)c(Br)cc1C(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000572430254 564594506 /nfs/dbraw/zinc/59/45/06/564594506.db2.gz JDOCIWFKLCQELF-CQSZACIVSA-N 1 0 399.329 2.589 20 0 GFADRO CC(C)[C@@H]1C[C@H]([NH2+]CCNS(=O)(=O)c2ccc(F)cc2Cl)CS1 ZINC000549422904 564594901 /nfs/dbraw/zinc/59/49/01/564594901.db2.gz SCEPFCDKMCVDPD-JSGCOSHPSA-N 1 0 380.938 2.877 20 0 GFADRO CC[C@H]1C[N@H+](CC)CCN1C(=O)c1csc(I)c1 ZINC000456340337 564601556 /nfs/dbraw/zinc/60/15/56/564601556.db2.gz DHPYRFMLDSZGFO-NSHDSACASA-N 1 0 378.279 2.909 20 0 GFADRO C[C@@H]1C[N@H+](C)CCN1c1ccc(Br)cc1NC(=O)c1cn[nH]c1 ZINC000456365205 564602349 /nfs/dbraw/zinc/60/23/49/564602349.db2.gz HMYUVXDIYQNOLP-LLVKDONJSA-N 1 0 378.274 2.565 20 0 GFADRO O=C(NCCOc1cccc(Br)c1)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000572617505 564602663 /nfs/dbraw/zinc/60/26/63/564602663.db2.gz VJZHPINRYFEOSX-GJZGRUSLSA-N 1 0 396.329 2.859 20 0 GFADRO CC[NH+](CC)CC[C@H](CO)NC(=O)C1(Cc2ccccc2Br)CC1 ZINC000520427049 564604571 /nfs/dbraw/zinc/60/45/71/564604571.db2.gz ZHSRPKFSPUYCRA-MRXNPFEDSA-N 1 0 397.357 2.981 20 0 GFADRO O=C(NCCc1nc(C(F)(F)F)cs1)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000572705459 564606335 /nfs/dbraw/zinc/60/63/35/564606335.db2.gz JFJPVHVNDYTWGL-NWDGAFQWSA-N 1 0 376.448 2.736 20 0 GFADRO O=C(N[C@H]1COc2cc(F)c(Br)cc21)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000520547938 564607083 /nfs/dbraw/zinc/60/70/83/564607083.db2.gz YABIYFPLJJYKRU-RBZYPMLTSA-N 1 0 384.249 2.558 20 0 GFADRO CC(C)(CNC(=O)C(=O)NCc1ccc(Cl)cc1Cl)C[NH+]1CCCC1 ZINC000549919525 564608852 /nfs/dbraw/zinc/60/88/52/564608852.db2.gz XMGYPUUKGIAHHD-UHFFFAOYSA-N 1 0 386.323 2.848 20 0 GFADRO O=S(=O)(Cc1ccc(Cl)cc1Br)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000572761932 564609203 /nfs/dbraw/zinc/60/92/03/564609203.db2.gz NADBSZZGINGDGS-CQSZACIVSA-N 1 0 393.734 2.618 20 0 GFADRO CNC(=O)NC(=O)CC[N@@H+]1CCCC[C@H]1Cc1ccccc1Br ZINC000520618996 564609510 /nfs/dbraw/zinc/60/95/10/564609510.db2.gz FGKTVMSWVYBNMT-AWEZNQCLSA-N 1 0 382.302 2.692 20 0 GFADRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cnc3ccc(Br)cn23)[C@H]1n1cccn1 ZINC000549942474 564611059 /nfs/dbraw/zinc/61/10/59/564611059.db2.gz WOPAMIAYQAPZOW-BFYDXBDKSA-N 1 0 390.285 2.802 20 0 GFADRO Cc1c2cc(Cl)ccc2sc1CNC(=O)C(=O)NC1CC[NH+](C)CC1 ZINC000549980263 564611978 /nfs/dbraw/zinc/61/19/78/564611978.db2.gz RYCVDTGFFCGRRO-UHFFFAOYSA-N 1 0 379.913 2.690 20 0 GFADRO CCC[C@H](C(=O)NC[C@H](CO)Cc1cc(Br)ccc1F)[NH+](C)C ZINC000456497208 564613694 /nfs/dbraw/zinc/61/36/94/564613694.db2.gz YQCPNVKLOYJMEW-MLGOLLRUSA-N 1 0 389.309 2.586 20 0 GFADRO CC[N@H+](CC(=O)NC[C@@H](CO)Cc1ccc(C)c(Br)c1)C1CC1 ZINC000456504825 564614089 /nfs/dbraw/zinc/61/40/89/564614089.db2.gz USNQGRWXABVNFQ-HNNXBMFYSA-N 1 0 383.330 2.509 20 0 GFADRO COc1nc(C)c(Br)cc1C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000485470536 564616384 /nfs/dbraw/zinc/61/63/84/564616384.db2.gz XCJQTCSZGBHLSF-CYBMUJFWSA-N 1 0 382.302 2.862 20 0 GFADRO CC[C@@H](C)[NH+]1CCN(C(=O)CCNC(=O)c2ccc(Br)cc2)CC1 ZINC000456546088 564617571 /nfs/dbraw/zinc/61/75/71/564617571.db2.gz IEYHZLIGGJJJMM-CQSZACIVSA-N 1 0 396.329 2.512 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]1C1CCN(Cc2ccc(I)cc2)CC1 ZINC000573001871 564619236 /nfs/dbraw/zinc/61/92/36/564619236.db2.gz JHBXWLNPSFTWQK-CVEARBPZSA-N 1 0 386.277 2.619 20 0 GFADRO CCN(CC)S(=O)(=O)c1cc(NC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)ccc1Cl ZINC000485546412 564619479 /nfs/dbraw/zinc/61/94/79/564619479.db2.gz NVBMLHVXNKNACS-JSGCOSHPSA-N 1 0 387.933 2.507 20 0 GFADRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cn3ccc(Br)cc3n2)[C@@H]1n1cccn1 ZINC000550324697 564620544 /nfs/dbraw/zinc/62/05/44/564620544.db2.gz IVIXIHCKANQOPQ-INMHGKMJSA-N 1 0 390.285 2.802 20 0 GFADRO COC(=O)[C@H]1CCCC[C@]1(C)[NH2+]Cc1ncc(I)s1 ZINC000573045258 564620925 /nfs/dbraw/zinc/62/09/25/564620925.db2.gz IAOMBZXNSHUIHD-RNCFNFMXSA-N 1 0 394.278 2.959 20 0 GFADRO CC(C)(CNC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccc(Br)cc1Cl ZINC000573074758 564621650 /nfs/dbraw/zinc/62/16/50/564621650.db2.gz ATHTZBZKICWKMG-YABSGUDNSA-N 1 0 386.721 2.897 20 0 GFADRO Cc1cscc1CNC(=O)C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000550407211 564623221 /nfs/dbraw/zinc/62/32/21/564623221.db2.gz WSGGUEDMNRCWOS-OAHLLOKOSA-N 1 0 377.535 2.688 20 0 GFADRO O=C(NCc1cc(Cl)ccc1Br)N[C@H]1C[NH2+]CCC1(F)F ZINC000573117712 564623746 /nfs/dbraw/zinc/62/37/46/564623746.db2.gz KCDIHQOAPIUSKT-NSHDSACASA-N 1 0 382.636 2.899 20 0 GFADRO C[NH+](C)CC1(CNC(=O)C(=O)NCc2cccc(Cl)c2Cl)CCCC1 ZINC000550420291 564624422 /nfs/dbraw/zinc/62/44/22/564624422.db2.gz YNWJEAPCZFSVJB-UHFFFAOYSA-N 1 0 386.323 2.848 20 0 GFADRO O=C(NCCN1C[C@H]2CC[C@@H](C1)O2)c1cc2cc(Br)ccc2o1 ZINC000573181021 564626283 /nfs/dbraw/zinc/62/62/83/564626283.db2.gz SZIHSOFZYKEQME-OKILXGFUSA-N 1 0 379.254 2.788 20 0 GFADRO C[C@@H](c1ccc(N2CCCS2(=O)=O)cc1)[N@H+](C)CCOCC(F)(F)F ZINC000485812183 564626292 /nfs/dbraw/zinc/62/62/92/564626292.db2.gz BILPFMLTYNZKLY-ZDUSSCGKSA-N 1 0 380.432 2.798 20 0 GFADRO C[C@@H]1CN(C[C@H](O)C[NH2+]CCc2nc3cc(Cl)ccc3s2)C[C@H](C)O1 ZINC000521491385 564628276 /nfs/dbraw/zinc/62/82/76/564628276.db2.gz QXGQIHQNZNEYDP-VNHYZAJKSA-N 1 0 383.945 2.552 20 0 GFADRO CCC[C@@H](C(=O)NC[C@H](CO)Cc1ccc(F)c(Br)c1)[NH+](C)C ZINC000456718314 564628332 /nfs/dbraw/zinc/62/83/32/564628332.db2.gz MDUZVHUPCGZYQE-CJNGLKHVSA-N 1 0 389.309 2.586 20 0 GFADRO C[C@H](C(=O)NC(C)(C)C)N(C)CC(=O)N(C)Cc1ccccc1Br ZINC000485878500 564628928 /nfs/dbraw/zinc/62/89/28/564628928.db2.gz XBTMFROMBMEJSJ-CYBMUJFWSA-N 1 0 398.345 2.643 20 0 GFADRO COc1cc(C(=O)N2CC[N@H+](C)C[C@@H]2C(C)C)cc(Br)c1OC ZINC000550716897 564629714 /nfs/dbraw/zinc/62/97/14/564629714.db2.gz XGTBTNMRRBLLKQ-CQSZACIVSA-N 1 0 385.302 2.879 20 0 GFADRO CC(C)(C)Oc1nc(N2CC[NH+](C[C@H]3CCOC3)CC2)ncc1Br ZINC000550786451 564630767 /nfs/dbraw/zinc/63/07/67/564630767.db2.gz GGGFWNDFECBUMR-CYBMUJFWSA-N 1 0 399.333 2.575 20 0 GFADRO C[C@H](CNC(=O)C(=O)NCc1cccc(Cl)c1Cl)C[NH+]1CCCCC1 ZINC000550810506 564631740 /nfs/dbraw/zinc/63/17/40/564631740.db2.gz PBCUNEKWTVTRMO-CYBMUJFWSA-N 1 0 386.323 2.848 20 0 GFADRO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NC[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000485927900 564631826 /nfs/dbraw/zinc/63/18/26/564631826.db2.gz ARMQTMNSIFHUJB-JKIFEVAISA-N 1 0 380.330 2.589 20 0 GFADRO CO[C@H]1CCN(C(=O)N[C@H]2C[C@H](c3ccc(Br)cc3)C2)[C@H](C[NH3+])C1 ZINC000573309211 564632948 /nfs/dbraw/zinc/63/29/48/564632948.db2.gz UMRBOMDRZOUBKS-HJWJTTGWSA-N 1 0 396.329 2.843 20 0 GFADRO CC(C)[NH2+]CCCNC(=O)NC[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000573346273 564633841 /nfs/dbraw/zinc/63/38/41/564633841.db2.gz ILSBQPZEPIWNGN-HNNXBMFYSA-N 1 0 397.361 2.963 20 0 GFADRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)CNC(=O)c1cccc(Br)c1 ZINC000521682683 564634062 /nfs/dbraw/zinc/63/40/62/564634062.db2.gz BSXASHIMAHPMQD-OKILXGFUSA-N 1 0 396.329 2.558 20 0 GFADRO CCN(CC)S(=O)(=O)c1ccc(C[NH2+][C@@H](Cn2cccn2)C(C)C)s1 ZINC000550928155 564634650 /nfs/dbraw/zinc/63/46/50/564634650.db2.gz JLQHYEIRECERGW-INIZCTEOSA-N 1 0 384.571 2.790 20 0 GFADRO C[C@H]([NH2+]Cc1ccc(S(C)(=O)=O)s1)c1cccc(N2CCOCC2)c1 ZINC000573382766 564635636 /nfs/dbraw/zinc/63/56/36/564635636.db2.gz VJPARRBSISSPJC-AWEZNQCLSA-N 1 0 380.535 2.839 20 0 GFADRO COc1cc(C(=O)N2[C@@H]3CC[C@H]2CC[N@@H+](C)C3)cc(Br)c1OC ZINC000573385291 564635964 /nfs/dbraw/zinc/63/59/64/564635964.db2.gz UEXCRVKESDEVRJ-QWHCGFSZSA-N 1 0 383.286 2.775 20 0 GFADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)NCc2c(Cl)cccc2Cl)C1 ZINC000551105197 564638170 /nfs/dbraw/zinc/63/81/70/564638170.db2.gz MFQHYJPRWZUYQJ-ZDUSSCGKSA-N 1 0 386.323 2.800 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)N1CCO[C@@]2(CCSC2)C1)c1ccc(Cl)cc1 ZINC000573485155 564640527 /nfs/dbraw/zinc/64/05/27/564640527.db2.gz ZSCUMRCTLOCCEX-WMZOPIPTSA-N 1 0 383.945 2.860 20 0 GFADRO C[C@@H]1C[C@H]([NH2+]Cc2cc(C(F)(F)F)cc(S(C)(=O)=O)c2)CN1C1CC1 ZINC000551231527 564643929 /nfs/dbraw/zinc/64/39/29/564643929.db2.gz OWSKNWZOIHXGMA-RISCZKNCSA-N 1 0 376.444 2.824 20 0 GFADRO CC1(C)CCC[N@@H+]1CCNC(=O)Cc1cccc(I)c1 ZINC000457056469 564644955 /nfs/dbraw/zinc/64/49/55/564644955.db2.gz NZVLEFPDOQPIFJ-UHFFFAOYSA-N 1 0 386.277 2.824 20 0 GFADRO CC(C)[N@@H+]1CC[C@H](CNC(=O)c2cc(Br)c3c(c2)OCCO3)C1 ZINC000522167559 564646126 /nfs/dbraw/zinc/64/61/26/564646126.db2.gz PNEDLBPAMJKRIR-GFCCVEGCSA-N 1 0 383.286 2.680 20 0 GFADRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)c2c(F)cccc2I)C1 ZINC000457101316 564646441 /nfs/dbraw/zinc/64/64/41/564646441.db2.gz XYBGGEARYKSNJI-NSHDSACASA-N 1 0 390.240 2.985 20 0 GFADRO C[N@@H+]1C[C@@H]2CCCN(C(=O)Nc3ccc4nccnc4c3Br)[C@@H]2C1 ZINC000573678584 564649456 /nfs/dbraw/zinc/64/94/56/564649456.db2.gz JQBNMSFQVOFMEZ-SMDDNHRTSA-N 1 0 390.285 2.950 20 0 GFADRO OC[C@]1([C@@H]([NH2+]C[C@@H](O)COc2c(Cl)cccc2Cl)C2CC2)CCCO1 ZINC000573692678 564649734 /nfs/dbraw/zinc/64/97/34/564649734.db2.gz PQZRQZQXQFCZLT-BVGQSLNGSA-N 1 0 390.307 2.643 20 0 GFADRO Cc1cc(Br)oc1C(=O)N(CC[NH+](C)C)CC(=O)OC(C)(C)C ZINC000522288201 564650041 /nfs/dbraw/zinc/65/00/41/564650041.db2.gz AWHVPFYFSZFTAE-UHFFFAOYSA-N 1 0 389.290 2.696 20 0 GFADRO C[NH+](C)CCOC1CCN(C(=O)NCc2cccc(Br)c2)CC1 ZINC000522319748 564650100 /nfs/dbraw/zinc/65/01/00/564650100.db2.gz ODBCXHPKNWBWQC-UHFFFAOYSA-N 1 0 384.318 2.701 20 0 GFADRO Cc1cc(Br)cc(NC(=O)C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)c1 ZINC000486390160 564650394 /nfs/dbraw/zinc/65/03/94/564650394.db2.gz YUKOQCGPIPXXHB-INIZCTEOSA-N 1 0 394.313 2.783 20 0 GFADRO Cc1cc(I)cc(NC(=O)c2ccn(CC[NH+](C)C)n2)c1 ZINC000573813821 564654942 /nfs/dbraw/zinc/65/49/42/564654942.db2.gz BCMDORORUMSCAF-UHFFFAOYSA-N 1 0 398.248 2.610 20 0 GFADRO C[N@H+](CC(=O)N1CCC[C@H]1c1ccc(Br)cn1)[C@@H]1CCSC1 ZINC000457320927 564655812 /nfs/dbraw/zinc/65/58/12/564655812.db2.gz AZLAKURZMBFYGH-HIFRSBDPSA-N 1 0 384.343 2.945 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)Nc2nc3ccsc3s2)CC1=O ZINC000522732540 564655896 /nfs/dbraw/zinc/65/58/96/564655896.db2.gz OJCIPWGTCXWTAN-VXGBXAGGSA-N 1 0 378.523 2.629 20 0 GFADRO COc1ccc(C(=O)N2CC[NH+](CC3CCOCC3)CC2)c(Br)c1 ZINC000522886489 564658373 /nfs/dbraw/zinc/65/83/73/564658373.db2.gz SFAFOLIBFTXNDO-UHFFFAOYSA-N 1 0 397.313 2.642 20 0 GFADRO C[N@@H+]1CCC[C@H](CNC(=O)N2CCN(c3cccc(Br)c3)CC2)C1 ZINC000551655721 564658958 /nfs/dbraw/zinc/65/89/58/564658958.db2.gz ZYHSTJCCGSAZIQ-OAHLLOKOSA-N 1 0 395.345 2.623 20 0 GFADRO C[N@@H+]1CCC[C@@H](CCNC(=O)NCC(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000457434966 564661788 /nfs/dbraw/zinc/66/17/88/564661788.db2.gz FNSYFAACCBHYAV-LBPRGKRZSA-N 1 0 387.311 2.963 20 0 GFADRO CC[N@@H+]1CCC[C@@H](NC(=O)c2cnc(Sc3nccn3C)c(Cl)c2)C1 ZINC000523116663 564662175 /nfs/dbraw/zinc/66/21/75/564662175.db2.gz XGTLVUSKOBIGBO-CYBMUJFWSA-N 1 0 379.917 2.834 20 0 GFADRO C[N@@H+]1CC[C@H]2CCN(S(=O)(=O)c3ccc(OC(F)F)c(Cl)c3)[C@@H]2C1 ZINC000486662373 564662439 /nfs/dbraw/zinc/66/24/39/564662439.db2.gz WPKVJUMHAZEERQ-GXFFZTMASA-N 1 0 380.844 2.656 20 0 GFADRO C[C@H]([NH2+]CC1(O)CCS(=O)(=O)CC1)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000551813559 564664102 /nfs/dbraw/zinc/66/41/02/564664102.db2.gz WFBYIBNGXHGFLY-RYUDHWBXSA-N 1 0 396.336 2.679 20 0 GFADRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)c2cc(Br)co2)CC1 ZINC000457519333 564664397 /nfs/dbraw/zinc/66/43/97/564664397.db2.gz YPFVRWWDFTWIJV-ZIAGYGMSSA-N 1 0 384.318 2.673 20 0 GFADRO Cc1nc(-c2cc([C@H](C)[NH2+]CC3(O)CCS(=O)(=O)CC3)cs2)cs1 ZINC000551811522 564664422 /nfs/dbraw/zinc/66/44/22/564664422.db2.gz DRBRTUFNJKYGHI-NSHDSACASA-N 1 0 386.564 2.770 20 0 GFADRO COC(=O)c1cn(CC[NH2+][C@@H]2CCCCc3cc(Br)ccc32)nn1 ZINC000551811052 564664631 /nfs/dbraw/zinc/66/46/31/564664631.db2.gz CHSAONYYPIIVHM-OAHLLOKOSA-N 1 0 393.285 2.885 20 0 GFADRO CN(CCC[NH+](C)C)C(=O)C(=O)Nc1cc(F)c(Br)c(Cl)c1 ZINC000574067716 564667066 /nfs/dbraw/zinc/66/70/66/564667066.db2.gz LOBVZAGPGPNNOO-UHFFFAOYSA-N 1 0 394.672 2.590 20 0 GFADRO CC1CC[NH+](C[C@H]2CCCN(C(=O)NCc3n[nH]cc3Br)C2)CC1 ZINC000523431011 564667339 /nfs/dbraw/zinc/66/73/39/564667339.db2.gz RTFVRKYOPWAHGN-CQSZACIVSA-N 1 0 398.349 2.826 20 0 GFADRO CC[NH+](CC)[C@H](CNC(=O)NCc1n[nH]cc1Br)c1ccco1 ZINC000523429999 564667677 /nfs/dbraw/zinc/66/76/77/564667677.db2.gz LWGMEUSBNZJCBM-CYBMUJFWSA-N 1 0 384.278 2.648 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)[C@@H]2CCc3cc(Br)ccc32)CC12CCOCC2 ZINC000574401387 564672752 /nfs/dbraw/zinc/67/27/52/564672752.db2.gz KOPWWQDAXQETFJ-RHSMWYFYSA-N 1 0 393.325 2.693 20 0 GFADRO COc1cc(Br)ccc1C(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2 ZINC000574444090 564673197 /nfs/dbraw/zinc/67/31/97/564673197.db2.gz UTDQTTKVLYAFEP-LBPRGKRZSA-N 1 0 376.254 2.921 20 0 GFADRO CC[NH+](CC)CC[C@@H](CO)NC(=O)[C@H](C)Oc1ccc(Cl)c(Cl)c1 ZINC000552024012 564673832 /nfs/dbraw/zinc/67/38/32/564673832.db2.gz QBXIHQKIZXLVES-STQMWFEESA-N 1 0 377.312 2.970 20 0 GFADRO CS[C@H]1CN(C(=O)CSc2nccn2C(C)(C)C)C[C@@H]1[NH+]1CCCC1 ZINC000487080796 564674235 /nfs/dbraw/zinc/67/42/35/564674235.db2.gz UPXLKXCZQUGXJR-GJZGRUSLSA-N 1 0 382.599 2.768 20 0 GFADRO Cc1c(Br)cccc1S(=O)(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000487118848 564675962 /nfs/dbraw/zinc/67/59/62/564675962.db2.gz MNHFDOWSVJHMBH-CHWSQXEVSA-N 1 0 375.332 2.909 20 0 GFADRO Brc1csc(-c2noc(-c3cn([C@@H]4CCC[NH2+]C4)nn3)n2)c1 ZINC000574511360 564677703 /nfs/dbraw/zinc/67/77/03/564677703.db2.gz JUOKOCZFLCHNEP-SECBINFHSA-N 1 0 381.259 2.744 20 0 GFADRO C[NH+](C)CC1CCC(NC(=O)c2cn3ccc(Br)cc3n2)CC1 ZINC000552118179 564678024 /nfs/dbraw/zinc/67/80/24/564678024.db2.gz ZDMHSPWXLNCIDD-UHFFFAOYSA-N 1 0 379.302 2.947 20 0 GFADRO CC[C@H]1CN(CC[NH2+]Cc2c(Br)cc(OC)cc2OC)CCO1 ZINC000487176913 564678070 /nfs/dbraw/zinc/67/80/70/564678070.db2.gz YXQATXVUQWAIIT-ZDUSSCGKSA-N 1 0 387.318 2.667 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)CCCC[NH+](C)C ZINC000552118449 564678628 /nfs/dbraw/zinc/67/86/28/564678628.db2.gz IQDGMDYCYYKCAT-UHFFFAOYSA-N 1 0 384.318 2.934 20 0 GFADRO COC(=O)c1cc(Br)cc(C(=O)N[C@H]2CCC[N@@H+](C(C)C)C2)c1 ZINC000487200347 564678958 /nfs/dbraw/zinc/67/89/58/564678958.db2.gz YSMJQWSWRZMSQS-HNNXBMFYSA-N 1 0 383.286 2.838 20 0 GFADRO Cc1ccc(CCC[NH2+]C[C@@H]2CCN(S(=O)(=O)c3cccs3)C2)cn1 ZINC000574558339 564679057 /nfs/dbraw/zinc/67/90/57/564679057.db2.gz DHJYSCOZWCHMRL-KRWDZBQOSA-N 1 0 379.551 2.685 20 0 GFADRO O=S(=O)(NCCC[NH2+]Cc1cccnc1)C1CCC(C(F)(F)F)CC1 ZINC000574575146 564679774 /nfs/dbraw/zinc/67/97/74/564679774.db2.gz ZWSVTKDWWCSJOI-UHFFFAOYSA-N 1 0 379.448 2.602 20 0 GFADRO COc1ccsc1S(=O)(=O)N1CC[C@H]([N@H+](C)CCc2ccccc2)C1 ZINC000574652643 564683711 /nfs/dbraw/zinc/68/37/11/564683711.db2.gz UHEUPPCONWGRQN-INIZCTEOSA-N 1 0 380.535 2.694 20 0 GFADRO C[C@H]1CC[N@H+](CCNC(=O)C2(c3ccc(Br)cc3)CCOCC2)C1 ZINC000524720309 564686682 /nfs/dbraw/zinc/68/66/82/564686682.db2.gz JBQLKTRIRUODGP-HNNXBMFYSA-N 1 0 395.341 2.955 20 0 GFADRO CC[NH+](CC)[C@H](CNC(=O)NCc1nn(C)cc1Br)c1ccco1 ZINC000458083747 564686738 /nfs/dbraw/zinc/68/67/38/564686738.db2.gz YDDRWIJSCUOJJB-CQSZACIVSA-N 1 0 398.305 2.658 20 0 GFADRO C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCc1ccc(Cl)cc1I ZINC000487510524 564689507 /nfs/dbraw/zinc/68/95/07/564689507.db2.gz DKYKWMSRQVHFSE-JOYOIKCWSA-N 1 0 392.668 2.759 20 0 GFADRO CS(=O)(=O)[C@@H]1CCC[C@@H]([NH2+]CCc2cnc(SC3CCCC3)nc2)C1 ZINC000552406786 564690048 /nfs/dbraw/zinc/69/00/48/564690048.db2.gz OZWMYHDKECRGOY-NVXWUHKLSA-N 1 0 383.583 2.999 20 0 GFADRO CC(C)[N@@H+]1CCCN(C(=O)Nc2ccc(NS(C)(=O)=O)c(Cl)c2)CC1 ZINC000524905766 564690379 /nfs/dbraw/zinc/69/03/79/564690379.db2.gz DQVUBIXYWLKGKS-UHFFFAOYSA-N 1 0 388.921 2.660 20 0 GFADRO Cc1csc(C(=O)N2[C@@H]3CC[C@H]2CC[N@@H+](C)C3)c1I ZINC000552417867 564690773 /nfs/dbraw/zinc/69/07/73/564690773.db2.gz ALBATZHAJJMGRH-WDEREUQCSA-N 1 0 390.290 2.970 20 0 GFADRO CC1=CC[N@H+](CCNC(=O)N(CCO)Cc2cccc(Br)c2)CC1 ZINC000487559306 564691190 /nfs/dbraw/zinc/69/11/90/564691190.db2.gz KTMWQYFYDUWYOO-UHFFFAOYSA-N 1 0 396.329 2.605 20 0 GFADRO O=C(CCCOc1ccc(Cl)cc1Cl)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000575044340 564691586 /nfs/dbraw/zinc/69/15/86/564691586.db2.gz WARHXCITLWAUDN-OAHLLOKOSA-N 1 0 386.323 2.659 20 0 GFADRO Cc1cc(Br)c(CNCC(=O)NC2CC2)cc1Br ZINC000527635058 564751759 /nfs/dbraw/zinc/75/17/59/564751759.db2.gz LSFDQBOKMGBLTN-UHFFFAOYSA-N 1 0 376.092 2.888 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)[C@H]2CC(=O)N(c3cc(Cl)cc(Cl)c3)C2)CC[N@@H+]1C ZINC000525105808 564693090 /nfs/dbraw/zinc/69/30/90/564693090.db2.gz WPNNBDVDSKDGKE-XUJVJEKNSA-N 1 0 384.307 2.945 20 0 GFADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNS(=O)(=O)c2c[nH]c3nccc(Cl)c23)C1 ZINC000487673746 564693982 /nfs/dbraw/zinc/69/39/82/564693982.db2.gz NANYIVDBQHSXKC-BETUJISGSA-N 1 0 384.933 2.863 20 0 GFADRO O=C(Nc1cccc(C[N@H+]2CC[C@H](O)C2)c1)c1ccncc1Br ZINC000552515881 564694211 /nfs/dbraw/zinc/69/42/11/564694211.db2.gz BRJTWQZIWIWLDM-AWEZNQCLSA-N 1 0 376.254 2.663 20 0 GFADRO C[N@@H+]1CCC[C@H](CCNC(=O)C2(c3cccc(Br)c3)CC(=O)C2)C1 ZINC000458228463 564694661 /nfs/dbraw/zinc/69/46/61/564694661.db2.gz UOXYWWODOWXNKA-CQSZACIVSA-N 1 0 393.325 2.898 20 0 GFADRO CC[NH+]1CCC(CCNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1 ZINC000525185974 564695161 /nfs/dbraw/zinc/69/51/61/564695161.db2.gz FXIRBXKYYTXWMQ-UHFFFAOYSA-N 1 0 380.432 2.986 20 0 GFADRO CN1CCN(c2ncc(Br)cc2NC(=O)N[C@H]2CC=CCC2)CC1 ZINC000575331837 564696138 /nfs/dbraw/zinc/69/61/38/564696138.db2.gz ZHELDEMYUWHDEN-AWEZNQCLSA-N 1 0 394.317 2.826 20 0 GFADRO COCCC[N@H+](C)CCNC(=O)N[C@H]1C[C@H]1c1cccc(Br)c1 ZINC000525255433 564696345 /nfs/dbraw/zinc/69/63/45/564696345.db2.gz GWJJDFJZIHBPSL-HOTGVXAUSA-N 1 0 384.318 2.573 20 0 GFADRO CC[NH+](CC)[C@H](C)CNC(=O)N[C@H](CO)c1ccc(Br)c(F)c1 ZINC000487785014 564696735 /nfs/dbraw/zinc/69/67/35/564696735.db2.gz OQGAQUOQBBIYAE-IAQYHMDHSA-N 1 0 390.297 2.651 20 0 GFADRO C[C@@H]1CC[N@H+](CCNC(=O)c2ccn(-c3cccc(Br)c3)n2)C1 ZINC000525292579 564698093 /nfs/dbraw/zinc/69/80/93/564698093.db2.gz ZKJRBPSUDWKTQE-CYBMUJFWSA-N 1 0 377.286 2.706 20 0 GFADRO O=C(NC1CC1)[C@@H]([NH2+]CCCn1cc(Br)cn1)c1ccccc1 ZINC000487971507 564700567 /nfs/dbraw/zinc/70/05/67/564700567.db2.gz WBTFPYJYKOWJSK-INIZCTEOSA-N 1 0 377.286 2.645 20 0 GFADRO C[C@@H](Cc1ccccc1Br)NC(=O)NC[C@H]1CCC[N@@H+]1CCCO ZINC000458532080 564704508 /nfs/dbraw/zinc/70/45/08/564704508.db2.gz BBVTZPPAXSXATC-GOEBONIOSA-N 1 0 398.345 2.526 20 0 GFADRO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)NCc2nc3c(cccc3Br)[nH]2)C1 ZINC000458532736 564705619 /nfs/dbraw/zinc/70/56/19/564705619.db2.gz JYYNHSXODRBFMW-SMDDNHRTSA-N 1 0 394.317 2.853 20 0 GFADRO CNC(=O)CN1CCC([NH2+]Cc2csc3c2cccc3Br)CC1 ZINC000576242400 564709345 /nfs/dbraw/zinc/70/93/45/564709345.db2.gz YHHIWXJQOCARTO-UHFFFAOYSA-N 1 0 396.354 2.964 20 0 GFADRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1ccccc1I ZINC000553100672 564709841 /nfs/dbraw/zinc/70/98/41/564709841.db2.gz SYVJKCJYHUFFQK-CHWSQXEVSA-N 1 0 384.261 2.990 20 0 GFADRO O=C(Nc1ccc(Br)cn1)C1CC[NH+](CC[C@@H]2CCOC2)CC1 ZINC000525864896 564710900 /nfs/dbraw/zinc/71/09/00/564710900.db2.gz WMARSIIPKNQUSH-CYBMUJFWSA-N 1 0 382.302 2.921 20 0 GFADRO OC[C@H](C[NH2+]C[C@H](O)COc1ccc(Br)cc1)Cc1ccccc1 ZINC000576279907 564711231 /nfs/dbraw/zinc/71/12/31/564711231.db2.gz KDMGUSIKXBOAAP-WMZOPIPTSA-N 1 0 394.309 2.630 20 0 GFADRO C[C@@H](NC(=O)NC[C@@H]1CCC[N@@H+]1CCCO)c1ccc(Br)s1 ZINC000458690644 564712531 /nfs/dbraw/zinc/71/25/31/564712531.db2.gz OPTFCNJDXLTCQA-NEPJUHHUSA-N 1 0 390.347 2.718 20 0 GFADRO CO[C@@H]1C[NH+](Cc2cn(-c3ccc(Br)cc3)nc2C)C[C@H]1OC ZINC000488542357 564713670 /nfs/dbraw/zinc/71/36/70/564713670.db2.gz ZHZIOGSYWDLMDD-IAGOWNOFSA-N 1 0 380.286 2.789 20 0 GFADRO C[C@H](NC(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)C1)c1cccc(Cl)c1Cl ZINC000576491711 564715024 /nfs/dbraw/zinc/71/50/24/564715024.db2.gz YFKRALVQAMUKSQ-STQMWFEESA-N 1 0 384.307 2.867 20 0 GFADRO O=C1CCCN1CC[NH2+]C1CCN(Cc2ccccc2Br)CC1 ZINC000576760059 564718344 /nfs/dbraw/zinc/71/83/44/564718344.db2.gz IQGONJUECMBAGN-UHFFFAOYSA-N 1 0 380.330 2.626 20 0 GFADRO O=S(=O)(N[C@@H]1C[NH2+]C[C@H]1c1ccccc1)c1cc(F)ccc1Br ZINC000576809838 564719784 /nfs/dbraw/zinc/71/97/84/564719784.db2.gz IAZFDZNZWZGART-DZGCQCFKSA-N 1 0 399.285 2.622 20 0 GFADRO CCC[C@@H]1CN(C(=O)Nc2ccnc(C)c2Br)CC[N@@H+]1CCOC ZINC000526098136 564720688 /nfs/dbraw/zinc/72/06/88/564720688.db2.gz UVTISIYYGVDNDF-CQSZACIVSA-N 1 0 399.333 2.539 20 0 GFADRO CC[C@](NC(=O)C[N@H+](C)[C@H]1CCSC1)(C(=O)OC)c1ccc(Cl)cc1 ZINC000553472379 564721126 /nfs/dbraw/zinc/72/11/26/564721126.db2.gz AJXGNOYMELNWIU-MAUKXSAKSA-N 1 0 384.929 2.672 20 0 GFADRO O=C(CCOc1ccc(Cl)cc1Cl)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000488841720 564721419 /nfs/dbraw/zinc/72/14/19/564721419.db2.gz PPMDALOYVKJUJS-AWEZNQCLSA-N 1 0 387.307 2.943 20 0 GFADRO O=S(=O)(Cc1ccccc1Br)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000553480464 564722519 /nfs/dbraw/zinc/72/25/19/564722519.db2.gz UGNVLZMYNJETTA-CQSZACIVSA-N 1 0 387.343 2.885 20 0 GFADRO CC(C)(C)S(=O)(=O)N1CCC([NH2+]Cc2cnc([C@@H]3CCCO3)s2)CC1 ZINC000577212840 564729388 /nfs/dbraw/zinc/72/93/88/564729388.db2.gz PWAINCJSFVQEQF-HNNXBMFYSA-N 1 0 387.571 2.677 20 0 GFADRO CN(CCC[N@H+](C)Cc1ccco1)c1ncc(I)cn1 ZINC000553704734 564732382 /nfs/dbraw/zinc/73/23/82/564732382.db2.gz BALYFDISKCNAQV-UHFFFAOYSA-N 1 0 386.237 2.633 20 0 GFADRO CC[C@@H]1C[N@H+](CC)CCN1C(=O)NCc1nc2c(cccc2Br)[nH]1 ZINC000459131289 564732651 /nfs/dbraw/zinc/73/26/51/564732651.db2.gz GQKFRXWAUSCTFY-GFCCVEGCSA-N 1 0 394.317 2.951 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)[C@@H]1CCN(CC(F)(F)F)C1)c1ccc(Cl)cc1 ZINC000527166838 564733028 /nfs/dbraw/zinc/73/30/28/564733028.db2.gz NWERZMBFJPICLX-HIFRSBDPSA-N 1 0 377.838 2.943 20 0 GFADRO Cc1cc(CNC(=O)N[C@@H](C)CC[NH+]2CCN(C)CC2)ccc1Br ZINC000459163363 564733909 /nfs/dbraw/zinc/73/39/09/564733909.db2.gz BGPWLSBJWHCPMV-HNNXBMFYSA-N 1 0 397.361 2.583 20 0 GFADRO CCC[N@H+](CC)CCNC(=O)N[C@H](CO)c1ccc(Br)c(F)c1 ZINC000489266925 564734308 /nfs/dbraw/zinc/73/43/08/564734308.db2.gz QWNUDKXWPJSPNU-OAHLLOKOSA-N 1 0 390.297 2.653 20 0 GFADRO C[C@@H]1C[C@H]1[N@@H+]1CCN(C(=O)C(=O)c2ccc(Br)cc2)C[C@@H](C)C1 ZINC000553783472 564736351 /nfs/dbraw/zinc/73/63/51/564736351.db2.gz QFMMSCMDJYCGRI-WOSRLPQWSA-N 1 0 379.298 2.821 20 0 GFADRO CC(C)[C@H]([NH3+])CNC(=O)C(=O)Nc1ccc(C(F)(F)F)c(Br)c1 ZINC000577601811 564736912 /nfs/dbraw/zinc/73/69/12/564736912.db2.gz UVLQOKHJZJSREG-LLVKDONJSA-N 1 0 396.207 2.506 20 0 GFADRO C[C@H](CNC(=O)N1CC[C@]2(CC[N@H+](C)C2)C1)Oc1cccc(Br)c1 ZINC000489393900 564738744 /nfs/dbraw/zinc/73/87/44/564738744.db2.gz DPIFMGQKLKNYSI-KDOFPFPSSA-N 1 0 396.329 2.954 20 0 GFADRO COCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](Cc2cccc(O)c2Br)C1 ZINC000459332311 564740129 /nfs/dbraw/zinc/74/01/29/564740129.db2.gz VLLTWTUVVUXDFB-OCCSQVGLSA-N 1 0 385.302 2.518 20 0 GFADRO COCC[N@H+](C[C@H](O)COc1ccc(Cl)cc1Cl)[C@@H]1CCO[C@H]1C ZINC000489493838 564741966 /nfs/dbraw/zinc/74/19/66/564741966.db2.gz GJBIMFISCLAVLA-DUVNUKRYSA-N 1 0 378.296 2.859 20 0 GFADRO CCN(CC)S(=O)(=O)c1ccc(CC[NH2+]C2CCN(C3CC3)CC2)s1 ZINC000459397887 564742302 /nfs/dbraw/zinc/74/23/02/564742302.db2.gz HRCMPDWJLZAMPG-UHFFFAOYSA-N 1 0 385.599 2.538 20 0 GFADRO C[NH+](C)CC1CCC(NS(=O)(=O)Cc2ccccc2Br)CC1 ZINC000553870810 564742590 /nfs/dbraw/zinc/74/25/90/564742590.db2.gz ZCMIQGPUFSHTGB-UHFFFAOYSA-N 1 0 389.359 2.989 20 0 GFADRO CC[C@H]([NH3+])CNS(=O)(=O)c1csc(-c2ccc(Br)cc2)n1 ZINC000578357502 564743202 /nfs/dbraw/zinc/74/32/02/564743202.db2.gz CTDFBCUHTKHAII-NSHDSACASA-N 1 0 390.328 2.588 20 0 GFADRO CC(C)[C@](C)([NH2+]CCN1C(=O)N[C@@H](C)C1=O)c1ccc(Br)cc1 ZINC000459426072 564744159 /nfs/dbraw/zinc/74/41/59/564744159.db2.gz IARMXOGEUASNPJ-SJCJKPOMSA-N 1 0 382.302 2.850 20 0 GFADRO CCOC(=O)c1cc(Cl)cc(S(=O)(=O)N2CC[C@@H]([NH+](CC)CC)C2)c1 ZINC000489584710 564744941 /nfs/dbraw/zinc/74/49/41/564744941.db2.gz OLEZSHZIAUOXEK-OAHLLOKOSA-N 1 0 388.917 2.622 20 0 GFADRO CCC[C@@H](C)CS(=O)(=O)N(C[C@@H](O)CC(C)(C)C)C1CC[NH+](C)CC1 ZINC000579259993 564746364 /nfs/dbraw/zinc/74/63/64/564746364.db2.gz RTAGXPZOOZBIRT-AEFFLSMTSA-N 1 0 376.607 2.946 20 0 GFADRO C[C@H]1NC(=O)N(CC[N@@H+]2CCCC[C@H]2Cc2ccccc2Br)C1=O ZINC000459492505 564746787 /nfs/dbraw/zinc/74/67/87/564746787.db2.gz WRXFOMSMQYXRDF-HIFRSBDPSA-N 1 0 394.313 2.786 20 0 GFADRO O[C@H](C[NH2+][C@@H]1CC[C@H]1C1CC1)COc1ccc(I)cc1 ZINC000579628532 564749107 /nfs/dbraw/zinc/74/91/07/564749107.db2.gz VWIHAYRTOQJWNO-VNQPRFMTSA-N 1 0 387.261 2.809 20 0 GFADRO [NH3+]CCc1nc(C(=O)N2CCc3ccc(F)c(Br)c3C2)cs1 ZINC000527617095 564750130 /nfs/dbraw/zinc/75/01/30/564750130.db2.gz CVYREKFRYKZCDY-UHFFFAOYSA-N 1 0 384.274 2.744 20 0 GFADRO C[C@@H]1CN(Cc2cccc(O)c2Br)CCN1C1CC[NH+](C)CC1 ZINC000459557276 564750644 /nfs/dbraw/zinc/75/06/44/564750644.db2.gz JHLFEMBIEZCOKG-CQSZACIVSA-N 1 0 382.346 2.755 20 0 GFADRO C[N@@H+]1CC[C@@]2(CCN(C(=O)c3ccc(Br)c4c3OCCC4)C2)C1 ZINC000554142690 564751791 /nfs/dbraw/zinc/75/17/91/564751791.db2.gz VWIQQZMXRWBMSA-GOSISDBHSA-N 1 0 379.298 2.942 20 0 GFADRO CS(=O)(=O)c1ccc(-c2nc(CN3CCCC[C@H]3CC[NH3+])cs2)cc1 ZINC000489799263 564753685 /nfs/dbraw/zinc/75/36/85/564753685.db2.gz IKPKHHOXMQACKM-INIZCTEOSA-N 1 0 379.551 2.917 20 0 GFADRO O[C@H]1CCCC[C@@H]1[NH+]1CCC(NCc2ncc(Br)cc2F)CC1 ZINC000527672637 564753899 /nfs/dbraw/zinc/75/38/99/564753899.db2.gz BSBUQFGJMUGKHP-IRXDYDNUSA-N 1 0 386.309 2.841 20 0 GFADRO COCCC(=O)N1CCC([NH2+]Cc2ncc(Cl)cc2Br)CC1 ZINC000527675904 564754289 /nfs/dbraw/zinc/75/42/89/564754289.db2.gz RKVLTWFWFOAWHV-UHFFFAOYSA-N 1 0 390.709 2.615 20 0 GFADRO CS(=O)(=O)N[C@H]1CCC[C@@H]1C[NH2+]Cc1ccc(Br)c(F)c1F ZINC000527672310 564754257 /nfs/dbraw/zinc/75/42/57/564754257.db2.gz HKVLYPFCYIVACQ-SKDRFNHKSA-N 1 0 397.285 2.535 20 0 GFADRO Brc1ccc(-c2nc(CN3CCN([C@@H]4CC[NH2+]C4)CC3)co2)cc1 ZINC000489881420 564756293 /nfs/dbraw/zinc/75/62/93/564756293.db2.gz FQQHRCAQXDLHRB-QGZVFWFLSA-N 1 0 391.313 2.584 20 0 GFADRO CC(=O)NCC[C@@H]1CCC[N@H+](C[C@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000554291995 564756793 /nfs/dbraw/zinc/75/67/93/564756793.db2.gz LRFXDNZYFZMEGU-HOCLYGCPSA-N 1 0 389.323 2.971 20 0 GFADRO Brc1ccc(-c2cnc(CN3CCN([C@@H]4CC[NH2+]C4)CC3)o2)cc1 ZINC000489929962 564757589 /nfs/dbraw/zinc/75/75/89/564757589.db2.gz CRWNZSUIMXOIHZ-MRXNPFEDSA-N 1 0 391.313 2.584 20 0 GFADRO CS(=O)(=O)N1CCCC[C@H]1C[NH2+]Cc1ccc(Br)c(F)c1F ZINC000527707219 564757694 /nfs/dbraw/zinc/75/76/94/564757694.db2.gz DIBJDSHAMYDPGJ-NSHDSACASA-N 1 0 397.285 2.631 20 0 GFADRO COC[C@H]([NH2+]C[C@@]1(N2CCOCC2)CCSC1)c1cccc(Cl)c1F ZINC000554350093 564757963 /nfs/dbraw/zinc/75/79/63/564757963.db2.gz ZRYBKIOHCNYCIL-WMZOPIPTSA-N 1 0 388.936 2.964 20 0 GFADRO CCN1CC[NH+](C[C@H](C)CNC(=O)c2cnc(-c3ccsc3)s2)CC1 ZINC000489959260 564758074 /nfs/dbraw/zinc/75/80/74/564758074.db2.gz URLIRFDLEIEFGU-CQSZACIVSA-N 1 0 378.567 2.875 20 0 GFADRO CCc1nnc(NC(=O)[C@H](C)[C@H](C)[NH2+][C@@H]2CCO[C@H](C(F)(F)F)C2)s1 ZINC000554371696 564758306 /nfs/dbraw/zinc/75/83/06/564758306.db2.gz VCGCPKDMZKTNFW-YTWAJWBKSA-N 1 0 380.436 2.763 20 0 GFADRO CN(CCC[NH+]1CCN(C)CC1)Cc1ccc(Br)c(F)c1F ZINC000527729802 564758439 /nfs/dbraw/zinc/75/84/39/564758439.db2.gz MUBDZKHYSCXUEK-UHFFFAOYSA-N 1 0 376.289 2.797 20 0 GFADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)c2ccc(Br)c(F)c2F)C1 ZINC000527723079 564758681 /nfs/dbraw/zinc/75/86/81/564758681.db2.gz XJEUTRVHWFHSHV-LLVKDONJSA-N 1 0 391.256 2.814 20 0 GFADRO COc1c(Cl)cc(Cl)cc1C[NH2+]CC1(N2CCOCC2)CCOCC1 ZINC000459711357 564759104 /nfs/dbraw/zinc/75/91/04/564759104.db2.gz MFBBGGZIWOLXKD-UHFFFAOYSA-N 1 0 389.323 2.973 20 0 GFADRO CN1C2(CCC2)COC[C@]1(CO)C[NH2+]Cc1cnc(-c2cccs2)s1 ZINC000527756257 564759443 /nfs/dbraw/zinc/75/94/43/564759443.db2.gz YOBYYRZCUNDNPH-GOSISDBHSA-N 1 0 379.551 2.577 20 0 GFADRO CCCN(C(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000459787936 564760722 /nfs/dbraw/zinc/76/07/22/564760722.db2.gz POBPCDSWNCKZTO-CKEIUWERSA-N 1 0 386.945 2.805 20 0 GFADRO O=S(=O)(C[C@@H](O)C[NH2+][C@@H]1CCc2cc(F)c(Cl)cc21)c1cccs1 ZINC000527874451 564763444 /nfs/dbraw/zinc/76/34/44/564763444.db2.gz CWCOFLCMUSNOPU-XHDPSFHLSA-N 1 0 389.901 2.952 20 0 GFADRO Cc1cccc(N2CC[NH+](CCCNC(=O)[C@H]3C[C@]3(C)Br)CC2)c1 ZINC000527909793 564764174 /nfs/dbraw/zinc/76/41/74/564764174.db2.gz SHHQENVJGGJPPN-MJGOQNOKSA-N 1 0 394.357 2.797 20 0 GFADRO Cn1c(C[NH2+][C@@H](C2CC2)[C@]2(CO)CCCO2)nc2ccc(Br)cc21 ZINC000580575343 564764781 /nfs/dbraw/zinc/76/47/81/564764781.db2.gz NTQHITVABZFBHP-ZWKOTPCHSA-N 1 0 394.313 2.746 20 0 GFADRO O=C(N[C@H]1CC[N@@H+](C2CC2)C1)N[C@@H]1COc2cc(F)c(Br)cc21 ZINC000554532290 564764770 /nfs/dbraw/zinc/76/47/70/564764770.db2.gz XZEHLMKKERHXFJ-LKFCYVNXSA-N 1 0 384.249 2.558 20 0 GFADRO Cc1c([C@H](C)[NH2+]C[C@H](O)[C@H]2CCCO2)nnn1-c1cccc(Br)c1 ZINC000527950000 564765192 /nfs/dbraw/zinc/76/51/92/564765192.db2.gz CUUZOHCVBIKUCT-KNXALSJPSA-N 1 0 395.301 2.529 20 0 GFADRO O=C(NCc1cc(Br)c2c(c1)OCCO2)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000490175546 564765383 /nfs/dbraw/zinc/76/53/83/564765383.db2.gz FKIQNERCGHXCEN-QEJZJMRPSA-N 1 0 395.297 2.757 20 0 GFADRO O=C(NCc1cc(Br)c2c(c1)OCCO2)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000490175547 564765651 /nfs/dbraw/zinc/76/56/51/564765651.db2.gz FKIQNERCGHXCEN-SNPRPXQTSA-N 1 0 395.297 2.757 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)C(=O)N(C)Cc1c(Cl)cccc1Cl ZINC000459961022 564766110 /nfs/dbraw/zinc/76/61/10/564766110.db2.gz NHOPMOSVEJGODL-ZDUSSCGKSA-N 1 0 386.323 2.895 20 0 GFADRO CCn1ccnc1[C@@H]([NH2+]CC1COC1)c1ccc(I)cc1 ZINC000528028486 564767189 /nfs/dbraw/zinc/76/71/89/564767189.db2.gz XSWPNUASZPTQIO-HNNXBMFYSA-N 1 0 397.260 2.833 20 0 GFADRO C[C@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)C(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000459969171 564767154 /nfs/dbraw/zinc/76/71/54/564767154.db2.gz KEIYUMXKOPLFNU-PVXIVEMSSA-N 1 0 384.307 2.675 20 0 GFADRO C[C@H](NC(=O)N1CC[C@@H]([N@H+](C)CCO)[C@H]1C)c1ccc(Br)s1 ZINC000490274650 564767291 /nfs/dbraw/zinc/76/72/91/564767291.db2.gz QKZOEOFJVYUQBQ-QJPTWQEYSA-N 1 0 390.347 2.668 20 0 GFADRO O=S(=O)(N[C@@H]1CC[NH2+]C12CCC2)c1ccc(Br)c(Cl)c1 ZINC000528050193 564768194 /nfs/dbraw/zinc/76/81/94/564768194.db2.gz BHWAYWWVSZUGGJ-GFCCVEGCSA-N 1 0 379.707 2.665 20 0 GFADRO O=S(=O)(NC[C@@H]1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1)C1CC1 ZINC000580673837 564768379 /nfs/dbraw/zinc/76/83/79/564768379.db2.gz FNUJTYPFAAEHOA-AWEZNQCLSA-N 1 0 376.444 2.999 20 0 GFADRO CC(=O)N1CCC[C@@H](C[NH2+]C[C@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000580709852 564770462 /nfs/dbraw/zinc/77/04/62/564770462.db2.gz GLWANVVMYCXUJM-KBPBESRZSA-N 1 0 375.296 2.581 20 0 GFADRO CC[NH+]1CCN(c2ccc(-c3noc([C@H]4C[C@@]4(C)Br)n3)cn2)CC1 ZINC000528123455 564770818 /nfs/dbraw/zinc/77/08/18/564770818.db2.gz BFDUGPOWTBNMHV-CXAGYDPISA-N 1 0 392.301 2.914 20 0 GFADRO CC(C)[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)N[C@@H](C)C1=CC[N@H+](C)CC1 ZINC000554790970 564773527 /nfs/dbraw/zinc/77/35/27/564773527.db2.gz HHUMTCIMLNEHCD-BLLLJJGKSA-N 1 0 383.945 2.923 20 0 GFADRO CC[NH2+]CCCNC(=O)CCc1nc(-c2cc(Br)cs2)no1 ZINC000580772971 564773676 /nfs/dbraw/zinc/77/36/76/564773676.db2.gz KTGDHQCZLIAWGD-UHFFFAOYSA-N 1 0 387.303 2.609 20 0 GFADRO C[NH+](C)CCOc1cnccc1CNC(=O)Cc1ccccc1Br ZINC000554781867 564773850 /nfs/dbraw/zinc/77/38/50/564773850.db2.gz DIGNAAKGJXULFR-UHFFFAOYSA-N 1 0 392.297 2.643 20 0 GFADRO C[C@H](C[N@H+](C)C[C@H]1CCN(S(C)(=O)=O)C1)Oc1ccc(Cl)c(Cl)c1 ZINC000554840982 564774326 /nfs/dbraw/zinc/77/43/26/564774326.db2.gz LBKLZQRNRJYTDY-CHWSQXEVSA-N 1 0 395.352 2.974 20 0 GFADRO CCOC(=O)[C@H](C)[C@H](C)[NH2+][C@@H](C)C(=O)N(C)Cc1ccc(Br)cc1 ZINC000554812126 564774847 /nfs/dbraw/zinc/77/48/47/564774847.db2.gz PVVMDVSAAILOIK-RDBSUJKOSA-N 1 0 399.329 2.973 20 0 GFADRO O=C(Nc1ccc2nccnc2c1Br)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000580822250 564775460 /nfs/dbraw/zinc/77/54/60/564775460.db2.gz SVWYMHQIXGDISU-TXEJJXNPSA-N 1 0 390.285 2.856 20 0 GFADRO C[N@@H+]1CC[C@@]2(CCN(S(=O)(=O)c3cccc(Br)c3Cl)C2)C1 ZINC000490529631 564775573 /nfs/dbraw/zinc/77/55/73/564775573.db2.gz YRCYAQGSXDSQTB-CQSZACIVSA-N 1 0 393.734 2.819 20 0 GFADRO Cc1cc(Br)cc(C)c1S(=O)(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000490579513 564777272 /nfs/dbraw/zinc/77/72/72/564777272.db2.gz LRPQDGUYVMALIP-MRXNPFEDSA-N 1 0 387.343 2.782 20 0 GFADRO COC(=O)CC[N@@H+]1CCN(Cc2cc(OC)ccc2Br)[C@@H](C)C1 ZINC000554935696 564778136 /nfs/dbraw/zinc/77/81/36/564778136.db2.gz GOLIUXYBYQXNOY-ZDUSSCGKSA-N 1 0 385.302 2.527 20 0 GFADRO COC(=O)CC[N@@H+]1CCN(Cc2cc(OC)ccc2Br)[C@H](C)C1 ZINC000554935695 564778254 /nfs/dbraw/zinc/77/82/54/564778254.db2.gz GOLIUXYBYQXNOY-CYBMUJFWSA-N 1 0 385.302 2.527 20 0 GFADRO CC[N@H+](CCNC(=O)N1CC[C@@H](n2cc(Cl)cn2)C1)CCC(F)(F)F ZINC000460669431 564778835 /nfs/dbraw/zinc/77/88/35/564778835.db2.gz MXXQSEZRJZTIPU-CYBMUJFWSA-N 1 0 381.830 2.767 20 0 GFADRO Cc1cnn([C@H]2CC[N@H+](C[C@H](O)COc3cc(F)cc(Br)c3)C2)c1 ZINC000554958612 564779300 /nfs/dbraw/zinc/77/93/00/564779300.db2.gz PGAKVKIRMLVSQQ-HOTGVXAUSA-N 1 0 398.276 2.780 20 0 GFADRO CC(C)[C@@H](O)C1(C[NH2+]Cc2cn(-c3ccccc3Br)nn2)CC1 ZINC000554970716 564780013 /nfs/dbraw/zinc/78/00/13/564780013.db2.gz DNMHDTHCTBZDHL-MRXNPFEDSA-N 1 0 379.302 2.917 20 0 GFADRO CSC1(CNC(=O)C(=O)Nc2c(F)cc(Cl)cc2F)CC[NH+](C)CC1 ZINC000555052202 564781789 /nfs/dbraw/zinc/78/17/89/564781789.db2.gz FFSGJDWNZLQTQT-UHFFFAOYSA-N 1 0 391.871 2.500 20 0 GFADRO CCCN(CC[NH+](CC)CC)S(=O)(=O)c1ccc(Cl)cc1C(=O)OC ZINC000460904488 564783640 /nfs/dbraw/zinc/78/36/40/564783640.db2.gz AWKXWTMWYLNUSK-UHFFFAOYSA-N 1 0 390.933 2.869 20 0 GFADRO CCC[N@H+](CCCS(=O)(=O)N(C)C)Cc1ccccc1Br ZINC000491028208 564785551 /nfs/dbraw/zinc/78/55/51/564785551.db2.gz OBHJGCNDPMFELI-UHFFFAOYSA-N 1 0 377.348 2.943 20 0 GFADRO CC[C@H]1[NH2+]CC[C@H]1C(=O)NCc1noc(-c2cccc(Br)c2)n1 ZINC000581069408 564785674 /nfs/dbraw/zinc/78/56/74/564785674.db2.gz FZMUSPOYKROHJG-CHWSQXEVSA-N 1 0 379.258 2.503 20 0 GFADRO CC[NH+]1CCN([C@@H]2CCN(c3ncc4scc(Br)c4n3)C2)CC1 ZINC000581142936 564789849 /nfs/dbraw/zinc/78/98/49/564789849.db2.gz QNVUFAGCNQNODD-GFCCVEGCSA-N 1 0 396.358 2.670 20 0 GFADRO O=S(=O)(NC[C@@H]1CC[N@@H+]1C1CCCC1)c1cc(F)ccc1Br ZINC000528548682 564793461 /nfs/dbraw/zinc/79/34/61/564793461.db2.gz JHBQVNCUZUXKNG-ZDUSSCGKSA-N 1 0 391.306 2.883 20 0 GFADRO C[C@]1(Br)C[C@H]1C(=O)NC1CC[NH+](CCOc2ccc(F)cc2)CC1 ZINC000528604543 564796544 /nfs/dbraw/zinc/79/65/44/564796544.db2.gz BLKLPOKMCIMEIS-WMZOPIPTSA-N 1 0 399.304 2.959 20 0 GFADRO Cc1cccc(CC(=O)N2CC[NH+](CC3CCOCC3)CC2)c1Br ZINC000528612544 564797983 /nfs/dbraw/zinc/79/79/83/564797983.db2.gz MDIYILSBFXEYQP-UHFFFAOYSA-N 1 0 395.341 2.871 20 0 GFADRO O=C(Nc1ccc(F)cc1I)N[C@@H]1CC[NH2+]C12CCC2 ZINC000528681443 564799451 /nfs/dbraw/zinc/79/94/51/564799451.db2.gz GDKAYIJSSJLZJG-GFCCVEGCSA-N 1 0 389.212 2.836 20 0 GFADRO CCOC(=O)CC[N@H+](C)CCCOc1cccc(I)c1 ZINC000581382512 564800118 /nfs/dbraw/zinc/80/01/18/564800118.db2.gz PABKXDCEKKZARM-UHFFFAOYSA-N 1 0 391.249 2.945 20 0 GFADRO CCO[C@@H]1C[C@H]([NH2+]Cc2cccc(I)c2)[C@H]1n1cccn1 ZINC000555648326 564800710 /nfs/dbraw/zinc/80/07/10/564800710.db2.gz YEWRMYPLVSQRQU-ARFHVFGLSA-N 1 0 397.260 2.996 20 0 GFADRO Cc1ccc(S(=O)(=O)N2CCC(CC[NH+]3CCOCC3)CC2)c(Cl)c1 ZINC000492236095 564800799 /nfs/dbraw/zinc/80/07/99/564800799.db2.gz BFJQYVSELYEQPO-UHFFFAOYSA-N 1 0 386.945 2.771 20 0 GFADRO O=C(NC[C@H]1COCC[NH2+]1)Nc1ccc(Br)c(Cl)c1Cl ZINC000528689847 564800807 /nfs/dbraw/zinc/80/08/07/564800807.db2.gz QHKFTTSJOBKVNA-ZETCQYMHSA-N 1 0 383.073 2.866 20 0 GFADRO Cc1nc2cc(Br)cc(NC(=O)NC3(C[NH3+])CCOCC3)c2o1 ZINC000528691074 564800866 /nfs/dbraw/zinc/80/08/66/564800866.db2.gz RIJRORROWAQASI-UHFFFAOYSA-N 1 0 383.246 2.528 20 0 GFADRO Cc1nc(NC(=O)NC[C@@H]2COCC[NH2+]2)sc1Cc1ccccc1Cl ZINC000528695423 564801373 /nfs/dbraw/zinc/80/13/73/564801373.db2.gz QMSYDLHKHBPSAM-CYBMUJFWSA-N 1 0 380.901 2.806 20 0 GFADRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)c2cc(O)cc(Br)c2)C1 ZINC000528745056 564802488 /nfs/dbraw/zinc/80/24/88/564802488.db2.gz NFNCZEKADVLVOI-MRXNPFEDSA-N 1 0 385.302 2.728 20 0 GFADRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)COc2ccc(F)cc2Br)C1 ZINC000493177523 564806801 /nfs/dbraw/zinc/80/68/01/564806801.db2.gz COGKUGCXUBCCGR-IUODEOHRSA-N 1 0 385.277 2.910 20 0 GFADRO COCCN(CC[NH+](C)C)C(=O)c1cc(Cl)cc(F)c1Br ZINC000555874879 564806950 /nfs/dbraw/zinc/80/69/50/564806950.db2.gz KFLRIJCUSWPNOW-UHFFFAOYSA-N 1 0 381.673 2.892 20 0 GFADRO O=S(=O)(N[C@@H]1C[C@H]1C1CC[NH2+]CC1)c1ccc(Cl)c(Br)c1 ZINC000461896613 564807469 /nfs/dbraw/zinc/80/74/69/564807469.db2.gz GZCDJBBKZYXVST-SMDDNHRTSA-N 1 0 393.734 2.769 20 0 GFADRO CCCCNC(=O)NC(=O)C[NH2+][C@@H](c1cncc(Br)c1)C1CC1 ZINC000581563257 564807986 /nfs/dbraw/zinc/80/79/86/564807986.db2.gz BENNRQPIVYOOMN-OAHLLOKOSA-N 1 0 383.290 2.511 20 0 GFADRO COC(=O)c1cc(Br)cc(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000461964677 564809762 /nfs/dbraw/zinc/80/97/62/564809762.db2.gz KRICLIAJDZINSV-HUUCEWRRSA-N 1 0 381.270 2.592 20 0 GFADRO CC1CC[NH+](CCNC(=O)C(=O)N(C)Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000556065938 564811353 /nfs/dbraw/zinc/81/13/53/564811353.db2.gz OYJCVJNSAAYLBQ-UHFFFAOYSA-N 1 0 386.323 2.800 20 0 GFADRO COc1cc(Cl)c(S(=O)(=O)NCC[NH+]2[C@@H](C)CCC[C@@H]2C)cc1OC ZINC000556092207 564812334 /nfs/dbraw/zinc/81/23/34/564812334.db2.gz ZDUMMOCEJLUGTI-STQMWFEESA-N 1 0 390.933 2.898 20 0 GFADRO O=C(NCC[C@@H]1CC[NH2+]C1)Nc1ccnn1Cc1cccc(Br)c1 ZINC000581655303 564812887 /nfs/dbraw/zinc/81/28/87/564812887.db2.gz MHMMXFIMHNMJPQ-ZDUSSCGKSA-N 1 0 392.301 2.815 20 0 GFADRO O=S(=O)(CC[NH2+]CCc1ccc(O)cc1)c1cccc(Br)c1 ZINC000581662803 564813080 /nfs/dbraw/zinc/81/30/80/564813080.db2.gz XROLEQHYOBMYIW-UHFFFAOYSA-N 1 0 384.295 2.761 20 0 GFADRO CCCC[N@H+](C)CC1CCN(Cc2cc(Cl)cc(S(N)(=O)=O)c2)CC1 ZINC000556122643 564813259 /nfs/dbraw/zinc/81/32/59/564813259.db2.gz HRZLMXXZFQEBHZ-UHFFFAOYSA-N 1 0 387.977 2.931 20 0 GFADRO Cn1cc(Br)cc(NC(=O)NC[C@@H]2CC[N@@H+]2C2CCCCC2)c1=O ZINC000529010948 564814185 /nfs/dbraw/zinc/81/41/85/564814185.db2.gz QHTPUCKPVBZEHF-AWEZNQCLSA-N 1 0 397.317 2.676 20 0 GFADRO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000556364042 564821041 /nfs/dbraw/zinc/82/10/41/564821041.db2.gz SAQDNNJQINDOJO-CVEARBPZSA-N 1 0 384.307 2.695 20 0 GFADRO CCCC[N@H+](C)CCNS(=O)(=O)c1cnn(-c2ccc(Cl)cc2)c1C ZINC000462140391 564823198 /nfs/dbraw/zinc/82/31/98/564823198.db2.gz PRHBURFYGXAIJC-UHFFFAOYSA-N 1 0 384.933 2.844 20 0 GFADRO Cc1c(Cl)cccc1N1CCCN(S(=O)(=O)CC[NH+]2CCCC2)CC1 ZINC000556395614 564823584 /nfs/dbraw/zinc/82/35/84/564823584.db2.gz WRDCYXVXUBEHON-UHFFFAOYSA-N 1 0 385.961 2.586 20 0 GFADRO COC[C@H](C)OC[C@H](O)C[NH2+]CC1(c2ccc(Br)cc2)CCC1 ZINC000581938834 564824022 /nfs/dbraw/zinc/82/40/22/564824022.db2.gz WRLKHSIAAGSTIT-WMLDXEAASA-N 1 0 386.330 2.873 20 0 GFADRO CCSc1nnc(NC(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)s1 ZINC000462240290 564828050 /nfs/dbraw/zinc/82/80/50/564828050.db2.gz WFNSILHVMRKYPY-TZMCWYRMSA-N 1 0 377.539 3.292 20 0 GFADRO CC[N@@H+]1C[C@@H](C)N(C(=O)c2cc(Br)cc(C(=O)OC)c2)C[C@@H]1C ZINC000462264686 564830283 /nfs/dbraw/zinc/83/02/83/564830283.db2.gz BFPKMNRDZGEBBG-NWDGAFQWSA-N 1 0 383.286 2.790 20 0 GFADRO Cc1ccc(S(=O)(=O)NCC[N@@H+](C)C2CCCC2)cc1Br ZINC000462275134 564830334 /nfs/dbraw/zinc/83/03/34/564830334.db2.gz FWDWJNLNEVJNCB-UHFFFAOYSA-N 1 0 375.332 2.910 20 0 GFADRO COC(=O)c1ccc(CNC[C@@]2([NH+](C)C)CCSC2)c(Br)c1 ZINC000556602180 564832035 /nfs/dbraw/zinc/83/20/35/564832035.db2.gz UAYKTDSWXQDMKL-INIZCTEOSA-N 1 0 387.343 2.763 20 0 GFADRO CCC[C@H](C)[C@@H](CO)[NH2+]CCS(=O)(=O)c1ccc(Br)cc1 ZINC000582125117 564832088 /nfs/dbraw/zinc/83/20/88/564832088.db2.gz HGYWGNBGRFZMDW-SWLSCSKDSA-N 1 0 378.332 2.610 20 0 GFADRO CC[C@@H]1CN(CC[NH2+][C@H](C)CC(=O)Nc2ccc(Br)cc2)CCO1 ZINC000494505038 564832444 /nfs/dbraw/zinc/83/24/44/564832444.db2.gz ODONYXFLALMJMT-RHSMWYFYSA-N 1 0 398.345 2.867 20 0 GFADRO O=C(NC[C@H]1CCC[N@H+]1CCCO)[C@@H]1C[C@H]1c1csc(Br)c1 ZINC000529438701 564835719 /nfs/dbraw/zinc/83/57/19/564835719.db2.gz LAFQAELIAYEATG-HZSPNIEDSA-N 1 0 387.343 2.577 20 0 GFADRO CN(CC[NH2+]C1CC(OCc2ccccc2)C1)S(=O)(=O)c1cccs1 ZINC000494633196 564836007 /nfs/dbraw/zinc/83/60/07/564836007.db2.gz FVRGPRCWHCJELT-UHFFFAOYSA-N 1 0 380.535 2.706 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CCCN(c2ncnc3cccc(I)c32)C1 ZINC000582291333 564838593 /nfs/dbraw/zinc/83/85/93/564838593.db2.gz GOYIOQQFRHULJY-GHMZBOCLSA-N 1 0 382.249 2.798 20 0 GFADRO C[C@@H](O)C[N@H+](C)C1CCN(Cc2ncc(Cl)cc2Br)CC1 ZINC000529527574 564839429 /nfs/dbraw/zinc/83/94/29/564839429.db2.gz OXDQEFJUCKILKP-LLVKDONJSA-N 1 0 376.726 2.775 20 0 GFADRO OC1(C[NH2+]Cc2ccc(I)cc2Cl)CCOCC1 ZINC000582313179 564840557 /nfs/dbraw/zinc/84/05/57/564840557.db2.gz MHONPNYBEMKZPG-UHFFFAOYSA-N 1 0 381.641 2.576 20 0 GFADRO O=C([C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000494885511 564842463 /nfs/dbraw/zinc/84/24/63/564842463.db2.gz HPYYHZZGHLPSEH-RBOXIYTFSA-N 1 0 382.291 2.557 20 0 GFADRO C[C@@H](CNC(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1)[N@H+](C)C1CC1 ZINC000494878729 564842827 /nfs/dbraw/zinc/84/28/27/564842827.db2.gz MUSYUNYWRPKIHZ-DZGCQCFKSA-N 1 0 395.345 2.810 20 0 GFADRO COc1ccc(C[C@@H](CO)C[NH2+]Cc2ncc(Br)cc2F)cc1O ZINC000529568656 564843188 /nfs/dbraw/zinc/84/31/88/564843188.db2.gz VIRZPAZPDLCMSL-GFCCVEGCSA-N 1 0 399.260 2.638 20 0 GFADRO O=C(NCC[C@@H]1CCC[NH2+]C1)Nc1nnc(-c2c(F)cccc2Cl)s1 ZINC000582408602 564845325 /nfs/dbraw/zinc/84/53/25/564845325.db2.gz RVFUKVVHUDQQMY-JTQLQIEISA-N 1 0 383.880 3.509 20 0 GFADRO C[C@@H]1C[C@H]([NH2+]CCCNS(=O)(=O)c2ccccc2Br)[C@H]1C ZINC000495005054 564846015 /nfs/dbraw/zinc/84/60/15/564846015.db2.gz ILXKYPMYRMGDGN-DYEKYZERSA-N 1 0 375.332 2.752 20 0 GFADRO C[C@H]([NH2+]Cc1ccc(C[S@](C)=O)cc1)c1ccc(NS(C)(=O)=O)cc1 ZINC000556898024 564846086 /nfs/dbraw/zinc/84/60/86/564846086.db2.gz DPJLAUXUNQNYGC-BSEYFRJRSA-N 1 0 380.535 2.787 20 0 GFADRO Cc1ccc(S(=O)(=O)NC[C@@H](C)C[NH+]2CCCC2)cc1Br ZINC000462535649 564846288 /nfs/dbraw/zinc/84/62/88/564846288.db2.gz IZWULDKEHGORPT-GFCCVEGCSA-N 1 0 375.332 2.768 20 0 GFADRO Brc1cncc(Br)c1C[NH2+][C@H]1CCn2ccnc2C1 ZINC000582427513 564846624 /nfs/dbraw/zinc/84/66/24/564846624.db2.gz AQTXOVYKYFEOPZ-VIFPVBQESA-N 1 0 386.091 2.908 20 0 GFADRO COC(=O)c1cccc(NC(=O)N(C)CC[NH+]2CCCC2)c1Br ZINC000495031749 564846650 /nfs/dbraw/zinc/84/66/50/564846650.db2.gz SQSSDEMCTLXLHV-UHFFFAOYSA-N 1 0 384.274 2.795 20 0 GFADRO O=C(Cc1cc[nH]c(=O)c1Br)NC[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000529721097 564848296 /nfs/dbraw/zinc/84/82/96/564848296.db2.gz YEZUTIPCPSTUNC-AWEZNQCLSA-N 1 0 382.302 2.615 20 0 GFADRO C[C@@H]1C[C@H]([NH2+]C[C@@H](O)COc2ccc(I)cc2)[C@@H]1C ZINC000495083497 564848734 /nfs/dbraw/zinc/84/87/34/564848734.db2.gz XWGDZRBFHPIMOI-CVMIBZJCSA-N 1 0 375.250 2.665 20 0 GFADRO COc1ccc(CN2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)c(Br)c1O ZINC000556964138 564849090 /nfs/dbraw/zinc/84/90/90/564849090.db2.gz GEINHKPIZMBWKP-KSSFIOAISA-N 1 0 399.329 2.882 20 0 GFADRO COc1ccc(C[NH2+]C[C@@H](O)COc2cc(F)cc(Br)c2)nc1 ZINC000582541800 564851232 /nfs/dbraw/zinc/85/12/32/564851232.db2.gz HMMDYLGHHAWWHH-CQSZACIVSA-N 1 0 385.233 2.521 20 0 GFADRO CCOC(=O)COc1c(Br)cc(C)cc1CN1CC[NH2+]C(C)(C)C1 ZINC000582565788 564851872 /nfs/dbraw/zinc/85/18/72/564851872.db2.gz SIHROSBUIBOLFR-UHFFFAOYSA-N 1 0 399.329 2.883 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000582594197 564853592 /nfs/dbraw/zinc/85/35/92/564853592.db2.gz CBADGHCMPOIMKB-GOSISDBHSA-N 1 0 394.313 2.607 20 0 GFADRO C[NH+](C)[C@H]1CN(C(=O)[C@@H]2CCCO[C@H]2c2ccc(Cl)cc2Cl)C[C@@H]1O ZINC000582618265 564854628 /nfs/dbraw/zinc/85/46/28/564854628.db2.gz ZCLPDOVELVCMKD-IWCQGFGOSA-N 1 0 387.307 2.594 20 0 GFADRO CCn1cc(Br)cc1C(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000529914605 564857143 /nfs/dbraw/zinc/85/71/43/564857143.db2.gz UCGMREDKSPAVAW-UHFFFAOYSA-N 1 0 384.318 2.597 20 0 GFADRO COC(=O)CCC[NH+]1CCC(NCc2cc(OC)ccc2Br)CC1 ZINC000462774434 564858123 /nfs/dbraw/zinc/85/81/23/564858123.db2.gz CESCQLFRJIDUEW-UHFFFAOYSA-N 1 0 399.329 2.965 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)C(=O)N1CC[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000495990456 564858327 /nfs/dbraw/zinc/85/83/27/564858327.db2.gz NSLSKIDGWAZEMF-XJKSGUPXSA-N 1 0 394.313 2.503 20 0 GFADRO COC(=O)c1ccc(C[N@@H+]2CC[C@H](c3nc(C)no3)C2)c(Br)c1 ZINC000496226052 564860428 /nfs/dbraw/zinc/86/04/28/564860428.db2.gz NRKBNUJWFRHJQH-ZDUSSCGKSA-N 1 0 380.242 2.917 20 0 GFADRO C[C@@H](Cn1cc(Br)cn1)Nc1cccc(C[N@@H+]2CC[C@H](O)C2)c1 ZINC000462852114 564860839 /nfs/dbraw/zinc/86/08/39/564860839.db2.gz FLXSFELWWWVWNN-GUYCJALGSA-N 1 0 379.302 2.713 20 0 GFADRO CCCN(CC(=O)Nc1ccc(Cl)cc1)C(=O)C[N@H+](C)[C@@H]1CCSC1 ZINC000496864054 564861259 /nfs/dbraw/zinc/86/12/59/564861259.db2.gz KBQYEPFOKDOJEU-MRXNPFEDSA-N 1 0 383.945 2.954 20 0 GFADRO O=C(N[C@@H]1C[C@H]1C1CC[NH2+]CC1)c1cc(-c2ccc(Br)cc2)n[nH]1 ZINC000462883702 564862094 /nfs/dbraw/zinc/86/20/94/564862094.db2.gz MMZGPIBLQOESMW-GOEBONIOSA-N 1 0 389.297 2.957 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1 ZINC000497079803 564862321 /nfs/dbraw/zinc/86/23/21/564862321.db2.gz LJSVXQWTLAKTCX-IUODEOHRSA-N 1 0 384.307 2.947 20 0 GFADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3cc(Br)cn3C)n2C)C[C@H]1C ZINC000557526056 564865888 /nfs/dbraw/zinc/86/58/88/564865888.db2.gz TTXJODNQNMVHRJ-VXGBXAGGSA-N 1 0 381.322 2.502 20 0 GFADRO Brc1ccn2cc(C[NH2+]Cc3cccc(-n4cncn4)c3)nc2c1 ZINC000557538148 564866419 /nfs/dbraw/zinc/86/64/19/564866419.db2.gz PPKMBAVXOCUODS-UHFFFAOYSA-N 1 0 383.253 2.967 20 0 GFADRO COc1ccc(Br)c(CNC(=O)N2CC[C@H]3CC[N@H+](C)C[C@H]32)c1 ZINC000497397468 564866680 /nfs/dbraw/zinc/86/66/80/564866680.db2.gz QEIITTUFEPONRT-MLGOLLRUSA-N 1 0 382.302 2.693 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)CSc2cccc(Br)c2)CC12CCOCC2 ZINC000582904252 564867045 /nfs/dbraw/zinc/86/70/45/564867045.db2.gz ITXLXDVKNAMJPL-ZDUSSCGKSA-N 1 0 399.354 2.755 20 0 GFADRO C[NH+](C)[C@@]1(CNC(=O)NCc2ccc(Br)c(F)c2)CCSC1 ZINC000497500163 564869395 /nfs/dbraw/zinc/86/93/95/564869395.db2.gz CVKXGUWMGFYYJO-OAHLLOKOSA-N 1 0 390.322 2.825 20 0 GFADRO COc1ccc(CN2CCC(NS(=O)(=O)c3cccs3)CC2)c(F)c1 ZINC000582967808 564869972 /nfs/dbraw/zinc/86/99/72/564869972.db2.gz ABMNEOAZMHIEIF-UHFFFAOYSA-N 1 0 384.498 2.839 20 0 GFADRO Cc1ccc(Br)c(S(=O)(=O)NCC[N@H+]2CCC[C@@H](C)C2)c1 ZINC000497534677 564870308 /nfs/dbraw/zinc/87/03/08/564870308.db2.gz KZHLODUWGFOCRS-CYBMUJFWSA-N 1 0 375.332 2.768 20 0 GFADRO Cc1c(S(=O)(=O)N2CCC(CC[NH3+])CC2)cnn1-c1ccc(Cl)cc1 ZINC000583031121 564872400 /nfs/dbraw/zinc/87/24/00/564872400.db2.gz YMNOSJXICHSLET-UHFFFAOYSA-N 1 0 382.917 2.584 20 0 GFADRO CCOc1cc(C[NH2+]Cc2ccc(C(N)=O)cc2)cc(Br)c1O ZINC000497673912 564873605 /nfs/dbraw/zinc/87/36/05/564873605.db2.gz GSESFZXCLUVLJV-UHFFFAOYSA-N 1 0 379.254 2.942 20 0 GFADRO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCc1cc(Br)cc2c1OCC2 ZINC000463254552 564874592 /nfs/dbraw/zinc/87/45/92/564874592.db2.gz FRQKHPFVKSOUFE-WBMJQRKESA-N 1 0 394.313 2.762 20 0 GFADRO COC(=O)CC1CC[NH+](CC(=O)N[C@H](C)c2ccc(Br)cc2)CC1 ZINC000497732823 564874674 /nfs/dbraw/zinc/87/46/74/564874674.db2.gz RNASBQRJOCJVCP-CYBMUJFWSA-N 1 0 397.313 2.901 20 0 GFADRO CC(C)[C@@H]([NH2+][C@@H](C)C(=O)N(C)[C@H]1CCS(=O)(=O)C1)c1ccc(Cl)cc1 ZINC000557756409 564875312 /nfs/dbraw/zinc/87/53/12/564875312.db2.gz HTRKXJUELOLBIL-RRQGHBQHSA-N 1 0 386.945 2.661 20 0 GFADRO CC(C)[C@@H]([NH2+][C@@H](C)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)c1ccc(Cl)cc1 ZINC000557756407 564875335 /nfs/dbraw/zinc/87/53/35/564875335.db2.gz HTRKXJUELOLBIL-IAOVAPTHSA-N 1 0 386.945 2.661 20 0 GFADRO C[C@@H]1COCCN1C1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000583093904 564875575 /nfs/dbraw/zinc/87/55/75/564875575.db2.gz FGZICXUGBMWJLK-GFCCVEGCSA-N 1 0 393.336 2.867 20 0 GFADRO O=C([C@@H]1CCc2cc(Br)ccc21)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000583085526 564875691 /nfs/dbraw/zinc/87/56/91/564875691.db2.gz GRSCOBJVHQLGCI-RDTXWAMCSA-N 1 0 393.325 2.660 20 0 GFADRO C[C@H]([NH2+][C@H]1CCN(C2CC2)C1=O)c1ccc(Br)cc1OCCCO ZINC000463358583 564876364 /nfs/dbraw/zinc/87/63/64/564876364.db2.gz FIXFYHVNKSSPTP-LRDDRELGSA-N 1 0 397.313 2.624 20 0 GFADRO O=S(=O)(NCCC[NH+]1CCCCC1)c1c(F)cccc1OC(F)(F)F ZINC000557789450 564876714 /nfs/dbraw/zinc/87/67/14/564876714.db2.gz BRADLDHGSFTILI-UHFFFAOYSA-N 1 0 384.395 2.879 20 0 GFADRO C[C@@H]([NH2+]CCc1ccnn1C)c1ccc(Br)cc1OCCCO ZINC000463363692 564877197 /nfs/dbraw/zinc/87/71/97/564877197.db2.gz BTTXJCRODMQRRS-CYBMUJFWSA-N 1 0 382.302 2.837 20 0 GFADRO CS[C@H]1CN(C(=O)CCOc2cccc(Br)c2)C[C@H]1[NH+](C)C ZINC000497801710 564877525 /nfs/dbraw/zinc/87/75/25/564877525.db2.gz AEWARIJOCBPHCK-CABCVRRESA-N 1 0 387.343 2.722 20 0 GFADRO Cc1nc(CNC(=O)NC[C@@H]2[NH2+]CCc3ccccc32)sc1Br ZINC000583133307 564877790 /nfs/dbraw/zinc/87/77/90/564877790.db2.gz ISKQPCWRQUJXIC-ZDUSSCGKSA-N 1 0 395.326 2.900 20 0 GFADRO C[C@H](CCn1cccn1)[NH2+]CCCNC(=O)c1ccc(Br)cc1 ZINC000497854530 564878068 /nfs/dbraw/zinc/87/80/68/564878068.db2.gz UXFLSVSQGUMATB-CQSZACIVSA-N 1 0 379.302 2.834 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)Cc2cccc(Br)c2)[C@@H](C)C1 ZINC000557825515 564878539 /nfs/dbraw/zinc/87/85/39/564878539.db2.gz GBIFXFMERSFISY-XJKSGUPXSA-N 1 0 389.359 2.941 20 0 GFADRO CC[C@@H](C)[C@H](NC(=O)C[N@H+](C)CCc1cccc(Br)c1)C(=O)OC ZINC000463415734 564880323 /nfs/dbraw/zinc/88/03/23/564880323.db2.gz RIJKUVMTSUCDII-DYVFJYSZSA-N 1 0 399.329 2.627 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000583198260 564880441 /nfs/dbraw/zinc/88/04/41/564880441.db2.gz RGVIKHWHTHCDKB-UHFFFAOYSA-N 1 0 389.297 2.911 20 0 GFADRO CC(C)CNC(=O)NC(=O)[C@@H](C)[N@H+](C)CCc1cccc(Br)c1 ZINC000463425062 564880665 /nfs/dbraw/zinc/88/06/65/564880665.db2.gz RENXEUHCFBMEBX-CYBMUJFWSA-N 1 0 384.318 2.794 20 0 GFADRO CC(C)(C[NH2+]C1CCC2(CC1)NC(=O)NC2=O)c1ccccc1Br ZINC000557865970 564883868 /nfs/dbraw/zinc/88/38/68/564883868.db2.gz ZQYJTLLSHQGCDI-UHFFFAOYSA-N 1 0 394.313 2.837 20 0 GFADRO CN(CCn1cc(Br)cn1)[C@H]1CCCN(c2ccccc2F)C1=O ZINC000583286947 564884217 /nfs/dbraw/zinc/88/42/17/564884217.db2.gz LQNDIFZJJXSNJJ-INIZCTEOSA-N 1 0 395.276 2.912 20 0 GFADRO CC[S@](=O)[C@H]1CCC[C@@H](NC(=O)[C@@H]2C[NH2+]C[C@H]2c2ccc(Cl)cc2)C1 ZINC000583330253 564886540 /nfs/dbraw/zinc/88/65/40/564886540.db2.gz RXSHPVBZASLKPI-ZNHCOGEQSA-N 1 0 382.957 2.839 20 0 GFADRO COC(=O)C[C@]1([NH2+]Cc2ccc(Br)c3cccnc23)CCOC1 ZINC000463699672 564888337 /nfs/dbraw/zinc/88/83/37/564888337.db2.gz RLTIDIKYNQEDFV-QGZVFWFLSA-N 1 0 379.254 2.809 20 0 GFADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)Nc1nc(-c2ccc(C)s2)cs1 ZINC000498111790 564888599 /nfs/dbraw/zinc/88/85/99/564888599.db2.gz NARLEZBDCTTWGG-NSHDSACASA-N 1 0 380.539 2.965 20 0 GFADRO COc1ccc(CCC(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)cc1Br ZINC000498110772 564888617 /nfs/dbraw/zinc/88/86/17/564888617.db2.gz TYYRTBBZRXTBSM-AWEZNQCLSA-N 1 0 381.314 2.991 20 0 GFADRO C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](c1ccc(Cl)cc1Cl)N1CCOCC1 ZINC000463810825 564890857 /nfs/dbraw/zinc/89/08/57/564890857.db2.gz KRXOSDARXQBVRA-PBHICJAKSA-N 1 0 386.323 2.577 20 0 GFADRO C[C@]1([NH3+])CCCC[C@@H]1C(=O)NCCCNC(=O)c1cccc(Br)c1 ZINC000498207797 564892009 /nfs/dbraw/zinc/89/20/09/564892009.db2.gz KFVKCLZDLIBAEN-QAPCUYQASA-N 1 0 396.329 2.593 20 0 GFADRO [NH3+][C@@H](CC(F)F)C(=O)NCC1(c2ccc(Br)cc2)CCOCC1 ZINC000498212565 564892107 /nfs/dbraw/zinc/89/21/07/564892107.db2.gz QEAIOQKBQBBBHB-ZDUSSCGKSA-N 1 0 391.256 2.596 20 0 GFADRO CC(C)CS(=O)(=O)CCC(=O)NC[C@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000583445427 564892223 /nfs/dbraw/zinc/89/22/23/564892223.db2.gz LOASZNPTYMIAPK-MRXNPFEDSA-N 1 0 388.961 2.562 20 0 GFADRO Cc1cc(NC(=O)c2ccc(Br)cn2)n(C2CC[NH+](C)CC2)n1 ZINC000530710213 564892494 /nfs/dbraw/zinc/89/24/94/564892494.db2.gz CTAKOGSDUWBCOW-UHFFFAOYSA-N 1 0 378.274 2.868 20 0 GFADRO CC[NH+]1CCC(NC(=O)C[C@@H](NC(C)=O)c2ccc(Br)cc2)CC1 ZINC000498232033 564892837 /nfs/dbraw/zinc/89/28/37/564892837.db2.gz SIJOHCHQQSVJBW-QGZVFWFLSA-N 1 0 396.329 2.617 20 0 GFADRO COc1cc(Br)c(C[NH2+][C@@H]2CCC[C@@H]3CN(C(C)=O)C[C@H]32)cc1O ZINC000583468105 564893292 /nfs/dbraw/zinc/89/32/92/564893292.db2.gz HIPTWKFNDUXENL-XNRPHZJLSA-N 1 0 397.313 2.900 20 0 GFADRO COCCN(CC[NH+](C)C)Cc1cc(Br)c2c(c1)OCCCO2 ZINC000583468249 564893376 /nfs/dbraw/zinc/89/33/76/564893376.db2.gz MTTKZDVIWXBUBH-UHFFFAOYSA-N 1 0 387.318 2.620 20 0 GFADRO O=C(NCCCn1cc(Br)cn1)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000498285285 564894632 /nfs/dbraw/zinc/89/46/32/564894632.db2.gz MKPZNFGQVFMMAV-INIZCTEOSA-N 1 0 398.349 2.599 20 0 GFADRO O=C1C[C@H](C[NH2+]Cc2cnn(-c3ccc(Br)cc3)c2)CN1C1CC1 ZINC000583504483 564895117 /nfs/dbraw/zinc/89/51/17/564895117.db2.gz SHNKUGHJNGPSRN-CYBMUJFWSA-N 1 0 389.297 2.735 20 0 GFADRO O=C(Nc1cccc(C[NH+]2CCC(O)CC2)c1)c1cc(Br)c[nH]1 ZINC000530778835 564895343 /nfs/dbraw/zinc/89/53/43/564895343.db2.gz JCVRKQPRIVJWBE-UHFFFAOYSA-N 1 0 378.270 2.986 20 0 GFADRO O=C(NCCCC[NH+]1CCOCC1)[C@H]1C[C@H]1c1ccc(Br)cc1 ZINC000498428774 564898453 /nfs/dbraw/zinc/89/84/53/564898453.db2.gz GSXBUZODHBQYPI-IRXDYDNUSA-N 1 0 381.314 2.781 20 0 GFADRO CC[NH+](CC)CCS(=O)(=O)N[C@@H]1C[C@@H]1c1cccc(Br)c1 ZINC000558472941 564902379 /nfs/dbraw/zinc/90/23/79/564902379.db2.gz RTLSGYWMDFEIBT-HUUCEWRRSA-N 1 0 375.332 2.566 20 0 GFADRO CC[N@@H+]1C[C@@H](C)N(C(=O)CCNC(=O)c2ccc(Br)cc2)C[C@H]1C ZINC000498572249 564902908 /nfs/dbraw/zinc/90/29/08/564902908.db2.gz YHODWALDDSHTIS-ZIAGYGMSSA-N 1 0 396.329 2.510 20 0 GFADRO COC[C@H](C)OC[C@@H](O)C[NH2+]CC1(c2cccc(Br)c2)CCC1 ZINC000583688616 564903172 /nfs/dbraw/zinc/90/31/72/564903172.db2.gz RWQYZCMGUBISKL-YOEHRIQHSA-N 1 0 386.330 2.873 20 0 GFADRO O=C1CCCCN1CCC[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Cl ZINC000583688457 564903406 /nfs/dbraw/zinc/90/34/06/564903406.db2.gz JZZCNEUAVYLNLT-CQSZACIVSA-N 1 0 375.296 2.725 20 0 GFADRO CC[NH+](CC)CCS(=O)(=O)N[C@H]1CSc2ccc(Br)cc21 ZINC000558488270 564903558 /nfs/dbraw/zinc/90/35/58/564903558.db2.gz ORNFRFBNKHFQAE-ZDUSSCGKSA-N 1 0 393.372 2.857 20 0 GFADRO CN(CCOc1ccc(Br)cc1)C(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000531245531 564904449 /nfs/dbraw/zinc/90/44/49/564904449.db2.gz VGCKLUIYJMAAJY-AWEZNQCLSA-N 1 0 384.318 2.811 20 0 GFADRO O=C(NC1(c2cccc(Br)c2)CC1)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000583746937 564904991 /nfs/dbraw/zinc/90/49/91/564904991.db2.gz ATHCVNCHCWKAIQ-INIZCTEOSA-N 1 0 389.297 2.989 20 0 GFADRO CC[NH+](CC)CCNC(=O)[C@@H]1CCCN1C(=O)c1ccc(Br)cc1 ZINC000498672088 564905338 /nfs/dbraw/zinc/90/53/38/564905338.db2.gz LPTMNAKOBSASEG-INIZCTEOSA-N 1 0 396.329 2.512 20 0 GFADRO CC[NH+](CC)CCNC(=O)C(=O)Nc1cc(F)c(Br)c(Cl)c1 ZINC000498666210 564905476 /nfs/dbraw/zinc/90/54/76/564905476.db2.gz HGWYUZFZADSMBV-UHFFFAOYSA-N 1 0 394.672 2.638 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)C(=O)Nc1cc(Cl)ccc1C(F)(F)F)C1CC1 ZINC000498689630 564905842 /nfs/dbraw/zinc/90/58/42/564905842.db2.gz VDOMEBBMRHQSBB-CYBMUJFWSA-N 1 0 377.794 2.754 20 0 GFADRO Cc1cc(N2CCC[C@H]([N@@H+]3CC[C@H](C)[C@H](O)C3)C2=O)ccc1Br ZINC000464492866 564908216 /nfs/dbraw/zinc/90/82/16/564908216.db2.gz DOLNBLMLWCSLMM-AFAVFJNCSA-N 1 0 381.314 2.956 20 0 GFADRO O[C@H](C[NH2+]CCn1cnc2ccccc21)COc1ccc(Br)cc1 ZINC000558598180 564909069 /nfs/dbraw/zinc/90/90/69/564909069.db2.gz NBLRXHODKLTVFR-OAHLLOKOSA-N 1 0 390.281 2.828 20 0 GFADRO COC[C@](C)(NC(=O)c1ccc(C[NH+]2CCSCC2)cc1)C(F)(F)F ZINC000464505681 564909191 /nfs/dbraw/zinc/90/91/91/564909191.db2.gz FBMGOBIPHAYRRB-INIZCTEOSA-N 1 0 376.444 2.933 20 0 GFADRO CC[N@@H+]1C[C@@H](C)N(CC(=O)N(C)Cc2cc(Br)cs2)C[C@@H]1C ZINC000498913557 564913313 /nfs/dbraw/zinc/91/33/13/564913313.db2.gz ACTFSDULISSNNL-QWHCGFSZSA-N 1 0 388.375 2.884 20 0 GFADRO [NH3+][C@@H](CC(F)F)C(=O)N1CCC(Oc2cccc(Br)c2)CC1 ZINC000583933276 564913780 /nfs/dbraw/zinc/91/37/80/564913780.db2.gz LMQLJBKCBKDXOI-ZDUSSCGKSA-N 1 0 377.229 2.801 20 0 GFADRO CNC(=O)[C@H](C)C[N@H+](C)[C@@H]1CCCN(c2ccc(Br)c(C)c2)C1=O ZINC000464686672 564915743 /nfs/dbraw/zinc/91/57/43/564915743.db2.gz IKBKOHLLCJJPIR-CZUORRHYSA-N 1 0 396.329 2.567 20 0 GFADRO CCS[C@H]1CC[C@H]([N@H+](C)CC(=O)Nc2ccccc2SCC(N)=O)C1 ZINC000464768317 564917665 /nfs/dbraw/zinc/91/76/65/564917665.db2.gz BRSGDJLNYIPPPM-KBPBESRZSA-N 1 0 381.567 2.809 20 0 GFADRO COc1ccsc1C[NH2+]CC1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000531698149 564918486 /nfs/dbraw/zinc/91/84/86/564918486.db2.gz CGCRNZBGOYCESU-UHFFFAOYSA-N 1 0 380.535 2.947 20 0 GFADRO CC[NH+](CC)[C@H]1CCN(C(=O)Cc2cc3c(cc2Br)OCCO3)C1 ZINC000464968633 564921434 /nfs/dbraw/zinc/92/14/34/564921434.db2.gz PEGGRMBUDPCBGK-AWEZNQCLSA-N 1 0 397.313 2.706 20 0 GFADRO CC(C)[NH+]1CCC(N(C)C(=O)c2cc(Br)cnc2N(C)C)CC1 ZINC000499267638 564922000 /nfs/dbraw/zinc/92/20/00/564922000.db2.gz CCGWXAJUFCURKG-UHFFFAOYSA-N 1 0 383.334 2.855 20 0 GFADRO C[C@H](CNC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1)c1c(Cl)cccc1Cl ZINC000584164187 564923489 /nfs/dbraw/zinc/92/34/89/564923489.db2.gz IUROZKULPQTMFN-UPJWGTAASA-N 1 0 386.323 2.812 20 0 GFADRO CCC[C@@H](C)[C@H](CO)[NH2+]CC(=O)Nc1ccc(I)cc1 ZINC000584175686 564923840 /nfs/dbraw/zinc/92/38/40/564923840.db2.gz IKFHEUPBDXRIEI-RISCZKNCSA-N 1 0 390.265 2.616 20 0 GFADRO CCC[C@H](C)[C@@H](CO)[NH2+]CC(=O)Nc1ccc(I)cc1 ZINC000584175687 564924057 /nfs/dbraw/zinc/92/40/57/564924057.db2.gz IKFHEUPBDXRIEI-SMDDNHRTSA-N 1 0 390.265 2.616 20 0 GFADRO C[C@@H](C[NH2+]CCS(=O)(=O)c1ccc(F)cc1)N1CCc2sccc2C1 ZINC000584212071 564925399 /nfs/dbraw/zinc/92/53/99/564925399.db2.gz DMQGQDXSRSUTET-AWEZNQCLSA-N 1 0 382.526 2.697 20 0 GFADRO CC[C@H](C(=O)N1CCN(Cc2ccc(Br)c(F)c2)CC1)[NH+](C)C ZINC000531986370 564925815 /nfs/dbraw/zinc/92/58/15/564925815.db2.gz BQWJLXGOKJPBPC-MRXNPFEDSA-N 1 0 386.309 2.573 20 0 GFADRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NCCOc1cccc(Br)c1 ZINC000532063924 564927752 /nfs/dbraw/zinc/92/77/52/564927752.db2.gz FZGRBVXVVAUWAQ-MLGOLLRUSA-N 1 0 382.302 2.610 20 0 GFADRO CC[NH+](CC)CC[C@H](CO)NC(=O)Nc1cc(Br)c(F)cc1F ZINC000499481380 564929173 /nfs/dbraw/zinc/92/91/73/564929173.db2.gz XGOOXTQYZSFAHY-SNVBAGLBSA-N 1 0 394.260 2.942 20 0 GFADRO C[C@@H](CNC(=O)c1ccc(F)c(I)c1)[NH+]1CCCC1 ZINC000532185414 564931505 /nfs/dbraw/zinc/93/15/05/564931505.db2.gz JWZZTWDGBMYBSX-JTQLQIEISA-N 1 0 376.213 2.644 20 0 GFADRO C[C@@H](CNC(=O)C(=O)N[C@@H](C)c1cc(F)c(Cl)cc1Cl)[N@H+](C)C1CC1 ZINC000559405721 564932307 /nfs/dbraw/zinc/93/23/07/564932307.db2.gz NAQGUFFCTILTOZ-UWVGGRQHSA-N 1 0 390.286 2.909 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CNC(=O)N[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000465931531 564934605 /nfs/dbraw/zinc/93/46/05/564934605.db2.gz GRXOLOKJCUVMNM-RDJZCZTQSA-N 1 0 395.345 2.811 20 0 GFADRO C[C@H](CNC(=O)N1CCC[C@H]([NH+](C)C)C1)Oc1cccc(Br)c1 ZINC000466295222 564936949 /nfs/dbraw/zinc/93/69/49/564936949.db2.gz CSQGBRUVRJOACI-HIFRSBDPSA-N 1 0 384.318 2.952 20 0 GFADRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)c1cc(Br)cnc1N(C)C ZINC000499820271 564937223 /nfs/dbraw/zinc/93/72/23/564937223.db2.gz VSSYONAFWYCWJN-BETUJISGSA-N 1 0 383.334 2.903 20 0 GFADRO CN(Cc1cc(Br)cs1)C(=O)CN(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000532414944 564937310 /nfs/dbraw/zinc/93/73/10/564937310.db2.gz OYTWKVTWRQQXGX-AWEZNQCLSA-N 1 0 386.359 2.638 20 0 GFADRO O[C@]1(CNCc2cncc(Br)c2)CC[N@H+](Cc2ccccc2)C1 ZINC000466375785 564939064 /nfs/dbraw/zinc/93/90/64/564939064.db2.gz YOKOLRZVDHLCST-SFHVURJKSA-N 1 0 376.298 2.571 20 0 GFADRO COCC(=O)N1CCC([NH2+][C@H](C)Cc2ccc(Br)cc2F)CC1 ZINC000532511403 564939764 /nfs/dbraw/zinc/93/97/64/564939764.db2.gz ADNOTKSUGPWYKK-GFCCVEGCSA-N 1 0 387.293 2.746 20 0 GFADRO CC[NH+](CC)CCNC(=O)C1(c2ccc(I)cc2)CC1 ZINC000499942238 564940904 /nfs/dbraw/zinc/94/09/04/564940904.db2.gz XYBYMRIYGJKXHR-UHFFFAOYSA-N 1 0 386.277 2.781 20 0 GFADRO C[C@H]([NH2+]C[C@H](CO)Cc1ccccc1Br)C(C)(C)n1cncn1 ZINC000559901416 564941298 /nfs/dbraw/zinc/94/12/98/564941298.db2.gz TYJSKSGMKQZHAP-UONOGXRCSA-N 1 0 381.318 2.605 20 0 GFADRO C[C@@H]([NH2+]C[C@@H](CO)Cc1ccccc1Br)C(C)(C)n1cncn1 ZINC000559901415 564941585 /nfs/dbraw/zinc/94/15/85/564941585.db2.gz TYJSKSGMKQZHAP-KGLIPLIRSA-N 1 0 381.318 2.605 20 0 GFADRO Cc1sc2nc(C)nc(Sc3nnnn3C[C@H]3CC[N@@H+](C)C3)c2c1C ZINC000532613904 564941874 /nfs/dbraw/zinc/94/18/74/564941874.db2.gz HTRVMOOICZIRAQ-LBPRGKRZSA-N 1 0 375.527 2.706 20 0 GFADRO CC[NH+](CC)CCCNC(=O)c1cccc(F)c1I ZINC000532754974 564944370 /nfs/dbraw/zinc/94/43/70/564944370.db2.gz FXQNUAYRHMSBPU-UHFFFAOYSA-N 1 0 378.229 2.892 20 0 GFADRO C[C@@H](CNC(=O)c1cccc(F)c1I)[N@H+](C)C1CC1 ZINC000532754676 564944451 /nfs/dbraw/zinc/94/44/51/564944451.db2.gz RMCNSNTVSVROFN-VIFPVBQESA-N 1 0 376.213 2.643 20 0 GFADRO OCCOc1ccc(C[NH2+]Cc2cccc(I)c2)cc1 ZINC000560049397 564947212 /nfs/dbraw/zinc/94/72/12/564947212.db2.gz UWNTUIXUDQXAAN-UHFFFAOYSA-N 1 0 383.229 2.952 20 0 GFADRO O=c1cc(C[NH+]2CCC(OCC3CC3)CC2)nc2ccc(Br)cn12 ZINC000532988951 564951963 /nfs/dbraw/zinc/95/19/63/564951963.db2.gz TWJTWDVMNYESLS-UHFFFAOYSA-N 1 0 392.297 2.848 20 0 GFADRO CCS(=O)(=O)N1CC(C[NH2+]C/C(C)=C\c2ccccc2C(F)(F)F)C1 ZINC000500399613 564952234 /nfs/dbraw/zinc/95/22/34/564952234.db2.gz FWOMTQPPJHGBHC-JYRVWZFOSA-N 1 0 376.444 2.980 20 0 GFADRO C[N@@H+]1CCN(CC(=O)NCc2ccc(Cl)s2)C[C@H]1Cc1ccccc1 ZINC000560169169 564952828 /nfs/dbraw/zinc/95/28/28/564952828.db2.gz LBFOQZHHEPJNLF-MRXNPFEDSA-N 1 0 377.941 2.876 20 0 GFADRO O=C1CC[C@H]([NH2+]CC[S@](=O)c2cc(Cl)ccc2Cl)[C@H](C2CC2)N1 ZINC000560183944 564952907 /nfs/dbraw/zinc/95/29/07/564952907.db2.gz LEXYZTZSLRZCDI-BSGVFPLJSA-N 1 0 375.321 2.748 20 0 GFADRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1ccc(I)c(F)c1 ZINC000467027489 564953101 /nfs/dbraw/zinc/95/31/01/564953101.db2.gz YEZKUMJUAYZVOY-XPTSAGLGSA-N 1 0 388.224 2.643 20 0 GFADRO CSc1ccccc1[C@@H](C)[NH2+]Cc1cnn([C@@]2(C)CCS(=O)(=O)C2)c1 ZINC000500452449 564953739 /nfs/dbraw/zinc/95/37/39/564953739.db2.gz QCYVOFSRNKQIBN-KDOFPFPSSA-N 1 0 379.551 2.990 20 0 GFADRO C[C@@H](CNC(=O)C(=O)NCC1([NH+](C)C)CCC1)c1c(Cl)cccc1Cl ZINC000500436243 564953860 /nfs/dbraw/zinc/95/38/60/564953860.db2.gz QKDYQIIJDPOAGJ-LBPRGKRZSA-N 1 0 386.323 2.814 20 0 GFADRO CS(=O)(=O)NC[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(Cl)c(Br)c1 ZINC000500472691 564954909 /nfs/dbraw/zinc/95/49/09/564954909.db2.gz AQMJLXTVGSXFGE-SMDDNHRTSA-N 1 0 395.750 2.910 20 0 GFADRO Cc1cc(C[NH2+][C@@H]2CCC[C@H]2CNS(C)(=O)=O)sc1Br ZINC000500564657 564956969 /nfs/dbraw/zinc/95/69/69/564956969.db2.gz LWFJYIXPPPDNIM-CMPLNLGQSA-N 1 0 381.361 2.627 20 0 GFADRO CN1CC[NH+](CCCCNC(=O)[C@H]2C[C@@H]2c2ccc(Br)cc2)CC1 ZINC000560361195 564958383 /nfs/dbraw/zinc/95/83/83/564958383.db2.gz OXWOFXJTHFLDCL-MSOLQXFVSA-N 1 0 394.357 2.696 20 0 GFADRO O=C(Nc1cc(Cl)ccc1Cl)N1CC[NH+]([C@@H]2CCNC(=O)CC2)CC1 ZINC000560384097 564959370 /nfs/dbraw/zinc/95/93/70/564959370.db2.gz IOSQNQWVFUYKOX-ZDUSSCGKSA-N 1 0 385.295 2.812 20 0 GFADRO C[N@H+](CCc1ccc(Br)cc1)CC(=O)NC(=O)NC1CCCC1 ZINC000533417434 564962406 /nfs/dbraw/zinc/96/24/06/564962406.db2.gz SPMKPZBZAICNTI-UHFFFAOYSA-N 1 0 382.302 2.692 20 0 GFADRO O=S(=O)(NCCC[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)c1ccccc1Cl ZINC000467413609 564962603 /nfs/dbraw/zinc/96/26/03/564962603.db2.gz YFKNJXCPVWNUPJ-XKQJLSEDSA-N 1 0 384.929 2.556 20 0 GFADRO CC[N@@H+]1CC[C@H](Nc2cnc(N3CCOCC3)c(Br)c2)[C@@H](C)C1 ZINC000467435304 564963724 /nfs/dbraw/zinc/96/37/24/564963724.db2.gz RZPNXSJEXDFYCT-BBRMVZONSA-N 1 0 383.334 2.823 20 0 GFADRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1S(=O)(=O)c1ccc(OC(F)(F)F)cc1 ZINC000560472138 564963855 /nfs/dbraw/zinc/96/38/55/564963855.db2.gz IZQXYDMZLTWETA-OLZOCXBDSA-N 1 0 378.416 2.833 20 0 GFADRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1cccc(F)c1I ZINC000533536009 564964830 /nfs/dbraw/zinc/96/48/30/564964830.db2.gz XSGHEJDVBMYGGD-NOZJJQNGSA-N 1 0 388.224 2.643 20 0 GFADRO CCOc1c(Cl)cc(NC(=O)C(=O)N[C@H](C)CC[NH+](C)C)cc1Cl ZINC000467613090 564967930 /nfs/dbraw/zinc/96/79/30/564967930.db2.gz KOMUUYMVUCRWCI-SNVBAGLBSA-N 1 0 376.284 2.787 20 0 GFADRO CCC[N@H+](C)CC(=O)N[C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000467691678 564970281 /nfs/dbraw/zinc/97/02/81/564970281.db2.gz DAUOBWKQVQTMJE-LBPRGKRZSA-N 1 0 378.826 2.791 20 0 GFADRO C[C@@H](CNC(=O)[C@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1)C[NH+](C)C ZINC000560707278 564973158 /nfs/dbraw/zinc/97/31/58/564973158.db2.gz QBAIEHWBOURTLZ-BLLLJJGKSA-N 1 0 386.323 2.912 20 0 GFADRO Cc1c(C(=O)NC[C@H](C)C[NH+](C)C)cnn1-c1ccc(Br)cc1 ZINC000560707865 564973252 /nfs/dbraw/zinc/97/32/52/564973252.db2.gz ZYDICAWHBMDOHK-LBPRGKRZSA-N 1 0 379.302 2.871 20 0 GFADRO O=C(CCc1cc(Br)ccc1F)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000533928100 564976272 /nfs/dbraw/zinc/97/62/72/564976272.db2.gz PLMAEBORSACUBR-AWEZNQCLSA-N 1 0 399.304 2.702 20 0 GFADRO CN(CC[NH+]1CCCC1)C(=O)C(=O)N[C@@H]1CCSc2ccc(Cl)cc21 ZINC000560847427 564978290 /nfs/dbraw/zinc/97/82/90/564978290.db2.gz GNOQZMVBZIMUBH-OAHLLOKOSA-N 1 0 381.929 2.547 20 0 GFADRO CC[C@@]1(C)CC[N@H+](CC(=O)Nc2ccc(Cl)c(S(=O)(=O)N(C)C)c2)C1 ZINC000468135896 564978612 /nfs/dbraw/zinc/97/86/12/564978612.db2.gz IDGPDAJEUZJWHP-KRWDZBQOSA-N 1 0 387.933 2.651 20 0 GFADRO CC[NH+]1CCN([C@@H](C)CNC(=O)c2ccc(Br)c(C)c2F)CC1 ZINC000468247678 564980756 /nfs/dbraw/zinc/98/07/56/564980756.db2.gz TXVABOASDHJWOY-LBPRGKRZSA-N 1 0 386.309 2.652 20 0 GFADRO CCN(C(=O)CN1C[C@@H](SC)[C@@H]([NH+](C)C)C1)c1nc2ccccc2s1 ZINC000534217136 564982844 /nfs/dbraw/zinc/98/28/44/564982844.db2.gz FTWJEWOTZXWDKC-GOEBONIOSA-N 1 0 378.567 2.627 20 0 GFADRO C[N@H+](CC(=O)N[C@@H]1COc2cc(F)c(Br)cc21)[C@H]1CCSC1 ZINC000501676082 564984102 /nfs/dbraw/zinc/98/41/02/564984102.db2.gz CLYTTYWZAXFOGB-TVQRCGJNSA-N 1 0 389.290 2.575 20 0 GFADRO O=C(Nc1nc2c(s1)CSCC2)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000561137628 564984684 /nfs/dbraw/zinc/98/46/84/564984684.db2.gz MPOZNQCAEGSSIZ-GOSISDBHSA-N 1 0 375.519 2.508 20 0 GFADRO C[C@H](C(=O)N1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1)[NH+]1CC(C)C1 ZINC000561134707 564984736 /nfs/dbraw/zinc/98/47/36/564984736.db2.gz BKWMOSTWYSOUGX-CYBMUJFWSA-N 1 0 384.307 2.618 20 0 GFADRO CCC[N@@H+]1CCC[C@@H]1C(=O)NCc1nc(-c2cccc(Br)c2)no1 ZINC000468595445 564987004 /nfs/dbraw/zinc/98/70/04/564987004.db2.gz KQBUOILKKJJYFH-CQSZACIVSA-N 1 0 393.285 2.990 20 0 GFADRO COc1cc(Br)ccc1[C@H](C)NC(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000561203384 564987611 /nfs/dbraw/zinc/98/76/11/564987611.db2.gz XBIMRNWNOVCUAP-RWMBFGLXSA-N 1 0 382.302 2.770 20 0 GFADRO Cc1csc(C(=O)NC[C@@H](C2CC2)[NH+](C)C)c1I ZINC000468645826 564989338 /nfs/dbraw/zinc/98/93/38/564989338.db2.gz SPSTXNWKWJFXGS-JTQLQIEISA-N 1 0 378.279 2.731 20 0 GFADRO COc1cc(Br)c(NC(=O)NCCNc2cc[nH+]cc2)cc1OC ZINC000534525935 564990534 /nfs/dbraw/zinc/99/05/34/564990534.db2.gz GJSPMNBDANODSM-UHFFFAOYSA-N 1 0 395.257 2.517 20 0 GFADRO OC[C@@]1([C@@H]([NH2+]Cc2cnc3ccc(Br)cn23)C2CC2)CCCO1 ZINC000561320212 564990904 /nfs/dbraw/zinc/99/09/04/564990904.db2.gz DKSXTFRCQYCNOD-DLBZAZTESA-N 1 0 380.286 2.507 20 0 GFADRO COC(=O)c1csc(S(=O)(=O)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000502174544 564993346 /nfs/dbraw/zinc/99/33/46/564993346.db2.gz POZDCOLEKMWWDK-OKILXGFUSA-N 1 0 388.555 2.571 20 0 GFADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@H](C)c2cccc(Cl)c2Cl)C1 ZINC000502289263 564995619 /nfs/dbraw/zinc/99/56/19/564995619.db2.gz KUAZZTOQNAXEJF-OLZOCXBDSA-N 1 0 386.323 2.971 20 0 GFADRO C[N@H+](CCCO)C1CCN(C(=O)c2cc(Cl)ccc2OC(F)F)CC1 ZINC000534726309 564995756 /nfs/dbraw/zinc/99/57/56/564995756.db2.gz CWENGTTZZONGJX-UHFFFAOYSA-N 1 0 376.831 2.860 20 0 GFADRO CC[NH+](CC)C[C@H](C)NC(=O)[C@@H]1CC(=O)Nc2ccc(Br)cc21 ZINC000468863472 564996769 /nfs/dbraw/zinc/99/67/69/564996769.db2.gz FBZFJVGQAHLMFR-SMDDNHRTSA-N 1 0 382.302 2.721 20 0 GFADRO CC[NH+]1CCC(CCNS(=O)(=O)Cc2cccc(Br)c2)CC1 ZINC000561519781 564998791 /nfs/dbraw/zinc/99/87/91/564998791.db2.gz XLAOJCSIKLWUPO-UHFFFAOYSA-N 1 0 389.359 2.991 20 0 GFADRO CC(C)[N@@H+]1CCC[C@@H](NS(=O)(=O)Cc2cccc(Br)c2)C1 ZINC000561526488 564999468 /nfs/dbraw/zinc/99/94/68/564999468.db2.gz SFIJPZBBFIKALW-OAHLLOKOSA-N 1 0 375.332 2.741 20 0 GFADRO C[C@H](CC[NH+](C)C)NC(=O)CCOc1cccc(I)c1 ZINC000468938473 565000191 /nfs/dbraw/zinc/00/01/91/565000191.db2.gz LQDYIBHFAKLEFP-GFCCVEGCSA-N 1 0 390.265 2.517 20 0 GFADRO NC(=O)CCC1CC[NH+](CCC(=O)Nc2ccc(Br)cc2)CC1 ZINC000502507781 565000398 /nfs/dbraw/zinc/00/03/98/565000398.db2.gz PHHVIBGZISKNMT-UHFFFAOYSA-N 1 0 382.302 2.755 20 0 GFADRO O=S(=O)(C1CC[NH+](CCCOc2cccc(Cl)c2)CC1)N1CCCC1 ZINC000502504820 565000521 /nfs/dbraw/zinc/00/05/21/565000521.db2.gz BOOVJEKLWPWHNA-UHFFFAOYSA-N 1 0 386.945 2.999 20 0 GFADRO CN(CCOc1ccc(Br)cc1)CC1(CS(C)(=O)=O)CC1 ZINC000502685763 565003676 /nfs/dbraw/zinc/00/36/76/565003676.db2.gz VHMPLNWEYBLPIM-UHFFFAOYSA-N 1 0 376.316 2.585 20 0 GFADRO Cc1c2cccc(Br)c2oc1C(=O)N1CCN(CC[NH+](C)C)CC1 ZINC000561627742 565004190 /nfs/dbraw/zinc/00/41/90/565004190.db2.gz FQGLKYCNKRJRSH-UHFFFAOYSA-N 1 0 394.313 2.823 20 0 GFADRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+]CC(=O)Nc1c(Cl)cccc1C(F)(F)F ZINC000502866831 565007571 /nfs/dbraw/zinc/00/75/71/565007571.db2.gz IBVFIWMWWMKTRU-BXKDBHETSA-N 1 0 377.794 2.802 20 0 GFADRO Cc1cc(NC(=O)c2ncsc2Br)n(C2CC[NH+](C)CC2)n1 ZINC000561759893 565007854 /nfs/dbraw/zinc/00/78/54/565007854.db2.gz KZLFXRWUWDHNLT-UHFFFAOYSA-N 1 0 384.303 2.930 20 0 GFADRO COC(=O)[C@]1(C)C[N@H+](CC(=O)Nc2ccc(Br)c(C)c2)C[C@H]1C ZINC000503201198 565013809 /nfs/dbraw/zinc/01/38/09/565013809.db2.gz IGKFJQKRULANCU-SJKOYZFVSA-N 1 0 383.286 2.827 20 0 GFADRO Cc1cc(C)n2c(C[NH2+][C@@H](CO)c3ccc(Br)cc3)cnc2n1 ZINC000503274163 565017028 /nfs/dbraw/zinc/01/70/28/565017028.db2.gz YDURGWYAIFQWMJ-INIZCTEOSA-N 1 0 375.270 2.932 20 0 GFADRO COc1ccc([C@H]([NH2+]CCNC(=O)c2ccn[nH]2)C(C)C)c(Br)c1 ZINC000562097859 565018063 /nfs/dbraw/zinc/01/80/63/565018063.db2.gz SNOSGSDHLPCKDD-MRXNPFEDSA-N 1 0 395.301 2.898 20 0 GFADRO COc1ccc([C@@H]([NH2+]CCNC(=O)c2ccn[nH]2)C(C)C)c(Br)c1 ZINC000562097858 565018137 /nfs/dbraw/zinc/01/81/37/565018137.db2.gz SNOSGSDHLPCKDD-INIZCTEOSA-N 1 0 395.301 2.898 20 0 GFADRO Cc1ccc(Cl)c(S(=O)(=O)N(CC[NH+](C)C)CC(=O)OC(C)(C)C)c1 ZINC000535731105 565019136 /nfs/dbraw/zinc/01/91/36/565019136.db2.gz JKGYZCQKVWIOOY-UHFFFAOYSA-N 1 0 390.933 2.542 20 0 GFADRO CCS[C@@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl ZINC000503445267 565019377 /nfs/dbraw/zinc/01/93/77/565019377.db2.gz BXDRRFPTNKXJCN-DZGCQCFKSA-N 1 0 390.958 2.946 20 0 GFADRO CC[C@@H](C[N@H+](C)[C@H](C)C(=O)NC(=O)NC)Oc1ccc(Cl)c(Cl)c1 ZINC000469752554 565026440 /nfs/dbraw/zinc/02/64/40/565026440.db2.gz NVNWQHBNAFKCAO-MNOVXSKESA-N 1 0 376.284 2.927 20 0 GFADRO CC[NH+](CC)CCOCCNC(=O)c1c(F)ccc(C)c1Br ZINC000469783402 565027039 /nfs/dbraw/zinc/02/70/39/565027039.db2.gz MWTDJLGFLIJCOU-UHFFFAOYSA-N 1 0 375.282 2.985 20 0 GFADRO C[C@H](C(=O)Nc1cccc(Br)c1)[N@@H+]1CC[C@@H](c2nccn2C)C1 ZINC000536062050 565028110 /nfs/dbraw/zinc/02/81/10/565028110.db2.gz TZOBJFCHDPCIAE-CHWSQXEVSA-N 1 0 377.286 2.999 20 0 GFADRO C[C@H](C(=O)Nc1ccc(Br)cc1)[N@@H+]1CC[C@H](c2nccn2C)C1 ZINC000536067431 565029063 /nfs/dbraw/zinc/02/90/63/565029063.db2.gz QGMGZRJFBUXSPY-OLZOCXBDSA-N 1 0 377.286 2.999 20 0 GFADRO O[C@H](C[NH2+]Cc1ccc2c(c1)OCO2)COc1cc(F)cc(Br)c1 ZINC000562450030 565029997 /nfs/dbraw/zinc/02/99/97/565029997.db2.gz WGZGFHCWVHBZEK-CQSZACIVSA-N 1 0 398.228 2.846 20 0 GFADRO C[C@H](CO)[N@@H+]1CCCN(CCOc2ccc(Cl)cc2Br)CC1 ZINC000469852909 565030082 /nfs/dbraw/zinc/03/00/82/565030082.db2.gz ISECNELZKFIZCR-CYBMUJFWSA-N 1 0 391.737 2.870 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1ccc(Cl)cn1)c1ccc(Cl)cc1 ZINC000562486107 565030438 /nfs/dbraw/zinc/03/04/38/565030438.db2.gz PDCIBEPOZGCIAW-AWEZNQCLSA-N 1 0 381.263 2.746 20 0 GFADRO CS(=O)(=O)NC[C@H]1CCC[C@@H]1[NH2+]Cc1c(F)cccc1OC(F)(F)F ZINC000562509831 565031447 /nfs/dbraw/zinc/03/14/47/565031447.db2.gz NMKNKIQBPSZUES-MFKMUULPSA-N 1 0 384.395 2.532 20 0 GFADRO O=S1(=O)CCC[C@@H](C[NH2+]Cc2ccnc3c(Br)cccc23)C1 ZINC000562522012 565032330 /nfs/dbraw/zinc/03/23/30/565032330.db2.gz CNCHRHVTMSCVDP-LBPRGKRZSA-N 1 0 383.311 2.912 20 0 GFADRO C[C@@H](C[NH+](C)C)NC(=O)NCc1ccc(I)c(Cl)c1 ZINC000503997074 565032755 /nfs/dbraw/zinc/03/27/55/565032755.db2.gz AIDGONDFUGLCDO-VIFPVBQESA-N 1 0 395.672 2.694 20 0 GFADRO COC(=O)[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccc(Br)c(C)c2)[C@H]1C ZINC000469996652 565034761 /nfs/dbraw/zinc/03/47/61/565034761.db2.gz PPDCKUDCWYGJMU-SGMGOOAPSA-N 1 0 383.286 2.968 20 0 GFADRO CC[C@@H]([NH2+]Cc1cc(Br)c(OC)c(Br)c1)C(=O)NC ZINC000562659544 565038441 /nfs/dbraw/zinc/03/84/41/565038441.db2.gz CZWOXUXVWNEKBN-LLVKDONJSA-N 1 0 394.107 2.834 20 0 GFADRO C[C@]1(C[NH3+])CCN(C(=O)Nc2ccc(-c3ccc(Br)s3)nn2)C1 ZINC000562761828 565041277 /nfs/dbraw/zinc/04/12/77/565041277.db2.gz KTWNSYKPZYHOFO-OAHLLOKOSA-N 1 0 396.314 3.170 20 0 GFADRO C[C@@H](NC(=O)Cc1ccc(Cl)cc1Cl)C(=O)NCC[NH+]1CCCCC1 ZINC000562767646 565042338 /nfs/dbraw/zinc/04/23/38/565042338.db2.gz WTSNUGYNYZJJGO-CYBMUJFWSA-N 1 0 386.323 2.643 20 0 GFADRO CC(=O)Nc1ccc(S(=O)(=O)N2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1Cl ZINC000562841756 565044652 /nfs/dbraw/zinc/04/46/52/565044652.db2.gz RLPMZGPPXXDLAX-DLBZAZTESA-N 1 0 385.917 2.594 20 0 GFADRO COCC[C@H](Cc1cccc(Br)c1)C(=O)N1CC[C@@H]([NH3+])C[C@@H]1C ZINC000562971706 565050116 /nfs/dbraw/zinc/05/01/16/565050116.db2.gz UVDQPTMATPHRHQ-YSVLISHTSA-N 1 0 383.330 2.983 20 0 GFADRO COc1ccc2c(c1)CCCN(Cc1ccc(S(=O)(=O)N(C)C)s1)C2 ZINC000563024855 565052045 /nfs/dbraw/zinc/05/20/45/565052045.db2.gz DICBWJFXYCLDAC-UHFFFAOYSA-N 1 0 380.535 2.955 20 0 GFADRO CC[C@H]([NH2+]Cc1nnnn1-c1ccccc1Br)C1CCOCC1 ZINC000537221573 565055152 /nfs/dbraw/zinc/05/51/52/565055152.db2.gz WWCVFJSPRZDPQU-AWEZNQCLSA-N 1 0 380.290 2.720 20 0 GFADRO C[C@@H](c1ccccc1Br)N(C)C(=O)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O ZINC000563098305 565055183 /nfs/dbraw/zinc/05/51/83/565055183.db2.gz SAKNWWHGXSNZSD-FUDCBSFHSA-N 1 0 379.298 2.783 20 0 GFADRO CCOC[C@@H]1CCCC[N@@H+]1Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000563106684 565055984 /nfs/dbraw/zinc/05/59/84/565055984.db2.gz GTOOLHFWQWBPET-HNNXBMFYSA-N 1 0 380.286 2.848 20 0 GFADRO CCOC[C@H]1CCCC[N@@H+]1Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000563106685 565056009 /nfs/dbraw/zinc/05/60/09/565056009.db2.gz GTOOLHFWQWBPET-OAHLLOKOSA-N 1 0 380.286 2.848 20 0 GFADRO CC(C)[C@@H](CN(Cc1ccc(Cl)c(Cl)c1)C(=O)CNC(N)=O)[NH+](C)C ZINC000537270641 565056265 /nfs/dbraw/zinc/05/62/65/565056265.db2.gz GIYHZKVBRXNAAX-OAHLLOKOSA-N 1 0 389.327 2.577 20 0 GFADRO CC[C@@H]([NH2+]CC(=O)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1)C(C)(C)C ZINC000537288952 565056345 /nfs/dbraw/zinc/05/63/45/565056345.db2.gz BELJXSCFRQZKDF-GOEBONIOSA-N 1 0 386.583 2.678 20 0 GFADRO [NH3+][C@H]1CCC[C@H](CNS(=O)(=O)c2cc(Cl)ccc2Br)C1 ZINC000563130165 565056900 /nfs/dbraw/zinc/05/69/00/565056900.db2.gz UJVOABRAPCBYSH-ONGXEEELSA-N 1 0 381.723 2.898 20 0 GFADRO COCCOc1c(Cl)cc(NC(=O)C2(OC)CC[NH2+]CC2)cc1Cl ZINC000563160604 565057479 /nfs/dbraw/zinc/05/74/79/565057479.db2.gz OGJFHEMISVOGAA-UHFFFAOYSA-N 1 0 377.268 2.726 20 0 GFADRO C[NH+](C)CC1(C(=O)N2CCO[C@H](c3ccc(F)c(Br)c3)C2)CC1 ZINC000635813705 565076326 /nfs/dbraw/zinc/07/63/26/565076326.db2.gz FTYXQXFXCOMAJJ-HNNXBMFYSA-N 1 0 385.277 2.830 20 0 GFADRO C[C@@H]1C[C@@H]([NH2+]C[C@H](O)COc2ccc(Cl)cc2Br)CCO1 ZINC000584345888 565076778 /nfs/dbraw/zinc/07/67/78/565076778.db2.gz GTDPOEDXPSPGSB-WXHSDQCUSA-N 1 0 378.694 2.999 20 0 GFADRO [NH3+]C[C@H]1c2ccccc2CCN1Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000584351599 565077616 /nfs/dbraw/zinc/07/76/16/565077616.db2.gz UFXBPJCZMMXJMC-KRWDZBQOSA-N 1 0 399.292 2.515 20 0 GFADRO C[C@@H]1C[N@H+](CCCNC(=O)c2cc(F)c(Cl)c(N)c2Cl)CCCO1 ZINC000635857598 565078159 /nfs/dbraw/zinc/07/81/59/565078159.db2.gz HGKGUMSKFFULOI-SNVBAGLBSA-N 1 0 378.275 2.945 20 0 GFADRO Cc1cc(Br)cc(C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)c1C ZINC000613764889 565079231 /nfs/dbraw/zinc/07/92/31/565079231.db2.gz FJUFBKJKPBWSDK-ZDUSSCGKSA-N 1 0 383.330 2.983 20 0 GFADRO C[C@@H](C[NH2+][C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1)c1ccncc1 ZINC000684676832 565079429 /nfs/dbraw/zinc/07/94/29/565079429.db2.gz HQVQFCFKZBCJJG-RYUDHWBXSA-N 1 0 398.326 2.946 20 0 GFADRO O=C(NCc1n[nH]cc1Br)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000684792609 565083532 /nfs/dbraw/zinc/08/35/32/565083532.db2.gz LYAYRYAMHFSNFH-CYBMUJFWSA-N 1 0 384.322 2.769 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CC[NH2+]C[C@H](O)CCOC(C)C ZINC000584585697 565089027 /nfs/dbraw/zinc/08/90/27/565089027.db2.gz RPOCSGPHQJHVDJ-OAHLLOKOSA-N 1 0 387.318 2.852 20 0 GFADRO C[C@H]1C[N@H+](CCCNC(=O)Cc2ccc(Br)cc2F)CCCO1 ZINC000614016998 565091360 /nfs/dbraw/zinc/09/13/60/565091360.db2.gz DWSSYULCGWFFFQ-ZDUSSCGKSA-N 1 0 387.293 2.748 20 0 GFADRO O=C(NC[C@H]1CCCC[N@@H+]1C1CC1)c1cc(Br)cc2c1OCCO2 ZINC000614028923 565091745 /nfs/dbraw/zinc/09/17/45/565091745.db2.gz QURFTWHATSBKLI-CQSZACIVSA-N 1 0 395.297 2.967 20 0 GFADRO O=C(NCC1CC[NH+](C2CC2)CC1)c1cc(Br)cc2[nH]c(=O)[nH]c21 ZINC000614078323 565093808 /nfs/dbraw/zinc/09/38/08/565093808.db2.gz MDQXSTQZYBTHIZ-UHFFFAOYSA-N 1 0 393.285 2.635 20 0 GFADRO Cc1c2cc(C(=O)N3CCC[C@](O)(C[NH+](C)C)C3)[nH]c2ccc1Br ZINC000614071396 565094170 /nfs/dbraw/zinc/09/41/70/565094170.db2.gz QPBYICCJVDZPRG-SFHVURJKSA-N 1 0 394.313 2.768 20 0 GFADRO O=C1NCCC[C@H]1C[NH2+]Cc1ccc(OC(F)(F)F)c(Br)c1 ZINC000657282067 565095943 /nfs/dbraw/zinc/09/59/43/565095943.db2.gz DRUDQMISDLNFDT-JTQLQIEISA-N 1 0 381.192 2.964 20 0 GFADRO O=C(NC[C@H]1C[NH2+]CCCO1)N(Cc1cccc(Br)c1)CC1CC1 ZINC000584770448 565096178 /nfs/dbraw/zinc/09/61/78/565096178.db2.gz UOBNRGMCMONQDQ-QGZVFWFLSA-N 1 0 396.329 2.749 20 0 GFADRO O=C(Cc1noc2ccc(Br)cc12)NCC12CCC[NH+]1CCC2 ZINC000614230390 565102557 /nfs/dbraw/zinc/10/25/57/565102557.db2.gz QHWXNBZTHNYLFW-UHFFFAOYSA-N 1 0 378.270 2.877 20 0 GFADRO Cc1c(F)c(Br)ccc1NC(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000657527604 565106371 /nfs/dbraw/zinc/10/63/71/565106371.db2.gz VEJPOWFFILTEOZ-NWDGAFQWSA-N 1 0 398.276 2.578 20 0 GFADRO COC(=O)c1ccc(CN2CC[NH+](C[C@H]3CCCO3)CC2)c(Br)c1 ZINC000585765264 565110282 /nfs/dbraw/zinc/11/02/82/565110282.db2.gz LZJMELSMSIISBS-MRXNPFEDSA-N 1 0 397.313 2.532 20 0 GFADRO C[C@@H](NC[C@H](O)C[N@H+](C)C1CC1)c1nc(-c2ccc(Br)cc2)no1 ZINC000685573039 565111952 /nfs/dbraw/zinc/11/19/52/565111952.db2.gz IAGGSDMFGGWPRZ-ABAIWWIYSA-N 1 0 395.301 2.605 20 0 GFADRO Cc1c(F)c(Br)ccc1NC(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000657620148 565112600 /nfs/dbraw/zinc/11/26/00/565112600.db2.gz IYINHVQGBIGEHO-LBPRGKRZSA-N 1 0 398.276 2.532 20 0 GFADRO Brc1ccccc1-n1cc(CN[C@@H]2CC[N@H+](CC3CC3)C2)nn1 ZINC000685615786 565115661 /nfs/dbraw/zinc/11/56/61/565115661.db2.gz SDFMYCTXOLHCMO-CQSZACIVSA-N 1 0 376.302 2.604 20 0 GFADRO COc1cc(C[NH2+][C@@H]2CC[C@@H](C)S(=O)(=O)C2)ccc1OCC(F)(F)F ZINC000657636675 565115701 /nfs/dbraw/zinc/11/57/01/565115701.db2.gz HNQIKKCTMARZFL-DGCLKSJQSA-N 1 0 381.416 2.692 20 0 GFADRO O=C(NC[C@H]1C[N@@H+]2CCN1CCC2)c1cc(Br)c2ccccc2c1 ZINC000614504347 565116852 /nfs/dbraw/zinc/11/68/52/565116852.db2.gz TZZNLFHAZKEQQW-INIZCTEOSA-N 1 0 388.309 2.722 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+][C@@H]2CCc3ccc(O)cc32)cc1Br ZINC000657692641 565120369 /nfs/dbraw/zinc/12/03/69/565120369.db2.gz BEKGWUMAWYAJGU-OAHLLOKOSA-N 1 0 397.294 2.579 20 0 GFADRO C[C@H](CNC(=O)CCn1cc(Br)cn1)[N@@H+]1CCc2ccccc2C1 ZINC000614620650 565123802 /nfs/dbraw/zinc/12/38/02/565123802.db2.gz AGQXPOVMUHMLAK-CQSZACIVSA-N 1 0 391.313 2.599 20 0 GFADRO O=C(NCc1ccc(Cl)c(C(F)(F)F)c1)NC1CC[NH+](CCO)CC1 ZINC000636760811 565124474 /nfs/dbraw/zinc/12/44/74/565124474.db2.gz BBGPVLBNHBUPRI-UHFFFAOYSA-N 1 0 379.810 2.615 20 0 GFADRO OC1CCC(C[NH2+]Cc2ccc(Br)cc2N2CCOCC2)CC1 ZINC000657740303 565125879 /nfs/dbraw/zinc/12/58/79/565125879.db2.gz KUVIWLDENQWAFH-UHFFFAOYSA-N 1 0 383.330 2.926 20 0 GFADRO Brc1ccn2cc(CN3CCC[N@H+](C[C@@H]4CCCO4)CC3)nc2c1 ZINC000685833594 565126028 /nfs/dbraw/zinc/12/60/28/565126028.db2.gz VTORQEJLPOOWGC-KRWDZBQOSA-N 1 0 393.329 2.784 20 0 GFADRO C[C@H](NC(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1)[C@H](O)C(F)(F)F ZINC000636839669 565127114 /nfs/dbraw/zinc/12/71/14/565127114.db2.gz DTGFKIDRLJQRSH-IMIFBBOLSA-N 1 0 379.448 2.742 20 0 GFADRO CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]CC(C)(C)[C@@]1(O)CCCOC1 ZINC000657764488 565127697 /nfs/dbraw/zinc/12/76/97/565127697.db2.gz GFNYXLDDIDEEBH-GOSISDBHSA-N 1 0 389.945 2.791 20 0 GFADRO CC(C)(C[NH2+]Cc1cn2ccc(Br)cc2n1)[C@]1(O)CCCOC1 ZINC000657764602 565127787 /nfs/dbraw/zinc/12/77/87/565127787.db2.gz GEQREDVCPDXVNP-KRWDZBQOSA-N 1 0 382.302 2.754 20 0 GFADRO CN1CCC[C@H](NC(=O)N[C@@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)C1=O ZINC000636906740 565129856 /nfs/dbraw/zinc/12/98/56/565129856.db2.gz RKUNKKQGGCHAFX-GJZGRUSLSA-N 1 0 387.311 2.516 20 0 GFADRO COCCN(Cc1cc(Br)cs1)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000636989484 565133691 /nfs/dbraw/zinc/13/36/91/565133691.db2.gz WQHCMVTZFQNJPY-ZDUSSCGKSA-N 1 0 390.347 2.811 20 0 GFADRO CC[C@@H](Cc1ccc(Br)cc1)[NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000657930142 565138463 /nfs/dbraw/zinc/13/84/63/565138463.db2.gz AGQJNWGWHFTGAI-HOCLYGCPSA-N 1 0 389.359 2.641 20 0 GFADRO C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NCCC[N@H+](C)CCN(C)C ZINC000614938257 565138886 /nfs/dbraw/zinc/13/88/86/565138886.db2.gz ZPQAMTYYJZHRFG-ZDUSSCGKSA-N 1 0 376.328 2.760 20 0 GFADRO C[C@H]1COCC[N@@H+]1C1CCN(C(=O)Cc2cscc2Br)CC1 ZINC000615087912 565144184 /nfs/dbraw/zinc/14/41/84/565144184.db2.gz OUOJFKCHJLYMBH-LBPRGKRZSA-N 1 0 387.343 2.765 20 0 GFADRO O=C(NCC[NH2+][C@@H]1CCc2cc(F)ccc21)c1ccc(Br)cn1 ZINC000658092766 565150306 /nfs/dbraw/zinc/15/03/06/565150306.db2.gz QVHSBFAHTGXOIM-OAHLLOKOSA-N 1 0 378.245 2.990 20 0 GFADRO COc1ccccc1[C@@H](C)[NH2+]CCNC(=O)c1ccc(Br)cn1 ZINC000658093942 565150312 /nfs/dbraw/zinc/15/03/12/565150312.db2.gz ZXJBQZWPJJYHDT-GFCCVEGCSA-N 1 0 378.270 2.933 20 0 GFADRO Cc1ccc(Br)c(NC(=O)C(=O)NC[C@H]2CC[N@@H+](C(C)(C)C)C2)c1 ZINC000658121668 565150401 /nfs/dbraw/zinc/15/04/01/565150401.db2.gz PSODHJMSZVPWSI-CYBMUJFWSA-N 1 0 396.329 2.933 20 0 GFADRO Cc1cc(NC(=O)C(=O)NC[C@H]2CC[N@@H+](C(C)(C)C)C2)ccc1Br ZINC000658119872 565150535 /nfs/dbraw/zinc/15/05/35/565150535.db2.gz NPTNPSYUBDEBSE-CYBMUJFWSA-N 1 0 396.329 2.933 20 0 GFADRO O=C(NCC[NH2+][C@@H]1CCCc2ccc(O)cc21)c1ccc(Br)cn1 ZINC000658097355 565150564 /nfs/dbraw/zinc/15/05/64/565150564.db2.gz WPQNIHJJTCPVNE-MRXNPFEDSA-N 1 0 390.281 2.947 20 0 GFADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]Cc1cccnc1N1CCCC1 ZINC000658106064 565150680 /nfs/dbraw/zinc/15/06/80/565150680.db2.gz NUJCZKNJBBKUPB-CQSZACIVSA-N 1 0 391.313 2.784 20 0 GFADRO Cc1cc(Br)cc(C)c1S(=O)(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000589170370 565153245 /nfs/dbraw/zinc/15/32/45/565153245.db2.gz GWVJPJVZCYDMFA-HNNXBMFYSA-N 1 0 387.343 2.925 20 0 GFADRO CC[C@H](CCc1ccc(Br)cc1)[NH2+]C[C@@]1(OCCO)CCOC1 ZINC000658150195 565153228 /nfs/dbraw/zinc/15/32/28/565153228.db2.gz YMYRAFQHAIFQNE-MSOLQXFVSA-N 1 0 386.330 2.918 20 0 GFADRO OCCO[C@]1(C[NH2+][C@@H](c2ccco2)c2ccc(Br)cc2)CCOC1 ZINC000658143914 565153548 /nfs/dbraw/zinc/15/35/48/565153548.db2.gz JOMOAVPHDVKSRY-MSOLQXFVSA-N 1 0 396.281 2.889 20 0 GFADRO NC(=O)CC[C@H]1CCC[N@H+](CCC(=O)Nc2ccc(Br)cc2)C1 ZINC000589154514 565153652 /nfs/dbraw/zinc/15/36/52/565153652.db2.gz JQPVDKZJYOMBSL-CYBMUJFWSA-N 1 0 382.302 2.755 20 0 GFADRO C[C@H](C(=O)Nc1cccc(Br)c1)[N@@H+]1CCC[C@@H](CCC(N)=O)C1 ZINC000589153550 565153770 /nfs/dbraw/zinc/15/37/70/565153770.db2.gz FIUHIISHCCYPQA-OLZOCXBDSA-N 1 0 382.302 2.754 20 0 GFADRO COc1ncc(Br)cc1CNC(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000637407013 565154155 /nfs/dbraw/zinc/15/41/55/565154155.db2.gz OUMYVWHHTYECRU-HNNXBMFYSA-N 1 0 397.317 2.623 20 0 GFADRO C[N@@H+]1CCC[C@H]1[C@H]1COCCN1C(=O)CCc1ccc(Br)cc1F ZINC000615266415 565154917 /nfs/dbraw/zinc/15/49/17/565154917.db2.gz SVSIBDZQUCCQDM-DLBZAZTESA-N 1 0 399.304 2.842 20 0 GFADRO O=C([C@@H]1CC[N@@H+](Cc2cccc(I)c2)C1)N1CCCC1 ZINC000589205379 565154944 /nfs/dbraw/zinc/15/49/44/565154944.db2.gz OCSSSMUNINZGHV-CQSZACIVSA-N 1 0 384.261 2.736 20 0 GFADRO O=C(NCc1ccc(Br)c(F)c1F)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000637423200 565156190 /nfs/dbraw/zinc/15/61/90/565156190.db2.gz LYJPYQXVZUFBPE-GFCCVEGCSA-N 1 0 386.240 2.883 20 0 GFADRO CCN(C(=O)C(=O)Nc1cc(Cl)cc(Br)c1)[C@H]1CC[N@H+](C)C1 ZINC000658360622 565161049 /nfs/dbraw/zinc/16/10/49/565161049.db2.gz IFOOFVTXLIKVAH-ZDUSSCGKSA-N 1 0 388.693 2.594 20 0 GFADRO O=S(=O)(NC[C@@H]1CCC[NH2+]1)c1cc(Cl)c(Cl)cc1Br ZINC000658365468 565161310 /nfs/dbraw/zinc/16/13/10/565161310.db2.gz PRFAZESNWACRIV-ZETCQYMHSA-N 1 0 388.114 2.786 20 0 GFADRO O=S(=O)(c1cc(Cl)ccc1OC(F)(F)F)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000658373189 565162782 /nfs/dbraw/zinc/16/27/82/565162782.db2.gz BFXFXXYLZWDVJE-ZDUSSCGKSA-N 1 0 384.807 2.613 20 0 GFADRO CCCOc1ccc(Br)cc1S(=O)(=O)N1CCC(C)([NH3+])CC1 ZINC000658371804 565162948 /nfs/dbraw/zinc/16/29/48/565162948.db2.gz PCZZNHAUBJHCNO-UHFFFAOYSA-N 1 0 391.331 2.740 20 0 GFADRO CCCOc1ccc(Br)cc1S(=O)(=O)N1C[C@@H](C[NH3+])C[C@@H]1C ZINC000658374333 565163402 /nfs/dbraw/zinc/16/34/02/565163402.db2.gz NHZBYNUGGRWHPQ-NWDGAFQWSA-N 1 0 391.331 2.596 20 0 GFADRO CC[C@@H]([NH3+])CNS(=O)(=O)c1cc(Cl)c(Cl)cc1Br ZINC000658381023 565164776 /nfs/dbraw/zinc/16/47/76/565164776.db2.gz PQURUUAHVNKYRI-ZCFIWIBFSA-N 1 0 376.103 2.772 20 0 GFADRO COc1cc(Br)c(S(=O)(=O)NCC2([NH3+])CCCC2)cc1Cl ZINC000658390796 565167056 /nfs/dbraw/zinc/16/70/56/565167056.db2.gz VYUFYKAMNXAOSZ-UHFFFAOYSA-N 1 0 397.722 2.661 20 0 GFADRO O=S(=O)(c1ccc(Br)s1)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000658387378 565167186 /nfs/dbraw/zinc/16/71/86/565167186.db2.gz PZWHHEMBSZMBSV-GFCCVEGCSA-N 1 0 393.372 2.911 20 0 GFADRO [NH3+]CC12CC(C1)CN2S(=O)(=O)c1cc(C(F)(F)F)ccc1Br ZINC000658397444 565167199 /nfs/dbraw/zinc/16/71/99/565167199.db2.gz PYDKJNOSYSGXEZ-UHFFFAOYSA-N 1 0 399.232 2.580 20 0 GFADRO CO[C@]1(C(F)(F)F)CCCN(C(=O)NCC2(SC)CC[NH+](C)CC2)C1 ZINC000589628999 565167906 /nfs/dbraw/zinc/16/79/06/565167906.db2.gz LOTGSEKQTADECK-OAHLLOKOSA-N 1 0 383.480 2.567 20 0 GFADRO COc1cc(C)c(Br)cc1S(=O)(=O)N1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000658400557 565168357 /nfs/dbraw/zinc/16/83/57/565168357.db2.gz JCPANDYITAQBPP-PWSUYJOCSA-N 1 0 391.331 2.514 20 0 GFADRO CCN(C(=O)C(=O)Nc1ccc(Br)cc1C)[C@H]1CC[N@H+](CC)C1 ZINC000658461686 565171032 /nfs/dbraw/zinc/17/10/32/565171032.db2.gz DCQOCTDODBCYSO-AWEZNQCLSA-N 1 0 382.302 2.639 20 0 GFADRO CC[C@@H]([NH2+]CCC1CS(=O)(=O)C1)c1ccc(I)cc1 ZINC000615761572 565172721 /nfs/dbraw/zinc/17/27/21/565172721.db2.gz IPXQQPWVTPXFEH-CQSZACIVSA-N 1 0 393.290 2.767 20 0 GFADRO CN(Cc1ccc(Cl)s1)C(=O)c1nnn([C@H]2CC[NH2+]C2)c1C(F)F ZINC000637889826 565174978 /nfs/dbraw/zinc/17/49/78/565174978.db2.gz SCQSTLBUEYIZKV-QMMMGPOBSA-N 1 0 375.832 2.737 20 0 GFADRO [NH3+][C@@H]1CCO[C@@H]1C(=O)Nc1ncc(Cc2ccc(Br)cc2)s1 ZINC000637899189 565175198 /nfs/dbraw/zinc/17/51/98/565175198.db2.gz LJUORNHJVSJOOE-OLZOCXBDSA-N 1 0 382.283 2.551 20 0 GFADRO [NH3+]C[C@]1(C(=O)N[C@H]2C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)CCCOC1 ZINC000637929194 565177177 /nfs/dbraw/zinc/17/71/77/565177177.db2.gz VYWCCQQZZRYZBI-MPPDQPJWSA-N 1 0 376.341 2.768 20 0 GFADRO CCCC[N@H+](C)CC1CCN(Cc2ccc(S(N)(=O)=O)c(Cl)c2)CC1 ZINC000637906178 565177587 /nfs/dbraw/zinc/17/75/87/565177587.db2.gz RAUGQNUXMKEVCV-UHFFFAOYSA-N 1 0 387.977 2.931 20 0 GFADRO [NH3+][C@@H]1CC=C(C(=O)NCC2(c3ccc(Br)cc3)CCOCC2)C1 ZINC000637974756 565179227 /nfs/dbraw/zinc/17/92/27/565179227.db2.gz ZZKJSUGIZJUSST-MRXNPFEDSA-N 1 0 379.298 2.661 20 0 GFADRO C[NH+](C)CC1CCN(C(=O)NCCOc2cccc(Br)c2)CC1 ZINC000615906320 565179371 /nfs/dbraw/zinc/17/93/71/565179371.db2.gz RICIATYJSIRTDU-UHFFFAOYSA-N 1 0 384.318 2.811 20 0 GFADRO O=C(c1ccc2cncc(Br)c2n1)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000638141992 565185764 /nfs/dbraw/zinc/18/57/64/565185764.db2.gz ADIWUUUWPJBLAH-DZGCQCFKSA-N 1 0 389.297 2.997 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)c3ccc4cncc(Br)c4n3)C[C@H]21 ZINC000638164295 565187353 /nfs/dbraw/zinc/18/73/53/565187353.db2.gz KKPOFSSDNGAQQV-YRGRVCCFSA-N 1 0 375.270 2.592 20 0 GFADRO CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2cc(Cl)c(OCC)c(Cl)c2)C1 ZINC000658779358 565188352 /nfs/dbraw/zinc/18/83/52/565188352.db2.gz UFTLMJBQMSLHFK-LLVKDONJSA-N 1 0 388.295 2.931 20 0 GFADRO C[N@H+](CC(=O)N[C@@](C)(CO)c1cc(Cl)cc(Cl)c1)[C@@H]1CCSC1 ZINC000616081159 565189380 /nfs/dbraw/zinc/18/93/80/565189380.db2.gz SCSPKJSTKAJTNA-ZBFHGGJFSA-N 1 0 377.337 2.754 20 0 GFADRO O=C([C@@H]1[C@@H]2Cc3cc(Br)ccc3[C@@H]21)N1CCC2(CC[NH2+]C2)CC1 ZINC000638247698 565189808 /nfs/dbraw/zinc/18/98/08/565189808.db2.gz QZFPAVCEUPJJJG-IXDOHACOSA-N 1 0 375.310 2.937 20 0 GFADRO C[C@H](CCCC[NH3+])NC(=O)[C@H]1CCC(=O)N1Cc1ccc(Br)cc1 ZINC000638242081 565190053 /nfs/dbraw/zinc/19/00/53/565190053.db2.gz ARQPGJNMQFEQCD-CZUORRHYSA-N 1 0 396.329 2.574 20 0 GFADRO CC1CC[NH+]([C@@H](CNCc2ccc(S(N)(=O)=O)o2)c2cccs2)CC1 ZINC000638291353 565190294 /nfs/dbraw/zinc/19/02/94/565190294.db2.gz PCVKHVCBMWYTNC-HNNXBMFYSA-N 1 0 383.539 2.551 20 0 GFADRO CN(C(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000638308711 565191105 /nfs/dbraw/zinc/19/11/05/565191105.db2.gz VPRKYFKURSIEKA-SMLYQROTSA-N 1 0 384.307 2.876 20 0 GFADRO COCC[NH2+]C1CCN(C(=O)[C@H]2C[C@]2(C)c2cccc(Br)c2)CC1 ZINC000638385395 565193525 /nfs/dbraw/zinc/19/35/25/565193525.db2.gz CZJNHZVHPHALQU-IEBWSBKVSA-N 1 0 395.341 2.954 20 0 GFADRO [NH3+]C[C@@]1(C(=O)NCCc2csc(-c3ccc(Cl)cc3)n2)CCCOC1 ZINC000638377321 565194343 /nfs/dbraw/zinc/19/43/43/565194343.db2.gz HJWMDMULGAAJFK-SFHVURJKSA-N 1 0 379.913 2.878 20 0 GFADRO O=C(NCC/C=C\c1ccc(Br)cc1)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O ZINC000638463793 565197890 /nfs/dbraw/zinc/19/78/90/565197890.db2.gz XOAYFBWGIQVMPE-QXCIHURASA-N 1 0 391.309 2.783 20 0 GFADRO C[C@@H]1CN(C(=O)Cc2c(Cl)cccc2Br)[C@@H](C)C[N@@H+]1CCO ZINC000616341237 565198618 /nfs/dbraw/zinc/19/86/18/565198618.db2.gz MRZVDDKULXKYMY-NEPJUHHUSA-N 1 0 389.721 2.559 20 0 GFADRO [NH3+][C@@H]1CN(C(=O)Nc2ccn(-c3ccc(Br)cc3)n2)CC[C@H]1F ZINC000659015121 565199393 /nfs/dbraw/zinc/19/93/93/565199393.db2.gz FXEPKXDRJCZOSB-CHWSQXEVSA-N 1 0 382.237 2.538 20 0 GFADRO CN(CC(C)(C)[NH3+])C(=O)Nc1ccnn1Cc1ccc(Br)cc1 ZINC000659009408 565199442 /nfs/dbraw/zinc/19/94/42/565199442.db2.gz DVTZWAQMYGTAMT-UHFFFAOYSA-N 1 0 380.290 2.895 20 0 GFADRO Cc1cc(Br)c(Cl)cc1NC(=O)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000659074621 565200860 /nfs/dbraw/zinc/20/08/60/565200860.db2.gz OZKSIOVPSHSLPG-SNVBAGLBSA-N 1 0 388.693 2.608 20 0 GFADRO O=C(Nc1ccc(Br)cc1)C(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000659092624 565201365 /nfs/dbraw/zinc/20/13/65/565201365.db2.gz SXIPZESLSYEFSA-CQSZACIVSA-N 1 0 394.313 2.626 20 0 GFADRO CSc1cc(Cl)ccc1NC(=O)C(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000659087465 565201522 /nfs/dbraw/zinc/20/15/22/565201522.db2.gz RXKZETMFJOSESH-STQMWFEESA-N 1 0 381.929 2.849 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)COc2cccc(Br)c2)CC[C@@H]1C(F)(F)F ZINC000638551271 565201631 /nfs/dbraw/zinc/20/16/31/565201631.db2.gz VJIYOOQNVGFFPQ-GWCFXTLKSA-N 1 0 395.219 2.814 20 0 GFADRO [NH3+]C1(CNC(=O)c2scc(Br)c2Br)CCOCC1 ZINC000638541075 565201701 /nfs/dbraw/zinc/20/17/01/565201701.db2.gz OIQUQWRNPIATKW-UHFFFAOYSA-N 1 0 398.120 2.511 20 0 GFADRO O=C(Nc1ccccc1Br)C(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000659090789 565201875 /nfs/dbraw/zinc/20/18/75/565201875.db2.gz COZOFAISBVIDCC-CQSZACIVSA-N 1 0 394.313 2.626 20 0 GFADRO Cc1nc(CSc2ccc(C(=O)NC3(C[NH3+])CCOCC3)cc2)cs1 ZINC000638633657 565205653 /nfs/dbraw/zinc/20/56/53/565205653.db2.gz DNFWXLADIDTUOO-UHFFFAOYSA-N 1 0 377.535 2.982 20 0 GFADRO [NH3+]CCCOCCNC(=O)CCc1ncc(-c2ccccc2Br)o1 ZINC000638661771 565207299 /nfs/dbraw/zinc/20/72/99/565207299.db2.gz ZCJQSCUPPFNHAD-UHFFFAOYSA-N 1 0 396.285 2.518 20 0 GFADRO CN(CCOCC[NH3+])C(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1 ZINC000638680664 565207395 /nfs/dbraw/zinc/20/73/95/565207395.db2.gz XDFGAOBQQOKMML-UHFFFAOYSA-N 1 0 381.885 2.701 20 0 GFADRO CN1CCC[C@H]([NH2+][C@@H]2CCN(C)[C@@H](c3ccc(Br)cc3)C2)C1=O ZINC000638724687 565208172 /nfs/dbraw/zinc/20/81/72/565208172.db2.gz SUZPDHYWFZBXFL-IXDOHACOSA-N 1 0 380.330 2.795 20 0 GFADRO CN1CC[C@H]([NH2+]Cc2nnnn2C2CC2)C[C@H]1c1ccc(Br)cc1 ZINC000638711483 565208222 /nfs/dbraw/zinc/20/82/22/565208222.db2.gz ZTYDODOXYVUAQY-HOCLYGCPSA-N 1 0 391.317 2.696 20 0 GFADRO O=C1C[C@H]([NH2+][C@@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)CCCN1 ZINC000638759125 565209509 /nfs/dbraw/zinc/20/95/09/565209509.db2.gz FVUOMSSJPOIDPU-VXGBXAGGSA-N 1 0 376.810 2.591 20 0 GFADRO CC(=O)N1CC[C@]([NH3+])(C(=O)Nc2nc(-c3cccc(Cl)c3)c(C)s2)C1 ZINC000659275919 565210911 /nfs/dbraw/zinc/21/09/11/565210911.db2.gz KDKXGUNMTAFZCU-QGZVFWFLSA-N 1 0 378.885 2.660 20 0 GFADRO CN1CC[C@H]([NH2+]CC2(CO)CCOCC2)C[C@H]1c1ccc(Br)cc1 ZINC000638783614 565211317 /nfs/dbraw/zinc/21/13/17/565211317.db2.gz ILHYPXINFYTHTP-ROUUACIJSA-N 1 0 397.357 2.963 20 0 GFADRO CN1CC[C@H]([NH2+]CC2(CO)CCOCC2)C[C@@H]1c1ccc(Br)cc1 ZINC000638783615 565211416 /nfs/dbraw/zinc/21/14/16/565211416.db2.gz ILHYPXINFYTHTP-ZWKOTPCHSA-N 1 0 397.357 2.963 20 0 GFADRO Cc1cc(Br)cc(C(=O)N2CCC(CO[C@@H]3CC[NH2+]C3)CC2)c1 ZINC000638792337 565211808 /nfs/dbraw/zinc/21/18/08/565211808.db2.gz VZBTYNNIJFAHDI-QGZVFWFLSA-N 1 0 381.314 2.988 20 0 GFADRO CC(C)OC[C@H]([NH3+])C(=O)NC1CCN(Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000659313348 565211793 /nfs/dbraw/zinc/21/17/93/565211793.db2.gz AAYSIWYRUCVBFW-KRWDZBQOSA-N 1 0 388.339 2.826 20 0 GFADRO O=C(CN1CC[NH2+]CC1)Nc1nc([C@@H]2CCC[C@@H](C(F)(F)F)C2)cs1 ZINC000638826598 565212881 /nfs/dbraw/zinc/21/28/81/565212881.db2.gz QICWQWQRMVINHC-VXGBXAGGSA-N 1 0 376.448 2.823 20 0 GFADRO CN(C[C@H](O)COc1cc(Cl)cc(Cl)c1)C(=O)[C@@H]1CCC[NH2+]CC1 ZINC000638828559 565213535 /nfs/dbraw/zinc/21/35/35/565213535.db2.gz VNOTVPWLUOOJFH-DOMZBBRYSA-N 1 0 375.296 2.581 20 0 GFADRO C[C@@]1(C(=O)N2CC3(CCOCC3)c3ccc(Br)cc32)CC[NH2+]C1 ZINC000638841851 565214649 /nfs/dbraw/zinc/21/46/49/565214649.db2.gz GBTFWNIHYIABRK-QGZVFWFLSA-N 1 0 379.298 2.844 20 0 GFADRO O=C(N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1)c1nscc1Br ZINC000659355870 565214751 /nfs/dbraw/zinc/21/47/51/565214751.db2.gz XCALWDKGKMFRPD-AAEUAGOBSA-N 1 0 384.274 2.920 20 0 GFADRO C[C@H](CC(=O)NCC[C@H]([NH3+])Cc1ccccc1)n1cc(Br)cn1 ZINC000638882671 565215522 /nfs/dbraw/zinc/21/55/22/565215522.db2.gz UTYZYWOHDIQNHA-CJNGLKHVSA-N 1 0 379.302 2.673 20 0 GFADRO COc1cc(NC(=O)C2(OC)CC[NH2+]CC2)c(Cl)cc1Br ZINC000659381584 565215971 /nfs/dbraw/zinc/21/59/71/565215971.db2.gz JPAZHOIJNKVXDB-UHFFFAOYSA-N 1 0 377.666 2.818 20 0 GFADRO C[C@@H](C[NH3+])C(=O)N1CCc2cc(Br)c(Br)cc2C1 ZINC000659381132 565215990 /nfs/dbraw/zinc/21/59/90/565215990.db2.gz DXKZGONACCOBFL-QMMMGPOBSA-N 1 0 376.092 2.691 20 0 GFADRO CN1CC[C@@H]([NH2+]CC(=O)NCC2CC2)C[C@H]1c1ccc(Br)cc1 ZINC000638916347 565217742 /nfs/dbraw/zinc/21/77/42/565217742.db2.gz DJHKXRLEGSGGMH-SJORKVTESA-N 1 0 380.330 2.700 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)c2ccc(Cl)c(NS(C)(=O)=O)c2)C1 ZINC000616993315 565218443 /nfs/dbraw/zinc/21/84/43/565218443.db2.gz GIFXMTILHXAYAO-LBPRGKRZSA-N 1 0 387.933 2.562 20 0 GFADRO C[C@@H](Cc1cc(Br)ccc1F)NC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000659474566 565218483 /nfs/dbraw/zinc/21/84/83/565218483.db2.gz UQFCNSSDNXGQHL-CUOATXAZSA-N 1 0 376.245 2.600 20 0 GFADRO CN(CC(C)(C)[NH3+])C(=O)NCC1(c2ccc(Br)cc2)CCOCC1 ZINC000659448381 565218489 /nfs/dbraw/zinc/21/84/89/565218489.db2.gz POIGOWNBARWAEZ-UHFFFAOYSA-N 1 0 398.345 2.876 20 0 GFADRO C[C@@H](NC(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1)c1ncc(Br)cn1 ZINC000659496555 565218976 /nfs/dbraw/zinc/21/89/76/565218976.db2.gz RGYFYXYKPCQCRW-OCCSQVGLSA-N 1 0 396.333 2.721 20 0 GFADRO C[C@H](NC(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1)c1ncc(Br)cn1 ZINC000659496553 565219499 /nfs/dbraw/zinc/21/94/99/565219499.db2.gz RGYFYXYKPCQCRW-GXTWGEPZSA-N 1 0 396.333 2.721 20 0 GFADRO C[C@H]([NH3+])CNC(=O)Nc1cc(Br)ccc1I ZINC000591281912 565220876 /nfs/dbraw/zinc/22/08/76/565220876.db2.gz VEBZUNJVEXEGJZ-LURJTMIESA-N 1 0 398.042 2.522 20 0 GFADRO [NH3+][C@H]1CC[C@H](NC(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CCCC2)CC1 ZINC000639023398 565220951 /nfs/dbraw/zinc/22/09/51/565220951.db2.gz HWQVSLLMQMXBSN-SHTZXODSSA-N 1 0 384.929 2.813 20 0 GFADRO Cc1cc(I)ccc1NC(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000591271977 565221218 /nfs/dbraw/zinc/22/12/18/565221218.db2.gz TYCCEIIRJICIDT-WCFLWFBJSA-N 1 0 385.249 2.801 20 0 GFADRO COC(=O)c1cc(NC(=O)NC[C@H]2CCCC[NH2+]2)c(Br)cc1F ZINC000591287516 565221772 /nfs/dbraw/zinc/22/17/72/565221772.db2.gz OBFZZBIPIODXSQ-SECBINFHSA-N 1 0 388.237 2.638 20 0 GFADRO Cc1ccc(CNC(=O)c2cnn([C@@H]3CCC[NH2+]C3)c2)cc1Br ZINC000639035542 565221881 /nfs/dbraw/zinc/22/18/81/565221881.db2.gz DSJMNGDBFBIUSQ-OAHLLOKOSA-N 1 0 377.286 2.809 20 0 GFADRO CO[C@H](C[NH2+]CCC(=O)Nc1ccc(Br)cc1C)[C@@H]1CCOC1 ZINC000639042518 565221954 /nfs/dbraw/zinc/22/19/54/565221954.db2.gz XVMNEXPHSWMLAY-CZUORRHYSA-N 1 0 385.302 2.727 20 0 GFADRO COCCO[C@H]1COCC[C@H]1[NH2+]Cc1nc2cc(Br)ccc2o1 ZINC000639061720 565223113 /nfs/dbraw/zinc/22/31/13/565223113.db2.gz QAYOMUWWAQEQNZ-DOMZBBRYSA-N 1 0 385.258 2.500 20 0 GFADRO C[C@H](C[C@@H]1CCCC(=O)N1)[NH2+]C[C@H](CO)Cc1ccc(Br)cc1 ZINC000639103907 565224503 /nfs/dbraw/zinc/22/45/03/565224503.db2.gz JMSPOIDJBSDQAS-UNEWFSDZSA-N 1 0 383.330 2.637 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCNC(=O)CC1)c1nc(-c2ccc(Br)cc2)no1 ZINC000639099968 565224782 /nfs/dbraw/zinc/22/47/82/565224782.db2.gz PVVDIZMDMSWGOA-GWCFXTLKSA-N 1 0 379.258 2.818 20 0 GFADRO COc1cc(C[NH2+]C2CCN(S(=O)(=O)C(C)(C)C)CC2)c(Cl)cc1O ZINC000639107324 565225829 /nfs/dbraw/zinc/22/58/29/565225829.db2.gz OIFPOCNXJSZISX-UHFFFAOYSA-N 1 0 390.933 2.737 20 0 GFADRO C[C@H](C[C@@H]1CCCC(=O)N1)[NH2+]C[C@@H](CO)Cc1ccccc1Br ZINC000639105745 565225996 /nfs/dbraw/zinc/22/59/96/565225996.db2.gz QKKKNGRCBIWLJF-YCPHGPKFSA-N 1 0 383.330 2.637 20 0 GFADRO C[N@H+](CCc1nnn(C(C)(C)C)n1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000659852028 565226923 /nfs/dbraw/zinc/22/69/23/565226923.db2.gz JOIWZMNIJCTGGM-ZBFHGGJFSA-N 1 0 384.311 2.868 20 0 GFADRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(Cc2nnc(C(F)(F)F)s2)CC1 ZINC000659862484 565227184 /nfs/dbraw/zinc/22/71/84/565227184.db2.gz CURITKYXQDRQNO-CHWSQXEVSA-N 1 0 377.480 2.547 20 0 GFADRO NS(=O)(=O)c1ccc(CN2CCC[C@@H]2c2cccnc2)cc1Br ZINC000639168172 565230656 /nfs/dbraw/zinc/23/06/56/565230656.db2.gz OMXNEKCOBDJILZ-OAHLLOKOSA-N 1 0 396.310 2.829 20 0 GFADRO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1CC(=O)c1c[nH]c2ncc(Br)cc12 ZINC000659927393 565232684 /nfs/dbraw/zinc/23/26/84/565232684.db2.gz JEQDCMBXQBGFNW-YPMHNXCESA-N 1 0 377.286 2.677 20 0 GFADRO Brc1cnc2c(C[N@@H+]3CC4(CCOCC4)[C@H]3C3CC3)cnn2c1 ZINC000639212164 565233188 /nfs/dbraw/zinc/23/31/88/565233188.db2.gz UWPTUVMRIPWYKW-OAHLLOKOSA-N 1 0 377.286 2.883 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)c2cnc3ncc(Br)cc3c2)C1 ZINC000617345220 565233586 /nfs/dbraw/zinc/23/35/86/565233586.db2.gz ZRSVDTOGADGKKI-CQSZACIVSA-N 1 0 377.286 2.995 20 0 GFADRO Brc1c[nH+]c(NCc2cc(C3CC3)no2)cc1N1CCOCC1 ZINC000639241639 565234495 /nfs/dbraw/zinc/23/44/95/565234495.db2.gz KYCJFXVSKQPQBU-UHFFFAOYSA-N 1 0 379.258 3.158 20 0 GFADRO CO[C@H](C[NH2+]C[C@H](CO)Cc1cccc(Br)c1C)[C@@H]1CCOC1 ZINC000639237961 565234630 /nfs/dbraw/zinc/23/46/30/565234630.db2.gz PLPUHGLIKCUSOO-QGPMSJSTSA-N 1 0 386.330 2.550 20 0 GFADRO O=C(NCCC[C@H]1CCC[NH2+]1)c1cc(F)c(F)cc1I ZINC000591684825 565236233 /nfs/dbraw/zinc/23/62/33/565236233.db2.gz IEZMPQAVGUITCO-SECBINFHSA-N 1 0 394.203 2.831 20 0 GFADRO Cn1cc(CCC[NH2+]C[C@@H](CO)Cc2cc(Br)ccc2F)cn1 ZINC000639248057 565236301 /nfs/dbraw/zinc/23/63/01/565236301.db2.gz CIDVEHZRAVQTHZ-AWEZNQCLSA-N 1 0 384.293 2.695 20 0 GFADRO COc1cc(CN2CCOC3(CC[NH+](C)CC3)C2)c(F)cc1Br ZINC000639286571 565237229 /nfs/dbraw/zinc/23/72/29/565237229.db2.gz CYDFQVBJYCCOCA-UHFFFAOYSA-N 1 0 387.293 2.893 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+][C@@H]2[C@H]3Cc4c(cccc4Br)[C@@H]23)s1 ZINC000639360778 565242404 /nfs/dbraw/zinc/24/24/04/565242404.db2.gz ONQIPJUWHZLQNZ-NILFDRSVSA-N 1 0 399.335 2.586 20 0 GFADRO COCCn1cc(C[N@H+](C)C[C@H](O)COc2cc(Cl)cc(Cl)c2)cn1 ZINC000639360054 565242541 /nfs/dbraw/zinc/24/25/41/565242541.db2.gz KZMDBPGTRYGMOI-INIZCTEOSA-N 1 0 388.295 2.708 20 0 GFADRO CCN1CC[C@@H]([NH+]2CCC(C(=O)Nc3ccccc3Br)CC2)C1=O ZINC000660059992 565245485 /nfs/dbraw/zinc/24/54/85/565245485.db2.gz QKXOAIOYABOVFW-MRXNPFEDSA-N 1 0 394.313 2.720 20 0 GFADRO CCCC[N@H+](CC[C@H]1Sc2ccccc2NC1=O)[C@H]1CCS(=O)(=O)C1 ZINC000660070422 565247589 /nfs/dbraw/zinc/24/75/89/565247589.db2.gz QBNYBPJTVGLUDI-WMLDXEAASA-N 1 0 382.551 2.779 20 0 GFADRO COCCOC[C@H]1CC[N@H+](C[C@@H](O)COc2cc(Cl)cc(Cl)c2)C1 ZINC000639504058 565248145 /nfs/dbraw/zinc/24/81/45/565248145.db2.gz GJDGAPJIGXYVQU-XJKSGUPXSA-N 1 0 378.296 2.718 20 0 GFADRO COCC[N@@H+]1CCC[C@H](NC(=O)C2(c3ccc(Br)cc3)CC2)C1 ZINC000592092807 565255921 /nfs/dbraw/zinc/25/59/21/565255921.db2.gz CABNTJPSSSYTBH-INIZCTEOSA-N 1 0 381.314 2.708 20 0 GFADRO CSc1cc(Br)ccc1C(=O)NCCN(C)CCC[NH+](C)C ZINC000617763109 565257165 /nfs/dbraw/zinc/25/71/65/565257165.db2.gz FNEHUPIBHGFWPF-UHFFFAOYSA-N 1 0 388.375 2.784 20 0 GFADRO Nc1nnc(C2CC[NH+](CCC(=O)Nc3c(Cl)cccc3Cl)CC2)o1 ZINC000639737972 565258440 /nfs/dbraw/zinc/25/84/40/565258440.db2.gz FDLIMOYHVBHMMT-UHFFFAOYSA-N 1 0 384.267 3.167 20 0 GFADRO C[NH+](C)C[C@@H]1COC2(CCCC2)CN1S(=O)(=O)c1ccc(Cl)cc1F ZINC000660149536 565259664 /nfs/dbraw/zinc/25/96/64/565259664.db2.gz CIUNLPUVGHKBNT-CQSZACIVSA-N 1 0 390.908 2.743 20 0 GFADRO C[NH+](C)C[C@@H]1COC2(CCCC2)CN1S(=O)(=O)Cc1ccc(Cl)cc1 ZINC000660149126 565259783 /nfs/dbraw/zinc/25/97/83/565259783.db2.gz ALXHLSSFHOFJFO-QGZVFWFLSA-N 1 0 386.945 2.745 20 0 GFADRO CCOC(=O)c1sc(NC(=O)C[NH2+][C@@H]2C[C@@H](OCC)[C@H]2SC)cc1C ZINC000592169193 565261827 /nfs/dbraw/zinc/26/18/27/565261827.db2.gz XGBZXMGAVNEDJY-HSMVNMDESA-N 1 0 386.539 2.670 20 0 GFADRO O=S(=O)(NC[C@@H]1CCC[N@H+](CC2CC2)C1)c1sccc1Br ZINC000660178590 565263868 /nfs/dbraw/zinc/26/38/68/565263868.db2.gz JHHDSALUAGQCLN-LBPRGKRZSA-N 1 0 393.372 2.911 20 0 GFADRO C[C@@H](C[NH+](C)C)[C@@H]1CCCCN1C(=O)Nc1nnc(CC(F)(F)F)s1 ZINC000639829921 565264334 /nfs/dbraw/zinc/26/43/34/565264334.db2.gz IDWNALREGRSXPQ-QWRGUYRKSA-N 1 0 379.452 3.227 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)CCC[N@@H+]1C[C@@H](O)C[C@@]1(C)CO ZINC000639849615 565264991 /nfs/dbraw/zinc/26/49/91/565264991.db2.gz PPAPZHVPWMFRIU-YJBOKZPZSA-N 1 0 399.329 2.602 20 0 GFADRO CC(C)[C@@H]1CN(S(=O)(=O)c2cccc(Br)c2Cl)CC[NH2+]1 ZINC000660184055 565265375 /nfs/dbraw/zinc/26/53/75/565265375.db2.gz IUJOBOHOVGRFQT-NSHDSACASA-N 1 0 381.723 2.721 20 0 GFADRO O=C(NCCSc1ccc(Cl)cc1)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000660224684 565267603 /nfs/dbraw/zinc/26/76/03/565267603.db2.gz WDEHUVIVZRTIFI-INIZCTEOSA-N 1 0 383.945 2.985 20 0 GFADRO CC[C@H]1CN(C(=O)c2cc(F)ccc2I)CC[C@@H]1[NH3+] ZINC000592333279 565269854 /nfs/dbraw/zinc/26/98/54/565269854.db2.gz WERWAVZYFVXVGV-ZANVPECISA-N 1 0 376.213 2.630 20 0 GFADRO CN1CC(=O)N(CC[NH2+]C2(c3cc(C(F)(F)F)ccc3Cl)CC2)C1=O ZINC000660401198 565273827 /nfs/dbraw/zinc/27/38/27/565273827.db2.gz RGDXCHPYQUCVPC-UHFFFAOYSA-N 1 0 375.778 2.832 20 0 GFADRO O=C(CCOc1cccc(Cl)c1Cl)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000592410751 565275352 /nfs/dbraw/zinc/27/53/52/565275352.db2.gz LSPOABRCRXDFIN-GJZGRUSLSA-N 1 0 387.307 2.820 20 0 GFADRO CN(CCN1CC[NH2+]CC1)C(=O)CSCc1ccc(Cl)cc1Cl ZINC000592469501 565278921 /nfs/dbraw/zinc/27/89/21/565278921.db2.gz RWAJWYQMARMYDO-UHFFFAOYSA-N 1 0 376.353 2.590 20 0 GFADRO CCC[N@@H+]1CC[C@@H](NC(=O)NCc2cc(Br)c3c(c2)OCCO3)C1 ZINC000660486813 565279434 /nfs/dbraw/zinc/27/94/34/565279434.db2.gz TVEDCAXQVMFPSB-CYBMUJFWSA-N 1 0 398.301 2.504 20 0 GFADRO C[C@H](NC(=O)c1cnn2c1[C@H](C[NH3+])CCC2)c1ccc(Br)cc1 ZINC000592507043 565279767 /nfs/dbraw/zinc/27/97/67/565279767.db2.gz XYUWWUSTDMUALP-AAEUAGOBSA-N 1 0 377.286 2.973 20 0 GFADRO COC(=O)[C@@H]1C[N@H+](Cc2cnn(-c3ccc(Br)cc3)c2)C[C@H]1C ZINC000592515891 565279937 /nfs/dbraw/zinc/27/99/37/565279937.db2.gz WXJGQHMXBNHTJJ-MLGOLLRUSA-N 1 0 378.270 2.876 20 0 GFADRO [NH3+]C[C@@H]1CCCn2ncc(C(=O)NC3(c4cccc(Br)c4)CC3)c21 ZINC000592535563 565280843 /nfs/dbraw/zinc/28/08/43/565280843.db2.gz UWJDPBKBPCGRQG-LBPRGKRZSA-N 1 0 389.297 2.901 20 0 GFADRO C[C@H](C[NH3+])CNC(=O)C[C@H](C)CCc1ccc(I)cc1 ZINC000592538478 565280942 /nfs/dbraw/zinc/28/09/42/565280942.db2.gz XDZUTEANGOEKTL-CHWSQXEVSA-N 1 0 388.293 2.961 20 0 GFADRO [NH3+]C[C@@H]1CCCn2ncc(C(=O)N[C@@H]3COc4c3ccc(Cl)c4Cl)c21 ZINC000592525629 565281086 /nfs/dbraw/zinc/28/10/86/565281086.db2.gz BRAJBAIFTILJAF-TVQRCGJNSA-N 1 0 381.263 2.890 20 0 GFADRO COCC1([NH2+]CCS(=O)(=O)c2cc(Cl)ccc2Cl)CCOCC1 ZINC000660628634 565285768 /nfs/dbraw/zinc/28/57/68/565285768.db2.gz BJMCPEGDSGVGTK-UHFFFAOYSA-N 1 0 382.309 2.552 20 0 GFADRO Cc1ccc2c(c1)sc(C(=O)N(CC[NH+](C)C)CC(=O)N(C)C)c2Cl ZINC000618305747 565286097 /nfs/dbraw/zinc/28/60/97/565286097.db2.gz GAVFYDCRLJDQRA-UHFFFAOYSA-N 1 0 381.929 2.955 20 0 GFADRO C[N@@H+]1CCN(CCNC(=O)Nc2cscc2Br)CC1(C)C ZINC000640189877 565286957 /nfs/dbraw/zinc/28/69/57/565286957.db2.gz MNUJDVLAJSYBOM-UHFFFAOYSA-N 1 0 375.336 2.658 20 0 GFADRO CC(C)C[NH2+]C1(CO)CCN(Cc2cc3c(c(Br)c2)OCO3)CC1 ZINC000660694736 565289285 /nfs/dbraw/zinc/28/92/85/565289285.db2.gz IGTYEPRBAHINDJ-UHFFFAOYSA-N 1 0 399.329 2.750 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1cnn(-c2cccc(Br)c2)c1 ZINC000592742084 565291868 /nfs/dbraw/zinc/29/18/68/565291868.db2.gz LRCDVTFWVWSVRQ-SJORKVTESA-N 1 0 389.297 2.991 20 0 GFADRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccn(-c2cccc(Br)c2)n1 ZINC000592741283 565292043 /nfs/dbraw/zinc/29/20/43/565292043.db2.gz CQIIXVNHYYRFBL-RDJZCZTQSA-N 1 0 389.297 2.991 20 0 GFADRO O=C(Nc1nn(CC(F)(F)F)cc1Cl)NC1CC[NH+](CC2CC2)CC1 ZINC000640292882 565294200 /nfs/dbraw/zinc/29/42/00/565294200.db2.gz PNNALTPBYZQHEU-UHFFFAOYSA-N 1 0 379.814 3.095 20 0 GFADRO C[N@H+](CCNC(=O)Nc1nn(CC(F)(F)F)cc1Cl)C1CCCCC1 ZINC000640296832 565296066 /nfs/dbraw/zinc/29/60/66/565296066.db2.gz RIXBGGPSAPUZEV-UHFFFAOYSA-N 1 0 381.830 3.485 20 0 GFADRO C[C@H](CCNC(=O)Nc1nn(C)cc1Br)[N@H+](C)Cc1ccccc1 ZINC000640308539 565297859 /nfs/dbraw/zinc/29/78/59/565297859.db2.gz CPROUVYYMXVBBI-CYBMUJFWSA-N 1 0 394.317 3.215 20 0 GFADRO CCCN(C(=O)c1csc(I)c1)[C@H]1CC[N@H+](C)C1 ZINC000592832631 565299066 /nfs/dbraw/zinc/29/90/66/565299066.db2.gz UOWXVHIEAXRWMD-NSHDSACASA-N 1 0 378.279 2.909 20 0 GFADRO OCC1([C@H]([NH2+]CCOc2cccc(Br)c2)C2CC2)CCOCC1 ZINC000661081870 565305143 /nfs/dbraw/zinc/30/51/43/565305143.db2.gz HZFMZLCCTKHCFN-QGZVFWFLSA-N 1 0 384.314 2.985 20 0 GFADRO C[C@@H](C[NH+]1CCOCC1)C(=O)NCC1(Cc2ccc(Br)cc2)CC1 ZINC000618538145 565305435 /nfs/dbraw/zinc/30/54/35/565305435.db2.gz ISZUYONDPOYAOX-HNNXBMFYSA-N 1 0 395.341 2.856 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)Nc1ccn(C2CCSCC2)n1)c1ccsc1 ZINC000640432073 565309031 /nfs/dbraw/zinc/30/90/31/565309031.db2.gz ZUMHUAAZTXYVDI-OAHLLOKOSA-N 1 0 379.555 3.437 20 0 GFADRO Brc1csc(-c2noc(CN3CC[C@@H](Cn4ccnn4)C3)n2)c1 ZINC000661144796 565309923 /nfs/dbraw/zinc/30/99/23/565309923.db2.gz NEASVPTYNWSIQF-SNVBAGLBSA-N 1 0 395.286 2.674 20 0 GFADRO C[C@@]1(C2CC2)C[N@H+](C[C@H](O)COc2cc(F)cc(Br)c2)CCO1 ZINC000661166867 565310994 /nfs/dbraw/zinc/31/09/94/565310994.db2.gz CPHDDEPCEUOWJY-RDJZCZTQSA-N 1 0 388.277 2.829 20 0 GFADRO CO[C@@H]1CCC[C@H]([C@H](CO)[NH2+]CC(=O)Nc2ccc(Br)cc2C)C1 ZINC000661215170 565313422 /nfs/dbraw/zinc/31/34/22/565313422.db2.gz BQZHBBASEPYUDS-LXZKKBNFSA-N 1 0 399.329 2.852 20 0 GFADRO CO[C@@H]1CCC[C@H]([C@@H](CO)[NH2+]CCC(=O)Nc2ccccc2Br)C1 ZINC000661214845 565313592 /nfs/dbraw/zinc/31/35/92/565313592.db2.gz AWVSAICKTTYCBW-JJRVBVJISA-N 1 0 399.329 2.933 20 0 GFADRO CO[C@@H]1CCC[C@@H]([C@H](CO)[NH2+]CC(=O)Nc2ccccc2Br)C1 ZINC000661220433 565314957 /nfs/dbraw/zinc/31/49/57/565314957.db2.gz OYAMCEPQMKZBPX-IOASZLSFSA-N 1 0 385.302 2.543 20 0 GFADRO COC(=O)c1cc(Br)cc(C(=O)N2[C@H](C)C[N@H+](C)[C@@H](C)[C@@H]2C)c1 ZINC000593191288 565318683 /nfs/dbraw/zinc/31/86/83/565318683.db2.gz XNRLLINSMFFIRN-WOPDTQHZSA-N 1 0 383.286 2.789 20 0 GFADRO C[C@H](C(=O)N1CC(C)(C)c2ccc(Br)cc21)N1CCN(C)CC1 ZINC000618858012 565319515 /nfs/dbraw/zinc/31/95/15/565319515.db2.gz OMBZKXKPOVQIQC-CYBMUJFWSA-N 1 0 380.330 2.709 20 0 GFADRO CC[C@H]([NH2+]C[C@@]1(O)CCO[C@H]1C)c1ccc(I)cc1 ZINC000618992033 565323878 /nfs/dbraw/zinc/32/38/78/565323878.db2.gz AXEMBBCPALGRQW-CQDKDKBSSA-N 1 0 375.250 2.872 20 0 GFADRO [NH3+][C@H](c1cn(CC(=O)Nc2ccc(Cl)c(Cl)c2)nn1)C1CCOCC1 ZINC000640761317 565325755 /nfs/dbraw/zinc/32/57/55/565325755.db2.gz XTHKVAWGOGISOR-INIZCTEOSA-N 1 0 384.267 2.650 20 0 GFADRO C[C@H]1CCC[N@H+](CC(=O)c2c[nH]c3ncc(Br)cc23)[C@H]1CCO ZINC000661500794 565325880 /nfs/dbraw/zinc/32/58/80/565325880.db2.gz UPRKDMVRVVDSHF-NHYWBVRUSA-N 1 0 380.286 2.991 20 0 GFADRO C[C@@H](C(=O)Nc1ccc(Br)cc1)n1cc([C@@H]2CCC[NH2+]C2)nn1 ZINC000640801667 565328817 /nfs/dbraw/zinc/32/88/17/565328817.db2.gz WBPZZLKVNQVLON-NWDGAFQWSA-N 1 0 378.274 2.707 20 0 GFADRO C[C@H](NC(=O)C[N@@H+]1CC[C@@H]2NC(=O)CC[C@H]2C1)c1ccc(Cl)c(Cl)c1 ZINC000661601712 565330639 /nfs/dbraw/zinc/33/06/39/565330639.db2.gz DWTXCWJSKKTVPS-RBOXIYTFSA-N 1 0 384.307 2.771 20 0 GFADRO C[C@@H](NC(=O)Cn1cc([C@H]([NH3+])C(C)(C)C)nn1)c1ccc(Br)cc1 ZINC000640846630 565331315 /nfs/dbraw/zinc/33/13/15/565331315.db2.gz CHQJZXUKQKPFJE-BZNIZROVSA-N 1 0 394.317 2.964 20 0 GFADRO C[C@@H](NC(=O)C[N@@H+]1CCC[C@](O)(C2CC2)C1)c1ccc(Br)cc1 ZINC000661634531 565331323 /nfs/dbraw/zinc/33/13/23/565331323.db2.gz HSIDTGDLPQHPQS-FZKQIMNGSA-N 1 0 381.314 2.863 20 0 GFADRO C[C@H](CNc1ncnc2cc(I)sc21)C[NH+](C)C ZINC000593473501 565334653 /nfs/dbraw/zinc/33/46/53/565334653.db2.gz RLRMWEVGOGFFEL-MRVPVSSYSA-N 1 0 376.267 2.906 20 0 GFADRO CC(C)(C)c1noc(Cn2cc([C@@H]([NH3+])c3ccc(Br)cc3)nn2)n1 ZINC000640934913 565337389 /nfs/dbraw/zinc/33/73/89/565337389.db2.gz MOPGVEQYXQSXJH-AWEZNQCLSA-N 1 0 391.273 2.818 20 0 GFADRO O=C1CNC(=O)N1CCN1CCc2sccc2[C@H]1c1ccc(Cl)cc1 ZINC000661790530 565337579 /nfs/dbraw/zinc/33/75/79/565337579.db2.gz AIGNLYWCSXZTSD-QGZVFWFLSA-N 1 0 375.881 2.901 20 0 GFADRO CC(C)(C)c1nc(Cn2cc([C@H]([NH3+])c3ccc(Br)cc3)nn2)no1 ZINC000640933423 565337717 /nfs/dbraw/zinc/33/77/17/565337717.db2.gz NJHYUUDQBHALOH-CQSZACIVSA-N 1 0 391.273 2.818 20 0 GFADRO C[NH2+]C(C)(C)c1cn(Cc2nc(-c3ccc(Br)s3)no2)nn1 ZINC000641048343 565343268 /nfs/dbraw/zinc/34/32/68/565343268.db2.gz HBEFSRPYENKCOT-UHFFFAOYSA-N 1 0 383.275 2.655 20 0 GFADRO Brc1ccc(-c2cnc(Cn3cc(C[C@H]4CC[NH2+]C4)nn3)o2)cc1 ZINC000641073892 565344797 /nfs/dbraw/zinc/34/47/97/565344797.db2.gz ZJVJHIGBNPUGPF-GFCCVEGCSA-N 1 0 388.269 2.896 20 0 GFADRO CS[C@@H]1CN(C(=O)[C@H](C[C@H]2CCCO2)C(F)(F)F)C[C@H]1[NH+]1CCCC1 ZINC000593602283 565346675 /nfs/dbraw/zinc/34/66/75/565346675.db2.gz NTTBBTRVDLWTPQ-LXTVHRRPSA-N 1 0 380.476 2.772 20 0 GFADRO [NH3+][C@@H](c1cn(Cc2c(F)ccc(Br)c2F)nn1)C1CCOCC1 ZINC000641173335 565352310 /nfs/dbraw/zinc/35/23/10/565352310.db2.gz FJGDJDDECXGSLW-OAHLLOKOSA-N 1 0 387.228 2.794 20 0 GFADRO CC[C@H]([NH3+])c1cn(C[C@H](O)COc2ccc(Cl)cc2Br)nn1 ZINC000641213917 565354635 /nfs/dbraw/zinc/35/46/35/565354635.db2.gz OUFARRQCYLNPLH-JQWIXIFHSA-N 1 0 389.681 2.544 20 0 GFADRO C[N@@H+]1CCC[C@@H](NC(=O)C2(c3ccc(I)cc3)CC2)C1 ZINC000619724146 565356260 /nfs/dbraw/zinc/35/62/60/565356260.db2.gz KDHGCPKIUNLVOF-CQSZACIVSA-N 1 0 384.261 2.533 20 0 GFADRO COc1ncc(Br)cc1CN1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000662286581 565358757 /nfs/dbraw/zinc/35/87/57/565358757.db2.gz QVCUQPREZNFRSB-VBNZEHGJSA-N 1 0 384.318 2.571 20 0 GFADRO NC(=O)[C@@H](c1ccc(Br)cc1F)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662298745 565359416 /nfs/dbraw/zinc/35/94/16/565359416.db2.gz XKWQUAKPDATIST-CXAGYDPISA-N 1 0 398.320 2.826 20 0 GFADRO CN(Cc1nc(Cc2cccc(Br)c2)no1)[C@H](C[NH3+])C(F)(F)F ZINC000662328880 565360469 /nfs/dbraw/zinc/36/04/69/565360469.db2.gz HMXWJJFAAREMMZ-LLVKDONJSA-N 1 0 393.207 2.744 20 0 GFADRO CN(Cc1nc(Cc2cccc(Br)c2)no1)[C@@H](C[NH3+])C(F)(F)F ZINC000662328884 565360693 /nfs/dbraw/zinc/36/06/93/565360693.db2.gz HMXWJJFAAREMMZ-NSHDSACASA-N 1 0 393.207 2.744 20 0 GFADRO C[NH+](C)CCC[C@@H]1CN(Cc2nc3cc(Br)ccc3[nH]2)CCO1 ZINC000662324281 565360704 /nfs/dbraw/zinc/36/07/04/565360704.db2.gz UFGCYUFGISUSSS-CQSZACIVSA-N 1 0 381.318 2.868 20 0 GFADRO CCC[N@@H+]1CC[C@H](NC(=O)c2cn(Cc3ccc(Cl)cc3Cl)nn2)C1 ZINC000619904314 565363598 /nfs/dbraw/zinc/36/35/98/565363598.db2.gz JBLGEKQPNDWWPA-AWEZNQCLSA-N 1 0 382.295 2.847 20 0 GFADRO CC(C)(CNC(=O)c1c[nH]nc1[C@H]1CC[NH2+]C1)c1ccc(Br)cc1 ZINC000662387595 565364062 /nfs/dbraw/zinc/36/40/62/565364062.db2.gz FJIMATPTJKUANS-LBPRGKRZSA-N 1 0 391.313 2.957 20 0 GFADRO CC[C@H]([NH3+])c1cn(Cc2ccc(I)c(Cl)c2)nn1 ZINC000594655642 565404498 /nfs/dbraw/zinc/40/44/98/565404498.db2.gz PDZFJFAPMVYISM-NSHDSACASA-N 1 0 376.629 2.994 20 0 GFADRO CN(CC[NH+]1CCCCC1)C(=O)Cc1ccc(I)cc1 ZINC000593882771 565366066 /nfs/dbraw/zinc/36/60/66/565366066.db2.gz LLFQAEPTEJPEHZ-UHFFFAOYSA-N 1 0 386.277 2.778 20 0 GFADRO COCC[N@@H+]1CC[C@H](NC(=O)CCCCc2ccc(Br)cc2)C1 ZINC000593915527 565367235 /nfs/dbraw/zinc/36/72/35/565367235.db2.gz SJBKDJIFZUUBKR-KRWDZBQOSA-N 1 0 383.330 2.999 20 0 GFADRO COCC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)Sc2ccc(Br)cc2)C1 ZINC000593910902 565367422 /nfs/dbraw/zinc/36/74/22/565367422.db2.gz IBKKMOUKZVAJQD-OCCSQVGLSA-N 1 0 387.343 2.767 20 0 GFADRO COC(=O)c1cc(NC(=O)[C@@H]2CC[C@H](C3CC3)[NH2+]2)cc(Br)c1F ZINC000593908305 565367719 /nfs/dbraw/zinc/36/77/19/565367719.db2.gz LDGCUTSCYRRLJM-OLZOCXBDSA-N 1 0 385.233 2.844 20 0 GFADRO [NH3+]C[C@H]1OCC[C@@H]1C(=O)Nc1nc(-c2cccc(Br)c2)cs1 ZINC000662436449 565367965 /nfs/dbraw/zinc/36/79/65/565367965.db2.gz AHRNHYKRNXFOML-WCQYABFASA-N 1 0 382.283 2.875 20 0 GFADRO O=C(N[C@@H]1CCc2c1cccc2Br)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC000662441539 565368333 /nfs/dbraw/zinc/36/83/33/565368333.db2.gz JXWWOHMMTKJLSJ-MEBBXXQBSA-N 1 0 375.270 2.666 20 0 GFADRO O=C(NCc1cc(Cl)c2c(c1)OCCCO2)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662453908 565368720 /nfs/dbraw/zinc/36/87/20/565368720.db2.gz YSTNEFRNCPWHFA-HNNXBMFYSA-N 1 0 378.778 2.660 20 0 GFADRO COC1CC[NH+](C(C)(C)CNS(=O)(=O)c2cccc(Cl)c2F)CC1 ZINC000594033813 565373145 /nfs/dbraw/zinc/37/31/45/565373145.db2.gz NZDMIILRYJHZDT-UHFFFAOYSA-N 1 0 378.897 2.647 20 0 GFADRO O=C(c1cc(-c2cccc(Br)c2)no1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000662521577 565373526 /nfs/dbraw/zinc/37/35/26/565373526.db2.gz QWZWKOHMWYLHLN-OCCSQVGLSA-N 1 0 376.254 2.928 20 0 GFADRO FC(F)(F)c1ncnc(NC2CC[NH+]([C@@H]3CCOC3)CC2)c1Br ZINC000641448479 565373678 /nfs/dbraw/zinc/37/36/78/565373678.db2.gz CMBYIHHCGLXANG-SNVBAGLBSA-N 1 0 395.223 2.923 20 0 GFADRO O=C(c1cc(Br)cc(N2CCCC2)c1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000662520135 565374014 /nfs/dbraw/zinc/37/40/14/565374014.db2.gz DRNNAOJHKQJDBH-GUYCJALGSA-N 1 0 378.314 2.873 20 0 GFADRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)Cc1ccc(Br)c(Br)c1 ZINC000662557294 565376956 /nfs/dbraw/zinc/37/69/56/565376956.db2.gz HDFMWFTYFLJRCB-RNCFNFMXSA-N 1 0 390.119 2.868 20 0 GFADRO [NH3+]C1(C(=O)NCc2nnc(-c3ccc(Br)cc3)[nH]2)CC2(CCC2)C1 ZINC000662565430 565377248 /nfs/dbraw/zinc/37/72/48/565377248.db2.gz NVUSSAMOHMIJRM-UHFFFAOYSA-N 1 0 390.285 2.512 20 0 GFADRO O=C(N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662566164 565377383 /nfs/dbraw/zinc/37/73/83/565377383.db2.gz SUUFKWZLSADUQN-UKRRQHHQSA-N 1 0 380.769 2.921 20 0 GFADRO O=C(Cc1cccc(I)c1)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000594194896 565378536 /nfs/dbraw/zinc/37/85/36/565378536.db2.gz AGCZYPXQZNRGLD-HZPDHXFCSA-N 1 0 398.288 2.967 20 0 GFADRO O=C(c1[nH]nc(C2CC2)c1Br)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662598898 565379652 /nfs/dbraw/zinc/37/96/52/565379652.db2.gz XRZKZULZVMRMJS-ZDUSSCGKSA-N 1 0 381.318 2.901 20 0 GFADRO Cc1c(C(=O)NCC2([NH3+])CCCC2)cnn1-c1ccc(Br)cc1 ZINC000662652979 565380432 /nfs/dbraw/zinc/38/04/32/565380432.db2.gz TUOXEMYFXIAWGQ-UHFFFAOYSA-N 1 0 377.286 2.945 20 0 GFADRO O=C([C@@H]1C[C@H]1C1CC[NH2+]CC1)N1CCN(c2ccc(Br)cc2)CC1 ZINC000662656224 565380460 /nfs/dbraw/zinc/38/04/60/565380460.db2.gz NXFMTGGQUHVLSF-ZWKOTPCHSA-N 1 0 392.341 2.733 20 0 GFADRO N[C@H](C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1)c1ccccc1Br ZINC000662667521 565380956 /nfs/dbraw/zinc/38/09/56/565380956.db2.gz BSYOBKOZWWJFJX-GUYCJALGSA-N 1 0 380.330 2.972 20 0 GFADRO C[C@@H](Sc1cc(Cl)ccc1Cl)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000662753012 565384254 /nfs/dbraw/zinc/38/42/54/565384254.db2.gz WMMSUIUEPCVVHA-MRVPVSSYSA-N 1 0 387.292 2.745 20 0 GFADRO C[C@@H](Cc1ccc(Br)cc1)C(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000620480673 565385995 /nfs/dbraw/zinc/38/59/95/565385995.db2.gz IIVIPBAKODHUFE-KSSFIOAISA-N 1 0 395.341 2.685 20 0 GFADRO CCOc1c(Br)cc(C(=O)Nc2nn(C)c(C)c2C[NH3+])cc1OC ZINC000662838888 565386784 /nfs/dbraw/zinc/38/67/84/565386784.db2.gz MAMOQIUTAORDPB-UHFFFAOYSA-N 1 0 397.273 2.609 20 0 GFADRO O=C(N[C@H]1CCC[N@@H+]2CCCC[C@H]12)c1sc2c(c1Br)CNC2 ZINC000662835626 565387017 /nfs/dbraw/zinc/38/70/17/565387017.db2.gz QLFNONQSHSMZPN-NWDGAFQWSA-N 1 0 384.343 2.861 20 0 GFADRO C[C@]([NH3+])(C(=O)N[C@@H]1COc2cc(F)ccc2C1)c1ccc(Br)cc1 ZINC000662874208 565388666 /nfs/dbraw/zinc/38/86/66/565388666.db2.gz GOCBFZYSYZNXGI-MAUKXSAKSA-N 1 0 393.256 2.882 20 0 GFADRO CC(C)([NH3+])c1cc(C(=O)N2CCOc3cc(Br)ccc3C2)on1 ZINC000662938773 565389919 /nfs/dbraw/zinc/38/99/19/565389919.db2.gz HUADTBLSCXITSB-UHFFFAOYSA-N 1 0 380.242 2.666 20 0 GFADRO O=C(N1CCOc2cc(Br)ccc2C1)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662939899 565390118 /nfs/dbraw/zinc/39/01/18/565390118.db2.gz QLUMRCIESDIZEB-CQSZACIVSA-N 1 0 393.203 2.712 20 0 GFADRO C[NH2+]C[C@@H](C)NC(=O)c1nn(-c2ccc(Br)cc2)c2c1CCCC2 ZINC000662960002 565391263 /nfs/dbraw/zinc/39/12/63/565391263.db2.gz NWIPYWIUXQRMBB-GFCCVEGCSA-N 1 0 391.313 2.851 20 0 GFADRO COCC1(C[NH2+]Cc2cc(I)c(OC)c(OC)c2)CC1 ZINC000594514904 565397150 /nfs/dbraw/zinc/39/71/50/565397150.db2.gz MBMDLNAWWGTCTB-UHFFFAOYSA-N 1 0 391.249 2.825 20 0 GFADRO O=C(NC[C@@H]1CC[N@@H+]1Cc1ccccc1)c1cc[nH]c(=O)c1Br ZINC000620786357 565397226 /nfs/dbraw/zinc/39/72/26/565397226.db2.gz ZQKHQVQACWAUCY-ZDUSSCGKSA-N 1 0 376.254 2.554 20 0 GFADRO C[C@H]1OCC[C@@]1(O)C[NH2+]Cc1cc(Br)sc1Br ZINC000641750780 565397338 /nfs/dbraw/zinc/39/73/38/565397338.db2.gz NDCWTYKTWWQQEZ-RDDDGLTNSA-N 1 0 385.121 2.903 20 0 GFADRO O=C(CCn1cc(Br)cn1)N1CC[NH+](CC2CCCCC2)CC1 ZINC000620803501 565398259 /nfs/dbraw/zinc/39/82/59/565398259.db2.gz ZCNULRKZPRWKDD-UHFFFAOYSA-N 1 0 383.334 2.760 20 0 GFADRO CC(C)([NH3+])CCNS(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCCCO1 ZINC000641806801 565399730 /nfs/dbraw/zinc/39/97/30/565399730.db2.gz UATXPQURFMQBTC-CQSZACIVSA-N 1 0 390.933 2.694 20 0 GFADRO C[C@H]([NH2+][C@H]1CCCN(CCN2CCOCC2)C1)c1cccc(Br)c1 ZINC000641788607 565400167 /nfs/dbraw/zinc/40/01/67/565400167.db2.gz TUFHGCNTFHEEPK-LPHOPBHVSA-N 1 0 396.373 2.896 20 0 GFADRO C[NH+](C)CCC[C@@H]1CN(C(=O)COc2c(Cl)cccc2Cl)CCO1 ZINC000620964087 565402277 /nfs/dbraw/zinc/40/22/77/565402277.db2.gz UECRDRPJHFXQPO-CYBMUJFWSA-N 1 0 375.296 2.941 20 0 GFADRO COC(=O)C1(C[NH2+]Cc2cn(-c3ccccc3Br)nc2C)CC1 ZINC000594611793 565403104 /nfs/dbraw/zinc/40/31/04/565403104.db2.gz KVXGWJCUBNRMET-UHFFFAOYSA-N 1 0 378.270 2.986 20 0 GFADRO CN(C)c1nc2sc(C(=O)N3CCO[C@H](CCC[NH+](C)C)C3)cc2s1 ZINC000620968267 565403369 /nfs/dbraw/zinc/40/33/69/565403369.db2.gz PHDWPKXMBCPCIL-GFCCVEGCSA-N 1 0 382.555 2.607 20 0 GFADRO Cc1ccc(CC(=O)N2CCO[C@H](CCC[NH+](C)C)C2)cc1Br ZINC000620977057 565403409 /nfs/dbraw/zinc/40/34/09/565403409.db2.gz RBNQWJVOEXGCEV-MRXNPFEDSA-N 1 0 383.330 2.869 20 0 GFADRO C[NH+](C)CCC[C@H]1CN(C(=O)c2cc(Br)cc3nc[nH]c32)CCO1 ZINC000620975893 565403447 /nfs/dbraw/zinc/40/34/47/565403447.db2.gz CUUOXXNQOVXDOQ-ZDUSSCGKSA-N 1 0 395.301 2.508 20 0 GFADRO C[C@H](CC(=O)NC[C@H]1CCC[N@H+](CC2CC2)C1)n1cc(Br)cn1 ZINC000621099750 565405859 /nfs/dbraw/zinc/40/58/59/565405859.db2.gz AJCQXADGLKKZFS-UKRRQHHQSA-N 1 0 383.334 2.835 20 0 GFADRO CC(C)[C@H]1CN(C(=O)C2CCN(C(=O)c3ccc(Cl)s3)CC2)CC[NH2+]1 ZINC000621152457 565407941 /nfs/dbraw/zinc/40/79/41/565407941.db2.gz XFDADKGQXSMFPW-CQSZACIVSA-N 1 0 383.945 2.710 20 0 GFADRO CC(C)[C@H]1CN(C(=O)c2ccn(-c3ccc(Br)cc3)n2)CC[NH2+]1 ZINC000621159922 565408026 /nfs/dbraw/zinc/40/80/26/565408026.db2.gz VKDZUETUFPVSMD-MRXNPFEDSA-N 1 0 377.286 2.705 20 0 GFADRO CN([C@H](C[NH3+])C(F)(F)F)S(=O)(=O)c1cc(Cl)cc(C(F)(F)F)c1 ZINC000663311353 565411297 /nfs/dbraw/zinc/41/12/97/565411297.db2.gz MOYIFNLVTIQAJS-SECBINFHSA-N 1 0 384.729 2.869 20 0 GFADRO CN([C@H](C[NH3+])C(F)(F)F)S(=O)(=O)c1cc(Cl)cc(Br)c1 ZINC000663309837 565411725 /nfs/dbraw/zinc/41/17/25/565411725.db2.gz RUAPHGLQNBARJB-SECBINFHSA-N 1 0 395.628 2.613 20 0 GFADRO CC[NH+]1CCN([C@@H](C)CN=c2[nH]c3c(cccc3Br)s2)CC1 ZINC000621253025 565412093 /nfs/dbraw/zinc/41/20/93/565412093.db2.gz NJPZAESPHXEHHG-LBPRGKRZSA-N 1 0 383.359 2.919 20 0 GFADRO COc1cc(C[NH2+][C@H]2CCCC[C@@H]2N2CCOCC2)c(Br)cn1 ZINC000621285387 565415772 /nfs/dbraw/zinc/41/57/72/565415772.db2.gz XHTYPXRDWMSWHG-HOTGVXAUSA-N 1 0 384.318 2.586 20 0 GFADRO COc1cc(CN2CCN(c3cc[nH+]cc3OC)CC2)c(Br)cn1 ZINC000621289126 565415870 /nfs/dbraw/zinc/41/58/70/565415870.db2.gz VKKPAHNEPKXLET-UHFFFAOYSA-N 1 0 393.285 2.579 20 0 GFADRO OCC[C@@H]1CN(Cc2cncc(Cl)c2)CCN1Cc1cncc(Cl)c1 ZINC000621298150 565416466 /nfs/dbraw/zinc/41/64/66/565416466.db2.gz KWDYKHYVHUPAME-GOSISDBHSA-N 1 0 381.307 2.852 20 0 GFADRO C[C@H](NC(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1)c1c(Cl)ccc(F)c1Cl ZINC000642719769 565417795 /nfs/dbraw/zinc/41/77/95/565417795.db2.gz CVRZRWSVKRXNGV-KWBADKCTSA-N 1 0 388.270 2.520 20 0 GFADRO CCOc1cncc(C[NH2+]CCNS(=O)(=O)c2ccc(Cl)cc2C)c1 ZINC000621354469 565421513 /nfs/dbraw/zinc/42/15/13/565421513.db2.gz KVNKQGNXLZRZBQ-UHFFFAOYSA-N 1 0 383.901 2.510 20 0 GFADRO C[NH+]1CCC(N2CC[C@@H](Nc3nc(C4CC4)ncc3Br)C2)CC1 ZINC000663596410 565428061 /nfs/dbraw/zinc/42/80/61/565428061.db2.gz HHAIILWXEXZRTG-CYBMUJFWSA-N 1 0 380.334 2.697 20 0 GFADRO C[NH+]1CCN(C(C)(C)CNC(=O)N2CCc3c2cccc3Br)CC1 ZINC000643376612 565431197 /nfs/dbraw/zinc/43/11/97/565431197.db2.gz OHRDPAJAANHLGV-UHFFFAOYSA-N 1 0 395.345 2.547 20 0 GFADRO CN(Cc1ccc(Cl)s1)C(=O)C(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000643477214 565433859 /nfs/dbraw/zinc/43/38/59/565433859.db2.gz YLUMKEXPRXPTGG-KGLIPLIRSA-N 1 0 383.945 2.598 20 0 GFADRO CC(C)N(Cc1ccc(Br)cc1)C(=O)C(=O)N1CCC(C)([NH3+])CC1 ZINC000643487691 565434443 /nfs/dbraw/zinc/43/44/43/565434443.db2.gz IQTLLDRZFYMXHM-UHFFFAOYSA-N 1 0 396.329 2.526 20 0 GFADRO O=C(CC[C@H]1CCC[NH2+]C1)NCc1nc(-c2cccc(Br)c2)no1 ZINC000621663521 565435921 /nfs/dbraw/zinc/43/59/21/565435921.db2.gz PQIHDLOHDMAHST-GFCCVEGCSA-N 1 0 393.285 2.895 20 0 GFADRO [NH3+][C@]12CCC[C@H]1CN(C(=O)C1CCN(C(=O)c3ccc(Cl)s3)CC1)C2 ZINC000621694179 565437121 /nfs/dbraw/zinc/43/71/21/565437121.db2.gz CTQCJDWAXZKCRJ-UGSOOPFHSA-N 1 0 381.929 2.594 20 0 GFADRO [NH3+][C@]12CCC[C@H]1CN(C(=O)C1(c3ccc(Br)cc3)CCOCC1)C2 ZINC000621697614 565438068 /nfs/dbraw/zinc/43/80/68/565438068.db2.gz LCRSXLUTBLMQSZ-KXBFYZLASA-N 1 0 393.325 2.837 20 0 GFADRO C[NH+](C)CCC[C@@H]1CN(C(=O)NCc2cccc(Br)c2)CCO1 ZINC000663855972 565439536 /nfs/dbraw/zinc/43/95/36/565439536.db2.gz KQQKFCLHTWOHCR-MRXNPFEDSA-N 1 0 384.318 2.701 20 0 GFADRO Ic1ccc2c(c1)[C@H]([NH2+]CCOC[C@H]1CCOC1)CC2 ZINC000595015385 565442001 /nfs/dbraw/zinc/44/20/01/565442001.db2.gz DGYXAXFFHABHMR-BLLLJJGKSA-N 1 0 387.261 2.921 20 0 GFADRO OC1(CCNc2ncnc(NCCC3(O)CCC3)c2Br)CCC1 ZINC000663890793 565442409 /nfs/dbraw/zinc/44/24/09/565442409.db2.gz UFMRLVZGAGQKPD-UHFFFAOYSA-N 1 0 385.306 2.673 20 0 GFADRO [NH3+]CC1(CCNC(=O)NCC(F)(F)c2ccc(Br)cc2)CC1 ZINC000621849309 565445204 /nfs/dbraw/zinc/44/52/04/565445204.db2.gz RMIJCNOXCGABNT-UHFFFAOYSA-N 1 0 376.245 2.969 20 0 GFADRO Ic1ccc2c(c1)[C@H]([NH2+]CC1(N3CCOCC3)CC1)CC2 ZINC000595045480 565445650 /nfs/dbraw/zinc/44/56/50/565445650.db2.gz MWJOCTHDOQNPGD-MRXNPFEDSA-N 1 0 398.288 2.733 20 0 GFADRO C[C@H](CNC(=O)c1cc(Br)c[nH]c1=O)[N@H+](C)Cc1ccccc1 ZINC000621863743 565446397 /nfs/dbraw/zinc/44/63/97/565446397.db2.gz HSVBIPZGPHJGDG-GFCCVEGCSA-N 1 0 378.270 2.800 20 0 GFADRO CSC[C@H]([NH2+]C[C@]1(OCCO)CCOC1)c1ccc(C(F)(F)F)cc1 ZINC000595080741 565446925 /nfs/dbraw/zinc/44/69/25/565446925.db2.gz YZTLXGJNMQHLEJ-JKSUJKDBSA-N 1 0 379.444 2.867 20 0 GFADRO C[N@H+](CCNC(=O)N1CCOC[C@@H]1c1ccc(Br)cc1)C1CC1 ZINC000664094089 565451932 /nfs/dbraw/zinc/45/19/32/565451932.db2.gz KMDMFZANNXBOEI-MRXNPFEDSA-N 1 0 382.302 2.626 20 0 GFADRO Brc1ccc(N2CC[C@H]([NH2+]C[C@@H]3CNc4ccnn4C3)C2)cc1 ZINC000595148560 565452294 /nfs/dbraw/zinc/45/22/94/565452294.db2.gz YTZSUNBSVGZOJJ-HIFRSBDPSA-N 1 0 376.302 2.556 20 0 GFADRO [NH3+][C@@]12CCC[C@H]1CN(S(=O)(=O)c1ccc(Br)cc1Cl)C2 ZINC000622013713 565455293 /nfs/dbraw/zinc/45/52/93/565455293.db2.gz UUDYPDIRWRLZNR-TVQRCGJNSA-N 1 0 379.707 2.604 20 0 GFADRO [NH3+][C@]12CCC[C@@H]1CN(S(=O)(=O)c1cc(Br)ccc1Cl)C2 ZINC000622012821 565455611 /nfs/dbraw/zinc/45/56/11/565455611.db2.gz GPUWXSGFIADABC-RNCFNFMXSA-N 1 0 379.707 2.604 20 0 GFADRO [NH3+][C@@]12CCC[C@@H]1CN(S(=O)(=O)c1cc(Br)sc1Cl)C2 ZINC000622013198 565455664 /nfs/dbraw/zinc/45/56/64/565455664.db2.gz MCNORAYRZWNDHJ-RDDDGLTNSA-N 1 0 385.736 2.666 20 0 GFADRO O=C(Nc1ccnn1Cc1cccc(Br)c1)[C@H]1C[NH2+]CCC1(F)F ZINC000644041409 565455969 /nfs/dbraw/zinc/45/59/69/565455969.db2.gz AONWNCSRTXCHPC-CYBMUJFWSA-N 1 0 399.239 2.877 20 0 GFADRO C[C@@H](Cc1ccc(F)c(Br)c1)NC(=O)[C@H]1C[NH2+]CCC1(F)F ZINC000644055276 565456388 /nfs/dbraw/zinc/45/63/88/565456388.db2.gz IEBSYFXGKKQZKG-GXSJLCMTSA-N 1 0 379.220 2.880 20 0 GFADRO O=C(N[C@H]1CC[N@@H+](C2CCCCC2)C1)c1nc2ccc(Br)cn2n1 ZINC000664379201 565461275 /nfs/dbraw/zinc/46/12/75/565461275.db2.gz DMMVAQPFFOYUBS-ZDUSSCGKSA-N 1 0 392.301 2.629 20 0 GFADRO C[C@H](CCNC(=O)N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)[NH+](C)C ZINC000664601900 565469092 /nfs/dbraw/zinc/46/90/92/565469092.db2.gz ZGTLMVXYYZTMSQ-ABAIWWIYSA-N 1 0 387.311 2.738 20 0 GFADRO C[N@H+]1C[C@H]2[C@@H](CCN2S(=O)(=O)c2cc(Cl)ccc2OCC2CCC2)C1 ZINC000644299288 565471255 /nfs/dbraw/zinc/47/12/55/565471255.db2.gz ISXSDVJYHXZLDQ-HOCLYGCPSA-N 1 0 384.929 2.844 20 0 GFADRO C[NH+](C)C[C@@H]1COC2(CCCC2)CN1C(=O)c1ncsc1C(F)(F)F ZINC000622755086 565473256 /nfs/dbraw/zinc/47/32/56/565473256.db2.gz QFPTXVADXOJMIP-LLVKDONJSA-N 1 0 377.432 2.877 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc3c(cc2Br)OCO3)[C@@H](C)C1 ZINC000622812433 565475692 /nfs/dbraw/zinc/47/56/92/565475692.db2.gz UEIPEXKASBUIGI-FZMZJTMJSA-N 1 0 383.286 2.980 20 0 GFADRO O[C@]1(C(F)(F)F)CC[C@H]([NH2+]Cc2cn(-c3ccc(F)cc3Cl)nn2)C1 ZINC000644422705 565477270 /nfs/dbraw/zinc/47/72/70/565477270.db2.gz NHXDMOSHYYNNIB-IINYFYTJSA-N 1 0 378.757 2.995 20 0 GFADRO C[C@@H]1CN(CCNC(=O)N[C@@H]2C[C@H]2c2cccc(Br)c2)[C@@H](C)CO1 ZINC000664777234 565478578 /nfs/dbraw/zinc/47/85/78/565478578.db2.gz AHOOWBHXRWSVJW-UWWPHRKUSA-N 1 0 396.329 2.713 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CC[NH2+]C[C@](C)(O)C(F)(F)F ZINC000644533197 565480414 /nfs/dbraw/zinc/48/04/14/565480414.db2.gz DOIFZMQWALGAOX-ZDUSSCGKSA-N 1 0 383.208 2.989 20 0 GFADRO CCN(C(=O)N[C@H]1COc2cc(F)c(Br)cc21)[C@@H]1CC[N@H+](C)C1 ZINC000664834304 565481410 /nfs/dbraw/zinc/48/14/10/565481410.db2.gz VUCBSZNVLAPUSS-YGRLFVJLSA-N 1 0 386.265 2.757 20 0 GFADRO C[NH+](C)CCC[C@H]1CN(C(=O)NCc2ccsc2Br)CCO1 ZINC000664838972 565481697 /nfs/dbraw/zinc/48/16/97/565481697.db2.gz WXRJFTYKSDOLAP-ZDUSSCGKSA-N 1 0 390.347 2.763 20 0 GFADRO CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+]C[C@@H](O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000644573394 565482955 /nfs/dbraw/zinc/48/29/55/565482955.db2.gz ZUXHZJWBUZUJRP-OUCADQQQSA-N 1 0 396.336 2.679 20 0 GFADRO CN(C)[C@]1(C[NH2+]C[C@@H](O)COc2ccc(Cl)c(Cl)c2)CCSC1 ZINC000644583379 565483012 /nfs/dbraw/zinc/48/30/12/565483012.db2.gz YICSDXOQYCSTFC-WBMJQRKESA-N 1 0 379.353 2.760 20 0 GFADRO COCC[N@@H+]1CCC[C@@H](NC(=O)c2c(C)ccc(Br)c2OC)C1 ZINC000644628026 565485347 /nfs/dbraw/zinc/48/53/47/565485347.db2.gz GVWYPRIOYVXNRI-CYBMUJFWSA-N 1 0 385.302 2.607 20 0 GFADRO O=S1(=O)CCC(CC[NH2+]C[C@H](O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000644612453 565485406 /nfs/dbraw/zinc/48/54/06/565485406.db2.gz GGZIMTGMBMZWCJ-ZDUSSCGKSA-N 1 0 396.336 2.538 20 0 GFADRO COCCc1ccc(OC[C@@H](O)C[NH2+]Cc2ccc(Br)o2)cc1 ZINC000644628535 565485534 /nfs/dbraw/zinc/48/55/34/565485534.db2.gz XZHGOQDVLDSDQX-AWEZNQCLSA-N 1 0 384.270 2.761 20 0 GFADRO CC(=O)N1CCC[C@@H](C[NH2+]CCC(=O)Nc2cccc(Br)c2)C1 ZINC000644636477 565486737 /nfs/dbraw/zinc/48/67/37/565486737.db2.gz UFZWFFPSXSGWGU-AWEZNQCLSA-N 1 0 382.302 2.626 20 0 GFADRO CCOC[C@H]([NH2+]C[C@H](O)COc1cc(F)cc(Br)c1)C(C)C ZINC000644630993 565486762 /nfs/dbraw/zinc/48/67/62/565486762.db2.gz VENHQZRQGPYNRM-HOCLYGCPSA-N 1 0 378.282 2.979 20 0 GFADRO CCn1cc(C[NH2+]C[C@@H](O)COc2ccc(Cl)cc2Br)cn1 ZINC000644645764 565487501 /nfs/dbraw/zinc/48/75/01/565487501.db2.gz FHAIOYJLGPJYTC-CYBMUJFWSA-N 1 0 388.693 2.848 20 0 GFADRO Cc1ccc(Br)c(CNC(=O)NCCN2C[C@@H](C)OC[C@@H]2C)c1 ZINC000665141441 565490985 /nfs/dbraw/zinc/49/09/85/565490985.db2.gz BGMIHFUUSPZQBA-UONOGXRCSA-N 1 0 384.318 2.666 20 0 GFADRO OC[C@@H]([NH2+]Cc1coc(-c2ccc(Br)cc2)n1)[C@H]1CCCOC1 ZINC000665194205 565492168 /nfs/dbraw/zinc/49/21/68/565492168.db2.gz BRQVFBWUYNFQQY-XJKSGUPXSA-N 1 0 381.270 2.981 20 0 GFADRO COC(=O)c1ccc(C[N@@H+]2CC[C@H](CN3CCCC3=O)C2)c(Br)c1 ZINC000595827055 565492516 /nfs/dbraw/zinc/49/25/16/565492516.db2.gz ADUQDROZUBJJML-ZDUSSCGKSA-N 1 0 395.297 2.680 20 0 GFADRO C[C@@H]1CSc2ccc(Br)cc2[C@H]1NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000665292218 565495789 /nfs/dbraw/zinc/49/57/89/565495789.db2.gz WEKBIIWUJCGTQX-ABKXIKBNSA-N 1 0 395.326 2.976 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C(=O)N1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000644811363 565496175 /nfs/dbraw/zinc/49/61/75/565496175.db2.gz ABLFUNSHKANWNR-SUMWQHHRSA-N 1 0 389.297 2.719 20 0 GFADRO COc1ccc([C@@H](NCc2nc(C[NH3+])cc(=O)[nH]2)C(C)C)c(Br)c1 ZINC000665293224 565496195 /nfs/dbraw/zinc/49/61/95/565496195.db2.gz VXTLJJNJIRGXOH-KRWDZBQOSA-N 1 0 395.301 2.899 20 0 GFADRO C[C@H](CC(=O)c1cccc(Br)c1)C(=O)N1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC000644811812 565496795 /nfs/dbraw/zinc/49/67/95/565496795.db2.gz BQVNKLOXRUFMOS-INWMFGNUSA-N 1 0 379.298 2.821 20 0 GFADRO Cc1ccc(NC(=O)c2cn[nH]c2[C@@H]2CC[NH2+]C2)cc1I ZINC000595917896 565498682 /nfs/dbraw/zinc/49/86/82/565498682.db2.gz PGBZIEQPCKVSBY-SNVBAGLBSA-N 1 0 396.232 2.652 20 0 GFADRO Cc1cc(C[NH2+]Cc2ccc(CS(C)(=O)=O)cc2)ncc1Br ZINC000623363856 565505195 /nfs/dbraw/zinc/50/51/95/565505195.db2.gz JBHHYSURBBEVFL-UHFFFAOYSA-N 1 0 383.311 2.987 20 0 GFADRO C[C@@H]([NH2+]Cc1c[nH]nc1-c1ccc(Br)s1)[C@@H]1CN(C)CCO1 ZINC000623454644 565512014 /nfs/dbraw/zinc/51/20/14/565512014.db2.gz MVTLNHIJPJMGKP-PWSUYJOCSA-N 1 0 385.331 2.709 20 0 GFADRO O=S(=O)(C[C@H](O)C[NH2+]Cc1ccsc1C(F)(F)F)c1cccs1 ZINC000623470259 565513259 /nfs/dbraw/zinc/51/32/59/565513259.db2.gz GLYYQHKYMCGKOV-SNVBAGLBSA-N 1 0 385.454 2.753 20 0 GFADRO O=C(COc1ccc(F)cc1Br)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000645112881 565513521 /nfs/dbraw/zinc/51/35/21/565513521.db2.gz TUNQTAXNPVDZBU-SWLSCSKDSA-N 1 0 385.277 2.958 20 0 GFADRO C[C@@H](O)C[C@H](C)[NH2+]Cc1cc(Cl)cc(Cl)c1OCCN1CCOCC1 ZINC000623489206 565514103 /nfs/dbraw/zinc/51/41/03/565514103.db2.gz UVRSGYYTWDUIOT-UONOGXRCSA-N 1 0 391.339 2.953 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)C[C@H]1CCCC[C@@H]1[NH3+] ZINC000645164500 565514711 /nfs/dbraw/zinc/51/47/11/565514711.db2.gz OKHPETIUWNHIQD-OCCSQVGLSA-N 1 0 382.302 2.720 20 0 GFADRO CCC(=O)N[C@H]1CCC[N@H+](C[C@@H](O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000623511115 565515302 /nfs/dbraw/zinc/51/53/02/565515302.db2.gz CXCRNGAUMSOZMV-QWHCGFSZSA-N 1 0 375.296 2.724 20 0 GFADRO Cc1nc(-c2cccs2)c(CC(=O)N[C@@H](CO)C[NH+]2CCCCC2)s1 ZINC000665889996 565515393 /nfs/dbraw/zinc/51/53/93/565515393.db2.gz RVCSQWRABYJMOK-CQSZACIVSA-N 1 0 379.551 2.686 20 0 GFADRO C[C@@H]1[C@@H]([NH+](C)C)CCN1c1ncnc2cccc(I)c21 ZINC000596243624 565516393 /nfs/dbraw/zinc/51/63/93/565516393.db2.gz IQOZSANBJIFGRL-MFKMUULPSA-N 1 0 382.249 2.763 20 0 GFADRO C[C@H]([NH2+]C[C@@H](O)COC1CCOCC1)c1ccc(F)c(Br)c1 ZINC000645194511 565516894 /nfs/dbraw/zinc/51/68/94/565516894.db2.gz IKDKBEYWGOIGKP-WCQYABFASA-N 1 0 376.266 2.795 20 0 GFADRO Cc1ccc(Br)c(S(=O)(=O)NCC[NH2+]Cc2ccnc(C)c2)c1 ZINC000623524279 565516926 /nfs/dbraw/zinc/51/69/26/565516926.db2.gz MRVHXRNZEQOAAY-UHFFFAOYSA-N 1 0 398.326 2.529 20 0 GFADRO Fc1ccc(-n2cc(C[NH2+]CCCn3cc(Br)cn3)nn2)cc1 ZINC000623526255 565517110 /nfs/dbraw/zinc/51/71/10/565517110.db2.gz UAZBBYKMHLQJOJ-UHFFFAOYSA-N 1 0 379.237 2.545 20 0 GFADRO CN1CCC([N@@H+]2CC[C@H](NC(=O)N3CCc4sc(Cl)cc4C3)C2)CC1 ZINC000645233375 565517759 /nfs/dbraw/zinc/51/77/59/565517759.db2.gz DCEJNFYIYKGQGM-AWEZNQCLSA-N 1 0 382.961 2.638 20 0 GFADRO CS(=O)(=O)CCCC[NH2+]Cc1c[nH]nc1-c1ccc(Br)s1 ZINC000623554224 565518208 /nfs/dbraw/zinc/51/82/08/565518208.db2.gz WHNLVEHERWHROQ-UHFFFAOYSA-N 1 0 392.344 2.815 20 0 GFADRO CSc1cc(Br)ccc1C[NH2+]CCCN1CCC[C@H]1C(N)=O ZINC000623618848 565520728 /nfs/dbraw/zinc/52/07/28/565520728.db2.gz HQPRFIFCOGEQGN-AWEZNQCLSA-N 1 0 386.359 2.600 20 0 GFADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNCc1csc(-c2ccc(Cl)cc2)n1 ZINC000623617712 565520884 /nfs/dbraw/zinc/52/08/84/565520884.db2.gz LIIONRGRVBHDBO-INIZCTEOSA-N 1 0 378.929 2.893 20 0 GFADRO C[C@H]([NH2+][C@H]1CCN(c2ccc3nncn3n2)C1)c1ccc(Br)s1 ZINC000623651632 565523613 /nfs/dbraw/zinc/52/36/13/565523613.db2.gz QXZBINTWXGTOPI-QWRGUYRKSA-N 1 0 393.314 2.878 20 0 GFADRO Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[NH2+][C@@H]1CCS(=O)(=O)[C@@H]1C ZINC000623719226 565526855 /nfs/dbraw/zinc/52/68/55/565526855.db2.gz MHSAGDSJBLAOHJ-RDTXWAMCSA-N 1 0 381.929 2.867 20 0 GFADRO C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)NCCO[C@@H]1CC1(F)F ZINC000666213809 565528319 /nfs/dbraw/zinc/52/83/19/565528319.db2.gz MBDCMMMQRDHDTM-OAHLLOKOSA-N 1 0 375.847 2.837 20 0 GFADRO C[NH+](C)CCN(Cc1cccc(Cl)c1)S(=O)(=O)CCC[C@@H]1CCOC1 ZINC000645494895 565531464 /nfs/dbraw/zinc/53/14/64/565531464.db2.gz KRUQWPPPXWCSQM-MRXNPFEDSA-N 1 0 388.961 2.850 20 0 GFADRO O=S(=O)(CC[NH2+][C@H]1CCc2cc(F)c(Cl)cc21)NC[C@@H]1CCCCO1 ZINC000623913703 565535290 /nfs/dbraw/zinc/53/52/90/565535290.db2.gz YMZGRERIJCKNCF-GUYCJALGSA-N 1 0 390.908 2.545 20 0 GFADRO CN(CC1C[NH+](C)C1)C(=O)Nc1cc(I)ccc1Cl ZINC000596790183 565535598 /nfs/dbraw/zinc/53/55/98/565535598.db2.gz LQIBFMOPFCFZEV-UHFFFAOYSA-N 1 0 393.656 2.970 20 0 GFADRO C[C@H](Nc1cnn(-c2ccccn2)c(=O)c1Br)C1CC[NH+](C)CC1 ZINC000623969681 565537212 /nfs/dbraw/zinc/53/72/12/565537212.db2.gz PWGDWZRKVMSKIW-LBPRGKRZSA-N 1 0 392.301 2.532 20 0 GFADRO CCOCCOC[C@@H](O)C[NH2+][C@H](C)c1cc(F)c(Br)cc1F ZINC000623970195 565537476 /nfs/dbraw/zinc/53/74/76/565537476.db2.gz HUNVGIURYARFLC-MNOVXSKESA-N 1 0 382.245 2.792 20 0 GFADRO CC(C)(Oc1ccc(Br)cc1)C(=O)NCCCC[NH+]1CCOCC1 ZINC000666469509 565538872 /nfs/dbraw/zinc/53/88/72/565538872.db2.gz BAKZJMMVSPLMKB-UHFFFAOYSA-N 1 0 399.329 2.835 20 0 GFADRO C[C@H]1C[C@H](NS(=O)(=O)c2cc(Cl)ccc2OC(F)(F)F)CC[N@@H+]1C ZINC000645565782 565539242 /nfs/dbraw/zinc/53/92/42/565539242.db2.gz VNYSJCZFVMZEGA-GXSJLCMTSA-N 1 0 386.823 3.000 20 0 GFADRO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@@H](n1cccn1)C(F)(F)F ZINC000624044286 565540209 /nfs/dbraw/zinc/54/02/09/565540209.db2.gz MGIJSLFQTHDHJX-CMPLNLGQSA-N 1 0 393.207 2.589 20 0 GFADRO C[C@@H]([NH2+]Cc1c(C(F)(F)F)cnn1C)c1cccc(NS(C)(=O)=O)c1 ZINC000624052562 565541644 /nfs/dbraw/zinc/54/16/44/565541644.db2.gz IRZXUBKCAUBVJH-SNVBAGLBSA-N 1 0 376.404 2.661 20 0 GFADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCN[C@H](c1ccc(Br)cc1)C(F)F ZINC000624087008 565542343 /nfs/dbraw/zinc/54/23/43/565542343.db2.gz COKGNWMIECDGLI-UONOGXRCSA-N 1 0 390.272 2.685 20 0 GFADRO Brc1cccc2c1CC[C@H]2[NH2+][C@H]1CCN(c2ccc3nncn3n2)C1 ZINC000624115851 565543911 /nfs/dbraw/zinc/54/39/11/565543911.db2.gz DROIFIWCOWUQQJ-BLLLJJGKSA-N 1 0 399.296 2.743 20 0 GFADRO C[NH+](C)C1CCN(C(=O)Nc2ccc(I)cc2F)CC1 ZINC000597018893 565546335 /nfs/dbraw/zinc/54/63/35/565546335.db2.gz UIGJUAKHHJJGNC-UHFFFAOYSA-N 1 0 391.228 2.988 20 0 GFADRO O=C(NCC1C[NH2+]C1)Nc1ncc(Cc2ccc(Br)cc2)s1 ZINC000666684366 565547966 /nfs/dbraw/zinc/54/79/66/565547966.db2.gz FTCMTCUDRRVBBG-UHFFFAOYSA-N 1 0 381.299 2.837 20 0 GFADRO C[C@@H](NC(=O)c1cc(Br)c2c(c1)OCCO2)C1CC[NH+](C)CC1 ZINC000624270853 565550038 /nfs/dbraw/zinc/55/00/38/565550038.db2.gz HUVCBOJRIYMLHD-LLVKDONJSA-N 1 0 383.286 2.680 20 0 GFADRO COC(=O)c1ccc(C[NH2+]Cc2ccc3c(c2)CCS3(=O)=O)cc1Cl ZINC000597064514 565550251 /nfs/dbraw/zinc/55/02/51/565550251.db2.gz VATYZSPRSBXNNB-UHFFFAOYSA-N 1 0 379.865 2.746 20 0 GFADRO Cc1nc(C)c(Br)c(NC[C@H](CO)Cc2ccncc2Cl)n1 ZINC000624360310 565552517 /nfs/dbraw/zinc/55/25/17/565552517.db2.gz DVNWTBPVPUPZCR-LLVKDONJSA-N 1 0 385.693 2.589 20 0 GFADRO O=S(=O)(Cc1ccc(Br)cc1Cl)N[C@@H]1CC[NH2+]C12CCC2 ZINC000624379295 565553417 /nfs/dbraw/zinc/55/34/17/565553417.db2.gz IDWLLWNTJBMGSS-CYBMUJFWSA-N 1 0 393.734 2.807 20 0 GFADRO CN1CC[NH+](CC2CN(c3ccc(Br)c(C(F)(F)F)n3)C2)CC1 ZINC000624365436 565553651 /nfs/dbraw/zinc/55/36/51/565553651.db2.gz WWEZGIHPWZRVRN-UHFFFAOYSA-N 1 0 393.251 2.547 20 0 GFADRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC[C@@H]1C(F)(F)F ZINC000624389506 565554408 /nfs/dbraw/zinc/55/44/08/565554408.db2.gz CJKHPXRNMWEGEJ-ZBFHGGJFSA-N 1 0 376.444 2.713 20 0 GFADRO CC[NH+]1CCN([C@H]2CCN(C(=O)c3cc(Br)cc(C)c3C)C2)CC1 ZINC000597167311 565554417 /nfs/dbraw/zinc/55/44/17/565554417.db2.gz UOYWAAKDANDCRN-KRWDZBQOSA-N 1 0 394.357 2.918 20 0 GFADRO CC(C)Oc1ccc(S(=O)(=O)N2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1 ZINC000624390514 565554592 /nfs/dbraw/zinc/55/45/92/565554592.db2.gz CWADCOFMACONPI-SWLSCSKDSA-N 1 0 380.432 2.622 20 0 GFADRO Cc1cc(S(=O)(=O)N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)sc1Cl ZINC000624391906 565554817 /nfs/dbraw/zinc/55/48/17/565554817.db2.gz GHKQBOKGGPCIDW-BDAKNGLRSA-N 1 0 376.853 2.858 20 0 GFADRO [NH3+]C1(CNS(=O)(=O)c2cccc(Sc3ccccc3)c2)CCOCC1 ZINC000624387954 565554895 /nfs/dbraw/zinc/55/48/95/565554895.db2.gz GYODQAQOZXLYQE-UHFFFAOYSA-N 1 0 378.519 2.624 20 0 GFADRO CCc1cccc(CC)c1S(=O)(=O)N1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000624391281 565554924 /nfs/dbraw/zinc/55/49/24/565554924.db2.gz ULEDESCKZDNUGT-LSDHHAIUSA-N 1 0 378.460 2.959 20 0 GFADRO Cc1cc(S(=O)(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)c(F)cc1Br ZINC000624411239 565555570 /nfs/dbraw/zinc/55/55/70/565555570.db2.gz AYMLRWHOVSXKDX-GASCZTMLSA-N 1 0 391.306 2.517 20 0 GFADRO COC(=O)CN1CCC([NH2+][C@@H]2CSCc3ccc(Br)cc32)CC1 ZINC000597210789 565555477 /nfs/dbraw/zinc/55/54/77/565555477.db2.gz VTNGGMOPDPTCSL-MRXNPFEDSA-N 1 0 399.354 2.964 20 0 GFADRO C[NH2+]CCOCCNS(=O)(=O)c1ccc(Oc2ccc(Cl)cc2)cc1 ZINC000624395638 565555719 /nfs/dbraw/zinc/55/57/19/565555719.db2.gz HROWMGYRIWBCQW-UHFFFAOYSA-N 1 0 384.885 2.647 20 0 GFADRO C[C@@H](CNC(=O)c1cc(Br)cc2c1OCCO2)C[NH+]1CCCC1 ZINC000666755178 565555677 /nfs/dbraw/zinc/55/56/77/565555677.db2.gz CPPWQRLQJAPEJD-LBPRGKRZSA-N 1 0 383.286 2.682 20 0 GFADRO CCOCCOc1ccc(Br)cc1C[NH2+][C@H]1C[C@H](C(=O)OC)C1 ZINC000597244836 565556827 /nfs/dbraw/zinc/55/68/27/565556827.db2.gz UBHMYSPBBSIUFI-NNUKFRKNSA-N 1 0 386.286 2.906 20 0 GFADRO COC(=O)[C@H]1C[C@H]([NH2+]Cc2cn(-c3ccccc3Br)nc2C)C1 ZINC000597243298 565557055 /nfs/dbraw/zinc/55/70/55/565557055.db2.gz GHGCDPMUTCCTNH-MQMHXKEQSA-N 1 0 378.270 2.984 20 0 GFADRO CN(CCn1cc(Br)cn1)C(=O)NC[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000624545450 565562536 /nfs/dbraw/zinc/56/25/36/565562536.db2.gz AOICTRRYBPDQFX-INIZCTEOSA-N 1 0 398.349 2.694 20 0 GFADRO CCC[N@H+](C)C[C@H]1CCN(C(=O)NCc2cc(Br)cnc2OC)C1 ZINC000624632244 565567913 /nfs/dbraw/zinc/56/79/13/565567913.db2.gz MVYPXUKVDPHKMC-CYBMUJFWSA-N 1 0 399.333 2.726 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)Cc1ccc(I)cc1 ZINC000597860068 565578636 /nfs/dbraw/zinc/57/86/36/565578636.db2.gz KZCOSOPERQIAFU-CQSZACIVSA-N 1 0 386.277 2.823 20 0 GFADRO CC[NH2+]CCCNC(=O)C(=O)Nc1cc(C)ccc1SCC(F)(F)F ZINC000667250558 565579086 /nfs/dbraw/zinc/57/90/86/565579086.db2.gz RHTZQIOESPSFOM-UHFFFAOYSA-N 1 0 377.432 2.704 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)CSc1nncs1 ZINC000597886131 565579910 /nfs/dbraw/zinc/57/99/10/565579910.db2.gz NMGYVJXNMPAZFY-HNNXBMFYSA-N 1 0 377.539 2.538 20 0 GFADRO Cc1cc(Br)cc(Cl)c1NC(=O)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000667264206 565580188 /nfs/dbraw/zinc/58/01/88/565580188.db2.gz GBLIRJDJXQUKEQ-LLVKDONJSA-N 1 0 388.693 2.608 20 0 GFADRO CCO[C@@H](CS(=O)(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)C1CC1 ZINC000624934374 565583826 /nfs/dbraw/zinc/58/38/26/565583826.db2.gz FIEBOHNAIALOGQ-YJBOKZPZSA-N 1 0 386.583 2.695 20 0 GFADRO CCN(C(=O)c1scc(C)c1I)[C@@H]1CC[N@H+](C)C1 ZINC000597944508 565583920 /nfs/dbraw/zinc/58/39/20/565583920.db2.gz DMOQHLBMQVNMHS-SNVBAGLBSA-N 1 0 378.279 2.827 20 0 GFADRO Cc1cc(Br)c(F)cc1S(=O)(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000624961095 565585934 /nfs/dbraw/zinc/58/59/34/565585934.db2.gz CCYGVUMSYJUCFU-LLVKDONJSA-N 1 0 379.295 2.517 20 0 GFADRO Cc1cc(Br)c(F)cc1S(=O)(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000624961100 565586083 /nfs/dbraw/zinc/58/60/83/565586083.db2.gz CCYGVUMSYJUCFU-NSHDSACASA-N 1 0 379.295 2.517 20 0 GFADRO O=C(NC[C@H]1CCCC[NH2+]1)Nc1ccnn1Cc1ccccc1Br ZINC000667430854 565586945 /nfs/dbraw/zinc/58/69/45/565586945.db2.gz KDBFKXHGVQCOOF-CQSZACIVSA-N 1 0 392.301 2.958 20 0 GFADRO C[NH+](C)C[C@@H](CO)NC(=O)c1cccnc1Oc1ccc(Cl)cc1Cl ZINC000646208037 565590810 /nfs/dbraw/zinc/59/08/10/565590810.db2.gz RMZZMAGHWGGGBA-LBPRGKRZSA-N 1 0 384.263 2.833 20 0 GFADRO COc1c(Cl)cc(NC(=O)N2CN(CC[NH+](C)C)C(=O)[C@H]2C)cc1Cl ZINC000646253592 565593179 /nfs/dbraw/zinc/59/31/79/565593179.db2.gz ZANWGSISNPJYKA-SNVBAGLBSA-N 1 0 389.283 2.586 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)C(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000667532924 565593620 /nfs/dbraw/zinc/59/36/20/565593620.db2.gz SGTFNPSWEFTDPD-UHFFFAOYSA-N 1 0 394.313 2.688 20 0 GFADRO O=C(Nc1ccc(Cl)cc1C(F)(F)F)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000667541822 565593702 /nfs/dbraw/zinc/59/37/02/565593702.db2.gz BOZUXQUWIPIROZ-RNCFNFMXSA-N 1 0 375.778 2.508 20 0 GFADRO CC(C)c1cc(Br)ccc1NC(=O)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000667536541 565593814 /nfs/dbraw/zinc/59/38/14/565593814.db2.gz CBSPABBIOVLKLA-MLGOLLRUSA-N 1 0 394.313 2.721 20 0 GFADRO CC[C@@H](C)Sc1ccc(NC(=O)C(=O)NC[C@H](C)[NH3+])c(C(F)(F)F)c1 ZINC000667559891 565594512 /nfs/dbraw/zinc/59/45/12/565594512.db2.gz VZXGNEFGWSHCAV-VHSXEESVSA-N 1 0 377.432 2.998 20 0 GFADRO CC[C@H]1CN(C(=O)C(=O)Nc2c(C)cc(Br)cc2C)CC[C@H]1[NH3+] ZINC000667548512 565594528 /nfs/dbraw/zinc/59/45/28/565594528.db2.gz OSJQIRREQPFWLL-GXTWGEPZSA-N 1 0 382.302 2.590 20 0 GFADRO C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)Nc1ccc2nccnc2c1Br ZINC000667590685 565595885 /nfs/dbraw/zinc/59/58/85/565595885.db2.gz KZEMTORLQROEOK-BXKDBHETSA-N 1 0 394.273 2.627 20 0 GFADRO C[C@@H]1COCC[N@@H+]1C1CCN(C(=O)c2ccc(F)cc2Br)CC1 ZINC000646321465 565596269 /nfs/dbraw/zinc/59/62/69/565596269.db2.gz LBBAJYXLBMYBHJ-GFCCVEGCSA-N 1 0 385.277 2.914 20 0 GFADRO O=C1Nc2ccc(Br)cc2CC[C@@H]1N1CC[NH+](CC2CC2)CC1 ZINC000625089141 565597493 /nfs/dbraw/zinc/59/74/93/565597493.db2.gz NQRZYFHENDJPOB-KRWDZBQOSA-N 1 0 378.314 2.730 20 0 GFADRO COCC[C@H](Cc1cccc(Br)c1)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000646336770 565597498 /nfs/dbraw/zinc/59/74/98/565597498.db2.gz DNZWPQRLXCVULG-JZXOWHBKSA-N 1 0 395.341 2.855 20 0 GFADRO Cn1nc2cc(Br)ccc2c1C(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000646334646 565597580 /nfs/dbraw/zinc/59/75/80/565597580.db2.gz CSQTUUJVACMTBA-UHFFFAOYSA-N 1 0 391.313 2.942 20 0 GFADRO O=C(Nc1ccc(Br)cc1)C(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000667638261 565597796 /nfs/dbraw/zinc/59/77/96/565597796.db2.gz NLHJXCOQMHHOSC-UONOGXRCSA-N 1 0 394.313 2.626 20 0 GFADRO O=C(c1[nH]nc(C2CC2)c1Br)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000646377790 565601186 /nfs/dbraw/zinc/60/11/86/565601186.db2.gz BEQKHJRZCYUHAM-STQMWFEESA-N 1 0 381.318 2.901 20 0 GFADRO O=C1Nc2ccc(Br)cc2CC[C@H]1N1CC[C@H]([NH+]2CCCC2)C1 ZINC000625131984 565601204 /nfs/dbraw/zinc/60/12/04/565601204.db2.gz QLVINJPOLYIMBJ-DOTOQJQBSA-N 1 0 378.314 2.873 20 0 GFADRO CC(C)[NH+]1CCC(N2CCN(Cc3c(F)cncc3Br)CC2)CC1 ZINC000667688375 565601686 /nfs/dbraw/zinc/60/16/86/565601686.db2.gz PNVLOHORULUFRM-UHFFFAOYSA-N 1 0 399.352 2.974 20 0 GFADRO CN1CC[NH+](CC2CN(C(=O)c3cc(Cl)cc(C(F)(F)F)c3)C2)CC1 ZINC000646459325 565604026 /nfs/dbraw/zinc/60/40/26/565604026.db2.gz SHVIIAMDOHYECG-UHFFFAOYSA-N 1 0 375.822 2.678 20 0 GFADRO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)c1cnn(-c2ccc(Br)cc2)c1 ZINC000646474658 565604642 /nfs/dbraw/zinc/60/46/42/565604642.db2.gz YYFZGCQTJVKILK-MLGOLLRUSA-N 1 0 377.286 2.799 20 0 GFADRO Cc1c(C(=O)N2CC[C@@H]([NH+](C)C)[C@H]2C)nnn1-c1cccc(Br)c1 ZINC000646476956 565605012 /nfs/dbraw/zinc/60/50/12/565605012.db2.gz ZEITWZMPRARESV-IAQYHMDHSA-N 1 0 392.301 2.503 20 0 GFADRO C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)c1ncc(Br)cc1Br ZINC000646476571 565605262 /nfs/dbraw/zinc/60/52/62/565605262.db2.gz UKSUTQZEJNGAIY-GZMMTYOYSA-N 1 0 391.107 2.771 20 0 GFADRO O=C(CC[C@@H]1CCC[NH2+]1)N1CCN(Cc2cc(Br)ccc2F)CC1 ZINC000646557571 565608262 /nfs/dbraw/zinc/60/82/62/565608262.db2.gz FFEXJPWHNHEFSN-INIZCTEOSA-N 1 0 398.320 2.765 20 0 GFADRO CC(C)[NH+]1CCC(N2CCN(Cc3ccncc3Br)CC2)CC1 ZINC000625259535 565612999 /nfs/dbraw/zinc/61/29/99/565612999.db2.gz KRCCCGVWTCNPRX-UHFFFAOYSA-N 1 0 381.362 2.835 20 0 GFADRO C[C@@H]([NH2+]C[C@H](O)CC1(O)CCC1)c1cc2c(cc1Br)OCCO2 ZINC000625291930 565617502 /nfs/dbraw/zinc/61/75/02/565617502.db2.gz ZCVCRMXMUINWIE-VXGBXAGGSA-N 1 0 386.286 2.537 20 0 GFADRO CCN(Cc1ccc(Cl)s1)C(=O)C(=O)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000625367507 565623570 /nfs/dbraw/zinc/62/35/70/565623570.db2.gz ZISVBYSLCKYERY-CQSZACIVSA-N 1 0 383.945 2.883 20 0 GFADRO Cc1[nH]c2ccc(Br)cc2c1CC(=O)N1CC[C@@H]2C[N@@H+](C)C[C@H]21 ZINC000646915980 565625630 /nfs/dbraw/zinc/62/56/30/565625630.db2.gz YWYMZNKUROECGF-SJKOYZFVSA-N 1 0 376.298 2.944 20 0 GFADRO C[N@@H+]1C[C@H]2CCN(C(=O)CSc3nnc(-c4ccc(Cl)cc4)o3)[C@H]2C1 ZINC000646919464 565625699 /nfs/dbraw/zinc/62/56/99/565625699.db2.gz IPGPPSDXGAXNSJ-OCCSQVGLSA-N 1 0 378.885 2.645 20 0 GFADRO COc1cc(C(F)(F)F)cc(S(=O)(=O)NC[C@@H]2CCCC[N@H+](C)C2)c1 ZINC000625424838 565629643 /nfs/dbraw/zinc/62/96/43/565629643.db2.gz MCLJRAUCTZVLCC-LBPRGKRZSA-N 1 0 380.432 2.724 20 0 GFADRO COc1cc(C(F)(F)F)cc(S(=O)(=O)NC[C@H]2CCCC[N@H+](C)C2)c1 ZINC000625424837 565630339 /nfs/dbraw/zinc/63/03/39/565630339.db2.gz MCLJRAUCTZVLCC-GFCCVEGCSA-N 1 0 380.432 2.724 20 0 GFADRO O=C(N[C@H]1CC12CC[NH2+]CC2)[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000647055792 565634510 /nfs/dbraw/zinc/63/45/10/565634510.db2.gz HBGNKMJYCBXBPF-WFASDCNBSA-N 1 0 382.291 2.605 20 0 GFADRO C[C@@H](NC(=O)c1ccc(NC(=O)c2ccc(Br)o2)cc1)[C@H](C)[NH3+] ZINC000647068055 565635502 /nfs/dbraw/zinc/63/55/02/565635502.db2.gz OBYSDKTTWAYIOH-VHSXEESVSA-N 1 0 380.242 2.760 20 0 GFADRO O=C1Nc2ccc(Br)cc2CC[C@H]1[N@H+]1C[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC000625530633 565636631 /nfs/dbraw/zinc/63/66/31/565636631.db2.gz QTNNAZQEBXEZAA-IARIHHJXSA-N 1 0 379.298 2.795 20 0 GFADRO O[C@H]1CC[N@@H+](C2CCN(Cc3ccc(Br)c(F)c3F)CC2)C1 ZINC000625562119 565639293 /nfs/dbraw/zinc/63/92/93/565639293.db2.gz XSTOPRPTZQUDCC-ZDUSSCGKSA-N 1 0 375.257 2.758 20 0 GFADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)Cc2cccc(C)c2Br)CC1 ZINC000625562594 565639443 /nfs/dbraw/zinc/63/94/43/565639443.db2.gz PFPXUKHENZIUCY-HNNXBMFYSA-N 1 0 396.373 2.690 20 0 GFADRO CO[C@@H](c1ccc(Cl)cc1)[C@@H](C)[NH2+]Cc1ccc(S(N)(=O)=O)cc1F ZINC000647184726 565644999 /nfs/dbraw/zinc/64/49/99/565644999.db2.gz ZSBQOFMOHJTCHD-PIGZYNQJSA-N 1 0 386.876 2.992 20 0 GFADRO COc1cc(Br)c(C[N@@H+]2CC[C@H](Cn3ccnn3)C2)c(OC)c1 ZINC000668453544 565647712 /nfs/dbraw/zinc/64/77/12/565647712.db2.gz WPNVBHVFSKHUIO-LBPRGKRZSA-N 1 0 381.274 2.580 20 0 GFADRO COc1cc(OC)c(S(=O)(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cc1Cl ZINC000647238305 565648469 /nfs/dbraw/zinc/64/84/69/565648469.db2.gz JQELNTYZMMEJCT-TZMCWYRMSA-N 1 0 388.917 2.510 20 0 GFADRO COc1cc(Cl)c(S(=O)(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cc1OC ZINC000647237967 565648594 /nfs/dbraw/zinc/64/85/94/565648594.db2.gz BDNNEBRXWUJICY-OCCSQVGLSA-N 1 0 388.917 2.510 20 0 GFADRO [NH3+][C@@H]1CCC[C@H](NS(=O)(=O)Cc2ccc(Cl)cc2Br)C1 ZINC000647259740 565649731 /nfs/dbraw/zinc/64/97/31/565649731.db2.gz TUTVRJQCZWBTBG-NEPJUHHUSA-N 1 0 381.723 2.792 20 0 GFADRO O=S(=O)(c1ccc2ccccc2c1Br)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000647264868 565650920 /nfs/dbraw/zinc/65/09/20/565650920.db2.gz XBHNTZUVAKQXJB-ZFWWWQNUSA-N 1 0 395.322 2.975 20 0 GFADRO CC[C@@H]1CN(S(=O)(=O)c2cc(C)c(Br)cc2F)CC[C@H]1[NH3+] ZINC000647270365 565651498 /nfs/dbraw/zinc/65/14/98/565651498.db2.gz XTZKZUKUCYMCMS-ZWNOBZJWSA-N 1 0 379.295 2.645 20 0 GFADRO CC(C)(C)OC(=O)c1ccc(C[NH2+][C@@H]2CCC[C@H]2CNS(C)(=O)=O)s1 ZINC000598978588 565651606 /nfs/dbraw/zinc/65/16/06/565651606.db2.gz ICVJMQCRFGLQDA-GXTWGEPZSA-N 1 0 388.555 2.511 20 0 GFADRO Cc1ncsc1CCS(=O)(=O)N[C@@H](C[NH3+])c1ccc2ccccc2c1 ZINC000647269836 565651722 /nfs/dbraw/zinc/65/17/22/565651722.db2.gz AVMUREZTBATXFI-KRWDZBQOSA-N 1 0 375.519 2.767 20 0 GFADRO C[NH2+]C[C@@H]1C[C@H](F)CN1S(=O)(=O)Cc1ccc(Cl)cc1Br ZINC000647292755 565655770 /nfs/dbraw/zinc/65/57/70/565655770.db2.gz DDHDRZXXIRDZSR-RYUDHWBXSA-N 1 0 399.713 2.564 20 0 GFADRO COC(=O)CCNC(=O)CC[NH2+][C@H]1CC(C)(C)c2ccc(Br)cc21 ZINC000599088463 565656279 /nfs/dbraw/zinc/65/62/79/565656279.db2.gz LFGUZVKLDCGTCJ-HNNXBMFYSA-N 1 0 397.313 2.831 20 0 GFADRO Cc1cc(Br)cc(C)c1S(=O)(=O)NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000647316811 565657058 /nfs/dbraw/zinc/65/70/58/565657058.db2.gz VRWULBIMUBIWFX-OCCSQVGLSA-N 1 0 375.332 2.862 20 0 GFADRO CC[C@H]([NH2+][C@H](C)c1ccc(S(C)(=O)=O)cc1)C(=O)NCc1cccs1 ZINC000647333068 565657785 /nfs/dbraw/zinc/65/77/85/565657785.db2.gz KXHIJCXIDBIKRU-DYVFJYSZSA-N 1 0 380.535 2.897 20 0 GFADRO OC[C@]1([NH2+]CCO[C@H]2CCCCO2)CCc2cc(Br)ccc2C1 ZINC000625796692 565660459 /nfs/dbraw/zinc/66/04/59/565660459.db2.gz LDSIWDKEWGLGJT-ROUUACIJSA-N 1 0 384.314 2.802 20 0 GFADRO OC[C@@]1([NH2+]C[C@@H](O)CC(F)(F)F)CCc2cc(Br)ccc2C1 ZINC000625795888 565660670 /nfs/dbraw/zinc/66/06/70/565660670.db2.gz AQJDSUBDJXHOKF-UONOGXRCSA-N 1 0 382.220 2.572 20 0 GFADRO C[NH+](C)CC1CCN(C(=O)[C@@H]2CCO[C@H]2c2cncc(Br)c2)CC1 ZINC000668678725 565660771 /nfs/dbraw/zinc/66/07/71/565660771.db2.gz PPUWVZJOXUNIKR-SJORKVTESA-N 1 0 396.329 2.722 20 0 GFADRO OC[C@]1([NH2+]C[C@H](O)Cc2ccccc2)CCc2cc(Br)ccc2C1 ZINC000625797366 565660763 /nfs/dbraw/zinc/66/07/63/565660763.db2.gz UWMAGVLUJDFIFZ-UXHICEINSA-N 1 0 390.321 2.862 20 0 GFADRO COc1cc(CN2CCO[C@H]([C@@H](C)[NH3+])C2)cc(Br)c1OC(F)F ZINC000647508123 565661451 /nfs/dbraw/zinc/66/14/51/565661451.db2.gz IBIRZAYLKQYBOD-RNCFNFMXSA-N 1 0 395.244 2.607 20 0 GFADRO C[C@@H](NC(=O)[C@@H]1CCO[C@H]1c1cncc(Br)c1)C1CC[NH+](C)CC1 ZINC000668700285 565661982 /nfs/dbraw/zinc/66/19/82/565661982.db2.gz JVSSLUOCGHLOAM-JLZZUVOBSA-N 1 0 396.329 2.768 20 0 GFADRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)NCc2ccc(Cl)c(Cl)c2)C1 ZINC000668689798 565662569 /nfs/dbraw/zinc/66/25/69/565662569.db2.gz GGXWGLMIVHWQEU-CQSZACIVSA-N 1 0 386.323 2.846 20 0 GFADRO OCc1ccc(CC[NH2+]C[C@@H](O)COc2ccc(Br)cc2)cc1 ZINC000647524361 565662808 /nfs/dbraw/zinc/66/28/08/565662808.db2.gz DXOVFYPMNJXPBY-QGZVFWFLSA-N 1 0 380.282 2.513 20 0 GFADRO C[C@@H]1CC[C@@H](NC(=O)Nc2cc(Br)ccc2-n2cccn2)C[NH2+]1 ZINC000625860203 565663242 /nfs/dbraw/zinc/66/32/42/565663242.db2.gz SBBILCPMBXCFAN-DGCLKSJQSA-N 1 0 378.274 2.897 20 0 GFADRO CCOc1cc(CN2C[C@@H](F)C[C@H]2C[NH2+]C)cc(Br)c1OC ZINC000647539980 565664210 /nfs/dbraw/zinc/66/42/10/565664210.db2.gz PTAUBOSADNESLU-STQMWFEESA-N 1 0 375.282 2.988 20 0 GFADRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)Nc1ccnn1Cc1ccccc1Br ZINC000625880668 565664763 /nfs/dbraw/zinc/66/47/63/565664763.db2.gz IEXOLLURVZINIK-LSDHHAIUSA-N 1 0 392.301 2.956 20 0 GFADRO CN(CCOCC[NH3+])C(=O)Nc1ccnn1Cc1cccc(Cl)c1Cl ZINC000625880677 565664915 /nfs/dbraw/zinc/66/49/15/565664915.db2.gz IQKHHUHUBLQCTF-UHFFFAOYSA-N 1 0 386.283 2.677 20 0 GFADRO C[NH+](C)[C@@]1(CNC(=O)c2ccc(Br)c(F)c2F)CCSC1 ZINC000625985191 565668598 /nfs/dbraw/zinc/66/85/98/565668598.db2.gz FRZVHGIWZZGSQE-CQSZACIVSA-N 1 0 379.270 2.894 20 0 GFADRO C[NH+](C)C[C@@H](NCc1coc(S(N)(=O)=O)c1)c1ccc(Cl)c(Cl)c1 ZINC000625982710 565668613 /nfs/dbraw/zinc/66/86/13/565668613.db2.gz NMCJLKTXCKSIFJ-CQSZACIVSA-N 1 0 392.308 2.626 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C(=O)NC1CC([NH+](C)C)C1 ZINC000647674882 565670423 /nfs/dbraw/zinc/67/04/23/565670423.db2.gz FULLQMYYFZXZCL-UHFFFAOYSA-N 1 0 377.286 2.766 20 0 GFADRO C[C@H]1C[NH+](CCCCNC(=O)c2cc(O)cc(Br)c2)C[C@H](C)O1 ZINC000626023255 565671018 /nfs/dbraw/zinc/67/10/18/565671018.db2.gz BUTDRSJULPTNKC-STQMWFEESA-N 1 0 385.302 2.774 20 0 GFADRO C[C@@H]1C[C@H](N(C)C(=O)c2cc(Br)cc3c2OCCO3)CC[N@@H+]1C ZINC000669125233 565677901 /nfs/dbraw/zinc/67/79/01/565677901.db2.gz CZNAKQGYYRMLEB-DGCLKSJQSA-N 1 0 383.286 2.775 20 0 GFADRO C[C@H]1C[C@@H](N(C)C(=O)[C@@H]2CCO[C@H]2c2cncc(Br)c2)CC[N@@H+]1C ZINC000669129086 565678714 /nfs/dbraw/zinc/67/87/14/565678714.db2.gz SPXNRWGYKLVXBR-SJWGOKEGSA-N 1 0 396.329 2.863 20 0 GFADRO C[C@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)N1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000647861627 565681493 /nfs/dbraw/zinc/68/14/93/565681493.db2.gz DHKXWUZQKSRWJV-IMSIIYSGSA-N 1 0 379.810 2.734 20 0 GFADRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)c1cc(Br)cc2[nH]c(=O)[nH]c21 ZINC000669249822 565682574 /nfs/dbraw/zinc/68/25/74/565682574.db2.gz WKXNPYLJNKOXAB-LBPRGKRZSA-N 1 0 395.301 2.977 20 0 GFADRO COc1ccc(Br)cc1CN(C)C(=O)C1([NH3+])Cc2ccccc2C1 ZINC000647906102 565683158 /nfs/dbraw/zinc/68/31/58/565683158.db2.gz PVCZYSOQBAUTDT-UHFFFAOYSA-N 1 0 389.293 2.912 20 0 GFADRO NC(=O)[C@H](c1ccc(Br)cc1)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647978657 565686085 /nfs/dbraw/zinc/68/60/85/565686085.db2.gz WIACTSNFXGXZLR-UXLLHSPISA-N 1 0 380.330 2.687 20 0 GFADRO CCSc1ccc(CC(=O)NC[C@](C)(O)C[NH+](C)C)c(Br)c1 ZINC000626248359 565686140 /nfs/dbraw/zinc/68/61/40/565686140.db2.gz JFMJEFOLERSCPW-INIZCTEOSA-N 1 0 389.359 2.532 20 0 GFADRO O=C(Nc1ccc(=O)n(Cc2ccc(Cl)c(Cl)c2)c1)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000648028083 565688108 /nfs/dbraw/zinc/68/81/08/565688108.db2.gz QQLVHXCUMLBNMO-LAQFHYBYSA-N 1 0 378.259 2.607 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000669445290 565688992 /nfs/dbraw/zinc/68/89/92/565688992.db2.gz XQBDHPHSYKOQLQ-AWEZNQCLSA-N 1 0 397.317 2.527 20 0 GFADRO O=C([C@H]1C[NH2+]CCC1(F)F)N1CCO[C@H](c2cccc(Br)c2)C1 ZINC000648031217 565688916 /nfs/dbraw/zinc/68/89/16/565688916.db2.gz HMWHTNWSWMAWKL-KGLIPLIRSA-N 1 0 389.240 2.594 20 0 GFADRO [NH3+]C[C@H]1CCCN(C(=O)NCc2cc(Br)ccc2OC(F)F)C1 ZINC000669437215 565689121 /nfs/dbraw/zinc/68/91/21/565689121.db2.gz OGOMGEPGAOFMNC-SNVBAGLBSA-N 1 0 392.244 2.931 20 0 GFADRO COc1ccc(NC(=O)c2nnn(C3CC[NH2+]CC3)c2C)c(Br)c1 ZINC000648053768 565690194 /nfs/dbraw/zinc/69/01/94/565690194.db2.gz VXHLEKMYNGROBS-UHFFFAOYSA-N 1 0 394.273 2.534 20 0 GFADRO O=C(c1cc([C@@H]2CC[NH2+]C2)n[nH]1)N1CCc2c(F)cc(Br)cc2C1 ZINC000648101953 565691325 /nfs/dbraw/zinc/69/13/25/565691325.db2.gz LGDNGJZUMZSNQX-SNVBAGLBSA-N 1 0 393.260 2.587 20 0 GFADRO CC[C@@H]1CN(C(=O)NCc2cn3cc(Br)cc(C)c3n2)CC[C@H]1[NH3+] ZINC000669559431 565692333 /nfs/dbraw/zinc/69/23/33/565692333.db2.gz ZZUGYOFJVGSFAS-IUODEOHRSA-N 1 0 394.317 2.674 20 0 GFADRO C[C@H](Cc1ccc(F)c(Br)c1)NC(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000669535337 565692439 /nfs/dbraw/zinc/69/24/39/565692439.db2.gz COXFQADIDBVFOD-KFNAQCHYSA-N 1 0 384.293 2.913 20 0 GFADRO COc1ccc(Br)cc1C1(NC(=O)[C@H]2C[NH2+]CCC2(F)F)CC1 ZINC000648191592 565693122 /nfs/dbraw/zinc/69/31/22/565693122.db2.gz RTPGHYCOAAQWKG-GFCCVEGCSA-N 1 0 389.240 2.808 20 0 GFADRO COc1cc(Br)ccc1[C@H](C)NC(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000669567884 565693406 /nfs/dbraw/zinc/69/34/06/565693406.db2.gz WKUVYTUKOACANH-ZOWXZIJZSA-N 1 0 382.302 2.912 20 0 GFADRO CCOC(=O)c1ccsc1NC(=O)N1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000599608383 565693877 /nfs/dbraw/zinc/69/38/77/565693877.db2.gz PLRUBLQNFAOANI-ONGXEEELSA-N 1 0 379.404 2.916 20 0 GFADRO C[C@H]1CC[C@@H](NC(=O)Nc2cccc(F)c2I)C[NH2+]1 ZINC000599611593 565693963 /nfs/dbraw/zinc/69/39/63/565693963.db2.gz KUZSPBCJCLXZQI-DTWKUNHWSA-N 1 0 377.201 2.692 20 0 GFADRO COC(=O)c1cc(NC(=O)N2CC[NH2+]C[C@H]2C(C)C)ccc1Br ZINC000599612965 565694044 /nfs/dbraw/zinc/69/40/44/565694044.db2.gz NWNCDHHQWDMPRP-AWEZNQCLSA-N 1 0 384.274 2.697 20 0 GFADRO CC(C)CNC(=O)NC(=O)C[NH2+][C@@H](CN(C)C)c1ccc(Cl)c(Cl)c1 ZINC000599625958 565694173 /nfs/dbraw/zinc/69/41/73/565694173.db2.gz BSDCMORCMKEGNX-HNNXBMFYSA-N 1 0 389.327 2.668 20 0 GFADRO C[N@H+](Cc1ccc(I)cc1Cl)[C@H]1C[C@@H](C(N)=O)C1 ZINC000599649548 565694579 /nfs/dbraw/zinc/69/45/79/565694579.db2.gz BJMHUEIEYSEPAY-JGZJWPJOSA-N 1 0 378.641 2.640 20 0 GFADRO C[C@H]([NH3+])[C@H]1CN(C(=O)N[C@H]2c3cccc(Br)c3CC2(C)C)CCO1 ZINC000669590347 565694333 /nfs/dbraw/zinc/69/43/33/565694333.db2.gz MXSKEDKFVQWPSA-XZJROXQQSA-N 1 0 396.329 2.830 20 0 GFADRO CC1(C)Cc2c(cccc2Br)[C@H]1NC(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000669590387 565694622 /nfs/dbraw/zinc/69/46/22/565694622.db2.gz RQZHAKTZMQJFHW-BLLLJJGKSA-N 1 0 396.329 2.832 20 0 GFADRO C[C@H](CC(=O)NCC[N@@H+]1CCc2ccccc2C1)n1cc(Br)cn1 ZINC000648233268 565695756 /nfs/dbraw/zinc/69/57/56/565695756.db2.gz IYFYTZFUTSNFRW-CQSZACIVSA-N 1 0 391.313 2.771 20 0 GFADRO CC[N@@H+]1CCN(c2nnc(-c3cc(OC)ccc3Br)n2C)C[C@@H]1C ZINC000669792904 565702269 /nfs/dbraw/zinc/70/22/69/565702269.db2.gz RCYZJUNMNNGPSE-LBPRGKRZSA-N 1 0 394.317 2.784 20 0 GFADRO O=C(CSCc1ccc(Cl)cc1Cl)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000599937312 565706608 /nfs/dbraw/zinc/70/66/08/565706608.db2.gz HIFCFNDHBCGAHZ-GJZGRUSLSA-N 1 0 389.348 2.894 20 0 GFADRO C[NH+](C)CCNC(=O)Nc1cc(F)c(Cl)cc1I ZINC000599929130 565706708 /nfs/dbraw/zinc/70/67/08/565706708.db2.gz XBRUVSUHGDQMPL-UHFFFAOYSA-N 1 0 385.608 2.767 20 0 GFADRO C[C@@H]([NH2+]CC(=O)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1)c1ccsc1 ZINC000669938049 565708154 /nfs/dbraw/zinc/70/81/54/565708154.db2.gz BUYGKRDYJMUGAX-HIFRSBDPSA-N 1 0 398.575 2.676 20 0 GFADRO COc1cc(C(=O)N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)ccc1Br ZINC000626686360 565708211 /nfs/dbraw/zinc/70/82/11/565708211.db2.gz HWGKAQYSAGONJX-ZDUSSCGKSA-N 1 0 397.313 2.783 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)CC[C@H]1C(F)(F)F ZINC000626861101 565712819 /nfs/dbraw/zinc/71/28/19/565712819.db2.gz LXORINNKGZXNDR-PRHODGIISA-N 1 0 398.212 2.918 20 0 GFADRO Cc1ccc(NC(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)c(Cl)c1 ZINC000626861166 565713573 /nfs/dbraw/zinc/71/35/73/565713573.db2.gz LLIKZBVKLRFHSV-MNOVXSKESA-N 1 0 377.794 2.573 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)C(=O)Nc2cc(Cl)ccc2Cl)CC[C@@H]1C(F)(F)F ZINC000626861303 565714500 /nfs/dbraw/zinc/71/45/00/565714500.db2.gz NISBTWYQWDXMMD-WPRPVWTQSA-N 1 0 398.212 2.918 20 0 GFADRO C[C@@H]1C[C@H]([NH2+]Cc2cc(F)cc(Br)c2)C(=O)N1c1cnn(C)c1 ZINC000648464226 565714995 /nfs/dbraw/zinc/71/49/95/565714995.db2.gz OLPKKECYFMSJAA-BMIGLBTASA-N 1 0 381.249 2.605 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCOc2ccc(Br)cc2C1 ZINC000670129800 565716033 /nfs/dbraw/zinc/71/60/33/565716033.db2.gz WXBYWRGROAEUCV-OAHLLOKOSA-N 1 0 382.302 2.837 20 0 GFADRO C[NH2+]CCOCCNC(=O)N[C@H](c1ccc(Br)cc1)C1CCC1 ZINC000626945133 565716087 /nfs/dbraw/zinc/71/60/87/565716087.db2.gz PYOKOZYSJLBDEB-INIZCTEOSA-N 1 0 384.318 2.826 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)NCc2nc(C(F)(F)F)cs2)CC[C@@H]1C(F)(F)F ZINC000626984083 565718038 /nfs/dbraw/zinc/71/80/38/565718038.db2.gz FNTOYHDJFVXWKU-SFYZADRCSA-N 1 0 390.353 2.831 20 0 GFADRO C[NH2+]CCOCCN(C)C(=O)NCC/C=C/c1ccc(Br)cc1 ZINC000627122102 565722790 /nfs/dbraw/zinc/72/27/90/565722790.db2.gz DALSGJYWUKLGKE-HWKANZROSA-N 1 0 384.318 2.730 20 0 GFADRO C[C@H]([NH3+])[C@H]1CN(C(=O)NCC/C=C/c2ccc(Br)cc2)CCO1 ZINC000627123230 565722847 /nfs/dbraw/zinc/72/28/47/565722847.db2.gz PNBZPFZELUGAHC-VQDFZMTLSA-N 1 0 382.302 2.610 20 0 GFADRO [NH3+]C1(CNC(=O)N2CC[C@H](Cc3ccc(Br)cc3)C2)CCOCC1 ZINC000627148596 565723268 /nfs/dbraw/zinc/72/32/68/565723268.db2.gz FMLYRTJJCUAUTA-OAHLLOKOSA-N 1 0 396.329 2.531 20 0 GFADRO C[NH+](C)C1CC(NC(=O)[C@H](c2ccc(Br)cc2)N2CCCC2)C1 ZINC000670446463 565723413 /nfs/dbraw/zinc/72/34/13/565723413.db2.gz YFVGUGGXSSYORX-JCYILVPMSA-N 1 0 380.330 2.795 20 0 GFADRO O=C(COc1cc(Cl)c(Cl)cc1Cl)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000670447091 565723858 /nfs/dbraw/zinc/72/38/58/565723858.db2.gz IHXIVGXIXQRXPR-LLVKDONJSA-N 1 0 392.714 2.532 20 0 GFADRO CC[C@@H]1Cc2c(Br)cccc2CN1C(=O)NCC1([NH3+])CCOCC1 ZINC000627149655 565723963 /nfs/dbraw/zinc/72/39/63/565723963.db2.gz LFJWWTBSCVOQFN-CQSZACIVSA-N 1 0 396.329 2.803 20 0 GFADRO CC1CC[NH+](CCNC(=O)c2c3ccc(Br)cc3nn2C)CC1 ZINC000648734450 565724553 /nfs/dbraw/zinc/72/45/53/565724553.db2.gz LNKPLUDCZWRLFG-UHFFFAOYSA-N 1 0 379.302 2.798 20 0 GFADRO C[NH2+]CCOCCNC(=O)N1C[C@H](c2ccc(Br)cc2)C[C@@H]1C ZINC000627169166 565724881 /nfs/dbraw/zinc/72/48/81/565724881.db2.gz FJSDYPLRBDIUSG-DZGCQCFKSA-N 1 0 384.318 2.573 20 0 GFADRO CCCN(CCC[NH+](C)C)C(=O)C(=O)NCCc1ccc(Cl)cc1Cl ZINC000670497027 565725782 /nfs/dbraw/zinc/72/57/82/565725782.db2.gz SNCCCSBKLRUHNP-UHFFFAOYSA-N 1 0 388.339 2.842 20 0 GFADRO C[NH+]1CCC(CCNC(=O)C(=O)NCCc2ccc(Cl)cc2Cl)CC1 ZINC000670496682 565726349 /nfs/dbraw/zinc/72/63/49/565726349.db2.gz XAFKGPYLPOBJMY-UHFFFAOYSA-N 1 0 386.323 2.500 20 0 GFADRO C[C@H](NC(=O)C(=O)NCCc1ccc(Cl)cc1Cl)C(C)(C)C[NH+](C)C ZINC000670496358 565726439 /nfs/dbraw/zinc/72/64/39/565726439.db2.gz NCJSYJVVHCEVOS-LBPRGKRZSA-N 1 0 388.339 2.745 20 0 GFADRO CC(C)CN(Cc1ccccc1Br)C(=O)NCCOCCC[NH3+] ZINC000627215011 565727289 /nfs/dbraw/zinc/72/72/89/565727289.db2.gz FAGJTMADJKYOAU-UHFFFAOYSA-N 1 0 386.334 2.982 20 0 GFADRO CN(C(=O)c1c2ccc(Br)cc2nn1C)[C@@H]1C[NH+]2CCC1CC2 ZINC000648779286 565728418 /nfs/dbraw/zinc/72/84/18/565728418.db2.gz IIIZTWYJFMFQKX-OAHLLOKOSA-N 1 0 377.286 2.502 20 0 GFADRO Cn1nc2cc(Br)ccc2c1C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000648776449 565728549 /nfs/dbraw/zinc/72/85/49/565728549.db2.gz AOGIRKPIRHSYBG-CYBMUJFWSA-N 1 0 377.286 2.550 20 0 GFADRO Cn1nccc1[C@H]1C[C@H]([NH2+]Cc2cc3c(c(Br)c2)OCO3)CCO1 ZINC000648783452 565728607 /nfs/dbraw/zinc/72/86/07/565728607.db2.gz XOWSIKGCMMSVDW-IUODEOHRSA-N 1 0 394.269 2.921 20 0 GFADRO O=C(c1ccc(Br)c(Cl)c1F)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000627264162 565729796 /nfs/dbraw/zinc/72/97/96/565729796.db2.gz PAVFTTRKVBOJQU-ZJUUUORDSA-N 1 0 391.668 2.523 20 0 GFADRO COC1CC[NH+](CCNC(=O)[C@@H]2CCc3cc(Br)ccc32)CC1 ZINC000648814840 565731952 /nfs/dbraw/zinc/73/19/52/565731952.db2.gz WLZWCSFWGOTTHQ-QGZVFWFLSA-N 1 0 381.314 2.706 20 0 GFADRO Cn1ncc(Br)c1C(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000648887821 565737265 /nfs/dbraw/zinc/73/72/65/565737265.db2.gz QRBXEOKTXZXJDK-UHFFFAOYSA-N 1 0 383.334 2.911 20 0 GFADRO CCC[N@@H+]1CCC[C@H]1CNC(=O)c1c2ccc(Br)cc2nn1C ZINC000648902898 565738644 /nfs/dbraw/zinc/73/86/44/565738644.db2.gz UBIQYHBUTCYXRB-ZDUSSCGKSA-N 1 0 379.302 2.940 20 0 GFADRO C[C@H](CNS(=O)(=O)Cc1ccc(OC(F)(F)F)cc1)C[NH+]1CCCC1 ZINC000600749143 565747731 /nfs/dbraw/zinc/74/77/31/565747731.db2.gz YUNXGZBPWXOOEQ-CYBMUJFWSA-N 1 0 380.432 2.737 20 0 GFADRO CSc1ncc(Cl)c(C(=O)NC[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)n1 ZINC000649100617 565748559 /nfs/dbraw/zinc/74/85/59/565748559.db2.gz ROLJNFBJJMAQNW-KGLIPLIRSA-N 1 0 376.913 2.927 20 0 GFADRO C[NH2+]C1(CNC(=O)c2ccc(I)cc2Cl)CCC1 ZINC000600825888 565752090 /nfs/dbraw/zinc/75/20/90/565752090.db2.gz VJDOGVZVNPQYJQ-UHFFFAOYSA-N 1 0 378.641 2.817 20 0 GFADRO COc1ccc(Br)c(C(=O)NCCC[NH2+][C@H](C)C(C)(C)OC)c1 ZINC000671121930 565752783 /nfs/dbraw/zinc/75/27/83/565752783.db2.gz INMQEROHRVXHHW-GFCCVEGCSA-N 1 0 387.318 2.981 20 0 GFADRO Cc1ccc(NC(=O)C(=O)NC[C@@H]2CCCC[N@@H+](C)C2)c(Br)c1 ZINC000627828618 565754590 /nfs/dbraw/zinc/75/45/90/565754590.db2.gz GGIGAJATRQMSBS-ZDUSSCGKSA-N 1 0 382.302 2.544 20 0 GFADRO C[N@@H+]1CCCC[C@@H](CNC(=O)C(=O)Nc2nc(-c3cccs3)cs2)C1 ZINC000627827934 565754985 /nfs/dbraw/zinc/75/49/85/565754985.db2.gz MWTISBJBVSZPHT-LBPRGKRZSA-N 1 0 378.523 2.658 20 0 GFADRO C[N@@H+]1CCCC[C@H](CNC(=O)C(=O)Nc2cc(Cl)c(Cl)cc2F)C1 ZINC000627826191 565755053 /nfs/dbraw/zinc/75/50/53/565755053.db2.gz QTFINYINRAUDGP-SNVBAGLBSA-N 1 0 376.259 2.919 20 0 GFADRO CCc1nc(CN2CCN(C(=O)[C@H]([NH3+])c3cccc(Cl)c3)CC2)cs1 ZINC000649308163 565758800 /nfs/dbraw/zinc/75/88/00/565758800.db2.gz PCSBJBWBTCIRIH-QGZVFWFLSA-N 1 0 378.929 2.703 20 0 GFADRO OCC[C@H]1CCCCC[N@@H+]1C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000671247628 565759626 /nfs/dbraw/zinc/75/96/26/565759626.db2.gz DVIDWDDPTSMXNO-HZPDHXFCSA-N 1 0 390.293 2.955 20 0 GFADRO COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+]CCNS(=O)(=O)c2cccs2)cc1 ZINC000671298328 565760353 /nfs/dbraw/zinc/76/03/53/565760353.db2.gz XIAZARBJHVVAOU-IAOVAPTHSA-N 1 0 380.535 2.817 20 0 GFADRO Brc1cccc(-c2cnc(CN3CC[C@H](N4CC[NH2+]CC4)C3)o2)c1 ZINC000649419089 565760708 /nfs/dbraw/zinc/76/07/08/565760708.db2.gz DNPIRPVQNBZYPF-INIZCTEOSA-N 1 0 391.313 2.584 20 0 GFADRO O=C1NC(=O)C2(CC[NH+](Cc3cnc(-c4ccc(Cl)cc4)s3)CC2)N1 ZINC000671307311 565761145 /nfs/dbraw/zinc/76/11/45/565761145.db2.gz OKEQUNGFNXQMTJ-UHFFFAOYSA-N 1 0 376.869 2.638 20 0 GFADRO O=C1N[C@@]2(CCSC2)C(=O)N1c1ccc(SCC[NH+]2CCCC2)cc1 ZINC000649519409 565764304 /nfs/dbraw/zinc/76/43/04/565764304.db2.gz BZAJKOBQIUZNHQ-GOSISDBHSA-N 1 0 377.535 2.806 20 0 GFADRO C[C@@H]([NH2+]Cc1cc(Cl)cc(S(N)(=O)=O)c1)[C@@H]1OCCc2sccc21 ZINC000649617418 565769212 /nfs/dbraw/zinc/76/92/12/565769212.db2.gz HSCRRRRLLQUIOA-HWPZZCPQSA-N 1 0 386.926 2.841 20 0 GFADRO O[C@@H](C[NH2+]C1(c2ccccc2Br)CCC1)COC1CCOCC1 ZINC000649646459 565771414 /nfs/dbraw/zinc/77/14/14/565771414.db2.gz FCMSPISCJIEOIT-AWEZNQCLSA-N 1 0 384.314 2.974 20 0 GFADRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2nscc2Br)[C@H](C)C1 ZINC000649738944 565775630 /nfs/dbraw/zinc/77/56/30/565775630.db2.gz ZXXKUQCABJDHAG-DGCLKSJQSA-N 1 0 390.347 2.772 20 0 GFADRO C[C@@H](CCO)[N@H+](C)Cc1cc(Cl)cc(Cl)c1OCCN1CCOCC1 ZINC000628326164 565783264 /nfs/dbraw/zinc/78/32/64/565783264.db2.gz SYCLPOUTTLPBKR-AWEZNQCLSA-N 1 0 391.339 2.907 20 0 GFADRO C[C@H](CCO)[N@H+](C)Cc1cc(Cl)cc(Cl)c1OCCN1CCOCC1 ZINC000628326165 565783842 /nfs/dbraw/zinc/78/38/42/565783842.db2.gz SYCLPOUTTLPBKR-CQSZACIVSA-N 1 0 391.339 2.907 20 0 GFADRO CCOc1c(Br)cc(C[N@H+](C)[C@H]2CCC(=O)N(C)C2)cc1OC ZINC000628368005 565785940 /nfs/dbraw/zinc/78/59/40/565785940.db2.gz FTJAQZHKXAZYTF-ZDUSSCGKSA-N 1 0 385.302 2.909 20 0 GFADRO COc1cc(Br)c(C[NH2+]C[C@@H]2CCCN2CC(F)F)cc1O ZINC000628422051 565788669 /nfs/dbraw/zinc/78/86/69/565788669.db2.gz KLORXTZXDABPOQ-NSHDSACASA-N 1 0 379.245 2.982 20 0 GFADRO CNS(=O)(=O)C[C@@H]1CCC[N@H+](Cc2cc(C)c(C)cc2OC(F)F)C1 ZINC000628495836 565791862 /nfs/dbraw/zinc/79/18/62/565791862.db2.gz BFAYJAJMZQPHAI-CQSZACIVSA-N 1 0 376.469 2.666 20 0 GFADRO CC(C)(CO)[NH+]1CCN(c2ccc(-c3ccc(Br)s3)nn2)CC1 ZINC000672217020 565798950 /nfs/dbraw/zinc/79/89/50/565798950.db2.gz JLNLIYIJIMRBOE-UHFFFAOYSA-N 1 0 397.342 2.861 20 0 GFADRO CSc1cc(C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)c(Cl)cc1Cl ZINC000650306350 565812947 /nfs/dbraw/zinc/81/29/47/565812947.db2.gz HTSUXTRRELWDOL-UHFFFAOYSA-N 1 0 390.336 2.561 20 0 GFADRO C[NH+](C)C[C@@H](NC(=O)COC1CCOCC1)c1ccc(Cl)c(Cl)c1 ZINC000628968438 565816932 /nfs/dbraw/zinc/81/69/32/565816932.db2.gz INRSJANPMCASBZ-MRXNPFEDSA-N 1 0 375.296 2.908 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)c2ccc3[nH]cc(I)c3c2)CC[N@@H+]1C ZINC000602107522 565822976 /nfs/dbraw/zinc/82/29/76/565822976.db2.gz GNECHJYPNFIISL-ZYHUDNBSSA-N 1 0 397.260 2.985 20 0 GFADRO CCOC(=O)[C@@H](Cc1cc(Cl)cc(Cl)c1)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC000602118234 565823730 /nfs/dbraw/zinc/82/37/30/565823730.db2.gz IMGUODRBBJVOEG-MLGOLLRUSA-N 1 0 387.307 2.926 20 0 GFADRO O=C(Cc1cccc(I)c1)N[C@H]1C[C@@H]([NH+]2CCCC2)C1 ZINC000602166498 565827970 /nfs/dbraw/zinc/82/79/70/565827970.db2.gz IIXUTHJIUDSYPR-GASCZTMLSA-N 1 0 384.261 2.577 20 0 GFADRO CCOc1cc(CN2C[C@@H](C[NH3+])[C@H](OCC)C2)cc(Br)c1OC ZINC000650715005 565832805 /nfs/dbraw/zinc/83/28/05/565832805.db2.gz LBVCJXKJULOFNC-CZUORRHYSA-N 1 0 387.318 2.652 20 0 GFADRO CC[C@H](Cc1ccccc1Br)C(=O)N[C@H](CO)C[NH+]1CCCC1 ZINC000673530446 565839076 /nfs/dbraw/zinc/83/90/76/565839076.db2.gz HYUSXQFCCURPDR-ZBFHGGJFSA-N 1 0 383.330 2.591 20 0 GFADRO Cc1ccc(C(=O)N(C)[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)cc1Br ZINC000673798999 565846346 /nfs/dbraw/zinc/84/63/46/565846346.db2.gz ZZJWJPXOTGQRGN-QGZVFWFLSA-N 1 0 394.357 2.998 20 0 GFADRO C[S@@](=O)C1(C(=O)N(CCc2ccc(Cl)cc2)CC2CC2)CC[NH2+]CC1 ZINC000602459177 565849667 /nfs/dbraw/zinc/84/96/67/565849667.db2.gz QKDDYEAFZAGTHA-RUZDIDTESA-N 1 0 382.957 2.622 20 0 GFADRO Ic1ccc(CN2CC[C@@H](C[NH+]3CCOCC3)C2)s1 ZINC000602474889 565849871 /nfs/dbraw/zinc/84/98/71/565849871.db2.gz IUQHKXWLZIJLKQ-LBPRGKRZSA-N 1 0 392.306 2.507 20 0 GFADRO [NH3+][C@@H]1CC=C(C(=O)NCc2cc(Cl)ccc2I)C1 ZINC000602518914 565852190 /nfs/dbraw/zinc/85/21/90/565852190.db2.gz TVXWGHZIHZXKIU-LLVKDONJSA-N 1 0 376.625 2.608 20 0 GFADRO Cc1cc(C(=O)N[C@@]2(C)CC[NH2+]C2)c(I)cc1Cl ZINC000602526666 565852314 /nfs/dbraw/zinc/85/23/14/565852314.db2.gz FOXRQWUSECCYRO-ZDUSSCGKSA-N 1 0 378.641 2.735 20 0 GFADRO COC(=O)CC[C@@H]([NH3+])C(=O)N(Cc1ccccc1Br)CC(C)C ZINC000602525040 565853112 /nfs/dbraw/zinc/85/31/12/565853112.db2.gz PYGUELOWEHINRN-OAHLLOKOSA-N 1 0 385.302 2.714 20 0 GFADRO O=C(N[C@@H]1CC[NH2+]C12CCC2)c1ccc(I)cc1Cl ZINC000602535377 565853716 /nfs/dbraw/zinc/85/37/16/565853716.db2.gz YFAGDTPIDCPDPQ-GFCCVEGCSA-N 1 0 390.652 2.959 20 0 GFADRO COC(=O)c1cc(C[NH2+]CCC(=O)Nc2cc(Br)ccc2C)on1 ZINC000602544650 565854313 /nfs/dbraw/zinc/85/43/13/565854313.db2.gz JBHRMCHGRJTVFT-UHFFFAOYSA-N 1 0 396.241 2.651 20 0 GFADRO O=S1(=O)CCC(CC[NH2+]Cc2ccc(I)s2)CC1 ZINC000602575381 565855148 /nfs/dbraw/zinc/85/51/48/565855148.db2.gz GPHQTLVITQYODP-UHFFFAOYSA-N 1 0 399.319 2.657 20 0 GFADRO Brc1cc2ncnc(N3CC[C@H](C[NH+]4CCOCC4)C3)c2s1 ZINC000651322294 565856425 /nfs/dbraw/zinc/85/64/25/565856425.db2.gz LQTINIOEVJWVMV-LLVKDONJSA-N 1 0 383.315 2.612 20 0 GFADRO [NH3+]C[C@@H]1CN([C@@H]2CCN(c3ccc(Cl)cc3)C2=O)CC[C@H]1C(F)(F)F ZINC000629560489 565859025 /nfs/dbraw/zinc/85/90/25/565859025.db2.gz FIJROPHXBDCVEA-KCPJHIHWSA-N 1 0 375.822 2.904 20 0 GFADRO C[C@H](C(=O)NCc1ccccc1Cl)N1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629564664 565859410 /nfs/dbraw/zinc/85/94/10/565859410.db2.gz IIVVRXNQJFUKHT-MRVWCRGKSA-N 1 0 377.838 2.804 20 0 GFADRO O=C(C[NH2+]CCC1CCOCC1)Nc1ccc(I)cc1 ZINC000602650170 565859783 /nfs/dbraw/zinc/85/97/83/565859783.db2.gz CFLQSEHHYCICGV-UHFFFAOYSA-N 1 0 388.249 2.636 20 0 GFADRO O[C@@H](C[NH2+]CC[C@H]1CCCOC1)COc1cc(F)cc(Br)c1 ZINC000629589595 565861598 /nfs/dbraw/zinc/86/15/98/565861598.db2.gz WKAKRUUEWQRLCC-DOMZBBRYSA-N 1 0 376.266 2.734 20 0 GFADRO CC(C)CC[C@H](CO)[NH2+]CCS(=O)(=O)c1cccc(Br)c1 ZINC000629592085 565861726 /nfs/dbraw/zinc/86/17/26/565861726.db2.gz OWMVHUQKTMIGMX-CQSZACIVSA-N 1 0 378.332 2.610 20 0 GFADRO CSc1ccc(OC[C@@H](O)C[NH2+]C[C@@H](n2cccn2)C(F)(F)F)cc1 ZINC000629596147 565861865 /nfs/dbraw/zinc/86/18/65/565861865.db2.gz DLZYMWZXHNYGKW-SWLSCSKDSA-N 1 0 375.416 2.738 20 0 GFADRO C[NH+](C)CCn1ccc(C(=O)N[C@H](CCO)c2cc(Cl)cc(Cl)c2)n1 ZINC000629601429 565862531 /nfs/dbraw/zinc/86/25/31/565862531.db2.gz RKYXRLFGVGKMSF-OAHLLOKOSA-N 1 0 385.295 2.605 20 0 GFADRO CC(C)(C[NH2+]C[C@H](O)COc1cc(Cl)ccc1Cl)C(=O)N1CCCC1 ZINC000629603526 565862809 /nfs/dbraw/zinc/86/28/09/565862809.db2.gz SEKJQFPWBHDFJP-AWEZNQCLSA-N 1 0 389.323 2.971 20 0 GFADRO CCO[C@@H](CC[NH+](C)C)CNC(=O)[C@@H]1CCOc2ccc(Br)cc21 ZINC000651466520 565864476 /nfs/dbraw/zinc/86/44/76/565864476.db2.gz CRPSFQKPDIXDMX-LSDHHAIUSA-N 1 0 399.329 2.788 20 0 GFADRO CCOC(=O)[C@@]1(C[NH2+]Cc2cn3ccc(Br)cc3n2)CCCOC1 ZINC000602743350 565866176 /nfs/dbraw/zinc/86/61/76/565866176.db2.gz FPRXMSYRTUVCCP-QGZVFWFLSA-N 1 0 396.285 2.546 20 0 GFADRO CC[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2sc(Br)cc2C)C1 ZINC000651543033 565870177 /nfs/dbraw/zinc/87/01/77/565870177.db2.gz CXDVQHLHXDUUFM-NSHDSACASA-N 1 0 381.361 2.829 20 0 GFADRO CC[C@H](C[NH+]1CCCC1)NS(=O)(=O)c1sc(C)cc1Br ZINC000674346136 565870646 /nfs/dbraw/zinc/87/06/46/565870646.db2.gz HTJMWJCOZOQQOB-LLVKDONJSA-N 1 0 381.361 2.972 20 0 GFADRO COC(=O)C[C@@](C)([NH2+]CCc1cnccn1)c1ccc(Br)cc1 ZINC000602828526 565870860 /nfs/dbraw/zinc/87/08/60/565870860.db2.gz NWGXTRJKKKSHBP-QGZVFWFLSA-N 1 0 378.270 2.850 20 0 GFADRO COC(=O)c1occc1CN1CC[C@H](Oc2cncc(Br)c2)C1 ZINC000602880214 565873560 /nfs/dbraw/zinc/87/35/60/565873560.db2.gz FQQXFVACRHLYNO-ZDUSSCGKSA-N 1 0 381.226 2.877 20 0 GFADRO CCN1C(=O)[C@@H]2C[N@H+](CC/C=C\c3ccc(Br)cc3)CCN2C1=O ZINC000674469278 565874770 /nfs/dbraw/zinc/87/47/70/565874770.db2.gz YTQUJKYZPUATSV-IMMZDGJCSA-N 1 0 392.297 2.821 20 0 GFADRO O[C@@H](C[N@@H+]1CCC[C@@H]1c1ccccc1Br)CC1(O)CCOCC1 ZINC000630036646 565879026 /nfs/dbraw/zinc/87/90/26/565879026.db2.gz GRCOGXFQTYRSEE-RHSMWYFYSA-N 1 0 384.314 2.879 20 0 GFADRO CC(C)N(Cc1cccc(Br)c1)C(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000630026900 565879355 /nfs/dbraw/zinc/87/93/55/565879355.db2.gz UKZQZIHDYGFQAR-KRWDZBQOSA-N 1 0 380.330 2.576 20 0 GFADRO C[NH2+]C1(CNC(=O)CCc2nc(-c3cc(Br)cs3)no2)CCC1 ZINC000629999400 565879562 /nfs/dbraw/zinc/87/95/62/565879562.db2.gz HYDUSHKTEYRAGE-UHFFFAOYSA-N 1 0 399.314 2.752 20 0 GFADRO O[C@@H](C[N@@H+]1CCC[C@@H]1Cc1ccccc1Br)CC1(O)CCOCC1 ZINC000630048979 565881155 /nfs/dbraw/zinc/88/11/55/565881155.db2.gz DMBBHKLANHUDJI-IAGOWNOFSA-N 1 0 398.341 2.749 20 0 GFADRO Cc1ccc(NC(=O)[C@H](C)n2cc(CSCC[NH3+])nn2)c(Br)c1 ZINC000603184480 565888492 /nfs/dbraw/zinc/88/84/92/565888492.db2.gz BFGWSILCFNGQAI-NSHDSACASA-N 1 0 398.330 2.741 20 0 GFADRO Ic1cccc(OCCCn2cc(C[NH2+]C3CC3)nn2)c1 ZINC000603210239 565890456 /nfs/dbraw/zinc/89/04/56/565890456.db2.gz AZNZHRNZNCVMPO-UHFFFAOYSA-N 1 0 398.248 2.604 20 0 GFADRO C[C@H](c1nc(Cc2ccc(Cl)cc2)no1)n1cc(CSCC[NH3+])nn1 ZINC000603224969 565891603 /nfs/dbraw/zinc/89/16/03/565891603.db2.gz XPPIUCKUOVZAFY-LLVKDONJSA-N 1 0 378.889 2.707 20 0 GFADRO C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N(C)[C@@H]1C[NH+]2CCC1CC2 ZINC000603272868 565893818 /nfs/dbraw/zinc/89/38/18/565893818.db2.gz HOOYXVAZXMVJCZ-XHDPSFHLSA-N 1 0 384.307 2.664 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)C(=O)NCCC[N@@H+](C)CC(C)C ZINC000651904736 565902412 /nfs/dbraw/zinc/90/24/12/565902412.db2.gz JQHJPKSPTRULCL-UHFFFAOYSA-N 1 0 384.318 2.790 20 0 GFADRO CC[C@@H](CCc1ccc(Br)cc1)[NH2+][C@@H]1CCN(S(C)(=O)=O)C1 ZINC000651921713 565903984 /nfs/dbraw/zinc/90/39/84/565903984.db2.gz UWPOPMWVGYIYSQ-JKSUJKDBSA-N 1 0 389.359 2.784 20 0 GFADRO C[C@@H](CNC(=O)CCCc1cccc(Br)c1)N1CC[NH+](C)CC1 ZINC000675463497 565904030 /nfs/dbraw/zinc/90/40/30/565904030.db2.gz MMHPWNXSJJGNQK-HNNXBMFYSA-N 1 0 382.346 2.524 20 0 GFADRO O=C1C[C@H](C[NH2+]Cc2cn(-c3cccc(Cl)c3Cl)nn2)CN1C1CC1 ZINC000651992617 565909861 /nfs/dbraw/zinc/90/98/61/565909861.db2.gz LNYBNVBMTIIXGS-LLVKDONJSA-N 1 0 380.279 2.675 20 0 GFADRO O=C(NCc1cccc2c1CC[NH2+]C2)c1nc(C2CC2)ncc1Br ZINC000630581506 565910811 /nfs/dbraw/zinc/91/08/11/565910811.db2.gz QSAMOSBSDYALAZ-UHFFFAOYSA-N 1 0 387.281 2.692 20 0 GFADRO COCC[N@@H+]1CCN(Cc2cc(O)c(OC)cc2Br)C(C)(C)C1 ZINC000652035763 565911385 /nfs/dbraw/zinc/91/13/85/565911385.db2.gz GUYWGOAKQJIXGJ-UHFFFAOYSA-N 1 0 387.318 2.706 20 0 GFADRO CC(C)c1nc(Cn2cc([C@@H]([NH3+])c3ccc(Br)cc3)nn2)no1 ZINC000630601205 565911522 /nfs/dbraw/zinc/91/15/22/565911522.db2.gz HFGNZHPNVKEFHR-AWEZNQCLSA-N 1 0 377.246 2.643 20 0 GFADRO CCN(CC)[C@@H](C[NH2+]C1CCN(S(C)(=O)=O)CC1)c1ccccc1Cl ZINC000675726223 565913322 /nfs/dbraw/zinc/91/33/22/565913322.db2.gz MMRCTSMBEFKHFK-SFHVURJKSA-N 1 0 387.977 2.737 20 0 GFADRO CCOc1cc(C[NH2+]CC[C@@]2(O)CCCOC2)cc(Br)c1OC ZINC000652039767 565913470 /nfs/dbraw/zinc/91/34/70/565913470.db2.gz NPJWCJJDIZBYDA-KRWDZBQOSA-N 1 0 388.302 2.878 20 0 GFADRO C[NH+](C)CCn1cc(C(=O)N[C@@H]2CCc3cc(Br)ccc32)cn1 ZINC000630812276 565921760 /nfs/dbraw/zinc/92/17/60/565921760.db2.gz GDSSDJLCVUFNKT-MRXNPFEDSA-N 1 0 377.286 2.625 20 0 GFADRO Cc1cc(NC(=O)C(=O)N(C)CC[NH+]2CCCCC2)ccc1Br ZINC000652294164 565922148 /nfs/dbraw/zinc/92/21/48/565922148.db2.gz SAZSPDFVGNNBSY-UHFFFAOYSA-N 1 0 382.302 2.640 20 0 GFADRO O=S1(=O)CC[C@@H]([NH2+]CCC2(CO)CCC2)c2cc(Br)ccc21 ZINC000652312746 565922355 /nfs/dbraw/zinc/92/23/55/565922355.db2.gz ZEGWQCWKXXHNGY-CQSZACIVSA-N 1 0 388.327 2.810 20 0 GFADRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)c2ccc3cncc(Br)c3n2)C1 ZINC000630842041 565922629 /nfs/dbraw/zinc/92/26/29/565922629.db2.gz OVUWRWHYOGOPTI-LBPRGKRZSA-N 1 0 377.286 2.852 20 0 GFADRO CN(Cc1ccc2c(c1)C[NH2+]CC2)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000652341190 565923569 /nfs/dbraw/zinc/92/35/69/565923569.db2.gz OLZCXOJLJRVBQO-SFHVURJKSA-N 1 0 388.309 2.753 20 0 GFADRO O=C(N[C@H]1CC[N@@H+](C2CC2)C1)N[C@@H]1CCOc2ccc(Br)cc21 ZINC000604179372 565924300 /nfs/dbraw/zinc/92/43/00/565924300.db2.gz JQBAEAMZPJPJAF-SWLSCSKDSA-N 1 0 380.286 2.809 20 0 GFADRO O=S1(=O)CCCN1CCC[NH2+]Cc1cc(Br)ccc1Cl ZINC000676044711 565924568 /nfs/dbraw/zinc/92/45/68/565924568.db2.gz BDLDYLRHQRCKLO-UHFFFAOYSA-N 1 0 381.723 2.618 20 0 GFADRO [NH3+]C[C@]12CCC[C@H]1CN(S(=O)(=O)c1cccc(Cl)c1Br)C2 ZINC000652376064 565925765 /nfs/dbraw/zinc/92/57/65/565925765.db2.gz TUXDJYLDJAYBBK-HZMBPMFUSA-N 1 0 393.734 2.852 20 0 GFADRO C[C@H]1CCCN(S(=O)(=O)c2cc(F)c(Br)cc2F)[C@@H]1CC[NH3+] ZINC000652378078 565926528 /nfs/dbraw/zinc/92/65/28/565926528.db2.gz YCWZEWLBWDRRRV-TVQRCGJNSA-N 1 0 397.285 2.865 20 0 GFADRO Cc1ccc(Br)c(S(=O)(=O)N2CCC[C@H](C)[C@H]2CC[NH3+])c1 ZINC000652378111 565926552 /nfs/dbraw/zinc/92/65/52/565926552.db2.gz YRNFTZULRCWXFE-GXTWGEPZSA-N 1 0 375.332 2.896 20 0 GFADRO COc1cc(Br)cc(S(=O)(=O)N2CCC[C@@H](C)[C@H]2CC[NH3+])c1 ZINC000652377952 565926560 /nfs/dbraw/zinc/92/65/60/565926560.db2.gz TUXANVQVALXZSM-IAQYHMDHSA-N 1 0 391.331 2.596 20 0 GFADRO C[C@H]1CCCN(S(=O)(=O)c2cc(Br)ccc2F)[C@@H]1CC[NH3+] ZINC000652378151 565926592 /nfs/dbraw/zinc/92/65/92/565926592.db2.gz ZUGKXGSHEURQLS-GXFFZTMASA-N 1 0 379.295 2.726 20 0 GFADRO CN(Cc1c(F)cccc1Cl)S(=O)(=O)NCc1ccc(C[NH3+])cc1F ZINC000652381183 565926726 /nfs/dbraw/zinc/92/67/26/565926726.db2.gz IJCIDHICYQQBGU-UHFFFAOYSA-N 1 0 389.855 2.543 20 0 GFADRO Cc1cc(F)c(Br)cc1S(=O)(=O)NCCC1CC[NH2+]CC1 ZINC000652384746 565927580 /nfs/dbraw/zinc/92/75/80/565927580.db2.gz LZPCYZCFIDYXAF-UHFFFAOYSA-N 1 0 379.295 2.565 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(C(=O)Nc3nc(C(F)(F)F)cs3)C2)C1 ZINC000652563301 565933937 /nfs/dbraw/zinc/93/39/37/565933937.db2.gz IHDLNEDFQZKKJD-AXFHLTTASA-N 1 0 378.420 2.912 20 0 GFADRO COc1ccc(NC(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)cc1Br ZINC000604623070 565934239 /nfs/dbraw/zinc/93/42/39/565934239.db2.gz FSLSKBMIMWJXND-CABCVRRESA-N 1 0 398.301 2.521 20 0 GFADRO Cc1nc(NC(=O)N2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)ccc1Br ZINC000652594925 565934677 /nfs/dbraw/zinc/93/46/77/565934677.db2.gz KPMFYKYYFDZWTC-GZBFAFLISA-N 1 0 397.317 2.903 20 0 GFADRO O=C(NCCC1CC[NH2+]CC1)Nc1cc(Br)cnc1-n1cccn1 ZINC000652595275 565934802 /nfs/dbraw/zinc/93/48/02/565934802.db2.gz SYPXBFGDZGVHSS-UHFFFAOYSA-N 1 0 393.289 2.541 20 0 GFADRO [NH3+]CC1(CCNC(=O)C(=O)Nc2cccnc2-c2ccc(Cl)s2)CC1 ZINC000652634281 565936120 /nfs/dbraw/zinc/93/61/20/565936120.db2.gz XPSUQLCGKMFNMP-UHFFFAOYSA-N 1 0 378.885 2.647 20 0 GFADRO C[C@H](NC(=O)C(=O)NCCC1CC[NH2+]CC1)c1cc(F)c(Cl)cc1Cl ZINC000652666944 565937356 /nfs/dbraw/zinc/93/73/56/565937356.db2.gz YJTARILYSNWCDW-JTQLQIEISA-N 1 0 390.286 2.816 20 0 GFADRO CN1CC[C@H]([NH2+]Cc2ccc(Cl)c(S(N)(=O)=O)c2)[C@@H]1c1ccccc1 ZINC000631103218 565941200 /nfs/dbraw/zinc/94/12/00/565941200.db2.gz XMOFWTPTCXBWGV-WMZOPIPTSA-N 1 0 379.913 2.522 20 0 GFADRO COCCO[C@@H]1COCC[C@H]1[NH2+]Cc1cc(OC)c(Br)cc1F ZINC000631115584 565943322 /nfs/dbraw/zinc/94/33/22/565943322.db2.gz WHRGCNYRTIXILZ-GDBMZVCRSA-N 1 0 392.265 2.507 20 0 GFADRO C[NH+](C)C[C@H](NCc1ccc(Cl)c(S(N)(=O)=O)c1)c1ccc(F)cc1 ZINC000631136903 565943704 /nfs/dbraw/zinc/94/37/04/565943704.db2.gz RIJHIGZIRZXFNW-INIZCTEOSA-N 1 0 385.892 2.519 20 0 GFADRO C[C@@]1(C[NH2+]Cc2ccc(Cl)c(S(N)(=O)=O)c2)OCCc2sccc21 ZINC000631138234 565944630 /nfs/dbraw/zinc/94/46/30/565944630.db2.gz FSQUIFQHVJYQCN-INIZCTEOSA-N 1 0 386.926 2.627 20 0 GFADRO COc1ccc(Br)cc1C[C@H](CO)C[NH2+]Cc1ncnn1C(C)C ZINC000631153728 565945838 /nfs/dbraw/zinc/94/58/38/565945838.db2.gz GXQILQJDMUOFCZ-ZDUSSCGKSA-N 1 0 397.317 2.571 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2Cc1cn2cc(Br)ccc2n1 ZINC000676716806 565946608 /nfs/dbraw/zinc/94/66/08/565946608.db2.gz YTGXEQLLMIXDBJ-IKGGRYGDSA-N 1 0 393.329 2.780 20 0 GFADRO COc1cc(C[NH2+]C[C@@H](n2cncn2)C(F)(F)F)c(SC)cc1OC ZINC000631209990 565948398 /nfs/dbraw/zinc/94/83/98/565948398.db2.gz CWXWVRFKDRBXGV-CQSZACIVSA-N 1 0 376.404 2.910 20 0 GFADRO C[C@H]1SCC[N@H+](CC(=O)N2CCN(Cc3cccc(Cl)c3)CC2)[C@H]1C ZINC000605335718 565950183 /nfs/dbraw/zinc/95/01/83/565950183.db2.gz QQEDUQKCFZPUPE-JKSUJKDBSA-N 1 0 381.973 2.810 20 0 GFADRO CC[C@H](C(=O)N1CCN(c2ccc(Br)cn2)CC1)[NH+](CC)CC ZINC000605427210 565951244 /nfs/dbraw/zinc/95/12/44/565951244.db2.gz CXOPGQDMFJJSSE-OAHLLOKOSA-N 1 0 383.334 2.613 20 0 GFADRO CC(C)Oc1cc(C(=O)NC[C@](C)(O)CC[NH+](C)C)ccc1Br ZINC000653024287 565952198 /nfs/dbraw/zinc/95/21/98/565952198.db2.gz KDAZZGXHTNJARD-QGZVFWFLSA-N 1 0 387.318 2.669 20 0 GFADRO CCN=c1[nH]cc(C(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccc(C)s3)C2)s1 ZINC000653031162 565952312 /nfs/dbraw/zinc/95/23/12/565952312.db2.gz FFDNTWOWMMZNAC-AWEZNQCLSA-N 1 0 378.567 2.961 20 0 GFADRO CCN(CC)S(=O)(=O)c1cc(NC(=O)[C@@H]2CCC[NH2+]CC2)ccc1Cl ZINC000653058384 565953481 /nfs/dbraw/zinc/95/34/81/565953481.db2.gz PUBSNXVGHNWLKL-CYBMUJFWSA-N 1 0 387.933 2.699 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653058721 565953535 /nfs/dbraw/zinc/95/35/35/565953535.db2.gz CVOZTAMTJNMROL-JKSUJKDBSA-N 1 0 394.313 2.685 20 0 GFADRO CCc1c(NC(=O)[C@H](N)CC[NH+](C)C)n[nH]c1-c1ccc(Br)cc1 ZINC000653089215 565953996 /nfs/dbraw/zinc/95/39/96/565953996.db2.gz ATYQHWOTBXRCLX-CQSZACIVSA-N 1 0 394.317 2.619 20 0 GFADRO O=C(N[C@@H]1CCN(c2ccccc2Br)C1)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653119614 565955222 /nfs/dbraw/zinc/95/52/22/565955222.db2.gz PPJDVKJMUBWNFJ-KBMXLJTQSA-N 1 0 378.314 2.675 20 0 GFADRO Cc1c(Br)c2ccccc2n1CC(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000653134084 565956254 /nfs/dbraw/zinc/95/62/54/565956254.db2.gz LUMAVWNUYVELKM-HIFRSBDPSA-N 1 0 376.298 2.923 20 0 GFADRO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCN(C(=O)Cc3ccc(Br)c(F)c3)C2)C1 ZINC000653182032 565957262 /nfs/dbraw/zinc/95/72/62/565957262.db2.gz MWLMBMMPSLZOAL-CKEIUWERSA-N 1 0 399.304 2.876 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(C(=O)Cc3cc(F)ccc3Br)C2)C1 ZINC000653183265 565957265 /nfs/dbraw/zinc/95/72/65/565957265.db2.gz BROPNHXHCPVPFM-MJEQTWJJSA-N 1 0 399.304 2.876 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc(Br)c3nccn3c2)[C@H](C)C1 ZINC000631466928 565958656 /nfs/dbraw/zinc/95/86/56/565958656.db2.gz SIBLJHYENCPMRP-DOMZBBRYSA-N 1 0 379.302 2.899 20 0 GFADRO O=C(NCCC1CC[NH2+]CC1)[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000653270390 565961668 /nfs/dbraw/zinc/96/16/68/565961668.db2.gz PNJXKWHEBGIBBA-CQSZACIVSA-N 1 0 384.307 2.852 20 0 GFADRO Cc1c(Br)c[nH]c(=O)c1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000631582599 565962380 /nfs/dbraw/zinc/96/23/80/565962380.db2.gz MLJQMXQIVVSHDN-OLZOCXBDSA-N 1 0 382.302 2.945 20 0 GFADRO CC[N@@H+]1CCN(Cc2noc(Cc3ccc(Br)cc3)n2)C[C@@H]1C ZINC000677191549 565964250 /nfs/dbraw/zinc/96/42/50/565964250.db2.gz COYZXFXDPFTBKF-ZDUSSCGKSA-N 1 0 379.302 2.949 20 0 GFADRO O=C(NCc1n[nH]cc1Br)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000606482470 565965949 /nfs/dbraw/zinc/96/59/49/565965949.db2.gz XPYMVJFJNRYOLK-MRXNPFEDSA-N 1 0 392.301 2.809 20 0 GFADRO CCC[C@@H](CCO)[NH2+][C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000631669776 565966555 /nfs/dbraw/zinc/96/65/55/565966555.db2.gz RSPIFWRYUNIJAZ-GXTWGEPZSA-N 1 0 376.316 2.808 20 0 GFADRO FC(F)(F)c1sccc1C[NH2+]C1CCN(CCN2CCOCC2)CC1 ZINC000631657440 565966615 /nfs/dbraw/zinc/96/66/15/565966615.db2.gz WHZVNTGLYPCDSI-UHFFFAOYSA-N 1 0 377.476 2.653 20 0 GFADRO CNS(=O)(=O)CCC[NH2+][C@@H]1CCCc2nc(-c3ccccc3F)sc21 ZINC000631708198 565968525 /nfs/dbraw/zinc/96/85/25/565968525.db2.gz CIQIZWWPYFLFDR-CQSZACIVSA-N 1 0 383.514 2.856 20 0 GFADRO C[NH+]1CCC(N(Cc2ccco2)S(=O)(=O)C[C@H]2CCC(F)(F)C2)CC1 ZINC000631706614 565968794 /nfs/dbraw/zinc/96/87/94/565968794.db2.gz JILQEIXGYZFUMX-AWEZNQCLSA-N 1 0 376.469 2.941 20 0 GFADRO CC[C@H]([NH2+][C@H](C)[C@@H](O)C(F)(F)F)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000631716405 565969944 /nfs/dbraw/zinc/96/99/44/565969944.db2.gz LDECQSGVVXPXNH-YDEJPDAXSA-N 1 0 388.839 2.601 20 0 GFADRO O=C(NCc1n[nH]cc1Br)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000606694913 565969957 /nfs/dbraw/zinc/96/99/57/565969957.db2.gz SFVSQUFPHOIQEA-AWEZNQCLSA-N 1 0 398.349 2.970 20 0 GFADRO CN(C)C(=O)CCC[NH+]1CCC(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000653575897 565972616 /nfs/dbraw/zinc/97/26/16/565972616.db2.gz TZPDUZMKFLJMKG-UHFFFAOYSA-N 1 0 396.329 2.968 20 0 GFADRO OC[C@H]([NH2+]C[C@@H]1CN(c2ccccc2)CCO1)c1ccc(Br)cc1 ZINC000653611893 565973440 /nfs/dbraw/zinc/97/34/40/565973440.db2.gz RVPICXVJZWJITP-MOPGFXCFSA-N 1 0 391.309 2.978 20 0 GFADRO C[C@H](NC(=O)Nc1cc(N(C)C)c(Br)cn1)C1CC[NH+](C)CC1 ZINC000653653613 565976309 /nfs/dbraw/zinc/97/63/09/565976309.db2.gz VCGJKALCUKDFPG-NSHDSACASA-N 1 0 384.322 2.762 20 0 GFADRO O=C(CN1CCC[C@H]2C[NH2+]CC[C@@H]21)Nc1c(F)cc(F)cc1Br ZINC000631885766 565980000 /nfs/dbraw/zinc/98/00/00/565980000.db2.gz DSEVSQJSDMLUBP-HZMBPMFUSA-N 1 0 388.256 2.740 20 0 GFADRO Brc1cccc(Cc2noc(CN3CCC[C@H]4C[NH2+]CC[C@H]43)n2)c1 ZINC000631885879 565980165 /nfs/dbraw/zinc/98/01/65/565980165.db2.gz CEWLBAMDQRXCCM-GOEBONIOSA-N 1 0 391.313 2.997 20 0 GFADRO CN(C1CC[NH2+]CC1)S(=O)(=O)N(Cc1ccc(Cl)c(Cl)c1)C1CC1 ZINC000631914782 565982211 /nfs/dbraw/zinc/98/22/11/565982211.db2.gz XMFONJZSWZEEBN-UHFFFAOYSA-N 1 0 392.352 2.886 20 0 GFADRO C[C@@H]([NH3+])c1ccc(CNS(=O)(=O)Cc2ncsc2Br)cc1 ZINC000631907307 565982575 /nfs/dbraw/zinc/98/25/75/565982575.db2.gz IFXUMFGBYLEFTB-SECBINFHSA-N 1 0 390.328 2.545 20 0 GFADRO COCC[C@H](Cc1cccc(Br)c1)C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000607339727 565983114 /nfs/dbraw/zinc/98/31/14/565983114.db2.gz QJCYTMZFJYZOOO-NVXWUHKLSA-N 1 0 383.330 2.855 20 0 GFADRO CC(F)(F)CCS(=O)(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000631943236 565984496 /nfs/dbraw/zinc/98/44/96/565984496.db2.gz QMNDSZWRGVGRGX-UHFFFAOYSA-N 1 0 376.469 2.626 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)CS(=O)(=O)Cc2ccc(Cl)s2)[C@@H](C)C1 ZINC000607521373 565985287 /nfs/dbraw/zinc/98/52/87/565985287.db2.gz PDICIZXDPQNOJX-GXTWGEPZSA-N 1 0 392.974 2.505 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)CSc2nncn2-c2cccc(Cl)c2)CC[N@@H+]1C ZINC000607688729 565987554 /nfs/dbraw/zinc/98/75/54/565987554.db2.gz UCVNDEINIBCCPG-OCCSQVGLSA-N 1 0 379.917 2.612 20 0 GFADRO C[C@@H]1C[C@H](N(C)C(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CC2)CC[N@@H+]1C ZINC000607665225 565987660 /nfs/dbraw/zinc/98/76/60/565987660.db2.gz STEGRBNUUPLVOM-UKRRQHHQSA-N 1 0 384.929 2.587 20 0 GFADRO C[C@H]1C[C@H](NC(=O)CSc2nncn2-c2cccc(Cl)c2)CC[N@@H+]1C ZINC000607688727 565987820 /nfs/dbraw/zinc/98/78/20/565987820.db2.gz UCVNDEINIBCCPG-GXTWGEPZSA-N 1 0 379.917 2.612 20 0 GFADRO CN(C(=O)[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)[C@H]1CCC[N@H+](C)C1 ZINC000607687196 565988018 /nfs/dbraw/zinc/98/80/18/565988018.db2.gz RHIHUUZKCHEXLA-KBPBESRZSA-N 1 0 384.307 2.899 20 0 GFADRO C[NH+](C)CCOC1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000607724392 565989005 /nfs/dbraw/zinc/98/90/05/565989005.db2.gz OAKFKACWWIIWDY-UHFFFAOYSA-N 1 0 381.325 2.725 20 0 GFADRO O=C(C[NH+]1CCCC1)N1CCN(CCOc2cc(Cl)cc(Cl)c2)CC1 ZINC000607729355 565989326 /nfs/dbraw/zinc/98/93/26/565989326.db2.gz TVHJUFVQFRJIJQ-UHFFFAOYSA-N 1 0 386.323 2.612 20 0 GFADRO Cc1ccc(Br)cc1C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000607909982 565992174 /nfs/dbraw/zinc/99/21/74/565992174.db2.gz SFIPYARERRJVSO-INIZCTEOSA-N 1 0 380.330 2.610 20 0 GFADRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)[C@@H]2CC(=O)N(c3cc(Cl)cc(Cl)c3)C2)C1 ZINC000654067795 565994923 /nfs/dbraw/zinc/99/49/23/565994923.db2.gz BYKFNAJKSJCJGR-JMSVASOKSA-N 1 0 384.307 2.803 20 0 GFADRO C[N@H+](CC1CC1)C[C@@H]1CCN(S(=O)(=O)c2cscc2Br)C1 ZINC000632057497 565996146 /nfs/dbraw/zinc/99/61/46/565996146.db2.gz GLPSZTXBMCNWCP-LBPRGKRZSA-N 1 0 393.372 2.863 20 0 GFADRO COc1ccc(S(=O)(=O)N[C@H]2CC[N@H+](CC3CC3)C2)c(Cl)c1Cl ZINC000608024157 565997664 /nfs/dbraw/zinc/99/76/64/565997664.db2.gz ZRXYJTHDMLQYJV-NSHDSACASA-N 1 0 379.309 2.765 20 0 GFADRO C[NH+]1CCC([C@H]2CCN(C(=O)c3cc(Br)c4nccn4c3)C2)CC1 ZINC000632115752 566000349 /nfs/dbraw/zinc/00/03/49/566000349.db2.gz BTNWZQLKMACZOW-AWEZNQCLSA-N 1 0 391.313 2.901 20 0 GFADRO C[C@H](C[NH+]1CCC(NS(C)(=O)=O)CC1)c1cccc(Br)c1 ZINC000678129807 566001885 /nfs/dbraw/zinc/00/18/85/566001885.db2.gz YRKLRHLZRCSHTI-GFCCVEGCSA-N 1 0 375.332 2.566 20 0 GFADRO O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1cc(Br)c2c(c1)OCCO2 ZINC000654312532 566005253 /nfs/dbraw/zinc/00/52/53/566005253.db2.gz WTFCBCLMHLSTEI-CABCVRRESA-N 1 0 395.297 2.967 20 0 GFADRO C[N@H+](CCN1CCCS1(=O)=O)[C@@H]1CCCc2ccc(Br)cc21 ZINC000678312295 566007409 /nfs/dbraw/zinc/00/74/09/566007409.db2.gz HQJAUGRYNGUHKX-MRXNPFEDSA-N 1 0 387.343 2.794 20 0 GFADRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)N[C@H]2CCN(c3ccc(Br)cc3)C2)C1 ZINC000654427002 566010248 /nfs/dbraw/zinc/01/02/48/566010248.db2.gz YRWKCJSTMBIZNW-JLJPHGGASA-N 1 0 395.345 2.667 20 0 GFADRO CN(CCC[NH2+][C@H]1CCCc2ccc(Br)cc21)S(C)(=O)=O ZINC000678411460 566010810 /nfs/dbraw/zinc/01/08/10/566010810.db2.gz LOXMJYGWGZKGMI-HNNXBMFYSA-N 1 0 375.332 2.698 20 0 GFADRO Cc1cc(S(=O)(=O)N2CCC(N3CC[NH+](C(C)C)CC3)CC2)sc1C ZINC000678619019 566014330 /nfs/dbraw/zinc/01/43/30/566014330.db2.gz QGIYCBQOAGNEMN-UHFFFAOYSA-N 1 0 385.599 2.544 20 0 GFADRO COc1ccc([C@@H](C)[NH2+]CC[C@H]2CCS(=O)(=O)C2)cc1Br ZINC000678732782 566018188 /nfs/dbraw/zinc/01/81/88/566018188.db2.gz CKVZGIJAXURPKY-NEPJUHHUSA-N 1 0 376.316 2.933 20 0 GFADRO O=C(N[C@H](CO)c1cccc(Br)c1)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000654729157 566020650 /nfs/dbraw/zinc/02/06/50/566020650.db2.gz DAGHWKJMDIMJEU-BBWFWOEESA-N 1 0 396.329 2.799 20 0 GFADRO CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1F ZINC000632407983 566029480 /nfs/dbraw/zinc/02/94/80/566029480.db2.gz NWNCLFSHOYOBDS-UHFFFAOYSA-N 1 0 391.896 2.542 20 0 GFADRO Cc1cccc(NC(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)c1Br ZINC000654948626 566031214 /nfs/dbraw/zinc/03/12/14/566031214.db2.gz DWMITHRUIULOKA-HIFRSBDPSA-N 1 0 394.313 2.829 20 0 GFADRO COC(=O)c1ccc(S(=O)(=O)NCCC[N@@H+]2CCCC[C@@H]2C)c(Cl)c1 ZINC000609196162 566032494 /nfs/dbraw/zinc/03/24/94/566032494.db2.gz CXTQAKBFDJLYNM-ZDUSSCGKSA-N 1 0 388.917 2.669 20 0 GFADRO C[C@H](NC(=O)c1ccc(I)c(F)c1)C1CC[NH+](C)CC1 ZINC000609213897 566033386 /nfs/dbraw/zinc/03/33/86/566033386.db2.gz LHFCNYXTSHNEOZ-JTQLQIEISA-N 1 0 390.240 2.890 20 0 GFADRO O=C(N[C@@H](CO)c1ccc(Br)cc1)C1C[NH+](C2CCCCC2)C1 ZINC000655036839 566036406 /nfs/dbraw/zinc/03/64/06/566036406.db2.gz VSMGUHUTWFKOOW-KRWDZBQOSA-N 1 0 381.314 2.863 20 0 GFADRO C[C@@H]1COCCN1CC[NH2+][C@@H](c1ccc(Br)cc1)[C@H]1CCCO1 ZINC000679339400 566038554 /nfs/dbraw/zinc/03/85/54/566038554.db2.gz JGFFSEXICKXDLJ-OLMNPRSZSA-N 1 0 383.330 2.980 20 0 GFADRO O=C(N[C@H](CCO)c1ccccc1Br)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000679775547 566052451 /nfs/dbraw/zinc/05/24/51/566052451.db2.gz IAJGPYMPKHZWRT-CKEIUWERSA-N 1 0 396.329 2.799 20 0 GFADRO COc1ccccc1[C@H](CO)[NH2+]C[C@@H](O)COc1cccc(Br)c1 ZINC000679827003 566054576 /nfs/dbraw/zinc/05/45/76/566054576.db2.gz NSRBGIQRCOQLNU-PBHICJAKSA-N 1 0 396.281 2.521 20 0 GFADRO COc1cc(Br)ccc1CCC(=O)NCC[NH+]1CCC(OC)CC1 ZINC000679892559 566055992 /nfs/dbraw/zinc/05/59/92/566055992.db2.gz UGHQWKWVSFCZOJ-UHFFFAOYSA-N 1 0 399.329 2.617 20 0 GFADRO O=C(NCc1nc(-c2cccc(Br)c2)no1)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000655477802 566058704 /nfs/dbraw/zinc/05/87/04/566058704.db2.gz ZHODISYSCBXBDD-SUMWQHHRSA-N 1 0 391.269 2.505 20 0 GFADRO O=C(NCCCc1c(Cl)cccc1Cl)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000655493552 566059866 /nfs/dbraw/zinc/05/98/66/566059866.db2.gz NWYLKVSOIHIFBJ-LBPRGKRZSA-N 1 0 382.295 2.872 20 0 GFADRO Cc1c(Br)cccc1CS(=O)(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000655503892 566061509 /nfs/dbraw/zinc/06/15/09/566061509.db2.gz LKDZCCREEGLAHK-AWEZNQCLSA-N 1 0 375.332 2.613 20 0 GFADRO O=C(NCCCc1cccc(Br)c1)NC[C@@H]1CCC[N@H+]1CCCO ZINC000655505713 566061530 /nfs/dbraw/zinc/06/15/30/566061530.db2.gz PGNKVLSMVWXCHQ-KRWDZBQOSA-N 1 0 398.345 2.528 20 0 GFADRO CC[C@@H]1[C@@H](C(=O)N(CCO)Cc2cc(Br)cs2)CC[N@@H+]1C ZINC000632756288 566064959 /nfs/dbraw/zinc/06/49/59/566064959.db2.gz ARAWQAPZWBTQFZ-UONOGXRCSA-N 1 0 375.332 2.562 20 0 GFADRO CN(C)c1cc[nH+]c(NC(=O)CCNC(=O)c2ccc(Br)cc2)c1 ZINC000680258133 566066448 /nfs/dbraw/zinc/06/64/48/566066448.db2.gz IOUCYRAHPWUNRX-UHFFFAOYSA-N 1 0 391.269 2.669 20 0 GFADRO Cc1csc(-c2ccc(S(=O)(=O)N3CC[C@H]4CC[N@@H+](C)C[C@@H]43)cc2)n1 ZINC000655552993 566067661 /nfs/dbraw/zinc/06/76/61/566067661.db2.gz YKLMYUOSEBSVAA-PBHICJAKSA-N 1 0 377.535 2.833 20 0 GFADRO O=C(Nc1ccccc1SCC(F)(F)F)N1CCC([NH2+]CCO)CC1 ZINC000632892850 566073274 /nfs/dbraw/zinc/07/32/74/566073274.db2.gz HAEKNYGUOYUKII-UHFFFAOYSA-N 1 0 377.432 2.919 20 0 GFADRO C[N@@H+]1CCC[C@@H](NC(=O)Nc2cc(F)c(F)cc2I)C1 ZINC000610334855 566078535 /nfs/dbraw/zinc/07/85/35/566078535.db2.gz VHGOINDYIRTAOO-MRVPVSSYSA-N 1 0 395.191 2.785 20 0 GFADRO [NH3+]C[C@H]1CC[C@H](NC(=O)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)CC1 ZINC000633036480 566080776 /nfs/dbraw/zinc/08/07/76/566080776.db2.gz KEIIQZHVDURXBY-HOMQSWHASA-N 1 0 377.794 2.931 20 0 GFADRO CCC1([NH+]2CCCC2)CCN(C(=O)NCc2n[nH]cc2Br)CC1 ZINC000633043104 566080793 /nfs/dbraw/zinc/08/07/93/566080793.db2.gz WBNIQBQBVNNSJX-UHFFFAOYSA-N 1 0 384.322 2.722 20 0 GFADRO O=S(=O)(Cc1ccc(Br)cc1)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000655670425 566081358 /nfs/dbraw/zinc/08/13/58/566081358.db2.gz ZTSCUFSEVOEIOM-JKSUJKDBSA-N 1 0 387.343 2.885 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)C(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000633047382 566082084 /nfs/dbraw/zinc/08/20/84/566082084.db2.gz NLTGSABAVQMEQE-CYBMUJFWSA-N 1 0 382.302 2.590 20 0 GFADRO Cc1nn(-c2cccc(Br)c2)cc1C[NH2+]CCCC(=O)N(C)C ZINC000655717626 566083506 /nfs/dbraw/zinc/08/35/06/566083506.db2.gz CYGUZGHMDCWHFY-UHFFFAOYSA-N 1 0 379.302 2.901 20 0 GFADRO CN1CC[NH+]([C@H]2CC[C@@H](NC(=O)c3c(F)cccc3Br)CC2)CC1 ZINC000680842544 566084537 /nfs/dbraw/zinc/08/45/37/566084537.db2.gz LVELRQBUYCZZGA-OKILXGFUSA-N 1 0 398.320 2.877 20 0 GFADRO Cc1nn(-c2ccccc2Br)cc1C[NH2+]C[C@@]1(O)CCSC1 ZINC000655744918 566085654 /nfs/dbraw/zinc/08/56/54/566085654.db2.gz XKLJVYQLNMFWJR-INIZCTEOSA-N 1 0 382.327 2.901 20 0 GFADRO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)NCc1c(Br)cnn1C ZINC000633151957 566086061 /nfs/dbraw/zinc/08/60/61/566086061.db2.gz BKBJEOMJWVZZBW-CYBMUJFWSA-N 1 0 394.317 2.502 20 0 GFADRO Cc1nn(-c2ccccc2Br)cc1C[NH2+]CCN1CCOC[C@H]1C ZINC000655731663 566086231 /nfs/dbraw/zinc/08/62/31/566086231.db2.gz ZLRFNECMGBMQTK-CQSZACIVSA-N 1 0 393.329 2.754 20 0 GFADRO Brc1cnn(CCCC[NH2+]C2CCN(C[C@H]3CCCO3)CC2)c1 ZINC000655764828 566086877 /nfs/dbraw/zinc/08/68/77/566086877.db2.gz SKCORJKLKCDLMR-QGZVFWFLSA-N 1 0 385.350 2.659 20 0 GFADRO Cc1cc(Br)cn2cc(CNC3CC[NH+]([C@@H]4CCOC4)CC3)nc12 ZINC000655754157 566087119 /nfs/dbraw/zinc/08/71/19/566087119.db2.gz OJXHJYKJXDSBOX-QGZVFWFLSA-N 1 0 393.329 2.748 20 0 GFADRO Cc1nn(-c2cccc(Br)c2)cc1C[NH2+]CCCn1ccnn1 ZINC000655760567 566087397 /nfs/dbraw/zinc/08/73/97/566087397.db2.gz UCQMJIBMTNKWKN-UHFFFAOYSA-N 1 0 375.274 2.715 20 0 GFADRO CCC[C@@H](O)[C@H](CO)[NH2+]Cc1cn(-c2ccccc2Br)nc1C ZINC000655780535 566088406 /nfs/dbraw/zinc/08/84/06/566088406.db2.gz SQAFBULAWUHASV-DOTOQJQBSA-N 1 0 382.302 2.555 20 0 GFADRO COc1ccc(C[C@H](CO)C[NH2+][C@H]2CCCn3ccnc32)cc1Br ZINC000655774004 566088934 /nfs/dbraw/zinc/08/89/34/566088934.db2.gz NIKSCZKDHWJHCH-HOCLYGCPSA-N 1 0 394.313 2.930 20 0 GFADRO Cc1nn(-c2ccccc2Br)cc1C[NH2+]CCCc1ncn(C)n1 ZINC000655788259 566090090 /nfs/dbraw/zinc/09/00/90/566090090.db2.gz FZBGMXLDYHBXBF-UHFFFAOYSA-N 1 0 389.301 2.794 20 0 GFADRO [NH3+]C[C@@H](NC(=O)NCCCc1ccc(Br)cc1F)C(F)(F)F ZINC000655916632 566095846 /nfs/dbraw/zinc/09/58/46/566095846.db2.gz FPDVNFVYRHFEOF-LLVKDONJSA-N 1 0 386.187 2.710 20 0 GFADRO CCOc1cc(Br)c(F)cc1NC(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000655928118 566097191 /nfs/dbraw/zinc/09/71/91/566097191.db2.gz QUHKVWFYFBLINS-JTQLQIEISA-N 1 0 388.159 2.998 20 0 GFADRO Cc1csc(-c2ccc(S(=O)(=O)N3C[C@@H]4CCC[C@@H]([NH3+])[C@H]4C3)cc2)n1 ZINC000655951753 566098558 /nfs/dbraw/zinc/09/85/58/566098558.db2.gz YLUVQQMUFBBESV-BHYGNILZSA-N 1 0 377.535 2.866 20 0 GFADRO O=C(N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)N1CCOc2cccc(Br)c2C1 ZINC000655969497 566099735 /nfs/dbraw/zinc/09/97/35/566099735.db2.gz JDBXEPNHKTXKTR-MELADBBJSA-N 1 0 394.313 2.741 20 0 GFADRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)N1CCOc2cccc(Br)c2C1 ZINC000655963267 566100181 /nfs/dbraw/zinc/10/01/81/566100181.db2.gz MXGYBKBSDKXGDC-WFASDCNBSA-N 1 0 382.302 2.871 20 0 GFADRO [NH3+]C[C@H](NC(=O)N1CCOc2cccc(Br)c2C1)C1CCCC1 ZINC000655966976 566100424 /nfs/dbraw/zinc/10/04/24/566100424.db2.gz JFCRZBYSBNKWJQ-HNNXBMFYSA-N 1 0 382.302 2.871 20 0 GFADRO C[C@@H](C[NH2+]C[C@@H](O)COc1ccc(Cl)c(Cl)c1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656153304 566106583 /nfs/dbraw/zinc/10/65/83/566106583.db2.gz OHFKSXJNUAIMEE-BYNSBNAKSA-N 1 0 391.339 2.820 20 0 GFADRO C[C@H](C[NH2+]C[C@H](O)COc1ccc(Cl)cc1Cl)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656153056 566106934 /nfs/dbraw/zinc/10/69/34/566106934.db2.gz MWZFOSXTERHTGA-NYTXWWLZSA-N 1 0 391.339 2.820 20 0 GFADRO O=C(Cc1sccc1Br)N1CCc2[nH]cnc2C12CCOCC2 ZINC000633528052 566108045 /nfs/dbraw/zinc/10/80/45/566108045.db2.gz MRWHZXOVDBTZCE-UHFFFAOYSA-N 1 0 396.310 2.867 20 0 GFADRO O=C([C@H]1SCCc2sccc21)N1CCc2[nH]cnc2C12CCOCC2 ZINC000633526717 566108500 /nfs/dbraw/zinc/10/85/00/566108500.db2.gz XHFYCQJPMDXKBU-HNNXBMFYSA-N 1 0 375.519 2.892 20 0 GFADRO CN(C(=O)c1cnn(CC[NH+](C)C)c1)[C@@H](CO)c1cccc(Cl)c1Cl ZINC000633626411 566112689 /nfs/dbraw/zinc/11/26/89/566112689.db2.gz QISGWGTVCRDXNU-HNNXBMFYSA-N 1 0 385.295 2.557 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1CN[C@@H](C[NH3+])C(F)(F)F ZINC000656194415 566113213 /nfs/dbraw/zinc/11/32/13/566113213.db2.gz JONWQFREVBSQKP-ZDUSSCGKSA-N 1 0 377.208 2.922 20 0 GFADRO O=C(Nc1cnn(-c2cc[nH+]cc2)c1)c1cncc(I)c1 ZINC000611133611 566116435 /nfs/dbraw/zinc/11/64/35/566116435.db2.gz KLRLWGZIPFWCSP-UHFFFAOYSA-N 1 0 391.172 2.519 20 0 GFADRO Cc1nn(-c2cccc(Br)c2)cc1C[N@@H+]1CC[C@@]2(CNC(=O)C2)C1 ZINC000656258195 566118492 /nfs/dbraw/zinc/11/84/92/566118492.db2.gz POGKTBQQCCQAFU-GOSISDBHSA-N 1 0 389.297 2.655 20 0 GFADRO CNC(=O)[C@@H]1CC[N@H+](Cc2cn(-c3ccccc3Br)nc2C)C1 ZINC000656264601 566120163 /nfs/dbraw/zinc/12/01/63/566120163.db2.gz MXYDGCLIVCLPOQ-CYBMUJFWSA-N 1 0 377.286 2.511 20 0 GFADRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1cnc2ncc(Br)cc2c1 ZINC000682002386 566137670 /nfs/dbraw/zinc/13/76/70/566137670.db2.gz YIRIUFZJISHZTL-ABAIWWIYSA-N 1 0 377.286 2.805 20 0 GFADRO C[NH+]1CCC(n2cc(NC(=O)c3n[nH]c(C4CC4)c3Br)cn2)CC1 ZINC000634090657 566142859 /nfs/dbraw/zinc/14/28/59/566142859.db2.gz IILMOTVIFIPDLJ-UHFFFAOYSA-N 1 0 393.289 2.765 20 0 GFADRO COc1ncc(C(=O)Nc2cnn(C3CC[NH+](C)CC3)c2)cc1Br ZINC000634097291 566143780 /nfs/dbraw/zinc/14/37/80/566143780.db2.gz WKAOLRZXLYBPEE-UHFFFAOYSA-N 1 0 394.273 2.568 20 0 GFADRO O=S1(=O)CCCN1CCC[NH2+][C@H](c1ccc(Br)s1)C1CC1 ZINC000682190782 566146896 /nfs/dbraw/zinc/14/68/96/566146896.db2.gz BAMQDIUTPFCARE-AWEZNQCLSA-N 1 0 393.372 2.977 20 0 GFADRO CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)Nc1cc(F)ccc1Br ZINC000682271469 566148907 /nfs/dbraw/zinc/14/89/07/566148907.db2.gz AFWBSCQASAEGHU-GFCCVEGCSA-N 1 0 386.265 2.517 20 0 GFADRO COC1CC[NH+](CCNC(=O)c2cc3cc(Br)sc3[nH]2)CC1 ZINC000612055960 566150354 /nfs/dbraw/zinc/15/03/54/566150354.db2.gz FQJFYXZTYDQPLC-UHFFFAOYSA-N 1 0 386.315 2.833 20 0 GFADRO CN(CCCC[NH+](C)C)C(=O)Nc1cc(Br)cnc1-n1cccn1 ZINC000682418343 566152152 /nfs/dbraw/zinc/15/21/52/566152152.db2.gz KAZRXBVKWSJCTP-UHFFFAOYSA-N 1 0 395.305 2.835 20 0 GFADRO C[C@H](CNC(=O)C(=O)NCc1ccc(Cl)c(Cl)c1)C[NH+]1CCCCC1 ZINC000612416048 566161350 /nfs/dbraw/zinc/16/13/50/566161350.db2.gz ASGYERJEHGZFSO-CYBMUJFWSA-N 1 0 386.323 2.848 20 0 GFADRO COc1cc(Br)ccc1[C@@H](C)[NH2+]CC[C@H]1CCS(=O)(=O)C1 ZINC000682540415 566161987 /nfs/dbraw/zinc/16/19/87/566161987.db2.gz TZKCNGVMPSTRLL-NEPJUHHUSA-N 1 0 376.316 2.933 20 0 GFADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3nn(C(C)(C)C)cc3Br)CC[C@H]21 ZINC000612517275 566166193 /nfs/dbraw/zinc/16/61/93/566166193.db2.gz KABBXEAHYJPMJR-TZMCWYRMSA-N 1 0 383.334 2.957 20 0 GFADRO C[NH+](C)CCOCCNC(=O)N1CCC[C@@H]1c1ccccc1Br ZINC000682615009 566166356 /nfs/dbraw/zinc/16/63/56/566166356.db2.gz WTSZVAPMGOMEBZ-MRXNPFEDSA-N 1 0 384.318 2.874 20 0 GFADRO C[NH+](C)CCCNC(=O)N[C@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O ZINC000682696771 566167151 /nfs/dbraw/zinc/16/71/51/566167151.db2.gz LHPLIMHPRHUORT-AWEZNQCLSA-N 1 0 387.311 2.740 20 0 GFADRO C[N@H+](CCCCN1C(=O)N[C@H](c2ccccc2Br)C1=O)C1CC1 ZINC000656818469 566167195 /nfs/dbraw/zinc/16/71/95/566167195.db2.gz VJICPDOXVINQPL-OAHLLOKOSA-N 1 0 380.286 2.916 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@@H]1CN1C(=O)N[C@H](c2ccccc2Br)C1=O ZINC000656821894 566167805 /nfs/dbraw/zinc/16/78/05/566167805.db2.gz MNUISHZEBJWNJQ-BXUZGUMPSA-N 1 0 380.286 2.915 20 0 GFADRO Cc1ncc2c(n1)CC[C@H]([NH2+]C[C@@H](O)COc1cc(Cl)cc(Cl)c1)C2 ZINC000634698964 566170653 /nfs/dbraw/zinc/17/06/53/566170653.db2.gz BVMXPEGJYHXPBF-JKSUJKDBSA-N 1 0 382.291 2.979 20 0 GFADRO C[C@](O)(C[C@@H](O)C[NH2+][C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)C1CC1 ZINC000634709912 566170786 /nfs/dbraw/zinc/17/07/86/566170786.db2.gz PYTNXXQQLLNPOW-QBIMZIAESA-N 1 0 387.307 2.600 20 0 GFADRO C[C@@](O)(C[C@H](O)C[NH2+]Cc1cnn(-c2ccc(Br)cc2)c1)C1CC1 ZINC000634712634 566171665 /nfs/dbraw/zinc/17/16/65/566171665.db2.gz JNDWHBVHSUYEGY-ZWKOTPCHSA-N 1 0 394.313 2.636 20 0 GFADRO C[NH+](C)[C@@H](CNS(=O)(=O)c1ncccc1Br)C1CCCCC1 ZINC000656875146 566171925 /nfs/dbraw/zinc/17/19/25/566171925.db2.gz CIBFHPAOZLRVHO-AWEZNQCLSA-N 1 0 390.347 2.633 20 0 GFADRO CN(CCOc1ccc(Br)cc1)C(=O)NCCC[NH+]1CCCC1 ZINC000682824804 566171989 /nfs/dbraw/zinc/17/19/89/566171989.db2.gz CDIWSMQGPDTEFQ-UHFFFAOYSA-N 1 0 384.318 2.955 20 0 GFADRO Cc1nc(CS(=O)(=O)N(C)[C@H]2CCC[N@H+](Cc3ccccc3)C2)cs1 ZINC000682836832 566172041 /nfs/dbraw/zinc/17/20/41/566172041.db2.gz WWQUYYCTGWXJDH-SFHVURJKSA-N 1 0 379.551 2.878 20 0 GFADRO NC(=O)[C@H]1CC[C@H](C[NH2+]C[C@H](O)COc2cc(Cl)cc(Cl)c2)CC1 ZINC000634717995 566172271 /nfs/dbraw/zinc/17/22/71/566172271.db2.gz UWHPSHXWAVMAMB-HUBLWGQQSA-N 1 0 375.296 2.614 20 0 GFADRO O[C@@H](C[NH2+][C@@H]1CCCn2nccc21)COc1cc(F)cc(Br)c1 ZINC000634730544 566172716 /nfs/dbraw/zinc/17/27/16/566172716.db2.gz KGRYCZLSKKYSBJ-DZGCQCFKSA-N 1 0 384.249 2.649 20 0 GFADRO O[C@H](C[NH2+]CC/C=C\c1ccc(Br)cc1)CC1(O)CCOCC1 ZINC000634722190 566173447 /nfs/dbraw/zinc/17/34/47/566173447.db2.gz LDTVJWQGUOLNMS-MPXGXIRNSA-N 1 0 384.314 2.735 20 0 GFADRO O[C@H](C[NH2+]C[C@H](n1cncn1)C(F)(F)F)COc1cc(Cl)cc(Cl)c1 ZINC000634725665 566173636 /nfs/dbraw/zinc/17/36/36/566173636.db2.gz ADFPXIAEWKKKAG-YPMHNXCESA-N 1 0 399.200 2.718 20 0 GFADRO O[C@@H](C[NH2+]C[C@H](n1cncn1)C(F)(F)F)COc1cc(Cl)cc(Cl)c1 ZINC000634725662 566173769 /nfs/dbraw/zinc/17/37/69/566173769.db2.gz ADFPXIAEWKKKAG-AAEUAGOBSA-N 1 0 399.200 2.718 20 0 GFADRO Cc1cc(F)c(Br)cc1S(=O)(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000682929049 566177259 /nfs/dbraw/zinc/17/72/59/566177259.db2.gz DNLGQTKESSOQKC-GFCCVEGCSA-N 1 0 391.306 2.659 20 0 GFADRO CC(C)[N@H+](C)CC1CCN(S(=O)(=O)c2ncccc2Br)CC1 ZINC000656893648 566177549 /nfs/dbraw/zinc/17/75/49/566177549.db2.gz MWNPUVWHJWMFAZ-UHFFFAOYSA-N 1 0 390.347 2.585 20 0 GFADRO O=C(N[C@H](c1cncc(Br)c1)C1CC1)N[C@H]1CC12CC[NH2+]CC2 ZINC000612988015 566181448 /nfs/dbraw/zinc/18/14/48/566181448.db2.gz BCVSGQASMHEBNZ-GJZGRUSLSA-N 1 0 379.302 2.737 20 0 GFADRO COc1cc(Br)ccc1CCC[NH2+][C@H]1CCCS(=O)(=O)CC1 ZINC000634975597 566186052 /nfs/dbraw/zinc/18/60/52/566186052.db2.gz BXELJSKYFQTTGF-HNNXBMFYSA-N 1 0 390.343 2.947 20 0 GFADRO Cc1ccc(CNC(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)cc1Br ZINC000634967581 566186181 /nfs/dbraw/zinc/18/61/81/566186181.db2.gz RXWFKVRXQXZIQU-MRXNPFEDSA-N 1 0 396.329 2.810 20 0 GFADRO CN1C(=O)N([C@H]2CC[N@H+](CC3CC3)C2)C(=O)[C@@H]1c1cccc(Br)c1 ZINC000683287428 566192365 /nfs/dbraw/zinc/19/23/65/566192365.db2.gz SGIOJGCUVXDIAP-HOTGVXAUSA-N 1 0 392.297 2.869 20 0 GFADRO C[C@@H]1COCC[C@@H]1[NH2+]Cc1nnnn1-c1ccc(Cl)cc1C(F)(F)F ZINC000683372428 566196514 /nfs/dbraw/zinc/19/65/14/566196514.db2.gz GRKBXTQGHFPWJM-SKDRFNHKSA-N 1 0 375.782 2.849 20 0 GFADRO CC1=CC[N@H+](CCNC(=O)[C@@H]2CCO[C@H]2c2cncc(Br)c2)CC1 ZINC000613523647 566200998 /nfs/dbraw/zinc/20/09/98/566200998.db2.gz JHZOPZJDHOELJS-SJORKVTESA-N 1 0 394.313 2.690 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@H](CNS(=O)(=O)c2ccc(F)cc2Br)C1 ZINC000657032685 566209142 /nfs/dbraw/zinc/20/91/42/566209142.db2.gz BNIBVIAGHQAAOB-LLVKDONJSA-N 1 0 393.322 2.987 20 0 GFADRO CN1CCC2(CC[NH+](C[C@H](O)COc3c(Cl)cccc3Cl)CC2)C1=O ZINC000683675161 566209249 /nfs/dbraw/zinc/20/92/49/566209249.db2.gz SVWZROHXSIZYNO-ZDUSSCGKSA-N 1 0 387.307 2.677 20 0 GFADRO COc1cc(OC)c(S(=O)(=O)NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)cc1Cl ZINC000657034160 566209431 /nfs/dbraw/zinc/20/94/31/566209431.db2.gz QIZMVOAQVOMVPB-LBPRGKRZSA-N 1 0 390.933 2.756 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@@H](CNS(=O)(=O)c2cc(F)ccc2Br)C1 ZINC000657035615 566210276 /nfs/dbraw/zinc/21/02/76/566210276.db2.gz ZTWOMIZDRGHKKC-NSHDSACASA-N 1 0 393.322 2.987 20 0 GFADRO C[NH+](C)C[C@@]1(O)CCCN(C(=O)c2cc3cc(Br)ccc3o2)C1 ZINC000683911832 566218543 /nfs/dbraw/zinc/21/85/43/566218543.db2.gz IBGQBQJCMDNOOY-KRWDZBQOSA-N 1 0 381.270 2.724 20 0 GFADRO Nc1c(Cl)c(F)cc(C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)c1Cl ZINC000635685813 566222800 /nfs/dbraw/zinc/22/28/00/566222800.db2.gz QZASVTIPFPWLTI-SNVBAGLBSA-N 1 0 376.259 2.698 20 0 GFADRO C[NH+](C)C[C@@H]1CN(C(=O)c2ncccc2Br)c2ccccc2O1 ZINC000684463476 566236452 /nfs/dbraw/zinc/23/64/52/566236452.db2.gz ZPZKGXNFVZDFAP-GFCCVEGCSA-N 1 0 376.254 2.814 20 0 GFADRO CS(=O)(=O)C1(C[NH2+][C@H](c2ccc(Br)cc2)[C@H]2CCCO2)CC1 ZINC000684557994 566238622 /nfs/dbraw/zinc/23/86/22/566238622.db2.gz SQXJNSUTFOBPKJ-HUUCEWRRSA-N 1 0 388.327 2.836 20 0 GFADRO C[C@]1(c2ccccc2)CCC[N@H+](CC(=O)NCc2cccc(-c3nn[nH]n3)c2)C1 ZINC000736230472 598832906 /nfs/dbraw/zinc/83/29/06/598832906.db2.gz RKJADNHNGFLOKE-QFIPXVFZSA-N 1 0 390.491 2.537 20 0 GFADRO CCOC[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)C1 ZINC000736609311 598872700 /nfs/dbraw/zinc/87/27/00/598872700.db2.gz PQTPQTCEENRGEZ-STQMWFEESA-N 1 0 392.891 2.596 20 0 GFADRO C[C@H](C(=O)N1CCC(Oc2ccc(-c3nn[nH]n3)cc2)CC1)[NH+]1CCCCCC1 ZINC000735519084 598905026 /nfs/dbraw/zinc/90/50/26/598905026.db2.gz ISEXFDPTGXCSQW-MRXNPFEDSA-N 1 0 398.511 2.501 20 0 GFADRO Cc1ccc(-c2nn[nH]n2)cc1NC(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000737294458 598967111 /nfs/dbraw/zinc/96/71/11/598967111.db2.gz PATVNSQHVVSFNE-SFHVURJKSA-N 1 0 391.479 2.961 20 0 GFADRO Cc1cc(=O)oc2cc(OCC[N@@H+](C)Cc3cccc(-c4nn[nH]n4)c3)ccc12 ZINC000737225227 598983090 /nfs/dbraw/zinc/98/30/90/598983090.db2.gz ABIQVRAKKYIXQG-UHFFFAOYSA-N 1 0 391.431 2.792 20 0 GFADRO C[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2F)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000736285983 598988642 /nfs/dbraw/zinc/98/86/42/598988642.db2.gz LJGKVNQQKRWVDN-WBMJQRKESA-N 1 0 390.463 2.741 20 0 GFADRO CC(C)C[C@@H](CNC(=O)c1ccc(-c2nn[nH]n2)nc1)[NH2+][C@H](C)c1ccccc1 ZINC000735773108 599107752 /nfs/dbraw/zinc/10/77/52/599107752.db2.gz WCDJXZAUQKVGFT-QAPCUYQASA-N 1 0 393.495 2.757 20 0 GFADRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)c2sccc2-c2nn[nH]n2)CC1 ZINC000736205451 599162491 /nfs/dbraw/zinc/16/24/91/599162491.db2.gz WHXFFYKWVIJZKQ-CYBMUJFWSA-N 1 0 382.493 2.884 20 0 GFADRO Clc1ccc(C2([NH2+]C[C@H]3CNc4c(-c5nn[nH]n5)cnn4C3)CCCC2)cc1 ZINC000737570924 599176762 /nfs/dbraw/zinc/17/67/62/599176762.db2.gz LWEZOZMJFCULMN-CYBMUJFWSA-N 1 0 398.902 2.817 20 0 GFADRO CCOc1ccc(-c2nn[nH]n2)cc1NC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000736638254 599188554 /nfs/dbraw/zinc/18/85/54/599188554.db2.gz ZAKWVTSSXBOARR-INIZCTEOSA-N 1 0 389.504 2.753 20 0 GFADRO COc1cc(C[N@@H+]2CCCOCC2)ccc1OCc1cccc(-c2nn[nH]n2)c1 ZINC000737045928 599207840 /nfs/dbraw/zinc/20/78/40/599207840.db2.gz UOZNDIKFKLZJIC-UHFFFAOYSA-N 1 0 395.463 2.677 20 0 GFADRO C[C@H](CNC(=O)c1c(Cl)cc(-c2nn[nH]n2)cc1Cl)C[NH+]1CCCC1 ZINC000824420080 607834050 /nfs/dbraw/zinc/83/40/50/607834050.db2.gz FPXYMOVCSLERJB-SNVBAGLBSA-N 1 0 383.283 2.635 20 0 GFADRO COc1ccc(C[NH+](C)C)cc1NC(=O)N[C@H](C)c1cccc(-c2nn[nH]n2)c1 ZINC000821794359 599252958 /nfs/dbraw/zinc/25/29/58/599252958.db2.gz FNXONESSFOOCEZ-CYBMUJFWSA-N 1 0 395.467 2.820 20 0 GFADRO Cc1c(NC(=O)N(CC[NH+](C)C)Cc2ccccc2)cccc1-c1nn[nH]n1 ZINC000822084309 607287405 /nfs/dbraw/zinc/28/74/05/607287405.db2.gz IJAGYVYEKPUNCI-UHFFFAOYSA-N 1 0 379.468 2.771 20 0 GFADRO COc1cccc([C@@H](CNC(=O)Nc2cccc(-c3nn[nH]n3)c2C)[NH+](C)C)c1 ZINC000821859377 607288961 /nfs/dbraw/zinc/28/89/61/607288961.db2.gz NPKJAMHKIIXVKB-GOSISDBHSA-N 1 0 395.467 2.608 20 0 GFADRO CCOc1ccc(-c2nn[nH]n2)cc1NC(=O)NCCC1CC[NH+](CC)CC1 ZINC000821412660 599265748 /nfs/dbraw/zinc/26/57/48/599265748.db2.gz QVWUPEAIBDDGBC-UHFFFAOYSA-N 1 0 387.488 2.509 20 0 GFADRO COc1ccc(C[N@@H+]2CCCN(c3ccc(-c4nn[nH]n4)cc3F)CC2)cc1 ZINC000737091043 598235857 /nfs/dbraw/zinc/23/58/57/598235857.db2.gz OSUHGEAPLGARJQ-UHFFFAOYSA-N 1 0 382.443 2.727 20 0 GFADRO Fc1cc2cccnc2c(C[NH+]2CCN(c3ccccc3-c3nn[nH]n3)CC2)c1 ZINC000737644813 598251865 /nfs/dbraw/zinc/25/18/65/598251865.db2.gz MXWSQRHBVRVZTO-UHFFFAOYSA-N 1 0 389.438 2.876 20 0 GFADRO COc1c(C)cc(C[N@H+](C)CCC(=O)Nc2cccc(-c3nn[nH]n3)c2)cc1C ZINC000737023341 598258157 /nfs/dbraw/zinc/25/81/57/598258157.db2.gz LNXRHQRECBEZHY-UHFFFAOYSA-N 1 0 394.479 2.953 20 0 GFADRO CC[N@H+](CCNc1cc(C)c(-c2nn[nH]n2)c2nc3ccccc3n21)C1CC1 ZINC000736537061 598298708 /nfs/dbraw/zinc/29/87/08/598298708.db2.gz PZAUUHNLNHJSDD-UHFFFAOYSA-N 1 0 376.468 2.872 20 0 GFADRO Cc1cc(C)n([C@H]2CCC[N@H+](Cc3cn4ccccc4c3-c3nn[nH]n3)C2)n1 ZINC000737258183 598367864 /nfs/dbraw/zinc/36/78/64/598367864.db2.gz YXYSPZQPJVQHEL-KRWDZBQOSA-N 1 0 376.468 2.770 20 0 GFADRO C[N@@H+]1CCC[C@@H](NC(=O)c2ccc(Oc3cccc(F)c3-c3nn[nH]n3)cc2)C1 ZINC000736859427 598401848 /nfs/dbraw/zinc/40/18/48/598401848.db2.gz ZKRNXACAFFEGTR-CQSZACIVSA-N 1 0 396.426 2.622 20 0 GFADRO CCC[N@H+](C)CC(=O)Nc1ccc(OCc2cccc(-c3nn[nH]n3)c2)c(F)c1 ZINC000736472806 598408808 /nfs/dbraw/zinc/40/88/08/598408808.db2.gz SPMABKDMFPKIOG-UHFFFAOYSA-N 1 0 398.442 2.865 20 0 GFADRO Fc1ccc(Cl)c2c1ncc(-c1nn[nH]n1)c2N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000737661592 598421234 /nfs/dbraw/zinc/42/12/34/598421234.db2.gz ZIRTUTXEMZZIOQ-LLVKDONJSA-N 1 0 387.850 2.882 20 0 GFADRO COc1ccccc1/C=C\C[NH2+]C1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1 ZINC000737149163 598466457 /nfs/dbraw/zinc/46/64/57/598466457.db2.gz WZIDYEJAPJGOPI-XQRVVYSFSA-N 1 0 391.479 2.542 20 0 GFADRO CN(C)c1ccccc1C[NH2+]C1CCN(c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736781037 598466711 /nfs/dbraw/zinc/46/67/11/598466711.db2.gz VIOZEOKSURTSNY-UHFFFAOYSA-N 1 0 377.496 2.691 20 0 GFADRO C[C@@H](CNC(=O)N(Cc1ccc(-c2nn[nH]n2)cc1)C1CC1)[N@@H+]1CCCC[C@H]1C ZINC000736269903 598477628 /nfs/dbraw/zinc/47/76/28/598477628.db2.gz ZDLPTHMUUHWMOV-CVEARBPZSA-N 1 0 397.527 2.804 20 0 GFADRO C[NH+](C)[C@@H]1CCCN(C(=O)c2ccccc2-c2ccccc2-c2nn[nH]n2)C1 ZINC000736756820 598510773 /nfs/dbraw/zinc/51/07/73/598510773.db2.gz MNFFZMCLLNIRKT-OAHLLOKOSA-N 1 0 376.464 2.700 20 0 GFADRO CC(C)[C@@H]([NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1ccc(Cl)cc1 ZINC000735732510 598519518 /nfs/dbraw/zinc/51/95/18/598519518.db2.gz AJEBFZLJAGLDIR-MLGOLLRUSA-N 1 0 386.891 2.745 20 0 GFADRO CCC(CC)[C@H]([NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1ccccc1 ZINC000736338613 598524621 /nfs/dbraw/zinc/52/46/21/598524621.db2.gz YYORELRRMQUASA-KDOFPFPSSA-N 1 0 380.500 2.872 20 0 GFADRO CC[NH+](CC)[C@H](CNC(=O)[C@@H](C)Oc1ccccc1-c1nn[nH]n1)CC(C)C ZINC000736532309 598557706 /nfs/dbraw/zinc/55/77/06/598557706.db2.gz ANTQUAQYNKTGQJ-CVEARBPZSA-N 1 0 388.516 2.507 20 0 GFADRO C[N@@H+]1CCC[C@@H]1CNC(=O)Nc1ccc(Oc2cccc(-c3nn[nH]n3)c2)cc1 ZINC000736860368 598565871 /nfs/dbraw/zinc/56/58/71/598565871.db2.gz NZJLEFDELQBBQJ-MRXNPFEDSA-N 1 0 393.451 2.875 20 0 GFADRO Clc1cccc(C[N@@H+]2CCCC[C@@H]2CNc2nccnc2-c2nn[nH]n2)c1 ZINC000737576580 598594017 /nfs/dbraw/zinc/59/40/17/598594017.db2.gz ZEVRMNATBXENSU-OAHLLOKOSA-N 1 0 384.875 2.777 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)Nc1ccc(F)c(-c2nn[nH]n2)c1 ZINC000736269486 598630591 /nfs/dbraw/zinc/63/05/91/598630591.db2.gz XCIROHFVCLEPIQ-CYBMUJFWSA-N 1 0 375.452 2.782 20 0 GFADRO CC[NH+]1CCN(c2ccc(CNc3ccc(-c4nn[nH]n4)c(Cl)c3)cn2)CC1 ZINC000736569298 598652596 /nfs/dbraw/zinc/65/25/96/598652596.db2.gz RIICDAMZFFZADB-UHFFFAOYSA-N 1 0 398.902 2.669 20 0 GFADRO CC(C)(C)CC[NH+]1CCN(C(=O)CSc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000735601941 598665403 /nfs/dbraw/zinc/66/54/03/598665403.db2.gz HHFVZSBCFLKHOB-UHFFFAOYSA-N 1 0 388.541 2.539 20 0 GFADRO C[C@H](CNC(=O)C=Cc1ccccc1-c1nn[nH]n1)[N@H+](C)Cc1ccccc1 ZINC000736008121 598666011 /nfs/dbraw/zinc/66/60/11/598666011.db2.gz GSCCPGQBPBHASQ-CJTWTEFWSA-N 1 0 376.464 2.517 20 0 GFADRO Cc1nnc(NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c(-c2nn[nH]n2)c1C ZINC000737519952 598677275 /nfs/dbraw/zinc/67/72/75/598677275.db2.gz FUVUJZKAOJVINJ-AYHJJNSGSA-N 1 0 390.495 2.881 20 0 GFADRO CC(C)(C)OC(=O)NC[C@@H]1CCC[N@H+](Cc2ccc(F)cc2-c2nn[nH]n2)C1 ZINC000735636500 598681490 /nfs/dbraw/zinc/68/14/90/598681490.db2.gz XFKHBLQLXUWHAD-ZDUSSCGKSA-N 1 0 390.463 2.743 20 0 GFADRO O=C(Nc1ccc(F)cc1)N[C@H]1CC[N@H+](Cc2ccc(F)cc2-c2nn[nH]n2)C1 ZINC000738166808 598684522 /nfs/dbraw/zinc/68/45/22/598684522.db2.gz WSSVPIMHDGNYAR-INIZCTEOSA-N 1 0 399.405 2.541 20 0 GFADRO Brc1ccc(N2CC[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)cc1 ZINC000735367950 598697564 /nfs/dbraw/zinc/69/75/64/598697564.db2.gz BYCYSVPMDJJHMG-INIZCTEOSA-N 1 0 399.296 2.998 20 0 GFADRO C[NH+](C)CCCOc1ccc(CNC(=O)Nc2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000736768041 598699030 /nfs/dbraw/zinc/69/90/30/598699030.db2.gz WDXVITAQNFRPKU-UHFFFAOYSA-N 1 0 395.467 2.519 20 0 GFADRO CC[NH+]1CCC(NC(=O)c2cccc(Oc3ccc(-c4nn[nH]n4)cc3)c2)CC1 ZINC000736568441 598699070 /nfs/dbraw/zinc/69/90/70/598699070.db2.gz BSWSPBMTSJDDCD-UHFFFAOYSA-N 1 0 392.463 2.873 20 0 GFADRO Cc1cccc(CN(CC[NH+](C)C)C(=O)Nc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000737394186 598699523 /nfs/dbraw/zinc/69/95/23/598699523.db2.gz PLBDDGYVSQYOTJ-UHFFFAOYSA-N 1 0 379.468 2.771 20 0 GFADRO Cc1nc2c(s1)[C@@H]([N@H+](C)CCC(=O)Nc1ccccc1-c1nn[nH]n1)CCC2 ZINC000737489516 598708227 /nfs/dbraw/zinc/70/82/27/598708227.db2.gz YMKRMMYOTXQTPP-INIZCTEOSA-N 1 0 397.508 2.970 20 0 GFADRO C[C@@H](NC(=O)NCCCCC[NH+]1CCCCC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000736120418 598715001 /nfs/dbraw/zinc/71/50/01/598715001.db2.gz ZMAXLSAJOCAAOK-MRXNPFEDSA-N 1 0 385.516 2.883 20 0 GFADRO CC[NH+](CC)C[C@H](C)NC(=O)c1ccc(Oc2ccc(-c3nn[nH]n3)cn2)cc1 ZINC000736534472 598719833 /nfs/dbraw/zinc/71/98/33/598719833.db2.gz OZDNLSFLSUVCIP-AWEZNQCLSA-N 1 0 395.467 2.514 20 0 GFADRO NC(=O)C[C@@H]1CCCC[N@@H+]1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000737748954 598761767 /nfs/dbraw/zinc/76/17/67/598761767.db2.gz UDITWRQOSHRSSF-KRWDZBQOSA-N 1 0 376.464 2.764 20 0 GFADRO C[C@H]1c2ccccc2OCC[N@H+]1CCC(=O)Nc1ccccc1-c1nn[nH]n1 ZINC000736303502 598763366 /nfs/dbraw/zinc/76/33/66/598763366.db2.gz KOFPBLXGVRMEGC-AWEZNQCLSA-N 1 0 378.436 2.651 20 0 GFADRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(CCC(=O)Nc2ccccc2-c2nn[nH]n2)C1 ZINC000736238434 598810210 /nfs/dbraw/zinc/81/02/10/598810210.db2.gz VETDHJFTAPPYEK-IXDOHACOSA-N 1 0 397.527 2.533 20 0 GFADRO O[C@H](C[NH2+]C1(c2ccc(F)cc2)CCCC1)COc1ccc(-c2nn[nH]n2)cc1 ZINC000738382568 598812046 /nfs/dbraw/zinc/81/20/46/598812046.db2.gz RWKAARQGRQPMJO-GOSISDBHSA-N 1 0 397.454 2.805 20 0 GFADRO C[C@H]1CN(C(=O)c2ccccc2-c2ccccc2-c2nn[nH]n2)C[C@H]1[NH+](C)C ZINC000736293323 599296076 /nfs/dbraw/zinc/29/60/76/599296076.db2.gz TVHDENVHJSTWAV-IFXJQAMLSA-N 1 0 376.464 2.556 20 0 GFADRO CC[C@@H]([NH2+]CCC(=O)Nc1cccc(-c2nn[nH]n2)c1)c1ccccc1OC ZINC000820925762 599303433 /nfs/dbraw/zinc/30/34/33/599303433.db2.gz LOMTULFLIUIEOW-QGZVFWFLSA-N 1 0 380.452 2.945 20 0 GFADRO C[C@@H](c1ccc(-c2nn[nH]n2)cc1)[NH+]1CCC(NC(=O)c2ccc(F)cc2)CC1 ZINC000736198258 599309337 /nfs/dbraw/zinc/30/93/37/599309337.db2.gz RRXXELDTPWTZMB-AWEZNQCLSA-N 1 0 394.454 2.961 20 0 GFADRO FC(F)(F)c1cc([C@H]2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C2)[nH]n1 ZINC000737632833 599315704 /nfs/dbraw/zinc/31/57/04/599315704.db2.gz NIPHWROGNXOYRF-ZDUSSCGKSA-N 1 0 377.374 2.988 20 0 GFADRO CN(C)c1cccc([C@H]2CCC[N@@H+]2CC(=O)Nc2cccc(-c3nn[nH]n3)c2)c1 ZINC000736778210 599357797 /nfs/dbraw/zinc/35/77/97/599357797.db2.gz DGBKPRTZQINMGX-LJQANCHMSA-N 1 0 391.479 2.708 20 0 GFADRO C[C@@H]([NH2+][C@@H](C)C(=O)NC12CC3CC(CC(C3)C1)C2)c1cccc(-c2nn[nH]n2)c1 ZINC000820413631 599388751 /nfs/dbraw/zinc/38/87/51/599388751.db2.gz SUOLTTBLDGFRNL-ANENZZMSSA-N 1 0 394.523 2.991 20 0 GFADRO Cc1nn(C)c2nc(Cl)c(C[NH2+][C@H](C)c3cccc(-c4nn[nH]n4)c3)cc12 ZINC000822496275 599397633 /nfs/dbraw/zinc/39/76/33/599397633.db2.gz HKTNKLLFDGXACE-SNVBAGLBSA-N 1 0 382.859 2.961 20 0 GFADRO COc1ccc(C[NH2+]Cc2csc(Br)c2)cc1-c1nn[nH]n1 ZINC000821818505 599404369 /nfs/dbraw/zinc/40/43/69/599404369.db2.gz UDCPKGKSFVJCOO-UHFFFAOYSA-N 1 0 380.271 2.989 20 0 GFADRO COc1ccc(C[NH2+]Cc2cc(Br)cs2)cc1-c1nn[nH]n1 ZINC000821813225 599406700 /nfs/dbraw/zinc/40/67/00/599406700.db2.gz AJKVKPYNYOTSKN-UHFFFAOYSA-N 1 0 380.271 2.989 20 0 GFADRO COc1ccc(C[NH2+][C@H](C)CCc2ccc3c(c2)OCO3)cc1-c1nn[nH]n1 ZINC000821798577 599420041 /nfs/dbraw/zinc/42/00/41/599420041.db2.gz GFTXIQKLZROKDK-CYBMUJFWSA-N 1 0 381.436 2.715 20 0 GFADRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@@H](C)c1cccc(-c2nn[nH]n2)c1 ZINC000821066189 599438944 /nfs/dbraw/zinc/43/89/44/599438944.db2.gz RMHZGOJHEHVAJB-MAUKXSAKSA-N 1 0 385.516 2.882 20 0 GFADRO COc1ccc(C[NH2+]C2(c3ccc(F)cc3)CCOCC2)cc1-c1nn[nH]n1 ZINC000821805933 599439644 /nfs/dbraw/zinc/43/96/44/599439644.db2.gz YHELZMHXKRLBRV-UHFFFAOYSA-N 1 0 383.427 2.810 20 0 GFADRO C[C@H]([NH2+]Cc1cccc(OCc2cccc(-c3nn[nH]n3)c2)c1)[C@@H]1CCOC1 ZINC000820438426 599449192 /nfs/dbraw/zinc/44/91/92/599449192.db2.gz PGJPLBOJCQVWBL-HNAYVOBHSA-N 1 0 379.464 2.960 20 0 GFADRO CC(C)(C)OC(=O)N1CCC[C@@H](C[NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC000819933013 599455440 /nfs/dbraw/zinc/45/54/40/599455440.db2.gz BSULOTFEHWCLKD-ZDUSSCGKSA-N 1 0 390.463 2.743 20 0 GFADRO CCCOc1ccc2c(c1)CC[N@@H+](C[C@@H](O)c1ccc(-c3nn[nH]n3)cc1)C2 ZINC000821133664 607380264 /nfs/dbraw/zinc/38/02/64/607380264.db2.gz CMKNYFATKCLLNY-HXUWFJFHSA-N 1 0 379.464 2.747 20 0 GFADRO O[C@@H](COc1ccc(-c2nn[nH]n2)cc1)C[N@@H+]1CCCCC[C@H]1c1ccco1 ZINC000738384952 599479797 /nfs/dbraw/zinc/47/97/97/599479797.db2.gz GWGHEDCVBTYAOQ-AEFFLSMTSA-N 1 0 383.452 2.817 20 0 GFADRO CCCC(=O)Nc1ccc(C[NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)cc1 ZINC000736418063 599484265 /nfs/dbraw/zinc/48/42/65/599484265.db2.gz YQUWWTPFZFYBDZ-UHFFFAOYSA-N 1 0 390.451 2.543 20 0 GFADRO CC[C@H]([NH2+]Cc1cnc2ccc(-c3nn[nH]n3)cn12)c1ccc2c(c1)OCCO2 ZINC000736369359 599486917 /nfs/dbraw/zinc/48/69/17/599486917.db2.gz LCRPXHPUGRFGLB-INIZCTEOSA-N 1 0 391.435 2.527 20 0 GFADRO C[N@H+](CCNc1c(-c2nn[nH]n2)cnc2c(F)ccc(F)c21)Cc1ccccc1 ZINC000821602790 599489683 /nfs/dbraw/zinc/48/96/83/599489683.db2.gz VCXCTEAAGXAITD-UHFFFAOYSA-N 1 0 395.417 2.659 20 0 GFADRO c1nc2ccc(-c3nn[nH]n3)cn2c1CNC[C@@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000738421724 599491659 /nfs/dbraw/zinc/49/16/59/599491659.db2.gz UMUCOUDRMBEHEH-SFHVURJKSA-N 1 0 394.527 2.649 20 0 GFADRO C[C@@H]1CN(c2cc(Cl)ccc2-c2nn[nH]n2)CC[N@@H+]1C[C@@H](O)c1ccccc1 ZINC000820769785 599531144 /nfs/dbraw/zinc/53/11/44/599531144.db2.gz WQLMMTQUUMHJMY-AUUYWEPGSA-N 1 0 398.898 2.764 20 0 GFADRO C[C@H]1CCC[C@H](C)[NH+]1CCNc1c(-c2nn[nH]n2)cnc2c(F)ccc(F)c21 ZINC000820699239 599543984 /nfs/dbraw/zinc/54/39/84/599543984.db2.gz YLDWWXXIHNAKQX-RYUDHWBXSA-N 1 0 387.438 2.790 20 0 GFADRO C[C@H](CC[NH+](C)C)NC(=O)c1cccc(Nc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000735986343 599568862 /nfs/dbraw/zinc/56/88/62/599568862.db2.gz MZSDNPGKWGRHMT-CQSZACIVSA-N 1 0 379.468 2.680 20 0 GFADRO C[C@H](C[NH+]1CCN(c2ccccc2)CC1)Nc1cccc(F)c1-c1nn[nH]n1 ZINC000820262045 599575552 /nfs/dbraw/zinc/57/55/52/599575552.db2.gz QYQVYNMOVLBTLT-OAHLLOKOSA-N 1 0 381.459 2.628 20 0 GFADRO CC[N@@H+](Cc1cn2ccccc2c1-c1nn[nH]n1)C[C@H](O)c1ccc(C)cc1 ZINC000821230719 599590486 /nfs/dbraw/zinc/59/04/86/599590486.db2.gz OKJICBNYNUIJHI-IBGZPJMESA-N 1 0 376.464 2.983 20 0 GFADRO C[C@@H]1c2ccc(F)cc2CC[N@H+]1CCC(=O)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000736302305 599590870 /nfs/dbraw/zinc/59/08/70/599590870.db2.gz GHTGKYOZGSSHRE-CYBMUJFWSA-N 1 0 380.427 2.954 20 0 GFADRO C[C@H]1CSCC[N@@H+]1CCC(=O)Nc1sc2c(c1-c1nn[nH]n1)CCCC2 ZINC000736291482 599590956 /nfs/dbraw/zinc/59/09/56/599590956.db2.gz AUVPUVCNMCSVIZ-NSHDSACASA-N 1 0 392.554 2.573 20 0 GFADRO O=C(CC[N@H+]1CCC[C@H]1c1ccc(O)cc1)Nc1cccc(-c2nn[nH]n2)c1 ZINC000822964567 599637101 /nfs/dbraw/zinc/63/71/01/599637101.db2.gz JVWYIPOVJUDUCR-SFHVURJKSA-N 1 0 378.436 2.738 20 0 GFADRO Cc1nc(C)c([C@@H](C)[N@H+](C)CCC(=O)Nc2cccc(-c3nn[nH]n3)c2)s1 ZINC000822427434 599637657 /nfs/dbraw/zinc/63/76/57/599637657.db2.gz NVWFMCFRYVKHDP-GFCCVEGCSA-N 1 0 385.497 2.962 20 0 GFADRO CO[C@]1(C)C[C@@H]([NH2+][C@@H](C)C(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)C1(C)C ZINC000821679187 599664926 /nfs/dbraw/zinc/66/49/26/599664926.db2.gz YGNKQLFJYZLDTG-DGVXXNCNSA-N 1 0 392.891 2.640 20 0 GFADRO CC(C)Oc1ccc(NC(=O)NCC[NH+]2CCC(C)CC2)cc1-c1nn[nH]n1 ZINC000820723239 607429734 /nfs/dbraw/zinc/42/97/34/607429734.db2.gz YDIRENYAATVBEN-UHFFFAOYSA-N 1 0 387.488 2.507 20 0 GFADRO CC(C)Oc1ccc(NC(=O)NC2CC[NH+](CC3CC3)CC2)cc1-c1nn[nH]n1 ZINC000820164147 607431835 /nfs/dbraw/zinc/43/18/35/607431835.db2.gz FKQNFRVXCMGNHW-UHFFFAOYSA-N 1 0 399.499 2.650 20 0 GFADRO C[C@H]1CCC[N@H+](CCCCNC(=O)NC2(c3cccc(-c4nn[nH]n4)c3)CC2)C1 ZINC000824947655 607449609 /nfs/dbraw/zinc/44/96/09/607449609.db2.gz PRDBHQCYJMPHOJ-INIZCTEOSA-N 1 0 397.527 2.667 20 0 GFADRO C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1F ZINC000824892269 607474156 /nfs/dbraw/zinc/47/41/56/607474156.db2.gz GEDZXZQZBWXBOV-SWLSCSKDSA-N 1 0 390.463 2.883 20 0 GFADRO O[C@@H](C[C@@H]1CCC[N@@H+]1CCOc1ccc(-c2nn[nH]n2)cc1)c1ccc(F)cc1 ZINC000826502695 607476645 /nfs/dbraw/zinc/47/66/45/607476645.db2.gz IYTXCSCCYCWDAE-ICSRJNTNSA-N 1 0 397.454 2.973 20 0 GFADRO O[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)c1cccc(C(F)(F)F)c1 ZINC000823683068 607481365 /nfs/dbraw/zinc/48/13/65/607481365.db2.gz XVJFDKYKWRHSPI-OAHLLOKOSA-N 1 0 381.333 2.848 20 0 GFADRO CC[N@@H+](Cc1ccc(OC)c(-c2nn[nH]n2)c1)C[C@@H]1COc2ccccc2O1 ZINC000825435459 607479313 /nfs/dbraw/zinc/47/93/13/607479313.db2.gz ZADOZBJXONZQQG-OAHLLOKOSA-N 1 0 381.436 2.537 20 0 GFADRO C[NH+](C)CCOc1ccccc1N1CC[NH+](Cc2ccc(C(=O)[O-])cc2)CC1 ZINC000263570270 601011543 /nfs/dbraw/zinc/01/15/43/601011543.db2.gz IAARFSHJENXJLL-UHFFFAOYSA-N 1 0 383.492 2.647 20 0 GFADRO OCC1CC[NH+](Cc2cccc(NCc3ccc(-c4nn[nH]n4)cc3F)c2)CC1 ZINC000823713306 607488154 /nfs/dbraw/zinc/48/81/54/607488154.db2.gz GIFJBNRADPCSEV-UHFFFAOYSA-N 1 0 396.470 2.822 20 0 GFADRO C[N@H+](CCCc1cc(-c2ccc(F)cc2)n[nH]1)Cc1ccnc(-c2nn[nH]n2)c1 ZINC000825923442 607492984 /nfs/dbraw/zinc/49/29/84/607492984.db2.gz HVFYHZOUWXFSFT-UHFFFAOYSA-N 1 0 392.442 2.856 20 0 GFADRO COc1ccc(C[N@H+](C)[C@H]2CCCN(c3ccccc3)C2=O)cc1-c1nn[nH]n1 ZINC000826192462 607500835 /nfs/dbraw/zinc/50/08/35/607500835.db2.gz ONEWYWUCLLEGPE-SFHVURJKSA-N 1 0 392.463 2.503 20 0 GFADRO COc1ccc(C[N@@H+]2CC[C@@H](CNc3cccc(C)n3)C2)cc1-c1nn[nH]n1 ZINC000826194833 607504241 /nfs/dbraw/zinc/50/42/41/607504241.db2.gz XPQCRXKGDABGNZ-INIZCTEOSA-N 1 0 379.468 2.513 20 0 GFADRO c1cc(C[N@@H+]2CCC[C@H](c3nc4c(s3)CCCC4)C2)cc(-c2nn[nH]n2)n1 ZINC000826516004 607518188 /nfs/dbraw/zinc/51/81/88/607518188.db2.gz UDAACDDZRFHPCE-AWEZNQCLSA-N 1 0 381.509 2.977 20 0 GFADRO COc1ccc(C[NH2+]Cc2c[nH]nc2-c2ccc(C)cc2)cc1-c1nn[nH]n1 ZINC000826202631 607568019 /nfs/dbraw/zinc/56/80/19/607568019.db2.gz GSBQIHANSTXKAK-UHFFFAOYSA-N 1 0 375.436 2.864 20 0 GFADRO Cc1cc(-c2nn[nH]n2)ccc1C(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000826245429 607689794 /nfs/dbraw/zinc/68/97/94/607689794.db2.gz XQUFMJUFJXNUFY-SJORKVTESA-N 1 0 382.512 2.902 20 0 GFADRO Cc1cc(-c2nn[nH]n2)ccc1C(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000826243326 607698389 /nfs/dbraw/zinc/69/83/89/607698389.db2.gz DAMIXROKZKETDD-SFHVURJKSA-N 1 0 390.491 2.769 20 0 GFADRO COc1ccc(C[NH2+]C2CCN([C@H](C)c3ccncc3)CC2)cc1-c1nn[nH]n1 ZINC000826202681 607706931 /nfs/dbraw/zinc/70/69/31/607706931.db2.gz ILIJKRAHEYUYBU-OAHLLOKOSA-N 1 0 393.495 2.586 20 0 GFADRO Cc1cc(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)cc(C)c1OCC(=O)[O-] ZINC000832882393 604685023 /nfs/dbraw/zinc/68/50/23/604685023.db2.gz FXFMTSFSSWVIFC-WOJBJXKFSA-N 1 0 390.524 2.624 20 0 GFADRO CN1CC[C@H]([NH2+]C2CC[NH+](CCCC(=O)[O-])CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000833698510 605227976 /nfs/dbraw/zinc/22/79/76/605227976.db2.gz PVIFNGGFQMOZFQ-AZUAARDMSA-N 1 0 381.467 2.629 20 0 GFADRO CCOC(=O)CC[C@H]1CCC[N@H+](CCCOc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000825508561 607748233 /nfs/dbraw/zinc/74/82/33/607748233.db2.gz ZXQHXJFORLRFCF-MRXNPFEDSA-N 1 0 387.484 2.691 20 0 GFADRO O=C(Cc1cccc(-c2nn[nH]n2)c1)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000826423084 607767540 /nfs/dbraw/zinc/76/75/40/607767540.db2.gz XYZMNPUCGTZXOE-UHFFFAOYSA-N 1 0 382.512 2.524 20 0 GFADRO O=C([O-])N[C@@H]1C[C@@H]([NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)c2ccccc21 ZINC000834157103 605915612 /nfs/dbraw/zinc/91/56/12/605915612.db2.gz FYOVSHZCYVFUCM-DUXKGJEZSA-N 1 0 381.476 2.797 20 0 GFADRO c1ccc(C[NH+]2CCC(OCCCNc3ccc(-c4nn[nH]n4)nc3)CC2)cc1 ZINC000823779356 606099861 /nfs/dbraw/zinc/09/98/61/606099861.db2.gz BAVXVHZMSIXBNS-UHFFFAOYSA-N 1 0 393.495 2.745 20 0 GFADRO Fc1ccc(-c2nn[nH]n2)cc1C[NH+]1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000822758346 606117527 /nfs/dbraw/zinc/11/75/27/606117527.db2.gz MNKMMFVDNZVGCP-KRWDZBQOSA-N 1 0 375.448 2.556 20 0 GFADRO CCC[N@H+](C)C[C@H]1CCN(C(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)C1 ZINC000821087447 606132005 /nfs/dbraw/zinc/13/20/05/606132005.db2.gz BHDAQPIXUWAICR-GFCCVEGCSA-N 1 0 377.880 2.716 20 0 GFADRO c1ccc(C[N@@H+]2CCC[C@]3(CCN(c4ccc(-c5nn[nH]n5)cn4)C3)C2)cc1 ZINC000823780076 606142028 /nfs/dbraw/zinc/14/20/28/606142028.db2.gz NNNAUKHUVLMWSX-NRFANRHFSA-N 1 0 375.480 2.754 20 0 GFADRO C[N@H+](Cc1ccc(-c2nn[nH]n2)cc1F)CC(C)(C)CNC(=O)OC(C)(C)C ZINC000821609647 606160445 /nfs/dbraw/zinc/16/04/45/606160445.db2.gz GDAFDSTUVQETCC-UHFFFAOYSA-N 1 0 392.479 2.989 20 0 GFADRO C[NH+](C)Cc1ccc(-c2noc(CCc3ccc(-c4nn[nH]n4)cc3)n2)cc1 ZINC000821587143 606182643 /nfs/dbraw/zinc/18/26/43/606182643.db2.gz ISZJUTQPLMPRAY-UHFFFAOYSA-N 1 0 375.436 2.764 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)Cc2ccc(-c3nn[nH]n3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000820657997 606187004 /nfs/dbraw/zinc/18/70/04/606187004.db2.gz NXIRYKBPTKVSRM-OXQOHEQNSA-N 1 0 390.491 2.579 20 0 GFADRO C[C@H]([NH2+]C1(CNCc2cc(-c3nn[nH]n3)cs2)CCOCC1)c1ccccc1 ZINC000820412704 606221287 /nfs/dbraw/zinc/22/12/87/606221287.db2.gz MOGAPIRIHRXZKB-HNNXBMFYSA-N 1 0 398.536 2.918 20 0 GFADRO C[C@@H]([NH2+][C@H]1CCN(c2sccc2-c2nn[nH]n2)C1=O)c1ccc(F)c(F)c1 ZINC000820420454 606297857 /nfs/dbraw/zinc/29/78/57/606297857.db2.gz RHPVYSVAPLXMRY-OTYXRUKQSA-N 1 0 390.419 2.663 20 0 GFADRO COC(=O)c1cc2c(o1)c(OC)ccc2C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC000821668900 606409182 /nfs/dbraw/zinc/40/91/82/606409182.db2.gz OIQOPYSHBSXAPW-UHFFFAOYSA-N 1 0 393.403 2.698 20 0 GFADRO Cc1cc([C@@H](C)[NH2+][C@@H]2CCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)ccc1F ZINC000822191725 606416401 /nfs/dbraw/zinc/41/64/01/606416401.db2.gz PHTVFXJNFOQUCX-FZKQIMNGSA-N 1 0 380.427 2.770 20 0 GFADRO CC[NH+]1CCN(Cc2ccccc2CNc2ccc(F)cc2-c2nn[nH]n2)CC1 ZINC000821277760 606453788 /nfs/dbraw/zinc/45/37/88/606453788.db2.gz XJTGYDVXZDJVDZ-UHFFFAOYSA-N 1 0 395.486 2.755 20 0 GFADRO C[N@@H+]1CCC[C@H]1[C@H]1CCCN1Cc1ccc(-c2nn[nH]n2)cc1OC(F)F ZINC000821625667 606488824 /nfs/dbraw/zinc/48/88/24/606488824.db2.gz TTZLSXPTRRLPEK-LSDHHAIUSA-N 1 0 378.427 2.527 20 0 GFADRO CC[NH+](CC)CCN(Cc1ccccc1)C(=O)c1cc(-c2nn[nH]n2)cs1 ZINC000821189169 606510458 /nfs/dbraw/zinc/51/04/58/606510458.db2.gz IQNQGGMAHQQSHX-UHFFFAOYSA-N 1 0 384.509 2.912 20 0 GFADRO FC(F)Oc1cc(-c2nn[nH]n2)ccc1C[N@@H+]1CCC[C@@]2(CCCOC2)C1 ZINC000822731930 606511399 /nfs/dbraw/zinc/51/13/99/606511399.db2.gz FHQGXKAADOGOFK-GOSISDBHSA-N 1 0 379.411 2.861 20 0 GFADRO C[N@@H+]1CCC[C@@H](CNC(=O)c2cc(-c3nn[nH]n3)cs2)[C@H]1c1cccs1 ZINC000821623588 606517787 /nfs/dbraw/zinc/51/77/87/606517787.db2.gz NTWXOIKYQRWJIJ-NHYWBVRUSA-N 1 0 388.522 2.803 20 0 GFADRO Cc1ccc([C@H](CNC(=O)Cc2cccc(-c3nn[nH]n3)c2)[NH+]2CCCC2)cc1 ZINC000822230451 606539731 /nfs/dbraw/zinc/53/97/31/606539731.db2.gz GXBFFRBIFOIURU-FQEVSTJZSA-N 1 0 390.491 2.671 20 0 GFADRO CN(C(=O)c1ccc(-c2nn[nH]n2)s1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000821573094 606561795 /nfs/dbraw/zinc/56/17/95/606561795.db2.gz AIURHODZHOZFNI-UHFFFAOYSA-N 1 0 382.493 2.665 20 0 GFADRO CC(C)N(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000820116313 606603061 /nfs/dbraw/zinc/60/30/61/606603061.db2.gz HAJOEIFNXPTUHR-QZTJIDSGSA-N 1 0 385.516 2.660 20 0 GFADRO CC(C)N(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000820116315 606603293 /nfs/dbraw/zinc/60/32/93/606603293.db2.gz HAJOEIFNXPTUHR-ZWKOTPCHSA-N 1 0 385.516 2.660 20 0 GFADRO CC[C@H](C[NH2+]Cc1cnc2ccc(-c3nn[nH]n3)cn12)Oc1ccccc1C ZINC000820907787 606619942 /nfs/dbraw/zinc/61/99/42/606619942.db2.gz HBSPUXLHNFKWDP-QGZVFWFLSA-N 1 0 377.452 2.770 20 0 GFADRO CCOc1ccc(-c2nn[nH]n2)cc1NC(=O)N(C)[C@@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000821407283 606642095 /nfs/dbraw/zinc/64/20/95/606642095.db2.gz QSEZGXOKOQAFLF-DZGCQCFKSA-N 1 0 387.488 2.602 20 0 GFADRO C[C@@H](C(=O)Nc1cccc(-c2nn[nH]n2)c1)[N@@H+]1CC[C@H](c2ccc(F)cc2)C1 ZINC000819877044 606713857 /nfs/dbraw/zinc/71/38/57/606713857.db2.gz NPXCVDNCEGMRQQ-BBRMVZONSA-N 1 0 380.427 2.822 20 0 GFADRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCN(c3sccc3-c3nn[nH]n3)C2=O)cc1F ZINC000822229262 606716646 /nfs/dbraw/zinc/71/66/46/606716646.db2.gz QESGHZCPKATQFB-XHDPSFHLSA-N 1 0 386.456 2.832 20 0 GFADRO CCN1C[C@@H](C)[C@H]([NH2+]Cc2cccc(OCc3ccccc3-c3nn[nH]n3)c2)C1 ZINC000821242585 606733313 /nfs/dbraw/zinc/73/33/13/606733313.db2.gz VJONUUVCLNTENP-IIBYNOLFSA-N 1 0 392.507 2.876 20 0 GFADRO CC(C)(C)OCCC[NH+]1CCN(c2c(-c3nn[nH]n3)cnc3ccccc32)CC1 ZINC000819950706 606765966 /nfs/dbraw/zinc/76/59/66/606765966.db2.gz LSZWKHGJOUOXII-UHFFFAOYSA-N 1 0 395.511 2.742 20 0 GFADRO Cc1cc(-c2nn[nH]n2)ccc1Oc1ccc(C(=O)NCC[N@@H+](C)C2CC2)cc1 ZINC000822144024 606788063 /nfs/dbraw/zinc/78/80/63/606788063.db2.gz JDIOVQYIQLOPHK-UHFFFAOYSA-N 1 0 392.463 2.791 20 0 GFADRO COc1ccc([C@H]2CCC[N@@H+]2C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)c(OC)c1 ZINC000821786422 606850496 /nfs/dbraw/zinc/85/04/96/606850496.db2.gz DHWVPKXULXZDQM-MOPGFXCFSA-N 1 0 395.463 2.754 20 0 GFADRO COc1cccc(C[C@@H]2CCC[N@@H+]2C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)c1 ZINC000821863463 606855601 /nfs/dbraw/zinc/85/56/01/606855601.db2.gz LHLJCFFZBUKLRI-ICSRJNTNSA-N 1 0 379.464 2.616 20 0 GFADRO COc1cccc(C[C@@H]2CCC[N@@H+]2C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)c1 ZINC000821863462 606855633 /nfs/dbraw/zinc/85/56/33/606855633.db2.gz LHLJCFFZBUKLRI-AZUAARDMSA-N 1 0 379.464 2.616 20 0 GFADRO O[C@H](C[NH2+]Cc1ccccc1OCC(F)(F)F)c1ccc(-c2nn[nH]n2)cc1 ZINC000823689533 606857104 /nfs/dbraw/zinc/85/71/04/606857104.db2.gz HDMLKUQXJBUOMQ-OAHLLOKOSA-N 1 0 393.369 2.631 20 0 GFADRO Cc1nc([C@H]2CCC[N@H+](C[C@H](O)c3ccc(-c4nn[nH]n4)cc3)C2)sc1C ZINC000822436826 606859891 /nfs/dbraw/zinc/85/98/91/606859891.db2.gz ROOBREHEZQBNAC-IRXDYDNUSA-N 1 0 384.509 2.853 20 0 GFADRO O=C(c1ccc(F)cc1)[C@H]1CCC[N@@H+](C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000823487690 606862550 /nfs/dbraw/zinc/86/25/50/606862550.db2.gz GFYGTQIUVSEHSW-HKUYNNGSSA-N 1 0 395.438 2.634 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)Nc2cccc(-c3nn[nH]n3)c2)C[N@@H+]1Cc1ccccc1 ZINC000820657898 606870876 /nfs/dbraw/zinc/87/08/76/606870876.db2.gz NCUCMOYICNECIC-KDOFPFPSSA-N 1 0 377.452 2.651 20 0 GFADRO C[C@H]1C[C@H](Nc2nc3c(cc2-c2nn[nH]n2)CCC3)C[N@@H+]1Cc1ccccc1 ZINC000820668760 606875336 /nfs/dbraw/zinc/87/53/36/606875336.db2.gz VZOUYVZBFCKVKX-YOEHRIQHSA-N 1 0 375.480 2.825 20 0 GFADRO CCC[C@H]1CCC[N@H+](CC(=O)Nc2c(-c3nn[nH]n3)cnn2-c2ccccc2)C1 ZINC000821039487 606880547 /nfs/dbraw/zinc/88/05/47/606880547.db2.gz CPHKXEQMRMRKFA-HNNXBMFYSA-N 1 0 394.483 2.503 20 0 GFADRO COc1ccc(CC2CC[NH+](C[C@H](O)c3ccc(-c4nn[nH]n4)cc3)CC2)cc1 ZINC000821791047 606891952 /nfs/dbraw/zinc/89/19/52/606891952.db2.gz ZUPMFOOQPFKBJU-NRFANRHFSA-N 1 0 393.491 2.863 20 0 GFADRO CN(C)c1cccc([C@@H]2CCC[N@@H+]2C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)c1 ZINC000821589355 606902727 /nfs/dbraw/zinc/90/27/27/606902727.db2.gz KLJYOXKAYJBGBS-VQTJNVASSA-N 1 0 378.480 2.803 20 0 GFADRO COc1ccc(C[C@H]2CCC[N@H+](C[C@@H](O)c3ccc(-c4nn[nH]n4)cc3)C2)cc1 ZINC000821790517 606903660 /nfs/dbraw/zinc/90/36/60/606903660.db2.gz PRVIOZAKIWPXBO-DYESRHJHSA-N 1 0 393.491 2.863 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)CCc2ccc(-c3nn[nH]n3)cc2)C[N@@H+]1Cc1ccccc1 ZINC000820658038 606904013 /nfs/dbraw/zinc/90/40/13/606904013.db2.gz OSVPCICNRNDFCJ-UZLBHIALSA-N 1 0 390.491 2.579 20 0 GFADRO C[N@H+](C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1)[C@H]1CCCN(c2ccccc2)C1 ZINC000821595024 606908220 /nfs/dbraw/zinc/90/82/20/606908220.db2.gz KNFQKQRKLMQLJL-VQTJNVASSA-N 1 0 378.480 2.501 20 0 GFADRO O=C(C[C@H]1CCC[N@H+]1C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1)c1cccs1 ZINC000822946188 606930347 /nfs/dbraw/zinc/93/03/47/606930347.db2.gz WULPQESYTBZRRU-NVXWUHKLSA-N 1 0 383.477 2.699 20 0 GFADRO O=C(CC[N@@H+]1CCOC2(C1)CCCCCC2)Nc1ccccc1-c1nn[nH]n1 ZINC000822969305 606934387 /nfs/dbraw/zinc/93/43/87/606934387.db2.gz LOPVZFVKNFPEAO-UHFFFAOYSA-N 1 0 384.484 2.621 20 0 GFADRO O=C(NCc1ccccc1)C1CC[NH+](Cc2ccc(F)c(-c3nn[nH]n3)c2)CC1 ZINC000823261511 606962777 /nfs/dbraw/zinc/96/27/77/606962777.db2.gz LBANGMIHTWYGOI-UHFFFAOYSA-N 1 0 394.454 2.534 20 0 GFADRO CC(C)(C)OC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC000819939995 606965238 /nfs/dbraw/zinc/96/52/38/606965238.db2.gz NEFQEDONPNTOET-AWEZNQCLSA-N 1 0 390.463 2.885 20 0 GFADRO CC[C@H](C(=O)Nc1cccc(OCc2cccc(-c3nn[nH]n3)c2)c1)[NH+](C)C ZINC000820843181 606969215 /nfs/dbraw/zinc/96/92/15/606969215.db2.gz UZLHWOXZXYHSRV-GOSISDBHSA-N 1 0 380.452 2.724 20 0 GFADRO C[C@@H]1C[N@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000820759164 606973812 /nfs/dbraw/zinc/97/38/12/606973812.db2.gz IAAHFPMEZDVWAG-WBMJQRKESA-N 1 0 390.463 2.741 20 0 GFADRO CC[C@H](C[NH+]1CCCC1)NC(=O)N(Cc1ccc(-c2nn[nH]n2)cc1)CC(C)C ZINC000820901328 606987075 /nfs/dbraw/zinc/98/70/75/606987075.db2.gz BEMWHEYORGPEJB-LJQANCHMSA-N 1 0 399.543 2.909 20 0 GFADRO OC[C@H]([NH2+]Cc1cc(-c2nn[nH]n2)cs1)c1cccc(Br)c1 ZINC000823706780 607010306 /nfs/dbraw/zinc/01/03/06/607010306.db2.gz OXNKCXFPKZXICT-ZDUSSCGKSA-N 1 0 380.271 2.514 20 0 GFADRO C[C@@H]([NH2+][C@@H](C)CC(=O)Nc1cccnc1Cl)c1cccc(-c2nn[nH]n2)c1 ZINC000820227093 607084093 /nfs/dbraw/zinc/08/40/93/607084093.db2.gz YFYXKGKQEQRREG-NWDGAFQWSA-N 1 0 385.859 2.983 20 0 GFADRO Cn1cc(Br)cc1C[N@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1 ZINC000821607620 607087368 /nfs/dbraw/zinc/08/73/68/607087368.db2.gz WXAFXOYDYWPVQJ-UHFFFAOYSA-N 1 0 379.237 2.739 20 0 GFADRO C[NH+](C)CCN(Cc1cccc(C(F)(F)F)c1)c1ncccc1-c1nn[nH]n1 ZINC000821586141 607114068 /nfs/dbraw/zinc/11/40/68/607114068.db2.gz LFYPUXCTIGEPII-UHFFFAOYSA-N 1 0 391.401 2.849 20 0 GFADRO C[NH+](C)CCN(Cc1ccc(F)c(F)c1)c1ncc(-c2nn[nH]n2)cc1Cl ZINC000821585969 607114141 /nfs/dbraw/zinc/11/41/41/607114141.db2.gz DAFVVHVTIDWTPR-UHFFFAOYSA-N 1 0 393.829 2.762 20 0 GFADRO c1ccc2c(c1)COC21CC[NH+](CCOc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000823802709 607126498 /nfs/dbraw/zinc/12/64/98/607126498.db2.gz ZFYWWNAILBOGSP-UHFFFAOYSA-N 1 0 377.448 2.767 20 0 GFADRO CC1CCC([N@H+](CCS(=O)(=O)c2cccc(-c3nn[nH]n3)c2)C2CC2)CC1 ZINC000824915602 607827098 /nfs/dbraw/zinc/82/70/98/607827098.db2.gz HGMZIKDJOXIIFZ-UHFFFAOYSA-N 1 0 389.525 2.684 20 0 GFADRO CC[C@H]([NH2+]Cc1cccc(-c2nn[nH]n2)c1)[C@H](c1ccc(C)cc1)n1cncn1 ZINC000825147269 607911308 /nfs/dbraw/zinc/91/13/08/607911308.db2.gz HFSUWKNFMPQYOO-PMACEKPBSA-N 1 0 388.479 2.924 20 0 GFADRO CC(=O)c1ccc2c(c1)CC[N@@H+](CCOc1cccc(-c3nn[nH]n3)c1)CC2 ZINC000824029368 607926059 /nfs/dbraw/zinc/92/60/59/607926059.db2.gz JGJZGAQVPHPIAT-UHFFFAOYSA-N 1 0 377.448 2.549 20 0 GFADRO COc1ccc(C[N@@H+](Cc2ccc(O)c(OC)c2)C2CC2)cc1-c1nn[nH]n1 ZINC000826179692 608040191 /nfs/dbraw/zinc/04/01/91/608040191.db2.gz ZZRPISDJZQLZQI-UHFFFAOYSA-N 1 0 381.436 2.754 20 0 GFADRO COc1ccc([C@@](C)(O)[C@H]2CCC[N@@H+]2Cc2ccc(-c3nn[nH]n3)cc2F)cc1 ZINC000826188038 608064343 /nfs/dbraw/zinc/06/43/43/608064343.db2.gz LZXSPRCQENQHIP-TZIWHRDSSA-N 1 0 397.454 2.887 20 0 GFADRO Cc1cccc([C@H]2CC[N@@H+]([C@H]3CCN(c4ccc(-c5nn[nH]n5)cc4)C3=O)C2)c1 ZINC000826297845 608128014 /nfs/dbraw/zinc/12/80/14/608128014.db2.gz VCEJFCOJLYHCHO-ICSRJNTNSA-N 1 0 388.475 2.770 20 0 GFADRO O=C(N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12)c1sccc1-c1nn[nH]n1 ZINC000826429900 608134754 /nfs/dbraw/zinc/13/47/54/608134754.db2.gz PJPSZUDGEKWWFR-DJIMGWMZSA-N 1 0 394.504 2.569 20 0 GFADRO CC(C)(C)OC(=O)N1CCC(C)(C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000824823457 608135782 /nfs/dbraw/zinc/13/57/82/608135782.db2.gz NVUQTZIVYJINAI-UHFFFAOYSA-N 1 0 386.500 2.994 20 0 GFADRO c1ccc(-c2nn[nH]n2)c(COc2cccc(C[NH2+]CC[C@H]3CCOC3)c2)c1 ZINC000826516176 608135841 /nfs/dbraw/zinc/13/58/41/608135841.db2.gz ZMYMSRDBJGTKOW-INIZCTEOSA-N 1 0 379.464 2.962 20 0 GFADRO C[NH+](C)CCN(Cc1ccc(F)cc1)c1snc(Cl)c1-c1nn[nH]n1 ZINC000825866062 608190677 /nfs/dbraw/zinc/19/06/77/608190677.db2.gz QENIBDGKRQACHY-UHFFFAOYSA-N 1 0 381.868 2.684 20 0 GFADRO C[C@@H](CCO)[N@H+](Cc1cn2ccccc2c1-c1nn[nH]n1)Cc1ccccc1 ZINC000824406646 608267724 /nfs/dbraw/zinc/26/77/24/608267724.db2.gz OXTMMBJPPWIXQS-INIZCTEOSA-N 1 0 376.464 2.893 20 0 GFADRO COCCc1nc(C)c([C@@H](C)[NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)s1 ZINC000826163469 608285524 /nfs/dbraw/zinc/28/55/24/608285524.db2.gz WKQHRFPTPDQOMK-SNVBAGLBSA-N 1 0 376.461 2.810 20 0 GFADRO O=C1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CN1c1ccc(Cl)c(F)c1 ZINC000826478979 608310782 /nfs/dbraw/zinc/31/07/82/608310782.db2.gz NNNCUQMGUXUSPU-VIFPVBQESA-N 1 0 392.847 2.616 20 0 GFADRO C[C@@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000824966429 608310828 /nfs/dbraw/zinc/31/08/28/608310828.db2.gz BAWHPOVOCWQKFU-DLBZAZTESA-N 1 0 390.491 2.531 20 0 GFADRO Cc1nn(-c2ccccc2)c(C[N@@H+]2CCS[C@@H](C(C)C)C2)c1-c1nn[nH]n1 ZINC000826331982 608314785 /nfs/dbraw/zinc/31/47/85/608314785.db2.gz GBVBDDCDXWEQOI-QGZVFWFLSA-N 1 0 383.525 2.934 20 0 GFADRO Cc1nn(-c2ccccc2)c(C[N@H+](C)CCC2CCOCC2)c1-c1nn[nH]n1 ZINC000826332317 608317527 /nfs/dbraw/zinc/31/75/27/608317527.db2.gz QDKYLYYEJAFUMD-UHFFFAOYSA-N 1 0 381.484 2.609 20 0 GFADRO COCC1(C)CC[NH+]([C@@H](C)C(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)CC1 ZINC000826152617 608328043 /nfs/dbraw/zinc/32/80/43/608328043.db2.gz HJGYPKCORBKMBZ-LBPRGKRZSA-N 1 0 392.891 2.596 20 0 GFADRO COc1cc(-c2nn[nH]n2)ccc1CN1CCC[N@H+](Cc2ccccc2)CC1 ZINC000826169203 608353183 /nfs/dbraw/zinc/35/31/83/608353183.db2.gz LBRIYRMSTXLFMF-UHFFFAOYSA-N 1 0 378.480 2.583 20 0 GFADRO COc1cc(-c2nn[nH]n2)ccc1C[N@@H+]1CC[C@H](COCc2ccccc2)C1 ZINC000826168143 608367066 /nfs/dbraw/zinc/36/70/66/608367066.db2.gz DIKBBSHJWKUXGY-KRWDZBQOSA-N 1 0 379.464 2.914 20 0 GFADRO COc1cc(-c2nn[nH]n2)ccc1C[N@H+](Cc1ccccc1)[C@@H](CO)C(C)C ZINC000826168170 608368173 /nfs/dbraw/zinc/36/81/73/608368173.db2.gz DUROOMFWTUHRMQ-IBGZPJMESA-N 1 0 381.480 2.894 20 0 GFADRO CS[C@@H]1CN(c2c(-c3nn[nH]n3)cnc3c(C)cc(C)cc32)C[C@@H]1[NH+](C)C ZINC000826227431 608382728 /nfs/dbraw/zinc/38/27/28/608382728.db2.gz QYTSZUFMVBVWJX-JKSUJKDBSA-N 1 0 383.525 2.514 20 0 GFADRO CCC[NH+]1CCN(c2ccc(Nc3ccc(-c4nn[nH]n4)nn3)cc2Cl)CC1 ZINC000825328906 608403463 /nfs/dbraw/zinc/40/34/63/608403463.db2.gz YIJXCNOGZMGUQL-UHFFFAOYSA-N 1 0 399.890 2.586 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)N2CC=C(c3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC000825855586 608426663 /nfs/dbraw/zinc/42/66/63/608426663.db2.gz HVOVOLNJSOAXRK-RTBURBONSA-N 1 0 395.511 2.538 20 0 GFADRO COc1ccc(C)cc1[C@@H](C)[NH2+]CCC(=O)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000826190195 608429377 /nfs/dbraw/zinc/42/93/77/608429377.db2.gz SUAULHFXMNEHNY-CQSZACIVSA-N 1 0 380.452 2.863 20 0 GFADRO CC(=O)Nc1cccc([C@H](C)[NH2+]CCCOc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000824004622 608432932 /nfs/dbraw/zinc/43/29/32/608432932.db2.gz AIMZRRRSRXBMFQ-AWEZNQCLSA-N 1 0 380.452 2.945 20 0 GFADRO Cc1ccc([C@H](C)[NH2+]CCS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)cc1C ZINC000826282856 608443027 /nfs/dbraw/zinc/44/30/27/608443027.db2.gz DLGHEGMMIRTZKC-HNNXBMFYSA-N 1 0 385.493 2.608 20 0 GFADRO CCOc1ccccc1[C@H](CC)[NH2+]CC(=O)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000825654234 608458235 /nfs/dbraw/zinc/45/82/35/608458235.db2.gz SVEDPYBKCRYECE-SFHVURJKSA-N 1 0 394.479 2.623 20 0 GFADRO O[C@H](C[N@H+]1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1)c1ccc(F)cc1F ZINC000826503115 608464666 /nfs/dbraw/zinc/46/46/66/608464666.db2.gz QSKQDGQDLOXJHS-LJQANCHMSA-N 1 0 383.402 2.968 20 0 GFADRO CCCOc1cccc(CNC(=O)C[NH2+][C@H](C)c2ccc(-c3nn[nH]n3)cc2)c1 ZINC000825341711 608468896 /nfs/dbraw/zinc/46/88/96/608468896.db2.gz IKJZXJRQXYWOGK-OAHLLOKOSA-N 1 0 394.479 2.623 20 0 GFADRO CC[C@@H]([NH2+]Cc1cc(-c2nn[nH]n2)ccc1OC)c1ccc2c(c1)OCCO2 ZINC000825139370 608470074 /nfs/dbraw/zinc/47/00/74/608470074.db2.gz FMFCINVILLMNLX-MRXNPFEDSA-N 1 0 381.436 2.887 20 0 GFADRO C[C@H]([NH2+]CCS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)C(C)(C)c1ccccc1 ZINC000824600244 608477771 /nfs/dbraw/zinc/47/77/71/608477771.db2.gz YREDRIDWGLWGPU-HNNXBMFYSA-N 1 0 399.520 2.596 20 0 GFADRO Cc1ccc(C)c(OC[C@H](O)C[NH2+][C@H](C)c2cccc(-c3nn[nH]n3)c2)c1C ZINC000826284775 608481285 /nfs/dbraw/zinc/48/12/85/608481285.db2.gz FDXXTKAKBXPUKI-VQIMIIECSA-N 1 0 381.480 2.882 20 0 GFADRO C[C@@H]([NH2+]CC(=O)N(C)c1nc2ccccc2s1)c1cccc(-c2nn[nH]n2)c1 ZINC000824553687 608481858 /nfs/dbraw/zinc/48/18/58/608481858.db2.gz FWISRQQPBRBWEE-GFCCVEGCSA-N 1 0 393.476 2.790 20 0 GFADRO C[C@H]([NH2+]C[C@@H](O)COCc1ccccc1Cl)c1cccc(-c2nn[nH]n2)c1 ZINC000824568851 608490391 /nfs/dbraw/zinc/49/03/91/608490391.db2.gz DQNAFTOEYDQZLI-SUMWQHHRSA-N 1 0 387.871 2.748 20 0 GFADRO C[C@H]([NH2+]C[C@H](O)CO[C@@H]1CCCc2ccccc21)c1cccc(-c2nn[nH]n2)c1 ZINC000824571710 608491856 /nfs/dbraw/zinc/49/18/56/608491856.db2.gz RGKGLYHDAOXUKM-PAXLWEDBSA-N 1 0 393.491 2.972 20 0 GFADRO CC(=O)c1ccccc1NC(=O)[C@@H](C)[NH2+][C@H](C)c1cccc(-c2nn[nH]n2)c1 ZINC000824029862 608493074 /nfs/dbraw/zinc/49/30/74/608493074.db2.gz RWUBRPXBMMGWTD-CHWSQXEVSA-N 1 0 378.436 2.747 20 0 GFADRO Cc1cc(CN2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)cnc1Cl ZINC000826266544 608506995 /nfs/dbraw/zinc/50/69/95/608506995.db2.gz SBLGGJIJQRKVEC-UHFFFAOYSA-N 1 0 397.914 2.931 20 0 GFADRO FC(F)(F)CN1CCC([NH2+][C@@H]2CCCc3cc(-c4nn[nH]n4)ccc32)CC1 ZINC000826367876 608507637 /nfs/dbraw/zinc/50/76/37/608507637.db2.gz RJNWKHTZMJCFHH-MRXNPFEDSA-N 1 0 380.418 2.860 20 0 GFADRO c1sc(C[N@@H+]2CCC[C@H](c3nnc4n3CCCCC4)C2)cc1-c1nn[nH]n1 ZINC000826526718 608512123 /nfs/dbraw/zinc/51/21/23/608512123.db2.gz KASBLAYUTOICEB-ZDUSSCGKSA-N 1 0 384.513 2.626 20 0 GFADRO O=C1[C@H]([NH2+][C@@H]2CCCc3cc(-c4nn[nH]n4)ccc32)CCN1Cc1ccccc1 ZINC000826476857 608520538 /nfs/dbraw/zinc/52/05/38/608520538.db2.gz QNYDZBFQVXMXPH-WOJBJXKFSA-N 1 0 388.475 2.635 20 0 GFADRO O=C1[C@H]([NH2+][C@@H]2CCCc3cc(-c4nn[nH]n4)ccc32)CCN1C1CCCCC1 ZINC000826476554 608523750 /nfs/dbraw/zinc/52/37/50/608523750.db2.gz KHCLSGVMVKTHIL-RTBURBONSA-N 1 0 380.496 2.767 20 0 GFADRO CC(C)(C)OC(=O)N1CC(C[NH2+][C@@H]2CCCc3cc(-c4nn[nH]n4)ccc32)C1 ZINC000824104818 608525493 /nfs/dbraw/zinc/52/54/93/608525493.db2.gz YPSCMKNRNFMTBQ-QGZVFWFLSA-N 1 0 384.484 2.701 20 0 GFADRO CCOc1c(OC)cc(C[N@H+](C)Cc2ccc(-c3nn[nH]n3)cc2)cc1OC ZINC000825604264 608525881 /nfs/dbraw/zinc/52/58/81/608525881.db2.gz GLXILEUGKCFOPM-UHFFFAOYSA-N 1 0 383.452 2.915 20 0 GFADRO CC(C)N(Cc1ccccc1)C(=O)C[NH2+]C1(c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000824297699 608528859 /nfs/dbraw/zinc/52/88/59/608528859.db2.gz ZFAQAOJDCXEDFG-UHFFFAOYSA-N 1 0 390.491 2.883 20 0 GFADRO CC[C@@H]([NH2+]C[C@H](O)COc1ccc(-c2nn[nH]n2)cc1)c1ccc(F)cc1F ZINC000825141823 608535249 /nfs/dbraw/zinc/53/52/49/608535249.db2.gz QDLDZYXOLFVZDZ-KBXCAEBGSA-N 1 0 389.406 2.626 20 0 GFADRO CC[C@@H]([NH2+]C[C@@H](O)COc1ccc(-c2nn[nH]n2)cc1)c1ccc(F)cc1F ZINC000825141826 608535402 /nfs/dbraw/zinc/53/54/02/608535402.db2.gz QDLDZYXOLFVZDZ-RDTXWAMCSA-N 1 0 389.406 2.626 20 0 GFADRO O[C@@H](C[NH2+]C1(c2cccc(Cl)c2)CC1)COc1ccc(-c2nn[nH]n2)cc1 ZINC000826503172 608537326 /nfs/dbraw/zinc/53/73/26/608537326.db2.gz RYLQEFOOAUXBCV-INIZCTEOSA-N 1 0 385.855 2.539 20 0 GFADRO CC[C@H]1Oc2cc([C@@H](C)[NH2+]Cc3ccc(F)cc3-c3nn[nH]n3)ccc2NC1=O ZINC000825219288 608538266 /nfs/dbraw/zinc/53/82/66/608538266.db2.gz IXGYXNWXIYPGLC-PIGZYNQJSA-N 1 0 396.426 2.966 20 0 GFADRO CC[C@@H]1Oc2cc([C@H](C)[NH2+]Cc3cc(-c4nn[nH]n4)ccc3F)ccc2NC1=O ZINC000825219106 608538326 /nfs/dbraw/zinc/53/83/26/608538326.db2.gz HNCPXADBBVEEAU-GTNSWQLSSA-N 1 0 396.426 2.966 20 0 GFADRO CCC[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)Cc1cnc(N2CCCC2)nc1 ZINC000825323003 608548572 /nfs/dbraw/zinc/54/85/72/608548572.db2.gz MVYNDPNEFZROTH-UHFFFAOYSA-N 1 0 378.484 2.669 20 0 GFADRO COc1ccc(-c2nn[nH]n2)cc1C[NH2+][C@H](C)c1ccc(-n2cccn2)cc1 ZINC000826184206 608551100 /nfs/dbraw/zinc/55/11/00/608551100.db2.gz ODAZWRAQADFSIH-CQSZACIVSA-N 1 0 375.436 2.912 20 0 GFADRO O=C(C[NH2+][C@@H](C[C@H]1CCOC1)c1ccccc1)Nc1sccc1-c1nn[nH]n1 ZINC000826412324 608552444 /nfs/dbraw/zinc/55/24/44/608552444.db2.gz KGSSOZRPIQQRSN-CJNGLKHVSA-N 1 0 398.492 2.624 20 0 GFADRO C[C@H]([NH2+]C[C@H](O)COc1ccc(-c2nn[nH]n2)cc1)c1c(F)cccc1Cl ZINC000824568578 608552855 /nfs/dbraw/zinc/55/28/55/608552855.db2.gz ASOCOGUIKVZJLY-AAEUAGOBSA-N 1 0 391.834 2.750 20 0 GFADRO CN1C(=O)C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)[C@@H]1c1ccc(Cl)cc1 ZINC000826010231 608568506 /nfs/dbraw/zinc/56/85/06/608568506.db2.gz FAEWDICKEIANDO-WMZOPIPTSA-N 1 0 382.855 2.582 20 0 GFADRO CN1C(=O)C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)[C@@H]1c1ccc(Cl)cc1 ZINC000826011131 608568864 /nfs/dbraw/zinc/56/88/64/608568864.db2.gz YOGLUHYVBLFCII-BBRMVZONSA-N 1 0 388.884 2.643 20 0 GFADRO CC(C)(C)OC(=O)N[C@H]1CCC[C@H]1[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC000824108416 608578768 /nfs/dbraw/zinc/57/87/68/608578768.db2.gz FRZONZDUGRIFPW-CABCVRRESA-N 1 0 376.436 2.541 20 0 GFADRO Fc1c(C[NH+]2CCC(OC[C@@H]3CCCCO3)CC2)cccc1-c1nn[nH]n1 ZINC000826370724 608651600 /nfs/dbraw/zinc/65/16/00/608651600.db2.gz FSYNPUBFIKVFKZ-INIZCTEOSA-N 1 0 375.448 2.556 20 0 GFADRO C[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)s2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000824983546 608701234 /nfs/dbraw/zinc/70/12/34/608701234.db2.gz BLLZMJVVDAZMEU-YPMHNXCESA-N 1 0 378.502 2.663 20 0 GFADRO C[N@H+](Cc1cnc2ccc(-c3nn[nH]n3)cn12)[C@H]1CCCN(c2ccccc2)C1 ZINC000825992499 608713354 /nfs/dbraw/zinc/71/33/54/608713354.db2.gz YXROAEJTPWNXTF-SFHVURJKSA-N 1 0 388.479 2.615 20 0 GFADRO CCCCO[C@H]1C[C@@H]([N@H+](C)Cc2cnc3ccc(-c4nn[nH]n4)cn23)C1(C)C ZINC000825291388 608750161 /nfs/dbraw/zinc/75/01/61/608750161.db2.gz QMPDPFWKIRKPOA-SJORKVTESA-N 1 0 383.500 2.930 20 0 GFADRO C[C@H]([NH2+]C1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1)c1ccccc1N(C)C ZINC000824553873 608755356 /nfs/dbraw/zinc/75/53/56/608755356.db2.gz JOZHBEBRYKUDSP-HNNXBMFYSA-N 1 0 392.511 2.647 20 0 GFADRO C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@@H+]1Cc1cc(-c2nn[nH]n2)cs1 ZINC000824893390 608846572 /nfs/dbraw/zinc/84/65/72/608846572.db2.gz QIFZERWYXVWHTH-AAEUAGOBSA-N 1 0 378.502 2.806 20 0 GFADRO C[C@H]([NH2+]CCNc1nccc(C(F)(F)F)n1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824599468 609144708 /nfs/dbraw/zinc/14/47/08/609144708.db2.gz PJTPUKAWEYFOAK-VIFPVBQESA-N 1 0 396.352 2.577 20 0 GFADRO C[C@@H]([NH2+]CCCN(C(=O)C1CCC1)C1CC1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824585302 609150526 /nfs/dbraw/zinc/15/05/26/609150526.db2.gz PKPORTIJNCVLEE-CYBMUJFWSA-N 1 0 386.475 2.838 20 0 GFADRO C[C@H]([NH2+][C@H]1CCCN(Cc2ccccc2)C1=O)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824547133 609154183 /nfs/dbraw/zinc/15/41/83/609154183.db2.gz MSXRUDGUFIGFGU-LIRRHRJNSA-N 1 0 394.454 2.848 20 0 GFADRO C[C@@H]([NH2+]C[C@H](NC(=O)OC(C)(C)C)C1CC1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824569169 609154234 /nfs/dbraw/zinc/15/42/34/609154234.db2.gz GHUMGNQWFXVCEJ-BZNIZROVSA-N 1 0 390.463 2.960 20 0 GFADRO C[C@H](CCc1ccco1)[NH2+][C@@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000824412570 609168285 /nfs/dbraw/zinc/16/82/85/609168285.db2.gz BAVKFQTXJOXXPP-RDTXWAMCSA-N 1 0 380.452 2.566 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O)c1cc(F)cc(F)c1 ZINC000824547610 609168790 /nfs/dbraw/zinc/16/87/90/609168790.db2.gz QMAPQPGUHDLWBE-KPZWWZAWSA-N 1 0 398.417 2.991 20 0 GFADRO CC[C@H]1C[C@@H](C[N@@H+]2CCCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)CCO1 ZINC000825184671 609170167 /nfs/dbraw/zinc/17/01/67/609170167.db2.gz XTDQZRRSHAWFDO-ICSRJNTNSA-N 1 0 384.528 2.580 20 0 GFADRO CCS(=O)(=O)c1ccc(C[NH2+][C@@H](C)c2ccc(-c3nn[nH]n3)c(F)c2)cc1 ZINC000825669448 609256330 /nfs/dbraw/zinc/25/63/30/609256330.db2.gz XYKAIPLVPITTMP-LBPRGKRZSA-N 1 0 389.456 2.650 20 0 GFADRO C[C@@H](NC(=O)CCc1ccc(-c2nn[nH]n2)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000824477641 609285138 /nfs/dbraw/zinc/28/51/38/609285138.db2.gz BHCJMUSZWFDKHJ-QAPCUYQASA-N 1 0 382.512 2.569 20 0 GFADRO C[C@@H](NC(=O)N[C@@H](C)c1ccc(-c2nn[nH]n2)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000824491335 609300217 /nfs/dbraw/zinc/30/02/17/609300217.db2.gz TUZTWQMBMOBYEE-HDMKZQKVSA-N 1 0 397.527 2.880 20 0 GFADRO C[C@H]([NH2+][C@H](CN1CCOCC1)c1ccccc1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824531888 609324149 /nfs/dbraw/zinc/32/41/49/609324149.db2.gz RFWXEVRNEWDBET-MGPUTAFESA-N 1 0 396.470 2.730 20 0 GFADRO C[C@@H]([NH2+]C[C@H](c1ccccc1)N1CCOCC1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824573493 609324611 /nfs/dbraw/zinc/32/46/11/609324611.db2.gz ZOUPUTDPWXTXBO-FOIQADDNSA-N 1 0 396.470 2.730 20 0 GFADRO CCOC(=O)N[C@@H](C[NH2+][C@@H](C)c1ccc(-c2nn[nH]n2)cc1F)CC(C)C ZINC000825523612 609325014 /nfs/dbraw/zinc/32/50/14/609325014.db2.gz RHTRKFRWRCHVEE-GXTWGEPZSA-N 1 0 378.452 2.817 20 0 GFADRO C[C@@H]([NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824546238 609333939 /nfs/dbraw/zinc/33/39/39/609333939.db2.gz HSCHVKRHUFDIRT-DGCLKSJQSA-N 1 0 376.436 2.666 20 0 GFADRO COc1cccc(C[NH2+]Cc2cn(C)nc2-c2ccc(-c3nn[nH]n3)cc2)c1 ZINC000826216154 609335217 /nfs/dbraw/zinc/33/52/17/609335217.db2.gz MPILRNSDCSCVQF-UHFFFAOYSA-N 1 0 375.436 2.566 20 0 GFADRO Cn1cc(C[NH2+][C@@H]2CCc3ccccc3C2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826360839 609335734 /nfs/dbraw/zinc/33/57/34/609335734.db2.gz AGSOUXYIBVYKEI-HXUWFJFHSA-N 1 0 385.475 2.914 20 0 GFADRO C[C@@H]([NH2+]CCc1nc2c(cccc2F)n1C)c1ccc(-c2nn[nH]n2)cc1F ZINC000824605552 609341309 /nfs/dbraw/zinc/34/13/09/609341309.db2.gz KBDXHAGDHBOLJJ-LLVKDONJSA-N 1 0 383.406 2.925 20 0 GFADRO Cn1cc(C[NH2+]CC(C)(C)[C@@H]2CCCCO2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826361161 609341617 /nfs/dbraw/zinc/34/16/17/609341617.db2.gz NRJXKIIPQFBLHB-SFHVURJKSA-N 1 0 395.511 2.952 20 0 GFADRO C[C@H](Nc1ccc(N2CC[NH+](C)CC2)cc1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824658587 609348908 /nfs/dbraw/zinc/34/89/08/609348908.db2.gz YOUNTODRUDWRKY-AWEZNQCLSA-N 1 0 381.459 2.931 20 0 GFADRO Cc1c(NC(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cccc1-c1nn[nH]n1 ZINC000826242049 609354472 /nfs/dbraw/zinc/35/44/72/609354472.db2.gz XUSYDFVPAYSQII-LSDHHAIUSA-N 1 0 383.500 2.950 20 0 GFADRO Brc1cc(-c2nn[nH]n2)ccc1C[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000823821532 609358421 /nfs/dbraw/zinc/35/84/21/609358421.db2.gz WDAIRONCMAYVHW-UHFFFAOYSA-N 1 0 388.273 2.732 20 0 GFADRO OCCC1([NH2+]Cc2ccc(-c3nn[nH]n3)cc2Br)CCCCC1 ZINC000826509562 609367658 /nfs/dbraw/zinc/36/76/58/609367658.db2.gz YVIRCRCLBAYUKO-UHFFFAOYSA-N 1 0 380.290 2.804 20 0 GFADRO OCC[C@H]([NH2+]Cc1ccccc1-c1nn[nH]n1)c1ccccc1Br ZINC000826509293 609384422 /nfs/dbraw/zinc/38/44/22/609384422.db2.gz RBLLOUPTWJXUEB-INIZCTEOSA-N 1 0 388.269 2.843 20 0 GFADRO O[C@H]1CC[N@H+](Cc2ccccc2CNc2ccc(-c3nn[nH]n3)c(Cl)c2)C1 ZINC000826506722 609388138 /nfs/dbraw/zinc/38/81/38/609388138.db2.gz AQNBYAFSDWJQHM-INIZCTEOSA-N 1 0 384.871 2.699 20 0 GFADRO Cc1cccc2c1CC[C@H]2[NH2+][C@@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000826305435 609414684 /nfs/dbraw/zinc/41/46/84/609414684.db2.gz WNFMIORAIICAOA-WOJBJXKFSA-N 1 0 388.475 2.948 20 0 GFADRO O=C1[C@H]([NH2+][C@H]2CCc3cc(F)ccc32)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476860 609415782 /nfs/dbraw/zinc/41/57/82/609415782.db2.gz QPDKWPLITBLMJS-RBUKOAKNSA-N 1 0 392.438 2.778 20 0 GFADRO C[N@@H+]1CCCN(C(=O)Nc2cccc(Oc3ccc(-c4nn[nH]n4)cc3)c2)CC1 ZINC000826033355 609494813 /nfs/dbraw/zinc/49/48/13/609494813.db2.gz AUMLCBYTRJAHHH-UHFFFAOYSA-N 1 0 393.451 2.828 20 0 GFADRO Cc1cccc(NC[C@@H]2CCN(c3ncc(Cl)c(C)c3-c3nn[nH]n3)C2)[nH+]1 ZINC000826299440 609544668 /nfs/dbraw/zinc/54/46/68/609544668.db2.gz FLFIROLXWPIOBL-ZDUSSCGKSA-N 1 0 384.875 2.865 20 0 GFADRO Cc1c(Cl)cnc(NC2CC[NH+](CCOC(C)C)CC2)c1-c1nn[nH]n1 ZINC000826238780 609568365 /nfs/dbraw/zinc/56/83/65/609568365.db2.gz PHQDGSWFIXGLSF-UHFFFAOYSA-N 1 0 379.896 2.525 20 0 GFADRO C[NH+](C)C1CCC(NC(=O)NC[C@H](O)c2cccc(Br)c2)CC1 ZINC000817177324 660184962 /nfs/dbraw/zinc/18/49/62/660184962.db2.gz FNSQGLGLEXPSEY-GPANFISMSA-N 1 0 384.318 2.655 20 0 GFADRO Cc1cc(NC(=O)NC[C@H]2COCC[NH2+]2)nn1-c1ccc(Cl)cc1Cl ZINC000528686711 650697895 /nfs/dbraw/zinc/69/78/95/650697895.db2.gz MDTTUJCWWCFTQE-LBPRGKRZSA-N 1 0 384.267 2.597 20 0 GFADRO Cc1cc(NC(=O)NC[C@@H]2COCC[NH2+]2)nn1-c1ccc(Cl)c(Cl)c1 ZINC000528689198 650697907 /nfs/dbraw/zinc/69/79/07/650697907.db2.gz TWJGXOQRSXJDPB-LLVKDONJSA-N 1 0 384.267 2.597 20 0 GFADRO O=C(NCc1cc(Cl)sc1Cl)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000537820663 650824014 /nfs/dbraw/zinc/82/40/14/650824014.db2.gz SJSDHNUKOQBWFB-UHFFFAOYSA-N 1 0 396.259 2.891 20 0 GFADRO COC1([C@H](C)[NH2+]C[C@@H](O)c2ccc(F)c(Br)c2)CCOCC1 ZINC000817296419 660189564 /nfs/dbraw/zinc/18/95/64/660189564.db2.gz ICCCXEKVXMXXQT-XHDPSFHLSA-N 1 0 376.266 2.795 20 0 GFADRO CS(=O)(=O)c1ccc(C(=O)NC2CC[NH+](CC3CCCCC3)CC2)s1 ZINC000817523980 660199413 /nfs/dbraw/zinc/19/94/13/660199413.db2.gz KWQJJNPFSCBUTL-UHFFFAOYSA-N 1 0 384.567 2.926 20 0 GFADRO O=C(NC[C@H](O)c1ccc(Cl)cc1Cl)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000817935526 660212161 /nfs/dbraw/zinc/21/21/61/660212161.db2.gz IBJIJNWHDNJQFE-CJNGLKHVSA-N 1 0 383.279 2.578 20 0 GFADRO CN(C[C@@H](O)C[NH2+]Cc1csc(Br)c1)C(=O)OC(C)(C)C ZINC000818167297 660218429 /nfs/dbraw/zinc/21/84/29/660218429.db2.gz TWTDIKODMPQQBW-NSHDSACASA-N 1 0 379.320 2.828 20 0 GFADRO CN(C(=O)C1CCN(C(=O)c2ccc(Cl)s2)CC1)C1CCC([NH3+])CC1 ZINC000818529724 660228205 /nfs/dbraw/zinc/22/82/05/660228205.db2.gz ZIHLRLMTELKJKV-UHFFFAOYSA-N 1 0 383.945 2.982 20 0 GFADRO CCOC(=O)C(F)(F)[C@@H]1CC[C@H]([NH2+][C@H](C)c2ncc(C(=O)OC)s2)C1 ZINC000818357720 660224417 /nfs/dbraw/zinc/22/44/17/660224417.db2.gz JNXDAOUJWIYUHH-MXWKQRLJSA-N 1 0 376.425 2.947 20 0 GFADRO CN(Cc1ccccc1)C(=O)C[NH2+]C[C@@H](O)c1ccc(F)c(Br)c1 ZINC000818965158 660238930 /nfs/dbraw/zinc/23/89/30/660238930.db2.gz FNLROIMBBXGZKV-QGZVFWFLSA-N 1 0 395.272 2.870 20 0 GFADRO CN(Cc1ccccc1)C(=O)C[NH2+]C[C@@H](O)c1ccc(Br)cc1 ZINC000818966921 660238974 /nfs/dbraw/zinc/23/89/74/660238974.db2.gz VPGUGQQTQVBJCR-QGZVFWFLSA-N 1 0 377.282 2.731 20 0 GFADRO CCN(CC)S(=O)(=O)c1ccc(C[NH2+]C[C@@H](O)c2ccccc2F)s1 ZINC000818945949 660236368 /nfs/dbraw/zinc/23/63/68/660236368.db2.gz WCZHGPFDQKLSPV-MRXNPFEDSA-N 1 0 386.514 2.741 20 0 GFADRO O[C@@H](C[NH2+]Cc1ccnc(N2CCOCC2)c1)c1cccc(Br)c1 ZINC000818952192 660237524 /nfs/dbraw/zinc/23/75/24/660237524.db2.gz XNCQCVFDTFORLX-KRWDZBQOSA-N 1 0 392.297 2.504 20 0 GFADRO O=C(NCCC[NH2+]C[C@@H](O)c1cccc(Br)c1)c1ccccc1 ZINC000818990108 660241851 /nfs/dbraw/zinc/24/18/51/660241851.db2.gz UGUAAPOMIZJOTB-QGZVFWFLSA-N 1 0 377.282 2.892 20 0 GFADRO CN(C[C@@H](O)C[NH2+]CCc1ccccc1Br)C(=O)OC(C)(C)C ZINC000818987492 660241962 /nfs/dbraw/zinc/24/19/62/660241962.db2.gz YJVASSLVAHERSO-AWEZNQCLSA-N 1 0 387.318 2.809 20 0 GFADRO COC(=O)N1CCC[C@H]([NH2+]C[C@](C)(O)c2ccc(Br)cc2F)C1 ZINC000819001882 660242938 /nfs/dbraw/zinc/24/29/38/660242938.db2.gz GAVWBIQEGXCTES-LRDDRELGSA-N 1 0 389.265 2.616 20 0 GFADRO COc1cc(Br)c(C[NH2+]C[C@@H](O)c2ccc(F)cn2)cc1OC ZINC000819007472 660243141 /nfs/dbraw/zinc/24/31/41/660243141.db2.gz YIYWMCMCUYGOQO-CQSZACIVSA-N 1 0 385.233 2.824 20 0 GFADRO CO[C@@H](C[NH2+]C[C@H](O)c1ccc(S(C)(=O)=O)cc1)c1cccc(Cl)c1 ZINC000819121619 660247171 /nfs/dbraw/zinc/24/71/71/660247171.db2.gz HNWWAQRAVOSAOR-ROUUACIJSA-N 1 0 383.897 2.754 20 0 GFADRO CN(C[C@H](O)C[NH2+]CCc1nc(C(F)(F)F)cs1)C(=O)OC(C)(C)C ZINC000819124127 660247439 /nfs/dbraw/zinc/24/74/39/660247439.db2.gz MQIMSJHFWBDXQX-SNVBAGLBSA-N 1 0 383.436 2.522 20 0 GFADRO CC(C)OCCN1CCC([NH2+]C[C@H](O)c2ccccc2Br)CC1 ZINC000819128890 660247483 /nfs/dbraw/zinc/24/74/83/660247483.db2.gz SOJRVVBZSWWUFR-SFHVURJKSA-N 1 0 385.346 2.962 20 0 GFADRO CN(C)[C@@]1(C[NH2+]C[C@](C)(O)c2ccc(Br)cc2F)CCSC1 ZINC000819132353 660247643 /nfs/dbraw/zinc/24/76/43/660247643.db2.gz WDNYJLIYNILTLO-JKSUJKDBSA-N 1 0 391.350 2.823 20 0 GFADRO C[C@@](O)(C[NH2+]CCCO[C@@H]1CCOC1)c1ccc(Br)cc1F ZINC000819150898 660248138 /nfs/dbraw/zinc/24/81/38/660248138.db2.gz SZOQCTWMAYCWDU-CZUORRHYSA-N 1 0 376.266 2.581 20 0 GFADRO CON(C)C(=O)[C@H](CCSC)[NH2+]C[C@@H](O)c1ccc(Cl)cc1Cl ZINC000819170866 660248545 /nfs/dbraw/zinc/24/85/45/660248545.db2.gz CBMBXMBNDJPVJZ-UONOGXRCSA-N 1 0 381.325 2.758 20 0 GFADRO O=C1[C@@H]([NH2+]C[C@H](O)c2ccc(F)cn2)CCN1c1ccc(Cl)c(Cl)c1 ZINC000819212187 660250230 /nfs/dbraw/zinc/25/02/30/660250230.db2.gz JNAHACWMNLRNSW-HOTGVXAUSA-N 1 0 384.238 2.956 20 0 GFADRO C[C@](O)(C[NH2+]C[C@]1(C)CCC(=O)N1)c1ccc(Br)cc1Cl ZINC000819360520 660256796 /nfs/dbraw/zinc/25/67/96/660256796.db2.gz CKWROYATANFJJW-GJZGRUSLSA-N 1 0 375.694 2.568 20 0 GFADRO O[C@H](C[NH2+][C@@H]1CCN(c2cccc(Br)c2)C1)c1ccc(F)cn1 ZINC000819270016 660253131 /nfs/dbraw/zinc/25/31/31/660253131.db2.gz RZHCLHJKXMWLDZ-RHSMWYFYSA-N 1 0 380.261 2.885 20 0 GFADRO O[C@H](C[NH2+]C[C@H](N1CCOCC1)C(F)(F)F)c1ccc(Cl)cc1Cl ZINC000819309126 660254557 /nfs/dbraw/zinc/25/45/57/660254557.db2.gz LGDJKGLCVTXDIO-KGLIPLIRSA-N 1 0 387.229 2.880 20 0 GFADRO O[C@@H](C[NH2+]CCn1cc(Br)cn1)c1ccccc1Br ZINC000819308423 660254565 /nfs/dbraw/zinc/25/45/65/660254565.db2.gz SPSZEXMNSUNCQD-ZDUSSCGKSA-N 1 0 389.091 2.731 20 0 GFADRO COc1ccc(C[NH2+]C[C@@H](O)c2ccc(F)c(Br)c2)c(OC)n1 ZINC000819324104 660254891 /nfs/dbraw/zinc/25/48/91/660254891.db2.gz UMERKVCZRJHCFG-CQSZACIVSA-N 1 0 385.233 2.824 20 0 GFADRO CCO[C@@H]1C[C@H]([NH2+]C[C@H](O)c2ccc(F)c(Br)c2)[C@@H]1n1cccn1 ZINC000819333141 660255289 /nfs/dbraw/zinc/25/52/89/660255289.db2.gz KHNSJHFBSNAXBQ-NXOAAHMSSA-N 1 0 398.276 2.826 20 0 GFADRO CCO[C@@H]1C[C@H]([NH2+]C[C@@H](O)c2ccccc2Br)[C@H]1n1cccn1 ZINC000819334426 660255302 /nfs/dbraw/zinc/25/53/02/660255302.db2.gz XYAVNHIXJBZZAF-YLFCFFPRSA-N 1 0 380.286 2.687 20 0 GFADRO CCN1C[C@@H]([NH2+]C[C@](C)(O)c2ccc(Br)cc2Cl)CC1=O ZINC000819348342 660256154 /nfs/dbraw/zinc/25/61/54/660256154.db2.gz CDFINWWEXDMGKG-NHYWBVRUSA-N 1 0 375.694 2.520 20 0 GFADRO CCOC(=O)N1CC[C@H]([NH2+]C[C@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000819239670 660251427 /nfs/dbraw/zinc/25/14/27/660251427.db2.gz UPQWVUFEWXMJEX-STQMWFEESA-N 1 0 377.268 2.554 20 0 GFADRO C[C@](O)(C[NH2+]Cc1cc(C(N)=O)co1)c1ccc(Br)cc1Cl ZINC000819244795 660251849 /nfs/dbraw/zinc/25/18/49/660251849.db2.gz USQRDPCUBUDKJL-HNNXBMFYSA-N 1 0 387.661 2.792 20 0 GFADRO Cc1ccc(Br)cc1C[NH2+]C[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC000819253166 660252059 /nfs/dbraw/zinc/25/20/59/660252059.db2.gz BRFBJKJKYYOMPE-QGZVFWFLSA-N 1 0 398.322 2.984 20 0 GFADRO C[N@@H+]1C[C@@H]2CCCN(C(=O)c3cnn(-c4ccccc4)c3Br)[C@@H]2C1 ZINC000819718065 660267769 /nfs/dbraw/zinc/26/77/69/660267769.db2.gz CNJIXMZZVAUWHV-XJKSGUPXSA-N 1 0 389.297 2.801 20 0 GFADRO CN(CC[NH+](C)C)c1ccc(Br)cc1NC(=O)/C=C/[C@@H]1CCOC1 ZINC000819736204 660268025 /nfs/dbraw/zinc/26/80/25/660268025.db2.gz FBWLJRQFGYLLSD-BTKRWWFXSA-N 1 0 396.329 2.978 20 0 GFADRO C[NH+](C)Cc1cc(CNC(=O)c2cc(N)nc(Br)c2)ccc1F ZINC000820022654 660278412 /nfs/dbraw/zinc/27/84/12/660278412.db2.gz JGNAHLPKYYDODJ-UHFFFAOYSA-N 1 0 381.249 2.557 20 0 GFADRO C[C@@H]([NH2+]C1(CNC(=O)C2(Br)CC2)CCOCC1)c1ccccc1 ZINC000819987561 660277395 /nfs/dbraw/zinc/27/73/95/660277395.db2.gz ZQVARWCCDSOQSK-CQSZACIVSA-N 1 0 381.314 2.930 20 0 GFADRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)c3cnc(CCC(F)(F)F)s3)[C@H]2C1 ZINC000820592546 660298382 /nfs/dbraw/zinc/29/83/82/660298382.db2.gz JDKITVKGXLJCSL-NWDGAFQWSA-N 1 0 377.432 2.573 20 0 GFADRO CC[NH+](CC)CCN(C(=O)c1sccc1C(F)F)[C@H]1CCS(=O)(=O)C1 ZINC000821330505 660321584 /nfs/dbraw/zinc/32/15/84/660321584.db2.gz UWCVFXCODALUHN-LBPRGKRZSA-N 1 0 394.509 2.657 20 0 GFADRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1CCn1cnc(Br)n1 ZINC000821379144 660323572 /nfs/dbraw/zinc/32/35/72/660323572.db2.gz BGEJOCJDAVZNGW-OAHLLOKOSA-N 1 0 378.318 2.637 20 0 GFADRO CCn1ncc(C(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)c1Br ZINC000821969556 660337456 /nfs/dbraw/zinc/33/74/56/660337456.db2.gz ZVTIHIDYZPZAHN-CJNGLKHVSA-N 1 0 391.313 2.916 20 0 GFADRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C[C@H]2C(=O)Nc3ccc(Br)cc32)C1 ZINC000822150442 660340910 /nfs/dbraw/zinc/34/09/10/660340910.db2.gz FVFWFHFLMDXUFR-UKRRQHHQSA-N 1 0 394.313 2.816 20 0 GFADRO CC1CC[NH+](CCNC(=O)[C@]2(C)CC2(Br)Br)CC1 ZINC000822058655 660339658 /nfs/dbraw/zinc/33/96/58/660339658.db2.gz HQOIHAQRGLNXFH-LBPRGKRZSA-N 1 0 382.140 2.731 20 0 GFADRO C[C@@H](CNC(=O)[C@]1(C)CC1(Br)Br)C[NH+]1CCCC1 ZINC000822692625 660351970 /nfs/dbraw/zinc/35/19/70/660351970.db2.gz BQTFCRFPIDYKGP-JQWIXIFHSA-N 1 0 382.140 2.731 20 0 GFADRO CCC[N@@H+]1CC[C@H](NC(=O)N(C)C[C@@H](O)c2cccc(Br)c2)C1 ZINC000823045627 660360414 /nfs/dbraw/zinc/36/04/14/660360414.db2.gz YSOMTPHOWDPWIR-JKSUJKDBSA-N 1 0 384.318 2.608 20 0 GFADRO C[NH+](C)C1CCC(NC(=O)[C@](C)(O)c2ccc(F)c(Br)c2)CC1 ZINC000823119039 660362424 /nfs/dbraw/zinc/36/24/24/660362424.db2.gz BQTPQJJZXZWRRN-QWQCLYJRSA-N 1 0 387.293 2.785 20 0 GFADRO Cc1cnc(Br)c(NC(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)c1 ZINC000823491720 660373527 /nfs/dbraw/zinc/37/35/27/660373527.db2.gz IWPDGFBLYWKVCF-ZDUSSCGKSA-N 1 0 383.290 2.527 20 0 GFADRO CC(=O)Nc1ccc(C[NH+]2CCC(NC(=O)C3(Br)CC3)CC2)cc1 ZINC000823370278 660370162 /nfs/dbraw/zinc/37/01/62/660370162.db2.gz YRANKALINXMMIY-UHFFFAOYSA-N 1 0 394.313 2.653 20 0 GFADRO Cc1c(Br)cc(F)cc1C(=O)N1CCOC2(CC[NH+](C)CC2)C1 ZINC000823673888 660377774 /nfs/dbraw/zinc/37/77/74/660377774.db2.gz QQEIQGVUHFHRRR-UHFFFAOYSA-N 1 0 385.277 2.833 20 0 GFADRO O=C(NCC1CC[NH+](Cc2ccccc2)CC1)c1cc(Br)n[nH]1 ZINC000823687142 660378209 /nfs/dbraw/zinc/37/82/09/660378209.db2.gz OMUCBIXRAGUNCU-UHFFFAOYSA-N 1 0 377.286 2.814 20 0 GFADRO C[C@H]1C[C@@H](C[NH2+]C(C)(C)CCS(C)(=O)=O)CCN1C(=O)OC(C)(C)C ZINC000823949567 660383189 /nfs/dbraw/zinc/38/31/89/660383189.db2.gz MANPXQOPZZMSPW-GJZGRUSLSA-N 1 0 376.563 2.825 20 0 GFADRO C[N@@H+]1C[C@@H]2CCCN(C(=O)NCCc3ccc(Br)cc3F)[C@@H]2C1 ZINC000824313719 660389518 /nfs/dbraw/zinc/38/95/18/660389518.db2.gz BKYKBXWOYWOGEW-XJKSGUPXSA-N 1 0 384.293 2.866 20 0 GFADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)Nc1cc(Cl)ccc1OC(F)F ZINC000824421307 660391567 /nfs/dbraw/zinc/39/15/67/660391567.db2.gz LZYMIQFHXQPZPD-NWDGAFQWSA-N 1 0 375.803 2.926 20 0 GFADRO COc1cc(OC)c(C[C@@H](C)[NH2+]Cc2cc(Br)nn2C)c(OC)c1 ZINC000824732991 660400234 /nfs/dbraw/zinc/40/02/34/660400234.db2.gz CSBRHRHMZIMTHZ-LLVKDONJSA-N 1 0 398.301 2.929 20 0 GFADRO Cc1c(Br)cncc1C[N@H+]1CCC[C@@H]1C[C@H](O)c1cnn(C)c1 ZINC000824950306 660406082 /nfs/dbraw/zinc/40/60/82/660406082.db2.gz RFWWSRXXDMXWAU-WBVHZDCISA-N 1 0 379.302 2.974 20 0 GFADRO C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)c2ncc(Br)cn2)C1 ZINC000825238185 660416975 /nfs/dbraw/zinc/41/69/75/660416975.db2.gz RRIDIBUAIIPRJD-MRXNPFEDSA-N 1 0 389.297 2.628 20 0 GFADRO CS(=O)(=O)CC1CCC([NH2+]C[C@@H](O)c2ccccc2Br)CC1 ZINC000825342783 660421718 /nfs/dbraw/zinc/42/17/18/660421718.db2.gz GNCQLZDHUARCIN-SEEARECTSA-N 1 0 390.343 2.676 20 0 GFADRO C[NH+](C)CCOc1cccc(NC(=O)c2c(Br)nc3n2CCC3)c1 ZINC000825536364 660432435 /nfs/dbraw/zinc/43/24/35/660432435.db2.gz POQFXPHFHAWRJR-UHFFFAOYSA-N 1 0 393.285 2.785 20 0 GFADRO [NH3+][C@@H](CC(=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)C1CC1 ZINC000825840999 660443682 /nfs/dbraw/zinc/44/36/82/660443682.db2.gz DHNRNZSDGVCSHR-ZDUSSCGKSA-N 1 0 376.810 2.530 20 0 GFADRO Cc1ccc(NC(=O)c2cc(Br)n(C)n2)c(OCC[NH+](C)C)c1 ZINC000826121098 660450137 /nfs/dbraw/zinc/45/01/37/660450137.db2.gz NTPZXVXBMFCOBT-UHFFFAOYSA-N 1 0 381.274 2.684 20 0 GFADRO Cc1cccc(CN2CCO[C@H](CNC(=O)c3ccoc3Br)C2)c1 ZINC000826555440 660456836 /nfs/dbraw/zinc/45/68/36/660456836.db2.gz BQCGKRZBXJLDFL-OAHLLOKOSA-N 1 0 393.281 2.981 20 0 GFADRO C[N@@H+]1CCCC[C@H](CNC(=O)[C@@](C)(O)c2ccc(F)c(Br)c2)C1 ZINC000827193537 660483138 /nfs/dbraw/zinc/48/31/38/660483138.db2.gz XPEMDJCHOHMUFN-PXAZEXFGSA-N 1 0 387.293 2.644 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(-n4cc(Br)cn4)cc3)CC[C@@H]21 ZINC000827348020 660490390 /nfs/dbraw/zinc/49/03/90/660490390.db2.gz ZHPMHIKZHUNPJR-PBHICJAKSA-N 1 0 389.297 2.801 20 0 GFADRO C/C(=C/c1ccc(Br)o1)C(=O)N1CCC([NH+]2CCN(C)CC2)CC1 ZINC000827426404 660494849 /nfs/dbraw/zinc/49/48/49/660494849.db2.gz XJDCYTWSYVIOHG-YPKPFQOOSA-N 1 0 396.329 2.684 20 0 GFADRO CC[NH+](CC)CCCCNC(=O)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000827516235 660499990 /nfs/dbraw/zinc/49/99/90/660499990.db2.gz YOIDXGIORCHVJJ-UHFFFAOYSA-N 1 0 380.432 2.832 20 0 GFADRO C[NH+]1C[C@]2(C)CN(C(=O)c3ccc4c(Br)cnn4c3)C[C@@]2(C)C1 ZINC000827598078 660504030 /nfs/dbraw/zinc/50/40/30/660504030.db2.gz KKLSFXJCRSTPDT-IAGOWNOFSA-N 1 0 377.286 2.511 20 0 GFADRO CC(C)c1ncc(Br)c(C(=O)N2C[C@]3(C)C[N@H+](C)C[C@]3(C)C2)n1 ZINC000827598491 660504068 /nfs/dbraw/zinc/50/40/68/660504068.db2.gz RELPZHGUQHYPNG-CALCHBBNSA-N 1 0 381.318 2.776 20 0 GFADRO C[C@]1(C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)CC1(Br)Br ZINC000828447946 660548883 /nfs/dbraw/zinc/54/88/83/660548883.db2.gz BDZPNFJWHJVPOV-WCQYABFASA-N 1 0 394.151 2.827 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3cnnn3-c3cccc(Cl)c3Cl)CC[C@H]21 ZINC000828512594 660553559 /nfs/dbraw/zinc/55/35/59/660553559.db2.gz WODKWVRILVVRCX-DGCLKSJQSA-N 1 0 380.279 2.740 20 0 GFADRO C[NH+]1CCC(CCO)(NC(=O)C(F)(F)c2ccccc2Br)CC1 ZINC000828682966 660561473 /nfs/dbraw/zinc/56/14/73/660561473.db2.gz UELACMUHHXZNNU-UHFFFAOYSA-N 1 0 391.256 2.504 20 0 GFADRO Cn1cc(NC(=O)CCc2ccc(OCC[NH+](C)C)cc2)c(Br)n1 ZINC000829128335 660583017 /nfs/dbraw/zinc/58/30/17/660583017.db2.gz PNBZRJVLPPDDON-UHFFFAOYSA-N 1 0 395.301 2.694 20 0 GFADRO CC[NH+](CC)[C@@H]1CCN(C(=O)c2cccc(S(=O)(=O)C(F)(F)F)c2)C1 ZINC000829201241 660585159 /nfs/dbraw/zinc/58/51/59/660585159.db2.gz GCRFZBNCFPJISB-CYBMUJFWSA-N 1 0 378.416 2.536 20 0 GFADRO COc1ccc(Br)c(C(=O)N(C)CC[NH+]2CC3(C2)CCOCC3)c1 ZINC000829292266 660587662 /nfs/dbraw/zinc/58/76/62/660587662.db2.gz ICRQDHAMNVPGCQ-UHFFFAOYSA-N 1 0 397.313 2.642 20 0 GFADRO O=C(N1CCC[C@@H]1c1ccccc1I)[C@]1(F)CC[NH2+]C1 ZINC000829598142 660602471 /nfs/dbraw/zinc/60/24/71/660602471.db2.gz FUVUKCAFIGRGKA-HIFRSBDPSA-N 1 0 388.224 2.656 20 0 GFADRO O=C(NCc1ncc(Br)s1)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000829545244 660599357 /nfs/dbraw/zinc/59/93/57/660599357.db2.gz MCRUYMRNFUNMDL-CYBMUJFWSA-N 1 0 395.326 2.829 20 0 GFADRO Cc1ccc(Br)c(C(=O)N2CCN(c3cc[nH+]cc3)C[C@H]2C)n1 ZINC000829792240 660614461 /nfs/dbraw/zinc/61/44/61/660614461.db2.gz UHCRKNOXUDCKLG-CYBMUJFWSA-N 1 0 375.270 2.898 20 0 GFADRO C[C@H]1C[C@@H](c2ccc(Br)cc2)C[N@@H+]1Cc1nc(N)nc(N(C)C)n1 ZINC000626040910 652380792 /nfs/dbraw/zinc/38/07/92/652380792.db2.gz NQPDOKJIZGLCAL-WCQYABFASA-N 1 0 391.317 2.660 20 0 GFADRO CCN([C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)S(=O)(=O)c1c[nH]nc1Cl ZINC000830150683 660638675 /nfs/dbraw/zinc/63/86/75/660638675.db2.gz LSARYEBUCGRPHW-DZGCQCFKSA-N 1 0 382.917 2.909 20 0 GFADRO CS(=O)(=O)c1cccc(C[NH2+][C@@H]2CCN(c3cccc(Cl)c3)C2=O)c1 ZINC000830285349 660646771 /nfs/dbraw/zinc/64/67/71/660646771.db2.gz DHYURCARELCJFG-QGZVFWFLSA-N 1 0 378.881 2.639 20 0 GFADRO CN(C)C(=O)O[C@@H]1CC[N@H+](C[C@@H](O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000830488118 660659124 /nfs/dbraw/zinc/65/91/24/660659124.db2.gz SDZZJXJSVFJLAK-DGCLKSJQSA-N 1 0 377.268 2.506 20 0 GFADRO CCO[C@@H]1C[C@@H]([NH2+]CC(=O)Nc2nc3c(cccc3OC)s2)[C@@H]1SC ZINC000830447737 660657404 /nfs/dbraw/zinc/65/74/04/660657404.db2.gz FMEQGONLPRHMMF-SIVJFFJCSA-N 1 0 381.523 2.742 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@H](NS(=O)(=O)c2cnc(Cl)c(Br)c2)C1 ZINC000830791681 660680139 /nfs/dbraw/zinc/68/01/39/660680139.db2.gz XHRNGIKAWLDYGA-VHSXEESVSA-N 1 0 396.738 2.649 20 0 GFADRO Cn1cc(Br)c(=O)c(NC(=O)c2ccc(CC[NH+](C)C)cc2)c1 ZINC000831823770 660729894 /nfs/dbraw/zinc/72/98/94/660729894.db2.gz HTYNTUHTBDSAJS-UHFFFAOYSA-N 1 0 378.270 2.504 20 0 GFADRO C[C@@H](NC(=O)[C@@]1(C)CC1(Br)Br)C1=CC[N@H+](C)CC1 ZINC000831936331 660738411 /nfs/dbraw/zinc/73/84/11/660738411.db2.gz LVRJAQFUGXGPEO-BXKDBHETSA-N 1 0 380.124 2.649 20 0 GFADRO [NH3+][C@H](CC(=O)N(CCn1ccnc1)Cc1ccccc1Br)C1CC1 ZINC000832183145 660761152 /nfs/dbraw/zinc/76/11/52/660761152.db2.gz SULFPANBKUJWHW-QGZVFWFLSA-N 1 0 391.313 2.802 20 0 GFADRO CNC(=O)c1cccc(C[N@H+](C)C[C@H](O)c2ccccc2Br)c1 ZINC000832679791 660794715 /nfs/dbraw/zinc/79/47/15/660794715.db2.gz KEOHTSLEUQNZQZ-KRWDZBQOSA-N 1 0 377.282 2.974 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CN(C(=O)COc2ccc(C3SCCCS3)cc2)CCO1 ZINC000834323259 660814254 /nfs/dbraw/zinc/81/42/54/660814254.db2.gz XZOUBBQEKJEPTD-CJNGLKHVSA-N 1 0 382.551 2.509 20 0 GFADRO C[C@@](O)(C[NH2+]C[C@H](O)COc1ccccc1)c1ccc(Br)cc1F ZINC000834363327 660816518 /nfs/dbraw/zinc/81/65/18/660816518.db2.gz ZPECTSRIFQLIED-KBXCAEBGSA-N 1 0 398.272 2.825 20 0 GFADRO C[C@@](O)(C[NH2+]C[C@@H](O)COc1ccccc1)c1ccc(Br)cc1F ZINC000834363331 660816546 /nfs/dbraw/zinc/81/65/46/660816546.db2.gz ZPECTSRIFQLIED-RDTXWAMCSA-N 1 0 398.272 2.825 20 0 GFADRO C[C@@H]([NH2+]CCCN1CCOC1=O)c1ccc(F)c(I)c1 ZINC000834562135 660824901 /nfs/dbraw/zinc/82/49/01/660824901.db2.gz CZFISCMATCPLTR-SNVBAGLBSA-N 1 0 392.212 2.923 20 0 GFADRO C[C@H](CC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1)n1cc(Br)cn1 ZINC000834718649 660831106 /nfs/dbraw/zinc/83/11/06/660831106.db2.gz HTBLMANTMSSJFL-UHOFOFEASA-N 1 0 377.286 2.550 20 0 GFADRO CC1([NH+]2CCC2)CCC(NC(=O)c2cc(S(C)(=O)=O)ccc2Cl)CC1 ZINC000834803939 660833488 /nfs/dbraw/zinc/83/34/88/660833488.db2.gz HDRZUAVRTGORBW-UHFFFAOYSA-N 1 0 384.929 2.880 20 0 GFADRO C[C@H]([NH3+])[C@H](C)NC(=O)c1cnn(-c2ncccc2Cl)c1C(F)(F)Cl ZINC000834821366 660834204 /nfs/dbraw/zinc/83/42/04/660834204.db2.gz OMMXCPUNWDTZJJ-YUMQZZPRSA-N 1 0 378.210 2.674 20 0 GFADRO C[C@@H]([NH2+][C@@H](C)CC(C)(C)C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000834909089 660837492 /nfs/dbraw/zinc/83/74/92/660837492.db2.gz KRQWPRDMZCJWOZ-UONOGXRCSA-N 1 0 390.571 2.888 20 0 GFADRO CC[C@H]([NH2+]CCS(=O)(=O)C(C)(C)C)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000834646073 660828686 /nfs/dbraw/zinc/82/86/86/660828686.db2.gz WDEKFIVGLGNLDK-LSDHHAIUSA-N 1 0 376.563 2.967 20 0 GFADRO CCC[N@@H+]1CC[C@H](CNC(=O)N(C)C[C@@H](O)c2ccccc2Br)C1 ZINC000836325455 660899739 /nfs/dbraw/zinc/89/97/39/660899739.db2.gz BTGYPGKJYMYXFL-RHSMWYFYSA-N 1 0 398.345 2.856 20 0 GFADRO C[C@@H](CNC(=O)NC[C@H](O)c1ccccc1Br)C[NH+]1CCCCC1 ZINC000836345322 660900721 /nfs/dbraw/zinc/90/07/21/660900721.db2.gz LBTPPJAYDAQKJU-YOEHRIQHSA-N 1 0 398.345 2.904 20 0 GFADRO Cc1c(Br)nccc1NC(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000836679452 660926850 /nfs/dbraw/zinc/92/68/50/660926850.db2.gz DRXHJXUIHPAQKW-CABCVRRESA-N 1 0 397.317 2.652 20 0 GFADRO Cc1c(Br)nccc1NC(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000836678011 660925667 /nfs/dbraw/zinc/92/56/67/660925667.db2.gz MQHCAFOSVHSGFD-CQSZACIVSA-N 1 0 397.317 2.917 20 0 GFADRO Cc1c(Br)nccc1NC(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000836680914 660927761 /nfs/dbraw/zinc/92/77/61/660927761.db2.gz HIGGRJUVTKXRBX-AWEZNQCLSA-N 1 0 397.317 2.729 20 0 GFADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)Nc1ccc(Br)c(C2CC2)n1 ZINC000836686151 660929524 /nfs/dbraw/zinc/92/95/24/660929524.db2.gz XBVWHWZSUMLDDR-OLZOCXBDSA-N 1 0 395.301 2.706 20 0 GFADRO C[NH+](C)CCn1nccc1NC(=O)NC[C@@H](O)c1ccc(Cl)cc1Cl ZINC000836699988 660933078 /nfs/dbraw/zinc/93/30/78/660933078.db2.gz LKEGUVKKYSMTJK-CQSZACIVSA-N 1 0 386.283 2.607 20 0 GFADRO Cc1cc(Br)nc(NC(=O)N2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000836758984 660938376 /nfs/dbraw/zinc/93/83/76/660938376.db2.gz GIIJYLRNDAKFFN-UHFFFAOYSA-N 1 0 376.258 2.902 20 0 GFADRO CC[C@H]1CCCC[N@@H+]1CC(=O)NCC(=O)Nc1ccccc1Br ZINC000023694911 654539931 /nfs/dbraw/zinc/53/99/31/654539931.db2.gz AGHRGQVJIMNADD-ZDUSSCGKSA-N 1 0 382.302 2.768 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)CN1C(=O)CSc2ccccc21)c1ccsc1 ZINC000025330703 654548541 /nfs/dbraw/zinc/54/85/41/654548541.db2.gz OYAWPWMBABABHY-OAHLLOKOSA-N 1 0 375.519 2.606 20 0 GFADRO C[C@@H](CNS(=O)(=O)c1ccccc1Br)[N@@H+]1CCCC[C@@H]1C ZINC000032440965 654603159 /nfs/dbraw/zinc/60/31/59/654603159.db2.gz CILHVZDSEGJQBK-STQMWFEESA-N 1 0 375.332 2.990 20 0 GFADRO C[C@@H](CNS(=O)(=O)c1ccc(Br)cc1)[N@@H+]1CCCC[C@@H]1C ZINC000032440955 654603186 /nfs/dbraw/zinc/60/31/86/654603186.db2.gz BCDKDRCLPHJBLJ-STQMWFEESA-N 1 0 375.332 2.990 20 0 GFADRO C[C@@H](CNC(=O)CN1C(=S)N=NC1c1cccs1)[N@@H+]1CCCC[C@@H]1C ZINC000032729464 654608158 /nfs/dbraw/zinc/60/81/58/654608158.db2.gz LQKGXVDKTZRNLC-STQMWFEESA-N 1 0 379.555 2.674 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1CCCNS(=O)(=O)c1cccc(Br)c1 ZINC000037388892 654614955 /nfs/dbraw/zinc/61/49/55/654614955.db2.gz GQONAHXQRZVDSC-CYBMUJFWSA-N 1 0 375.332 2.992 20 0 GFADRO CC(C)(C[NH+]1CCCC1)NC(=O)COc1ccc(C=O)cc1Br ZINC000837171791 660975474 /nfs/dbraw/zinc/97/54/74/660975474.db2.gz GYIIYGSZWMSXTK-UHFFFAOYSA-N 1 0 383.286 2.631 20 0 GFADRO C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)Nc2cccc(Cl)c2Cl)C[C@H](C)O1 ZINC000041275658 654625299 /nfs/dbraw/zinc/62/52/99/654625299.db2.gz ASRFEKZGSKTAKM-TXEJJXNPSA-N 1 0 388.295 2.547 20 0 GFADRO Cc1ccc(NC(=O)C(=O)NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)c(Br)c1 ZINC000041652155 654628826 /nfs/dbraw/zinc/62/88/26/654628826.db2.gz NDJZQDQESKPIIR-UONOGXRCSA-N 1 0 396.329 2.933 20 0 GFADRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1nscc1I ZINC000906390022 663944435 /nfs/dbraw/zinc/94/44/35/663944435.db2.gz OOKDQSBXXFNPHU-VHSXEESVSA-N 1 0 393.294 2.598 20 0 GFADRO CC(C)[C@@H](CNC(=S)NCCSc1ccccc1)[NH+]1CCN(C)CC1 ZINC000042668545 654641911 /nfs/dbraw/zinc/64/19/11/654641911.db2.gz CRISMAGIMMIVHS-GOSISDBHSA-N 1 0 380.627 2.515 20 0 GFADRO CCCNC(=O)C1CC[NH+](C[C@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000042761037 654643866 /nfs/dbraw/zinc/64/38/66/654643866.db2.gz FWZGBDMUOPGSKK-HNNXBMFYSA-N 1 0 389.323 2.971 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)NNC(=O)Cc1ccc(Cl)cc1)c1cccs1 ZINC000043145658 654647955 /nfs/dbraw/zinc/64/79/55/654647955.db2.gz LORWUPRNWBPAJA-CQSZACIVSA-N 1 0 380.901 2.577 20 0 GFADRO CC[NH+]1CCN(CCNC(=S)NCCSc2ccc(Cl)cc2)CC1 ZINC000044158682 654654331 /nfs/dbraw/zinc/65/43/31/654654331.db2.gz STMCQTDZBNUTAH-UHFFFAOYSA-N 1 0 387.018 2.534 20 0 GFADRO Cc1nn(-c2cc(C)ccc2C)c(Cl)c1C[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC000044863108 654664152 /nfs/dbraw/zinc/66/41/52/654664152.db2.gz BGGZZMJKWNWBHT-HNNXBMFYSA-N 1 0 381.929 2.975 20 0 GFADRO CC(C)C[NH+]1CCC(NC(=O)NNC(=O)c2ccccc2Br)CC1 ZINC000045464036 654668887 /nfs/dbraw/zinc/66/88/87/654668887.db2.gz BSSOYKUZEDUTPO-UHFFFAOYSA-N 1 0 397.317 2.514 20 0 GFADRO O=C(c1ccc(F)cc1Br)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000046047386 654674455 /nfs/dbraw/zinc/67/44/55/654674455.db2.gz SPOIZQQFJDXDCM-AWEZNQCLSA-N 1 0 385.277 2.915 20 0 GFADRO CSCCCNC(=S)NCCCN1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000046109456 654675693 /nfs/dbraw/zinc/67/56/93/654675693.db2.gz VCHKDMAXUXHJDX-SFHVURJKSA-N 1 0 380.627 2.582 20 0 GFADRO CSCCCNC(=S)NCCC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000046416695 654680332 /nfs/dbraw/zinc/68/03/32/654680332.db2.gz QKDNUUWVUXALRU-UHFFFAOYSA-N 1 0 380.627 2.724 20 0 GFADRO CC[NH+]1CCN([C@H](C)CNC(=O)c2cc(Br)ccc2Cl)CC1 ZINC000046947367 654688201 /nfs/dbraw/zinc/68/82/01/654688201.db2.gz OIISJWDWNQFJTK-GFCCVEGCSA-N 1 0 388.737 2.858 20 0 GFADRO CC[NH+]1CCN([C@@H](C)CNC(=O)c2ccc(C3SCCS3)cc2)CC1 ZINC000046947188 654688258 /nfs/dbraw/zinc/68/82/58/654688258.db2.gz ILKYTAASEUOOAY-HNNXBMFYSA-N 1 0 379.595 2.921 20 0 GFADRO C[C@H]1CCC[N@H+](CCNC(=O)c2ccc(F)cc2I)C1 ZINC000047147592 654690854 /nfs/dbraw/zinc/69/08/54/654690854.db2.gz PDQVCNKGTASUHN-NSHDSACASA-N 1 0 390.240 2.892 20 0 GFADRO C[C@@H](Oc1ccc(Br)cc1)C(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000047432741 654694793 /nfs/dbraw/zinc/69/47/93/654694793.db2.gz UKAKBWJWUJUZEO-RBSFLKMASA-N 1 0 399.329 2.832 20 0 GFADRO CC(=O)NCC1CC[NH+](CC(=O)N(C)Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000052849631 654740753 /nfs/dbraw/zinc/74/07/53/654740753.db2.gz RCZWXYRKDUSDRF-UHFFFAOYSA-N 1 0 386.323 2.800 20 0 GFADRO CC[NH+](CC)[C@@H](CNC(=O)[C@H]1CSCN1C(C)=O)c1ccccc1Cl ZINC000122665036 654741704 /nfs/dbraw/zinc/74/17/04/654741704.db2.gz HLGPIXXVOWVMJF-DLBZAZTESA-N 1 0 383.945 2.761 20 0 GFADRO Cc1ccc(O[C@@H](C)C(=O)NCCCC[NH+]2CCOCC2)c(Br)c1 ZINC000053450623 654746874 /nfs/dbraw/zinc/74/68/74/654746874.db2.gz NSBLZJFAHSIZNH-HNNXBMFYSA-N 1 0 399.329 2.753 20 0 GFADRO C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)NCCCC[NH+]1CCOCC1 ZINC000053450375 654746946 /nfs/dbraw/zinc/74/69/46/654746946.db2.gz SBIAPZZCFHUMRE-CYBMUJFWSA-N 1 0 375.296 2.989 20 0 GFADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3c(Br)nc4n3CCCC4)CC[C@@H]21 ZINC000837476610 661000436 /nfs/dbraw/zinc/00/04/36/661000436.db2.gz OIPAKBQOWLGKMY-OLZOCXBDSA-N 1 0 381.318 2.538 20 0 GFADRO C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)Nc1ccc(Br)cc1F ZINC000123952942 654766945 /nfs/dbraw/zinc/76/69/45/654766945.db2.gz KCAPJQMZPBNGPE-LLVKDONJSA-N 1 0 386.265 2.517 20 0 GFADRO C[C@H]1CCC[N@H+](CCNC(=O)c2c(F)cccc2I)C1 ZINC000123960673 654767213 /nfs/dbraw/zinc/76/72/13/654767213.db2.gz TVIUNEAGKGLCOZ-NSHDSACASA-N 1 0 390.240 2.892 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2nscc2I)C[C@H]1C ZINC000906776590 663970219 /nfs/dbraw/zinc/97/02/19/663970219.db2.gz CVEFRTBCZMNIHX-ZJUUUORDSA-N 1 0 393.294 2.693 20 0 GFADRO O=c1c(Br)nn(C[NH+]2CCC(n3ccnc3)CC2)c2ccccc12 ZINC000124193393 654772004 /nfs/dbraw/zinc/77/20/04/654772004.db2.gz MMPRNGTTZNFGEY-UHFFFAOYSA-N 1 0 388.269 2.650 20 0 GFADRO CC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000055326927 654773258 /nfs/dbraw/zinc/77/32/58/654773258.db2.gz NOIOMTNLLOHWIK-CJNGLKHVSA-N 1 0 396.329 2.649 20 0 GFADRO Cc1sc(C(=O)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)cc1CS(C)(=O)=O ZINC000124498623 654776511 /nfs/dbraw/zinc/77/65/11/654776511.db2.gz SRGMVYYYUDTVBM-KBPBESRZSA-N 1 0 386.583 2.699 20 0 GFADRO CC[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccc(Cl)c(S(=O)(=O)N(C)C)c2)C1 ZINC000125118595 654788264 /nfs/dbraw/zinc/78/82/64/654788264.db2.gz VXMAJYYCBIGLKT-QWHCGFSZSA-N 1 0 387.933 2.649 20 0 GFADRO COc1ccc(Br)cc1S(=O)(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000125396874 654793455 /nfs/dbraw/zinc/79/34/55/654793455.db2.gz NQECGCUYNFMSCF-NSHDSACASA-N 1 0 393.347 2.712 20 0 GFADRO C[C@H](CNC(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1)[NH+]1CCCCC1 ZINC000056560675 654797035 /nfs/dbraw/zinc/79/70/35/654797035.db2.gz LBRZUUJPGBXCLZ-GFCCVEGCSA-N 1 0 375.441 2.679 20 0 GFADRO Cc1ccc(I)cc1C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000125610216 654799418 /nfs/dbraw/zinc/79/94/18/654799418.db2.gz NRNDQSBOPCIRSX-UHFFFAOYSA-N 1 0 384.261 2.956 20 0 GFADRO CN1CC[NH+](CC2CCN(C(=O)c3csc(Br)c3)CC2)CC1 ZINC000057066712 654799302 /nfs/dbraw/zinc/79/93/02/654799302.db2.gz HHNRMEFKINFDEZ-UHFFFAOYSA-N 1 0 386.359 2.610 20 0 GFADRO C[C@H]1CCCC[N@@H+]1CCNC(=O)Nc1ccc(NS(C)(=O)=O)c(Cl)c1 ZINC000125796730 654802240 /nfs/dbraw/zinc/80/22/40/654802240.db2.gz AJPSRRVHJDVTQU-LBPRGKRZSA-N 1 0 388.921 2.707 20 0 GFADRO O=C(CCNC(=O)NCC[NH+]1CCCCC1)Nc1ccc(Br)cc1 ZINC000057198086 654802926 /nfs/dbraw/zinc/80/29/26/654802926.db2.gz HEHBMBVEZCJTKG-UHFFFAOYSA-N 1 0 397.317 2.563 20 0 GFADRO C[C@H](CNC(=O)c1ccc(F)cc1I)[N@H+](C)C1CC1 ZINC000057708988 654808799 /nfs/dbraw/zinc/80/87/99/654808799.db2.gz GIKQOQRLXKNINY-SECBINFHSA-N 1 0 376.213 2.643 20 0 GFADRO O=C(N[C@H]1CC[NH2+]C1)c1nn(-c2ccc(Br)cc2)c2c1CCCC2 ZINC000126260194 654811871 /nfs/dbraw/zinc/81/18/71/654811871.db2.gz PWVAVWKDICMHQK-ZDUSSCGKSA-N 1 0 389.297 2.605 20 0 GFADRO Cc1cc(S(=O)(=O)NC[C@@H](C)C[NH+]2CCCC2)ccc1Br ZINC000058118421 654815697 /nfs/dbraw/zinc/81/56/97/654815697.db2.gz OFYDIOAZJMBEBU-GFCCVEGCSA-N 1 0 375.332 2.768 20 0 GFADRO O=C(N[C@H]1CC[NH2+]C1)c1cnn(-c2ncc(Cl)cc2Cl)c1C(F)(F)F ZINC000127425694 654829859 /nfs/dbraw/zinc/82/98/59/654829859.db2.gz LJUQJOMBNVNASE-QMMMGPOBSA-N 1 0 394.184 2.685 20 0 GFADRO O=S(=O)(NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1ccc(Cl)cc1F ZINC000127516691 654831167 /nfs/dbraw/zinc/83/11/67/654831167.db2.gz AYKNBWYUCBJQPL-HOTGVXAUSA-N 1 0 390.908 2.525 20 0 GFADRO C[NH+]1CCN(Cc2cccc(NC(=O)c3cccnc3Br)c2)CC1 ZINC000127529382 654831458 /nfs/dbraw/zinc/83/14/58/654831458.db2.gz LBONGCMDBDOYSG-UHFFFAOYSA-N 1 0 389.297 2.844 20 0 GFADRO Cc1cc(Br)cc(C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)c1 ZINC000127958129 654838413 /nfs/dbraw/zinc/83/84/13/654838413.db2.gz NYSWZZKYWNUBEI-CQSZACIVSA-N 1 0 381.314 2.988 20 0 GFADRO C[NH+]1CCN(CCCNC(=O)CCCOc2ccc(Cl)cc2Cl)CC1 ZINC000061524817 654840015 /nfs/dbraw/zinc/84/00/15/654840015.db2.gz CGINXIDZOIPDJL-UHFFFAOYSA-N 1 0 388.339 2.906 20 0 GFADRO Cc1ccc(Br)c(S(=O)(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)c1 ZINC000128382139 654845080 /nfs/dbraw/zinc/84/50/80/654845080.db2.gz DGMBYOVPVXLICF-ZFWWWQNUSA-N 1 0 387.343 2.862 20 0 GFADRO CCC[N@H+](CCC(=O)Nc1cc(Cl)ccc1OC)[C@@H]1CCS(=O)(=O)C1 ZINC000063496967 654853264 /nfs/dbraw/zinc/85/32/64/654853264.db2.gz JAFWSVYAPWKSOZ-CQSZACIVSA-N 1 0 388.917 2.576 20 0 GFADRO CC(C)[N@H+](C)CCCNC(=O)CN1C(=S)N=NC1c1ccc(Cl)cc1 ZINC000063738315 654857125 /nfs/dbraw/zinc/85/71/25/654857125.db2.gz OWGFBJFFUJLZFP-UHFFFAOYSA-N 1 0 381.933 2.734 20 0 GFADRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2Cn2c3cc(Br)ccc3oc2=O)C1 ZINC000129282393 654861784 /nfs/dbraw/zinc/86/17/84/654861784.db2.gz ZUZQKQWYRIOLJQ-TZMCWYRMSA-N 1 0 380.286 2.731 20 0 GFADRO C[C@@H]1C[C@@H](N(C)S(=O)(=O)c2ccc(Br)c(F)c2)CC[N@@H+]1C ZINC000266218742 654864060 /nfs/dbraw/zinc/86/40/60/654864060.db2.gz RWIAYJQQGULPLV-MNOVXSKESA-N 1 0 379.295 2.691 20 0 GFADRO O=C(NCC1([NH+]2CCCC2)CCOCC1)c1ccc(F)c(Br)c1 ZINC000266314986 654871444 /nfs/dbraw/zinc/87/14/44/654871444.db2.gz GZJQSQSMYJJLSY-UHFFFAOYSA-N 1 0 385.277 2.963 20 0 GFADRO Cc1noc([C@@H]2CCC[N@H+](C[C@@H](O)COc3ccc(Br)cc3)C2)n1 ZINC000064638472 654873188 /nfs/dbraw/zinc/87/31/88/654873188.db2.gz FBYIBHIKUUGPBU-UKRRQHHQSA-N 1 0 396.285 2.760 20 0 GFADRO CC[N@H+](CCC(=O)Nc1ccc(Br)cc1F)CCC(=O)OC ZINC000064694387 654874306 /nfs/dbraw/zinc/87/43/06/654874306.db2.gz ROTUPPWBMMICNS-UHFFFAOYSA-N 1 0 375.238 2.802 20 0 GFADRO CCN1CC[NH+](CCCCNC(=O)COc2cc(Cl)cc(Cl)c2)CC1 ZINC000266359470 654874772 /nfs/dbraw/zinc/87/47/72/654874772.db2.gz ZEOOTYGCBSGPHK-UHFFFAOYSA-N 1 0 388.339 2.906 20 0 GFADRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2cc(F)ccc2I)C1 ZINC000266458513 654880105 /nfs/dbraw/zinc/88/01/05/654880105.db2.gz ZBNJSECCOMRPLL-LLVKDONJSA-N 1 0 390.240 2.844 20 0 GFADRO COCCC[N@H+](C)CCNC(=O)N(C)Cc1cc(Br)cs1 ZINC000266460526 654880444 /nfs/dbraw/zinc/88/04/44/654880444.db2.gz DLNJSSJHGYCPAK-UHFFFAOYSA-N 1 0 378.336 2.620 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)C(=O)NC[C@H](C)[NH+]1CCC(C)CC1 ZINC000065601901 654881855 /nfs/dbraw/zinc/88/18/55/654881855.db2.gz UHSOXKFVAUYWFU-AWEZNQCLSA-N 1 0 396.329 2.933 20 0 GFADRO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NCCc1ccccc1Br ZINC000266554229 654884828 /nfs/dbraw/zinc/88/48/28/654884828.db2.gz MQVRDUWHJXOOJQ-KRWDZBQOSA-N 1 0 383.330 2.901 20 0 GFADRO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NC[C@H](O)c1c(Cl)cccc1Cl ZINC000266555486 654885181 /nfs/dbraw/zinc/88/51/81/654885181.db2.gz IVTYTLOICIGUAU-RDJZCZTQSA-N 1 0 389.323 2.936 20 0 GFADRO C[C@H](NC(=O)C[C@@H]1CC[NH2+]C1)c1nc(-c2ccc(Br)cc2)no1 ZINC000130253466 654886006 /nfs/dbraw/zinc/88/60/06/654886006.db2.gz PDSGVQIUEUFMQB-QWRGUYRKSA-N 1 0 379.258 2.676 20 0 GFADRO CC[C@H](C)[N@H+](C)CCNC(=O)c1nnn(-c2cccc(Br)c2)c1C ZINC000066124880 654895385 /nfs/dbraw/zinc/89/53/85/654895385.db2.gz OHPZXEVWGRPDGB-LBPRGKRZSA-N 1 0 394.317 2.798 20 0 GFADRO CC[NH+]1CCN([C@H](C)CNC(=O)[C@@H](C)Oc2cc(Cl)cc(Cl)c2)CC1 ZINC000066147276 654895828 /nfs/dbraw/zinc/89/58/28/654895828.db2.gz ATJLIBDDBISGHY-ZIAGYGMSSA-N 1 0 388.339 2.903 20 0 GFADRO O=C(NCCOc1ccc(Br)cc1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000066191144 654896323 /nfs/dbraw/zinc/89/63/23/654896323.db2.gz AKQXOSBFCJGLSY-HNNXBMFYSA-N 1 0 382.302 2.708 20 0 GFADRO O=C(Nc1cc2c(cc1Br)OCCO2)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000066158284 654896397 /nfs/dbraw/zinc/89/63/97/654896397.db2.gz JMZJPMCRFSXUSO-LBPRGKRZSA-N 1 0 396.285 2.922 20 0 GFADRO CCN(CCC[NH2+][C@@H](C)c1ccc(Br)c(F)c1)S(C)(=O)=O ZINC000131231155 654899984 /nfs/dbraw/zinc/89/99/84/654899984.db2.gz RRMWWNLCUZYXDP-NSHDSACASA-N 1 0 381.311 2.910 20 0 GFADRO O[C@H](C[NH2+][C@H]1CCCSC1)COc1ccc(I)cc1 ZINC000131363962 654903522 /nfs/dbraw/zinc/90/35/22/654903522.db2.gz WUEGCCLAJYCJSR-QWHCGFSZSA-N 1 0 393.290 2.516 20 0 GFADRO COc1ccc(CN2CC[NH+](C3CCOCC3)CC2)c(Br)c1OC ZINC000267049356 654907148 /nfs/dbraw/zinc/90/71/48/654907148.db2.gz QJYOKDONYGERFL-UHFFFAOYSA-N 1 0 399.329 2.763 20 0 GFADRO C[C@H](c1ccc(Br)cc1)N1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000131507671 654908609 /nfs/dbraw/zinc/90/86/09/654908609.db2.gz NBKWCZRYHLSRND-CXAGYDPISA-N 1 0 380.330 2.924 20 0 GFADRO C[NH+]1CCC(O)(CNC(=O)/C=C/c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000267093295 654910278 /nfs/dbraw/zinc/91/02/78/654910278.db2.gz KRXNXBGLSGZXMI-GORDUTHDSA-N 1 0 376.806 2.945 20 0 GFADRO CC(=O)Nc1ccc(S(=O)(=O)N2CC[C@H]([NH+]3CCCCC3)C2)cc1Cl ZINC000267161447 654914436 /nfs/dbraw/zinc/91/44/36/654914436.db2.gz GTFBYZYDEVIBOJ-AWEZNQCLSA-N 1 0 385.917 2.547 20 0 GFADRO C[NH+](C)[C@@]1(CNC(=O)N[C@@H](c2nccs2)c2ccccc2)CCSC1 ZINC000267189793 654915950 /nfs/dbraw/zinc/91/59/50/654915950.db2.gz OHNYOZQHTCAKTH-CRAIPNDOSA-N 1 0 376.551 2.969 20 0 GFADRO O=C(NCCCC[NH+]1CCOCC1)c1ccc(Br)c(Cl)c1 ZINC000131760459 654917037 /nfs/dbraw/zinc/91/70/37/654917037.db2.gz XQDKHDGDGAEASF-UHFFFAOYSA-N 1 0 375.694 2.945 20 0 GFADRO CSc1ccc(Cl)cc1NC(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000267230511 654919213 /nfs/dbraw/zinc/91/92/13/654919213.db2.gz AGSICBAKRUVEDB-MRXNPFEDSA-N 1 0 387.958 2.554 20 0 GFADRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)Nc1ccccc1Br ZINC000067398256 654937635 /nfs/dbraw/zinc/93/76/35/654937635.db2.gz QNOOTKZBMXMTOL-QWHCGFSZSA-N 1 0 382.302 2.624 20 0 GFADRO CC(=O)NC[C@H]1CCC[N@H+](CC(=O)NCCc2cccc(Cl)c2Cl)C1 ZINC000067412892 654938734 /nfs/dbraw/zinc/93/87/34/654938734.db2.gz OOGMYMDVIUDWLR-CQSZACIVSA-N 1 0 386.323 2.500 20 0 GFADRO Cc1ccc(NC(=O)C(=O)NC[C@@H]2CC[N@@H+](C(C)C)C2)cc1Br ZINC000067782072 654945630 /nfs/dbraw/zinc/94/56/30/654945630.db2.gz SQHWEWZXKRYSMF-ZDUSSCGKSA-N 1 0 382.302 2.543 20 0 GFADRO COc1c(Cl)cc(NC(=O)C(=O)N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cc1Cl ZINC000267890009 654950408 /nfs/dbraw/zinc/95/04/08/654950408.db2.gz IJIYIZNDEZTJBO-KOLCDFICSA-N 1 0 386.279 2.682 20 0 GFADRO C[C@H](CNC(=O)CNC(=O)c1ccc(Cl)cc1Cl)C[NH+]1CCCCC1 ZINC000068115446 654955257 /nfs/dbraw/zinc/95/52/57/654955257.db2.gz ZDPPSDKJIDYHCK-CYBMUJFWSA-N 1 0 386.323 2.961 20 0 GFADRO CCC[NH+]1CCC(CNC(=O)CNC(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000133281281 654959176 /nfs/dbraw/zinc/95/91/76/654959176.db2.gz CKLFRQDFXDBTHK-UHFFFAOYSA-N 1 0 386.323 2.961 20 0 GFADRO O[C@@H](COCc1ccccc1Cl)C[N@@H+]1CCCN(c2nccs2)CC1 ZINC000068301772 654959554 /nfs/dbraw/zinc/95/95/54/654959554.db2.gz ZUKUJXNQMIRRIJ-MRXNPFEDSA-N 1 0 381.929 2.886 20 0 GFADRO C[NH+](C)Cc1ccsc1C(=O)N1CCN(Cc2ccc(Cl)nc2)CC1 ZINC000268125109 654959839 /nfs/dbraw/zinc/95/98/39/654959839.db2.gz OFCXVVLMIZHMKX-UHFFFAOYSA-N 1 0 378.929 2.816 20 0 GFADRO Cc1ccc(-n2cnnc2SCC(=O)N[C@@H](C)CC[NH+](C)C)cc1Cl ZINC000068470012 654963612 /nfs/dbraw/zinc/96/36/12/654963612.db2.gz RRSIMSPLHQNJMJ-ZDUSSCGKSA-N 1 0 381.933 2.778 20 0 GFADRO COc1ccc(Br)cc1C(=O)CCC(=O)N[C@H](C)CC[NH+](C)C ZINC000068474389 654963743 /nfs/dbraw/zinc/96/37/43/654963743.db2.gz BTBRRAKZFFRQFC-GFCCVEGCSA-N 1 0 385.302 2.877 20 0 GFADRO O=C([C@@H]1CCC(=O)N1)N(CC[NH+]1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC000068476715 654963834 /nfs/dbraw/zinc/96/38/34/654963834.db2.gz SCXJEZGMFGELAX-INIZCTEOSA-N 1 0 384.307 2.696 20 0 GFADRO O=C([C@H]1COCCO1)N(CC[NH+]1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC000068476667 654963978 /nfs/dbraw/zinc/96/39/78/654963978.db2.gz WVDUXAMZEWLPDB-QGZVFWFLSA-N 1 0 387.307 2.833 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)c1ccc(F)c(I)c1)C1CC1 ZINC000133509595 654965335 /nfs/dbraw/zinc/96/53/35/654965335.db2.gz JLFKUTPBZVRSEM-ZDUSSCGKSA-N 1 0 376.213 2.500 20 0 GFADRO C[NH+](C)CCCCCOC(=O)c1sccc1S(=O)(=O)N1CCCCC1 ZINC000133566416 654967629 /nfs/dbraw/zinc/96/76/29/654967629.db2.gz CFVLZVNOXOSTHL-UHFFFAOYSA-N 1 0 388.555 2.811 20 0 GFADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cc(C)sc3Br)C2)CC1 ZINC000268425134 654970746 /nfs/dbraw/zinc/97/07/46/654970746.db2.gz YNIMGYDCRFAONX-CYBMUJFWSA-N 1 0 386.359 2.671 20 0 GFADRO COC(=O)c1ccc(S(=O)(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)cc1Cl ZINC000133711690 654971372 /nfs/dbraw/zinc/97/13/72/654971372.db2.gz STFYXASKRAQUOA-CYBMUJFWSA-N 1 0 388.917 2.622 20 0 GFADRO CC[C@H](C[NH+]1CCCC1)NC(=O)NC[C@@H](O)c1ccccc1Br ZINC000838516725 661048542 /nfs/dbraw/zinc/04/85/42/661048542.db2.gz DIHCPEZVSCWMRC-CZUORRHYSA-N 1 0 384.318 2.656 20 0 GFADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)CCc1ccc(Br)cc1F ZINC000069502750 654982165 /nfs/dbraw/zinc/98/21/65/654982165.db2.gz BONSVCZSPFJAIX-HNNXBMFYSA-N 1 0 387.293 2.748 20 0 GFADRO C[C@H]([NH2+]C1CCN(CC(=O)N(C)C)CC1)c1cc(Br)ccc1F ZINC000268913634 654991052 /nfs/dbraw/zinc/99/10/52/654991052.db2.gz NIKMLQFDOHOQAL-LBPRGKRZSA-N 1 0 386.309 2.791 20 0 GFADRO NC(=O)[C@@H]1CCCN1CCC[NH2+][C@@H]1CCCOc2ccc(Br)cc21 ZINC000268945635 654992341 /nfs/dbraw/zinc/99/23/41/654992341.db2.gz UFNQXEBZNXERQX-CVEARBPZSA-N 1 0 396.329 2.592 20 0 GFADRO O=C(NCc1ccccc1Br)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000268947406 654992439 /nfs/dbraw/zinc/99/24/39/654992439.db2.gz BTJOPINYITVIIE-IRXDYDNUSA-N 1 0 396.329 2.626 20 0 GFADRO CC[C@@]1(C(=O)N(C)CC(=O)Nc2ccc(Br)cc2C)CCC[NH2+]1 ZINC000134379100 654992644 /nfs/dbraw/zinc/99/26/44/654992644.db2.gz FIVRNCPXLVLZCC-KRWDZBQOSA-N 1 0 382.302 2.687 20 0 GFADRO C[C@H](COCC(F)(F)F)[NH2+][C@H](C)c1cccc(N2CCCS2(=O)=O)c1 ZINC000269021906 654995563 /nfs/dbraw/zinc/99/55/63/654995563.db2.gz PVGZIAZGZJAIPR-CHWSQXEVSA-N 1 0 380.432 2.845 20 0 GFADRO C[C@H]([NH2+]C[C@@H](O)COc1ccc(Br)cc1)c1nnc2ccccn21 ZINC000070869412 654996356 /nfs/dbraw/zinc/99/63/56/654996356.db2.gz FVDHFIBKIDRCFN-GXTWGEPZSA-N 1 0 391.269 2.582 20 0 GFADRO Cc1ccc(S(=O)(=O)NCC[N@@H+](C)C2CCCC2)c(Br)c1 ZINC000071379922 655000067 /nfs/dbraw/zinc/00/00/67/655000067.db2.gz SNJNFXQSNYKPBT-UHFFFAOYSA-N 1 0 375.332 2.910 20 0 GFADRO O=C(Nc1cccc(Br)c1)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000269177018 655000714 /nfs/dbraw/zinc/00/07/14/655000714.db2.gz ISVHVZATMKQSGA-HOTGVXAUSA-N 1 0 382.302 2.948 20 0 GFADRO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000269236795 655002618 /nfs/dbraw/zinc/00/26/18/655002618.db2.gz WXRGZIAULDHAIR-NOZJJQNGSA-N 1 0 379.254 2.673 20 0 GFADRO [NH3+]C[C@H](C(=O)NCc1cc(Br)c2c(c1)OCCO2)c1ccccc1 ZINC000269246915 655002823 /nfs/dbraw/zinc/00/28/23/655002823.db2.gz KURPICBEMXIXCB-AWEZNQCLSA-N 1 0 391.265 2.579 20 0 GFADRO O=S(=O)(c1ccc2nc(Cl)cnc2c1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000269453301 655009900 /nfs/dbraw/zinc/00/99/00/655009900.db2.gz WDKXSFJSOQZZNC-CYBMUJFWSA-N 1 0 380.901 2.532 20 0 GFADRO COCCCNC(=O)C1CC[NH+](C[C@H](O)c2ccc(Cl)cc2Cl)CC1 ZINC000135114759 655010197 /nfs/dbraw/zinc/01/01/97/655010197.db2.gz AFVSPGHOMDWUBX-KRWDZBQOSA-N 1 0 389.323 2.892 20 0 GFADRO Brc1ccc2ncc(CN3CCC[C@@H](C[NH+]4CCOCC4)C3)n2c1 ZINC000093017084 655016732 /nfs/dbraw/zinc/01/67/32/655016732.db2.gz ZICFOEUOSOOYMW-HNNXBMFYSA-N 1 0 393.329 2.641 20 0 GFADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)Cc1csc2ccc(Cl)cc12 ZINC000269747965 655019910 /nfs/dbraw/zinc/01/99/10/655019910.db2.gz OUSPSLXYUAVEHX-HNNXBMFYSA-N 1 0 379.913 2.553 20 0 GFADRO Cc1cc(CN2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)sc1Br ZINC000093821147 655021365 /nfs/dbraw/zinc/02/13/65/655021365.db2.gz VQJUUCLRIHQCRY-CQSZACIVSA-N 1 0 386.359 2.557 20 0 GFADRO C[C@@H]1CCC[N@@H+]1C1CCN(S(=O)(=O)c2c[nH]c3nccc(Cl)c23)CC1 ZINC000093926718 655024655 /nfs/dbraw/zinc/02/46/55/655024655.db2.gz NNOIDXWOJOHGRG-GFCCVEGCSA-N 1 0 382.917 2.854 20 0 GFADRO O=C(CC[NH+]1CCN(Cc2ccc(Br)s2)CC1)N1CCCC1 ZINC000838789930 661057141 /nfs/dbraw/zinc/05/71/41/661057141.db2.gz DGSMPLAHYGRKBI-UHFFFAOYSA-N 1 0 386.359 2.641 20 0 GFADRO O=C(NCCCC[N@H+]1CCC[C@@H]1CO)Nc1cc(F)ccc1Br ZINC000136403567 655030823 /nfs/dbraw/zinc/03/08/23/655030823.db2.gz WZUGDHKWJSYFTO-CYBMUJFWSA-N 1 0 388.281 2.947 20 0 GFADRO CC1CC[NH+](C[C@H](O)CNC(=O)Nc2cc(F)ccc2Br)CC1 ZINC000136441409 655031422 /nfs/dbraw/zinc/03/14/22/655031422.db2.gz KYGQZUHDXFUBGC-CYBMUJFWSA-N 1 0 388.281 2.803 20 0 GFADRO CN(CC[NH+](C)C)C(=O)Nc1cnc(Br)c(Br)c1 ZINC000136523539 655032770 /nfs/dbraw/zinc/03/27/70/655032770.db2.gz GTLOCNOVOOJMBV-UHFFFAOYSA-N 1 0 380.084 2.632 20 0 GFADRO C[NH+]1CCN(Cc2cccc(NC(=O)c3cccc(Br)n3)c2)CC1 ZINC000136641061 655034009 /nfs/dbraw/zinc/03/40/09/655034009.db2.gz QPCFYAXNCSXSKN-UHFFFAOYSA-N 1 0 389.297 2.844 20 0 GFADRO C[NH+](C)C1(CNC(=O)c2ccc(Br)cc2-n2cncn2)CCCC1 ZINC000270202171 655037300 /nfs/dbraw/zinc/03/73/00/655037300.db2.gz CNHGMBQKQRRRSX-UHFFFAOYSA-N 1 0 392.301 2.634 20 0 GFADRO C[C@@H]1C[N@@H+](CCCNC(=O)Cc2cc(Br)ccc2F)C[C@H](C)O1 ZINC000137121160 655038023 /nfs/dbraw/zinc/03/80/23/655038023.db2.gz XQXFFLICDLPKPJ-BETUJISGSA-N 1 0 387.293 2.746 20 0 GFADRO COCC1(O)CC[NH+](Cc2ccnc(-c3ccc(Br)cc3)n2)CC1 ZINC000270349483 655041822 /nfs/dbraw/zinc/04/18/22/655041822.db2.gz HIAZVHNNOSIGIU-UHFFFAOYSA-N 1 0 392.297 2.879 20 0 GFADRO CC[NH+](CC)CCOc1ccc(CNC(=O)C2SCCS2)cc1OC ZINC000270546928 655048635 /nfs/dbraw/zinc/04/86/35/655048635.db2.gz ZDCLNINPYHKKAC-UHFFFAOYSA-N 1 0 384.567 2.838 20 0 GFADRO CC[N@H+](CCNC(=O)C[C@H](NC(C)=O)c1ccc(Br)cc1)C1CC1 ZINC000101962062 655049096 /nfs/dbraw/zinc/04/90/96/655049096.db2.gz ALNLXJQBVZTISZ-KRWDZBQOSA-N 1 0 396.329 2.617 20 0 GFADRO CC[N@H+](CCNC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1)C1CC1 ZINC000102066100 655050273 /nfs/dbraw/zinc/05/02/73/655050273.db2.gz GDIZCJUHTMJLLX-UHFFFAOYSA-N 1 0 386.327 2.704 20 0 GFADRO CCc1ccc(S(=O)(=O)N2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)s1 ZINC000102660994 655057404 /nfs/dbraw/zinc/05/74/04/655057404.db2.gz UMEUXQFYTGAAMA-HUUCEWRRSA-N 1 0 386.583 2.820 20 0 GFADRO COc1cc[nH+]c(N2CCN(C(=O)c3cc(Cl)c(N)c(Cl)c3)CC2)c1 ZINC000152653837 655060770 /nfs/dbraw/zinc/06/07/70/655060770.db2.gz OLFPEIUVNDRXEY-UHFFFAOYSA-N 1 0 381.263 2.942 20 0 GFADRO C[NH+](C)CCc1ccc(NC(=O)CCn2cc(Br)ccc2=O)cc1 ZINC000102793008 655060925 /nfs/dbraw/zinc/06/09/25/655060925.db2.gz REHVULKLJYXPLA-UHFFFAOYSA-N 1 0 392.297 2.744 20 0 GFADRO COc1ccc(NC(=[NH2+])NC[C@H](O)COc2ccccc2Br)cc1 ZINC000153202542 655065259 /nfs/dbraw/zinc/06/52/59/655065259.db2.gz YSWPHMUVEMDZDZ-ZDUSSCGKSA-N 1 0 394.269 2.624 20 0 GFADRO COC(=O)CC[N@H+](C[C@H](O)c1ccccc1Br)C1CCOCC1 ZINC000154734764 655078213 /nfs/dbraw/zinc/07/82/13/655078213.db2.gz WEFBTDJXWAUKDT-INIZCTEOSA-N 1 0 386.286 2.527 20 0 GFADRO C[N@@H+]1CC[C@H](CNC(=O)c2ccc(I)cc2Cl)C1 ZINC000104184323 655079293 /nfs/dbraw/zinc/07/92/93/655079293.db2.gz MSJZDHJQWMBQFH-SECBINFHSA-N 1 0 378.641 2.626 20 0 GFADRO O=C(NC1CC[NH+](C2CCCC2)CC1)c1nccn2c(Br)cnc12 ZINC000271392230 655079351 /nfs/dbraw/zinc/07/93/51/655079351.db2.gz MBJRYEGNILREMJ-UHFFFAOYSA-N 1 0 392.301 2.629 20 0 GFADRO Cc1c(C(=O)NC[C@@H]2CC[N@@H+](C)C2)cnn1-c1ccc(Br)cc1 ZINC000104188741 655079539 /nfs/dbraw/zinc/07/95/39/655079539.db2.gz BWAJVPDLWIMXLA-ZDUSSCGKSA-N 1 0 377.286 2.625 20 0 GFADRO CN(C)C(=O)CN1CCC([NH2+][C@H]2CCc3c2cccc3Br)CC1 ZINC000271452172 655081758 /nfs/dbraw/zinc/08/17/58/655081758.db2.gz IIGXHFGPNBAOJF-KRWDZBQOSA-N 1 0 380.330 2.579 20 0 GFADRO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]C[C@H](O)C1CCOCC1 ZINC000271527382 655084230 /nfs/dbraw/zinc/08/42/30/655084230.db2.gz RHBXRIDMCBOCKE-WBMJQRKESA-N 1 0 385.302 2.543 20 0 GFADRO C[N@H+](CCCCCn1cccn1)CC(=O)Nc1ccc(Br)cn1 ZINC000104689448 655084324 /nfs/dbraw/zinc/08/43/24/655084324.db2.gz MEIACTVYZHEWAH-UHFFFAOYSA-N 1 0 380.290 2.781 20 0 GFADRO CC[NH+]1CCC(N(C)S(=O)(=O)c2cc(Cl)c(NC(C)=O)cc2F)CC1 ZINC000104734022 655084789 /nfs/dbraw/zinc/08/47/89/655084789.db2.gz JDSWHCOBKNGBFZ-UHFFFAOYSA-N 1 0 391.896 2.542 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCC[C@@H](C)C1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000155568542 655085717 /nfs/dbraw/zinc/08/57/17/655085717.db2.gz JCROZLHBTNAPEF-IJEWVQPXSA-N 1 0 388.555 2.642 20 0 GFADRO Cc1ncc([C@@H](C)[NH2+]C[C@H](O)COc2ccccc2Br)c(C)n1 ZINC000271564330 655085859 /nfs/dbraw/zinc/08/58/59/655085859.db2.gz XMMAYLATEVWTDO-RISCZKNCSA-N 1 0 380.286 2.946 20 0 GFADRO CC(=O)N[C@H](CC(=O)N1CCC[C@H]([NH+](C)C)C1)c1ccc(Br)cc1 ZINC000105325195 655090538 /nfs/dbraw/zinc/09/05/38/655090538.db2.gz HRDVFGTZBZMVQU-DLBZAZTESA-N 1 0 396.329 2.569 20 0 GFADRO C[N@H+](CCNC(=O)Cc1cc2c(cc1Br)OCCO2)C1CCCC1 ZINC000105337581 655090784 /nfs/dbraw/zinc/09/07/84/655090784.db2.gz XOFQCIGFNSTZGM-UHFFFAOYSA-N 1 0 397.313 2.753 20 0 GFADRO CC[C@@H]([NH2+][C@@H](CC)c1cc(Br)ccc1O)C(=O)N1CCOCC1 ZINC000156281174 655091003 /nfs/dbraw/zinc/09/10/03/655091003.db2.gz WARHRBSEEXXKLQ-LSDHHAIUSA-N 1 0 385.302 2.833 20 0 GFADRO C[N@H+]1CC=C(CNC(=O)C(=O)Nc2cc(Cl)c(Cl)cc2Cl)CC1 ZINC000271810044 655095281 /nfs/dbraw/zinc/09/52/81/655095281.db2.gz BTSPHDAPZQVLCQ-UHFFFAOYSA-N 1 0 376.671 2.963 20 0 GFADRO C[N@@H+](CC(=O)NC(C)(C)C)Cn1ccc(=O)c2cccc(Br)c21 ZINC000105604310 655095742 /nfs/dbraw/zinc/09/57/42/655095742.db2.gz VMXJZZNTRFFLCG-UHFFFAOYSA-N 1 0 380.286 2.568 20 0 GFADRO CC(=O)NC[C@@H]1CCC[N@H+](Cn2ccc(=O)c3cccc(Br)c32)C1 ZINC000105604509 655095843 /nfs/dbraw/zinc/09/58/43/655095843.db2.gz ISFGIQFRYVGWRN-AWEZNQCLSA-N 1 0 392.297 2.570 20 0 GFADRO C[N@H+]1CC=C(CNC(=O)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000271821564 655095832 /nfs/dbraw/zinc/09/58/32/655095832.db2.gz CZMSPCKLCWVFMV-UHFFFAOYSA-N 1 0 375.778 2.675 20 0 GFADRO O=S1(=O)CC[C@]2(C1)C[C@@H]([NH2+]Cc1cc(Cl)cc3cccnc31)CCO2 ZINC000271975332 655099788 /nfs/dbraw/zinc/09/97/88/655099788.db2.gz ILDZSHVHBSYWCA-FUHWJXTLSA-N 1 0 380.897 2.714 20 0 GFADRO CC(C)C[C@@](C)(C[NH3+])NC(=O)[C@@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000157382177 655100497 /nfs/dbraw/zinc/10/04/97/655100497.db2.gz ZKHAFQDHIVRKRW-ACJLOTCBSA-N 1 0 396.329 2.682 20 0 GFADRO CC(C)C[C@](C)(C[NH3+])NC(=O)[C@@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000157382335 655100541 /nfs/dbraw/zinc/10/05/41/655100541.db2.gz ZKHAFQDHIVRKRW-FZKQIMNGSA-N 1 0 396.329 2.682 20 0 GFADRO Cc1ccc(C[NH2+][C@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)cc1Br ZINC000272092458 655102546 /nfs/dbraw/zinc/10/25/46/655102546.db2.gz TUOPKPSAANMYNG-HOCLYGCPSA-N 1 0 388.327 2.583 20 0 GFADRO CCOc1cc(Br)c(CC(=O)N2CC[C@H]([C@H](C)[NH3+])C2)cc1OCC ZINC000272217268 655106067 /nfs/dbraw/zinc/10/60/67/655106067.db2.gz IILVTUYWFOHSFF-STQMWFEESA-N 1 0 399.329 2.985 20 0 GFADRO Cc1c(I)cccc1C(=O)N1CC[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000272413287 655111740 /nfs/dbraw/zinc/11/17/40/655111740.db2.gz FWECNVMYJVTMTG-DOMZBBRYSA-N 1 0 384.261 2.766 20 0 GFADRO COc1cc(C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)cc(OC)c1Br ZINC000272461099 655113574 /nfs/dbraw/zinc/11/35/74/655113574.db2.gz KICSVUBWTJZHLP-AAEUAGOBSA-N 1 0 383.286 2.633 20 0 GFADRO Cc1c(Br)cccc1NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000106963334 655115736 /nfs/dbraw/zinc/11/57/36/655115736.db2.gz FMFLPWXKLHABGI-CYBMUJFWSA-N 1 0 394.313 2.829 20 0 GFADRO COc1cc(C(=O)NCC2(C)CC[NH+](C)CC2)cc(OC)c1Br ZINC000272548323 655116085 /nfs/dbraw/zinc/11/60/85/655116085.db2.gz LSJDMDLHUUFWOJ-UHFFFAOYSA-N 1 0 385.302 2.928 20 0 GFADRO O=C(Cc1ccc(Cl)cc1Br)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160085891 655119239 /nfs/dbraw/zinc/11/92/39/655119239.db2.gz ICQRYBANDFAEKX-AWEZNQCLSA-N 1 0 389.721 2.608 20 0 GFADRO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)Cc2cccc(Br)c2)CC1 ZINC000107284081 655119594 /nfs/dbraw/zinc/11/95/94/655119594.db2.gz CNIRVCRZRUGXLJ-SFHVURJKSA-N 1 0 394.357 2.620 20 0 GFADRO O=S(=O)(c1ccc(C(F)(F)F)nc1)N1CCC([NH+]2CCCCC2)CC1 ZINC000272782329 655121404 /nfs/dbraw/zinc/12/14/04/655121404.db2.gz HUFYDCDYUVOBGF-UHFFFAOYSA-N 1 0 377.432 2.739 20 0 GFADRO C[C@H]([NH2+]CC(=O)Nc1nnc(C(C)(C)C)s1)c1ccc([S@](C)=O)cc1 ZINC000272953393 655126304 /nfs/dbraw/zinc/12/63/04/655126304.db2.gz MSZVFDGRYCPEON-FTJNGKRUSA-N 1 0 380.539 2.862 20 0 GFADRO CC[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2Cl)C1 ZINC000161576791 655127648 /nfs/dbraw/zinc/12/76/48/655127648.db2.gz ZTPDQPGFJOCQCQ-LBPRGKRZSA-N 1 0 375.878 2.567 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)Nc2nc3cc(Br)ccn3n2)C1 ZINC000839413736 661083144 /nfs/dbraw/zinc/08/31/44/661083144.db2.gz RQUSBYZVLAFLJM-HNNXBMFYSA-N 1 0 384.253 2.643 20 0 GFADRO OC[C@@H]([NH2+]C[C@H](O)COc1ccccc1F)c1ccc(Br)cc1 ZINC000273151619 655132569 /nfs/dbraw/zinc/13/25/69/655132569.db2.gz XGCYDNPWKNOHJD-GOEBONIOSA-N 1 0 384.245 2.651 20 0 GFADRO C[C@@H]([NH2+]C[C@H](O)COc1ccc(Cl)cc1Br)c1cnn(C)c1 ZINC000273382542 655141509 /nfs/dbraw/zinc/14/15/09/655141509.db2.gz NAGQSURTIBHGMF-MFKMUULPSA-N 1 0 388.693 2.927 20 0 GFADRO CS(=O)(=O)c1cccc(Cl)c1C[NH2+][C@@H]1CCO[C@@]2(CCSC2)C1 ZINC000273505934 655145698 /nfs/dbraw/zinc/14/56/98/655145698.db2.gz WBTKVAMZWMNAMZ-WBMJQRKESA-N 1 0 375.943 2.888 20 0 GFADRO C[NH+](C)C[C@@H]1CCCN1C(=O)c1ncc(Br)cc1Br ZINC000273559206 655148075 /nfs/dbraw/zinc/14/80/75/655148075.db2.gz DAALBWGUVCHCRS-JTQLQIEISA-N 1 0 391.107 2.773 20 0 GFADRO O[C@H](COc1c(Cl)cccc1Cl)C[NH+]1CCC(C2OCCO2)CC1 ZINC000171239012 655150404 /nfs/dbraw/zinc/15/04/04/655150404.db2.gz YLEIYVUNQZMGCG-ZDUSSCGKSA-N 1 0 376.280 2.818 20 0 GFADRO CCSCC[NH2+]CCCNC(=O)c1cc(OC)ccc1Br ZINC000273661727 655153106 /nfs/dbraw/zinc/15/31/06/655153106.db2.gz DWPKEDVABHMREG-UHFFFAOYSA-N 1 0 375.332 2.920 20 0 GFADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)Nc1ccc(SC(F)(F)F)nc1 ZINC000839180304 661075381 /nfs/dbraw/zinc/07/53/81/661075381.db2.gz UULHXWZSPRTKSI-NEPJUHHUSA-N 1 0 376.404 2.678 20 0 GFADRO C[C@H]1CN(C(=O)C[N@H+](C)CC2(c3ccc(Br)cc3)CC2)CCO1 ZINC000172586713 655159018 /nfs/dbraw/zinc/15/90/18/655159018.db2.gz KEPSAZAWSPYDAU-AWEZNQCLSA-N 1 0 381.314 2.660 20 0 GFADRO COc1c(Br)cc(Br)cc1C[NH2+][C@@H]1CCC(=O)NC1 ZINC000110911740 655161703 /nfs/dbraw/zinc/16/17/03/655161703.db2.gz IWOWXEFSUCOPPD-SNVBAGLBSA-N 1 0 392.091 2.588 20 0 GFADRO C[C@@H]1C[C@H](C[NH2+][C@H](CO)c2ccccc2I)CCO1 ZINC000934828773 664926005 /nfs/dbraw/zinc/92/60/05/664926005.db2.gz SYEMPZHWFVSZBG-LALPHHSUSA-N 1 0 375.250 2.729 20 0 GFADRO C[C@H]1C[C@@H](N(C)S(=O)(=O)N(C)Cc2c(F)cccc2Cl)CC[N@@H+]1C ZINC000173275991 655166860 /nfs/dbraw/zinc/16/68/60/655166860.db2.gz HOQKJNVRRUCOFY-STQMWFEESA-N 1 0 377.913 2.570 20 0 GFADRO CN1CC[NH+]([C@@H]2CCCCN(C(=O)c3ccccc3Br)C2)CC1 ZINC000173279260 655167125 /nfs/dbraw/zinc/16/71/25/655167125.db2.gz AKVIJADATBYLBP-OAHLLOKOSA-N 1 0 380.330 2.691 20 0 GFADRO CN1CC[NH+]([C@@H]2CCCCN(C(=O)c3cccc(Br)c3)C2)CC1 ZINC000173279353 655167174 /nfs/dbraw/zinc/16/71/74/655167174.db2.gz QXZGVLXHXYNYLS-QGZVFWFLSA-N 1 0 380.330 2.691 20 0 GFADRO CC[N@@H+]1CCC[C@@H](CNS(=O)(=O)Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000111336012 655168836 /nfs/dbraw/zinc/16/88/36/655168836.db2.gz IPLYXSAFDRUIAT-AWEZNQCLSA-N 1 0 380.432 2.737 20 0 GFADRO CN(CC1CC[NH+](C)CC1)S(=O)(=O)Cc1ccc(OC(F)(F)F)cc1 ZINC000111339963 655169107 /nfs/dbraw/zinc/16/91/07/655169107.db2.gz ZQOPKFHDTXASRH-UHFFFAOYSA-N 1 0 380.432 2.689 20 0 GFADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)c2cccc(Br)c2C)CC1 ZINC000173404203 655170167 /nfs/dbraw/zinc/17/01/67/655170167.db2.gz ZKDLFUCHPUIXBQ-AWEZNQCLSA-N 1 0 382.346 2.761 20 0 GFADRO CC(C)n1cc(Br)cc1C(=O)NCC1CC[NH+](CCN(C)C)CC1 ZINC000173409336 655170500 /nfs/dbraw/zinc/17/05/00/655170500.db2.gz GMLJFLZHTFBYEW-UHFFFAOYSA-N 1 0 399.377 2.835 20 0 GFADRO C[C@H](CN1CCN(C)CC1)[NH2+]Cc1nc(-c2cccc(Br)c2)c[nH]1 ZINC000111385220 655172594 /nfs/dbraw/zinc/17/25/94/655172594.db2.gz YHWDPSOHRKBORX-CQSZACIVSA-N 1 0 392.345 2.565 20 0 GFADRO C[C@H]1C[C@H](N(C)C(=O)Nc2ccc(NS(C)(=O)=O)c(Cl)c2)CC[N@@H+]1C ZINC000173555387 655174874 /nfs/dbraw/zinc/17/48/74/655174874.db2.gz DZIYTJLTHJATKC-WCQYABFASA-N 1 0 388.921 2.658 20 0 GFADRO COCC[NH+]1CCC(NC(=O)NCc2ccc(Br)cc2C)CC1 ZINC000111841982 655177938 /nfs/dbraw/zinc/17/79/38/655177938.db2.gz ZXVGMPFQTWCBLT-UHFFFAOYSA-N 1 0 384.318 2.668 20 0 GFADRO Cn1ncc(C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)c1Br ZINC000274198581 655178794 /nfs/dbraw/zinc/17/87/94/655178794.db2.gz LSJISJQVKDAZSN-CQSZACIVSA-N 1 0 377.286 2.577 20 0 GFADRO Cc1cc(NC(=O)CC[N@@H+](C)C[C@H](O)c2cccc(Br)c2)no1 ZINC000839635599 661097318 /nfs/dbraw/zinc/09/73/18/661097318.db2.gz JAFXVAKLYUYCHV-AWEZNQCLSA-N 1 0 382.258 2.740 20 0 GFADRO O=C(NC[C@@H](O)c1c(F)cccc1Cl)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000839689928 661099996 /nfs/dbraw/zinc/09/99/96/661099996.db2.gz BBQMPLXXOPBZBF-XJKSGUPXSA-N 1 0 386.920 2.846 20 0 GFADRO O=C(Nc1ccc(F)c(Br)c1)C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000174720182 655206639 /nfs/dbraw/zinc/20/66/39/655206639.db2.gz SVCQMQYJSIEBQI-UHFFFAOYSA-N 1 0 398.276 2.614 20 0 GFADRO C[C@H](NC(=O)CN1CC[C@](O)(C(F)(F)F)C1)c1ccc(Br)cc1 ZINC000174754027 655207653 /nfs/dbraw/zinc/20/76/53/655207653.db2.gz YQWHBAZPBABROX-IINYFYTJSA-N 1 0 395.219 2.625 20 0 GFADRO C[C@@H]([NH2+]CC1CCN(S(=O)(=O)C(F)(F)F)CC1)c1ccc(Cl)cn1 ZINC000274970440 655209409 /nfs/dbraw/zinc/20/94/09/655209409.db2.gz YDHZBPLKDIUONO-SNVBAGLBSA-N 1 0 385.839 2.947 20 0 GFADRO C[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2CC(=O)N(c3cc(Cl)cc(Cl)c3)C2)C1 ZINC000113454819 655210665 /nfs/dbraw/zinc/21/06/65/655210665.db2.gz YPELXBHIFHWRCY-STQMWFEESA-N 1 0 384.307 2.756 20 0 GFADRO O=c1cc(C[NH2+]C2(c3cccc(Br)c3)CCOCC2)occ1O ZINC000114208113 655218182 /nfs/dbraw/zinc/21/81/82/655218182.db2.gz AKEIKWWMVQXGJS-UHFFFAOYSA-N 1 0 380.238 2.903 20 0 GFADRO C[C@@H](C(=O)N1CC[NH+](C2CCOCC2)CC1)c1ccc(Br)s1 ZINC000175838188 655227871 /nfs/dbraw/zinc/22/78/71/655227871.db2.gz LEKOTEVZQXNMRN-GFCCVEGCSA-N 1 0 387.343 2.937 20 0 GFADRO CC1CC[NH+](CCNC(=O)C(=O)Nc2nc(-c3cccs3)cs2)CC1 ZINC000175840164 655228148 /nfs/dbraw/zinc/22/81/48/655228148.db2.gz IZBSELXUVVWXRZ-UHFFFAOYSA-N 1 0 378.523 2.658 20 0 GFADRO C[C@H]([NH2+][C@H](c1nccn1C)c1ccc(Cl)cc1)C1CCS(=O)(=O)CC1 ZINC000275302735 655228213 /nfs/dbraw/zinc/22/82/13/655228213.db2.gz IHKZDWRSTBERNM-GUYCJALGSA-N 1 0 381.929 2.966 20 0 GFADRO C[NH+](C)[C@@H]1CCN(C(=O)Nc2cc(Br)ccc2-n2cccn2)C1 ZINC000175849569 655228692 /nfs/dbraw/zinc/22/86/92/655228692.db2.gz AODYTODXXXJSLP-CYBMUJFWSA-N 1 0 378.274 2.803 20 0 GFADRO C[C@@H](CNC(=O)N1CC[C@H]([NH+]2CC=CC2)C1)Oc1ccccc1Br ZINC000175977658 655230747 /nfs/dbraw/zinc/23/07/47/655230747.db2.gz PBVKITHDEZHIFJ-GJZGRUSLSA-N 1 0 394.313 2.872 20 0 GFADRO CCOc1ccc(Br)cc1NC(=O)NCC[N@H+](C)CCCOC ZINC000176067285 655233269 /nfs/dbraw/zinc/23/32/69/655233269.db2.gz OYCQCDOXVXOVFL-UHFFFAOYSA-N 1 0 388.306 2.938 20 0 GFADRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C[C@H]1Sc2ccc(Cl)cc2NC1=O ZINC000115436208 655237322 /nfs/dbraw/zinc/23/73/22/655237322.db2.gz LCOMIBFCXPCNJO-BLLLJJGKSA-N 1 0 381.929 2.943 20 0 GFADRO CN(C[C@@H]1CCC[N@H+](C)C1)S(=O)(=O)c1cc(Br)c(F)cc1F ZINC000115585283 655239580 /nfs/dbraw/zinc/23/95/80/655239580.db2.gz IWSBOCVQKRDPBH-SNVBAGLBSA-N 1 0 397.285 2.690 20 0 GFADRO Cn1cncc1[C@H]1C[C@H]([NH2+]Cc2cc3c(c(Br)c2)OCO3)CCO1 ZINC000275525164 655240255 /nfs/dbraw/zinc/24/02/55/655240255.db2.gz LJRSRRQHWJIQNV-IUODEOHRSA-N 1 0 394.269 2.921 20 0 GFADRO O=C(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)NC[C@@H]1CSCCS1 ZINC000176491656 655247365 /nfs/dbraw/zinc/24/73/65/655247365.db2.gz YQUXODKNEMMCCD-ZWKOTPCHSA-N 1 0 379.595 2.699 20 0 GFADRO COCC[NH2+]CCCNC(=O)C(=O)Nc1cc(Cl)ccc1SC(C)C ZINC000275811145 655252058 /nfs/dbraw/zinc/25/20/58/655252058.db2.gz ASVQVUYGDNTHEJ-UHFFFAOYSA-N 1 0 387.933 2.521 20 0 GFADRO NC(=O)C[C@H]1CCCC[N@@H+]1Cc1nnc(-c2ccccc2Br)o1 ZINC000116715800 655252275 /nfs/dbraw/zinc/25/22/75/655252275.db2.gz MKMUCLFSRSMRAH-LLVKDONJSA-N 1 0 379.258 2.729 20 0 GFADRO C[N@@H+]1CC[C@@H](CNC(=O)c2cc(Br)sc2Br)C1 ZINC000116732379 655252493 /nfs/dbraw/zinc/25/24/93/655252493.db2.gz MDZXMBVGCYNCJR-ZETCQYMHSA-N 1 0 382.121 2.955 20 0 GFADRO OCC[N@H+](Cc1cc(Br)c2c(c1)OCCCO2)C1CCOCC1 ZINC000275819847 655252588 /nfs/dbraw/zinc/25/25/88/655252588.db2.gz FDBFXDJUJAFVMC-UHFFFAOYSA-N 1 0 386.286 2.584 20 0 GFADRO Cc1csc([C@](O)(CC(=O)N(C)CC2([NH+](C)C)CCC2)C(F)(F)F)n1 ZINC000275871221 655254234 /nfs/dbraw/zinc/25/42/34/655254234.db2.gz NFPJCGCZTQLFHE-OAHLLOKOSA-N 1 0 379.448 2.534 20 0 GFADRO Cc1ccc(NC(=O)C(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)c(Br)c1 ZINC000275953193 655256236 /nfs/dbraw/zinc/25/62/36/655256236.db2.gz ZBOBNFMFXXNFOF-CYBMUJFWSA-N 1 0 396.329 2.885 20 0 GFADRO COCC[N@@H+]1CC[C@@H](NC(=O)Nc2cc(Br)c(F)cc2F)C1 ZINC000276082584 655261351 /nfs/dbraw/zinc/26/13/51/655261351.db2.gz ODUISZBQDJGAMY-SECBINFHSA-N 1 0 378.217 2.570 20 0 GFADRO COc1c(Cl)cc(NC(=O)C(=O)N[C@H](C)C2=CC[N@H+](C)CC2)cc1Cl ZINC000276158710 655265228 /nfs/dbraw/zinc/26/52/28/655265228.db2.gz RQOQBJLGHIGXPS-SNVBAGLBSA-N 1 0 386.279 2.707 20 0 GFADRO Cc1cc(S(=O)(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)cnc1Cl ZINC000117540562 655265759 /nfs/dbraw/zinc/26/57/59/655265759.db2.gz NXVHACNHEKFUQZ-UHFFFAOYSA-N 1 0 380.901 2.596 20 0 GFADRO CCN(CCC[NH+](C)C)C(=O)c1ccnc(Cl)c1I ZINC000276286363 655270022 /nfs/dbraw/zinc/27/00/22/655270022.db2.gz WDWBHGLFKKXWIU-UHFFFAOYSA-N 1 0 395.672 2.753 20 0 GFADRO COCCNS(=O)(=O)c1cccc(C[NH2+]Cc2ccc(SC)cc2)c1 ZINC000117950891 655270677 /nfs/dbraw/zinc/27/06/77/655270677.db2.gz VRFJUVVUAHTPQM-UHFFFAOYSA-N 1 0 380.535 2.623 20 0 GFADRO CC[NH+](CC)Cc1ccc(NC(=O)c2cc(S(=O)(=O)NC)cs2)cc1 ZINC000276304014 655270769 /nfs/dbraw/zinc/27/07/69/655270769.db2.gz WFABAWPKJREMGJ-UHFFFAOYSA-N 1 0 381.523 2.750 20 0 GFADRO CCN(CCC[NH+](CC)CC)C(=O)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000276458878 655276199 /nfs/dbraw/zinc/27/61/99/655276199.db2.gz NMIPALQAPQGVDF-UHFFFAOYSA-N 1 0 376.469 2.877 20 0 GFADRO C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(Br)cc2Cl)C1 ZINC000177534653 655280204 /nfs/dbraw/zinc/28/02/04/655280204.db2.gz IXWSHBGTDHFCIA-LLVKDONJSA-N 1 0 388.693 2.594 20 0 GFADRO Cc1nc(Cl)sc1C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1 ZINC000177655218 655284961 /nfs/dbraw/zinc/28/49/61/655284961.db2.gz SKBFJUKIYNIUCR-UHFFFAOYSA-N 1 0 380.857 2.827 20 0 GFADRO C[C@](O)(C[NH2+]Cc1ccc(Br)cc1N1CCOCC1)C(F)(F)F ZINC000276805621 655288229 /nfs/dbraw/zinc/28/82/29/655288229.db2.gz ZNZSERPOSDXARV-AWEZNQCLSA-N 1 0 397.235 2.689 20 0 GFADRO C[C@H](C[C@H]1CCCCCN1C(=O)OC(C)(C)C)[NH2+][C@@H](C)CS(C)(=O)=O ZINC000177781477 655288629 /nfs/dbraw/zinc/28/86/29/655288629.db2.gz DIKWOBLUPDWQBF-OWCLPIDISA-N 1 0 376.563 2.967 20 0 GFADRO Cc1csc(C(=O)Nc2ccc(=O)n(CC[NH+](C)C)c2)c1Br ZINC000276878440 655291524 /nfs/dbraw/zinc/29/15/24/655291524.db2.gz KZUCDMPKCTVIOP-UHFFFAOYSA-N 1 0 384.299 2.795 20 0 GFADRO COc1cc(Br)cc(S(=O)(=O)N2CCC[C@@H]([NH+](C)C)CC2)c1 ZINC000276954287 655294910 /nfs/dbraw/zinc/29/49/10/655294910.db2.gz DBAMZYUHAAKLBK-CYBMUJFWSA-N 1 0 391.331 2.563 20 0 GFADRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]Cc2ccc(S(C)(=O)=O)c(Cl)c2)C1 ZINC000276959915 655295220 /nfs/dbraw/zinc/29/52/20/655295220.db2.gz DAEMBSNSYQQGMG-ZDUSSCGKSA-N 1 0 388.917 2.843 20 0 GFADRO Cc1ccc(Br)c(S(=O)(=O)N2CCC[C@@H]([NH+](C)C)CC2)c1 ZINC000277042668 655299844 /nfs/dbraw/zinc/29/98/44/655299844.db2.gz PIJPRZRBQDFZJF-CYBMUJFWSA-N 1 0 375.332 2.862 20 0 GFADRO C[C@@H]([NH2+]CC1CCN(S(C)(=O)=O)CC1)c1ccc(Br)s1 ZINC000178262239 655300958 /nfs/dbraw/zinc/30/09/58/655300958.db2.gz UWHYUHUUMFAKSI-SNVBAGLBSA-N 1 0 381.361 2.833 20 0 GFADRO NS(=O)(=O)CCC[N@H+](Cc1ccccc1Br)C1CCCC1 ZINC000178548748 655304565 /nfs/dbraw/zinc/30/45/65/655304565.db2.gz VJTRAGWPUGXKNX-UHFFFAOYSA-N 1 0 375.332 2.872 20 0 GFADRO C[C@H]([NH3+])CCNC(=O)Cc1ccc(NC(=O)c2ccc(Br)o2)cc1 ZINC000178665429 655307626 /nfs/dbraw/zinc/30/76/26/655307626.db2.gz HPXYUXJXCMZJJV-NSHDSACASA-N 1 0 394.269 2.690 20 0 GFADRO CSCC[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)NCC[C@H](C)[NH3+] ZINC000178683954 655308422 /nfs/dbraw/zinc/30/84/22/655308422.db2.gz AWYZHIQLWLSQSI-HZMBPMFUSA-N 1 0 392.352 2.698 20 0 GFADRO [NH3+]C[C@H](NS(=O)(=O)c1cc(Br)cnc1Cl)C1CCCCC1 ZINC000178960709 655310917 /nfs/dbraw/zinc/31/09/17/655310917.db2.gz XPNGLEASULBELA-NSHDSACASA-N 1 0 396.738 2.683 20 0 GFADRO CCC(CC)[C@H](CNC(=O)C(=O)Nc1ccc(Br)nc1C)[NH+](C)C ZINC000179727926 655316417 /nfs/dbraw/zinc/31/64/17/655316417.db2.gz HGSJMQOQTYENQM-AWEZNQCLSA-N 1 0 399.333 2.574 20 0 GFADRO CC1(C)C[C@H]([NH2+]CC(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)C(C)(C)O1 ZINC000119907095 655320624 /nfs/dbraw/zinc/32/06/24/655320624.db2.gz RTXPSYBMLYGGOF-AWEZNQCLSA-N 1 0 388.917 2.618 20 0 GFADRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)NCCCCn2cc(Br)cn2)C1 ZINC000279423585 655327837 /nfs/dbraw/zinc/32/78/37/655327837.db2.gz CYKKOPGPNKNLRO-GJZGRUSLSA-N 1 0 386.338 2.598 20 0 GFADRO O=C1CC[C@@H]2C[N@H+](C[C@H](O)c3cccc(Br)c3)CC[C@H]2N1C1CC1 ZINC000120108527 655327895 /nfs/dbraw/zinc/32/78/95/655327895.db2.gz NGIFSBXUOBCHOW-OLMNPRSZSA-N 1 0 393.325 2.958 20 0 GFADRO O=C1CCCCN1C1CC[NH+](C[C@@H](O)c2ccc(Br)cc2)CC1 ZINC000120226993 655331774 /nfs/dbraw/zinc/33/17/74/655331774.db2.gz VTMBBNFOIFRPPJ-QGZVFWFLSA-N 1 0 381.314 2.959 20 0 GFADRO CCOCCOCCN(C)CN1CC[C@H](c2cccc(Br)c2)C1=O ZINC000840053671 661127942 /nfs/dbraw/zinc/12/79/42/661127942.db2.gz HTWJWMABCBIKQB-QGZVFWFLSA-N 1 0 399.329 2.707 20 0 GFADRO COc1ccc(C(=O)N2CC[N@H+](C)CC23CCCCC3)nc1Br ZINC000181222137 655333816 /nfs/dbraw/zinc/33/38/16/655333816.db2.gz DRNZBTIVUHUZBJ-UHFFFAOYSA-N 1 0 382.302 2.943 20 0 GFADRO CCCC1(C[NH2+][C@H](C)c2cccc(N(S(C)(=O)=O)S(C)(=O)=O)c2)CC1 ZINC000181318139 655335089 /nfs/dbraw/zinc/33/50/89/655335089.db2.gz JZMAGGGAWOLBGO-CQSZACIVSA-N 1 0 388.555 2.643 20 0 GFADRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)Nc1cc(Cl)c(Cl)cc1F ZINC000281561248 655335269 /nfs/dbraw/zinc/33/52/69/655335269.db2.gz WOXBLOGLLDKJQG-OTYXRUKQSA-N 1 0 376.259 2.870 20 0 GFADRO Cc1ccc(I)cc1C(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000120553094 655338904 /nfs/dbraw/zinc/33/89/04/655338904.db2.gz SGVNCAZHIDDNKU-DGCLKSJQSA-N 1 0 384.261 2.955 20 0 GFADRO CCCCO[C@@H]1C[C@H]([NH2+]C2CCN(S(=O)(=O)C(F)(F)F)CC2)C1(C)C ZINC000181884690 655340918 /nfs/dbraw/zinc/34/09/18/655340918.db2.gz RPQIHTRUEOSZBV-UONOGXRCSA-N 1 0 386.480 2.874 20 0 GFADRO Cc1cc(NC(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)cnc1Br ZINC000182415453 655344006 /nfs/dbraw/zinc/34/40/06/655344006.db2.gz NYEOITZZMNPNFH-CQSZACIVSA-N 1 0 385.306 2.727 20 0 GFADRO C[N@@H+]1CCCN(C(=O)c2ccc(Cl)c(I)c2)CC1 ZINC000120850508 655345395 /nfs/dbraw/zinc/34/53/95/655345395.db2.gz OAHJDWUEUFLWIX-UHFFFAOYSA-N 1 0 378.641 2.722 20 0 GFADRO C[C@]1(O)CCC[N@H+](CN2CC[C@H](c3cccc(Br)c3)C2=O)CC1 ZINC000840059588 661128205 /nfs/dbraw/zinc/12/82/05/661128205.db2.gz ADAMLDNFDNIRHS-AEFFLSMTSA-N 1 0 381.314 2.959 20 0 GFADRO Cc1nc2sccn2c(=O)c1CC[NH2+][C@H](C)[C@H]1OCCc2sccc21 ZINC000292524066 655352011 /nfs/dbraw/zinc/35/20/11/655352011.db2.gz WLQCNNCTXLZEPW-MLGOLLRUSA-N 1 0 375.519 2.961 20 0 GFADRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@H](CO)c2cccc(Br)c2)c1 ZINC000183891005 655354282 /nfs/dbraw/zinc/35/42/82/655354282.db2.gz IMEVPKNGLTXEQA-HZPDHXFCSA-N 1 0 381.226 2.714 20 0 GFADRO CC(C)O[C@@H]1C[C@H]([NH2+]CC2CCN(S(=O)(=O)C(F)(F)F)CC2)C1(C)C ZINC000185224246 655363266 /nfs/dbraw/zinc/36/32/66/655363266.db2.gz JFKAODKPGTVMJT-UONOGXRCSA-N 1 0 386.480 2.730 20 0 GFADRO Cc1cnc([C@@H]([NH2+]C[C@](C)(O)c2ccc(S(C)(=O)=O)cc2)C2CC2)s1 ZINC000185283382 655363497 /nfs/dbraw/zinc/36/34/97/655363497.db2.gz VAHCUGSSIVHTIR-WMZOPIPTSA-N 1 0 380.535 2.803 20 0 GFADRO C[C@](O)(C[N@@H+]1CC[C@@](C)(C(N)=O)C1)c1ccc(Br)cc1Cl ZINC000293992729 655364133 /nfs/dbraw/zinc/36/41/33/655364133.db2.gz FNGINLCPMDPPHB-CABCVRRESA-N 1 0 375.694 2.507 20 0 GFADRO C[C@@H]([NH2+]Cc1cccc(OCC(N)=O)c1)c1ccc(Br)cc1O ZINC000185578276 655365032 /nfs/dbraw/zinc/36/50/32/655365032.db2.gz VGGCAFCGMVYREY-LLVKDONJSA-N 1 0 379.254 2.870 20 0 GFADRO O=C(NCCOc1c(Cl)cc(Cl)cc1Cl)c1[nH]nc2c1C[NH2+]CC2 ZINC000188652545 655381272 /nfs/dbraw/zinc/38/12/72/655381272.db2.gz WZJCSMVWQLGEAO-UHFFFAOYSA-N 1 0 389.670 2.824 20 0 GFADRO COc1c(Br)cc(Cl)cc1S(=O)(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000320638101 655382261 /nfs/dbraw/zinc/38/22/61/655382261.db2.gz DBCXMEHYSTTWHJ-JGVFFNPUSA-N 1 0 385.711 2.515 20 0 GFADRO Cc1ccc(/C=C\C(=O)N2CC[NH+](CC(C)(C)O)CC2)c(Br)c1 ZINC000321960259 655382834 /nfs/dbraw/zinc/38/28/34/655382834.db2.gz FQTAQGPDQBKPDG-SREVYHEPSA-N 1 0 381.314 2.686 20 0 GFADRO CCc1nocc1C[N@H+](C)Cn1nc(Br)c(=O)c2ccccc21 ZINC000840090511 661131274 /nfs/dbraw/zinc/13/12/74/661131274.db2.gz XVQHUNLQOUOWIM-UHFFFAOYSA-N 1 0 377.242 2.799 20 0 GFADRO C[C@@H]1CCC[C@](CNC(=O)c2cc([N+](=O)[O-])ncc2Br)([NH+](C)C)C1 ZINC000326424594 655385068 /nfs/dbraw/zinc/38/50/68/655385068.db2.gz RWQZYHFXPNZHPF-BZNIZROVSA-N 1 0 399.289 2.993 20 0 GFADRO O=S(=O)(c1c(Cl)nc2ccccn21)N1CCC([NH+]2CCCCC2)CC1 ZINC000326716057 655385199 /nfs/dbraw/zinc/38/51/99/655385199.db2.gz ARNNBDMJBQJGJA-UHFFFAOYSA-N 1 0 382.917 2.627 20 0 GFADRO O=S(=O)(NC[C@H](c1ccccc1)[NH+]1CCCC1)c1cnc(Cl)c(F)c1 ZINC000327798851 655386541 /nfs/dbraw/zinc/38/65/41/655386541.db2.gz FGWLKXALRVPUIH-MRXNPFEDSA-N 1 0 383.876 2.990 20 0 GFADRO CN1C(=O)N(CC2([NH+](C)C)CCC2)C(=O)[C@@H]1c1cccc(Br)c1 ZINC000349442637 655390307 /nfs/dbraw/zinc/39/03/07/655390307.db2.gz XBVDIIDKPAYDDA-AWEZNQCLSA-N 1 0 380.286 2.869 20 0 GFADRO C[C@H](Oc1cccc(Br)c1)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000366197421 655399842 /nfs/dbraw/zinc/39/98/42/655399842.db2.gz SBWFOURCRMRKOP-BBRMVZONSA-N 1 0 397.313 2.586 20 0 GFADRO Cn1nc(Br)cc1C(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000192065655 655402282 /nfs/dbraw/zinc/40/22/82/655402282.db2.gz URMUBSOAWHACST-UHFFFAOYSA-N 1 0 391.313 2.749 20 0 GFADRO C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000420406956 655407544 /nfs/dbraw/zinc/40/75/44/655407544.db2.gz ROCDGDPIZCKTAV-KBXCAEBGSA-N 1 0 380.330 2.624 20 0 GFADRO Cc1csc(C(=O)N2CC[C@]3(CCC[NH2+]3)C2)c1I ZINC000424021029 655407912 /nfs/dbraw/zinc/40/79/12/655407912.db2.gz ALVQHVFYTXBIKE-CYBMUJFWSA-N 1 0 376.263 2.629 20 0 GFADRO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000193293048 655409298 /nfs/dbraw/zinc/40/92/98/655409298.db2.gz GDWMZLKKYYFDFZ-GUTXKFCHSA-N 1 0 390.933 2.550 20 0 GFADRO Cn1ccnc1[C@H]1CCC[N@H+](C[C@H](O)COc2ccc(Br)cc2)C1 ZINC000444801992 655409800 /nfs/dbraw/zinc/40/98/00/655409800.db2.gz LQSFXROXLJXZJQ-HOCLYGCPSA-N 1 0 394.313 2.802 20 0 GFADRO O=S(=O)(NCC1=CC[NH2+]CC1)c1cc(Br)cc(C(F)(F)F)c1 ZINC000193388742 655409998 /nfs/dbraw/zinc/40/99/98/655409998.db2.gz NKNKDGMYIJNFJF-UHFFFAOYSA-N 1 0 399.232 2.666 20 0 GFADRO CCN(CC)S(=O)(=O)c1ccc(CC[NH2+][C@@H]2C[C@@H](OC)C23CCC3)s1 ZINC000453105855 655411533 /nfs/dbraw/zinc/41/15/33/655411533.db2.gz HXIXLWVHSDNAOA-HZPDHXFCSA-N 1 0 386.583 2.868 20 0 GFADRO CCN(CC)S(=O)(=O)c1ccc(CC[NH2+][C@@H]2C[C@H](OC)C23CCC3)s1 ZINC000453105853 655411536 /nfs/dbraw/zinc/41/15/36/655411536.db2.gz HXIXLWVHSDNAOA-CVEARBPZSA-N 1 0 386.583 2.868 20 0 GFADRO Cc1ncccc1NC(=O)[C@H](C)[NH2+]Cc1cc2c(c(Br)c1)OCO2 ZINC000453612047 655412057 /nfs/dbraw/zinc/41/20/57/655412057.db2.gz MVHAFUDIMAHKQV-NSHDSACASA-N 1 0 392.253 2.998 20 0 GFADRO CCOC(=O)N1CCC[N@H+](C[C@@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000194854977 655417800 /nfs/dbraw/zinc/41/78/00/655417800.db2.gz BONIJSDBGDUJJZ-CQSZACIVSA-N 1 0 391.295 2.897 20 0 GFADRO C[C@@H](CNC(=O)c1ccc(I)c(F)c1)C[NH+]1CCCC1 ZINC000517817176 655418791 /nfs/dbraw/zinc/41/87/91/655418791.db2.gz AUHOGLZICGEOLE-NSHDSACASA-N 1 0 390.240 2.892 20 0 GFADRO CC[NH+](CC)CCS(=O)(=O)NCc1cc2cc(Br)ccc2[nH]1 ZINC000518010918 655419857 /nfs/dbraw/zinc/41/98/57/655419857.db2.gz KLBGPHHRVHDLIL-UHFFFAOYSA-N 1 0 388.331 2.692 20 0 GFADRO COC[C@H]([NH2+][C@@H](C)C(=O)Nc1cccc(I)c1)C(C)C ZINC000541596141 655421343 /nfs/dbraw/zinc/42/13/43/655421343.db2.gz ITRBXTPQWRTQRU-FZMZJTMJSA-N 1 0 390.265 2.879 20 0 GFADRO C[S@](=O)C[C@@H]([NH2+]CCCS(=O)(=O)c1ccc(F)cc1)c1ccccc1 ZINC000541614158 655421566 /nfs/dbraw/zinc/42/15/66/655421566.db2.gz NSBOYWGJMHRTFY-KOSHJBKYSA-N 1 0 383.510 2.699 20 0 GFADRO COc1ccc(S(=O)(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c(Cl)c1 ZINC000554703161 655423123 /nfs/dbraw/zinc/42/31/23/655423123.db2.gz NIIYKKDFNPGXLN-CXAGYDPISA-N 1 0 384.929 2.986 20 0 GFADRO C[C@@H]1CCN(S(=O)(=O)c2ccc(Cl)c(Br)c2)C[C@@H]1C[NH3+] ZINC000235358160 655424464 /nfs/dbraw/zinc/42/44/64/655424464.db2.gz PSRHONVSCRDNCR-ZJUUUORDSA-N 1 0 381.723 2.708 20 0 GFADRO CN(C(=O)c1ccn(-c2cccc(Br)c2)n1)C1CCC([NH3+])CC1 ZINC000237015849 655425346 /nfs/dbraw/zinc/42/53/46/655425346.db2.gz JLYAFENMDNMPNB-UHFFFAOYSA-N 1 0 377.286 2.977 20 0 GFADRO COc1cc(C)c(Br)cc1S(=O)(=O)N1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000237094310 655425702 /nfs/dbraw/zinc/42/57/02/655425702.db2.gz TXQUJKMHSFXUKL-YPMHNXCESA-N 1 0 391.331 2.657 20 0 GFADRO C[C@@H]1CN(C(=O)CCNc2ncc(C(F)(F)F)cc2Cl)C[C@@]1(C)C[NH3+] ZINC000574156985 655425752 /nfs/dbraw/zinc/42/57/52/655425752.db2.gz NPBQYJUZDGRDPA-MEBBXXQBSA-N 1 0 378.826 2.999 20 0 GFADRO O=S(=O)(N1CCC(C[NH2+]Cc2cccc3cc[nH]c32)CC1)C(F)(F)F ZINC000237758661 655426576 /nfs/dbraw/zinc/42/65/76/655426576.db2.gz GAMRAIKCUJJEON-UHFFFAOYSA-N 1 0 375.416 2.819 20 0 GFADRO [NH3+]C1CCC(NC(=O)c2cc(F)c(F)cc2I)CC1 ZINC000237858019 655426692 /nfs/dbraw/zinc/42/66/92/655426692.db2.gz SUBLZZDZZBHZFJ-UHFFFAOYSA-N 1 0 380.176 2.569 20 0 GFADRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)CN1C(=S)N=NC1c1ccc(Cl)cc1 ZINC000237881043 655426724 /nfs/dbraw/zinc/42/67/24/655426724.db2.gz MCLVKKIHMSKRKK-JSGCOSHPSA-N 1 0 379.917 2.521 20 0 GFADRO O=C(C[C@@H]1CSCC[NH2+]1)N(Cc1ccccc1)C[C@H](O)c1cccs1 ZINC000237997713 655426813 /nfs/dbraw/zinc/42/68/13/655426813.db2.gz XYOQYEYNFFJRCV-SJORKVTESA-N 1 0 376.547 2.905 20 0 GFADRO Cc1c(I)cccc1C(=O)N1CC2CCC1(C[NH3+])CC2 ZINC000574334896 655429340 /nfs/dbraw/zinc/42/93/40/655429340.db2.gz DIWKPMLLORQRKF-UHFFFAOYSA-N 1 0 384.261 2.943 20 0 GFADRO O=S(=O)(NC1CCCC1)[C@@H]1CCCN(C[C@@H](O)c2cccc(Cl)c2)C1 ZINC000248464638 655432671 /nfs/dbraw/zinc/43/26/71/655432671.db2.gz ZNYZFQRGRPHKAD-QZTJIDSGSA-N 1 0 386.945 2.700 20 0 GFADRO O=C(NCC1CC1)[C@@H]1CCC[N@@H+](C[C@@H](O)c2ccc(F)c(Br)c2)C1 ZINC000248576379 655432787 /nfs/dbraw/zinc/43/27/87/655432787.db2.gz TXPVTUBYTWVFGA-RHSMWYFYSA-N 1 0 399.304 2.860 20 0 GFADRO O=C(NCC1CC1)[C@@H]1CCC[N@@H+](C[C@@H](O)c2cccc(Br)c2)C1 ZINC000248756038 655433157 /nfs/dbraw/zinc/43/31/57/655433157.db2.gz IZBPNCWTLWJPNZ-NVXWUHKLSA-N 1 0 381.314 2.721 20 0 GFADRO CCO[C@@H]1C[C@@]([NH3+])(C(=O)NC[C@@H](O)c2cc(Cl)cc(Cl)c2)C1(C)C ZINC000249072314 655433794 /nfs/dbraw/zinc/43/37/94/655433794.db2.gz LSDNQKZGBNKVPU-CKEIUWERSA-N 1 0 375.296 2.676 20 0 GFADRO O=C(c1cc[nH]c(=O)c1Br)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000575039229 655434624 /nfs/dbraw/zinc/43/46/24/655434624.db2.gz XGVZQEBYQDLBOT-SMDDNHRTSA-N 1 0 380.286 2.639 20 0 GFADRO C[C@H](CCC[NH3+])NS(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCCCO1 ZINC000575059367 655434889 /nfs/dbraw/zinc/43/48/89/655434889.db2.gz RQEKEJSCTDJHOK-HIFRSBDPSA-N 1 0 390.933 2.694 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)NCCC[NH2+]C(C)C ZINC000575158517 655436397 /nfs/dbraw/zinc/43/63/97/655436397.db2.gz CCAMRAYCXMUXMW-UHFFFAOYSA-N 1 0 399.333 2.773 20 0 GFADRO C[C@H]1CC[N@H+](CCNS(=O)(=O)c2cccc(Br)c2Cl)C1 ZINC000575887928 655439399 /nfs/dbraw/zinc/43/93/99/655439399.db2.gz SQKANCBBPUGDSM-JTQLQIEISA-N 1 0 381.723 2.723 20 0 GFADRO CCOc1cc(Br)c(CC(=O)N2C[C@@H](C[NH3+])C[C@H]2C)cc1OCC ZINC000261829198 655442523 /nfs/dbraw/zinc/44/25/23/655442523.db2.gz OECIFMNPJIMVDP-CHWSQXEVSA-N 1 0 399.329 2.985 20 0 GFADRO O=C(NC1CC[NH2+]CC1)c1cc(I)cc(C(F)(F)F)c1 ZINC000262494830 655445946 /nfs/dbraw/zinc/44/59/46/655445946.db2.gz BZYYCJCHJOFZFZ-UHFFFAOYSA-N 1 0 398.166 2.792 20 0 GFADRO COC[C@@]1(CNC(=O)[C@H](Oc2ccccc2Br)C(C)C)CCC[NH2+]1 ZINC000576628081 655449990 /nfs/dbraw/zinc/44/99/90/655449990.db2.gz MQWMDTGYAKMMFY-AEFFLSMTSA-N 1 0 399.329 2.737 20 0 GFADRO CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000576637631 655450221 /nfs/dbraw/zinc/45/02/21/655450221.db2.gz WDBOQXDSTRXXRX-CYBMUJFWSA-N 1 0 382.295 2.999 20 0 GFADRO O[C@@H](COc1cc(Cl)ccc1Cl)C[N@@H+]1CCC[C@@H](N2CCOCC2)C1 ZINC000576645310 655450382 /nfs/dbraw/zinc/45/03/82/655450382.db2.gz XYCSWSFYLCLKPW-HZPDHXFCSA-N 1 0 389.323 2.530 20 0 GFADRO Cc1cc(Cl)ccc1Cc1cnc(NC(=O)NC[C@H]2C[NH2+]CCO2)s1 ZINC000576685976 655450720 /nfs/dbraw/zinc/45/07/20/655450720.db2.gz MWOMIMMBCUDJSL-CQSZACIVSA-N 1 0 380.901 2.806 20 0 GFADRO O[C@H](C[NH2+]Cc1ccc(Br)cc1N1CCOCC1)CC(F)(F)F ZINC000576696037 655450953 /nfs/dbraw/zinc/45/09/53/655450953.db2.gz BMPJAJPWABJBOE-ZDUSSCGKSA-N 1 0 397.235 2.689 20 0 GFADRO CCOc1c(Br)cc(C(=O)N[C@@H]2[C@H](C)CC[NH2+][C@H]2C)cc1OC ZINC000576696389 655451015 /nfs/dbraw/zinc/45/10/15/655451015.db2.gz KNAAQRCMBBBOMT-JRPNMDOOSA-N 1 0 385.302 2.973 20 0 GFADRO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N[C@H](c1cccs1)c1ccc(Cl)cc1 ZINC000576703798 655451177 /nfs/dbraw/zinc/45/11/77/655451177.db2.gz RLLJYSBOZCSKIF-MKBNYLNASA-N 1 0 379.913 2.849 20 0 GFADRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N[C@@H](C)c2ncc(Br)cn2)C1 ZINC000576709056 655451329 /nfs/dbraw/zinc/45/13/29/655451329.db2.gz MAGWGTSBJGTLJV-UONOGXRCSA-N 1 0 398.349 2.967 20 0 GFADRO C[C@H](C[C@H](C)[NH3+])NC(=O)NCc1cnn(-c2ccc(Br)cc2)c1 ZINC000576872173 655453649 /nfs/dbraw/zinc/45/36/49/655453649.db2.gz YBGPUIXWIFUIKC-NWDGAFQWSA-N 1 0 380.290 2.560 20 0 GFADRO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1CC(=O)Nc2ccc(Br)cc21 ZINC000576915793 655454565 /nfs/dbraw/zinc/45/45/65/655454565.db2.gz KLEDXEPZTJSPLV-RISCZKNCSA-N 1 0 382.302 2.720 20 0 GFADRO Cc1cc(Br)cc(C)c1C[NH2+]C[C@H](O)CN1C[C@@H](C)O[C@@H](C)C1 ZINC000576980007 655455882 /nfs/dbraw/zinc/45/58/82/655455882.db2.gz MMGJQHJKFKTMQW-UXLLHSPISA-N 1 0 385.346 2.626 20 0 GFADRO C[NH+](C)CCOc1ccc(CNS(=O)(=O)Cc2cccc(Cl)c2)cc1 ZINC000577414849 655459099 /nfs/dbraw/zinc/45/90/99/655459099.db2.gz IYQLAWTUPYELJZ-UHFFFAOYSA-N 1 0 382.913 2.900 20 0 GFADRO C[N@@H+]1CC[C@@H](CNC(=O)C2(c3ccc(Br)cc3)CCOCC2)C1 ZINC000264260295 655459867 /nfs/dbraw/zinc/45/98/67/655459867.db2.gz JHILFDFYSMOHEQ-AWEZNQCLSA-N 1 0 381.314 2.565 20 0 GFADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)COc3ccc(Cl)cc3Cl)C2)CC1 ZINC000264371610 655462107 /nfs/dbraw/zinc/46/21/07/655462107.db2.gz FAOXVYJVEPACIH-OAHLLOKOSA-N 1 0 386.323 2.611 20 0 GFADRO C[NH+](C)CCOc1ccccc1CNC(=O)c1ncsc1Br ZINC000577671902 655464346 /nfs/dbraw/zinc/46/43/46/655464346.db2.gz NOAJHFNPDCUBKK-UHFFFAOYSA-N 1 0 384.299 2.776 20 0 GFADRO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000264497068 655465167 /nfs/dbraw/zinc/46/51/67/655465167.db2.gz HNTSGPHSWIGQPE-QGZVFWFLSA-N 1 0 380.330 2.691 20 0 GFADRO CN(CCCN1CC[NH+](C)CC1)C(=O)C1(c2ccc(Br)cc2)CC1 ZINC000264660950 655467995 /nfs/dbraw/zinc/46/79/95/655467995.db2.gz VRVFAJTVCWPKRB-UHFFFAOYSA-N 1 0 394.357 2.577 20 0 GFADRO C[NH+](C)CCCOc1cccc(NC(=O)Cn2cc(Br)cn2)c1 ZINC000264669715 655468194 /nfs/dbraw/zinc/46/81/94/655468194.db2.gz OVOIFSBSBIGPGC-UHFFFAOYSA-N 1 0 381.274 2.615 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCCN(S(=O)(=O)N(C)C)C1)c1cccc(Cl)c1Cl ZINC000577903993 655469114 /nfs/dbraw/zinc/46/91/14/655469114.db2.gz ZCROMEVHYMDQQE-NWDGAFQWSA-N 1 0 380.341 2.915 20 0 GFADRO CN(CCCN1CC[NH+](C)CC1)C(=O)/C=C/c1ccc(Br)cc1 ZINC000264765492 655469856 /nfs/dbraw/zinc/46/98/56/655469856.db2.gz OITMGJGTBSFQJE-RMKNXTFCSA-N 1 0 380.330 2.558 20 0 GFADRO Cc1ccc(-c2nc(NC(=O)C(=O)NCC(C)(C)[NH+](C)C)sc2C)s1 ZINC000577956873 655470365 /nfs/dbraw/zinc/47/03/65/655470365.db2.gz UZHLGSCVZDAJGW-UHFFFAOYSA-N 1 0 380.539 2.883 20 0 GFADRO C[C@@H](Cn1cccn1)[NH2+][C@@H](C)C(=O)N(C)Cc1ccc(Br)cc1 ZINC000264865992 655472469 /nfs/dbraw/zinc/47/24/69/655472469.db2.gz NLGXLIPRHUKNRC-KBPBESRZSA-N 1 0 379.302 2.671 20 0 GFADRO COc1ccc(I)c(NC(=O)[C@H](C(C)C)[C@@H](C)[NH3+])c1 ZINC000578185986 655473711 /nfs/dbraw/zinc/47/37/11/655473711.db2.gz BSCGWZRCQWZNSE-NOZJJQNGSA-N 1 0 376.238 2.858 20 0 GFADRO COc1ccc(I)c(NC(=O)[C@H](C(C)C)[C@H](C)[NH3+])c1 ZINC000578185988 655473745 /nfs/dbraw/zinc/47/37/45/655473745.db2.gz BSCGWZRCQWZNSE-TVQRCGJNSA-N 1 0 376.238 2.858 20 0 GFADRO CC(=O)[C@@H](NC(=O)C[NH2+][C@@H](c1cncc(Br)c1)C1CC1)C(C)C ZINC000578212181 655474147 /nfs/dbraw/zinc/47/41/47/655474147.db2.gz ZEHLUXHPUOCBRO-DLBZAZTESA-N 1 0 382.302 2.615 20 0 GFADRO OC[C@H](C[NH2+]C[C@H](O)Cc1ccccc1)Cc1cccc(Br)c1 ZINC000578358889 655477169 /nfs/dbraw/zinc/47/71/69/655477169.db2.gz MHEWOWLPSHRRAH-PKOBYXMFSA-N 1 0 378.310 2.793 20 0 GFADRO CCOc1c(Cl)cc(NC(=O)C(=O)NC[C@@H](C)C[NH+](C)C)cc1Cl ZINC000578428141 655478628 /nfs/dbraw/zinc/47/86/28/655478628.db2.gz YPTBWBUUAKXIDC-SNVBAGLBSA-N 1 0 376.284 2.645 20 0 GFADRO CCC(CC)CS(=O)(=O)N(C[C@H](O)CC(C)(C)C)C1CC[NH+](C)CC1 ZINC000578470896 655479676 /nfs/dbraw/zinc/47/96/76/655479676.db2.gz XORUUVGXMKBSBS-GOSISDBHSA-N 1 0 376.607 2.946 20 0 GFADRO O=C(NCc1nc(-c2cccs2)no1)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000578483729 655479942 /nfs/dbraw/zinc/47/99/42/655479942.db2.gz ADDKEPYQQYKLLK-CYBMUJFWSA-N 1 0 378.523 2.632 20 0 GFADRO C[C@H](Cc1cc(Br)ccc1F)[NH2+]C1CCC2(CC1)NC(=O)NC2=O ZINC000578493037 655480280 /nfs/dbraw/zinc/48/02/80/655480280.db2.gz QPNOVROWTCLJLR-OPFFKBQKSA-N 1 0 398.276 2.630 20 0 GFADRO O=S(=O)(CCN1CC[C@@]2(C1)CCC[NH2+]C2)c1cc(Cl)ccc1Cl ZINC000578507443 655480724 /nfs/dbraw/zinc/48/07/24/655480724.db2.gz RLNHGIWNMFXTGI-INIZCTEOSA-N 1 0 377.337 2.843 20 0 GFADRO CC(C)[C@H](C(=O)NCc1ccc(Br)cc1N1CCOCC1)[C@@H](C)[NH3+] ZINC000578536544 655481362 /nfs/dbraw/zinc/48/13/62/655481362.db2.gz HZOCZEMWXJVIAU-DYVFJYSZSA-N 1 0 398.345 2.521 20 0 GFADRO COC(=O)[C@H](C)CSCC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000265343518 655481755 /nfs/dbraw/zinc/48/17/55/655481755.db2.gz XZOXDPOBZWXAPX-CQSZACIVSA-N 1 0 382.551 2.716 20 0 GFADRO CN(C)CC[N@H+](C)CCCNC(=O)C(C)(C)c1ccc(Br)cc1 ZINC000578576389 655481976 /nfs/dbraw/zinc/48/19/76/655481976.db2.gz AUAZZUBBWCYHAB-UHFFFAOYSA-N 1 0 384.362 2.726 20 0 GFADRO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1cc(Cl)c(OC)c(Cl)c1 ZINC000265371013 655482174 /nfs/dbraw/zinc/48/21/74/655482174.db2.gz HVTZQKMXMYYGJJ-JTQLQIEISA-N 1 0 376.284 2.787 20 0 GFADRO COC(=O)c1cnc(N(CC[NH+](C)C)Cc2ccc(Br)cc2)nc1 ZINC000578780653 655486823 /nfs/dbraw/zinc/48/68/23/655486823.db2.gz BWOWVPCVGHFYBM-UHFFFAOYSA-N 1 0 393.285 2.594 20 0 GFADRO C[C@H]([NH2+]CCCC(=O)N(C)C)c1ccc(Br)cc1OCCCO ZINC000578784115 655486970 /nfs/dbraw/zinc/48/69/70/655486970.db2.gz ARKAWDKWAKUWEY-ZDUSSCGKSA-N 1 0 387.318 2.729 20 0 GFADRO COc1cc(NC(=O)CC[NH2+]CC[C@@H](O)C(F)(F)F)c(OC)cc1Cl ZINC000578867999 655488161 /nfs/dbraw/zinc/48/81/61/655488161.db2.gz KVEHELSPSIVSRH-CYBMUJFWSA-N 1 0 384.782 2.589 20 0 GFADRO Cn1c(COc2ccc(Cl)cc2)nnc1SC[C@H](O)C[N@H+](C)C1CC1 ZINC000578928187 655489380 /nfs/dbraw/zinc/48/93/80/655489380.db2.gz XYWPYHAWXQOOGD-CQSZACIVSA-N 1 0 382.917 2.595 20 0 GFADRO COCCOc1c(Cl)cc(NC(=O)C[NH2+]C[C@@H]2CCCO2)cc1Cl ZINC000578998065 655491206 /nfs/dbraw/zinc/49/12/06/655491206.db2.gz MHGULSQHZYINHJ-LBPRGKRZSA-N 1 0 377.268 2.726 20 0 GFADRO COc1ccc(Br)cc1C[NH2+][C@@H]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000265833826 655491520 /nfs/dbraw/zinc/49/15/20/655491520.db2.gz DOJCYCJANUCFGX-ZIAGYGMSSA-N 1 0 376.316 2.903 20 0 GFADRO CN(C)S(=O)(=O)N1CCCC[C@@H]1C[NH2+]Cc1cccc(Cl)c1Cl ZINC000579056071 655492617 /nfs/dbraw/zinc/49/26/17/655492617.db2.gz NQZNAEJGMJSFPZ-CYBMUJFWSA-N 1 0 380.341 2.744 20 0 GFADRO CCC[N@H+](CC)C[C@H](C)NC(=O)NCC(=O)Nc1ccc(Br)cc1 ZINC000579175569 655495437 /nfs/dbraw/zinc/49/54/37/655495437.db2.gz MWSNWAMWHARYGZ-ZDUSSCGKSA-N 1 0 399.333 2.807 20 0 GFADRO O[C@H](C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2)COc1cccc(Br)c1 ZINC000579196169 655495931 /nfs/dbraw/zinc/49/59/31/655495931.db2.gz HYZBMAWGNFCGOI-DZUCGIPZSA-N 1 0 382.298 2.736 20 0 GFADRO O=C(NCCNc1ncc(C(F)(F)F)cc1Cl)[C@@H]1CC12CC[NH2+]CC2 ZINC000579232042 655496243 /nfs/dbraw/zinc/49/62/43/655496243.db2.gz GABHFWFDVXIMII-NSHDSACASA-N 1 0 376.810 2.672 20 0 GFADRO COc1ccc(S(=O)(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)c(Cl)c1 ZINC000579276001 655496840 /nfs/dbraw/zinc/49/68/40/655496840.db2.gz YREAVWLKCQDCTR-HNNXBMFYSA-N 1 0 382.913 2.800 20 0 GFADRO [NH3+]C[C@@H]1CCCN(C(=O)NCc2cnn(-c3ccc(Br)cc3)c2)C1 ZINC000579453373 655499969 /nfs/dbraw/zinc/49/99/69/655499969.db2.gz GGFHQWNXWBPBKJ-ZDUSSCGKSA-N 1 0 392.301 2.515 20 0 GFADRO C[C@@]([NH3+])(C(=O)NCc1ccc2c(c1)CCO2)c1ccc(Br)cc1 ZINC000579585445 655501719 /nfs/dbraw/zinc/50/17/19/655501719.db2.gz GPJAYKXHOCDQFW-SFHVURJKSA-N 1 0 375.266 2.874 20 0 GFADRO NC(=O)c1cccc(CC[NH2+]C[C@H](O)COc2cc(Cl)ccc2Cl)c1 ZINC000579823934 655504270 /nfs/dbraw/zinc/50/42/70/655504270.db2.gz NHCIALSJZAXHFG-HNNXBMFYSA-N 1 0 383.275 2.664 20 0 GFADRO CCCC[N@H+](C)C[C@@H](C)NC(=O)C(=O)Nc1cc(C)cc(Br)c1 ZINC000580018930 655506787 /nfs/dbraw/zinc/50/67/87/655506787.db2.gz KFAQVAZKCNSJKD-CYBMUJFWSA-N 1 0 384.318 2.933 20 0 GFADRO C[C@H](NC(=O)N[C@H]1CCOc2c(Br)cccc21)[C@H]1CCC[NH2+]C1 ZINC000580053104 655507475 /nfs/dbraw/zinc/50/74/75/655507475.db2.gz XFAPHLZJCMNFJY-HUBLWGQQSA-N 1 0 382.302 2.960 20 0 GFADRO CC[N@H+](CCNC(=O)N(C)C[C@H](O)c1cccc(Br)c1)C1CC1 ZINC000840282373 661151415 /nfs/dbraw/zinc/15/14/15/661151415.db2.gz JXNFBFDCYXZNCZ-INIZCTEOSA-N 1 0 384.318 2.608 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)CCCC[NH+](C)C ZINC000580107726 655508599 /nfs/dbraw/zinc/50/85/99/655508599.db2.gz PPKCXXPNLDQSSC-UHFFFAOYSA-N 1 0 384.318 2.886 20 0 GFADRO Ic1cnc(NC[C@H]2CC[N@@H+]2Cc2ccccc2)nc1 ZINC000596557498 655516714 /nfs/dbraw/zinc/51/67/14/655516714.db2.gz IIPCSECXQNFZLB-CQSZACIVSA-N 1 0 380.233 2.768 20 0 GFADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)N(C)C[C@@H](O)c1cccc(Br)c1 ZINC000840322632 661154404 /nfs/dbraw/zinc/15/44/04/661154404.db2.gz YICREIICSZMFHD-DLBZAZTESA-N 1 0 398.345 2.998 20 0 GFADRO O=C(N[C@@]12CCC[C@@H]1[NH2+]CC2)c1cc(Cl)ccc1I ZINC000711704421 655522542 /nfs/dbraw/zinc/52/25/42/655522542.db2.gz CZQJLSOAVHYTKU-GXTWGEPZSA-N 1 0 390.652 2.959 20 0 GFADRO CCN(CCC[NH2+]Cc1cn(C)nc1Br)C(=O)OC(C)(C)C ZINC000712462278 655522705 /nfs/dbraw/zinc/52/27/05/655522705.db2.gz YGJUSJWDFPYTJY-UHFFFAOYSA-N 1 0 375.311 2.919 20 0 GFADRO CC1(CC[NH2+]Cc2c(Br)cncc2Br)OCCO1 ZINC000716005302 655523309 /nfs/dbraw/zinc/52/33/09/655523309.db2.gz HPSNOLQWTCSDQP-UHFFFAOYSA-N 1 0 380.080 2.849 20 0 GFADRO COCC[N@H+](Cc1ccc(I)cc1)C1CCOCC1 ZINC000716456433 655523612 /nfs/dbraw/zinc/52/36/12/655523612.db2.gz BTHYCNTZBVJPDA-UHFFFAOYSA-N 1 0 375.250 2.919 20 0 GFADRO C[C@@H]1[C@H](NC(=O)c2cc(Cl)ccc2I)CC[N@@H+]1C ZINC000719383991 655524383 /nfs/dbraw/zinc/52/43/83/655524383.db2.gz AQUOSCUJQRNFND-PRHODGIISA-N 1 0 378.641 2.767 20 0 GFADRO C[N@@H+]1CCC[C@H]2[C@H]1CCN2C(=O)c1ccc(F)cc1I ZINC000720824482 655524809 /nfs/dbraw/zinc/52/48/09/655524809.db2.gz IIDPJXMGPZPLCC-KGLIPLIRSA-N 1 0 388.224 2.739 20 0 GFADRO Cn1nc(Br)c2c1ncnc2N(CC[NH+](C)C)Cc1ccsc1 ZINC000840345643 661155896 /nfs/dbraw/zinc/15/58/96/661155896.db2.gz UTHXSWVLYYWJKO-UHFFFAOYSA-N 1 0 395.330 2.756 20 0 GFADRO O=S(=O)(/C=C/c1ccccc1Br)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000727452036 655545646 /nfs/dbraw/zinc/54/56/46/655545646.db2.gz MCFVBNHMTAZIAL-NKRQLWMJSA-N 1 0 385.327 2.966 20 0 GFADRO CC(C)[NH2+][C@H]1CCCN(C(=O)c2cn(-c3ccccc3Br)nn2)C1 ZINC000728606515 655557710 /nfs/dbraw/zinc/55/77/10/655557710.db2.gz PDLTWYZVHJWSTO-ZDUSSCGKSA-N 1 0 392.301 2.632 20 0 GFADRO CN(C[C@H](O)c1cccc(Br)c1)C(=O)NCCCC[N@H+](C)C1CC1 ZINC000840387998 661159654 /nfs/dbraw/zinc/15/96/54/661159654.db2.gz DSRYMQNKSRCVOJ-KRWDZBQOSA-N 1 0 398.345 2.998 20 0 GFADRO O[C@@H](COc1ccc(Cl)c(Cl)c1)C[N@@H+]1CCCC[C@@H]1C1OCCO1 ZINC000729543663 655565920 /nfs/dbraw/zinc/56/59/20/655565920.db2.gz LYTJLFCCZIOEIZ-MLGOLLRUSA-N 1 0 376.280 2.961 20 0 GFADRO Cc1ccc(/C=C/C(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c(Br)c1 ZINC000730083121 655571598 /nfs/dbraw/zinc/57/15/98/655571598.db2.gz CIBJLSNNTGTEND-HNGSOEQISA-N 1 0 393.325 2.828 20 0 GFADRO S=c1n(CN2CC[C@@H]([NH+]3CCCCC3)C2)nnn1-c1ccc(Cl)cc1 ZINC000730805687 655578086 /nfs/dbraw/zinc/57/80/86/655578086.db2.gz VRFIPEIMNBFMFL-MRXNPFEDSA-N 1 0 378.933 2.969 20 0 GFADRO CCNS(=O)(=O)CC[NH2+]Cc1ccc(-c2cccc(Br)c2)o1 ZINC000731677818 655585635 /nfs/dbraw/zinc/58/56/35/655585635.db2.gz VNAJUSVUBHVFIA-UHFFFAOYSA-N 1 0 387.299 2.738 20 0 GFADRO C[C@@H](CNC(=O)N1CCC(n2cc(Br)cn2)CC1)[NH+]1CCCCC1 ZINC000731756280 655586586 /nfs/dbraw/zinc/58/65/86/655586586.db2.gz IHCOUMOQALVSDN-AWEZNQCLSA-N 1 0 398.349 2.867 20 0 GFADRO CO[C@@H](CNC(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)C(F)(F)F ZINC000733345503 655613063 /nfs/dbraw/zinc/61/30/63/655613063.db2.gz XAJBYENRUDOEMD-JSGCOSHPSA-N 1 0 379.448 2.837 20 0 GFADRO CC(C)C[C@H](CNC(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1)[NH+](C)C ZINC000733884327 655622812 /nfs/dbraw/zinc/62/28/12/655622812.db2.gz QVLMPKZMYLWMRY-CYBMUJFWSA-N 1 0 380.432 2.686 20 0 GFADRO O=S(=O)(NC1CC[NH+](C[C@H]2CCCO2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000734244731 655628515 /nfs/dbraw/zinc/62/85/15/655628515.db2.gz WSPQOBFUKJEAOI-CYBMUJFWSA-N 1 0 393.336 2.915 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CNC(=S)NCc1nc(-c2cccc(Cl)c2)no1 ZINC000734310376 655628994 /nfs/dbraw/zinc/62/89/94/655628994.db2.gz LQOJFSAIXAQNEX-CQSZACIVSA-N 1 0 379.917 2.838 20 0 GFADRO Cc1cc(S(=O)(=O)N(C)c2ccc(OCC[NH+](C)C)cc2)cnc1Cl ZINC000735315585 655644895 /nfs/dbraw/zinc/64/48/95/655644895.db2.gz XEJCBQONVYJZOJ-UHFFFAOYSA-N 1 0 383.901 2.809 20 0 GFADRO CC[NH+]1CCN(c2ccc(CNCc3occc3Br)cn2)CC1 ZINC000735320767 655645290 /nfs/dbraw/zinc/64/52/90/655645290.db2.gz LZMAGQVWTKJKIR-UHFFFAOYSA-N 1 0 379.302 2.869 20 0 GFADRO Ic1cnn(CN2CC[NH+](CC3CCCCC3)CC2)c1 ZINC000738031565 655684024 /nfs/dbraw/zinc/68/40/24/655684024.db2.gz ZGTROBSPRQRMLH-UHFFFAOYSA-N 1 0 388.297 2.643 20 0 GFADRO S=c1n(Cc2cccs2)nnn1CN1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000738263899 655688569 /nfs/dbraw/zinc/68/85/69/655688569.db2.gz ANSIKDCQYVVMIF-HNNXBMFYSA-N 1 0 378.571 2.827 20 0 GFADRO OC1(C[NH2+]Cc2ccccc2I)Cc2ccccc2C1 ZINC000738441582 655690917 /nfs/dbraw/zinc/69/09/17/655690917.db2.gz YNVAKJUYQQGAOY-UHFFFAOYSA-N 1 0 379.241 2.911 20 0 GFADRO C[C@@H]1C[C@@H](C)[N@H+](CN2C(=O)N[C@](C)(c3ccc(Br)cc3)C2=O)C1 ZINC000740862588 655700013 /nfs/dbraw/zinc/70/00/13/655700013.db2.gz YHUKBSRRVABSRR-PSTGCABASA-N 1 0 380.286 2.904 20 0 GFADRO C[C@@H]1C[C@@H](N(C)C(=O)c2cn(-c3ccccc3Br)nn2)CC[N@@H+]1C ZINC000741590215 655706889 /nfs/dbraw/zinc/70/68/89/655706889.db2.gz DEVXORQTMXTKOP-OLZOCXBDSA-N 1 0 392.301 2.585 20 0 GFADRO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]CCOC1CCCCC1 ZINC000742717446 655720433 /nfs/dbraw/zinc/72/04/33/655720433.db2.gz GXMLZQZKPPBIQW-AWEZNQCLSA-N 1 0 389.949 2.643 20 0 GFADRO CC[C@@H](CO)[NH+]1CCN(C(=S)Nc2ccc(OC(F)(F)F)cc2)CC1 ZINC000743017844 655724794 /nfs/dbraw/zinc/72/47/94/655724794.db2.gz IRYFDZPGZLNJLX-ZDUSSCGKSA-N 1 0 377.432 2.671 20 0 GFADRO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)Nc1ccc(Cl)c(C[S@@](C)=O)c1 ZINC000743417280 655728923 /nfs/dbraw/zinc/72/89/23/655728923.db2.gz VCODXOQRHSEQRD-SSOJOUAXSA-N 1 0 386.945 2.950 20 0 GFADRO O=S(=O)(CC[NH2+][C@@H]1CCC[C@@H](c2ccc(Cl)cc2)C1)N1CCOCC1 ZINC000840729015 661180045 /nfs/dbraw/zinc/18/00/45/661180045.db2.gz YCOHLWZPSKWXQY-SJLPKXTDSA-N 1 0 386.945 2.618 20 0 GFADRO NC(C[NH+]1CCCCCC1)=NOCc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000747834705 655784149 /nfs/dbraw/zinc/78/41/49/655784149.db2.gz PDPZCVIFAKIEIA-UHFFFAOYSA-N 1 0 375.441 2.557 20 0 GFADRO C[NH+](C)[C@@]1(CNC(=O)NCc2ccc(Br)cc2F)CCSC1 ZINC000748633972 655792978 /nfs/dbraw/zinc/79/29/78/655792978.db2.gz VIIQRTOLOLFSDT-OAHLLOKOSA-N 1 0 390.322 2.825 20 0 GFADRO O=C(NCc1ccccc1C[NH+]1CCC(O)CC1)NC[C@@H]1CC1(Cl)Cl ZINC000749540797 655805727 /nfs/dbraw/zinc/80/57/27/655805727.db2.gz AAHMJTAQSMELSY-HNNXBMFYSA-N 1 0 386.323 2.636 20 0 GFADRO CC[C@@H](C[NH+]1CCCC1)NS(=O)(=O)c1cc(Br)cnc1Cl ZINC000751254439 655824014 /nfs/dbraw/zinc/82/40/14/655824014.db2.gz RQHQQZRBFJXVCK-NSHDSACASA-N 1 0 396.738 2.650 20 0 GFADRO COCCn1cc(C[NH2+]C[C@@](O)(c2ccc(Cl)cc2)C(F)(F)F)cn1 ZINC000751504986 655830150 /nfs/dbraw/zinc/83/01/50/655830150.db2.gz MNLAYJMAEHJKKV-OAHLLOKOSA-N 1 0 377.794 2.723 20 0 GFADRO CS(=O)(=O)Cc1ccc(C[NH2+]C[C@H](O)c2ccccc2Br)cc1 ZINC000751574236 655831104 /nfs/dbraw/zinc/83/11/04/655831104.db2.gz HNLTWHZEGBTSHE-KRWDZBQOSA-N 1 0 398.322 2.817 20 0 GFADRO O=C(/C=C/c1ccc(Br)o1)N1CC[C@H](OCC[NH+]2CCCC2)C1 ZINC000752101379 655839631 /nfs/dbraw/zinc/83/96/31/655839631.db2.gz JHLMTRZCBVYIMP-DRDHIDPGSA-N 1 0 383.286 2.769 20 0 GFADRO C[C@@H](CNC(=O)C(=O)Nc1c(F)cccc1Br)[NH+]1CCCCC1 ZINC000752726401 655845886 /nfs/dbraw/zinc/84/58/86/655845886.db2.gz NCKILIBNFFEGJK-NSHDSACASA-N 1 0 386.265 2.517 20 0 GFADRO Cn1c(C(=O)NCCOCC[NH+](C)C)ccc1-c1ccc(Br)cc1 ZINC000753435614 655854519 /nfs/dbraw/zinc/85/45/19/655854519.db2.gz WDZQMYQGAPYWKM-UHFFFAOYSA-N 1 0 394.313 2.763 20 0 GFADRO CCC1(C(=O)Nc2cc(Br)ccc2N2CC[NH+](C)CC2)COC1 ZINC000755127270 655879958 /nfs/dbraw/zinc/87/99/58/655879958.db2.gz SNCBLPPQCNCJOZ-UHFFFAOYSA-N 1 0 382.302 2.566 20 0 GFADRO CS(=O)(=O)c1ccc(C[NH2+]Cc2ccc(N3CCCCC3=O)cc2)s1 ZINC000840884160 661198473 /nfs/dbraw/zinc/19/84/73/661198473.db2.gz JUUOAUKUMVFNGR-UHFFFAOYSA-N 1 0 378.519 2.958 20 0 GFADRO Cc1nc2ccc(C[NH2+]CCNS(=O)(=O)Cc3ccccc3)cc2s1 ZINC000755195738 655881110 /nfs/dbraw/zinc/88/11/10/655881110.db2.gz QRKMEHLMQSPNGV-UHFFFAOYSA-N 1 0 375.519 2.814 20 0 GFADRO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)NC[C@H]1CCC[N@H+]1C ZINC000755372367 655882624 /nfs/dbraw/zinc/88/26/24/655882624.db2.gz SAZQNPNVFOVRBN-GFCCVEGCSA-N 1 0 379.254 2.688 20 0 GFADRO Cn1ccnc1[C@H]1CC[N@H+](Cn2ccc(=O)c3cccc(Br)c32)C1 ZINC000755793127 655889113 /nfs/dbraw/zinc/88/91/13/655889113.db2.gz YFZCXJFFNHSOJG-ZDUSSCGKSA-N 1 0 387.281 2.945 20 0 GFADRO O=S(=O)(Cc1ccc(F)c(Cl)c1)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000755948297 655891693 /nfs/dbraw/zinc/89/16/93/655891693.db2.gz IHXIECCOJOOMQY-OAHLLOKOSA-N 1 0 390.908 2.542 20 0 GFADRO Clc1ccc(-n2cc(CNC[C@H]3C[N@@H+]4CCC[C@H]4CO3)nn2)c(Cl)c1 ZINC000756025592 655893453 /nfs/dbraw/zinc/89/34/53/655893453.db2.gz MKPQWUGZEOXHTK-GJZGRUSLSA-N 1 0 382.295 2.527 20 0 GFADRO COC(=O)c1cc(S(=O)(=O)Nc2ccccc2C[NH+](C)C)ccc1Cl ZINC000757500681 655912913 /nfs/dbraw/zinc/91/29/13/655912913.db2.gz PRRLVNJIQKYNRP-UHFFFAOYSA-N 1 0 382.869 2.989 20 0 GFADRO CCS(=O)(=O)N1CCC(C[NH2+]Cc2ccc(CSC(F)F)o2)CC1 ZINC000758015081 655921532 /nfs/dbraw/zinc/92/15/32/655921532.db2.gz LGCNLXBTKLZCTL-UHFFFAOYSA-N 1 0 382.498 2.887 20 0 GFADRO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]C[C@H](C)c1nccs1 ZINC000758045428 655922113 /nfs/dbraw/zinc/92/21/13/655922113.db2.gz JXYNWMBGLJZFBJ-JQWIXIFHSA-N 1 0 388.946 2.554 20 0 GFADRO COC1CC[NH+](C(C)(C)CNC(=O)c2scnc2Br)CC1 ZINC000758110612 655923187 /nfs/dbraw/zinc/92/31/87/655923187.db2.gz ZSWZKVGNSFTEOZ-UHFFFAOYSA-N 1 0 376.320 2.525 20 0 GFADRO CC[NH+](CC)CCOCCNC(=O)NCc1ccc(Br)cc1F ZINC000758478795 655933888 /nfs/dbraw/zinc/93/38/88/655933888.db2.gz HCWNNYKGQDRTFB-UHFFFAOYSA-N 1 0 390.297 2.746 20 0 GFADRO Cc1ccccc1[C@H]([C@@H](C)NC(=O)c1cc(Br)nn1C)[NH+](C)C ZINC000759325628 655952898 /nfs/dbraw/zinc/95/28/98/655952898.db2.gz YRZNHIKRKFNNEK-WBMJQRKESA-N 1 0 379.302 2.912 20 0 GFADRO CC[C@@H](CO)[NH+]1CCN(C(=O)/C=C/c2ccc(C)cc2Br)CC1 ZINC000759634342 655959717 /nfs/dbraw/zinc/95/97/17/655959717.db2.gz VPNLKTLTIJKYGZ-MOEXGYKKSA-N 1 0 381.314 2.686 20 0 GFADRO CCc1ccc(C[NH2+]Cc2ccc(CS(=O)(=O)CC(=O)OC)cc2)s1 ZINC000759839260 655964921 /nfs/dbraw/zinc/96/49/21/655964921.db2.gz OKESKJUCJGWCPF-UHFFFAOYSA-N 1 0 381.519 2.688 20 0 GFADRO O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1cnn(-c2ccccc2)c1Br ZINC000760183203 655971617 /nfs/dbraw/zinc/97/16/17/655971617.db2.gz PDXYASOFRLJMEG-ZFWWWQNUSA-N 1 0 389.297 2.991 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)c2cnn(C)c2Br)C1 ZINC000760277072 655974280 /nfs/dbraw/zinc/97/42/80/655974280.db2.gz XIFRYYVRPZNQOQ-KGLIPLIRSA-N 1 0 383.334 2.909 20 0 GFADRO C[NH+]1CCC(CNC(=S)NC[C@@H]2CCN(c3ccc(Cl)cc3)C2)CC1 ZINC000760476346 655982150 /nfs/dbraw/zinc/98/21/50/655982150.db2.gz NAOQBPSARYICMY-INIZCTEOSA-N 1 0 380.989 2.972 20 0 GFADRO C[NH+]1CCC(CNC(=S)NC[C@H](O)c2ccc(Cl)cc2Cl)CC1 ZINC000760488005 655982556 /nfs/dbraw/zinc/98/25/56/655982556.db2.gz VLMPMASZMPNXJJ-HNNXBMFYSA-N 1 0 376.353 2.833 20 0 GFADRO C[NH+]1CCC(CNC(=S)N[C@H]2CCN(c3ccc(Cl)c(F)c3)C2)CC1 ZINC000760499717 655982743 /nfs/dbraw/zinc/98/27/43/655982743.db2.gz NVLWNHOOLSSDDY-AWEZNQCLSA-N 1 0 384.952 2.864 20 0 GFADRO COCC[N@@H+]1CC[C@H](N2C(=O)[C@@H](c3ccc(Cl)c(Cl)c3)N(C)C2=O)C1 ZINC000761254998 656005423 /nfs/dbraw/zinc/00/54/23/656005423.db2.gz KOJUHKSHDVGOCR-SWLSCSKDSA-N 1 0 386.279 2.649 20 0 GFADRO O=C(N[C@@H]1CC[C@@H]2SCCS[C@H]12)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000763181430 656074698 /nfs/dbraw/zinc/07/46/98/656074698.db2.gz UXERUAHJPDUMCY-ZJPYXAASSA-N 1 0 377.579 2.789 20 0 GFADRO C[C@@H](C[C@@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]CCC(C)(C)S(C)(=O)=O ZINC000840960020 661220395 /nfs/dbraw/zinc/22/03/95/661220395.db2.gz BQSSMASWTOJWSK-GJZGRUSLSA-N 1 0 376.563 2.967 20 0 GFADRO C[C@@H](CNC(=O)c1ccnc(Cl)c1I)[NH+]1CCCC1 ZINC000763749730 656092477 /nfs/dbraw/zinc/09/24/77/656092477.db2.gz RNDITQYQYFDOSI-VIFPVBQESA-N 1 0 393.656 2.554 20 0 GFADRO O=C(Nc1cc2c(cc1Br)OCCO2)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000841013900 661226821 /nfs/dbraw/zinc/22/68/21/661226821.db2.gz AKZCSHACOPXDRF-SDDRHHMPSA-N 1 0 396.285 2.730 20 0 GFADRO O=C(Nc1cc2c(cc1Br)OCCO2)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000841013967 661227372 /nfs/dbraw/zinc/22/73/72/661227372.db2.gz CGRMANBQXQTJRS-MNOVXSKESA-N 1 0 382.258 2.579 20 0 GFADRO NC(=O)N1CCC([NH2+]CCSc2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000765357812 656141191 /nfs/dbraw/zinc/14/11/91/656141191.db2.gz CLEXNXUGJLRUIK-UHFFFAOYSA-N 1 0 382.839 2.979 20 0 GFADRO CC[N@@H+]1C[C@H](C)N(C(=O)/C=C/c2ccc(I)o2)C[C@@H]1C ZINC000765923724 656154973 /nfs/dbraw/zinc/15/49/73/656154973.db2.gz JBKNARYDCUHEQA-BIVWETNQSA-N 1 0 388.249 2.839 20 0 GFADRO C[C@@H]([NH2+]CCCOC[C@@H]1CCOC1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000766122052 656162344 /nfs/dbraw/zinc/16/23/44/656162344.db2.gz JSBYDAXYJYKHOM-KGLIPLIRSA-N 1 0 377.453 2.777 20 0 GFADRO C[C@@H]1CN(C(=O)Nc2cnc(Br)c(Br)c2)CC[C@@H]1[NH3+] ZINC000841141226 661237123 /nfs/dbraw/zinc/23/71/23/661237123.db2.gz HDHXWKHOEJPCSV-XCBNKYQSSA-N 1 0 392.095 2.808 20 0 GFADRO C[C@H]1CN(C(=O)C(=O)Nc2ccc3cc(Br)ccc3c2)CC[C@H]1[NH3+] ZINC000841176120 661241683 /nfs/dbraw/zinc/24/16/83/661241683.db2.gz LLTCUCINVZKXSD-MEDUHNTESA-N 1 0 390.281 2.737 20 0 GFADRO [NH3+]C[C@@H]1CCCN(C(=O)C(=O)Nc2ccc3cc(Br)ccc3c2)C1 ZINC000841158561 661239878 /nfs/dbraw/zinc/23/98/78/661239878.db2.gz SHOHSZHQQUZUGN-LBPRGKRZSA-N 1 0 390.281 2.738 20 0 GFADRO O[C@@H](C[NH2+]C1CC(C(F)F)C1)COc1ccc(I)cc1 ZINC000768684724 656248931 /nfs/dbraw/zinc/24/89/31/656248931.db2.gz GUERPGJUFOYPGJ-NHNAUAITSA-N 1 0 397.203 2.664 20 0 GFADRO C[C@H](CCC1CC1)[NH2+][C@@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000769418992 656275358 /nfs/dbraw/zinc/27/53/58/656275358.db2.gz XIQQMFFUKDAIFJ-KGLIPLIRSA-N 1 0 388.555 2.642 20 0 GFADRO CC[C@H]1CN(C(=O)C(=O)Nc2ccccc2SC(F)(F)F)CC[C@@H]1[NH3+] ZINC000841226850 661246068 /nfs/dbraw/zinc/24/60/68/661246068.db2.gz BUFFLPMBISECPK-QWRGUYRKSA-N 1 0 375.416 2.823 20 0 GFADRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)Nc1cc(C(F)(F)F)cc(Br)n1 ZINC000841241122 661247803 /nfs/dbraw/zinc/24/78/03/661247803.db2.gz DKUYHJKBXCNTPE-CBAPKCEASA-N 1 0 381.196 2.982 20 0 GFADRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)Nc2cccnc2Br)C1 ZINC000770271584 656313512 /nfs/dbraw/zinc/31/35/12/656313512.db2.gz UVNQSQKQRRHGFZ-CYBMUJFWSA-N 1 0 385.306 2.809 20 0 GFADRO C[C@H]([NH3+])[C@H](C)NC(=O)C(=O)Nc1ccccc1SC[C@@H]1CC1(Cl)Cl ZINC000841258623 661250169 /nfs/dbraw/zinc/25/01/69/661250169.db2.gz YTWVPNSPVQEHPR-DCAQKATOSA-N 1 0 390.336 2.763 20 0 GFADRO COC(=O)C[C@@]1([NH2+]CC(=O)Nc2ccc(Cl)c(Cl)c2)CCCOC1 ZINC000770711429 656327748 /nfs/dbraw/zinc/32/77/48/656327748.db2.gz VHPDSEXZFGPAOU-INIZCTEOSA-N 1 0 375.252 2.634 20 0 GFADRO [NH3+]CC[C@@H](NC(=O)NOCc1ccc(F)cc1Br)C(F)(F)F ZINC000841332976 661252256 /nfs/dbraw/zinc/25/22/56/661252256.db2.gz KLJCJSYPABJZNQ-SNVBAGLBSA-N 1 0 388.159 2.599 20 0 GFADRO CCNS(=O)(=O)CC[NH2+][C@@H]1CCSc2ccc(Br)cc21 ZINC000772977687 656396049 /nfs/dbraw/zinc/39/60/49/656396049.db2.gz IPFOKBXUWSCQAS-GFCCVEGCSA-N 1 0 379.345 2.515 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1cccnc1Cl)c1ccc(Cl)cc1 ZINC000774287644 656514263 /nfs/dbraw/zinc/51/42/63/656514263.db2.gz HEIVHSZAQRBFFV-AWEZNQCLSA-N 1 0 381.263 2.746 20 0 GFADRO O=S1(=O)CC[C@@H]([NH2+]CCCCCCO)c2cc(Br)ccc21 ZINC000775532136 656647316 /nfs/dbraw/zinc/64/73/16/656647316.db2.gz RBLMGSACHNSTCK-CQSZACIVSA-N 1 0 376.316 2.810 20 0 GFADRO COC(=O)N1CCC[C@H]([C@H](C)[NH2+]CC(=O)Nc2ccccc2Br)C1 ZINC000775812884 656682488 /nfs/dbraw/zinc/68/24/88/656682488.db2.gz PVPXDNFFKOYENV-STQMWFEESA-N 1 0 398.301 2.844 20 0 GFADRO Cc1cnc(Br)cc1NC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000776038131 656704361 /nfs/dbraw/zinc/70/43/61/656704361.db2.gz CVDUZQVNHODFHX-ZDUSSCGKSA-N 1 0 385.306 2.631 20 0 GFADRO Cc1cnc(Br)cc1NC(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000776052187 656708890 /nfs/dbraw/zinc/70/88/90/656708890.db2.gz GDYYPXTUCTZEKX-HUUCEWRRSA-N 1 0 397.317 2.652 20 0 GFADRO COC(=O)c1sc(S(=O)(=O)NCCCC[N@H+](C)C2CC2)c(C)c1Cl ZINC000841527561 661291282 /nfs/dbraw/zinc/29/12/82/661291282.db2.gz RTQYSAJSGQCNBK-UHFFFAOYSA-N 1 0 394.946 2.649 20 0 GFADRO CS[C@@H]1CC[C@@H]([NH2+]Cc2c(C)nn([C@H]3CCS(=O)(=O)C3)c2Cl)C1 ZINC000776698880 656785067 /nfs/dbraw/zinc/78/50/67/656785067.db2.gz DFPMHGCNGOSEJK-FRRDWIJNSA-N 1 0 377.963 2.578 20 0 GFADRO OC[C@]1([NH2+][C@@H]2CC[C@H]3SCCS[C@@H]23)CCCN(Cc2ccccc2)C1 ZINC000777027318 656804313 /nfs/dbraw/zinc/80/43/13/656804313.db2.gz WUEUUYAIRFCPJK-ZRNYENFQSA-N 1 0 378.607 2.983 20 0 GFADRO C=C1[NH+]=C(SC[C@H](O)CSC)N[C@@H](c2ccccc2)C1C(=O)OCC ZINC000777662510 656831713 /nfs/dbraw/zinc/83/17/13/656831713.db2.gz WSTHWNBDEFGCLK-ZBFHGGJFSA-N 1 0 380.535 2.981 20 0 GFADRO CC[S@](=O)CC[NH2+][C@H](c1ccc(C)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000779061390 656898361 /nfs/dbraw/zinc/89/83/61/656898361.db2.gz OBOATRGUNHWRSU-DVECYGJZSA-N 1 0 379.547 2.846 20 0 GFADRO O=C(C[NH2+]C[C@H]1CC1(Cl)Cl)N1CCN(c2cccc(Cl)c2)CC1 ZINC000779340604 656921066 /nfs/dbraw/zinc/92/10/66/656921066.db2.gz IYDSEBWCBSULFB-GFCCVEGCSA-N 1 0 376.715 2.772 20 0 GFADRO COC(=O)C1=C(C)O[C@@H](C[NH2+]C(C)(C)COc2ncccc2Br)C1 ZINC000779603052 656933254 /nfs/dbraw/zinc/93/32/54/656933254.db2.gz CTPSEWQORUEWFI-GFCCVEGCSA-N 1 0 399.285 2.827 20 0 GFADRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NOCc1ccc(F)cc1Br ZINC000780536053 657012288 /nfs/dbraw/zinc/01/22/88/657012288.db2.gz MORAFJICIYUUHX-BONVTDFDSA-N 1 0 386.265 2.802 20 0 GFADRO CCc1cccnc1[C@H](C)[NH2+]CC1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000780723657 657025974 /nfs/dbraw/zinc/02/59/74/657025974.db2.gz JJIGNGMPYPMFPE-LBPRGKRZSA-N 1 0 379.448 2.856 20 0 GFADRO CCOc1ccc(Br)cc1S(=O)(=O)NCC[N@H+](CC)C(C)C ZINC000780857251 657033365 /nfs/dbraw/zinc/03/33/65/657033365.db2.gz UZSZEQJAKCGNFV-UHFFFAOYSA-N 1 0 393.347 2.856 20 0 GFADRO C[C@@H]1CCC[N@@H+]1CCNS(=O)(=O)c1ccc(Br)c(Cl)c1 ZINC000780864726 657033930 /nfs/dbraw/zinc/03/39/30/657033930.db2.gz ANGOXUBIHKJWTQ-SNVBAGLBSA-N 1 0 381.723 2.865 20 0 GFADRO NC(=O)C1CC[NH+](Cc2cccc(NC(=O)c3csc(Cl)n3)c2)CC1 ZINC000781906188 657087601 /nfs/dbraw/zinc/08/76/01/657087601.db2.gz ZETSYJODCYMJOK-UHFFFAOYSA-N 1 0 378.885 2.746 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CNC(=O)c1cnn(-c2ccccc2)c1Br ZINC000782163528 657108772 /nfs/dbraw/zinc/10/87/72/657108772.db2.gz FHXPHLKDVBEASU-AWEZNQCLSA-N 1 0 377.286 2.849 20 0 GFADRO CS[C@H]1CN(S(=O)(=O)c2cccc3c2CCCC3)C[C@@H]1[NH+]1CCCC1 ZINC000782483898 657149266 /nfs/dbraw/zinc/14/92/66/657149266.db2.gz RLNTYCFKRJIRGB-ROUUACIJSA-N 1 0 380.579 2.766 20 0 GFADRO CS[C@@H]1CN(S(=O)(=O)c2cccc3c2CCCC3)C[C@@H]1[NH+]1CCCC1 ZINC000782483902 657149485 /nfs/dbraw/zinc/14/94/85/657149485.db2.gz RLNTYCFKRJIRGB-ZWKOTPCHSA-N 1 0 380.579 2.766 20 0 GFADRO COC(=O)C[C@]1([NH2+]CCOc2cc(F)cc(Br)c2)CCCOC1 ZINC000782543410 657156231 /nfs/dbraw/zinc/15/62/31/657156231.db2.gz KOULPEPTEYYTDF-MRXNPFEDSA-N 1 0 390.249 2.669 20 0 GFADRO O=C(COc1cccc(I)c1)OCC[NH+]1CCCCC1 ZINC000785288129 657352336 /nfs/dbraw/zinc/35/23/36/657352336.db2.gz XYYDFBBPZUHINE-UHFFFAOYSA-N 1 0 389.233 2.699 20 0 GFADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1S(=O)(=O)/C=C/c1ccc(Cl)cc1 ZINC000785315116 657354622 /nfs/dbraw/zinc/35/46/22/657354622.db2.gz RWHUFCJTJCMURH-NRUITVPNSA-N 1 0 384.929 2.826 20 0 GFADRO CCN(CC)C(=O)[C@@H](Cc1ccccc1)[NH2+]Cc1cc(Br)nn1C ZINC000785410244 657362390 /nfs/dbraw/zinc/36/23/90/657362390.db2.gz DOJDLQRXSLYANZ-MRXNPFEDSA-N 1 0 393.329 2.752 20 0 GFADRO C[C@@H]([NH2+]Cc1cc(Br)nn1C)c1cccc(N2CCOC2=O)c1 ZINC000785438837 657364940 /nfs/dbraw/zinc/36/49/40/657364940.db2.gz KOXRSXQWOMRILE-LLVKDONJSA-N 1 0 379.258 2.990 20 0 GFADRO C[C@@H]([NH2+]Cc1cc(Br)nn1C)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000785475783 657367137 /nfs/dbraw/zinc/36/71/37/657367137.db2.gz SNVGYYAUQWCKMH-RHSMWYFYSA-N 1 0 393.329 2.562 20 0 GFADRO COC(=O)c1ccc(CNC(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)c(Br)c1 ZINC000785581758 657376961 /nfs/dbraw/zinc/37/69/61/657376961.db2.gz UYJUFVCGVTWNFM-SMDDNHRTSA-N 1 0 398.301 2.518 20 0 GFADRO CN1CC[NH+](CCCCNC(=O)c2ccc(OC(F)(F)Cl)cc2)CC1 ZINC000786953968 657494953 /nfs/dbraw/zinc/49/49/53/657494953.db2.gz MAIQHPYVYASKOF-UHFFFAOYSA-N 1 0 375.847 2.612 20 0 GFADRO COC(=O)[C@H]1CC[N@H+](Cn2nc(-c3ccc(Br)cc3)nc2C)[C@@H]1C ZINC000787239352 657531754 /nfs/dbraw/zinc/53/17/54/657531754.db2.gz NOBJMIWCAWWKHB-ABAIWWIYSA-N 1 0 393.285 2.857 20 0 GFADRO Cn1nc(Br)cc1CN1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000787272415 657535715 /nfs/dbraw/zinc/53/57/15/657535715.db2.gz QLJODBIVAXHFLI-UHFFFAOYSA-N 1 0 385.350 2.507 20 0 GFADRO COc1cc(C(=O)N[C@H](C)C[NH+]2C[C@H](C)C[C@@H](C)C2)cnc1Br ZINC000788173545 657667208 /nfs/dbraw/zinc/66/72/08/657667208.db2.gz DYFLSRQDLPRWJZ-JHJVBQTASA-N 1 0 384.318 2.949 20 0 GFADRO COc1cc(C(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)cnc1Br ZINC000788228625 657678190 /nfs/dbraw/zinc/67/81/90/657678190.db2.gz KSYVAESOMZQTNE-ZDUSSCGKSA-N 1 0 382.302 2.657 20 0 GFADRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cc(Br)n[nH]1 ZINC000788303786 657693475 /nfs/dbraw/zinc/69/34/75/657693475.db2.gz ACNJLLFRGUXMNO-CQSZACIVSA-N 1 0 377.286 2.766 20 0 GFADRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)c1cc(Br)n[nH]1 ZINC000788308149 657694475 /nfs/dbraw/zinc/69/44/75/657694475.db2.gz VBBKTHQNNAPXBE-CYBMUJFWSA-N 1 0 377.286 2.909 20 0 GFADRO CCC(CC)[C@H](CNS(=O)(=O)c1ccc2nc(Cl)cnc2c1)[NH+](C)C ZINC000788919402 657797801 /nfs/dbraw/zinc/79/78/01/657797801.db2.gz ITOUXVWSPJZNMX-INIZCTEOSA-N 1 0 384.933 2.928 20 0 GFADRO C[C@@H]1CN(CC[N@H+](C)C[C@H](O)c2ccc(F)c(Br)c2)C[C@H](C)O1 ZINC000789328490 657838241 /nfs/dbraw/zinc/83/82/41/657838241.db2.gz ABXAEUUDDHQBSJ-AHIWAGSCSA-N 1 0 389.309 2.663 20 0 GFADRO COc1nc(Br)ccc1NC(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000789380580 657845287 /nfs/dbraw/zinc/84/52/87/657845287.db2.gz VLXNDJFDIBLXOQ-UHFFFAOYSA-N 1 0 392.257 2.602 20 0 GFADRO C[N@@H+]1CCN(CCCNC(=O)c2nc(Cl)cs2)[C@H](c2ccccc2)C1 ZINC000789894814 657897938 /nfs/dbraw/zinc/89/79/38/657897938.db2.gz MGISWPRRNMVKCP-HNNXBMFYSA-N 1 0 378.929 2.905 20 0 GFADRO O=C(NCCCN1CC[NH+](Cc2ccccc2)CC1)c1nc(Cl)cs1 ZINC000789895104 657897972 /nfs/dbraw/zinc/89/79/72/657897972.db2.gz XBMBQYTZOYRQIK-UHFFFAOYSA-N 1 0 378.929 2.734 20 0 GFADRO C[NH+](C)Cc1ccc(S(=O)(=O)N2CC[C@@]3(C)[C@@H](C2)C3(Cl)Cl)cc1 ZINC000790376335 657962505 /nfs/dbraw/zinc/96/25/05/657962505.db2.gz DGOYSEMDJJYCCO-CABCVRRESA-N 1 0 377.337 2.953 20 0 GFADRO CC[NH+](CC)C[C@H](C)NS(=O)(=O)c1cc(Br)cc(F)c1OC ZINC000790879649 658039416 /nfs/dbraw/zinc/03/94/16/658039416.db2.gz IZCXSLOCXTVLFV-JTQLQIEISA-N 1 0 397.310 2.605 20 0 GFADRO C[NH+](C)CCN(CCCc1ccccc1)C(=O)c1cc(Br)n[nH]1 ZINC000791339976 658083227 /nfs/dbraw/zinc/08/32/27/658083227.db2.gz NUXNNCOTVDUOPK-UHFFFAOYSA-N 1 0 379.302 2.809 20 0 GFADRO C[NH+](C)CCCOC(=O)c1ccc2cc(I)ccc2n1 ZINC000792280903 658262023 /nfs/dbraw/zinc/26/20/23/658262023.db2.gz JVCRQDRRZYZMMJ-UHFFFAOYSA-N 1 0 384.217 2.948 20 0 GFADRO C[C@@H]1CCC[N@@H+]1CCNC(=O)c1nc(Br)ccc1Br ZINC000792461438 658284084 /nfs/dbraw/zinc/28/40/84/658284084.db2.gz YHNNPIJANWDXLV-SECBINFHSA-N 1 0 391.107 2.821 20 0 GFADRO CC(C)(C)OC(=O)NCC[C@@H](O)C[NH2+]Cc1cc(F)ccc1Br ZINC000792959600 658335215 /nfs/dbraw/zinc/33/52/15/658335215.db2.gz OKYIIRHXMCDODQ-CYBMUJFWSA-N 1 0 391.281 2.954 20 0 GFADRO COc1c[nH+]ccc1N1CCN(C(=O)/C=C/c2ccc(Br)o2)CC1 ZINC000794339013 658519148 /nfs/dbraw/zinc/51/91/48/658519148.db2.gz KLTDFDZBTIIMKA-HWKANZROSA-N 1 0 392.253 2.808 20 0 GFADRO C[C@H]1CN(C(=S)NCCCCC(F)(F)F)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000794981752 658644686 /nfs/dbraw/zinc/64/46/86/658644686.db2.gz FVTCBPUYEDVYFU-GJZGRUSLSA-N 1 0 380.524 2.551 20 0 GFADRO C[NH+]1CCC(NC(=S)N2CCOc3c(Br)cccc3C2)CC1 ZINC000794993833 658646761 /nfs/dbraw/zinc/64/67/61/658646761.db2.gz AZTGJSFNHQSBJK-UHFFFAOYSA-N 1 0 384.343 2.612 20 0 GFADRO CCCN(CC[NH+]1CCCC1)S(=O)(=O)c1ccc2nc(Cl)cnc2c1 ZINC000796091654 658889483 /nfs/dbraw/zinc/88/94/83/658889483.db2.gz CBJSGFCTFWPQPQ-UHFFFAOYSA-N 1 0 382.917 2.780 20 0 GFADRO O=S(=O)(NCC[NH2+][C@@H]1CCCc2n[nH]cc21)c1cccc(Cl)c1Cl ZINC000797036145 658966533 /nfs/dbraw/zinc/96/65/33/658966533.db2.gz KPNIMVNSPPGEPQ-GFCCVEGCSA-N 1 0 389.308 2.662 20 0 GFADRO Cc1nn(CCS(C)(=O)=O)c(C)c1CSCC[NH+](C(C)C)C(C)C ZINC000797807796 659052783 /nfs/dbraw/zinc/05/27/83/659052783.db2.gz LUOZIXUCMGUMOI-UHFFFAOYSA-N 1 0 375.604 2.897 20 0 GFADRO C[N@@H+]1CCN(CCNC(=S)Nc2ccc(Br)cc2)CC1(C)C ZINC000799509975 659195779 /nfs/dbraw/zinc/19/57/79/659195779.db2.gz WGHPZLZESVTPSA-UHFFFAOYSA-N 1 0 385.375 2.762 20 0 GFADRO CS(=O)(=O)CCOCC[NH2+][C@@H]1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000799719981 659217522 /nfs/dbraw/zinc/21/75/22/659217522.db2.gz GBYUCTIBXICVJS-GDBMZVCRSA-N 1 0 379.444 2.992 20 0 GFADRO CN(C)S(=O)(=O)c1cc(C(=O)OCCC[NH+]2CCCCC2)ccc1Cl ZINC000800109254 659271853 /nfs/dbraw/zinc/27/18/53/659271853.db2.gz SBYIEOKWUSTUQL-UHFFFAOYSA-N 1 0 388.917 2.623 20 0 GFADRO CC[NH+](CC)CCCOC(=O)c1ccc(Br)c(S(C)(=O)=O)c1 ZINC000800155608 659278902 /nfs/dbraw/zinc/27/89/02/659278902.db2.gz QHDKLCXBAVIKBT-UHFFFAOYSA-N 1 0 392.315 2.741 20 0 GFADRO CCN(CCC[NH+]1CCCC1)S(=O)(=O)c1cc2c(cc1Cl)CCC2=O ZINC000800935734 659353764 /nfs/dbraw/zinc/35/37/64/659353764.db2.gz RAZWMRDVMKUTMT-UHFFFAOYSA-N 1 0 384.929 2.965 20 0 GFADRO Cc1nn(C)c(Br)c1C(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000801086152 659366632 /nfs/dbraw/zinc/36/66/32/659366632.db2.gz RRYCBRACEUILOX-BETUJISGSA-N 1 0 385.350 2.979 20 0 GFADRO Cc1nn(C)c(Br)c1C(=O)NC[C@H](c1ccc(C)cc1)[NH+](C)C ZINC000801089118 659367041 /nfs/dbraw/zinc/36/70/41/659367041.db2.gz DUOOEUUIDNBPKO-CQSZACIVSA-N 1 0 379.302 2.832 20 0 GFADRO Cc1nn(C)c(Br)c1C(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000801090138 659367062 /nfs/dbraw/zinc/36/70/62/659367062.db2.gz UCZKTTUYODLFDJ-TXEJJXNPSA-N 1 0 385.350 2.977 20 0 GFADRO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2ccc([Si](C)(C)C)cc2)cc1 ZINC000801937552 659435555 /nfs/dbraw/zinc/43/55/55/659435555.db2.gz PPFHIELKTJAZNJ-OAHLLOKOSA-N 1 0 376.598 2.991 20 0 GFADRO CC(C)[N@@H+]1CCO[C@H](COC(=O)[C@@H](C)Oc2cccc(Br)c2)C1 ZINC000802138454 659448860 /nfs/dbraw/zinc/44/88/60/659448860.db2.gz HUSPJIXAMSDJSC-CJNGLKHVSA-N 1 0 386.286 2.869 20 0 GFADRO COc1ccc([C@H](C[NH+](C)C)NC(=O)c2scnc2Br)cc1 ZINC000803807042 659606378 /nfs/dbraw/zinc/60/63/78/659606378.db2.gz BEHMDVMFILKGEI-LBPRGKRZSA-N 1 0 384.299 2.947 20 0 GFADRO CCC[N@@H+]1CCC[C@H]1CNC(=O)COc1ccc(C=O)cc1Br ZINC000804777986 659682927 /nfs/dbraw/zinc/68/29/27/659682927.db2.gz KABBDHJJBKEGQA-AWEZNQCLSA-N 1 0 383.286 2.631 20 0 GFADRO C[C@@H](CNS(=O)(=O)c1c(F)cccc1OC(F)(F)F)[NH+]1CCCCC1 ZINC000804961321 659703836 /nfs/dbraw/zinc/70/38/36/659703836.db2.gz QIFQGWKNQPIRLN-NSHDSACASA-N 1 0 384.395 2.877 20 0 GFADRO C[C@H](NS(=O)(=O)c1cnc(Cl)c(F)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000805058432 659730058 /nfs/dbraw/zinc/73/00/58/659730058.db2.gz SMZKOSCCISXRAE-RYUDHWBXSA-N 1 0 375.897 2.805 20 0 GFADRO C[C@H]([NH2+]C[C@@H](O)Cc1cccc(Cl)c1)c1ccc(NS(C)(=O)=O)cc1 ZINC000805746572 659806691 /nfs/dbraw/zinc/80/66/91/659806691.db2.gz BAKXEWCZIQKKRS-UGSOOPFHSA-N 1 0 382.913 2.966 20 0 GFADRO C[C@@H]([NH2+]C[C@H](O)Cc1cccc(Cl)c1)c1cccc(NS(C)(=O)=O)c1 ZINC000805748755 659807005 /nfs/dbraw/zinc/80/70/05/659807005.db2.gz GCFHIFYIJFEONI-FZKQIMNGSA-N 1 0 382.913 2.966 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)c1ccc(C(N)=O)c(Cl)n1)c1ccc(Cl)cc1 ZINC000806985887 659845824 /nfs/dbraw/zinc/84/58/24/659845824.db2.gz FBBQNIVAPXCRPJ-CQSZACIVSA-N 1 0 381.263 2.520 20 0 GFADRO Cc1n[nH]c(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)c1Br ZINC000807739149 659863428 /nfs/dbraw/zinc/86/34/28/659863428.db2.gz JWJVCYKYXFKEQI-JSGCOSHPSA-N 1 0 377.286 2.873 20 0 GFADRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1CN1C(=O)c2ccc(Br)cc2C1=O ZINC000808192679 659881241 /nfs/dbraw/zinc/88/12/41/659881241.db2.gz SFOZIISGCOHKNT-MLGOLLRUSA-N 1 0 392.297 2.561 20 0 GFADRO Cc1ccc(/C=C\C(=O)NCCC[N@@H+](C)CCN(C)C)c(Br)c1 ZINC000809190299 659919068 /nfs/dbraw/zinc/91/90/68/659919068.db2.gz XUPLPSAEDHZSEO-HJWRWDBZSA-N 1 0 382.346 2.770 20 0 GFADRO CC(C)(C)OC(=O)N(CC[NH2+][C@@H]1CCC[C@@H](S(C)(=O)=O)C1)C(C)(C)C ZINC000809622348 659934027 /nfs/dbraw/zinc/93/40/27/659934027.db2.gz ZCBOYFLJMPGGTD-HUUCEWRRSA-N 1 0 376.563 2.967 20 0 GFADRO COc1ccc2nc(Cl)ccc2c1S(=O)(=O)N[C@H](C)C[N@H+](C)C(C)C ZINC000810091347 659961035 /nfs/dbraw/zinc/96/10/35/659961035.db2.gz QQHLLONOFUDCBP-GFCCVEGCSA-N 1 0 385.917 2.904 20 0 GFADRO CN1CC[NH+](CCCCNC(=O)c2cc(C(F)(F)F)cc(Cl)n2)CC1 ZINC000810111829 659962711 /nfs/dbraw/zinc/96/27/11/659962711.db2.gz BMXZZPCKXXXTSB-UHFFFAOYSA-N 1 0 378.826 2.511 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCN(c2ccccc2C(N)=O)C1)c1ccc(Br)nc1 ZINC000810218741 659967177 /nfs/dbraw/zinc/96/71/77/659967177.db2.gz WTTNFZMBRPXIBJ-GXTWGEPZSA-N 1 0 389.297 2.873 20 0 GFADRO CSC1(CNC(=O)c2sc(N3CCCC3)nc2Cl)CC[NH+](C)CC1 ZINC000812255718 660021726 /nfs/dbraw/zinc/02/17/26/660021726.db2.gz KUJRVTRDVJMUEJ-UHFFFAOYSA-N 1 0 388.990 2.954 20 0 GFADRO CC1(C)[C@@H](O)CC[N@@H+]1C[C@H](O)COc1ccc(Cl)cc1Br ZINC000812865814 660035927 /nfs/dbraw/zinc/03/59/27/660035927.db2.gz STIQTBSLFQQVLD-FZMZJTMJSA-N 1 0 378.694 2.687 20 0 GFADRO C[C@H]([NH2+]CC[C@H]1CCOC1=O)c1ccc(Br)cc1OCCCO ZINC000812885316 660036104 /nfs/dbraw/zinc/03/61/04/660036104.db2.gz OUGIIEVTIIWRJI-STQMWFEESA-N 1 0 386.286 2.814 20 0 GFADRO C[C@@H]1CN(CCNC(=O)N2CC[C@@H](Sc3cccc(Cl)c3)C2)CCO1 ZINC000813617162 660058268 /nfs/dbraw/zinc/05/82/68/660058268.db2.gz ONLWIZQVCLPPCT-RHSMWYFYSA-N 1 0 383.945 2.937 20 0 GFADRO COc1cc(C(=O)N2CC[N@@H+](C3CCC3)C[C@H](C)C2)cnc1Br ZINC000814161001 660073632 /nfs/dbraw/zinc/07/36/32/660073632.db2.gz JMBRVXWTXWQIGJ-LBPRGKRZSA-N 1 0 382.302 2.799 20 0 GFADRO Cn1cc(CC(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)c(Cl)n1 ZINC000814417007 660081400 /nfs/dbraw/zinc/08/14/00/660081400.db2.gz WYQLGTVBSNLYRM-UHFFFAOYSA-N 1 0 378.826 2.538 20 0 GFADRO Cc1cc2cc(S(=O)(=O)N3CC[C@]4(CC[N@@H+](C)C4)C3)ccc2nc1Cl ZINC000815048184 660107060 /nfs/dbraw/zinc/10/70/60/660107060.db2.gz LTHRGBZSKXQXFP-SFHVURJKSA-N 1 0 379.913 2.913 20 0 GFADRO CS(=O)(=O)CC1CCC([NH2+]C[C@H](O)c2cccc(Br)c2)CC1 ZINC000815597506 660126326 /nfs/dbraw/zinc/12/63/26/660126326.db2.gz XLNUETIUPRZJLP-MOQPWLNLSA-N 1 0 390.343 2.676 20 0 GFADRO CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+]C[C@@H](O)c2ccc(OC(F)(F)F)cc2)C1 ZINC000816544592 660160868 /nfs/dbraw/zinc/16/08/68/660160868.db2.gz NAVZJRRVZJPJPD-NWANDNLSSA-N 1 0 381.416 2.564 20 0 GFADRO CSc1nc2ccc(NC(=O)N3C[C@H](C)N(CCO)C[C@@H]3C)cc2s1 ZINC000841596778 661306485 /nfs/dbraw/zinc/30/64/85/661306485.db2.gz LWIDQDHOHSDYMB-RYUDHWBXSA-N 1 0 380.539 2.937 20 0 GFADRO O=C(NCCN1C[C@H]2CC[C@@H](C1)O2)Nc1cnc(Cl)c(C(F)(F)F)c1 ZINC000841797930 661314310 /nfs/dbraw/zinc/31/43/10/661314310.db2.gz CVEVEMWEEIJAJL-PHIMTYICSA-N 1 0 378.782 2.739 20 0 GFADRO COC1CC[NH+](CCNC(=O)Nc2cnc(Cl)c(C(F)(F)F)c2)CC1 ZINC000841801023 661314984 /nfs/dbraw/zinc/31/49/84/661314984.db2.gz BNYSWLVZLPZARS-UHFFFAOYSA-N 1 0 380.798 2.986 20 0 GFADRO CN(C[C@@H](O)c1ccccc1Br)C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000841950420 661318237 /nfs/dbraw/zinc/31/82/37/661318237.db2.gz SYXAOHWJHYBFEG-IAGOWNOFSA-N 1 0 392.297 2.824 20 0 GFADRO CC(C)[C@H]([NH3+])CNC(=O)N1CCC[C@@H]([C@@H](O)c2ccc(Br)cc2)C1 ZINC000841944574 661318249 /nfs/dbraw/zinc/31/82/49/661318249.db2.gz LRKNJWZWEVZENK-OIISXLGYSA-N 1 0 398.345 2.887 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)N2CCO[C@H](c3ccccc3Br)C2)CC[NH2+]1 ZINC000841988438 661318987 /nfs/dbraw/zinc/31/89/87/661318987.db2.gz TZKKGGGCJZPBDY-IOASZLSFSA-N 1 0 382.302 2.673 20 0 GFADRO Cn1cc(N2CC[C@@H]([NH2+]Cc3cc(Cl)cc(Br)c3)C2=O)cn1 ZINC000842165375 661326129 /nfs/dbraw/zinc/32/61/29/661326129.db2.gz FVJPBHNECBPUSM-CQSZACIVSA-N 1 0 383.677 2.731 20 0 GFADRO Brc1cccc(Cc2noc(CN3CC[C@@]4(CCC[NH2+]4)C3)n2)c1 ZINC000842477852 661341145 /nfs/dbraw/zinc/34/11/45/661341145.db2.gz HNCITDKOEKGLLL-KRWDZBQOSA-N 1 0 377.286 2.751 20 0 GFADRO [NH3+][C@@H]1CN(S(=O)(=O)c2ccc(Cl)nc2Cl)C[C@H]1c1cccc(F)c1 ZINC000842485147 661341695 /nfs/dbraw/zinc/34/16/95/661341695.db2.gz OFTFZFXQYPJDCQ-NWDGAFQWSA-N 1 0 390.267 2.643 20 0 GFADRO C[NH2+]C[C@@H](C)c1noc(CCC(=O)c2cc(Br)ccc2OC)n1 ZINC000842577960 661344145 /nfs/dbraw/zinc/34/41/45/661344145.db2.gz RZJXCHNKVJJXON-SNVBAGLBSA-N 1 0 382.258 2.979 20 0 GFADRO [NH3+]C1(c2noc(-c3cccn4c(I)cnc34)n2)CCCC1 ZINC000842589539 661344746 /nfs/dbraw/zinc/34/47/46/661344746.db2.gz DYBBQAMJBHRIFR-UHFFFAOYSA-N 1 0 395.204 2.717 20 0 GFADRO CN(C1CCC([NH3+])CC1)S(=O)(=O)c1cccc(Cl)c1Br ZINC000842737852 661351827 /nfs/dbraw/zinc/35/18/27/661351827.db2.gz QOEWIKHFOIXJEB-UHFFFAOYSA-N 1 0 381.723 2.993 20 0 GFADRO O=S(=O)(/C=C/c1cccc(Br)c1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000842850362 661357131 /nfs/dbraw/zinc/35/71/31/661357131.db2.gz RANQJHYSPAVDOT-YKXBDCQTSA-N 1 0 385.327 2.825 20 0 GFADRO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)Nc1ccc2cc(Br)ccc2c1 ZINC000843049088 661365238 /nfs/dbraw/zinc/36/52/38/661365238.db2.gz GYMOMXNJSLLKSI-WDEREUQCSA-N 1 0 378.270 2.783 20 0 GFADRO C[C@H]([NH2+]C[C@@H](O)COc1cccc(Br)c1)[C@@H](O)c1ccccc1 ZINC000843062249 661365464 /nfs/dbraw/zinc/36/54/64/661365464.db2.gz NQDVDZZOGSMVLH-FDQGKXFDSA-N 1 0 380.282 2.901 20 0 GFADRO O[C@H](C[NH2+]C[C@@H](O)c1ccccc1F)COc1cccc(Br)c1 ZINC000843064260 661365774 /nfs/dbraw/zinc/36/57/74/661365774.db2.gz GGCTZLFWWKNPOL-CXAGYDPISA-N 1 0 384.245 2.651 20 0 GFADRO O[C@@H](C[NH2+]C[C@@H](O)c1ccc(F)cc1Cl)COc1ccc(F)c(F)c1 ZINC000843070459 661366197 /nfs/dbraw/zinc/36/61/97/661366197.db2.gz BEZZYSCMGTTXKJ-APPDUMDISA-N 1 0 375.774 2.820 20 0 GFADRO Cc1cccc(OC[C@@H](O)C[NH2+]C[C@@H](O)c2ccccc2Br)c1 ZINC000843070567 661366421 /nfs/dbraw/zinc/36/64/21/661366421.db2.gz VOSVFPVOBMAGMM-KBXCAEBGSA-N 1 0 380.282 2.820 20 0 GFADRO C[C@@](O)(C[NH2+][C@H](CO)Cc1ccccc1)c1ccc(Br)cc1F ZINC000843073301 661366438 /nfs/dbraw/zinc/36/64/38/661366438.db2.gz RWWLUONOXFHPKD-MAUKXSAKSA-N 1 0 382.273 2.989 20 0 GFADRO O=S(=O)(CC[NH2+]C[C@H](O)c1c(F)cccc1Cl)c1ccc(F)cc1 ZINC000843086359 661367182 /nfs/dbraw/zinc/36/71/82/661367182.db2.gz IJIHFVGHMIBEGF-HNNXBMFYSA-N 1 0 375.824 2.715 20 0 GFADRO O=S(=O)(CC[NH2+]CC[C@@H](O)c1ccccc1)c1cccc(Br)c1 ZINC000843090452 661367566 /nfs/dbraw/zinc/36/75/66/661367566.db2.gz YXUWBOFTLUMFOZ-QGZVFWFLSA-N 1 0 398.322 2.936 20 0 GFADRO OC[C@H](C[C@@H](O)c1ccccc1)[NH2+]C[C@H](O)c1cccc(Br)c1 ZINC000843104011 661368155 /nfs/dbraw/zinc/36/81/55/661368155.db2.gz CZOGHRNKBMBOLF-KSZLIROESA-N 1 0 380.282 2.557 20 0 GFADRO O[C@@H](C[NH2+]C[C@H](O)COCc1ccccc1)c1cccc(Br)c1 ZINC000843113185 661368947 /nfs/dbraw/zinc/36/89/47/661368947.db2.gz OISPKAJCEVUZAH-ROUUACIJSA-N 1 0 380.282 2.650 20 0 GFADRO OC[C@H](C[NH2+]C[C@@H](O)c1ccccc1Br)Cc1ccncc1Cl ZINC000843113070 661369001 /nfs/dbraw/zinc/36/90/01/661369001.db2.gz KWGKIYFIVQMVJK-YVEFUNNKSA-N 1 0 399.716 2.972 20 0 GFADRO COc1ccc(OC)c([C@H](O)C[NH2+]C[C@@H](O)c2cccc(Br)c2)c1 ZINC000843113514 661369199 /nfs/dbraw/zinc/36/91/99/661369199.db2.gz WCJKZWASMFSCRS-IAGOWNOFSA-N 1 0 396.281 2.823 20 0 GFADRO Cc1c(Br)cccc1C[C@@H](CO)C[NH2+]C[C@@H](O)c1ccc(F)cn1 ZINC000843117918 661369764 /nfs/dbraw/zinc/36/97/64/661369764.db2.gz WRYWIGWKQILIFO-FZKQIMNGSA-N 1 0 397.288 2.766 20 0 GFADRO COc1cc(Br)c(Cc2noc([C@@]3(C)CC[NH2+]C3)n2)cc1OC ZINC000843195719 661371483 /nfs/dbraw/zinc/37/14/83/661371483.db2.gz AKNIXUCJOYQRAN-INIZCTEOSA-N 1 0 382.258 2.691 20 0 GFADRO O=S(=O)(Cc1noc([C@]2(F)CC[NH2+]C2)n1)c1cc(Cl)ccc1Cl ZINC000843200463 661371790 /nfs/dbraw/zinc/37/17/90/661371790.db2.gz OUGOREUWDHFLFV-ZDUSSCGKSA-N 1 0 380.228 2.508 20 0 GFADRO CC(C)[NH2+]CCc1nc(-c2cccn3c(I)cnc23)no1 ZINC000843223367 661373555 /nfs/dbraw/zinc/37/35/55/661373555.db2.gz BMXYMEAQEOPKAD-UHFFFAOYSA-N 1 0 397.220 2.529 20 0 GFADRO [NH3+]C1C[C@H]2CCC[C@@H](C1)N2CC(=O)Nc1cccc(I)c1 ZINC000843361548 661378540 /nfs/dbraw/zinc/37/85/40/661378540.db2.gz GQVBOCDOJGNVJT-LQDVMPOASA-N 1 0 399.276 2.574 20 0 GFADRO CC(C)[C@H]([NH3+])CCN(C)C(=O)/C=C\c1ccc(I)o1 ZINC000843356540 661378612 /nfs/dbraw/zinc/37/86/12/661378612.db2.gz WXCKDXUSXJTOHP-SMYYYNMVSA-N 1 0 376.238 2.729 20 0 GFADRO O=C(CO[C@H]1CCC[NH2+]C1)N1CCC(Oc2cccc(Br)c2)CC1 ZINC000843490798 661383336 /nfs/dbraw/zinc/38/33/36/661383336.db2.gz BZROXWSETMLWIY-KRWDZBQOSA-N 1 0 397.313 2.588 20 0 GFADRO CC(C)(C)NS(=O)(=O)c1cc(C(=O)NCCCCCC[NH3+])ccc1Cl ZINC000843505607 661383743 /nfs/dbraw/zinc/38/37/43/661383743.db2.gz DQYDYRMIEXVLBI-UHFFFAOYSA-N 1 0 389.949 2.666 20 0 GFADRO Cc1nc(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)sc1C1N=NC(=S)N1C1CC1 ZINC000843770255 661392136 /nfs/dbraw/zinc/39/21/36/661392136.db2.gz WOASWKKHYHXTEM-MWLCHTKSSA-N 1 0 378.527 2.612 20 0 GFADRO CCCN(C(=O)C[C@@](O)(c1nc(C)cs1)C(F)(F)F)[C@H]1CC[N@H+](C)C1 ZINC000843992935 661399354 /nfs/dbraw/zinc/39/93/54/661399354.db2.gz UWEWAXSZNUQNKL-SWLSCSKDSA-N 1 0 379.448 2.534 20 0 GFADRO CC(C)[C@H]([NH2+]Cc1cc(Cl)cc(S(N)(=O)=O)c1)[C@@H](O)c1ccccc1 ZINC000844326646 661415292 /nfs/dbraw/zinc/41/52/92/661415292.db2.gz JBGPJPFGYIDUAL-ROUUACIJSA-N 1 0 382.913 2.835 20 0 GFADRO CC(=O)N1CSC[C@H]1C(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000844889399 661446262 /nfs/dbraw/zinc/44/62/62/661446262.db2.gz PSYLGJSKHPKAAD-KRWDZBQOSA-N 1 0 379.551 2.734 20 0 GFADRO CC(C)[N@@H+]1CCO[C@H](COC(=O)[C@H]2CCOc3ccc(Br)cc32)C1 ZINC000845514059 661476073 /nfs/dbraw/zinc/47/60/73/661476073.db2.gz RWKMXSWNJLHWEB-GJZGRUSLSA-N 1 0 398.297 2.968 20 0 GFADRO COc1cc[nH+]c(N2CCN(C(=O)NCCC[C@@H]3CC3(Cl)Cl)CC2)c1 ZINC000845669905 661487276 /nfs/dbraw/zinc/48/72/76/661487276.db2.gz XBCMHJWJLCZPSF-CYBMUJFWSA-N 1 0 387.311 2.896 20 0 GFADRO CC(C)(C)OC(=O)NCCC1CC([NH2+]Cc2ccc(S(C)(=O)=O)s2)C1 ZINC000845959578 661509602 /nfs/dbraw/zinc/50/96/02/661509602.db2.gz BSYKXIRFKYCPTO-UHFFFAOYSA-N 1 0 388.555 2.935 20 0 GFADRO Cn1nc(C(=O)NC[C@@H](C[NH+](C)C)c2ccc(Cl)cc2)cc1Br ZINC000846130933 661534064 /nfs/dbraw/zinc/53/40/64/661534064.db2.gz HCIRTOKIUXNYGH-LBPRGKRZSA-N 1 0 399.720 2.911 20 0 GFADRO CS/C=C/C(=O)NCCN(CC[NH+]1CCCCCC1)C(=O)/C=C\SC ZINC000846143720 661534333 /nfs/dbraw/zinc/53/43/33/661534333.db2.gz GGBVBZTXZIJVML-AUYDJSIHSA-N 1 0 385.599 2.561 20 0 GFADRO CS/C=C/C(=O)N(CCNC(=O)/C=C\SC)CC[NH+]1CCCCCC1 ZINC000846143722 661534344 /nfs/dbraw/zinc/53/43/44/661534344.db2.gz GGBVBZTXZIJVML-BSHIDLADSA-N 1 0 385.599 2.561 20 0 GFADRO [NH3+][C@@H]1CCCO[C@H]1C1CCN(C(=O)NCCC[C@H]2CC2(Cl)Cl)CC1 ZINC000846208741 661538485 /nfs/dbraw/zinc/53/84/85/661538485.db2.gz KIQGSOGRKVYHCR-ZNMIVQPWSA-N 1 0 378.344 2.888 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(C(=O)Nc3ccc(Br)nc3)C2)C1 ZINC000846305579 661543834 /nfs/dbraw/zinc/54/38/34/661543834.db2.gz BWRXGIUYEFFYFZ-BZPMIXESSA-N 1 0 383.290 2.594 20 0 GFADRO Cc1nc(Br)ccc1NC(=O)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000846307107 661544231 /nfs/dbraw/zinc/54/42/31/661544231.db2.gz NGPQSBTYEQHUQH-KCQAQPDRSA-N 1 0 397.317 2.903 20 0 GFADRO C[NH+]1CCC(ONC(=O)c2cc(Br)ccc2OC(F)F)CC1 ZINC000846650748 661560681 /nfs/dbraw/zinc/56/06/81/661560681.db2.gz DAZXLQMMUPMFPO-UHFFFAOYSA-N 1 0 379.201 2.806 20 0 GFADRO Cc1nc(Cl)c(Cl)cc1C(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000847630343 661602804 /nfs/dbraw/zinc/60/28/04/661602804.db2.gz GUHYOZRKHZTRBC-LRDDRELGSA-N 1 0 385.339 2.795 20 0 GFADRO CS[C@H]1CN(C(=O)c2cnc(F)c(Br)c2)C[C@H]1[NH+]1CCCC1 ZINC000847724986 661607805 /nfs/dbraw/zinc/60/78/05/661607805.db2.gz IDAYQDWORUJCOK-OLZOCXBDSA-N 1 0 388.306 2.635 20 0 GFADRO Cc1c(C(=O)OCC[C@H]2CC[N@@H+](C)C2)nnn1-c1cccc(Br)c1 ZINC000847824665 661612191 /nfs/dbraw/zinc/61/21/91/661612191.db2.gz OFXLHWJLPIPGBW-CYBMUJFWSA-N 1 0 393.285 2.837 20 0 GFADRO COCC[NH+]1CCC(OC(=O)c2c(C)nc3ccc(Br)cn32)CC1 ZINC000847884824 661615063 /nfs/dbraw/zinc/61/50/63/661615063.db2.gz FHWZLRXMXPODRS-UHFFFAOYSA-N 1 0 396.285 2.673 20 0 GFADRO O=C1O[C@@H](C[NH2+]Cc2cnn(-c3ccc(Br)cc3)c2)CN1C1CC1 ZINC000848579061 661666709 /nfs/dbraw/zinc/66/67/09/661666709.db2.gz VTJRYECPIXPFIM-INIZCTEOSA-N 1 0 391.269 2.708 20 0 GFADRO O=S(=O)(Cc1noc([C@@H]2C[C@]23CCC[NH2+]C3)n1)Cc1ccc(Cl)cc1 ZINC000848629735 661668676 /nfs/dbraw/zinc/66/86/76/661668676.db2.gz FOBCOWMXSHSICY-YOEHRIQHSA-N 1 0 381.885 2.695 20 0 GFADRO Cc1ccc(-n2c(Cl)c(CN[C@H](C[NH3+])C(F)(F)F)nc2N(C)C)cc1 ZINC000848714045 661677936 /nfs/dbraw/zinc/67/79/36/661677936.db2.gz DJMCBVQGCBFEND-CYBMUJFWSA-N 1 0 375.826 2.879 20 0 GFADRO [NH2+]=C(NCCc1ccccc1)NC[C@@H](CO)Cc1ccc(Br)cc1 ZINC000849104807 661691982 /nfs/dbraw/zinc/69/19/82/661691982.db2.gz XRDIOFCJJRMTID-KRWDZBQOSA-N 1 0 390.325 2.957 20 0 GFADRO CC(C)CCC[C@@H](C)NC(=[NH2+])NCc1nn(C)cc1I ZINC000849116194 661693202 /nfs/dbraw/zinc/69/32/02/661693202.db2.gz HPXHKHBYMIHTFG-LLVKDONJSA-N 1 0 391.301 2.853 20 0 GFADRO C[NH+]1CCC(CNC(=S)NC[C@@H]2CCN(c3ccccc3Cl)C2)CC1 ZINC000849269443 661701360 /nfs/dbraw/zinc/70/13/60/661701360.db2.gz MTFOYCCDPNDNQT-INIZCTEOSA-N 1 0 380.989 2.972 20 0 GFADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)Nc2cccc(Br)c2)cn1 ZINC000849483605 661733400 /nfs/dbraw/zinc/73/34/00/661733400.db2.gz ZERRCNOGKGNOEZ-HOTGVXAUSA-N 1 0 377.286 2.857 20 0 GFADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)N2CCc3sc(Cl)cc3C2)cn1 ZINC000849606576 661735070 /nfs/dbraw/zinc/73/50/70/661735070.db2.gz PUGMFUPRIBFJMP-GJZGRUSLSA-N 1 0 378.929 2.755 20 0 GFADRO COCc1csc(C[NH2+]CC2CCN(S(=O)(=O)C(F)(F)F)CC2)c1 ZINC000850133118 661765944 /nfs/dbraw/zinc/76/59/44/661765944.db2.gz CNQRZLHEBLJKCP-UHFFFAOYSA-N 1 0 386.461 2.546 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+][C@@H]1COC2(CCC2)C1 ZINC000850371036 661773048 /nfs/dbraw/zinc/77/30/48/661773048.db2.gz YDSQUIPAXDEGCD-WFASDCNBSA-N 1 0 397.313 2.764 20 0 GFADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+][C@H]1COC2(CCC2)C1 ZINC000850371034 661773201 /nfs/dbraw/zinc/77/32/01/661773201.db2.gz YDSQUIPAXDEGCD-IUODEOHRSA-N 1 0 397.313 2.764 20 0 GFADRO C[C@@H]([NH2+]CCNC(=O)c1ccc(Br)cn1)c1ccc2c(c1)CCO2 ZINC000850491838 661778946 /nfs/dbraw/zinc/77/89/46/661778946.db2.gz AGGJHFDCLQIEKS-GFCCVEGCSA-N 1 0 390.281 2.860 20 0 GFADRO C[C@@H]([NH2+]CC[S@](=O)CC(F)(F)F)c1cc(Br)ncc1F ZINC000850495834 661779564 /nfs/dbraw/zinc/77/95/64/661779564.db2.gz JQGHTWXEFBVRID-GLEHDBDLSA-N 1 0 377.201 2.945 20 0 GFADRO COc1cc([C@@H](C)[NH2+]C[C@@]2(OCCO)CCOC2)ccc1SC(F)F ZINC000850509522 661779801 /nfs/dbraw/zinc/77/98/01/661779801.db2.gz REZUDVKMNNCUDY-PXAZEXFGSA-N 1 0 377.453 2.829 20 0 GFADRO O=S1(=O)CC[C@@H]([NH2+][C@H]2COC3(CCC3)C2)c2cc(Br)ccc21 ZINC000850524072 661781170 /nfs/dbraw/zinc/78/11/70/661781170.db2.gz UBVUOKYGSRKOKP-TZMCWYRMSA-N 1 0 386.311 2.969 20 0 GFADRO O=S(=O)(c1cnc(Cl)c(Cl)c1)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000850588896 661782384 /nfs/dbraw/zinc/78/23/84/661782384.db2.gz HQLAIMJSMJYICH-GFCCVEGCSA-N 1 0 378.325 2.789 20 0 GFADRO [NH3+][C@@H]1CCc2ncc(NC(=O)c3ccc(C(F)(F)Br)nc3)cc2C1 ZINC000851635057 661827288 /nfs/dbraw/zinc/82/72/88/661827288.db2.gz LZJHLMUDLRSHML-LLVKDONJSA-N 1 0 397.223 2.989 20 0 GFADRO [NH3+]CC[C@@H](NC(=O)c1ccc(C(F)(F)Br)nc1)C(F)(F)F ZINC000851639861 661827420 /nfs/dbraw/zinc/82/74/20/661827420.db2.gz VMNGWLRPBCYMOA-MRVPVSSYSA-N 1 0 376.123 2.535 20 0 GFADRO CC[NH+](CC)CCCNC(=O)C1CCN(CC(F)(F)Br)CC1 ZINC000851728218 661829341 /nfs/dbraw/zinc/82/93/41/661829341.db2.gz JAPVPNPSJJQWHW-UHFFFAOYSA-N 1 0 384.309 2.534 20 0 GFADRO O=S(=O)(NC[C@@H]1CCC[N@H+](CC2CC2)C1)c1ccc(Cl)nc1Cl ZINC000851894366 661843843 /nfs/dbraw/zinc/84/38/43/661843843.db2.gz BHXPEHFHPULLRX-LBPRGKRZSA-N 1 0 378.325 2.789 20 0 GFADRO COc1ccc2nc(Cl)ccc2c1S(=O)(=O)N1CC[NH2+][C@H](C(C)C)C1 ZINC000851897492 661844872 /nfs/dbraw/zinc/84/48/72/661844872.db2.gz PBHBYHLTFJCJJS-AWEZNQCLSA-N 1 0 383.901 2.515 20 0 GFADRO C[C@H]([NH2+]CCn1cnc(Br)n1)c1ccc(Br)cn1 ZINC000852005675 661848679 /nfs/dbraw/zinc/84/86/79/661848679.db2.gz YHPCYMLSGVAUQO-QMMMGPOBSA-N 1 0 375.068 2.549 20 0 GFADRO COC(=O)C[C@](C)([NH2+]C[C@@H]1COC(C)(C)O1)c1ccc(Br)cc1 ZINC000852043572 661850618 /nfs/dbraw/zinc/85/06/18/661850618.db2.gz DMUUMNJSLDXUCG-PBHICJAKSA-N 1 0 386.286 2.969 20 0 GFADRO Cc1ccc2c(c1Br)CN(C(=O)NC[C@@H]1C[N@@H+]3CCC[C@@H]3CO1)C2 ZINC000852064808 661851276 /nfs/dbraw/zinc/85/12/76/661851276.db2.gz FJPWFCYLXPBQMZ-HUUCEWRRSA-N 1 0 394.313 2.646 20 0 GFADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)N1CC[C@H]1c1ccc(Br)cc1 ZINC000852066523 661851323 /nfs/dbraw/zinc/85/13/23/661851323.db2.gz QHMAGCGKVQCHGK-ZACQAIPSSA-N 1 0 394.313 2.769 20 0 GFADRO OC[C@@H]([NH2+]C[C@@H](O)COc1ccc(Cl)cc1Br)C1CCC1 ZINC000852321427 661860385 /nfs/dbraw/zinc/86/03/85/661860385.db2.gz UZOZJQYMSYUCER-TZMCWYRMSA-N 1 0 378.694 2.593 20 0 GFADRO CCn1ncc(C[N@@H+]2CC[C@@]3(C)[C@@H](C2)C3(Br)Br)n1 ZINC000852337411 661861531 /nfs/dbraw/zinc/86/15/31/661861531.db2.gz ROBZDCBCEAYWGS-MNOVXSKESA-N 1 0 378.112 2.626 20 0 GFADRO CO[C@@H]1CCC[C@H]([C@@H](CO)[NH2+]C[C@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000852349361 661862067 /nfs/dbraw/zinc/86/20/67/661862067.db2.gz HCAULWIJZOQFTF-MKVSYHDVSA-N 1 0 392.323 2.889 20 0 GFADRO CNC(=O)Cc1nc(C[NH2+][C@H](C(C)C)[C@@H](O)c2ccc(Cl)cc2)cs1 ZINC000852731274 661872487 /nfs/dbraw/zinc/87/24/87/661872487.db2.gz ITAUDLLTDJNMOE-MSOLQXFVSA-N 1 0 381.929 2.933 20 0 GFADRO C[C@@H]([NH3+])C1CCN(C(=O)c2cnn(-c3ccccc3)c2Br)CC1 ZINC000852796989 661874550 /nfs/dbraw/zinc/87/45/50/661874550.db2.gz WFSKRMYOROEZKM-GFCCVEGCSA-N 1 0 377.286 2.834 20 0 GFADRO [NH3+]C[C@H]1CC(C(=O)Nc2ncc(Cc3cccc(Br)c3)s2)=NO1 ZINC000852824588 661875263 /nfs/dbraw/zinc/87/52/63/661875263.db2.gz ZAAMFGNEQGWMMA-LLVKDONJSA-N 1 0 395.282 2.539 20 0 GFADRO C[C@]([NH3+])(C(=O)N[C@H]1C[C@@H](O)c2ccccc21)c1ccc(Br)cc1 ZINC000852855582 661875856 /nfs/dbraw/zinc/87/58/56/661875856.db2.gz GBJLBGAIZSNQIU-LZLYRXPVSA-N 1 0 375.266 2.918 20 0 GFADRO C[C@]([NH3+])(C(=O)NCCC1SCCS1)c1ccc(Br)cc1 ZINC000852869216 661876029 /nfs/dbraw/zinc/87/60/29/661876029.db2.gz ZIZFRKUZXKNJNF-CQSZACIVSA-N 1 0 375.357 2.935 20 0 GFADRO C[C@]1(C(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)CC1(Br)Br ZINC000852880627 661876378 /nfs/dbraw/zinc/87/63/78/661876378.db2.gz NWTYWXIJEDYISO-WCQYABFASA-N 1 0 394.151 2.731 20 0 GFADRO C[NH+]1CCC(CNC(=S)NC[C@H](O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000853031826 661879148 /nfs/dbraw/zinc/87/91/48/661879148.db2.gz NXJIIEZZOQADGL-HNNXBMFYSA-N 1 0 376.353 2.833 20 0 GFADRO O[C@H](C[NH2+]CCc1ccc(I)cc1)c1ccc(F)cn1 ZINC000853117717 661882854 /nfs/dbraw/zinc/88/28/54/661882854.db2.gz BBVLCMRDIXLLGN-OAHLLOKOSA-N 1 0 386.208 2.691 20 0 GFADRO CC(C)(C)OC(=O)N1CCC[C@@](O)(C[NH2+]CCC2SCCS2)CC1 ZINC000853123150 661882970 /nfs/dbraw/zinc/88/29/70/661882970.db2.gz WGEVXIIVKCVYJC-KRWDZBQOSA-N 1 0 376.588 2.924 20 0 GFADRO Brc1ccc(Cc2noc(-c3c[nH]nc3[C@@H]3CC[NH2+]C3)n2)s1 ZINC000854144547 661916146 /nfs/dbraw/zinc/91/61/46/661916146.db2.gz ABXIUINBVCDJKH-MRVPVSSYSA-N 1 0 380.271 2.951 20 0 GFADRO CC(C)C[C@H](C[NH3+])Cc1nc(CNC(=O)c2ccc(Br)cc2)no1 ZINC000854156955 661917026 /nfs/dbraw/zinc/91/70/26/661917026.db2.gz ZPCVLJFRFAWLDD-LBPRGKRZSA-N 1 0 395.301 2.926 20 0 GFADRO CC(C)(CC[NH+]1CCCCCC1)NC(=O)NCC[S@](=O)CC(F)(F)F ZINC000854304064 661922824 /nfs/dbraw/zinc/92/28/24/661922824.db2.gz BTIBGKYXOYRYBM-VWLOTQADSA-N 1 0 385.496 2.641 20 0 GFADRO O=C(NCc1cnc(Br)cn1)[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000854351581 661927328 /nfs/dbraw/zinc/92/73/28/661927328.db2.gz BNBSMZOQLHHDEC-MRXNPFEDSA-N 1 0 389.297 2.735 20 0 GFADRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)[C@@]2(C)CC2(Br)Br)C1 ZINC000854893304 661959298 /nfs/dbraw/zinc/95/92/98/661959298.db2.gz IDCCFAYIKROIOW-ZYHUDNBSSA-N 1 0 382.140 2.824 20 0 GFADRO C[NH+](C)C1CCC(NC(=O)c2cccc(S(=O)(=O)C(F)(F)F)c2)CC1 ZINC000854963548 661963536 /nfs/dbraw/zinc/96/35/36/661963536.db2.gz PLADAYZPUSEIDI-UHFFFAOYSA-N 1 0 378.416 2.583 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)[C@]1(C)CC1(Br)Br ZINC000855162256 661974310 /nfs/dbraw/zinc/97/43/10/661974310.db2.gz IEASNJODYOUOQU-CABZTGNLSA-N 1 0 382.140 2.872 20 0 GFADRO O=C(NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1cc(Cl)nc(Cl)c1 ZINC000855401660 661990333 /nfs/dbraw/zinc/99/03/33/661990333.db2.gz PVSYIQCKESHASG-OAHLLOKOSA-N 1 0 380.275 2.885 20 0 GFADRO C/C(=C/c1c(Cl)cccc1Cl)C(=O)N(CC[NH+](C)C)CC(=O)N(C)C ZINC000855695920 662004200 /nfs/dbraw/zinc/00/42/00/662004200.db2.gz WUZAPGHZSFQXJD-QBFSEMIESA-N 1 0 386.323 2.875 20 0 GFADRO CS(=O)(=O)c1cc(C(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)ccc1Cl ZINC000855810741 662009088 /nfs/dbraw/zinc/00/90/88/662009088.db2.gz GDOCVEAIDNUVDS-CQSZACIVSA-N 1 0 384.929 2.880 20 0 GFADRO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)c1c(Br)nc2n1CCCC2 ZINC000855902698 662011872 /nfs/dbraw/zinc/01/18/72/662011872.db2.gz KRXBXFFBUIDJQN-CYBMUJFWSA-N 1 0 383.334 2.832 20 0 GFADRO O=C(NC[C@H]1CCC[N@H+](CC2CC2)C1)[C@H]1Cc2cc(Br)ccc2O1 ZINC000856480327 662035590 /nfs/dbraw/zinc/03/55/90/662035590.db2.gz RUCGALDFGKTYGA-RDTXWAMCSA-N 1 0 393.325 2.991 20 0 GFADRO C[C@H](CNc1cnc(Br)cn1)[NH+]1CCN(c2ccccc2)CC1 ZINC000856723461 662038666 /nfs/dbraw/zinc/03/86/66/662038666.db2.gz SNBJJFMPHVFTRQ-CQSZACIVSA-N 1 0 376.302 2.862 20 0 GFADRO CN1CCC(CNC(=O)NCC[C@H]2CC2(Cl)Cl)([NH+]2CCCCC2)CC1 ZINC000856868463 662048477 /nfs/dbraw/zinc/04/84/77/662048477.db2.gz ONBYWUNVYOTZLT-HNNXBMFYSA-N 1 0 391.387 2.820 20 0 GFADRO CC(C)[NH+]1CCC(C(=O)N2CC(O)(c3cccc(Br)c3)C2)CC1 ZINC000857417767 662078738 /nfs/dbraw/zinc/07/87/38/662078738.db2.gz DEJNUNILFVEFML-UHFFFAOYSA-N 1 0 381.314 2.599 20 0 GFADRO COc1ccc(Br)cc1C1(C(=O)N[C@@H]2CCn3cncc32)CC1 ZINC000857976777 662096777 /nfs/dbraw/zinc/09/67/77/662096777.db2.gz LMYXBTUFXPREAE-CYBMUJFWSA-N 1 0 376.254 2.947 20 0 GFADRO Cn1cc(CNc2ccccc2C[NH+]2CCC(CO)CC2)c(Br)n1 ZINC000858149534 662101358 /nfs/dbraw/zinc/10/13/58/662101358.db2.gz NRCMJCKBDFIDDE-UHFFFAOYSA-N 1 0 393.329 2.999 20 0 GFADRO Cn1cc(C[NH2+][C@@H]2CCCN(C(=O)CCC(F)(F)F)C2)c(Br)n1 ZINC000858164467 662102790 /nfs/dbraw/zinc/10/27/90/662102790.db2.gz YOCXGESWIVLNLV-LLVKDONJSA-N 1 0 397.239 2.606 20 0 GFADRO C[C@@H]([NH2+]C[C@@]1(CO)COCC2(CCC2)N1C)c1cc(Cl)c(N)c(Cl)c1 ZINC000858465421 662112584 /nfs/dbraw/zinc/11/25/84/662112584.db2.gz FYCDGZSXGPHDCA-KZULUSFZSA-N 1 0 388.339 2.842 20 0 GFADRO O=C(NC1CC[NH+](Cc2ccccn2)CC1)c1cc(Br)cnc1F ZINC000858569954 662115213 /nfs/dbraw/zinc/11/52/13/662115213.db2.gz CXUDYHXYJRINKJ-UHFFFAOYSA-N 1 0 393.260 2.773 20 0 GFADRO CC1([NH+]2CCOCC2)CCN(C(=O)NCCC[C@@H]2CC2(Cl)Cl)CC1 ZINC000858592335 662115667 /nfs/dbraw/zinc/11/56/67/662115667.db2.gz ZBSJJKCIBGRPIS-CQSZACIVSA-N 1 0 378.344 2.857 20 0 GFADRO Cc1cc(Br)c(F)cc1S(=O)(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000858611839 662116395 /nfs/dbraw/zinc/11/63/95/662116395.db2.gz TUIAFCYHEYKUFV-OAHLLOKOSA-N 1 0 391.306 2.661 20 0 GFADRO CC(=O)c1ccc(Cl)c(S(=O)(=O)N2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)c1 ZINC000858623466 662117044 /nfs/dbraw/zinc/11/70/44/662117044.db2.gz JLTREOLRVIWQDG-VXGBXAGGSA-N 1 0 398.834 2.690 20 0 GFADRO COC(=O)Nc1ccc(S(=O)(=O)NCC[NH+]2CCCCCC2)cc1Cl ZINC000858896338 662126489 /nfs/dbraw/zinc/12/64/89/662126489.db2.gz WSFICOCQVDOGMI-UHFFFAOYSA-N 1 0 389.905 2.673 20 0 GFADRO C[C@H]([NH2+]CCc1cn(C)nn1)c1nc(-c2ccc(Br)cc2)no1 ZINC000859250437 662147696 /nfs/dbraw/zinc/14/76/96/662147696.db2.gz VRTOREKPFCCIRM-JTQLQIEISA-N 1 0 377.246 2.521 20 0 GFADRO CC[NH+](CC)CCCCNC(=O)c1cc(Br)c2ncc(C=O)n2c1 ZINC000859358236 662156281 /nfs/dbraw/zinc/15/62/81/662156281.db2.gz YHKQLFJIPIERHM-UHFFFAOYSA-N 1 0 395.301 2.761 20 0 GFADRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2c(Cl)nn(C)c2Cl)[C@@H](C)C1 ZINC000859417367 662161326 /nfs/dbraw/zinc/16/13/26/662161326.db2.gz RGZRAXJBDJRVIS-NWDGAFQWSA-N 1 0 377.316 2.594 20 0 GFADRO C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)Nc1cc3c(cc1Br)OCCO3)C2 ZINC000859621096 662170179 /nfs/dbraw/zinc/17/01/79/662170179.db2.gz OFDANKUQJRJYCJ-CALCHBBNSA-N 1 0 396.285 2.684 20 0 GFADRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)c2cc(Br)cnc2F)C1 ZINC000859805267 662175648 /nfs/dbraw/zinc/17/56/48/662175648.db2.gz MJRYNKDIOFMSPB-CYBMUJFWSA-N 1 0 388.281 2.556 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2C(=O)c1cc(Br)cc(C=O)c1 ZINC000860312677 662196731 /nfs/dbraw/zinc/19/67/31/662196731.db2.gz MFPAXCWKWGUFAT-IXDOHACOSA-N 1 0 395.297 2.585 20 0 GFADRO CSc1ccc(/C=C\C(=O)N[C@@H](CC(C)C)C(=O)NCC[NH+](C)C)s1 ZINC000860454394 662201433 /nfs/dbraw/zinc/20/14/33/662201433.db2.gz VSHPZPNYJALOPR-LYASGUKUSA-N 1 0 383.583 2.692 20 0 GFADRO CC(C)(O)C[N@@H+]1CCc2c(cccc2NC(=O)[C@@H]2C[C@]2(C)Br)C1 ZINC000860760462 662213729 /nfs/dbraw/zinc/21/37/29/662213729.db2.gz LOGPDOJLNWPGGD-KSSFIOAISA-N 1 0 381.314 2.928 20 0 GFADRO CO[C@H]1C[N@H+](C)[C@@](C)(COC(=O)Cn2nc(C(F)(F)F)c(Cl)c2C)C1 ZINC000861351700 662241856 /nfs/dbraw/zinc/24/18/56/662241856.db2.gz DXZCTDYXCXTVSA-QMTHXVAHSA-N 1 0 383.798 2.516 20 0 GFADRO C[C@H]1CC[C@H](NC(=O)C(=O)Nc2cccc(Cl)c2SC(F)F)C[NH2+]1 ZINC000861523408 662248888 /nfs/dbraw/zinc/24/88/88/662248888.db2.gz GTHMHHFSDIFWOZ-IUCAKERBSA-N 1 0 377.844 2.850 20 0 GFADRO Cc1nc2c(s1)[C@H](NC(=O)N1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1)CCC2 ZINC000861619945 662251775 /nfs/dbraw/zinc/25/17/75/662251775.db2.gz RBFBQDLTORSESW-GMXVVIOVSA-N 1 0 376.448 2.998 20 0 GFADRO COC(=O)[C@@H](Cc1ccccc1)[C@@H](C)[NH2+]Cc1cn(C)nc1Br ZINC000862360466 662282277 /nfs/dbraw/zinc/28/22/77/662282277.db2.gz MMADSKLZUDDJHH-DOMZBBRYSA-N 1 0 380.286 2.693 20 0 GFADRO O[C@@H]1C[C@H]2CN(Cc3c(F)ccc(C(F)(F)F)c3Br)CC[N@@H+]2C1 ZINC000862401254 662285535 /nfs/dbraw/zinc/28/55/35/662285535.db2.gz CALDAQQRVYPHQL-VHSXEESVSA-N 1 0 397.210 2.858 20 0 GFADRO O=C(NC[C@@H]1CC[N@@H+]1C1CCCCC1)c1nccn2c(Br)cnc12 ZINC000862630526 662295214 /nfs/dbraw/zinc/29/52/14/662295214.db2.gz YZHVOHJCLYKVBL-ZDUSSCGKSA-N 1 0 392.301 2.629 20 0 GFADRO C[NH+]1CCC(CNC(=S)N[C@H]2CCN(c3ccc(Cl)cc3F)C2)CC1 ZINC000863235554 662316642 /nfs/dbraw/zinc/31/66/42/662316642.db2.gz AZAFFXUZECZFRA-HNNXBMFYSA-N 1 0 384.952 2.864 20 0 GFADRO CCN1C(=O)CN(C[N@@H+]2C[C@@H](c3ccc(Br)cc3)C[C@H]2C)C1=O ZINC000863323675 662320479 /nfs/dbraw/zinc/32/04/79/662320479.db2.gz RGDSFZXGMJXQCZ-OCCSQVGLSA-N 1 0 380.286 2.869 20 0 GFADRO [NH3+]C[C@@H]1CN(CCS(=O)(=O)c2ccc(Cl)cc2)CC[C@@H]1C(F)(F)F ZINC000863553185 662336320 /nfs/dbraw/zinc/33/63/20/662336320.db2.gz WIPNFUWYZOOTLG-RISCZKNCSA-N 1 0 384.851 2.573 20 0 GFADRO O=C(NCC[NH+]1CCCC1)c1c(F)ccc(I)c1Cl ZINC000864611881 662381479 /nfs/dbraw/zinc/38/14/79/662381479.db2.gz OBAOBXYJNNBMFI-UHFFFAOYSA-N 1 0 396.631 2.909 20 0 GFADRO O=C(c1cc(Br)cn2ccnc12)N1CC[NH+](C2CCCC2)CC1 ZINC000864776616 662386331 /nfs/dbraw/zinc/38/63/31/662386331.db2.gz WZLJVYRXHFCFGN-UHFFFAOYSA-N 1 0 377.286 2.797 20 0 GFADRO C[NH+]1CCN(c2ccnc(NC(=S)NCCCCC(F)(F)F)c2)CC1 ZINC000865254258 662407744 /nfs/dbraw/zinc/40/77/44/662407744.db2.gz VHFFPSVPEATCKF-UHFFFAOYSA-N 1 0 375.464 2.852 20 0 GFADRO C[NH+]1CCC(NC(=S)N[C@@H]2[C@H]3Cc4ccc(Br)cc4[C@@H]23)CC1 ZINC000865271591 662408911 /nfs/dbraw/zinc/40/89/11/662408911.db2.gz FWQACIMQSDPSIZ-ARFHVFGLSA-N 1 0 380.355 2.646 20 0 GFADRO C[NH+]1CCC(NC(=O)CSc2nnc(NCCc3cccs3)s2)CC1 ZINC000865351234 662415598 /nfs/dbraw/zinc/41/55/98/662415598.db2.gz SMVVZESSTCFJNU-UHFFFAOYSA-N 1 0 397.595 2.557 20 0 GFADRO CC(C)(C)[NH+]1CCC(Nc2ccc(Br)cc2S(N)(=O)=O)CC1 ZINC000865453738 662422282 /nfs/dbraw/zinc/42/22/82/662422282.db2.gz JKIRVNILBBURAM-UHFFFAOYSA-N 1 0 390.347 2.771 20 0 GFADRO COc1cc(OC)cc([C@@H](O)C[NH2+]Cc2cc(Br)cnc2OC)c1 ZINC000865468353 662423200 /nfs/dbraw/zinc/42/32/00/662423200.db2.gz GRYMGZCXDODDHN-INIZCTEOSA-N 1 0 397.269 2.693 20 0 GFADRO OC[C@H]1CCN(Cc2ccccc2)C[C@H]1[NH2+]Cc1cccnc1Br ZINC000865470203 662423225 /nfs/dbraw/zinc/42/32/25/662423225.db2.gz GPUNNOWGLAGCSW-QZTJIDSGSA-N 1 0 390.325 2.817 20 0 GFADRO Cc1ccnc(CNC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c1Br ZINC000865473182 662423655 /nfs/dbraw/zinc/42/36/55/662423655.db2.gz LJYMJYXPKXSGAE-IBGZPJMESA-N 1 0 390.325 2.879 20 0 GFADRO COc1ncc(Br)cc1C[NH2+][C@@H]1CCN(c2ncccc2F)C1 ZINC000865489024 662424689 /nfs/dbraw/zinc/42/46/89/662424689.db2.gz LMKFMYKSOOORJK-CYBMUJFWSA-N 1 0 381.249 2.755 20 0 GFADRO COc1ncc(Br)cc1CNC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000865494547 662424913 /nfs/dbraw/zinc/42/49/13/662424913.db2.gz CXWPECBJCOFYHF-DLBZAZTESA-N 1 0 398.345 2.710 20 0 GFADRO CC(C)(C)Oc1cccc(C[NH2+]C[C@@H](O)CS(=O)(=O)c2cccs2)c1 ZINC000865507768 662425664 /nfs/dbraw/zinc/42/56/64/662425664.db2.gz HJNPEACFYGEFPG-OAHLLOKOSA-N 1 0 383.535 2.850 20 0 GFADRO CCC[C@@H]([NH2+]Cc1ccc(Cl)c(S(N)(=O)=O)c1)[C@@H](O)c1ccccc1 ZINC000865548573 662428333 /nfs/dbraw/zinc/42/83/33/662428333.db2.gz JATPKRRGWIRRSC-AEFFLSMTSA-N 1 0 382.913 2.979 20 0 GFADRO OCCOC1(C[NH2+]Cc2cccnc2Br)CCC(F)(F)CC1 ZINC000865641515 662433323 /nfs/dbraw/zinc/43/33/23/662433323.db2.gz ZDSOYFSTPQGJQB-UHFFFAOYSA-N 1 0 379.245 2.891 20 0 GFADRO O=C1CNC(=O)N1Cc1ccc(C[NH2+]Cc2sccc2Br)cc1 ZINC000865773728 662442441 /nfs/dbraw/zinc/44/24/41/662442441.db2.gz XTPRIRFIQZBMOG-UHFFFAOYSA-N 1 0 394.294 2.852 20 0 GFADRO CC[NH+](CC)CCCCNC(=O)[C@H](NC(C)=O)c1cccc(Br)c1 ZINC000865793616 662444134 /nfs/dbraw/zinc/44/41/34/662444134.db2.gz TVBDXHAOLRJLHQ-QGZVFWFLSA-N 1 0 398.345 2.865 20 0 GFADRO COCC[NH+](CCOC)C1CCN(c2nc(C)ccc2Br)CC1 ZINC000865801005 662444282 /nfs/dbraw/zinc/44/42/82/662444282.db2.gz WOLOBSBMKMEUNZ-UHFFFAOYSA-N 1 0 386.334 2.716 20 0 GFADRO CC(C)(C[NH2+]Cc1cc2cc(Br)ccc2o1)CS(N)(=O)=O ZINC000865813580 662444925 /nfs/dbraw/zinc/44/49/25/662444925.db2.gz AFDNGZRRDOFBAE-UHFFFAOYSA-N 1 0 375.288 2.600 20 0 GFADRO CSc1cc(C(=O)NC[C@@H](C)N2CC[NH+](C)CC2)ccc1Br ZINC000865816899 662445149 /nfs/dbraw/zinc/44/51/49/662445149.db2.gz SRJALKLFOCELEL-GFCCVEGCSA-N 1 0 386.359 2.537 20 0 GFADRO O=C(c1cc(F)c(Br)cc1F)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000866379115 662469617 /nfs/dbraw/zinc/46/96/17/662469617.db2.gz GFPFJPZWPOVBJR-LLVKDONJSA-N 1 0 389.240 2.522 20 0 GFADRO C[NH+]1CCN(CCCS(=O)(=O)Oc2ccc(Cl)c3ccccc23)CC1 ZINC000866383397 662469630 /nfs/dbraw/zinc/46/96/30/662469630.db2.gz LIFMPVSDEILTMF-UHFFFAOYSA-N 1 0 382.913 2.839 20 0 GFADRO C[NH+](C)C1(CS(=O)(=O)Oc2ccc(NC(=O)c3cccs3)cc2)CC1 ZINC000866390986 662469948 /nfs/dbraw/zinc/46/99/48/662469948.db2.gz XUPGMMGHFQYJFI-UHFFFAOYSA-N 1 0 380.491 2.803 20 0 GFADRO C[C@@H]([NH2+]CC[C@@H]1CCSC1)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000866402271 662470531 /nfs/dbraw/zinc/47/05/31/662470531.db2.gz IZMLNLPCBZXYKC-HZPDHXFCSA-N 1 0 384.567 2.501 20 0 GFADRO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@H]1CCN(CC(C)(C)O)C1 ZINC000866412710 662471438 /nfs/dbraw/zinc/47/14/38/662471438.db2.gz BIDKSFGHFMNWAE-CJNGLKHVSA-N 1 0 398.345 2.601 20 0 GFADRO C[C@H]([NH2+][C@@H]1[C@H]2C[C@H]3CO[C@H]1[C@H]3C2)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000866444367 662473601 /nfs/dbraw/zinc/47/36/01/662473601.db2.gz GQLGUHJALHTKAU-SGQZTGHJSA-N 1 0 391.320 2.715 20 0 GFADRO O=S1(=O)CC[C@H]([NH2+][C@H]2[C@@H]3OC[C@@H]4C[C@H]2C[C@@H]43)c2cc(Br)ccc21 ZINC000866446604 662473635 /nfs/dbraw/zinc/47/36/35/662473635.db2.gz VOIRMHFBOUXHCW-VDLIRWOSSA-N 1 0 398.322 2.681 20 0 GFADRO CCO[C@H](CC[NH+](C)C)CNC(=O)c1cc(F)c(Br)cc1F ZINC000866454002 662474244 /nfs/dbraw/zinc/47/42/44/662474244.db2.gz AVXSMOFRNIBHHO-SNVBAGLBSA-N 1 0 379.245 2.814 20 0 GFADRO C[NH+](C)C1CCN(S(=O)(=O)c2oc3ccccc3c2Br)CC1 ZINC000866483928 662476299 /nfs/dbraw/zinc/47/62/99/662476299.db2.gz NTELEFGAVGOBLD-UHFFFAOYSA-N 1 0 387.299 2.910 20 0 GFADRO O=C1OC[C@@]2(C[NH2+][C@@H]3CCSc4ccc(Br)cc43)COCCN12 ZINC000866519682 662478704 /nfs/dbraw/zinc/47/87/04/662478704.db2.gz UKAHHOWJNBVKLE-CZUORRHYSA-N 1 0 399.310 2.797 20 0 GFADRO C[C@@H]([NH2+]CCCCC1CC1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000866539360 662479430 /nfs/dbraw/zinc/47/94/30/662479430.db2.gz BHVRAVKBRHDAOQ-CQSZACIVSA-N 1 0 388.555 2.643 20 0 GFADRO CC(C)(C[NH2+]C1CC(c2ccc(Br)cc2)C1)CS(N)(=O)=O ZINC000866572301 662480959 /nfs/dbraw/zinc/48/09/59/662480959.db2.gz NBDIPGDRKUEQPJ-UHFFFAOYSA-N 1 0 375.332 2.599 20 0 GFADRO Cc1ccc(Br)c(CS(=O)(=O)NC[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000866753961 662494740 /nfs/dbraw/zinc/49/47/40/662494740.db2.gz JOINUSCZIDBBDR-ZDUSSCGKSA-N 1 0 375.332 2.519 20 0 GFADRO C[C@@H](NS(=O)(=O)c1cccc(Cl)c1Br)C1CC[NH2+]CC1 ZINC000866811513 662500939 /nfs/dbraw/zinc/50/09/39/662500939.db2.gz ZDZMNUBOGDZVOJ-SECBINFHSA-N 1 0 381.723 2.769 20 0 GFADRO O=S(=O)(c1c(Cl)cccc1Br)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000866824631 662502202 /nfs/dbraw/zinc/50/22/02/662502202.db2.gz NDSJEWYGRYDWRU-NWDGAFQWSA-N 1 0 379.707 2.618 20 0 GFADRO Cc1ccc(Br)c(CS(=O)(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000866871555 662505209 /nfs/dbraw/zinc/50/52/09/662505209.db2.gz PLUNRYVPTPJRRX-JSGCOSHPSA-N 1 0 375.332 2.660 20 0 GFADRO CS[C@@H]1CN(C(=O)c2nc(Br)sc2Cl)C[C@H]1[NH+](C)C ZINC000867021692 662517171 /nfs/dbraw/zinc/51/71/71/662517171.db2.gz YBBSRBNEESWATG-RNFRBKRXSA-N 1 0 384.752 2.677 20 0 GFADRO C[C@H](C1CC[NH+](C)CC1)N(C)S(=O)(=O)c1cc2nc(Cl)ncc2s1 ZINC000867064666 662520167 /nfs/dbraw/zinc/52/01/67/662520167.db2.gz PZEWNHIEVXSEHQ-SNVBAGLBSA-N 1 0 388.946 2.696 20 0 GFADRO C[NH+]1CCC2(CCCN(S(=O)(=O)c3ccc4onc(Cl)c4c3)C2)CC1 ZINC000867225261 662533317 /nfs/dbraw/zinc/53/33/17/662533317.db2.gz LGJHSPFCEDPUNE-UHFFFAOYSA-N 1 0 383.901 2.978 20 0 GFADRO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000867292135 662539499 /nfs/dbraw/zinc/53/94/99/662539499.db2.gz MTYKLQTVQLUNOF-CZUORRHYSA-N 1 0 384.307 2.504 20 0 GFADRO COc1ccc2nc(Cl)ccc2c1S(=O)(=O)N1CC[C@@H]([NH+](C)C)[C@H]1C ZINC000867310010 662541316 /nfs/dbraw/zinc/54/13/16/662541316.db2.gz VCNKGFSTXGMSKI-BXUZGUMPSA-N 1 0 383.901 2.610 20 0 GFADRO CN(Cc1c(Cl)cccc1Cl)C(=O)C(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000867340472 662543453 /nfs/dbraw/zinc/54/34/53/662543453.db2.gz MAQKGSDJBQZHAH-MLGOLLRUSA-N 1 0 384.307 2.504 20 0 GFADRO COCCN(CC1CC[NH+](C)CC1)S(=O)(=O)c1c(Cl)ccc(F)c1F ZINC000867581524 662560985 /nfs/dbraw/zinc/56/09/85/662560985.db2.gz NVTGZSPMQFEKKH-UHFFFAOYSA-N 1 0 396.887 2.597 20 0 GFADRO C[NH+]1CCC2(CCN(S(=O)(=O)c3ccc(C(F)(F)F)nc3)CC2)CC1 ZINC000867619687 662563390 /nfs/dbraw/zinc/56/33/90/662563390.db2.gz XLKSNDVRKDAGJU-UHFFFAOYSA-N 1 0 377.432 2.597 20 0 GFADRO CCC1([NH+](C)C)CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)OC)c2)CC1 ZINC000867632255 662564422 /nfs/dbraw/zinc/56/44/22/662564422.db2.gz UCSUDYKLKDQCDD-UHFFFAOYSA-N 1 0 388.917 2.622 20 0 GFADRO CN(C[C@H]1CCCC[N@@H+]1Cc1ccccc1)S(=O)(=O)c1c[nH]c(=O)s1 ZINC000867896051 662585952 /nfs/dbraw/zinc/58/59/52/662585952.db2.gz GGLOUOOAZYQEIO-OAHLLOKOSA-N 1 0 381.523 2.524 20 0 GFADRO C[C@@H]1CN(CCN(C)C(=O)c2nc(Br)sc2Cl)C[C@H](C)O1 ZINC000867905125 662586389 /nfs/dbraw/zinc/58/63/89/662586389.db2.gz UHASDJONCUXJCL-DTORHVGOSA-N 1 0 396.738 2.740 20 0 GFADRO CCOC(=O)c1cc(NC(=O)[C@@H]([NH3+])c2cccc(Br)c2)cn1C ZINC000867942549 662588485 /nfs/dbraw/zinc/58/84/85/662588485.db2.gz BYNRZVKSJRTKGS-AWEZNQCLSA-N 1 0 380.242 2.603 20 0 GFADRO C[C@@H](NC(=O)c1cc(F)c(F)cc1I)C1CC[NH2+]CC1 ZINC000868001996 662591098 /nfs/dbraw/zinc/59/10/98/662591098.db2.gz REIQCMFUPJHPQE-MRVPVSSYSA-N 1 0 394.203 2.687 20 0 GFADRO COC[C@]1(C(=O)Nc2ccc(Br)c(Br)c2)CC[NH2+]C1 ZINC000868029019 662591838 /nfs/dbraw/zinc/59/18/38/662591838.db2.gz DNQMHVIMZZZNIH-ZDUSSCGKSA-N 1 0 392.091 2.776 20 0 GFADRO CS(=O)(=O)c1ccc(Cl)c(C(=O)N2C[C@H](C[NH3+])Cc3ccccc32)c1 ZINC000868047832 662592630 /nfs/dbraw/zinc/59/26/30/662592630.db2.gz TYAAMWWMJBEWRZ-LBPRGKRZSA-N 1 0 378.881 2.521 20 0 GFADRO C[C@@H]1CN(C(=O)Nc2cnc(Br)c(Br)c2)C[C@H]1C[NH3+] ZINC000868132961 662595478 /nfs/dbraw/zinc/59/54/78/662595478.db2.gz SRXJVOXFVWSPPC-HTQZYQBOSA-N 1 0 392.095 2.665 20 0 GFADRO COC(=O)c1cc(NC(=O)N2CCC[C@H]3[NH2+]CC[C@@H]32)ccc1Br ZINC000868143490 662596054 /nfs/dbraw/zinc/59/60/54/662596054.db2.gz SNYZKIUXXFFOLC-KGLIPLIRSA-N 1 0 382.258 2.594 20 0 GFADRO [NH3+]CCN(CCO)C(=O)Nc1nc([C@@H]2CCC[C@@H](C(F)(F)F)C2)cs1 ZINC000868170691 662597574 /nfs/dbraw/zinc/59/75/74/662597574.db2.gz IBCHXBBYFHOJGO-GHMZBOCLSA-N 1 0 380.436 2.764 20 0 GFADRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)N[C@@H]1[C@H]2Cc3ccc(Br)cc3[C@@H]12 ZINC000868354690 662602770 /nfs/dbraw/zinc/60/27/70/662602770.db2.gz KRZMNUAWXDOLLD-ZUHTVMMCSA-N 1 0 390.325 2.871 20 0 GFADRO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1cc(Br)ncc1Br ZINC000868567898 662609780 /nfs/dbraw/zinc/60/97/80/662609780.db2.gz WWWIUKPGPYWHPD-KCJUWKMLSA-N 1 0 391.107 2.771 20 0 GFADRO O=C([C@H](O)c1cnc[nH]1)N1CCCC[C@H]1Cc1ccccc1Br ZINC000868593832 662611124 /nfs/dbraw/zinc/61/11/24/662611124.db2.gz AIDGTQNEYWHEAO-XJKSGUPXSA-N 1 0 378.270 2.829 20 0 GFADRO C[NH+]1CCC([C@H]2CCN(C(=O)NCc3ncc(Br)s3)C2)CC1 ZINC000869194003 662634234 /nfs/dbraw/zinc/63/42/34/662634234.db2.gz CYQUAPIGSFHRGB-LBPRGKRZSA-N 1 0 387.347 2.779 20 0 GFADRO COCCN(CC1CC[NH+](C)CC1)C(=O)C(=O)c1cc(Cl)cc(Cl)c1 ZINC000869759423 662660398 /nfs/dbraw/zinc/66/03/98/662660398.db2.gz AHXQWYUZMWETFS-UHFFFAOYSA-N 1 0 387.307 2.993 20 0 GFADRO C[NH+](C)Cc1ccsc1C(=O)N1CC(O)(c2cccc(Br)c2)C1 ZINC000870233456 662679582 /nfs/dbraw/zinc/67/95/82/662679582.db2.gz AORSVOVISPHJEY-UHFFFAOYSA-N 1 0 395.322 2.916 20 0 GFADRO CC(C)[N@@H+]1CCO[C@H](COC(=O)Cc2csc(CCC(F)(F)F)n2)C1 ZINC000870282636 662682425 /nfs/dbraw/zinc/68/24/25/662682425.db2.gz CESXOLSWDJEGIU-ZDUSSCGKSA-N 1 0 380.432 2.833 20 0 GFADRO C[C@@H](C[C@@H]1CCCC[N@@H+]1C)OC(=O)c1c(Br)nc2n1CCOC2 ZINC000870784989 662701588 /nfs/dbraw/zinc/70/15/88/662701588.db2.gz KPUFMXWFWGDVDX-RYUDHWBXSA-N 1 0 386.290 2.596 20 0 GFADRO CCCC(=O)NC[C@@H]1CCCN(C(=O)[C@H]([NH3+])c2cccc(Br)c2)C1 ZINC000870878510 662704408 /nfs/dbraw/zinc/70/44/08/662704408.db2.gz MELQVYMWEOEZFG-SUMWQHHRSA-N 1 0 396.329 2.604 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC000870878691 662704614 /nfs/dbraw/zinc/70/46/14/662704614.db2.gz PRICKKHQBPOYPM-MQMHXKEQSA-N 1 0 382.302 2.720 20 0 GFADRO [NH3+][C@H]1CC[C@@H](C(=O)NCc2nc(-c3cccc(Br)c3)no2)CC1 ZINC000870931954 662708687 /nfs/dbraw/zinc/70/86/87/662708687.db2.gz QJNKGGBGZYQREP-GSJFWJNXSA-N 1 0 379.258 2.633 20 0 GFADRO O=C(CCC12CC(C1)C[NH2+]2)N1CCOC[C@@H]1c1ccc(Br)cc1 ZINC000870953971 662711502 /nfs/dbraw/zinc/71/15/02/662711502.db2.gz WBCXGSOIZBJYDE-CRPOECCBSA-N 1 0 379.298 2.881 20 0 GFADRO Cc1nn(-c2ccc(C(=O)NC[C@H]3C[C@@H]([NH3+])C3)cc2)c(C)c1Br ZINC000870968433 662711702 /nfs/dbraw/zinc/71/17/02/662711702.db2.gz KGTVPOMMGLJAOY-XBXGTLAGSA-N 1 0 377.286 2.719 20 0 GFADRO C[C@@H](NC(=O)[C@H]1CCN(c2cc(Cl)ccc2Cl)C1=O)C1CC[NH2+]CC1 ZINC000870986416 662712190 /nfs/dbraw/zinc/71/21/90/662712190.db2.gz PFKHPWGAFWYRBD-BXUZGUMPSA-N 1 0 384.307 2.851 20 0 GFADRO CCn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000871064209 662714702 /nfs/dbraw/zinc/71/47/02/662714702.db2.gz VTYOOGZAYLMLLR-GXTWGEPZSA-N 1 0 393.333 2.596 20 0 GFADRO C[N@@H+]1CCN(C(=O)c2cc(Br)cc3[nH]c(=O)[nH]c32)CCC1(C)C ZINC000871158345 662716631 /nfs/dbraw/zinc/71/66/31/662716631.db2.gz YRTYWKKMFVZEMH-UHFFFAOYSA-N 1 0 381.274 2.587 20 0 GFADRO [NH3+]C[C@H]1CN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)C[C@H]1C(F)(F)F ZINC000871811716 662734822 /nfs/dbraw/zinc/73/48/22/662734822.db2.gz RAYXZLZRLVPRAS-IONNQARKSA-N 1 0 377.215 2.751 20 0 GFADRO [NH3+]C[C@@H]1CN(S(=O)(=O)Cc2c(Cl)cccc2Cl)C[C@H]1C(F)(F)F ZINC000871814660 662735458 /nfs/dbraw/zinc/73/54/58/662735458.db2.gz WDPDISIOKBKJRW-PSASIEDQSA-N 1 0 391.242 2.892 20 0 GFADRO COc1ccc(S(=O)(=O)N(C)CCCCCC[NH3+])c(Br)c1 ZINC000871821440 662735865 /nfs/dbraw/zinc/73/58/65/662735865.db2.gz USPYQNMKNZXTOT-UHFFFAOYSA-N 1 0 379.320 2.597 20 0 GFADRO O=C1N[C@@H](Cc2cncs2)C(=O)N1C[C@H](c1cccs1)[NH+]1CCCC1 ZINC000871897276 662740422 /nfs/dbraw/zinc/74/04/22/662740422.db2.gz RMNYPPNZQUXKGH-UONOGXRCSA-N 1 0 376.507 2.505 20 0 GFADRO C[C@@H]([NH2+]CC1CCN(S(=O)(=O)C(F)(F)F)CC1)c1cccc(O)c1F ZINC000872035994 662754488 /nfs/dbraw/zinc/75/44/88/662754488.db2.gz ORSABMWECTXQTL-SNVBAGLBSA-N 1 0 384.395 2.744 20 0 GFADRO CC(C)(C)[C@@H]1C[C@H]([NH2+]CCNS(=O)(=O)c2ccc(Cl)s2)CCO1 ZINC000872053881 662754849 /nfs/dbraw/zinc/75/48/49/662754849.db2.gz XVELJRZBCRYGRP-NEPJUHHUSA-N 1 0 380.963 2.863 20 0 GFADRO CN(Cc1c(F)cccc1Cl)C(=O)CN1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000872147468 662756401 /nfs/dbraw/zinc/75/64/01/662756401.db2.gz ISAKYXXYFQKVOE-JQWIXIFHSA-N 1 0 381.801 2.507 20 0 GFADRO [NH3+]C[C@H]1CN(Cc2cc3c(cc2Br)OCCO3)C[C@@H]1C(F)(F)F ZINC000872148101 662756700 /nfs/dbraw/zinc/75/67/00/662756700.db2.gz NIXKKBLXMMHZLQ-QWRGUYRKSA-N 1 0 395.219 2.789 20 0 GFADRO COc1cc(I)ccc1-c1nc(CC2CC[NH2+]CC2)no1 ZINC000872172131 662757425 /nfs/dbraw/zinc/75/74/25/662757425.db2.gz YLVIDYKKIYBWKZ-UHFFFAOYSA-N 1 0 399.232 2.892 20 0 GFADRO Cn1ccnc1[C@H]1C[C@H]([NH2+]C[C@@H](O)c2ccc(Br)cc2)CCO1 ZINC000872209152 662758028 /nfs/dbraw/zinc/75/80/28/662758028.db2.gz GENFXDXGHOGLCA-BZUAXINKSA-N 1 0 380.286 2.726 20 0 GFADRO OC[C@@H](C[C@H](O)c1ccccc1)[NH2+]C[C@@H](O)c1ccc(Br)cc1 ZINC000872214749 662758070 /nfs/dbraw/zinc/75/80/70/662758070.db2.gz DIUAIRSSHXZCIF-FGTMMUONSA-N 1 0 380.282 2.557 20 0 GFADRO O[C@H](C[NH2+]C[C@@H]1CC2(CO1)CCOCC2)COc1cc(Cl)cc(Cl)c1 ZINC000872228622 662758245 /nfs/dbraw/zinc/75/82/45/662758245.db2.gz HSTDVFXGGCQALL-WBVHZDCISA-N 1 0 390.307 2.908 20 0 GFADRO CCOc1ccc(OC[C@H](O)C[NH2+]Cc2ccc(Br)cn2)cc1 ZINC000872234631 662758834 /nfs/dbraw/zinc/75/88/34/662758834.db2.gz VRMGTQYMFPXYRR-OAHLLOKOSA-N 1 0 381.270 2.772 20 0 GFADRO Cc1nccnc1[C@@H](C)[NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000872252812 662759279 /nfs/dbraw/zinc/75/92/79/662759279.db2.gz VZMVQCIBCPEZRV-BXUZGUMPSA-N 1 0 384.249 2.777 20 0 GFADRO O=C1CC[C@@H]([NH+]2CCN(c3nc4c(cc(Cl)cc4F)s3)CC2)CCN1 ZINC000872564913 662777120 /nfs/dbraw/zinc/77/71/20/662777120.db2.gz MJUSMQAFGSYPGX-GFCCVEGCSA-N 1 0 382.892 2.880 20 0 GFADRO C[N@@H+]1CCN(CN2C(=O)N[C@](C)(c3ccc(Cl)s3)C2=O)CCC1(C)C ZINC000872695109 662785966 /nfs/dbraw/zinc/78/59/66/662785966.db2.gz DJEZUKZFPQJHHJ-QGZVFWFLSA-N 1 0 384.933 2.542 20 0 GFADRO CN1CC[C@H]2C[N@H+](Cn3ccc(=O)c4cccc(Br)c43)CC[C@H]21 ZINC000872726522 662786829 /nfs/dbraw/zinc/78/68/29/662786829.db2.gz RPKKKAUWHDGOLN-XJKSGUPXSA-N 1 0 376.298 2.748 20 0 GFADRO Cc1ccc([C@H](NCc2cc3c(s2)CC[NH2+]C3)[C@H](C)S(C)(=O)=O)cc1 ZINC000873210861 662803887 /nfs/dbraw/zinc/80/38/87/662803887.db2.gz QUDMQFUMTIEWKU-IFXJQAMLSA-N 1 0 378.563 2.966 20 0 GFADRO [NH3+]C[C@@H]1CN(Cc2cn(-c3ccc(F)cc3Cl)nn2)C[C@@H]1C(F)(F)F ZINC000873227549 662804102 /nfs/dbraw/zinc/80/41/02/662804102.db2.gz JDDLNZPEIPHQNM-SKDRFNHKSA-N 1 0 377.773 2.629 20 0 GFADRO COc1cc(Br)c(CN2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)cc1O ZINC000873227809 662804267 /nfs/dbraw/zinc/80/42/67/662804267.db2.gz MDEPAKPULBANHS-NXEZZACHSA-N 1 0 383.208 2.732 20 0 GFADRO COc1ccc(CN2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)c(Br)c1O ZINC000873227805 662804326 /nfs/dbraw/zinc/80/43/26/662804326.db2.gz MDEMHFLCNIQNEC-VHSXEESVSA-N 1 0 383.208 2.732 20 0 GFADRO CC(=O)Nc1ccc(Cl)c(NC(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)c1 ZINC000873304450 662804992 /nfs/dbraw/zinc/80/49/92/662804992.db2.gz QJXBGVPTGACAMP-KOLCDFICSA-N 1 0 378.782 2.899 20 0 GFADRO Cn1cc(Br)cc(NC(=O)N[C@H]2CCCCC23CC[NH2+]CC3)c1=O ZINC000873312411 662805129 /nfs/dbraw/zinc/80/51/29/662805129.db2.gz OAUHGIOOLPTESO-AWEZNQCLSA-N 1 0 397.317 2.582 20 0 GFADRO Cc1csc([C@H](NC(=O)N2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)C(F)(F)F)n1 ZINC000873329547 662805652 /nfs/dbraw/zinc/80/56/52/662805652.db2.gz WWDCTOUAAVSGQM-CIUDSAMLSA-N 1 0 390.353 2.834 20 0 GFADRO Cc1cc(Br)nc(NC(=O)N2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)c1 ZINC000873330519 662805660 /nfs/dbraw/zinc/80/56/60/662805660.db2.gz XFMJOFGZZOGBKA-DTWKUNHWSA-N 1 0 381.196 2.753 20 0 GFADRO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)c1ccc(F)c(I)c1 ZINC000874838072 662837905 /nfs/dbraw/zinc/83/79/05/662837905.db2.gz MUAXEPLQOZSSHX-KBPBESRZSA-N 1 0 388.224 2.739 20 0 GFADRO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)c1c(F)cccc1I ZINC000874840055 662838145 /nfs/dbraw/zinc/83/81/45/662838145.db2.gz ZUGKWAXWURIBKN-CHWSQXEVSA-N 1 0 388.224 2.739 20 0 GFADRO C[NH+](C)C1(C)CCC(NC(=O)C(=O)NCc2ccc(Cl)c(Cl)c2)CC1 ZINC000875455925 662846278 /nfs/dbraw/zinc/84/62/78/662846278.db2.gz VQDDMTFSLUDLOB-UHFFFAOYSA-N 1 0 386.323 2.989 20 0 GFADRO Cn1cc([C@H]2C[N@H+](C)CC[C@H]2C(=O)Oc2ccc(F)c(Br)c2)cn1 ZINC000875529228 662847408 /nfs/dbraw/zinc/84/74/08/662847408.db2.gz YBWVULPBHSSEKU-ZIAGYGMSSA-N 1 0 396.260 2.963 20 0 GFADRO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)NCc2ccc(Br)cn2)C1 ZINC000876215791 662856922 /nfs/dbraw/zinc/85/69/22/662856922.db2.gz XTMWEYPQTVISBF-AWEZNQCLSA-N 1 0 381.318 2.717 20 0 GFADRO CC(C)(C)[N@@H+]1CCCN(C(=O)NCc2ncc(Br)s2)CC1 ZINC000876285678 662858900 /nfs/dbraw/zinc/85/89/00/662858900.db2.gz IDZVULBVVJKMJZ-UHFFFAOYSA-N 1 0 375.336 2.921 20 0 GFADRO C[C@@]1(Br)C[C@H]1C(=O)Nc1cccc(C(=O)OC2CC[NH2+]CC2)c1 ZINC000876519540 662862348 /nfs/dbraw/zinc/86/23/48/662862348.db2.gz HBSLLYBOGWQNLF-WMLDXEAASA-N 1 0 381.270 2.707 20 0 GFADRO Cc1nc(C2CC[NH2+]CC2)sc1C(=O)Nc1ccc(C(N)=O)c(Cl)c1 ZINC000876582542 662863198 /nfs/dbraw/zinc/86/31/98/662863198.db2.gz RLBYOZYLYAKJGA-UHFFFAOYSA-N 1 0 378.885 2.923 20 0 GFADRO COC[C@]1(C(=O)Nc2ccc3cc(Br)ccc3c2)C[NH2+]CCO1 ZINC000876655196 662864254 /nfs/dbraw/zinc/86/42/54/662864254.db2.gz GRABQCKOKIZEJT-KRWDZBQOSA-N 1 0 379.254 2.546 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cc(F)c(Br)cc2F)CC1 ZINC000876866837 662867536 /nfs/dbraw/zinc/86/75/36/662867536.db2.gz LGRXLRKAZMRTJM-CABCVRRESA-N 1 0 389.240 2.696 20 0 GFADRO CCO[P@](C)(=O)CC[C@@H](C)[NH2+]Cc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000876938336 662868485 /nfs/dbraw/zinc/86/84/85/662868485.db2.gz AEFLQJPKELZBSJ-FATZIPQQSA-N 1 0 376.459 2.750 20 0 GFADRO CN(C)C(=O)CCN1CCC([NH2+]Cc2cc3nc(Cl)ccc3s2)CC1 ZINC000877009056 662869542 /nfs/dbraw/zinc/86/95/42/662869542.db2.gz SCGIYRTXOVFJSM-UHFFFAOYSA-N 1 0 380.945 2.982 20 0 GFADRO C[C@H]([NH2+]Cc1ccc(S(N)(=O)=O)s1)[C@H](O)c1c(Cl)cccc1Cl ZINC000877067385 662870663 /nfs/dbraw/zinc/87/06/63/662870663.db2.gz CQHJAYVEEOOBCF-RTHLEPHNSA-N 1 0 395.333 2.914 20 0 GFADRO O=C(/C=C/c1ccc(Br)o1)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000877114676 662871230 /nfs/dbraw/zinc/87/12/30/662871230.db2.gz XREQWYJCSXTJHC-OMDKTOEGSA-N 1 0 383.286 2.672 20 0 GFADRO CC1(C)CC[C@@H](CNC(=O)[C@@H]2CCO[C@H]2c2cncc(Br)c2)[NH2+]C1 ZINC000877155781 662871738 /nfs/dbraw/zinc/87/17/38/662871738.db2.gz YDWNBJODYZLVKU-XHSDSOJGSA-N 1 0 396.329 2.816 20 0 GFADRO Cn1ncc(Br)c1CNC(=O)[C@H]([NH3+])c1cccc(C(F)(F)F)c1 ZINC000877148914 662871798 /nfs/dbraw/zinc/87/17/98/662871798.db2.gz YUPUOJPZMHFGBC-GFCCVEGCSA-N 1 0 391.191 2.518 20 0 GFADRO COC(=O)c1ccc(C[NH2+][C@H](C)C(=O)NCc2ccco2)cc1Br ZINC000877149786 662871819 /nfs/dbraw/zinc/87/18/19/662871819.db2.gz GJUSDNSZQIPAOW-LLVKDONJSA-N 1 0 395.253 2.623 20 0 GFADRO Cc1cc(C(=O)NC[C@H]2C[C@@H]([NH3+])C2)c(I)cc1Cl ZINC000877240707 662872386 /nfs/dbraw/zinc/87/23/86/662872386.db2.gz ACULAUPLTFPNMN-DTORHVGOSA-N 1 0 378.641 2.720 20 0 GFADRO [NH3+]CCc1ccccc1C(=O)N[C@@H]1COc2cccc(Br)c2C1 ZINC000877259614 662872602 /nfs/dbraw/zinc/87/26/02/662872602.db2.gz SJYCKIXPHPDXQS-ZDUSSCGKSA-N 1 0 375.266 2.684 20 0 GFADRO O=C(c1cn(-c2ccc(Br)cc2)cn1)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000877276202 662872891 /nfs/dbraw/zinc/87/28/91/662872891.db2.gz DHVUUPYKLMYNRR-ZBFHGGJFSA-N 1 0 375.270 2.601 20 0 GFADRO COc1ccc(Br)cc1C(=O)CCC(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000877286505 662873249 /nfs/dbraw/zinc/87/32/49/662873249.db2.gz FFJNDVYVLGEXRY-HUUCEWRRSA-N 1 0 395.297 2.774 20 0 GFADRO O=C(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)c1cc(F)c(Br)cc1F ZINC000877326639 662873659 /nfs/dbraw/zinc/87/36/59/662873659.db2.gz CMUABKCYAMZZCG-JTQLQIEISA-N 1 0 389.240 2.616 20 0 GFADRO O=C(CCc1cc(F)ccc1Br)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000877328847 662873662 /nfs/dbraw/zinc/87/36/62/662873662.db2.gz LSZXNIDDFLBXHX-OAHLLOKOSA-N 1 0 399.304 2.796 20 0 GFADRO COC(=O)c1cn([C@@H]2CC[N@H+](Cc3cc4nc(Cl)ccc4s3)C2)nn1 ZINC000877352645 662874108 /nfs/dbraw/zinc/87/41/08/662874108.db2.gz ADLSDYWRGWWAPU-SNVBAGLBSA-N 1 0 377.857 2.775 20 0 GFADRO COc1cc(C(=O)N2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)ccc1Br ZINC000877354200 662874149 /nfs/dbraw/zinc/87/41/49/662874149.db2.gz CNFRBAFBVIFQSI-UWVGGRQHSA-N 1 0 381.192 2.667 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)c2ccc(Br)c(F)c2F)C[C@H]1C(F)(F)F ZINC000877354935 662874159 /nfs/dbraw/zinc/87/41/59/662874159.db2.gz JOOGJDUXKJJPTI-HTRCEHHLSA-N 1 0 387.146 2.937 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)Cc2cc(F)ccc2Br)C[C@@H]1C(F)(F)F ZINC000877359367 662874423 /nfs/dbraw/zinc/87/44/23/662874423.db2.gz GOSUIHWNELJGOV-KOLCDFICSA-N 1 0 383.183 2.726 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)CCOc2ccccc2Br)C[C@@H]1C(F)(F)F ZINC000877364930 662874751 /nfs/dbraw/zinc/87/47/51/662874751.db2.gz CCAUXJOHGWYPNW-QWRGUYRKSA-N 1 0 395.219 2.814 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)CCc2ccc(Br)cc2)C[C@@H]1C(F)(F)F ZINC000877368032 662874833 /nfs/dbraw/zinc/87/48/33/662874833.db2.gz OWPWUTQVUDRITR-YPMHNXCESA-N 1 0 379.220 2.977 20 0 GFADRO COc1ccc(C(=O)N2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)c(Br)c1 ZINC000877367200 662874845 /nfs/dbraw/zinc/87/48/45/662874845.db2.gz ZEYYDWQQBBOFEL-GZMMTYOYSA-N 1 0 381.192 2.667 20 0 GFADRO Cc1csc(C(=O)N[C@@]23CCC[C@@H]2[NH2+]CC3)c1I ZINC000877389931 662875275 /nfs/dbraw/zinc/87/52/75/662875275.db2.gz PUYJSPLTPDADLU-TVQRCGJNSA-N 1 0 376.263 2.676 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C(=O)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000877388750 662875285 /nfs/dbraw/zinc/87/52/85/662875285.db2.gz FFMXQMLJNNAMLZ-WMZOPIPTSA-N 1 0 389.297 2.958 20 0 GFADRO O=C(N[C@@]12CCC[C@@H]1[NH2+]CC2)c1ccn(-c2cccc(Br)c2)n1 ZINC000877389971 662875306 /nfs/dbraw/zinc/87/53/06/662875306.db2.gz AZDBYYWYCWEDIN-DOTOQJQBSA-N 1 0 375.270 2.649 20 0 GFADRO Cc1c(C(=O)N[C@@]23CCC[C@H]2[NH2+]CC3)cnn1-c1cccc(Br)c1 ZINC000877390928 662875322 /nfs/dbraw/zinc/87/53/22/662875322.db2.gz HCFMTBVQAOMFKE-SJLPKXTDSA-N 1 0 389.297 2.958 20 0 GFADRO COC(=O)N1CCC[C@@H]([C@H](C)[NH2+]Cc2snc(OC)c2Br)C1 ZINC000877416030 662875696 /nfs/dbraw/zinc/87/56/96/662875696.db2.gz GKTUGRCAOYJTEO-VHSXEESVSA-N 1 0 392.319 2.871 20 0 GFADRO C[C@@H](NC(=O)c1ccc(Br)s1)C(=O)N(C)CCCCCC[NH3+] ZINC000877441727 662876069 /nfs/dbraw/zinc/87/60/69/662876069.db2.gz PYSMLVCAMIGZFM-LLVKDONJSA-N 1 0 390.347 2.606 20 0 GFADRO Cn1ncc(C(=O)N2CCC[C@@H](C[C@@H]([NH3+])C3CCCC3)C2)c1Br ZINC000877447056 662876166 /nfs/dbraw/zinc/87/61/66/662876166.db2.gz XFSRUMXMICBFAQ-SWLSCSKDSA-N 1 0 383.334 2.942 20 0 GFADRO CC(C)([NH2+]Cc1ccc(I)s1)C(=O)N1CCCC1 ZINC000877493003 662877159 /nfs/dbraw/zinc/87/71/59/662877159.db2.gz AQWDIIPPUIAIKV-UHFFFAOYSA-N 1 0 378.279 2.843 20 0 GFADRO Cc1cc(C[NH2+]CC2CCS(=O)(=O)CC2)ccc1I ZINC000877496012 662877204 /nfs/dbraw/zinc/87/72/04/662877204.db2.gz LBCFGCLTTZPBNK-UHFFFAOYSA-N 1 0 393.290 2.514 20 0 GFADRO Cc1sc(C[N@@H+]2CCC[C@@H]2C[C@]2(C)NC(=O)NC2=O)cc1Br ZINC000877519741 662877977 /nfs/dbraw/zinc/87/79/77/662877977.db2.gz YWQIORVZZBTGSJ-BMIGLBTASA-N 1 0 386.315 2.772 20 0 GFADRO C[C@@H]([NH2+]Cc1cnn2cc(Br)cnc12)[C@H](C)NC(=O)OC(C)(C)C ZINC000877561234 662878929 /nfs/dbraw/zinc/87/89/29/662878929.db2.gz JZLMYFVCLVAMPD-MNOVXSKESA-N 1 0 398.305 2.883 20 0 GFADRO O=C(N[C@@H]1CCO[C@H]1C1CC[NH+](CC2CCSCC2)CC1)C(F)(F)F ZINC000877565725 662878970 /nfs/dbraw/zinc/87/89/70/662878970.db2.gz ONSNTMJEEQYRRS-CABCVRRESA-N 1 0 380.476 2.678 20 0 GFADRO CCCN1C[C@H](C[NH2+]Cc2ccc(C(=O)OC)c(Br)c2)CC1=O ZINC000877594103 662879623 /nfs/dbraw/zinc/87/96/23/662879623.db2.gz BNFUBCNLDLFLGW-ZDUSSCGKSA-N 1 0 383.286 2.584 20 0 GFADRO COC(=O)c1ccc(C[NH2+]C[C@H]2CC(=O)N(C(C)(C)C)C2)cc1Br ZINC000877635662 662880492 /nfs/dbraw/zinc/88/04/92/662880492.db2.gz ASQQPCUXRNTLDG-CYBMUJFWSA-N 1 0 397.313 2.972 20 0 GFADRO CCO[P@](C)(=O)CC[C@H](C)[NH2+]C[C@@H]1COCCN1C(=O)OC(C)(C)C ZINC000877655852 662880896 /nfs/dbraw/zinc/88/08/96/662880896.db2.gz MZDNEDKEEKPHNM-AYNSBQOLSA-N 1 0 378.450 2.935 20 0 GFADRO CCO[P@](C)(=O)CC[C@@H](C)[NH2+]C[C@@H]1COCCN1C(=O)OC(C)(C)C ZINC000877655854 662880921 /nfs/dbraw/zinc/88/09/21/662880921.db2.gz MZDNEDKEEKPHNM-XGZNKIABSA-N 1 0 378.450 2.935 20 0 GFADRO COC(=O)[C@@H]1OCC[C@@H]1C[NH2+]Cc1cc(Br)ccc1OC(F)F ZINC000877728516 662882566 /nfs/dbraw/zinc/88/25/66/662882566.db2.gz QQAGVNMCMQCUQO-NOZJJQNGSA-N 1 0 394.212 2.718 20 0 GFADRO C[N@@H+]1CC[C@H]2CN(C(=O)Nc3cccc(I)c3)CC[C@@H]21 ZINC000877940724 662886584 /nfs/dbraw/zinc/88/65/84/662886584.db2.gz VAWDKOPCZOXVQL-FZMZJTMJSA-N 1 0 385.249 2.849 20 0 GFADRO C[NH+]1CCC(NC(=O)CN2CCC[C@@H]2c2cccc(Br)c2)CC1 ZINC000877976081 662887341 /nfs/dbraw/zinc/88/73/41/662887341.db2.gz LCKDBCPRVHPYJE-QGZVFWFLSA-N 1 0 380.330 2.796 20 0 GFADRO C[N@@H+]1CCN(C(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)CCC1(C)C ZINC000878006028 662887944 /nfs/dbraw/zinc/88/79/44/662887944.db2.gz BKRNRYCVZBRHLO-UHFFFAOYSA-N 1 0 375.441 2.631 20 0 GFADRO OCC1(C[C@H](O)C[NH+]2CCC(n3cc(Br)cn3)CC2)CCCC1 ZINC000878092024 662889711 /nfs/dbraw/zinc/88/97/11/662889711.db2.gz MMMGRWMDDIJERZ-INIZCTEOSA-N 1 0 386.334 2.586 20 0 GFADRO CC[NH+](CC)[C@@H](CNC(=O)Cc1c(Br)cnn1C)c1ccsc1 ZINC000878221315 662891911 /nfs/dbraw/zinc/89/19/11/662891911.db2.gz KNTQJUQKRNYTCC-HNNXBMFYSA-N 1 0 399.358 2.986 20 0 GFADRO CC[C@@H]([NH2+]C[C@H](O)c1cc(Br)no1)c1ccc2c(c1)OCCO2 ZINC000878356921 662894352 /nfs/dbraw/zinc/89/43/52/662894352.db2.gz YASMIKDYZBZHCL-NEPJUHHUSA-N 1 0 383.242 2.983 20 0 GFADRO C[C@H]([NH2+]C[C@@H](O)c1cc(Br)no1)c1ccc(N2CCOC2=O)cc1 ZINC000878358454 662894470 /nfs/dbraw/zinc/89/44/70/662894470.db2.gz PGLXYXCIKVNLOT-GXFFZTMASA-N 1 0 396.241 2.778 20 0 GFADRO C[NH+]1CCC(NC(=O)CN2CCC[C@@H]2c2ccc(Br)s2)CC1 ZINC000878406011 662895654 /nfs/dbraw/zinc/89/56/54/662895654.db2.gz WXPWWNPKKBETKX-CYBMUJFWSA-N 1 0 386.359 2.858 20 0 GFADRO CC[N@@H+]1CC[C@H]1CNC(=O)Nc1cc(OC)ccc1I ZINC000878502888 662897532 /nfs/dbraw/zinc/89/75/32/662897532.db2.gz JLKHGQKZUFPMBD-JTQLQIEISA-N 1 0 389.237 2.516 20 0 GFADRO Cc1noc(C[C@H]([NH2+]C[C@@H](O)c2cc(Br)no2)c2ccccc2)n1 ZINC000878511857 662897971 /nfs/dbraw/zinc/89/79/71/662897971.db2.gz HWQYRZBIRBTLGU-QWHCGFSZSA-N 1 0 393.241 2.736 20 0 GFADRO CCS(=O)(=O)c1ccc([C@H](C)[NH2+]CCCS(=O)(=O)C(C)(C)C)cc1 ZINC000878575633 662899252 /nfs/dbraw/zinc/89/92/52/662899252.db2.gz JGYLKCSTQKARRJ-AWEZNQCLSA-N 1 0 375.556 2.734 20 0 GFADRO OC[C@H]1C=C[C@@H]([N@@H+](Cc2cccs2)C[C@@H](O)c2cc(Br)no2)C1 ZINC000878615888 662900337 /nfs/dbraw/zinc/90/03/37/662900337.db2.gz RCDLRDJBGPIKAR-OUCADQQQSA-N 1 0 399.310 2.971 20 0 GFADRO O[C@H](C[N@@H+]1CCC[C@H](O)[C@H]1CCc1ccccc1)c1cc(Br)no1 ZINC000878764479 662904536 /nfs/dbraw/zinc/90/45/36/662904536.db2.gz HDKKQDUYYBWUTJ-OWCLPIDISA-N 1 0 395.297 2.929 20 0 GFADRO CSC1CC[NH+](CCC(=O)Nc2sc3c(c2C(N)=O)CCCC3)CC1 ZINC000879099097 662916339 /nfs/dbraw/zinc/91/63/39/662916339.db2.gz LVHMNKIPLOKYCM-UHFFFAOYSA-N 1 0 381.567 2.882 20 0 GFADRO Cc1nc(NC(=O)N2CCC[C@H]([NH2+]C3CCOCC3)C2)ccc1Br ZINC000879204348 662920676 /nfs/dbraw/zinc/92/06/76/662920676.db2.gz UDCVHPWJWHRULG-AWEZNQCLSA-N 1 0 397.317 2.917 20 0 GFADRO CCc1cc2c(CC(=O)N[C@H](Cn3ccnc3)C(=O)OC)csc2s1 ZINC000879549348 662928956 /nfs/dbraw/zinc/92/89/56/662928956.db2.gz QSSWAUVVHVPURK-CQSZACIVSA-N 1 0 377.491 2.622 20 0 GFADRO C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879570688 662929716 /nfs/dbraw/zinc/92/97/16/662929716.db2.gz DOUSKAXFZYEFHS-UWWQBHOKSA-N 1 0 394.357 2.822 20 0 GFADRO OC[C@H]1C[N@H+](Cc2c(-c3ccc(Cl)cc3)nc3sccn23)C[C@H]1CO ZINC000879692799 662936285 /nfs/dbraw/zinc/93/62/85/662936285.db2.gz RNHUFEIIAYZXSI-OKILXGFUSA-N 1 0 377.897 2.749 20 0 GFADRO C[NH+](C)C1CC(NC(=O)c2cc(Br)nn2-c2ncccc2Cl)C1 ZINC000879871848 662941061 /nfs/dbraw/zinc/94/10/61/662941061.db2.gz BMKLOALRRIXYAL-UHFFFAOYSA-N 1 0 398.692 2.506 20 0 GFADRO O[C@@H](CN1CCC[C@@H]([NH2+]C2CCOCC2)C1)c1ccc(Br)cc1 ZINC000880201246 662954323 /nfs/dbraw/zinc/95/43/23/662954323.db2.gz IKWBQZSAORWOTN-MSOLQXFVSA-N 1 0 383.330 2.716 20 0 GFADRO O[C@H](COc1ccc(Cl)cc1Cl)C[NH+]1CCC2(CC1)COCCO2 ZINC000880540587 662961770 /nfs/dbraw/zinc/96/17/70/662961770.db2.gz JPEXKZNBLYEXEE-AWEZNQCLSA-N 1 0 376.280 2.615 20 0 GFADRO O=C(CC[N@H+]1C[C@@H](O)CC2(CCOCC2)C1)Nc1cccc(Br)c1 ZINC000880582279 662963251 /nfs/dbraw/zinc/96/32/51/662963251.db2.gz MLYJYILSRAIZMG-INIZCTEOSA-N 1 0 397.313 2.641 20 0 GFADRO O[C@H](COc1ccc(Cl)cc1Br)CN1CCc2ncncc2C1 ZINC000880594823 662963601 /nfs/dbraw/zinc/96/36/01/662963601.db2.gz HHHLZSWFFHHTSC-ZDUSSCGKSA-N 1 0 398.688 2.691 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(C(=O)Nc3c4c(ccc3Br)OCC4)CC[C@H]21 ZINC000880798296 662969946 /nfs/dbraw/zinc/96/99/46/662969946.db2.gz QPHBSAFJDGJIDG-BXUZGUMPSA-N 1 0 380.286 2.942 20 0 GFADRO C[C@@H]1CN(C(=O)Nc2cccc(F)c2Br)CC[N@@H+]1CC(C)(C)O ZINC000881139046 662982731 /nfs/dbraw/zinc/98/27/31/662982731.db2.gz SFOXTIRBDGHDQV-LLVKDONJSA-N 1 0 388.281 2.897 20 0 GFADRO O=C(COc1ccc(Br)cc1)N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000881468270 662995237 /nfs/dbraw/zinc/99/52/37/662995237.db2.gz AKFZFBQMWBNOAM-MRXNPFEDSA-N 1 0 397.313 2.588 20 0 GFADRO O=C(c1cccc(Br)c1F)N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000881477183 662995467 /nfs/dbraw/zinc/99/54/67/662995467.db2.gz UVXBIIIGBGPVIZ-CYBMUJFWSA-N 1 0 385.277 2.961 20 0 GFADRO O=C(Cc1ccc(Br)cc1F)N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000881479436 662995512 /nfs/dbraw/zinc/99/55/12/662995512.db2.gz XQKHASFWERAPOS-MRXNPFEDSA-N 1 0 399.304 2.890 20 0 GFADRO C[NH+](C)[C@@H](CNc1ccc2nnc(Br)n2n1)c1ccc(F)cc1 ZINC000881828928 663005015 /nfs/dbraw/zinc/00/50/15/663005015.db2.gz OLKPMIBCZLIAMZ-LBPRGKRZSA-N 1 0 379.237 2.741 20 0 GFADRO CC(C)[N@H+](C)CC1CCN(S(=O)(=O)N=[S@@](C)(=O)C2CCCCC2)CC1 ZINC000881857165 663006399 /nfs/dbraw/zinc/00/63/99/663006399.db2.gz SLFAPARTUNVENW-DEOSSOPVSA-N 1 0 393.619 2.714 20 0 GFADRO CC[N@@H+]1CC[C@@H]1CNC(=O)c1cnc2c(Cl)cc(Br)cc2c1O ZINC000882493236 663028959 /nfs/dbraw/zinc/02/89/59/663028959.db2.gz ZNXYCURBXXEDHT-SNVBAGLBSA-N 1 0 398.688 2.768 20 0 GFADRO COC[C@H]1C[C@@H]([NH2+]Cc2cc(I)c(OC)c(OC)c2)C1 ZINC000883317835 663053399 /nfs/dbraw/zinc/05/33/99/663053399.db2.gz YCYRHNGURFTMHD-TXEJJXNPSA-N 1 0 391.249 2.823 20 0 GFADRO CN(CC[NH2+][C@H]1CCSc2ccc(Br)cc21)CCOCCO ZINC000883349315 663053738 /nfs/dbraw/zinc/05/37/38/663053738.db2.gz XYYGUBYXKFXZSG-HNNXBMFYSA-N 1 0 389.359 2.516 20 0 GFADRO Cc1nc(S(=O)(=O)N(CC[NH3+])CC(F)(F)F)c(-c2ccccc2)s1 ZINC000883471446 663055656 /nfs/dbraw/zinc/05/56/56/663055656.db2.gz LQTNQKMTRZXFMU-UHFFFAOYSA-N 1 0 379.429 2.630 20 0 GFADRO C[NH2+]C[C@H]1CCCCN1C(=O)Nc1ccnn1-c1ccc(Br)cn1 ZINC000883561242 663057119 /nfs/dbraw/zinc/05/71/19/663057119.db2.gz CWPYJGVIIAVAHL-CYBMUJFWSA-N 1 0 393.289 2.636 20 0 GFADRO CCC1([NH3+])CCN(C(=O)Nc2cccc(C(=O)NC)c2Br)CC1 ZINC000883564480 663057206 /nfs/dbraw/zinc/05/72/06/663057206.db2.gz SNGHBLVMKDVYDI-UHFFFAOYSA-N 1 0 383.290 2.544 20 0 GFADRO CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)[C@@H]([NH3+])CCOC ZINC000884053074 663064257 /nfs/dbraw/zinc/06/42/57/663064257.db2.gz KYGZAXGKRDCTAT-ZDUSSCGKSA-N 1 0 376.284 2.534 20 0 GFADRO COCC[C@H]([NH3+])C(=O)Nc1ncc(Cc2cccc(Br)c2)s1 ZINC000884105069 663065202 /nfs/dbraw/zinc/06/52/02/663065202.db2.gz CKAATUYKARVHLA-ZDUSSCGKSA-N 1 0 384.299 2.799 20 0 GFADRO CC1(C)C[NH2+]C[C@H]1C(=O)NC[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000884200553 663066874 /nfs/dbraw/zinc/06/68/74/663066874.db2.gz FJPPPCFLIXXESQ-BBRMVZONSA-N 1 0 380.330 2.637 20 0 GFADRO CC1(C)C[NH2+]C[C@H]1C(=O)NC[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000884197875 663066893 /nfs/dbraw/zinc/06/68/93/663066893.db2.gz HKSAPQLJHYSYAS-BBRMVZONSA-N 1 0 380.330 2.637 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)COCCc3ccc(Br)cc3)C[C@@H]21 ZINC000884248526 663067644 /nfs/dbraw/zinc/06/76/44/663067644.db2.gz TVPCYGBHJCDBAB-HYVNUMGLSA-N 1 0 381.314 2.594 20 0 GFADRO Cn1ncc(Br)c1CC(=O)N1CC[NH2+]C[C@H]1c1cccc(Cl)c1 ZINC000884279503 663068034 /nfs/dbraw/zinc/06/80/34/663068034.db2.gz METQGFLUEQQQQP-HNNXBMFYSA-N 1 0 397.704 2.552 20 0 GFADRO O=C(COCCc1ccc(Br)cc1)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000884301248 663068504 /nfs/dbraw/zinc/06/85/04/663068504.db2.gz RNMDLKYMMPGEGS-IRXDYDNUSA-N 1 0 395.341 2.856 20 0 GFADRO [NH3+][C@H](C(=O)NCc1cccnc1N1CCCC1)c1ccc(Br)cc1 ZINC000884399466 663070172 /nfs/dbraw/zinc/07/01/72/663070172.db2.gz FRXREBSJFNATLY-INIZCTEOSA-N 1 0 389.297 2.761 20 0 GFADRO COc1cc(C(F)(F)F)cc(S(=O)(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000884957625 663079656 /nfs/dbraw/zinc/07/96/56/663079656.db2.gz UEHZASFIFIDZAC-QWHCGFSZSA-N 1 0 378.416 2.619 20 0 GFADRO O=C(Cc1csc(-c2cccs2)n1)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000885860442 663099418 /nfs/dbraw/zinc/09/94/18/663099418.db2.gz JGCQQXPBYIBUFZ-HNNXBMFYSA-N 1 0 377.535 2.784 20 0 GFADRO O=C(NC[C@@H]1CC[N@@H+]1C1CCOCC1)c1c[nH]c2cccc(Br)c12 ZINC000885876049 663100035 /nfs/dbraw/zinc/10/00/35/663100035.db2.gz NKDAKAMAWWOMQX-ZDUSSCGKSA-N 1 0 392.297 2.914 20 0 GFADRO COc1ccc(Br)cc1C[C@@H](CO)C[NH2+]Cc1[nH]nc(C)c1C ZINC000886136906 663103739 /nfs/dbraw/zinc/10/37/39/663103739.db2.gz YUGVTKQAYJJYEQ-CYBMUJFWSA-N 1 0 382.302 2.738 20 0 GFADRO O=C1NC(=O)[C@@]2(CCC[N@@H+](Cc3cc(Br)c4ccccc4c3)C2)N1 ZINC000886178624 663104345 /nfs/dbraw/zinc/10/43/45/663104345.db2.gz AMKYFJYSCILWKT-SFHVURJKSA-N 1 0 388.265 2.776 20 0 GFADRO OC[C@H](C[C@H]1CCCO1)[NH2+]Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000886228623 663105280 /nfs/dbraw/zinc/10/52/80/663105280.db2.gz CDGJLRSUAQLNLS-DOTOQJQBSA-N 1 0 380.286 2.654 20 0 GFADRO O[C@@H]1CC[C@H]([NH2+]Cc2ccc(Br)c(Br)c2)CC[C@@H]1O ZINC000886259982 663106347 /nfs/dbraw/zinc/10/63/47/663106347.db2.gz MLZIBSVBRZZHJB-ZOZIMZAQSA-N 1 0 393.119 2.966 20 0 GFADRO CC(=O)N1CCC([NH2+]Cc2ccn(-c3ccc(Br)cc3)n2)CC1 ZINC000886310938 663108023 /nfs/dbraw/zinc/10/80/23/663108023.db2.gz ZALIFOWKAQRCAS-UHFFFAOYSA-N 1 0 377.286 2.735 20 0 GFADRO OCCOCC1(O)CC[NH+](CC/C=C\c2ccc(Br)cc2)CC1 ZINC000886741011 663116742 /nfs/dbraw/zinc/11/67/42/663116742.db2.gz RGBNYXIIDWEJFO-IWQZZHSRSA-N 1 0 384.314 2.688 20 0 GFADRO COc1ccc(C(C)(C)C)cc1S(=O)(=O)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000886897591 663124047 /nfs/dbraw/zinc/12/40/47/663124047.db2.gz BKLOEMWFKNSSMK-ZDUSSCGKSA-N 1 0 376.469 2.516 20 0 GFADRO COCCOc1c(Cl)cccc1NC(=O)NC[C@H]1C[NH2+]CCC1(F)F ZINC000886932600 663125085 /nfs/dbraw/zinc/12/50/85/663125085.db2.gz HESQOAMNUVUZQZ-LLVKDONJSA-N 1 0 377.819 2.732 20 0 GFADRO O=C(NC[C@H]1C[NH2+]CCC1(F)F)Nc1ccccc1I ZINC000886925254 663125091 /nfs/dbraw/zinc/12/50/91/663125091.db2.gz NRPZUCJKGRPTOT-SECBINFHSA-N 1 0 395.191 2.658 20 0 GFADRO O=C(NC[C@@H]1C[NH2+]CCC1(F)F)Nc1ccc(I)cc1 ZINC000886926236 663125124 /nfs/dbraw/zinc/12/51/24/663125124.db2.gz FUOOVISLEKSFIU-VIFPVBQESA-N 1 0 395.191 2.658 20 0 GFADRO [NH3+]C[C@H]1CCCN(C(=O)C(=O)Nc2cc(Br)c3ccccc3c2)C1 ZINC000886981995 663126964 /nfs/dbraw/zinc/12/69/64/663126964.db2.gz BBCDXASUGBUORN-GFCCVEGCSA-N 1 0 390.281 2.738 20 0 GFADRO [NH3+][C@H]1CCC[C@H](NC(=O)C(=O)Nc2cc(Br)c3ccccc3c2)C1 ZINC000886983538 663127138 /nfs/dbraw/zinc/12/71/38/663127138.db2.gz AWNNAXGDNBGBJN-STQMWFEESA-N 1 0 390.281 2.927 20 0 GFADRO CCN(C(=O)C(=O)Nc1cc(Cl)cc(C)c1Br)[C@H]1CC[NH2+]C1 ZINC000887007036 663128468 /nfs/dbraw/zinc/12/84/68/663128468.db2.gz BONRUOWBKBSBTB-NSHDSACASA-N 1 0 388.693 2.560 20 0 GFADRO c1sc(C[C@H]2CCCO2)nc1-c1cn(CCC[NH+]2CCSCC2)nn1 ZINC000887527588 663150991 /nfs/dbraw/zinc/15/09/91/663150991.db2.gz OHLBFJLUYKJNMM-CQSZACIVSA-N 1 0 379.555 2.562 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)c1nn2c(c1Br)CCC2)c1ccccc1 ZINC000887650936 663156454 /nfs/dbraw/zinc/15/64/54/663156454.db2.gz VXSIYZMXZYGXQC-CQSZACIVSA-N 1 0 377.286 2.625 20 0 GFADRO COc1ccc(I)c(NC(=O)NC[C@H](C)C[NH+](C)C)c1 ZINC000887707125 663158715 /nfs/dbraw/zinc/15/87/15/663158715.db2.gz ZAHQSIXEWOHGKQ-JTQLQIEISA-N 1 0 391.253 2.619 20 0 GFADRO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@H]1N2C(=O)c1cn(C)nc1Br ZINC000887857740 663165690 /nfs/dbraw/zinc/16/56/90/663165690.db2.gz PEVDVKJQPLNIAH-XJKSGUPXSA-N 1 0 389.297 2.939 20 0 GFADRO C[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3[C@@H]4c5cc(Br)ccc5C[C@H]34)C[C@]2(C)C1 ZINC000887922076 663169897 /nfs/dbraw/zinc/16/98/97/663169897.db2.gz WXHARCSWHHFHJF-BQXVCNAFSA-N 1 0 375.310 2.745 20 0 GFADRO C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCOc4ccc(Br)cc43)C[C@]2(C)C1 ZINC000887924339 663170295 /nfs/dbraw/zinc/17/02/95/663170295.db2.gz HJFAESPCUUVVHJ-DFHBCGBQSA-N 1 0 379.298 2.725 20 0 GFADRO O=C(NC[C@H]1CCC[N@H+](Cc2cccs2)C1)N[C@@H](CCO)C(F)(F)F ZINC000888010432 663174917 /nfs/dbraw/zinc/17/49/17/663174917.db2.gz ADTISILNFGQITR-OCCSQVGLSA-N 1 0 379.448 2.573 20 0 GFADRO CC(C)S(=O)(=O)c1c(Cl)cccc1NC(=O)NC[C@@H](C)C[NH+](C)C ZINC000888127746 663179286 /nfs/dbraw/zinc/17/92/86/663179286.db2.gz IOBUSCSYWCXVRK-GFCCVEGCSA-N 1 0 375.922 2.841 20 0 GFADRO CN(C)CC[N@H+](C)CCCN(C)C(=O)Nc1nc2ccc(Cl)nc2s1 ZINC000888791434 663216567 /nfs/dbraw/zinc/21/65/67/663216567.db2.gz MZKYYRVYKZSPOY-UHFFFAOYSA-N 1 0 384.937 2.692 20 0 GFADRO COC(=O)[C@@](C)(NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)c1cccc(Br)c1 ZINC000888863089 663220749 /nfs/dbraw/zinc/22/07/49/663220749.db2.gz ZUSZOOFKOBDYNH-LXIYXOSZSA-N 1 0 397.313 2.684 20 0 GFADRO CSc1ccc([C@@H](CNC(=O)N[C@H](CCO)C(F)(F)F)[NH+](C)C)cc1 ZINC000889110432 663232663 /nfs/dbraw/zinc/23/26/63/663232663.db2.gz VUYUEMXETIQEJU-ZIAGYGMSSA-N 1 0 379.448 2.624 20 0 GFADRO C[NH+]1CCC2(CCN2C(=O)c2cc3ccc(Br)cc3c(=O)o2)CC1 ZINC000889217675 663237676 /nfs/dbraw/zinc/23/76/76/663237676.db2.gz HJGPAXNFJXBFFI-UHFFFAOYSA-N 1 0 391.265 2.866 20 0 GFADRO C[NH+]1CCC2(CCN2C(=O)[C@]2(C)CC2(Br)Br)CC1 ZINC000889219935 663237881 /nfs/dbraw/zinc/23/78/81/663237881.db2.gz GFLKGXNCXHPOFA-NSHDSACASA-N 1 0 380.124 2.579 20 0 GFADRO CN(C(=O)c1cn(C)nc1Br)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000889523249 663248028 /nfs/dbraw/zinc/24/80/28/663248028.db2.gz GNTOBPOBOSGSIE-CQSZACIVSA-N 1 0 377.286 2.529 20 0 GFADRO Cc1c(Br)cc(F)cc1C(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000889739720 663261615 /nfs/dbraw/zinc/26/16/15/663261615.db2.gz NMNFVLDXQRRQDZ-HZPDHXFCSA-N 1 0 385.277 2.568 20 0 GFADRO Cc1ccc(CCC(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)c(Br)c1 ZINC000889754870 663263166 /nfs/dbraw/zinc/26/31/66/663263166.db2.gz CCRYMXONTRMVAQ-QZTJIDSGSA-N 1 0 395.341 2.748 20 0 GFADRO Cc1c(Br)ccc(C(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)c1F ZINC000889755417 663263987 /nfs/dbraw/zinc/26/39/87/663263987.db2.gz IBOPIZJKSANHTM-GJZGRUSLSA-N 1 0 385.277 2.568 20 0 GFADRO O=C(c1c[nH]c2cccc(Br)c12)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000889764916 663264883 /nfs/dbraw/zinc/26/48/83/663264883.db2.gz UOGDCVJWCKEUSC-JKSUJKDBSA-N 1 0 392.297 2.602 20 0 GFADRO O=C(c1[nH]c2ccccc2c1Br)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000889773733 663265765 /nfs/dbraw/zinc/26/57/65/663265765.db2.gz CQDBVGYXOZVNSW-CABCVRRESA-N 1 0 392.297 2.602 20 0 GFADRO O=C(CCc1ccc(Br)cc1F)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000889776359 663265993 /nfs/dbraw/zinc/26/59/93/663265993.db2.gz ZSCDKJNFFGRYSU-IAGOWNOFSA-N 1 0 399.304 2.578 20 0 GFADRO O=C(c1cc(Br)cc2c1OCCO2)N1CCC([NH2+]C2CCC2)CC1 ZINC000889821683 663270318 /nfs/dbraw/zinc/27/03/18/663270318.db2.gz ZJVRYRSOYWDGQV-UHFFFAOYSA-N 1 0 395.297 2.967 20 0 GFADRO O=C(Nc1cccc(F)c1Br)C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000890245178 663292161 /nfs/dbraw/zinc/29/21/61/663292161.db2.gz UWQSKHMBKUMMBV-UHFFFAOYSA-N 1 0 398.276 2.660 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)NCc2ccc(F)cc2Br)C[C@H]1C(F)(F)F ZINC000891412743 663338836 /nfs/dbraw/zinc/33/88/36/663338836.db2.gz QKTXZJHYDSXAPY-MWLCHTKSSA-N 1 0 398.198 2.867 20 0 GFADRO COc1ccc(Br)cc1CNC(=O)NC[C@H]1C[NH2+]CCC1(F)F ZINC000891458720 663339914 /nfs/dbraw/zinc/33/99/14/663339914.db2.gz CJNUKSBWEAOKPW-LLVKDONJSA-N 1 0 392.244 2.502 20 0 GFADRO C[C@H]1C[C@H]([NH3+])CN1C(=O)NCC1(c2ccc(Br)cc2)CCOCC1 ZINC000891478029 663340708 /nfs/dbraw/zinc/34/07/08/663340708.db2.gz HHBLPVYIMDYZTI-BBRMVZONSA-N 1 0 396.329 2.628 20 0 GFADRO C[C@@H](CNC(=O)NCc1cc(N)cc[nH+]1)Oc1ccccc1Br ZINC000891647348 663346223 /nfs/dbraw/zinc/34/62/23/663346223.db2.gz TWRHQRXIPAIYMM-NSHDSACASA-N 1 0 379.258 2.693 20 0 GFADRO C[NH+](C)C1CCN(c2ncnc3c2c(Br)nn3C(C)(C)C)CC1 ZINC000891779988 663350075 /nfs/dbraw/zinc/35/00/75/663350075.db2.gz PJMNFYKUADMAAG-UHFFFAOYSA-N 1 0 381.322 2.874 20 0 GFADRO O=C(NC[C@H]1C[NH2+]CCC1(F)F)N[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000891860669 663353117 /nfs/dbraw/zinc/35/31/17/663353117.db2.gz SEKQYRVWQDZKMH-KWCYVHTRSA-N 1 0 388.256 2.849 20 0 GFADRO Cc1cc(CNC(=O)N2CCC[C@H]3[NH2+]CC[C@@H]32)ccc1I ZINC000891874434 663353807 /nfs/dbraw/zinc/35/38/07/663353807.db2.gz KKWTYFGOAFGXHC-CABCVRRESA-N 1 0 399.276 2.636 20 0 GFADRO O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)N[C@@H]1COc2cc(F)c(Br)cc21 ZINC000891888979 663354444 /nfs/dbraw/zinc/35/44/44/663354444.db2.gz XGGGPVCBPTYRHN-JNIYBQFBSA-N 1 0 398.276 2.852 20 0 GFADRO CCOC(=O)c1ncc(Br)c(N2CCC(C[N@H+](C)C(C)C)CC2)n1 ZINC000891913578 663355335 /nfs/dbraw/zinc/35/53/35/663355335.db2.gz ZEEUNLGKZDHAEE-UHFFFAOYSA-N 1 0 399.333 2.972 20 0 GFADRO COc1cc(CCNC(=O)N2CCc3sc(C[NH3+])nc3C2)ccc1Cl ZINC000891921706 663355514 /nfs/dbraw/zinc/35/55/14/663355514.db2.gz SNJDGFKCQXXVPD-UHFFFAOYSA-N 1 0 380.901 2.574 20 0 GFADRO CCC1([NH+]2CCC2)CCN(C(=O)C(=O)Nc2cccc(Br)c2)CC1 ZINC000891963025 663356430 /nfs/dbraw/zinc/35/64/30/663356430.db2.gz XHSLTFWPWPYJQA-UHFFFAOYSA-N 1 0 394.313 2.865 20 0 GFADRO COC[C@H](NC(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1)c1cccc(Br)c1 ZINC000891981511 663357308 /nfs/dbraw/zinc/35/73/08/663357308.db2.gz LMQGKSAZVWMLMO-BJJXKVORSA-N 1 0 384.318 2.824 20 0 GFADRO COCCOC[C@@H]1CC[N@H+](Cc2ccc(Br)cc2NC(C)=O)C1 ZINC000892133189 663362577 /nfs/dbraw/zinc/36/25/77/663362577.db2.gz KMBNUDKNTCJMBY-CQSZACIVSA-N 1 0 385.302 2.892 20 0 GFADRO O=C(N[C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000892192242 663365464 /nfs/dbraw/zinc/36/54/64/663365464.db2.gz XHQQSFRLGBXILU-VTERKQRTSA-N 1 0 390.325 2.775 20 0 GFADRO CC(=O)Nc1cc(Br)ccc1CN1CCC[C@H](Cn2ccnn2)C1 ZINC000892236838 663366674 /nfs/dbraw/zinc/36/66/74/663366674.db2.gz GIHWLFZDAHXUPZ-AWEZNQCLSA-N 1 0 392.301 2.911 20 0 GFADRO C[C@H]([NH3+])C1CCN(C(=O)N[C@@H]2[C@H]3Cc4c(cccc4Br)[C@@H]23)CC1 ZINC000892322183 663369110 /nfs/dbraw/zinc/36/91/10/663369110.db2.gz INIZHJIDWINRNP-JWSRLSBWSA-N 1 0 378.314 2.856 20 0 GFADRO O=C(NCc1c(Cl)cccc1OC(F)F)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000892545035 663376940 /nfs/dbraw/zinc/37/69/40/663376940.db2.gz PZIAVSXFRGUHSV-VIFPVBQESA-N 1 0 383.773 2.985 20 0 GFADRO C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)NC[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000892559599 663377213 /nfs/dbraw/zinc/37/72/13/663377213.db2.gz MAVZKOFEEWJFDT-CPUCHLNUSA-N 1 0 395.345 2.575 20 0 GFADRO CS(=O)(=O)Nc1ccc(C[NH2+]Cc2cnc(CC(F)(F)F)s2)cc1 ZINC000892599334 663378360 /nfs/dbraw/zinc/37/83/60/663378360.db2.gz JPCXKPQHVDWRTA-UHFFFAOYSA-N 1 0 379.429 2.909 20 0 GFADRO CCn1cc(C[NH2+]CC2(c3cccc(Br)c3)CCOCC2)nn1 ZINC000892630099 663379382 /nfs/dbraw/zinc/37/93/82/663379382.db2.gz CJLCGZRFMPCERE-UHFFFAOYSA-N 1 0 379.302 2.899 20 0 GFADRO CCS(=O)(=O)NCCC[NH2+]Cc1sccc1NC(=O)OC(C)(C)C ZINC000892759754 663383832 /nfs/dbraw/zinc/38/38/32/663383832.db2.gz JQGHZURYGPBQNS-UHFFFAOYSA-N 1 0 377.532 2.514 20 0 GFADRO Cc1ncc(I)c(N2CC[C@H](C[N@H+](C)CC3CC3)C2)n1 ZINC000892763124 663383927 /nfs/dbraw/zinc/38/39/27/663383927.db2.gz JKFBTENIQBNVRE-CYBMUJFWSA-N 1 0 386.281 2.558 20 0 GFADRO C[C@]1(NC(=O)[C@@H]2[C@@H]3Cc4cc(Br)ccc4[C@@H]32)C[NH+]2CCC1CC2 ZINC000892764680 663384040 /nfs/dbraw/zinc/38/40/40/663384040.db2.gz WEJGVUGIXVZBGK-NTDBWNAOSA-N 1 0 375.310 2.935 20 0 GFADRO COc1cc(C(=O)N[C@@]2(C)C[NH+]3CCC2CC3)cc(OC)c1Br ZINC000892797651 663385072 /nfs/dbraw/zinc/38/50/72/663385072.db2.gz QRQDQQIKCHDAPA-KRWDZBQOSA-N 1 0 383.286 2.680 20 0 GFADRO C[C@@H]([NH2+]Cc1ncc(Br)cc1O)c1ccc2c(c1)CC(=O)N2C ZINC000892871047 663387595 /nfs/dbraw/zinc/38/75/95/663387595.db2.gz JLKRHBZZQBTPFR-SNVBAGLBSA-N 1 0 376.254 2.919 20 0 GFADRO C[C@H](C[NH2+][C@H](C)[C@@H]1CCS(=O)(=O)C1)Oc1ccc(Br)cc1 ZINC000893076734 663395934 /nfs/dbraw/zinc/39/59/34/663395934.db2.gz FKCTXMYQHLMEHJ-JHJVBQTASA-N 1 0 376.316 2.629 20 0 GFADRO CC(=O)Nc1cc(Br)ccc1C[NH2+][C@@H]1CCO[C@@]2(CCOC2)C1 ZINC000893285829 663405407 /nfs/dbraw/zinc/40/54/07/663405407.db2.gz PJQTWJLXITUJAE-WBVHZDCISA-N 1 0 383.286 2.835 20 0 GFADRO CCS(=O)(=O)c1ccc(C[NH2+]Cc2ncc(Br)cc2O)cc1 ZINC000893318582 663406931 /nfs/dbraw/zinc/40/69/31/663406931.db2.gz UUNNGPDQHQBKHO-UHFFFAOYSA-N 1 0 385.283 2.633 20 0 GFADRO C[C@H]1C[N@H+](CCCOC(=O)Cc2csc(CCC(F)(F)F)n2)CCO1 ZINC000893388379 663409204 /nfs/dbraw/zinc/40/92/04/663409204.db2.gz ZTFOEPDVBFAZKT-LBPRGKRZSA-N 1 0 380.432 2.835 20 0 GFADRO CCOC(=O)c1ncc(Br)c(NCCCCC[NH+]2CCCC2)n1 ZINC000893983741 663435322 /nfs/dbraw/zinc/43/53/22/663435322.db2.gz QIBDPBILVUVMCH-UHFFFAOYSA-N 1 0 385.306 2.516 20 0 GFADRO O=C1[C@@H]([NH2+]Cc2ncc(Br)cc2O)CCN1Cc1ccc(F)cc1 ZINC000893998872 663436399 /nfs/dbraw/zinc/43/63/99/663436399.db2.gz BYFWKZWVGIHEGA-AWEZNQCLSA-N 1 0 394.244 2.580 20 0 GFADRO CC[NH+](CC)[C@@H](CNCc1nc(Br)nn1C)Cc1ccccc1 ZINC000894171988 663446669 /nfs/dbraw/zinc/44/66/69/663446669.db2.gz PABZIUWTDYTSGN-OAHLLOKOSA-N 1 0 380.334 2.620 20 0 GFADRO O[C@H](C[NH2+]Cc1sc(N2CCOCC2)nc1Cl)c1c(F)cccc1F ZINC000894289173 663452664 /nfs/dbraw/zinc/45/26/64/663452664.db2.gz JBIFNLQFLNSZLJ-GFCCVEGCSA-N 1 0 389.855 2.735 20 0 GFADRO Cc1ccnc(N)c1C[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000894347187 663456228 /nfs/dbraw/zinc/45/62/28/663456228.db2.gz ZMSGMLFIBZUBHA-UHFFFAOYSA-N 1 0 391.313 2.861 20 0 GFADRO C[C@H](C[C@H](O)c1cccs1)[NH2+]Cc1c(I)cnn1C ZINC000894369899 663458708 /nfs/dbraw/zinc/45/87/08/663458708.db2.gz CNJROHXUUJRVOG-SKDRFNHKSA-N 1 0 391.278 2.688 20 0 GFADRO CC[N@H+](CCNC(=O)N1CC[C@@H](Cc2nccs2)C1)CCC(F)(F)F ZINC000894430540 663461290 /nfs/dbraw/zinc/46/12/90/663461290.db2.gz YVWDVZMIJPLYOY-ZDUSSCGKSA-N 1 0 378.464 2.991 20 0 GFADRO CC1([C@@H]2CCC[N@H+](Cc3sc(N4CCOCC4)nc3Cl)C2)OCCO1 ZINC000894450363 663462364 /nfs/dbraw/zinc/46/23/64/663462364.db2.gz ZMPVWQAAXBJDPX-CYBMUJFWSA-N 1 0 387.933 2.608 20 0 GFADRO Cc1cccc(C[NH+]2CCC(C(=O)N3CCN(C)CC3)CC2)c1Br ZINC000894451815 663462438 /nfs/dbraw/zinc/46/24/38/663462438.db2.gz UVDLAOVWLHYDCK-UHFFFAOYSA-N 1 0 394.357 2.744 20 0 GFADRO Cc1csc([C@@H](C)C[NH2+]Cc2c(I)cnn2C)n1 ZINC000894456753 663463007 /nfs/dbraw/zinc/46/30/07/663463007.db2.gz XJKJMQUAJIMHBY-QMMMGPOBSA-N 1 0 376.267 2.683 20 0 GFADRO C[C@@H](NCc1c(I)cnn1C)[C@@H](c1ccccc1)[NH+](C)C ZINC000894480442 663464104 /nfs/dbraw/zinc/46/41/04/663464104.db2.gz OBIJOSHJIYNBQF-WBMJQRKESA-N 1 0 398.292 2.806 20 0 GFADRO C[C@H]([NH2+]CCc1c[nH]c2cccc(Br)c12)[C@@H]1CCS(=O)(=O)C1 ZINC000894534168 663467650 /nfs/dbraw/zinc/46/76/50/663467650.db2.gz LOCTWNCNVCDQOT-WCQYABFASA-N 1 0 385.327 2.886 20 0 GFADRO CCOC(=O)C1(C[NH2+]Cc2sc(N3CCOCC3)nc2Cl)CCCC1 ZINC000894552678 663468372 /nfs/dbraw/zinc/46/83/72/663468372.db2.gz FJKABIDJUOYWCB-UHFFFAOYSA-N 1 0 387.933 2.846 20 0 GFADRO CCOC(=O)c1ncc(C[NH2+]C[C@@H](O)c2ccccc2Br)s1 ZINC000894796825 663482090 /nfs/dbraw/zinc/48/20/90/663482090.db2.gz FDYTWZHKLFFXAW-CYBMUJFWSA-N 1 0 385.283 2.906 20 0 GFADRO CCOC(=O)c1nc(N2C[C@@]3(C)C[NH+](C)C[C@]3(C)C2)ccc1Br ZINC000894803399 663482280 /nfs/dbraw/zinc/48/22/80/663482280.db2.gz XTRFBYQDTHVYAC-IAGOWNOFSA-N 1 0 382.302 2.799 20 0 GFADRO CSc1ccc([C@@H](CNCc2nc(Br)nn2C)[NH+](C)C)cc1 ZINC000894866000 663485615 /nfs/dbraw/zinc/48/56/15/663485615.db2.gz CIIKARYURJMTBG-CYBMUJFWSA-N 1 0 384.347 2.692 20 0 GFADRO CN(C)C(=O)C1([NH2+]Cc2sc(N3CCOCC3)nc2Cl)CCCCC1 ZINC000894887370 663486732 /nfs/dbraw/zinc/48/67/32/663486732.db2.gz DXTDGOHDXVIJOV-UHFFFAOYSA-N 1 0 386.949 2.514 20 0 GFADRO CCOC(=O)c1ncc(Br)c(NC2CCC(C)([NH+](C)C)CC2)n1 ZINC000895002529 663494300 /nfs/dbraw/zinc/49/43/00/663494300.db2.gz IDVYNNLJCKZKQM-UHFFFAOYSA-N 1 0 385.306 2.513 20 0 GFADRO Cc1[nH+]ccc(N2CCC[C@@H](C(=O)N[C@H]3CCC[C@H](O)C3)C2)c1Br ZINC000895065424 663497482 /nfs/dbraw/zinc/49/74/82/663497482.db2.gz JPOPKXCDTHOSQL-ILXRZTDVSA-N 1 0 396.329 2.789 20 0 GFADRO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)NCc1ncc(Br)cn1 ZINC000895094282 663499432 /nfs/dbraw/zinc/49/94/32/663499432.db2.gz BSSMLISXNPJWLH-AWEZNQCLSA-N 1 0 384.322 2.549 20 0 GFADRO C[N@@H+]1CCC[C@H](CCNC(=O)N[C@](C)(CO)c2cccc(Br)c2)C1 ZINC000895321372 663508098 /nfs/dbraw/zinc/50/80/98/663508098.db2.gz YYNAXXPXMKLLMZ-RDTXWAMCSA-N 1 0 398.345 2.688 20 0 GFADRO C[C@H]([NH2+][C@H](CO)c1cccc(Cl)c1Cl)C1CCN(S(C)(=O)=O)CC1 ZINC000895448925 663514820 /nfs/dbraw/zinc/51/48/20/663514820.db2.gz MHBFBIIORFEEBF-XHDPSFHLSA-N 1 0 395.352 2.677 20 0 GFADRO CC(C)(C)OC(=O)NC1(C[NH2+]C[C@@H]2C[C@]2(C)Br)CCOCC1 ZINC000895591248 663520123 /nfs/dbraw/zinc/52/01/23/663520123.db2.gz OTUFNXDBCGISNN-WFASDCNBSA-N 1 0 377.323 2.823 20 0 GFADRO CC(C)(C)OC(=O)N(CCO)C1CC[NH+](C[C@H]2C[C@]2(C)Br)CC1 ZINC000895744464 663526253 /nfs/dbraw/zinc/52/62/53/663526253.db2.gz QWKBJFZGBKFUIB-DYVFJYSZSA-N 1 0 391.350 2.854 20 0 GFADRO C[C@H](NC(=O)[C@@]12CC[N@H+](C1)CCC2)c1cc2c(cc1Br)OCCO2 ZINC000895799733 663527850 /nfs/dbraw/zinc/52/78/50/663527850.db2.gz NGZHDBJLNXYRGO-SGTLLEGYSA-N 1 0 395.297 2.883 20 0 GFADRO Cn1cc(C(=O)N2CCC[N@H+](CC3CCCCC3)CC2)c(Br)n1 ZINC000895809624 663528259 /nfs/dbraw/zinc/52/82/59/663528259.db2.gz NMCBZXFORWKCMM-UHFFFAOYSA-N 1 0 383.334 2.911 20 0 GFADRO CO[C@@H]1CN(C(=O)N[C@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)CCO1 ZINC000896017339 663537741 /nfs/dbraw/zinc/53/77/41/663537741.db2.gz WWUBGMXRIQTOEW-CABCVRRESA-N 1 0 376.284 2.610 20 0 GFADRO Cc1cc(C)c(CC(=O)N[C@@H](C)CN2CC[NH+](C)CC2)c(C)c1Br ZINC000896222367 663545586 /nfs/dbraw/zinc/54/55/86/663545586.db2.gz ZIWQKTAQZKIOJC-HNNXBMFYSA-N 1 0 396.373 2.669 20 0 GFADRO Cc1[nH]nc(I)c1C(=O)Nc1ccc(C)cc1C[NH+](C)C ZINC000896354588 663552510 /nfs/dbraw/zinc/55/25/10/663552510.db2.gz XDUDIPJRTDAHPU-UHFFFAOYSA-N 1 0 398.248 2.945 20 0 GFADRO Brc1ccc(-n2cc(C[N@@H+]3CC[C@H](C4OCCO4)C3)cn2)cc1 ZINC000896383775 663554368 /nfs/dbraw/zinc/55/43/68/663554368.db2.gz DWHSDNRQGHVMNR-AWEZNQCLSA-N 1 0 378.270 2.830 20 0 GFADRO C[C@@H](NC(=O)c1cccc2c(Br)cccc12)[C@H]1C[N@H+](C)CCN1C ZINC000896526418 663560504 /nfs/dbraw/zinc/56/05/04/663560504.db2.gz HWVFTXNJSGBRNI-FZKQIMNGSA-N 1 0 390.325 2.966 20 0 GFADRO Cc1cc(C)c(C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCN2C)c(C)c1Br ZINC000896529473 663560763 /nfs/dbraw/zinc/56/07/63/663560763.db2.gz ZYHVLNMNIXQCLR-CABCVRRESA-N 1 0 382.346 2.738 20 0 GFADRO CC(C)Oc1cc(C(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCN2C)ccc1Br ZINC000896531597 663561360 /nfs/dbraw/zinc/56/13/60/663561360.db2.gz GQBHVFKTYYSGII-XJKSGUPXSA-N 1 0 398.345 2.600 20 0 GFADRO CC(C)Oc1cc(C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCN2C)ccc1Br ZINC000896531593 663561500 /nfs/dbraw/zinc/56/15/00/663561500.db2.gz GQBHVFKTYYSGII-CJNGLKHVSA-N 1 0 398.345 2.600 20 0 GFADRO C[C@@H](NC(=O)c1cc(Cl)cc(Br)c1F)[C@@H]1C[N@H+](C)CCN1C ZINC000896546871 663563033 /nfs/dbraw/zinc/56/30/33/663563033.db2.gz ZJMONRWRZNSGHM-RNCFNFMXSA-N 1 0 392.700 2.606 20 0 GFADRO CC[C@H](Cc1cccc(Br)c1)C(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCN1C ZINC000896566312 663564793 /nfs/dbraw/zinc/56/47/93/663564793.db2.gz YJWIICUGQFBKQW-LESCRADOSA-N 1 0 396.373 2.768 20 0 GFADRO C[C@@H](NC(=O)c1cc2cc(Br)ccc2o1)[C@@H]1C[N@H+](C)CCN1C ZINC000896570109 663565649 /nfs/dbraw/zinc/56/56/49/663565649.db2.gz JOSJIRWAEWULBS-RISCZKNCSA-N 1 0 380.286 2.559 20 0 GFADRO C[C@@H](NC(=O)CCCOc1ccc(Cl)cc1Cl)[C@@H]1C[N@H+](C)CCN1C ZINC000896579665 663565871 /nfs/dbraw/zinc/56/58/71/663565871.db2.gz IDEQEORBCVMUQQ-CJNGLKHVSA-N 1 0 388.339 2.903 20 0 GFADRO CN(C[C@H](O)c1cccc(Br)c1)C(=O)NC[C@@H]1CCCC[N@H+](C)C1 ZINC000897557916 663610338 /nfs/dbraw/zinc/61/03/38/663610338.db2.gz SRVGQUBWBDSOPG-YOEHRIQHSA-N 1 0 398.345 2.856 20 0 GFADRO COc1ccc([C@@H]([NH2+]C(C)C)C(=O)Nc2cc(Br)nn2C)cc1 ZINC000897821265 663621675 /nfs/dbraw/zinc/62/16/75/663621675.db2.gz KKLQAVBJCQSUDG-OAHLLOKOSA-N 1 0 381.274 2.869 20 0 GFADRO CO[C@@H]1CCOC[C@H]1[NH2+][C@@H]1CCN(C)[C@@H](c2ccc(Br)cc2)C1 ZINC000897888491 663624122 /nfs/dbraw/zinc/62/41/22/663624122.db2.gz CJXHRHKYBMEJKC-BRSBDYLESA-N 1 0 383.330 2.978 20 0 GFADRO O=C(NC/C=C\c1ccc(Br)cc1)C1C[NH+](C2CCOCC2)C1 ZINC000897892145 663624411 /nfs/dbraw/zinc/62/44/11/663624411.db2.gz FIMXIOUXVHYGLR-UPHRSURJSA-N 1 0 379.298 2.689 20 0 GFADRO CO[C@@H]1CCOC[C@H]1[NH2+]C1CCN(Cc2ccccc2Br)CC1 ZINC000897891569 663624502 /nfs/dbraw/zinc/62/45/02/663624502.db2.gz IIYLTRUIEGDOKH-QZTJIDSGSA-N 1 0 383.330 2.807 20 0 GFADRO Cc1cc(Br)ccc1C(=O)N1CCC([NH2+]Cc2cn(C)cn2)CC1 ZINC000898043417 663631284 /nfs/dbraw/zinc/63/12/84/663631284.db2.gz OKNCVSUZNVCHQV-UHFFFAOYSA-N 1 0 391.313 2.885 20 0 GFADRO CC(C)(COc1ncccc1Br)NC(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC000898141050 663635156 /nfs/dbraw/zinc/63/51/56/663635156.db2.gz WXVGAKLNSZTLOO-KRWDZBQOSA-N 1 0 382.302 2.604 20 0 GFADRO Cc1ccc(C[NH2+][C@@H]2CCN(c3cc(=O)[nH]cn3)C2)c(C)c1Br ZINC000898149844 663635389 /nfs/dbraw/zinc/63/53/89/663635389.db2.gz HSAUNXQYLRCIPD-CQSZACIVSA-N 1 0 377.286 2.930 20 0 GFADRO O=c1cc(N2CC[C@H]([NH2+][C@H]3CCc4c3ccc(F)c4Br)C2)nc[nH]1 ZINC000898151693 663635905 /nfs/dbraw/zinc/63/59/05/663635905.db2.gz TWOBMVSTNFELKY-HZMBPMFUSA-N 1 0 393.260 2.940 20 0 GFADRO O=c1cc(N2CC[C@H]([NH2+]Cc3cc(Br)ccc3Cl)C2)nc[nH]1 ZINC000898156701 663636313 /nfs/dbraw/zinc/63/63/13/663636313.db2.gz YKXRGCZOVVRZLT-LBPRGKRZSA-N 1 0 383.677 2.967 20 0 GFADRO O=c1cc(N2CC[C@@H]([NH2+]Cc3ccc(Cl)c(Br)c3)C2)nc[nH]1 ZINC000898155796 663636401 /nfs/dbraw/zinc/63/64/01/663636401.db2.gz RRCZRMRNCGDJBF-LLVKDONJSA-N 1 0 383.677 2.967 20 0 GFADRO C[C@H]([NH2+]Cc1ccc(S(N)(=O)=O)c(Cl)c1)c1cnn(CC2CCC2)c1 ZINC000898181194 663637522 /nfs/dbraw/zinc/63/75/22/663637522.db2.gz CJZDVXPFAGPZKE-LBPRGKRZSA-N 1 0 382.917 2.835 20 0 GFADRO O=S(=O)(Nc1cccc(C[NH2+][C@@H]2CCO[C@@H](C(F)(F)F)C2)c1)C1CC1 ZINC000898290453 663642314 /nfs/dbraw/zinc/64/23/14/663642314.db2.gz RGSBEQVHHSVDMH-IUODEOHRSA-N 1 0 378.416 2.790 20 0 GFADRO O=c1ccn(CCC[NH2+][C@H]2CCc3c2ccc(F)c3Br)c(=O)[nH]1 ZINC000898329859 663643731 /nfs/dbraw/zinc/64/37/31/663643731.db2.gz LVUAAWBUGXYPSO-ZDUSSCGKSA-N 1 0 382.233 2.518 20 0 GFADRO O=c1[nH]ncc(N2CC[C@H]([NH2+]Cc3cccc(Br)c3)C2)c1Cl ZINC000898362820 663644604 /nfs/dbraw/zinc/64/46/04/663644604.db2.gz MIWRMOGUIQIRNL-LBPRGKRZSA-N 1 0 383.677 2.967 20 0 GFADRO O=C(Cc1ccccc1Br)NC1CC[NH+](C2CCOCC2)CC1 ZINC000898630301 663658300 /nfs/dbraw/zinc/65/83/00/663658300.db2.gz ADWAZCZSOMHGSL-UHFFFAOYSA-N 1 0 381.314 2.751 20 0 GFADRO O=C(NC1CC[NH+](C2CCOCC2)CC1)c1cc(F)ccc1Br ZINC000898627899 663658358 /nfs/dbraw/zinc/65/83/58/663658358.db2.gz TZHHSNJVAAUWRY-UHFFFAOYSA-N 1 0 385.277 2.961 20 0 GFADRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+][C@@H]2CCc3ncc(Br)n3C2)C1 ZINC000898723321 663660850 /nfs/dbraw/zinc/66/08/50/663660850.db2.gz DRZIWLYRFMAAHL-VXGBXAGGSA-N 1 0 385.306 2.559 20 0 GFADRO Brc1cnc2n1C[C@@H]([NH2+]Cc1cc(-n3ccnc3)cs1)CC2 ZINC000898723750 663661108 /nfs/dbraw/zinc/66/11/08/663661108.db2.gz IPJHNHBYYNRJAR-NSHDSACASA-N 1 0 378.299 2.997 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+](C2CCCCC2)C1)c1nn2c(c1Br)CCC2 ZINC000898782470 663663936 /nfs/dbraw/zinc/66/39/36/663663936.db2.gz JEWIVBFFNDOHGH-GFCCVEGCSA-N 1 0 381.318 2.729 20 0 GFADRO CC(C)[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)NCC(C)(C)n1ccnc1 ZINC000898907549 663668988 /nfs/dbraw/zinc/66/89/88/663668988.db2.gz TZQJEXKNLXPTEB-CQSZACIVSA-N 1 0 382.917 2.904 20 0 GFADRO CSCCCNC(=S)NCC1([N@H+](C)Cc2ccccc2)CCOCC1 ZINC000899563854 663693886 /nfs/dbraw/zinc/69/38/86/663693886.db2.gz BRRQVDLLKVZTIH-UHFFFAOYSA-N 1 0 381.611 2.885 20 0 GFADRO O=C(c1cn(C[C@H]2CCCC[NH2+]C2)nn1)c1ccc(Br)cc1F ZINC000899742431 663700038 /nfs/dbraw/zinc/70/00/38/663700038.db2.gz XDBVHBXDHIXASC-NSHDSACASA-N 1 0 381.249 2.800 20 0 GFADRO Cc1cc(C(=O)N2CCC[C@@H]([NH2+]C3CCOCC3)C2)cnc1Br ZINC000899927836 663702811 /nfs/dbraw/zinc/70/28/11/663702811.db2.gz SPFHXPFTKHPYFY-OAHLLOKOSA-N 1 0 382.302 2.526 20 0 GFADRO C[N@@H+]1CCC[C@@](O)(CC(=O)N2CCC[C@H]2c2ccc(Br)cc2)C1 ZINC000900292578 663711809 /nfs/dbraw/zinc/71/18/09/663711809.db2.gz CCGOGKQDXHOJLM-FUHWJXTLSA-N 1 0 381.314 2.959 20 0 GFADRO CCn1c(Br)ncc1C(=O)N(CC[NH+](C)C)Cc1ccc(C)o1 ZINC000900417617 663714295 /nfs/dbraw/zinc/71/42/95/663714295.db2.gz JGJBKTTUJBZQKW-UHFFFAOYSA-N 1 0 383.290 2.771 20 0 GFADRO CC(C)[NH+]1CCN(CCC(=O)NCCc2ccccc2Br)CC1 ZINC000900435562 663714442 /nfs/dbraw/zinc/71/44/42/663714442.db2.gz PNOPNAPSBLPWET-UHFFFAOYSA-N 1 0 382.346 2.524 20 0 GFADRO C[NH+]1CCC(NCc2cn(Cc3cccc(Cl)c3Br)nn2)CC1 ZINC000900582839 663717437 /nfs/dbraw/zinc/71/74/37/663717437.db2.gz KYVKNCPDLNOYNV-UHFFFAOYSA-N 1 0 398.736 2.926 20 0 GFADRO CC(C)[NH+]1CCN(CCC(=O)N2CCc3cccc(Br)c3C2)CC1 ZINC000900750581 663720699 /nfs/dbraw/zinc/72/06/99/663720699.db2.gz DLLRGORTGFTWSM-UHFFFAOYSA-N 1 0 394.357 2.750 20 0 GFADRO C[C@@H]([NH2+][C@H]1CCc2ncc(Br)n2C1)C(=O)Nc1ccc(F)cc1F ZINC000901730916 663744157 /nfs/dbraw/zinc/74/41/57/663744157.db2.gz YOPCCQKYSNDOIA-KOLCDFICSA-N 1 0 399.239 2.855 20 0 GFADRO COc1cn(C[NH+]2CCN(c3ccc(Br)cc3)CC2)c(C)cc1=O ZINC000902313377 663758843 /nfs/dbraw/zinc/75/88/43/663758843.db2.gz QUETZZRRKJHFHM-UHFFFAOYSA-N 1 0 392.297 2.708 20 0 GFADRO CC[NH+]1CCC(NC(=O)COc2cccc3cc(Br)cnc32)CC1 ZINC000902399946 663760803 /nfs/dbraw/zinc/76/08/03/663760803.db2.gz JBBJPMNWCOMTJI-UHFFFAOYSA-N 1 0 392.297 2.977 20 0 GFADRO CC(C)[NH+]1CCC(NC(=O)Cn2cc(Br)c(C(C)(C)C)n2)CC1 ZINC000902423212 663761053 /nfs/dbraw/zinc/76/10/53/663761053.db2.gz QEGLTOFIXHTZQE-UHFFFAOYSA-N 1 0 385.350 2.932 20 0 GFADRO CCCS(=O)(=O)N1CCC([NH2+][C@@H](C)c2ccc(C(F)(F)F)cn2)CC1 ZINC000902746537 663766989 /nfs/dbraw/zinc/76/69/89/663766989.db2.gz JKVOQGOZRKAKAI-LBPRGKRZSA-N 1 0 379.448 2.955 20 0 GFADRO Brc1ccc(N2CC[C@H](C[NH2+][C@H]3CCO[C@]34CCOC4)C2)cc1 ZINC000903082290 663772677 /nfs/dbraw/zinc/77/26/77/663772677.db2.gz YEMKRUUIJZSDEV-JLSDUUJJSA-N 1 0 381.314 2.813 20 0 GFADRO C[C@@H]([NH2+]CCC(=O)NC(C)(C)C)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000903115635 663774357 /nfs/dbraw/zinc/77/43/57/663774357.db2.gz FORXPKMYYILDSC-LLVKDONJSA-N 1 0 380.432 2.936 20 0 GFADRO C[C@H]([NH2+]CC1([S@](C)=O)CCC1)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000903167197 663776734 /nfs/dbraw/zinc/77/67/34/663776734.db2.gz IBXPLHPJESGIMS-RULNZOCKSA-N 1 0 383.457 2.932 20 0 GFADRO C[C@H](Cc1cnn(C)c1)[NH2+][C@@H](C)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000903186485 663777343 /nfs/dbraw/zinc/77/73/43/663777343.db2.gz LKJLNFKSCRLOON-NEPJUHHUSA-N 1 0 375.416 2.995 20 0 GFADRO CS(C)(=O)=NS(=O)(=O)CC[NH2+][C@@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000903229609 663779562 /nfs/dbraw/zinc/77/95/62/663779562.db2.gz KTWQUOCFLCCFRQ-CQSZACIVSA-N 1 0 398.472 2.804 20 0 GFADRO CC[C@@H]([NH2+]CCS(=O)(=O)N=S(C)(C)=O)c1cccc(Br)c1 ZINC000903230353 663779689 /nfs/dbraw/zinc/77/96/89/663779689.db2.gz ZZRIABNDAFSYEW-CYBMUJFWSA-N 1 0 397.360 2.547 20 0 GFADRO CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+]C[C@@]2(OC)CCSC2)cc1 ZINC000903309458 663781277 /nfs/dbraw/zinc/78/12/77/663781277.db2.gz DUSNDRHOAZEWKA-QAPCUYQASA-N 1 0 386.583 2.890 20 0 GFADRO CO[C@@]1(C[NH2+][C@H](C)c2ccc(Br)c(Cl)c2)CCS(=O)(=O)C1 ZINC000903363297 663782664 /nfs/dbraw/zinc/78/26/64/663782664.db2.gz NLRGHGOOHHFJRD-QMTHXVAHSA-N 1 0 396.734 2.957 20 0 GFADRO CO[C@]1(C[NH2+][C@@H](C)c2cc(Br)ccc2C)CCS(=O)(=O)C1 ZINC000903363218 663782723 /nfs/dbraw/zinc/78/27/23/663782723.db2.gz MPIOEVSSTVMJRY-WFASDCNBSA-N 1 0 376.316 2.612 20 0 GFADRO CO[C@@]1(C[NH2+][C@H](C)CCc2cccc(C(F)(F)F)c2)CCS(=O)(=O)C1 ZINC000903368934 663783147 /nfs/dbraw/zinc/78/31/47/663783147.db2.gz RXDGRYGGNLOCPX-CZUORRHYSA-N 1 0 379.444 2.820 20 0 GFADRO O=c1ccn(CCC[NH2+][C@@H]2CCCc3cc(Br)ccc32)c(=O)[nH]1 ZINC000903428096 663784410 /nfs/dbraw/zinc/78/44/10/663784410.db2.gz CYQBMMPROSABQW-OAHLLOKOSA-N 1 0 378.270 2.769 20 0 GFADRO O=S1(=O)CC[C@H]([NH2+][C@@H]2COC[C@H]2C2CC2)c2cc(Br)ccc21 ZINC000903438580 663784855 /nfs/dbraw/zinc/78/48/55/663784855.db2.gz VLPAHTAJZXGRHU-SOUVJXGZSA-N 1 0 386.311 2.682 20 0 GFADRO Cc1cc2ncc([C@@H](C)[NH2+][C@H]3CCc4ncc(Br)n4C3)c(C)n2n1 ZINC000903478804 663785368 /nfs/dbraw/zinc/78/53/68/663785368.db2.gz NGBGDKTVADNIKN-YPMHNXCESA-N 1 0 389.301 2.971 20 0 GFADRO CC[C@H]1CN(S(=O)(=O)c2c[nH]c3cc(Br)ccc32)CC[C@H]1[NH3+] ZINC000903495173 663785730 /nfs/dbraw/zinc/78/57/30/663785730.db2.gz RETFBMWUOWPRTI-GXFFZTMASA-N 1 0 386.315 2.678 20 0 GFADRO C[NH2+]C[C@H]1CCCN(S(=O)(=O)Cc2cccc(Cl)c2Br)C1 ZINC000903510366 663786102 /nfs/dbraw/zinc/78/61/02/663786102.db2.gz HWKLBXXQNFICGZ-LLVKDONJSA-N 1 0 395.750 2.864 20 0 GFADRO C[C@@H](C(=O)N(C)Cc1c(F)cccc1Cl)N1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903519023 663786820 /nfs/dbraw/zinc/78/68/20/663786820.db2.gz VIYWAJPEXMRZIX-DRCTWCGVSA-N 1 0 381.801 2.647 20 0 GFADRO C[C@@H]1C[NH2+]CC[C@@H]1NS(=O)(=O)Cc1cccc(Cl)c1Br ZINC000903519259 663786847 /nfs/dbraw/zinc/78/68/47/663786847.db2.gz WKMATNFAPIXMKE-SKDRFNHKSA-N 1 0 381.723 2.520 20 0 GFADRO C[C@H]1C[NH2+]CC[C@@H]1NS(=O)(=O)Cc1cccc(Cl)c1Br ZINC000903519084 663786870 /nfs/dbraw/zinc/78/68/70/663786870.db2.gz WKMATNFAPIXMKE-CABZTGNLSA-N 1 0 381.723 2.520 20 0 GFADRO COC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCC(C(C)(C)C[NH3+])CC2)c1 ZINC000903520997 663786969 /nfs/dbraw/zinc/78/69/69/663786969.db2.gz DNVWGEGYRCSQFR-UHFFFAOYSA-N 1 0 388.917 2.512 20 0 GFADRO CC(C)(C[NH3+])C1CCN(S(=O)(=O)c2cc3c(cc2Cl)CCC3=O)CC1 ZINC000903523561 663787264 /nfs/dbraw/zinc/78/72/64/663787264.db2.gz YMIXLIUSVKOKIE-UHFFFAOYSA-N 1 0 384.929 2.855 20 0 GFADRO O=S(=O)(Cc1cccc(Cl)c1Br)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000903525929 663787421 /nfs/dbraw/zinc/78/74/21/663787421.db2.gz VXLRWSQMJRFPDI-QWHCGFSZSA-N 1 0 393.734 2.759 20 0 GFADRO NC(=O)[C@@H](c1ccc(Br)cc1)N1C[C@@H](C[NH3+])Cc2cc(F)ccc21 ZINC000903567914 663788789 /nfs/dbraw/zinc/78/87/89/663788789.db2.gz GAFOULYWQGERMM-PIGZYNQJSA-N 1 0 392.272 2.752 20 0 GFADRO [NH3+][C@@H](Cc1ccccc1)[C@@H](O)CN1CCC[C@H]1c1cncc(Br)c1 ZINC000903566356 663788837 /nfs/dbraw/zinc/78/88/37/663788837.db2.gz QUROJYLUXATWSJ-FHWLQOOXSA-N 1 0 390.325 2.912 20 0 GFADRO [NH3+][C@H]1CN(S(=O)(=O)c2c(Cl)cccc2Cl)CC[C@H]1C(F)(F)F ZINC000903578304 663789937 /nfs/dbraw/zinc/78/99/37/663789937.db2.gz FSQHZBCGCLCICR-XCBNKYQSSA-N 1 0 377.215 2.894 20 0 GFADRO [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(S(=O)(=O)c1cccc(Br)c1Cl)C2 ZINC000903580127 663790202 /nfs/dbraw/zinc/79/02/02/663790202.db2.gz UGEJPPYZFXFXJX-GUBZILKMSA-N 1 0 379.707 2.603 20 0 GFADRO [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(S(=O)(=O)c1ccc(C(F)(F)C(F)(F)F)cc1)C2 ZINC000903580516 663790261 /nfs/dbraw/zinc/79/02/61/663790261.db2.gz ZGFSRFNYXOICJL-WCQGTBRESA-N 1 0 384.370 2.841 20 0 GFADRO O=S(=O)(c1cccc(Cl)c1Br)N1CCC[C@]12CC[NH2+]C2 ZINC000903592898 663791001 /nfs/dbraw/zinc/79/10/01/663791001.db2.gz IUWFJFAMTINVFK-CYBMUJFWSA-N 1 0 379.707 2.619 20 0 GFADRO O=S(=O)(c1ccc(Cl)c(Br)c1)N1CCC[C@@]12CC[NH2+]C2 ZINC000903592401 663791102 /nfs/dbraw/zinc/79/11/02/663791102.db2.gz DGMUVKXHPHDPGF-ZDUSSCGKSA-N 1 0 379.707 2.619 20 0 GFADRO O=S(=O)(c1ccc(Br)c(Cl)c1)N1CCC[C@@]12CC[NH2+]C2 ZINC000903593772 663791132 /nfs/dbraw/zinc/79/11/32/663791132.db2.gz VFHKKBWMWFCVTC-ZDUSSCGKSA-N 1 0 379.707 2.619 20 0 GFADRO Brc1ccc([C@@H]2CN(C[C@H]3C[C@@]4(CC[NH2+]C4)CO3)CCO2)cc1 ZINC000903727138 663805067 /nfs/dbraw/zinc/80/50/67/663805067.db2.gz QWCDBTHBPNVFON-FGTMMUONSA-N 1 0 381.314 2.591 20 0 GFADRO FC(F)(F)c1nc(Br)c2n1CCN(C[C@@H]1CCCC[NH2+]C1)C2 ZINC000903833913 663807871 /nfs/dbraw/zinc/80/78/71/663807871.db2.gz ZEKKBRIQOVPUIL-SNVBAGLBSA-N 1 0 381.240 2.870 20 0 GFADRO Cc1c(C[C@H](C[NH3+])CN2CCc3c(Br)cccc3C2)cnn1C ZINC000903888704 663809998 /nfs/dbraw/zinc/80/99/98/663809998.db2.gz JJFNBMUNKVHJIH-CQSZACIVSA-N 1 0 377.330 2.667 20 0 GFADRO Cc1c(C[C@@H](C[NH3+])CN(C)Cc2ccc(F)cc2Br)cnn1C ZINC000903916285 663811437 /nfs/dbraw/zinc/81/14/37/663811437.db2.gz SBJDNEJCRWPCDG-ZDUSSCGKSA-N 1 0 383.309 2.880 20 0 GFADRO COCC[C@@H]1C[NH2+]CCN1C(=O)Nc1c(C)cc(Br)cc1OC ZINC000904308903 663830526 /nfs/dbraw/zinc/83/05/26/663830526.db2.gz ZOCRJXIFULBGNW-CYBMUJFWSA-N 1 0 386.290 2.608 20 0 GFADRO O=C(Nc1cc(Br)ccc1F)N1CC[NH2+]CCC12CCOCC2 ZINC000904337745 663830723 /nfs/dbraw/zinc/83/07/23/663830723.db2.gz GSWYNUXJRITVFF-UHFFFAOYSA-N 1 0 386.265 2.965 20 0 GFADRO O=C(Nc1ccc(F)cc1I)N1CCC[C@@]12CC[NH2+]C2 ZINC000904364576 663831260 /nfs/dbraw/zinc/83/12/60/663831260.db2.gz MXFGIKYPKAUYHO-AWEZNQCLSA-N 1 0 389.212 2.790 20 0 GFADRO COC(=O)c1cc(NC(=O)N2CCC[C@@H]3CC[C@@]32C[NH3+])ccc1Br ZINC000904406593 663833094 /nfs/dbraw/zinc/83/30/94/663833094.db2.gz HNEFVXKZLCBUKO-PIGZYNQJSA-N 1 0 396.285 2.971 20 0 GFADRO COCC[C@H]1C[NH2+]CCN1C(=O)Nc1cc(-c2ccc(Cl)s2)nn1C ZINC000904451467 663835045 /nfs/dbraw/zinc/83/50/45/663835045.db2.gz DOJCSNNDAKKYPA-NSHDSACASA-N 1 0 383.905 2.644 20 0 GFADRO [NH3+]C[C@@]12CC[C@@H]1CCN2C(=O)Nc1ccc2nccnc2c1Br ZINC000904474337 663835768 /nfs/dbraw/zinc/83/57/68/663835768.db2.gz YIGSXGSXMJNZDM-HWPZZCPQSA-N 1 0 376.258 2.737 20 0 GFADRO [NH3+]C[C@]12CC[C@@H]1CCN2C(=O)Nc1ccc(I)cc1F ZINC000904521282 663836585 /nfs/dbraw/zinc/83/65/85/663836585.db2.gz MMRCAVOQANXHOF-YMTOWFKASA-N 1 0 389.212 2.775 20 0 GFADRO COCCOc1ccc(NC(=O)NCc2cc(N)cc[nH+]2)cc1Br ZINC000904549962 663837440 /nfs/dbraw/zinc/83/74/40/663837440.db2.gz ZHRAOZNKYWDXHJ-UHFFFAOYSA-N 1 0 395.257 2.773 20 0 GFADRO CN(C(=O)Nc1ccnn1Cc1ccc(Cl)s1)C1(C[NH3+])CCOCC1 ZINC000904550778 663837668 /nfs/dbraw/zinc/83/76/68/663837668.db2.gz ZUQYRRZAFAPFCL-UHFFFAOYSA-N 1 0 383.905 2.618 20 0 GFADRO COCCOc1ccc(NC(=O)NCC2=CC[NH2+]CC2)cc1Br ZINC000904551991 663838195 /nfs/dbraw/zinc/83/81/95/663838195.db2.gz RCCOGTJLQVSOLB-UHFFFAOYSA-N 1 0 384.274 2.516 20 0 GFADRO [NH3+]C12C[C@@H]3C[C@H](C1)CC(c1nc(Cn4cc(Br)cn4)no1)(C3)C2 ZINC000904617645 663838745 /nfs/dbraw/zinc/83/87/45/663838745.db2.gz MXAWPASPMAWKNO-IUOZQUQDSA-N 1 0 378.274 2.626 20 0 GFADRO COc1cc(Br)ccc1-c1noc(C2([C@H](C)[NH3+])CCOCC2)n1 ZINC000904673974 663840084 /nfs/dbraw/zinc/84/00/84/663840084.db2.gz KXDFRODKPWGUAE-JTQLQIEISA-N 1 0 382.258 2.903 20 0 GFADRO [NH3+][C@@H]1CCCC[C@@H]1c1nc(CNC(=O)c2ccc(Br)cc2)no1 ZINC000904712243 663841862 /nfs/dbraw/zinc/84/18/62/663841862.db2.gz FAMSIYFQJUJWJT-QWHCGFSZSA-N 1 0 379.258 2.747 20 0 GFADRO O[C@H](C[NH2+]CCOc1ncc(C(F)(F)F)cc1Cl)CC1(O)CCCC1 ZINC000905131401 663854554 /nfs/dbraw/zinc/85/45/54/663854554.db2.gz FWBVWKFSSAYRNY-LBPRGKRZSA-N 1 0 382.810 2.778 20 0 GFADRO O[C@H](C[NH2+]CCSCc1ccc(Cl)cc1Cl)C1(O)CCOCC1 ZINC000905202033 663858019 /nfs/dbraw/zinc/85/80/19/663858019.db2.gz QRDOZVZXKRKHPY-OAHLLOKOSA-N 1 0 380.337 2.719 20 0 GFADRO CCS(=O)(=O)N1CCC(C[NH2+]C[C@H](O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000905212635 663858991 /nfs/dbraw/zinc/85/89/91/663858991.db2.gz LORWKZAGJORXIH-INIZCTEOSA-N 1 0 395.352 2.678 20 0 GFADRO COc1ccccc1[C@H]1CSCCCN1S(=O)(=O)CC1CC[NH2+]CC1 ZINC000905362208 663867582 /nfs/dbraw/zinc/86/75/82/663867582.db2.gz MXROMAJMLZZTIZ-QGZVFWFLSA-N 1 0 384.567 2.505 20 0 GFADRO O=S(=O)(CC1CC[NH2+]CC1)NCC/C=C/c1ccc(Br)cc1 ZINC000905362870 663867596 /nfs/dbraw/zinc/86/75/96/663867596.db2.gz XGJYFTPNXZIIOG-HNQUOIGGSA-N 1 0 387.343 2.771 20 0 GFADRO CCC(F)(F)C(C)(C)C[NH2+]C[C@H](O)C1(S(=O)(=O)NC(C)(C)C)CCC1 ZINC000905387839 663868815 /nfs/dbraw/zinc/86/88/15/663868815.db2.gz YXPLOVWAGYMCOW-ZDUSSCGKSA-N 1 0 384.533 2.649 20 0 GFADRO O[C@@H](C[NH2+]C[C@H](O)C(F)(F)C(F)(F)F)c1ccc(F)c(Br)c1 ZINC000905446484 663871708 /nfs/dbraw/zinc/87/17/08/663871708.db2.gz HPKPLCPWYIRHBE-UWVGGRQHSA-N 1 0 396.125 2.770 20 0 GFADRO C[C@H](OC[C@H](O)C[NH2+]C[C@@H](O)C(F)(F)C(F)(F)F)c1ccc(Cl)cc1 ZINC000905446738 663871719 /nfs/dbraw/zinc/87/17/19/663871719.db2.gz LBNBIHNHHKQCPO-ZWKOPEQDSA-N 1 0 391.764 2.927 20 0 GFADRO O[C@H](C[NH2+]C[C@H](O)C(F)(F)C(F)(F)F)c1ccc(Br)cc1 ZINC000905446869 663872018 /nfs/dbraw/zinc/87/20/18/663872018.db2.gz LTKZMVGXSGGSBH-ZJUUUORDSA-N 1 0 378.135 2.631 20 0 GFADRO O[C@H](C[NH2+]C[C@H](O)C(F)(F)C(F)(F)F)c1ccccc1Br ZINC000905447384 663872036 /nfs/dbraw/zinc/87/20/36/663872036.db2.gz QNSCIJZTPFQCIR-ZJUUUORDSA-N 1 0 378.135 2.631 20 0 GFADRO O[C@@H](C[NH2+]Cc1cc(C(F)(F)F)ccc1Br)Cn1cccn1 ZINC000905464464 663872565 /nfs/dbraw/zinc/87/25/65/663872565.db2.gz GXUOWXHXTYZZRM-LBPRGKRZSA-N 1 0 378.192 2.815 20 0 GFADRO COC(=O)C1CC2(C1)C[C@H]([NH2+]C[C@H](O)c1ccccc1Br)CCO2 ZINC000905489983 663873922 /nfs/dbraw/zinc/87/39/22/663873922.db2.gz NWFJGHVWTJWBKD-UCGXZWMWSA-N 1 0 398.297 2.573 20 0 GFADRO CS(=O)(=O)C1CCC(C[NH2+]C[C@H](O)c2cccc(Br)c2)CC1 ZINC000905509297 663874717 /nfs/dbraw/zinc/87/47/17/663874717.db2.gz PLOWNUZSHWJQNF-MOQPWLNLSA-N 1 0 390.343 2.676 20 0 GFADRO CS(=O)(=O)C1CCC(C[NH2+]C[C@@H](O)c2ccccc2C(F)(F)F)CC1 ZINC000905510768 663875010 /nfs/dbraw/zinc/87/50/10/663875010.db2.gz ZXWXUPAYXHLVER-SEEARECTSA-N 1 0 379.444 2.932 20 0 GFADRO O[C@H](C[NH2+]Cc1c(Cl)cc(Br)cc1Cl)C1(O)CCOCC1 ZINC000905617478 663881751 /nfs/dbraw/zinc/88/17/51/663881751.db2.gz DPUVCKGWTXFZEL-CYBMUJFWSA-N 1 0 399.112 2.748 20 0 GFADRO O[C@@H](C[NH2+]Cc1ccc(Br)c(Br)c1)Cn1cccn1 ZINC000905664742 663884517 /nfs/dbraw/zinc/88/45/17/663884517.db2.gz TUPUJIRVVIEBDQ-NSHDSACASA-N 1 0 389.091 2.559 20 0 GFADRO CN(c1cccc(C[NH2+]C[C@@H](O)c2ccc(Cl)c(F)c2)c1)S(C)(=O)=O ZINC000905698915 663887178 /nfs/dbraw/zinc/88/71/78/663887178.db2.gz QLJKFUWJSMEBFY-QGZVFWFLSA-N 1 0 386.876 2.698 20 0 GFADRO O=C1[C@@H]([NH2+][C@H]2CCOc3ccc(Br)cc32)CCN1C1CCOCC1 ZINC000905852677 663896877 /nfs/dbraw/zinc/89/68/77/663896877.db2.gz MSLVHXZTQGAYGL-HOTGVXAUSA-N 1 0 395.297 2.642 20 0 GFADRO CC[S@](C)(=O)=NS(=O)(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000906068950 663920779 /nfs/dbraw/zinc/92/07/79/663920779.db2.gz QMNROUSCADCXEV-QHCPKHFHSA-N 1 0 391.584 2.649 20 0 GFADRO C[C@H](CNC(=O)c1cc(Br)cn(C2CC2)c1=O)[N@@H+]1CCC[C@@H](C)C1 ZINC000906166817 663929967 /nfs/dbraw/zinc/92/99/67/663929967.db2.gz AOUFNTUGORDXFV-CHWSQXEVSA-N 1 0 396.329 2.796 20 0 GFADRO C[C@H](CNC(=O)c1nscc1I)[N@@H+]1CCC[C@@H](C)C1 ZINC000906169666 663930338 /nfs/dbraw/zinc/93/03/38/663930338.db2.gz YUXOVAUVDQXQDH-NXEZZACHSA-N 1 0 393.294 2.598 20 0 GFADRO CN(C(=O)[C@H]1CCOc2ccc(Br)cc21)c1cc(C[NH3+])ccn1 ZINC000906227554 663933017 /nfs/dbraw/zinc/93/30/17/663933017.db2.gz NOWOLXFCANCHAV-ZDUSSCGKSA-N 1 0 376.254 2.832 20 0 GFADRO CC(C)(C)[NH+]1CCC(NC(=O)c2nscc2I)CC1 ZINC000906339770 663938711 /nfs/dbraw/zinc/93/87/11/663938711.db2.gz FYRUITGXYIJDTR-UHFFFAOYSA-N 1 0 393.294 2.740 20 0 GFADRO C[C@H](CNC(=O)c1cc(Br)cn(C2CC2)c1=O)C[NH+]1CCCCC1 ZINC000906343713 663938936 /nfs/dbraw/zinc/93/89/36/663938936.db2.gz KVMZYRMUOBOFLR-CYBMUJFWSA-N 1 0 396.329 2.798 20 0 GFADRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1cc(Br)cn(C2CC2)c1=O ZINC000906388239 663944416 /nfs/dbraw/zinc/94/44/16/663944416.db2.gz BMTOFEGMLYZKDG-QWHCGFSZSA-N 1 0 396.329 2.796 20 0 GFADRO O=C(Nc1ccc2cc(Br)ccc2c1)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000906724170 663967114 /nfs/dbraw/zinc/96/71/14/663967114.db2.gz ASIQTXYNESWVFP-OWCLPIDISA-N 1 0 388.265 2.550 20 0 GFADRO C[C@H]1C[C@H](N(C)C(=O)c2cc(Br)cn(C3CC3)c2=O)CC[N@@H+]1C ZINC000906792130 663971149 /nfs/dbraw/zinc/97/11/49/663971149.db2.gz MSSXYFJZROKIRH-SMDDNHRTSA-N 1 0 382.302 2.500 20 0 GFADRO C[C@H]1C[C@H](N(C)C(=O)C(F)(F)c2ncccc2Br)CC[N@@H+]1C ZINC000906790598 663971239 /nfs/dbraw/zinc/97/12/39/663971239.db2.gz KARCMSSXSZFOEA-WDEREUQCSA-N 1 0 376.245 2.877 20 0 GFADRO C[NH+]1CCC([C@H]2CCN(C(=O)c3cccn4ncc(Br)c34)C2)CC1 ZINC000907128780 664005124 /nfs/dbraw/zinc/00/51/24/664005124.db2.gz LJTUWPUVYSWXLW-AWEZNQCLSA-N 1 0 391.313 2.901 20 0 GFADRO O=C(C[C@H](O)C(Cl)(Cl)Cl)Nc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000907161444 664007874 /nfs/dbraw/zinc/00/78/74/664007874.db2.gz IXKJDCJXNRWZHS-AWEZNQCLSA-N 1 0 395.714 2.703 20 0 GFADRO C[NH+](C)[C@H](CC(=O)N[C@@H]1CCc2ncc(Br)n2C1)c1ccccc1 ZINC000907278579 664018250 /nfs/dbraw/zinc/01/82/50/664018250.db2.gz HEVQLLWQZPCGMN-HUUCEWRRSA-N 1 0 391.313 2.770 20 0 GFADRO Cc1ccc(C[N@H+]2CC[C@H](CN(C)S(=O)(=O)CCOCC3CC3)C2)s1 ZINC000907346844 664026601 /nfs/dbraw/zinc/02/66/01/664026601.db2.gz OKZVYYKTCZKYGG-QGZVFWFLSA-N 1 0 386.583 2.567 20 0 GFADRO CCn1c(Br)ncc1C(=O)NCC[N@H+](CC)CCC(F)(F)F ZINC000907726417 664056125 /nfs/dbraw/zinc/05/61/25/664056125.db2.gz GWGGQOOJDSVSRH-UHFFFAOYSA-N 1 0 385.228 2.670 20 0 GFADRO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)c1nscc1I ZINC000907851463 664065506 /nfs/dbraw/zinc/06/55/06/664065506.db2.gz QBHSELOMZDXBLU-SNVBAGLBSA-N 1 0 393.294 2.598 20 0 GFADRO CC[NH+](CC)CC[C@@H](CO)NC(=O)c1c(C)ccc(F)c1Br ZINC000907934948 664072512 /nfs/dbraw/zinc/07/25/12/664072512.db2.gz NVQUEYWYBBGORP-LBPRGKRZSA-N 1 0 375.282 2.719 20 0 GFADRO C[NH+](C)C1CC(NC(=O)CSc2nnc(-c3cccs3)n2C2CC2)C1 ZINC000908009925 664076505 /nfs/dbraw/zinc/07/65/05/664076505.db2.gz MURYVAQNCHDGBS-UHFFFAOYSA-N 1 0 377.539 2.642 20 0 GFADRO C[N@@H+]1C[C@@H](O)C[C@]1(C)C(=O)NCC1(c2ccc(Br)s2)CCC1 ZINC000908120546 664084884 /nfs/dbraw/zinc/08/48/84/664084884.db2.gz KCRLOBQTKFAUBT-XHDPSFHLSA-N 1 0 387.343 2.504 20 0 GFADRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1cccn2ncc(Br)c12 ZINC000908150018 664088059 /nfs/dbraw/zinc/08/80/59/664088059.db2.gz YARNDWHLQZRUFI-QWHCGFSZSA-N 1 0 377.286 2.796 20 0 GFADRO C[NH+](C)CCn1nccc1C(=O)N[C@H](CCO)c1ccc(Cl)c(Cl)c1 ZINC000908149786 664088100 /nfs/dbraw/zinc/08/81/00/664088100.db2.gz FPZGWZSDEQUYGG-OAHLLOKOSA-N 1 0 385.295 2.605 20 0 GFADRO C[C@H]1[C@H](NC(=O)c2cn(C)nc2Br)CC[N@@H+]1Cc1ccccc1 ZINC000908231730 664093598 /nfs/dbraw/zinc/09/35/98/664093598.db2.gz ZGXJOEPUUNFIMJ-SWLSCSKDSA-N 1 0 377.286 2.575 20 0 GFADRO CCOc1cc(Br)c(F)cc1NC(=O)C[C@]1(O)CCC[N@H+](C)C1 ZINC000908302682 664097796 /nfs/dbraw/zinc/09/77/96/664097796.db2.gz LHHNJXCDUIDGNY-MRXNPFEDSA-N 1 0 389.265 2.772 20 0 GFADRO Cn1cc(C(=O)N2CCC3(CCC([NH+](C)C)CC3)CC2)c(Br)n1 ZINC000908503386 664111227 /nfs/dbraw/zinc/11/12/27/664111227.db2.gz JHMXGZGNYDWPQB-UHFFFAOYSA-N 1 0 383.334 2.909 20 0 GFADRO CC(C)[N@H+](CCO)CC1CCN(C(=O)c2cc(Cl)c(Cl)n2C)CC1 ZINC000910856769 664230245 /nfs/dbraw/zinc/23/02/45/664230245.db2.gz DXDINCVNYBZDET-UHFFFAOYSA-N 1 0 376.328 2.887 20 0 GFADRO O=C(NCc1c(F)c(F)c(Br)c(F)c1F)C12CC[NH+](CC1)C2 ZINC000911319203 664243208 /nfs/dbraw/zinc/24/32/08/664243208.db2.gz GKIBEOZPLAIPCS-UHFFFAOYSA-N 1 0 381.167 2.718 20 0 GFADRO C[NH2+]C[C@H]1CCCN(C(=O)c2cnn(Cc3ccccc3)c2Br)C1 ZINC000911633526 664250940 /nfs/dbraw/zinc/25/09/40/664250940.db2.gz HFUVHVZQEOCFOL-OAHLLOKOSA-N 1 0 391.313 2.766 20 0 GFADRO COc1ccccc1[C@@H]([NH3+])CNC(=O)c1nn(C(C)C)cc1Br ZINC000911666084 664252172 /nfs/dbraw/zinc/25/21/72/664252172.db2.gz WGLNSCRJCGKEOW-ZDUSSCGKSA-N 1 0 381.274 2.665 20 0 GFADRO O=C(NCC[NH2+]C1CC1)c1c(Cl)ccc(I)c1F ZINC000911753429 664255474 /nfs/dbraw/zinc/25/54/74/664255474.db2.gz BDMNWHWIHPDXTA-UHFFFAOYSA-N 1 0 382.604 2.566 20 0 GFADRO C[C@H]1CN(C(=O)c2ccc(Cn3cc(Br)cn3)s2)CC[C@H]1[NH3+] ZINC000911818638 664256906 /nfs/dbraw/zinc/25/69/06/664256906.db2.gz MZFGBUXVSVLKEH-GXFFZTMASA-N 1 0 383.315 2.565 20 0 GFADRO C[C@@H]1CN(C(=O)c2cnn(Cc3ccccc3)c2Br)CC[C@H]1[NH3+] ZINC000911824534 664257476 /nfs/dbraw/zinc/25/74/76/664257476.db2.gz OBSDKNGQVZGSSK-IUODEOHRSA-N 1 0 377.286 2.503 20 0 GFADRO O[C@@H]1CCC[C@@H]1[NH+]1CCN(c2ccc(-c3nnc(Br)o3)cc2)CC1 ZINC000911855062 664258923 /nfs/dbraw/zinc/25/89/23/664258923.db2.gz DWKGRLLKTMFUAU-LSDHHAIUSA-N 1 0 393.285 2.535 20 0 GFADRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C[C@@H]1c2cc(Br)ccc2NC1=O ZINC000911869776 664259993 /nfs/dbraw/zinc/25/99/93/664259993.db2.gz CNEOYWAFJDGCCJ-KGLIPLIRSA-N 1 0 382.302 2.707 20 0 GFADRO [NH3+][C@H]1CCCn2nc(C(=O)Nc3ccc(I)cc3)cc21 ZINC000911925593 664262110 /nfs/dbraw/zinc/26/21/10/664262110.db2.gz BAJXSKIJIREDOI-NSHDSACASA-N 1 0 382.205 2.534 20 0 GFADRO C[C@@H](CC(=O)N(CCO)C1CC[NH+](C)CC1)c1ccc(Br)cc1 ZINC000911940744 664262817 /nfs/dbraw/zinc/26/28/17/664262817.db2.gz UVPDSVFVRVHTLE-AWEZNQCLSA-N 1 0 383.330 2.858 20 0 GFADRO Cc1ccc(CCC(=O)N(CCO)C2CC[NH+](C)CC2)c(Br)c1 ZINC000911941915 664262846 /nfs/dbraw/zinc/26/28/46/664262846.db2.gz YGPUPLIUFMAXPQ-UHFFFAOYSA-N 1 0 383.330 2.605 20 0 GFADRO CCCCOCCCNC(=O)[C@H](N)c1ccccc1I ZINC000911959016 664263557 /nfs/dbraw/zinc/26/35/57/664263557.db2.gz VBGPEGSQCFBJMS-CQSZACIVSA-N 1 0 390.265 2.614 20 0 GFADRO CC(C)C[C@@](C)(C[NH3+])C(=O)N(C)CC(=O)Nc1ccccc1Br ZINC000912029847 664267162 /nfs/dbraw/zinc/26/71/62/664267162.db2.gz QOTHVLPZJIOWHV-KRWDZBQOSA-N 1 0 384.318 2.857 20 0 GFADRO N[C@@H](C(=O)Nc1nc2c(s1)CCC2)c1ccccc1I ZINC000912121817 664271034 /nfs/dbraw/zinc/27/10/34/664271034.db2.gz JEBCHXPCAMOSLD-GFCCVEGCSA-N 1 0 399.257 2.875 20 0 GFADRO O=C(C[C@@]1(O)CCC[NH2+]C1)Nc1ccnn1Cc1cccc(Cl)c1Cl ZINC000912148760 664271659 /nfs/dbraw/zinc/27/16/59/664271659.db2.gz LSNRTTQXMZCEIW-KRWDZBQOSA-N 1 0 383.279 2.681 20 0 GFADRO Cc1ccc(C(=O)NCC(F)(F)F)cc1NC(=O)CCSCCC[NH3+] ZINC000912449162 664287333 /nfs/dbraw/zinc/28/73/33/664287333.db2.gz JORWQLQGYPXYIV-UHFFFAOYSA-N 1 0 377.432 2.698 20 0 GFADRO C[NH+](C)[C@H]1C[C@H](NC(=O)c2cc(Br)cn(C3CC3)c2=O)C12CCC2 ZINC000912603613 664294379 /nfs/dbraw/zinc/29/43/79/664294379.db2.gz VQYIIDXAYZPKSY-GJZGRUSLSA-N 1 0 394.313 2.548 20 0 GFADRO O=C(Cc1ccccc1I)N1CCC([NH+]2CCC2)CC1 ZINC000912876336 664307032 /nfs/dbraw/zinc/30/70/32/664307032.db2.gz GTYMGSWINARXKE-UHFFFAOYSA-N 1 0 384.261 2.530 20 0 GFADRO O=C(C[C@@H]1Sc2ccc(Cl)cc2NC1=O)N1CCC([NH+]2CCC2)CC1 ZINC000912882858 664307303 /nfs/dbraw/zinc/30/73/03/664307303.db2.gz TYXMUJFPIWJTEU-INIZCTEOSA-N 1 0 379.913 2.840 20 0 GFADRO C[N@@H+]1C[C@@]2(C)CN(C(=O)C(F)(F)c3ncccc3Br)C[C@@]2(C)C1 ZINC000913272640 664330746 /nfs/dbraw/zinc/33/07/46/664330746.db2.gz CAGYRCHHFHXNIK-GASCZTMLSA-N 1 0 388.256 2.736 20 0 GFADRO C[N@@H+]1C[C@@]2(C)CN(C(=O)C3(c4cncc(Br)c4)CC3)C[C@@]2(C)C1 ZINC000913278861 664331043 /nfs/dbraw/zinc/33/10/43/664331043.db2.gz LZLSCBKZFNFGTM-CALCHBBNSA-N 1 0 378.314 2.676 20 0 GFADRO C[NH+](C)C1(C)CCN(C(=O)c2ccc(F)c(I)c2)CC1 ZINC000913394583 664334683 /nfs/dbraw/zinc/33/46/83/664334683.db2.gz JGFDPJQDMRRURI-UHFFFAOYSA-N 1 0 390.240 2.987 20 0 GFADRO O=C(Cc1csc(COc2ccc(Cl)cc2)n1)NC12CC[NH+](CC1)C2 ZINC000913626598 664346921 /nfs/dbraw/zinc/34/69/21/664346921.db2.gz ZEUDHWYEJQDMQO-UHFFFAOYSA-N 1 0 377.897 2.882 20 0 GFADRO O=C(CCc1nc2cc(Br)ccc2s1)NC12CC[NH+](CC1)C2 ZINC000913631249 664347229 /nfs/dbraw/zinc/34/72/29/664347229.db2.gz SMKNIMVMYKWOBT-UHFFFAOYSA-N 1 0 380.311 2.956 20 0 GFADRO CC(C)n1cc(Br)c(C(=O)Nc2cnn(C3CC[NH+](C)CC3)c2)n1 ZINC000913658912 664347941 /nfs/dbraw/zinc/34/79/41/664347941.db2.gz CIMAJNABEQGGAW-UHFFFAOYSA-N 1 0 395.305 2.942 20 0 GFADRO C[NH+](C)CC1(O)CCN(C(=O)CCC(=O)c2cc(Cl)sc2Cl)CC1 ZINC000913679986 664349255 /nfs/dbraw/zinc/34/92/55/664349255.db2.gz YTPQHCQLTYBYTQ-UHFFFAOYSA-N 1 0 393.336 2.933 20 0 GFADRO C[C@H](C(=O)N1CCC(O)(C[NH+](C)C)CC1)c1ccc(Br)s1 ZINC000913679563 664349286 /nfs/dbraw/zinc/34/92/86/664349286.db2.gz HHVBOOMJFLGLAR-NSHDSACASA-N 1 0 375.332 2.529 20 0 GFADRO C[N@@H+]1CC[C@H]2CN(C(=O)c3cnnn3-c3cc(Cl)ccc3Cl)CC[C@@H]21 ZINC000913760948 664356239 /nfs/dbraw/zinc/35/62/39/664356239.db2.gz UOYUIGLAQKOZEA-FZMZJTMJSA-N 1 0 380.279 2.740 20 0 GFADRO O=S(=O)(Cc1cccc(F)c1Br)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000913934826 664367112 /nfs/dbraw/zinc/36/71/12/664367112.db2.gz TUPHLTWUIUPZCZ-CHWSQXEVSA-N 1 0 391.306 2.634 20 0 GFADRO CC[NH+]1CCC(CNS(=O)(=O)Cc2cccc(F)c2Br)CC1 ZINC000913966048 664369370 /nfs/dbraw/zinc/36/93/70/664369370.db2.gz UUOIJKUZPHXMNR-UHFFFAOYSA-N 1 0 393.322 2.740 20 0 GFADRO CC[NH+](CC)[C@H](C)CNC(=O)N1CCC[C@@H]1c1ncc(Br)cn1 ZINC000914069690 664374029 /nfs/dbraw/zinc/37/40/29/664374029.db2.gz YVMYLKBINYDJCV-TZMCWYRMSA-N 1 0 384.322 2.816 20 0 GFADRO C[C@@H](CNC(=O)N1CCC[C@@H]1c1ncc(Br)cn1)[NH+]1CCCCC1 ZINC000914293266 664395923 /nfs/dbraw/zinc/39/59/23/664395923.db2.gz JLCBNEXHQACUSG-DZGCQCFKSA-N 1 0 396.333 2.960 20 0 GFADRO CC[NH+]1CCN(CCNC(=O)/C=C\c2ccc(C)cc2Br)CC1 ZINC000915268006 664426172 /nfs/dbraw/zinc/42/61/72/664426172.db2.gz RHZKOYZCMHADHO-SREVYHEPSA-N 1 0 380.330 2.524 20 0 GFADRO O=C(/C=C/c1ccc(I)o1)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000915634149 664436224 /nfs/dbraw/zinc/43/62/24/664436224.db2.gz RYXFCSQVXKQLGH-JOVKLMRISA-N 1 0 386.233 2.640 20 0 GFADRO C[N@@H+]1CCC[C@H](CCNS(=O)(=O)Cc2cccc(F)c2Br)C1 ZINC000916265818 664455361 /nfs/dbraw/zinc/45/53/61/664455361.db2.gz RKFMXVLUXMTQBZ-GFCCVEGCSA-N 1 0 393.322 2.740 20 0 GFADRO CC[NH+](CC)CCOC(=O)CCNC(=O)c1cc(F)ccc1Br ZINC000916294059 664456253 /nfs/dbraw/zinc/45/62/53/664456253.db2.gz VLCIHARUNJEQAN-UHFFFAOYSA-N 1 0 389.265 2.593 20 0 GFADRO CC(C)[NH2+]C1(CO)CCN(S(=O)(=O)c2cc(Cl)sc2Cl)CC1 ZINC000917527356 664485477 /nfs/dbraw/zinc/48/54/77/664485477.db2.gz HTMOHLXYWIUZEP-UHFFFAOYSA-N 1 0 387.354 2.569 20 0 GFADRO CC(C)[NH2+]C1(CO)CCN(S(=O)(=O)c2c(Cl)cc(F)cc2Cl)CC1 ZINC000917546006 664486028 /nfs/dbraw/zinc/48/60/28/664486028.db2.gz XSYXBBNWZGOLHG-UHFFFAOYSA-N 1 0 399.315 2.646 20 0 GFADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)N1CCC[C@]1(C)Cc1ccc(Cl)s1 ZINC000917973389 664493753 /nfs/dbraw/zinc/49/37/53/664493753.db2.gz XVUKBRXWEGVFAW-RDTXWAMCSA-N 1 0 384.977 2.754 20 0 GFADRO O=C(CNS(=O)(=O)C[C@@]12CC[N@H+](C1)CCC2)c1cccc(Cl)c1Cl ZINC000918201428 664496879 /nfs/dbraw/zinc/49/68/79/664496879.db2.gz HYKIRJRQHHFCLE-INIZCTEOSA-N 1 0 391.320 2.581 20 0 GFADRO Cc1cc(Br)cc(C)c1S(=O)(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000919725662 664517215 /nfs/dbraw/zinc/51/72/15/664517215.db2.gz CCTQKXIZMMYDGA-HUUCEWRRSA-N 1 0 387.343 2.971 20 0 GFADRO CCN(CC)Cc1csc(NC(=O)C[C@H](NC(N)=O)c2cccs2)n1 ZINC000919756475 664517470 /nfs/dbraw/zinc/51/74/70/664517470.db2.gz KMEFQKSUQNYGDK-LBPRGKRZSA-N 1 0 381.527 2.785 20 0 GFADRO CN(CCCC[NH+]1CCCCC1)S(=O)(=O)c1occc1Br ZINC000919789205 664517982 /nfs/dbraw/zinc/51/79/82/664517982.db2.gz RGEKFNQQJUXJRW-UHFFFAOYSA-N 1 0 379.320 2.929 20 0 GFADRO CN(Cc1cscc1Br)C(=O)C(C)(C)C[NH+]1CCOCC1 ZINC000920462807 664526464 /nfs/dbraw/zinc/52/64/64/664526464.db2.gz WDTFHFXDKCOXJH-UHFFFAOYSA-N 1 0 375.332 2.827 20 0 GFADRO O=C(NCCc1nc(C(F)(F)F)cs1)N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000920936377 664534628 /nfs/dbraw/zinc/53/46/28/664534628.db2.gz HVYCYASEHJRNED-WDEREUQCSA-N 1 0 394.488 2.583 20 0 GFADRO CC(C)[NH+](CCNC(=O)C1CCN(C(=O)[C@@H]2CC2(Cl)Cl)CC1)C(C)C ZINC000921027786 664535721 /nfs/dbraw/zinc/53/57/21/664535721.db2.gz GNMNRBJHGLMQIC-HNNXBMFYSA-N 1 0 392.371 2.654 20 0 GFADRO CN(C)c1cc[nH+]c(CNS(=O)(=O)Cc2cccc(Br)c2)c1 ZINC000921026101 664535806 /nfs/dbraw/zinc/53/58/06/664535806.db2.gz VPLCESQWDBHGRH-UHFFFAOYSA-N 1 0 384.299 2.530 20 0 GFADRO CCn1c(C[NH2+]CC2(CCO)CC2)nc(Br)c1Br ZINC000922022209 664581648 /nfs/dbraw/zinc/58/16/48/664581648.db2.gz QRRJZTYTVNISAI-UHFFFAOYSA-N 1 0 381.112 2.680 20 0 GFADRO CCn1c(C[NH2+]C[C@H]2CC[C@H](O)C2)nc(Br)c1Br ZINC000922044311 664582536 /nfs/dbraw/zinc/58/25/36/664582536.db2.gz NAFMVUDZNVDJJZ-IUCAKERBSA-N 1 0 381.112 2.679 20 0 GFADRO Cc1cc(C[NH2+]Cc2cnc3n2CCOC3)ccc1I ZINC000922093822 664585440 /nfs/dbraw/zinc/58/54/40/664585440.db2.gz GZOAVGDTHJYORN-UHFFFAOYSA-N 1 0 383.233 2.616 20 0 GFADRO CCn1c(CNC(=O)N[C@H]2CC[N@H+](C)[C@@H]2C)nc2cc(Br)ccc21 ZINC000922181291 664589058 /nfs/dbraw/zinc/58/90/58/664589058.db2.gz PHBTVJDJZLKNJY-YPMHNXCESA-N 1 0 394.317 2.711 20 0 GFADRO Fc1cc2[nH]c(C[NH2+][C@@H]3CCc4nnnn4CC3)cc2c(Br)c1 ZINC000922196857 664589848 /nfs/dbraw/zinc/58/98/48/664589848.db2.gz ZQDSVJVMVPQWGM-SNVBAGLBSA-N 1 0 379.237 2.551 20 0 GFADRO Cc1cccc(C[NH2+][C@@H]2CCC(=O)N[C@H]2c2cncn2C)c1Br ZINC000922223358 664590576 /nfs/dbraw/zinc/59/05/76/664590576.db2.gz NTEXBOBBVKGIKF-CXAGYDPISA-N 1 0 377.286 2.601 20 0 GFADRO Cn1nc2c(c1C[NH2+][C@H]1CCc3cc(Br)ccc3NC1=O)CCC2 ZINC000922335639 664595338 /nfs/dbraw/zinc/59/53/38/664595338.db2.gz MMLKEUYSRSYGMS-INIZCTEOSA-N 1 0 389.297 2.714 20 0 GFADRO CON(C)C(=O)C[NH2+][C@H](C)CC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000922380740 664597866 /nfs/dbraw/zinc/59/78/66/664597866.db2.gz ZPUABXPRIPLFCU-SECBINFHSA-N 1 0 381.782 2.685 20 0 GFADRO Cc1ccnc(CN[C@@H]2C[C@]3(C[N@@H+](C)[C@@H]3C(C)C)C[C@H]2O)c1Br ZINC000922391373 664598540 /nfs/dbraw/zinc/59/85/40/664598540.db2.gz VRJFIGBMUFPQMI-MOIQIXESSA-N 1 0 382.346 2.722 20 0 GFADRO CCn1ccnc1[C@@H]1OCC[C@H]1[NH2+]Cc1cn2ccc(Br)cc2n1 ZINC000922403067 664599938 /nfs/dbraw/zinc/59/99/38/664599938.db2.gz TXCWPIWOVAYYGY-GDBMZVCRSA-N 1 0 390.285 2.933 20 0 GFADRO Cn1nccc1[C@@H]1[C@@H]([NH2+]Cc2ccccc2Br)CCC(=O)N1C ZINC000922405994 664600153 /nfs/dbraw/zinc/60/01/53/664600153.db2.gz GHRJXGJWTGYRNZ-YOEHRIQHSA-N 1 0 377.286 2.634 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH2+]C1CC(CC(N)=O)C1 ZINC000922510000 664605086 /nfs/dbraw/zinc/60/50/86/664605086.db2.gz AWTCVGUMLOCIGV-UHFFFAOYSA-N 1 0 391.313 2.995 20 0 GFADRO CSC1(CNC(=O)N2CCC[C@H](Cc3nccs3)C2)CC[NH+](C)CC1 ZINC000922530416 664605980 /nfs/dbraw/zinc/60/59/80/664605980.db2.gz YGOZQLVCRSOXGV-OAHLLOKOSA-N 1 0 382.599 2.935 20 0 GFADRO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NC(=O)NC[C@@]3(C)CC3(Cl)Cl)C2)[C@@H]1C(C)C ZINC000922708814 664611468 /nfs/dbraw/zinc/61/14/68/664611468.db2.gz IUXLSBNNCCALQY-WDTWZTHCSA-N 1 0 392.371 2.739 20 0 GFADRO CCOc1c(Br)cc(C[NH2+]C[C@@H]2C[C@@H]3COC[C@@H]3O2)cc1OC ZINC000922727536 664612241 /nfs/dbraw/zinc/61/22/41/664612241.db2.gz AEUKRVROLJZRNH-WWGRRREGSA-N 1 0 386.286 2.750 20 0 GFADRO C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1C[NH2+]CC(C)(C)CS(C)(=O)=O ZINC000922739191 664613040 /nfs/dbraw/zinc/61/30/40/664613040.db2.gz DIXIMCCQZRGWNR-CABCVRRESA-N 1 0 376.563 2.540 20 0 GFADRO Cc1nc2c(cccc2CC[NH2+]Cc2cn(C)nc2I)o1 ZINC000922771407 664614045 /nfs/dbraw/zinc/61/40/45/664614045.db2.gz NWFCHJIYSOKNFU-UHFFFAOYSA-N 1 0 396.232 2.807 20 0 GFADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+][C@@H]1CCS[C@@H](C)C1 ZINC000922844727 664616283 /nfs/dbraw/zinc/61/62/83/664616283.db2.gz YRZADHZVJXQHLJ-CYZMBNFOSA-N 1 0 377.963 2.578 20 0 GFADRO Ic1cccc(C[NH2+]C[C@@H]2CCN2C2CCOCC2)c1 ZINC000922953254 664619824 /nfs/dbraw/zinc/61/98/24/664619824.db2.gz OQDDJPLVKWCBHS-INIZCTEOSA-N 1 0 386.277 2.634 20 0 GFADRO Cc1cc(Br)cn2c(C[NH2+]C[C@@H]3CCN3C3CCOCC3)cnc12 ZINC000922951849 664619846 /nfs/dbraw/zinc/61/98/46/664619846.db2.gz BFRZXAYQXDQHDF-INIZCTEOSA-N 1 0 393.329 2.748 20 0 GFADRO CC(C)(C)OC(=O)N[C@@H](C[NH2+]Cc1nc2c(s1)COCC2)CC(F)F ZINC000922961039 664620072 /nfs/dbraw/zinc/62/00/72/664620072.db2.gz XSRPRFHZULLGDN-SNVBAGLBSA-N 1 0 377.457 2.854 20 0 GFADRO O=C(Nc1cc(Br)cc2c1NC(=O)CO2)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000923024894 664621498 /nfs/dbraw/zinc/62/14/98/664621498.db2.gz IXMPBMWYPAQYFU-YPMHNXCESA-N 1 0 394.269 2.735 20 0 GFADRO Cn1nc2cc(Br)ccc2c1C(=O)N1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000923262993 664626911 /nfs/dbraw/zinc/62/69/11/664626911.db2.gz FLAIITHUBOIAAL-QWHCGFSZSA-N 1 0 377.286 2.645 20 0 GFADRO C[C@@H](C(=O)N1[C@@H]2CC[C@H]1C[N@H+](C)CC2)N1C(=S)N=NC1c1cccs1 ZINC000923297692 664627717 /nfs/dbraw/zinc/62/77/17/664627717.db2.gz PGVLQODOLUBSQX-XQQFMLRXSA-N 1 0 377.539 2.551 20 0 GFADRO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)N(C)Cc1ncc(Br)cn1 ZINC000923306371 664627817 /nfs/dbraw/zinc/62/78/17/664627817.db2.gz LFGNCEUPSXFDCW-ZDUSSCGKSA-N 1 0 384.322 2.501 20 0 GFADRO Cc1ccc(Cl)c(OC[C@H](O)CN2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1 ZINC000923400298 664629844 /nfs/dbraw/zinc/62/98/44/664629844.db2.gz ABMNAGIVSRSEPO-MJBXVCDLSA-N 1 0 380.838 2.847 20 0 GFADRO C[C@@H]1[C@H](C)[NH2+]C[C@H](C)N1Cc1csc(-c2ccc(S(C)(=O)=O)cc2)n1 ZINC000923437704 664630599 /nfs/dbraw/zinc/63/05/99/664630599.db2.gz VSAADUUZBNPOFQ-MELADBBJSA-N 1 0 379.551 2.784 20 0 GFADRO CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NCc1cnc(Br)cn1 ZINC000923531803 664632864 /nfs/dbraw/zinc/63/28/64/664632864.db2.gz KXBAZVISJIFDTC-UHFFFAOYSA-N 1 0 392.301 2.642 20 0 GFADRO [NH3+]C[C@H]1CN(S(=O)(=O)c2cnc(-c3ccccc3)s2)C[C@@H]1C(F)(F)F ZINC000923673041 664635353 /nfs/dbraw/zinc/63/53/53/664635353.db2.gz YYDVWUBJLJJVJW-RYUDHWBXSA-N 1 0 391.440 2.568 20 0 GFADRO CC(C)Oc1ccc(F)cc1S(=O)(=O)N1CC[C@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000923678527 664635443 /nfs/dbraw/zinc/63/54/43/664635443.db2.gz YXCJUAYGVCGMGG-NWDGAFQWSA-N 1 0 384.395 2.513 20 0 GFADRO CC(C)Oc1ccc(F)cc1S(=O)(=O)N1CC[C@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000923678528 664635454 /nfs/dbraw/zinc/63/54/54/664635454.db2.gz YXCJUAYGVCGMGG-RYUDHWBXSA-N 1 0 384.395 2.513 20 0 GFADRO [NH3+][C@H]1CN(S(=O)(=O)c2cnc(-c3ccccc3)s2)CC[C@H]1C(F)(F)F ZINC000923677225 664635470 /nfs/dbraw/zinc/63/54/70/664635470.db2.gz GHKFKWRAZAUNMF-NEPJUHHUSA-N 1 0 391.440 2.710 20 0 GFADRO CC(C)c1ccc(Cl)c(S(=O)(=O)N2CCC3(CO[C@H](C[NH3+])C3)CC2)c1 ZINC000923686795 664635713 /nfs/dbraw/zinc/63/57/13/664635713.db2.gz GKGVTKOEHIHWIE-HNNXBMFYSA-N 1 0 386.945 2.982 20 0 GFADRO C[C@H]1CN(S(=O)(=O)c2ccc(Br)cc2Cl)CC[C@@H]1C[NH3+] ZINC000923699912 664636352 /nfs/dbraw/zinc/63/63/52/664636352.db2.gz QCULTJGWQGVFHT-VHSXEESVSA-N 1 0 381.723 2.708 20 0 GFADRO C[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2Br)CC[C@@H]1C[NH3+] ZINC000923701935 664636456 /nfs/dbraw/zinc/63/64/56/664636456.db2.gz JDVJHVJOYATGLZ-NXEZZACHSA-N 1 0 381.723 2.708 20 0 GFADRO C[C@H]1CN(S(=O)(=O)Cc2cccc(Cl)c2Br)CC[C@@H]1C[NH3+] ZINC000923704222 664636569 /nfs/dbraw/zinc/63/65/69/664636569.db2.gz UARXMLULULTFRY-WDEREUQCSA-N 1 0 395.750 2.849 20 0 GFADRO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)NCc1cnc(Cl)cn1 ZINC000923713710 664636889 /nfs/dbraw/zinc/63/68/89/664636889.db2.gz QDZVQGSVJYMVNF-UHFFFAOYSA-N 1 0 381.830 2.936 20 0 GFADRO Cc1ccc(S(=O)(=O)N2C[C@@H](C[C@@H]3COCC[NH2+]3)c3ccccc32)s1 ZINC000923747837 664637757 /nfs/dbraw/zinc/63/77/57/664637757.db2.gz YJJFLZHHNCUIFS-HUUCEWRRSA-N 1 0 378.519 2.728 20 0 GFADRO C[NH+]1CCC(OCC(=O)OCc2cc(Br)cc(F)c2F)CC1 ZINC000923786193 664637865 /nfs/dbraw/zinc/63/78/65/664637865.db2.gz QCULEZHQCBWUGJ-UHFFFAOYSA-N 1 0 378.213 2.881 20 0 GFADRO C[NH+]1CCC(OCC(=O)OCc2nc3ccc(Br)cc3o2)CC1 ZINC000923787866 664638013 /nfs/dbraw/zinc/63/80/13/664638013.db2.gz XFXWEQCXLLNOEU-UHFFFAOYSA-N 1 0 383.242 2.744 20 0 GFADRO CC[N@@H+]1CC[C@@H]1CNC(=O)N1CCCC[C@H]1c1ncc(Br)cn1 ZINC000924022469 664644719 /nfs/dbraw/zinc/64/47/19/664644719.db2.gz RPGKTOOGHFPUGD-KGLIPLIRSA-N 1 0 382.306 2.570 20 0 GFADRO C[NH+](C)CCN(Cc1cccs1)C(=O)NC[C@H]1CC[C@@H](C(F)(F)F)O1 ZINC000924501653 664656252 /nfs/dbraw/zinc/65/62/52/664656252.db2.gz DWOFAKOOTJJDPN-OCCSQVGLSA-N 1 0 379.448 2.931 20 0 GFADRO C[C@H]([NH2+]CCCN1C(=O)NC2(CCCC2)C1=O)c1cccc(Br)n1 ZINC000924579160 664658637 /nfs/dbraw/zinc/65/86/37/664658637.db2.gz VMLVQCQMRXIUDD-LBPRGKRZSA-N 1 0 395.301 2.749 20 0 GFADRO C[C@@H](C[C@H]1CCC(=O)N1)[NH2+]Cc1nnc2c(Cl)cc(C(F)(F)F)cn12 ZINC000924623889 664659102 /nfs/dbraw/zinc/65/91/02/664659102.db2.gz OTQCJMQUOVXONA-WCBMZHEXSA-N 1 0 375.782 2.548 20 0 GFADRO CNC(=O)COc1cccc(C[NH2+][C@@H](C)c2cccc(Br)n2)c1 ZINC000924714571 664660329 /nfs/dbraw/zinc/66/03/29/664660329.db2.gz CKWIQRIRERLWLM-LBPRGKRZSA-N 1 0 378.270 2.820 20 0 GFADRO CNS(=O)(=O)Cc1ccc(C[NH2+][C@@H](C)c2cccc(Br)n2)cc1 ZINC000924736867 664660525 /nfs/dbraw/zinc/66/05/25/664660525.db2.gz IXIKOYOQKVHCCO-LBPRGKRZSA-N 1 0 398.326 2.744 20 0 GFADRO CSC[C@@H]1NC(=O)N(C[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)C1=O ZINC000924740977 664660675 /nfs/dbraw/zinc/66/06/75/664660675.db2.gz HDEDKLXNSJHBSY-UGFHNGPFSA-N 1 0 385.892 2.755 20 0 GFADRO O[C@@H](CN[C@H](c1ccc(Br)cc1)c1cccnc1)C[NH+]1CCCC1 ZINC000924758032 664661066 /nfs/dbraw/zinc/66/10/66/664661066.db2.gz SFGZYTWAODMWOB-RBUKOAKNSA-N 1 0 390.325 2.980 20 0 GFADRO C[C@@H]([NH2+]C[C@H](O)COc1ccc2c(c1)OCO2)c1cccc(Br)n1 ZINC000924777390 664661687 /nfs/dbraw/zinc/66/16/87/664661687.db2.gz JWNATZAKVMSXAX-NEPJUHHUSA-N 1 0 395.253 2.663 20 0 GFADRO C[C@H]([NH2+][C@@H](c1nccs1)c1ccccc1)C1CCN(S(C)(=O)=O)CC1 ZINC000924864395 664663060 /nfs/dbraw/zinc/66/30/60/664663060.db2.gz LLVNBIRRKUYRON-WMLDXEAASA-N 1 0 379.551 2.882 20 0 GFADRO C[NH+](C)C[C@H]1NC(=O)N([C@H]2CCCSc3ccc(Br)cc32)C1=O ZINC000925016219 664665163 /nfs/dbraw/zinc/66/51/63/664665163.db2.gz OCSXXBMTTCXUEK-OLZOCXBDSA-N 1 0 398.326 2.858 20 0 GFADRO CC[C@H]1COC[C@@H]1[NH2+]CCCNC(=O)c1cc(OC)ccc1Br ZINC000925018118 664665282 /nfs/dbraw/zinc/66/52/82/664665282.db2.gz XCLZHVXAAHQIDE-LRDDRELGSA-N 1 0 385.302 2.592 20 0 GFADRO Cc1csc(C[C@@H]2CCN(C(=O)N[C@H]3CCC[N@@H+]4CCSC[C@@H]34)C2)n1 ZINC000925170962 664667784 /nfs/dbraw/zinc/66/77/84/664667784.db2.gz SSTJWXZRAGBRKW-JYJNAYRXSA-N 1 0 380.583 2.605 20 0 GFADRO CC(C)(C)OC(=O)N[C@H]1C[C@H]2COC[C@@H](C1)[C@H]2[NH2+]C[C@@H]1CSCCS1 ZINC000925241515 664669249 /nfs/dbraw/zinc/66/92/49/664669249.db2.gz ICLKYQUVKOFZLW-YIDVYQOGSA-N 1 0 388.599 2.743 20 0 GFADRO C[C@H](CCS(C)(=O)=O)[NH2+][C@H]1C[C@H](NC(=O)OC(C)(C)C)CC(C)(C)C1 ZINC000925276563 664669657 /nfs/dbraw/zinc/66/96/57/664669657.db2.gz OTRCZSJEBXQELO-ILXRZTDVSA-N 1 0 376.563 2.871 20 0 GFADRO CCC[N@@H+]1CC[C@H](N2C(=O)[C@H](c3ccc(Br)s3)N(C)C2=O)C1 ZINC000925357948 664670879 /nfs/dbraw/zinc/67/08/79/664670879.db2.gz HZMZIVNJBZFDRU-GWCFXTLKSA-N 1 0 386.315 2.930 20 0 GFADRO C[C@@H]([NH2+]CC1CCN(S(=O)(=O)C(F)F)CC1)c1ccnn1C1CCC1 ZINC000925398555 664671912 /nfs/dbraw/zinc/67/19/12/664671912.db2.gz XBYIBTNJIATCHU-GFCCVEGCSA-N 1 0 376.473 2.523 20 0 GFADRO CN(Cc1ccccc1Br)C(=O)CCN[C@H]1CC[NH2+]C12CCC2 ZINC000925569196 664673126 /nfs/dbraw/zinc/67/31/26/664673126.db2.gz ZKOCNUIHJOJICN-INIZCTEOSA-N 1 0 380.330 2.672 20 0 GFADRO C[C@@H]1C[NH2+]C[C@H]1CNC(=O)Nc1cc(F)c(F)cc1I ZINC000926046548 664679938 /nfs/dbraw/zinc/67/99/38/664679938.db2.gz PSSBKXGPLCYXPO-SFYZADRCSA-N 1 0 395.191 2.546 20 0 GFADRO C[C@H]1CN(C(=O)Nc2cccc(F)c2I)CC[C@H]1C[NH3+] ZINC000926080480 664681099 /nfs/dbraw/zinc/68/10/99/664681099.db2.gz XAMFFDYTOZCSKP-UWVGGRQHSA-N 1 0 391.228 2.879 20 0 GFADRO COC(=O)c1cc(NC(=O)N2CC[C@H](C[NH3+])[C@@H](C)C2)ccc1Br ZINC000926085545 664681422 /nfs/dbraw/zinc/68/14/22/664681422.db2.gz WJQUZVWUAATINS-WDEREUQCSA-N 1 0 384.274 2.684 20 0 GFADRO [NH3+]CC[C@@H]1CCN(C(=O)Nc2ccnn2Cc2ccc(Br)cc2)C1 ZINC000926099156 664681760 /nfs/dbraw/zinc/68/17/60/664681760.db2.gz REAUUUHDNQZTOA-CQSZACIVSA-N 1 0 392.301 2.897 20 0 GFADRO [NH3+]C1CCN(CCNC(=O)Nc2cccc3cc(Br)cnc32)CC1 ZINC000926114935 664682162 /nfs/dbraw/zinc/68/21/62/664682162.db2.gz NKMIIOTZKYUVCI-UHFFFAOYSA-N 1 0 392.301 2.542 20 0 GFADRO Cc1c(Br)nccc1NC(=O)N1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000926128174 664682345 /nfs/dbraw/zinc/68/23/45/664682345.db2.gz ZECSLASJEBDCFK-LBPRGKRZSA-N 1 0 383.290 2.514 20 0 GFADRO Cc1nc(Cl)c(Cl)cc1C(=O)N[C@@H]1C[C@@]2(C[N@@H+](C)[C@H]2C(C)C)C[C@H]1O ZINC000926150755 664683076 /nfs/dbraw/zinc/68/30/76/664683076.db2.gz NPLGKMDNKVFBHN-BSXFFOKHSA-N 1 0 386.323 2.906 20 0 GFADRO [NH3+]Cc1cccnc1NC(=O)N1CCCC[C@@H]1c1ncc(Br)cn1 ZINC000926169494 664683611 /nfs/dbraw/zinc/68/36/11/664683611.db2.gz JQXSARRZTMBXRH-CYBMUJFWSA-N 1 0 391.273 2.852 20 0 GFADRO CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)Cc1ccc(Br)cc1)C2 ZINC000926187275 664684493 /nfs/dbraw/zinc/68/44/93/664684493.db2.gz BENFPCYIDZQPMP-RWQQGDIJSA-N 1 0 395.341 2.588 20 0 GFADRO Cc1c(C)c(NC(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)ccc1I ZINC000926203496 664684622 /nfs/dbraw/zinc/68/46/22/664684622.db2.gz RAJWLKNDIQMANP-ZYHUDNBSSA-N 1 0 391.228 2.811 20 0 GFADRO Cc1c(I)ccc(NC(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)c1C ZINC000926204859 664684781 /nfs/dbraw/zinc/68/47/81/664684781.db2.gz XOXZYMNJIJOBTB-BLLLJJGKSA-N 1 0 399.276 2.981 20 0 GFADRO [NH3+]CC12CC(C1)CN2C(=O)Nc1ccc(I)c(Cl)c1 ZINC000926219529 664684808 /nfs/dbraw/zinc/68/48/08/664684808.db2.gz QBTCYPJUMOKFRU-UHFFFAOYSA-N 1 0 391.640 2.900 20 0 GFADRO Cc1c(NC(=O)N2CCO[C@@H](C[NH3+])C2)cc(Br)cc1C(F)(F)F ZINC000926223020 664684961 /nfs/dbraw/zinc/68/49/61/664684961.db2.gz IKTCSFLUWWCYIL-JTQLQIEISA-N 1 0 396.207 2.968 20 0 GFADRO CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NC(=O)c3cc(Br)co3)C2)[C@@H]1C(C)C ZINC000926233769 664684982 /nfs/dbraw/zinc/68/49/82/664684982.db2.gz DXEONRRVOMYKKX-LNCBFAARSA-N 1 0 385.302 2.642 20 0 GFADRO CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NC(=O)c3ccc(Br)o3)C2)[C@H]1C(C)C ZINC000926263525 664685711 /nfs/dbraw/zinc/68/57/11/664685711.db2.gz SAUIFGVAWHVAQD-GADXADSLSA-N 1 0 385.302 2.642 20 0 GFADRO CN(CC[NH2+][C@@H]1CCc2c1nccc2Cl)S(=O)(=O)c1ccc(F)cc1 ZINC000926343271 664688002 /nfs/dbraw/zinc/68/80/02/664688002.db2.gz PKXWFPPVSJAYLM-MRXNPFEDSA-N 1 0 383.876 2.772 20 0 GFADRO CC(C)(C)OC(=O)NCC1CC([NH2+]CCCn2cc(Br)cn2)C1 ZINC000926430998 664689899 /nfs/dbraw/zinc/68/98/99/664689899.db2.gz BIQJDPDMSSHNLC-UHFFFAOYSA-N 1 0 387.322 2.929 20 0 GFADRO C[C@@H]([NH2+]CCCn1cc(Br)cn1)c1cnnn1-c1ccccc1 ZINC000926431429 664689914 /nfs/dbraw/zinc/68/99/14/664689914.db2.gz DNEJBBPDNQKSBA-CYBMUJFWSA-N 1 0 375.274 2.967 20 0 GFADRO Cc1ccc(C[C@H](CO)C[NH2+][C@@H]2C[C@@H](C)n3ncnc32)cc1Br ZINC000926540071 664691764 /nfs/dbraw/zinc/69/17/64/664691764.db2.gz XHTLYULQMLKHMX-IVMMDQJWSA-N 1 0 379.302 2.796 20 0 GFADRO O[C@H](C[NH2+][C@H](Cc1ccccc1Br)c1ccco1)Cn1ccnn1 ZINC000926574063 664692657 /nfs/dbraw/zinc/69/26/57/664692657.db2.gz UFPCYDSEFOBNDQ-GDBMZVCRSA-N 1 0 391.269 2.568 20 0 GFADRO CC[C@@H](C[NH2+][C@H](C)c1ccc(S(=O)(=O)CC(N)=O)cc1)CC(F)(F)F ZINC000926585931 664693011 /nfs/dbraw/zinc/69/30/11/664693011.db2.gz ANXDJWKDIVHPPM-VXGBXAGGSA-N 1 0 380.432 2.575 20 0 GFADRO C[C@H]([NH2+]C1CCN(Cc2cccc(Br)c2)CC1)c1cnnn1C ZINC000926598157 664693318 /nfs/dbraw/zinc/69/33/18/664693318.db2.gz HJYQXWUXABCURO-ZDUSSCGKSA-N 1 0 378.318 2.893 20 0 GFADRO C[C@H]([NH2+]C[C@H]1CCCN1CC(F)(F)F)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000926927725 664699212 /nfs/dbraw/zinc/69/92/12/664699212.db2.gz WUMHOIHICGFSEO-WCQYABFASA-N 1 0 382.423 2.907 20 0 GFADRO CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]CC[C@@H](N(C)C)C(F)(F)F)cc1 ZINC000926963619 664699483 /nfs/dbraw/zinc/69/94/83/664699483.db2.gz OBXFJNRIXYGHGC-SWLSCSKDSA-N 1 0 381.464 2.981 20 0 GFADRO COc1ccc(S(=O)(=O)N2CCC([NH2+][C@H]3CCS[C@H](C)C3)CC2)cc1 ZINC000927029290 664702574 /nfs/dbraw/zinc/70/25/74/664702574.db2.gz CJVWPHVSHHZHAK-ZBFHGGJFSA-N 1 0 384.567 2.722 20 0 GFADRO Cc1ccc(Cc2cnc(N3C(=O)N[C@H](C[NH+](C)C)C3=O)s2)cc1Cl ZINC000927218402 664705889 /nfs/dbraw/zinc/70/58/89/664705889.db2.gz AMOVXEBTVZMOBU-CQSZACIVSA-N 1 0 378.885 2.682 20 0 GFADRO Cc1cc(N2C(=O)N[C@@H](C[NH+]3CCCCC3)C2=O)cc(F)c1Br ZINC000927251887 664706326 /nfs/dbraw/zinc/70/63/26/664706326.db2.gz KYCJWOYDXWYRAM-ZDUSSCGKSA-N 1 0 384.249 2.807 20 0 GFADRO COc1cc(C(=O)NCc2cc(N(C)C)cc[nH+]2)cc(OC)c1Br ZINC000927705351 664714312 /nfs/dbraw/zinc/71/43/12/664714312.db2.gz FNSZUOLNARWXGM-UHFFFAOYSA-N 1 0 394.269 2.857 20 0 GFADRO Cc1c(NC(=O)C(=O)N(C)[C@@H](C)C[NH3+])cc(Br)cc1C(F)(F)F ZINC000927792340 664716021 /nfs/dbraw/zinc/71/60/21/664716021.db2.gz GVNHBMMUDWQFMX-ZETCQYMHSA-N 1 0 396.207 2.520 20 0 GFADRO [NH3+][C@H]1CN(C(=O)C(=O)Nc2cc(Cl)ccc2Cl)CC[C@@H]1C(F)(F)F ZINC000927849155 664716757 /nfs/dbraw/zinc/71/67/57/664716757.db2.gz YFVGFABMAJDVEP-WPRPVWTQSA-N 1 0 384.185 2.670 20 0 GFADRO CC1(C)CN(C(=O)C(=O)Nc2ccc(-c3ccc(Cl)s3)nc2)C[C@H]1[NH3+] ZINC000927851977 664716816 /nfs/dbraw/zinc/71/68/16/664716816.db2.gz GECQTNFKNIQGAS-CYBMUJFWSA-N 1 0 378.885 2.598 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)C(=O)NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC000927869467 664717033 /nfs/dbraw/zinc/71/70/33/664717033.db2.gz CGWNIHXBKVVNRG-CRAIPNDOSA-N 1 0 394.313 2.598 20 0 GFADRO O=C(Cc1sccc1Br)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000928079632 664721871 /nfs/dbraw/zinc/72/18/71/664721871.db2.gz JIPIXCVOKSUUOA-VXGBXAGGSA-N 1 0 375.357 2.749 20 0 GFADRO COc1ccc(C(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@@H]23)c(Br)c1 ZINC000928089421 664722492 /nfs/dbraw/zinc/72/24/92/664722492.db2.gz CVZMTSOYFJMOQX-CABCVRRESA-N 1 0 385.327 2.767 20 0 GFADRO Cc1ccc(-n2cnnc2SCC(=O)N[C@@H]2CC[N@H+](C)[C@H]2C)cc1Cl ZINC000928454597 664732835 /nfs/dbraw/zinc/73/28/35/664732835.db2.gz RMEBVTSMLAZGNE-SWLSCSKDSA-N 1 0 379.917 2.530 20 0 GFADRO C[NH+](C)CC[C@@H](NC(=O)c1c(F)cncc1Br)c1cccnc1 ZINC000928827091 664740489 /nfs/dbraw/zinc/74/04/89/664740489.db2.gz DBKLVVOCDJHGEE-CQSZACIVSA-N 1 0 381.249 2.801 20 0 GFADRO C[N@H+](CC(=O)N1CCCC[C@H]1c1ncc(Br)cn1)[C@@H]1CCSC1 ZINC000928945362 664744016 /nfs/dbraw/zinc/74/40/16/664744016.db2.gz MRLIORCNJNGYGT-KGLIPLIRSA-N 1 0 399.358 2.730 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)c1cc(Br)cn2ncnc12)c1cccs1 ZINC000929335919 664750484 /nfs/dbraw/zinc/75/04/84/664750484.db2.gz KDWLFRDDFXSUBL-GFCCVEGCSA-N 1 0 394.298 2.586 20 0 GFADRO O[C@@H](CCC1(O)CCC1)CN1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000929343320 664750762 /nfs/dbraw/zinc/75/07/62/664750762.db2.gz ABVSFPROVZERQB-DLBZAZTESA-N 1 0 384.314 2.879 20 0 GFADRO O[C@H](CCC1(O)CCC1)CN1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000929343323 664750790 /nfs/dbraw/zinc/75/07/90/664750790.db2.gz ABVSFPROVZERQB-SJORKVTESA-N 1 0 384.314 2.879 20 0 GFADRO CN1CCN(C(=O)Nc2cccc(C3SCCS3)c2)CC[N@H+](C)CC1 ZINC000929432845 664752311 /nfs/dbraw/zinc/75/23/11/664752311.db2.gz NKCNWRIMQGIOQS-UHFFFAOYSA-N 1 0 380.583 2.876 20 0 GFADRO C[C@H]1C[NH+](CCCNC(=O)c2ncc(C(F)(F)F)cc2Cl)C[C@H](C)O1 ZINC000929630315 664755112 /nfs/dbraw/zinc/75/51/12/664755112.db2.gz CXTMEHIIKQUINV-QWRGUYRKSA-N 1 0 379.810 2.983 20 0 GFADRO CC(C)c1ncc(Br)c(C(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)n1 ZINC000929632091 664755297 /nfs/dbraw/zinc/75/52/97/664755297.db2.gz UYHBDXAFDUNPMD-CHWSQXEVSA-N 1 0 399.333 2.592 20 0 GFADRO COc1cc(Br)c(NC(=O)NCC[N@@H+]2CC[C@H](C)C2)cc1OC ZINC000929915582 664759756 /nfs/dbraw/zinc/75/97/56/664759756.db2.gz JTZNFALODNCLGQ-NSHDSACASA-N 1 0 386.290 2.930 20 0 GFADRO COCC(COC)[NH+]1CCC(C(=O)Nc2cccc(Br)c2)CC1 ZINC000929955106 664760203 /nfs/dbraw/zinc/76/02/03/664760203.db2.gz LDNRWDLIRBNEGC-UHFFFAOYSA-N 1 0 385.302 2.761 20 0 GFADRO COC(=O)c1ccc(Br)c(C[N@@H+]2CCCC[C@H]2[C@H]2CNC(=O)C2)c1 ZINC000930138173 664763211 /nfs/dbraw/zinc/76/32/11/664763211.db2.gz NWKYWTBTFJNYKS-CJNGLKHVSA-N 1 0 395.297 2.726 20 0 GFADRO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2cnc(Br)c(C)c2)cc1 ZINC000930209368 664764606 /nfs/dbraw/zinc/76/46/06/664764606.db2.gz AAODLUOBERDTAP-GFCCVEGCSA-N 1 0 398.326 2.911 20 0 GFADRO O=C(NC1CC[NH+](Cc2ccc(F)cc2)CC1)c1ncc(Br)cn1 ZINC000930254545 664765362 /nfs/dbraw/zinc/76/53/62/664765362.db2.gz AXLSXGRRUSFFRS-UHFFFAOYSA-N 1 0 393.260 2.773 20 0 GFADRO C[C@H]([NH2+]CCO[C@@H]1CCOC1)c1ccc(Br)cc1OCCCO ZINC000930531888 664772424 /nfs/dbraw/zinc/77/24/24/664772424.db2.gz NXIFVIRLJBTZDX-DZGCQCFKSA-N 1 0 388.302 2.666 20 0 GFADRO COCC[N@@H+]1CCCN(C(=O)c2nccc3c(Br)cccc32)CC1 ZINC000930684288 664775993 /nfs/dbraw/zinc/77/59/93/664775993.db2.gz NQEUNXKXURVDBX-UHFFFAOYSA-N 1 0 392.297 2.792 20 0 GFADRO COc1cc(NC(=O)N2CC[C@@H]3C[N@H+](C)C[C@H]32)cc(OC)c1Br ZINC000930712170 664776918 /nfs/dbraw/zinc/77/69/18/664776918.db2.gz SKXSPZGCDSLIJV-ZYHUDNBSSA-N 1 0 384.274 2.634 20 0 GFADRO COc1cc(NC(=O)N2C[C@@H]3C[N@H+](C)C[C@]3(C)C2)cc(OC)c1Br ZINC000930711767 664776971 /nfs/dbraw/zinc/77/69/71/664776971.db2.gz NYVLFSGXSFJKCP-APPDUMDISA-N 1 0 398.301 2.882 20 0 GFADRO Cc1nc(NC(=O)NC[C@@H]2CC[N@@H+]2C2CCOCC2)ccc1Br ZINC000930856489 664779875 /nfs/dbraw/zinc/77/98/75/664779875.db2.gz XOKNWDHPUZTTMV-ZDUSSCGKSA-N 1 0 383.290 2.527 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)C[N@@H+]1[C@H](C)CC[C@@H](C(N)=O)[C@H]1C ZINC000930914607 664780912 /nfs/dbraw/zinc/78/09/12/664780912.db2.gz ISLJTKBWHLBBER-YRGRVCCFSA-N 1 0 382.302 2.670 20 0 GFADRO O[C@H](CCC1(O)CCC1)C[NH+]1CCN(c2ccc(Br)cc2)CC1 ZINC000930995057 664782521 /nfs/dbraw/zinc/78/25/21/664782521.db2.gz ZSKGFSMSMFOFAQ-QGZVFWFLSA-N 1 0 383.330 2.627 20 0 GFADRO CCCCN(Cc1nnc(S(C)(=O)=O)s1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000931034804 664783677 /nfs/dbraw/zinc/78/36/77/664783677.db2.gz XOLVARAYMFCTLU-UHFFFAOYSA-N 1 0 388.603 2.853 20 0 GFADRO C[C@]1(CO)C[N@@H+](CCCCOc2ccc(Br)cc2)C[C@@]1(C)CO ZINC000931257226 664789388 /nfs/dbraw/zinc/78/93/88/664789388.db2.gz WHZFQKCEZKKVFX-HDICACEKSA-N 1 0 386.330 2.921 20 0 GFADRO C[NH+]1C[C@]2(C)CN(Cc3nnc(-c4ccc(Br)o4)o3)C[C@@]2(C)C1 ZINC000931305053 664791079 /nfs/dbraw/zinc/79/10/79/664791079.db2.gz TZFHNWULFTWWIC-HZPDHXFCSA-N 1 0 381.274 2.866 20 0 GFADRO COc1c(C)[nH]cc(C[N@H+](C)C[C@H](O)c2ccc(F)c(Br)c2)c1=O ZINC000931325864 664791923 /nfs/dbraw/zinc/79/19/23/664791923.db2.gz VGUNSARHNKYTJT-HNNXBMFYSA-N 1 0 399.260 2.759 20 0 GFADRO Cn1cc(C2=NC[C@@H](C[NH2+][C@H](CCO)c3cc(Cl)cc(Cl)c3)O2)cn1 ZINC000931331549 664792071 /nfs/dbraw/zinc/79/20/71/664792071.db2.gz SFEZAIPZEGUZNC-HZPDHXFCSA-N 1 0 383.279 2.586 20 0 GFADRO Cc1cc(Br)nc(NC(=O)NC[C@H]2CC[N@@H+]2C2CCOCC2)c1 ZINC000931688105 664802661 /nfs/dbraw/zinc/80/26/61/664802661.db2.gz COBXAGUHUDQHBL-CYBMUJFWSA-N 1 0 383.290 2.527 20 0 GFADRO Cc1[nH]nc(Br)c1C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000931903911 664807155 /nfs/dbraw/zinc/80/71/55/664807155.db2.gz CXIUSDHTBJCDKB-HNNXBMFYSA-N 1 0 391.313 2.775 20 0 GFADRO C[C@]1([C@H]2CCC[N@H+](CC(=O)Nc3ccc(Br)cc3)C2)COC(=O)N1 ZINC000932025172 664809070 /nfs/dbraw/zinc/80/90/70/664809070.db2.gz XFNYOZFMDYNYOI-YVEFUNNKSA-N 1 0 396.285 2.598 20 0 GFADRO COc1cc(Br)cc(C(=O)NCC2([NH+]3CCCC3)CCOCC2)c1 ZINC000932049999 664809448 /nfs/dbraw/zinc/80/94/48/664809448.db2.gz PRTIXMVCLIPPJC-UHFFFAOYSA-N 1 0 397.313 2.833 20 0 GFADRO COC(=O)C[C@@H]1C[N@H+](C[C@H](O)COc2c(Cl)cccc2Cl)C[C@H]1C ZINC000932112754 664810302 /nfs/dbraw/zinc/81/03/02/664810302.db2.gz XQWDNYHCPHBYNM-UPJWGTAASA-N 1 0 376.280 2.864 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCOc2ccc(Br)cc21)C(=O)NC[C@H]1CCCO1 ZINC000932212003 664813900 /nfs/dbraw/zinc/81/39/00/664813900.db2.gz LFKZKZOZRSQFFA-NJZAAPMLSA-N 1 0 383.286 2.546 20 0 GFADRO C[N@@H+]1C[C@@H]2CN(C(=O)Nc3c4c(ccc3Br)OCC4)C[C@]2(C)C1 ZINC000932218850 664814386 /nfs/dbraw/zinc/81/43/86/664814386.db2.gz YDSNCVHCTIYFPX-DIFFPNOSSA-N 1 0 380.286 2.799 20 0 GFADRO CC[NH+](CC)[C@@H](CNC(=O)c1cc(=O)n(C)cc1Br)CC(C)C ZINC000932692934 664832025 /nfs/dbraw/zinc/83/20/25/664832025.db2.gz IAXDEOCHKNMKTI-CYBMUJFWSA-N 1 0 386.334 2.634 20 0 GFADRO O=c1ccccn1CC[N@H+]1CCC[C@](O)(c2ccc(Br)cc2)C1 ZINC000932809738 664839498 /nfs/dbraw/zinc/83/94/98/664839498.db2.gz LUWRJTSGRZIAGV-GOSISDBHSA-N 1 0 377.282 2.594 20 0 GFADRO O=C1NC[C@H](O)CC12CC[NH+](CC/C=C\c1ccc(Br)cc1)CC2 ZINC000932842197 664841569 /nfs/dbraw/zinc/84/15/69/664841569.db2.gz RGIAUMYZZJZMIK-YKUAXSNGSA-N 1 0 393.325 2.815 20 0 GFADRO COC(=O)c1ccc(C[NH+]2CCC3(CC2)C[C@H](O)CCO3)c(Br)c1 ZINC000933054150 664848265 /nfs/dbraw/zinc/84/82/65/664848265.db2.gz GONHHNKNJKXVPL-OAHLLOKOSA-N 1 0 398.297 2.742 20 0 GFADRO O=C(CC[NH+]1CCC2(CC1)C[C@H](O)CCO2)Nc1ccc(Br)cc1 ZINC000933060611 664848701 /nfs/dbraw/zinc/84/87/01/664848701.db2.gz PLQGWDKRUSZOKR-MRXNPFEDSA-N 1 0 397.313 2.784 20 0 GFADRO O=C(NCCC[NH+]1CCC(O)CC1)c1nccc2c(Br)cccc21 ZINC000933133747 664850596 /nfs/dbraw/zinc/85/05/96/664850596.db2.gz IKQURBJBKQSQEB-UHFFFAOYSA-N 1 0 392.297 2.574 20 0 GFADRO COCC[N@@H+]1CC[C@@H](NC(=O)Nc2c(F)ccc(Br)c2F)C1 ZINC000933290727 664855063 /nfs/dbraw/zinc/85/50/63/664855063.db2.gz VHNYYHIOZHWDIZ-SECBINFHSA-N 1 0 378.217 2.570 20 0 GFADRO O=C(NC[C@@H]1CCC[N@H+]1CCCO)Nc1c(F)ccc(Br)c1F ZINC000933302687 664857340 /nfs/dbraw/zinc/85/73/40/664857340.db2.gz ZVONJGYOGRGUMZ-JTQLQIEISA-N 1 0 392.244 2.696 20 0 GFADRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1cnnn1-c1cccc(Cl)c1Cl ZINC000933433256 664863566 /nfs/dbraw/zinc/86/35/66/664863566.db2.gz CSJHWIJNISYGPR-WCQYABFASA-N 1 0 382.295 2.986 20 0 GFADRO C[C@H]1C[C@@H](N(C)C(=O)c2cc3cc(Br)cnc3n2C)CC[N@@H+]1C ZINC000933438703 664864270 /nfs/dbraw/zinc/86/42/70/664864270.db2.gz BQEHZFQXCITFHF-FZMZJTMJSA-N 1 0 379.302 2.891 20 0 GFADRO C[C@@](CO)(Cc1ccc(Br)cc1)[NH2+]Cc1noc2c1COCC2 ZINC000933440780 664864680 /nfs/dbraw/zinc/86/46/80/664864680.db2.gz NTPNIMNBXAUZQV-KRWDZBQOSA-N 1 0 381.270 2.593 20 0 GFADRO O=C(CC[N@@H+]1CCOC[C@@H]1C[C@@H]1CCOC1)Nc1cccc(Br)c1 ZINC000933675566 664872401 /nfs/dbraw/zinc/87/24/01/664872401.db2.gz PNAZMYJROIHCKP-YOEHRIQHSA-N 1 0 397.313 2.905 20 0 GFADRO CC[NH+](CC)C[C@@H]1CCN(C(=O)c2ccc3c(Br)cnn3c2)C1 ZINC000933771109 664877654 /nfs/dbraw/zinc/87/76/54/664877654.db2.gz PCXPZEUCDSMQIF-ZDUSSCGKSA-N 1 0 379.302 2.901 20 0 GFADRO CCOC(=O)C1([C@@H](C)[NH2+][C@@H](C)c2ncc(Br)cn2)CCOCC1 ZINC000933883682 664879729 /nfs/dbraw/zinc/87/97/29/664879729.db2.gz KIEHNQHLJGLIKM-NWDGAFQWSA-N 1 0 386.290 2.638 20 0 GFADRO Cn1cc([C@H]2CSCCC[N@@H+]2C[C@@H](O)COc2ccc(Cl)cc2)cn1 ZINC000933977491 664883291 /nfs/dbraw/zinc/88/32/91/664883291.db2.gz BOKGZXDSMZTQEE-SJLPKXTDSA-N 1 0 381.929 2.993 20 0 GFADRO COCCOc1ccc(NC(=O)N[C@@H]2CCC[N@H+](C)C2)cc1Br ZINC000933984948 664884760 /nfs/dbraw/zinc/88/47/60/664884760.db2.gz DDIHSECHVLRIEQ-CYBMUJFWSA-N 1 0 386.290 2.690 20 0 GFADRO C[C@H](NC(=O)C[N@@H+]1CCCCCNC(=O)CC1)c1ccc(Br)cc1 ZINC000934161966 664891121 /nfs/dbraw/zinc/89/11/21/664891121.db2.gz COPYBWSHJMUVQO-AWEZNQCLSA-N 1 0 396.329 2.619 20 0 GFADRO C[C@@H](Cc1cccnc1)[NH2+]CCS(=O)(=O)c1cccc(Br)c1 ZINC000934237047 664892979 /nfs/dbraw/zinc/89/29/79/664892979.db2.gz UKDNRSVIIXFZMQ-ZDUSSCGKSA-N 1 0 383.311 2.839 20 0 GFADRO C[C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000934260973 664895072 /nfs/dbraw/zinc/89/50/72/664895072.db2.gz BTEXNRNYKPYXIR-OAUYIBNBSA-N 1 0 386.323 2.851 20 0 GFADRO O=C(CCC[N@H+]1CC[C@H]2[C@H]1CCCN2CCO)c1ccc(Br)cc1 ZINC000934270574 664896695 /nfs/dbraw/zinc/89/66/95/664896695.db2.gz XAUAEAJWHCXGBR-MSOLQXFVSA-N 1 0 395.341 2.943 20 0 GFADRO C[C@@](CO)([NH2+]C[C@@H]1CC2(CO1)CCOCC2)c1cccc(Br)c1 ZINC000934494444 664908612 /nfs/dbraw/zinc/90/86/12/664908612.db2.gz INFIELGKJZDIJM-IRXDYDNUSA-N 1 0 384.314 2.832 20 0 GFADRO O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)c1cc(Br)cnc1C1CC1 ZINC000934723379 664915844 /nfs/dbraw/zinc/91/58/44/664915844.db2.gz CQHSDHCMDNYOTE-HNNXBMFYSA-N 1 0 394.313 2.705 20 0 GFADRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2nc(Br)c3ccccn32)C1 ZINC000934950858 664931424 /nfs/dbraw/zinc/93/14/24/664931424.db2.gz MTOORGJBXZEZSJ-OLZOCXBDSA-N 1 0 377.286 2.653 20 0 GFADRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)c2ncc(Br)cn2)CC1 ZINC000935030837 664935063 /nfs/dbraw/zinc/93/50/63/664935063.db2.gz IPEDYAFUJBHOGE-GFCCVEGCSA-N 1 0 390.285 2.590 20 0 GFADRO C[NH+]1CCC([C@H]2CCN(C(=O)c3ccc4c(Br)cnn4c3)C2)CC1 ZINC000935085335 664938978 /nfs/dbraw/zinc/93/89/78/664938978.db2.gz POAJSHRURWDGTG-AWEZNQCLSA-N 1 0 391.313 2.901 20 0 GFADRO CC[NH+](CC)CCN(C(=O)c1ccsc1C(F)F)[C@@H]1CCS(=O)(=O)C1 ZINC000935092567 664939331 /nfs/dbraw/zinc/93/93/31/664939331.db2.gz KWZCFXUUTOQMDO-GFCCVEGCSA-N 1 0 394.509 2.657 20 0 GFADRO C[C@H](NC(=O)c1cc(=O)n(C)cc1Br)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000935314335 664953014 /nfs/dbraw/zinc/95/30/14/664953014.db2.gz CYQUOGXFKGAGBS-STQMWFEESA-N 1 0 396.329 2.531 20 0 GFADRO Cc1ccc2[nH]c(C(=O)N3CCC[C@@](O)(C[NH+](C)C)C3)cc2c1Br ZINC000935678804 664980574 /nfs/dbraw/zinc/98/05/74/664980574.db2.gz FZLKINDJYRMZTI-GOSISDBHSA-N 1 0 394.313 2.768 20 0 GFADRO O=C(NCC[N@H+]1CC=CCC1)c1cc(Br)cnc1Br ZINC000935748939 664986337 /nfs/dbraw/zinc/98/63/37/664986337.db2.gz KJZHVTOENGSALA-UHFFFAOYSA-N 1 0 389.091 2.598 20 0 GFADRO Cc1c(Br)ccc(F)c1C(=O)N1C[C@H](N2CCOCC2)C[C@@H]1C ZINC000935930455 664999206 /nfs/dbraw/zinc/99/92/06/664999206.db2.gz AHYIBOLQFMYVIP-WCQYABFASA-N 1 0 385.277 2.832 20 0 GFADRO Cc1ccc(Br)c2[nH]c(C(=O)N3CC[C@H]([N@@H+]4CC[C@@H](O)C4)C3)cc21 ZINC000935985806 665002686 /nfs/dbraw/zinc/00/26/86/665002686.db2.gz QWNCCSYFAKSENN-QWHCGFSZSA-N 1 0 392.297 2.520 20 0 GFADRO C[NH+]1CCC(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2csc(Cl)c2)C3)CC1 ZINC000996384849 665030702 /nfs/dbraw/zinc/03/07/02/665030702.db2.gz ARIOCLQSDMCHRF-ILXRZTDVSA-N 1 0 381.929 2.605 20 0 GFADRO C[NH+](C)C1(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2cc(Cl)cs2)C3)CCC1 ZINC000996387998 665030900 /nfs/dbraw/zinc/03/09/00/665030900.db2.gz NZYSZNOLRWEONN-RDBSUJKOSA-N 1 0 381.929 2.748 20 0 GFADRO C[C@@H]1[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2csc(Cl)c2)C3)CC[N@@H+]1C ZINC000996389364 665031407 /nfs/dbraw/zinc/03/14/07/665031407.db2.gz KOUZPPIVDPFWDS-OLOXDWRXSA-N 1 0 381.929 2.603 20 0 GFADRO C[C@@H]1CCC[N@@H+]1CC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccsc1Cl)C2 ZINC000996389819 665031564 /nfs/dbraw/zinc/03/15/64/665031564.db2.gz ONMJHEGXKWYSLI-UXOAXIEHSA-N 1 0 381.929 2.748 20 0 GFADRO C[NH+](C)C1(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cc(Cl)cs2)C3)CCC1 ZINC001002615059 665055724 /nfs/dbraw/zinc/05/57/24/665055724.db2.gz NZYSZNOLRWEONN-MCIONIFRSA-N 1 0 381.929 2.748 20 0 GFADRO C[NH+]1CCC(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2sccc2Cl)C3)CC1 ZINC001003324777 665059261 /nfs/dbraw/zinc/05/92/61/665059261.db2.gz CQKRLAUKBVLOON-YUELXQCFSA-N 1 0 381.929 2.605 20 0 GFADRO Cc1csc(Cl)c1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1CCC[N@H+]1C ZINC001004825547 665065658 /nfs/dbraw/zinc/06/56/58/665065658.db2.gz NALPWLRDLBWQLB-MQYQWHSLSA-N 1 0 381.929 2.666 20 0 GFADRO C[C@H]1CCC[N@@H+]1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cscc1Cl ZINC001006281923 665069839 /nfs/dbraw/zinc/06/98/39/665069839.db2.gz WTEVHZXPUPWHIT-OJDYBEQGSA-N 1 0 381.929 2.748 20 0 GFADRO C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2csc(Cl)c2)C1 ZINC001006289615 665069888 /nfs/dbraw/zinc/06/98/88/665069888.db2.gz RNLAMCCFXTXOTE-NGFQHRJXSA-N 1 0 381.929 2.605 20 0 GFADRO C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2cc(Cl)cs2)C1 ZINC001006290310 665069935 /nfs/dbraw/zinc/06/99/35/665069935.db2.gz WVZXDAZFRGDDRH-NGFQHRJXSA-N 1 0 381.929 2.605 20 0 GFADRO O=C([C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)N1CC[C@H]([NH2+]Cc2csc(Br)c2)C1 ZINC001019168767 665072893 /nfs/dbraw/zinc/07/28/93/665072893.db2.gz VFUUVGQNFWUNQB-GNIPQWQFSA-N 1 0 397.338 2.625 20 0 GFADRO O=C(N[C@H]1CC[C@H]([NH2+]Cc2csc(Cl)n2)CC1)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001034692603 665075606 /nfs/dbraw/zinc/07/56/06/665075606.db2.gz XRWRFCKHEMNYTQ-ZFRLAYEQSA-N 1 0 381.929 2.737 20 0 GFADRO O=C([C@@H]1C[C@@H]2C=C[C@H]1CC2)N1CCO[C@@H](C[NH2+]Cc2cnc(Cl)s2)C1 ZINC001051624947 665078015 /nfs/dbraw/zinc/07/80/15/665078015.db2.gz WIEOUZRUDCKLRT-ORIJERBGSA-N 1 0 381.929 2.716 20 0 GFADRO Cc1nc(Cl)ccc1S(=O)(=O)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000389978976 677673026 /nfs/dbraw/zinc/67/30/26/677673026.db2.gz HJGGVPDIYNZPPY-BBRMVZONSA-N 1 0 379.913 2.842 20 0 GFADRO CS(=O)(=O)[C@@H]1CCC[C@@H]([NH2+]C[C@@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000579824619 677673594 /nfs/dbraw/zinc/67/35/94/677673594.db2.gz OPXGCLNYKLXPNQ-MGPQQGTHSA-N 1 0 396.336 2.679 20 0 GFADRO O=C(Nc1ccc(Br)cn1)[C@H]1CCC[N@@H+](Cc2ncccc2O)C1 ZINC000580258991 677674033 /nfs/dbraw/zinc/67/40/33/677674033.db2.gz RWGHDFRLDJMGTR-LBPRGKRZSA-N 1 0 391.269 2.795 20 0 GFADRO [NH3+]CC1(F)CCN(C(F)(F)c2nc(Cl)ncc2C(=O)OCC2CC2)CC1 ZINC001164393731 718812664 /nfs/dbraw/zinc/81/26/64/718812664.db2.gz UYIJKWMWFDJEOA-UHFFFAOYSA-N 1 0 392.809 2.509 20 0 GFADRO OC[C@@]12C[NH2+]C[C@@H]1CN(C(F)(F)Oc1ccc(-c3ccnc(Cl)c3)cc1)C2 ZINC001164409507 718851943 /nfs/dbraw/zinc/85/19/43/718851943.db2.gz VKUOKEZFRVHRPH-QAPCUYQASA-N 1 0 395.837 2.845 20 0 GFADRO CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@@H]2N1C(F)(F)c1ccc(Cl)nc1Cl ZINC001164620292 719012394 /nfs/dbraw/zinc/01/23/94/719012394.db2.gz YEHOVKNWPDQLLN-MIMYLULJSA-N 1 0 380.222 2.663 20 0 GFADRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(F)(F)c1nc(Cl)c2ccccc2n1 ZINC001164615229 719013247 /nfs/dbraw/zinc/01/32/47/719013247.db2.gz HPJHKQFLLQFCLD-LEWSCRJBSA-N 1 0 396.825 2.558 20 0 GFADRO CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@H]2N1C(F)(F)c1ccc2cnc(Cl)nc2c1 ZINC001164614661 719015352 /nfs/dbraw/zinc/01/53/52/719015352.db2.gz GBDNIOPNSNQHLI-BYCMXARLSA-N 1 0 396.825 2.558 20 0 GFADRO C[N@@H+]1CCO[C@@H]2CN(c3ccc(-c4ccc(C5OCCCO5)cc4)cn3)C[C@@H]21 ZINC001164673847 719422360 /nfs/dbraw/zinc/42/23/60/719422360.db2.gz UYIUGCXVQUWBQY-VQTJNVASSA-N 1 0 381.476 2.703 20 0 GFADRO COc1cc2cnc(-n3nc(CN(C)C(C)C)c4c3C[NH2+]CC4)cc2cc1OC ZINC001164680570 719642400 /nfs/dbraw/zinc/64/24/00/719642400.db2.gz WJYFQRIBWHCJJG-UHFFFAOYSA-N 1 0 395.507 2.924 20 0 GFADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3ccncn3)CC2)c2ccccc21 ZINC001164680024 719655376 /nfs/dbraw/zinc/65/53/76/719655376.db2.gz COHHCNZRBRAAAL-GOSISDBHSA-N 1 0 393.535 2.570 20 0 GFADRO CNC(=O)C[N@@H+]1CCCC12CCN(C(F)(F)c1nc(Cl)ccc1C)CC2 ZINC001164687164 719727476 /nfs/dbraw/zinc/72/74/76/719727476.db2.gz UPYJYAITPIWBEP-UHFFFAOYSA-N 1 0 386.874 2.769 20 0 GFADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1ncnc3ccc(C(C)C)cc31)CC2 ZINC001164689589 719741156 /nfs/dbraw/zinc/74/11/56/719741156.db2.gz IKPQSUMSMZTBOT-UHFFFAOYSA-N 1 0 381.524 2.934 20 0 GFADRO CCn1cnc2c1ncnc2N1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001164706838 719898212 /nfs/dbraw/zinc/89/82/12/719898212.db2.gz LBDQUZAKCRBXLX-UHFFFAOYSA-N 1 0 398.536 2.779 20 0 GFADRO Cc1noc2ncnc(N3CCC4(CC3)C[N@H+](Cc3cccs3)CCO4)c12 ZINC001164707679 719900208 /nfs/dbraw/zinc/90/02/08/719900208.db2.gz UTNLKERPGBEAEW-UHFFFAOYSA-N 1 0 385.493 2.859 20 0 GFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1cc(Cl)ncn1)C2 ZINC001164810425 720066272 /nfs/dbraw/zinc/06/62/72/720066272.db2.gz LZDJQWNMSQSXCF-PBHICJAKSA-N 1 0 386.874 2.860 20 0 GFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ncc(C)c(N3CCCC3)n1)C2 ZINC001164806359 720066287 /nfs/dbraw/zinc/06/62/87/720066287.db2.gz BRIFOEXWFWCWJT-KNQAVFIVSA-N 1 0 385.556 2.570 20 0 GFADRO CCOC(=O)c1cc(C)cc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COC)n1 ZINC001164809269 720086121 /nfs/dbraw/zinc/08/61/21/720086121.db2.gz JEQHRUDLPJJTFA-AVRDEDQJSA-N 1 0 387.524 2.751 20 0 GFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cnc3ccc(OC)cc3n1)C2 ZINC001164809055 720117432 /nfs/dbraw/zinc/11/74/32/720117432.db2.gz GKTVZZDVSNNRHE-VGOFRKELSA-N 1 0 382.508 2.823 20 0 GFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cnc3ccc(OC)cc3n1)C2 ZINC001164809054 720118106 /nfs/dbraw/zinc/11/81/06/720118106.db2.gz GKTVZZDVSNNRHE-JTSKRJEESA-N 1 0 382.508 2.823 20 0 GFADRO CCc1cc(N2CCC3(C[C@H](COC)[N@H+](Cc4ccccn4)C3)CC2)ncn1 ZINC001164710490 720145396 /nfs/dbraw/zinc/14/53/96/720145396.db2.gz BXBIKABUGQGOGQ-HXUWFJFHSA-N 1 0 381.524 2.942 20 0 GFADRO CCOc1nccnc1N1CCC2(C[C@H](COC)[N@H+](Cc3ccccn3)C2)CC1 ZINC001164710817 720150511 /nfs/dbraw/zinc/15/05/11/720150511.db2.gz DDKJHXCGAQICSZ-LJQANCHMSA-N 1 0 397.523 2.778 20 0 GFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cc3nc(C(=O)OC)cc-3c[nH]1)C2 ZINC001164815583 720152273 /nfs/dbraw/zinc/15/22/73/720152273.db2.gz IJSVSBNSDQIBBY-HTAPYJJXSA-N 1 0 398.507 2.534 20 0 GFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ncc3ncn(C(C)C)c3n1)C2 ZINC001164813625 720170901 /nfs/dbraw/zinc/17/09/01/720170901.db2.gz CVZDHEGEJIUEQF-LAUBAEHRSA-N 1 0 384.528 2.592 20 0 GFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ccc(-c3nc(C)no3)cn1)C2 ZINC001164813021 720173780 /nfs/dbraw/zinc/17/37/80/720173780.db2.gz BUOQFZDHONGOCJ-GHTZIAJQSA-N 1 0 383.496 2.625 20 0 GFADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1ncnc3cc(F)ccc31)CCC2 ZINC001164811330 720213205 /nfs/dbraw/zinc/21/32/05/720213205.db2.gz GILCUGRULGNWQE-UHFFFAOYSA-N 1 0 396.470 2.576 20 0 GFADRO COc1cc(Cl)nc(N2CCCn3c(=O)cc(C[N@H+](C)C(C)C)nc3C2)c1 ZINC001164814732 720220398 /nfs/dbraw/zinc/22/03/98/720220398.db2.gz XERXZKYHVROYDH-UHFFFAOYSA-N 1 0 391.903 2.551 20 0 GFADRO Cc1nc(N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc2ccccc12 ZINC001164819989 720314078 /nfs/dbraw/zinc/31/40/78/720314078.db2.gz FWTZGRSZNPUVGK-NHCUHLMSSA-N 1 0 393.535 2.850 20 0 GFADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2ncnc3cccc(F)c32)CC1 ZINC001164825390 720322538 /nfs/dbraw/zinc/32/25/38/720322538.db2.gz DLTBGTZZODRAIE-OALUTQOASA-N 1 0 397.498 2.680 20 0 GFADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2nccc3ncsc32)CC1 ZINC001164825425 720331056 /nfs/dbraw/zinc/33/10/56/720331056.db2.gz DVASBLXVRCCTRN-DLBZAZTESA-N 1 0 385.537 2.603 20 0 GFADRO COc1nc(N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)ccc1Cl ZINC001164830091 720331706 /nfs/dbraw/zinc/33/17/06/720331706.db2.gz OMYQVAKXVKZZAX-IRXDYDNUSA-N 1 0 392.931 2.655 20 0 GFADRO CCCCc1cc(N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)ncn1 ZINC001164830506 720348836 /nfs/dbraw/zinc/34/88/36/720348836.db2.gz VUCSHHFSAHUAQT-PMACEKPBSA-N 1 0 385.556 2.731 20 0 GFADRO COC(=O)c1c[nH]c2nc(N3CC[C@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)ccc12 ZINC001164730359 720363191 /nfs/dbraw/zinc/36/31/91/720363191.db2.gz XCUVSQPTLHUXKH-ROUUACIJSA-N 1 0 377.448 2.598 20 0 GFADRO CC(C)(C)C(=O)Nc1ccc(N2CC[C@@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)nn1 ZINC001164723768 720382247 /nfs/dbraw/zinc/38/22/47/720382247.db2.gz HFWWXQHYBWIBOK-SJORKVTESA-N 1 0 380.496 2.709 20 0 GFADRO COc1ccc2nc(Cl)cc(N3Cc4nccn4C[C@H](C[NH+](C)C)C3)c2n1 ZINC001164726195 720517005 /nfs/dbraw/zinc/51/70/05/720517005.db2.gz BIFSUORZIBJWRN-ZDUSSCGKSA-N 1 0 386.887 2.686 20 0 GFADRO Cc1nc2ccc(N3CC[C@@H]4[C@H](C[C@H](Cn5cccn5)[N@H+]4C(C)C)C3)nc2n1C ZINC001164842148 720545309 /nfs/dbraw/zinc/54/53/09/720545309.db2.gz WYTBGWWJTXEGBU-QWFCFKBJSA-N 1 0 393.539 2.851 20 0 GFADRO Cc1nc2ccc(F)cc2c(N2CCc3ncc(C[NH+]4CCCC4)n3CC2)n1 ZINC001164733822 720557645 /nfs/dbraw/zinc/55/76/45/720557645.db2.gz SVENWANEZCWGPV-UHFFFAOYSA-N 1 0 380.471 2.932 20 0 GFADRO Clc1nc2cnccc2c(N2CCc3ncc(C[NH+]4CCCC4)n3CC2)n1 ZINC001164733469 720558494 /nfs/dbraw/zinc/55/84/94/720558494.db2.gz NQMCICCUWBEJAD-UHFFFAOYSA-N 1 0 383.887 2.533 20 0 GFADRO Cc1nc2cc(Cl)ccc2c(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)n1 ZINC001164743722 720701333 /nfs/dbraw/zinc/70/13/33/720701333.db2.gz XWSRMZFTEVZBOE-CVEARBPZSA-N 1 0 396.882 2.724 20 0 GFADRO Cc1nc(C2CCCCC2)cc(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)n1 ZINC001164737530 720746671 /nfs/dbraw/zinc/74/66/71/720746671.db2.gz CFANVAIVCBUVEB-MOPGFXCFSA-N 1 0 394.523 2.965 20 0 GFADRO c1ncn(C[C@@H]2C[C@@H]3CN(c4ncc5ccccc5n4)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164748330 720808636 /nfs/dbraw/zinc/80/86/36/720808636.db2.gz QTCGQCHLRRDKRK-SVFBPWRDSA-N 1 0 389.507 2.601 20 0 GFADRO Cc1nc(C(C)C)cc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164744232 720812766 /nfs/dbraw/zinc/81/27/66/720812766.db2.gz IELXGJYVZFLTDW-SFHLNBCPSA-N 1 0 395.555 2.879 20 0 GFADRO Fc1cnc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c(Cl)c1 ZINC001164739186 720823295 /nfs/dbraw/zinc/82/32/95/720823295.db2.gz HOXDDMZOTVYJIB-QGPMSJSTSA-N 1 0 390.894 2.845 20 0 GFADRO c1ncn(C[C@@H]2C[C@@H]3CN(c4nccc5cnccc54)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164745153 720837334 /nfs/dbraw/zinc/83/73/34/720837334.db2.gz LVVYOQARFYFXRD-SVFBPWRDSA-N 1 0 389.507 2.601 20 0 GFADRO COCC[N@@H+]1CCO[C@@H]2CN(c3nnc(Cl)c4cccc(C)c43)CC[C@H]2C1 ZINC001164853546 720852814 /nfs/dbraw/zinc/85/28/14/720852814.db2.gz HFSFJMKGKBRPHH-DOTOQJQBSA-N 1 0 390.915 2.765 20 0 GFADRO c1ncn(C[C@H]2C[C@H]3CN(c4cccc(C5CC5)n4)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164748932 720857545 /nfs/dbraw/zinc/85/75/45/720857545.db2.gz MYHHWRDGDICOJP-QKNQBKEWSA-N 1 0 378.524 2.930 20 0 GFADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1ncnc3c1[C@H](C)CC(=O)N3)[C@H]2C ZINC001164860498 720963995 /nfs/dbraw/zinc/96/39/95/720963995.db2.gz QFMVILJERPBHNS-KGLIPLIRSA-N 1 0 383.500 2.540 20 0 GFADRO Cc1nc2ccccc2c(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164867825 721063114 /nfs/dbraw/zinc/06/31/14/721063114.db2.gz KTPPARGETNJTOM-OALUTQOASA-N 1 0 375.476 2.813 20 0 GFADRO COc1ccc2ncnc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)c2c1 ZINC001164867149 721063782 /nfs/dbraw/zinc/06/37/82/721063782.db2.gz INGKASYCTJPOPO-IEBWSBKVSA-N 1 0 391.475 2.513 20 0 GFADRO F[C@H](Oc1ccnc(Cl)c1)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164866883 721068064 /nfs/dbraw/zinc/06/80/64/721068064.db2.gz GPCGXSYSUGSZAG-IEZWGBDMSA-N 1 0 392.862 2.737 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(C(F)(F)c4ccc(Cl)nc4)C[C@H]3C2)cn1 ZINC001164761566 721068742 /nfs/dbraw/zinc/06/87/42/721068742.db2.gz BVTCCRXVZMEAHD-HUUCEWRRSA-N 1 0 381.858 2.972 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(C(F)(F)c4cccc(Cl)n4)C[C@H]3C2)cn1 ZINC001164761576 721074928 /nfs/dbraw/zinc/07/49/28/721074928.db2.gz CAFBIECHUNTOPN-HUUCEWRRSA-N 1 0 381.858 2.972 20 0 GFADRO CSc1ncc(Cl)c(N2C[C@@H]3C[N@@H+](Cc4cnn(C)c4)CC[C@@H]3C2)n1 ZINC001164762844 721088540 /nfs/dbraw/zinc/08/85/40/721088540.db2.gz FIKPTOQONGEQLE-KGLIPLIRSA-N 1 0 378.933 2.544 20 0 GFADRO COc1ccc2ncc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)nc2c1 ZINC001164866930 721089861 /nfs/dbraw/zinc/08/98/61/721089861.db2.gz VGSUJDDCLJJCHZ-HKUYNNGSSA-N 1 0 391.475 2.513 20 0 GFADRO Cc1cc(C(F)(F)N2C[C@@H]3C[N@H+](Cc4cnn(C)c4)CC[C@@H]3C2)nc(Cl)n1 ZINC001164773806 721106707 /nfs/dbraw/zinc/10/67/07/721106707.db2.gz ZCSWKAFLSXPZKA-CABCVRRESA-N 1 0 396.873 2.675 20 0 GFADRO COc1ccc2nc(N3C[C@@H]4CC[N@H+](Cc5cnn(C)c5)C[C@@H]4C3)ccc2c1 ZINC001164766504 721107000 /nfs/dbraw/zinc/10/70/00/721107000.db2.gz LTBJBYJFOLRYFI-RBUKOAKNSA-N 1 0 377.492 2.935 20 0 GFADRO Cc1cc2ncnc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)c2s1 ZINC001164879088 721126457 /nfs/dbraw/zinc/12/64/57/721126457.db2.gz RQGZGPDHTRHSKS-SJORKVTESA-N 1 0 381.505 2.874 20 0 GFADRO CCCN(CCC)c1cc(N2C[C@@H]3C[N@@H+](Cc4cnn(C)c4)CC[C@@H]3C2)ncn1 ZINC001164771435 721170624 /nfs/dbraw/zinc/17/06/24/721170624.db2.gz PRZCRQYINXNBMS-UXHICEINSA-N 1 0 397.571 2.795 20 0 GFADRO CCc1nc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)c(Cl)nc1C ZINC001164870946 721189832 /nfs/dbraw/zinc/18/98/32/721189832.db2.gz XSZSPOJGGYLXOP-SJORKVTESA-N 1 0 387.915 2.876 20 0 GFADRO COc1ccc2nc(N3C[C@@H]4C[N@@H+](Cc5cnn(C)c5)CC[C@@H]4C3)c(C)nc2c1 ZINC001164761400 721214022 /nfs/dbraw/zinc/21/40/22/721214022.db2.gz AZSYHEHUFJRHBI-MSOLQXFVSA-N 1 0 392.507 2.639 20 0 GFADRO Cc1ccc(-c2ccc(N3C[C@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@@H]4C3)nn2)o1 ZINC001164772430 721218318 /nfs/dbraw/zinc/21/83/18/721218318.db2.gz UTBSRDCNHGHZKT-QZTJIDSGSA-N 1 0 378.480 2.737 20 0 GFADRO CCN1C(=O)[C@]2(CC[C@H]3CN(c4ccc(C[N@H+](C)C5CC5)cn4)C[C@@H]32)N=C1C ZINC001164872522 721233546 /nfs/dbraw/zinc/23/35/46/721233546.db2.gz MBZPTRHSRSWCGA-LQBOVUBWSA-N 1 0 381.524 2.541 20 0 GFADRO c1cc2c(cc1-c1ccc(N3CC4(C3)CC[N@@H+](CC3CC3)C4)nn1)OCCO2 ZINC001164771189 721298449 /nfs/dbraw/zinc/29/84/49/721298449.db2.gz YHPJMYZNRUKFGK-UHFFFAOYSA-N 1 0 378.476 2.837 20 0 GFADRO Cc1nc(Cl)nc(N2CC[C@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)c1C ZINC001164894043 721380172 /nfs/dbraw/zinc/38/01/72/721380172.db2.gz WMQGBSNSGGVKIF-PXNSSMCTSA-N 1 0 393.963 2.512 20 0 GFADRO Cc1cc(N2CC[C@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)ncc1Cl ZINC001164886141 721397399 /nfs/dbraw/zinc/39/73/99/721397399.db2.gz DMYFIRATANWCBJ-XLIONFOSSA-N 1 0 378.948 2.809 20 0 GFADRO Cc1cccc2ncc(N3CC[C@@]4(C3)CCC[C@H](C[NH+]3CCN(C)CC3)O4)nc12 ZINC001164884109 721404641 /nfs/dbraw/zinc/40/46/41/721404641.db2.gz DDPLCXGWVMFVPI-AUSIDOKSSA-N 1 0 395.551 2.704 20 0 GFADRO c1csc(CN2C[C@@H]3CN(c4cccc(OCC[NH+]5CCCC5)n4)C[C@@H]3C2)n1 ZINC001164788274 721421774 /nfs/dbraw/zinc/42/17/74/721421774.db2.gz RSBJNLMORKVZBJ-HDICACEKSA-N 1 0 399.564 2.581 20 0 GFADRO Cc1cc(N2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)nc2[nH]ccc21 ZINC001164891919 721423860 /nfs/dbraw/zinc/42/38/60/721423860.db2.gz WQFAFMWANZHBFQ-XMSQKQJNSA-N 1 0 383.540 2.637 20 0 GFADRO COc1nc(N2CC[C@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)ccc1Cl ZINC001164889527 721426773 /nfs/dbraw/zinc/42/67/73/721426773.db2.gz BGUQAOMAOXHYHM-UZLBHIALSA-N 1 0 394.947 2.509 20 0 GFADRO CCc1ccc(N2CCC3(C[C@H](COCC4CC4)[N@H+](CCOC)C3)CC2)nn1 ZINC001164788614 721463222 /nfs/dbraw/zinc/46/32/22/721463222.db2.gz USBWNPWBFBUERB-HXUWFJFHSA-N 1 0 388.556 2.773 20 0 GFADRO CC(C)(c1ccnc(Cl)c1)[N@@H+]1CC[C@@H]2OCC[C@H](C(=O)N3CCCO3)[C@@H]2C1 ZINC001164790848 721483690 /nfs/dbraw/zinc/48/36/90/721483690.db2.gz GVRHJHKTJCMPIA-ULQDDVLXSA-N 1 0 393.915 2.861 20 0 GFADRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2cc(Cl)nc4ccccc42)CC3)CC1 ZINC001164795575 721508463 /nfs/dbraw/zinc/50/84/63/721508463.db2.gz LPOXCRGSPYAYLP-UHFFFAOYSA-N 1 0 396.926 2.852 20 0 GFADRO Cc1cccc2c(C)cc(N3CCn4cc(CN5CC[NH+](C)CC5)nc4C3)nc12 ZINC001164794692 721509448 /nfs/dbraw/zinc/50/94/48/721509448.db2.gz DEVUEMYNVPEWBM-UHFFFAOYSA-N 1 0 390.535 2.816 20 0 GFADRO Fc1cccc(O[C@H]2C[C@H]3CN(c4nc(Cl)nc(Cl)n4)CC[N@@H+]3C2)c1 ZINC001164897899 721523678 /nfs/dbraw/zinc/52/36/78/721523678.db2.gz GQZJNRXQEVVQMW-AAEUAGOBSA-N 1 0 384.242 2.659 20 0 GFADRO Fc1cccc(O[C@H]2C[C@@H]3CN(c4ncc(OC(F)F)cn4)CC[N@@H+]3C2)c1 ZINC001164905245 721542492 /nfs/dbraw/zinc/54/24/92/721542492.db2.gz HEYRPFGBKODTCK-HIFRSBDPSA-N 1 0 380.370 2.559 20 0 GFADRO COC(=O)c1cc(C)cc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)n1 ZINC001164912478 721542711 /nfs/dbraw/zinc/54/27/11/721542711.db2.gz ZYOHPTLBMBXSLE-SJLPKXTDSA-N 1 0 385.439 2.658 20 0 GFADRO CC(C)COc1cncc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)n1 ZINC001164907569 721555882 /nfs/dbraw/zinc/55/58/82/721555882.db2.gz OMXIZSTZWLKYKK-PKOBYXMFSA-N 1 0 386.471 2.992 20 0 GFADRO Cc1noc(-c2ccnc(N3CC[N@@H+]4C[C@@H](Oc5cccc(F)c5)C[C@H]4C3)c2)n1 ZINC001164903084 721556720 /nfs/dbraw/zinc/55/67/20/721556720.db2.gz AFJSXMLWNPCWHZ-HKUYNNGSSA-N 1 0 395.438 2.921 20 0 GFADRO CC(=O)Nc1c(C)ccnc1N1C[C@H]([N@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@@H]21 ZINC001164798741 721571943 /nfs/dbraw/zinc/57/19/43/721571943.db2.gz CCXTUYOYQAPFSI-IRFCIJBXSA-N 1 0 395.507 2.612 20 0 GFADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2cc3nccc(Cl)c3cn2)CC1 ZINC001165011884 721736321 /nfs/dbraw/zinc/73/63/21/721736321.db2.gz VVNXWKMUGAZISF-UHFFFAOYSA-N 1 0 387.915 2.806 20 0 GFADRO COc1cnc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)nc1OC ZINC001165028303 721811656 /nfs/dbraw/zinc/81/16/56/721811656.db2.gz XILFWYWYTCZMRD-SZMVWBNQSA-N 1 0 383.496 2.626 20 0 GFADRO CCn1cnc2c1ncnc2N1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165029705 721824334 /nfs/dbraw/zinc/82/43/34/721824334.db2.gz XMXKZOFBCDIENY-YTQUADARSA-N 1 0 391.523 2.978 20 0 GFADRO C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2C(F)(F)c1nc(Cl)cc(Cl)n1 ZINC001164931811 721851188 /nfs/dbraw/zinc/85/11/88/721851188.db2.gz WKKXPXBICYLVTQ-GHMZBOCLSA-N 1 0 380.270 2.543 20 0 GFADRO FC(F)[C@](F)(COc1cncc(Cl)n1)N1CC[NH+](C2CCCC2)CC1 ZINC001165032351 721860454 /nfs/dbraw/zinc/86/04/54/721860454.db2.gz REKXJXWYMWPXHE-INIZCTEOSA-N 1 0 378.826 3.000 20 0 GFADRO CCOC(=O)c1cc2c(N3CC[C@H]4[C@H]3CC[N@@H+]4CCN(C)C)[nH]c(C)c(C)c-2n1 ZINC001164922626 721869502 /nfs/dbraw/zinc/86/95/02/721869502.db2.gz HIVLFBGNBPDZHS-RBUKOAKNSA-N 1 0 399.539 2.571 20 0 GFADRO CN(C)C(=O)c1cc2cnc(N3CCC[C@H]([NH+](C)C)C3)nc2n1C1CCCC1 ZINC001165039119 721891527 /nfs/dbraw/zinc/89/15/27/721891527.db2.gz MIIWQQWSHBYAMH-KRWDZBQOSA-N 1 0 384.528 2.779 20 0 GFADRO COC(=O)/C=C\c1ccc(NC(=O)C(C)(C)C)c(N2CCC[C@@H]([NH+](C)C)C2)n1 ZINC001165035814 721893906 /nfs/dbraw/zinc/89/39/06/721893906.db2.gz OYBJDDDBVQXFTQ-UILAEWCASA-N 1 0 388.512 2.783 20 0 GFADRO CCOC(=O)c1cnc(Cl)nc1C(F)(F)N(C)CC1CC[NH+](C)CC1 ZINC001165040414 721930747 /nfs/dbraw/zinc/93/07/47/721930747.db2.gz DFMRLGOQSNXCAB-UHFFFAOYSA-N 1 0 376.835 2.630 20 0 GFADRO c1ccc(OCC[NH+]2CCN(c3ncnc4cc5c(cc43)OCCO5)CC2)cc1 ZINC001165044293 721953373 /nfs/dbraw/zinc/95/33/73/721953373.db2.gz LGZWZNZWZITDDO-UHFFFAOYSA-N 1 0 392.459 2.602 20 0 GFADRO CCOC(=O)c1cnc2cc(N3CC[NH+](CCOc4ccccc4)CC3)[nH]cc1-2 ZINC001165044691 721958965 /nfs/dbraw/zinc/95/89/65/721958965.db2.gz MNRYDNPFIINMNN-UHFFFAOYSA-N 1 0 394.475 2.941 20 0 GFADRO CC(=O)N1CC[C@]2(c3ccccc3)CCN(c3cc(C[NH+](C)C)ccn3)C[C@H]12 ZINC001164949397 721967749 /nfs/dbraw/zinc/96/77/49/721967749.db2.gz XMTSIZYGJPJXDF-GMAHTHKFSA-N 1 0 378.520 2.912 20 0 GFADRO O=S(=O)(c1ccnc(N2CCCC[C@H]2CC[NH+]2CCCC2)c1)N1CCCC1 ZINC001165049826 721977518 /nfs/dbraw/zinc/97/75/18/721977518.db2.gz SBAYPQVFKRHVAB-SFHVURJKSA-N 1 0 392.569 2.711 20 0 GFADRO COC[C@@]12COC[C@@H]1CN(C(F)(F)c1cnc(Cl)c(C3=CC[NH2+]CC3)c1)C2 ZINC001164949286 721996861 /nfs/dbraw/zinc/99/68/61/721996861.db2.gz DPCXWVWOIKQBNI-YJBOKZPZSA-N 1 0 399.869 2.756 20 0 GFADRO CN(C)C(=O)N[C@H]1CCO[C@@]2(CC[N@@H+](C(C)(C)c3ccnc(Cl)c3)C2)C1 ZINC001164952717 722011165 /nfs/dbraw/zinc/01/11/65/722011165.db2.gz AGCMGVWIDRXQNP-KXBFYZLASA-N 1 0 380.920 2.865 20 0 GFADRO COC(=O)C[C@@H](c1ccnc(N2CC[NH+](CCc3ccccn3)CC2)c1)C1CC1 ZINC001165055411 722016650 /nfs/dbraw/zinc/01/66/50/722016650.db2.gz IRIWDQNFDGZFEU-OAQYLSRUSA-N 1 0 394.519 2.898 20 0 GFADRO O=C(c1cscn1)N1CC[C@H]2[C@@H]1CCN2c1ccc(C[NH+]2CCCC2)cn1 ZINC001164966030 722065270 /nfs/dbraw/zinc/06/52/70/722065270.db2.gz NNWBPQIUXBAQDR-ROUUACIJSA-N 1 0 383.521 2.627 20 0 GFADRO c1ccc2nc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)cnc2c1 ZINC001164985780 722102524 /nfs/dbraw/zinc/10/25/24/722102524.db2.gz WPOCLGIIVOUQMI-GHTZIAJQSA-N 1 0 375.476 2.752 20 0 GFADRO Cc1nc(C)c(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c(Cl)n1 ZINC001164970980 722111775 /nfs/dbraw/zinc/11/17/75/722111775.db2.gz BAMXBDFAMHDYGR-MSOLQXFVSA-N 1 0 387.915 2.869 20 0 GFADRO c1cncc(C[N@@H+]2CCO[C@H]3CN(c4nccnc4OC4CCC4)CC[C@@H]3C2)c1 ZINC001164976284 722151919 /nfs/dbraw/zinc/15/19/19/722151919.db2.gz WNDCEEXVRZFGTI-QUCCMNQESA-N 1 0 395.507 2.530 20 0 GFADRO CCN(CC)c1ccnc([C@@H]2COCCN2c2ccc(C[NH+]3CCCC3)cn2)n1 ZINC001165001305 722227143 /nfs/dbraw/zinc/22/71/43/722227143.db2.gz YWERVBXXBAABHU-IBGZPJMESA-N 1 0 396.539 2.892 20 0 GFADRO Cc1nc2sccc2c(N2CCCn3cnc(COCC[NH+](C)C)c3C2)n1 ZINC001165001453 722250480 /nfs/dbraw/zinc/25/04/80/722250480.db2.gz RFCMDBBZXHARQS-UHFFFAOYSA-N 1 0 386.525 2.685 20 0 GFADRO Cc1nc2ccc(F)cc2c(N2CCCn3cnc(COCC[NH+](C)C)c3C2)n1 ZINC001165000270 722251795 /nfs/dbraw/zinc/25/17/95/722251795.db2.gz NOGRVVXLMARWKY-UHFFFAOYSA-N 1 0 398.486 2.762 20 0 GFADRO CC[NH+]1CCN(c2ccccc2NC(=O)N2CCC(c3nnc(C)[nH]3)CC2)CC1 ZINC000359941682 203805354 /nfs/dbraw/zinc/80/53/54/203805354.db2.gz NWLKDKXOSGWMGX-UHFFFAOYSA-N 1 0 397.527 2.667 20 0 GFADRO Cc1nn(C(C)(C)C)c(C)c1C[NH2+]C[C@@H]1CCCN(c2nccn3cnnc23)C1 ZINC000359992329 203809052 /nfs/dbraw/zinc/80/90/52/203809052.db2.gz HEQSHFZBXUNXJM-KRWDZBQOSA-N 1 0 396.543 2.699 20 0 GFADRO O=S(=O)(NC1CC[NH+](Cc2ccccc2)CC1)c1cccc2nsnc21 ZINC000004363233 204042325 /nfs/dbraw/zinc/04/23/25/204042325.db2.gz JEJFJKULHZHDCY-UHFFFAOYSA-N 1 0 388.518 2.634 20 0 GFADRO O=C(NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)c1n[nH]c(=O)c2ccccc21 ZINC000007118732 204234241 /nfs/dbraw/zinc/23/42/41/204234241.db2.gz UTKJWOZBHDTLMF-UHFFFAOYSA-N 1 0 396.878 2.971 20 0 GFADRO Cc1sc(Br)cc1S(=O)(=O)NCC[NH+]1CCC(C)CC1 ZINC000122416901 551297434 /nfs/dbraw/zinc/29/74/34/551297434.db2.gz FHCQXXKVWAYWPD-UHFFFAOYSA-N 1 0 381.361 2.829 20 0 GFADRO COc1ccc2cc(C(=O)Nc3ccc(N4CC[NH+](C)CC4)cn3)c(C)nc2c1 ZINC000071961979 537032500 /nfs/dbraw/zinc/03/25/00/537032500.db2.gz DTRPWYVDXJUPPY-UHFFFAOYSA-N 1 0 391.475 2.951 20 0 GFADRO C[NH+]1CCN(c2ccc(CNC(=O)c3ccc(Br)cc3)cn2)CC1 ZINC000011533066 551107258 /nfs/dbraw/zinc/10/72/58/551107258.db2.gz ZAZCYHDEQJCMBL-UHFFFAOYSA-N 1 0 389.297 2.526 20 0 GFADRO CNC(=O)c1ccc(C[NH2+]C[C@@H](O)COc2c(Cl)cccc2Cl)cc1 ZINC000028920270 551125228 /nfs/dbraw/zinc/12/52/28/551125228.db2.gz WDWBFBPNMRPUKV-CQSZACIVSA-N 1 0 383.275 2.883 20 0 GFADRO O=C(c1ccccc1I)N1CCC([NH+]2CCCC2)CC1 ZINC000048551257 551156905 /nfs/dbraw/zinc/15/69/05/551156905.db2.gz VNJOVDBFRLWYQZ-UHFFFAOYSA-N 1 0 384.261 2.992 20 0 GFADRO CN1CCC([NH+]2CCC(NC(=O)c3ccc(Br)s3)CC2)CC1 ZINC000050801849 551161730 /nfs/dbraw/zinc/16/17/30/551161730.db2.gz WPYSLCOCLWLNDM-UHFFFAOYSA-N 1 0 386.359 2.799 20 0 GFADRO C[N@H+](CC(=O)NCC(=O)Nc1ccccc1Br)C(C1CC1)C1CC1 ZINC000050989219 551161768 /nfs/dbraw/zinc/16/17/68/551161768.db2.gz UREGCHTZKJEEAU-UHFFFAOYSA-N 1 0 394.313 2.624 20 0 GFADRO CCCCNC(=O)[C@H]1CCC[N@H+](CC(=O)N(C)Cc2ccc(Cl)s2)C1 ZINC000051061075 551162295 /nfs/dbraw/zinc/16/22/95/551162295.db2.gz RTDWVUQDRSPZFW-AWEZNQCLSA-N 1 0 385.961 2.988 20 0 GFADRO C[NH+](C)CCCNC(=O)CCc1nc(-c2cc(Br)cs2)no1 ZINC000052931339 551165274 /nfs/dbraw/zinc/16/52/74/551165274.db2.gz KQUOQEPHIQHPHZ-UHFFFAOYSA-N 1 0 387.303 2.561 20 0 GFADRO C[C@H](CNC(=O)[C@@H]1CCCN1C(=O)c1ccc(Cl)s1)C[NH+]1CCCC1 ZINC000056984652 551178868 /nfs/dbraw/zinc/17/88/68/551178868.db2.gz NHQJMOFKBUOAFQ-KGLIPLIRSA-N 1 0 383.945 2.854 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)c1[nH]nc(-c2ccccc2)c1Br)C1CC1 ZINC000065108134 551185985 /nfs/dbraw/zinc/18/59/85/551185985.db2.gz BXQXILHKESOFGQ-CYBMUJFWSA-N 1 0 377.286 2.909 20 0 GFADRO O=S(=O)(CC[NH2+]Cc1c[nH]nc1-c1cccnc1)c1ccc(Cl)cc1 ZINC000067449954 551189002 /nfs/dbraw/zinc/18/90/02/551189002.db2.gz BXPNLKWJDSUDDT-UHFFFAOYSA-N 1 0 376.869 2.689 20 0 GFADRO CC(C)[N@@H+]1CC[C@H](CNC(=O)c2ccc(F)cc2I)C1 ZINC000067632116 551189885 /nfs/dbraw/zinc/18/98/85/551189885.db2.gz CBKIRFLMXNXSHN-LLVKDONJSA-N 1 0 390.240 2.890 20 0 GFADRO O=C(NCCOc1ccc(Br)cc1)NC1CC[NH+](C2CC2)CC1 ZINC000068406048 551191841 /nfs/dbraw/zinc/19/18/41/551191841.db2.gz KENVLRQDUAXWBX-UHFFFAOYSA-N 1 0 382.302 2.754 20 0 GFADRO C[N@@H+]1CCCC[C@@H]1CN1CCN(CCOc2ccccc2Br)CC1 ZINC000093790999 551195714 /nfs/dbraw/zinc/19/57/14/551195714.db2.gz GKIKSDHCXIIHFQ-QGZVFWFLSA-N 1 0 396.373 2.930 20 0 GFADRO C[N@@H+]1CCCN(C(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000097213274 551196485 /nfs/dbraw/zinc/19/64/85/551196485.db2.gz OMZNMRAFRSWFIK-INIZCTEOSA-N 1 0 384.307 2.762 20 0 GFADRO C[C@@H](C(=O)N1CCN(c2ccc(Br)cn2)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000101641413 551197589 /nfs/dbraw/zinc/19/75/89/551197589.db2.gz QVORUOOJPZTDQD-ZNMIVQPWSA-N 1 0 395.345 2.754 20 0 GFADRO C[NH+]1CCC(NC(=O)Nc2cc(Br)ccc2-n2cccn2)CC1 ZINC000110070234 551201973 /nfs/dbraw/zinc/20/19/73/551201973.db2.gz BSJJFDVRXHZMEJ-UHFFFAOYSA-N 1 0 378.274 2.851 20 0 GFADRO C[C@@H](Oc1ccccc1Br)C(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000112271150 551205596 /nfs/dbraw/zinc/20/55/96/551205596.db2.gz CJAJAYQPUYFTEK-QLFBSQMISA-N 1 0 399.329 2.832 20 0 GFADRO C[NH+](C)C[C@H]1CCCCN1C(=O)c1cc(=O)c2cc(Br)ccc2[nH]1 ZINC000112635375 551206829 /nfs/dbraw/zinc/20/68/29/551206829.db2.gz QFSUCZHFIJORLY-CYBMUJFWSA-N 1 0 392.297 2.847 20 0 GFADRO C[C@@H]1C[C@H](N(C)C(=O)c2c(F)cccc2I)CC[N@@H+]1C ZINC000119140452 551215134 /nfs/dbraw/zinc/21/51/34/551215134.db2.gz KYNCAVQMNZZFHN-GHMZBOCLSA-N 1 0 390.240 2.985 20 0 GFADRO Cc1cc(I)cc(C(=O)NC[C@@H]2CCC[N@@H+](C)C2)c1C ZINC000120368704 551220650 /nfs/dbraw/zinc/22/06/50/551220650.db2.gz SUWQVDLQCUXFFY-ZDUSSCGKSA-N 1 0 386.277 2.980 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)Nc2cc(F)ccc2Br)C1 ZINC000120371763 551220739 /nfs/dbraw/zinc/22/07/39/551220739.db2.gz KAFGFGMZVQBETH-NWDGAFQWSA-N 1 0 386.265 2.516 20 0 GFADRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1csc(I)c1 ZINC000120750270 551221479 /nfs/dbraw/zinc/22/14/79/551221479.db2.gz BKEHCCVSVLIBES-ONGXEEELSA-N 1 0 378.279 2.765 20 0 GFADRO C[C@H]1C[NH+](CCCCNC(=O)COc2ccccc2Br)C[C@H](C)O1 ZINC000120921419 551222922 /nfs/dbraw/zinc/22/29/22/551222922.db2.gz QDKBVPJDPJWONK-GJZGRUSLSA-N 1 0 399.329 2.834 20 0 GFADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)C[C@H](C)c1ccc(Br)cc1 ZINC000120954621 551223110 /nfs/dbraw/zinc/22/31/10/551223110.db2.gz VTFWSNYDKMVBME-GJZGRUSLSA-N 1 0 382.346 2.695 20 0 GFADRO C[NH+]1CCC(CCNS(=O)(=O)c2ccc(F)cc2Br)CC1 ZINC000120953823 551223344 /nfs/dbraw/zinc/22/33/44/551223344.db2.gz RHRUMMZMUWCAFC-UHFFFAOYSA-N 1 0 379.295 2.598 20 0 GFADRO Cc1cccc(NC(=O)C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)c1Br ZINC000121122630 551227784 /nfs/dbraw/zinc/22/77/84/551227784.db2.gz GNMJPMNEIKTYJX-OLZOCXBDSA-N 1 0 382.302 2.685 20 0 GFADRO C[N@@H+]1CCC[C@H]2CN(C(=O)NCCOc3ncc(Cl)cc3Cl)CC[C@@H]21 ZINC000121208591 551229634 /nfs/dbraw/zinc/22/96/34/551229634.db2.gz JBDMHILGXQOGJV-WFASDCNBSA-N 1 0 387.311 2.893 20 0 GFADRO FC1(F)CC[NH2+]C[C@H]1NCc1cc(Br)c2c(c1)OCCCO2 ZINC000415006525 563757008 /nfs/dbraw/zinc/75/70/08/563757008.db2.gz TXISSSBXZWODHC-CYBMUJFWSA-N 1 0 377.229 2.697 20 0 GFADRO CCCN(CC[NH+](CC)CC)C(=O)C(=O)Nc1ccc(Br)cc1 ZINC000121715320 551240874 /nfs/dbraw/zinc/24/08/74/551240874.db2.gz KNQNXDSKMJROBH-UHFFFAOYSA-N 1 0 384.318 2.968 20 0 GFADRO CCOc1c(Br)cc(CN[C@H]2C[NH2+]CCC2(F)F)cc1OC ZINC000415007987 563757033 /nfs/dbraw/zinc/75/70/33/563757033.db2.gz VHRDIFSAVMYGJI-ZDUSSCGKSA-N 1 0 379.245 2.943 20 0 GFADRO O=C(c1csc(I)c1)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000124224855 551312511 /nfs/dbraw/zinc/31/25/11/551312511.db2.gz HSXGPNQXCJMNFB-GFCCVEGCSA-N 1 0 390.290 2.957 20 0 GFADRO Cc1nc(-c2cccs2)sc1C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000121899526 551291866 /nfs/dbraw/zinc/29/18/66/551291866.db2.gz VVECVTQTKZPKIJ-ZDUSSCGKSA-N 1 0 378.567 2.793 20 0 GFADRO O=S(=O)(NCC[NH2+]Cc1ccc(Br)s1)c1cccs1 ZINC000122217672 551295698 /nfs/dbraw/zinc/29/56/98/551295698.db2.gz XKWACADBUMZQNO-UHFFFAOYSA-N 1 0 381.342 2.640 20 0 GFADRO CCN1CC[NH+](C[C@H](C)CNC(=O)c2ccc(Br)cc2C)CC1 ZINC000122246513 551296040 /nfs/dbraw/zinc/29/60/40/551296040.db2.gz PNWBFGYQLHJPRB-CQSZACIVSA-N 1 0 382.346 2.761 20 0 GFADRO O=C(NCCCOCC(F)(F)F)NCC1([NH+]2CCSCC2)CCCC1 ZINC000122240885 551296251 /nfs/dbraw/zinc/29/62/51/551296251.db2.gz KTGVXNCKYZTCQE-UHFFFAOYSA-N 1 0 383.480 2.616 20 0 GFADRO Cc1cc(C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)ccc1Br ZINC000122483600 551298803 /nfs/dbraw/zinc/29/88/03/551298803.db2.gz QPPNVQVJRFAVHJ-CQSZACIVSA-N 1 0 381.314 2.988 20 0 GFADRO O[C@H](C[NH2+]Cc1cc(F)ccc1Br)COc1ccc2c(c1)OCO2 ZINC000123365119 551306314 /nfs/dbraw/zinc/30/63/14/551306314.db2.gz IAWOAFDYOBBMKA-CYBMUJFWSA-N 1 0 398.228 2.846 20 0 GFADRO C[NH+](C)CCOc1cc(CNC(=O)c2c(F)cccc2Br)ccn1 ZINC000124194310 551312119 /nfs/dbraw/zinc/31/21/19/551312119.db2.gz TXLSRDDFYUXKSX-UHFFFAOYSA-N 1 0 396.260 2.854 20 0 GFADRO O=S1(=O)CCC[C@@H]([NH2+]Cc2ccc(Br)c(Br)c2)C1 ZINC000124568025 551315754 /nfs/dbraw/zinc/31/57/54/551315754.db2.gz MWPWTTZFWFGYAQ-SNVBAGLBSA-N 1 0 397.132 2.878 20 0 GFADRO C[C@@H]1C[NH2+]CCN1C(=O)c1nn(-c2cccc(Br)c2)c2c1CCC2 ZINC000124750003 551317684 /nfs/dbraw/zinc/31/76/84/551317684.db2.gz OABSFUAHVNQAKK-GFCCVEGCSA-N 1 0 389.297 2.557 20 0 GFADRO C[N@H+](C[C@H](O)COc1ccc(F)cc1)[C@@H](CO)c1cccc(Br)c1 ZINC000125711623 551322999 /nfs/dbraw/zinc/32/29/99/551322999.db2.gz UBEICOSMWZNAPB-WMZOPIPTSA-N 1 0 398.272 2.993 20 0 GFADRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C[C@H]1Sc2ccc(Cl)cc2NC1=O ZINC000126188739 551326879 /nfs/dbraw/zinc/32/68/79/551326879.db2.gz JZEVZPKMNATBEL-HZUKXOBISA-N 1 0 381.929 2.942 20 0 GFADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NCc1ccc(O)c(Br)c1 ZINC000126326111 551328851 /nfs/dbraw/zinc/32/88/51/551328851.db2.gz OYKOUEOYIFUYFM-KGLIPLIRSA-N 1 0 382.302 2.923 20 0 GFADRO O=C(NC[C@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1)c1csc(Br)c1 ZINC000126912635 551334306 /nfs/dbraw/zinc/33/43/06/551334306.db2.gz MAUQERPSDZADBI-HUUCEWRRSA-N 1 0 395.322 2.876 20 0 GFADRO Cn1cc(NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)cc(Br)c1=O ZINC000127129197 551336931 /nfs/dbraw/zinc/33/69/31/551336931.db2.gz STZPCROCYJWGIS-LBPRGKRZSA-N 1 0 382.302 2.741 20 0 GFADRO Cc1nc(NC(=O)N2CCN(c3cc[nH+]cc3)CC2)ccc1Br ZINC000128750166 551351995 /nfs/dbraw/zinc/35/19/95/551351995.db2.gz YJARCJMLUZXGMV-UHFFFAOYSA-N 1 0 376.258 2.902 20 0 GFADRO O=C(C[C@H]1CC[NH2+]C1)NCCSCCOc1cccc(Br)c1 ZINC000129275999 551355301 /nfs/dbraw/zinc/35/53/01/551355301.db2.gz MUXDYTAPXNFDBX-CYBMUJFWSA-N 1 0 387.343 2.677 20 0 GFADRO O=C(CCNc1ncc(C(F)(F)F)cc1Cl)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000129327406 551355922 /nfs/dbraw/zinc/35/59/22/551355922.db2.gz QFUJDFLMFDGOPA-FOSCPWQOSA-N 1 0 376.810 2.955 20 0 GFADRO O=C(NCCOc1ccc(Br)cc1)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000129472516 551357866 /nfs/dbraw/zinc/35/78/66/551357866.db2.gz HSHRULHXJVIFMC-ZDUSSCGKSA-N 1 0 382.302 2.611 20 0 GFADRO O=C(CC[N@@H+]1CCO[C@H]([C@@H]2CCCO2)C1)Nc1ccc(Br)cc1 ZINC000129990425 551360527 /nfs/dbraw/zinc/36/05/27/551360527.db2.gz VHSZTJBHZNLASO-HOTGVXAUSA-N 1 0 383.286 2.658 20 0 GFADRO COc1ccc(CC[NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)cc1S(N)(=O)=O ZINC000130321987 551363224 /nfs/dbraw/zinc/36/32/24/551363224.db2.gz MWBKDZBKZWGSKR-OLZOCXBDSA-N 1 0 380.432 2.596 20 0 GFADRO CN(CC[NH+]1CCCC1)C(=O)c1cn(-c2ccc(Br)cc2)cn1 ZINC000130422774 551364933 /nfs/dbraw/zinc/36/49/33/551364933.db2.gz CSQKXFJFMXSYIQ-UHFFFAOYSA-N 1 0 377.286 2.803 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)CS(=O)(=O)c1ccc(Cl)cc1 ZINC000130653079 551367593 /nfs/dbraw/zinc/36/75/93/551367593.db2.gz QMOVGHOOYAIQBD-OAHLLOKOSA-N 1 0 386.945 2.885 20 0 GFADRO Cn1c(C[NH2+]C[C@@H](O)COc2ccccc2Br)nc2ccccc21 ZINC000131028071 551371583 /nfs/dbraw/zinc/37/15/83/551371583.db2.gz FGDGRTMTSSLBDZ-CYBMUJFWSA-N 1 0 390.281 2.865 20 0 GFADRO NC(=O)[C@H]1CCCC[C@@H]1[NH2+]Cc1cc2c(cc1Br)OCCCO2 ZINC000131080058 551372081 /nfs/dbraw/zinc/37/20/81/551372081.db2.gz LSXLZSCDZHTJHW-JSGCOSHPSA-N 1 0 383.286 2.744 20 0 GFADRO C[C@@H](CNC(=O)c1ccc(Cl)c(NS(C)(=O)=O)c1)[N@@H+]1CCC[C@H](C)C1 ZINC000140262246 551393147 /nfs/dbraw/zinc/39/31/47/551393147.db2.gz HMPIRMXPLAPDLI-STQMWFEESA-N 1 0 387.933 2.562 20 0 GFADRO C[C@@H](CNC(=O)c1ccc(Cl)c(NS(C)(=O)=O)c1)[N@@H+]1CCCC[C@H]1C ZINC000140221681 551393150 /nfs/dbraw/zinc/39/31/50/551393150.db2.gz QWXGMDLWPTYPON-OLZOCXBDSA-N 1 0 387.933 2.704 20 0 GFADRO O=C(c1cnn(-c2ccc(Br)cc2)c1)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000141496200 551394342 /nfs/dbraw/zinc/39/43/42/551394342.db2.gz PKUCVMZQTLWDHD-KRWDZBQOSA-N 1 0 389.297 2.945 20 0 GFADRO COCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](CCOc2ccc(Br)cc2)C1 ZINC000144370804 551395671 /nfs/dbraw/zinc/39/56/71/551395671.db2.gz QWFVPGVFZQGFAJ-LSDHHAIUSA-N 1 0 399.329 2.691 20 0 GFADRO C[NH+](C)CCC(=O)Nc1ccc(NC(=O)c2ccncc2Br)cc1 ZINC000151012127 551405804 /nfs/dbraw/zinc/40/58/04/551405804.db2.gz NHAMQOQNVWCMNQ-UHFFFAOYSA-N 1 0 391.269 2.987 20 0 GFADRO COC(=O)c1ccc(S(=O)(=O)N(CC[NH+](C)C)C2CCCC2)cc1Cl ZINC000151274593 551410465 /nfs/dbraw/zinc/41/04/65/551410465.db2.gz RLWFREPSAXICGJ-UHFFFAOYSA-N 1 0 388.917 2.622 20 0 GFADRO C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CCCN1CCC(O)CC1 ZINC000151376527 551412363 /nfs/dbraw/zinc/41/23/63/551412363.db2.gz GFPPDAGWRBPCQW-AWEZNQCLSA-N 1 0 398.345 2.603 20 0 GFADRO CC(C)COC[C@@H](O)C[NH2+][C@H](C)c1ccc(I)cc1 ZINC000151455456 551413864 /nfs/dbraw/zinc/41/38/64/551413864.db2.gz SHTSFCHIMQVSLE-DOMZBBRYSA-N 1 0 377.266 2.975 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H](C(=O)N2CCN(C(=O)c3c(Cl)cccc3Cl)CC2)C1 ZINC000152586460 551435873 /nfs/dbraw/zinc/43/58/73/551435873.db2.gz IHFQHXSPJHVOPZ-CHWSQXEVSA-N 1 0 384.307 2.795 20 0 GFADRO COC1CC[NH+](CCNC(=O)N[C@H](C)Cc2ccccc2Br)CC1 ZINC000152625939 551436861 /nfs/dbraw/zinc/43/68/61/551436861.db2.gz ISYVBEFNGMJBCK-CQSZACIVSA-N 1 0 398.345 2.790 20 0 GFADRO Cn1ncc2c1CCC[C@@H]2[NH2+]CCCNC(=O)c1cccc(Br)c1 ZINC000152692215 551437882 /nfs/dbraw/zinc/43/78/82/551437882.db2.gz NXNXYRRSOKZJCB-INIZCTEOSA-N 1 0 391.313 2.970 20 0 GFADRO C[C@@H](C[NH+]1CCCCC1)NC(=O)c1ccc(Br)cc1-n1cncn1 ZINC000152820517 551440728 /nfs/dbraw/zinc/44/07/28/551440728.db2.gz IROLRQNBAVLTJJ-ZDUSSCGKSA-N 1 0 392.301 2.634 20 0 GFADRO C[C@@H](C[NH2+][C@@H](C)c1ccc(I)cc1)CN1CCOCC1 ZINC000153309978 551450156 /nfs/dbraw/zinc/45/01/56/551450156.db2.gz PZTXFEYCWFJPNG-KBPBESRZSA-N 1 0 388.293 2.910 20 0 GFADRO CN(C(=O)c1cn(-c2ccc(Br)cc2)cn1)[C@H]1CCC[N@H+](C)C1 ZINC000153413575 551452103 /nfs/dbraw/zinc/45/21/03/551452103.db2.gz ODKWNGLZJGVAAI-HNNXBMFYSA-N 1 0 377.286 2.801 20 0 GFADRO COC(=O)c1cc(Br)ccc1NC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000153558048 551455619 /nfs/dbraw/zinc/45/56/19/551455619.db2.gz PHWFOEXQYFLONP-CYBMUJFWSA-N 1 0 396.285 2.938 20 0 GFADRO C[C@H]1C[NH+](CCCNC(=O)Cc2ccc(Br)c(F)c2)C[C@H](C)O1 ZINC000153805343 551461013 /nfs/dbraw/zinc/46/10/13/551461013.db2.gz XJULFBUUOIORMA-STQMWFEESA-N 1 0 387.293 2.746 20 0 GFADRO CN1CC[NH+](CCCCNC(=O)N2CCc3ccc(Br)cc32)CC1 ZINC000154019943 551465424 /nfs/dbraw/zinc/46/54/24/551465424.db2.gz PEOSYHQZWJRMDJ-UHFFFAOYSA-N 1 0 395.345 2.549 20 0 GFADRO CC[C@@H](CO)[NH+]1CCN(Cc2cccc(Br)c2OC(F)F)CC1 ZINC000154518220 551476843 /nfs/dbraw/zinc/47/68/43/551476843.db2.gz AYSPQBUKNSNADK-ZDUSSCGKSA-N 1 0 393.272 2.939 20 0 GFADRO C[N@H+](CC(=O)N1CCO[C@H](c2ccc(Br)cc2)C1)[C@@H]1CCSC1 ZINC000154976263 551487558 /nfs/dbraw/zinc/48/75/58/551487558.db2.gz UZIVEWYKFKUUBF-CVEARBPZSA-N 1 0 399.354 2.786 20 0 GFADRO CN(C(=O)C[NH+]1CCC(C(=O)Nc2ccc(Br)cc2)CC1)C1CC1 ZINC000155159832 551493176 /nfs/dbraw/zinc/49/31/76/551493176.db2.gz UCJVAZSBXNCOKA-UHFFFAOYSA-N 1 0 394.313 2.720 20 0 GFADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(Cl)cc1Br ZINC000155246508 551495494 /nfs/dbraw/zinc/49/54/94/551495494.db2.gz FXDDBFDCNQHUAW-GFCCVEGCSA-N 1 0 375.694 2.943 20 0 GFADRO C[C@@H]1C[N@@H+](C)C[C@H](C)N1C(=O)c1ccc(-n2cc(Br)cn2)cc1 ZINC000155344603 551498007 /nfs/dbraw/zinc/49/80/07/551498007.db2.gz RDVPAFKIVUMTEI-BETUJISGSA-N 1 0 377.286 2.799 20 0 GFADRO COc1cc(C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)cc(OC)c1Br ZINC000155611216 551504228 /nfs/dbraw/zinc/50/42/28/551504228.db2.gz WSBHXPWYFYULEU-YPMHNXCESA-N 1 0 385.302 2.925 20 0 GFADRO O=C(NCC[NH+]1CCCCCC1)c1cc(=O)[nH]c2ccc(Br)cc21 ZINC000155925950 551510946 /nfs/dbraw/zinc/51/09/46/551510946.db2.gz JZMCTCMADVEUPE-UHFFFAOYSA-N 1 0 392.297 2.896 20 0 GFADRO CC[N@@H+]1CCCC[C@@H]1CNS(=O)(=O)c1cc(F)ccc1Br ZINC000156091865 551514271 /nfs/dbraw/zinc/51/42/71/551514271.db2.gz VHXQHHBMRKOBPS-GFCCVEGCSA-N 1 0 379.295 2.741 20 0 GFADRO C[C@H](CNC(=O)C(=O)Nc1ccc(Cl)cc1Br)[N@H+](C)C1CC1 ZINC000156121158 551515602 /nfs/dbraw/zinc/51/56/02/551515602.db2.gz TXALEBKQWYMEEG-SECBINFHSA-N 1 0 388.693 2.640 20 0 GFADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cc(C)c(Br)cc3C)C2)CC1 ZINC000156219258 551517684 /nfs/dbraw/zinc/51/76/84/551517684.db2.gz MAULOJWBNFNSFI-MRXNPFEDSA-N 1 0 394.357 2.918 20 0 GFADRO Cc1cc(C(=O)NC[C@H](O)C[NH+]2CCC(C)CC2)c(C)cc1Br ZINC000156472486 551523661 /nfs/dbraw/zinc/52/36/61/551523661.db2.gz ZETRUCYUKFIGQF-HNNXBMFYSA-N 1 0 383.330 2.889 20 0 GFADRO CCC[N@H+](CC)CCNC(=O)C(=O)Nc1ccc(Cl)cc1Br ZINC000156519836 551523980 /nfs/dbraw/zinc/52/39/80/551523980.db2.gz MYGKZLAQDFYXPP-UHFFFAOYSA-N 1 0 390.709 2.889 20 0 GFADRO CC(=O)N1CC[C@@H](C[N@@H+](C)[C@H](C)C(=O)Nc2cccc(Br)c2)C1 ZINC000156755767 551528196 /nfs/dbraw/zinc/52/81/96/551528196.db2.gz QJQMRCAXVYLFTD-OCCSQVGLSA-N 1 0 382.302 2.576 20 0 GFADRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)c1cc(=O)[nH]c2ccc(Br)cc21 ZINC000156776420 551528247 /nfs/dbraw/zinc/52/82/47/551528247.db2.gz UHXQIBIQNXGHLR-NSHDSACASA-N 1 0 390.281 2.505 20 0 GFADRO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)c1c(F)cccc1I ZINC000156813014 551528596 /nfs/dbraw/zinc/52/85/96/551528596.db2.gz UVYISGIRWRIVAY-LLVKDONJSA-N 1 0 388.224 2.644 20 0 GFADRO [NH3+]C[C@H]1CCC[C@@H]1NC(=O)CCc1nc(-c2cc(Br)cs2)no1 ZINC000157590398 551539879 /nfs/dbraw/zinc/53/98/79/551539879.db2.gz XQVXXQNGTWVZJW-KOLCDFICSA-N 1 0 399.314 2.737 20 0 GFADRO O=C(NCC1(c2ccc(Br)cc2)CCOCC1)[C@H]1CCC[NH2+]C1 ZINC000157714730 551541534 /nfs/dbraw/zinc/54/15/34/551541534.db2.gz JTSBSFGARZOCHH-AWEZNQCLSA-N 1 0 381.314 2.613 20 0 GFADRO C[C@@H](SCC[NH+](C)C)C(=O)Nc1cccc(I)c1 ZINC000157831464 551543457 /nfs/dbraw/zinc/54/34/57/551543457.db2.gz BGRXVNUMZGEXPH-SNVBAGLBSA-N 1 0 378.279 2.913 20 0 GFADRO [NH3+]C[C@H]1CCC[C@H]1NC(=O)CCC[S@@](=O)c1ccc(Br)cc1 ZINC000158006291 551545748 /nfs/dbraw/zinc/54/57/48/551545748.db2.gz ZNDXXOGITLURBF-SIMDFCGZSA-N 1 0 387.343 2.581 20 0 GFADRO [NH3+][C@@H]1CCCN(C(=O)c2cccn2-c2ccc(I)cc2)C1 ZINC000158165833 551547663 /nfs/dbraw/zinc/54/76/63/551547663.db2.gz JBJIZVPIHXRTKI-CYBMUJFWSA-N 1 0 395.244 2.645 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)N[C@@](C)(C[NH3+])C(C)C ZINC000158172530 551547763 /nfs/dbraw/zinc/54/77/63/551547763.db2.gz AKOSCTRRASNYHC-KSSFIOAISA-N 1 0 386.583 2.841 20 0 GFADRO O=C(N1CC[C@]2(CC[NH2+]C2)C1)C1(c2ccc(Br)cc2)CCOCC1 ZINC000158538228 551553267 /nfs/dbraw/zinc/55/32/67/551553267.db2.gz QAYQZRMKCHVRBP-SFHVURJKSA-N 1 0 393.325 2.709 20 0 GFADRO Cc1ccc(S(=O)(=O)C[C@@H](C)[NH2+]C2CCN(c3nccs3)CC2)cc1 ZINC000158553387 551553280 /nfs/dbraw/zinc/55/32/80/551553280.db2.gz QCCJLTDJEKAQTM-OAHLLOKOSA-N 1 0 379.551 2.872 20 0 GFADRO Cc1csc(N2CCC([NH2+]CCCS(=O)(=O)c3ccccc3)CC2)n1 ZINC000158636777 551554232 /nfs/dbraw/zinc/55/42/32/551554232.db2.gz YNJUOLZOKUVRLT-UHFFFAOYSA-N 1 0 379.551 2.874 20 0 GFADRO [NH3+][C@H]1CCC[C@@H](NC(=O)c2ccc(Cl)c(I)c2)C1 ZINC000161517789 551595562 /nfs/dbraw/zinc/59/55/62/551595562.db2.gz KUCKFYVQDBSDBA-VHSXEESVSA-N 1 0 378.641 2.944 20 0 GFADRO C[C@@H](NC(=O)C[C@@H]1CCC[NH2+]1)c1nc(-c2ccc(Br)cc2)no1 ZINC000163134548 551616985 /nfs/dbraw/zinc/61/69/85/551616985.db2.gz YLUZOIAGZIRIGD-MFKMUULPSA-N 1 0 379.258 2.818 20 0 GFADRO CC[N@@H+]1CC[C@H](CN[C@@H](C)c2ccc(S(=O)(=O)C(F)F)c(OC)c2)C1 ZINC000163273394 551618404 /nfs/dbraw/zinc/61/84/04/551618404.db2.gz NIEQUMAPKIGEFJ-QWHCGFSZSA-N 1 0 376.469 2.684 20 0 GFADRO CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)NC[C@@H]1CSCCS1 ZINC000163281582 551618514 /nfs/dbraw/zinc/61/85/14/551618514.db2.gz ONTYBSCSQDMBHP-QGZVFWFLSA-N 1 0 380.583 2.788 20 0 GFADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)CCCc1ccccc1Br ZINC000163532942 551620690 /nfs/dbraw/zinc/62/06/90/551620690.db2.gz VDQHJAQVYFILKE-MRXNPFEDSA-N 1 0 383.330 2.999 20 0 GFADRO C[C@H]1C[N@@H+](C2CCN(C(=O)[C@H](O)c3cc(Cl)cc(Cl)c3)CC2)CCO1 ZINC000163879442 551622893 /nfs/dbraw/zinc/62/28/93/551622893.db2.gz XWPWSLOHQFNYPQ-YVEFUNNKSA-N 1 0 387.307 2.739 20 0 GFADRO CC[NH+]1CCC(n2nccc2NC(=O)c2nc(SC)ncc2Cl)CC1 ZINC000170765981 551639178 /nfs/dbraw/zinc/63/91/78/551639178.db2.gz FJKRLLLSMZEASW-UHFFFAOYSA-N 1 0 380.905 2.958 20 0 GFADRO C[NH+](C)CC(=O)N1CCN(c2ccc(Br)cc2C(F)(F)F)CC1 ZINC000170770335 551639439 /nfs/dbraw/zinc/63/94/39/551639439.db2.gz VYFCSVLEDLJLOK-UHFFFAOYSA-N 1 0 394.235 2.678 20 0 GFADRO CC(C)C(=O)N1CCC[N@H+](CCC(=O)Nc2ccc(Br)cc2)CC1 ZINC000170821055 551640208 /nfs/dbraw/zinc/64/02/08/551640208.db2.gz SNBBUCZMAQJSRL-UHFFFAOYSA-N 1 0 396.329 2.968 20 0 GFADRO O=C(NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1)Nc1nncs1 ZINC000170961930 551644046 /nfs/dbraw/zinc/64/40/46/551644046.db2.gz FLXJJUYDFQQJEH-UHFFFAOYSA-N 1 0 380.905 2.525 20 0 GFADRO O=C(NC1CC[NH+](Cc2ccccn2)CC1)c1ccc(Br)cn1 ZINC000171382804 551654466 /nfs/dbraw/zinc/65/44/66/551654466.db2.gz VDNHRBWRUWHSRJ-UHFFFAOYSA-N 1 0 375.270 2.634 20 0 GFADRO C[C@H](NC(=O)C(=O)Nc1ccc(Br)cc1Cl)[C@@H]1CCC[NH2+]C1 ZINC000415353338 563769350 /nfs/dbraw/zinc/76/93/50/563769350.db2.gz LMSACHWULYVEQL-VHSXEESVSA-N 1 0 388.693 2.545 20 0 GFADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000171749516 551662749 /nfs/dbraw/zinc/66/27/49/551662749.db2.gz OSQUMZPWDQOQPH-NSHDSACASA-N 1 0 376.835 2.699 20 0 GFADRO Cc1cc(S(=O)(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)c(C)cc1Br ZINC000173024358 551692841 /nfs/dbraw/zinc/69/28/41/551692841.db2.gz XLMVVAGKFDYLQL-CYBMUJFWSA-N 1 0 387.343 2.829 20 0 GFADRO CC(C)(C[NH3+])NC(=O)Nc1nnc(-c2cc(Br)ccc2F)s1 ZINC000415494958 563779729 /nfs/dbraw/zinc/77/97/29/563779729.db2.gz DSBWPNDZWBFUKT-UHFFFAOYSA-N 1 0 388.266 2.966 20 0 GFADRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)S(=O)(=O)c1ccc(F)c(Br)c1 ZINC000173204013 552079507 /nfs/dbraw/zinc/07/95/07/552079507.db2.gz HRDWEILCDDDTRT-YGRLFVJLSA-N 1 0 379.295 2.549 20 0 GFADRO CC[N@H+](C)Cc1cccc(CNC(=O)c2c[nH]c(=O)c(Br)c2)c1 ZINC000173208006 552079590 /nfs/dbraw/zinc/07/95/90/552079590.db2.gz ZTYQCIJMGLBKQB-UHFFFAOYSA-N 1 0 378.270 2.519 20 0 GFADRO C[C@@H](c1ccc(Cl)cc1)[N@H+](CCNS(=O)(=O)c1cnn(C)c1)C1CC1 ZINC000173236337 552080467 /nfs/dbraw/zinc/08/04/67/552080467.db2.gz BMOSBUCFFBXFQQ-ZDUSSCGKSA-N 1 0 382.917 2.577 20 0 GFADRO COC(C)(C)CNC(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000173239028 552080551 /nfs/dbraw/zinc/08/05/51/552080551.db2.gz WZAARSQQXWKKTH-UHFFFAOYSA-N 1 0 386.334 2.947 20 0 GFADRO CC(C)n1cc(Br)cc1C(=O)N(C)CCCN1CC[NH+](C)CC1 ZINC000173295067 552082033 /nfs/dbraw/zinc/08/20/33/552082033.db2.gz HTDLHYGCEAEACK-UHFFFAOYSA-N 1 0 385.350 2.541 20 0 GFADRO CC[NH+]1CCN([C@H](C)CNC(=O)[C@H](C)c2ccc(Br)s2)CC1 ZINC000173395496 552085000 /nfs/dbraw/zinc/08/50/00/552085000.db2.gz RYUIAGNYEMYFNC-CHWSQXEVSA-N 1 0 388.375 2.756 20 0 GFADRO CC[NH+]1CCN([C@@H](C)CNC(=O)[C@H](C)c2ccc(Br)s2)CC1 ZINC000173395486 552085333 /nfs/dbraw/zinc/08/53/33/552085333.db2.gz RYUIAGNYEMYFNC-QWHCGFSZSA-N 1 0 388.375 2.756 20 0 GFADRO CC[NH+]1CCC(CCNS(=O)(=O)c2sccc2Br)CC1 ZINC000173514090 552086973 /nfs/dbraw/zinc/08/69/73/552086973.db2.gz SAUVLGOTSUWYIK-UHFFFAOYSA-N 1 0 381.361 2.911 20 0 GFADRO O=C(NC[C@@H]1CCC[N@@H+]1CC1CCCCC1)c1c[nH]c(=O)c(Br)c1 ZINC000173637561 552090006 /nfs/dbraw/zinc/09/00/06/552090006.db2.gz IHDPHFCZZBXHMA-HNNXBMFYSA-N 1 0 396.329 2.912 20 0 GFADRO COCCOC[C@@H]1CC[N@H+](Cc2nnc(-c3ccc(Br)o3)o2)C1 ZINC000174102341 552099134 /nfs/dbraw/zinc/09/91/34/552099134.db2.gz JJIJPFFLAMPBNZ-LLVKDONJSA-N 1 0 386.246 2.577 20 0 GFADRO COCCOC[C@@H]1CC[N@H+](C[C@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000174115170 552099489 /nfs/dbraw/zinc/09/94/89/552099489.db2.gz GKMFAVJEQQAEFP-KGLIPLIRSA-N 1 0 378.296 2.718 20 0 GFADRO CC(C)(CCS(C)(=O)=O)[NH2+]Cc1csc(-c2ccc3c(c2)OCO3)n1 ZINC000174640729 552107525 /nfs/dbraw/zinc/10/75/25/552107525.db2.gz WKCRJZOLHFBOHD-UHFFFAOYSA-N 1 0 382.507 2.842 20 0 GFADRO Cc1nc(SCCC(=O)NCC2CC[NH+](Cc3cccs3)CC2)n[nH]1 ZINC000174674761 552108016 /nfs/dbraw/zinc/10/80/16/552108016.db2.gz RLXBLUUYXQIMBZ-UHFFFAOYSA-N 1 0 379.555 2.685 20 0 GFADRO C[N@H+]1[C@@H]2CC[C@H]1CCN(C(=O)c1cnn(-c3cccc(Br)c3)c1)C2 ZINC000174653412 552108075 /nfs/dbraw/zinc/10/80/75/552108075.db2.gz RCXLHAUSNHTBSP-DOTOQJQBSA-N 1 0 389.297 2.944 20 0 GFADRO COc1cc(NC(=O)Nc2ccn(CC[NH+](C)C)n2)ccc1Br ZINC000174882037 552112063 /nfs/dbraw/zinc/11/20/63/552112063.db2.gz IORMKFIKUVDMAA-UHFFFAOYSA-N 1 0 382.262 2.860 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@H](NS(=O)(=O)c2ccc(Br)c(F)c2)C1 ZINC000175090524 552115925 /nfs/dbraw/zinc/11/59/25/552115925.db2.gz KCCVFEITMMIFIX-WDEREUQCSA-N 1 0 379.295 2.739 20 0 GFADRO Cc1ccc(-n2cnnc2SCC(=O)N2CC[NH2+]C(C)(C)C2)cc1Cl ZINC000175407336 552121116 /nfs/dbraw/zinc/12/11/16/552121116.db2.gz DSMOJWRBNMHXDX-UHFFFAOYSA-N 1 0 379.917 2.532 20 0 GFADRO COc1ccc(Cl)c(S(=O)(=O)NC2CC[NH+](CCOC(C)C)CC2)c1 ZINC000175451754 552122224 /nfs/dbraw/zinc/12/22/24/552122224.db2.gz JKAVZISKMGUZKX-UHFFFAOYSA-N 1 0 390.933 2.516 20 0 GFADRO C[C@H](CNC(=O)NC[C@@H]1CCC[N@H+](C)C1)Oc1ccccc1Br ZINC000175748692 552128025 /nfs/dbraw/zinc/12/80/25/552128025.db2.gz LLOLVEJRTDWCQX-KGLIPLIRSA-N 1 0 384.318 2.857 20 0 GFADRO C[C@@H](NC(=O)c1cc(=O)[nH]c2ccc(Br)cc21)C(C)(C)C[NH+](C)C ZINC000175810252 552129763 /nfs/dbraw/zinc/12/97/63/552129763.db2.gz GIAFFWDDAZDQFB-LLVKDONJSA-N 1 0 394.313 2.997 20 0 GFADRO O=C(c1c(F)cc(Br)cc1F)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000176542261 552140886 /nfs/dbraw/zinc/14/08/86/552140886.db2.gz GKAPFLLQKITCFO-LLVKDONJSA-N 1 0 389.240 2.522 20 0 GFADRO C[C@H]1C[NH+](CCCCNC(=O)Cc2ccc(Br)cc2)C[C@H](C)O1 ZINC000176690201 552144087 /nfs/dbraw/zinc/14/40/87/552144087.db2.gz GMJQPQDOMWTDHG-GJZGRUSLSA-N 1 0 383.330 2.997 20 0 GFADRO COc1ccc(Cl)cc1C[N@H+](C)CCC(=O)NC(=O)NCC(F)(F)F ZINC000176992364 552148673 /nfs/dbraw/zinc/14/86/73/552148673.db2.gz HPVHBFQFKKABOQ-UHFFFAOYSA-N 1 0 381.782 2.559 20 0 GFADRO C[NH+](C)C1CCN(CCNC(=O)[C@H]2C[C@@H]2c2cccc(Br)c2)CC1 ZINC000177151286 552150654 /nfs/dbraw/zinc/15/06/54/552150654.db2.gz MJYQADTXYUPMDR-MSOLQXFVSA-N 1 0 394.357 2.695 20 0 GFADRO C[C@@H]([NH2+]CCc1ccsc1)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000177726875 552157753 /nfs/dbraw/zinc/15/77/53/552157753.db2.gz AVNGJVQGIVKHRU-OAHLLOKOSA-N 1 0 380.535 2.662 20 0 GFADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)NCCOc2cccc(Br)c2)C1 ZINC000177861692 552159836 /nfs/dbraw/zinc/15/98/36/552159836.db2.gz CUJAVPPCHZYQHE-AWEZNQCLSA-N 1 0 384.318 2.811 20 0 GFADRO O=C(c1cc(Cl)ccc1Br)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000178101389 552164272 /nfs/dbraw/zinc/16/42/72/552164272.db2.gz VLXZURRYAVROJO-LBPRGKRZSA-N 1 0 387.705 2.897 20 0 GFADRO COc1cc(OC)c(OC)cc1C[NH2+][C@@H](C)Cn1cc(Br)cn1 ZINC000178316658 552169209 /nfs/dbraw/zinc/16/92/09/552169209.db2.gz OVARZRLWAVRLEW-NSHDSACASA-N 1 0 384.274 2.850 20 0 GFADRO C[C@@H]([NH2+]C[C@H](O)COc1ccc(I)cc1)c1ccoc1 ZINC000178519824 552172144 /nfs/dbraw/zinc/17/21/44/552172144.db2.gz WSVWSYICWYCUJP-RISCZKNCSA-N 1 0 387.217 2.975 20 0 GFADRO C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)C2([NH3+])CCCC2)CC1 ZINC000178821776 552176667 /nfs/dbraw/zinc/17/66/67/552176667.db2.gz PQBSIEBEYTWXOP-CQSZACIVSA-N 1 0 380.330 2.926 20 0 GFADRO O=C(C[C@@H]1CCC[NH2+]1)NC1CCN(Cc2ccc(Br)cc2)CC1 ZINC000178856583 552177075 /nfs/dbraw/zinc/17/70/75/552177075.db2.gz AIURATFLIGOFQV-KRWDZBQOSA-N 1 0 380.330 2.672 20 0 GFADRO CN(C(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1)[C@@H]1CC[NH2+]C1 ZINC000179109767 552184298 /nfs/dbraw/zinc/18/42/98/552184298.db2.gz GJGAIIMXXVARCD-ZIAGYGMSSA-N 1 0 384.307 2.666 20 0 GFADRO Cc1ccc(C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)c(Br)c1 ZINC000179104772 552184487 /nfs/dbraw/zinc/18/44/87/552184487.db2.gz JSFJJEKXDLABMK-CQSZACIVSA-N 1 0 381.314 2.988 20 0 GFADRO CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H](C)c2ncc(Br)s2)CC1 ZINC000179224816 552187539 /nfs/dbraw/zinc/18/75/39/552187539.db2.gz PDKGHRZURAIJIE-STQMWFEESA-N 1 0 375.380 2.830 20 0 GFADRO CN1C(=O)NC2(CC[NH+]([C@H]3CCCc4ccc(Br)cc43)CC2)C1=O ZINC000179709856 552201022 /nfs/dbraw/zinc/20/10/22/552201022.db2.gz SRRKBPAWJJVPEZ-HNNXBMFYSA-N 1 0 392.297 2.843 20 0 GFADRO C[C@@H]1C[N@@H+](CCCCNC(=O)c2ccc(Br)cc2O)C[C@H](C)O1 ZINC000179761200 552202049 /nfs/dbraw/zinc/20/20/49/552202049.db2.gz DZPGXBISBNESBS-BETUJISGSA-N 1 0 385.302 2.774 20 0 GFADRO C[N@@H+]1CC[C@H](CNC(=O)c2cc(Br)cc(Br)c2)C1 ZINC000179801828 552203625 /nfs/dbraw/zinc/20/36/25/552203625.db2.gz UVRKRZWROZIMIP-SECBINFHSA-N 1 0 376.092 2.893 20 0 GFADRO CC(C)CS(=O)(=O)N1CCC([NH2+][C@H](C)c2ccc([S@](C)=O)cc2)CC1 ZINC000180015726 552209785 /nfs/dbraw/zinc/20/97/85/552209785.db2.gz WRXHYZAOWLUEDE-MYYSRTQBSA-N 1 0 386.583 2.525 20 0 GFADRO CN1CCN(C(=O)CC[NH2+][C@@H](c2ccc(Br)cc2)C2CC2)CC1 ZINC000180091426 552212518 /nfs/dbraw/zinc/21/25/18/552212518.db2.gz QVJCBDQUNCTJJX-GOSISDBHSA-N 1 0 380.330 2.654 20 0 GFADRO CC(C)[C@@H]([NH2+][C@@H]1CCc2c1cccc2Br)C(=O)N1CCOCC1 ZINC000180146828 552214752 /nfs/dbraw/zinc/21/47/52/552214752.db2.gz OTPXJFKHVXZPSL-IAGOWNOFSA-N 1 0 381.314 2.909 20 0 GFADRO Cc1csc(NC(=O)C[NH2+]C(C)(C)COc2ncccc2Br)n1 ZINC000180394046 552224867 /nfs/dbraw/zinc/22/48/67/552224867.db2.gz BNHGHBJSPWPTQO-UHFFFAOYSA-N 1 0 399.314 2.995 20 0 GFADRO C[C@H]([NH2+]CCS(=O)(=O)NC[C@H]1CCCCO1)c1ccc(F)c(Cl)c1 ZINC000180743187 552234641 /nfs/dbraw/zinc/23/46/41/552234641.db2.gz NBKSUBNKXKHNCH-GXTWGEPZSA-N 1 0 378.897 2.618 20 0 GFADRO C[C@H](Cn1cc(Br)cn1)[NH2+][C@H]1CCN(c2ccccc2F)C1=O ZINC000180771233 552235608 /nfs/dbraw/zinc/23/56/08/552235608.db2.gz LOEFGAAAVCLJCT-RISCZKNCSA-N 1 0 381.249 2.568 20 0 GFADRO Cc1cc(C(=O)NC[C@@](C)(O)C[NH+](C)C)nn1-c1ccc(Cl)cc1Cl ZINC000180778070 552235664 /nfs/dbraw/zinc/23/56/64/552235664.db2.gz AHMCNQDHUPRLQH-QGZVFWFLSA-N 1 0 385.295 2.530 20 0 GFADRO COc1ccc([C@H](C)[NH2+]CC2CCN(S(=O)(=O)C(F)F)CC2)c(F)c1 ZINC000180801686 552236204 /nfs/dbraw/zinc/23/62/04/552236204.db2.gz DXQCVXSYSYAHEE-NSHDSACASA-N 1 0 380.432 2.749 20 0 GFADRO C[C@@H](Cn1cc(Br)cn1)[NH2+]CCc1nc2c(cccc2F)n1C ZINC000180862175 552238469 /nfs/dbraw/zinc/23/84/69/552238469.db2.gz HWRMPWFJVFKDHQ-NSHDSACASA-N 1 0 380.265 2.892 20 0 GFADRO CC(=O)Nc1cc(C)c(S(=O)(=O)Nc2ccncc2)cc1Br ZINC000180904798 552239721 /nfs/dbraw/zinc/23/97/21/552239721.db2.gz IUMWMRMIHHRSSY-UHFFFAOYSA-N 1 0 384.255 2.912 20 0 GFADRO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@@H]1CC(=O)N(C2CC2)C1 ZINC000181219469 552250256 /nfs/dbraw/zinc/25/02/56/552250256.db2.gz IMAUZJDCJHZVDD-BXUZGUMPSA-N 1 0 380.286 2.519 20 0 GFADRO COc1cc([C@@H](C)[NH2+]Cc2ccc([S@@](C)=O)cc2)ccc1S(C)(=O)=O ZINC000181250931 552251333 /nfs/dbraw/zinc/25/13/33/552251333.db2.gz ZSOKEJFQIXBHRG-YEBMWUKDSA-N 1 0 381.519 2.687 20 0 GFADRO COc1cc([C@@H](C)[NH2+]CCOc2ncccc2Cl)ccc1S(C)(=O)=O ZINC000181322695 552252979 /nfs/dbraw/zinc/25/29/79/552252979.db2.gz QNWMVLWIQWTQAS-GFCCVEGCSA-N 1 0 384.885 2.877 20 0 GFADRO C[C@H](NC(=O)c1c[nH]c(=O)c(Br)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181456192 552256904 /nfs/dbraw/zinc/25/69/04/552256904.db2.gz RLIPMONFWAUORP-RYUDHWBXSA-N 1 0 382.302 2.520 20 0 GFADRO CC[C@H]([NH2+]C1CCN(CC(=O)NC)CC1)c1cc(F)cc(Br)c1 ZINC000181478891 552257650 /nfs/dbraw/zinc/25/76/50/552257650.db2.gz APKKJCWDVTTWTF-INIZCTEOSA-N 1 0 386.309 2.839 20 0 GFADRO O=C(NCc1ccc(Cl)s1)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000181554670 552260752 /nfs/dbraw/zinc/26/07/52/552260752.db2.gz WTDKEQWPZLIXAX-OAHLLOKOSA-N 1 0 379.913 2.968 20 0 GFADRO C[C@@H]1CCc2c(F)cccc2[C@H]1[NH2+]C[C@H](O)CS(=O)(=O)c1cccs1 ZINC000181634756 552263159 /nfs/dbraw/zinc/26/31/59/552263159.db2.gz GPQRXXZPYIIGAO-VBHSOAQHSA-N 1 0 383.510 2.935 20 0 GFADRO O=S(=O)(Cc1ccc(Cl)cc1Cl)NCCCC[N@H+]1CCC[C@@H]1CO ZINC000181653251 552264189 /nfs/dbraw/zinc/26/41/89/552264189.db2.gz YUWAQNNSDOJLKH-OAHLLOKOSA-N 1 0 395.352 2.650 20 0 GFADRO C[C@@H]([NH2+]C[C@H]1CCCN1S(C)(=O)=O)c1cc(Br)ccc1F ZINC000181691568 552265274 /nfs/dbraw/zinc/26/52/74/552265274.db2.gz ZETXVXRGLUGCRN-ZYHUDNBSSA-N 1 0 379.295 2.663 20 0 GFADRO Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+]C[C@H]1CCCN1S(C)(=O)=O ZINC000181693941 552265286 /nfs/dbraw/zinc/26/52/86/552265286.db2.gz YYHOJXUOSWQAMM-IUODEOHRSA-N 1 0 380.539 2.588 20 0 GFADRO Cc1cc(Br)ccc1CC(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000181805513 552268275 /nfs/dbraw/zinc/26/82/75/552268275.db2.gz CBFLYPKVBHOXED-MRXNPFEDSA-N 1 0 395.341 2.871 20 0 GFADRO Cc1cc(Br)ccc1CC(=O)NC[C@@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000181876481 552269953 /nfs/dbraw/zinc/26/99/53/552269953.db2.gz UAVNNZCEEWPKRU-SFHVURJKSA-N 1 0 396.373 2.688 20 0 GFADRO C[C@@H]([NH2+][C@H](CC(N)=O)C1CCOCC1)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000181955883 552271461 /nfs/dbraw/zinc/27/14/61/552271461.db2.gz UKNDFMOPENGBGA-MEBBXXQBSA-N 1 0 388.295 2.581 20 0 GFADRO CC1(C)[C@H]([NH2+]CCNC(=O)c2cccc(Br)c2)[C@@H]2CCCO[C@@H]21 ZINC000181958699 552271667 /nfs/dbraw/zinc/27/16/67/552271667.db2.gz ATLDFAJOMVUPBL-XHSDSOJGSA-N 1 0 381.314 2.972 20 0 GFADRO CCO[C@H]1C[C@H]([NH2+]CC2CCN(S(=O)(=O)C(F)F)CC2)C12CCCC2 ZINC000181953663 552271733 /nfs/dbraw/zinc/27/17/33/552271733.db2.gz PUQUGCZFQXOLIP-GJZGRUSLSA-N 1 0 380.501 2.578 20 0 GFADRO NC(=O)C[C@H]([NH2+]C[C@H](O)COc1cccc(Br)c1)C1CCCCC1 ZINC000182027465 552273232 /nfs/dbraw/zinc/27/32/32/552273232.db2.gz IDHFDULFAQHLBW-RDJZCZTQSA-N 1 0 399.329 2.603 20 0 GFADRO COc1cc(Br)ccc1C[N@H+](CCO)CCOCC(F)(F)F ZINC000182187038 552277506 /nfs/dbraw/zinc/27/75/06/552277506.db2.gz DWHNWLKMTKVKPF-UHFFFAOYSA-N 1 0 386.208 2.831 20 0 GFADRO CCOC(=O)C1CCC([NH2+]CCNC(=O)c2cccc(Br)c2)CC1 ZINC000182205968 552278246 /nfs/dbraw/zinc/27/82/46/552278246.db2.gz JMWWOXVOBZZQFC-UHFFFAOYSA-N 1 0 397.313 2.890 20 0 GFADRO CCOC(=O)COc1c(Br)cc(C)cc1C[NH2+]C[C@H]1CCCO1 ZINC000182242804 552279200 /nfs/dbraw/zinc/27/92/00/552279200.db2.gz HIQPJJDLYYVZRV-CQSZACIVSA-N 1 0 386.286 2.968 20 0 GFADRO CC[C@@H]([NH2+]CCS(=O)(=O)c1cccc(Br)c1)[C@@H]1CCCO1 ZINC000182277771 552280410 /nfs/dbraw/zinc/28/04/10/552280410.db2.gz QTLUBRWIGWVAHZ-CABCVRRESA-N 1 0 376.316 2.770 20 0 GFADRO COC(=O)c1cc(NC(=O)NC[C@@H]2CCC[N@H+](C)C2)ccc1Br ZINC000182617758 552288717 /nfs/dbraw/zinc/28/87/17/552288717.db2.gz FFICEOSUDFDOFU-NSHDSACASA-N 1 0 384.274 2.699 20 0 GFADRO CCOC(=O)C[C@@H](C)[N@H+](C)CC(=O)N(C)Cc1ccccc1Br ZINC000182659741 552290301 /nfs/dbraw/zinc/29/03/01/552290301.db2.gz BNIMERJWWPMQRV-CYBMUJFWSA-N 1 0 385.302 2.681 20 0 GFADRO Cc1cc(NC(=O)C(=O)NCCCCCCC[NH+](C)C)cnc1Br ZINC000182723170 552291176 /nfs/dbraw/zinc/29/11/76/552291176.db2.gz GGRXKFQYKMYMHA-UHFFFAOYSA-N 1 0 399.333 2.719 20 0 GFADRO CCS(=O)(=O)C[C@H](C)[NH2+][C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000182969050 552297414 /nfs/dbraw/zinc/29/74/14/552297414.db2.gz UWSUVRDRDWUYJU-XJKSGUPXSA-N 1 0 378.460 2.693 20 0 GFADRO CC[NH2+]CC1CCN(S(=O)(=O)c2cc(F)c(Br)cc2F)CC1 ZINC000183190986 552302446 /nfs/dbraw/zinc/30/24/46/552302446.db2.gz KCIONHUFCJCZFZ-UHFFFAOYSA-N 1 0 397.285 2.738 20 0 GFADRO Cc1c([C@H](C)[NH2+]CC(=O)Nc2ccc(I)cc2)cnn1C ZINC000183410414 552308512 /nfs/dbraw/zinc/30/85/12/552308512.db2.gz SFTJFOOCHDZARF-JTQLQIEISA-N 1 0 398.248 2.622 20 0 GFADRO O=C(NCc1ccccc1C[N@H+]1CC[C@H](O)C1)c1coc(Br)c1 ZINC000183414186 552308649 /nfs/dbraw/zinc/30/86/49/552308649.db2.gz CITGRIQSWPHZRA-HNNXBMFYSA-N 1 0 379.254 2.539 20 0 GFADRO COC[C@H]([NH2+]Cc1nnnn1-c1ccc(Cl)cc1C(F)(F)F)C1CC1 ZINC000183479491 552310457 /nfs/dbraw/zinc/31/04/57/552310457.db2.gz HZZMAKYBQRGSQJ-LBPRGKRZSA-N 1 0 375.782 2.849 20 0 GFADRO CCC[N@H+](CC)CCNC(=O)C(=O)Nc1ccc(Cl)cc1OC(F)F ZINC000183551169 552312918 /nfs/dbraw/zinc/31/29/18/552312918.db2.gz NCJWSDMRYJFHLC-UHFFFAOYSA-N 1 0 377.819 2.728 20 0 GFADRO COc1ccc(CN2CC[C@H]([NH2+]Cc3cncc(Br)c3)C2=O)cc1 ZINC000183710524 552317554 /nfs/dbraw/zinc/31/75/54/552317554.db2.gz QJOSZOZALSFJKD-KRWDZBQOSA-N 1 0 390.281 2.743 20 0 GFADRO CC(=O)N1CCC(C[NH2+]Cc2cn(-c3ccc(Cl)c(Cl)c3)nn2)CC1 ZINC000183737226 552318015 /nfs/dbraw/zinc/31/80/15/552318015.db2.gz IMSQSMVPLAZUBN-UHFFFAOYSA-N 1 0 382.295 2.922 20 0 GFADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)c1[nH]c2ccccc2c1Br ZINC000184072108 552326808 /nfs/dbraw/zinc/32/68/08/552326808.db2.gz VMWLQAXJRONYKD-ZDUSSCGKSA-N 1 0 393.329 2.686 20 0 GFADRO Cc1cc(C(=O)N[C@H](C)CC[NH+]2CCN(C)CC2)c(C)cc1Br ZINC000184353866 552333156 /nfs/dbraw/zinc/33/31/56/552333156.db2.gz OOCPRYHNOWVQAR-OAHLLOKOSA-N 1 0 382.346 2.822 20 0 GFADRO COc1cc(C[NH2+]C[C@@H](C)c2ncc(C)s2)cc(Cl)c1OCC(N)=O ZINC000184345049 552333342 /nfs/dbraw/zinc/33/33/42/552333342.db2.gz AVNUZFWQNGDJIS-SNVBAGLBSA-N 1 0 383.901 2.871 20 0 GFADRO CC[C@@H]([NH2+]CCOc1ccc(S(=O)(=O)N(C)C)cc1)c1nc(C)cs1 ZINC000184348486 552333564 /nfs/dbraw/zinc/33/35/64/552333564.db2.gz QHEMTMCREHYBPM-MRXNPFEDSA-N 1 0 383.539 2.822 20 0 GFADRO CC[C@@H](CO)N1CCN(C(=O)Nc2ccc(Cl)cc2OC(F)F)CC1 ZINC000184390066 552334779 /nfs/dbraw/zinc/33/47/79/552334779.db2.gz MNALVQHRIWOUFA-LBPRGKRZSA-N 1 0 377.819 2.862 20 0 GFADRO C[C@H](NCC(=O)N1CCN(Cc2cccc(Cl)c2)CC1)c1nccs1 ZINC000184398905 552334867 /nfs/dbraw/zinc/33/48/67/552334867.db2.gz VRVILCVSQHSLLE-AWEZNQCLSA-N 1 0 378.929 2.792 20 0 GFADRO CN(CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)Cc1ccc(Br)o1 ZINC000184935602 552348095 /nfs/dbraw/zinc/34/80/95/552348095.db2.gz XUCPJYALKFOCCW-INIZCTEOSA-N 1 0 394.313 2.893 20 0 GFADRO Cc1c(Br)scc1C(=O)NC[C@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000184945625 552349022 /nfs/dbraw/zinc/34/90/22/552349022.db2.gz ULWRKUQNJQLNSZ-CQSZACIVSA-N 1 0 388.375 2.821 20 0 GFADRO NC(=O)c1cccc(CC[NH2+]Cc2cc(Br)cc3c2OCC3)c1 ZINC000185033247 552351685 /nfs/dbraw/zinc/35/16/85/552351685.db2.gz IMGONHQCNBZDOX-UHFFFAOYSA-N 1 0 375.266 2.815 20 0 GFADRO C[NH+](C)CCOc1cccc(CNC(=O)c2ccc(Br)cc2N)c1 ZINC000185246751 552358403 /nfs/dbraw/zinc/35/84/03/552358403.db2.gz QRWUNSUBEDICRA-UHFFFAOYSA-N 1 0 392.297 2.902 20 0 GFADRO C[NH+]1CCC(NS(=O)(=O)c2ccc3cc(Br)ccc3c2)CC1 ZINC000186120384 552379138 /nfs/dbraw/zinc/37/91/38/552379138.db2.gz FQIBCDWIFJEBCM-UHFFFAOYSA-N 1 0 383.311 2.975 20 0 GFADRO O=C(NCC1=CC[NH2+]CC1)[C@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1 ZINC000186386060 552386684 /nfs/dbraw/zinc/38/66/84/552386684.db2.gz LGEROUIPANJYFC-MRXNPFEDSA-N 1 0 382.291 2.634 20 0 GFADRO Brc1cncc(C[NH2+]Cc2ccccc2CN2CCOCC2)c1 ZINC000186579981 552391339 /nfs/dbraw/zinc/39/13/39/552391339.db2.gz DQFHQWKBYKJMHN-UHFFFAOYSA-N 1 0 376.298 2.966 20 0 GFADRO CC[N@H+](C)CCNS(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCCCO1 ZINC000186698955 552395404 /nfs/dbraw/zinc/39/54/04/552395404.db2.gz XOVXVABEYGLLGT-HNNXBMFYSA-N 1 0 390.933 2.518 20 0 GFADRO CS(=O)(=O)[C@@H]1CCCC[C@@H]1[NH2+]CCc1ccc(OCC(F)(F)F)nc1 ZINC000186745855 552396748 /nfs/dbraw/zinc/39/67/48/552396748.db2.gz SJIOKFJESCKZDM-UONOGXRCSA-N 1 0 380.432 2.511 20 0 GFADRO C(CN1CCSC2(CCOCC2)C1)C[N@@H+]1CCSC2(CCOCC2)C1 ZINC000186816237 552398264 /nfs/dbraw/zinc/39/82/64/552398264.db2.gz NBZDLDKJVQWDFZ-UHFFFAOYSA-N 1 0 386.627 2.573 20 0 GFADRO COc1nc(C)c(Br)cc1C(=O)N(CC[NH+](C)C)Cc1ccco1 ZINC000186787905 552398441 /nfs/dbraw/zinc/39/84/41/552398441.db2.gz MYDHSFDFXKVPEY-UHFFFAOYSA-N 1 0 396.285 2.958 20 0 GFADRO C[C@H]([NH2+]C1CCC(S(C)(=O)=O)CC1)c1ncc(Br)cc1F ZINC000187351543 552413432 /nfs/dbraw/zinc/41/34/32/552413432.db2.gz MNOPSZATHWUHKC-GCVQQVDUSA-N 1 0 379.295 2.990 20 0 GFADRO O=C([C@H]1CCC[N@@H+]1C1CCOCC1)N1Cc2cccc(Br)c2C1 ZINC000187393601 552414527 /nfs/dbraw/zinc/41/45/27/552414527.db2.gz FVPRSGHIZBRYTK-QGZVFWFLSA-N 1 0 379.298 2.935 20 0 GFADRO C[C@H](Cn1cc(Br)cn1)[NH2+][C@H](CC(N)=O)c1cccc(Cl)c1 ZINC000187517378 552417867 /nfs/dbraw/zinc/41/78/67/552417867.db2.gz MZIQFPOJEJVGLV-QMTHXVAHSA-N 1 0 385.693 2.894 20 0 GFADRO Nc1cc[nH+]cc1C(=O)NCC1(c2ccc(Br)cc2)CCOCC1 ZINC000187635272 552420780 /nfs/dbraw/zinc/42/07/80/552420780.db2.gz MMDFBVGJHBYULR-UHFFFAOYSA-N 1 0 390.281 2.905 20 0 GFADRO CCO[C@H]1C[C@]([NH3+])(C(=O)NCc2ccc(OC)c(Br)c2)C1(C)C ZINC000187623676 552420896 /nfs/dbraw/zinc/42/08/96/552420896.db2.gz QYZFCYLKBPEVEO-YOEHRIQHSA-N 1 0 385.302 2.606 20 0 GFADRO C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]Cc1cc(C(N)=O)co1 ZINC000187733160 552423148 /nfs/dbraw/zinc/42/31/48/552423148.db2.gz XOZWFUKSBXUIHK-JTQLQIEISA-N 1 0 380.242 2.648 20 0 GFADRO CCO[C@H]1C[C@@]([NH3+])(C(=O)NC[C@H](O)c2cc(Cl)cc(Cl)c2)C1(C)C ZINC000187811228 552424600 /nfs/dbraw/zinc/42/46/00/552424600.db2.gz LSDNQKZGBNKVPU-GRDNDAEWSA-N 1 0 375.296 2.676 20 0 GFADRO COc1ccc2c(c1)[C@@H]([NH2+]CC1CCN(S(C)(=O)=O)CC1)CCCS2 ZINC000187906722 552427719 /nfs/dbraw/zinc/42/77/19/552427719.db2.gz FQCXQYZBPQKXBK-KRWDZBQOSA-N 1 0 384.567 2.883 20 0 GFADRO Cc1ccc(CC(=O)NC[C@@H](C(C)C)[NH+]2CCN(C)CC2)cc1Br ZINC000187922771 552428300 /nfs/dbraw/zinc/42/83/00/552428300.db2.gz QKKSVLMUNFOFOQ-SFHVURJKSA-N 1 0 396.373 2.688 20 0 GFADRO Cc1cc(Br)cc(NC(=O)C(=O)N2CCC([NH2+]C(C)C)CC2)c1 ZINC000188150075 552437105 /nfs/dbraw/zinc/43/71/05/552437105.db2.gz VHGPNSJSSKDPRM-UHFFFAOYSA-N 1 0 382.302 2.685 20 0 GFADRO C[C@@H]([NH2+]CCN1C(=O)CNC1=O)c1ccc(Br)cc1C(F)(F)F ZINC000188407021 552444585 /nfs/dbraw/zinc/44/45/85/552444585.db2.gz OMRULEBXZPPHGF-MRVPVSSYSA-N 1 0 394.191 2.670 20 0 GFADRO Cc1cccc(CNC(=O)NC2CCN(CC[NH+](C)C)CC2)c1Br ZINC000188581834 552449037 /nfs/dbraw/zinc/44/90/37/552449037.db2.gz XKCNRQDKXHEFKK-UHFFFAOYSA-N 1 0 397.361 2.583 20 0 GFADRO O=C(c1ccc(I)cc1Cl)N1CC[NH+]2CCC1CC2 ZINC000188607072 552450252 /nfs/dbraw/zinc/45/02/52/552450252.db2.gz ZLDLQGMVCXGPKF-UHFFFAOYSA-N 1 0 390.652 2.865 20 0 GFADRO C[C@@H](Cc1ccc(Br)cc1)C(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000188680346 552451973 /nfs/dbraw/zinc/45/19/73/552451973.db2.gz UUDOSEVURMHXMK-GJZGRUSLSA-N 1 0 397.357 2.931 20 0 GFADRO C[C@H]1CN(C(=O)CCOc2cccc(Br)c2)CC[N@@H+]1CC(C)(C)O ZINC000188731414 552453329 /nfs/dbraw/zinc/45/33/29/552453329.db2.gz AMZZJLAAGDSYCG-AWEZNQCLSA-N 1 0 399.329 2.522 20 0 GFADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCc2cc(Br)ccc2C1 ZINC000188803651 552455845 /nfs/dbraw/zinc/45/58/45/552455845.db2.gz BGUBRDDHPVLZNL-QGZVFWFLSA-N 1 0 396.329 2.628 20 0 GFADRO COc1sc(CN2CC[N@H+](CC(C)(C)O)[C@H](C)C2)cc1Br ZINC000188895591 552457971 /nfs/dbraw/zinc/45/79/71/552457971.db2.gz RGUQHORUCVPQJV-LLVKDONJSA-N 1 0 377.348 2.796 20 0 GFADRO O=S(=O)(C[C@@H](O)C[NH2+][C@@H]1CC[C@H](Cc2ccccc2)C1)c1cccs1 ZINC000189355276 552469470 /nfs/dbraw/zinc/46/94/70/552469470.db2.gz XNXTYECQLSSIRK-KURKYZTESA-N 1 0 379.547 2.884 20 0 GFADRO O=C(Nc1cccc(Br)c1)C(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000189396114 552470948 /nfs/dbraw/zinc/47/09/48/552470948.db2.gz ASVOMOGHMMVKIL-INIZCTEOSA-N 1 0 394.313 2.865 20 0 GFADRO CCS[C@H]1CCCC[C@H]1[NH2+]CCOc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000189484021 552472716 /nfs/dbraw/zinc/47/27/16/552472716.db2.gz ZOJDBJSFOZGXAI-MSOLQXFVSA-N 1 0 386.583 2.970 20 0 GFADRO COC(=O)c1scc(C)c1S(=O)(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000189672247 552477290 /nfs/dbraw/zinc/47/72/90/552477290.db2.gz PGJKJKOUOZNFMJ-UHFFFAOYSA-N 1 0 388.555 2.776 20 0 GFADRO C[C@@H]([NH2+]CCOCC(F)(F)C(F)F)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000189834212 552480811 /nfs/dbraw/zinc/48/08/11/552480811.db2.gz IRKZZQBWFCHMFI-LLVKDONJSA-N 1 0 386.411 2.505 20 0 GFADRO Cc1ccc(Br)nc1C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000189835726 552480832 /nfs/dbraw/zinc/48/08/32/552480832.db2.gz DHRUSDHTTURLES-UHFFFAOYSA-N 1 0 389.297 2.942 20 0 GFADRO COCCN(C)S(=O)(=O)[C@@H]1CCCN([C@@H]2CCc3c2cccc3Cl)C1 ZINC000190375173 552494320 /nfs/dbraw/zinc/49/43/20/552494320.db2.gz OERILTQDFVDIQB-RDTXWAMCSA-N 1 0 386.945 2.700 20 0 GFADRO Cc1cc(NC(=O)C(=O)NC[C@H](C)[N@H+](C)C2CC2)cc(C)c1Br ZINC000190497467 552498840 /nfs/dbraw/zinc/49/88/40/552498840.db2.gz UNUJNWXMIOPYFN-LBPRGKRZSA-N 1 0 382.302 2.603 20 0 GFADRO O=C(NCC1CC[NH+](CCO)CC1)Nc1cc(F)cc(F)c1Br ZINC000190634603 552504511 /nfs/dbraw/zinc/50/45/11/552504511.db2.gz CLWATIGXKHDIFY-UHFFFAOYSA-N 1 0 392.244 2.553 20 0 GFADRO Cc1cc(NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc(C)c1Br ZINC000190836539 552510630 /nfs/dbraw/zinc/51/06/30/552510630.db2.gz HDJUNTPKOLXVSI-UKRRQHHQSA-N 1 0 396.329 2.946 20 0 GFADRO Cc1csc(C(=O)NCCCC[N@@H+]2CCC[C@H]2CO)c1Br ZINC000190991298 552515706 /nfs/dbraw/zinc/51/57/06/552515706.db2.gz ISEOTXNITUZHIL-LBPRGKRZSA-N 1 0 375.332 2.786 20 0 GFADRO CN(C)C(=O)[C@H]1CC[C@H](C[NH2+]Cc2cc(Br)c(Cl)s2)O1 ZINC000191554207 552531387 /nfs/dbraw/zinc/53/13/87/552531387.db2.gz ZPZJQPGUBRFJOW-LDYMZIIASA-N 1 0 381.723 2.889 20 0 GFADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)Nc1cccc(Cl)c1Br ZINC000191718993 552535852 /nfs/dbraw/zinc/53/58/52/552535852.db2.gz GGHPJZRWMQKFQC-LLVKDONJSA-N 1 0 389.725 2.860 20 0 GFADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)Nc1cccc(Cl)c1Br ZINC000191718975 552535970 /nfs/dbraw/zinc/53/59/70/552535970.db2.gz GGHPJZRWMQKFQC-NSHDSACASA-N 1 0 389.725 2.860 20 0 GFADRO C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)NCC1CC1 ZINC000191786095 552537826 /nfs/dbraw/zinc/53/78/26/552537826.db2.gz RWQONNTWIQOECY-UHFFFAOYSA-N 1 0 386.323 2.800 20 0 GFADRO Cc1csc(C(=O)N(C)[C@@H]2CCC[N@H+](C)C2)c1I ZINC000191824279 552539386 /nfs/dbraw/zinc/53/93/86/552539386.db2.gz WZGDTEAFCYKMRV-SNVBAGLBSA-N 1 0 378.279 2.827 20 0 GFADRO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1cc(Cl)c(Cl)cc1OC ZINC000192033241 552546833 /nfs/dbraw/zinc/54/68/33/552546833.db2.gz PMKBUBDUFZRTMZ-SNVBAGLBSA-N 1 0 376.284 2.787 20 0 GFADRO C[C@H]([NH3+])[C@H](C)C(=O)NCCSCCOc1cccc(Br)c1 ZINC000192048397 552547758 /nfs/dbraw/zinc/54/77/58/552547758.db2.gz RMKGWJGTDUWMHD-RYUDHWBXSA-N 1 0 375.332 2.661 20 0 GFADRO O=S(=O)(c1ccc(Cl)c(Br)c1)N1CC[C@H](N2CC=CC2)C1 ZINC000192215728 552556170 /nfs/dbraw/zinc/55/61/70/552556170.db2.gz RVJGELSCVLLHBA-NSHDSACASA-N 1 0 391.718 2.737 20 0 GFADRO CC(C)[C@](C)([NH2+]CCCN1C(=O)CNC1=O)c1ccc(Br)cc1 ZINC000192373461 552561141 /nfs/dbraw/zinc/56/11/41/552561141.db2.gz XGTREFAWLVDKGR-KRWDZBQOSA-N 1 0 382.302 2.852 20 0 GFADRO O=S(=O)(NCC[C@H]1CCC[NH2+]C1)c1ccc(Cl)c(Br)c1 ZINC000192389611 552561187 /nfs/dbraw/zinc/56/11/87/552561187.db2.gz FZVUHAXKPDGLIN-SNVBAGLBSA-N 1 0 381.723 2.771 20 0 GFADRO CC(C)[C@@](C)([NH2+]CC(=O)N[C@@H](C)C(=O)N(C)C)c1ccc(Br)cc1 ZINC000192373051 552561240 /nfs/dbraw/zinc/56/12/40/552561240.db2.gz ILCMREGZAPATFY-SCLBCKFNSA-N 1 0 398.345 2.503 20 0 GFADRO COC(=O)C1CCC([NH2+]CCNC(=O)c2ccc(Br)cc2)CC1 ZINC000192439837 552564084 /nfs/dbraw/zinc/56/40/84/552564084.db2.gz FMGYKGDTRNJOGB-UHFFFAOYSA-N 1 0 383.286 2.500 20 0 GFADRO Cc1cc(I)cc(C(=O)N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)c1C ZINC000192538641 552566328 /nfs/dbraw/zinc/56/63/28/552566328.db2.gz QRQSPAKWEKFRJP-BETUJISGSA-N 1 0 384.261 2.542 20 0 GFADRO C[C@H](NC(=O)N1CCO[C@@H](C[NH+](C)C)C1)c1ccc(Br)s1 ZINC000444115791 563822096 /nfs/dbraw/zinc/82/20/96/563822096.db2.gz UNPWNWOQDNVWNK-QWRGUYRKSA-N 1 0 376.320 2.544 20 0 GFADRO C[C@@H](c1ccc(Br)cc1)N1CCN(Cc2nc(N(C)C)no2)CC1 ZINC000192729327 552972322 /nfs/dbraw/zinc/97/23/22/552972322.db2.gz YUOTYSPNKGOQNK-ZDUSSCGKSA-N 1 0 394.317 2.777 20 0 GFADRO CN(C(=O)C1CC[NH+](C2CC2)CC1)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000192769425 552973541 /nfs/dbraw/zinc/97/35/41/552973541.db2.gz KQLGOSIUHRCGBM-MRXNPFEDSA-N 1 0 382.913 2.501 20 0 GFADRO CC[N@@H+]1CCCC[C@H]1CNS(=O)(=O)c1cc(OC)c(OC)cc1Cl ZINC000192818815 552974367 /nfs/dbraw/zinc/97/43/67/552974367.db2.gz RCJIIVBGOVYZTE-LBPRGKRZSA-N 1 0 376.906 2.510 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2cc(OC)c(OC)cc2Cl)[C@H](C)C1 ZINC000192820311 552974676 /nfs/dbraw/zinc/97/46/76/552974676.db2.gz UENWEAAKCSURBV-TZMCWYRMSA-N 1 0 390.933 2.708 20 0 GFADRO CCCCN(C(=O)C[NH2+][C@@H](C)c1cc(C)sc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000193132017 552984071 /nfs/dbraw/zinc/98/40/71/552984071.db2.gz YASSICNLRWBXHV-GOEBONIOSA-N 1 0 386.583 2.831 20 0 GFADRO C[C@H]([NH3+])CCC(=O)NCCSCCOc1cccc(Br)c1 ZINC000193248080 552987303 /nfs/dbraw/zinc/98/73/03/552987303.db2.gz MUZYCHQTLHFLCT-LBPRGKRZSA-N 1 0 375.332 2.805 20 0 GFADRO O=S(=O)(NCC[C@@H]1CCC[NH2+]C1)c1cc(Cl)c(Br)cc1F ZINC000193271901 552988548 /nfs/dbraw/zinc/98/85/48/552988548.db2.gz PHLBOKZJOYQTRY-VIFPVBQESA-N 1 0 399.713 2.910 20 0 GFADRO C[C@@H](C[NH3+])N(C)S(=O)(=O)c1ccc(Br)c(Cl)c1Cl ZINC000193281859 552988983 /nfs/dbraw/zinc/98/89/83/552988983.db2.gz PAGKEOHVXUCPAQ-LURJTMIESA-N 1 0 376.103 2.724 20 0 GFADRO Cc1c(Br)ccc(NC(=O)C(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)c1F ZINC000193410451 552992281 /nfs/dbraw/zinc/99/22/81/552992281.db2.gz SMFPIWBOWDQJNJ-CMPLNLGQSA-N 1 0 398.276 2.530 20 0 GFADRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)c1cc(Cl)ccc1I ZINC000193651538 552999072 /nfs/dbraw/zinc/99/90/72/552999072.db2.gz HRAATDDRSBZVNI-UFBFGSQYSA-N 1 0 378.641 2.815 20 0 GFADRO C[C@@H](c1ccsc1)N1CCN(C(=O)C(=O)Nc2ccc(Cl)cn2)CC1 ZINC000193832398 553004221 /nfs/dbraw/zinc/00/42/21/553004221.db2.gz WQZONDUFNJVRLA-LBPRGKRZSA-N 1 0 378.885 2.640 20 0 GFADRO COCc1nc2n(n1)C[C@H]([NH2+][C@@H]1CCc3ccc(Br)cc31)CC2 ZINC000193994526 553009213 /nfs/dbraw/zinc/00/92/13/553009213.db2.gz UFRICNQLASMKJP-UKRRQHHQSA-N 1 0 377.286 2.779 20 0 GFADRO O=C(NC1CC[NH+](CC2CC2)CC1)c1ccc(I)cc1 ZINC000194224920 553015513 /nfs/dbraw/zinc/01/55/13/553015513.db2.gz SBVVHSMMPNFQFC-UHFFFAOYSA-N 1 0 384.261 2.895 20 0 GFADRO CC(C)[NH+]1CCC(NC(=O)NCC(=O)Nc2ccc(Br)cc2)CC1 ZINC000194263077 553016020 /nfs/dbraw/zinc/01/60/20/553016020.db2.gz HMXHULTVMLCWBI-UHFFFAOYSA-N 1 0 397.317 2.560 20 0 GFADRO CCOc1ccc(S(=O)(=O)N[C@H](C[NH3+])C2CCCC2)cc1Br ZINC000194770799 553029257 /nfs/dbraw/zinc/02/92/57/553029257.db2.gz JZQKLSWNMLLDST-CQSZACIVSA-N 1 0 391.331 2.644 20 0 GFADRO COCC[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2c2cccc(Br)c2)CC1 ZINC000194892415 553032502 /nfs/dbraw/zinc/03/25/02/553032502.db2.gz WEVLIAMCVRVJIO-DLBZAZTESA-N 1 0 381.314 2.780 20 0 GFADRO COc1cccc2c1CCC[C@@H]2[NH2+]C[C@@H](O)CS(=O)(=O)c1cccs1 ZINC000194936442 553034024 /nfs/dbraw/zinc/03/40/24/553034024.db2.gz FJRBPIMXGUTFGF-CJNGLKHVSA-N 1 0 381.519 2.559 20 0 GFADRO CN(CC1([NH+](C)C)CCC1)C(=O)c1ccc(I)c(O)c1 ZINC000220949084 553054922 /nfs/dbraw/zinc/05/49/22/553054922.db2.gz DACSQPWNWTVKGK-UHFFFAOYSA-N 1 0 388.249 2.553 20 0 GFADRO C[NH2+]C[C@@H]1CCCN1C(=O)c1cc(Cl)ccc1I ZINC000226286908 553061455 /nfs/dbraw/zinc/06/14/55/553061455.db2.gz LTCSQHNYNKKINH-JTQLQIEISA-N 1 0 378.641 2.769 20 0 GFADRO C[C@@H]1CN(C(=O)c2ccc(I)c(Cl)c2)[C@@H](C)C[NH2+]1 ZINC000227356307 553062594 /nfs/dbraw/zinc/06/25/94/553062594.db2.gz CHWXVYKEYDLVAH-BDAKNGLRSA-N 1 0 378.641 2.767 20 0 GFADRO C[C@@H]1CN(C)CCN1C(=O)c1cc(Br)ccc1Br ZINC000228921113 553063744 /nfs/dbraw/zinc/06/37/44/553063744.db2.gz BTBWELGIFBMDRZ-SECBINFHSA-N 1 0 376.092 2.988 20 0 GFADRO CC[C@H]1C[N@H+](C)CCCN1S(=O)(=O)c1cc(Br)ccc1C ZINC000234108401 553067029 /nfs/dbraw/zinc/06/70/29/553067029.db2.gz FEZVZUDDIQGDQZ-AWEZNQCLSA-N 1 0 375.332 2.862 20 0 GFADRO CC[C@H]1C[N@H+](C)CCCN1S(=O)(=O)c1ccc(F)cc1Br ZINC000234111313 553067042 /nfs/dbraw/zinc/06/70/42/553067042.db2.gz FKJADWYGLALHQO-LBPRGKRZSA-N 1 0 379.295 2.693 20 0 GFADRO C[C@H]1C[C@H](NC(=O)c2ccc(I)c(Cl)c2)CC[NH2+]1 ZINC000235727085 553068402 /nfs/dbraw/zinc/06/84/02/553068402.db2.gz YTCFAUNXDZQGTJ-WCBMZHEXSA-N 1 0 378.641 2.815 20 0 GFADRO [NH3+]CC[C@H]1CCCCN1C(=O)c1ccc(F)cc1I ZINC000236251087 553068496 /nfs/dbraw/zinc/06/84/96/553068496.db2.gz IYXXKKXXEBFRCS-LLVKDONJSA-N 1 0 376.213 2.774 20 0 GFADRO O=S(=O)(c1ccc(Cl)c(Br)c1)N1CCN(CC2CC2)CC1 ZINC000236071588 553068743 /nfs/dbraw/zinc/06/87/43/553068743.db2.gz ISLFOJYCUKTISE-UHFFFAOYSA-N 1 0 393.734 2.819 20 0 GFADRO Brc1cccc(OCC[NH2+]Cc2cnc(N3CCOCC3)s2)c1 ZINC000236573673 553069130 /nfs/dbraw/zinc/06/91/30/553069130.db2.gz DNDNLZCLIGFMBE-UHFFFAOYSA-N 1 0 398.326 2.911 20 0 GFADRO CC(C)C[C@@H]([NH3+])C(=O)N1CCC(C(=O)Nc2ccccc2Br)CC1 ZINC000236693905 553070305 /nfs/dbraw/zinc/07/03/05/553070305.db2.gz BIAJQAKYDAMNMZ-OAHLLOKOSA-N 1 0 396.329 3.000 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)N[C@@H](C[NH3+])CC(C)C ZINC000236829674 553071766 /nfs/dbraw/zinc/07/17/66/553071766.db2.gz AKXABBUFQXHSFS-HUUCEWRRSA-N 1 0 386.583 2.841 20 0 GFADRO CCCN(C1CC[NH2+]CC1)S(=O)(=O)Cc1ccc(Br)cc1 ZINC000236869193 553072317 /nfs/dbraw/zinc/07/23/17/553072317.db2.gz WUAFBUJSIFVHHZ-UHFFFAOYSA-N 1 0 375.332 2.743 20 0 GFADRO CCOc1ccc(S(=O)(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)cc1Br ZINC000236862001 553072493 /nfs/dbraw/zinc/07/24/93/553072493.db2.gz BUHGDQSLQJFKQG-VXGBXAGGSA-N 1 0 391.331 2.596 20 0 GFADRO C[NH2+]CC1CCN(C(=O)c2[nH]nc(-c3ccccc3)c2Br)CC1 ZINC000237074664 553074410 /nfs/dbraw/zinc/07/44/10/553074410.db2.gz GCLHMZPZAORJQB-UHFFFAOYSA-N 1 0 377.286 2.911 20 0 GFADRO C[C@@H](NC(=O)[C@@H]1CC12CC[NH2+]CC2)c1cc2c(cc1Br)OCCO2 ZINC000237338938 553077074 /nfs/dbraw/zinc/07/70/74/553077074.db2.gz YCODNGKCEJUWNW-YPMHNXCESA-N 1 0 395.297 2.787 20 0 GFADRO CS(=O)(=O)Nc1ccc(C(F)(F)F)cc1NC(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000237400314 553077694 /nfs/dbraw/zinc/07/76/94/553077694.db2.gz WSBSPDISQNMRRQ-GXSJLCMTSA-N 1 0 379.404 2.533 20 0 GFADRO C[C@@]1(C(=O)NC2CCN(Cc3ccc(Br)cc3)CC2)CC[NH2+]C1 ZINC000237571354 553079224 /nfs/dbraw/zinc/07/92/24/553079224.db2.gz QHLURMKTACWNGV-GOSISDBHSA-N 1 0 380.330 2.529 20 0 GFADRO Cc1cc(C(=O)NC2CCC([NH3+])CC2)nn1-c1ccc(Br)cc1 ZINC000237715758 553081007 /nfs/dbraw/zinc/08/10/07/553081007.db2.gz MZGKOYDJFBXKTI-UHFFFAOYSA-N 1 0 377.286 2.943 20 0 GFADRO Cc1c(C(=O)N2CCCC[C@H]2C[NH3+])cnn1-c1cccc(Br)c1 ZINC000237742325 553081176 /nfs/dbraw/zinc/08/11/76/553081176.db2.gz ZFYPQCHHYLMCGA-HNNXBMFYSA-N 1 0 377.286 2.897 20 0 GFADRO O=C(NCC[C@@H]1CCC[NH2+]C1)[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000237730942 553081185 /nfs/dbraw/zinc/08/11/85/553081185.db2.gz IBBUEFSWYYWSQU-JSGCOSHPSA-N 1 0 384.307 2.852 20 0 GFADRO C[C@]1(C(=O)N2CCC(C(=O)Nc3ccc(Br)cc3)CC2)CC[NH2+]C1 ZINC000237787329 553081872 /nfs/dbraw/zinc/08/18/72/553081872.db2.gz CTGATZCPVRQGMJ-SFHVURJKSA-N 1 0 394.313 2.626 20 0 GFADRO Cc1cc(NC(=O)CNC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)ccc1Br ZINC000237804861 553082269 /nfs/dbraw/zinc/08/22/69/553082269.db2.gz VCGFIDUGPNHBGD-KCXAZCMYSA-N 1 0 394.313 2.733 20 0 GFADRO [NH3+]C[C@H]1CCC[C@H]1NC(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1 ZINC000237808065 553082344 /nfs/dbraw/zinc/08/23/44/553082344.db2.gz TVIVACITVLBNRX-CZUORRHYSA-N 1 0 384.929 2.670 20 0 GFADRO Cc1c(C(=O)NC[C@H]2CCC[NH2+]C2)cnn1-c1cccc(Br)c1 ZINC000237810467 553082393 /nfs/dbraw/zinc/08/23/93/553082393.db2.gz UYKFLPJSYVVXSF-ZDUSSCGKSA-N 1 0 377.286 2.673 20 0 GFADRO Cc1c(C(=O)N[C@@](C)(C[NH3+])C2CC2)cnn1-c1ccc(Br)cc1 ZINC000237835979 553082727 /nfs/dbraw/zinc/08/27/27/553082727.db2.gz HXCCKWSWNVCLLI-KRWDZBQOSA-N 1 0 377.286 2.800 20 0 GFADRO [NH3+][C@@H]1CCCCCC[C@H]1C(=O)NCCNC(=O)c1ccc(Br)cc1 ZINC000237892051 553083453 /nfs/dbraw/zinc/08/34/53/553083453.db2.gz DKSKDJIICGYOTB-HZPDHXFCSA-N 1 0 396.329 2.593 20 0 GFADRO Cn1cnnc1Sc1ccc(NC(=O)C[C@H]2CSCC[NH2+]2)cc1Cl ZINC000237949752 553083972 /nfs/dbraw/zinc/08/39/72/553083972.db2.gz OUCIEFUSTMLDLE-NSHDSACASA-N 1 0 383.930 2.653 20 0 GFADRO [NH3+]C1(C(=O)NCC2(c3ccc(Br)cc3)CCOCC2)CCCC1 ZINC000237910514 553084080 /nfs/dbraw/zinc/08/40/80/553084080.db2.gz WXHUDSAVUXAFDS-UHFFFAOYSA-N 1 0 381.314 2.885 20 0 GFADRO O=C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(S(=O)(=O)c2ccccc2)s1 ZINC000237969134 553084886 /nfs/dbraw/zinc/08/48/86/553084886.db2.gz JTZYMIFKPLNFAJ-PBWFPOADSA-N 1 0 376.503 2.594 20 0 GFADRO [NH3+][C@H]1CCC[C@H](C(=O)N2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)C1 ZINC000238034881 553085328 /nfs/dbraw/zinc/08/53/28/553085328.db2.gz BTPMZQBCJLEBLC-JSGCOSHPSA-N 1 0 384.307 2.795 20 0 GFADRO O[C@H](C[NH2+]C1CCSCC1)COc1ccc(I)cc1 ZINC000238121317 553086173 /nfs/dbraw/zinc/08/61/73/553086173.db2.gz SKPYLIHPQMSAEO-CYBMUJFWSA-N 1 0 393.290 2.516 20 0 GFADRO COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000245422976 553090131 /nfs/dbraw/zinc/09/01/31/553090131.db2.gz JCIIYSRWKMLRKJ-BONVTDFDSA-N 1 0 380.794 2.983 20 0 GFADRO C[N@@H+]1CC[C@H](CNC(=O)C2(O)CCSCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245667920 553095179 /nfs/dbraw/zinc/09/51/79/553095179.db2.gz BVBCLCLXQJSTAK-CZUORRHYSA-N 1 0 386.920 2.846 20 0 GFADRO C[N@@H+]1CCCC[C@@H]1CN1CCN(C[C@@H](O)c2cccc(Br)c2)CC1 ZINC000245809649 553097591 /nfs/dbraw/zinc/09/75/91/553097591.db2.gz OCYZNGVDMJYMOH-RTBURBONSA-N 1 0 396.373 2.584 20 0 GFADRO NC(=O)[C@H](c1cccc(Br)c1)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000245801140 553097754 /nfs/dbraw/zinc/09/77/54/553097754.db2.gz PIEFEKCTAJUFGP-WBAXXEDZSA-N 1 0 392.341 2.924 20 0 GFADRO O=C(NC[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1)c1ccc(Br)cc1 ZINC000245851901 553098482 /nfs/dbraw/zinc/09/84/82/553098482.db2.gz JLQUBSXSLKEPOH-ROUUACIJSA-N 1 0 389.293 2.814 20 0 GFADRO C[N@H+](C[C@H](O)COc1ccccc1F)[C@H](CO)c1cccc(Br)c1 ZINC000245971963 553100373 /nfs/dbraw/zinc/10/03/73/553100373.db2.gz WNCYJLSKVKGALL-DOTOQJQBSA-N 1 0 398.272 2.993 20 0 GFADRO CC1(C)COCCN1CCNC(=O)[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000246006627 553100831 /nfs/dbraw/zinc/10/08/31/553100831.db2.gz HVZOYUREXZJDQQ-JKSUJKDBSA-N 1 0 381.314 2.780 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2ccccc2OC(F)(F)F)[C@@H](C)C1 ZINC000246159408 553103471 /nfs/dbraw/zinc/10/34/71/553103471.db2.gz LQROXMDOHVLUGR-STQMWFEESA-N 1 0 380.432 2.936 20 0 GFADRO CCC[N@H+](C)C[C@H]1CCN(C[C@@H](O)COc2ccc(Br)cc2)C1 ZINC000246234731 553104455 /nfs/dbraw/zinc/10/44/55/553104455.db2.gz QSIYXVSDEJQCRO-NVXWUHKLSA-N 1 0 385.346 2.853 20 0 GFADRO Cc1ccc(S(=O)(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)c(Br)c1 ZINC000246479594 553108628 /nfs/dbraw/zinc/10/86/28/553108628.db2.gz WSDLBWPDRNJWRE-TZMCWYRMSA-N 1 0 375.332 2.718 20 0 GFADRO O[C@H](C[N@@H+]1CCC[C@@H](CN2CCOCC2)C1)c1ccccc1Br ZINC000246602419 553110365 /nfs/dbraw/zinc/11/03/65/553110365.db2.gz HIUOUZRKKOKTJH-MAUKXSAKSA-N 1 0 383.330 2.527 20 0 GFADRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N[C@H](CO)c2cccc(Br)c2)C1 ZINC000246798837 553113359 /nfs/dbraw/zinc/11/33/59/553113359.db2.gz IZLSCXDCVPTNPH-WMLDXEAASA-N 1 0 398.345 2.902 20 0 GFADRO CS[C@H](CO)[C@@H](C)NC(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000246846715 553114566 /nfs/dbraw/zinc/11/45/66/553114566.db2.gz HVQHYSDQNYORKE-KBRIMQKVSA-N 1 0 385.961 2.889 20 0 GFADRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2nc(SC)ncc2Cl)[C@@H](C)C1 ZINC000246901789 553114984 /nfs/dbraw/zinc/11/49/84/553114984.db2.gz VIJQVASDELDJIZ-GXTWGEPZSA-N 1 0 386.949 2.719 20 0 GFADRO COC(=O)C[C@H]1CSCC[N@@H+]1C[C@@H](O)Cc1ccccc1C(F)(F)F ZINC000246895837 553115160 /nfs/dbraw/zinc/11/51/60/553115160.db2.gz XLWBBHFMKCJLMI-KBPBESRZSA-N 1 0 377.428 2.589 20 0 GFADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2nc(SC)ncc2Cl)[C@@H](C)C1 ZINC000246903829 553115244 /nfs/dbraw/zinc/11/52/44/553115244.db2.gz VIJQVASDELDJIZ-JSGCOSHPSA-N 1 0 386.949 2.719 20 0 GFADRO O=C(CN1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)Nc1ccc(Br)cn1 ZINC000246948791 553115689 /nfs/dbraw/zinc/11/56/89/553115689.db2.gz UMPADCMYBYSOOE-BBRMVZONSA-N 1 0 393.329 2.731 20 0 GFADRO C[C@@H](C(=O)N1CCc2sccc2C1)N(C)Cc1ccc([S@@](C)=O)cc1 ZINC000246917457 553115767 /nfs/dbraw/zinc/11/57/67/553115767.db2.gz GKAXRCWKCMAGSD-HWRSSNJWSA-N 1 0 376.547 2.891 20 0 GFADRO Cc1cc(=O)n2nc(C[N@@H+]3CCC[C@H]3C[C@@H](O)c3cccs3)sc2n1 ZINC000246989158 553116345 /nfs/dbraw/zinc/11/63/45/553116345.db2.gz KCCZYHDYGDSDKV-QWHCGFSZSA-N 1 0 376.507 2.609 20 0 GFADRO O=C1C[C@H]([N@@H+]2CC[C@@H]3OCCC[C@@H]3C2)C(=O)N1c1ccc(Br)cc1 ZINC000246980662 553116683 /nfs/dbraw/zinc/11/66/83/553116683.db2.gz OISZCDFRAVVTBJ-KCXAZCMYSA-N 1 0 393.281 2.582 20 0 GFADRO C[C@@H](C(=O)NC[C@@H](O)COc1ccccc1Br)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000247045411 553118141 /nfs/dbraw/zinc/11/81/41/553118141.db2.gz TUIWFMTXTGEAAK-LJISPDSOSA-N 1 0 399.329 2.566 20 0 GFADRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2S(=O)(=O)c2ccccc2OC(F)(F)F)C1 ZINC000247551112 553124044 /nfs/dbraw/zinc/12/40/44/553124044.db2.gz QXUZHEGEDHJWDG-STQMWFEESA-N 1 0 378.416 2.690 20 0 GFADRO CN(CCOc1ccc(Br)cc1)C(=O)C[N@@H+]1CCCC[C@H]1CCO ZINC000247970861 553127130 /nfs/dbraw/zinc/12/71/30/553127130.db2.gz HMIDVZYMRNKFLX-INIZCTEOSA-N 1 0 399.329 2.523 20 0 GFADRO Cc1cc(S(=O)(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)ccc1Br ZINC000248039147 553127164 /nfs/dbraw/zinc/12/71/64/553127164.db2.gz SFXKDSPQFLDLGZ-XJKSGUPXSA-N 1 0 387.343 2.862 20 0 GFADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3n[nH]c4ccc(Br)cc43)CC[C@H]21 ZINC000248164728 553127668 /nfs/dbraw/zinc/12/76/68/553127668.db2.gz SSXLRIWKFGFSKQ-IAQYHMDHSA-N 1 0 377.286 2.882 20 0 GFADRO Cc1c(Br)ccc(NC(=O)C(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2C)c1F ZINC000248685076 553133123 /nfs/dbraw/zinc/13/31/23/553133123.db2.gz SMFPIWBOWDQJNJ-PWSUYJOCSA-N 1 0 398.276 2.530 20 0 GFADRO C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@@H]2CCc3c2cccc3Br)C[C@@H]1C ZINC000248699389 553133264 /nfs/dbraw/zinc/13/32/64/553133264.db2.gz ZKEXBQKHRRMGHC-GDZNZVCISA-N 1 0 396.329 2.533 20 0 GFADRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)[C@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 ZINC000248835812 553135596 /nfs/dbraw/zinc/13/55/96/553135596.db2.gz CXMWTNVFAYFDHE-KNXALSJPSA-N 1 0 384.307 2.855 20 0 GFADRO Cc1cc(F)c(Br)cc1NC(=O)N1CC[N@@H+](C[C@H](C)O)[C@H](C)C1 ZINC000248976484 553137934 /nfs/dbraw/zinc/13/79/34/553137934.db2.gz DOJFBCARFMOTEU-NEPJUHHUSA-N 1 0 388.281 2.815 20 0 GFADRO C[C@H](CC(=O)N1CC[N@@H+](C[C@H](C)O)C[C@H]1C)c1ccc(Br)cc1 ZINC000249103133 553138952 /nfs/dbraw/zinc/13/89/52/553138952.db2.gz ONDJSSPBQFRDQQ-KFWWJZLASA-N 1 0 383.330 2.856 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1Br ZINC000249112689 553139836 /nfs/dbraw/zinc/13/98/36/553139836.db2.gz AVRONSPSVHPBGL-UONOGXRCSA-N 1 0 396.329 2.946 20 0 GFADRO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)Nc1cc(Br)ccc1F ZINC000249150574 553140134 /nfs/dbraw/zinc/14/01/34/553140134.db2.gz HERVVVSUPGEYJP-OLZOCXBDSA-N 1 0 398.276 2.612 20 0 GFADRO CSc1ccc(NC(=O)C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)cc1Cl ZINC000249163949 553140201 /nfs/dbraw/zinc/14/02/01/553140201.db2.gz JVGBBIYHRZBRND-WFASDCNBSA-N 1 0 381.929 2.943 20 0 GFADRO COC[C@@H]1CN(Cc2cnn(-c3ccc(Br)cc3)c2)C[C@@H](C)O1 ZINC000249188247 553140289 /nfs/dbraw/zinc/14/02/89/553140289.db2.gz OPERFHYSRVJEJN-DYVFJYSZSA-N 1 0 380.286 2.871 20 0 GFADRO Cc1cc(NC(=O)[C@H](C)[NH2+][C@H]2CCCC[C@H]2C(N)=O)ccc1Br ZINC000249270321 553141637 /nfs/dbraw/zinc/14/16/37/553141637.db2.gz KANQIXJLLARBQS-LNSITVRQSA-N 1 0 382.302 2.718 20 0 GFADRO C[C@H](O)C[N@@H+]1CCN(Cc2ncc(-c3cccc(Br)c3)o2)[C@@H](C)C1 ZINC000249283799 553141686 /nfs/dbraw/zinc/14/16/86/553141686.db2.gz NPDQXHUQCKAQPJ-KBPBESRZSA-N 1 0 394.313 2.991 20 0 GFADRO C[C@H](c1ccc(Br)cc1)N1CC[NH+](CCN2CCOC[C@H]2C)CC1 ZINC000249396511 553142858 /nfs/dbraw/zinc/14/28/58/553142858.db2.gz BYLQYDCSAKMWTN-IAGOWNOFSA-N 1 0 396.373 2.848 20 0 GFADRO CC[N@H+](C[C@@H](O)COc1ccc(Cl)cc1Cl)C[C@@H](O)C(F)(F)F ZINC000249459682 553143416 /nfs/dbraw/zinc/14/34/16/553143416.db2.gz OOXWFUYUIPYISA-ZWNOBZJWSA-N 1 0 376.202 2.978 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)C(=O)NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000249610324 553145174 /nfs/dbraw/zinc/14/51/74/553145174.db2.gz GMSUZUPSZMOKHT-OCCSQVGLSA-N 1 0 396.329 2.933 20 0 GFADRO C[C@H](C[NH3+])C(=O)Nc1ccc(Br)c(I)c1 ZINC000261536332 553153562 /nfs/dbraw/zinc/15/35/62/553153562.db2.gz RHCRTEQDUSLCKD-ZCFIWIBFSA-N 1 0 383.027 2.587 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CCCCN1S(=O)(=O)c1c(Cl)cccc1Br ZINC000261632900 553154562 /nfs/dbraw/zinc/15/45/62/553154562.db2.gz BLEBQTIBFSFKQX-BXKDBHETSA-N 1 0 381.723 2.993 20 0 GFADRO O=S(=O)(NC[C@H]1[NH2+]CCc2ccccc21)c1ccc(Br)s1 ZINC000261655378 553155387 /nfs/dbraw/zinc/15/53/87/553155387.db2.gz KCXAWQFWWZCZBX-GFCCVEGCSA-N 1 0 387.324 2.676 20 0 GFADRO C[C@]([NH3+])(C(=O)N1CCC(c2c[nH]cn2)CC1)c1ccc(Br)cc1 ZINC000261681560 553156021 /nfs/dbraw/zinc/15/60/21/553156021.db2.gz GWZBVHAVMJVVBV-QGZVFWFLSA-N 1 0 377.286 2.752 20 0 GFADRO [NH3+]C[C@H]1CCC[C@H]1C(=O)NCC1(c2ccc(Br)cc2)CCOCC1 ZINC000261702133 553156888 /nfs/dbraw/zinc/15/68/88/553156888.db2.gz ILJNSEDPMUQAKY-RHSMWYFYSA-N 1 0 395.341 2.989 20 0 GFADRO Cc1ccc([C@@H](O)CNC(=O)[C@@](C)([NH3+])c2ccc(Br)cc2)cc1 ZINC000261726896 553157324 /nfs/dbraw/zinc/15/73/24/553157324.db2.gz KPZLLCBILMESKG-WMZOPIPTSA-N 1 0 377.282 2.781 20 0 GFADRO CN(C(=O)CNC(=O)[C@](C)([NH3+])c1ccc(Br)cc1)C1CCCCC1 ZINC000261773237 553158761 /nfs/dbraw/zinc/15/87/61/553158761.db2.gz OMMUJUJRDYSHQW-GOSISDBHSA-N 1 0 396.329 2.530 20 0 GFADRO C[C@H]1CCCN(S(=O)(=O)c2c(Cl)cccc2Br)[C@@H]1C[NH3+] ZINC000261776293 553159224 /nfs/dbraw/zinc/15/92/24/553159224.db2.gz PEAJREYGJCTROB-JOYOIKCWSA-N 1 0 381.723 2.850 20 0 GFADRO C[NH2+][C@@H](C)Cc1noc([C@H](c2ccc(Cl)cc2Cl)N2CCOCC2)n1 ZINC000261804182 553159824 /nfs/dbraw/zinc/15/98/24/553159824.db2.gz PITNIRVWZRANCY-ZBEGNZNMSA-N 1 0 385.295 2.948 20 0 GFADRO C[NH2+]C[C@H]1CCCN(S(=O)(=O)c2c(Cl)cccc2Br)C1 ZINC000261823059 553160310 /nfs/dbraw/zinc/16/03/10/553160310.db2.gz UEBHNTRKWUIBPY-SNVBAGLBSA-N 1 0 381.723 2.723 20 0 GFADRO Cc1noc(C)c1C[C@H](C)NC(=O)[C@@](C)([NH3+])c1ccc(Br)cc1 ZINC000261837353 553160415 /nfs/dbraw/zinc/16/04/15/553160415.db2.gz UQLFBHLPIYHCDI-BTDLBPIBSA-N 1 0 380.286 2.975 20 0 GFADRO C[C@]([NH3+])(C(=O)N[C@H]1CCCc2[nH]c(=O)ccc21)c1ccc(Br)cc1 ZINC000261837298 553160462 /nfs/dbraw/zinc/16/04/62/553160462.db2.gz UPNKRXYGUJMETR-MAUKXSAKSA-N 1 0 390.281 2.917 20 0 GFADRO C[C@@]([NH3+])(C(=O)N1CCO[C@@H](c2nccs2)C1)c1ccc(Br)cc1 ZINC000261846713 553161327 /nfs/dbraw/zinc/16/13/27/553161327.db2.gz VKFYDHMCTQSEOO-CJNGLKHVSA-N 1 0 396.310 2.680 20 0 GFADRO CC1(C)CN(C(=O)[C@@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)CC[C@@H]1[NH3+] ZINC000261939360 553162852 /nfs/dbraw/zinc/16/28/52/553162852.db2.gz XDKDRJVLNAQYFO-WFASDCNBSA-N 1 0 384.307 2.932 20 0 GFADRO O=C(N[C@@H]1COc2c1ccc(Cl)c2Cl)C1(n2cccn2)CC[NH2+]CC1 ZINC000261929325 553162893 /nfs/dbraw/zinc/16/28/93/553162893.db2.gz LKRVZYVBZOIBFC-CYBMUJFWSA-N 1 0 381.263 2.519 20 0 GFADRO C[C@@H](NC(=O)C1(n2cccn2)CC[NH2+]CC1)c1ccc(Br)cc1 ZINC000261924748 553163095 /nfs/dbraw/zinc/16/30/95/553163095.db2.gz KWYAMCWVOFTVGD-CYBMUJFWSA-N 1 0 377.286 2.602 20 0 GFADRO CC1(C)CN(C(=O)C2CCN(C(=O)c3ccc(Cl)s3)CC2)CC[C@H]1[NH3+] ZINC000261974304 553163958 /nfs/dbraw/zinc/16/39/58/553163958.db2.gz LSNVXPSGAMIIRE-CQSZACIVSA-N 1 0 383.945 2.840 20 0 GFADRO C[C@]([NH3+])(C(=O)NCc1ccc2c(c1)OCCO2)c1ccc(Br)cc1 ZINC000261989583 553164261 /nfs/dbraw/zinc/16/42/61/553164261.db2.gz QYUWVARMMBVBQT-GOSISDBHSA-N 1 0 391.265 2.711 20 0 GFADRO CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)C1(C[NH3+])CCOCC1 ZINC000262047278 553164499 /nfs/dbraw/zinc/16/44/99/553164499.db2.gz ZGRWHMVUYWXDMD-UHFFFAOYSA-N 1 0 388.295 2.536 20 0 GFADRO Cc1c(C(=O)N2C[C@H](C[NH3+])C[C@H]2C)cnn1-c1cccc(Br)c1 ZINC000262012073 553164604 /nfs/dbraw/zinc/16/46/04/553164604.db2.gz QUSWNEDTSBBNHA-YPMHNXCESA-N 1 0 377.286 2.753 20 0 GFADRO C[C@H](Sc1ccc(Cl)cc1)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000262043802 553164876 /nfs/dbraw/zinc/16/48/76/553164876.db2.gz QKXRQWMZYYWJHB-SMDDNHRTSA-N 1 0 395.878 2.773 20 0 GFADRO O=C(c1ccc(C2SCCCS2)cc1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000262080203 553165320 /nfs/dbraw/zinc/16/53/20/553165320.db2.gz QLWSIJGWUQTTHR-KRWDZBQOSA-N 1 0 377.579 2.675 20 0 GFADRO O=C(C[C@H]1COCC[NH2+]1)NCC1(c2ccc(Cl)cc2Cl)CCOCC1 ZINC000262217030 553167554 /nfs/dbraw/zinc/16/75/54/553167554.db2.gz ORYHFKDPABHSEG-AWEZNQCLSA-N 1 0 387.307 2.536 20 0 GFADRO O=C(C[C@@H]1COCC[NH2+]1)Nc1nc(-c2ccc(Br)cc2)cs1 ZINC000262221843 553167610 /nfs/dbraw/zinc/16/76/10/553167610.db2.gz PFBLZIBVFRKLNL-GFCCVEGCSA-N 1 0 382.283 2.890 20 0 GFADRO [NH3+]CCCN(Cc1ccccc1)C(=O)c1cc(I)c[nH]1 ZINC000262486468 553171515 /nfs/dbraw/zinc/17/15/15/553171515.db2.gz SROHTRIPKDVSSQ-UHFFFAOYSA-N 1 0 383.233 2.611 20 0 GFADRO C[NH2+][C@H](C(=O)N1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1)c1cnn(C)c1 ZINC000262554149 553172395 /nfs/dbraw/zinc/17/23/95/553172395.db2.gz PEURQKHHPUUGBO-CJNGLKHVSA-N 1 0 383.279 2.667 20 0 GFADRO CCc1nc(C(=O)N2CC[C@H](C[NH2+]C)C2)nn1-c1c(Cl)cccc1Cl ZINC000262569874 553172502 /nfs/dbraw/zinc/17/25/02/553172502.db2.gz BXSJDXIIODNRRR-LLVKDONJSA-N 1 0 382.295 2.818 20 0 GFADRO CSCC[C@@H](NC(=O)c1ccccc1Cl)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000262582137 553172547 /nfs/dbraw/zinc/17/25/47/553172547.db2.gz KSVDJQVASZUBGH-OAHLLOKOSA-N 1 0 385.961 2.635 20 0 GFADRO O=C(COc1ccc(Br)cc1Cl)NCC[C@H]1CCC[NH2+]C1 ZINC000262590365 553172972 /nfs/dbraw/zinc/17/29/72/553172972.db2.gz AZHSCLBEGDUZFZ-LLVKDONJSA-N 1 0 375.694 2.987 20 0 GFADRO O=C(c1[nH]nc(-c2ccccc2)c1Br)N1CCC2CCC(C1)[NH2+]2 ZINC000262615750 553173025 /nfs/dbraw/zinc/17/30/25/553173025.db2.gz GFNYOZCEWZLWIS-OLZOCXBDSA-N 1 0 375.270 2.806 20 0 GFADRO CCCN([C@H]1CC[NH2+]C1)S(=O)(=O)c1cccc(Cl)c1Br ZINC000262797701 553176402 /nfs/dbraw/zinc/17/64/02/553176402.db2.gz ULCVCROZEWIPBP-JTQLQIEISA-N 1 0 381.723 2.865 20 0 GFADRO O=S(=O)(NC1CC[NH2+]CC1)c1ccc(Br)c(Cl)c1Cl ZINC000262797741 553176434 /nfs/dbraw/zinc/17/64/34/553176434.db2.gz UNWLZADMXKECAA-UHFFFAOYSA-N 1 0 388.114 2.786 20 0 GFADRO Cc1c(C(=O)N[C@@H]2CC[NH2+][C@H](C)C2)cnn1-c1ccc(Br)cc1 ZINC000262827915 553176578 /nfs/dbraw/zinc/17/65/78/553176578.db2.gz HMDYKOHDLNILLV-BXUZGUMPSA-N 1 0 377.286 2.814 20 0 GFADRO C[C@]([NH3+])(C(=O)N1CCC(n2cc(Br)cn2)CC1)c1ccccc1 ZINC000262828317 553176891 /nfs/dbraw/zinc/17/68/91/553176891.db2.gz ZBTUXALPDMOFPH-QGZVFWFLSA-N 1 0 377.286 2.683 20 0 GFADRO C[C@@H](C(=O)NC1CC1)[NH+]1CCC(C(=O)Nc2cccc(Br)c2)CC1 ZINC000263677508 553190665 /nfs/dbraw/zinc/19/06/65/553190665.db2.gz HMEWPZRSHXGWMB-LBPRGKRZSA-N 1 0 394.313 2.767 20 0 GFADRO O=C(CSc1nncs1)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000263665334 553190905 /nfs/dbraw/zinc/19/09/05/553190905.db2.gz DNXKQUWYTLWJER-UHFFFAOYSA-N 1 0 376.551 2.797 20 0 GFADRO C[C@H](CNC(=O)CCCOc1ccc(Cl)cc1Cl)N1CC[NH+](C)CC1 ZINC000263765446 553192788 /nfs/dbraw/zinc/19/27/88/553192788.db2.gz MFZFMFMPDLSGMI-CQSZACIVSA-N 1 0 388.339 2.905 20 0 GFADRO C[C@H]([NH3+])[C@H](C)NC(=O)NCCSCCOc1cccc(Br)c1 ZINC000417583767 563885202 /nfs/dbraw/zinc/88/52/02/563885202.db2.gz AESPFLZWOUXEPP-RYUDHWBXSA-N 1 0 390.347 2.596 20 0 GFADRO C[NH+](C)CCOC1CCN(S(=O)(=O)c2cc(Cl)sc2Cl)CC1 ZINC000474111649 564265880 /nfs/dbraw/zinc/26/58/80/564265880.db2.gz WIBZDMSFJWQFLV-UHFFFAOYSA-N 1 0 387.354 2.786 20 0 GFADRO Cc1cc(F)c(Br)cc1S(=O)(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000566224392 564317803 /nfs/dbraw/zinc/31/78/03/564317803.db2.gz NGHIGOAANQDUBS-NSHDSACASA-N 1 0 379.295 2.707 20 0 GFADRO CC[NH+](CC)CCS(=O)(=O)N[C@H]1CCc2c1ccc(F)c2Br ZINC000451913938 564366639 /nfs/dbraw/zinc/36/66/39/564366639.db2.gz YLJZOLOITFZPFO-AWEZNQCLSA-N 1 0 393.322 2.837 20 0 GFADRO COc1ccc(C(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1I ZINC000477287989 564372400 /nfs/dbraw/zinc/37/24/00/564372400.db2.gz YJBMGVKNGPDJAP-ZYHUDNBSSA-N 1 0 388.249 2.512 20 0 GFADRO C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)COc2cc(F)cc(Br)c2)C[C@H](C)O1 ZINC000567685771 564383680 /nfs/dbraw/zinc/38/36/80/564383680.db2.gz MCNBFUYIVAYEEF-BAESOJJISA-N 1 0 376.266 2.874 20 0 GFADRO CC[N@@H+](Cc1cc(Br)ccc1F)C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000513881400 564442083 /nfs/dbraw/zinc/44/20/83/564442083.db2.gz ONYSICVAJQKKQB-LBPRGKRZSA-N 1 0 393.322 2.692 20 0 GFADRO CC(C)[N@H+](C)CCCNc1ncnc2cccc(I)c21 ZINC000546575313 564459950 /nfs/dbraw/zinc/45/99/50/564459950.db2.gz LKDVLGDMSPBTHJ-UHFFFAOYSA-N 1 0 384.265 3.377 20 0 GFADRO CC[C@H]([NH2+]CC[C@]1(O)CCOC1)c1ccc(I)cc1 ZINC000593716417 565357937 /nfs/dbraw/zinc/35/79/37/565357937.db2.gz BSVWJDOIWZTEEK-GJZGRUSLSA-N 1 0 375.250 2.873 20 0 GFADRO CC[C@H](CSC)[NH2+][C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000280901881 563360005 /nfs/dbraw/zinc/36/00/05/563360005.db2.gz FKJZLJVBBGEIST-GXSJLCMTSA-N 1 0 381.361 2.889 20 0 GFADRO CC(C)[NH+]1CCC(Nc2c(F)cc(S(N)(=O)=O)cc2Br)CC1 ZINC000428128744 563483358 /nfs/dbraw/zinc/48/33/58/563483358.db2.gz DMFWUXHHBJQSSV-UHFFFAOYSA-N 1 0 394.310 2.520 20 0 GFADRO CS(=O)(=O)CC1CCC([NH2+][C@H]2CCN(c3ccc(Cl)cc3)C2=O)CC1 ZINC000294684103 563212611 /nfs/dbraw/zinc/21/26/11/563212611.db2.gz IEUSWYPCQXIXIO-PGEKIEPBSA-N 1 0 384.929 2.638 20 0 GFADRO [NH3+]CC[C@H](NC(=O)N[C@H]1C[C@H](c2ccc(Br)cc2)C1)C(F)F ZINC000418205635 563213279 /nfs/dbraw/zinc/21/32/79/563213279.db2.gz RVZLUNHXMBVNIA-DRZSPHRISA-N 1 0 376.245 2.977 20 0 GFADRO CC1(C)Cc2ccc(Br)cc2[C@H]1NC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000418217324 563214314 /nfs/dbraw/zinc/21/43/14/563214314.db2.gz PAVVVLVAISHGEZ-DVOMOZLQSA-N 1 0 378.314 2.933 20 0 GFADRO C[C@@](O)(CN1CCO[C@]2(CCOC2)C1)c1ccc(Br)cc1Cl ZINC000294729668 563214589 /nfs/dbraw/zinc/21/45/89/563214589.db2.gz WFNWHYYARSKACR-HZPDHXFCSA-N 1 0 390.705 2.801 20 0 GFADRO [NH3+][C@H]1CCC[C@@H](CNC(=O)NCc2nc3c(cccc3Br)[nH]2)C1 ZINC000418256163 563215046 /nfs/dbraw/zinc/21/50/46/563215046.db2.gz BQYYFNMDDSLRGT-MNOVXSKESA-N 1 0 380.290 2.642 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H](CNC(=O)NCc2nc3c(cccc3Br)[nH]2)C1 ZINC000418256160 563215080 /nfs/dbraw/zinc/21/50/80/563215080.db2.gz BQYYFNMDDSLRGT-GHMZBOCLSA-N 1 0 380.290 2.642 20 0 GFADRO Cc1cc(CNC(=O)N2C[C@H](C[NH3+])C3(C2)CCOCC3)ccc1Br ZINC000418278243 563215526 /nfs/dbraw/zinc/21/55/26/563215526.db2.gz IUAVTFXUWVYASS-HNNXBMFYSA-N 1 0 396.329 2.654 20 0 GFADRO O=C(NCCCN1CC[NH2+]CC1)N1CCC[C@H]1c1ccc(Br)cc1 ZINC000418292112 563215640 /nfs/dbraw/zinc/21/56/40/563215640.db2.gz XKFVUMBRKABMTA-KRWDZBQOSA-N 1 0 395.345 2.591 20 0 GFADRO C[C@@H]1c2cc(Cl)c(Cl)cc2CCN1C(=O)NCCCN1CC[NH2+]CC1 ZINC000418303453 563215748 /nfs/dbraw/zinc/21/57/48/563215748.db2.gz VTUHSRFXZKPGKC-CYBMUJFWSA-N 1 0 385.339 2.917 20 0 GFADRO O=C(NCCN1CC[NH2+]CC1)N1CCC(c2ccc(Cl)cc2Cl)CC1 ZINC000418297744 563215843 /nfs/dbraw/zinc/21/58/43/563215843.db2.gz LBFLPCQYEXUREQ-UHFFFAOYSA-N 1 0 385.339 2.788 20 0 GFADRO Cc1ccc(CN(C[C@@H]2CCCO2)C(=O)NCCC[NH3+])c(Br)c1 ZINC000418366195 563216202 /nfs/dbraw/zinc/21/62/02/563216202.db2.gz YLVIBYIAJLSTNI-HNNXBMFYSA-N 1 0 384.318 2.797 20 0 GFADRO COc1ccc(S(=O)(=O)NC[C@@H]2CC[N@H+](C)[C@H]2c2cccs2)cc1F ZINC000369540334 563216641 /nfs/dbraw/zinc/21/66/41/563216641.db2.gz NGCCSJGRRLPGGN-YVEFUNNKSA-N 1 0 384.498 2.867 20 0 GFADRO [NH3+]C1CCC(NC(=O)N[C@H](CO)c2ccc(Cl)cc2C(F)(F)F)CC1 ZINC000418394532 563217384 /nfs/dbraw/zinc/21/73/84/563217384.db2.gz ZSPOIVSJBXYEJC-QIMFLAQGSA-N 1 0 379.810 2.961 20 0 GFADRO CO[C@H]1CCN(Cc2ccc(Br)cc2C[N@@H+]2CC[C@H](OC)C2)C1 ZINC000277646654 563218802 /nfs/dbraw/zinc/21/88/02/563218802.db2.gz YWTBUMCNJQXINO-ROUUACIJSA-N 1 0 383.330 2.891 20 0 GFADRO CCOC(=O)C1([S@@](C)=O)CCN(Cc2ccc(Br)cc2)CC1 ZINC000294864981 563219114 /nfs/dbraw/zinc/21/91/14/563219114.db2.gz UGGDQZJOJYEMHT-JOCHJYFZSA-N 1 0 388.327 2.725 20 0 GFADRO C[C@@H](CC[NH3+])NC(=O)N(CCc1ccc(Cl)cc1)C[C@H](O)C(F)(F)F ZINC000418533187 563219534 /nfs/dbraw/zinc/21/95/34/563219534.db2.gz UZTCZMUYUHGYOD-FZMZJTMJSA-N 1 0 381.826 2.555 20 0 GFADRO CC[C@H](c1ccc(Br)cc1)N1CCN(C(=O)N[C@H](C)CC[NH3+])CC1 ZINC000418553748 563219984 /nfs/dbraw/zinc/21/99/84/563219984.db2.gz MVBVVIBKBNJZOM-RHSMWYFYSA-N 1 0 397.361 2.965 20 0 GFADRO C[C@@H](CC[NH3+])NC(=O)N[C@H](CO)c1ccc(Br)cc1C(F)(F)F ZINC000418563611 563220263 /nfs/dbraw/zinc/22/02/63/563220263.db2.gz SXPCSJFHGQYKLW-QPUJVOFHSA-N 1 0 398.223 2.538 20 0 GFADRO [NH3+]C[C@H](NC(=O)N(CCO)Cc1cc(Br)cs1)C1CCCC1 ZINC000418627962 563221477 /nfs/dbraw/zinc/22/14/77/563221477.db2.gz VCKDVIHZQQMUHK-AWEZNQCLSA-N 1 0 390.347 2.532 20 0 GFADRO COC[C@]1(CNC(=O)N(C)[C@@H](C)c2ccccc2Br)CCC[NH2+]1 ZINC000418658648 563222296 /nfs/dbraw/zinc/22/22/96/563222296.db2.gz UJJFFMLKXCZQNP-SUMWQHHRSA-N 1 0 384.318 2.920 20 0 GFADRO C[C@H](CCC[NH3+])NC(=O)N1CCO[C@@H](c2ccc(F)c(Br)c2)C1 ZINC000418695442 563222627 /nfs/dbraw/zinc/22/26/27/563222627.db2.gz XXTYGDQOBBJTFB-IAQYHMDHSA-N 1 0 388.281 2.799 20 0 GFADRO C[C@H]([NH3+])[C@H](C)NC(=O)N1CCC[C@H]1c1ccccc1I ZINC000418695094 563222924 /nfs/dbraw/zinc/22/29/24/563222924.db2.gz JCVYLYUZNHLUIM-MJVIPROJSA-N 1 0 387.265 2.873 20 0 GFADRO C[C@@H](NC(=O)N1CCC[C@H]1c1ccc(I)cc1)[C@H](C)[NH3+] ZINC000418729307 563223395 /nfs/dbraw/zinc/22/33/95/563223395.db2.gz QYBNZBAWMUPMGI-WDMOLILDSA-N 1 0 387.265 2.873 20 0 GFADRO Cc1c(Br)cccc1C(=O)NC[C@@H]1CCC[C@@H]1[NH+]1CCOCC1 ZINC000369727760 563223663 /nfs/dbraw/zinc/22/36/63/563223663.db2.gz QOWHHWAODFJJRF-YOEHRIQHSA-N 1 0 381.314 2.988 20 0 GFADRO CC[C@@H]([NH3+])CNC(=O)N[C@@H](CO)c1ccc(Br)cc1C(F)(F)F ZINC000418724957 563223730 /nfs/dbraw/zinc/22/37/30/563223730.db2.gz KLYKMYLUXFCULO-SKDRFNHKSA-N 1 0 398.223 2.538 20 0 GFADRO CSc1ccc([C@@H](CNC(=O)c2cc(Br)nn2C)[NH+](C)C)cc1 ZINC000294974733 563223922 /nfs/dbraw/zinc/22/39/22/563223922.db2.gz TWUZVQIGMJINSH-CQSZACIVSA-N 1 0 397.342 2.937 20 0 GFADRO CCCN(C(=O)NC[C@@H]1C[NH2+]CCN1C)[C@@H](C)c1ccccc1Br ZINC000418766880 563225056 /nfs/dbraw/zinc/22/50/56/563225056.db2.gz QIFYCPRXGUOBIO-GJZGRUSLSA-N 1 0 397.361 2.835 20 0 GFADRO Cn1cc([C@@H]2[C@H](CNC(=O)c3nc(Cl)ccc3Cl)CCC[N@@H+]2C)cn1 ZINC000369819467 563225937 /nfs/dbraw/zinc/22/59/37/563225937.db2.gz OCWVKGXUQQITEK-ZBEGNZNMSA-N 1 0 382.295 2.935 20 0 GFADRO O=C(N[C@@H]1C[NH2+]CCC1(F)F)N1CCc2cc(Br)cc(F)c21 ZINC000418779622 563226072 /nfs/dbraw/zinc/22/60/72/563226072.db2.gz ZLQCHQWKYFVDQZ-LLVKDONJSA-N 1 0 378.192 2.658 20 0 GFADRO C[C@@H](NC(=O)C(=O)N1CCC[C@@H](CC[NH3+])C1)c1cc(F)c(Cl)cc1Cl ZINC000418828703 563226342 /nfs/dbraw/zinc/22/63/42/563226342.db2.gz DBQGMYSINYEIQB-MNOVXSKESA-N 1 0 390.286 2.897 20 0 GFADRO COCC[N@H+](C)CCCNc1nc(C(F)(F)F)c(Br)s1 ZINC000418831379 563226556 /nfs/dbraw/zinc/22/65/56/563226556.db2.gz IUZDQXSFUFLBEN-UHFFFAOYSA-N 1 0 376.242 3.305 20 0 GFADRO CCCN(C(=O)C(=O)N[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl)[C@H]1CC[NH2+]C1 ZINC000418823425 563226675 /nfs/dbraw/zinc/22/66/75/563226675.db2.gz YCKQOEYPFJWIQB-DUVNUKRYSA-N 1 0 384.307 2.566 20 0 GFADRO COCC[N@@H+]1CCC[C@H]1CNc1nc(C(F)(F)F)c(Br)s1 ZINC000418849031 563227376 /nfs/dbraw/zinc/22/73/76/563227376.db2.gz ACEADZROBOOPKB-QMMMGPOBSA-N 1 0 388.253 3.447 20 0 GFADRO C[C@H](NC(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])C1)c1cc(F)c(Cl)cc1Cl ZINC000418852561 563228139 /nfs/dbraw/zinc/22/81/39/563228139.db2.gz RCUHSXXAQAYIEX-GUBZILKMSA-N 1 0 376.259 2.553 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)N[C@@H](C)c2cc(F)c(Cl)cc2Cl)C1 ZINC000418851724 563228151 /nfs/dbraw/zinc/22/81/51/563228151.db2.gz QAGRWSRGKWRUHD-VWYCJHECSA-N 1 0 390.286 2.896 20 0 GFADRO COc1cc(Br)c(CNC(=O)[C@H]2C[C@@H]3CCCC[N@@H+]3C2)cc1OC ZINC000369960764 563229516 /nfs/dbraw/zinc/22/95/16/563229516.db2.gz XUKPPNBTJZRPPV-KBPBESRZSA-N 1 0 397.313 2.957 20 0 GFADRO COc1cc(Br)c(CNC(=O)[C@H]2C[C@H]3CCCC[N@@H+]3C2)cc1OC ZINC000369960766 563229537 /nfs/dbraw/zinc/22/95/37/563229537.db2.gz XUKPPNBTJZRPPV-UONOGXRCSA-N 1 0 397.313 2.957 20 0 GFADRO Cc1csc(C(=O)N2CCC[N@@H+]3CCC[C@H]3C2)c1I ZINC000370013609 563231300 /nfs/dbraw/zinc/23/13/00/563231300.db2.gz ZKOWWOBMMATASK-NSHDSACASA-N 1 0 390.290 2.971 20 0 GFADRO C[C@@H]1C[N@H+](CCCNC(=O)[C@@H](O)c2ccc(Cl)c(Cl)c2)CCCO1 ZINC000295154882 563231798 /nfs/dbraw/zinc/23/17/98/563231798.db2.gz NYSDUYUPTZCFEB-WBMJQRKESA-N 1 0 375.296 2.644 20 0 GFADRO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)NCCCc2ccc(Cl)cc2Cl)C1 ZINC000419037234 563232592 /nfs/dbraw/zinc/23/25/92/563232592.db2.gz IEULNGIPFAZGNX-ZDUSSCGKSA-N 1 0 386.323 2.500 20 0 GFADRO CC(C)(C)S(=O)(=O)CC[NH2+]Cc1ccc(I)cc1 ZINC000295217385 563236007 /nfs/dbraw/zinc/23/60/07/563236007.db2.gz QNUXWSAJVHMDNO-UHFFFAOYSA-N 1 0 381.279 2.594 20 0 GFADRO CCC[C@@H](NC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)c1ccc(Cl)c(Cl)c1 ZINC000419305449 563236205 /nfs/dbraw/zinc/23/62/05/563236205.db2.gz RDZNEXFMZPLZFG-DVOMOZLQSA-N 1 0 384.307 2.629 20 0 GFADRO CCC[C@@H](NC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)c1ccc(Cl)c(Cl)c1 ZINC000419300921 563236335 /nfs/dbraw/zinc/23/63/35/563236335.db2.gz JWFLIOMMUNIHQN-WQVCFCJDSA-N 1 0 384.307 2.771 20 0 GFADRO Cc1ccc(Br)c(S(=O)(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000370233833 563236973 /nfs/dbraw/zinc/23/69/73/563236973.db2.gz SSPCAKCRFSZHPB-UKRRQHHQSA-N 1 0 387.343 2.910 20 0 GFADRO C[C@@H]1CN(Cc2cc(Br)cc3cccnc32)[C@@H](C)C[N@@H+]1CCO ZINC000419324671 563237158 /nfs/dbraw/zinc/23/71/58/563237158.db2.gz KFHBWMYJYFPUMF-KGLIPLIRSA-N 1 0 378.314 2.884 20 0 GFADRO COc1cccc2c1C[C@H]([NH2+][C@@H](C(N)=O)c1ccc(Br)cc1)C2 ZINC000419333629 563237215 /nfs/dbraw/zinc/23/72/15/563237215.db2.gz SPUBQMVLHASNBW-RHSMWYFYSA-N 1 0 375.266 2.741 20 0 GFADRO Cn1cnc2c1CCN(S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)C2 ZINC000370257612 563237900 /nfs/dbraw/zinc/23/79/00/563237900.db2.gz WTRWHSYHFMJQNE-UHFFFAOYSA-N 1 0 379.791 2.839 20 0 GFADRO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1Cc1cccc(Br)c1OC(F)F ZINC000419346756 563238674 /nfs/dbraw/zinc/23/86/74/563238674.db2.gz VVTYCJFZOCLGGT-NWDGAFQWSA-N 1 0 393.272 2.937 20 0 GFADRO CSCC[C@@H]1NC(=S)N(C[C@]2(C)CC[N@H+](Cc3ccccc3)C2)C1=O ZINC000370310075 563240217 /nfs/dbraw/zinc/24/02/17/563240217.db2.gz XANQOEWAQSCNRN-QFBILLFUSA-N 1 0 377.579 2.737 20 0 GFADRO C[C@H](CNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2)c1c(Cl)cccc1Cl ZINC000419521471 563240902 /nfs/dbraw/zinc/24/09/02/563240902.db2.gz RRPFKTXHAGAWGA-UPJWGTAASA-N 1 0 384.307 2.566 20 0 GFADRO C[C@H](CNC(=O)C(=O)N1CC[C@H](C)[C@H](C[NH3+])C1)c1c(Cl)cccc1Cl ZINC000419517166 563241298 /nfs/dbraw/zinc/24/12/98/563241298.db2.gz MDFLVBNRQHBJSK-YNEHKIRRSA-N 1 0 386.323 2.656 20 0 GFADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)Nc3ccc([S@](=O)C(F)(F)F)cc3)[C@H]2C1 ZINC000370366534 563242075 /nfs/dbraw/zinc/24/20/75/563242075.db2.gz PZNVRSVBMVMBJU-XPZKFQLMSA-N 1 0 375.416 2.872 20 0 GFADRO CCCN(C(=O)C(=O)N[C@@H](C)Cc1c(Cl)cccc1Cl)[C@H]1CC[NH2+]C1 ZINC000419595323 563243358 /nfs/dbraw/zinc/24/33/58/563243358.db2.gz OVIHDPQXIPAEDM-STQMWFEESA-N 1 0 386.323 2.641 20 0 GFADRO O=C(Nc1cc(F)ccc1Br)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000370469800 563245118 /nfs/dbraw/zinc/24/51/18/563245118.db2.gz FKOXKGVGGSCGFF-CABCVRRESA-N 1 0 386.265 2.651 20 0 GFADRO CC[C@@H](CC(F)(F)F)[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000419679526 563245235 /nfs/dbraw/zinc/24/52/35/563245235.db2.gz GBCCETHSSOJDLO-VIFPVBQESA-N 1 0 389.237 2.917 20 0 GFADRO COc1cc(Cl)c(Cl)cc1NC(=O)N1CCC[N@@H+]([C@@H](C)CO)CC1 ZINC000370516413 563246540 /nfs/dbraw/zinc/24/65/40/563246540.db2.gz BZKZZWGGCLWIAD-NSHDSACASA-N 1 0 376.284 2.922 20 0 GFADRO CC(=O)CSCC(=O)N(CC[NH+](C)C)Cc1cccc(C(F)(F)F)c1 ZINC000278266060 563247314 /nfs/dbraw/zinc/24/73/14/563247314.db2.gz DOUBJCYNYALIMB-UHFFFAOYSA-N 1 0 376.444 2.918 20 0 GFADRO Cc1c2cc(Cl)ccc2sc1CNC(=O)C(=O)N(C)C1CC[NH2+]CC1 ZINC000419708617 563247442 /nfs/dbraw/zinc/24/74/42/563247442.db2.gz MBCXDWCXRYDFIE-UHFFFAOYSA-N 1 0 379.913 2.690 20 0 GFADRO C[N@H+](CCCNC(=O)c1cc2c(s1)CCS(=O)(=O)C2)C1CCCCC1 ZINC000370538791 563247975 /nfs/dbraw/zinc/24/79/75/563247975.db2.gz OJFFPRBTEZHUIU-UHFFFAOYSA-N 1 0 384.567 2.603 20 0 GFADRO CN(C)c1ncc(C[NH2+][C@@H]2CCN(c3cccc(Br)c3)C2)n1C ZINC000419736228 563248823 /nfs/dbraw/zinc/24/88/23/563248823.db2.gz WXPATKPATRUWCW-CQSZACIVSA-N 1 0 378.318 2.617 20 0 GFADRO O=C([N-]CC1CCN(Cc2cnc(Br)s2)CC1)C(F)(F)F ZINC000295475764 563249864 /nfs/dbraw/zinc/24/98/64/563249864.db2.gz YJYUXMOGFDGEEG-UHFFFAOYSA-N 1 0 386.237 2.796 20 0 GFADRO C[C@H](C[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1)CC(F)(F)F ZINC000419825211 563251649 /nfs/dbraw/zinc/25/16/49/563251649.db2.gz UZYBDIPVTDVMQE-QMMMGPOBSA-N 1 0 389.237 2.775 20 0 GFADRO O=C(NCC[C@H]1CC[NH2+]C1)C(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000419908416 563252336 /nfs/dbraw/zinc/25/23/36/563252336.db2.gz DTVUXPNEHRHQSC-WBMJQRKESA-N 1 0 384.307 2.773 20 0 GFADRO O=C(NCc1ccccc1Br)NC[C@@H]1CCC[C@@H]1[NH+]1CCOCC1 ZINC000370759960 563253881 /nfs/dbraw/zinc/25/38/81/563253881.db2.gz PFNVDHBJUUHICJ-RDJZCZTQSA-N 1 0 396.329 2.749 20 0 GFADRO O=C(NCCSCCCO)C1CC[NH+](Cc2ccc(Cl)s2)CC1 ZINC000370734498 563253963 /nfs/dbraw/zinc/25/39/63/563253963.db2.gz GNVFHHQOHWMMBV-UHFFFAOYSA-N 1 0 376.975 2.845 20 0 GFADRO O=C(NCc1ccccc1Br)NC[C@@H]1CCC[C@H]1[NH+]1CCOCC1 ZINC000370759958 563254016 /nfs/dbraw/zinc/25/40/16/563254016.db2.gz PFNVDHBJUUHICJ-DOTOQJQBSA-N 1 0 396.329 2.749 20 0 GFADRO COc1ccc(Br)c(C(=O)NC[C@@H]2CCC[C@@H]2[NH+]2CCOCC2)c1 ZINC000370758662 563254057 /nfs/dbraw/zinc/25/40/57/563254057.db2.gz LCTYCUMRAIDYHO-GUYCJALGSA-N 1 0 397.313 2.688 20 0 GFADRO CN(Cc1cccc(Cl)c1Cl)C(=O)C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000419968084 563254521 /nfs/dbraw/zinc/25/45/21/563254521.db2.gz PKZKJOUJXQJDKF-OAHLLOKOSA-N 1 0 386.323 2.976 20 0 GFADRO C[NH+](C)CC[C@@](C)(O)CNC(=O)Cc1cc(Cl)c(Br)cc1F ZINC000419974738 563255265 /nfs/dbraw/zinc/25/52/65/563255265.db2.gz KQKQBYAZJMLIDD-OAHLLOKOSA-N 1 0 395.700 2.603 20 0 GFADRO CCC([NH3+])(CC)CNC(=O)C(=O)N(Cc1cccs1)Cc1cccs1 ZINC000420084637 563258321 /nfs/dbraw/zinc/25/83/21/563258321.db2.gz VYSPGNWRWAVQHG-UHFFFAOYSA-N 1 0 379.551 2.972 20 0 GFADRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)N(Cc1ccc(Cl)c(Cl)c1)C1CC1 ZINC000420117246 563258635 /nfs/dbraw/zinc/25/86/35/563258635.db2.gz HSOHQEHDTOELLP-BDJLRTHQSA-N 1 0 384.307 2.599 20 0 GFADRO C[C@H]1C[C@@H](NC(=O)C(=O)N(Cc2ccc(Cl)c(Cl)c2)C2CC2)CC[NH2+]1 ZINC000420128878 563258871 /nfs/dbraw/zinc/25/88/71/563258871.db2.gz QEFCDYSPSNTKFZ-AAEUAGOBSA-N 1 0 384.307 2.741 20 0 GFADRO CC[NH2+][C@H](C)CNC(=O)C(=O)N1CC=C(c2ccc(Cl)c(Cl)c2)CC1 ZINC000420152037 563258949 /nfs/dbraw/zinc/25/89/49/563258949.db2.gz CYVVLLKXMPIQOO-GFCCVEGCSA-N 1 0 384.307 2.723 20 0 GFADRO CCn1ccnc1CNC(=O)C1(c2cccc(Br)c2)CC(=O)C1 ZINC000295794048 563262235 /nfs/dbraw/zinc/26/22/35/563262235.db2.gz RDHLIYPYBCKRMD-UHFFFAOYSA-N 1 0 376.254 2.583 20 0 GFADRO [NH3+][C@H]1Cc2ccccc2N(CCS(=O)(=O)c2cccc(Br)c2)C1 ZINC000420396169 563262852 /nfs/dbraw/zinc/26/28/52/563262852.db2.gz CQPOXXHJBSPPOB-HNNXBMFYSA-N 1 0 395.322 2.613 20 0 GFADRO CC1(C)C[NH2+]CC[C@H]1NS(=O)(=O)c1cc(Cl)ccc1Br ZINC000420458540 563264427 /nfs/dbraw/zinc/26/44/27/563264427.db2.gz JAEPYQDKOSSRGC-GFCCVEGCSA-N 1 0 381.723 2.769 20 0 GFADRO [NH3+][C@@H]1CN(S(=O)(=O)Cc2ccc(F)c(Cl)c2)C[C@H]1c1cccc(F)c1 ZINC000420466707 563264555 /nfs/dbraw/zinc/26/45/55/563264555.db2.gz AYTKKLBTCMWHAV-WMLDXEAASA-N 1 0 386.851 2.875 20 0 GFADRO C[C@@H]1OCC[C@@]1(O)C[NH2+]C1CCN(Cc2ccccc2Br)CC1 ZINC000278656178 563265053 /nfs/dbraw/zinc/26/50/53/563265053.db2.gz MSBKHCGDZJCXTB-KBXCAEBGSA-N 1 0 383.330 2.543 20 0 GFADRO CCc1ccccc1[C@H]([NH3+])CNS(=O)(=O)c1ccccc1Br ZINC000420472239 563265089 /nfs/dbraw/zinc/26/50/89/563265089.db2.gz ZJZYQICSFWYBCP-OAHLLOKOSA-N 1 0 383.311 2.990 20 0 GFADRO C[C@@H]1CN(S(=O)(=O)c2ccc(Br)c(Cl)c2)C[C@@]1(C)C[NH3+] ZINC000420468144 563265126 /nfs/dbraw/zinc/26/51/26/563265126.db2.gz ZIESWRGPSDWETI-NOZJJQNGSA-N 1 0 381.723 2.708 20 0 GFADRO C[C@@H]1CCN(S(=O)(=O)c2ccc(Cl)cc2Br)C[C@@H]1C[NH3+] ZINC000420474046 563265270 /nfs/dbraw/zinc/26/52/70/563265270.db2.gz DYAXTLRSCHWFFL-ZJUUUORDSA-N 1 0 381.723 2.708 20 0 GFADRO COC(=O)c1sc(S(=O)(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c(C)c1Cl ZINC000278668785 563265628 /nfs/dbraw/zinc/26/56/28/563265628.db2.gz FRUCLMQUNRUIHS-GXSJLCMTSA-N 1 0 394.946 2.600 20 0 GFADRO C[C@H](NC(=O)CN1CCC2(CCOC2=O)CC1)c1ccc(Br)cc1 ZINC000371152017 563266838 /nfs/dbraw/zinc/26/68/38/563266838.db2.gz SCRCXQHXCMWNPU-ZDUSSCGKSA-N 1 0 395.297 2.655 20 0 GFADRO C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@H]1NC(=O)Nc1cncc(Br)c1 ZINC000371195919 563268210 /nfs/dbraw/zinc/26/82/10/563268210.db2.gz AZASJSQIRIVFGB-DAXOMENPSA-N 1 0 397.317 2.855 20 0 GFADRO C[C@H](C[N@H+]1C[C@@H](c2cnn(C)c2)[C@H](CO)C1)c1cccc(Br)c1 ZINC000278755694 563269013 /nfs/dbraw/zinc/26/90/13/563269013.db2.gz SMVPEENXUTXIQY-SKDZVZGDSA-N 1 0 378.314 2.994 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)COc1ccccc1Br ZINC000371242924 563270059 /nfs/dbraw/zinc/27/00/59/563270059.db2.gz QMDQIOBDIPOQCB-UNEWFSDZSA-N 1 0 397.313 2.538 20 0 GFADRO C[C@H](CNS(=O)(=O)c1cc(F)ccc1OC(F)F)[NH+]1CCC(C)CC1 ZINC000420661059 563270292 /nfs/dbraw/zinc/27/02/92/563270292.db2.gz KZNUUASFSAMSII-GFCCVEGCSA-N 1 0 380.432 2.826 20 0 GFADRO Cc1sc2c(cccc2C)c1S(=O)(=O)NCC1CC[NH+](CCO)CC1 ZINC000420681434 563274097 /nfs/dbraw/zinc/27/40/97/563274097.db2.gz XRBLZXMRJPXABK-UHFFFAOYSA-N 1 0 382.551 2.501 20 0 GFADRO C[N@@H+]1C[C@@H]2CN(S(=O)(=O)c3cncc(Cl)c3)C[C@H]2[C@H]1c1ccccc1 ZINC000371371503 563275271 /nfs/dbraw/zinc/27/52/71/563275271.db2.gz SEMYLGSLWMJVNT-ZTFGCOKTSA-N 1 0 377.897 2.658 20 0 GFADRO C[N@@H+]1CCC[C@H]2CN(S(=O)(=O)c3cc(F)ccc3OC(F)F)CC[C@H]21 ZINC000420705063 563276927 /nfs/dbraw/zinc/27/69/27/563276927.db2.gz WICUNAZDOBZNGS-WCQYABFASA-N 1 0 378.416 2.532 20 0 GFADRO Cc1cn2c(n1)CC[C@H]([NH2+][C@H](C)C(=O)Nc1cccc(Br)c1)C2 ZINC000371490064 563279178 /nfs/dbraw/zinc/27/91/78/563279178.db2.gz CKCRYWWOVNIXEW-DOMZBBRYSA-N 1 0 377.286 2.886 20 0 GFADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)Cc1sccc1Br ZINC000296217649 563279323 /nfs/dbraw/zinc/27/93/23/563279323.db2.gz MPXAWKNKGVAYEE-LBPRGKRZSA-N 1 0 387.343 2.765 20 0 GFADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)c3ccc(Br)c(C)c3F)C2)CC1 ZINC000278995497 563279717 /nfs/dbraw/zinc/27/97/17/563279717.db2.gz NAOXGFNPJXARTA-CQSZACIVSA-N 1 0 398.320 2.749 20 0 GFADRO Cc1c(Br)cccc1NC(=O)C(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000296263688 563281319 /nfs/dbraw/zinc/28/13/19/563281319.db2.gz SPFJOIYSHAXPBN-UHFFFAOYSA-N 1 0 394.313 2.829 20 0 GFADRO O=C(Cc1cc[nH]c(=O)c1Br)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000279082433 563283229 /nfs/dbraw/zinc/28/32/29/563283229.db2.gz PYOURZQVZUREIE-CYBMUJFWSA-N 1 0 394.269 2.639 20 0 GFADRO O=C(NCC1CC[NH+](C2CC2)CC1)[C@@H]1COc2ccc(Br)cc21 ZINC000279077235 563283284 /nfs/dbraw/zinc/28/32/84/563283284.db2.gz PCOUWGROHQPEEE-MRXNPFEDSA-N 1 0 379.298 2.916 20 0 GFADRO C[N@@H+]1CCC[C@H](CCNS(=O)(=O)c2cc(Cl)ccc2OC(F)F)C1 ZINC000420757540 563284342 /nfs/dbraw/zinc/28/43/42/563284342.db2.gz UWDWEGHKCDYGPZ-LLVKDONJSA-N 1 0 382.860 2.952 20 0 GFADRO C[N@@H+]1CCC[C@H](CNC(=O)CNCC(F)(F)F)[C@H]1c1cccc(Cl)c1 ZINC000371769802 563287440 /nfs/dbraw/zinc/28/74/40/563287440.db2.gz NBLNHRFHDFYDBX-CZUORRHYSA-N 1 0 377.838 2.991 20 0 GFADRO Cc1ncsc1CCS(=O)(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000296503143 563289910 /nfs/dbraw/zinc/28/99/10/563289910.db2.gz ZKEUJBQQQDYZHU-QGZVFWFLSA-N 1 0 379.551 2.530 20 0 GFADRO C[C@H](C[NH2+]C1CCN(S(=O)(=O)c2cccs2)CC1)N1CCC[C@@H](C)C1 ZINC000371980608 563292688 /nfs/dbraw/zinc/29/26/88/563292688.db2.gz ZTTHQYXYECAWGA-HZPDHXFCSA-N 1 0 385.599 2.611 20 0 GFADRO COC1([C@H](C)[NH2+]C[C@H](O)COc2cc(Cl)ccc2Cl)CCOCC1 ZINC000421027207 563293072 /nfs/dbraw/zinc/29/30/72/563293072.db2.gz GIXGIYMFBPLINO-JSGCOSHPSA-N 1 0 378.296 2.907 20 0 GFADRO CC[NH+]1CCC(N2CCCN([C@H](C)c3ncc(Br)cn3)CC2)CC1 ZINC000420983317 563293193 /nfs/dbraw/zinc/29/31/93/563293193.db2.gz QLKYZQFWTDDDHN-OAHLLOKOSA-N 1 0 396.377 2.792 20 0 GFADRO O[C@@H](COc1ccc(Cl)cc1Br)C[N@@H+]1CC[C@@]12CCOC2 ZINC000421027086 563293594 /nfs/dbraw/zinc/29/35/94/563293594.db2.gz UJCRYTJQEGWUPQ-DOMZBBRYSA-N 1 0 376.678 2.707 20 0 GFADRO C[C@H](NC(=O)NCCCC[NH+]1CCOCC1)c1nc(C(F)(F)F)cs1 ZINC000279473829 563297484 /nfs/dbraw/zinc/29/74/84/563297484.db2.gz KDKOZFCVVCHTOQ-NSHDSACASA-N 1 0 380.436 2.635 20 0 GFADRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)Nc1nnc2ccc(Br)cn21 ZINC000296703027 563297553 /nfs/dbraw/zinc/29/75/53/563297553.db2.gz CABOXPNRRWCXNM-YPMHNXCESA-N 1 0 393.289 2.582 20 0 GFADRO [NH3+][C@H]1CN(S(=O)(=O)c2ccccc2Br)C[C@H]1c1ccc(F)cc1 ZINC000372178952 563297950 /nfs/dbraw/zinc/29/79/50/563297950.db2.gz NEHGRIDYBUMKKW-ZFWWWQNUSA-N 1 0 399.285 2.704 20 0 GFADRO COc1ccc([C@@H]2CCN(C(=O)C[C@H]3CSCCS3)C[C@@H]2[NH3+])cc1F ZINC000296821417 563302967 /nfs/dbraw/zinc/30/29/67/563302967.db2.gz ANCXCLBICKVTMZ-DZKIICNBSA-N 1 0 384.542 2.716 20 0 GFADRO C[NH+](C)C1CCC(NC(=O)C(=O)Nc2nc(-c3cccs3)cs2)CC1 ZINC000421291775 563305785 /nfs/dbraw/zinc/30/57/85/563305785.db2.gz ZOXUTPOXNJPYMX-UHFFFAOYSA-N 1 0 378.523 2.799 20 0 GFADRO C[N@@H+]1CC[C@@H](CNS(=O)(=O)c2cc(F)ccc2Cl)[C@@H]1c1cccnc1 ZINC000372432970 563306146 /nfs/dbraw/zinc/30/61/46/563306146.db2.gz ZDYMIWRVGFUOPR-GUYCJALGSA-N 1 0 383.876 2.845 20 0 GFADRO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)N1[C@@H]2CC[C@H]1C[C@H]([NH3+])C2 ZINC000372430167 563306454 /nfs/dbraw/zinc/30/64/54/563306454.db2.gz DGLICPQFYFSKMM-XYYAHUGASA-N 1 0 391.265 2.958 20 0 GFADRO Cc1c(C(=O)N[C@@H]2CCC[NH2+]CC2)cnn1-c1cccc(Br)c1 ZINC000372446927 563306835 /nfs/dbraw/zinc/30/68/35/563306835.db2.gz QCKHZNMHNAACLD-CQSZACIVSA-N 1 0 377.286 2.815 20 0 GFADRO NC(=O)[C@H]1CC[C@H](C[NH2+]Cc2cc(Br)c3c(c2)OCCO3)CC1 ZINC000421365136 563308508 /nfs/dbraw/zinc/30/85/08/563308508.db2.gz UJDVVXVWDXBGEY-AULYBMBSSA-N 1 0 383.286 2.602 20 0 GFADRO Cc1cc(Br)cn2c(C[NH2+]C[C@H]3CC[C@H](C(N)=O)CC3)cnc12 ZINC000421351698 563308800 /nfs/dbraw/zinc/30/88/00/563308800.db2.gz OMGDARCIWKZHKZ-JOCQHMNTSA-N 1 0 379.302 2.787 20 0 GFADRO CCCN1C[C@@H](C[NH2+]Cc2ccc(F)cc2I)CC1=O ZINC000421356641 563308927 /nfs/dbraw/zinc/30/89/27/563308927.db2.gz XUJVADNDEHAFPG-LLVKDONJSA-N 1 0 390.240 2.778 20 0 GFADRO C[C@@H](C(=O)Nc1ccc(Br)cc1)[N@@H+]1CC[C@]2(C1)CCCN(C)C2=O ZINC000372558843 563311160 /nfs/dbraw/zinc/31/11/60/563311160.db2.gz WDTIRUZSPLWMSD-UGSOOPFHSA-N 1 0 394.313 2.720 20 0 GFADRO C[NH+](C)[C@@H]1CCOc2c(NC(=O)c3ccc(S(C)(=O)=O)s3)cccc21 ZINC000421565432 563314347 /nfs/dbraw/zinc/31/43/47/563314347.db2.gz VJNIKUUFBBFBSP-CYBMUJFWSA-N 1 0 380.491 2.789 20 0 GFADRO O=C(CCCOc1ccc(Cl)cc1Cl)NCC[NH+]1CCC(O)CC1 ZINC000297071225 563314865 /nfs/dbraw/zinc/31/48/65/563314865.db2.gz VLLHWTRDOBCGNY-UHFFFAOYSA-N 1 0 375.296 2.725 20 0 GFADRO CCN(Cc1ccccc1Br)C(=O)NCC[N@@H+]1CCCOCC1 ZINC000297106245 563315454 /nfs/dbraw/zinc/31/54/54/563315454.db2.gz OELIWAREVUJOLR-UHFFFAOYSA-N 1 0 384.318 2.703 20 0 GFADRO C[C@@H](CO)[N@@H+]1CCCN(C(=O)CCCc2ccccc2Br)CC1 ZINC000372733515 563315448 /nfs/dbraw/zinc/31/54/48/563315448.db2.gz YHZMGXQQMMULCN-HNNXBMFYSA-N 1 0 383.330 2.687 20 0 GFADRO C[C@@H]([NH2+][C@H]1CC[C@H](CO)CC1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000279959652 563316455 /nfs/dbraw/zinc/31/64/55/563316455.db2.gz CGVYCCKTFORULL-GMTAPVOTSA-N 1 0 381.325 2.843 20 0 GFADRO Cc1ncsc1CCS(=O)(=O)N(C)[C@@H](c1ncc[nH]1)c1ccccc1 ZINC000297140259 563316793 /nfs/dbraw/zinc/31/67/93/563316793.db2.gz QSWLQBIDQCQYEP-MRXNPFEDSA-N 1 0 376.507 2.768 20 0 GFADRO C[C@H]([NH2+][C@H]1CCN(CCN2CCOCC2)C1)c1ccccc1Br ZINC000372783433 563317184 /nfs/dbraw/zinc/31/71/84/563317184.db2.gz KGNNNYLCHWJWNY-HOTGVXAUSA-N 1 0 382.346 2.506 20 0 GFADRO COCCOC[C@@H](O)C[N@@H+]1CCC[C@@H]1c1cc(Br)ccc1OC ZINC000297149582 563317307 /nfs/dbraw/zinc/31/73/07/563317307.db2.gz OGAGYFIIPHWXJX-GOEBONIOSA-N 1 0 388.302 2.619 20 0 GFADRO C[C@@H]([NH2+][C@@H]1CCN(CCN2CCOCC2)C1)c1ccccc1Br ZINC000372783434 563317306 /nfs/dbraw/zinc/31/73/06/563317306.db2.gz KGNNNYLCHWJWNY-HZPDHXFCSA-N 1 0 382.346 2.506 20 0 GFADRO CCS(=O)(=O)c1ccc(C[NH2+][C@@H](C)c2ccc(-n3cncn3)cc2)s1 ZINC000279986916 563317492 /nfs/dbraw/zinc/31/74/92/563317492.db2.gz DZWXAZNNGRWXQK-ZDUSSCGKSA-N 1 0 376.507 2.973 20 0 GFADRO COC(=O)c1cc(NC(=O)NC[C@H]2CC[N@H+](C)C2)c(C)cc1Br ZINC000297205605 563319335 /nfs/dbraw/zinc/31/93/35/563319335.db2.gz YFGWAOUAJWXPGM-LLVKDONJSA-N 1 0 384.274 2.617 20 0 GFADRO C[C@@H](NCCC[NH+]1CCCC1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000280034711 563319374 /nfs/dbraw/zinc/31/93/74/563319374.db2.gz IJCTUHPEBQWXRG-LLVKDONJSA-N 1 0 380.341 2.777 20 0 GFADRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)c1cc(F)ccc1I ZINC000421704912 563319505 /nfs/dbraw/zinc/31/95/05/563319505.db2.gz QCBFPLVZHGYGCH-NSHDSACASA-N 1 0 376.213 2.597 20 0 GFADRO CC(C)[N@H+](C)Cc1cccc(CNC(=O)c2ccc(S(C)(=O)=O)s2)c1 ZINC000421768778 563321324 /nfs/dbraw/zinc/32/13/24/563321324.db2.gz PPJQVHYBCXGWLL-UHFFFAOYSA-N 1 0 380.535 2.922 20 0 GFADRO CSc1ccc([C@H](CNC(=O)NCC[S@@](=O)C(C)(C)C)N(C)C)cc1 ZINC000297284667 563322159 /nfs/dbraw/zinc/32/21/59/563322159.db2.gz PPNDZCCONLYTRE-IVCQMTBJSA-N 1 0 385.599 2.858 20 0 GFADRO CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)c1cc(Br)nn1C ZINC000373001981 563324732 /nfs/dbraw/zinc/32/47/32/563324732.db2.gz YZNIUOLMOHSTIS-UHFFFAOYSA-N 1 0 392.301 2.566 20 0 GFADRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)[C@H]1CCCN1C(=O)c1ccc(Cl)s1 ZINC000373079588 563328025 /nfs/dbraw/zinc/32/80/25/563328025.db2.gz XMJQVHDAJGIZRC-GXTWGEPZSA-N 1 0 381.929 2.607 20 0 GFADRO CNC(=O)CN1CCC([NH2+][C@@H](c2ccc(Br)cc2F)C2CC2)CC1 ZINC000280267560 563329595 /nfs/dbraw/zinc/32/95/95/563329595.db2.gz XRGAEWWEVARSIN-GOSISDBHSA-N 1 0 398.320 2.839 20 0 GFADRO COC(=O)c1cc(NC(=O)N2CC[C@H]3CC[N@H+](C)[C@@H]3C2)ccc1Br ZINC000373183797 563330992 /nfs/dbraw/zinc/33/09/92/563330992.db2.gz AAHUZFIUJRAYGQ-IAQYHMDHSA-N 1 0 396.285 2.794 20 0 GFADRO Cc1ccc(F)c(C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)c1Br ZINC000373314930 563334874 /nfs/dbraw/zinc/33/48/74/563334874.db2.gz AZVKWZRFICJJHV-ZDUSSCGKSA-N 1 0 385.277 2.880 20 0 GFADRO CCOc1cc(C[NH2+]C[C@@H](CO)[C@H]2CCOC2)cc(Br)c1OC ZINC000280399189 563335459 /nfs/dbraw/zinc/33/54/59/563335459.db2.gz XPMLYAXXGANUOG-KBPBESRZSA-N 1 0 388.302 2.591 20 0 GFADRO C[C@@H]([NH2+]CCc1ccccc1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000280495597 563339783 /nfs/dbraw/zinc/33/97/83/563339783.db2.gz DJHGVIGGWNVVSV-GFCCVEGCSA-N 1 0 383.311 2.990 20 0 GFADRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)N(C)Cc1ccc(Cl)c(Cl)c1 ZINC000298062873 563343532 /nfs/dbraw/zinc/34/35/32/563343532.db2.gz RPARGHBZKSICDK-WBMJQRKESA-N 1 0 386.323 2.750 20 0 GFADRO C[NH+](C)CCCN(C(=O)c1cc(Cl)ccc1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000298107973 563344898 /nfs/dbraw/zinc/34/48/98/563344898.db2.gz OILMFMQDTCOFKJ-ZDUSSCGKSA-N 1 0 393.336 2.574 20 0 GFADRO COc1ccc(Br)cc1C[N@H+](C)C[C@H](O)COCCOC(C)C ZINC000298204739 563347564 /nfs/dbraw/zinc/34/75/64/563347564.db2.gz NDKDYQKBUGRMBS-INIZCTEOSA-N 1 0 390.318 2.692 20 0 GFADRO C[C@@H](NCC(C)(C)S(=O)(=O)c1ccc(Br)cc1)[C@H]1CCC[NH2+]1 ZINC000422759583 563349012 /nfs/dbraw/zinc/34/90/12/563349012.db2.gz LBSDRWGICUCENT-IUODEOHRSA-N 1 0 389.359 2.732 20 0 GFADRO C[N@@H+]1CC[C@@H](CNC(=O)NCCOCC(F)F)[C@@H]1c1cccc(Cl)c1 ZINC000373759634 563349519 /nfs/dbraw/zinc/34/95/19/563349519.db2.gz WFSLFQFJVUQTDP-BBRMVZONSA-N 1 0 375.847 2.914 20 0 GFADRO C[C@H]([NH2+]CCC(=O)N(C)Cc1ccccc1Br)c1cnccc1N ZINC000422903559 563350666 /nfs/dbraw/zinc/35/06/66/563350666.db2.gz FQOZCVXXFNMAMO-ZDUSSCGKSA-N 1 0 391.313 2.956 20 0 GFADRO CN(Cc1ccccc1Br)C(=O)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000422920970 563350870 /nfs/dbraw/zinc/35/08/70/563350870.db2.gz ODTBGCMNMOFJSI-HNNXBMFYSA-N 1 0 377.286 2.842 20 0 GFADRO CN(C[C@@H](O)c1ccccc1Br)C(=O)NCC1([NH+](C)C)CCC1 ZINC000298320398 563350957 /nfs/dbraw/zinc/35/09/57/563350957.db2.gz NYUPDIMRQMNLRT-OAHLLOKOSA-N 1 0 384.318 2.608 20 0 GFADRO CC(C)[C@@H](C(=O)N1CCN(C(=O)c2cccc(Cl)c2Cl)CC1)[C@H](C)[NH3+] ZINC000422998306 563352258 /nfs/dbraw/zinc/35/22/58/563352258.db2.gz WKJYLSLXPKZNEG-SWLSCSKDSA-N 1 0 386.323 2.897 20 0 GFADRO CN(Cc1cccc(Cl)c1Cl)C(=O)C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000422991817 563352286 /nfs/dbraw/zinc/35/22/86/563352286.db2.gz BVUTZONQYWQMPR-SFHVURJKSA-N 1 0 384.307 2.554 20 0 GFADRO CN(Cc1cccc(Cl)c1Cl)C(=O)C(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000422991816 563352700 /nfs/dbraw/zinc/35/27/00/563352700.db2.gz BVUTZONQYWQMPR-GOSISDBHSA-N 1 0 384.307 2.554 20 0 GFADRO C[C@@H]1CN(C(=O)C(=O)N(Cc2cccs2)Cc2cccs2)CC[C@H]1[NH3+] ZINC000423014552 563353040 /nfs/dbraw/zinc/35/30/40/563353040.db2.gz IRYILWKYFWOOOM-CZUORRHYSA-N 1 0 377.535 2.534 20 0 GFADRO C[C@@]1(C[NH3+])CCN(C(=O)C(=O)N(Cc2cccs2)Cc2cccs2)C1 ZINC000423013416 563353134 /nfs/dbraw/zinc/35/31/34/563353134.db2.gz FYLHCYPBPVUDST-SFHVURJKSA-N 1 0 377.535 2.536 20 0 GFADRO CSc1nc(C)c(CCC(=O)NC[C@H](c2ccsc2)[NH+](C)C)c(=O)[nH]1 ZINC000298374065 563353396 /nfs/dbraw/zinc/35/33/96/563353396.db2.gz OQTAUFAQPGZPNZ-CQSZACIVSA-N 1 0 380.539 2.626 20 0 GFADRO C[C@H]([NH3+])[C@H](Cc1ccccc1)NCC(=O)Nc1cccc(Br)c1 ZINC000423051132 563353722 /nfs/dbraw/zinc/35/37/22/563353722.db2.gz ZWMQLYUQOFYUTF-GUYCJALGSA-N 1 0 376.298 2.936 20 0 GFADRO C[C@H]1CC[NH2+][C@H](C(=O)N2CCN(C(=O)c3c(Cl)cccc3Cl)CC2)C1 ZINC000423065581 563354162 /nfs/dbraw/zinc/35/41/62/563354162.db2.gz UWLHEZAKISUGLU-WFASDCNBSA-N 1 0 384.307 2.666 20 0 GFADRO C[N@@H+]1CC[C@H](CNC(=O)Cc2ccc([S@](C)=O)cc2)[C@H]1c1cccs1 ZINC000373901277 563354953 /nfs/dbraw/zinc/35/49/53/563354953.db2.gz ZNVYZGSZAABXCK-LROSEOONSA-N 1 0 376.547 2.837 20 0 GFADRO C[NH+](C)C1CCN(C(=O)C2(c3cccc(Br)c3)CC(=O)C2)CC1 ZINC000373913971 563355414 /nfs/dbraw/zinc/35/54/14/563355414.db2.gz SZTPFQJIHNRBOI-UHFFFAOYSA-N 1 0 379.298 2.602 20 0 GFADRO CCN(Cc1cccc(Br)c1)C(=O)C(=O)N(C)CC[C@@H]([NH3+])C(C)C ZINC000423108490 563355336 /nfs/dbraw/zinc/35/53/36/563355336.db2.gz SZMFIIAGINDNJT-MRXNPFEDSA-N 1 0 398.345 2.629 20 0 GFADRO C[C@]1(C[NH3+])CCN(C(=O)C(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000423097329 563355508 /nfs/dbraw/zinc/35/55/08/563355508.db2.gz QSHPGMSGGHIEDR-CRAIPNDOSA-N 1 0 384.307 2.854 20 0 GFADRO C[C@@H]1C[N@@H+](C2CCN(C(=O)c3cc(Br)ccc3F)CC2)CCO1 ZINC000373947661 563355965 /nfs/dbraw/zinc/35/59/65/563355965.db2.gz VBZGOFOJWFQYRE-GFCCVEGCSA-N 1 0 385.277 2.914 20 0 GFADRO CCCS(=O)(=O)Nc1cc(NC(=O)[C@H](C(C)C)[C@@H](C)[NH3+])c(F)cc1F ZINC000423126490 563355973 /nfs/dbraw/zinc/35/59/73/563355973.db2.gz IVXRMHKIBANTMX-MEBBXXQBSA-N 1 0 377.457 2.674 20 0 GFADRO [NH3+][C@H](C(=O)N1CCC(C(=O)Nc2ccccc2Br)CC1)C1CCC1 ZINC000423123924 563356055 /nfs/dbraw/zinc/35/60/55/563356055.db2.gz FQIZNJQGCGYIHH-INIZCTEOSA-N 1 0 394.313 2.754 20 0 GFADRO Brc1cccc2[nH]cc(CC[NH2+][C@H](C3CC3)[C@@H]3CNCCO3)c21 ZINC000423121187 563356365 /nfs/dbraw/zinc/35/63/65/563356365.db2.gz IDZZYZGWSOLTAF-FUHWJXTLSA-N 1 0 378.314 2.830 20 0 GFADRO C[C@@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000423116528 563356456 /nfs/dbraw/zinc/35/64/56/563356456.db2.gz QFJVWNAEZDNBTH-FPMFFAJLSA-N 1 0 384.307 2.866 20 0 GFADRO COc1ccc(CNC(=O)c2cnn([C@H]3CCC[NH2+]C3)c2)cc1Br ZINC000423143777 563357126 /nfs/dbraw/zinc/35/71/26/563357126.db2.gz XWEWYXPBTNMVIB-AWEZNQCLSA-N 1 0 393.285 2.509 20 0 GFADRO CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000423175525 563358843 /nfs/dbraw/zinc/35/88/43/563358843.db2.gz DWVNWMKKYCMXFP-ZENOOKHLSA-N 1 0 384.307 2.538 20 0 GFADRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(CS(=O)(=O)NC(C)C)cc2)[C@H]1SC ZINC000298569653 563360488 /nfs/dbraw/zinc/36/04/88/563360488.db2.gz WWEKZIWSESJQES-RCCFBDPRSA-N 1 0 386.583 2.513 20 0 GFADRO CC[C@H]([NH2+]CC[S@@](=O)C(C)(C)C)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000280915074 563361007 /nfs/dbraw/zinc/36/10/07/563361007.db2.gz QRXHJNDTXYEOBD-LFVRLGFBSA-N 1 0 394.990 2.836 20 0 GFADRO [NH3+][C@H]1C[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1ccc(Cl)c(Br)c1 ZINC000374087283 563361213 /nfs/dbraw/zinc/36/12/13/563361213.db2.gz BPVUHSCHPIQSRC-ILWJIGKKSA-N 1 0 379.707 2.745 20 0 GFADRO CN1CC[NH2+]C[C@H]1CN[C@@H](c1ccc(Br)o1)c1ccc(F)cc1 ZINC000423521481 563362171 /nfs/dbraw/zinc/36/21/71/563362171.db2.gz QTUVMYWDRPKVIX-WMLDXEAASA-N 1 0 382.277 2.764 20 0 GFADRO C[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC(c2cccc(Cl)c2Cl)CC1 ZINC000423604768 563362184 /nfs/dbraw/zinc/36/21/84/563362184.db2.gz IXXSQXCELIREDW-LBPRGKRZSA-N 1 0 384.307 2.520 20 0 GFADRO C[C@@H]1CN(C(=O)C(=O)N2CCc3cc(Cl)cc(Cl)c3[C@H]2C)CC[C@H]1[NH3+] ZINC000423570770 563362196 /nfs/dbraw/zinc/36/21/96/563362196.db2.gz XCJHWFAHOMEPLR-UEKVPHQBSA-N 1 0 384.307 2.635 20 0 GFADRO Cn1ncc(Br)c1C(=O)N1C[C@H]2CCC[N@@H+]2Cc2ccccc21 ZINC000298646614 563362773 /nfs/dbraw/zinc/36/27/73/563362773.db2.gz WFFKFDPXPPHZPJ-CYBMUJFWSA-N 1 0 375.270 2.807 20 0 GFADRO C[C@H]([NH2+]C[C@H]1CCn2ncc(C(N)=O)c2C1)c1cc(Br)cs1 ZINC000280990140 563363032 /nfs/dbraw/zinc/36/30/32/563363032.db2.gz MSBCAYFNBIAFAQ-UWVGGRQHSA-N 1 0 383.315 2.719 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)Nc1ccc(NS(C)(=O)=O)cc1)c1ccsc1 ZINC000298667330 563363478 /nfs/dbraw/zinc/36/34/78/563363478.db2.gz RGHKWVHSEWIGMY-OAHLLOKOSA-N 1 0 382.511 2.544 20 0 GFADRO O=C(COC1CC[NH2+]CC1)N1CCC(c2cccc(Br)c2)CC1 ZINC000423855118 563364289 /nfs/dbraw/zinc/36/42/89/563364289.db2.gz YGFBQGADAREBRZ-UHFFFAOYSA-N 1 0 381.314 2.924 20 0 GFADRO COC(C[N@H+](CCCO)CCC(=O)Nc1cc(Cl)ccc1Cl)OC ZINC000298784342 563365984 /nfs/dbraw/zinc/36/59/84/563365984.db2.gz DFTVUIIVDXGFCH-UHFFFAOYSA-N 1 0 379.284 2.625 20 0 GFADRO O=C(Cc1cccc(I)c1)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000423976870 563366403 /nfs/dbraw/zinc/36/64/03/563366403.db2.gz PLBWIAKJTWFSGS-GOEBONIOSA-N 1 0 398.288 2.824 20 0 GFADRO O=C([C@@H]1COc2ccc(Br)cc21)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000423981490 563366423 /nfs/dbraw/zinc/36/64/23/563366423.db2.gz TVDBCCDDAZLRLI-MAZHCROVSA-N 1 0 379.298 2.916 20 0 GFADRO [NH3+]CCC[C@@H](NC(=O)c1cc(I)c[nH]1)c1ccccc1 ZINC000423977492 563366484 /nfs/dbraw/zinc/36/64/84/563366484.db2.gz WACGRGZDZJPBKJ-CYBMUJFWSA-N 1 0 383.233 2.829 20 0 GFADRO C[C@@H](Cc1cccc(C(F)(F)F)c1)[NH2+]CC1CCN(S(C)(=O)=O)CC1 ZINC000281092514 563366517 /nfs/dbraw/zinc/36/65/17/563366517.db2.gz ARQLFPASQMZSHL-ZDUSSCGKSA-N 1 0 378.460 2.898 20 0 GFADRO C[NH2+]CCCN(C)C(=O)c1nn(-c2cccc(Br)c2)c2c1CCC2 ZINC000424034905 563368018 /nfs/dbraw/zinc/36/80/18/563368018.db2.gz RJRTVRBBJIGJCU-UHFFFAOYSA-N 1 0 391.313 2.805 20 0 GFADRO CCC(CC)(CO)C[NH2+][C@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000281195965 563369191 /nfs/dbraw/zinc/36/91/91/563369191.db2.gz SOBXMMONBWBKCD-LLVKDONJSA-N 1 0 393.347 2.546 20 0 GFADRO CN1CC[C@H](C[NH2+]Cc2nc(-c3ccc(Br)cc3)c[nH]2)CC1=O ZINC000424190834 563372303 /nfs/dbraw/zinc/37/23/03/563372303.db2.gz PCDDQEQXFYPPOD-LBPRGKRZSA-N 1 0 377.286 2.797 20 0 GFADRO CS(=O)(=O)CCCC[NH2+]Cc1cc(Cl)ccc1OC[C@H]1CCCO1 ZINC000424173750 563372404 /nfs/dbraw/zinc/37/24/04/563372404.db2.gz QCDTZSFRQYXWMA-MRXNPFEDSA-N 1 0 375.918 2.812 20 0 GFADRO C[NH+](C)C1(CNC(=O)C(C)(C)c2ccccc2Br)CCOCC1 ZINC000281324205 563373265 /nfs/dbraw/zinc/37/32/65/563373265.db2.gz RMRQVRCBKWRSOQ-UHFFFAOYSA-N 1 0 383.330 2.954 20 0 GFADRO CN1C(=O)CC[C@@H]([NH2+]Cc2cc(Br)cc(C(F)(F)F)c2)C1=O ZINC000424214252 563374099 /nfs/dbraw/zinc/37/40/99/563374099.db2.gz XDVHAPWVZSIOOU-LLVKDONJSA-N 1 0 379.176 2.705 20 0 GFADRO COC(=O)CC1CC([NH2+]CCOc2ccc(I)cc2)C1 ZINC000424356974 563376903 /nfs/dbraw/zinc/37/69/03/563376903.db2.gz VQWDXOKJTDEJCY-UHFFFAOYSA-N 1 0 389.233 2.601 20 0 GFADRO O=S(=O)(c1ccc(C(F)(F)F)nc1)N1CCC[C@H]([NH+]2CCCCC2)C1 ZINC000374683692 563379975 /nfs/dbraw/zinc/37/99/75/563379975.db2.gz SDZNASZHXNSUSA-ZDUSSCGKSA-N 1 0 377.432 2.739 20 0 GFADRO Cn1cc([C@@H]2CN(C(=O)NCCCCc3ccc(Cl)s3)C[C@H]2[NH3+])cn1 ZINC000424473606 563380252 /nfs/dbraw/zinc/38/02/52/563380252.db2.gz HGFUCVNSHFEVLN-LSDHHAIUSA-N 1 0 381.933 2.594 20 0 GFADRO COc1c(Br)ccc(C)c1C(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000424569381 563382446 /nfs/dbraw/zinc/38/24/46/563382446.db2.gz UWMNUTGCZOOIEK-CQSZACIVSA-N 1 0 399.329 2.853 20 0 GFADRO CS(=O)(=O)N1CC[C@H](C[N@@H+]2CCC[C@@H](COc3ccccc3Cl)C2)C1 ZINC000374868720 563384110 /nfs/dbraw/zinc/38/41/10/563384110.db2.gz NCFISJRUJBHHBN-HZPDHXFCSA-N 1 0 386.945 2.712 20 0 GFADRO COc1cc(Br)c(CN2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)cc1O ZINC000374890798 563385118 /nfs/dbraw/zinc/38/51/18/563385118.db2.gz FAFSOAWQTCVQDJ-UKPHBRMFSA-N 1 0 399.329 2.847 20 0 GFADRO CCO[C@H](CC[NH+](C)C)CNC(=O)c1c(C)ccc(Br)c1OC ZINC000424717395 563388770 /nfs/dbraw/zinc/38/87/70/563388770.db2.gz PNHBZCMGVHNKMN-CYBMUJFWSA-N 1 0 387.318 2.853 20 0 GFADRO CC(C)[NH2+]CC(=O)Nc1ccc(Br)c(I)c1 ZINC000300937247 563391488 /nfs/dbraw/zinc/39/14/88/563391488.db2.gz JKSPNWJNOBKOJY-UHFFFAOYSA-N 1 0 397.054 2.990 20 0 GFADRO CC[C@H]1CN(S(=O)(=O)c2ccc(Cl)c(Br)c2)CC[C@H]1[NH3+] ZINC000300208151 563391885 /nfs/dbraw/zinc/39/18/85/563391885.db2.gz WXIDBPXNPRLAEX-TVQRCGJNSA-N 1 0 381.723 2.850 20 0 GFADRO Cc1nc2ccc(Br)cn2c1C(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000281969476 563392467 /nfs/dbraw/zinc/39/24/67/563392467.db2.gz ULYMXSDXZJVRPT-UHFFFAOYSA-N 1 0 379.302 2.962 20 0 GFADRO Cn1ncc(NCC2CC[NH+](Cc3cccs3)CC2)c(Br)c1=O ZINC000301222435 563396380 /nfs/dbraw/zinc/39/63/80/563396380.db2.gz CJAMIARCKPOZJZ-UHFFFAOYSA-N 1 0 397.342 2.928 20 0 GFADRO CNC(=O)CN1CCCN(C(=O)N[C@H](C)c2cc(Cl)ccc2Cl)CC1 ZINC000375310941 563398790 /nfs/dbraw/zinc/39/87/90/563398790.db2.gz UOGRYNFNYUJAJM-GFCCVEGCSA-N 1 0 387.311 2.518 20 0 GFADRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1c1cnn(C)c(=O)c1Br ZINC000301348723 563400576 /nfs/dbraw/zinc/40/05/76/563400576.db2.gz KOXDIIMXTGMIHS-AWEZNQCLSA-N 1 0 391.313 2.644 20 0 GFADRO C[N@@H+]1C[C@@H]2CCCN(C(=O)c3ccc(F)cc3I)[C@@H]2C1 ZINC000425055688 563402864 /nfs/dbraw/zinc/40/28/64/563402864.db2.gz IEOUIRACFQLNEE-IINYFYTJSA-N 1 0 388.224 2.597 20 0 GFADRO Cc1cn2c(n1)CC[C@H]([NH2+][C@H]1CCN(c3cccc(Br)c3)C1=O)C2 ZINC000375411881 563404181 /nfs/dbraw/zinc/40/41/81/563404181.db2.gz AEIFTEQGUXMPLX-HOCLYGCPSA-N 1 0 389.297 2.664 20 0 GFADRO CN(CC[NH+](C)C)c1ccc(Br)cc1NC(=O)[C@H]1CCC[C@H](O)C1 ZINC000425098984 563404228 /nfs/dbraw/zinc/40/42/28/563404228.db2.gz NIWFDCIYUSSVGG-ZFWWWQNUSA-N 1 0 398.345 2.937 20 0 GFADRO CN(CC[NH+](C)C)c1ccc(Br)cc1NC(=O)[C@@H](O)C1CCC1 ZINC000425096790 563404239 /nfs/dbraw/zinc/40/42/39/563404239.db2.gz GBFNXKRQZUXCPX-INIZCTEOSA-N 1 0 384.318 2.546 20 0 GFADRO COc1cc(C(=O)Nc2cc(Br)ccc2N(C)CC[NH+](C)C)on1 ZINC000425097245 563404522 /nfs/dbraw/zinc/40/45/22/563404522.db2.gz HLTCECVAQSOYOG-UHFFFAOYSA-N 1 0 397.273 2.696 20 0 GFADRO Cn1nc(Br)cc1C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000375430268 563405044 /nfs/dbraw/zinc/40/50/44/563405044.db2.gz XZZFYMFRRWCDNL-OAHLLOKOSA-N 1 0 391.313 2.825 20 0 GFADRO C[C@H]([NH2+]CC1(OCCO)CCOCC1)c1ccc(Br)cc1F ZINC000282399959 563409968 /nfs/dbraw/zinc/40/99/68/563409968.db2.gz BUXIMVYUURPMLA-LBPRGKRZSA-N 1 0 376.266 2.797 20 0 GFADRO CC1(C)CN=C(N2CCN(c3ccc(S(=O)(=O)C(F)F)cc3)CC2)S1 ZINC000301755971 563411607 /nfs/dbraw/zinc/41/16/07/563411607.db2.gz XUORRFBOCQMWPI-UHFFFAOYSA-N 1 0 389.493 2.686 20 0 GFADRO COc1cc(Cl)c(S(=O)(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)cc1Cl ZINC000425216232 563412120 /nfs/dbraw/zinc/41/21/20/563412120.db2.gz PZWZJTZBKHNYHA-GXFFZTMASA-N 1 0 379.309 2.717 20 0 GFADRO COc1cc2[nH+]ccc(N(C)CCN3CCOCC3)c2cc1Br ZINC000425228209 563413521 /nfs/dbraw/zinc/41/35/21/563413521.db2.gz PYXOBIIEMIBWIN-UHFFFAOYSA-N 1 0 380.286 2.774 20 0 GFADRO COc1cc2[nH+]ccc(NC[C@@H](O)C3CCOCC3)c2cc1Br ZINC000425238276 563414154 /nfs/dbraw/zinc/41/41/54/563414154.db2.gz URZDEYZNRGCYEP-MRXNPFEDSA-N 1 0 381.270 2.627 20 0 GFADRO COC(=O)c1cnc([C@H](C)[NH2+]C[C@@H](C)c2ccc(S(C)(=O)=O)cc2)s1 ZINC000425349124 563418657 /nfs/dbraw/zinc/41/86/57/563418657.db2.gz FWMFBRQLKBPJMY-NEPJUHHUSA-N 1 0 382.507 2.788 20 0 GFADRO CNC(=O)[C@@H]1CN(c2c(C)c(C)[nH+]c3ccc(Br)cc32)CCO1 ZINC000302033626 563418769 /nfs/dbraw/zinc/41/87/69/563418769.db2.gz DFPFOGUPCVJRCP-HNNXBMFYSA-N 1 0 378.270 2.565 20 0 GFADRO CC(C)[NH+]1CCN([C@H]2CCN(C(=O)c3sccc3Br)C2)CC1 ZINC000375879262 563421883 /nfs/dbraw/zinc/42/18/83/563421883.db2.gz XWGJDJCFNHNTQU-ZDUSSCGKSA-N 1 0 386.359 2.751 20 0 GFADRO OCCOC1(C[NH2+][C@@H]2CCc3c2cc(Br)cc3F)CCOCC1 ZINC000282782404 563424447 /nfs/dbraw/zinc/42/44/47/563424447.db2.gz PRTRZZODRKNTCN-MRXNPFEDSA-N 1 0 388.277 2.723 20 0 GFADRO COc1ccc([C@H](C)[NH2+][C@H]2CCN(c3ccn(C)n3)C2=O)cc1Br ZINC000375958337 563425034 /nfs/dbraw/zinc/42/50/34/563425034.db2.gz CAMJNCGYVLXFDL-FZMZJTMJSA-N 1 0 393.285 2.647 20 0 GFADRO CCN(C)C(=O)CC[N@@H+]1C[C@H](C(=O)OC)[C@@H](c2ccc(Br)cc2)C1 ZINC000425519257 563426330 /nfs/dbraw/zinc/42/63/30/563426330.db2.gz OKBAQJFGUZGBMV-CVEARBPZSA-N 1 0 397.313 2.506 20 0 GFADRO CC[NH+]1CCC(NC(=O)C(=O)Nc2cccc(Br)c2Cl)CC1 ZINC000282826466 563426458 /nfs/dbraw/zinc/42/64/58/563426458.db2.gz JIZLIUIOXDXEEK-UHFFFAOYSA-N 1 0 388.693 2.642 20 0 GFADRO [NH3+][C@H]1C[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1c(Cl)cccc1Br ZINC000376122917 563430867 /nfs/dbraw/zinc/43/08/67/563430867.db2.gz NCOWRRYGLOXXEA-ILWJIGKKSA-N 1 0 379.707 2.745 20 0 GFADRO O=C(Nc1cnc2c(Br)cccn12)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000425676152 563431403 /nfs/dbraw/zinc/43/14/03/563431403.db2.gz SQFMOFWEPKSLSW-OLZOCXBDSA-N 1 0 378.274 2.845 20 0 GFADRO O=S(=O)(CCCC(F)(F)F)N[C@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000376153996 563431984 /nfs/dbraw/zinc/43/19/84/563431984.db2.gz BGZOCVAZXSZPMY-RISCZKNCSA-N 1 0 386.386 2.672 20 0 GFADRO C[C@@H](Oc1ccc(F)cc1Br)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000303046921 563432388 /nfs/dbraw/zinc/43/23/88/563432388.db2.gz UJVRTZJDYKOTFT-LLVKDONJSA-N 1 0 399.264 2.752 20 0 GFADRO C[NH+]1CCN(C[C@H]2CCCN(c3nc(C(Cl)(Cl)Cl)ns3)C2)CC1 ZINC000376184523 563433031 /nfs/dbraw/zinc/43/30/31/563433031.db2.gz BJBHXOFIPPPPJJ-LLVKDONJSA-N 1 0 398.791 2.829 20 0 GFADRO O=C([C@@H]1C[C@@H]1c1cccc(Br)c1)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000376225908 563433906 /nfs/dbraw/zinc/43/39/06/563433906.db2.gz LLASDZFHXSDTIN-BDXSIMOUSA-N 1 0 393.325 2.610 20 0 GFADRO COc1c(Br)cc(C[NH2+][C@@H]2CC(=O)N(C)C2)cc1Br ZINC000312123926 563435716 /nfs/dbraw/zinc/43/57/16/563435716.db2.gz XTJZDADIULGVLA-SECBINFHSA-N 1 0 392.091 2.541 20 0 GFADRO Cc1ccc(Br)cc1CN1C(=O)N[C@@]2(CCCC[C@@H]2C[NH3+])C1=O ZINC000313751880 563438446 /nfs/dbraw/zinc/43/84/46/563438446.db2.gz FYVAEKRGMUYCRE-CXAGYDPISA-N 1 0 380.286 2.697 20 0 GFADRO Cc1nc(Cl)c(Cl)cc1C(=O)NC[C@@]1(N2CCOCC2)CCSC1 ZINC000376343496 563438488 /nfs/dbraw/zinc/43/84/88/563438488.db2.gz IFUYVAVTEFCANU-INIZCTEOSA-N 1 0 390.336 2.635 20 0 GFADRO CNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(c2ccc(Br)c(C)c2)CC1 ZINC000425933209 563440514 /nfs/dbraw/zinc/44/05/14/563440514.db2.gz YEHAXXGZNCBVDP-GFCCVEGCSA-N 1 0 382.302 2.781 20 0 GFADRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)COc1ccc(C=O)cc1Br ZINC000376444153 563442384 /nfs/dbraw/zinc/44/23/84/563442384.db2.gz XLAQMCNAMIIBIF-XJKSGUPXSA-N 1 0 395.297 2.726 20 0 GFADRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)NCc2ccc(Cl)cc2Cl)C1 ZINC000283375135 563443495 /nfs/dbraw/zinc/44/34/95/563443495.db2.gz QSETYKXYYNVBAS-CYBMUJFWSA-N 1 0 386.323 2.846 20 0 GFADRO C[N@@H+]1CCC[C@H]2CN(S(=O)(=O)c3ccc(Br)c(F)c3)CC[C@H]21 ZINC000317841679 563443496 /nfs/dbraw/zinc/44/34/96/563443496.db2.gz RJQGZLHPZZQCOG-XHDPSFHLSA-N 1 0 391.306 2.693 20 0 GFADRO C[C@@H]1[C@@H](NC(=O)N[C@H]2CCN(c3cccc(Br)c3)C2)CCC[N@@H+]1C ZINC000426215222 563447098 /nfs/dbraw/zinc/44/70/98/563447098.db2.gz RCMGKUGTQBLFQR-KMFMINBZSA-N 1 0 395.345 2.810 20 0 GFADRO C[C@@H]1[C@@H](NC(=O)N[C@@H]2CCN(c3cccc(Br)c3)C2)CCC[N@@H+]1C ZINC000426215224 563447158 /nfs/dbraw/zinc/44/71/58/563447158.db2.gz RCMGKUGTQBLFQR-UNEWFSDZSA-N 1 0 395.345 2.810 20 0 GFADRO CN1CCN(S(=O)(=O)c2cncc(Br)c2)[C@@H](c2ccccc2)C1 ZINC000321203367 563447717 /nfs/dbraw/zinc/44/77/17/563447717.db2.gz WOHKLBKSCOWDFA-MRXNPFEDSA-N 1 0 396.310 2.522 20 0 GFADRO Cc1cc(NC(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc(C)c1Br ZINC000426312992 563448673 /nfs/dbraw/zinc/44/86/73/563448673.db2.gz KYULBJXOGNIUOI-QWHCGFSZSA-N 1 0 382.302 2.603 20 0 GFADRO [NH3+]CCCOC1CCN(Cc2cc3c(cc2Br)OCCO3)CC1 ZINC000321593441 563448699 /nfs/dbraw/zinc/44/86/99/563448699.db2.gz UQCPTARCVLPSCR-UHFFFAOYSA-N 1 0 385.302 2.550 20 0 GFADRO COC(=O)c1ccc(C[NH2+][C@H](CO)Cc2ccccc2)c(Br)c1 ZINC000323230997 563451021 /nfs/dbraw/zinc/45/10/21/563451021.db2.gz XWWUCVZZGYJKNG-INIZCTEOSA-N 1 0 378.266 2.929 20 0 GFADRO COc1ccc(S(=O)(=O)N2CCC[C@]3(CC[NH2+]C3)C2)c(Cl)c1Cl ZINC000376758095 563453579 /nfs/dbraw/zinc/45/35/79/563453579.db2.gz ZYXXMNRKYSFTIA-OAHLLOKOSA-N 1 0 379.309 2.766 20 0 GFADRO COCC1(CNS(=O)(=O)c2c(C)c(Cl)cc(C)c2Cl)CC[NH2+]CC1 ZINC000326582271 563455041 /nfs/dbraw/zinc/45/50/41/563455041.db2.gz BKFOUFHMAUQHAK-UHFFFAOYSA-N 1 0 395.352 2.905 20 0 GFADRO O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000327400924 563457893 /nfs/dbraw/zinc/45/78/93/563457893.db2.gz KFDYTZCZCJRCDC-OAHLLOKOSA-N 1 0 378.416 2.738 20 0 GFADRO CCS(=O)(=O)c1ccc([C@@H](C)[NH2+]C[C@H](O)COCc2cccs2)cc1 ZINC000283993050 563461101 /nfs/dbraw/zinc/46/11/01/563461101.db2.gz DFLMBCPIYRJJNM-ZBFHGGJFSA-N 1 0 383.535 2.770 20 0 GFADRO CCn1cc([C@@H]2NC(=O)CC[C@H]2[NH2+][C@@H](C)Cn2cc(Br)cn2)cn1 ZINC000328632288 563461568 /nfs/dbraw/zinc/46/15/68/563461568.db2.gz LIFVECVNDNPFHW-PEYYIBSZSA-N 1 0 395.305 2.700 20 0 GFADRO CS(=O)(=O)CCOCC[NH2+][C@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000284093586 563463647 /nfs/dbraw/zinc/46/36/47/563463647.db2.gz BNEIVARFAGXCOZ-HOTGVXAUSA-N 1 0 379.444 2.992 20 0 GFADRO Cc1ccc(S(=O)(=O)N2CCC(CC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)s1 ZINC000427277439 563464476 /nfs/dbraw/zinc/46/44/76/563464476.db2.gz RLYLPYMRWAETCS-HUUCEWRRSA-N 1 0 386.583 2.957 20 0 GFADRO CN(C)c1ccc(S(=O)(=O)NC[C@@H]2CC[N@H+](C)[C@@H]2c2cccs2)cc1 ZINC000377208519 563466444 /nfs/dbraw/zinc/46/64/44/563466444.db2.gz KCGDWNITPIEXGF-KSSFIOAISA-N 1 0 379.551 2.785 20 0 GFADRO CN(C)Cc1cc(NC(=O)[C@@H]2COCCN2CC(F)(F)F)ccc1Cl ZINC000377207511 563466765 /nfs/dbraw/zinc/46/67/65/563466765.db2.gz KTSQURSVLPCYHR-AWEZNQCLSA-N 1 0 379.810 2.603 20 0 GFADRO O=C(c1ccc2nccn2c1)N(CCO)Cc1cc(Br)cs1 ZINC000427553672 563469506 /nfs/dbraw/zinc/46/95/06/563469506.db2.gz CPXNPMZGXMBPOM-UHFFFAOYSA-N 1 0 380.267 2.793 20 0 GFADRO O=C(NCC1=CC[NH2+]CC1)c1cc(I)ccc1Cl ZINC000427615120 563470727 /nfs/dbraw/zinc/47/07/27/563470727.db2.gz LFSAJMYQXMHCKS-UHFFFAOYSA-N 1 0 376.625 2.594 20 0 GFADRO COCCC[N@H+](C)CCNC(=O)c1cc(Cl)cc(F)c1Br ZINC000284323068 563470750 /nfs/dbraw/zinc/47/07/50/563470750.db2.gz KXCOEGRBYWDGJE-UHFFFAOYSA-N 1 0 381.673 2.940 20 0 GFADRO COc1ccc(Br)cc1C(=O)CCC(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000427623939 563470899 /nfs/dbraw/zinc/47/08/99/563470899.db2.gz YBYGPRBIDZWQBQ-FZMZJTMJSA-N 1 0 383.286 2.535 20 0 GFADRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)S(=O)(=O)CCC(F)(F)F ZINC000284332898 563471046 /nfs/dbraw/zinc/47/10/46/563471046.db2.gz OYDSIYASGNUQGK-UHFFFAOYSA-N 1 0 379.448 2.902 20 0 GFADRO Fc1ccc(C[NH2+][C@H]2CCN(CCN3CCOCC3)C2)c(Cl)c1Cl ZINC000377390743 563473165 /nfs/dbraw/zinc/47/31/65/563473165.db2.gz KJHUNGKPAUTAIO-AWEZNQCLSA-N 1 0 376.303 2.629 20 0 GFADRO CCn1cc([C@@H](C)[NH2+]CC(=O)Nc2ccc(I)cc2)cn1 ZINC000284387297 563473289 /nfs/dbraw/zinc/47/32/89/563473289.db2.gz PBKXZXIJEFKNDK-LLVKDONJSA-N 1 0 398.248 2.797 20 0 GFADRO O=C(C[NH2+][C@@H](c1ccc(Br)cc1)C1CCC1)N1CCNC(=O)C1 ZINC000329257697 563476936 /nfs/dbraw/zinc/47/69/36/563476936.db2.gz DCYGFAQYYWXVMA-QGZVFWFLSA-N 1 0 380.286 2.679 20 0 GFADRO Cc1ccc(C[NH2+][C@@H]2CCC(=O)N(C)[C@H]2c2ccnn2C)c(Br)c1 ZINC000284480412 563477144 /nfs/dbraw/zinc/47/71/44/563477144.db2.gz IXYDWWIVGNQFHV-CRAIPNDOSA-N 1 0 391.313 2.943 20 0 GFADRO CS(=O)(=O)c1cc(C(=O)N2CCC[C@]3(CC[NH2+]C3)C2)c(Cl)cc1Cl ZINC000377525248 563477523 /nfs/dbraw/zinc/47/75/23/563477523.db2.gz QDKYNCAXBJSTKG-MRXNPFEDSA-N 1 0 391.320 2.613 20 0 GFADRO C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1CSc2ccc(Br)cc21 ZINC000428191256 563484748 /nfs/dbraw/zinc/48/47/48/563484748.db2.gz JPRJQTZZUWDARK-BXUZGUMPSA-N 1 0 385.327 2.680 20 0 GFADRO O=C(CC[N@H+]1CCOC[C@@H]1[C@H]1CCC[C@@H]1O)Nc1cccc(Br)c1 ZINC000284674485 563485051 /nfs/dbraw/zinc/48/50/51/563485051.db2.gz DXEKSRSDBMILIY-ZACQAIPSSA-N 1 0 397.313 2.640 20 0 GFADRO C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1NC(=O)Cc1cccc(Br)c1 ZINC000377738184 563485112 /nfs/dbraw/zinc/48/51/12/563485112.db2.gz GSXAATAGJHNNKT-JLSDUUJJSA-N 1 0 395.341 2.997 20 0 GFADRO CC[C@H](CNC(=O)C1(C[NH3+])CCOCC1)Cc1cccc(Br)c1 ZINC000284682209 563485965 /nfs/dbraw/zinc/48/59/65/563485965.db2.gz RFVIGLDOUYXYBI-AWEZNQCLSA-N 1 0 383.330 2.890 20 0 GFADRO Cn1nccc1[C@H]1[C@H]([NH2+]Cc2cc(F)ccc2Br)CCC(=O)N1C ZINC000284682931 563486267 /nfs/dbraw/zinc/48/62/67/563486267.db2.gz XJZPHSXIURSASE-RHSMWYFYSA-N 1 0 395.276 2.773 20 0 GFADRO O=C(NCCCCC[NH+]1CCCCC1)C(=O)Nc1cccc(Br)n1 ZINC000284762114 563489506 /nfs/dbraw/zinc/48/95/06/563489506.db2.gz MIBMUGZWAULJAA-UHFFFAOYSA-N 1 0 397.317 2.555 20 0 GFADRO C[NH2+][C@H]1CCN(C(=O)c2ccc(NC(=O)CSc3cccs3)cc2)C1 ZINC000428413247 563491303 /nfs/dbraw/zinc/49/13/03/563491303.db2.gz YPGVXXAFCKHVGL-HNNXBMFYSA-N 1 0 375.519 2.913 20 0 GFADRO NC(=O)c1ncc(Br)cc1NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000329972794 563492411 /nfs/dbraw/zinc/49/24/11/563492411.db2.gz ZGFPDBBSIYZITG-LLVKDONJSA-N 1 0 383.290 2.640 20 0 GFADRO COC(=O)c1cc(C[NH2+]C[C@H](CO)Cc2ccc(Br)cc2)c[nH]1 ZINC000428533434 563494883 /nfs/dbraw/zinc/49/48/83/563494883.db2.gz INFRYBXBIQJIOW-CQSZACIVSA-N 1 0 381.270 2.505 20 0 GFADRO C[C@@H](NC(=O)c1ccc(Br)cc1)C(=O)NCC1([NH3+])CCCCCC1 ZINC000428562599 563495367 /nfs/dbraw/zinc/49/53/67/563495367.db2.gz GIBIZEJGRRVBLW-CYBMUJFWSA-N 1 0 396.329 2.735 20 0 GFADRO Cc1cc(I)cc(C(=O)N2CCn3cncc3C2)c1C ZINC000378109085 563496105 /nfs/dbraw/zinc/49/61/05/563496105.db2.gz OGEQNSCZHCEMAS-UHFFFAOYSA-N 1 0 381.217 2.761 20 0 GFADRO O=C(c1cc2c(c(Br)c1)OCO2)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000378225428 563499129 /nfs/dbraw/zinc/49/91/29/563499129.db2.gz JXBRQCOUAOLCOV-BXUZGUMPSA-N 1 0 381.270 2.782 20 0 GFADRO [NH3+]C1C[C@H]2CCC[C@@H](C1)N2S(=O)(=O)c1cc(Br)cnc1Cl ZINC000378255558 563500363 /nfs/dbraw/zinc/50/03/63/563500363.db2.gz XTBZSTXFFAMQQB-FGWVZKOKSA-N 1 0 394.722 2.530 20 0 GFADRO C[C@H]1CN(C(=O)c2cc(Br)ccc2F)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000378313184 563501845 /nfs/dbraw/zinc/50/18/45/563501845.db2.gz JMLRTBBSVGCVBZ-SUMWQHHRSA-N 1 0 398.320 2.686 20 0 GFADRO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cnnn1-c1c(Cl)cccc1Cl ZINC000330350336 563502254 /nfs/dbraw/zinc/50/22/54/563502254.db2.gz KYGNVYWMTLRYAP-NWDGAFQWSA-N 1 0 380.279 2.883 20 0 GFADRO Cc1ccc(NC(=O)CC[NH2+][C@H](CO)c2ccc(Br)cc2)nc1 ZINC000428819939 563502956 /nfs/dbraw/zinc/50/29/56/563502956.db2.gz RGLJBNQLOFPLMD-OAHLLOKOSA-N 1 0 378.270 2.804 20 0 GFADRO O=C(NCCCC[NH+]1CCOCC1)C1(c2cc(F)cc(Br)c2)CC1 ZINC000285116964 563503636 /nfs/dbraw/zinc/50/36/36/563503636.db2.gz JRYMTKHCGBXDEO-UHFFFAOYSA-N 1 0 399.304 2.848 20 0 GFADRO C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)c3ccc(Cl)s3)c2)CC1 ZINC000428904723 563504284 /nfs/dbraw/zinc/50/42/84/563504284.db2.gz IPUAOZJQIPMUFO-UHFFFAOYSA-N 1 0 377.897 2.970 20 0 GFADRO Cc1[nH]c(=O)c(Br)cc1C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000285174171 563507133 /nfs/dbraw/zinc/50/71/33/563507133.db2.gz UFZNEGVSRAGDEA-UHFFFAOYSA-N 1 0 382.302 2.949 20 0 GFADRO CC(=O)Nc1ccc(S(=O)(=O)N2C[C@H]([NH+]3CCCC3)C[C@H]2C)cc1Cl ZINC000285193864 563507626 /nfs/dbraw/zinc/50/76/26/563507626.db2.gz CNEVNSFUZMEHFR-TZMCWYRMSA-N 1 0 385.917 2.546 20 0 GFADRO O=C1CNC(=O)N1CCC[NH2+][C@H](c1cc(Cl)ccc1Cl)[C@H]1CCOC1 ZINC000378501519 563510133 /nfs/dbraw/zinc/51/01/33/563510133.db2.gz STJJWFSDEHEVRU-ZBEGNZNMSA-N 1 0 386.279 2.603 20 0 GFADRO COc1ccc(Br)cc1C(=O)CCC(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000429158188 563510896 /nfs/dbraw/zinc/51/08/96/563510896.db2.gz BZNUMXXKFWPEQT-SMDDNHRTSA-N 1 0 383.286 2.616 20 0 GFADRO CC1(C)Cc2ccc(Br)cc2[C@@H]1[NH2+]CCCN1C(=O)CNC1=O ZINC000429278640 563512993 /nfs/dbraw/zinc/51/29/93/563512993.db2.gz RGZAZVIFIVVVOD-HNNXBMFYSA-N 1 0 380.286 2.604 20 0 GFADRO CN(C)S(=O)(=O)CCC[NH2+][C@@H]1c2cc(Br)ccc2CC1(C)C ZINC000429286753 563513016 /nfs/dbraw/zinc/51/30/16/563513016.db2.gz SQJUSFSJIDKEFY-OAHLLOKOSA-N 1 0 389.359 2.944 20 0 GFADRO CS(=O)(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(Br)ccc1F ZINC000330609187 563513022 /nfs/dbraw/zinc/51/30/22/563513022.db2.gz NMSLQKREUSBBQK-ZIAGYGMSSA-N 1 0 379.295 2.538 20 0 GFADRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1S(=O)(=O)c1ccc2nc(Cl)cnc2c1 ZINC000285350050 563515903 /nfs/dbraw/zinc/51/59/03/563515903.db2.gz PNBJAAYIUWKHOY-QWHCGFSZSA-N 1 0 380.901 2.531 20 0 GFADRO C[N@H+](CCCNC(=O)C1CCC1)C[C@@H](O)COc1ccc(Cl)cc1Cl ZINC000429526339 563518526 /nfs/dbraw/zinc/51/85/26/563518526.db2.gz GQARGXBFBXWLNF-OAHLLOKOSA-N 1 0 389.323 2.971 20 0 GFADRO CC(C)([NH3+])CNC(=O)c1ccccc1Sc1ccc(S(C)(=O)=O)cc1 ZINC000429634529 563520271 /nfs/dbraw/zinc/52/02/71/563520271.db2.gz JMUIKSJUPDRTFL-UHFFFAOYSA-N 1 0 378.519 2.708 20 0 GFADRO CCCNC(=O)CN1CCC([NH2+]Cc2ccc(OC)cc2Br)CC1 ZINC000285461587 563522317 /nfs/dbraw/zinc/52/23/17/563522317.db2.gz NCBQEEJHMFFBAT-UHFFFAOYSA-N 1 0 398.345 2.538 20 0 GFADRO CCOc1ccc(Br)cc1S(=O)(=O)N[C@@H]1CC[NH2+]CC1(C)C ZINC000390214121 563522721 /nfs/dbraw/zinc/52/27/21/563522721.db2.gz MACMEOBPSAKQMQ-CQSZACIVSA-N 1 0 391.331 2.514 20 0 GFADRO N#Cc1ccc(OC[C@H](O)C[NH2+]CCc2ccc(Br)cc2)cc1 ZINC000391810463 563525211 /nfs/dbraw/zinc/52/52/11/563525211.db2.gz JBPQQAGTDCCCAJ-QGZVFWFLSA-N 1 0 375.266 2.893 20 0 GFADRO C[C@@H](NS(=O)(=O)c1c(Cl)cc(Br)cc1Cl)[C@H](C)[NH3+] ZINC000394536974 563530409 /nfs/dbraw/zinc/53/04/09/563530409.db2.gz VCQVIFAGIUKBNW-NTSWFWBYSA-N 1 0 376.103 2.770 20 0 GFADRO OC1(CC[NH2+]Cc2ncc(Br)cc2Br)CCOCC1 ZINC000285642334 563529948 /nfs/dbraw/zinc/52/99/48/563529948.db2.gz XWDKXVDQDYXJOW-UHFFFAOYSA-N 1 0 394.107 2.628 20 0 GFADRO NS(=O)(=O)c1ccc(CC[NH2+]Cc2cccc(F)c2Br)cc1 ZINC000394627991 563530213 /nfs/dbraw/zinc/53/02/13/563530213.db2.gz GTSYWOOIVHKUQK-UHFFFAOYSA-N 1 0 387.274 2.568 20 0 GFADRO COc1ccc(S(=O)(=O)N[C@@H]2CCC[N@@H+](C(C)C)C2)cc1Br ZINC000331030860 563532329 /nfs/dbraw/zinc/53/23/29/563532329.db2.gz GBGSONKFLLHMNK-GFCCVEGCSA-N 1 0 391.331 2.609 20 0 GFADRO CCOC(=O)[C@@H](Cc1cc(Cl)cc(Cl)c1)NC(=O)CC1CC[NH2+]CC1 ZINC000430077960 563532660 /nfs/dbraw/zinc/53/26/60/563532660.db2.gz NJZAUCIDCYLKSE-MRXNPFEDSA-N 1 0 387.307 2.974 20 0 GFADRO CN(C(=O)C[C@H]1C[NH2+]CCO1)[C@H]1CCSc2ccc(Br)cc21 ZINC000430104450 563533292 /nfs/dbraw/zinc/53/32/92/563533292.db2.gz JDKHBHIWPBEJML-JSGCOSHPSA-N 1 0 385.327 2.823 20 0 GFADRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1cc(Br)c2c(c1)OCCO2 ZINC000285778884 563536756 /nfs/dbraw/zinc/53/67/56/563536756.db2.gz LOBAYVXDQLLPNN-OCCSQVGLSA-N 1 0 395.297 2.919 20 0 GFADRO C[C@H]1CCCN(CC(=O)N(C)Cc2ccccc2Br)[C@H]1CC[NH3+] ZINC000404268358 563537232 /nfs/dbraw/zinc/53/72/32/563537232.db2.gz IXSHPPKECIQOEL-YOEHRIQHSA-N 1 0 382.346 2.857 20 0 GFADRO C[NH+](C)C[C@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1Br ZINC000405097751 563537833 /nfs/dbraw/zinc/53/78/33/563537833.db2.gz UCPHLENXAMDSCF-GFCCVEGCSA-N 1 0 379.295 2.693 20 0 GFADRO CS(=O)(=O)N[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(F)cc1Br ZINC000331164412 563538662 /nfs/dbraw/zinc/53/86/62/563538662.db2.gz GHPJIVVGCJOJRA-UONOGXRCSA-N 1 0 379.295 2.538 20 0 GFADRO COc1cc(Br)cc(S(=O)(=O)N[C@H]2CCC[N@@H+](C(C)C)C2)c1 ZINC000331223553 563541587 /nfs/dbraw/zinc/54/15/87/563541587.db2.gz LTOYQOJJLKHXJT-ZDUSSCGKSA-N 1 0 391.331 2.609 20 0 GFADRO CC(C)(O)[C@@H]1CCC[N@@H+]1C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000331265715 563542816 /nfs/dbraw/zinc/54/28/16/563542816.db2.gz PPUIGTONXNMOMK-ZFWWWQNUSA-N 1 0 376.266 2.563 20 0 GFADRO COc1ccc(S(=O)(=O)N[C@H](C)C(C)(C)C[NH+](C)C)cc1Br ZINC000331297762 563544601 /nfs/dbraw/zinc/54/46/01/563544601.db2.gz UUPFJJKGHOBPGL-LLVKDONJSA-N 1 0 393.347 2.712 20 0 GFADRO CCOC[C@@H]([NH2+]CC(=O)Nc1ccccc1I)C(C)C ZINC000285980046 563544762 /nfs/dbraw/zinc/54/47/62/563544762.db2.gz FGFYZLNUWPALFE-CQSZACIVSA-N 1 0 390.265 2.880 20 0 GFADRO C[C@@H]1C[C@H](N2CCOCC2)C[N@@H+]1C[C@H](O)COc1cc(Cl)ccc1Cl ZINC000286021905 563545710 /nfs/dbraw/zinc/54/57/10/563545710.db2.gz PWLRFRQQLGLYNV-KBMXLJTQSA-N 1 0 389.323 2.528 20 0 GFADRO C[C@@H](C(=O)Nc1ccc(Br)cc1Br)N1CC[C@H]([NH3+])C1 ZINC000430608588 563546945 /nfs/dbraw/zinc/54/69/45/563546945.db2.gz DSBSZSBNJHVEQE-WPRPVWTQSA-N 1 0 391.107 2.572 20 0 GFADRO C[NH2+]C[C@@H]1CCCN([C@@H](C)C(=O)N(C)Cc2ccc(Br)cc2)C1 ZINC000430608621 563546951 /nfs/dbraw/zinc/54/69/51/563546951.db2.gz DYISBCFYQVRFQD-HOCLYGCPSA-N 1 0 382.346 2.727 20 0 GFADRO OC[C@H](Cc1ccc(F)cc1)[NH2+]Cc1ncc(I)s1 ZINC000286059460 563546999 /nfs/dbraw/zinc/54/69/99/563546999.db2.gz RKSXEGRIENFDDD-NSHDSACASA-N 1 0 392.237 2.580 20 0 GFADRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+][C@H](C)c2cc(C(=O)OC)cs2)cc1 ZINC000286073729 563547596 /nfs/dbraw/zinc/54/75/96/563547596.db2.gz MAAPHCAWUJBTSH-NWDGAFQWSA-N 1 0 382.507 2.855 20 0 GFADRO Cc1cc(Br)cc(C)c1N1CCC[C@H](NC(=O)N[C@H]2CC[NH2+]C2)C1 ZINC000331380526 563547997 /nfs/dbraw/zinc/54/79/97/563547997.db2.gz GIFCBXHAWTXUFD-HOTGVXAUSA-N 1 0 395.345 2.696 20 0 GFADRO CO[C@@H]1C[C@H]([NH2+][C@H](C)c2ccc(Br)c(S(N)(=O)=O)c2)C1(C)C ZINC000430712958 563548312 /nfs/dbraw/zinc/54/83/12/563548312.db2.gz IVRGEIMRGMDJLQ-BIGNPOOSSA-N 1 0 391.331 2.561 20 0 GFADRO CC[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)[C@@H](C)C[NH2+]C)CC1 ZINC000430905604 563550112 /nfs/dbraw/zinc/55/01/12/563550112.db2.gz FYFMBYXRKUNCKY-YOEHRIQHSA-N 1 0 382.346 2.900 20 0 GFADRO CC(C)(CCC[NH3+])NS(=O)(=O)c1cc(Br)sc1Cl ZINC000431030576 563552339 /nfs/dbraw/zinc/55/23/39/563552339.db2.gz ORQGSARWJOTRBA-UHFFFAOYSA-N 1 0 375.741 2.960 20 0 GFADRO Cc1cc(C(=O)NC[C@@H]2CCC[N@H+]2C)nn1-c1ccc(Br)cc1 ZINC000431029825 563552394 /nfs/dbraw/zinc/55/23/94/563552394.db2.gz GZRRSYIEPYTYRH-HNNXBMFYSA-N 1 0 377.286 2.767 20 0 GFADRO Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1[NH2+][C@@H](C)Cn1cc(Br)cn1 ZINC000331583445 563554491 /nfs/dbraw/zinc/55/44/91/563554491.db2.gz XJMDYMFYXFSSIP-FSBGKCOPSA-N 1 0 382.306 2.504 20 0 GFADRO O[C@@H](COc1cccc(Br)c1)C[N@@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000431159479 563555127 /nfs/dbraw/zinc/55/51/27/563555127.db2.gz OWVKFOQQHYIEBA-CRAIPNDOSA-N 1 0 393.281 2.737 20 0 GFADRO [NH3+]CC[C@H]1CCCCN1C(=O)[C@H]1CCN(c2ccccc2Br)C1=O ZINC000286322743 563556286 /nfs/dbraw/zinc/55/62/86/563556286.db2.gz YOMCXINFRIRADS-ZIAGYGMSSA-N 1 0 394.313 2.532 20 0 GFADRO C[NH+](C)CC[C@](C)(O)CNC(=O)CCSc1ccc(Br)cc1 ZINC000431378938 563559666 /nfs/dbraw/zinc/55/96/66/563559666.db2.gz OCWBFGPDOPUPES-INIZCTEOSA-N 1 0 389.359 2.750 20 0 GFADRO COCC[N@H+](C)CCCNC(=O)[C@@H]1C[C@]12CCc1cc(Br)ccc12 ZINC000409452319 563560963 /nfs/dbraw/zinc/56/09/63/563560963.db2.gz HNJQKKSCNGYMSZ-HKUYNNGSSA-N 1 0 395.341 2.738 20 0 GFADRO O=C(NCCNc1cc[nH+]cc1)[C@@H]1C[C@@]12CCc1cc(Br)ccc12 ZINC000409482189 563562048 /nfs/dbraw/zinc/56/20/48/563562048.db2.gz FKVYCULDQHFVGF-PKOBYXMFSA-N 1 0 386.293 2.698 20 0 GFADRO O=S(=O)(NC1CC[NH+](C2CC2)CC1)c1c(F)cccc1OC(F)(F)F ZINC000286562018 563565465 /nfs/dbraw/zinc/56/54/65/563565465.db2.gz IMCLBCCUMWQYTG-UHFFFAOYSA-N 1 0 382.379 2.629 20 0 GFADRO O=C([C@@H]1C[C@@]12CCc1cc(Br)ccc12)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000409594728 563566011 /nfs/dbraw/zinc/56/60/11/563566011.db2.gz NJRQQNCWUYJMEB-HHXXYDBFSA-N 1 0 375.310 2.960 20 0 GFADRO C[C@H](NC(=O)NCC[N@H+](C)Cc1ccccc1)c1ncc(Br)cn1 ZINC000431858354 563569992 /nfs/dbraw/zinc/56/99/92/563569992.db2.gz CPUSEUGBCAMRHO-ZDUSSCGKSA-N 1 0 392.301 2.731 20 0 GFADRO CC(C)(C(=O)NCC1CC[NH+](CCO)CC1)c1ccccc1Br ZINC000409844828 563571953 /nfs/dbraw/zinc/57/19/53/563571953.db2.gz NPMWBQPLTJWNGA-UHFFFAOYSA-N 1 0 383.330 2.547 20 0 GFADRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)Nc1c(C)cc(C)cc1Br ZINC000431969551 563572108 /nfs/dbraw/zinc/57/21/08/563572108.db2.gz FOVYORGQZMSOKS-CYBMUJFWSA-N 1 0 384.318 2.851 20 0 GFADRO O=S(=O)([N-]CC1([NH+]2CCCC2)CCOCC1)c1c(Cl)ccc(F)c1F ZINC000286732969 563572494 /nfs/dbraw/zinc/57/24/94/563572494.db2.gz CHOSCESGABEXOA-UHFFFAOYSA-N 1 0 394.871 2.542 20 0 GFADRO CCCC[N@H+](C)CCNC(=O)C(=O)Nc1c(C)cc(C)cc1Br ZINC000431996550 563572810 /nfs/dbraw/zinc/57/28/10/563572810.db2.gz XOZFMGPCPPLVMA-UHFFFAOYSA-N 1 0 384.318 2.853 20 0 GFADRO CC[NH+](CC)CCN(Cc1cccs1)c1cnn(C)c(=O)c1Br ZINC000432051503 563573395 /nfs/dbraw/zinc/57/33/95/563573395.db2.gz FJHUKYHMSOCLHL-UHFFFAOYSA-N 1 0 399.358 2.953 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@H]32)c(Br)c1 ZINC000332071584 563574341 /nfs/dbraw/zinc/57/43/41/563574341.db2.gz WTAMTRYLRKAACF-DZGCQCFKSA-N 1 0 394.313 2.557 20 0 GFADRO COc1cc(NC(=O)NCC[N@H+]2CC=CCC2)cc(OC)c1Br ZINC000432344261 563581486 /nfs/dbraw/zinc/58/14/86/563581486.db2.gz CNHCKVYXSPHPCY-UHFFFAOYSA-N 1 0 384.274 2.850 20 0 GFADRO CC[C@H](NC(=O)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1)c1ccc(Cl)s1 ZINC000286999977 563582892 /nfs/dbraw/zinc/58/28/92/563582892.db2.gz LLKSLHSDHLCOBH-KBPBESRZSA-N 1 0 383.945 2.913 20 0 GFADRO O=C(Nc1c(F)cccc1Br)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000332214134 563583954 /nfs/dbraw/zinc/58/39/54/563583954.db2.gz TYWISJNCGWLGSZ-LBPRGKRZSA-N 1 0 398.276 2.614 20 0 GFADRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1CC(=O)N(C)Cc1ccccc1Br ZINC000287039274 563584957 /nfs/dbraw/zinc/58/49/57/563584957.db2.gz SUADKTCMTRICTQ-CRAIPNDOSA-N 1 0 394.357 2.966 20 0 GFADRO C[C@H]1CCN(C(=O)c2cc(=O)[nH]c3c(Br)cccc23)C[C@@H]1C[NH3+] ZINC000332224279 563585204 /nfs/dbraw/zinc/58/52/04/563585204.db2.gz NMKBMSNQLKLIJA-QWRGUYRKSA-N 1 0 378.270 2.760 20 0 GFADRO COC(=O)c1c(Br)ccc(NC(=O)NCC[N@H+]2CC=CCC2)c1C ZINC000432564202 563587137 /nfs/dbraw/zinc/58/71/37/563587137.db2.gz ZXTUYGXKGCONJT-UHFFFAOYSA-N 1 0 396.285 2.928 20 0 GFADRO COc1cccc(S(=O)(=O)CC[NH2+][C@@H](CCO)c2ccc(Cl)cc2)c1 ZINC000287109527 563587486 /nfs/dbraw/zinc/58/74/86/563587486.db2.gz YJRJTYKLWXHRLF-SFHVURJKSA-N 1 0 383.897 2.836 20 0 GFADRO C[C@@H]([NH2+]C[C@@H]1CCCSC1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000287096516 563587676 /nfs/dbraw/zinc/58/76/76/563587676.db2.gz PVIZPAJLCYSIJO-MNOVXSKESA-N 1 0 393.372 2.890 20 0 GFADRO COc1cc(Cl)c(S(=O)(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1Cl ZINC000332332718 563593571 /nfs/dbraw/zinc/59/35/71/563593571.db2.gz QPDXQCHWAHYJPI-STQMWFEESA-N 1 0 379.309 2.907 20 0 GFADRO CN(Cc1nn(C)cc1Br)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000432793094 563594001 /nfs/dbraw/zinc/59/40/01/563594001.db2.gz OCIZVYFWNFVMPD-YOEHRIQHSA-N 1 0 378.318 2.702 20 0 GFADRO O=C(Nc1cc(F)c(I)c(F)c1)N[C@@H]1CCCC[NH2+]C1 ZINC000332341030 563594145 /nfs/dbraw/zinc/59/41/45/563594145.db2.gz NNALRXSDFPHPJZ-MRVPVSSYSA-N 1 0 395.191 2.833 20 0 GFADRO C[C@@H]1CCN(C(=O)N[C@@H]2CCOc3ccc(Br)cc32)C[C@H]1C[NH3+] ZINC000332356799 563595129 /nfs/dbraw/zinc/59/51/29/563595129.db2.gz OASXPWMGACENNJ-LALPHHSUSA-N 1 0 382.302 2.899 20 0 GFADRO C[C@@H](c1ccc(Br)cc1)[NH+]1CCC([C@]2(C)NC(=O)NC2=O)CC1 ZINC000332466844 563600282 /nfs/dbraw/zinc/60/02/82/563600282.db2.gz SKIWPKWCKORYOI-GTNSWQLSSA-N 1 0 380.286 2.820 20 0 GFADRO C[C@H](O)C[N@@H+]1CCN(C(=O)NCc2nc3cc(Cl)ccc3s2)[C@H](C)C1 ZINC000287436110 563601352 /nfs/dbraw/zinc/60/13/52/563601352.db2.gz GZSDPCXBPIDQRV-NEPJUHHUSA-N 1 0 382.917 2.546 20 0 GFADRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)N1CCc2cc(Cl)c(Cl)cc2[C@H]1C ZINC000332491688 563601655 /nfs/dbraw/zinc/60/16/55/563601655.db2.gz OXYIWMBCBAXMHC-GLKRBJQHSA-N 1 0 384.307 2.553 20 0 GFADRO COC(=O)c1occc1C[NH2+]C[C@H](CO)Cc1ccc(Br)cc1 ZINC000433053816 563602084 /nfs/dbraw/zinc/60/20/84/563602084.db2.gz SBODKNCXDNAKMD-CYBMUJFWSA-N 1 0 382.254 2.770 20 0 GFADRO C[C@@H]1CN2CCCC[C@H]2CN1C(=O)C(=O)Nc1ccc(F)cc1Br ZINC000332515604 563602504 /nfs/dbraw/zinc/60/25/04/563602504.db2.gz WRYFVXPGXHSCSA-YPMHNXCESA-N 1 0 398.276 2.612 20 0 GFADRO C[C@@H](C(=O)Nc1ccc(Br)cc1)[N@@H+]1CC[C@@H](C(=O)N2CCCC2)C1 ZINC000287508392 563604459 /nfs/dbraw/zinc/60/44/59/563604459.db2.gz UJFVZLDLSVELMP-UONOGXRCSA-N 1 0 394.313 2.720 20 0 GFADRO Cc1ccc(F)c(NC(=O)C(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)c1Br ZINC000332577192 563605059 /nfs/dbraw/zinc/60/50/59/563605059.db2.gz GLPBAXVZRWIMBM-RYUDHWBXSA-N 1 0 398.276 2.530 20 0 GFADRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)Cc2cc[nH]c(=O)c2Br)C1 ZINC000332586252 563605471 /nfs/dbraw/zinc/60/54/71/563605471.db2.gz CAABUQZWQMDJIP-CHWSQXEVSA-N 1 0 384.318 2.576 20 0 GFADRO C[C@@H]1CN(C(=O)C(=O)N2CCc3c(Cl)cc(Cl)cc3[C@@H]2C)CC[C@@H]1[NH3+] ZINC000332581288 563605542 /nfs/dbraw/zinc/60/55/42/563605542.db2.gz GENPIDAGRXJMGL-GDLVEWKHSA-N 1 0 384.307 2.635 20 0 GFADRO COCC[N@H+](CC(=O)NCc1cc(Cl)ccc1OC)[C@H]1CCCSC1 ZINC000433190021 563605626 /nfs/dbraw/zinc/60/56/26/563605626.db2.gz OOZMDHDQFNIFFT-INIZCTEOSA-N 1 0 386.945 2.809 20 0 GFADRO OCC[N@H+](C[C@@H](O)COc1cc(Cl)ccc1Cl)[C@@H]1CCCSC1 ZINC000433208896 563606423 /nfs/dbraw/zinc/60/64/23/563606423.db2.gz PJLRICRADXUQST-ZIAGYGMSSA-N 1 0 380.337 2.923 20 0 GFADRO COC[C@@H]([NH2+]Cc1cnn(-c2ccc(Br)cc2)c1)[C@H]1CCCO1 ZINC000433203278 563606701 /nfs/dbraw/zinc/60/67/01/563606701.db2.gz AWEAZDIXJTXFQI-IAGOWNOFSA-N 1 0 380.286 2.918 20 0 GFADRO C[C@H]1C[N@H+](CCCNC(=O)NCc2ccc(Br)s2)CCCO1 ZINC000433294655 563608048 /nfs/dbraw/zinc/60/80/48/563608048.db2.gz NBDVDUCSBOKWOY-LBPRGKRZSA-N 1 0 390.347 2.811 20 0 GFADRO O[C@@H](C[NH2+]Cc1ccc(-c2cc[nH]n2)o1)COc1ccccc1Br ZINC000433317203 563609217 /nfs/dbraw/zinc/60/92/17/563609217.db2.gz KVSLPDIXHOOYFA-LBPRGKRZSA-N 1 0 392.253 2.962 20 0 GFADRO CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@H](Cc2ccc(Br)cc2)C1 ZINC000433322743 563609223 /nfs/dbraw/zinc/60/92/23/563609223.db2.gz RRWCTBDDMIEWDA-TZMCWYRMSA-N 1 0 382.302 2.548 20 0 GFADRO CC[NH+]1CCC(NC(=O)c2ccc(I)cc2NC)CC1 ZINC000411241333 563611502 /nfs/dbraw/zinc/61/15/02/563611502.db2.gz QCBSHFASLDRRLJ-UHFFFAOYSA-N 1 0 387.265 2.547 20 0 GFADRO CC(C)(C)OC(=O)[C@](C)(O)C[NH2+][C@H]1CCc2cc(Br)ccc2C1 ZINC000332691891 563611792 /nfs/dbraw/zinc/61/17/92/563611792.db2.gz QWAZRHTZARWLRZ-MAUKXSAKSA-N 1 0 384.314 2.989 20 0 GFADRO CS(=O)(=O)N1CCC[C@@H]([NH2+]Cc2cnc(-c3ccc(Cl)cc3)s2)C1 ZINC000332684467 563611874 /nfs/dbraw/zinc/61/18/74/563611874.db2.gz PNWLZVGFIFKLNV-CQSZACIVSA-N 1 0 385.942 2.977 20 0 GFADRO Cc1cc(Br)cc(C)c1CNC(=O)c1ncn([C@@H]2CCC[NH2+]C2)n1 ZINC000433418661 563612476 /nfs/dbraw/zinc/61/24/76/563612476.db2.gz BBUVLQJQUCEWNE-CQSZACIVSA-N 1 0 392.301 2.512 20 0 GFADRO CC[N@H+](CCO)CCNC(=O)NCc1cnc(-c2ccc(Cl)cc2)s1 ZINC000287673108 563613485 /nfs/dbraw/zinc/61/34/85/563613485.db2.gz BSGKEZSGTZWYOW-UHFFFAOYSA-N 1 0 382.917 2.577 20 0 GFADRO C[C@@H]1C[C@@H](NS(=O)(=O)c2cc(Br)sc2Cl)CC[N@@H+]1C ZINC000433659124 563617802 /nfs/dbraw/zinc/61/78/02/563617802.db2.gz JJHQJTSRHRHFJM-SFYZADRCSA-N 1 0 387.752 2.925 20 0 GFADRO O=C(Cc1ccccc1I)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000433738871 563618357 /nfs/dbraw/zinc/61/83/57/563618357.db2.gz GZOQYGKVGODTKB-HNNXBMFYSA-N 1 0 398.288 2.921 20 0 GFADRO Cc1cccc(Cl)c1S(=O)(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000333145662 563622146 /nfs/dbraw/zinc/62/21/46/563622146.db2.gz KBPLXVHWFCHQKE-DLBZAZTESA-N 1 0 386.945 2.695 20 0 GFADRO Cc1cc(CCC(=O)NC[C@H](O)C[NH+]2CCC(C)CC2)ccc1Br ZINC000433975910 563623674 /nfs/dbraw/zinc/62/36/74/563623674.db2.gz JEOAGQIWGVEGTK-KRWDZBQOSA-N 1 0 397.357 2.899 20 0 GFADRO CCn1cc([C@@H]2NC(=O)CC[C@H]2[NH2+]Cc2ccccc2Br)cn1 ZINC000433980839 563624007 /nfs/dbraw/zinc/62/40/07/563624007.db2.gz YWJGANZWWASIIN-WBVHZDCISA-N 1 0 377.286 2.775 20 0 GFADRO [NH3+][C@@H]1CCO[C@@H](C2CCN(C(=O)Cc3cc(F)ccc3Br)CC2)C1 ZINC000333237354 563625308 /nfs/dbraw/zinc/62/53/08/563625308.db2.gz DGWWCYBOTBNUTC-NVXWUHKLSA-N 1 0 399.304 2.876 20 0 GFADRO COc1cc(Br)ccc1C(=O)N1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000333264783 563625993 /nfs/dbraw/zinc/62/59/93/563625993.db2.gz JIORPJPXXOUTFF-HOCLYGCPSA-N 1 0 397.313 2.816 20 0 GFADRO O=C(Nc1nnc(-c2c(F)cccc2Cl)s1)N1CCC2(CC[NH2+]2)CC1 ZINC000333268711 563626062 /nfs/dbraw/zinc/62/60/62/563626062.db2.gz KAXRKWFDUBUPHR-UHFFFAOYSA-N 1 0 381.864 3.357 20 0 GFADRO O=C(Nc1ccc2nccnc2c1Br)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000333281036 563626909 /nfs/dbraw/zinc/62/69/09/563626909.db2.gz HPILHYDTXBBQLI-MNOVXSKESA-N 1 0 376.258 2.608 20 0 GFADRO CSc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)cc1 ZINC000411634887 563626870 /nfs/dbraw/zinc/62/68/70/563626870.db2.gz MGYIHTQOZWOADF-XJKCOSOUSA-N 1 0 379.444 2.783 20 0 GFADRO Cc1nc2cc(Br)cc(NC(=O)N3C[C@@H]4CC[NH2+]C[C@H]4C3)c2o1 ZINC000333318831 563627879 /nfs/dbraw/zinc/62/78/79/563627879.db2.gz MQZWFLYBJVPMGM-QWRGUYRKSA-N 1 0 379.258 2.972 20 0 GFADRO COCC[N@H+](CCC(=O)Nc1cccc(Br)c1)[C@@H]1CCO[C@@H]1C ZINC000411655654 563628499 /nfs/dbraw/zinc/62/84/99/563628499.db2.gz LVNHQZMRMHNAPM-CZUORRHYSA-N 1 0 385.302 2.904 20 0 GFADRO CN(C)c1cc(NC(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)ncc1Br ZINC000333359410 563628601 /nfs/dbraw/zinc/62/86/01/563628601.db2.gz SOAZMPNUHYKKIA-QWHCGFSZSA-N 1 0 396.333 2.764 20 0 GFADRO C[N@@H+]1CCC[C@H](CCNC(=O)C(=O)Nc2nc(-c3cccs3)cs2)C1 ZINC000411672047 563628899 /nfs/dbraw/zinc/62/88/99/563628899.db2.gz MRBQUKJJZPLQGL-GFCCVEGCSA-N 1 0 378.523 2.658 20 0 GFADRO C[N@@H+]1CCC[C@@H](CCNC(=O)C(=O)Nc2cc(Cl)c(Cl)cc2F)C1 ZINC000411677658 563628908 /nfs/dbraw/zinc/62/89/08/563628908.db2.gz TWSGWCNHNQGSIP-JTQLQIEISA-N 1 0 376.259 2.919 20 0 GFADRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)Nc3nnc(-c4ccc(Cl)cc4F)s3)C[C@@H]12 ZINC000333332421 563628894 /nfs/dbraw/zinc/62/88/94/563628894.db2.gz ONBZBJNDIHURJZ-XTWCZFFVSA-N 1 0 381.864 3.199 20 0 GFADRO CN(C)c1cc(NC(=O)N2CCC[C@]3(CC[NH2+]C3)C2)ncc1Br ZINC000333363355 563629237 /nfs/dbraw/zinc/62/92/37/563629237.db2.gz TYRMJNFFODAUHS-MRXNPFEDSA-N 1 0 382.306 2.518 20 0 GFADRO COC(=O)c1sc(NCc2ccncc2OCCC[NH+](C)C)nc1Cl ZINC000288113255 563629588 /nfs/dbraw/zinc/62/95/88/563629588.db2.gz BXXAKSPIVVOUDF-UHFFFAOYSA-N 1 0 384.889 2.921 20 0 GFADRO C[C@@H]1CN(C(=O)Nc2ccc(-c3ccc(Br)s3)nn2)CC[C@@H]1[NH3+] ZINC000333397010 563630822 /nfs/dbraw/zinc/63/08/22/563630822.db2.gz YFFPPYJGJGJESV-ZJUUUORDSA-N 1 0 396.314 3.169 20 0 GFADRO CSc1ccc(OC[C@H](O)C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H](CO)C2)cc1 ZINC000411716195 563631097 /nfs/dbraw/zinc/63/10/97/563631097.db2.gz FIIFZSJTALDEMD-IOASZLSFSA-N 1 0 379.444 2.641 20 0 GFADRO C[C@H]1C[C@H](N2CCOCC2)CN1C(=O)NCc1sccc1Br ZINC000288152866 563631410 /nfs/dbraw/zinc/63/14/10/563631410.db2.gz NUWSKVLHXGBQJA-RYUDHWBXSA-N 1 0 388.331 2.515 20 0 GFADRO COC(=O)C[C@](C)([NH2+]CC(=O)N(C)C(C)C)c1ccc(Br)cc1 ZINC000411728743 563631494 /nfs/dbraw/zinc/63/14/94/563631494.db2.gz UEGDUYOJLTVOFI-KRWDZBQOSA-N 1 0 385.302 2.684 20 0 GFADRO Cc1cc(NC(=O)C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)ccc1Br ZINC000434562458 563632223 /nfs/dbraw/zinc/63/22/23/563632223.db2.gz VUJORWMNOCKYNF-HNNXBMFYSA-N 1 0 394.313 2.829 20 0 GFADRO [NH3+][C@H]1CCO[C@H](C2CCN(S(=O)(=O)c3cc(Cl)sc3Cl)CC2)C1 ZINC000333478975 563634077 /nfs/dbraw/zinc/63/40/77/563634077.db2.gz BWWQMQJAPDOPNR-QWRGUYRKSA-N 1 0 399.365 2.962 20 0 GFADRO C[C@H](C(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+])c1ccc(Cl)c(Cl)c1 ZINC000434711622 563636099 /nfs/dbraw/zinc/63/60/99/563636099.db2.gz QGOPITIMNBVREG-GXTWGEPZSA-N 1 0 386.323 2.943 20 0 GFADRO [NH3+][C@H]1CCO[C@H](C2CCN(S(=O)(=O)c3cccc(Cl)c3Cl)CC2)C1 ZINC000333656991 563638526 /nfs/dbraw/zinc/63/85/26/563638526.db2.gz KWGNPLALQVOHIX-JSGCOSHPSA-N 1 0 393.336 2.900 20 0 GFADRO Brc1ccc2c(c1)[C@H]([NH2+][C@H]1CCc3nnnn3CC1)CCS2 ZINC000333667605 563638788 /nfs/dbraw/zinc/63/87/88/563638788.db2.gz CBTKGKKAHMBTGN-WCQYABFASA-N 1 0 380.315 2.967 20 0 GFADRO COc1nc(C)c(Br)cc1C(=O)N1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC000288340041 563638964 /nfs/dbraw/zinc/63/89/64/563638964.db2.gz JTZWBYQNXBEABF-YPMHNXCESA-N 1 0 382.302 2.860 20 0 GFADRO Cc1cc(S(=O)(=O)N2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)sc1Cl ZINC000333709024 563639859 /nfs/dbraw/zinc/63/98/59/563639859.db2.gz RYZRQDYZWAFVOY-TZMCWYRMSA-N 1 0 378.947 2.617 20 0 GFADRO O=C(N[C@@H]1C[C@H]1c1ccc(Br)cc1)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000333740519 563640687 /nfs/dbraw/zinc/64/06/87/563640687.db2.gz ITWXPTGKAASDMR-YRVYGCIDSA-N 1 0 378.314 2.992 20 0 GFADRO [NH3+][C@@H]1CCCO[C@H]1C1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC000333725765 563640733 /nfs/dbraw/zinc/64/07/33/563640733.db2.gz VJNIPJYYJZYXQV-CABCVRRESA-N 1 0 393.336 2.900 20 0 GFADRO [NH3+][C@H]1CCCO[C@H]1C1CCN(S(=O)(=O)c2c(Cl)ccc(F)c2F)CC1 ZINC000333754566 563641034 /nfs/dbraw/zinc/64/10/34/563641034.db2.gz ZNINODCXCJVKCW-ZFWWWQNUSA-N 1 0 394.871 2.525 20 0 GFADRO Nc1c(Br)cc(Br)cc1C[NH2+]C[C@H]1CCCC(=O)N1 ZINC000435023971 563641327 /nfs/dbraw/zinc/64/13/27/563641327.db2.gz PXWIZVPMFKYQRH-SNVBAGLBSA-N 1 0 391.107 2.552 20 0 GFADRO O=C(N[C@H]1COc2cc(F)c(Br)cc21)N1CCC2(CC[NH2+]C2)CC1 ZINC000333786452 563641948 /nfs/dbraw/zinc/64/19/48/563641948.db2.gz LTZBSUQHPGHAOK-AWEZNQCLSA-N 1 0 398.276 2.807 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)c2cc(I)c(F)cc2F)CC[N@@H+]1C ZINC000435072685 563642215 /nfs/dbraw/zinc/64/22/15/563642215.db2.gz HXKCXLHTFOENKS-BDAKNGLRSA-N 1 0 394.203 2.782 20 0 GFADRO O=C(c1cnn([C@@H]2CCC[NH2+]C2)c1)N1CCc2cc(Br)ccc21 ZINC000333803347 563642519 /nfs/dbraw/zinc/64/25/19/563642519.db2.gz IDUCIKAGPQZEJA-OAHLLOKOSA-N 1 0 375.270 2.773 20 0 GFADRO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(C(=O)Cc2ccc(Br)cc2)CC1 ZINC000333843908 563642955 /nfs/dbraw/zinc/64/29/55/563642955.db2.gz OUSYTMKDVKNTQY-SJLPKXTDSA-N 1 0 381.314 2.737 20 0 GFADRO CNc1cc(I)ccc1C(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000411990543 563643405 /nfs/dbraw/zinc/64/34/05/563643405.db2.gz XUJVHDNGFKGZMT-JTQLQIEISA-N 1 0 387.265 2.545 20 0 GFADRO CC(C)(CN1CCOCC1)[NH2+]Cc1cc2c(cc1Br)OCCCO2 ZINC000411999158 563644181 /nfs/dbraw/zinc/64/41/81/563644181.db2.gz PZRFKXJCEVZZHX-UHFFFAOYSA-N 1 0 399.329 2.811 20 0 GFADRO CC1CCN(S(=O)(=O)N(Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)CC1 ZINC000333886922 563644452 /nfs/dbraw/zinc/64/44/52/563644452.db2.gz WDKOJHVVSFOGHY-QGZVFWFLSA-N 1 0 383.583 2.669 20 0 GFADRO COC1([C@H](C)[NH2+]CC(=O)Nc2ccccc2I)CCC1 ZINC000412020392 563644526 /nfs/dbraw/zinc/64/45/26/563644526.db2.gz INSZFZSHHSBFSE-NSHDSACASA-N 1 0 388.249 2.777 20 0 GFADRO COC1([C@H](C)[NH2+]CCS(=O)(=O)c2ccc(Br)cc2)CCC1 ZINC000412018757 563645108 /nfs/dbraw/zinc/64/51/08/563645108.db2.gz GFABDJVTSZWYGG-LBPRGKRZSA-N 1 0 376.316 2.770 20 0 GFADRO C[C@@H]1[C@@H](CO)CCC[N@@H+]1CC(=O)N(C)Cc1cc(Br)cs1 ZINC000412061301 563646216 /nfs/dbraw/zinc/64/62/16/563646216.db2.gz AFHPJYFHLIPHIO-VXGBXAGGSA-N 1 0 375.332 2.562 20 0 GFADRO O=C(c1cnn(-c2cccc(Br)c2)c1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000435243188 563646872 /nfs/dbraw/zinc/64/68/72/563646872.db2.gz RKNNKFODVUATAB-INIZCTEOSA-N 1 0 375.270 2.601 20 0 GFADRO CCN(CC)C(=O)C1CCN([C@H](C(N)=O)c2ccc(Br)cc2)CC1 ZINC000435414934 563648633 /nfs/dbraw/zinc/64/86/33/563648633.db2.gz HKKQBXJRBHAEPA-INIZCTEOSA-N 1 0 396.329 2.556 20 0 GFADRO COc1cc(C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)cc(Br)c1OC ZINC000333984666 563649133 /nfs/dbraw/zinc/64/91/33/563649133.db2.gz GSDXJVIXLHOSLT-RISCZKNCSA-N 1 0 385.302 2.925 20 0 GFADRO Cc1ncsc1CN(C[C@@H]1CC[NH2+]C1)C(=O)Cn1nc(C)c(Cl)c1C ZINC000435600723 563654176 /nfs/dbraw/zinc/65/41/76/563654176.db2.gz FPYWVCXUSMQREV-CQSZACIVSA-N 1 0 381.933 2.557 20 0 GFADRO C[C@H](C[NH+]1CCCCC1)NC(=O)[C@@H]1CC(=O)Nc2ccc(Br)cc21 ZINC000435671230 563656326 /nfs/dbraw/zinc/65/63/26/563656326.db2.gz JERYQKHATKYZIS-IUODEOHRSA-N 1 0 394.313 2.866 20 0 GFADRO COC(=O)CC[C@@H]([NH3+])C(=O)N1CCC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000288816520 563658265 /nfs/dbraw/zinc/65/82/65/563658265.db2.gz TVXJTKQDSUJEEE-IUODEOHRSA-N 1 0 389.279 2.644 20 0 GFADRO O=C1[C@H]2CSCCN2C(=O)N1C[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000349226850 563661857 /nfs/dbraw/zinc/66/18/57/563661857.db2.gz MBVDJEHAGKQASI-JKSUJKDBSA-N 1 0 379.913 2.857 20 0 GFADRO Cc1ncsc1CN(C[C@@H]1CC[NH2+]C1)[C@@H](C)C(=O)NCc1cccs1 ZINC000436050965 563663691 /nfs/dbraw/zinc/66/36/91/563663691.db2.gz JQQGKHDFHXVZCP-LSDHHAIUSA-N 1 0 378.567 2.629 20 0 GFADRO COCCC[N@H+](CCO)Cc1ccc(I)c(Cl)c1 ZINC000436109236 563664280 /nfs/dbraw/zinc/66/42/80/563664280.db2.gz KBRJFYBGPUQSBV-UHFFFAOYSA-N 1 0 383.657 2.775 20 0 GFADRO C[N@H+](CCOc1ccc(S(N)(=O)=O)cc1)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000289115025 563668474 /nfs/dbraw/zinc/66/84/74/563668474.db2.gz WMXAVVKQXFBGOG-BETUJISGSA-N 1 0 380.432 2.766 20 0 GFADRO CC1=CCC[N@H+](CC(=O)N2CCN(Cc3ccc(Br)s3)CC2)C1 ZINC000436262994 563668518 /nfs/dbraw/zinc/66/85/18/563668518.db2.gz RJMYTTLBMIABPM-UHFFFAOYSA-N 1 0 398.370 2.807 20 0 GFADRO CCO[C@@H]1C[C@](CO)([NH2+]Cc2cc(Br)c(O)c(OC)c2)C1(C)C ZINC000436379715 563669995 /nfs/dbraw/zinc/66/99/95/563669995.db2.gz RPQAAFSZBIJWEY-RHSMWYFYSA-N 1 0 388.302 2.819 20 0 GFADRO CC[N@H+](C)C[C@H]1CCN(C(=O)Nc2cnc3c(Br)cccn23)C1 ZINC000436483474 563672218 /nfs/dbraw/zinc/67/22/18/563672218.db2.gz CJYXHHKWINKRIW-GFCCVEGCSA-N 1 0 380.290 2.902 20 0 GFADRO CCOc1cc(C[NH2+]CCN2CCCOCC2)cc(Br)c1OC ZINC000289445700 563674286 /nfs/dbraw/zinc/67/42/86/563674286.db2.gz MMCZVABFRJHLSA-UHFFFAOYSA-N 1 0 387.318 2.668 20 0 GFADRO C[C@@H](O)c1ncc(CN(C)CCCOc2cccc(S(C)(=O)=O)c2)s1 ZINC000289467569 563675215 /nfs/dbraw/zinc/67/52/15/563675215.db2.gz YUCSUGSIUREASW-CYBMUJFWSA-N 1 0 384.523 2.501 20 0 GFADRO C[NH+](C)C1CCN(C(=O)Cc2noc(-c3cccc(Br)c3)n2)CC1 ZINC000350913446 563678642 /nfs/dbraw/zinc/67/86/42/563678642.db2.gz CQUPJPWBWQNIDE-UHFFFAOYSA-N 1 0 393.285 2.594 20 0 GFADRO C[C@]1(C[C@@H]2CCC[N@@H+]2Cc2csc(-c3cccs3)n2)NC(=O)NC1=O ZINC000289575498 563679416 /nfs/dbraw/zinc/67/94/16/563679416.db2.gz JRMANFGYALIYKL-YVEFUNNKSA-N 1 0 376.507 2.824 20 0 GFADRO C[C@@H](Cc1ccc(F)cc1Br)[NH2+][C@@H]1CCN(c2cnn(C)c2)C1=O ZINC000289748343 563685415 /nfs/dbraw/zinc/68/54/15/563685415.db2.gz NUHVRHQNZGSPCP-MEDUHNTESA-N 1 0 395.276 2.648 20 0 GFADRO Brc1ccn2cc(C[NH2+]CCc3nnc4n3CCCCC4)nc2c1 ZINC000289808000 563687415 /nfs/dbraw/zinc/68/74/15/563687415.db2.gz ISMNDQAGSMJXSG-UHFFFAOYSA-N 1 0 389.301 2.747 20 0 GFADRO C[C@H](NC(=O)Nc1ccn(CC[NH+](C)C)n1)c1ccc(Br)cc1F ZINC000436996956 563687473 /nfs/dbraw/zinc/68/74/73/563687473.db2.gz MBIYRSYJLHFRQR-NSHDSACASA-N 1 0 398.280 3.229 20 0 GFADRO COc1cc(CNC(=O)[C@H]2CC[NH2+][C@@H]2C(C)C)cc(Br)c1OC ZINC000289862583 563689591 /nfs/dbraw/zinc/68/95/91/563689591.db2.gz GOUYJBQWYUJACI-SWLSCSKDSA-N 1 0 385.302 2.717 20 0 GFADRO O[C@@H]1[C@H](C[NH2+]Cc2cn3ccc(Br)cc3n2)CCC12CCOCC2 ZINC000289888893 563690196 /nfs/dbraw/zinc/69/01/96/563690196.db2.gz QFMCNTKMWRHZEQ-SUMWQHHRSA-N 1 0 394.313 2.754 20 0 GFADRO Cn1ccc(N2CC[C@@H]([NH2+][C@@H]3CCc4c3cc(Br)cc4F)C2=O)n1 ZINC000361145360 563696949 /nfs/dbraw/zinc/69/69/49/563696949.db2.gz WCWHXJLLDNHELB-HUUCEWRRSA-N 1 0 393.260 2.704 20 0 GFADRO COc1ccsc1S(=O)(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000361308634 563698462 /nfs/dbraw/zinc/69/84/62/563698462.db2.gz DASVPEIUCRAVOV-INIZCTEOSA-N 1 0 380.535 2.947 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)c1ccc(F)c(Br)c1 ZINC000437742689 563698593 /nfs/dbraw/zinc/69/85/93/563698593.db2.gz GJVOETCNPMMZMA-WQVCFCJDSA-N 1 0 385.277 2.912 20 0 GFADRO C[C@@H](Cc1ccc(F)cc1Br)[NH2+]CC1(OCCO)CCOCC1 ZINC000290187082 563700564 /nfs/dbraw/zinc/70/05/64/563700564.db2.gz SLKZATQKFPUDAK-ZDUSSCGKSA-N 1 0 390.293 2.667 20 0 GFADRO CCCC[N@H+](C)C[C@@H](C)NS(=O)(=O)c1ccc(NC(C)=O)c(Cl)c1 ZINC000290217718 563701079 /nfs/dbraw/zinc/70/10/79/563701079.db2.gz OIDDAXBNYIZRHI-GFCCVEGCSA-N 1 0 375.922 2.697 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)Cc1ccc(Br)c(F)c1 ZINC000361783768 563701145 /nfs/dbraw/zinc/70/11/45/563701145.db2.gz NVCOURXZQPZTMF-XYPHTWIQSA-N 1 0 399.304 2.841 20 0 GFADRO COCCN(CC[NH+](C)C)C(=O)NCc1cccc(Br)c1Cl ZINC000413662444 563701279 /nfs/dbraw/zinc/70/12/79/563701279.db2.gz ZPMLBRUPMLOOAP-UHFFFAOYSA-N 1 0 392.725 2.822 20 0 GFADRO COc1ccc(Cl)cc1C[C@@H]1CCC[N@H+](CCN2CCCS2(=O)=O)C1 ZINC000438078201 563701322 /nfs/dbraw/zinc/70/13/22/563701322.db2.gz WVEVNRPWCIVGOM-HNNXBMFYSA-N 1 0 386.945 2.639 20 0 GFADRO C[C@H](Cc1ccc(F)cc1Br)[NH2+]C[C@@H]1CCCS(=O)(=O)C1 ZINC000290207678 563701455 /nfs/dbraw/zinc/70/14/55/563701455.db2.gz VMGQDDKEBWQBNP-NEPJUHHUSA-N 1 0 378.307 2.934 20 0 GFADRO Cc1cc(C(C)(C)C(=O)NCCC[NH+]2CCC(O)CC2)ccc1Br ZINC000290268777 563703293 /nfs/dbraw/zinc/70/32/93/563703293.db2.gz AYXLYOGULGZXRF-UHFFFAOYSA-N 1 0 397.357 2.998 20 0 GFADRO O=C(C[C@H](O)c1cc(Cl)cc(Cl)c1)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000362272567 563705353 /nfs/dbraw/zinc/70/53/53/563705353.db2.gz GULQMDWNVHPFRJ-SJORKVTESA-N 1 0 387.307 2.786 20 0 GFADRO CS(=O)(=O)N[C@@H]1CCC[C@H]1C[NH2+]C1CCN(c2ccc(Cl)cc2)CC1 ZINC000362303119 563705669 /nfs/dbraw/zinc/70/56/69/563705669.db2.gz ITSPYCYMOGFEGB-KBXCAEBGSA-N 1 0 385.961 2.616 20 0 GFADRO Cc1cc(C(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)c(C)cc1Br ZINC000362378885 563706435 /nfs/dbraw/zinc/70/64/35/563706435.db2.gz DBDPQZVQSMPFKM-OAHLLOKOSA-N 1 0 394.357 2.964 20 0 GFADRO C[NH+]1CCC(Oc2ccc(NC(=O)c3cccc(Br)n3)cn2)CC1 ZINC000362638530 563707856 /nfs/dbraw/zinc/70/78/56/563707856.db2.gz KHGSZKUYDXGACB-UHFFFAOYSA-N 1 0 391.269 2.964 20 0 GFADRO COC(=O)[C@H]1CN(C(=O)[C@H]2C[C@@H]2c2cc(Cl)cc(Cl)c2)CC[N@H+](C)C1 ZINC000413893401 563709965 /nfs/dbraw/zinc/70/99/65/563709965.db2.gz AVOYWIVAQSRBGZ-WQVCFCJDSA-N 1 0 385.291 2.660 20 0 GFADRO COCc1cccc(S(=O)(=O)NC2CC[NH+](Cc3cccs3)CC2)c1 ZINC000362975431 563710840 /nfs/dbraw/zinc/71/08/40/563710840.db2.gz IPCJPHIRWKDKJY-UHFFFAOYSA-N 1 0 380.535 2.837 20 0 GFADRO CC(C)S(=O)(=O)CC[NH2+][C@@H](C)c1ccc(I)cc1 ZINC000290499501 563712192 /nfs/dbraw/zinc/71/21/92/563712192.db2.gz YDFUBRHVZYMRJE-NSHDSACASA-N 1 0 381.279 2.765 20 0 GFADRO COc1cc(C[NH2+]C2CCN(c3cc(C)[nH]n3)CC2)cc(Br)c1O ZINC000438907894 563713043 /nfs/dbraw/zinc/71/30/43/563713043.db2.gz QYYDRAIZLJWWBH-UHFFFAOYSA-N 1 0 395.301 2.953 20 0 GFADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)CCc3cccc(Br)c3)CC2)C1 ZINC000363179659 563716461 /nfs/dbraw/zinc/71/64/61/563716461.db2.gz ORSSQISASIOPHG-SFHVURJKSA-N 1 0 394.357 2.620 20 0 GFADRO CCNC(=O)c1cccc(C[NH2+][C@@H](C)Cn2cc(Br)ccc2=O)c1 ZINC000414060149 563717347 /nfs/dbraw/zinc/71/73/47/563717347.db2.gz AOKPBLNJUXBGSQ-ZDUSSCGKSA-N 1 0 392.297 2.539 20 0 GFADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@@H](Cc1ccccc1)CN(C)C ZINC000414068449 563717392 /nfs/dbraw/zinc/71/73/92/563717392.db2.gz JSQOSGRKVBWPKQ-QAPCUYQASA-N 1 0 392.341 2.762 20 0 GFADRO C[C@@H]([NH2+]C[C@@H](O)COc1ccc(I)cc1)[C@H]1C[C@H]1C ZINC000414077318 563718268 /nfs/dbraw/zinc/71/82/68/563718268.db2.gz PUANDIODLWHWOA-CVMIBZJCSA-N 1 0 375.250 2.665 20 0 GFADRO C[C@@H](CCCNC(=O)OC(C)(C)C)[NH2+]CCn1cc(Br)cn1 ZINC000290687800 563718402 /nfs/dbraw/zinc/71/84/02/563718402.db2.gz MIPIGXLAPJOMMQ-LBPRGKRZSA-N 1 0 375.311 2.929 20 0 GFADRO COc1ccc(C[C@H](C)[NH2+]C[C@H](O)COc2ccccc2Br)cn1 ZINC000414089874 563718948 /nfs/dbraw/zinc/71/89/48/563718948.db2.gz KGVDWRKOUQSHIQ-ZFWWWQNUSA-N 1 0 395.297 2.813 20 0 GFADRO C[C@@H](Cn1cc(Br)ccc1=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000414115878 563719595 /nfs/dbraw/zinc/71/95/95/563719595.db2.gz PWDJCVSTLVBQNL-YOEHRIQHSA-N 1 0 382.346 2.853 20 0 GFADRO CC[C@@H](COCC(F)(F)F)[NH2+][C@@H](C)Cn1cc(Br)ccc1=O ZINC000414141353 563721024 /nfs/dbraw/zinc/72/10/24/563721024.db2.gz MEAOKUIPAYFNEJ-JQWIXIFHSA-N 1 0 385.224 2.946 20 0 GFADRO CSC1(C[NH2+]Cc2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)CCC1 ZINC000290788906 563721137 /nfs/dbraw/zinc/72/11/37/563721137.db2.gz CXAUGWMRCVVSFT-MRXNPFEDSA-N 1 0 384.567 2.519 20 0 GFADRO C[C@H](NC(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccc(Br)cc1 ZINC000363390746 563721211 /nfs/dbraw/zinc/72/12/11/563721211.db2.gz VXDFGAMXRXXDSO-RCBQFDQVSA-N 1 0 382.302 2.673 20 0 GFADRO C[C@H]([NH2+]C[C@@H](N1CCOCC1)C(F)(F)F)c1ccc(Br)nc1 ZINC000290834154 563723614 /nfs/dbraw/zinc/72/36/14/563723614.db2.gz XZOXGNZHZCBLPH-CMPLNLGQSA-N 1 0 382.224 2.758 20 0 GFADRO CN(C1CC[NH+](C2CCOCC2)CC1)S(=O)(=O)c1cc(F)ccc1Cl ZINC000363475275 563723781 /nfs/dbraw/zinc/72/37/81/563723781.db2.gz OAKFJJKAXCVBTD-UHFFFAOYSA-N 1 0 390.908 2.743 20 0 GFADRO OCC[C@@H]([NH2+]C[C@H](O)COc1cc(F)cc(Br)c1)c1ccco1 ZINC000439440022 563724680 /nfs/dbraw/zinc/72/46/80/563724680.db2.gz PHBHDMZRPMXCOS-DZGCQCFKSA-N 1 0 388.233 2.634 20 0 GFADRO CCN(CC)[C@@H](C[NH2+]Cc1ccc(S(N)(=O)=O)c(Cl)c1)c1ccco1 ZINC000414293510 563725569 /nfs/dbraw/zinc/72/55/69/563725569.db2.gz CWNAQTDNVQAGAC-HNNXBMFYSA-N 1 0 385.917 2.753 20 0 GFADRO CCC1(CO)CC[NH+](C[C@@H](O)COc2cc(F)cc(Br)c2)CC1 ZINC000439445544 563725752 /nfs/dbraw/zinc/72/57/52/563725752.db2.gz CHHPVUZSJDEONU-OAHLLOKOSA-N 1 0 390.293 2.812 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+]CCCOC2CCCC2)cc1Br ZINC000414317369 563726131 /nfs/dbraw/zinc/72/61/31/563726131.db2.gz JWMZDNVKQLEPAI-UHFFFAOYSA-N 1 0 391.331 2.535 20 0 GFADRO Cc1ncc(C[N@@H+]2CC[C@H](NC(=O)c3cc(N)nc(Cl)c3)[C@H](C)C2)s1 ZINC000363552045 563726235 /nfs/dbraw/zinc/72/62/35/563726235.db2.gz WLLMAWVFNKNWPN-YGRLFVJLSA-N 1 0 379.917 2.723 20 0 GFADRO CC[N@@H+]1C[C@H](C)N(C[C@@H](O)COc2cc(F)cc(Br)c2)C[C@H]1C ZINC000439461834 563726711 /nfs/dbraw/zinc/72/67/11/563726711.db2.gz MMEJPLBLDJFVSZ-DVOMOZLQSA-N 1 0 389.309 2.742 20 0 GFADRO C[C@H]1C[N@@H+](C2CCN(C(=O)c3ccc(F)cc3Br)CC2)CCO1 ZINC000363630261 563728205 /nfs/dbraw/zinc/72/82/05/563728205.db2.gz PGCDSDPGQGPWGL-LBPRGKRZSA-N 1 0 385.277 2.914 20 0 GFADRO Cn1ccc(N2CCC[C@H]([NH2+]Cc3cc(F)cc(Br)c3)C2=O)n1 ZINC000439568950 563728884 /nfs/dbraw/zinc/72/88/84/563728884.db2.gz ZTFBJPVBEVVKOZ-AWEZNQCLSA-N 1 0 381.249 2.607 20 0 GFADRO OC[C@H](C[NH2+]Cc1c[nH]c2nccnc12)Cc1cccc(Br)c1 ZINC000290999764 563729118 /nfs/dbraw/zinc/72/91/18/563729118.db2.gz ASQLOMGIHKBZOH-ZDUSSCGKSA-N 1 0 375.270 2.661 20 0 GFADRO COC(=O)c1cc(C[NH2+][C@@](C)(CO)c2ccc(Br)cc2)n(C)c1C ZINC000291035799 563730210 /nfs/dbraw/zinc/73/02/10/563730210.db2.gz JVBUJMUBHUFHNZ-SFHVURJKSA-N 1 0 395.297 2.880 20 0 GFADRO O=C(Cc1cc(Br)ccc1F)N1CCC[N@@H+](C2CCOCC2)CC1 ZINC000363911548 563736186 /nfs/dbraw/zinc/73/61/86/563736186.db2.gz ULCZVVATYVDVIT-UHFFFAOYSA-N 1 0 399.304 2.844 20 0 GFADRO Cc1c(S(=O)(=O)N[C@@H]2CCCC[C@H]2C[NH3+])cnn1-c1ccc(Cl)cc1 ZINC000440403596 563741419 /nfs/dbraw/zinc/74/14/19/563741419.db2.gz CZSVFOLWXWYKPS-XJKSGUPXSA-N 1 0 382.917 2.630 20 0 GFADRO C[NH+](C)[C@H]1CCC[C@@H]1NS(=O)(=O)c1cc(Br)ccc1Cl ZINC000414467293 563741887 /nfs/dbraw/zinc/74/18/87/563741887.db2.gz YEBCSLPCFXHINR-RYUDHWBXSA-N 1 0 381.723 2.864 20 0 GFADRO O=S(=O)(c1ccc(Br)cc1Cl)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000440449752 563742389 /nfs/dbraw/zinc/74/23/89/563742389.db2.gz XBJZTTXGOXSZAK-NSHDSACASA-N 1 0 379.707 2.618 20 0 GFADRO CCC(CC)(C[NH3+])NS(=O)(=O)c1cc(Br)sc1Cl ZINC000440424331 563742500 /nfs/dbraw/zinc/74/25/00/563742500.db2.gz JZZKIXWNQFDEIZ-UHFFFAOYSA-N 1 0 375.741 2.960 20 0 GFADRO O=C(Cc1ccccc1I)N1CCCC2(CC[NH2+]CC2)C1 ZINC000364121317 563744122 /nfs/dbraw/zinc/74/41/22/563744122.db2.gz LFWRXGLRTMYKNP-UHFFFAOYSA-N 1 0 398.288 2.826 20 0 GFADRO O=C(N[C@@H]1CCC[NH2+]C1)[C@@H]1CCCN1c1ncc(C(F)(F)F)cc1Cl ZINC000364154052 563744390 /nfs/dbraw/zinc/74/43/90/563744390.db2.gz BXPPBYBYEVKPPE-YPMHNXCESA-N 1 0 376.810 2.591 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+][C@@H]1CS[C@@H](C)C1 ZINC000414495015 563744662 /nfs/dbraw/zinc/74/46/62/563744662.db2.gz GLUVGXNJWHJKGV-MJVIPROJSA-N 1 0 387.343 2.946 20 0 GFADRO [NH3+][C@H]1CCC[C@]12CCN(C(=O)c1ccc(I)c(F)c1)C2 ZINC000364199209 563745829 /nfs/dbraw/zinc/74/58/29/563745829.db2.gz AFHPNGGQLXSVCT-DZGCQCFKSA-N 1 0 388.224 2.774 20 0 GFADRO CCOc1cc(C[NH2+][C@@H](CO)[C@@H]2CCCOC2)cc(Br)c1OC ZINC000414547831 563746282 /nfs/dbraw/zinc/74/62/82/563746282.db2.gz GWPBXFFWARHRKI-HIFRSBDPSA-N 1 0 388.302 2.734 20 0 GFADRO OC[C@H]([NH2+]Cc1ccc(OC(F)F)c(Br)c1)[C@H]1CCCOC1 ZINC000414566998 563747162 /nfs/dbraw/zinc/74/71/62/563747162.db2.gz XLJCJLNARASFEQ-AAEUAGOBSA-N 1 0 380.229 2.928 20 0 GFADRO Cc1csc(C(=O)N2CC[C@@H]3CC[N@@H+](C)[C@@H]3C2)c1I ZINC000364310868 563748833 /nfs/dbraw/zinc/74/88/33/563748833.db2.gz UOIQGSLMDQMJBM-WDEREUQCSA-N 1 0 390.290 2.827 20 0 GFADRO C[C@@H]1CN(S(=O)(=O)c2ccc3cc(Br)ccc3c2)CC[C@H]1[NH3+] ZINC000440746604 563749501 /nfs/dbraw/zinc/74/95/01/563749501.db2.gz JTYSJVUJTJSJPF-BDJLRTHQSA-N 1 0 383.311 2.960 20 0 GFADRO O=S(=O)(c1cc(Cl)ccc1Br)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000440756452 563749710 /nfs/dbraw/zinc/74/97/10/563749710.db2.gz JNVZUPQLMBEPSR-NSHDSACASA-N 1 0 379.707 2.618 20 0 GFADRO C[C@@H]1CCCN(S(=O)(=O)c2cc(Cl)ccc2Br)[C@@H]1C[NH3+] ZINC000440757338 563749764 /nfs/dbraw/zinc/74/97/64/563749764.db2.gz STCSDMBNJLMPDN-BXKDBHETSA-N 1 0 381.723 2.850 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000414725335 563750765 /nfs/dbraw/zinc/75/07/65/563750765.db2.gz VYKFQUHPJKJLJQ-AWEZNQCLSA-N 1 0 397.317 2.609 20 0 GFADRO [NH3+][C@H]1CCC[C@@H](CNC(=O)Nc2nnc(SCc3ccccc3)s2)C1 ZINC000414706299 563750825 /nfs/dbraw/zinc/75/08/25/563750825.db2.gz LOOLQBYFNHHDAB-KGLIPLIRSA-N 1 0 377.539 3.469 20 0 GFADRO [NH3+]CCN(CCO)C(=O)Nc1ncc(Cc2cccc(Cl)c2Cl)s1 ZINC000414728617 563750949 /nfs/dbraw/zinc/75/09/49/563750949.db2.gz CUOALFDWDQSAMX-UHFFFAOYSA-N 1 0 389.308 2.826 20 0 GFADRO C[C@@H]1CN(C(=O)Nc2nnc(SCc3ccccc3)s2)C[C@@]1(C)C[NH3+] ZINC000414704133 563751107 /nfs/dbraw/zinc/75/11/07/563751107.db2.gz JJJZAUUIWHOEAR-SJKOYZFVSA-N 1 0 377.539 3.279 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCN(S(=O)(=O)c2ccc3cc(Br)ccc3c2)C1 ZINC000440832896 563751151 /nfs/dbraw/zinc/75/11/51/563751151.db2.gz NKFNRJAPBUAUIS-FZMZJTMJSA-N 1 0 383.311 2.960 20 0 GFADRO CC(C)(C)[NH2+]CCN1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000414737914 563751566 /nfs/dbraw/zinc/75/15/66/563751566.db2.gz DRXJDKQTHBNCSN-ZDUSSCGKSA-N 1 0 383.334 2.883 20 0 GFADRO O=S(=O)(c1ccc(OC(F)F)c(Cl)c1)N1CCC2(C1)CC[NH2+]CC2 ZINC000440846971 563751688 /nfs/dbraw/zinc/75/16/88/563751688.db2.gz OGQZZOCCGUSMTJ-UHFFFAOYSA-N 1 0 380.844 2.706 20 0 GFADRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)Cc1cn(-c2ccccc2Br)nn1 ZINC000291653218 563752380 /nfs/dbraw/zinc/75/23/80/563752380.db2.gz USWHVMVBIWIBEA-CJNGLKHVSA-N 1 0 378.318 2.802 20 0 GFADRO C[C@H]1Cc2cc(S(=O)(=O)N3CCC([C@H]4CCC[NH2+]4)CC3)cc(Cl)c2O1 ZINC000440848769 563752465 /nfs/dbraw/zinc/75/24/65/563752465.db2.gz WGEFDMJRBSGKKS-YVEFUNNKSA-N 1 0 384.929 2.816 20 0 GFADRO O=C(Nc1ccc(I)cc1Cl)N[C@@H]1CCC[NH2+]C1 ZINC000414792645 563752742 /nfs/dbraw/zinc/75/27/42/563752742.db2.gz JFFDHXOCWTVMDS-SECBINFHSA-N 1 0 379.629 2.818 20 0 GFADRO CCOC(=O)COc1c(Br)cc(C)cc1CNC[C@@H]1CCC[NH2+]C1 ZINC000414828260 563753944 /nfs/dbraw/zinc/75/39/44/563753944.db2.gz LYSIOLZUWGHXGJ-CQSZACIVSA-N 1 0 399.329 2.789 20 0 GFADRO [NH3+]CC[C@H](NCc1c(F)ccc(I)c1F)C(F)F ZINC000415001242 563756771 /nfs/dbraw/zinc/75/67/71/563756771.db2.gz XNUHZHXSJUONGW-VIFPVBQESA-N 1 0 376.135 2.642 20 0 GFADRO Brc1ccc(OCc2ccccn2)c(CNC[C@@H]2C[NH2+]CCO2)c1 ZINC000415099950 563758475 /nfs/dbraw/zinc/75/84/75/563758475.db2.gz ZTLDTCOEGDNGDL-KRWDZBQOSA-N 1 0 392.297 2.501 20 0 GFADRO C[C@@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH2+]C[C@H]1CNCCO1 ZINC000415091886 563759032 /nfs/dbraw/zinc/75/90/32/563759032.db2.gz DIJCSMNCEWZAFT-CMPLNLGQSA-N 1 0 379.810 2.654 20 0 GFADRO CCOCCOc1ccc(Cl)cc1NC(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000415139181 563760161 /nfs/dbraw/zinc/76/01/61/563760161.db2.gz LCFIKGYQTINLLD-CQSZACIVSA-N 1 0 377.819 2.874 20 0 GFADRO O=C(Nc1cc(Br)cnc1OCC(F)(F)F)NC1CC[NH2+]CC1 ZINC000415167804 563761771 /nfs/dbraw/zinc/76/17/71/563761771.db2.gz HIEJQXRGQPAVLP-UHFFFAOYSA-N 1 0 397.195 2.659 20 0 GFADRO C[C@H](C[NH3+])CNC(=O)Nc1ccc(CCn2cc(Br)cn2)cc1 ZINC000415211413 563762514 /nfs/dbraw/zinc/76/25/14/563762514.db2.gz MBBBKRONEOIGRI-GFCCVEGCSA-N 1 0 380.290 2.605 20 0 GFADRO [NH3+]C1(CNC(=O)C(=O)Nc2ccc(OC(F)F)c(Cl)c2)CCCCC1 ZINC000415285541 563765349 /nfs/dbraw/zinc/76/53/49/563765349.db2.gz YVFRQXNQDGYQKC-UHFFFAOYSA-N 1 0 375.803 2.658 20 0 GFADRO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(C(F)(F)F)cc2Cl)C1 ZINC000415288126 563765474 /nfs/dbraw/zinc/76/54/74/563765474.db2.gz ZLLYIJCPGLYWLV-JTQLQIEISA-N 1 0 377.794 2.755 20 0 GFADRO [NH3+]CC[C@@H](NC(=O)Nc1cnn(-c2ncc(Cl)cc2Cl)c1)C(F)F ZINC000415304309 563766079 /nfs/dbraw/zinc/76/60/79/563766079.db2.gz FVJBRFKMNGFTPO-SNVBAGLBSA-N 1 0 379.198 2.678 20 0 GFADRO O=C(Nc1ccc(C(F)(F)F)cc1Cl)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000441972722 563766230 /nfs/dbraw/zinc/76/62/30/563766230.db2.gz OCZXCKZZRJKYFT-JTQLQIEISA-N 1 0 375.778 2.650 20 0 GFADRO O=C(Nc1ccc(CCn2cc(Br)cn2)cc1)[C@]1(F)CC[NH2+]C1 ZINC000364871214 563766744 /nfs/dbraw/zinc/76/67/44/563766744.db2.gz YRGOWWGIBPBDLV-INIZCTEOSA-N 1 0 381.249 2.528 20 0 GFADRO COC(=O)c1c(CC(C)C)csc1NC(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000415335992 563768166 /nfs/dbraw/zinc/76/81/66/563768166.db2.gz MEVYLCZNDDZWDC-NSHDSACASA-N 1 0 375.441 2.852 20 0 GFADRO COC(=O)c1cc(Br)ccc1NC(=O)N1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000415337615 563768255 /nfs/dbraw/zinc/76/82/55/563768255.db2.gz USWODMANMJFRHG-QMTHXVAHSA-N 1 0 384.274 2.827 20 0 GFADRO CO[C@@H]1CCN(C(=O)Nc2cc(F)c(Br)cc2F)[C@@H](C[NH3+])C1 ZINC000415347335 563768753 /nfs/dbraw/zinc/76/87/53/563768753.db2.gz CXWSRDYJJHVQRY-RKDXNWHRSA-N 1 0 378.217 2.697 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)C(=O)Nc2ccc(C(F)(F)F)cc2Cl)CC[N@@H+]1C ZINC000442151820 563768803 /nfs/dbraw/zinc/76/88/03/563768803.db2.gz QVKNIHREBLGIOY-MWLCHTKSSA-N 1 0 377.794 2.896 20 0 GFADRO CCOC(=O)c1cc(Br)ccc1NC(=O)N1C[C@@H](C[NH3+])C[C@H]1C ZINC000415352182 563769301 /nfs/dbraw/zinc/76/93/01/563769301.db2.gz PDEPJXRAFWUGNX-GHMZBOCLSA-N 1 0 384.274 2.827 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCN(C(=O)Nc2cnn(-c3ccccc3Br)c2)C1 ZINC000415350918 563769409 /nfs/dbraw/zinc/76/94/09/563769409.db2.gz GURKMVVIGCEQBC-RYUDHWBXSA-N 1 0 378.274 2.836 20 0 GFADRO Cc1cc(NC(=O)C(=O)N[C@H](C)[C@H]2CCC[NH2+]C2)cc(C)c1Br ZINC000415352400 563769479 /nfs/dbraw/zinc/76/94/79/563769479.db2.gz KOMFZCRBIOZDHY-OLZOCXBDSA-N 1 0 382.302 2.509 20 0 GFADRO CC(C)[C@@](C)(C[NH3+])NC(=O)Nc1cccc(F)c1I ZINC000415353811 563769561 /nfs/dbraw/zinc/76/95/61/563769561.db2.gz DHFHJMYFMUAOKA-CYBMUJFWSA-N 1 0 379.217 2.925 20 0 GFADRO Cn1cc([C@H]2[C@@H](CNC(=O)c3cc(Cl)cc(Cl)n3)CCC[N@@H+]2C)cn1 ZINC000364961064 563770281 /nfs/dbraw/zinc/77/02/81/563770281.db2.gz OABVAPNXXFCBPU-BDJLRTHQSA-N 1 0 382.295 2.935 20 0 GFADRO C[NH2+][C@H]1CCN(C(=O)Nc2c(-c3ccc(Br)cc3)c(C)nn2C)C1 ZINC000415363146 563770484 /nfs/dbraw/zinc/77/04/84/563770484.db2.gz RAAYLYIIZACMER-AWEZNQCLSA-N 1 0 392.301 2.984 20 0 GFADRO [NH3+]C1CCC(NC(=O)C(=O)Nc2cc(F)c(Br)cc2Cl)CC1 ZINC000415362368 563770626 /nfs/dbraw/zinc/77/06/26/563770626.db2.gz VJKOLOMBILGIQW-UHFFFAOYSA-N 1 0 392.656 2.566 20 0 GFADRO CC(C)c1cc(Br)ccc1NC(=O)NCCCN1CC[NH2+]CC1 ZINC000415360249 563770661 /nfs/dbraw/zinc/77/06/61/563770661.db2.gz LNCDQKCULDJIAC-UHFFFAOYSA-N 1 0 383.334 2.989 20 0 GFADRO CN(C[C@@H](O)C[NH3+])C(=O)Nc1cc(Cl)c(OCC(F)(F)F)c(Cl)c1 ZINC000415368383 563771216 /nfs/dbraw/zinc/77/12/16/563771216.db2.gz AJZLHKOQFUAZEV-QMMMGPOBSA-N 1 0 390.189 2.718 20 0 GFADRO C[NH2+]CCCNC(=O)Nc1c(C)c(C)nn1-c1ccc(Br)cc1 ZINC000415373494 563771295 /nfs/dbraw/zinc/77/12/95/563771295.db2.gz WMSOVZDGRUIICN-UHFFFAOYSA-N 1 0 380.290 2.983 20 0 GFADRO C[C@H](CNC(=O)[C@H](C)c1cccc(Br)c1)C[NH+]1CCN(C)CC1 ZINC000292049806 563771513 /nfs/dbraw/zinc/77/15/13/563771513.db2.gz GNKWPANWVSWWIO-HUUCEWRRSA-N 1 0 382.346 2.552 20 0 GFADRO Cc1cc(F)c(NC(=O)N2CC[C@@H]([NH3+])[C@@H](C)C2)c(I)c1 ZINC000415395567 563772629 /nfs/dbraw/zinc/77/26/29/563772629.db2.gz SRWZPHAGZBIQDE-JOYOIKCWSA-N 1 0 391.228 2.940 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N2CCC([C@@H](C)[NH3+])CC2)cc1Br ZINC000415393310 563772674 /nfs/dbraw/zinc/77/26/74/563772674.db2.gz YZNFAJNOQGBKEL-GFCCVEGCSA-N 1 0 382.302 2.590 20 0 GFADRO CCC(=O)N1CCC[N@H+](CCC(=O)Nc2ccccc2Br)CC1 ZINC000365062154 563772883 /nfs/dbraw/zinc/77/28/83/563772883.db2.gz MCQLYQDQAKDZDI-UHFFFAOYSA-N 1 0 382.302 2.722 20 0 GFADRO CCCN(C(=O)C(=O)Nc1ccc(C(F)(F)F)cc1Cl)[C@H]1CC[NH2+]C1 ZINC000415410062 563773687 /nfs/dbraw/zinc/77/36/87/563773687.db2.gz VCUYHTGVPKOQKL-NSHDSACASA-N 1 0 377.794 2.898 20 0 GFADRO [NH3+][C@@H]1CCC[C@@]12CCN(C(=O)c1cnn(-c3cccc(Br)c3)c1)C2 ZINC000365106665 563774028 /nfs/dbraw/zinc/77/40/28/563774028.db2.gz VXEBLTDWQGUMOI-AEFFLSMTSA-N 1 0 389.297 2.978 20 0 GFADRO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)Nc1cccc(Cl)c1Br ZINC000415424361 563774282 /nfs/dbraw/zinc/77/42/82/563774282.db2.gz ILXQUFUBKPQTGR-SECBINFHSA-N 1 0 376.682 2.531 20 0 GFADRO COCCOc1ccc(Br)cc1NC(=O)N[C@H]1CC[NH2+][C@@H](C)C1 ZINC000415424180 563774407 /nfs/dbraw/zinc/77/44/07/563774407.db2.gz IDNUVBUJZFRJIR-AAEUAGOBSA-N 1 0 386.290 2.736 20 0 GFADRO Cc1cccc(NC(=O)C(=O)N[C@@H](C[NH3+])C2CCCCC2)c1Br ZINC000415429139 563774926 /nfs/dbraw/zinc/77/49/26/563774926.db2.gz RBIBOSHEEYCPPG-AWEZNQCLSA-N 1 0 382.302 2.720 20 0 GFADRO C[N@@H+]1CCN(CCNC(=O)N2CCc3ccc(Br)cc32)CC1(C)C ZINC000442606448 563775154 /nfs/dbraw/zinc/77/51/54/563775154.db2.gz FTFZIGWMPDBDMG-UHFFFAOYSA-N 1 0 395.345 2.547 20 0 GFADRO C[NH2+]C[C@H]1CCN(C(=O)Nc2cc(C)n(-c3ccc(Cl)cc3Cl)n2)C1 ZINC000415430897 563775500 /nfs/dbraw/zinc/77/55/00/563775500.db2.gz RQZZVSRGMYJQSH-GFCCVEGCSA-N 1 0 382.295 3.561 20 0 GFADRO COCCOc1ccc(Br)cc1NC(=O)N[C@H](C[NH3+])CC(C)C ZINC000415435264 563775710 /nfs/dbraw/zinc/77/57/10/563775710.db2.gz ZESGJKGLTKLNNC-ZDUSSCGKSA-N 1 0 388.306 2.969 20 0 GFADRO Cc1ccc(NC(=O)C(=O)N[C@@H](C[NH3+])C2CCCCC2)cc1Br ZINC000415431486 563775784 /nfs/dbraw/zinc/77/57/84/563775784.db2.gz URXUGECIMLCTIF-HNNXBMFYSA-N 1 0 382.302 2.720 20 0 GFADRO Cc1cc(NC(=O)C(=O)N2CCC([NH2+]CC3CC3)CC2)ccc1Br ZINC000415445101 563776146 /nfs/dbraw/zinc/77/61/46/563776146.db2.gz GCGDPRJIHKKCHA-UHFFFAOYSA-N 1 0 394.313 2.687 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)Nc1ccc(S(C)(=O)=O)c(C(F)F)c1 ZINC000415445193 563776163 /nfs/dbraw/zinc/77/61/63/563776163.db2.gz VSEZAXVGFKGAKB-MFKMUULPSA-N 1 0 375.441 2.761 20 0 GFADRO CCOc1c(Cl)cc(NC(=O)C(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)cc1Cl ZINC000415442089 563776537 /nfs/dbraw/zinc/77/65/37/563776537.db2.gz PSPRPRYFFWXHIQ-GHMZBOCLSA-N 1 0 388.295 2.916 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)c(Br)c1 ZINC000415458216 563776853 /nfs/dbraw/zinc/77/68/53/563776853.db2.gz YCEHDGLEORPKLC-STQMWFEESA-N 1 0 382.302 2.590 20 0 GFADRO C[C@H]1CN(c2ncc(Br)cc2Cl)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000365195258 563776956 /nfs/dbraw/zinc/77/69/56/563776956.db2.gz ZUHCPGQFWKCXAA-SWLSCSKDSA-N 1 0 387.753 2.960 20 0 GFADRO CCOCCOc1ccc(Br)cc1NC(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000415467449 563777583 /nfs/dbraw/zinc/77/75/83/563777583.db2.gz VBZXBVAXTOQQDG-AAEUAGOBSA-N 1 0 386.290 2.818 20 0 GFADRO [NH3+]C[C@H]1CCCN1C(=O)C(=O)Nc1cccc(Cl)c1SCC(F)F ZINC000415468597 563777598 /nfs/dbraw/zinc/77/75/98/563777598.db2.gz KIBIKKXCTYEBGR-SECBINFHSA-N 1 0 377.844 2.585 20 0 GFADRO COC(=O)c1cc(Br)c(F)cc1NC(=O)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000415469796 563777658 /nfs/dbraw/zinc/77/76/58/563777658.db2.gz MOFJNTXCAHIBDG-BDAKNGLRSA-N 1 0 388.237 2.637 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)Nc2cc(Br)cnc2-n2cccn2)C1 ZINC000415489149 563778853 /nfs/dbraw/zinc/77/88/53/563778853.db2.gz UMEJLMZZJNTHJB-RYUDHWBXSA-N 1 0 393.289 2.621 20 0 GFADRO CS(=O)(=O)C[C@@H]1CCN(Cc2cc(Br)cc3cccnc32)C1 ZINC000292210802 563778906 /nfs/dbraw/zinc/77/89/06/563778906.db2.gz MIRZKLDCZPGRHT-GFCCVEGCSA-N 1 0 383.311 2.864 20 0 GFADRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)Nc1cc(Br)cnc1-n1cccn1 ZINC000415489892 563778927 /nfs/dbraw/zinc/77/89/27/563778927.db2.gz UYCDSMQYYCFMGG-AAEUAGOBSA-N 1 0 393.289 2.669 20 0 GFADRO Cc1cccc(NC(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])c1Br ZINC000415493049 563779018 /nfs/dbraw/zinc/77/90/18/563779018.db2.gz CLAVJDWHNZGCER-ZDUSSCGKSA-N 1 0 397.317 2.609 20 0 GFADRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)Nc1nnc(-c2cccc(Br)c2)s1 ZINC000415498586 563779669 /nfs/dbraw/zinc/77/96/69/563779669.db2.gz JWBTZNIDTUQNLL-VHSXEESVSA-N 1 0 396.314 3.169 20 0 GFADRO C[C@@H]1CCN(C(=O)Nc2nnc(-c3c(F)cccc3Cl)s2)C[C@H]1C[NH3+] ZINC000415506122 563780326 /nfs/dbraw/zinc/78/03/26/563780326.db2.gz AUJMETLVWRNTGG-NXEZZACHSA-N 1 0 383.880 3.446 20 0 GFADRO Cc1ccc(I)cc1NC(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000415509457 563780914 /nfs/dbraw/zinc/78/09/14/563780914.db2.gz UFOZVCWXFFQMPO-NSHDSACASA-N 1 0 395.191 2.718 20 0 GFADRO C[NH2+]C[C@@H](C)CNC(=O)Nc1ccnn1Cc1ccc(Br)cc1 ZINC000415528196 563782544 /nfs/dbraw/zinc/78/25/44/563782544.db2.gz LMUAMJFROMMJBA-GFCCVEGCSA-N 1 0 380.290 2.671 20 0 GFADRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)Nc1ccnn1Cc1ccc(Br)cc1 ZINC000415526633 563782636 /nfs/dbraw/zinc/78/26/36/563782636.db2.gz JYCXBZGMBGJAGW-SWLSCSKDSA-N 1 0 392.301 2.813 20 0 GFADRO [NH3+][C@@H](CNC(=O)Nc1ccnn1Cc1cccc(Br)c1)C1CC1 ZINC000415531105 563783226 /nfs/dbraw/zinc/78/32/26/563783226.db2.gz XZYNKPKBFACHSK-AWEZNQCLSA-N 1 0 378.274 2.553 20 0 GFADRO O=S(=O)(NCC[NH2+]C1CCC(C(F)(F)F)CC1)c1ccc(F)cc1F ZINC000442880751 563783311 /nfs/dbraw/zinc/78/33/11/563783311.db2.gz YDBORAPOTOHGQX-UHFFFAOYSA-N 1 0 386.386 2.954 20 0 GFADRO Cc1ccc(F)c(NC(=O)C(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1Br ZINC000415542582 563783752 /nfs/dbraw/zinc/78/37/52/563783752.db2.gz QGCKQPNJCUTLGL-FOSCPWQOSA-N 1 0 398.276 2.577 20 0 GFADRO C[NH2+]CCC1CCN(C(=O)C(=O)Nc2cc(Br)ccc2C)CC1 ZINC000415550638 563784255 /nfs/dbraw/zinc/78/42/55/563784255.db2.gz MRYGNEKXUVHRGY-UHFFFAOYSA-N 1 0 382.302 2.544 20 0 GFADRO C[NH2+]CCC1CCN(C(=O)C(=O)Nc2c(C)cc(C)cc2Br)CC1 ZINC000415553387 563784673 /nfs/dbraw/zinc/78/46/73/563784673.db2.gz RIZDGPLPCCAOEG-UHFFFAOYSA-N 1 0 396.329 2.853 20 0 GFADRO COCC1(CNC(=O)Nc2cc(F)cc(F)c2Br)CC[NH2+]CC1 ZINC000415569015 563785018 /nfs/dbraw/zinc/78/50/18/563785018.db2.gz RDCWMWUWFCQPGA-UHFFFAOYSA-N 1 0 392.244 2.865 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)C(=O)Nc2cccnc2-c2ccc(Cl)s2)C1 ZINC000415588531 563785884 /nfs/dbraw/zinc/78/58/84/563785884.db2.gz ZZYKSOXCPJXLPQ-MNOVXSKESA-N 1 0 378.885 2.598 20 0 GFADRO COc1ccc(NC(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)c(I)c1 ZINC000415595400 563786467 /nfs/dbraw/zinc/78/64/67/563786467.db2.gz KJBWCZQWNXFTPS-NXEZZACHSA-N 1 0 389.237 2.691 20 0 GFADRO COC(=O)c1cccc(NC(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1Br ZINC000415595191 563786491 /nfs/dbraw/zinc/78/64/91/563786491.db2.gz ANNNMDMDLRLVLH-SDDRHHMPSA-N 1 0 396.285 2.745 20 0 GFADRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)Nc1cccnc1-c1ccc(Cl)s1 ZINC000415604933 563787514 /nfs/dbraw/zinc/78/75/14/563787514.db2.gz CBFQSSYEHRVWHJ-ZYHUDNBSSA-N 1 0 378.885 2.516 20 0 GFADRO COC(=O)c1cccc(NC(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)c1Br ZINC000415607992 563787576 /nfs/dbraw/zinc/78/75/76/563787576.db2.gz LCWWRMURCIIGLH-QWRGUYRKSA-N 1 0 384.274 2.827 20 0 GFADRO Cc1ncsc1CN(C[C@H]1CC[NH2+]C1)C(=O)C(=O)Nc1ccsc1Cl ZINC000415620282 563788749 /nfs/dbraw/zinc/78/87/49/563788749.db2.gz IMVYBJALFVFIGA-NSHDSACASA-N 1 0 398.941 2.743 20 0 GFADRO CC(C)c1cc(Br)ccc1NC(=O)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000415622819 563788823 /nfs/dbraw/zinc/78/88/23/563788823.db2.gz DMOIRLBBWXLXRV-CYBMUJFWSA-N 1 0 382.302 2.769 20 0 GFADRO CN(CC(C)(C)C[NH3+])C(=O)Nc1ccc(-c2ccc(Br)s2)nn1 ZINC000415640075 563790099 /nfs/dbraw/zinc/79/00/99/563790099.db2.gz SBRRYOKEMBYVFH-UHFFFAOYSA-N 1 0 398.330 3.416 20 0 GFADRO CC(C)c1cc(Br)ccc1NC(=O)C(=O)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000415651587 563790168 /nfs/dbraw/zinc/79/01/68/563790168.db2.gz COSLOSAQIABRMN-YPMHNXCESA-N 1 0 382.302 2.768 20 0 GFADRO CC(C)c1cc(Br)ccc1NC(=O)C(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000415666754 563790492 /nfs/dbraw/zinc/79/04/92/563790492.db2.gz XHUPMOWLTHLJRH-BXUZGUMPSA-N 1 0 382.302 2.625 20 0 GFADRO Cc1cccc(NC(=O)C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)c1Br ZINC000415674117 563790655 /nfs/dbraw/zinc/79/06/55/563790655.db2.gz JLXHIOQPOSNLOZ-ZDUSSCGKSA-N 1 0 382.302 2.590 20 0 GFADRO Cc1cccc(NC(=O)C(=O)NC[C@H]2[NH2+]CCCC2(C)C)c1Br ZINC000415674115 563790679 /nfs/dbraw/zinc/79/06/79/563790679.db2.gz JLXHIOQPOSNLOZ-CYBMUJFWSA-N 1 0 382.302 2.590 20 0 GFADRO COC(=O)c1cc(NC(=O)N2CC[C@@](C)(C[NH3+])C2)c(C)cc1Br ZINC000415712496 563792610 /nfs/dbraw/zinc/79/26/10/563792610.db2.gz VDAXFTFEARYABI-INIZCTEOSA-N 1 0 384.274 2.747 20 0 GFADRO Cc1cc(I)cc(NC(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)c1 ZINC000415712284 563792714 /nfs/dbraw/zinc/79/27/14/563792714.db2.gz QVLYRBBZDAKXLH-VXGBXAGGSA-N 1 0 385.249 2.673 20 0 GFADRO O=S1(=O)CC[C@H]([NH2+]C2CCN(Cc3csc(-c4ccsc4)n3)CC2)C1 ZINC000365777134 563792765 /nfs/dbraw/zinc/79/27/65/563792765.db2.gz LSANAAPWYAXSDA-HNNXBMFYSA-N 1 0 397.591 2.613 20 0 GFADRO COC(=O)c1cc(NC(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)c(C)cc1Br ZINC000415708505 563792886 /nfs/dbraw/zinc/79/28/86/563792886.db2.gz NWSBTWYBUYCPNO-NWDGAFQWSA-N 1 0 396.285 2.617 20 0 GFADRO Cc1cc(I)cc(NC(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)c1 ZINC000415717305 563793178 /nfs/dbraw/zinc/79/31/78/563793178.db2.gz YAMXWNMJQDXBTI-SMDDNHRTSA-N 1 0 385.249 2.815 20 0 GFADRO COC(=O)c1cc(NC(=O)NCC[C@H]2CC[NH2+]C2)c(C)cc1Br ZINC000415714754 563793284 /nfs/dbraw/zinc/79/32/84/563793284.db2.gz YFPCEISFTOVXLX-LLVKDONJSA-N 1 0 384.274 2.665 20 0 GFADRO CCOc1c(Cl)cc(NC(=O)C(=O)N[C@@H](C)CCCC[NH3+])cc1Cl ZINC000415744309 563793645 /nfs/dbraw/zinc/79/36/45/563793645.db2.gz PRTNWYGOLYRRSW-JTQLQIEISA-N 1 0 376.284 2.964 20 0 GFADRO C[C@H](CCCC[NH3+])NC(=O)C(=O)Nc1cc(Cl)ccc1OC(F)(F)F ZINC000415748254 563793730 /nfs/dbraw/zinc/79/37/30/563793730.db2.gz YHENJLKFBQENSX-SECBINFHSA-N 1 0 381.782 2.811 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)Nc1ccn(-c2ccc(Br)cc2)n1 ZINC000415758888 563794950 /nfs/dbraw/zinc/79/49/50/563794950.db2.gz PLCKWGOUNPATDS-IUODEOHRSA-N 1 0 392.301 3.368 20 0 GFADRO [NH3+][C@@H]1CCC[C@H](CNC(=O)C(=O)Nc2cc(Cl)cc(Br)c2)C1 ZINC000415797535 563796856 /nfs/dbraw/zinc/79/68/56/563796856.db2.gz AEGGPYFSLBZMJT-JOYOIKCWSA-N 1 0 388.693 2.675 20 0 GFADRO [NH3+][C@@H]1CCC[C@H](CNC(=O)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)C1 ZINC000415802704 563796955 /nfs/dbraw/zinc/79/69/55/563796955.db2.gz GIYVRKRZMNZIAE-GXSJLCMTSA-N 1 0 377.794 2.931 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H](CNC(=O)C(=O)Nc2cc(Cl)ccc2Br)C1 ZINC000415805444 563796976 /nfs/dbraw/zinc/79/69/76/563796976.db2.gz JBSWFVKJUCWADU-MWLCHTKSSA-N 1 0 388.693 2.675 20 0 GFADRO [NH3+][C@@H]1CCC[C@H](CNC(=O)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)C1 ZINC000415807118 563797596 /nfs/dbraw/zinc/79/75/96/563797596.db2.gz KXRNHVIYEQTGEB-GXSJLCMTSA-N 1 0 377.794 2.931 20 0 GFADRO O=C(NCCC[C@@H]1CCC[NH2+]1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000415811859 563797665 /nfs/dbraw/zinc/79/76/65/563797665.db2.gz ZKHGUMHRVNEWSI-JTQLQIEISA-N 1 0 377.794 2.946 20 0 GFADRO [NH3+][C@@H]1CCC[C@H](CNC(=O)C(=O)Nc2cc(Cl)ccc2C(F)(F)F)C1 ZINC000415807497 563797680 /nfs/dbraw/zinc/79/76/80/563797680.db2.gz LCOFAYLTNKEVPE-GXSJLCMTSA-N 1 0 377.794 2.931 20 0 GFADRO O=C(NCC1C[NH2+]C1)Nc1cnn(Cc2ccc(Br)cc2Cl)c1 ZINC000415822859 563798469 /nfs/dbraw/zinc/79/84/69/563798469.db2.gz QVDHHVWBCUKLBI-UHFFFAOYSA-N 1 0 398.692 2.688 20 0 GFADRO [NH3+]C[C@@H](NC(=O)C(=O)Nc1ccc(Br)c(Cl)c1)C1CCCC1 ZINC000415825127 563798496 /nfs/dbraw/zinc/79/84/96/563798496.db2.gz YJDILQMKHLOREB-CYBMUJFWSA-N 1 0 388.693 2.675 20 0 GFADRO OCc1cn([C@H]2CCC[N@H+](CCCc3ccccc3Br)C2)nn1 ZINC000293040108 563798725 /nfs/dbraw/zinc/79/87/25/563798725.db2.gz SELMDPJGHLTXGU-INIZCTEOSA-N 1 0 379.302 2.803 20 0 GFADRO [NH3+]C[C@H](NC(=O)C(=O)Nc1ccc(Cl)cc1C(F)(F)F)C1CCCC1 ZINC000415841941 563799164 /nfs/dbraw/zinc/79/91/64/563799164.db2.gz OOHOZOSOLSRBKQ-ZDUSSCGKSA-N 1 0 377.794 2.931 20 0 GFADRO O=C(c1c(F)cccc1I)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000366183172 563800265 /nfs/dbraw/zinc/80/02/65/563800265.db2.gz ZBDIKOKTGUENAY-NSHDSACASA-N 1 0 388.224 2.741 20 0 GFADRO CC[NH2+]Cc1cccc(NC(=O)NCc2cc(Br)cnc2N)c1 ZINC000415939202 563801327 /nfs/dbraw/zinc/80/13/27/563801327.db2.gz YVNXGKIGKPXUMQ-UHFFFAOYSA-N 1 0 378.274 2.858 20 0 GFADRO C[C@](CO)(NC(=O)N[C@@H](CC[NH3+])C(F)(F)F)c1cc(Cl)cc(Cl)c1 ZINC000415990606 563801771 /nfs/dbraw/zinc/80/17/71/563801771.db2.gz DCGFBUMCDFPTMG-WCQYABFASA-N 1 0 388.217 2.780 20 0 GFADRO [NH3+]CC[C@@H](NC(=O)N1CCc2cc(Br)ccc2C1)C(F)(F)F ZINC000416033648 563803318 /nfs/dbraw/zinc/80/33/18/563803318.db2.gz SAXRZGQOWMTCTF-GFCCVEGCSA-N 1 0 380.208 2.797 20 0 GFADRO [NH3+]CC[C@@H](NC(=O)N[C@H](c1cncc(Br)c1)C1CC1)C(F)(F)F ZINC000416038242 563803716 /nfs/dbraw/zinc/80/37/16/563803716.db2.gz DECGQRIVJXFYTP-NEPJUHHUSA-N 1 0 395.223 2.874 20 0 GFADRO [NH3+]CC[C@H](NC(=O)N[C@@H](c1cncc(Br)c1)C1CC1)C(F)(F)F ZINC000416038243 563803932 /nfs/dbraw/zinc/80/39/32/563803932.db2.gz DECGQRIVJXFYTP-NWDGAFQWSA-N 1 0 395.223 2.874 20 0 GFADRO COc1ccc(Br)cc1C1(C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000416144451 563806965 /nfs/dbraw/zinc/80/69/65/563806965.db2.gz NEZQPUFTJQJOPH-ZDUSSCGKSA-N 1 0 379.298 2.842 20 0 GFADRO COCCC[N@H+](C)CCNC(=O)C1(c2cc(Br)ccc2OC)CC1 ZINC000416154883 563807171 /nfs/dbraw/zinc/80/71/71/563807171.db2.gz KMYYKPJZXLHVTG-UHFFFAOYSA-N 1 0 399.329 2.574 20 0 GFADRO CC1(C[NH+]2CCOCC2)CCN(C(=O)c2csc(C(F)(F)F)n2)CC1 ZINC000366410691 563807710 /nfs/dbraw/zinc/80/77/10/563807710.db2.gz ZZVLLTZWTYZGFJ-UHFFFAOYSA-N 1 0 377.432 2.736 20 0 GFADRO CS(=O)(=O)CC[C@@H]1CCCCN1Cc1ccc(Cl)cc1-n1cncn1 ZINC000366438600 563808284 /nfs/dbraw/zinc/80/82/84/563808284.db2.gz LJCBMQPRNXOGOS-INIZCTEOSA-N 1 0 382.917 2.710 20 0 GFADRO CC(C)[N@H+](C)Cc1ccccc1CNS(=O)(=O)c1cc(Cl)cnc1N ZINC000443703981 563809477 /nfs/dbraw/zinc/80/94/77/563809477.db2.gz DGBAQUXFGLKOOL-UHFFFAOYSA-N 1 0 382.917 2.636 20 0 GFADRO CC[NH+](CC)Cc1cccc(CNS(=O)(=O)c2cc(Cl)cnc2N)c1 ZINC000443706847 563809667 /nfs/dbraw/zinc/80/96/67/563809667.db2.gz KXXQNRWZOOKOMY-UHFFFAOYSA-N 1 0 382.917 2.638 20 0 GFADRO OCC[C@@H]([NH2+]C[C@H](O)COCC(F)(F)F)c1ccc(Cl)c(Cl)c1 ZINC000293471546 563814215 /nfs/dbraw/zinc/81/42/15/563814215.db2.gz XKBLFUNNWQJEQS-GXFFZTMASA-N 1 0 376.202 2.946 20 0 GFADRO C[NH+](C)C1(CNC(=O)[C@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000416305117 563814851 /nfs/dbraw/zinc/81/48/51/563814851.db2.gz WGKPIXFZYRTVNL-OAHLLOKOSA-N 1 0 384.307 2.808 20 0 GFADRO O=C(c1[nH]nc(-c2ccccc2)c1Br)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000366602719 563815125 /nfs/dbraw/zinc/81/51/25/563815125.db2.gz RJFMPTFYZWVVPN-CHWSQXEVSA-N 1 0 375.270 2.663 20 0 GFADRO C[C@H]1C[C@H](NC(=O)c2nn(C)cc2Br)C[N@@H+]1Cc1ccccc1 ZINC000293519138 563816776 /nfs/dbraw/zinc/81/67/76/563816776.db2.gz XWGRSFIWLPAMOU-JSGCOSHPSA-N 1 0 377.286 2.575 20 0 GFADRO COC(=O)c1c(Cl)cccc1S(=O)(=O)NC[C@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000416373287 563819049 /nfs/dbraw/zinc/81/90/49/563819049.db2.gz ONZVKEJSVCTEBX-STQMWFEESA-N 1 0 388.917 2.668 20 0 GFADRO CN1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2F)c2c[nH+]ccc21 ZINC000444060716 563819167 /nfs/dbraw/zinc/81/91/67/563819167.db2.gz WPQSCEBTRFMRGR-UHFFFAOYSA-N 1 0 375.347 2.885 20 0 GFADRO C[NH+]1CCC(NC(=O)N2CC[C@H](Nc3cccc(Br)c3)C2)CC1 ZINC000366769067 563819381 /nfs/dbraw/zinc/81/93/81/563819381.db2.gz ZPZTYMGERPZVAF-INIZCTEOSA-N 1 0 381.318 2.739 20 0 GFADRO CN(CC[NH+](C)C)S(=O)(=O)c1ccc(Br)c(Cl)c1Cl ZINC000444077898 563820741 /nfs/dbraw/zinc/82/07/41/563820741.db2.gz XUAHRWSHJRSTMX-UHFFFAOYSA-N 1 0 390.130 2.938 20 0 GFADRO Cc1nnc(C[NH2+]C2(Cc3ccc(F)cc3Br)CCOCC2)[nH]1 ZINC000293661557 563820991 /nfs/dbraw/zinc/82/09/91/563820991.db2.gz UBNZRWYLYQSFBW-UHFFFAOYSA-N 1 0 383.265 2.896 20 0 GFADRO COCC1(O)CC[NH+](C[C@](C)(O)c2ccc(Br)cc2Cl)CC1 ZINC000293728563 563822592 /nfs/dbraw/zinc/82/25/92/563822592.db2.gz GIXFBXHVYHFDPK-HNNXBMFYSA-N 1 0 392.721 2.783 20 0 GFADRO COc1cc(OC)c(S(=O)(=O)NCC[N@H+](C)C2CCCC2)cc1Cl ZINC000416392183 563822559 /nfs/dbraw/zinc/82/25/59/563822559.db2.gz SMWHXADBCZLVCB-UHFFFAOYSA-N 1 0 376.906 2.510 20 0 GFADRO CC[N@H+](CCNS(=O)(=O)c1c2ccccc2sc1C(=O)OC)C(C)C ZINC000444172754 563823367 /nfs/dbraw/zinc/82/33/67/563823367.db2.gz BMBHCKLULVKGKK-UHFFFAOYSA-N 1 0 384.523 2.697 20 0 GFADRO CCOC(=O)[C@H](Cc1cc(Cl)cc(Cl)c1)NC(=O)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000444215830 563825109 /nfs/dbraw/zinc/82/51/09/563825109.db2.gz UEOBIUWYWUFFQY-RVKKMQEKSA-N 1 0 385.291 2.583 20 0 GFADRO C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)[C@H]2C[C@@]23CC[NH2+]C3)CC1 ZINC000444269393 563826529 /nfs/dbraw/zinc/82/65/29/563826529.db2.gz OJKZFANCALGECW-LSBZLQRGSA-N 1 0 392.341 2.654 20 0 GFADRO COc1cc(S(=O)(=O)N2C[C@H]([NH3+])Cc3ccccc32)ccc1Br ZINC000416428679 563828043 /nfs/dbraw/zinc/82/80/43/563828043.db2.gz VVSIUWSTXNPREQ-GFCCVEGCSA-N 1 0 397.294 2.536 20 0 GFADRO C[C@@H]1[C@@H](NC(=O)c2nn(C)cc2Br)CC[N@@H+]1Cc1ccccc1 ZINC000293993856 563829082 /nfs/dbraw/zinc/82/90/82/563829082.db2.gz LWLRUZRLWQALSC-DOMZBBRYSA-N 1 0 377.286 2.575 20 0 GFADRO CN(CC1([NH+](C)C)CCC1)C(=O)c1cnc2ccc(Br)cc2c1O ZINC000444373340 563830095 /nfs/dbraw/zinc/83/00/95/563830095.db2.gz UYTDUVLTGPTAPS-UHFFFAOYSA-N 1 0 392.297 2.847 20 0 GFADRO COc1cc(OC)c(S(=O)(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)cc1Cl ZINC000416462001 563832143 /nfs/dbraw/zinc/83/21/43/563832143.db2.gz ZTZNBEJJRKZFNR-LBPRGKRZSA-N 1 0 390.933 2.708 20 0 GFADRO O=C1CCc2cc(Cl)c(S(=O)(=O)N3CCC[C@@H]3CN3CCCC3)cc21 ZINC000367166700 563833959 /nfs/dbraw/zinc/83/39/59/563833959.db2.gz VKRLSWONKPWDSV-CQSZACIVSA-N 1 0 382.913 2.718 20 0 GFADRO C[N@@H+]1CCC[C@H](N2CCN(Cc3nc4cc(Br)ccc4o3)CC2)C1 ZINC000367153472 563833979 /nfs/dbraw/zinc/83/39/79/563833979.db2.gz ZDLRKJMQVASQFB-HNNXBMFYSA-N 1 0 393.329 2.802 20 0 GFADRO CC[NH+]1CCN(CC(=O)N[C@H](c2ccc(F)c(Cl)c2)C(F)(F)F)CC1 ZINC000444768885 563836461 /nfs/dbraw/zinc/83/64/61/563836461.db2.gz XXXKJKQVECWAPQ-OAHLLOKOSA-N 1 0 381.801 2.836 20 0 GFADRO CCO[C@H]1C[C@@](CO)([NH2+]Cc2nc3ccc(Br)cc3n2C)C1(C)C ZINC000444802444 563837659 /nfs/dbraw/zinc/83/76/59/563837659.db2.gz NXGJOYMFVOOKBJ-YJBOKZPZSA-N 1 0 396.329 2.992 20 0 GFADRO C[C@H]1CN(C(=O)Nc2ccc(Br)c(F)c2)CC[N@@H+]1CC(C)(C)O ZINC000444868304 563838386 /nfs/dbraw/zinc/83/83/86/563838386.db2.gz GPOISCUESNVIFO-NSHDSACASA-N 1 0 388.281 2.897 20 0 GFADRO CCN1CC[C@H]([NH2+]C[C@H](C)CS(C)(=O)=O)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000367259220 563838532 /nfs/dbraw/zinc/83/85/32/563838532.db2.gz UXEJXUFWVKRUHK-ZLIFDBKOSA-N 1 0 376.925 2.885 20 0 GFADRO C[NH+](C)CC(C)(C)NS(=O)(=O)c1c(Cl)cc(F)cc1Br ZINC000416506104 563839889 /nfs/dbraw/zinc/83/98/89/563839889.db2.gz FDKKCTFRMHEHQD-UHFFFAOYSA-N 1 0 387.702 2.860 20 0 GFADRO C[N@H+](CCCCNS(=O)(=O)CCc1ccccc1Br)C1CC1 ZINC000416505176 563840123 /nfs/dbraw/zinc/84/01/23/563840123.db2.gz BJFWPIBJJKMUBJ-UHFFFAOYSA-N 1 0 389.359 2.785 20 0 GFADRO Cc1sc(Br)cc1S(=O)(=O)NCCCC[N@@H+](C)C1CC1 ZINC000416508383 563840671 /nfs/dbraw/zinc/84/06/71/563840671.db2.gz RHVVZPVBCIGNLH-UHFFFAOYSA-N 1 0 381.361 2.972 20 0 GFADRO CN(C(=O)COc1ccc(C=O)cc1Br)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000367349432 563841469 /nfs/dbraw/zinc/84/14/69/563841469.db2.gz SDYKTMZZUYEBOX-YIONKMFJSA-N 1 0 395.297 2.724 20 0 GFADRO C[NH+](C)C1(CNC(=O)Cc2cc[nH]c(=O)c2Br)CCCCCC1 ZINC000445250640 563846288 /nfs/dbraw/zinc/84/62/88/563846288.db2.gz OWODETBBNHHRHL-UHFFFAOYSA-N 1 0 384.318 2.863 20 0 GFADRO Cc1ccc(S(=O)(=O)NCC[C@H]2CCC[N@@H+](C)C2)cc1Br ZINC000416548156 563846490 /nfs/dbraw/zinc/84/64/90/563846490.db2.gz ATSUAKRDSBONMO-CYBMUJFWSA-N 1 0 375.332 2.768 20 0 GFADRO C[NH+](C)CCN(Cc1ccsc1)S(=O)(=O)Cc1cc(C(C)(C)C)on1 ZINC000416555745 563847804 /nfs/dbraw/zinc/84/78/04/563847804.db2.gz LCXAJATZOBHXGI-UHFFFAOYSA-N 1 0 385.555 2.927 20 0 GFADRO CCN1CC[NH+](C[C@H](C)CNC(=O)c2cccc(F)c2Br)CC1 ZINC000294611060 563848657 /nfs/dbraw/zinc/84/86/57/563848657.db2.gz DSOGLWYEOKGIBV-CYBMUJFWSA-N 1 0 386.309 2.592 20 0 GFADRO Cc1c(Br)cccc1S(=O)(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000445707219 563852483 /nfs/dbraw/zinc/85/24/83/563852483.db2.gz MHPCQJDAXQACKD-UHFFFAOYSA-N 1 0 375.332 2.862 20 0 GFADRO CCCOc1ccc(S(=O)(=O)N2C[C@@H]([NH+]3CCCC3)[C@@H](SC)C2)cc1 ZINC000445715771 563852645 /nfs/dbraw/zinc/85/26/45/563852645.db2.gz IQTNWNUHAAFXJK-MSOLQXFVSA-N 1 0 384.567 2.676 20 0 GFADRO C[C@@H]([NH2+]C1CCN(Cc2c(F)cccc2Cl)CC1)C1(S(C)(=O)=O)CC1 ZINC000367704200 563852789 /nfs/dbraw/zinc/85/27/89/563852789.db2.gz DUKLKORBKPRPKV-CYBMUJFWSA-N 1 0 388.936 2.999 20 0 GFADRO COC(=O)C[C@H]1CSCC[N@@H+]1CCOc1cc(F)cc(Br)c1 ZINC000445813358 563854635 /nfs/dbraw/zinc/85/46/35/563854635.db2.gz HMCIJQBOOYJQBZ-ZDUSSCGKSA-N 1 0 392.290 2.948 20 0 GFADRO C[N@H+](CCN1C(=O)NC(C)(C)C1=O)[C@H]1CCOc2ccc(Br)cc21 ZINC000445895878 563855743 /nfs/dbraw/zinc/85/57/43/563855743.db2.gz WEWJMNIQUBRKMY-ZDUSSCGKSA-N 1 0 396.285 2.535 20 0 GFADRO CC(C)[C@@H](CC(F)(F)F)[NH2+]CC(=O)N1CCN(Cc2cccs2)CC1 ZINC000445891300 563855845 /nfs/dbraw/zinc/85/58/45/563855845.db2.gz UBICCLWEQHYYRZ-OAHLLOKOSA-N 1 0 377.476 2.959 20 0 GFADRO C[C@H](CO)[N@@H+]1CCCN(c2ccc(-c3ccc(Br)s3)nn2)CC1 ZINC000367827435 563856812 /nfs/dbraw/zinc/85/68/12/563856812.db2.gz VWOSQCVBFWXGND-GFCCVEGCSA-N 1 0 397.342 2.861 20 0 GFADRO CSc1nnc(CNC(=O)NCc2ccccc2C[NH+]2CCCC2)s1 ZINC000446087460 563858303 /nfs/dbraw/zinc/85/83/03/563858303.db2.gz ZDQPHFFIVVTHRX-UHFFFAOYSA-N 1 0 377.539 2.855 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N(C)CC2([NH+](C)C)CCC2)c(Br)c1 ZINC000446161626 563859592 /nfs/dbraw/zinc/85/95/92/563859592.db2.gz MWWYUXXWNQJOON-UHFFFAOYSA-N 1 0 396.329 2.947 20 0 GFADRO C[C@H](Cc1ccc(F)cc1Br)[NH2+][C@@H]1CCN(C2CCOCC2)C1=O ZINC000367962204 563860819 /nfs/dbraw/zinc/86/08/19/563860819.db2.gz LBEWDJGUZLANRF-SJKOYZFVSA-N 1 0 399.304 2.889 20 0 GFADRO C[C@@H](NC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(Cl)cc1 ZINC000416827612 563861677 /nfs/dbraw/zinc/86/16/77/563861677.db2.gz LFFQRIKARFCWOJ-RISCZKNCSA-N 1 0 378.826 2.536 20 0 GFADRO CN1C(=O)CC[C@H]([NH2+]Cc2cnc(C3OCCO3)s2)[C@@H]1c1cccs1 ZINC000368030478 563862097 /nfs/dbraw/zinc/86/20/97/563862097.db2.gz NZOVLCBHHKAFPI-SWLSCSKDSA-N 1 0 379.507 2.702 20 0 GFADRO CSc1ccc([C@H](C)N2CCC([NH2+][C@@H]3CCS(=O)(=O)C3)CC2)cc1F ZINC000368046160 563862712 /nfs/dbraw/zinc/86/27/12/563862712.db2.gz YYQWOJIMWPIXTQ-XJKSGUPXSA-N 1 0 386.558 2.850 20 0 GFADRO O=C(N[C@@H]1CCSc2ccc(Cl)cc21)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000416902099 563863017 /nfs/dbraw/zinc/86/30/17/563863017.db2.gz BHTQYQVTACIHHA-GDBMZVCRSA-N 1 0 380.945 2.566 20 0 GFADRO C[C@@H](CC(=O)N(C)C)[NH2+]Cc1ccc(Cl)cc1I ZINC000446847290 563869263 /nfs/dbraw/zinc/86/92/63/563869263.db2.gz KXBFEBHLXYRREU-VIFPVBQESA-N 1 0 380.657 2.901 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000446921674 563870622 /nfs/dbraw/zinc/87/06/22/563870622.db2.gz IAEGTKSQGOUORE-BMFZPTHFSA-N 1 0 393.336 2.866 20 0 GFADRO Cc1cc(Br)cn2c(C[NH2+][C@H]3CCC(=O)N[C@@H]3C3CC3)cnc12 ZINC000368500838 563872381 /nfs/dbraw/zinc/87/23/81/563872381.db2.gz YPHAMYDBBDTWFN-GOEBONIOSA-N 1 0 377.286 2.552 20 0 GFADRO [NH2+]=C(NO)[C@@H]1CCCCN1Cc1noc(Cc2ccc(Br)cc2)n1 ZINC000368527697 563873367 /nfs/dbraw/zinc/87/33/67/563873367.db2.gz ZZLZZSNEQALGNQ-ZDUSSCGKSA-N 1 0 394.273 2.733 20 0 GFADRO COc1ccc(Br)c(C[NH2+][C@@H]2CCCN(c3ccnn3C)C2)c1 ZINC000447070932 563873972 /nfs/dbraw/zinc/87/39/72/563873972.db2.gz YRYKORGLJDYIPE-CQSZACIVSA-N 1 0 379.302 2.950 20 0 GFADRO Cn1nccc1N1CCC[C@@H]([NH2+]Cc2cc(Br)cc3c2OCC3)C1 ZINC000447067342 563874166 /nfs/dbraw/zinc/87/41/66/563874166.db2.gz NIIHROVQEVHZAI-MRXNPFEDSA-N 1 0 391.313 2.876 20 0 GFADRO Brc1ccc(-n2cc(C[NH2+]Cc3cnc4cnccn34)cn2)cc1 ZINC000447098658 563874842 /nfs/dbraw/zinc/87/48/42/563874842.db2.gz OUDYZMKGTSKDGX-UHFFFAOYSA-N 1 0 383.253 2.967 20 0 GFADRO CC(C)[C@H]([NH3+])CNC(=O)NC[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000417260085 563875294 /nfs/dbraw/zinc/87/52/94/563875294.db2.gz IIYDIXTVTNUNDC-CZUORRHYSA-N 1 0 383.334 2.558 20 0 GFADRO CC1(C)CN(C(=O)NC[C@H]2CCN(c3cccc(Br)c3)C2)CC[NH2+]1 ZINC000417265873 563875861 /nfs/dbraw/zinc/87/58/61/563875861.db2.gz VPBFDPRIWJVZMH-CQSZACIVSA-N 1 0 395.345 2.669 20 0 GFADRO C[C@H](CCC[NH3+])NC(=O)NC[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000417262348 563875878 /nfs/dbraw/zinc/87/58/78/563875878.db2.gz NEDHLTVMIBNZCL-KGLIPLIRSA-N 1 0 383.334 2.702 20 0 GFADRO CN(CC[NH+](C)C)C(=O)Nc1c(F)cc(I)cc1F ZINC000417292977 563877667 /nfs/dbraw/zinc/87/76/67/563877667.db2.gz YLKHBSGRMCBFCT-UHFFFAOYSA-N 1 0 383.180 2.595 20 0 GFADRO [NH3+][C@H]1CCC[C@@H](CNC(=O)NCc2cc(Br)c3c(c2)OCCO3)C1 ZINC000417299047 563877752 /nfs/dbraw/zinc/87/77/52/563877752.db2.gz LVDYPZKWNZAPLN-YPMHNXCESA-N 1 0 398.301 2.537 20 0 GFADRO C[C@H](CC[NH3+])NS(=O)(=O)c1csc(-c2cccc(Br)c2)n1 ZINC000447236488 563877911 /nfs/dbraw/zinc/87/79/11/563877911.db2.gz DBUMZXRGRDENFM-SECBINFHSA-N 1 0 390.328 2.588 20 0 GFADRO Cc1ccc(NC(=O)CC[NH2+][C@H](CO)c2cccc(Br)c2)nc1 ZINC000447293852 563879058 /nfs/dbraw/zinc/87/90/58/563879058.db2.gz CMPAZONZBNLXAV-OAHLLOKOSA-N 1 0 378.270 2.804 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)NCc2cc(Br)ccc2OC(F)F)C1 ZINC000417407727 563879294 /nfs/dbraw/zinc/87/92/94/563879294.db2.gz NQQNQLOACCHURC-ZJUUUORDSA-N 1 0 392.244 2.929 20 0 GFADRO Cc1cc(NC(=O)NC[C@H]2CCC[N@@H+]2CCCO)cc(F)c1Br ZINC000417524454 563881696 /nfs/dbraw/zinc/88/16/96/563881696.db2.gz JRBSDWQEKKXUBF-CYBMUJFWSA-N 1 0 388.281 2.865 20 0 GFADRO C[C@@H](CO)[N@@H+]1CCCN(C(=O)c2cc(Cl)ccc2Br)CC1 ZINC000368950335 563882845 /nfs/dbraw/zinc/88/28/45/563882845.db2.gz MGNVGVQSBLPSSC-NSHDSACASA-N 1 0 375.694 2.631 20 0 GFADRO C[C@H](Cc1ccc(Br)cc1)C(=O)N1CCC[N@@H+]([C@H](C)CO)CC1 ZINC000368976206 563883532 /nfs/dbraw/zinc/88/35/32/563883532.db2.gz USZLGZXMLDATCG-HUUCEWRRSA-N 1 0 383.330 2.543 20 0 GFADRO O=C(N[C@H]1CCN(c2ccccc2Br)C1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000417600830 563886149 /nfs/dbraw/zinc/88/61/49/563886149.db2.gz KGMBCBSDFZUSAS-ILXRZTDVSA-N 1 0 393.329 2.564 20 0 GFADRO CC[C@@H](CNC(=O)NC[C@@H]1C[NH2+]CCCO1)Cc1cccc(Br)c1 ZINC000417714784 563887499 /nfs/dbraw/zinc/88/74/99/563887499.db2.gz CPOQPJGWAKOBLR-PBHICJAKSA-N 1 0 398.345 2.696 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2ccc(OC(F)F)c(F)c2)C[C@H]1C ZINC000447868782 563888811 /nfs/dbraw/zinc/88/88/11/563888811.db2.gz MWPQGQKKZBIRRN-NEPJUHHUSA-N 1 0 380.432 2.920 20 0 GFADRO CN(CC[C@@H]1CCCC[N@@H+]1C)S(=O)(=O)c1ccc(OC(F)F)c(F)c1 ZINC000447870101 563888844 /nfs/dbraw/zinc/88/88/44/563888844.db2.gz WZFRNRFMWSWKBE-LBPRGKRZSA-N 1 0 380.432 2.922 20 0 GFADRO C[C@@H]([NH3+])C1CCN(C(=O)NC[C@@H](C)Oc2ccc(Br)cc2)CC1 ZINC000417782546 563889216 /nfs/dbraw/zinc/88/92/16/563889216.db2.gz YDOWHONEDUXGED-CHWSQXEVSA-N 1 0 384.318 2.985 20 0 GFADRO C[C@H](CNC(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1)Oc1cccc(Br)c1 ZINC000417788980 563889408 /nfs/dbraw/zinc/88/94/08/563889408.db2.gz GXDYTYUDCRAEQS-OQUILHJVSA-N 1 0 396.329 2.985 20 0 GFADRO COCCn1cc(C[N@@H+]2CC[C@H](Nc3cccc(Br)c3)C2)cn1 ZINC000369291452 563891313 /nfs/dbraw/zinc/89/13/13/563891313.db2.gz ZWCLRLOSTOBSOK-KRWDZBQOSA-N 1 0 379.302 2.978 20 0 GFADRO Cc1nn(C)c(C[NH2+]CCCNC(=O)c2cccc(F)c2)c1Br ZINC000447936229 563891324 /nfs/dbraw/zinc/89/13/24/563891324.db2.gz NLLBNTHMJAJGDS-UHFFFAOYSA-N 1 0 383.265 2.540 20 0 GFADRO C[C@H](Cc1cc(Br)ccc1F)NC(=O)N[C@H](CC[NH3+])C(F)F ZINC000417951297 563892252 /nfs/dbraw/zinc/89/22/52/563892252.db2.gz YQQFFANXVZEAGU-PRHODGIISA-N 1 0 382.224 2.801 20 0 GFADRO O=C(c1nn(-c2ccc(F)cc2)cc1Br)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000369337139 563892664 /nfs/dbraw/zinc/89/26/64/563892664.db2.gz AEWSXLJRBMSADP-IAQYHMDHSA-N 1 0 393.260 2.598 20 0 GFADRO O=C(c1nn(-c2ccc(F)cc2)cc1Br)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000369337141 563892683 /nfs/dbraw/zinc/89/26/83/563892683.db2.gz AEWSXLJRBMSADP-XHDPSFHLSA-N 1 0 393.260 2.598 20 0 GFADRO CO[C@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)NCC[C@H]1CC[NH2+]C1 ZINC000417973732 563892787 /nfs/dbraw/zinc/89/27/87/563892787.db2.gz CIUSEVXDMNABSY-IOASZLSFSA-N 1 0 384.318 2.824 20 0 GFADRO FC(F)(F)c1cnc(N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)c(Cl)c1 ZINC000369345194 563893299 /nfs/dbraw/zinc/89/32/99/563893299.db2.gz JTIGHNDNFCFETK-CYBMUJFWSA-N 1 0 378.826 2.572 20 0 GFADRO O[C@H](C[NH2+]C1CC2(CCC2)C1)COc1ccc(I)cc1 ZINC000448067477 563893551 /nfs/dbraw/zinc/89/35/51/563893551.db2.gz QJJYUGQVWDINKC-CQSZACIVSA-N 1 0 387.261 2.953 20 0 GFADRO CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000417977674 563893582 /nfs/dbraw/zinc/89/35/82/563893582.db2.gz GFAUSVVQACYOCS-RKLWJJNISA-N 1 0 384.318 2.822 20 0 GFADRO O=C(N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000417976845 563893757 /nfs/dbraw/zinc/89/37/57/563893757.db2.gz BETBWPDBORHHBJ-AHIWAGSCSA-N 1 0 383.323 2.966 20 0 GFADRO Cc1sc(=O)n(CCC(=O)NC2CC[NH+](Cc3cccs3)CC2)c1C ZINC000369364880 563893970 /nfs/dbraw/zinc/89/39/70/563893970.db2.gz VYOQEBYSWPPGIX-UHFFFAOYSA-N 1 0 379.551 2.759 20 0 GFADRO CCC[N@H+](CC)CCNC(=O)Nc1ccnn1-c1ccc(Br)cn1 ZINC000448116648 563894071 /nfs/dbraw/zinc/89/40/71/563894071.db2.gz QDICHDCDPABSIW-UHFFFAOYSA-N 1 0 395.305 2.883 20 0 GFADRO COc1cc(Br)ccc1CCCNC(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000417999434 563894628 /nfs/dbraw/zinc/89/46/28/563894628.db2.gz IALOBMKDIWMDDD-CABCVRRESA-N 1 0 384.318 2.959 20 0 GFADRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)Nc2nnc(CC(F)(F)F)s2)C1 ZINC000448155914 563894807 /nfs/dbraw/zinc/89/48/07/563894807.db2.gz MWAKQIRUENNLHI-NSHDSACASA-N 1 0 379.452 3.132 20 0 GFADRO C[C@H]1CCN(C(=O)NCc2cc(Br)cc3c2OCC3)C[C@H]1C[NH3+] ZINC000418012876 563895541 /nfs/dbraw/zinc/89/55/41/563895541.db2.gz MRDLXQJLLBZPRV-SMDDNHRTSA-N 1 0 382.302 2.510 20 0 GFADRO Cc1ccc(Br)c(NC(=O)C(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)c1 ZINC000448328619 563895894 /nfs/dbraw/zinc/89/58/94/563895894.db2.gz QZOTUCSRLDQIJL-HNNXBMFYSA-N 1 0 396.329 2.933 20 0 GFADRO C[C@H](C[NH3+])N(C)C(=O)NCc1cc(Br)ccc1Br ZINC000418040954 563896559 /nfs/dbraw/zinc/89/65/59/563896559.db2.gz JHLPMPVEXUGJDL-MRVPVSSYSA-N 1 0 379.096 2.700 20 0 GFADRO COC(=O)[C@](C)(C[NH2+]Cc1c(Br)c(C)nn1C)c1ccc(F)cc1 ZINC000448369645 563896562 /nfs/dbraw/zinc/89/65/62/563896562.db2.gz APRZONUCYKOTPD-QGZVFWFLSA-N 1 0 398.276 2.851 20 0 GFADRO [NH3+]C[C@H]1CCN(C(=O)NCc2cc(Br)ccc2Br)C1 ZINC000418045763 563896825 /nfs/dbraw/zinc/89/68/25/563896825.db2.gz ODKSJGQQGOTARJ-SECBINFHSA-N 1 0 391.107 2.702 20 0 GFADRO O=C(N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1)N[C@@H]1C[NH2+]CCC1(F)F ZINC000418055408 563896923 /nfs/dbraw/zinc/89/69/23/563896923.db2.gz BGFJXRHGEBFLDZ-BXUZGUMPSA-N 1 0 393.265 2.869 20 0 GFADRO CCn1c(CNC(=O)N2CC[NH2+][C@@H](C)[C@@H]2C)nc2cc(Br)ccc21 ZINC000418064108 563897301 /nfs/dbraw/zinc/89/73/01/563897301.db2.gz IWQPEKLSZKSUCS-RYUDHWBXSA-N 1 0 394.317 2.711 20 0 GFADRO CCn1c(CNC(=O)N2CC[C@@H]([NH3+])[C@H](C)C2)nc2cc(Br)ccc21 ZINC000418060778 563897407 /nfs/dbraw/zinc/89/74/07/563897407.db2.gz CZSYJMICCDGHKP-DGCLKSJQSA-N 1 0 394.317 2.697 20 0 GFADRO CCn1c(CNC(=O)N[C@@H]2CC[NH2+][C@H](C)C2)nc2cc(Br)ccc21 ZINC000418072756 563897837 /nfs/dbraw/zinc/89/78/37/563897837.db2.gz YCNBBOOZJHGTHC-DGCLKSJQSA-N 1 0 394.317 2.758 20 0 GFADRO CC(C)C[C@@H](C[NH3+])NC(=O)N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000418077754 563897867 /nfs/dbraw/zinc/89/78/67/563897867.db2.gz ILQNOQDJZQBYJD-GXTWGEPZSA-N 1 0 387.311 2.771 20 0 GFADRO CCn1c(CNC(=O)N[C@H]2CC[NH2+][C@H](C)C2)nc2cc(Br)ccc21 ZINC000418072765 563897881 /nfs/dbraw/zinc/89/78/81/563897881.db2.gz YCNBBOOZJHGTHC-YPMHNXCESA-N 1 0 394.317 2.758 20 0 GFADRO C[C@H](CCC[NH3+])NC(=O)NCc1ccc(Cl)cc1I ZINC000418091570 563898459 /nfs/dbraw/zinc/89/84/59/563898459.db2.gz PZHDKNHNFQVTMQ-SECBINFHSA-N 1 0 395.672 2.871 20 0 GFADRO O=C(N[C@@H]1CSc2ccc(Br)cc21)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000418090006 563898536 /nfs/dbraw/zinc/89/85/36/563898536.db2.gz BZVRMBBOGLEZLP-JTNHKYCSSA-N 1 0 382.327 2.847 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)NCc2cnn(-c3ccc(Br)cc3)c2)C1 ZINC000418097460 563898942 /nfs/dbraw/zinc/89/89/42/563898942.db2.gz YOFBLCRPSBVDDN-GXTWGEPZSA-N 1 0 392.301 2.514 20 0 GFADRO Cc1ccc(Br)cc1CC(=O)NCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000448628857 563899136 /nfs/dbraw/zinc/89/91/36/563899136.db2.gz UJGWMDKNJUUHQE-GJZGRUSLSA-N 1 0 383.330 2.916 20 0 GFADRO Cc1ccc(CC(=O)NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c(Br)c1 ZINC000448627212 563899247 /nfs/dbraw/zinc/89/92/47/563899247.db2.gz HHDJUEICULNWQB-GASCZTMLSA-N 1 0 383.330 2.916 20 0 GFADRO O=C(N[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000418143838 563899867 /nfs/dbraw/zinc/89/98/67/563899867.db2.gz JDUMQRAQPFJNLD-UKPHBRMFSA-N 1 0 383.323 2.538 20 0 GFADRO [NH3+]CC[C@@H](NC(=O)N[C@@H]1CCOc2c(Br)cccc21)C(F)F ZINC000418168295 563900280 /nfs/dbraw/zinc/90/02/80/563900280.db2.gz WPZKWVMWFUCQJO-GHMZBOCLSA-N 1 0 378.217 2.554 20 0 GFADRO C[NH2+]C[C@@H](C)CNC(=O)NCc1ccc(I)c(Cl)c1 ZINC000418157188 563900370 /nfs/dbraw/zinc/90/03/70/563900370.db2.gz MJYWMTKONGKVMS-SECBINFHSA-N 1 0 395.672 2.599 20 0 GFADRO COc1cc(Br)ccc1CNC(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000418153966 563900419 /nfs/dbraw/zinc/90/04/19/563900419.db2.gz VILCTZNVJYSHJI-AEGPPILISA-N 1 0 382.302 2.727 20 0 GFADRO [NH3+]CC[C@H](NC(=O)N[C@H]1CCOc2c(Br)cccc21)C(F)F ZINC000418168300 563900526 /nfs/dbraw/zinc/90/05/26/563900526.db2.gz WPZKWVMWFUCQJO-QWRGUYRKSA-N 1 0 378.217 2.554 20 0 GFADRO [NH3+]CCCOC1CCN(C(=O)NCC(F)(F)c2ccc(Cl)cc2)CC1 ZINC000418184988 563900693 /nfs/dbraw/zinc/90/06/93/563900693.db2.gz RJXZIDITHFLTIK-UHFFFAOYSA-N 1 0 375.847 2.971 20 0 GFADRO O=C(NCCCn1cc(Br)cn1)N1CCCC[C@H]1[C@H]1CCC[NH2+]C1 ZINC000418191461 563900747 /nfs/dbraw/zinc/90/07/47/563900747.db2.gz KVYFJHJQDRPRIX-HOCLYGCPSA-N 1 0 398.349 2.599 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)NCc2cc(F)c(F)cc2Br)C1 ZINC000418189174 563900765 /nfs/dbraw/zinc/90/07/65/563900765.db2.gz XHBJPMFQBZDOOS-NXEZZACHSA-N 1 0 376.245 2.996 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)NCCc2c[nH]c3cccc(Br)c23)CC[NH2+]1 ZINC000418192984 563900812 /nfs/dbraw/zinc/90/08/12/563900812.db2.gz BFDGQDACIRMSPG-YPMHNXCESA-N 1 0 379.302 2.913 20 0 GFADRO O=C(NCc1cc(F)c(F)cc1Br)N[C@@H]1C[NH2+]CCC1(F)F ZINC000418173461 563900869 /nfs/dbraw/zinc/90/08/69/563900869.db2.gz CJFNRMXCSURVJH-LLVKDONJSA-N 1 0 384.171 2.524 20 0 GFADRO CC[N@@H+]1CCC[C@@H](CNC(=O)c2cc(OC)c(OC)cc2Br)C1 ZINC000448822830 563901581 /nfs/dbraw/zinc/90/15/81/563901581.db2.gz LWLPSQPTXWTQEP-LBPRGKRZSA-N 1 0 385.302 2.928 20 0 GFADRO O=C(c1ccccc1-n1cc(Br)cn1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000448810645 563901626 /nfs/dbraw/zinc/90/16/26/563901626.db2.gz ISJYNHZMFFLZFE-OAHLLOKOSA-N 1 0 389.297 2.945 20 0 GFADRO CC[NH+]1CCC(N(C)C(=O)c2ccc(I)cc2F)CC1 ZINC000448877655 563902649 /nfs/dbraw/zinc/90/26/49/563902649.db2.gz INENBVCZMOOYGT-UHFFFAOYSA-N 1 0 390.240 2.987 20 0 GFADRO C[NH+](C)[C@H]1CCCN(C(=O)c2ccccc2-n2cc(Br)cn2)C1 ZINC000448882546 563902669 /nfs/dbraw/zinc/90/26/69/563902669.db2.gz OHIDASHQGJQMCZ-AWEZNQCLSA-N 1 0 377.286 2.801 20 0 GFADRO C[C@H]1CC[N@H+](C)CCN1C(=O)c1ccc(I)cc1F ZINC000448981837 563904385 /nfs/dbraw/zinc/90/43/85/563904385.db2.gz VMHDDKRRTNRCRV-JTQLQIEISA-N 1 0 376.213 2.597 20 0 GFADRO CCS(=O)(=O)NCC[NH2+]Cc1ccccc1Sc1cccc(OC)c1 ZINC000449101652 563906950 /nfs/dbraw/zinc/90/69/50/563906950.db2.gz GGAKCYINJVNRPP-UHFFFAOYSA-N 1 0 380.535 2.875 20 0 GFADRO CN(C)C(=O)[C@@H]1CCCN1CCC[NH2+]Cc1cc(F)cc(Br)c1 ZINC000449110387 563907100 /nfs/dbraw/zinc/90/71/00/563907100.db2.gz CPTRZLNTFHGFJW-INIZCTEOSA-N 1 0 386.309 2.621 20 0 GFADRO Cc1cc(S(=O)(=O)NCC[NH2+]Cc2ccnn2C2CCCC2)c(C)s1 ZINC000449207110 563908213 /nfs/dbraw/zinc/90/82/13/563908213.db2.gz MTJDLUORVTZJHQ-UHFFFAOYSA-N 1 0 382.555 2.745 20 0 GFADRO C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CCn1cnnc1C1CC1 ZINC000537970436 564178275 /nfs/dbraw/zinc/17/82/75/564178275.db2.gz VEMLKDPTWMWFAC-LBPRGKRZSA-N 1 0 392.301 2.925 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)CCOc2ccc(Cl)cc2Cl)CC12CCOCC2 ZINC000563164045 564178981 /nfs/dbraw/zinc/17/89/81/564178981.db2.gz XDUZJSSTWJSPQZ-ZDUSSCGKSA-N 1 0 387.307 2.976 20 0 GFADRO C[C@H]([NH2+]C[C@@H](O)C1CCOCC1)c1ccc(I)cc1 ZINC000537980594 564179075 /nfs/dbraw/zinc/17/90/75/564179075.db2.gz DSRCAGKZLJITDL-XHDPSFHLSA-N 1 0 375.250 2.729 20 0 GFADRO COC(=O)COC[C@H](C)[NH2+]Cc1ccc(I)c(Cl)c1 ZINC000449306482 564179494 /nfs/dbraw/zinc/17/94/94/564179494.db2.gz LPKUWIPHRLWCQP-VIFPVBQESA-N 1 0 397.640 2.612 20 0 GFADRO C[C@@H]1C[N@H+](C[C@H](O)COc2cc(F)cc(Br)c2)C[C@H](C2CC2)O1 ZINC000470905369 564180132 /nfs/dbraw/zinc/18/01/32/564180132.db2.gz GIWWRPBGIRODIP-XQAQDONZSA-N 1 0 388.277 2.827 20 0 GFADRO C[N@H+](CC1CC1)C[C@@H]1CCN([C@@H](C(N)=O)c2ccc(Br)cc2)C1 ZINC000470958535 564181455 /nfs/dbraw/zinc/18/14/55/564181455.db2.gz KHGYFHKIOONWRE-WMLDXEAASA-N 1 0 380.330 2.639 20 0 GFADRO Cc1csc(N2CCC([NH2+]CCn3cc(Br)ccc3=O)CC2)n1 ZINC000449374008 564181872 /nfs/dbraw/zinc/18/18/72/564181872.db2.gz DORXZNLSZHIMRF-UHFFFAOYSA-N 1 0 397.342 2.634 20 0 GFADRO COC(=O)CC1([NH2+]Cc2cc(Br)cc(Br)c2N)CC1 ZINC000563254994 564182365 /nfs/dbraw/zinc/18/23/65/564182365.db2.gz BFHDUMXPCRJMNL-UHFFFAOYSA-N 1 0 392.091 2.979 20 0 GFADRO OCCCN1CCC[C@@H]1C[NH2+]Cc1cc(Br)c2c(c1)OCCCO2 ZINC000449388028 564182894 /nfs/dbraw/zinc/18/28/94/564182894.db2.gz NTVFTDBYLVYWDR-OAHLLOKOSA-N 1 0 399.329 2.547 20 0 GFADRO CCOc1cc(C[NH2+]CC[C@](C)(O)COC)cc(Br)c1OC ZINC000449380383 564183266 /nfs/dbraw/zinc/18/32/66/564183266.db2.gz MRLQFBDCOYHPNF-INIZCTEOSA-N 1 0 376.291 2.734 20 0 GFADRO C[C@@H](CC(=O)Nc1ccc(F)cc1)[NH2+]CCn1cc(Br)ccc1=O ZINC000449379622 564183364 /nfs/dbraw/zinc/18/33/64/564183364.db2.gz UIARFFBMYHFLKN-LBPRGKRZSA-N 1 0 396.260 2.757 20 0 GFADRO OCCCN1CCC[C@@H]1C[NH2+]Cc1cc(Br)ccc1OC(F)F ZINC000449386864 564183514 /nfs/dbraw/zinc/18/35/14/564183514.db2.gz JOKKLNPITIPQKI-CQSZACIVSA-N 1 0 393.272 2.987 20 0 GFADRO C[C@@H]1CN(S(=O)(=O)c2ccc(Br)c(Cl)c2)C[C@H](C)N1C ZINC000563289272 564184118 /nfs/dbraw/zinc/18/41/18/564184118.db2.gz LLHZEUFJNXQWDZ-AOOOYVTPSA-N 1 0 381.723 2.816 20 0 GFADRO OCC[N@@H+]1CCCC[C@H]1CNCc1cn(-c2ccc(Cl)cc2Cl)nn1 ZINC000449397891 564184351 /nfs/dbraw/zinc/18/43/51/564184351.db2.gz WJQDNPTUPXPNNG-HNNXBMFYSA-N 1 0 384.311 2.511 20 0 GFADRO OCCCN1CCC[C@H]([NH2+]Cc2cccc(Br)c2OC(F)F)C1 ZINC000449398438 564184397 /nfs/dbraw/zinc/18/43/97/564184397.db2.gz UXZYAQNYHMXTAT-ZDUSSCGKSA-N 1 0 393.272 2.987 20 0 GFADRO COc1cc(C[NH2+]CCC(C)(C)CO)cc(I)c1OC ZINC000449407281 564184465 /nfs/dbraw/zinc/18/44/65/564184465.db2.gz GMHYPCVJHLISIO-UHFFFAOYSA-N 1 0 393.265 2.807 20 0 GFADRO O=S(=O)(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1c(F)cccc1OC(F)(F)F ZINC000563293179 564184544 /nfs/dbraw/zinc/18/45/44/564184544.db2.gz SNDZOQSQVINUBL-VXGBXAGGSA-N 1 0 382.379 2.629 20 0 GFADRO C[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H]3Cc4cc(Br)ccc4O3)C2)C1 ZINC000505502610 564184895 /nfs/dbraw/zinc/18/48/95/564184895.db2.gz FBZIAKOGSPGUJL-AEFFLSMTSA-N 1 0 379.298 2.697 20 0 GFADRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)[C@H]1Cc2cc(Br)ccc2O1 ZINC000471087506 564185010 /nfs/dbraw/zinc/18/50/10/564185010.db2.gz TZHUFHRLIRGWLF-SJKOYZFVSA-N 1 0 381.314 2.941 20 0 GFADRO CSc1ccc(C[N@H+](C)CCN(C)c2ccc(S(N)(=O)=O)cc2)cc1 ZINC000449419393 564185662 /nfs/dbraw/zinc/18/56/62/564185662.db2.gz AVOVLPDMDYQCMD-UHFFFAOYSA-N 1 0 379.551 2.624 20 0 GFADRO C[C@@H]1CC(C)(C)C[C@@](CO)([NH2+]CC(=O)Nc2ccc(Br)cn2)C1 ZINC000471158717 564187228 /nfs/dbraw/zinc/18/72/28/564187228.db2.gz AHBUDIXGSCMLGX-PXAZEXFGSA-N 1 0 384.318 2.950 20 0 GFADRO CO[C@@H]1COCC[C@@H]1C[NH2+][C@@H](C)CC(=O)Nc1cccc(Br)c1 ZINC000449463091 564187676 /nfs/dbraw/zinc/18/76/76/564187676.db2.gz WGNPAXVNJTWEOJ-WOSRLPQWSA-N 1 0 385.302 2.807 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)N1CC[C@H](C(F)(F)F)[C@H](CO)C1)c1cccs1 ZINC000505704623 564188600 /nfs/dbraw/zinc/18/86/00/564188600.db2.gz FFSOLWDUJNMNDF-RWMBFGLXSA-N 1 0 379.448 2.553 20 0 GFADRO CS[C@@H]1CN(CC(=O)N2CC[C@H](C)Sc3ccccc32)C[C@@H]1[NH+](C)C ZINC000538376435 564189082 /nfs/dbraw/zinc/18/90/82/564189082.db2.gz GLFDFMCTQCWZTN-QILLFSRXSA-N 1 0 379.595 2.881 20 0 GFADRO CSCCCCNC(=O)C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000505779507 564189969 /nfs/dbraw/zinc/18/99/69/564189969.db2.gz XIRAUXLHUOXFRN-GOEBONIOSA-N 1 0 383.583 2.507 20 0 GFADRO COC(=O)c1ccc(C[NH2+]C[C@@H](CO)Cc2cccc(Br)c2C)[nH]1 ZINC000449683049 564195813 /nfs/dbraw/zinc/19/58/13/564195813.db2.gz MXZCHRVEDAJYTG-ZDUSSCGKSA-N 1 0 395.297 2.813 20 0 GFADRO C[C@@H]1C[C@H]([NH2+]C[C@H](CO)Cc2ccc(F)c(Br)c2)CN1C1CC1 ZINC000449686173 564196847 /nfs/dbraw/zinc/19/68/47/564196847.db2.gz VKXNNYOHRZWTST-YUELXQCFSA-N 1 0 385.321 2.954 20 0 GFADRO Cc1c(Br)ccnc1NC(=O)N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC000563551625 564197016 /nfs/dbraw/zinc/19/70/16/564197016.db2.gz QUWORSQESCSMPK-LBPRGKRZSA-N 1 0 397.317 2.870 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C[NH+]1CCC(OCCO)CC1 ZINC000538725262 564197986 /nfs/dbraw/zinc/19/79/86/564197986.db2.gz JERSXWLATUGNKK-UHFFFAOYSA-N 1 0 394.313 2.917 20 0 GFADRO COCCN(Cc1cc(Br)cs1)C(=O)NCC1CC[NH2+]CC1 ZINC000563595169 564198102 /nfs/dbraw/zinc/19/81/02/564198102.db2.gz OLDAGVOFEXQGJM-UHFFFAOYSA-N 1 0 390.347 2.668 20 0 GFADRO O=C(NCc1cc(Br)cc2c1OCC2)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000563584837 564198262 /nfs/dbraw/zinc/19/82/62/564198262.db2.gz PAVNIUKNYVNEAI-WOSRLPQWSA-N 1 0 394.313 2.571 20 0 GFADRO CN1CCC[C@@H]([NH2+]CC2(c3ccc(Br)cc3)CCOCC2)C1=O ZINC000538706558 564198350 /nfs/dbraw/zinc/19/83/50/564198350.db2.gz MCQURSYBHMHRCZ-MRXNPFEDSA-N 1 0 381.314 2.708 20 0 GFADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc(-n4cc(Br)cn4)cc3)[C@@H]2C1 ZINC000538713997 564198445 /nfs/dbraw/zinc/19/84/45/564198445.db2.gz FZCFMTIICNWGKT-CXAGYDPISA-N 1 0 389.297 2.801 20 0 GFADRO C[NH2+][C@H](CC(C)(C)C)C(=O)NCC(=O)Nc1cc(Br)ccc1C ZINC000563621210 564199036 /nfs/dbraw/zinc/19/90/36/564199036.db2.gz ZJGQVILRSOVGJK-CQSZACIVSA-N 1 0 384.318 2.836 20 0 GFADRO NS(=O)(=O)C[C@H]1CCC[N@@H+]1Cc1ccc(-c2ccc(Br)cc2)o1 ZINC000538739460 564199058 /nfs/dbraw/zinc/19/90/58/564199058.db2.gz JFZRSCAWRQCBNM-CQSZACIVSA-N 1 0 399.310 2.962 20 0 GFADRO C[NH+](C)CCOCCNC(=O)N1CC=C(c2cccc(Br)c2)CC1 ZINC000471634738 564200057 /nfs/dbraw/zinc/20/00/57/564200057.db2.gz LILFCJARANGTOV-UHFFFAOYSA-N 1 0 396.329 2.826 20 0 GFADRO C[NH+](C)CCn1ccc(C(=O)N2CCc3c(F)ccc(Br)c3C2)n1 ZINC000563634093 564200353 /nfs/dbraw/zinc/20/03/53/564200353.db2.gz COHUTDSNCHUOSS-UHFFFAOYSA-N 1 0 395.276 2.545 20 0 GFADRO COCC[N@@H+]1CC[C@H](NC(=O)N(C)[C@H](C)c2ccccc2Br)C1 ZINC000506318111 564200619 /nfs/dbraw/zinc/20/06/19/564200619.db2.gz PKVRKWZWGPIGFB-KGLIPLIRSA-N 1 0 384.318 2.872 20 0 GFADRO Cc1ccc(C[N@@H+]2CCC[C@@](O)(C(=O)N3CCCC3)C2)c(Br)c1 ZINC000449765421 564200773 /nfs/dbraw/zinc/20/07/73/564200773.db2.gz IEAGQYJWZIVNJM-SFHVURJKSA-N 1 0 381.314 2.707 20 0 GFADRO Cc1nc(-c2ccc(CCNC(=O)NCCOCC[NH+](C)C)s2)cs1 ZINC000471658193 564201425 /nfs/dbraw/zinc/20/14/25/564201425.db2.gz KXGYVTOFPLNQQF-UHFFFAOYSA-N 1 0 382.555 2.600 20 0 GFADRO C[C@@H](CCc1ccc(Br)cc1)NC(=O)NCCOCC[NH+](C)C ZINC000471648044 564201813 /nfs/dbraw/zinc/20/18/13/564201813.db2.gz KKFILYRQHVDJDI-AWEZNQCLSA-N 1 0 386.334 2.648 20 0 GFADRO COC(=O)c1cn(CC[NH2+][C@H]2CCc3c2cc(Cl)cc3Br)nn1 ZINC000563683352 564202393 /nfs/dbraw/zinc/20/23/93/564202393.db2.gz QDLDGAYWTLQVMY-ZDUSSCGKSA-N 1 0 399.676 2.758 20 0 GFADRO CC(C)[N@@H+]1CCCN(C(=O)Cc2cccc(I)c2)CC1 ZINC000471790155 564204376 /nfs/dbraw/zinc/20/43/76/564204376.db2.gz GFHVNZFTOHXYPK-UHFFFAOYSA-N 1 0 386.277 2.776 20 0 GFADRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1ccc(I)cc1 ZINC000563733275 564204645 /nfs/dbraw/zinc/20/46/45/564204645.db2.gz MPRYDLIENSXZNY-DOMZBBRYSA-N 1 0 384.261 2.990 20 0 GFADRO Cn1ncc(Br)c1C(=O)NC[C@@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000449852714 564205366 /nfs/dbraw/zinc/20/53/66/564205366.db2.gz UHTSOUYKYXMVIN-AWEZNQCLSA-N 1 0 383.334 2.957 20 0 GFADRO C[C@@H]([NH2+]CCCNS(=O)(=O)c1ccccc1Br)c1ccncc1 ZINC000506639607 564207588 /nfs/dbraw/zinc/20/75/88/564207588.db2.gz LFJQHSDVWQABJH-CYBMUJFWSA-N 1 0 398.326 2.863 20 0 GFADRO C[NH+](C)C[C@H]1CCN(C(=O)c2ccccc2-n2cc(Br)cn2)C1 ZINC000449885917 564207644 /nfs/dbraw/zinc/20/76/44/564207644.db2.gz IBSCCICVRQDAPB-CYBMUJFWSA-N 1 0 377.286 2.659 20 0 GFADRO O=C(N[C@@H]1C[C@H]1c1cccc(Br)c1)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000563798927 564208057 /nfs/dbraw/zinc/20/80/57/564208057.db2.gz AKHWRNFTWDTGAH-MWDXBVQZSA-N 1 0 378.314 2.992 20 0 GFADRO C[NH+](C)C[C@@H]1CN(C(=O)c2c(Cl)cc(F)cc2Br)CCO1 ZINC000449915430 564208816 /nfs/dbraw/zinc/20/88/16/564208816.db2.gz OKAAWCKUNVSKAC-SNVBAGLBSA-N 1 0 379.657 2.644 20 0 GFADRO Cc1cc(S(=O)(=O)NCCc2ccc(OCC[NH+](C)C)cc2)sc1C ZINC000539109304 564209416 /nfs/dbraw/zinc/20/94/16/564209416.db2.gz PDXXWCWGYOIZOB-UHFFFAOYSA-N 1 0 382.551 2.826 20 0 GFADRO CC[C@@H]1C[N@H+](C)CCN1C(=O)NCCC(=O)Nc1ccc(Br)cc1 ZINC000563868044 564210552 /nfs/dbraw/zinc/21/05/52/564210552.db2.gz JZWDGLBNLMDYEK-OAHLLOKOSA-N 1 0 397.317 2.513 20 0 GFADRO C[C@@H]1CN(C(=O)c2cc(I)ccc2Cl)C[C@@H]1[NH+](C)C ZINC000472041278 564211056 /nfs/dbraw/zinc/21/10/56/564211056.db2.gz FCDAKXYGNVSKGF-RNCFNFMXSA-N 1 0 392.668 2.967 20 0 GFADRO CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)c1cc(I)c[nH]1 ZINC000563990815 564215787 /nfs/dbraw/zinc/21/57/87/564215787.db2.gz BFATXOUQEYCXPZ-LBPRGKRZSA-N 1 0 375.254 2.566 20 0 GFADRO CC[NH+](CC)CCO[C@H]1CCN(CC(=O)Nc2ccc(Br)cc2)C1 ZINC000472262234 564218490 /nfs/dbraw/zinc/21/84/90/564218490.db2.gz LULKHBWZKDMJIP-KRWDZBQOSA-N 1 0 398.345 2.820 20 0 GFADRO CC[NH+](CC)CCO[C@H]1CCN(S(=O)(=O)c2cc(C)c(F)cc2Cl)C1 ZINC000472292020 564219059 /nfs/dbraw/zinc/21/90/59/564219059.db2.gz BHLGGBXETOMWIM-AWEZNQCLSA-N 1 0 392.924 2.909 20 0 GFADRO C[C@@H](C(=O)Nc1cccc(Br)c1)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000564086048 564219263 /nfs/dbraw/zinc/21/92/63/564219263.db2.gz WQLDIUUPKWDGSD-VUCTXSBTSA-N 1 0 396.329 2.604 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H]1COc2cc(F)c(Br)cc21 ZINC000507215857 564221667 /nfs/dbraw/zinc/22/16/67/564221667.db2.gz YRHYZLDZVKBXKQ-QMTHXVAHSA-N 1 0 386.265 2.805 20 0 GFADRO C[C@@H](c1ccncc1)[NH+]1CCC(Nc2cnn(C)c(=O)c2Br)CC1 ZINC000564206259 564224869 /nfs/dbraw/zinc/22/48/69/564224869.db2.gz DISZTIZNMWLETJ-LBPRGKRZSA-N 1 0 392.301 2.575 20 0 GFADRO CC[NH+]1CCC(CNC(=O)NCCOc2ccc(Br)cc2)CC1 ZINC000564229172 564225767 /nfs/dbraw/zinc/22/57/67/564225767.db2.gz BOWQPSLOZZYGBJ-UHFFFAOYSA-N 1 0 384.318 2.859 20 0 GFADRO CC[NH+]1CCN([C@@H]2CCN(c3ncnc4cc(Br)ccc43)C2)CC1 ZINC000450320171 564227622 /nfs/dbraw/zinc/22/76/22/564227622.db2.gz UFRZYSRFCDMXLF-OAHLLOKOSA-N 1 0 390.329 2.609 20 0 GFADRO Cc1cc(Br)ccc1S(=O)(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000472600274 564229001 /nfs/dbraw/zinc/22/90/01/564229001.db2.gz VKDAZERTGWDKOA-ZDUSSCGKSA-N 1 0 375.332 2.720 20 0 GFADRO CSc1ccc(C[NH2+]C[C@H](O)COc2ccc3c(c2)CCC(=O)N3)s1 ZINC000564407984 564232915 /nfs/dbraw/zinc/23/29/15/564232915.db2.gz QRXRYRFTXSKXQW-ZDUSSCGKSA-N 1 0 378.519 2.884 20 0 GFADRO C[C@@H]1C[N@H+](CCCNC(=O)C(=O)Nc2cccc(Cl)c2Cl)CCCO1 ZINC000564401860 564232962 /nfs/dbraw/zinc/23/29/62/564232962.db2.gz VKFHHGYAVPKTIR-GFCCVEGCSA-N 1 0 388.295 2.549 20 0 GFADRO COC[C@H]([NH2+]CCNS(=O)(=O)c1ccc(C)s1)c1cccc(Cl)c1 ZINC000564420336 564233394 /nfs/dbraw/zinc/23/33/94/564233394.db2.gz RXQOMZKBZMNIAB-HNNXBMFYSA-N 1 0 388.942 2.966 20 0 GFADRO CS[C@H]1CN(c2ccc(I)cn2)C[C@H]1[NH+]1CCCC1 ZINC000450454272 564233943 /nfs/dbraw/zinc/23/39/43/564233943.db2.gz KWYWXKHMVJVUED-OLZOCXBDSA-N 1 0 389.306 2.702 20 0 GFADRO C[C@@H]1[C@H](C)N(C(=O)c2ccccc2-n2cc(Br)cn2)CC[N@H+]1C ZINC000450559511 564238417 /nfs/dbraw/zinc/23/84/17/564238417.db2.gz FTMGLFAZEZRJMF-OLZOCXBDSA-N 1 0 377.286 2.799 20 0 GFADRO C[C@](C[NH3+])(NC(=O)Nc1ccc(-c2ccc(Br)s2)nn1)C1CC1 ZINC000564549068 564238536 /nfs/dbraw/zinc/23/85/36/564238536.db2.gz UJJYYHYPNIZGSF-OAHLLOKOSA-N 1 0 396.314 3.217 20 0 GFADRO CC(C)Oc1cc(Br)ccc1C(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000564569615 564240020 /nfs/dbraw/zinc/24/00/20/564240020.db2.gz GQMSDPZMKTWHRL-CYBMUJFWSA-N 1 0 377.229 2.963 20 0 GFADRO COCC[N@H+](C)CCCNC(=O)N[C@@H](C)c1ccc(Br)cc1F ZINC000564591739 564240886 /nfs/dbraw/zinc/24/08/86/564240886.db2.gz NIZGGWVPAJDHLJ-LBPRGKRZSA-N 1 0 390.297 2.917 20 0 GFADRO CC[NH+](CC)CC(=O)N1CCN([C@@H](C)c2ccccc2Br)CC1 ZINC000507742305 564242055 /nfs/dbraw/zinc/24/20/55/564242055.db2.gz UWKSVUYLXWNIFA-HNNXBMFYSA-N 1 0 382.346 2.996 20 0 GFADRO C[NH+](C)CC[C@](C)(O)CNC(=O)CCCOc1cccc(Cl)c1Cl ZINC000473250506 564242696 /nfs/dbraw/zinc/24/26/96/564242696.db2.gz OKDQBFDGFURDAY-KRWDZBQOSA-N 1 0 377.312 2.971 20 0 GFADRO O=C(NCCCCn1cc(Br)cn1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000473289531 564243361 /nfs/dbraw/zinc/24/33/61/564243361.db2.gz AZMQUTKAFYRLBJ-MRXNPFEDSA-N 1 0 383.334 2.949 20 0 GFADRO COc1ccc(F)c(C[NH2+]C[C@@H]2CCN(S(=O)(=O)c3cccs3)C2)c1 ZINC000564670080 564244183 /nfs/dbraw/zinc/24/41/83/564244183.db2.gz JLAPMFHANSMZET-ZDUSSCGKSA-N 1 0 384.498 2.696 20 0 GFADRO OCC[C@H]([NH2+]C[C@@H](O)COc1ccc(Br)cc1)c1ccccc1 ZINC000540332661 564244911 /nfs/dbraw/zinc/24/49/11/564244911.db2.gz PUEWYADXSYIBPV-AEFFLSMTSA-N 1 0 380.282 2.902 20 0 GFADRO CC(=O)N1CCC[N@H+](C[C@@H]2CCCN(c3cncc(Br)c3)C2)CC1 ZINC000450763005 564246591 /nfs/dbraw/zinc/24/65/91/564246591.db2.gz BEBKVWQKCFOMOS-INIZCTEOSA-N 1 0 395.345 2.615 20 0 GFADRO C[C@@H]1[C@H](NC(=O)c2ccccc2-n2cc(Br)cn2)CCC[N@@H+]1C ZINC000450800928 564248447 /nfs/dbraw/zinc/24/84/47/564248447.db2.gz VUWBOFDGQHXXKI-IUODEOHRSA-N 1 0 377.286 2.847 20 0 GFADRO O=C(NC[C@@H]1C[NH2+]CCCO1)C1(c2ccc(Br)cc2)CCCC1 ZINC000564775588 564249011 /nfs/dbraw/zinc/24/90/11/564249011.db2.gz OJSJREAPSJRSRI-INIZCTEOSA-N 1 0 381.314 2.756 20 0 GFADRO Cc1cccc(Cl)c1CN1CCC(NS(=O)(=O)[N-]CC(F)(F)F)CC1 ZINC000450830089 564249340 /nfs/dbraw/zinc/24/93/40/564249340.db2.gz RKZOFNADWOGHTM-UHFFFAOYSA-N 1 0 399.866 2.599 20 0 GFADRO C[C@@H](CNc1cnn(-c2ccc(C(F)(F)F)cn2)c(=O)c1Cl)[NH+](C)C ZINC000450820833 564249369 /nfs/dbraw/zinc/24/93/69/564249369.db2.gz PCPRZQAHEGJHMM-VIFPVBQESA-N 1 0 375.782 2.662 20 0 GFADRO C[NH+]1CCC(C(=O)N2CCN(C(=O)c3cc4sccc4s3)CC2)CC1 ZINC000473639872 564251304 /nfs/dbraw/zinc/25/13/04/564251304.db2.gz JQWAWIRGJQEWIU-UHFFFAOYSA-N 1 0 377.535 2.589 20 0 GFADRO COC[C@]1(CNC(=O)CCCc2ccc(Br)s2)CCC[NH2+]1 ZINC000564839308 564251710 /nfs/dbraw/zinc/25/17/10/564251710.db2.gz BDLSWAOPYKFKLS-OAHLLOKOSA-N 1 0 375.332 2.718 20 0 GFADRO O=C1[C@H]([NH2+]C[C@H]2CN(C3CC3)CCO2)CCN1c1ccc(Cl)cc1Cl ZINC000473679600 564252655 /nfs/dbraw/zinc/25/26/55/564252655.db2.gz UORPDIUORKHHRF-GOEBONIOSA-N 1 0 384.307 2.552 20 0 GFADRO Cc1cc(C)c(C(=O)N2CCC([N@@H+](C)C[C@H](C)O)CC2)cc1Br ZINC000450960158 564256765 /nfs/dbraw/zinc/25/67/65/564256765.db2.gz MIEGJECJEZYORP-AWEZNQCLSA-N 1 0 383.330 2.983 20 0 GFADRO CO[C@H](C[NH3+])CC(=O)N[C@H](Cc1ccccn1)c1ccc(Br)cc1 ZINC000564935987 564258453 /nfs/dbraw/zinc/25/84/53/564258453.db2.gz IJWKRBAFZMJDPW-DLBZAZTESA-N 1 0 392.297 2.608 20 0 GFADRO C[C@H](C[NH+]1CCCCC1)NS(=O)(=O)c1ccc(OCC(F)(F)F)cc1 ZINC000473944464 564258557 /nfs/dbraw/zinc/25/85/57/564258557.db2.gz KEXKURWTKQAODV-CYBMUJFWSA-N 1 0 380.432 2.780 20 0 GFADRO C[N@@H+]1CCN(CCNC(=O)C2(c3cccc(Br)c3)CC2)CC1(C)C ZINC000508274558 564259993 /nfs/dbraw/zinc/25/99/93/564259993.db2.gz IFMYMCZYBWUFFJ-UHFFFAOYSA-N 1 0 394.357 2.623 20 0 GFADRO CN1CCC[C@@H]([NH+]2CCC(C(=O)Nc3ccc(Br)cc3)CC2)C1=O ZINC000540908351 564260503 /nfs/dbraw/zinc/26/05/03/564260503.db2.gz NLPNSHUXQGWEEO-MRXNPFEDSA-N 1 0 394.313 2.720 20 0 GFADRO CO[C@@H]1CCN(CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)[C@H](C[NH3+])C1 ZINC000564987800 564261010 /nfs/dbraw/zinc/26/10/10/564261010.db2.gz PUALHBHBQPJRFI-NWDGAFQWSA-N 1 0 379.810 2.735 20 0 GFADRO OCCOc1ccc(C[NH2+]C[C@H](O)COc2c(Cl)cccc2Cl)cc1 ZINC000564975362 564261134 /nfs/dbraw/zinc/26/11/34/564261134.db2.gz MBKNRTDAKKDXHG-AWEZNQCLSA-N 1 0 386.275 2.894 20 0 GFADRO COc1cc(S(=O)(=O)NCC[NH+](C(C)C)C(C)C)ccc1Br ZINC000474067391 564263494 /nfs/dbraw/zinc/26/34/94/564263494.db2.gz PDNKRJLTANHVRN-UHFFFAOYSA-N 1 0 393.347 2.855 20 0 GFADRO C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+]1CCOCC2(CC2)C1 ZINC000541127706 564266575 /nfs/dbraw/zinc/26/65/75/564266575.db2.gz OBIAFDFNXFZPQM-AWEZNQCLSA-N 1 0 381.314 2.908 20 0 GFADRO CC[NH+](CC)CCO[C@H]1CCN(c2ncccc2I)C1 ZINC000474184925 564268348 /nfs/dbraw/zinc/26/83/48/564268348.db2.gz ZZBDDNHQZVKMPN-ZDUSSCGKSA-N 1 0 389.281 2.623 20 0 GFADRO Cc1c(C(=O)NC2(C[NH+](C)C)CCC2)nnn1-c1cccc(Br)c1 ZINC000508644927 564268436 /nfs/dbraw/zinc/26/84/36/564268436.db2.gz ZRNNCBLTWHVUGN-UHFFFAOYSA-N 1 0 392.301 2.552 20 0 GFADRO Cc1cc(S(=O)(=O)NCC[NH2+][C@@H](C)Cc2ccn(C(C)C)n2)c(C)s1 ZINC000541216506 564269992 /nfs/dbraw/zinc/26/99/92/564269992.db2.gz UKKVSUMRXWHXDN-ZDUSSCGKSA-N 1 0 384.571 2.641 20 0 GFADRO CS(=O)(=O)N1CCC[C@@H]1C[NH2+][C@H]1CCCc2c(Br)cccc21 ZINC000541246416 564270587 /nfs/dbraw/zinc/27/05/87/564270587.db2.gz FPGGIDBTMSGUNS-WBMJQRKESA-N 1 0 387.343 2.840 20 0 GFADRO CC[C@@H](Cc1ccccc1Br)NC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC000541237379 564270976 /nfs/dbraw/zinc/27/09/76/564270976.db2.gz JBEYNHHVXPSSHE-HOCLYGCPSA-N 1 0 383.330 2.855 20 0 GFADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)S(=O)(=O)c1ccoc1 ZINC000508821515 564273317 /nfs/dbraw/zinc/27/33/17/564273317.db2.gz IBMUPLRDJXCQME-UHFFFAOYSA-N 1 0 387.299 2.795 20 0 GFADRO COCC[NH2+]C1CCN(C(=O)c2cc3cc(Br)ccc3[nH]2)CC1 ZINC000565374101 564277745 /nfs/dbraw/zinc/27/77/45/564277745.db2.gz KUIMOALWSCDOGQ-UHFFFAOYSA-N 1 0 380.286 2.771 20 0 GFADRO COCCN(C)CC[NH2+][C@H](C)CCc1ccc(I)cc1 ZINC000474596123 564282677 /nfs/dbraw/zinc/28/26/77/564282677.db2.gz JTSUQMNCSRWCOG-CQSZACIVSA-N 1 0 390.309 2.780 20 0 GFADRO COCCOCC[NH2+][C@H](C)CCc1ccc(I)cc1 ZINC000474608336 564283130 /nfs/dbraw/zinc/28/31/30/564283130.db2.gz VCIHHGFACIKHAR-CYBMUJFWSA-N 1 0 377.266 2.865 20 0 GFADRO COC(=O)c1cc(Cl)ccc1S(=O)(=O)N[C@@H](C)C[NH+]1CCC(C)CC1 ZINC000565490123 564283870 /nfs/dbraw/zinc/28/38/70/564283870.db2.gz GTYVBCSUFPQDBJ-ZDUSSCGKSA-N 1 0 388.917 2.525 20 0 GFADRO CC[NH+](CC)CCOCCNC(=O)N[C@@H](C)c1ccc(Br)cn1 ZINC000474636029 564284133 /nfs/dbraw/zinc/28/41/33/564284133.db2.gz PJNNCAAYXAHZGB-ZDUSSCGKSA-N 1 0 387.322 2.563 20 0 GFADRO Cc1cccc(I)c1C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000474635309 564284253 /nfs/dbraw/zinc/28/42/53/564284253.db2.gz OOOJZJDNUAKHPV-KGLIPLIRSA-N 1 0 384.261 2.956 20 0 GFADRO CC(=O)NCCC[N@@H+]1CC[C@H](Cc2cccc(I)c2)C1 ZINC000451194431 564285161 /nfs/dbraw/zinc/28/51/61/564285161.db2.gz RWUQINQFWCPEKB-OAHLLOKOSA-N 1 0 386.277 2.682 20 0 GFADRO COc1ccc(C[NH2+]CCC(=O)Nc2cccc(Br)c2)c(OC)n1 ZINC000565535112 564285346 /nfs/dbraw/zinc/28/53/46/564285346.db2.gz IJUWOUNGJAFLNB-UHFFFAOYSA-N 1 0 394.269 2.980 20 0 GFADRO COCC(C)(C)[NH+]1CCN(c2ncnc3ccc(Br)cc32)CC1 ZINC000565534511 564285719 /nfs/dbraw/zinc/28/57/19/564285719.db2.gz GIIFFXWGYJPKNG-UHFFFAOYSA-N 1 0 379.302 2.939 20 0 GFADRO C[C@H](C[C@@H]1COCC[NH2+]1)N[C@H](C)c1cc2c(cc1Br)OCCO2 ZINC000565533587 564285734 /nfs/dbraw/zinc/28/57/34/564285734.db2.gz ACNUXMVTFQLUJX-JHJVBQTASA-N 1 0 385.302 2.638 20 0 GFADRO CC[N@@H+]1CCC[C@@H](CNC(=O)Cc2ccccc2I)C1 ZINC000541721792 564286940 /nfs/dbraw/zinc/28/69/40/564286940.db2.gz KONBQWKPUFKINN-ZDUSSCGKSA-N 1 0 386.277 2.682 20 0 GFADRO CCS(=O)(=O)N1CCC(C[NH2+]Cc2ccccc2Br)CC1 ZINC000541778493 564288806 /nfs/dbraw/zinc/28/88/06/564288806.db2.gz YXXNBBOFZRBHTQ-UHFFFAOYSA-N 1 0 375.332 2.600 20 0 GFADRO C[C@@H](C[NH2+][C@H](Cc1ccccc1)C(N)=O)Oc1cccc(Br)c1 ZINC000541800567 564289777 /nfs/dbraw/zinc/28/97/77/564289777.db2.gz FFFNWTCERSRLSQ-SUMWQHHRSA-N 1 0 377.282 2.903 20 0 GFADRO COC[C@@H](CCO)[NH2+][C@@H](C)CCc1ccc(I)cc1 ZINC000474810618 564290441 /nfs/dbraw/zinc/29/04/41/564290441.db2.gz PPWAQTITBRFFRY-SWLSCSKDSA-N 1 0 377.266 2.599 20 0 GFADRO CO[C@@H](CS(=O)(=O)NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1)C1CC1 ZINC000565713700 564292906 /nfs/dbraw/zinc/29/29/06/564292906.db2.gz JRDCAXNBKFHWAC-IRXDYDNUSA-N 1 0 386.583 2.866 20 0 GFADRO Cc1nc2ccc(Br)cn2c1C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000474898176 564293023 /nfs/dbraw/zinc/29/30/23/564293023.db2.gz GDZNWRIDBIDCTD-KGLIPLIRSA-N 1 0 377.286 2.762 20 0 GFADRO CC(C)[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000509339143 564293433 /nfs/dbraw/zinc/29/34/33/564293433.db2.gz AQHJRDGOKNENTL-DVOMOZLQSA-N 1 0 383.945 2.899 20 0 GFADRO C[C@H]([NH2+]CCc1ccc(S(=O)(=O)N2CCCCC2)s1)[C@@H]1CCCOC1 ZINC000541882613 564293856 /nfs/dbraw/zinc/29/38/56/564293856.db2.gz XCJAMMSOFNSLRF-JKSUJKDBSA-N 1 0 386.583 2.870 20 0 GFADRO C[C@H](CCc1ccc(I)cc1)[NH2+][C@@H](C)C[S@](C)=O ZINC000474937769 564294819 /nfs/dbraw/zinc/29/48/19/564294819.db2.gz YSMARZIFYSALID-SOZUMNATSA-N 1 0 379.307 2.969 20 0 GFADRO COC[C@@H](C)OC[C@H](O)C[NH+]1CCC(c2nc(C(F)(F)F)cs2)CC1 ZINC000451292114 564296427 /nfs/dbraw/zinc/29/64/27/564296427.db2.gz BZQVLZLORMPENO-DGCLKSJQSA-N 1 0 382.448 2.754 20 0 GFADRO Cc1cc(Br)cn2c(C[NH2+][C@H]3CC(=O)N4CCCC[C@@H]34)cnc12 ZINC000509402582 564296707 /nfs/dbraw/zinc/29/67/07/564296707.db2.gz LKGJRKQNKOBEBM-GJZGRUSLSA-N 1 0 377.286 2.648 20 0 GFADRO C[C@H](C[NH2+]CCNS(=O)(=O)c1ccc(F)cc1Cl)CC1CCOCC1 ZINC000509410829 564297557 /nfs/dbraw/zinc/29/75/57/564297557.db2.gz OWLQOKZTSBRVJD-ZDUSSCGKSA-N 1 0 392.924 2.800 20 0 GFADRO CC[C@@H](CCO)C[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000565833443 564297619 /nfs/dbraw/zinc/29/76/19/564297619.db2.gz DEUOYBHVNMGSKE-WCQYABFASA-N 1 0 380.710 2.840 20 0 GFADRO C[C@@H](CCC[NH3+])NC(=O)CCC[S@](=O)c1ccc(Br)cc1 ZINC000565833062 564297798 /nfs/dbraw/zinc/29/77/98/564297798.db2.gz JXYOOHKWROZJDO-QKVFXAPYSA-N 1 0 375.332 2.581 20 0 GFADRO Cc1ccc(O)c(C[NH2+]CCOc2ccc(I)cc2)n1 ZINC000509428831 564298437 /nfs/dbraw/zinc/29/84/37/564298437.db2.gz IHNZGMICWBLETE-UHFFFAOYSA-N 1 0 384.217 2.869 20 0 GFADRO [NH3+]C[C@H]1c2ccccc2CCN1C(=O)COc1ccc(Br)cc1 ZINC000565834779 564298787 /nfs/dbraw/zinc/29/87/87/564298787.db2.gz GHYVNYPNBQDLFW-KRWDZBQOSA-N 1 0 375.266 2.913 20 0 GFADRO O[C@@H]1C[C@H]([C@H]2CCCOC2)[N@H+](Cc2nc3cc(Br)ccc3[nH]2)C1 ZINC000451309477 564298903 /nfs/dbraw/zinc/29/89/03/564298903.db2.gz WTEUPONDFJUDCL-NORZTCDRSA-N 1 0 380.286 2.687 20 0 GFADRO C[C@H](CCc1ccc(I)cc1)[NH2+]C[C@@]1(O)CCO[C@@H]1C ZINC000475189881 564302158 /nfs/dbraw/zinc/30/21/58/564302158.db2.gz IRAMAPWDSLRMSL-IOASZLSFSA-N 1 0 389.277 2.742 20 0 GFADRO CCC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2cccc(Br)c2F)C1 ZINC000542141413 564302174 /nfs/dbraw/zinc/30/21/74/564302174.db2.gz KXKIJJCBBTVHLL-LBPRGKRZSA-N 1 0 393.322 2.941 20 0 GFADRO Cc1ccc(Cl)c(OC[C@@H](O)C[NH2+]C2CCC(CS(C)(=O)=O)CC2)c1 ZINC000565946173 564303577 /nfs/dbraw/zinc/30/35/77/564303577.db2.gz IPHAJGSYIBJIQB-GPANFISMSA-N 1 0 389.945 2.581 20 0 GFADRO [NH3+][C@@H]1CCO[C@H](C2CCN(C(=O)COc3ccccc3Br)CC2)C1 ZINC000565945328 564303634 /nfs/dbraw/zinc/30/36/34/564303634.db2.gz BRPHFONIXFECJK-PBHICJAKSA-N 1 0 397.313 2.573 20 0 GFADRO OC[C@H]([NH2+]Cc1ccc(OC(F)(F)F)c(Br)c1)[C@@H]1CCCO1 ZINC000475225617 564304099 /nfs/dbraw/zinc/30/40/99/564304099.db2.gz WKIYFUKDXLRKQU-AAEUAGOBSA-N 1 0 384.192 2.977 20 0 GFADRO C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)Cc1csc(NC(=O)c2cccs2)n1 ZINC000509637703 564307216 /nfs/dbraw/zinc/30/72/16/564307216.db2.gz WFERXIFTXQLUEP-VXGBXAGGSA-N 1 0 378.523 2.550 20 0 GFADRO O=C(CN[C@H](c1ccccc1)c1ccc(Br)cc1)N1CC[NH2+]CC1 ZINC000566088148 564308333 /nfs/dbraw/zinc/30/83/33/564308333.db2.gz CZSCYTHGSJZCJU-LJQANCHMSA-N 1 0 388.309 2.560 20 0 GFADRO O=C(NCCC[C@@H]1CCC[NH2+]1)c1ccc(-n2cc(Br)cn2)cc1 ZINC000566101935 564309758 /nfs/dbraw/zinc/30/97/58/564309758.db2.gz YEAXOEMMKRASEF-HNNXBMFYSA-N 1 0 377.286 2.897 20 0 GFADRO CO[C@@H]([C@H](C)[NH2+]CCS(=O)(=O)c1cccc(Br)c1)C1CC1 ZINC000566121649 564310496 /nfs/dbraw/zinc/31/04/96/564310496.db2.gz MARAFROXTYZZFO-NHYWBVRUSA-N 1 0 376.316 2.626 20 0 GFADRO Cc1ccc(Br)c(NC(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)[C@@H]2C)c1 ZINC000509744332 564312175 /nfs/dbraw/zinc/31/21/75/564312175.db2.gz RUFQZBVJZMBSAU-BBRMVZONSA-N 1 0 394.313 2.781 20 0 GFADRO COCC1(C(=O)NCCOCc2ccc(Cl)cc2Cl)CC[NH2+]CC1 ZINC000566188062 564315384 /nfs/dbraw/zinc/31/53/84/564315384.db2.gz ILRVYXZNDAZYBL-UHFFFAOYSA-N 1 0 375.296 2.642 20 0 GFADRO O=C1NCC[C@H]1[N@H+](CCOc1cccc(Br)c1)C[C@@H]1CCCS1 ZINC000475688804 564316225 /nfs/dbraw/zinc/31/62/25/564316225.db2.gz PUORUXUHDITFJY-JKSUJKDBSA-N 1 0 399.354 2.914 20 0 GFADRO [NH3+]CC[C@H]1CCCCN1S(=O)(=O)c1cccc(Cl)c1Br ZINC000566223818 564317295 /nfs/dbraw/zinc/31/72/95/564317295.db2.gz LUCZVYQXRJMGNW-SNVBAGLBSA-N 1 0 381.723 2.995 20 0 GFADRO CC(C)n1cc(Br)cc1C(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000566211844 564317253 /nfs/dbraw/zinc/31/72/53/564317253.db2.gz NVNPGOFYYKYOHF-ZBFHGGJFSA-N 1 0 384.318 2.800 20 0 GFADRO C[C@@H]1CCCC[C@]1(C[NH3+])NS(=O)(=O)Cc1cccc(Br)c1 ZINC000566225613 564317922 /nfs/dbraw/zinc/31/79/22/564317922.db2.gz YNWBGOZHIRLAHW-IUODEOHRSA-N 1 0 375.332 2.776 20 0 GFADRO C[C@@H]([NH2+]CC(=O)Nc1ccccc1I)[C@@H]1CCCOC1 ZINC000542577260 564318146 /nfs/dbraw/zinc/31/81/46/564318146.db2.gz YXBMZSIWRRUXQC-VXGBXAGGSA-N 1 0 388.249 2.634 20 0 GFADRO Cc1cc(F)c(Br)cc1S(=O)(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000566228768 564318365 /nfs/dbraw/zinc/31/83/65/564318365.db2.gz PJEGBPFWKZWTAQ-HNNXBMFYSA-N 1 0 391.306 2.661 20 0 GFADRO COC[C@@H](C)CC(=O)Nc1ccc(CN2CC[NH+](C)CC2)c(Br)c1 ZINC000475752374 564318449 /nfs/dbraw/zinc/31/84/49/564318449.db2.gz PIGVKZSFOXXGSO-AWEZNQCLSA-N 1 0 398.345 2.808 20 0 GFADRO CC[NH+](CC)C[C@H](C)NS(=O)(=O)c1c(Cl)cc(Cl)cc1C(=O)OC ZINC000509967577 564320151 /nfs/dbraw/zinc/32/01/51/564320151.db2.gz JZOUSRNSCYCHIP-JTQLQIEISA-N 1 0 397.324 2.789 20 0 GFADRO COC[C@@H]1CCN(C(=O)N(CC[NH+](C)C)Cc2ccc(Br)cc2)C1 ZINC000510005190 564321957 /nfs/dbraw/zinc/32/19/57/564321957.db2.gz LZVWPASLLILKDU-MRXNPFEDSA-N 1 0 398.345 2.901 20 0 GFADRO CCS(=O)(=O)N1CCC(C[NH2+]Cc2cccc(Br)c2)CC1 ZINC000542710115 564322178 /nfs/dbraw/zinc/32/21/78/564322178.db2.gz VZCAUUCAFJBXAA-UHFFFAOYSA-N 1 0 375.332 2.600 20 0 GFADRO O=C(N[C@@H](CO)c1ccc(Br)c(F)c1)c1ccc2c[nH+]cn2c1 ZINC000566344789 564324008 /nfs/dbraw/zinc/32/40/08/564324008.db2.gz BQTVXSKPPLKWDH-HNNXBMFYSA-N 1 0 378.201 2.699 20 0 GFADRO CO[C@H]1CCN(CCS(=O)(=O)c2cccc(Br)c2)CC1(C)C ZINC000451561126 564325490 /nfs/dbraw/zinc/32/54/90/564325490.db2.gz HQZWELYQGPBZQM-HNNXBMFYSA-N 1 0 390.343 2.970 20 0 GFADRO C[NH+](C)CCN(Cc1ccccn1)S(=O)(=O)c1c(Cl)ccc(F)c1F ZINC000566404854 564325977 /nfs/dbraw/zinc/32/59/77/564325977.db2.gz VQEOOZGMNRMCHI-UHFFFAOYSA-N 1 0 389.855 2.766 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cc3ccc(Br)cc3[nH]2)CC1 ZINC000566406428 564326522 /nfs/dbraw/zinc/32/65/22/564326522.db2.gz JECWUOKTUMTOFW-PBHICJAKSA-N 1 0 392.297 2.899 20 0 GFADRO CS(=O)(=O)NCC1CC[NH+](CCOc2cc(Cl)cc(Cl)c2)CC1 ZINC000510191565 564327213 /nfs/dbraw/zinc/32/72/13/564327213.db2.gz IJFHSAVEPRLVFT-UHFFFAOYSA-N 1 0 381.325 2.633 20 0 GFADRO CC[NH+](CC)CC[C@@H](CO)NC(=O)c1ccc(Cl)c(Br)c1 ZINC000566457536 564327902 /nfs/dbraw/zinc/32/79/02/564327902.db2.gz TXJOLYICWLXZMC-LBPRGKRZSA-N 1 0 377.710 2.925 20 0 GFADRO COC(=O)[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)N(C)Cc1ccccc1Br ZINC000451596774 564329332 /nfs/dbraw/zinc/32/93/32/564329332.db2.gz LZGBQCMMGIENSQ-ZBFHGGJFSA-N 1 0 397.313 2.729 20 0 GFADRO CC(C)[C@H](CO)[C@@H]([NH2+][C@@H](C(N)=O)c1ccc(Br)cc1F)C(C)C ZINC000451602706 564330056 /nfs/dbraw/zinc/33/00/56/564330056.db2.gz VSCMXBQDAGYWQJ-CWRNSKLLSA-N 1 0 389.309 2.993 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)N[C@@H](CCO)c2ccccc2Br)CC[N@@H+]1C ZINC000542896919 564330750 /nfs/dbraw/zinc/33/07/50/564330750.db2.gz XSDMCEFXNNJSNO-WWGRRREGSA-N 1 0 384.318 2.655 20 0 GFADRO Cc1nc2ccc(Br)cn2c1C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000476230885 564331494 /nfs/dbraw/zinc/33/14/94/564331494.db2.gz LBHNMGGQAVIGLZ-MRXNPFEDSA-N 1 0 397.342 2.572 20 0 GFADRO COc1cc(Br)ccc1CCC(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000542953411 564333173 /nfs/dbraw/zinc/33/31/73/564333173.db2.gz RCWHTTFFUARWPN-BLLLJJGKSA-N 1 0 381.314 2.989 20 0 GFADRO C[NH+](C)CCOCCNC(=O)C1(c2ccc(Br)cc2)CCCC1 ZINC000476294647 564333331 /nfs/dbraw/zinc/33/33/31/564333331.db2.gz HOUHJOLYSINHCE-UHFFFAOYSA-N 1 0 383.330 2.955 20 0 GFADRO Cc1nc2ccc(Br)cn2c1C(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000476304225 564334079 /nfs/dbraw/zinc/33/40/79/564334079.db2.gz XZSZETZUOUMYHC-ZWNOBZJWSA-N 1 0 377.286 2.760 20 0 GFADRO CS[C@@H]1CN(C(=O)c2cn(C)nc2-c2ccc(Cl)s2)C[C@H]1[NH+](C)C ZINC000476332961 564334958 /nfs/dbraw/zinc/33/49/58/564334958.db2.gz LFPKBIABTQELTG-DGCLKSJQSA-N 1 0 384.958 2.920 20 0 GFADRO COC(=O)c1cn(CC[NH2+]Cc2csc3c2cccc3Br)nn1 ZINC000566631335 564335609 /nfs/dbraw/zinc/33/56/09/564335609.db2.gz NTOBOPCHTKSKIQ-UHFFFAOYSA-N 1 0 395.282 2.832 20 0 GFADRO COc1ccc(Br)cc1C1(C(=O)NCCc2cncn2C)CC1 ZINC000566667100 564337258 /nfs/dbraw/zinc/33/72/58/564337258.db2.gz KDVCCSIGJQCFRJ-UHFFFAOYSA-N 1 0 378.270 2.582 20 0 GFADRO O=C(N[C@@H]1CCOc2c(Br)cccc21)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000566786293 564342832 /nfs/dbraw/zinc/34/28/32/564342832.db2.gz CKBVILOGLPJUOJ-IUODEOHRSA-N 1 0 380.286 2.809 20 0 GFADRO CN(CC[N@H+](C)C1CC1)C(=O)NCc1cc(F)c(F)cc1Br ZINC000510728074 564344930 /nfs/dbraw/zinc/34/49/30/564344930.db2.gz XVBJNPJWSZIMRD-UHFFFAOYSA-N 1 0 376.245 2.963 20 0 GFADRO Cc1cc(OCCC[C@H](C)[NH2+]CC2(O)CCS(=O)(=O)CC2)ccc1Cl ZINC000510708108 564344964 /nfs/dbraw/zinc/34/49/64/564344964.db2.gz ZRUMESFKOFDXAD-HNNXBMFYSA-N 1 0 389.945 2.725 20 0 GFADRO CS(=O)(=O)N[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(OCC(F)(F)F)cc1 ZINC000510760482 564345620 /nfs/dbraw/zinc/34/56/20/564345620.db2.gz CFPCRDANMSCGHU-GJZGRUSLSA-N 1 0 380.432 2.578 20 0 GFADRO COC(=O)c1ccc(S(=O)(=O)N[C@@H](C)C[NH+]2CCCCCC2)c(Cl)c1 ZINC000476582426 564346520 /nfs/dbraw/zinc/34/65/20/564346520.db2.gz QCXZOQJJMCIKCW-ZDUSSCGKSA-N 1 0 388.917 2.669 20 0 GFADRO Cc1c(C(=O)N(C)C2(C[NH3+])CCC2)cnn1-c1ccc(Br)cc1 ZINC000566850234 564346777 /nfs/dbraw/zinc/34/67/77/564346777.db2.gz AXZJYIWDJBJSNJ-UHFFFAOYSA-N 1 0 377.286 2.897 20 0 GFADRO O=C(Cc1cscc1Br)N1CC[C@H](OCC[NH+]2CCCC2)C1 ZINC000476678151 564351150 /nfs/dbraw/zinc/35/11/50/564351150.db2.gz REWKZEUAIYPONA-AWEZNQCLSA-N 1 0 387.343 2.766 20 0 GFADRO CC1(C)[C@H]([NH2+]CCNS(=O)(=O)c2ccc(F)cc2Cl)[C@H]2CCCO[C@@H]21 ZINC000510979540 564351915 /nfs/dbraw/zinc/35/19/15/564351915.db2.gz VOVVJMRSJRSZKB-WQVCFCJDSA-N 1 0 390.908 2.551 20 0 GFADRO CCC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1cc(Br)ccc1F ZINC000511008801 564352776 /nfs/dbraw/zinc/35/27/76/564352776.db2.gz FTYHZJJFNIKEDL-LBPRGKRZSA-N 1 0 379.295 2.741 20 0 GFADRO CN(C)CC[N@H+](C)CCCN(C)C(=O)[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000451799192 564353198 /nfs/dbraw/zinc/35/31/98/564353198.db2.gz VXOFTAYRIFXQJN-ZWKOTPCHSA-N 1 0 396.373 2.895 20 0 GFADRO CC1(C)C[C@H](O)CC[N@H+](C[C@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000451815974 564355198 /nfs/dbraw/zinc/35/51/98/564355198.db2.gz WLJVFRQGOUPORL-CABCVRRESA-N 1 0 390.293 2.811 20 0 GFADRO C[C@H](O)C[N@@H+]1CCN(C(=O)CCCOc2cccc(Br)c2)[C@H](C)C1 ZINC000476850992 564355385 /nfs/dbraw/zinc/35/53/85/564355385.db2.gz RTTMTEYLIROYKF-CABCVRRESA-N 1 0 399.329 2.522 20 0 GFADRO CCS(=O)(=O)N1CCC(C[NH2+][C@H](C)c2ncc(Br)s2)CC1 ZINC000543628630 564356276 /nfs/dbraw/zinc/35/62/76/564356276.db2.gz UYODGHZYGMWDEQ-SNVBAGLBSA-N 1 0 396.376 2.618 20 0 GFADRO C[C@@H]1COCCN1CCNC(=O)Nc1cc(F)c(Br)cc1F ZINC000511119323 564357832 /nfs/dbraw/zinc/35/78/32/564357832.db2.gz IBBQXTGXDBISJS-SECBINFHSA-N 1 0 378.217 2.570 20 0 GFADRO C[NH+]1CCC(C)(CNC(=O)c2cccc(F)c2I)CC1 ZINC000543744545 564362155 /nfs/dbraw/zinc/36/21/55/564362155.db2.gz KVOHLAYUOKEUHS-UHFFFAOYSA-N 1 0 390.240 2.892 20 0 GFADRO Cn1ccnc1[C@@H](NS(=O)(=O)c1ccc(OC(F)F)c(F)c1)C1CC1 ZINC000511262777 564364816 /nfs/dbraw/zinc/36/48/16/564364816.db2.gz VUVLLRCVICPIOQ-ZDUSSCGKSA-N 1 0 375.372 2.590 20 0 GFADRO CCN(Cc1cccc(Br)c1)C(=O)C(=O)N[C@H](C)C[NH+](CC)CC ZINC000477109301 564365249 /nfs/dbraw/zinc/36/52/49/564365249.db2.gz TZNRFBNZFQZMGA-CQSZACIVSA-N 1 0 398.345 2.644 20 0 GFADRO CS[C@@H]1CN(S(=O)(=O)c2cc(F)ccc2Cl)C[C@@H]1[NH+]1CCCC1 ZINC000477134433 564366282 /nfs/dbraw/zinc/36/62/82/564366282.db2.gz GRCRUXBMLIEHAZ-UONOGXRCSA-N 1 0 378.922 2.679 20 0 GFADRO CCC[N@H+](C)[C@H](CNS(=O)(=O)C[C@H](C)COC)c1ccc(Cl)cc1 ZINC000567312842 564366347 /nfs/dbraw/zinc/36/63/47/564366347.db2.gz GHEZVXPHCIVNKY-RHSMWYFYSA-N 1 0 376.950 2.925 20 0 GFADRO CN(C(=O)Nc1cc(I)ccc1Cl)[C@@H]1CC[NH2+]C1 ZINC000567333583 564366938 /nfs/dbraw/zinc/36/69/38/564366938.db2.gz HOUKLDBSOPRSEC-SECBINFHSA-N 1 0 379.629 2.770 20 0 GFADRO COC[C@@]1(CO)CCN(Cc2ccc(I)c(Cl)c2)C1 ZINC000451937456 564370334 /nfs/dbraw/zinc/37/03/34/564370334.db2.gz UNJHCNALRAHTMH-AWEZNQCLSA-N 1 0 395.668 2.775 20 0 GFADRO COC[C@@]1(CO)CCN(CC(=O)Nc2cc(Cl)c(Cl)cc2Cl)C1 ZINC000451937021 564370339 /nfs/dbraw/zinc/37/03/39/564370339.db2.gz XBEDBDQAUBIYOI-HNNXBMFYSA-N 1 0 381.687 2.916 20 0 GFADRO Cc1ccc(S(=O)(=O)NCC[NH2+]Cc2cc(Cl)cc3c2OCC3)cc1 ZINC000543992641 564370803 /nfs/dbraw/zinc/37/08/03/564370803.db2.gz FZKTVDOQMUZBEB-UHFFFAOYSA-N 1 0 380.897 2.651 20 0 GFADRO C[C@H]1C[C@@H](NC(=O)c2ccc(F)c(I)c2)CC[N@@H+]1C ZINC000477287676 564372388 /nfs/dbraw/zinc/37/23/88/564372388.db2.gz SKRHRKQDDAAGHM-ONGXEEELSA-N 1 0 376.213 2.643 20 0 GFADRO COCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](Cc2cc(OC)ccc2Br)C1 ZINC000511477082 564373132 /nfs/dbraw/zinc/37/31/32/564373132.db2.gz JUXOHXSFZCUVEW-ZIAGYGMSSA-N 1 0 399.329 2.821 20 0 GFADRO Cc1cc(NC(=O)C(=O)N2CC[NH+](C3CCCC3)CC2)ccc1Br ZINC000511531138 564375107 /nfs/dbraw/zinc/37/51/07/564375107.db2.gz HRAVMSDMNDFFIN-UHFFFAOYSA-N 1 0 394.313 2.783 20 0 GFADRO CC(C)C[NH+]1CCN(C(=O)c2cc(F)ccc2I)CC1 ZINC000511530914 564375192 /nfs/dbraw/zinc/37/51/92/564375192.db2.gz WUGJREYMTCTBEQ-UHFFFAOYSA-N 1 0 390.240 2.844 20 0 GFADRO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@@H+]2CC(=O)N[C@@H](C)c1ccc(Br)cc1 ZINC000511670604 564379689 /nfs/dbraw/zinc/37/96/89/564379689.db2.gz JMHXNGHUTRWALE-YSCHTCBPSA-N 1 0 393.325 2.982 20 0 GFADRO CCOCC[NH+]1CCN(Cc2cnc3c(C)cc(Br)cn23)CC1 ZINC000544347271 564382907 /nfs/dbraw/zinc/38/29/07/564382907.db2.gz QHSHDYLVCIDRCI-UHFFFAOYSA-N 1 0 381.318 2.559 20 0 GFADRO O=C(NCC[N@H+]1CC=CCC1)c1ccc(I)cc1Cl ZINC000477646571 564383261 /nfs/dbraw/zinc/38/32/61/564383261.db2.gz ZYMPGOCLTIPPDG-UHFFFAOYSA-N 1 0 390.652 2.936 20 0 GFADRO C[NH+](C)[C@H]1CCC[C@@H](NCCS(=O)(=O)c2cccc(Br)c2)C1 ZINC000567683517 564383289 /nfs/dbraw/zinc/38/32/89/564383289.db2.gz PYZJHPWFQQSJJQ-CABCVRRESA-N 1 0 389.359 2.685 20 0 GFADRO CCO[C@@H]1CCCC[C@H]1[NH2+]Cc1nnnn1-c1ccccc1Br ZINC000452033111 564385172 /nfs/dbraw/zinc/38/51/72/564385172.db2.gz FXLZIWFXUAPZFF-UKRRQHHQSA-N 1 0 380.290 2.862 20 0 GFADRO CC[C@H]([NH2+]CC(=O)N(C)CCOc1ccc(Br)cc1)[C@H]1CCCO1 ZINC000544458532 564387010 /nfs/dbraw/zinc/38/70/10/564387010.db2.gz IUUVUDJSPILXMS-DLBZAZTESA-N 1 0 399.329 2.834 20 0 GFADRO CO[C@H](CC[NH2+]Cc1ncc(I)s1)C(F)(F)F ZINC000511992388 564388889 /nfs/dbraw/zinc/38/88/89/564388889.db2.gz UPMJXHVKDBOUKZ-ZCFIWIBFSA-N 1 0 380.173 2.805 20 0 GFADRO C[C@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH2+][C@H]1CCC(=O)NC1 ZINC000512011984 564389299 /nfs/dbraw/zinc/38/92/99/564389299.db2.gz XLBCFTCTHVUASO-KOLCDFICSA-N 1 0 377.794 2.944 20 0 GFADRO Cc1c(Br)cccc1S(=O)(=O)N(C)CCC[NH+]1CCCC1 ZINC000544596333 564389339 /nfs/dbraw/zinc/38/93/39/564389339.db2.gz OYAHYNCGCIIAGC-UHFFFAOYSA-N 1 0 375.332 2.864 20 0 GFADRO CC[C@@H](NC(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1ccc(Cl)s1 ZINC000512024991 564389455 /nfs/dbraw/zinc/38/94/55/564389455.db2.gz GLDGKUDITLFFFX-QWHCGFSZSA-N 1 0 386.949 2.739 20 0 GFADRO CC(C)(CN1CCCC1)[NH2+]CCS(=O)(=O)c1ccc(Br)cc1 ZINC000452092062 564390456 /nfs/dbraw/zinc/39/04/56/564390456.db2.gz UMKRJZLGEGYMMX-UHFFFAOYSA-N 1 0 389.359 2.687 20 0 GFADRO [NH3+][C@H](C(=O)N[C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1)C1CCC1 ZINC000567817860 564390787 /nfs/dbraw/zinc/39/07/87/564390787.db2.gz DMUMTEWZQOPJSB-AAEUAGOBSA-N 1 0 376.810 2.576 20 0 GFADRO C[C@H](Cn1cc(Br)cn1)[NH2+]C[C@@H](CO)Cc1ccc(F)c(F)c1 ZINC000477930988 564391036 /nfs/dbraw/zinc/39/10/36/564391036.db2.gz BWOWASVBQNFPOF-YPMHNXCESA-N 1 0 388.256 2.753 20 0 GFADRO CCO[C@@H]1C[C@]([NH3+])(C(=O)N2CCOc3ccc(Br)cc3C2)C1(C)C ZINC000567823234 564391123 /nfs/dbraw/zinc/39/11/23/564391123.db2.gz OQOOVJZIWBRNML-QAPCUYQASA-N 1 0 397.313 2.703 20 0 GFADRO COc1ccc(CCC(=O)N[C@H]2C[NH2+]CCC2(F)F)cc1Br ZINC000567846887 564391760 /nfs/dbraw/zinc/39/17/60/564391760.db2.gz VSIKZUOHYHBTSJ-ZDUSSCGKSA-N 1 0 377.229 2.504 20 0 GFADRO C[C@@H]1C[C@H](C)CN(S(=O)(=O)N(C)C2CC[NH+](CCC(F)(F)F)CC2)C1 ZINC000452096951 564391826 /nfs/dbraw/zinc/39/18/26/564391826.db2.gz PFHKIJMDMKWZAF-OKILXGFUSA-N 1 0 385.496 2.558 20 0 GFADRO [NH3+]C1(CNS(=O)(=O)c2cc3c(cc2Cl)CCC(=O)N3)CCCCCC1 ZINC000567853077 564392849 /nfs/dbraw/zinc/39/28/49/564392849.db2.gz GWHMWSIQXKXJOE-UHFFFAOYSA-N 1 0 385.917 2.555 20 0 GFADRO CC(C)[N@@H+]1CC[C@@H](N(C)S(=O)(=O)Cc2ccccc2Br)C1 ZINC000452105026 564392894 /nfs/dbraw/zinc/39/28/94/564392894.db2.gz NFNAMDBVTUKEEA-CQSZACIVSA-N 1 0 375.332 2.693 20 0 GFADRO Cc1ccc(SCC(F)(F)F)c(NC(=O)N2CCN(C)C[C@H]2C[NH3+])c1 ZINC000567865577 564393460 /nfs/dbraw/zinc/39/34/60/564393460.db2.gz ZQNLULIBHBGFAW-GFCCVEGCSA-N 1 0 376.448 2.756 20 0 GFADRO CC(C)(CCO)C[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000567875275 564393610 /nfs/dbraw/zinc/39/36/10/564393610.db2.gz ALCOUYHSDTYDTI-GFCCVEGCSA-N 1 0 380.710 2.840 20 0 GFADRO CC(C)[N@@H+]1CC[C@H](N(C)S(=O)(=O)CCc2ccccc2Br)C1 ZINC000452107848 564394008 /nfs/dbraw/zinc/39/40/08/564394008.db2.gz UGSTUFXHDNSYBN-HNNXBMFYSA-N 1 0 389.359 2.736 20 0 GFADRO [NH3+]C1(C(=O)NCc2noc(-c3cccc(Br)c3)n2)CCCCC1 ZINC000567908655 564395330 /nfs/dbraw/zinc/39/53/30/564395330.db2.gz FAIJXZIRMJWOEQ-UHFFFAOYSA-N 1 0 379.258 2.777 20 0 GFADRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C[C@H](O)COc1ccc(Br)cc1 ZINC000512215450 564396183 /nfs/dbraw/zinc/39/61/83/564396183.db2.gz VSOQPFPSXAHYBZ-PVAVHDDUSA-N 1 0 383.330 2.747 20 0 GFADRO COC(=O)c1cc(Br)cc(C(=O)N2CC[N@@H+](C3CC3)C[C@@H](C)C2)c1 ZINC000452178514 564398462 /nfs/dbraw/zinc/39/84/62/564398462.db2.gz ZSCCUOQOJPLCJB-GFCCVEGCSA-N 1 0 395.297 2.792 20 0 GFADRO C[N@H+](CC(=O)N1CCc2c(F)ccc(Br)c2C1)[C@H]1CCSC1 ZINC000452190604 564398936 /nfs/dbraw/zinc/39/89/36/564398936.db2.gz IOPPWBORSAYCEW-NSHDSACASA-N 1 0 387.318 2.910 20 0 GFADRO CN(CCC[NH+](C)C)C(=O)c1ncc(Br)cc1Br ZINC000544784367 564399475 /nfs/dbraw/zinc/39/94/75/564399475.db2.gz ICEPMHCZAJLXNQ-UHFFFAOYSA-N 1 0 379.096 2.630 20 0 GFADRO O=C(N[C@@H](CO)C[NH+]1CCCCC1)c1cc2c(cc(Br)cc2F)[nH]1 ZINC000512370544 564399833 /nfs/dbraw/zinc/39/98/33/564399833.db2.gz SSEUZWLSUWCCEB-GFCCVEGCSA-N 1 0 398.276 2.646 20 0 GFADRO COCCN(Cc1sccc1Br)C(=O)N[C@@H](C)C[NH+](C)C ZINC000512411471 564400551 /nfs/dbraw/zinc/40/05/51/564400551.db2.gz ODHZEEYTFHIADS-NSHDSACASA-N 1 0 378.336 2.619 20 0 GFADRO Cc1[nH]c(=O)c(C(=O)N2CC([N@H+](C)Cc3ccccc3)C2)cc1Br ZINC000512408361 564400900 /nfs/dbraw/zinc/40/09/00/564400900.db2.gz FTTIKQBMIZPKNM-UHFFFAOYSA-N 1 0 390.281 2.815 20 0 GFADRO O=C(NCCC[NH+]1CCCC1)N(CCO)Cc1ccc(Br)s1 ZINC000478422523 564401893 /nfs/dbraw/zinc/40/18/93/564401893.db2.gz VIXYOZKJZGBEHN-UHFFFAOYSA-N 1 0 390.347 2.500 20 0 GFADRO CC[N@@H+]1CCCC[C@H]1C(=O)NCCc1cn2cc(Br)cc(C)c2n1 ZINC000544857877 564401926 /nfs/dbraw/zinc/40/19/26/564401926.db2.gz XBYVRQRQVOCVHC-INIZCTEOSA-N 1 0 393.329 2.938 20 0 GFADRO CS(=O)(=O)N1CC[C@@H]([NH2+][C@@H]2CCSc3ccc(Br)cc32)C1 ZINC000568043469 564402337 /nfs/dbraw/zinc/40/23/37/564402337.db2.gz KCBQOLWKHZRELR-DGCLKSJQSA-N 1 0 391.356 2.610 20 0 GFADRO COc1c[nH+]ccc1N1CCN(C(=O)c2csc(Br)c2)CC1 ZINC000478478812 564404057 /nfs/dbraw/zinc/40/40/57/564404057.db2.gz FMDMOENANFYYQN-UHFFFAOYSA-N 1 0 382.283 2.877 20 0 GFADRO C[C@@H](NC(=O)c1ccc(I)c(Br)c1)[C@H](C)[NH3+] ZINC000568087172 564404399 /nfs/dbraw/zinc/40/43/99/564404399.db2.gz UCTHJCMQDCGJGQ-NKWVEPMBSA-N 1 0 397.054 2.519 20 0 GFADRO O=C(NC[C@@H]1CCC[N@H+]1CCCO)c1cc(Cl)ccc1Br ZINC000452345215 564407104 /nfs/dbraw/zinc/40/71/04/564407104.db2.gz DOXTVUGMOSOXFK-LBPRGKRZSA-N 1 0 375.694 2.679 20 0 GFADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H](Cc2cccc(I)c2)C1 ZINC000452370116 564408670 /nfs/dbraw/zinc/40/86/70/564408670.db2.gz OLKDOBZJMHONLL-GDBMZVCRSA-N 1 0 398.288 2.776 20 0 GFADRO COc1cc(Br)ccc1[C@H](C)NC(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000568232862 564410066 /nfs/dbraw/zinc/41/00/66/564410066.db2.gz ONGYFYVQOFGATI-AVGNSLFASA-N 1 0 382.302 2.770 20 0 GFADRO O=C(CCCOc1cccc(Br)c1)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000452372487 564410180 /nfs/dbraw/zinc/41/01/80/564410180.db2.gz CTFQNIBIRQVKDW-MRXNPFEDSA-N 1 0 399.329 2.571 20 0 GFADRO C[C@@H](Oc1cc(Cl)cc(Cl)c1)C(=O)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000452374911 564410508 /nfs/dbraw/zinc/41/05/08/564410508.db2.gz LMOPEEHBBCHUCD-IUODEOHRSA-N 1 0 375.296 2.724 20 0 GFADRO CC[C@@H](Cc1cccc(Br)c1)C(=O)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000452386341 564411963 /nfs/dbraw/zinc/41/19/63/564411963.db2.gz WYAGFGAKAYWZIN-FUHWJXTLSA-N 1 0 397.357 2.981 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)CCc2ncc(-c3ccc(Cl)cc3Cl)o2)CCO1 ZINC000478722448 564412590 /nfs/dbraw/zinc/41/25/90/564412590.db2.gz TWQUTOKXFQATMA-GFCCVEGCSA-N 1 0 384.263 2.767 20 0 GFADRO O=C(CCCOc1ccccc1Br)NC[C@H]1CCCC[N@H+]1CCO ZINC000452388171 564413175 /nfs/dbraw/zinc/41/31/75/564413175.db2.gz JCDNPWPPTPCBIE-OAHLLOKOSA-N 1 0 399.329 2.571 20 0 GFADRO Cc1cc(C[NH2+]C[C@H]2CCCC[C@H]2NS(C)(=O)=O)ccc1Br ZINC000512850020 564413712 /nfs/dbraw/zinc/41/37/12/564413712.db2.gz HCJVLNXUFAZCKV-GDBMZVCRSA-N 1 0 389.359 2.955 20 0 GFADRO CS(=O)(=O)N[C@H]1CCCC[C@H]1C[NH2+]Cc1cc(Br)ccc1F ZINC000512868369 564414678 /nfs/dbraw/zinc/41/46/78/564414678.db2.gz BPZOMUFOERNNSW-NHYWBVRUSA-N 1 0 393.322 2.786 20 0 GFADRO COc1cc(C(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)cc(Br)c1OC ZINC000568383171 564416599 /nfs/dbraw/zinc/41/65/99/564416599.db2.gz MDUVBVNPWNZWLT-KRWDZBQOSA-N 1 0 383.286 2.682 20 0 GFADRO Cc1ccc(C[NH2+]C[C@H]2CCCCN2S(C)(=O)=O)cc1Br ZINC000513026791 564417775 /nfs/dbraw/zinc/41/77/75/564417775.db2.gz GBXFHMZPLIXTTB-CQSZACIVSA-N 1 0 375.332 2.661 20 0 GFADRO COCc1ccc(C[NH2+]CCNS(=O)(=O)c2ccc(Cl)cc2C)cc1 ZINC000513022884 564417905 /nfs/dbraw/zinc/41/79/05/564417905.db2.gz ZFXINCHCBGWMCN-UHFFFAOYSA-N 1 0 382.913 2.863 20 0 GFADRO C[NH+](C)CC1(CNS(=O)(=O)c2ccc(F)cc2Br)CCCC1 ZINC000545367320 564419485 /nfs/dbraw/zinc/41/94/85/564419485.db2.gz CAGDWAYSXCCTQI-UHFFFAOYSA-N 1 0 393.322 2.989 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)C(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000478968230 564420857 /nfs/dbraw/zinc/42/08/57/564420857.db2.gz XNEPWYNRPLJYBS-RISCZKNCSA-N 1 0 394.313 2.691 20 0 GFADRO O[C@H](C[NH2+]CCOc1ccc(Br)cc1)COc1ccccc1F ZINC000568501599 564421187 /nfs/dbraw/zinc/42/11/87/564421187.db2.gz RUTZGLGHVBDAMT-CQSZACIVSA-N 1 0 384.245 2.997 20 0 GFADRO COC(=O)C[C@@](C)([NH2+]CCN1CCO[C@@H](C)C1)c1ccc(Br)cc1 ZINC000513139451 564421831 /nfs/dbraw/zinc/42/18/31/564421831.db2.gz RJEBUKWTBPOZFW-KBXCAEBGSA-N 1 0 399.329 2.538 20 0 GFADRO COC(=O)c1cc(Cl)ccc1S(=O)(=O)NCC[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000513155774 564423219 /nfs/dbraw/zinc/42/32/19/564423219.db2.gz PVSRGQBFVFNULA-STQMWFEESA-N 1 0 388.917 2.668 20 0 GFADRO CS[C@@H]1CN(C(=O)Nc2cn(CC(C)C)nc2C(F)F)C[C@H]1[NH+](C)C ZINC000545438990 564423524 /nfs/dbraw/zinc/42/35/24/564423524.db2.gz WJANFXGJDZLDTB-CHWSQXEVSA-N 1 0 375.489 2.986 20 0 GFADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@@H]1CCO[C@@H](c2ccncc2)C1 ZINC000568604747 564426143 /nfs/dbraw/zinc/42/61/43/564426143.db2.gz GGOALZUYYYFQIA-KBRIMQKVSA-N 1 0 392.297 2.904 20 0 GFADRO CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)NCCc2c(Cl)cccc2Cl)C1 ZINC000479121930 564426118 /nfs/dbraw/zinc/42/61/18/564426118.db2.gz PAWQVCRPITXXPG-ZDUSSCGKSA-N 1 0 386.323 2.595 20 0 GFADRO Cc1csc(Sc2ccc(NC(=O)C(=O)N[C@H](C)C[C@H](C)[NH3+])cc2)n1 ZINC000568628083 564427561 /nfs/dbraw/zinc/42/75/61/564427561.db2.gz LPMVKBGURHQUPW-WDEREUQCSA-N 1 0 378.523 2.783 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2ccc(NC(C)=O)c(Cl)c2)C[C@H]1C ZINC000479237361 564433027 /nfs/dbraw/zinc/43/30/27/564433027.db2.gz HEQSNHCSWGDLQL-TZMCWYRMSA-N 1 0 387.933 2.792 20 0 GFADRO C[C@H](Cc1ccc(Br)cc1)[NH2+]CCN1C(=O)NC2(CCCC2)C1=O ZINC000479282299 564434308 /nfs/dbraw/zinc/43/43/08/564434308.db2.gz IJBWAXSIEVWSJD-CYBMUJFWSA-N 1 0 394.313 2.834 20 0 GFADRO C[C@H](Cc1ccc(Br)cc1)[NH2+]C1CCN(CCC(=O)N(C)C)CC1 ZINC000479272607 564434358 /nfs/dbraw/zinc/43/43/58/564434358.db2.gz RFLGICUUCAKQDL-OAHLLOKOSA-N 1 0 396.373 2.912 20 0 GFADRO CN(C)S(=O)(=O)CCC[N@H+]1CC=C(c2cccc(Br)c2)CC1 ZINC000545877897 564435476 /nfs/dbraw/zinc/43/54/76/564435476.db2.gz FVDGKJHJNJBFQB-UHFFFAOYSA-N 1 0 387.343 2.820 20 0 GFADRO C[C@@H](CNC(=O)NCCCn1cc(Br)cn1)[N@@H+]1CCCC[C@@H]1C ZINC000479346534 564436303 /nfs/dbraw/zinc/43/63/03/564436303.db2.gz LBROLUXTZCJWEP-KBPBESRZSA-N 1 0 386.338 2.598 20 0 GFADRO Cn1cc2c(n1)CCC[C@H]2[NH2+]CCNC(=O)c1cccc(Br)c1 ZINC000479403150 564439199 /nfs/dbraw/zinc/43/91/99/564439199.db2.gz YFXVGNFXYYLXSH-OAHLLOKOSA-N 1 0 377.286 2.580 20 0 GFADRO C[NH+](C)[C@@H]1CCN(C(=O)NCCc2c[nH]c3ccc(Br)cc23)C1 ZINC000568915412 564440664 /nfs/dbraw/zinc/44/06/64/564440664.db2.gz ZBYKJLYFMVIVTL-CQSZACIVSA-N 1 0 379.302 2.818 20 0 GFADRO Cc1cccc(C)c1OC[C@@H](O)C[N@H+](C)CCn1cc(Br)cn1 ZINC000568928890 564441673 /nfs/dbraw/zinc/44/16/73/564441673.db2.gz JLUZPBMBJYGJPY-INIZCTEOSA-N 1 0 382.302 2.634 20 0 GFADRO CC(C)[N@@H+]1CC[C@H](CNC(=O)[C@H]2CC(=O)Nc3ccc(Br)cc32)C1 ZINC000568982582 564443380 /nfs/dbraw/zinc/44/33/80/564443380.db2.gz AVVMMZDNNWTLNK-DOMZBBRYSA-N 1 0 394.313 2.721 20 0 GFADRO C[C@H](CC(=O)c1cccc(Br)c1)C(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000453041705 564444441 /nfs/dbraw/zinc/44/44/41/564444441.db2.gz UYTKYPUHSLHZLV-IVMMDQJWSA-N 1 0 379.298 2.821 20 0 GFADRO C[C@]1(CO)CCC[N@@H+]1C[C@H](O)COc1ccc(Cl)cc1Br ZINC000546104606 564445003 /nfs/dbraw/zinc/44/50/03/564445003.db2.gz MAHZQHYBQVQASB-SWLSCSKDSA-N 1 0 378.694 2.689 20 0 GFADRO Cc1cc(Br)cn2cc(CNC(=O)NCC3CC[NH+](C)CC3)nc12 ZINC000546119170 564445419 /nfs/dbraw/zinc/44/54/19/564445419.db2.gz JMTPYEWTFJCCNS-UHFFFAOYSA-N 1 0 394.317 2.546 20 0 GFADRO CCCN(CC[NH+]1CCCC1)C(=O)NCCCn1cc(Br)cn1 ZINC000514123696 564445521 /nfs/dbraw/zinc/44/55/21/564445521.db2.gz DJSFEGURYHOEJT-UHFFFAOYSA-N 1 0 386.338 2.553 20 0 GFADRO COc1ccc2c(c1)C[C@H]([NH2+]CCS(=O)(=O)c1ccc(Cl)cc1)CO2 ZINC000453092308 564446493 /nfs/dbraw/zinc/44/64/93/564446493.db2.gz QJXHHKNKAZOSGJ-HNNXBMFYSA-N 1 0 381.881 2.716 20 0 GFADRO COCC[C@@](C)(O)C[NH2+][C@@H](C)c1ccc(F)c(I)c1 ZINC000453110634 564446622 /nfs/dbraw/zinc/44/66/22/564446622.db2.gz CRLZQIUXNSAGPR-IINYFYTJSA-N 1 0 381.229 2.868 20 0 GFADRO C[NH+](C)CC1(CNC(=O)N[C@@H](CO)c2ccc(Br)cc2)CCCC1 ZINC000546155380 564446744 /nfs/dbraw/zinc/44/67/44/564446744.db2.gz WSOXNNUMSRAYSH-INIZCTEOSA-N 1 0 398.345 2.904 20 0 GFADRO COc1ccc2c(c1)C[C@@H]([NH2+]CCS(=O)(=O)c1ccc(Cl)cc1)CO2 ZINC000453092314 564447195 /nfs/dbraw/zinc/44/71/95/564447195.db2.gz QJXHHKNKAZOSGJ-OAHLLOKOSA-N 1 0 381.881 2.716 20 0 GFADRO CCOC(=O)[C@H](C)[C@H](C)[NH2+]C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000514247832 564448649 /nfs/dbraw/zinc/44/86/49/564448649.db2.gz HSIZPBAFHRWADM-SUNKGSAMSA-N 1 0 392.265 2.505 20 0 GFADRO C[C@@H]([NH2+]CC(=O)NCC1CC1)c1ccc(F)c(I)c1 ZINC000453197532 564450208 /nfs/dbraw/zinc/45/02/08/564450208.db2.gz NBKUHJCSQCWCIL-SECBINFHSA-N 1 0 376.213 2.607 20 0 GFADRO CC[C@@H](N[C@@H](C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1)C(F)F ZINC000453246137 564450469 /nfs/dbraw/zinc/45/04/69/564450469.db2.gz MIZBGQYTIPJCQY-XJKSGUPXSA-N 1 0 377.501 2.611 20 0 GFADRO [NH3+]C[C@@H]1c2ccccc2CCN1S(=O)(=O)c1cccc(Br)c1F ZINC000514603597 564450635 /nfs/dbraw/zinc/45/06/35/564450635.db2.gz TVCPOHARAANHNO-CQSZACIVSA-N 1 0 399.285 2.835 20 0 GFADRO COc1ccc(OC)c([C@@H](C)[NH2+]CCn2cc(Br)ccc2=O)c1 ZINC000453249291 564451217 /nfs/dbraw/zinc/45/12/17/564451217.db2.gz LVNIAZLCFJALHD-GFCCVEGCSA-N 1 0 381.270 2.979 20 0 GFADRO CC[C@@H](CNS(C)(=O)=O)[NH2+][C@@H]1CCc2cc(Br)cc(C)c21 ZINC000453289563 564452233 /nfs/dbraw/zinc/45/22/33/564452233.db2.gz SKZZVIXYTABCMJ-UONOGXRCSA-N 1 0 375.332 2.662 20 0 GFADRO COc1ccc(Br)cc1C[C@H](CO)C[NH2+][C@@H](C)c1cnn(C)c1 ZINC000453337245 564454005 /nfs/dbraw/zinc/45/40/05/564454005.db2.gz ATMGSJONVUPIIM-STQMWFEESA-N 1 0 382.302 2.693 20 0 GFADRO C[C@@]1(C[NH2+]Cc2ccc(Br)c(Br)c2)CCC(=O)N1 ZINC000453594115 564459375 /nfs/dbraw/zinc/45/93/75/564459375.db2.gz WOBYLOHXTPBHMJ-ZDUSSCGKSA-N 1 0 376.092 2.970 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+]C[C@]1(C)CCC(=O)N1 ZINC000453588721 564459475 /nfs/dbraw/zinc/45/94/75/564459475.db2.gz LQZGPKGEDUXDEH-KRWDZBQOSA-N 1 0 377.286 2.702 20 0 GFADRO CC[NH+]1CCN(CC(=O)N2CC=C(c3cccc(Br)c3)CC2)CC1 ZINC000546587524 564460062 /nfs/dbraw/zinc/46/00/62/564460062.db2.gz MOEKVNYNZYPBOE-UHFFFAOYSA-N 1 0 392.341 2.702 20 0 GFADRO COc1cc(C[NH2+][C@H](C)[C@H]2CCOC2)cc(I)c1OC ZINC000546667373 564464277 /nfs/dbraw/zinc/46/42/77/564464277.db2.gz JDJUMLCKRHVENV-PWSUYJOCSA-N 1 0 391.249 2.823 20 0 GFADRO C[C@@H]([NH2+]C[C@@H]1CC(=O)N(C2CC2)C1)c1ccccc1I ZINC000569462990 564464884 /nfs/dbraw/zinc/46/48/84/564464884.db2.gz CIGKWBYOIRRRFV-NEPJUHHUSA-N 1 0 384.261 2.953 20 0 GFADRO CN(Cc1ccccc1Br)C(=O)C[NH2+]C(C)(C)c1cnn(C)c1 ZINC000546705354 564465119 /nfs/dbraw/zinc/46/51/19/564465119.db2.gz QXCROILMFHKEPK-UHFFFAOYSA-N 1 0 379.302 2.666 20 0 GFADRO CC(C)[C@@](C)(O)C[NH2+][C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000480240115 564466261 /nfs/dbraw/zinc/46/62/61/564466261.db2.gz JLFCCYZMCUAWTD-HIFRSBDPSA-N 1 0 376.316 2.664 20 0 GFADRO C[C@@H]1CN(C[C@@H](O)C[NH2+]CCOCc2ccc(Cl)cc2Cl)C[C@H](C)O1 ZINC000515054712 564466394 /nfs/dbraw/zinc/46/63/94/564466394.db2.gz MRWBUUDXIGRDHG-VBQJREDUSA-N 1 0 391.339 2.570 20 0 GFADRO O=S1(=O)CC[C@@H]([NH2+]C[C@H]2CCN(C3CC3)C2)c2cc(Br)ccc21 ZINC000480272020 564466720 /nfs/dbraw/zinc/46/67/20/564466720.db2.gz BJJWYJDAOCFPLD-MLGOLLRUSA-N 1 0 399.354 2.742 20 0 GFADRO CSc1ccc([C@@H](CNC(=O)Nc2nnc(C3CC3)s2)[NH+](C)C)cc1 ZINC000569547029 564468021 /nfs/dbraw/zinc/46/80/21/564468021.db2.gz WKLNWHMBLUXELV-CQSZACIVSA-N 1 0 377.539 3.562 20 0 GFADRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)Nc1ccc(-c2ccc(Br)s2)nn1 ZINC000569556707 564468625 /nfs/dbraw/zinc/46/86/25/564468625.db2.gz VWDCFAXJKNLWOB-ZJUUUORDSA-N 1 0 396.314 3.169 20 0 GFADRO Cc1c(Br)cccc1NC(=O)C(=O)N1CC[N@@H+](C2CC2)C[C@H](C)C1 ZINC000453765803 564470115 /nfs/dbraw/zinc/47/01/15/564470115.db2.gz FSJSOELUYPAKRY-LBPRGKRZSA-N 1 0 394.313 2.639 20 0 GFADRO COCC[C@@H](Cc1cccc(Br)c1)C(=O)N(C)C1(C[NH3+])CCC1 ZINC000569595435 564470776 /nfs/dbraw/zinc/47/07/76/564470776.db2.gz UUESBVZWIWXUCD-HNNXBMFYSA-N 1 0 383.330 2.984 20 0 GFADRO Cc1cc(Br)cc(NC(=O)C(=O)N2CC[N@@H+](C3CC3)C[C@@H](C)C2)c1 ZINC000453772881 564471318 /nfs/dbraw/zinc/47/13/18/564471318.db2.gz ZNQYORMWLDYNHL-CYBMUJFWSA-N 1 0 394.313 2.639 20 0 GFADRO C[C@@H]1Cc2cc(S(=O)(=O)N3CCC[C@H]([C@H]4CC[NH2+]C4)C3)cc(Cl)c2O1 ZINC000569606008 564471599 /nfs/dbraw/zinc/47/15/99/564471599.db2.gz XRHOIOCNJQGTAI-RDBSUJKOSA-N 1 0 384.929 2.674 20 0 GFADRO CS[C@H]1CN(C(=O)Nc2ccc(F)cc2OCC(F)F)C[C@H]1[NH+](C)C ZINC000546852214 564471784 /nfs/dbraw/zinc/47/17/84/564471784.db2.gz BCUIYXWPQMYNJY-OCCSQVGLSA-N 1 0 377.432 2.979 20 0 GFADRO O=C1[C@@H](N2CC[C@@]3(C2)CCC[NH2+]C3)CCN1c1cccc(Br)c1 ZINC000569724116 564476247 /nfs/dbraw/zinc/47/62/47/564476247.db2.gz YIABIOGNMMTAIN-WMZOPIPTSA-N 1 0 378.314 2.630 20 0 GFADRO CC(C)(C)C(=O)NCc1ccc(Cl)c(C(=O)N[C@@H](CC[NH3+])C(F)F)c1 ZINC000515351517 564476628 /nfs/dbraw/zinc/47/66/28/564476628.db2.gz IJQOPIDYFHBBIB-ZDUSSCGKSA-N 1 0 375.847 2.715 20 0 GFADRO O=C(CC[NH2+]C1CC1)NCc1ccc(I)c(Cl)c1 ZINC000515389508 564477713 /nfs/dbraw/zinc/47/77/13/564477713.db2.gz WOTBRVRYJRGJIM-UHFFFAOYSA-N 1 0 378.641 2.703 20 0 GFADRO C[NH+]1CCN(c2ccnc(-c3noc(-c4occc4Br)n3)c2)CC1 ZINC000547221299 564480571 /nfs/dbraw/zinc/48/05/71/564480571.db2.gz NWPDCMGMKJJURF-UHFFFAOYSA-N 1 0 390.241 2.906 20 0 GFADRO C[C@@H]([NH2+]CCS(=O)(=O)NCc1ccccc1)c1cncc(Br)c1 ZINC000569868214 564481076 /nfs/dbraw/zinc/48/10/76/564481076.db2.gz UOZLIBKKMQNRQK-CYBMUJFWSA-N 1 0 398.326 2.614 20 0 GFADRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2cc(Cl)c(Cl)cc2F)C1 ZINC000569893638 564483225 /nfs/dbraw/zinc/48/32/25/564483225.db2.gz UWWGIBRZAFMHAE-JTQLQIEISA-N 1 0 376.259 2.918 20 0 GFADRO Cc1cccc2c1OC[C@@H]([NH2+][C@H](C(N)=O)c1cccc(Br)c1)C2 ZINC000569895158 564483331 /nfs/dbraw/zinc/48/33/31/564483331.db2.gz NWULMZQAJLYSMZ-HOTGVXAUSA-N 1 0 375.266 2.877 20 0 GFADRO [NH3+]Cc1cn([C@H]2CCCN(c3ccc4cc(Br)ccc4n3)C2)nn1 ZINC000569912821 564483854 /nfs/dbraw/zinc/48/38/54/564483854.db2.gz IDRIRQGVOUDZHH-HNNXBMFYSA-N 1 0 387.285 2.889 20 0 GFADRO C[C@H](C[C@H](C)[NH3+])NC(=O)N(CCn1ccnc1)Cc1ccc(Br)o1 ZINC000515644693 564484868 /nfs/dbraw/zinc/48/48/68/564484868.db2.gz HBRNUPSZLSAUPK-QWHCGFSZSA-N 1 0 398.305 2.576 20 0 GFADRO COC[C@@H]([NH2+]CCNS(=O)(=O)c1ccc(F)cc1Cl)c1ccccc1 ZINC000569952317 564485000 /nfs/dbraw/zinc/48/50/00/564485000.db2.gz FYZYPLLOFRYLGC-MRXNPFEDSA-N 1 0 386.876 2.735 20 0 GFADRO C[C@H](C(=O)N(C)CCC[N@H+](C)CCN(C)C)c1ccc(Br)s1 ZINC000515706583 564486021 /nfs/dbraw/zinc/48/60/21/564486021.db2.gz YAUALUMFAURTRK-ZDUSSCGKSA-N 1 0 390.391 2.956 20 0 GFADRO C[NH+](C)CC1(NC(=O)c2cc(=O)c3cc(Br)ccc3[nH]2)CCC1 ZINC000547406285 564487966 /nfs/dbraw/zinc/48/79/66/564487966.db2.gz UITGLQNFGMUAJF-UHFFFAOYSA-N 1 0 378.270 2.505 20 0 GFADRO C[NH2+][C@H](C)Cc1noc(/C=C\c2cc(Br)c3c(c2)OCCO3)n1 ZINC000515844051 564488432 /nfs/dbraw/zinc/48/84/32/564488432.db2.gz LMEGNGYBISIRKQ-UMBAGQNISA-N 1 0 380.242 2.924 20 0 GFADRO COc1ccc(Br)c(CNC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)c1 ZINC000515844700 564488567 /nfs/dbraw/zinc/48/85/67/564488567.db2.gz IPMSZCFRNHPHMP-CVEARBPZSA-N 1 0 382.302 2.884 20 0 GFADRO OC1(C[NH+]2CCOCC2)CCN(c2nc3cc(Cl)cc(Cl)c3o2)CC1 ZINC000515965470 564490462 /nfs/dbraw/zinc/49/04/62/564490462.db2.gz KCBCJMDHBWGUQX-UHFFFAOYSA-N 1 0 386.279 2.798 20 0 GFADRO C[N@@H+]1CCC[C@H]2CN(S(=O)(=O)c3ccc(F)c(Br)c3)CC[C@@H]21 ZINC000480844466 564490773 /nfs/dbraw/zinc/49/07/73/564490773.db2.gz OKDAFOYUNHDLNW-NHYWBVRUSA-N 1 0 391.306 2.693 20 0 GFADRO C[N@@H+]1CCC[C@H]2CN(S(=O)(=O)c3ccc(F)c(Br)c3)CC[C@H]21 ZINC000480844467 564490886 /nfs/dbraw/zinc/49/08/86/564490886.db2.gz OKDAFOYUNHDLNW-XHDPSFHLSA-N 1 0 391.306 2.693 20 0 GFADRO C[C@@H](CNC(=O)C1CCN(C(=O)c2ccc(Cl)s2)CC1)[NH+]1CCCC1 ZINC000515996491 564491341 /nfs/dbraw/zinc/49/13/41/564491341.db2.gz UAHCXLGMHOZIOY-ZDUSSCGKSA-N 1 0 383.945 2.854 20 0 GFADRO Cc1cc(N2CC[C@H](NC(=O)[C@@H]3CCCCC[NH2+]3)C2=O)ccc1Br ZINC000516067956 564492054 /nfs/dbraw/zinc/49/20/54/564492054.db2.gz NWUQGWZGLLISNT-HOTGVXAUSA-N 1 0 394.313 2.511 20 0 GFADRO C[C@@H](NS(=O)(=O)c1cncc(Br)c1)[C@H](c1ccccc1)[NH+](C)C ZINC000480896825 564494669 /nfs/dbraw/zinc/49/46/69/564494669.db2.gz JGXNDBCJCOJJIC-MLGOLLRUSA-N 1 0 398.326 2.814 20 0 GFADRO O[C@H](COC[C@H]1CCCO1)C[N@@H+]1CC[C@@H](Cc2ccc(Br)cc2)C1 ZINC000570235712 564496819 /nfs/dbraw/zinc/49/68/19/564496819.db2.gz WSOZQBFDJFZVHA-YTQUADARSA-N 1 0 398.341 2.870 20 0 GFADRO O=S(=O)(c1ccc(C(F)(F)F)cn1)N1CCC([NH+]2CCCCC2)CC1 ZINC000480948432 564497005 /nfs/dbraw/zinc/49/70/05/564497005.db2.gz FWPJKWHSXMMFNI-UHFFFAOYSA-N 1 0 377.432 2.739 20 0 GFADRO [NH3+]C[C@H]1c2ccccc2CCN1S(=O)(=O)c1ccc(Br)c(F)c1 ZINC000570279150 564498648 /nfs/dbraw/zinc/49/86/48/564498648.db2.gz HRJDVVMLIWEKNB-INIZCTEOSA-N 1 0 399.285 2.835 20 0 GFADRO CCOC(=O)COc1ccc(C[N@H+](C)CCn2cc(Br)cn2)cc1 ZINC000516349734 564500477 /nfs/dbraw/zinc/50/04/77/564500477.db2.gz DFAUQOYFOXFUOH-UHFFFAOYSA-N 1 0 396.285 2.720 20 0 GFADRO Cc1nc(CNC(=O)NCC[N@H+]2CCC[C@@H](C)C2)sc1Br ZINC000454313490 564505512 /nfs/dbraw/zinc/50/55/12/564505512.db2.gz HVBNTTTVJXATAL-SNVBAGLBSA-N 1 0 375.336 2.745 20 0 GFADRO C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@H]1CCn2ccnc2C1 ZINC000547654661 564506008 /nfs/dbraw/zinc/50/60/08/564506008.db2.gz WKBGGIXFKUACAB-WFASDCNBSA-N 1 0 377.286 2.967 20 0 GFADRO COCC[NH2+]C1CCN(C(=O)CCCOc2ccccc2Br)CC1 ZINC000516578282 564506192 /nfs/dbraw/zinc/50/61/92/564506192.db2.gz BNMBHHZPPVUNLP-UHFFFAOYSA-N 1 0 399.329 2.835 20 0 GFADRO CC[C@@H]1C[N@H+](C)CCCN1S(=O)(=O)c1ccc(OCC(F)(F)F)cc1 ZINC000570486909 564508506 /nfs/dbraw/zinc/50/85/06/564508506.db2.gz OWUIFQYDKKDUAN-CYBMUJFWSA-N 1 0 380.432 2.733 20 0 GFADRO CC[C@@H](CNS(C)(=O)=O)[NH2+]Cc1cc2cc(Br)ccc2o1 ZINC000516664395 564509136 /nfs/dbraw/zinc/50/91/36/564509136.db2.gz NGAVOECQDQIOIV-LBPRGKRZSA-N 1 0 375.288 2.613 20 0 GFADRO C[C@H]([NH2+]C[C@H]1CCN(CC(F)(F)F)C1)c1cccc(NS(C)(=O)=O)c1 ZINC000481321671 564509929 /nfs/dbraw/zinc/50/99/29/564509929.db2.gz LBWGVJVYTHUKPU-QWHCGFSZSA-N 1 0 379.448 2.593 20 0 GFADRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)N1CCN(C(=O)c2cccc(Cl)c2Cl)CC1 ZINC000570512489 564510178 /nfs/dbraw/zinc/51/01/78/564510178.db2.gz JWTGAXOZIJCBRT-VXGBXAGGSA-N 1 0 387.311 2.587 20 0 GFADRO C[NH+](C)[C@@]1(CNC(=O)NCc2cc(Br)cs2)CCSC1 ZINC000481316134 564510173 /nfs/dbraw/zinc/51/01/73/564510173.db2.gz COJVNLHXYNSHTQ-CYBMUJFWSA-N 1 0 378.361 2.747 20 0 GFADRO C[C@@H]1C[C@@H](C)[NH+]1CC(=O)N1CCN(Cc2ccc(Br)s2)CC1 ZINC000547770837 564510453 /nfs/dbraw/zinc/51/04/53/564510453.db2.gz QDTRVULYRVAZSL-CHWSQXEVSA-N 1 0 386.359 2.638 20 0 GFADRO C[NH+](C)[C@]1(CNS(=O)(=O)c2cc(C(F)(F)F)ccc2F)CCSC1 ZINC000481347995 564510546 /nfs/dbraw/zinc/51/05/46/564510546.db2.gz WKSCOMCDAOGQRY-ZDUSSCGKSA-N 1 0 386.436 2.560 20 0 GFADRO COCC[N@H+](C)C[C@H](O)CN1CCC[C@H]1c1ccc(Br)s1 ZINC000570525228 564510870 /nfs/dbraw/zinc/51/08/70/564510870.db2.gz FYMTYLHEHARDGP-STQMWFEESA-N 1 0 377.348 2.587 20 0 GFADRO O=C(NCc1c(Cl)cccc1Cl)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000570587863 564512383 /nfs/dbraw/zinc/51/23/83/564512383.db2.gz SWNHXTIDNHDUEW-CYBMUJFWSA-N 1 0 384.307 2.696 20 0 GFADRO O=S1(=O)CC[C@H]([NH2+][C@H]2CCO[C@@H]2C2CC2)c2cc(Br)ccc21 ZINC000547827875 564512473 /nfs/dbraw/zinc/51/24/73/564512473.db2.gz UNIICDIAIGEDKY-OFQRWUPVSA-N 1 0 386.311 2.825 20 0 GFADRO OC[C@H]([NH2+]Cc1nc(-c2ccc(Br)cc2)c[nH]1)C1CCOCC1 ZINC000570715168 564517970 /nfs/dbraw/zinc/51/79/70/564517970.db2.gz SFUVMVCZUFHSNO-INIZCTEOSA-N 1 0 380.286 2.716 20 0 GFADRO CCC[C@H]1C[NH2+]CCN1C(=O)c1ccc(F)cc1I ZINC000516969729 564519143 /nfs/dbraw/zinc/51/91/43/564519143.db2.gz SSPRJBHJNPERMF-NSHDSACASA-N 1 0 376.213 2.644 20 0 GFADRO CCOC(=O)C[C@H]1C[C@H](OC)C[N@@H+]1CCOc1ccc(Br)cc1 ZINC000481728450 564520283 /nfs/dbraw/zinc/52/02/83/564520283.db2.gz XSQHGVBFPJGAHQ-ZBFHGGJFSA-N 1 0 386.286 2.870 20 0 GFADRO COCC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)Cc2ccc(F)c(Br)c2)C1 ZINC000481751789 564521596 /nfs/dbraw/zinc/52/15/96/564521596.db2.gz BJSQHWUVVUFZRV-JSGCOSHPSA-N 1 0 387.293 2.604 20 0 GFADRO Cc1nc(Cc2ccccc2)sc1[C@H](C)[NH2+][C@@H]1CCN(S(C)(=O)=O)C1 ZINC000517035856 564522205 /nfs/dbraw/zinc/52/22/05/564522205.db2.gz QVDBIBMPNIUSCM-XJKSGUPXSA-N 1 0 379.551 2.727 20 0 GFADRO CCC[N@@H+]1CCC[C@H]1CNC(=O)Nc1ccc(NS(C)(=O)=O)c(Cl)c1 ZINC000454852749 564523968 /nfs/dbraw/zinc/52/39/68/564523968.db2.gz JVDWYRRXNVXCEU-ZDUSSCGKSA-N 1 0 388.921 2.707 20 0 GFADRO C[NH+](C)[C@]1(CNC(=O)N2CCO[C@H](c3ccccc3Cl)C2)CCSC1 ZINC000481788964 564524111 /nfs/dbraw/zinc/52/41/11/564524111.db2.gz PCJHAHUHPMMNQD-WMZOPIPTSA-N 1 0 383.945 2.860 20 0 GFADRO OC[C@@H](C[NH2+]Cc1cn(-c2cccc(Cl)c2Cl)nn1)c1cccnc1 ZINC000570846402 564524305 /nfs/dbraw/zinc/52/43/05/564524305.db2.gz GAIYXSDENYTYLR-CYBMUJFWSA-N 1 0 378.263 2.835 20 0 GFADRO C[N@H+](CCNC(=O)c1ccc(I)cn1)Cc1ccccc1 ZINC000454959820 564529948 /nfs/dbraw/zinc/52/99/48/564529948.db2.gz PGHKIFQDSTXTIV-UHFFFAOYSA-N 1 0 395.244 2.548 20 0 GFADRO O=C(CC[NH+]1CCC2(CC1)CCS(=O)(=O)CC2)Nc1cccc(Cl)c1 ZINC000570998744 564530610 /nfs/dbraw/zinc/53/06/10/564530610.db2.gz HTCNNOOIRLIDGY-UHFFFAOYSA-N 1 0 384.929 2.959 20 0 GFADRO C[C@H]1C[NH+](CCC2CCN(c3ncncc3Br)CC2)C[C@H](C)O1 ZINC000482000811 564531716 /nfs/dbraw/zinc/53/17/16/564531716.db2.gz QBEZBQWXCWQLMJ-KBPBESRZSA-N 1 0 383.334 2.955 20 0 GFADRO CC[NH+]1CCN(CC(=O)N[C@H](c2cc(F)cc(Br)c2)C2CC2)CC1 ZINC000482032805 564532270 /nfs/dbraw/zinc/53/22/70/564532270.db2.gz MXTQSASXFOOMNQ-SFHVURJKSA-N 1 0 398.320 2.793 20 0 GFADRO O[C@@H](COc1cc(F)cc(Br)c1)C[N@@H+]1CCCC[C@@H]1C1(O)CC1 ZINC000571024333 564532581 /nfs/dbraw/zinc/53/25/81/564532581.db2.gz PCRHFYAAVFBFNB-GDBMZVCRSA-N 1 0 388.277 2.707 20 0 GFADRO Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)NC(=O)C[N@H+](C)[C@H]1CCSC1 ZINC000482055851 564532618 /nfs/dbraw/zinc/53/26/18/564532618.db2.gz ZUHXPMSVHXDHBS-GWCFXTLKSA-N 1 0 378.464 2.677 20 0 GFADRO COCC[N@@H+]1CC[C@H](NC(=O)c2oc3ccc(Br)cc3c2C)C1 ZINC000517404886 564533081 /nfs/dbraw/zinc/53/30/81/564533081.db2.gz WOCNMVLEXHCIST-ZDUSSCGKSA-N 1 0 381.270 2.954 20 0 GFADRO COc1ccc(S(=O)(=O)NCC2([NH+]3CCSCC3)CCCCC2)cc1 ZINC000482077604 564533222 /nfs/dbraw/zinc/53/32/22/564533222.db2.gz OTXGKKXPJPBBPP-UHFFFAOYSA-N 1 0 384.567 2.725 20 0 GFADRO Cc1cc(NC(=O)C[NH2+][C@H](C2CC2)[C@]2(CO)CCCO2)ccc1Br ZINC000571057750 564534313 /nfs/dbraw/zinc/53/43/13/564534313.db2.gz BSIHNHGMJOHVEP-QZTJIDSGSA-N 1 0 397.313 2.606 20 0 GFADRO C[NH+](C)CCn1ccc(C(=O)N[C@H](CCO)c2ccc(Cl)c(Cl)c2)n1 ZINC000571060098 564534361 /nfs/dbraw/zinc/53/43/61/564534361.db2.gz ZYACYAZXORORQE-OAHLLOKOSA-N 1 0 385.295 2.605 20 0 GFADRO Cc1cc(Br)c(NC(=O)N2CCN(C)C[C@@H]2C[NH3+])cc1Cl ZINC000517535910 564535406 /nfs/dbraw/zinc/53/54/06/564535406.db2.gz MXKUXBCEXZJUKJ-JTQLQIEISA-N 1 0 375.698 2.518 20 0 GFADRO CS(=O)(=O)c1ccc(C[NH2+][C@@H]2CC(=O)N(c3ccccc3Cl)C2)cc1 ZINC000517559807 564536263 /nfs/dbraw/zinc/53/62/63/564536263.db2.gz QURKJNVEORFTFJ-CQSZACIVSA-N 1 0 378.881 2.639 20 0 GFADRO COC(=O)c1ccc(Cl)c(C[NH2+]Cc2ccc(NS(C)(=O)=O)cc2)c1 ZINC000482171488 564536757 /nfs/dbraw/zinc/53/67/57/564536757.db2.gz SXEMAKHFXDMVMT-UHFFFAOYSA-N 1 0 382.869 2.788 20 0 GFADRO Cc1c(C(=O)NCCC[C@H]2CCC[NH2+]2)nnn1-c1cccc(Br)c1 ZINC000517555539 564536790 /nfs/dbraw/zinc/53/67/90/564536790.db2.gz FWUQCEWHUUDDDK-CQSZACIVSA-N 1 0 392.301 2.600 20 0 GFADRO COCc1nc(CNC(=O)C[C@@H]2CSCC[NH2+]2)c(-c2ccccc2)s1 ZINC000571196152 564539856 /nfs/dbraw/zinc/53/98/56/564539856.db2.gz GOCBRNIGTWOPDJ-CQSZACIVSA-N 1 0 377.535 2.668 20 0 GFADRO CC[NH+]1C[C@H](C)N(C(=O)c2c(C)nc3ccc(Br)cn32)[C@@H](C)C1 ZINC000571201001 564540116 /nfs/dbraw/zinc/54/01/16/564540116.db2.gz KPURSKGABADLQQ-RYUDHWBXSA-N 1 0 379.302 2.960 20 0 GFADRO O[C@@H](C[NH2+]C[C@@H]1CCC[C@H]1O)COc1ccc(Cl)cc1Br ZINC000571209228 564540785 /nfs/dbraw/zinc/54/07/85/564540785.db2.gz OWOOMZAWMTWRJL-VHRBIJSZSA-N 1 0 378.694 2.593 20 0 GFADRO C[C@@H]1CCN(C(=O)c2ccc(-n3cc(Br)cn3)cc2)C[C@H]1C[NH3+] ZINC000517731045 564541450 /nfs/dbraw/zinc/54/14/50/564541450.db2.gz DDOGLPPASKQCGY-TZMCWYRMSA-N 1 0 377.286 2.692 20 0 GFADRO Cc1[nH]c(=O)sc1S(=O)(=O)NCC[NH2+]CC1CCC(C(C)(C)C)CC1 ZINC000482538088 564544894 /nfs/dbraw/zinc/54/48/94/564544894.db2.gz SMKONUOOAYFLJA-UHFFFAOYSA-N 1 0 389.587 2.878 20 0 GFADRO C[C@@H]1CN(C(=O)Nc2cc(Br)c(F)cc2F)C[C@H](C)N1CCO ZINC000455262989 564545695 /nfs/dbraw/zinc/54/56/95/564545695.db2.gz WJVURVOUPODPGY-AOOOYVTPSA-N 1 0 392.244 2.646 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)NC[C@H]2CC[N@@H+](C(C)C)C2)cc1Br ZINC000548274773 564546245 /nfs/dbraw/zinc/54/62/45/564546245.db2.gz PVEWLQASFAIMIF-CQSZACIVSA-N 1 0 396.329 2.851 20 0 GFADRO O[C@H]([C@H]1CCCN1Cc1cn2ccc(Br)cc2n1)C(F)(F)F ZINC000518152964 564547044 /nfs/dbraw/zinc/54/70/44/564547044.db2.gz TZAMBNVSDKNLNE-DGCLKSJQSA-N 1 0 378.192 2.984 20 0 GFADRO C[C@H](CNS(=O)(=O)c1cc(Br)ccc1Cl)[NH+]1CCCC1 ZINC000548369382 564549983 /nfs/dbraw/zinc/54/99/83/564549983.db2.gz ZDCPCNSZRNTFNS-SNVBAGLBSA-N 1 0 381.723 2.865 20 0 GFADRO O=C(N[C@@H](c1cncc(Br)c1)C1CC1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000518345878 564551397 /nfs/dbraw/zinc/55/13/97/564551397.db2.gz XEWDPUYRUOXRSZ-JKSUJKDBSA-N 1 0 379.302 2.831 20 0 GFADRO C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)Nc1ccc(C(F)(F)F)cc1Br ZINC000571444192 564551734 /nfs/dbraw/zinc/55/17/34/564551734.db2.gz ISQZZEQJEKVITC-SFYZADRCSA-N 1 0 396.207 2.648 20 0 GFADRO CNC(=O)c1cccc(NC(=O)NCCCC[N@H+](C)C2CC2)c1Br ZINC000455414658 564553228 /nfs/dbraw/zinc/55/32/28/564553228.db2.gz AWSWVSOJFMQMJX-UHFFFAOYSA-N 1 0 397.317 2.805 20 0 GFADRO C[C@@H](CNC(=O)N[C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O)[NH+](C)C ZINC000455431099 564553434 /nfs/dbraw/zinc/55/34/34/564553434.db2.gz LDDZLVRLNBITOW-SMDDNHRTSA-N 1 0 387.311 2.738 20 0 GFADRO COCCOc1ccc(Br)cc1NC(=O)N1CCC[C@H](C[NH3+])C1 ZINC000571504489 564554443 /nfs/dbraw/zinc/55/44/43/564554443.db2.gz FWFZWGIAYXOJME-GFCCVEGCSA-N 1 0 386.290 2.677 20 0 GFADRO Cc1sc(C(=O)Nc2nc(C3CC[NH2+]CC3)cs2)cc1CS(C)(=O)=O ZINC000518532129 564556162 /nfs/dbraw/zinc/55/61/62/564556162.db2.gz XSJMIQXBHXTJQI-UHFFFAOYSA-N 1 0 399.563 2.777 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CC[NH2+]C[C@@H](O)CC(F)(F)F ZINC000571671216 564561847 /nfs/dbraw/zinc/56/18/47/564561847.db2.gz WQCGJDUEYUPBTL-NSHDSACASA-N 1 0 383.208 2.989 20 0 GFADRO CC(C)[N@H+](C)C[C@H](O)CN1C(=O)C[C@@](C)(c2ccc(Cl)c(Cl)c2)C1=O ZINC000571776704 564566361 /nfs/dbraw/zinc/56/63/61/564566361.db2.gz JQTLACMQZCDEGJ-UGSOOPFHSA-N 1 0 387.307 2.711 20 0 GFADRO COc1cc(I)ccc1NC(=O)N[C@H](C)CC[NH+](C)C ZINC000455735904 564567550 /nfs/dbraw/zinc/56/75/50/564567550.db2.gz NLEGBNCVQJHIAH-SNVBAGLBSA-N 1 0 391.253 2.762 20 0 GFADRO CN(CC[NH+]1CCCC1)Cc1ccc(Br)cc1N1CCOCC1 ZINC000571806531 564568066 /nfs/dbraw/zinc/56/80/66/564568066.db2.gz NXABTRWGGHYWBU-UHFFFAOYSA-N 1 0 382.346 2.813 20 0 GFADRO C[C@H](NC(=O)CN1CC[C@]2(C1)CCC[NH2+]C2)c1ccc(Br)cc1 ZINC000571921292 564572718 /nfs/dbraw/zinc/57/27/18/564572718.db2.gz KJIYVDFBVMTVGB-KBXCAEBGSA-N 1 0 380.330 2.702 20 0 GFADRO COC(=O)c1cc(C[NH2+]Cc2cc(Br)c(OC)c(OC)c2)cn1C ZINC000571923350 564572883 /nfs/dbraw/zinc/57/28/83/564572883.db2.gz DTOYZNBZSOLZJQ-UHFFFAOYSA-N 1 0 397.269 2.881 20 0 GFADRO CC[C@H](C)[C@@H](C[NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1)OC ZINC000519387524 564576041 /nfs/dbraw/zinc/57/60/41/564576041.db2.gz JYONYCVVCYTVTO-SGIREYDYSA-N 1 0 378.282 2.979 20 0 GFADRO C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1NC(=O)c1ccn(-c2cccc(Br)c2)n1 ZINC000572030231 564578170 /nfs/dbraw/zinc/57/81/70/564578170.db2.gz JKFTZEJYFVXKIY-BFQNTYOBSA-N 1 0 377.286 2.751 20 0 GFADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)CCOc1ccc(C)cc1Br ZINC000519433703 564578250 /nfs/dbraw/zinc/57/82/50/564578250.db2.gz AOBKOKPRUJFAAA-HNNXBMFYSA-N 1 0 399.329 2.753 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H](CNC(=O)c2ccn(-c3cccc(Br)c3)n2)C1 ZINC000519536313 564579787 /nfs/dbraw/zinc/57/97/87/564579787.db2.gz CTEACAIXBPMWHD-TZMCWYRMSA-N 1 0 377.286 2.882 20 0 GFADRO O=C1C[C@H](NCc2cn(-c3ccc(Cl)c(Cl)c3)nn2)[C@@H]2CCCCN12 ZINC000548976103 564582250 /nfs/dbraw/zinc/58/22/50/564582250.db2.gz BCCHVIMPJXODHE-HOTGVXAUSA-N 1 0 380.279 2.817 20 0 GFADRO CCc1nc(C(=O)N2CC[C@@H]([C@@H](C)[NH3+])C2)nn1-c1c(Cl)cccc1Cl ZINC000484201331 564583172 /nfs/dbraw/zinc/58/31/72/564583172.db2.gz MKGZGHMQAACXBT-GHMZBOCLSA-N 1 0 382.295 2.946 20 0 GFADRO C[C@H](CCNC(=O)c1ccc(I)cn1)[NH+]1CCCCC1 ZINC000456006345 564583769 /nfs/dbraw/zinc/58/37/69/564583769.db2.gz MEKLPPZMTCOOAI-GFCCVEGCSA-N 1 0 387.265 2.681 20 0 GFADRO CCC[C@H](C)[C@@H](CO)[NH2+]C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000519647042 564584928 /nfs/dbraw/zinc/58/49/28/564584928.db2.gz IEXKTPGXJFJLDQ-HZUKXOBISA-N 1 0 378.282 2.715 20 0 GFADRO CSC1(CNS(=O)(=O)c2ccc(OC(F)F)c(F)c2)CC[NH+](C)CC1 ZINC000572208689 564585156 /nfs/dbraw/zinc/58/51/56/564585156.db2.gz ZXXHYKWWWOVPCG-UHFFFAOYSA-N 1 0 398.472 2.533 20 0 GFADRO CCC[C@H](C)[C@H](CO)[NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000519647074 564585537 /nfs/dbraw/zinc/58/55/37/564585537.db2.gz IEXKTPGXJFJLDQ-PEYYIBSZSA-N 1 0 378.282 2.715 20 0 GFADRO CNC(=O)Cc1noc(CN[C@@](C)(c2ccc(Br)cc2)C(C)C)n1 ZINC000484335959 564586590 /nfs/dbraw/zinc/58/65/90/564586590.db2.gz YZRNSCMUXGJOII-QGZVFWFLSA-N 1 0 395.301 2.782 20 0 GFADRO OC[C@H](Cc1ccc(O)cc1)[NH2+]C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000572243410 564586903 /nfs/dbraw/zinc/58/69/03/564586903.db2.gz XVRSDNHPMLCRDW-DZGCQCFKSA-N 1 0 386.275 2.632 20 0 GFADRO CCC[N@H+](CC)C[C@H](C)NC(=O)c1ccc(I)cn1 ZINC000456062645 564586897 /nfs/dbraw/zinc/58/68/97/564586897.db2.gz LDYIOZXTTFYQLP-NSHDSACASA-N 1 0 375.254 2.536 20 0 GFADRO C[N@@H+]1CCN(CCNC(=O)[C@@H]2C[C@H]2c2cccc(Br)c2)CC1(C)C ZINC000456078817 564586992 /nfs/dbraw/zinc/58/69/92/564586992.db2.gz ZNDWBEKXJUHBBV-DLBZAZTESA-N 1 0 394.357 2.695 20 0 GFADRO CO[C@H](C)CCNC(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000549302387 564591373 /nfs/dbraw/zinc/59/13/73/564591373.db2.gz AOXANHBBNNAYPP-CQSZACIVSA-N 1 0 386.334 2.947 20 0 GFADRO C[C@@H]1CN(C(=O)CCOc2ccc(Cl)cc2Cl)C[C@H](C)[N@H+]1CCO ZINC000456212166 564595509 /nfs/dbraw/zinc/59/55/09/564595509.db2.gz OWKFOVRGPSGYTA-BETUJISGSA-N 1 0 375.296 2.676 20 0 GFADRO C[C@H](CO)CCC[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000572475378 564595909 /nfs/dbraw/zinc/59/59/09/564595909.db2.gz APIYOEGADMQIPC-WCQYABFASA-N 1 0 380.710 2.840 20 0 GFADRO CC[NH+](CC)C[C@H](C)NC(=O)[C@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000519994924 564595998 /nfs/dbraw/zinc/59/59/98/564595998.db2.gz DZWCNAXDXPIHLU-KBPBESRZSA-N 1 0 396.329 2.649 20 0 GFADRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)Nc1ccc(Br)cc1Cl ZINC000520014708 564596230 /nfs/dbraw/zinc/59/62/30/564596230.db2.gz OSOSGSOAMCRULN-SNVBAGLBSA-N 1 0 390.709 2.888 20 0 GFADRO O=S(=O)(NCCCCC[NH+]1CCCC1)c1cc2c(cc1Cl)OCCO2 ZINC000549524000 564596635 /nfs/dbraw/zinc/59/66/35/564596635.db2.gz BVJJDFUOJVCQLF-UHFFFAOYSA-N 1 0 388.917 2.656 20 0 GFADRO C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1CCc2c1ccc(F)c2Br ZINC000456280918 564598640 /nfs/dbraw/zinc/59/86/40/564598640.db2.gz UOPUBGXFNYXNNI-IAQYHMDHSA-N 1 0 385.277 2.660 20 0 GFADRO CCN(CC)[C@H](C)C[NH2+]CCS(=O)(=O)c1cccc(Br)c1 ZINC000520219769 564599324 /nfs/dbraw/zinc/59/93/24/564599324.db2.gz LGQQLZFEWJYFRD-CYBMUJFWSA-N 1 0 377.348 2.543 20 0 GFADRO CC1CC[NH+](C[C@H](O)CNC(=O)NCCc2c(Cl)cccc2Cl)CC1 ZINC000520242801 564600208 /nfs/dbraw/zinc/60/02/08/564600208.db2.gz DVNJOZLNDVSCDT-CQSZACIVSA-N 1 0 388.339 2.928 20 0 GFADRO C[NH+](C)C[C@H](NC(=O)Cn1cc(Br)cn1)c1ccc(Cl)cc1 ZINC000549618221 564600353 /nfs/dbraw/zinc/60/03/53/564600353.db2.gz ZEWAOOWSCBZBNH-AWEZNQCLSA-N 1 0 385.693 2.718 20 0 GFADRO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)Nc1ccc(Br)cc1C(F)(F)F ZINC000572602240 564601634 /nfs/dbraw/zinc/60/16/34/564601634.db2.gz LQKLGXDEHJJXDX-YUMQZZPRSA-N 1 0 396.207 2.648 20 0 GFADRO C[C@@H]1C[N@H+](C)CCN1c1ccc(Br)cc1NC(=O)[C@@H]1CCCO1 ZINC000456369435 564603139 /nfs/dbraw/zinc/60/31/39/564603139.db2.gz MDYGVLJZOIYTEJ-WBMJQRKESA-N 1 0 382.302 2.707 20 0 GFADRO COCCCC(=O)Nc1cc(Br)ccc1N1CC[N@H+](C)C[C@@H]1C ZINC000456367897 564603396 /nfs/dbraw/zinc/60/33/96/564603396.db2.gz KHCHNHVZOKUFEP-ZDUSSCGKSA-N 1 0 384.318 2.955 20 0 GFADRO O[C@@H](C[NH2+]C1(c2cc(C(F)(F)F)ccc2Cl)CC1)CN1CCOCC1 ZINC000484988875 564604067 /nfs/dbraw/zinc/60/40/67/564604067.db2.gz RLCXGUUOQZPELR-ZDUSSCGKSA-N 1 0 378.822 2.631 20 0 GFADRO CC(C)[C@@H]([NH2+][C@@H]1CCc2cccc(Br)c2C1)C(=O)N1CCOCC1 ZINC000549778826 564604814 /nfs/dbraw/zinc/60/48/14/564604814.db2.gz JCKABTOMUAQLFZ-CRAIPNDOSA-N 1 0 395.341 2.779 20 0 GFADRO C[NH+](C)CCOc1ccc(CCNC(=O)c2cncc(Br)c2)cc1 ZINC000520543470 564607544 /nfs/dbraw/zinc/60/75/44/564607544.db2.gz FXKVLCIHHNMAFS-UHFFFAOYSA-N 1 0 392.297 2.757 20 0 GFADRO CNS(=O)(=O)C1CC[NH+](CC/C=C\c2ccc(Br)cc2)CC1 ZINC000549867994 564607969 /nfs/dbraw/zinc/60/79/69/564607969.db2.gz LWQOWYCBRDRUQT-RQOWECAXSA-N 1 0 387.343 2.866 20 0 GFADRO CC[NH+](CC)CCNC(=O)C(=O)N[C@H](C)c1cc(F)c(Cl)cc1Cl ZINC000549928004 564610128 /nfs/dbraw/zinc/61/01/28/564610128.db2.gz ZRMLZHPEZXIOFQ-SNVBAGLBSA-N 1 0 378.275 2.768 20 0 GFADRO CCC[C@@H](C(=O)NC[C@H](CO)Cc1ccc(C)c(Br)c1)[NH+](C)C ZINC000456486014 564611401 /nfs/dbraw/zinc/61/14/01/564611401.db2.gz IEUSQNHVXKJBHG-WBVHZDCISA-N 1 0 385.346 2.755 20 0 GFADRO C[NH+](C)C1(CNC(=O)c2ccc(Br)c(O)c2)Cc2ccccc2C1 ZINC000485281165 564611524 /nfs/dbraw/zinc/61/15/24/564611524.db2.gz HKHUKZCMGFNXAJ-UHFFFAOYSA-N 1 0 389.293 2.984 20 0 GFADRO O=C(CNC(=O)c1ccc(Cl)cc1Cl)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000520790904 564613128 /nfs/dbraw/zinc/61/31/28/564613128.db2.gz KPBUMBMPNGYNDU-AWEZNQCLSA-N 1 0 384.307 2.810 20 0 GFADRO CCCC(=O)N1CSC[C@@H]1C(=O)N1CC[NH2+]C[C@H]1c1cccc(Cl)c1 ZINC000572869630 564613660 /nfs/dbraw/zinc/61/36/60/564613660.db2.gz GGKOEZXGGOAEFJ-JKSUJKDBSA-N 1 0 381.929 2.515 20 0 GFADRO CN(C)S(=O)(=O)CC[NH+]1CCC(c2ccc(OC(F)(F)F)cc2)CC1 ZINC000550091523 564614438 /nfs/dbraw/zinc/61/44/38/564614438.db2.gz TUKKSWPRFAPJPH-UHFFFAOYSA-N 1 0 380.432 2.656 20 0 GFADRO COc1nc(C)c(Br)cc1C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000485452351 564615298 /nfs/dbraw/zinc/61/52/98/564615298.db2.gz CQUILLBHEYKHRC-ZDUSSCGKSA-N 1 0 382.302 2.862 20 0 GFADRO COC1(C(=O)N2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)CC[NH2+]CC1 ZINC000572962020 564617045 /nfs/dbraw/zinc/61/70/45/564617045.db2.gz FJAZITJCBKLDHG-LLVKDONJSA-N 1 0 377.432 2.637 20 0 GFADRO Ic1cnc(NC[C@H](c2ccco2)[NH+]2CCCC2)nc1 ZINC000521060616 564617897 /nfs/dbraw/zinc/61/78/97/564617897.db2.gz CXUXADPYGWJVCP-GFCCVEGCSA-N 1 0 384.221 2.923 20 0 GFADRO CCN(CC)S(=O)(=O)c1cc(NC(=O)[C@H]2C[N@H+](C)C[C@H]2C)ccc1Cl ZINC000485547151 564619482 /nfs/dbraw/zinc/61/94/82/564619482.db2.gz NVBMLHVXNKNACS-OCCSQVGLSA-N 1 0 387.933 2.507 20 0 GFADRO CCC[NH+]1CCC(NC(=O)C(=O)N[C@H](C)c2ccc(Br)cc2)CC1 ZINC000550364602 564621634 /nfs/dbraw/zinc/62/16/34/564621634.db2.gz HXPGOPGYRGOFMM-CYBMUJFWSA-N 1 0 396.329 2.617 20 0 GFADRO Cc1c(CNC(=O)C(=O)N2CCC[C@H](C[NH3+])C2)sc2ccc(Cl)cc12 ZINC000573099116 564622587 /nfs/dbraw/zinc/62/25/87/564622587.db2.gz GATSJLGDJVUKNU-GFCCVEGCSA-N 1 0 379.913 2.677 20 0 GFADRO [NH3+]CC[C@@H]1CCCCN1S(=O)(=O)c1cc(Br)ccc1Cl ZINC000573089318 564622649 /nfs/dbraw/zinc/62/26/49/564622649.db2.gz BZLUAARWJVJRGO-NSHDSACASA-N 1 0 381.723 2.995 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)S(=O)(=O)Cc1cccc(Cl)c1 ZINC000550434176 564624319 /nfs/dbraw/zinc/62/43/19/564624319.db2.gz PCABNJTZVXHBKA-SFHVURJKSA-N 1 0 387.977 2.518 20 0 GFADRO COCCO[C@@H]1COCC[C@H]1[NH2+][C@@H]1CCc2cc(Br)ccc2C1 ZINC000485719614 564624470 /nfs/dbraw/zinc/62/44/70/564624470.db2.gz OLQRWTLHKXWNGU-KZNAEPCWSA-N 1 0 384.314 2.717 20 0 GFADRO C[C@H](NC(=O)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1)c1ncc(Br)cn1 ZINC000521362536 564625828 /nfs/dbraw/zinc/62/58/28/564625828.db2.gz HNTZOADRZPPKEY-KCQAQPDRSA-N 1 0 396.333 2.864 20 0 GFADRO CCC[C@@H](C(=O)NC[C@H](CO)Cc1cccc(Br)c1C)[NH+](C)C ZINC000456709905 564626337 /nfs/dbraw/zinc/62/63/37/564626337.db2.gz FVNZFKSMECTTEB-PBHICJAKSA-N 1 0 385.346 2.755 20 0 GFADRO O=C(NC[C@H]1C[NH2+]CCCO1)N[C@@H](c1ccc(F)c(Cl)c1)C(F)(F)F ZINC000521407616 564626507 /nfs/dbraw/zinc/62/65/07/564626507.db2.gz ZMEGDBSAPPPAFY-MFKMUULPSA-N 1 0 383.773 2.760 20 0 GFADRO CS[C@H]1CN(Cc2nc3ccc(Br)cc3n2C)C[C@@H]1[NH+](C)C ZINC000485835813 564627241 /nfs/dbraw/zinc/62/72/41/564627241.db2.gz ZVWWQPAIKDWEGI-GJZGRUSLSA-N 1 0 383.359 2.813 20 0 GFADRO CN1CC[NH+](CCCCNC(=O)Nc2ccc(F)cc2Br)CC1 ZINC000521532014 564629188 /nfs/dbraw/zinc/62/91/88/564629188.db2.gz FLWGMCWYKIGOSK-UHFFFAOYSA-N 1 0 387.297 2.737 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)c2nn(C)cc2Br)C1 ZINC000550766968 564630642 /nfs/dbraw/zinc/63/06/42/564630642.db2.gz IKOQGNQDJNXJLY-KGLIPLIRSA-N 1 0 383.334 2.909 20 0 GFADRO OC[C@H]1CCC[N@@H+]1Cc1ccccc1CNc1ccncc1Br ZINC000550787636 564630713 /nfs/dbraw/zinc/63/07/13/564630713.db2.gz LAMRCAUJWXIVPY-MRXNPFEDSA-N 1 0 376.298 2.835 20 0 GFADRO CS(=O)(=O)[C@@H]1CCC[C@@H]([NH2+][C@H]2CC(=O)N(c3ccc(Cl)c(F)c3)C2)C1 ZINC000550938419 564634090 /nfs/dbraw/zinc/63/40/90/564634090.db2.gz VUAUWSJOTYPBDO-MBNYWOFBSA-N 1 0 388.892 2.530 20 0 GFADRO C[NH+](C)CCn1cc(NC(=O)Nc2cccc(Br)c2)ccc1=O ZINC000485998039 564634374 /nfs/dbraw/zinc/63/43/74/564634374.db2.gz XDKINKGUWZRZFA-UHFFFAOYSA-N 1 0 379.258 2.816 20 0 GFADRO O[C@H](C[NH2+]CCn1cc(Br)cn1)CO[C@H]1CCCc2ccccc21 ZINC000573359792 564635022 /nfs/dbraw/zinc/63/50/22/564635022.db2.gz JBMYBSIWMVYZKD-AEFFLSMTSA-N 1 0 394.313 2.690 20 0 GFADRO CC(C)C[C@@H]([NH2+]C1CCC(CS(C)(=O)=O)CC1)C(=O)Nc1nccs1 ZINC000551083890 564637237 /nfs/dbraw/zinc/63/72/37/564637237.db2.gz PDRUWYXOHWDJGK-YMAMQOFZSA-N 1 0 387.571 2.689 20 0 GFADRO CCC[N@@H+]1CC[C@@H](CNC(=O)N(CCO)Cc2cccc(Br)c2)C1 ZINC000486114095 564639609 /nfs/dbraw/zinc/63/96/09/564639609.db2.gz FKLCPGKZJBPMNG-INIZCTEOSA-N 1 0 398.345 2.685 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)c(NC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)c1C ZINC000521983249 564640193 /nfs/dbraw/zinc/64/01/93/564640193.db2.gz KDXLQTNUEPFHJV-FICVDOATSA-N 1 0 390.285 2.591 20 0 GFADRO CC[C@H](NC(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1)c1ccc(Cl)s1 ZINC000551219300 564643064 /nfs/dbraw/zinc/64/30/64/564643064.db2.gz UPJCDFLMSAZSLE-MEDUHNTESA-N 1 0 389.974 2.522 20 0 GFADRO Cn1c(SCC(=O)NC(C)(C)C[NH+]2CCCC2)nnc1-c1cccs1 ZINC000457059936 564645392 /nfs/dbraw/zinc/64/53/92/564645392.db2.gz XOCJGXRHXPKQCM-UHFFFAOYSA-N 1 0 379.555 2.626 20 0 GFADRO COCCN(CC[NH+](C)C)C(=O)C1(c2cc(F)cc(Br)c2)CC1 ZINC000573592864 564645298 /nfs/dbraw/zinc/64/52/98/564645298.db2.gz SCKJQVKPLZRCNY-UHFFFAOYSA-N 1 0 387.293 2.656 20 0 GFADRO O=C(NCCOc1cccc(Br)c1)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000573621329 564647098 /nfs/dbraw/zinc/64/70/98/564647098.db2.gz OUHDJOLDLRHIGS-UMVBOHGHSA-N 1 0 382.302 2.515 20 0 GFADRO CN(C(=O)c1c(O)cnc2c(Br)cccc21)[C@@H]1C[NH+]2CCC1CC2 ZINC000486303136 564647801 /nfs/dbraw/zinc/64/78/01/564647801.db2.gz DIIXYQKEGIQGNM-CQSZACIVSA-N 1 0 390.281 2.869 20 0 GFADRO Cn1ccnc1Sc1ncc(C(=O)NCC[NH+]2CCCCC2)cc1Cl ZINC000522252414 564648212 /nfs/dbraw/zinc/64/82/12/564648212.db2.gz ACKBZURHGXWSHQ-UHFFFAOYSA-N 1 0 379.917 2.835 20 0 GFADRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(I)c(F)c2)C1 ZINC000457132231 564649460 /nfs/dbraw/zinc/64/94/60/564649460.db2.gz UNOAICVYUMIQLM-GFCCVEGCSA-N 1 0 390.240 2.985 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)NCC[N@H+]2CCCC[C@@H]2C)cc1Br ZINC000486369739 564649587 /nfs/dbraw/zinc/64/95/87/564649587.db2.gz KAISOPUUBGQOEQ-AWEZNQCLSA-N 1 0 396.329 2.995 20 0 GFADRO O[C@@H](C[NH2+]C[C@H](O)COc1cccc(Br)c1)Cc1cccc(F)c1 ZINC000573683734 564650065 /nfs/dbraw/zinc/65/00/65/564650065.db2.gz FUPXUGGWKSKFLU-SJORKVTESA-N 1 0 398.272 2.521 20 0 GFADRO C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000486409668 564651594 /nfs/dbraw/zinc/65/15/94/564651594.db2.gz SJBOPGJFRCLQLK-VKJFTORMSA-N 1 0 394.357 2.852 20 0 GFADRO O=C(C[NH2+]C[C@@H]1CCSC1)Nc1ccc(I)cc1 ZINC000551581441 564656334 /nfs/dbraw/zinc/65/63/34/564656334.db2.gz DGFQRNFKQZFHIM-JTQLQIEISA-N 1 0 376.263 2.572 20 0 GFADRO C[C@H](CNC(=O)N1CC[NH+]2CCC1CC2)Oc1ccc(Br)cc1 ZINC000551648218 564658685 /nfs/dbraw/zinc/65/86/85/564658685.db2.gz FYGXJNWAPMJACI-CYBMUJFWSA-N 1 0 382.302 2.706 20 0 GFADRO CCNC(=O)C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(Br)cc1 ZINC000551721498 564661595 /nfs/dbraw/zinc/66/15/95/564661595.db2.gz WXQONRRTKBCRDC-HNNXBMFYSA-N 1 0 382.302 2.768 20 0 GFADRO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NC1CCN(Cc2ccc(Br)cc2)CC1 ZINC000486677169 564662352 /nfs/dbraw/zinc/66/23/52/564662352.db2.gz OLDINTKANLWNFN-KSSFIOAISA-N 1 0 394.357 2.727 20 0 GFADRO COCC[NH2+]C1CCN(C(=O)c2ccc(Br)cc2Cl)CC1 ZINC000573976069 564662644 /nfs/dbraw/zinc/66/26/44/564662644.db2.gz SELABGXPYBGOGZ-UHFFFAOYSA-N 1 0 375.694 2.943 20 0 GFADRO CC[N@@H+]1CC[C@@H](CNC(=O)c2cn(Cc3ccc(Cl)cc3Cl)nn2)C1 ZINC000457461957 564662721 /nfs/dbraw/zinc/66/27/21/564662721.db2.gz SNYLMEHHPSNWFQ-LBPRGKRZSA-N 1 0 382.295 2.705 20 0 GFADRO COCC[NH+]1CCC(NC(=O)NCc2c(C)cc(Br)cc2C)CC1 ZINC000523190384 564663011 /nfs/dbraw/zinc/66/30/11/564663011.db2.gz OGKVDCXQONAVHF-UHFFFAOYSA-N 1 0 398.345 2.976 20 0 GFADRO CCN1CC[C@@H]([NH2+]Cc2cc(C(F)(F)F)cc(S(C)(=O)=O)c2)[C@@H](C)C1 ZINC000551781202 564663669 /nfs/dbraw/zinc/66/36/69/564663669.db2.gz QMLZOFVHQCYSMX-BLLLJJGKSA-N 1 0 378.460 2.929 20 0 GFADRO O=S1(=O)CCC(O)(C[NH2+]CCCCc2ccc(Cl)c(Cl)c2)CC1 ZINC000551814978 564664163 /nfs/dbraw/zinc/66/41/63/564664163.db2.gz YJRCPMKWPUCUKA-UHFFFAOYSA-N 1 0 380.337 2.845 20 0 GFADRO C[C@H]([NH2+]CC1(O)CCS(=O)(=O)CC1)c1cc(Cl)ccc1OC(F)F ZINC000551813645 564664478 /nfs/dbraw/zinc/66/44/78/564664478.db2.gz OFIFBTHMFVFMLT-JTQLQIEISA-N 1 0 383.844 2.532 20 0 GFADRO C[C@@H]([NH2+]CC1(O)CCS(=O)(=O)CC1)[C@@H](C)Oc1ccc(Cl)cc1Cl ZINC000551813560 564664524 /nfs/dbraw/zinc/66/45/24/564664524.db2.gz WFBYIBNGXHGFLY-VXGBXAGGSA-N 1 0 396.336 2.679 20 0 GFADRO Cc1cc(C[NH2+][C@@H]2CCC(=O)N[C@H]2c2cncn2C)sc1Br ZINC000486781193 564666163 /nfs/dbraw/zinc/66/61/63/564666163.db2.gz SOXNFDZXQZSXDY-BXUZGUMPSA-N 1 0 383.315 2.662 20 0 GFADRO Cc1onc(-c2ccc(Cl)cc2Cl)c1C(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000574116128 564669190 /nfs/dbraw/zinc/66/91/90/564669190.db2.gz BWUYBJFEZNLOEA-KRWDZBQOSA-N 1 0 384.263 2.753 20 0 GFADRO CC(C)Cn1cc(CNc2cc(N3CCOCC3)c(Br)c[nH+]2)cn1 ZINC000574126585 564670184 /nfs/dbraw/zinc/67/01/84/564670184.db2.gz NSYLEMGJBIIEAV-UHFFFAOYSA-N 1 0 394.317 3.145 20 0 GFADRO COc1ccc(CNC(=O)NC[C@@H]2CC[N@@H+](C(C)C)C2)cc1Br ZINC000523632141 564670208 /nfs/dbraw/zinc/67/02/08/564670208.db2.gz ACCLVCNRXJJWIY-AWEZNQCLSA-N 1 0 384.318 2.987 20 0 GFADRO CCc1ccc(-c2csc(NC(=O)C(=O)NCC[N@H+](C)C(C)C)n2)s1 ZINC000574457591 564674396 /nfs/dbraw/zinc/67/43/96/564674396.db2.gz YVJRMJWXDOULIJ-UHFFFAOYSA-N 1 0 380.539 2.829 20 0 GFADRO Cc1ccc(Br)c(S(=O)(=O)NCC[NH2+][C@H](C)c2ccccn2)c1 ZINC000552073650 564675584 /nfs/dbraw/zinc/67/55/84/564675584.db2.gz MTWLVGBJKWFUBG-CYBMUJFWSA-N 1 0 398.326 2.782 20 0 GFADRO C[C@H]([NH2+]CCNS(=O)(=O)c1cccc(Cl)c1Cl)C1CCOCC1 ZINC000552088878 564676064 /nfs/dbraw/zinc/67/60/64/564676064.db2.gz VCDRYRSWJGKEOE-NSHDSACASA-N 1 0 381.325 2.676 20 0 GFADRO C[C@@H]1CN(Cc2ccc(Br)cc2N2CCOCC2)C[C@H](C)[N@H+]1C ZINC000552124766 564678303 /nfs/dbraw/zinc/67/83/03/564678303.db2.gz MNDFSYJYYABRQM-GASCZTMLSA-N 1 0 382.346 2.810 20 0 GFADRO C[N@@H+]1CCC[C@@H](CCNC(=O)NCc2cn3cc(Br)ccc3n2)C1 ZINC000457943590 564680454 /nfs/dbraw/zinc/68/04/54/564680454.db2.gz KGPIVIDKJVRTRI-ZDUSSCGKSA-N 1 0 394.317 2.628 20 0 GFADRO CC(C)N(Cc1cccc(Br)c1)C(=O)C(=O)N[C@H](C)CC[NH+](C)C ZINC000552191036 564681217 /nfs/dbraw/zinc/68/12/17/564681217.db2.gz PRVIKOZXXRQHFN-CQSZACIVSA-N 1 0 398.345 2.643 20 0 GFADRO C[N@@H+]1CCC[C@]2(CCN(C(=O)NCCOc3cccc(Br)c3)C2)C1 ZINC000457959644 564681425 /nfs/dbraw/zinc/68/14/25/564681425.db2.gz XDMDDWQKIJYGJP-SFHVURJKSA-N 1 0 396.329 2.955 20 0 GFADRO COC1CC[NH+](C(C)(C)CNC(=O)COc2ccc(Br)cc2)CC1 ZINC000524611317 564683824 /nfs/dbraw/zinc/68/38/24/564683824.db2.gz LUXMNUKOQCRCIR-UHFFFAOYSA-N 1 0 399.329 2.834 20 0 GFADRO CCn1c(COc2ccc(Cl)cc2)nnc1SC[C@@H](O)C[N@H+](C)CC ZINC000574703707 564685676 /nfs/dbraw/zinc/68/56/76/564685676.db2.gz LYMARHRKFRVYRI-AWEZNQCLSA-N 1 0 384.933 2.935 20 0 GFADRO CC[NH+]1CCN(CC(C)(C)NC(=O)NCc2ccccc2Br)CC1 ZINC000458055254 564686020 /nfs/dbraw/zinc/68/60/20/564686020.db2.gz DBXRFUGSAZNVST-UHFFFAOYSA-N 1 0 397.361 2.664 20 0 GFADRO Cc1cc(Cl)ccc1S(=O)(=O)NCC[NH2+][C@@H]1[C@@H]2CCCO[C@H]2C1(C)C ZINC000552335678 564687417 /nfs/dbraw/zinc/68/74/17/564687417.db2.gz ZTIYIYWXEYKSQB-USXIJHARSA-N 1 0 386.945 2.720 20 0 GFADRO CS(=O)(=O)N1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2c2cccc(C(F)(F)F)c2)C1 ZINC000574761539 564687802 /nfs/dbraw/zinc/68/78/02/564687802.db2.gz JPJSZVRLUNQTAJ-ARFHVFGLSA-N 1 0 376.444 2.965 20 0 GFADRO Cc1[nH]c(=O)c(Br)cc1C(=O)NC[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000552363549 564687829 /nfs/dbraw/zinc/68/78/29/564687829.db2.gz WVWOHAXMTOBBRL-ZDUSSCGKSA-N 1 0 384.318 2.956 20 0 GFADRO O=S1(=O)CCC[C@H](C[NH2+]Cc2cnn(-c3ccc(Br)cc3)c2)C1 ZINC000574939954 564688606 /nfs/dbraw/zinc/68/86/06/564688606.db2.gz NAHJVMROYLQJJT-CYBMUJFWSA-N 1 0 398.326 2.549 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2ccc(Br)cc2)C[C@H]1C ZINC000524869979 564688626 /nfs/dbraw/zinc/68/86/26/564688626.db2.gz HRSLPGJUJSPFPZ-TZMCWYRMSA-N 1 0 375.332 2.942 20 0 GFADRO O=S1(=O)CCC[C@@H](C[NH2+]Cc2cnn(-c3ccc(Br)cc3)c2)C1 ZINC000574939955 564689317 /nfs/dbraw/zinc/68/93/17/564689317.db2.gz NAHJVMROYLQJJT-ZDUSSCGKSA-N 1 0 398.326 2.549 20 0 GFADRO CC1(C)[C@H]([NH2+]Cc2cc(=O)n3cc(Br)ccc3n2)[C@@H]2CCCO[C@@H]21 ZINC000575001523 564690978 /nfs/dbraw/zinc/69/09/78/564690978.db2.gz XITFZAKMOPOJAI-XKQJLSEDSA-N 1 0 392.297 2.750 20 0 GFADRO CC[NH+]1CCN(CC(=O)NCc2cnc(-c3ccc(Cl)cc3)s2)CC1 ZINC000552438700 564691356 /nfs/dbraw/zinc/69/13/56/564691356.db2.gz HXBJTNQYHAXZSC-UHFFFAOYSA-N 1 0 378.929 2.717 20 0 GFADRO Cc1ccc(C[C@@H](CO)[NH2+]C[C@@H](O)COc2ccc(Br)cc2)cc1 ZINC000575046276 564691538 /nfs/dbraw/zinc/69/15/38/564691538.db2.gz JFMWGGQUICPRFQ-ZWKOTPCHSA-N 1 0 394.309 2.690 20 0 GFADRO CN(CC[NH+]1CCCC1)C(=O)[C@@]12CCC(=O)N1c1cc(Cl)ccc1S2 ZINC000487592441 564692075 /nfs/dbraw/zinc/69/20/75/564692075.db2.gz NWMAYDSUKZQWBX-SFHVURJKSA-N 1 0 379.913 2.823 20 0 GFADRO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCc1ccc(I)cc1Cl ZINC000487588162 564692263 /nfs/dbraw/zinc/69/22/63/564692263.db2.gz HNEHRKHPRWIPNA-SKDRFNHKSA-N 1 0 392.668 2.759 20 0 GFADRO C[NH+]1CCC(C(=O)NC2(c3cccc(Br)c3)CCOCC2)CC1 ZINC000525178401 564694056 /nfs/dbraw/zinc/69/40/56/564694056.db2.gz OWRBFGLQRDMJGF-UHFFFAOYSA-N 1 0 381.314 2.913 20 0 GFADRO Cc1cc(NC(=O)c2sccc2S(=O)(=O)N(C)C)ccc1C[NH+](C)C ZINC000458288108 564697192 /nfs/dbraw/zinc/69/71/92/564697192.db2.gz QDGQWEVAZGOIQJ-UHFFFAOYSA-N 1 0 381.523 2.621 20 0 GFADRO C[NH+](C)CCn1nccc1NC(=O)[C@H]1CCc2cc(Br)ccc21 ZINC000575407338 564698697 /nfs/dbraw/zinc/69/86/97/564698697.db2.gz MCRAIVCHUPWHGN-HNNXBMFYSA-N 1 0 377.286 2.876 20 0 GFADRO CC[NH+](CC)C[C@H](C)NC(=O)Nc1ccc(NS(C)(=O)=O)c(Cl)c1 ZINC000525421425 564700978 /nfs/dbraw/zinc/70/09/78/564700978.db2.gz OTWOIBLBCMIVPQ-NSHDSACASA-N 1 0 376.910 2.563 20 0 GFADRO CC(C)[C@@H]1CN(CC(=O)N(C)Cc2cc(Br)cs2)CC[N@@H+]1C ZINC000487973640 564700975 /nfs/dbraw/zinc/70/09/75/564700975.db2.gz SXPHWVFKGZIMOM-HNNXBMFYSA-N 1 0 388.375 2.741 20 0 GFADRO COCC[C@@H](Cc1cccc(Br)c1)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000525477065 564701655 /nfs/dbraw/zinc/70/16/55/564701655.db2.gz SYVDXMUVKYISQJ-DOTOQJQBSA-N 1 0 395.341 2.997 20 0 GFADRO CC(C)[C@@H]1CN(CC(=O)N[C@@H](C)c2ccc(Br)cc2)CC[N@@H+]1C ZINC000488018092 564703087 /nfs/dbraw/zinc/70/30/87/564703087.db2.gz PWZRYSZZPIHGLX-YOEHRIQHSA-N 1 0 382.346 2.898 20 0 GFADRO COC[C@H](C)OC[C@@H](O)C[NH2+][C@H]1C[C@H](c2ccc(F)c(Br)c2)C1 ZINC000575743726 564703109 /nfs/dbraw/zinc/70/31/09/564703109.db2.gz ZEIWLWLJWDLHAF-MXAVVETBSA-N 1 0 390.293 2.836 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)NCc2nc3c(cccc3Br)[nH]2)C1 ZINC000458509411 564704528 /nfs/dbraw/zinc/70/45/28/564704528.db2.gz PFYVXISWJAYISM-VXGBXAGGSA-N 1 0 394.317 2.997 20 0 GFADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)NCc3cccc(Cl)c3Cl)C2)CC1 ZINC000553002149 564705885 /nfs/dbraw/zinc/70/58/85/564705885.db2.gz HRAQGHRBCVRTAT-OAHLLOKOSA-N 1 0 385.339 2.915 20 0 GFADRO CS(=O)(=O)c1ccc(Nc2ccc(CC[NH+]3CCSCC3)cc2)nc1 ZINC000552998145 564706254 /nfs/dbraw/zinc/70/62/54/564706254.db2.gz UHQFWHMBMTZOKR-UHFFFAOYSA-N 1 0 377.535 2.820 20 0 GFADRO C[C@H](O)C[C@H]1CCCC[N@@H+]1C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000576189278 564706791 /nfs/dbraw/zinc/70/67/91/564706791.db2.gz WYSMRERVOIXJGY-MAZHCROVSA-N 1 0 390.293 2.953 20 0 GFADRO C[C@@H]1C[C@@H]1C[N@@H+]1CCCN(S(=O)(=O)c2ccc(Br)s2)CC1 ZINC000488315887 564709628 /nfs/dbraw/zinc/70/96/28/564709628.db2.gz FKTUXYJWCMHDGM-VXGBXAGGSA-N 1 0 393.372 2.863 20 0 GFADRO C[C@H]1CC[N@H+](CCNC(=O)[C@]23CCC(=O)N2c2cc(Cl)ccc2S3)C1 ZINC000525805105 564709599 /nfs/dbraw/zinc/70/95/99/564709599.db2.gz PHPLKTJQPNAPFO-KPZWWZAWSA-N 1 0 379.913 2.727 20 0 GFADRO Cc1cc(Br)cn2cc(CCNC(=O)N3C[C@@H]4C[C@H]3CS4)nc12 ZINC000458646278 564709705 /nfs/dbraw/zinc/70/97/05/564709705.db2.gz DVXJUFGMOBFMGB-KBPBESRZSA-N 1 0 395.326 2.847 20 0 GFADRO C[C@@H]1CCNC(=O)[C@@H]1[NH2+]CC(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000576302644 564712152 /nfs/dbraw/zinc/71/21/52/564712152.db2.gz SWCFFPIIOAIGQI-RGYTYGDFSA-N 1 0 384.307 2.771 20 0 GFADRO COc1cc(Br)ccc1CNC(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000488501933 564713109 /nfs/dbraw/zinc/71/31/09/564713109.db2.gz HHUWFSGFBRIWLC-XHDPSFHLSA-N 1 0 382.302 2.740 20 0 GFADRO COc1ccc([C@@H](CNc2ccncc2Br)[NH+](C)C)cc1OC ZINC000553249699 564713735 /nfs/dbraw/zinc/71/37/35/564713735.db2.gz UWIDFVXCUFLNOD-OAHLLOKOSA-N 1 0 380.286 2.998 20 0 GFADRO C[C@@H]1C[C@H]1C[NH2+][C@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 ZINC000488533241 564713751 /nfs/dbraw/zinc/71/37/51/564713751.db2.gz PBENUVQGPOHAFN-IPYPFGDCSA-N 1 0 387.343 2.848 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(C(=O)N[C@H](c3cncc(Br)c3)C3CC3)C[C@@H]21 ZINC000458763595 564717193 /nfs/dbraw/zinc/71/71/93/564717193.db2.gz NSXUGYWHACGHMW-KCXAZCMYSA-N 1 0 379.302 2.641 20 0 GFADRO Cc1nccc(NC(=O)NC2CC[NH+](CCOC(C)C)CC2)c1Br ZINC000526097098 564719594 /nfs/dbraw/zinc/71/95/94/564719594.db2.gz HAWBIPZIRGAWDA-UHFFFAOYSA-N 1 0 399.333 2.585 20 0 GFADRO CC1(C)[C@H]([NH2+]Cc2cn(-c3ccccc3Br)nn2)[C@@H]2CCO[C@@H]21 ZINC000553439140 564720349 /nfs/dbraw/zinc/72/03/49/564720349.db2.gz OWCQZJMCUASYOY-MAZHCROVSA-N 1 0 377.286 2.933 20 0 GFADRO C[NH+](C)[C@H]1CCC[C@@H](NS(=O)(=O)Cc2cccc(Br)c2)C1 ZINC000553430775 564720909 /nfs/dbraw/zinc/72/09/09/564720909.db2.gz LNOZZQMWRDNQFX-CABCVRRESA-N 1 0 375.332 2.741 20 0 GFADRO CS(=O)(=O)N1CC[C@@H]([NH2+][C@H](c2ccc(Br)s2)C2CC2)C1 ZINC000576998667 564722646 /nfs/dbraw/zinc/72/26/46/564722646.db2.gz OQCQACBYGWQORX-MFKMUULPSA-N 1 0 379.345 2.585 20 0 GFADRO O=C(Cc1ccc(I)cc1)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000488860584 564722783 /nfs/dbraw/zinc/72/27/83/564722783.db2.gz GCAPPCOTNONWDX-HNNXBMFYSA-N 1 0 398.288 2.967 20 0 GFADRO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCc1nc(C)c(Br)s1 ZINC000458922640 564723957 /nfs/dbraw/zinc/72/39/57/564723957.db2.gz IJINRDVPKUFVEV-RYUDHWBXSA-N 1 0 387.347 2.982 20 0 GFADRO C[C@@H]1[C@H](C)[S@@](=O)CCN1C(=O)N[C@@H]1CCN(C)[C@H]1c1ccc(Cl)cc1 ZINC000526976072 564724762 /nfs/dbraw/zinc/72/47/62/564724762.db2.gz HTYKLQIMBRGMGT-JATCMODESA-N 1 0 383.945 2.636 20 0 GFADRO O=C(NC/C=C\c1ccc(Br)cc1)NC[C@H]1CCCC[N@H+]1CCO ZINC000458962848 564726697 /nfs/dbraw/zinc/72/66/97/564726697.db2.gz DRBOLUMLAWIUBJ-CWIOURORSA-N 1 0 396.329 2.608 20 0 GFADRO C[NH+](C)C1(CNS(=O)(=O)c2cccc(OC(F)(F)F)c2F)CCCC1 ZINC000489105056 564729800 /nfs/dbraw/zinc/72/98/00/564729800.db2.gz RELPTMMGYLUSBY-UHFFFAOYSA-N 1 0 384.395 2.877 20 0 GFADRO CCS(=O)(=O)N1CC(C[NH2+]Cc2csc(-c3ccc(Cl)cc3)n2)C1 ZINC000527119907 564730873 /nfs/dbraw/zinc/73/08/73/564730873.db2.gz ZKGXHMIDEACFRK-UHFFFAOYSA-N 1 0 385.942 2.835 20 0 GFADRO CC(C)C[C@H](C[NH3+])NS(=O)(=O)Cc1cc(Cl)ccc1Br ZINC000577279702 564732603 /nfs/dbraw/zinc/73/26/03/564732603.db2.gz GEOVWXQVVKRKFF-GFCCVEGCSA-N 1 0 383.739 2.895 20 0 GFADRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)NCc2nc3c(cccc3Br)[nH]2)C1 ZINC000459134802 564732920 /nfs/dbraw/zinc/73/29/20/564732920.db2.gz JQDSRCVDQVZCJN-LBPRGKRZSA-N 1 0 394.317 2.950 20 0 GFADRO C[NH+]1CCC(CCNS(=O)(=O)c2cccc(OC(F)(F)F)c2F)CC1 ZINC000489248794 564733564 /nfs/dbraw/zinc/73/35/64/564733564.db2.gz HCKQCDVXWSONHY-UHFFFAOYSA-N 1 0 384.395 2.735 20 0 GFADRO C[C@H]1[C@@H](NC(=O)NCc2n[nH]cc2Br)CC[N@@H+]1Cc1ccccc1 ZINC000577312246 564733923 /nfs/dbraw/zinc/73/39/23/564733923.db2.gz OLCIZCMHSCOFLZ-WFASDCNBSA-N 1 0 392.301 2.634 20 0 GFADRO O=C(NCC[C@H]1CC[NH2+]C1)NC[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000577354676 564735196 /nfs/dbraw/zinc/73/51/96/564735196.db2.gz FXKLQGCDXNYEFV-HUUCEWRRSA-N 1 0 395.345 2.574 20 0 GFADRO COC[C@@]1(CNC(=O)NC2(c3cccc(Br)c3)CC2)CCC[NH2+]1 ZINC000577355745 564735297 /nfs/dbraw/zinc/73/52/97/564735297.db2.gz SQPGIFMOAVEBJE-INIZCTEOSA-N 1 0 382.302 2.506 20 0 GFADRO C[C@@H]1C[C@@H]1[N@@H+]1CCN(C(=O)c2[nH]nc(C3CC3)c2Br)C[C@@H](C)C1 ZINC000553785062 564735902 /nfs/dbraw/zinc/73/59/02/564735902.db2.gz SYYRPPCBZUJOTP-LOWVWBTDSA-N 1 0 381.318 2.852 20 0 GFADRO C[NH+]1CCC(CCNS(=O)(=O)Cc2ccccc2Br)CC1 ZINC000553818038 564737627 /nfs/dbraw/zinc/73/76/27/564737627.db2.gz WOFJIAYTCRWZPH-UHFFFAOYSA-N 1 0 375.332 2.600 20 0 GFADRO C[C@H]1CN(c2ccc(Cl)c(F)c2)CCN1C(=O)C[N@H+](C)[C@H]1CCSC1 ZINC000553827829 564738767 /nfs/dbraw/zinc/73/87/67/564738767.db2.gz RUVGMWRASCXELV-ZFWWWQNUSA-N 1 0 385.936 2.954 20 0 GFADRO C[NH+]1CCN(c2ccc(NCc3cccc(O)c3Br)cn2)CC1 ZINC000459352344 564741187 /nfs/dbraw/zinc/74/11/87/564741187.db2.gz DWSOOEIPTPVYIO-UHFFFAOYSA-N 1 0 377.286 2.914 20 0 GFADRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(S(=O)(=O)N(CC)CC)cc2)[C@@H]1SC ZINC000459385287 564742502 /nfs/dbraw/zinc/74/25/02/564742502.db2.gz XFPQCTDSGNOXHY-KURKYZTESA-N 1 0 386.583 2.716 20 0 GFADRO [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)N1CCOc2ccc(Br)cc2C1 ZINC000579217103 564745065 /nfs/dbraw/zinc/74/50/65/564745065.db2.gz FHHLIRZVUHHLJD-QFPCPSKISA-N 1 0 394.313 2.869 20 0 GFADRO C[C@@H](C[NH+](C)C)NS(=O)(=O)c1ccc(Br)c(Cl)c1Cl ZINC000553913748 564745231 /nfs/dbraw/zinc/74/52/31/564745231.db2.gz HKZHAPZWNGPFCE-ZETCQYMHSA-N 1 0 390.130 2.984 20 0 GFADRO Clc1cccc(N2CC[NH+](C3CCN(Cc4cnns4)CC3)CC2)c1 ZINC000459504953 564748456 /nfs/dbraw/zinc/74/84/56/564748456.db2.gz JGQSXUXXTSFHEE-UHFFFAOYSA-N 1 0 377.945 2.978 20 0 GFADRO COc1c[nH+]ccc1N1CCN(Cc2cccc(O)c2Br)CC1 ZINC000459521357 564749142 /nfs/dbraw/zinc/74/91/42/564749142.db2.gz HAQKHZRYEHVXCP-UHFFFAOYSA-N 1 0 378.270 2.881 20 0 GFADRO CCOc1cc(CN(CCO)Cc2cnn(CC)c2)cc(Br)c1O ZINC000459534962 564749353 /nfs/dbraw/zinc/74/93/53/564749353.db2.gz VOAQVNUTOKOUMY-UHFFFAOYSA-N 1 0 398.301 2.764 20 0 GFADRO Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+][C@@H]1CCCN(S(=O)(=O)N(C)C)C1 ZINC000554085853 564750483 /nfs/dbraw/zinc/75/04/83/564750483.db2.gz HOVKVLBWRZVMCM-GXTWGEPZSA-N 1 0 388.603 2.670 20 0 GFADRO C[C@@H](CNC(=O)N1CC[C@@]2(CC[NH2+]C2)C1)Oc1cccc(Br)c1 ZINC000579814883 564751916 /nfs/dbraw/zinc/75/19/16/564751916.db2.gz LBNQLRVGWQYRTP-SUMWQHHRSA-N 1 0 382.302 2.611 20 0 GFADRO NC(=O)C[C@H]([NH2+]Cc1ccc(Cl)c(Br)c1)C1CCOCC1 ZINC000554185352 564752844 /nfs/dbraw/zinc/75/28/44/564752844.db2.gz LSCWFUPJJSWZGR-AWEZNQCLSA-N 1 0 375.694 2.863 20 0 GFADRO Brc1cccc(-c2cnc(CN3CCN([C@H]4CC[NH2+]C4)CC3)o2)c1 ZINC000489883580 564756519 /nfs/dbraw/zinc/75/65/19/564756519.db2.gz MHBTVMNJRNQYDU-INIZCTEOSA-N 1 0 391.313 2.584 20 0 GFADRO COc1cc(C[NH2+][C@H]2CCC[C@@H]2CNS(C)(=O)=O)cc(C(F)(F)F)c1 ZINC000527703560 564756678 /nfs/dbraw/zinc/75/66/78/564756678.db2.gz KINKVPASOCHXCN-DOMZBBRYSA-N 1 0 380.432 2.522 20 0 GFADRO Fc1ccc(Br)cc1C[NH2+]CC1(N2CCOCC2)CCOCC1 ZINC000459689295 564756740 /nfs/dbraw/zinc/75/67/40/564756740.db2.gz IGJSLZFDJWLULP-UHFFFAOYSA-N 1 0 387.293 2.559 20 0 GFADRO CS(=O)(=O)N[C@@H]1CCCC[C@@H]1C[NH2+]Cc1ccsc1Br ZINC000527707760 564757296 /nfs/dbraw/zinc/75/72/96/564757296.db2.gz NEICUUMXLCTUTA-ZYHUDNBSSA-N 1 0 381.361 2.708 20 0 GFADRO CS(=O)(=O)NC[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(Br)c(F)c1F ZINC000527705311 564757320 /nfs/dbraw/zinc/75/73/20/564757320.db2.gz UXTGJFGBBTZOMJ-JOYOIKCWSA-N 1 0 397.285 2.535 20 0 GFADRO CN(C)c1ccncc1C[NH2+]C[C@H](CO)Cc1cc(F)cc(Br)c1 ZINC000459693904 564757436 /nfs/dbraw/zinc/75/74/36/564757436.db2.gz IBUWPLUVFHDNPP-CQSZACIVSA-N 1 0 396.304 2.990 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+]C[C@H](O)[C@@H]1CCCO1 ZINC000527757543 564759815 /nfs/dbraw/zinc/75/98/15/564759815.db2.gz KCXUESGDEVOOJV-IRXDYDNUSA-N 1 0 380.286 2.573 20 0 GFADRO O[C@H](COc1cccc(Br)c1)C[N@@H+]1CC2(CCC2)[C@H]2COC[C@@H]21 ZINC000459744966 564759856 /nfs/dbraw/zinc/75/98/56/564759856.db2.gz ZXLWAEMKUPZUNF-XIRDDKMYSA-N 1 0 382.298 2.690 20 0 GFADRO OC[C@]1([NH2+]Cc2cc3c(c(Br)c2)OCO3)COc2ccccc2C1 ZINC000527768574 564760801 /nfs/dbraw/zinc/76/08/01/564760801.db2.gz PVISLGIOPLSDTK-SFHVURJKSA-N 1 0 392.249 2.634 20 0 GFADRO O=C(CN1C[C@@H]2C[C@H]1CS2)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000459793582 564760994 /nfs/dbraw/zinc/76/09/94/564760994.db2.gz LEPDJBUVPMDBIQ-RLFYNMQTSA-N 1 0 379.957 2.783 20 0 GFADRO COc1cc(Br)c(S(=O)(=O)NC[C@H](C)C[NH+](C)C)cc1Cl ZINC000490052296 564761204 /nfs/dbraw/zinc/76/12/04/564761204.db2.gz FURLHRGXBWYYOK-VIFPVBQESA-N 1 0 399.738 2.587 20 0 GFADRO C[C@@H](NCC(=O)NC1CC[NH+](C2CC2)CC1)c1nc(C(F)(F)F)cs1 ZINC000490038547 564761508 /nfs/dbraw/zinc/76/15/08/564761508.db2.gz HZYYXFXFVAZDAW-SNVBAGLBSA-N 1 0 376.448 2.556 20 0 GFADRO O=C(NC[C@H]1CCC[NH2+]1)N1CCC[C@@H](Nc2cccc(Br)c2)C1 ZINC000580533089 564763252 /nfs/dbraw/zinc/76/32/52/564763252.db2.gz BZXQTMDDQZRAJQ-HZPDHXFCSA-N 1 0 381.318 2.787 20 0 GFADRO C[C@H](NC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1)c1cc(F)c(Cl)cc1Cl ZINC000580577072 564765853 /nfs/dbraw/zinc/76/58/53/564765853.db2.gz HFPNZZCLHKRPFE-OUAUKWLOSA-N 1 0 390.286 2.909 20 0 GFADRO C[C@H]1CC[N@H+](CC(=O)N2CCN(C(=O)c3cccc(Cl)c3Cl)CC2)C1 ZINC000554597317 564767654 /nfs/dbraw/zinc/76/76/54/564767654.db2.gz CFDMODOROVRXBW-ZDUSSCGKSA-N 1 0 384.307 2.620 20 0 GFADRO O=S(=O)(N[C@@H]1CC[NH2+]C12CCC2)c1cc(Br)ccc1Cl ZINC000528050065 564768176 /nfs/dbraw/zinc/76/81/76/564768176.db2.gz AKTDKZFFQAQATC-GFCCVEGCSA-N 1 0 379.707 2.665 20 0 GFADRO [NH3+][C@@H]1CCc2ncc(NC(=O)c3n[nH]c(C4CC4)c3Br)cc2C1 ZINC000580715761 564771298 /nfs/dbraw/zinc/77/12/98/564771298.db2.gz UWDGIKFZUOGWND-SNVBAGLBSA-N 1 0 376.258 2.513 20 0 GFADRO C[N@@H+]1CC[C@](O)(CNC(=O)NCC2(c3ccc(Cl)cc3Cl)CCC2)C1 ZINC000460233121 564772218 /nfs/dbraw/zinc/77/22/18/564772218.db2.gz QBENGOPDOHKZHH-SFHVURJKSA-N 1 0 386.323 2.781 20 0 GFADRO CCOC(=O)[C@H](C)[C@@H](C)[NH2+][C@H](C)C(=O)N(C)Cc1ccc(Br)cc1 ZINC000554812125 564774879 /nfs/dbraw/zinc/77/48/79/564774879.db2.gz PVVMDVSAAILOIK-MGPQQGTHSA-N 1 0 399.329 2.973 20 0 GFADRO O=C(NC[C@@H]1C[NH2+]CCCO1)Nc1ccc(C(F)(F)F)cc1Br ZINC000580821718 564775764 /nfs/dbraw/zinc/77/57/64/564775764.db2.gz VZUHLGIQDWINNP-JTQLQIEISA-N 1 0 396.207 2.968 20 0 GFADRO C[C@H]1C[C@H](NC(=O)N2CCOc3ccc(Br)cc3C2)CC[N@@H+]1C ZINC000554901043 564776335 /nfs/dbraw/zinc/77/63/35/564776335.db2.gz JLSVPIXTQULIGZ-SWLSCSKDSA-N 1 0 382.302 2.836 20 0 GFADRO C[C@@]1(C[NH3+])CCN(S(=O)(=O)c2ccc3ccccc3c2Br)C1 ZINC000580834764 564776663 /nfs/dbraw/zinc/77/66/63/564776663.db2.gz ZAEMITVPNCSTBU-INIZCTEOSA-N 1 0 383.311 2.962 20 0 GFADRO C[N@@H+]1CCCN(C(=O)c2ccccc2NC(=O)[C@H]2C[C@@]2(C)Br)CC1 ZINC000528333838 564777830 /nfs/dbraw/zinc/77/78/30/564777830.db2.gz CUJXVIKZUQUBKS-RDTXWAMCSA-N 1 0 394.313 2.576 20 0 GFADRO O=C(NCC[NH2+]Cc1cn2ccc(Br)cc2n1)c1cccs1 ZINC000554969813 564779948 /nfs/dbraw/zinc/77/99/48/564779948.db2.gz XEDNKMXTXPIEDZ-UHFFFAOYSA-N 1 0 379.283 2.678 20 0 GFADRO C[NH+]1CCN(c2ccc(Br)cc2NC(=O)[C@@H]2C[C@]23CCOC3)CC1 ZINC000460752978 564780635 /nfs/dbraw/zinc/78/06/35/564780635.db2.gz BVFGIEKUOKDWNF-KSSFIOAISA-N 1 0 394.313 2.566 20 0 GFADRO O=C(Nc1ccc(OC(F)(F)F)cc1Br)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000580940480 564780721 /nfs/dbraw/zinc/78/07/21/564780721.db2.gz SNMLGIFNDKFOGT-VROVMSAKSA-N 1 0 380.164 2.687 20 0 GFADRO C[C@H]1CCc2ccc(Br)cc2[C@@H]([NH2+]CCS(=O)(=O)N(C)C)C1 ZINC000555005348 564781187 /nfs/dbraw/zinc/78/11/87/564781187.db2.gz MEJVERLQJPOMID-LRDDRELGSA-N 1 0 389.359 2.944 20 0 GFADRO CCCC[N@H+](C)CCNC(=O)NCc1cc2c(c(Br)c1)OCO2 ZINC000490927285 564783167 /nfs/dbraw/zinc/78/31/67/564783167.db2.gz NBSTWWGOAODPQY-UHFFFAOYSA-N 1 0 386.290 2.709 20 0 GFADRO [NH3+]CC[C@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1)C(F)F ZINC000581071189 564786950 /nfs/dbraw/zinc/78/69/50/564786950.db2.gz IODKNBLZKYBMPL-STQMWFEESA-N 1 0 394.249 2.697 20 0 GFADRO CCN(CCC[NH+](C)C)C(=O)[C@@H]1CC(=O)Nc2ccc(Br)cc21 ZINC000555299907 564788949 /nfs/dbraw/zinc/78/89/49/564788949.db2.gz UPNPWGDPVHRBGU-CQSZACIVSA-N 1 0 382.302 2.675 20 0 GFADRO CN(C)C(=O)CCC[NH+]1CCN(Cc2cc(Br)ccc2F)CC1 ZINC000581140810 564789474 /nfs/dbraw/zinc/78/94/74/564789474.db2.gz RPMVAJTXFYPXNR-UHFFFAOYSA-N 1 0 386.309 2.574 20 0 GFADRO O=S(=O)(c1ccc(F)c(Br)c1)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000581131703 564789932 /nfs/dbraw/zinc/78/99/32/564789932.db2.gz OLJOXJVMZLDTLR-NWDGAFQWSA-N 1 0 391.306 2.598 20 0 GFADRO O=C(NC[C@H]1CCCC[N@H+]1CCO)N[C@H]1COc2c1ccc(Cl)c2Cl ZINC000581236200 564794679 /nfs/dbraw/zinc/79/46/79/564794679.db2.gz NMJLTFYSGSLBQX-RISCZKNCSA-N 1 0 388.295 2.573 20 0 GFADRO COc1cc(Br)c(C[NH2+][C@H](CCO)C2CCOCC2)cc1OC ZINC000461359159 564794816 /nfs/dbraw/zinc/79/48/16/564794816.db2.gz BCSXMBGERXUEAK-OAHLLOKOSA-N 1 0 388.302 2.734 20 0 GFADRO CN(Cc1ccc(Br)c(F)c1)c1cc(-n2cccn2)nc(N)[nH+]1 ZINC000491834166 564795227 /nfs/dbraw/zinc/79/52/27/564795227.db2.gz XOPLGPHUYXALEI-UHFFFAOYSA-N 1 0 377.221 2.783 20 0 GFADRO CC[C@H](C(=O)N1CCNC(=O)[C@@H]1c1cccc(Br)c1)[NH+](CC)CC ZINC000461490273 564798442 /nfs/dbraw/zinc/79/84/42/564798442.db2.gz LIMZMPBZJVLZSS-CVEARBPZSA-N 1 0 396.329 2.569 20 0 GFADRO [NH3+]CC1(NC(=O)Nc2cccc3cc(Br)cnc32)CCOCC1 ZINC000528687008 564800911 /nfs/dbraw/zinc/80/09/11/564800911.db2.gz CIPMSFXESXKJTI-UHFFFAOYSA-N 1 0 379.258 2.627 20 0 GFADRO C[N@H+](C[C@@H](O)CN1CCC[C@@H]1C(=O)Nc1cc(Cl)cc(Cl)c1)C1CC1 ZINC000581398621 564800941 /nfs/dbraw/zinc/80/09/41/564800941.db2.gz YNLAGGDFPJZOGK-IAGOWNOFSA-N 1 0 386.323 2.851 20 0 GFADRO CC(C)[NH+](CCNC(=O)C(=O)N[C@@H](C)c1ccc(Br)cc1)C(C)C ZINC000555663448 564801544 /nfs/dbraw/zinc/80/15/44/564801544.db2.gz STELCQPISMPUBA-AWEZNQCLSA-N 1 0 398.345 2.861 20 0 GFADRO CN1CCN(C(=O)Nc2cccc3cccc(Br)c32)[C@@H](C[NH3+])C1 ZINC000528704590 564801586 /nfs/dbraw/zinc/80/15/86/564801586.db2.gz JRULUAWSMALYSD-ZDUSSCGKSA-N 1 0 377.286 2.709 20 0 GFADRO OC[C@@H]([NH2+]C1CCN(CC(F)F)CC1)c1ccc(Br)c(F)c1 ZINC000492308460 564801625 /nfs/dbraw/zinc/80/16/25/564801625.db2.gz BMAPAKWZENEWCG-CQSZACIVSA-N 1 0 381.236 2.941 20 0 GFADRO Cc1nc(NC(=O)NC[C@H]2COCC[NH2+]2)sc1Cc1cccc(Cl)c1 ZINC000528696897 564801669 /nfs/dbraw/zinc/80/16/69/564801669.db2.gz YIHIOCXNEPQLSZ-AWEZNQCLSA-N 1 0 380.901 2.806 20 0 GFADRO CC1([NH+]2CCOCC2)CCN(C[C@H](O)c2cccc(Br)c2)CC1 ZINC000528731579 564802385 /nfs/dbraw/zinc/80/23/85/564802385.db2.gz UHBIOGNPGAPTBN-KRWDZBQOSA-N 1 0 383.330 2.669 20 0 GFADRO C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[NH2+]CC(=O)Nc1cccc(I)c1 ZINC000528755349 564803423 /nfs/dbraw/zinc/80/34/23/564803423.db2.gz GVBRFARWVXTBLA-JNIYBQFBSA-N 1 0 388.249 2.631 20 0 GFADRO Cc1ccc(NC(=O)C(=O)N[C@H](C)C[NH+]2CCC(C)CC2)c(Br)c1 ZINC000581500622 564805014 /nfs/dbraw/zinc/80/50/14/564805014.db2.gz YVRVEZCBWHPWBF-CQSZACIVSA-N 1 0 396.329 2.933 20 0 GFADRO O=S1(=O)CCC[C@@H](C[NH2+]Cc2cc(Cl)ccc2OC[C@H]2CCCO2)C1 ZINC000581511349 564805279 /nfs/dbraw/zinc/80/52/79/564805279.db2.gz IQQZRZCEQBBZQT-WMLDXEAASA-N 1 0 387.929 2.812 20 0 GFADRO C[C@H](C(=O)N(C)Cc1c(F)cccc1Cl)N1CC[C@H]2CC[C@@H](C1)[S@@]2=O ZINC000528784282 564805268 /nfs/dbraw/zinc/80/52/68/564805268.db2.gz RBIWUYWYWQYGLC-IYFOKCQASA-N 1 0 386.920 2.811 20 0 GFADRO C[NH+](C)C(C)(C)CNC(=O)CCOc1cccc(I)c1 ZINC000493499152 564807932 /nfs/dbraw/zinc/80/79/32/564807932.db2.gz FTHQYWKUYCGRFF-UHFFFAOYSA-N 1 0 390.265 2.517 20 0 GFADRO COC(=O)c1cc(Br)cc(C(=O)NCC[N@@H+]2CCCC[C@@H]2C)c1 ZINC000461916071 564808457 /nfs/dbraw/zinc/80/84/57/564808457.db2.gz MSIHWGAXMGHQTG-LBPRGKRZSA-N 1 0 383.286 2.840 20 0 GFADRO CC[NH+](CC)[C@H](CNC(=O)C(=O)N1CCS[C@H](C)[C@H]1C)c1ccsc1 ZINC000556058806 564811337 /nfs/dbraw/zinc/81/13/37/564811337.db2.gz DTLUFSGDXAKBJE-IIAWOOMASA-N 1 0 383.583 2.600 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NCc2c(Cl)cccc2Cl)C[C@H]1C ZINC000556134004 564813155 /nfs/dbraw/zinc/81/31/55/564813155.db2.gz JABXBOIAAIKTLH-CHWSQXEVSA-N 1 0 386.323 2.941 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NCc2c(Cl)cccc2Cl)C[C@@H]1C ZINC000556134007 564813381 /nfs/dbraw/zinc/81/33/81/564813381.db2.gz JABXBOIAAIKTLH-QWHCGFSZSA-N 1 0 386.323 2.941 20 0 GFADRO Fc1ccc(CNc2cc(N3CCOCC3)c(Br)c[nH+]2)c(F)c1 ZINC000556156304 564814059 /nfs/dbraw/zinc/81/40/59/564814059.db2.gz ZVVXVGPXMKHHOT-UHFFFAOYSA-N 1 0 384.224 3.571 20 0 GFADRO Fc1cccc(CNc2cc(N3CCOCC3)c(Br)c[nH+]2)c1F ZINC000556156293 564814366 /nfs/dbraw/zinc/81/43/66/564814366.db2.gz ZRJYREVYSMSBAE-UHFFFAOYSA-N 1 0 384.224 3.571 20 0 GFADRO COCCO[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CCc2sc(Br)cc21 ZINC000556179676 564814419 /nfs/dbraw/zinc/81/44/19/564814419.db2.gz VUZRCHHPNWKNCE-FRRDWIJNSA-N 1 0 376.316 2.908 20 0 GFADRO Cc1ccc(NC(=O)[C@H]2C[C@@]2(C)Br)cc1NC(=O)CC[NH+](C)C ZINC000529043057 564815521 /nfs/dbraw/zinc/81/55/21/564815521.db2.gz HHEQZWWKIWLQAY-CXAGYDPISA-N 1 0 382.302 2.997 20 0 GFADRO Cc1ccc(NC(=O)[C@H]2C[C@]2(C)Br)cc1NC(=O)CC[NH+](C)C ZINC000529043060 564815561 /nfs/dbraw/zinc/81/55/61/564815561.db2.gz HHEQZWWKIWLQAY-DYVFJYSZSA-N 1 0 382.302 2.997 20 0 GFADRO C[C@@H]1C[N@H+](CCCNS(=O)(=O)c2ccc(C(F)(F)F)s2)CCCO1 ZINC000462078523 564816739 /nfs/dbraw/zinc/81/67/39/564816739.db2.gz YTODVXJFQQDGEH-LLVKDONJSA-N 1 0 386.461 2.546 20 0 GFADRO C[N@H+](CCNS(=O)(=O)CCc1ccccc1Br)C1CCCC1 ZINC000462088007 564817770 /nfs/dbraw/zinc/81/77/70/564817770.db2.gz BUJPEWQUTLFURW-UHFFFAOYSA-N 1 0 389.359 2.785 20 0 GFADRO C[C@@H]1CN(C(=O)c2cccc(F)c2Br)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000494131439 564818060 /nfs/dbraw/zinc/81/80/60/564818060.db2.gz SKYCPOZCJMXBSS-CZUORRHYSA-N 1 0 398.320 2.686 20 0 GFADRO CSc1ccccc1NC(=O)CN(C)C(=O)C[N@@H+]1CCS[C@H](C)CC1 ZINC000494151727 564818226 /nfs/dbraw/zinc/81/82/26/564818226.db2.gz DWMLQHZHMXGOSO-CQSZACIVSA-N 1 0 381.567 2.633 20 0 GFADRO CSc1cc(N2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)nc(SC)n1 ZINC000581834989 564819993 /nfs/dbraw/zinc/81/99/93/564819993.db2.gz IOYUMBMFGPOQSX-GJZGRUSLSA-N 1 0 381.615 2.915 20 0 GFADRO Cc1cc(I)ccc1NC(=O)C[NH2+][C@@]1(C)CCO[C@H]1C ZINC000494249693 564820769 /nfs/dbraw/zinc/82/07/69/564820769.db2.gz CBVLWDXXPSBDDT-NHYWBVRUSA-N 1 0 388.249 2.695 20 0 GFADRO Cc1cc(I)ccc1NC(=O)C[NH2+][C@]1(C)CCO[C@@H]1C ZINC000494249692 564821258 /nfs/dbraw/zinc/82/12/58/564821258.db2.gz CBVLWDXXPSBDDT-IAQYHMDHSA-N 1 0 388.249 2.695 20 0 GFADRO Cn1nnc2cc(C[N@H+](CCO)Cc3cc(Br)cs3)ccc21 ZINC000494279380 564821979 /nfs/dbraw/zinc/82/19/79/564821979.db2.gz JZNZJGOITFDWQX-UHFFFAOYSA-N 1 0 381.299 2.787 20 0 GFADRO CS(=O)(=O)N1CCC([NH2+]Cc2cnc(-c3ccc(Cl)cc3)s2)CC1 ZINC000556388740 564822363 /nfs/dbraw/zinc/82/23/63/564822363.db2.gz WCAPCCPHTCABFM-UHFFFAOYSA-N 1 0 385.942 2.977 20 0 GFADRO CNC(=O)c1cccc(NC(=O)N2CCC([NH2+]C(C)C)CC2)c1Br ZINC000494386706 564827217 /nfs/dbraw/zinc/82/72/17/564827217.db2.gz RMOJZQAPHRFAJX-UHFFFAOYSA-N 1 0 397.317 2.803 20 0 GFADRO CC(C)[C@@H]1C[NH2+]CCN1C(=O)NCc1cc(Br)cc2c1OCC2 ZINC000529321289 564829432 /nfs/dbraw/zinc/82/94/32/564829432.db2.gz HHTWISDLCIHQDC-HNNXBMFYSA-N 1 0 382.302 2.523 20 0 GFADRO CC(C)[C@H]1C[NH2+]CCN1C(=O)N[C@H](c1cncc(Br)c1)C1CC1 ZINC000529329104 564829715 /nfs/dbraw/zinc/82/97/15/564829715.db2.gz JPBDKLVLDQUAPZ-CVEARBPZSA-N 1 0 381.318 2.935 20 0 GFADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)Nc1ccncc1Br ZINC000462274225 564829855 /nfs/dbraw/zinc/82/98/55/564829855.db2.gz YIQZKIYKTZNDGT-DYVFJYSZSA-N 1 0 389.297 2.908 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(C(=O)Nc3cnn(-c4ncc(Cl)cc4Cl)c3)C[C@@H]21 ZINC000556577630 564830844 /nfs/dbraw/zinc/83/08/44/564830844.db2.gz GDGPBZGNIVXEIB-YGRLFVJLSA-N 1 0 381.267 2.742 20 0 GFADRO O=S(=O)(N[C@@H]1CC[N@@H+](C2CCCC2)C1)c1ccc(Br)c(F)c1 ZINC000462280882 564830869 /nfs/dbraw/zinc/83/08/69/564830869.db2.gz YAMNRTZBKTXZJQ-LLVKDONJSA-N 1 0 391.306 2.883 20 0 GFADRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1Cc1cccc(I)c1 ZINC000556600763 564832103 /nfs/dbraw/zinc/83/21/03/564832103.db2.gz JFPODUNAXVJOSF-ZDUSSCGKSA-N 1 0 388.293 2.568 20 0 GFADRO CC[C@H](CCc1ccc(Br)cc1)[NH2+]CCn1cc(C(=O)OC)nn1 ZINC000556610358 564832361 /nfs/dbraw/zinc/83/23/61/564832361.db2.gz GATSAGWUVPEMBQ-OAHLLOKOSA-N 1 0 395.301 2.828 20 0 GFADRO CSC1(CNC(=O)NCCc2ccc(F)c(F)c2F)CC[NH+](C)CC1 ZINC000582213827 564835465 /nfs/dbraw/zinc/83/54/65/564835465.db2.gz FBEJCYDLTRLXIC-UHFFFAOYSA-N 1 0 375.460 2.773 20 0 GFADRO C[C@H]1CN(C2CC2)C[C@H]1[NH2+]CCCNC(=O)c1ccc(Br)cc1 ZINC000494698283 564836801 /nfs/dbraw/zinc/83/68/01/564836801.db2.gz UXJBXHHUQPBMET-SUMWQHHRSA-N 1 0 380.330 2.641 20 0 GFADRO C[C@H]1O[C@@H](C)[C@H](C)[C@H]1C(=O)Nc1cc(N2CCOCC2)c(Br)cn1 ZINC000529469013 564837075 /nfs/dbraw/zinc/83/70/75/564837075.db2.gz BVGOETNIUJFXTB-PVTKRXDGSA-N 1 0 398.301 2.679 20 0 GFADRO CC[NH+]1CCC(CCNS(=O)(=O)c2cc(Cl)cc(C(=O)OC)c2)CC1 ZINC000462393092 564837391 /nfs/dbraw/zinc/83/73/91/564837391.db2.gz JTUHUWDIRDOYBH-UHFFFAOYSA-N 1 0 388.917 2.527 20 0 GFADRO Cn1ncc(Br)c1C(=O)NCC1([N@H+](C)Cc2ccccc2)CCC1 ZINC000582283086 564839115 /nfs/dbraw/zinc/83/91/15/564839115.db2.gz MYFFRIQRLPMCMN-UHFFFAOYSA-N 1 0 391.313 2.967 20 0 GFADRO Cc1c(S(=O)(=O)N2CCC([NH+](C)C)CC2)cnn1-c1ccc(Cl)cc1 ZINC000462443230 564839706 /nfs/dbraw/zinc/83/97/06/564839706.db2.gz WQQOABOWEBCLSV-UHFFFAOYSA-N 1 0 382.917 2.549 20 0 GFADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)NC[C@H](C)[N@@H+]2CCCC[C@H]2C)c1 ZINC000462441748 564839879 /nfs/dbraw/zinc/83/98/79/564839879.db2.gz PQLJXOGRPPCXEV-OLZOCXBDSA-N 1 0 388.917 2.668 20 0 GFADRO CS(=O)(=O)N1CC[C@@H]([NH2+][C@@H](c2cccc(OC(F)(F)F)c2)C2CC2)C1 ZINC000582305643 564840005 /nfs/dbraw/zinc/84/00/05/564840005.db2.gz IGMYFIVBRSCZHX-UKRRQHHQSA-N 1 0 378.416 2.660 20 0 GFADRO C[C@H]1CCc2nc(C[NH2+]C3CCN(S(=O)(=O)C(C)(C)C)CC3)sc2C1 ZINC000494844910 564841409 /nfs/dbraw/zinc/84/14/09/564841409.db2.gz KEUMQKMXRFJTAQ-ZDUSSCGKSA-N 1 0 385.599 2.950 20 0 GFADRO O=C(NCc1noc(-c2cccs2)n1)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000556819995 564841771 /nfs/dbraw/zinc/84/17/71/564841771.db2.gz NUIUJODXTRSVLA-ZDUSSCGKSA-N 1 0 378.523 2.632 20 0 GFADRO COc1ccc(Br)cc1C(=O)CCC(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000494887360 564842853 /nfs/dbraw/zinc/84/28/53/564842853.db2.gz CTEQOSUNZONQIQ-WFASDCNBSA-N 1 0 395.297 2.631 20 0 GFADRO CNC(=O)CCOC1CC[NH+](CCOc2cc(Cl)cc(Cl)c2)CC1 ZINC000494921130 564843609 /nfs/dbraw/zinc/84/36/09/564843609.db2.gz IFIKQVPGQOHECB-UHFFFAOYSA-N 1 0 375.296 2.989 20 0 GFADRO CSC1(CNC(=O)N[C@@H](CCO)c2ccc(Cl)cc2)CC[NH+](C)CC1 ZINC000462508435 564844475 /nfs/dbraw/zinc/84/44/75/564844475.db2.gz WJDIBSPKLCKQTJ-INIZCTEOSA-N 1 0 385.961 2.890 20 0 GFADRO O=C(Nc1cnc2c(Br)cccn12)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC000556898662 564845412 /nfs/dbraw/zinc/84/54/12/564845412.db2.gz PJOPLLOFOAVMDE-AWEZNQCLSA-N 1 0 393.285 2.679 20 0 GFADRO C[C@@H]1C[N@@H+](CC2CCN(Cc3c(Br)cnn3C)CC2)C[C@H](C)O1 ZINC000494999683 564845969 /nfs/dbraw/zinc/84/59/69/564845969.db2.gz VGARWHCHBHQHAE-OKILXGFUSA-N 1 0 385.350 2.504 20 0 GFADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)NC[C@@H](C)C[NH+]2CCCCC2)c1 ZINC000462545562 564847161 /nfs/dbraw/zinc/84/71/61/564847161.db2.gz XPBARRNMEUTUKC-CYBMUJFWSA-N 1 0 388.917 2.527 20 0 GFADRO CN1CCN(C(=O)Nc2ccc(Br)c(C(F)(F)F)c2)[C@@H](C[NH3+])C1 ZINC000556948442 564848067 /nfs/dbraw/zinc/84/80/67/564848067.db2.gz LSZKOTRXBHDYNU-JTQLQIEISA-N 1 0 395.223 2.575 20 0 GFADRO C[C@@H]1C[C@H]([NH2+]C[C@H](O)COc2ccc(I)cc2)[C@@H]1C ZINC000495083500 564848785 /nfs/dbraw/zinc/84/87/85/564848785.db2.gz XWGDZRBFHPIMOI-ZSEWYUTFSA-N 1 0 375.250 2.665 20 0 GFADRO O=C(NC[C@H]1CC[N@@H+]1C1CCCCC1)c1cnn2cc(Br)cnc12 ZINC000529717946 564848858 /nfs/dbraw/zinc/84/88/58/564848858.db2.gz HVNVLYFIQCJNCR-CQSZACIVSA-N 1 0 392.301 2.629 20 0 GFADRO Cc1c(S(=O)(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)cnn1-c1ccc(Cl)cc1 ZINC000582487545 564849279 /nfs/dbraw/zinc/84/92/79/564849279.db2.gz ZRBAPRBSFCYWGW-UKRRQHHQSA-N 1 0 382.917 2.630 20 0 GFADRO C[C@@H](CCCC[NH3+])NC(=O)CCNC(=O)Nc1ccc(Br)cc1 ZINC000495124666 564849694 /nfs/dbraw/zinc/84/96/94/564849694.db2.gz WYSPJUHGSFUWTH-LBPRGKRZSA-N 1 0 385.306 2.594 20 0 GFADRO O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCC2 ZINC000495133541 564850030 /nfs/dbraw/zinc/85/00/30/564850030.db2.gz UQKRMLJWHXZFHB-ATCWAGBWSA-N 1 0 377.275 2.615 20 0 GFADRO CCN(CCC[NH+](C)C)C(=O)COc1ccc(Br)cc1C(C)=O ZINC000557012393 564851015 /nfs/dbraw/zinc/85/10/15/564851015.db2.gz QTUFWIMIGAHRCT-UHFFFAOYSA-N 1 0 385.302 2.831 20 0 GFADRO [NH3+]C[C@@H]1CCCC[C@@]12NC(=O)N(Cc1csc(-c3cccs3)n1)C2=O ZINC000582544264 564851381 /nfs/dbraw/zinc/85/13/81/564851381.db2.gz CKLYBYZIVDHVOZ-APPDUMDISA-N 1 0 376.507 2.811 20 0 GFADRO Cc1ncc(C[NH2+][C@@H]2CCN(c3ccc(Br)c(C)c3)C2=O)n1C ZINC000582557599 564852104 /nfs/dbraw/zinc/85/21/04/564852104.db2.gz NYFPCPZVIJGHPF-MRXNPFEDSA-N 1 0 377.286 2.695 20 0 GFADRO CCOc1cc(C[NH2+][C@H]2CC(=O)N3CCCC[C@@H]23)cc(Br)c1O ZINC000582591701 564853396 /nfs/dbraw/zinc/85/33/96/564853396.db2.gz GHKYGEXQBFEMAY-KBPBESRZSA-N 1 0 383.286 2.796 20 0 GFADRO O=C(NC[C@H]1C[NH2+]CCCO1)N1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000557241162 564858591 /nfs/dbraw/zinc/85/85/91/564858591.db2.gz SUHCABSCLKQNHC-ZIAGYGMSSA-N 1 0 388.295 2.535 20 0 GFADRO CC(C)[N@H+](C)CCNC(=O)N1CCN(c2cccc(Br)c2)CC1 ZINC000557347671 564860418 /nfs/dbraw/zinc/86/04/18/564860418.db2.gz ITFGUMWMDCKNQN-UHFFFAOYSA-N 1 0 383.334 2.621 20 0 GFADRO C[C@@]1(F)C[NH2+]CCN(Cc2nc(-c3ccc(Br)s3)no2)C1 ZINC000582786815 564861814 /nfs/dbraw/zinc/86/18/14/564861814.db2.gz IXDHYGTVPNDWAO-CYBMUJFWSA-N 1 0 375.267 2.694 20 0 GFADRO C[C@]1(C(=O)N2CCN(C(=O)c3cc4sccc4s3)CC2)CCC[NH2+]C1 ZINC000497320392 564864832 /nfs/dbraw/zinc/86/48/32/564864832.db2.gz WAJUVUSVUMZMHU-SFHVURJKSA-N 1 0 377.535 2.637 20 0 GFADRO COC(=O)c1cn(CC[NH2+]Cc2cnc(-c3ccc(Cl)cc3)s2)nn1 ZINC000582860426 564865089 /nfs/dbraw/zinc/86/50/89/564865089.db2.gz BRLNRGGAXOLXOY-UHFFFAOYSA-N 1 0 377.857 2.631 20 0 GFADRO NC(=O)Cc1cc(Br)c(-c2ccc(NC(=O)C3([NH3+])CC3)cc2)s1 ZINC000497342818 564865305 /nfs/dbraw/zinc/86/53/05/564865305.db2.gz PKTAOGWMJCCEHZ-UHFFFAOYSA-N 1 0 394.294 2.635 20 0 GFADRO [NH3+]C[C@H]1CCCN(S(=O)(=O)c2c(Cl)cc(F)cc2Br)C1 ZINC000497354954 564865539 /nfs/dbraw/zinc/86/55/39/564865539.db2.gz PDNIILMRPLANOE-MRVPVSSYSA-N 1 0 385.686 2.601 20 0 GFADRO [NH3+]CC1CCN(S(=O)(=O)c2c(Cl)cc(F)cc2Br)CC1 ZINC000497352101 564865747 /nfs/dbraw/zinc/86/57/47/564865747.db2.gz HFAWOCPTXCAJQV-UHFFFAOYSA-N 1 0 385.686 2.601 20 0 GFADRO C[C@H](CNC(=O)NCCNc1cccc(Br)c1)C[NH+]1CCCC1 ZINC000497398230 564866135 /nfs/dbraw/zinc/86/61/35/564866135.db2.gz ZUUROFDAUCVDHN-CQSZACIVSA-N 1 0 383.334 2.892 20 0 GFADRO C[N@@H+]1CC[C@H]2CCN(C(=O)NCCc3ccc(F)c(Br)c3)[C@@H]2C1 ZINC000497406021 564866693 /nfs/dbraw/zinc/86/66/93/564866693.db2.gz DCJKTQLHPQIYNM-XJKSGUPXSA-N 1 0 384.293 2.866 20 0 GFADRO [NH3+][C@H](CC(F)F)C(=O)NCc1cc(Cl)cc(I)c1 ZINC000582903523 564867126 /nfs/dbraw/zinc/86/71/26/564867126.db2.gz FEMFBOSIDPRKLE-SECBINFHSA-N 1 0 388.583 2.543 20 0 GFADRO CCCN(CC[NH+]1CCCC1)C(=O)c1cc(I)c[nH]1 ZINC000557580389 564868278 /nfs/dbraw/zinc/86/82/78/564868278.db2.gz GWPKSSKOXHGDIL-UHFFFAOYSA-N 1 0 375.254 2.567 20 0 GFADRO Brc1ccc2nc(C[N@@H+]3CC[C@H](CN4CCOCC4)C3)oc2c1 ZINC000463101571 564870216 /nfs/dbraw/zinc/87/02/16/564870216.db2.gz IQJFHAAVWUGICL-CYBMUJFWSA-N 1 0 380.286 2.744 20 0 GFADRO COCCN(CC[N@@H+]1CCCOCC1)Cc1cc(Br)cs1 ZINC000463209695 564872379 /nfs/dbraw/zinc/87/23/79/564872379.db2.gz DENWODAXOBKIKS-UHFFFAOYSA-N 1 0 377.348 2.681 20 0 GFADRO COC(=O)c1cc(C[NH2+]C[C@@H](CO)Cc2cccc(Br)c2)cn1C ZINC000583076598 564874525 /nfs/dbraw/zinc/87/45/25/564874525.db2.gz JGGNSKGVDBRECB-HNNXBMFYSA-N 1 0 395.297 2.515 20 0 GFADRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1cnnn1-c1c(Cl)cccc1Cl ZINC000530322379 564875934 /nfs/dbraw/zinc/87/59/34/564875934.db2.gz BWNLKNAKEXYYFF-HZMBPMFUSA-N 1 0 380.279 2.787 20 0 GFADRO CC[N@@H+]1CCCC[C@H]1CNS(=O)(=O)c1c(F)cccc1OC(F)(F)F ZINC000557822986 564878407 /nfs/dbraw/zinc/87/84/07/564878407.db2.gz PRIKFJRSSUZLJH-NSHDSACASA-N 1 0 384.395 2.877 20 0 GFADRO COCC[N@H+](C)CCCNC(=O)N[C@H]1C[C@H](c2ccc(Br)cc2)C1 ZINC000463376180 564878344 /nfs/dbraw/zinc/87/83/44/564878344.db2.gz OFFHDTXRFZIFEB-JCNLHEQBSA-N 1 0 398.345 2.963 20 0 GFADRO COc1cc(C[NH2+]C[C@H]2CS(=O)(=O)c3ccccc3O2)ccc1SC ZINC000583144269 564878541 /nfs/dbraw/zinc/87/85/41/564878541.db2.gz YWEUXPVYHVQYNA-AWEZNQCLSA-N 1 0 379.503 2.742 20 0 GFADRO CC[N@@H+]1CCCC[C@@H]1CNS(=O)(=O)c1c(F)cccc1OC(F)(F)F ZINC000557822985 564879013 /nfs/dbraw/zinc/87/90/13/564879013.db2.gz PRIKFJRSSUZLJH-LLVKDONJSA-N 1 0 384.395 2.877 20 0 GFADRO [NH3+]Cc1cc(C(=O)NC[C@@H]2CCN(c3cccc(Br)c3)C2)ccn1 ZINC000463479530 564882399 /nfs/dbraw/zinc/88/23/99/564882399.db2.gz SEAUGHOVEKKJFU-ZDUSSCGKSA-N 1 0 389.297 2.559 20 0 GFADRO CC[NH+](CC)CC[C@@H](CO)NC(=O)c1cc(Br)cc2cccnc21 ZINC000583272785 564884730 /nfs/dbraw/zinc/88/47/30/564884730.db2.gz VQZXZIHTLAQPLP-HNNXBMFYSA-N 1 0 394.313 2.820 20 0 GFADRO C[C@@H](C[NH+]1CCOCC1)C(=O)N1CC[C@H](Cc2ccc(Br)cc2)C1 ZINC000498013233 564885036 /nfs/dbraw/zinc/88/50/36/564885036.db2.gz NIBMSMXHJIYSGX-DOTOQJQBSA-N 1 0 395.341 2.808 20 0 GFADRO O=C(Nc1ccc(Oc2ncc(Cl)cn2)c(Cl)c1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000583310367 564886618 /nfs/dbraw/zinc/88/66/18/564886618.db2.gz OKABUMJYHZZSRW-YABSGUDNSA-N 1 0 380.235 2.915 20 0 GFADRO C[C@@](O)(C[NH2+]Cc1ccc(S(C)(=O)=O)c(C(F)(F)F)c1)C(F)(F)F ZINC000583495378 564894070 /nfs/dbraw/zinc/89/40/70/564894070.db2.gz BEKJIGLBKGMNFB-LLVKDONJSA-N 1 0 379.322 2.512 20 0 GFADRO Cc1cc(N2CCC[C@H]([NH2+][C@H]3CN(C)C[C@H]3C)C2=O)ccc1Br ZINC000464074525 564895233 /nfs/dbraw/zinc/89/52/33/564895233.db2.gz VJJWFIDZPLIQGL-COXVUDFISA-N 1 0 380.330 2.793 20 0 GFADRO CC(C)[N@@H+]1CCO[C@H](C(=O)NCCCc2ccc(Br)cc2F)C1 ZINC000498332475 564896092 /nfs/dbraw/zinc/89/60/92/564896092.db2.gz BJLXLIVZOFJOJO-INIZCTEOSA-N 1 0 387.293 2.746 20 0 GFADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)NCc1nn(C)cc1Br ZINC000583606513 564899368 /nfs/dbraw/zinc/89/93/68/564899368.db2.gz COJDWQRADQDUOJ-UKRRQHHQSA-N 1 0 391.313 2.567 20 0 GFADRO CSC1(C[NH2+]C[C@@H](O)COc2ccc(I)cc2)CC1 ZINC000558405256 564899626 /nfs/dbraw/zinc/89/96/26/564899626.db2.gz QUGNRAYLGZNCOC-GFCCVEGCSA-N 1 0 393.290 2.516 20 0 GFADRO CN(C[C@@H]1CCC[N@H+](Cc2cnc(-c3ccsc3)s2)C1)S(C)(=O)=O ZINC000558414248 564899989 /nfs/dbraw/zinc/89/99/89/564899989.db2.gz ZDSVUJGRRZCCQA-ZDUSSCGKSA-N 1 0 385.580 2.975 20 0 GFADRO C[C@@H](CCO)C1(C[NH2+]C[C@@H](O)COc2cccc(Br)c2)CCC1 ZINC000583631387 564900638 /nfs/dbraw/zinc/90/06/38/564900638.db2.gz VLQFRXOHJPOLGN-GOEBONIOSA-N 1 0 386.330 2.967 20 0 GFADRO CC[N@@H+]1C[C@@H](C)N(C(=O)Cc2ccccc2I)C[C@H]1C ZINC000498552825 564902028 /nfs/dbraw/zinc/90/20/28/564902028.db2.gz CKUSOOQOPKUFLZ-CHWSQXEVSA-N 1 0 386.277 2.775 20 0 GFADRO CC[N@@H+]1C[C@@H](C)N(C(=O)c2cc(F)ccc2I)C[C@H]1C ZINC000498573466 564902598 /nfs/dbraw/zinc/90/25/98/564902598.db2.gz UIMHWQSQVBBDGX-GHMZBOCLSA-N 1 0 390.240 2.985 20 0 GFADRO CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)NCc1n[nH]cc1Br ZINC000531190911 564903392 /nfs/dbraw/zinc/90/33/92/564903392.db2.gz YBAYPQVXQOIAKU-GXTWGEPZSA-N 1 0 386.338 2.872 20 0 GFADRO C[C@H](CC[NH+](C)C)NC(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1 ZINC000498645818 564904022 /nfs/dbraw/zinc/90/40/22/564904022.db2.gz XKNDIVJBKMFWDM-CQSZACIVSA-N 1 0 386.945 2.883 20 0 GFADRO Cc1cc(S(=O)(=O)NC[C@@]2([NH+](C)C)CCSC2)ccc1C(F)(F)F ZINC000583721691 564904355 /nfs/dbraw/zinc/90/43/55/564904355.db2.gz KITOFOIMHIGYPO-AWEZNQCLSA-N 1 0 382.473 2.729 20 0 GFADRO Cc1cc(Br)ccc1C(=O)N1CCC([NH2+]CCc2cn[nH]c2)CC1 ZINC000558509978 564904751 /nfs/dbraw/zinc/90/47/51/564904751.db2.gz VSRRYZDPTWOPDH-UHFFFAOYSA-N 1 0 391.313 2.918 20 0 GFADRO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CNC(=O)c1ccc(Cl)cc1Cl ZINC000531396527 564909683 /nfs/dbraw/zinc/90/96/83/564909683.db2.gz SNEOSGSSKXWWIT-KGLIPLIRSA-N 1 0 384.307 2.808 20 0 GFADRO COc1ccc(Br)c(CNC(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)c1 ZINC000583860704 564911034 /nfs/dbraw/zinc/91/10/34/564911034.db2.gz CIJIBXMLSOTNOE-GOEBONIOSA-N 1 0 382.302 2.645 20 0 GFADRO COc1ccc(C[NH2+][C@@H](CCSC)C(=O)N(C)C)cc1Br ZINC000583894949 564911869 /nfs/dbraw/zinc/91/18/69/564911869.db2.gz PEWPXPYIPDOKFA-ZDUSSCGKSA-N 1 0 375.332 2.757 20 0 GFADRO O=S(=O)(c1cc(F)ccc1Br)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000583934738 564913408 /nfs/dbraw/zinc/91/34/08/564913408.db2.gz SUQUXKIKXHMYPX-NWDGAFQWSA-N 1 0 391.306 2.598 20 0 GFADRO C[N@H+](CC1CC1)C[C@@H]1CCN(Cc2ncc(I)s2)C1 ZINC000584020543 564916724 /nfs/dbraw/zinc/91/67/24/564916724.db2.gz IJFJENFKWDSVDA-LBPRGKRZSA-N 1 0 391.322 2.911 20 0 GFADRO C[C@H](Oc1cccc(Cl)c1Cl)C(=O)NC1(CCO)CC[NH+](C)CC1 ZINC000499122599 564918563 /nfs/dbraw/zinc/91/85/63/564918563.db2.gz CKFGXXVDRSYXMI-LBPRGKRZSA-N 1 0 375.296 2.724 20 0 GFADRO CN(C)c1ncc(Br)cc1C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000499157109 564919237 /nfs/dbraw/zinc/91/92/37/564919237.db2.gz OAUMBQMQJCNSFV-UHFFFAOYSA-N 1 0 383.334 2.904 20 0 GFADRO CCOc1cc(C[N@H+](C)CCNC(=O)N(C)C)cc(Br)c1OC ZINC000499231513 564921044 /nfs/dbraw/zinc/92/10/44/564921044.db2.gz VQQVLWIULWYSNP-UHFFFAOYSA-N 1 0 388.306 2.559 20 0 GFADRO [NH3+][C@H]1CCCC[C@H]1CC(=O)Nc1ncn(Cc2cccc(Br)c2)n1 ZINC000584113748 564921734 /nfs/dbraw/zinc/92/17/34/564921734.db2.gz GPMCJVBRNMCMRH-ZFWWWQNUSA-N 1 0 392.301 2.935 20 0 GFADRO CC(C)(C)OC(=O)CC[NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000584168272 564923229 /nfs/dbraw/zinc/92/32/29/564923229.db2.gz ZNIKYSYEFHMGCV-CYBMUJFWSA-N 1 0 392.265 2.649 20 0 GFADRO CCS(=O)(=O)N(C)CCC[NH2+][C@H](C)c1ccc(OCC(F)(F)F)cc1 ZINC000531937337 564924909 /nfs/dbraw/zinc/92/49/09/564924909.db2.gz XLWTZHZGPDZJCE-CYBMUJFWSA-N 1 0 382.448 2.950 20 0 GFADRO CC[NH+](CC)CCOC1CCN(C(=O)c2ccc(Br)cn2)CC1 ZINC000465268596 564926342 /nfs/dbraw/zinc/92/63/42/564926342.db2.gz VKPZQQMIZYHRKP-UHFFFAOYSA-N 1 0 384.318 2.807 20 0 GFADRO CC[NH+](CC)CC[C@H](CO)NC(=O)c1ccc(Br)c2c1OCCC2 ZINC000584241223 564926793 /nfs/dbraw/zinc/92/67/93/564926793.db2.gz GIUCYNKVSHUIFM-CYBMUJFWSA-N 1 0 399.329 2.597 20 0 GFADRO Cc1[nH]nc2ncc(C[NH2+]C[C@H](O)COc3ccccc3Br)cc12 ZINC000532213031 564932394 /nfs/dbraw/zinc/93/23/94/564932394.db2.gz PPYXCVWVYUUIJC-ZDUSSCGKSA-N 1 0 391.269 2.558 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)N1CCC([C@@H](O)C(F)(F)F)CC1)c1ccsc1 ZINC000532214578 564932487 /nfs/dbraw/zinc/93/24/87/564932487.db2.gz SDKZEHFDOPBNAZ-UONOGXRCSA-N 1 0 379.448 2.696 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@H](C)Oc1ccc(Br)cc1 ZINC000466014612 564935112 /nfs/dbraw/zinc/93/51/12/564935112.db2.gz ZGAJYBWGEFVSBO-ZFWWWQNUSA-N 1 0 384.318 3.000 20 0 GFADRO COc1cc(C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)cc(Br)c1OC ZINC000559563485 564936164 /nfs/dbraw/zinc/93/61/64/564936164.db2.gz OFVRPWKCQZJDBU-CYBMUJFWSA-N 1 0 383.286 2.777 20 0 GFADRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NCCc1cc(Br)ccc1F ZINC000466266549 564936979 /nfs/dbraw/zinc/93/69/79/564936979.db2.gz SSBCJFHMYXHSFJ-MEDUHNTESA-N 1 0 384.293 2.913 20 0 GFADRO COC(=O)c1cccc(NC(=O)N2CC[N@H+](C)CC[C@H]2C)c1Br ZINC000499830016 564938024 /nfs/dbraw/zinc/93/80/24/564938024.db2.gz WBAKLDFFSMZCNX-LLVKDONJSA-N 1 0 384.274 2.794 20 0 GFADRO COC1(C[NH2+]Cc2ccc(I)c(C)c2)CCOCC1 ZINC000466361335 564939111 /nfs/dbraw/zinc/93/91/11/564939111.db2.gz TXBMFYZQLQNOFF-UHFFFAOYSA-N 1 0 375.250 2.885 20 0 GFADRO C[C@@H](CNC(=O)N1CC[N@H+](C)CC[C@@H]1C)Oc1ccc(Br)cc1 ZINC000466380733 564939637 /nfs/dbraw/zinc/93/96/37/564939637.db2.gz OZEMCBXXQUIDAA-KBPBESRZSA-N 1 0 384.318 2.952 20 0 GFADRO CC(C)[N@H+](C)CCCNC(=O)c1cccc(F)c1I ZINC000532755775 564944088 /nfs/dbraw/zinc/94/40/88/564944088.db2.gz WHPRCHIJYJCOIO-UHFFFAOYSA-N 1 0 378.229 2.890 20 0 GFADRO C[C@@H](CNS(=O)(=O)c1ccc(OC(F)F)c(F)c1)C[NH+]1CCCCC1 ZINC000560022449 564945498 /nfs/dbraw/zinc/94/54/98/564945498.db2.gz PQMXMYOISJRUPD-LBPRGKRZSA-N 1 0 380.432 2.827 20 0 GFADRO COCC[C@H]([NH2+]CC1(O)CCS(=O)(=O)CC1)c1ccc(Cl)c(Cl)c1 ZINC000560185166 564952411 /nfs/dbraw/zinc/95/24/11/564952411.db2.gz QKEYDEIVTNSBCI-HNNXBMFYSA-N 1 0 396.336 2.600 20 0 GFADRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1csc(I)c1 ZINC000467031538 564953411 /nfs/dbraw/zinc/95/34/11/564953411.db2.gz FDRJWGOEIMPTFM-KWQFWETISA-N 1 0 376.263 2.565 20 0 GFADRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)CCOc1ccc(Br)cc1F ZINC000467028951 564953383 /nfs/dbraw/zinc/95/33/83/564953383.db2.gz OFSPRGXMGWSWBX-IAQYHMDHSA-N 1 0 385.277 2.956 20 0 GFADRO Cc1ccc(C[NH2+][C@H]2CCC[C@H]2CNS(C)(=O)=O)cc1Br ZINC000500460120 564954360 /nfs/dbraw/zinc/95/43/60/564954360.db2.gz HLGUTEIWXYXOGN-ZFWWWQNUSA-N 1 0 375.332 2.565 20 0 GFADRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1cnn(-c2cccc(Br)c2)c1 ZINC000467048449 564954593 /nfs/dbraw/zinc/95/45/93/564954593.db2.gz RZYALYHFXRSBJJ-YVEFUNNKSA-N 1 0 389.297 2.847 20 0 GFADRO COc1c(Cl)cc(NC(=O)C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)cc1Cl ZINC000467094345 564955736 /nfs/dbraw/zinc/95/57/36/564955736.db2.gz YCVIILPLLRIUEK-YMTOWFKASA-N 1 0 386.279 2.539 20 0 GFADRO COC(=O)c1ccc(CN(CCO)[C@H]2CCCSC2)c(Br)c1 ZINC000560284381 564956155 /nfs/dbraw/zinc/95/61/55/564956155.db2.gz AHUPGEMKRMAEAO-AWEZNQCLSA-N 1 0 388.327 2.926 20 0 GFADRO COc1cc(Cl)c(C[NH2+][C@H]2CCC[C@@H]2CNS(C)(=O)=O)cc1Cl ZINC000500543545 564957180 /nfs/dbraw/zinc/95/71/80/564957180.db2.gz CXHLEJSKCPDXAF-YGRLFVJLSA-N 1 0 381.325 2.810 20 0 GFADRO CNC(=O)NC(=O)CC[NH+]1CCC(COc2cc(Cl)cc(Cl)c2)CC1 ZINC000533293655 564960493 /nfs/dbraw/zinc/96/04/93/564960493.db2.gz YLLQZGLZXZMGSV-UHFFFAOYSA-N 1 0 388.295 2.930 20 0 GFADRO COc1cc2c(cc1F)CC[C@@H]2[NH2+]CCNS(=O)(=O)c1ccc(C)s1 ZINC000467375946 564961583 /nfs/dbraw/zinc/96/15/83/564961583.db2.gz HMGHVQYCCLDZQC-HNNXBMFYSA-N 1 0 384.498 2.760 20 0 GFADRO C[NH+](C)CCN(Cc1ccccn1)C(=O)c1[nH]nc(C2CC2)c1Br ZINC000500761469 564962151 /nfs/dbraw/zinc/96/21/51/564962151.db2.gz HFQIKWUZLFEAIN-UHFFFAOYSA-N 1 0 392.301 2.649 20 0 GFADRO C[C@H](O)C[N@H+](Cc1cc(=O)n2cc(Br)ccc2n1)C1CCCCC1 ZINC000533420981 564962146 /nfs/dbraw/zinc/96/21/46/564962146.db2.gz BZDWNRHIOLCHGB-ZDUSSCGKSA-N 1 0 394.313 2.973 20 0 GFADRO CC[NH+](CC)CCCCNC(=O)[C@H](C)NC(=O)c1ccc(Br)cc1 ZINC000500820722 564963530 /nfs/dbraw/zinc/96/35/30/564963530.db2.gz GUEXIGONMSFPRW-AWEZNQCLSA-N 1 0 398.345 2.806 20 0 GFADRO C[C@H](Cn1cc(Br)cn1)[NH2+][C@@H]1CC(=O)N(Cc2ccccc2)[C@@H]1C ZINC000467435400 564963614 /nfs/dbraw/zinc/96/36/14/564963614.db2.gz SHBWYPXVBUXXBC-CKEIUWERSA-N 1 0 391.313 2.813 20 0 GFADRO COc1ccc([C@@H](C[NH+](C)C)NC(=O)NCCSCC(F)(F)F)cc1 ZINC000500900886 564965330 /nfs/dbraw/zinc/96/53/30/564965330.db2.gz PNLXLXKEGMFJQF-CQSZACIVSA-N 1 0 379.448 2.893 20 0 GFADRO Cc1ccc(CCC[NH2+]CCCNS(=O)(=O)c2ccccc2Cl)cn1 ZINC000467519869 564966418 /nfs/dbraw/zinc/96/64/18/564966418.db2.gz SAFBHKSKJIKQTK-UHFFFAOYSA-N 1 0 381.929 2.934 20 0 GFADRO CC[C@@H](Cc1cccc(Br)c1)C(=O)NC1(CCO)CC[NH+](C)CC1 ZINC000467536686 564966478 /nfs/dbraw/zinc/96/64/78/564966478.db2.gz SNDMMCMOVGEIRN-INIZCTEOSA-N 1 0 397.357 2.981 20 0 GFADRO CN(Cc1ccccc1Br)C(=O)C[N@@H+]1CCCC[C@@H]1C1(O)CC1 ZINC000560590917 564969342 /nfs/dbraw/zinc/96/93/42/564969342.db2.gz YZOGATDWVPVVEQ-MRXNPFEDSA-N 1 0 381.314 2.787 20 0 GFADRO CC[C@H](Cc1ccccc1Br)NC(=O)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O ZINC000467715095 564970045 /nfs/dbraw/zinc/97/00/45/564970045.db2.gz LQLWMIDGHVUKIL-WTXIUTQJSA-N 1 0 393.325 2.701 20 0 GFADRO C[NH+](C)CC1CCN(S(=O)(=O)c2cc(F)c(Br)cc2F)CC1 ZINC000501153186 564972115 /nfs/dbraw/zinc/97/21/15/564972115.db2.gz GHKAMVFIEMNRKE-UHFFFAOYSA-N 1 0 397.285 2.690 20 0 GFADRO Cc1cc2c(o1)c(C(=O)NC[C@@H](C)N1CC[NH+](C)CC1)ccc2Br ZINC000467841705 564974378 /nfs/dbraw/zinc/97/43/78/564974378.db2.gz NGOPSIBFLCAXGZ-GFCCVEGCSA-N 1 0 394.313 2.869 20 0 GFADRO COCC[N@H+](C)CCCNC(=O)c1cc(Br)cc2cccnc21 ZINC000533925048 564976728 /nfs/dbraw/zinc/97/67/28/564976728.db2.gz MQRGJCDOROGXQS-UHFFFAOYSA-N 1 0 380.286 2.695 20 0 GFADRO COCC[C@@H](NC(=O)[C@@H]1C[N@@H+]2CCN1CCC2)c1ccc(Cl)c(Cl)c1 ZINC000560797012 564976992 /nfs/dbraw/zinc/97/69/92/564976992.db2.gz JCAQWYPVTFGZPC-SJORKVTESA-N 1 0 386.323 2.577 20 0 GFADRO CN(CC[N@H+](C)C1CCCCC1)C(=O)CCn1cc(Br)ccc1=O ZINC000501410121 564978799 /nfs/dbraw/zinc/97/87/99/564978799.db2.gz LWSCCUULOBEFDA-UHFFFAOYSA-N 1 0 398.345 2.724 20 0 GFADRO CS[C@@H]1CN(C(=O)[C@H](C)Oc2cccc(Br)c2)C[C@H]1[NH+](C)C ZINC000534093239 564979739 /nfs/dbraw/zinc/97/97/39/564979739.db2.gz SHQGLADBXSCQDK-NILFDRSVSA-N 1 0 387.343 2.720 20 0 GFADRO NC(=O)N1CCC([NH2+]Cc2ccc(I)cc2Cl)CC1 ZINC000501445534 564980173 /nfs/dbraw/zinc/98/01/73/564980173.db2.gz RTBDKOXHMOYQLP-UHFFFAOYSA-N 1 0 393.656 2.577 20 0 GFADRO O=C(NCC1=CC[NH2+]CC1)Nc1ccnn1Cc1ccccc1Br ZINC000561016632 564981205 /nfs/dbraw/zinc/98/12/05/564981205.db2.gz PKZVCOGGFCCEPR-UHFFFAOYSA-N 1 0 390.285 2.735 20 0 GFADRO CC(C)[N@@H+](C[C@@H](O)COc1ccc(Cl)cc1Br)C[C@H](C)O ZINC000561054921 564982429 /nfs/dbraw/zinc/98/24/29/564982429.db2.gz LOWMLCMFDYSQIG-WCQYABFASA-N 1 0 380.710 2.933 20 0 GFADRO C[C@H]([NH2+]CCCN1CCCC1=O)c1cc2c(cc1Br)OCCO2 ZINC000561111734 564984995 /nfs/dbraw/zinc/98/49/95/564984995.db2.gz QESTUCMOLGTPMR-LBPRGKRZSA-N 1 0 383.286 2.883 20 0 GFADRO CC(=O)N1CC[C@H](C[N@H+](C)CC[S@@](=O)c2cc(Cl)ccc2Cl)C1 ZINC000534356398 564986731 /nfs/dbraw/zinc/98/67/31/564986731.db2.gz AHCZUUIFDWOUKH-JCQPUDPBSA-N 1 0 377.337 2.901 20 0 GFADRO CO[C@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)NCC1=CC[NH2+]CC1 ZINC000561193885 564987148 /nfs/dbraw/zinc/98/71/48/564987148.db2.gz RZUJEMNSJLTEMB-WBMJQRKESA-N 1 0 382.302 2.744 20 0 GFADRO CS[C@@H]1CN(C(=O)C2(c3cccc(Cl)c3)CCOCC2)C[C@H]1[NH+](C)C ZINC000534828429 564997193 /nfs/dbraw/zinc/99/71/93/564997193.db2.gz VVNHHHNXUWILBE-IAGOWNOFSA-N 1 0 382.957 2.892 20 0 GFADRO C[C@@H](NC(=O)N1CC[N@@H+](C[C@H](C)O)C[C@@H]1C)c1ccc(Br)s1 ZINC000502376572 564997554 /nfs/dbraw/zinc/99/75/54/564997554.db2.gz OOASAGGFIWOTDU-SDDRHHMPSA-N 1 0 390.347 2.668 20 0 GFADRO CN(C[C@H]1CCC[N@H+](C)C1)S(=O)(=O)Cc1cccc(Br)c1 ZINC000561511226 564997685 /nfs/dbraw/zinc/99/76/85/564997685.db2.gz CIKBPSKATFBSDC-AWEZNQCLSA-N 1 0 375.332 2.553 20 0 GFADRO CC[NH+]1CCN(CC(=O)N[C@@H]2c3cccc(Br)c3CC2(C)C)CC1 ZINC000561522896 564998692 /nfs/dbraw/zinc/99/86/92/564998692.db2.gz MVPMLLIIVUQHJH-GOSISDBHSA-N 1 0 394.357 2.826 20 0 GFADRO CS[C@@H]1CN(CC(=O)Nc2ccc(OC(F)(F)F)cc2)C[C@H]1[NH+](C)C ZINC000534951714 565000537 /nfs/dbraw/zinc/00/05/37/565000537.db2.gz INXDODOBWAJBAE-ZIAGYGMSSA-N 1 0 377.432 2.501 20 0 GFADRO CS[C@@H]1CN([C@H](C)C(=O)Nc2ccc(Br)cc2)C[C@@H]1[NH+](C)C ZINC000534954181 565000810 /nfs/dbraw/zinc/00/08/10/565000810.db2.gz DDZIQKVABMXEOO-BYCMXARLSA-N 1 0 386.359 2.754 20 0 GFADRO C[NH+]1CCN(c2ccc(Br)cc2NC(=O)[C@@H]2[C@@H]3CCCO[C@H]23)CC1 ZINC000502546626 565001393 /nfs/dbraw/zinc/00/13/93/565001393.db2.gz PNZQRBZHKMGKCY-XKQJLSEDSA-N 1 0 394.313 2.564 20 0 GFADRO CS(=O)(=O)[C@H]1CCC[N@H+](C[C@H](O)Cc2ccccc2C(F)(F)F)CC1 ZINC000502825913 565006151 /nfs/dbraw/zinc/00/61/51/565006151.db2.gz KJJNHTZOUIUODD-CABCVRRESA-N 1 0 379.444 2.508 20 0 GFADRO CS(=O)(=O)[C@H]1CCC[N@H+](C[C@@H](O)Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000502823088 565006241 /nfs/dbraw/zinc/00/62/41/565006241.db2.gz FABLUPRWCUFSFD-HOTGVXAUSA-N 1 0 379.444 2.508 20 0 GFADRO CC[N@H+](CCNS(=O)(=O)c1cc(Cl)ccc1O[C@H](C)COC)C(C)C ZINC000469129811 565006895 /nfs/dbraw/zinc/00/68/95/565006895.db2.gz ZFCWJBPLEZMHQQ-CQSZACIVSA-N 1 0 392.949 2.762 20 0 GFADRO CN(C)CC[N@H+](C)CCCN(C)S(=O)(=O)c1ccc(C(C)(C)C)s1 ZINC000561724516 565007356 /nfs/dbraw/zinc/00/73/56/565007356.db2.gz MADOVQWTCDIUOA-UHFFFAOYSA-N 1 0 375.604 2.550 20 0 GFADRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000502853932 565007743 /nfs/dbraw/zinc/00/77/43/565007743.db2.gz BOQVUEHXHAFAOX-MFKMUULPSA-N 1 0 377.794 2.802 20 0 GFADRO CC[N@H+](CCNC(=O)N[C@H]1CCN(c2ccc(Br)cc2)C1)C1CC1 ZINC000502935819 565009236 /nfs/dbraw/zinc/00/92/36/565009236.db2.gz VKRSQSAAUZMXQQ-HNNXBMFYSA-N 1 0 395.345 2.811 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)C2(c3ccc(I)cc3)CC2)CC[N@@H+]1C ZINC000503005130 565010667 /nfs/dbraw/zinc/01/06/67/565010667.db2.gz XXKCANMBNYLJCQ-IUODEOHRSA-N 1 0 398.288 2.922 20 0 GFADRO C[NH+](C)CCOc1cnccc1CNC(=O)c1ccc(F)c(Br)c1 ZINC000561850483 565011223 /nfs/dbraw/zinc/01/12/23/565011223.db2.gz CMLZEQNNBZXTNG-UHFFFAOYSA-N 1 0 396.260 2.854 20 0 GFADRO C[NH+](C)CCOc1cnccc1CNC(=O)c1cccc(Br)c1 ZINC000561851630 565011312 /nfs/dbraw/zinc/01/13/12/565011312.db2.gz PFLXYMWBTOHACP-UHFFFAOYSA-N 1 0 378.270 2.715 20 0 GFADRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(S(C)(=O)=O)s2)[C@@H]1Oc1ccccc1 ZINC000469303489 565013287 /nfs/dbraw/zinc/01/32/87/565013287.db2.gz XUCHPJPHMUYICW-JZXOWHBKSA-N 1 0 381.519 2.866 20 0 GFADRO CCOC(=O)COCC[NH2+]C1(c2cccc(Br)c2)CCOCC1 ZINC000562034072 565016198 /nfs/dbraw/zinc/01/61/98/565016198.db2.gz NKNLGUORXCMXEK-UHFFFAOYSA-N 1 0 386.286 2.624 20 0 GFADRO CS[C@@H]1CN(CC(=O)Nc2ccc(Br)c(C)c2)C[C@@H]1[NH+](C)C ZINC000535666306 565017644 /nfs/dbraw/zinc/01/76/44/565017644.db2.gz RFIIATDGOKVIOV-LSDHHAIUSA-N 1 0 386.359 2.673 20 0 GFADRO C[C@@H](CNC(=O)C1(c2ccc(I)cc2)CC1)[N@H+](C)C1CC1 ZINC000503322901 565017875 /nfs/dbraw/zinc/01/78/75/565017875.db2.gz JXFLYTMZLJOXFO-LBPRGKRZSA-N 1 0 398.288 2.922 20 0 GFADRO CC[N@H+](CCOCCO)[C@H](C)C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl ZINC000503403687 565018452 /nfs/dbraw/zinc/01/84/52/565018452.db2.gz DGHJKFYOKSUPEW-QWHCGFSZSA-N 1 0 377.312 2.890 20 0 GFADRO COC(=O)CN(C)C(=O)CC[NH+]1CCC(c2ccc(Br)cc2)CC1 ZINC000503380408 565018619 /nfs/dbraw/zinc/01/86/19/565018619.db2.gz UVEBZYQCPWLSMV-UHFFFAOYSA-N 1 0 397.313 2.650 20 0 GFADRO CC(C)[N@H+](C)C[C@H](C)NC(=O)c1cc(I)ccc1F ZINC000562221103 565020255 /nfs/dbraw/zinc/02/02/55/565020255.db2.gz ZSTCEBURGFGICM-JTQLQIEISA-N 1 0 378.229 2.889 20 0 GFADRO C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)C1(c2ccc(I)cc2)CC1 ZINC000503516742 565021756 /nfs/dbraw/zinc/02/17/56/565021756.db2.gz BQYAGUGJQHZYHW-QWHCGFSZSA-N 1 0 398.288 2.874 20 0 GFADRO C[C@H](CO)[N@@H+](Cc1ccc(I)cc1Cl)C[C@H](C)O ZINC000503564637 565023408 /nfs/dbraw/zinc/02/34/08/565023408.db2.gz CEWFDMUYCWQGMX-ZJUUUORDSA-N 1 0 383.657 2.508 20 0 GFADRO CC1CC[NH+](C2CCC(NC(=O)Cn3cc(Br)cn3)CC2)CC1 ZINC000503553361 565023495 /nfs/dbraw/zinc/02/34/95/565023495.db2.gz AEKIJTFMHSIBDH-UHFFFAOYSA-N 1 0 383.334 2.805 20 0 GFADRO COc1ccc(Br)cc1C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000562334254 565025004 /nfs/dbraw/zinc/02/50/04/565025004.db2.gz QTTYKLDSCPLZJG-UHFFFAOYSA-N 1 0 393.285 3.173 20 0 GFADRO C[C@H]1CN(C(=O)c2cccc(Br)c2F)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000469728738 565025217 /nfs/dbraw/zinc/02/52/17/565025217.db2.gz MQBSDVVRTJIHOG-BBRMVZONSA-N 1 0 398.320 2.686 20 0 GFADRO CC(=O)c1cc(Br)ccc1OCC(=O)NCC(C)(C)C[NH+](C)C ZINC000503674727 565025723 /nfs/dbraw/zinc/02/57/23/565025723.db2.gz VYUWYMAZPFGWQP-UHFFFAOYSA-N 1 0 385.302 2.735 20 0 GFADRO C[C@H](CO)[N@@H+]1CCCN(Cc2nnc(-c3c(Cl)cccc3Cl)o2)CC1 ZINC000469843088 565029640 /nfs/dbraw/zinc/02/96/40/565029640.db2.gz QFGBVFBZDHEHNO-GFCCVEGCSA-N 1 0 385.295 2.932 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S(=O)(=O)CC[NH2+][C@H]1CCC[C@@H](C)C1 ZINC000562462295 565030777 /nfs/dbraw/zinc/03/07/77/565030777.db2.gz HGNZWAMLXXYIQP-CVEARBPZSA-N 1 0 387.567 2.812 20 0 GFADRO C[NH+](C)C1(CNC(=O)N[C@@H](CO)c2ccc(Br)cc2)CCCC1 ZINC000504066162 565033954 /nfs/dbraw/zinc/03/39/54/565033954.db2.gz DIHQTIGBMUYVRC-HNNXBMFYSA-N 1 0 384.318 2.656 20 0 GFADRO C[C@H]1CCC[N@H+](CCNC(=O)N[C@H](CO)c2ccc(Br)cc2)C1 ZINC000504080537 565034891 /nfs/dbraw/zinc/03/48/91/565034891.db2.gz ILHKXCJTOOLEBL-XJKSGUPXSA-N 1 0 384.318 2.514 20 0 GFADRO C[C@@H](O)C[N@@H+]1CCN(C(=O)N[C@@H]2C[C@H]2c2ccc(Cl)cc2Cl)[C@H](C)C1 ZINC000504107781 565035571 /nfs/dbraw/zinc/03/55/71/565035571.db2.gz JTCCSBGVTUXGJP-BKBUGSPTSA-N 1 0 386.323 2.946 20 0 GFADRO C[C@H](CNC(=O)N[C@H](CO)c1ccc(Br)cc1)[NH+]1CCC(C)CC1 ZINC000504259542 565037294 /nfs/dbraw/zinc/03/72/94/565037294.db2.gz INYSTLUDABHXGR-RHSMWYFYSA-N 1 0 398.345 2.902 20 0 GFADRO C[C@H]1C[N@H+](CCCNC(=O)COc2cc(Cl)ccc2Cl)CCCO1 ZINC000470092696 565037967 /nfs/dbraw/zinc/03/79/67/565037967.db2.gz MCIHGWCLLRHDIC-ZDUSSCGKSA-N 1 0 375.296 2.989 20 0 GFADRO O=C(Cc1cccc(I)c1)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000470159998 565039559 /nfs/dbraw/zinc/03/95/59/565039559.db2.gz PSUSJAZTYHRNPI-MRXNPFEDSA-N 1 0 398.288 2.967 20 0 GFADRO C[C@H](Cn1cc(Br)cn1)[NH2+]C[C@@H](Cc1ccccc1Cl)C(N)=O ZINC000470297794 565042124 /nfs/dbraw/zinc/04/21/24/565042124.db2.gz KHOQZKVVRNJIOV-DGCLKSJQSA-N 1 0 399.720 2.621 20 0 GFADRO C[NH+](C)C1(CNC(=O)c2ccc(Br)cc2N)Cc2ccccc2C1 ZINC000470291455 565042499 /nfs/dbraw/zinc/04/24/99/565042499.db2.gz SVWNDYGHVHKFJK-UHFFFAOYSA-N 1 0 388.309 2.860 20 0 GFADRO CC(C)(C)NS(=O)(=O)CC[NH2+][C@H](Cc1ccccc1Cl)[C@H]1CCCO1 ZINC000562779080 565042509 /nfs/dbraw/zinc/04/25/09/565042509.db2.gz WQKDIXNWDKARNF-IAGOWNOFSA-N 1 0 388.961 2.738 20 0 GFADRO Cc1cc(Br)ccc1S(=O)(=O)N1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000562764209 565042685 /nfs/dbraw/zinc/04/26/85/565042685.db2.gz CDLBZSKTEBKCBI-INIZCTEOSA-N 1 0 387.343 2.864 20 0 GFADRO CS[C@H]1CN(c2ncc(C(=O)N3CCCCC3)cc2Cl)C[C@H]1[NH+](C)C ZINC000536629260 565043181 /nfs/dbraw/zinc/04/31/81/565043181.db2.gz WHJXJGFWCCMTHN-CVEARBPZSA-N 1 0 382.961 2.843 20 0 GFADRO [NH3+]Cc1cn([C@H]2CCCN(C(=O)NCc3cc(Cl)sc3Cl)C2)nn1 ZINC000562808238 565043879 /nfs/dbraw/zinc/04/38/79/565043879.db2.gz XHFAGYZDEMCXEU-NSHDSACASA-N 1 0 389.312 2.652 20 0 GFADRO C[C@H]1C[N@H+](C)CCN1c1ccc(Br)cc1NC(=O)[C@H](O)C1CCC1 ZINC000562937114 565048473 /nfs/dbraw/zinc/04/84/73/565048473.db2.gz ZLSWTYDPVCKNKC-YVEFUNNKSA-N 1 0 396.329 2.689 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)c1ccc(Br)cc1N)Cc1ccccc1 ZINC000470595303 565049777 /nfs/dbraw/zinc/04/97/77/565049777.db2.gz SVRLGTQSHYWTSR-HNNXBMFYSA-N 1 0 376.298 2.934 20 0 GFADRO O=C(NCC[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Cl)c1ccccc1 ZINC000562984209 565050614 /nfs/dbraw/zinc/05/06/14/565050614.db2.gz FFLRSIGUFPKNAS-OAHLLOKOSA-N 1 0 383.275 2.753 20 0 GFADRO CCCCN(C)C[C@H](C)[NH2+]CCS(=O)(=O)c1cccc(Br)c1 ZINC000563011437 565052086 /nfs/dbraw/zinc/05/20/86/565052086.db2.gz NKNZEOVQKPFHDS-AWEZNQCLSA-N 1 0 391.375 2.933 20 0 GFADRO C[C@H](OC[C@@H](O)C[NH2+]CC1(CS(C)(=O)=O)CCC1)c1ccc(Cl)cc1 ZINC000563008460 565052113 /nfs/dbraw/zinc/05/21/13/565052113.db2.gz ZFDANXKNPKGDFF-YOEHRIQHSA-N 1 0 389.945 2.583 20 0 GFADRO CN(CC[NH+]1CCCC1)C(=O)Nc1ccc(S(C)(=O)=O)c(C(F)F)c1 ZINC000537228943 565055784 /nfs/dbraw/zinc/05/57/84/565055784.db2.gz CVWWQKJYXHSESS-UHFFFAOYSA-N 1 0 375.441 2.587 20 0 GFADRO [NH3+]CCCN(CC1CCCC1)S(=O)(=O)c1ccc(OC(F)F)c(F)c1 ZINC000563128730 565056355 /nfs/dbraw/zinc/05/63/55/565056355.db2.gz JTFOZONGLXXKTC-UHFFFAOYSA-N 1 0 380.432 2.957 20 0 GFADRO CS[C@@H]1CN(C(=O)c2cnn(C(C)(C)C)c2C(F)(F)F)C[C@H]1[NH+](C)C ZINC000537923898 565064641 /nfs/dbraw/zinc/06/46/41/565064641.db2.gz BGDZZKIBWGKXOV-VXGBXAGGSA-N 1 0 378.464 2.775 20 0 GFADRO CN(C)S(=O)(=O)N1CCC[N@H+](Cc2cc(-c3ccccc3)cs2)CC1 ZINC000584333484 565076305 /nfs/dbraw/zinc/07/63/05/565076305.db2.gz DPQBERGTNLJGLD-UHFFFAOYSA-N 1 0 379.551 2.729 20 0 GFADRO C[C@H](C(=O)N(C)Cc1cccc(Br)c1OCC(C)(C)O)[NH+](C)C ZINC000635840137 565076860 /nfs/dbraw/zinc/07/68/60/565076860.db2.gz PQIJGLKRACGRJE-GFCCVEGCSA-N 1 0 387.318 2.507 20 0 GFADRO COCCOCC[N@H+](C)CCC(=O)Nc1ccc(Br)c(C)c1F ZINC000635868899 565078736 /nfs/dbraw/zinc/07/87/36/565078736.db2.gz HRISIISARAKTOM-UHFFFAOYSA-N 1 0 391.281 2.820 20 0 GFADRO O=S(=O)(Cc1cc(Cl)ccc1Br)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000584412791 565079002 /nfs/dbraw/zinc/07/90/02/565079002.db2.gz ZSBHVDQFSZXDHX-QMTHXVAHSA-N 1 0 393.734 2.616 20 0 GFADRO CC[N@H+]1C[C@@H](C)N(C(=O)[C@H]2CC(=O)Nc3ccc(Br)cc32)[C@@H](C)C1 ZINC000584493207 565083779 /nfs/dbraw/zinc/08/37/79/565083779.db2.gz LIDUHRWJCNMEFI-ZOWXZIJZSA-N 1 0 394.313 2.816 20 0 GFADRO C[N@@H+]1CC[C@H]2[C@H](CCCN2S(=O)(=O)c2cccc3c(Cl)ccnc32)C1 ZINC000584702550 565092269 /nfs/dbraw/zinc/09/22/69/565092269.db2.gz UUQCCUYOPJYBQL-CJNGLKHVSA-N 1 0 379.913 2.993 20 0 GFADRO C[N@@H+]1CCC[C@@H](CCNC(=O)c2cc(=O)c3cc(Br)ccc3[nH]2)C1 ZINC000584705342 565092906 /nfs/dbraw/zinc/09/29/06/565092906.db2.gz JXEKJGKZZSSMKK-LBPRGKRZSA-N 1 0 392.297 2.752 20 0 GFADRO C[NH+](C)C[C@]1(O)CCCN(C(=O)c2c(Cl)cc(F)cc2Br)C1 ZINC000614069953 565094362 /nfs/dbraw/zinc/09/43/62/565094362.db2.gz GGOOWCKNDZBEQW-OAHLLOKOSA-N 1 0 393.684 2.770 20 0 GFADRO CCc1nnc(SCC(=O)N2CCN(Cc3cccc(C)c3)CC2)s1 ZINC000657271559 565094735 /nfs/dbraw/zinc/09/47/35/565094735.db2.gz WFNXJJKUQDEYCK-UHFFFAOYSA-N 1 0 376.551 2.845 20 0 GFADRO Cc1c(Br)cncc1C[NH2+]Cc1ccc(CS(C)(=O)=O)cc1 ZINC000657317615 565095872 /nfs/dbraw/zinc/09/58/72/565095872.db2.gz ZTRJFCKSEHHBLJ-UHFFFAOYSA-N 1 0 383.311 2.987 20 0 GFADRO Cc1cc(S(=O)(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)sc1Br ZINC000584782617 565097476 /nfs/dbraw/zinc/09/74/76/565097476.db2.gz RRAHLIDRRFHFKO-ZDUSSCGKSA-N 1 0 379.345 2.583 20 0 GFADRO COc1cc(Br)c(C(=O)NCC23CCC[NH+]2CCC3)cc1OC ZINC000614224786 565102718 /nfs/dbraw/zinc/10/27/18/565102718.db2.gz ZRBLFQYUVICZQQ-UHFFFAOYSA-N 1 0 383.286 2.825 20 0 GFADRO CO[C@@H](C[NH2+]Cc1nc(-c2ccc(Br)cc2)c[nH]1)[C@@H]1CCOC1 ZINC000657540952 565107491 /nfs/dbraw/zinc/10/74/91/565107491.db2.gz IQJWAVXHVUEHNR-CJNGLKHVSA-N 1 0 380.286 2.980 20 0 GFADRO CO[C@@H](C[NH2+]Cc1cnn(-c2ccc(Br)cc2)c1)[C@@H]1CCOC1 ZINC000657543840 565107774 /nfs/dbraw/zinc/10/77/74/565107774.db2.gz NDOWIGYKOGPLCR-PBHICJAKSA-N 1 0 380.286 2.776 20 0 GFADRO Cc1cc(Br)cc2c(C(=O)NC[C@@H]3C[N@@H+]4CCN3CCC4)coc21 ZINC000614503444 565116099 /nfs/dbraw/zinc/11/60/99/565116099.db2.gz PEJVDTVSJRNUQQ-CQSZACIVSA-N 1 0 392.297 2.623 20 0 GFADRO C[NH+](C)C[C@@H](Cc1ccccc1)NS(=O)(=O)c1cccc(Br)c1 ZINC000614633134 565125309 /nfs/dbraw/zinc/12/53/09/565125309.db2.gz JXKPNYVHLWGWMB-MRXNPFEDSA-N 1 0 397.338 2.900 20 0 GFADRO O=C(NCCCCC[NH+]1CCCCC1)c1cc2ncc(Br)cn2n1 ZINC000636841134 565127666 /nfs/dbraw/zinc/12/76/66/565127666.db2.gz KNZKALSALCQJQS-UHFFFAOYSA-N 1 0 394.317 2.878 20 0 GFADRO OCC1([C@@H]([NH2+]Cc2cc3c(cc2Br)OCO3)[C@H]2CCCO2)CCC1 ZINC000685851941 565127831 /nfs/dbraw/zinc/12/78/31/565127831.db2.gz ULHIVHVMGVIBTA-PBHICJAKSA-N 1 0 398.297 2.978 20 0 GFADRO CNC(=O)C(C)(C)CNC(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000636954528 565131046 /nfs/dbraw/zinc/13/10/46/565131046.db2.gz LASZTMSWQQHYBN-AWEZNQCLSA-N 1 0 389.327 2.668 20 0 GFADRO COCC[N@H+](C)CCCNC(=O)N[C@H]1C[C@H]1c1cccc(Br)c1 ZINC000588280346 565132413 /nfs/dbraw/zinc/13/24/13/565132413.db2.gz CKXHTDQODMSIPW-HOTGVXAUSA-N 1 0 384.318 2.573 20 0 GFADRO CC(C)[C@@H](Cc1ccc(Br)cc1)[NH2+]CC1(C(N)=O)CCOCC1 ZINC000657833989 565132643 /nfs/dbraw/zinc/13/26/43/565132643.db2.gz NTGXBUQHJIHGPD-MRXNPFEDSA-N 1 0 383.330 2.888 20 0 GFADRO CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCO[C@H]1c1cncc(Br)c1 ZINC000614793481 565133626 /nfs/dbraw/zinc/13/36/26/565133626.db2.gz GRUQMQRIDRODGT-BBWFWOEESA-N 1 0 396.329 2.912 20 0 GFADRO C[C@@H]([NH2+]CCC(=O)N1CCN(C)CC1)c1ccc(Br)c(Cl)c1 ZINC000657871243 565135107 /nfs/dbraw/zinc/13/51/07/565135107.db2.gz SXIAUSHXOXCUBM-GFCCVEGCSA-N 1 0 388.737 2.917 20 0 GFADRO CC(C)C[N@H+](C)CCCNC(=O)C(=O)Nc1cccc(Br)c1F ZINC000658042408 565147718 /nfs/dbraw/zinc/14/77/18/565147718.db2.gz CPLIIBZSWZJTMW-UHFFFAOYSA-N 1 0 388.281 2.621 20 0 GFADRO CC(C)n1cc([C@H](C)[NH2+]CCNC(=O)c2ccc(Br)cn2)cn1 ZINC000658091139 565148865 /nfs/dbraw/zinc/14/88/65/565148865.db2.gz AUPXFOKWKYWARC-LBPRGKRZSA-N 1 0 380.290 2.702 20 0 GFADRO O=C(c1ccc(-n2cc(Br)cn2)cc1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000589140681 565152454 /nfs/dbraw/zinc/15/24/54/565152454.db2.gz CBFHDKRJSOMJME-KRWDZBQOSA-N 1 0 389.297 2.945 20 0 GFADRO CC[C@H]([NH2+]C[C@@]1(OCCO)CCOC1)c1cc(F)cc(Br)c1 ZINC000658150406 565153184 /nfs/dbraw/zinc/15/31/84/565153184.db2.gz ZZKPELQTZJESGP-HOTGVXAUSA-N 1 0 376.266 2.797 20 0 GFADRO C[C@@H](Oc1cc(Cl)cc(Cl)c1)C(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000589161139 565153596 /nfs/dbraw/zinc/15/35/96/565153596.db2.gz PJIZNBGEGCKJLY-CQSZACIVSA-N 1 0 388.339 2.905 20 0 GFADRO C[N@@H+]1CCC[C@H]1[C@@H]1COCCN1C(=O)CCc1cc(Br)ccc1F ZINC000615271899 565154009 /nfs/dbraw/zinc/15/40/09/565154009.db2.gz ZLYLQYPSAOJUGE-IRXDYDNUSA-N 1 0 399.304 2.842 20 0 GFADRO Cc1ccc(CC(=O)N2CCOC[C@H]2[C@H]2CCC[N@H+]2C)c(Br)c1 ZINC000615277350 565155005 /nfs/dbraw/zinc/15/50/05/565155005.db2.gz VKRFTRGTDROBBT-SJORKVTESA-N 1 0 381.314 2.622 20 0 GFADRO COCC[NH+]1CCC(NC(=O)Nc2ccc(OC)cc2Br)CC1 ZINC000589206824 565155870 /nfs/dbraw/zinc/15/58/70/565155870.db2.gz USKZYVLPSBNYQP-UHFFFAOYSA-N 1 0 386.290 2.690 20 0 GFADRO Cc1c(Br)cccc1NC(=O)C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000658261443 565156846 /nfs/dbraw/zinc/15/68/46/565156846.db2.gz JKKDWDQLQDTLHK-GFCCVEGCSA-N 1 0 382.302 2.685 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000658262426 565157941 /nfs/dbraw/zinc/15/79/41/565157941.db2.gz URPSQDLAVSDWSM-ZDUSSCGKSA-N 1 0 382.302 2.685 20 0 GFADRO CCCN1CC[C@@H]([NH2+][C@@H]2CCS(=O)(=O)c3ccc(Br)cc32)C1 ZINC000658286192 565159087 /nfs/dbraw/zinc/15/90/87/565159087.db2.gz PYELOEBAUKUFDX-UKRRQHHQSA-N 1 0 387.343 2.742 20 0 GFADRO CCC[N@H+](CC)C[C@@H](C)NS(=O)(=O)c1ccc(Cl)cc1C(=O)OC ZINC000589307973 565159677 /nfs/dbraw/zinc/15/96/77/565159677.db2.gz ZYBZTEVIUONLAL-GFCCVEGCSA-N 1 0 376.906 2.525 20 0 GFADRO CC(C)[C@@H]([NH3+])CCN(C)S(=O)(=O)Cc1cc(F)ccc1Br ZINC000658371635 565162209 /nfs/dbraw/zinc/16/22/09/565162209.db2.gz GBSXNGSRBBAROB-AWEZNQCLSA-N 1 0 381.311 2.723 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCCN(S(=O)(=O)c2cc(Cl)cc(Br)c2)C1 ZINC000658369306 565162847 /nfs/dbraw/zinc/16/28/47/565162847.db2.gz WDBDPOVTWPOKQY-VHSXEESVSA-N 1 0 381.723 2.850 20 0 GFADRO C[S@](=O)c1cccc(C(=O)NCCN2CCc3c(Cl)cccc3C2)c1 ZINC000615481089 565163114 /nfs/dbraw/zinc/16/31/14/565163114.db2.gz FKCNLBOEDZUVFQ-VWLOTQADSA-N 1 0 376.909 2.866 20 0 GFADRO CC1(CNS(=O)(=O)c2cc(Cl)ccc2OC(F)(F)F)CC[NH2+]CC1 ZINC000658376889 565164029 /nfs/dbraw/zinc/16/40/29/565164029.db2.gz IRZNEFONEMQGAN-UHFFFAOYSA-N 1 0 386.823 2.907 20 0 GFADRO C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)N1CC(C[NH+](C)C)C1 ZINC000615512419 565164477 /nfs/dbraw/zinc/16/44/77/565164477.db2.gz PEUVUNMLYPQXJQ-SNVBAGLBSA-N 1 0 375.694 2.890 20 0 GFADRO CCCOc1ccc(Br)cc1S(=O)(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000658378184 565164518 /nfs/dbraw/zinc/16/45/18/565164518.db2.gz NSXOGZWDAIJEBU-AAEUAGOBSA-N 1 0 391.331 2.514 20 0 GFADRO [NH3+][C@H]1CCCO[C@@H]1C1CCN(S(=O)(=O)Cc2cc(F)ccc2Cl)CC1 ZINC000658382478 565165757 /nfs/dbraw/zinc/16/57/57/565165757.db2.gz LZTRDTIUZNIWQH-DLBZAZTESA-N 1 0 390.908 2.527 20 0 GFADRO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCN(S(=O)(=O)Cc3cc(F)ccc3Cl)C2)C1 ZINC000658383489 565165930 /nfs/dbraw/zinc/16/59/30/565165930.db2.gz IRGJDQXRBAOJQR-SRCQZFHVSA-N 1 0 390.908 2.527 20 0 GFADRO Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)N1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000615604099 565167514 /nfs/dbraw/zinc/16/75/14/565167514.db2.gz PVNGEQKDZYPPEC-HNNXBMFYSA-N 1 0 378.826 2.808 20 0 GFADRO C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1cnc3ncc(Br)cc3c1)C2 ZINC000615603807 565168131 /nfs/dbraw/zinc/16/81/31/565168131.db2.gz PMUWNRXISWHUTB-SFHVURJKSA-N 1 0 389.297 2.950 20 0 GFADRO NC(=O)Cc1ccc(C[NH2+]Cc2cc(Br)c3c(c2)OCCO3)cc1 ZINC000589647437 565168643 /nfs/dbraw/zinc/16/86/43/565168643.db2.gz JCNSXHOABDSSOP-UHFFFAOYSA-N 1 0 391.265 2.538 20 0 GFADRO C[C@H](NC(=O)NC[C@](C)(O)C[NH+](C)C)c1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC000637671659 565168781 /nfs/dbraw/zinc/16/87/81/565168781.db2.gz LKUQMQDQSAIXGV-FVMDXXJSSA-N 1 0 388.299 2.543 20 0 GFADRO C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1n[nH]c3ccc(Br)cc31)C2 ZINC000615616912 565169523 /nfs/dbraw/zinc/16/95/23/565169523.db2.gz QSCIIGAPTMSHCX-QGZVFWFLSA-N 1 0 377.286 2.883 20 0 GFADRO CN1C[C@H]2[C@@H](CC[N@@H+]2CCCOc2cccc(I)c2)C1 ZINC000590010607 565175963 /nfs/dbraw/zinc/17/59/63/565175963.db2.gz LPBSLESMBREWCV-BBRMVZONSA-N 1 0 386.277 2.696 20 0 GFADRO O=C(NCc1ccc(Cl)s1)c1nnn(C2CC[NH2+]CC2)c1C(F)F ZINC000637932133 565177135 /nfs/dbraw/zinc/17/71/35/565177135.db2.gz WNHVKNPQKWOILX-UHFFFAOYSA-N 1 0 375.832 2.785 20 0 GFADRO C[C@@H]([NH2+]CC(=O)NCC(=O)OC(C)(C)C)c1ccc(F)c(Br)c1 ZINC000590193861 565180331 /nfs/dbraw/zinc/18/03/31/565180331.db2.gz VSJCTXFUACEYLI-SNVBAGLBSA-N 1 0 389.265 2.697 20 0 GFADRO CO[C@@]1(C[NH+]2CCC(C(=O)Nc3ccc(Br)cc3)CC2)CCOC1 ZINC000637991006 565180441 /nfs/dbraw/zinc/18/04/41/565180441.db2.gz MANHKVAVGCSIFP-GOSISDBHSA-N 1 0 397.313 2.905 20 0 GFADRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)NCc2ccc(Cl)c(Cl)c2)C1 ZINC000658644135 565180993 /nfs/dbraw/zinc/18/09/93/565180993.db2.gz MKRMQQUJIKURCC-XJKSGUPXSA-N 1 0 384.307 2.552 20 0 GFADRO [NH3+]C[C@@]1(C(=O)NCc2cc(Cl)cc(Cl)c2OC(F)F)CCCOC1 ZINC000638028561 565181869 /nfs/dbraw/zinc/18/18/69/565181869.db2.gz HACWTIJPRQVYJP-HNNXBMFYSA-N 1 0 383.222 2.967 20 0 GFADRO O=C(CCC1C[NH2+]C1)NC1CCN(Cc2ccc(Br)cc2)CC1 ZINC000638132583 565186575 /nfs/dbraw/zinc/18/65/75/565186575.db2.gz RHDHFOQINROYIK-UHFFFAOYSA-N 1 0 380.330 2.529 20 0 GFADRO Cc1cc(Br)cc(NC(=O)[C@H](N)C[N@@H+](C)Cc2ccccc2)c1N ZINC000638168566 565187825 /nfs/dbraw/zinc/18/78/25/565187825.db2.gz MGPPBKHCZHNVOK-OAHLLOKOSA-N 1 0 391.313 2.738 20 0 GFADRO Cc1csc(C(=O)N2CC[C@H]([NH+](C)C)[C@H]2C)c1I ZINC000590403688 565188313 /nfs/dbraw/zinc/18/83/13/565188313.db2.gz MLPWWUMUGFOIKA-ZJUUUORDSA-N 1 0 378.279 2.826 20 0 GFADRO COc1ccc(Br)c(CNC(=O)NCC[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000616080739 565189282 /nfs/dbraw/zinc/18/92/82/565189282.db2.gz ZVOFDYCYXMYTBR-CYBMUJFWSA-N 1 0 384.318 2.989 20 0 GFADRO [NH3+]C[C@@]1(C(=O)NCc2ccc(Br)cc2C(F)(F)F)CCCOC1 ZINC000638276863 565190272 /nfs/dbraw/zinc/19/02/72/565190272.db2.gz QLNHLNFLGVZHQU-AWEZNQCLSA-N 1 0 395.219 2.840 20 0 GFADRO CN(C)[C@H](C[NH2+]Cc1cnn2cc(Br)cnc12)Cc1ccccc1 ZINC000638301996 565191069 /nfs/dbraw/zinc/19/10/69/565191069.db2.gz RDPFGFGEPKIVDU-KRWDZBQOSA-N 1 0 388.313 2.754 20 0 GFADRO CC(C)C(=O)NCC[NH2+][C@H]1CCN(C)[C@H](c2ccc(Br)cc2)C1 ZINC000638299271 565191284 /nfs/dbraw/zinc/19/12/84/565191284.db2.gz WVJPDOKEQXLOEX-IRXDYDNUSA-N 1 0 382.346 2.946 20 0 GFADRO CN(C)[C@H](C[NH2+]Cc1cnn2cc(Br)cnc12)c1ccsc1 ZINC000638327012 565192525 /nfs/dbraw/zinc/19/25/25/565192525.db2.gz BQMWHLFTPXMRAN-CQSZACIVSA-N 1 0 380.315 2.946 20 0 GFADRO CC(C)Cc1ncnc(N2CC[C@H]([NH+](C)C)[C@H]2C)c1I ZINC000590568403 565193254 /nfs/dbraw/zinc/19/32/54/565193254.db2.gz DGCIJHADIRCMFN-YPMHNXCESA-N 1 0 388.297 2.809 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+]C[C@H](c2cccc(Cl)c2)N2CCCC2)o1 ZINC000638360453 565193411 /nfs/dbraw/zinc/19/34/11/565193411.db2.gz GWAFZHGWHRVVRQ-MRXNPFEDSA-N 1 0 383.901 2.507 20 0 GFADRO C[C@H]1CC2(CN1C(=O)c1cc(Br)c3nccn3c1)CC[NH2+]CC2 ZINC000638365089 565193823 /nfs/dbraw/zinc/19/38/23/565193823.db2.gz GAXQFQUCIAPOMM-LBPRGKRZSA-N 1 0 377.286 2.701 20 0 GFADRO C[C@@H]1C[C@H](C)N(C(=O)c2ccc3cncc(Br)c3n2)C[C@H]1C[NH3+] ZINC000638356341 565193908 /nfs/dbraw/zinc/19/39/08/565193908.db2.gz HCFNJSHJXBZEGI-NTZNESFSSA-N 1 0 377.286 2.838 20 0 GFADRO [NH3+]Cc1ncc(C(=O)N2CCCC[C@@H]2Cc2cccc(Br)c2)cn1 ZINC000638358620 565193974 /nfs/dbraw/zinc/19/39/74/565193974.db2.gz GXCPDFRNSVXGTE-MRXNPFEDSA-N 1 0 389.297 2.935 20 0 GFADRO O=C(N[C@@H]1CC[NH2+]C2(CCC2)C1)c1ccc2cncc(Br)c2n1 ZINC000638370573 565194262 /nfs/dbraw/zinc/19/42/62/565194262.db2.gz ZZGSRQFUMLCFEL-GFCCVEGCSA-N 1 0 375.270 2.797 20 0 GFADRO C[C@@H]1CCCN(C(=O)c2ccc3cncc(Br)c3n2)[C@H]1CC[NH3+] ZINC000638391272 565194353 /nfs/dbraw/zinc/19/43/53/565194353.db2.gz WICPJQPYOIUQHO-ABAIWWIYSA-N 1 0 377.286 2.982 20 0 GFADRO CO[C@H](C[NH2+]C[C@@H]1CCN(c2ccc(Br)cc2)C1)[C@H]1CCOC1 ZINC000638407835 565195606 /nfs/dbraw/zinc/19/56/06/565195606.db2.gz XWAXLIKYWJIHRE-RLFYNMQTSA-N 1 0 383.330 2.917 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+]CCOc2cccc(C(F)(F)F)c2)s1 ZINC000638398511 565195721 /nfs/dbraw/zinc/19/57/21/565195721.db2.gz CVRGUNZKOIJLFQ-UHFFFAOYSA-N 1 0 380.413 2.583 20 0 GFADRO COc1cc(C(=O)N2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)ccc1Br ZINC000638393659 565195747 /nfs/dbraw/zinc/19/57/47/565195747.db2.gz SRYSSHVTJSENNI-LXZKKBNFSA-N 1 0 397.313 2.959 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+]C[C@H]2CCN(c3ccc(Cl)cc3)C2)cc1 ZINC000638456822 565196556 /nfs/dbraw/zinc/19/65/56/565196556.db2.gz PAFZJOQHKFCYLV-OAHLLOKOSA-N 1 0 379.913 2.604 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)C[NH2+][C@H](C)C[C@H]1CCCC(=O)N1 ZINC000638444615 565196891 /nfs/dbraw/zinc/19/68/91/565196891.db2.gz HIOZNOPWOANZQA-TZMCWYRMSA-N 1 0 382.302 2.733 20 0 GFADRO COc1ccc(CC[NH2+]Cc2cnn3cc(Br)cnc23)c(OC)c1 ZINC000638447936 565197005 /nfs/dbraw/zinc/19/70/05/565197005.db2.gz PWCGZAQJWNPMLD-UHFFFAOYSA-N 1 0 391.269 2.841 20 0 GFADRO O=C(Nc1nnc(CC(F)(F)F)s1)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000659006019 565198116 /nfs/dbraw/zinc/19/81/16/565198116.db2.gz XLYVDLOOOAJFGM-NSHDSACASA-N 1 0 377.436 2.886 20 0 GFADRO COCCOc1c(Cl)cc(NC(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)cc1Cl ZINC000659007319 565198506 /nfs/dbraw/zinc/19/85/06/565198506.db2.gz NVRDSPFNRJYXTB-CHWSQXEVSA-N 1 0 380.247 2.922 20 0 GFADRO O=C(N[C@H]1CC[NH2+]C12CCC2)c1cnn(-c2cccc(Br)c2)c1 ZINC000638503846 565198993 /nfs/dbraw/zinc/19/89/93/565198993.db2.gz UWONJFDHVARGNB-HNNXBMFYSA-N 1 0 375.270 2.649 20 0 GFADRO COC[C@@]1(C(=O)N[C@@H](C)c2cc(F)c(Br)cc2F)CC[NH2+]C1 ZINC000638495405 565199010 /nfs/dbraw/zinc/19/90/10/565199010.db2.gz PAVQHPSWGJYOSO-BJOHPYRUSA-N 1 0 377.229 2.531 20 0 GFADRO O=C(NC[C@@H]1C[NH2+]CCO1)Nc1nnc(-c2cc(Cl)cc(Cl)c2)s1 ZINC000659031952 565199313 /nfs/dbraw/zinc/19/93/13/565199313.db2.gz YFOKKPXNQTWHAX-NSHDSACASA-N 1 0 388.280 2.622 20 0 GFADRO Cc1nccc(NC(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)c1Br ZINC000659010244 565199778 /nfs/dbraw/zinc/19/97/78/565199778.db2.gz KGAYMUXQELILKY-GDBMZVCRSA-N 1 0 389.297 2.842 20 0 GFADRO COc1ccc(Br)c(C(=O)NCCC[NH2+]Cc2ccns2)c1 ZINC000638523996 565200800 /nfs/dbraw/zinc/20/08/00/565200800.db2.gz LMBSYEFIFIYWID-UHFFFAOYSA-N 1 0 384.299 2.824 20 0 GFADRO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)Nc1cc(F)ccc1SCC(F)F ZINC000659106658 565201459 /nfs/dbraw/zinc/20/14/59/565201459.db2.gz AUXMOCIJUIZHJE-LLVKDONJSA-N 1 0 377.432 2.611 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)Cc2ccccc2Br)CC[C@H]1C(F)(F)F ZINC000638547269 565201665 /nfs/dbraw/zinc/20/16/65/565201665.db2.gz AJZHKZXVNKWISL-NWDGAFQWSA-N 1 0 379.220 2.977 20 0 GFADRO CCOc1c(Cl)cc(NC(=O)C(=O)NCC[C@@H]([NH3+])C(C)C)cc1Cl ZINC000659107064 565201792 /nfs/dbraw/zinc/20/17/92/565201792.db2.gz ZIVMJBXEDXZWNA-CYBMUJFWSA-N 1 0 376.284 2.820 20 0 GFADRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)CCc1nc(-c2cc(Br)cs2)no1 ZINC000638569807 565202666 /nfs/dbraw/zinc/20/26/66/565202666.db2.gz NWFKTVPFPQTANG-WDEREUQCSA-N 1 0 399.314 2.750 20 0 GFADRO C[NH2+]CCOCCNC(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1 ZINC000638581300 565203227 /nfs/dbraw/zinc/20/32/27/565203227.db2.gz AIIYQHMBUBROPH-UHFFFAOYSA-N 1 0 381.885 2.620 20 0 GFADRO CN(Cc1ccccc1Br)C(=O)CC[NH2+]C1CC(n2cccn2)C1 ZINC000638596844 565204478 /nfs/dbraw/zinc/20/44/78/565204478.db2.gz QIBVORVXZNZIGT-UHFFFAOYSA-N 1 0 391.313 2.987 20 0 GFADRO [NH3+]C[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC000638594988 565204538 /nfs/dbraw/zinc/20/45/38/565204538.db2.gz CXRZALKHUKOPMZ-RCBQFDQVSA-N 1 0 392.297 2.788 20 0 GFADRO [NH3+]CCCOCCNC(=O)CCc1nc2cc(C(F)(F)F)ccc2s1 ZINC000638659975 565205253 /nfs/dbraw/zinc/20/52/53/565205253.db2.gz MUSSLIUQJLIYJN-UHFFFAOYSA-N 1 0 375.416 2.729 20 0 GFADRO [NH3+]CC1(NC(=O)COc2ccc3cc(Br)ccc3c2)CCOCC1 ZINC000638636501 565206070 /nfs/dbraw/zinc/20/60/70/565206070.db2.gz BLLXRZDSERLYAI-UHFFFAOYSA-N 1 0 393.281 2.605 20 0 GFADRO [NH3+]CCn1cc(C(=O)NC2(c3cccc(Br)c3)CCCCC2)nn1 ZINC000659278744 565209882 /nfs/dbraw/zinc/20/98/82/565209882.db2.gz SJNKHPTYXRRLSN-UHFFFAOYSA-N 1 0 392.301 2.589 20 0 GFADRO CC(C)O[C@H](C[NH2+]C[C@@H](O)CS(=O)(=O)c1cccs1)c1ccccc1 ZINC000638774016 565210453 /nfs/dbraw/zinc/21/04/53/565210453.db2.gz VXDDGCKPPOIIJP-IAGOWNOFSA-N 1 0 383.535 2.639 20 0 GFADRO Brc1cnc2c(C[NH2+][C@@H]3[C@@H]4CCO[C@@H]4C34CCCC4)cnn2c1 ZINC000638791298 565211343 /nfs/dbraw/zinc/21/13/43/565211343.db2.gz KCJCMXXJRYOTAO-ZNMIVQPWSA-N 1 0 377.286 2.929 20 0 GFADRO CCO[C@@H]1C[C@]([NH3+])(C(=O)N[C@@H]2[C@H]3Cc4c(cccc4Br)[C@@H]23)C1(C)C ZINC000638831525 565213930 /nfs/dbraw/zinc/21/39/30/565213930.db2.gz MANUCHWTSUEUNP-UWTXTQQISA-N 1 0 393.325 2.736 20 0 GFADRO O=C([C@@H]1C[C@@]12CC[NH2+]C2)N1CC2(CCOCC2)c2ccc(Br)cc21 ZINC000638842101 565214170 /nfs/dbraw/zinc/21/41/70/565214170.db2.gz LRMYEXWLRKIOSD-HNAYVOBHSA-N 1 0 391.309 2.844 20 0 GFADRO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)c2cncc(Br)c2)cc1 ZINC000659352333 565214197 /nfs/dbraw/zinc/21/41/97/565214197.db2.gz HKVDWGADRPOEBO-IRXDYDNUSA-N 1 0 390.281 2.728 20 0 GFADRO O=C([C@@H]1C[C@]12CCC[NH2+]C2)N1CCOC[C@@H]1c1ccc(Br)cc1 ZINC000659357996 565214358 /nfs/dbraw/zinc/21/43/58/565214358.db2.gz FHEZKIHOTYBHCF-JZXOWHBKSA-N 1 0 379.298 2.739 20 0 GFADRO COc1ncc(C(=O)Nc2ccc([C@H]3C[NH2+]CCO3)cc2)cc1Br ZINC000659366307 565215540 /nfs/dbraw/zinc/21/55/40/565215540.db2.gz JCMDBYDQYZLPDL-OAHLLOKOSA-N 1 0 392.253 2.766 20 0 GFADRO CC1(C(=O)N2CCc3cc(Br)c(Br)cc3C2)C[NH2+]C1 ZINC000659381147 565215966 /nfs/dbraw/zinc/21/59/66/565215966.db2.gz FFCGKPHOQFDNCQ-UHFFFAOYSA-N 1 0 388.103 2.706 20 0 GFADRO C[C@@H](CNC(=O)NCC12CC(C1)C[NH2+]2)Sc1ccc(Br)cc1 ZINC000659452281 565218017 /nfs/dbraw/zinc/21/80/17/565218017.db2.gz ONYSWIZVUNUQCO-FZWSLVFFSA-N 1 0 384.343 2.981 20 0 GFADRO CN(CC(C)(C)[NH3+])C(=O)NC1CCN(Cc2ccc(Br)cc2)CC1 ZINC000659469582 565218123 /nfs/dbraw/zinc/21/81/23/565218123.db2.gz OLEIQQQGDWDGCB-UHFFFAOYSA-N 1 0 397.361 2.792 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H](NC(=O)N2CCN(c3ccc(Br)cc3)CC2)C1 ZINC000659534983 565218892 /nfs/dbraw/zinc/21/88/92/565218892.db2.gz CIWQUBOUAOIVTR-HUUCEWRRSA-N 1 0 381.318 2.551 20 0 GFADRO C[C@@H](NC(=O)N1CCN(c2ccc(Br)cc2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000659513270 565219047 /nfs/dbraw/zinc/21/90/47/565219047.db2.gz XKFOCHIIBXXIEF-HUUCEWRRSA-N 1 0 395.345 2.669 20 0 GFADRO C[NH+](C)CCOc1ccc(CCNC(=O)c2coc(Br)c2)cc1 ZINC000591242945 565220174 /nfs/dbraw/zinc/22/01/74/565220174.db2.gz JRSFZKLZVQQBBN-UHFFFAOYSA-N 1 0 381.270 2.955 20 0 GFADRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N1CCOC[C@H]1c1ccc(Br)cc1 ZINC000659538459 565220526 /nfs/dbraw/zinc/22/05/26/565220526.db2.gz OCNILPFKXJRSIB-KCXAZCMYSA-N 1 0 382.302 2.530 20 0 GFADRO C[C@@H](CNC(=O)[C@H]([NH3+])c1cccc(Cl)c1)c1ccc(S(C)(=O)=O)cc1 ZINC000639017980 565220938 /nfs/dbraw/zinc/22/09/38/565220938.db2.gz RMAUBMUNZMFHTB-YVEFUNNKSA-N 1 0 380.897 2.663 20 0 GFADRO COC(=O)[C@H]1CSCC[N@H+](Cc2cnn(Cc3ccccc3Cl)c2)C1 ZINC000591267154 565220929 /nfs/dbraw/zinc/22/09/29/565220929.db2.gz RKHXNYQWIHYQAQ-MRXNPFEDSA-N 1 0 379.913 2.923 20 0 GFADRO COC(=O)c1cc(NC(=O)N2C[C@@H](C)[NH2+]C[C@H]2C)c(Br)cc1F ZINC000591287244 565221127 /nfs/dbraw/zinc/22/11/27/565221127.db2.gz GPBNKOYISNSSBA-RKDXNWHRSA-N 1 0 388.237 2.589 20 0 GFADRO C[NH2+]C[C@H](C)NC(=O)N1CCN(c2ccc(C(F)(F)F)cc2Cl)CC1 ZINC000659633449 565221475 /nfs/dbraw/zinc/22/14/75/565221475.db2.gz CPRKVQYHMGFLFS-NSHDSACASA-N 1 0 378.826 2.798 20 0 GFADRO COc1ccc(NC(=O)NC[C@H]2CCCC[NH2+]2)c(I)c1 ZINC000591302030 565222942 /nfs/dbraw/zinc/22/29/42/565222942.db2.gz BOCPQFAWTFQOBN-SNVBAGLBSA-N 1 0 389.237 2.563 20 0 GFADRO COC(=O)c1cc(NC(=O)NC[C@@H]2CCCC[NH2+]2)c(C)cc1Br ZINC000591306846 565223538 /nfs/dbraw/zinc/22/35/38/565223538.db2.gz KVZLZZSUVDIQCT-NSHDSACASA-N 1 0 384.274 2.808 20 0 GFADRO COc1cc(C[C@H](C)[NH2+][C@H](C(N)=O)c2cccc(Br)c2)ccn1 ZINC000639123081 565227483 /nfs/dbraw/zinc/22/74/83/565227483.db2.gz IDOSCLQWIZLUDV-ZBEGNZNMSA-N 1 0 378.270 2.600 20 0 GFADRO C[C@@H]1OCC[C@]1(O)C[NH2+][C@H]1CCN(C)[C@@H](c2ccc(Br)cc2)C1 ZINC000639116198 565227586 /nfs/dbraw/zinc/22/75/86/565227586.db2.gz STIUDMXXPIOYMY-RUGDWHBFSA-N 1 0 383.330 2.714 20 0 GFADRO CCC[NH2+]CCNC(=O)N1CCc2[nH]c3c(cccc3Br)c2C1 ZINC000639147527 565228514 /nfs/dbraw/zinc/22/85/14/565228514.db2.gz PJIVCYGXLCHOAQ-UHFFFAOYSA-N 1 0 379.302 2.998 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+][C@H](CCO)c2ccc(Cl)c(Cl)c2)cc1 ZINC000639161825 565229990 /nfs/dbraw/zinc/22/99/90/565229990.db2.gz NDIWOCZLWWNFRQ-MRXNPFEDSA-N 1 0 389.304 2.854 20 0 GFADRO CN(CCC[N@H+](C)Cc1ccc(S(N)(=O)=O)c(Cl)c1)Cc1ccco1 ZINC000639166385 565230186 /nfs/dbraw/zinc/23/01/86/565230186.db2.gz JEBQHXCMRRHUHJ-UHFFFAOYSA-N 1 0 385.917 2.534 20 0 GFADRO C[N@@H+]1CCC[C@H](CNS(=O)(=O)c2ccc(N)cc2F)[C@@H]1c1cccs1 ZINC000659914172 565230698 /nfs/dbraw/zinc/23/06/98/565230698.db2.gz IINUUZMHVBADTL-SJKOYZFVSA-N 1 0 383.514 2.831 20 0 GFADRO CC[C@@H](CC(F)F)C[NH+]1CCC(N(CC(F)(F)F)S(C)(=O)=O)CC1 ZINC000659927087 565232073 /nfs/dbraw/zinc/23/20/73/565232073.db2.gz OVFMCKBBRLKGCJ-NSHDSACASA-N 1 0 380.423 2.956 20 0 GFADRO CO[C@@]1(C[NH2+][C@@H](C)c2ccc(Br)cc2OCCCO)CCOC1 ZINC000639197689 565232224 /nfs/dbraw/zinc/23/22/24/565232224.db2.gz LEKOGKDJRIXLND-SUMWQHHRSA-N 1 0 388.302 2.666 20 0 GFADRO NS(=O)(=O)c1ccc(C[N@@H+]2CC[C@H](Cc3ccc(Br)cc3)C2)o1 ZINC000639207274 565233122 /nfs/dbraw/zinc/23/31/22/565233122.db2.gz NVNBMTSTDXCIIZ-CYBMUJFWSA-N 1 0 399.310 2.754 20 0 GFADRO Brc1cnc2c(C[NH2+][C@H]3CCO[C@H](c4ccncc4)C3)cnn2c1 ZINC000639232291 565233477 /nfs/dbraw/zinc/23/34/77/565233477.db2.gz GFEXGIZHLAQKMX-HOTGVXAUSA-N 1 0 388.269 2.897 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)CCCS(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000617343694 565233810 /nfs/dbraw/zinc/23/38/10/565233810.db2.gz XGWYUDXFACFTSG-OAHLLOKOSA-N 1 0 386.945 2.883 20 0 GFADRO Cc1cc(I)ccc1NC(=O)[C@@H]1C[NH2+]CCC1(F)F ZINC000591672548 565235248 /nfs/dbraw/zinc/23/52/48/565235248.db2.gz FLMLEWYVGHGQFN-JTQLQIEISA-N 1 0 380.176 2.783 20 0 GFADRO CC1(C)C[NH2+][C@@H]1C(=O)NCc1ccc(I)c(Cl)c1 ZINC000591685872 565235907 /nfs/dbraw/zinc/23/59/07/565235907.db2.gz XTRJDFOQBIZLFO-LLVKDONJSA-N 1 0 378.641 2.559 20 0 GFADRO CO[C@@H](C)c1nc(CN2CCC[N@H+](CCO[C@@H]3CC3(F)F)CC2)cs1 ZINC000659993746 565235740 /nfs/dbraw/zinc/23/57/40/565235740.db2.gz NANOPCRGYQECQQ-DZGCQCFKSA-N 1 0 375.485 2.782 20 0 GFADRO CN1CC[C@H]([NH2+][C@H](CO)[C@@H]2CCCOC2)C[C@H]1c1ccc(Br)cc1 ZINC000639268084 565236311 /nfs/dbraw/zinc/23/63/11/565236311.db2.gz UZMWSHNHJLDCCF-LULLPPNCSA-N 1 0 397.357 2.962 20 0 GFADRO C[NH+](C)C[C@H]1CCCCN1S(=O)(=O)c1ccc(OCC(F)(F)F)cc1 ZINC000660009938 565237875 /nfs/dbraw/zinc/23/78/75/565237875.db2.gz DGYBOQYIUYKDTH-CYBMUJFWSA-N 1 0 380.432 2.733 20 0 GFADRO C[N@@H+]1CCC[C@H]2CN(CC(=O)c3c[nH]c4ncc(Br)cc34)CC[C@H]21 ZINC000660013418 565238828 /nfs/dbraw/zinc/23/88/28/565238828.db2.gz XKONMROJXOUSOF-BLLLJJGKSA-N 1 0 391.313 2.924 20 0 GFADRO COc1nsc(C[NH2+][C@H](CO)[C@@H]2CCC[C@@H](OC)C2)c1Br ZINC000639306733 565238827 /nfs/dbraw/zinc/23/88/27/565238827.db2.gz IFKUUEIWVBMFIB-GMTAPVOTSA-N 1 0 379.320 2.570 20 0 GFADRO C[C@@H](c1ccccc1)[C@H](O)C[NH2+]Cc1cnn2cc(Br)cnc12 ZINC000639328406 565239489 /nfs/dbraw/zinc/23/94/89/565239489.db2.gz WSPQLFMHNFGJDD-BLLLJJGKSA-N 1 0 375.270 2.746 20 0 GFADRO Nc1c(Cl)cc(Cl)cc1C[NH2+]C[C@@H]1CN(Cc2ccncc2)CCO1 ZINC000639354800 565241116 /nfs/dbraw/zinc/24/11/16/565241116.db2.gz OWTCZLIGMKUSKP-MRXNPFEDSA-N 1 0 381.307 2.961 20 0 GFADRO C[C@](CO)(Cc1ccccc1F)[NH2+]Cc1cnn2cc(Br)cnc12 ZINC000639388283 565243915 /nfs/dbraw/zinc/24/39/15/565243915.db2.gz WXMUQAMKKQIECF-QGZVFWFLSA-N 1 0 393.260 2.714 20 0 GFADRO O=C(Cc1ccc(I)cc1)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000591892245 565244091 /nfs/dbraw/zinc/24/40/91/565244091.db2.gz HOUKJWQQNVQHNB-GOEBONIOSA-N 1 0 398.288 2.824 20 0 GFADRO CN(Cc1nnc2ccccn21)C[C@H](O)COc1cc(Cl)cc(Cl)c1 ZINC000639514461 565248035 /nfs/dbraw/zinc/24/80/35/565248035.db2.gz OVIDSEQYZAORNH-AWEZNQCLSA-N 1 0 381.263 2.908 20 0 GFADRO Brc1ccc(C2([NH2+]C[C@@H]3CCc4ncnn43)CCOCC2)cc1 ZINC000639523134 565249000 /nfs/dbraw/zinc/24/90/00/565249000.db2.gz VSVYWTGGNCTJRX-HNNXBMFYSA-N 1 0 377.286 2.823 20 0 GFADRO C[C@@](O)(C[C@@H](O)C[NH2+]C1(c2ccc(Br)cc2)CCOCC1)C1CC1 ZINC000639522805 565249335 /nfs/dbraw/zinc/24/93/35/565249335.db2.gz PQOHDTDSKFERIG-QZTJIDSGSA-N 1 0 398.341 2.956 20 0 GFADRO C[C@H]1CN(C[C@H](O)COc2cc(Cl)cc(Cl)c2)CC[N@@H+]1CC(C)(C)O ZINC000639602012 565250496 /nfs/dbraw/zinc/25/04/96/565250496.db2.gz MUVWAZNCSXLRBW-BBRMVZONSA-N 1 0 391.339 2.510 20 0 GFADRO COCC[N@@H+]1CCC[C@@H](NC(=O)[C@H](C)Oc2ccc(C)cc2Br)C1 ZINC000592098893 565254991 /nfs/dbraw/zinc/25/49/91/565254991.db2.gz ZKMLJIGQVDAHSH-LSDHHAIUSA-N 1 0 399.329 2.752 20 0 GFADRO COCC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(Br)cc2Cl)C1 ZINC000592092655 565256198 /nfs/dbraw/zinc/25/61/98/565256198.db2.gz BCRRINPZIKFMAG-GFCCVEGCSA-N 1 0 375.694 2.943 20 0 GFADRO C[C@H](CCNC(=O)[C@@H](c1ccc(Cl)cc1Cl)N1CCOCC1)[NH+](C)C ZINC000617753391 565257142 /nfs/dbraw/zinc/25/71/42/565257142.db2.gz BKANYBNWSNJAJY-CXAGYDPISA-N 1 0 388.339 2.823 20 0 GFADRO CN(CCC[NH+](C)C)CCNC(=O)c1cc2c(cncc2Br)s1 ZINC000617763096 565257209 /nfs/dbraw/zinc/25/72/09/565257209.db2.gz FDLLOLASOXBCMI-UHFFFAOYSA-N 1 0 399.358 2.672 20 0 GFADRO NC(=O)c1ccc(C[N@@H+]2CC[C@@H](Oc3cncc(Br)c3)C2)cc1 ZINC000639772239 565259560 /nfs/dbraw/zinc/25/95/60/565259560.db2.gz IMPPNHFZCJEYSQ-OAHLLOKOSA-N 1 0 376.254 2.596 20 0 GFADRO Cn1ccnc1[C@@H]([NH2+]CCOc1ccccc1Br)C(C)(C)CO ZINC000639773024 565259591 /nfs/dbraw/zinc/25/95/91/565259591.db2.gz RSGRLYNFRADYBO-OAHLLOKOSA-N 1 0 382.302 2.911 20 0 GFADRO CO[C@@H]1CCC[C@H]([C@@H](CO)[NH2+]C[C@H](O)COc2cc(Cl)cc(Cl)c2)C1 ZINC000639784568 565262222 /nfs/dbraw/zinc/26/22/22/565262222.db2.gz JEGYBGQGLDAUIU-BWUSGFMJSA-N 1 0 392.323 2.889 20 0 GFADRO COC(=O)[C@H]1C[C@@H](O)C[N@H+](CCSc2ccnc3cc(Cl)ccc32)C1 ZINC000592203950 565262426 /nfs/dbraw/zinc/26/24/26/565262426.db2.gz IBUVCRHFFIMVEI-GXTWGEPZSA-N 1 0 380.897 2.836 20 0 GFADRO CC(C)(C)n1nnc(CC[NH2+]C(C)(C)COc2ncccc2Br)n1 ZINC000660163737 565262934 /nfs/dbraw/zinc/26/29/34/565262934.db2.gz JGWMNYWIZOGLIF-UHFFFAOYSA-N 1 0 397.321 2.575 20 0 GFADRO O=S(=O)(NC[C@@H]1CCC[N@H+](CC2CC2)C1)c1cnccc1C(F)(F)F ZINC000660177840 565264179 /nfs/dbraw/zinc/26/41/79/565264179.db2.gz BGXHCDJXUMXEDR-ZDUSSCGKSA-N 1 0 377.432 2.501 20 0 GFADRO CO[C@@H]1CS(=O)(=O)C[C@@H]1N[C@@H](C)c1sc(-c2ccc(F)cc2)nc1C ZINC000660266044 565268432 /nfs/dbraw/zinc/26/84/32/565268432.db2.gz MTCTZRNTSZLHKK-NZVBXONLSA-N 1 0 384.498 2.720 20 0 GFADRO C[N@@H+](Cc1ccc(Br)cc1F)C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000639921446 565269113 /nfs/dbraw/zinc/26/91/13/565269113.db2.gz OHYZNGKPWYPJSH-GFCCVEGCSA-N 1 0 393.322 2.692 20 0 GFADRO CC[C@H]1CN(C(=O)c2cc(F)c(F)cc2I)CC[C@H]1[NH3+] ZINC000592332893 565270337 /nfs/dbraw/zinc/27/03/37/565270337.db2.gz RDCJGJQHBGTKED-ISVAXAHUSA-N 1 0 394.203 2.769 20 0 GFADRO O=C(NCC1CC[NH+](Cc2ccncc2)CC1)c1nscc1Br ZINC000617974280 565270335 /nfs/dbraw/zinc/27/03/35/565270335.db2.gz HPZILLAMTITYRB-UHFFFAOYSA-N 1 0 395.326 2.943 20 0 GFADRO Cc1ncc(CC(=O)N(CC[NH+](C)C)Cc2ccc(Br)cc2)o1 ZINC000639986133 565273177 /nfs/dbraw/zinc/27/31/77/565273177.db2.gz OUICFWQXIHLAJF-UHFFFAOYSA-N 1 0 380.286 2.878 20 0 GFADRO CN1CC(=O)N(CC[N@@H+](Cc2cccc(Br)c2)CC2CC2)C1=O ZINC000660393853 565273334 /nfs/dbraw/zinc/27/33/34/565273334.db2.gz RABDRUJGYZEMOB-UHFFFAOYSA-N 1 0 380.286 2.555 20 0 GFADRO C[C@H](CCc1ccc(I)cc1)CC(=O)N1CC[C@@H]([NH3+])C1 ZINC000592446315 565276310 /nfs/dbraw/zinc/27/63/10/565276310.db2.gz IXMYKPGZLAFLKR-IUODEOHRSA-N 1 0 386.277 2.810 20 0 GFADRO Cc1nccc(NC(=O)Nc2cnn(C3CC[NH+](C)CC3)c2)c1Br ZINC000640042988 565276479 /nfs/dbraw/zinc/27/64/79/565276479.db2.gz RZOLMGXXUWWHIK-UHFFFAOYSA-N 1 0 393.289 2.682 20 0 GFADRO CCc1nc(C(=O)N(C)CC2C[NH+](C)C2)nn1-c1c(Cl)cccc1Cl ZINC000618195017 565279537 /nfs/dbraw/zinc/27/95/37/565279537.db2.gz ROTRDNVKLQOSTK-UHFFFAOYSA-N 1 0 382.295 2.770 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)c(C)c1C(=O)N(C)CC1C[NH+](C)C1 ZINC000618195497 565279927 /nfs/dbraw/zinc/27/99/27/565279927.db2.gz LNUKSOCGBARHTA-UHFFFAOYSA-N 1 0 391.313 2.885 20 0 GFADRO CN(Cc1coc(S(N)(=O)=O)c1)Cc1ccc(OCC(F)(F)F)cc1 ZINC000660533301 565281101 /nfs/dbraw/zinc/28/11/01/565281101.db2.gz IKSFREXEGFJWAZ-UHFFFAOYSA-N 1 0 378.372 2.500 20 0 GFADRO COC(=O)[C@H]1C[NH2+]CCCN1C(=O)c1ccc2cc(Br)ccc2c1 ZINC000592557507 565281945 /nfs/dbraw/zinc/28/19/45/565281945.db2.gz YVXBOUCGEIVTFD-MRXNPFEDSA-N 1 0 391.265 2.579 20 0 GFADRO COc1cccc(SCC[N@@H+]2CCC[C@H](CNS(=O)(=O)C3CC3)C2)c1 ZINC000660556108 565283340 /nfs/dbraw/zinc/28/33/40/565283340.db2.gz FNMZEVCCPARBLM-OAHLLOKOSA-N 1 0 384.567 2.581 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)N1CCOc2cc(Br)ccc2C1 ZINC000660571647 565284570 /nfs/dbraw/zinc/28/45/70/565284570.db2.gz ONQUVAPEBSDJNG-CVEARBPZSA-N 1 0 394.313 2.980 20 0 GFADRO CSC1(CNC(=O)C[C@H](C)n2cc(Br)cn2)CC[NH+](C)CC1 ZINC000592633042 565286270 /nfs/dbraw/zinc/28/62/70/565286270.db2.gz RDALWQWFFNOSNN-LBPRGKRZSA-N 1 0 389.363 2.540 20 0 GFADRO C[N@@H+]1CC[C@]2(C1)CCCN(C[C@@H](O)COc1ccc(Br)cc1)C2 ZINC000660651805 565286398 /nfs/dbraw/zinc/28/63/98/565286398.db2.gz CKQZVEPYZCPRRJ-AEFFLSMTSA-N 1 0 383.330 2.607 20 0 GFADRO CC(C)C[NH2+]C1(CO)CCN(Cc2nc3cc(Br)ccc3[nH]2)CC1 ZINC000660698582 565289211 /nfs/dbraw/zinc/28/92/11/565289211.db2.gz RBIJPZNVMNKPJC-UHFFFAOYSA-N 1 0 395.345 2.898 20 0 GFADRO CC[NH+]1CCN(CCC(=O)N(C)[C@H](CO)c2cccc(Cl)c2Cl)CC1 ZINC000618340737 565290607 /nfs/dbraw/zinc/29/06/07/565290607.db2.gz UIEOGMVYTZRIKV-MRXNPFEDSA-N 1 0 388.339 2.513 20 0 GFADRO CN1CCC([N@@H+]2CC[C@H](NC(=O)NCc3cc(Cl)cc(Cl)c3)C2)CC1 ZINC000660709800 565290591 /nfs/dbraw/zinc/29/05/91/565290591.db2.gz BGFPXQYIVIWUKT-INIZCTEOSA-N 1 0 385.339 2.961 20 0 GFADRO CCCN(C(=O)c1csc(I)c1)[C@@H]1CC[N@H+](C)C1 ZINC000592832624 565299566 /nfs/dbraw/zinc/29/95/66/565299566.db2.gz UOWXVHIEAXRWMD-LLVKDONJSA-N 1 0 378.279 2.909 20 0 GFADRO CCCN(C(=O)c1cc(I)ccc1F)[C@@H]1CC[N@H+](C)C1 ZINC000592828091 565300137 /nfs/dbraw/zinc/30/01/37/565300137.db2.gz BKHIXUJKTVZGLR-GFCCVEGCSA-N 1 0 390.240 2.987 20 0 GFADRO Cc1cc(C)c(CNC(=O)Nc2nnc(C(F)(F)C(F)(F)F)s2)cn1 ZINC000640386073 565305719 /nfs/dbraw/zinc/30/57/19/565305719.db2.gz AYTQCNRXVRIRAN-UHFFFAOYSA-N 1 0 381.330 3.526 20 0 GFADRO COC[C@@H]([NH2+]C[C@H](O)COc1c(Cl)cccc1Cl)C1CCOCC1 ZINC000661160300 565311110 /nfs/dbraw/zinc/31/11/10/565311110.db2.gz KGRSLUUPWFIWON-XJKSGUPXSA-N 1 0 378.296 2.764 20 0 GFADRO CO[C@@H]1CCC[C@H]([C@@H](CO)[NH2+]CC(=O)Nc2ccc(Br)cc2C)C1 ZINC000661215172 565314226 /nfs/dbraw/zinc/31/42/26/565314226.db2.gz BQZHBBASEPYUDS-YSVLISHTSA-N 1 0 399.329 2.852 20 0 GFADRO CC[C@H](Cc1ccc(Br)cc1)NC(=O)NCC[N@@H+]1CCCOCC1 ZINC000661237105 565314714 /nfs/dbraw/zinc/31/47/14/565314714.db2.gz FJZATOIOWHFWPN-QGZVFWFLSA-N 1 0 398.345 2.792 20 0 GFADRO CCC(C)(C)[C@H](C)[NH2+]CC(=O)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 ZINC000661235514 565315278 /nfs/dbraw/zinc/31/52/78/565315278.db2.gz OHLWWNRHQRMJPC-LSDHHAIUSA-N 1 0 386.583 2.678 20 0 GFADRO O[C@@H](COC[C@H]1CCCO1)C[NH+]1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000661376628 565321295 /nfs/dbraw/zinc/32/12/95/565321295.db2.gz FIKXFTHAUWLTNS-HZPDHXFCSA-N 1 0 389.323 2.672 20 0 GFADRO [NH3+]CCCCc1cn(CC(=O)Nc2ccc(Cl)cc2C(F)(F)F)nn1 ZINC000640762188 565325791 /nfs/dbraw/zinc/32/57/91/565325791.db2.gz NREMRALXNQJWOX-UHFFFAOYSA-N 1 0 375.782 2.870 20 0 GFADRO C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)n1cc([C@H]([NH3+])[C@H]2CCCO2)nn1 ZINC000640781175 565326705 /nfs/dbraw/zinc/32/67/05/565326705.db2.gz FQFZHBAYHUJZTK-ZWZTZDBGSA-N 1 0 384.267 2.963 20 0 GFADRO C[C@H](NC(=O)C[N@@H+]1CC[C@H]2NC(=O)CC[C@@H]2C1)c1ccc(Cl)c(Cl)c1 ZINC000661601710 565330580 /nfs/dbraw/zinc/33/05/80/565330580.db2.gz DWTXCWJSKKTVPS-NORZTCDRSA-N 1 0 384.307 2.771 20 0 GFADRO CCCN(CCC)C(=O)Cn1cc([C@H]([NH3+])c2ccc(Br)cc2)nn1 ZINC000640862946 565332591 /nfs/dbraw/zinc/33/25/91/565332591.db2.gz FMTIYHWLOUJLHE-QGZVFWFLSA-N 1 0 394.317 2.737 20 0 GFADRO Cc1ccc(NC(=O)[C@H](C)n2cc(CC[NH+](C)C)nn2)c(Br)c1 ZINC000640887995 565335001 /nfs/dbraw/zinc/33/50/01/565335001.db2.gz OWFYMAKGTYASEN-LBPRGKRZSA-N 1 0 380.290 2.653 20 0 GFADRO Cc1ccc(NC(=O)[C@@H](C)n2cc(C[NH2+]C3CC3)nn2)c(Br)c1 ZINC000640889139 565335209 /nfs/dbraw/zinc/33/52/09/565335209.db2.gz YOIRYWAWYFSPAJ-LLVKDONJSA-N 1 0 378.274 2.801 20 0 GFADRO Cc1cc(NC(=O)[C@@H](C)n2cc(C[NH2+]C3CC3)nn2)ccc1Br ZINC000640906046 565335974 /nfs/dbraw/zinc/33/59/74/565335974.db2.gz DZDILJSBYNYIBE-LLVKDONJSA-N 1 0 378.274 2.801 20 0 GFADRO CCC(C)(C)NC(=O)[C@@H](C)n1cc([C@@H]([NH3+])c2ccc(Br)cc2)nn1 ZINC000640908763 565336054 /nfs/dbraw/zinc/33/60/54/565336054.db2.gz GNIUJBINKORVBH-ABAIWWIYSA-N 1 0 394.317 2.955 20 0 GFADRO Cc1cc(NC(=O)[C@H](C)n2cc(C[C@@H]3CC[NH2+]C3)nn2)ccc1Br ZINC000640907004 565336150 /nfs/dbraw/zinc/33/61/50/565336150.db2.gz MJCCYSIKABEJDW-STQMWFEESA-N 1 0 392.301 2.701 20 0 GFADRO COCC[C@H]([NH3+])Cc1cn(Cc2cc(Br)cc3cccnc32)nn1 ZINC000640949393 565338459 /nfs/dbraw/zinc/33/84/59/565338459.db2.gz MKDGLDYCEPTATQ-HNNXBMFYSA-N 1 0 390.285 2.543 20 0 GFADRO Brc1cc(Cn2cc(C[NH2+]C3CCCC3)nn2)cc2c1OCO2 ZINC000640988460 565339722 /nfs/dbraw/zinc/33/97/22/565339722.db2.gz PEFNWDZMEHHFLP-UHFFFAOYSA-N 1 0 379.258 2.850 20 0 GFADRO CS[C@@H]1CN(C(=O)[C@@H]2CCOc3ccc(Br)cc32)C[C@@H]1[NH+](C)C ZINC000593562382 565341840 /nfs/dbraw/zinc/34/18/40/565341840.db2.gz UOYHAWQNKRIVLP-IVMMDQJWSA-N 1 0 399.354 2.819 20 0 GFADRO Cc1cc(C)n(CCn2cc([C@@H]([NH3+])c3ccc(Br)cc3)nn2)n1 ZINC000641037442 565341911 /nfs/dbraw/zinc/34/19/11/565341911.db2.gz UIOHGMREUNGEEJ-INIZCTEOSA-N 1 0 375.274 2.602 20 0 GFADRO CC(C)n1ccc(Cn2cc([C@H]([NH3+])c3ccc(Br)cc3)nn2)n1 ZINC000641041291 565342402 /nfs/dbraw/zinc/34/24/02/565342402.db2.gz DBPSOCFFIMICDC-MRXNPFEDSA-N 1 0 375.274 2.914 20 0 GFADRO [NH3+]C1CCN(CCc2cn(Cc3ccc(Cl)cc3Br)nn2)CC1 ZINC000641046172 565343117 /nfs/dbraw/zinc/34/31/17/565343117.db2.gz HASNNZXPDGUIOA-UHFFFAOYSA-N 1 0 398.736 2.708 20 0 GFADRO COCC[NH2+]CCc1cn(CC/C=C\c2ccc(Br)cc2)nn1 ZINC000641058218 565343463 /nfs/dbraw/zinc/34/34/63/565343463.db2.gz MDPAFEDCYASCNW-RQOWECAXSA-N 1 0 379.302 2.923 20 0 GFADRO O=C(N[C@@H]1CCC[NH2+]CC1)N1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000641052750 565344037 /nfs/dbraw/zinc/34/40/37/565344037.db2.gz OMMQBYMQALQINT-CVEARBPZSA-N 1 0 382.302 2.674 20 0 GFADRO [NH3+]C1CCN(CCc2cn(Cc3cc(Cl)cc(Br)c3)nn2)CC1 ZINC000641123103 565348465 /nfs/dbraw/zinc/34/84/65/565348465.db2.gz DWLPAIUMPMYISK-UHFFFAOYSA-N 1 0 398.736 2.708 20 0 GFADRO [NH3+][C@@H](c1cn(Cc2cc3n(n2)CCCC3)nn1)c1ccc(Br)cc1 ZINC000641150732 565349234 /nfs/dbraw/zinc/34/92/34/565349234.db2.gz SQZAUXIVYPNZNC-QGZVFWFLSA-N 1 0 387.285 2.670 20 0 GFADRO C[C@@H](c1cccc(Br)c1)n1cc(CCN2CCC([NH3+])CC2)nn1 ZINC000641134809 565350157 /nfs/dbraw/zinc/35/01/57/565350157.db2.gz OZJLIWWHUSGSCX-ZDUSSCGKSA-N 1 0 378.318 2.616 20 0 GFADRO O=C1C[C@@H](C[N@@H+]2CCc3cc(Br)c(Br)cc3C2)CN1 ZINC000662112560 565350375 /nfs/dbraw/zinc/35/03/75/565350375.db2.gz ZAVFIHJXGGPRES-SECBINFHSA-N 1 0 388.103 2.706 20 0 GFADRO CC(C)[C@@H]([NH3+])c1cn([C@H]2CCc3cc(Br)ccc3NC2=O)nn1 ZINC000641163947 565351005 /nfs/dbraw/zinc/35/10/05/565351005.db2.gz IFJSNMFQRHZIGS-LSDHHAIUSA-N 1 0 378.274 2.822 20 0 GFADRO CCC[C@H]([NH3+])c1cn([C@H]2CCc3cc(Br)ccc3NC2=O)nn1 ZINC000641164481 565351145 /nfs/dbraw/zinc/35/11/45/565351145.db2.gz OUBNAXSNYCPKNG-WFASDCNBSA-N 1 0 378.274 2.967 20 0 GFADRO C[C@@H](C(=O)Nc1ccc(Cl)c(Cl)c1)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000662153016 565351389 /nfs/dbraw/zinc/35/13/89/565351389.db2.gz LZQOQADCDQYZAF-SWLSCSKDSA-N 1 0 386.323 2.851 20 0 GFADRO O[C@H](COc1cc(Cl)cc(Cl)c1)Cn1cc(C[C@H]2CCC[NH2+]C2)nn1 ZINC000641220334 565354475 /nfs/dbraw/zinc/35/44/75/565354475.db2.gz NJLSYGYFGDLZFS-WBMJQRKESA-N 1 0 385.295 2.567 20 0 GFADRO O=C(Nc1cc(Cl)cc(Cl)c1)[C@@H]1CCCN1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662251912 565357856 /nfs/dbraw/zinc/35/78/56/565357856.db2.gz INPAFRGQOXCYIP-HOTGVXAUSA-N 1 0 384.307 2.917 20 0 GFADRO Brc1ccc2[nH]c3c(c2c1)CN(C[C@H]1CCC2(C[NH2+]C2)O1)CC3 ZINC000662304229 565359653 /nfs/dbraw/zinc/35/96/53/565359653.db2.gz FZOGYDLHNKNEBA-CYBMUJFWSA-N 1 0 376.298 2.810 20 0 GFADRO C[NH+](C)CCC[C@H]1CN(C[C@H](O)COc2c(Cl)cccc2Cl)CCO1 ZINC000662318827 565360151 /nfs/dbraw/zinc/36/01/51/565360151.db2.gz HGWFNLNHDXUADU-GJZGRUSLSA-N 1 0 391.339 2.776 20 0 GFADRO CN(Cc1csc(-c2ccc(S(C)(=O)=O)cc2)n1)[C@@H](C[NH3+])C(F)(F)F ZINC000662328641 565361029 /nfs/dbraw/zinc/36/10/29/565361029.db2.gz GSNKCTJDXIGMCH-ZDUSSCGKSA-N 1 0 393.456 2.535 20 0 GFADRO COc1cc(Br)c2nc(N3CCC([NH2+]C(C)C)CC3)nc(N)c2c1 ZINC000641334841 565363747 /nfs/dbraw/zinc/36/37/47/565363747.db2.gz CHNMMZMWVOQSLC-UHFFFAOYSA-N 1 0 394.317 2.950 20 0 GFADRO O=C(Nc1nnc(SCc2cccs2)s1)c1cn[nH]c1[C@H]1CC[NH2+]C1 ZINC000662400798 565365811 /nfs/dbraw/zinc/36/58/11/565365811.db2.gz GCEGOBQLDKMXIO-VIFPVBQESA-N 1 0 392.535 2.944 20 0 GFADRO O=C(Cc1ccc(Br)c(Br)c1)NCC[C@@H]1CC[NH2+]C1 ZINC000662412109 565365965 /nfs/dbraw/zinc/36/59/65/565365965.db2.gz JHJGPNPWYCDFBA-JTQLQIEISA-N 1 0 390.119 2.870 20 0 GFADRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@@H](N)c1ccccc1Br ZINC000662405978 565366104 /nfs/dbraw/zinc/36/61/04/565366104.db2.gz BSHVEPIAWFZQTD-LOUJCGABSA-N 1 0 382.346 2.932 20 0 GFADRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)c2sc3c(c2Br)CNC3)C1 ZINC000662419870 565367190 /nfs/dbraw/zinc/36/71/90/565367190.db2.gz ADANPYRZDWHPGB-LLVKDONJSA-N 1 0 386.359 2.964 20 0 GFADRO COCC[N@@H+]1CC[C@@H](NC(=O)C2(c3ccc(Br)cc3)CCC2)C1 ZINC000593908991 565367893 /nfs/dbraw/zinc/36/78/93/565367893.db2.gz GUIAELRMZUCIHP-MRXNPFEDSA-N 1 0 381.314 2.708 20 0 GFADRO N[C@@H](C(=O)NC1CC[NH+](C2CCCC2)CC1)c1ccccc1Br ZINC000662490245 565371385 /nfs/dbraw/zinc/37/13/85/565371385.db2.gz AVGVEJMHBKIJGH-QGZVFWFLSA-N 1 0 380.330 2.972 20 0 GFADRO CN(Cc1cc(Br)cs1)C(=O)c1cn([C@@H]2CCC[NH2+]CC2)nn1 ZINC000662502308 565372441 /nfs/dbraw/zinc/37/24/41/565372441.db2.gz UXSFCHUCVRSMSV-GFCCVEGCSA-N 1 0 398.330 2.689 20 0 GFADRO O=C(N1CC[C@H](N2CC[NH2+]CC2)C1)C1(c2c(Cl)cccc2Cl)CCC1 ZINC000662517721 565374042 /nfs/dbraw/zinc/37/40/42/565374042.db2.gz XDEYEVYSMLIMBS-AWEZNQCLSA-N 1 0 382.335 2.921 20 0 GFADRO CC(C)([NH3+])c1cc(C(=O)N2CCO[C@@H](c3ccc(Br)cc3)C2)on1 ZINC000662528833 565374371 /nfs/dbraw/zinc/37/43/71/565374371.db2.gz YBTCBVPPEKXPOZ-CQSZACIVSA-N 1 0 394.269 2.845 20 0 GFADRO Cc1c(Br)cncc1C(=O)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000662580875 565378137 /nfs/dbraw/zinc/37/81/37/565378137.db2.gz DARNOSFGLSDOBD-WOSRLPQWSA-N 1 0 382.302 2.511 20 0 GFADRO O=C(c1sc2c(c1Br)CNC2)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662590835 565378409 /nfs/dbraw/zinc/37/84/09/565378409.db2.gz OVYXLZIABZXMBP-GFCCVEGCSA-N 1 0 398.370 2.966 20 0 GFADRO N[C@H](C(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1)c1ccccc1Br ZINC000662577544 565378706 /nfs/dbraw/zinc/37/87/06/565378706.db2.gz JXHPHLNBBOGFCZ-XKQJLSEDSA-N 1 0 392.272 2.541 20 0 GFADRO Cc1cc(Br)ccc1CNC(=O)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC000662592104 565379503 /nfs/dbraw/zinc/37/95/03/565379503.db2.gz WFDIHCNGGGSVPW-HNNXBMFYSA-N 1 0 392.301 2.594 20 0 GFADRO C[NH2+]CCC(=O)N1CCc2cc(Br)c(Br)cc2C1 ZINC000662735399 565383609 /nfs/dbraw/zinc/38/36/09/565383609.db2.gz NLQQHMCHCCUSNR-UHFFFAOYSA-N 1 0 376.092 2.706 20 0 GFADRO C[C@@H]1[NH2+]CCN(C(=O)Cc2ccc(Br)c(Br)c2)[C@H]1C ZINC000662772213 565384374 /nfs/dbraw/zinc/38/43/74/565384374.db2.gz DDCGYUTXRTUDFI-UWVGGRQHSA-N 1 0 390.119 2.963 20 0 GFADRO [NH3+]Cc1cc(=O)[nH]c(CNC(=O)C2(c3ccc(Cl)c(Cl)c3)CCC2)n1 ZINC000662749231 565384600 /nfs/dbraw/zinc/38/46/00/565384600.db2.gz IBOXJPSNMWYMEI-UHFFFAOYSA-N 1 0 381.263 2.686 20 0 GFADRO CN(Cc1c(F)cccc1Cl)S(=O)(=O)N1CCC2(C1)CC[NH+](C)CC2 ZINC000641588745 565385158 /nfs/dbraw/zinc/38/51/58/565385158.db2.gz CWNRBMCFOTYMGL-UHFFFAOYSA-N 1 0 389.924 2.573 20 0 GFADRO O=C([C@@H]1C[C@H]1c1cccc(Br)c1)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000620473937 565385201 /nfs/dbraw/zinc/38/52/01/565385201.db2.gz BYIXPUJDNHYQIQ-FGTMMUONSA-N 1 0 393.325 2.610 20 0 GFADRO O=C(c1sc2c(c1Br)CNC2)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000662813470 565386030 /nfs/dbraw/zinc/38/60/30/565386030.db2.gz NENLKSHYZUOULM-ZYHUDNBSSA-N 1 0 384.343 2.718 20 0 GFADRO O=C(c1[nH]c2ccccc2c1Br)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000620486584 565386074 /nfs/dbraw/zinc/38/60/74/565386074.db2.gz JJOILFVZOOBZAN-ZDUSSCGKSA-N 1 0 392.297 2.602 20 0 GFADRO O=C(N1CCc2cc(Br)ccc2C1)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662799766 565386191 /nfs/dbraw/zinc/38/61/91/565386191.db2.gz MBUVTKDBDDFLOW-AWEZNQCLSA-N 1 0 377.204 2.876 20 0 GFADRO O=C(c1cc2cc(Br)ccc2[nH]1)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000620487508 565386421 /nfs/dbraw/zinc/38/64/21/565386421.db2.gz ZYCJAFWSPHFKPF-OAHLLOKOSA-N 1 0 392.297 2.602 20 0 GFADRO O=C(C(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1)c1ccc(Br)cc1 ZINC000662845733 565386613 /nfs/dbraw/zinc/38/66/13/565386613.db2.gz JZGQRGXKPXAFDD-HNNXBMFYSA-N 1 0 379.298 2.870 20 0 GFADRO Cc1c(Br)c2ccccc2n1CC(=O)Nc1nn(C)c(C)c1C[NH3+] ZINC000662835822 565386981 /nfs/dbraw/zinc/38/69/81/565386981.db2.gz PXKUXVZSFQXVKG-UHFFFAOYSA-N 1 0 390.285 2.852 20 0 GFADRO COC1(C(=O)N2CCc3[nH]c4ccc(Br)cc4c3C2)CC[NH2+]CC1 ZINC000662864688 565388751 /nfs/dbraw/zinc/38/87/51/565388751.db2.gz VDVTXUBSCZSOIM-UHFFFAOYSA-N 1 0 392.297 2.584 20 0 GFADRO [NH3+]CCc1nc(C(=O)N2CCOC[C@H]2c2cccc(Br)c2)cs1 ZINC000662885485 565389349 /nfs/dbraw/zinc/38/93/49/565389349.db2.gz ZQBZHGITGRBOJW-AWEZNQCLSA-N 1 0 396.310 2.621 20 0 GFADRO CC(=O)N[C@@H](CC(=O)NCC[C@@H]([NH3+])C(C)C)c1ccc(Br)cc1 ZINC000662924440 565389632 /nfs/dbraw/zinc/38/96/32/565389632.db2.gz BJWFTKKYJHRPDL-CVEARBPZSA-N 1 0 384.318 2.506 20 0 GFADRO CN[C@@H](C(=O)N1CCO[C@H](CCC[NH+](C)C)C1)c1cccc(Cl)c1Cl ZINC000662972050 565390502 /nfs/dbraw/zinc/39/05/02/565390502.db2.gz HNJFURWDNSLDKY-CXAGYDPISA-N 1 0 388.339 2.823 20 0 GFADRO C[NH+]1CCC2(CC1)CN(c1ncnc(C(F)(F)F)c1Br)CCO2 ZINC000641648970 565390713 /nfs/dbraw/zinc/39/07/13/565390713.db2.gz UTPXPDFGEKQPKQ-UHFFFAOYSA-N 1 0 395.223 2.559 20 0 GFADRO C[NH2+]C[C@@H](C)NC(=O)c1ccc(OCc2cc(C)no2)c(Br)c1 ZINC000662963404 565391344 /nfs/dbraw/zinc/39/13/44/565391344.db2.gz UJKHNXVTWZYOKR-LLVKDONJSA-N 1 0 382.258 2.662 20 0 GFADRO O=C(c1ccc(Cl)s1)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000663015003 565393772 /nfs/dbraw/zinc/39/37/72/565393772.db2.gz KCTTXTDUNSISPB-GFCCVEGCSA-N 1 0 379.917 2.554 20 0 GFADRO OC1(C[NH2+]Cc2cc(Br)sc2Br)CCOCC1 ZINC000641716763 565396319 /nfs/dbraw/zinc/39/63/19/565396319.db2.gz PUUZGIOLZPOHLJ-UHFFFAOYSA-N 1 0 385.121 2.904 20 0 GFADRO C[C@@H](CC(=O)NC[C@@H]1CC[N@@H+]1Cc1ccccc1)n1cc(Br)cn1 ZINC000620781777 565396299 /nfs/dbraw/zinc/39/62/99/565396299.db2.gz MKEYJOZBLPAVSC-YOEHRIQHSA-N 1 0 391.313 2.987 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCCN(CCN2CCOCC2)C1)c1cccc(Br)c1 ZINC000641788608 565399442 /nfs/dbraw/zinc/39/94/42/565399442.db2.gz TUFHGCNTFHEEPK-QFBILLFUSA-N 1 0 396.373 2.896 20 0 GFADRO Cn1cc(Br)cc1C(=O)N1CC2(CCCC2)OC[C@@H]1C[NH+](C)C ZINC000620915055 565402366 /nfs/dbraw/zinc/40/23/66/565402366.db2.gz ZEGFULZFXNRGEE-AWEZNQCLSA-N 1 0 384.318 2.503 20 0 GFADRO C[C@H](Oc1cccc(Br)c1)C(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000620969444 565402914 /nfs/dbraw/zinc/40/29/14/565402914.db2.gz BHBRIKFLSGPJRD-WMLDXEAASA-N 1 0 399.329 2.786 20 0 GFADRO C[NH+](C)CCC[C@@H]1CN(C(=O)CCc2ccccc2Br)CCO1 ZINC000620968538 565403106 /nfs/dbraw/zinc/40/31/06/565403106.db2.gz VVLGUPSPOSAARC-MRXNPFEDSA-N 1 0 383.330 2.951 20 0 GFADRO Cc1cc(OC[C@H](O)C[NH2+]C[C@@H]2CCS(=O)(=O)C2)c(C(C)C)cc1Cl ZINC000641966706 565403362 /nfs/dbraw/zinc/40/33/62/565403362.db2.gz FBQZVFAYZNMSJE-LSDHHAIUSA-N 1 0 389.945 2.536 20 0 GFADRO C[NH+](C)CCC[C@H]1CN(C(=O)COc2ccc(Cl)c(Cl)c2)CCO1 ZINC000620967096 565403419 /nfs/dbraw/zinc/40/34/19/565403419.db2.gz FNAYQPMOYFTVOH-AWEZNQCLSA-N 1 0 375.296 2.941 20 0 GFADRO CCn1c(SCC(=O)N2CC[NH2+][C@@H](C(C)C)C2)nnc1-c1cccs1 ZINC000621147943 565408602 /nfs/dbraw/zinc/40/86/02/565408602.db2.gz CJYUYBCUKCEBLN-CYBMUJFWSA-N 1 0 379.555 2.575 20 0 GFADRO C[C@]1(NS(=O)(=O)c2cc(Br)c(Cl)cc2Cl)CC[NH2+]C1 ZINC000663313400 565411211 /nfs/dbraw/zinc/41/12/11/565411211.db2.gz ZVPJTSCYAPMJIC-NSHDSACASA-N 1 0 388.114 2.786 20 0 GFADRO CC[NH+](CC)CCO[C@@H]1CCN(Cc2cc(OC)ncc2Br)C1 ZINC000621260712 565413382 /nfs/dbraw/zinc/41/33/82/565413382.db2.gz NDEDGJBKLRIKPU-OAHLLOKOSA-N 1 0 386.334 2.785 20 0 GFADRO CCCN1CC[C@@H]([NH2+]C[C@@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000663363955 565414894 /nfs/dbraw/zinc/41/48/94/565414894.db2.gz DJEGEPXYZWLXGN-ZIAGYGMSSA-N 1 0 391.737 2.916 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000643080458 565421121 /nfs/dbraw/zinc/42/11/21/565421121.db2.gz IHBWLAJXFSRQDT-CABCVRRESA-N 1 0 394.313 2.747 20 0 GFADRO C[C@@]1(NC(=O)Nc2ccnn2Cc2ccc(Br)cc2)CC[NH2+]C1 ZINC000663593926 565427949 /nfs/dbraw/zinc/42/79/49/565427949.db2.gz XMXFVECESOMLBV-MRXNPFEDSA-N 1 0 378.274 2.567 20 0 GFADRO Brc1cnnc(Sc2nnc([C@@H]3CCC[NH2+]C3)n2C2CC2)c1 ZINC000663630829 565429188 /nfs/dbraw/zinc/42/91/88/565429188.db2.gz TWFBXEFGCKJYNM-SECBINFHSA-N 1 0 381.303 2.784 20 0 GFADRO O=C(N[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1cc(Br)c[nH]c1=O ZINC000621554670 565430102 /nfs/dbraw/zinc/43/01/02/565430102.db2.gz VGMRTUBSVAPFKK-HNNXBMFYSA-N 1 0 390.281 2.944 20 0 GFADRO OC1CC[NH+](Cc2ccccc2CNc2cc(Br)cnn2)CC1 ZINC000663672416 565430387 /nfs/dbraw/zinc/43/03/87/565430387.db2.gz XYWFPLNFWPYZBF-UHFFFAOYSA-N 1 0 377.286 2.808 20 0 GFADRO O[C@@H]1CCC[C@@H]1[NH+]1CCN(Cc2nc3ccc(Br)cc3o2)CC1 ZINC000643369395 565430866 /nfs/dbraw/zinc/43/08/66/565430866.db2.gz QMYFQDOPZWDZQN-LSDHHAIUSA-N 1 0 380.286 2.621 20 0 GFADRO COCC[N@@H+]1CC[C@H](NC(=O)N[C@H]2C[C@H](c3ccc(Br)cc3)C2)C1 ZINC000643406903 565432396 /nfs/dbraw/zinc/43/23/96/565432396.db2.gz NPEAHVNCUPQJIU-XIRDDKMYSA-N 1 0 396.329 2.715 20 0 GFADRO C[N@H+](CCc1cccc(Br)c1)CC(=O)N1CCOC[C@H]1C1CC1 ZINC000643418910 565433354 /nfs/dbraw/zinc/43/33/54/565433354.db2.gz DHUUUOMEHFEPCO-KRWDZBQOSA-N 1 0 381.314 2.561 20 0 GFADRO O=C(C[NH2+][C@@H]1CCc2ccc(I)cc21)NCc1ccco1 ZINC000595003041 565440616 /nfs/dbraw/zinc/44/06/16/565440616.db2.gz BLAFIQWIAZHLTC-OAHLLOKOSA-N 1 0 396.228 2.778 20 0 GFADRO COC(=O)CC(C)(C)C[C@H](C)[NH2+]CCNS(=O)(=O)c1cc(C)sc1C ZINC000595022572 565443716 /nfs/dbraw/zinc/44/37/16/565443716.db2.gz NOSPPISKBRUVOU-LBPRGKRZSA-N 1 0 390.571 2.601 20 0 GFADRO CSC[C@H](CCO)[NH2+][C@H]1CCc2ccc(I)cc21 ZINC000595026527 565443934 /nfs/dbraw/zinc/44/39/34/565443934.db2.gz PCYWKQLYPFFURQ-JSGCOSHPSA-N 1 0 377.291 2.982 20 0 GFADRO COCC[C@H](COC)[NH2+][C@@H]1CCc2ccc(I)cc21 ZINC000595037077 565444288 /nfs/dbraw/zinc/44/42/88/565444288.db2.gz AZFLQPBBWJQBGX-UKRRQHHQSA-N 1 0 375.250 2.920 20 0 GFADRO COC[C@H](CC[NH2+][C@H]1CCc2ccc(I)cc21)OC ZINC000595059001 565445701 /nfs/dbraw/zinc/44/57/01/565445701.db2.gz FBFNQPROLQQXKW-ZFWWWQNUSA-N 1 0 375.250 2.920 20 0 GFADRO Cn1nnc2c1CC[C@H]([NH2+][C@H]1CCc3ccc(I)cc31)C2 ZINC000595044495 565446205 /nfs/dbraw/zinc/44/62/05/565446205.db2.gz ASHMYONWDSYRST-JSGCOSHPSA-N 1 0 394.260 2.554 20 0 GFADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc2c(cc1Br)OCO2 ZINC000621905104 565447571 /nfs/dbraw/zinc/44/75/71/565447571.db2.gz PFPNWEJJXWCDAF-NEPJUHHUSA-N 1 0 381.270 2.877 20 0 GFADRO C[N@@H+]1CC[C@@H](NC(=O)c2cc(Br)c[nH]c2=O)[C@H]1c1ccccc1 ZINC000621933995 565449473 /nfs/dbraw/zinc/44/94/73/565449473.db2.gz CLOVDRCTIPGJCP-HUUCEWRRSA-N 1 0 376.254 2.725 20 0 GFADRO C[C@@H](CCNC(=O)N[C@H]1CCN(c2ccccc2Br)C1)[NH+](C)C ZINC000664084685 565452441 /nfs/dbraw/zinc/45/24/41/565452441.db2.gz ADZDCFSXYMPXKG-KBPBESRZSA-N 1 0 383.334 2.667 20 0 GFADRO [NH3+][C@@]12CCC[C@@H]1CN(S(=O)(=O)Cc1cc(Cl)ccc1Br)C2 ZINC000622014564 565455318 /nfs/dbraw/zinc/45/53/18/565455318.db2.gz HSICWSRLYSBLJA-BXUZGUMPSA-N 1 0 393.734 2.746 20 0 GFADRO CC1(C)C[NH2+][C@@H]1C(=O)Nc1ccc(CCn2cc(Br)cn2)cc1 ZINC000644053606 565456329 /nfs/dbraw/zinc/45/63/29/565456329.db2.gz MBALOQDPSRUSIN-OAHLLOKOSA-N 1 0 377.286 2.825 20 0 GFADRO [NH3+][C@H]1CCC[C@@H](NC(=O)Nc2ccc(I)cc2F)C1 ZINC000595234158 565457186 /nfs/dbraw/zinc/45/71/86/565457186.db2.gz FTKHUUYELBTZGK-VHSXEESVSA-N 1 0 377.201 2.822 20 0 GFADRO O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1cc2ccc(F)cc2s1 ZINC000644131168 565459794 /nfs/dbraw/zinc/45/97/94/565459794.db2.gz NJPVVQJAOUSKNE-AWEZNQCLSA-N 1 0 375.391 2.606 20 0 GFADRO C[C@@H](CCC[NH3+])NC(=O)NCc1cc(Cl)ccc1I ZINC000595273118 565460187 /nfs/dbraw/zinc/46/01/87/565460187.db2.gz JGJNEPZBNRMOCI-VIFPVBQESA-N 1 0 395.672 2.871 20 0 GFADRO C[NH2+]C[C@H](C)NC(=O)N1CCC[C@H]1c1ccccc1I ZINC000595275334 565460629 /nfs/dbraw/zinc/46/06/29/565460629.db2.gz KFADZOPSZGCXKK-FZMZJTMJSA-N 1 0 387.265 2.746 20 0 GFADRO O=C(N[C@@H]1CC12CC[NH2+]CC2)[C@@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1 ZINC000644146606 565461221 /nfs/dbraw/zinc/46/12/21/565461221.db2.gz YJWXPIQRDRSIHL-IAQYHMDHSA-N 1 0 382.291 2.605 20 0 GFADRO [NH3+][C@@H]1CN(C(=O)CCn2cc(Br)cn2)CC[C@H]1c1ccc(F)cc1 ZINC000644161781 565461667 /nfs/dbraw/zinc/46/16/67/565461667.db2.gz FMIJAJLRAAIIBO-JKSUJKDBSA-N 1 0 395.276 2.518 20 0 GFADRO C[C@H](CCNC(=O)C(=O)Nc1ccc(OC(F)(F)F)cc1Cl)[NH+](C)C ZINC000664623705 565470129 /nfs/dbraw/zinc/47/01/29/565470129.db2.gz CHJNFQIAXLJGCL-SECBINFHSA-N 1 0 381.782 2.634 20 0 GFADRO CCN(C(=O)NCc1cn2cc(Br)cc(C)c2n1)[C@@H]1CC[N@H+](C)C1 ZINC000664661506 565472514 /nfs/dbraw/zinc/47/25/14/565472514.db2.gz WYNQLBVSRTXMBW-OAHLLOKOSA-N 1 0 394.317 2.641 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc3c(cc2Br)OCO3)[C@@H](C)C1 ZINC000622812437 565476134 /nfs/dbraw/zinc/47/61/34/565476134.db2.gz UEIPEXKASBUIGI-SMDDNHRTSA-N 1 0 383.286 2.980 20 0 GFADRO O[C@H](C[NH2+][C@H]1CCN(CC(F)(F)F)C1)COc1ccc(Cl)c(Cl)c1 ZINC000644532434 565480035 /nfs/dbraw/zinc/48/00/35/565480035.db2.gz JBOGBNQCKSJJIT-WDEREUQCSA-N 1 0 387.229 2.959 20 0 GFADRO C[C@@H]1CO[C@@H](C)CN1CCNC(=O)N[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000664802117 565480355 /nfs/dbraw/zinc/48/03/55/565480355.db2.gz MVJBEBHTEIOJIX-OSRSDYAFSA-N 1 0 396.329 2.713 20 0 GFADRO Ic1cccc(C[C@H]2CC[N@H+](CCc3cn[nH]n3)C2)c1 ZINC000595507640 565480570 /nfs/dbraw/zinc/48/05/70/565480570.db2.gz YDDZXNVXBDOWTQ-CYBMUJFWSA-N 1 0 382.249 2.516 20 0 GFADRO C[C@H](C[NH2+]CC1(c2ccc(Br)cc2)CCOCC1)S(C)(=O)=O ZINC000644535993 565480837 /nfs/dbraw/zinc/48/08/37/565480837.db2.gz AOOBDZVEULJCAL-CYBMUJFWSA-N 1 0 390.343 2.520 20 0 GFADRO CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+][C@@H]2CC[C@@](O)(C(F)(F)F)C2)cc1 ZINC000644554195 565481994 /nfs/dbraw/zinc/48/19/94/565481994.db2.gz VPQDCYSXLHBBKY-GLQYFDAESA-N 1 0 380.432 2.945 20 0 GFADRO O=[S@](CC[N@@H+](CCOCCO)C1CCC1)c1cc(Cl)ccc1Cl ZINC000595602543 565484614 /nfs/dbraw/zinc/48/46/14/565484614.db2.gz WTXKIPWORLFMSF-HSZRJFAPSA-N 1 0 380.337 2.964 20 0 GFADRO C[C@H]([NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1)[C@@H]1CCCCO1 ZINC000644616360 565485014 /nfs/dbraw/zinc/48/50/14/565485014.db2.gz AMJKPINEVRVWIB-PEYYIBSZSA-N 1 0 376.266 2.875 20 0 GFADRO NC(=O)Cc1ccc(C[NH2+]C[C@@H](O)COc2c(Cl)cccc2Cl)cc1 ZINC000644649126 565487904 /nfs/dbraw/zinc/48/79/04/565487904.db2.gz DHMSRQIIZKHJCO-CQSZACIVSA-N 1 0 383.275 2.551 20 0 GFADRO C[C@@]12CC[N@H+](Cc3cc(=O)n4cc(Br)ccc4n3)C[C@@H]1C2(F)F ZINC000644702894 565490353 /nfs/dbraw/zinc/49/03/53/565490353.db2.gz UMDDLDNHADKLRY-SWLSCSKDSA-N 1 0 384.224 2.934 20 0 GFADRO O=C(c1nc(C2CC2)ncc1Br)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000623053679 565492875 /nfs/dbraw/zinc/49/28/75/565492875.db2.gz MSCZOPUIVODQDC-JSGCOSHPSA-N 1 0 379.302 2.721 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000665218127 565493239 /nfs/dbraw/zinc/49/32/39/565493239.db2.gz FNAGFFVGHQHMCL-HNNXBMFYSA-N 1 0 382.302 2.820 20 0 GFADRO COC(=O)[C@H](c1ccc(Cl)cc1Cl)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000595862818 565494983 /nfs/dbraw/zinc/49/49/83/565494983.db2.gz HEROHGLYDMNNSL-PBHICJAKSA-N 1 0 387.307 2.739 20 0 GFADRO COC(=O)[C@H](c1ccc(Cl)c(Cl)c1)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000595862441 565495134 /nfs/dbraw/zinc/49/51/34/565495134.db2.gz BVBMKPWEIHOMSW-PBHICJAKSA-N 1 0 387.307 2.739 20 0 GFADRO Cc1nccc(C(=O)Nc2cc(Br)ccc2N(C)CC[NH+](C)C)n1 ZINC000644834719 565496913 /nfs/dbraw/zinc/49/69/13/565496913.db2.gz VSLWTGFAJICKGB-UHFFFAOYSA-N 1 0 392.301 2.798 20 0 GFADRO C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(Br)cc3Br)[C@@H]2C1 ZINC000644813397 565497306 /nfs/dbraw/zinc/49/73/06/565497306.db2.gz GYSFCGRPZOGKNV-TVQRCGJNSA-N 1 0 388.103 2.988 20 0 GFADRO [NH3+]CC12CC(C1)CN2C(=O)c1ccc(Cl)c(I)c1 ZINC000595943410 565501027 /nfs/dbraw/zinc/50/10/27/565501027.db2.gz ORIAVLJGJUGEGK-UHFFFAOYSA-N 1 0 376.625 2.508 20 0 GFADRO CCC(CC)(C[NH3+])C(=O)N1Cc2sc(C(=O)OC)c(Br)c2C1 ZINC000596006558 565505754 /nfs/dbraw/zinc/50/57/54/565505754.db2.gz XQXIQKAPNQKAFH-UHFFFAOYSA-N 1 0 389.315 2.905 20 0 GFADRO CC(C)[C@H]1CN(C(=O)Nc2cnc3c(Br)cccn23)CC[N@@H+]1C ZINC000645009439 565507892 /nfs/dbraw/zinc/50/78/92/565507892.db2.gz KBIBRCASBSZVDY-CYBMUJFWSA-N 1 0 380.290 2.901 20 0 GFADRO CC1(C[NH2+]Cc2cc(Cl)cc(Cl)c2OCCN2CCOCC2)COC1 ZINC000623417803 565509009 /nfs/dbraw/zinc/50/90/09/565509009.db2.gz PVUHYENIIJHURX-UHFFFAOYSA-N 1 0 389.323 2.831 20 0 GFADRO Cc1cc(C[NH2+]Cc2ccc(N(C)S(C)(=O)=O)cc2)ncc1Br ZINC000623414786 565509920 /nfs/dbraw/zinc/50/99/20/565509920.db2.gz QFHQUNCHBWVMDN-UHFFFAOYSA-N 1 0 398.326 2.838 20 0 GFADRO C[C@H](CCO)[NH2+]Cc1cc(Cl)cc(Cl)c1OCCN1CCOCC1 ZINC000623426548 565510063 /nfs/dbraw/zinc/51/00/63/565510063.db2.gz QLIPINZOCXOJAC-CYBMUJFWSA-N 1 0 377.312 2.565 20 0 GFADRO Cc1sc(Br)cc1S(=O)(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000645092916 565512625 /nfs/dbraw/zinc/51/26/25/565512625.db2.gz GDVHOZVRCCFOJF-CQSZACIVSA-N 1 0 393.372 2.925 20 0 GFADRO C[C@@H]([NH2+]Cc1nn(C)cc1Br)C1CCN(CC(F)(F)F)CC1 ZINC000645142170 565514151 /nfs/dbraw/zinc/51/41/51/565514151.db2.gz LXUAQMZHCRDEJJ-SNVBAGLBSA-N 1 0 383.256 2.935 20 0 GFADRO O=C(Cc1ccc(Br)c(Cl)c1)N[C@@H](CO)C[NH+]1CCCCC1 ZINC000665885191 565514531 /nfs/dbraw/zinc/51/45/31/565514531.db2.gz KOGAOVFMSJQQKE-CYBMUJFWSA-N 1 0 389.721 2.608 20 0 GFADRO C[C@@H]([NH2+]CC(=O)N1CCOC[C@@H]1C1CC1)c1ccc(F)c(Br)c1 ZINC000645193375 565515155 /nfs/dbraw/zinc/51/51/55/565515155.db2.gz GKIHUXLFUUCCJE-BDJLRTHQSA-N 1 0 385.277 2.876 20 0 GFADRO C[C@@H](CCNC(=O)NCc1noc(-c2cccc(Br)c2)n1)[NH+](C)C ZINC000665931160 565517330 /nfs/dbraw/zinc/51/73/30/565517330.db2.gz CXEPIWVUONVWRS-NSHDSACASA-N 1 0 396.289 2.639 20 0 GFADRO C[C@@H](NC(=O)N1CN(CC[NH+](C)C)C(=O)[C@@H]1C)c1cccc(Cl)c1Cl ZINC000645229371 565517652 /nfs/dbraw/zinc/51/76/52/565517652.db2.gz BERNUPFJLHKWFA-NEPJUHHUSA-N 1 0 387.311 2.816 20 0 GFADRO CN1CCC([N@@H+]2CC[C@@H](NC(=O)N3CCc4sc(Cl)cc4C3)C2)CC1 ZINC000645233381 565518013 /nfs/dbraw/zinc/51/80/13/565518013.db2.gz DCEJNFYIYKGQGM-CQSZACIVSA-N 1 0 382.961 2.638 20 0 GFADRO C[NH+](C)CCN1CCN(C(=O)c2cc3cc(Br)ccc3s2)CC1 ZINC000623542017 565518221 /nfs/dbraw/zinc/51/82/21/565518221.db2.gz JLFSXRUIKWYIKO-UHFFFAOYSA-N 1 0 396.354 2.983 20 0 GFADRO O=S1(=O)CC[C@H](CC[NH2+]C2(Cc3ccc(F)cc3Cl)CCOCC2)C1 ZINC000645243064 565518641 /nfs/dbraw/zinc/51/86/41/565518641.db2.gz PHBNXMGQHHSEKJ-AWEZNQCLSA-N 1 0 389.920 2.985 20 0 GFADRO Fc1cc(Br)cnc1C[NH2+][C@@H]1C[C@@H](N2CCOCC2)C12CCC2 ZINC000623572885 565518838 /nfs/dbraw/zinc/51/88/38/565518838.db2.gz QAQUQFFQMGAHPE-HZPDHXFCSA-N 1 0 384.293 2.716 20 0 GFADRO COc1ccc(Br)cc1C1(NC(=O)N[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000645294990 565520519 /nfs/dbraw/zinc/52/05/19/565520519.db2.gz VYOQAKVKAPXOLX-ZDUSSCGKSA-N 1 0 394.313 2.983 20 0 GFADRO O=C(N[C@H]1CC[N@H+](CC2CC2)C1)c1ccn(-c2ccc(Br)cc2)n1 ZINC000645345763 565521189 /nfs/dbraw/zinc/52/11/89/565521189.db2.gz OQRGCJSAGUGGNY-HNNXBMFYSA-N 1 0 389.297 2.849 20 0 GFADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]C1CCN(C(=O)C(C)(C)C)CC1 ZINC000666082572 565522054 /nfs/dbraw/zinc/52/20/54/565522054.db2.gz QHRBPZYVONFQLX-CYBMUJFWSA-N 1 0 398.345 2.626 20 0 GFADRO Cc1cc(Br)ccc1C[NH2+][C@H]1CCN(c2ccc3nncn3n2)C1 ZINC000623652256 565523437 /nfs/dbraw/zinc/52/34/37/565523437.db2.gz BGQBNDIFLNDPJG-HNNXBMFYSA-N 1 0 387.285 2.564 20 0 GFADRO O=C(COC1CC[NH2+]CC1)N[C@H]1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000645435798 565526164 /nfs/dbraw/zinc/52/61/64/565526164.db2.gz BOAJEGUAHMORFJ-URLYPYJESA-N 1 0 376.341 2.781 20 0 GFADRO C[NH+](C)[C@H](CNS(=O)(=O)c1ncccc1C(F)(F)F)C1CCCCC1 ZINC000645469717 565527827 /nfs/dbraw/zinc/52/78/27/565527827.db2.gz RSZSFRDVLZUVSU-CQSZACIVSA-N 1 0 379.448 2.889 20 0 GFADRO CC[C@H](C)[N@H+](C)CCNS(=O)(=O)c1cc(Br)c(F)cc1F ZINC000596614895 565529639 /nfs/dbraw/zinc/52/96/39/565529639.db2.gz ABTKEYUZVHKBEN-VIFPVBQESA-N 1 0 385.274 2.736 20 0 GFADRO CCCN(C(=O)NCCCCn1cc(Br)cn1)[C@@H]1CC[N@H+](C)C1 ZINC000645484237 565530699 /nfs/dbraw/zinc/53/06/99/565530699.db2.gz PTPOBDSFUHHNGM-OAHLLOKOSA-N 1 0 386.338 2.552 20 0 GFADRO Brc1sccc1C[NH2+]C[C@H]1CN(Cc2ccncc2)CCO1 ZINC000623783854 565530883 /nfs/dbraw/zinc/53/08/83/565530883.db2.gz WKVSXENDJCUTAP-HNNXBMFYSA-N 1 0 382.327 2.896 20 0 GFADRO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NCc1cc(Cl)ccc1I ZINC000596652592 565530909 /nfs/dbraw/zinc/53/09/09/565530909.db2.gz VGTMEIAEZYHLMN-WFBYXXMGSA-N 1 0 394.684 2.787 20 0 GFADRO C[C@H](C[NH+]1CCCCC1)NC(=O)[C@@H]1CCO[C@H]1c1cncc(Br)c1 ZINC000666318071 565531590 /nfs/dbraw/zinc/53/15/90/565531590.db2.gz VWXWPAOFPWJRQR-XYPHTWIQSA-N 1 0 396.329 2.912 20 0 GFADRO CCCC(=O)NC1CCN(C(=O)[C@](C)([NH3+])c2ccc(Br)cc2)CC1 ZINC000645499816 565531676 /nfs/dbraw/zinc/53/16/76/565531676.db2.gz MQRCGIZXCJTDME-GOSISDBHSA-N 1 0 396.329 2.530 20 0 GFADRO O=S(=O)(CCC[C@@H]1CCOC1)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000645504362 565532555 /nfs/dbraw/zinc/53/25/55/565532555.db2.gz KVOKSBCTZIWBMV-QGZVFWFLSA-N 1 0 386.583 2.696 20 0 GFADRO CC[C@@H](CNS(C)(=O)=O)[NH2+][C@@H](C)c1cc(F)c(Br)cc1F ZINC000623993477 565538873 /nfs/dbraw/zinc/53/88/73/565538873.db2.gz TYVTZOBFFJCENK-IUCAKERBSA-N 1 0 385.274 2.706 20 0 GFADRO COCCNC(=O)C1([NH2+][C@@H](C)Cc2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000624000160 565539050 /nfs/dbraw/zinc/53/90/50/565539050.db2.gz QIWHAYIXUZFZQC-JTQLQIEISA-N 1 0 379.810 2.570 20 0 GFADRO C[C@H](CC[NH+](C)C)NS(=O)(=O)c1ccc2c(Br)cn(C)c2c1 ZINC000645567369 565539225 /nfs/dbraw/zinc/53/92/25/565539225.db2.gz HLVCXSZQDWCVKY-LLVKDONJSA-N 1 0 388.331 2.559 20 0 GFADRO COc1ccc(CCC(=O)NCCCC[NH+]2CCOCC2)c(Br)c1 ZINC000666469212 565539343 /nfs/dbraw/zinc/53/93/43/565539343.db2.gz UASWZSJBCPFEAS-UHFFFAOYSA-N 1 0 399.329 2.619 20 0 GFADRO C[C@@H]1C[C@@H](NS(=O)(=O)c2cc(Cl)ccc2OC(F)(F)F)CC[N@@H+]1C ZINC000645565783 565539427 /nfs/dbraw/zinc/53/94/27/565539427.db2.gz VNYSJCZFVMZEGA-KOLCDFICSA-N 1 0 386.823 3.000 20 0 GFADRO CCC[C@H](C[NH2+][C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1)OCC ZINC000624051272 565540260 /nfs/dbraw/zinc/54/02/60/565540260.db2.gz YABVKFZOEWUNIA-WCQYABFASA-N 1 0 393.347 2.952 20 0 GFADRO C[C@H]1CC[N@H+](CCNS(=O)(=O)Cc2ccc(Br)cc2Cl)C1 ZINC000645574507 565540411 /nfs/dbraw/zinc/54/04/11/565540411.db2.gz QSLPILNPBQCLIF-NSHDSACASA-N 1 0 395.750 2.864 20 0 GFADRO CCC[N@H+](CC)C[C@H](C)NC(=O)NCc1cc(Br)cnc1OC ZINC000624092243 565542918 /nfs/dbraw/zinc/54/29/18/565542918.db2.gz DYCRDTLTXRXVMZ-LBPRGKRZSA-N 1 0 387.322 2.772 20 0 GFADRO C[C@@H]([NH2+][C@@H]1CCCC[C@H]1NS(C)(=O)=O)c1ccc(Br)cc1 ZINC000624136357 565545398 /nfs/dbraw/zinc/54/53/98/565545398.db2.gz GOHJQCBVYFZNLI-KCPJHIHWSA-N 1 0 375.332 2.960 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cc(Br)cc2c1OCCO2 ZINC000666607761 565545739 /nfs/dbraw/zinc/54/57/39/565545739.db2.gz CGIWNONBVKFZOO-CHWSQXEVSA-N 1 0 381.270 2.577 20 0 GFADRO C[C@@H](NC(=O)[C@H](C)NC(=O)c1cccc(Cl)c1Cl)C1CC[NH+](C)CC1 ZINC000624270699 565549692 /nfs/dbraw/zinc/54/96/92/565549692.db2.gz DTWTZMHZXLLYKW-NEPJUHHUSA-N 1 0 386.323 2.958 20 0 GFADRO O=C(Nc1cc(-c2ccc(Br)s2)[nH]n1)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000645680045 565550985 /nfs/dbraw/zinc/55/09/85/565550985.db2.gz UUILIJLJVKMMGH-WDEREUQCSA-N 1 0 395.326 3.475 20 0 GFADRO Cc1cc(Br)c(F)cc1S(=O)(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000624356051 565552123 /nfs/dbraw/zinc/55/21/23/565552123.db2.gz NUXNQUHPOGTEAK-QWRGUYRKSA-N 1 0 379.295 2.645 20 0 GFADRO Cc1cc(Br)c(F)cc1S(=O)(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000624363913 565553554 /nfs/dbraw/zinc/55/35/54/565553554.db2.gz XVTMWGWXMDTBTK-AWEZNQCLSA-N 1 0 379.295 2.565 20 0 GFADRO COc1cc(Br)c(C[NH2+][C@@H]2CCC[C@@H]([S@@](C)=O)C2)cc1O ZINC000597183331 565554535 /nfs/dbraw/zinc/55/45/35/565554535.db2.gz STMYFRHNQPQKJA-JWCBKOKGSA-N 1 0 376.316 2.943 20 0 GFADRO CCc1cccc(CC)c1S(=O)(=O)N1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000624391278 565554847 /nfs/dbraw/zinc/55/48/47/565554847.db2.gz ULEDESCKZDNUGT-CABCVRRESA-N 1 0 378.460 2.959 20 0 GFADRO CN(CC1C[NH+](C)C1)C(=O)Nc1nnc(-c2cccc(Br)c2)s1 ZINC000666748839 565554959 /nfs/dbraw/zinc/55/49/59/565554959.db2.gz ZYLYOLRPERIBMZ-UHFFFAOYSA-N 1 0 396.314 2.993 20 0 GFADRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2cc3cc(F)ccc3o2)CC[C@H]1C(F)(F)F ZINC000624392239 565555349 /nfs/dbraw/zinc/55/53/49/565555349.db2.gz MGPXNGYXNSRYOY-ZYHUDNBSSA-N 1 0 380.363 2.720 20 0 GFADRO C[NH+](C)CCCNC(=O)NCc1cc(Br)ccc1OC(F)F ZINC000624415731 565556624 /nfs/dbraw/zinc/55/66/24/565556624.db2.gz YYQVBLUAUIYLJH-UHFFFAOYSA-N 1 0 380.233 2.801 20 0 GFADRO C[C@@H]1[NH2+]CC[C@H]1NS(=O)(=O)c1ccc(Br)c(Cl)c1Cl ZINC000624414907 565556959 /nfs/dbraw/zinc/55/69/59/565556959.db2.gz JRPGXZOMUCOSML-POYBYMJQSA-N 1 0 388.114 2.785 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(S(=O)(=O)Cc3ccc(Br)cc3Cl)C[C@@H]21 ZINC000645745344 565557293 /nfs/dbraw/zinc/55/72/93/565557293.db2.gz LETFLKGQDLYNJJ-YGRLFVJLSA-N 1 0 393.734 2.568 20 0 GFADRO Cc1cc(Br)ccc1C(=O)N1CCC([NH2+]C[C@@H]2C[C@H](F)CN2)CC1 ZINC000666946407 565563543 /nfs/dbraw/zinc/56/35/43/565563543.db2.gz AKIDUJLJFCGGDS-HOCLYGCPSA-N 1 0 398.320 2.652 20 0 GFADRO C[NH+]1CC2(C1)CCN(C(=O)CSCc1ccc(Br)cc1F)C2 ZINC000597572335 565565150 /nfs/dbraw/zinc/56/51/50/565565150.db2.gz QFUNLSNLZAQRAI-UHFFFAOYSA-N 1 0 387.318 2.986 20 0 GFADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)NCc2cc(Br)cnc2OC)C1 ZINC000624632245 565567950 /nfs/dbraw/zinc/56/79/50/565567950.db2.gz MVYPXUKVDPHKMC-ZDUSSCGKSA-N 1 0 399.333 2.726 20 0 GFADRO COc1cc(CNC(=O)N2CC[C@@H]([NH+]3CCCC3)C2)c(Br)cc1O ZINC000645922307 565573618 /nfs/dbraw/zinc/57/36/18/565573618.db2.gz OPUPFUPDXDFYTO-CYBMUJFWSA-N 1 0 398.301 2.543 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CN(C(=O)Nc2cc(Br)c(F)cc2Cl)CCO1 ZINC000667183604 565574501 /nfs/dbraw/zinc/57/45/01/565574501.db2.gz KCMPGTCORSYRAJ-JMCQJSRRSA-N 1 0 380.645 2.822 20 0 GFADRO CCN(C(=O)c1ccc(F)cc1I)[C@H]1CC[N@H+](C)C1 ZINC000597946294 565583649 /nfs/dbraw/zinc/58/36/49/565583649.db2.gz NLESMJYVXNHMRL-NSHDSACASA-N 1 0 376.213 2.597 20 0 GFADRO CO[C@@H]1COC[C@H]1[NH2+]CCCC(=O)Nc1c(C)cc(Br)cc1C ZINC000646044361 565585370 /nfs/dbraw/zinc/58/53/70/565585370.db2.gz UGRICODWQBIKRF-HUUCEWRRSA-N 1 0 385.302 2.788 20 0 GFADRO CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)NCC[C@@H](C)[NH+](C)C ZINC000597997569 565587186 /nfs/dbraw/zinc/58/71/86/565587186.db2.gz NIPFKBSPICRBHM-CJNGLKHVSA-N 1 0 385.961 2.648 20 0 GFADRO C[C@H](C[C@H](C)[NH3+])NC(=O)N1CCN(CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000646214260 565590497 /nfs/dbraw/zinc/59/04/97/565590497.db2.gz QDGAZJRFXQSPMT-UONOGXRCSA-N 1 0 387.355 2.989 20 0 GFADRO C[C@H]([NH2+]C1CCC2(CC1)NC(=O)NC2=O)c1ccc(F)c(Br)c1 ZINC000646246458 565591793 /nfs/dbraw/zinc/59/17/93/565591793.db2.gz JJRKLJIIEHPDQT-BAJKAOOYSA-N 1 0 384.249 2.760 20 0 GFADRO [NH3+][C@H]1CCC[C@H](CNC(=O)Nc2ccnn2-c2ccc(Br)cn2)C1 ZINC000667517402 565592334 /nfs/dbraw/zinc/59/23/34/565592334.db2.gz GPHMMVURVNWVCZ-AAEUAGOBSA-N 1 0 393.289 2.669 20 0 GFADRO O=C(NCC[NH2+]C1CC1)Nc1cc(Br)cc(C(=O)N2CCCC2)c1 ZINC000667517525 565592472 /nfs/dbraw/zinc/59/24/72/565592472.db2.gz QEJACPUWWSFSMO-UHFFFAOYSA-N 1 0 395.301 2.559 20 0 GFADRO CN(C)C(=O)C1CC[NH+]([C@@H]2CCc3cc(Br)ccc3NC2=O)CC1 ZINC000625045519 565592627 /nfs/dbraw/zinc/59/26/27/565592627.db2.gz MRXFFRAMQFZKIT-MRXNPFEDSA-N 1 0 394.313 2.503 20 0 GFADRO [NH3+][C@H]1CCC[C@@H](NC(=O)C(=O)Nc2ccccc2SCC(F)(F)F)C1 ZINC000667526190 565593605 /nfs/dbraw/zinc/59/36/05/565593605.db2.gz HOSZUIBTEHNPHK-WDEREUQCSA-N 1 0 375.416 2.666 20 0 GFADRO CC[C@H]1CN(C(=O)C(=O)Nc2cccc(Br)c2Cl)CC[C@H]1[NH3+] ZINC000667548302 565594841 /nfs/dbraw/zinc/59/48/41/565594841.db2.gz LFKVWJLGMCGIQY-GXSJLCMTSA-N 1 0 388.693 2.627 20 0 GFADRO CCOc1cc(Br)c(CC(=O)NCC2([NH3+])CCC2)cc1OCC ZINC000646307759 565595713 /nfs/dbraw/zinc/59/57/13/565595713.db2.gz YKLFFUGRUQAWOJ-UHFFFAOYSA-N 1 0 385.302 2.787 20 0 GFADRO O=C(c1cc(-c2ccc(Br)cc2)n[nH]1)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000646344532 565598811 /nfs/dbraw/zinc/59/88/11/565598811.db2.gz LZEBPZMRUSVHFV-MLGOLLRUSA-N 1 0 375.270 2.663 20 0 GFADRO Cn1nc2cc(Br)ccc2c1C(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000646386325 565601116 /nfs/dbraw/zinc/60/11/16/565601116.db2.gz UQMXUQASDNMYPV-STQMWFEESA-N 1 0 391.313 2.798 20 0 GFADRO [NH3+]Cc1cccc(NC(=O)NC[C@@H](CO)Cc2ccc(Br)cc2)c1 ZINC000667735245 565604109 /nfs/dbraw/zinc/60/41/09/565604109.db2.gz OGIFTKUOKQRDAV-HNNXBMFYSA-N 1 0 392.297 2.881 20 0 GFADRO C[N@@H+]1CCC[C@@H]1[C@H]1COCCN1C(=O)CSc1cccc(Br)c1 ZINC000646446124 565604087 /nfs/dbraw/zinc/60/40/87/565604087.db2.gz XZBFKXQIFFLSBO-HZPDHXFCSA-N 1 0 399.354 2.863 20 0 GFADRO C[C@@H](NC(=O)Nc1cnc2c(c1)C[NH2+]CC2)c1ccc(Br)cn1 ZINC000667805033 565606184 /nfs/dbraw/zinc/60/61/84/565606184.db2.gz VPFKQIRWPVFCDK-SNVBAGLBSA-N 1 0 376.258 2.768 20 0 GFADRO [NH3+]CC[C@H](NC(=O)NC[C@H]1CCN(c2ccc(Cl)cc2)C1)C(F)(F)F ZINC000667865418 565609520 /nfs/dbraw/zinc/60/95/20/565609520.db2.gz BUFISSOAPOWGFN-RISCZKNCSA-N 1 0 378.826 2.745 20 0 GFADRO CCCN(C(=O)CNC(=O)c1sc2ccccc2c1Cl)[C@@H]1CC[NH2+]C1 ZINC000646698900 565614642 /nfs/dbraw/zinc/61/46/42/565614642.db2.gz IEKOWXDHRNDSER-GFCCVEGCSA-N 1 0 379.913 2.885 20 0 GFADRO O=C(Nc1nc2cc(I)ccc2[nH]1)[C@H]1CCC[N@@H+]1C1CC1 ZINC000598429623 565617018 /nfs/dbraw/zinc/61/70/18/565617018.db2.gz ZZMVXMRMNRPOMN-CYBMUJFWSA-N 1 0 396.232 2.733 20 0 GFADRO CCCN(C(=O)C(=O)Nc1ccc(C)cc1Br)[C@@H]1CC[N@H+](C)C1 ZINC000646768213 565617603 /nfs/dbraw/zinc/61/76/03/565617603.db2.gz PTHAXKIETOHASQ-CYBMUJFWSA-N 1 0 382.302 2.639 20 0 GFADRO CC(C)OC[C@H]1CN([C@@H]2CCc3cc(Br)ccc3NC2=O)CCO1 ZINC000625330610 565619896 /nfs/dbraw/zinc/61/98/96/565619896.db2.gz PIWBHBZQSGWJIO-NVXWUHKLSA-N 1 0 397.313 2.828 20 0 GFADRO Cc1cc(C(=O)N2CCO[C@@H]([C@@H](C)[NH3+])C2)nn1-c1ccc(Cl)cc1Cl ZINC000646844468 565622375 /nfs/dbraw/zinc/62/23/75/565622375.db2.gz UZBYVYANLRALGY-BDJLRTHQSA-N 1 0 383.279 2.676 20 0 GFADRO C[C@H]([NH3+])[C@H]1CN(C(=O)CCCCOc2ccc(Br)cc2)CCO1 ZINC000646844844 565622906 /nfs/dbraw/zinc/62/29/06/565622906.db2.gz BQCJYRGPFZOKKQ-XJKSGUPXSA-N 1 0 385.302 2.573 20 0 GFADRO CC[C@@H]1CN(C(=O)c2cc(I)c(F)cc2F)C[C@H](C)[NH2+]1 ZINC000598531778 565623235 /nfs/dbraw/zinc/62/32/35/565623235.db2.gz PIVRNDJUESUOEI-DTWKUNHWSA-N 1 0 394.203 2.782 20 0 GFADRO CC[NH+](CC)[C@@H]1CCN(C(=O)c2cc(Br)cc3[nH]c(=O)[nH]c32)C1 ZINC000646880574 565624213 /nfs/dbraw/zinc/62/42/13/565624213.db2.gz UOIITUKPYMYDSB-LLVKDONJSA-N 1 0 381.274 2.587 20 0 GFADRO C[NH2+]CCC1CCN(C(=O)c2c3ccc(Br)cc3nn2C)CC1 ZINC000646918758 565625506 /nfs/dbraw/zinc/62/55/06/565625506.db2.gz OQCVHBJIPVSVBW-UHFFFAOYSA-N 1 0 379.302 2.798 20 0 GFADRO C[N@@H+]1C[C@H]2CCN(C(=O)CCNc3ncc(C(F)(F)F)cc3Cl)[C@H]2C1 ZINC000646933304 565626460 /nfs/dbraw/zinc/62/64/60/565626460.db2.gz ADZYDETVFXOMMN-MFKMUULPSA-N 1 0 376.810 2.718 20 0 GFADRO CC1([NH3+])CCN(C(=O)[C@H]2CCCN2C(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000646995757 565630946 /nfs/dbraw/zinc/63/09/46/565630946.db2.gz PKOCUBDNJPICPR-OAHLLOKOSA-N 1 0 384.307 2.938 20 0 GFADRO O=C1Nc2ccc(Br)cc2CC[C@H]1N1CCC(F)(F)[C@@H](CO)C1 ZINC000625442203 565631459 /nfs/dbraw/zinc/63/14/59/565631459.db2.gz QGFYAPWIKYOGAS-BXUZGUMPSA-N 1 0 389.240 2.652 20 0 GFADRO CC[C@@H]1CN(C(=O)c2ccn(-c3cccc(Br)c3)n2)CC[C@H]1[NH3+] ZINC000647011675 565632168 /nfs/dbraw/zinc/63/21/68/565632168.db2.gz IUDSVVIMPDUNPX-IUODEOHRSA-N 1 0 377.286 2.834 20 0 GFADRO CC[C@H]1CN(C(=O)c2nnn(-c3cccc(Br)c3)c2C)CC[C@H]1[NH3+] ZINC000647009364 565632488 /nfs/dbraw/zinc/63/24/88/565632488.db2.gz BUMXLQYVRKNHLY-SWLSCSKDSA-N 1 0 392.301 2.538 20 0 GFADRO [NH3+][C@@]12CCC[C@H]1CN(C(=O)c1cc(F)c(F)cc1I)C2 ZINC000598668458 565632668 /nfs/dbraw/zinc/63/26/68/565632668.db2.gz TVIDJAKLIPYJTQ-RMLUDKJBSA-N 1 0 392.187 2.523 20 0 GFADRO CCCN(CC(F)(F)F)C(=O)C[N@H+](C)C1CCN(CC(F)(F)F)CC1 ZINC000625463730 565633043 /nfs/dbraw/zinc/63/30/43/565633043.db2.gz KWAARCOFSGHNTJ-UHFFFAOYSA-N 1 0 377.373 2.746 20 0 GFADRO C[C@H](CC(=O)N(CC[NH3+])CCc1ccccc1)n1cc(Br)cn1 ZINC000647036450 565633320 /nfs/dbraw/zinc/63/33/20/565633320.db2.gz FYDZKKXXCVJWSD-CQSZACIVSA-N 1 0 379.302 2.627 20 0 GFADRO [NH3+]CCCN(CC1CCCC1)C(=O)CNC(=O)c1cccc(Br)c1 ZINC000647043252 565634163 /nfs/dbraw/zinc/63/41/63/565634163.db2.gz VSPYGADQGCHUQC-UHFFFAOYSA-N 1 0 396.329 2.547 20 0 GFADRO C[C@@H](CC(=O)N1CCC([C@@H]2[NH2+]CC2(C)C)CC1)n1cc(Br)cn1 ZINC000647092721 565636352 /nfs/dbraw/zinc/63/63/52/565636352.db2.gz JCMCPNACCHDOTD-LRDDRELGSA-N 1 0 383.334 2.833 20 0 GFADRO COc1ccc(CN2CCC([NH+]3CCOCC3)CC2)c(Br)c1OC ZINC000625554411 565638916 /nfs/dbraw/zinc/63/89/16/565638916.db2.gz VFYCJOLCYVQOLW-UHFFFAOYSA-N 1 0 399.329 2.763 20 0 GFADRO CC(C)N(C)S(=O)(=O)c1ccc(Cl)c(-c2nc([C@@H]3CCC[NH2+]3)no2)c1 ZINC000647155373 565641444 /nfs/dbraw/zinc/64/14/44/565641444.db2.gz YAOZBMOLRMEVRY-AWEZNQCLSA-N 1 0 384.889 2.843 20 0 GFADRO CCN(C(=O)C(=O)N[C@H](C)c1ccc(Br)cc1)[C@H]1CC[N@H+](CC)C1 ZINC000668365200 565643070 /nfs/dbraw/zinc/64/30/70/565643070.db2.gz FEYRNAWXBPZKGI-CJNGLKHVSA-N 1 0 396.329 2.569 20 0 GFADRO Cc1cc(Br)cc(C)c1S(=O)(=O)N(C1CC1)C1CC[NH2+]CC1 ZINC000647190144 565644167 /nfs/dbraw/zinc/64/41/67/565644167.db2.gz KDUNGZBZYMVBOE-UHFFFAOYSA-N 1 0 387.343 2.971 20 0 GFADRO COCC[N@@H+]1CCC[C@H](NC(=O)CCc2ccc(OC)cc2Br)C1 ZINC000668374253 565644563 /nfs/dbraw/zinc/64/45/63/565644563.db2.gz WZZLRVDYTKSXJT-HNNXBMFYSA-N 1 0 399.329 2.617 20 0 GFADRO OC[C@@H](C[NH2+]Cc1cc(OC(F)F)ccc1Br)[C@@H]1CCOC1 ZINC000647208611 565646385 /nfs/dbraw/zinc/64/63/85/565646385.db2.gz XWPRBWAGSFKKMZ-ZYHUDNBSSA-N 1 0 380.229 2.785 20 0 GFADRO COCC[N@@H+]1CC[C@H](NC(=O)c2cc3c(ccc(Br)c3C)[nH]2)C1 ZINC000668435929 565646548 /nfs/dbraw/zinc/64/65/48/565646548.db2.gz SGGJPCYOUYLQDU-LBPRGKRZSA-N 1 0 380.286 2.689 20 0 GFADRO O=S(=O)(c1cc(F)ccc1OC(F)F)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647238106 565647981 /nfs/dbraw/zinc/64/79/81/565647981.db2.gz FEYKGIYGOQVJPQ-YPMHNXCESA-N 1 0 378.416 2.580 20 0 GFADRO Cn1cc(-c2ccc(CN3C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C3)s2)cn1 ZINC000668470073 565648566 /nfs/dbraw/zinc/64/85/66/565648566.db2.gz PGCOSJYDUDETFE-JSGCOSHPSA-N 1 0 393.456 2.556 20 0 GFADRO C[C@@H]1CN(S(=O)(=O)Cc2ccc(Br)cc2Cl)[C@@H](C)C[NH2+]1 ZINC000647250618 565649408 /nfs/dbraw/zinc/64/94/08/565649408.db2.gz JXNPNVXNOZBYQX-ZJUUUORDSA-N 1 0 381.723 2.615 20 0 GFADRO CO[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+][C@@H]1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000668506263 565650640 /nfs/dbraw/zinc/65/06/40/565650640.db2.gz IMIIQGRDJRTLAB-DRPJVOAASA-N 1 0 377.428 2.743 20 0 GFADRO O=S(=O)(Cc1cc(Cl)ccc1Br)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000647264776 565650942 /nfs/dbraw/zinc/65/09/42/565650942.db2.gz RVPHFFVFYHEANZ-IINYFYTJSA-N 1 0 393.734 2.616 20 0 GFADRO CO[C@@H]1CS(=O)(=O)C[C@H]1[NH2+][C@@H](C)Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC000668506644 565651340 /nfs/dbraw/zinc/65/13/40/565651340.db2.gz LKPCXEMCJVCZBP-CUOATXAZSA-N 1 0 385.835 2.691 20 0 GFADRO CC[C@@H]1CN(S(=O)(=O)Cc2ccc(Cl)cc2Br)CC[C@@H]1[NH3+] ZINC000647270436 565651612 /nfs/dbraw/zinc/65/16/12/565651612.db2.gz ZBSDVIODCYFESF-YGRLFVJLSA-N 1 0 395.750 2.992 20 0 GFADRO CC[C@@H]1CN(S(=O)(=O)c2cccc(Br)c2Cl)CC[C@H]1[NH3+] ZINC000647268495 565651835 /nfs/dbraw/zinc/65/18/35/565651835.db2.gz CYCGPWRUWZUAMV-MWLCHTKSSA-N 1 0 381.723 2.850 20 0 GFADRO CN(C)C(=O)CN(CC[NH+](C)C)Cc1cnc(-c2ccc(Cl)cc2)s1 ZINC000668557803 565653369 /nfs/dbraw/zinc/65/33/69/565653369.db2.gz REBYRYQNAHNIGR-UHFFFAOYSA-N 1 0 380.945 2.915 20 0 GFADRO C[C@H]1C[NH2+]CC[C@@H]1NS(=O)(=O)Cc1ccc(Br)cc1Cl ZINC000647287291 565653644 /nfs/dbraw/zinc/65/36/44/565653644.db2.gz YXDFBGBYXQDALP-ZANVPECISA-N 1 0 381.723 2.520 20 0 GFADRO C[C@@H]1C[NH2+]CC[C@H]1NS(=O)(=O)Cc1ccc(Br)cc1Cl ZINC000647287288 565654327 /nfs/dbraw/zinc/65/43/27/565654327.db2.gz YXDFBGBYXQDALP-NOZJJQNGSA-N 1 0 381.723 2.520 20 0 GFADRO CCOC(=O)C(C)(C)CCC[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1NS(C)(=O)=O ZINC000599072955 565655652 /nfs/dbraw/zinc/65/56/52/565655652.db2.gz MEXKNORDEVBTOZ-BZUAXINKSA-N 1 0 376.563 2.585 20 0 GFADRO CS(=O)(=O)[C@H]1CCC[C@H]([NH2+][C@@H]2Cc3ccccc3O[C@H]2C(F)(F)F)C1 ZINC000625744667 565656497 /nfs/dbraw/zinc/65/64/97/565656497.db2.gz PRRSAJIZLIWEJR-TTZDDIAXSA-N 1 0 377.428 2.866 20 0 GFADRO O=S(=O)(c1cc(Br)ccc1F)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000647323421 565658261 /nfs/dbraw/zinc/65/82/61/565658261.db2.gz ICKXYPUCBMVRED-RYUDHWBXSA-N 1 0 391.306 2.598 20 0 GFADRO O=C(CC[NH2+][C@]1(CO)CCc2cc(Br)ccc2C1)NC1CCCC1 ZINC000625793972 565659871 /nfs/dbraw/zinc/65/98/71/565659871.db2.gz AQQCQZKYNMGHGE-LJQANCHMSA-N 1 0 395.341 2.707 20 0 GFADRO C[NH2+]CCOCCN(C)C(=O)Nc1cc(Br)ccc1N1CCCC1 ZINC000625869154 565663376 /nfs/dbraw/zinc/66/33/76/565663376.db2.gz YINDBBUFNPKFRB-UHFFFAOYSA-N 1 0 399.333 2.749 20 0 GFADRO CN(CCOCC[NH3+])C(=O)Nc1cc(Br)cc(C(F)(F)F)c1 ZINC000625864827 565663571 /nfs/dbraw/zinc/66/35/71/565663571.db2.gz LZCHRJDLKHCZKJ-UHFFFAOYSA-N 1 0 384.196 2.907 20 0 GFADRO CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N[C@H](C)Cc2ccc(Cl)cc2Cl)C1 ZINC000668722631 565663874 /nfs/dbraw/zinc/66/38/74/565663874.db2.gz ZTPWGPXVTXXNPA-IUODEOHRSA-N 1 0 386.323 2.641 20 0 GFADRO Cc1c(Br)cccc1C[C@H](CO)C[NH2+]C[C@](C)(O)C(F)(F)F ZINC000647536929 565664123 /nfs/dbraw/zinc/66/41/23/565664123.db2.gz IJXDHLFEILMWNN-FZMZJTMJSA-N 1 0 384.236 2.811 20 0 GFADRO C[NH2+]Cc1cccc(NC(=O)NCc2cc(Br)cnc2OC)c1 ZINC000625895920 565665408 /nfs/dbraw/zinc/66/54/08/565665408.db2.gz KJIQAJSZUSUBRM-UHFFFAOYSA-N 1 0 379.258 2.894 20 0 GFADRO Cc1cc(Br)ccc1[C@H]1CCC[N@H+]1CCN1C(=O)N[C@@H](C)C1=O ZINC000626010564 565671382 /nfs/dbraw/zinc/67/13/82/565671382.db2.gz WKESRXVKVIDENH-SWLSCSKDSA-N 1 0 380.286 2.835 20 0 GFADRO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)c1cnn(-c2cccc(Br)c2)c1 ZINC000647833645 565679474 /nfs/dbraw/zinc/67/94/74/565679474.db2.gz QJJXKIIHVGZQEK-MLGOLLRUSA-N 1 0 377.286 2.799 20 0 GFADRO CC(=O)NC[C@H]1CCCC[N@@H+]1C[C@H](O)COc1ccc(Cl)cc1Cl ZINC000626154474 565679512 /nfs/dbraw/zinc/67/95/12/565679512.db2.gz PPRAKTNZIBYKFY-CABCVRRESA-N 1 0 375.296 2.724 20 0 GFADRO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)c1nn(-c2ccc(F)cc2)cc1Br ZINC000647832569 565679539 /nfs/dbraw/zinc/67/95/39/565679539.db2.gz BIAYKTJHKKFDBY-IAQYHMDHSA-N 1 0 395.276 2.939 20 0 GFADRO C[C@@H]1[C@@H]([NH+](C)C)CCN1S(=O)(=O)c1c(Cl)cc(F)cc1Br ZINC000647889006 565680748 /nfs/dbraw/zinc/68/07/48/565680748.db2.gz TWPQXFUJCPNXFK-PELKAZGASA-N 1 0 399.713 2.955 20 0 GFADRO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]([C@H](C)c2ccc(OC(F)(F)F)cc2)C1 ZINC000626168773 565680666 /nfs/dbraw/zinc/68/06/66/565680666.db2.gz ZHVRLEQRJXEWEJ-CHWSQXEVSA-N 1 0 380.432 2.907 20 0 GFADRO C[C@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)N1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000647861629 565681136 /nfs/dbraw/zinc/68/11/36/565681136.db2.gz DHKXWUZQKSRWJV-RBZYPMLTSA-N 1 0 379.810 2.734 20 0 GFADRO O=C(NCC[N@H+]1CC[C@@H](O)C1)Nc1ccc(Br)c(C(F)(F)F)c1 ZINC000626209726 565684075 /nfs/dbraw/zinc/68/40/75/565684075.db2.gz JOZXDVMCWVBGIC-SNVBAGLBSA-N 1 0 396.207 2.656 20 0 GFADRO C[C@@H](NC(=O)NC[C@@H]1CCCC[NH2+]1)c1cc2c(cc1Br)OCCO2 ZINC000669399041 565687242 /nfs/dbraw/zinc/68/72/42/565687242.db2.gz ATMSICCERNVNPR-NEPJUHHUSA-N 1 0 398.301 2.723 20 0 GFADRO COC[C@@]1(CO)CCN(Cc2cc(OC(F)F)ccc2Br)C1 ZINC000648041609 565688654 /nfs/dbraw/zinc/68/86/54/565688654.db2.gz YNFGAMWASKIOGS-HNNXBMFYSA-N 1 0 380.229 2.881 20 0 GFADRO O=C([C@H]1C[NH2+]CCC1(F)F)N1CCO[C@@H](c2cccc(Br)c2)C1 ZINC000648031219 565688951 /nfs/dbraw/zinc/68/89/51/565688951.db2.gz HMWHTNWSWMAWKL-ZIAGYGMSSA-N 1 0 389.240 2.594 20 0 GFADRO CC[C@@H]1CN(C(=O)N[C@@H]2CCN(c3ccc(Br)cc3)C2)CC[C@H]1[NH3+] ZINC000669458033 565689167 /nfs/dbraw/zinc/68/91/67/565689167.db2.gz KUCYKYDHROPTCV-FRFSOERESA-N 1 0 395.345 2.797 20 0 GFADRO COc1cc(Br)c(CN2CCOC3(CC[NH+](C)CC3)C2)c(OC)c1 ZINC000648071718 565690013 /nfs/dbraw/zinc/69/00/13/565690013.db2.gz QNCKSICIWVJWGL-UHFFFAOYSA-N 1 0 399.329 2.763 20 0 GFADRO O=C(CCOc1ccccc1Br)Nc1cnc2c(c1)C[NH2+]CC2 ZINC000648106643 565690942 /nfs/dbraw/zinc/69/09/42/565690942.db2.gz INFFSWUDWMBFSC-UHFFFAOYSA-N 1 0 376.254 2.897 20 0 GFADRO C[C@H](CNC(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1)Oc1ccc(Br)cc1 ZINC000669506306 565691463 /nfs/dbraw/zinc/69/14/63/565691463.db2.gz MQGVGADISKONJT-WWGRRREGSA-N 1 0 382.302 2.610 20 0 GFADRO CC[C@@H]1CN(C(=O)CCNC(=O)Nc2ccc(Br)cc2)CC[C@@H]1[NH3+] ZINC000648124767 565691448 /nfs/dbraw/zinc/69/14/48/565691448.db2.gz BZBJMTTVRDSPRH-DOMZBBRYSA-N 1 0 397.317 2.547 20 0 GFADRO O=C(NC[C@H]1CCCC[NH2+]1)N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000669553904 565692309 /nfs/dbraw/zinc/69/23/09/565692309.db2.gz QZGIJSZCWLZHKW-IAQYHMDHSA-N 1 0 385.295 2.540 20 0 GFADRO O=C(NCCc1c[nH]c2ccc(Br)cc12)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000669557377 565692767 /nfs/dbraw/zinc/69/27/67/565692767.db2.gz RCCMDHHQEZZKRQ-CZUORRHYSA-N 1 0 391.313 2.866 20 0 GFADRO COC(=O)c1cc(Br)ccc1NC(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000599603497 565692826 /nfs/dbraw/zinc/69/28/26/565692826.db2.gz XMGAGUVNNCVCKF-CALCHBBNSA-N 1 0 396.285 2.699 20 0 GFADRO CCN(CC[NH3+])C(=O)Nc1nc2ccc(I)cc2s1 ZINC000599607539 565692888 /nfs/dbraw/zinc/69/28/88/565692888.db2.gz ZJZCWSAYQVHGHU-UHFFFAOYSA-N 1 0 390.250 2.713 20 0 GFADRO [NH3+]Cc1ccc(CNC(=O)Cc2cc3c(cc2Br)OCCO3)cc1 ZINC000648202478 565693500 /nfs/dbraw/zinc/69/35/00/565693500.db2.gz ZLFWERQMCGUGSG-UHFFFAOYSA-N 1 0 391.265 2.538 20 0 GFADRO COC(=O)c1cnc(CN[C@@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)cn1 ZINC000599628513 565694039 /nfs/dbraw/zinc/69/40/39/565694039.db2.gz UNEKJWWLFJUVPL-INIZCTEOSA-N 1 0 383.279 2.963 20 0 GFADRO COCC[N@@H+]1CCC[C@H](NC(=O)c2c(C)c(C)sc2Br)C1 ZINC000669602389 565696197 /nfs/dbraw/zinc/69/61/97/565696197.db2.gz YETRVYGLJSZUQV-LBPRGKRZSA-N 1 0 375.332 2.968 20 0 GFADRO CS[C@@H]1CN(C(=O)[C@@H]2[C@@H]3Cc4c(cccc4Br)[C@@H]32)C[C@@H]1[NH+](C)C ZINC000599714988 565697284 /nfs/dbraw/zinc/69/72/84/565697284.db2.gz MYGDIPIOUBIFQQ-LMLQULGWSA-N 1 0 395.366 2.839 20 0 GFADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)Nc1cc(Cl)c(Cl)cc1F ZINC000626553608 565700485 /nfs/dbraw/zinc/70/04/85/565700485.db2.gz VFXOOFWDJANZHF-ZDUSSCGKSA-N 1 0 377.247 2.594 20 0 GFADRO Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000669792058 565702639 /nfs/dbraw/zinc/70/26/39/565702639.db2.gz PIWHSHPJGNVLHY-CYBMUJFWSA-N 1 0 379.306 2.637 20 0 GFADRO COc1cc(Br)c(C(=O)N[C@@H](C)C2CC[NH+](C)CC2)cc1OC ZINC000648323126 565702757 /nfs/dbraw/zinc/70/27/57/565702757.db2.gz KGAGPRQFBZJLSC-NSHDSACASA-N 1 0 385.302 2.926 20 0 GFADRO CN(C(=O)C1=Cc2cc(Br)ccc2OC1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000599870623 565704333 /nfs/dbraw/zinc/70/43/33/565704333.db2.gz UKLKHTVAZJWGHR-MRXNPFEDSA-N 1 0 377.282 2.920 20 0 GFADRO Cc1ncc([C@H](C)[NH2+]CCNS(=O)(=O)c2ccc(F)cc2Cl)s1 ZINC000669852019 565705705 /nfs/dbraw/zinc/70/57/05/565705705.db2.gz XEFWYDPUTUYLEV-VIFPVBQESA-N 1 0 377.894 2.873 20 0 GFADRO CS(=O)(=O)N1CC[C@@H](C[N@@H+]2CCC[C@@H](c3nc4ccccc4s3)C2)C1 ZINC000669931223 565707964 /nfs/dbraw/zinc/70/79/64/565707964.db2.gz MSHFIIHFZPIKKT-LSDHHAIUSA-N 1 0 379.551 2.757 20 0 GFADRO C[C@@H]([NH2+]CC(=O)NCC(=O)Nc1ccccc1Br)c1ccsc1 ZINC000669937873 565708192 /nfs/dbraw/zinc/70/81/92/565708192.db2.gz WPXMZSZAYZWOQP-LLVKDONJSA-N 1 0 396.310 2.916 20 0 GFADRO Cc1sc(CNC(=O)N(C)CCOCC[NH3+])nc1-c1ccc(Cl)cc1 ZINC000626947795 565716025 /nfs/dbraw/zinc/71/60/25/565716025.db2.gz YKAFWTYLDLQJKL-UHFFFAOYSA-N 1 0 382.917 2.889 20 0 GFADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+][C@H]1CC[C@@H](CO)CC1 ZINC000648481782 565716452 /nfs/dbraw/zinc/71/64/52/565716452.db2.gz JBLAYMNHCMFCCI-IOASZLSFSA-N 1 0 399.329 2.603 20 0 GFADRO C[C@H]1CC[C@@H](NC(=O)NCc2cc(Br)ccc2OC(F)F)C[NH2+]1 ZINC000626961881 565716731 /nfs/dbraw/zinc/71/67/31/565716731.db2.gz KHXKNGVGBOIOFQ-JOYOIKCWSA-N 1 0 392.244 2.990 20 0 GFADRO C[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc(-c3ccc(Cl)s3)nc2)C1 ZINC000670196693 565718266 /nfs/dbraw/zinc/71/82/66/565718266.db2.gz DJLJWWGZYLSGMB-LBPRGKRZSA-N 1 0 378.885 2.612 20 0 GFADRO CC(C)(C)c1nnc(CNC(=O)N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)s1 ZINC000626999278 565718652 /nfs/dbraw/zinc/71/86/52/565718652.db2.gz FLLFNQFWAHLPQZ-ZJUUUORDSA-N 1 0 379.452 2.504 20 0 GFADRO CN(CCOCC[NH3+])C(=O)NCC1(c2cccc(Br)c2)CCCC1 ZINC000627003194 565718686 /nfs/dbraw/zinc/71/86/86/565718686.db2.gz IWUIHFWTMVLVBU-UHFFFAOYSA-N 1 0 398.345 2.878 20 0 GFADRO O=C(NC[C@H]1COCC[NH2+]1)N[C@H]1CCCCc2cc(Br)ccc21 ZINC000627117534 565723034 /nfs/dbraw/zinc/72/30/34/565723034.db2.gz HNYBYNDLMNQUNM-HOCLYGCPSA-N 1 0 382.302 2.504 20 0 GFADRO C[NH+](C)C1CC(NC(=O)[C@@H](c2ccc(Br)cc2)N2CCCC2)C1 ZINC000670446464 565724413 /nfs/dbraw/zinc/72/44/13/565724413.db2.gz YFVGUGGXSSYORX-OFLPRAFFSA-N 1 0 380.330 2.795 20 0 GFADRO C[NH2+]CCOCCNC(=O)N1CCC[C@@H]1c1cc(F)cc(Br)c1 ZINC000627173714 565725308 /nfs/dbraw/zinc/72/53/08/565725308.db2.gz GRCZZMZELBOCLZ-OAHLLOKOSA-N 1 0 388.281 2.671 20 0 GFADRO C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)c1cc2c(cc1Br)OCCO2 ZINC000648742105 565725472 /nfs/dbraw/zinc/72/54/72/565725472.db2.gz NNVGLDNGFIWXJB-IJLUTSLNSA-N 1 0 383.286 2.738 20 0 GFADRO CC[C@H](CN(C)C(=O)NC[C@H]1COCC[NH2+]1)Oc1ccc(Cl)c(Cl)c1 ZINC000627188120 565726294 /nfs/dbraw/zinc/72/62/94/565726294.db2.gz LLBGCWPQKZJMDR-QWHCGFSZSA-N 1 0 390.311 2.781 20 0 GFADRO Cc1ccccc1C[N@H+]1CCCN(C(=O)c2c(Br)cnn2C)CC1 ZINC000648766044 565726776 /nfs/dbraw/zinc/72/67/76/565726776.db2.gz XDKDZZZEOCLJIM-UHFFFAOYSA-N 1 0 391.313 2.839 20 0 GFADRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCc2[nH]c3c(cccc3Br)c2C1 ZINC000627237964 565727437 /nfs/dbraw/zinc/72/74/37/565727437.db2.gz MSCNNNAWWXNVBL-IINYFYTJSA-N 1 0 377.286 2.749 20 0 GFADRO C[C@H](CC(=O)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1)c1ccc(Br)cc1 ZINC000627261206 565728189 /nfs/dbraw/zinc/72/81/89/565728189.db2.gz VULMFDVCXSIPHV-XOKHGSTOSA-N 1 0 381.314 2.610 20 0 GFADRO O=C(c1ccc(Br)c(Cl)c1F)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000627264160 565730116 /nfs/dbraw/zinc/73/01/16/565730116.db2.gz PAVFTTRKVBOJQU-UWVGGRQHSA-N 1 0 391.668 2.523 20 0 GFADRO O=C(COc1c(Cl)cc(Cl)cc1Cl)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000627269823 565730294 /nfs/dbraw/zinc/73/02/94/565730294.db2.gz YJTXMOIPPSEWAR-RYUDHWBXSA-N 1 0 393.698 2.693 20 0 GFADRO O=C(c1cc(Cl)c(Br)cc1F)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000627269384 565730643 /nfs/dbraw/zinc/73/06/43/565730643.db2.gz RKQZAGZADOLVOE-VHSXEESVSA-N 1 0 391.668 2.523 20 0 GFADRO CN(C(=O)c1cnn(-c2ccc(Br)cc2)c1)[C@H]1C[NH+]2CCC1CC2 ZINC000600516799 565734995 /nfs/dbraw/zinc/73/49/95/565734995.db2.gz ONAGKMURYVUPFP-KRWDZBQOSA-N 1 0 389.297 2.801 20 0 GFADRO CC(C)[N@@H+]1CCC[C@H](NC(=O)c2c3ccc(Br)cc3nn2C)C1 ZINC000648863407 565735206 /nfs/dbraw/zinc/73/52/06/565735206.db2.gz AXRUMKYSCVAPTP-ZDUSSCGKSA-N 1 0 379.302 2.938 20 0 GFADRO C[C@@H]1[C@H](C(=O)N2CCO[C@H](c3ccc(F)c(Br)c3)C2)CC[N@@H+]1C ZINC000648865085 565735251 /nfs/dbraw/zinc/73/52/51/565735251.db2.gz UXYNEQAKXZWGDF-KFNAQCHYSA-N 1 0 385.277 2.828 20 0 GFADRO CC[NH+](CC)CCOCCNC(=O)[C@H]1CCc2cc(Br)ccc21 ZINC000648860773 565735457 /nfs/dbraw/zinc/73/54/57/565735457.db2.gz YVXFRVTXSPTWCW-KRWDZBQOSA-N 1 0 383.330 2.954 20 0 GFADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)NCCSc1ccc(Cl)cc1 ZINC000670677705 565736176 /nfs/dbraw/zinc/73/61/76/565736176.db2.gz KIQBSCCILLPYIH-HNNXBMFYSA-N 1 0 383.945 2.539 20 0 GFADRO Cn1ccnc1[C@@H]1C[C@H]([NH2+]Cc2cnc3ccc(Br)cn23)CCO1 ZINC000648870283 565736773 /nfs/dbraw/zinc/73/67/73/565736773.db2.gz VUEGMAHIWNBGEH-HIFRSBDPSA-N 1 0 390.285 2.840 20 0 GFADRO CC(=O)NCCN(Cc1ccc(Cl)cc1Cl)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000648892750 565737435 /nfs/dbraw/zinc/73/74/35/565737435.db2.gz QTDUQFLSGZKXEY-MLGOLLRUSA-N 1 0 386.323 2.798 20 0 GFADRO C[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)c1ccc(Br)cc1OCCCO ZINC000648909925 565738195 /nfs/dbraw/zinc/73/81/95/565738195.db2.gz PIYQVBYKTYPHQF-WOSRLPQWSA-N 1 0 399.329 2.728 20 0 GFADRO C[C@@H](CC(=O)N1CC[N@@H+](C2CCC2)C[C@@H](C)C1)n1cc(Br)cn1 ZINC000648911938 565738438 /nfs/dbraw/zinc/73/84/38/565738438.db2.gz WUXOCROUOIDHIX-KGLIPLIRSA-N 1 0 383.334 2.930 20 0 GFADRO O=C(N[C@@H]1CCC[N@@H+](CCCO)C1)c1cc2c(cncc2Br)s1 ZINC000648918320 565739842 /nfs/dbraw/zinc/73/98/42/565739842.db2.gz SAJVJAKKOVNEIJ-LLVKDONJSA-N 1 0 398.326 2.635 20 0 GFADRO Cc1sc2nc(C)nc(SCC(=O)N3C[C@H]4[C@@H](C3)[C@@H]4[NH+](C)C)c2c1C ZINC000627645130 565745055 /nfs/dbraw/zinc/74/50/55/565745055.db2.gz QLWIUMRTARCHDV-VIKVFOODSA-N 1 0 376.551 2.727 20 0 GFADRO Cc1nc(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)nn1-c1c(Cl)cccc1Cl ZINC000627649965 565745456 /nfs/dbraw/zinc/74/54/56/565745456.db2.gz RZUZVQPFNSCVQH-YABSGUDNSA-N 1 0 380.279 2.515 20 0 GFADRO C[NH2+]CCOCCN(C)Cc1cc(Cl)ccc1I ZINC000600729268 565747199 /nfs/dbraw/zinc/74/71/99/565747199.db2.gz UVOCPFIIAFACFD-UHFFFAOYSA-N 1 0 382.673 2.612 20 0 GFADRO C[C@@H](Oc1ccccc1Br)C(=O)N1CCOC2(CC[NH+](C)CC2)C1 ZINC000649132920 565751052 /nfs/dbraw/zinc/75/10/52/565751052.db2.gz UAECZKQYCIICRP-CQSZACIVSA-N 1 0 397.313 2.540 20 0 GFADRO COC(=O)C[C@H](NC(=O)C[N@H+](C)C1CCC1)c1ccc(Br)cc1 ZINC000600815668 565751410 /nfs/dbraw/zinc/75/14/10/565751410.db2.gz WDSOFZYEEMGYEQ-HNNXBMFYSA-N 1 0 383.286 2.654 20 0 GFADRO O=C(NCc1c(Cl)cccc1Cl)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000671030182 565751757 /nfs/dbraw/zinc/75/17/57/565751757.db2.gz QKHMUDDUUJFTFH-CYBMUJFWSA-N 1 0 384.307 2.696 20 0 GFADRO Cc1ccc(Br)c(NC(=O)C(=O)NC[C@H]2CCCC[N@@H+](C)C2)c1 ZINC000627827098 565754467 /nfs/dbraw/zinc/75/44/67/565754467.db2.gz PYQHRGUCCIXMLV-CYBMUJFWSA-N 1 0 382.302 2.544 20 0 GFADRO Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)N(C)CCN1CC[NH2+]CC1 ZINC000649271594 565757600 /nfs/dbraw/zinc/75/76/00/565757600.db2.gz NUURDKUADIWFEM-UHFFFAOYSA-N 1 0 378.929 2.749 20 0 GFADRO O=C(NC[C@H]1CC[N@@H+]1C1CCCC1)C(=O)Nc1ccc(F)cc1Br ZINC000627906144 565761365 /nfs/dbraw/zinc/76/13/65/565761365.db2.gz JVEWRAHZVGZAKB-CYBMUJFWSA-N 1 0 398.276 2.660 20 0 GFADRO Cc1cc(Br)c(F)c(C(=O)N2CCOC3(CC[NH+](C)CC3)C2)c1 ZINC000627965707 565765649 /nfs/dbraw/zinc/76/56/49/565765649.db2.gz AAASJNSHUGPTGA-UHFFFAOYSA-N 1 0 385.277 2.833 20 0 GFADRO C[C@@H]([NH2+]Cc1ccc(Cl)c(S(N)(=O)=O)c1)c1ccc([S@@](C)=O)cc1 ZINC000601113964 565766703 /nfs/dbraw/zinc/76/67/03/565766703.db2.gz KPBBSNXLJXHUNA-QVQLBTGDSA-N 1 0 386.926 2.576 20 0 GFADRO CCOC(=O)CCSCC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000601095634 565767229 /nfs/dbraw/zinc/76/72/29/565767229.db2.gz FKKBBKPITNCDEU-UHFFFAOYSA-N 1 0 382.551 2.860 20 0 GFADRO C[C@@H](NC(=O)C[NH+]1CCC([C@H](C)CO)CC1)c1ccc(Br)cc1 ZINC000649804797 565779683 /nfs/dbraw/zinc/77/96/83/565779683.db2.gz ILWOHQBLCHTVOT-ZIAGYGMSSA-N 1 0 383.330 2.967 20 0 GFADRO O=S1(=O)CCCN1[C@@H]1CCC[N@@H+](CCc2cccc(C(F)(F)F)c2)C1 ZINC000628254948 565780848 /nfs/dbraw/zinc/78/08/48/565780848.db2.gz VYOPPBZQGYNECQ-MRXNPFEDSA-N 1 0 376.444 2.748 20 0 GFADRO C[NH+](C)C[C@H]1CN(C(=O)c2nscc2Br)c2ccccc2O1 ZINC000649840680 565781124 /nfs/dbraw/zinc/78/11/24/565781124.db2.gz VGHLNPFTPYMRMT-JTQLQIEISA-N 1 0 382.283 2.875 20 0 GFADRO Cc1cc(Cl)ccc1S(=O)(=O)NCC[NH2+][C@@H]1CCCc2cccnc21 ZINC000671770498 565785465 /nfs/dbraw/zinc/78/54/65/565785465.db2.gz VWBBPJLMSFHXIP-MRXNPFEDSA-N 1 0 379.913 2.989 20 0 GFADRO C[N@@H+]1CCC[C@]2(CCN(S(=O)(=O)c3cc(C(F)(F)F)ccc3[O-])C2)C1 ZINC000650019997 565792635 /nfs/dbraw/zinc/79/26/35/565792635.db2.gz GURLWNIZNWGPLO-HNNXBMFYSA-N 1 0 378.416 2.517 20 0 GFADRO CNS(=O)(=O)C[C@H]1CCC[N@H+](C[C@@H](C)c2cccc(Br)c2)C1 ZINC000628496110 565792678 /nfs/dbraw/zinc/79/26/78/565792678.db2.gz IUYMAEQGFCWQBZ-KGLIPLIRSA-N 1 0 389.359 2.814 20 0 GFADRO CC(C)(C)[N@@H+]1CCc2nc(NC(=O)c3coc(S(C)(=O)=O)c3)sc2C1 ZINC000650111150 565798007 /nfs/dbraw/zinc/79/80/07/565798007.db2.gz XHWRHUNQTFXHRO-UHFFFAOYSA-N 1 0 383.495 2.549 20 0 GFADRO Cc1nc(CS(=O)(=O)NCC2([N@H+](C)Cc3ccccc3)CCC2)cs1 ZINC000650155404 565800988 /nfs/dbraw/zinc/80/09/88/565800988.db2.gz KQVLFBIFCBHDDM-UHFFFAOYSA-N 1 0 379.551 2.926 20 0 GFADRO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000672310592 565802276 /nfs/dbraw/zinc/80/22/76/565802276.db2.gz ADPHPWXTBSJAFK-CQSZACIVSA-N 1 0 384.307 2.552 20 0 GFADRO COCCOCCN1CCN(C(=O)Nc2cc(Cl)c(Cl)cc2F)CC1 ZINC000650176709 565802541 /nfs/dbraw/zinc/80/25/41/565802541.db2.gz QCALGNKARQLSSQ-UHFFFAOYSA-N 1 0 394.274 2.945 20 0 GFADRO Cc1nc2ccc(Br)cn2c1C(=O)NC[C@H]1CCCC[N@@H+](C)C1 ZINC000628755083 565806328 /nfs/dbraw/zinc/80/63/28/565806328.db2.gz TTXNFAJUDKDQJH-CYBMUJFWSA-N 1 0 379.302 2.867 20 0 GFADRO CC[C@H](C[NH+]1CCCC1)NS(=O)(=O)c1cc(C)cc(Br)c1 ZINC000672783499 565816612 /nfs/dbraw/zinc/81/66/12/565816612.db2.gz KEBCFTKCSGUYOI-CQSZACIVSA-N 1 0 375.332 2.910 20 0 GFADRO CC[NH+](CC)[C@H]1CCN(C(=O)c2cnc3ncc(Br)cc3c2)C1 ZINC000672805063 565818236 /nfs/dbraw/zinc/81/82/36/565818236.db2.gz FJRWUBVVABCJIJ-HNNXBMFYSA-N 1 0 377.286 2.949 20 0 GFADRO C[NH+](C)[C@]1(CNC(=O)c2cnc3ncc(Br)cc3c2)CCSC1 ZINC000672834109 565819076 /nfs/dbraw/zinc/81/90/76/565819076.db2.gz ASJLEVQVIOZZJE-INIZCTEOSA-N 1 0 395.326 2.559 20 0 GFADRO Cc1cc(Br)sc1S(=O)(=O)N1CCN(C)c2cc[nH+]cc21 ZINC000650455426 565823961 /nfs/dbraw/zinc/82/39/61/565823961.db2.gz YQIGHXAPBJAPOL-UHFFFAOYSA-N 1 0 388.312 2.859 20 0 GFADRO C[C@@H](Sc1ccnc2cc(Cl)ccc21)C(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000629172277 565826701 /nfs/dbraw/zinc/82/67/01/565826701.db2.gz CECKIYSSPIGJEM-TZMCWYRMSA-N 1 0 379.913 2.552 20 0 GFADRO C[C@H](NC(=O)C(C)(C)S(=O)(=O)c1ccc(Cl)cc1)C1CC[NH+](C)CC1 ZINC000673186577 565829599 /nfs/dbraw/zinc/82/95/99/565829599.db2.gz XZTFXYUVEVLLQP-ZDUSSCGKSA-N 1 0 386.945 2.739 20 0 GFADRO Cc1cc(Br)sc1S(=O)(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000651561660 565872820 /nfs/dbraw/zinc/87/28/20/565872820.db2.gz SZZNGTJAXDJPKJ-NSHDSACASA-N 1 0 381.361 2.781 20 0 GFADRO NC(=O)[C@H]([NH2+]C[C@@H]1Cc2ccccc2CO1)c1cccc(Br)c1 ZINC000629250560 565832915 /nfs/dbraw/zinc/83/29/15/565832915.db2.gz XYTOTUNHRUWEDT-DLBZAZTESA-N 1 0 375.266 2.707 20 0 GFADRO C[C@]1(NC(=O)CCn2cc(Br)cn2)CC[N@H+](Cc2ccccc2)C1 ZINC000650862266 565837421 /nfs/dbraw/zinc/83/74/21/565837421.db2.gz UPHGSMBJOHFUNC-SFHVURJKSA-N 1 0 391.313 2.817 20 0 GFADRO C[C@@H](Cc1ccc(F)cc1Br)[NH2+]CCCN1CCCS1(=O)=O ZINC000673601501 565843126 /nfs/dbraw/zinc/84/31/26/565843126.db2.gz RYWFYQDYVNJMLY-LBPRGKRZSA-N 1 0 393.322 2.534 20 0 GFADRO CN(CC[C@H]1CCCC[N@@H+]1C)c1ccc(S(N)(=O)=O)c(C(F)(F)F)c1 ZINC000673697553 565844727 /nfs/dbraw/zinc/84/47/27/565844727.db2.gz RHXRQIKHUDFYDD-GFCCVEGCSA-N 1 0 379.448 2.663 20 0 GFADRO Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)cc1Br ZINC000673798701 565846985 /nfs/dbraw/zinc/84/69/85/565846985.db2.gz ITKLQGZGKMCMGZ-OAHLLOKOSA-N 1 0 380.330 2.656 20 0 GFADRO CC(C)C[N@H+](C)CCCNC(=O)N[C@@H](CO)c1cccc(Br)c1 ZINC000651193703 565849831 /nfs/dbraw/zinc/84/98/31/565849831.db2.gz FGSPDLBFBKAVHG-INIZCTEOSA-N 1 0 386.334 2.760 20 0 GFADRO CN(Cc1cccc(Br)c1)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000673869217 565851298 /nfs/dbraw/zinc/85/12/98/565851298.db2.gz NHOPVAMURJSEDF-UHFFFAOYSA-N 1 0 380.290 2.871 20 0 GFADRO COC(=O)c1cc(C[NH2+]C[C@H]2CCN(c3cccc(Br)c3)C2)on1 ZINC000602521481 565853085 /nfs/dbraw/zinc/85/30/85/565853085.db2.gz OYDMBCUZHURSKB-GFCCVEGCSA-N 1 0 394.269 2.840 20 0 GFADRO COC(=O)c1cc(C[NH2+]CCOc2ncc(C(F)(F)F)cc2Cl)on1 ZINC000602552114 565855294 /nfs/dbraw/zinc/85/52/94/565855294.db2.gz SLQYLDDLMJJJAC-UHFFFAOYSA-N 1 0 379.722 2.697 20 0 GFADRO Ic1ccc(C[NH2+]CCCOC[C@@H]2CCOC2)s1 ZINC000602553188 565855540 /nfs/dbraw/zinc/85/55/40/565855540.db2.gz AWBYXZFPYFMZDO-NSHDSACASA-N 1 0 381.279 2.886 20 0 GFADRO Ic1ccc(C[NH2+][C@@H]2CCO[C@]3(CCOC3)C2)s1 ZINC000602582170 565856671 /nfs/dbraw/zinc/85/66/71/565856671.db2.gz LXPQCOHDRWVISG-ZWNOBZJWSA-N 1 0 379.263 2.780 20 0 GFADRO CSCC[C@H]([NH3+])C(=O)N1CC2(CCOCC2)c2ccc(Br)cc21 ZINC000602582164 565856697 /nfs/dbraw/zinc/85/66/97/565856697.db2.gz OQKGSNCIVLQHIK-AWEZNQCLSA-N 1 0 399.354 2.924 20 0 GFADRO Brc1ccccc1C[C@@H]([NH2+]Cc1nnc2n1CCOC2)C1CC1 ZINC000651336571 565857909 /nfs/dbraw/zinc/85/79/09/565857909.db2.gz JSWXHZFXOSLITI-OAHLLOKOSA-N 1 0 377.286 2.682 20 0 GFADRO C[C@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH2+]C[C@@H]1COCCN1 ZINC000629533310 565858069 /nfs/dbraw/zinc/85/80/69/565858069.db2.gz TYGIDBUVEWONKO-ZYHUDNBSSA-N 1 0 379.810 2.654 20 0 GFADRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1c1ncnc2cc(Br)sc21 ZINC000651344448 565858940 /nfs/dbraw/zinc/85/89/40/565858940.db2.gz FPTGILJUPKCIAQ-SNVBAGLBSA-N 1 0 385.331 2.735 20 0 GFADRO C[C@H](C(=O)NCc1ccc(Cl)cc1)N1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629563280 565859352 /nfs/dbraw/zinc/85/93/52/565859352.db2.gz DNYZILPLERJPKN-KYOSRNDESA-N 1 0 377.838 2.804 20 0 GFADRO CC(C)(C)[C@H](O)C[C@@H](CO)[NH2+]Cc1ccc(I)s1 ZINC000602653150 565860524 /nfs/dbraw/zinc/86/05/24/565860524.db2.gz MYRNHURVNWPQMN-GXSJLCMTSA-N 1 0 383.295 2.600 20 0 GFADRO C[C@@H]([NH2+]CCn1cc(Br)ccc1=O)c1ccc2[nH]c(=O)oc2c1 ZINC000651374189 565861186 /nfs/dbraw/zinc/86/11/86/565861186.db2.gz QEKLUOJJOKQJEY-SNVBAGLBSA-N 1 0 378.226 2.808 20 0 GFADRO O[C@@H](C[NH2+]C[C@@H]1Cc2ccccc2CO1)COc1cccc(Br)c1 ZINC000629587824 565861668 /nfs/dbraw/zinc/86/16/68/565861668.db2.gz VHZYZKNPFBTBQC-HKUYNNGSSA-N 1 0 392.293 2.920 20 0 GFADRO C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H](CCO)c1cc(Cl)cc(Cl)c1 ZINC000629588122 565861692 /nfs/dbraw/zinc/86/16/92/565861692.db2.gz HXNSFSYUMZVXAL-WBMJQRKESA-N 1 0 375.296 2.501 20 0 GFADRO C[C@]12C[NH2+]C[C@@]1(C)CN([C@H]1CCc3cc(Br)ccc3NC1=O)C2 ZINC000629596454 565861719 /nfs/dbraw/zinc/86/17/19/565861719.db2.gz ZWGRIAKWEMJVAC-RYQLBKOJSA-N 1 0 378.314 2.634 20 0 GFADRO O[C@H](C[NH2+]CC[C@H]1CCCOC1)COc1cc(F)cc(Br)c1 ZINC000629589596 565861738 /nfs/dbraw/zinc/86/17/38/565861738.db2.gz WKAKRUUEWQRLCC-IUODEOHRSA-N 1 0 376.266 2.734 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)c(C)c1CNCC1([NH3+])CCOCC1 ZINC000629654594 565865381 /nfs/dbraw/zinc/86/53/81/565865381.db2.gz MXPVDSFWSRFKPC-UHFFFAOYSA-N 1 0 393.329 2.849 20 0 GFADRO COc1c(Br)c(C)sc1C(=O)NCC[NH+]1CCC(OC)CC1 ZINC000674324204 565868776 /nfs/dbraw/zinc/86/87/76/565868776.db2.gz BEYIUWRQFDORLR-UHFFFAOYSA-N 1 0 391.331 2.668 20 0 GFADRO C[NH+](C)CCOc1ccccc1CNS(=O)(=O)c1ccc(Cl)c(F)c1 ZINC000651541731 565870206 /nfs/dbraw/zinc/87/02/06/565870206.db2.gz FNIVNPSYFALOCF-UHFFFAOYSA-N 1 0 386.876 2.898 20 0 GFADRO O=S(=O)(c1ccc(Cl)c(F)c1)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000651541973 565870580 /nfs/dbraw/zinc/87/05/80/565870580.db2.gz PJNMVQDXSQFPOQ-UHFFFAOYSA-N 1 0 390.908 2.602 20 0 GFADRO C[N@H+](CC(=O)N1CCO[C@H](c2ccc(F)c(Br)c2)C1)C1CCC1 ZINC000629986178 565877687 /nfs/dbraw/zinc/87/76/87/565877687.db2.gz ZZQDOHOZRICOTI-INIZCTEOSA-N 1 0 385.277 2.972 20 0 GFADRO CC[N@@H+]1CC[C@H]2OCCN(S(=O)(=O)Cc3cc(Cl)sc3Cl)[C@H]2C1 ZINC000651717916 565888697 /nfs/dbraw/zinc/88/86/97/565888697.db2.gz WURWZYZCYNDDJW-NWDGAFQWSA-N 1 0 399.365 2.680 20 0 GFADRO CC[C@H]([NH3+])c1cn(CCCOc2cccc(I)c2)nn1 ZINC000603211179 565889675 /nfs/dbraw/zinc/88/96/75/565889675.db2.gz IVLGJFKQKQRALK-ZDUSSCGKSA-N 1 0 386.237 2.762 20 0 GFADRO CC[C@H](CCc1ccc(Br)cc1)[NH2+][C@@H]1CCN(S(C)(=O)=O)C1 ZINC000651921712 565903945 /nfs/dbraw/zinc/90/39/45/565903945.db2.gz UWPOPMWVGYIYSQ-HZPDHXFCSA-N 1 0 389.359 2.784 20 0 GFADRO O=C(CCCc1cccc(Br)c1)NCCC[NH+]1CCC(O)CC1 ZINC000675468337 565905132 /nfs/dbraw/zinc/90/51/32/565905132.db2.gz RQOJZVCZBUOTFP-UHFFFAOYSA-N 1 0 383.330 2.735 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)c2ncc(I)s2)C1 ZINC000603429858 565905235 /nfs/dbraw/zinc/90/52/35/565905235.db2.gz SIJFFBLDPJSNIY-SECBINFHSA-N 1 0 393.294 2.598 20 0 GFADRO C[N@@H+]1CCCN(CCCNC(=O)[C@H]2C[C@@H]2c2ccc(Br)cc2)CC1 ZINC000603811988 565915349 /nfs/dbraw/zinc/91/53/49/565915349.db2.gz BYNBFYNGACIBSZ-MSOLQXFVSA-N 1 0 394.357 2.696 20 0 GFADRO C[C@@H](NC(=O)NCCC1(C[NH3+])CC1)c1cc2c(cc1Br)OCCO2 ZINC000652135242 565916824 /nfs/dbraw/zinc/91/68/24/565916824.db2.gz KTPDDUXSUXYYRO-LLVKDONJSA-N 1 0 398.301 2.710 20 0 GFADRO O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc2cncc(Br)c2n1 ZINC000630762957 565919040 /nfs/dbraw/zinc/91/90/40/565919040.db2.gz RBLMAPBMLVPEDC-QWHCGFSZSA-N 1 0 375.270 2.749 20 0 GFADRO C[NH+](C)CCn1cc(C(=O)N2CCCc3cc(Br)ccc32)cn1 ZINC000630792336 565920515 /nfs/dbraw/zinc/92/05/15/565920515.db2.gz RWSYELHEEDDMOP-UHFFFAOYSA-N 1 0 377.286 2.800 20 0 GFADRO C[C@H](NC(=O)N[C@H](CO)c1cccc(Br)c1)C1CC[NH+](C)CC1 ZINC000675995955 565921420 /nfs/dbraw/zinc/92/14/20/565921420.db2.gz WRNWRQQWTJYFIT-BLLLJJGKSA-N 1 0 384.318 2.512 20 0 GFADRO O=C(NCCC1CC[NH2+]CC1)N1CCO[C@@H](c2cccc(Br)c2)C1 ZINC000652312038 565922090 /nfs/dbraw/zinc/92/20/90/565922090.db2.gz CYGXSBOGOIISDN-QGZVFWFLSA-N 1 0 396.329 2.922 20 0 GFADRO Cc1nocc1C(=O)Nc1cc(Br)ccc1N1CC[NH+](C)CC1 ZINC000630838668 565922873 /nfs/dbraw/zinc/92/28/73/565922873.db2.gz JMYFQQXKXLCADL-UHFFFAOYSA-N 1 0 379.258 2.750 20 0 GFADRO Cc1cc(Br)sc1S(=O)(=O)N1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000652372403 565924159 /nfs/dbraw/zinc/92/41/59/565924159.db2.gz JNPLOZKNQFMKDQ-MIMYLULJSA-N 1 0 381.361 2.813 20 0 GFADRO Cc1cc(Br)sc1S(=O)(=O)N(CC[NH3+])Cc1ccccc1 ZINC000652368770 565924269 /nfs/dbraw/zinc/92/42/69/565924269.db2.gz RPXONBGIWQASAS-UHFFFAOYSA-N 1 0 389.340 2.969 20 0 GFADRO Cc1cc(Br)sc1S(=O)(=O)N1C[C@@H]([NH3+])Cc2ccccc21 ZINC000652372515 565925019 /nfs/dbraw/zinc/92/50/19/565925019.db2.gz PWIGOPBHEACVIH-NSHDSACASA-N 1 0 387.324 2.898 20 0 GFADRO COc1cc(S(=O)(=O)N2CCC[C@@H](C)[C@H]2CC[NH3+])ccc1Br ZINC000652377304 565925486 /nfs/dbraw/zinc/92/54/86/565925486.db2.gz DQMCXBVIKABNTR-BXUZGUMPSA-N 1 0 391.331 2.596 20 0 GFADRO CC(C)(C)c1ccc(S(=O)(=O)N2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)s1 ZINC000652374568 565925845 /nfs/dbraw/zinc/92/58/45/565925845.db2.gz WCFQSMBBWKBGDS-RRFJBIMHSA-N 1 0 386.583 2.953 20 0 GFADRO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCN(S(=O)(=O)Cc3ccc(F)c(Cl)c3)C2)C1 ZINC000652374414 565925935 /nfs/dbraw/zinc/92/59/35/565925935.db2.gz QSTQOZICFDNRAC-JJRVBVJISA-N 1 0 390.908 2.527 20 0 GFADRO C[NH2+]Cc1ccccc1CNS(=O)(=O)c1ccc(Br)c(OC)c1 ZINC000652381701 565926478 /nfs/dbraw/zinc/92/64/78/565926478.db2.gz HTKPDEQFWJHASZ-UHFFFAOYSA-N 1 0 399.310 2.656 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)c(Br)c1 ZINC000652629109 565935873 /nfs/dbraw/zinc/93/58/73/565935873.db2.gz AVCARENTHHROOA-UGSOOPFHSA-N 1 0 394.313 2.592 20 0 GFADRO Cc1nc(S(=O)(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)sc1C ZINC000676416727 565936573 /nfs/dbraw/zinc/93/65/73/565936573.db2.gz RCPMLXUZXAFAKH-CXAGYDPISA-N 1 0 379.551 2.949 20 0 GFADRO C[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)NCCC1CC[NH2+]CC1 ZINC000652680425 565937003 /nfs/dbraw/zinc/93/70/03/565937003.db2.gz DIQHKVTYGLGOIB-LBPRGKRZSA-N 1 0 386.323 2.547 20 0 GFADRO C[C@@H](COc1ccc(F)cc1F)[NH2+]Cc1ccc(Cl)c(S(N)(=O)=O)c1 ZINC000631050956 565937127 /nfs/dbraw/zinc/93/71/27/565937127.db2.gz NDFANKYRNVGSDB-JTQLQIEISA-N 1 0 390.839 2.823 20 0 GFADRO C[C@@H](C[NH2+]Cc1ccc(Cl)c(S(N)(=O)=O)c1)N(C)Cc1ccccc1 ZINC000631068637 565937922 /nfs/dbraw/zinc/93/79/22/565937922.db2.gz FSRSQMPWNWAZDQ-AWEZNQCLSA-N 1 0 381.929 2.598 20 0 GFADRO C[C@@H](C[NH2+]Cc1cn(C[C@@H]2CCOC2)nn1)Oc1ccc(Br)cc1 ZINC000631080942 565938100 /nfs/dbraw/zinc/93/81/00/565938100.db2.gz CPXDJJIUTDICJU-KBPBESRZSA-N 1 0 395.301 2.634 20 0 GFADRO CC(C)(COc1ncccc1Br)[NH2+]C[C@@H]1CNc2ccnn2C1 ZINC000676495302 565941035 /nfs/dbraw/zinc/94/10/35/565941035.db2.gz OTAATPJGEVFCAM-LBPRGKRZSA-N 1 0 380.290 2.530 20 0 GFADRO NS(=O)(=O)c1cc(C[NH2+][C@@H]2CCOC3(CCSCC3)C2)ccc1Cl ZINC000631097693 565941185 /nfs/dbraw/zinc/94/11/85/565941185.db2.gz FHJHZPCSJAKALW-CYBMUJFWSA-N 1 0 390.958 2.522 20 0 GFADRO O=C(COc1ccccc1)N1CC[C@H]([NH2+]Cc2ccncc2Br)C1 ZINC000631130061 565942458 /nfs/dbraw/zinc/94/24/58/565942458.db2.gz UCHUMLRMWXTROT-HNNXBMFYSA-N 1 0 390.281 2.614 20 0 GFADRO O=C(c1cc(Cl)cc(Br)c1)N1CCN([C@@H]2CCC[C@H]2O)CC1 ZINC000676575144 565942323 /nfs/dbraw/zinc/94/23/23/565942323.db2.gz VAESPYIYBZTVGR-HUUCEWRRSA-N 1 0 387.705 2.774 20 0 GFADRO O=C(c1cc(Br)c2nccn2c1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000631148517 565944195 /nfs/dbraw/zinc/94/41/95/565944195.db2.gz FMLLCKYVOXLAPO-AWEZNQCLSA-N 1 0 377.286 2.797 20 0 GFADRO O=C(CSc1cccc2cccc(Cl)c21)N1CC(N2CC[C@@H](O)C2)C1 ZINC000652885839 565944711 /nfs/dbraw/zinc/94/47/11/565944711.db2.gz PWDJPPWXNHKTQT-OAHLLOKOSA-N 1 0 376.909 2.863 20 0 GFADRO COc1cc(C[NH2+]C[C@@H](n2cncn2)C(F)(F)F)cc(Br)c1O ZINC000631214157 565949387 /nfs/dbraw/zinc/94/93/87/565949387.db2.gz WMEGJVNJGIGWQG-LLVKDONJSA-N 1 0 395.179 2.648 20 0 GFADRO CC(=O)c1cc(Br)ccc1OCC(=O)N(C)CC[NH+]1CCCCC1 ZINC000652992511 565951357 /nfs/dbraw/zinc/95/13/57/565951357.db2.gz RMYGQOVOXCQEEA-UHFFFAOYSA-N 1 0 397.313 2.975 20 0 GFADRO O=C(NC[C@@H]1CCN(c2cccc(Br)c2)C1)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653112544 565955041 /nfs/dbraw/zinc/95/50/41/565955041.db2.gz AODGYMWVIUKYOT-KKXDTOCCSA-N 1 0 392.341 2.922 20 0 GFADRO O=C(NC[C@@H]1CCN(c2cccc(Br)c2)C1)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653112545 565955588 /nfs/dbraw/zinc/95/55/88/565955588.db2.gz AODGYMWVIUKYOT-MORSLUCNSA-N 1 0 392.341 2.922 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)N[C@H](CO)c2ccc(Br)cc2)c2nccn21 ZINC000653175620 565957289 /nfs/dbraw/zinc/95/72/89/565957289.db2.gz IAPBZZLIQYLYOK-DDTOSNHZSA-N 1 0 379.258 2.684 20 0 GFADRO O=C([C@@H]1C[NH2+]CCC1(F)F)N1CCN(c2cc(Cl)ccc2Cl)CC1 ZINC000653199064 565959220 /nfs/dbraw/zinc/95/92/20/565959220.db2.gz YHUHHQJSRDEUME-LBPRGKRZSA-N 1 0 378.250 2.887 20 0 GFADRO C[C@H]1CCCN(C(=O)c2c3ccc(Br)cc3nn2C)[C@H]1CC[NH3+] ZINC000653243782 565959747 /nfs/dbraw/zinc/95/97/47/565959747.db2.gz MYLZLMBMXZUVNQ-NHYWBVRUSA-N 1 0 379.302 2.925 20 0 GFADRO CCO[C@@H]1CN(C(=O)[C@@H](C)Sc2ccc(Br)cc2)C[C@H]1C[NH3+] ZINC000653245071 565960317 /nfs/dbraw/zinc/96/03/17/565960317.db2.gz KPQXVJORMAIXAR-LALPHHSUSA-N 1 0 387.343 2.752 20 0 GFADRO C[C@@H]1C[C@H]([NH3+])CCN1S(=O)(=O)Cc1ccc(Cl)cc1Br ZINC000653279256 565960945 /nfs/dbraw/zinc/96/09/45/565960945.db2.gz VHYZZVFUWWAEKW-BXKDBHETSA-N 1 0 381.723 2.744 20 0 GFADRO C[C@H]1C[C@H]([NH3+])CCN1S(=O)(=O)Cc1ccc(Br)cc1Cl ZINC000653279110 565961387 /nfs/dbraw/zinc/96/13/87/565961387.db2.gz FORJTMVSNGDDAU-JOYOIKCWSA-N 1 0 381.723 2.744 20 0 GFADRO COCC[NH2+]C1CCN(C(=O)c2c[nH]c3ccc(Br)cc32)CC1 ZINC000653348268 565964533 /nfs/dbraw/zinc/96/45/33/565964533.db2.gz BJJZXNZCBUHBSY-UHFFFAOYSA-N 1 0 380.286 2.771 20 0 GFADRO CC[N@@H+]1CCN(C(=O)Nc2ccn(-c3ccc(Br)cc3)n2)C[C@H]1C ZINC000653362960 565964789 /nfs/dbraw/zinc/96/47/89/565964789.db2.gz UNYQXYXZEDJMPZ-CYBMUJFWSA-N 1 0 392.301 2.615 20 0 GFADRO COC1CC[NH+](CCNC(=O)[C@@H]2C[C@]2(C)c2cccc(Br)c2)CC1 ZINC000631671888 565966097 /nfs/dbraw/zinc/96/60/97/565966097.db2.gz IMGQFDYIDQNBSC-PKOBYXMFSA-N 1 0 395.341 2.954 20 0 GFADRO C[C@H](Cn1ccnc1)NC(=O)N1CCOc2cccc(Br)c2C1 ZINC000653480023 565966788 /nfs/dbraw/zinc/96/67/88/565966788.db2.gz OHASXZOVKMIFNY-GFCCVEGCSA-N 1 0 379.258 2.638 20 0 GFADRO O=C(NCc1n[nH]cc1Br)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000606511119 565967588 /nfs/dbraw/zinc/96/75/88/565967588.db2.gz DYYQQIYDGCYNFL-INIZCTEOSA-N 1 0 392.301 2.809 20 0 GFADRO O=S(=O)(C[C@H]1CCC1(F)F)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000631847256 565977865 /nfs/dbraw/zinc/97/78/65/565977865.db2.gz QPRXVZUZCIEFRN-UONOGXRCSA-N 1 0 378.510 2.925 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)N(C)Cc2c(F)cccc2Cl)C[C@H]1C ZINC000607161333 565979829 /nfs/dbraw/zinc/97/98/29/565979829.db2.gz QFWSYJMMUGEIMJ-ZIAGYGMSSA-N 1 0 391.940 2.960 20 0 GFADRO CCC(C)(C)[NH+]1CCN(C[C@@H](O)COc2ccc(Br)cc2)CC1 ZINC000653807813 565984191 /nfs/dbraw/zinc/98/41/91/565984191.db2.gz FYXBVKFXXCTQHD-MRXNPFEDSA-N 1 0 385.346 2.995 20 0 GFADRO C[C@H](c1nnc(-c2ccc(Cl)cc2Cl)o1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000653827070 565984204 /nfs/dbraw/zinc/98/42/04/565984204.db2.gz SEOILPMWDOGHCJ-KGYLQXTDSA-N 1 0 383.279 2.855 20 0 GFADRO O=S(=O)(c1cscc1Br)N1CCCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000631943574 565984312 /nfs/dbraw/zinc/98/43/12/565984312.db2.gz ZZSBCUOYEBGAME-NEPJUHHUSA-N 1 0 379.345 2.806 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000677871829 565985283 /nfs/dbraw/zinc/98/52/83/565985283.db2.gz QPOIWIOJYOFVTP-AWEZNQCLSA-N 1 0 389.297 2.910 20 0 GFADRO CN(C1CC[NH2+]CC1)S(=O)(=O)NC(CCC(F)(F)F)CCC(F)(F)F ZINC000631951045 565985615 /nfs/dbraw/zinc/98/56/15/565985615.db2.gz AJPJUJWYEYUVOP-UHFFFAOYSA-N 1 0 399.401 2.558 20 0 GFADRO O=C(NCCN1C[C@H]2CC[C@@H](C1)O2)c1c[nH]c2ccc(Br)cc12 ZINC000653869626 565986185 /nfs/dbraw/zinc/98/61/85/565986185.db2.gz KYQPBPMGQBBSJX-BETUJISGSA-N 1 0 378.270 2.523 20 0 GFADRO C[NH+](C)C[C@H]1CCN(S(=O)(=O)c2ccc(C(F)(F)C(F)(F)F)cc2)C1 ZINC000631964340 565986865 /nfs/dbraw/zinc/98/68/65/565986865.db2.gz AXYLIXAWHXDUNH-LLVKDONJSA-N 1 0 386.386 2.913 20 0 GFADRO C[C@@H](O)C[N@H+](C[C@@H](O)COc1ccc(Cl)cc1Br)C1CC1 ZINC000653898963 565987293 /nfs/dbraw/zinc/98/72/93/565987293.db2.gz UQBPWTJPUGHBQA-ZWNOBZJWSA-N 1 0 378.694 2.687 20 0 GFADRO C[C@H]1C[C@@H](NC(=O)Cc2csc(NC(=O)c3cccs3)n2)CC[N@@H+]1C ZINC000607688305 565987803 /nfs/dbraw/zinc/98/78/03/565987803.db2.gz YQBZWJORJRXMFS-RYUDHWBXSA-N 1 0 378.523 2.598 20 0 GFADRO C[N@H+](CCN1C(=O)NC2(CCCC2)C1=O)Cc1cccc(Br)c1 ZINC000607727367 565988674 /nfs/dbraw/zinc/98/86/74/565988674.db2.gz NDNQCVFYTIGWGP-UHFFFAOYSA-N 1 0 380.286 2.746 20 0 GFADRO [NH3+]C[C@H]1Cc2ccccc2N(S(=O)(=O)Cc2cccc(Br)c2)C1 ZINC000631998284 565989720 /nfs/dbraw/zinc/98/97/20/565989720.db2.gz WTANPSPPKXMASQ-CQSZACIVSA-N 1 0 395.322 2.917 20 0 GFADRO CC[NH+](CC)CC1CCN(S(=O)(=O)c2ccc3[nH]c(=O)sc3c2)CC1 ZINC000632026936 565992604 /nfs/dbraw/zinc/99/26/04/565992604.db2.gz PKEZYHADECQYQO-UHFFFAOYSA-N 1 0 383.539 2.744 20 0 GFADRO C[C@H](C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1)c1ccc(Br)cc1 ZINC000678007355 565993380 /nfs/dbraw/zinc/99/33/80/565993380.db2.gz WANGQCITKHBFAT-YOEHRIQHSA-N 1 0 394.357 2.837 20 0 GFADRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)c2nn(-c3ccc(F)cc3)cc2Br)C1 ZINC000654067237 565994976 /nfs/dbraw/zinc/99/49/76/565994976.db2.gz LNXLQFMNSZCXBK-VDISTLRHSA-N 1 0 395.276 2.844 20 0 GFADRO CCCc1ccc(C(=O)N(CC[NH+](CC)CC)[C@@H]2CCS(=O)(=O)C2)s1 ZINC000632124988 566002024 /nfs/dbraw/zinc/00/20/24/566002024.db2.gz VKZJQXRZXMKALN-OAHLLOKOSA-N 1 0 386.583 2.672 20 0 GFADRO COCC[N@@H+]1CCC[C@H](NC(=O)[C@@H](C)c2ccc(Br)s2)C1 ZINC000608128714 566005257 /nfs/dbraw/zinc/00/52/57/566005257.db2.gz DAVZBAXXCSBQIU-RYUDHWBXSA-N 1 0 375.332 2.841 20 0 GFADRO Cc1cc(Cl)c(Br)cc1S(=O)(=O)NCc1nccn1C ZINC000632189606 566007578 /nfs/dbraw/zinc/00/75/78/566007578.db2.gz OGHRYMVENCCTEY-UHFFFAOYSA-N 1 0 378.679 2.623 20 0 GFADRO C[C@@H](CCNS(=O)(=O)Cc1ncsc1Br)[NH+]1CCCCC1 ZINC000632205084 566010543 /nfs/dbraw/zinc/01/05/43/566010543.db2.gz VFYDEYYMHRXIEW-NSHDSACASA-N 1 0 396.376 2.590 20 0 GFADRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)N[C@@H](CCO)c2ccccc2Br)C1 ZINC000654662682 566018701 /nfs/dbraw/zinc/01/87/01/566018701.db2.gz YRPVRIZUCNCSKW-ZENOOKHLSA-N 1 0 384.318 2.512 20 0 GFADRO O=C(C[NH2+]C1(c2ccc(Br)cc2)CC1)N1CCOC[C@H]1C1CC1 ZINC000678755231 566019261 /nfs/dbraw/zinc/01/92/61/566019261.db2.gz SQDSRAHLZLSTNQ-INIZCTEOSA-N 1 0 379.298 2.665 20 0 GFADRO C[NH+]1CCC(N(C[C@H](O)CC(C)(C)C)S(=O)(=O)CCC(C)(F)F)CC1 ZINC000632303137 566019208 /nfs/dbraw/zinc/01/92/08/566019208.db2.gz ADSGPGYXNRQGDZ-OAHLLOKOSA-N 1 0 384.533 2.555 20 0 GFADRO CC[C@@H]([NH2+]CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl)C1CCCCC1 ZINC000678895058 566024535 /nfs/dbraw/zinc/02/45/35/566024535.db2.gz KTPWZPLVOTWWBL-OAHLLOKOSA-N 1 0 387.933 2.874 20 0 GFADRO CC1(C)[C@H]([NH2+]CCS(=O)(=O)c2ccc(Br)cc2)[C@H]2CCO[C@@H]21 ZINC000678928842 566025536 /nfs/dbraw/zinc/02/55/36/566025536.db2.gz XXAQVKINEPQWIF-KFWWJZLASA-N 1 0 388.327 2.626 20 0 GFADRO O=S(=O)(Cc1ncsc1Br)NCCCCC[NH+]1CCCC1 ZINC000632371794 566026063 /nfs/dbraw/zinc/02/60/63/566026063.db2.gz OGDCZHCSXDOPEH-UHFFFAOYSA-N 1 0 396.376 2.591 20 0 GFADRO Cc1c([C@H](C)[NH2+]CCCn2cncn2)nnn1-c1cccc(Br)c1 ZINC000679034868 566027627 /nfs/dbraw/zinc/02/76/27/566027627.db2.gz BTIANGZMZSTLDG-LBPRGKRZSA-N 1 0 390.289 2.671 20 0 GFADRO C[C@H]([NH2+]C[C@H]1CCC[C@@]12NC(=O)N(C)C2=O)c1ccc(Br)c(F)c1 ZINC000679066104 566029443 /nfs/dbraw/zinc/02/94/43/566029443.db2.gz PTTRGUWDLPPAHK-GSDQYQHOSA-N 1 0 398.276 2.959 20 0 GFADRO O=C(Nc1ccc(F)c(Br)c1)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000654946727 566032013 /nfs/dbraw/zinc/03/20/13/566032013.db2.gz MJJKDYCWJZGGEW-HUUCEWRRSA-N 1 0 398.276 2.660 20 0 GFADRO CC[C@@H]1[C@@H](C(=O)NCCc2cn3cc(Br)cc(C)c3n2)CC[N@@H+]1C ZINC000632439915 566033859 /nfs/dbraw/zinc/03/38/59/566033859.db2.gz MNYAIEWHKRRTDA-JKSUJKDBSA-N 1 0 393.329 2.794 20 0 GFADRO CC(C)(CO)[NH+]1CCN(C(=O)CCc2nc3cc(Cl)ccc3s2)CC1 ZINC000679317967 566037168 /nfs/dbraw/zinc/03/71/68/566037168.db2.gz JJVOBVNVVBETTD-UHFFFAOYSA-N 1 0 381.929 2.797 20 0 GFADRO C[C@@H]1COCCN1CC[NH2+][C@@H](c1ccc(Br)cc1)[C@@H]1CCCO1 ZINC000679339399 566038206 /nfs/dbraw/zinc/03/82/06/566038206.db2.gz JGFFSEXICKXDLJ-JLSDUUJJSA-N 1 0 383.330 2.980 20 0 GFADRO CN1CCN(C)[C@H](C[NH2+][C@H](c2ccc(Br)cc2)[C@H]2CCCO2)C1 ZINC000679341644 566038633 /nfs/dbraw/zinc/03/86/33/566038633.db2.gz URYXAOCOPPEEBV-KZNAEPCWSA-N 1 0 382.346 2.505 20 0 GFADRO O=C(CCC[S@](=O)c1ccc(Br)cc1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000609548725 566044674 /nfs/dbraw/zinc/04/46/74/566044674.db2.gz ZXILSCSSVIPYIK-FATZIPQQSA-N 1 0 399.354 2.690 20 0 GFADRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)c1ccc(F)cc1I ZINC000609664506 566049063 /nfs/dbraw/zinc/04/90/63/566049063.db2.gz MAAUVYQVIYVLDS-LLVKDONJSA-N 1 0 390.240 2.844 20 0 GFADRO C[C@H](NC(=O)CCn1cc(Br)cn1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000679664796 566049262 /nfs/dbraw/zinc/04/92/62/566049262.db2.gz ITZODLFVJABRAM-UONOGXRCSA-N 1 0 383.334 2.805 20 0 GFADRO O=C([C@@H]1C[C@@]12CCC[NH2+]C2)N1CCO[C@H](c2cccc(Br)c2)C1 ZINC000655431233 566055746 /nfs/dbraw/zinc/05/57/46/566055746.db2.gz YIHBIKDCBUUTBB-XYJFISCASA-N 1 0 379.298 2.739 20 0 GFADRO O=C(Nc1cnn(-c2ccccc2Br)c1)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC000655471276 566058155 /nfs/dbraw/zinc/05/81/55/566058155.db2.gz KLXOYBBFVBPKNI-CXAGYDPISA-N 1 0 375.270 2.963 20 0 GFADRO CC[N@H+](CCNS(=O)(=O)Cc1cccc(Br)c1C)C1CC1 ZINC000655499098 566059645 /nfs/dbraw/zinc/05/96/45/566059645.db2.gz XJLSWVVGFRRIGH-UHFFFAOYSA-N 1 0 375.332 2.661 20 0 GFADRO COc1ccc(Br)cc1C1(NC(=O)[C@H]2C[C@]23CCC[NH2+]C3)CC1 ZINC000655483002 566059909 /nfs/dbraw/zinc/05/99/09/566059909.db2.gz CHVSLGYDAWEWCV-PBHICJAKSA-N 1 0 379.298 2.953 20 0 GFADRO Cc1c(Br)cccc1CS(=O)(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000655499812 566060841 /nfs/dbraw/zinc/06/08/41/566060841.db2.gz QMPKKEDSTDAWDY-HNNXBMFYSA-N 1 0 387.343 2.757 20 0 GFADRO [NH3+]C[C@@H](NC(=O)c1ccc(Br)c(OC(F)(F)F)c1)C(F)(F)F ZINC000655515604 566062944 /nfs/dbraw/zinc/06/29/44/566062944.db2.gz OVAIBUIZEXVORU-MRVPVSSYSA-N 1 0 395.097 2.967 20 0 GFADRO CC[N@H+](C)C[C@H]1CCN(S(=O)(=O)Cc2cccc(Br)c2C)C1 ZINC000655527690 566063601 /nfs/dbraw/zinc/06/36/01/566063601.db2.gz YWZHVSPAYOHHAG-CQSZACIVSA-N 1 0 389.359 2.861 20 0 GFADRO Cc1c(Br)cccc1CS(=O)(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000655524308 566064330 /nfs/dbraw/zinc/06/43/30/566064330.db2.gz YVJNHHIIMXGOHZ-RISCZKNCSA-N 1 0 375.332 2.660 20 0 GFADRO Cc1c(Br)cccc1CS(=O)(=O)N(C)CCCC[NH+](C)C ZINC000655530750 566064738 /nfs/dbraw/zinc/06/47/38/566064738.db2.gz KNWDMQGAKMRWJH-UHFFFAOYSA-N 1 0 377.348 2.861 20 0 GFADRO CCN(CCC[NH+](C)C)S(=O)(=O)Cc1cccc(Br)c1C ZINC000655568052 566068508 /nfs/dbraw/zinc/06/85/08/566068508.db2.gz YYKRUMXMZCARLS-UHFFFAOYSA-N 1 0 377.348 2.861 20 0 GFADRO O=C(Nc1cc(Br)c(F)cc1Cl)N1CCC([NH2+]CCO)CC1 ZINC000632920130 566074042 /nfs/dbraw/zinc/07/40/42/566074042.db2.gz QQGODOCJBXKHJD-UHFFFAOYSA-N 1 0 394.672 2.820 20 0 GFADRO C[NH+](C)[C@H]1C[C@@H](CNS(=O)(=O)c2cccc(Cl)c2Br)C1 ZINC000655632449 566074200 /nfs/dbraw/zinc/07/42/00/566074200.db2.gz LJKVXZRDXFKBPR-AOOOYVTPSA-N 1 0 381.723 2.721 20 0 GFADRO C[C@@H]1CN(C(=O)Nc2ccnn2Cc2ccc(Br)cc2)C[C@H]1C[NH3+] ZINC000632937367 566075597 /nfs/dbraw/zinc/07/55/97/566075597.db2.gz ZDNDXFREWBWHRY-TZMCWYRMSA-N 1 0 392.301 2.752 20 0 GFADRO [NH3+]CC[C@@H](NC(=O)N[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)C(F)(F)F ZINC000632953336 566076467 /nfs/dbraw/zinc/07/64/67/566076467.db2.gz UIYPOXXSWJJCRJ-UPJWGTAASA-N 1 0 383.773 2.888 20 0 GFADRO O=C(Nc1cc(Cl)ccc1OC(F)(F)F)N1CCC([NH2+]CCO)CC1 ZINC000632950620 566076602 /nfs/dbraw/zinc/07/66/02/566076602.db2.gz YIFNPVUAIZJVGH-UHFFFAOYSA-N 1 0 381.782 2.817 20 0 GFADRO Cc1ccc(-c2csc(NC(=O)C(=O)N3CCCCC[C@@H]([NH3+])C3)n2)s1 ZINC000633012335 566079619 /nfs/dbraw/zinc/07/96/19/566079619.db2.gz KVRVKQPVEWZUQJ-GFCCVEGCSA-N 1 0 378.523 2.848 20 0 GFADRO O=C(c1cccc2c(Br)cccc12)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000633069037 566082415 /nfs/dbraw/zinc/08/24/15/566082415.db2.gz FECXXKOZSSMWHX-UONOGXRCSA-N 1 0 389.293 2.883 20 0 GFADRO O=C(NCCC[NH2+][C@H]1CCCn2ccnc21)c1ccc(Br)cc1 ZINC000655705016 566082667 /nfs/dbraw/zinc/08/26/67/566082667.db2.gz UBKQYCYVXFYELA-HNNXBMFYSA-N 1 0 377.286 2.890 20 0 GFADRO COCC[C@@](C)(O)C[NH2+]Cc1cn(-c2cccc(Br)c2)nc1C ZINC000655736174 566085833 /nfs/dbraw/zinc/08/58/33/566085833.db2.gz NJZLOUKWBTUYSW-QGZVFWFLSA-N 1 0 382.302 2.820 20 0 GFADRO C[C@@H](C(=O)NCCSCCOc1cccc(Br)c1)[NH+](C)C ZINC000610560495 566087334 /nfs/dbraw/zinc/08/73/34/566087334.db2.gz JXYBEZTUHFUFTI-LBPRGKRZSA-N 1 0 375.332 2.627 20 0 GFADRO Cc1nn(-c2ccccc2Br)cc1C[NH2+]C[C@H]1CCCNC1=O ZINC000655780608 566089192 /nfs/dbraw/zinc/08/91/92/566089192.db2.gz ZHHSVHGHPLYIEF-CYBMUJFWSA-N 1 0 377.286 2.559 20 0 GFADRO C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1cc(Br)c3nccn3c1)C2 ZINC000633254869 566092159 /nfs/dbraw/zinc/09/21/59/566092159.db2.gz YYLROQJFHXPEFP-QGZVFWFLSA-N 1 0 377.286 2.655 20 0 GFADRO CC[C@@H]1CN(S(C)(=O)=O)CC[C@@H]1[NH2+][C@@H](C)c1nc(C(F)(F)F)cs1 ZINC000681053877 566092965 /nfs/dbraw/zinc/09/29/65/566092965.db2.gz DUKXIDKHYGPOLF-AXFHLTTASA-N 1 0 385.477 2.873 20 0 GFADRO CCOc1c(Br)cc(C[NH2+][C@@H]2CCc3c(nnn3C)C2)cc1OC ZINC000655841519 566093153 /nfs/dbraw/zinc/09/31/53/566093153.db2.gz FEDMNZAOSVMQAD-GFCCVEGCSA-N 1 0 395.301 2.632 20 0 GFADRO [NH3+]C[C@@H](NC(=O)N1CCC[C@H](c2nc3c(s2)CCCC3)C1)C(F)(F)F ZINC000655919420 566094751 /nfs/dbraw/zinc/09/47/51/566094751.db2.gz CIOZMNNQROGZCY-GXFFZTMASA-N 1 0 376.448 2.801 20 0 GFADRO [NH3+]C[C@@H](NC(=O)NCC1(c2cccc(Cl)c2)CCOCC1)C(F)(F)F ZINC000655914592 566095044 /nfs/dbraw/zinc/09/50/44/566095044.db2.gz MVLVJSSXLWOMLQ-CYBMUJFWSA-N 1 0 379.810 2.577 20 0 GFADRO [NH3+]CC[C@H](NC(=O)N1CCOc2cccc(Br)c2C1)C(F)(F)F ZINC000655910369 566095439 /nfs/dbraw/zinc/09/54/39/566095439.db2.gz ZKYHBSQAPJMYOB-LBPRGKRZSA-N 1 0 396.207 2.633 20 0 GFADRO [NH3+]C[C@H](NC(=O)N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1)C(F)(F)F ZINC000655928607 566097088 /nfs/dbraw/zinc/09/70/88/566097088.db2.gz MSKKOFUUWXUSON-SKDRFNHKSA-N 1 0 385.217 2.761 20 0 GFADRO C[C@H](NC(=O)N1CCOc2cccc(Br)c2C1)[C@H]1CCC[NH2+]C1 ZINC000655962563 566100381 /nfs/dbraw/zinc/10/03/81/566100381.db2.gz OQSGNPBZZUIULE-STQMWFEESA-N 1 0 382.302 2.741 20 0 GFADRO O=C(N[C@H]1[C@@H]2Cc3cc(Br)ccc3[C@@H]21)N1CC[NH+]2CCC1CC2 ZINC000633455077 566104467 /nfs/dbraw/zinc/10/44/67/566104467.db2.gz QPSWSJVMLKDBEY-IKGGRYGDSA-N 1 0 376.298 2.577 20 0 GFADRO COc1c(C)ncnc1NCCCNC(=O)c1cccc(Br)c1 ZINC000656114866 566104756 /nfs/dbraw/zinc/10/47/56/566104756.db2.gz HPEYQDFHFKDEAB-UHFFFAOYSA-N 1 0 379.258 2.788 20 0 GFADRO C[C@H](C[NH2+]C[C@@H](O)COc1ccc(Cl)c(Cl)c1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656153302 566106525 /nfs/dbraw/zinc/10/65/25/566106525.db2.gz OHFKSXJNUAIMEE-APIJFGDWSA-N 1 0 391.339 2.820 20 0 GFADRO O=C(N[C@@H]1CCc2c1ccc(F)c2Br)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000633649891 566112450 /nfs/dbraw/zinc/11/24/50/566112450.db2.gz MPKSQLNNLLUTHQ-KMUNFCNLSA-N 1 0 382.277 2.969 20 0 GFADRO O=C(NC[C@@H]1CCC[N@H+](CC2CC2)C1)c1cc(Br)c2nccn2c1 ZINC000633659834 566112603 /nfs/dbraw/zinc/11/26/03/566112603.db2.gz BVCJKAGERYFLSA-AWEZNQCLSA-N 1 0 391.313 2.949 20 0 GFADRO C[NH+](C)CCn1cc(C(=O)N2CC[C@@H]2c2ccc(Br)cc2)cn1 ZINC000633646721 566112649 /nfs/dbraw/zinc/11/26/49/566112649.db2.gz LTJPKONYCRENLI-MRXNPFEDSA-N 1 0 377.286 2.794 20 0 GFADRO COCC[NH+]1CCN(Cc2cn(-c3cccc(Br)c3)nc2C)CC1 ZINC000656248375 566116028 /nfs/dbraw/zinc/11/60/28/566116028.db2.gz SDUADQBNMARSIC-UHFFFAOYSA-N 1 0 393.329 2.707 20 0 GFADRO O=C(NCCCO)C1CC[NH+](Cc2oc3ccccc3c2Br)CC1 ZINC000656250288 566116062 /nfs/dbraw/zinc/11/60/62/566116062.db2.gz LOSMOCPVWOGUCQ-UHFFFAOYSA-N 1 0 395.297 2.906 20 0 GFADRO C[N@@H+]1CCC[C@H](NC(=O)Nc2cccc(F)c2I)C1 ZINC000611162921 566118493 /nfs/dbraw/zinc/11/84/93/566118493.db2.gz UHKYTFQFPCONEJ-VIFPVBQESA-N 1 0 377.201 2.646 20 0 GFADRO CS[C@H]1CN(Cc2cc3c(cc2Br)OCCO3)C[C@H]1[NH+](C)C ZINC000611191256 566120744 /nfs/dbraw/zinc/12/07/44/566120744.db2.gz KDOFOKAUGXDRDX-CJNGLKHVSA-N 1 0 387.343 2.698 20 0 GFADRO COCC[NH2+]Cc1ccn(Cc2cn(-c3ccc(Cl)c(Cl)c3)nn2)n1 ZINC000656441738 566126611 /nfs/dbraw/zinc/12/66/11/566126611.db2.gz OTCIFUDTCFTPRI-UHFFFAOYSA-N 1 0 381.267 2.555 20 0 GFADRO O=C(NCC[NH+]1CCCCCC1)c1cnc2ncc(Br)cc2c1 ZINC000681958924 566135051 /nfs/dbraw/zinc/13/50/51/566135051.db2.gz NKLPBPJHLVJSGG-UHFFFAOYSA-N 1 0 377.286 2.998 20 0 GFADRO C[C@H]1C[C@H](N(C)C(=O)c2cnc3ncc(Br)cc3c2)CC[N@@H+]1C ZINC000682000672 566137433 /nfs/dbraw/zinc/13/74/33/566137433.db2.gz DSZDLACJIVJFJD-XHDPSFHLSA-N 1 0 377.286 2.947 20 0 GFADRO CCO[C@@H]1CCC[N@H+](C[C@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000682187630 566146819 /nfs/dbraw/zinc/14/68/19/566146819.db2.gz XULLCHNSEHZKPL-LSDHHAIUSA-N 1 0 376.266 2.829 20 0 GFADRO CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)Nc1ccc(F)c(Br)c1 ZINC000682274055 566149412 /nfs/dbraw/zinc/14/94/12/566149412.db2.gz VXZQFWRFFVGVJK-LLVKDONJSA-N 1 0 386.265 2.517 20 0 GFADRO COC(=O)[C@H](NC(=O)C[N@H+](C)[C@@H]1CCSC1)c1ccc(Cl)cc1Cl ZINC000612091847 566151316 /nfs/dbraw/zinc/15/13/16/566151316.db2.gz LHIGBFPIMUALNP-IAQYHMDHSA-N 1 0 391.320 2.761 20 0 GFADRO CSc1cc(Cl)ccc1NCC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000656656905 566153515 /nfs/dbraw/zinc/15/35/15/566153515.db2.gz KDJKSXDJXCKRQE-OAHLLOKOSA-N 1 0 385.961 2.947 20 0 GFADRO O=C(NCC[NH2+][C@@H]1CCc2ccc(F)cc21)c1ccc(Br)cn1 ZINC000656680751 566154424 /nfs/dbraw/zinc/15/44/24/566154424.db2.gz ZPXSFMWLLDILKO-OAHLLOKOSA-N 1 0 378.245 2.990 20 0 GFADRO COC[C@H]([NH2+][C@H]1CCN(c2cccc(Br)c2)C1=O)C1CCOCC1 ZINC000656677368 566154804 /nfs/dbraw/zinc/15/48/04/566154804.db2.gz GJYVDOWTNHFZOI-IRXDYDNUSA-N 1 0 397.313 2.586 20 0 GFADRO CCOc1cc(C[NH2+]CCC2CS(=O)(=O)C2)ccc1OCC(F)(F)F ZINC000682475009 566156073 /nfs/dbraw/zinc/15/60/73/566156073.db2.gz VXKYBXXILNWORG-UHFFFAOYSA-N 1 0 381.416 2.551 20 0 GFADRO CC[NH+]1CCC(N2NC(=O)[C@](C)(c3ccc(Cl)c(Cl)c3)CC2=O)CC1 ZINC000634602700 566160367 /nfs/dbraw/zinc/16/03/67/566160367.db2.gz ZUXYTLZMDPUJEL-SFHVURJKSA-N 1 0 384.307 2.999 20 0 GFADRO CC(C)(C[NH2+]C[C@@H](O)CC1(O)CCOCC1)c1ccc(Br)cc1 ZINC000634642586 566163666 /nfs/dbraw/zinc/16/36/66/566163666.db2.gz MYLXJTKZMKKVSG-INIZCTEOSA-N 1 0 386.330 2.609 20 0 GFADRO OCC[C@@H]1CCC[N@H+](Cc2ccc(Br)cc2N2CCOCC2)C1 ZINC000682778609 566169934 /nfs/dbraw/zinc/16/99/34/566169934.db2.gz NFJCCUZWZDEFMF-HNNXBMFYSA-N 1 0 383.330 2.880 20 0 GFADRO CCC[NH+]1CCC(NS(=O)(=O)Cc2cc(F)ccc2Br)CC1 ZINC000656865246 566170594 /nfs/dbraw/zinc/17/05/94/566170594.db2.gz BOJRQSFCOCLJRJ-UHFFFAOYSA-N 1 0 393.322 2.882 20 0 GFADRO CC[NH+]1CCC(N(C)S(=O)(=O)Cc2cc(F)ccc2Br)CC1 ZINC000656869659 566170656 /nfs/dbraw/zinc/17/06/56/566170656.db2.gz DIVUXPZOZNVVLE-UHFFFAOYSA-N 1 0 393.322 2.834 20 0 GFADRO O[C@H](C[NH2+]CCOc1c(Cl)cc(Cl)cc1Cl)CC1(O)CCOCC1 ZINC000634708028 566170950 /nfs/dbraw/zinc/17/09/50/566170950.db2.gz PFZJXARUOWJJPK-LBPRGKRZSA-N 1 0 398.714 2.908 20 0 GFADRO COC1([C@H](C)[NH2+]C[C@H](O)COc2cc(Cl)cc(Cl)c2)CCOCC1 ZINC000634717868 566171616 /nfs/dbraw/zinc/17/16/16/566171616.db2.gz SHJZJCSFCCCSSK-WFASDCNBSA-N 1 0 378.296 2.907 20 0 GFADRO CC(C)(COc1ncccc1Br)NC(=O)[C@@H]1CCc2nc[nH]c2C1 ZINC000612715547 566172330 /nfs/dbraw/zinc/17/23/30/566172330.db2.gz BPVXANJKGPICQU-LLVKDONJSA-N 1 0 393.285 2.646 20 0 GFADRO O[C@@H](C[NH2+]C[C@H](n1cncn1)C(F)(F)F)COc1ccc(Cl)c(Cl)c1 ZINC000634725772 566173733 /nfs/dbraw/zinc/17/37/33/566173733.db2.gz CNINGKAIXGTEMK-ZANVPECISA-N 1 0 399.200 2.718 20 0 GFADRO CCCC[N@H+](C)CCNS(=O)(=O)Cc1cc(F)ccc1Br ZINC000656901895 566179042 /nfs/dbraw/zinc/17/90/42/566179042.db2.gz VVQVQJXLMUSUDQ-UHFFFAOYSA-N 1 0 381.311 2.740 20 0 GFADRO COc1ccc(Br)cc1CN(C)C(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000612962370 566180150 /nfs/dbraw/zinc/18/01/50/566180150.db2.gz AYTAQMRLLBSVRC-HNNXBMFYSA-N 1 0 382.302 2.741 20 0 GFADRO Cc1cc(Br)c2c(c1)CN(C(=O)N[C@@H]1CC13CC[NH2+]CC3)CC2 ZINC000612982952 566181329 /nfs/dbraw/zinc/18/13/29/566181329.db2.gz KVFKUSSDCJRRMM-MRXNPFEDSA-N 1 0 378.314 2.967 20 0 GFADRO O=C(N[C@H]1CC12CC[NH2+]CC2)N1CCOC[C@H]1c1ccc(Br)cc1 ZINC000612996153 566182590 /nfs/dbraw/zinc/18/25/90/566182590.db2.gz OIHNWJQKOBXSIX-HOTGVXAUSA-N 1 0 394.313 2.674 20 0 GFADRO COc1cc(Cl)c(C)cc1NC(=O)CC[NH2+][C@@H]1CCCS(=O)(=O)CC1 ZINC000634967044 566185848 /nfs/dbraw/zinc/18/58/48/566185848.db2.gz DPCNRVYYUXCLJF-CYBMUJFWSA-N 1 0 388.917 2.543 20 0 GFADRO C[N@H+]1CC=C(CNS(=O)(=O)c2cc(Cl)cc(Br)c2)CC1 ZINC000656955040 566193496 /nfs/dbraw/zinc/19/34/96/566193496.db2.gz WFVCAKNRMBDPMY-UHFFFAOYSA-N 1 0 379.707 2.643 20 0 GFADRO O[C@@H](COc1ccc(Br)cc1)C[N@@H+]1CCC[C@@H](c2ccncn2)C1 ZINC000613380525 566196741 /nfs/dbraw/zinc/19/67/41/566196741.db2.gz ASDKSZCRODAFBW-GDBMZVCRSA-N 1 0 392.297 2.858 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@H](CNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)C1 ZINC000657035253 566210409 /nfs/dbraw/zinc/21/04/09/566210409.db2.gz VEWAIJMAGNEXHW-GFCCVEGCSA-N 1 0 380.432 2.984 20 0 GFADRO O=C1CSc2ncnc(NCC3CC[NH+](Cc4cccs4)CC3)c2N1 ZINC000683748863 566212390 /nfs/dbraw/zinc/21/23/90/566212390.db2.gz PGVZATZGQIBKDY-UHFFFAOYSA-N 1 0 375.523 2.906 20 0 GFADRO C[N@@H+]1CC[C@@H](CC(=O)NCC2(c3ccc(Br)cc3)CCOCC2)C1 ZINC000635470814 566215467 /nfs/dbraw/zinc/21/54/67/566215467.db2.gz CSKDQUZBDJUVHG-HNNXBMFYSA-N 1 0 395.341 2.955 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@@H](NS(=O)(=O)c2ccc(Br)cc2F)C1 ZINC000657061281 566216172 /nfs/dbraw/zinc/21/61/72/566216172.db2.gz LECTYTPUXDMCMR-LLVKDONJSA-N 1 0 379.295 2.739 20 0 GFADRO C[C@@H](CN(C)CCC[NH+](C)C)NS(=O)(=O)Cc1ccc(Cl)cc1Cl ZINC000657071557 566218025 /nfs/dbraw/zinc/21/80/25/566218025.db2.gz QERQMAKQUHXYHN-ZDUSSCGKSA-N 1 0 396.384 2.685 20 0 GFADRO C[NH+](C)C[C@@]1(O)CCCN(C(=O)c2cc(Cl)ccc2Br)C1 ZINC000683914648 566218727 /nfs/dbraw/zinc/21/87/27/566218727.db2.gz UJRPLXLDCJTHFJ-HNNXBMFYSA-N 1 0 375.694 2.631 20 0 GFADRO Nc1c(Cl)c(F)cc(C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)c1Cl ZINC000635583138 566219559 /nfs/dbraw/zinc/21/95/59/566219559.db2.gz WXMBFENTOQGUOS-SNVBAGLBSA-N 1 0 390.286 2.945 20 0 GFADRO Nc1c(Cl)c(F)cc(C(=O)N2CC[NH+](C3CCOCC3)CC2)c1Cl ZINC000635643560 566220828 /nfs/dbraw/zinc/22/08/28/566220828.db2.gz DYLZILSVWHYZGJ-UHFFFAOYSA-N 1 0 376.259 2.652 20 0 GFADRO C[N@@H+]1CC[C@@H](CC(=O)NC2CCN(Cc3ccc(Br)cc3)CC2)C1 ZINC000635693142 566223373 /nfs/dbraw/zinc/22/33/73/566223373.db2.gz YASSOZGHWCUCJW-INIZCTEOSA-N 1 0 394.357 2.872 20 0 GFADRO Cc1nc(CS(=O)(=O)N2CCC[N@@H+](Cc3ccccc3)C[C@H]2C)cs1 ZINC000684101314 566226604 /nfs/dbraw/zinc/22/66/04/566226604.db2.gz ZVBHPKMEPLYSIF-OAHLLOKOSA-N 1 0 379.551 2.878 20 0 GFADRO Cc1nc(CS(=O)(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cs1 ZINC000684101939 566226893 /nfs/dbraw/zinc/22/68/93/566226893.db2.gz IZJBKSURMGQADW-WMLDXEAASA-N 1 0 379.551 2.924 20 0 GFADRO CC[C@H](Cc1cccc(Br)c1)C(=O)N1CCC[C@](O)(C[NH+](C)C)C1 ZINC000684176041 566229072 /nfs/dbraw/zinc/22/90/72/566229072.db2.gz SMWAHEPXCBNUQB-APWZRJJASA-N 1 0 397.357 2.933 20 0 GFADRO Brc1cccc(N2CC[C@H]([NH2+]C[C@H]3CNc4ccnn4C3)C2)c1 ZINC000684199443 566230079 /nfs/dbraw/zinc/23/00/79/566230079.db2.gz OBVANRNZBLIHLE-ZFWWWQNUSA-N 1 0 376.302 2.556 20 0 GFADRO COCC[N@@H+](Cc1cc(Br)cs1)C[C@H]1CNc2ccnn2C1 ZINC000684203986 566230305 /nfs/dbraw/zinc/23/03/05/566230305.db2.gz QDWCSABCQAYEFW-GFCCVEGCSA-N 1 0 385.331 2.897 20 0 GFADRO CN(C)c1cc[nH+]cc1C(=O)N1CCOc2c(Br)cccc2C1 ZINC000684329915 566233521 /nfs/dbraw/zinc/23/35/21/566233521.db2.gz AHVYXDDYWQJFPV-UHFFFAOYSA-N 1 0 376.254 2.945 20 0 GFADRO O=S1(=O)CCCN1CCC[NH2+][C@@H]1CCCc2cc(Br)ccc21 ZINC000684552889 566238325 /nfs/dbraw/zinc/23/83/25/566238325.db2.gz PZIIIZOJEBUTIB-MRXNPFEDSA-N 1 0 387.343 2.842 20 0 GFADRO CC[C@H](C[NH+]1CCCC1)NS(=O)(=O)c1ccc(OC)cc1Br ZINC000684582156 566239234 /nfs/dbraw/zinc/23/92/34/566239234.db2.gz WBFMSYZNMBYVIF-GFCCVEGCSA-N 1 0 391.331 2.610 20 0 GFADRO S=C(Nc1ccc(-c2nn[nH]n2)c(Cl)c1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000738400972 598828431 /nfs/dbraw/zinc/82/84/31/598828431.db2.gz MHRDEXNWGDCWCV-GFCCVEGCSA-N 1 0 391.932 2.635 20 0 GFADRO Cc1ccc(C[C@H]2CCC[N@@H+]2CC(=O)Nc2sccc2-c2nn[nH]n2)cc1 ZINC000737333399 598833786 /nfs/dbraw/zinc/83/37/86/598833786.db2.gz APYBQEPJFBCYBN-OAHLLOKOSA-N 1 0 382.493 2.882 20 0 GFADRO C[N@@H+]1CCCC[C@H]1C(=O)NCc1cccc(-c2ccc(-c3nn[nH]n3)s2)c1 ZINC000736859706 598846967 /nfs/dbraw/zinc/84/69/67/598846967.db2.gz HPAFZJHHGYEYLG-HNNXBMFYSA-N 1 0 382.493 2.696 20 0 GFADRO Cc1ccc(NC(=O)CSc2ccc(-c3nn[nH]n3)cc2)c(C[NH+](C)C)c1 ZINC000737358144 598868562 /nfs/dbraw/zinc/86/85/62/598868562.db2.gz YDVQHYOFDLLNOM-UHFFFAOYSA-N 1 0 382.493 2.968 20 0 GFADRO O[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(OCc2ccccc2-c2nn[nH]n2)c1 ZINC000738390125 598901012 /nfs/dbraw/zinc/90/10/12/598901012.db2.gz PHUZJGHKLXGRKF-WOJBJXKFSA-N 1 0 379.464 2.839 20 0 GFADRO O=C1[C@@H]([N@@H+]2CCC[C@@]3(CC=CCC3)C2)CCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000738290137 598919472 /nfs/dbraw/zinc/91/94/72/598919472.db2.gz NEMQPHXUDNBSAW-RXVVDRJESA-N 1 0 378.480 2.794 20 0 GFADRO C[C@H]([NH2+][C@H]1CCN(c2ccc(-c3nn[nH]n3)cc2)C1=O)c1ccc(F)c(F)c1 ZINC000736131943 598959082 /nfs/dbraw/zinc/95/90/82/598959082.db2.gz MAIQKPFPIJWFOA-GTNSWQLSSA-N 1 0 384.390 2.601 20 0 GFADRO c1ccc2c(c1)CC[N@@H+](CCCNc1c3ccccc3nnc1-c1nn[nH]n1)C2 ZINC000738442569 598959456 /nfs/dbraw/zinc/95/94/56/598959456.db2.gz PKBPNOVWABAWTN-UHFFFAOYSA-N 1 0 386.463 2.670 20 0 GFADRO COc1ccc(C[N@H+](C)CCOc2ccc(-c3nn[nH]n3)cc2OC)cc1F ZINC000737089987 598982138 /nfs/dbraw/zinc/98/21/38/598982138.db2.gz CNGIDIGUEUWGSY-UHFFFAOYSA-N 1 0 387.415 2.534 20 0 GFADRO Cc1ccc(C[C@@H]2CCC[N@@H+]([C@@H](C(N)=O)c3ccc(-c4nn[nH]n4)cc3)C2)cc1 ZINC000737334565 599070919 /nfs/dbraw/zinc/07/09/19/599070919.db2.gz IYGBOHSVSVRUAX-FXAWDEMLSA-N 1 0 390.491 2.656 20 0 GFADRO C[C@H]1C[N@H+](CC(=O)NCc2ccc(-c3nn[nH]n3)cc2)CC[C@H]1c1ccccc1 ZINC000736284549 599144357 /nfs/dbraw/zinc/14/43/57/599144357.db2.gz AVVJNEZCPURSNF-OXJNMPFZSA-N 1 0 390.491 2.609 20 0 GFADRO C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)C=Cc2ccccc2-c2nn[nH]n2)C1 ZINC000821614828 599193590 /nfs/dbraw/zinc/19/35/90/599193590.db2.gz WKHRAWVMNUAQSE-JZHDPFOFSA-N 1 0 388.475 2.613 20 0 GFADRO C[NH+](C)CC[C@H](NC(=O)N(Cc1ccc(-c2nn[nH]n2)cc1)C1CC1)C(C)(C)C ZINC000736759185 599190104 /nfs/dbraw/zinc/19/01/04/599190104.db2.gz PJHMMHXMNAZCMJ-SFHVURJKSA-N 1 0 399.543 2.907 20 0 GFADRO C[NH+](C)CCOc1ccc(NC(=O)c2ccc(-c3nn[nH]n3)cc2)cc1Cl ZINC000736768678 599202820 /nfs/dbraw/zinc/20/28/20/599202820.db2.gz HPGNDUTYHDMWMK-UHFFFAOYSA-N 1 0 386.843 2.713 20 0 GFADRO C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)Nc1cc(-c2nn[nH]n2)cn1C(C)(C)C ZINC000736293603 599239900 /nfs/dbraw/zinc/23/99/00/599239900.db2.gz PBQVSHAZAXLMSF-DZGCQCFKSA-N 1 0 386.504 2.514 20 0 GFADRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000821599046 599247159 /nfs/dbraw/zinc/24/71/59/599247159.db2.gz DDTAQXPASYKYOI-ZDUSSCGKSA-N 1 0 377.880 2.858 20 0 GFADRO CN(C[C@H]1CC[N@H+](C)C1)C(=O)c1cccc(Oc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000736848193 598239548 /nfs/dbraw/zinc/23/95/48/598239548.db2.gz KHOSBHVBOAJKQA-HNNXBMFYSA-N 1 0 392.463 2.683 20 0 GFADRO C[N@@H+]1CCC[C@H]1CNC(=O)Nc1ccc(Oc2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000736859083 598265351 /nfs/dbraw/zinc/26/53/51/598265351.db2.gz DKVJCUZQYUXDGH-INIZCTEOSA-N 1 0 393.451 2.875 20 0 GFADRO C[N@H+](CCNC(=S)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)C1CCCC1 ZINC000736800727 598277624 /nfs/dbraw/zinc/27/76/24/598277624.db2.gz PDQVFHDDMNUDLG-UHFFFAOYSA-N 1 0 379.921 2.681 20 0 GFADRO CC(C)[N@H+](C)CCNC(=O)c1cccc(OCc2ccccc2-c2nn[nH]n2)c1 ZINC000735857583 598301482 /nfs/dbraw/zinc/30/14/82/598301482.db2.gz VTJLEOKCQPTLHW-UHFFFAOYSA-N 1 0 394.479 2.516 20 0 GFADRO O=C(CC[N@@H+]1CCCO[C@H](c2ccccc2)C1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000737845317 598311957 /nfs/dbraw/zinc/31/19/57/598311957.db2.gz YWTOBATWOMRFKP-IBGZPJMESA-N 1 0 392.463 2.659 20 0 GFADRO CCC[N@@H+]1CC[C@@H](CNC(=O)N(Cc2ccc(-c3nn[nH]n3)cc2)C(C)C)C1 ZINC000736481611 598425915 /nfs/dbraw/zinc/42/59/15/598425915.db2.gz WXPCRCZFTJZMRF-KRWDZBQOSA-N 1 0 385.516 2.519 20 0 GFADRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000736557796 598467707 /nfs/dbraw/zinc/46/77/07/598467707.db2.gz AXUKUQTXWSSPCW-UHFFFAOYSA-N 1 0 379.468 2.982 20 0 GFADRO C[C@@H]([NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1cc2ccccc2s1 ZINC000736137246 598531205 /nfs/dbraw/zinc/53/12/05/598531205.db2.gz WJJIMIASIZOMQX-NEPJUHHUSA-N 1 0 380.481 2.670 20 0 GFADRO Cc1ccc(C)c(CC(=O)N(CC[NH+](C)C)Cc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000737322191 598541222 /nfs/dbraw/zinc/54/12/22/598541222.db2.gz JHJNBZKTWIRTGW-UHFFFAOYSA-N 1 0 392.507 2.616 20 0 GFADRO c1ccc(-c2nn[nH]n2)c(OCC[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCO3)c1 ZINC000738424281 598614613 /nfs/dbraw/zinc/61/46/13/598614613.db2.gz CXZMFNRSYQARER-MRXNPFEDSA-N 1 0 379.420 2.811 20 0 GFADRO O=C(C=Cc1ccccc1-c1nn[nH]n1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000737803068 598669061 /nfs/dbraw/zinc/66/90/61/598669061.db2.gz ZXQBDFSPUWWAAP-IENJSVCTSA-N 1 0 394.523 2.995 20 0 GFADRO c1ccc(CC[N@@H+]2CC[C@H](CNc3nc4c(cc3-c3nn[nH]n3)CCC4)C2)cc1 ZINC000738427588 598674850 /nfs/dbraw/zinc/67/48/50/598674850.db2.gz JKMIVHYHFBOCDZ-QGZVFWFLSA-N 1 0 389.507 2.727 20 0 GFADRO COc1ccc2c(c1)CCC[N@@H+](CCC(=O)Nc1ccc(-c3nn[nH]n3)cc1)C2 ZINC000737118234 598684923 /nfs/dbraw/zinc/68/49/23/598684923.db2.gz CNMWLAHGLJUCQX-UHFFFAOYSA-N 1 0 392.463 2.652 20 0 GFADRO COC(=O)CC[N@H+](Cc1ccc(F)c(F)c1)Cc1ccccc1-c1nn[nH]n1 ZINC000736913654 598705122 /nfs/dbraw/zinc/70/51/22/598705122.db2.gz USQOVOOGZFZZKB-UHFFFAOYSA-N 1 0 387.390 2.710 20 0 GFADRO Cc1nc2c(s1)[C@H]([N@H+](C)CCC(=O)Nc1ccccc1-c1nn[nH]n1)CCC2 ZINC000737489520 598707990 /nfs/dbraw/zinc/70/79/90/598707990.db2.gz YMKRMMYOTXQTPP-MRXNPFEDSA-N 1 0 397.508 2.970 20 0 GFADRO CCC(CC)(CNC(=O)c1ccc(-c2nn[nH]n2)cn1)[NH2+][C@H](C)c1ccccc1 ZINC000736335032 598721208 /nfs/dbraw/zinc/72/12/08/598721208.db2.gz OKAKGERAQGHEMQ-OAHLLOKOSA-N 1 0 393.495 2.901 20 0 GFADRO CC(C)[NH2+][C@@H]1CCCN(C(=O)Nc2cc(-c3nn[nH]n3)ccc2OC(C)C)C1 ZINC000735888253 598728760 /nfs/dbraw/zinc/72/87/60/598728760.db2.gz JPRDZXWZCBFUTR-OAHLLOKOSA-N 1 0 387.488 2.648 20 0 GFADRO CCS[C@@H]1CCCC[N@@H+]([C@@H]2CCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)C1 ZINC000736666374 598749114 /nfs/dbraw/zinc/74/91/14/598749114.db2.gz RRJFVYBLMNBJCM-IAGOWNOFSA-N 1 0 386.525 2.580 20 0 GFADRO Cc1cc(C(=O)N(CC[NH+](C)C)Cc2cccc(-c3nn[nH]n3)c2)ccc1F ZINC000737226877 598750206 /nfs/dbraw/zinc/75/02/06/598750206.db2.gz FOPDUWDTPRRHFA-UHFFFAOYSA-N 1 0 382.443 2.518 20 0 GFADRO CC[NH+](CC)[C@H](C(=O)N(C)Cc1ccc(-c2nn[nH]n2)cc1)c1ccccc1 ZINC000736535305 598808819 /nfs/dbraw/zinc/80/88/19/598808819.db2.gz WIGOERFWOHSHFA-IBGZPJMESA-N 1 0 378.480 2.908 20 0 GFADRO CC[C@H]([NH2+]CCC(=O)Nc1cccc(-c2nn[nH]n2)c1)c1ccccc1OC ZINC000820925761 599302605 /nfs/dbraw/zinc/30/26/05/599302605.db2.gz LOMTULFLIUIEOW-KRWDZBQOSA-N 1 0 380.452 2.945 20 0 GFADRO Clc1ccc(OCC[NH+]2CCN(c3ccccc3-c3nn[nH]n3)CC2)cc1 ZINC000822578334 599311745 /nfs/dbraw/zinc/31/17/45/599311745.db2.gz HFWISIDLOWWGCE-UHFFFAOYSA-N 1 0 384.871 2.721 20 0 GFADRO NC(=O)[C@H]([NH2+]C1CC(c2cccc(Cl)c2)C1)c1ccc(-c2nn[nH]n2)cc1 ZINC000822850815 599383742 /nfs/dbraw/zinc/38/37/42/599383742.db2.gz QZYFKCMYIFFHPX-BDVYOWHSSA-N 1 0 382.855 2.582 20 0 GFADRO C[C@@H]([NH2+][C@@H](C)C(=O)NC[C@@H](C)c1ccccc1)c1cccc(-c2nn[nH]n2)c1 ZINC000820411857 599386133 /nfs/dbraw/zinc/38/61/33/599386133.db2.gz JYMXKLHOJIGIEM-OAGGEKHMSA-N 1 0 378.480 2.826 20 0 GFADRO C[C@H](NC(=O)[C@H](C)[NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1)c1ccc(F)cc1 ZINC000820412720 599388335 /nfs/dbraw/zinc/38/83/35/599388335.db2.gz MPSSZOIEMRGLJI-IHRRRGAJSA-N 1 0 382.443 2.922 20 0 GFADRO Cc1ccccc1CCNC(=O)[C@@H](C)[NH2+][C@H](C)c1cccc(-c2nn[nH]n2)c1 ZINC000822356102 599388989 /nfs/dbraw/zinc/38/89/89/599388989.db2.gz JLQRAUOFBQKIOU-HZPDHXFCSA-N 1 0 378.480 2.573 20 0 GFADRO CC(=O)c1ccc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2cccc(-c3nn[nH]n3)c2)cc1 ZINC000819835395 599389205 /nfs/dbraw/zinc/38/92/05/599389205.db2.gz XHPSVOJQRWKLAM-CHWSQXEVSA-N 1 0 378.436 2.747 20 0 GFADRO CCc1ccc([C@H](C[NH2+]Cc2ccc(OC)c(-c3nn[nH]n3)c2)N(C)C)cc1 ZINC000821481785 599391433 /nfs/dbraw/zinc/39/14/33/599391433.db2.gz NYVDVIQKVXDTPZ-IBGZPJMESA-N 1 0 380.496 2.830 20 0 GFADRO COc1ccc(C[NH2+]CCCn2c(C)nc3ccccc32)cc1-c1nn[nH]n1 ZINC000821813649 599394353 /nfs/dbraw/zinc/39/43/53/599394353.db2.gz JYDQOOLOCUGRMI-UHFFFAOYSA-N 1 0 377.452 2.713 20 0 GFADRO COc1ccc(C[NH2+]Cc2cc(N(C)C)nc3ccccc23)cc1-c1nn[nH]n1 ZINC000821817940 599397394 /nfs/dbraw/zinc/39/73/94/599397394.db2.gz CVYUDJSTHHHRBM-UHFFFAOYSA-N 1 0 389.463 2.779 20 0 GFADRO C[C@@H](NC(=O)NCCC[N@H+](C)Cc1ccccc1)c1cccc(-c2nn[nH]n2)c1 ZINC000820364500 599403510 /nfs/dbraw/zinc/40/35/10/599403510.db2.gz BTZCKLGNPWHCHE-MRXNPFEDSA-N 1 0 393.495 2.749 20 0 GFADRO COc1ccc(C[NH2+][C@H](C)c2ccc(N3CCCC3=O)cc2)cc1-c1nn[nH]n1 ZINC000821805579 599417536 /nfs/dbraw/zinc/41/75/36/599417536.db2.gz VHBYAIMQRGLIDE-CQSZACIVSA-N 1 0 392.463 2.853 20 0 GFADRO COc1ccc(C[NH2+][C@@H](C)c2ccc(N3CCOC3=O)cc2)cc1-c1nn[nH]n1 ZINC000821805565 599417881 /nfs/dbraw/zinc/41/78/81/599417881.db2.gz VDEOSTKIISTGJT-ZDUSSCGKSA-N 1 0 394.435 2.683 20 0 GFADRO COc1ccc(C[NH2+]C[C@@H]2CCCN(Cc3cccs3)C2)cc1-c1nn[nH]n1 ZINC000821809274 599422091 /nfs/dbraw/zinc/42/20/91/599422091.db2.gz NBKYNZFYWUNJLS-INIZCTEOSA-N 1 0 398.536 2.939 20 0 GFADRO O[C@@H]1CCC[C@H]1C[NH2+]Cc1cccc(OCc2ccccc2-c2nn[nH]n2)c1 ZINC000823697375 599459416 /nfs/dbraw/zinc/45/94/16/599459416.db2.gz KIKXJOUBHZQGRY-OXJNMPFZSA-N 1 0 379.464 2.696 20 0 GFADRO Cc1cc(F)cc2c1ncc(-c1nn[nH]n1)c2NC1CC[NH+](C(C)(C)C)CC1 ZINC000822204667 599486330 /nfs/dbraw/zinc/48/63/30/599486330.db2.gz WOUCCXQYLJWPTB-UHFFFAOYSA-N 1 0 383.475 2.959 20 0 GFADRO C[C@@H]1CN(c2ccc(Cl)cc2-c2nn[nH]n2)CC[N@@H+]1C[C@H](O)c1ccccc1 ZINC000820776414 599530953 /nfs/dbraw/zinc/53/09/53/599530953.db2.gz LZKYVVDRAAYDCJ-KUHUBIRLSA-N 1 0 398.898 2.764 20 0 GFADRO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1cc(-c2nn[nH]n2)cn1C(C)(C)C ZINC000820995736 599555022 /nfs/dbraw/zinc/55/50/22/599555022.db2.gz WRSJQNNJYKCSPL-GJZGRUSLSA-N 1 0 386.504 2.514 20 0 GFADRO c1ccc(COC[C@H]2CC[N@@H+](CCOc3ccccc3-c3nn[nH]n3)C2)cc1 ZINC000823786994 599584529 /nfs/dbraw/zinc/58/45/29/599584529.db2.gz HBDIBCHNFBBFHR-SFHVURJKSA-N 1 0 379.464 2.784 20 0 GFADRO Cc1ccccc1[C@H]1C[C@H](C)[N@@H+](CC(=O)Nc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000737419989 599584640 /nfs/dbraw/zinc/58/46/40/599584640.db2.gz GMKCRWJCBQZNJS-RDJZCZTQSA-N 1 0 376.464 2.992 20 0 GFADRO Cc1ccccc1[C@@H]1C[C@H](C)[N@@H+](C[C@H](O)COc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000737421451 599584652 /nfs/dbraw/zinc/58/46/52/599584652.db2.gz NHLADLIHXZVMKC-UHOSZYNNSA-N 1 0 393.491 2.793 20 0 GFADRO O=C(CC[N@H+]1CCc2ccc(O)cc2C1)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000737845915 599588050 /nfs/dbraw/zinc/58/80/50/599588050.db2.gz BGAWBMYAWNYHCN-UHFFFAOYSA-N 1 0 398.854 2.613 20 0 GFADRO COc1ccccc1C[C@@H](C)[N@H+](C)CCC(=O)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000821890007 599643125 /nfs/dbraw/zinc/64/31/25/599643125.db2.gz IUEQUFGTCSZZIB-OAHLLOKOSA-N 1 0 394.479 2.767 20 0 GFADRO C[C@H]1CC[C@H](C)[NH+]1CC(=O)Nc1ccc(Oc2ccc(-c3nn[nH]n3)cc2)nc1 ZINC000820683405 599697308 /nfs/dbraw/zinc/69/73/08/599697308.db2.gz ATNCNEAXIFTHCP-KBPBESRZSA-N 1 0 393.451 2.865 20 0 GFADRO Cc1cc[nH+]c(NC[C@H]2CC[N@H+](CC(=O)NCc3ccc(NC(=O)[O-])cc3)C2)c1 ZINC000738798663 600096512 /nfs/dbraw/zinc/09/65/12/600096512.db2.gz TXVSAVBUYYIGLY-QGZVFWFLSA-N 1 0 397.479 2.530 20 0 GFADRO CC[NH+](CC)[C@@H](C)CNC(=O)Nc1ccc(OC(C)C)c(-c2nn[nH]n2)c1 ZINC000821182578 607433069 /nfs/dbraw/zinc/43/30/69/607433069.db2.gz WWHBFGDRRLMGSU-ZDUSSCGKSA-N 1 0 375.477 2.506 20 0 GFADRO CC[NH+](CC)[C@H](CNC(=O)NC1(c2cccc(-c3nn[nH]n3)c2)CC1)CC(C)C ZINC000825405489 607447805 /nfs/dbraw/zinc/44/78/05/607447805.db2.gz BTMFAIXVFQNCAZ-SFHVURJKSA-N 1 0 399.543 2.912 20 0 GFADRO COc1ccc(-c2nn[nH]n2)cc1CN(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000826181472 607464797 /nfs/dbraw/zinc/46/47/97/607464797.db2.gz ACYWTDVANNBFTL-UHFFFAOYSA-N 1 0 392.507 2.972 20 0 GFADRO c1ccc2c(c1)nc(N1CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C1)cc2-c1nn[nH]n1 ZINC000823791473 607472456 /nfs/dbraw/zinc/47/24/56/607472456.db2.gz DBXYTTQPOSKKQV-AUUYWEPGSA-N 1 0 375.480 2.868 20 0 GFADRO c1ccc2nc(N3CC[C@H]4[C@@H](CCC[N@H+]4C4CC4)C3)c(-c3nn[nH]n3)cc2c1 ZINC000823802600 607472891 /nfs/dbraw/zinc/47/28/91/607472891.db2.gz UIMMGWIUGPMBQZ-KXBFYZLASA-N 1 0 375.480 2.868 20 0 GFADRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N[C@H](C)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000820092253 607497668 /nfs/dbraw/zinc/49/76/68/607497668.db2.gz JSXYDKVRAACFPR-HZPDHXFCSA-N 1 0 385.516 2.595 20 0 GFADRO C[C@H](NC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)c1cccc(-c2nn[nH]n2)c1 ZINC000820348677 607497881 /nfs/dbraw/zinc/49/78/81/607497881.db2.gz FQBVDLJXIIHWSI-UCLAIMLFSA-N 1 0 395.511 2.586 20 0 GFADRO c1ccc(C[N@H+]2CCC[C@@]3(CCN(Cc4ccnc(-c5nn[nH]n5)c4)C3)C2)cc1 ZINC000826521258 607512018 /nfs/dbraw/zinc/51/20/18/607512018.db2.gz GISVZDJKUPTNKU-JOCHJYFZSA-N 1 0 389.507 2.750 20 0 GFADRO Cn1cc(C[N@H+](C)CCCOc2ccc(-c3nn[nH]n3)cc2)c(C(F)(F)F)n1 ZINC000825923070 607555081 /nfs/dbraw/zinc/55/50/81/607555081.db2.gz AVJASIMAJMICRZ-UHFFFAOYSA-N 1 0 395.389 2.520 20 0 GFADRO COc1sc(C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)cc1Br ZINC000826222261 607564896 /nfs/dbraw/zinc/56/48/96/607564896.db2.gz PSHQLFLBHSQMPR-UHFFFAOYSA-N 1 0 380.271 2.989 20 0 GFADRO CC[N@H+](Cc1ccc(C(=O)OCc2ccnc(-c3nn[nH]n3)c2)cc1)C(C)C ZINC000825434653 607605043 /nfs/dbraw/zinc/60/50/43/607605043.db2.gz CTCYAMMTKUTUPN-UHFFFAOYSA-N 1 0 380.452 2.849 20 0 GFADRO CC[NH+](CC)[C@@H](C(=O)NCc1ccc(OC)c(-c2nn[nH]n2)c1)c1ccccc1 ZINC000825406366 607608481 /nfs/dbraw/zinc/60/84/81/607608481.db2.gz LYFQYQPQCHDDEX-LJQANCHMSA-N 1 0 394.479 2.575 20 0 GFADRO COc1ccc(-c2nn[nH]n2)cc1CN1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000826182261 607615661 /nfs/dbraw/zinc/61/56/61/607615661.db2.gz FVYBCAYHNYDPMI-IAGOWNOFSA-N 1 0 384.528 2.962 20 0 GFADRO COc1ccc(-c2nn[nH]n2)cc1CN1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000826182260 607615676 /nfs/dbraw/zinc/61/56/76/607615676.db2.gz FVYBCAYHNYDPMI-DLBZAZTESA-N 1 0 384.528 2.962 20 0 GFADRO C[C@H]([NH2+]CC(=O)NCc1ccc(-c2nn[nH]n2)cc1)c1ccc2c(c1)CCCC2 ZINC000824562042 607637052 /nfs/dbraw/zinc/63/70/52/607637052.db2.gz CAHLXCCYDSVZBT-HNNXBMFYSA-N 1 0 390.491 2.713 20 0 GFADRO COc1ccc(-c2nn[nH]n2)cc1C[N@@H+]1CCCC[C@H]1[C@H](O)c1ccccc1 ZINC000826183337 607663198 /nfs/dbraw/zinc/66/31/98/607663198.db2.gz MMYHOMKYPSDBDY-AZUAARDMSA-N 1 0 379.464 2.963 20 0 GFADRO COc1cc(OC)cc([C@H](C(=O)[O-])[N@@H+]2CC[C@H](CNc3cc(C)cc[nH+]3)C2)c1 ZINC000832040971 604465151 /nfs/dbraw/zinc/46/51/51/604465151.db2.gz MOLCXIFGQFNKAS-FOIQADDNSA-N 1 0 385.464 2.967 20 0 GFADRO Fc1ccc(/C=C\C[NH2+]C2CCN(c3ccc(-c4nn[nH]n4)cn3)CC2)cc1 ZINC000826374333 607701095 /nfs/dbraw/zinc/70/10/95/607701095.db2.gz VREWDSUHFBVDFP-UPHRSURJSA-N 1 0 379.443 2.673 20 0 GFADRO CCc1cc(N2CCN(c3ccc(-c4nn[nH]n4)cn3)CC2)c2ccccc2[nH+]1 ZINC000825700354 607723960 /nfs/dbraw/zinc/72/39/60/607723960.db2.gz CHGUOKIIVYJBPM-UHFFFAOYSA-N 1 0 386.463 2.699 20 0 GFADRO COc1cccc(OCC[NH+]2CCC(Oc3cccc(-c4nn[nH]n4)c3)CC2)c1 ZINC000826217273 607740494 /nfs/dbraw/zinc/74/04/94/607740494.db2.gz GANAQQWVPGPZPJ-UHFFFAOYSA-N 1 0 395.463 2.798 20 0 GFADRO O=C([O-])NC1CCC([NH2+]CC2CC[NH+](C[C@@H](O)c3ccccc3)CC2)CC1 ZINC000834164686 605610669 /nfs/dbraw/zinc/61/06/69/605610669.db2.gz JNAJQUWTWAYDOV-SOAGJPPSSA-N 1 0 375.513 2.600 20 0 GFADRO C[C@H]1[C@H](Cc2ccccc2)CC[N@@H+]1CC(=O)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000820643773 606112256 /nfs/dbraw/zinc/11/22/56/606112256.db2.gz ZGGSWFFQJSSXQQ-YJBOKZPZSA-N 1 0 376.464 2.758 20 0 GFADRO C[C@H](C(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2)[N@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000819876942 606115274 /nfs/dbraw/zinc/11/52/74/606115274.db2.gz KPWCTRRIHOVMIX-UPJWGTAASA-N 1 0 386.525 2.866 20 0 GFADRO CC[NH+](CC)CCO[C@@H]1CCN(c2ccc(-c3nn[nH]n3)c(C(F)(F)F)c2)C1 ZINC000821188796 606139702 /nfs/dbraw/zinc/13/97/02/606139702.db2.gz CUNRKHVHNVRYSX-CQSZACIVSA-N 1 0 398.433 2.823 20 0 GFADRO C[C@H](c1ccc([S@@](C)=O)cc1)[N@H+](C)CCOc1ccccc1-c1nn[nH]n1 ZINC000820563299 606159633 /nfs/dbraw/zinc/15/96/33/606159633.db2.gz PSQVGBOGVILILR-LOKFHWFJSA-N 1 0 385.493 2.676 20 0 GFADRO C[NH+](C)Cc1ccc(-c2noc(CNc3ccc(-c4nn[nH]n4)cc3)n2)cc1 ZINC000821587077 606182615 /nfs/dbraw/zinc/18/26/15/606182615.db2.gz FSFQCKBIRXTLOC-UHFFFAOYSA-N 1 0 376.424 2.590 20 0 GFADRO Cn1cc(-c2nn[nH]n2)cc1-c1nc(-c2cccc(C[NH+]3CCCCC3)c2)no1 ZINC000822622274 606251364 /nfs/dbraw/zinc/25/13/64/606251364.db2.gz AHPJVTUICLWMQN-UHFFFAOYSA-N 1 0 390.451 2.908 20 0 GFADRO C[C@@H](CNC(=O)c1ccc(Sc2ccccc2-c2nn[nH]n2)cc1)[NH+](C)C ZINC000820270015 606255352 /nfs/dbraw/zinc/25/53/52/606255352.db2.gz SDVDKKPGQGUUIE-ZDUSSCGKSA-N 1 0 382.493 2.698 20 0 GFADRO C[C@H](CNC(=O)c1ccc(Sc2ccccc2-c2nn[nH]n2)cc1)[NH+](C)C ZINC000820270014 606255362 /nfs/dbraw/zinc/25/53/62/606255362.db2.gz SDVDKKPGQGUUIE-CYBMUJFWSA-N 1 0 382.493 2.698 20 0 GFADRO C[N@H+](CCCc1ccccc1)[C@H]1CCN(c2sccc2-c2nn[nH]n2)C1=O ZINC000821600659 606315889 /nfs/dbraw/zinc/31/58/89/606315889.db2.gz XJZIIUSTPQNUQV-INIZCTEOSA-N 1 0 382.493 2.598 20 0 GFADRO Cc1ccccc1[C@@H]1CC[N@@H+]([C@@H]2CCN(c3sccc3-c3nn[nH]n3)C2=O)C1 ZINC000822350181 606319545 /nfs/dbraw/zinc/31/95/45/606319545.db2.gz BEOAQJGCUBTKDT-RHSMWYFYSA-N 1 0 394.504 2.831 20 0 GFADRO C[C@@H]1[C@H](c2ccccc2)CC[N@@H+]1[C@@H]1CCN(c2sccc2-c2nn[nH]n2)C1=O ZINC000820641609 606337642 /nfs/dbraw/zinc/33/76/42/606337642.db2.gz DMRDUBTUEBSLGD-FRFSOERESA-N 1 0 394.504 2.912 20 0 GFADRO C[C@@H]1[C@H](c2ccccc2)CC[N@@H+]1[C@@H]1CCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000820643562 606337743 /nfs/dbraw/zinc/33/77/43/606337743.db2.gz XCQXTHXRKYLBLE-CDHQVMDDSA-N 1 0 388.475 2.850 20 0 GFADRO O=C(NC[C@@H]1CCC[N@@H+](Cc2cc(-c3nn[nH]n3)ccc2F)C1)c1ccccc1 ZINC000823175251 606379414 /nfs/dbraw/zinc/37/94/14/606379414.db2.gz CZTPSFHYSGMBEX-HNNXBMFYSA-N 1 0 394.454 2.648 20 0 GFADRO CC[NH+]1CCN(Cc2ccccc2CNc2ccc(-c3nn[nH]n3)cc2F)CC1 ZINC000821276113 606453838 /nfs/dbraw/zinc/45/38/38/606453838.db2.gz HIQMEYGDZAATQY-UHFFFAOYSA-N 1 0 395.486 2.755 20 0 GFADRO c1nc2ccc(-c3nn[nH]n3)cn2c1C[NH2+]C[C@H]1SCCc2ccccc21 ZINC000823797423 606483699 /nfs/dbraw/zinc/48/36/99/606483699.db2.gz OJUNUWWVNJKNRI-QGZVFWFLSA-N 1 0 377.477 2.635 20 0 GFADRO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@H]1N2C(=O)c1cc(-c2nn[nH]n2)cs1 ZINC000822274702 606487932 /nfs/dbraw/zinc/48/79/32/606487932.db2.gz GNCDXJDQXHBRLM-GDBMZVCRSA-N 1 0 380.477 2.685 20 0 GFADRO C[NH+]1CCC(N(C(=O)Cc2cccc(-c3nn[nH]n3)c2)c2ccccc2)CC1 ZINC000821621932 606513606 /nfs/dbraw/zinc/51/36/06/606513606.db2.gz LSSODVGJHPCUFC-UHFFFAOYSA-N 1 0 376.464 2.537 20 0 GFADRO C[NH+](C)CCn1ccc2ccc(NC(=O)Cc3cccc(-c4nn[nH]n4)c3)cc21 ZINC000821587298 606569818 /nfs/dbraw/zinc/56/98/18/606569818.db2.gz PWOHKYWAMDIYHT-UHFFFAOYSA-N 1 0 389.463 2.564 20 0 GFADRO C[C@@H]1CC[N@H+](CCOc2ccc(NC(=O)c3ccc(-c4nn[nH]n4)s3)cc2)C1 ZINC000820723258 606580751 /nfs/dbraw/zinc/58/07/51/606580751.db2.gz YPDQPYVRLRNCAE-CYBMUJFWSA-N 1 0 398.492 2.901 20 0 GFADRO C[NH+](C)[C@H]1CCC[C@@H](NC(=S)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)C1 ZINC000821581759 606618679 /nfs/dbraw/zinc/61/86/79/606618679.db2.gz UQYCBNFJLKGZGM-PWSUYJOCSA-N 1 0 379.921 2.679 20 0 GFADRO CC[NH+](CC)[C@H](CNC(=O)c1c(F)cc(-c2nn[nH]n2)cc1F)c1ccco1 ZINC000821181001 606674334 /nfs/dbraw/zinc/67/43/34/606674334.db2.gz INWGGYVIYWOVRX-CQSZACIVSA-N 1 0 390.394 2.551 20 0 GFADRO CC[N@H+]1C[C@H](NC(=O)c2cccc(Oc3ccc(-c4nn[nH]n4)cc3)c2)[C@@H](C)C1 ZINC000821242850 606692112 /nfs/dbraw/zinc/69/21/12/606692112.db2.gz XASRVIVBWNWQEF-LIRRHRJNSA-N 1 0 392.463 2.729 20 0 GFADRO O=C(CC[N@H+]1CC[C@@H](c2ccc(F)cc2)C1)Nc1cccc(-c2nn[nH]n2)c1 ZINC000822964920 606715234 /nfs/dbraw/zinc/71/52/34/606715234.db2.gz SUZSVEKLBQINRC-MRXNPFEDSA-N 1 0 380.427 2.824 20 0 GFADRO C[C@@]1(c2ccccc2)CC[N@@H+]([C@H]2CCN(c3sccc3-c3nn[nH]n3)C2=O)C1 ZINC000820633365 606717870 /nfs/dbraw/zinc/71/78/70/606717870.db2.gz AUGYNMKZOIJWAM-OXJNMPFZSA-N 1 0 394.504 2.697 20 0 GFADRO Cc1ccc(C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)c(OC[C@H]2CCOC2)c1 ZINC000822238852 606727806 /nfs/dbraw/zinc/72/78/06/606727806.db2.gz XMSMNTPZMWIMJR-KRWDZBQOSA-N 1 0 379.464 2.880 20 0 GFADRO Cc1ccc(C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)c(OC[C@H]2CCOC2)c1 ZINC000822238536 606727989 /nfs/dbraw/zinc/72/79/89/606727989.db2.gz LPPBSFCITNCZFF-AWEZNQCLSA-N 1 0 385.493 2.942 20 0 GFADRO COC(=O)[C@H](C)[C@H]([NH2+]CCCOc1ccc(-c2nn[nH]n2)cc1)c1ccccc1 ZINC000821639031 606770569 /nfs/dbraw/zinc/77/05/69/606770569.db2.gz NONOTBSXFCFDAD-BEFAXECRSA-N 1 0 395.463 2.776 20 0 GFADRO COc1cc(OC)cc(N2CC[C@H](C[NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)c1 ZINC000821723741 606771697 /nfs/dbraw/zinc/77/16/97/606771697.db2.gz IUNWXULIJZKVHV-MRXNPFEDSA-N 1 0 394.479 2.500 20 0 GFADRO Cc1cc(-c2nn[nH]n2)ccc1Oc1ccc(C(=O)NC2CC[NH+](C)CC2)cc1 ZINC000822146246 606776841 /nfs/dbraw/zinc/77/68/41/606776841.db2.gz WRMKJCGEMGSYHD-UHFFFAOYSA-N 1 0 392.463 2.791 20 0 GFADRO CC(=O)Oc1ccc(C[NH+]2CCC(Oc3ccc(-c4nn[nH]n4)cc3)CC2)cc1 ZINC000819827731 606821547 /nfs/dbraw/zinc/82/15/47/606821547.db2.gz WBGVYBQPYFTCCC-UHFFFAOYSA-N 1 0 393.447 2.835 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)[C@H](C)C1 ZINC000821255027 606834572 /nfs/dbraw/zinc/83/45/72/606834572.db2.gz SDNLJMKOCQIUEU-IAQYHMDHSA-N 1 0 377.880 2.714 20 0 GFADRO C[N@@H+](Cc1ccc(OC(F)(F)F)cc1)C[C@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821611186 606850606 /nfs/dbraw/zinc/85/06/06/606850606.db2.gz UYYHZNOVEBKARD-INIZCTEOSA-N 1 0 393.369 2.931 20 0 GFADRO CCCCOc1ccc(C[NH2+]C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)cc1OC ZINC000821077499 606854014 /nfs/dbraw/zinc/85/40/14/606854014.db2.gz INHNIWFDHFSIIL-SFHVURJKSA-N 1 0 397.479 2.877 20 0 GFADRO O[C@@H](C[N@@H+](Cc1cccc(F)c1)C[C@H]1CCCO1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823675714 606890807 /nfs/dbraw/zinc/89/08/07/606890807.db2.gz YZMZDBDARIJNIV-UXHICEINSA-N 1 0 397.454 2.720 20 0 GFADRO COc1cccc(C2CC[NH+](C[C@H](O)c3ccc(-c4nn[nH]n4)cc3)CC2)c1 ZINC000821864183 606892538 /nfs/dbraw/zinc/89/25/38/606892538.db2.gz URVLCTDWWJAHJW-FQEVSTJZSA-N 1 0 379.464 2.788 20 0 GFADRO FC(F)(F)c1ccc(NC2CC[NH+](C[C@H]3CCCO3)CC2)c(-c2nn[nH]n2)c1 ZINC000822723754 606921491 /nfs/dbraw/zinc/92/14/91/606921491.db2.gz NITHNCBSMBPUPD-CQSZACIVSA-N 1 0 396.417 2.941 20 0 GFADRO COC(=O)[C@H](C)[C@@H]([NH2+]CCCOc1cccc(-c2nn[nH]n2)c1)c1ccccc1 ZINC000821638939 606930280 /nfs/dbraw/zinc/93/02/80/606930280.db2.gz LRCSVBMSWIGFHT-DNVCBOLYSA-N 1 0 395.463 2.776 20 0 GFADRO CCN1C[C@H](C[N@H+](C)Cc2ccc(F)c(-c3nn[nH]n3)c2)Oc2ccccc21 ZINC000821242542 606961334 /nfs/dbraw/zinc/96/13/34/606961334.db2.gz VARHXDUBJXSSMY-HNNXBMFYSA-N 1 0 382.443 2.725 20 0 GFADRO O=C(Nc1cccc(F)c1)C1CC[NH+](Cc2ccc(F)c(-c3nn[nH]n3)c2)CC1 ZINC000823364084 606968881 /nfs/dbraw/zinc/96/88/81/606968881.db2.gz YUDZFAGGWHIFMD-UHFFFAOYSA-N 1 0 398.417 2.996 20 0 GFADRO C[N@H+](CCC(=O)OC(C)(C)C)Cc1ccc(-c2nn[nH]n2)cc1OC(F)F ZINC000821599230 606984083 /nfs/dbraw/zinc/98/40/83/606984083.db2.gz LEBNDIBQSULBDF-UHFFFAOYSA-N 1 0 383.399 2.632 20 0 GFADRO C[C@@H](Cc1ccc(F)cc1)[NH2+]C1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1 ZINC000820294477 607045804 /nfs/dbraw/zinc/04/58/04/607045804.db2.gz SXPRYWSTXYMMGJ-AWEZNQCLSA-N 1 0 381.459 2.590 20 0 GFADRO CC[C@@H]([NH2+]C1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1)c1cccc(OC)c1 ZINC000820925751 607046511 /nfs/dbraw/zinc/04/65/11/607046511.db2.gz LJHIFCADLNAUAL-LJQANCHMSA-N 1 0 393.495 2.980 20 0 GFADRO CN(C(=O)OC(C)(C)C)[C@@H]1CCC[N@H+](Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC000821572281 607062599 /nfs/dbraw/zinc/06/25/99/607062599.db2.gz YLUHYGTUSKZGLW-OAHLLOKOSA-N 1 0 390.463 2.837 20 0 GFADRO O=C(OCc1cc(F)ccc1-c1nn[nH]n1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000823413473 607084956 /nfs/dbraw/zinc/08/49/56/607084956.db2.gz IDBHQLIZKSXVGF-UHFFFAOYSA-N 1 0 395.438 2.961 20 0 GFADRO C[C@H](NC(=O)Nc1cc(-c2nn[nH]n2)ccc1OC(F)F)C(C)(C)C[NH+](C)C ZINC000820375080 607093591 /nfs/dbraw/zinc/09/35/91/607093591.db2.gz XSLWYEVBSXSLEX-JTQLQIEISA-N 1 0 397.430 2.566 20 0 GFADRO CC(C)[C@H](C(=O)Nc1ccc(Oc2cccc(-c3nn[nH]n3)c2)nc1)[NH+](C)C ZINC000735691868 607155166 /nfs/dbraw/zinc/15/51/66/607155166.db2.gz QEXBYRQTCQGAKF-QGZVFWFLSA-N 1 0 381.440 2.579 20 0 GFADRO COc1cc(N[C@@H]2CCC[N@H+](Cc3ccccc3-c3nn[nH]n3)C2)cc(OC)c1 ZINC000821719650 607177657 /nfs/dbraw/zinc/17/76/57/607177657.db2.gz GVMBARLLYDVOSV-MRXNPFEDSA-N 1 0 394.479 2.960 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(-c3nn[nH]n3)cc2Cl)C[C@@H]1C ZINC000821253978 607203411 /nfs/dbraw/zinc/20/34/11/607203411.db2.gz JXDBYTGQIAZLRR-WCQYABFASA-N 1 0 377.880 2.857 20 0 GFADRO O=C(Nc1ccc(-c2nn[nH]n2)cc1Cl)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000823314179 607204956 /nfs/dbraw/zinc/20/49/56/607204956.db2.gz NNIJOGQESMXQBK-CYBMUJFWSA-N 1 0 375.864 2.612 20 0 GFADRO Cc1cc(F)ccc1NC(=O)N(CC[NH+](C)C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000826268528 607780885 /nfs/dbraw/zinc/78/08/85/607780885.db2.gz BIFGGAXDYAAXKA-UHFFFAOYSA-N 1 0 397.458 2.910 20 0 GFADRO CCC[C@@H]1[C@H](C)CCC[N@@H+]1CCS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000825251550 607816117 /nfs/dbraw/zinc/81/61/17/607816117.db2.gz CCWDYBIBLIMAOY-RHSMWYFYSA-N 1 0 377.514 2.541 20 0 GFADRO CCC[C@H]1[C@@H](C)CCC[N@@H+]1CCS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000825251552 607816227 /nfs/dbraw/zinc/81/62/27/607816227.db2.gz CCWDYBIBLIMAOY-YOEHRIQHSA-N 1 0 377.514 2.541 20 0 GFADRO COc1ccc(C[N@H+](Cc2ccccc2)[C@@H](CO)C2CC2)cc1-c1nn[nH]n1 ZINC000826193370 607858126 /nfs/dbraw/zinc/85/81/26/607858126.db2.gz BODPGMGHIMXOOH-IBGZPJMESA-N 1 0 379.464 2.648 20 0 GFADRO CC[C@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1c1cccc(-c2nn[nH]n2)n1 ZINC000825058835 607902903 /nfs/dbraw/zinc/90/29/03/607902903.db2.gz AOGCMQZYWDBFRW-HNAYVOBHSA-N 1 0 392.511 2.702 20 0 GFADRO CC[N@H+](Cc1ccc(OC)cc1)Cc1cccc(C(=O)OC)c1-c1nn[nH]n1 ZINC000825435044 607921666 /nfs/dbraw/zinc/92/16/66/607921666.db2.gz JWPZRDICNWRMGK-UHFFFAOYSA-N 1 0 381.436 2.684 20 0 GFADRO CCO[C@H]1C[C@@H]([N@H+](C)Cc2cccc(C(=O)OC)c2-c2nn[nH]n2)C12CCCC2 ZINC000825582610 607925238 /nfs/dbraw/zinc/92/52/38/607925238.db2.gz LYDLVJPJXXWKDI-SJORKVTESA-N 1 0 399.495 2.823 20 0 GFADRO Cc1cc(F)cc2c1ncc(-c1nn[nH]n1)c2N[C@@H]1C[N@@H+](C)Cc2ccccc21 ZINC000826268044 607936726 /nfs/dbraw/zinc/93/67/26/607936726.db2.gz HSNRDHZROCLVLW-GOSISDBHSA-N 1 0 389.438 2.883 20 0 GFADRO O[C@@H]1C[C@@H](c2ccc(F)cc2)[N@H+](Cc2cn3ccccc3c2-c2nn[nH]n2)C1 ZINC000826506353 607943401 /nfs/dbraw/zinc/94/34/01/607943401.db2.gz SPBWKYWLKTYSMU-AEFFLSMTSA-N 1 0 378.411 2.566 20 0 GFADRO COc1ccc(C[NH2+]C[C@@H](C)c2nc(-c3ccccc3)no2)cc1-c1nn[nH]n1 ZINC000826202834 608027450 /nfs/dbraw/zinc/02/74/50/608027450.db2.gz PDPVXDVWBHACHA-CYBMUJFWSA-N 1 0 391.435 2.819 20 0 GFADRO COc1cc(-c2nn[nH]n2)ccc1OCC[N@@H+]1CC[C@@H](Oc2cccc(F)c2)C1 ZINC000826175621 608128342 /nfs/dbraw/zinc/12/83/42/608128342.db2.gz LCUYWDQMEIZFGB-QGZVFWFLSA-N 1 0 399.426 2.547 20 0 GFADRO CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]2C[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C[C@H]21 ZINC000824109853 608129653 /nfs/dbraw/zinc/12/96/53/608129653.db2.gz XAXBXVATRXUHBB-RCCFBDPRSA-N 1 0 398.511 2.992 20 0 GFADRO CC[N@H+](C[C@H](O)c1ccc(C)cc1)[C@@H](C)C(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000825398879 608158000 /nfs/dbraw/zinc/15/80/00/608158000.db2.gz ACSWQUWPSGIJAM-KXBFYZLASA-N 1 0 394.479 2.558 20 0 GFADRO CC[N@H+](CCC1CCN(C(=O)c2sccc2-c2nn[nH]n2)CC1)CC1CC1 ZINC000825419208 608202490 /nfs/dbraw/zinc/20/24/90/608202490.db2.gz LBTKIBRPTWUVTH-UHFFFAOYSA-N 1 0 388.541 2.902 20 0 GFADRO CC[N@H+](CCC1CCN(C(=O)c2cc(-c3nn[nH]n3)cs2)CC1)CC1CC1 ZINC000825419931 608202961 /nfs/dbraw/zinc/20/29/61/608202961.db2.gz VMXJEJJDXALPQT-UHFFFAOYSA-N 1 0 388.541 2.902 20 0 GFADRO CC(C)n1cnnc1[C@H]1CCC[N@H+](CCCOc2cccc(-c3nn[nH]n3)c2)C1 ZINC000824377816 608257903 /nfs/dbraw/zinc/25/79/03/608257903.db2.gz OAHBHWMZRZHSTE-KRWDZBQOSA-N 1 0 396.499 2.688 20 0 GFADRO COCCc1nc(C)c([C@@H](C)[NH2+]CCOc2ccc(-c3nn[nH]n3)cc2)s1 ZINC000826163017 608282907 /nfs/dbraw/zinc/28/29/07/608282907.db2.gz CJGBWXHGADENHA-GFCCVEGCSA-N 1 0 388.497 2.550 20 0 GFADRO C[C@@H](CC1CCOCC1)[NH2+]C1CCC(Oc2ccc(-c3nn[nH]n3)cn2)CC1 ZINC000824401688 608287615 /nfs/dbraw/zinc/28/76/15/608287615.db2.gz RVULZDZZSUQNIO-NNGSBXSVSA-N 1 0 386.500 2.747 20 0 GFADRO C[NH+](C)CCCCC(=O)NCc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000825859352 608327422 /nfs/dbraw/zinc/32/74/22/608327422.db2.gz FGZRDGDYXNIBNW-UHFFFAOYSA-N 1 0 378.480 2.882 20 0 GFADRO COc1cc(-c2nn[nH]n2)ccc1CN1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000826168897 608356869 /nfs/dbraw/zinc/35/68/69/608356869.db2.gz BNQLHQSLFADDGX-KRWDZBQOSA-N 1 0 384.528 2.819 20 0 GFADRO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccc(-c2nn[nH]n2)cc1OC(F)F ZINC000825219450 608407778 /nfs/dbraw/zinc/40/77/78/608407778.db2.gz JPJZLLGBXKGNQY-HUUCEWRRSA-N 1 0 378.427 2.527 20 0 GFADRO C[C@@H](C[NH+]1CCCCC1)NC(=O)N1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000824413698 608417782 /nfs/dbraw/zinc/41/77/82/608417782.db2.gz OLAGHXXDCOXWHO-INIZCTEOSA-N 1 0 395.511 2.540 20 0 GFADRO Cn1cnc2cc(C[NH2+]C3CCN(c4ccc(-c5nn[nH]n5)cc4)CC3)ccc21 ZINC000826365187 608426654 /nfs/dbraw/zinc/42/66/54/608426654.db2.gz FDEZKTHNPOCIGF-UHFFFAOYSA-N 1 0 388.479 2.512 20 0 GFADRO COc1ccc(C[NH2+]Cc2c(C3CC3)nc3sccn23)cc1-c1nn[nH]n1 ZINC000826203032 608428325 /nfs/dbraw/zinc/42/83/25/608428325.db2.gz WUDLGUAOENMJDN-UHFFFAOYSA-N 1 0 381.465 2.752 20 0 GFADRO CC[C@H]([NH2+]CC(=O)NCc1cccc(-c2nn[nH]n2)c1)c1cccc(Cl)c1 ZINC000825144384 608434146 /nfs/dbraw/zinc/43/41/46/608434146.db2.gz ZSZLYTLKPFUDNH-KRWDZBQOSA-N 1 0 384.871 2.877 20 0 GFADRO CCOc1ccccc1[C@@H](CC)[NH2+]CC(=O)NCc1cccc(-c2nn[nH]n2)c1 ZINC000825654022 608458537 /nfs/dbraw/zinc/45/85/37/608458537.db2.gz MUAFCXRNKZGXOA-GOSISDBHSA-N 1 0 394.479 2.623 20 0 GFADRO C[C@@H]([NH2+]CCCS(=O)(=O)c1ccc(F)cc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824594293 608467771 /nfs/dbraw/zinc/46/77/71/608467771.db2.gz ZTOOUYOKPMVANB-CYBMUJFWSA-N 1 0 389.456 2.520 20 0 GFADRO C[C@@H]([NH2+]Cc1ccc(F)cc1-c1nn[nH]n1)c1cccc(N2CCOC2=O)c1 ZINC000824618672 608474442 /nfs/dbraw/zinc/47/44/42/608474442.db2.gz QWDFEILJKLQOHM-GFCCVEGCSA-N 1 0 382.399 2.813 20 0 GFADRO CC(C)Oc1cccc(CNC(=O)C[NH2+][C@H](C)c2cccc(-c3nn[nH]n3)c2)c1 ZINC000824333777 608486719 /nfs/dbraw/zinc/48/67/19/608486719.db2.gz MCBUAJZHZCBDOM-OAHLLOKOSA-N 1 0 394.479 2.621 20 0 GFADRO COc1ccccc1[C@H](C)N(C)C(=O)C[NH2+][C@H](C)c1cccc(-c2nn[nH]n2)c1 ZINC000826219129 608488836 /nfs/dbraw/zinc/48/88/36/608488836.db2.gz UGTKVDQNVPZTBA-CABCVRRESA-N 1 0 394.479 2.746 20 0 GFADRO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc(OC(C)C)c(-c2nn[nH]n2)c1 ZINC000825219152 608495238 /nfs/dbraw/zinc/49/52/38/608495238.db2.gz HTWUANXRWMCVCT-HZPDHXFCSA-N 1 0 399.499 2.744 20 0 GFADRO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1ccc(-c2nn[nH]n2)cc1Cl ZINC000825219810 608495244 /nfs/dbraw/zinc/49/52/44/608495244.db2.gz MMNNYSIFEYXZRG-STQMWFEESA-N 1 0 375.864 2.611 20 0 GFADRO Oc1ccc(CN2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)cc1Cl ZINC000826511427 608502820 /nfs/dbraw/zinc/50/28/20/608502820.db2.gz PLGFVTYGHHSGDO-UHFFFAOYSA-N 1 0 384.871 2.544 20 0 GFADRO c1cc(CN2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)cc2c1COC2 ZINC000826514433 608509555 /nfs/dbraw/zinc/50/95/55/608509555.db2.gz QZPBVIDWPQKVKG-UHFFFAOYSA-N 1 0 390.491 2.605 20 0 GFADRO CC(=O)Nc1cccc(OCC[NH2+][C@@H]2CCCc3cc(-c4nn[nH]n4)ccc32)c1 ZINC000824005276 608519793 /nfs/dbraw/zinc/51/97/93/608519793.db2.gz MPXATQIVUPSYRB-HXUWFJFHSA-N 1 0 392.463 2.871 20 0 GFADRO Cc1ccc(C)c(OC[C@H](O)C[NH2+]C2(c3cccc(-c4nn[nH]n4)c3)CC2)c1 ZINC000826285307 608529434 /nfs/dbraw/zinc/52/94/34/608529434.db2.gz VMUAJCZEYWJCAX-GOSISDBHSA-N 1 0 379.464 2.502 20 0 GFADRO O=C(C[NH2+]C1(c2cccc(-c3nn[nH]n3)c2)CC1)N[C@H](c1ccccc1)C1CC1 ZINC000826412372 608531839 /nfs/dbraw/zinc/53/18/39/608531839.db2.gz LPKARIJXHWEQKU-HXUWFJFHSA-N 1 0 388.475 2.713 20 0 GFADRO CCCCCC[N@H+](CCN1CCOCC1)Cc1cc(-c2nn[nH]n2)cs1 ZINC000825271461 608635713 /nfs/dbraw/zinc/63/57/13/608635713.db2.gz KCJXDGKNPYKCOO-UHFFFAOYSA-N 1 0 378.546 2.643 20 0 GFADRO O=C(Nc1ccc(F)cc1)C1CC[NH+](Cc2ccc(-c3nn[nH]n3)s2)CC1 ZINC000826454124 608676190 /nfs/dbraw/zinc/67/61/90/608676190.db2.gz KGSVCOSUJSTYLF-UHFFFAOYSA-N 1 0 386.456 2.918 20 0 GFADRO O=C(Nc1cccc(CC[NH+]2CCCC2)c1)c1ncc(-c2nn[nH]n2)cc1Cl ZINC000826456509 608829394 /nfs/dbraw/zinc/82/93/94/608829394.db2.gz IMNIRPDWZRGTRR-UHFFFAOYSA-N 1 0 397.870 2.806 20 0 GFADRO C[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)C[N@@H+]1Cc1ccc(-c2nn[nH]n2)s1 ZINC000824884335 608844959 /nfs/dbraw/zinc/84/49/59/608844959.db2.gz NLAYMGQTIYLYSJ-NEPJUHHUSA-N 1 0 378.502 2.663 20 0 GFADRO c1[nH]nc(-c2cccnc2)c1C[N@H+]1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000823868366 608856416 /nfs/dbraw/zinc/85/64/16/608856416.db2.gz YEKMBULVYAIRCL-UHFFFAOYSA-N 1 0 384.447 2.941 20 0 GFADRO C[C@H]([NH2+]Cc1cccc(CN2CCOCC2)c1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824618626 609133480 /nfs/dbraw/zinc/13/34/80/609133480.db2.gz QHMJMKDDRNENEJ-HNNXBMFYSA-N 1 0 396.470 2.689 20 0 GFADRO C[C@@H]([NH2+][C@@H](C)c1ccc(-c2nn[nH]n2)c(F)c1)c1ccc(-n2ccnn2)cc1 ZINC000824532859 609154170 /nfs/dbraw/zinc/15/41/70/609154170.db2.gz XHKQYZVZSMJXME-OLZOCXBDSA-N 1 0 378.415 2.998 20 0 GFADRO CC[C@@H]1C[C@@H](C[N@@H+]2CCCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)CCO1 ZINC000825184670 609170575 /nfs/dbraw/zinc/17/05/75/609170575.db2.gz XTDQZRRSHAWFDO-AZUAARDMSA-N 1 0 384.528 2.580 20 0 GFADRO C[NH+](C)CCN(Cc1cccs1)C(=O)c1ccc(Cl)c(-c2nn[nH]n2)c1 ZINC000825865416 609293801 /nfs/dbraw/zinc/29/38/01/609293801.db2.gz DGSFHOLKIJJZCF-UHFFFAOYSA-N 1 0 390.900 2.786 20 0 GFADRO C[C@@H](NC(=O)N[C@@H](C)c1ccc(-c2nn[nH]n2)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000824491333 609300261 /nfs/dbraw/zinc/30/02/61/609300261.db2.gz TUZTWQMBMOBYEE-DAYGRLMNSA-N 1 0 397.527 2.880 20 0 GFADRO Cn1cc(C[NH2+]CCc2ccccc2F)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826361947 609336019 /nfs/dbraw/zinc/33/60/19/609336019.db2.gz WZZNPUGBJQZVOV-UHFFFAOYSA-N 1 0 377.427 2.739 20 0 GFADRO Cc1noc(C)c1CCC[NH2+]Cc1cn(C)nc1-c1ccc(-c2nn[nH]n2)cc1 ZINC000826338895 609341587 /nfs/dbraw/zinc/34/15/87/609341587.db2.gz LAVVISPKCZMKGY-UHFFFAOYSA-N 1 0 392.467 2.594 20 0 GFADRO CC(C)[C@@H]1C[C@H]([NH2+]Cc2cn(C)nc2-c2ccc(-c3nn[nH]n3)cc2)CCO1 ZINC000824216512 609344184 /nfs/dbraw/zinc/34/41/84/609344184.db2.gz SRCNSZLJRXXAGD-MSOLQXFVSA-N 1 0 381.484 2.560 20 0 GFADRO CN(C(=O)c1ccccc1Oc1ccccc1-c1nn[nH]n1)C1CC[NH+](C)CC1 ZINC000826021662 609361658 /nfs/dbraw/zinc/36/16/58/609361658.db2.gz BXQRKLRREPVXFP-UHFFFAOYSA-N 1 0 392.463 2.825 20 0 GFADRO CC[NH+](CC)C[C@@H]1CCN(Cc2ccc(-c3nn[nH]n3)cc2Br)C1 ZINC000825412289 609361719 /nfs/dbraw/zinc/36/17/19/609361719.db2.gz NMCGRVGCKMPSAP-ZDUSSCGKSA-N 1 0 393.333 2.793 20 0 GFADRO C[C@@H]1CC[N@H+](CCNC(=O)c2ccccc2Oc2ccccc2-c2nn[nH]n2)C1 ZINC000824957331 609385214 /nfs/dbraw/zinc/38/52/14/609385214.db2.gz XGLDCWKXQJIZKX-OAHLLOKOSA-N 1 0 392.463 2.731 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)c2ccccc2Oc2ccccc2-c2nn[nH]n2)CC[N@@H+]1C ZINC000824894631 609385670 /nfs/dbraw/zinc/38/56/70/609385670.db2.gz ZSJSFRKEDDMGGP-CABCVRRESA-N 1 0 392.463 2.872 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O)c1ccc(F)cc1 ZINC000824548347 609412777 /nfs/dbraw/zinc/41/27/77/609412777.db2.gz WIYDICATABYDCZ-SCLBCKFNSA-N 1 0 380.427 2.852 20 0 GFADRO Cn1cc(-c2nn[nH]n2)cc1C(=O)OC[C@@]1(C)CCCC[N@@H+]1Cc1ccccc1 ZINC000826358589 609437865 /nfs/dbraw/zinc/43/78/65/609437865.db2.gz ZMOMXHHFYCGORA-OAQYLSRUSA-N 1 0 394.479 2.807 20 0 GFADRO Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]Cc1cnc2ccc(-c4nn[nH]n4)cn12)CC3 ZINC000826293393 609444666 /nfs/dbraw/zinc/44/46/66/609444666.db2.gz NSCPDMMAHIIOBM-OAHLLOKOSA-N 1 0 398.474 2.951 20 0 GFADRO c1ccc(C[N@H+]2CCC[C@@H](CNc3nc4ccccn4c3-c3nn[nH]n3)C2)cc1 ZINC000826521812 609467264 /nfs/dbraw/zinc/46/72/64/609467264.db2.gz ZILAITOYABDWOB-KRWDZBQOSA-N 1 0 388.479 2.839 20 0 GFADRO O=C([C@@H]1CC12CC[NH+](Cc1cc(-c3nn[nH]n3)cs1)CC2)N1CCCCC1 ZINC000826398116 609494209 /nfs/dbraw/zinc/49/42/09/609494209.db2.gz QNRZAFYNBDBXME-INIZCTEOSA-N 1 0 386.525 2.543 20 0 GFADRO Clc1ccc(N2CCC(CCC[NH+]3CCOCC3)CC2)c(-c2nn[nH]n2)c1 ZINC000826351847 609561393 /nfs/dbraw/zinc/56/13/93/609561393.db2.gz CYXAFVFURNNQIL-UHFFFAOYSA-N 1 0 390.919 2.849 20 0 GFADRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1nccc(C)c1-c1nn[nH]n1 ZINC000825416729 609565448 /nfs/dbraw/zinc/56/54/48/609565448.db2.gz LNKQGGGLFNWPQY-GOSISDBHSA-N 1 0 377.496 2.919 20 0 GFADRO CC[C@@H]1C[C@@H](C[NH2+]C2CCC(Oc3ccc(-c4nn[nH]n4)cn3)CC2)CCO1 ZINC000825181074 609596058 /nfs/dbraw/zinc/59/60/58/609596058.db2.gz BZJCTVYQJCMSBW-FQXVJMBOSA-N 1 0 386.500 2.747 20 0 GFADRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)Nc2nnc(SCC)s2)[C@@H](C)C1 ZINC000522465111 650625147 /nfs/dbraw/zinc/62/51/47/650625147.db2.gz HGVLSVBQBAOKQB-QWHCGFSZSA-N 1 0 387.575 2.909 20 0 GFADRO C[NH+](C)CCNC(=O)Nc1nnc(-c2cc(Br)ccc2F)s1 ZINC000481984819 650657925 /nfs/dbraw/zinc/65/79/25/650657925.db2.gz WELJHVUFWXJUDV-UHFFFAOYSA-N 1 0 388.266 2.790 20 0 GFADRO COC(=O)c1c2cnn(CN(C)C[C@@H]3CCC[N@@H+]3C)c2ccc1Br ZINC000817374053 660192347 /nfs/dbraw/zinc/19/23/47/660192347.db2.gz GSYWSLQDAIHBBF-LBPRGKRZSA-N 1 0 395.301 2.569 20 0 GFADRO CN1C(=O)CN(CN2CCCC[C@H]2Cc2cccc(Br)c2)C1=O ZINC000817376780 660192473 /nfs/dbraw/zinc/19/24/73/660192473.db2.gz CSYSHTVUJUKKHE-HNNXBMFYSA-N 1 0 380.286 2.698 20 0 GFADRO COC1([C@H](C)[NH2+]Cc2ccccc2I)CCOCC1 ZINC000817420565 660194874 /nfs/dbraw/zinc/19/48/74/660194874.db2.gz VVSZHUSEIBBFEF-LBPRGKRZSA-N 1 0 375.250 2.965 20 0 GFADRO CCN(CCC[NH+](CC)CC)C(=O)c1cccc(S(=O)(=O)C(F)F)c1 ZINC000817595443 660201975 /nfs/dbraw/zinc/20/19/75/660201975.db2.gz VKEZXKOHBTZUQB-UHFFFAOYSA-N 1 0 376.469 2.877 20 0 GFADRO CC[NH+]1CCN(CC(=O)N[C@@H](C)c2ccc(C(F)(F)F)nc2Cl)CC1 ZINC000817862663 660210737 /nfs/dbraw/zinc/21/07/37/660210737.db2.gz LHKLQKNWAHJXOA-NSHDSACASA-N 1 0 378.826 2.569 20 0 GFADRO CN(C[C@@H](O)C[NH2+]Cc1ccc(F)cc1Br)C(=O)OC(C)(C)C ZINC000818166221 660218420 /nfs/dbraw/zinc/21/84/20/660218420.db2.gz GCVHLWAKVLUMLZ-ZDUSSCGKSA-N 1 0 391.281 2.906 20 0 GFADRO [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)c1sccc1SC(F)F ZINC000818585652 660229122 /nfs/dbraw/zinc/22/91/22/660229122.db2.gz KRWXRDDGLPXVHL-JTQLQIEISA-N 1 0 377.482 2.523 20 0 GFADRO CC[NH+](CC)CCS(=O)(=O)Oc1ccc(I)c(C)c1 ZINC000812531688 660029838 /nfs/dbraw/zinc/02/98/38/660029838.db2.gz VDFORHMJRRDWON-UHFFFAOYSA-N 1 0 397.278 2.650 20 0 GFADRO CS(=O)(=O)NC1(C[NH2+]C[C@H](O)c2ccc(Cl)cc2Cl)CCCCC1 ZINC000818946672 660236745 /nfs/dbraw/zinc/23/67/45/660236745.db2.gz SXEPGRXJGQEBNR-HNNXBMFYSA-N 1 0 395.352 2.869 20 0 GFADRO O=S(=O)(CC[NH2+]C[C@H](O)c1ccccc1Br)Cc1ccccc1 ZINC000818976546 660240263 /nfs/dbraw/zinc/24/02/63/660240263.db2.gz ITHRMAGCNROSIA-KRWDZBQOSA-N 1 0 398.322 2.687 20 0 GFADRO O=C1C[C@@H]([NH2+]C[C@@H](O)c2ccccc2Br)CN1c1ccccc1 ZINC000818979572 660240864 /nfs/dbraw/zinc/24/08/64/660240864.db2.gz QGJXEFDPPGTCTI-CXAGYDPISA-N 1 0 375.266 2.878 20 0 GFADRO CC(C)(C)OC(=O)NCC[NH2+]C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000818983137 660241339 /nfs/dbraw/zinc/24/13/39/660241339.db2.gz YDMMGLNXKXXCAJ-LLVKDONJSA-N 1 0 379.284 2.847 20 0 GFADRO CC(C)(C)OC(=O)NCC[C@H](O)C[NH2+]CCc1ccccc1Br ZINC000818986267 660241531 /nfs/dbraw/zinc/24/15/31/660241531.db2.gz JTAVJNJJQDECCO-AWEZNQCLSA-N 1 0 387.318 2.857 20 0 GFADRO CN(C)C(=O)[C@@H]1CCCN1CCC[NH2+]C[C@H](O)c1ccc(Cl)cc1Cl ZINC000818997775 660242662 /nfs/dbraw/zinc/24/26/62/660242662.db2.gz KUQKXRDINROASI-IRXDYDNUSA-N 1 0 388.339 2.559 20 0 GFADRO CN(c1ccc(C[NH2+]C[C@@H](O)c2ccc(Cl)c(F)c2)cc1)S(C)(=O)=O ZINC000819054060 660244794 /nfs/dbraw/zinc/24/47/94/660244794.db2.gz UFIMFVAQWOMLDU-QGZVFWFLSA-N 1 0 386.876 2.698 20 0 GFADRO CO[C@H](C[NH2+]C[C@H](O)c1ccc(S(C)(=O)=O)cc1)c1ccc(Cl)cc1 ZINC000819107368 660246798 /nfs/dbraw/zinc/24/67/98/660246798.db2.gz XRPAHLJDOFJFQY-ZWKOTPCHSA-N 1 0 383.897 2.754 20 0 GFADRO CC(C)OC(=O)[C@H](C)C[NH2+]C[C@@](C)(O)c1ccc(Br)cc1F ZINC000819116056 660247006 /nfs/dbraw/zinc/24/70/06/660247006.db2.gz MNOGIWVLWQSZSL-BDJLRTHQSA-N 1 0 376.266 2.973 20 0 GFADRO COCCC(=O)N1CCC([NH2+]C[C@H](O)c2ccc(Cl)cc2Cl)CC1 ZINC000819173377 660248702 /nfs/dbraw/zinc/24/87/02/660248702.db2.gz KBESBAKWUULATG-INIZCTEOSA-N 1 0 375.296 2.644 20 0 GFADRO C[C@](O)(C[NH2+]C[C@@]1(C)CCC(=O)N1)c1ccc(Br)cc1Cl ZINC000819360518 660256784 /nfs/dbraw/zinc/25/67/84/660256784.db2.gz CKWROYATANFJJW-CABCVRRESA-N 1 0 375.694 2.568 20 0 GFADRO Cc1cc(N2CCC[C@@H]([NH2+]C[C@H](O)c3ccccc3Br)C2)n(C)n1 ZINC000819266903 660252939 /nfs/dbraw/zinc/25/29/39/660252939.db2.gz QBUJBZMFZKXVNG-PBHICJAKSA-N 1 0 393.329 2.783 20 0 GFADRO CC(C)(C)OC(=O)CS(=O)(=O)CC[NH2+][C@H]1C[C@H](c2cccc(Cl)c2)C1 ZINC000819282695 660253564 /nfs/dbraw/zinc/25/35/64/660253564.db2.gz LMWYXFVKICNMQG-KOMQPUFPSA-N 1 0 387.929 2.932 20 0 GFADRO CCO[C@@H]1C[C@H]([NH2+]C[C@H](O)c2cccc(Br)c2)[C@@H]1n1cccn1 ZINC000819332362 660255336 /nfs/dbraw/zinc/25/53/36/660255336.db2.gz BTRLJZWTNJHYFT-NXOAAHMSSA-N 1 0 380.286 2.687 20 0 GFADRO CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH2+]C[C@@H](O)c1cccc(Br)c1 ZINC000819335868 660255523 /nfs/dbraw/zinc/25/55/23/660255523.db2.gz CPTXITUBORVJAJ-QXSJWSMHSA-N 1 0 397.313 2.937 20 0 GFADRO CCOC(=O)N1CC[C@H]([NH2+]CCC(=O)Nc2ccc(Br)cc2)C1 ZINC000819238325 660251473 /nfs/dbraw/zinc/25/14/73/660251473.db2.gz DBZBZFVRRWKMRM-AWEZNQCLSA-N 1 0 384.274 2.598 20 0 GFADRO O[C@@H](C[NH2+]Cc1cccc(N2CCOCC2)n1)c1cccc(Br)c1 ZINC000819243358 660251616 /nfs/dbraw/zinc/25/16/16/660251616.db2.gz VIJYFLWBTUBSBI-KRWDZBQOSA-N 1 0 392.297 2.504 20 0 GFADRO CCOC(=O)c1csc(CC[NH2+]C[C@@H](O)c2ccccc2Br)n1 ZINC000819255439 660252143 /nfs/dbraw/zinc/25/21/43/660252143.db2.gz AGRPIFKZXZINFY-CQSZACIVSA-N 1 0 399.310 2.948 20 0 GFADRO O=c1c(Cl)c(Cl)cnn1CN1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000819897504 660273091 /nfs/dbraw/zinc/27/30/91/660273091.db2.gz QMMASWMCBDITKD-GOEBONIOSA-N 1 0 379.291 2.714 20 0 GFADRO CCc1c(Cl)nc(CS(C)(=O)=O)nc1N(CC)CCC[NH+]1CCCC1 ZINC000819931939 660275647 /nfs/dbraw/zinc/27/56/47/660275647.db2.gz XFYPAPKJUSDSQW-UHFFFAOYSA-N 1 0 388.965 2.549 20 0 GFADRO C[C@@H]1COCC[N@@H+]1C1CCN(C(=O)[C@H](O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000820124705 660282280 /nfs/dbraw/zinc/28/22/80/660282280.db2.gz FVLQZHBZZKQSEV-SJKOYZFVSA-N 1 0 387.307 2.739 20 0 GFADRO C[C@@H](C(=O)N1CC[C@]2(CC[N@H+](C)C2)C1)c1ccc(I)cc1 ZINC000820341020 660289798 /nfs/dbraw/zinc/28/97/98/660289798.db2.gz ALJJZFBHIQKKAG-DYVFJYSZSA-N 1 0 398.288 2.949 20 0 GFADRO C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1nc(Br)c3ccccn31)C2 ZINC000821030141 660313718 /nfs/dbraw/zinc/31/37/18/660313718.db2.gz ABUUXSISHQHSQO-QGZVFWFLSA-N 1 0 377.286 2.655 20 0 GFADRO Cn1cc([C@@H]([NH2+]C[C@@H](O)c2cccc(Br)c2)C2(CO)CCC2)cn1 ZINC000821288269 660320010 /nfs/dbraw/zinc/32/00/10/660320010.db2.gz PLOKCOCVWYIWBZ-IAGOWNOFSA-N 1 0 394.313 2.710 20 0 GFADRO CCN(C(=O)C[C@H]1C(=O)Nc2c1cccc2Br)C1CC[NH+](C)CC1 ZINC000821400494 660324715 /nfs/dbraw/zinc/32/47/15/660324715.db2.gz BZRWJVUSCMOQJI-CQSZACIVSA-N 1 0 394.313 2.818 20 0 GFADRO CN(CCc1cccs1)CC(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000821607134 660329926 /nfs/dbraw/zinc/32/99/26/660329926.db2.gz ALTXOIHSKNYKBV-UHFFFAOYSA-N 1 0 376.873 2.695 20 0 GFADRO CCCC1(C[NH2+]C[C@@H](C)S(C)(=O)=O)CCN(C(=O)OC(C)(C)C)CC1 ZINC000822464930 660346122 /nfs/dbraw/zinc/34/61/22/660346122.db2.gz VPKFUAJJUXOSKJ-OAHLLOKOSA-N 1 0 376.563 2.827 20 0 GFADRO C[NH+]1CCC(ONC(=O)c2ccc3[nH]cc(I)c3c2)CC1 ZINC000822724689 660352834 /nfs/dbraw/zinc/35/28/34/660352834.db2.gz SSSGTDUHENOUAQ-UHFFFAOYSA-N 1 0 399.232 2.528 20 0 GFADRO Nc1cc(C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc(Br)n1 ZINC000822565204 660347938 /nfs/dbraw/zinc/34/79/38/660347938.db2.gz GOKHEQSUQIZFHP-AWEZNQCLSA-N 1 0 389.297 2.678 20 0 GFADRO O=C(NCC1CC[NH+](C2CCOCC2)CC1)Nc1cccc(Br)n1 ZINC000822630620 660350539 /nfs/dbraw/zinc/35/05/39/660350539.db2.gz VXFDMDHZGZVMOW-UHFFFAOYSA-N 1 0 397.317 2.857 20 0 GFADRO C[NH+]1CCN(c2ccc(Br)cc2NC(=O)/C=C/[C@@H]2CCOC2)CC1 ZINC000822809036 660354982 /nfs/dbraw/zinc/35/49/82/660354982.db2.gz NDBUNPYZXMGKPJ-JBQRSBCVSA-N 1 0 394.313 2.732 20 0 GFADRO O=C(CCc1cccc(F)c1Br)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000822877736 660356320 /nfs/dbraw/zinc/35/63/20/660356320.db2.gz BDYHUXOFWRAGJC-KBPBESRZSA-N 1 0 385.277 2.500 20 0 GFADRO C[C@@H]([NH3+])CCc1nc(Cc2cc(Br)c3c(c2)OCCCO3)no1 ZINC000822947202 660358743 /nfs/dbraw/zinc/35/87/43/660358743.db2.gz QDGGYFURYMQSJT-SNVBAGLBSA-N 1 0 382.258 2.864 20 0 GFADRO Cc1cc(Br)ccc1Cc1noc(-c2cn(CCCC[NH3+])nn2)n1 ZINC000822985242 660359417 /nfs/dbraw/zinc/35/94/17/660359417.db2.gz HXCVKKZLCDEAAH-UHFFFAOYSA-N 1 0 391.273 2.729 20 0 GFADRO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC000823306149 660368134 /nfs/dbraw/zinc/36/81/34/660368134.db2.gz RASPXZBGYCHSHI-KRWDZBQOSA-N 1 0 388.339 2.511 20 0 GFADRO CC(C)[C@H](c1nc(CNC(=O)c2ccc(Br)cc2)no1)[C@H](C)[NH3+] ZINC000823200429 660364733 /nfs/dbraw/zinc/36/47/33/660364733.db2.gz VKFUBJKRKGZBKJ-HZMBPMFUSA-N 1 0 381.274 2.849 20 0 GFADRO CCn1nc(C)c(C[NH2+]C[C@H]2CCN(c3cccc(Br)c3)C2)n1 ZINC000823703555 660378394 /nfs/dbraw/zinc/37/83/94/660378394.db2.gz ZSOPXQBAXAXXFX-CQSZACIVSA-N 1 0 378.318 2.985 20 0 GFADRO O=S(=O)(CC[NH2+][C@H]1CCc2c1ccc(F)c2Br)CC1CC1 ZINC000824017691 660383873 /nfs/dbraw/zinc/38/38/73/660383873.db2.gz HQANKGXOYUWJQJ-AWEZNQCLSA-N 1 0 376.291 2.990 20 0 GFADRO CC(C)[C@@H](CNC(=O)OC(C)(C)C)C[N@@H+]1CCC[C@H](CS(C)(=O)=O)C1 ZINC000824433691 660391852 /nfs/dbraw/zinc/39/18/52/660391852.db2.gz MYAPSBDWCYUGGL-HOTGVXAUSA-N 1 0 376.563 2.540 20 0 GFADRO C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@@]3(C)[C@@H](C2)C3(Br)Br)C1 ZINC000824396572 660391286 /nfs/dbraw/zinc/39/12/86/660391286.db2.gz ZFNUKGOOCBRMAG-LOWVWBTDSA-N 1 0 394.151 2.683 20 0 GFADRO C[C@@H](CCCNC(=O)OC(C)(C)C)[NH2+]C1CCC(CS(C)(=O)=O)CC1 ZINC000824500895 660394658 /nfs/dbraw/zinc/39/46/58/660394658.db2.gz AGEDBTIVCJAKIT-FHERZECASA-N 1 0 376.563 2.873 20 0 GFADRO Cn1nc(Br)cc1C[NH2+][C@@H]1C[C@H](OC(C)(C)C)[C@H]1n1cccn1 ZINC000825117997 660411306 /nfs/dbraw/zinc/41/13/06/660411306.db2.gz NPACMUHABDGHRJ-IPYPFGDCSA-N 1 0 382.306 2.666 20 0 GFADRO CCN(C(=O)c1cc2cc(Br)cnc2n1C)[C@H]1CC[N@H+](CC)C1 ZINC000825018461 660407624 /nfs/dbraw/zinc/40/76/24/660407624.db2.gz OTEBXTFMCDTOSH-AWEZNQCLSA-N 1 0 379.302 2.892 20 0 GFADRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1c(Br)nc2n1CCC2 ZINC000825400621 660425537 /nfs/dbraw/zinc/42/55/37/660425537.db2.gz SEHABBCSGCIOTK-UPJWGTAASA-N 1 0 383.334 2.688 20 0 GFADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000825516834 660431784 /nfs/dbraw/zinc/43/17/84/660431784.db2.gz CQCZPSGPXHCLQL-VVLHAWIVSA-N 1 0 379.298 2.532 20 0 GFADRO O=C([C@@H](O)c1ccc(Cl)c(Cl)c1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000826079965 660449436 /nfs/dbraw/zinc/44/94/36/660449436.db2.gz FPJOYDHASYVIDY-KRWDZBQOSA-N 1 0 387.307 2.598 20 0 GFADRO CC(C)COC[C@@H](O)C[N@@H+]1CC[C@@]2(C)[C@@H](C1)C2(Br)Br ZINC000852335670 661860941 /nfs/dbraw/zinc/86/09/41/661860941.db2.gz JYKKMNOGUPYFLZ-XQQFMLRXSA-N 1 0 399.167 2.848 20 0 GFADRO Cc1nc(Br)sc1C(=O)N(CC[NH+](C)C)Cc1ccccn1 ZINC000826745259 660463001 /nfs/dbraw/zinc/46/30/01/660463001.db2.gz XDIAHDFZWSWANZ-UHFFFAOYSA-N 1 0 383.315 2.813 20 0 GFADRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)[C@@H](O)c2ccc(Cl)c(Cl)c2)C1 ZINC000826763986 660463932 /nfs/dbraw/zinc/46/39/32/660463932.db2.gz KYDWUNIUBODGBG-YOEHRIQHSA-N 1 0 389.323 2.986 20 0 GFADRO CC(C)[N@H+](C)C[C@H](O)CN1CC[C@@]2(C)[C@@H](C1)C2(Br)Br ZINC000852337300 661861477 /nfs/dbraw/zinc/86/14/77/661861477.db2.gz NXRLUYCFHCXIPK-XQQFMLRXSA-N 1 0 398.183 2.515 20 0 GFADRO CN(C)c1nc(Cl)c(C(=O)N2C[C@@H](C[NH+](C)C)Oc3ccccc32)s1 ZINC000827095251 660478842 /nfs/dbraw/zinc/47/88/42/660478842.db2.gz CWPCMEDRMRTOQW-LLVKDONJSA-N 1 0 380.901 2.832 20 0 GFADRO C[N@@H+]1CCCC[C@H](CNC(=O)C[C@H]2C(=O)Nc3c2cccc3Br)C1 ZINC000827193560 660483119 /nfs/dbraw/zinc/48/31/19/660483119.db2.gz XZWALDSLMVVYBJ-TZMCWYRMSA-N 1 0 394.313 2.723 20 0 GFADRO COc1ccc(CCC(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)c(Br)c1 ZINC000827216650 660484723 /nfs/dbraw/zinc/48/47/23/660484723.db2.gz BXCGMXOIFYBLNF-RHSMWYFYSA-N 1 0 381.314 2.943 20 0 GFADRO Cc1ccc(I)cc1C(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000827302297 660488194 /nfs/dbraw/zinc/48/81/94/660488194.db2.gz UVNNVFARCMQKIV-IUODEOHRSA-N 1 0 384.261 2.766 20 0 GFADRO Cc1ccc(CC(=O)N2CCC([NH+]3CCN(C)CC3)CC2)c(Br)c1 ZINC000827435551 660495187 /nfs/dbraw/zinc/49/51/87/660495187.db2.gz MWOWPJSHEMDESH-UHFFFAOYSA-N 1 0 394.357 2.538 20 0 GFADRO CN1CC[NH+](C2CCN(C(=O)COc3cc(Cl)cc(Cl)c3)CC2)CC1 ZINC000827449965 660496291 /nfs/dbraw/zinc/49/62/91/660496291.db2.gz ODNWDGQRROZXPO-UHFFFAOYSA-N 1 0 386.323 2.611 20 0 GFADRO C[NH+]1C[C@@]2(C)CN(C(=O)c3ccc4c(Br)cnn4c3)C[C@]2(C)C1 ZINC000827598079 660504051 /nfs/dbraw/zinc/50/40/51/660504051.db2.gz KKLSFXJCRSTPDT-IRXDYDNUSA-N 1 0 377.286 2.511 20 0 GFADRO CCOC(=O)c1nc(NC2CC[NH+]([C@@H]3CCOC3)CC2)ccc1Br ZINC000603316678 651480306 /nfs/dbraw/zinc/48/03/06/651480306.db2.gz GLZRURUXVIOYCW-CYBMUJFWSA-N 1 0 398.301 2.686 20 0 GFADRO C[NH+](C)C1(C)CCN(C(=O)[C@](C)(O)c2ccc(F)c(Br)c2)CC1 ZINC000827778966 660514586 /nfs/dbraw/zinc/51/45/86/660514586.db2.gz JNJWRAISNMARJC-QGZVFWFLSA-N 1 0 387.293 2.738 20 0 GFADRO C[NH+](C)C1(C)CCN(C(=O)c2cc(Br)c3nccnc3c2)CC1 ZINC000827778982 660514587 /nfs/dbraw/zinc/51/45/87/660514587.db2.gz JYSXHXAVUUFESZ-UHFFFAOYSA-N 1 0 377.286 2.949 20 0 GFADRO COCCN(CC1CC[NH+](C)CC1)C(=O)c1cc(Br)cc(OC)c1 ZINC000827837188 660518676 /nfs/dbraw/zinc/51/86/76/660518676.db2.gz SCDRIYPEMXLGRY-UHFFFAOYSA-N 1 0 399.329 2.888 20 0 GFADRO C[N@@H+]1CCN(C(=O)C[C@H]2C(=O)Nc3c2cccc3Br)CCC1(C)C ZINC000828299807 660543091 /nfs/dbraw/zinc/54/30/91/660543091.db2.gz LRSYRWCBGMLJPD-CYBMUJFWSA-N 1 0 394.313 2.818 20 0 GFADRO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)c1cnnn1-c1cccc(Cl)c1Cl ZINC000828959399 660576765 /nfs/dbraw/zinc/57/67/65/660576765.db2.gz NBMSLQRZKKSCEI-STQMWFEESA-N 1 0 380.279 2.883 20 0 GFADRO C[NH+]1CCC(OCC(=O)NCCc2cc(Cl)cc(Br)c2)CC1 ZINC000829200960 660584875 /nfs/dbraw/zinc/58/48/75/660584875.db2.gz ZMMURETXDXFGIH-UHFFFAOYSA-N 1 0 389.721 2.872 20 0 GFADRO CCOC(=O)c1sc(SCC(=O)NC2CC[NH+](C(C)C)CC2)nc1C ZINC000829775799 660613706 /nfs/dbraw/zinc/61/37/06/660613706.db2.gz WZNFONWMEMKOQN-UHFFFAOYSA-N 1 0 385.555 2.709 20 0 GFADRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)[C@]2(C)CC2(Br)Br)C1 ZINC000829999795 660629042 /nfs/dbraw/zinc/62/90/42/660629042.db2.gz POILMEIUHYLWRM-YPMHNXCESA-N 1 0 396.167 2.977 20 0 GFADRO Cc1cc(NC(=O)C(=O)N[C@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)no1 ZINC000627910520 652442447 /nfs/dbraw/zinc/44/24/47/652442447.db2.gz IUZYZNKFRRQPIM-CYBMUJFWSA-N 1 0 385.251 2.647 20 0 GFADRO Cc1cc(C(=O)N[C@@H](CC[NH+](C)C)c2cccnc2)cnc1Br ZINC000830208626 660642369 /nfs/dbraw/zinc/64/23/69/660642369.db2.gz CCEBBGZHKWWCTA-HNNXBMFYSA-N 1 0 377.286 2.970 20 0 GFADRO CCO[C@@H]1C[C@@H]([NH2+]C[C@H](O)COc2cccc(Br)c2)[C@@H]1SC ZINC000830418834 660653807 /nfs/dbraw/zinc/65/38/07/660653807.db2.gz KRBAOFGXYATWDG-XZDPQHSOSA-N 1 0 390.343 2.687 20 0 GFADRO CN(C[C@H](O)c1ccccc1Br)C(=O)NCc1ccc(C[NH3+])cc1 ZINC000831299288 660707786 /nfs/dbraw/zinc/70/77/86/660707786.db2.gz QEXFEICHCDRQSY-KRWDZBQOSA-N 1 0 392.297 2.783 20 0 GFADRO O=C(CCNC(=O)[C@H]1CCC[NH2+]1)Nc1ccc2cc(Br)ccc2c1 ZINC000831362489 660708848 /nfs/dbraw/zinc/70/88/48/660708848.db2.gz HHZGZLFOIPHRGZ-MRXNPFEDSA-N 1 0 390.281 2.799 20 0 GFADRO C[C@@H]1CN(C(=O)c2cc(Br)n[nH]2)[C@H](C)CN1Cc1ccccc1 ZINC000831508589 660711738 /nfs/dbraw/zinc/71/17/38/660711738.db2.gz QRTWNRVBSBNQCC-CHWSQXEVSA-N 1 0 377.286 2.907 20 0 GFADRO CCO[C@H](CNC(=O)c1cc(Cl)c(F)cc1Br)C[NH+](C)C ZINC000831712802 660721615 /nfs/dbraw/zinc/72/16/15/660721615.db2.gz FZUWDFYQJUZPRY-SECBINFHSA-N 1 0 381.673 2.938 20 0 GFADRO Cn1cc(C[NH2+]C[C@H]2CCC3(CCCC3)O2)c(I)n1 ZINC000895189959 663502466 /nfs/dbraw/zinc/50/24/66/663502466.db2.gz GSUYOSHHUWNNHY-GFCCVEGCSA-N 1 0 375.254 2.606 20 0 GFADRO C[N@@H+](C[C@H](O)c1ccccc1Br)C[C@H](O)COCc1ccco1 ZINC000832672384 660793878 /nfs/dbraw/zinc/79/38/78/660793878.db2.gz JLLVCSISTFVIST-GUYCJALGSA-N 1 0 384.270 2.585 20 0 GFADRO C[C@H]1CN(C(=O)c2cn(C(C)(C)C)nc2Br)CC[N@@H+](C2CC2)C1 ZINC000832950203 660803919 /nfs/dbraw/zinc/80/39/19/660803919.db2.gz WNDPCEDCEMNCMF-GFCCVEGCSA-N 1 0 383.334 2.957 20 0 GFADRO CN(C)c1nc(Cl)c(C(=O)Nc2cccc(C[N@@H+]3CC[C@H](O)C3)c2)s1 ZINC000833056994 660804796 /nfs/dbraw/zinc/80/47/96/660804796.db2.gz RMMOPJBBBPOIAO-ZDUSSCGKSA-N 1 0 380.901 2.681 20 0 GFADRO Cc1nc(SCC(C)C)sc1CC(=O)N1CCC[C@](O)(C[NH+](C)C)C1 ZINC000834570281 660825386 /nfs/dbraw/zinc/82/53/86/660825386.db2.gz ZYUBVJCAGWFWNQ-SFHVURJKSA-N 1 0 385.599 2.657 20 0 GFADRO Cc1nc(SCC(C)C)sc1CC(=O)N1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000834570280 660825429 /nfs/dbraw/zinc/82/54/29/660825429.db2.gz ZYUBVJCAGWFWNQ-GOSISDBHSA-N 1 0 385.599 2.657 20 0 GFADRO CC1([NH+]2CCC2)CCC(NC(=O)c2ccc(Cl)c(S(C)(=O)=O)c2)CC1 ZINC000834804429 660833467 /nfs/dbraw/zinc/83/34/67/660833467.db2.gz RQACLSLTVUTQLE-UHFFFAOYSA-N 1 0 384.929 2.880 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)c2ccc(C(F)(F)F)nc2Cl)CC12CCOCC2 ZINC000834853260 660835365 /nfs/dbraw/zinc/83/53/65/660835365.db2.gz FXYZHXCHRIWWDK-SNVBAGLBSA-N 1 0 377.794 2.581 20 0 GFADRO C[C@H](CC(C)(C)C)[NH2+][C@@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000834909088 660837555 /nfs/dbraw/zinc/83/75/55/660837555.db2.gz KRQWPRDMZCJWOZ-KGLIPLIRSA-N 1 0 390.571 2.888 20 0 GFADRO CCNS(=O)(=O)CC[NH2+][C@@H]1CCCCc2ccc(Br)cc21 ZINC000834640671 660828673 /nfs/dbraw/zinc/82/86/73/660828673.db2.gz PZBMLZMOEULLKT-OAHLLOKOSA-N 1 0 375.332 2.746 20 0 GFADRO C[C@@H](CNC(=O)NC[C@@H](O)c1ccccc1Br)C[NH+]1CCCC1 ZINC000836344432 660900858 /nfs/dbraw/zinc/90/08/58/660900858.db2.gz WKRHXTXUFLFROC-XJKSGUPXSA-N 1 0 384.318 2.514 20 0 GFADRO C[C@H](CNC(=O)NC[C@H](O)c1ccccc1Br)[NH+]1CCC(C)CC1 ZINC000836350474 660901037 /nfs/dbraw/zinc/90/10/37/660901037.db2.gz WVQRYLMJJOKPIX-PBHICJAKSA-N 1 0 398.345 2.902 20 0 GFADRO Cc1c(Br)nccc1NC(=O)NC[C@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000836676740 660925440 /nfs/dbraw/zinc/92/54/40/660925440.db2.gz LKTZASBQMDIWFF-OAHLLOKOSA-N 1 0 398.349 2.546 20 0 GFADRO O=C(C[NH+]1CCCCCCC1)NCC(=O)Nc1ccccc1Br ZINC000007582368 654473795 /nfs/dbraw/zinc/47/37/95/654473795.db2.gz NPTIJVDRZALSDG-UHFFFAOYSA-N 1 0 382.302 2.770 20 0 GFADRO CC[NH+](CC)CCN(C(=S)Nc1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000011047093 654495410 /nfs/dbraw/zinc/49/54/10/654495410.db2.gz QEFIGRKPHLZXPV-QGZVFWFLSA-N 1 0 383.583 2.523 20 0 GFADRO CC[C@@H](C)[NH+]1CCN(C(=O)/C=C\c2ccc(I)o2)CC1 ZINC000837006270 660964733 /nfs/dbraw/zinc/96/47/33/660964733.db2.gz CVIYMMUWLSXFAK-SMYYYNMVSA-N 1 0 388.249 2.840 20 0 GFADRO COCCNC(=O)C1CC[NH+](CCOc2ccc(Cl)cc2Cl)CC1 ZINC000025808618 654553463 /nfs/dbraw/zinc/55/34/63/654553463.db2.gz YKXJLSIJDTXRBM-UHFFFAOYSA-N 1 0 375.296 2.847 20 0 GFADRO COc1ccc(Cl)cc1C[N@H+](C)CCOc1ccc(S(N)(=O)=O)cc1 ZINC000027738069 654565095 /nfs/dbraw/zinc/56/50/95/654565095.db2.gz OHTMWBKRBKLKKV-UHFFFAOYSA-N 1 0 384.885 2.507 20 0 GFADRO CCNC(=S)C(C(=O)c1cccc(Br)c1)[n+]1cccc(CO)c1 ZINC000028776968 654573150 /nfs/dbraw/zinc/57/31/50/654573150.db2.gz JCPUJYFAMKTACV-UHFFFAOYSA-O 1 0 394.314 2.777 20 0 GFADRO CCCN(C1CC[NH2+]CC1)S(=O)(=O)c1cc(Br)ccc1C ZINC000037537974 654615183 /nfs/dbraw/zinc/61/51/83/654615183.db2.gz HRVKVAYMIUHLRI-UHFFFAOYSA-N 1 0 375.332 2.910 20 0 GFADRO CCCN(C1CC[NH2+]CC1)S(=O)(=O)c1ccc(C)cc1Br ZINC000037537980 654615261 /nfs/dbraw/zinc/61/52/61/654615261.db2.gz YELOMBZKSPXNMD-UHFFFAOYSA-N 1 0 375.332 2.910 20 0 GFADRO O=C(c1ccc(I)cc1)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037917260 654615919 /nfs/dbraw/zinc/61/59/19/654615919.db2.gz UQPOIRYZNZVGMR-HIFRSBDPSA-N 1 0 384.261 2.895 20 0 GFADRO O=C(c1cccc(I)c1)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000037917266 654616375 /nfs/dbraw/zinc/61/63/75/654616375.db2.gz VWNRHUOZTWDOAE-UKRRQHHQSA-N 1 0 384.261 2.895 20 0 GFADRO CC(C)C[NH+]1CCC(NC(=O)C(=O)Nc2cccc(Br)c2)CC1 ZINC000041277467 654625226 /nfs/dbraw/zinc/62/52/26/654625226.db2.gz BWAJHNCOBDMFCL-UHFFFAOYSA-N 1 0 382.302 2.624 20 0 GFADRO Cc1ccc(NC(=O)C(=O)NCC[N@H+]2CCCC[C@@H]2C)c(Br)c1 ZINC000041664356 654629523 /nfs/dbraw/zinc/62/95/23/654629523.db2.gz VNGDHMKTLQIMBE-ZDUSSCGKSA-N 1 0 382.302 2.687 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)NCC[N@H+]1CCC[C@@H](C)C1 ZINC000041710881 654629706 /nfs/dbraw/zinc/62/97/06/654629706.db2.gz VYIOZYWKNKSBIX-GFCCVEGCSA-N 1 0 396.329 2.853 20 0 GFADRO CC(C)(CNC(=O)CN1C(=S)N=NC1c1cccs1)[NH+]1CCCCC1 ZINC000041797975 654632024 /nfs/dbraw/zinc/63/20/24/654632024.db2.gz JLCXKUSMNXMVLB-UHFFFAOYSA-N 1 0 379.555 2.676 20 0 GFADRO CC(C)[C@H](CNC(=O)Nc1nc(C(F)(F)F)cs1)[NH+]1CCN(C)CC1 ZINC000043633802 654650714 /nfs/dbraw/zinc/65/07/14/654650714.db2.gz KHKALXPTVNCHQJ-NSHDSACASA-N 1 0 379.452 2.555 20 0 GFADRO Cc1c(Cl)cccc1NC(=S)NCCCC[NH+]1CCC(C(N)=O)CC1 ZINC000044159583 654654668 /nfs/dbraw/zinc/65/46/68/654654668.db2.gz ZJCGKKGLGLCSSZ-UHFFFAOYSA-N 1 0 382.961 2.912 20 0 GFADRO CC(C)[C@@H](CNC(=O)c1cc(F)cc(Br)c1)[NH+]1CCN(C)CC1 ZINC000046782665 654685557 /nfs/dbraw/zinc/68/55/57/654685557.db2.gz SVRHFRQNZFVOIQ-MRXNPFEDSA-N 1 0 386.309 2.590 20 0 GFADRO CC[NH+]1CCN([C@H](C)CNC(=O)c2ccc(C3SCCS3)cc2)CC1 ZINC000046947189 654688228 /nfs/dbraw/zinc/68/82/28/654688228.db2.gz ILKYTAASEUOOAY-OAHLLOKOSA-N 1 0 379.595 2.921 20 0 GFADRO CN(C[C@@H](O)c1ccccc1Br)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000837346145 660988108 /nfs/dbraw/zinc/98/81/08/660988108.db2.gz QJPGDLZECJRTNB-MRXNPFEDSA-N 1 0 398.345 2.998 20 0 GFADRO CC1CC[NH+](CCNC(=O)c2ccc(F)cc2I)CC1 ZINC000048230898 654704000 /nfs/dbraw/zinc/70/40/00/654704000.db2.gz ZCLKTZRPHRCIRR-UHFFFAOYSA-N 1 0 390.240 2.892 20 0 GFADRO CCNC(=O)[C@H](C)[NH2+]Cc1c(C)nn(-c2ccc(Br)cc2)c1C ZINC000048709290 654711934 /nfs/dbraw/zinc/71/19/34/654711934.db2.gz GULHRFNJJWLRPI-LBPRGKRZSA-N 1 0 379.302 2.866 20 0 GFADRO CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000048883038 654713366 /nfs/dbraw/zinc/71/33/66/654713366.db2.gz BLORUNXVQMNRCU-UHFFFAOYSA-N 1 0 377.794 2.898 20 0 GFADRO CC[N@H+](C)CCNS(=O)(=O)c1c(Cl)cc(Br)cc1Cl ZINC000050166151 654718256 /nfs/dbraw/zinc/71/82/56/654718256.db2.gz MSLCSLGJPKYHOM-UHFFFAOYSA-N 1 0 390.130 2.986 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000121972564 654726533 /nfs/dbraw/zinc/72/65/33/654726533.db2.gz YQVXJDGOHOICLH-CQSZACIVSA-N 1 0 391.313 2.967 20 0 GFADRO CC(C)(C)[N@@H+]1CCCN(CN2c3cc(Br)ccc3C(=O)C2=O)CC1 ZINC000052087416 654733104 /nfs/dbraw/zinc/73/31/04/654733104.db2.gz GYVGERLXGSJDET-UHFFFAOYSA-N 1 0 394.313 2.742 20 0 GFADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CCOc2cccc(Br)c2)C1 ZINC000052843198 654740426 /nfs/dbraw/zinc/74/04/26/654740426.db2.gz VCUHUWTWVHUQSD-KRWDZBQOSA-N 1 0 399.329 2.691 20 0 GFADRO CC(=O)NCC1CC[NH+](CCC(=O)Nc2ccccc2Br)CC1 ZINC000052849409 654740740 /nfs/dbraw/zinc/74/07/40/654740740.db2.gz QCVIPEJHFHKDIW-UHFFFAOYSA-N 1 0 382.302 2.626 20 0 GFADRO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)CCn2cc(Br)ccc2=O)C1 ZINC000053405056 654745755 /nfs/dbraw/zinc/74/57/55/654745755.db2.gz OMCPNCKVXWDWEP-AWEZNQCLSA-N 1 0 398.345 2.628 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000123247441 654754237 /nfs/dbraw/zinc/75/42/37/654754237.db2.gz RANZKBDXUNGELA-AWEZNQCLSA-N 1 0 394.313 2.640 20 0 GFADRO C[C@@H]1C[C@@H](N(C)C(=O)c2csc(I)c2)CC[N@@H+]1C ZINC000123485950 654757488 /nfs/dbraw/zinc/75/74/88/654757488.db2.gz UOPLMIYJHMOGHQ-KOLCDFICSA-N 1 0 378.279 2.907 20 0 GFADRO CCN(CC)C(=O)C[N@H+](C)CCC(=O)Nc1ccc(Br)cc1F ZINC000054427979 654760512 /nfs/dbraw/zinc/76/05/12/654760512.db2.gz LFQLHXPFXLNGOF-UHFFFAOYSA-N 1 0 388.281 2.717 20 0 GFADRO O=c1c(Br)nn(C[N@H+](C[C@@H]2CCOC2)C2CC2)c2ccccc12 ZINC000123763966 654762939 /nfs/dbraw/zinc/76/29/39/654762939.db2.gz OXGQRXZNXONJOY-LBPRGKRZSA-N 1 0 378.270 2.617 20 0 GFADRO C[NH+](C)Cc1ccccc1CNS(=O)(=O)c1c(Cl)nc2ccccn21 ZINC000054828931 654764268 /nfs/dbraw/zinc/76/42/68/654764268.db2.gz LXQWEYKMGJNLAN-UHFFFAOYSA-N 1 0 378.885 2.528 20 0 GFADRO CC[C@H](CCO)[NH2+]Cc1cc(I)c(OC)c(OC)c1 ZINC000123812339 654764296 /nfs/dbraw/zinc/76/42/96/654764296.db2.gz FCRGACOBQKJXBW-LLVKDONJSA-N 1 0 379.238 2.559 20 0 GFADRO CC[NH2+]CC1CCN(S(=O)(=O)c2cc(Br)sc2C)CC1 ZINC000123869238 654765423 /nfs/dbraw/zinc/76/54/23/654765423.db2.gz LQOKAXPLVMIDSC-UHFFFAOYSA-N 1 0 381.361 2.829 20 0 GFADRO C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)Nc1ccc(F)cc1Br ZINC000123959031 654767075 /nfs/dbraw/zinc/76/70/75/654767075.db2.gz HQEWSHJOHJNLAQ-LLVKDONJSA-N 1 0 386.265 2.517 20 0 GFADRO Cc1cc(NC(=O)C[NH2+]C2(c3cccc(Br)c3)CCOCC2)no1 ZINC000055055564 654768247 /nfs/dbraw/zinc/76/82/47/654768247.db2.gz YIGQCOOWCAZVLX-UHFFFAOYSA-N 1 0 394.269 2.980 20 0 GFADRO COC(=O)N1CCC([NH2+][C@@H](C)CC(=O)Nc2ccc(Br)cc2)CC1 ZINC000124056951 654769976 /nfs/dbraw/zinc/76/99/76/654769976.db2.gz IBMNWCOAZSVTHV-LBPRGKRZSA-N 1 0 398.301 2.987 20 0 GFADRO CCN(CC)Cc1nc(C2(NC(=O)[C@H]3CC3(Cl)Cl)CCCC2)no1 ZINC000124238926 654772260 /nfs/dbraw/zinc/77/22/60/654772260.db2.gz OLHNBGQBWUZXSM-LLVKDONJSA-N 1 0 375.300 2.991 20 0 GFADRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)CN1C(=S)N=NC1c1cccs1 ZINC000055406117 654774303 /nfs/dbraw/zinc/77/43/03/654774303.db2.gz HPTRSUISGKATSZ-CHWSQXEVSA-N 1 0 379.555 2.532 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)C(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000124544972 654777786 /nfs/dbraw/zinc/77/77/86/654777786.db2.gz GJKIBHWFVIMLRO-UHFFFAOYSA-N 1 0 396.329 2.886 20 0 GFADRO OC1(C[NH2+]Cc2ccc(Br)c(Br)c2)CCOCC1 ZINC000124552346 654778337 /nfs/dbraw/zinc/77/83/37/654778337.db2.gz MBGYZMOVXDQSQV-UHFFFAOYSA-N 1 0 379.092 2.843 20 0 GFADRO COc1cc(C)c(Br)cc1S(=O)(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000124549156 654778442 /nfs/dbraw/zinc/77/84/42/654778442.db2.gz YSTBQUSOZICVJO-YPMHNXCESA-N 1 0 391.331 2.562 20 0 GFADRO COc1c(Br)cc(Cl)cc1S(=O)(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000124973540 654785135 /nfs/dbraw/zinc/78/51/35/654785135.db2.gz XBBMFQPCINEHDP-VHSXEESVSA-N 1 0 397.722 2.659 20 0 GFADRO Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)[C@@H](C)N1CCSCC1 ZINC000125094741 654787409 /nfs/dbraw/zinc/78/74/09/654787409.db2.gz BQJONZLPBQNASJ-MRXNPFEDSA-N 1 0 379.595 2.920 20 0 GFADRO CC(C)[NH+]1CCC(NC(=O)NCCOc2cccc(Br)c2)CC1 ZINC000056488761 654795935 /nfs/dbraw/zinc/79/59/35/654795935.db2.gz DGFLCGCPXOOJFR-UHFFFAOYSA-N 1 0 384.318 3.000 20 0 GFADRO COCC[N@H+](C)CCCNC(=O)c1ccc(Br)cc1OC(C)C ZINC000057043514 654798613 /nfs/dbraw/zinc/79/86/13/654798613.db2.gz DRDWSHRQOCOATC-UHFFFAOYSA-N 1 0 387.318 2.934 20 0 GFADRO C[C@H]1C[NH2+]CCN1C(=O)c1nn(-c2cccc(Br)c2)c2c1CCC2 ZINC000125879498 654804254 /nfs/dbraw/zinc/80/42/54/654804254.db2.gz OABSFUAHVNQAKK-LBPRGKRZSA-N 1 0 389.297 2.557 20 0 GFADRO Cc1[nH]c(=O)c(C(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)cc1Br ZINC000125934520 654805624 /nfs/dbraw/zinc/80/56/24/654805624.db2.gz TUGZQKLDCQGTHQ-CYBMUJFWSA-N 1 0 382.302 2.949 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)Cn1c(=S)[nH]nc1-c1ccc(Cl)cc1)C1CC1 ZINC000125997095 654806159 /nfs/dbraw/zinc/80/61/59/654806159.db2.gz BFMBVRXLYHZXAP-CQSZACIVSA-N 1 0 379.917 2.717 20 0 GFADRO CC[N@H+](CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)C1CC1 ZINC000126069587 654808168 /nfs/dbraw/zinc/80/81/68/654808168.db2.gz VLJYUDOXUFOKEV-UHFFFAOYSA-N 1 0 385.917 2.547 20 0 GFADRO C[C@@H](CNC(=O)c1cnn(-c2ccc(Br)cc2)c1)[N@H+](C)C1CC1 ZINC000057707259 654808785 /nfs/dbraw/zinc/80/87/85/654808785.db2.gz PFFDKPJBIKGWOL-LBPRGKRZSA-N 1 0 377.286 2.847 20 0 GFADRO O=S(=O)(c1cccc(OC(F)(F)F)c1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000060113280 654826585 /nfs/dbraw/zinc/82/65/85/654826585.db2.gz FRKDMCUZRDFXJB-CYBMUJFWSA-N 1 0 378.416 2.834 20 0 GFADRO O=S(=O)(c1cc(Br)ccc1F)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000060321424 654827624 /nfs/dbraw/zinc/82/76/24/654827624.db2.gz UOSSPTIBZJUOAA-CYBMUJFWSA-N 1 0 391.306 2.837 20 0 GFADRO Cc1cc(C(=O)N[C@@H](CC(C)C)C(=O)NCC[NH+](C)C)ccc1Br ZINC000127904414 654837042 /nfs/dbraw/zinc/83/70/42/654837042.db2.gz PNGQCNIFAXRNKW-INIZCTEOSA-N 1 0 398.345 2.580 20 0 GFADRO COc1cc(C(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)sc1Br ZINC000127932570 654837573 /nfs/dbraw/zinc/83/75/73/654837573.db2.gz QPYVUUSENFDMEJ-GHMZBOCLSA-N 1 0 391.331 2.748 20 0 GFADRO COc1cc(C(=O)NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)sc1Br ZINC000127932134 654837606 /nfs/dbraw/zinc/83/76/06/654837606.db2.gz QPYVUUSENFDMEJ-PHIMTYICSA-N 1 0 391.331 2.748 20 0 GFADRO C[C@H](CNC(=O)C(=O)Nc1ccccc1Br)[N@@H+]1CCC[C@@H](C)C1 ZINC000062120936 654843794 /nfs/dbraw/zinc/84/37/94/654843794.db2.gz NDXPRDWWPNFQQC-CHWSQXEVSA-N 1 0 382.302 2.624 20 0 GFADRO C[C@H](CNC(=O)C(=O)Nc1ccccc1Br)[N@@H+]1CCCC[C@@H]1C ZINC000062120287 654843810 /nfs/dbraw/zinc/84/38/10/654843810.db2.gz GAVHQIYUHXINCI-QWHCGFSZSA-N 1 0 382.302 2.767 20 0 GFADRO Cc1cc(S(=O)(=O)N(C)CC2CC[NH+](C)CC2)ccc1Br ZINC000063125586 654849133 /nfs/dbraw/zinc/84/91/33/654849133.db2.gz WXUXPZSBQXNUTK-UHFFFAOYSA-N 1 0 375.332 2.720 20 0 GFADRO COc1cc(C[NH2+]C2CCC(O)CC2)cc(I)c1OC ZINC000063312802 654852036 /nfs/dbraw/zinc/85/20/36/654852036.db2.gz YZCXUFUKDLHKCT-UHFFFAOYSA-N 1 0 391.249 2.702 20 0 GFADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cc(Br)ccc3C)C2)CC1 ZINC000266156327 654859899 /nfs/dbraw/zinc/85/98/99/654859899.db2.gz RZRJNRKIJXZUPQ-MRXNPFEDSA-N 1 0 380.330 2.610 20 0 GFADRO COc1ccc(S(=O)(=O)NC2CC[NH+](C3CC3)CC2)c(Cl)c1Cl ZINC000266179025 654861163 /nfs/dbraw/zinc/86/11/63/654861163.db2.gz FILRPLUWFOIEGN-UHFFFAOYSA-N 1 0 379.309 2.907 20 0 GFADRO O=S(=O)(C[C@@H](O)C[NH2+]Cc1ccc(-c2ccccc2)o1)c1cccs1 ZINC000129536573 654865980 /nfs/dbraw/zinc/86/59/80/654865980.db2.gz QSFHZZUDCGXDDS-HNNXBMFYSA-N 1 0 377.487 2.933 20 0 GFADRO CC[NH+](CC)[C@@H]1CCN(C(=O)C[C@](O)(c2nc(C)cs2)C(F)(F)F)C1 ZINC000266295957 654869935 /nfs/dbraw/zinc/86/99/35/654869935.db2.gz HKAVJWGQWYCAAG-DOMZBBRYSA-N 1 0 379.448 2.534 20 0 GFADRO Cc1sc(=O)n(CC(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)c1C ZINC000129652821 654870463 /nfs/dbraw/zinc/87/04/63/654870463.db2.gz QRRCUHKGQUNOSZ-YOEHRIQHSA-N 1 0 379.551 2.787 20 0 GFADRO CSc1ccc(S(=O)(=O)NCc2cccc(OCC[NH+](C)C)c2)cc1 ZINC000064596654 654872584 /nfs/dbraw/zinc/87/25/84/654872584.db2.gz JDQSTMHXRNHOON-UHFFFAOYSA-N 1 0 380.535 2.827 20 0 GFADRO CN1CC[NH+](CCCCNC(=O)[C@@H]2C[C@H]2c2cccc(Br)c2)CC1 ZINC000064656260 654873559 /nfs/dbraw/zinc/87/35/59/654873559.db2.gz LJWIYRSZPSIUNY-ZWKOTPCHSA-N 1 0 394.357 2.696 20 0 GFADRO CC(C)[N@@H+]1CC[C@H](CNC(=O)N2CCN(Cc3ccc(Cl)s3)CC2)C1 ZINC000065441960 654880448 /nfs/dbraw/zinc/88/04/48/654880448.db2.gz OYIHLERTZAPWQT-OAHLLOKOSA-N 1 0 384.977 2.959 20 0 GFADRO CCOc1ccc(S(=O)(=O)N2CCC[C@@H]([NH+](C)C)C2)cc1Br ZINC000130162378 654881786 /nfs/dbraw/zinc/88/17/86/654881786.db2.gz BQZPKBIAQVFMHG-GFCCVEGCSA-N 1 0 391.331 2.563 20 0 GFADRO C[C@H]1CC[N@H+](CCOc2ccc(NC(=O)CSc3nncs3)cc2)C1 ZINC000266621231 654887373 /nfs/dbraw/zinc/88/73/73/654887373.db2.gz DWSVWOOPOUIBHM-ZDUSSCGKSA-N 1 0 378.523 2.990 20 0 GFADRO COCC[N@H+]1[C@H](C)CN(C[C@H](O)COc2c(Cl)cccc2Cl)C[C@@H]1C ZINC000130479506 654889440 /nfs/dbraw/zinc/88/94/40/654889440.db2.gz ULYTVYLNRHZFED-ZNMIVQPWSA-N 1 0 391.339 2.774 20 0 GFADRO COc1cc(C[NH2+]CCS(=O)(=O)c2ccc(Cl)cc2)cc2c1OCO2 ZINC000065935920 654891056 /nfs/dbraw/zinc/89/10/56/654891056.db2.gz BZMLVHOXLJMWPY-UHFFFAOYSA-N 1 0 383.853 2.641 20 0 GFADRO Cc1ccc(S(=O)(=O)NCC[NH2+]Cc2c[nH]nc2-c2cccs2)cc1 ZINC000065977250 654891943 /nfs/dbraw/zinc/89/19/43/654891943.db2.gz SILORJNVNQMPCC-UHFFFAOYSA-N 1 0 376.507 2.515 20 0 GFADRO CC[C@@H](C)[N@H+](C)CCNC(=O)c1cc(F)ccc1I ZINC000066139489 654895644 /nfs/dbraw/zinc/89/56/44/654895644.db2.gz OYBLEWRVNMAFRC-SNVBAGLBSA-N 1 0 378.229 2.890 20 0 GFADRO CN(C)C(=O)CCCC(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000266843494 654896107 /nfs/dbraw/zinc/89/61/07/654896107.db2.gz NJGJFDXIXVPVHG-UHFFFAOYSA-N 1 0 398.345 2.598 20 0 GFADRO CN(Cc1ccccc1Br)C(=O)CC[NH2+]Cc1c(Cl)cnn1C ZINC000131449584 654907458 /nfs/dbraw/zinc/90/74/58/654907458.db2.gz IXHDZOXCFJAIBM-UHFFFAOYSA-N 1 0 399.720 2.974 20 0 GFADRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)NC[C@@H](O)c2ccccc2Br)C1 ZINC000838314258 661039867 /nfs/dbraw/zinc/03/98/67/661039867.db2.gz RKBKOYVMZJTPBC-WMLDXEAASA-N 1 0 398.345 2.902 20 0 GFADRO C[NH+](C)[C@]1(CNC(=O)CCCc2nc(-c3cccs3)no2)CCSC1 ZINC000267105979 654911323 /nfs/dbraw/zinc/91/13/23/654911323.db2.gz LXSGGPHZOCPTHL-KRWDZBQOSA-N 1 0 380.539 2.674 20 0 GFADRO O=C(/C=C/c1cc(Br)cs1)NCCCC[N@H+]1CCC[C@@H]1CO ZINC000131689581 654913584 /nfs/dbraw/zinc/91/35/84/654913584.db2.gz BZXKAQRMXJMGQR-VBROQKIQSA-N 1 0 387.343 2.877 20 0 GFADRO CC(=O)Nc1ccc(S(=O)(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)cc1Cl ZINC000267161450 654914370 /nfs/dbraw/zinc/91/43/70/654914370.db2.gz GTFBYZYDEVIBOJ-CQSZACIVSA-N 1 0 385.917 2.547 20 0 GFADRO COC(=O)[C@@H](C)Sc1ccccc1C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000267226015 654918725 /nfs/dbraw/zinc/91/87/25/654918725.db2.gz IZXUYEGIBLEZDD-ACJLOTCBSA-N 1 0 382.551 2.507 20 0 GFADRO NC(=O)[C@@H](OC(=O)C1C[NH+](C2CCCCC2)C1)c1ccc(Br)cc1 ZINC000838463172 661046540 /nfs/dbraw/zinc/04/65/40/661046540.db2.gz OPTXSQMUAMXQTL-INIZCTEOSA-N 1 0 395.297 2.783 20 0 GFADRO NC(=O)[C@H](OC(=O)C1C[NH+](C2CCCCC2)C1)c1ccc(Br)cc1 ZINC000838463174 661046600 /nfs/dbraw/zinc/04/66/00/661046600.db2.gz OPTXSQMUAMXQTL-MRXNPFEDSA-N 1 0 395.297 2.783 20 0 GFADRO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(C(=O)Nc2cc(Cl)ccc2Cl)CC1 ZINC000131987612 654924065 /nfs/dbraw/zinc/92/40/65/654924065.db2.gz HWRDRBVBPWQDKZ-OAHLLOKOSA-N 1 0 385.295 2.939 20 0 GFADRO C[C@H]1C[C@@H](NC(=O)Cn2cc(Br)cn2)CC[N@@H+]1Cc1ccccc1 ZINC000267435170 654928478 /nfs/dbraw/zinc/92/84/78/654928478.db2.gz FWNVWZCJGXVAEO-YOEHRIQHSA-N 1 0 391.313 2.815 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)Cn2cc(Br)cn2)CC[N@@H+]1Cc1ccccc1 ZINC000267435168 654928599 /nfs/dbraw/zinc/92/85/99/654928599.db2.gz FWNVWZCJGXVAEO-RHSMWYFYSA-N 1 0 391.313 2.815 20 0 GFADRO C[NH+](C)[C@]1(CNC(=O)N2CCC[C@@H]2C[C@H](O)c2cccs2)CCSC1 ZINC000267525149 654933087 /nfs/dbraw/zinc/93/30/87/654933087.db2.gz RTPQQBNUXGLULC-VKJFTORMSA-N 1 0 383.583 2.783 20 0 GFADRO CN1CC[NH+](CCCCNC(=O)CCCc2ccccc2Br)CC1 ZINC000132401223 654936926 /nfs/dbraw/zinc/93/69/26/654936926.db2.gz IBQJFJJKJQQTPL-UHFFFAOYSA-N 1 0 396.373 2.916 20 0 GFADRO COCCC[NH+]1CCC(NC(=O)c2cc(F)c(F)cc2Br)CC1 ZINC000132539652 654940673 /nfs/dbraw/zinc/94/06/73/654940673.db2.gz PENNYWNMGRADMV-UHFFFAOYSA-N 1 0 391.256 2.958 20 0 GFADRO CC[N@H+](CC(=O)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1)[C@@H](C)C(C)C ZINC000067661025 654942587 /nfs/dbraw/zinc/94/25/87/654942587.db2.gz APKUQGHXRKRBKM-JKSUJKDBSA-N 1 0 386.583 2.630 20 0 GFADRO CC[N@H+](CC(=O)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1)[C@@H](C)C(C)C ZINC000067661026 654942719 /nfs/dbraw/zinc/94/27/19/654942719.db2.gz APKUQGHXRKRBKM-HOTGVXAUSA-N 1 0 386.583 2.630 20 0 GFADRO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[NH+]1CCC2(CNC(=O)C2)CC1 ZINC000267773851 654945922 /nfs/dbraw/zinc/94/59/22/654945922.db2.gz GVWWBMREXYJWGQ-UHFFFAOYSA-N 1 0 384.307 2.554 20 0 GFADRO O=C(N[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(Cl)c(I)c1 ZINC000067863301 654946682 /nfs/dbraw/zinc/94/66/82/654946682.db2.gz HOAIFESCRYUICY-JTQLQIEISA-N 1 0 390.652 2.911 20 0 GFADRO CCO[C@@H](CC[NH+](C)C)CNC(=O)Cc1cn2cc(Cl)cc(Cl)c2n1 ZINC000267915336 654951824 /nfs/dbraw/zinc/95/18/24/654951824.db2.gz BVMMJYPHFPEQEV-AWEZNQCLSA-N 1 0 387.311 2.657 20 0 GFADRO NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)CCCc1cc(Cl)sc1Cl ZINC000267968385 654954382 /nfs/dbraw/zinc/95/43/82/654954382.db2.gz GSKMBDKHRBKAGO-GFCCVEGCSA-N 1 0 392.352 2.834 20 0 GFADRO CCc1nsc(N2CCCN(C(=O)c3sccc3C[NH+](C)C)CC2)n1 ZINC000268001742 654955540 /nfs/dbraw/zinc/95/55/40/654955540.db2.gz DEBIWDGVRBIQLS-UHFFFAOYSA-N 1 0 379.555 2.576 20 0 GFADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)Nc1cccc(C)c1Br ZINC000133381163 654962620 /nfs/dbraw/zinc/96/26/20/654962620.db2.gz SXFCJYDZRZBKQQ-KGLIPLIRSA-N 1 0 394.313 2.781 20 0 GFADRO CC[C@@H](Cc1ccccc1Br)C(=O)NCC1(O)CC[NH+](C)CC1 ZINC000268222785 654963937 /nfs/dbraw/zinc/96/39/37/654963937.db2.gz MHHZVMVZXCSJFK-AWEZNQCLSA-N 1 0 383.330 2.591 20 0 GFADRO CCC([NH3+])(CC)CNS(=O)(=O)c1cc(Cl)cc(Br)c1OC ZINC000133481790 654964304 /nfs/dbraw/zinc/96/43/04/654964304.db2.gz RHFGKHINLHFJTM-UHFFFAOYSA-N 1 0 399.738 2.907 20 0 GFADRO C[NH+](C)CC1CCC(NC(=O)CNC(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000133624534 654969049 /nfs/dbraw/zinc/96/90/49/654969049.db2.gz MWZUTDLCVXCENJ-UHFFFAOYSA-N 1 0 386.323 2.960 20 0 GFADRO C[C@@H](NC(=O)c1ccc(Br)s1)C(=O)OCCCCC[NH+](C)C ZINC000133667705 654969996 /nfs/dbraw/zinc/96/99/96/654969996.db2.gz MIXWPMXOKNTLAM-LLVKDONJSA-N 1 0 391.331 2.904 20 0 GFADRO C[C@@H]([NH2+]Cc1ccc(S(=O)(=O)N(C)C)cc1)c1ccc([S@](C)=O)cc1 ZINC000133853448 654975382 /nfs/dbraw/zinc/97/53/82/654975382.db2.gz VDDVHQQZZMMBIW-JBEBIEQOSA-N 1 0 380.535 2.525 20 0 GFADRO CC[NH+](CC)CCN(Cc1cccs1)C(=O)[C@H](C)Sc1nncn1C ZINC000268545324 654977443 /nfs/dbraw/zinc/97/74/43/654977443.db2.gz SJXDKEISDBKDMX-AWEZNQCLSA-N 1 0 381.571 2.728 20 0 GFADRO C[C@H]([NH2+]C[C@H]1CCS(=O)(=O)C1)c1ccc(OC(F)F)cc1OC(F)F ZINC000268775145 654986274 /nfs/dbraw/zinc/98/62/74/654986274.db2.gz VGCUAMYQHIUQFV-VHSXEESVSA-N 1 0 385.379 2.975 20 0 GFADRO COC(=O)N1CCC([NH2+][C@@H](C)c2ccc(S(=O)(=O)C(F)F)cc2)CC1 ZINC000268869707 654989800 /nfs/dbraw/zinc/98/98/00/654989800.db2.gz UVBIVQXNAITOGF-NSHDSACASA-N 1 0 376.425 2.564 20 0 GFADRO O=C(NCc1ccc(Br)cc1)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000269014126 654995302 /nfs/dbraw/zinc/99/53/02/654995302.db2.gz MQPCZIBMICDYBW-IAGOWNOFSA-N 1 0 396.329 2.626 20 0 GFADRO [NH3+][C@@H](Cc1ccccc1)C(=O)N[C@H]1CCOc2ccc(Br)cc21 ZINC000269038762 654996110 /nfs/dbraw/zinc/99/61/10/654996110.db2.gz GICUBTIUJMGGAO-HOTGVXAUSA-N 1 0 375.266 2.959 20 0 GFADRO C[C@@H]([NH2+]C[C@H](O)COc1ccc(Br)cc1)c1nnc2ccccn21 ZINC000070869411 654996382 /nfs/dbraw/zinc/99/63/82/654996382.db2.gz FVDHFIBKIDRCFN-OCCSQVGLSA-N 1 0 391.269 2.582 20 0 GFADRO CCN(CC)C(=O)COc1ccc(NC(=O)[C@@H]([NH3+])CCSC)cc1Cl ZINC000269080661 654997240 /nfs/dbraw/zinc/99/72/40/654997240.db2.gz FLUNZZIOZNUDCG-AWEZNQCLSA-N 1 0 387.933 2.606 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)C(=O)NCC[N@H+]1CCCC[C@@H]1C ZINC000071009136 654997998 /nfs/dbraw/zinc/99/79/98/654997998.db2.gz XYCLLCGILQYFEW-ZDUSSCGKSA-N 1 0 382.302 2.687 20 0 GFADRO C[NH+]1CCC(Oc2ccc(NC(=O)c3cncc(Br)c3)cn2)CC1 ZINC000071564960 655000228 /nfs/dbraw/zinc/00/02/28/655000228.db2.gz BNEDECLVZNACAC-UHFFFAOYSA-N 1 0 391.269 2.964 20 0 GFADRO O=C(Cc1ccccc1I)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000269390788 655008162 /nfs/dbraw/zinc/00/81/62/655008162.db2.gz RJQOKICMXSGBTK-LSDHHAIUSA-N 1 0 384.261 2.577 20 0 GFADRO C[NH+](C)CCOc1cc(CNC(=O)NCCc2ccc(Cl)s2)ccn1 ZINC000135060593 655008500 /nfs/dbraw/zinc/00/85/00/655008500.db2.gz NNLCVDGLLIXRRZ-UHFFFAOYSA-N 1 0 382.917 2.779 20 0 GFADRO Cn1cc(CNC(=O)NC[C@@H](c2ccsc2)[NH+](C)C)c(C(F)(F)F)n1 ZINC000269585599 655014176 /nfs/dbraw/zinc/01/41/76/655014176.db2.gz BDNNLPSGCIGMQU-LBPRGKRZSA-N 1 0 375.420 2.603 20 0 GFADRO O=S1(=O)CCC[C@@H]1C[NH2+]Cc1ccc(OC(F)F)c(Br)c1 ZINC000092567383 655014244 /nfs/dbraw/zinc/01/42/44/655014244.db2.gz BZWCTNRVAJLLLU-SNVBAGLBSA-N 1 0 384.242 2.717 20 0 GFADRO CCN(C1CC[NH+](Cc2cccc(OC(F)(F)F)c2)CC1)S(C)(=O)=O ZINC000093320798 655018346 /nfs/dbraw/zinc/01/83/46/655018346.db2.gz VXLGFRONKCEWNN-UHFFFAOYSA-N 1 0 380.432 2.831 20 0 GFADRO CN(C[C@H](O)c1ccccc1Br)C(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000838763205 661056162 /nfs/dbraw/zinc/05/61/62/661056162.db2.gz CKGDYBBRNJMQFP-PBHICJAKSA-N 1 0 398.345 2.856 20 0 GFADRO C[C@@H]1OCC[C@@H]1S(=O)(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000135581352 655021413 /nfs/dbraw/zinc/02/14/13/655021413.db2.gz JMWDIYBYAJAALC-KSSFIOAISA-N 1 0 386.945 2.649 20 0 GFADRO C[N@@H+]1CCC[C@H](CCNC(=O)NC[C@@H](O)c2cccc(Br)c2)C1 ZINC000838768129 661056467 /nfs/dbraw/zinc/05/64/67/661056467.db2.gz APGSMAKYYHCJQR-CZUORRHYSA-N 1 0 384.318 2.514 20 0 GFADRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2cccnc2Br)[C@H](C)C1 ZINC000135600454 655022137 /nfs/dbraw/zinc/02/21/37/655022137.db2.gz MQKQWLGBTCBVHN-UKRRQHHQSA-N 1 0 384.318 2.711 20 0 GFADRO O=C(CCc1cc(Br)ccc1F)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000135937932 655025422 /nfs/dbraw/zinc/02/54/22/655025422.db2.gz VGVSQQJREOSNDO-CQSZACIVSA-N 1 0 399.304 2.702 20 0 GFADRO COC(=O)c1cc(Cl)ccc1S(=O)(=O)N(C)C1CC[NH+](C(C)C)CC1 ZINC000269892028 655026221 /nfs/dbraw/zinc/02/62/21/655026221.db2.gz WIFNUTPOXAVZKG-UHFFFAOYSA-N 1 0 388.917 2.620 20 0 GFADRO C[NH+](C)C[C@H]1CCCN1C(=O)c1cn(-c2ccc(Br)cc2)cn1 ZINC000270041507 655032232 /nfs/dbraw/zinc/03/22/32/655032232.db2.gz JXKSBGFQHGYSMC-OAHLLOKOSA-N 1 0 377.286 2.801 20 0 GFADRO O=C(NC1CC[NH+](Cc2ccccn2)CC1)c1ccc(Br)c(O)c1 ZINC000136512786 655032470 /nfs/dbraw/zinc/03/24/70/655032470.db2.gz LPJKGWFJWTUPIY-UHFFFAOYSA-N 1 0 390.281 2.944 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1ccc(F)cc1Br ZINC000096997263 655032828 /nfs/dbraw/zinc/03/28/28/655032828.db2.gz DNHKCMIXJRZPDE-LLVKDONJSA-N 1 0 379.295 2.741 20 0 GFADRO CC(C)c1n[nH]c(C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)c1Br ZINC000136831516 655035844 /nfs/dbraw/zinc/03/58/44/655035844.db2.gz TVRCBQIUZSENCG-LBPRGKRZSA-N 1 0 399.333 2.526 20 0 GFADRO Cc1cc(S(=O)(=O)NC2CC[NH+](CCc3ccncc3)CC2)c(C)s1 ZINC000101578155 655045124 /nfs/dbraw/zinc/04/51/24/655045124.db2.gz ZJXBIRILKRLNNG-UHFFFAOYSA-N 1 0 379.551 2.745 20 0 GFADRO Cc1nccn1CC[N@@H+]1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000270552697 655048909 /nfs/dbraw/zinc/04/89/09/655048909.db2.gz BSSNDBMCLRLWBV-AWEZNQCLSA-N 1 0 392.301 2.700 20 0 GFADRO Cc1ccc(NC(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)c(Br)n1 ZINC000151423952 655050973 /nfs/dbraw/zinc/05/09/73/655050973.db2.gz BSJWPQNYJPKCLT-CYBMUJFWSA-N 1 0 385.306 2.727 20 0 GFADRO CCCC[N@H+](C)CC1CCN(Cn2cc(Br)c([N+](=O)[O-])n2)CC1 ZINC000151794867 655054586 /nfs/dbraw/zinc/05/45/86/655054586.db2.gz DVIMIQFHKDHNGS-UHFFFAOYSA-N 1 0 388.310 2.955 20 0 GFADRO Cc1csc(SCc2ccc(C(=O)NC[C@](C)(O)C[NH+](C)C)cc2)n1 ZINC000152621994 655060120 /nfs/dbraw/zinc/06/01/20/655060120.db2.gz CLRJMMUGAOWCRA-SFHVURJKSA-N 1 0 379.551 2.786 20 0 GFADRO CCC[N@H+](C[C@@H](C)CS(C)(=O)=O)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000152629270 655060362 /nfs/dbraw/zinc/06/03/62/655060362.db2.gz JSPYXPNHEKNYHJ-OAHLLOKOSA-N 1 0 376.563 2.779 20 0 GFADRO Cc1nc(C(=O)NC[C@@H](C2CC2)[NH+](C)C)nn1-c1c(Cl)cccc1Cl ZINC000102941432 655064560 /nfs/dbraw/zinc/06/45/60/655064560.db2.gz WHXZAEQEQYYZTH-AWEZNQCLSA-N 1 0 382.295 2.953 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)N[C@H](CO)c2ccc(Br)cc2)C1 ZINC000271145920 655067999 /nfs/dbraw/zinc/06/79/99/655067999.db2.gz PIEATYNCTCMNSQ-BZUAXINKSA-N 1 0 384.318 2.655 20 0 GFADRO O=C(C[NH+]1CCCC1)N1CCN(C(=O)Nc2cccc(Cl)c2Cl)CC1 ZINC000103232269 655069669 /nfs/dbraw/zinc/06/96/69/655069669.db2.gz OUSVRNGPVHZTOL-UHFFFAOYSA-N 1 0 385.295 2.765 20 0 GFADRO O[C@@H](C[N@@H+]1CCCC[C@@H]1CN1CCOCC1)c1ccccc1Br ZINC000154669398 655077541 /nfs/dbraw/zinc/07/75/41/655077541.db2.gz ZPFSUJBLDJAACM-QAPCUYQASA-N 1 0 383.330 2.669 20 0 GFADRO O=S(=O)(N1CCC([NH2+][C@@H]2CCc3c2cc(F)cc3F)CC1)C(F)(F)F ZINC000154797900 655078452 /nfs/dbraw/zinc/07/84/52/655078452.db2.gz GMKNOYGMDBNHTA-CQSZACIVSA-N 1 0 384.370 2.856 20 0 GFADRO CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H](O)COc1cccc(Cl)c1Cl ZINC000104148845 655079166 /nfs/dbraw/zinc/07/91/66/655079166.db2.gz FTOULAVOOQZVTC-JSGCOSHPSA-N 1 0 375.296 2.724 20 0 GFADRO COc1cc[nH+]c(N2CCN(C(=O)c3cc(F)cc(Br)c3)CC2)c1 ZINC000104519241 655081598 /nfs/dbraw/zinc/08/15/98/655081598.db2.gz APNDFXVDLDATRW-UHFFFAOYSA-N 1 0 394.244 2.954 20 0 GFADRO COc1cc([C@H](C)[NH2+][C@H]2CCO[C@]3(CCSC3)C2)ccc1S(C)(=O)=O ZINC000271485055 655082968 /nfs/dbraw/zinc/08/29/68/655082968.db2.gz JNKWZEKVYQGSEK-DHSIGJKJSA-N 1 0 385.551 2.804 20 0 GFADRO [NH3+]C[C@H](NC(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1)C1CCCCC1 ZINC000155771960 655087407 /nfs/dbraw/zinc/08/74/07/655087407.db2.gz PVGPPZZCDFPPPG-AWEZNQCLSA-N 1 0 378.416 2.618 20 0 GFADRO C[NH+]1CCC(CNC(=O)N[C@H]2CCOc3ccc(Br)cc32)CC1 ZINC000105180459 655089497 /nfs/dbraw/zinc/08/94/97/655089497.db2.gz FYYCVEIAHCVZJW-HNNXBMFYSA-N 1 0 382.302 2.914 20 0 GFADRO CC[N@@H+]1CCC[C@@H](CNC(=O)NCCOc2cccc(Br)c2)C1 ZINC000105172467 655089526 /nfs/dbraw/zinc/08/95/26/655089526.db2.gz CDZUTTCIESGVMF-AWEZNQCLSA-N 1 0 384.318 2.859 20 0 GFADRO C[C@@H](CNC(=O)N[C@@H]1CCN(c2ccc(Br)cc2)C1)[N@H+](C)C1CC1 ZINC000105243450 655089799 /nfs/dbraw/zinc/08/97/99/655089799.db2.gz PZFDCBUSWBPCMF-DZGCQCFKSA-N 1 0 395.345 2.810 20 0 GFADRO C[NH+](C)[C@@H]1CCCN(C(=O)[C@@]23CCC(=O)N2c2cc(Cl)ccc2S3)C1 ZINC000105328099 655090763 /nfs/dbraw/zinc/09/07/63/655090763.db2.gz RYVBWPVUVQLSEG-ACJLOTCBSA-N 1 0 379.913 2.821 20 0 GFADRO COc1ccc(CC[NH2+][C@@H](C(N)=O)c2ccc(Br)cc2)cc1OC ZINC000105400052 655092209 /nfs/dbraw/zinc/09/22/09/655092209.db2.gz CIVAXROTCLACBR-QGZVFWFLSA-N 1 0 393.281 2.825 20 0 GFADRO C[C@H]([NH2+]CC1=Cc2cc(Br)ccc2OC1)[C@H](C)N1CCOCC1 ZINC000105500770 655093623 /nfs/dbraw/zinc/09/36/23/655093623.db2.gz ZEPRUXOKBRUDGR-KBPBESRZSA-N 1 0 381.314 2.924 20 0 GFADRO C[N@H+]1CC=C(CNC(=O)c2cnn(-c3ccc(Br)cc3)c2)CC1 ZINC000271784018 655094655 /nfs/dbraw/zinc/09/46/55/655094655.db2.gz BQTPUTMYXZZNPT-UHFFFAOYSA-N 1 0 375.270 2.627 20 0 GFADRO CCOC(=O)C[N@H+](Cn1ccc(=O)c2cccc(Br)c21)C1CC1 ZINC000105604607 655095863 /nfs/dbraw/zinc/09/58/63/655095863.db2.gz FCESTANZTDBALY-UHFFFAOYSA-N 1 0 379.254 2.749 20 0 GFADRO C[C@@H]([NH2+]Cc1cccc2nsnc21)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000271830366 655096275 /nfs/dbraw/zinc/09/62/75/655096275.db2.gz PPYUSTZBEVAFFY-GFCCVEGCSA-N 1 0 376.507 2.792 20 0 GFADRO CC[C@@H]([NH2+]C[C@H]1CCCN1S(C)(=O)=O)c1cc(Br)ccc1O ZINC000156893649 655096921 /nfs/dbraw/zinc/09/69/21/655096921.db2.gz VHBOKXZMHYVIQY-TZMCWYRMSA-N 1 0 391.331 2.619 20 0 GFADRO CC[NH+](CC)CCN(CCOC)C(=O)C(=O)Nc1ccc(Cl)cc1Cl ZINC000105730223 655098403 /nfs/dbraw/zinc/09/84/03/655098403.db2.gz DAHKZORNLNIVAR-UHFFFAOYSA-N 1 0 390.311 2.749 20 0 GFADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)Nc3cccc(I)c3)[C@@H]2C1 ZINC000272287789 655108043 /nfs/dbraw/zinc/10/80/43/655108043.db2.gz NRHRZJOYQPJKQM-BXUZGUMPSA-N 1 0 385.249 2.849 20 0 GFADRO CC(C)(O)C[NH+]1CCN(C(=O)CCCOc2ccccc2Br)CC1 ZINC000106401184 655108075 /nfs/dbraw/zinc/10/80/75/655108075.db2.gz QTPRXYDGCWPHBN-UHFFFAOYSA-N 1 0 399.329 2.523 20 0 GFADRO CN(CCc1ccc(Br)cc1)Cn1c2cnccc2n(C)c1=O ZINC000158989215 655110792 /nfs/dbraw/zinc/11/07/92/655110792.db2.gz BZFPVQHRHMVANP-UHFFFAOYSA-N 1 0 375.270 2.630 20 0 GFADRO C[C@@H](CNC(=O)c1ccn(-c2cccc(Br)c2)n1)[N@H+](C)C1CC1 ZINC000106769840 655110987 /nfs/dbraw/zinc/11/09/87/655110987.db2.gz RRXVOFNVUHEJMV-LBPRGKRZSA-N 1 0 377.286 2.847 20 0 GFADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)COc3cc(Cl)ccc3Cl)C2)CC1 ZINC000106799022 655111618 /nfs/dbraw/zinc/11/16/18/655111618.db2.gz BHXIBBXVNDIRGE-OAHLLOKOSA-N 1 0 386.323 2.611 20 0 GFADRO O=C(NCC1([NH+]2CCCC2)CCOCC1)Nc1ccncc1Br ZINC000272654106 655117975 /nfs/dbraw/zinc/11/79/75/655117975.db2.gz FTRWPRXDPMSIBX-UHFFFAOYSA-N 1 0 383.290 2.611 20 0 GFADRO C[C@H]([NH2+]Cc1cc(Cl)c2c(c1)OCCO2)c1cccc(S(N)(=O)=O)c1 ZINC000272680531 655118985 /nfs/dbraw/zinc/11/89/85/655118985.db2.gz MUIBAYRHTLGQCE-NSHDSACASA-N 1 0 382.869 2.609 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)C(=O)NCC1(C)CC[NH+](C)CC1 ZINC000272722133 655119953 /nfs/dbraw/zinc/11/99/53/655119953.db2.gz SZOYGDNUQBUINK-UHFFFAOYSA-N 1 0 382.302 2.544 20 0 GFADRO C[C@H](NC(=O)c1ccc(I)c(F)c1)C1=CC[N@H+](C)CC1 ZINC000272823106 655122348 /nfs/dbraw/zinc/12/23/48/655122348.db2.gz XKLLTNDUMXFNGV-JTQLQIEISA-N 1 0 388.224 2.811 20 0 GFADRO Cn1nnc(Br)c1COC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000839378831 661081656 /nfs/dbraw/zinc/08/16/56/661081656.db2.gz VEPCRYUDIYFNJX-CQSZACIVSA-N 1 0 393.285 2.533 20 0 GFADRO CC(C)Cc1nnc(NC(=O)C[NH2+][C@H](C)c2ccc([S@@](C)=O)cc2)s1 ZINC000272903311 655124687 /nfs/dbraw/zinc/12/46/87/655124687.db2.gz GNXSGOBMCZMSBG-XELLLNAOSA-N 1 0 380.539 2.763 20 0 GFADRO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000161450610 655127229 /nfs/dbraw/zinc/12/72/29/655127229.db2.gz OQMOTXPTUKZNHV-NWDGAFQWSA-N 1 0 379.254 2.864 20 0 GFADRO C[NH+]1CCN(c2ccc(NCc3cccc(Br)c3O)cn2)CC1 ZINC000162933683 655133821 /nfs/dbraw/zinc/13/38/21/655133821.db2.gz XJNJBCRPMKEWGQ-UHFFFAOYSA-N 1 0 377.286 2.914 20 0 GFADRO O=C(NCCc1cc(Br)ccc1F)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000108565556 655134632 /nfs/dbraw/zinc/13/46/32/655134632.db2.gz QRMYHZZYNQWKQJ-HNNXBMFYSA-N 1 0 384.293 2.914 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)c2cnn(C)c2Br)CC[N@@H+]1Cc1ccccc1 ZINC000273264545 655136841 /nfs/dbraw/zinc/13/68/41/655136841.db2.gz UEVMDFQIFMMQNR-UKRRQHHQSA-N 1 0 391.313 2.966 20 0 GFADRO C[NH+](C)C1CCN(C(=O)[C@@H]2CCN(c3cc(Cl)cc(Cl)c3)C2=O)CC1 ZINC000108820536 655138305 /nfs/dbraw/zinc/13/83/05/655138305.db2.gz ZBPDKGRNEBPMGR-INIZCTEOSA-N 1 0 384.307 2.899 20 0 GFADRO C[NH+](C)C1CN(C(=O)Nc2cccc(Oc3ncc(Br)cn3)c2)C1 ZINC000273378277 655141245 /nfs/dbraw/zinc/14/12/45/655141245.db2.gz BRSLOSOCKCKAGB-UHFFFAOYSA-N 1 0 392.257 2.809 20 0 GFADRO CC(C)N1C(=O)C(=O)N(C[NH2+]C2(c3ccc(Br)cc3)CCC2)C1=O ZINC000170638069 655144666 /nfs/dbraw/zinc/14/46/66/655144666.db2.gz YSAKXWMBKUQGEE-UHFFFAOYSA-N 1 0 394.269 2.575 20 0 GFADRO O=C(NC[C@H]1CCCC[N@H+]1CCO)Nc1ccc(SC(F)(F)F)nc1 ZINC000839174254 661074385 /nfs/dbraw/zinc/07/43/85/661074385.db2.gz NTAADGASRNNTOU-GFCCVEGCSA-N 1 0 378.420 2.662 20 0 GFADRO CCC[NH+]1CCC(CNS(=O)(=O)c2cc(C(=O)OC)ccc2Cl)CC1 ZINC000109853001 655153617 /nfs/dbraw/zinc/15/36/17/655153617.db2.gz VIRSBNUPDQZWDY-UHFFFAOYSA-N 1 0 388.917 2.527 20 0 GFADRO CN(CCCN1CC[NH+](C)CC1)C(=O)CCc1cc(Br)cs1 ZINC000110866752 655160672 /nfs/dbraw/zinc/16/06/72/655160672.db2.gz HJZVKYSXVHFUMS-UHFFFAOYSA-N 1 0 388.375 2.539 20 0 GFADRO Cc1ccsc1-c1nn(CN2CC[C@H](C[NH+]3CCOCC3)C2)c(=S)o1 ZINC000172936004 655161069 /nfs/dbraw/zinc/16/10/69/655161069.db2.gz FCJAXAWRFJVGCS-CQSZACIVSA-N 1 0 380.539 2.854 20 0 GFADRO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@H]1N2C(=O)c1cc(Br)n(C)n1 ZINC000839233189 661076673 /nfs/dbraw/zinc/07/66/73/661076673.db2.gz SEZOUWMQNOLMSA-XJKSGUPXSA-N 1 0 389.297 2.939 20 0 GFADRO O=C(CS(=O)(=O)c1ccc(Cl)cc1)NCCCCC[NH+]1CCCCC1 ZINC000111039591 655163484 /nfs/dbraw/zinc/16/34/84/655163484.db2.gz PXTXHLIPNAKNJN-UHFFFAOYSA-N 1 0 386.945 2.886 20 0 GFADRO O=C(Nc1cccc(I)c1)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000111243465 655167104 /nfs/dbraw/zinc/16/71/04/655167104.db2.gz IWIKWKHRNTXBHO-NSHDSACASA-N 1 0 384.139 2.772 20 0 GFADRO CC[NH+](CC)[C@@H](CNC(=O)c1c[nH]c(=O)c(Br)c1)c1ccco1 ZINC000173286401 655167419 /nfs/dbraw/zinc/16/74/19/655167419.db2.gz FZBNOQGFFTYKLX-ZDUSSCGKSA-N 1 0 382.258 2.543 20 0 GFADRO NS(=O)(=O)c1ccc(OCC[N@@H+]2CC[C@H](c3ccc(Cl)cc3)C2)cc1 ZINC000111306051 655168276 /nfs/dbraw/zinc/16/82/76/655168276.db2.gz WTHIWIKQHCPZSX-HNNXBMFYSA-N 1 0 380.897 2.856 20 0 GFADRO O=S(=O)(Cc1ccc(OC(F)(F)F)cc1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000111338231 655168826 /nfs/dbraw/zinc/16/88/26/655168826.db2.gz LDDYZMOSFUETPY-AWEZNQCLSA-N 1 0 378.416 2.585 20 0 GFADRO CC[N@@H+]1CCCC[C@H]1CNS(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1F ZINC000111352858 655170511 /nfs/dbraw/zinc/17/05/11/655170511.db2.gz PHGRQAXCLROZLO-LBPRGKRZSA-N 1 0 391.896 2.590 20 0 GFADRO Cc1nn(C)c(C)c1C[NH2+]CCC(=O)N(C)Cc1ccccc1Br ZINC000111391184 655172484 /nfs/dbraw/zinc/17/24/84/655172484.db2.gz YXKPAAZYVLRWCT-UHFFFAOYSA-N 1 0 393.329 2.938 20 0 GFADRO CC(C)[N@H+](C)CCNC(=O)N[C@@H]1CCN(c2ccccc2Br)C1 ZINC000111494188 655173274 /nfs/dbraw/zinc/17/32/74/655173274.db2.gz XVODKDGFHATNCO-CQSZACIVSA-N 1 0 383.334 2.667 20 0 GFADRO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)Nc2ccc(C)cc2Br)C1 ZINC000173708533 655177097 /nfs/dbraw/zinc/17/70/97/655177097.db2.gz UPQBUEJLAZDOED-CYBMUJFWSA-N 1 0 382.302 2.639 20 0 GFADRO Cc1cc(Br)ccc1CNC(=O)N[C@@H](C)[C@@H](C)N1CCOCC1 ZINC000111858477 655178219 /nfs/dbraw/zinc/17/82/19/655178219.db2.gz QLKIATPQDWUXNG-UONOGXRCSA-N 1 0 384.318 2.666 20 0 GFADRO CC(=O)NC1CCC([NH2+]Cc2cc(Br)c3c(c2)OCCO3)CC1 ZINC000274197582 655178505 /nfs/dbraw/zinc/17/85/05/655178505.db2.gz JQSKMBBATSZSRE-UHFFFAOYSA-N 1 0 383.286 2.757 20 0 GFADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)Nc1cc(Br)ccc1OC ZINC000111866548 655178544 /nfs/dbraw/zinc/17/85/44/655178544.db2.gz OTSGZQPCLKITLJ-ZDUSSCGKSA-N 1 0 386.290 2.690 20 0 GFADRO Brc1cc2c(cc1C[NH2+]CCc1cn3c(n1)SCC3)OCO2 ZINC000274241442 655181130 /nfs/dbraw/zinc/18/11/30/655181130.db2.gz HMNFGXXHJQMZPB-UHFFFAOYSA-N 1 0 382.283 2.812 20 0 GFADRO Cc1cc(Br)ccc1CNC(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000173915747 655185156 /nfs/dbraw/zinc/18/51/56/655185156.db2.gz ROBSBSDWZHWGAH-UHFFFAOYSA-N 1 0 380.290 2.837 20 0 GFADRO COc1ccccc1S(=O)(=O)CCC[NH2+][C@@H](CO)c1ccc(Cl)cc1 ZINC000274338051 655185446 /nfs/dbraw/zinc/18/54/46/655185446.db2.gz SUEQLUOYTAKWQG-INIZCTEOSA-N 1 0 383.897 2.836 20 0 GFADRO CC[N@H+](C)C[C@@H]1CCN(CC(=O)N[C@@H](C)c2ccc(Br)cc2)C1 ZINC000173921107 655185580 /nfs/dbraw/zinc/18/55/80/655185580.db2.gz ZENFCBRHLGVAND-GJZGRUSLSA-N 1 0 382.346 2.900 20 0 GFADRO CC[NH+](CC)C[C@H]1CCN(S(=O)(=O)c2cccc(Br)c2)C1 ZINC000173923179 655185740 /nfs/dbraw/zinc/18/57/40/655185740.db2.gz SUKLKKMIVSLSLA-CYBMUJFWSA-N 1 0 375.332 2.802 20 0 GFADRO C[C@H](C[NH3+])NC(=O)c1cnn(-c2ncc(Cl)cc2Cl)c1C(F)(F)F ZINC000274398116 655186938 /nfs/dbraw/zinc/18/69/38/655186938.db2.gz GANKGMSQYPHLAZ-ZCFIWIBFSA-N 1 0 382.173 2.670 20 0 GFADRO CCCC[N@H+](C)CCNC(=O)C[C@H](NC(C)=O)c1ccc(Br)cc1 ZINC000112310843 655188425 /nfs/dbraw/zinc/18/84/25/655188425.db2.gz YNLHXJFELSWDBF-KRWDZBQOSA-N 1 0 398.345 2.865 20 0 GFADRO C[N@@H+](C[C@H](O)c1cccc(Br)c1)C[C@H](O)COCc1ccco1 ZINC000839634276 661097008 /nfs/dbraw/zinc/09/70/08/661097008.db2.gz BLXKPGHBGXXVAZ-RDJZCZTQSA-N 1 0 384.270 2.585 20 0 GFADRO C[C@@H](Cn1cncn1)[NH2+]Cc1cc(Br)cc(Br)c1N ZINC000274531976 655192281 /nfs/dbraw/zinc/19/22/81/655192281.db2.gz ANXDAXGODWBOMG-QMMMGPOBSA-N 1 0 389.095 2.564 20 0 GFADRO CC[N@H+](CCNC(=O)[C@H]1CSCN1C(=O)c1ccc(Cl)cc1)C(C)C ZINC000112928171 655200058 /nfs/dbraw/zinc/20/00/58/655200058.db2.gz RHUMJVRGCITSSM-MRXNPFEDSA-N 1 0 383.945 2.702 20 0 GFADRO Cc1cc(NC(=O)CNC(=O)C2CC[NH+](C(C)C)CC2)ccc1Br ZINC000174423039 655202031 /nfs/dbraw/zinc/20/20/31/655202031.db2.gz RWLAZEUQDMONAE-UHFFFAOYSA-N 1 0 396.329 2.933 20 0 GFADRO COc1ccc(C[NH2+]Cc2cccc(N3CCOCC3)n2)cc1Br ZINC000274794335 655202191 /nfs/dbraw/zinc/20/21/91/655202191.db2.gz NEJQYXBFBXLUPH-UHFFFAOYSA-N 1 0 392.297 2.979 20 0 GFADRO CC(C)[N@H+](C)Cc1cccc(CNC(=O)c2cnn(C)c2Br)c1 ZINC000274821282 655203354 /nfs/dbraw/zinc/20/33/54/655203354.db2.gz WILRMUMGLQCWAM-UHFFFAOYSA-N 1 0 379.302 2.953 20 0 GFADRO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C[C@H]1Sc2ccc(Cl)cc2NC1=O ZINC000113233387 655205547 /nfs/dbraw/zinc/20/55/47/655205547.db2.gz ZERONSRGJCGPLL-AXAPSJFSSA-N 1 0 379.913 2.838 20 0 GFADRO O=C(NCC[NH2+]Cc1cccc2c1OCO2)c1cccc(Br)c1 ZINC000113354581 655208503 /nfs/dbraw/zinc/20/85/03/655208503.db2.gz JPCRRWISWYQIJR-UHFFFAOYSA-N 1 0 377.238 2.697 20 0 GFADRO CS[C@@H]1CN(C[C@H](O)c2ccc(Br)cc2)C[C@H]1[NH+]1CCCC1 ZINC000275003709 655210833 /nfs/dbraw/zinc/21/08/33/655210833.db2.gz AYINUNKLBSPKEA-IXDOHACOSA-N 1 0 385.371 2.994 20 0 GFADRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)Nc1ccccc1Br ZINC000113646709 655213162 /nfs/dbraw/zinc/21/31/62/655213162.db2.gz JFOVDPPDRAFFJQ-ZDUSSCGKSA-N 1 0 382.302 2.768 20 0 GFADRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2cc(Cl)c(N)c(Cl)c2)C1 ZINC000839505129 661088381 /nfs/dbraw/zinc/08/83/81/661088381.db2.gz XEXGVTQVGYOSBM-NSHDSACASA-N 1 0 387.311 2.608 20 0 GFADRO Cc1nn(Cc2cccc(Br)c2)c(C)c1C(=O)NCCC[NH+](C)C ZINC000175197792 655215301 /nfs/dbraw/zinc/21/53/01/655215301.db2.gz HBLPRDDFRZTTNJ-UHFFFAOYSA-N 1 0 393.329 2.992 20 0 GFADRO CC[C@@H]1CN(C(=O)Nc2ccc(Br)cc2F)CC[N@@H+]1C[C@@H](C)O ZINC000175288221 655218173 /nfs/dbraw/zinc/21/81/73/655218173.db2.gz OZXQYPFCDBWEBZ-DGCLKSJQSA-N 1 0 388.281 2.897 20 0 GFADRO COc1ccc(Br)c(NC(=O)NCCN2CCC([NH+](C)C)CC2)c1 ZINC000175305409 655219438 /nfs/dbraw/zinc/21/94/38/655219438.db2.gz AGRLSXSHAVTLLO-UHFFFAOYSA-N 1 0 399.333 2.605 20 0 GFADRO CC[N@@H+](CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1)CC(C)C ZINC000114725448 655227753 /nfs/dbraw/zinc/22/77/53/655227753.db2.gz DLHSXTBOTUCGLP-UHFFFAOYSA-N 1 0 375.922 2.507 20 0 GFADRO C[C@H](CNC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1)Oc1ccccc1Br ZINC000175977698 655230891 /nfs/dbraw/zinc/23/08/91/655230891.db2.gz PBVKITHDEZHIFJ-HUUCEWRRSA-N 1 0 394.313 2.872 20 0 GFADRO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)C(=O)c1ccc(Br)s1 ZINC000839559529 661092038 /nfs/dbraw/zinc/09/20/38/661092038.db2.gz YUHZFMLOGCBQDL-ZDUSSCGKSA-N 1 0 395.322 2.982 20 0 GFADRO NC(=O)c1cnn2c1C[C@@H](C[NH2+][C@@H]1CCc3c1cccc3Br)CC2 ZINC000275366123 655232072 /nfs/dbraw/zinc/23/20/72/655232072.db2.gz BQIIHDTVKPTTCP-MEDUHNTESA-N 1 0 389.297 2.584 20 0 GFADRO C[C@@H](NC(=O)NCC(=O)Nc1ccc(Br)cc1)C(C)(C)C[NH+](C)C ZINC000176025356 655232154 /nfs/dbraw/zinc/23/21/54/655232154.db2.gz ZIDZGTPDWJJOTN-GFCCVEGCSA-N 1 0 399.333 2.663 20 0 GFADRO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)c1cc(I)c[nH]1 ZINC000115318085 655234652 /nfs/dbraw/zinc/23/46/52/655234652.db2.gz AUXVVTPAEMHAQN-CYBMUJFWSA-N 1 0 399.232 2.779 20 0 GFADRO CSc1nnc(CNC(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)s1 ZINC000275422092 655235344 /nfs/dbraw/zinc/23/53/44/655235344.db2.gz HVQSCMWEPZGTKO-AWEZNQCLSA-N 1 0 377.539 2.724 20 0 GFADRO C[C@H]1CCSCC[N@@H+]1CCC(=O)Nc1sc2c(c1C(N)=O)CCCC2 ZINC000839577103 661093222 /nfs/dbraw/zinc/09/32/22/661093222.db2.gz AOGLXGMZTMUEQZ-LBPRGKRZSA-N 1 0 381.567 2.882 20 0 GFADRO Cc1cc(Br)ccc1CNC(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000176187072 655238885 /nfs/dbraw/zinc/23/88/85/655238885.db2.gz PWVABOOCEXUGBO-HNNXBMFYSA-N 1 0 396.329 2.621 20 0 GFADRO CCOCCC[N@@H+]1CC[C@H](NS(=O)(=O)Cc2ccccc2Cl)[C@H](C)C1 ZINC000115591692 655240056 /nfs/dbraw/zinc/24/00/56/655240056.db2.gz WHPGJOOVVWWMBO-QAPCUYQASA-N 1 0 388.961 2.896 20 0 GFADRO Cn1cncc1[C@@H]1C[C@@H]([NH2+]Cc2cnc3ccc(Br)cn23)CCO1 ZINC000275620692 655244300 /nfs/dbraw/zinc/24/43/00/655244300.db2.gz ROIGYDIGYZWJHG-BBRMVZONSA-N 1 0 390.285 2.840 20 0 GFADRO O=C(C[N@@H+](CCO)C1CCOCC1)Nc1ccc(Cl)cc1C(F)(F)F ZINC000275666998 655246353 /nfs/dbraw/zinc/24/63/53/655246353.db2.gz YTBZKJGCBGEFCT-UHFFFAOYSA-N 1 0 380.794 2.771 20 0 GFADRO Cc1ccc([C@H]2CSCC[N@@H+]2CCc2ccc(S(N)(=O)=O)cc2)cc1 ZINC000116325971 655247356 /nfs/dbraw/zinc/24/73/56/655247356.db2.gz HKHRZJJPHVCDGU-LJQANCHMSA-N 1 0 376.547 2.975 20 0 GFADRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)Nc1ccc(Br)cc1 ZINC000275752568 655249568 /nfs/dbraw/zinc/24/95/68/655249568.db2.gz BHRLCAMWPQFDLW-LBPRGKRZSA-N 1 0 382.302 2.576 20 0 GFADRO C[NH+](C)CC[C@H](NC(=O)C(=O)Nc1cccc(Br)c1)C(C)(C)C ZINC000116589303 655249806 /nfs/dbraw/zinc/24/98/06/655249806.db2.gz QWIXKBUGQWDQLR-AWEZNQCLSA-N 1 0 384.318 2.870 20 0 GFADRO CNS(=O)(=O)CC[NH2+]Cc1cn(C(C)(C)C)nc1-c1ccccc1Cl ZINC000276107201 655262363 /nfs/dbraw/zinc/26/23/63/655262363.db2.gz XHQROWYCNCVMTJ-UHFFFAOYSA-N 1 0 384.933 2.597 20 0 GFADRO C[NH+](C)CCCOC1CCN(C(=O)Cc2ccc(Br)cc2)CC1 ZINC000177080881 655267434 /nfs/dbraw/zinc/26/74/34/655267434.db2.gz DBGVARMKYDGBJY-UHFFFAOYSA-N 1 0 383.330 2.951 20 0 GFADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)C[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000177146090 655270002 /nfs/dbraw/zinc/27/00/02/655270002.db2.gz AMDYNNWTDGUBRU-CVEARBPZSA-N 1 0 375.296 2.644 20 0 GFADRO CCCC[N@H+](C)CCNC(=O)C(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000118114984 655272150 /nfs/dbraw/zinc/27/21/50/655272150.db2.gz HVLWUJWNVLPMCI-UHFFFAOYSA-N 1 0 377.819 2.728 20 0 GFADRO CN(CC[N@H+](C)C1CCN(C)CC1)CC(=O)Nc1c(Cl)cccc1Cl ZINC000177385073 655274900 /nfs/dbraw/zinc/27/49/00/655274900.db2.gz RYHWKGSLSGJHAU-UHFFFAOYSA-N 1 0 387.355 2.890 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)COc2ccc(C=O)cc2Br)C1 ZINC000177484785 655277419 /nfs/dbraw/zinc/27/74/19/655277419.db2.gz NQFITAHILKJPMC-ZIAGYGMSSA-N 1 0 383.286 2.629 20 0 GFADRO C[C@H](C(=O)N1CC[NH+](C2CCOCC2)CC1)c1ccc(Br)cc1 ZINC000118981110 655285440 /nfs/dbraw/zinc/28/54/40/655285440.db2.gz IKKPBRBXDIAOHY-AWEZNQCLSA-N 1 0 381.314 2.876 20 0 GFADRO C[C@@H](Cc1ccc(Br)cc1)[NH2+]C[C@@H]1CCn2ncc(C(N)=O)c2C1 ZINC000276750633 655285990 /nfs/dbraw/zinc/28/59/90/655285990.db2.gz KXFLDXQQRMOAJK-GXTWGEPZSA-N 1 0 391.313 2.528 20 0 GFADRO C[C@H](C(=O)Nc1cccc(Br)c1)[N@@H+]1CCC[C@H](Cn2ccnn2)C1 ZINC000119050485 655288001 /nfs/dbraw/zinc/28/80/01/655288001.db2.gz ONFRAUMPCNZPRA-KGLIPLIRSA-N 1 0 392.301 2.780 20 0 GFADRO C[C@H]1CCC[N@H+](CCNC(=O)N[C@@H](CO)c2cccc(Br)c2)C1 ZINC000177932695 655292156 /nfs/dbraw/zinc/29/21/56/655292156.db2.gz NZVAOUPCFNHZRC-BBRMVZONSA-N 1 0 384.318 2.514 20 0 GFADRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]Cc2ccc(S(C)(=O)=O)c(Cl)c2)C1 ZINC000276959913 655295164 /nfs/dbraw/zinc/29/51/64/655295164.db2.gz DAEMBSNSYQQGMG-CYBMUJFWSA-N 1 0 388.917 2.843 20 0 GFADRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)C(=O)Nc2nc(-c3cccs3)cs2)C1 ZINC000178013558 655295530 /nfs/dbraw/zinc/29/55/30/655295530.db2.gz XFCXJKNTXLRCRR-NEPJUHHUSA-N 1 0 378.523 2.799 20 0 GFADRO Cc1nc(C)c([C@@H](C)[NH2+]CC2CCN(S(=O)(=O)C(F)(F)F)CC2)s1 ZINC000178108305 655298015 /nfs/dbraw/zinc/29/80/15/655298015.db2.gz QEXHFJAKTAVWIX-SECBINFHSA-N 1 0 385.477 2.972 20 0 GFADRO C[C@@H]([NH2+][C@@H](C)C1CCCC1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000178227755 655299905 /nfs/dbraw/zinc/29/99/05/655299905.db2.gz RAECMAOGIMRJRV-UONOGXRCSA-N 1 0 388.555 2.642 20 0 GFADRO C[NH+](C)[C@H]1CCCN(S(=O)(=O)c2cc(F)c(Br)cc2F)CC1 ZINC000277102597 655303613 /nfs/dbraw/zinc/30/36/13/655303613.db2.gz WHZYCEGPIBPMSP-JTQLQIEISA-N 1 0 397.285 2.832 20 0 GFADRO C[C@@H]([NH3+])CCNC(=O)c1cccc(NC(=O)c2ccc(Br)o2)c1 ZINC000178627691 655306316 /nfs/dbraw/zinc/30/63/16/655306316.db2.gz GXWABBMNEGTNQK-SNVBAGLBSA-N 1 0 380.242 2.762 20 0 GFADRO CN1CCN(C(=O)CC[NH2+][C@H]2CCSc3ccc(Br)cc32)CC1 ZINC000178672159 655307833 /nfs/dbraw/zinc/30/78/33/655307833.db2.gz XRCQFFRSWWVPGC-HNNXBMFYSA-N 1 0 398.370 2.740 20 0 GFADRO COC(=O)c1c(Br)ccc(NC(=O)N2CCC[N@H+](C)CC2)c1C ZINC000277222402 655308450 /nfs/dbraw/zinc/30/84/50/655308450.db2.gz NIXLWFONYDBMFA-UHFFFAOYSA-N 1 0 384.274 2.714 20 0 GFADRO C[NH+](C)CCN(Cc1cccs1)C(=O)NCCOc1ncccc1Cl ZINC000119646995 655309947 /nfs/dbraw/zinc/30/99/47/655309947.db2.gz KHHUUDGXKSEGSU-UHFFFAOYSA-N 1 0 382.917 2.949 20 0 GFADRO O=C([C@@H](O)c1cc(Cl)cc(Cl)c1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000179237638 655312233 /nfs/dbraw/zinc/31/22/33/655312233.db2.gz AQECADSNQZZDCI-KRWDZBQOSA-N 1 0 387.307 2.598 20 0 GFADRO C[NH+](C)CCn1ccc(NCc2cc(Br)c3c(c2)OCCCO3)n1 ZINC000119753291 655313786 /nfs/dbraw/zinc/31/37/86/655313786.db2.gz ZGBBSHYKINMHDX-UHFFFAOYSA-N 1 0 395.301 2.981 20 0 GFADRO COc1ccc(Br)c(C(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)c1 ZINC000277366596 655315118 /nfs/dbraw/zinc/31/51/18/655315118.db2.gz CAJFLYWUPPVMBV-ZDUSSCGKSA-N 1 0 385.302 2.688 20 0 GFADRO Cc1cc(Br)cc(C[N@@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)c1O ZINC000179659647 655315711 /nfs/dbraw/zinc/31/57/11/655315711.db2.gz AKYDZUVRUJUNDB-AWEZNQCLSA-N 1 0 397.313 2.534 20 0 GFADRO CC[N@@H+]1CC[C@H](CNC(=O)c2cc(I)c(F)cc2F)C1 ZINC000119834166 655317411 /nfs/dbraw/zinc/31/74/11/655317411.db2.gz SCXSUOFCKWSWDT-SECBINFHSA-N 1 0 394.203 2.641 20 0 GFADRO O=S1(=O)CC[C@@H]([NH2+]Cc2ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc2)C1 ZINC000119887691 655319891 /nfs/dbraw/zinc/31/98/91/655319891.db2.gz YPWOCEUJUMNEQD-PWSUYJOCSA-N 1 0 391.333 2.835 20 0 GFADRO Cc1cc(Br)cc(C[N@H+](CCO)CCOCC(F)(F)F)c1O ZINC000180184704 655323563 /nfs/dbraw/zinc/32/35/63/655323563.db2.gz WNGLBKLTAFBFTC-UHFFFAOYSA-N 1 0 386.208 2.836 20 0 GFADRO O=C1C[C@@]2(CCN(Cc3nc(-c4cccc(Br)c4)c[nH]3)C2)CN1 ZINC000279421738 655327827 /nfs/dbraw/zinc/32/78/27/655327827.db2.gz NHHUNFSHQRGUPB-KRWDZBQOSA-N 1 0 375.270 2.551 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)NCCCCn2cc(Br)cn2)C1 ZINC000279423586 655327833 /nfs/dbraw/zinc/32/78/33/655327833.db2.gz CYKKOPGPNKNLRO-HUUCEWRRSA-N 1 0 386.338 2.598 20 0 GFADRO CCCN(CC[NH+](CC)CC)C(=O)NCc1ccc(S(=O)(=O)CC)s1 ZINC000280323611 655329160 /nfs/dbraw/zinc/32/91/60/655329160.db2.gz IUFZYWNSYWVGHQ-UHFFFAOYSA-N 1 0 389.587 2.805 20 0 GFADRO CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@@H]1[NH2+]CCS(=O)(=O)C(C)(C)C ZINC000180891469 655331156 /nfs/dbraw/zinc/33/11/56/655331156.db2.gz WZDHNOROFCTISD-GJZGRUSLSA-N 1 0 376.563 2.873 20 0 GFADRO C[NH+](C)CC1(NC(=O)c2nc(Br)ccc2Br)CCC1 ZINC000280976955 655331238 /nfs/dbraw/zinc/33/12/38/655331238.db2.gz ATYLVVLTMHWKRR-UHFFFAOYSA-N 1 0 391.107 2.821 20 0 GFADRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)Nc1cc(Cl)c(Cl)cc1F ZINC000281561256 655335237 /nfs/dbraw/zinc/33/52/37/655335237.db2.gz WOXBLOGLLDKJQG-XPTSAGLGSA-N 1 0 376.259 2.870 20 0 GFADRO Cc1nc(-c2ccc(S(=O)(=O)N[C@@H]3CC[N@H+](CC4CC4)C3)s2)cs1 ZINC000120461831 655336440 /nfs/dbraw/zinc/33/64/40/655336440.db2.gz ANBIEHMZQBYVID-CYBMUJFWSA-N 1 0 383.564 2.943 20 0 GFADRO O=C(Cc1cc(Br)ccc1F)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000120554419 655338834 /nfs/dbraw/zinc/33/88/34/655338834.db2.gz PFPLCLYPYLIQML-UHFFFAOYSA-N 1 0 399.304 2.702 20 0 GFADRO Cc1ccc(I)cc1C(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000120553265 655338888 /nfs/dbraw/zinc/33/88/88/655338888.db2.gz SGVNCAZHIDDNKU-YPMHNXCESA-N 1 0 384.261 2.955 20 0 GFADRO C[C@H](NC(=O)N[C@@H]1COc2cc(F)c(Br)cc21)C1=CC[N@H+](C)CC1 ZINC000281868484 655339403 /nfs/dbraw/zinc/33/94/03/655339403.db2.gz KTUBZMXWAZZAQC-ZUZCIYMTSA-N 1 0 398.276 2.971 20 0 GFADRO Cn1ccnc1[C@@H](O)C1CC[NH+](C[C@H](O)c2ccc(Br)cc2)CC1 ZINC000120569917 655339421 /nfs/dbraw/zinc/33/94/21/655339421.db2.gz OQHOKBFMHYHTGX-IRXDYDNUSA-N 1 0 394.313 2.662 20 0 GFADRO CCCCO[C@H]1C[C@H]([NH2+]CC2CCN(S(=O)(=O)C(F)F)CC2)C1(C)C ZINC000181953904 655341640 /nfs/dbraw/zinc/34/16/40/655341640.db2.gz UNHLQYQSJDIJTK-GJZGRUSLSA-N 1 0 382.517 2.824 20 0 GFADRO Clc1cc(CC[NH2+]Cc2ncc(C3OCCO3)s2)cc2c1OCCO2 ZINC000289290427 655345666 /nfs/dbraw/zinc/34/56/66/655345666.db2.gz PQDCBXZAWITDGI-UHFFFAOYSA-N 1 0 382.869 2.945 20 0 GFADRO COCC[N@H+]1[C@H](C)CN(C(=O)CCc2ccc(Br)cc2)C[C@@H]1C ZINC000120937034 655346846 /nfs/dbraw/zinc/34/68/46/655346846.db2.gz XVBKCGQGGIXFLE-GASCZTMLSA-N 1 0 383.330 2.949 20 0 GFADRO OC[C@@H](C[C@@H](O)c1ccccc1)[NH2+]Cc1cn2ccc(Br)cc2n1 ZINC000289426764 655348805 /nfs/dbraw/zinc/34/88/05/655348805.db2.gz DERFTNASDDFQRD-NVXWUHKLSA-N 1 0 390.281 2.671 20 0 GFADRO CCCS(=O)(=O)CC[NH2+][C@]1(CNC(=O)OC(C)(C)C)CCCC[C@@H]1C ZINC000121272799 655348974 /nfs/dbraw/zinc/34/89/74/655348974.db2.gz LFPNBZUPEBCRLM-YJBOKZPZSA-N 1 0 376.563 2.874 20 0 GFADRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)c1 ZINC000183664549 655352756 /nfs/dbraw/zinc/35/27/56/655352756.db2.gz WOKNHBGIOCKLOP-GFCCVEGCSA-N 1 0 375.878 2.519 20 0 GFADRO CC(C)c1cnc(C[NH2+]CC2CCN(S(=O)(=O)C(F)(F)F)CC2)s1 ZINC000183742015 655353155 /nfs/dbraw/zinc/35/31/55/655353155.db2.gz ADQIGLZRDXKOGO-UHFFFAOYSA-N 1 0 385.477 2.918 20 0 GFADRO C[NH+](C)C1(CNC(=O)C2(Cc3ccccc3Br)CC2)CCOCC1 ZINC000292712791 655353728 /nfs/dbraw/zinc/35/37/28/655353728.db2.gz IBJVJNMAYBZCRR-UHFFFAOYSA-N 1 0 395.341 2.999 20 0 GFADRO CSCc1cnc(CN[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)s1 ZINC000293635638 655360616 /nfs/dbraw/zinc/36/06/16/655360616.db2.gz RJHDZTCLMLPYON-WMZOPIPTSA-N 1 0 377.579 2.979 20 0 GFADRO CN(C(=O)c1nn(C)cc1Br)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000293764374 655361622 /nfs/dbraw/zinc/36/16/22/655361622.db2.gz RAUFMMKSGLMVML-AWEZNQCLSA-N 1 0 377.286 2.529 20 0 GFADRO C[C@H](O)C[C@H]1CCC[N@@H+]1CN1CC[C@@H](c2cccc(Br)c2)C1=O ZINC000840032537 661126138 /nfs/dbraw/zinc/12/61/38/661126138.db2.gz ZCRMHHOUQRHGAX-XKQJLSEDSA-N 1 0 381.314 2.958 20 0 GFADRO OCC1([C@H]([NH2+]Cc2cnc3ccc(Br)cn23)C2CC2)CCOCC1 ZINC000293967358 655363403 /nfs/dbraw/zinc/36/34/03/655363403.db2.gz JUZFZXPJZJHJCO-QGZVFWFLSA-N 1 0 394.313 2.754 20 0 GFADRO C[C@H](O)C[C@@H]1CCC[N@@H+]1CN1CC[C@H](c2cccc(Br)c2)C1=O ZINC000840032535 661126618 /nfs/dbraw/zinc/12/66/18/661126618.db2.gz ZCRMHHOUQRHGAX-RRQGHBQHSA-N 1 0 381.314 2.958 20 0 GFADRO COCCNC(=O)[C@H](CC(C)C)[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000186356052 655368947 /nfs/dbraw/zinc/36/89/47/655368947.db2.gz HJWZCBYGZHRWQF-WFASDCNBSA-N 1 0 387.318 2.983 20 0 GFADRO CCOC(=O)N1CC[C@H]([NH2+][C@@H](C)CC(=O)Nc2cccc(Br)c2)C1 ZINC000186451890 655369632 /nfs/dbraw/zinc/36/96/32/655369632.db2.gz JLSUHGZMMVSVSB-WFASDCNBSA-N 1 0 398.301 2.987 20 0 GFADRO COC1(C[NH2+][C@@H](C)c2ccc(Br)c(S(N)(=O)=O)c2)CCCC1 ZINC000297401225 655370397 /nfs/dbraw/zinc/37/03/97/655370397.db2.gz SMONDVGXRXDDIN-NSHDSACASA-N 1 0 391.331 2.706 20 0 GFADRO O=C(Cn1cc(Br)cn1)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000298733328 655373842 /nfs/dbraw/zinc/37/38/42/655373842.db2.gz SDFPOMXBCRNBOO-CQSZACIVSA-N 1 0 381.274 2.582 20 0 GFADRO Cc1cc(Br)cc([C@@H](C)[NH2+]CC2CCS(=O)(=O)CC2)c1O ZINC000187402386 655374152 /nfs/dbraw/zinc/37/41/52/655374152.db2.gz YOLPDPSOISWZOJ-LLVKDONJSA-N 1 0 376.316 2.939 20 0 GFADRO CN(CC1([NH+](C)C)CCC1)C(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000188007986 655377650 /nfs/dbraw/zinc/37/76/50/655377650.db2.gz YFZZMJXHBGQJES-UHFFFAOYSA-N 1 0 378.416 2.536 20 0 GFADRO CC[C@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1cc(C(=O)OC)ccc1Cl ZINC000303642664 655378028 /nfs/dbraw/zinc/37/80/28/655378028.db2.gz SGDNRFCYNBVLKO-AWEZNQCLSA-N 1 0 388.917 2.669 20 0 GFADRO C[N@@H+]1CCC[C@@]2(CCN(Cn3c(=O)oc4cccc(Br)c43)C2)C1 ZINC000840087042 661130539 /nfs/dbraw/zinc/13/05/39/661130539.db2.gz PKPGSRVIXAPBLP-QGZVFWFLSA-N 1 0 380.286 2.732 20 0 GFADRO C[N@@H+]1CCC[C@]2(CCN(Cn3nc(Br)c(=O)c4ccccc43)C2)C1 ZINC000840085614 661130662 /nfs/dbraw/zinc/13/06/62/661130662.db2.gz GHPGHCDGOYPLIC-SFHVURJKSA-N 1 0 391.313 2.534 20 0 GFADRO COc1ccc(Br)cc1S(=O)(=O)NC[C@@H](C)[NH+]1CCCCC1 ZINC000314932138 655380785 /nfs/dbraw/zinc/38/07/85/655380785.db2.gz PFRUJHTVHNVZEZ-GFCCVEGCSA-N 1 0 391.331 2.610 20 0 GFADRO C[NH+](C)CCN(C1CCCC1)S(=O)(=O)c1c(Cl)nc2sccn21 ZINC000321109791 655382542 /nfs/dbraw/zinc/38/25/42/655382542.db2.gz YPLJOWFCJRFHJF-UHFFFAOYSA-N 1 0 376.935 2.544 20 0 GFADRO O=C(c1cnn(-c2ccc(Br)cc2)c1)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000333815480 655388113 /nfs/dbraw/zinc/38/81/13/655388113.db2.gz JZVYWMYRDWTBFN-QGZVFWFLSA-N 1 0 375.270 2.603 20 0 GFADRO O=C1CN(Cc2cccc(Br)c2)C(=O)N1[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000349237890 655388751 /nfs/dbraw/zinc/38/87/51/655388751.db2.gz NJROJSLXASRKSC-HOTGVXAUSA-N 1 0 392.297 2.840 20 0 GFADRO O=C(CCNc1ncc(C(F)(F)F)cc1Cl)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000365241093 655392676 /nfs/dbraw/zinc/39/26/76/655392676.db2.gz AIIJZZZSIPTZLV-GWCFXTLKSA-N 1 0 376.810 2.766 20 0 GFADRO Brc1cc(CN2CCC[N@@H+](C3CCOCC3)CC2)cc2c1OCO2 ZINC000365479848 655394178 /nfs/dbraw/zinc/39/41/78/655394178.db2.gz FMXPAGSVKLJJLQ-UHFFFAOYSA-N 1 0 397.313 2.865 20 0 GFADRO C[C@@H]([NH2+]C1CCN(CCN2CCOCC2)CC1)c1ccc(Br)cc1 ZINC000365478999 655394198 /nfs/dbraw/zinc/39/41/98/655394198.db2.gz DKRDQHBPXRPYEL-MRXNPFEDSA-N 1 0 396.373 2.896 20 0 GFADRO Cc1nc(C)c(S(=O)(=O)N2C[C@H]3[C@H](C2)C[N@@H+](C)[C@@H]3c2ccccc2)s1 ZINC000365898491 655396092 /nfs/dbraw/zinc/39/60/92/655396092.db2.gz ZTCQBRNOXRFQET-YESZJQIVSA-N 1 0 377.535 2.683 20 0 GFADRO O=C(NCCc1cccs1)C1CC[NH+](CCI)CC1 ZINC000190960606 655396170 /nfs/dbraw/zinc/39/61/70/655396170.db2.gz HRORTYNFLXSBPQ-UHFFFAOYSA-N 1 0 392.306 2.554 20 0 GFADRO O=c1ccn(C[N@H+]2CC[C@](O)(C(F)(F)F)C2)c2c(Br)cccc12 ZINC000191431795 655398572 /nfs/dbraw/zinc/39/85/72/655398572.db2.gz GUPZJCHCMMVWCF-CQSZACIVSA-N 1 0 391.187 2.721 20 0 GFADRO COCC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(Cl)cc2Br)C1 ZINC000398917363 655402598 /nfs/dbraw/zinc/40/25/98/655402598.db2.gz QFTDOVICFOYBRR-GFCCVEGCSA-N 1 0 375.694 2.943 20 0 GFADRO Cn1nc(Br)cc1C(=O)NC[C@@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000192118674 655402650 /nfs/dbraw/zinc/40/26/50/655402650.db2.gz AGHMKMYQSFNVEU-AWEZNQCLSA-N 1 0 383.334 2.957 20 0 GFADRO [NH3+]C1(CNC(=O)N[C@@H](CCO)c2ccccc2Br)CCCCC1 ZINC000418319944 655405487 /nfs/dbraw/zinc/40/54/87/655405487.db2.gz PGTDKOTWMRFXRQ-HNNXBMFYSA-N 1 0 384.318 2.833 20 0 GFADRO C[NH2+]CCNC(=O)N(Cc1cccc(Br)c1)CC1(O)CCCCC1 ZINC000418336807 655405620 /nfs/dbraw/zinc/40/56/20/655405620.db2.gz XOWAJXATZMZUTP-UHFFFAOYSA-N 1 0 398.345 2.875 20 0 GFADRO COCC[C@H](Cc1cccc(Br)c1)C(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000424026583 655407901 /nfs/dbraw/zinc/40/79/01/655407901.db2.gz KVSAREZEONZPCJ-APWZRJJASA-N 1 0 395.341 2.999 20 0 GFADRO O=C(c1ncc(Br)cc1Br)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000424032725 655407921 /nfs/dbraw/zinc/40/79/21/655407921.db2.gz WGDMUEJKOIHHEE-CYBMUJFWSA-N 1 0 389.091 2.575 20 0 GFADRO CC(C)Nc1ccc(Br)cc1NC(=O)c1n[nH]c2c1C[NH2+]CC2 ZINC000446266789 655409772 /nfs/dbraw/zinc/40/97/72/655409772.db2.gz XRTYEXLTWDLDSB-UHFFFAOYSA-N 1 0 378.274 2.891 20 0 GFADRO C[C@@H](O)C[N@@H+]1CCN(C(=O)CCSc2nc3ccccc3s2)[C@@H](C)C1 ZINC000194015360 655413806 /nfs/dbraw/zinc/41/38/06/655413806.db2.gz DWRDTUTUHKSULU-UONOGXRCSA-N 1 0 379.551 2.692 20 0 GFADRO CC(C)[N@H+](C)CCNC(=O)N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000473825798 655414639 /nfs/dbraw/zinc/41/46/39/655414639.db2.gz CUSUVOUMDWBQBH-CQSZACIVSA-N 1 0 387.311 2.738 20 0 GFADRO C[C@H]1OCC[C@@]1(O)C[NH2+]Cc1cc(Br)c(Br)s1 ZINC000227127160 655422780 /nfs/dbraw/zinc/42/27/80/655422780.db2.gz OPOPNPBQHLCVDB-RDDDGLTNSA-N 1 0 385.121 2.903 20 0 GFADRO C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000560655593 655423600 /nfs/dbraw/zinc/42/36/00/655423600.db2.gz OHBSLEOTFLUBOO-WCQYABFASA-N 1 0 384.307 2.866 20 0 GFADRO CCCC[C@H](C[NH3+])NS(=O)(=O)c1cc(C(=O)OC)c(Cl)cc1Cl ZINC000236745513 655424973 /nfs/dbraw/zinc/42/49/73/655424973.db2.gz CNKWCJHGYYRALL-SECBINFHSA-N 1 0 383.297 2.576 20 0 GFADRO COc1ccc(Br)cc1C(=O)CCC(=O)NC1CCC([NH3+])CC1 ZINC000237110284 655425680 /nfs/dbraw/zinc/42/56/80/655425680.db2.gz UXNDSEBIPLGWTR-UHFFFAOYSA-N 1 0 383.286 2.807 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000237557977 655426360 /nfs/dbraw/zinc/42/63/60/655426360.db2.gz UWKIQICBMGULGG-AWEZNQCLSA-N 1 0 394.313 2.592 20 0 GFADRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)COc1ccc(C=O)cc1Br ZINC000246200820 655429560 /nfs/dbraw/zinc/42/95/60/655429560.db2.gz NPVBCRBRQXUAHL-KGLIPLIRSA-N 1 0 397.313 2.877 20 0 GFADRO CC[C@H]([NH2+]C[C@@H]1CC[C@@H](C(=O)N(C)C)O1)c1cc(Br)ccc1O ZINC000248541637 655432687 /nfs/dbraw/zinc/43/26/87/655432687.db2.gz CADKUMMLZVBJEZ-NOLJZWGESA-N 1 0 385.302 2.831 20 0 GFADRO Cc1ccsc1-c1nn(CN2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)c(=S)o1 ZINC000249112203 655433803 /nfs/dbraw/zinc/43/38/03/655433803.db2.gz NAUAHMKGXMEQIE-ZDUSSCGKSA-N 1 0 382.555 2.977 20 0 GFADRO CN(CCC[NH3+])S(=O)(=O)c1ccc(Br)c(Cl)c1Cl ZINC000575058829 655434744 /nfs/dbraw/zinc/43/47/44/655434744.db2.gz XVRCXMCBNSOFOS-UHFFFAOYSA-N 1 0 376.103 2.725 20 0 GFADRO O=C(CC[NH2+]Cc1cn2ccc(Br)cc2n1)NCc1ccccc1 ZINC000575166779 655436692 /nfs/dbraw/zinc/43/66/92/655436692.db2.gz UILRAUJKIPKTKJ-UHFFFAOYSA-N 1 0 387.281 2.893 20 0 GFADRO CC[NH+](CC)C[C@H]1CCN(Cc2ncc(I)s2)C1 ZINC000575787503 655437094 /nfs/dbraw/zinc/43/70/94/655437094.db2.gz WHKKJYMYNFPVRZ-LLVKDONJSA-N 1 0 379.311 2.911 20 0 GFADRO C[NH+](C)CCOc1cnccc1CNC(=O)c1c(F)cccc1Br ZINC000575834591 655438077 /nfs/dbraw/zinc/43/80/77/655438077.db2.gz YCBVHSUOFKWPDT-UHFFFAOYSA-N 1 0 396.260 2.854 20 0 GFADRO C[C@H](NC(=O)Nc1ccc2c(c1)C[NH2+]CC2)c1ncc(Br)cn1 ZINC000575851646 655438447 /nfs/dbraw/zinc/43/84/47/655438447.db2.gz GZJTYOHDJVMAOW-JTQLQIEISA-N 1 0 376.258 2.768 20 0 GFADRO COc1ccc(OCCNC(=O)[C@](C)([NH3+])c2ccc(Br)cc2)cc1 ZINC000261681635 655441860 /nfs/dbraw/zinc/44/18/60/655441860.db2.gz GXVLBJVWHULICL-GOSISDBHSA-N 1 0 393.281 2.827 20 0 GFADRO CCCC[N@H+](C)C[C@@H](C)NC(=O)c1ccc(Br)cc1-n1cncn1 ZINC000576037841 655442448 /nfs/dbraw/zinc/44/24/48/655442448.db2.gz YYFJQHSRVMSFIV-CYBMUJFWSA-N 1 0 394.317 2.880 20 0 GFADRO Cc1cc(S(=O)(=O)N2C[C@@H]([NH3+])Cc3ccccc32)ccc1Br ZINC000262030304 655443534 /nfs/dbraw/zinc/44/35/34/655443534.db2.gz YTEXKYNXMAPXLD-ZDUSSCGKSA-N 1 0 381.295 2.836 20 0 GFADRO O=C(C[C@H]1COCC[NH2+]1)Nc1ncc(Cc2ccc(Br)cc2)s1 ZINC000262045559 655443692 /nfs/dbraw/zinc/44/36/92/655443692.db2.gz GSTZDUVXDBPNIS-ZDUSSCGKSA-N 1 0 396.310 2.813 20 0 GFADRO Cc1cc(C[NH2+]C[C@@H](O)COc2ccc(Cl)cc2Br)on1 ZINC000576339660 655445981 /nfs/dbraw/zinc/44/59/81/655445981.db2.gz VIYGYANOFCSBRW-LLVKDONJSA-N 1 0 375.650 2.928 20 0 GFADRO [NH3+]CCCN(Cc1ccccc1)S(=O)(=O)c1c(F)c(F)cc(F)c1F ZINC000576518363 655448364 /nfs/dbraw/zinc/44/83/64/655448364.db2.gz SPDWCXODCQBVNR-UHFFFAOYSA-N 1 0 376.375 2.783 20 0 GFADRO Cc1ccccc1C[C@H](CO)[NH2+][C@@H](C)Cn1cc(Br)ccc1=O ZINC000576850859 655453076 /nfs/dbraw/zinc/45/30/76/655453076.db2.gz XRGLMAHRKBIBMC-WMLDXEAASA-N 1 0 379.298 2.501 20 0 GFADRO Cc1cc(C(=O)NC[C@@]2(O)C[NH+]3CCC2CC3)cc(Cl)c1Br ZINC000576864908 655453339 /nfs/dbraw/zinc/45/33/39/655453339.db2.gz ZLPJQDNQVDZOIH-MRXNPFEDSA-N 1 0 387.705 2.597 20 0 GFADRO [NH3+]C1(CNC(=O)Cc2cc3c(cc2Br)OCCO3)CCCCCC1 ZINC000576874686 655453663 /nfs/dbraw/zinc/45/36/63/655453663.db2.gz AOGTXTQXEVXYKD-UHFFFAOYSA-N 1 0 397.313 2.931 20 0 GFADRO CC[C@H]1C[N@H+](C)CCN1C(=O)c1cc(=O)[nH]c2c(Br)cccc12 ZINC000577019304 655456185 /nfs/dbraw/zinc/45/61/85/655456185.db2.gz YFLHCVXVESWMLT-NSHDSACASA-N 1 0 378.270 2.869 20 0 GFADRO C[C@H]1CSc2ccc(Br)cc2[C@@H]1[NH2+]CCCn1cc(CO)nn1 ZINC000577029308 655456434 /nfs/dbraw/zinc/45/64/34/655456434.db2.gz ZSXDSCWRCRKXFO-MEDUHNTESA-N 1 0 397.342 2.996 20 0 GFADRO COCC[N@@H+]1CC[C@@H](NC(=O)c2cc(Cl)c(Br)cc2OC)C1 ZINC000577064409 655456864 /nfs/dbraw/zinc/45/68/64/655456864.db2.gz AVHZXNVRJOFGIX-SNVBAGLBSA-N 1 0 391.693 2.562 20 0 GFADRO Cc1cc(Cl)cc(NC(=O)C(=O)N[C@H](C)C[C@H](C)[NH3+])c1Br ZINC000577062545 655456897 /nfs/dbraw/zinc/45/68/97/655456897.db2.gz KEGURFIVFBDZGB-DTWKUNHWSA-N 1 0 376.682 2.591 20 0 GFADRO [NH3+]C[C@H]1CC[C@H](NS(=O)(=O)Cc2cc(Cl)ccc2Br)C1 ZINC000577373425 655458178 /nfs/dbraw/zinc/45/81/78/655458178.db2.gz QRGCFOAVDRFKKY-CABZTGNLSA-N 1 0 381.723 2.649 20 0 GFADRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)Nc1ccc(C(F)(F)F)c(Br)c1 ZINC000577396402 655458589 /nfs/dbraw/zinc/45/85/89/655458589.db2.gz XXVGMFUBUMQZCW-HTQZYQBOSA-N 1 0 396.207 2.648 20 0 GFADRO Cc1nc2scc(C3CC3)n2c1C[NH2+][C@@H]1CCCC[C@@H]1NS(C)(=O)=O ZINC000577477412 655460530 /nfs/dbraw/zinc/46/05/30/655460530.db2.gz UFQFDYKQMUDUGL-KGLIPLIRSA-N 1 0 382.555 2.532 20 0 GFADRO CC[C@@H](C(=O)Nc1cc(Br)cn(C)c1=O)[N@H+](C)Cc1ccccc1 ZINC000577565886 655462044 /nfs/dbraw/zinc/46/20/44/655462044.db2.gz QUDALUOBCMUWLG-INIZCTEOSA-N 1 0 392.297 2.997 20 0 GFADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)c1csc(-c2cccc(Cl)c2)n1 ZINC000264443336 655463823 /nfs/dbraw/zinc/46/38/23/655463823.db2.gz OHTWZDYYWRVKFT-ZDUSSCGKSA-N 1 0 378.929 2.829 20 0 GFADRO COc1ccc(CN2CCN(Cc3cnn(C)c3)CC2)c(Br)c1 ZINC000577661544 655463947 /nfs/dbraw/zinc/46/39/47/655463947.db2.gz PRRMBKYYAIOTHW-UHFFFAOYSA-N 1 0 379.302 2.509 20 0 GFADRO COCC[N@@H+]1CC[C@@H](NC(=O)Cc2csc(-c3ccccc3Cl)n2)C1 ZINC000264477057 655464493 /nfs/dbraw/zinc/46/44/93/655464493.db2.gz HFYJGHULUVLVNO-CYBMUJFWSA-N 1 0 379.913 2.843 20 0 GFADRO C[NH+](C)[C@H]1CCCN(C(=O)c2ccn(-c3cccc(Br)c3)n2)C1 ZINC000264478471 655464693 /nfs/dbraw/zinc/46/46/93/655464693.db2.gz ZPLIBUCNMRAWDV-HNNXBMFYSA-N 1 0 377.286 2.801 20 0 GFADRO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)c2cccc(Br)c2)CC1 ZINC000264528573 655465574 /nfs/dbraw/zinc/46/55/74/655465574.db2.gz NVNRFSCLYNEECJ-KRWDZBQOSA-N 1 0 380.330 2.691 20 0 GFADRO Cc1c[nH+]ccc1N1CCC(C(=O)N(C)c2ncc(Br)cn2)CC1 ZINC000577743122 655466271 /nfs/dbraw/zinc/46/62/71/655466271.db2.gz NYNBMBBAEPRFOY-UHFFFAOYSA-N 1 0 390.285 2.822 20 0 GFADRO O=C(C[C@H]1Sc2ccc(Cl)cc2NC1=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000264593444 655466766 /nfs/dbraw/zinc/46/67/66/655466766.db2.gz AVGLCMMXOAHZFT-MEDUHNTESA-N 1 0 379.913 2.743 20 0 GFADRO CN(CCCN1CC[NH+](C)CC1)C(=O)c1cc(-c2ccc(Cl)s2)on1 ZINC000264695468 655468655 /nfs/dbraw/zinc/46/86/55/655468655.db2.gz BAWLCPGTELKGCZ-UHFFFAOYSA-N 1 0 382.917 2.766 20 0 GFADRO O=C(NC[C@@H]1CCCC[N@H+]1CCO)[C@H]1C[C@H]1c1cccc(Br)c1 ZINC000578028284 655471531 /nfs/dbraw/zinc/47/15/31/655471531.db2.gz BVKJHINVUHNVRD-ULQDDVLXSA-N 1 0 381.314 2.516 20 0 GFADRO C[NH+](C)CCOc1cnccc1CNC(=O)[C@H]1SCCc2sccc21 ZINC000578097704 655472504 /nfs/dbraw/zinc/47/25/04/655472504.db2.gz JYYOQKWNPAYOKS-KRWDZBQOSA-N 1 0 377.535 2.730 20 0 GFADRO [NH3+]C[C@@H]1CCCC[C@]12NC(=O)N(Cc1ccc(Br)c(F)c1)C2=O ZINC000578320423 655476575 /nfs/dbraw/zinc/47/65/75/655476575.db2.gz SSTOPJJVYVNKGD-ZBEGNZNMSA-N 1 0 384.249 2.528 20 0 GFADRO Cc1ccc(OCCC(=O)NCC2([NH+](C)C)CCOCC2)c(Br)c1 ZINC000265068612 655476858 /nfs/dbraw/zinc/47/68/58/655476858.db2.gz GRKKGEXMKMNYQN-UHFFFAOYSA-N 1 0 399.329 2.753 20 0 GFADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)N(Cc1cccs1)Cc1cccs1 ZINC000265067518 655476897 /nfs/dbraw/zinc/47/68/97/655476897.db2.gz NCEMRHHKXUHSFR-OAHLLOKOSA-N 1 0 378.567 2.767 20 0 GFADRO C[C@@H](NC(=O)N(C)[C@H](C)C1CC[NH+](C)CC1)c1ncc(Br)cn1 ZINC000578495121 655480328 /nfs/dbraw/zinc/48/03/28/655480328.db2.gz XNJSUYWLGLWTTG-VXGBXAGGSA-N 1 0 384.322 2.672 20 0 GFADRO O=S(=O)(CCN1CC[C@]2(C1)CCC[NH2+]C2)c1cc(Cl)ccc1Cl ZINC000578507444 655480715 /nfs/dbraw/zinc/48/07/15/655480715.db2.gz RLNHGIWNMFXTGI-MRXNPFEDSA-N 1 0 377.337 2.843 20 0 GFADRO C[C@]([NH3+])(C(=O)NCCCOCC1CCOCC1)c1ccc(Br)cc1 ZINC000578528719 655481153 /nfs/dbraw/zinc/48/11/53/655481153.db2.gz OTIQRFNUCDBJGG-GOSISDBHSA-N 1 0 399.329 2.573 20 0 GFADRO CN(CCC[NH+](C)C)C(=O)[C@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000578574799 655482020 /nfs/dbraw/zinc/48/20/20/655482020.db2.gz KSKQRJZLGRLRJT-SUMWQHHRSA-N 1 0 386.323 2.923 20 0 GFADRO Cc1cc(Br)ccc1C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000265447439 655483588 /nfs/dbraw/zinc/48/35/88/655483588.db2.gz MTHCPIPPRZDYCR-UHFFFAOYSA-N 1 0 381.314 2.942 20 0 GFADRO CC(C)C(=O)N1CCC[N@H+](CCC(=O)Nc2cccc(Br)c2)CC1 ZINC000265620822 655487297 /nfs/dbraw/zinc/48/72/97/655487297.db2.gz BFIDHGBXOSKILW-UHFFFAOYSA-N 1 0 396.329 2.968 20 0 GFADRO CN(C[C@@H](O)c1cccc(Br)c1)C(=O)NCCC[NH+]1CCCCC1 ZINC000840244344 661149183 /nfs/dbraw/zinc/14/91/83/661149183.db2.gz IVTAUBMRHCBUGY-QGZVFWFLSA-N 1 0 398.345 3.000 20 0 GFADRO COC[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2cccc(I)c2)C1 ZINC000265844293 655491813 /nfs/dbraw/zinc/49/18/13/655491813.db2.gz XMKFULNZXVVBOL-RYUDHWBXSA-N 1 0 388.249 2.587 20 0 GFADRO C[C@H]1CCC[C@@](CNC(=O)c2cc(S(C)(=O)=O)ccc2Cl)([NH+](C)C)C1 ZINC000265957559 655493988 /nfs/dbraw/zinc/49/39/88/655493988.db2.gz XKCOAXHRVJTYKB-SCLBCKFNSA-N 1 0 386.945 2.984 20 0 GFADRO OC[C@@H]1CCC[C@H](C[NH2+]C[C@@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000579109778 655494165 /nfs/dbraw/zinc/49/41/65/655494165.db2.gz XXUQBYNKULZJFY-WOSRLPQWSA-N 1 0 390.293 2.716 20 0 GFADRO C[C@@H](C[NH+]1CCCCC1)NC(=O)N(C)C[C@H](O)c1cccc(Br)c1 ZINC000840253328 661149845 /nfs/dbraw/zinc/14/98/45/661149845.db2.gz LPXFAHRUDRTHGJ-YOEHRIQHSA-N 1 0 398.345 2.998 20 0 GFADRO O=C(CCOc1ccc(Cl)cc1Cl)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000266050180 655495755 /nfs/dbraw/zinc/49/57/55/655495755.db2.gz ALMFYMZLNQRMJX-CQSZACIVSA-N 1 0 387.307 2.943 20 0 GFADRO O[C@H](C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)COc1cccc(Br)c1 ZINC000579196171 655495978 /nfs/dbraw/zinc/49/59/78/655495978.db2.gz HYZBMAWGNFCGOI-XBVQOTNRSA-N 1 0 382.298 2.736 20 0 GFADRO COCC[NH2+]C1CCN(C(=O)Nc2cc(F)c(Br)cc2F)CC1 ZINC000579364925 655498381 /nfs/dbraw/zinc/49/83/81/655498381.db2.gz FKOXIZRPQUJHQM-UHFFFAOYSA-N 1 0 392.244 2.960 20 0 GFADRO O=C(NCC[C@H]1CCC[NH2+]1)Nc1ccnn1Cc1ccc(Br)cc1 ZINC000579448958 655499876 /nfs/dbraw/zinc/49/98/76/655499876.db2.gz CYTGXISJSCGESS-OAHLLOKOSA-N 1 0 392.301 2.958 20 0 GFADRO C[C@@H](NC(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1)c1ncc(Br)cn1 ZINC000579547484 655501173 /nfs/dbraw/zinc/50/11/73/655501173.db2.gz BHFMYZQJTTVNRH-OCCSQVGLSA-N 1 0 396.333 2.673 20 0 GFADRO C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+]C[C@@H](CO)c1cccnc1 ZINC000579749957 655503479 /nfs/dbraw/zinc/50/34/79/655503479.db2.gz PCYPNJQTPHCMMG-ZFWWWQNUSA-N 1 0 392.297 2.927 20 0 GFADRO Cc1ccc(CC(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)c(Br)c1 ZINC000579796906 655504222 /nfs/dbraw/zinc/50/42/22/655504222.db2.gz QJXSPGNIGYLPDL-UHFFFAOYSA-N 1 0 391.313 3.402 20 0 GFADRO CN1CC[NH+](CCCCNC(=O)N2CCc3c2cccc3Br)CC1 ZINC000579822091 655504272 /nfs/dbraw/zinc/50/42/72/655504272.db2.gz GNIUHZKMHHJZGW-UHFFFAOYSA-N 1 0 395.345 2.549 20 0 GFADRO COCC1(CNC(=O)CCc2cc(F)ccc2Br)CC[NH2+]CC1 ZINC000579824054 655504302 /nfs/dbraw/zinc/50/43/02/655504302.db2.gz WFHTWOCTCRCWJH-UHFFFAOYSA-N 1 0 387.293 2.653 20 0 GFADRO C[C@@H]([NH2+]CC[C@@H]1CCCS1(=O)=O)c1ccc(I)cc1 ZINC000714338308 655522910 /nfs/dbraw/zinc/52/29/10/655522910.db2.gz BIJPDZDRLQTPJY-RISCZKNCSA-N 1 0 393.290 2.909 20 0 GFADRO C[N@H+](Cc1ccccc1)[C@@H](CNS(=O)(=O)c1ccc(Cl)nc1)C1CC1 ZINC000718033220 655523877 /nfs/dbraw/zinc/52/38/77/655523877.db2.gz JBCBDFPQOWKMIO-KRWDZBQOSA-N 1 0 379.913 2.924 20 0 GFADRO NC(=O)CC1CC([NH2+]Cc2ccc(Br)c(Br)c2)C1 ZINC000718556676 655524141 /nfs/dbraw/zinc/52/41/41/655524141.db2.gz CFEQJNKGLWHYMK-UHFFFAOYSA-N 1 0 376.092 2.955 20 0 GFADRO CC(C)[C@H](C[NH+](C)C)NC(=O)c1cccc(F)c1I ZINC000721661652 655524980 /nfs/dbraw/zinc/52/49/80/655524980.db2.gz GGJLRSOTWABKFZ-LBPRGKRZSA-N 1 0 378.229 2.746 20 0 GFADRO C[C@H](CC[NH+](C)C)NC(=O)N1CCO[C@H](c2ccccc2Br)C1 ZINC000726245878 655532352 /nfs/dbraw/zinc/53/23/52/655532352.db2.gz CDBDFWLXTSZGTH-CJNGLKHVSA-N 1 0 384.318 2.872 20 0 GFADRO C[C@@H](C(=O)Nc1ccc(Br)cc1)[N@@H+]1CCC[C@@H](C2OCCO2)C1 ZINC000726375883 655533741 /nfs/dbraw/zinc/53/37/41/655533741.db2.gz KDJGZXDHZIGFRC-QWHCGFSZSA-N 1 0 383.286 2.861 20 0 GFADRO CCc1cccc(C)c1NC(=S)NNC(=S)NCC(C)(C)C[NH+](C)C ZINC000727071343 655541271 /nfs/dbraw/zinc/54/12/71/655541271.db2.gz WJHUGVSTWQHEFG-UHFFFAOYSA-N 1 0 381.615 2.811 20 0 GFADRO Cc1nn(C)c(Cl)c1S(=O)(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000729267808 655563719 /nfs/dbraw/zinc/56/37/19/655563719.db2.gz OLNJFKMDEOFYDN-GFCCVEGCSA-N 1 0 384.933 2.790 20 0 GFADRO O=C(CN1CCSC1=O)N(CC[NH+]1CCCC1)Cc1ccc(Cl)cc1 ZINC000732087203 655591693 /nfs/dbraw/zinc/59/16/93/655591693.db2.gz XLYJZUAVXJHTIN-UHFFFAOYSA-N 1 0 381.929 2.933 20 0 GFADRO Ic1ccccc1CN1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000732581635 655598205 /nfs/dbraw/zinc/59/82/05/655598205.db2.gz WSQRCOMFCRATNE-HNNXBMFYSA-N 1 0 386.277 2.588 20 0 GFADRO Ic1ccccc1CN1CCN(CC[NH+]2CCCC2)CC1 ZINC000732582974 655598267 /nfs/dbraw/zinc/59/82/67/655598267.db2.gz VLDWQUHNGRSVSW-UHFFFAOYSA-N 1 0 399.320 2.505 20 0 GFADRO CC(C)C[C@@H](CNC(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1)[NH+](C)C ZINC000733884329 655622834 /nfs/dbraw/zinc/62/28/34/655622834.db2.gz QVLMPKZMYLWMRY-ZDUSSCGKSA-N 1 0 380.432 2.686 20 0 GFADRO C[N@@H+]1CCCN(CCCNC(=O)c2cc3c(cccc3Br)[nH]2)CC1 ZINC000733978383 655624696 /nfs/dbraw/zinc/62/46/96/655624696.db2.gz ZAWWOJDQYLCCES-UHFFFAOYSA-N 1 0 393.329 2.688 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CNC(=S)NC[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000735625725 655650245 /nfs/dbraw/zinc/65/02/45/655650245.db2.gz IPRYHBXTKXGJAV-LSDHHAIUSA-N 1 0 376.353 2.975 20 0 GFADRO O=C(NC1CC[NH+](CCOc2ccc(Br)cc2)CC1)C1=COCC1 ZINC000736221831 655660401 /nfs/dbraw/zinc/66/04/01/655660401.db2.gz YVBPERSEMRBKKX-UHFFFAOYSA-N 1 0 395.297 2.713 20 0 GFADRO C[C@H]1C[C@@H](N(C)C(=S)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)CC[N@@H+]1C ZINC000736229422 655660415 /nfs/dbraw/zinc/66/04/15/655660415.db2.gz QKNSJLUTEROFJY-JQWIXIFHSA-N 1 0 379.921 2.631 20 0 GFADRO CC[NH+](CC)CC1CCN(C(=O)c2cc(S(C)(=O)=O)ccc2Cl)CC1 ZINC000740820276 655699560 /nfs/dbraw/zinc/69/95/60/655699560.db2.gz ZNQMOBMLZTWPLM-UHFFFAOYSA-N 1 0 386.945 2.938 20 0 GFADRO C[C@@H]1C[C@@H](C)[N@H+](CN2C(=O)N[C@@](C)(c3ccccc3Br)C2=O)C1 ZINC000740857946 655699857 /nfs/dbraw/zinc/69/98/57/655699857.db2.gz BNNLOTWKFPLBDQ-QFSBIZTOSA-N 1 0 380.286 2.904 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2c(Cl)nc3sccn32)C[C@@H]1C ZINC000740893747 655700543 /nfs/dbraw/zinc/70/05/43/655700543.db2.gz DFIHUQBUDXONAI-QWRGUYRKSA-N 1 0 376.935 2.543 20 0 GFADRO CC(C)(CCS(C)(=O)=O)[NH2+]Cc1ccccc1I ZINC000742387933 655717413 /nfs/dbraw/zinc/71/74/13/655717413.db2.gz JNVODLQBTLPRSN-UHFFFAOYSA-N 1 0 381.279 2.594 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)COc2ccc(C=O)cc2Br)C[C@@H]1C ZINC000742697551 655720412 /nfs/dbraw/zinc/72/04/12/655720412.db2.gz DQJPBPDATCNNBF-DZGCQCFKSA-N 1 0 397.313 2.972 20 0 GFADRO CSc1nc2ccc(NC(=O)C(=O)NCC[N@@H+]3CCC[C@@H]3C)cc2s1 ZINC000743980377 655733377 /nfs/dbraw/zinc/73/33/77/655733377.db2.gz LSDQYIBGPJHSPV-NSHDSACASA-N 1 0 378.523 2.557 20 0 GFADRO C[NH+]1CCN(Cc2ccc(NC(=O)c3ccc(Br)nc3)cc2)CC1 ZINC000746514842 655762948 /nfs/dbraw/zinc/76/29/48/655762948.db2.gz AZDQLEYBUAZMOI-UHFFFAOYSA-N 1 0 389.297 2.844 20 0 GFADRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)c1sc(N2CCCC2)nc1Cl ZINC000746599635 655764558 /nfs/dbraw/zinc/76/45/58/655764558.db2.gz JZMADMFYIHWNQL-ZDUSSCGKSA-N 1 0 386.949 2.580 20 0 GFADRO CC[NH+](CC)CCO[C@H]1CCN(C[C@@H](O)c2cccc(Br)c2)C1 ZINC000746676413 655766415 /nfs/dbraw/zinc/76/64/15/655766415.db2.gz UVRLHZMAYXVRSY-ZWKOTPCHSA-N 1 0 385.346 2.915 20 0 GFADRO O=S(=O)(NCC[NH2+]Cc1ccccc1N1CCCCC1)c1cccs1 ZINC000746740522 655767067 /nfs/dbraw/zinc/76/70/67/655767067.db2.gz FLZBMMAIBZQASP-UHFFFAOYSA-N 1 0 379.551 2.807 20 0 GFADRO Cc1cc(Br)ccc1SCC(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000747230821 655774692 /nfs/dbraw/zinc/77/46/92/655774692.db2.gz AHRXUTCZEPXVDI-GJZGRUSLSA-N 1 0 399.354 2.829 20 0 GFADRO CCc1c(Cl)nc(CS(C)(=O)=O)nc1NCC1([NH+](C)C)CCCCC1 ZINC000749092361 655799858 /nfs/dbraw/zinc/79/98/58/655799858.db2.gz NRZQYJKQCHJLDL-UHFFFAOYSA-N 1 0 388.965 2.913 20 0 GFADRO CO[C@@H](CNc1cc(NC[C@H](OC)C(F)(F)F)[nH+]c(C)n1)C(F)(F)F ZINC000751888386 655835680 /nfs/dbraw/zinc/83/56/80/655835680.db2.gz FJKOJQIPPKPORW-IUCAKERBSA-N 1 0 376.301 2.763 20 0 GFADRO CSCCNC(=S)Nc1ccc(NC(=O)NC2CC[NH+](C)CC2)cc1 ZINC000752762571 655846481 /nfs/dbraw/zinc/84/64/81/655846481.db2.gz HTMYMDFUMAPZGI-UHFFFAOYSA-N 1 0 381.571 2.552 20 0 GFADRO COC1CC[NH+](C2(CNC(=O)NC[C@H]3CSCCS3)CCCC2)CC1 ZINC000752954404 655848736 /nfs/dbraw/zinc/84/87/36/655848736.db2.gz KXGDKQITYNZKCI-INIZCTEOSA-N 1 0 387.615 2.558 20 0 GFADRO CCS(=O)(=O)NCCC[N@@H+](Cc1ccccc1)C[C@H](O)c1cccs1 ZINC000753160751 655851064 /nfs/dbraw/zinc/85/10/64/655851064.db2.gz KZTZSVFBDJDMGK-KRWDZBQOSA-N 1 0 382.551 2.613 20 0 GFADRO COC(=O)c1cc(C[NH2+]CC(=O)Nc2cc(Br)ccc2C)c[nH]1 ZINC000753368084 655853117 /nfs/dbraw/zinc/85/31/17/655853117.db2.gz MXDSCBKSOKCNIK-UHFFFAOYSA-N 1 0 380.242 2.601 20 0 GFADRO OCC[C@@H]([NH2+]C[C@@H](O)COc1ccc(Br)cc1)c1cccs1 ZINC000754385204 655867226 /nfs/dbraw/zinc/86/72/26/655867226.db2.gz NYTIRUNNNOCFDF-UKRRQHHQSA-N 1 0 386.311 2.964 20 0 GFADRO COC(=O)C[C@H]([NH2+][C@@H](C)C(=O)N(C)Cc1ccc(Br)cc1)C1CC1 ZINC000754517657 655868961 /nfs/dbraw/zinc/86/89/61/655868961.db2.gz LMHXHHFRCAHDPT-LRDDRELGSA-N 1 0 397.313 2.727 20 0 GFADRO CN1CC[C@H](NC(=S)NC2CC[NH+](C)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000754693170 655871534 /nfs/dbraw/zinc/87/15/34/655871534.db2.gz UAMUQXBEGOGFKJ-IRXDYDNUSA-N 1 0 384.952 2.783 20 0 GFADRO Cc1nc2ccc(C[NH2+]CC3CCN(S(=O)(=O)C(F)F)CC3)cc2s1 ZINC000755196427 655881172 /nfs/dbraw/zinc/88/11/72/655881172.db2.gz UYJMLYDAYIRAHJ-UHFFFAOYSA-N 1 0 389.493 2.959 20 0 GFADRO COC(=O)C[C@@H]1CCCC[N@@H+]1Cn1nc(Br)c(=O)c2ccccc21 ZINC000755733199 655887806 /nfs/dbraw/zinc/88/78/06/655887806.db2.gz FJMZTQCLTNLQKJ-LBPRGKRZSA-N 1 0 394.269 2.534 20 0 GFADRO COC(=O)N1CCC([NH2+]Cc2cn(-c3ccc(Cl)cc3Cl)nn2)CC1 ZINC000756015528 655893189 /nfs/dbraw/zinc/89/31/89/655893189.db2.gz NEQHUDAAJJFBMC-UHFFFAOYSA-N 1 0 384.267 2.895 20 0 GFADRO CC[NH+]1CCC(NC(=O)[C@@H]2CC(Br)=NN2c2ccc(C)cc2)CC1 ZINC000756082098 655894428 /nfs/dbraw/zinc/89/44/28/655894428.db2.gz VJSDZDWDLJLVSV-INIZCTEOSA-N 1 0 393.329 2.883 20 0 GFADRO Cc1ccc(N2N=C(Br)C[C@H]2C(=O)NCCCC[NH+](C)C)cc1 ZINC000756104975 655895052 /nfs/dbraw/zinc/89/50/52/655895052.db2.gz XHPDQNWOTYYGTP-HNNXBMFYSA-N 1 0 381.318 2.740 20 0 GFADRO CN1CC[NH+](CC2(C)CCN(C(=O)c3cc(Cl)nc(Cl)c3)CC2)CC1 ZINC000756365438 655898959 /nfs/dbraw/zinc/89/89/59/655898959.db2.gz AKGQDESKECXWCG-UHFFFAOYSA-N 1 0 385.339 2.878 20 0 GFADRO C[NH+](C)[C@@]1(CNC(=O)NC[C@H](O)c2cc3ccccc3s2)CCSC1 ZINC000757722456 655915635 /nfs/dbraw/zinc/91/56/35/655915635.db2.gz LXZJYIWBPOMFPH-KBXCAEBGSA-N 1 0 379.551 2.671 20 0 GFADRO O=C(NC1CC[NH+](Cc2ccncc2)CC1)c1scnc1Br ZINC000757862830 655917737 /nfs/dbraw/zinc/91/77/37/655917737.db2.gz LZIFYTNECWUGBC-UHFFFAOYSA-N 1 0 381.299 2.695 20 0 GFADRO O=c1n(CN2CCC[C@H]2Cc2ccc(Br)cc2)nc2n1CCCC2 ZINC000758306939 655929108 /nfs/dbraw/zinc/92/91/08/655929108.db2.gz ZYVMGOGVRKIURK-INIZCTEOSA-N 1 0 391.313 2.808 20 0 GFADRO CC[C@H](CO)[NH+]1CCN(C(=O)/C=C\c2ccc(C)cc2Br)CC1 ZINC000759634344 655959704 /nfs/dbraw/zinc/95/97/04/655959704.db2.gz VPNLKTLTIJKYGZ-MWWKQMNYSA-N 1 0 381.314 2.686 20 0 GFADRO C[C@@H](CNC(=O)Cc1cccc(I)c1)[NH+]1CCCCC1 ZINC000760420253 655979878 /nfs/dbraw/zinc/97/98/78/655979878.db2.gz KPJSZIYMCIDMNK-ZDUSSCGKSA-N 1 0 386.277 2.824 20 0 GFADRO C[NH+]1CCC(CNC(=S)NC[C@H](O)c2cccc(C(F)(F)F)c2)CC1 ZINC000760481688 655982366 /nfs/dbraw/zinc/98/23/66/655982366.db2.gz DCBIDNXFZJFCAE-HNNXBMFYSA-N 1 0 375.460 2.545 20 0 GFADRO CC[NH+]1CCC(N2C(=O)N[C@@](C)(c3cccc(Br)c3)C2=O)CC1 ZINC000760945335 655995089 /nfs/dbraw/zinc/99/50/89/655995089.db2.gz XWRSCUZYDLPDLM-KRWDZBQOSA-N 1 0 380.286 2.700 20 0 GFADRO CC[N@H+](CCN1C(=O)N[C@](C)(c2cccc(Br)c2)C1=O)C1CC1 ZINC000761205267 656003140 /nfs/dbraw/zinc/00/31/40/656003140.db2.gz JTJRCWFZTNHPIR-QGZVFWFLSA-N 1 0 380.286 2.700 20 0 GFADRO C[N@@H+]1CC[C@H](CNC(=S)NC[C@@H]2CCOC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000762464957 656043059 /nfs/dbraw/zinc/04/30/59/656043059.db2.gz WXIXEQFOJYQYTH-QEORTHHSSA-N 1 0 385.936 2.973 20 0 GFADRO CN(C)c1ncc(C[NH2+]C(C)(C)[C@H](O)c2ccc(Br)cc2)cn1 ZINC000762786210 656058656 /nfs/dbraw/zinc/05/86/56/656058656.db2.gz JEYSXWSKVJBMHC-OAHLLOKOSA-N 1 0 379.302 2.907 20 0 GFADRO COC(=O)[C@@H]1CN(Cc2nc3ccc(Br)cc3s2)CC[N@H+](C)C1 ZINC000840959503 661220175 /nfs/dbraw/zinc/22/01/75/661220175.db2.gz XBGYDQCIWOCJTM-NSHDSACASA-N 1 0 398.326 2.595 20 0 GFADRO CC(C)[C@H](C[NH+](C)C)NC(=O)c1ccnc(Cl)c1I ZINC000764364396 656109228 /nfs/dbraw/zinc/10/92/28/656109228.db2.gz XPORXYACPPPSQL-JTQLQIEISA-N 1 0 395.672 2.656 20 0 GFADRO Cc1nc(Br)sc1C(=O)Nc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000841023151 661228320 /nfs/dbraw/zinc/22/83/20/661228320.db2.gz KZRNTSVOEJXNIM-UHFFFAOYSA-N 1 0 396.314 2.613 20 0 GFADRO Cc1n[nH]c(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)c1Br ZINC000765806684 656152625 /nfs/dbraw/zinc/15/26/25/656152625.db2.gz DAXPCZOWAANTIA-SMDDNHRTSA-N 1 0 377.286 2.731 20 0 GFADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N2Cc3ccc(Br)cc3C2)C1 ZINC000765869792 656153890 /nfs/dbraw/zinc/15/38/90/656153890.db2.gz RAWIVMHGFVUMPF-QGZVFWFLSA-N 1 0 396.329 2.831 20 0 GFADRO [NH3+]CC[C@@H](NC(=O)Nc1ccc(N2CCSCC2)c(Cl)c1)C(F)F ZINC000841092933 661232198 /nfs/dbraw/zinc/23/21/98/661232198.db2.gz MSFMEDMCJRDBDL-GFCCVEGCSA-N 1 0 378.876 2.997 20 0 GFADRO [NH3+][C@H]1CCCO[C@@H]1C1CCN(Cc2nc3ccccn3c2Br)CC1 ZINC000841099779 661233218 /nfs/dbraw/zinc/23/32/18/661233218.db2.gz OUEDLDHWSSDBLG-WMLDXEAASA-N 1 0 393.329 2.815 20 0 GFADRO CS(=O)(=O)N1CCC([NH2+][C@@H](c2cccc(Cl)c2)c2ccccn2)CC1 ZINC000766600624 656177072 /nfs/dbraw/zinc/17/70/72/656177072.db2.gz OGAVLOOMUPNUKH-SFHVURJKSA-N 1 0 379.913 2.838 20 0 GFADRO CN(C(=O)C1SCCCS1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000841173202 661241447 /nfs/dbraw/zinc/24/14/47/661241447.db2.gz HOBZSAAQXCECIO-IRXDYDNUSA-N 1 0 385.643 2.978 20 0 GFADRO CCCN(CC[NH+](C)C)C(=O)c1cc(=O)c2cc(Br)ccc2o1 ZINC000841125850 661235662 /nfs/dbraw/zinc/23/56/62/661235662.db2.gz UDBDVLBLGFIWLZ-UHFFFAOYSA-N 1 0 381.270 2.969 20 0 GFADRO CC[NH2+]CCCNC(=O)Nc1cnc(Br)c(Br)c1 ZINC000841142565 661237749 /nfs/dbraw/zinc/23/77/49/661237749.db2.gz RTPGSFBQDUUMEW-UHFFFAOYSA-N 1 0 380.084 2.728 20 0 GFADRO C[NH+](C)[C@H](CNC(=S)NC1CCOCC1)c1cccc(C(F)(F)F)c1 ZINC000768787368 656251544 /nfs/dbraw/zinc/25/15/44/656251544.db2.gz ZVPIYROYFPYQGW-OAHLLOKOSA-N 1 0 375.460 2.951 20 0 GFADRO CSc1nc2ccc(NC(=O)C(=O)N(C)C3CCC([NH3+])CC3)cc2s1 ZINC000841189229 661242906 /nfs/dbraw/zinc/24/29/06/661242906.db2.gz RJHFKXDFWJNZRF-UHFFFAOYSA-N 1 0 378.523 2.685 20 0 GFADRO CCN(CC)C(=O)C[NH2+]Cc1cc(Br)cc(Br)c1N ZINC000769495126 656278173 /nfs/dbraw/zinc/27/81/73/656278173.db2.gz QISNKWANQGQITG-UHFFFAOYSA-N 1 0 393.123 2.752 20 0 GFADRO O=C(Nc1cccc(Cl)c1SC(F)F)C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000841220645 661245321 /nfs/dbraw/zinc/24/53/21/661245321.db2.gz RDXRSSDEPLOIRU-VIFPVBQESA-N 1 0 377.844 2.852 20 0 GFADRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1nccn2c(Br)cnc12 ZINC000769719649 656287745 /nfs/dbraw/zinc/28/77/45/656287745.db2.gz KHROMNGOSBYYGN-UPJWGTAASA-N 1 0 394.317 2.588 20 0 GFADRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1nccn2c(Br)cnc12 ZINC000769719651 656287797 /nfs/dbraw/zinc/28/77/97/656287797.db2.gz KHROMNGOSBYYGN-XQQFMLRXSA-N 1 0 394.317 2.588 20 0 GFADRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)Nc1cccc(Cl)c1SC(F)F ZINC000841231356 661246504 /nfs/dbraw/zinc/24/65/04/661246504.db2.gz ZZCPJSYAHBWHBJ-WPRPVWTQSA-N 1 0 377.844 2.707 20 0 GFADRO [NH3+]CC[C@@H]1CCCN(C(=O)C(=O)Nc2ccccc2SC(F)(F)F)C1 ZINC000841232403 661246792 /nfs/dbraw/zinc/24/67/92/661246792.db2.gz QPDBGLFIOBLCJC-NSHDSACASA-N 1 0 375.416 2.824 20 0 GFADRO Cc1ccc(/C=C\C(=O)N[C@H](C)CC[NH+]2CCN(C)CC2)c(Br)c1 ZINC000770173108 656310308 /nfs/dbraw/zinc/31/03/08/656310308.db2.gz LBFFHPNHWVLGEJ-MWWKQMNYSA-N 1 0 394.357 2.913 20 0 GFADRO CC(C)[NH+]1CCC(N2CCN(C(=S)NCCc3cccs3)CC2)CC1 ZINC000771119774 656340416 /nfs/dbraw/zinc/34/04/16/656340416.db2.gz RGYCGZRDULDICQ-UHFFFAOYSA-N 1 0 380.627 2.656 20 0 GFADRO [NH3+]CC[C@@H](NC(=O)NCCc1ccc(Br)cc1F)C(F)(F)F ZINC000841334442 661252909 /nfs/dbraw/zinc/25/29/09/661252909.db2.gz DHNLSHKZQGUVDJ-LLVKDONJSA-N 1 0 386.187 2.710 20 0 GFADRO COc1cccc2cc(C[NH2+]CCN(C)S(=O)(=O)c3cccs3)oc21 ZINC000771976815 656368838 /nfs/dbraw/zinc/36/88/38/656368838.db2.gz CTBJBIBPCYFADV-UHFFFAOYSA-N 1 0 380.491 2.913 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)c1cc(=O)c2cc(Br)ccc2o1)C1CC1 ZINC000841382369 661256619 /nfs/dbraw/zinc/25/66/19/661256619.db2.gz NUGXFTFEWRMZBO-CYBMUJFWSA-N 1 0 379.254 2.626 20 0 GFADRO CCNS(=O)(=O)CC[NH2+][C@H](C)c1sc(-c2ccc(OC)cc2)nc1C ZINC000772980644 656396262 /nfs/dbraw/zinc/39/62/62/656396262.db2.gz ZZYYFRWOWDUVJO-GFCCVEGCSA-N 1 0 383.539 2.717 20 0 GFADRO CCNS(=O)(=O)CC[NH2+][C@H]1CCc2c1cc(Br)cc2Cl ZINC000772978261 656396282 /nfs/dbraw/zinc/39/62/82/656396282.db2.gz MAXSNPGQRCGFLP-ZDUSSCGKSA-N 1 0 381.723 2.619 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCC[C@H](S(C)(=O)=O)C1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000773014777 656397159 /nfs/dbraw/zinc/39/71/59/656397159.db2.gz LCAQVJYAIXUCIF-LNSITVRQSA-N 1 0 395.493 2.689 20 0 GFADRO COc1ccc(CC[C@@H](C)[NH2+]C[C@@H](O)CS(=O)(=O)c2cccs2)cc1 ZINC000773091828 656399318 /nfs/dbraw/zinc/39/93/18/656399318.db2.gz KPAXAOLCJRMBSG-GDBMZVCRSA-N 1 0 383.535 2.502 20 0 GFADRO CC[C@H]([NH2+]CCOc1ccc(S(=O)(=O)C(F)(F)F)cc1)[C@@H]1CCOC1 ZINC000773133117 656400568 /nfs/dbraw/zinc/40/05/68/656400568.db2.gz QLWNJICYTQPLNX-DOMZBBRYSA-N 1 0 381.416 2.764 20 0 GFADRO C[C@H]([NH2+][C@@H]1CC[C@H]2SCCS[C@H]12)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000773134380 656400969 /nfs/dbraw/zinc/40/09/69/656400969.db2.gz IUKHGUCALSSBDM-WBQNTZJQSA-N 1 0 386.608 2.967 20 0 GFADRO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)NC1CC([NH+](C)C)C1 ZINC000773492871 656452412 /nfs/dbraw/zinc/45/24/12/656452412.db2.gz PWGPYTXRPYFYGR-UHFFFAOYSA-N 1 0 379.254 2.686 20 0 GFADRO C[NH+](C)[C@H](CNS(=O)(=O)c1cccc2scnc21)Cc1ccccc1 ZINC000841475130 661268662 /nfs/dbraw/zinc/26/86/62/661268662.db2.gz ZUOQZWHMRXWHBU-HNNXBMFYSA-N 1 0 375.519 2.748 20 0 GFADRO CC[C@@H]1C[N@H+](C)CCCN1C(=O)C[C@@](O)(c1nc(C)cs1)C(F)(F)F ZINC000774187732 656501128 /nfs/dbraw/zinc/50/11/28/656501128.db2.gz LLCJCOZAPYCMEQ-IUODEOHRSA-N 1 0 379.448 2.534 20 0 GFADRO O=C1c2ccccc2C(=O)N1CC[NH2+]C[C@H](O)c1ccc(Cl)cc1Cl ZINC000775016036 656586817 /nfs/dbraw/zinc/58/68/17/656586817.db2.gz MJXOUIKUUIZGPF-INIZCTEOSA-N 1 0 379.243 2.913 20 0 GFADRO COC1(C[NH2+]Cc2c(C)nn([C@@H]3CCS(=O)(=O)C3)c2Cl)CCCCC1 ZINC000775320390 656629775 /nfs/dbraw/zinc/62/97/75/656629775.db2.gz FLIRMXMALXCLGG-CQSZACIVSA-N 1 0 389.949 2.643 20 0 GFADRO Fc1ccc(N2CCN(CC[NH2+][C@@H]3CC[C@@H]4SCCS[C@H]34)CC2)cc1 ZINC000775361856 656632474 /nfs/dbraw/zinc/63/24/74/656632474.db2.gz DJDFMANHALVCPQ-CEXWTWQISA-N 1 0 381.586 2.917 20 0 GFADRO O=C1NC2(CCCCC2)C(=O)N1CCC[NH2+][C@@H]1CC[C@H]2SCCS[C@H]12 ZINC000775370846 656633198 /nfs/dbraw/zinc/63/31/98/656633198.db2.gz JMSFUPFQGQTNAZ-RBSFLKMASA-N 1 0 383.583 2.600 20 0 GFADRO O=S(=O)(c1ccc(C[NH2+][C@@H]2CC[C@@H]3SCCS[C@H]23)cc1)N1CCCC1 ZINC000775382221 656634448 /nfs/dbraw/zinc/63/44/48/656634448.db2.gz GNNJQVAXSLEXFX-FGTMMUONSA-N 1 0 398.619 2.940 20 0 GFADRO CC[C@@H](Cc1ccccc1Br)[N@H+](C)CC(=O)N1CCO[C@@H](C)C1 ZINC000775838907 656684931 /nfs/dbraw/zinc/68/49/31/656684931.db2.gz SFWVWCOLVDHIQO-HOCLYGCPSA-N 1 0 383.330 2.949 20 0 GFADRO C[NH+](C)CCOc1cccc(CNC(=O)c2scnc2Br)c1 ZINC000777797722 656835686 /nfs/dbraw/zinc/83/56/86/656835686.db2.gz YLKUGFIVEJGRKT-UHFFFAOYSA-N 1 0 384.299 2.776 20 0 GFADRO CC[NH+](CC)CCO[C@@H]1CCN(S(=O)(=O)c2c(Cl)ccnc2Cl)C1 ZINC000778015806 656853093 /nfs/dbraw/zinc/85/30/93/656853093.db2.gz YUQBNHYCYKGJKX-GFCCVEGCSA-N 1 0 396.340 2.510 20 0 GFADRO Cn1cc([C@H](O)C[NH2+][C@@H](c2ccc(Br)cc2)[C@@H]2CCCO2)cn1 ZINC000779071862 656898675 /nfs/dbraw/zinc/89/86/75/656898675.db2.gz GJJILAVKZBYSBB-IKGGRYGDSA-N 1 0 380.286 2.726 20 0 GFADRO CC(C)[C@H]([NH2+]CC1CCN(S(=O)(=O)C(F)F)CC1)c1ccc(F)cn1 ZINC000779407731 656924110 /nfs/dbraw/zinc/92/41/10/656924110.db2.gz AYJJDPPZPIRAAM-HNNXBMFYSA-N 1 0 379.448 2.772 20 0 GFADRO C[C@H](CNS(=O)(=O)c1cc(Br)c(F)cc1F)[NH+]1CCCCC1 ZINC000780719042 657025908 /nfs/dbraw/zinc/02/59/08/657025908.db2.gz KZWRZKIQLLRSKC-SNVBAGLBSA-N 1 0 397.285 2.880 20 0 GFADRO CSCCCCCCNC(=S)N1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000782208699 657115415 /nfs/dbraw/zinc/11/54/15/657115415.db2.gz WTPZRHSEVNTDIB-ROUUACIJSA-N 1 0 386.675 2.742 20 0 GFADRO C[N@@H+]1CCCC[C@H]1CCOC(=O)c1cc2c(cc1Br)NC(=O)CO2 ZINC000782405371 657139798 /nfs/dbraw/zinc/13/97/98/657139798.db2.gz QFEJKOCTPIPUID-NSHDSACASA-N 1 0 397.269 2.811 20 0 GFADRO O=S(=O)(C(F)F)N1CCC(C[NH2+]CCCCOc2ccccc2)CC1 ZINC000783624760 657248124 /nfs/dbraw/zinc/24/81/24/657248124.db2.gz DPHVAGSBYJSRGI-UHFFFAOYSA-N 1 0 376.469 2.700 20 0 GFADRO CSc1nnc(CNC(=O)/C=C/c2ccc(OCC[NH+](C)C)cc2)s1 ZINC000783874084 657267625 /nfs/dbraw/zinc/26/76/25/657267625.db2.gz IMSMPECLFAIKQR-RMKNXTFCSA-N 1 0 378.523 2.530 20 0 GFADRO Cn1cncc1[C@@H]1CC(=O)N(C[NH2+]C(C)(C)c2ccc(Br)cc2)C1 ZINC000783975155 657278761 /nfs/dbraw/zinc/27/87/61/657278761.db2.gz KAIIICPAAPXZLN-CYBMUJFWSA-N 1 0 391.313 2.981 20 0 GFADRO Brc1nnc(-c2ccc(N3CC[C@H](C[NH+]4CCOCC4)C3)cc2)o1 ZINC000784600827 657318486 /nfs/dbraw/zinc/31/84/86/657318486.db2.gz XJBSHKMBHJGJDT-CYBMUJFWSA-N 1 0 393.285 2.658 20 0 GFADRO Cn1nc(Br)cc1C[NH2+]CCCC(=O)N1CCc2ccccc21 ZINC000785469827 657366417 /nfs/dbraw/zinc/36/64/17/657366417.db2.gz LQEZXESHBUZERE-UHFFFAOYSA-N 1 0 377.286 2.642 20 0 GFADRO Cc1cc(Br)ncc1NC(=O)N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC000785851334 657390396 /nfs/dbraw/zinc/39/03/96/657390396.db2.gz KJVPKYPISIDMBT-CYBMUJFWSA-N 1 0 397.317 2.870 20 0 GFADRO O[C@H](C[NH+]1CCC(Oc2cnccn2)CC1)c1ccc(Br)cc1 ZINC000785901212 657393619 /nfs/dbraw/zinc/39/36/19/657393619.db2.gz ZSIVKADLVKUYLN-MRXNPFEDSA-N 1 0 378.270 2.816 20 0 GFADRO COc1cc(C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)cnc1Br ZINC000786202761 657413831 /nfs/dbraw/zinc/41/38/31/657413831.db2.gz PRYSUCOBVXRPSV-UHFFFAOYSA-N 1 0 394.273 2.568 20 0 GFADRO O[C@@H](CN1CCCC1)C[N@H+](Cc1cccc(Br)c1)C1CCOCC1 ZINC000786440140 657429114 /nfs/dbraw/zinc/42/91/14/657429114.db2.gz GKWDHKNICAHWTP-IBGZPJMESA-N 1 0 397.357 2.887 20 0 GFADRO COc1cc(C[NH2+]Cc2cccc(C)c2Br)ccc1OCC(N)=O ZINC000786824838 657470748 /nfs/dbraw/zinc/47/07/48/657470748.db2.gz YBFDEKIIDADQOA-UHFFFAOYSA-N 1 0 393.281 2.920 20 0 GFADRO O=C(OCC[NH+]1CCCCC1)c1ccnc(Cl)c1I ZINC000786893782 657483399 /nfs/dbraw/zinc/48/33/99/657483399.db2.gz ZRSCXLDWFYTQTL-UHFFFAOYSA-N 1 0 394.640 2.982 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)c1ccnc(Cl)c1I ZINC000788154246 657660550 /nfs/dbraw/zinc/66/05/50/657660550.db2.gz LAOOBMQOBDSNHB-NXEZZACHSA-N 1 0 393.656 2.552 20 0 GFADRO COc1cc(C(=O)N2CCC[N@@H+](C3CCCC3)CC2)cnc1Br ZINC000788223921 657675995 /nfs/dbraw/zinc/67/59/95/657675995.db2.gz PZIXTZWVMBRVKK-UHFFFAOYSA-N 1 0 382.302 2.943 20 0 GFADRO COc1cc(C(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)cnc1Br ZINC000788222448 657676403 /nfs/dbraw/zinc/67/64/03/657676403.db2.gz IWTMAJVKIDDKKK-AWEZNQCLSA-N 1 0 382.302 2.943 20 0 GFADRO CC[NH+](CC)CCOc1ccccc1CNC(=O)c1cc(Br)n[nH]1 ZINC000788280888 657687554 /nfs/dbraw/zinc/68/75/54/657687554.db2.gz JWYVWDRPTSXKNY-UHFFFAOYSA-N 1 0 395.301 2.823 20 0 GFADRO O=C(Nc1cccc(C[NH+]2CCSCC2)c1)c1cc(Br)[nH]n1 ZINC000788294044 657691892 /nfs/dbraw/zinc/69/18/92/657691892.db2.gz RLTXCGNQEKZDOA-UHFFFAOYSA-N 1 0 381.299 2.973 20 0 GFADRO CC(C)[C@H](C[NH2+][C@@H](C)c1nc(Br)ccc1F)N1CCN(C)CC1 ZINC000788520651 657736742 /nfs/dbraw/zinc/73/67/42/657736742.db2.gz SQBVKDQGAQIORC-ZFWWWQNUSA-N 1 0 387.341 2.906 20 0 GFADRO CN(c1ccc(Br)nc1)S(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000788636032 657756968 /nfs/dbraw/zinc/75/69/68/657756968.db2.gz KQKFVSWYJSFCPX-UHFFFAOYSA-N 1 0 384.299 2.731 20 0 GFADRO CSC1(C(=O)OCC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)CC1 ZINC000789207517 657828937 /nfs/dbraw/zinc/82/89/37/657828937.db2.gz PUCOZSPFFYOCMT-UHFFFAOYSA-N 1 0 380.535 2.613 20 0 GFADRO CCc1n[nH]c(C(=O)N(CCc2ccccc2)CC[NH+](C)C)c1Br ZINC000789899435 657899106 /nfs/dbraw/zinc/89/91/06/657899106.db2.gz ZLJAMPXKBPMPMA-UHFFFAOYSA-N 1 0 393.329 2.981 20 0 GFADRO COC(=O)c1ccc(CNC(=O)c2ccc3c[nH+]cn3c2)c(Br)c1 ZINC000790986032 658051656 /nfs/dbraw/zinc/05/16/56/658051656.db2.gz PUSRKCWLWFXCHW-UHFFFAOYSA-N 1 0 388.221 2.813 20 0 GFADRO COc1ccc(Cl)cc1NC(=S)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000792680879 658309194 /nfs/dbraw/zinc/30/91/94/658309194.db2.gz MZGAHDGRUOXPAA-CQSZACIVSA-N 1 0 382.961 2.804 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)CN1CC[C@]2(C)[C@H](C1)C2(Cl)Cl)c1ccccc1 ZINC000792911140 658329698 /nfs/dbraw/zinc/32/96/98/658329698.db2.gz QGRHLGQUYDARKT-SOLBZPMBSA-N 1 0 384.351 2.921 20 0 GFADRO O=C(C[NH2+][C@H](c1cncc(Br)c1)C1CC1)NCc1ccccn1 ZINC000792933998 658331255 /nfs/dbraw/zinc/33/12/55/658331255.db2.gz JPOPIESKTWZPLX-KRWDZBQOSA-N 1 0 375.270 2.596 20 0 GFADRO COC(=O)N1CC([NH2+]Cc2ccc(OC(F)(F)F)c(Br)c2)C1 ZINC000793019871 658348395 /nfs/dbraw/zinc/34/83/95/658348395.db2.gz UKOWEGAZPXJQGV-UHFFFAOYSA-N 1 0 383.164 2.888 20 0 GFADRO COC(=O)c1ccc(C[NH2+]CCCNc2ncccn2)c(Br)c1 ZINC000793586866 658411439 /nfs/dbraw/zinc/41/14/39/658411439.db2.gz HMAZSYMWQWQICP-UHFFFAOYSA-N 1 0 379.258 2.618 20 0 GFADRO C[C@H](CNC(=O)C(=O)NCCc1cc(Cl)cc(Cl)c1)[NH+]1CCCCC1 ZINC000793720255 658430290 /nfs/dbraw/zinc/43/02/90/658430290.db2.gz QRUKYWRGJNLGQB-CYBMUJFWSA-N 1 0 386.323 2.643 20 0 GFADRO Cc1cc(C)c(S(N)(=O)=O)cc1[C@@H](C)[NH2+]C[C@H](O)c1ccc(Cl)cc1 ZINC000794793480 658615023 /nfs/dbraw/zinc/61/50/23/658615023.db2.gz ORFQZJZUILKPES-DYVFJYSZSA-N 1 0 382.913 2.988 20 0 GFADRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1CN1Cc2c(cccc2Br)C1=O ZINC000795708121 658843451 /nfs/dbraw/zinc/84/34/51/658843451.db2.gz RITNXTDYWMCWFY-KBPBESRZSA-N 1 0 378.314 2.921 20 0 GFADRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1Cn1c2ccc(Br)cc2oc1=O ZINC000795707643 658843548 /nfs/dbraw/zinc/84/35/48/658843548.db2.gz OHVRPAYJZKABFY-TZMCWYRMSA-N 1 0 380.286 2.873 20 0 GFADRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1Cn1nnn(-c2ccc(Cl)cc2)c1=S ZINC000795709820 658844000 /nfs/dbraw/zinc/84/40/00/658844000.db2.gz ZWPRCLCIVBZYKL-CZUORRHYSA-N 1 0 378.933 2.968 20 0 GFADRO C[C@](CO)([NH2+]CC(=O)Nc1ccc(O)cc1)c1ccc(Br)cc1 ZINC000796277415 658910126 /nfs/dbraw/zinc/91/01/26/658910126.db2.gz HWMNYFVCZWRGMD-QGZVFWFLSA-N 1 0 379.254 2.591 20 0 GFADRO Cc1cc(Br)cc(C[NH2+]C[C@H]2CCCC[C@H]2NS(C)(=O)=O)c1 ZINC000796492846 658919554 /nfs/dbraw/zinc/91/95/54/658919554.db2.gz YTRCGHDEWPTVIZ-GDBMZVCRSA-N 1 0 389.359 2.955 20 0 GFADRO CC(C)N1CCO[C@H](C(=[NH2+])NOCc2c(F)ccc(Br)c2F)C1 ZINC000797846351 659059879 /nfs/dbraw/zinc/05/98/79/659059879.db2.gz XIROBVANIVPCQD-ZDUSSCGKSA-N 1 0 392.244 2.835 20 0 GFADRO C[C@]1(CNS(=O)(=O)c2cncc(Cl)c2)CC[N@H+](Cc2ccccc2)C1 ZINC000798458018 659108366 /nfs/dbraw/zinc/10/83/66/659108366.db2.gz ITZGRUQUOJMJOR-GOSISDBHSA-N 1 0 379.913 2.926 20 0 GFADRO C[C@H]([NH2+]CCNS(=O)(=O)c1ccc(F)cc1F)c1ccc(Cl)nc1 ZINC000799726688 659216876 /nfs/dbraw/zinc/21/68/76/659216876.db2.gz RGWJGNYQWDPNES-JTQLQIEISA-N 1 0 375.828 2.642 20 0 GFADRO Cn1ncc(C(=O)NCC[NH+]2CCC3(CCCCC3)CC2)c1Br ZINC000799741914 659218822 /nfs/dbraw/zinc/21/88/22/659218822.db2.gz ZMZWJGLTXTUAGT-UHFFFAOYSA-N 1 0 383.334 2.959 20 0 GFADRO C[C@@H](CNC(=O)NC[C@H](O)c1cccc(Br)c1)C[NH+]1CCCCC1 ZINC000799939296 659247858 /nfs/dbraw/zinc/24/78/58/659247858.db2.gz LBTCDIMOUOQPHX-YOEHRIQHSA-N 1 0 398.345 2.904 20 0 GFADRO O=C(OCCC[NH+]1CCCC1)c1ccc2ncc(I)n2c1 ZINC000800178119 659286028 /nfs/dbraw/zinc/28/60/28/659286028.db2.gz URNTWVRDEKSPIW-UHFFFAOYSA-N 1 0 399.232 2.582 20 0 GFADRO O=S(=O)(CC[NH2+]Cc1cc(-n2ccnc2)cs1)CCc1ccccc1 ZINC000800310958 659300111 /nfs/dbraw/zinc/30/01/11/659300111.db2.gz BCUKONNUVHPCMY-UHFFFAOYSA-N 1 0 375.519 2.681 20 0 GFADRO C[C@H]1CCC[N@@H+]1CCNC(=O)C1(c2ccc(I)cc2)CC1 ZINC000800694357 659327180 /nfs/dbraw/zinc/32/71/80/659327180.db2.gz HMTVEIVFIGLLGU-ZDUSSCGKSA-N 1 0 398.288 2.923 20 0 GFADRO Cn1nc(Br)cc1C[NH2+][C@H]1CCCN(C(=O)Cc2ccccc2)C1 ZINC000800900776 659345256 /nfs/dbraw/zinc/34/52/56/659345256.db2.gz KAXSIMOBSRWDDB-HNNXBMFYSA-N 1 0 391.313 2.506 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2cc3c(cc2Cl)CCC3=O)[C@@H](C)C1 ZINC000800917962 659347945 /nfs/dbraw/zinc/34/79/45/659347945.db2.gz VESUWYVCZMXNLZ-BLLLJJGKSA-N 1 0 384.929 2.820 20 0 GFADRO C[C@H](C1CC[NH+](C)CC1)N(C)S(=O)(=O)c1cc2c(cc1Cl)CCC2=O ZINC000800929259 659351618 /nfs/dbraw/zinc/35/16/18/659351618.db2.gz AWAOCTFFSGBFTK-GFCCVEGCSA-N 1 0 384.929 2.820 20 0 GFADRO CC(C)(C)OC(=O)N1CCN([C@H](C[NH2+][C@@H]2CCSC2)C(F)(F)F)CC1 ZINC000800992411 659362327 /nfs/dbraw/zinc/36/23/27/659362327.db2.gz IPGPUSIZFPFKIK-CHWSQXEVSA-N 1 0 383.480 2.565 20 0 GFADRO Cc1nn(C)c(Br)c1C(=O)N[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000801099590 659368662 /nfs/dbraw/zinc/36/86/62/659368662.db2.gz VVFATMKIZDGWBG-WFASDCNBSA-N 1 0 391.313 2.884 20 0 GFADRO O=C(COC(=O)C1CC[NH+](C2CC2)CC1)Cc1ccccc1Br ZINC000801874836 659432385 /nfs/dbraw/zinc/43/23/85/659432385.db2.gz KRHFLHKJDLXRAY-UHFFFAOYSA-N 1 0 380.282 2.978 20 0 GFADRO CC[C@H](C[NH+]1CCCC1)NC(=O)NC[C@@H](O)c1cccc(Br)c1 ZINC000802241197 659460601 /nfs/dbraw/zinc/46/06/01/659460601.db2.gz KJQKODFPIUGKSL-HZPDHXFCSA-N 1 0 384.318 2.656 20 0 GFADRO NC(=O)C1=NO[C@H](C[NH2+]Cc2ccc(-c3ccccc3Br)cc2)C1 ZINC000802649874 659491991 /nfs/dbraw/zinc/49/19/91/659491991.db2.gz QUNZOHUCDMNBQC-AWEZNQCLSA-N 1 0 388.265 2.836 20 0 GFADRO O=C1c2cccc(Br)c2CN1CN1CCC[C@H]1C[NH+]1CCCC1 ZINC000802731149 659499288 /nfs/dbraw/zinc/49/92/88/659499288.db2.gz HENFXDKTILKKAC-AWEZNQCLSA-N 1 0 378.314 2.923 20 0 GFADRO C[N@@H+]1CCCC[C@H]1CCC(=O)OCC(=O)Nc1ccc(Br)cn1 ZINC000803859337 659611274 /nfs/dbraw/zinc/61/12/74/659611274.db2.gz YTVROIBQTKBERN-ZDUSSCGKSA-N 1 0 384.274 2.590 20 0 GFADRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)[C@@H]1Cc2cc(Br)ccc2O1 ZINC000804527451 659653177 /nfs/dbraw/zinc/65/31/77/659653177.db2.gz PPFXKMBEZDBQKA-VMGRFDJRSA-N 1 0 379.298 2.838 20 0 GFADRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F ZINC000805111176 659741511 /nfs/dbraw/zinc/74/15/11/659741511.db2.gz SLUAFBUZDRNPJL-RKDXNWHRSA-N 1 0 384.370 2.629 20 0 GFADRO O=S(=O)(NCC[NH2+][C@H]1CCc2nc(Cl)ccc21)c1ccc(F)cc1F ZINC000806164556 659826434 /nfs/dbraw/zinc/82/64/34/659826434.db2.gz WQZSRGQRCVOBID-ZDUSSCGKSA-N 1 0 387.839 2.569 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CNC(=S)NC[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC000806594043 659836649 /nfs/dbraw/zinc/83/66/49/659836649.db2.gz MKFTXCADKHUPKY-HUUCEWRRSA-N 1 0 375.460 2.687 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)c1cnc(C2OCCO2)s1)c1ccc(Cl)cc1 ZINC000806986778 659845805 /nfs/dbraw/zinc/84/58/05/659845805.db2.gz MUFVKZKMXDPIRA-ZDUSSCGKSA-N 1 0 381.885 2.875 20 0 GFADRO C[NH+](C)CCN(C(=O)c1cnn(-c2ccccc2)c1Br)C1CC1 ZINC000807265387 659850662 /nfs/dbraw/zinc/85/06/62/659850662.db2.gz BOKUORYMFUIAKK-UHFFFAOYSA-N 1 0 377.286 2.801 20 0 GFADRO O=C(/C=C(/c1ccc(Cl)cc1)C(F)(F)F)N[C@@H](CO)C[NH+]1CCCC1 ZINC000808225217 659882944 /nfs/dbraw/zinc/88/29/44/659882944.db2.gz YTEIRXUIIYKVKD-WJQTUHTMSA-N 1 0 376.806 2.859 20 0 GFADRO CCN(C[C@@H]1CC[N@H+](Cc2cnc(C3OCCO3)s2)C1)CC(F)(F)F ZINC000809588219 659933263 /nfs/dbraw/zinc/93/32/63/659933263.db2.gz VZMPRPASKGVZDH-LBPRGKRZSA-N 1 0 379.448 2.895 20 0 GFADRO OC[C@H]([NH2+]C[C@@H](O)COc1ccc(Cl)cc1Br)C1CCCC1 ZINC000810115930 659962910 /nfs/dbraw/zinc/96/29/10/659962910.db2.gz RFBYSRCYHYFHCQ-HIFRSBDPSA-N 1 0 392.721 2.983 20 0 GFADRO CCC[N@H+](CC)C[C@H](C)NS(=O)(=O)c1sc(C(=O)OC)c(Cl)c1C ZINC000810120711 659963250 /nfs/dbraw/zinc/96/32/50/659963250.db2.gz ODXHKEOTEKGHJU-JTQLQIEISA-N 1 0 396.962 2.895 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)c2c(Br)nnn2C)CC1 ZINC000810567922 659977912 /nfs/dbraw/zinc/97/79/12/659977912.db2.gz QRVLXUZMGMJUQC-CYBMUJFWSA-N 1 0 398.349 2.694 20 0 GFADRO CC(C)(C)OC(=O)NC[C@](C)(O)C[NH2+]Cc1cc(Br)ccc1F ZINC000811812136 660015879 /nfs/dbraw/zinc/01/58/79/660015879.db2.gz NHDAUMAGVDHNJI-MRXNPFEDSA-N 1 0 391.281 2.954 20 0 GFADRO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)/C=C/c1ccc(I)o1 ZINC000811936387 660018034 /nfs/dbraw/zinc/01/80/34/660018034.db2.gz APTALTWUCOZPLN-LXSSAFMLSA-N 1 0 376.238 2.742 20 0 GFADRO CSC1(CNC(=O)c2ccc(-n3cc[nH]c3=S)cc2)CC[NH+](C)CC1 ZINC000812254992 660021820 /nfs/dbraw/zinc/02/18/20/660021820.db2.gz BXHXUOMWBQEOSE-UHFFFAOYSA-N 1 0 376.551 2.718 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2nc(C3CC3)ncc2Br)[C@@H](C)C1 ZINC000813814594 660065433 /nfs/dbraw/zinc/06/54/33/660065433.db2.gz SALIBJIUKYJVIC-FZMZJTMJSA-N 1 0 381.318 2.919 20 0 GFADRO Cc1c(Cl)cccc1NC(=S)NCC(=O)NCC[NH+]1CCCCCC1 ZINC000814207394 660074392 /nfs/dbraw/zinc/07/43/92/660074392.db2.gz YAUZODJHDUYWHX-UHFFFAOYSA-N 1 0 382.961 2.927 20 0 GFADRO CNC(=O)[C@H](C)C[N@H+](C)C[C@@](C)(O)c1ccc(Br)cc1Cl ZINC000815056839 660107983 /nfs/dbraw/zinc/10/79/83/660107983.db2.gz BQJGYCQZCHOYJO-MEBBXXQBSA-N 1 0 377.710 2.624 20 0 GFADRO CN(Cc1ccnc(Br)c1)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000815097021 660111812 /nfs/dbraw/zinc/11/18/12/660111812.db2.gz ZLBGKQKMTUOBPT-LJQANCHMSA-N 1 0 390.325 2.913 20 0 GFADRO O=C(Nc1cnn(-c2cc[nH+]cc2)c1)c1cn2c(Br)cnc2s1 ZINC000815292276 660119957 /nfs/dbraw/zinc/11/99/57/660119957.db2.gz CANPMGDUDNNLOI-UHFFFAOYSA-N 1 0 389.238 2.991 20 0 GFADRO C[N@@H+]1C[C@H]2CCN(C(=O)C(=O)Nc3cccc(Cl)c3SC(F)F)[C@H]2C1 ZINC000815705215 660129042 /nfs/dbraw/zinc/12/90/42/660129042.db2.gz CHYNZFUCQIIWSZ-SKDRFNHKSA-N 1 0 389.855 2.756 20 0 GFADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cn2c(Br)cnc2s1 ZINC000815768491 660130664 /nfs/dbraw/zinc/13/06/64/660130664.db2.gz ZWXAMGIIWINHDR-MNOVXSKESA-N 1 0 383.315 2.857 20 0 GFADRO Cn1c(=O)oc2cc(C[NH2+][C@@](C)(CO)c3ccc(Br)cc3)ccc21 ZINC000816607833 660162540 /nfs/dbraw/zinc/16/25/40/660162540.db2.gz HFLDUWREXRJQRQ-SFHVURJKSA-N 1 0 391.265 2.891 20 0 GFADRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)c1cc(S(C)(=O)=O)ncc1Cl ZINC000816879911 660171260 /nfs/dbraw/zinc/17/12/60/660171260.db2.gz YTNZTHOSUROLNB-ZDUSSCGKSA-N 1 0 387.933 2.523 20 0 GFADRO C[NH+](C)CCCOC1CCN(C(=O)c2nc(F)ccc2Br)CC1 ZINC000816943485 660173777 /nfs/dbraw/zinc/17/37/77/660173777.db2.gz AQEXAHYKXMMBRG-UHFFFAOYSA-N 1 0 388.281 2.556 20 0 GFADRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)NCCc3ccc(Br)cc3F)C[C@H]21 ZINC000841794858 661313668 /nfs/dbraw/zinc/31/36/68/661313668.db2.gz LJMNFPOQAHVRHB-JGGQBBKZSA-N 1 0 384.293 2.900 20 0 GFADRO [NH3+]C1(CNC(=O)NC[C@H](O)c2ccccc2Br)CCCCCC1 ZINC000841917573 661317745 /nfs/dbraw/zinc/31/77/45/661317745.db2.gz PFTYJTSFIGTRBG-HNNXBMFYSA-N 1 0 384.318 2.833 20 0 GFADRO CN(C[C@H](O)c1ccccc1Br)C(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000841947739 661318158 /nfs/dbraw/zinc/31/81/58/661318158.db2.gz HNQYADXHMQBUCE-MAZHCROVSA-N 1 0 384.318 2.641 20 0 GFADRO O=C(NCc1ccc2c(c1)C[NH2+]C2)NC[C@H](O)c1ccccc1Br ZINC000841980208 661318944 /nfs/dbraw/zinc/31/89/44/661318944.db2.gz JQDHLVTVEVWFFW-KRWDZBQOSA-N 1 0 390.281 2.585 20 0 GFADRO C[NH2+]C[C@H](C)c1noc([C@@H]2CCN(c3cccc(Br)c3)C2=O)n1 ZINC000842578779 661344129 /nfs/dbraw/zinc/34/41/29/661344129.db2.gz HMBOAYDTWJDVIS-GWCFXTLKSA-N 1 0 379.258 2.676 20 0 GFADRO C[NH2+]C[C@H](C)c1noc(Cc2csc(NC(=O)Cc3cccs3)n2)n1 ZINC000842581190 661344332 /nfs/dbraw/zinc/34/43/32/661344332.db2.gz WSYPQCBAHZAWMT-JTQLQIEISA-N 1 0 377.495 2.683 20 0 GFADRO C[NH2+]C[C@@H](C)c1noc(-c2nnn(-c3cccc(Br)c3)c2C)n1 ZINC000842583888 661344375 /nfs/dbraw/zinc/34/43/75/661344375.db2.gz XBSAOTVHEWFECW-SECBINFHSA-N 1 0 377.246 2.711 20 0 GFADRO O=C1C[C@H](c2nc([C@@H]3CCC[NH2+]C3)no2)CN1c1ccccc1Br ZINC000842665492 661347992 /nfs/dbraw/zinc/34/79/92/661347992.db2.gz PCJXPNVZYUQPHB-NEPJUHHUSA-N 1 0 391.269 2.820 20 0 GFADRO [NH3+]CCc1ccc(CNS(=O)(=O)c2ccc(C(F)(F)F)c(F)c2)cc1 ZINC000842701971 661349955 /nfs/dbraw/zinc/34/99/55/661349955.db2.gz CWXZFVSKZLVRHV-UHFFFAOYSA-N 1 0 376.375 2.824 20 0 GFADRO COc1ccc2nc(Cl)ccc2c1S(=O)(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000842725403 661351246 /nfs/dbraw/zinc/35/12/46/661351246.db2.gz WLTOWXSMQNPMEH-YPMHNXCESA-N 1 0 383.901 2.693 20 0 GFADRO CCCN(C1CC[NH2+]CC1)S(=O)(=O)c1sc(C(=O)OC)c(Cl)c1C ZINC000842741108 661351882 /nfs/dbraw/zinc/35/18/82/661351882.db2.gz DKWREYNQRVDAFC-UHFFFAOYSA-N 1 0 394.946 2.649 20 0 GFADRO CC[C@H]1CN(S(=O)(=O)c2c(OC)ccc3nc(Cl)ccc32)CC[C@H]1[NH3+] ZINC000842794371 661354710 /nfs/dbraw/zinc/35/47/10/661354710.db2.gz ZTYIPZRRWFYTMY-WCQYABFASA-N 1 0 383.901 2.645 20 0 GFADRO CC[C@H]1CN(S(=O)(=O)c2cc(C(=O)OC)c(Cl)cc2Cl)CC[C@H]1[NH3+] ZINC000842797010 661354971 /nfs/dbraw/zinc/35/49/71/661354971.db2.gz DCQIIBHZYZEMKW-TVQRCGJNSA-N 1 0 395.308 2.528 20 0 GFADRO O=S(=O)(/C=C/c1cccc(Br)c1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000842850363 661357031 /nfs/dbraw/zinc/35/70/31/661357031.db2.gz RANQJHYSPAVDOT-ZWIJEDICSA-N 1 0 385.327 2.825 20 0 GFADRO C[C@H]([NH2+]C[C@H](O)COc1ccc(Br)cc1)[C@H](O)c1ccccc1 ZINC000843063086 661365800 /nfs/dbraw/zinc/36/58/00/661365800.db2.gz RYSPORKZVAGRFX-OWQGQXMQSA-N 1 0 380.282 2.901 20 0 GFADRO O[C@@H](C[NH2+]C[C@@H](O)c1ccccc1Br)COc1cccc(F)c1 ZINC000843065934 661366021 /nfs/dbraw/zinc/36/60/21/661366021.db2.gz NJAWYNBFUROJGA-SUMWQHHRSA-N 1 0 384.245 2.651 20 0 GFADRO O[C@@H](C[NH2+]C[C@@H](O)c1cccc(C(F)(F)F)c1)COCc1cccs1 ZINC000843072349 661366428 /nfs/dbraw/zinc/36/64/28/661366428.db2.gz GZMZAXMFMFMPTP-GOEBONIOSA-N 1 0 375.412 2.968 20 0 GFADRO CC(C)(C)OC(=O)NC[C@](C)(O)C[NH2+]C[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000843079884 661366727 /nfs/dbraw/zinc/36/67/27/661366727.db2.gz FHAOMTJZBDKBJT-RHSMWYFYSA-N 1 0 393.311 2.892 20 0 GFADRO CC(C)(C)OC(=O)NCC[C@H](O)C[NH2+]C[C@@H](O)c1c(Cl)cccc1Cl ZINC000843084589 661366993 /nfs/dbraw/zinc/36/69/93/661366993.db2.gz QYMCCIMFNMQTRK-SMDDNHRTSA-N 1 0 393.311 2.892 20 0 GFADRO Cc1cccc([C@H](O)C[NH2+]C[C@@H](O)COc2ccc(Br)cc2)c1 ZINC000843087108 661367142 /nfs/dbraw/zinc/36/71/42/661367142.db2.gz IZAILKUMCXWAKO-SJLPKXTDSA-N 1 0 380.282 2.820 20 0 GFADRO C[C@H](C[C@@H](O)c1ccco1)[NH2+]C[C@H](O)COc1ccc(Br)cc1 ZINC000843098625 661367927 /nfs/dbraw/zinc/36/79/27/661367927.db2.gz ABGPZNVEKFAWNH-IVMMDQJWSA-N 1 0 384.270 2.884 20 0 GFADRO Cc1ccc([C@H](O)C[NH2+]C[C@@H](O)COc2ccc(Br)cc2)cc1 ZINC000843112918 661368937 /nfs/dbraw/zinc/36/89/37/661368937.db2.gz XJRIOEIITAWSEM-SJLPKXTDSA-N 1 0 380.282 2.820 20 0 GFADRO OC[C@@H](C[NH2+]C[C@H](O)c1ccccc1Br)Cc1ccncc1Cl ZINC000843113066 661368945 /nfs/dbraw/zinc/36/89/45/661368945.db2.gz KWGKIYFIVQMVJK-PXAZEXFGSA-N 1 0 399.716 2.972 20 0 GFADRO OCC[C@H](Cc1ccccc1)[NH2+]C[C@@H](O)COc1ccc(Br)cc1 ZINC000843115930 661369389 /nfs/dbraw/zinc/36/93/89/661369389.db2.gz USWRZIKVBWTHHH-QZTJIDSGSA-N 1 0 394.309 2.772 20 0 GFADRO OCC1([C@H]([NH2+]C[C@H](O)c2cccc(Br)c2)[C@H]2CCCO2)CCC1 ZINC000843118422 661369863 /nfs/dbraw/zinc/36/98/63/661369863.db2.gz ZDARFUVOQCVRJI-GVDBMIGSSA-N 1 0 384.314 2.782 20 0 GFADRO Cc1cc(COc2ccc(-c3nc(CC[NH3+])no3)cc2Br)no1 ZINC000843130733 661370320 /nfs/dbraw/zinc/37/03/20/661370320.db2.gz IDJCBHKLEFSUMY-UHFFFAOYSA-N 1 0 379.214 2.876 20 0 GFADRO [NH3+]CCc1noc(CSCc2nc(=O)c3c4c(sc3[nH]2)CCCC4)n1 ZINC000843130879 661370327 /nfs/dbraw/zinc/37/03/27/661370327.db2.gz TYYLASLUWXWJFL-UHFFFAOYSA-N 1 0 377.495 2.593 20 0 GFADRO CCCc1c(-c2nc(CC[NH3+])no2)nnn1Cc1cccc(Br)c1 ZINC000843132180 661370332 /nfs/dbraw/zinc/37/03/32/661370332.db2.gz LTYRDOKSEGPQDG-UHFFFAOYSA-N 1 0 391.273 2.593 20 0 GFADRO C[C@H](Cc1nc(CS(=O)(=O)c2ccc(Cl)cc2)no1)C1CC[NH2+]CC1 ZINC000843198354 661371798 /nfs/dbraw/zinc/37/17/98/661371798.db2.gz WQJJTAWOGGCNGC-GFCCVEGCSA-N 1 0 383.901 2.875 20 0 GFADRO F[C@]1(c2nc(Cc3cc(Br)c4c(c3)OCCCO4)no2)CC[NH2+]C1 ZINC000843203724 661372427 /nfs/dbraw/zinc/37/24/27/661372427.db2.gz XESGNSDPQOMRDC-MRXNPFEDSA-N 1 0 398.232 2.742 20 0 GFADRO COc1ccc(Cc2noc([C@]3(F)CC[NH2+]C3)n2)c(Br)c1OC ZINC000843203923 661372461 /nfs/dbraw/zinc/37/24/61/661372461.db2.gz YIVORHHUGDXQPG-HNNXBMFYSA-N 1 0 386.221 2.598 20 0 GFADRO [NH3+][C@@H](Cc1nc(Cc2cccc(F)c2I)no1)C1CC1 ZINC000843207908 661372611 /nfs/dbraw/zinc/37/26/11/661372611.db2.gz HJNAKRTXIKTXJH-NSHDSACASA-N 1 0 387.196 2.684 20 0 GFADRO O=C(Cc1noc(C[C@@H]2CSCC[NH2+]2)n1)Nc1c(Cl)cccc1Cl ZINC000843214308 661373031 /nfs/dbraw/zinc/37/30/31/661373031.db2.gz CYROCDLPUBDFON-SECBINFHSA-N 1 0 387.292 2.805 20 0 GFADRO O=C(COc1ccc(Br)cc1)Nc1cnn(C2CC[NH2+]CC2)c1 ZINC000843454353 661381986 /nfs/dbraw/zinc/38/19/86/661381986.db2.gz QRXIZCZPADPCHE-UHFFFAOYSA-N 1 0 379.258 2.588 20 0 GFADRO O=C(c1sccc1S(=O)(=O)C(F)F)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000843481959 661382907 /nfs/dbraw/zinc/38/29/07/661382907.db2.gz XSIBHKKXROGHHR-NWDGAFQWSA-N 1 0 392.493 2.596 20 0 GFADRO CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)NCCCCCC[NH3+])c1 ZINC000843505322 661383814 /nfs/dbraw/zinc/38/38/14/661383814.db2.gz GZPFGSPLGQYCKC-UHFFFAOYSA-N 1 0 389.949 2.619 20 0 GFADRO CCCN(C(=O)COc1ccc(C=O)cc1Br)[C@@H]1CC[N@H+](C)C1 ZINC000843991073 661399365 /nfs/dbraw/zinc/39/93/65/661399365.db2.gz HXAYFCFIQAZELJ-CQSZACIVSA-N 1 0 383.286 2.583 20 0 GFADRO CC(C)C[N@H+](C)CCCNC(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000844491433 661423593 /nfs/dbraw/zinc/42/35/93/661423593.db2.gz HAGYDDGPMDEDOR-UHFFFAOYSA-N 1 0 377.457 2.782 20 0 GFADRO COC[C@H]1CCC[N@H+](CN2CC(c3ccc(Br)cc3)=CC2=O)C1 ZINC000844693361 661434217 /nfs/dbraw/zinc/43/42/17/661434217.db2.gz YCEGAVRBHUEUPS-AWEZNQCLSA-N 1 0 379.298 2.991 20 0 GFADRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2Cn2nc(-c3ccc(Cl)s3)ccc2=O)C1 ZINC000844696479 661434593 /nfs/dbraw/zinc/43/45/93/661434593.db2.gz DVOVECIXRGVGFK-UKRRQHHQSA-N 1 0 378.929 2.999 20 0 GFADRO CN(C[C@H]1CCC[N@@H+]1C)CN1CC(c2ccc(Br)cc2)=CC1=O ZINC000844708345 661436471 /nfs/dbraw/zinc/43/64/71/661436471.db2.gz PKPXPIHEFZHHPF-QGZVFWFLSA-N 1 0 378.314 2.658 20 0 GFADRO Brc1ccn(CN2CCO[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC000844726611 661437279 /nfs/dbraw/zinc/43/72/79/661437279.db2.gz CWYMHCUQVGWHDB-IRXDYDNUSA-N 1 0 391.313 2.578 20 0 GFADRO COC(=O)[C@@H]1CN(Cn2nc(Cc3cccs3)oc2=S)C[C@H]1C1CC1 ZINC000844765039 661438430 /nfs/dbraw/zinc/43/84/30/661438430.db2.gz NSNGNNGBPJMIKF-UONOGXRCSA-N 1 0 379.507 2.946 20 0 GFADRO C[C@@H](C[NH+]1CCCC1)OC(=O)[C@@H]1CCN(c2ccccc2Br)C1=O ZINC000845673142 661487973 /nfs/dbraw/zinc/48/79/73/661487973.db2.gz QGTMDRWOJNUWFF-UONOGXRCSA-N 1 0 395.297 2.830 20 0 GFADRO C[C@@H]1CN(C(=O)NCCC[C@H]2CC2(Cl)Cl)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000845673509 661488205 /nfs/dbraw/zinc/48/82/05/661488205.db2.gz VRDUABZDSTUGPJ-OWCLPIDISA-N 1 0 391.387 2.628 20 0 GFADRO CN1CC[NH+](CCC(C)(C)NC(=O)NCCC[C@@H]2CC2(Cl)Cl)CC1 ZINC000845678273 661490285 /nfs/dbraw/zinc/49/02/85/661490285.db2.gz ZFGJATWQSCXRHV-CQSZACIVSA-N 1 0 379.376 2.676 20 0 GFADRO CC(=O)N[C@H](CC(=O)OC[C@@H]1CC[N@H+](C)[C@@H]1C)c1ccc(Br)cc1 ZINC000845815425 661498664 /nfs/dbraw/zinc/49/86/64/661498664.db2.gz ZSOFVAWATCAWRL-ISTRZQFTSA-N 1 0 397.313 2.900 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(S(=O)(=O)/C=C/c3ccc(Cl)cc3)C2)C1 ZINC000846231222 661539097 /nfs/dbraw/zinc/53/90/97/661539097.db2.gz OJGAYHPWAQWITH-JZWCWAFVSA-N 1 0 384.929 2.859 20 0 GFADRO Cc1cc(Br)sc1S(=O)(=O)NCc1ccc(CC[NH3+])cc1 ZINC000846229367 661539234 /nfs/dbraw/zinc/53/92/34/661539234.db2.gz TVCOEUQXICLPBU-UHFFFAOYSA-N 1 0 389.340 2.799 20 0 GFADRO [NH3+]CC1(CCNC(=O)Nc2cnc(Br)c(Br)c2)CC1 ZINC000846306863 661544175 /nfs/dbraw/zinc/54/41/75/661544175.db2.gz LZCOLRKVRULAQD-UHFFFAOYSA-N 1 0 392.095 2.857 20 0 GFADRO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCN(C(=O)Nc3ccnc(Br)c3)C2)C1 ZINC000846310425 661544560 /nfs/dbraw/zinc/54/45/60/661544560.db2.gz JIWYNKKVDNSYTA-YRGRVCCFSA-N 1 0 383.290 2.594 20 0 GFADRO C[C@H]1CCCN(C(=O)c2cn(-c3ccccc3Br)nn2)[C@H]1CC[NH3+] ZINC000846694161 661561904 /nfs/dbraw/zinc/56/19/04/661561904.db2.gz NODGNWLXZIDKKG-WFASDCNBSA-N 1 0 392.301 2.619 20 0 GFADRO CC1(C)C(=O)N[C@H]1C1CC[NH+](C[C@H](O)c2ccccc2Br)CC1 ZINC000846930941 661571262 /nfs/dbraw/zinc/57/12/62/661571262.db2.gz WDOGXTAWZSNYLG-HOTGVXAUSA-N 1 0 381.314 2.719 20 0 GFADRO CC(C)[NH+]1CCC(NC(=O)c2ccccc2S(=O)(=O)C(F)(F)F)CC1 ZINC000847298553 661586414 /nfs/dbraw/zinc/58/64/14/661586414.db2.gz UIUBNTTWADQPTF-UHFFFAOYSA-N 1 0 378.416 2.583 20 0 GFADRO CNC(=O)c1cc(Cl)ccc1NC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000847342126 661588248 /nfs/dbraw/zinc/58/82/48/661588248.db2.gz UVMXYDBXEQLFMP-CQSZACIVSA-N 1 0 381.929 2.856 20 0 GFADRO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)c1cnc(F)c(Br)c1 ZINC000847366099 661589555 /nfs/dbraw/zinc/58/95/55/661589555.db2.gz CAELTTQDVYHWDB-CQSZACIVSA-N 1 0 380.261 2.886 20 0 GFADRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)c1cnc(Cl)c(Br)c1 ZINC000847446926 661592623 /nfs/dbraw/zinc/59/26/23/661592623.db2.gz UMXACXJGKFLWCI-LBPRGKRZSA-N 1 0 390.709 2.680 20 0 GFADRO CO[C@@H](C(=O)OC[C@H]1C[N@@H+](C(C)C)CCO1)c1ccccc1Br ZINC000847680934 661605456 /nfs/dbraw/zinc/60/54/56/661605456.db2.gz SDVREBPPNCECKW-CZUORRHYSA-N 1 0 386.286 2.789 20 0 GFADRO COc1ccc(C(=O)OCC[C@@H]2CC[N@H+](C)C2)cc1I ZINC000847824005 661611865 /nfs/dbraw/zinc/61/18/65/661611865.db2.gz IEBYIXNKOGJICL-NSHDSACASA-N 1 0 389.233 2.798 20 0 GFADRO CC[NH+](CC)CC[C@H](CO)NC(=O)Cc1cc(C(F)(F)F)cc(Cl)n1 ZINC000848024895 661621298 /nfs/dbraw/zinc/62/12/98/661621298.db2.gz KVVCWTOWVJLIBX-GFCCVEGCSA-N 1 0 381.826 2.505 20 0 GFADRO CCOc1cc(C[NH2+]C[C@H]2CN(C3CC3)C(=O)O2)cc(Br)c1OC ZINC000848578878 661666663 /nfs/dbraw/zinc/66/66/63/661666663.db2.gz URNGVBMBMMXPKP-ZDUSSCGKSA-N 1 0 399.285 2.929 20 0 GFADRO COc1ccc(Cc2noc(CC[NH2+]C3CC3)n2)c(Br)c1OC ZINC000848624317 661668396 /nfs/dbraw/zinc/66/83/96/661668396.db2.gz ABCOUAHAQMKIJN-UHFFFAOYSA-N 1 0 382.258 2.735 20 0 GFADRO COc1ccc(NC(=[NH2+])NCc2ccc(NS(C)(=O)=O)cc2)cc1Cl ZINC000849062419 661691038 /nfs/dbraw/zinc/69/10/38/661691038.db2.gz HLDZBWRMKAETOL-UHFFFAOYSA-N 1 0 382.873 2.857 20 0 GFADRO C[C@@H]1CN(C(=[NH2+])NCCCOc2ncc(C(F)(F)F)cc2Cl)CCO1 ZINC000849094986 661691347 /nfs/dbraw/zinc/69/13/47/661691347.db2.gz KCWFICMRMDKDNV-SNVBAGLBSA-N 1 0 380.798 2.768 20 0 GFADRO CC(C)(C)OC(=O)NCCNC(=[NH2+])NCCc1ccccc1Br ZINC000849111357 661692824 /nfs/dbraw/zinc/69/28/24/661692824.db2.gz LSAIPBGQHLSWHR-UHFFFAOYSA-N 1 0 385.306 2.630 20 0 GFADRO [NH2+]=C(NC[C@@H](CO)Cc1ccc(F)c(Br)c1)Nc1ccccn1 ZINC000849116480 661693183 /nfs/dbraw/zinc/69/31/83/661693183.db2.gz KXBKKVSTQCNWFU-LBPRGKRZSA-N 1 0 381.249 2.771 20 0 GFADRO COc1ccc(C[C@H](CO)CNC(=[NH2+])N2CCC[C@@H](C)C2)cc1Br ZINC000849115214 661693355 /nfs/dbraw/zinc/69/33/55/661693355.db2.gz KCLQMABOCMQFGY-HIFRSBDPSA-N 1 0 398.345 2.865 20 0 GFADRO C[C@H](CNS(=O)(=O)Cc1cc(F)ccc1Br)[NH+]1CCCCC1 ZINC000849371789 661710480 /nfs/dbraw/zinc/71/04/80/661710480.db2.gz VZSIIJGYVDDKPP-GFCCVEGCSA-N 1 0 393.322 2.882 20 0 GFADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@H]2C(=O)Nc2ccc(Br)cc2)cn1 ZINC000849482854 661733320 /nfs/dbraw/zinc/73/33/20/661733320.db2.gz UDNTZQAVTUNIPP-CVEARBPZSA-N 1 0 377.286 2.857 20 0 GFADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)NCc2ccccc2Br)cn1 ZINC000849496591 661733840 /nfs/dbraw/zinc/73/38/40/661733840.db2.gz KIZBTDIQPJYMOF-HOTGVXAUSA-N 1 0 391.313 2.534 20 0 GFADRO O=C(COC(=O)C1CC[NH+](C2CC2)CC1)COc1ccc(Br)cc1 ZINC000849773556 661745229 /nfs/dbraw/zinc/74/52/29/661745229.db2.gz DWWVPKSCUKMDDH-UHFFFAOYSA-N 1 0 396.281 2.815 20 0 GFADRO Cc1cccc2[nH]c(C[NH2+]C3CCN(S(=O)(=O)C(F)(F)F)CC3)cc21 ZINC000850184706 661767080 /nfs/dbraw/zinc/76/70/80/661767080.db2.gz UXLJLINDBGHDRW-UHFFFAOYSA-N 1 0 375.416 2.880 20 0 GFADRO COc1cncc(C[NH2+]C[C@H](CO)Cc2ccc(OC)c(Br)c2)c1 ZINC000850316385 661770072 /nfs/dbraw/zinc/77/00/72/661770072.db2.gz JOMNFPWSZTZGDD-OAHLLOKOSA-N 1 0 395.297 2.802 20 0 GFADRO COc1sc(C[NH2+]CC[S@@](=O)CC(F)(F)F)cc1Br ZINC000850348551 661770744 /nfs/dbraw/zinc/77/07/44/661770744.db2.gz ONPPDINLUUNCQY-LJQANCHMSA-N 1 0 380.251 2.920 20 0 GFADRO CS(=O)(=O)CC1(CC[NH2+]Cc2cnn(Cc3ccccc3)c2Cl)CC1 ZINC000850345360 661770816 /nfs/dbraw/zinc/77/08/16/661770816.db2.gz WJJXUONNWQCFKV-UHFFFAOYSA-N 1 0 381.929 2.889 20 0 GFADRO O=[S@](CC[NH2+]Cc1c(Cl)cccc1N1CCOCC1)CC(F)(F)F ZINC000850348222 661770919 /nfs/dbraw/zinc/77/09/19/661770919.db2.gz HUAWUCPGXVTTLE-XMMPIXPASA-N 1 0 384.851 2.577 20 0 GFADRO C[C@@H](Cc1ccc(Cl)c(C(F)(F)F)c1)[NH2+]CCOCCS(C)(=O)=O ZINC000850443554 661776263 /nfs/dbraw/zinc/77/62/63/661776263.db2.gz CSWZRRCMUIZYDK-NSHDSACASA-N 1 0 387.851 2.941 20 0 GFADRO CC(C)S(=O)(=O)CC[NH2+][C@H]1CCc2ccc(I)cc21 ZINC000850469237 661777345 /nfs/dbraw/zinc/77/73/45/661777345.db2.gz QCLGVVDTNHRWRE-AWEZNQCLSA-N 1 0 393.290 2.691 20 0 GFADRO C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]CC[S@](=O)CC(F)(F)F ZINC000850490865 661778741 /nfs/dbraw/zinc/77/87/41/661778741.db2.gz IDFPMPLYGHJKQR-YDBLSZJJSA-N 1 0 398.878 2.978 20 0 GFADRO C[C@H]([NH2+]CCCC1CCC1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000850537683 661781098 /nfs/dbraw/zinc/78/10/98/661781098.db2.gz XEZJAEYYBCAMLK-AWEZNQCLSA-N 1 0 388.555 2.643 20 0 GFADRO CCOC(=O)[C@@H]1[C@H]([NH2+]CCC2SCCS2)CCN1C(=O)OC(C)(C)C ZINC000850568617 661781822 /nfs/dbraw/zinc/78/18/22/661781822.db2.gz CPGOVZZFFWNEIH-OCCSQVGLSA-N 1 0 390.571 2.713 20 0 GFADRO CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2cccc(C3SCCS3)c2)C1 ZINC000850681162 661785426 /nfs/dbraw/zinc/78/54/26/661785426.db2.gz BCOIKCJSQUPXMI-OAHLLOKOSA-N 1 0 379.551 2.704 20 0 GFADRO COc1ccccc1[C@@H]([NH3+])CNC(=O)c1cnn(C(C)(C)C)c1Br ZINC000851633454 661827008 /nfs/dbraw/zinc/82/70/08/661827008.db2.gz KCEQJRTXMDUAHU-ZDUSSCGKSA-N 1 0 395.301 2.839 20 0 GFADRO [NH3+]CCCCCCNC(=O)NCCc1ccc(I)cc1 ZINC000851667129 661827941 /nfs/dbraw/zinc/82/79/41/661827941.db2.gz NFBIDTZLFRQCQP-UHFFFAOYSA-N 1 0 389.281 2.652 20 0 GFADRO CC[N@H+](Cc1cc(Br)ccc1F)C[C@](O)(C(N)=O)c1ccccc1 ZINC000851738820 661829984 /nfs/dbraw/zinc/82/99/84/661829984.db2.gz UCOSZAWXARLTJY-GOSISDBHSA-N 1 0 395.272 2.783 20 0 GFADRO Cc1ccc(N)cc1S(=O)(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000851758963 661830787 /nfs/dbraw/zinc/83/07/87/661830787.db2.gz MYBXDOXJFZJVEE-OAHLLOKOSA-N 1 0 379.551 2.829 20 0 GFADRO CNS(=O)(=O)c1ccc(C[N@@H+]2CCC[C@H]2C[C@@H](O)c2cccs2)cc1 ZINC000851802170 661832859 /nfs/dbraw/zinc/83/28/59/661832859.db2.gz DMHJALAZHSYHKR-DOTOQJQBSA-N 1 0 380.535 2.744 20 0 GFADRO CC(C)(Cc1ccc(Br)cc1)[NH2+]C[C@@](O)(C(N)=O)c1ccccc1 ZINC000851842632 661838031 /nfs/dbraw/zinc/83/80/31/661838031.db2.gz YJHYWXXCZWHCME-IBGZPJMESA-N 1 0 391.309 2.733 20 0 GFADRO CCOP(=O)(OCC)[C@@H](O)C[NH+]1CCC(Oc2ncccc2F)CC1 ZINC000851992124 661848193 /nfs/dbraw/zinc/84/81/93/661848193.db2.gz BVNDKLZVYRWUEL-OAHLLOKOSA-N 1 0 376.365 2.648 20 0 GFADRO Cc1cc(C(C)(C)[NH2+]C[C@@](O)(C(N)=O)c2ccccc2)ccc1Br ZINC000852063132 661851319 /nfs/dbraw/zinc/85/13/19/661851319.db2.gz ABKSCANOTWLTRI-IBGZPJMESA-N 1 0 391.309 2.955 20 0 GFADRO O=C(NCc1ccc(OCC[NH+]2CCCC2)cc1)NCC1SCCS1 ZINC000852091700 661852434 /nfs/dbraw/zinc/85/24/34/661852434.db2.gz JTYHFEPSTPBPLW-UHFFFAOYSA-N 1 0 381.567 2.767 20 0 GFADRO C[C@@H]([NH2+]CCn1cnc(Br)n1)c1ccc(-n2cccn2)c(F)c1 ZINC000852090745 661852445 /nfs/dbraw/zinc/85/24/45/661852445.db2.gz AWOOMCFYNMZQSF-LLVKDONJSA-N 1 0 379.237 2.716 20 0 GFADRO COc1ccc([C@@H](CNC(=O)NCC2SCCS2)[NH+]2CCCC2)cc1 ZINC000852663742 661869748 /nfs/dbraw/zinc/86/97/48/661869748.db2.gz MYPGDGLOJGDFKU-MRXNPFEDSA-N 1 0 381.567 2.937 20 0 GFADRO O=C(NCCC1SCCS1)NCC1([NH+]2CCSCC2)CCCC1 ZINC000852678014 661870942 /nfs/dbraw/zinc/87/09/42/661870942.db2.gz ZSSVPHMUPZXPJP-UHFFFAOYSA-N 1 0 375.629 2.843 20 0 GFADRO [NH3+][C@@H]1CN(C(=O)c2sc3c(c2Br)CNC3)C[C@H]1c1ccccc1 ZINC000852829825 661875405 /nfs/dbraw/zinc/87/54/05/661875405.db2.gz OZHFNTBWHIFDDY-QWHCGFSZSA-N 1 0 392.322 2.681 20 0 GFADRO CCC[C@H]1C[NH2+]CCN1C(=O)c1cnn(-c2ccccc2)c1Br ZINC000852874718 661876045 /nfs/dbraw/zinc/87/60/45/661876045.db2.gz NPZXYTFMXQPKCQ-AWEZNQCLSA-N 1 0 377.286 2.849 20 0 GFADRO C[C@@H]1CC[NH2+][C@@H](C)[C@H]1NC(=O)c1cnn(-c2ccccc2)c1Br ZINC000852879614 661876373 /nfs/dbraw/zinc/87/63/73/661876373.db2.gz FZDSMOVWJCLSHR-XUJVJEKNSA-N 1 0 377.286 2.751 20 0 GFADRO Cc1ccc(C[C@@H](CO)C[NH2+]C[C@H](O)c2ccccn2)cc1Br ZINC000853110737 661882725 /nfs/dbraw/zinc/88/27/25/661882725.db2.gz KINCMXFLNFUQOA-QAPCUYQASA-N 1 0 379.298 2.627 20 0 GFADRO CC(C)(C)OC(=O)NCC[C@H](O)C[NH2+]C[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC000853117531 661882865 /nfs/dbraw/zinc/88/28/65/661882865.db2.gz WHRGLXXITSBTHP-SWLSCSKDSA-N 1 0 393.311 2.892 20 0 GFADRO C[NH+](C)C1(CNc2nc(Cl)nc3c(Br)c[nH]c32)CCOCC1 ZINC000853332864 661887628 /nfs/dbraw/zinc/88/76/28/661887628.db2.gz SKLXQJNKAKGZMY-UHFFFAOYSA-N 1 0 388.697 2.897 20 0 GFADRO CCOCCC[N@@H+]1CC[C@H](Nc2ncnc(F)c2Br)[C@@H](C)C1 ZINC000853342271 661887843 /nfs/dbraw/zinc/88/78/43/661887843.db2.gz BQBDDXIGBLRNDF-RYUDHWBXSA-N 1 0 375.286 2.927 20 0 GFADRO CC(C)NC(=O)[C@@H]1CCCN(CN2Cc3ccc(Br)cc3C2=O)C1 ZINC000853601416 661894398 /nfs/dbraw/zinc/89/43/98/661894398.db2.gz CFQGYTHGQSEGCM-CQSZACIVSA-N 1 0 394.313 2.599 20 0 GFADRO C[NH+](C)CCCOc1cnccc1CNc1ncnc(F)c1Br ZINC000853634713 661895878 /nfs/dbraw/zinc/89/58/78/661895878.db2.gz YNMWKSZRZIBEFT-UHFFFAOYSA-N 1 0 384.253 2.716 20 0 GFADRO C[NH+](C)Cc1cccc(NC(=O)N2CCn3ncc(Br)c3C2)c1 ZINC000853856203 661904440 /nfs/dbraw/zinc/90/44/40/661904440.db2.gz TZIRURIJTCVHEQ-UHFFFAOYSA-N 1 0 378.274 2.755 20 0 GFADRO C[NH+](C)CCCOC(=O)c1cnn(-c2ccccc2)c1I ZINC000853951102 661908740 /nfs/dbraw/zinc/90/87/40/661908740.db2.gz MZETWFJKGSGMPO-UHFFFAOYSA-N 1 0 399.232 2.585 20 0 GFADRO CN(C[C@@H](O)c1cccc(Br)c1)C(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000854244420 661920543 /nfs/dbraw/zinc/92/05/43/661920543.db2.gz FAKAGJRYFJMWBA-JKSUJKDBSA-N 1 0 398.345 2.997 20 0 GFADRO CN(C[C@H](O)c1ccccc1Br)C(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C ZINC000854244997 661920660 /nfs/dbraw/zinc/92/06/60/661920660.db2.gz ZZZHGGYEBKKREP-CJNGLKHVSA-N 1 0 398.345 2.997 20 0 GFADRO C[NH+]1CCC(ONC(=O)c2cc(Br)cc(N3CCCC3)c2)CC1 ZINC000854357519 661929308 /nfs/dbraw/zinc/92/93/08/661929308.db2.gz ATWJRQUGIUHBOB-UHFFFAOYSA-N 1 0 382.302 2.805 20 0 GFADRO Cc1ccc(Br)nc1C(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000855201359 661975492 /nfs/dbraw/zinc/97/54/92/661975492.db2.gz QYKMWUUEKOKGGH-UHFFFAOYSA-N 1 0 396.329 2.773 20 0 GFADRO O=C(NCC1CC[NH+](C2CCOCC2)CC1)c1ncsc1Br ZINC000855200556 661975542 /nfs/dbraw/zinc/97/55/42/661975542.db2.gz FAILCRVLBFJKPA-UHFFFAOYSA-N 1 0 388.331 2.526 20 0 GFADRO CCC[N@@H+]1CC[C@@H](NC(=O)c2ccnc(Cl)c2I)C1 ZINC000856072885 662018272 /nfs/dbraw/zinc/01/82/72/662018272.db2.gz FHPXYYQXZGMDHD-SECBINFHSA-N 1 0 393.656 2.554 20 0 GFADRO C[NH+](C)CCC[C@H]1CN(C(=O)c2ccc(C(F)(F)F)nc2Cl)CCO1 ZINC000856430322 662033654 /nfs/dbraw/zinc/03/36/54/662033654.db2.gz VXINXKXCBQJWPI-NSHDSACASA-N 1 0 379.810 2.937 20 0 GFADRO C[NH+](C)CCC[C@@H]1CN(C(=O)c2ccc(C(F)(F)F)nc2Cl)CCO1 ZINC000856430321 662033667 /nfs/dbraw/zinc/03/36/67/662033667.db2.gz VXINXKXCBQJWPI-LLVKDONJSA-N 1 0 379.810 2.937 20 0 GFADRO CS(=O)(=O)c1cc(C(=O)NC[C@@H]2CCC[N@H+](CC3CC3)C2)ccc1Cl ZINC000856476158 662035292 /nfs/dbraw/zinc/03/52/92/662035292.db2.gz OQDZITZSDBUWOY-AWEZNQCLSA-N 1 0 384.929 2.595 20 0 GFADRO C[C@@H]([NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1)c1ccc(C(F)(F)F)nc1Cl ZINC000856777242 662043753 /nfs/dbraw/zinc/04/37/53/662043753.db2.gz SGBXSQOKLQZRMG-ZJUUUORDSA-N 1 0 385.839 2.686 20 0 GFADRO C[NH+](C)C1(CNC(=O)c2c(Br)nc3n2CCOC3)CCCCCC1 ZINC000856811228 662045005 /nfs/dbraw/zinc/04/50/05/662045005.db2.gz CRESOUFMRMHAOZ-UHFFFAOYSA-N 1 0 399.333 2.560 20 0 GFADRO CN1CCC(CNC(=O)NCC[C@@H]2CC2(Cl)Cl)([NH+]2CCCCC2)CC1 ZINC000856868464 662048452 /nfs/dbraw/zinc/04/84/52/662048452.db2.gz ONBYWUNVYOTZLT-OAHLLOKOSA-N 1 0 391.387 2.820 20 0 GFADRO CN1CC[NH+](CC2(C)CCN(C(=O)NCC[C@H]3CC3(Cl)Cl)CC2)CC1 ZINC000856946731 662053712 /nfs/dbraw/zinc/05/37/12/662053712.db2.gz QFHFFDLLZMWNAI-HNNXBMFYSA-N 1 0 391.387 2.629 20 0 GFADRO [NH3+]C[C@@H]1CCCN(C(=O)NCC(F)(F)c2ccc(Br)cc2)C1 ZINC000857106639 662063714 /nfs/dbraw/zinc/06/37/14/662063714.db2.gz UJHPDKOAGPBXQN-NSHDSACASA-N 1 0 376.245 2.921 20 0 GFADRO CCn1ncc(C(=O)N2C[C@H]([NH+](C)C)CCc3cc(Br)ccc32)n1 ZINC000857880913 662093394 /nfs/dbraw/zinc/09/33/94/662093394.db2.gz OWJQBAHMSAJYEB-CQSZACIVSA-N 1 0 392.301 2.584 20 0 GFADRO Cc1ccnn1CC(=O)N1C[C@H]([NH+](C)C)CCc2cc(Br)ccc21 ZINC000857881701 662093629 /nfs/dbraw/zinc/09/36/29/662093629.db2.gz YRGMKXCNQMNAKW-MRXNPFEDSA-N 1 0 391.313 2.864 20 0 GFADRO Cn1ccc(CC(=O)N2C[C@H]([NH+](C)C)CCc3cc(Br)ccc32)n1 ZINC000857881689 662093669 /nfs/dbraw/zinc/09/36/69/662093669.db2.gz YJVQXILSXWZBRF-MRXNPFEDSA-N 1 0 391.313 2.635 20 0 GFADRO Cn1ncc(C(=O)N2C[C@@H]([NH+](C)C)CCc3ccccc32)c1Br ZINC000857926486 662094781 /nfs/dbraw/zinc/09/47/81/662094781.db2.gz GUECSSFJFMTEQL-ZDUSSCGKSA-N 1 0 377.286 2.706 20 0 GFADRO COCO[C@@H](C)c1cc(F)c(C[NH2+][C@H](C)CC(N)=O)cc1Br ZINC000858151050 662101804 /nfs/dbraw/zinc/10/18/04/662101804.db2.gz RGLDFKJWOJXUEL-ZJUUUORDSA-N 1 0 377.254 2.623 20 0 GFADRO Cc1nn(Cc2ccccc2Cl)c(Cl)c1C[NH2+]CCN1CC[C@@H](O)C1 ZINC000858299308 662107590 /nfs/dbraw/zinc/10/75/90/662107590.db2.gz TWCZLNKGRXSIJA-OAHLLOKOSA-N 1 0 383.323 2.703 20 0 GFADRO COc1cccc2c1OC[C@@H]([NH2+]Cc1cc(Br)cnc1OC)C2 ZINC000858494623 662113452 /nfs/dbraw/zinc/11/34/52/662113452.db2.gz LNHXJTXBJYUOTC-AWEZNQCLSA-N 1 0 379.254 2.955 20 0 GFADRO CCOC(=O)NC1CCC([NH2+]Cc2cc(Br)cnc2OC)CC1 ZINC000858495088 662113480 /nfs/dbraw/zinc/11/34/80/662113480.db2.gz ULNDHROWQGJGEE-UHFFFAOYSA-N 1 0 386.290 3.000 20 0 GFADRO OCc1cc(N2CCN(Cc3cc(Br)ccc3F)CC2)cc[nH+]1 ZINC000858528263 662114224 /nfs/dbraw/zinc/11/42/24/662114224.db2.gz PKTVAINVTRRQGV-UHFFFAOYSA-N 1 0 380.261 2.798 20 0 GFADRO COC(=O)Nc1ccc(S(=O)(=O)N[C@@](C)(C[NH3+])CC(C)C)cc1Cl ZINC000858608897 662116052 /nfs/dbraw/zinc/11/60/52/662116052.db2.gz MQWGXECSZWBERG-OAHLLOKOSA-N 1 0 377.894 2.560 20 0 GFADRO C[C@@]1(Br)C[C@@H]1C(=O)NCCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000858603882 662116069 /nfs/dbraw/zinc/11/60/69/662116069.db2.gz CUCCKPAKTLKFAY-IEBWSBKVSA-N 1 0 394.357 2.879 20 0 GFADRO [NH3+]C[C@H]1CN(S(=O)(=O)c2cccc3c2CCCC3)CC[C@@H]1C(F)(F)F ZINC000858623702 662117029 /nfs/dbraw/zinc/11/70/29/662117029.db2.gz NJEXNNNUCYOBHG-ZFWWWQNUSA-N 1 0 376.444 2.713 20 0 GFADRO CC[NH+](CC)[C@H]1CCN(S(=O)(=O)c2ccc(NC(=O)OC)c(Cl)c2)C1 ZINC000859042243 662133087 /nfs/dbraw/zinc/13/30/87/662133087.db2.gz YBCJTMFITBKVOL-LBPRGKRZSA-N 1 0 389.905 2.623 20 0 GFADRO O=C1Nc2ccc(Br)cc2CC[C@H]1[N@@H+]1CCC[C@H](C2OCCO2)C1 ZINC000859117876 662138839 /nfs/dbraw/zinc/13/88/39/662138839.db2.gz XEVGHCNABTYPSG-XJKSGUPXSA-N 1 0 395.297 2.787 20 0 GFADRO CN(Cc1ccc(C[NH+](C)C)cc1)Cc1cc(Cl)cc(S(N)(=O)=O)c1 ZINC000859212104 662145376 /nfs/dbraw/zinc/14/53/76/662145376.db2.gz FIFBPLQLGJRJSF-UHFFFAOYSA-N 1 0 381.929 2.681 20 0 GFADRO CC[C@H](C(=O)N1CC[NH+](CC(C)(C)O)CC1)c1ccc(Br)cc1 ZINC000859254365 662148098 /nfs/dbraw/zinc/14/80/98/662148098.db2.gz VEVSYLPBSMKTIR-INIZCTEOSA-N 1 0 383.330 2.858 20 0 GFADRO CC[C@@H](C(=O)N[C@H](C)CN1CC[NH+](C)CC1)c1ccc(Br)cc1 ZINC000859262064 662148740 /nfs/dbraw/zinc/14/87/40/662148740.db2.gz IRCUEYROYALWMW-RHSMWYFYSA-N 1 0 382.346 2.695 20 0 GFADRO O=C1Nc2ccc(Br)cc2CC[C@@H]1[NH+]1CCC2(CC1)OCCCO2 ZINC000859316587 662152699 /nfs/dbraw/zinc/15/26/99/662152699.db2.gz YCCIYELRLQYCTO-INIZCTEOSA-N 1 0 395.297 2.931 20 0 GFADRO C[C@H](CNC(=O)/C=C/c1csc(C(F)(F)F)c1)C[NH+]1CCN(C)CC1 ZINC000859361945 662156496 /nfs/dbraw/zinc/15/64/96/662156496.db2.gz UHRLRHXYUDYMFB-ITDFMYJTSA-N 1 0 375.460 2.780 20 0 GFADRO CC[C@H](C[NH+]1CCCC1)NC(=O)c1cc(Br)c2ncc(C=O)n2c1 ZINC000859423161 662161528 /nfs/dbraw/zinc/16/15/28/662161528.db2.gz NKFJHJASSQPXMP-CYBMUJFWSA-N 1 0 393.285 2.514 20 0 GFADRO C[C@H]1CN(C(=O)C[N@@H+]2CC[C@@H](Sc3ccc(Br)cc3)C2)CCO1 ZINC000859441869 662163181 /nfs/dbraw/zinc/16/31/81/662163181.db2.gz SDTBCXZHBWTIDJ-XJKSGUPXSA-N 1 0 399.354 2.863 20 0 GFADRO Cc1c(Br)nccc1NC(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000859692139 662172784 /nfs/dbraw/zinc/17/27/84/662172784.db2.gz WSOWNGFFUFBFRY-CQSZACIVSA-N 1 0 397.317 2.775 20 0 GFADRO C[C@@H]1C[C@@H](c2ccc(Br)cc2)C[N@@H+]1CCCOC(=O)NC(N)=O ZINC000859960513 662180506 /nfs/dbraw/zinc/18/05/06/662180506.db2.gz HXAWSKDXQMPMNG-DGCLKSJQSA-N 1 0 384.274 2.822 20 0 GFADRO CO[C@H]1C[N@H+](C)[C@@](C)(COC(=O)c2cccc(I)c2)C1 ZINC000861339822 662241452 /nfs/dbraw/zinc/24/14/52/662241452.db2.gz WWUHMNPXMVADMJ-UKRRQHHQSA-N 1 0 389.233 2.557 20 0 GFADRO C[NH+]1CCC(N(C[C@H](O)CC(C)(C)C)C(=O)[C@H]2C[C@@]2(C)Br)CC1 ZINC000861524301 662248991 /nfs/dbraw/zinc/24/89/91/662248991.db2.gz VJWWGTMVXIBVPS-IIDMSEBBSA-N 1 0 389.378 2.880 20 0 GFADRO O=C(NCCC[C@H]1CC1(Cl)Cl)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000861648548 662252979 /nfs/dbraw/zinc/25/29/79/662252979.db2.gz SXLLMVSQAHIVJA-LSDHHAIUSA-N 1 0 378.344 2.761 20 0 GFADRO O=C(c1c(Cl)cc(F)cc1Br)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000861713783 662255695 /nfs/dbraw/zinc/25/56/95/662255695.db2.gz DZFWGXSPDJXKMG-GHMZBOCLSA-N 1 0 391.668 2.523 20 0 GFADRO O=C(N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1)C(F)(F)c1cccc(Cl)c1Cl ZINC000861719838 662255831 /nfs/dbraw/zinc/25/58/31/662255831.db2.gz PNIHFWWCBIMEPS-MNOVXSKESA-N 1 0 379.234 2.753 20 0 GFADRO CC[C@H](C(=O)NCCC[N@H+](C)CCN(C)C)c1ccc(Br)cc1 ZINC000861742647 662257046 /nfs/dbraw/zinc/25/70/46/662257046.db2.gz HNWLAKSPYZYNCW-KRWDZBQOSA-N 1 0 384.362 2.942 20 0 GFADRO CC(C)(C[NH+]1CCCC1)NC(=O)c1cc(Br)c2ncc(C=O)n2c1 ZINC000861937731 662264487 /nfs/dbraw/zinc/26/44/87/662264487.db2.gz KZFOVLZRXLERRR-UHFFFAOYSA-N 1 0 393.285 2.514 20 0 GFADRO CN(C)[C@@]1(C[NH2+]C[C@H]2CC(F)(F)CN2C(=O)OC(C)(C)C)CCSC1 ZINC000862283204 662279175 /nfs/dbraw/zinc/27/91/75/662279175.db2.gz CHJSMLQDAOHGML-CZUORRHYSA-N 1 0 379.517 2.658 20 0 GFADRO Cc1nn(-c2cccc(Br)c2)cc1C[N@@H+]1C[C@@H]2COC(=O)[C@@H]2C1 ZINC000862547265 662291044 /nfs/dbraw/zinc/29/10/44/662291044.db2.gz ZKSAVNPGUJEHJP-CZUORRHYSA-N 1 0 376.254 2.548 20 0 GFADRO C[NH+]1CCC(NC(=S)NCc2cc(F)c(Br)cc2F)CC1 ZINC000863225243 662315929 /nfs/dbraw/zinc/31/59/29/662315929.db2.gz SXAZHPLNRFRBBE-UHFFFAOYSA-N 1 0 378.286 2.786 20 0 GFADRO COC(=O)c1cn(CN2CC[C@@H](Sc3ccc(Br)cc3)C2)nn1 ZINC000863279771 662317769 /nfs/dbraw/zinc/31/77/69/662317769.db2.gz AWQDWMLHOHYURR-CYBMUJFWSA-N 1 0 397.298 2.651 20 0 GFADRO Cc1c(Cl)cnn1C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(F)(F)F ZINC000863330409 662321316 /nfs/dbraw/zinc/32/13/16/662321316.db2.gz LZMVISNYBHSJRS-SFTQSGBHSA-N 1 0 376.810 2.534 20 0 GFADRO CCC1([NH+]2CCOCC2)CCN(C(=O)c2cccc(Br)n2)CC1 ZINC000863491984 662334765 /nfs/dbraw/zinc/33/47/65/662334765.db2.gz HCKHBIQZCUCOOK-UHFFFAOYSA-N 1 0 382.302 2.561 20 0 GFADRO O=C1O[C@H]2C[NH2+]C[C@H]2N1C1CCN(Cc2ccc(C(F)(F)F)s2)CC1 ZINC000863643111 662342039 /nfs/dbraw/zinc/34/20/39/662342039.db2.gz GRUCCMQHFRODBY-OLZOCXBDSA-N 1 0 375.416 2.524 20 0 GFADRO C[C@]1(Br)C[C@@H]1c1nc(-c2ccc(N3CCC([NH3+])CC3)nc2)no1 ZINC000863656248 662342629 /nfs/dbraw/zinc/34/26/29/662342629.db2.gz LERDCNKKKNOJGZ-WBMJQRKESA-N 1 0 378.274 2.700 20 0 GFADRO F[C@H](c1nc(Cc2cc3c(cc2Br)OCO3)no1)[C@H]1CC[NH2+]C1 ZINC000863666776 662342829 /nfs/dbraw/zinc/34/28/29/662342829.db2.gz HLJWCUXTQAVACA-RTHLEPHNSA-N 1 0 384.205 2.772 20 0 GFADRO F[C@@H](c1nc(-c2n[nH]c(-c3cccc(Br)c3)n2)no1)[C@H]1CC[NH2+]C1 ZINC000863671734 662343541 /nfs/dbraw/zinc/34/35/41/662343541.db2.gz CRLRTSOXLWRBHM-GXSJLCMTSA-N 1 0 393.220 2.904 20 0 GFADRO C[NH+](C)CC[C@](C)(O)CNC(=O)C(C)(C)[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000863908071 662349570 /nfs/dbraw/zinc/34/95/70/662349570.db2.gz MFTYNAJFGXWFBG-QAPCUYQASA-N 1 0 391.339 2.872 20 0 GFADRO O[C@@H](C[N@@H+]1CCC[C@H]1Cc1ccc(Br)cc1)CC1(O)CCOCC1 ZINC000863968657 662351652 /nfs/dbraw/zinc/35/16/52/662351652.db2.gz LNGMJKGUEISVHM-ZWKOTPCHSA-N 1 0 398.341 2.749 20 0 GFADRO COCC[NH+]1CCC(NC(=O)c2cc(F)c(Br)cc2F)CC1 ZINC000865014183 662395089 /nfs/dbraw/zinc/39/50/89/662395089.db2.gz DCQDZLJZVDDEPK-UHFFFAOYSA-N 1 0 377.229 2.568 20 0 GFADRO CC[NH+](CC)CCN(C(=O)[C@H]1CCC(=O)O1)c1cccc(Br)c1 ZINC000865071963 662397293 /nfs/dbraw/zinc/39/72/93/662397293.db2.gz MXEZWHZIZCASPP-OAHLLOKOSA-N 1 0 383.286 2.830 20 0 GFADRO C[C@H](CN1C(=O)[C@@H](c2ccc(Br)s2)N(C)C1=O)[N@H+](C)C1CC1 ZINC000865301991 662411268 /nfs/dbraw/zinc/41/12/68/662411268.db2.gz MWOYBXVEVVBHAO-NOZJJQNGSA-N 1 0 386.315 2.928 20 0 GFADRO Cn1ccnc1[C@](O)(CC[NH2+]Cc1cccnc1Br)C(F)(F)F ZINC000865428076 662420907 /nfs/dbraw/zinc/42/09/07/662420907.db2.gz PHFFKMDQSGGXGZ-CYBMUJFWSA-N 1 0 393.207 2.507 20 0 GFADRO CC(C)(C)OC(=O)N[C@@H](C[NH2+][C@H]1CCN(CC(F)(F)F)C1)CC(F)F ZINC000865438160 662421371 /nfs/dbraw/zinc/42/13/71/662421371.db2.gz NFAXRYKTQGUYER-WDEREUQCSA-N 1 0 375.382 2.761 20 0 GFADRO C[C@H](CS(C)(=O)=O)[NH2+]Cc1cc2c(s1)CCN(C(=O)OC(C)(C)C)C2 ZINC000865462456 662423030 /nfs/dbraw/zinc/42/30/30/662423030.db2.gz LEFFYFIJYKGLEG-GFCCVEGCSA-N 1 0 388.555 2.564 20 0 GFADRO CCS(=O)(=O)N1CCC(C[NH2+]Cc2ccc(OC(F)F)cc2F)CC1 ZINC000865528443 662426835 /nfs/dbraw/zinc/42/68/35/662426835.db2.gz SCOGYYFOJRHZLA-UHFFFAOYSA-N 1 0 380.432 2.578 20 0 GFADRO C[C@@H](CN1CC[NH+](C)CC1)Nc1nc(-c2ccc(Br)cc2)no1 ZINC000865525120 662426941 /nfs/dbraw/zinc/42/69/41/662426941.db2.gz SYDLNCWFUBIESO-LBPRGKRZSA-N 1 0 380.290 2.547 20 0 GFADRO Cn1cc(C[NH2+]CC[S@](=O)CC(F)(F)F)c(-c2cc(F)ccc2F)n1 ZINC000865622185 662432617 /nfs/dbraw/zinc/43/26/17/662432617.db2.gz OMPUSWCHSMBRTQ-VWLOTQADSA-N 1 0 381.370 2.766 20 0 GFADRO O=S(=O)(c1ccccc1)[C@H]1C[C@H]([NH2+]C2CCN(CC(F)(F)F)CC2)C1 ZINC000865767497 662441993 /nfs/dbraw/zinc/44/19/93/662441993.db2.gz TZDFFMMPCDUILW-KOMQPUFPSA-N 1 0 376.444 2.608 20 0 GFADRO COc1cc(C[NH2+]C[C@H]2CC3(CO2)CCOCC3)cc(Br)c1O ZINC000865781793 662442951 /nfs/dbraw/zinc/44/29/51/662442951.db2.gz SCVMHYSKFRGLHD-CYBMUJFWSA-N 1 0 386.286 2.839 20 0 GFADRO CSc1cc(C(=O)NC[C@H](C)N2CC[NH+](C)CC2)ccc1Br ZINC000865816900 662445146 /nfs/dbraw/zinc/44/51/46/662445146.db2.gz SRJALKLFOCELEL-LBPRGKRZSA-N 1 0 386.359 2.537 20 0 GFADRO C[C@@H](CNC(=O)c1ccc2ccc(Br)cc2c1)N1CC[NH+](C)CC1 ZINC000865816208 662445221 /nfs/dbraw/zinc/44/52/21/662445221.db2.gz BTMHIZFTIGZLEQ-AWEZNQCLSA-N 1 0 390.325 2.968 20 0 GFADRO C[NH+]1CCC(CNC(=O)c2cc(Br)no2)(c2ccccc2)CC1 ZINC000866044201 662458186 /nfs/dbraw/zinc/45/81/86/662458186.db2.gz HBBTWPKCXIULKQ-UHFFFAOYSA-N 1 0 378.270 2.831 20 0 GFADRO C[C@H]1C[C@@H](N(C)C(=O)c2ccc(I)cc2O)CC[N@@H+]1C ZINC000866050078 662458659 /nfs/dbraw/zinc/45/86/59/662458659.db2.gz VVLRWXCNYIFFLD-JQWIXIFHSA-N 1 0 388.249 2.552 20 0 GFADRO C[NH+](C)[C@@]1(CNC(=O)c2nc(Br)sc2Cl)CCSC1 ZINC000866334251 662468185 /nfs/dbraw/zinc/46/81/85/662468185.db2.gz SQHGFERBVHKVGI-LLVKDONJSA-N 1 0 384.752 2.726 20 0 GFADRO C[C@H]([NH2+]CC[C@@H]1CCCS1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000866478259 662475704 /nfs/dbraw/zinc/47/57/04/662475704.db2.gz GJIDLSLMPXHCID-RDJZCZTQSA-N 1 0 384.567 2.644 20 0 GFADRO O=C1OC[C@]2(C[NH2+][C@@H](c3ccc(Br)cc3F)C3CC3)COCCN12 ZINC000866519381 662478400 /nfs/dbraw/zinc/47/84/00/662478400.db2.gz AGPLEFYQQBRBGB-WBVHZDCISA-N 1 0 399.260 2.850 20 0 GFADRO C[NH+](C)CCOc1cccc(CNS(=O)(=O)C[C@@]2(C)CC2(Cl)Cl)c1 ZINC000866527014 662479004 /nfs/dbraw/zinc/47/90/04/662479004.db2.gz SJXLBSQEEPJURO-OAHLLOKOSA-N 1 0 395.352 2.630 20 0 GFADRO C[NH+](C)CCOc1ccc(CNS(=O)(=O)C[C@@]2(C)CC2(Cl)Cl)cc1 ZINC000866527327 662479205 /nfs/dbraw/zinc/47/92/05/662479205.db2.gz XPZKVJNEVNRSNQ-OAHLLOKOSA-N 1 0 395.352 2.630 20 0 GFADRO COC[C@@H]([NH2+][C@H](C)C1CCS(=O)(=O)CC1)c1cccc(Br)c1 ZINC000866597131 662482810 /nfs/dbraw/zinc/48/28/10/662482810.db2.gz NUJJAYFAKSQOEZ-MLGOLLRUSA-N 1 0 390.343 2.940 20 0 GFADRO O=S(=O)(c1cc2nc(Cl)ncc2s1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000866615212 662483934 /nfs/dbraw/zinc/48/39/34/662483934.db2.gz CMCVZEAFNQWTPR-NSHDSACASA-N 1 0 386.930 2.594 20 0 GFADRO Brc1ccc2c(c1)[C@H]1[C@H]([NH2+]C3CCN([C@H]4CCOC4)CC3)[C@H]1C2 ZINC000866609580 662483990 /nfs/dbraw/zinc/48/39/90/662483990.db2.gz HUMXJIGMZYHLCU-GDAAHCPNSA-N 1 0 377.326 2.930 20 0 GFADRO Brc1cccc(Cc2noc(CN3CCC[C@H]4[NH2+]CC[C@@H]43)n2)c1 ZINC000866726633 662492187 /nfs/dbraw/zinc/49/21/87/662492187.db2.gz YGYCDLOYFBVQAS-CABCVRRESA-N 1 0 377.286 2.749 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CCCN(S(=O)(=O)c2oc3ccccc3c2Br)C1 ZINC000866740366 662493460 /nfs/dbraw/zinc/49/34/60/662493460.db2.gz ROEWUORYWBOWQQ-GHMZBOCLSA-N 1 0 387.299 2.943 20 0 GFADRO O=S(=O)(c1ccc(C(F)(F)C(F)(F)F)cc1)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000866771971 662496587 /nfs/dbraw/zinc/49/65/87/662496587.db2.gz MCFGRYXVOPADNX-ZDUSSCGKSA-N 1 0 384.370 2.857 20 0 GFADRO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(S(=O)(=O)Cc2ccc(F)cc2Cl)CC1 ZINC000866772552 662496616 /nfs/dbraw/zinc/49/66/16/662496616.db2.gz WHDHDQHQZMSZLZ-IAGOWNOFSA-N 1 0 390.908 2.527 20 0 GFADRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2cc(Br)cn3ccnc23)C1 ZINC000866777007 662497545 /nfs/dbraw/zinc/49/75/45/662497545.db2.gz NPTJNJPGKNOGFQ-DOMZBBRYSA-N 1 0 377.286 2.653 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)C(=O)c1cc(Cl)cc(Cl)c1 ZINC000866864580 662504702 /nfs/dbraw/zinc/50/47/02/662504702.db2.gz WAPSGQIINHFLNQ-OAGGEKHMSA-N 1 0 385.291 2.886 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2C(=O)C(=O)c1cc(Cl)cc(Cl)c1 ZINC000866864577 662504708 /nfs/dbraw/zinc/50/47/08/662504708.db2.gz WAPSGQIINHFLNQ-BZUAXINKSA-N 1 0 385.291 2.886 20 0 GFADRO C[N@@H+]1CCC[C@H](CNS(=O)(=O)c2ccc(F)nc2F)[C@@H]1c1cccs1 ZINC000866865687 662504870 /nfs/dbraw/zinc/50/48/70/662504870.db2.gz RIYRAYTZIUIBMG-IAQYHMDHSA-N 1 0 387.477 2.783 20 0 GFADRO CC[NH+](CC)CCN(CCC(F)(F)F)S(=O)(=O)c1ccc(F)nc1F ZINC000866937206 662510019 /nfs/dbraw/zinc/51/00/19/662510019.db2.gz FAYNYPNUWZNOIZ-UHFFFAOYSA-N 1 0 389.390 2.645 20 0 GFADRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2S(=O)(=O)c2ccc3ccnc(Cl)c3c2)C1 ZINC000866985943 662514657 /nfs/dbraw/zinc/51/46/57/662514657.db2.gz NNGPOPFNQANPBZ-RHSMWYFYSA-N 1 0 379.913 2.993 20 0 GFADRO C[N@@H+]1CC[C@H]2CN(S(=O)(=O)c3cc(Cl)ccc3Br)CC[C@@H]21 ZINC000867810133 662578519 /nfs/dbraw/zinc/57/85/19/662578519.db2.gz XNCIFMMOYUFVBL-GWCFXTLKSA-N 1 0 393.734 2.817 20 0 GFADRO COc1ccc(CCNC(=O)[C@@H]([NH3+])c2cccc(Br)c2)cc1OC ZINC000867953061 662589006 /nfs/dbraw/zinc/58/90/06/662589006.db2.gz MNQIVQGAENNAEM-KRWDZBQOSA-N 1 0 393.281 2.825 20 0 GFADRO CC[NH+](CC)CC[C@H](CO)NC(=O)c1cc(F)c(Br)cc1F ZINC000867976993 662590224 /nfs/dbraw/zinc/59/02/24/662590224.db2.gz YNNONQJRSPLFOZ-SNVBAGLBSA-N 1 0 379.245 2.550 20 0 GFADRO Cc1cc([C@@H]([NH3+])CC(=O)NCc2ccc(Br)cn2)cc(Cl)n1 ZINC000867999505 662590917 /nfs/dbraw/zinc/59/09/17/662590917.db2.gz DEMBERHOVCLLRO-ZDUSSCGKSA-N 1 0 383.677 2.907 20 0 GFADRO C[C@@H](NC(=O)c1c(F)cccc1I)C1CC[NH2+]CC1 ZINC000868004004 662591083 /nfs/dbraw/zinc/59/10/83/662591083.db2.gz QQVVQRWNJBXBHR-SECBINFHSA-N 1 0 376.213 2.548 20 0 GFADRO C/C(=C/c1ccc(Br)o1)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000868055110 662592838 /nfs/dbraw/zinc/59/28/38/662592838.db2.gz AIYUJYGEYYCUOY-QBFSEMIESA-N 1 0 384.318 2.588 20 0 GFADRO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)N[C@@H]1COc2cccc(Br)c2C1 ZINC000868355944 662602752 /nfs/dbraw/zinc/60/27/52/662602752.db2.gz URHXOQGBWYIUPN-OLZOCXBDSA-N 1 0 394.313 2.536 20 0 GFADRO C[N@@H+]1CCC[C@H](CNC(=O)N[C@@H]2[C@H]3Cc4ccc(Br)cc4[C@@H]23)C1 ZINC000868366992 662603249 /nfs/dbraw/zinc/60/32/49/662603249.db2.gz BCSUFRRLQFMLGW-GLZXHMCRSA-N 1 0 378.314 2.728 20 0 GFADRO COC[C@H](NC(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1)c1cccc(Br)c1 ZINC000868374778 662603580 /nfs/dbraw/zinc/60/35/80/662603580.db2.gz UBVQOBFEQGFCNX-MAZHCROVSA-N 1 0 384.318 2.919 20 0 GFADRO CN(C)CC[N@H+](C)CCCN(C)C(=O)c1nc(Br)sc1Cl ZINC000868397169 662604096 /nfs/dbraw/zinc/60/40/96/662604096.db2.gz VOOCBLVQSFFQFI-UHFFFAOYSA-N 1 0 397.770 2.515 20 0 GFADRO CCN(C(=O)[C@@H](NC(C)=O)c1cccc(Br)c1)C1CC[NH+](C)CC1 ZINC000868697596 662615213 /nfs/dbraw/zinc/61/52/13/662615213.db2.gz ODLIKQPAHKCMIZ-KRWDZBQOSA-N 1 0 396.329 2.569 20 0 GFADRO O=C(NCc1ccc(Br)cn1)NC[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000868791623 662619395 /nfs/dbraw/zinc/61/93/95/662619395.db2.gz RHHXMUAWVFUBPK-KRWDZBQOSA-N 1 0 389.297 2.918 20 0 GFADRO C[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H]3[C@@H]4c5cc(Br)ccc5C[C@H]34)[C@@H]2C1 ZINC000868968184 662626280 /nfs/dbraw/zinc/62/62/80/662626280.db2.gz ZWWJDTBPJXLRJA-KMJFJPQNSA-N 1 0 375.310 2.887 20 0 GFADRO CC(C)[C@H]1CN(C(=O)c2cc(Br)ncc2Br)CC[NH2+]1 ZINC000869329642 662641959 /nfs/dbraw/zinc/64/19/59/662641959.db2.gz GVNVTFHGBHHVKU-LLVKDONJSA-N 1 0 391.107 2.677 20 0 GFADRO CC(C)n1ncc(C(=O)OCCCCC[NH+](C)C)c1I ZINC000870216961 662678608 /nfs/dbraw/zinc/67/86/08/662678608.db2.gz ACYDZEOVEMZQBJ-UHFFFAOYSA-N 1 0 393.269 2.957 20 0 GFADRO CC(C)N(C)C(=O)C1CCN(C(=O)[C@H]([NH3+])c2cccc(Br)c2)CC1 ZINC000870865387 662703951 /nfs/dbraw/zinc/70/39/51/662703951.db2.gz RHZYFRHFLPMGBQ-MRXNPFEDSA-N 1 0 396.329 2.554 20 0 GFADRO C[C@H](NC(=O)[C@H]1CC[C@H]([NH3+])CC1)c1cc2c(cc1Br)OCCO2 ZINC000870870337 662703976 /nfs/dbraw/zinc/70/39/76/662703976.db2.gz PUZCRZFEBQLFTD-SRVKXCTJSA-N 1 0 383.286 2.915 20 0 GFADRO CCc1[nH]nc(NC(=O)c2csc(C3CC[NH2+]CC3)n2)c1Br ZINC000870895601 662707178 /nfs/dbraw/zinc/70/71/78/662707178.db2.gz LBBKIDHSTMRDBV-UHFFFAOYSA-N 1 0 384.303 2.910 20 0 GFADRO [NH3+][C@H]1CC[C@@H](C(=O)N2CCN(Cc3cc(Br)ccc3F)CC2)CC1 ZINC000870931316 662708698 /nfs/dbraw/zinc/70/86/98/662708698.db2.gz CVVJPVZABJQDJV-AKAXFMLLSA-N 1 0 398.320 2.750 20 0 GFADRO [NH3+]C[C@H]1CCN(C(=O)c2c(F)ccc(I)c2Cl)C1 ZINC000870935004 662708917 /nfs/dbraw/zinc/70/89/17/662708917.db2.gz SUVMMIOQCUXUDH-SSDOTTSWSA-N 1 0 382.604 2.505 20 0 GFADRO Cn1cc([C@@H]2N(C(=O)[C@H]([NH3+])c3cccc(Br)c3)CC2(C)C)cn1 ZINC000870957685 662711411 /nfs/dbraw/zinc/71/14/11/662711411.db2.gz ACGUZFWJHPAHJW-CABCVRRESA-N 1 0 377.286 2.792 20 0 GFADRO Cn1cc([C@@H]2N(C(=O)[C@@H]([NH3+])c3cccc(Br)c3)CC2(C)C)cn1 ZINC000870957687 662711498 /nfs/dbraw/zinc/71/14/98/662711498.db2.gz ACGUZFWJHPAHJW-GJZGRUSLSA-N 1 0 377.286 2.792 20 0 GFADRO [NH3+][C@H]1C[C@@H](CNC(=O)c2cc(I)cc(C(F)(F)F)c2)C1 ZINC000870967514 662711699 /nfs/dbraw/zinc/71/16/99/662711699.db2.gz YQXHYEAFTFZRJJ-DGFRNANFSA-N 1 0 398.166 2.777 20 0 GFADRO CCn1c(-c2cc(Br)cn2C)nnc1N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000871064211 662714635 /nfs/dbraw/zinc/71/46/35/662714635.db2.gz VTYOOGZAYLMLLR-OCCSQVGLSA-N 1 0 393.333 2.596 20 0 GFADRO COc1cc(OC)c(NC(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)cc1Cl ZINC000871674246 662730797 /nfs/dbraw/zinc/73/07/97/662730797.db2.gz UVZSKEYMCYLFTL-BDAKNGLRSA-N 1 0 381.782 2.958 20 0 GFADRO [NH3+]C[C@H]1CN(S(=O)(=O)c2ccc(F)c(C(F)F)c2)CC[C@@H]1C(F)(F)F ZINC000871805805 662734608 /nfs/dbraw/zinc/73/46/08/662734608.db2.gz QFCPBRDWPZFDLX-KWQFWETISA-N 1 0 390.349 2.911 20 0 GFADRO [NH3+]C[C@H]1CN(S(=O)(=O)c2cc(Cl)ccc2Cl)C[C@@H]1C(F)(F)F ZINC000871809727 662734614 /nfs/dbraw/zinc/73/46/14/662734614.db2.gz BHNOJYYYKMIZON-CBAPKCEASA-N 1 0 377.215 2.751 20 0 GFADRO CC(C)OC[C@@H](O)C[NH2+]CC1(c2cccc(Br)c2)CCOCC1 ZINC000871974499 662748286 /nfs/dbraw/zinc/74/82/86/662748286.db2.gz HDXSYQVNZFPLJC-KRWDZBQOSA-N 1 0 386.330 2.873 20 0 GFADRO Cn1cc([C@H](O)C[NH2+][C@H](c2cccc(Br)c2)[C@@H]2CCOC2)cn1 ZINC000872039449 662754458 /nfs/dbraw/zinc/75/44/58/662754458.db2.gz SZEMTERFLIUDTG-KBRIMQKVSA-N 1 0 380.286 2.583 20 0 GFADRO CCc1nncn1CC[NH2+][C@@H](c1cccc(Br)c1)[C@@H]1CCOC1 ZINC000872039752 662754507 /nfs/dbraw/zinc/75/45/07/662754507.db2.gz VEXMHCBUOUKGMB-PBHICJAKSA-N 1 0 379.302 2.970 20 0 GFADRO CCn1cnnc1CC[NH2+][C@@H](c1cccc(Br)c1)[C@@H]1CCOC1 ZINC000872045411 662754674 /nfs/dbraw/zinc/75/46/74/662754674.db2.gz LNOLLNFFBFKTHL-PBHICJAKSA-N 1 0 379.302 2.970 20 0 GFADRO CCn1cnnc1CC[NH2+][C@H](c1cccc(Br)c1)[C@@H]1CCOC1 ZINC000872045412 662754686 /nfs/dbraw/zinc/75/46/86/662754686.db2.gz LNOLLNFFBFKTHL-RHSMWYFYSA-N 1 0 379.302 2.970 20 0 GFADRO CC[C@H]([NH2+]CCC[C@H]1CCOC1=O)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000872114395 662756218 /nfs/dbraw/zinc/75/62/18/662756218.db2.gz WAAIOWGYZFKYTO-WFASDCNBSA-N 1 0 388.917 2.632 20 0 GFADRO C[C@@H]([NH2+]CC1C[C@H]2CC[C@@H](C1)S2(=O)=O)c1cc(Br)ncc1F ZINC000872118751 662756330 /nfs/dbraw/zinc/75/63/30/662756330.db2.gz HTRLQTFWKLTHKW-WAAKLRNESA-N 1 0 391.306 2.990 20 0 GFADRO CC(C)(O)C[C@H](O)C[NH2+][C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O ZINC000872207345 662757796 /nfs/dbraw/zinc/75/77/96/662757796.db2.gz NOGNCOMFEPEVPX-GXTWGEPZSA-N 1 0 375.296 2.600 20 0 GFADRO CS(=O)(=O)c1ccc([C@@H](O)C[NH2+]Cc2ccsc2C(F)(F)F)cc1 ZINC000872216970 662758235 /nfs/dbraw/zinc/75/82/35/662758235.db2.gz KHCUPSSRAZTTIC-ZDUSSCGKSA-N 1 0 379.425 2.994 20 0 GFADRO O[C@H](C[NH2+]C[C@@H]1CC2(CO1)CCOCC2)c1ccc(F)c(Br)c1 ZINC000872230297 662758465 /nfs/dbraw/zinc/75/84/65/662758465.db2.gz XKIKYMJSKSOOIE-XJKSGUPXSA-N 1 0 388.277 2.797 20 0 GFADRO O[C@@H](C[NH2+]C[C@H]1CC2(CO1)CCOCC2)COc1ccc(Cl)c(Cl)c1 ZINC000872231689 662758641 /nfs/dbraw/zinc/75/86/41/662758641.db2.gz RHGYGPFBAJMJHS-DZGCQCFKSA-N 1 0 390.307 2.908 20 0 GFADRO COCCN(CC1CC[NH+](C)CC1)Cn1nc(N2CCCC2)sc1=S ZINC000872631960 662781332 /nfs/dbraw/zinc/78/13/32/662781332.db2.gz OXAWHNSPZFXHIB-UHFFFAOYSA-N 1 0 385.603 2.522 20 0 GFADRO C[N@@H+]1CC[C@H]2CN(CN3CC(c4ccc(Br)cc4)=CC3=O)CC[C@@H]21 ZINC000872722593 662786465 /nfs/dbraw/zinc/78/64/65/662786465.db2.gz FOVNECBJCCSSKS-YJBOKZPZSA-N 1 0 390.325 2.658 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)C(=O)Nc2cccc(Cl)c2Cl)C[C@H]1C(F)(F)F ZINC000873103121 662799871 /nfs/dbraw/zinc/79/98/71/662799871.db2.gz CSJKGZMVBSJLEP-JGVFFNPUSA-N 1 0 384.185 2.528 20 0 GFADRO COCCO[C@@H]1COCC[C@H]1[NH2+]Cc1c(Br)c2ccccc2n1C ZINC000873109492 662800006 /nfs/dbraw/zinc/80/00/06/662800006.db2.gz UNRHUBMUBHRRAD-RHSMWYFYSA-N 1 0 397.313 2.851 20 0 GFADRO Cc1sc(C[NH2+][C@H]2CCN(c3ccc4nncn4n3)C2)cc1Br ZINC000873141721 662801721 /nfs/dbraw/zinc/80/17/21/662801721.db2.gz JIPIVUYUORWFNG-NSHDSACASA-N 1 0 393.314 2.625 20 0 GFADRO C[N@@H+]1CCn2nc(NCc3cccc(F)c3I)cc2C1 ZINC000873152113 662801842 /nfs/dbraw/zinc/80/18/42/662801842.db2.gz FISBHNRCPWJKBI-UHFFFAOYSA-N 1 0 386.212 2.684 20 0 GFADRO C[N@@H+]1CC[C@]2(CCN(C(=O)NCc3cc(C(F)(F)F)cc(Cl)n3)C2)C1 ZINC000873182823 662803424 /nfs/dbraw/zinc/80/34/24/662803424.db2.gz VIYNQQLCLXISSU-HNNXBMFYSA-N 1 0 376.810 2.991 20 0 GFADRO CCS(=O)(=O)c1c(Cl)cccc1CN1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000873227945 662804245 /nfs/dbraw/zinc/80/42/45/662804245.db2.gz NGYJRGMDAARUMZ-NEPJUHHUSA-N 1 0 384.851 2.703 20 0 GFADRO O=C(NC[C@H]1CC2(CO1)CC[NH2+]CC2)Nc1cc(Br)ccc1F ZINC000873308952 662805146 /nfs/dbraw/zinc/80/51/46/662805146.db2.gz HRWWUSRSPVWCRF-GFCCVEGCSA-N 1 0 386.265 2.868 20 0 GFADRO COCCOc1ccc(Br)cc1NC(=O)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000873317740 662805319 /nfs/dbraw/zinc/80/53/19/662805319.db2.gz SEUVWFPGXABWAJ-RDJZCZTQSA-N 1 0 398.301 2.880 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)Nc2nc(C3CCOCC3)cs2)C[C@H]1C(F)(F)F ZINC000873323842 662805471 /nfs/dbraw/zinc/80/54/71/662805471.db2.gz IDHJGNMTUHXEHT-GHMZBOCLSA-N 1 0 378.420 2.638 20 0 GFADRO CCc1ccc(Br)c(NC(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000873666265 662811481 /nfs/dbraw/zinc/81/14/81/662811481.db2.gz BHNGWJPEHXFUIB-KBPBESRZSA-N 1 0 394.313 2.693 20 0 GFADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2cc(Cl)cc(Cl)c2F)C1 ZINC000873739645 662812980 /nfs/dbraw/zinc/81/29/80/662812980.db2.gz KONYCMQFURZHLZ-JTQLQIEISA-N 1 0 376.259 2.871 20 0 GFADRO CCc1ccc(Br)c(NC(=O)C(=O)NCC[C@@H]2CCC[N@H+](C)C2)c1 ZINC000873915207 662818372 /nfs/dbraw/zinc/81/83/72/662818372.db2.gz IGSMASBEEXLBTA-AWEZNQCLSA-N 1 0 396.329 2.798 20 0 GFADRO O=C(NCCCC[NH+]1CCN(c2ccccc2)CC1)C1(Br)CC1 ZINC000874085177 662822145 /nfs/dbraw/zinc/82/21/45/662822145.db2.gz KTQJWJHVXMSVBN-UHFFFAOYSA-N 1 0 380.330 2.633 20 0 GFADRO COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2C ZINC000874370103 662830254 /nfs/dbraw/zinc/83/02/54/662830254.db2.gz WIZJEWXBAZQBRV-UONOGXRCSA-N 1 0 386.279 2.636 20 0 GFADRO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)C[C@@H]1Sc2ccc(Cl)cc2NC1=O ZINC000874847771 662838295 /nfs/dbraw/zinc/83/82/95/662838295.db2.gz QSMQHCBQRCXQCZ-LZWOXQAQSA-N 1 0 379.913 2.838 20 0 GFADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)Oc2cc(F)ccc2Br)cn1 ZINC000875471319 662846611 /nfs/dbraw/zinc/84/66/11/662846611.db2.gz YTPYMWSKNHEHPN-KBPBESRZSA-N 1 0 396.260 2.963 20 0 GFADRO C[C@@H](CCNC(=O)NCc1ncc(Br)s1)[NH+]1CCCCC1 ZINC000875484916 662846685 /nfs/dbraw/zinc/84/66/85/662846685.db2.gz NGIZXMKAWONQSO-NSHDSACASA-N 1 0 375.336 2.969 20 0 GFADRO CC[C@H](C[C@@H](C)O)NC(=O)NCCc1cn2cc(Br)cc(C)c2n1 ZINC000875488356 662846776 /nfs/dbraw/zinc/84/67/76/662846776.db2.gz WBILGFVRBJTYKE-TZMCWYRMSA-N 1 0 397.317 2.796 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2ncc(Br)s2)C[C@H]1C ZINC000876285461 662858841 /nfs/dbraw/zinc/85/88/41/662858841.db2.gz CJHSRSIQTBDZMV-MNOVXSKESA-N 1 0 375.336 2.920 20 0 GFADRO O=C(NCc1ccc(C(F)(F)F)s1)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000876343807 662860148 /nfs/dbraw/zinc/86/01/48/662860148.db2.gz GVWXUQGGPMHKBR-OLZOCXBDSA-N 1 0 377.432 2.508 20 0 GFADRO [NH3+]Cc1ccc2c(c1)CCCN2C(=O)COc1ccc(Br)cn1 ZINC000876530531 662862510 /nfs/dbraw/zinc/86/25/10/662862510.db2.gz ULTPZPXEMMJRAM-UHFFFAOYSA-N 1 0 376.254 2.661 20 0 GFADRO C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCO[C@@H](c2ccccc2Br)C1 ZINC000876627974 662863783 /nfs/dbraw/zinc/86/37/83/662863783.db2.gz MDSPRTBVMDWPRI-TZBKYLFUSA-N 1 0 379.298 2.761 20 0 GFADRO COc1cc(Br)c(CNC(=O)/C=C/[C@H]2CCC[NH2+]C2)cc1OC ZINC000876643444 662864172 /nfs/dbraw/zinc/86/41/72/662864172.db2.gz YLQAWZFLJUIVBE-BTDICHCPSA-N 1 0 383.286 2.638 20 0 GFADRO CC1(C)[C@H]([NH3+])C[C@@H]1C(=O)Nc1cc(Br)ccc1N1CCOCC1 ZINC000876712242 662865207 /nfs/dbraw/zinc/86/52/07/662865207.db2.gz CRKXUOWQIFESRR-IUODEOHRSA-N 1 0 382.302 2.598 20 0 GFADRO O=C(/C=C/[C@H]1CCC[NH2+]C1)N1CCN(Cc2ccc(Br)s2)CC1 ZINC000876710753 662865211 /nfs/dbraw/zinc/86/52/11/662865211.db2.gz MPNYQUASLONROB-BOTMBNHJSA-N 1 0 398.370 2.711 20 0 GFADRO O=C(/C=C\[C@@H]1CCC[NH2+]C1)NC[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000876737833 662865733 /nfs/dbraw/zinc/86/57/33/662865733.db2.gz WGKIVLJPFGUVIV-KQLNYGGHSA-N 1 0 392.341 2.947 20 0 GFADRO Cc1nc(C2CC[NH2+]CC2)sc1C(=O)N1CCN(c2cccs2)CC1 ZINC000876772613 662866149 /nfs/dbraw/zinc/86/61/49/662866149.db2.gz FYJSFFNVYBEYTM-UHFFFAOYSA-N 1 0 376.551 2.942 20 0 GFADRO [NH3+]C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](c3ccc(F)c(Br)c3)C2)C1(F)F ZINC000876910487 662867885 /nfs/dbraw/zinc/86/78/85/662867885.db2.gz DAVTZNOEOZLNIY-VWMGYNLJSA-N 1 0 377.204 2.790 20 0 GFADRO COc1ccccc1SC[C@H](C)C[NH2+]Cc1cccc(S(N)(=O)=O)c1 ZINC000877015679 662869713 /nfs/dbraw/zinc/86/97/13/662869713.db2.gz ZIGFFAFJVISKHP-CQSZACIVSA-N 1 0 380.535 2.861 20 0 GFADRO C[C@@H]([NH2+]Cc1cnn2cc(Br)cnc12)[C@@H](O)c1ccc(F)cc1 ZINC000877034512 662869910 /nfs/dbraw/zinc/86/99/10/662869910.db2.gz JFOZACNSWSSDRF-MEBBXXQBSA-N 1 0 379.233 2.843 20 0 GFADRO CCO[P@@](C)(=O)CC[C@@H](C)[NH2+]CC1CCN(S(=O)(=O)C(F)F)CC1 ZINC000877039484 662870036 /nfs/dbraw/zinc/87/00/36/662870036.db2.gz LAMJGYKRXAOVEZ-SFDCACGMSA-N 1 0 390.433 2.563 20 0 GFADRO CS(=O)(=O)[C@H]1CCC[C@@H](NCc2nc(Cl)ccc2Br)C1 ZINC000877051330 662870220 /nfs/dbraw/zinc/87/02/20/662870220.db2.gz VRPIJUQMIKREJB-ZJUUUORDSA-N 1 0 381.723 2.943 20 0 GFADRO NS(=O)(=O)c1cccc(C[NH2+][C@H]2CCCN(c3ccccc3Cl)C2)c1 ZINC000877057700 662870324 /nfs/dbraw/zinc/87/03/24/662870324.db2.gz LTUAKCDODRUSFY-HNNXBMFYSA-N 1 0 379.913 2.746 20 0 GFADRO C[C@@H]([NH2+]Cc1ccc(S(N)(=O)=O)s1)[C@H](O)c1c(Cl)cccc1Cl ZINC000877067383 662870579 /nfs/dbraw/zinc/87/05/79/662870579.db2.gz CQHJAYVEEOOBCF-CLAHSXSESA-N 1 0 395.333 2.914 20 0 GFADRO CC[C@](C)(COc1ncccc1Cl)[NH2+]Cc1cccc(S(N)(=O)=O)c1 ZINC000877114088 662871164 /nfs/dbraw/zinc/87/11/64/662871164.db2.gz UYQYJUCWEYAHLX-QGZVFWFLSA-N 1 0 383.901 2.720 20 0 GFADRO CCO[P@](C)(=O)CC[C@H](C)[NH2+]CCNS(=O)(=O)c1ccc(C)s1 ZINC000877116679 662871318 /nfs/dbraw/zinc/87/13/18/662871318.db2.gz STIHTJZUWYTQHF-QKVFXAPYSA-N 1 0 382.488 2.647 20 0 GFADRO CC(C)(COc1ncc(Cl)cc1Cl)[NH2+]CC1CCS(=O)(=O)CC1 ZINC000877117081 662871344 /nfs/dbraw/zinc/87/13/44/662871344.db2.gz HLECOWUUZBFPFS-UHFFFAOYSA-N 1 0 381.325 2.960 20 0 GFADRO Cc1ccc(-n2nc(Br)cc2C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000877169609 662871884 /nfs/dbraw/zinc/87/18/84/662871884.db2.gz FCUXJYQGZCOQNW-BETUJISGSA-N 1 0 375.270 2.520 20 0 GFADRO C[NH+]1CCC2(CCN(C(=O)[C@H](N)c3ccccc3Br)CC2)CC1 ZINC000877191671 662872149 /nfs/dbraw/zinc/87/21/49/662872149.db2.gz AUTCJURFKJUSSN-MRXNPFEDSA-N 1 0 380.330 2.783 20 0 GFADRO CN1CC[C@H]([NH2+][C@H](CO)C2CCOCC2)C[C@@H]1c1ccc(Br)cc1 ZINC000877194846 662872158 /nfs/dbraw/zinc/87/21/58/662872158.db2.gz CZNQFDBNMLBSRF-IPMKNSEASA-N 1 0 397.357 2.962 20 0 GFADRO Cc1csc(C(=O)N2CCC[C@@H]3[NH2+]CC[C@H]32)c1I ZINC000877276796 662872907 /nfs/dbraw/zinc/87/29/07/662872907.db2.gz IOLNACKHXVBVEM-VHSXEESVSA-N 1 0 376.263 2.628 20 0 GFADRO COCC[C@H](Cc1cccc(Br)c1)C(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000877277339 662872992 /nfs/dbraw/zinc/87/29/92/662872992.db2.gz GYJMHCAFYWKQLV-NXHRZFHOSA-N 1 0 395.341 2.997 20 0 GFADRO COCC1(C(=O)NCC2(c3ccc(Br)cc3)CC2)CC[NH2+]CC1 ZINC000877306595 662873358 /nfs/dbraw/zinc/87/33/58/662873358.db2.gz UECBNOFCKBUWRO-UHFFFAOYSA-N 1 0 381.314 2.613 20 0 GFADRO Cc1cc(C(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)c(C)cc1Br ZINC000877327978 662873635 /nfs/dbraw/zinc/87/36/35/662873635.db2.gz AQGNKEDWWWKKOW-AWEZNQCLSA-N 1 0 381.314 2.954 20 0 GFADRO O=C(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)c1c[nH]nc1-c1ccc(Cl)s1 ZINC000877329775 662873772 /nfs/dbraw/zinc/87/37/72/662873772.db2.gz VICWDPZJRIOGLT-NSHDSACASA-N 1 0 380.901 2.680 20 0 GFADRO O=C(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)c1cccnc1SC(F)(F)F ZINC000877334182 662873845 /nfs/dbraw/zinc/87/38/45/662873845.db2.gz LBDXNKJKAIHZPE-NSHDSACASA-N 1 0 375.416 2.582 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)Cc2cc(F)ccc2Br)C[C@@H]1C(F)(F)F ZINC000877359371 662874519 /nfs/dbraw/zinc/87/45/19/662874519.db2.gz GOSUIHWNELJGOV-ONGXEEELSA-N 1 0 383.183 2.726 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)c2cc(F)c(F)cc2Br)C[C@H]1C(F)(F)F ZINC000877361492 662874544 /nfs/dbraw/zinc/87/45/44/662874544.db2.gz UROFZCIBYXZPKO-POYBYMJQSA-N 1 0 387.146 2.937 20 0 GFADRO C[C@H](Oc1cccc(Br)c1)C(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000877363414 662874604 /nfs/dbraw/zinc/87/46/04/662874604.db2.gz DMDPZGVAIPSPSV-OUJBWJOFSA-N 1 0 395.219 2.812 20 0 GFADRO O=C(CNC(=O)c1sc2ccccc2c1Cl)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000877388614 662875318 /nfs/dbraw/zinc/87/53/18/662875318.db2.gz CIUIBHANKOUDPB-UGSOOPFHSA-N 1 0 377.897 2.685 20 0 GFADRO O=C(N[C@]12CCC[C@H]1[NH2+]CC2)c1nn(-c2ccc(F)cc2)cc1Br ZINC000877393804 662875363 /nfs/dbraw/zinc/87/53/63/662875363.db2.gz OWDLFAMTOLGWQB-PBHICJAKSA-N 1 0 393.260 2.788 20 0 GFADRO OCC[C@H](Cc1ccccc1)[NH2+]Cc1cnn2cc(Br)cnc12 ZINC000877498538 662877146 /nfs/dbraw/zinc/87/71/46/662877146.db2.gz RBJBQEQTJCFVFR-MRXNPFEDSA-N 1 0 375.270 2.575 20 0 GFADRO CCO[P@](C)(=O)CC[C@H](C)[NH2+]CCNS(=O)(=O)c1ccc(F)cc1F ZINC000877499696 662877274 /nfs/dbraw/zinc/87/72/74/662877274.db2.gz UACRTPRILWHUGR-MCFWBGNESA-N 1 0 398.412 2.556 20 0 GFADRO Cc1ccc(Br)c(F)c1CN1CC[NH+]([C@@H]2CCNC(=O)CC2)CC1 ZINC000877572182 662879158 /nfs/dbraw/zinc/87/91/58/662879158.db2.gz BVNOKDKOLXXQAS-AWEZNQCLSA-N 1 0 398.320 2.683 20 0 GFADRO C[N@H+](Cc1cnn2cc(Br)cnc12)C[C@@]1(O)CCc2ccccc21 ZINC000877604305 662879766 /nfs/dbraw/zinc/87/97/66/662879766.db2.gz KRTLHJUYNLGIMT-SFHVURJKSA-N 1 0 387.281 2.758 20 0 GFADRO CO[C@]1(C[N@@H+]2CC[C@@]3(C)[C@@H](C2)C3(Br)Br)CCOC1 ZINC000877622889 662880213 /nfs/dbraw/zinc/88/02/13/662880213.db2.gz FPZPJABCTVVTSZ-WOPDTQHZSA-N 1 0 383.124 2.620 20 0 GFADRO COC(=O)Cc1ccc(C[NH2+]Cc2cc(Br)cnc2OC)cc1 ZINC000877650877 662880784 /nfs/dbraw/zinc/88/07/84/662880784.db2.gz OYFJQKNQGPEREK-UHFFFAOYSA-N 1 0 379.254 2.858 20 0 GFADRO COC(=O)c1ccc(C[NH2+][C@@H]2CCO[C@@H]2c2nc(C)no2)cc1Br ZINC000877660850 662881048 /nfs/dbraw/zinc/88/10/48/662881048.db2.gz SBMDFOZGHDVKNF-KGLIPLIRSA-N 1 0 396.241 2.547 20 0 GFADRO CCOC(=O)[C@@]1(C[NH2+]Cc2cc(Br)cnc2Cl)CCCOC1 ZINC000877698022 662882254 /nfs/dbraw/zinc/88/22/54/662882254.db2.gz FQFDJMPIWNOUHJ-OAHLLOKOSA-N 1 0 391.693 2.947 20 0 GFADRO COc1ccc(CN2CCC([NH+]3CCN(C)CC3)CC2)c(Br)c1 ZINC000877746584 662882749 /nfs/dbraw/zinc/88/27/49/662882749.db2.gz SBBBQMCUABJYKI-UHFFFAOYSA-N 1 0 382.346 2.670 20 0 GFADRO CC[N@H+](C[C@@H](O)c1cc(Br)no1)C[C@@H]1COc2ccccc2O1 ZINC000877905670 662885625 /nfs/dbraw/zinc/88/56/25/662885625.db2.gz ANAOKRIPALFSTD-VXGBXAGGSA-N 1 0 383.242 2.632 20 0 GFADRO CC[N@H+](C[C@@H](O)c1cc(Br)no1)C[C@H]1COc2ccccc2O1 ZINC000877905668 662885653 /nfs/dbraw/zinc/88/56/53/662885653.db2.gz ANAOKRIPALFSTD-NWDGAFQWSA-N 1 0 383.242 2.632 20 0 GFADRO CC[N@@H+](Cc1ccc(C(=O)N(C)C)cc1)C[C@@H](O)c1cc(Br)no1 ZINC000878047693 662888939 /nfs/dbraw/zinc/88/89/39/662888939.db2.gz IKYIKWVDVCXXNR-CQSZACIVSA-N 1 0 396.285 2.694 20 0 GFADRO CO[C@H]1C[C@@H](C[NH+]2CCC(C(=O)Nc3ccc(Br)cn3)CC2)C1 ZINC000878213966 662891801 /nfs/dbraw/zinc/89/18/01/662891801.db2.gz NKBHXGKTWMOQBK-JNSHFYNHSA-N 1 0 382.302 2.920 20 0 GFADRO CN(C[C@H](O)c1cc(Br)no1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000878272270 662892838 /nfs/dbraw/zinc/89/28/38/662892838.db2.gz YHDMLVOCEWLOMN-CABCVRRESA-N 1 0 380.286 2.677 20 0 GFADRO CCOC(=O)CC[C@@H]1CCC[N@H+](C[C@@H](O)c2cc(Br)no2)C1 ZINC000878292814 662893389 /nfs/dbraw/zinc/89/33/89/662893389.db2.gz CCVCQJYQXUWNOJ-NWDGAFQWSA-N 1 0 375.263 2.526 20 0 GFADRO CN(Cc1ccccc1)CC(C)(C)[NH2+]C[C@@H](O)c1cc(Br)no1 ZINC000878298947 662893450 /nfs/dbraw/zinc/89/34/50/662893450.db2.gz OCVVUIYINOJCNU-CQSZACIVSA-N 1 0 382.302 2.971 20 0 GFADRO NC(=O)c1ccc(CC[NH2+][C@@H](CCO)c2ccccc2Br)cc1 ZINC000878396707 662895393 /nfs/dbraw/zinc/89/53/93/662895393.db2.gz PLQUXYQLEIBDGL-KRWDZBQOSA-N 1 0 377.282 2.804 20 0 GFADRO CC[NH+](CC)[C@H](CNC(=O)Cc1c(Br)cnn1C)c1ccco1 ZINC000878484904 662897364 /nfs/dbraw/zinc/89/73/64/662897364.db2.gz BPFHRMSZCFDYIL-CQSZACIVSA-N 1 0 383.290 2.517 20 0 GFADRO CN(CC(=O)NC1CC[NH+](C)CC1)Cc1cc(Br)ccc1Cl ZINC000878508583 662897705 /nfs/dbraw/zinc/89/77/05/662897705.db2.gz CFLCUKJZAMWBCB-UHFFFAOYSA-N 1 0 388.737 2.745 20 0 GFADRO CN(C[C@H]1CCC[N@H+](CCc2ccccc2Br)C1)S(C)(=O)=O ZINC000878598384 662899861 /nfs/dbraw/zinc/89/98/61/662899861.db2.gz FXRXIOHSCJSCJH-CQSZACIVSA-N 1 0 389.359 2.595 20 0 GFADRO COC(=O)C[C@](C)([NH2+]C[C@H](O)c1ccc(Br)cc1)c1ccncc1 ZINC000878610506 662900122 /nfs/dbraw/zinc/90/01/22/662900122.db2.gz XUHKYDQTIPVKDU-WMZOPIPTSA-N 1 0 393.281 2.946 20 0 GFADRO Cc1cc(CC(C)(C)[NH2+]Cc2nnc3c(=O)[nH]ccn23)ccc1Br ZINC000878644045 662901531 /nfs/dbraw/zinc/90/15/31/662901531.db2.gz SYNHGWOJRQEFLF-UHFFFAOYSA-N 1 0 390.285 2.599 20 0 GFADRO Cn1ncc(Br)c1CC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000878718231 662903436 /nfs/dbraw/zinc/90/34/36/662903436.db2.gz RMEXLCKQCHFCAA-HNNXBMFYSA-N 1 0 397.361 2.840 20 0 GFADRO Cc1cc(Br)ncc1NC(=O)N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000878901391 662909036 /nfs/dbraw/zinc/90/90/36/662909036.db2.gz BEJNNRLXMOFCOZ-CQSZACIVSA-N 1 0 397.317 2.917 20 0 GFADRO C[NH+]1CCC2(CCN2C(=O)c2ccc3cncc(Br)c3n2)CC1 ZINC000878954798 662910977 /nfs/dbraw/zinc/91/09/77/662910977.db2.gz GKDMULUKHHEEBD-UHFFFAOYSA-N 1 0 375.270 2.703 20 0 GFADRO COC(=O)c1cc(NC(=O)N2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)ccc1Br ZINC000879107047 662917051 /nfs/dbraw/zinc/91/70/51/662917051.db2.gz RHCBBOMBXMRKQB-NHYWBVRUSA-N 1 0 396.285 2.794 20 0 GFADRO O=C(Cc1csc(-c2sccc2Br)n1)NCC[NH+]1CCC1 ZINC000879269471 662922026 /nfs/dbraw/zinc/92/20/26/662922026.db2.gz LJDQDLQVZAIZMS-UHFFFAOYSA-N 1 0 386.340 2.999 20 0 GFADRO CNC(=O)NC[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1ccccc1Br ZINC000879335195 662923540 /nfs/dbraw/zinc/92/35/40/662923540.db2.gz IWUCDQGUPUZMPD-ZDUSSCGKSA-N 1 0 397.317 2.561 20 0 GFADRO COCCN(CC1CC[NH+](C)CC1)C(=O)Nc1ncc(C(F)(F)F)s1 ZINC000879347009 662923812 /nfs/dbraw/zinc/92/38/12/662923812.db2.gz NFFJVXVUZOZSPO-UHFFFAOYSA-N 1 0 380.436 2.984 20 0 GFADRO CC(C)([NH2+]Cc1nnnn1-c1ccccc1Br)[C@H]1CCCCO1 ZINC000879409280 662925515 /nfs/dbraw/zinc/92/55/15/662925515.db2.gz BVNXSFVHRUAATB-CQSZACIVSA-N 1 0 380.290 2.862 20 0 GFADRO O=C(C[N@@H+]1CC[C@@H]2CSC[C@H]2C1)Nc1cc(Cl)ccc1-n1cncn1 ZINC000879560017 662929390 /nfs/dbraw/zinc/92/93/90/662929390.db2.gz DLMRYMLZMOWGGV-CHWSQXEVSA-N 1 0 377.901 2.544 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN([C@H]3CCN(c4cccc(Br)c4)C3=O)CC[C@@H]21 ZINC000879582167 662929997 /nfs/dbraw/zinc/92/99/97/662929997.db2.gz QPRMUTIWAHLROV-COXVUDFISA-N 1 0 378.314 2.580 20 0 GFADRO Cn1nc(Br)cc1NC(=O)N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC000879643688 662933082 /nfs/dbraw/zinc/93/30/82/662933082.db2.gz VBYCKMXEJUFHMV-CQSZACIVSA-N 1 0 392.301 2.921 20 0 GFADRO Cn1nc(Br)cc1NC(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000879645579 662933849 /nfs/dbraw/zinc/93/38/49/662933849.db2.gz XSIYHUZAAMXQIQ-LBPRGKRZSA-N 1 0 384.253 2.746 20 0 GFADRO C[C@@H](C[N@@H+]1CC[C@@](CNC(=O)OC(C)(C)C)(C(C)(C)C)C1)S(C)(=O)=O ZINC000879652669 662934143 /nfs/dbraw/zinc/93/41/43/662934143.db2.gz CCGIZRKFOXNCPM-KSSFIOAISA-N 1 0 376.563 2.682 20 0 GFADRO OCCC1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@H](O)COc1ccc(Br)cc1 ZINC000879782314 662939386 /nfs/dbraw/zinc/93/93/86/662939386.db2.gz UDLFRAUJWGAFQI-YQAQFAQXSA-N 1 0 384.314 2.814 20 0 GFADRO CC[N@@H+]1CC[C@@H]1CNC(=O)Nc1cc(N2CCOCC2)ccc1Br ZINC000879803474 662939784 /nfs/dbraw/zinc/93/97/84/662939784.db2.gz PWKWVADVGMSBBX-CQSZACIVSA-N 1 0 397.317 2.501 20 0 GFADRO Cc1csc([C@H]2CC[N@H+](C[C@@](C)(O)c3ccc(S(C)(=O)=O)cc3)C2)n1 ZINC000880010272 662945149 /nfs/dbraw/zinc/94/51/49/662945149.db2.gz WEWXORQYFHLURB-KBXCAEBGSA-N 1 0 380.535 2.552 20 0 GFADRO C[NH+](C)[C@@H]1[C@H]2CN(C(=O)c3ccc(OC(F)F)c(Br)c3)C[C@H]21 ZINC000880218090 662955045 /nfs/dbraw/zinc/95/50/45/662955045.db2.gz GPGCTIBLGVUODV-IWIIMEHWSA-N 1 0 375.213 2.683 20 0 GFADRO CCOC(=O)c1sc([C@@H]2CC[N@H+](CCn3c(C)csc3=O)C2)nc1C ZINC000880324124 662957992 /nfs/dbraw/zinc/95/79/92/662957992.db2.gz ZWEGWWNMXNICDV-CYBMUJFWSA-N 1 0 381.523 2.649 20 0 GFADRO CC(C)[NH+]1CCC(NC(=O)CN(C)Cc2cscc2Br)CC1 ZINC000880359404 662958479 /nfs/dbraw/zinc/95/84/79/662958479.db2.gz KINWUFNXCAJIAZ-UHFFFAOYSA-N 1 0 388.375 2.931 20 0 GFADRO CC[C@@H]([NH2+]Cc1nnnn1-c1ccccc1Br)[C@@H]1CCCOC1 ZINC000880465765 662960431 /nfs/dbraw/zinc/96/04/31/662960431.db2.gz IFFPNNDTULSWNU-TZMCWYRMSA-N 1 0 380.290 2.720 20 0 GFADRO COc1cc(Br)ccc1NC(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000880627596 662964711 /nfs/dbraw/zinc/96/47/11/662964711.db2.gz JBKLNQYFJWLQPU-CQSZACIVSA-N 1 0 398.301 2.833 20 0 GFADRO O=C(Nc1cccc(F)c1Br)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000881134837 662982366 /nfs/dbraw/zinc/98/23/66/662982366.db2.gz AWOMSLVOOXUBRY-GFCCVEGCSA-N 1 0 386.265 2.963 20 0 GFADRO CC[C@H](C)[N@H+](C)CCNC(=O)Nc1cc(Br)cc2c1NC(=O)CO2 ZINC000881269827 662986814 /nfs/dbraw/zinc/98/68/14/662986814.db2.gz KUSIQYNCDJADKG-JTQLQIEISA-N 1 0 399.289 2.632 20 0 GFADRO C[NH+](C)CCc1cn(C[C@@](C)(O)c2ccc(Br)cc2Cl)nn1 ZINC000881423560 662993583 /nfs/dbraw/zinc/99/35/83/662993583.db2.gz BKYZPTDMFOAAMU-OAHLLOKOSA-N 1 0 387.709 2.706 20 0 GFADRO O=C(Cc1ccc(Br)c(F)c1)N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000881475652 662995561 /nfs/dbraw/zinc/99/55/61/662995561.db2.gz ZEQMJKWNCOJSEL-HNNXBMFYSA-N 1 0 399.304 2.890 20 0 GFADRO CC(C)n1ncc(C(=O)N2CCN(c3cc[nH+]cc3)[C@@H](C)C2)c1Br ZINC000881629781 662998284 /nfs/dbraw/zinc/99/82/84/662998284.db2.gz JUBLBMDSVIOSKO-ZDUSSCGKSA-N 1 0 392.301 2.972 20 0 GFADRO O=c1c(Br)c(NCCC[NH+]2CCCCC2)cnn1CC(F)(F)F ZINC000881775428 663002702 /nfs/dbraw/zinc/00/27/02/663002702.db2.gz FDURRTABEFSNQT-UHFFFAOYSA-N 1 0 397.239 2.856 20 0 GFADRO C[N@@H+]1CCC[C@H]2CN(S(=O)(=O)c3cnc(Cl)cc3C(F)(F)F)CC[C@@H]21 ZINC000881994531 663012616 /nfs/dbraw/zinc/01/26/16/663012616.db2.gz AZUDVPPRYDIXFP-JQWIXIFHSA-N 1 0 397.850 2.859 20 0 GFADRO N=[S@](=O)(c1ccc(N2CC[NH+](C[C@H]3CCOC3)CC2)cc1)C(F)(F)F ZINC000882060715 663015454 /nfs/dbraw/zinc/01/54/54/663015454.db2.gz SNDUEYWMSQOFHZ-SHZVTRLKSA-N 1 0 377.432 2.771 20 0 GFADRO O=S(=O)(CC[C@@H]1CC1(Cl)Cl)N1CCCN(c2cc[nH+]cc2)CC1 ZINC000882486077 663028868 /nfs/dbraw/zinc/02/88/68/663028868.db2.gz YBRHPOVNCPKBOX-CYBMUJFWSA-N 1 0 378.325 2.507 20 0 GFADRO CC1([NH+]2CCC2)CCN(C(=O)Cc2cccc(I)c2)CC1 ZINC000882504973 663029465 /nfs/dbraw/zinc/02/94/65/663029465.db2.gz BYWDIAQTEILGCR-UHFFFAOYSA-N 1 0 398.288 2.921 20 0 GFADRO O=C(NCc1cccc(Br)c1)N1CCC([NH2+]C2CCOCC2)CC1 ZINC000883231718 663051742 /nfs/dbraw/zinc/05/17/42/663051742.db2.gz QMALZGFCMUCXLE-UHFFFAOYSA-N 1 0 396.329 2.892 20 0 GFADRO Cc1nn(C)c(N2CCOCC2)c1C[NH2+]CCc1sccc1Br ZINC000883283231 663052194 /nfs/dbraw/zinc/05/21/94/663052194.db2.gz WDBIXCAPBXJLON-UHFFFAOYSA-N 1 0 399.358 2.721 20 0 GFADRO C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]CC[C@H]1CCCS1(=O)=O ZINC000883306488 663053228 /nfs/dbraw/zinc/05/32/28/663053228.db2.gz WZMJHJIJFJVKAA-WMLDXEAASA-N 1 0 386.945 2.634 20 0 GFADRO CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]C[C@@H](O)C(F)(F)C(F)(F)F)cc1 ZINC000883359581 663053817 /nfs/dbraw/zinc/05/38/17/663053817.db2.gz JRZISRGXRXNSCI-BXKDBHETSA-N 1 0 390.374 2.657 20 0 GFADRO CS(=O)(=O)[C@H]1C[C@H]([NH2+][C@@H](c2cccc(Br)c2)[C@H]2CCOC2)C1 ZINC000883376303 663054195 /nfs/dbraw/zinc/05/41/95/663054195.db2.gz IGQSSEIQMRPEDF-TUUVXOQKSA-N 1 0 388.327 2.692 20 0 GFADRO O=C1Nc2ccc(Br)cc2CC[C@@H]1[NH2+]Cc1cnn(CC(F)F)c1 ZINC000883386694 663054612 /nfs/dbraw/zinc/05/46/12/663054612.db2.gz LKGNNQTWBFYEPZ-AWEZNQCLSA-N 1 0 399.239 2.954 20 0 GFADRO C[NH2+]C[C@H]1CCCCN1Cc1nc(Cc2cccc(Br)c2)no1 ZINC000883450043 663055391 /nfs/dbraw/zinc/05/53/91/663055391.db2.gz YYTMUUWTQNRYQO-OAHLLOKOSA-N 1 0 379.302 2.997 20 0 GFADRO Cc1cc(Br)c(Cl)cc1S(=O)(=O)N1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000883466218 663055539 /nfs/dbraw/zinc/05/55/39/663055539.db2.gz IIMXNOUNLVCULT-ZJUUUORDSA-N 1 0 381.723 2.769 20 0 GFADRO [NH3+]CCN(CC(F)(F)F)S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000883471883 663055606 /nfs/dbraw/zinc/05/56/06/663055606.db2.gz CNZBAMOARDUMJN-UHFFFAOYSA-N 1 0 384.729 2.871 20 0 GFADRO [NH3+]Cc1nc2c(s1)CCN(S(=O)(=O)c1ccc(F)cc1C(F)(F)F)C2 ZINC000883481384 663055904 /nfs/dbraw/zinc/05/59/04/663055904.db2.gz JOOVJDAXQVRCNT-UHFFFAOYSA-N 1 0 395.403 2.507 20 0 GFADRO [NH3+]Cc1nc2c(s1)CCN(C(=O)Nc1cc3c(cc1Cl)OCCO3)C2 ZINC000883526591 663056699 /nfs/dbraw/zinc/05/66/99/663056699.db2.gz RXQBVFKRKFDDHT-UHFFFAOYSA-N 1 0 380.857 2.617 20 0 GFADRO Cc1cc(Br)ncc1NC(=O)N1CCc2sc(C[NH3+])nc2C1 ZINC000883545683 663056881 /nfs/dbraw/zinc/05/68/81/663056881.db2.gz CPOHMNKLTJZYRP-UHFFFAOYSA-N 1 0 382.287 2.658 20 0 GFADRO C[C@@]1(CCNC(=O)N2CCC[C@@H]([NH2+]C3CCOCC3)C2)CC1(Cl)Cl ZINC000883729129 663059815 /nfs/dbraw/zinc/05/98/15/663059815.db2.gz JIJGRONEGFGIBJ-GDBMZVCRSA-N 1 0 378.344 2.903 20 0 GFADRO C[C@]1(CCNC(=O)N2CCC[C@@H]([NH2+]C3CCOCC3)C2)CC1(Cl)Cl ZINC000883729132 663059822 /nfs/dbraw/zinc/05/98/22/663059822.db2.gz JIJGRONEGFGIBJ-ZBFHGGJFSA-N 1 0 378.344 2.903 20 0 GFADRO CO[C@H]1C[C@H](CNC(=O)N(CC[NH+](C)C)Cc2ccc(Br)cc2)C1 ZINC000883920445 663062059 /nfs/dbraw/zinc/06/20/59/663062059.db2.gz XVCJNSOHJVVFRT-JCNLHEQBSA-N 1 0 398.345 2.947 20 0 GFADRO [NH3+][C@@H]1CCN(C(=O)CCc2cc(Br)c(Br)s2)C1 ZINC000884008332 663063855 /nfs/dbraw/zinc/06/38/55/663063855.db2.gz LYHUCTYWNZXKHU-SSDOTTSWSA-N 1 0 382.121 2.765 20 0 GFADRO CCOc1cc(Br)c(NC(=O)[C@@H]([NH3+])CCOC)cc1OCC ZINC000884100536 663065110 /nfs/dbraw/zinc/06/51/10/663065110.db2.gz XWZGFOVRGFLWTB-NSHDSACASA-N 1 0 375.263 2.549 20 0 GFADRO CCc1c(NC(=O)[C@H]([NH3+])CCOC)n[nH]c1-c1ccc(Br)cc1 ZINC000884135528 663065626 /nfs/dbraw/zinc/06/56/26/663065626.db2.gz MLUGTLUBACLMDK-CYBMUJFWSA-N 1 0 381.274 2.704 20 0 GFADRO [NH3+][C@H](C(=O)Nc1ccc(N2CCOCC2)cc1)c1ccc(Br)cc1 ZINC000884176040 663066545 /nfs/dbraw/zinc/06/65/45/663066545.db2.gz SJYCQUUSNQXVSU-KRWDZBQOSA-N 1 0 390.281 2.924 20 0 GFADRO [NH3+][C@@H](C(=O)Nc1cccc(N2CCOCC2)c1)c1ccc(Br)cc1 ZINC000884197341 663066937 /nfs/dbraw/zinc/06/69/37/663066937.db2.gz QRMDBJCPTDRWQP-QGZVFWFLSA-N 1 0 390.281 2.924 20 0 GFADRO COCC[C@H]([NH3+])C(=O)N[C@@H](Cc1ccccn1)c1ccc(Br)cc1 ZINC000884308699 663068615 /nfs/dbraw/zinc/06/86/15/663068615.db2.gz AGTAIOVVCXKCQH-IRXDYDNUSA-N 1 0 392.297 2.608 20 0 GFADRO C[C@@H](NC(=O)C(=O)NC[C@@H]1C[NH2+]CCC1(F)F)c1cccc(Cl)c1Cl ZINC000884532022 663072215 /nfs/dbraw/zinc/07/22/15/663072215.db2.gz AGSFTIJVSDQKSB-ZJUUUORDSA-N 1 0 394.249 2.532 20 0 GFADRO Cc1[nH]c(C2CCN(c3ncnc4c3c(Br)nn4C)CC2)[nH+]c1C ZINC000884708087 663073834 /nfs/dbraw/zinc/07/38/34/663073834.db2.gz MGQHHJYKTWZQAJ-UHFFFAOYSA-N 1 0 390.289 2.850 20 0 GFADRO Cc1cc(Br)ccc1CS(=O)(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000884962277 663079897 /nfs/dbraw/zinc/07/98/97/663079897.db2.gz VAUMGMGQPKOYOY-HOTGVXAUSA-N 1 0 387.343 2.804 20 0 GFADRO C[N@@H+]1CC[C@H](CC(=O)N2CCC[C@](O)(c3ccc(Br)cc3)C2)C1 ZINC000884968336 663080621 /nfs/dbraw/zinc/08/06/21/663080621.db2.gz AIRMNIQPEGHTCH-RDTXWAMCSA-N 1 0 381.314 2.601 20 0 GFADRO Cc1cc(Br)ccc1CS(=O)(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000885281222 663088128 /nfs/dbraw/zinc/08/81/28/663088128.db2.gz XBNOIRGEOHXWHO-JNSHFYNHSA-N 1 0 375.332 2.517 20 0 GFADRO C[NH+](C)CCn1nccc1C(=O)N1CC(Cc2ccc(Br)cc2)C1 ZINC000885687500 663095148 /nfs/dbraw/zinc/09/51/48/663095148.db2.gz YJOBRFLAAYUOIB-UHFFFAOYSA-N 1 0 391.313 2.522 20 0 GFADRO O=C(NC[C@@H]1CC[N@@H+]1C1CCOCC1)c1[nH]c2ccccc2c1Br ZINC000885864033 663099534 /nfs/dbraw/zinc/09/95/34/663099534.db2.gz YFUNUVNBXOVWHM-ZDUSSCGKSA-N 1 0 392.297 2.914 20 0 GFADRO O=C(CCc1ccc(Br)cc1F)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000885866516 663099597 /nfs/dbraw/zinc/09/95/97/663099597.db2.gz XWRJSVLAHGMPPK-MRXNPFEDSA-N 1 0 399.304 2.890 20 0 GFADRO O=C(C[C@@H](O)c1cc(Cl)cc(Cl)c1)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000885876446 663100013 /nfs/dbraw/zinc/10/00/13/663100013.db2.gz RAHHSHYXSVCHRP-DLBZAZTESA-N 1 0 387.307 2.786 20 0 GFADRO O=C(NC[C@@H]1CC[N@@H+]1C1CCOCC1)c1cc(F)c(F)cc1Br ZINC000885875708 663100046 /nfs/dbraw/zinc/10/00/46/663100046.db2.gz KKTMNKFSRYBHGU-NSHDSACASA-N 1 0 389.240 2.710 20 0 GFADRO O=C(NC[C@H]1CC[N@@H+]1C1CCOCC1)c1cn2cc(Cl)cc(Cl)c2n1 ZINC000885883691 663100319 /nfs/dbraw/zinc/10/03/19/663100319.db2.gz YYEFEBXCCKZWIF-CYBMUJFWSA-N 1 0 383.279 2.624 20 0 GFADRO O=C(NC[C@H]1CC[N@@H+]1C1CCOCC1)c1ccc(SC(F)(F)F)nc1 ZINC000885893123 663100741 /nfs/dbraw/zinc/10/07/41/663100741.db2.gz KJRCKUFYFLPXAA-CYBMUJFWSA-N 1 0 375.416 2.677 20 0 GFADRO C[C@](O)(C[N@@H+]1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1)C(F)F ZINC000886051995 663102786 /nfs/dbraw/zinc/10/27/86/663102786.db2.gz IVZBILKAMSFCKP-BMIGLBTASA-N 1 0 392.244 2.511 20 0 GFADRO C[C@@H](Oc1ccc(Cl)cc1Cl)[C@H](C)[NH2+]Cc1nnc2c(=O)[nH]ccn12 ZINC000886703611 663115924 /nfs/dbraw/zinc/11/59/24/663115924.db2.gz YZNKOMNPBRGEBN-VHSXEESVSA-N 1 0 382.251 2.670 20 0 GFADRO C[C@H](C(=O)NC1(c2ncc(Br)cn2)CCC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000886836652 663121272 /nfs/dbraw/zinc/12/12/72/663121272.db2.gz JPSOZBOVCYRMES-FRRDWIJNSA-N 1 0 381.318 2.996 20 0 GFADRO O=C(NC1(c2ncc(Br)cn2)CCC1)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC000886842105 663122426 /nfs/dbraw/zinc/12/24/26/663122426.db2.gz IBOVJKBBUDTCTD-KBPBESRZSA-N 1 0 379.302 2.751 20 0 GFADRO Cc1cc(Cl)cc(C)c1S(=O)(=O)N1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000886886279 663123457 /nfs/dbraw/zinc/12/34/57/663123457.db2.gz BZSSNEXZCXGAJQ-SJORKVTESA-N 1 0 386.945 2.864 20 0 GFADRO O=S(=O)(c1sccc1Br)N1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886899523 663124199 /nfs/dbraw/zinc/12/41/99/663124199.db2.gz NGNCPKIMPJBHGA-CYBMUJFWSA-N 1 0 379.345 2.665 20 0 GFADRO COC[C@H]([NH2+]C[C@H](O)COc1ccc(Cl)cc1Cl)[C@H]1CCCOC1 ZINC000886905931 663124353 /nfs/dbraw/zinc/12/43/53/663124353.db2.gz OSJTUNWHILWDIC-NOLJZWGESA-N 1 0 378.296 2.764 20 0 GFADRO COC[C@H]([NH2+]Cc1ccc(OC)c(OC)c1Br)[C@@H]1CCCOC1 ZINC000886908618 663124523 /nfs/dbraw/zinc/12/45/23/663124523.db2.gz WCNMGTHUYQLGIG-KGLIPLIRSA-N 1 0 388.302 2.998 20 0 GFADRO COC[C@H]([NH2+][C@H]1CCN(c2cccc(Br)c2)C1=O)[C@@H]1CCCOC1 ZINC000886915774 663124997 /nfs/dbraw/zinc/12/49/97/663124997.db2.gz JSOSBKVCUDKGSL-COXVUDFISA-N 1 0 397.313 2.586 20 0 GFADRO CCCc1cnc(NC(=O)C(=O)N(CC[NH3+])Cc2cccc(Cl)c2)s1 ZINC000887031504 663129603 /nfs/dbraw/zinc/12/96/03/663129603.db2.gz PJROHSNGQWINAL-UHFFFAOYSA-N 1 0 380.901 2.675 20 0 GFADRO C[C@@H]1CO[C@@H](C(=O)Nc2cc(Br)ccc2N2CC[NH+](C)CC2)C1 ZINC000887743946 663159924 /nfs/dbraw/zinc/15/99/24/663159924.db2.gz MNCLSHXDRQAHED-BLLLJJGKSA-N 1 0 382.302 2.564 20 0 GFADRO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)c1cn(C)nc1Br ZINC000889433959 663245240 /nfs/dbraw/zinc/24/52/40/663245240.db2.gz LOJILOBPBPDZLH-UHFFFAOYSA-N 1 0 399.255 2.919 20 0 GFADRO O=C([C@@H]1C[C@H]1c1cccc(Br)c1)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000889749193 663262968 /nfs/dbraw/zinc/26/29/68/663262968.db2.gz FZMLRGDMFQTFES-MLHJIOFPSA-N 1 0 393.325 2.610 20 0 GFADRO CC(C)(C(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO)c1ccccc1Br ZINC000889755285 663263489 /nfs/dbraw/zinc/26/34/89/663263489.db2.gz HTOKWMRHEOXFJX-DLBZAZTESA-N 1 0 395.341 2.784 20 0 GFADRO C[C@H](C(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO)c1ccc(Br)cc1 ZINC000889760007 663264171 /nfs/dbraw/zinc/26/41/71/663264171.db2.gz AGCXSQZANABUOV-IAOVAPTHSA-N 1 0 381.314 2.610 20 0 GFADRO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)C(=O)Nc1cncc(Cl)c1 ZINC000889765548 663265173 /nfs/dbraw/zinc/26/51/73/663265173.db2.gz ALNWNRYZAGJXJZ-CQSZACIVSA-N 1 0 378.885 2.688 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(=O)Nc2cccc(F)c2Br)C1 ZINC000889997220 663279963 /nfs/dbraw/zinc/27/99/63/663279963.db2.gz JLGQJVBKMJGOJB-GHMZBOCLSA-N 1 0 386.265 2.516 20 0 GFADRO C[C@H](CCN1CC[NH+](C)CC1)NC(=O)c1sc(Cl)nc1C(F)(F)F ZINC000890010012 663280632 /nfs/dbraw/zinc/28/06/32/663280632.db2.gz WLRZRVCUSZPNJJ-SECBINFHSA-N 1 0 384.855 2.571 20 0 GFADRO Cc1ccccc1[C@@H]([C@H](C)NC(=O)c1cn(C)nc1Br)[NH+](C)C ZINC000890125986 663284916 /nfs/dbraw/zinc/28/49/16/663284916.db2.gz NPIOWCPTOGFRFW-SWLSCSKDSA-N 1 0 379.302 2.912 20 0 GFADRO Cn1ncc(Br)c1CC(=O)N1c2ccccc2CC[C@@H]1C[NH+](C)C ZINC000891089903 663324584 /nfs/dbraw/zinc/32/45/84/663324584.db2.gz DSQUUZMFUUINAV-CQSZACIVSA-N 1 0 391.313 2.635 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)NCc2cc(F)ccc2Br)C[C@@H]1C(F)(F)F ZINC000891394067 663338211 /nfs/dbraw/zinc/33/82/11/663338211.db2.gz GVGRGRXSCJVMJP-KOLCDFICSA-N 1 0 398.198 2.867 20 0 GFADRO CCN(C(=O)NC[C@@H]1CCN(c2cccc(Br)c2)C1)[C@@H]1CC[NH2+]C1 ZINC000891426584 663339420 /nfs/dbraw/zinc/33/94/20/663339420.db2.gz SGFNFOGYWMIXII-WMLDXEAASA-N 1 0 395.345 2.669 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)NCc2ccccc2Br)C[C@@H]1C(F)(F)F ZINC000891456736 663339978 /nfs/dbraw/zinc/33/99/78/663339978.db2.gz SUVYITLVJRDKLB-QWRGUYRKSA-N 1 0 380.208 2.728 20 0 GFADRO COc1cc(CNC(=O)N[C@@]23CCC[C@@H]2[NH2+]CC3)cc(Br)c1OC ZINC000891465651 663340354 /nfs/dbraw/zinc/34/03/54/663340354.db2.gz PKQZMXFLIAVNOA-WMLDXEAASA-N 1 0 398.301 2.550 20 0 GFADRO COc1cc(Br)c(CNC(=O)N2CCC[C@@H]3[NH2+]CC[C@@H]32)cc1OC ZINC000891494048 663341337 /nfs/dbraw/zinc/34/13/37/663341337.db2.gz FWOZLBIWHFNJEP-KBPBESRZSA-N 1 0 398.301 2.502 20 0 GFADRO CCC1([NH3+])CCN(C(=O)N[C@H]2CCN(c3ccc(Br)cc3)C2)CC1 ZINC000891506437 663341878 /nfs/dbraw/zinc/34/18/78/663341878.db2.gz GAIGFTZSZXQTKA-HNNXBMFYSA-N 1 0 395.345 2.941 20 0 GFADRO CC(C)[NH+]1CCC(NC(=O)N[C@@](C)(CO)c2cccc(Br)c2)CC1 ZINC000891522954 663342299 /nfs/dbraw/zinc/34/22/99/663342299.db2.gz UIIPRIYACJOEOU-SFHVURJKSA-N 1 0 398.345 2.829 20 0 GFADRO CO[C@H](CNC(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1)c1cccc(Cl)c1 ZINC000891617525 663345617 /nfs/dbraw/zinc/34/56/17/663345617.db2.gz URUKNBGNPGVRQP-IACUBPJLSA-N 1 0 379.810 2.806 20 0 GFADRO Cc1[nH+]ccc(NCC[C@](O)(c2nccn2C)C(F)(F)F)c1Br ZINC000891830030 663352065 /nfs/dbraw/zinc/35/20/65/663352065.db2.gz UJCVZAFDURZIEY-ZDUSSCGKSA-N 1 0 393.207 2.560 20 0 GFADRO CC[C@H]([NH3+])CNC(=O)N1CC2(CCOCC2)c2ccc(Br)cc21 ZINC000892142666 663363370 /nfs/dbraw/zinc/36/33/70/663363370.db2.gz BDFCLCKDKULPOZ-ZDUSSCGKSA-N 1 0 382.302 2.764 20 0 GFADRO Cc1c(Br)cccc1CNC(=O)N1CCc2sc(C[NH3+])nc2C1 ZINC000892231708 663366525 /nfs/dbraw/zinc/36/65/25/663366525.db2.gz AXUYBKONWVAGBI-UHFFFAOYSA-N 1 0 395.326 2.941 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)N[C@@H]3[C@@H]4Cc5c(cccc5Br)[C@@H]43)C[C@H]21 ZINC000892322696 663369243 /nfs/dbraw/zinc/36/92/43/663369243.db2.gz OBWPFCGRVWTMPH-HHHHHFJKSA-N 1 0 390.325 2.856 20 0 GFADRO O=C(N[C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000892322296 663369255 /nfs/dbraw/zinc/36/92/55/663369255.db2.gz KGSKNEPLTLGGIM-NOCIGQNYSA-N 1 0 390.325 2.872 20 0 GFADRO CCOC(=O)c1ncc(Br)c(N2CCCC[C@@H]([NH+]3CCCC3)C2)n1 ZINC000892409278 663372575 /nfs/dbraw/zinc/37/25/75/663372575.db2.gz ABWLERVEEVUCGH-CYBMUJFWSA-N 1 0 397.317 2.871 20 0 GFADRO O=C(N[C@H]1[C@@H]2Cc3cc(Br)ccc3[C@@H]21)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000892425412 663373151 /nfs/dbraw/zinc/37/31/51/663373151.db2.gz BDUSIHLFBYTRGI-ALYAQQCSSA-N 1 0 376.298 2.623 20 0 GFADRO O=C(NCc1ccc(Br)cn1)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000892615617 663378814 /nfs/dbraw/zinc/37/88/14/663378814.db2.gz FDKFOSVOMNFDOX-KBPBESRZSA-N 1 0 381.318 2.765 20 0 GFADRO CC1(C)C[NH2+][C@H]1C1CCN(C(=O)NCc2ccc(Br)cn2)CC1 ZINC000892617607 663378908 /nfs/dbraw/zinc/37/89/08/663378908.db2.gz WZVSIZPBEQVNGB-HNNXBMFYSA-N 1 0 381.318 2.764 20 0 GFADRO O=S1CCC([NH2+]CC2(c3cccc(Br)c3)CCOCC2)CC1 ZINC000892632280 663379359 /nfs/dbraw/zinc/37/93/59/663379359.db2.gz MVOLSGWJHKFOES-UHFFFAOYSA-N 1 0 386.355 2.998 20 0 GFADRO C[C@@H]([NH2+]C1CCN(c2nc3ccccc3s2)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000892682667 663381264 /nfs/dbraw/zinc/38/12/64/663381264.db2.gz BJZRMXSKJIPRDG-KGLIPLIRSA-N 1 0 379.551 2.678 20 0 GFADRO Cc1ncc(I)c(N2CC[C@@H](C[N@H+](C)CC3CC3)C2)n1 ZINC000892763126 663383854 /nfs/dbraw/zinc/38/38/54/663383854.db2.gz JKFBTENIQBNVRE-ZDUSSCGKSA-N 1 0 386.281 2.558 20 0 GFADRO CN(Cc1ccccc1Br)C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000892784324 663384678 /nfs/dbraw/zinc/38/46/78/663384678.db2.gz HPTYAXZKNBONDC-HNNXBMFYSA-N 1 0 396.329 2.749 20 0 GFADRO CC(=O)N1CCN(c2ccccc2C[NH2+]C[C@@H]2C[C@@]2(C)Br)CC1 ZINC000892797565 663385126 /nfs/dbraw/zinc/38/51/26/663385126.db2.gz UKSUBRINWVMFNM-FUHWJXTLSA-N 1 0 380.330 2.618 20 0 GFADRO COC(=O)c1sccc1C[NH2+]C[C@H](O)c1cc(Cl)c2c(c1)OCCO2 ZINC000892992025 663392453 /nfs/dbraw/zinc/39/24/53/663392453.db2.gz LSCBUYRMMARQTQ-ZDUSSCGKSA-N 1 0 383.853 2.783 20 0 GFADRO Oc1cc(Br)cnc1C[NH2+]CCNc1nccc(C(F)(F)F)n1 ZINC000893013819 663393152 /nfs/dbraw/zinc/39/31/52/663393152.db2.gz MFEAHKXGGRYGDM-UHFFFAOYSA-N 1 0 392.179 2.560 20 0 GFADRO CCC[NH+]1CCC(NC(=O)N[C@](C)(CO)c2cccc(Br)c2)CC1 ZINC000893250021 663403972 /nfs/dbraw/zinc/40/39/72/663403972.db2.gz WORSJHWKWBEWFJ-GOSISDBHSA-N 1 0 398.345 2.830 20 0 GFADRO OCC[N@H+](Cc1cc(Br)cs1)[C@@H]1CCC2(C[C@H]1F)OCCO2 ZINC000894022764 663437913 /nfs/dbraw/zinc/43/79/13/663437913.db2.gz CVPGEDRKCYJCIN-ZIAGYGMSSA-N 1 0 394.306 2.939 20 0 GFADRO CC(=O)Nc1cc(Br)ccc1C[N@@H+](C)[C@H](C)CN1CCOCC1 ZINC000894111503 663442974 /nfs/dbraw/zinc/44/29/74/663442974.db2.gz HJEHDDNMGCKHJF-CYBMUJFWSA-N 1 0 384.318 2.560 20 0 GFADRO Cn1cc(C[NH2+]C[C@@H]2CCN(c3ccccc3)C2)c(I)n1 ZINC000894171821 663446618 /nfs/dbraw/zinc/44/66/18/663446618.db2.gz BCTIWTUAIZDOMC-ZDUSSCGKSA-N 1 0 396.276 2.641 20 0 GFADRO Cn1cc(C[NH2+]CCCOCCc2ccccc2)c(I)n1 ZINC000894195204 663447922 /nfs/dbraw/zinc/44/79/22/663447922.db2.gz GYIUQKAVVWAZSN-UHFFFAOYSA-N 1 0 399.276 2.764 20 0 GFADRO CN(CC[NH2+]Cc1sc(N2CCOCC2)nc1Cl)C(=O)OC(C)(C)C ZINC000894212705 663448935 /nfs/dbraw/zinc/44/89/35/663448935.db2.gz GPOXMGQDZKSIBK-UHFFFAOYSA-N 1 0 390.937 2.590 20 0 GFADRO Cc1ccnc(N)c1C[NH2+]CCCNC(=O)c1ccc(Br)cc1 ZINC000894216235 663449380 /nfs/dbraw/zinc/44/93/80/663449380.db2.gz LCKFDQNQONNABE-UHFFFAOYSA-N 1 0 377.286 2.644 20 0 GFADRO C[C@H](O)C[C@H](C[NH2+]Cc1c(I)cnn1C)c1ccccc1 ZINC000894339665 663455710 /nfs/dbraw/zinc/45/57/10/663455710.db2.gz GOSGSECGKNUIFG-GXTWGEPZSA-N 1 0 399.276 2.669 20 0 GFADRO C[C@@H](NC(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO)c1ccc(Br)cc1 ZINC000894456162 663462735 /nfs/dbraw/zinc/46/27/35/663462735.db2.gz MKIBWPBKROPDHD-KBRIMQKVSA-N 1 0 396.329 2.751 20 0 GFADRO COc1ccc(C[NH2+]C[C@H](CO)Cc2cc(Br)ccc2OC)nc1 ZINC000894766983 663480503 /nfs/dbraw/zinc/48/05/03/663480503.db2.gz YFRAEMDLTXMPPK-CYBMUJFWSA-N 1 0 395.297 2.802 20 0 GFADRO COc1ccc(Br)cc1C[C@H](CO)C[NH2+]Cc1nnc(C)s1 ZINC000894768925 663480576 /nfs/dbraw/zinc/48/05/76/663480576.db2.gz PAWRDLXFEPDEGZ-NSHDSACASA-N 1 0 386.315 2.558 20 0 GFADRO CO[C@@](C)(C[NH2+]Cc1cn(C)nc1I)c1ccccc1 ZINC000894899218 663487317 /nfs/dbraw/zinc/48/73/17/663487317.db2.gz SKCPCWSHEQGNPN-HNNXBMFYSA-N 1 0 385.249 2.676 20 0 GFADRO Cc1ccnc(N)c1C[NH2+]C[C@H](CO)Cc1ccc(F)c(Br)c1 ZINC000894927913 663488869 /nfs/dbraw/zinc/48/88/69/663488869.db2.gz MDWCVWFZVPCLME-CYBMUJFWSA-N 1 0 382.277 2.815 20 0 GFADRO CC(=O)Nc1cc(Br)ccc1C[NH2+]C[C@H]1CC[C@H](C(N)=O)CC1 ZINC000894971878 663492718 /nfs/dbraw/zinc/49/27/18/663492718.db2.gz OBDDXNZNANELCX-JOCQHMNTSA-N 1 0 382.302 2.789 20 0 GFADRO COc1cccc([C@@H]2C[C@H]2C[NH2+]Cc2cn(C)nc2I)c1 ZINC000895012639 663495161 /nfs/dbraw/zinc/49/51/61/663495161.db2.gz SGSHKDNICZRXHZ-WFASDCNBSA-N 1 0 397.260 2.927 20 0 GFADRO Cn1ncc(I)c1C[NH2+]C[C@H]1CC12CCSCC2 ZINC000895032026 663496332 /nfs/dbraw/zinc/49/63/32/663496332.db2.gz VQHOBROKONJWJU-SNVBAGLBSA-N 1 0 377.295 2.648 20 0 GFADRO CCC1([NH+]2CCCCC2)CCN(c2nc(Cl)ccc2S(N)(=O)=O)CC1 ZINC000895137376 663500562 /nfs/dbraw/zinc/50/05/62/663500562.db2.gz OOGIYILBQHCOJN-UHFFFAOYSA-N 1 0 386.949 2.617 20 0 GFADRO C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)c1nc(F)ccc1Br ZINC000895261324 663505600 /nfs/dbraw/zinc/50/56/00/663505600.db2.gz GPJKOGFZWRPNEF-LLVKDONJSA-N 1 0 379.233 2.729 20 0 GFADRO COc1cc(C[NH2+][C@H]2C(=O)NCC2(C)C)cc(Br)c1OC(F)F ZINC000895316440 663507961 /nfs/dbraw/zinc/50/79/61/663507961.db2.gz JIRNFSVHNYXACI-LBPRGKRZSA-N 1 0 393.228 2.673 20 0 GFADRO C[C@@H]([NH2+][C@H](CO)c1cccc(Cl)c1Cl)C1CCN(S(C)(=O)=O)CC1 ZINC000895448923 663514773 /nfs/dbraw/zinc/51/47/73/663514773.db2.gz MHBFBIIORFEEBF-IAQYHMDHSA-N 1 0 395.352 2.677 20 0 GFADRO CCOc1cc(C[NH2+]CC2(S(=O)(=O)NC(C)(C)C)CC2)cc(Cl)c1O ZINC000895614673 663520834 /nfs/dbraw/zinc/52/08/34/663520834.db2.gz QVRILSAAEBMCQE-UHFFFAOYSA-N 1 0 390.933 2.784 20 0 GFADRO CCOC(=O)[C@]1(C[NH2+]Cc2nc(C)c(Br)s2)CCCOC1 ZINC000895775903 663527223 /nfs/dbraw/zinc/52/72/23/663527223.db2.gz FWZOYVXIMXSAJA-AWEZNQCLSA-N 1 0 377.304 2.664 20 0 GFADRO COc1cc(Br)c(C[NH2+]C[C@@H]2CC[C@]3(CO[C@@H](C)C3)O2)cc1O ZINC000895823310 663528811 /nfs/dbraw/zinc/52/88/11/663528811.db2.gz ZPVDIQWQFJLBRR-BNLOLNQZSA-N 1 0 386.286 2.980 20 0 GFADRO COc1cc(Br)c(C[NH2+]C[C@@H]2CC[C@@]3(CO[C@H](C)C3)O2)cc1O ZINC000895823311 663528926 /nfs/dbraw/zinc/52/89/26/663528926.db2.gz ZPVDIQWQFJLBRR-BTJLNZGRSA-N 1 0 386.286 2.980 20 0 GFADRO Cn1cc(C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)c(Br)n1 ZINC000895884560 663532043 /nfs/dbraw/zinc/53/20/43/663532043.db2.gz KGIQROKYDSCBGS-UHFFFAOYSA-N 1 0 391.313 2.825 20 0 GFADRO O=C(CCCc1ccc(Br)cc1)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000895989843 663536218 /nfs/dbraw/zinc/53/62/18/663536218.db2.gz DSUUQHLAXCVXGA-DLBZAZTESA-N 1 0 381.314 2.751 20 0 GFADRO C[C@H](NC(=O)c1ccc(OC(F)(F)F)c(Cl)c1)[C@@H]1C[N@H+](C)CCN1C ZINC000896533187 663561620 /nfs/dbraw/zinc/56/16/20/663561620.db2.gz YEOQQCUDYFPZSL-GWCFXTLKSA-N 1 0 379.810 2.603 20 0 GFADRO C[C@H](NC(=O)c1cc(Cl)cc(Br)c1F)[C@H]1C[N@H+](C)CCN1C ZINC000896546872 663562887 /nfs/dbraw/zinc/56/28/87/663562887.db2.gz ZJMONRWRZNSGHM-TVQRCGJNSA-N 1 0 392.700 2.606 20 0 GFADRO CC(C)(C)OC(=O)N1CC(C[NH2+]CC2(n3cc(Br)cn3)CC2)C1 ZINC000896911931 663581540 /nfs/dbraw/zinc/58/15/40/663581540.db2.gz INBOLBAGTVDBSZ-UHFFFAOYSA-N 1 0 385.306 2.591 20 0 GFADRO O=C(NCCc1nc2cc(Cl)ccc2s1)C1C[NH+](C2CCOCC2)C1 ZINC000896943864 663582392 /nfs/dbraw/zinc/58/23/92/663582392.db2.gz CAAKRDOHZBHBBQ-UHFFFAOYSA-N 1 0 379.913 2.719 20 0 GFADRO O=C1N[C@H](C2CC[NH+](Cc3ccccc3I)CC2)CO1 ZINC000897027124 663587310 /nfs/dbraw/zinc/58/73/10/663587310.db2.gz IMTVIJBHBCRPCH-AWEZNQCLSA-N 1 0 386.233 2.612 20 0 GFADRO O[C@H]1CCOC2(CC[NH+](Cc3cnc4ccc(Br)cn34)CC2)C1 ZINC000897261243 663597203 /nfs/dbraw/zinc/59/72/03/663597203.db2.gz YMEYDZHMLFKPIF-HNNXBMFYSA-N 1 0 380.286 2.603 20 0 GFADRO COCCOc1c(Cl)cc(NC(=O)C2C[NH+]([C@@H]3CCOC3)C2)cc1Cl ZINC000897305192 663599658 /nfs/dbraw/zinc/59/96/58/663599658.db2.gz UBYJBYCPVOAYMN-CYBMUJFWSA-N 1 0 389.279 2.678 20 0 GFADRO COc1cc(NC(=O)C2C[NH+](C3CCOCC3)C2)cc(OC)c1Br ZINC000897310339 663600299 /nfs/dbraw/zinc/60/02/99/663600299.db2.gz QCVOZGAWZAJQFZ-UHFFFAOYSA-N 1 0 399.285 2.516 20 0 GFADRO CS(=O)(=O)CC1CCC([NH2+][C@H](CO)c2ccccc2C(F)(F)F)CC1 ZINC000897330295 663601313 /nfs/dbraw/zinc/60/13/13/663601313.db2.gz PDCSENNGEFEKEQ-SEEARECTSA-N 1 0 379.444 2.932 20 0 GFADRO C[C@H](C[NH2+]Cc1cn(C[C@H]2CCOC2)nn1)c1ccc(Br)cc1 ZINC000897470049 663606873 /nfs/dbraw/zinc/60/68/73/663606873.db2.gz XABGCAVQFSJALZ-ZIAGYGMSSA-N 1 0 379.302 2.970 20 0 GFADRO C[C@H]1CCC[N@@H+]1CCNC(=O)N1CCC[C@@H]1c1ncc(Br)cn1 ZINC000897518816 663608102 /nfs/dbraw/zinc/60/81/02/663608102.db2.gz LAFXYCPHWMFSSC-GXTWGEPZSA-N 1 0 382.306 2.570 20 0 GFADRO C[N@@H+]1CC[C@H](C(=O)N2CCn3c(Br)cnc3C2)[C@@H]1c1ccccc1 ZINC000897571050 663611903 /nfs/dbraw/zinc/61/19/03/663611903.db2.gz HXDGCYPFJPVNIW-YOEHRIQHSA-N 1 0 389.297 2.681 20 0 GFADRO CC(C)(C)N1CC[C@H]1C(=O)NCc1nc(-c2cccc(Br)c2)no1 ZINC000897609348 663613541 /nfs/dbraw/zinc/61/35/41/663613541.db2.gz CBNXAFCPIXZSDF-ZDUSSCGKSA-N 1 0 393.285 2.988 20 0 GFADRO CO[C@@H]1CCOC[C@H]1[NH2+][C@@H]1CCN(C)[C@H](c2ccc(Br)cc2)C1 ZINC000897888494 663624142 /nfs/dbraw/zinc/62/41/42/663624142.db2.gz CJXHRHKYBMEJKC-ZJPYXAASSA-N 1 0 383.330 2.978 20 0 GFADRO CCO[C@]12CCC[C@@]1([NH2+]Cc1cnn3cc(Br)cnc13)CCO2 ZINC000897974881 663627403 /nfs/dbraw/zinc/62/74/03/663627403.db2.gz RSMXYMCFIOOGCD-CVEARBPZSA-N 1 0 381.274 2.657 20 0 GFADRO Cc1nn(-c2ccc(Cl)cc2)c(Cl)c1C[NH2+]CCCc1nnnn1C ZINC000898042128 663631050 /nfs/dbraw/zinc/63/10/50/663631050.db2.gz IYBWYNOTKPLARZ-UHFFFAOYSA-N 1 0 380.283 2.733 20 0 GFADRO C[C@H](Cc1ccc(Br)cc1)[NH2+][C@@H]1CCN(c2cc(=O)[nH]cn2)C1 ZINC000898153181 663636296 /nfs/dbraw/zinc/63/62/96/663636296.db2.gz UKLSJQRXJYPLIS-IUODEOHRSA-N 1 0 377.286 2.744 20 0 GFADRO CCN(CC)c1ncc(C[NH2+][C@@H]2CCN(c3cn[nH]c(=O)c3Cl)C2)s1 ZINC000898362445 663644261 /nfs/dbraw/zinc/64/42/61/663644261.db2.gz FFZXPCHPXHHYIE-LLVKDONJSA-N 1 0 382.921 2.507 20 0 GFADRO O=c1[nH]ncc(N2CC[C@@H]([NH2+]Cc3c[nH]nc3-c3cccs3)C2)c1Cl ZINC000898362472 663644296 /nfs/dbraw/zinc/64/42/96/663644296.db2.gz FXXFWTUULBWTHL-LLVKDONJSA-N 1 0 376.873 2.656 20 0 GFADRO COc1cc(C[NH2+][C@@H]2CCN(c3cn[nH]c(=O)c3Cl)C2)ccc1SC ZINC000898364485 663644640 /nfs/dbraw/zinc/64/46/40/663644640.db2.gz MQRDQQWDOXWRSF-GFCCVEGCSA-N 1 0 380.901 2.935 20 0 GFADRO O=c1[nH]ncc(N2CC[C@H]([NH2+]Cc3cc(Cl)cc4c3OCC4)C2)c1Cl ZINC000898366954 663644830 /nfs/dbraw/zinc/64/48/30/663644830.db2.gz ITGUWLYRPOLVRJ-ZDUSSCGKSA-N 1 0 381.263 2.792 20 0 GFADRO CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C(=O)NCc1cscc1Cl ZINC000898589587 663657630 /nfs/dbraw/zinc/65/76/30/663657630.db2.gz YAZWIGQOSLQALE-UHFFFAOYSA-N 1 0 379.913 2.738 20 0 GFADRO Cc1cc(C[NH2+][C@@H]2CCc3ncc(Br)n3C2)ccc1-n1cncn1 ZINC000898723731 663661072 /nfs/dbraw/zinc/66/10/72/663661072.db2.gz ICYDUTWUNJUOIY-CQSZACIVSA-N 1 0 387.285 2.639 20 0 GFADRO Cc1cc(C[NH2+][C@H]2CCc3ncc(Br)n3C2)ccc1-n1cncn1 ZINC000898723730 663661125 /nfs/dbraw/zinc/66/11/25/663661125.db2.gz ICYDUTWUNJUOIY-AWEZNQCLSA-N 1 0 387.285 2.639 20 0 GFADRO O=C(N[C@H]1CSCc2ccc(Br)cc21)C1C[NH+]([C@H]2CCOC2)C1 ZINC000898723988 663661221 /nfs/dbraw/zinc/66/12/21/663661221.db2.gz MADOKVNKJHMOCM-HOCLYGCPSA-N 1 0 397.338 2.574 20 0 GFADRO CC(C)(C)OC(=O)NC1CC([NH2+][C@@H]2CCc3ncc(Br)n3C2)C1 ZINC000898725183 663661564 /nfs/dbraw/zinc/66/15/64/663661564.db2.gz RTHAYYYNCHLFHX-VOMCLLRMSA-N 1 0 385.306 2.606 20 0 GFADRO Cc1c(I)cccc1C(=O)NCC(C)(C)n1ccnc1 ZINC000898905373 663669009 /nfs/dbraw/zinc/66/90/09/663669009.db2.gz YUGRSGWFEHLZRI-UHFFFAOYSA-N 1 0 383.233 2.961 20 0 GFADRO O=C(N1CC[C@@H](O)[C@H]1c1ccc(Br)cc1)[C@@]12CC[N@H+](C1)CCC2 ZINC000899148517 663677886 /nfs/dbraw/zinc/67/78/86/663677886.db2.gz QNEVILYPNZEVCX-NUJGCVRESA-N 1 0 379.298 2.569 20 0 GFADRO CCC1([NH+]2CCC2)CCN(C(=O)c2nn3c(c2Br)CCC3)CC1 ZINC000899554009 663693514 /nfs/dbraw/zinc/69/35/14/663693514.db2.gz RRYBXQXPKAKXKT-UHFFFAOYSA-N 1 0 381.318 2.682 20 0 GFADRO CCC1([NH+]2CCC2)CCN(C(=O)c2cc(Br)c(C)[nH]c2=O)CC1 ZINC000899559081 663693720 /nfs/dbraw/zinc/69/37/20/663693720.db2.gz KPZANUOHQKARHN-UHFFFAOYSA-N 1 0 382.302 2.949 20 0 GFADRO COc1ccc([C@@H](C)NC(=O)c2ccnn2CC[NH+](C)C)cc1Br ZINC000900012099 663706475 /nfs/dbraw/zinc/70/64/75/663706475.db2.gz ABRWKOMFUCPEBC-GFCCVEGCSA-N 1 0 395.301 2.707 20 0 GFADRO O=C1Nc2c(cccc2Br)[C@H]1Cc1nc([C@H]2CCC[NH2+]C2)no1 ZINC000900015223 663706503 /nfs/dbraw/zinc/70/65/03/663706503.db2.gz IRTILQDVEBQGQF-GXSJLCMTSA-N 1 0 377.242 2.578 20 0 GFADRO COC(=O)c1cc(Br)c(Cn2cc([C@H]([NH3+])C(C)C)nn2)cc1OC ZINC000900595542 663717767 /nfs/dbraw/zinc/71/77/67/663717767.db2.gz IBSHNIUAODLVEL-OAHLLOKOSA-N 1 0 397.273 2.540 20 0 GFADRO CC[NH+]1CCN([C@@H](C)CNC(=O)CCCc2ccc(Br)cc2)CC1 ZINC000900685876 663719774 /nfs/dbraw/zinc/71/97/74/663719774.db2.gz IZUOOXBNUYDHMV-INIZCTEOSA-N 1 0 396.373 2.914 20 0 GFADRO C[C@H](NC(=O)CCSc1nc2ccccc2s1)[C@@H]1C[N@H+](C)CCN1C ZINC000900800391 663721657 /nfs/dbraw/zinc/72/16/57/663721657.db2.gz CQJVGOGPCMEJDK-ZFWWWQNUSA-N 1 0 378.567 2.529 20 0 GFADRO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H]2CCc3ncc(Br)n3C2)cc1 ZINC000901727199 663743655 /nfs/dbraw/zinc/74/36/55/663743655.db2.gz DPQNTRYVXZITSM-DGCLKSJQSA-N 1 0 393.285 2.586 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCc2ncc(Br)n2C1)C(=O)Nc1ccc(F)c(F)c1 ZINC000901727688 663743686 /nfs/dbraw/zinc/74/36/86/663743686.db2.gz HZFROBIZEJXDNV-GXSJLCMTSA-N 1 0 399.239 2.855 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCc2ncc(Br)n2C1)C(=O)NCCC1=CCCCC1 ZINC000901730897 663744088 /nfs/dbraw/zinc/74/40/88/663744088.db2.gz YLHCPIQCVVLKME-DZGCQCFKSA-N 1 0 395.345 2.945 20 0 GFADRO CNc1ccc(C)cc1C[NH2+]CC1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000902231596 663757351 /nfs/dbraw/zinc/75/73/51/663757351.db2.gz XTRAGPQYFLDLIS-UHFFFAOYSA-N 1 0 379.448 2.688 20 0 GFADRO CC1(C)C[NH2+]CC[C@@H](NCc2ccc(S(C)(=O)=O)c(C(F)(F)F)c2)C1 ZINC000902374654 663760326 /nfs/dbraw/zinc/76/03/26/663760326.db2.gz CCRZANJYVHZESD-CYBMUJFWSA-N 1 0 378.460 2.977 20 0 GFADRO O[C@H](C[NH2+][C@@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21)COc1ccccc1Br ZINC000902880068 663769065 /nfs/dbraw/zinc/76/90/65/663769065.db2.gz CBJJRXLEPVMSCW-OGGAVRHQSA-N 1 0 382.298 2.592 20 0 GFADRO O=C1[C@H]([NH2+][C@H]2CC[C@@H]3[C@H]4OCC[C@H]4[C@@H]32)CCN1c1cccc(Br)c1 ZINC000902975083 663770180 /nfs/dbraw/zinc/77/01/80/663770180.db2.gz DPVFMORNWCLUCX-SJUNHDGSSA-N 1 0 391.309 2.958 20 0 GFADRO COC[C@H]([NH2+][C@H](C)c1cccc(S(=O)(=O)C(F)(F)F)c1)[C@@H]1CCCO1 ZINC000903157852 663776424 /nfs/dbraw/zinc/77/64/24/663776424.db2.gz BQUFMGRNECMRHT-UGFHNGPFSA-N 1 0 381.416 2.825 20 0 GFADRO C[C@@H]([NH2+]CCC1(O)CCOCC1)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000903170927 663776903 /nfs/dbraw/zinc/77/69/03/663776903.db2.gz LTJLCJNNQJBRBU-GFCCVEGCSA-N 1 0 381.416 2.562 20 0 GFADRO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CC[C@@H]1CC(=O)N(C)C1 ZINC000903221396 663778848 /nfs/dbraw/zinc/77/88/48/663778848.db2.gz ZDNCLLFLTCDGPC-CHWSQXEVSA-N 1 0 382.302 2.624 20 0 GFADRO CC[C@](O)(CCC(F)(F)F)C[NH2+][C@H](C)c1ccc(S(=O)(=O)NC)cc1 ZINC000903257855 663780664 /nfs/dbraw/zinc/78/06/64/663780664.db2.gz YZPCGZHQYZFCLT-DOMZBBRYSA-N 1 0 382.448 2.729 20 0 GFADRO O=c1cc(N2CC[C@@H]([NH2+][C@H]3CCCc4ncc(Br)cc43)C2)nc[nH]1 ZINC000903400668 663783834 /nfs/dbraw/zinc/78/38/34/663783834.db2.gz WUMDNEHTVHRWJW-DOMZBBRYSA-N 1 0 390.285 2.586 20 0 GFADRO C[C@H]([NH2+][C@H]1COC[C@H]1C1CC1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000903438214 663784885 /nfs/dbraw/zinc/78/48/85/663784885.db2.gz STUCPRMGIJGSNM-PSEJXSGSSA-N 1 0 379.309 2.716 20 0 GFADRO C[C@H](C(=O)Nc1cccc(Br)c1)N1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903518977 663786856 /nfs/dbraw/zinc/78/68/56/663786856.db2.gz TZSNPQMVVBIONC-GGZOMVNGSA-N 1 0 380.208 2.598 20 0 GFADRO COC(=O)c1ccc(S(=O)(=O)N2CCC(C(C)(C)C[NH3+])CC2)c(Cl)c1 ZINC000903521353 663787000 /nfs/dbraw/zinc/78/70/00/663787000.db2.gz SDVSXWCWJKRDON-UHFFFAOYSA-N 1 0 388.917 2.512 20 0 GFADRO O=S(=O)(c1ccc(Cl)c(Cl)c1)N1CC[NH2+]CCC12CCOCC2 ZINC000903546101 663788174 /nfs/dbraw/zinc/78/81/74/663788174.db2.gz GOMFYZHGUQMPAZ-UHFFFAOYSA-N 1 0 379.309 2.527 20 0 GFADRO [NH3+]CC1([C@H]2CCCCN2S(=O)(=O)c2ccc(Br)cn2)CCC1 ZINC000903546485 663788231 /nfs/dbraw/zinc/78/82/31/663788231.db2.gz KWWCWRICVUVLBY-CYBMUJFWSA-N 1 0 388.331 2.516 20 0 GFADRO [NH3+]CC1([C@H]2CCCCN2S(=O)(=O)c2c(Cl)nc3ccccn32)CCC1 ZINC000903547527 663788274 /nfs/dbraw/zinc/78/82/74/663788274.db2.gz RUVLIBBOCHLNCS-CYBMUJFWSA-N 1 0 382.917 2.660 20 0 GFADRO O=S(=O)(/C=C/c1ccccc1Br)NC1(C2CC[NH2+]CC2)CC1 ZINC000903556680 663788538 /nfs/dbraw/zinc/78/85/38/663788538.db2.gz FNISZNSARNMJRD-KPKJPENVSA-N 1 0 385.327 2.871 20 0 GFADRO [NH3+][C@H]1CN(S(=O)(=O)c2csc(-c3ccccc3)n2)CC[C@@H]1C(F)(F)F ZINC000903578244 663789923 /nfs/dbraw/zinc/78/99/23/663789923.db2.gz DJBIMQPMBXHLTO-RYUDHWBXSA-N 1 0 391.440 2.710 20 0 GFADRO [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(S(=O)(=O)c1ccc(Cl)c(Br)c1)C2 ZINC000903579414 663790053 /nfs/dbraw/zinc/79/00/53/663790053.db2.gz LIEKRIXFLJOPPQ-GUBZILKMSA-N 1 0 379.707 2.603 20 0 GFADRO [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(S(=O)(=O)Cc1cc(Cl)ccc1Br)C2 ZINC000903579931 663790068 /nfs/dbraw/zinc/79/00/68/663790068.db2.gz RDGGCGVHXIPWTG-BIMULSAOSA-N 1 0 393.734 2.744 20 0 GFADRO [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(S(=O)(=O)c1cccc(Cl)c1Br)C2 ZINC000903580473 663790196 /nfs/dbraw/zinc/79/01/96/663790196.db2.gz YKJAEZJGQNTQQD-GUBZILKMSA-N 1 0 379.707 2.603 20 0 GFADRO O=S(=O)(c1ccc(Cl)cc1Br)N1CCC[C@@]12CC[NH2+]C2 ZINC000903593916 663790987 /nfs/dbraw/zinc/79/09/87/663790987.db2.gz ZEHVFFDWLATMQG-ZDUSSCGKSA-N 1 0 379.707 2.619 20 0 GFADRO Fc1ccc([C@@H]2CN(C[C@@H]3C[C@@]4(CC[NH2+]C4)CO3)CCO2)cc1Br ZINC000903757390 663805901 /nfs/dbraw/zinc/80/59/01/663805901.db2.gz ZIACBDNHWPALPS-JCGIZDLHSA-N 1 0 399.304 2.730 20 0 GFADRO O[C@@H](COc1cc(Cl)ccc1Cl)CN1CC[NH2+]CCC12CCOCC2 ZINC000903819909 663807730 /nfs/dbraw/zinc/80/77/30/663807730.db2.gz PWIPBDZOBYOPND-OAHLLOKOSA-N 1 0 389.323 2.578 20 0 GFADRO COc1ccc(Br)cc1CN(C)C[C@H](C[NH3+])Cc1cnn(C)c1C ZINC000903877004 663809794 /nfs/dbraw/zinc/80/97/94/663809794.db2.gz JVMCSKOJJNJYDC-AWEZNQCLSA-N 1 0 395.345 2.749 20 0 GFADRO Cc1c(C[C@@H](C[NH3+])CN2CCc3cccc(Br)c3C2)cnn1C ZINC000903896214 663810320 /nfs/dbraw/zinc/81/03/20/663810320.db2.gz UGVUAGSEUKRITH-AWEZNQCLSA-N 1 0 377.330 2.667 20 0 GFADRO COc1cc(Br)c(CNC[C@H]2C[NH2+]CCC2(F)F)c(OC)c1 ZINC000903954248 663813709 /nfs/dbraw/zinc/81/37/09/663813709.db2.gz BJWVUGIBNAQMNL-SNVBAGLBSA-N 1 0 379.245 2.801 20 0 GFADRO [NH3+]C[C@H]1C[C@H](NC(=O)Nc2ccc(CCn3cc(Br)cn3)cc2)C1 ZINC000904350451 663831272 /nfs/dbraw/zinc/83/12/72/663831272.db2.gz LSAPBHJJHGXDIL-SAZUREKKSA-N 1 0 392.301 2.747 20 0 GFADRO CS(=O)(=O)c1ccc(NC(=O)NC[C@@H]2CCCCC[NH2+]2)cc1C(F)F ZINC000904405823 663832836 /nfs/dbraw/zinc/83/28/36/663832836.db2.gz QAAQSXNHCVUQME-LBPRGKRZSA-N 1 0 375.441 2.681 20 0 GFADRO CCOCCOc1ccc(Br)cc1NC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000904410294 663833048 /nfs/dbraw/zinc/83/30/48/663833048.db2.gz DPCKMDGPLXKWLH-HZSPNIEDSA-N 1 0 398.301 2.879 20 0 GFADRO COC(=O)c1cc(NC(=O)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)c(C)cc1Br ZINC000904484906 663835946 /nfs/dbraw/zinc/83/59/46/663835946.db2.gz QFHYBBTTXALMKN-MRCXROJRSA-N 1 0 382.258 2.559 20 0 GFADRO COCCOc1ccc(NC(=O)N2CC[C@@](C)(C[NH3+])C2)cc1Br ZINC000904550606 663837724 /nfs/dbraw/zinc/83/77/24/663837724.db2.gz HBGDPQQYHQPYHP-INIZCTEOSA-N 1 0 386.290 2.677 20 0 GFADRO COCCOc1ccc(NC(=O)N2CC[C@@H]([NH3+])[C@H](C)C2)cc1Br ZINC000904552314 663838185 /nfs/dbraw/zinc/83/81/85/663838185.db2.gz UCCNNIFXRBEDGZ-BXUZGUMPSA-N 1 0 386.290 2.675 20 0 GFADRO COc1ccc(Cc2noc(CC(C)(C)C[NH3+])n2)c(Br)c1OC ZINC000904665686 663839827 /nfs/dbraw/zinc/83/98/27/663839827.db2.gz MQUJQAJHNIENOO-UHFFFAOYSA-N 1 0 384.274 2.968 20 0 GFADRO O=C(Cc1noc([C@]23C[C@H]2CCCN3)n1)Nc1ccccc1Br ZINC000904689503 663841089 /nfs/dbraw/zinc/84/10/89/663841089.db2.gz KQQZIQHXMWMEKY-HWPZZCPQSA-N 1 0 377.242 2.612 20 0 GFADRO CC[C@](O)(C[NH2+]Cc1ccc(S(C)(=O)=O)c(C(F)(F)F)c1)C(F)(F)F ZINC000905236222 663861383 /nfs/dbraw/zinc/86/13/83/663861383.db2.gz DWWDQBLIJFLVCL-LBPRGKRZSA-N 1 0 393.349 2.902 20 0 GFADRO CC[C@@H](C[NH2+]C[C@H](O)C1(S(=O)(=O)NC(C)(C)C)CCC1)CC(F)(F)F ZINC000905284289 663863853 /nfs/dbraw/zinc/86/38/53/663863853.db2.gz ASFGEQSZNIRLSN-OLZOCXBDSA-N 1 0 388.496 2.556 20 0 GFADRO O=S(=O)(CC1CC[NH2+]CC1)N[C@H]1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000905333024 663865870 /nfs/dbraw/zinc/86/58/70/663865870.db2.gz UGTSDUBZLFONOB-GDNZZTSVSA-N 1 0 396.397 2.815 20 0 GFADRO CC1(C)C[NH2+][C@@H]1C1CCN(S(=O)(=O)c2sccc2Br)CC1 ZINC000905358687 663867305 /nfs/dbraw/zinc/86/73/05/663867305.db2.gz HSKCXLXIYFNHNE-GFCCVEGCSA-N 1 0 393.372 2.909 20 0 GFADRO O[C@H](C[NH2+]C[C@@H](O)c1cccc(Br)c1)C[C@H](O)c1ccccc1 ZINC000905369866 663867925 /nfs/dbraw/zinc/86/79/25/663867925.db2.gz DBHLIHPCYVOVAD-OKZBNKHCSA-N 1 0 380.282 2.557 20 0 GFADRO COc1ncc(Br)cc1C[NH2+]C[C@H](O)CC[C@@H](O)c1ccccc1 ZINC000905386528 663868838 /nfs/dbraw/zinc/86/88/38/663868838.db2.gz UHRSCPCAZCNOCW-IAGOWNOFSA-N 1 0 395.297 2.817 20 0 GFADRO CC(C)(C)NS(=O)(=O)C1([C@@H](O)C[NH2+]CC(C)(C)CC(F)(F)F)CCC1 ZINC000905387152 663868882 /nfs/dbraw/zinc/86/88/82/663868882.db2.gz STFFSISQYQDBNK-LBPRGKRZSA-N 1 0 388.496 2.556 20 0 GFADRO COC(=O)c1cc(C[NH2+]C[C@H](O)c2ccc(Br)cc2)n(C)c1C ZINC000905441172 663871448 /nfs/dbraw/zinc/87/14/48/663871448.db2.gz SHAFUFFALUBOMZ-INIZCTEOSA-N 1 0 381.270 2.706 20 0 GFADRO O[C@@H](CCC1(O)CCC1)C[NH2+]Cc1ccn(-c2ccc(Br)cc2)n1 ZINC000905477972 663873212 /nfs/dbraw/zinc/87/32/12/663873212.db2.gz FSJUUUMWQMHIGK-KRWDZBQOSA-N 1 0 394.313 2.781 20 0 GFADRO CS(=O)(=O)C1CCC(C[NH2+]C[C@@H](O)c2cccc(Br)c2)CC1 ZINC000905509300 663874744 /nfs/dbraw/zinc/87/47/44/663874744.db2.gz PLOWNUZSHWJQNF-VDSRIPIWSA-N 1 0 390.343 2.676 20 0 GFADRO Cn1cc(C[NH2+]C[C@@H](O)Cc2ccc(C(F)(F)F)cc2)c(Br)n1 ZINC000905520600 663875981 /nfs/dbraw/zinc/87/59/81/663875981.db2.gz KJQQPOYUEOEFCY-ZDUSSCGKSA-N 1 0 392.219 2.895 20 0 GFADRO O[C@H](C[NH2+]CC1(C2(O)CCOCC2)CC1)COc1ccc(Cl)cc1Cl ZINC000905550528 663878060 /nfs/dbraw/zinc/87/80/60/663878060.db2.gz GMYMVKYETCPZQY-CQSZACIVSA-N 1 0 390.307 2.644 20 0 GFADRO O=C(CC[NH2+]C[C@H]1CCN1C1CCOCC1)Nc1cccc(Br)c1 ZINC000905619108 663881744 /nfs/dbraw/zinc/88/17/44/663881744.db2.gz KLBMQDFYZMRBMX-QGZVFWFLSA-N 1 0 396.329 2.621 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CNC(=S)N1CCC[C@H]1c1ncc(Br)cn1 ZINC000905644161 663883179 /nfs/dbraw/zinc/88/31/79/663883179.db2.gz JUQDGHCERSCYDN-KGLIPLIRSA-N 1 0 398.374 2.735 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CNC(=S)N1CCC[C@@H]1c1ncc(Br)cn1 ZINC000905644163 663883228 /nfs/dbraw/zinc/88/32/28/663883228.db2.gz JUQDGHCERSCYDN-UONOGXRCSA-N 1 0 398.374 2.735 20 0 GFADRO O[C@@H](C[NH2+]CC[C@H](O)C1CC1)COc1ccc(Cl)cc1Br ZINC000905689897 663886314 /nfs/dbraw/zinc/88/63/14/663886314.db2.gz CLLUZAKJPZTPPL-JSGCOSHPSA-N 1 0 378.694 2.593 20 0 GFADRO O[C@H](C[NH2+]CCOC1CCSCC1)COc1cccc(Br)c1 ZINC000905705609 663887930 /nfs/dbraw/zinc/88/79/30/663887930.db2.gz QTMGDDFWIUAUJE-CQSZACIVSA-N 1 0 390.343 2.691 20 0 GFADRO CC(C)[NH2+]Cc1cn([C@@H]2CCc3cc(Br)ccc3NC2=O)nn1 ZINC000905813276 663893338 /nfs/dbraw/zinc/89/33/38/663893338.db2.gz OUBLOUCBSFEUEP-OAHLLOKOSA-N 1 0 378.274 2.665 20 0 GFADRO Cc1cc(C[NH+](C)C)ccc1NS(=O)(=O)N=[S@](C)(=O)c1ccccc1 ZINC000906067721 663920131 /nfs/dbraw/zinc/92/01/31/663920131.db2.gz OLJCMEWUZRVVCW-XMMPIXPASA-N 1 0 381.523 2.870 20 0 GFADRO C[C@H](C[NH+]1CCCCC1)NC(=O)c1cc(Br)cn(C2CC2)c1=O ZINC000906103407 663925300 /nfs/dbraw/zinc/92/53/00/663925300.db2.gz GPBIDKLVCSLCHU-GFCCVEGCSA-N 1 0 382.302 2.550 20 0 GFADRO C[C@@H](Oc1ccc(F)cc1Br)C(=O)N(C)c1cc(C[NH3+])ccn1 ZINC000906225245 663932756 /nfs/dbraw/zinc/93/27/56/663932756.db2.gz IEJAECFTWCHURB-SNVBAGLBSA-N 1 0 382.233 2.872 20 0 GFADRO Cc1c(C(=O)N2CCC[C@@H]([NH+](C)C)C2)nnn1-c1ccccc1Br ZINC000906528221 663955935 /nfs/dbraw/zinc/95/59/35/663955935.db2.gz BGLQRRLLSAWPLC-CYBMUJFWSA-N 1 0 392.301 2.504 20 0 GFADRO Cc1cc(C(=O)N2CC[C@@H](C)[C@@H]([NH3+])C2)nn1-c1ccccc1Br ZINC000906634765 663961660 /nfs/dbraw/zinc/96/16/60/663961660.db2.gz CTCNOPKVTYTARH-RISCZKNCSA-N 1 0 377.286 2.753 20 0 GFADRO CC(C)(C[NH3+])C1CCN(C(=O)C(=O)Nc2ccccc2Br)CC1 ZINC000906690344 663965377 /nfs/dbraw/zinc/96/53/77/663965377.db2.gz KCMSGJAKZAYKCC-UHFFFAOYSA-N 1 0 382.302 2.611 20 0 GFADRO O=C(NCCCNc1ccccn1)C(F)(F)c1ncccc1Br ZINC000906738600 663967739 /nfs/dbraw/zinc/96/77/39/663967739.db2.gz KFXAXVKYBBLEAF-UHFFFAOYSA-N 1 0 385.212 2.949 20 0 GFADRO CO[C@H](C(=O)N(C)[C@@H]1CC[N@H+](C)C[C@H]1C)c1ccc(Br)s1 ZINC000906790083 663971273 /nfs/dbraw/zinc/97/12/73/663971273.db2.gz HXLMOYRPENIMRR-GYSYKLTISA-N 1 0 375.332 2.997 20 0 GFADRO CCO[C@H](CC[NH+](C)C)CNC(=O)[C@H](OC)c1ccc(Br)s1 ZINC000906941438 663984510 /nfs/dbraw/zinc/98/45/10/663984510.db2.gz ILEKYAJACLBXSX-BXUZGUMPSA-N 1 0 393.347 2.671 20 0 GFADRO C[C@@H]1C[C@H](NS(=O)(=O)c2c[nH]c3cc(Br)ccc32)CC[N@@H+]1C ZINC000906985535 663989000 /nfs/dbraw/zinc/98/90/00/663989000.db2.gz AVNUTHPOGAMZSK-ZYHUDNBSSA-N 1 0 386.315 2.691 20 0 GFADRO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)S(=O)(=O)N3CCCC[C@H]3C)C2)s1 ZINC000907346903 664026289 /nfs/dbraw/zinc/02/62/89/664026289.db2.gz PIRXCMWKTRPSTI-WBVHZDCISA-N 1 0 385.599 2.929 20 0 GFADRO Cc1ccc(C[N@H+]2CC[C@H](CN(C)S(=O)(=O)[C@@H]3CCOC[C@@H]3C)C2)s1 ZINC000907346977 664026363 /nfs/dbraw/zinc/02/63/63/664026363.db2.gz QCWYLZUSRDAYMV-YXJHDRRASA-N 1 0 386.583 2.565 20 0 GFADRO C[N@@H+]1CCC[C@](O)(CC(=O)Nc2nnc(-c3c(F)cccc3Cl)s2)C1 ZINC000907467652 664036995 /nfs/dbraw/zinc/03/69/95/664036995.db2.gz FSRNHYRCMOCPKI-INIZCTEOSA-N 1 0 384.864 2.783 20 0 GFADRO COC(=O)c1cc(NC(=O)[C@@]23CC[N@H+](C2)CCC3)cc(Br)c1F ZINC000907750437 664058643 /nfs/dbraw/zinc/05/86/43/664058643.db2.gz UQTSVRPRNQGVDF-INIZCTEOSA-N 1 0 385.233 2.799 20 0 GFADRO C[NH+]1CCC2(CCN2S(=O)(=O)Cc2cccc(F)c2Br)CC1 ZINC000907857445 664066345 /nfs/dbraw/zinc/06/63/45/664066345.db2.gz LSBFFVZVVDGXED-UHFFFAOYSA-N 1 0 391.306 2.588 20 0 GFADRO C[NH+]1CCC2(CCN2S(=O)(=O)Cc2cc(F)ccc2Br)CC1 ZINC000907857390 664066403 /nfs/dbraw/zinc/06/64/03/664066403.db2.gz KKWYHFMYJMNWGA-UHFFFAOYSA-N 1 0 391.306 2.588 20 0 GFADRO CC(C)[NH+]1CCN(CCC(=O)N[C@@H]2C[C@H]2c2ccc(Br)cc2)CC1 ZINC000907945772 664073298 /nfs/dbraw/zinc/07/32/98/664073298.db2.gz PKJAWBRFVDOQMC-ZWKOTPCHSA-N 1 0 394.357 2.837 20 0 GFADRO C[N@@H+]1CCC[C@@](O)(CC(=O)NCc2cnc(-c3ccc(Cl)cc3)s2)C1 ZINC000908084559 664082012 /nfs/dbraw/zinc/08/20/12/664082012.db2.gz DDCZELYLZMHVJM-GOSISDBHSA-N 1 0 379.913 2.927 20 0 GFADRO C[N@@H+]1C[C@@H](O)C[C@@]1(C)C(=O)NCC1(c2ccc(Br)s2)CCC1 ZINC000908120545 664084943 /nfs/dbraw/zinc/08/49/43/664084943.db2.gz KCRLOBQTKFAUBT-NHYWBVRUSA-N 1 0 387.343 2.504 20 0 GFADRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1cc(Br)cn(C2CC2)c1=O ZINC000908146929 664087813 /nfs/dbraw/zinc/08/78/13/664087813.db2.gz PCDQPRWKCFKFGB-DOMZBBRYSA-N 1 0 394.313 2.645 20 0 GFADRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1cc(Br)cn(C2CC2)c1=O ZINC000908190078 664090745 /nfs/dbraw/zinc/09/07/45/664090745.db2.gz NVOQYUCTAIDXBK-WBMJQRKESA-N 1 0 394.313 2.645 20 0 GFADRO Cc1cc(Br)cc(Cl)c1C(=O)N[C@@H](CO)C[NH+]1CCCC1 ZINC000908204217 664091940 /nfs/dbraw/zinc/09/19/40/664091940.db2.gz PFSWGMDOEZGZQC-GFCCVEGCSA-N 1 0 375.694 2.597 20 0 GFADRO CCC[N@H+](CC)C[C@@H](C)NC(=O)c1cc(Br)cn(C2CC2)c1=O ZINC000908303952 664097837 /nfs/dbraw/zinc/09/78/37/664097837.db2.gz SNJUUWZJDLUJKV-GFCCVEGCSA-N 1 0 384.318 2.796 20 0 GFADRO CC(C)[NH+]1CCN(CCCC(=O)N[C@H](c2nccs2)C(F)(F)F)CC1 ZINC000908427668 664105633 /nfs/dbraw/zinc/10/56/33/664105633.db2.gz LZKGHXZCJAEVFO-CQSZACIVSA-N 1 0 378.464 2.669 20 0 GFADRO CCc1cc(C(=O)N2CCC(CO)([NH2+]C(C)C)CC2)ccc1Br ZINC000908611084 664117749 /nfs/dbraw/zinc/11/77/49/664117749.db2.gz XZHTWXHGYJQZKA-UHFFFAOYSA-N 1 0 383.330 2.977 20 0 GFADRO CCN(C(=O)c1cc(Br)cn(C2CC2)c1=O)C1CC[NH+](C)CC1 ZINC000908914183 664136049 /nfs/dbraw/zinc/13/60/49/664136049.db2.gz SMXPWJNPIPICFX-UHFFFAOYSA-N 1 0 382.302 2.502 20 0 GFADRO C[C@H](CNC(=O)C(=O)N1CC[C@@H](C[NH3+])[C@@H](C)C1)c1c(Cl)cccc1Cl ZINC000911187176 664238001 /nfs/dbraw/zinc/23/80/01/664238001.db2.gz NEZGULTZEBNWSI-AGIUHOORSA-N 1 0 386.323 2.656 20 0 GFADRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)c1ccc(Cn2cc(Br)cn2)s1 ZINC000911200376 664238236 /nfs/dbraw/zinc/23/82/36/664238236.db2.gz HLGIZYNSTYJAHJ-CYBMUJFWSA-N 1 0 397.342 2.922 20 0 GFADRO C[C@@H](C(=O)N1CCc2[nH]cnc2[C@H]1c1ccc(Br)cc1)[NH+](C)C ZINC000911254052 664241276 /nfs/dbraw/zinc/24/12/76/664241276.db2.gz QEYSXRWZFUHUMI-MEDUHNTESA-N 1 0 377.286 2.596 20 0 GFADRO COc1ccccc1[C@H]([NH3+])CNC(=O)c1nc(C(C)C)ncc1Br ZINC000911665360 664252116 /nfs/dbraw/zinc/25/21/16/664252116.db2.gz POGHTWZJCFNZPT-CYBMUJFWSA-N 1 0 393.285 2.801 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)c1cc(Br)c(Br)[nH]1 ZINC000911686234 664253059 /nfs/dbraw/zinc/25/30/59/664253059.db2.gz YUZJFXMIDKWURY-OIBJUYFYSA-N 1 0 379.096 2.882 20 0 GFADRO O=C(NC[C@H]1CCCC[NH2+]1)c1cnn(Cc2ccccc2)c1Br ZINC000911714347 664253965 /nfs/dbraw/zinc/25/39/65/664253965.db2.gz PFAHUDLGRXNQDL-CQSZACIVSA-N 1 0 377.286 2.566 20 0 GFADRO C[C@@H](NC(=O)c1cc(Br)c(Br)[nH]1)[C@H]1CCC[NH2+]C1 ZINC000911726728 664254289 /nfs/dbraw/zinc/25/42/89/664254289.db2.gz VEFJNNRAJMMUOP-SFYZADRCSA-N 1 0 379.096 2.658 20 0 GFADRO CCCN(C(=O)c1cc2ccc(Br)cc2c(=O)o1)[C@@H]1CC[NH2+]C1 ZINC000911767807 664256108 /nfs/dbraw/zinc/25/61/08/664256108.db2.gz LUPMKILKXMDHSF-CYBMUJFWSA-N 1 0 379.254 2.770 20 0 GFADRO CN(C(=O)C[C@@H]1c2cccc(Br)c2NC1=O)C1CCC([NH3+])CC1 ZINC000911863708 664259560 /nfs/dbraw/zinc/25/95/60/664259560.db2.gz BREZAOUXYCIBRT-GCZXYKMCSA-N 1 0 380.286 2.603 20 0 GFADRO CC(C)c1ccc(NC(=O)c2cc(Br)cn(CC[NH3+])c2=O)cc1 ZINC000911927957 664262127 /nfs/dbraw/zinc/26/21/27/664262127.db2.gz IKZLUVQYRZTUQK-UHFFFAOYSA-N 1 0 378.270 2.945 20 0 GFADRO CN(Cc1ccc(Br)cc1)C(=O)[C@@H]1CC[NH2+][C@@H]([C@H]2CCCO2)C1 ZINC000912013596 664266188 /nfs/dbraw/zinc/26/61/88/664266188.db2.gz VRTNKDRZCZEDTC-DJIMGWMZSA-N 1 0 381.314 2.955 20 0 GFADRO C[C@@H]1C[NH2+]C[C@H]1CC(=O)N1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000912234783 664276947 /nfs/dbraw/zinc/27/69/47/664276947.db2.gz QWSQHDPNFRFDGX-TZMCWYRMSA-N 1 0 384.307 2.523 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)C(F)(F)c2ncccc2Br)C1 ZINC000912298291 664281081 /nfs/dbraw/zinc/28/10/81/664281081.db2.gz UNYLSUKEACTFJG-SNVBAGLBSA-N 1 0 376.245 2.925 20 0 GFADRO [NH3+]Cc1nc(CC(=O)Nc2ccc(Cl)cc2C(=O)N2CCCC2)cs1 ZINC000912301966 664281381 /nfs/dbraw/zinc/28/13/81/664281381.db2.gz WYYQQEIZQMBWFW-UHFFFAOYSA-N 1 0 378.885 2.672 20 0 GFADRO [NH3+]CCN1CCC[C@@H](C(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)C1=O ZINC000912394372 664284623 /nfs/dbraw/zinc/28/46/23/664284623.db2.gz NNWRPORIQFIWMV-CJNGLKHVSA-N 1 0 384.307 2.854 20 0 GFADRO C[N@@H+]1CCC[C@@](O)(CC(=O)Nc2ccc(Br)c3ncccc23)C1 ZINC000912514454 664291450 /nfs/dbraw/zinc/29/14/50/664291450.db2.gz XOCPLOMDJKXMEM-QGZVFWFLSA-N 1 0 378.270 2.783 20 0 GFADRO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)c1cc(Br)cn(C2CC2)c1=O ZINC000912523913 664292128 /nfs/dbraw/zinc/29/21/28/664292128.db2.gz RSQMKWXOVFGKOG-ZDUSSCGKSA-N 1 0 396.329 2.796 20 0 GFADRO CCN(CC)S(=O)(=O)c1cc(C(=O)OCC[NH+](CC)CC)ccc1Cl ZINC000912577543 664293683 /nfs/dbraw/zinc/29/36/83/664293683.db2.gz KTIOUEFMBOPXHL-UHFFFAOYSA-N 1 0 390.933 2.869 20 0 GFADRO O=C([C@@H]1CCO[C@H]1c1cncc(Br)c1)N1CCC([NH+]2CCC2)CC1 ZINC000912871664 664307074 /nfs/dbraw/zinc/30/70/74/664307074.db2.gz YDGKQITYBHFBBV-SJORKVTESA-N 1 0 394.313 2.618 20 0 GFADRO O=C(/C=C/c1ccc(I)o1)N1CCC([NH+]2CCC2)CC1 ZINC000912884644 664307315 /nfs/dbraw/zinc/30/73/15/664307315.db2.gz PMDVPLXJMKPTRU-HWKANZROSA-N 1 0 386.233 2.594 20 0 GFADRO COCC[C@H](Cc1cccc(Br)c1)C(=O)N1CC[C@H]([NH+]2CCC2)C1 ZINC000912917207 664309794 /nfs/dbraw/zinc/30/97/94/664309794.db2.gz WOGJOLGKBUGVJX-AEFFLSMTSA-N 1 0 395.341 2.951 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3cnnn3-c3cc(Cl)ccc3Cl)CC[C@H]21 ZINC000913760947 664356119 /nfs/dbraw/zinc/35/61/19/664356119.db2.gz UOYUIGLAQKOZEA-BXUZGUMPSA-N 1 0 380.279 2.740 20 0 GFADRO O=S(=O)(Cc1ccsc1Br)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000913926684 664365944 /nfs/dbraw/zinc/36/59/44/664365944.db2.gz JWQAFFPGTYJLFR-VXGBXAGGSA-N 1 0 379.345 2.557 20 0 GFADRO CC[NH+](CC)[C@@H](CNC(=O)NCc1cnc(Br)cn1)CC(C)C ZINC000913999611 664371066 /nfs/dbraw/zinc/37/10/66/664371066.db2.gz RLPUYGPGUCBAJY-CQSZACIVSA-N 1 0 386.338 2.795 20 0 GFADRO O=S(=O)(c1occc1Br)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000914055974 664373575 /nfs/dbraw/zinc/37/35/75/664373575.db2.gz RNCOFRNRTBXFIU-GFCCVEGCSA-N 1 0 377.304 2.681 20 0 GFADRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)NCc1cn(C)nc1Br ZINC000914098451 664376502 /nfs/dbraw/zinc/37/65/02/664376502.db2.gz CYQPMAAGLAMIRS-ZDUSSCGKSA-N 1 0 386.338 2.636 20 0 GFADRO O=S(=O)(NC1CC[NH+](C[C@@H]2CCCO2)CC1)c1cscc1C(F)F ZINC000914114933 664377898 /nfs/dbraw/zinc/37/78/98/664377898.db2.gz OFEYFNQOEJQYMK-LBPRGKRZSA-N 1 0 380.482 2.607 20 0 GFADRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)N1CCC[C@@H]1c1ncc(Br)cn1 ZINC000914161318 664380740 /nfs/dbraw/zinc/38/07/40/664380740.db2.gz WENXJFUHCYQLLX-SWLSCSKDSA-N 1 0 394.317 2.570 20 0 GFADRO C[C@H](CNC(=O)N1CCC[C@@H]1c1ncc(Br)cn1)C[NH+]1CCCC1 ZINC000914243350 664389688 /nfs/dbraw/zinc/38/96/88/664389688.db2.gz JMCKQURZXLZBGW-UKRRQHHQSA-N 1 0 396.333 2.818 20 0 GFADRO CC[NH+](CC)[C@H](CNC(=O)NCc1cn(C)nc1Br)c1ccco1 ZINC000915077662 664420875 /nfs/dbraw/zinc/42/08/75/664420875.db2.gz AVANLUQAJBMNQX-CYBMUJFWSA-N 1 0 398.305 2.658 20 0 GFADRO CCN1CC[NH+](CCCCNC(=O)/C=C/c2ccc(Br)o2)CC1 ZINC000915267648 664425739 /nfs/dbraw/zinc/42/57/39/664425739.db2.gz OOMSFLVWGNLEKJ-SOFGYWHQSA-N 1 0 384.318 2.589 20 0 GFADRO CC(C)[C@@H](CNS(=O)(=O)/C=C/c1ccc(Cl)cc1)N1CC[NH+](C)CC1 ZINC000915354550 664428933 /nfs/dbraw/zinc/42/89/33/664428933.db2.gz ILUYJNLPDBFSAG-INMULRNOSA-N 1 0 385.961 2.502 20 0 GFADRO CN(CCC[N@H+](C)Cc1ccco1)S(=O)(=O)c1occc1Br ZINC000915632501 664436324 /nfs/dbraw/zinc/43/63/24/664436324.db2.gz PTTRLXMKWVSNLJ-UHFFFAOYSA-N 1 0 391.287 2.778 20 0 GFADRO CC(C)C[C@H](C[NH+](C)C)NC(=O)/C=C/c1ccc(I)o1 ZINC000915704749 664438206 /nfs/dbraw/zinc/43/82/06/664438206.db2.gz ZWWFUXHPJSKEOO-WAFBPQNNSA-N 1 0 390.265 2.990 20 0 GFADRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)NCC2(n3cc(Br)cn3)CC2)C1 ZINC000916865009 664473334 /nfs/dbraw/zinc/47/33/34/664473334.db2.gz DOESYXGPMGPKAU-CQSZACIVSA-N 1 0 398.349 2.554 20 0 GFADRO CC(C)[NH2+]C1(CO)CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000917528241 664485419 /nfs/dbraw/zinc/48/54/19/664485419.db2.gz SEHXOIOKNFQRIZ-UHFFFAOYSA-N 1 0 381.325 2.507 20 0 GFADRO Cc1ccc(NC(=O)C(=O)NC[C@H](C)[NH+]2CCCCC2)c(Br)c1 ZINC000918465054 664499388 /nfs/dbraw/zinc/49/93/88/664499388.db2.gz JMOZPZNZQULHRA-ZDUSSCGKSA-N 1 0 382.302 2.687 20 0 GFADRO CC(C)[C@@H](C[NH+](C)C)NC(=O)C1CCN(C(=O)c2ccc(Cl)s2)CC1 ZINC000918693346 664502715 /nfs/dbraw/zinc/50/27/15/664502715.db2.gz HUVNVLLXGHOLML-CQSZACIVSA-N 1 0 385.961 2.956 20 0 GFADRO C[C@H]1CCC[N@@H+](C(C)(C)CNS(=O)(=O)c2c(Cl)nc3ccccn32)C1 ZINC000919730546 664517569 /nfs/dbraw/zinc/51/75/69/664517569.db2.gz DQZXBVJHUKGHRS-ZDUSSCGKSA-N 1 0 384.933 2.777 20 0 GFADRO COC(=O)N1CCC([NH2+]C[C@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000920092955 664522202 /nfs/dbraw/zinc/52/22/02/664522202.db2.gz ITKILWCTQIRIAE-ZDUSSCGKSA-N 1 0 377.268 2.554 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)N2CCCC[C@H]2c2ncc(Br)cn2)CC[N@@H+]1C ZINC000920404465 664525983 /nfs/dbraw/zinc/52/59/83/664525983.db2.gz OQINEWUWAKEMPI-YUELXQCFSA-N 1 0 396.333 2.958 20 0 GFADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)N1CCC[C@H]1c1ncc(Br)cn1 ZINC000921437785 664548433 /nfs/dbraw/zinc/54/84/33/664548433.db2.gz GUPKFWJEWTYDNC-GJZGRUSLSA-N 1 0 396.333 2.960 20 0 GFADRO Cc1nc(C[NH2+]C[C@]2(N3CCOCC3)CCSC2)sc1Br ZINC000921581770 664555276 /nfs/dbraw/zinc/55/52/76/664555276.db2.gz GTHARMQPKOVQLM-CQSZACIVSA-N 1 0 392.388 2.512 20 0 GFADRO C[NH+](C)CC[C@H](NC(=O)N[C@@H]1CC[C@@H]2SCCS[C@H]12)c1cccnc1 ZINC000921698157 664561603 /nfs/dbraw/zinc/56/16/03/664561603.db2.gz OUGURGQALSDSNV-VVLHAWIVSA-N 1 0 380.583 2.753 20 0 GFADRO C[C@@H](NC(=O)N1CCC[C@H]1c1ncc(Br)cn1)C1=CC[N@H+](C)CC1 ZINC000921881413 664574842 /nfs/dbraw/zinc/57/48/42/664574842.db2.gz PYGRRUUINXKEBT-DOMZBBRYSA-N 1 0 394.317 2.736 20 0 GFADRO C[C@@H](CCNC(=O)N(C)Cc1ncc(Br)cn1)[NH+]1CCCCC1 ZINC000921933633 664577155 /nfs/dbraw/zinc/57/71/55/664577155.db2.gz NMQNTVHLGQOVNG-ZDUSSCGKSA-N 1 0 384.322 2.645 20 0 GFADRO CN(C)C(=O)[C@@H]1CC[C@@H](C[NH2+]Cc2cc3c(cc(F)cc3Br)[nH]2)O1 ZINC000921966427 664579365 /nfs/dbraw/zinc/57/93/65/664579365.db2.gz GLFFAKXMRKXSMF-LRDDRELGSA-N 1 0 398.276 2.795 20 0 GFADRO Cc1nn(C)c(C[NH2+]CCCS(=O)(=O)c2ccc(Cl)cc2)c1Cl ZINC000922149149 664588046 /nfs/dbraw/zinc/58/80/46/664588046.db2.gz POTZRROUPBYJBK-UHFFFAOYSA-N 1 0 376.309 2.989 20 0 GFADRO COc1cc(OC)c(C[C@H](C)[NH2+]Cc2nc(Br)c[nH]2)c(OC)c1 ZINC000922158486 664588254 /nfs/dbraw/zinc/58/82/54/664588254.db2.gz JIBWYYAHIWEGSC-JTQLQIEISA-N 1 0 384.274 2.919 20 0 GFADRO Cn1nc2c(c1C[NH2+]C[C@@H](CO)Cc1ccc(F)c(Br)c1)CCC2 ZINC000922168359 664588572 /nfs/dbraw/zinc/58/85/72/664588572.db2.gz KNOLLYLBZHPPHW-ZDUSSCGKSA-N 1 0 396.304 2.751 20 0 GFADRO CCn1c(CNC(=O)N[C@H]2CC[N@H+](C)[C@H]2C)nc2cc(Br)ccc21 ZINC000922181288 664589072 /nfs/dbraw/zinc/58/90/72/664589072.db2.gz PHBTVJDJZLKNJY-AAEUAGOBSA-N 1 0 394.317 2.711 20 0 GFADRO CC[N@H+](CCNC(=O)N[C@@H]([C@H]1CCOC1)C(F)(F)F)CCC(F)(F)F ZINC000922188076 664589585 /nfs/dbraw/zinc/58/95/85/664589585.db2.gz NUQUJVXIXVMYQT-QWRGUYRKSA-N 1 0 379.345 2.527 20 0 GFADRO C[C@H](NC(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12)c1ccc(Br)cn1 ZINC000922291511 664593699 /nfs/dbraw/zinc/59/36/99/664593699.db2.gz ZONLIXMZUIKDJS-NILFDRSVSA-N 1 0 399.358 2.784 20 0 GFADRO CN1C(=O)N=NC1C[C@@H]1CCCC[C@@H]1[NH2+]Cc1ncc(C(F)(F)F)s1 ZINC000922404762 664599922 /nfs/dbraw/zinc/59/99/22/664599922.db2.gz PNIPYOQNCFJXIZ-UWVGGRQHSA-N 1 0 375.420 2.887 20 0 GFADRO CC(C)(C)NS(=O)(=O)C1(C[NH2+]Cc2cc(-n3ccnc3)cs2)CCC1 ZINC000922471089 664602960 /nfs/dbraw/zinc/60/29/60/664602960.db2.gz CPBGEUDCLOOITP-UHFFFAOYSA-N 1 0 382.555 2.664 20 0 GFADRO O=c1[nH]c(=O)n(CC(F)(F)F)cc1C[NH2+]Cc1csc(Br)c1 ZINC000922495288 664603986 /nfs/dbraw/zinc/60/39/86/664603986.db2.gz HDESBXBKRSLOSR-UHFFFAOYSA-N 1 0 398.204 2.625 20 0 GFADRO COc1cc(C[NH2+]C[C@]2(OC)CCSC2)cc(OC)c1OCC(F)F ZINC000922571415 664607268 /nfs/dbraw/zinc/60/72/68/664607268.db2.gz SXGKFGZCJXZZNB-QGZVFWFLSA-N 1 0 377.453 2.959 20 0 GFADRO CC(C)O[C@]1(C[NH2+]Cc2cn(-c3ccccc3Br)nn2)CCOC1 ZINC000922609716 664608196 /nfs/dbraw/zinc/60/81/96/664608196.db2.gz OZLGJGZZXHPFQT-KRWDZBQOSA-N 1 0 395.301 2.704 20 0 GFADRO CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NC(=O)NCC[C@@]1(C)CC1(Cl)Cl)C2 ZINC000922734692 664612652 /nfs/dbraw/zinc/61/26/52/664612652.db2.gz GLUXQOMQQHGEBJ-BIYBGRMPSA-N 1 0 392.371 2.739 20 0 GFADRO O=C1C[C@H](CC[NH2+]Cc2cc(Br)cc(Br)c2)CN1 ZINC000922778674 664614235 /nfs/dbraw/zinc/61/42/35/664614235.db2.gz NLXDXRCUNFYLOE-VIFPVBQESA-N 1 0 376.092 2.827 20 0 GFADRO C[N@@H+]1CCCC[C@H]1CCOC(=O)CCNC(=O)c1ccc(Br)cc1 ZINC000922801572 664614899 /nfs/dbraw/zinc/61/48/99/664614899.db2.gz YLYAAWKSHIECCS-INIZCTEOSA-N 1 0 397.313 2.987 20 0 GFADRO Cn1ncc(I)c1C[NH2+][C@H]1CCSC2(CCC2)C1 ZINC000922842083 664616296 /nfs/dbraw/zinc/61/62/96/664616296.db2.gz GMTILOZCTCKYFS-JTQLQIEISA-N 1 0 377.295 2.933 20 0 GFADRO Brc1cc2c(c(C[NH2+]C[C@H]3CCN3C3CCOCC3)c1)OCC2 ZINC000922956352 664620009 /nfs/dbraw/zinc/62/00/09/664620009.db2.gz ZDBOBQGEPBLJTM-QGZVFWFLSA-N 1 0 381.314 2.727 20 0 GFADRO Cn1cc(C[NH2+]CC[C@@H]2CCC3(CCC3)O2)c(I)n1 ZINC000922968615 664620361 /nfs/dbraw/zinc/62/03/61/664620361.db2.gz UGFKDGJNZQTLMF-LBPRGKRZSA-N 1 0 375.254 2.606 20 0 GFADRO Cn1nnc2c1C[C@@H]([NH2+]CC1=Cc3cc(Br)ccc3OC1)CC2 ZINC000922993520 664620588 /nfs/dbraw/zinc/62/05/88/664620588.db2.gz LKJRCVCLMTZMKB-AWEZNQCLSA-N 1 0 375.270 2.501 20 0 GFADRO CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NC(=O)NCCC[C@@H]1CC1(Cl)Cl)C2 ZINC000923096259 664622217 /nfs/dbraw/zinc/62/22/17/664622217.db2.gz ZZTAUZDQGXFBNI-WVCIDPQESA-N 1 0 392.371 2.739 20 0 GFADRO COc1cc(/C=C\C(=O)N2[C@@H]3CC[C@H]2C[N@H+](C)CC3)cc(Br)c1O ZINC000923307318 664628003 /nfs/dbraw/zinc/62/80/03/664628003.db2.gz SMXRMYSAXYRFGW-UZBOCLDFSA-N 1 0 395.297 2.872 20 0 GFADRO O[C@H](COc1ccc(Cl)cc1Cl)CN1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000923349777 664628785 /nfs/dbraw/zinc/62/87/85/664628785.db2.gz WVOIMCPDOCTPMS-DOTOQJQBSA-N 1 0 382.291 2.775 20 0 GFADRO Clc1ncc(CN2CC[NH2+]CCN(Cc3cnc(Cl)s3)CC2)s1 ZINC000923393977 664629481 /nfs/dbraw/zinc/62/94/81/664629481.db2.gz ASYXLJKIVIMGHD-UHFFFAOYSA-N 1 0 392.381 2.814 20 0 GFADRO Cc1nc(C)c(CN2CC[NH2+]CCN(Cc3sc(C)nc3C)CC2)s1 ZINC000923395307 664629505 /nfs/dbraw/zinc/62/95/05/664629505.db2.gz LSUCWKWEGNLMQC-UHFFFAOYSA-N 1 0 379.599 2.741 20 0 GFADRO COC(=O)c1cc(Br)c(CN2CCC[C@H]3[NH2+]CC[C@H]32)cc1OC ZINC000923415579 664630152 /nfs/dbraw/zinc/63/01/52/664630152.db2.gz GRRAYNAIWNLMKZ-HUUCEWRRSA-N 1 0 383.286 2.571 20 0 GFADRO O=C(NCc1cnc(Br)cn1)NC[C@H]1CC[N@@H+]1C1CCCCCC1 ZINC000923548182 664633875 /nfs/dbraw/zinc/63/38/75/664633875.db2.gz PAHRSGIYRMJUQN-OAHLLOKOSA-N 1 0 396.333 2.835 20 0 GFADRO Ic1cccc(-c2noc([C@@H]3C[N@@H+]4CCC[C@@H]4CO3)n2)c1 ZINC000923809438 664638240 /nfs/dbraw/zinc/63/82/40/664638240.db2.gz WYBMIKFQWUJVCU-OLZOCXBDSA-N 1 0 397.216 2.877 20 0 GFADRO C[NH+](C)C[C@@H]1NC(=O)N([C@@H](c2cc(F)cc(Br)c2)C2CC2)C1=O ZINC000924729351 664660433 /nfs/dbraw/zinc/66/04/33/664660433.db2.gz MNWRRKQASIXIMV-UONOGXRCSA-N 1 0 384.249 2.521 20 0 GFADRO C[C@H]([NH2+]CCNS(=O)(=O)c1cccc(Cl)c1)c1cnn(C2CCC2)c1 ZINC000924832556 664662454 /nfs/dbraw/zinc/66/24/54/664662454.db2.gz LAXXXAPMANHVLW-ZDUSSCGKSA-N 1 0 382.917 2.891 20 0 GFADRO C[C@@H]([NH2+]C[C@@H](O)c1cc2ccccc2s1)C1CCN(S(C)(=O)=O)CC1 ZINC000925265197 664669388 /nfs/dbraw/zinc/66/93/88/664669388.db2.gz QLZMZFGVBRGIIS-CZUORRHYSA-N 1 0 382.551 2.584 20 0 GFADRO CC[N@@H+]1CC[C@H](N2C(=O)N[C@@H](c3ccc(Br)c(Cl)c3)C2=O)C1 ZINC000925319933 664670544 /nfs/dbraw/zinc/67/05/44/664670544.db2.gz DGUYZCUMLJVCBA-GWCFXTLKSA-N 1 0 386.677 2.790 20 0 GFADRO CNc1cc(N2CCC[C@@H]2C[NH2+][C@H](C)c2cccc(Br)n2)ncn1 ZINC000925368630 664671132 /nfs/dbraw/zinc/67/11/32/664671132.db2.gz DOCAHRYXBLMMBD-CHWSQXEVSA-N 1 0 391.317 2.995 20 0 GFADRO C[C@H](C[NH2+][C@@H]1C(=O)NCC12CCOCC2)Sc1ccc(Br)cc1 ZINC000925391345 664671586 /nfs/dbraw/zinc/67/15/86/664671586.db2.gz VOOZXBHKBAIVTM-IUODEOHRSA-N 1 0 399.354 2.815 20 0 GFADRO O=C(NCC[NH2+][C@@H](C1CCC1)[C@H]1CCOC1)c1cccc(Br)c1 ZINC000925402083 664671962 /nfs/dbraw/zinc/67/19/62/664671962.db2.gz ZUVWZXXUWMXIIL-RDJZCZTQSA-N 1 0 381.314 2.974 20 0 GFADRO CC(C)n1cc(Br)c(C(=O)N2CCN(c3cc[nH+]cc3)C[C@H]2C)n1 ZINC000925504751 664672704 /nfs/dbraw/zinc/67/27/04/664672704.db2.gz MQDXSLBIOUHKRK-CYBMUJFWSA-N 1 0 392.301 2.972 20 0 GFADRO CN(CC[NH2+][C@@H]1CCC[C@@H]1Cc1ccccn1)S(=O)(=O)c1cccs1 ZINC000925577498 664673316 /nfs/dbraw/zinc/67/33/16/664673316.db2.gz SHUSKIAAGLHLTQ-NVXWUHKLSA-N 1 0 379.551 2.765 20 0 GFADRO Cc1ccc([C@@H]([NH2+]C[C@@]2(O)CCOC2)c2cncc(Br)c2)cc1 ZINC000925625380 664673757 /nfs/dbraw/zinc/67/37/57/664673757.db2.gz DJNGNGYSOXMZOE-MSOLQXFVSA-N 1 0 377.282 2.983 20 0 GFADRO C[C@@H]1CN(C(=O)Nc2cc3c(cc2Br)OCCO3)C[C@H]1CC[NH3+] ZINC000925909058 664677258 /nfs/dbraw/zinc/67/72/58/664677258.db2.gz CHALDQWVFRMFOR-GHMZBOCLSA-N 1 0 384.274 2.669 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)NC[C@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925908042 664677291 /nfs/dbraw/zinc/67/72/91/664677291.db2.gz CEGPVGBSLGTSJA-CYBMUJFWSA-N 1 0 396.285 2.564 20 0 GFADRO COC(=O)c1cc(NC(=O)N2C[C@@H]([NH3+])C(C)(C)C2)c(Br)cc1F ZINC000926046668 664679942 /nfs/dbraw/zinc/67/99/42/664679942.db2.gz SAHBBRBCPUIVEP-GFCCVEGCSA-N 1 0 388.237 2.576 20 0 GFADRO [NH3+]C1CCN(CCNC(=O)Nc2cc(Br)c(F)cc2Cl)CC1 ZINC000926059166 664680295 /nfs/dbraw/zinc/68/02/95/664680295.db2.gz QZYKFVRBJSYHCF-UHFFFAOYSA-N 1 0 393.688 2.786 20 0 GFADRO Cn1cc(NC(=O)NCCCCCC2CC[NH2+]CC2)cc(Br)c1=O ZINC000926063499 664680407 /nfs/dbraw/zinc/68/04/07/664680407.db2.gz CBJWWNSMANQBIM-UHFFFAOYSA-N 1 0 399.333 2.829 20 0 GFADRO COc1cc(OC)c(NC(=O)N2C[C@@H](C)[C@H](CC[NH3+])C2)cc1Br ZINC000926101661 664681665 /nfs/dbraw/zinc/68/16/65/664681665.db2.gz UWQUTIQJXKIKKF-GHMZBOCLSA-N 1 0 386.290 2.915 20 0 GFADRO Cc1csc([C@H](NC(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)C(F)(F)F)n1 ZINC000926131316 664682489 /nfs/dbraw/zinc/68/24/89/664682489.db2.gz XOMXZONGUAIGDM-PRJMDXOYSA-N 1 0 376.326 2.586 20 0 GFADRO Cc1cc(Br)nc(NC(=O)N2CCC3(CO[C@@H](C[NH3+])C3)CC2)c1 ZINC000926137055 664682609 /nfs/dbraw/zinc/68/26/09/664682609.db2.gz ROXNTLABIXLINU-GFCCVEGCSA-N 1 0 383.290 2.514 20 0 GFADRO Cc1cc(Br)cc(C(=O)N[C@@H]2C[C@@]3(C[N@@H+](C)[C@H]3C(C)C)C[C@H]2O)c1 ZINC000926157635 664683426 /nfs/dbraw/zinc/68/34/26/664683426.db2.gz CSHGLKJHGFNIMK-VXNCWWDNSA-N 1 0 395.341 2.967 20 0 GFADRO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NC(=O)C[C@@]3(C)CC3(Cl)Cl)C2)[C@@H]1C(C)C ZINC000926238182 664685109 /nfs/dbraw/zinc/68/51/09/664685109.db2.gz WQIJNWYSSIOPEB-WLGNDBIMSA-N 1 0 377.356 2.946 20 0 GFADRO O=S1(=O)CC(CC[NH2+][C@H](c2ccc(Br)cc2)c2cccnc2)C1 ZINC000926246456 664685287 /nfs/dbraw/zinc/68/52/87/664685287.db2.gz IELRAZZAHVKGLK-QGZVFWFLSA-N 1 0 395.322 2.958 20 0 GFADRO COc1cc([C@@H](C)[NH2+]C[C@@H](CO)Cc2cc(Br)ccc2OC)on1 ZINC000926542570 664691979 /nfs/dbraw/zinc/69/19/79/664691979.db2.gz NWHWRGJQEKACGE-NEPJUHHUSA-N 1 0 399.285 2.956 20 0 GFADRO C[C@H]([NH2+]C[C@@H](CO)Cc1cc(Br)ccc1F)c1cc(CO)on1 ZINC000926543152 664692021 /nfs/dbraw/zinc/69/20/21/664692021.db2.gz WAPXVNPKHQHJCY-QWRGUYRKSA-N 1 0 387.249 2.570 20 0 GFADRO CCO[C@H](CNC(=O)N(C)Cc1ccc(Br)s1)C[NH+](C)C ZINC000926822937 664697103 /nfs/dbraw/zinc/69/71/03/664697103.db2.gz QIHYMFVQVOTZHJ-LLVKDONJSA-N 1 0 378.336 2.619 20 0 GFADRO CCO[C@@H](CNC(=O)N(C)[C@@H](CO)c1cccc(Cl)c1Cl)C[NH+](C)C ZINC000926848766 664697737 /nfs/dbraw/zinc/69/77/37/664697737.db2.gz VUJFRNAOIYMWQL-WFASDCNBSA-N 1 0 392.327 2.635 20 0 GFADRO CSC1CCC(C[NH2+][C@@H](C)c2ccc(S(=O)(=O)CC(N)=O)cc2)CC1 ZINC000926876372 664698270 /nfs/dbraw/zinc/69/82/70/664698270.db2.gz BUCJUADAEDMFGR-HLIUYOAVSA-N 1 0 384.567 2.518 20 0 GFADRO CC[C@@H]([NH2+]CCc1cc(C)n(C)n1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000926910069 664698885 /nfs/dbraw/zinc/69/88/85/664698885.db2.gz JDUQYIIVTRZFLS-MRXNPFEDSA-N 1 0 384.933 2.573 20 0 GFADRO COc1cc(Br)cc(C[NH2+][C@H](C)c2cccc(S(N)(=O)=O)c2)c1 ZINC000926903337 664698892 /nfs/dbraw/zinc/69/88/92/664698892.db2.gz KSISOUXZLLUHJI-LLVKDONJSA-N 1 0 399.310 2.956 20 0 GFADRO Cc1cc(CC[NH2+][C@@H]2CCS(=O)(=O)c3ccc(Br)cc32)nn1C ZINC000926908657 664698906 /nfs/dbraw/zinc/69/89/06/664698906.db2.gz BASOQAPFZHRFGA-OAHLLOKOSA-N 1 0 398.326 2.542 20 0 GFADRO COc1cc(Br)cc(C[NH2+][C@H]2CCCC[C@@H]2S(C)(=O)=O)c1 ZINC000926904205 664698908 /nfs/dbraw/zinc/69/89/08/664698908.db2.gz WPSBIXPCPZDACQ-GJZGRUSLSA-N 1 0 376.316 2.903 20 0 GFADRO C[C@H]([NH2+]CCc1nc2c(s1)CCC2)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000926939372 664699259 /nfs/dbraw/zinc/69/92/59/664699259.db2.gz SJCZPFQFAUNQQG-ZDUSSCGKSA-N 1 0 379.551 2.775 20 0 GFADRO CCO[C@@H](CN[C@H](c1ccc(Br)cc1)c1cncnc1)C[NH+](C)C ZINC000926958924 664699457 /nfs/dbraw/zinc/69/94/57/664699457.db2.gz IOINSAGKWKVCOI-ZWKOTPCHSA-N 1 0 393.329 2.885 20 0 GFADRO Cc1cc([C@@H](Cc2ccccc2Cl)[NH2+]C[C@@H](O)CS(C)(=O)=O)cs1 ZINC000927021168 664702247 /nfs/dbraw/zinc/70/22/47/664702247.db2.gz BBFYWZGUBKWEMU-NVXWUHKLSA-N 1 0 387.954 2.989 20 0 GFADRO Cn1nccc1[C@@H](O)C[NH2+][C@@H](c1cccc(Br)c1)C1CCOCC1 ZINC000927126165 664704909 /nfs/dbraw/zinc/70/49/09/664704909.db2.gz DGLJHQQSSFSBFE-ZWKOTPCHSA-N 1 0 394.313 2.974 20 0 GFADRO Cn1nccc1[C@H](O)C[NH2+][C@@H](c1ccc(Br)cc1)[C@H]1CCCO1 ZINC000927128935 664704947 /nfs/dbraw/zinc/70/49/47/664704947.db2.gz FKGHHHXHNDWGKA-ZACQAIPSSA-N 1 0 380.286 2.726 20 0 GFADRO C[C@H]([NH2+][C@H]1C[C@@H](O)C12CCOCC2)c1ccccc1I ZINC000927165312 664705359 /nfs/dbraw/zinc/70/53/59/664705359.db2.gz UJZZPXMTQARCFX-TUKIKUTGSA-N 1 0 387.261 2.872 20 0 GFADRO Cn1cc(CNC(=O)[C@H](C[NH+]2CCCC2)c2ccccc2)c(Br)n1 ZINC000927622519 664712029 /nfs/dbraw/zinc/71/20/29/664712029.db2.gz JYNCXCGHVZZFQT-MRXNPFEDSA-N 1 0 391.313 2.678 20 0 GFADRO O=C(NC[C@@H]1CC[N@@H+]1C1CCOCC1)Nc1ccc(F)cc1Br ZINC000927644819 664713355 /nfs/dbraw/zinc/71/33/55/664713355.db2.gz LIMHONBJPVVDPP-ZDUSSCGKSA-N 1 0 386.265 2.963 20 0 GFADRO C[NH+](C)CCN(Cc1ccsc1)C(=O)NCc1nc2c(s1)COCC2 ZINC000927696731 664714159 /nfs/dbraw/zinc/71/41/59/664714159.db2.gz NADJGOOBQRMSEL-UHFFFAOYSA-N 1 0 380.539 2.551 20 0 GFADRO COc1ccc(Br)c(CC(=O)NCc2cc(N(C)C)cc[nH+]2)c1 ZINC000927701363 664714328 /nfs/dbraw/zinc/71/43/28/664714328.db2.gz RMAFRMWRZKDXHV-UHFFFAOYSA-N 1 0 378.270 2.778 20 0 GFADRO CSc1ccc(NC(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C2)cc1Cl ZINC000927849010 664716760 /nfs/dbraw/zinc/71/67/60/664716760.db2.gz MNOTZAXXNMSSRA-KOLCDFICSA-N 1 0 395.834 2.739 20 0 GFADRO [NH3+]CC[C@@H]1CCN(C(=O)C(=O)Nc2ccc(Br)c3ccccc23)C1 ZINC000927888428 664717272 /nfs/dbraw/zinc/71/72/72/664717272.db2.gz TYBLKWAIDDIBPB-GFCCVEGCSA-N 1 0 390.281 2.738 20 0 GFADRO C[C@@H]1CN(C(=O)C(=O)Nc2cc(Cl)cc(C(F)(F)F)c2)CC[C@@H]1C[NH3+] ZINC000927889133 664717383 /nfs/dbraw/zinc/71/73/83/664717383.db2.gz BIDRLVUDFDRUMO-NXEZZACHSA-N 1 0 377.794 2.741 20 0 GFADRO C[C@H]1CN(C(=O)C(=O)Nc2cc(Cl)cc(C(F)(F)F)c2)CC[C@@H]1C[NH3+] ZINC000927889135 664717414 /nfs/dbraw/zinc/71/74/14/664717414.db2.gz BIDRLVUDFDRUMO-VHSXEESVSA-N 1 0 377.794 2.741 20 0 GFADRO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(C(F)(F)F)cc2Cl)CC[C@H]1C[NH3+] ZINC000927894684 664717504 /nfs/dbraw/zinc/71/75/04/664717504.db2.gz NLVNZFJKKKOPQW-ZJUUUORDSA-N 1 0 377.794 2.741 20 0 GFADRO O=C(N[C@H]1CCC[N@@H+]2CCSC[C@@H]12)C1(c2cncc(Br)c2)CC1 ZINC000928086609 664722366 /nfs/dbraw/zinc/72/23/66/664722366.db2.gz QAFLTIWYCKTULY-GJZGRUSLSA-N 1 0 396.354 2.572 20 0 GFADRO COc1ccc(C(=O)N[C@H]2CCC[N@@H+]3CCSC[C@H]23)c(Br)c1 ZINC000928089425 664722449 /nfs/dbraw/zinc/72/24/49/664722449.db2.gz CVZMTSOYFJMOQX-LSDHHAIUSA-N 1 0 385.327 2.767 20 0 GFADRO Cc1cc(C(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@@H]23)c(C)n1CC(F)(F)F ZINC000928096121 664722804 /nfs/dbraw/zinc/72/28/04/664722804.db2.gz MDCJXMILPHYKQB-CABCVRRESA-N 1 0 375.460 2.977 20 0 GFADRO Cc1oc(-c2cccs2)nc1CC(=O)N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000928097759 664723066 /nfs/dbraw/zinc/72/30/66/664723066.db2.gz QFBRLAHVFOQOHF-DZGCQCFKSA-N 1 0 377.535 2.950 20 0 GFADRO Cc1ccc(-c2nc(CC(=O)N[C@@H]3CCC[N@@H+]4CCSC[C@@H]34)cs2)o1 ZINC000928097380 664723089 /nfs/dbraw/zinc/72/30/89/664723089.db2.gz ZYPDYIBONPODOB-CABCVRRESA-N 1 0 377.535 2.950 20 0 GFADRO C[NH+](C)Cc1ccc(C(=O)N2CCC[C@@H]2c2ncc(Br)cn2)cn1 ZINC000928356235 664729192 /nfs/dbraw/zinc/72/91/92/664729192.db2.gz CXVWZZCPNWKXIP-OAHLLOKOSA-N 1 0 390.285 2.673 20 0 GFADRO C[C@H]1[C@@H](NC(=O)c2nn(-c3ccc(F)cc3)cc2Br)CC[N@@H+]1C ZINC000928440098 664732508 /nfs/dbraw/zinc/73/25/08/664732508.db2.gz ASULTPLORFGPRD-HZMBPMFUSA-N 1 0 381.249 2.596 20 0 GFADRO C[C@H]1[C@@H](NC(=O)CSc2nnc(-c3cccs3)n2C2CC2)CC[N@@H+]1C ZINC000928436764 664732568 /nfs/dbraw/zinc/73/25/68/664732568.db2.gz ALLNHYFNCPSZSK-AAEUAGOBSA-N 1 0 377.539 2.642 20 0 GFADRO Cc1cc(COc2ccc(C(=O)NC[C@@H]3CC[N@H+]3C)cc2Br)no1 ZINC000928561444 664734949 /nfs/dbraw/zinc/73/49/49/664734949.db2.gz GUHRJGZRYLNVHZ-AWEZNQCLSA-N 1 0 394.269 2.758 20 0 GFADRO C[NH+](C)CC[C@H](NC(=O)c1nc(F)ccc1Br)c1cccnc1 ZINC000928833992 664740642 /nfs/dbraw/zinc/74/06/42/664740642.db2.gz RBKTYHIKIPVGDI-ZDUSSCGKSA-N 1 0 381.249 2.801 20 0 GFADRO O=C1CN(Cc2ccc(Cl)cc2)C(=O)N1[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000929012005 664745280 /nfs/dbraw/zinc/74/52/80/664745280.db2.gz KPNVCKXQUMREPM-JKSUJKDBSA-N 1 0 379.913 2.684 20 0 GFADRO COc1ccc([C@@H](C)NC(=O)COC2CC[NH+](C)CC2)cc1Br ZINC000929463204 664752818 /nfs/dbraw/zinc/75/28/18/664752818.db2.gz ATAUXCNTJYXTNL-GFCCVEGCSA-N 1 0 385.302 2.746 20 0 GFADRO C[C@@H]1C[N@@H+](CCCNC(=O)c2cc(Br)cnc2C2CC2)C[C@H](C)O1 ZINC000929631143 664755096 /nfs/dbraw/zinc/75/50/96/664755096.db2.gz OHWOLZKECAMBAS-BETUJISGSA-N 1 0 396.329 2.951 20 0 GFADRO CCOC(=O)[C@H](c1nc(Br)sc1C)N1CC[C@@H](C[NH+](C)C)C1 ZINC000929637602 664755458 /nfs/dbraw/zinc/75/54/58/664755458.db2.gz LDPQRUXAPFEJBF-AAEUAGOBSA-N 1 0 390.347 2.702 20 0 GFADRO C[C@@H]1C[N@H+](CCOC2CCSCC2)CCN1CCOC1CCSCC1 ZINC000929875894 664758999 /nfs/dbraw/zinc/75/89/99/664758999.db2.gz OBEGYVCVBBDPKT-QGZVFWFLSA-N 1 0 388.643 2.817 20 0 GFADRO C[C@@H]([NH2+]CC[S@@](=O)C(F)(F)F)c1cc(F)ccc1N1CCC(O)CC1 ZINC000930214478 664764717 /nfs/dbraw/zinc/76/47/17/664764717.db2.gz OFMILSNKFFOTDC-SSINHNECSA-N 1 0 382.423 2.706 20 0 GFADRO C[C@@H]([NH2+]CC[S@](=O)C(F)(F)F)c1cc(F)ccc1N1CCC(O)CC1 ZINC000930214472 664764721 /nfs/dbraw/zinc/76/47/21/664764721.db2.gz OFMILSNKFFOTDC-NDHGSNPTSA-N 1 0 382.423 2.706 20 0 GFADRO CC1(c2ccc(Br)cc2)CC[NH+](C[C@H](O)C[C@]2(O)CCOC2)CC1 ZINC000930320592 664767024 /nfs/dbraw/zinc/76/70/24/664767024.db2.gz ZQVPXEPWFOVJBD-IEBWSBKVSA-N 1 0 398.341 2.705 20 0 GFADRO O=C(Nc1cc(F)ccc1Br)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000930351033 664767841 /nfs/dbraw/zinc/76/78/41/664767841.db2.gz MWEKIDWDUQWBSZ-LSDHHAIUSA-N 1 0 386.265 2.651 20 0 GFADRO COCC[C@H]([NH2+]C[C@H](O)C[C@@]1(O)CCOC1)c1ccc(Cl)c(Cl)c1 ZINC000930370651 664768546 /nfs/dbraw/zinc/76/85/46/664768546.db2.gz PBFQJZTXOKGEGQ-COXVUDFISA-N 1 0 378.296 2.563 20 0 GFADRO C[NH+]1CCC(OCC(=O)N2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)CC1 ZINC000930455022 664771046 /nfs/dbraw/zinc/77/10/46/664771046.db2.gz GJKWKMMRKZEIMZ-QWRGUYRKSA-N 1 0 376.341 2.687 20 0 GFADRO O=C(NCC[NH+]1CCC(O)CC1)Nc1ccc(Br)c(Cl)c1 ZINC000930488291 664771704 /nfs/dbraw/zinc/77/17/04/664771704.db2.gz NYLOAGYAXUTROO-UHFFFAOYSA-N 1 0 376.682 2.681 20 0 GFADRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)c2cc(=O)n(C)cc2Br)C1 ZINC000930513632 664772197 /nfs/dbraw/zinc/77/21/97/664772197.db2.gz OZUFQPHJDHKATC-BETUJISGSA-N 1 0 398.345 2.634 20 0 GFADRO C[N@@H+]1C[C@H]2CCN(C(=O)Nc3cnn(-c4ccccc4Br)c3)[C@@H]2C1 ZINC000930548870 664772786 /nfs/dbraw/zinc/77/27/86/664772786.db2.gz MWUAGDLGPKUHQY-MLGOLLRUSA-N 1 0 390.285 2.803 20 0 GFADRO CC1(C)Cc2c(cccc2Br)[C@@H]1[NH2+]C[C@H](O)C[C@@]1(O)CCOC1 ZINC000930553825 664773062 /nfs/dbraw/zinc/77/30/62/664773062.db2.gz YFKQBMDRPKPMPL-PUECVXPYSA-N 1 0 384.314 2.565 20 0 GFADRO O=C(N[C@H]1CC[N@@H+](C2CC2)C1)c1cnn(Cc2ccccc2)c1Br ZINC000930672810 664775615 /nfs/dbraw/zinc/77/56/15/664775615.db2.gz DUNKQWXTMFVXIT-AWEZNQCLSA-N 1 0 389.297 2.660 20 0 GFADRO COC(=O)c1cncc(C[N@H+](C)C[C@H](O)c2cccc(Br)c2)c1 ZINC000930716553 664777068 /nfs/dbraw/zinc/77/70/68/664777068.db2.gz OLCRAHRUBQDBGS-INIZCTEOSA-N 1 0 379.254 2.796 20 0 GFADRO CCO[C@H](CNC(=O)Nc1cc(F)cc(F)c1Br)C[NH+](C)C ZINC000931026784 664783356 /nfs/dbraw/zinc/78/33/56/664783356.db2.gz BSSHZTNBZWKNDN-SNVBAGLBSA-N 1 0 380.233 2.816 20 0 GFADRO COC(=O)c1c(Br)ccc(NC(=O)N[C@H]2CC[N@H+](C)[C@H]2C)c1C ZINC000931079834 664784807 /nfs/dbraw/zinc/78/48/07/664784807.db2.gz DEQZWDZKJDALNH-GWCFXTLKSA-N 1 0 384.274 2.758 20 0 GFADRO COc1ccc(NC(=O)N[C@H]2CC[N@H+](C)[C@@H]2C)c(I)c1 ZINC000931089561 664785449 /nfs/dbraw/zinc/78/54/49/664785449.db2.gz WVKKQCVKBSPREB-SKDRFNHKSA-N 1 0 389.237 2.514 20 0 GFADRO CC[N@@H+]1CCC[C@@H](CNC(=O)C[C@@H]2C(=O)Nc3ccc(Br)cc32)C1 ZINC000931126324 664786756 /nfs/dbraw/zinc/78/67/56/664786756.db2.gz NWBQUBSNCHOAFF-WFASDCNBSA-N 1 0 394.313 2.723 20 0 GFADRO C[C@@H]1C[C@H](c2ccc(Br)cc2)C[N@@H+]1C[C@H](O)C1(O)CCOCC1 ZINC000931265904 664789831 /nfs/dbraw/zinc/78/98/31/664789831.db2.gz JDWSAUFMLOKJON-KMFMINBZSA-N 1 0 384.314 2.529 20 0 GFADRO Brc1ncn(CC[N@@H+]2CCC[C@H](c3c[nH]c4ncccc34)C2)n1 ZINC000931375383 664792828 /nfs/dbraw/zinc/79/28/28/664792828.db2.gz IZMHNCAPVRKVNE-LBPRGKRZSA-N 1 0 375.274 2.797 20 0 GFADRO C[N@H+](C[C@@H](O)CCC1(O)CCC1)C[C@H](O)COc1cc(Cl)cc(Cl)c1 ZINC000931381285 664793267 /nfs/dbraw/zinc/79/32/67/664793267.db2.gz YHIZRMLTPDZBRO-HOTGVXAUSA-N 1 0 392.323 2.721 20 0 GFADRO COC(=O)[C@@H](c1ccc(Cl)c(Cl)c1)N1CCC(O)(C[NH+](C)C)CC1 ZINC000931482092 664796100 /nfs/dbraw/zinc/79/61/00/664796100.db2.gz OQTNNJWRLXRDRM-OAHLLOKOSA-N 1 0 375.296 2.596 20 0 GFADRO OCCCCC[NH+]1CCN(C[C@H](O)COc2cc(Cl)cc(Cl)c2)CC1 ZINC000931492890 664796326 /nfs/dbraw/zinc/79/63/26/664796326.db2.gz QGQJMOKVKGOMCH-KRWDZBQOSA-N 1 0 391.339 2.513 20 0 GFADRO C[C@@H](C(=O)Nc1cccc(Br)c1)N1CC[NH+](CCCCCO)CC1 ZINC000931499479 664796528 /nfs/dbraw/zinc/79/65/28/664796528.db2.gz XYXZMILHSIKUQK-HNNXBMFYSA-N 1 0 398.345 2.556 20 0 GFADRO Nc1cc[nH+]c2c1CN(CCC(=O)Nc1ccccc1Br)CC2 ZINC000931513910 664797059 /nfs/dbraw/zinc/79/70/59/664797059.db2.gz MSAJGPHFDSTVCF-UHFFFAOYSA-N 1 0 375.270 2.813 20 0 GFADRO COC1(OC)CC[N@H+](CCCCOc2ccc(Br)cc2)C[C@H]1O ZINC000931632194 664801008 /nfs/dbraw/zinc/80/10/08/664801008.db2.gz UZJYMXFJGVECCC-MRXNPFEDSA-N 1 0 388.302 2.664 20 0 GFADRO NC(=O)C[N@H+](CCCCOc1ccc(Br)cc1)C1CCOCC1 ZINC000931695133 664802943 /nfs/dbraw/zinc/80/29/43/664802943.db2.gz WPIYODVNVHJPCT-UHFFFAOYSA-N 1 0 385.302 2.574 20 0 GFADRO Cc1cc(Cl)c(NC(=O)NCC[NH+]2CCC(O)CC2)cc1Br ZINC000931727207 664803679 /nfs/dbraw/zinc/80/36/79/664803679.db2.gz QVFCDEBBYZHYQP-UHFFFAOYSA-N 1 0 390.709 2.989 20 0 GFADRO CN(Cc1cc(Br)cs1)C(=O)CN1[C@@H]2CC[C@H]1C[N@H+](C)CC2 ZINC000931725516 664803712 /nfs/dbraw/zinc/80/37/12/664803712.db2.gz YJUOWHQLVYIBDK-KGLIPLIRSA-N 1 0 386.359 2.638 20 0 GFADRO Cc1cc(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](C3OCCO3)C2)ccc1Br ZINC000932001290 664808556 /nfs/dbraw/zinc/80/85/56/664808556.db2.gz AVKBMWHEIPHJIH-OLZOCXBDSA-N 1 0 383.286 2.779 20 0 GFADRO C[C@]1([C@H]2CCC[N@H+](C[C@@H](O)c3ccccc3Br)C2)COC(=O)N1 ZINC000932021769 664809061 /nfs/dbraw/zinc/80/90/61/664809061.db2.gz OMJTUWKLRNJQHD-XGWLTEMNSA-N 1 0 383.286 2.693 20 0 GFADRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)Nc1nnc(C(F)(F)C(F)(F)F)s1 ZINC000932089162 664809887 /nfs/dbraw/zinc/80/98/87/664809887.db2.gz BJKUEGQNYZHCLG-POYBYMJQSA-N 1 0 385.362 2.796 20 0 GFADRO COc1ncc(Br)cc1CN1CCC([C@]2(C)COC(=O)N2)CC1 ZINC000932100094 664810168 /nfs/dbraw/zinc/81/01/68/664810168.db2.gz NYELCMJKJGDTFP-INIZCTEOSA-N 1 0 384.274 2.563 20 0 GFADRO O=C(c1cnn2cccc(Br)c12)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000932274422 664817867 /nfs/dbraw/zinc/81/78/67/664817867.db2.gz XPIALWMLTBCVQB-CYBMUJFWSA-N 1 0 377.286 2.797 20 0 GFADRO COC(=O)c1cnc([C@H]2CC[N@H+](C[C@@H](O)Cc3cccc(Cl)c3)C2)s1 ZINC000932674055 664831674 /nfs/dbraw/zinc/83/16/74/664831674.db2.gz VREUKFHFJRXPHQ-ZFWWWQNUSA-N 1 0 380.897 2.976 20 0 GFADRO C[NH+]1CCC(N(Cc2ccco2)C(=O)c2ncc(Br)cn2)CC1 ZINC000932692933 664832030 /nfs/dbraw/zinc/83/20/30/664832030.db2.gz IAFKCQVATUITPQ-UHFFFAOYSA-N 1 0 379.258 2.569 20 0 GFADRO C[NH+](C)CCC1CCN(C(=O)c2nc(Br)c3ccccn32)CC1 ZINC000932719812 664833157 /nfs/dbraw/zinc/83/31/57/664833157.db2.gz QZWVPYKUVWBPSP-UHFFFAOYSA-N 1 0 379.302 2.901 20 0 GFADRO Cc1ncc(NC(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)c(C)c1Br ZINC000932767301 664836052 /nfs/dbraw/zinc/83/60/52/664836052.db2.gz PFJBMIZOUYEZLT-CQSZACIVSA-N 1 0 397.317 2.524 20 0 GFADRO CC[NH+](CC)CC[C@H](CO)NC(=O)Nc1cnc(C)c(Br)c1C ZINC000932778122 664837587 /nfs/dbraw/zinc/83/75/87/664837587.db2.gz WDBGUMUJOVHUDV-CYBMUJFWSA-N 1 0 387.322 2.675 20 0 GFADRO CO[C@H](C[N@@H+]1CCC[C@@](O)(c2ccc(Br)cc2)C1)[C@@H]1CCOC1 ZINC000932815853 664840028 /nfs/dbraw/zinc/84/00/28/664840028.db2.gz RNBCQWXAMPPUGI-OLMNPRSZSA-N 1 0 384.314 2.784 20 0 GFADRO C[NH+](C)C1(CNC(=O)c2cc(F)cc(Br)c2F)CCOCC1 ZINC000932824072 664840790 /nfs/dbraw/zinc/84/07/90/664840790.db2.gz GGYIWDAFFBPYBN-UHFFFAOYSA-N 1 0 377.229 2.568 20 0 GFADRO COc1ncc(NC(=O)N2CC[C@H]3[C@H](CC[N@@H+]3C)C2)c(C)c1Br ZINC000932960824 664845675 /nfs/dbraw/zinc/84/56/75/664845675.db2.gz SOXOJSFTKWNLJS-YPMHNXCESA-N 1 0 383.290 2.719 20 0 GFADRO O[C@H](COc1cc(Cl)ccc1Cl)C[NH+]1CCC2(CC1)C[C@@H](O)CCO2 ZINC000933066201 664848980 /nfs/dbraw/zinc/84/89/80/664848980.db2.gz MSVYZIDBXFHOGS-GJZGRUSLSA-N 1 0 390.307 2.739 20 0 GFADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)Nc1c(F)ccc(Br)c1F ZINC000933289874 664854762 /nfs/dbraw/zinc/85/47/62/664854762.db2.gz JUMORWHMMNRKJS-SNVBAGLBSA-N 1 0 392.244 2.960 20 0 GFADRO C[N@@H+](Cc1cccc(=O)[nH]1)C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000933398694 664862240 /nfs/dbraw/zinc/86/22/40/664862240.db2.gz FLRALGCFQLWKCG-CQSZACIVSA-N 1 0 385.233 2.561 20 0 GFADRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1cc(Br)c2nccnc2c1 ZINC000933433289 664863553 /nfs/dbraw/zinc/86/35/53/664863553.db2.gz CYMVVTARYKTTPV-NHYWBVRUSA-N 1 0 377.286 2.805 20 0 GFADRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1cc2ccc(Br)cc2c(=O)o1 ZINC000933433498 664863580 /nfs/dbraw/zinc/86/35/80/664863580.db2.gz DPDPTUKKDSEUKC-ABAIWWIYSA-N 1 0 393.281 2.968 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc3c(Br)cnn3c2)[C@@H](C)C1 ZINC000933437438 664863980 /nfs/dbraw/zinc/86/39/80/664863980.db2.gz DGALXIRHEIIIJT-WFASDCNBSA-N 1 0 379.302 2.899 20 0 GFADRO CN(C(=O)c1cc2ccc(Br)cc2c(=O)o1)[C@@H]1CCC[N@H+](C)C1 ZINC000933486415 664866659 /nfs/dbraw/zinc/86/66/59/664866659.db2.gz PRARJUDCEVZBBE-CYBMUJFWSA-N 1 0 379.254 2.722 20 0 GFADRO CC[NH+](CC)[C@H]1CCN(C(=O)C[C@H]2C(=O)Nc3c2cccc3Br)C1 ZINC000933794434 664878091 /nfs/dbraw/zinc/87/80/91/664878091.db2.gz NKEWQMXJRPJPIT-GXTWGEPZSA-N 1 0 394.313 2.818 20 0 GFADRO O=C(c1cc(Br)cnc1C1CC1)N1CC[NH+](C2CCOCC2)CC1 ZINC000934044173 664888744 /nfs/dbraw/zinc/88/87/44/664888744.db2.gz QLSIBCSGRNVSGP-UHFFFAOYSA-N 1 0 394.313 2.658 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)C[N@@H+]1CCCCCNC(=O)CC1 ZINC000934160310 664891170 /nfs/dbraw/zinc/89/11/70/664891170.db2.gz WZXONSUJYVBQOR-UHFFFAOYSA-N 1 0 382.302 2.688 20 0 GFADRO O=C(CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2CCO)Nc1cc(Cl)ccc1Cl ZINC000934264760 664895599 /nfs/dbraw/zinc/89/55/99/664895599.db2.gz PEXYTSQREUEAAK-DLBZAZTESA-N 1 0 386.323 2.853 20 0 GFADRO C[N@@H+]1CCC[C@H]1CCN1CCn2c(c(Br)nc2C(F)(F)F)C1 ZINC000934325220 664898873 /nfs/dbraw/zinc/89/88/73/664898873.db2.gz NMEASVUQNAJTDH-JTQLQIEISA-N 1 0 381.240 2.964 20 0 GFADRO C[NH+](C)[C@@]1(CNC(=O)Nc2c(Br)cnn2C2CC2)CCSC1 ZINC000934372970 664903155 /nfs/dbraw/zinc/90/31/55/664903155.db2.gz ULPKFVWDIHSEJH-CQSZACIVSA-N 1 0 388.335 2.539 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)c2cc(Br)c3nccnc3c2)C[N@@H+]1C1CC1 ZINC000934397792 664905286 /nfs/dbraw/zinc/90/52/86/664905286.db2.gz QCURBCIBXZEKMA-PWSUYJOCSA-N 1 0 375.270 2.747 20 0 GFADRO C[C@](CO)([NH2+]C[C@@H]1CCC2(CCOCC2)O1)c1cccc(Br)c1 ZINC000934492773 664908335 /nfs/dbraw/zinc/90/83/35/664908335.db2.gz GIVHMOZPCMTCOD-DLBZAZTESA-N 1 0 384.314 2.974 20 0 GFADRO Cc1[nH]nc(Br)c1C(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000934786421 664921766 /nfs/dbraw/zinc/92/17/66/664921766.db2.gz ULGDFPBWQWXZMU-AWEZNQCLSA-N 1 0 377.286 2.827 20 0 GFADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3ccc4c(Br)cnn4c3)CC[C@@H]21 ZINC000934890491 664928372 /nfs/dbraw/zinc/92/83/72/664928372.db2.gz NLZQZTJWPIUIIH-DOMZBBRYSA-N 1 0 377.286 2.653 20 0 GFADRO Cc1cc(C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)oc1Br ZINC000934915209 664929864 /nfs/dbraw/zinc/92/98/64/664929864.db2.gz WPDPTZSVSYSBLM-KBPBESRZSA-N 1 0 385.302 2.848 20 0 GFADRO CC(C)c1ncc(Br)c(C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)n1 ZINC000934952124 664931721 /nfs/dbraw/zinc/93/17/21/664931721.db2.gz QTNZCEDSUIYLBZ-GXTWGEPZSA-N 1 0 381.318 2.919 20 0 GFADRO CC(C)[NH+]1CCC(N2CCN(C(=O)c3cc(C=O)sc3Cl)CC2)CC1 ZINC000934984187 664932616 /nfs/dbraw/zinc/93/26/16/664932616.db2.gz JMTHSKDNTUAZFW-UHFFFAOYSA-N 1 0 383.945 2.845 20 0 GFADRO COc1cc(Br)cc(C(=O)N2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)c1 ZINC000935019273 664934335 /nfs/dbraw/zinc/93/43/35/664934335.db2.gz UUHHJCUMGAXLMV-DJIMGWMZSA-N 1 0 397.313 2.781 20 0 GFADRO C[NH+]1CCC([C@H]2CCN(C(=O)c3nc(Br)c4ccccn43)C2)CC1 ZINC000935086138 664938991 /nfs/dbraw/zinc/93/89/91/664938991.db2.gz WUFRBGUYLKTVEX-AWEZNQCLSA-N 1 0 391.313 2.901 20 0 GFADRO C[N@H+](CCCO)C1CCN(C(=O)c2cc(Br)cnc2C2CC2)CC1 ZINC000935105723 664940080 /nfs/dbraw/zinc/94/00/80/664940080.db2.gz AAKWSZFEQBSOMY-UHFFFAOYSA-N 1 0 396.329 2.640 20 0 GFADRO CN(CCC[NH+](C)C)C(=O)c1cc(Br)cnc1Br ZINC000935244459 664948364 /nfs/dbraw/zinc/94/83/64/664948364.db2.gz VSGHKWJEKDYUBL-UHFFFAOYSA-N 1 0 379.096 2.630 20 0 GFADRO C[C@@H](NC(=O)c1ncc(Br)cn1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000935288349 664951051 /nfs/dbraw/zinc/95/10/51/664951051.db2.gz UFLOBQVLRGFKFH-UKRRQHHQSA-N 1 0 389.297 2.880 20 0 GFADRO CCN(C(=O)c1ncc(Br)cn1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000935391966 664958960 /nfs/dbraw/zinc/95/89/60/664958960.db2.gz PKFQXRARRLAMNS-INIZCTEOSA-N 1 0 389.297 2.976 20 0 GFADRO CC(C)(C)[NH2+]CCC(=O)NCc1nc(-c2cccc(Br)c2)no1 ZINC000935728320 664984688 /nfs/dbraw/zinc/98/46/88/664984688.db2.gz FVTFRMOIENFBTB-UHFFFAOYSA-N 1 0 381.274 2.894 20 0 GFADRO O=C(NCC[N@H+]1CC=CCC1)c1cnn(Cc2ccccc2)c1Br ZINC000935749284 664986635 /nfs/dbraw/zinc/98/66/35/664986635.db2.gz NOWMEPDFQPGQNE-UHFFFAOYSA-N 1 0 389.297 2.686 20 0 GFADRO Cn1cc(Br)c(C(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)cc1=O ZINC000935790983 664989207 /nfs/dbraw/zinc/98/92/07/664989207.db2.gz DDXFAJCMUVBGPK-AWEZNQCLSA-N 1 0 396.329 2.675 20 0 GFADRO Cc1[nH]nc(Br)c1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H]1C ZINC000936004887 665003631 /nfs/dbraw/zinc/00/36/31/665003631.db2.gz FBOXLCHQNWTUBY-JSGCOSHPSA-N 1 0 377.286 2.873 20 0 GFADRO C[C@H]1CCC[N@@H+]1CC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccsc1Cl)C2 ZINC000996389814 665031579 /nfs/dbraw/zinc/03/15/79/665031579.db2.gz ONMJHEGXKWYSLI-NEBZKDRISA-N 1 0 381.929 2.748 20 0 GFADRO C[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccsc1Cl ZINC000998074479 665038579 /nfs/dbraw/zinc/03/85/79/665038579.db2.gz CRMDAMKODVGRED-UNQGMJICSA-N 1 0 381.929 2.748 20 0 GFADRO Cc1csc(Cl)c1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H]1CCC[N@H+]1C ZINC000999033182 665042183 /nfs/dbraw/zinc/04/21/83/665042183.db2.gz NALPWLRDLBWQLB-ZOBORPQBSA-N 1 0 381.929 2.666 20 0 GFADRO C[N@H+](CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(Cl)cs1)C2)C1CCC1 ZINC001002614348 665055514 /nfs/dbraw/zinc/05/55/14/665055514.db2.gz JERDLWBPZIPJJG-KFWWJZLASA-N 1 0 381.929 2.748 20 0 GFADRO C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2cscc2Cl)C1 ZINC001004359457 665064023 /nfs/dbraw/zinc/06/40/23/665064023.db2.gz IEFCJQLBMBWETE-BHTHQVBYSA-N 1 0 381.929 2.605 20 0 GFADRO [NH3+]C[C@@H]1CCCC[C@@]12NC(=O)N(Cc1cccc(F)c1Br)C2=O ZINC000390966950 677408967 /nfs/dbraw/zinc/40/89/67/677408967.db2.gz HBJMTDGRLDDWQD-MEDUHNTESA-N 1 0 384.249 2.528 20 0 GFADRO COc1ccc(C[C@H](CO)C[NH2+]Cc2nc(C)c(C)[nH]2)cc1Br ZINC000580216714 677673828 /nfs/dbraw/zinc/67/38/28/677673828.db2.gz FEEHTOPIMUTRIS-AWEZNQCLSA-N 1 0 382.302 2.738 20 0 GFADRO CSC[C@H](CCO)[NH2+]C[C@H](O)COc1ccc(Cl)cc1Br ZINC000580311763 677674132 /nfs/dbraw/zinc/67/41/32/677674132.db2.gz PYZSYCSLCCAIRG-RYUDHWBXSA-N 1 0 398.750 2.546 20 0 GFADRO CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccc(Cl)s2)[C@@H](n2ccnn2)C1 ZINC001070006440 677675877 /nfs/dbraw/zinc/67/58/77/677675877.db2.gz WFQMLWVCBXCZDI-SYQHCUMBSA-N 1 0 379.917 2.548 20 0 GFADRO O=C1COC2(C1)CCN(c1ccc3c(n1)CC[N@@H+](Cc1ccccc1)C3)CC2 ZINC001164390409 718827023 /nfs/dbraw/zinc/82/70/23/718827023.db2.gz OIQMKIWBZGYQSC-UHFFFAOYSA-N 1 0 377.488 2.968 20 0 GFADRO OC[C@]12C[NH2+]C[C@@H]1CN(C(F)(F)Oc1ccc(-c3ccnc(Cl)c3)cc1)C2 ZINC001164409504 718852032 /nfs/dbraw/zinc/85/20/32/718852032.db2.gz VKUOKEZFRVHRPH-CRAIPNDOSA-N 1 0 395.837 2.845 20 0 GFADRO CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@@H]2N1C(F)(F)c1cc(Cl)ncc1Cl ZINC001164614141 719012898 /nfs/dbraw/zinc/01/28/98/719012898.db2.gz CRMFHXWMZIANOI-ZHAHWJHGSA-N 1 0 380.222 2.663 20 0 GFADRO CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@H]2N1C(F)(F)C1(c2ccc(Cl)nc2)CC1 ZINC001164617143 719019492 /nfs/dbraw/zinc/01/94/92/719019492.db2.gz MNKVICIDYGIKRY-KWCYVHTRSA-N 1 0 385.842 2.585 20 0 GFADRO COC(=O)c1cnc(Cl)c(C(F)(F)N2C[C@@H](CF)[C@H](C3([NH3+])CC3)C2)c1 ZINC001164622569 719121822 /nfs/dbraw/zinc/12/18/22/719121822.db2.gz PJNPBYIKESSWFG-ZYHUDNBSSA-N 1 0 377.794 2.580 20 0 GFADRO C[N@@H+]1CCO[C@H]2CN(c3ccc(-c4ccc(N5CCCCC5)cc4)nn3)C[C@H]21 ZINC001164666138 719469791 /nfs/dbraw/zinc/46/97/91/719469791.db2.gz BWDMHMSEUXMBTR-RTWAWAEBSA-N 1 0 379.508 2.653 20 0 GFADRO Cc1nc(Cl)cc(C(F)(F)n2nc(CN(C)C(C)C)c3c2C[NH2+]CC3)n1 ZINC001164686116 719609886 /nfs/dbraw/zinc/60/98/86/719609886.db2.gz YGUPIMRJMHJCGE-UHFFFAOYSA-N 1 0 384.862 2.718 20 0 GFADRO CC(C)N(C)Cc1nn(-c2ccc(-c3ccccc3F)nn2)c2c1CC[NH2+]C2 ZINC001164680612 719645210 /nfs/dbraw/zinc/64/52/10/719645210.db2.gz YJUQMGUMUJIYSB-UHFFFAOYSA-N 1 0 380.471 2.954 20 0 GFADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1nnc(Cl)c3ccsc31)CC2 ZINC001164685079 719708435 /nfs/dbraw/zinc/70/84/35/719708435.db2.gz QSYWIQDHHIWPMR-UHFFFAOYSA-N 1 0 379.917 2.526 20 0 GFADRO COC(=O)c1cnc(N2CCC3(CCC[N@@H+]3Cc3csc(C)n3)CC2)cn1 ZINC001164692802 719803251 /nfs/dbraw/zinc/80/32/51/719803251.db2.gz PMTSDOGNNBHNED-UHFFFAOYSA-N 1 0 387.509 2.663 20 0 GFADRO COCOc1ccc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)nc1 ZINC001164696653 719892601 /nfs/dbraw/zinc/89/26/01/719892601.db2.gz GNEATOZERZQZKW-UHFFFAOYSA-N 1 0 389.521 2.997 20 0 GFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ncc3cccc(OC)c3n1)C2 ZINC001164816215 720121541 /nfs/dbraw/zinc/12/15/41/720121541.db2.gz YLSZICLVBQIWEC-PGRDOPGGSA-N 1 0 382.508 2.823 20 0 GFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1nccnc1Cl)C2 ZINC001164813656 720155261 /nfs/dbraw/zinc/15/52/61/720155261.db2.gz DBGVRTQGJCLTOB-YOEHRIQHSA-N 1 0 386.874 2.860 20 0 GFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ncc3ncn(C(C)C)c3n1)C2 ZINC001164813629 720170293 /nfs/dbraw/zinc/17/02/93/720170293.db2.gz CVZDHEGEJIUEQF-UWJYYQICSA-N 1 0 384.528 2.592 20 0 GFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ncnc3cccc(OC)c31)C2 ZINC001164813589 720172951 /nfs/dbraw/zinc/17/29/51/720172951.db2.gz CMKCJFXXSFIBIC-HTAPYJJXSA-N 1 0 382.508 2.823 20 0 GFADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1ncc(F)cc1Cl)CCC2 ZINC001164814014 720219195 /nfs/dbraw/zinc/21/91/95/720219195.db2.gz QZMLKPVCYARKKO-UHFFFAOYSA-N 1 0 379.867 2.681 20 0 GFADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1ncnc3cccc(F)c31)CCC2 ZINC001164814708 720224880 /nfs/dbraw/zinc/22/48/80/720224880.db2.gz VWIBRQWQGBKPGV-UHFFFAOYSA-N 1 0 396.470 2.576 20 0 GFADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2ncnc3sccc32)CC1 ZINC001164820324 720287403 /nfs/dbraw/zinc/28/74/03/720287403.db2.gz VTPIHDIPNLUFTD-DLBZAZTESA-N 1 0 385.537 2.603 20 0 GFADRO Cc1nc(C)c(N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c(Cl)n1 ZINC001164818947 720312810 /nfs/dbraw/zinc/31/28/10/720312810.db2.gz BWPGQFVMWQHNBW-SJORKVTESA-N 1 0 391.947 2.658 20 0 GFADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2ncnc3c(F)cccc32)CC1 ZINC001164824594 720313272 /nfs/dbraw/zinc/31/32/72/720313272.db2.gz SAERYMCJSPSDBO-RBUKOAKNSA-N 1 0 397.498 2.680 20 0 GFADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2cc3ccccc3nn2)CC1 ZINC001164831944 720320322 /nfs/dbraw/zinc/32/03/22/720320322.db2.gz SINZWUAPXSJHCF-UXHICEINSA-N 1 0 379.508 2.541 20 0 GFADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2ccc3ncc(F)cc3n2)CC1 ZINC001164823967 720333093 /nfs/dbraw/zinc/33/30/93/720333093.db2.gz CGSKXTFCMXSRQC-VQTJNVASSA-N 1 0 397.498 2.680 20 0 GFADRO c1cncc(C[N@@H+]2CC[C@@H]3[C@@H]2CCN3c2ncnc3cc4c(cc32)OCCO4)c1 ZINC001164725627 720348904 /nfs/dbraw/zinc/34/89/04/720348904.db2.gz OMPTZJZAOJLGRJ-RBUKOAKNSA-N 1 0 389.459 2.649 20 0 GFADRO Cc1noc([C@@H]2CC[C@@H]3[C@@H](CCN3c3cccc(OCC[NH+]4CCCC4)n3)O2)n1 ZINC001164828785 720406225 /nfs/dbraw/zinc/40/62/25/720406225.db2.gz LGFDJBBNIANMMT-KURKYZTESA-N 1 0 399.495 2.747 20 0 GFADRO C[C@@H]1CCCN(c2cc(N3CC[C@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)ncn2)C1 ZINC001164735033 720462725 /nfs/dbraw/zinc/46/27/25/720462725.db2.gz VBSMRTILFRLLPB-HOJAQTOUSA-N 1 0 378.524 2.961 20 0 GFADRO COC(=O)C[C@@H](c1ccnc(N2Cc3nccn3C[C@H](C[NH+](C)C)C2)c1)C1CC1 ZINC001164734541 720522933 /nfs/dbraw/zinc/52/29/33/720522933.db2.gz PZUWCUFDVMRIKC-QFBILLFUSA-N 1 0 397.523 2.533 20 0 GFADRO CC(C)[N@H+]1[C@@H]2CCN(c3ncnc4cnc(F)cc43)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164834745 720524282 /nfs/dbraw/zinc/52/42/82/720524282.db2.gz HLBIFZORZLDUJE-JTDSTZFVSA-N 1 0 395.486 2.738 20 0 GFADRO Cc1nc2ccc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cccn5)[N@H+]4C(C)C)C3)nc2n1C ZINC001164842146 720545396 /nfs/dbraw/zinc/54/53/96/720545396.db2.gz WYTBGWWJTXEGBU-CMKODMSKSA-N 1 0 393.539 2.851 20 0 GFADRO Cc1cccc2c1nc(Cl)nc2N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001164737623 720667099 /nfs/dbraw/zinc/66/70/99/720667099.db2.gz GPXNENLZTBSSIW-GJZGRUSLSA-N 1 0 396.882 2.724 20 0 GFADRO FC(F)c1nc2ccccc2c(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)n1 ZINC001164738194 720776119 /nfs/dbraw/zinc/77/61/19/720776119.db2.gz DYMUYPGQKABXRM-UONOGXRCSA-N 1 0 398.417 2.699 20 0 GFADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@H](NC(=O)C3CCC3)[C@@H]3COC[C@H]32)nc1 ZINC001164845873 720804366 /nfs/dbraw/zinc/80/43/66/720804366.db2.gz HKNSHZYMCOVGLU-UWHLTILDSA-N 1 0 398.551 2.748 20 0 GFADRO c1ncn(C[C@@H]2C[C@@H]3CN(c4nncc5ccccc54)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164737357 720819615 /nfs/dbraw/zinc/81/96/15/720819615.db2.gz AGNRAZIUOKUHHX-SVFBPWRDSA-N 1 0 389.507 2.601 20 0 GFADRO c1ncn(C[C@@H]2C[C@H]3CN(c4ccc5c(n4)CCC5)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164744451 720823395 /nfs/dbraw/zinc/82/33/95/720823395.db2.gz UGJYQFOSECMHNI-IRFCIJBXSA-N 1 0 378.524 2.541 20 0 GFADRO c1ncn(C[C@@H]2C[C@@H]3CN(c4ccc5c(n4)CCC5)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164744452 720823537 /nfs/dbraw/zinc/82/35/37/720823537.db2.gz UGJYQFOSECMHNI-SVFBPWRDSA-N 1 0 378.524 2.541 20 0 GFADRO COCC[N@@H+]1CCO[C@@H]2CN(c3ncnc4sc(C(C)C)cc43)CC[C@@H]2C1 ZINC001164848867 720832403 /nfs/dbraw/zinc/83/24/03/720832403.db2.gz NNZQOFKFJFWMDI-NVXWUHKLSA-N 1 0 390.553 2.988 20 0 GFADRO COCC[N@@H+]1CCO[C@@H]2CN(C(F)(F)c3ccnc(Cl)c3F)CC[C@@H]2C1 ZINC001164850862 720835504 /nfs/dbraw/zinc/83/55/04/720835504.db2.gz FNFCTBVSRQQXDM-TZMCWYRMSA-N 1 0 393.837 2.593 20 0 GFADRO CSc1cccc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164744743 720845359 /nfs/dbraw/zinc/84/53/59/720845359.db2.gz LNYAKMPFXRZNII-OKZBNKHCSA-N 1 0 384.553 2.774 20 0 GFADRO COCC[N@@H+]1CCO[C@H]2CN(c3nc(Cl)nc4sc(C)cc43)CC[C@H]2C1 ZINC001164856539 720846988 /nfs/dbraw/zinc/84/69/88/720846988.db2.gz WTRDHPADTZSHTC-ZFWWWQNUSA-N 1 0 396.944 2.827 20 0 GFADRO CC(C)(C)c1ccc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nn1 ZINC001164744571 720848384 /nfs/dbraw/zinc/84/83/84/720848384.db2.gz KQTNWBQLOZWJII-IPMKNSEASA-N 1 0 395.555 2.745 20 0 GFADRO c1ncn(C[C@@H]2C[C@H]3CN(c4cc(C5CCC5)ncn4)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164750194 720854588 /nfs/dbraw/zinc/85/45/88/720854588.db2.gz OOHHYBLSSFDLPN-IRFCIJBXSA-N 1 0 393.539 2.715 20 0 GFADRO Cc1cnnc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)c1 ZINC001164749774 720877060 /nfs/dbraw/zinc/87/70/60/720877060.db2.gz HVOBTNKGXULIRG-GMAHTHKFSA-N 1 0 393.535 2.935 20 0 GFADRO COCC[N@@H+]1CCO[C@H]2CN(c3ccc(-c4cc(C)ccc4C)nn3)CC[C@H]2C1 ZINC001164863667 720879793 /nfs/dbraw/zinc/87/97/93/720879793.db2.gz TYJZDPTZAMCAPO-UGKGYDQZSA-N 1 0 396.535 2.934 20 0 GFADRO COCC[N@@H+]1CCO[C@H]2CN(c3nc(C4CCC4)nc(Cl)c3C)CC[C@H]2C1 ZINC001164865084 720887946 /nfs/dbraw/zinc/88/79/46/720887946.db2.gz YEBNFWWIQYNJSI-IRXDYDNUSA-N 1 0 394.947 2.879 20 0 GFADRO COCC[N@@H+]1CCO[C@@H]2CN(c3c(F)ccc4c(Cl)ncnc43)CC[C@@H]2C1 ZINC001164864752 720890650 /nfs/dbraw/zinc/89/06/50/720890650.db2.gz WXCVUNUDCWTFPW-CZUORRHYSA-N 1 0 394.878 2.596 20 0 GFADRO Clc1cc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)nc(C2CC2)n1 ZINC001164867715 721055804 /nfs/dbraw/zinc/05/58/04/721055804.db2.gz JTEWMCXUUXLBKY-SJORKVTESA-N 1 0 385.899 2.882 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4ncnc5c(Cl)cccc54)C[C@@H]3C2)cn1 ZINC001164762125 721093159 /nfs/dbraw/zinc/09/31/59/721093159.db2.gz CNYZDUBJFAKZAM-HOTGVXAUSA-N 1 0 382.899 2.975 20 0 GFADRO COc1cccc2cnc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)nc21 ZINC001164862774 721094732 /nfs/dbraw/zinc/09/47/32/721094732.db2.gz AGYYSGFHHKPHPM-RBUKOAKNSA-N 1 0 391.475 2.513 20 0 GFADRO Fc1ccc2nc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)ncc2c1 ZINC001164865348 721119712 /nfs/dbraw/zinc/11/97/12/721119712.db2.gz KICCWTUVHBMSKI-RBUKOAKNSA-N 1 0 379.439 2.644 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4ncc5c(Cl)cccc5n4)C[C@@H]3C2)cn1 ZINC001164763439 721146292 /nfs/dbraw/zinc/14/62/92/721146292.db2.gz FXBVFKMFCZCCCN-HOTGVXAUSA-N 1 0 382.899 2.975 20 0 GFADRO c1coc(-c2ccc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)nn2)c1 ZINC001164878961 721161251 /nfs/dbraw/zinc/16/12/51/721161251.db2.gz RCFQHLAOKGUEKM-ZWKOTPCHSA-N 1 0 377.448 2.611 20 0 GFADRO CSc1ncc(Cl)nc1N1C[C@H]2CC[N@H+](Cc3cnn(C)c3)C[C@@H]2C1 ZINC001164761993 721188163 /nfs/dbraw/zinc/18/81/63/721188163.db2.gz BJURBYGPCWHUTK-ZIAGYGMSSA-N 1 0 378.933 2.544 20 0 GFADRO CCc1nc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)c(Cl)nc1C ZINC001164870941 721190142 /nfs/dbraw/zinc/19/01/42/721190142.db2.gz XSZSPOJGGYLXOP-DLBZAZTESA-N 1 0 387.915 2.876 20 0 GFADRO COc1cccc2c1ccnc2N1C[C@@H]2C[N@@H+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001164767012 721213894 /nfs/dbraw/zinc/21/38/94/721213894.db2.gz JYPWYBQSWHKUJB-MSOLQXFVSA-N 1 0 377.492 2.935 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4nccnc4Oc4ccccc4)C[C@H]3C2)cn1 ZINC001164764965 721226448 /nfs/dbraw/zinc/22/64/48/721226448.db2.gz HIBJBNRRGTXPDW-RBUKOAKNSA-N 1 0 390.491 2.961 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4nc(C5CCC5)nc5[nH]ccc54)C[C@@H]3C2)cn1 ZINC001164765544 721249579 /nfs/dbraw/zinc/24/95/79/721249579.db2.gz SAIZJXGTTKVUIS-MSOLQXFVSA-N 1 0 391.523 2.917 20 0 GFADRO Cc1cc(N2CCC3(CC2)COCC[N@@H+](CC(=O)N(C)C)C3)nc2ccccc12 ZINC001164868944 721270394 /nfs/dbraw/zinc/27/03/94/721270394.db2.gz GQYXAWPXCAMSMF-UHFFFAOYSA-N 1 0 396.535 2.550 20 0 GFADRO COc1cccc(N2CCC[C@@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)n1 ZINC001164777863 721339798 /nfs/dbraw/zinc/33/97/98/721339798.db2.gz JONKOJGKOWQDMV-OAQYLSRUSA-N 1 0 386.496 2.814 20 0 GFADRO Cc1nc(N2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)nc(C)c1Cl ZINC001164891999 721419901 /nfs/dbraw/zinc/41/99/01/721419901.db2.gz XVGOKCWXQAVXAW-YLJYHZDGSA-N 1 0 393.963 2.512 20 0 GFADRO Cc1cc(C(C)C)nc(N2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)n1 ZINC001164891362 721449117 /nfs/dbraw/zinc/44/91/17/721449117.db2.gz UMKBNZFVFIMHPP-DENIHFKCSA-N 1 0 387.572 2.674 20 0 GFADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cnc3cc[nH]c3n1)CC2 ZINC001164789412 721450262 /nfs/dbraw/zinc/45/02/62/721450262.db2.gz VOUIMGMRNZTISM-GOSISDBHSA-N 1 0 399.539 2.692 20 0 GFADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3O[C@@H](C(=O)NCC4CC4)C[C@H]32)nc1 ZINC001164893281 721459445 /nfs/dbraw/zinc/45/94/45/721459445.db2.gz YXXSVRRXJXTHDH-MXEMCNAFSA-N 1 0 398.551 2.891 20 0 GFADRO Fc1cccc(O[C@@H]2C[C@@H]3CN(c4nccc(N5CCCC5)n4)CC[N@@H+]3C2)c1 ZINC001164897279 721507954 /nfs/dbraw/zinc/50/79/54/721507954.db2.gz FOOXMNDRQONIRE-IEBWSBKVSA-N 1 0 383.471 2.558 20 0 GFADRO Cc1cnc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)nc1N1CCCC1 ZINC001164900299 721508163 /nfs/dbraw/zinc/50/81/63/721508163.db2.gz PXQDVLSACTZDQQ-UYAOXDASSA-N 1 0 397.498 2.866 20 0 GFADRO CCOC(=O)c1ccnc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)c1 ZINC001164804419 721529765 /nfs/dbraw/zinc/52/97/65/721529765.db2.gz JQXMJJXHZAVCGP-DYXWJJEUSA-N 1 0 396.491 2.522 20 0 GFADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncnc3c2CCCC3)[C@@H]2CCCO[C@@H]12 ZINC001164800764 721548661 /nfs/dbraw/zinc/54/86/61/721548661.db2.gz DMWDTDHLJHDSCI-NJDAHSKKSA-N 1 0 379.508 2.619 20 0 GFADRO Cc1noc(-c2cccnc2N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)n1 ZINC001164903149 721554282 /nfs/dbraw/zinc/55/42/82/721554282.db2.gz BAJVOMPDIZJPLU-WMZOPIPTSA-N 1 0 395.438 2.921 20 0 GFADRO O=C1Cc2cc(N3CCC(F)(F)[C@]4(CC[N@H+](Cc5ccccn5)C4)C3)ncc2N1 ZINC001164903780 721586909 /nfs/dbraw/zinc/58/69/09/721586909.db2.gz CKUVRQGQWRXIDZ-FQEVSTJZSA-N 1 0 399.445 2.709 20 0 GFADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2cnc3cc(Cl)ccc3n2)CC1 ZINC001165011109 721736014 /nfs/dbraw/zinc/73/60/14/721736014.db2.gz LRAGZMRIRZUBKF-UHFFFAOYSA-N 1 0 387.915 2.806 20 0 GFADRO CN(C)C(=O)c1ccc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)nc1 ZINC001165028918 721808742 /nfs/dbraw/zinc/80/87/42/721808742.db2.gz YCQQWTBOEPNSTE-JBACZVJFSA-N 1 0 393.535 2.915 20 0 GFADRO C[C@@H]1C(=O)Nc2ncnc(N3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)c21 ZINC001165025301 721815393 /nfs/dbraw/zinc/81/53/93/721815393.db2.gz MFRDWTXVIQTUHP-LAQRGFTBSA-N 1 0 392.507 2.664 20 0 GFADRO CCOc1cc2ncnc(N3CC[C@H]4[C@H]3CC[N@@H+]4CCN(C)C)c2cc1OCC ZINC001164926045 721864181 /nfs/dbraw/zinc/86/41/81/721864181.db2.gz QGYPOAAUIOUHCO-RBUKOAKNSA-N 1 0 399.539 2.642 20 0 GFADRO COc1cc2c(cc1Cl)ncnc2N1CC[C@H]2[C@@H]1CC[N@@H+]2CCN(C)C ZINC001164927971 721864541 /nfs/dbraw/zinc/86/45/41/721864541.db2.gz XQBCTWFUPQROPJ-IRXDYDNUSA-N 1 0 375.904 2.506 20 0 GFADRO COc1cc2c(cc1Cl)ncnc2N1CC[C@@H]2[C@H]1CC[N@@H+]2CCN(C)C ZINC001164927970 721864787 /nfs/dbraw/zinc/86/47/87/721864787.db2.gz XQBCTWFUPQROPJ-IAGOWNOFSA-N 1 0 375.904 2.506 20 0 GFADRO O=C(C[C@@H]1OC[C@H]2CN(c3ncccc3C[NH+]3CCCC3)CC[C@@H]21)NC1CCC1 ZINC001164934660 721897751 /nfs/dbraw/zinc/89/77/51/721897751.db2.gz RUFKBHYSFZIWBB-GIVPXCGWSA-N 1 0 398.551 2.578 20 0 GFADRO Fc1ccc(Cn2ccc3c2ncnc3N2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC001165039877 721911738 /nfs/dbraw/zinc/91/17/38/721911738.db2.gz WICZFMCNAOEYBH-IBGZPJMESA-N 1 0 395.482 2.920 20 0 GFADRO c1ccc(-c2nc3ccccc3c(N3CC[NH+](C[C@H]4CCCO4)CC3)n2)nc1 ZINC001165036821 721917812 /nfs/dbraw/zinc/91/78/12/721917812.db2.gz DEBKKQNHLRSHLE-QGZVFWFLSA-N 1 0 375.476 2.993 20 0 GFADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4nccc(C)c4C(N)=O)CC3)C2)cc1 ZINC001164940809 721925280 /nfs/dbraw/zinc/92/52/80/721925280.db2.gz VCWAYZVWNIOYSZ-UHFFFAOYSA-N 1 0 394.519 2.669 20 0 GFADRO CN(CC1CC[NH+](C)CC1)c1cc(N2CCN(c3ccccc3)CC2)ncn1 ZINC001165042049 721938090 /nfs/dbraw/zinc/93/80/90/721938090.db2.gz CUBYCDUAAJVKMV-UHFFFAOYSA-N 1 0 380.540 2.581 20 0 GFADRO COC[C@]12COC[C@H]1CN(c1ccc3c(n1)CC[N@@H+](Cc1ccccc1)C3)C2 ZINC001164951726 721992693 /nfs/dbraw/zinc/99/26/93/721992693.db2.gz NEMAUVBOEMAENL-NFBKMPQASA-N 1 0 379.504 2.739 20 0 GFADRO c1cc2ncnc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)c2s1 ZINC001164986594 722100700 /nfs/dbraw/zinc/10/07/00/722100700.db2.gz ZKTJWGJLJJGWQX-AEFFLSMTSA-N 1 0 381.505 2.814 20 0 GFADRO COc1cc(Cl)cc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164973995 722114883 /nfs/dbraw/zinc/11/48/83/722114883.db2.gz IHBZRTATUULGLV-AEFFLSMTSA-N 1 0 388.899 2.866 20 0 GFADRO c1cncc(C[N@@H+]2CCO[C@H]3CN(c4nccc5cnccc54)CC[C@@H]3C2)c1 ZINC001164970987 722128793 /nfs/dbraw/zinc/12/87/93/722128793.db2.gz BAQZGPDKJFCVLO-CTNGQTDRSA-N 1 0 375.476 2.752 20 0 GFADRO FC(F)c1ccnc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164982100 722135923 /nfs/dbraw/zinc/13/59/23/722135923.db2.gz QZQOZVTVRSVGJA-RDJZCZTQSA-N 1 0 375.423 2.537 20 0 GFADRO c1coc(-c2ccc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)nn2)c1 ZINC001164985081 722147526 /nfs/dbraw/zinc/14/75/26/722147526.db2.gz ZEFGPIAEELNCJI-WIYYLYMNSA-N 1 0 391.475 2.859 20 0 GFADRO C[NH+](C)CCOCc1ncn2c1CN(c1cc(Cl)nc3c1CCC3)CCC2 ZINC001165000507 722251915 /nfs/dbraw/zinc/25/19/15/722251915.db2.gz QNSJQGFJSPEERB-UHFFFAOYSA-N 1 0 389.931 2.909 20 0 GFADRO Cc1nc(N2CCCn3cnc(COCC[NH+](C)C)c3C2)nc2ccccc12 ZINC001164999863 722253052 /nfs/dbraw/zinc/25/30/52/722253052.db2.gz HKODJNJSPKJATM-UHFFFAOYSA-N 1 0 380.496 2.623 20 0 GFADRO C[C@H]1C[C@@H]([NH3+])CN1C(=O)Nc1nnc(-c2cccc(Br)c2)s1 ZINC000632933607 532651178 /nfs/dbraw/zinc/65/11/78/532651178.db2.gz BTDJMBRTACSYHW-GZMMTYOYSA-N 1 0 382.287 2.921 20 0 GFADRO Cc1occc1C(=O)NCC(=O)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000053358986 205136077 /nfs/dbraw/zinc/13/60/77/205136077.db2.gz JHCDVCLSLOGHLJ-INIZCTEOSA-N 1 0 383.492 2.866 20 0 GFADRO C[NH+]1CCN(Cc2cccc(NC(=O)c3cc(Br)c[nH]3)c2)CC1 ZINC000057054589 205153389 /nfs/dbraw/zinc/15/33/89/205153389.db2.gz NNGWTLUETOOBDQ-UHFFFAOYSA-N 1 0 377.286 2.777 20 0 GFADRO O=C(CCCNC(=O)c1ccco1)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000058157531 205166538 /nfs/dbraw/zinc/16/65/38/205166538.db2.gz UXPCTXDZHDCKDK-LJQANCHMSA-N 1 0 383.492 2.961 20 0 GFADRO Cc1ccc(Br)cc1S(=O)(=O)NCC1([NH+](C)C)CCCC1 ZINC000097173674 206125190 /nfs/dbraw/zinc/12/51/90/206125190.db2.gz XZKHEKICRZHXFI-UHFFFAOYSA-N 1 0 375.332 2.910 20 0 GFADRO CS(=O)(=O)N1CCC[C@@H]([NH2+]Cc2cc(Br)c(Cl)s2)C1 ZINC000400211321 563534457 /nfs/dbraw/zinc/53/44/57/563534457.db2.gz FQUYMHOJVFKGDW-MRVPVSSYSA-N 1 0 387.752 2.678 20 0 GFADRO COc1ccc(Br)cc1S(=O)(=O)N1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000405321576 563539024 /nfs/dbraw/zinc/53/90/24/563539024.db2.gz RQFDOUIVWHGAIP-AAEUAGOBSA-N 1 0 391.331 2.596 20 0 GFADRO OC[C@@H]([NH2+]Cc1ccc(I)cc1Cl)[C@H]1CCCOC1 ZINC000411981588 563643059 /nfs/dbraw/zinc/64/30/59/563643059.db2.gz BJUOGNIBIQLKGE-SMDDNHRTSA-N 1 0 395.668 2.822 20 0 GFADRO C[NH+](C)[C@H]1CCC[C@@H]1NS(=O)(=O)c1cccc(Cl)c1Br ZINC000414463990 563740999 /nfs/dbraw/zinc/74/09/99/563740999.db2.gz LEFVZAUXVKXSSQ-QWRGUYRKSA-N 1 0 381.723 2.864 20 0 GFADRO COc1ccc(Br)cc1S(=O)(=O)NCC[NH+]1CCCCCC1 ZINC000024683022 551119848 /nfs/dbraw/zinc/11/98/48/551119848.db2.gz ANWZRDIAJRDFRS-UHFFFAOYSA-N 1 0 391.331 2.612 20 0 GFADRO Cc1cccc(C(=O)NC2CC[NH+](C3CC3)CC2)c1I ZINC000033240952 551133426 /nfs/dbraw/zinc/13/34/26/551133426.db2.gz WHVKYRJPHUQUKC-UHFFFAOYSA-N 1 0 384.261 2.956 20 0 GFADRO Cc1cc(S(=O)(=O)NCC[NH+]2CCC(C)CC2)ccc1Br ZINC000040436034 551134492 /nfs/dbraw/zinc/13/44/92/551134492.db2.gz VPIGPKZDVLNKQS-UHFFFAOYSA-N 1 0 375.332 2.768 20 0 GFADRO CC[NH+](CC)[C@H](C)CNC(=O)Cc1cc2c(cc1Br)OCCO2 ZINC000041914867 551136870 /nfs/dbraw/zinc/13/68/70/551136870.db2.gz GZOQZYVHSBILQZ-GFCCVEGCSA-N 1 0 385.302 2.609 20 0 GFADRO C[C@@H]1C[N@@H+](CCCNC(=O)COc2ccc(Cl)cc2Cl)C[C@H](C)O1 ZINC000042120066 551138057 /nfs/dbraw/zinc/13/80/57/551138057.db2.gz RYQQZDXSERVGFN-BETUJISGSA-N 1 0 375.296 2.988 20 0 GFADRO CC(C)[C@@H](CNC(=O)CSCc1cccc(Cl)c1)N1CC[NH+](C)CC1 ZINC000042578428 551139581 /nfs/dbraw/zinc/13/95/81/551139581.db2.gz IZVOAHRIAMAOSH-GOSISDBHSA-N 1 0 383.989 2.961 20 0 GFADRO Cc1csc(N2CCN(C(=O)NC[C@H](c3cccs3)[NH+](C)C)CC2)n1 ZINC000043145250 551140953 /nfs/dbraw/zinc/14/09/53/551140953.db2.gz VUYWBGWOIBRDNN-CQSZACIVSA-N 1 0 379.555 2.648 20 0 GFADRO C[C@H](CNS(=O)(=O)c1ccc(OC(F)F)c(Cl)c1)C[NH+]1CCCC1 ZINC000055265390 551172329 /nfs/dbraw/zinc/17/23/29/551172329.db2.gz MHFGDFKHHKGZAQ-LLVKDONJSA-N 1 0 382.860 2.952 20 0 GFADRO C[C@H](CNS(=O)(=O)c1ccc(F)cc1Br)C[NH+]1CCCC1 ZINC000055265182 551172417 /nfs/dbraw/zinc/17/24/17/551172417.db2.gz CPEUEAFFKJGCKP-LLVKDONJSA-N 1 0 379.295 2.598 20 0 GFADRO C[C@H](CC[NH+](C)C)NC(=O)NC[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000068591455 551192616 /nfs/dbraw/zinc/19/26/16/551192616.db2.gz MICAUUKMNGIBLN-CABCVRRESA-N 1 0 397.361 2.915 20 0 GFADRO C[C@@H]1CCC[N@H+](CC(=O)NCC(=O)Nc2ccccc2Br)CC1 ZINC000068837731 551193637 /nfs/dbraw/zinc/19/36/37/551193637.db2.gz RWLOTFDZHYXFBP-CYBMUJFWSA-N 1 0 382.302 2.626 20 0 GFADRO O=c1cc(C[N@@H+](CCCO)Cc2ccc(Cl)c(Cl)c2)[nH]c2ccnn21 ZINC000068831282 551193647 /nfs/dbraw/zinc/19/36/47/551193647.db2.gz PDUVZPPBHKMNFO-UHFFFAOYSA-N 1 0 381.263 2.714 20 0 GFADRO CCC[N@@H+]1CCC[C@@H]1C(=O)Nc1ncn(Cc2cccc(Br)c2)n1 ZINC000107040795 551201301 /nfs/dbraw/zinc/20/13/01/551201301.db2.gz YDNYZDLOHAIQQY-OAHLLOKOSA-N 1 0 392.301 2.902 20 0 GFADRO C[C@H]1CCC[N@H+](CCNC(=O)c2cc(=O)c3cc(Br)ccc3[nH]2)C1 ZINC000112629679 551206021 /nfs/dbraw/zinc/20/60/21/551206021.db2.gz FVSHCGZLWJAOSD-LBPRGKRZSA-N 1 0 392.297 2.752 20 0 GFADRO COc1cc(Br)c(C[N@@H+]2CCC[C@H](Cn3ccnn3)C2)cc1OC ZINC000119153168 551215872 /nfs/dbraw/zinc/21/58/72/551215872.db2.gz WAQZXDPXTFPDIC-ZDUSSCGKSA-N 1 0 395.301 2.970 20 0 GFADRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)c2ccc(Br)cc2-n2cncn2)C1 ZINC000120933133 551223273 /nfs/dbraw/zinc/22/32/73/551223273.db2.gz CIEOBEKBWWDSBC-KBPBESRZSA-N 1 0 392.301 2.632 20 0 GFADRO Cc1cccc(NC(=O)C(=O)N2CCC(CC[NH+](C)C)CC2)c1Br ZINC000120976511 551224355 /nfs/dbraw/zinc/22/43/55/551224355.db2.gz ZRHCSZYWZMCRTP-UHFFFAOYSA-N 1 0 396.329 2.886 20 0 GFADRO Cc1cccc(NC(=O)C(=O)NC2CCC(C[NH+](C)C)CC2)c1Br ZINC000121164933 551228815 /nfs/dbraw/zinc/22/88/15/551228815.db2.gz JTCRGUPGECZXBS-UHFFFAOYSA-N 1 0 396.329 2.933 20 0 GFADRO O=C(Nc1ccc(Br)cn1)C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000121255627 551230740 /nfs/dbraw/zinc/23/07/40/551230740.db2.gz GKALDZVQVIGOIO-HUUCEWRRSA-N 1 0 382.302 2.798 20 0 GFADRO CCOc1c(Br)cc(C(=O)NC[C@H]2CC[N@H+](CC)C2)cc1OC ZINC000121560604 551237238 /nfs/dbraw/zinc/23/72/38/551237238.db2.gz BJLZRKQBWUZKMG-GFCCVEGCSA-N 1 0 385.302 2.928 20 0 GFADRO C[N@H+](Cc1csc(-c2ccc(F)cc2)n1)C1CCN(S(C)(=O)=O)CC1 ZINC000121699640 551239725 /nfs/dbraw/zinc/23/97/25/551239725.db2.gz YHDSKBCJSQYPBO-UHFFFAOYSA-N 1 0 383.514 2.805 20 0 GFADRO CCC[C@H]1CN(C[C@H](O)c2ccc(Br)cc2)CC[N@@H+]1CCOC ZINC000121798624 551242745 /nfs/dbraw/zinc/24/27/45/551242745.db2.gz WXYLYUGFJIDQTP-ROUUACIJSA-N 1 0 385.346 2.915 20 0 GFADRO C[NH+](C)CC[C@H](NC(=O)c1cncc(I)c1)C(C)(C)C ZINC000121824645 551243406 /nfs/dbraw/zinc/24/34/06/551243406.db2.gz IGDDOAIBGPNFEI-ZDUSSCGKSA-N 1 0 389.281 2.782 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)c1ccc(-n2cc(Br)cn2)cc1 ZINC000121834516 551243668 /nfs/dbraw/zinc/24/36/68/551243668.db2.gz GUVJIFCBZHFGDG-LRDDRELGSA-N 1 0 377.286 2.977 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)c1ccc(-n2cc(Br)cn2)cc1 ZINC000121835017 551243988 /nfs/dbraw/zinc/24/39/88/551243988.db2.gz GUVJIFCBZHFGDG-MLGOLLRUSA-N 1 0 377.286 2.977 20 0 GFADRO COCC[NH+]1CCC(NC(=O)Nc2cc(F)c(Br)cc2F)CC1 ZINC000121916413 551292669 /nfs/dbraw/zinc/29/26/69/551292669.db2.gz JRGWNKKTVQKBBH-UHFFFAOYSA-N 1 0 392.244 2.960 20 0 GFADRO Cc1sc(Br)cc1S(=O)(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000122459840 551298147 /nfs/dbraw/zinc/29/81/47/551298147.db2.gz GZBMXPJATVMFRF-MNOVXSKESA-N 1 0 379.345 2.676 20 0 GFADRO Cc1ccc(Br)c(NC(=O)C(=O)NC2CC[NH+](CC(C)C)CC2)c1 ZINC000122567055 551299943 /nfs/dbraw/zinc/29/99/43/551299943.db2.gz IPEXHUAZMYGYLG-UHFFFAOYSA-N 1 0 396.329 2.933 20 0 GFADRO COC[C@](C)(CC(=O)OC)[NH2+]CC(=O)N[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000123353785 551305417 /nfs/dbraw/zinc/30/54/17/551305417.db2.gz MEXPXNDOLHJSAR-DIFFPNOSSA-N 1 0 391.295 2.728 20 0 GFADRO CCC[N@@H+]1CCC[C@H]1C(=O)N(C)CC(=O)Nc1ccccc1Br ZINC000123870049 551309166 /nfs/dbraw/zinc/30/91/66/551309166.db2.gz LJZOPFOUCFHXRN-HNNXBMFYSA-N 1 0 382.302 2.720 20 0 GFADRO C[NH+](C)C(C)(C)CNC(=O)[C@H]1CCCN1C(=O)c1ccc(Br)cc1 ZINC000123886493 551309586 /nfs/dbraw/zinc/30/95/86/551309586.db2.gz OPADHDRKPOIODI-OAHLLOKOSA-N 1 0 396.329 2.510 20 0 GFADRO CCO[C@@H](CC[NH+](C)C)CNC(=O)CCc1cc(Br)ccc1F ZINC000124148067 551310660 /nfs/dbraw/zinc/31/06/60/551310660.db2.gz MYZIVCRPMGMQLD-HNNXBMFYSA-N 1 0 389.309 2.994 20 0 GFADRO C[C@@H]1C[N@@H+](C2CCN(C[C@H](O)c3cccc(Br)c3)CC2)CCO1 ZINC000124115872 551310836 /nfs/dbraw/zinc/31/08/36/551310836.db2.gz ASGUUBCJYMQQEP-KDOFPFPSSA-N 1 0 383.330 2.668 20 0 GFADRO C[NH+](C)CCOc1cc(CNC(=O)c2ccccc2Br)ccn1 ZINC000124207502 551311914 /nfs/dbraw/zinc/31/19/14/551311914.db2.gz FGLVBYOBLHENBI-UHFFFAOYSA-N 1 0 378.270 2.715 20 0 GFADRO [NH3+]C[C@@H](NS(=O)(=O)Cc1ccc(Br)cc1)C1CCCCC1 ZINC000124239821 551312478 /nfs/dbraw/zinc/31/24/78/551312478.db2.gz RVVHLPKYUACZGZ-OAHLLOKOSA-N 1 0 375.332 2.776 20 0 GFADRO CN(CC[NH+]1CCCC1)C(=O)C(=O)Nc1ccc(Cl)c(Br)c1 ZINC000124389159 551313648 /nfs/dbraw/zinc/31/36/48/551313648.db2.gz RFCGOAOGXOODGJ-UHFFFAOYSA-N 1 0 388.693 2.595 20 0 GFADRO COc1ccc(Br)c(C[N@@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)c1 ZINC000124457413 551314547 /nfs/dbraw/zinc/31/45/47/551314547.db2.gz QVGLCZVQYQSQBE-AWEZNQCLSA-N 1 0 397.313 2.529 20 0 GFADRO C[C@@H]1C[NH2+]CCN1C(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000124653315 551316215 /nfs/dbraw/zinc/31/62/15/551316215.db2.gz UHRXRRFZTQWPOS-OCCSQVGLSA-N 1 0 384.307 2.666 20 0 GFADRO [NH3+]C[C@H](NS(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C1CC1 ZINC000124655171 551316335 /nfs/dbraw/zinc/31/63/35/551316335.db2.gz FJKNALBYSCWRCT-NSHDSACASA-N 1 0 376.322 2.740 20 0 GFADRO COc1ccc(C(=O)N(C)CC[N@H+](C)C2CCN(C)CC2)c(Br)c1 ZINC000124866468 551318536 /nfs/dbraw/zinc/31/85/36/551318536.db2.gz JFLLCMDMXVPJAI-UHFFFAOYSA-N 1 0 398.345 2.556 20 0 GFADRO CC[C@@H]1CC[N@H+](CCC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2Cl)C1 ZINC000125092224 551319629 /nfs/dbraw/zinc/31/96/29/551319629.db2.gz DQGAWYFMOIJYHZ-CYBMUJFWSA-N 1 0 387.933 2.651 20 0 GFADRO Cc1cc(C(=O)N2CCCC[C@H]([NH+]3CCN(C)CC3)C2)ccc1Br ZINC000125162756 551319999 /nfs/dbraw/zinc/31/99/99/551319999.db2.gz SLKRQXNOHFNFJT-KRWDZBQOSA-N 1 0 394.357 3.000 20 0 GFADRO C[C@H]([NH2+]C[C@@]1(CCO)CCOC1)c1ccc(I)cc1 ZINC000125763955 551324183 /nfs/dbraw/zinc/32/41/83/551324183.db2.gz YPECUISACJSQIG-SWLSCSKDSA-N 1 0 375.250 2.731 20 0 GFADRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)Nc1cc(Br)ccc1F ZINC000126447498 551330347 /nfs/dbraw/zinc/33/03/47/551330347.db2.gz PRNSIUONOQVZAF-GFCCVEGCSA-N 1 0 386.265 2.517 20 0 GFADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)NC[C@@H]1CSCCS1 ZINC000126893960 551334349 /nfs/dbraw/zinc/33/43/49/551334349.db2.gz AVBMAYCGUWIFJX-MRXNPFEDSA-N 1 0 380.583 2.717 20 0 GFADRO COc1cc(NC(=O)N2CC[C@@H](C[NH+](C)C)C2)cc(OC)c1Br ZINC000127320444 551340067 /nfs/dbraw/zinc/34/00/67/551340067.db2.gz LZWOCAXZPIYFGN-NSHDSACASA-N 1 0 386.290 2.882 20 0 GFADRO C[C@H]([NH2+]CCc1ccc(S(=O)(=O)N2CCCCC2)s1)C1CCOCC1 ZINC000127327101 551340544 /nfs/dbraw/zinc/34/05/44/551340544.db2.gz SVNKMTZKUOMQMD-HNNXBMFYSA-N 1 0 386.583 2.870 20 0 GFADRO C[C@H]1CC[N@H+](CC(=O)NCC(=O)Nc2ccccc2Br)C[C@H](C)C1 ZINC000127690728 551343445 /nfs/dbraw/zinc/34/34/45/551343445.db2.gz VKTSEDREEWWGFC-UONOGXRCSA-N 1 0 396.329 2.872 20 0 GFADRO C[C@@H]([NH2+]C[C@H]1CCCN1S(C)(=O)=O)c1ccc(Br)cc1F ZINC000128194041 551347381 /nfs/dbraw/zinc/34/73/81/551347381.db2.gz MLUSAEUXHQYLOC-ZYHUDNBSSA-N 1 0 379.295 2.663 20 0 GFADRO O=C(c1cn(-c2ccc(Br)cc2)cn1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000128558416 551350397 /nfs/dbraw/zinc/35/03/97/551350397.db2.gz FHICHZCCBANKTG-MRXNPFEDSA-N 1 0 389.297 2.945 20 0 GFADRO Cc1nc(NC(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)ccc1Br ZINC000128578480 551350835 /nfs/dbraw/zinc/35/08/35/551350835.db2.gz NLCVDBWRURSAKR-ZDUSSCGKSA-N 1 0 385.306 2.727 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)C(=O)NCCC1CC[NH+](C)CC1 ZINC000128988798 551354725 /nfs/dbraw/zinc/35/47/25/551354725.db2.gz RMJLBDJUXZXKJJ-UHFFFAOYSA-N 1 0 382.302 2.544 20 0 GFADRO O=C(NCCCC[NH+]1CCOCC1)c1cc(F)c(F)cc1Br ZINC000129594866 551358164 /nfs/dbraw/zinc/35/81/64/551358164.db2.gz KHJOUAUQPQRTEU-UHFFFAOYSA-N 1 0 377.229 2.570 20 0 GFADRO O=C(NC[C@H]1CCC[NH2+]C1)[C@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1 ZINC000130116340 551362265 /nfs/dbraw/zinc/36/22/65/551362265.db2.gz CYDXDEUOXUTUCS-BLLLJJGKSA-N 1 0 384.307 2.714 20 0 GFADRO NC(=O)[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000130668991 551367805 /nfs/dbraw/zinc/36/78/05/551367805.db2.gz FNIKONNGPHELPL-MFKMUULPSA-N 1 0 377.794 2.931 20 0 GFADRO C[N@H+](CCc1ccc(Br)cc1)C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000131542393 551374927 /nfs/dbraw/zinc/37/49/27/551374927.db2.gz KVDDSIRHTWWPAX-OAHLLOKOSA-N 1 0 389.359 2.595 20 0 GFADRO C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)C1 ZINC000132814556 551379444 /nfs/dbraw/zinc/37/94/44/551379444.db2.gz NHYPCGIPOSODRO-HZPDHXFCSA-N 1 0 384.307 2.808 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)c2cc(S(C)(=O)=O)cs2)C1 ZINC000132956324 551381015 /nfs/dbraw/zinc/38/10/15/551381015.db2.gz HBSCNYZQQCDVQY-CABCVRRESA-N 1 0 384.567 2.878 20 0 GFADRO CC[C@]1(C(=O)NCCC(=O)Nc2ccc(Br)cc2C)CCC[NH2+]1 ZINC000134459198 551385924 /nfs/dbraw/zinc/38/59/24/551385924.db2.gz PNSMLUXKGGEKEG-QGZVFWFLSA-N 1 0 382.302 2.735 20 0 GFADRO COCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](Cc2ccc(F)cc2Br)C1 ZINC000144198615 551395816 /nfs/dbraw/zinc/39/58/16/551395816.db2.gz JZXKQILBNABGPT-TZMCWYRMSA-N 1 0 387.293 2.951 20 0 GFADRO CC[C@H](c1ccc(Br)cc1)N1CC[NH+](CC2(CO)COC2)CC1 ZINC000151024360 551405597 /nfs/dbraw/zinc/40/55/97/551405597.db2.gz OZIGBVSCPDDRJH-QGZVFWFLSA-N 1 0 383.330 2.527 20 0 GFADRO C[C@@H](NC(=O)N1CC[NH+](CC(C)(C)O)CC1)c1cccc(Br)c1 ZINC000151245765 551409824 /nfs/dbraw/zinc/40/98/24/551409824.db2.gz ACZDIKKDZNUVBN-CYBMUJFWSA-N 1 0 384.318 2.608 20 0 GFADRO O=S(=O)(C1CC1)N1CCC([NH2+]Cc2cc(Br)ccc2F)CC1 ZINC000151263822 551409984 /nfs/dbraw/zinc/40/99/84/551409984.db2.gz OCISLMOIOQNBEJ-UHFFFAOYSA-N 1 0 391.306 2.634 20 0 GFADRO Cc1ccc(NC(=O)NC[C@@H](C(C)C)[NH+]2CCN(C)CC2)c(Br)n1 ZINC000151412378 551413379 /nfs/dbraw/zinc/41/33/79/551413379.db2.gz SSXIWQNJGXUJSF-HNNXBMFYSA-N 1 0 398.349 2.546 20 0 GFADRO C[NH+](C)CC1CCC(NS(=O)(=O)c2ccccc2Br)CC1 ZINC000151780300 551420847 /nfs/dbraw/zinc/42/08/47/551420847.db2.gz NECIRAULHAELRX-UHFFFAOYSA-N 1 0 375.332 2.848 20 0 GFADRO CNC(=O)CN1CCC([NH2+][C@@H](C)[C@@H](C)Oc2ccc(Cl)cc2Cl)CC1 ZINC000151991029 551424462 /nfs/dbraw/zinc/42/44/62/551424462.db2.gz XRWVZWHAIOULHX-QWHCGFSZSA-N 1 0 388.339 2.949 20 0 GFADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000152081993 551425826 /nfs/dbraw/zinc/42/58/26/551425826.db2.gz KHQNGPXTVODYQW-OAHLLOKOSA-N 1 0 385.295 2.764 20 0 GFADRO CCC[C@H](O)CNC(=O)NC1CCN(Cc2ccc(Br)cc2)CC1 ZINC000152558706 551435445 /nfs/dbraw/zinc/43/54/45/551435445.db2.gz MDPFTOQXIFNMNC-KRWDZBQOSA-N 1 0 398.345 2.874 20 0 GFADRO CCNC(=O)NC(=O)[C@H](C)[N@H+](C)CC1(c2ccc(Br)cc2)CC1 ZINC000152615532 551436513 /nfs/dbraw/zinc/43/65/13/551436513.db2.gz XMMWEWGYRCXYSF-LBPRGKRZSA-N 1 0 382.302 2.647 20 0 GFADRO C[C@@H]1C[NH+](CCCNC(=O)c2c(F)cc(Br)cc2F)C[C@@H](C)O1 ZINC000152626695 551437122 /nfs/dbraw/zinc/43/71/22/551437122.db2.gz SZAUERXGNGIXPE-GHMZBOCLSA-N 1 0 391.256 2.956 20 0 GFADRO C[N@@H+]1CC[C@H]2[C@H](CCCN2S(=O)(=O)c2cc(C(F)(F)F)ccc2F)C1 ZINC000152871941 551441569 /nfs/dbraw/zinc/44/15/69/551441569.db2.gz XMAQQINZGPDLHT-RISCZKNCSA-N 1 0 380.407 2.949 20 0 GFADRO C[C@H](C(=O)N1CCC(c2nc(C(F)(F)F)c[nH]2)CC1)N1CCSCC1 ZINC000152972867 551443715 /nfs/dbraw/zinc/44/37/15/551443715.db2.gz UKCXRCFKXXLABR-LLVKDONJSA-N 1 0 376.448 2.572 20 0 GFADRO Cc1sc(C(=O)Nc2ccc(CC[NH+](C)C)cc2)cc1CS(C)(=O)=O ZINC000153082466 551446251 /nfs/dbraw/zinc/44/62/51/551446251.db2.gz KFDCFENNPAIJHR-UHFFFAOYSA-N 1 0 380.535 2.958 20 0 GFADRO CN(CC[NH+]1CCCC1)S(=O)(=O)c1ccc(Br)c(Cl)c1 ZINC000153220557 551448348 /nfs/dbraw/zinc/44/83/48/551448348.db2.gz VZBOHCHQWZFOSQ-UHFFFAOYSA-N 1 0 381.723 2.819 20 0 GFADRO CC[NH+](CC)[C@@H]1CCN(C(=O)Cc2ccccc2I)C1 ZINC000153329539 551450760 /nfs/dbraw/zinc/45/07/60/551450760.db2.gz INIDYLHXNAMYEK-CQSZACIVSA-N 1 0 386.277 2.776 20 0 GFADRO CC[C@H](C)[N@H+](C)CCNC(=O)c1ccc(OC)cc1I ZINC000153412878 551452350 /nfs/dbraw/zinc/45/23/50/551452350.db2.gz YFOWWTLGYNRBHG-NSHDSACASA-N 1 0 390.265 2.760 20 0 GFADRO CC[NH+](CC)[C@@H](CNC(=O)C(=O)Nc1cncc(Br)c1)CC(C)C ZINC000153562052 551455432 /nfs/dbraw/zinc/45/54/32/551455432.db2.gz QORIVAQNSBAXCT-OAHLLOKOSA-N 1 0 399.333 2.655 20 0 GFADRO C[C@@H]1C[C@H]([NH3+])CCN1C(=O)c1ccc(I)c(Cl)c1 ZINC000154116861 551467786 /nfs/dbraw/zinc/46/77/86/551467786.db2.gz GICJISNBGLVRLM-PSASIEDQSA-N 1 0 378.641 2.896 20 0 GFADRO O[C@@H](C[NH2+]C1(c2ccc(Br)cc2)CCC1)COC1CCOCC1 ZINC000154569158 551478043 /nfs/dbraw/zinc/47/80/43/551478043.db2.gz XBEBXAPBFYHNNI-INIZCTEOSA-N 1 0 384.314 2.974 20 0 GFADRO CCCC[C@H]([NH3+])C(=O)N[C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000154593112 551479135 /nfs/dbraw/zinc/47/91/35/551479135.db2.gz ZPGHBICGBLRACU-AAEUAGOBSA-N 1 0 378.826 2.966 20 0 GFADRO C[C@H]1CCC[N@@H+]1C1CCN(C(=O)c2ccc(Cl)c(S(C)(=O)=O)c2)CC1 ZINC000154817346 551483800 /nfs/dbraw/zinc/48/38/00/551483800.db2.gz NYCWHGMAQFLWSL-ZDUSSCGKSA-N 1 0 384.929 2.832 20 0 GFADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)NC1(c2cccc(Br)c2)CC1 ZINC000154928796 551485823 /nfs/dbraw/zinc/48/58/23/551485823.db2.gz ZRFJUACZZLUELQ-INIZCTEOSA-N 1 0 396.329 2.848 20 0 GFADRO Cc1nn(-c2ccc(C(=O)N3CC[NH2+][C@@H](C)C3)cc2)c(C)c1Br ZINC000155210473 551494403 /nfs/dbraw/zinc/49/44/03/551494403.db2.gz DWZIYYXIJYYEKV-NSHDSACASA-N 1 0 377.286 2.686 20 0 GFADRO CN(CCCN1CC[NH+](C)CC1)C(=O)c1c[nH]c2cccc(Br)c12 ZINC000155782020 551507397 /nfs/dbraw/zinc/50/73/97/551507397.db2.gz NUYLZHRRXVWTII-UHFFFAOYSA-N 1 0 393.329 2.640 20 0 GFADRO Cc1cccc(S(=O)(=O)NCCC2CC[NH+](C)CC2)c1Br ZINC000155789014 551507516 /nfs/dbraw/zinc/50/75/16/551507516.db2.gz JSDKFGQEVRYALY-UHFFFAOYSA-N 1 0 375.332 2.768 20 0 GFADRO O=S1(=O)CCN(C2CC[NH+](CCCSCc3ccccc3)CC2)CC1 ZINC000155999526 551512637 /nfs/dbraw/zinc/51/26/37/551512637.db2.gz AHOXLXXJCUWAAQ-UHFFFAOYSA-N 1 0 382.595 2.505 20 0 GFADRO C[C@@H](CCNC(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1)[S@](C)=O ZINC000156126261 551515329 /nfs/dbraw/zinc/51/53/29/551515329.db2.gz LJSITQDWCDRPRA-JAUXOLPYSA-N 1 0 385.599 2.977 20 0 GFADRO COC(=O)Cn1cc(CC[N@@H+]2CCC[C@@H]2c2cccc(Br)c2)nn1 ZINC000156246817 551518273 /nfs/dbraw/zinc/51/82/73/551518273.db2.gz BHMBFMSKPARLGS-MRXNPFEDSA-N 1 0 393.285 2.593 20 0 GFADRO CC(=O)N1CC[C@H](C[N@H+](C)C[C@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000156448166 551522766 /nfs/dbraw/zinc/52/27/66/551522766.db2.gz NOCATQDBEMEWMH-HIFRSBDPSA-N 1 0 375.296 2.533 20 0 GFADRO CSCC[C@H]([NH3+])C(=O)NCc1cc(Br)ccc1OC(F)F ZINC000157451508 551538259 /nfs/dbraw/zinc/53/82/59/551538259.db2.gz OZRCHXZXYWYRIN-JTQLQIEISA-N 1 0 383.258 2.747 20 0 GFADRO [NH3+]C1(C(=O)NCc2nnc(-c3ccc(Br)cc3)[nH]2)CCCCC1 ZINC000157874335 551544021 /nfs/dbraw/zinc/54/40/21/551544021.db2.gz DZAOFGZAXYGBRE-UHFFFAOYSA-N 1 0 378.274 2.512 20 0 GFADRO C[NH+](C)CC1CCC(NC(=O)C(=O)Nc2ccccc2Br)CC1 ZINC000158114921 551547151 /nfs/dbraw/zinc/54/71/51/551547151.db2.gz CUYXSPFHGHULNX-UHFFFAOYSA-N 1 0 382.302 2.624 20 0 GFADRO CN(CC[NH2+]Cc1cc(Br)cs1)S(=O)(=O)c1cccs1 ZINC000158280065 551549598 /nfs/dbraw/zinc/54/95/98/551549598.db2.gz MKHURQQAONSPHS-UHFFFAOYSA-N 1 0 395.369 2.982 20 0 GFADRO CN(CC[NH2+]Cc1ccc(F)c2cccnc12)S(=O)(=O)c1cccs1 ZINC000158353510 551550631 /nfs/dbraw/zinc/55/06/31/551550631.db2.gz SQNCOUMEKPPGIP-UHFFFAOYSA-N 1 0 379.482 2.846 20 0 GFADRO CN(CC[NH2+]Cc1ccc(OCC(F)F)cc1)S(=O)(=O)c1cccs1 ZINC000158349152 551550718 /nfs/dbraw/zinc/55/07/18/551550718.db2.gz CSEGLNGZETXQJR-UHFFFAOYSA-N 1 0 390.477 2.802 20 0 GFADRO O=C(N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO)c1ccc(Br)o1 ZINC000158661479 551555120 /nfs/dbraw/zinc/55/51/20/551555120.db2.gz CXUYVJYUXOSPAY-HUUCEWRRSA-N 1 0 393.281 2.655 20 0 GFADRO C[C@H](Cc1ccc(Br)cc1)C(=O)NCCCC[N@@H+]1CCC[C@@H]1CO ZINC000158702753 551555557 /nfs/dbraw/zinc/55/55/57/551555557.db2.gz WWENZWPGOSOIIF-CRAIPNDOSA-N 1 0 397.357 2.981 20 0 GFADRO CC(C)[C@@H](CCO)[NH2+][C@H](C)C(=O)Nc1ccc(I)cc1 ZINC000161744244 551598469 /nfs/dbraw/zinc/59/84/69/551598469.db2.gz RIHDKXNXNULPDN-BXUZGUMPSA-N 1 0 390.265 2.615 20 0 GFADRO [NH3+][C@H]1CCC[C@H](NC(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CCCC2)C1 ZINC000161988952 551602067 /nfs/dbraw/zinc/60/20/67/551602067.db2.gz ZTPKOFJBCFIBAC-GJZGRUSLSA-N 1 0 384.929 2.813 20 0 GFADRO CC(C)[C@H]([NH3+])CCN(C)C(=O)[C@H]1CCN(c2ccccc2Br)C1=O ZINC000162084673 551603129 /nfs/dbraw/zinc/60/31/29/551603129.db2.gz RLIXUEUYQCVGHE-UKRRQHHQSA-N 1 0 396.329 2.634 20 0 GFADRO CC(C)[N@H+](C)CC(=O)NC1CCN(Cc2ccc(Br)cc2)CC1 ZINC000162670531 551611494 /nfs/dbraw/zinc/61/14/94/551611494.db2.gz XTJJUMNZMXKLFI-UHFFFAOYSA-N 1 0 382.346 2.870 20 0 GFADRO CC(C)CN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(F)cc1Br ZINC000162756653 551612522 /nfs/dbraw/zinc/61/25/22/551612522.db2.gz UHFAZAWMMOGKPA-UHFFFAOYSA-N 1 0 388.281 2.573 20 0 GFADRO Cc1ccc(NC(=O)C(=O)N(CC[NH+](C)C)CC(C)C)cc1Br ZINC000162811305 551612996 /nfs/dbraw/zinc/61/29/96/551612996.db2.gz BMHWSZSUHYYCMA-UHFFFAOYSA-N 1 0 384.318 2.742 20 0 GFADRO C[C@H](NC(=O)CC1([NH3+])CCC1)c1nc(-c2ccc(Br)cc2)no1 ZINC000163134875 551616893 /nfs/dbraw/zinc/61/68/93/551616893.db2.gz XTLPYSCBMFEABL-JTQLQIEISA-N 1 0 379.258 2.948 20 0 GFADRO CC[N@@H+]1CCCN(C(=O)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)CC1 ZINC000163211332 551618007 /nfs/dbraw/zinc/61/80/07/551618007.db2.gz YFIIRKYMBJAKDX-UHFFFAOYSA-N 1 0 377.794 2.852 20 0 GFADRO C[NH+](C)CCN(Cc1cccs1)C(=O)N[C@@H]1CCO[C@]2(CCSC2)C1 ZINC000163304406 551618156 /nfs/dbraw/zinc/61/81/56/551618156.db2.gz ZTGLFMZTVCOZSK-CRAIPNDOSA-N 1 0 383.583 2.876 20 0 GFADRO C[C@H](CO[C@@H]1CCOC1)[NH2+][C@H](C)CC(=O)Nc1cccc(Br)c1 ZINC000166385323 551631767 /nfs/dbraw/zinc/63/17/67/551631767.db2.gz BQSXIMNBDHFZFR-XJKCOSOUSA-N 1 0 385.302 2.950 20 0 GFADRO CC[C@H](c1ccc(Br)cc1)N1CCN(C(=O)[C@H]2CC[NH2+]C2)CC1 ZINC000167617152 551633623 /nfs/dbraw/zinc/63/36/23/551633623.db2.gz VULWCCGIBVXDEO-DOTOQJQBSA-N 1 0 380.330 2.654 20 0 GFADRO CN(Cc1cc(Br)cs1)C(=O)CN1CC[C@H]([NH+]2CCCC2)C1 ZINC000170740630 551638732 /nfs/dbraw/zinc/63/87/32/551638732.db2.gz VASGPKXWCJIEAH-AWEZNQCLSA-N 1 0 386.359 2.639 20 0 GFADRO CCn1cc(Br)cc1C(=O)N(CC[NH+](C)C)Cc1ccccn1 ZINC000170949842 551643423 /nfs/dbraw/zinc/64/34/23/551643423.db2.gz QSOMVJODUMRELC-UHFFFAOYSA-N 1 0 379.302 2.870 20 0 GFADRO CC(C)(O)C[NH+]1CCN(CC(=O)Nc2c(Cl)cc(Cl)cc2Cl)CC1 ZINC000171154417 551648380 /nfs/dbraw/zinc/64/83/80/551648380.db2.gz KWMGKQHMSFPVBW-UHFFFAOYSA-N 1 0 394.730 2.974 20 0 GFADRO C[C@H]1C[NH+](CCCNC(=O)c2[nH]nc3ccc(Br)cc32)C[C@H](C)O1 ZINC000171771780 551663224 /nfs/dbraw/zinc/66/32/24/551663224.db2.gz TXAAXSPIIWNLHF-RYUDHWBXSA-N 1 0 395.301 2.555 20 0 GFADRO O=C(NCC1CC[NH+](CCO)CC1)N[C@@H]1CCSc2ccc(Cl)cc21 ZINC000171899429 551666262 /nfs/dbraw/zinc/66/62/62/551666262.db2.gz USECIQGOCLMAAM-MRXNPFEDSA-N 1 0 383.945 2.880 20 0 GFADRO Cc1ncsc1CC[NH+]1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1 ZINC000172073965 551669970 /nfs/dbraw/zinc/66/99/70/551669970.db2.gz IARBHMOOKOYHLG-UHFFFAOYSA-N 1 0 383.514 2.576 20 0 GFADRO C[C@@H](Cc1cccc(Br)c1)NC(=O)NCC1([NH+](C)C)CCOCC1 ZINC000172224557 551673688 /nfs/dbraw/zinc/67/36/88/551673688.db2.gz CHSKJSFZCVUCLS-AWEZNQCLSA-N 1 0 398.345 2.790 20 0 GFADRO CN1CCC(CNC(=O)c2cncc(Br)c2)([NH+]2CCCCC2)CC1 ZINC000172752679 551686674 /nfs/dbraw/zinc/68/66/74/551686674.db2.gz YRHQYMGUPNIULI-UHFFFAOYSA-N 1 0 395.345 2.524 20 0 GFADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](C)c1ccc(Br)s1 ZINC000173074068 551694066 /nfs/dbraw/zinc/69/40/66/551694066.db2.gz RMMSHENCUAGFJC-VXGBXAGGSA-N 1 0 375.332 2.841 20 0 GFADRO CC(C)[C@@H](CNC(=O)c1c[nH]c(=O)c(Br)c1)[NH+]1CCC(C)CC1 ZINC000173085386 551694916 /nfs/dbraw/zinc/69/49/16/551694916.db2.gz QLMCXIKRZGKIRD-OAHLLOKOSA-N 1 0 384.318 2.624 20 0 GFADRO CCCC[C@@H](C[NH3+])NC(=O)C(=O)Nc1cc(Cl)ccc1Br ZINC000415497797 563779724 /nfs/dbraw/zinc/77/97/24/563779724.db2.gz MDXZGTHDQUJQRC-JTQLQIEISA-N 1 0 376.682 2.675 20 0 GFADRO O=C(NCCCC[N@H+]1CCC[C@H]1CO)Nc1cc(Br)ccc1F ZINC000173145834 552078645 /nfs/dbraw/zinc/07/86/45/552078645.db2.gz SALDWTMYMISPOK-ZDUSSCGKSA-N 1 0 388.281 2.947 20 0 GFADRO CC[NH+]1CCN(CCCNC(=O)[C@H](C)c2ccc(Br)s2)CC1 ZINC000173474992 552086160 /nfs/dbraw/zinc/08/61/60/552086160.db2.gz LZIQMQGPORXOSO-CYBMUJFWSA-N 1 0 388.375 2.758 20 0 GFADRO Cc1cc(N2CC[C@@H]([NH2+][C@@H](C)c3ccc(Br)cc3)C2=O)n(C)n1 ZINC000173804951 552092105 /nfs/dbraw/zinc/09/21/05/552092105.db2.gz KLGYPEDNHWAVLZ-SWLSCSKDSA-N 1 0 377.286 2.947 20 0 GFADRO O=S(=O)(c1ccc(F)c(Cl)c1)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000173852883 552094108 /nfs/dbraw/zinc/09/41/08/552094108.db2.gz GQQFEKJGMMKAHT-UHFFFAOYSA-N 1 0 390.908 2.745 20 0 GFADRO O=C(NCCCC[N@H+]1CCC[C@@H]1CO)Nc1ccc(Br)c(F)c1 ZINC000173974917 552096491 /nfs/dbraw/zinc/09/64/91/552096491.db2.gz QANHNDMCCDBJLE-CYBMUJFWSA-N 1 0 388.281 2.947 20 0 GFADRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)NCc1cc(Br)cs1 ZINC000174034566 552097356 /nfs/dbraw/zinc/09/73/56/552097356.db2.gz BZIYJIOOKYEAJD-CYBMUJFWSA-N 1 0 390.347 2.763 20 0 GFADRO CC[C@H](CO)[NH+]1CCN(Cc2ncc(-c3ccc(Br)cc3)o2)CC1 ZINC000174129171 552099483 /nfs/dbraw/zinc/09/94/83/552099483.db2.gz UBYQSYNDVYMHAS-MRXNPFEDSA-N 1 0 394.313 2.993 20 0 GFADRO C[C@@H](CCNC(=O)c1c[nH]c(=O)c(Br)c1)[N@H+](C)Cc1ccccc1 ZINC000174410285 552103620 /nfs/dbraw/zinc/10/36/20/552103620.db2.gz KWWGAXAMTTZOFJ-ZDUSSCGKSA-N 1 0 392.297 2.778 20 0 GFADRO CC(C)C[C@@H](CNC(=O)C(=O)Nc1ccc(F)c(Br)c1)[NH+](C)C ZINC000174615194 552106667 /nfs/dbraw/zinc/10/66/67/552106667.db2.gz MPUSYOKPXYGHOT-LBPRGKRZSA-N 1 0 388.281 2.619 20 0 GFADRO CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)Nc1ccc(F)c(Br)c1 ZINC000174909074 552112505 /nfs/dbraw/zinc/11/25/05/552112505.db2.gz IOEDGXWQSWKJFQ-LBPRGKRZSA-N 1 0 386.265 2.517 20 0 GFADRO C[N@H+](CCNC(=O)C(=O)Nc1ccc(Br)c(F)c1)C1CCCC1 ZINC000174911239 552112569 /nfs/dbraw/zinc/11/25/69/552112569.db2.gz WBFPERSAVSOUJY-UHFFFAOYSA-N 1 0 386.265 2.517 20 0 GFADRO COc1ccc(S(=O)(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)cc1Br ZINC000175075293 552115284 /nfs/dbraw/zinc/11/52/84/552115284.db2.gz AZWKDHQGBNKEPT-RYUDHWBXSA-N 1 0 391.331 2.609 20 0 GFADRO CC(C)OCCS(=O)(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000175107933 552115912 /nfs/dbraw/zinc/11/59/12/552115912.db2.gz WFRVEUDPGRJGLM-UHFFFAOYSA-N 1 0 388.961 2.896 20 0 GFADRO CCC[N@H+](CC)CCNC(=O)NCC(=O)Nc1cc(Br)ccc1C ZINC000175417040 552121351 /nfs/dbraw/zinc/12/13/51/552121351.db2.gz UBNSKGXBPSCTPP-UHFFFAOYSA-N 1 0 399.333 2.727 20 0 GFADRO C[C@H](C(=O)Nc1ccccc1Br)N1CC[NH+](C2CCOCC2)CC1 ZINC000175472300 552122139 /nfs/dbraw/zinc/12/21/39/552122139.db2.gz YYUJLLHNNFBAAE-CQSZACIVSA-N 1 0 396.329 2.573 20 0 GFADRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)NCC(=O)Nc2ccc(Br)cc2)C1 ZINC000175906975 552132207 /nfs/dbraw/zinc/13/22/07/552132207.db2.gz JGMSRZJZOFTBHE-GJZGRUSLSA-N 1 0 397.317 2.560 20 0 GFADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CCc2ccc(Br)cc2)C1 ZINC000175942032 552132787 /nfs/dbraw/zinc/13/27/87/552132787.db2.gz LGMCWSFTLVZLLT-KRWDZBQOSA-N 1 0 383.330 2.855 20 0 GFADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)CCc1ccc(Br)c(C)c1 ZINC000175999911 552133647 /nfs/dbraw/zinc/13/36/47/552133647.db2.gz PFAXLDIGGAPNLZ-INIZCTEOSA-N 1 0 383.330 2.917 20 0 GFADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CNC(=O)c1ccc(Cl)c(Cl)c1 ZINC000176301110 552137594 /nfs/dbraw/zinc/13/75/94/552137594.db2.gz BTHQIWBTWFPBPX-KGLIPLIRSA-N 1 0 384.307 2.808 20 0 GFADRO CCN1CC[NH+](CCCCNC(=O)c2c(F)cccc2Br)CC1 ZINC000176662269 552143509 /nfs/dbraw/zinc/14/35/09/552143509.db2.gz ZYVHCZXTJDHWGK-UHFFFAOYSA-N 1 0 386.309 2.736 20 0 GFADRO Cc1ccc(C(=O)N2CCN(C[C@H]3CCCC[N@H+]3C)CC2)cc1Br ZINC000176788491 552145815 /nfs/dbraw/zinc/14/58/15/552145815.db2.gz PFWAVHLRJNLSGU-QGZVFWFLSA-N 1 0 394.357 3.000 20 0 GFADRO Cc1ccc(C(=O)NCC2CC[NH+](CCN(C)C)CC2)cc1Br ZINC000176829753 552146901 /nfs/dbraw/zinc/14/69/01/552146901.db2.gz ZQSWUPHEIKKCPI-UHFFFAOYSA-N 1 0 382.346 2.761 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)c2cnn(-c3ccc(Br)cc3)c2)C[N@@H+]1C1CC1 ZINC000177165009 552150410 /nfs/dbraw/zinc/15/04/10/552150410.db2.gz MZDLQJFIZOHDJB-DOMZBBRYSA-N 1 0 389.297 2.990 20 0 GFADRO COC(=O)CC[NH+]1CCC(Oc2ccccc2I)CC1 ZINC000177454897 552155096 /nfs/dbraw/zinc/15/50/96/552155096.db2.gz VYBWBOOGKDHATJ-UHFFFAOYSA-N 1 0 389.233 2.698 20 0 GFADRO CC[N@H+](C)C[C@H]1CCN(C(=O)Nc2ccc(NS(C)(=O)=O)c(Cl)c2)C1 ZINC000178039320 552163115 /nfs/dbraw/zinc/16/31/15/552163115.db2.gz LRQVBCNPBRGMQD-GFCCVEGCSA-N 1 0 388.921 2.517 20 0 GFADRO CCS(=O)(=O)N(C)CCC[NH2+][C@H](C)c1cc(Cl)c(OC)cc1OC ZINC000178074180 552163713 /nfs/dbraw/zinc/16/37/13/552163713.db2.gz VRUZJBCSMVWDGO-GFCCVEGCSA-N 1 0 378.922 2.679 20 0 GFADRO O=C(c1c(F)cccc1I)N1CCC[N@@H+](C2CC2)CC1 ZINC000178079445 552163892 /nfs/dbraw/zinc/16/38/92/552163892.db2.gz XSYJDBWLBVFUGK-UHFFFAOYSA-N 1 0 388.224 2.741 20 0 GFADRO CCS(=O)(=O)N(C)CCC[NH2+][C@H](C)c1sc(-c2cccnc2)nc1C ZINC000178073023 552163925 /nfs/dbraw/zinc/16/39/25/552163925.db2.gz WENYQGORSIEGFL-CYBMUJFWSA-N 1 0 382.555 2.836 20 0 GFADRO COc1ccccc1[C@H](C)[NH2+]CC1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000178107741 552164237 /nfs/dbraw/zinc/16/42/37/552164237.db2.gz LANITUIDBFCXSN-LBPRGKRZSA-N 1 0 380.432 2.907 20 0 GFADRO O=C(N[C@@H](c1ccccc1)c1ccc(Br)cc1F)[C@@H]1C[NH2+]CCO1 ZINC000178436811 552170273 /nfs/dbraw/zinc/17/02/73/552170273.db2.gz XFAWVEGLRCQGKL-IRXDYDNUSA-N 1 0 393.256 2.782 20 0 GFADRO CCOc1cc(Br)c(CC(=O)NC[C@@H]2CCC[NH2+]2)cc1OCC ZINC000178726021 552174250 /nfs/dbraw/zinc/17/42/50/552174250.db2.gz ATUNQQUWHMDHPY-ZDUSSCGKSA-N 1 0 385.302 2.657 20 0 GFADRO O=C(NC[C@H]1CCC[NH2+]1)c1nn(-c2cccc(Br)c2)c2c1CCC2 ZINC000178792111 552175684 /nfs/dbraw/zinc/17/56/84/552175684.db2.gz MCMHRLTZFPYSST-CYBMUJFWSA-N 1 0 389.297 2.605 20 0 GFADRO CC(=O)N[C@H](CC(=O)N1CCC([C@@H](C)[NH3+])CC1)c1ccc(Br)cc1 ZINC000178858919 552177497 /nfs/dbraw/zinc/17/74/97/552177497.db2.gz ITOIXTFYCGWMBP-SJKOYZFVSA-N 1 0 396.329 2.602 20 0 GFADRO C[C@H]([NH3+])C1CCN(C(=O)[C@@H]2CC(=O)N(c3cc(Cl)cc(Cl)c3)C2)CC1 ZINC000178870251 552178112 /nfs/dbraw/zinc/17/81/12/552178112.db2.gz QOMMHTSTXVIDTI-WCQYABFASA-N 1 0 384.307 2.932 20 0 GFADRO O=C(CCc1nc(-c2cc(Br)cs2)no1)NCC[C@H]1CC[NH2+]C1 ZINC000178939447 552179759 /nfs/dbraw/zinc/17/97/59/552179759.db2.gz DUBNYEPCTCLOCX-SNVBAGLBSA-N 1 0 399.314 2.609 20 0 GFADRO C[NH2+]C1CCN(C(=O)[C@H]2CCCN2C(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000179142822 552184749 /nfs/dbraw/zinc/18/47/49/552184749.db2.gz LEHGDSZFRMQUAI-MRXNPFEDSA-N 1 0 384.307 2.808 20 0 GFADRO COCC[C@@](C)(O)C[NH2+]Cc1cn(-c2ccc(Br)cc2)nc1C ZINC000179307335 552189647 /nfs/dbraw/zinc/18/96/47/552189647.db2.gz BYQSPPOFBVXGMP-QGZVFWFLSA-N 1 0 382.302 2.820 20 0 GFADRO COC[C@H](C)[N@H+](C)Cc1cc(I)c(OC)c(OC)c1 ZINC000179372348 552191092 /nfs/dbraw/zinc/19/10/92/552191092.db2.gz UTQAMAVCZBOYTG-JTQLQIEISA-N 1 0 379.238 2.775 20 0 GFADRO CNC(=O)CC[N@H+](C)Cc1cc(Br)ccc1OCc1ccccn1 ZINC000179407542 552192512 /nfs/dbraw/zinc/19/25/12/552192512.db2.gz IIRRDYNYMXEIGU-UHFFFAOYSA-N 1 0 392.297 2.991 20 0 GFADRO O=C(c1c[nH]c2cccc(Br)c21)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000179549316 552196169 /nfs/dbraw/zinc/19/61/69/552196169.db2.gz CMBFQPHZYXBWJB-CYBMUJFWSA-N 1 0 392.297 2.725 20 0 GFADRO COCC[N@H+](C)CCCNC(=O)c1ccn(-c2ccc(Cl)cc2Cl)n1 ZINC000179686729 552200552 /nfs/dbraw/zinc/20/05/52/552200552.db2.gz PFUAECULURWKJO-UHFFFAOYSA-N 1 0 385.295 2.877 20 0 GFADRO CC(C)C[C@@H]([NH2+]CCNS(=O)(=O)c1cnn(C)c1)c1ccc(Cl)cc1 ZINC000179720412 552201393 /nfs/dbraw/zinc/20/13/93/552201393.db2.gz LOUKGDHXVXAADH-QGZVFWFLSA-N 1 0 384.933 2.729 20 0 GFADRO C[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccc(Br)c3ccccc23)C1 ZINC000179739934 552201788 /nfs/dbraw/zinc/20/17/88/552201788.db2.gz LNHPUOXYFNDSHX-LBPRGKRZSA-N 1 0 390.281 2.609 20 0 GFADRO C[N@H+](C[C@H](O)COc1ccccc1F)[C@@H](CO)c1cccc(Br)c1 ZINC000179738127 552202187 /nfs/dbraw/zinc/20/21/87/552202187.db2.gz WNCYJLSKVKGALL-RDJZCZTQSA-N 1 0 398.272 2.993 20 0 GFADRO C[C@H](CNC(=O)c1ccc(C(F)(F)F)cc1Cl)C[NH+]1CCN(C)CC1 ZINC000180021551 552210114 /nfs/dbraw/zinc/21/01/14/552210114.db2.gz RDWHALPWHAALBG-GFCCVEGCSA-N 1 0 377.838 2.972 20 0 GFADRO COc1nc(N2CCC(CCC[NH+]3CCOCC3)CC2)ncc1Br ZINC000180173212 552216172 /nfs/dbraw/zinc/21/61/72/552216172.db2.gz BYGDXZJZSHORLH-UHFFFAOYSA-N 1 0 399.333 2.577 20 0 GFADRO C[C@H]([NH2+]CCCNC(=O)c1cccs1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000180832912 552237233 /nfs/dbraw/zinc/23/72/33/552237233.db2.gz LEKCZJCJZVIDSS-LBPRGKRZSA-N 1 0 384.498 2.761 20 0 GFADRO CNS(=O)(=O)c1cccc([C@H](C)[NH2+]CCc2nc3c(s2)CCCC3)c1 ZINC000180838823 552237344 /nfs/dbraw/zinc/23/73/44/552237344.db2.gz DPJDEXOCUWCUIZ-ZDUSSCGKSA-N 1 0 379.551 2.823 20 0 GFADRO C[C@H]([NH2+][C@@H]1CC(=O)N(CCN2CCOCC2)C1)c1cc(Cl)ccc1Cl ZINC000181038423 552243687 /nfs/dbraw/zinc/24/36/87/552243687.db2.gz SKALNTXNICUAJJ-DZGCQCFKSA-N 1 0 386.323 2.577 20 0 GFADRO CC(C)CS(=O)(=O)N1CCC([NH2+]Cc2c(Cl)nc3ccccn32)CC1 ZINC000181113907 552247137 /nfs/dbraw/zinc/24/71/37/552247137.db2.gz SVWYPBCHDCBLRZ-UHFFFAOYSA-N 1 0 384.933 2.528 20 0 GFADRO C[C@@H](NC(=O)C[NH2+][C@H](C)c1ccc(Br)cc1)C(=O)N1CCCCC1 ZINC000181129632 552247607 /nfs/dbraw/zinc/24/76/07/552247607.db2.gz GYWOVQKRMHCTIV-ZIAGYGMSSA-N 1 0 396.329 2.617 20 0 GFADRO CSC1(C[NH2+][C@@H](C)c2cccc(N3CCCS3(=O)=O)c2)CCOCC1 ZINC000181159891 552248550 /nfs/dbraw/zinc/24/85/50/552248550.db2.gz MBRKAQSWKXTJGV-HNNXBMFYSA-N 1 0 384.567 2.789 20 0 GFADRO C[C@@H]1C[C@H]([NH2+]CCOCCS(C)(=O)=O)c2cccc(Br)c21 ZINC000181145693 552248575 /nfs/dbraw/zinc/24/85/75/552248575.db2.gz VAACZWDXSQIXNH-RISCZKNCSA-N 1 0 376.316 2.648 20 0 GFADRO CCNC(=O)N1CC[C@H]([NH2+][C@@H](C)c2ccc(I)cc2)C1 ZINC000181334341 552253556 /nfs/dbraw/zinc/25/35/56/552253556.db2.gz PNOMILQTSOJMCC-FZMZJTMJSA-N 1 0 387.265 2.746 20 0 GFADRO Cc1nc(Br)ccc1NC(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000181343347 552253914 /nfs/dbraw/zinc/25/39/14/552253914.db2.gz HCLRKXVCUUAGBJ-UHFFFAOYSA-N 1 0 397.317 2.729 20 0 GFADRO Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[NH2+][C@H](C)c1cccc(Cl)c1 ZINC000181414439 552256034 /nfs/dbraw/zinc/25/60/34/552256034.db2.gz DFZICZOKVARQBE-GFCCVEGCSA-N 1 0 381.885 2.585 20 0 GFADRO COc1ccc([C@H](C)[NH2+]CCNS(=O)(=O)c2ccc(C)s2)c(OC)c1 ZINC000181510432 552258868 /nfs/dbraw/zinc/25/88/68/552258868.db2.gz OJUXGNVXOGAIBW-ZDUSSCGKSA-N 1 0 384.523 2.703 20 0 GFADRO C[C@@H]([NH2+]Cc1cn(C)nc1C(F)(F)F)c1ccc(NS(C)(=O)=O)cc1 ZINC000181585077 552261989 /nfs/dbraw/zinc/26/19/89/552261989.db2.gz WRFPIAKIVXLVFC-SNVBAGLBSA-N 1 0 376.404 2.661 20 0 GFADRO C[NH+](C)CCNC(=O)Nc1cccc(Oc2ncc(Br)cn2)c1 ZINC000181631717 552263082 /nfs/dbraw/zinc/26/30/82/552263082.db2.gz WDRFPKNGGLSQKS-UHFFFAOYSA-N 1 0 380.246 2.715 20 0 GFADRO CC[C@H]([NH2+]C[C@H](O)CS(=O)(=O)c1cccs1)c1cc(C)ccc1OC ZINC000181636684 552263715 /nfs/dbraw/zinc/26/37/15/552263715.db2.gz BGLQMKABMFGIJV-HOCLYGCPSA-N 1 0 383.535 2.941 20 0 GFADRO CCO[C@@H]1C[C@H]([NH2+]CC2CCN(S(=O)(=O)C(F)F)CC2)C12CCCC2 ZINC000181953644 552271714 /nfs/dbraw/zinc/27/17/14/552271714.db2.gz PUQUGCZFQXOLIP-LSDHHAIUSA-N 1 0 380.501 2.578 20 0 GFADRO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NCCNc1cccc(Br)c1 ZINC000182106630 552275930 /nfs/dbraw/zinc/27/59/30/552275930.db2.gz JCNVBRIUALAQFJ-KRWDZBQOSA-N 1 0 398.345 2.770 20 0 GFADRO CCCC[N@H+](CCCO)CC(=O)Nc1ccccc1I ZINC000182145565 552276394 /nfs/dbraw/zinc/27/63/94/552276394.db2.gz QGTXGGIZTCEDAE-UHFFFAOYSA-N 1 0 390.265 2.714 20 0 GFADRO CN(CCCN1CC[NH+](C)CC1)C(=O)NCCc1ccc(Cl)cc1Cl ZINC000182185070 552277930 /nfs/dbraw/zinc/27/79/30/552277930.db2.gz PUJQLEMUOJZDOR-UHFFFAOYSA-N 1 0 387.355 2.815 20 0 GFADRO O=C(CCc1cc(F)ccc1Br)NCCCC[NH+]1CCOCC1 ZINC000182214387 552278449 /nfs/dbraw/zinc/27/84/49/552278449.db2.gz ZIFLNQNZRRHCKV-UHFFFAOYSA-N 1 0 387.293 2.749 20 0 GFADRO CC[C@@H]([NH2+]CC(=O)Nc1ccccc1I)[C@@H]1CCCO1 ZINC000182316784 552280673 /nfs/dbraw/zinc/28/06/73/552280673.db2.gz INBLBPMOAJLBHH-OCCSQVGLSA-N 1 0 388.249 2.777 20 0 GFADRO CC[C@H]([NH2+]CC(=O)Nc1ccc(S(N)(=O)=O)cc1)c1cccc(Cl)c1 ZINC000182601429 552288080 /nfs/dbraw/zinc/28/80/80/552288080.db2.gz CKAKHLYLIJIKNQ-INIZCTEOSA-N 1 0 381.885 2.667 20 0 GFADRO C[C@H](CS(C)(=O)=O)[NH2+]CC1(c2ccc(Br)cc2)CCOCC1 ZINC000182752839 552292217 /nfs/dbraw/zinc/29/22/17/552292217.db2.gz NRJYPERBRAMLKL-CYBMUJFWSA-N 1 0 390.343 2.520 20 0 GFADRO CS(=O)(=O)[C@@H]1CCCC[C@H]1[NH2+]CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000183235205 552303961 /nfs/dbraw/zinc/30/39/61/552303961.db2.gz GFWDTFFHSNAOJB-HUUCEWRRSA-N 1 0 383.901 2.878 20 0 GFADRO COc1ccc(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)nc1Br ZINC000183298218 552305444 /nfs/dbraw/zinc/30/54/44/552305444.db2.gz NKZPCKJYPUOOTL-WFASDCNBSA-N 1 0 394.313 2.942 20 0 GFADRO CC1(CNC(=O)c2ccc(F)cc2I)CC[NH2+]CC1 ZINC000183346947 552306823 /nfs/dbraw/zinc/30/68/23/552306823.db2.gz JHXQUTAHPRWWLG-UHFFFAOYSA-N 1 0 376.213 2.550 20 0 GFADRO O=C(NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1ccc(Br)cc1 ZINC000183400128 552308534 /nfs/dbraw/zinc/30/85/34/552308534.db2.gz IBFXNEXFDRJGQZ-GOSISDBHSA-N 1 0 389.293 2.946 20 0 GFADRO COC[C@@H]([NH2+]C[C@H](O)COc1ccc(Cl)cc1Br)C1CC1 ZINC000183423677 552308766 /nfs/dbraw/zinc/30/87/66/552308766.db2.gz BIKHYYQUHAXLMQ-GXTWGEPZSA-N 1 0 378.694 2.857 20 0 GFADRO C[C@H](CNC(=O)c1ncc(Br)cc1Br)[N@H+](C)C1CC1 ZINC000183522364 552311826 /nfs/dbraw/zinc/31/18/26/552311826.db2.gz NPRTUFNCQUZTFV-MRVPVSSYSA-N 1 0 391.107 2.819 20 0 GFADRO O=C(NCCC[NH2+]Cc1cn(-c2ccc(Cl)c(Cl)c2)nn1)C1CCC1 ZINC000183859592 552320899 /nfs/dbraw/zinc/32/08/99/552320899.db2.gz UAVXWQUOSBMSRC-UHFFFAOYSA-N 1 0 382.295 2.970 20 0 GFADRO Nc1ccc(F)c(NC(=O)CC[NH2+][C@H](CO)c2cccc(Br)c2)c1 ZINC000183904442 552321947 /nfs/dbraw/zinc/32/19/47/552321947.db2.gz UPPUGHXGAACGQR-MRXNPFEDSA-N 1 0 396.260 2.822 20 0 GFADRO Cc1ccc(OC[C@@H](O)C[NH2+][C@@H](CO)c2cccc(Br)c2)cc1 ZINC000183892875 552321995 /nfs/dbraw/zinc/32/19/95/552321995.db2.gz OYOCIVHPOBNVTE-WMZOPIPTSA-N 1 0 380.282 2.820 20 0 GFADRO CC[N@H+](CCO)CCNC(=O)[C@@H](C)Sc1ccnc2cc(Cl)ccc21 ZINC000183993659 552325220 /nfs/dbraw/zinc/32/52/20/552325220.db2.gz YORIRACSZGSECK-CYBMUJFWSA-N 1 0 381.929 2.799 20 0 GFADRO O[C@@H](COc1cc(Cl)ccc1Cl)C[N@@H+]1CCOCC2(CCOCC2)C1 ZINC000184079572 552326771 /nfs/dbraw/zinc/32/67/71/552326771.db2.gz YSTKSSQMYCKRDX-OAHLLOKOSA-N 1 0 390.307 2.862 20 0 GFADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)/C=C/c1cc(Br)ccc1F ZINC000184355479 552333590 /nfs/dbraw/zinc/33/35/90/552333590.db2.gz LYABTMXPKOOPMF-ZRFDWSJLSA-N 1 0 398.320 2.744 20 0 GFADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)Cc1csc(-c2cccs2)n1 ZINC000184407631 552335218 /nfs/dbraw/zinc/33/52/18/552335218.db2.gz KDHYIJJRTROURT-CQSZACIVSA-N 1 0 378.567 2.556 20 0 GFADRO Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)[NH2+]CC(=O)N1CCNC1=O ZINC000184513167 552337592 /nfs/dbraw/zinc/33/75/92/552337592.db2.gz DMWXLKPLLWYESA-SNVBAGLBSA-N 1 0 378.885 2.974 20 0 GFADRO CN(CCC[NH+](C)C)C(=O)Nc1cc(F)c(I)c(F)c1 ZINC000184686361 552342517 /nfs/dbraw/zinc/34/25/17/552342517.db2.gz ORTWWSHZLDNMHS-UHFFFAOYSA-N 1 0 397.207 2.985 20 0 GFADRO C[C@H]1C[C@H](N(C)S(=O)(=O)c2ccc(Br)cc2F)CC[N@@H+]1C ZINC000184916142 552347752 /nfs/dbraw/zinc/34/77/52/552347752.db2.gz RKDPMXZDOFXQPE-CMPLNLGQSA-N 1 0 379.295 2.691 20 0 GFADRO CC[NH+]1CCN([C@@H]2CCN(Cc3nc4cc(Br)ccc4[nH]3)C2)CC1 ZINC000184969350 552349387 /nfs/dbraw/zinc/34/93/87/552349387.db2.gz DHPVBOAKJSLMQB-OAHLLOKOSA-N 1 0 392.345 2.537 20 0 GFADRO Cc1ccc(-n2nc(Br)cc2C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc1 ZINC000184961271 552349623 /nfs/dbraw/zinc/34/96/23/552349623.db2.gz ZSBHAVUKRZKBKS-CFVMTHIKSA-N 1 0 389.297 2.753 20 0 GFADRO CS(=O)(=O)CCCCC[NH2+]Cc1cc(Br)c2c(c1)OCCO2 ZINC000185210642 552357530 /nfs/dbraw/zinc/35/75/30/552357530.db2.gz ZITQDAWXOLHCGZ-UHFFFAOYSA-N 1 0 392.315 2.525 20 0 GFADRO Nc1cc(Br)ccc1C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000185272283 552359096 /nfs/dbraw/zinc/35/90/96/552359096.db2.gz SXDSYOSJAFHIQZ-UHFFFAOYSA-N 1 0 396.329 2.748 20 0 GFADRO C[C@H](CNC(=O)NC(C)(C)COc1ncccc1Br)[N@H+](C)C1CC1 ZINC000185987237 552376409 /nfs/dbraw/zinc/37/64/09/552376409.db2.gz GLXRJLSCOFPPKC-GFCCVEGCSA-N 1 0 399.333 2.783 20 0 GFADRO CC(C)(CC(N)=O)[NH2+]CC(=O)Nc1ccc(Br)c(C(F)(F)F)c1 ZINC000186226164 552382385 /nfs/dbraw/zinc/38/23/85/552382385.db2.gz ZQABZVGGWKIWBW-UHFFFAOYSA-N 1 0 396.207 2.650 20 0 GFADRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)c1ccc(Cl)c(I)c1 ZINC000186758472 552396911 /nfs/dbraw/zinc/39/69/11/552396911.db2.gz JPUBKUIEHNVVKF-UFBFGSQYSA-N 1 0 378.641 2.672 20 0 GFADRO Cc1cc(CCC(=O)N2CC[N@@H+](C[C@@H](C)O)C[C@@H]2C)ccc1Br ZINC000186940841 552401849 /nfs/dbraw/zinc/40/18/49/552401849.db2.gz UVQRONDRYNPCNM-LSDHHAIUSA-N 1 0 383.330 2.604 20 0 GFADRO CC(C)[C@H](C[NH2+][C@H](C)c1ncc(Br)cc1F)N1CCN(C)CC1 ZINC000186981541 552403305 /nfs/dbraw/zinc/40/33/05/552403305.db2.gz ZHKWVVIRMPAVNM-CJNGLKHVSA-N 1 0 387.341 2.906 20 0 GFADRO CN(CC1([NH+](C)C)CCC1)C(=O)c1c(F)cccc1I ZINC000187001786 552404444 /nfs/dbraw/zinc/40/44/44/552404444.db2.gz NRXIONPDGYHFEK-UHFFFAOYSA-N 1 0 390.240 2.987 20 0 GFADRO Cc1cc(Br)c(F)cc1NC(=O)C(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000187222911 552410042 /nfs/dbraw/zinc/41/00/42/552410042.db2.gz AVVAZLIJUIGMOU-GHMZBOCLSA-N 1 0 398.276 2.577 20 0 GFADRO Cc1ccc(Br)cc1CNC(=O)NCCCC[NH+]1CCOCC1 ZINC000187390541 552414450 /nfs/dbraw/zinc/41/44/50/552414450.db2.gz SXSAPNYNEIBGOZ-UHFFFAOYSA-N 1 0 384.318 2.669 20 0 GFADRO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]C[C@@H](O)c2ccc(F)cc2Cl)c1 ZINC000187426323 552415652 /nfs/dbraw/zinc/41/56/52/552415652.db2.gz VYEDCLWOQYLFFI-PIGZYNQJSA-N 1 0 386.876 2.771 20 0 GFADRO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)C(=O)Nc1ccsc1Cl ZINC000187419448 552415702 /nfs/dbraw/zinc/41/57/02/552415702.db2.gz QHTPQUBDMDDIFR-UHFFFAOYSA-N 1 0 378.885 2.768 20 0 GFADRO COc1cccc([C@H](CNC(=O)C(=O)Nc2ccsc2Cl)[NH+](C)C)c1 ZINC000187775532 552423924 /nfs/dbraw/zinc/42/39/24/552423924.db2.gz PTYQRTJOWIGHAO-AWEZNQCLSA-N 1 0 381.885 2.768 20 0 GFADRO COc1cc([C@H](C)[NH2+][C@H]2CCC[C@@H]2CCO)ccc1S(=O)(=O)C(F)F ZINC000187997686 552430493 /nfs/dbraw/zinc/43/04/93/552430493.db2.gz GLJHPEXVZDSEPY-SCRDCRAPSA-N 1 0 377.453 2.893 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)NC[C@H](C)[N@H+](C)C2CC2)cc1Br ZINC000188099585 552435043 /nfs/dbraw/zinc/43/50/43/552435043.db2.gz APQXHNKIQJDZKB-LBPRGKRZSA-N 1 0 382.302 2.603 20 0 GFADRO CCS(=O)(=O)NCC[NH2+][C@H](CC1CC1)c1cc(F)cc(Br)c1 ZINC000188189335 552438794 /nfs/dbraw/zinc/43/87/94/552438794.db2.gz YXCFFNRFLIKPJO-OAHLLOKOSA-N 1 0 393.322 2.958 20 0 GFADRO C[C@@H]([NH2+]CC(=O)N1CCOCC1)c1ccc(Br)cc1C(F)(F)F ZINC000188337247 552442799 /nfs/dbraw/zinc/44/27/99/552442799.db2.gz RODWTBDWNZSKML-SNVBAGLBSA-N 1 0 395.219 2.977 20 0 GFADRO Cc1ccc(CC(=O)NCCCC[N@@H+]2CCC[C@@H]2CO)cc1Br ZINC000188565994 552448547 /nfs/dbraw/zinc/44/85/47/552448547.db2.gz YWUPAEIMLHYSKM-MRXNPFEDSA-N 1 0 383.330 2.653 20 0 GFADRO O=C(c1cnn(-c2ccc(Br)cc2)c1)N1CC[NH+]2CCC1CC2 ZINC000188664200 552451378 /nfs/dbraw/zinc/45/13/78/552451378.db2.gz KVYOBSMDJMCCFV-UHFFFAOYSA-N 1 0 375.270 2.555 20 0 GFADRO Brc1ccc(CNCCC[NH+]2CCCC2)c(N2CCOCC2)c1 ZINC000188690833 552452111 /nfs/dbraw/zinc/45/21/11/552452111.db2.gz ZCAXNNSRUHWWRJ-UHFFFAOYSA-N 1 0 382.346 2.861 20 0 GFADRO Brc1ccc(C[NH2+]CCN2CCCCC2)c(N2CCOCC2)c1 ZINC000188693283 552452181 /nfs/dbraw/zinc/45/21/81/552452181.db2.gz ORVXQBHZCZBYJD-UHFFFAOYSA-N 1 0 382.346 2.861 20 0 GFADRO C[C@H](C[NH2+]Cc1ccc(Br)cc1N1CCOCC1)Cn1ccnc1 ZINC000188711453 552453286 /nfs/dbraw/zinc/45/32/86/552453286.db2.gz PQLJTHMLYHJIMY-OAHLLOKOSA-N 1 0 393.329 2.908 20 0 GFADRO O=C(Nc1cc(-c2ccc(Br)s2)[nH]n1)c1n[nH]c2c1C[NH2+]CC2 ZINC000188863036 552457064 /nfs/dbraw/zinc/45/70/64/552457064.db2.gz JVLPDOOKAJIYJB-UHFFFAOYSA-N 1 0 393.270 2.522 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)c(C)c1C(=O)N1CC[NH2+][C@H](C)C1 ZINC000189006462 552460717 /nfs/dbraw/zinc/46/07/17/552460717.db2.gz KRNBMKVKYCQBGY-LLVKDONJSA-N 1 0 377.286 2.686 20 0 GFADRO COCCC[N@H+](C)CCNC(=O)Nc1cc(Br)c(F)cc1F ZINC000189068012 552461769 /nfs/dbraw/zinc/46/17/69/552461769.db2.gz FYNGOWSNRJPMGC-UHFFFAOYSA-N 1 0 380.233 2.817 20 0 GFADRO C[C@H]1C(=O)NCCCN1Cc1ccnc(-c2ccc(Br)cc2)n1 ZINC000189271736 552467760 /nfs/dbraw/zinc/46/77/60/552467760.db2.gz PDTXWHUXZBFKJB-LBPRGKRZSA-N 1 0 375.270 2.617 20 0 GFADRO Cc1ccc(S(=O)(=O)NCC2CCN(c3cc[nH+]cc3)CC2)c(Cl)n1 ZINC000189792780 552479816 /nfs/dbraw/zinc/47/98/16/552479816.db2.gz XVVILLJHUSNFBW-UHFFFAOYSA-N 1 0 380.901 2.633 20 0 GFADRO CCN(CCC[NH+](C)C)C(=O)C(=O)Nc1ccc(Br)c(Cl)c1 ZINC000189828104 552480826 /nfs/dbraw/zinc/48/08/26/552480826.db2.gz IQGADGMNWQOVKW-UHFFFAOYSA-N 1 0 390.709 2.841 20 0 GFADRO CC[C@@H]([NH2+]CCOCC(F)(F)C(F)(F)F)c1cccc(S(N)(=O)=O)c1 ZINC000189845014 552481435 /nfs/dbraw/zinc/48/14/35/552481435.db2.gz XSQUAQMABJNLRR-GFCCVEGCSA-N 1 0 390.374 2.589 20 0 GFADRO CS(=O)(=O)c1cc(NC(=O)N2CCC([NH+]3CCCC3)CC2)ccc1Cl ZINC000189893318 552482403 /nfs/dbraw/zinc/48/24/03/552482403.db2.gz QWQMVFOQRLXAOT-UHFFFAOYSA-N 1 0 385.917 2.836 20 0 GFADRO Cc1ccc(Br)nc1C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000189951070 552483926 /nfs/dbraw/zinc/48/39/26/552483926.db2.gz NZOAWTCAAQWDTK-UHFFFAOYSA-N 1 0 389.297 2.942 20 0 GFADRO O=C(Nc1c(F)cccc1Br)C(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000190018932 552485369 /nfs/dbraw/zinc/48/53/69/552485369.db2.gz NLWKYPRDMVKQTH-GFCCVEGCSA-N 1 0 398.276 2.614 20 0 GFADRO CCOc1cc(C[N@@H+]2CCSC[C@H](C)C2)nc2nc(C(F)(F)F)nn21 ZINC000190448512 552496399 /nfs/dbraw/zinc/49/63/99/552496399.db2.gz VCIPVORWJDSAOH-SNVBAGLBSA-N 1 0 375.420 2.727 20 0 GFADRO CN(CC1CC[NH+](C)CC1)C(=O)C(=O)Nc1cc(Cl)c(F)c(Cl)c1 ZINC000190451167 552496810 /nfs/dbraw/zinc/49/68/10/552496810.db2.gz DWCJEIYYHDFHIR-UHFFFAOYSA-N 1 0 376.259 2.871 20 0 GFADRO CCS(=O)(=O)N1CC(C[NH2+][C@H](C)c2ccc(SCC(F)F)cc2)C1 ZINC000190667695 552505462 /nfs/dbraw/zinc/50/54/62/552505462.db2.gz AXVRSPJTMOLBFO-GFCCVEGCSA-N 1 0 378.510 2.976 20 0 GFADRO COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N(CC[NH+](C)C)C(C)C ZINC000190795164 552508877 /nfs/dbraw/zinc/50/88/77/552508877.db2.gz DYBJAMANOGDOLX-CQSZACIVSA-N 1 0 392.949 2.714 20 0 GFADRO Cc1csc(C(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)c1Br ZINC000190860774 552511261 /nfs/dbraw/zinc/51/12/61/552511261.db2.gz DIUZWQMCGJFWFQ-GFCCVEGCSA-N 1 0 375.332 2.906 20 0 GFADRO CC[C@H](C)OCC(=O)Nc1ccc(CN2CC[NH+](C)CC2)c(Br)c1 ZINC000191084329 552518018 /nfs/dbraw/zinc/51/80/18/552518018.db2.gz OLNNVVZNRGHFAO-AWEZNQCLSA-N 1 0 398.345 2.950 20 0 GFADRO COCCCC(=O)Nc1ccc(CN2CC[NH+](C)CC2)c(Br)c1 ZINC000191090339 552518528 /nfs/dbraw/zinc/51/85/28/552518528.db2.gz WTTSRXIWLCWVJC-UHFFFAOYSA-N 1 0 384.318 2.562 20 0 GFADRO COC(=O)[C@]1(C)CC[N@H+](Cc2ccc(Br)cc2N2CCOCC2)C1 ZINC000191696485 552535165 /nfs/dbraw/zinc/53/51/65/552535165.db2.gz PAZVOPSRMAQILV-GOSISDBHSA-N 1 0 397.313 2.671 20 0 GFADRO CC[NH+](CC)CCCN1CCCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000191779933 552537853 /nfs/dbraw/zinc/53/78/53/552537853.db2.gz FMTJUTTYQVPVKT-UHFFFAOYSA-N 1 0 394.006 2.830 20 0 GFADRO CN(C)S(=O)(=O)c1cc(NC(=O)C[NH2+][C@H]2CCCC2(C)C)ccc1Cl ZINC000191852593 552540185 /nfs/dbraw/zinc/54/01/85/552540185.db2.gz DSKLZHWHTGAFNG-HNNXBMFYSA-N 1 0 387.933 2.697 20 0 GFADRO Cc1cc(S(=O)(=O)N2CCC[C@H]2CN2C[C@@H](C)O[C@@H](C)C2)sc1Cl ZINC000191912508 552542094 /nfs/dbraw/zinc/54/20/94/552542094.db2.gz YUZIOLPAAGDDCH-MJBXVCDLSA-N 1 0 392.974 2.972 20 0 GFADRO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1cc(Br)c(F)cc1C ZINC000191969342 552544511 /nfs/dbraw/zinc/54/45/11/552544511.db2.gz FBFIMZFGGIWURD-NSHDSACASA-N 1 0 388.281 2.682 20 0 GFADRO COC(=O)[C@H](c1ccc(Cl)c(Cl)c1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000192059882 552548449 /nfs/dbraw/zinc/54/84/49/552548449.db2.gz UJZFUHNNBZPTCJ-DYVFJYSZSA-N 1 0 387.307 2.862 20 0 GFADRO COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000192089872 552550323 /nfs/dbraw/zinc/55/03/23/552550323.db2.gz BKEKWPOTKTWGNC-VHSXEESVSA-N 1 0 386.279 2.682 20 0 GFADRO CN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc(Cl)c(Br)c1 ZINC000192184268 552554740 /nfs/dbraw/zinc/55/47/40/552554740.db2.gz HOTYUWRAZMUJHT-UHFFFAOYSA-N 1 0 381.723 2.817 20 0 GFADRO C[NH+](C)C1CCN(S(=O)(=O)c2ccc(Cl)c(Br)c2)CC1 ZINC000192187392 552555355 /nfs/dbraw/zinc/55/53/55/552555355.db2.gz JXWWOYFTIXAQJB-UHFFFAOYSA-N 1 0 381.723 2.817 20 0 GFADRO COc1cc(Cl)c(Br)cc1C(=O)NCCN1CCCOCC1 ZINC000192220053 552556317 /nfs/dbraw/zinc/55/63/17/552556317.db2.gz RFDIYGOOLYUSKA-UHFFFAOYSA-N 1 0 391.693 2.563 20 0 GFADRO CN(C(=O)c1cc(Br)nn1C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000192312225 552559324 /nfs/dbraw/zinc/55/93/24/552559324.db2.gz MDDRZPKHNLOWOU-UHFFFAOYSA-N 1 0 391.313 2.919 20 0 GFADRO CCN1CC[NH+](C[C@H](C)CNC(=O)Nc2cc(Cl)c(N)c(Cl)c2)CC1 ZINC000192309306 552559428 /nfs/dbraw/zinc/55/94/28/552559428.db2.gz QMLDYALXTNUREK-GFCCVEGCSA-N 1 0 388.343 2.971 20 0 GFADRO CN(C(=O)c1cc(Br)nn1C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000192365133 552560954 /nfs/dbraw/zinc/56/09/54/552560954.db2.gz VPVXRLYQBFVFCA-HNNXBMFYSA-N 1 0 391.313 2.919 20 0 GFADRO CC(C)[C@@](C)([NH2+]CCCN1C(=O)CNC1=O)c1ccc(Br)cc1 ZINC000192373467 552561457 /nfs/dbraw/zinc/56/14/57/552561457.db2.gz XGTREFAWLVDKGR-QGZVFWFLSA-N 1 0 382.302 2.852 20 0 GFADRO COC(=O)c1cccc(NC(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)c1Br ZINC000192424914 552563017 /nfs/dbraw/zinc/56/30/17/552563017.db2.gz TVUIGJTWJBCJJM-NWDGAFQWSA-N 1 0 396.285 2.936 20 0 GFADRO CCCS(=O)(=O)N1CCC([NH2+]Cc2c(F)cccc2Br)CC1 ZINC000192474206 552565221 /nfs/dbraw/zinc/56/52/21/552565221.db2.gz JNXFWBLUHSLTMC-UHFFFAOYSA-N 1 0 393.322 2.882 20 0 GFADRO CCCOc1c(Br)cc(C(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)cc1OC ZINC000192500919 552565637 /nfs/dbraw/zinc/56/56/37/552565637.db2.gz SULMVFCGFABTPX-OKILXGFUSA-N 1 0 397.313 2.880 20 0 GFADRO Cc1sc(Br)c(C(=O)N[C@@H](CO)C[NH+]2CCCCC2)c1C ZINC000293577845 563818883 /nfs/dbraw/zinc/81/88/83/563818883.db2.gz JNOQBTWXRZKLMH-GFCCVEGCSA-N 1 0 375.332 2.704 20 0 GFADRO COc1cc(Cl)c(S(=O)(=O)NC2CC[NH+](CC3CC3)CC2)cc1OC ZINC000192811991 552974502 /nfs/dbraw/zinc/97/45/02/552974502.db2.gz NZJXNQJTUAAHGG-UHFFFAOYSA-N 1 0 388.917 2.510 20 0 GFADRO COc1cc(Cl)c(S(=O)(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)cc1OC ZINC000192822096 552975292 /nfs/dbraw/zinc/97/52/92/552975292.db2.gz DVJQSGXYUCKJRS-RYUDHWBXSA-N 1 0 376.906 2.508 20 0 GFADRO COc1ccc(Br)c(C(=O)NCCC[NH2+][C@H](C)c2ccnn2C)c1 ZINC000192849264 552976449 /nfs/dbraw/zinc/97/64/49/552976449.db2.gz VIOYJPBHFUKIDM-GFCCVEGCSA-N 1 0 395.301 2.662 20 0 GFADRO CCC[NH+](CCC)CCCNC(=O)C(=O)Nc1cc(C)c(Br)cn1 ZINC000193186358 552985714 /nfs/dbraw/zinc/98/57/14/552985714.db2.gz KAQCEKYZHYAOFB-UHFFFAOYSA-N 1 0 399.333 2.719 20 0 GFADRO C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)N1CCC([NH+](C)C)CC1 ZINC000193232788 552986802 /nfs/dbraw/zinc/98/68/02/552986802.db2.gz DPWLXQXHUOCAJO-AWEZNQCLSA-N 1 0 382.346 2.822 20 0 GFADRO C[NH2+]CCCNS(=O)(=O)c1cc(Br)c(Cl)cc1Cl ZINC000193236701 552987443 /nfs/dbraw/zinc/98/74/43/552987443.db2.gz ATIFWBNPZVRSSL-UHFFFAOYSA-N 1 0 376.103 2.644 20 0 GFADRO Cc1cc(N2CC[C@H]([NH2+][C@H](C)c3ccnn3C)C2=O)ccc1Br ZINC000193292986 552988884 /nfs/dbraw/zinc/98/88/84/552988884.db2.gz FTOJTPUSDYRLLX-DOMZBBRYSA-N 1 0 377.286 2.947 20 0 GFADRO Cc1cc(Br)cc(S(=O)(=O)N2CCC([NH2+]CC3CC3)CC2)c1 ZINC000193294941 552989363 /nfs/dbraw/zinc/98/93/63/552989363.db2.gz WZDNSQIDSHBHNR-UHFFFAOYSA-N 1 0 387.343 2.910 20 0 GFADRO [NH3+]C[C@@H](NS(=O)(=O)c1cc(Br)c(Cl)cc1Cl)C1CC1 ZINC000193294363 552989408 /nfs/dbraw/zinc/98/94/08/552989408.db2.gz PVYSXWYICMIEIV-SNVBAGLBSA-N 1 0 388.114 2.772 20 0 GFADRO C[NH+](C)Cc1ccnc(NC(=O)[C@@H]2Cc3cc(Br)ccc3O2)c1 ZINC000193581397 552997513 /nfs/dbraw/zinc/99/75/13/552997513.db2.gz XBWNQWUNWCPAQG-HNNXBMFYSA-N 1 0 376.254 2.848 20 0 GFADRO O=C(NCCC[NH+]1CCCC1)C1CCN(C(=O)c2ccc(Cl)s2)CC1 ZINC000193718303 553000957 /nfs/dbraw/zinc/00/09/57/553000957.db2.gz VPHUCDYOKKDEQP-UHFFFAOYSA-N 1 0 383.945 2.856 20 0 GFADRO O=S(=O)(c1c(F)c(F)cc(F)c1F)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000193763567 553002740 /nfs/dbraw/zinc/00/27/40/553002740.db2.gz ZKLVGVQTZDYDGP-NSHDSACASA-N 1 0 380.407 2.882 20 0 GFADRO CC1(C)CC(NC(=O)CNC(=O)c2ccc(Br)cc2)CC(C)(C)[NH2+]1 ZINC000193995645 553009271 /nfs/dbraw/zinc/00/92/71/553009271.db2.gz HAFWOIAUDWEEPL-UHFFFAOYSA-N 1 0 396.329 2.604 20 0 GFADRO O=C(NC1CC[NH+](CC2CC2)CC1)c1cccc(I)c1 ZINC000194225912 553015465 /nfs/dbraw/zinc/01/54/65/553015465.db2.gz BMPSCCGNQWNIEL-UHFFFAOYSA-N 1 0 384.261 2.895 20 0 GFADRO Cc1c(C(=O)NC[C@H]2CCC[N@H+]2C)cnn1-c1ccc(Br)cc1 ZINC000194709027 553027373 /nfs/dbraw/zinc/02/73/73/553027373.db2.gz DBHQQDLRMUZBFM-OAHLLOKOSA-N 1 0 377.286 2.767 20 0 GFADRO C[C@H]1C[N@@H+](C2CCN(C(=O)Cc3cccc(Br)c3)CC2)CCO1 ZINC000194826531 553031409 /nfs/dbraw/zinc/03/14/09/553031409.db2.gz QNSAYSGBSICPAM-AWEZNQCLSA-N 1 0 381.314 2.703 20 0 GFADRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)Nc1cccc(Cl)c1Cl ZINC000195054288 553036792 /nfs/dbraw/zinc/03/67/92/553036792.db2.gz AINMGLLTVUDRJF-GFCCVEGCSA-N 1 0 388.295 2.501 20 0 GFADRO C[NH+]1CCC(CCNC(=O)Cc2cc3c(cc2Br)OCCO3)CC1 ZINC000195251611 553042569 /nfs/dbraw/zinc/04/25/69/553042569.db2.gz KZACNBVHNNVJNR-UHFFFAOYSA-N 1 0 397.313 2.611 20 0 GFADRO COCCNS(=O)(=O)c1cccc(C[NH2+]Cc2ccc(C)c(Cl)c2)c1 ZINC000195443841 553048629 /nfs/dbraw/zinc/04/86/29/553048629.db2.gz NZGKOOZPWWGAOO-UHFFFAOYSA-N 1 0 382.913 2.863 20 0 GFADRO COC[C@@H](CCO)[NH2+]Cc1cc(Br)cc(Br)c1OC ZINC000219133563 553054404 /nfs/dbraw/zinc/05/44/04/553054404.db2.gz IORBYQVTVJDRES-LLVKDONJSA-N 1 0 397.107 2.707 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)c1ccc(F)cc1I ZINC000226194121 553060880 /nfs/dbraw/zinc/06/08/80/553060880.db2.gz BKTPPGNDRXBIPK-TVQRCGJNSA-N 1 0 376.213 2.772 20 0 GFADRO C[NH+](C)C[C@@H]1CCCN1C(=O)c1ccc(F)cc1I ZINC000226839984 553062206 /nfs/dbraw/zinc/06/22/06/553062206.db2.gz IJPGGFPBXFMIFS-NSHDSACASA-N 1 0 376.213 2.597 20 0 GFADRO C[NH+](C)C[C@H]1CCCN1C(=O)c1ccc(F)cc1I ZINC000226839990 553062210 /nfs/dbraw/zinc/06/22/10/553062210.db2.gz IJPGGFPBXFMIFS-LLVKDONJSA-N 1 0 376.213 2.597 20 0 GFADRO COC[C@H](C[NH2+]Cc1cc(Br)cc(Br)c1OC)OC ZINC000227704535 553063179 /nfs/dbraw/zinc/06/31/79/553063179.db2.gz IFMILIHIJREESZ-NSHDSACASA-N 1 0 397.107 2.971 20 0 GFADRO C[C@@H](NCc1ncc(Br)cc1Br)C(=O)NC(C)(C)C ZINC000228968555 553063834 /nfs/dbraw/zinc/06/38/34/553063834.db2.gz HEWQWFVMNMWFBV-MRVPVSSYSA-N 1 0 393.123 2.999 20 0 GFADRO CCN1CCN(C(=O)c2ccc(F)cc2I)C[C@@H]1C ZINC000229343035 553063932 /nfs/dbraw/zinc/06/39/32/553063932.db2.gz KKWFJMRIVCRVPP-JTQLQIEISA-N 1 0 376.213 2.597 20 0 GFADRO C[C@H](C[NH+]1CCCCC1)NS(=O)(=O)c1ccc(Br)c(F)c1 ZINC000235460067 553068644 /nfs/dbraw/zinc/06/86/44/553068644.db2.gz GWBZLGSLDWLXIZ-LLVKDONJSA-N 1 0 379.295 2.741 20 0 GFADRO O=C(CCOc1cccc(Br)c1)NCCC[NH2+]Cc1cccnc1 ZINC000236635332 553069636 /nfs/dbraw/zinc/06/96/36/553069636.db2.gz XUXRIHQQUWIVQS-UHFFFAOYSA-N 1 0 392.297 2.909 20 0 GFADRO CC(C)([NH3+])CNC(=O)c1cc(I)cc(C(F)(F)F)c1 ZINC000236624749 553069907 /nfs/dbraw/zinc/06/99/07/553069907.db2.gz JTQUIQFXFMWLQM-UHFFFAOYSA-N 1 0 386.155 2.777 20 0 GFADRO CC(=O)N[C@H](CC(=O)N[C@](C)(C[NH3+])C(C)C)c1ccc(Br)cc1 ZINC000236815055 553071485 /nfs/dbraw/zinc/07/14/85/553071485.db2.gz UFGGXARDPOXYOM-NVXWUHKLSA-N 1 0 384.318 2.506 20 0 GFADRO CCc1c(C(=O)NC[C@H](C)C[NH2+]C)cnn1-c1ccc(Br)cc1 ZINC000236955779 553072935 /nfs/dbraw/zinc/07/29/35/553072935.db2.gz FEKFHHHZBHYVJQ-GFCCVEGCSA-N 1 0 379.302 2.783 20 0 GFADRO CC[NH2+]CC1CCN(S(=O)(=O)c2cc(C)ccc2Br)CC1 ZINC000237049141 553074187 /nfs/dbraw/zinc/07/41/87/553074187.db2.gz UJTWWQVLRLCURW-UHFFFAOYSA-N 1 0 375.332 2.768 20 0 GFADRO COCCN1CCC([NH2+][C@@H](C)CC(=O)Nc2ccc(Br)cc2)CC1 ZINC000237111168 553074908 /nfs/dbraw/zinc/07/49/08/553074908.db2.gz PBLDDNRMRXSKKB-AWEZNQCLSA-N 1 0 398.345 2.867 20 0 GFADRO C[NH2+]C[C@H]1CCCN1C(=O)[C@@H](CCOC)Cc1cccc(Br)c1 ZINC000237239801 553076058 /nfs/dbraw/zinc/07/60/58/553076058.db2.gz AMKXDFJSTYHBSU-DOTOQJQBSA-N 1 0 383.330 2.855 20 0 GFADRO COc1cc(NC(=O)c2nnn(C3CC[NH2+]CC3)c2C)ccc1Br ZINC000237303827 553076590 /nfs/dbraw/zinc/07/65/90/553076590.db2.gz DEPFZYYDBQUVMD-UHFFFAOYSA-N 1 0 394.273 2.534 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)c1cc(F)c(F)cc1I ZINC000237371837 553076926 /nfs/dbraw/zinc/07/69/26/553076926.db2.gz BOQZUUWEAKXIFE-OQPBUACISA-N 1 0 394.203 2.911 20 0 GFADRO Cc1nn(Cc2cccc(Br)c2)c(C)c1C(=O)NC[C@@H](C)C[NH3+] ZINC000237382104 553076970 /nfs/dbraw/zinc/07/69/70/553076970.db2.gz GJXYDGUNHIICMJ-NSHDSACASA-N 1 0 379.302 2.635 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)Cc2csc(NC(=O)c3cccs3)n2)C1 ZINC000237488482 553078217 /nfs/dbraw/zinc/07/82/17/553078217.db2.gz ZYVIDSGQSRXMEW-NWDGAFQWSA-N 1 0 378.523 2.585 20 0 GFADRO C[C@@H]1CN(C(=O)c2ccc(Cl)c(I)c2)[C@@H](C)C[NH2+]1 ZINC000237480703 553078526 /nfs/dbraw/zinc/07/85/26/553078526.db2.gz BCBVNJPUWWMCEK-BDAKNGLRSA-N 1 0 378.641 2.767 20 0 GFADRO Cc1c(C(=O)N[C@@H](C)c2ccccc2Br)nnn1C1CC[NH2+]CC1 ZINC000237502532 553078624 /nfs/dbraw/zinc/07/86/24/553078624.db2.gz VWFNIXSAYQIFDM-NSHDSACASA-N 1 0 392.301 2.765 20 0 GFADRO C[C@H]1C[C@@H]([NH3+])CCN1C(=O)c1ccc(Cl)c(I)c1 ZINC000237516448 553078827 /nfs/dbraw/zinc/07/88/27/553078827.db2.gz PTSVAHZCNAQOPC-WPRPVWTQSA-N 1 0 378.641 2.896 20 0 GFADRO C[C@@]1(C(=O)Nc2cc(F)c(I)c(F)c2)CCC[NH2+]C1 ZINC000237516290 553078906 /nfs/dbraw/zinc/07/89/06/553078906.db2.gz HMWBGJZYUZMHIO-CYBMUJFWSA-N 1 0 380.176 2.898 20 0 GFADRO C[C@H](Cc1ccc(F)c(Br)c1)NC(=O)C[C@@H]1CSCC[NH2+]1 ZINC000237529040 553078954 /nfs/dbraw/zinc/07/89/54/553078954.db2.gz YPTSLAMWOBKISZ-ZYHUDNBSSA-N 1 0 375.307 2.731 20 0 GFADRO C[C@@](C[NH3+])(NC(=O)CCc1nc(-c2cc(Br)cs2)no1)C1CC1 ZINC000237624165 553079856 /nfs/dbraw/zinc/07/98/56/553079856.db2.gz QASQIVOEFREYCD-HNNXBMFYSA-N 1 0 399.314 2.737 20 0 GFADRO O=S(=O)(NCC[C@@H]1CCC[NH2+]C1)c1c(Cl)cc(F)cc1Br ZINC000237706554 553080531 /nfs/dbraw/zinc/08/05/31/553080531.db2.gz NJEPGRRLMVJJSV-VIFPVBQESA-N 1 0 399.713 2.910 20 0 GFADRO O=C(Nc1c(Cl)cc(NC(=O)[C@@H]2CC[NH2+]C2)cc1Cl)c1cnccn1 ZINC000237709707 553081114 /nfs/dbraw/zinc/08/11/14/553081114.db2.gz NBMXQKGPOWKZLL-SECBINFHSA-N 1 0 380.235 2.584 20 0 GFADRO O=C(NCCOc1ncc(C(F)(F)F)cc1Cl)[C@H]1CC12CC[NH2+]CC2 ZINC000237708616 553081177 /nfs/dbraw/zinc/08/11/77/553081177.db2.gz ZTRNDGCOEKLYBG-LLVKDONJSA-N 1 0 377.794 2.639 20 0 GFADRO Cc1c(C(=O)NCC2([NH3+])CCCCC2)nnn1-c1cccc(Br)c1 ZINC000237779217 553081581 /nfs/dbraw/zinc/08/15/81/553081581.db2.gz CLZREKNRFNCKPJ-UHFFFAOYSA-N 1 0 392.301 2.730 20 0 GFADRO C[C@]1(C(=O)N2CCN(C(=O)c3c(Cl)cccc3Cl)CC2)CCCC[NH2+]1 ZINC000237796944 553082162 /nfs/dbraw/zinc/08/21/62/553082162.db2.gz FEYDTVNPGKLMEM-GOSISDBHSA-N 1 0 384.307 2.810 20 0 GFADRO O=C(NC[C@@H]1CCCN(C(=O)c2c(Cl)cccc2Cl)C1)[C@@H]1CCC[NH2+]1 ZINC000237837380 553082872 /nfs/dbraw/zinc/08/28/72/553082872.db2.gz AZFYRCINFUPORH-WFASDCNBSA-N 1 0 384.307 2.714 20 0 GFADRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)c1cc(=O)[nH]c2ccc(Br)cc21 ZINC000237888050 553083200 /nfs/dbraw/zinc/08/32/00/553083200.db2.gz OQGYKXQKAXLPAD-HZMBPMFUSA-N 1 0 378.270 2.950 20 0 GFADRO [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)N1CCN(c2ccc(Br)cn2)CC1 ZINC000237856117 553083371 /nfs/dbraw/zinc/08/33/71/553083371.db2.gz ARPGDPSUAMDUSS-JKSUJKDBSA-N 1 0 395.345 2.790 20 0 GFADRO O=C(Nc1cccc(S(=O)(=O)Nc2ccccc2Cl)c1)[C@H]1CCC[NH2+]1 ZINC000237921081 553084144 /nfs/dbraw/zinc/08/41/44/553084144.db2.gz ZXYLWYXNPRTDGS-MRXNPFEDSA-N 1 0 379.869 2.831 20 0 GFADRO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1 ZINC000238020722 553085323 /nfs/dbraw/zinc/08/53/23/553085323.db2.gz TVIVACITVLBNRX-XJKSGUPXSA-N 1 0 384.929 2.670 20 0 GFADRO O[C@H](C[N@@H+]1CCCC[C@H]1CN1CCOCC1)c1cccc(Br)c1 ZINC000245817719 553097739 /nfs/dbraw/zinc/09/77/39/553097739.db2.gz SKVFDKTXNMZFKD-ZWKOTPCHSA-N 1 0 383.330 2.669 20 0 GFADRO COC(=O)C[C@@H]1CSCCN1[C@H]1CCCN(c2ccccc2Cl)C1=O ZINC000246001034 553101031 /nfs/dbraw/zinc/10/10/31/553101031.db2.gz JUHSWCDASGVFDP-CJNGLKHVSA-N 1 0 382.913 2.816 20 0 GFADRO C[C@@H]1CC[C@@H]([NH2+]C[C@@H](O)COc2ccc(I)cc2)C1 ZINC000246173669 553103885 /nfs/dbraw/zinc/10/38/85/553103885.db2.gz MSCGUBLGZJQOSU-MRVWCRGKSA-N 1 0 375.250 2.809 20 0 GFADRO CN1CC[C@H](NS(=O)(=O)C[C@@H]2CCCCO2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000246188439 553104155 /nfs/dbraw/zinc/10/41/55/553104155.db2.gz DISQBJAILBMZAD-RRQGHBQHSA-N 1 0 390.908 2.713 20 0 GFADRO O[C@H](CN1CCC[C@@H](C[NH+]2CCOCC2)C1)c1cccc(Br)c1 ZINC000246547359 553109396 /nfs/dbraw/zinc/10/93/96/553109396.db2.gz CGMBOLKDLMPGDU-MAUKXSAKSA-N 1 0 383.330 2.527 20 0 GFADRO C[C@H]1CCC[N@H+](CC(=O)Nc2ccc(Cl)c(S(=O)(=O)N(C)C)c2)[C@H]1C ZINC000246691195 553111347 /nfs/dbraw/zinc/11/13/47/553111347.db2.gz KEDPYNXATUVBLF-STQMWFEESA-N 1 0 387.933 2.649 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2cccc(OC(F)(F)F)c2)[C@@H](C)C1 ZINC000246702302 553111789 /nfs/dbraw/zinc/11/17/89/553111789.db2.gz ZLYHUPMUXGUABY-WFASDCNBSA-N 1 0 380.432 2.936 20 0 GFADRO O[C@H](COc1ccc(Cl)cc1Cl)C[N@@H+]1CCS[C@H]2COCC[C@H]21 ZINC000246749400 553112803 /nfs/dbraw/zinc/11/28/03/553112803.db2.gz HDGHEOKWZLFXDD-BJJXKVORSA-N 1 0 378.321 2.939 20 0 GFADRO CCOCCC[N@@H+]1CC[C@@H](NS(=O)(=O)c2ccc(Cl)s2)[C@@H](C)C1 ZINC000247089321 553118994 /nfs/dbraw/zinc/11/89/94/553118994.db2.gz DNTZYQKKRXFZLV-QWHCGFSZSA-N 1 0 380.963 2.817 20 0 GFADRO Cc1ccc(Cl)c(OC[C@H](O)CN(C)[C@@H]2CCCC[C@H]2S(C)(=O)=O)c1 ZINC000248615627 553131751 /nfs/dbraw/zinc/13/17/51/553131751.db2.gz YWHMAXGGHUMZMF-QGPMSJSTSA-N 1 0 389.945 2.676 20 0 GFADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NS(=O)(=O)Cc1ccc(Cl)nc1 ZINC000248792861 553135008 /nfs/dbraw/zinc/13/50/08/553135008.db2.gz IXLGOUJUCNJYCI-RHSMWYFYSA-N 1 0 379.913 2.675 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)c2cc(Br)nn2C)C1 ZINC000248846308 553135646 /nfs/dbraw/zinc/13/56/46/553135646.db2.gz RWTTXIWPXZSMIM-ZIAGYGMSSA-N 1 0 383.334 2.909 20 0 GFADRO C[C@H](Oc1cccc(Br)c1)C(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000249301659 553141531 /nfs/dbraw/zinc/14/15/31/553141531.db2.gz CCVDVAYQOVQSFC-KBPBESRZSA-N 1 0 399.329 2.520 20 0 GFADRO C[C@@H]1CN(C[C@@H](O)COc2ccc(Cl)cc2Cl)CC[N@@H+]1CC(C)(C)O ZINC000249320980 553142134 /nfs/dbraw/zinc/14/21/34/553142134.db2.gz GDRNZZQGMHSFKW-UKRRQHHQSA-N 1 0 391.339 2.510 20 0 GFADRO C[C@H](C(=O)Nc1ccc(Br)cc1)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000249400534 553142937 /nfs/dbraw/zinc/14/29/37/553142937.db2.gz SMIRAQIKPKOJLF-UONOGXRCSA-N 1 0 398.345 2.553 20 0 GFADRO C[C@@H](C(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1)c1ccc(Br)s1 ZINC000249430481 553143002 /nfs/dbraw/zinc/14/30/02/553143002.db2.gz YYXGBYDUZKYZKW-VXGBXAGGSA-N 1 0 389.359 2.918 20 0 GFADRO Cc1cc(CCC(=O)N2CC[N@@H+](C[C@H](C)O)C[C@H]2C)ccc1Br ZINC000251949849 553149129 /nfs/dbraw/zinc/14/91/29/553149129.db2.gz UVQRONDRYNPCNM-CABCVRRESA-N 1 0 383.330 2.604 20 0 GFADRO C[C@H]1CCN(S(=O)(=O)c2ccc(Br)cc2Cl)C[C@H]1C[NH3+] ZINC000253197031 553150802 /nfs/dbraw/zinc/15/08/02/553150802.db2.gz ULAULKXVWMJREP-VHSXEESVSA-N 1 0 381.723 2.708 20 0 GFADRO C[NH2+][C@@H](C)CNC(=O)c1ccccc1N(C)C(=O)c1ccc(Br)o1 ZINC000261641756 553154996 /nfs/dbraw/zinc/15/49/96/553154996.db2.gz DIWSOZNMKWVJJS-NSHDSACASA-N 1 0 394.269 2.656 20 0 GFADRO C[C@@H]1CCN(C(=O)Cc2csc(NC(=O)c3cccs3)n2)[C@@H](C[NH3+])C1 ZINC000261637366 553155137 /nfs/dbraw/zinc/15/51/37/553155137.db2.gz AMXDWVXGPWDJJK-DGCLKSJQSA-N 1 0 378.523 2.585 20 0 GFADRO CCOc1c(Br)cc(C(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1OC ZINC000261717725 553157339 /nfs/dbraw/zinc/15/73/39/553157339.db2.gz GRZBVYWNZRNTJR-BETUJISGSA-N 1 0 397.313 2.928 20 0 GFADRO Cc1ccccc1[C@@H](O)CNC(=O)[C@](C)([NH3+])c1ccc(Br)cc1 ZINC000261733212 553157484 /nfs/dbraw/zinc/15/74/84/553157484.db2.gz LCDHDMCAFWMRQR-FUHWJXTLSA-N 1 0 377.282 2.781 20 0 GFADRO C[NH2+][C@@H](C)CNC(=O)c1cnn(-c2ncc(Cl)cc2Cl)c1C(F)(F)F ZINC000261733892 553157540 /nfs/dbraw/zinc/15/75/40/553157540.db2.gz LWPQLRNKOCFBEL-ZETCQYMHSA-N 1 0 396.200 2.931 20 0 GFADRO C[NH2+][C@H](C)Cc1noc(/C=C/c2cc(Br)c3c(c2)OCCO3)n1 ZINC000261746982 553157929 /nfs/dbraw/zinc/15/79/29/553157929.db2.gz LMEGNGYBISIRKQ-HMDXOVGESA-N 1 0 380.242 2.924 20 0 GFADRO COC(=O)C[C@H](NC(=O)CC[C@H]1CC[NH2+]C1)c1ccc(Br)cc1 ZINC000261774781 553158567 /nfs/dbraw/zinc/15/85/67/553158567.db2.gz JCXPIAYOZOEQDB-WFASDCNBSA-N 1 0 383.286 2.559 20 0 GFADRO O=C(CC[C@H]1CC[NH2+]C1)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000261783750 553159274 /nfs/dbraw/zinc/15/92/74/553159274.db2.gz BSGHURNCOJEDMN-ZDUSSCGKSA-N 1 0 384.307 2.668 20 0 GFADRO C[C@H]1CCCN(S(=O)(=O)c2c(Cl)cccc2Br)[C@H]1C[NH3+] ZINC000261776291 553159372 /nfs/dbraw/zinc/15/93/72/553159372.db2.gz PEAJREYGJCTROB-CABZTGNLSA-N 1 0 381.723 2.850 20 0 GFADRO O=C(CC[C@@H]1CC[NH2+]C1)Nc1cc(F)c(I)c(F)c1 ZINC000261794621 553159428 /nfs/dbraw/zinc/15/94/28/553159428.db2.gz DEDZDBMOGORRBB-MRVPVSSYSA-N 1 0 380.176 2.898 20 0 GFADRO [NH3+]CC[C@H]1CCCN(S(=O)(=O)c2c(Cl)cccc2Br)C1 ZINC000261814043 553159633 /nfs/dbraw/zinc/15/96/33/553159633.db2.gz SSGLGYVHTUMRLR-SNVBAGLBSA-N 1 0 381.723 2.852 20 0 GFADRO O=C(CC[C@@H]1CC[NH2+]C1)N1CCN(C(=O)c2c(Cl)cccc2Cl)CC1 ZINC000261821744 553160458 /nfs/dbraw/zinc/16/04/58/553160458.db2.gz IFGJVRPVWLRPHI-CYBMUJFWSA-N 1 0 384.307 2.668 20 0 GFADRO COCC1(CNC(=O)CCc2cc(Br)cs2)CC[NH2+]CC1 ZINC000261821529 553160646 /nfs/dbraw/zinc/16/06/46/553160646.db2.gz YAMVJGUOGVJBCC-UHFFFAOYSA-N 1 0 375.332 2.576 20 0 GFADRO O=C(NCc1nc2cc(Cl)ccc2s1)C1(n2cccn2)CC[NH2+]CC1 ZINC000261865649 553160976 /nfs/dbraw/zinc/16/09/76/553160976.db2.gz CPKRWCMYMJCOTE-UHFFFAOYSA-N 1 0 375.885 2.541 20 0 GFADRO CSC1(CNC(=O)[C@](C)([NH3+])c2ccc(Br)cc2)CCOCC1 ZINC000261872882 553161805 /nfs/dbraw/zinc/16/18/05/553161805.db2.gz XZGACARZMFOJQZ-OAHLLOKOSA-N 1 0 387.343 2.651 20 0 GFADRO COc1ccc(OC)c(CNC(=O)[C@](C)([NH3+])c2ccc(Br)cc2)c1 ZINC000261887419 553162434 /nfs/dbraw/zinc/16/24/34/553162434.db2.gz ZXCFDRMJDNSXSU-GOSISDBHSA-N 1 0 393.281 2.957 20 0 GFADRO COc1cc(NC(=O)[C@]2([NH3+])[C@@H]3CCCO[C@H]3C2(C)C)ccc1Br ZINC000261937175 553162695 /nfs/dbraw/zinc/16/26/95/553162695.db2.gz UCPXWXLZAFBJGM-JDSLSITLSA-N 1 0 383.286 2.929 20 0 GFADRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)c1cc(I)ccc1Cl ZINC000261921536 553163063 /nfs/dbraw/zinc/16/30/63/553163063.db2.gz IOKFCYMHDMEORC-BDAKNGLRSA-N 1 0 378.641 2.754 20 0 GFADRO Cc1c(C(=O)N2C[C@@H](C[NH3+])C[C@@H]2C)cnn1-c1cccc(Br)c1 ZINC000262012068 553164476 /nfs/dbraw/zinc/16/44/76/553164476.db2.gz QUSWNEDTSBBNHA-WCQYABFASA-N 1 0 377.286 2.753 20 0 GFADRO COCC[NH2+]CCNC(=O)c1ccc(Oc2ccc(Br)cc2)nc1 ZINC000262066517 553165158 /nfs/dbraw/zinc/16/51/58/553165158.db2.gz BDEFDCOOFLTLEG-UHFFFAOYSA-N 1 0 394.269 2.602 20 0 GFADRO Brc1cc2c(cc1CN1CC[NH2+]C[C@H]1c1ccncc1)OCO2 ZINC000262076820 553165294 /nfs/dbraw/zinc/16/52/94/553165294.db2.gz SSHWUONHJCPIGF-HNNXBMFYSA-N 1 0 376.254 2.719 20 0 GFADRO CC(C)(C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(Cl)cc1 ZINC000262061421 553165445 /nfs/dbraw/zinc/16/54/45/553165445.db2.gz RRYKIIBCYFCKAX-CQSZACIVSA-N 1 0 377.838 2.570 20 0 GFADRO Cc1sc2nc(CS[C@@H](C)C(=O)NC3CC[NH2+]CC3)[nH]c(=O)c2c1C ZINC000262111482 553166032 /nfs/dbraw/zinc/16/60/32/553166032.db2.gz DZINMHNYNIHOFE-NSHDSACASA-N 1 0 380.539 2.504 20 0 GFADRO CCC[C@](C)([NH3+])C(=O)N[C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000262174268 553167039 /nfs/dbraw/zinc/16/70/39/553167039.db2.gz XZJPYSLPDJCQKK-ABAIWWIYSA-N 1 0 378.826 2.966 20 0 GFADRO CCc1ccc([C@@H]2C[NH2+]CCN2C(=O)c2c[nH]c(=O)c(Br)c2)cc1 ZINC000262256376 553168166 /nfs/dbraw/zinc/16/81/66/553168166.db2.gz QOIXWEAZFDUTGT-INIZCTEOSA-N 1 0 390.281 2.899 20 0 GFADRO [NH3+][C@H]1CCC[C@H](C(=O)N2CCN(C(=O)c3cc4sccc4s3)CC2)C1 ZINC000262311536 553168459 /nfs/dbraw/zinc/16/84/59/553168459.db2.gz SRJIKAGHFLIPSH-STQMWFEESA-N 1 0 377.535 2.765 20 0 GFADRO C[C@H]1C[C@@H](C(=O)NC2(c3ccc(Br)cc3)CCOCC2)CC[NH2+]1 ZINC000262327791 553169235 /nfs/dbraw/zinc/16/92/35/553169235.db2.gz DRRFKVZOAQNALZ-KBPBESRZSA-N 1 0 381.314 2.959 20 0 GFADRO O=S(=O)(c1ccc(OC(F)F)c(F)c1)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000262352507 553169990 /nfs/dbraw/zinc/16/99/90/553169990.db2.gz UPIFMKSQYYVXJQ-CQSZACIVSA-N 1 0 378.416 2.580 20 0 GFADRO CC[NH2+][C@H](C)CNC(=O)c1cnn(-c2ncccc2Cl)c1C(F)(F)F ZINC000262462609 553171525 /nfs/dbraw/zinc/17/15/25/553171525.db2.gz MWMICTLKFWUTOC-SECBINFHSA-N 1 0 375.782 2.667 20 0 GFADRO C[C@@H](C[NH3+])C(=O)N[C@@H](c1ccc(Cl)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000262527603 553171769 /nfs/dbraw/zinc/17/17/69/553171769.db2.gz LOLSHZROJBEMGY-SJCJKPOMSA-N 1 0 380.897 2.544 20 0 GFADRO CN(CC(C)(C)C[NH3+])C(=O)c1nn(-c2ccc(F)cc2)cc1Br ZINC000262597715 553172951 /nfs/dbraw/zinc/17/29/51/553172951.db2.gz ZIEXEAFIKBYQBN-UHFFFAOYSA-N 1 0 383.265 2.831 20 0 GFADRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)c1ccc(Cl)c(I)c1 ZINC000262709078 553173937 /nfs/dbraw/zinc/17/39/37/553173937.db2.gz CCZLNJBJRHYPLT-UFBFGSQYSA-N 1 0 378.641 2.672 20 0 GFADRO Cc1c(C(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)cnn1-c1cccc(Br)c1 ZINC000262726610 553174487 /nfs/dbraw/zinc/17/44/87/553174487.db2.gz HKUFPDFLXWMNIT-MEDUHNTESA-N 1 0 377.286 2.671 20 0 GFADRO C[C@H]1[NH2+]CCN(C(=O)c2nn(-c3ccc(F)cc3)cc2Br)[C@@H]1C ZINC000262757312 553175067 /nfs/dbraw/zinc/17/50/67/553175067.db2.gz HTAKAKJWJJGGPI-GHMZBOCLSA-N 1 0 381.249 2.596 20 0 GFADRO Cc1c(C(=O)N[C@@H]2CC[NH2+][C@@H](C)C2)cnn1-c1ccc(Br)cc1 ZINC000262827918 553176804 /nfs/dbraw/zinc/17/68/04/553176804.db2.gz HMDYKOHDLNILLV-SMDDNHRTSA-N 1 0 377.286 2.814 20 0 GFADRO C[C@@H]1[NH2+]CCN(C(=O)CCC[S@@](=O)c2ccc(Br)cc2)[C@H]1C ZINC000262827680 553176887 /nfs/dbraw/zinc/17/68/87/553176887.db2.gz UIVDKEGVTZLLMC-UTWWPYJBSA-N 1 0 387.343 2.546 20 0 GFADRO CCc1c(C(=O)N[C@H]2CC[NH2+]C[C@@H]2C)cnn1-c1ccc(Br)cc1 ZINC000262907054 553178106 /nfs/dbraw/zinc/17/81/06/553178106.db2.gz YFQSLDIGXFVVHU-LRDDRELGSA-N 1 0 391.313 2.925 20 0 GFADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)c1cc(Cl)sc1Cl ZINC000263675144 553190721 /nfs/dbraw/zinc/19/07/21/553190721.db2.gz JPKJFNKVTDKIMT-NSHDSACASA-N 1 0 378.325 2.727 20 0 GFADRO CC(C)OC[C@H](O)C[NH+]1CCC(C(=O)Nc2cccc(Br)c2)CC1 ZINC000263695286 553191583 /nfs/dbraw/zinc/19/15/83/553191583.db2.gz PUDKXOKYNHCJBX-QGZVFWFLSA-N 1 0 399.329 2.886 20 0 GFADRO C[C@@H](CNC(=O)CSCc1ccc(Cl)cc1Cl)N1CC[NH+](C)CC1 ZINC000263816153 553193981 /nfs/dbraw/zinc/19/39/81/553193981.db2.gz YESDLMGUCNHYPB-ZDUSSCGKSA-N 1 0 390.380 2.979 20 0 GFADRO CN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)CC[N@H+](C)CC(C)(C)C)c1 ZINC000263800161 553194087 /nfs/dbraw/zinc/19/40/87/553194087.db2.gz QAGZQXHTCWNPGR-UHFFFAOYSA-N 1 0 389.949 2.897 20 0 GFADRO CC1(C)[NH2+]CC[C@@H]1NC(=O)c1ccc(Cl)c(I)c1 ZINC000449748479 564199408 /nfs/dbraw/zinc/19/94/08/564199408.db2.gz BKPQNGIQHAFPPJ-NSHDSACASA-N 1 0 378.641 2.815 20 0 GFADRO CCC[N@H+](CC)C[C@H](C)NS(=O)(=O)Cc1cccc(Br)c1 ZINC000564498402 564235977 /nfs/dbraw/zinc/23/59/77/564235977.db2.gz UKRAVIBPYLTRQU-ZDUSSCGKSA-N 1 0 377.348 2.989 20 0 GFADRO CCS(=O)(=O)N1CC(C[NH2+][C@@H](C)c2cc(C)c(Br)s2)C1 ZINC000511992698 564388699 /nfs/dbraw/zinc/38/86/99/564388699.db2.gz VIEAGOMTGSAABV-JTQLQIEISA-N 1 0 381.361 2.751 20 0 GFADRO O=C(NCc1ccc(I)c(Cl)c1)[C@H]1C[C@]12CC[NH2+]C2 ZINC000567825388 564390493 /nfs/dbraw/zinc/39/04/93/564390493.db2.gz NBMGXCICZUVHNQ-YGRLFVJLSA-N 1 0 390.652 2.560 20 0 GFADRO [NH3+]CCC1CCN(C(=O)C(=O)Nc2cccc(Br)c2Cl)CC1 ZINC000568404439 564417456 /nfs/dbraw/zinc/41/74/56/564417456.db2.gz RYJTYUPXJVFBDZ-UHFFFAOYSA-N 1 0 388.693 2.628 20 0 GFADRO Cc1cc(Br)ccc1C[NH2+][C@@H]1CCCN(S(=O)(=O)C2CC2)C1 ZINC000513117215 564421124 /nfs/dbraw/zinc/42/11/24/564421124.db2.gz QJINUSPOKDCIJK-OAHLLOKOSA-N 1 0 387.343 2.804 20 0 GFADRO COc1ccc(Br)cc1CN(C)C(=O)C[N@H+](C)[C@@H]1CCSC1 ZINC000479023763 564422447 /nfs/dbraw/zinc/42/24/47/564422447.db2.gz SKHPAXCXOFDOEE-CQSZACIVSA-N 1 0 387.343 2.853 20 0 GFADRO CSC1(C[NH2+]C[C@@H](O)COc2cccc(Br)c2)CCOCC1 ZINC000569352657 564460009 /nfs/dbraw/zinc/46/00/09/564460009.db2.gz YVDNTQMCLISBJI-CQSZACIVSA-N 1 0 390.343 2.691 20 0 GFADRO CCN(C(=O)c1cccc(F)c1I)[C@H]1CC[N@H+](C)C1 ZINC000597946638 565583726 /nfs/dbraw/zinc/58/37/26/565583726.db2.gz RADMDLZJPHTVHM-JTQLQIEISA-N 1 0 376.213 2.597 20 0 GFADRO C[C@H]1[C@@H]([NH3+])CCN1S(=O)(=O)c1ccc(Br)c(Cl)c1Cl ZINC000420428847 563263869 /nfs/dbraw/zinc/26/38/69/563263869.db2.gz LPRKFKFCDGJDLU-XPUUQOCRSA-N 1 0 388.114 2.866 20 0 GFADRO Cc1cc(F)c(Br)cc1S(=O)(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000420483802 563265900 /nfs/dbraw/zinc/26/59/00/563265900.db2.gz WVHZAHZYROXCQY-ONGXEEELSA-N 1 0 379.295 2.502 20 0 GFADRO C[C@@H]1CCN(S(=O)(=O)c2c(Cl)cccc2Br)[C@H](C[NH3+])C1 ZINC000312845666 563437048 /nfs/dbraw/zinc/43/70/48/563437048.db2.gz LILNEDHCPLJLJO-ZJUUUORDSA-N 1 0 381.723 2.850 20 0 GFADRO C[NH+](C)[C@H]1CCCN(S(=O)(=O)c2c(Cl)cccc2Br)C1 ZINC000383374369 563517243 /nfs/dbraw/zinc/51/72/43/563517243.db2.gz PPXIXOYOYVZLRG-JTQLQIEISA-N 1 0 381.723 2.817 20 0 GFADRO C[NH+](C)[C@@H]1[C@H]2CN(C(=O)c3cc(Cl)ccc3I)C[C@H]21 ZINC000384973362 563518162 /nfs/dbraw/zinc/51/81/62/563518162.db2.gz TYEZYHRSEAHLHL-PJXYFTJBSA-N 1 0 390.652 2.577 20 0 GFADRO O=C1C[C@]2(CC[N@@H+](Cc3ccc(OC(F)F)c(Br)c3)C2)CN1 ZINC000369392878 563213376 /nfs/dbraw/zinc/21/33/76/563213376.db2.gz UXBSFJZRPPHYSY-OAHLLOKOSA-N 1 0 375.213 2.763 20 0 GFADRO C[C@H]1[NH2+]CCN(C(=O)NCCc2c[nH]c3cccc(Br)c23)[C@H]1C ZINC000418200944 563213396 /nfs/dbraw/zinc/21/33/96/563213396.db2.gz QYIMKVFUXXGYPX-NEPJUHHUSA-N 1 0 379.302 2.865 20 0 GFADRO [NH3+]CC[C@H](NC(=O)NCCC(=O)Nc1cc(Cl)cc(Cl)c1)C(F)F ZINC000418223197 563214037 /nfs/dbraw/zinc/21/40/37/563214037.db2.gz XHMGMYORLYLXAQ-NSHDSACASA-N 1 0 383.226 2.604 20 0 GFADRO C[NH2+]C[C@@H](C)CNC(=O)N1CCC[C@H]1C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000418398221 563216960 /nfs/dbraw/zinc/21/69/60/563216960.db2.gz VZKZDKAEVBKMIH-ABAIWWIYSA-N 1 0 387.311 2.961 20 0 GFADRO CC(C)([NH3+])CNC(=O)N1CCC(C(=O)Nc2ccccc2Br)CC1 ZINC000418414489 563217135 /nfs/dbraw/zinc/21/71/35/563217135.db2.gz LUDXRNGUXWGXII-UHFFFAOYSA-N 1 0 397.317 2.547 20 0 GFADRO O=C(Cc1sccc1Br)N1CC[NH+](CC2CCOCC2)CC1 ZINC000294804440 563217727 /nfs/dbraw/zinc/21/77/27/563217727.db2.gz CFJUXBFONYLHSI-UHFFFAOYSA-N 1 0 387.343 2.624 20 0 GFADRO CC(C)C[C@@H](C[NH3+])NC(=O)N1CCN(c2cccc(Br)c2)CC1 ZINC000418448173 563217980 /nfs/dbraw/zinc/21/79/80/563217980.db2.gz RKPQFSJGDVLIIR-HNNXBMFYSA-N 1 0 383.334 2.654 20 0 GFADRO C[C@@H]1C[N@H+](CCCNC(=O)C(=O)Nc2cc(Cl)ccc2Cl)CCCO1 ZINC000277637418 563218268 /nfs/dbraw/zinc/21/82/68/563218268.db2.gz CKAFGQDCUJRTOP-GFCCVEGCSA-N 1 0 388.295 2.549 20 0 GFADRO O=C(c1ccn([C@@H]2CCC[NH2+]C2)n1)N1CCO[C@H](c2ccc(Cl)s2)C1 ZINC000369580218 563218295 /nfs/dbraw/zinc/21/82/95/563218295.db2.gz YBVYUIIJZSLAOY-OCCSQVGLSA-N 1 0 380.901 2.736 20 0 GFADRO CC(C)[C@@H](CNC(=O)c1cccc(F)c1Br)[NH+]1CCN(C)CC1 ZINC000294843595 563218398 /nfs/dbraw/zinc/21/83/98/563218398.db2.gz RYIJNWYKGQZTLJ-OAHLLOKOSA-N 1 0 386.309 2.590 20 0 GFADRO [NH3+][C@@H](CNC(=O)N(Cc1cccc(Br)c1)C1CCOCC1)C1CC1 ZINC000418501291 563218419 /nfs/dbraw/zinc/21/84/19/563218419.db2.gz QVUZULLHXLUEII-KRWDZBQOSA-N 1 0 396.329 2.877 20 0 GFADRO C[C@@H](C[NH3+])CNC(=O)N1CCN(c2ccc(C(F)(F)F)cc2Cl)CC1 ZINC000418496022 563218693 /nfs/dbraw/zinc/21/86/93/563218693.db2.gz UYXTZKODXJTSQT-NSHDSACASA-N 1 0 378.826 2.785 20 0 GFADRO Cc1ccc(CN(C[C@@H]2CCCO2)C(=O)N[C@H](C)C[NH3+])c(Br)c1 ZINC000418521763 563219139 /nfs/dbraw/zinc/21/91/39/563219139.db2.gz JAVGQQMFHQRDMM-HIFRSBDPSA-N 1 0 384.318 2.795 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)N[C@@H](CO)c2ccc(Cl)cc2C(F)(F)F)CC[NH2+]1 ZINC000418611687 563221643 /nfs/dbraw/zinc/22/16/43/563221643.db2.gz VHQSCIDOXCRELT-PUYPPJJSSA-N 1 0 379.810 2.832 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)N2CCO[C@H](c3cccc(Br)c3)C2)CC[NH2+]1 ZINC000418609695 563221713 /nfs/dbraw/zinc/22/17/13/563221713.db2.gz SOAYQLYQVFTXMJ-WQVCFCJDSA-N 1 0 382.302 2.673 20 0 GFADRO C[C@@H]([NH3+])[C@H](C)NC(=O)N1CCC(C(=O)Nc2ccccc2Br)CC1 ZINC000418712942 563222845 /nfs/dbraw/zinc/22/28/45/563222845.db2.gz XOJSTFYDEKTMRS-NEPJUHHUSA-N 1 0 397.317 2.545 20 0 GFADRO C[C@@H]([NH3+])[C@H](C)NC(=O)N1CCC(C(=O)Nc2cccc(Br)c2)CC1 ZINC000418694545 563222992 /nfs/dbraw/zinc/22/29/92/563222992.db2.gz IBGLXGSKSXSENQ-NEPJUHHUSA-N 1 0 397.317 2.545 20 0 GFADRO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N[C@H](c1cccs1)c1ccc(Cl)cc1 ZINC000418753571 563224116 /nfs/dbraw/zinc/22/41/16/563224116.db2.gz AWWZWLPSZFUTMZ-HOCLYGCPSA-N 1 0 379.913 2.707 20 0 GFADRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)N2CCO[C@H](c3ccc(Br)cc3)C2)C1 ZINC000418756656 563224529 /nfs/dbraw/zinc/22/45/29/563224529.db2.gz AIBGPQRQCDKGAG-WQVCFCJDSA-N 1 0 382.302 2.659 20 0 GFADRO O=C(NCCC[C@H]1CCC[NH2+]1)N(CCO)Cc1cc(Br)cs1 ZINC000418767518 563225189 /nfs/dbraw/zinc/22/51/89/563225189.db2.gz LPEAVGUDADVLAZ-CYBMUJFWSA-N 1 0 390.347 2.547 20 0 GFADRO CC[C@@H]([NH2+]CCc1nccnc1C)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000295047106 563226855 /nfs/dbraw/zinc/22/68/55/563226855.db2.gz PXNOEOWFBDDDKW-OAHLLOKOSA-N 1 0 382.917 2.630 20 0 GFADRO C[C@H](NC(=O)C(=O)N1CC[C@H]([NH3+])[C@@H](C)C1)c1cc(F)c(Cl)cc1Cl ZINC000418833389 563227140 /nfs/dbraw/zinc/22/71/40/563227140.db2.gz IIIKRWCFJZAZSW-FZNYLWTLSA-N 1 0 376.259 2.505 20 0 GFADRO C[C@@H]([NH2+][C@@H]1CCN(CCN2CCOCC2)C1)c1cccc(Br)c1 ZINC000369883058 563227476 /nfs/dbraw/zinc/22/74/76/563227476.db2.gz PESFAYKNGBPVJQ-CRAIPNDOSA-N 1 0 382.346 2.506 20 0 GFADRO C[C@H](NC(=O)C(=O)N(C)C1CC[NH2+]CC1)c1cc(F)c(Cl)cc1Cl ZINC000418857620 563227717 /nfs/dbraw/zinc/22/77/17/563227717.db2.gz ZMFFFXIRGBCTIT-VIFPVBQESA-N 1 0 376.259 2.520 20 0 GFADRO COC[C@]1(C(=O)OC)CCN([C@@H](C)C(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000295073842 563228228 /nfs/dbraw/zinc/22/82/28/563228228.db2.gz CULLLHYUDYALPM-GTNSWQLSSA-N 1 0 389.279 2.832 20 0 GFADRO C[C@H]([NH2+]C[C@H]1CCC[C@]12NC(=O)N(C)C2=O)c1ccc(Br)cc1 ZINC000370024214 563230879 /nfs/dbraw/zinc/23/08/79/563230879.db2.gz BBJWCNCIKKFAGO-PPHDSNJXSA-N 1 0 380.286 2.820 20 0 GFADRO C[C@@H](NC(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1)c1cc(Cl)ccc1Cl ZINC000418954002 563231775 /nfs/dbraw/zinc/23/17/75/563231775.db2.gz MXDZRTXDGNLDNL-KTMIJUKYSA-N 1 0 384.307 2.756 20 0 GFADRO C[C@H](NC(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1)c1cc(Cl)ccc1Cl ZINC000418953999 563231859 /nfs/dbraw/zinc/23/18/59/563231859.db2.gz MXDZRTXDGNLDNL-FNNPODNZSA-N 1 0 384.307 2.756 20 0 GFADRO C[C@@H](NC(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1)c1cc(Cl)ccc1Cl ZINC000418954003 563231871 /nfs/dbraw/zinc/23/18/71/563231871.db2.gz MXDZRTXDGNLDNL-PSHZPRKYSA-N 1 0 384.307 2.756 20 0 GFADRO C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCc3c2ccc(Cl)c3Cl)C[C@@H]1C[NH3+] ZINC000419105791 563233987 /nfs/dbraw/zinc/23/39/87/563233987.db2.gz VEWRDOVXNQANMW-JRPNMDOOSA-N 1 0 384.307 2.540 20 0 GFADRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)N[C@H](c1ccsc1)c1ccc(Cl)cc1 ZINC000419124833 563233998 /nfs/dbraw/zinc/23/39/98/563233998.db2.gz JACCPJGKBUDOBC-WBMJQRKESA-N 1 0 379.913 2.579 20 0 GFADRO CC(C)([NH3+])CNC(=O)C(=O)NCC1(c2ccc(Cl)cc2Cl)CCCC1 ZINC000419151188 563234375 /nfs/dbraw/zinc/23/43/75/563234375.db2.gz MDSAQBOOKXIHDU-UHFFFAOYSA-N 1 0 386.323 2.775 20 0 GFADRO O=C(C1CC[NH+](Cc2ccc(Cl)s2)CC1)N1CC(=O)N(CC2CC2)C1 ZINC000370141655 563235009 /nfs/dbraw/zinc/23/50/09/563235009.db2.gz UTAPFZDAGHNTMK-UHFFFAOYSA-N 1 0 381.929 2.652 20 0 GFADRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N[C@@H](C)Cc1ccc(Cl)cc1Cl ZINC000419279060 563235950 /nfs/dbraw/zinc/23/59/50/563235950.db2.gz IMYAELITUXDYTN-LRDDRELGSA-N 1 0 388.339 2.872 20 0 GFADRO COc1cc(C(F)(F)F)cc(S(=O)(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000295224350 563236890 /nfs/dbraw/zinc/23/68/90/563236890.db2.gz NOKLHMUCEZHIJO-YPMHNXCESA-N 1 0 380.432 2.817 20 0 GFADRO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1Cc1cc(Br)cc2cccnc21 ZINC000419324673 563237177 /nfs/dbraw/zinc/23/71/77/563237177.db2.gz KFHBWMYJYFPUMF-ZIAGYGMSSA-N 1 0 378.314 2.884 20 0 GFADRO C[C@H](NC(=O)N1C[C@@H](C)[N@H+](CCO)C[C@H]1C)c1ccc(Br)cc1 ZINC000419399293 563239246 /nfs/dbraw/zinc/23/92/46/563239246.db2.gz IPSLUTBVTVSEFO-MCIONIFRSA-N 1 0 384.318 2.607 20 0 GFADRO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)NCc1nc2cc(Cl)ccc2s1 ZINC000419448127 563240223 /nfs/dbraw/zinc/24/02/23/563240223.db2.gz XBYCNOSYEPMVNU-RYUDHWBXSA-N 1 0 382.917 2.546 20 0 GFADRO C[C@@H](NC(=O)C(=O)NC[C@@H](C)c1c(Cl)cccc1Cl)[C@H]1CCC[NH2+]C1 ZINC000419516410 563240933 /nfs/dbraw/zinc/24/09/33/563240933.db2.gz KSLPVBPXFJICBM-UPJWGTAASA-N 1 0 386.323 2.717 20 0 GFADRO C[C@H](CNC(=O)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)c1c(Cl)cccc1Cl ZINC000419510509 563241029 /nfs/dbraw/zinc/24/10/29/563241029.db2.gz BMVAAOPAHCFWES-UPJWGTAASA-N 1 0 384.307 2.566 20 0 GFADRO C[C@@H](NC(=O)C(=O)NC[C@@H](C)c1c(Cl)cccc1Cl)[C@@H]1CCC[NH2+]C1 ZINC000419516409 563241227 /nfs/dbraw/zinc/24/12/27/563241227.db2.gz KSLPVBPXFJICBM-JHJVBQTASA-N 1 0 386.323 2.717 20 0 GFADRO C[C@H](C(=O)Nc1cccc(Br)c1)[N@@H+]1CC[C@]2(C1)CCCN(C)C2=O ZINC000370404769 563242834 /nfs/dbraw/zinc/24/28/34/563242834.db2.gz IVJZZTJRMGPIMW-ACJLOTCBSA-N 1 0 394.313 2.720 20 0 GFADRO CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)c3ccc(Br)s3)C2)CC1 ZINC000370425438 563243489 /nfs/dbraw/zinc/24/34/89/563243489.db2.gz SPEMFXATQJNKCD-CYBMUJFWSA-N 1 0 386.359 2.751 20 0 GFADRO CC1(C)CCC[NH2+][C@H]1CNC(=O)C(=O)NCc1cc(Cl)sc1Cl ZINC000419634007 563243837 /nfs/dbraw/zinc/24/38/37/563243837.db2.gz QIODQCBVSLUMDS-JTQLQIEISA-N 1 0 378.325 2.566 20 0 GFADRO CCC(CC)(CNC(=O)C(=O)N[C@H]1CC[NH2+]C1)c1ccc(Cl)c(Cl)c1 ZINC000419658858 563244561 /nfs/dbraw/zinc/24/45/61/563244561.db2.gz ZGBHOSWFPCPZNS-ZDUSSCGKSA-N 1 0 386.323 2.646 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+][C@H]2CCO[C@H](c3ccccc3)C2)cc1Cl ZINC000419683430 563245207 /nfs/dbraw/zinc/24/52/07/563245207.db2.gz KTFFSVVOASBSIH-RDJZCZTQSA-N 1 0 380.897 2.997 20 0 GFADRO O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)[C@H]1C[C@@H]1c1ccc(Br)cc1 ZINC000370487518 563245588 /nfs/dbraw/zinc/24/55/88/563245588.db2.gz LNJTVTSUHGNWNK-KURKYZTESA-N 1 0 393.325 2.922 20 0 GFADRO O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000370487517 563245770 /nfs/dbraw/zinc/24/57/70/563245770.db2.gz LNJTVTSUHGNWNK-FGTMMUONSA-N 1 0 393.325 2.922 20 0 GFADRO C[NH+](C)C[C@@H]1CN(C(=O)c2cncc(Br)c2)c2ccccc2O1 ZINC000370503110 563246371 /nfs/dbraw/zinc/24/63/71/563246371.db2.gz OLEZJSFTOSJHBU-CQSZACIVSA-N 1 0 376.254 2.814 20 0 GFADRO CC[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)N[C@@H]1CCC[C@H]1C[NH3+] ZINC000419754381 563249518 /nfs/dbraw/zinc/24/95/18/563249518.db2.gz OSNUBTIIALXRHL-JGGQBBKZSA-N 1 0 386.323 2.674 20 0 GFADRO CC[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)NC1CCC([NH3+])CC1 ZINC000419771105 563250164 /nfs/dbraw/zinc/25/01/64/563250164.db2.gz MCUGSLCGKXMITR-SHARSMKWSA-N 1 0 386.323 2.817 20 0 GFADRO CC[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)N1CCC([NH2+]C)CC1 ZINC000419782703 563250800 /nfs/dbraw/zinc/25/08/00/563250800.db2.gz UQWUCVRKOPUBTH-AWEZNQCLSA-N 1 0 386.323 2.641 20 0 GFADRO COCCO[C@H]1C[C@@H](CO)C[N@H+](CCOc2ccc(Cl)cc2Cl)C1 ZINC000278358200 563251582 /nfs/dbraw/zinc/25/15/82/563251582.db2.gz RDCGLLXYHUYXQR-HIFRSBDPSA-N 1 0 378.296 2.718 20 0 GFADRO C[C@H]1c2cc(Cl)cc(Cl)c2CCN1C(=O)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000419862875 563252650 /nfs/dbraw/zinc/25/26/50/563252650.db2.gz QYZDYVJWONHCAT-RYUDHWBXSA-N 1 0 384.307 2.555 20 0 GFADRO C[C@@H]1c2c(Cl)cc(Cl)cc2CCN1C(=O)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000419922221 563253034 /nfs/dbraw/zinc/25/30/34/563253034.db2.gz ZEYDYQUKHQSBNX-VXGBXAGGSA-N 1 0 384.307 2.555 20 0 GFADRO O=C(NC[C@@H]1CCC[C@H]1[NH+]1CCOCC1)c1cc(F)cc(Br)c1 ZINC000370777552 563254525 /nfs/dbraw/zinc/25/45/25/563254525.db2.gz ZFASFSXKUZKEOY-BLLLJJGKSA-N 1 0 385.277 2.819 20 0 GFADRO C[NH+](C)CC[C@@](C)(O)CNC(=O)C1(Cc2ccccc2Br)CC1 ZINC000419991076 563255358 /nfs/dbraw/zinc/25/53/58/563255358.db2.gz GLXXNYSGPVHFGD-QGZVFWFLSA-N 1 0 383.330 2.591 20 0 GFADRO Cc1cc([C@H]2CCCN2C(=O)C(=O)NC[C@H]([NH3+])C(C)C)ccc1Br ZINC000420015851 563256820 /nfs/dbraw/zinc/25/68/20/563256820.db2.gz MIYSOVMMOOTQJE-JKSUJKDBSA-N 1 0 396.329 2.521 20 0 GFADRO CCC([NH3+])(CC)CNC(=O)C(=O)N(Cc1cccc(Br)c1)C1CC1 ZINC000420083048 563258229 /nfs/dbraw/zinc/25/82/29/563258229.db2.gz RXERFTPVIHLMRJ-UHFFFAOYSA-N 1 0 396.329 2.574 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)N1CCC[C@H]([C@@H](O)C(F)(F)F)C1)c1ccsc1 ZINC000278492419 563258758 /nfs/dbraw/zinc/25/87/58/563258758.db2.gz YYRJNHNEZXVEKN-IACUBPJLSA-N 1 0 379.448 2.696 20 0 GFADRO C[C@H]1C[C@H](NC(=O)C(=O)N(Cc2ccc(Cl)c(Cl)c2)C2CC2)CC[NH2+]1 ZINC000420128883 563259025 /nfs/dbraw/zinc/25/90/25/563259025.db2.gz QEFCDYSPSNTKFZ-WCQYABFASA-N 1 0 384.307 2.741 20 0 GFADRO CC(C)(C)[C@H](C[NH3+])NCc1nnnn1-c1ccc(Cl)cc1C(F)(F)F ZINC000420359180 563263124 /nfs/dbraw/zinc/26/31/24/563263124.db2.gz JMLWEYGHJCUALJ-LBPRGKRZSA-N 1 0 376.814 2.798 20 0 GFADRO CN(Cc1ccccc1Br)C(=O)CN1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420411281 563263152 /nfs/dbraw/zinc/26/31/52/563263152.db2.gz YPJUDGUJVIQNCM-MAUKXSAKSA-N 1 0 394.357 2.872 20 0 GFADRO Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc1Br ZINC000420469929 563265099 /nfs/dbraw/zinc/26/50/99/563265099.db2.gz WEXPGLXVNVKPRQ-XJKSGUPXSA-N 1 0 387.343 2.910 20 0 GFADRO O=S(=O)(c1ccc(Br)c(F)c1)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420468271 563265166 /nfs/dbraw/zinc/26/51/66/563265166.db2.gz UCQJIPXTCIEONN-XHDPSFHLSA-N 1 0 391.306 2.741 20 0 GFADRO O=S(=O)(c1ccc(F)c(Br)c1)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420471644 563265194 /nfs/dbraw/zinc/26/51/94/563265194.db2.gz YICYMLDFZQFSAW-NHYWBVRUSA-N 1 0 391.306 2.741 20 0 GFADRO C[NH2+]CCCN(C)S(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000420469434 563265335 /nfs/dbraw/zinc/26/53/35/563265335.db2.gz JHZHSCPAKPYGIE-UHFFFAOYSA-N 1 0 378.338 2.954 20 0 GFADRO C[C@@H](CNS(=O)(=O)c1cc(Cl)ccc1OC(F)F)C[NH+]1CCCC1 ZINC000420656833 563269689 /nfs/dbraw/zinc/26/96/89/563269689.db2.gz FFMYVFPIWSLIFF-NSHDSACASA-N 1 0 382.860 2.952 20 0 GFADRO C[N@@H+]1CCC[C@@H](CCNC(=O)C(=O)NCCc2ccc(Cl)cc2Cl)C1 ZINC000420658557 563270404 /nfs/dbraw/zinc/27/04/04/563270404.db2.gz VBDMNKOMOOWCOL-ZDUSSCGKSA-N 1 0 386.323 2.500 20 0 GFADRO C[C@H](C[NH+]1CCC([C@]2(C)NC(=O)NC2=O)CC1)c1cccc(Br)c1 ZINC000371331317 563272900 /nfs/dbraw/zinc/27/29/00/563272900.db2.gz GQCHHHVPFCGSDV-XIKOKIGWSA-N 1 0 394.313 2.863 20 0 GFADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)c1cc(F)c(Cl)nc1Cl ZINC000278888082 563275498 /nfs/dbraw/zinc/27/54/98/563275498.db2.gz PYUXMIFRMGGQSC-SNVBAGLBSA-N 1 0 376.259 2.853 20 0 GFADRO COc1ccc(CNC(=O)N2CC[C@H]3CC[N@H+](C)[C@H]3C2)cc1Br ZINC000371508646 563279916 /nfs/dbraw/zinc/27/99/16/563279916.db2.gz LAWKWQZKMGNACO-HIFRSBDPSA-N 1 0 382.302 2.693 20 0 GFADRO COC[C@@H]([NH2+]CC(=O)Nc1ccc(OC(F)F)c(Cl)c1)[C@@H]1CCCO1 ZINC000279032818 563281312 /nfs/dbraw/zinc/28/13/12/563281312.db2.gz ICVBAZWKYAXKKQ-OCCSQVGLSA-N 1 0 378.803 2.664 20 0 GFADRO Cc1ccc(NC(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c(Br)c1 ZINC000371558323 563281395 /nfs/dbraw/zinc/28/13/95/563281395.db2.gz SPRGYWQUECJJLD-CVEARBPZSA-N 1 0 382.302 2.820 20 0 GFADRO Cc1nn(C)c(C[NH2+]C[C@H](c2cccs2)N2CCOCC2)c1Br ZINC000279054954 563281740 /nfs/dbraw/zinc/28/17/40/563281740.db2.gz DTXPSUDPCLVDLM-CYBMUJFWSA-N 1 0 399.358 2.716 20 0 GFADRO COc1ccc(Br)c(S(=O)(=O)NC2CCC([NH+](C)C)CC2)c1 ZINC000420740990 563281670 /nfs/dbraw/zinc/28/16/70/563281670.db2.gz HISGVBIHILCKAI-UHFFFAOYSA-N 1 0 391.331 2.609 20 0 GFADRO O=C(NCCc1nc2cc(Cl)ccc2s1)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000279080780 563283058 /nfs/dbraw/zinc/28/30/58/563283058.db2.gz VFEHUJVABIWPPK-SNVBAGLBSA-N 1 0 375.885 2.722 20 0 GFADRO O=C(CCc1cc(F)ccc1Br)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000371726910 563286119 /nfs/dbraw/zinc/28/61/19/563286119.db2.gz ITJYSDKEPVCVGR-GJZGRUSLSA-N 1 0 385.277 2.500 20 0 GFADRO C[NH+](C)[C@@H]1CCCN(S(=O)(=O)c2cnc(Cl)c(Br)c2)CC1 ZINC000296470646 563288595 /nfs/dbraw/zinc/28/85/95/563288595.db2.gz XUUYLSRYNKMUCX-SNVBAGLBSA-N 1 0 396.738 2.602 20 0 GFADRO CC(C)C[C@@H]([NH2+]C[C@@]1(O)CCS(=O)(=O)C1)c1cccc(Br)c1 ZINC000296502330 563290077 /nfs/dbraw/zinc/29/00/77/563290077.db2.gz PBVRENXQUOZNLJ-CVEARBPZSA-N 1 0 390.343 2.676 20 0 GFADRO CN(Cc1cc(Br)cs1)C(=O)C[N@@H+]1CC[C@@H](O)CC12CCC2 ZINC000420996054 563293057 /nfs/dbraw/zinc/29/30/57/563293057.db2.gz QBSISAXRLDWUEC-CYBMUJFWSA-N 1 0 387.343 2.848 20 0 GFADRO COC1([C@H](C)[NH2+]Cc2cc3c(cc2Br)OCCO3)CCOCC1 ZINC000421036261 563293976 /nfs/dbraw/zinc/29/39/76/563293976.db2.gz QAIKZADWARXGCN-LBPRGKRZSA-N 1 0 386.286 2.894 20 0 GFADRO O=C(Nc1ccc(Br)nc1)N1CCC[N@@H+](C2CCOCC2)CC1 ZINC000372045426 563294123 /nfs/dbraw/zinc/29/41/23/563294123.db2.gz FHGPCNCPJNIEFK-UHFFFAOYSA-N 1 0 383.290 2.563 20 0 GFADRO COC1([C@@H](C)[NH2+]C[C@H](O)COc2ccc(Cl)cc2Cl)CCOCC1 ZINC000421031897 563294183 /nfs/dbraw/zinc/29/41/83/563294183.db2.gz KQPIGPJZWPFDKZ-OCCSQVGLSA-N 1 0 378.296 2.907 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)C12CCC[NH+]1CCC2 ZINC000279413439 563295911 /nfs/dbraw/zinc/29/59/11/563295911.db2.gz KRFURVMGXLMMLG-UHFFFAOYSA-N 1 0 394.313 2.831 20 0 GFADRO C[N@@H+]1CC[C@H](CNC(=O)Nc2cc(F)c(F)cc2I)C1 ZINC000296665581 563296314 /nfs/dbraw/zinc/29/63/14/563296314.db2.gz AETXMVKPPSNRNC-MRVPVSSYSA-N 1 0 395.191 2.643 20 0 GFADRO COc1cc(Br)c(C(=O)NCC2(C)CC[NH+](C)CC2)cc1OC ZINC000296691742 563297130 /nfs/dbraw/zinc/29/71/30/563297130.db2.gz CYRYIJYBCCBTLY-UHFFFAOYSA-N 1 0 385.302 2.928 20 0 GFADRO COc1ccc([C@@H]2CCN(C(=O)C[C@@H]3CSCCS3)C[C@@H]2[NH3+])cc1F ZINC000296821438 563303052 /nfs/dbraw/zinc/30/30/52/563303052.db2.gz ANCXCLBICKVTMZ-YCPHGPKFSA-N 1 0 384.542 2.716 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)C[C@H]1CCC[NH2+]CC1 ZINC000372415170 563305577 /nfs/dbraw/zinc/30/55/77/563305577.db2.gz FQZNHZKGTPYKNO-ZDUSSCGKSA-N 1 0 382.302 2.592 20 0 GFADRO Cc1ccc(-c2csc(NC(=O)C(=O)N(C)C[C@@H]3CCC[N@@H+]3C)n2)s1 ZINC000421297233 563305954 /nfs/dbraw/zinc/30/59/54/563305954.db2.gz LBFKJKKDTIMNOG-LBPRGKRZSA-N 1 0 378.523 2.671 20 0 GFADRO CC[C@@H](C)[NH+]1CCN(C(=O)Nc2ccc(NS(C)(=O)=O)c(Cl)c2)CC1 ZINC000296982671 563310800 /nfs/dbraw/zinc/31/08/00/563310800.db2.gz TXHTVLUJXCPGOI-GFCCVEGCSA-N 1 0 388.921 2.660 20 0 GFADRO CS(=O)(=O)c1ccc(C(=O)NC[C@H]2CCCN2Cc2ccccc2)s1 ZINC000421472688 563312609 /nfs/dbraw/zinc/31/26/09/563312609.db2.gz OHJCQYFDDUEUGI-OAHLLOKOSA-N 1 0 378.519 2.546 20 0 GFADRO C[C@H](C(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)c1ccc(Br)s1 ZINC000372642811 563313202 /nfs/dbraw/zinc/31/32/02/563313202.db2.gz CWXLIUYWQQCSEJ-AVGNSLFASA-N 1 0 387.343 2.672 20 0 GFADRO Cc1ncc(C[N@@H+]2CC[C@@H](NC(=O)c3cn4ccnc4s3)[C@H](C)C2)s1 ZINC000372700814 563314400 /nfs/dbraw/zinc/31/44/00/563314400.db2.gz FZDDJYGSAOFANQ-BXUZGUMPSA-N 1 0 375.523 2.801 20 0 GFADRO COc1cc(Br)c(C[NH2+]C[C@H]2CCCN(C(C)=O)C2)cc1OC ZINC000279936420 563314997 /nfs/dbraw/zinc/31/49/97/563314997.db2.gz YLUBKGQHFPOVFD-CYBMUJFWSA-N 1 0 385.302 2.814 20 0 GFADRO Cc1ncsc1C(=O)NC1CC[NH+](CCOCC(F)(F)C(F)F)CC1 ZINC000372753004 563315959 /nfs/dbraw/zinc/31/59/59/563315959.db2.gz UDSOEPJTJYGQQN-UHFFFAOYSA-N 1 0 383.411 2.563 20 0 GFADRO CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H]3SCCc4sccc43)C2)CC1 ZINC000372743281 563316036 /nfs/dbraw/zinc/31/60/36/563316036.db2.gz VTAAEZOLDMIVEO-CRAIPNDOSA-N 1 0 379.595 2.705 20 0 GFADRO [NH3+][C@@H]1CCC[C@@]12CCN(C(=O)c1ccc(F)cc1I)C2 ZINC000372779443 563317377 /nfs/dbraw/zinc/31/73/77/563317377.db2.gz DXVCNIXLEJYLAU-HIFRSBDPSA-N 1 0 388.224 2.774 20 0 GFADRO Ic1ccc(NC2CC[NH+](C[C@@H]3CCOC3)CC2)nc1 ZINC000297185196 563319096 /nfs/dbraw/zinc/31/90/96/563319096.db2.gz QGIUOWZFEMFVET-LBPRGKRZSA-N 1 0 387.265 2.599 20 0 GFADRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)c1ccc(I)c(F)c1 ZINC000421702976 563319209 /nfs/dbraw/zinc/31/92/09/563319209.db2.gz LEIXHEIRVKHIJR-NSHDSACASA-N 1 0 376.213 2.597 20 0 GFADRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)c1cnn(-c2cccc(Br)c2)c1 ZINC000421702781 563319410 /nfs/dbraw/zinc/31/94/10/563319410.db2.gz KSKFIFKWCGRULE-MRXNPFEDSA-N 1 0 377.286 2.801 20 0 GFADRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)c1ncc(Br)cc1Br ZINC000421710493 563319424 /nfs/dbraw/zinc/31/94/24/563319424.db2.gz KXMZEMUHHAFNOO-JTQLQIEISA-N 1 0 391.107 2.773 20 0 GFADRO CCn1c(SCC(=O)N(C)C[C@@H]2CCC[N@@H+]2C)nnc1-c1cccs1 ZINC000421707415 563319521 /nfs/dbraw/zinc/31/95/21/563319521.db2.gz XIBPECVMBUMOJJ-ZDUSSCGKSA-N 1 0 379.555 2.671 20 0 GFADRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)c1cc(I)c(F)cc1F ZINC000421715569 563320259 /nfs/dbraw/zinc/32/02/59/563320259.db2.gz YFKPKEDGHQQZAX-SECBINFHSA-N 1 0 394.203 2.736 20 0 GFADRO CS(=O)(=O)c1ccc(C(=O)N2CCC(CCC[NH+]3CCCC3)CC2)s1 ZINC000421792776 563322048 /nfs/dbraw/zinc/32/20/48/563322048.db2.gz RANCIBGKTFJMJY-UHFFFAOYSA-N 1 0 384.567 2.880 20 0 GFADRO Cc1nc2ccc(Br)cn2c1C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000280094592 563322385 /nfs/dbraw/zinc/32/23/85/563322385.db2.gz KINLISPADABLQM-CQSZACIVSA-N 1 0 391.313 2.963 20 0 GFADRO CC[NH+](CC)[C@@H]1CCN(C(=O)c2c(C)nc3ccc(Br)cn32)C1 ZINC000280108190 563322444 /nfs/dbraw/zinc/32/24/44/563322444.db2.gz LCZQCHASNAHGDI-CQSZACIVSA-N 1 0 379.302 2.962 20 0 GFADRO C[C@H](Cc1ccc(F)cc1Cl)[NH2+]C[C@H](O)CS(=O)(=O)c1cccs1 ZINC000421839876 563322453 /nfs/dbraw/zinc/32/24/53/563322453.db2.gz YTTRVDJSBVFBHH-RISCZKNCSA-N 1 0 391.917 2.896 20 0 GFADRO C[C@@H]([NH2+]CCCC1(O)CCC1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000421851980 563323314 /nfs/dbraw/zinc/32/33/14/563323314.db2.gz GUSJPFDDPGJHNW-SNVBAGLBSA-N 1 0 381.325 2.987 20 0 GFADRO O=S1(=O)CC[C@@H]([NH2+]C2CCN(Cc3ccc(F)c(Cl)c3Cl)CC2)C1 ZINC000372986282 563324889 /nfs/dbraw/zinc/32/48/89/563324889.db2.gz VVDFQZZDBCTYKH-CYBMUJFWSA-N 1 0 395.327 2.874 20 0 GFADRO CN(C[C@@H](O)c1ccccc1Br)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000297386716 563325626 /nfs/dbraw/zinc/32/56/26/563325626.db2.gz KASHUDZJIKJMDA-QGZVFWFLSA-N 1 0 396.329 2.751 20 0 GFADRO CC[C@H](NC(=O)NC[C@H](c1ccc(SC)cc1)[NH+](C)C)[C@@H](O)C(F)F ZINC000297507774 563327974 /nfs/dbraw/zinc/32/79/74/563327974.db2.gz OTCILWCDWHJQRK-RRFJBIMHSA-N 1 0 375.485 2.715 20 0 GFADRO C[C@@H](CNC(=O)N(C)C[C@H](O)c1ccccc1Br)[N@H+](C)C1CC1 ZINC000297568585 563329678 /nfs/dbraw/zinc/32/96/78/563329678.db2.gz GYHLWRKRCIKIBH-LRDDRELGSA-N 1 0 384.318 2.607 20 0 GFADRO C[NH+]1CCN(CCCNC(=O)c2cc(F)c(Br)cc2Cl)CC1 ZINC000280288143 563330309 /nfs/dbraw/zinc/33/03/09/563330309.db2.gz OPGVOYWUBAZSJA-UHFFFAOYSA-N 1 0 392.700 2.609 20 0 GFADRO C[N@H+](CCCCNC(=O)C(=O)NCCc1cc(Cl)cc(Cl)c1)C1CC1 ZINC000422266308 563335036 /nfs/dbraw/zinc/33/50/36/563335036.db2.gz GWUHNRUOMUGHBM-UHFFFAOYSA-N 1 0 386.323 2.643 20 0 GFADRO CCCC[C@H](COC)[NH2+][C@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000280439547 563337368 /nfs/dbraw/zinc/33/73/68/563337368.db2.gz BYQMXUAQGGGJEZ-DGCLKSJQSA-N 1 0 393.347 2.952 20 0 GFADRO C[C@@H]([NH2+]C1CC(N2CCC(C(F)(F)F)CC2)C1)C1CCS(=O)(=O)CC1 ZINC000373481484 563339397 /nfs/dbraw/zinc/33/93/97/563339397.db2.gz DZCUJOOZGXDHMQ-UWTIGNOOSA-N 1 0 382.492 2.595 20 0 GFADRO CCS(=O)(=O)c1ccc(C[NH2+]C2CCN(C(=O)c3ccco3)CC2)s1 ZINC000373485625 563339934 /nfs/dbraw/zinc/33/99/34/563339934.db2.gz OGHYTSGKSJEFBA-UHFFFAOYSA-N 1 0 382.507 2.529 20 0 GFADRO Cc1cc(Br)c(S(=O)(=O)N2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)s1 ZINC000422551924 563342856 /nfs/dbraw/zinc/34/28/56/563342856.db2.gz GBYSEUVGFBGKLY-QXEWZRGKSA-N 1 0 381.361 2.813 20 0 GFADRO C[C@@H](NC(=O)NCCC[N@@H+]1CCCO[C@H](C)C1)c1ccc(Br)cn1 ZINC000280566205 563343897 /nfs/dbraw/zinc/34/38/97/563343897.db2.gz LHRHTSAZDDVOQZ-ZIAGYGMSSA-N 1 0 399.333 2.705 20 0 GFADRO CC(C)(CC[NH3+])NC(=O)NCc1cc(Br)ccc1OC(F)F ZINC000422597236 563344424 /nfs/dbraw/zinc/34/44/24/563344424.db2.gz JPFFMMCWYKVIRX-UHFFFAOYSA-N 1 0 380.233 2.977 20 0 GFADRO CCOC(=O)[C@H]1NCC[C@H]1[NH2+]CC1(c2ccc(Br)cc2)CCC1 ZINC000422742048 563349183 /nfs/dbraw/zinc/34/91/83/563349183.db2.gz QZCQBRYKXHMCNF-CVEARBPZSA-N 1 0 381.314 2.754 20 0 GFADRO CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)[C@@H]([NH3+])C1CCC1 ZINC000422924032 563350908 /nfs/dbraw/zinc/35/09/08/563350908.db2.gz AKEGNMQQHINODI-AWEZNQCLSA-N 1 0 377.794 2.883 20 0 GFADRO C[C@H]([NH3+])[C@H](Cc1ccccc1)NC[C@@H](O)COc1ccccc1Br ZINC000422947560 563351694 /nfs/dbraw/zinc/35/16/94/563351694.db2.gz YKVKZMSHXRZLSK-LESCRADOSA-N 1 0 393.325 2.737 20 0 GFADRO CCOc1cc(C[NH2+]Cc2cccc(S(=O)(=O)NC)c2)cc(Cl)c1O ZINC000298338247 563351692 /nfs/dbraw/zinc/35/16/92/563351692.db2.gz JFDAWFVHUKFMDP-UHFFFAOYSA-N 1 0 384.885 2.642 20 0 GFADRO [NH3+]CCCn1cc(C(=O)Nc2ncc(Cc3ccccc3Cl)s2)nn1 ZINC000422939460 563351913 /nfs/dbraw/zinc/35/19/13/563351913.db2.gz FRYSHLVWILYYTO-UHFFFAOYSA-N 1 0 376.873 2.580 20 0 GFADRO CC(C)N(Cc1cccc(Br)c1)C(=O)c1cn(CCCC[NH3+])nn1 ZINC000422990717 563352254 /nfs/dbraw/zinc/35/22/54/563352254.db2.gz OMUKUHVNHAPOIV-UHFFFAOYSA-N 1 0 394.317 2.830 20 0 GFADRO CN(Cc1c(Cl)cccc1Cl)C(=O)C(=O)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000298355285 563352595 /nfs/dbraw/zinc/35/25/95/563352595.db2.gz QZQUADFSOLJZGF-SFHVURJKSA-N 1 0 384.307 2.506 20 0 GFADRO C[C@H]([NH2+]CCCOCC1CC1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000280768471 563353337 /nfs/dbraw/zinc/35/33/37/563353337.db2.gz RGKTZIBCUQHMDB-NSHDSACASA-N 1 0 391.331 2.564 20 0 GFADRO C[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000423093093 563354519 /nfs/dbraw/zinc/35/45/19/563354519.db2.gz FTRHNTFXKLEQNH-CJNGLKHVSA-N 1 0 384.307 2.867 20 0 GFADRO C[C@@H](Nc1cnc(N2CCOCC2)c(Br)c1)c1c[nH+]ccc1N ZINC000423094241 563354948 /nfs/dbraw/zinc/35/49/48/563354948.db2.gz BJHGFVVSSVZPSR-LLVKDONJSA-N 1 0 378.274 2.661 20 0 GFADRO Cc1nn(CCS(C)(=O)=O)c(C)c1C[N@H+]1C[C@H](c2cccs2)C[C@H]1C ZINC000373900362 563355024 /nfs/dbraw/zinc/35/50/24/563355024.db2.gz QBMFOQOIXJQRPI-CZUORRHYSA-N 1 0 381.567 2.984 20 0 GFADRO Cc1cc(Br)cc(C)c1N1CCC[C@@H](N[C@@H](C)C2C[NH2+]C2)C1=O ZINC000423102941 563355244 /nfs/dbraw/zinc/35/52/44/563355244.db2.gz FQONFFRPIFLGSH-XJKSGUPXSA-N 1 0 380.330 2.759 20 0 GFADRO Cc1cc(Cl)ccc1S(=O)(=O)NCCN[C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000423099115 563355623 /nfs/dbraw/zinc/35/56/23/563355623.db2.gz AIUNPHUJYXJVMG-DLBZAZTESA-N 1 0 379.913 2.661 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)[C@H]1[NH2+]CCCC1(C)C ZINC000423127233 563355874 /nfs/dbraw/zinc/35/58/74/563355874.db2.gz PBZITQJXVFANOC-MRXNPFEDSA-N 1 0 396.329 2.981 20 0 GFADRO COc1cc(CNC(=O)[C@@H]2[NH2+]CCCC2(C)C)cc(Br)c1OC ZINC000423127058 563355942 /nfs/dbraw/zinc/35/59/42/563355942.db2.gz SSRHXOWWWBVSHW-HNNXBMFYSA-N 1 0 385.302 2.861 20 0 GFADRO CC1(C)C[N@@H+](C2(CNC(=O)CSc3nncs3)CCCCC2)CCO1 ZINC000373963453 563356776 /nfs/dbraw/zinc/35/67/76/563356776.db2.gz OCGAJIUFIBCBDQ-UHFFFAOYSA-N 1 0 384.571 2.560 20 0 GFADRO CC[C@@H](NC[C@@H](CO)Cc1cc(Br)ccc1OC)[C@@H]1CCC[NH2+]1 ZINC000423155459 563357007 /nfs/dbraw/zinc/35/70/07/563357007.db2.gz LCXRANFPOAQRIO-XKQJLSEDSA-N 1 0 385.346 2.729 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N(Cc2ccc(Cl)c(Cl)c2)C2CC2)C1 ZINC000423170502 563357668 /nfs/dbraw/zinc/35/76/68/563357668.db2.gz MFUCOPHFWKSSOM-WCQYABFASA-N 1 0 384.307 2.680 20 0 GFADRO COC[C@]1(C(=O)Nc2ccc(Sc3nncs3)c(Cl)c2)CC[NH2+]C1 ZINC000423158583 563357824 /nfs/dbraw/zinc/35/78/24/563357824.db2.gz OFXSCQXMAYPRKH-HNNXBMFYSA-N 1 0 384.914 2.907 20 0 GFADRO C[C@H]1CN(C(=O)C(=O)N(Cc2ccc(Cl)c(Cl)c2)C2CC2)CC[C@@H]1[NH3+] ZINC000423171064 563357923 /nfs/dbraw/zinc/35/79/23/563357923.db2.gz NILUMISTBBPBNH-ZBEGNZNMSA-N 1 0 384.307 2.680 20 0 GFADRO CC(C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)N1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000423169176 563357969 /nfs/dbraw/zinc/35/79/69/563357969.db2.gz VOWWLJPTLZUQKB-OCCSQVGLSA-N 1 0 386.323 2.926 20 0 GFADRO COC(=O)C1CC[NH+](CCCNC(=O)Cc2c(Cl)cccc2Cl)CC1 ZINC000298515883 563358301 /nfs/dbraw/zinc/35/83/01/563358301.db2.gz XRFPRUZVWXFTKU-UHFFFAOYSA-N 1 0 387.307 2.927 20 0 GFADRO C[C@H](N[C@@H](C)[C@H]1CCC[NH2+]C1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000423211933 563358729 /nfs/dbraw/zinc/35/87/29/563358729.db2.gz HXEGAGUOJFIDIW-DCAQKATOSA-N 1 0 380.341 2.680 20 0 GFADRO C[C@@H]([NH3+])c1ccc(C(=O)NC[C@@H](O)COc2ccccc2Br)cc1 ZINC000423238730 563359521 /nfs/dbraw/zinc/35/95/21/563359521.db2.gz ATWNNYJBADRURO-IUODEOHRSA-N 1 0 393.281 2.639 20 0 GFADRO C[C@H](NC(=O)CC1(C[NH3+])CC1)c1nc(-c2ccc(Br)cc2)no1 ZINC000423292133 563359750 /nfs/dbraw/zinc/35/97/50/563359750.db2.gz LNLDHSCDQCYHPD-JTQLQIEISA-N 1 0 379.258 2.805 20 0 GFADRO O=C(NCCC[NH+]1CCCC1)C(=O)Nc1cccc(C2SCCS2)c1 ZINC000298573152 563360497 /nfs/dbraw/zinc/36/04/97/563360497.db2.gz NJFVBCQQZGFCRF-UHFFFAOYSA-N 1 0 379.551 2.706 20 0 GFADRO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N2CCc3cc(Cl)cc(Cl)c3[C@@H]2C)C1 ZINC000423547377 563362138 /nfs/dbraw/zinc/36/21/38/563362138.db2.gz GBCCOWATCNVGMB-RYUDHWBXSA-N 1 0 384.307 2.507 20 0 GFADRO CC1(C)CCC[NH2+][C@@H]1C(=O)NCc1nc(-c2cccc(Br)c2)no1 ZINC000423924671 563364243 /nfs/dbraw/zinc/36/42/43/563364243.db2.gz DUUYXXOKMGISPL-CQSZACIVSA-N 1 0 393.285 2.894 20 0 GFADRO Cc1ccc(NC(=O)[C@H](C)[NH2+]C[C@@H]2CN(C3CC3)CCO2)c(Br)c1 ZINC000374222117 563365259 /nfs/dbraw/zinc/36/52/59/563365259.db2.gz HTRHFPGUXLJPQT-DZGCQCFKSA-N 1 0 396.329 2.537 20 0 GFADRO C[C@@H]1CN(C(=O)c2ncc(Br)cc2Br)C[C@@]1(C)C[NH3+] ZINC000423974170 563366290 /nfs/dbraw/zinc/36/62/90/563366290.db2.gz GQADWWGBIPOZLC-AMIZOPFISA-N 1 0 391.107 2.664 20 0 GFADRO COc1ccc(Br)cc1CC(=O)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000423976201 563366531 /nfs/dbraw/zinc/36/65/31/563366531.db2.gz ONJQPTYOUKEIBK-BBRMVZONSA-N 1 0 381.314 2.991 20 0 GFADRO C[C@H]1CCN(C(=O)c2ncc(Br)cc2Br)C[C@@H]1C[NH3+] ZINC000423995231 563366607 /nfs/dbraw/zinc/36/66/07/563366607.db2.gz JESMBTARXGECNF-IUCAKERBSA-N 1 0 391.107 2.664 20 0 GFADRO C[C@H]1CN(C(=O)c2csc(Br)c2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000374288497 563367439 /nfs/dbraw/zinc/36/74/39/563367439.db2.gz PWWDFDCFTVJMAA-GXTWGEPZSA-N 1 0 386.359 2.609 20 0 GFADRO CC(C)(CC[NH3+])NC(=O)C1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000424046260 563367952 /nfs/dbraw/zinc/36/79/52/563367952.db2.gz KKTUKLGNKVCRHO-UHFFFAOYSA-N 1 0 396.329 2.545 20 0 GFADRO C[C@H]1CN(C(=O)c2ccc(Br)c(F)c2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000374319471 563368273 /nfs/dbraw/zinc/36/82/73/563368273.db2.gz YTOFVFYVQXAJAH-GUYCJALGSA-N 1 0 398.320 2.686 20 0 GFADRO O=C(c1ncc(Br)cc1Br)N1CCC2(CC[NH2+]2)CC1 ZINC000424053098 563368600 /nfs/dbraw/zinc/36/86/00/563368600.db2.gz NUUAYBJAWFUMPB-UHFFFAOYSA-N 1 0 389.091 2.575 20 0 GFADRO CC(C)c1n[nH]c(C(=O)N2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)c1Br ZINC000374410583 563371034 /nfs/dbraw/zinc/37/10/34/563371034.db2.gz HYLRLJKNCRFGRO-JHJVBQTASA-N 1 0 399.333 2.619 20 0 GFADRO CS(=O)(=O)CCCC[NH2+]Cc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000424171956 563372170 /nfs/dbraw/zinc/37/21/70/563372170.db2.gz MWIHTPWZOQNPHJ-UHFFFAOYSA-N 1 0 386.315 2.754 20 0 GFADRO C[C@H](CNC(=O)c1ccc(SC(F)(F)F)cc1)C[NH+]1CCN(C)CC1 ZINC000299041040 563374149 /nfs/dbraw/zinc/37/41/49/563374149.db2.gz QWLJOVNSBDWLHI-CYBMUJFWSA-N 1 0 375.460 2.912 20 0 GFADRO COc1cc([C@H](C)[NH2+][C@H]2CCO[C@@H]2C2CC2)ccc1S(=O)(=O)C(F)F ZINC000374498774 563374369 /nfs/dbraw/zinc/37/43/69/563374369.db2.gz WNFNQKBFGLSXKI-YNZJMPHRSA-N 1 0 375.437 2.910 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000424218339 563374874 /nfs/dbraw/zinc/37/48/74/563374874.db2.gz SMSRNEBHZGGWTM-HZPDHXFCSA-N 1 0 377.286 2.943 20 0 GFADRO CO[C@H]1C[C@H]2C[C@H]([NH2+]C[C@@H](O)COc3ccccc3Br)C[C@H]2C1 ZINC000424305861 563375737 /nfs/dbraw/zinc/37/57/37/563375737.db2.gz TYHDSNOUVFXVQP-CWVYHPPDSA-N 1 0 384.314 2.982 20 0 GFADRO CN(C)S(=O)(=O)c1cc(-c2nc(C3([NH3+])CCCCC3)no2)ccc1Cl ZINC000424348751 563375897 /nfs/dbraw/zinc/37/58/97/563375897.db2.gz UHZVNHSZCCINSN-UHFFFAOYSA-N 1 0 384.889 2.758 20 0 GFADRO C[C@H](C[C@@H]1COCCN1)[NH2+]Cc1cc(Cl)cc(I)c1 ZINC000424375550 563377119 /nfs/dbraw/zinc/37/71/19/563377119.db2.gz KJFPFWNHOPFMSC-QMTHXVAHSA-N 1 0 394.684 2.801 20 0 GFADRO Cc1cc(Br)c(S(=O)(=O)N2CC3(C[C@@H]2C)CC[NH2+]CC3)s1 ZINC000424389353 563377743 /nfs/dbraw/zinc/37/77/43/563377743.db2.gz HYTAYWDXZZJVHI-JTQLQIEISA-N 1 0 393.372 2.972 20 0 GFADRO [NH3+][C@@H]1CCCC[C@H]1NC(=O)Nc1cc(F)c(F)cc1I ZINC000424420121 563378545 /nfs/dbraw/zinc/37/85/45/563378545.db2.gz UPXVBWBNANJDOV-GHMZBOCLSA-N 1 0 395.191 2.961 20 0 GFADRO COC(=O)c1cc(F)c(Br)cc1NC(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000424421578 563379002 /nfs/dbraw/zinc/37/90/02/563379002.db2.gz YRQXETJZRQPQJX-VXGBXAGGSA-N 1 0 388.237 2.766 20 0 GFADRO [NH3+][C@@H]1CCCC[C@H]1NC(=O)NCc1cnn(-c2ccc(Br)cc2)c1 ZINC000424474110 563380322 /nfs/dbraw/zinc/38/03/22/563380322.db2.gz HXXOZBYCMLMPDT-HZPDHXFCSA-N 1 0 392.301 2.704 20 0 GFADRO Cn1c(Cl)cnc1C[NH2+]C[C@H](CO)Cc1ccc(OC(F)(F)F)cc1 ZINC000281665280 563382390 /nfs/dbraw/zinc/38/23/90/563382390.db2.gz LCDAWPCMTXFGCO-GFCCVEGCSA-N 1 0 377.794 2.913 20 0 GFADRO C[C@@H]1CCC[N@H+](CCNC(=O)Cc2noc3ccc(Br)cc32)C1 ZINC000424589605 563382537 /nfs/dbraw/zinc/38/25/37/563382537.db2.gz KCSUNUUUIBPGNM-GFCCVEGCSA-N 1 0 380.286 2.981 20 0 GFADRO NC(=O)c1ccsc1NC(=O)CC[N@@H+]1CCSC[C@@H]1c1ccccc1 ZINC000299441990 563383606 /nfs/dbraw/zinc/38/36/06/563383606.db2.gz YIUCBTIHSCYNQI-OAHLLOKOSA-N 1 0 375.519 2.966 20 0 GFADRO CCN1CC[C@H]([NH2+]CC(=O)NCC(F)(F)F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000374826199 563383771 /nfs/dbraw/zinc/38/37/71/563383771.db2.gz FHOLVDGLMUAJJD-ZFWWWQNUSA-N 1 0 381.801 2.883 20 0 GFADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)c1c(C)ccc(Br)c1OC ZINC000424646903 563385353 /nfs/dbraw/zinc/38/53/53/563385353.db2.gz PXFZSJUQWCKQNU-ZDUSSCGKSA-N 1 0 385.302 2.607 20 0 GFADRO O=S(=O)(NC[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(Cl)cc1Br ZINC000281734550 563385526 /nfs/dbraw/zinc/38/55/26/563385526.db2.gz DDDSMCDRQRYQHH-JTQLQIEISA-N 1 0 393.734 2.865 20 0 GFADRO CCN1CC[NH+](C[C@H](C)CNC(=O)c2cc(Br)c(C)s2)CC1 ZINC000424655455 563385480 /nfs/dbraw/zinc/38/54/80/563385480.db2.gz KEQKBDPFRFQUKK-GFCCVEGCSA-N 1 0 388.375 2.822 20 0 GFADRO Cn1cc(-c2ccc(C[N@@H+]3CCC[C@@H]3C(=O)N3CCSCC3)s2)cn1 ZINC000374934985 563386583 /nfs/dbraw/zinc/38/65/83/563386583.db2.gz ZMBIVQJMFIUOSP-MRXNPFEDSA-N 1 0 376.551 2.688 20 0 GFADRO C[C@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+]CCS(=O)(=O)C(C)(C)C ZINC000375075836 563389345 /nfs/dbraw/zinc/38/93/45/563389345.db2.gz VGBKXCCRDDDERJ-GJZGRUSLSA-N 1 0 376.563 2.825 20 0 GFADRO COc1ccc(Br)c(NC(=O)NCCN2CC[N@H+](C)C(C)(C)C2)c1 ZINC000282058356 563395697 /nfs/dbraw/zinc/39/56/97/563395697.db2.gz BXTRECGDIDLLTF-UHFFFAOYSA-N 1 0 399.333 2.605 20 0 GFADRO O=S(=O)(c1ccc(Br)s1)N1CCCC2(CC[NH2+]CC2)C1 ZINC000375265290 563397481 /nfs/dbraw/zinc/39/74/81/563397481.db2.gz JIFHUYHOBVEBBU-UHFFFAOYSA-N 1 0 379.345 2.665 20 0 GFADRO O=C(NCC1(c2ccc(Br)cc2)CCOCC1)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000375260904 563397647 /nfs/dbraw/zinc/39/76/47/563397647.db2.gz SXQGHVRMBIDZIK-QFBILLFUSA-N 1 0 393.325 2.613 20 0 GFADRO Cn1cc(Br)c(C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)n1 ZINC000425014959 563401362 /nfs/dbraw/zinc/40/13/62/563401362.db2.gz UVKJTPVXWVFRKZ-GOEBONIOSA-N 1 0 389.297 2.529 20 0 GFADRO C[C@H](NC(=O)C[NH2+][C@@H]1CCC(=O)N[C@H]1C1CC1)c1ccc(Cl)cc1Cl ZINC000375351041 563401379 /nfs/dbraw/zinc/40/13/79/563401379.db2.gz BKNMYUSSUFZEJR-VDYXNGCNSA-N 1 0 384.307 2.817 20 0 GFADRO COc1ccc(C[NH2+][C@H]2CCC(=O)N[C@@H]2C2CC2)c(Br)c1OC ZINC000375374595 563401736 /nfs/dbraw/zinc/40/17/36/563401736.db2.gz YTRZHQQRYAMNET-BLLLJJGKSA-N 1 0 383.286 2.613 20 0 GFADRO COc1ccc(C[NH2+][C@H]2CCC(=O)N[C@H]2C2CC2)c(Br)c1OC ZINC000375374596 563402048 /nfs/dbraw/zinc/40/20/48/563402048.db2.gz YTRZHQQRYAMNET-LRDDRELGSA-N 1 0 383.286 2.613 20 0 GFADRO Cc1ccc(NC(=O)C(=O)NCc2cnc3n2CCCC3)cc1Br ZINC000375394711 563402554 /nfs/dbraw/zinc/40/25/54/563402554.db2.gz VHCPVNOUJWOEDL-UHFFFAOYSA-N 1 0 391.269 2.545 20 0 GFADRO CN(CC[NH+](C)C)c1ccc(Br)cc1NC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000425095175 563403780 /nfs/dbraw/zinc/40/37/80/563403780.db2.gz AJDBDCMQDYYPST-CPUCHLNUSA-N 1 0 396.329 2.953 20 0 GFADRO CN(CC[NH+](C)C)c1ccc(Br)cc1NC(=O)[C@H]1CCCCO1 ZINC000425100504 563404103 /nfs/dbraw/zinc/40/41/03/563404103.db2.gz UYRGBNGLDVHFSG-MRXNPFEDSA-N 1 0 384.318 2.955 20 0 GFADRO C[C@H]([NH2+]CCS(=O)(=O)CCc1ccccc1)c1ccc([S@](C)=O)cc1 ZINC000282268180 563404227 /nfs/dbraw/zinc/40/42/27/563404227.db2.gz DDUSTSNGBAHMCU-FYSMJZIKSA-N 1 0 379.547 2.732 20 0 GFADRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1Nc1cnn(C)c(=O)c1Br ZINC000301504362 563405429 /nfs/dbraw/zinc/40/54/29/563405429.db2.gz CCEOFJVCTVWQSK-HIFRSBDPSA-N 1 0 391.313 2.865 20 0 GFADRO O=C(CN1CC[C@H](c2nc(C3CC3)no2)C1)Nc1ccc(Br)cn1 ZINC000375463732 563405860 /nfs/dbraw/zinc/40/58/60/563405860.db2.gz FJUBDABTNMWLED-NSHDSACASA-N 1 0 392.257 2.533 20 0 GFADRO C[N@H+](CCNS(=O)(=O)c1ccc2ccccc2c1Br)C1CC1 ZINC000425162212 563406937 /nfs/dbraw/zinc/40/69/37/563406937.db2.gz ZENFKULQGAGGBL-UHFFFAOYSA-N 1 0 383.311 2.975 20 0 GFADRO CC(C)Oc1cc(Br)ccc1C(=O)N1CCC[N@@H+]([C@@H](C)CO)CC1 ZINC000375486118 563407153 /nfs/dbraw/zinc/40/71/53/563407153.db2.gz RZVGEWKAPAVRDZ-AWEZNQCLSA-N 1 0 399.329 2.765 20 0 GFADRO CCc1n[nH]c(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1Br ZINC000375742393 563417117 /nfs/dbraw/zinc/41/71/17/563417117.db2.gz IBUIYZAUVWGPGQ-SMDDNHRTSA-N 1 0 381.318 2.824 20 0 GFADRO COC(=O)[C@@H]1C[N@H+](Cc2n[nH]cc2C)C[C@H]1c1ccc(Br)cc1 ZINC000425345554 563418678 /nfs/dbraw/zinc/41/86/78/563418678.db2.gz HIRRLDGLDONCMK-LSDHHAIUSA-N 1 0 378.270 2.869 20 0 GFADRO COC(=O)[C@@H]1C[N@H+](Cc2ccnc(C)n2)C[C@H]1c1ccc(Br)cc1 ZINC000425347008 563418864 /nfs/dbraw/zinc/41/88/64/563418864.db2.gz KPKCNRDJOILVLU-DLBZAZTESA-N 1 0 390.281 2.936 20 0 GFADRO CC1CCC([NH+]2CCN(Cc3ccc(S(=O)(=O)N(C)C)s3)CC2)CC1 ZINC000425409157 563421009 /nfs/dbraw/zinc/42/10/09/563421009.db2.gz VNDDVNKIJXWBBB-UHFFFAOYSA-N 1 0 385.599 2.695 20 0 GFADRO CO[C@H](C[N@@H+]1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1)C1CC1 ZINC000425424433 563421303 /nfs/dbraw/zinc/42/13/03/563421303.db2.gz NFTFTFLFUFRFRA-DZGCQCFKSA-N 1 0 382.302 2.920 20 0 GFADRO CC[NH+](CC)C[C@@H]1CCCC[C@H]1NCc1ccc(S(=O)(=O)N(C)C)s1 ZINC000425435913 563421996 /nfs/dbraw/zinc/42/19/96/563421996.db2.gz UVDDTVFSAISDKN-DOTOQJQBSA-N 1 0 387.615 2.989 20 0 GFADRO CC(C)[C@@H](CNCc1ncc(I)s1)[NH+]1CCCC1 ZINC000302538384 563426107 /nfs/dbraw/zinc/42/61/07/563426107.db2.gz IXMJPOYPMILSNV-LLVKDONJSA-N 1 0 379.311 2.958 20 0 GFADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)COc2cccc(Cl)c2Cl)C1 ZINC000302703044 563428153 /nfs/dbraw/zinc/42/81/53/563428153.db2.gz URQRGWIQPVTTMX-CYBMUJFWSA-N 1 0 375.296 2.845 20 0 GFADRO O=C(Nc1cnc2c(Br)cccn12)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000425672865 563430756 /nfs/dbraw/zinc/43/07/56/563430756.db2.gz LVFQRJVNGSVVAU-GFCCVEGCSA-N 1 0 376.258 2.575 20 0 GFADRO Cc1cc([C@H](C)[NH2+]C2CCN(c3nnnn3C)CC2)ccc1Br ZINC000376177395 563432153 /nfs/dbraw/zinc/43/21/53/563432153.db2.gz HMYKLYIAZKJHQB-LBPRGKRZSA-N 1 0 379.306 2.601 20 0 GFADRO O=C(NCCc1ccc(I)s1)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000425953613 563440881 /nfs/dbraw/zinc/44/08/81/563440881.db2.gz SVRODAFGYLQHOF-LBPRGKRZSA-N 1 0 390.290 2.638 20 0 GFADRO CCS(=O)(=O)c1ccc(Cl)c(C(=O)N2CC[C@H]([NH+]3CCCC3)[C@@H]2C)c1 ZINC000376409816 563441304 /nfs/dbraw/zinc/44/13/04/563441304.db2.gz ALUQOKSKWKJZTO-GUYCJALGSA-N 1 0 384.929 2.832 20 0 GFADRO CCOCCCNC(=O)[C@@H](C)[NH2+][C@H]1CCOc2c(Br)cccc21 ZINC000283335842 563442121 /nfs/dbraw/zinc/44/21/21/563442121.db2.gz AQMXEUVZHKLZKW-DOMZBBRYSA-N 1 0 385.302 2.794 20 0 GFADRO [NH3+]C[C@@H]1c2ccccc2CCN1S(=O)(=O)c1ccc(Br)cc1 ZINC000317225798 563442394 /nfs/dbraw/zinc/44/23/94/563442394.db2.gz CISKNSXSVYXGHI-MRXNPFEDSA-N 1 0 381.295 2.696 20 0 GFADRO O=C(NCc1ccc(Cl)cc1Cl)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000283423241 563444481 /nfs/dbraw/zinc/44/44/81/563444481.db2.gz UIXDSEWOFJRVIB-UHFFFAOYSA-N 1 0 384.307 2.600 20 0 GFADRO O[C@H](C[NH2+]C[C@@H]1Cc2ccccc2O1)COc1ccc(Br)cc1 ZINC000320991680 563446858 /nfs/dbraw/zinc/44/68/58/563446858.db2.gz MRCFYTIOEOZVQZ-WBVHZDCISA-N 1 0 378.266 2.782 20 0 GFADRO CC(C)[C@H]([NH3+])c1cn(CC(=O)N[C@@H](C)c2ccc(Br)cc2)nn1 ZINC000321843632 563448906 /nfs/dbraw/zinc/44/89/06/563448906.db2.gz FRQBCNGGLGBMJL-ZBEGNZNMSA-N 1 0 380.290 2.574 20 0 GFADRO CCn1cc(Br)cc1C(=O)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000322146844 563449229 /nfs/dbraw/zinc/44/92/29/563449229.db2.gz XZDVARYGHDKPBP-HNNXBMFYSA-N 1 0 384.318 2.597 20 0 GFADRO COCC(C)(C)C[NH2+][C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000426353725 563449293 /nfs/dbraw/zinc/44/92/93/563449293.db2.gz WCMSQOLIBPEPQU-CYBMUJFWSA-N 1 0 376.316 2.930 20 0 GFADRO CNC(=O)c1cccc(NC(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)c1Br ZINC000376715993 563452303 /nfs/dbraw/zinc/45/23/03/563452303.db2.gz DURVTFFGHMFPSP-RYUDHWBXSA-N 1 0 395.301 2.557 20 0 GFADRO CNC(=O)c1cccc(NC(=O)N2CCC[N@@H+]3CCC[C@H]3C2)c1Br ZINC000376745410 563453031 /nfs/dbraw/zinc/45/30/31/563453031.db2.gz DRNXJRBTXZMEHZ-LBPRGKRZSA-N 1 0 395.301 2.511 20 0 GFADRO CN(C(=O)C[C@@H]1CSCC[NH2+]1)[C@H](c1ccc(Cl)cc1)c1cnccn1 ZINC000376815482 563454964 /nfs/dbraw/zinc/45/49/64/563454964.db2.gz IVDVWNLIXGCBKF-CRAIPNDOSA-N 1 0 376.913 2.773 20 0 GFADRO COc1cc(Br)c(C[NH2+][C@@H](CO)C[C@H](O)C(C)(C)C)cc1OC ZINC000283840851 563456981 /nfs/dbraw/zinc/45/69/81/563456981.db2.gz FOPVURWIPIJIHG-WBMJQRKESA-N 1 0 390.318 2.714 20 0 GFADRO O[C@H](C[NH2+][C@@H]1COc2ccccc2C1)COc1ccc(Br)cc1 ZINC000328219539 563461043 /nfs/dbraw/zinc/46/10/43/563461043.db2.gz LBOYRFLZKQERLX-JKSUJKDBSA-N 1 0 378.266 2.782 20 0 GFADRO COCC1(CNC(=O)CCCOc2ccccc2Br)CC[NH2+]CC1 ZINC000284113917 563464545 /nfs/dbraw/zinc/46/45/45/563464545.db2.gz WVCQTFQYLGDRFL-UHFFFAOYSA-N 1 0 399.329 2.741 20 0 GFADRO O=C(C[C@@H]1CCC[NH2+]CC1)N[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000427282585 563464926 /nfs/dbraw/zinc/46/49/26/563464926.db2.gz USMVDCOPWNSMHG-ZBFHGGJFSA-N 1 0 380.330 2.924 20 0 GFADRO COC(=O)c1ccc(C[NH2+]CCCOC2CCOCC2)c(Br)c1 ZINC000284173958 563466427 /nfs/dbraw/zinc/46/64/27/563466427.db2.gz ACJOUZMQKKALHQ-UHFFFAOYSA-N 1 0 386.286 2.911 20 0 GFADRO C[C@@H]1OCC[C@]12CN(Cc1cc(Br)c3c(c1)OCCO3)CCO2 ZINC000377272229 563469470 /nfs/dbraw/zinc/46/94/70/563469470.db2.gz ANIUJRSNGLSZIT-SJCJKPOMSA-N 1 0 384.270 2.600 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)c2cc(Br)cnc2OCC2CC2)CC[N@@H+]1C ZINC000329152737 563473973 /nfs/dbraw/zinc/47/39/73/563473973.db2.gz BKQYQFYKIBBLMD-RISCZKNCSA-N 1 0 382.302 2.845 20 0 GFADRO CN1CC[C@@H]([NH2+]CC(=O)Nc2ccc(Br)cn2)[C@H]1c1ccccc1 ZINC000284436890 563474566 /nfs/dbraw/zinc/47/45/66/563474566.db2.gz YZTOSWBDRKDSEI-CRAIPNDOSA-N 1 0 389.297 2.818 20 0 GFADRO CN(C(=O)NCCSC(F)(F)F)C1CC[NH+](Cc2ccncc2)CC1 ZINC000377520998 563477441 /nfs/dbraw/zinc/47/74/41/563477441.db2.gz XJNZYOXTWLWRNW-UHFFFAOYSA-N 1 0 376.448 2.940 20 0 GFADRO C[C@@H](CCCC[NH3+])NS(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC000427949766 563479146 /nfs/dbraw/zinc/47/91/46/563479146.db2.gz YRDRVXGYARUIMF-UONOGXRCSA-N 1 0 390.933 2.551 20 0 GFADRO CCOC(=O)c1cc(Cl)cc(S(=O)(=O)N(C)CC[C@H]([NH3+])C(C)C)c1 ZINC000427957808 563479203 /nfs/dbraw/zinc/47/92/03/563479203.db2.gz HHQIJVPSSPWUEO-HNNXBMFYSA-N 1 0 376.906 2.511 20 0 GFADRO C[NH+](C)CCN1CCCN(C(=O)c2[nH]c3ccccc3c2Br)CC1 ZINC000377579609 563480097 /nfs/dbraw/zinc/48/00/97/563480097.db2.gz FRPSNSQJHYJCFF-UHFFFAOYSA-N 1 0 393.329 2.640 20 0 GFADRO COc1ccc(CN2CCC[C@@H](C[NH+]3CCN(C)CC3)C2)c(Br)c1 ZINC000377632698 563481395 /nfs/dbraw/zinc/48/13/95/563481395.db2.gz WBLYFEJOKDPQEF-INIZCTEOSA-N 1 0 396.373 2.917 20 0 GFADRO Cc1cc(Br)c2c(c1)CN(C(=O)[C@@H](C)C[NH+]1CCOCC1)CC2 ZINC000428049952 563481559 /nfs/dbraw/zinc/48/15/59/563481559.db2.gz QOIOPQRIOPTNKM-AWEZNQCLSA-N 1 0 381.314 2.611 20 0 GFADRO COCC[C@H](Cc1cccc(Br)c1)C(=O)NCC1CC[NH2+]CC1 ZINC000428123436 563483383 /nfs/dbraw/zinc/48/33/83/563483383.db2.gz WDTFAMFSXFOYAJ-MRXNPFEDSA-N 1 0 383.330 2.760 20 0 GFADRO O=C(NCC1CC[NH2+]CC1)c1cc(I)ccc1Cl ZINC000428156735 563484158 /nfs/dbraw/zinc/48/41/58/563484158.db2.gz NSYSHCDCKJLYQM-UHFFFAOYSA-N 1 0 378.641 2.674 20 0 GFADRO CC[NH+](CC)CCN(CC(C)C)C(=O)C(=O)Nc1cccc(Br)n1 ZINC000284735565 563488310 /nfs/dbraw/zinc/48/83/10/563488310.db2.gz KKHOXSINLOJMPC-UHFFFAOYSA-N 1 0 399.333 2.609 20 0 GFADRO C[NH2+][C@@H]1CCN(C(=O)c2ccc(OCc3cc(C)on3)c(Br)c2)C1 ZINC000428436154 563492282 /nfs/dbraw/zinc/49/22/82/563492282.db2.gz HFYQDYXLHQVWLG-CYBMUJFWSA-N 1 0 394.269 2.758 20 0 GFADRO CN(C)c1ccncc1C[NH2+]C[C@@H](CO)Cc1cccc(Br)c1 ZINC000428535607 563494485 /nfs/dbraw/zinc/49/44/85/563494485.db2.gz LLCGWWYJNQOSLF-HNNXBMFYSA-N 1 0 378.314 2.851 20 0 GFADRO CN(C)S(=O)(=O)c1cccc(CN2CC[C@@]3(C)[C@@H](C2)C3(Cl)Cl)c1 ZINC000284962712 563496612 /nfs/dbraw/zinc/49/66/12/563496612.db2.gz XHYVRTBSXCSSAB-CABCVRRESA-N 1 0 377.337 2.953 20 0 GFADRO Cc1nc(-c2ccc(S(=O)(=O)N[C@H]3CN(C4CC4)C[C@H]3C)s2)cs1 ZINC000330147004 563497094 /nfs/dbraw/zinc/49/70/94/563497094.db2.gz LPAABDKPQUNHBY-MFKMUULPSA-N 1 0 383.564 2.941 20 0 GFADRO CC1CC[NH+]([C@H](CNC(=O)N[C@@H](CO)CC(F)F)c2cccs2)CC1 ZINC000428693692 563499835 /nfs/dbraw/zinc/49/98/35/563499835.db2.gz QXBHOPYXBNONFX-ZIAGYGMSSA-N 1 0 375.485 2.836 20 0 GFADRO C[C@H]([NH2+]Cc1cc(Br)c2c(c1)OCCO2)C(C)(C)n1cncn1 ZINC000285057253 563500857 /nfs/dbraw/zinc/50/08/57/563500857.db2.gz ITEOWOANQUXRGZ-NSHDSACASA-N 1 0 381.274 2.725 20 0 GFADRO C[NH+]1CCC2(CCCN2C(=O)c2cc(Br)c3c(c2)OCCO3)CC1 ZINC000378337563 563503424 /nfs/dbraw/zinc/50/34/24/563503424.db2.gz WBONXRJUUFVTBG-UHFFFAOYSA-N 1 0 395.297 2.921 20 0 GFADRO Cc1cc(Br)cc(S(=O)(=O)N2CCC[C@@H]([NH+](C)C)CC2)c1 ZINC000428874586 563504022 /nfs/dbraw/zinc/50/40/22/563504022.db2.gz OVQSQRQKXXXRCR-CQSZACIVSA-N 1 0 375.332 2.862 20 0 GFADRO C[C@@H]1CN(C(=O)c2ccccc2Br)CCN1C1CC[NH+](C)CC1 ZINC000378365286 563504348 /nfs/dbraw/zinc/50/43/48/563504348.db2.gz JBPMAHBZERYCTG-CQSZACIVSA-N 1 0 380.330 2.690 20 0 GFADRO C[C@H]1CCC[N@@H+]1C1CCN(C(=O)c2cnn3cc(Br)cnc23)CC1 ZINC000378367360 563504664 /nfs/dbraw/zinc/50/46/64/563504664.db2.gz RSPGXYXJOCZGFJ-LBPRGKRZSA-N 1 0 392.301 2.581 20 0 GFADRO Cn1cc([C@H](O)C[C@@H]2CCC[N@@H+]2C[C@H](O)c2cccc(Br)c2)cn1 ZINC000378361902 563504678 /nfs/dbraw/zinc/50/46/78/563504678.db2.gz UDNQEXADYYBCIP-KSZLIROESA-N 1 0 394.313 2.804 20 0 GFADRO C[C@@H](NC(=O)c1cnc(Sc2nccn2C)c(Cl)c1)[C@H]1CCC[NH2+]C1 ZINC000428951582 563504783 /nfs/dbraw/zinc/50/47/83/563504783.db2.gz JYQNWVWPKOOBTQ-NEPJUHHUSA-N 1 0 379.917 2.738 20 0 GFADRO C[C@@H](NC(=O)c1cc(-c2ccc(Br)cc2)n[nH]1)[C@@H]1CCC[NH2+]C1 ZINC000428944565 563504837 /nfs/dbraw/zinc/50/48/37/563504837.db2.gz UKFCMGYJRYCEEZ-DGCLKSJQSA-N 1 0 377.286 2.957 20 0 GFADRO Brc1cc2cccnc2c(CN2CC[NH+]([C@@H]3CCOC3)CC2)c1 ZINC000378399422 563505347 /nfs/dbraw/zinc/50/53/47/563505347.db2.gz ROGKQQSAJONMKR-QGZVFWFLSA-N 1 0 376.298 2.904 20 0 GFADRO CCOc1c(Br)cc(C(=O)N[C@H](C)[C@H]2CCC[NH2+]C2)cc1OC ZINC000428996588 563506457 /nfs/dbraw/zinc/50/64/57/563506457.db2.gz SBGPXYKSSYXCKF-NEPJUHHUSA-N 1 0 385.302 2.974 20 0 GFADRO C[N@@H+]1CC[C@H]2CCN(C(=O)c3ccc(F)c(I)c3)C[C@H]21 ZINC000378457948 563507551 /nfs/dbraw/zinc/50/75/51/563507551.db2.gz FGAGHGFUFRFISB-IINYFYTJSA-N 1 0 388.224 2.597 20 0 GFADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)c3c(F)cccc3I)C[C@H]21 ZINC000378448725 563507750 /nfs/dbraw/zinc/50/77/50/563507750.db2.gz DODTWLQXCCKPFC-ZWNOBZJWSA-N 1 0 388.224 2.597 20 0 GFADRO O=C(C[NH2+][C@H](c1cc(Cl)ccc1Cl)[C@H]1CCOC1)NC1CCOCC1 ZINC000378496675 563509327 /nfs/dbraw/zinc/50/93/27/563509327.db2.gz LUPFRNINLFIPRT-SGTLLEGYSA-N 1 0 387.307 2.956 20 0 GFADRO Cc1[nH]cc(C(=O)N2CCC[C@@H](C[NH+]3CCCCC3)C2)c(=O)c1Br ZINC000378582607 563511413 /nfs/dbraw/zinc/51/14/13/563511413.db2.gz XPNZTACGYAGRJR-AWEZNQCLSA-N 1 0 396.329 2.784 20 0 GFADRO CC(C)[N@H+](Cc1cccc(Br)c1)CC1(O)CCS(=O)(=O)CC1 ZINC000330587506 563511583 /nfs/dbraw/zinc/51/15/83/563511583.db2.gz VQCZXQMTFSKVIE-UHFFFAOYSA-N 1 0 390.343 2.599 20 0 GFADRO CCCN(CC[NH+]1CCCC1)S(=O)(=O)c1ccc(NC(C)=O)c(Cl)c1 ZINC000285313622 563514824 /nfs/dbraw/zinc/51/48/24/563514824.db2.gz MHPCQYGJNCEXMI-UHFFFAOYSA-N 1 0 387.933 2.795 20 0 GFADRO CC1(C)Cc2c(cccc2Br)[C@@H]1[NH2+]CCN1CCCS1(=O)=O ZINC000429369053 563515343 /nfs/dbraw/zinc/51/53/43/563515343.db2.gz YTEVJHTVKKVTJK-HNNXBMFYSA-N 1 0 387.343 2.698 20 0 GFADRO Ic1ccc(C[NH2+][C@H]2CCCN(c3ncccn3)C2)cc1 ZINC000385069679 563517909 /nfs/dbraw/zinc/51/79/09/563517909.db2.gz CWLKWVRNXNEUKG-HNNXBMFYSA-N 1 0 394.260 2.840 20 0 GFADRO COc1ccc(S(=O)(=O)NC(C)(C)CCC[NH+](C)C)cc1Br ZINC000387268838 563519716 /nfs/dbraw/zinc/51/97/16/563519716.db2.gz LWEMDOCSYUPZAF-UHFFFAOYSA-N 1 0 393.347 2.856 20 0 GFADRO C[C@@H]1C[C@@H](N2CCOCC2)C[N@@H+]1CCC(=O)Nc1cccc(Br)c1 ZINC000285439244 563520754 /nfs/dbraw/zinc/52/07/54/563520754.db2.gz CSISTRDRKKWDKN-RHSMWYFYSA-N 1 0 396.329 2.573 20 0 GFADRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)C(=O)c2ccc(Cl)s2)CC1 ZINC000429667604 563521204 /nfs/dbraw/zinc/52/12/04/563521204.db2.gz LBYRDRUADBMLIT-ZIAGYGMSSA-N 1 0 383.945 2.601 20 0 GFADRO CCC[N@@H+]1CC[C@H](NC(=O)c2ccc(F)cc2I)C1 ZINC000389663469 563522244 /nfs/dbraw/zinc/52/22/44/563522244.db2.gz CIVZAUDDXUJLPJ-NSHDSACASA-N 1 0 376.213 2.644 20 0 GFADRO C[C@H]([NH2+][C@H]1CCCC[C@H]1NS(C)(=O)=O)c1ccc(Br)cc1 ZINC000330828775 563523137 /nfs/dbraw/zinc/52/31/37/563523137.db2.gz GOHJQCBVYFZNLI-TUKIKUTGSA-N 1 0 375.332 2.960 20 0 GFADRO COCC[C@]1(C(=O)NCC2(c3ccccc3Br)CC2)CC[NH2+]C1 ZINC000429998137 563531060 /nfs/dbraw/zinc/53/10/60/563531060.db2.gz XAKRNKLUQSISAO-GOSISDBHSA-N 1 0 381.314 2.613 20 0 GFADRO COc1cc(S(=O)(=O)NCC2([NH+](C)C)CCCC2)ccc1Br ZINC000331014890 563531731 /nfs/dbraw/zinc/53/17/31/563531731.db2.gz GKZLQHAICAAENQ-UHFFFAOYSA-N 1 0 391.331 2.610 20 0 GFADRO CC1CC[NH+](C[C@H](O)CNS(=O)(=O)c2ccc(Cl)c(F)c2Cl)CC1 ZINC000331029610 563532305 /nfs/dbraw/zinc/53/23/05/563532305.db2.gz XYCXQITZUYCKMZ-LLVKDONJSA-N 1 0 399.315 2.504 20 0 GFADRO C[C@H]([NH2+][C@H]1CCN(S(C)(=O)=O)C1)c1cc2cc(Br)ccc2o1 ZINC000400102160 563534231 /nfs/dbraw/zinc/53/42/31/563534231.db2.gz BAVGICYPAQXACF-GWCFXTLKSA-N 1 0 387.299 2.880 20 0 GFADRO CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H](CO)Cc1ccccc1Br ZINC000430163407 563537445 /nfs/dbraw/zinc/53/74/45/563537445.db2.gz HPYYXANMCYQQRH-YOEHRIQHSA-N 1 0 383.330 2.591 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H]1C(=O)N1CCC(C(=O)Nc2cccc(Br)c2)CC1 ZINC000430261759 563539576 /nfs/dbraw/zinc/53/95/76/563539576.db2.gz VFAQCWIXHPWKAT-JKSUJKDBSA-N 1 0 394.313 2.754 20 0 GFADRO O=C(C[C@@H]1C[NH2+]CCO1)NCC1(c2ccc(Cl)cc2Cl)CCOCC1 ZINC000430292205 563540075 /nfs/dbraw/zinc/54/00/75/563540075.db2.gz AWVUGBVYTUFNGD-CQSZACIVSA-N 1 0 387.307 2.536 20 0 GFADRO COc1ccc(Br)c(S(=O)(=O)NC[C@H]2[NH2+]CCCC2(C)C)c1 ZINC000430350813 563542362 /nfs/dbraw/zinc/54/23/62/563542362.db2.gz DQIAHUZCCFOHPO-CQSZACIVSA-N 1 0 391.331 2.514 20 0 GFADRO [NH3+]CC[C@H]1CCCCN1C(=O)c1cc(F)ccc1I ZINC000285953992 563542966 /nfs/dbraw/zinc/54/29/66/563542966.db2.gz GNCMAZFUXJXCNY-LLVKDONJSA-N 1 0 376.213 2.774 20 0 GFADRO CCC[NH+]1CCC(NC(=O)C(=O)Nc2cc(Br)ccc2C)CC1 ZINC000331280922 563543635 /nfs/dbraw/zinc/54/36/35/563543635.db2.gz ULGQKCMBDFZSST-UHFFFAOYSA-N 1 0 382.302 2.687 20 0 GFADRO CC[C@@H](Cc1ccccc1Br)NC(=O)[C@@]1(CCOC)CC[NH2+]C1 ZINC000430455227 563543828 /nfs/dbraw/zinc/54/38/28/563543828.db2.gz ZZRPZLOHJURDAQ-MAUKXSAKSA-N 1 0 383.330 2.903 20 0 GFADRO C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000430600433 563546728 /nfs/dbraw/zinc/54/67/28/563546728.db2.gz RVRRCJBFSFAZMU-XKQJLSEDSA-N 1 0 380.330 2.622 20 0 GFADRO C[NH2+]C[C@@H]1CCCN(Cc2csc(-c3ccc(S(C)(=O)=O)cc3)n2)C1 ZINC000430660639 563547531 /nfs/dbraw/zinc/54/75/31/563547531.db2.gz DJJPSMKGUKNKBC-AWEZNQCLSA-N 1 0 379.551 2.645 20 0 GFADRO CC(=O)c1cc(Br)ccc1OCC(=O)N(C)C1CC[NH+](C)CC1 ZINC000286101409 563549035 /nfs/dbraw/zinc/54/90/35/563549035.db2.gz LCQPYGCSYDALTD-UHFFFAOYSA-N 1 0 383.286 2.583 20 0 GFADRO C[C@@H]([NH3+])C1CCN(Cc2nc(Cc3cccc(Br)c3)no2)CC1 ZINC000430958302 563551058 /nfs/dbraw/zinc/55/10/58/563551058.db2.gz RZIGNGIMGBEBFG-GFCCVEGCSA-N 1 0 379.302 2.982 20 0 GFADRO CC(C)(CCC[NH3+])NS(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC000431016108 563551720 /nfs/dbraw/zinc/55/17/20/563551720.db2.gz SQWFUQFNPSMBKQ-ZDUSSCGKSA-N 1 0 390.933 2.551 20 0 GFADRO CN(Cc1cc(Br)cs1)C(=O)C[NH2+][C@H]1CCC[C@@H]1CCO ZINC000286185899 563551977 /nfs/dbraw/zinc/55/19/77/563551977.db2.gz PMMJQNONXBRXDK-RISCZKNCSA-N 1 0 375.332 2.610 20 0 GFADRO O=C(NCc1cn2cc(Br)ccc2n1)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000431056448 563552091 /nfs/dbraw/zinc/55/20/91/563552091.db2.gz CRSMBRMENJXGIS-DFBGVHRSSA-N 1 0 377.286 2.634 20 0 GFADRO Cc1nc(-c2ccc(S(=O)(=O)N3CCC4(CC[NH2+]C4)CC3)s2)cs1 ZINC000431027609 563552311 /nfs/dbraw/zinc/55/23/11/563552311.db2.gz XDUHCTIFBHQQND-UHFFFAOYSA-N 1 0 383.564 2.944 20 0 GFADRO C[C@@H]1C[C@@H](N(C)C(=O)c2cnc3ccc(Br)cc3c2O)CC[N@@H+]1C ZINC000408438907 563555712 /nfs/dbraw/zinc/55/57/12/563555712.db2.gz LXZFGFCCTBUPHK-YPMHNXCESA-N 1 0 392.297 2.845 20 0 GFADRO Cc1cc(C[NH2+][C@@H]2CCCN(c3ncc[nH]c3=O)C2)sc1Br ZINC000331650834 563556338 /nfs/dbraw/zinc/55/63/38/563556338.db2.gz UNGFMLGBIQGCEQ-LLVKDONJSA-N 1 0 383.315 2.661 20 0 GFADRO Cc1nc(C(=O)N2C[C@H]3CC[N@@H+](C)[C@H]3C2)nn1-c1c(Cl)cccc1Cl ZINC000408462935 563558071 /nfs/dbraw/zinc/55/80/71/563558071.db2.gz FEBUMYOWAIGSMT-RISCZKNCSA-N 1 0 380.279 2.659 20 0 GFADRO COCc1cccc2sc(NC(=O)N3C[C@@H](SC)[C@H]([NH+](C)C)C3)nc21 ZINC000331813337 563562462 /nfs/dbraw/zinc/56/24/62/563562462.db2.gz XXOAHQMZCBKRCY-TZMCWYRMSA-N 1 0 380.539 2.952 20 0 GFADRO O[C@]1(C[NH2+]Cc2ncc(I)s2)CCc2ccccc21 ZINC000286512655 563563133 /nfs/dbraw/zinc/56/31/33/563563133.db2.gz MVQJMWZWYWCSHR-AWEZNQCLSA-N 1 0 386.258 2.671 20 0 GFADRO O=S(=O)(N[C@@H]1CC[N@@H+](C2CCCC2)C1)c1ccc(OC(F)F)c(F)c1 ZINC000331920240 563567053 /nfs/dbraw/zinc/56/70/53/563567053.db2.gz JKEPVBHRFWKZJZ-LLVKDONJSA-N 1 0 378.416 2.722 20 0 GFADRO COc1ccc(Cl)cc1NC(=O)CN1CC[C@H](C(F)(F)F)[C@@H](CO)C1 ZINC000286616783 563568104 /nfs/dbraw/zinc/56/81/04/563568104.db2.gz RURVTTSUXVMRIB-PWSUYJOCSA-N 1 0 380.794 2.780 20 0 GFADRO C[C@@H](NC(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1)c1ncc(Br)cn1 ZINC000431986200 563572907 /nfs/dbraw/zinc/57/29/07/563572907.db2.gz KQKPOFNBFWWXPY-IUODEOHRSA-N 1 0 396.333 2.864 20 0 GFADRO O=C1[C@@H](NCc2ncc(I)s2)CCN1c1ccccc1 ZINC000286753060 563573360 /nfs/dbraw/zinc/57/33/60/563573360.db2.gz YWPZCICAZHFAGI-NSHDSACASA-N 1 0 399.257 2.643 20 0 GFADRO C[C@@H]1[C@@H](NC(=O)C2(c3ccc(I)cc3)CC2)CCC[N@@H+]1C ZINC000409960499 563575918 /nfs/dbraw/zinc/57/59/18/563575918.db2.gz NFNGERQLHRJMHG-DOMZBBRYSA-N 1 0 398.288 2.922 20 0 GFADRO C[C@H]1[NH2+]CCC[C@H]1C(=O)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000332153609 563579694 /nfs/dbraw/zinc/57/96/94/563579694.db2.gz WEPZHEGMAFZSAW-TZMCWYRMSA-N 1 0 384.307 2.666 20 0 GFADRO CC(=O)c1cc(Br)ccc1OCC(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000286953338 563581474 /nfs/dbraw/zinc/58/14/74/563581474.db2.gz BRYNKURXPVBEJE-BXUZGUMPSA-N 1 0 395.297 2.772 20 0 GFADRO COC(=O)c1cccc(NC(=O)N2CC[C@H]3CC[N@H+](C)C[C@@H]32)c1Br ZINC000332229544 563585841 /nfs/dbraw/zinc/58/58/41/563585841.db2.gz DAJXRZSQBAGWAN-RISCZKNCSA-N 1 0 396.285 2.794 20 0 GFADRO C[N@H+](C[C@H](O)COc1ccccc1C(F)(F)F)C[C@@](C)(O)C(F)(F)F ZINC000410381226 563588189 /nfs/dbraw/zinc/58/81/89/563588189.db2.gz IVGTYYIWXIAXJI-GXFFZTMASA-N 1 0 375.309 2.690 20 0 GFADRO C[C@@H]([NH2+]C[C@H]1CCCSC1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000287123760 563588428 /nfs/dbraw/zinc/58/84/28/563588428.db2.gz RFXSRIRPDCELQD-HZPDHXFCSA-N 1 0 384.567 2.501 20 0 GFADRO O=C(Nc1cc(Br)ccc1F)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000332297857 563591118 /nfs/dbraw/zinc/59/11/18/563591118.db2.gz HECLFNODYDXYNL-CYBMUJFWSA-N 1 0 398.276 2.614 20 0 GFADRO COC(=O)c1cc(NC(=O)NC2CC[NH+](C)CC2)c(C)cc1Br ZINC000287364582 563598010 /nfs/dbraw/zinc/59/80/10/563598010.db2.gz KBTPEFXVEVGZGX-UHFFFAOYSA-N 1 0 384.274 2.760 20 0 GFADRO CC(C)[C@H](C[NH3+])C(=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000433115029 563603382 /nfs/dbraw/zinc/60/33/82/563603382.db2.gz IRPXGEGHWVAKLE-LBPRGKRZSA-N 1 0 378.826 2.633 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)C[N@H+]1CC[C@@H](C)[C@H]1C ZINC000332574081 563604752 /nfs/dbraw/zinc/60/47/52/563604752.db2.gz XQNNFBVBMDCUAL-TZMCWYRMSA-N 1 0 396.329 2.885 20 0 GFADRO C[NH+]1CCC(NC(=O)c2cnc3c(Cl)cc(Br)cc3c2O)CC1 ZINC000332578375 563605144 /nfs/dbraw/zinc/60/51/44/563605144.db2.gz DPRGVMHPFOZVLA-UHFFFAOYSA-N 1 0 398.688 2.768 20 0 GFADRO C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)Nc1ccc2nccnc2c1Br ZINC000332592589 563606611 /nfs/dbraw/zinc/60/66/11/563606611.db2.gz LANQRCSVIUAKCO-QWRGUYRKSA-N 1 0 378.274 2.949 20 0 GFADRO CCCNC(=O)CCC[NH+]1CCN(Cc2ccc(Br)s2)CC1 ZINC000411159846 563607612 /nfs/dbraw/zinc/60/76/12/563607612.db2.gz RURJAIBJLODDGU-UHFFFAOYSA-N 1 0 388.375 2.935 20 0 GFADRO CNC(=O)C[N@H+](C)CCCOc1c(Br)cccc1Br ZINC000411162136 563607673 /nfs/dbraw/zinc/60/76/73/563607673.db2.gz GJJCAAUFHNVFHP-UHFFFAOYSA-N 1 0 394.107 2.658 20 0 GFADRO C[C@H]1CCN(C(=O)Nc2ccc3nccnc3c2Br)C[C@@H]1C[NH3+] ZINC000332645537 563609341 /nfs/dbraw/zinc/60/93/41/563609341.db2.gz WVHVVMYQCGEIRG-QWRGUYRKSA-N 1 0 378.274 2.841 20 0 GFADRO C[C@H](CC[NH+](C)C)NC(=O)C(=O)N[C@@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000411193069 563609511 /nfs/dbraw/zinc/60/95/11/563609511.db2.gz NJDBKJRSMDXWQT-MFKMUULPSA-N 1 0 379.810 2.516 20 0 GFADRO C[C@@H]1C[N@H+](CCCNC(=O)NCCc2ccccc2Br)CCCO1 ZINC000433335842 563610129 /nfs/dbraw/zinc/61/01/29/563610129.db2.gz NHRYFDFHZIAXEF-OAHLLOKOSA-N 1 0 398.345 2.792 20 0 GFADRO Cc1cc(Br)c(NC(=O)C(=O)NC[C@@H]2CCC[N@H+]2C)cc1Cl ZINC000411242631 563611619 /nfs/dbraw/zinc/61/16/19/563611619.db2.gz KLKDACSOZFABPP-JTQLQIEISA-N 1 0 388.693 2.560 20 0 GFADRO C[C@@H]1CN(C(=O)Nc2ccn(-c3ccc(Br)cc3)n2)C[C@H](C)[N@H+]1C ZINC000332681504 563611801 /nfs/dbraw/zinc/61/18/01/563611801.db2.gz SMHOFVDVWZGRCX-BETUJISGSA-N 1 0 392.301 3.191 20 0 GFADRO CC1(C)CN(C(=O)Nc2nnc(-c3cccc(Br)c3)s2)CC[NH2+]1 ZINC000332709526 563612398 /nfs/dbraw/zinc/61/23/98/563612398.db2.gz XYWWVQNNMHGNLM-UHFFFAOYSA-N 1 0 396.314 3.183 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)c1ncn([C@H]2CCC[NH2+]C2)n1 ZINC000433420858 563612438 /nfs/dbraw/zinc/61/24/38/563612438.db2.gz GWCJVXASVPIVFM-ZDUSSCGKSA-N 1 0 378.274 2.780 20 0 GFADRO O=C(N[C@@H]1CCc2c1ccc(Cl)c2Cl)c1ncn([C@H]2CCC[NH2+]C2)n1 ZINC000433412438 563612512 /nfs/dbraw/zinc/61/25/12/563612512.db2.gz UAKKGXJJKLDPSO-IINYFYTJSA-N 1 0 380.279 2.927 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)c2cn(-c3ccc(Br)cc3)cn2)CC[N@@H+]1C ZINC000332713562 563613209 /nfs/dbraw/zinc/61/32/09/563613209.db2.gz ZEWWLTSNNGGBRN-TZMCWYRMSA-N 1 0 377.286 2.847 20 0 GFADRO Cc1ccc(-c2csc(NC(=O)C(=O)N3CC[C@H](C[NH+](C)C)C3)n2)s1 ZINC000287696211 563613967 /nfs/dbraw/zinc/61/39/67/563613967.db2.gz QICDENRTWKOACY-GFCCVEGCSA-N 1 0 378.523 2.529 20 0 GFADRO O=C(N[C@@H]1COc2cc(F)c(Br)cc21)N[C@H]1CCc2[nH]cnc2C1 ZINC000332870482 563615464 /nfs/dbraw/zinc/61/54/64/563615464.db2.gz VWQUQBKMIJDOPE-RMLUDKJBSA-N 1 0 395.232 2.602 20 0 GFADRO NC(=O)NC(=O)CC[NH2+]C1(Cc2ccc(Br)cc2)CCCCC1 ZINC000411389282 563617296 /nfs/dbraw/zinc/61/72/96/563617296.db2.gz WBFGHXIYAZEFRF-UHFFFAOYSA-N 1 0 382.302 2.869 20 0 GFADRO O=S1(=O)CCCN1CC[NH+]1CCC(c2nc3cc(Cl)ccc3o2)CC1 ZINC000333046514 563618966 /nfs/dbraw/zinc/61/89/66/563618966.db2.gz ABWCJIGNELCOPB-UHFFFAOYSA-N 1 0 383.901 2.696 20 0 GFADRO Cc1c(Br)cc(C(=O)NC[C@H](C2CCCCC2)[NH+](C)C)c(=O)n1C ZINC000433818907 563620533 /nfs/dbraw/zinc/62/05/33/563620533.db2.gz OAJTUZNNQZYOSI-MRXNPFEDSA-N 1 0 398.345 2.697 20 0 GFADRO O=S(=O)(NC[C@@H]1CCCCN1C1CC1)c1ccccc1OC(F)(F)F ZINC000333127437 563621276 /nfs/dbraw/zinc/62/12/76/563621276.db2.gz IDNFOWHZGRAVEK-ZDUSSCGKSA-N 1 0 378.416 2.880 20 0 GFADRO Cc1cc(Br)c(S(=O)(=O)N[C@@H]2C[C@H](C)n3ccnc32)s1 ZINC000333128378 563621358 /nfs/dbraw/zinc/62/13/58/563621358.db2.gz WLLIJZZKFQZYSS-OIBJUYFYSA-N 1 0 376.301 3.000 20 0 GFADRO C[C@H](NS(=O)(=O)c1ccc(C[NH+](C)C)cc1)c1ccc([S@](C)=O)cc1 ZINC000433866025 563622043 /nfs/dbraw/zinc/62/20/43/563622043.db2.gz CSIOMYBPQYGQQT-BSEYFRJRSA-N 1 0 380.535 2.525 20 0 GFADRO CSc1ccc(OC[C@H](O)CN2C[C@@H](SC)[C@@H]([NH+]3CCCC3)C2)cc1 ZINC000411528240 563622489 /nfs/dbraw/zinc/62/24/89/563622489.db2.gz RPRXAKSIVHNIEE-AYOQOUSVSA-N 1 0 382.595 2.660 20 0 GFADRO COc1cc(Br)c(C[NH2+][C@H]2CCCO[C@@H]2c2nccn2C)cc1O ZINC000433953610 563623744 /nfs/dbraw/zinc/62/37/44/563623744.db2.gz KLWOLKDIPDJQQQ-BBRMVZONSA-N 1 0 396.285 2.907 20 0 GFADRO CCn1cc([C@@H]2NC(=O)CC[C@H]2[NH2+]Cc2ccc(Br)c(F)c2)cn1 ZINC000433990638 563624718 /nfs/dbraw/zinc/62/47/18/563624718.db2.gz QIPKJEDZQCIUCA-WBVHZDCISA-N 1 0 395.276 2.914 20 0 GFADRO COc1cc(Br)ccc1C(=O)N1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000333253735 563626011 /nfs/dbraw/zinc/62/60/11/563626011.db2.gz HIIHPFXXSVJDJB-WBVHZDCISA-N 1 0 397.313 2.816 20 0 GFADRO [NH3+][C@H]1CCO[C@@H](C2CCN(C(=O)Cc3ccc(Br)cc3)CC2)C1 ZINC000333314641 563627928 /nfs/dbraw/zinc/62/79/28/563627928.db2.gz SKRNHNDLAQBQML-DLBZAZTESA-N 1 0 381.314 2.737 20 0 GFADRO [NH3+][C@@H]1CCO[C@@H](C2CCN(C(=O)c3ccc(Br)c(F)c3)CC2)C1 ZINC000333337510 563628610 /nfs/dbraw/zinc/62/86/10/563628610.db2.gz XHVYNUOZCADWFP-CZUORRHYSA-N 1 0 385.277 2.947 20 0 GFADRO O=C(NCc1ccc(O)c(Br)c1)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000333371031 563629244 /nfs/dbraw/zinc/62/92/44/563629244.db2.gz MLQNEAWHEONTHH-ZIAGYGMSSA-N 1 0 382.302 2.686 20 0 GFADRO O=C(NCc1ccc(O)c(Br)c1)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000333371028 563629416 /nfs/dbraw/zinc/62/94/16/563629416.db2.gz MLQNEAWHEONTHH-KBPBESRZSA-N 1 0 382.302 2.686 20 0 GFADRO C[C@H]([NH2+][C@H](c1cncc(Br)c1)C1CC1)C(=O)NCC(F)(F)F ZINC000411704656 563630491 /nfs/dbraw/zinc/63/04/91/563630491.db2.gz UKFNHWYRIMYLON-UFBFGSQYSA-N 1 0 380.208 2.952 20 0 GFADRO C[C@@H]1C[N@H+](CCCNC(=O)NCc2cc(F)c(Cl)cc2F)CCCO1 ZINC000434429353 563630904 /nfs/dbraw/zinc/63/09/04/563630904.db2.gz PLUVEWMBGNXMFS-GFCCVEGCSA-N 1 0 375.847 2.918 20 0 GFADRO Cc1ncsc1CCS(=O)(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000333458648 563633592 /nfs/dbraw/zinc/63/35/92/563633592.db2.gz UBDPIMROTHQXMY-DOTOQJQBSA-N 1 0 385.599 2.910 20 0 GFADRO CCc1csc(NC(=O)C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)n1 ZINC000434651120 563633721 /nfs/dbraw/zinc/63/37/21/563633721.db2.gz BGZCRWQZKHVYRB-CYBMUJFWSA-N 1 0 378.523 2.659 20 0 GFADRO C[C@@H](NC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1)[C@H]1CCC[NH2+]C1 ZINC000333480589 563633979 /nfs/dbraw/zinc/63/39/79/563633979.db2.gz CATLYLMJRVCOJC-OLZOCXBDSA-N 1 0 386.327 2.608 20 0 GFADRO C[C@H](NC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1)[C@H]1CCC[NH2+]C1 ZINC000333480592 563634156 /nfs/dbraw/zinc/63/41/56/563634156.db2.gz CATLYLMJRVCOJC-STQMWFEESA-N 1 0 386.327 2.608 20 0 GFADRO O=C(N[C@@H]1C[C@H]1c1ccccc1Br)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000333531968 563635403 /nfs/dbraw/zinc/63/54/03/563635403.db2.gz IBMTZUJRZBVZLD-JARXUMMXSA-N 1 0 378.314 2.992 20 0 GFADRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)NCc3cc4cc(Br)ccc4[nH]3)C[C@H]12 ZINC000333615353 563636800 /nfs/dbraw/zinc/63/68/00/563636800.db2.gz RBGAICUAQUYFAB-NZVBXONLSA-N 1 0 377.286 2.809 20 0 GFADRO O=S(=O)(Cc1ccc(Br)cc1)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000434761323 563636868 /nfs/dbraw/zinc/63/68/68/563636868.db2.gz XJKONJUVTJFFRG-INIZCTEOSA-N 1 0 387.343 2.885 20 0 GFADRO Brc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCc3nnnn3CC1)CCS2 ZINC000333667606 563638621 /nfs/dbraw/zinc/63/86/21/563638621.db2.gz CBTKGKKAHMBTGN-YPMHNXCESA-N 1 0 380.315 2.967 20 0 GFADRO CC[NH+](CC)[C@@H]1CCN(c2c(Br)cccc2S(C)(=O)=O)C1 ZINC000288346009 563639604 /nfs/dbraw/zinc/63/96/04/563639604.db2.gz JZJUMMKYEZRDOQ-GFCCVEGCSA-N 1 0 375.332 2.773 20 0 GFADRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)N1CCC(Oc2cccc(Br)c2)CC1 ZINC000333769398 563641877 /nfs/dbraw/zinc/64/18/77/563641877.db2.gz BUZWZEMRMMEJGW-SUMWQHHRSA-N 1 0 396.329 3.000 20 0 GFADRO O=C(NC[C@@H]1C[NH2+]CCCO1)N1CCC(c2ccccc2Br)CC1 ZINC000333802165 563642462 /nfs/dbraw/zinc/64/24/62/563642462.db2.gz HYLAMLPZCTYZQH-HNNXBMFYSA-N 1 0 396.329 2.717 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(C(=O)NCc3cc4cc(Br)ccc4[nH]3)C[C@@H]21 ZINC000333795069 563642565 /nfs/dbraw/zinc/64/25/65/563642565.db2.gz FBINFEQKNVLLBT-BZNIZROVSA-N 1 0 377.286 2.776 20 0 GFADRO O=C(N[C@@H](c1cncc(Br)c1)C1CC1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000333824002 563642998 /nfs/dbraw/zinc/64/29/98/563642998.db2.gz ROKRPYOUCRLLPX-NVXWUHKLSA-N 1 0 379.302 2.690 20 0 GFADRO [NH3+][C@@H]1CCCO[C@H]1C1CCN(C(=O)Cc2ccc(Br)cc2)CC1 ZINC000333843903 563643185 /nfs/dbraw/zinc/64/31/85/563643185.db2.gz OUSYTMKDVKNTQY-AEFFLSMTSA-N 1 0 381.314 2.737 20 0 GFADRO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(C(=O)c2cc(Br)ccc2F)CC1 ZINC000333844731 563643278 /nfs/dbraw/zinc/64/32/78/563643278.db2.gz OYGZLSYNLUJCIA-HZPDHXFCSA-N 1 0 385.277 2.947 20 0 GFADRO OC[C@@H]([NH2+]Cc1ncc(-c2cccc(Br)c2)o1)[C@@H]1CCCOC1 ZINC000411999676 563643861 /nfs/dbraw/zinc/64/38/61/563643861.db2.gz XVBHVMXFHCKQFN-UKRRQHHQSA-N 1 0 381.270 2.981 20 0 GFADRO COC1([C@@H](C)[NH2+]C[C@@H](O)COc2cc(F)cc(Br)c2)CCC1 ZINC000412019095 563645042 /nfs/dbraw/zinc/64/50/42/563645042.db2.gz DLNTXSPFZCSYRC-BXUZGUMPSA-N 1 0 376.266 2.875 20 0 GFADRO C[C@@]1(CNC(=O)N[C@@H]2CCOc3ccc(Br)cc32)CCC[NH2+]C1 ZINC000333943882 563646566 /nfs/dbraw/zinc/64/65/66/563646566.db2.gz RLPSWSKYNPPZSQ-RHSMWYFYSA-N 1 0 382.302 2.962 20 0 GFADRO O=C(N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)N[C@@H]1CCOc2ccc(Br)cc21 ZINC000333948879 563646584 /nfs/dbraw/zinc/64/65/84/563646584.db2.gz WTBFAMVVIJNHFK-FAXLKDOZSA-N 1 0 394.313 2.960 20 0 GFADRO O=C(c1cc(=O)[nH]c2ccc(Br)cc21)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000435246833 563646610 /nfs/dbraw/zinc/64/66/10/563646610.db2.gz IVIINBILRVGSTR-LBPRGKRZSA-N 1 0 376.254 2.669 20 0 GFADRO CC(C)[N@H+](C[C@H](O)COc1cc(Cl)ccc1Cl)C[C@H]1CCC(=O)N1 ZINC000412089530 563647826 /nfs/dbraw/zinc/64/78/26/563647826.db2.gz SXAYJRIUPAXWCF-KGLIPLIRSA-N 1 0 375.296 2.722 20 0 GFADRO CC(C)(C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12)S(=O)(=O)c1ccc(Cl)cc1 ZINC000288565256 563648194 /nfs/dbraw/zinc/64/81/94/563648194.db2.gz FXYIRYAOTAOJNO-HOTGVXAUSA-N 1 0 384.929 2.635 20 0 GFADRO CNc1cc(I)ccc1C(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000412162422 563649306 /nfs/dbraw/zinc/64/93/06/563649306.db2.gz BDQMLGPWQWYPNC-CMPLNLGQSA-N 1 0 399.276 2.688 20 0 GFADRO O=C(NCc1nc(-c2cccs2)c[nH]1)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000334030177 563650711 /nfs/dbraw/zinc/65/07/11/563650711.db2.gz KFQXBZYXGOUNMX-CQSZACIVSA-N 1 0 376.551 2.972 20 0 GFADRO CCN(CCS(=O)(=O)c1ccc(Br)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000435625130 563654725 /nfs/dbraw/zinc/65/47/25/563654725.db2.gz KTNFPCZXBORHKI-OAHLLOKOSA-N 1 0 389.359 2.687 20 0 GFADRO COC[C@@H]([NH2+]C[C@H](O)c1ccc(S(C)(=O)=O)cc1)c1cccc(Cl)c1 ZINC000288771303 563656436 /nfs/dbraw/zinc/65/64/36/563656436.db2.gz JPPVWSAZYYXOPO-MSOLQXFVSA-N 1 0 383.897 2.754 20 0 GFADRO CN(C(=O)[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)[C@H]1CCC[NH2+]CC1 ZINC000435753368 563657505 /nfs/dbraw/zinc/65/75/05/563657505.db2.gz QYMBSGYNXSUWIH-GXTWGEPZSA-N 1 0 384.307 2.947 20 0 GFADRO C[NH+](C)[C@@H]1CCN(c2ccc(NC(=O)c3ncsc3Br)nc2)C1 ZINC000288922234 563662274 /nfs/dbraw/zinc/66/22/74/563662274.db2.gz XKJOYBSBUCNRAW-LLVKDONJSA-N 1 0 396.314 2.693 20 0 GFADRO C[C@H](O)C[N@H+](Cc1ccc(I)c(Cl)c1)[C@@H](C)CO ZINC000436099854 563664384 /nfs/dbraw/zinc/66/43/84/563664384.db2.gz DYHAESVZYCCVPY-UWVGGRQHSA-N 1 0 383.657 2.508 20 0 GFADRO CC[C@H]([NH2+]CC1([S@](C)=O)CCC1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000436300608 563669215 /nfs/dbraw/zinc/66/92/15/563669215.db2.gz KCRXOCIRFOCVBY-PSLXWICFSA-N 1 0 392.974 2.590 20 0 GFADRO O=C(c1ccc(F)cc1I)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000289142923 563669838 /nfs/dbraw/zinc/66/98/38/563669838.db2.gz FSWHRUCVYGLFFO-OAHLLOKOSA-N 1 0 388.224 2.646 20 0 GFADRO C[C@@]1(C[C@@H]2CCC[N@@H+]2Cc2cc(Br)ccc2F)NC(=O)NC1=O ZINC000289207655 563671481 /nfs/dbraw/zinc/67/14/81/563671481.db2.gz BUQDHZXPDXWCOH-LRDDRELGSA-N 1 0 384.249 2.541 20 0 GFADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2cnc3c(Br)cccn23)C1 ZINC000436483476 563671667 /nfs/dbraw/zinc/67/16/67/563671667.db2.gz CJYXHHKWINKRIW-LBPRGKRZSA-N 1 0 380.290 2.902 20 0 GFADRO C[N@H+](CCC(N)=O)Cc1cc(Br)ccc1OCc1ccccn1 ZINC000289262611 563673020 /nfs/dbraw/zinc/67/30/20/563673020.db2.gz FTKGHQGICLZWLX-UHFFFAOYSA-N 1 0 378.270 2.730 20 0 GFADRO CO[C@H](C[NH3+])C(=O)N[C@@H](C)c1nc(-c2ccc(Br)cc2)cs1 ZINC000289473811 563675254 /nfs/dbraw/zinc/67/52/54/563675254.db2.gz BBZNHXIPMLOTTC-TVQRCGJNSA-N 1 0 384.299 2.724 20 0 GFADRO C[C@]1(C[C@@H]2CCC[N@@H+]2Cc2ccc(Br)cc2F)NC(=O)NC1=O ZINC000289698998 563683249 /nfs/dbraw/zinc/68/32/49/563683249.db2.gz ONJJWODHZFITFN-BLLLJJGKSA-N 1 0 384.249 2.541 20 0 GFADRO C[C@@H]1[C@H](N2CCOCC2)CC[N@@H+]1CCC(=O)Nc1ccccc1Br ZINC000289788574 563686477 /nfs/dbraw/zinc/68/64/77/563686477.db2.gz MFCWMBMHOFJHQN-RHSMWYFYSA-N 1 0 396.329 2.573 20 0 GFADRO COCCC[N@H+](C)CCNC(=O)NCc1cccc(Br)c1Cl ZINC000413312484 563688792 /nfs/dbraw/zinc/68/87/92/563688792.db2.gz KAAXDWAUBLBHQS-UHFFFAOYSA-N 1 0 392.725 2.870 20 0 GFADRO Cc1ccc(CN(CC[NH+](C)C)S(=O)(=O)c2cnc3ccsc3c2)o1 ZINC000437242172 563691805 /nfs/dbraw/zinc/69/18/05/563691805.db2.gz CFANLORTDALMIQ-UHFFFAOYSA-N 1 0 379.507 2.950 20 0 GFADRO CC[C@@]1(C(=O)NC2CCN(Cc3ccc(Br)cc3)CC2)CC[NH2+]C1 ZINC000360464816 563692735 /nfs/dbraw/zinc/69/27/35/563692735.db2.gz DGZCPFZVWUDGKF-LJQANCHMSA-N 1 0 394.357 2.919 20 0 GFADRO OCc1cn(CCC[NH2+]Cc2ccc(-c3cccc(Br)c3)o2)nn1 ZINC000290013746 563694957 /nfs/dbraw/zinc/69/49/57/563694957.db2.gz ZAOSBRWUYANYGM-UHFFFAOYSA-N 1 0 391.269 2.973 20 0 GFADRO CC(C)(C)S(=O)(=O)CC[NH2+]C1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000360809771 563695264 /nfs/dbraw/zinc/69/52/64/563695264.db2.gz LZAVTPYWGAYEHP-UHFFFAOYSA-N 1 0 386.945 2.748 20 0 GFADRO Cn1ccc(N2CC[C@H]([NH2+][C@H]3CCc4c3cc(Br)cc4F)C2=O)n1 ZINC000361145359 563696691 /nfs/dbraw/zinc/69/66/91/563696691.db2.gz WCWHXJLLDNHELB-GJZGRUSLSA-N 1 0 393.260 2.704 20 0 GFADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000437720707 563698575 /nfs/dbraw/zinc/69/85/75/563698575.db2.gz HAUXCXOKRLRMFO-IXDOHACOSA-N 1 0 396.329 2.715 20 0 GFADRO C[N@@H+]1CCC[C@@H](N2CCN(CC(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1 ZINC000361430170 563699262 /nfs/dbraw/zinc/69/92/62/563699262.db2.gz NMYZUUJTQNIRDG-OAHLLOKOSA-N 1 0 385.339 2.644 20 0 GFADRO O=C(CNC(=O)c1ccc(Cl)c(Cl)c1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000290208556 563701297 /nfs/dbraw/zinc/70/12/97/563701297.db2.gz RWKCKHXHCGVLIO-AWEZNQCLSA-N 1 0 384.307 2.571 20 0 GFADRO COC(=O)c1sc(NC[C@H]2CCC[N@H+](Cc3cccnc3)C2)nc1Cl ZINC000361831091 563702105 /nfs/dbraw/zinc/70/21/05/563702105.db2.gz RLHMLSODPSGGJI-CYBMUJFWSA-N 1 0 380.901 3.302 20 0 GFADRO O=C(c1cc(Br)c2c(c1)OCCO2)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000290224059 563702112 /nfs/dbraw/zinc/70/21/12/563702112.db2.gz TZPAGDGUTQEYIW-ZDUSSCGKSA-N 1 0 395.297 2.682 20 0 GFADRO CC(C)S(=O)(=O)CC[NH2+]Cc1cc(Br)c2c(c1)OCCCO2 ZINC000290253180 563702715 /nfs/dbraw/zinc/70/27/15/563702715.db2.gz VXRDCQFZPHHYNU-UHFFFAOYSA-N 1 0 392.315 2.523 20 0 GFADRO Cc1c(C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)cnn1-c1cccc(Br)c1 ZINC000290267167 563703079 /nfs/dbraw/zinc/70/30/79/563703079.db2.gz YCJJTJKEYLJGTK-ZIAGYGMSSA-N 1 0 389.297 2.625 20 0 GFADRO C[C@@H]([NH2+][C@H](CO)C1CCCC1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000290268728 563703093 /nfs/dbraw/zinc/70/30/93/563703093.db2.gz VYJLOALOAMUDBF-YMTOWFKASA-N 1 0 381.325 2.843 20 0 GFADRO Cc1ccc(Br)c(CNC(=O)N2CCC([N@H+](C)CCCO)CC2)c1 ZINC000413744647 563704244 /nfs/dbraw/zinc/70/42/44/563704244.db2.gz QGDPQWUBVOEEBD-UHFFFAOYSA-N 1 0 398.345 2.746 20 0 GFADRO Cc1ccc(Br)c(CNC(=O)N2CC[N@@H+](CC(C)(C)O)C[C@H]2C)c1 ZINC000413743478 563704454 /nfs/dbraw/zinc/70/44/54/563704454.db2.gz OYIUVLUWVLNFEB-CQSZACIVSA-N 1 0 398.345 2.744 20 0 GFADRO CC[C@H](C(=O)N(CCC(=O)OC)Cc1cccc(Br)c1)[NH+](C)C ZINC000413762730 563705079 /nfs/dbraw/zinc/70/50/79/563705079.db2.gz MBHYWKKBWMGZCG-OAHLLOKOSA-N 1 0 385.302 2.681 20 0 GFADRO NC(=O)[C@H]([NH2+][C@@H]1CCCN(c2ccccn2)C1)c1cccc(Br)c1 ZINC000362432094 563707147 /nfs/dbraw/zinc/70/71/47/563707147.db2.gz WHZTZELOJSAPID-NVXWUHKLSA-N 1 0 389.297 2.629 20 0 GFADRO CN1CCC([N@@H+]2CC[C@H](NC(=O)/C=C/c3ccc(Br)s3)C2)CC1 ZINC000362711115 563708696 /nfs/dbraw/zinc/70/86/96/563708696.db2.gz NMXKRNATWCBIFI-LQPUYASZSA-N 1 0 398.370 2.809 20 0 GFADRO CC[C@H](C)[C@H](NC(=O)C[NH2+]C(C)(C)c1ccc(Br)cc1)C(=O)OC ZINC000438674807 563708788 /nfs/dbraw/zinc/70/87/88/563708788.db2.gz YKTAMYKGHARKLH-LRDDRELGSA-N 1 0 399.329 2.978 20 0 GFADRO COc1cc(Br)c(C[N@@H+]2CC[C@@H](C(=O)N3CCCC3)C2)c(OC)c1 ZINC000290461505 563710593 /nfs/dbraw/zinc/71/05/93/563710593.db2.gz NBJHRWUCEMGHDS-CYBMUJFWSA-N 1 0 397.313 2.911 20 0 GFADRO COc1cc(C[NH2+][C@H]2CCc3nc(C)ncc3C2)cc(Br)c1O ZINC000362953211 563711229 /nfs/dbraw/zinc/71/12/29/563711229.db2.gz VXCQQCCACZUNBY-ZDUSSCGKSA-N 1 0 378.270 2.909 20 0 GFADRO Brc1ccn2cc(CN3CCC(C[NH+]4CCOCC4)CC3)nc2c1 ZINC000290543023 563713534 /nfs/dbraw/zinc/71/35/34/563713534.db2.gz WEJDUCHINZLVMJ-UHFFFAOYSA-N 1 0 393.329 2.641 20 0 GFADRO C[NH+]1CCC([C@H]2CCN(C(=O)c3c(Cl)cccc3S(C)(=O)=O)C2)CC1 ZINC000438950414 563714166 /nfs/dbraw/zinc/71/41/66/563714166.db2.gz HPLBFWFPRNYBME-AWEZNQCLSA-N 1 0 384.929 2.547 20 0 GFADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)NC1(c2cccc(Br)c2)CC1 ZINC000363181286 563716651 /nfs/dbraw/zinc/71/66/51/563716651.db2.gz VULIVBBOUGGKIH-HOTGVXAUSA-N 1 0 394.313 2.601 20 0 GFADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]CCN(C)Cc1ccccc1 ZINC000414065844 563717272 /nfs/dbraw/zinc/71/72/72/563717272.db2.gz HLBGHLNPTHAPDY-OAHLLOKOSA-N 1 0 378.314 2.721 20 0 GFADRO CCn1cc(Br)cc1C(=O)N1CCC[N@@H+](C2CCOCC2)CC1 ZINC000363239581 563717554 /nfs/dbraw/zinc/71/75/54/563717554.db2.gz YFDSAIBWFWWPTN-UHFFFAOYSA-N 1 0 384.318 2.597 20 0 GFADRO C[NH+]1CCN(C[C@@H](O)COc2c(Cl)ccc(Cl)c2Br)CC1 ZINC000414131048 563720140 /nfs/dbraw/zinc/72/01/40/563720140.db2.gz YPDPELNUZJCCOV-SNVBAGLBSA-N 1 0 398.128 2.743 20 0 GFADRO COc1ccc(C[C@H](C)[NH2+][C@H](C(N)=O)c2cccc(Br)c2)cn1 ZINC000414126853 563720262 /nfs/dbraw/zinc/72/02/62/563720262.db2.gz FRLSFZSIKMWMND-ZBEGNZNMSA-N 1 0 378.270 2.600 20 0 GFADRO O=C(NCc1nc(-c2cccc(Br)c2)no1)C12CCC[NH+]1CCC2 ZINC000290773439 563720701 /nfs/dbraw/zinc/72/07/01/563720701.db2.gz BLMFFORNWVSNEZ-UHFFFAOYSA-N 1 0 391.269 2.744 20 0 GFADRO COCCC[N@@H+]1CCCN(C(=O)CSc2nc3ccccc3s2)CC1 ZINC000363378826 563720988 /nfs/dbraw/zinc/72/09/88/563720988.db2.gz FRZNNMLZUKRXDZ-UHFFFAOYSA-N 1 0 379.551 2.959 20 0 GFADRO C[C@H]1CC[N@H+](C)CCN1C(=O)C(=O)Nc1ccc(Cl)c(Br)c1 ZINC000439350157 563723023 /nfs/dbraw/zinc/72/30/23/563723023.db2.gz CCQPDFVZRKDVIR-JTQLQIEISA-N 1 0 388.693 2.594 20 0 GFADRO CCOc1c(Cl)cc(NC(=O)C(=O)N2CC[N@H+](C)CC[C@@H]2C)cc1Cl ZINC000439359932 563723041 /nfs/dbraw/zinc/72/30/41/563723041.db2.gz PKQVVRPJZRIPDJ-NSHDSACASA-N 1 0 388.295 2.883 20 0 GFADRO OCC[C@H]([NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1)c1ccco1 ZINC000439440023 563724429 /nfs/dbraw/zinc/72/44/29/563724429.db2.gz PHBHDMZRPMXCOS-HIFRSBDPSA-N 1 0 388.233 2.634 20 0 GFADRO O[C@H](COc1cc(F)cc(Br)c1)C[N@H+](C[C@@H]1CCOC1)C1CC1 ZINC000439434726 563724808 /nfs/dbraw/zinc/72/48/08/563724808.db2.gz CGMJMBZONCQBDR-LRDDRELGSA-N 1 0 388.277 2.829 20 0 GFADRO C[C@H]([NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1)C1CCOCC1 ZINC000439433025 563724837 /nfs/dbraw/zinc/72/48/37/563724837.db2.gz XVOADHQGRCGVKF-XHDPSFHLSA-N 1 0 376.266 2.733 20 0 GFADRO COc1ccc(Br)cc1CNC(=O)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000363555512 563726255 /nfs/dbraw/zinc/72/62/55/563726255.db2.gz RGOAVPCPPPVLBS-HNNXBMFYSA-N 1 0 382.302 2.837 20 0 GFADRO O=C1[C@@H](N2CCc3c(Br)cccc3C2)CCN1C1CCOCC1 ZINC000363568096 563726961 /nfs/dbraw/zinc/72/69/61/563726961.db2.gz OBRZHGYIFLCXFY-KRWDZBQOSA-N 1 0 379.298 2.587 20 0 GFADRO Cc1occc1C[NH2+]C[C@@H](O)COc1ccc(I)cc1 ZINC000414343129 563727666 /nfs/dbraw/zinc/72/76/66/563727666.db2.gz QIVGPXRLAHGFJE-CQSZACIVSA-N 1 0 387.217 2.722 20 0 GFADRO CN(C)c1ncc(C[NH2+]CCOc2ncc(C(F)(F)F)cc2Cl)n1C ZINC000414361986 563729287 /nfs/dbraw/zinc/72/92/87/563729287.db2.gz UNRIGSOZUSTWDT-UHFFFAOYSA-N 1 0 377.798 2.722 20 0 GFADRO NC(=O)c1cn(CCCC[NH2+][C@H]2CCCc3cc(Br)ccc32)nn1 ZINC000414352953 563729504 /nfs/dbraw/zinc/72/95/04/563729504.db2.gz QTUQZAJPVOSKFY-HNNXBMFYSA-N 1 0 392.301 2.587 20 0 GFADRO CC(C)[N@@H+]1CCC[C@H](NC(=O)Cc2cc3c(cc2Br)OCCO3)C1 ZINC000439727886 563730700 /nfs/dbraw/zinc/73/07/00/563730700.db2.gz FKXLMTAKSYTTDN-AWEZNQCLSA-N 1 0 397.313 2.752 20 0 GFADRO COC(=O)[C@]12CCC[C@@H]1C[N@H+](Cc1nnc(-c3ccc(Br)o3)o1)C2 ZINC000363686069 563730811 /nfs/dbraw/zinc/73/08/11/563730811.db2.gz CUPKVJMJYSTMHD-HWPZZCPQSA-N 1 0 396.241 2.867 20 0 GFADRO COC(=O)[C@@]12CCC[C@@H]1C[N@H+](Cc1nnc(-c3ccc(Br)o3)o1)C2 ZINC000363686083 563731113 /nfs/dbraw/zinc/73/11/13/563731113.db2.gz CUPKVJMJYSTMHD-QLJPJBMISA-N 1 0 396.241 2.867 20 0 GFADRO COC(=O)c1ccc(S(=O)(=O)N[C@H](C)[C@@H](c2ccccc2)[NH+](C)C)s1 ZINC000440079494 563735267 /nfs/dbraw/zinc/73/52/67/563735267.db2.gz YKCJEDZJRRVEEO-WBMJQRKESA-N 1 0 382.507 2.504 20 0 GFADRO C[C@H](c1ccc(Cl)cc1)N(C)C(=O)CN1CC[NH+]([C@H]2CCSC2)CC1 ZINC000363917823 563736784 /nfs/dbraw/zinc/73/67/84/563736784.db2.gz AXYAJOYXLMZWCI-QAPCUYQASA-N 1 0 381.973 2.983 20 0 GFADRO CS(=O)(=O)c1ccc(C[NH2+]C[C@H]2CSCCN2Cc2ccccc2)s1 ZINC000414438344 563737389 /nfs/dbraw/zinc/73/73/89/563737389.db2.gz RMWXNBZOCNLOAS-INIZCTEOSA-N 1 0 396.603 2.859 20 0 GFADRO [NH3+]C[C@@H](NS(=O)(=O)c1ccc(OCC(F)(F)F)cc1)C1CCCCC1 ZINC000440417049 563741559 /nfs/dbraw/zinc/74/15/59/563741559.db2.gz PBJYCRDCYVCPGH-OAHLLOKOSA-N 1 0 380.432 2.814 20 0 GFADRO CCc1ncc(C[NH2+]C[C@H](CO)Cc2cc(F)cc(Br)c2)cn1 ZINC000414465108 563741631 /nfs/dbraw/zinc/74/16/31/563741631.db2.gz RAHIZPJZVOYIEF-CYBMUJFWSA-N 1 0 382.277 2.881 20 0 GFADRO Cc1c(S(=O)(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)cnn1-c1ccc(Cl)cc1 ZINC000440442781 563742148 /nfs/dbraw/zinc/74/21/48/563742148.db2.gz PXRWSILAZRLBDH-JSGCOSHPSA-N 1 0 382.917 2.582 20 0 GFADRO COc1ccc(S(=O)(=O)NCc2ccc([C@H](C)[NH3+])cc2)cc1Br ZINC000440423747 563742313 /nfs/dbraw/zinc/74/23/13/563742313.db2.gz VSHFRWCIGZZTKA-NSHDSACASA-N 1 0 399.310 2.956 20 0 GFADRO CCOc1cc(Br)ccc1NC(=O)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O ZINC000364182424 563745313 /nfs/dbraw/zinc/74/53/13/563745313.db2.gz YVRCLENHCTWDOZ-YOGCLGLASA-N 1 0 381.270 2.601 20 0 GFADRO COc1ccc(C[NH2+]CC2(CS(C)(=O)=O)CCC2)cc1Br ZINC000414552284 563745759 /nfs/dbraw/zinc/74/57/59/563745759.db2.gz DBQXEBHFCXJQAD-UHFFFAOYSA-N 1 0 376.316 2.762 20 0 GFADRO CC(C)(CC[NH2+]Cc1ccc(I)cc1)S(C)(=O)=O ZINC000414520084 563745764 /nfs/dbraw/zinc/74/57/64/563745764.db2.gz YXTWKTMNMOSJPG-UHFFFAOYSA-N 1 0 381.279 2.594 20 0 GFADRO O=C(CC1([NH+]2CCOCC2)CCCC1)N1CCSC[C@H]1c1nccs1 ZINC000364208271 563746060 /nfs/dbraw/zinc/74/60/60/563746060.db2.gz TUZPELUFPRTMBO-HNNXBMFYSA-N 1 0 381.567 2.795 20 0 GFADRO OC[C@H]([NH2+]C1CCN(Cc2ccccc2Br)CC1)[C@H]1CCCOC1 ZINC000414542140 563746347 /nfs/dbraw/zinc/74/63/47/563746347.db2.gz DDCBTXQSLBUSHP-LPHOPBHVSA-N 1 0 397.357 2.791 20 0 GFADRO Cc1cnc(Br)c(NC(=O)C(=O)NCCCCCCC[NH+](C)C)c1 ZINC000291550097 563747553 /nfs/dbraw/zinc/74/75/53/563747553.db2.gz UCNJXYBITMKSJC-UHFFFAOYSA-N 1 0 399.333 2.719 20 0 GFADRO [NH3+][C@@H]1CCC[C@]12CCN(C(=O)c1cnn(-c3ccc(Br)cc3)c1)C2 ZINC000364257379 563747719 /nfs/dbraw/zinc/74/77/19/563747719.db2.gz MRGRLJQAJWQKKO-SJLPKXTDSA-N 1 0 389.297 2.978 20 0 GFADRO [NH3+][C@@H]1CCC[C@]12CCN(C(=O)Cc1cccc(I)c1)C2 ZINC000364273650 563748289 /nfs/dbraw/zinc/74/82/89/563748289.db2.gz WRDQJKILTXMIRD-GDBMZVCRSA-N 1 0 384.261 2.564 20 0 GFADRO O=C(N1CCC[C@@H]1c1csc([C@H]2C[N@@H+]3CCC[C@@H]3CO2)n1)C(F)(F)F ZINC000364287903 563748446 /nfs/dbraw/zinc/74/84/46/563748446.db2.gz GGCOLEQHZCZZIP-RAIGVLPGSA-N 1 0 375.416 2.905 20 0 GFADRO C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)Nc1ccccc1I ZINC000414667223 563749034 /nfs/dbraw/zinc/74/90/34/563749034.db2.gz XVJJEAUCJDUSNM-CABZTGNLSA-N 1 0 389.237 2.526 20 0 GFADRO O=S(=O)(c1cc(Cl)c(Br)cc1F)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000440762604 563749494 /nfs/dbraw/zinc/74/94/94/563749494.db2.gz RHKDXLZLWYREFG-VIFPVBQESA-N 1 0 397.697 2.757 20 0 GFADRO Cc1cc(Br)ccc1S(=O)(=O)NCCC[NH2+]Cc1cccnc1 ZINC000440762019 563749521 /nfs/dbraw/zinc/74/95/21/563749521.db2.gz QFVFEWJJNJVXEF-UHFFFAOYSA-N 1 0 398.326 2.611 20 0 GFADRO O=S(=O)(c1ccc(Cl)cc1Br)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000440763953 563749543 /nfs/dbraw/zinc/74/95/43/563749543.db2.gz TYGNMAZJMJKKJV-NSHDSACASA-N 1 0 379.707 2.618 20 0 GFADRO O=C(Nc1ccc(Br)cc1Br)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000414693261 563750251 /nfs/dbraw/zinc/75/02/51/563750251.db2.gz MKFJGYSPMWWVAH-DTORHVGOSA-N 1 0 389.091 2.895 20 0 GFADRO O=C1[C@H]([NH2+][C@H]2CCc3c2cccc3Br)CCN1C1CCOCC1 ZINC000364346973 563750464 /nfs/dbraw/zinc/75/04/64/563750464.db2.gz PBCRMROJXJWJNN-DLBZAZTESA-N 1 0 379.298 2.806 20 0 GFADRO O=S(=O)(c1cc(F)ccc1Br)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000440833645 563750823 /nfs/dbraw/zinc/75/08/23/563750823.db2.gz MIPLPBQSBWEQCJ-CQSZACIVSA-N 1 0 391.306 2.741 20 0 GFADRO COCC1(C[NH2+]Cc2cccc(I)c2)CCOCC1 ZINC000291646709 563751535 /nfs/dbraw/zinc/75/15/35/563751535.db2.gz CEUMCEGXZLQGLM-UHFFFAOYSA-N 1 0 375.250 2.824 20 0 GFADRO COc1ccc([C@@H]2CC[NH2+]C[C@H]2NS(=O)(=O)c2cc(C)c(C)s2)cc1 ZINC000440840539 563751889 /nfs/dbraw/zinc/75/18/89/563751889.db2.gz ACWMLEWRSGOJKT-DLBZAZTESA-N 1 0 380.535 2.798 20 0 GFADRO C[NH2+]Cc1cccc(NC(=O)C(=O)N(C)Cc2csc(Br)c2)c1 ZINC000414756891 563752073 /nfs/dbraw/zinc/75/20/73/563752073.db2.gz RNINGIUJPOFJLN-UHFFFAOYSA-N 1 0 396.310 2.827 20 0 GFADRO COCC[N@@H+]1CCCN(C(=O)C2(c3ccccc3Br)CC2)CC1 ZINC000364390330 563752213 /nfs/dbraw/zinc/75/22/13/563752213.db2.gz XEAWRKNJCFIKPF-UHFFFAOYSA-N 1 0 381.314 2.661 20 0 GFADRO Cc1ccc(Cc2cnc(NC(=O)N3CCO[C@@H](C[NH3+])C3)s2)cc1Cl ZINC000414742230 563752192 /nfs/dbraw/zinc/75/21/92/563752192.db2.gz SZBVZCPJIRHWSC-ZDUSSCGKSA-N 1 0 380.901 2.887 20 0 GFADRO Cc1ccc(NC(=O)N2C[C@@H](C[NH3+])C3(C2)CCOCC3)cc1Br ZINC000414795781 563752544 /nfs/dbraw/zinc/75/25/44/563752544.db2.gz WYDBOISSVPJNOB-CYBMUJFWSA-N 1 0 382.302 2.977 20 0 GFADRO CC[C@@H](NC(=O)C(=O)Nc1ccc(OCC[NH3+])cc1)c1ccc(Cl)s1 ZINC000414855193 563753374 /nfs/dbraw/zinc/75/33/74/563753374.db2.gz VYQBDOVVWDEMBG-CYBMUJFWSA-N 1 0 381.885 2.945 20 0 GFADRO [NH3+]C1CCC(NC(=O)Nc2cc(Br)ccc2N2CCOCC2)CC1 ZINC000414931830 563754237 /nfs/dbraw/zinc/75/42/37/563754237.db2.gz RXIVZNKIWGTLPS-UHFFFAOYSA-N 1 0 397.317 2.677 20 0 GFADRO CC(C)[C@@](C)(C[NH3+])NC(=O)Nc1cc(Br)ccc1N1CCOCC1 ZINC000414925681 563754348 /nfs/dbraw/zinc/75/43/48/563754348.db2.gz JATBNVQAHRPFPY-QGZVFWFLSA-N 1 0 399.333 2.781 20 0 GFADRO Fc1ccc(I)c(F)c1CN[C@H]1C[NH2+]CCC1(F)F ZINC000415005184 563756775 /nfs/dbraw/zinc/75/67/75/563756775.db2.gz REXDPYHTMRWFTL-JTQLQIEISA-N 1 0 388.146 2.656 20 0 GFADRO Cc1ccc(C[NH2+]C[C@@H]2CC(=O)N(C)[C@H]2c2cnn(C)c2)c(Br)c1 ZINC000364542890 563756768 /nfs/dbraw/zinc/75/67/68/563756768.db2.gz OPTFMQNBJNPWSU-KBXCAEBGSA-N 1 0 391.313 2.800 20 0 GFADRO COc1cc(CNCCC[NH2+]C2CC2)cc(I)c1OC ZINC000415073963 563757832 /nfs/dbraw/zinc/75/78/32/563757832.db2.gz ZLJQTZHKALMYTN-UHFFFAOYSA-N 1 0 390.265 2.540 20 0 GFADRO O=S(=O)(NCC[NH2+]Cc1ccc(F)c(F)c1)c1ccc(Cl)cc1F ZINC000441355725 563757833 /nfs/dbraw/zinc/75/78/33/563757833.db2.gz ZIHQKRWYMFTEAR-UHFFFAOYSA-N 1 0 378.803 2.825 20 0 GFADRO CCOCCOc1c(Cl)cccc1NC(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000415050969 563758097 /nfs/dbraw/zinc/75/80/97/563758097.db2.gz FFDJYJIAKBVXLA-CYBMUJFWSA-N 1 0 377.819 2.874 20 0 GFADRO [NH3+]CC1CCN(C(=O)Nc2cc(F)c(I)c(F)c2)CC1 ZINC000415113695 563759489 /nfs/dbraw/zinc/75/94/89/563759489.db2.gz FEMKQGNKLWRFGV-UHFFFAOYSA-N 1 0 395.191 2.772 20 0 GFADRO [NH3+]C[C@@H]1CN(Cc2ccc(OC(F)(F)F)c(Br)c2)CCCO1 ZINC000415106583 563759641 /nfs/dbraw/zinc/75/96/41/563759641.db2.gz JTQWIBJBOXRXNQ-LLVKDONJSA-N 1 0 383.208 2.897 20 0 GFADRO C[C@@H](CCC[NH3+])NC(=O)Nc1cc(F)c(I)c(F)c1 ZINC000415125672 563760201 /nfs/dbraw/zinc/76/02/01/563760201.db2.gz SMQIPDCKQZLSHG-ZETCQYMHSA-N 1 0 383.180 2.818 20 0 GFADRO Cc1cc(Br)c(S(=O)(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)s1 ZINC000291816960 563760347 /nfs/dbraw/zinc/76/03/47/563760347.db2.gz DUTWPGGFMKXNOB-ZDUSSCGKSA-N 1 0 379.345 2.535 20 0 GFADRO CC(C)[C@@H]([NH3+])CNC(=O)Nc1cc(F)c(I)c(F)c1 ZINC000415129490 563760528 /nfs/dbraw/zinc/76/05/28/563760528.db2.gz ZCGUHLOKHIDMMC-JTQLQIEISA-N 1 0 383.180 2.674 20 0 GFADRO [NH3+][C@H]1CCCN(C(=O)Nc2cc(Br)cnc2OCC(F)(F)F)C1 ZINC000415178287 563761833 /nfs/dbraw/zinc/76/18/33/563761833.db2.gz RZJPMMGQWKAQBV-VIFPVBQESA-N 1 0 397.195 2.740 20 0 GFADRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)Nc1cc(F)c(F)cc1I ZINC000415239022 563763241 /nfs/dbraw/zinc/76/32/41/563763241.db2.gz NNXFRPXEZNDUMK-HQJQHLMTSA-N 1 0 395.191 2.689 20 0 GFADRO O=C(Nc1ccc2c(c1)C[NH2+]CC2)C(=O)N[C@H]1CCc2sc(Cl)cc21 ZINC000415245570 563763508 /nfs/dbraw/zinc/76/35/08/563763508.db2.gz ZVRIUYIIHBBKAO-AWEZNQCLSA-N 1 0 375.881 2.789 20 0 GFADRO C[C@@H]1CN(C(=O)Nc2cc(I)ccc2Cl)CC[NH2+]1 ZINC000415260840 563764961 /nfs/dbraw/zinc/76/49/61/563764961.db2.gz BYKJFIQDGCFCEW-MRVPVSSYSA-N 1 0 379.629 2.770 20 0 GFADRO O=C(Nc1ccc(F)c(Br)c1)C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000441839314 563765088 /nfs/dbraw/zinc/76/50/88/563765088.db2.gz NQWZEJQFFIIGJA-LBPRGKRZSA-N 1 0 398.276 2.660 20 0 GFADRO C[NH2+][C@H]1CCN(C(=O)Nc2cccc(Oc3ncc(Br)cn3)c2)C1 ZINC000415303260 563766040 /nfs/dbraw/zinc/76/60/40/563766040.db2.gz NYQURBIYUDZPJX-ZDUSSCGKSA-N 1 0 392.257 2.857 20 0 GFADRO COC(=O)c1ccc(S(=O)(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)cc1Cl ZINC000441978130 563766017 /nfs/dbraw/zinc/76/60/17/563766017.db2.gz JOCTZFHFLFVWBA-CYBMUJFWSA-N 1 0 388.917 2.525 20 0 GFADRO [NH3+]C1(CNC(=O)C(=O)Nc2cc(F)ccc2Br)CCCCCC1 ZINC000415317187 563766817 /nfs/dbraw/zinc/76/68/17/563766817.db2.gz OXZJKTRYKLURSV-UHFFFAOYSA-N 1 0 386.265 2.695 20 0 GFADRO COc1ccc(NC(=O)C(=O)NCC2([NH3+])CCCCCC2)c(Br)c1 ZINC000415314730 563767002 /nfs/dbraw/zinc/76/70/02/563767002.db2.gz JUDNONKAUHSGDK-UHFFFAOYSA-N 1 0 398.301 2.564 20 0 GFADRO Cc1ccc(-c2csc(NC(=O)C(=O)N[C@@H](C)[C@@H]3CCC[NH2+]C3)n2)s1 ZINC000415351562 563769501 /nfs/dbraw/zinc/76/95/01/563769501.db2.gz JQRXZRIDYYIXIY-NWDGAFQWSA-N 1 0 378.523 2.623 20 0 GFADRO Cc1nn(C)c(NC(=O)N(C)[C@@H](C)C[NH3+])c1-c1ccc(Br)cc1 ZINC000415360511 563770635 /nfs/dbraw/zinc/77/06/35/563770635.db2.gz MFZCNHHIIJDFOC-JTQLQIEISA-N 1 0 380.290 2.969 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)C(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000415374578 563771280 /nfs/dbraw/zinc/77/12/80/563771280.db2.gz DKCMFNCTCZHKNX-NSHDSACASA-N 1 0 382.302 2.536 20 0 GFADRO C[NH2+][C@H]1CCCN(C(=O)C(=O)Nc2c(C)cc(Br)cc2Cl)C1 ZINC000415373637 563771284 /nfs/dbraw/zinc/77/12/84/563771284.db2.gz JAPGAPPXFHABOW-NSHDSACASA-N 1 0 388.693 2.560 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)Nc2ccc(OC(F)(F)F)cc2Br)CCO1 ZINC000415366879 563771298 /nfs/dbraw/zinc/77/12/98/563771298.db2.gz XEQXEMAACIILOP-SECBINFHSA-N 1 0 398.179 2.539 20 0 GFADRO CC1(C)[NH2+]CC[C@H]1NC(=O)Nc1cccc(F)c1I ZINC000415367760 563771334 /nfs/dbraw/zinc/77/13/34/563771334.db2.gz YTRKQCDAJUUYKU-SNVBAGLBSA-N 1 0 377.201 2.692 20 0 GFADRO Cc1cc(F)c(NC(=O)N2C[C@@H](C)[NH2+]C[C@@H]2C)c(I)c1 ZINC000415388059 563772152 /nfs/dbraw/zinc/77/21/52/563772152.db2.gz HOMVJGLYTNPQJG-ZJUUUORDSA-N 1 0 391.228 2.953 20 0 GFADRO COC(=O)c1cc(NC(=O)N2CCC([C@H](C)[NH3+])CC2)ccc1Br ZINC000415401806 563772528 /nfs/dbraw/zinc/77/25/28/563772528.db2.gz HUGWFKJKSKNWPZ-JTQLQIEISA-N 1 0 384.274 2.827 20 0 GFADRO Cc1cc(F)c(NC(=O)N(C)C2CC([NH3+])C2)c(I)c1 ZINC000415402080 563772792 /nfs/dbraw/zinc/77/27/92/563772792.db2.gz JQKBGIJRGLTUON-UHFFFAOYSA-N 1 0 377.201 2.692 20 0 GFADRO C[NH2+]C[C@@H]1CCCN(C(=O)C2CCN(C(=O)c3ccc(Cl)s3)CC2)C1 ZINC000365046594 563772919 /nfs/dbraw/zinc/77/29/19/563772919.db2.gz LZTPKETYJWVSOP-ZDUSSCGKSA-N 1 0 383.945 2.712 20 0 GFADRO COC(=O)c1cc(NC(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)ccc1Br ZINC000415412477 563773607 /nfs/dbraw/zinc/77/36/07/563773607.db2.gz XKYIOFAHLIDYSD-GHMZBOCLSA-N 1 0 384.274 2.875 20 0 GFADRO Cc1cc(NC(=O)C(=O)N[C@@H](C[NH3+])C2CCCCC2)ccc1Br ZINC000415422667 563774293 /nfs/dbraw/zinc/77/42/93/563774293.db2.gz DZEOMGJPNUMMBM-HNNXBMFYSA-N 1 0 382.302 2.720 20 0 GFADRO COCCOc1ccc(Br)cc1NC(=O)N[C@H](CC[NH3+])C(F)F ZINC000415429061 563774900 /nfs/dbraw/zinc/77/49/00/563774900.db2.gz QVKAKGQUTWTCPW-SNVBAGLBSA-N 1 0 396.232 2.578 20 0 GFADRO [NH3+]CC[C@@H]1CCCN(C(=O)c2ccc(S(=O)(=O)c3ccccc3)s2)C1 ZINC000442596073 563774945 /nfs/dbraw/zinc/77/49/45/563774945.db2.gz HVZVJWSECJXAAX-AWEZNQCLSA-N 1 0 378.519 2.782 20 0 GFADRO COCCOc1ccc(Br)cc1NC(=O)N1C[C@H](C[NH3+])C[C@@H]1C ZINC000415435618 563775589 /nfs/dbraw/zinc/77/55/89/563775589.db2.gz ZOZQFXGISZIREL-RYUDHWBXSA-N 1 0 386.290 2.675 20 0 GFADRO CC(C)[C@H]([NH3+])CNC(=O)C(=O)Nc1ccc(Br)c(C(F)(F)F)c1 ZINC000415433623 563775713 /nfs/dbraw/zinc/77/57/13/563775713.db2.gz GZWWERRQJKQPEG-LLVKDONJSA-N 1 0 396.207 2.506 20 0 GFADRO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)Nc1ccc(-c2ccc(Cl)s2)nc1 ZINC000415433690 563775719 /nfs/dbraw/zinc/77/57/19/563775719.db2.gz VQGAVLZXUJEUHL-LBPRGKRZSA-N 1 0 380.901 2.892 20 0 GFADRO CC(C)[C@H](CNC(=O)[C@H](C)c1cccc(Br)c1)[NH+]1CCN(C)CC1 ZINC000292144571 563775836 /nfs/dbraw/zinc/77/58/36/563775836.db2.gz OYTJWIHIJSVRJO-QAPCUYQASA-N 1 0 396.373 2.941 20 0 GFADRO Cc1ccc(-c2csc(NC(=O)C(=O)N3CCC[C@H]([C@@H](C)[NH3+])C3)n2)s1 ZINC000415450661 563776108 /nfs/dbraw/zinc/77/61/08/563776108.db2.gz RXQLCJYKBCWXJF-NEPJUHHUSA-N 1 0 378.523 2.704 20 0 GFADRO CS(=O)(=O)c1ccc(NC(=O)NCC[C@@H]2CCC[NH2+]C2)cc1C(F)F ZINC000415450010 563776391 /nfs/dbraw/zinc/77/63/91/563776391.db2.gz ZCRPLXBGHMEASW-NSHDSACASA-N 1 0 375.441 2.539 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000415440424 563776468 /nfs/dbraw/zinc/77/64/68/563776468.db2.gz MPCZUPALMSHTAO-QWHCGFSZSA-N 1 0 382.302 2.590 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N2CCC[C@@H]([C@H](C)[NH3+])C2)c(Br)c1 ZINC000415458215 563776910 /nfs/dbraw/zinc/77/69/10/563776910.db2.gz YCEHDGLEORPKLC-QWHCGFSZSA-N 1 0 382.302 2.590 20 0 GFADRO Cc1csc(Sc2ccc(NC(=O)C(=O)NC[C@@H]([NH3+])C(C)C)cc2)n1 ZINC000415462798 563777036 /nfs/dbraw/zinc/77/70/36/563777036.db2.gz PYLZVNISCPWVOC-CQSZACIVSA-N 1 0 378.523 2.641 20 0 GFADRO CCC([NH3+])(CC)CNC(=O)C(=O)Nc1ccc(Cl)c(Br)c1 ZINC000415473683 563777679 /nfs/dbraw/zinc/77/76/79/563777679.db2.gz HLFPNBXTXARKOP-UHFFFAOYSA-N 1 0 376.682 2.675 20 0 GFADRO COC(=O)c1cc(Br)c(F)cc1NC(=O)N1C[C@@H](C[NH3+])C[C@@H]1C ZINC000415470111 563777731 /nfs/dbraw/zinc/77/77/31/563777731.db2.gz NKDSMDLHIQLVSF-DTWKUNHWSA-N 1 0 388.237 2.576 20 0 GFADRO CCC([NH3+])(CC)CNC(=O)C(=O)Nc1cc(Cl)ccc1OC(F)(F)F ZINC000415493241 563778831 /nfs/dbraw/zinc/77/88/31/563778831.db2.gz PLRWXZKPGUPTIC-UHFFFAOYSA-N 1 0 381.782 2.811 20 0 GFADRO CCCC[C@@H](C[NH3+])NC(=O)C(=O)Nc1cc(Cl)ccc1OC(F)(F)F ZINC000415490335 563778935 /nfs/dbraw/zinc/77/89/35/563778935.db2.gz CFTYVJWRGCNRQL-JTQLQIEISA-N 1 0 381.782 2.811 20 0 GFADRO COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000365278963 563779479 /nfs/dbraw/zinc/77/94/79/563779479.db2.gz XJPPZWNJYUHTOY-WDEREUQCSA-N 1 0 386.279 2.684 20 0 GFADRO [NH3+]C1CCC(NC(=O)Nc2nnc(-c3cccc(Br)c3)s2)CC1 ZINC000415497953 563779830 /nfs/dbraw/zinc/77/98/30/563779830.db2.gz IPCAJBXKVYCSKQ-UHFFFAOYSA-N 1 0 396.314 3.359 20 0 GFADRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)Nc1ccnn1Cc1ccc(Br)cc1 ZINC000415522402 563781273 /nfs/dbraw/zinc/78/12/73/563781273.db2.gz DJTKIKAKOFXKMM-OCCSQVGLSA-N 1 0 392.301 2.895 20 0 GFADRO [NH3+]C[C@H]1CC[C@@H](NC(=O)Nc2ccnn2Cc2ccccc2Br)C1 ZINC000415520474 563781284 /nfs/dbraw/zinc/78/12/84/563781284.db2.gz IAKLBOJTDDNELF-GXTWGEPZSA-N 1 0 392.301 2.943 20 0 GFADRO Cn1cc(-c2ncc(C[NH2+]CCOc3cccc(Br)c3)cn2)cn1 ZINC000365383994 563781513 /nfs/dbraw/zinc/78/15/13/563781513.db2.gz ISIXTNFSAHZOIB-UHFFFAOYSA-N 1 0 388.269 2.808 20 0 GFADRO C[C@H]1CN(C(=O)Nc2ccnn2Cc2ccccc2Br)CC[C@@H]1[NH3+] ZINC000415520652 563781559 /nfs/dbraw/zinc/78/15/59/563781559.db2.gz IWAOMYPOXLVVTC-WFASDCNBSA-N 1 0 392.301 2.895 20 0 GFADRO C[C@H]1C[C@H](NC(=O)Nc2ccnn2Cc2ccccc2Br)CC[NH2+]1 ZINC000415525743 563781806 /nfs/dbraw/zinc/78/18/06/563781806.db2.gz XAKQMLSZHPRAEZ-GXTWGEPZSA-N 1 0 392.301 2.956 20 0 GFADRO C[C@H]([NH2+]CCNS(=O)(=O)c1ccc(Cl)cc1F)C1CCSCC1 ZINC000442867456 563781947 /nfs/dbraw/zinc/78/19/47/563781947.db2.gz LPZWFYVFXJZUIF-NSHDSACASA-N 1 0 380.938 2.879 20 0 GFADRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)Nc1cccc(Cl)c1SCC(F)F ZINC000415523549 563782029 /nfs/dbraw/zinc/78/20/29/563782029.db2.gz NJSOBICQYXJLDF-VHSXEESVSA-N 1 0 391.871 2.831 20 0 GFADRO C[C@H]1CN(C(=O)Nc2ccnn2Cc2ccccc2Br)[C@@H](C)C[NH2+]1 ZINC000415523773 563782106 /nfs/dbraw/zinc/78/21/06/563782106.db2.gz QTWNRMZUSXMRRA-STQMWFEESA-N 1 0 392.301 2.908 20 0 GFADRO C[NH2+]CCN(C)C(=O)C(=O)Nc1cc(Cl)ccc1SCC(F)(F)F ZINC000415552579 563784448 /nfs/dbraw/zinc/78/44/48/563784448.db2.gz ZOZYZXTZYNOTQX-UHFFFAOYSA-N 1 0 383.823 2.611 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)Nc2cccc(Cl)c2SCC(F)F)C1 ZINC000415565476 563784557 /nfs/dbraw/zinc/78/45/57/563784557.db2.gz IKONDMFHZRHYTE-UWVGGRQHSA-N 1 0 391.871 2.831 20 0 GFADRO COC[C@H](C)Oc1ccc(Cl)cc1NC(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000415563573 563784605 /nfs/dbraw/zinc/78/46/05/563784605.db2.gz PLONQYCWNWFNKT-IINYFYTJSA-N 1 0 377.819 2.872 20 0 GFADRO C[C@@H]1CN(C(=O)C(=O)Nc2cccc(Cl)c2SCC(F)F)[C@H](C)C[NH2+]1 ZINC000415577225 563785185 /nfs/dbraw/zinc/78/51/85/563785185.db2.gz YWLRSYONWSBZJQ-NXEZZACHSA-N 1 0 391.871 2.845 20 0 GFADRO COc1cc(NC(=O)N[C@H]2CC[NH2+]C2)c(Br)cc1Br ZINC000415586738 563785607 /nfs/dbraw/zinc/78/56/07/563785607.db2.gz NJQFJIYLIFKEFE-ZETCQYMHSA-N 1 0 393.079 2.704 20 0 GFADRO CC[N@H+](Cc1ccc(Br)c(Br)c1)[C@H]1CCNC1=O ZINC000442969907 563786046 /nfs/dbraw/zinc/78/60/46/563786046.db2.gz ZCAYMFOIFXUDAU-LBPRGKRZSA-N 1 0 376.092 2.922 20 0 GFADRO COC(=O)c1cc(NC(=O)N2CC[NH2+]C(C)(C)C2)cc(Br)c1F ZINC000415595538 563786381 /nfs/dbraw/zinc/78/63/81/563786381.db2.gz AUJYFRALKYMZOL-UHFFFAOYSA-N 1 0 388.237 2.591 20 0 GFADRO COC(=O)c1c(C)c(NC(=O)NC2(C[NH3+])CCCC2)ccc1Br ZINC000415605824 563787406 /nfs/dbraw/zinc/78/74/06/563787406.db2.gz XQRNGGBZDHHVRS-UHFFFAOYSA-N 1 0 384.274 2.937 20 0 GFADRO COC(=O)c1cccc(NC(=O)N2CCC[C@H](CC[NH3+])C2)c1Br ZINC000415604529 563787451 /nfs/dbraw/zinc/78/74/51/563787451.db2.gz FZVDHDDCSUBTJT-LLVKDONJSA-N 1 0 384.274 2.828 20 0 GFADRO Cc1csc(Sc2ccc(NC(=O)C(=O)N[C@H](C)C[NH3+])cc2Cl)n1 ZINC000415603820 563787615 /nfs/dbraw/zinc/78/76/15/563787615.db2.gz UXZRLBPGCZGRDO-MRVPVSSYSA-N 1 0 384.914 2.658 20 0 GFADRO CO[C@H]1CCN(C(=O)Nc2cc3c(cc2Br)CCC3)[C@@H](C[NH3+])C1 ZINC000415615478 563788239 /nfs/dbraw/zinc/78/82/39/563788239.db2.gz OKVODWIWPYLANW-KGLIPLIRSA-N 1 0 382.302 2.908 20 0 GFADRO COC(=O)c1cc(F)c(Br)cc1NC(=O)NCC[C@H]1CCC[NH2+]1 ZINC000415630271 563788649 /nfs/dbraw/zinc/78/86/49/563788649.db2.gz CRRUURITMCTBSZ-SECBINFHSA-N 1 0 388.237 2.638 20 0 GFADRO COC(=O)c1cc(F)c(Br)cc1NC(=O)NC1CCC([NH3+])CC1 ZINC000415631619 563788888 /nfs/dbraw/zinc/78/88/88/563788888.db2.gz MDFULNKMKRWKCL-UHFFFAOYSA-N 1 0 388.237 2.766 20 0 GFADRO C[C@H]1CN(C(=O)Nc2cc(Br)cc(C(=O)N3CCCC3)c2)CC[NH2+]1 ZINC000415635996 563789358 /nfs/dbraw/zinc/78/93/58/563789358.db2.gz KMKGPKTZNGBTGC-LBPRGKRZSA-N 1 0 395.301 2.511 20 0 GFADRO CC(C)(C[NH3+])NC(=O)Nc1cc(Br)cc(C(=O)N2CCCC2)c1 ZINC000415644633 563790200 /nfs/dbraw/zinc/79/02/00/563790200.db2.gz ZSDDXPRMSWBNBB-UHFFFAOYSA-N 1 0 383.290 2.544 20 0 GFADRO CC(C)(C)[C@H](C[NH3+])NC(=O)Nc1ccc(-c2ccc(Br)s2)nn1 ZINC000415641376 563790258 /nfs/dbraw/zinc/79/02/58/563790258.db2.gz YBFUTUQDVHYQQF-NSHDSACASA-N 1 0 398.330 3.463 20 0 GFADRO OCC1([C@H]([NH2+]Cc2cnc3ccc(Br)cn23)[C@H]2CCCO2)CCC1 ZINC000365661166 563790731 /nfs/dbraw/zinc/79/07/31/563790731.db2.gz JGNMLIOEDZDCPP-NVXWUHKLSA-N 1 0 394.313 2.897 20 0 GFADRO [NH3+][C@H]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(Br)c3ccccc23)C1 ZINC000415661103 563790782 /nfs/dbraw/zinc/79/07/82/563790782.db2.gz XAXKGDYJPKQXLN-NWDGAFQWSA-N 1 0 390.281 2.927 20 0 GFADRO Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000292605730 563791152 /nfs/dbraw/zinc/79/11/52/563791152.db2.gz UAUMGGNMZSGUMN-NWDGAFQWSA-N 1 0 378.826 2.806 20 0 GFADRO Cc1cc(Br)cc(NC(=O)C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)c1 ZINC000415680329 563791286 /nfs/dbraw/zinc/79/12/86/563791286.db2.gz ULVJHDBCSHMNCT-AWEZNQCLSA-N 1 0 382.302 2.590 20 0 GFADRO C[C@@]1(C[NH3+])CCN(C(=O)C(=O)Nc2ccc(-c3ccc(Cl)s3)nc2)C1 ZINC000415685998 563791439 /nfs/dbraw/zinc/79/14/39/563791439.db2.gz HLBMTOHYGFQNJF-KRWDZBQOSA-N 1 0 378.885 2.599 20 0 GFADRO COC(=O)c1cc(NC(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)c(C)cc1Br ZINC000415706625 563792199 /nfs/dbraw/zinc/79/21/99/563792199.db2.gz LJVHHHTYBGRXDA-GFCCVEGCSA-N 1 0 396.285 2.902 20 0 GFADRO COC(=O)c1cc(NC(=O)NCC[C@H]2CCC[NH2+]2)c(C)cc1Br ZINC000415711569 563792544 /nfs/dbraw/zinc/79/25/44/563792544.db2.gz SVLJPCXASZSOBA-LLVKDONJSA-N 1 0 384.274 2.808 20 0 GFADRO COC(=O)c1cc(NC(=O)N2CCCC[C@@H]2C[NH3+])c(C)cc1Br ZINC000415709205 563792549 /nfs/dbraw/zinc/79/25/49/563792549.db2.gz OZMZDUPTOFLJOC-LLVKDONJSA-N 1 0 384.274 2.889 20 0 GFADRO Cc1ccc(I)c(C(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)c1 ZINC000292659676 563792751 /nfs/dbraw/zinc/79/27/51/563792751.db2.gz YKDUZLDDPRVHEE-INIZCTEOSA-N 1 0 384.261 2.767 20 0 GFADRO CS(=O)(=O)N[C@H]1CCC[C@H]1C[NH2+]Cc1ccc(Sc2ccccn2)o1 ZINC000292698087 563793621 /nfs/dbraw/zinc/79/36/21/563793621.db2.gz NWKWOYDVXIVIJW-ZFWWWQNUSA-N 1 0 381.523 2.633 20 0 GFADRO C[C@H](CCCC[NH3+])NC(=O)C(=O)Nc1ccc(Br)c(Cl)c1 ZINC000415736600 563794001 /nfs/dbraw/zinc/79/40/01/563794001.db2.gz AVOLVTDTKYWZJP-SECBINFHSA-N 1 0 376.682 2.675 20 0 GFADRO COc1cc(Cl)c(C)cc1NC(=O)CN1CC[NH+]([C@H]2CCSC2)CC1 ZINC000365863702 563795443 /nfs/dbraw/zinc/79/54/43/563795443.db2.gz TVGRMCMEUZPSPR-AWEZNQCLSA-N 1 0 383.945 2.719 20 0 GFADRO Cc1ccc(Br)c(NC(=O)C(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)c1 ZINC000415770073 563795737 /nfs/dbraw/zinc/79/57/37/563795737.db2.gz XZJKWHWJNLENDK-AWEZNQCLSA-N 1 0 394.313 2.544 20 0 GFADRO C[C@@H](NC(=O)C(=O)Nc1cc(Cl)ccc1SCC(F)(F)F)[C@H](C)[NH3+] ZINC000415778308 563796226 /nfs/dbraw/zinc/79/62/26/563796226.db2.gz FRTOUWJBYZVPHY-JGVFFNPUSA-N 1 0 383.823 2.785 20 0 GFADRO Cc1ccc(SCC(F)(F)F)c(NC(=O)C(=O)N(C)C2CC([NH3+])C2)c1 ZINC000415792749 563796880 /nfs/dbraw/zinc/79/68/80/563796880.db2.gz SHEJBXPIEFSRAK-UHFFFAOYSA-N 1 0 375.416 2.536 20 0 GFADRO O=C(Nc1cc(Cl)cc(C(F)(F)F)c1)C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000415797752 563796989 /nfs/dbraw/zinc/79/69/89/563796989.db2.gz WNFSGWYWMVBYRC-ZANVPECISA-N 1 0 375.778 2.508 20 0 GFADRO [NH3+][C@H]1CCC[C@@H](CNC(=O)C(=O)Nc2ccc(Br)c(Cl)c2)C1 ZINC000415798046 563797019 /nfs/dbraw/zinc/79/70/19/563797019.db2.gz AXVIYEUHCOUGCV-ZJUUUORDSA-N 1 0 388.693 2.675 20 0 GFADRO C[C@@H](CCCC[NH3+])NC(=O)C(=O)Nc1cccc2cncc(Br)c21 ZINC000415797459 563797037 /nfs/dbraw/zinc/79/70/37/563797037.db2.gz WBTKUWRGANNWOY-NSHDSACASA-N 1 0 393.285 2.570 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000415810645 563797530 /nfs/dbraw/zinc/79/75/30/563797530.db2.gz XRVDAZQLJWFDFN-CQSZACIVSA-N 1 0 382.302 2.653 20 0 GFADRO O=C(NCCC[C@H]1CCC[NH2+]1)C(=O)Nc1cc2c(cc1Br)CCC2 ZINC000415805743 563797620 /nfs/dbraw/zinc/79/76/20/563797620.db2.gz NTFMBQIQTVQERS-CQSZACIVSA-N 1 0 394.313 2.525 20 0 GFADRO O=C(Nc1cc(Cl)c(Cl)cc1F)C(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000415812954 563797626 /nfs/dbraw/zinc/79/76/26/563797626.db2.gz BHWUUJIYIANZQH-WDEREUQCSA-N 1 0 388.270 2.919 20 0 GFADRO [NH3+]C[C@@H](NC(=O)C(=O)Nc1ccc(Cl)c(OC(F)F)c1)C1CCCC1 ZINC000415832747 563798780 /nfs/dbraw/zinc/79/87/80/563798780.db2.gz HGIBBUQKPQJNRI-GFCCVEGCSA-N 1 0 375.803 2.514 20 0 GFADRO Cc1ccc2nc(NC(=O)CN3CC[NH+]([C@@H]4CCSC4)CC3)sc2c1 ZINC000366099044 563798857 /nfs/dbraw/zinc/79/88/57/563798857.db2.gz WTEOBXNJXGAYCP-CQSZACIVSA-N 1 0 376.551 2.666 20 0 GFADRO O=C(N[C@@H](CCO)c1ccc(Cl)c(Cl)c1)N[C@H]1CCc2[nH]cnc2C1 ZINC000366095702 563799092 /nfs/dbraw/zinc/79/90/92/563799092.db2.gz UQRKWKIHWOJQCA-FZMZJTMJSA-N 1 0 383.279 2.997 20 0 GFADRO Cc1ccc(-c2csc(NC(=O)C(=O)N[C@H](C[NH3+])C3CCCC3)n2)s1 ZINC000415852014 563799590 /nfs/dbraw/zinc/79/95/90/563799590.db2.gz ZULJIRMMTFOURF-GFCCVEGCSA-N 1 0 378.523 2.752 20 0 GFADRO Cc1ccc(-c2csc(NC(=O)C(=O)N[C@@H](C[NH3+])C3CCCC3)n2)s1 ZINC000415852015 563799818 /nfs/dbraw/zinc/79/98/18/563799818.db2.gz ZULJIRMMTFOURF-LBPRGKRZSA-N 1 0 378.523 2.752 20 0 GFADRO O=C(NCCC1=CC[NH2+]CC1)C(=O)Nc1ccc(C(F)(F)F)cc1Cl ZINC000415884005 563800343 /nfs/dbraw/zinc/80/03/43/563800343.db2.gz ZSKFYQFNBDNWDO-UHFFFAOYSA-N 1 0 375.778 2.723 20 0 GFADRO C[C@H](O)[C@H]1C[C@H](C)CC[N@@H+]1CC(=O)N(C)Cc1cc(Br)cs1 ZINC000443327165 563801459 /nfs/dbraw/zinc/80/14/59/563801459.db2.gz FMVZNYHWXOSVMV-TYNCELHUSA-N 1 0 389.359 2.950 20 0 GFADRO COCCN(Cc1ccc(F)cc1Cl)C(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000416016690 563802372 /nfs/dbraw/zinc/80/23/72/563802372.db2.gz XKHGROCKXQSPTK-ZDUSSCGKSA-N 1 0 385.789 2.917 20 0 GFADRO O=C(NCCCCn1cc(Br)cn1)Nc1ccc2c(c1)C[NH2+]C2 ZINC000416019291 563802685 /nfs/dbraw/zinc/80/26/85/563802685.db2.gz XMQCKYZVGZRBMZ-UHFFFAOYSA-N 1 0 378.274 2.851 20 0 GFADRO [NH3+]CC[C@H](NC(=O)N[C@@]1(Cc2ccc(Cl)cc2)CCOC1)C(F)(F)F ZINC000416038644 563804055 /nfs/dbraw/zinc/80/40/55/563804055.db2.gz DZCQPTBNNVTRKL-DZGCQCFKSA-N 1 0 379.810 2.621 20 0 GFADRO COCC[N@@H+]1CC[C@H](NC(=O)Cc2cc(Cl)c(Br)cc2F)C1 ZINC000416151678 563807068 /nfs/dbraw/zinc/80/70/68/563807068.db2.gz RRYWVDJPSRTAMB-NSHDSACASA-N 1 0 393.684 2.621 20 0 GFADRO C[C@@H]1C[N@@H+](CCCCNC(=O)Cc2cccc(Br)c2)C[C@H](C)O1 ZINC000443668256 563809421 /nfs/dbraw/zinc/80/94/21/563809421.db2.gz SSVIVDICKTYMAV-GASCZTMLSA-N 1 0 383.330 2.997 20 0 GFADRO CCS(=O)(=O)c1ccc(CNC(=O)C[C@@H](c2ccccc2)[NH+](C)C)s1 ZINC000416224182 563810510 /nfs/dbraw/zinc/81/05/10/563810510.db2.gz QFTKVQSXSMXZJT-INIZCTEOSA-N 1 0 380.535 2.851 20 0 GFADRO CSCc1cnc(C[NH2+][C@@H](C)CN2CCN(c3ccccn3)CC2)s1 ZINC000293457868 563813399 /nfs/dbraw/zinc/81/33/99/563813399.db2.gz CYEMOLKPQONANM-HNNXBMFYSA-N 1 0 377.583 2.701 20 0 GFADRO O=C(c1nc(C2CC2)ncc1Br)N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000366556310 563813630 /nfs/dbraw/zinc/81/36/30/563813630.db2.gz PHBCOXZQFCZWOU-YDHLFZDLSA-N 1 0 391.313 2.673 20 0 GFADRO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)CCOc1ccc(Cl)cc1Cl ZINC000416288043 563813725 /nfs/dbraw/zinc/81/37/25/563813725.db2.gz CVEOHLCCOLXYCB-STQMWFEESA-N 1 0 375.296 2.676 20 0 GFADRO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)Cc1cc(Cl)ccc1Br ZINC000416316472 563816014 /nfs/dbraw/zinc/81/60/14/563816014.db2.gz VZSIFXNNBJBBGP-VXGBXAGGSA-N 1 0 389.721 2.559 20 0 GFADRO CCOC1CC(O)(C[NH2+]Cc2cnn(-c3ccc(Br)cc3)c2)C1 ZINC000444007789 563817808 /nfs/dbraw/zinc/81/78/08/563817808.db2.gz CFFHJFXZRQGWNL-UHFFFAOYSA-N 1 0 380.286 2.654 20 0 GFADRO COC(=O)c1c(Cl)cccc1S(=O)(=O)NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000416369117 563818145 /nfs/dbraw/zinc/81/81/45/563818145.db2.gz HVWUAEBUXHLMPQ-OLZOCXBDSA-N 1 0 388.917 2.525 20 0 GFADRO O=C1CO[C@H]2CC[N@@H+](CCSc3ccnc4cc(Cl)ccc43)C[C@@H]2N1 ZINC000366791465 563820238 /nfs/dbraw/zinc/82/02/38/563820238.db2.gz RGPMKNIBOARRTL-HOTGVXAUSA-N 1 0 377.897 2.570 20 0 GFADRO COc1ccc(CC[NH2+][C@@H]2CCC[C@@H](S(C)(=O)=O)C2)c(Cl)c1OC ZINC000293606352 563820460 /nfs/dbraw/zinc/82/04/60/563820460.db2.gz JPMSWCUSJVQGTK-ZIAGYGMSSA-N 1 0 375.918 2.845 20 0 GFADRO COc1ccc(CC[NH2+][C@H]2CCC[C@@H](S(C)(=O)=O)C2)c(Cl)c1OC ZINC000293606348 563820466 /nfs/dbraw/zinc/82/04/66/563820466.db2.gz JPMSWCUSJVQGTK-UONOGXRCSA-N 1 0 375.918 2.845 20 0 GFADRO Cc1cc(Br)cc(S(=O)(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)c1 ZINC000444079285 563820697 /nfs/dbraw/zinc/82/06/97/563820697.db2.gz BMIAKIRRIFAQQP-CYBMUJFWSA-N 1 0 375.332 2.720 20 0 GFADRO COC(=O)c1c(Cl)cccc1S(=O)(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000416405517 563823653 /nfs/dbraw/zinc/82/36/53/563823653.db2.gz CAIZAMXZJWRTDL-ZDUSSCGKSA-N 1 0 388.917 2.622 20 0 GFADRO C[C@H](NC(=O)[C@H]1C[C@]12CC[NH2+]C2)c1nc(-c2ccc(Br)cc2)no1 ZINC000444201221 563824206 /nfs/dbraw/zinc/82/42/06/563824206.db2.gz DIOJUKNSLYSCIB-GDKCJGSASA-N 1 0 391.269 2.676 20 0 GFADRO CCOC(=O)[C@H](Cc1cc(Cl)cc(Cl)c1)NC(=O)c1coc(C[NH3+])c1 ZINC000444215084 563825145 /nfs/dbraw/zinc/82/51/45/563825145.db2.gz SHOOPEXBEDDTTR-HNNXBMFYSA-N 1 0 385.247 2.949 20 0 GFADRO Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH2+][C@H]1CCS(=O)(=O)[C@H]1C ZINC000294010663 563829541 /nfs/dbraw/zinc/82/95/41/563829541.db2.gz UDIUXHBHVUYKJL-KSSFIOAISA-N 1 0 381.929 2.867 20 0 GFADRO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@@H]1CCC(=O)N[C@@H]1C1CC1 ZINC000367065058 563829590 /nfs/dbraw/zinc/82/95/90/563829590.db2.gz DNECNJSLBABKTL-PZDGAKPMSA-N 1 0 394.313 2.813 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2cccc(Cl)c2C(=O)OC)C[C@H]1C ZINC000416450955 563830355 /nfs/dbraw/zinc/83/03/55/563830355.db2.gz AOYSMRMZVWLUQG-CHWSQXEVSA-N 1 0 388.917 2.620 20 0 GFADRO O=C(Cc1cc(Br)ccc1F)NC[C@H]1CN2CCCC[C@H]2CO1 ZINC000367142518 563833133 /nfs/dbraw/zinc/83/31/33/563833133.db2.gz XQOGXOZJMFWZRM-GJZGRUSLSA-N 1 0 385.277 2.500 20 0 GFADRO Cc1ccc(C[NH2+]C[C@H]2CCC[C@]23NC(=O)N(C)C3=O)cc1Br ZINC000367209613 563836172 /nfs/dbraw/zinc/83/61/72/563836172.db2.gz SKWWCOMYSODTEV-DYVFJYSZSA-N 1 0 380.286 2.568 20 0 GFADRO Cc1cc(S(=O)(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)c(F)cc1Br ZINC000416483919 563836489 /nfs/dbraw/zinc/83/64/89/563836489.db2.gz OXUCUUVGIPWAJC-OAHLLOKOSA-N 1 0 391.306 2.613 20 0 GFADRO C[C@@H](c1ccc(Br)cc1)N1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000367295960 563839687 /nfs/dbraw/zinc/83/96/87/563839687.db2.gz NBKWCZRYHLSRND-GUYCJALGSA-N 1 0 380.330 2.924 20 0 GFADRO C[NH+](C)CCN(Cc1ccsc1)S(=O)(=O)c1c(F)cc(F)cc1F ZINC000416555947 563847700 /nfs/dbraw/zinc/84/77/00/563847700.db2.gz FQHLHURTUNINNO-UHFFFAOYSA-N 1 0 378.441 2.918 20 0 GFADRO C[N@@H+]1CCC[C@@H](CCNS(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)C1 ZINC000416569844 563849953 /nfs/dbraw/zinc/84/99/53/563849953.db2.gz YVHNXLWXVHWNFJ-NSHDSACASA-N 1 0 382.860 2.952 20 0 GFADRO CO[C@@H]1[C@H](C)[C@@H]([NH2+]C[C@@H]2CCN(S(=O)(=O)c3cccs3)C2)C12CCC2 ZINC000367615459 563850663 /nfs/dbraw/zinc/85/06/63/563850663.db2.gz KSXCHKOBMJSIKR-YALNPMBYSA-N 1 0 384.567 2.552 20 0 GFADRO C[C@@H](C[NH2+][C@@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1)CS(C)(=O)=O ZINC000367613703 563850721 /nfs/dbraw/zinc/85/07/21/563850721.db2.gz DFAYFEVLYRSKCP-XJKSGUPXSA-N 1 0 379.444 2.677 20 0 GFADRO CCCOc1ccc(S(=O)(=O)N2C[C@@H](SC)[C@H]([NH+]3CCCC3)C2)cc1 ZINC000445715772 563852545 /nfs/dbraw/zinc/85/25/45/563852545.db2.gz IQTNWNUHAAFXJK-QZTJIDSGSA-N 1 0 384.567 2.676 20 0 GFADRO NC(=O)[C@H](c1ccccc1)[NH+]1CCC(Cn2cc(Br)cn2)CC1 ZINC000367789283 563855246 /nfs/dbraw/zinc/85/52/46/563855246.db2.gz CYLADRZFFVAYID-INIZCTEOSA-N 1 0 377.286 2.584 20 0 GFADRO CCC[C@]1(C)C(=O)NCC[N@H+]1CCC(=O)Nc1ccc(Br)cc1 ZINC000445887607 563855649 /nfs/dbraw/zinc/85/56/49/563855649.db2.gz UEAPFWSZWVNWRA-QGZVFWFLSA-N 1 0 382.302 2.768 20 0 GFADRO Cc1nc(Cl)ccc1S(=O)(=O)N1C[C@@H](C[NH+](C)C)Oc2ccccc21 ZINC000367778388 563855567 /nfs/dbraw/zinc/85/55/67/563855567.db2.gz VBAHABHSBBFSQB-CYBMUJFWSA-N 1 0 381.885 2.561 20 0 GFADRO CCOC(=O)C1(NC(=O)CSCc2cccc(Cl)c2)CC[NH+](C)CC1 ZINC000367789727 563855628 /nfs/dbraw/zinc/85/56/28/563855628.db2.gz FJNFVGQORWEVCH-UHFFFAOYSA-N 1 0 384.929 2.717 20 0 GFADRO COC(=O)c1ccc(C[NH+]2CCC(Cn3cc(Br)cn3)CC2)o1 ZINC000367795538 563856064 /nfs/dbraw/zinc/85/60/64/563856064.db2.gz XWEFSAFIEHUNJZ-UHFFFAOYSA-N 1 0 382.258 2.937 20 0 GFADRO C[C@H](c1ncc(Br)cn1)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000367856525 563857901 /nfs/dbraw/zinc/85/79/01/563857901.db2.gz LWZOQTGDKUQZIW-CQSZACIVSA-N 1 0 383.334 2.734 20 0 GFADRO Cc1cc(C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)nn1-c1ccc(Br)cc1 ZINC000367988800 563861587 /nfs/dbraw/zinc/86/15/87/563861587.db2.gz UZCJGOCLHPDXEA-ZIAGYGMSSA-N 1 0 389.297 2.625 20 0 GFADRO CC(C)(C)c1csc([C@@H]2CN(C[C@@H](O)COCC(F)(F)F)CCO2)n1 ZINC000368031353 563862043 /nfs/dbraw/zinc/86/20/43/563862043.db2.gz UTXGEKOZWIYTPF-NEPJUHHUSA-N 1 0 382.448 2.754 20 0 GFADRO O=C1NC(=O)C2(CCC([NH2+]C3CC(c4ccc(Br)cc4)C3)CC2)N1 ZINC000368044475 563862704 /nfs/dbraw/zinc/86/27/04/563862704.db2.gz SGWJIEZYZDJFEE-UHFFFAOYSA-N 1 0 392.297 2.806 20 0 GFADRO O=S(=O)(c1sccc1Br)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000368109726 563864008 /nfs/dbraw/zinc/86/40/08/563864008.db2.gz PLWBKUPRCISSMH-LLVKDONJSA-N 1 0 379.345 2.521 20 0 GFADRO CC(C)(NC(=O)NCC[N@@H+]1CCCOCC1)c1ccc(Br)cc1 ZINC000446505354 563865080 /nfs/dbraw/zinc/86/50/80/563865080.db2.gz ATOTYQGMLDRXSN-UHFFFAOYSA-N 1 0 384.318 2.706 20 0 GFADRO O=C(NCCc1c[nH]c2cccc(Br)c12)[C@H]1C[NH+]2CCC1CC2 ZINC000368183567 563865527 /nfs/dbraw/zinc/86/55/27/563865527.db2.gz HOPCHFWGDTZYEW-AWEZNQCLSA-N 1 0 376.298 2.931 20 0 GFADRO O=C(NCCc1c[nH]c2cccc(Br)c12)[C@@H]1C[NH+]2CCC1CC2 ZINC000368183570 563865659 /nfs/dbraw/zinc/86/56/59/563865659.db2.gz HOPCHFWGDTZYEW-CQSZACIVSA-N 1 0 376.298 2.931 20 0 GFADRO C[C@H](NC(=O)[C@H](C)[N@@H+]1CC[C@@H]2C(=O)NC[C@H]2C1)c1ccc(Cl)cc1Cl ZINC000368239786 563866797 /nfs/dbraw/zinc/86/67/97/563866797.db2.gz HKJITEOZQXZLKK-ASHKBJFXSA-N 1 0 384.307 2.627 20 0 GFADRO COC(=O)[C@@H]1CN(C(=O)Nc2cc(Cl)c(Cl)cc2F)CC[N@H+](C)C1 ZINC000417065139 563866972 /nfs/dbraw/zinc/86/69/72/563866972.db2.gz AQOPVXGPIBGISA-VIFPVBQESA-N 1 0 378.231 2.701 20 0 GFADRO C[C@H]1C[C@@H](NC(=O)C(=O)Nc2ccc(Br)c(Cl)c2)CC[N@@H+]1C ZINC000446741193 563868006 /nfs/dbraw/zinc/86/80/06/563868006.db2.gz KSWBBFDRGNQNKD-ONGXEEELSA-N 1 0 388.693 2.640 20 0 GFADRO CO[C@@H]1CCN(C(=O)N[C@H](C)Cc2ccc(Br)cc2)[C@@H](C[NH3+])C1 ZINC000417097959 563868051 /nfs/dbraw/zinc/86/80/51/563868051.db2.gz FCPSFTBWQDGZKH-DAXOMENPSA-N 1 0 384.318 2.528 20 0 GFADRO COC[C@H]([NH2+]CCCNC(=O)c1ccc(Br)cc1)C1CCOCC1 ZINC000446841669 563869266 /nfs/dbraw/zinc/86/92/66/563869266.db2.gz AHRJFAXWSUGHMO-KRWDZBQOSA-N 1 0 399.329 2.600 20 0 GFADRO Cc1nc(C(=O)N[C@H]2CC23CC[NH2+]CC3)nn1-c1c(Cl)cccc1Cl ZINC000368384517 563869610 /nfs/dbraw/zinc/86/96/10/563869610.db2.gz JJXDHGGAVCVMQQ-ZDUSSCGKSA-N 1 0 380.279 2.754 20 0 GFADRO C[C@H](NC(=O)N[C@@H]1CC[C@@H](C[NH3+])C1)c1cc2c(cc1Br)OCCO2 ZINC000417174059 563870498 /nfs/dbraw/zinc/87/04/98/563870498.db2.gz HYANQFMBTLMWAW-QJPTWQEYSA-N 1 0 398.301 2.708 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)N[C@@H](c2ccc(Br)cc2)C2CCC2)CCO1 ZINC000417181622 563870874 /nfs/dbraw/zinc/87/08/74/563870874.db2.gz IGGJMMSUBITZAS-JKSUJKDBSA-N 1 0 382.302 2.659 20 0 GFADRO O=C(NCc1ccc(O)c(Br)c1)N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000368446458 563871314 /nfs/dbraw/zinc/87/13/14/563871314.db2.gz XEIISTVBMUVSGM-OFQRWUPVSA-N 1 0 394.313 2.780 20 0 GFADRO C[C@H](NC(=O)N[C@H]1C[NH2+]CC[C@H]1C)c1cc2c(cc1Br)OCCO2 ZINC000417185290 563871531 /nfs/dbraw/zinc/87/15/31/563871531.db2.gz UATJGISRKYARDV-SUNKGSAMSA-N 1 0 398.301 2.579 20 0 GFADRO C[C@H](NC(=O)N1CC[C@H]([NH3+])[C@@H](C)C1)c1cc2c(cc1Br)OCCO2 ZINC000417187308 563871897 /nfs/dbraw/zinc/87/18/97/563871897.db2.gz WMNABYUGPLPEQM-MJVIPROJSA-N 1 0 398.301 2.660 20 0 GFADRO CN(C)c1ncc(C[NH2+][C@H]2CCN(c3cccc(Br)c3)C2=O)s1 ZINC000447066223 563873720 /nfs/dbraw/zinc/87/37/20/563873720.db2.gz DBJGDUMFCPMGRQ-AWEZNQCLSA-N 1 0 395.326 2.867 20 0 GFADRO O=C(NCCC[NH2+]C1CC1)NC[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000417263847 563875853 /nfs/dbraw/zinc/87/58/53/563875853.db2.gz QXFYXIWTBKXPNY-CQSZACIVSA-N 1 0 395.345 2.717 20 0 GFADRO OCCn1ncc2c1CCC[C@@H]2[NH2+]Cc1cc(Br)cc2c1OCC2 ZINC000368644846 563876321 /nfs/dbraw/zinc/87/63/21/563876321.db2.gz YKDJUIKTNBNELR-INIZCTEOSA-N 1 0 392.297 2.740 20 0 GFADRO O=C(Nc1nnc(C(F)(F)F)s1)NC1CC[NH+](Cc2cccs2)CC1 ZINC000368795740 563878989 /nfs/dbraw/zinc/87/89/89/563878989.db2.gz RTYRHUYEIFNCTO-UHFFFAOYSA-N 1 0 391.444 3.405 20 0 GFADRO CC[NH2+][C@H](C)CNC(=O)NCc1cc(Br)ccc1OC(F)F ZINC000417402417 563879130 /nfs/dbraw/zinc/87/91/30/563879130.db2.gz DXGQPEQYWTYBCY-SECBINFHSA-N 1 0 380.233 2.848 20 0 GFADRO COc1ccc(CNC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1Br ZINC000417426985 563880047 /nfs/dbraw/zinc/88/00/47/563880047.db2.gz HZEMTMJCUUPWAT-PBWFPOADSA-N 1 0 382.302 2.882 20 0 GFADRO C[C@@H](CCCC[NH3+])NC(=O)NCCc1ccc(I)s1 ZINC000417434758 563880071 /nfs/dbraw/zinc/88/00/71/563880071.db2.gz ANWJBHPZDGYIMK-JTQLQIEISA-N 1 0 395.310 2.712 20 0 GFADRO CC[NH2+]CC1CCN(C(=O)NCc2ccc(OC)c(Br)c2)CC1 ZINC000417427912 563880167 /nfs/dbraw/zinc/88/01/67/563880167.db2.gz JYHNHISIJYIDDO-UHFFFAOYSA-N 1 0 384.318 2.989 20 0 GFADRO C[C@H](CC[NH3+])NC(=O)NCC1(c2ccc(Br)cc2)CCOCC1 ZINC000417427768 563880170 /nfs/dbraw/zinc/88/01/70/563880170.db2.gz JQGWZNLJHOVGNA-CYBMUJFWSA-N 1 0 384.318 2.534 20 0 GFADRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)NCC1(c2ccc(Br)cc2)CCOCC1 ZINC000417433423 563880174 /nfs/dbraw/zinc/88/01/74/563880174.db2.gz VRXOODBVNKMROJ-BBRMVZONSA-N 1 0 396.329 2.628 20 0 GFADRO CCCN(C(=O)N[C@@H]1CCN(c2ccc(Br)cc2)C1)[C@@H]1CC[NH2+]C1 ZINC000417475847 563880558 /nfs/dbraw/zinc/88/05/58/563880558.db2.gz BSQZZUXGOCHIAD-NVXWUHKLSA-N 1 0 395.345 2.811 20 0 GFADRO CC(C)C[C@H](C[NH3+])NC(=O)N[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000417480870 563881207 /nfs/dbraw/zinc/88/12/07/563881207.db2.gz MYHYTHOFYUVYAG-LSDHHAIUSA-N 1 0 383.334 2.700 20 0 GFADRO Cn1nc(Br)cc1C(=O)N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC000368902212 563881744 /nfs/dbraw/zinc/88/17/44/563881744.db2.gz BQWBCGOARYWNSE-CQSZACIVSA-N 1 0 377.286 2.529 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)N1CCCC[C@H]1C[NH3+] ZINC000417495219 563881752 /nfs/dbraw/zinc/88/17/52/563881752.db2.gz ZRCPMJDUNHAAAE-AWEZNQCLSA-N 1 0 397.317 2.609 20 0 GFADRO C[C@H](CNC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)Sc1ccc(Br)cc1 ZINC000417577813 563883764 /nfs/dbraw/zinc/88/37/64/563883764.db2.gz MMUIZKGOZCJBDL-JMSVASOKSA-N 1 0 384.343 2.933 20 0 GFADRO [NH3+]C[C@@H](NC(=O)NC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1)C1CC1 ZINC000417574800 563883979 /nfs/dbraw/zinc/88/39/79/563883979.db2.gz RXPAXWIAENFBLM-QGZVFWFLSA-N 1 0 385.339 2.994 20 0 GFADRO [NH3+][C@@H]1CCC[C@H](NC(=O)N[C@@H]2CCN(c3ccccc3Br)C2)C1 ZINC000417590425 563885112 /nfs/dbraw/zinc/88/51/12/563885112.db2.gz BPVKSDFFDJKUCJ-HZSPNIEDSA-N 1 0 381.318 2.597 20 0 GFADRO [NH3+]CC[C@H]1CCCN(C(=O)N[C@@H]2CCN(c3ccccc3Br)C2)C1 ZINC000417592027 563885477 /nfs/dbraw/zinc/88/54/77/563885477.db2.gz DXPXVUIAUJOPNT-HUUCEWRRSA-N 1 0 395.345 2.798 20 0 GFADRO O=C(N[C@H]1CCN(c2ccccc2Br)C1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000417591450 563885561 /nfs/dbraw/zinc/88/55/61/563885561.db2.gz CTHQFFSNMWURKG-ZNMIVQPWSA-N 1 0 393.329 2.564 20 0 GFADRO C[NH2+]C[C@@H]1CCCN(C(=O)N[C@H]2CCN(c3ccccc3Br)C2)C1 ZINC000417605634 563886045 /nfs/dbraw/zinc/88/60/45/563886045.db2.gz YXFGEANCIVZWKL-GJZGRUSLSA-N 1 0 395.345 2.669 20 0 GFADRO O=C(N[C@@H]1CCc2c1ccc(Cl)c2Cl)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000417709725 563887419 /nfs/dbraw/zinc/88/74/19/563887419.db2.gz UBIGNLDIFBJMQZ-BLLLJJGKSA-N 1 0 383.323 2.670 20 0 GFADRO [NH3+]CCN(CCO)C(=O)NCC1(c2ccc(Br)cc2)CCCCC1 ZINC000417714871 563887453 /nfs/dbraw/zinc/88/74/53/563887453.db2.gz HXCHYOYRXLQWEW-UHFFFAOYSA-N 1 0 398.345 2.614 20 0 GFADRO CO[C@@H]1CCN(C(=O)NCC2(c3ccccc3Br)CC2)[C@H](C[NH3+])C1 ZINC000417724529 563887518 /nfs/dbraw/zinc/88/75/18/563887518.db2.gz DWCPDUYXXZNPPM-UONOGXRCSA-N 1 0 396.329 2.628 20 0 GFADRO [NH3+]CC[C@@H](NC(=O)NCC1(c2ccccc2Br)CC1)C(F)F ZINC000417722431 563887627 /nfs/dbraw/zinc/88/76/27/563887627.db2.gz BIUFKGFYNMSERC-GFCCVEGCSA-N 1 0 376.245 2.762 20 0 GFADRO O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)N1CCC(n2cc(Br)cn2)CC1 ZINC000369149875 563887932 /nfs/dbraw/zinc/88/79/32/563887932.db2.gz RBANWUVZPVNXMK-HOCLYGCPSA-N 1 0 396.333 2.619 20 0 GFADRO CC[C@H](CNC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)Cc1cccc(Br)c1 ZINC000417728796 563888143 /nfs/dbraw/zinc/88/81/43/563888143.db2.gz SSTZUHSHQVMNMQ-CWRNSKLLSA-N 1 0 380.330 2.879 20 0 GFADRO C[S@](=O)c1ccc(CC(=O)NC2CC[NH+](Cc3ccsc3)CC2)cc1 ZINC000369161490 563888131 /nfs/dbraw/zinc/88/81/31/563888131.db2.gz FBVMFESNNYBVBM-VWLOTQADSA-N 1 0 376.547 2.809 20 0 GFADRO C[NH2+]C[C@H]1CCCN(C(=O)NC[C@H](C)Oc2ccc(Br)cc2)C1 ZINC000417766783 563888473 /nfs/dbraw/zinc/88/84/73/563888473.db2.gz APRIJTRUYFKFJO-UONOGXRCSA-N 1 0 384.318 2.857 20 0 GFADRO C[C@H](CNC(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1)Oc1cccc(Br)c1 ZINC000417788983 563889301 /nfs/dbraw/zinc/88/93/01/563889301.db2.gz GXDYTYUDCRAEQS-OSRSDYAFSA-N 1 0 396.329 2.985 20 0 GFADRO C[C@H](CNC(=O)NC[C@@]1(C)CCC[NH2+]C1)Oc1cccc(Br)c1 ZINC000417790806 563889334 /nfs/dbraw/zinc/88/93/34/563889334.db2.gz IUJBMXYUYMYIDF-DYVFJYSZSA-N 1 0 384.318 2.905 20 0 GFADRO COCC1(CNC(=O)N[C@@H](C)Cc2ccccc2Br)CC[NH2+]CC1 ZINC000417878890 563890304 /nfs/dbraw/zinc/89/03/04/563890304.db2.gz FACAWCTUWZGYBD-AWEZNQCLSA-N 1 0 398.345 2.696 20 0 GFADRO C[C@H](CN1CCCC1=O)[NH2+]Cc1ccc(F)cc1I ZINC000417874355 563890512 /nfs/dbraw/zinc/89/05/12/563890512.db2.gz KIZNONKNAVDDDQ-SNVBAGLBSA-N 1 0 376.213 2.531 20 0 GFADRO C[C@@H](NC(=O)N1CC[C@H]([NH3+])[C@@H]1C)c1nc(-c2ccc(Br)cc2)no1 ZINC000417882277 563890544 /nfs/dbraw/zinc/89/05/44/563890544.db2.gz DOASWZXQQDFOIY-NRUUGDAUSA-N 1 0 394.273 2.691 20 0 GFADRO C[C@H](Cc1ccc(F)c(Br)c1)NC(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000417891300 563890877 /nfs/dbraw/zinc/89/08/77/563890877.db2.gz BSZQIVHHXFUZMW-BNOWGMLFSA-N 1 0 384.293 2.770 20 0 GFADRO CCCN(C(=O)NCCOc1ncc(Cl)cc1Cl)C1CC[NH2+]CC1 ZINC000417896823 563890895 /nfs/dbraw/zinc/89/08/95/563890895.db2.gz WVIJWFBDJNDBFU-UHFFFAOYSA-N 1 0 375.300 2.941 20 0 GFADRO O=C(NCc1ccc(O)c(Br)c1)NC[C@H]1[NH2+]CCc2ccccc21 ZINC000417906018 563891445 /nfs/dbraw/zinc/89/14/45/563891445.db2.gz ZAUJKYDCXVRDMI-MRXNPFEDSA-N 1 0 390.281 2.841 20 0 GFADRO COc1ccc(C[NH2+][C@@H]2CCCN(Cc3noc(C)n3)C2)cc1Br ZINC000369269916 563891462 /nfs/dbraw/zinc/89/14/62/563891462.db2.gz KCDLGHUJPZJBFN-CQSZACIVSA-N 1 0 395.301 2.903 20 0 GFADRO [NH3+][C@H]1CCN(C(=O)NCCOc2ccc(Br)cc2C(F)(F)F)C1 ZINC000417951693 563892334 /nfs/dbraw/zinc/89/23/34/563892334.db2.gz LTMSHUPLZNAXDK-JTQLQIEISA-N 1 0 396.207 2.589 20 0 GFADRO COc1cc(C[NH2+][C@H](CO)[C@@H]2CCCO2)cc(Br)c1OC(F)F ZINC000447991045 563892396 /nfs/dbraw/zinc/89/23/96/563892396.db2.gz TUMFHTYQVWANIS-NEPJUHHUSA-N 1 0 396.228 2.689 20 0 GFADRO C[C@H]1C[N@@H+](C2CCN(C(=O)Cc3ccc(Br)s3)CC2)CCO1 ZINC000369334767 563892476 /nfs/dbraw/zinc/89/24/76/563892476.db2.gz IPRTWOGSOFZXNX-LBPRGKRZSA-N 1 0 387.343 2.765 20 0 GFADRO OC[C@@H]([NH2+]Cc1ccc(Br)c(Br)c1)[C@@H]1CCCO1 ZINC000447984153 563892543 /nfs/dbraw/zinc/89/25/43/563892543.db2.gz WPWDYRHXBMAFRS-OLZOCXBDSA-N 1 0 379.092 2.841 20 0 GFADRO CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)NCC[C@H]1CC[NH2+]C1 ZINC000417973735 563893124 /nfs/dbraw/zinc/89/31/24/563893124.db2.gz CIUSEVXDMNABSY-ZENOOKHLSA-N 1 0 384.318 2.824 20 0 GFADRO CC[NH+]1CCC(N(C(=O)c2cc(I)c[nH]2)C2CC2)CC1 ZINC000369365140 563893632 /nfs/dbraw/zinc/89/36/32/563893632.db2.gz YDLNYWLHRBSXAI-UHFFFAOYSA-N 1 0 387.265 2.708 20 0 GFADRO CCn1cncc1C[NH2+][C@H]1CCN(c2ccc(Br)c(C)c2)C1=O ZINC000417986204 563893718 /nfs/dbraw/zinc/89/37/18/563893718.db2.gz DXKPHHCAVIZKBB-INIZCTEOSA-N 1 0 377.286 2.869 20 0 GFADRO COc1cc(Br)ccc1CCCNC(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000417998660 563894277 /nfs/dbraw/zinc/89/42/77/563894277.db2.gz HIXJOWZTJXNYHB-HOCLYGCPSA-N 1 0 396.329 2.784 20 0 GFADRO [NH3+][C@@H](CNC(=O)NC1CCN(Cc2cc(Cl)cc(Cl)c2)CC1)C1CC1 ZINC000417998443 563894393 /nfs/dbraw/zinc/89/43/93/563894393.db2.gz SXRCKTWNXZPRCL-KRWDZBQOSA-N 1 0 385.339 2.994 20 0 GFADRO C[NH2+]C[C@@H]1CCCN1C(=O)NCCc1c[nH]c2ccc(Br)cc12 ZINC000418009259 563895061 /nfs/dbraw/zinc/89/50/61/563895061.db2.gz UGCQIOZLOXSBRO-AWEZNQCLSA-N 1 0 379.302 2.866 20 0 GFADRO [NH3+]C1(CNC(=O)NCc2cc(Br)cc3c2OCC3)CCCCC1 ZINC000418005157 563895176 /nfs/dbraw/zinc/89/51/76/563895176.db2.gz CWMRJCNEZQVFCO-UHFFFAOYSA-N 1 0 382.302 2.845 20 0 GFADRO [NH3+][C@@H]1CCC[C@H](NC(=O)N[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C1 ZINC000418006504 563895197 /nfs/dbraw/zinc/89/51/97/563895197.db2.gz PFNFXTSPMDWMBW-ZETOZRRWSA-N 1 0 385.295 2.668 20 0 GFADRO CCCOC[C@@H](Cc1cccc(Br)c1)NC(=O)N[C@H](C)CC[NH3+] ZINC000418029682 563895941 /nfs/dbraw/zinc/89/59/41/563895941.db2.gz LOJVSKOYWWNMEG-CZUORRHYSA-N 1 0 386.334 2.823 20 0 GFADRO CCCC[C@H](C[NH3+])NC(=O)NCc1cn2cc(Br)cc(C)c2n1 ZINC000418035929 563896291 /nfs/dbraw/zinc/89/62/91/563896291.db2.gz YMCPTLLAYOYEDY-CYBMUJFWSA-N 1 0 382.306 2.722 20 0 GFADRO CCn1c(CNC(=O)N2CC[NH2+][C@H](C)[C@H]2C)nc2cc(Br)ccc21 ZINC000418064109 563897238 /nfs/dbraw/zinc/89/72/38/563897238.db2.gz IWQPEKLSZKSUCS-VXGBXAGGSA-N 1 0 394.317 2.711 20 0 GFADRO CCn1c(CNC(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)nc2cc(Br)ccc21 ZINC000418072937 563897661 /nfs/dbraw/zinc/89/76/61/563897661.db2.gz YXYACNDOKQHCIK-SMDDNHRTSA-N 1 0 394.317 2.616 20 0 GFADRO O=C(N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000418081078 563897887 /nfs/dbraw/zinc/89/78/87/563897887.db2.gz NISOPOWPMBZSEK-KBXCAEBGSA-N 1 0 383.323 2.967 20 0 GFADRO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000418081981 563898019 /nfs/dbraw/zinc/89/80/19/563898019.db2.gz PBLCYUZQVMAHQR-GDLCADMTSA-N 1 0 385.295 2.525 20 0 GFADRO CCS(=O)(=O)c1ccc(CNC(=O)NCc2ccc([C@@H](C)[NH3+])cc2)s1 ZINC000418103491 563898916 /nfs/dbraw/zinc/89/89/16/563898916.db2.gz JBAWXMNDYSAHFJ-GFCCVEGCSA-N 1 0 381.523 2.561 20 0 GFADRO O=C(N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000418110683 563898922 /nfs/dbraw/zinc/89/89/22/563898922.db2.gz JTAFXCUEDQKNRV-HEHGZKQESA-N 1 0 382.277 2.980 20 0 GFADRO O=C(NCCC[C@H]1CCC[NH2+]1)N[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000418106380 563898989 /nfs/dbraw/zinc/89/89/89/563898989.db2.gz XEGAHEPALAHOGG-HZPDHXFCSA-N 1 0 395.345 2.859 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)NCc2cnn(-c3ccc(Br)cc3)c2)C1 ZINC000418097466 563899116 /nfs/dbraw/zinc/89/91/16/563899116.db2.gz YOFBLCRPSBVDDN-TZMCWYRMSA-N 1 0 392.301 2.514 20 0 GFADRO CC[C@@H](NC(=O)N1CCCO[C@H](C[NH3+])C1)c1cc(F)cc(Br)c1 ZINC000418143309 563899864 /nfs/dbraw/zinc/89/98/64/563899864.db2.gz LVQSMSUOPXUXTA-HUUCEWRRSA-N 1 0 388.281 2.799 20 0 GFADRO COCC[N@H+](C)CCCNC(=O)c1cc(Cl)c(Br)cc1F ZINC000448692495 563900281 /nfs/dbraw/zinc/90/02/81/563900281.db2.gz XECSPZWWQGKEPY-UHFFFAOYSA-N 1 0 381.673 2.940 20 0 GFADRO COc1cc(Br)ccc1CNC(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000418153969 563900478 /nfs/dbraw/zinc/90/04/78/563900478.db2.gz VILCTZNVJYSHJI-NWANDNLSSA-N 1 0 382.302 2.727 20 0 GFADRO COC[C@]1(CNC(=O)N[C@H](C)c2ccc(Br)cc2F)CCC[NH2+]1 ZINC000418185676 563900733 /nfs/dbraw/zinc/90/07/33/563900733.db2.gz PFVDHYRMRUGMKH-BDJLRTHQSA-N 1 0 388.281 2.717 20 0 GFADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)c1cc2n(n1)CCC2 ZINC000448816438 563901674 /nfs/dbraw/zinc/90/16/74/563901674.db2.gz PMTVQHIAXNPOFG-UHFFFAOYSA-N 1 0 391.313 2.796 20 0 GFADRO CC[NH+]1CCN([C@H]2CCN(C(=O)c3cc(Br)c(C)cc3C)C2)CC1 ZINC000448924471 563903442 /nfs/dbraw/zinc/90/34/42/563903442.db2.gz IHOPPBPXVOVTEB-INIZCTEOSA-N 1 0 394.357 2.918 20 0 GFADRO CN(C(=O)c1ccc(I)cc1F)[C@@H]1C[NH+]2CCC1CC2 ZINC000448956334 563903833 /nfs/dbraw/zinc/90/38/33/563903833.db2.gz QAUIVRYMSSSHNH-CQSZACIVSA-N 1 0 388.224 2.597 20 0 GFADRO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccccc1-n1cc(Br)cn1 ZINC000448983550 563904379 /nfs/dbraw/zinc/90/43/79/563904379.db2.gz IPFZDWBUXRYVFP-DZGCQCFKSA-N 1 0 389.297 2.944 20 0 GFADRO Cc1cc(C)c(C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)cc1Br ZINC000448976685 563904456 /nfs/dbraw/zinc/90/44/56/563904456.db2.gz OKPXVBQHYXGSRF-CYBMUJFWSA-N 1 0 382.346 2.679 20 0 GFADRO C[C@H](C[NH2+]C[C@@H]1CCN(CC(F)(F)F)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000449091341 563906424 /nfs/dbraw/zinc/90/64/24/563906424.db2.gz PYKGBMOXIKKLIO-KGLIPLIRSA-N 1 0 378.460 2.667 20 0 GFADRO COc1nccnc1C[NH2+]C[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000449101011 563906784 /nfs/dbraw/zinc/90/67/84/563906784.db2.gz YJMKAVZGSZJOTO-ZDUSSCGKSA-N 1 0 377.286 2.864 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]C[C@@H]1CCC[C@H](O)C1 ZINC000449166333 563907238 /nfs/dbraw/zinc/90/72/38/563907238.db2.gz ZUTICUISIIPAHB-ZENOOKHLSA-N 1 0 399.329 2.603 20 0 GFADRO CCN(CC)S(=O)(=O)CC[NH2+]Cc1cnc(CCc2ccccc2)s1 ZINC000449145523 563907259 /nfs/dbraw/zinc/90/72/59/563907259.db2.gz LQUVEVMZEZCPRX-UHFFFAOYSA-N 1 0 381.567 2.690 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1CNC[C@@H](C)[N@H+](C)C1CC1 ZINC000449134861 563907282 /nfs/dbraw/zinc/90/72/82/563907282.db2.gz LVOCRDXXUIARHU-OLZOCXBDSA-N 1 0 398.345 2.535 20 0 GFADRO CS(=O)(=O)c1cccc(C[NH2+][C@H]2CCN(c3ccc(Cl)cc3)C2=O)c1 ZINC000449156670 563907548 /nfs/dbraw/zinc/90/75/48/563907548.db2.gz OENMKSHBLGRHSV-KRWDZBQOSA-N 1 0 378.881 2.639 20 0 GFADRO COC(=O)CC[C@@H]([NH3+])C(=O)N1CCCC[C@@H]1Cc1cccc(Br)c1 ZINC000563169491 564178740 /nfs/dbraw/zinc/17/87/40/564178740.db2.gz ITXPXKGLSDYYSG-HZPDHXFCSA-N 1 0 397.313 2.653 20 0 GFADRO COc1cc(F)cc(C[NH2+]CCNS(=O)(=O)c2ccc(F)cc2Cl)c1 ZINC000449305229 564179613 /nfs/dbraw/zinc/17/96/13/564179613.db2.gz FJCHXAUPXIUUII-UHFFFAOYSA-N 1 0 390.839 2.695 20 0 GFADRO CN(Cc1cnc(-c2c(F)cccc2F)s1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000449335862 564180411 /nfs/dbraw/zinc/18/04/11/564180411.db2.gz KNQMOWRNYQKFJR-LLVKDONJSA-N 1 0 387.477 2.554 20 0 GFADRO C[N@H+](Cc1cnn(-c2ccc(Br)cc2)c1)[C@@H]1CCN2CCO[C@H]1C2 ZINC000449364051 564181935 /nfs/dbraw/zinc/18/19/35/564181935.db2.gz PMFIOGLMUYQWAF-MSOLQXFVSA-N 1 0 391.313 2.540 20 0 GFADRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(I)cc2)[C@H]1n1cccn1 ZINC000449345845 564182454 /nfs/dbraw/zinc/18/24/54/564182454.db2.gz XBXXEYWBPQJAGG-BZUAXINKSA-N 1 0 397.260 2.996 20 0 GFADRO OCCN1CCCC[C@@H]1C[NH2+]Cc1ccnc2c(Br)cccc12 ZINC000449392914 564184770 /nfs/dbraw/zinc/18/47/70/564184770.db2.gz AERFINVWQZNUHO-OAHLLOKOSA-N 1 0 378.314 2.934 20 0 GFADRO CC(=O)c1cc(Br)ccc1OCC(=O)N(CC[NH+](C)C)C1CC1 ZINC000505639211 564186814 /nfs/dbraw/zinc/18/68/14/564186814.db2.gz WROQIQTUVBZVIP-UHFFFAOYSA-N 1 0 383.286 2.583 20 0 GFADRO CC[C@@H](CNS(C)(=O)=O)[NH2+]Cc1ccc(-c2nc3ccccc3s2)o1 ZINC000449441384 564186853 /nfs/dbraw/zinc/18/68/53/564186853.db2.gz GOGRHQUBAIKJKL-LBPRGKRZSA-N 1 0 379.507 2.974 20 0 GFADRO CN(Cc1ccccc1Br)C(=O)C[N@@H+]1CC[C@@H](c2nccn2C)C1 ZINC000563357045 564187317 /nfs/dbraw/zinc/18/73/17/564187317.db2.gz ZQAWZNXZHPHLDH-OAHLLOKOSA-N 1 0 391.313 2.631 20 0 GFADRO COC(=O)c1cc(Br)cc(C(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)c1 ZINC000505660668 564187642 /nfs/dbraw/zinc/18/76/42/564187642.db2.gz SEFBELNKHFAXSW-SFHVURJKSA-N 1 0 395.297 2.794 20 0 GFADRO CO[C@@H]1COCC[C@@H]1C[NH2+][C@H](C)CC(=O)Nc1cccc(Br)c1 ZINC000449463092 564188028 /nfs/dbraw/zinc/18/80/28/564188028.db2.gz WGNPAXVNJTWEOJ-XJKCOSOUSA-N 1 0 385.302 2.807 20 0 GFADRO O=C1CNC(=O)N1CC[NH2+][C@@H](c1ccc(Cl)c(C(F)(F)F)c1)C1CC1 ZINC000538319444 564188187 /nfs/dbraw/zinc/18/81/87/564188187.db2.gz CVMKHHFIGWWYBS-CQSZACIVSA-N 1 0 375.778 2.951 20 0 GFADRO CC[C@@H](CNC(=O)c1c(Br)cnn1C)[N@@H+]1CCc2ccccc2C1 ZINC000449511526 564189270 /nfs/dbraw/zinc/18/92/70/564189270.db2.gz NNUZOQJLAOLSTO-HNNXBMFYSA-N 1 0 391.313 2.749 20 0 GFADRO CCn1cc(C[NH2+]C[C@H](CO)Cc2ccc(OC)c(Br)c2)cn1 ZINC000449596738 564191006 /nfs/dbraw/zinc/19/10/06/564191006.db2.gz CJAFAIGVKMUPQT-CQSZACIVSA-N 1 0 382.302 2.615 20 0 GFADRO Cc1ccc(C[C@@H](CO)C[NH2+]Cc2ccnc(N(C)C)n2)cc1Br ZINC000449601003 564191956 /nfs/dbraw/zinc/19/19/56/564191956.db2.gz QGVHBNJMMKGLSZ-OAHLLOKOSA-N 1 0 393.329 2.554 20 0 GFADRO C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]C[C@H](CO)Cc1cc(Br)ccc1F ZINC000449602134 564192216 /nfs/dbraw/zinc/19/22/16/564192216.db2.gz SVIRJJPSDBRAFC-VFVRVIDISA-N 1 0 385.321 2.812 20 0 GFADRO C[C@@H]1CN(C2CC2)C[C@H]1[NH2+]C[C@@H](CO)Cc1cc(Br)ccc1F ZINC000449602131 564192386 /nfs/dbraw/zinc/19/23/86/564192386.db2.gz SVIRJJPSDBRAFC-FHSNZYRGSA-N 1 0 385.321 2.812 20 0 GFADRO C[NH+](C)CCOCCNC(=O)COc1ccc2cc(Br)ccc2c1 ZINC000538650983 564195665 /nfs/dbraw/zinc/19/56/65/564195665.db2.gz WPFPHAKTYNTTQB-UHFFFAOYSA-N 1 0 395.297 2.676 20 0 GFADRO C[C@@H](NC(=O)NC[C@H]1CCC[NH2+]1)c1nc(-c2ccc(Br)cc2)no1 ZINC000563585791 564198019 /nfs/dbraw/zinc/19/80/19/564198019.db2.gz LYQKKJLEXISBKK-ZWNOBZJWSA-N 1 0 394.273 2.611 20 0 GFADRO O=C(NCCC1=CC[NH2+]CC1)N[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000563595374 564198030 /nfs/dbraw/zinc/19/80/30/564198030.db2.gz DCVPDLBUXRQUPW-MRXNPFEDSA-N 1 0 393.329 2.637 20 0 GFADRO COCC[C@H](Cc1cccc(Br)c1)C(=O)N[C@@H]1CC[NH2+]C1(C)C ZINC000449755110 564200663 /nfs/dbraw/zinc/20/06/63/564200663.db2.gz SGGDXCVKDKYHIO-GDBMZVCRSA-N 1 0 383.330 2.901 20 0 GFADRO COc1ccc(CNc2cc(N3CCOCC3)c(Br)c[nH+]2)cc1 ZINC000449765178 564200838 /nfs/dbraw/zinc/20/08/38/564200838.db2.gz GWHDNJNIBANQJE-UHFFFAOYSA-N 1 0 378.270 3.301 20 0 GFADRO Cc1[nH]c(=O)c(Br)cc1C(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000506369011 564201669 /nfs/dbraw/zinc/20/16/69/564201669.db2.gz KDCISIUTJJHKOI-VXGBXAGGSA-N 1 0 384.318 2.956 20 0 GFADRO C[NH+](C)CCOCCNC(=O)N(Cc1csc(Br)c1)C1CC1 ZINC000471647749 564201765 /nfs/dbraw/zinc/20/17/65/564201765.db2.gz IQBGFAHNLVTOJB-UHFFFAOYSA-N 1 0 390.347 2.763 20 0 GFADRO CC(C)[N@@H+]1CC[C@@H](N(C)Cc2cn(-c3ccccc3Br)nn2)C1 ZINC000449785254 564202092 /nfs/dbraw/zinc/20/20/92/564202092.db2.gz FGIXIQCZLSXKJY-OAHLLOKOSA-N 1 0 378.318 2.944 20 0 GFADRO C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)CNC(=O)c1sc2ccccc2c1Cl ZINC000538952838 564206529 /nfs/dbraw/zinc/20/65/29/564206529.db2.gz BHQQRZQCKAVMOR-NWDGAFQWSA-N 1 0 379.913 2.836 20 0 GFADRO CC[NH+]1CCN([C@@H](C)CNC(=O)[C@@H]2C[C@H]2c2ccc(Br)cc2)CC1 ZINC000449880450 564207789 /nfs/dbraw/zinc/20/77/89/564207789.db2.gz OJMNZKHRCDRSHR-JCGIZDLHSA-N 1 0 394.357 2.695 20 0 GFADRO Cc1c(I)cccc1C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000471953674 564208134 /nfs/dbraw/zinc/20/81/34/564208134.db2.gz KFGMFPREUJTRFC-ZUZCIYMTSA-N 1 0 384.261 2.812 20 0 GFADRO COC(=O)C(C)(C)CC[NH2+][C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000506649300 564208504 /nfs/dbraw/zinc/20/85/04/564208504.db2.gz SCJYIIMCLZXDPJ-CQSZACIVSA-N 1 0 383.286 2.733 20 0 GFADRO CSCC[C@H](CO)[NH2+][C@@H](C)CC(=O)Nc1cccc(Br)c1 ZINC000539057336 564208892 /nfs/dbraw/zinc/20/88/92/564208892.db2.gz YQYYXVKSNTYUMH-SMDDNHRTSA-N 1 0 375.332 2.870 20 0 GFADRO COc1cc(Br)ccc1[C@H](C)NC(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000563875457 564210873 /nfs/dbraw/zinc/21/08/73/564210873.db2.gz RIWJLYJZWLULFE-SJCJKPOMSA-N 1 0 382.302 2.914 20 0 GFADRO CC[NH+](CC)C[C@@H](C)NC(=O)c1c(F)cccc1I ZINC000472059997 564212063 /nfs/dbraw/zinc/21/20/63/564212063.db2.gz YUIVPXDSPSUWEM-SNVBAGLBSA-N 1 0 378.229 2.890 20 0 GFADRO C[C@@H]1CCC[N@H+](CCNCc2cn(-c3ccccc3Br)nn2)C1 ZINC000563920056 564212686 /nfs/dbraw/zinc/21/26/86/564212686.db2.gz TXCJOAAPPFNUNZ-CQSZACIVSA-N 1 0 378.318 2.851 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1ccc(I)cc1F ZINC000450018844 564213639 /nfs/dbraw/zinc/21/36/39/564213639.db2.gz AQDDUQGJPQGXMZ-GFCCVEGCSA-N 1 0 390.240 2.987 20 0 GFADRO CC[C@H]1CN(C(=O)Cc2ccc(C)cc2Br)CC[N@@H+]1C[C@H](C)O ZINC000450027087 564213730 /nfs/dbraw/zinc/21/37/30/564213730.db2.gz NUCLPWOXSNFZBC-HOCLYGCPSA-N 1 0 383.330 2.604 20 0 GFADRO [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)NCCc1ccc(F)c(Br)c1 ZINC000563945070 564213991 /nfs/dbraw/zinc/21/39/91/564213991.db2.gz NOMLAZZZWKDPAZ-ZAQWFSBCSA-N 1 0 384.293 2.946 20 0 GFADRO CCOc1c(Br)cc(C[NH2+][C@H](CO)C2CCOCC2)cc1OC ZINC000563995579 564215597 /nfs/dbraw/zinc/21/55/97/564215597.db2.gz PQWDBAWIFMKHDV-OAHLLOKOSA-N 1 0 388.302 2.734 20 0 GFADRO C[C@H]1C[C@@H](NC(=O)c2ccc(I)cc2F)C[N@@H+]1C1CC1 ZINC000450074546 564216160 /nfs/dbraw/zinc/21/61/60/564216160.db2.gz LPRPZJVWUFYKBL-GXSJLCMTSA-N 1 0 388.224 2.785 20 0 GFADRO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2ccc(I)cc2F)C1 ZINC000450097011 564216767 /nfs/dbraw/zinc/21/67/67/564216767.db2.gz LRLMINROCFKUGF-YGRLFVJLSA-N 1 0 390.240 2.889 20 0 GFADRO COCC[N@H+](Cc1cc(I)c(OC)c(OC)c1)C1CC1 ZINC000507156519 564219586 /nfs/dbraw/zinc/21/95/86/564219586.db2.gz SVFWJZLEAXUKCG-UHFFFAOYSA-N 1 0 391.249 2.919 20 0 GFADRO O=C(NCCCCn1cc(Br)cn1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000472304286 564220011 /nfs/dbraw/zinc/22/00/11/564220011.db2.gz FLGGHKRDQWZNTQ-MRXNPFEDSA-N 1 0 398.349 2.696 20 0 GFADRO C[N@H+](CCNC(=O)Nc1ccncc1Br)Cc1ccc(F)cc1 ZINC000507181817 564220575 /nfs/dbraw/zinc/22/05/75/564220575.db2.gz TWXNFFWANUYDDB-UHFFFAOYSA-N 1 0 381.249 2.659 20 0 GFADRO Cc1ncc(S(=O)(=O)N2CCCC[C@@H]2[C@H](C[NH3+])Cc2ccccc2)s1 ZINC000472338808 564221538 /nfs/dbraw/zinc/22/15/38/564221538.db2.gz BMLNKQCVVJTQSH-DLBZAZTESA-N 1 0 379.551 2.812 20 0 GFADRO CC[N@H+](C)CCNC(=O)NCc1ccc(I)c(Cl)c1 ZINC000507232330 564222655 /nfs/dbraw/zinc/22/26/55/564222655.db2.gz LBGWNNWHPUOAPS-UHFFFAOYSA-N 1 0 395.672 2.696 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)Nc1ccncc1Br)Cc1ccccc1 ZINC000507261094 564224543 /nfs/dbraw/zinc/22/45/43/564224543.db2.gz QVHIGVMGDQOHGU-AWEZNQCLSA-N 1 0 377.286 2.560 20 0 GFADRO CC(C)OC[C@@H](CO)[N@H+](C)Cc1cc(Br)c2c(c1)OCCCO2 ZINC000564324521 564228590 /nfs/dbraw/zinc/22/85/90/564228590.db2.gz HJTCFCZUOSUDSY-CQSZACIVSA-N 1 0 388.302 2.828 20 0 GFADRO C[C@H](Cc1c[nH]cn1)C(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000564344996 564229576 /nfs/dbraw/zinc/22/95/76/564229576.db2.gz AQSACLQEVKWMJY-CQSZACIVSA-N 1 0 393.329 2.941 20 0 GFADRO CCN1CCN(C(=O)C(=O)Nc2cc3sc(C)nc3cc2Cl)[C@H](C)C1 ZINC000507477923 564230030 /nfs/dbraw/zinc/23/00/30/564230030.db2.gz LVGUXLQBXNBJIW-SNVBAGLBSA-N 1 0 380.901 2.749 20 0 GFADRO CC[NH+]1CCN([C@H](C)CNC(=O)c2c(C)c(C)sc2Br)CC1 ZINC000507515757 564230423 /nfs/dbraw/zinc/23/04/23/564230423.db2.gz GQMPRWOIFJCUDX-LLVKDONJSA-N 1 0 388.375 2.883 20 0 GFADRO COc1ccc(Br)c(CS(=O)(=O)N[C@@H](C)C[N@H+](C)C(C)C)c1 ZINC000564355541 564230697 /nfs/dbraw/zinc/23/06/97/564230697.db2.gz HHMLGITYGUNFCK-LBPRGKRZSA-N 1 0 393.347 2.606 20 0 GFADRO CC[NH+](CC)CC[C@@H](CO)NC(=O)c1cc2cc(Br)ccc2[nH]1 ZINC000539920412 564232451 /nfs/dbraw/zinc/23/24/51/564232451.db2.gz AMHQHTNYZJNNRP-AWEZNQCLSA-N 1 0 382.302 2.753 20 0 GFADRO CC[NH+](CC)CC[C@H](CO)NC(=O)[C@@H](C)Oc1cccc(Cl)c1Cl ZINC000539920923 564232774 /nfs/dbraw/zinc/23/27/74/564232774.db2.gz QJHBARRWWOJUSP-CHWSQXEVSA-N 1 0 377.312 2.970 20 0 GFADRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1c1ncnc2cc(Br)ccc21 ZINC000450467814 564233596 /nfs/dbraw/zinc/23/35/96/564233596.db2.gz MBAAVAYZVZQHGV-LBPRGKRZSA-N 1 0 379.302 2.674 20 0 GFADRO C[NH+](C)CCOc1cc(CNC(=O)Cc2sccc2Br)ccn1 ZINC000450481970 564234361 /nfs/dbraw/zinc/23/43/61/564234361.db2.gz FXHYJKRTWJIUBZ-UHFFFAOYSA-N 1 0 398.326 2.705 20 0 GFADRO C[C@@H](CNC(=O)NCc1cc(Cl)sc1Cl)C[NH+]1CCN(C)CC1 ZINC000539966881 564234438 /nfs/dbraw/zinc/23/44/38/564234438.db2.gz GDOHWZYZHYXOQD-NSHDSACASA-N 1 0 379.357 2.738 20 0 GFADRO CCOC(=O)c1nn(C)cc1C[NH2+]C[C@H](C)Oc1ccc(Br)cc1 ZINC000473122157 564239665 /nfs/dbraw/zinc/23/96/65/564239665.db2.gz VNKRBWOCAVWVIF-LBPRGKRZSA-N 1 0 396.285 2.916 20 0 GFADRO Cc1cn2c(n1)[C@H](C[NH2+]C[C@H](O)COc1cccc(Br)c1)CCC2 ZINC000564564446 564239964 /nfs/dbraw/zinc/23/99/64/564239964.db2.gz PAOKGRSKRNJGCC-HOCLYGCPSA-N 1 0 394.313 2.861 20 0 GFADRO Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+]CCS(=O)(=O)NC(C)(C)C ZINC000540182786 564240792 /nfs/dbraw/zinc/24/07/92/564240792.db2.gz OPGFCDSNFQNOSJ-GFCCVEGCSA-N 1 0 382.555 2.882 20 0 GFADRO OCC[N@@H+]1CCCC[C@H]1CNc1ccc(Br)c(C(F)(F)F)n1 ZINC000450622924 564241522 /nfs/dbraw/zinc/24/15/22/564241522.db2.gz ZXUKQUJMFVKDLX-JTQLQIEISA-N 1 0 382.224 3.122 20 0 GFADRO COCCOC[C@@H](O)C[N@@H+]1CCCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000450640586 564242564 /nfs/dbraw/zinc/24/25/64/564242564.db2.gz MVBGXYKGFKOHLL-HNNXBMFYSA-N 1 0 377.312 2.529 20 0 GFADRO Cc1cc(NC(=O)CN2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)ccc1Br ZINC000564656790 564243286 /nfs/dbraw/zinc/24/32/86/564243286.db2.gz HQIIRHIHOQSSMC-AEFFLSMTSA-N 1 0 396.329 2.524 20 0 GFADRO C[C@H]([NH2+]C[C@H]1CCNC(=O)CC1)c1cc2c(cc1Br)OCCO2 ZINC000450675067 564243602 /nfs/dbraw/zinc/24/36/02/564243602.db2.gz NRCBPHDAJZDPTN-NWDGAFQWSA-N 1 0 383.286 2.787 20 0 GFADRO CCS(=O)(=O)NCC[NH2+][C@@H](c1ccc(Br)cc1)C1CCC1 ZINC000540375351 564246828 /nfs/dbraw/zinc/24/68/28/564246828.db2.gz FPNWUNZZVBRFEK-OAHLLOKOSA-N 1 0 375.332 2.819 20 0 GFADRO O=C(COc1ccc(Br)cc1F)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000564831264 564250670 /nfs/dbraw/zinc/25/06/70/564250670.db2.gz USNHJPHDENOKAL-GOEBONIOSA-N 1 0 393.256 2.839 20 0 GFADRO O=C(NCCC[C@@H]1CCC[NH2+]1)c1cnn(-c2cccc(Br)c2)c1 ZINC000564838554 564251405 /nfs/dbraw/zinc/25/14/05/564251405.db2.gz OWJDCWRNYBPBST-HNNXBMFYSA-N 1 0 377.286 2.897 20 0 GFADRO C[N@H+]1CC=C(CNC(=O)c2cc(=O)[nH]c3ccc(Br)cc32)CC1 ZINC000540540376 564251501 /nfs/dbraw/zinc/25/15/01/564251501.db2.gz XQSQIFTVURNRDS-UHFFFAOYSA-N 1 0 376.254 2.695 20 0 GFADRO Cc1ccc(Br)cc1C[NH2+][C@H]1CCCC[C@H]1NS(C)(=O)=O ZINC000450864737 564252166 /nfs/dbraw/zinc/25/21/66/564252166.db2.gz UZHOMARDTGGJPJ-LSDHHAIUSA-N 1 0 375.332 2.708 20 0 GFADRO CS[C@@H]1CN(CC(=O)N(C)Cc2cc(Cl)cc(Cl)c2)C[C@H]1[NH+](C)C ZINC000540592401 564252206 /nfs/dbraw/zinc/25/22/06/564252206.db2.gz LMRMYBJZLZJIIU-HZPDHXFCSA-N 1 0 390.380 2.929 20 0 GFADRO O=C1[C@@H]([NH2+]C[C@H]2CN(C3CC3)CCO2)CCN1c1ccc(Cl)cc1Cl ZINC000473679602 564252893 /nfs/dbraw/zinc/25/28/93/564252893.db2.gz UORPDIUORKHHRF-HOCLYGCPSA-N 1 0 384.307 2.552 20 0 GFADRO CCC[C@@](C)([NH3+])C(=O)N1C[C@H](C(=O)OC)[C@@H](c2ccc(Br)cc2)C1 ZINC000564936610 564258118 /nfs/dbraw/zinc/25/81/18/564258118.db2.gz HUAGBKMYLCGQBN-RVKKMQEKSA-N 1 0 397.313 2.682 20 0 GFADRO CCN(CCC[NH+](CC)CC)S(=O)(=O)c1ccc(C(=O)OC)c(Cl)c1 ZINC000473936624 564258885 /nfs/dbraw/zinc/25/88/85/564258885.db2.gz JSDJEIKHIYMYJK-UHFFFAOYSA-N 1 0 390.933 2.869 20 0 GFADRO C[C@]1(C[NH3+])CCN(C(=O)[C@H](c2ccc(Br)cc2)N2CCCC2)C1 ZINC000564949464 564259006 /nfs/dbraw/zinc/25/90/06/564259006.db2.gz MUMJOSVNNGWHOQ-FUHWJXTLSA-N 1 0 380.330 2.783 20 0 GFADRO C[NH2+]C[C@@H]1CCCN(S(=O)(=O)Cc2cc(Cl)ccc2Br)C1 ZINC000564958193 564259661 /nfs/dbraw/zinc/25/96/61/564259661.db2.gz QXSBMLLCYNLFNZ-NSHDSACASA-N 1 0 395.750 2.864 20 0 GFADRO [NH3+]CC[C@H]1CCCCN1S(=O)(=O)c1cccc(Br)c1Cl ZINC000564966209 564260404 /nfs/dbraw/zinc/26/04/04/564260404.db2.gz CHHPYWZNMIVQKD-SNVBAGLBSA-N 1 0 381.723 2.995 20 0 GFADRO C[NH+](C)CCNC(=O)N[C@H](Cc1ccccn1)c1ccc(Br)cc1 ZINC000473969590 564260799 /nfs/dbraw/zinc/26/07/99/564260799.db2.gz YFKSPVBROAQKKE-QGZVFWFLSA-N 1 0 391.313 2.989 20 0 GFADRO CC[NH+]1CCC(N(C)S(=O)(=O)c2cccc(Br)c2C)CC1 ZINC000474055262 564262416 /nfs/dbraw/zinc/26/24/16/564262416.db2.gz SHVXYSSZEDJKPB-UHFFFAOYSA-N 1 0 375.332 2.862 20 0 GFADRO O=C(NC[C@@H]1CSc2ccccc2O1)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000565030529 564262809 /nfs/dbraw/zinc/26/28/09/564262809.db2.gz CESGMOKPUXVVNU-JKSUJKDBSA-N 1 0 378.563 2.873 20 0 GFADRO O=C(NC[C@H]1CSc2ccccc2O1)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000565030525 564262912 /nfs/dbraw/zinc/26/29/12/564262912.db2.gz CESGMOKPUXVVNU-HOTGVXAUSA-N 1 0 378.563 2.873 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2c[nH]c3cccc(Br)c23)CC1 ZINC000565152276 564267617 /nfs/dbraw/zinc/26/76/17/564267617.db2.gz ZVRMRGKGJVBODU-PBHICJAKSA-N 1 0 392.297 2.899 20 0 GFADRO C[N@@H+]1CCC[C@H]1CNC(=O)N[C@@H](CO)c1ccc(Cl)cc1C(F)(F)F ZINC000474178634 564268499 /nfs/dbraw/zinc/26/84/99/564268499.db2.gz QNNSMZGVQRIJEL-FZMZJTMJSA-N 1 0 379.810 2.786 20 0 GFADRO CC(C)[NH2+]C1(CO)CCN([C@H](C)C(=O)Nc2ccccc2Br)CC1 ZINC000565163213 564268657 /nfs/dbraw/zinc/26/86/57/564268657.db2.gz JZWXSPSPYRQHOR-CQSZACIVSA-N 1 0 398.345 2.601 20 0 GFADRO O=C(N[C@@H]1COc2cc(F)c(Br)cc21)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000508648048 564268689 /nfs/dbraw/zinc/26/86/89/564268689.db2.gz HLFGRSLPSILVBY-IAQYHMDHSA-N 1 0 396.260 2.677 20 0 GFADRO CC[C@@H]([NH2+]Cc1cc2c(c(Cl)c1)OCO2)c1cccc(S(N)(=O)=O)c1 ZINC000541204884 564268800 /nfs/dbraw/zinc/26/88/00/564268800.db2.gz HYYBGEZCTUUPIC-OAHLLOKOSA-N 1 0 382.869 2.957 20 0 GFADRO O=C(N[C@@H]1COc2cc(F)c(Br)cc21)N1CC[NH+](C2CCC2)CC1 ZINC000508664065 564269571 /nfs/dbraw/zinc/26/95/71/564269571.db2.gz NAJWJAYACQGKAD-OAHLLOKOSA-N 1 0 398.276 2.901 20 0 GFADRO C[NH+](C)CCn1ccc(C(=O)N[C@@H]2CCc3c2cccc3Br)n1 ZINC000565182721 564269670 /nfs/dbraw/zinc/26/96/70/564269670.db2.gz RECNEDHFUUWOHK-OAHLLOKOSA-N 1 0 377.286 2.625 20 0 GFADRO O=S(=O)(c1cccc(Br)c1F)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000541237054 564270930 /nfs/dbraw/zinc/27/09/30/564270930.db2.gz GYFVXQBZZDAYAD-LBPRGKRZSA-N 1 0 391.306 2.837 20 0 GFADRO C[C@@H](CNC(=O)c1cn2ccc(Br)cc2n1)[NH+]1CCC(C)CC1 ZINC000508721388 564271336 /nfs/dbraw/zinc/27/13/36/564271336.db2.gz WLWHSIIEKBTJBQ-ZDUSSCGKSA-N 1 0 379.302 2.947 20 0 GFADRO COc1cc(C[NH2+]C[C@H]2CCCCS2(=O)=O)ccc1OCC(F)(F)F ZINC000541379424 564276900 /nfs/dbraw/zinc/27/69/00/564276900.db2.gz MGUFEJUTEDXHEM-CYBMUJFWSA-N 1 0 381.416 2.693 20 0 GFADRO CCC[N@H+](C)[C@@H](CNC(=O)NC[C@H](O)C(F)(F)F)c1ccc(Cl)cc1 ZINC000509011636 564278763 /nfs/dbraw/zinc/27/87/63/564278763.db2.gz BLYPXKAPGNRTKZ-KBPBESRZSA-N 1 0 381.826 2.945 20 0 GFADRO O=C(CCc1cc(F)ccc1Br)NCC[NH+]1CCSCC1 ZINC000541423245 564279103 /nfs/dbraw/zinc/27/91/03/564279103.db2.gz QSNWJNLBHOSIIH-UHFFFAOYSA-N 1 0 375.307 2.686 20 0 GFADRO C[NH+]1CCC(CCNS(=O)(=O)Cc2ccc(Br)c(F)c2)CC1 ZINC000451149828 564279992 /nfs/dbraw/zinc/27/99/92/564279992.db2.gz QUJNTZSJWZKUHE-UHFFFAOYSA-N 1 0 393.322 2.740 20 0 GFADRO CCNC(=O)CC(=O)N(CC[NH+]1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC000509079547 564280745 /nfs/dbraw/zinc/28/07/45/564280745.db2.gz CGYCEUOKRWEYAU-UHFFFAOYSA-N 1 0 386.323 2.944 20 0 GFADRO CC1(c2cccc(Br)c2)CC[NH+](CCCC(=O)NC(N)=O)CC1 ZINC000509077604 564280861 /nfs/dbraw/zinc/28/08/61/564280861.db2.gz LAXZYTRVWFPXGV-UHFFFAOYSA-N 1 0 382.302 2.778 20 0 GFADRO C[C@@H]1C[N@@H+](CC2CCN(S(=O)(=O)c3sccc3Cl)CC2)C[C@H](C)O1 ZINC000451159217 564281995 /nfs/dbraw/zinc/28/19/95/564281995.db2.gz PKWXDBFJABOBDW-BETUJISGSA-N 1 0 392.974 2.911 20 0 GFADRO Cc1sc(Br)cc1S(=O)(=O)N[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000474579885 564282667 /nfs/dbraw/zinc/28/26/67/564282667.db2.gz LIYNDOSUEZAKGS-LLVKDONJSA-N 1 0 381.361 2.970 20 0 GFADRO C[NH+](C)[C@H](CNc1cc(Br)cnc1C(N)=O)c1cccc(F)c1 ZINC000541539743 564283598 /nfs/dbraw/zinc/28/35/98/564283598.db2.gz IOLKWZZQNFMIBO-CQSZACIVSA-N 1 0 381.249 2.797 20 0 GFADRO Nc1ccnc(C[N@@H+]2CC[C@@H](Cc3cccc(I)c3)C2)n1 ZINC000451188105 564284722 /nfs/dbraw/zinc/28/47/22/564284722.db2.gz HIPXZXPUQZERQB-ZDUSSCGKSA-N 1 0 394.260 2.728 20 0 GFADRO CO[C@@H]1CC[C@@H]([NH2+]C[C@@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000565536200 564285760 /nfs/dbraw/zinc/28/57/60/564285760.db2.gz XWBTUUINJYHOFA-JHJVBQTASA-N 1 0 378.694 2.999 20 0 GFADRO COCC[C@@](C)(O)C[NH2+][C@@H](C)CCc1ccc(I)cc1 ZINC000474721755 564286721 /nfs/dbraw/zinc/28/67/21/564286721.db2.gz VNWYFHAULDYGCQ-XJKSGUPXSA-N 1 0 391.293 2.989 20 0 GFADRO C[C@H](CS(C)(=O)=O)[NH2+][C@@H](C)CCc1ccc(I)cc1 ZINC000474719690 564286933 /nfs/dbraw/zinc/28/69/33/564286933.db2.gz MMLDUOCKWHPALG-NWDGAFQWSA-N 1 0 395.306 2.635 20 0 GFADRO CC1CC[NH+](CC(=O)N[C@@H]2CCN(c3ccccc3Br)C2)CC1 ZINC000474741779 564287636 /nfs/dbraw/zinc/28/76/36/564287636.db2.gz RJWPUKDVBSSTOX-OAHLLOKOSA-N 1 0 380.330 2.876 20 0 GFADRO O=C(C1CCC1)N1CCN(CC[NH2+]Cc2c(F)cccc2Br)CC1 ZINC000474733227 564287689 /nfs/dbraw/zinc/28/76/89/564287689.db2.gz XOYYQARFKYWCJN-UHFFFAOYSA-N 1 0 398.320 2.622 20 0 GFADRO COc1ccc(CNc2ccn(C3CC[NH+](C)CC3)n2)c(Br)c1O ZINC000565633918 564288985 /nfs/dbraw/zinc/28/89/85/564288985.db2.gz NZSNBVDQLUZOMU-UHFFFAOYSA-N 1 0 395.301 3.239 20 0 GFADRO CC(=O)N1CC[C@H]([NH2+][C@H](C)CCc2ccc(I)cc2)C1 ZINC000474797895 564289557 /nfs/dbraw/zinc/28/95/57/564289557.db2.gz AWBKFEXGIRKAKG-WBMJQRKESA-N 1 0 386.277 2.823 20 0 GFADRO CN1CC[NH+](CCC(C)(C)NC(=O)c2ccc(F)c(Br)c2)CC1 ZINC000474814329 564289913 /nfs/dbraw/zinc/28/99/13/564289913.db2.gz UUPBYNXETBDLRA-UHFFFAOYSA-N 1 0 386.309 2.734 20 0 GFADRO CSC[C@](C)(O)C[NH2+]Cc1c(F)ccc(I)c1F ZINC000474819345 564290190 /nfs/dbraw/zinc/29/01/90/564290190.db2.gz XGEMPXWSNDNISB-GFCCVEGCSA-N 1 0 387.233 2.773 20 0 GFADRO O[C@@H](C[NH2+]CCc1ccc2c(c1)OCO2)COc1cccc(Br)c1 ZINC000565649956 564290434 /nfs/dbraw/zinc/29/04/34/564290434.db2.gz MPSVMVLHNADMLU-HNNXBMFYSA-N 1 0 394.265 2.750 20 0 GFADRO C[C@H]1C[C@@H](N(C)S(=O)(=O)Cc2ccc(Br)c(F)c2)CC[N@@H+]1C ZINC000451242733 564290939 /nfs/dbraw/zinc/29/09/39/564290939.db2.gz OEYJSLAUOKYTKZ-AAEUAGOBSA-N 1 0 393.322 2.833 20 0 GFADRO CSc1nc(C(=O)N2C[C@H](SC)[C@@H]([NH+]3CCCC3)C2)c2ccccn21 ZINC000541842755 564291641 /nfs/dbraw/zinc/29/16/41/564291641.db2.gz KSHCBDBLGJPCON-GJZGRUSLSA-N 1 0 376.551 2.708 20 0 GFADRO CC[C@@H]1[C@@H](CO)CC[N@@H+]1C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000451249235 564292315 /nfs/dbraw/zinc/29/23/15/564292315.db2.gz BNNSPWTUQBSJEF-UXIGCNINSA-N 1 0 392.721 2.935 20 0 GFADRO C[C@H](NC(=O)NCC(C)(C)C[NH+]1CCCC1)c1ncc(Br)cn1 ZINC000565694325 564292332 /nfs/dbraw/zinc/29/23/32/564292332.db2.gz WQJYPWSAGKDOIL-LBPRGKRZSA-N 1 0 384.322 2.721 20 0 GFADRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NCCNc1cccc(Br)c1 ZINC000541848833 564292474 /nfs/dbraw/zinc/29/24/74/564292474.db2.gz CWBNOTNNQXJHJK-WBMJQRKESA-N 1 0 381.318 2.643 20 0 GFADRO O=S(=O)(c1ccc(C[NH2+][C@@H]2CCCC[C@@H]2C2CC2)s1)N1CCOCC1 ZINC000541882396 564293481 /nfs/dbraw/zinc/29/34/81/564293481.db2.gz MVUWJSBXIIHEMZ-IAGOWNOFSA-N 1 0 384.567 2.827 20 0 GFADRO C[NH+](C)[C@@]1(CNS(=O)(=O)c2cccc3c(Cl)ccnc32)CCSC1 ZINC000451280298 564295227 /nfs/dbraw/zinc/29/52/27/564295227.db2.gz ZRNSXNSYUXAJPA-MRXNPFEDSA-N 1 0 385.942 2.604 20 0 GFADRO CCN(C)C(=O)[C@@H]([NH2+]C[C@H](O)COc1c(Cl)cccc1Cl)C(C)C ZINC000451315582 564299906 /nfs/dbraw/zinc/29/99/06/564299906.db2.gz RIPGVEDZNGXYSQ-WFASDCNBSA-N 1 0 377.312 2.826 20 0 GFADRO CCN(CCC[NH2+][C@@H](C)c1cccc(S(=O)(=O)NC)c1)CC(F)(F)F ZINC000475134290 564300465 /nfs/dbraw/zinc/30/04/65/564300465.db2.gz DFCCVMJVPNBVHN-ZDUSSCGKSA-N 1 0 381.464 2.520 20 0 GFADRO COC[C@]1(C(=O)Nc2ccnn2Cc2ccc(Cl)cc2Cl)CC[NH2+]C1 ZINC000566004293 564305989 /nfs/dbraw/zinc/30/59/89/564305989.db2.gz AGXQGDUSDWBBGL-KRWDZBQOSA-N 1 0 383.279 2.803 20 0 GFADRO CNC(=O)CC[N@H+](C)[C@@H]1CCCN(c2c(C)cc(Br)cc2C)C1=O ZINC000509669779 564309128 /nfs/dbraw/zinc/30/91/28/564309128.db2.gz YDYIMJLGOFTZEU-OAHLLOKOSA-N 1 0 396.329 2.629 20 0 GFADRO C[S@](=O)Cc1ccc(C[NH2+]C[C@@H](O)COCc2ccc(Cl)cc2)cc1 ZINC000566129464 564311635 /nfs/dbraw/zinc/31/16/35/564311635.db2.gz DRAFIUKUZIOKDB-CLOONOSVSA-N 1 0 381.925 2.886 20 0 GFADRO C[N@H+](C[C@@H](O)CNc1cccc(Oc2ncc(Br)cn2)c1)C1CC1 ZINC000566129056 564311985 /nfs/dbraw/zinc/31/19/85/564311985.db2.gz UYTUXROWSAQMRG-HNNXBMFYSA-N 1 0 393.285 2.898 20 0 GFADRO CCOC(=O)C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C)c1cccc(Br)c1 ZINC000542419655 564312456 /nfs/dbraw/zinc/31/24/56/564312456.db2.gz KCZCNEBSMAJXHN-CABCVRRESA-N 1 0 383.286 2.654 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)[C@H]1C ZINC000509773320 564312985 /nfs/dbraw/zinc/31/29/85/564312985.db2.gz SSOVKRNSRRQOCG-CJNGLKHVSA-N 1 0 394.313 2.781 20 0 GFADRO C[C@@H]([NH2+]CC(=O)Nc1cccc(I)c1)[C@@H]1CCCOC1 ZINC000542576331 564318386 /nfs/dbraw/zinc/31/83/86/564318386.db2.gz FWPSQRDIEXOJES-VXGBXAGGSA-N 1 0 388.249 2.634 20 0 GFADRO OC[C@@H](C[NH2+]C[C@H](O)COc1c(Cl)cccc1Cl)Cc1cccnc1 ZINC000566231408 564318326 /nfs/dbraw/zinc/31/83/26/564318326.db2.gz PWEPDHREKCZDEI-CABCVRRESA-N 1 0 385.291 2.569 20 0 GFADRO CC[C@H]1C[N@H+](C)CCCN1S(=O)(=O)c1cc(C(=O)OC)cc(Cl)c1C ZINC000451495738 564319251 /nfs/dbraw/zinc/31/92/51/564319251.db2.gz LFJNSVMACNAPIE-AWEZNQCLSA-N 1 0 388.917 2.540 20 0 GFADRO [NH3+][C@@H](Cc1ccccc1)[C@@H](O)CN[C@H]1CCOc2c(Br)cccc21 ZINC000566245428 564319467 /nfs/dbraw/zinc/31/94/67/564319467.db2.gz RSHNFWPTMGDUDN-BZSNNMDCSA-N 1 0 391.309 2.793 20 0 GFADRO O=C(NCCC[NH2+]C1CC1)c1ccc(Cl)c(I)c1 ZINC000566258466 564320273 /nfs/dbraw/zinc/32/02/73/564320273.db2.gz ZIMBOUXOSURSML-UHFFFAOYSA-N 1 0 378.641 2.817 20 0 GFADRO CN([C@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1)S(=O)(=O)c1ccsc1 ZINC000510064666 564324775 /nfs/dbraw/zinc/32/47/75/564324775.db2.gz LOCYPLZVGOZCPU-ROUUACIJSA-N 1 0 385.599 2.706 20 0 GFADRO Cc1cc(Br)cn2cc(CNC(=O)NC[C@@H]3CCC[N@@H+](C)C3)nc12 ZINC000542771079 564325433 /nfs/dbraw/zinc/32/54/33/564325433.db2.gz XXSXGTJUXKWEMB-ZDUSSCGKSA-N 1 0 394.317 2.546 20 0 GFADRO C[C@@H]1CN(C[C@H](O)C[N@@H+]2CC[C@@H](c3cccc(Br)c3)C2)C[C@H](C)O1 ZINC000451561986 564325801 /nfs/dbraw/zinc/32/58/01/564325801.db2.gz CDXAZPBHIBQVEM-LORHWOILSA-N 1 0 397.357 2.709 20 0 GFADRO C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N[C@H](C)C1=CC[N@H+](C)CC1 ZINC000542826072 564327622 /nfs/dbraw/zinc/32/76/22/564327622.db2.gz KTNKNUICEVPYEU-VXGBXAGGSA-N 1 0 384.307 2.878 20 0 GFADRO Cn1ccnc1[C@H]1CC[N@H+](Cc2nnc(-c3ccc(Br)o3)o2)C1 ZINC000542822693 564328012 /nfs/dbraw/zinc/32/80/12/564328012.db2.gz GSHNJCPOHBJYIY-JTQLQIEISA-N 1 0 378.230 2.815 20 0 GFADRO CC(=O)Nc1ccc(S(=O)(=O)N[C@H](C)C[NH+]2CCC(C)CC2)cc1Cl ZINC000566494724 564329695 /nfs/dbraw/zinc/32/96/95/564329695.db2.gz TUZDJTOVMYCTHK-CYBMUJFWSA-N 1 0 387.933 2.697 20 0 GFADRO OC[C@@H]([C@@H]([NH2+]C[C@@H](O)COc1ccc(Br)cc1)C1CC1)C1CC1 ZINC000451597655 564330017 /nfs/dbraw/zinc/33/00/17/564330017.db2.gz UYNLHZNOKXQBCG-NXHRZFHOSA-N 1 0 384.314 2.576 20 0 GFADRO CCC[N@@H+]1CC[C@@H](CNC(=O)N[C@H](CCO)c2ccccc2Br)C1 ZINC000542893094 564330764 /nfs/dbraw/zinc/33/07/64/564330764.db2.gz GBJLDXVIHPJKQJ-WMLDXEAASA-N 1 0 398.345 2.904 20 0 GFADRO CC[NH+](CC)CC1CCN(S(=O)(=O)c2c(F)c(F)cc(F)c2F)CC1 ZINC000510359850 564330890 /nfs/dbraw/zinc/33/08/90/564330890.db2.gz VJCGFFYHDJZMCS-UHFFFAOYSA-N 1 0 382.423 2.986 20 0 GFADRO CN(CCC(=O)N[C@@H](CCO)c1ccccc1Br)c1cc[nH+]cc1 ZINC000542917906 564331721 /nfs/dbraw/zinc/33/17/21/564331721.db2.gz NKKQYCRUKJJIKT-KRWDZBQOSA-N 1 0 392.297 2.910 20 0 GFADRO COCC[C@@H](Cc1cccc(Br)c1)C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000510409901 564332899 /nfs/dbraw/zinc/33/28/99/564332899.db2.gz VMPRNGYAIGQCEW-MAUKXSAKSA-N 1 0 383.330 2.842 20 0 GFADRO C[C@@H]1C[C@H](C[NH2+]C[C@H](O)COc2cc(F)cc(Br)c2)[C@@H](C)O1 ZINC000566615997 564334236 /nfs/dbraw/zinc/33/42/36/564334236.db2.gz WAXNMRYYZRICKX-BLTAXRJOSA-N 1 0 376.266 2.731 20 0 GFADRO Cc1ccccc1[C@H]([C@@H](C)NC(=O)Cn1cc(Br)cn1)[NH+](C)C ZINC000510527370 564337561 /nfs/dbraw/zinc/33/75/61/564337561.db2.gz XIBQVDGNCXETCX-DYVFJYSZSA-N 1 0 379.302 2.762 20 0 GFADRO CS[C@@H]1CN(C(=O)c2c(C)nc3ccc(Br)cn32)C[C@H]1[NH+](C)C ZINC000476459636 564340674 /nfs/dbraw/zinc/34/06/74/564340674.db2.gz OFEDTHSDYHCAQA-CHWSQXEVSA-N 1 0 397.342 2.523 20 0 GFADRO CC[C@H]([NH2+]Cc1cncc(Br)c1)c1cccc(S(N)(=O)=O)c1 ZINC000543186961 564342137 /nfs/dbraw/zinc/34/21/37/564342137.db2.gz YFCLSYAZBCIFQW-HNNXBMFYSA-N 1 0 384.299 2.732 20 0 GFADRO CC[C@@H]1C[N@H+](CC)CCN1C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000451734530 564345856 /nfs/dbraw/zinc/34/58/56/564345856.db2.gz BWRVIUHNUZTNIR-HZPDHXFCSA-N 1 0 389.309 2.744 20 0 GFADRO CS(=O)(=O)N[C@H]1CCCC[C@H]1[NH2+]CCOc1cc(Cl)ccc1Cl ZINC000510768572 564346532 /nfs/dbraw/zinc/34/65/32/564346532.db2.gz UMYFBNFRXPDWJW-KGLIPLIRSA-N 1 0 381.325 2.822 20 0 GFADRO COC1CC[NH+](C(C)(C)C[N-]S(=O)(=O)c2c(Cl)ccc(F)c2F)CC1 ZINC000566873257 564347045 /nfs/dbraw/zinc/34/70/45/564347045.db2.gz IEIMDDJDFJSZJP-UHFFFAOYSA-N 1 0 396.887 2.786 20 0 GFADRO CC[NH+](CC)CC[C@H](CO)NC(=O)Nc1cc(Br)ccc1F ZINC000566869904 564347125 /nfs/dbraw/zinc/34/71/25/564347125.db2.gz ZXQJOMGGZRBEIT-GFCCVEGCSA-N 1 0 376.270 2.803 20 0 GFADRO CC[NH+]1CCC(NC(=O)c2cnc3ccc(Br)cc3c2O)CC1 ZINC000543418225 564350483 /nfs/dbraw/zinc/35/04/83/564350483.db2.gz RPYFFFZNAZUONB-UHFFFAOYSA-N 1 0 378.270 2.505 20 0 GFADRO COC[C@H]([NH2+][C@H](C)C(=O)Nc1ccc(I)cc1)C(C)C ZINC000543453354 564351493 /nfs/dbraw/zinc/35/14/93/564351493.db2.gz KIKCVNQZZONIRQ-RISCZKNCSA-N 1 0 390.265 2.879 20 0 GFADRO C[C@@H]([NH2+][C@H](C)c1cccc(S(N)(=O)=O)c1)C(=O)Nc1ccc(Cl)cc1 ZINC000510968086 564352154 /nfs/dbraw/zinc/35/21/54/564352154.db2.gz MGOXTWQOHWHXSD-VXGBXAGGSA-N 1 0 381.885 2.665 20 0 GFADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)NCc1nc2cc(Cl)ccc2s1 ZINC000476709428 564352206 /nfs/dbraw/zinc/35/22/06/564352206.db2.gz OWYJZYFDFMMXHA-CYBMUJFWSA-N 1 0 382.917 2.860 20 0 GFADRO CCC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1ccc(C)cc1Br ZINC000511007571 564352899 /nfs/dbraw/zinc/35/28/99/564352899.db2.gz CMKLBIQKGYWOMR-ZDUSSCGKSA-N 1 0 375.332 2.910 20 0 GFADRO C[C@@H]([NH2+][C@@H](C)c1cccc(S(N)(=O)=O)c1)C(=O)Nc1cccc(Cl)c1 ZINC000511031675 564353555 /nfs/dbraw/zinc/35/35/55/564353555.db2.gz OGIPKPHOBIWBRK-NWDGAFQWSA-N 1 0 381.885 2.665 20 0 GFADRO CS(=O)(=O)N1CC[C@H]([NH2+][C@@H]2CCc3c2cc(Cl)cc3Br)C1 ZINC000567054541 564355227 /nfs/dbraw/zinc/35/52/27/564355227.db2.gz SBIYTPBPRLDGEK-IINYFYTJSA-N 1 0 393.734 2.713 20 0 GFADRO Cc1cc(Br)cn2c(C[NH2+]Cc3ccc4c(c3)C(=O)NCC4)cnc12 ZINC000543619788 564356549 /nfs/dbraw/zinc/35/65/49/564356549.db2.gz ZSTSPBXBCXGTNN-UHFFFAOYSA-N 1 0 399.292 2.981 20 0 GFADRO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2c(Cl)cccc2S(C)(=O)=O)C1 ZINC000476909602 564358484 /nfs/dbraw/zinc/35/84/84/564358484.db2.gz ZMZVXILEZBYRCP-ZDUSSCGKSA-N 1 0 386.945 2.984 20 0 GFADRO C[C@H](CNS(=O)(=O)c1cccc(OC(F)(F)F)c1)C[NH+]1CCCCC1 ZINC000511164214 564360655 /nfs/dbraw/zinc/36/06/55/564360655.db2.gz DZVUJRWCRDQNBN-CYBMUJFWSA-N 1 0 380.432 2.986 20 0 GFADRO COc1ccc(Cl)cc1NCC(=O)N1C[C@@H](SC)[C@@H]([NH+]2CCCC2)C1 ZINC000543701362 564361106 /nfs/dbraw/zinc/36/11/06/564361106.db2.gz PQKKOGPATKZTPR-DOTOQJQBSA-N 1 0 383.945 2.799 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(S(=O)(=O)c3ccc4cc(Br)ccc4c3)C[C@@H]21 ZINC000451878976 564361669 /nfs/dbraw/zinc/36/16/69/564361669.db2.gz OVNXXZTWIKGINP-PBHICJAKSA-N 1 0 395.322 2.927 20 0 GFADRO C[NH+](C)CCCC(C)(C)NS(=O)(=O)c1cc2c(cc1Cl)OCCO2 ZINC000451882034 564362198 /nfs/dbraw/zinc/36/21/98/564362198.db2.gz CCBIAGHQHYMHSZ-UHFFFAOYSA-N 1 0 376.906 2.510 20 0 GFADRO O[C@H]([C@H]1CC[N@@H+](C[C@H](O)COc2ccc(Cl)cc2Cl)C1)C(F)(F)F ZINC000451902476 564364672 /nfs/dbraw/zinc/36/46/72/564364672.db2.gz HXBQBMRUHDTPKU-NURSFMCSSA-N 1 0 388.213 2.978 20 0 GFADRO CN(Cc1c(F)cccc1Cl)S(=O)(=O)N[C@H](c1nccn1C)C1CC1 ZINC000511272768 564365016 /nfs/dbraw/zinc/36/50/16/564365016.db2.gz QZJFJWAQSUPQSF-HNNXBMFYSA-N 1 0 386.880 2.630 20 0 GFADRO CS[C@@H]1CN(S(=O)(=O)c2cccc(C(F)(F)F)c2)C[C@@H]1[NH+]1CCCC1 ZINC000477138795 564366366 /nfs/dbraw/zinc/36/63/66/564366366.db2.gz HQXLEQQXLXVFLP-LSDHHAIUSA-N 1 0 394.484 2.906 20 0 GFADRO CC[N@@H+]1CCCC[C@@H]1C(=O)NCc1noc(-c2cccc(Br)c2)n1 ZINC000477157560 564366910 /nfs/dbraw/zinc/36/69/10/564366910.db2.gz RFXFJNGLMZNXRD-CQSZACIVSA-N 1 0 393.285 2.990 20 0 GFADRO COC[C@]1(CO)CC[N@@H+]([C@@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)C1 ZINC000451921381 564367587 /nfs/dbraw/zinc/36/75/87/564367587.db2.gz BUTKPZNOMATMQY-ZJNRKIDTSA-N 1 0 389.323 2.890 20 0 GFADRO Cc1cc(S(=O)(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c(C)cc1Br ZINC000451925351 564367647 /nfs/dbraw/zinc/36/76/47/564367647.db2.gz FFZTZGOVKVIXRU-AGUYFDCRSA-N 1 0 387.343 2.969 20 0 GFADRO O=C(CC[N@@H+]1CCO[C@]2(CCSC2)C1)Nc1cccc(Br)c1 ZINC000567349526 564367859 /nfs/dbraw/zinc/36/78/59/564367859.db2.gz SBPNNDVZQNEGTB-MRXNPFEDSA-N 1 0 385.327 2.986 20 0 GFADRO CN([C@H]1CC[NH2+]C1)S(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000567351394 564368010 /nfs/dbraw/zinc/36/80/10/564368010.db2.gz LWVWXNWOOOSEPR-JTQLQIEISA-N 1 0 376.322 2.707 20 0 GFADRO Cc1ccc(OC[C@@H](O)C[NH2+]Cc2ccc(S(C)(=O)=O)c(Cl)c2)cc1 ZINC000567379010 564368873 /nfs/dbraw/zinc/36/88/73/564368873.db2.gz ZKKHMPXLDJZHJY-HNNXBMFYSA-N 1 0 383.897 2.581 20 0 GFADRO CC[NH+](CC)CCN(CCOC)C(=O)c1cn2ccc(Br)cc2n1 ZINC000511414358 564371686 /nfs/dbraw/zinc/37/16/86/564371686.db2.gz WWPJKZFIPQZZEC-UHFFFAOYSA-N 1 0 397.317 2.527 20 0 GFADRO COc1ccc(C(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1I ZINC000477287987 564372595 /nfs/dbraw/zinc/37/25/95/564372595.db2.gz YJBMGVKNGPDJAP-JQWIXIFHSA-N 1 0 388.249 2.512 20 0 GFADRO CC[N@@H+]1CCCC[C@H]1CNC(=O)NCc1cc2c(c(Br)c1)OCO2 ZINC000567509091 564374265 /nfs/dbraw/zinc/37/42/65/564374265.db2.gz VXWDMPYEWOHWRF-ZDUSSCGKSA-N 1 0 398.301 2.851 20 0 GFADRO O=C([C@H]1Cc2ccccc2C[NH2+]1)N1CCOc2ccc(Br)cc2C1 ZINC000567502957 564374827 /nfs/dbraw/zinc/37/48/27/564374827.db2.gz SVALSLSRGVKSLA-QGZVFWFLSA-N 1 0 387.277 2.885 20 0 GFADRO C[C@@](CO)([NH2+]C[C@@H](O)COc1ccccc1F)c1ccc(Br)cc1 ZINC000511548224 564375033 /nfs/dbraw/zinc/37/50/33/564375033.db2.gz XLSKCZWZWVHPSV-QAPCUYQASA-N 1 0 398.272 2.825 20 0 GFADRO Cc1ccc(S(=O)(=O)C[C@@H](C)[NH2+]Cc2ccc(C[S@@](C)=O)cc2)cc1 ZINC000567532344 564375823 /nfs/dbraw/zinc/37/58/23/564375823.db2.gz USBKPAGEGJRVCF-VOIUYBSRSA-N 1 0 379.547 2.826 20 0 GFADRO C[C@](CO)([NH2+]CC(=O)NC(C1CC1)C1CC1)c1ccc(Br)cc1 ZINC000511587022 564376751 /nfs/dbraw/zinc/37/67/51/564376751.db2.gz IQXSGVZFUQAPPX-GOSISDBHSA-N 1 0 381.314 2.551 20 0 GFADRO CC[N@@H+]1CCN(Cc2nc(Cc3cccc(Br)c3)no2)[C@H](C)C1 ZINC000511608434 564377656 /nfs/dbraw/zinc/37/76/56/564377656.db2.gz CPTSXBKAAWUGEV-CYBMUJFWSA-N 1 0 379.302 2.949 20 0 GFADRO C[C@@H]1CN(S(=O)(=O)c2ccc(C[NH+](C)C)cc2)C[C@H](c2ccsc2)O1 ZINC000477482736 564378466 /nfs/dbraw/zinc/37/84/66/564378466.db2.gz SYGJKYAROUJWER-RDTXWAMCSA-N 1 0 380.535 2.960 20 0 GFADRO O[C@H](C[NH2+]CCc1cn2ccccc2n1)COc1ccc(Br)cc1 ZINC000567581583 564378992 /nfs/dbraw/zinc/37/89/92/564378992.db2.gz IFHGQNJKEPINGS-MRXNPFEDSA-N 1 0 390.281 2.669 20 0 GFADRO Cc1cc(C(=O)NCCNc2cc[nH+]cc2)c2cc(Br)ccc2n1 ZINC000511771144 564381003 /nfs/dbraw/zinc/38/10/03/564381003.db2.gz NWLBHMDQFUOLFW-UHFFFAOYSA-N 1 0 385.265 2.965 20 0 GFADRO O=C(Cn1cc(Br)cn1)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000511770876 564381355 /nfs/dbraw/zinc/38/13/55/564381355.db2.gz UCZKNSGGUYLMGQ-ZDUSSCGKSA-N 1 0 383.315 2.660 20 0 GFADRO OCC1(C[NH2+]Cc2ncc(I)s2)CC2(CCC2)C1 ZINC000511795944 564382586 /nfs/dbraw/zinc/38/25/86/564382586.db2.gz JNVZRNLGZNTZNB-UHFFFAOYSA-N 1 0 378.279 2.780 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@H](NCCS(=O)(=O)c2cccc(Br)c2)C1 ZINC000567683520 564383209 /nfs/dbraw/zinc/38/32/09/564383209.db2.gz PYZJHPWFQQSJJQ-LSDHHAIUSA-N 1 0 389.359 2.685 20 0 GFADRO COC(=O)[C@H](c1cc(Cl)cc(Cl)c1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000477648059 564383142 /nfs/dbraw/zinc/38/31/42/564383142.db2.gz XCYXQQMPRIINFK-DYVFJYSZSA-N 1 0 387.307 2.862 20 0 GFADRO C[C@@H]([NH2+]C[C@H]1CCCN1Cc1ccc(I)cc1)[C@H](C)O ZINC000567700615 564384293 /nfs/dbraw/zinc/38/42/93/564384293.db2.gz NBVQYTIUSRWDPI-DVOMOZLQSA-N 1 0 388.293 2.615 20 0 GFADRO C[NH+](C)CCCN(C(=O)c1ccc(C(C)(C)C)s1)[C@H]1CCS(=O)(=O)C1 ZINC000477745366 564386077 /nfs/dbraw/zinc/38/60/77/564386077.db2.gz LRPHQCFQBDLELH-AWEZNQCLSA-N 1 0 386.583 2.627 20 0 GFADRO Cc1nn(C)c(C)c1CCC[NH2+]Cc1ncc(I)s1 ZINC000511978621 564387654 /nfs/dbraw/zinc/38/76/54/564387654.db2.gz OADDKJGIYZFDQX-UHFFFAOYSA-N 1 0 390.294 2.820 20 0 GFADRO CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)NCCNc1ncc(C(F)(F)F)cc1Cl ZINC000567775260 564388264 /nfs/dbraw/zinc/38/82/64/564388264.db2.gz FWTRBTLCNLUAIF-YPMHNXCESA-N 1 0 378.826 2.916 20 0 GFADRO CCS(=O)(=O)N1CC(C[NH2+][C@H](C)c2cc(C)c(Br)s2)C1 ZINC000511992706 564388902 /nfs/dbraw/zinc/38/89/02/564388902.db2.gz VIEAGOMTGSAABV-SNVBAGLBSA-N 1 0 381.361 2.751 20 0 GFADRO CC[C@H](C)[NH2+][C@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 ZINC000477921975 564390942 /nfs/dbraw/zinc/39/09/42/564390942.db2.gz PKIFWIBEPBJJMT-JSGCOSHPSA-N 1 0 375.332 2.990 20 0 GFADRO COc1cnccc1[C@H](C)NC(=O)[C@](C)([NH3+])c1ccc(Br)cc1 ZINC000567824722 564391194 /nfs/dbraw/zinc/39/11/94/564391194.db2.gz BMAOHCAQBBHYLR-APPDUMDISA-N 1 0 378.270 2.904 20 0 GFADRO C[C@H]([NH2+]Cc1ncc(I)s1)[C@H](O)Cc1ccccc1 ZINC000512085019 564391465 /nfs/dbraw/zinc/39/14/65/564391465.db2.gz ZWUDBSUZMZPXNM-CMPLNLGQSA-N 1 0 388.274 2.829 20 0 GFADRO CC(C)(CN1CCCC1)[NH2+]C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000452097401 564391841 /nfs/dbraw/zinc/39/18/41/564391841.db2.gz QUHYWPQRNCTYSZ-HNNXBMFYSA-N 1 0 389.309 2.792 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)N1CC[NH+]([C@@H](CC)CO)CC1 ZINC000477953815 564391881 /nfs/dbraw/zinc/39/18/81/564391881.db2.gz DBYJHWICIRORDX-HNNXBMFYSA-N 1 0 384.318 2.932 20 0 GFADRO O=S(=O)(c1cc(F)ccc1OC(F)F)N1CCC([NH2+]CC2CC2)CC1 ZINC000567851587 564392439 /nfs/dbraw/zinc/39/24/39/564392439.db2.gz QOLBNNNQRAISQX-UHFFFAOYSA-N 1 0 378.416 2.580 20 0 GFADRO Cc1cccc(I)c1C(=O)N[C@H](C)C1=CC[N@H+](C)CC1 ZINC000512141791 564392942 /nfs/dbraw/zinc/39/29/42/564392942.db2.gz CDKVZTQSWQYMIX-GFCCVEGCSA-N 1 0 384.261 2.980 20 0 GFADRO [NH3+]C[C@H]1CC[C@H](CNS(=O)(=O)c2cc(Cl)ccc2OC(F)F)CC1 ZINC000567861680 564393098 /nfs/dbraw/zinc/39/30/98/564393098.db2.gz NQDBQFYNZLFUNR-XYPYZODXSA-N 1 0 382.860 2.985 20 0 GFADRO CC(C)[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2cc(F)c(Br)cc2F)C1 ZINC000452107192 564393865 /nfs/dbraw/zinc/39/38/65/564393865.db2.gz RSJJJTNQORANBT-JTQLQIEISA-N 1 0 397.285 2.831 20 0 GFADRO C[C@H](NC(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1)[C@@H]1CCC[NH2+]C1 ZINC000567871721 564393898 /nfs/dbraw/zinc/39/38/98/564393898.db2.gz JKDUTPJVXHLQEH-SQWLQELKSA-N 1 0 395.345 2.715 20 0 GFADRO Cc1cc(S(=O)(=O)N(C)[C@@H]2CC[N@@H+](C(C)C)C2)sc1Br ZINC000452107265 564393958 /nfs/dbraw/zinc/39/39/58/564393958.db2.gz SBMSOFALFXKSBS-LLVKDONJSA-N 1 0 381.361 2.922 20 0 GFADRO CC(C)[C@@H](O)C(C)(C)C[NH2+]CCS(=O)(=O)c1cccc(Br)c1 ZINC000567872514 564393998 /nfs/dbraw/zinc/39/39/98/564393998.db2.gz ANRDZRWTMSPEOE-OAHLLOKOSA-N 1 0 392.359 2.856 20 0 GFADRO Cc1cccc(S(=O)(=O)N(C)[C@@H]2CC[N@@H+](C(C)C)C2)c1Br ZINC000452106673 564394245 /nfs/dbraw/zinc/39/42/45/564394245.db2.gz QTPUHXRVZATQCQ-CYBMUJFWSA-N 1 0 375.332 2.861 20 0 GFADRO COC(=O)c1ccc(S(=O)(=O)NCC2(C[NH+](C)C)CCCC2)c(Cl)c1 ZINC000544726792 564396359 /nfs/dbraw/zinc/39/63/59/564396359.db2.gz WLUZMKYLMOGUHT-UHFFFAOYSA-N 1 0 388.917 2.527 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1cc(Br)c(F)cc1C ZINC000478164175 564397054 /nfs/dbraw/zinc/39/70/54/564397054.db2.gz ASLDNWUGEKTRBK-NSHDSACASA-N 1 0 379.295 2.659 20 0 GFADRO CC[N@H+](CCNC(=O)COc1ccc(Br)cc1C(C)=O)C(C)C ZINC000512327503 564397541 /nfs/dbraw/zinc/39/75/41/564397541.db2.gz GAXVTLTUZZLYKV-UHFFFAOYSA-N 1 0 385.302 2.877 20 0 GFADRO C[C@@H](Sc1ccccc1C(=O)NC[C@H](c1cccs1)[NH+](C)C)C(N)=O ZINC000512314569 564398135 /nfs/dbraw/zinc/39/81/35/564398135.db2.gz HLWSHLPQIHCQGQ-TZMCWYRMSA-N 1 0 377.535 2.747 20 0 GFADRO C[C@@H]1CN(C(=O)c2cccc(I)c2)CC[N@@H+](C2CC2)C1 ZINC000452170051 564398219 /nfs/dbraw/zinc/39/82/19/564398219.db2.gz JTUHUMSZJPQPDB-LBPRGKRZSA-N 1 0 384.261 2.848 20 0 GFADRO CC[NH+](CC)Cc1ccccc1CNC(=O)Cn1cc(Br)cn1 ZINC000512351455 564398539 /nfs/dbraw/zinc/39/85/39/564398539.db2.gz BOBHKRZXAOGTKB-UHFFFAOYSA-N 1 0 379.302 2.804 20 0 GFADRO CCCN(CC[NH+](C)C)C(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000478365943 564400194 /nfs/dbraw/zinc/40/01/94/564400194.db2.gz BXMBQICLDCPEBK-AWEZNQCLSA-N 1 0 396.329 2.602 20 0 GFADRO COc1cc(Br)cc(S(=O)(=O)NCC[N@H+](C)C2CCCC2)c1 ZINC000544840773 564401055 /nfs/dbraw/zinc/40/10/55/564401055.db2.gz BLLSCARZFZAFLE-UHFFFAOYSA-N 1 0 391.331 2.610 20 0 GFADRO C[C@@H](C[NH+](C)C)NC(=O)N1CCO[C@@H](c2ccc(F)c(Br)c2)C1 ZINC000512421580 564401446 /nfs/dbraw/zinc/40/14/46/564401446.db2.gz KTCIKAZVQUZCLS-XHDPSFHLSA-N 1 0 388.281 2.621 20 0 GFADRO [NH3+]CCC1CCN(C(=O)NCc2cc(Br)cc3c2OCC3)CC1 ZINC000568052016 564402392 /nfs/dbraw/zinc/40/23/92/564402392.db2.gz JFACDBBHCLCXEQ-UHFFFAOYSA-N 1 0 382.302 2.654 20 0 GFADRO CC(C)C[C@@H](CNC(=O)c1ccc(I)c(O)c1)[NH+](C)C ZINC000544894178 564403323 /nfs/dbraw/zinc/40/33/23/564403323.db2.gz OQNKKPBIPAAWHO-LBPRGKRZSA-N 1 0 390.265 2.703 20 0 GFADRO COc1ccc(S(=O)(=O)NCc2ccc(CC[NH+](C)C)cc2)c(Cl)c1 ZINC000568058944 564403782 /nfs/dbraw/zinc/40/37/82/564403782.db2.gz MILZNZQHGMOOEE-UHFFFAOYSA-N 1 0 382.913 2.931 20 0 GFADRO C[C@@H](C[NH2+]C[C@H]1CCN(S(=O)(=O)c2cccs2)C1)CC1CCOCC1 ZINC000512552798 564404823 /nfs/dbraw/zinc/40/48/23/564404823.db2.gz UTQYGGLAVJZXSS-NVXWUHKLSA-N 1 0 386.583 2.801 20 0 GFADRO C[C@@H](Cc1ccc(Br)cc1)C(=O)NC[C@H]1CCC[N@@H+]1CCCO ZINC000452349829 564408017 /nfs/dbraw/zinc/40/80/17/564408017.db2.gz CBVOTEHQICAXLF-WMLDXEAASA-N 1 0 383.330 2.591 20 0 GFADRO CCSCCCNC(=O)C(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000512739274 564409501 /nfs/dbraw/zinc/40/95/01/564409501.db2.gz IXCAFJOSLKMOTF-HOCLYGCPSA-N 1 0 383.583 2.507 20 0 GFADRO O=C(NC[C@H]1CCCC[N@H+]1CCO)c1cc(F)c(Br)c(Cl)c1 ZINC000452377917 564410447 /nfs/dbraw/zinc/41/04/47/564410447.db2.gz NWJFNHYENOMRPF-LLVKDONJSA-N 1 0 393.684 2.818 20 0 GFADRO C[C@H](Cc1ccc(Br)cc1)C(=O)NC[C@@H]1CCCC[N@@H+]1CCO ZINC000452379121 564411610 /nfs/dbraw/zinc/41/16/10/564411610.db2.gz QITANOYGFLBITD-PBHICJAKSA-N 1 0 383.330 2.591 20 0 GFADRO CC[C@H](Cc1ccccc1Br)C(=O)NC[C@@H]1CCCC[N@@H+]1CCO ZINC000452395400 564412674 /nfs/dbraw/zinc/41/26/74/564412674.db2.gz WOJPUOSVQMVYBM-WBVHZDCISA-N 1 0 397.357 2.981 20 0 GFADRO C[NH+](C)[C@H](CNc1ncc(I)cn1)c1ccc(F)cc1 ZINC000545206313 564413407 /nfs/dbraw/zinc/41/34/07/564413407.db2.gz IBGNENBXOBJSEE-CYBMUJFWSA-N 1 0 386.212 2.935 20 0 GFADRO CS(=O)(=O)N[C@@H]1CCCC[C@@H]1C[NH2+]Cc1ccc(OC(F)(F)F)cc1 ZINC000512849353 564413530 /nfs/dbraw/zinc/41/35/30/564413530.db2.gz DHZDKNGCPZKFFM-UKRRQHHQSA-N 1 0 380.432 2.783 20 0 GFADRO Cc1ccc(OC(F)F)c(C[NH2+]C[C@H]2CCCC[C@H]2NS(C)(=O)=O)c1 ZINC000512850558 564413586 /nfs/dbraw/zinc/41/35/86/564413586.db2.gz JRAPKTFQQKFQSZ-UKRRQHHQSA-N 1 0 376.469 2.794 20 0 GFADRO CS(=O)(=O)N[C@@H]1CCCC[C@@H]1C[NH2+]Cc1ccc(Br)s1 ZINC000512859195 564414675 /nfs/dbraw/zinc/41/46/75/564414675.db2.gz ASRYPZZLZMGDLD-ZYHUDNBSSA-N 1 0 381.361 2.708 20 0 GFADRO CS(=O)(=O)N[C@H]1CCCC[C@H]1C[NH2+]Cc1ccc(F)c(Br)c1 ZINC000512869294 564414829 /nfs/dbraw/zinc/41/48/29/564414829.db2.gz QANDAHRDOVWLTE-WFASDCNBSA-N 1 0 393.322 2.786 20 0 GFADRO CS(=O)(=O)N[C@@H]1CCCC[C@H]1C[NH2+]Cc1ccc(Br)s1 ZINC000512859192 564414926 /nfs/dbraw/zinc/41/49/26/564414926.db2.gz ASRYPZZLZMGDLD-CMPLNLGQSA-N 1 0 381.361 2.708 20 0 GFADRO CCn1ccnc1[C@@H]1CCCCN1C(=O)NCc1nn(C)cc1Br ZINC000568364804 564415874 /nfs/dbraw/zinc/41/58/74/564415874.db2.gz YHZHHUBNZMQCMY-AWEZNQCLSA-N 1 0 395.305 2.836 20 0 GFADRO CS(=O)(=O)N[C@H]1CCCC[C@@H]1C[NH2+]Cc1cccc(Br)c1 ZINC000512909398 564416175 /nfs/dbraw/zinc/41/61/75/564416175.db2.gz XZLDDAZPDBNMNM-HIFRSBDPSA-N 1 0 375.332 2.647 20 0 GFADRO Fc1cc(Br)ccc1C[NH2+]C[C@@H](N1CCOCC1)C(F)(F)F ZINC000512976866 564416897 /nfs/dbraw/zinc/41/68/97/564416897.db2.gz BOZGQGKNDDOOMB-CYBMUJFWSA-N 1 0 385.199 2.941 20 0 GFADRO CCO[C@@H]1C[C@H]([NH2+]Cc2cc(OC)c(O)cc2Br)[C@]12CCCO2 ZINC000545349871 564417771 /nfs/dbraw/zinc/41/77/71/564417771.db2.gz XJMRCZLHGNWDRB-GVDBMIGSSA-N 1 0 386.286 2.980 20 0 GFADRO CS(=O)(=O)N1CCCC[C@@H]1C[NH2+]Cc1cccc(OCC(F)(F)F)c1 ZINC000513001900 564418008 /nfs/dbraw/zinc/41/80/08/564418008.db2.gz PCHDMVPRPYSTPO-CQSZACIVSA-N 1 0 380.432 2.531 20 0 GFADRO CS(=O)(=O)N1CCCC[C@H]1C[NH2+]Cc1cc(Cl)ccc1OC(F)F ZINC000513031378 564418676 /nfs/dbraw/zinc/41/86/76/564418676.db2.gz FCCLKAWMBFCPAK-ZDUSSCGKSA-N 1 0 382.860 2.845 20 0 GFADRO Cc1ccc(Br)c(S(=O)(=O)NCC[NH2+]CC2(C)CCC2)c1 ZINC000513039704 564418860 /nfs/dbraw/zinc/41/88/60/564418860.db2.gz COJOLTQTIMYPDB-UHFFFAOYSA-N 1 0 375.332 2.816 20 0 GFADRO Cc1cc(C[NH2+][C@@H]2CCCN(S(=O)(=O)C3CC3)C2)ccc1Br ZINC000513093739 564420283 /nfs/dbraw/zinc/42/02/83/564420283.db2.gz DKWIOGCNXMSQJE-CQSZACIVSA-N 1 0 387.343 2.804 20 0 GFADRO CCOC(=O)C[C@H](NC(=O)[C@H]1CC[NH2+][C@@H](C)C1)c1ccc(Br)cc1 ZINC000478971142 564420449 /nfs/dbraw/zinc/42/04/49/564420449.db2.gz YSKMJDQNUWJZQI-NOLJZWGESA-N 1 0 397.313 2.948 20 0 GFADRO Cc1ccc(Br)c(S(=O)(=O)NCC[NH2+]C2CCCCC2)c1 ZINC000513116709 564420586 /nfs/dbraw/zinc/42/05/86/564420586.db2.gz JZIARFAWTCBOIM-UHFFFAOYSA-N 1 0 375.332 2.958 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)C(=O)N1CC[C@H]([NH+](CC)CC)C1 ZINC000479021831 564422454 /nfs/dbraw/zinc/42/24/54/564422454.db2.gz KILNRRMXFOAFDU-HNNXBMFYSA-N 1 0 396.329 2.893 20 0 GFADRO Cn1ccc(CC[NH2+]C2CCN(Cc3ccccc3Br)CC2)n1 ZINC000545465080 564424494 /nfs/dbraw/zinc/42/44/94/564424494.db2.gz MIZBSSBTYDILCG-UHFFFAOYSA-N 1 0 377.330 2.979 20 0 GFADRO CCC(CC)(NC(=O)C1CN([C@H](C)c2cccc(Br)c2)C1)C(N)=O ZINC000513242525 564424809 /nfs/dbraw/zinc/42/48/09/564424809.db2.gz SPWOYOWWPQIDAW-GFCCVEGCSA-N 1 0 396.329 2.602 20 0 GFADRO C[C@@H](C[NH2+]Cc1cn(-c2ccccc2Br)nn1)Cn1cccn1 ZINC000568568958 564424754 /nfs/dbraw/zinc/42/47/54/564424754.db2.gz VNCKAENTGPXWEL-ZDUSSCGKSA-N 1 0 375.274 2.652 20 0 GFADRO CC[NH+]1CCN(CC(=O)N(Cc2ccc(Br)cc2)C(C)C)CC1 ZINC000513280149 564425704 /nfs/dbraw/zinc/42/57/04/564425704.db2.gz WVVGIBWYHYZUOT-UHFFFAOYSA-N 1 0 382.346 2.824 20 0 GFADRO C[C@H]1C[C@@H](N(C)C(=O)c2ccc(I)c(O)c2)CC[N@@H+]1C ZINC000545506684 564426368 /nfs/dbraw/zinc/42/63/68/564426368.db2.gz VSLWHHFSDQLPHJ-JQWIXIFHSA-N 1 0 388.249 2.552 20 0 GFADRO C[N@H+](Cc1ccccc1)C1CN(C(=O)Nc2ccncc2Br)C1 ZINC000479133874 564426589 /nfs/dbraw/zinc/42/65/89/564426589.db2.gz RVZLRWVBKYAEJT-UHFFFAOYSA-N 1 0 375.270 2.614 20 0 GFADRO Cn1cc(Br)c(CNC(=O)c2cccc(C[NH+]3CCCC3)c2)n1 ZINC000452755977 564429696 /nfs/dbraw/zinc/42/96/96/564429696.db2.gz NXWXSXLHLVAMMR-UHFFFAOYSA-N 1 0 377.286 2.708 20 0 GFADRO CC(=O)N1CCC[N@H+](C[C@@H]2CCCN(C(=O)c3csc(Cl)c3)C2)CC1 ZINC000452811874 564433301 /nfs/dbraw/zinc/43/33/01/564433301.db2.gz IFWGQEDBRFTMSE-HNNXBMFYSA-N 1 0 383.945 2.808 20 0 GFADRO C[C@@H](Cc1ccc(Br)cc1)[NH2+]CCN1C(=O)NC2(CCCC2)C1=O ZINC000479282300 564434741 /nfs/dbraw/zinc/43/47/41/564434741.db2.gz IJBWAXSIEVWSJD-ZDUSSCGKSA-N 1 0 394.313 2.834 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH2+]C[C@H]1COCCO1 ZINC000513631915 564434918 /nfs/dbraw/zinc/43/49/18/564434918.db2.gz JTXIZFUMPKCYKM-INIZCTEOSA-N 1 0 380.286 2.757 20 0 GFADRO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1c1nnc(-c2ccc(Br)cc2)n1C ZINC000568815224 564436337 /nfs/dbraw/zinc/43/63/37/564436337.db2.gz NPTPJLAWWVQOEU-IUODEOHRSA-N 1 0 376.302 2.918 20 0 GFADRO CC1(C)C[C@@H]([NH2+]CCCNS(C)(=O)=O)c2cc(Br)ccc21 ZINC000479364103 564437241 /nfs/dbraw/zinc/43/72/41/564437241.db2.gz VWUODHDFLAXDMU-CQSZACIVSA-N 1 0 375.332 2.700 20 0 GFADRO Cc1cc(CNC(=O)N[C@H](C)C[C@@H](C)[NH3+])ccc1I ZINC000568864138 564438003 /nfs/dbraw/zinc/43/80/03/564438003.db2.gz YZOVFHWFRNPZFR-GHMZBOCLSA-N 1 0 375.254 2.525 20 0 GFADRO COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000568865333 564439020 /nfs/dbraw/zinc/43/90/20/564439020.db2.gz GQVHDBMGRMZQEC-UKRRQHHQSA-N 1 0 390.933 2.564 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(C(=O)CCCC(=O)c3ccc(Br)cc3)C[C@@H]21 ZINC000452962024 564439637 /nfs/dbraw/zinc/43/96/37/564439637.db2.gz BLLFLVBJALLYBM-ZBFHGGJFSA-N 1 0 379.298 2.965 20 0 GFADRO CS(=O)(=O)N1CCC[C@@H]1C[NH2+][C@@H]1CCCc2cc(Br)ccc21 ZINC000479416191 564440131 /nfs/dbraw/zinc/44/01/31/564440131.db2.gz WKRYLTPUTJRQOQ-GDBMZVCRSA-N 1 0 387.343 2.840 20 0 GFADRO CC[NH+](CC)CCN(CCC(F)(F)F)S(=O)(=O)c1cn(C(C)C)cn1 ZINC000513850117 564440965 /nfs/dbraw/zinc/44/09/65/564440965.db2.gz NJXXWVNSOPNSQM-UHFFFAOYSA-N 1 0 384.468 2.749 20 0 GFADRO O=C(NCCC[NH+]1CCCC1)NCc1cc(Br)c2c(c1)OCCO2 ZINC000514013836 564445073 /nfs/dbraw/zinc/44/50/73/564445073.db2.gz RVTOCYWUIZOZSS-UHFFFAOYSA-N 1 0 398.301 2.505 20 0 GFADRO CN1CCN(C(=O)CC[NH2+][C@H](Cc2ccccc2Br)C2CC2)CC1 ZINC000453104638 564446591 /nfs/dbraw/zinc/44/65/91/564446591.db2.gz FOHXXMVXSFQBOT-GOSISDBHSA-N 1 0 394.357 2.524 20 0 GFADRO CCc1sc(-c2nnc(CSc3nnnn3CC[NH+](C)C)o2)cc1C ZINC000479666595 564446878 /nfs/dbraw/zinc/44/68/78/564446878.db2.gz PVCZUNDSYQSYRP-UHFFFAOYSA-N 1 0 379.515 2.509 20 0 GFADRO Cn1cc(Br)c(CNC(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)n1 ZINC000569079390 564448207 /nfs/dbraw/zinc/44/82/07/564448207.db2.gz UAMUNKATGQHZTG-AWEZNQCLSA-N 1 0 398.349 2.779 20 0 GFADRO C[C@H]([NH2+]C[C@@H](O)C1CCOCC1)c1ccc(F)c(I)c1 ZINC000453133297 564448252 /nfs/dbraw/zinc/44/82/52/564448252.db2.gz AUFCWYQPVFXISO-ZUZCIYMTSA-N 1 0 393.240 2.868 20 0 GFADRO C[C@H]([NH2+]CCn1cc(Br)ccc1=O)c1ccc(C(=O)N(C)C)cc1 ZINC000453245756 564450383 /nfs/dbraw/zinc/45/03/83/564450383.db2.gz IOAIKWKGSRDVEJ-ZDUSSCGKSA-N 1 0 392.297 2.663 20 0 GFADRO Cc1c(Br)cccc1CNC(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000569139928 564451068 /nfs/dbraw/zinc/45/10/68/564451068.db2.gz ZIZAVBMRRMGLRC-SJORKVTESA-N 1 0 396.329 2.795 20 0 GFADRO CO[C@@H]1COCC[C@H]1C[NH2+][C@H](C)c1ccc(I)cc1 ZINC000453288307 564452177 /nfs/dbraw/zinc/45/21/77/564452177.db2.gz JLEOOYRASREYEX-OSAQELSMSA-N 1 0 375.250 2.993 20 0 GFADRO C[C@@H]([NH2+]CCN1C[C@H]2CC[C@@H](C1)O2)c1ccc(I)cc1 ZINC000453323137 564453119 /nfs/dbraw/zinc/45/31/19/564453119.db2.gz ANJDVAMEWNZHSN-WQVCFCJDSA-N 1 0 386.277 2.805 20 0 GFADRO CO[C@@H]([C@H](C)[NH2+][C@H](C)c1ccc(Br)c(S(N)(=O)=O)c1)C1CC1 ZINC000453351461 564453920 /nfs/dbraw/zinc/45/39/20/564453920.db2.gz HEFZVONTSIIMRG-FTGAXOIBSA-N 1 0 391.331 2.561 20 0 GFADRO C[C@H](Cc1cnccn1)[NH2+]C[C@@H](CO)Cc1cc(Br)ccc1F ZINC000453340363 564454028 /nfs/dbraw/zinc/45/40/28/564454028.db2.gz BQWQPEXXRYOZMG-OLZOCXBDSA-N 1 0 382.277 2.750 20 0 GFADRO C[N@@H+](Cc1ccc(Br)c(F)c1)C[C@@H](O)COC[C@@H]1CCCO1 ZINC000514703653 564454506 /nfs/dbraw/zinc/45/45/06/564454506.db2.gz NMCZRDRPWGFMCD-KGLIPLIRSA-N 1 0 376.266 2.577 20 0 GFADRO COC(=O)CNC(=O)CC[N@@H+]1CCCC[C@@H]1Cc1ccccc1Br ZINC000569242675 564455430 /nfs/dbraw/zinc/45/54/30/564455430.db2.gz HILLYJCJCWHGIW-OAHLLOKOSA-N 1 0 397.313 2.525 20 0 GFADRO C[C@H]([NH2+]C[C@H](CO)Cc1cc(Br)ccc1F)c1ccc(=O)[nH]n1 ZINC000453387908 564455697 /nfs/dbraw/zinc/45/56/97/564455697.db2.gz WEYMGIAFTSKPAM-WDEREUQCSA-N 1 0 384.249 2.586 20 0 GFADRO CC[C@H](O)[C@H](CC)[NH2+][C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000453379677 564456025 /nfs/dbraw/zinc/45/60/25/564456025.db2.gz QZQRKMLACOUQNA-MJBXVCDLSA-N 1 0 376.316 2.807 20 0 GFADRO C[C@@H]([NH2+]C[C@]1(C)CCC(=O)N1)c1ccc(F)c(I)c1 ZINC000453433526 564457166 /nfs/dbraw/zinc/45/71/66/564457166.db2.gz SQDPLQVRBGIANS-OTYXRUKQSA-N 1 0 376.213 2.750 20 0 GFADRO C[N@@H+]1CC[C@@](O)(CNC(=O)CCCSc2ccc(Br)cc2)C1 ZINC000546571361 564459495 /nfs/dbraw/zinc/45/94/95/564459495.db2.gz JISZDSQOEBPJHA-MRXNPFEDSA-N 1 0 387.343 2.504 20 0 GFADRO O=C(COc1ccc(Br)cc1F)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000569359778 564459737 /nfs/dbraw/zinc/45/97/37/564459737.db2.gz OUXPJJGALUIZFS-QWHCGFSZSA-N 1 0 385.277 2.815 20 0 GFADRO Cc1cc(C[C@H](C)[NH2+][C@H]2CCS(=O)(=O)c3ccc(Br)cc32)[nH]n1 ZINC000480159863 564461170 /nfs/dbraw/zinc/46/11/70/564461170.db2.gz MXRUYCVYRUBVCA-BONVTDFDSA-N 1 0 398.326 2.920 20 0 GFADRO C[C@H](CO)CCC[NH2+][C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000480168098 564462080 /nfs/dbraw/zinc/46/20/80/564462080.db2.gz UCMKONBPZLOXBO-FZMZJTMJSA-N 1 0 376.316 2.666 20 0 GFADRO O=C(Nc1cc(Cl)cc(Br)c1)C(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000453657296 564462687 /nfs/dbraw/zinc/46/26/87/564462687.db2.gz OHLXWTPHBIFNFA-CQSZACIVSA-N 1 0 398.688 2.514 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)C(=O)Nc2cc(Cl)cc(Br)c2)CC[N@@H+]1C ZINC000453663103 564462965 /nfs/dbraw/zinc/46/29/65/564462965.db2.gz TWGASQABQINONX-BXKDBHETSA-N 1 0 388.693 2.640 20 0 GFADRO C[NH+](C)CC1(NC(=O)c2ccc(-n3cc(Br)cn3)cc2)CCC1 ZINC000546666015 564464259 /nfs/dbraw/zinc/46/42/59/564464259.db2.gz GZMUJVBXSOIGTO-UHFFFAOYSA-N 1 0 377.286 2.849 20 0 GFADRO CCSc1cccc(NC(=O)C(=O)NCC2(SC)CC[NH+](C)CC2)c1 ZINC000514974367 564465120 /nfs/dbraw/zinc/46/51/20/564465120.db2.gz FZMBQFJZUVBUMD-UHFFFAOYSA-N 1 0 381.567 2.681 20 0 GFADRO CC[N@@H+]1CC[C@@H](CN[C@@H]2CCS(=O)(=O)c3ccc(Br)cc32)C1 ZINC000480227107 564465210 /nfs/dbraw/zinc/46/52/10/564465210.db2.gz MWYPGZSMNZAVFY-SWLSCSKDSA-N 1 0 387.343 2.599 20 0 GFADRO CCN(CC)C[C@H](C)[NH2+][C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000480251156 564465703 /nfs/dbraw/zinc/46/57/03/564465703.db2.gz HBQRIVSGUFWYFA-SWLSCSKDSA-N 1 0 389.359 2.988 20 0 GFADRO COC(=O)CC1([NH2+]CC(=O)Nc2ccc(Br)cc2Cl)CC1 ZINC000569489090 564466045 /nfs/dbraw/zinc/46/60/45/564466045.db2.gz GXPWHVXANDDODL-UHFFFAOYSA-N 1 0 375.650 2.726 20 0 GFADRO CN(C(=O)Nc1ccnn1Cc1cccc(Br)c1)[C@H]1CC[NH2+]C1 ZINC000515045993 564466591 /nfs/dbraw/zinc/46/65/91/564466591.db2.gz HOSYAKPMFFRANV-AWEZNQCLSA-N 1 0 378.274 2.520 20 0 GFADRO Cc1cc(Br)ccc1C(=O)N1CCC([NH2+]Cc2ncccn2)CC1 ZINC000569501402 564467151 /nfs/dbraw/zinc/46/71/51/564467151.db2.gz BFIVXYBNFVUQCY-UHFFFAOYSA-N 1 0 389.297 2.942 20 0 GFADRO C[C@H](Oc1cccc(Br)c1)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000480290277 564467748 /nfs/dbraw/zinc/46/77/48/564467748.db2.gz XMNOIFKRPIDGTD-LRDDRELGSA-N 1 0 387.343 2.770 20 0 GFADRO Cn1ncc(Br)c1CNc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000569543566 564468180 /nfs/dbraw/zinc/46/81/80/564468180.db2.gz DVFRRTNSORCDMD-UHFFFAOYSA-N 1 0 378.318 2.542 20 0 GFADRO O=S1(=O)CC[C@@H]([NH2+]CCCn2ccnc2)c2cc(Br)ccc21 ZINC000480329273 564468408 /nfs/dbraw/zinc/46/84/08/564468408.db2.gz PQZTYMFILRSYRG-CQSZACIVSA-N 1 0 384.299 2.544 20 0 GFADRO O=C(NC[C@H]1C[NH2+]CCCO1)N1CCc2sccc2[C@@H]1c1cccs1 ZINC000569579179 564469905 /nfs/dbraw/zinc/46/99/05/564469905.db2.gz WDQHTECTSDFFNC-CXAGYDPISA-N 1 0 377.535 2.845 20 0 GFADRO COC[C@@H](C)OC[C@H](O)C[NH2+]CC1(c2ccc(Br)s2)CCC1 ZINC000515188220 564471762 /nfs/dbraw/zinc/47/17/62/564471762.db2.gz YJUWUAXVXYNRJE-CHWSQXEVSA-N 1 0 392.359 2.934 20 0 GFADRO COc1ccc(C[NH2+]C[C@@H]2CCCN2c2cccnn2)c(Br)c1O ZINC000546882625 564472607 /nfs/dbraw/zinc/47/26/07/564472607.db2.gz KABUEWFGKSUGNB-ZDUSSCGKSA-N 1 0 393.285 2.712 20 0 GFADRO COc1ccc([C@@H]([NH2+]CCS(=O)(=O)N(C)C)C(C)C)c(Br)c1 ZINC000569747488 564476872 /nfs/dbraw/zinc/47/68/72/564476872.db2.gz RAFZGYAXISKRPG-HNNXBMFYSA-N 1 0 393.347 2.636 20 0 GFADRO CC(=O)N1CCN(CC[NH2+][C@H]2C[C@H](C)c3c2cccc3Br)CC1 ZINC000480601879 564479065 /nfs/dbraw/zinc/47/90/65/564479065.db2.gz RETGYOFRDLCIIB-GUYCJALGSA-N 1 0 380.330 2.751 20 0 GFADRO C[NH2+][C@@H](CC(C)(C)C)C(=O)NC[C@H](O)COc1cccc(Cl)c1Cl ZINC000569840763 564480150 /nfs/dbraw/zinc/48/01/50/564480150.db2.gz HDRSWSKLRKTNRZ-AAEUAGOBSA-N 1 0 377.312 2.874 20 0 GFADRO O=S1(=O)CC[C@H]([NH2+]CC2(CO)CCCC2)c2cc(Br)ccc21 ZINC000480695142 564482443 /nfs/dbraw/zinc/48/24/43/564482443.db2.gz PDBSXLTUKTYZHF-AWEZNQCLSA-N 1 0 388.327 2.810 20 0 GFADRO [NH3+]Cc1cn([C@@H]2CCCN(c3ccc4cc(Br)ccc4n3)C2)nn1 ZINC000569912822 564484246 /nfs/dbraw/zinc/48/42/46/564484246.db2.gz IDRIRQGVOUDZHH-OAHLLOKOSA-N 1 0 387.285 2.889 20 0 GFADRO Cc1cc(F)c(Br)cc1S(=O)(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000480741440 564486065 /nfs/dbraw/zinc/48/60/65/564486065.db2.gz ZWOBUBNMHZZHOF-GHMZBOCLSA-N 1 0 391.306 2.800 20 0 GFADRO CC(C)(CNS(=O)(=O)c1ccc(Br)cc1F)C[NH+]1CCCC1 ZINC000480753888 564486578 /nfs/dbraw/zinc/48/65/78/564486578.db2.gz CEPKUMSKZOMFIV-UHFFFAOYSA-N 1 0 393.322 2.989 20 0 GFADRO Cn1cc2c(n1)CCC[C@H]2[NH2+]C[C@@H](O)COc1cccc(Br)c1 ZINC000570038581 564488638 /nfs/dbraw/zinc/48/86/38/564488638.db2.gz CAVQTSZPSPSXFL-CZUORRHYSA-N 1 0 380.286 2.590 20 0 GFADRO CC1(C)C[C@H]([NH2+][C@@H]2CCN(S(C)(=O)=O)C2)c2cc(Br)ccc21 ZINC000570050686 564489512 /nfs/dbraw/zinc/48/95/12/564489512.db2.gz KYUGWLMIZPUEIB-DOMZBBRYSA-N 1 0 387.343 2.795 20 0 GFADRO C[N@H+](C[C@@H](O)CN1C(=O)CC(c2c(Cl)cccc2Cl)CC1=O)C1CC1 ZINC000515931628 564490240 /nfs/dbraw/zinc/49/02/40/564490240.db2.gz OAJSAFUALCMZNQ-CYBMUJFWSA-N 1 0 385.291 2.681 20 0 GFADRO Cc1nc(-c2ccccc2I)n(CC[C@H]2CC[NH2+]C2)n1 ZINC000570079869 564490721 /nfs/dbraw/zinc/49/07/21/564490721.db2.gz UYFRZCNJIZMJLP-GFCCVEGCSA-N 1 0 382.249 2.858 20 0 GFADRO CCS[C@@H]1CCCC[N@H+](CC(=O)N2CCN(Cc3cccs3)CC2)C1 ZINC000480887032 564494083 /nfs/dbraw/zinc/49/40/83/564494083.db2.gz WNDGAWUCEGBWHQ-QGZVFWFLSA-N 1 0 381.611 3.000 20 0 GFADRO O=C1[C@@H]2CSCCN2C(=O)N1C[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000516136696 564494339 /nfs/dbraw/zinc/49/43/39/564494339.db2.gz ZRAKGPFFBZJSAF-HOTGVXAUSA-N 1 0 379.913 2.857 20 0 GFADRO O=C(NCCc1cc(Br)ccc1F)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000516167046 564494920 /nfs/dbraw/zinc/49/49/20/564494920.db2.gz VAPSIIPLLSQIEX-KRWDZBQOSA-N 1 0 384.293 2.916 20 0 GFADRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)N(C)Cc1ccc(Cl)s1 ZINC000480919756 564495733 /nfs/dbraw/zinc/49/57/33/564495733.db2.gz ZABNAFSBFLIALK-MGPQQGTHSA-N 1 0 385.961 2.843 20 0 GFADRO O[C@H](COC[C@@H]1CCCO1)C[N@@H+]1CC[C@H](Cc2ccc(Br)cc2)C1 ZINC000570235709 564496833 /nfs/dbraw/zinc/49/68/33/564496833.db2.gz WSOZQBFDJFZVHA-NEWSRXKRSA-N 1 0 398.341 2.870 20 0 GFADRO COCCC[N@H+](C)CCNC(=O)C(=O)Nc1cc(Cl)c(Cl)c(Cl)c1 ZINC000570284951 564499701 /nfs/dbraw/zinc/49/97/01/564499701.db2.gz PAHLUNFORLLKFU-UHFFFAOYSA-N 1 0 396.702 2.670 20 0 GFADRO COc1ccc(Br)c(S(=O)(=O)Nc2cc[nH+]c(N(C)C)c2)c1 ZINC000481043771 564501285 /nfs/dbraw/zinc/50/12/85/564501285.db2.gz XKMARZZQJFBGNE-UHFFFAOYSA-N 1 0 386.271 2.720 20 0 GFADRO Cn1cc(Br)c(CNC(=O)NCCC[N@H+](C)Cc2ccccc2)n1 ZINC000454201637 564502184 /nfs/dbraw/zinc/50/21/84/564502184.db2.gz AXGNKBXKWMFROA-UHFFFAOYSA-N 1 0 394.317 2.504 20 0 GFADRO Cc1cc(Br)cn2cc(CNC(=O)NCC[C@@H]3CCC[NH2+]C3)nc12 ZINC000570428551 564505497 /nfs/dbraw/zinc/50/54/97/564505497.db2.gz AQHYPYOXAINUJG-ZDUSSCGKSA-N 1 0 394.317 2.594 20 0 GFADRO CC(C)(CNC(=O)c1ccc(I)cn1)[NH+]1CCCCC1 ZINC000454309289 564505704 /nfs/dbraw/zinc/50/57/04/564505704.db2.gz UWAIUVNSTWNWAY-UHFFFAOYSA-N 1 0 387.265 2.681 20 0 GFADRO C[C@H]1CC[NH2+]C[C@H]1NS(=O)(=O)Cc1cc(Cl)ccc1Br ZINC000516569833 564506071 /nfs/dbraw/zinc/50/60/71/564506071.db2.gz JTIQQNZRBLZQGL-TVQRCGJNSA-N 1 0 381.723 2.520 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)CCOc2ccc(Cl)c(Cl)c2)CC12CCOCC2 ZINC000570452299 564506196 /nfs/dbraw/zinc/50/61/96/564506196.db2.gz NNCUXHVINNFRLC-ZDUSSCGKSA-N 1 0 387.307 2.976 20 0 GFADRO Cc1nc(CNC(=O)NCC[NH+]2CCC(C)CC2)sc1Br ZINC000454330937 564506739 /nfs/dbraw/zinc/50/67/39/564506739.db2.gz XIQUZWINRCQQJP-UHFFFAOYSA-N 1 0 375.336 2.745 20 0 GFADRO N[C@H](C(=O)NC[C@@H]1CCCCN1Cc1cccc(Cl)c1)c1cscn1 ZINC000516647992 564508240 /nfs/dbraw/zinc/50/82/40/564508240.db2.gz HBYPZRLHDNHKBQ-RDJZCZTQSA-N 1 0 378.929 2.967 20 0 GFADRO C[C@H](C[C@H](C)[NH3+])NC(=O)N1CCN(C(=O)c2cccc(Cl)c2Cl)CC1 ZINC000570512487 564510071 /nfs/dbraw/zinc/51/00/71/564510071.db2.gz JWTGAXOZIJCBRT-NWDGAFQWSA-N 1 0 387.311 2.587 20 0 GFADRO C[N@@H+]1CCC[C@H]2CN(C(=O)CNC(=O)c3ccc(Cl)cc3Cl)CC[C@H]21 ZINC000547778446 564510420 /nfs/dbraw/zinc/51/04/20/564510420.db2.gz ZODOCGDXEXOFEV-BLLLJJGKSA-N 1 0 384.307 2.666 20 0 GFADRO Cn1cc(Cl)c(CNC(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)n1 ZINC000516850024 564513400 /nfs/dbraw/zinc/51/34/00/564513400.db2.gz RZYPKZLCCPTESU-ZDUSSCGKSA-N 1 0 381.933 2.846 20 0 GFADRO COCCC[N@H+](C)CCNC(=O)NC/C=C\c1ccc(Br)cc1 ZINC000454559756 564514489 /nfs/dbraw/zinc/51/44/89/564514489.db2.gz NHSRKVLQHPQZAC-HYXAFXHYSA-N 1 0 384.318 2.730 20 0 GFADRO C[C@H](CNC(=O)C(=O)Nc1ccc(C(F)(F)F)cc1Cl)[NH+]1CCCC1 ZINC000516894269 564514938 /nfs/dbraw/zinc/51/49/38/564514938.db2.gz WQXZOTLTGRZPFW-SNVBAGLBSA-N 1 0 377.794 2.898 20 0 GFADRO C[NH+](C)[C@@]1(CNC(=O)NCCOc2ccc(F)c(Cl)c2)CCSC1 ZINC000454600787 564516102 /nfs/dbraw/zinc/51/61/02/564516102.db2.gz JOXIMUTUQHSUJQ-MRXNPFEDSA-N 1 0 375.897 2.594 20 0 GFADRO C[C@H]([NH3+])C1CCN(C(=O)c2ccc(-n3cc(Br)cn3)cc2)CC1 ZINC000570681093 564517279 /nfs/dbraw/zinc/51/72/79/564517279.db2.gz ADKYVJSQGZLZIM-LBPRGKRZSA-N 1 0 377.286 2.834 20 0 GFADRO O=C(C[NH2+]C[C@H]1CCCO1)N[C@H]1C[C@H](c2ccc(F)c(Br)c2)C1 ZINC000516969340 564518936 /nfs/dbraw/zinc/51/89/36/564518936.db2.gz ZLMMSGVZSXPHRI-MGPQQGTHSA-N 1 0 385.277 2.719 20 0 GFADRO C[C@@H]([NH2+]C1CC1)C(=O)N1CCC(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000516967731 564519019 /nfs/dbraw/zinc/51/90/19/564519019.db2.gz XTLXGOIORKUPPG-GFCCVEGCSA-N 1 0 394.313 2.767 20 0 GFADRO CCC[N@H+](CC)C[C@H](C)NC(=O)C(=O)Nc1cc(F)ccc1Br ZINC000570735681 564519236 /nfs/dbraw/zinc/51/92/36/564519236.db2.gz VRIPBWOHAOJNJH-NSHDSACASA-N 1 0 388.281 2.763 20 0 GFADRO CCOC(=O)C[C@@H]1C[C@@H](OC)C[N@@H+]1CCOc1cccc(Br)c1 ZINC000481758772 564522307 /nfs/dbraw/zinc/52/23/07/564522307.db2.gz DQBNMGGJMRZCAJ-GOEBONIOSA-N 1 0 386.286 2.870 20 0 GFADRO O=C(C1CCC([NH2+][C@@H]2CCO[C@H](C(F)(F)F)C2)CC1)N1CCSCC1 ZINC000517036318 564522352 /nfs/dbraw/zinc/52/23/52/564522352.db2.gz CIAIIYLWLJITDK-CVSAEHQPSA-N 1 0 380.476 2.820 20 0 GFADRO COCC[NH2+]C1CCN(Cc2cc(Br)c3c(c2)OCCCO3)CC1 ZINC000517032807 564522557 /nfs/dbraw/zinc/52/25/57/564522557.db2.gz CCTNCRFCRIEICO-UHFFFAOYSA-N 1 0 399.329 2.811 20 0 GFADRO O=C(NCC[N@@H+]1CCCOCC1)N1CC[C@@H](c2cccc(Br)c2)C1 ZINC000455001453 564531544 /nfs/dbraw/zinc/53/15/44/564531544.db2.gz LWTAFJNOMRBHSX-MRXNPFEDSA-N 1 0 396.329 2.670 20 0 GFADRO CCn1ccc(C(=O)N(CC[NH+](C)C)Cc2ccc(Br)cc2)n1 ZINC000571047691 564533294 /nfs/dbraw/zinc/53/32/94/564533294.db2.gz HJAFMQBEHLYJJO-UHFFFAOYSA-N 1 0 379.302 2.870 20 0 GFADRO C[C@H]1CCC[C@H](C)[NH+]1CCNS(=O)(=O)c1cc2c(cc1Cl)OCCO2 ZINC000517414992 564533702 /nfs/dbraw/zinc/53/37/02/564533702.db2.gz NBFFTQZKSCRNPM-STQMWFEESA-N 1 0 388.917 2.652 20 0 GFADRO Cc1nn(C)cc1[C@@H](C)[NH2+]CCCNC(=O)c1ccc(Br)cc1 ZINC000482089634 564534259 /nfs/dbraw/zinc/53/42/59/564534259.db2.gz QVHWZNUDMVJPKH-GFCCVEGCSA-N 1 0 379.302 2.962 20 0 GFADRO CSCC[C@H](C)N(C)C(=O)C(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000571084553 564535572 /nfs/dbraw/zinc/53/55/72/564535572.db2.gz VYZMKHWHVRMLGX-BBRMVZONSA-N 1 0 385.961 2.659 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(C(=O)NCCc3ccc(Br)cc3Cl)C[C@@H]21 ZINC000455078323 564536069 /nfs/dbraw/zinc/53/60/69/564536069.db2.gz FEZUHACUNSXIQO-DOMZBBRYSA-N 1 0 386.721 2.991 20 0 GFADRO Ic1cccc2ncnc(N3CC[C@@H]([NH+]4CCCC4)C3)c12 ZINC000571242648 564542143 /nfs/dbraw/zinc/54/21/43/564542143.db2.gz APTZTFSPHVTLPT-GFCCVEGCSA-N 1 0 394.260 2.909 20 0 GFADRO Cc1nc(CNC(=O)N2C[C@@H]3CCCC[N@H+]3C[C@H]2C)sc1Br ZINC000455201502 564542383 /nfs/dbraw/zinc/54/23/83/564542383.db2.gz ANMJLHXUDUHALI-PWSUYJOCSA-N 1 0 387.347 2.982 20 0 GFADRO O=C(NCc1nc2c(cccc2Br)[nH]1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000517901722 564542833 /nfs/dbraw/zinc/54/28/33/564542833.db2.gz FKXABLZCAVTJMO-QGZVFWFLSA-N 1 0 392.301 2.611 20 0 GFADRO CCC[NH+]1CCC(CNC(=O)c2ccc(I)cn2)CC1 ZINC000455220295 564543176 /nfs/dbraw/zinc/54/31/76/564543176.db2.gz DDVYVDPECZXACH-UHFFFAOYSA-N 1 0 387.265 2.538 20 0 GFADRO O=C(NC[C@@H]1CCN(c2cccc(Br)c2)C1)NC[C@H]1CCC[NH2+]C1 ZINC000517899519 564543184 /nfs/dbraw/zinc/54/31/84/564543184.db2.gz UKYZGDNSYICHDE-GJZGRUSLSA-N 1 0 395.345 2.574 20 0 GFADRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cnn(-c3ccc(Br)cc3)c2)[C@H]1OC ZINC000482506392 564543848 /nfs/dbraw/zinc/54/38/48/564543848.db2.gz HXRNWPDJXSOMFP-BRWVUGGUSA-N 1 0 380.286 2.917 20 0 GFADRO CC[N@@H+]1C[C@H](C)N(C(=O)NCc2nc(C)c(Br)s2)C[C@H]1C ZINC000455227629 564544203 /nfs/dbraw/zinc/54/42/03/564544203.db2.gz IMDMXQDMPULGIK-ZJUUUORDSA-N 1 0 375.336 2.838 20 0 GFADRO CN1CC[NH+](CCCCNC(=O)CCc2cccc(Br)c2)CC1 ZINC000518021501 564545141 /nfs/dbraw/zinc/54/51/41/564545141.db2.gz UXXZEQUICHZKSR-UHFFFAOYSA-N 1 0 382.346 2.526 20 0 GFADRO CC[C@H](CNC(=O)Cn1cc(Br)cn1)[N@@H+]1CCc2ccccc2C1 ZINC000518025193 564545188 /nfs/dbraw/zinc/54/51/88/564545188.db2.gz LNKJURHSKPCDBL-QGZVFWFLSA-N 1 0 391.313 2.599 20 0 GFADRO O=C(NCC[NH2+]CC1=Cc2cc(Cl)cc(Cl)c2OC1)c1cnccn1 ZINC000518278971 564549416 /nfs/dbraw/zinc/54/94/16/564549416.db2.gz OMLFARWGDWCPKM-UHFFFAOYSA-N 1 0 379.247 2.579 20 0 GFADRO COC(=O)c1ccc(C[NH2+]CCc2cccnc2OC)c(Br)c1 ZINC000518266631 564549551 /nfs/dbraw/zinc/54/95/51/564549551.db2.gz CEGVBLYNFAEILC-UHFFFAOYSA-N 1 0 379.254 2.972 20 0 GFADRO CC(C)(CC(N)=O)[NH2+]CCOc1c(Br)cccc1Br ZINC000482840262 564551689 /nfs/dbraw/zinc/55/16/89/564551689.db2.gz JBKRRTOQRIHNMM-UHFFFAOYSA-N 1 0 394.107 2.834 20 0 GFADRO CC[C@@H]([NH2+]CCS(=O)(=O)c1cccc(Br)c1)[C@H](O)C(C)C ZINC000571445290 564552015 /nfs/dbraw/zinc/55/20/15/564552015.db2.gz JYHDRJWPYZJEJU-HUUCEWRRSA-N 1 0 378.332 2.608 20 0 GFADRO O=C(c1cc2sccc2s1)N1CCN(C(=O)[C@H]2CCCCC[NH2+]2)CC1 ZINC000518377071 564552465 /nfs/dbraw/zinc/55/24/65/564552465.db2.gz QKXFJTRQWFZRFW-CYBMUJFWSA-N 1 0 377.535 2.779 20 0 GFADRO COC(C)(C)C[N@H+](C)CC(=O)Nc1ccc(I)cc1C ZINC000571465257 564552892 /nfs/dbraw/zinc/55/28/92/564552892.db2.gz IYMLCHPCHHUYCK-UHFFFAOYSA-N 1 0 390.265 2.895 20 0 GFADRO CC[N@H+]1C[C@@H](C)N(C(=O)c2ccc(F)c(I)c2)[C@@H](C)C1 ZINC000518433208 564553343 /nfs/dbraw/zinc/55/33/43/564553343.db2.gz LXIRLWCYNUGZQU-PHIMTYICSA-N 1 0 390.240 2.985 20 0 GFADRO O=S1(=O)CC[C@H]([NH2+][C@H]2CC[C@H](CO)CC2)c2cc(Br)ccc21 ZINC000548481174 564553394 /nfs/dbraw/zinc/55/33/94/564553394.db2.gz AEGSPCHVRJHVEJ-WHOFXGATSA-N 1 0 388.327 2.808 20 0 GFADRO C[C@@H]1CCN(CC[NH2+][C@H]2CCS(=O)(=O)c3ccc(Br)cc32)C1 ZINC000548483233 564553815 /nfs/dbraw/zinc/55/38/15/564553815.db2.gz IJFBWPSZUBHNKN-DOMZBBRYSA-N 1 0 387.343 2.599 20 0 GFADRO O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)N[C@@H]1CCc2sc(Cl)cc21 ZINC000571538657 564556009 /nfs/dbraw/zinc/55/60/09/564556009.db2.gz GUXBKPQVBOJSBK-ZYHUDNBSSA-N 1 0 396.866 2.524 20 0 GFADRO CC[NH+]1CCC(NC(=O)Nc2ccn(-c3ccc(Br)cc3)n2)CC1 ZINC000455624562 564560563 /nfs/dbraw/zinc/56/05/63/564560563.db2.gz NDDCPVQPMOXWEO-UHFFFAOYSA-N 1 0 392.301 3.241 20 0 GFADRO Cc1cccc(CNC(=O)Nc2ccnn2CC[NH+](C)C)c1Br ZINC000455643406 564562296 /nfs/dbraw/zinc/56/22/96/564562296.db2.gz AZCDXENSDMLLAH-UHFFFAOYSA-N 1 0 380.290 2.837 20 0 GFADRO CSCC[C@H](CO)NC(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000483341960 564564306 /nfs/dbraw/zinc/56/43/06/564564306.db2.gz YEVFWQFSMXQTMO-QGZVFWFLSA-N 1 0 383.583 2.513 20 0 GFADRO CCc1c(C(=O)NCC2CC[NH2+]CC2)cnn1-c1ccc(Br)cc1 ZINC000571789843 564566110 /nfs/dbraw/zinc/56/61/10/564566110.db2.gz UJTMSLMXSSZJFC-UHFFFAOYSA-N 1 0 391.313 2.927 20 0 GFADRO COc1ccc(Br)c(CNC(=O)[C@@H]2[NH2+]CCc3ccccc32)c1 ZINC000518980764 564566182 /nfs/dbraw/zinc/56/61/82/564566182.db2.gz IQQPNVIQPYTYLV-QGZVFWFLSA-N 1 0 375.266 2.961 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)NC[C@H](C)[NH+]2CCCC2)cc1Br ZINC000548602246 564566736 /nfs/dbraw/zinc/56/67/36/564566736.db2.gz TUCOTEHNFFXHHH-ZDUSSCGKSA-N 1 0 382.302 2.605 20 0 GFADRO CC(C)[N@H+](C)C[C@@H](O)CN1C(=O)C[C@](C)(c2ccc(Cl)c(Cl)c2)C1=O ZINC000571776700 564566678 /nfs/dbraw/zinc/56/66/78/564566678.db2.gz JQTLACMQZCDEGJ-FZKQIMNGSA-N 1 0 387.307 2.711 20 0 GFADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+]CCOC(C)(C)C ZINC000519076413 564569538 /nfs/dbraw/zinc/56/95/38/564569538.db2.gz YVOBIQGJYOPBCI-GFCCVEGCSA-N 1 0 387.318 2.867 20 0 GFADRO Cc1ncc(Br)cc1NC(=O)N(C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000455791050 564570375 /nfs/dbraw/zinc/57/03/75/564570375.db2.gz AZHDGAAXYDVMMR-GFCCVEGCSA-N 1 0 399.333 2.709 20 0 GFADRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)c1ccc(I)cn1 ZINC000455798411 564571265 /nfs/dbraw/zinc/57/12/65/564571265.db2.gz SAFOTPANSOUEGJ-ZDUSSCGKSA-N 1 0 387.265 2.633 20 0 GFADRO Cc1ncc(Br)cc1NC(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000455801026 564571333 /nfs/dbraw/zinc/57/13/33/564571333.db2.gz MKSJWQZSCVCQIZ-GFCCVEGCSA-N 1 0 385.306 2.775 20 0 GFADRO COc1c(Br)cc(C[N@H+](C)CCOCCO)cc1Br ZINC000548807172 564575665 /nfs/dbraw/zinc/57/56/65/564575665.db2.gz FDPRDRYYIYZPQM-UHFFFAOYSA-N 1 0 397.107 2.661 20 0 GFADRO O=C(NCCC[C@H]1CCC[NH2+]1)c1ccc(F)cc1I ZINC000571993597 564576122 /nfs/dbraw/zinc/57/61/22/564576122.db2.gz MEIZHHYXFJCTOF-LLVKDONJSA-N 1 0 376.213 2.692 20 0 GFADRO COC(=O)c1cc(Br)c(F)cc1NC(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000519400876 564577024 /nfs/dbraw/zinc/57/70/24/564577024.db2.gz UGWSTGVJCVHHQT-YUMQZZPRSA-N 1 0 376.226 2.622 20 0 GFADRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1S(=O)(=O)c1ccc(OC(F)(F)F)cc1 ZINC000572027033 564577979 /nfs/dbraw/zinc/57/79/79/564577979.db2.gz ONGSZUVFGVBTDN-DOMZBBRYSA-N 1 0 378.416 2.833 20 0 GFADRO CCC[N@H+](CC)C[C@H](C)NS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000519483063 564578872 /nfs/dbraw/zinc/57/88/72/564578872.db2.gz LQUSSRFKISYIIV-LBPRGKRZSA-N 1 0 377.432 2.976 20 0 GFADRO COc1cc(Br)c(S(=O)(=O)N[C@@H](C)C[C@@H](C)[NH3+])cc1Cl ZINC000572037708 564578859 /nfs/dbraw/zinc/57/88/59/564578859.db2.gz CHIAXPLBVIXWNV-SFYZADRCSA-N 1 0 385.711 2.515 20 0 GFADRO CCC(CC)(CCO)[NH2+]C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000548938885 564580802 /nfs/dbraw/zinc/58/08/02/564580802.db2.gz MZJQQXFPHXSHOG-AWEZNQCLSA-N 1 0 378.282 2.859 20 0 GFADRO COc1ccc(Br)cc1C[C@@H](CO)C[NH2+]Cc1nc(C)c(C)[nH]1 ZINC000572135708 564582780 /nfs/dbraw/zinc/58/27/80/564582780.db2.gz JIYSEHDBUYKWJI-CYBMUJFWSA-N 1 0 382.302 2.738 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)c2cc(I)ccc2Cl)C1 ZINC000484115665 564582860 /nfs/dbraw/zinc/58/28/60/564582860.db2.gz YJOCERRQSVKSJV-BDAKNGLRSA-N 1 0 378.641 2.754 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCN(C(=O)c2nn(-c3ccc(F)cc3)cc2Br)C1 ZINC000484197677 564583360 /nfs/dbraw/zinc/58/33/60/564583360.db2.gz DLPDMTAPCVGGGU-QWRGUYRKSA-N 1 0 381.249 2.583 20 0 GFADRO Cc1nc2cc(Cl)c(NC(=O)C(=O)NCC3=CC[N@H+](C)CC3)cc2s1 ZINC000484208499 564583503 /nfs/dbraw/zinc/58/35/03/564583503.db2.gz HOVXWRKAIYXTJN-UHFFFAOYSA-N 1 0 378.885 2.575 20 0 GFADRO CC(C)(CNC(=O)c1ccc(I)cn1)C[NH+]1CCCC1 ZINC000456018910 564584119 /nfs/dbraw/zinc/58/41/19/564584119.db2.gz GELFPRZMEKAYNX-UHFFFAOYSA-N 1 0 387.265 2.538 20 0 GFADRO CC[N@@H+]1CCCN(C(=O)C(=O)Nc2cc3sc(C)nc3cc2Cl)CC1 ZINC000484275460 564585662 /nfs/dbraw/zinc/58/56/62/564585662.db2.gz LFYISIYONDXSDT-UHFFFAOYSA-N 1 0 380.901 2.751 20 0 GFADRO NC(=O)c1ccc(C[NH2+][C@H]2CCCOc3ccc(Br)cc32)cn1 ZINC000484299238 564585973 /nfs/dbraw/zinc/58/59/73/564585973.db2.gz FAVQWVOXOFBHIY-AWEZNQCLSA-N 1 0 376.254 2.947 20 0 GFADRO OCC[C@H](C[NH2+]C[C@@H](O)COc1ccc(Br)cc1)c1ccccc1 ZINC000572243062 564586353 /nfs/dbraw/zinc/58/63/53/564586353.db2.gz KAWLEELTHUHTAB-SJLPKXTDSA-N 1 0 394.309 2.945 20 0 GFADRO O=C(NCC[NH2+]C[C@@H](O)Cc1ccc(F)cc1)c1ccc(Br)cc1 ZINC000572274800 564587676 /nfs/dbraw/zinc/58/76/76/564587676.db2.gz OEFIQSFWTKIPGO-KRWDZBQOSA-N 1 0 395.272 2.511 20 0 GFADRO [NH3+]CC12CCC(CC1)CN2S(=O)(=O)c1cc(Cl)ccc1OC(F)F ZINC000519699299 564587733 /nfs/dbraw/zinc/58/77/33/564587733.db2.gz CSYWMFFDXBNJHE-UHFFFAOYSA-N 1 0 380.844 2.833 20 0 GFADRO CC[NH+](CC)CCS(=O)(=O)N[C@H](C)c1ccc(OC)c(Br)c1 ZINC000572290812 564588866 /nfs/dbraw/zinc/58/88/66/564588866.db2.gz MDYCBGJMNDLBJU-GFCCVEGCSA-N 1 0 393.347 2.780 20 0 GFADRO O[C@H](C[NH2+]CC1=CCCOC1)COc1ccc(Cl)cc1Br ZINC000519761454 564589560 /nfs/dbraw/zinc/58/95/60/564589560.db2.gz BTPFUNFDVZGQCG-CYBMUJFWSA-N 1 0 376.678 2.779 20 0 GFADRO CCS(=O)(=O)N1CC(C[NH2+]C/C(C)=C\c2cccc(C(F)(F)F)c2)C1 ZINC000572318825 564589904 /nfs/dbraw/zinc/58/99/04/564589904.db2.gz ZCYDMMQIHVCBHY-QPEQYQDCSA-N 1 0 376.444 2.980 20 0 GFADRO COCc1nc(CNC(=O)c2ccc(C[NH+]3CCSCC3)cc2)cs1 ZINC000519847246 564592882 /nfs/dbraw/zinc/59/28/82/564592882.db2.gz ILZFHKRCOPTCAA-UHFFFAOYSA-N 1 0 377.535 2.768 20 0 GFADRO C[N@H+](CCOc1ccc(Cl)cc1Br)C1(CO)CCOCC1 ZINC000484677729 564594605 /nfs/dbraw/zinc/59/46/05/564594605.db2.gz JHWILRLBPXHKPE-UHFFFAOYSA-N 1 0 378.694 2.955 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)C(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000484825826 564599749 /nfs/dbraw/zinc/59/97/49/564599749.db2.gz ZBZWHMWQYXUSPH-UHFFFAOYSA-N 1 0 396.329 2.934 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000572599820 564601258 /nfs/dbraw/zinc/60/12/58/564601258.db2.gz ORAIIOFHLHRANK-ZDUSSCGKSA-N 1 0 378.274 2.607 20 0 GFADRO O=C(c1cn(-c2ccc(Br)cc2)cn1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000520395888 564603802 /nfs/dbraw/zinc/60/38/02/564603802.db2.gz VATHLVRCVYNWCR-OAHLLOKOSA-N 1 0 375.270 2.601 20 0 GFADRO Cc1nc(NC(=O)N2CC[N@@H+](CC(C)(C)O)C[C@H]2C)sc1C(F)(F)F ZINC000572664710 564604290 /nfs/dbraw/zinc/60/42/90/564604290.db2.gz QIPDHSQNZXBEFW-SECBINFHSA-N 1 0 380.436 2.779 20 0 GFADRO CC(C)[C@H](CO)C(=O)Nc1cc(Br)ccc1N1CC[N@H+](C)C[C@@H]1C ZINC000456381245 564604709 /nfs/dbraw/zinc/60/47/09/564604709.db2.gz WUHBTDZFWNMOHT-ZFWWWQNUSA-N 1 0 398.345 2.792 20 0 GFADRO C[N@@H+](Cc1ccc(F)cc1Br)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000485023027 564605112 /nfs/dbraw/zinc/60/51/12/564605112.db2.gz IGOFHDZWSUOVPK-LBPRGKRZSA-N 1 0 393.322 2.692 20 0 GFADRO CC[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)NCC[NH+](CC)CC ZINC000549944484 564610636 /nfs/dbraw/zinc/61/06/36/564610636.db2.gz GLYYSLUZEATCKL-OAHLLOKOSA-N 1 0 388.339 2.889 20 0 GFADRO C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)NCc2cccs2)[C@H]1c1cccs1 ZINC000549943356 564610883 /nfs/dbraw/zinc/61/08/83/564610883.db2.gz WQPHBMDZODUYCN-BBRMVZONSA-N 1 0 377.535 2.625 20 0 GFADRO COc1cc(OC)c(S(=O)(=O)N2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1Cl ZINC000572826825 564612171 /nfs/dbraw/zinc/61/21/71/564612171.db2.gz DGKLOQRAQYSZLT-UONOGXRCSA-N 1 0 388.917 2.652 20 0 GFADRO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)C(=O)Nc1ccc(Br)cc1 ZINC000520789040 564612927 /nfs/dbraw/zinc/61/29/27/564612927.db2.gz MHQPACRAOLCNMO-STQMWFEESA-N 1 0 382.302 2.767 20 0 GFADRO CC[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCN(C(=O)c2c(Cl)cccc2Cl)CC1 ZINC000572837763 564612909 /nfs/dbraw/zinc/61/29/09/564612909.db2.gz BYDFHUNPUMFHHP-DOMZBBRYSA-N 1 0 384.307 2.666 20 0 GFADRO CCS[C@H]1CCCCN(C(=O)C(=O)NC[C@H](c2cccs2)[NH+](C)C)C1 ZINC000549999918 564613014 /nfs/dbraw/zinc/61/30/14/564613014.db2.gz CFJLRHPIHBUPQJ-LSDHHAIUSA-N 1 0 383.583 2.601 20 0 GFADRO Cc1ccsc1CNC(=O)C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000550025191 564613686 /nfs/dbraw/zinc/61/36/86/564613686.db2.gz JIRRNXREBSYSJJ-CQSZACIVSA-N 1 0 377.535 2.688 20 0 GFADRO C[C@@H](NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1)c1cc(F)c(Cl)cc1Cl ZINC000550031344 564613827 /nfs/dbraw/zinc/61/38/27/564613827.db2.gz SOBIQZQECDTHKM-ZJUUUORDSA-N 1 0 388.270 2.663 20 0 GFADRO CC(C)COC[C@@H](O)C[NH2+][C@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000520799012 564614112 /nfs/dbraw/zinc/61/41/12/564614112.db2.gz DFSPEOLNODEQEP-ZFWWWQNUSA-N 1 0 375.296 2.722 20 0 GFADRO CC[NH+](CC)CC[C@H](CO)NC(=O)c1ccc(Br)c(C)c1F ZINC000572898764 564614406 /nfs/dbraw/zinc/61/44/06/564614406.db2.gz JNIKWHWEDDZXDU-GFCCVEGCSA-N 1 0 375.282 2.719 20 0 GFADRO COCC[C@]1([NH2+]CC(=O)N(C)Cc2ccc(Cl)c(Cl)c2)CCOC1 ZINC000520960437 564616232 /nfs/dbraw/zinc/61/62/32/564616232.db2.gz WKXDUWCJTAUNQA-KRWDZBQOSA-N 1 0 375.296 2.737 20 0 GFADRO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)[C@@H]1CC(=O)Nc2ccc(Br)cc21 ZINC000485506289 564617942 /nfs/dbraw/zinc/61/79/42/564617942.db2.gz OOHVDYAJAVBVAZ-GDBMZVCRSA-N 1 0 394.313 2.674 20 0 GFADRO O=C(C[N@H+]1CCCC[C@@H]1[C@H]1CCC[C@@H]1O)Nc1ccc(Br)cn1 ZINC000573060093 564620674 /nfs/dbraw/zinc/62/06/74/564620674.db2.gz NLKSEJAYYMXSPO-KFWWJZLASA-N 1 0 382.302 2.798 20 0 GFADRO CCO[C@@H]1C[C@H]([NH2+]Cc2cc(OC)c(O)cc2Br)[C@H]1n1cccn1 ZINC000550327265 564620811 /nfs/dbraw/zinc/62/08/11/564620811.db2.gz TYJLVXAHTRTRBL-IAOVAPTHSA-N 1 0 396.285 2.868 20 0 GFADRO C[C@H](CNC(=O)N1CC[C@@]2(CC[NH2+]C2)C1)Oc1ccccc1Br ZINC000521216782 564622012 /nfs/dbraw/zinc/62/20/12/564622012.db2.gz HUQYNBZDQGXYNL-CXAGYDPISA-N 1 0 382.302 2.611 20 0 GFADRO COCCO[C@H]1COCC[C@H]1[NH2+]Cc1ccc(Br)c2cccnc12 ZINC000485690686 564623005 /nfs/dbraw/zinc/62/30/05/564623005.db2.gz WKALYIFMUQSDOL-SJORKVTESA-N 1 0 395.297 2.907 20 0 GFADRO [NH3+][C@@H]1CCC[C@H](CNC(=O)c2ccc(-n3cc(Br)cn3)cc2)C1 ZINC000521425812 564626633 /nfs/dbraw/zinc/62/66/33/564626633.db2.gz YHAPOMDHJYNOKN-SWLSCSKDSA-N 1 0 377.286 2.882 20 0 GFADRO CN(C)[C@@H](C[NH2+][C@@H]1CCCc2cc(S(N)(=O)=O)ccc21)c1cccs1 ZINC000550606496 564627735 /nfs/dbraw/zinc/62/77/35/564627735.db2.gz VYTSFFSTBIXRGU-SJORKVTESA-N 1 0 379.551 2.665 20 0 GFADRO O=S(=O)(CCOCC(F)(F)F)NC[C@@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000573368262 564634628 /nfs/dbraw/zinc/63/46/28/564634628.db2.gz ZQGAARBHESNCHD-HNNXBMFYSA-N 1 0 386.480 2.529 20 0 GFADRO O=S(=O)(Cc1ccc(Cl)cc1Br)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000486003329 564635140 /nfs/dbraw/zinc/63/51/40/564635140.db2.gz RRCHBLKGQIZJQP-LBPRGKRZSA-N 1 0 393.734 2.759 20 0 GFADRO O=S(=O)(Cc1cc(Cl)ccc1Br)NCC[C@@H]1CCC[NH2+]C1 ZINC000521873806 564637769 /nfs/dbraw/zinc/63/77/69/564637769.db2.gz OVHGDJAUBYGYGX-NSHDSACASA-N 1 0 395.750 2.912 20 0 GFADRO CC[NH+]1CCN(CC(C)(C)NC(=O)c2ccc(Br)c(F)c2)CC1 ZINC000456895765 564637931 /nfs/dbraw/zinc/63/79/31/564637931.db2.gz IXBAGNSAYUPZGM-UHFFFAOYSA-N 1 0 386.309 2.734 20 0 GFADRO COc1ccc(Cl)cc1S(=O)(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000486088259 564638991 /nfs/dbraw/zinc/63/89/91/564638991.db2.gz ONRDOXWCOLGYTO-BBRMVZONSA-N 1 0 384.929 2.986 20 0 GFADRO C(CC[NH+]1CCO[C@]2(CCSC2)C1)CC[N@@H+]1CCO[C@]2(CCSC2)C1 ZINC000573560751 564643360 /nfs/dbraw/zinc/64/33/60/564643360.db2.gz BONNNDCZJPETDV-RTBURBONSA-N 1 0 386.627 2.573 20 0 GFADRO COc1cc(Br)c(CN2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)cc1O ZINC000573576737 564644170 /nfs/dbraw/zinc/64/41/70/564644170.db2.gz WIYVARLHYYPAJJ-CRAIPNDOSA-N 1 0 399.329 2.882 20 0 GFADRO COc1ccc(OC)c(CC[NH2+][C@@H](C)Cn2cc(Br)ccc2=O)c1 ZINC000551267084 564644870 /nfs/dbraw/zinc/64/48/70/564644870.db2.gz KJXDCXHTCMLUSP-ZDUSSCGKSA-N 1 0 395.297 2.849 20 0 GFADRO O=C(COc1cc(Cl)ccc1Cl)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000573594292 564644991 /nfs/dbraw/zinc/64/49/91/564644991.db2.gz QIWLDKNRSNCPCR-UHFFFAOYSA-N 1 0 386.323 2.705 20 0 GFADRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(I)c(O)c2)C1 ZINC000457094664 564645898 /nfs/dbraw/zinc/64/58/98/564645898.db2.gz PBOWFLJSTIYRGK-LBPRGKRZSA-N 1 0 388.249 2.552 20 0 GFADRO O=C(c1cn(-c2ccc(Br)cc2)cn1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000573676587 564648685 /nfs/dbraw/zinc/64/86/85/564648685.db2.gz VBWNMFXRRQZZJA-KGLIPLIRSA-N 1 0 375.270 2.601 20 0 GFADRO COc1ccc(Br)c(CNC(=O)c2ccn([C@@H]3CCC[NH2+]C3)n2)c1 ZINC000486326910 564648704 /nfs/dbraw/zinc/64/87/04/564648704.db2.gz OQMILDXOOZIVOR-CYBMUJFWSA-N 1 0 393.285 2.509 20 0 GFADRO COCC[C@@H]([NH2+]CCCS(=O)(=O)N(C)C)c1ccc(Cl)c(Cl)c1 ZINC000551422404 564649023 /nfs/dbraw/zinc/64/90/23/564649023.db2.gz DOUJHWXCXCEGDH-OAHLLOKOSA-N 1 0 383.341 2.942 20 0 GFADRO CN(Cc1c[nH]cn1)S(=O)(=O)Cc1cc(Cl)ccc1Br ZINC000573743069 564651891 /nfs/dbraw/zinc/65/18/91/564651891.db2.gz FLGMQFJEFOGLSY-UHFFFAOYSA-N 1 0 378.679 2.787 20 0 GFADRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)c2nn(C)cc2Br)CC1 ZINC000486472906 564653273 /nfs/dbraw/zinc/65/32/73/564653273.db2.gz MICLHHLBHRGEIZ-LBPRGKRZSA-N 1 0 392.301 2.533 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)Nc2nc3ccsc3s2)CC1=O ZINC000522732539 564655881 /nfs/dbraw/zinc/65/58/81/564655881.db2.gz OJCIPWGTCXWTAN-RYUDHWBXSA-N 1 0 378.523 2.629 20 0 GFADRO O=C(NCCCC[NH+]1CCOCC1)N1CCc2ccc(Br)cc2C1 ZINC000551614693 564657885 /nfs/dbraw/zinc/65/78/85/564657885.db2.gz FCENNCIJZZJEOE-UHFFFAOYSA-N 1 0 396.329 2.629 20 0 GFADRO O=C(c1cn(C[C@H]2CCC[NH2+]2)nn1)N1CCc2c(Cl)cc(Cl)cc2C1 ZINC000573918054 564659798 /nfs/dbraw/zinc/65/97/98/564659798.db2.gz LJTXDPCACLFCTF-CYBMUJFWSA-N 1 0 380.279 2.535 20 0 GFADRO [NH3+]C[C@H]1CCCN(S(=O)(=O)Cc2cc(Cl)ccc2Br)C1 ZINC000573919050 564659806 /nfs/dbraw/zinc/65/98/06/564659806.db2.gz DBNNDZDFDPOUGN-SNVBAGLBSA-N 1 0 381.723 2.603 20 0 GFADRO C[C@@H]1C[C@H]1[N@@H+]1CCN(C(=O)C(=O)Nc2ccc(Br)cc2)C[C@@H](C)C1 ZINC000551693493 564660876 /nfs/dbraw/zinc/66/08/76/564660876.db2.gz WWYKUZFCTXVHGH-WOSRLPQWSA-N 1 0 394.313 2.576 20 0 GFADRO C[C@H]1C[N@H+](C)C[C@H]1C(=O)NC1CCN(Cc2ccc(Br)cc2)CC1 ZINC000486677167 564662114 /nfs/dbraw/zinc/66/21/14/564662114.db2.gz OLDINTKANLWNFN-KBXCAEBGSA-N 1 0 394.357 2.727 20 0 GFADRO CN(Cc1ccc(F)cc1Br)C(=O)C1(n2cccn2)CC[NH2+]CC1 ZINC000574041064 564666413 /nfs/dbraw/zinc/66/64/13/564666413.db2.gz YWDXCWUFFQAEST-UHFFFAOYSA-N 1 0 395.276 2.522 20 0 GFADRO C[C@@H]1CN(CCNC(=O)Cc2csc(-c3ccc(Cl)cc3)n2)CCO1 ZINC000523440084 564667286 /nfs/dbraw/zinc/66/72/86/564667286.db2.gz DDODDNHRVSMKIC-CYBMUJFWSA-N 1 0 379.913 2.843 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)NCc2n[nH]cc2Br)C1 ZINC000523432104 564667322 /nfs/dbraw/zinc/66/73/22/564667322.db2.gz BKPXRMRUQQWUJW-KGLIPLIRSA-N 1 0 398.349 2.968 20 0 GFADRO Cc1cc(CNC(=O)NC2CCN(CC[NH+](C)C)CC2)ccc1Br ZINC000457636054 564667459 /nfs/dbraw/zinc/66/74/59/564667459.db2.gz JSKQQTUAEAFDII-UHFFFAOYSA-N 1 0 397.361 2.583 20 0 GFADRO Cc1cc(Br)c(C(=O)NCC2(O)CC[NH+](C(C)C)CC2)s1 ZINC000457642862 564668144 /nfs/dbraw/zinc/66/81/44/564668144.db2.gz GESQYSRXEYAWCT-UHFFFAOYSA-N 1 0 375.332 2.784 20 0 GFADRO C[NH+]1CCC(CCNC(=O)c2cc(=O)c3cc(Br)ccc3[nH]2)CC1 ZINC000523650708 564669805 /nfs/dbraw/zinc/66/98/05/564669805.db2.gz IIKLZDBNWIMYBW-UHFFFAOYSA-N 1 0 392.297 2.752 20 0 GFADRO CCNC(=O)C1(C[NH2+]Cc2cn(-c3cccc(Cl)c3Cl)nn2)CCC1 ZINC000486902878 564670113 /nfs/dbraw/zinc/67/01/13/564670113.db2.gz PQWAPNGKGTTZKQ-UHFFFAOYSA-N 1 0 382.295 2.970 20 0 GFADRO CC(C)[C@@H]1CN(C(=O)NCc2cn3cc(Br)ccc3n2)CC[N@@H+]1C ZINC000487074575 564674497 /nfs/dbraw/zinc/67/44/97/564674497.db2.gz RFGHFZJHDHLWDS-HNNXBMFYSA-N 1 0 394.317 2.578 20 0 GFADRO COc1cc(C)c(Br)cc1C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000552054198 564675495 /nfs/dbraw/zinc/67/54/95/564675495.db2.gz OBYNZJTZFISSMW-MRXNPFEDSA-N 1 0 387.343 2.933 20 0 GFADRO Cc1ccc(Br)c(S(=O)(=O)NCC[NH2+][C@H](C)CC2CC2)c1 ZINC000552090440 564676658 /nfs/dbraw/zinc/67/66/58/564676658.db2.gz KFKNSSBSCKLMEA-GFCCVEGCSA-N 1 0 375.332 2.814 20 0 GFADRO C[C@@H](NC(=O)CCCc1cc(Cl)sc1Cl)C(=O)NCC[NH+](C)C ZINC000552081285 564676807 /nfs/dbraw/zinc/67/68/07/564676807.db2.gz DHQNPBRIBCVALS-SNVBAGLBSA-N 1 0 380.341 2.560 20 0 GFADRO COc1cc(OC)c([C@@H](C)[NH2+]C[C@H]2CCCCN2S(C)(=O)=O)cc1Cl ZINC000552100359 564676918 /nfs/dbraw/zinc/67/69/18/564676918.db2.gz HLDVEZUYVLEQEN-CHWSQXEVSA-N 1 0 390.933 2.822 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)c(C)c1C(=O)NC[C@H]1CCC[NH2+]1 ZINC000574519153 564677474 /nfs/dbraw/zinc/67/74/74/564677474.db2.gz HGTJMKXJOXYKFN-CQSZACIVSA-N 1 0 377.286 2.733 20 0 GFADRO CC[C@H]1CN(CC[NH2+]Cc2cc(OC)c(OC)cc2Br)CCO1 ZINC000487185126 564678645 /nfs/dbraw/zinc/67/86/45/564678645.db2.gz HYZVJQHNVPXEED-AWEZNQCLSA-N 1 0 387.318 2.667 20 0 GFADRO O=C(NCCc1cc(Br)ccc1F)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000574563374 564679194 /nfs/dbraw/zinc/67/91/94/564679194.db2.gz RPKYRXGPHYGLKX-HNNXBMFYSA-N 1 0 395.276 2.682 20 0 GFADRO CC(C)[N@H+](C)C[C@@H](C)NC(=O)c1ccc(F)c(I)c1 ZINC000574566718 564679667 /nfs/dbraw/zinc/67/96/67/564679667.db2.gz PVZACUVICSDKMQ-SNVBAGLBSA-N 1 0 378.229 2.889 20 0 GFADRO O=C(N[C@H]1C[NH2+]CCC1(F)F)c1ccc(Br)cc1Br ZINC000574571971 564680023 /nfs/dbraw/zinc/68/00/23/564680023.db2.gz RYOZZSVACACUTM-JTQLQIEISA-N 1 0 398.045 2.939 20 0 GFADRO C[C@H]1[NH2+]CC[C@H]1C(=O)NCc1cc(Cl)cc(I)c1 ZINC000574568823 564680347 /nfs/dbraw/zinc/68/03/47/564680347.db2.gz DNJAVKUBNIKLSE-PRHODGIISA-N 1 0 378.641 2.559 20 0 GFADRO CC(C)N(Cc1cccc(Br)c1)C(=O)C(=O)N[C@@H](C)CC[NH+](C)C ZINC000552191035 564681044 /nfs/dbraw/zinc/68/10/44/564681044.db2.gz PRVIKOZXXRQHFN-AWEZNQCLSA-N 1 0 398.345 2.643 20 0 GFADRO O=C(NCC[C@@H]1CC[NH2+]C1)N1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000574668078 564683912 /nfs/dbraw/zinc/68/39/12/564683912.db2.gz XNMYSYBDMHMLJB-XJKSGUPXSA-N 1 0 382.302 2.532 20 0 GFADRO CN(CCC[N@H+](C)Cc1ccncc1)C(=O)c1ccc(Br)cn1 ZINC000552360888 564687207 /nfs/dbraw/zinc/68/72/07/564687207.db2.gz XAZQYAUFXFGUKX-UHFFFAOYSA-N 1 0 377.286 2.833 20 0 GFADRO Cn1ccnc1Sc1ncc(C(=O)NCCC[NH+]2CCCC2)cc1Cl ZINC000552372995 564688315 /nfs/dbraw/zinc/68/83/15/564688315.db2.gz BFHKCYIGEKMFFU-UHFFFAOYSA-N 1 0 379.917 2.835 20 0 GFADRO O=C(N[C@H](c1cncc(Br)c1)C1CC1)N[C@H]1C[NH2+]CCC1(F)F ZINC000574975476 564689923 /nfs/dbraw/zinc/68/99/23/564689923.db2.gz AKVSOMNDCPLAKL-STQMWFEESA-N 1 0 389.244 2.592 20 0 GFADRO CC(C)NS(=O)(=O)CC[NH2+]Cc1cc2cc(Br)ccc2o1 ZINC000575002989 564690634 /nfs/dbraw/zinc/69/06/34/564690634.db2.gz AJCCDEXNQULCHX-UHFFFAOYSA-N 1 0 375.288 2.613 20 0 GFADRO COCCN(CC[NH+](C)C)C(=O)c1ccn(-c2ccc(Cl)cc2Cl)n1 ZINC000552498169 564693108 /nfs/dbraw/zinc/69/31/08/564693108.db2.gz RHHMFHUIJSJEDH-UHFFFAOYSA-N 1 0 385.295 2.829 20 0 GFADRO Cc1cc(NC(=O)Cn2cc(Br)ccc2=O)ccc1C[NH+](C)C ZINC000458288058 564697074 /nfs/dbraw/zinc/69/70/74/564697074.db2.gz PUUOTVVYBRWWFW-UHFFFAOYSA-N 1 0 378.270 2.620 20 0 GFADRO COC[C@H](C)CS(=O)(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000575604398 564700282 /nfs/dbraw/zinc/70/02/82/564700282.db2.gz RPMNUCZJOSOLKB-HNNXBMFYSA-N 1 0 388.961 2.754 20 0 GFADRO Ic1ccccc1[C@H]1CCC[N@@H+]1CCN1CCOCC1 ZINC000525409109 564700815 /nfs/dbraw/zinc/70/08/15/564700815.db2.gz SFGXHXYDNSRFQN-MRXNPFEDSA-N 1 0 386.277 2.760 20 0 GFADRO CC[C@H](NC(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1)[C@H](O)C(F)F ZINC000458446285 564702927 /nfs/dbraw/zinc/70/29/27/564702927.db2.gz ZTTMYRPZKNWSDF-VIRABCJISA-N 1 0 375.485 2.835 20 0 GFADRO COCCN(C)S(=O)(=O)[C@@H]1CCC[N@H+](CCCc2ccccc2Cl)C1 ZINC000488102761 564703747 /nfs/dbraw/zinc/70/37/47/564703747.db2.gz HSKIXGPAZUDKBA-QGZVFWFLSA-N 1 0 388.961 2.645 20 0 GFADRO O=S(=O)(c1ccc(F)c(Br)c1)N1CCCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000576016560 564704522 /nfs/dbraw/zinc/70/45/22/564704522.db2.gz FNWCQJTVHFRAKS-CABCVRRESA-N 1 0 391.306 2.883 20 0 GFADRO C[C@@H]1CSCC[N@H+](CC(=O)N2CCN(Cc3cccc(Cl)c3)CC2)C1 ZINC000488174416 564706738 /nfs/dbraw/zinc/70/67/38/564706738.db2.gz HSTWGGVCGFWNJD-INIZCTEOSA-N 1 0 381.973 2.669 20 0 GFADRO C[C@@H](CCNC(=O)N[C@@H](C)c1ncc(Br)cn1)[NH+]1CCCCC1 ZINC000576205296 564707650 /nfs/dbraw/zinc/70/76/50/564707650.db2.gz ILLJCMMWBKUSCM-STQMWFEESA-N 1 0 384.322 2.864 20 0 GFADRO CCSCC[C@H](C)NC(=O)C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000576236545 564709160 /nfs/dbraw/zinc/70/91/60/564709160.db2.gz RJUBEWDAKWCQHR-GJZGRUSLSA-N 1 0 383.583 2.649 20 0 GFADRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1ccccc1I ZINC000553100674 564709476 /nfs/dbraw/zinc/70/94/76/564709476.db2.gz SYVJKCJYHUFFQK-QWHCGFSZSA-N 1 0 384.261 2.990 20 0 GFADRO CO[C@@H]1CCN(C(=O)NCc2cn3cc(Br)cc(C)c3n2)C[C@H]1C ZINC000458641348 564709725 /nfs/dbraw/zinc/70/97/25/564709725.db2.gz CGRGLMAMRVPEOJ-IUODEOHRSA-N 1 0 395.301 2.972 20 0 GFADRO CC[C@@H](O)[C@@H](CC)NC(=O)NCc1cn2cc(Br)cc(C)c2n1 ZINC000458644255 564709897 /nfs/dbraw/zinc/70/98/97/564709897.db2.gz FLMZXBBAZGXBQW-ZIAGYGMSSA-N 1 0 383.290 2.754 20 0 GFADRO CC[C@@H](C)[C@@H]([NH2+]CCNS(=O)(=O)c1cnn(C)c1)c1ccc(Cl)cc1 ZINC000576250198 564710364 /nfs/dbraw/zinc/71/03/64/564710364.db2.gz HXAGPCHFXHWJHA-CXAGYDPISA-N 1 0 384.933 2.729 20 0 GFADRO COCC[N@H+](C)CCCNC(=O)NC1(Cc2ccccc2Br)CC1 ZINC000488377145 564711418 /nfs/dbraw/zinc/71/14/18/564711418.db2.gz GCRFPXBKMBJNFE-UHFFFAOYSA-N 1 0 398.345 2.792 20 0 GFADRO C[C@H](NC(=O)N[C@@H]1CCC[N@H+](CCCO)C1)c1ccc(Br)s1 ZINC000458687854 564711570 /nfs/dbraw/zinc/71/15/70/564711570.db2.gz NVOKLCVIZCEUJP-NWDGAFQWSA-N 1 0 390.347 2.718 20 0 GFADRO COc1cc(Br)ccc1CNC(=O)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000488501925 564713084 /nfs/dbraw/zinc/71/30/84/564713084.db2.gz HHUWFSGFBRIWLC-ABAIWWIYSA-N 1 0 382.302 2.740 20 0 GFADRO O=C(N[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000458725291 564714902 /nfs/dbraw/zinc/71/49/02/564714902.db2.gz HBVDRUHHXIRXMB-GRDNDAEWSA-N 1 0 386.323 2.995 20 0 GFADRO C[C@H](NC(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1)c1cccc(Cl)c1Cl ZINC000576491710 564715061 /nfs/dbraw/zinc/71/50/61/564715061.db2.gz YFKRALVQAMUKSQ-QWHCGFSZSA-N 1 0 384.307 2.867 20 0 GFADRO COc1cc(OCC(=O)NC2CC[NH+](C(C)C)CC2)ccc1Br ZINC000577006194 564722260 /nfs/dbraw/zinc/72/22/60/564722260.db2.gz OBLTWGZKIARGBL-UHFFFAOYSA-N 1 0 385.302 2.826 20 0 GFADRO CC1(C)C[NH2+]CC[C@H]1NC(=O)Cc1csc(NC(=O)c2cccs2)n1 ZINC000576988222 564722425 /nfs/dbraw/zinc/72/24/25/564722425.db2.gz NIIFIIWQJYKQFT-CYBMUJFWSA-N 1 0 378.523 2.504 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1cc(Br)c(F)cc1F ZINC000488888165 564723401 /nfs/dbraw/zinc/72/34/01/564723401.db2.gz FWUOPXYFYTVQLJ-SNVBAGLBSA-N 1 0 397.285 2.880 20 0 GFADRO CC(C)[N@H+](C)CC1CCN(S(=O)(=O)c2cnccc2C(F)(F)F)CC1 ZINC000526943548 564723749 /nfs/dbraw/zinc/72/37/49/564723749.db2.gz QVAZBHGLZNOVCP-UHFFFAOYSA-N 1 0 379.448 2.841 20 0 GFADRO Cc1nc(CNC(=O)N2CC[N@@H+](C)C[C@@H]2C(C)C)sc1Br ZINC000458926446 564723788 /nfs/dbraw/zinc/72/37/88/564723788.db2.gz LHYCYGQMTWHUNA-LLVKDONJSA-N 1 0 375.336 2.696 20 0 GFADRO Cc1nc(CNC(=O)N(CC[NH+](C)C)CC(C)C)sc1Br ZINC000458932798 564724819 /nfs/dbraw/zinc/72/48/19/564724819.db2.gz RMELIRGDSQZZBU-UHFFFAOYSA-N 1 0 377.352 2.943 20 0 GFADRO O=C(Cc1ccc(I)cc1)N1CC[NH+](C2CCC2)CC1 ZINC000488956770 564725051 /nfs/dbraw/zinc/72/50/51/564725051.db2.gz RMZIKNWCKCRUBY-UHFFFAOYSA-N 1 0 384.261 2.530 20 0 GFADRO Cc1nc2ccc(Br)cn2c1C(=O)NC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000526990500 564725717 /nfs/dbraw/zinc/72/57/17/564725717.db2.gz HEBBTHTXEPOOCM-CYBMUJFWSA-N 1 0 379.302 2.865 20 0 GFADRO CN(C(=O)Cc1ccc(I)cc1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000489034503 564726993 /nfs/dbraw/zinc/72/69/93/564726993.db2.gz BSMGKBMPDILDNH-HNNXBMFYSA-N 1 0 384.261 2.529 20 0 GFADRO C[NH+](C)CCCNS(=O)(=O)c1ccc(Br)c(C(F)(F)F)c1 ZINC000489047143 564727478 /nfs/dbraw/zinc/72/74/78/564727478.db2.gz SQCBTPGHNDCYEC-UHFFFAOYSA-N 1 0 389.237 2.698 20 0 GFADRO COc1cc(C)c(S(=O)(=O)N2C[C@H](SC)[C@@H]([NH+]3CCCC3)C2)c(C)c1 ZINC000527076718 564728729 /nfs/dbraw/zinc/72/87/29/564728729.db2.gz WNFVKMSRHBCJME-IRXDYDNUSA-N 1 0 384.567 2.512 20 0 GFADRO COc1cc(C)c(S(=O)(=O)N2C[C@@H](SC)[C@H]([NH+]3CCCC3)C2)c(C)c1 ZINC000527076717 564729150 /nfs/dbraw/zinc/72/91/50/564729150.db2.gz WNFVKMSRHBCJME-IAGOWNOFSA-N 1 0 384.567 2.512 20 0 GFADRO OC[C@]1([C@@H]([NH2+]Cc2cc3c(cc2Br)OCO3)C2CC2)CCCO1 ZINC000577196777 564729251 /nfs/dbraw/zinc/72/92/51/564729251.db2.gz PXHCKWABFUSDQD-IRXDYDNUSA-N 1 0 384.270 2.588 20 0 GFADRO C[C@@H](CNC(=O)N1CCC(Nc2cccc(Br)c2)CC1)[NH+](C)C ZINC000459036701 564729443 /nfs/dbraw/zinc/72/94/43/564729443.db2.gz FVEXFAJXLBDRGC-ZDUSSCGKSA-N 1 0 383.334 2.985 20 0 GFADRO C[C@H](C[C@H](C)[NH3+])NC(=O)N[C@@H](C)c1nc(-c2ccc(Br)cc2)no1 ZINC000577219525 564729570 /nfs/dbraw/zinc/72/95/70/564729570.db2.gz KJDBFBNEWPKJBX-AXFHLTTASA-N 1 0 396.289 2.985 20 0 GFADRO O=S(=O)(c1cnccc1C(F)(F)F)N1CCC([NH+]2CCCCC2)CC1 ZINC000527195063 564733517 /nfs/dbraw/zinc/73/35/17/564733517.db2.gz RBZAIXXRXXIIFB-UHFFFAOYSA-N 1 0 377.432 2.739 20 0 GFADRO O=C(Nc1ccc2nccnc2c1Br)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000577353459 564735139 /nfs/dbraw/zinc/73/51/39/564735139.db2.gz IUAWVTZWDWCPIV-PHIMTYICSA-N 1 0 376.258 2.751 20 0 GFADRO O=C(CNC(=O)c1ccc(Cl)cc1Cl)NC1CC([NH+]2CCCCC2)C1 ZINC000527270809 564735898 /nfs/dbraw/zinc/73/58/98/564735898.db2.gz IYGVQBHGPNYQMV-UHFFFAOYSA-N 1 0 384.307 2.856 20 0 GFADRO CC[N@@H+]1CCCN(C(=O)NCc2nc3c(cccc3Br)[nH]2)CC1 ZINC000459220940 564736165 /nfs/dbraw/zinc/73/61/65/564736165.db2.gz STSGUGPWKYCOIM-UHFFFAOYSA-N 1 0 380.290 2.563 20 0 GFADRO O=C(NCCn1cc(Br)cn1)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000553792580 564736734 /nfs/dbraw/zinc/73/67/34/564736734.db2.gz OZDXCXZFIIONLY-MRXNPFEDSA-N 1 0 398.349 2.742 20 0 GFADRO Cn1cc2c(n1)CCC[C@@H]2[NH2+]C[C@@H](O)COc1ccccc1Br ZINC000527316347 564739182 /nfs/dbraw/zinc/73/91/82/564739182.db2.gz GRPWCSAMMRXGLH-DOMZBBRYSA-N 1 0 380.286 2.590 20 0 GFADRO [NH3+]C[C@H]1CCCC[C@]12NC(=O)N(Cc1csc(-c3ccsc3)n1)C2=O ZINC000578068338 564740202 /nfs/dbraw/zinc/74/02/02/564740202.db2.gz ZVKWERFFZJPLBA-PXAZEXFGSA-N 1 0 376.507 2.811 20 0 GFADRO C[C@@H](CC[NH+](C)C)NS(=O)(=O)c1cc(Br)cc2cccnc21 ZINC000578348268 564743330 /nfs/dbraw/zinc/74/33/30/564743330.db2.gz CFVDMCHLMNCFAD-NSHDSACASA-N 1 0 386.315 2.616 20 0 GFADRO COCCO[C@H]1C[C@H](CO)CN(Cc2cc(Cl)cc(Br)c2)C1 ZINC000459430319 564744432 /nfs/dbraw/zinc/74/44/32/564744432.db2.gz QIIFMMOUWANZRQ-BBRMVZONSA-N 1 0 392.721 2.948 20 0 GFADRO CO[C@H]1CCN(C(=O)c2cc3sc(N4CCCC4)nc3s2)[C@@H](C[NH3+])C1 ZINC000579342999 564747364 /nfs/dbraw/zinc/74/73/64/564747364.db2.gz DHJYYEOWAZTJSW-NEPJUHHUSA-N 1 0 380.539 2.536 20 0 GFADRO NC(=O)[C@H]1CC[C@H](C[NH2+]C[C@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000579465261 564748407 /nfs/dbraw/zinc/74/84/07/564748407.db2.gz QICJGUXEUQBKBM-OBJOEFQTSA-N 1 0 375.296 2.614 20 0 GFADRO COc1cc(Br)c(CNC(=O)N(C2CC2)[C@H]2CC[NH2+]C2)cc1OC ZINC000579814591 564752134 /nfs/dbraw/zinc/75/21/34/564752134.db2.gz WKNTYROEAAHWCK-ZDUSSCGKSA-N 1 0 398.301 2.502 20 0 GFADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]CCc1c[nH]c2ncccc12 ZINC000579808501 564752340 /nfs/dbraw/zinc/75/23/40/564752340.db2.gz VGIHUEDWPOVTFI-GFCCVEGCSA-N 1 0 375.270 2.708 20 0 GFADRO [NH3+]CCCN(Cc1nnnn1-c1ccccc1Br)CC1CCCC1 ZINC000489794824 564752446 /nfs/dbraw/zinc/75/24/46/564752446.db2.gz IAWQLGYYFISOFO-UHFFFAOYSA-N 1 0 393.333 2.766 20 0 GFADRO Cc1cc(CNC(=O)Nc2ccnn2CC[NH+](C)C)ccc1Br ZINC000459603151 564752661 /nfs/dbraw/zinc/75/26/61/564752661.db2.gz HBBRGHGQXYEWQA-UHFFFAOYSA-N 1 0 380.290 2.837 20 0 GFADRO C[C@@]1(NC(=O)c2cc[nH]c(=O)c2Br)CC[N@H+](Cc2ccccc2)C1 ZINC000579972043 564754215 /nfs/dbraw/zinc/75/42/15/564754215.db2.gz ZZJSWKBPBNATKB-GOSISDBHSA-N 1 0 390.281 2.944 20 0 GFADRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+]Cc1c[nH]nc1-c1ccc(Br)s1 ZINC000527687834 564755582 /nfs/dbraw/zinc/75/55/82/564755582.db2.gz WCYGOYRRDNHKAP-GHMZBOCLSA-N 1 0 383.315 2.905 20 0 GFADRO COc1cc(C[NH2+]C[C@@H]2CCC[C@@H]2NS(C)(=O)=O)cc(C(F)(F)F)c1 ZINC000527677120 564755620 /nfs/dbraw/zinc/75/56/20/564755620.db2.gz YBQCLXPXIUNYJD-WFASDCNBSA-N 1 0 380.432 2.522 20 0 GFADRO CCCOc1c(Br)cc(C[NH2+]C[C@@H](O)[C@H]2CCCO2)cc1OC ZINC000527758208 564759677 /nfs/dbraw/zinc/75/96/77/564759677.db2.gz JABJJAOFOBSKIK-HUUCEWRRSA-N 1 0 388.302 2.876 20 0 GFADRO COc1cc(Br)c(CNC(=O)c2conc2C(C)(C)[NH3+])cc1OC ZINC000580464491 564760577 /nfs/dbraw/zinc/76/05/77/564760577.db2.gz RIJUREXXAAKBPJ-UHFFFAOYSA-N 1 0 398.257 2.578 20 0 GFADRO CCCN(C(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000459787941 564761107 /nfs/dbraw/zinc/76/11/07/564761107.db2.gz POBPCDSWNCKZTO-CPUCHLNUSA-N 1 0 386.945 2.805 20 0 GFADRO CC[NH+](CC)CCS(=O)(=O)N(C)Cc1cc(OC)c(OC)cc1SC ZINC000580500306 564761146 /nfs/dbraw/zinc/76/11/46/564761146.db2.gz FGCGSDIPVKSBNX-UHFFFAOYSA-N 1 0 390.571 2.529 20 0 GFADRO Cc1sc(Br)cc1S(=O)(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000490065557 564762001 /nfs/dbraw/zinc/76/20/01/564762001.db2.gz GQKVREMBWLYOSS-ZDUSSCGKSA-N 1 0 379.345 2.583 20 0 GFADRO CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000459852451 564762720 /nfs/dbraw/zinc/76/27/20/564762720.db2.gz BLMCAICDNUVEIT-AWEZNQCLSA-N 1 0 383.945 2.694 20 0 GFADRO O=C(NC[C@@H]1CCC[NH2+]1)N1CCC[C@H](Nc2cccc(Br)c2)C1 ZINC000580533088 564763411 /nfs/dbraw/zinc/76/34/11/564763411.db2.gz BZXQTMDDQZRAJQ-HOTGVXAUSA-N 1 0 381.318 2.787 20 0 GFADRO CC[NH+]1CCN(Cc2ccccc2CNC(=O)[C@H]2C[C@@]2(C)Br)CC1 ZINC000527942641 564765243 /nfs/dbraw/zinc/76/52/43/564765243.db2.gz XFWJSDGYWPDBOZ-IEBWSBKVSA-N 1 0 394.357 2.614 20 0 GFADRO CC(=O)Nc1cccc([C@H](C)[NH2+]Cc2ccc(S(N)(=O)=O)c(Cl)c2)c1 ZINC000580600508 564766061 /nfs/dbraw/zinc/76/60/61/564766061.db2.gz MHYAGFSMWIVLQD-NSHDSACASA-N 1 0 381.885 2.797 20 0 GFADRO O=S(=O)(N[C@@H]1CC[NH2+]C12CCC2)c1ccc(Cl)c(Br)c1 ZINC000528051198 564768338 /nfs/dbraw/zinc/76/83/38/564768338.db2.gz IPZOKWZQCUUNGE-GFCCVEGCSA-N 1 0 379.707 2.665 20 0 GFADRO Cc1cc(S(=O)(=O)N2CCC(CO[C@H]3CC[NH2+]C3)CC2)c(Cl)cc1F ZINC000528061682 564768799 /nfs/dbraw/zinc/76/87/99/564768799.db2.gz UIIZGAUUKYMRRN-AWEZNQCLSA-N 1 0 390.908 2.567 20 0 GFADRO CN1CCC[C@H]([NH2+]Cc2cc(Br)cc(Br)c2)C1=O ZINC000554718688 564771120 /nfs/dbraw/zinc/77/11/20/564771120.db2.gz YRFBWDFWTDWWQW-LBPRGKRZSA-N 1 0 376.092 2.922 20 0 GFADRO C[NH+]1CCN(c2cccc(-c3noc([C@@H]4C[C@]4(C)Br)n3)n2)CC1 ZINC000528146207 564771488 /nfs/dbraw/zinc/77/14/88/564771488.db2.gz GKJSBVDFVHTJSS-ZBEGNZNMSA-N 1 0 378.274 2.524 20 0 GFADRO [NH3+]CC[C@H]1CCCCN1C(=O)[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000580775427 564773851 /nfs/dbraw/zinc/77/38/51/564773851.db2.gz VMPKDTDWNPMOKL-ZBFHGGJFSA-N 1 0 394.313 2.532 20 0 GFADRO CCC[N@H+](CCC(=O)Nc1cc(Cl)ccc1Cl)[C@H]1CC(=O)N(C)C1=O ZINC000554841431 564774580 /nfs/dbraw/zinc/77/45/80/564774580.db2.gz HOFMJENFLCFWIB-AWEZNQCLSA-N 1 0 386.279 2.791 20 0 GFADRO CN(C)S(=O)(=O)[C@@H]1C[N@H+](C[C@H]2C[C@@H]2c2ccccc2)C[C@H]1C(F)(F)F ZINC000554878343 564775752 /nfs/dbraw/zinc/77/57/52/564775752.db2.gz LZUGMIZLGIZICO-KLHDSHLOSA-N 1 0 376.444 2.544 20 0 GFADRO O=C(CSc1nnc(-c2cccs2)n1C1CC1)NCC[NH+]1CCCC1 ZINC000490547961 564776507 /nfs/dbraw/zinc/77/65/07/564776507.db2.gz UJAPVTDFZHPFAC-UHFFFAOYSA-N 1 0 377.539 2.646 20 0 GFADRO Cc1cc(F)c(Br)cc1S(=O)(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000490558862 564776567 /nfs/dbraw/zinc/77/65/67/564776567.db2.gz UIBWCFNBRDNFDF-OAHLLOKOSA-N 1 0 391.306 2.613 20 0 GFADRO CCN(CCC[NH2+]Cc1c(Cl)cc(Cl)cc1N(C)C)S(C)(=O)=O ZINC000554978377 564779805 /nfs/dbraw/zinc/77/98/05/564779805.db2.gz JWWZIXJKPFUBMJ-UHFFFAOYSA-N 1 0 382.357 2.821 20 0 GFADRO C[C@@H]1CCc2ccc(Br)cc2[C@H]([NH2+]CCS(=O)(=O)N(C)C)C1 ZINC000555005350 564780930 /nfs/dbraw/zinc/78/09/30/564780930.db2.gz MEJVERLQJPOMID-MLGOLLRUSA-N 1 0 389.359 2.944 20 0 GFADRO C[NH+]1CCC(N(Cc2ccccc2Br)C(=O)N[C@@H]2CCOC2)CC1 ZINC000460832492 564781768 /nfs/dbraw/zinc/78/17/68/564781768.db2.gz BWQDXAZNQURGOE-OAHLLOKOSA-N 1 0 396.329 2.844 20 0 GFADRO CS[C@H]1CN(C(=O)c2cc(Br)cc(N(C)C)c2)C[C@H]1[NH+](C)C ZINC000490861783 564783096 /nfs/dbraw/zinc/78/30/96/564783096.db2.gz XDGRLRLQGKDVQH-CABCVRRESA-N 1 0 386.359 2.633 20 0 GFADRO O=S1(=O)CCC(O)(C[NH2+][C@@H](c2cccc(C(F)(F)F)c2)C2CC2)CC1 ZINC000581024196 564784829 /nfs/dbraw/zinc/78/48/29/564784829.db2.gz IRPXJHCATWQQMZ-OAHLLOKOSA-N 1 0 377.428 2.686 20 0 GFADRO CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCc1noc(-c2cccc(Br)c2)n1 ZINC000581069411 564785644 /nfs/dbraw/zinc/78/56/44/564785644.db2.gz FZMUSPOYKROHJG-OLZOCXBDSA-N 1 0 379.258 2.503 20 0 GFADRO COc1ccc(Br)cc1CC(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000460995130 564787390 /nfs/dbraw/zinc/78/73/90/564787390.db2.gz UVPFQRBXUCVFTB-UHFFFAOYSA-N 1 0 399.329 2.569 20 0 GFADRO C[C@@H]1[C@@H](NC(=O)Nc2ccc3nccnc3c2Br)CCC[N@@H+]1C ZINC000491116229 564787445 /nfs/dbraw/zinc/78/74/45/564787445.db2.gz UNUGNIKDORBCMM-MNOVXSKESA-N 1 0 378.274 2.997 20 0 GFADRO C[C@@H]1[C@H](NC(=O)Nc2ccc3nccnc3c2Br)CCC[N@@H+]1C ZINC000491116228 564787654 /nfs/dbraw/zinc/78/76/54/564787654.db2.gz UNUGNIKDORBCMM-GHMZBOCLSA-N 1 0 378.274 2.997 20 0 GFADRO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000461035047 564788220 /nfs/dbraw/zinc/78/82/20/564788220.db2.gz QWNUEZYXQUNQSV-CZUORRHYSA-N 1 0 396.329 2.647 20 0 GFADRO COc1cc([C@H](C)[NH2+]C[C@@H](O)COc2ccccc2Br)ccn1 ZINC000581200652 564792208 /nfs/dbraw/zinc/79/22/08/564792208.db2.gz QWLUSOOXYBVAQG-GXTWGEPZSA-N 1 0 381.270 2.943 20 0 GFADRO [NH3+]CC[C@H]1CCCCN1S(=O)(=O)c1cc(Cl)ccc1Br ZINC000581190857 564792333 /nfs/dbraw/zinc/79/23/33/564792333.db2.gz BDUDKSPSGGUOMI-LLVKDONJSA-N 1 0 381.723 2.995 20 0 GFADRO O=S(=O)(Cc1ccc(Br)cc1)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000528547015 564793273 /nfs/dbraw/zinc/79/32/73/564793273.db2.gz GKZBTZAJANPFSN-INIZCTEOSA-N 1 0 387.343 2.885 20 0 GFADRO CO[C@H](C[NH3+])C(=O)N[C@@](C)(Cc1cccc(Br)c1)c1ccccc1 ZINC000581245299 564794093 /nfs/dbraw/zinc/79/40/93/564794093.db2.gz HQKCMMPCYLURNM-MJGOQNOKSA-N 1 0 391.309 2.997 20 0 GFADRO C[C@@H]1CN(C(=O)c2cnc(Sc3nccn3C)c(Cl)c2)C[C@H]1[NH+](C)C ZINC000461618609 564800167 /nfs/dbraw/zinc/80/01/67/564800167.db2.gz PGDRBVQEATZMHW-BXUZGUMPSA-N 1 0 379.917 2.642 20 0 GFADRO C[N@@H+]1CCC[C@@H](CCNC(=O)c2cc(Br)c3c(c2)OCCO3)C1 ZINC000581414158 564801477 /nfs/dbraw/zinc/80/14/77/564801477.db2.gz PSMWXQHBTORFDZ-LBPRGKRZSA-N 1 0 383.286 2.682 20 0 GFADRO CCCN1C[C@@H](C[NH2+]C[C@H](O)COc2c(Cl)cccc2Cl)CC1=O ZINC000581425154 564801828 /nfs/dbraw/zinc/80/18/28/564801828.db2.gz ZJHAXDBVUJMISA-OLZOCXBDSA-N 1 0 375.296 2.581 20 0 GFADRO C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@@H]2CCc3c2cccc3Br)[C@@H](C)C1 ZINC000492756636 564803324 /nfs/dbraw/zinc/80/33/24/564803324.db2.gz KIAXZDJDBXNILW-GDZNZVCISA-N 1 0 396.329 2.533 20 0 GFADRO CCCC[C@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl ZINC000492870883 564804569 /nfs/dbraw/zinc/80/45/69/564804569.db2.gz HSZAVECEDCOHNB-WFASDCNBSA-N 1 0 387.933 2.874 20 0 GFADRO COCCOc1c(Cl)cc(S(=O)(=O)N2CC[C@@H]([NH3+])C[C@@H]2C)cc1Cl ZINC000581496740 564805235 /nfs/dbraw/zinc/80/52/35/564805235.db2.gz WYFCOLOTZMCOQY-WDEREUQCSA-N 1 0 397.324 2.519 20 0 GFADRO CC[NH+]1CCC(Nc2cc(I)cc(C(=O)OC)c2)CC1 ZINC000461893998 564807667 /nfs/dbraw/zinc/80/76/67/564807667.db2.gz JPOHYUKJKDEQIQ-UHFFFAOYSA-N 1 0 388.249 2.974 20 0 GFADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)Nc1ccc(Br)c(C2CC2)n1 ZINC000555882008 564808008 /nfs/dbraw/zinc/80/80/08/564808008.db2.gz KZYOMHHRRULIRU-NSHDSACASA-N 1 0 397.317 2.507 20 0 GFADRO O=C(N[C@@H]1CCOC2(CCSCC2)C1)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000581557894 564808219 /nfs/dbraw/zinc/80/82/19/564808219.db2.gz YOVQTDQXWMMPKO-IAGOWNOFSA-N 1 0 384.611 2.765 20 0 GFADRO O=C(CNC(=O)Nc1ccc(Br)cc1)NCC[NH+]1CCCCCC1 ZINC000581567477 564808222 /nfs/dbraw/zinc/80/82/22/564808222.db2.gz QKLADTMHXMJSBS-UHFFFAOYSA-N 1 0 397.317 2.563 20 0 GFADRO CN([C@@H](C[NH3+])C1CC1)S(=O)(=O)c1cc(Cl)c(Br)cc1F ZINC000461904938 564808646 /nfs/dbraw/zinc/80/86/46/564808646.db2.gz ZQYXKMJHFCAGPK-NSHDSACASA-N 1 0 385.686 2.599 20 0 GFADRO C[C@@H](CNS(=O)(=O)Cc1cccc(Br)c1)[NH+]1CCC(C)CC1 ZINC000555948034 564809549 /nfs/dbraw/zinc/80/95/49/564809549.db2.gz PKOXYWXEGCWEPT-AWEZNQCLSA-N 1 0 389.359 2.989 20 0 GFADRO O=C(CC[NH2+]Cc1ccc(OCCO)cc1)Nc1cccc(Br)c1 ZINC000581608277 564809792 /nfs/dbraw/zinc/80/97/92/564809792.db2.gz USRVGIIQKKJFSQ-UHFFFAOYSA-N 1 0 393.281 2.939 20 0 GFADRO C[C@@]1(Br)C[C@H]1C(=O)NCCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000528962331 564811798 /nfs/dbraw/zinc/81/17/98/564811798.db2.gz DFJQCGQSNGACAM-PKOBYXMFSA-N 1 0 395.341 2.993 20 0 GFADRO CC(C)S(=O)(=O)c1c(Cl)cccc1NC(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000556090988 564812338 /nfs/dbraw/zinc/81/23/38/564812338.db2.gz AEUKBYDUSUONFV-CYBMUJFWSA-N 1 0 387.933 2.938 20 0 GFADRO CSC[C@H](O)C[N@H+](C)Cc1cccc(NS(=O)(=O)c2ccccc2)c1 ZINC000493905567 564812510 /nfs/dbraw/zinc/81/25/10/564812510.db2.gz IJSXCLYEYGFFOD-QGZVFWFLSA-N 1 0 380.535 2.643 20 0 GFADRO Cc1cc(CNC(=O)NCC2=CC[N@H+](C)CC2)ccc1I ZINC000462042728 564813325 /nfs/dbraw/zinc/81/33/25/564813325.db2.gz YYERPGRIIYNBHQ-UHFFFAOYSA-N 1 0 399.276 2.661 20 0 GFADRO C[C@@H](C(=O)NC[C@H](O)C[NH+]1CCC(C)CC1)c1cccc(Br)c1 ZINC000462061841 564814429 /nfs/dbraw/zinc/81/44/29/564814429.db2.gz XDZNJACQJFWCNG-PBHICJAKSA-N 1 0 383.330 2.762 20 0 GFADRO Cc1ccc(NC(=O)[C@@H]2C[C@@]2(C)Br)cc1NC(=O)CC[NH+](C)C ZINC000529043064 564815676 /nfs/dbraw/zinc/81/56/76/564815676.db2.gz HHEQZWWKIWLQAY-SUMWQHHRSA-N 1 0 382.302 2.997 20 0 GFADRO CN1CC[NH+](Cc2ccc(NCc3ccc(S(C)(=O)=O)s3)cc2)CC1 ZINC000581773248 564817634 /nfs/dbraw/zinc/81/76/34/564817634.db2.gz JOWSUTAECNCJKK-UHFFFAOYSA-N 1 0 379.551 2.511 20 0 GFADRO O=C(NCCC[NH+]1CCCC1)[C@@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1 ZINC000494157487 564817775 /nfs/dbraw/zinc/81/77/75/564817775.db2.gz LLSSXDGZQCLCOM-CYBMUJFWSA-N 1 0 384.307 2.948 20 0 GFADRO O=C(NCCC[NH+]1CCCC1)N[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000494187092 564818928 /nfs/dbraw/zinc/81/89/28/564818928.db2.gz YFGOUGKTONBQIJ-MRXNPFEDSA-N 1 0 395.345 2.813 20 0 GFADRO C[C@H](Cc1ccc(Br)c(F)c1)[NH2+]C1CCC2(CC1)NC(=O)NC2=O ZINC000581911335 564822681 /nfs/dbraw/zinc/82/26/81/564822681.db2.gz PBQGTADOTRQHLP-MMODKWEGSA-N 1 0 398.276 2.630 20 0 GFADRO Cc1nc(C(F)(F)F)sc1C(=O)N1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000462246164 564828279 /nfs/dbraw/zinc/82/82/79/564828279.db2.gz MGRGVEGELVXPTQ-SDDRHHMPSA-N 1 0 377.432 2.794 20 0 GFADRO C[C@H](NC(=O)C[NH2+][C@H](CO)C1CCOCC1)c1ccc(Cl)cc1Cl ZINC000582082514 564830272 /nfs/dbraw/zinc/83/02/72/564830272.db2.gz MXVXXKXFZQSKOR-MEDUHNTESA-N 1 0 375.296 2.548 20 0 GFADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)NCC[NH+]2[C@H](C)CCC[C@H]2C)c1 ZINC000462281177 564830906 /nfs/dbraw/zinc/83/09/06/564830906.db2.gz QCPVSWDKFYHHBU-CHWSQXEVSA-N 1 0 388.917 2.668 20 0 GFADRO O=C(N[C@H]1CC[NH2+]C12CCC2)N1CCO[C@@H](c2cccc(Br)c2)C1 ZINC000529366663 564831200 /nfs/dbraw/zinc/83/12/00/564831200.db2.gz OHVZKNSTPXSRDL-CVEARBPZSA-N 1 0 394.313 2.817 20 0 GFADRO [NH3+]CC[C@H]1CCCN(C(=O)NCc2ccc(Br)c(F)c2F)C1 ZINC000529370002 564831986 /nfs/dbraw/zinc/83/19/86/564831986.db2.gz LQQUUWOTJRLBTQ-SNVBAGLBSA-N 1 0 376.245 2.998 20 0 GFADRO C[C@H]1CCN(C(=O)NCc2ccc(Br)c(F)c2F)C[C@H]1C[NH3+] ZINC000529370017 564832082 /nfs/dbraw/zinc/83/20/82/564832082.db2.gz LXOBNLXXEOKAHZ-GXSJLCMTSA-N 1 0 376.245 2.854 20 0 GFADRO Cc1ccc(S(=O)(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1Br ZINC000462323030 564833580 /nfs/dbraw/zinc/83/35/80/564833580.db2.gz BNSCXEMYCXFSBT-STQMWFEESA-N 1 0 375.332 2.861 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2cc(Cl)cc(C(=O)OC)c2)C[C@H]1C ZINC000462331959 564833706 /nfs/dbraw/zinc/83/37/06/564833706.db2.gz BLTSQXXVIKFYEN-DOMZBBRYSA-N 1 0 388.917 2.620 20 0 GFADRO COc1cc(OC)c(NC(=O)C[NH2+][C@H](CO)c2sccc2C)cc1Cl ZINC000494625937 564835067 /nfs/dbraw/zinc/83/50/67/564835067.db2.gz MTDODGNSSMSIOZ-CYBMUJFWSA-N 1 0 384.885 2.989 20 0 GFADRO Cc1cc(Br)cc2c1[C@@H]([NH2+][C@H]1CCN(c3cnn(C)c3)C1=O)CC2 ZINC000494641132 564836135 /nfs/dbraw/zinc/83/61/35/564836135.db2.gz DNUBRPRXAPTBPA-HOTGVXAUSA-N 1 0 389.297 2.873 20 0 GFADRO CCOC(=O)c1cc(C)sc1NC(=O)C[NH2+][C@@H](CO)c1sccc1C ZINC000494632488 564836353 /nfs/dbraw/zinc/83/63/53/564836353.db2.gz DQBZFOCVFFQBOX-ZDUSSCGKSA-N 1 0 382.507 2.865 20 0 GFADRO CC[NH+](CC)[C@H](C)CNS(=O)(=O)c1cnn(-c2ccc(Cl)cc2)c1C ZINC000462427788 564838717 /nfs/dbraw/zinc/83/87/17/564838717.db2.gz KFLIWEPXZBSGCF-CYBMUJFWSA-N 1 0 384.933 2.843 20 0 GFADRO CC[C@@H](CNC(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1)OC ZINC000462436122 564839509 /nfs/dbraw/zinc/83/95/09/564839509.db2.gz KVYVCIPNQLIFFH-INIZCTEOSA-N 1 0 386.334 2.947 20 0 GFADRO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(Br)c2c1OCCC2 ZINC000494804165 564839610 /nfs/dbraw/zinc/83/96/10/564839610.db2.gz KTHYOVAXOJWYRV-GFCCVEGCSA-N 1 0 379.298 2.988 20 0 GFADRO CC[NH+](CC)CC[C@@H](CO)NC(=O)c1c(C)c(C)sc1Br ZINC000556798112 564840693 /nfs/dbraw/zinc/84/06/93/564840693.db2.gz YTYIKFBCLLKFAN-LBPRGKRZSA-N 1 0 377.348 2.950 20 0 GFADRO O=C(NCC[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Cl)c1cccs1 ZINC000582355232 564842955 /nfs/dbraw/zinc/84/29/55/564842955.db2.gz BNIBBRYYGPJKQI-GFCCVEGCSA-N 1 0 389.304 2.814 20 0 GFADRO COC(=O)c1cc(S(=O)(=O)NCCCC[NH+]2C[C@@H](C)C[C@H](C)C2)cs1 ZINC000462535709 564846301 /nfs/dbraw/zinc/84/63/01/564846301.db2.gz PPJCMZBHORMZQJ-KBPBESRZSA-N 1 0 388.555 2.571 20 0 GFADRO C[C@H]([NH2+]C[C@@H](N1CCOCC1)C(F)(F)F)c1ccc(Br)cn1 ZINC000556924746 564847007 /nfs/dbraw/zinc/84/70/07/564847007.db2.gz VTUBUGMJJLYNHE-GXFFZTMASA-N 1 0 382.224 2.758 20 0 GFADRO OC[C@@]1([C@@H]([NH2+]Cc2cccc(I)c2)C2CC2)CCCO1 ZINC000556966978 564848732 /nfs/dbraw/zinc/84/87/32/564848732.db2.gz AGSIDNYFYDJUIQ-JKSUJKDBSA-N 1 0 387.261 2.701 20 0 GFADRO Cc1c(Br)cc(C(=O)NC[C@@H]2CC[N@@H+]2C2CCCCC2)c(=O)n1C ZINC000529721027 564848979 /nfs/dbraw/zinc/84/89/79/564848979.db2.gz WYYXECXQSZNAFX-AWEZNQCLSA-N 1 0 396.329 2.593 20 0 GFADRO Cc1cc(N2C[C@@H](C(=O)N[C@@H](C)CCCC[NH3+])CC2=O)ccc1Br ZINC000495119339 564849075 /nfs/dbraw/zinc/84/90/75/564849075.db2.gz FZIILFWVFXGLNW-KBPBESRZSA-N 1 0 396.329 2.744 20 0 GFADRO CC[NH+]1CCC(CNS(=O)(=O)c2ccc(C)c(Br)c2)CC1 ZINC000582523799 564850140 /nfs/dbraw/zinc/85/01/40/564850140.db2.gz RXPRFGRAQJDESZ-UHFFFAOYSA-N 1 0 375.332 2.768 20 0 GFADRO COC[C@@]1(C(=O)NCCc2csc(-c3ccc(Cl)cc3)n2)CC[NH2+]C1 ZINC000582549157 564852259 /nfs/dbraw/zinc/85/22/59/564852259.db2.gz NEHJTYPWLNVXIO-GOSISDBHSA-N 1 0 379.913 2.748 20 0 GFADRO O=C(Nc1ccc(Br)c(C2CC2)n1)N[C@@H]1C[NH2+]CCC1(F)F ZINC000582594308 564854044 /nfs/dbraw/zinc/85/40/44/564854044.db2.gz JNIKXIHXOQZYGK-SNVBAGLBSA-N 1 0 375.217 2.840 20 0 GFADRO COc1cc(CNC(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)cc(Br)c1OC ZINC000557137956 564854989 /nfs/dbraw/zinc/85/49/89/564854989.db2.gz UWXRUCGGIJRJGK-BETUJISGSA-N 1 0 398.301 2.502 20 0 GFADRO CN(CC(C)(C)C[NH3+])C(=O)NCCNc1ncc(C(F)(F)F)cc1Cl ZINC000557131221 564855230 /nfs/dbraw/zinc/85/52/30/564855230.db2.gz YBVULSAJBKZODK-UHFFFAOYSA-N 1 0 381.830 2.792 20 0 GFADRO CS[C@@H]1CN(C(=O)c2cccc(OCc3cscn3)c2)C[C@H]1[NH+](C)C ZINC000495621744 564856023 /nfs/dbraw/zinc/85/60/23/564856023.db2.gz WEMZEHJIDFBBMM-IAGOWNOFSA-N 1 0 377.535 2.840 20 0 GFADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)c1 ZINC000462709963 564856535 /nfs/dbraw/zinc/85/65/35/564856535.db2.gz FAVZWMWOZARJLB-HNNXBMFYSA-N 1 0 388.917 2.622 20 0 GFADRO CCCN(C(=O)NCc1cc(Br)cc2c1OCC2)[C@H]1CC[NH2+]C1 ZINC000557175483 564856912 /nfs/dbraw/zinc/85/69/12/564856912.db2.gz KKLIUWMMRITHHF-HNNXBMFYSA-N 1 0 382.302 2.668 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)C(=O)N1CC[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000495990192 564857637 /nfs/dbraw/zinc/85/76/37/564857637.db2.gz NSLSKIDGWAZEMF-BBRMVZONSA-N 1 0 394.313 2.503 20 0 GFADRO Cc1nccc(NC(=O)N(CC[NH3+])CCc2ccccc2)c1Br ZINC000582713457 564858337 /nfs/dbraw/zinc/85/83/37/564858337.db2.gz LBFGJADGXWTKFB-UHFFFAOYSA-N 1 0 377.286 2.610 20 0 GFADRO C[C@H](NC(=O)N1CCO[C@H](c2ccc(Br)cc2)C1)[C@H]1CCC[NH2+]C1 ZINC000557215451 564858399 /nfs/dbraw/zinc/85/83/99/564858399.db2.gz ZAARGBAIDHWZOB-QRTARXTBSA-N 1 0 396.329 2.920 20 0 GFADRO C[N@H+](CCNc1ncnc2ccc(I)cc21)C1CCCC1 ZINC000462829051 564858505 /nfs/dbraw/zinc/85/85/05/564858505.db2.gz VXAFDGZOMVQVFG-UHFFFAOYSA-N 1 0 396.276 3.521 20 0 GFADRO CO[C@@H]1CCC[C@H]1C[NH2+]CCS(=O)(=O)c1cccc(Br)c1 ZINC000582720802 564858951 /nfs/dbraw/zinc/85/89/51/564858951.db2.gz ICFJKZXJICBKOL-SWLSCSKDSA-N 1 0 376.316 2.628 20 0 GFADRO COc1nc(C)c(Br)cc1C(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000530024724 564860603 /nfs/dbraw/zinc/86/06/03/564860603.db2.gz AKHSAXPJRZVMJI-ZDUSSCGKSA-N 1 0 382.302 2.908 20 0 GFADRO Cc1ccc(C(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)cc1I ZINC000462878224 564861683 /nfs/dbraw/zinc/86/16/83/564861683.db2.gz KLBIMOSSCJASAT-DZGCQCFKSA-N 1 0 384.261 2.718 20 0 GFADRO CC[C@H](Cn1cncn1)[NH2+][C@H](C)c1ccc(Br)cc1OCCCO ZINC000462961468 564864522 /nfs/dbraw/zinc/86/45/22/564864522.db2.gz FRMGZSBGOUICLE-UKRRQHHQSA-N 1 0 397.317 2.931 20 0 GFADRO C[C@H](NS(=O)(=O)c1ccc(Br)c(Cl)c1)[C@@H]1CCC[NH2+]C1 ZINC000497355578 564865574 /nfs/dbraw/zinc/86/55/74/564865574.db2.gz YVOFHZBXJFTNAZ-VHSXEESVSA-N 1 0 381.723 2.769 20 0 GFADRO CSC1(C[NH2+]CCCNS(=O)(=O)c2ccccc2Br)CC1 ZINC000582932153 564867798 /nfs/dbraw/zinc/86/77/98/564867798.db2.gz RSPJOGPEQUFJJX-UHFFFAOYSA-N 1 0 393.372 2.603 20 0 GFADRO CC1(C)CC[N@H+](CC(=O)NC[C@H](O)COc2cccc(Cl)c2Cl)C1 ZINC000557569067 564867875 /nfs/dbraw/zinc/86/78/75/564867875.db2.gz BTEMAGMFVPXEOH-LBPRGKRZSA-N 1 0 375.296 2.581 20 0 GFADRO CC(C)(O)C[NH+]1CCN(c2ccc(Br)c(C(F)(F)F)n2)CC1 ZINC000557572150 564867990 /nfs/dbraw/zinc/86/79/90/564867990.db2.gz LGIXPTQNIAKEPK-UHFFFAOYSA-N 1 0 382.224 2.756 20 0 GFADRO C[NH+](C)CCN1CCN(C(=O)CSc2cccc(C(F)(F)F)c2)CC1 ZINC000497518846 564870320 /nfs/dbraw/zinc/87/03/20/564870320.db2.gz IQKKXADFEUCWGH-UHFFFAOYSA-N 1 0 375.460 2.503 20 0 GFADRO C[C@H]([NH2+]CCN1CCCOCC1)c1cc2c(cc1Br)OCCO2 ZINC000463153983 564870964 /nfs/dbraw/zinc/87/09/64/564870964.db2.gz XTNTUOHHNBWVAX-ZDUSSCGKSA-N 1 0 385.302 2.593 20 0 GFADRO C[C@@H](O)C[N@@H+]1CCN(c2ccc(Br)c(C(F)(F)F)n2)[C@@H](C)C1 ZINC000557658073 564871418 /nfs/dbraw/zinc/87/14/18/564871418.db2.gz ZLFIBLQRNFXNHL-VHSXEESVSA-N 1 0 382.224 2.754 20 0 GFADRO C[NH+](C)C1(CNC(=O)N2CCN(c3cccc(Br)c3)CC2)CCC1 ZINC000583039613 564872452 /nfs/dbraw/zinc/87/24/52/564872452.db2.gz MIRUQRHTUIECHV-UHFFFAOYSA-N 1 0 395.345 2.765 20 0 GFADRO COc1cc(NC(=O)N2C[C@@H]([NH+](C)C)[C@@H](SC)C2)ccc1Br ZINC000497660482 564872695 /nfs/dbraw/zinc/87/26/95/564872695.db2.gz JHNRHPPFJDLHNV-OCCSQVGLSA-N 1 0 388.331 2.967 20 0 GFADRO Fc1ccc(I)c(F)c1CN[C@@H]1CC[NH2+]C12CCC2 ZINC000530242793 564873185 /nfs/dbraw/zinc/87/31/85/564873185.db2.gz DIDMTFVQIIBUSR-GFCCVEGCSA-N 1 0 378.204 2.944 20 0 GFADRO C[C@H](NC[C@@H]1COCC[NH2+]1)c1ccc(Br)cc1Br ZINC000530220151 564873255 /nfs/dbraw/zinc/87/32/55/564873255.db2.gz JGKCESCDTXOSHL-GXSJLCMTSA-N 1 0 378.108 2.851 20 0 GFADRO C[NH+](C)CCOc1cc(NC(=O)COc2ccccc2Br)ccn1 ZINC000497693684 564874048 /nfs/dbraw/zinc/87/40/48/564874048.db2.gz HOEDYPACWQORNW-UHFFFAOYSA-N 1 0 394.269 2.802 20 0 GFADRO Cc1cc(C)c(C(=O)NCC[N@H+]2CC[C@@H](C)C2)cc1I ZINC000530299701 564874822 /nfs/dbraw/zinc/87/48/22/564874822.db2.gz LONXSGLUTSWDDW-LLVKDONJSA-N 1 0 386.277 2.980 20 0 GFADRO C[N@@H+]1CC[C@H](C(=O)NCc2ccc(I)cc2Cl)C1 ZINC000530316832 564875848 /nfs/dbraw/zinc/87/58/48/564875848.db2.gz ZJKHKCRFYOEQMW-JTQLQIEISA-N 1 0 378.641 2.513 20 0 GFADRO CN(CCC[N@H+](C)Cc1ccco1)C(=O)c1c[nH]c(=O)c(Br)c1 ZINC000557775253 564875902 /nfs/dbraw/zinc/87/59/02/564875902.db2.gz JCNZCEPETNOPJS-UHFFFAOYSA-N 1 0 382.258 2.737 20 0 GFADRO CN(CC1([NH+](C)C)CCC1)S(=O)(=O)c1c(F)cccc1OC(F)(F)F ZINC000557837855 564880803 /nfs/dbraw/zinc/88/08/03/564880803.db2.gz DGFHFSDSPVOHMZ-UHFFFAOYSA-N 1 0 384.395 2.829 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)CCNC(=O)c1cccs1)c1ccc(Cl)cc1 ZINC000530589458 564888364 /nfs/dbraw/zinc/88/83/64/564888364.db2.gz ONRWCXVQAKDYNH-HNNXBMFYSA-N 1 0 379.913 2.941 20 0 GFADRO C[C@@H]1CN(C(=O)c2c(Cl)cccc2I)C[C@H]1[NH+](C)C ZINC000463774444 564889989 /nfs/dbraw/zinc/88/99/89/564889989.db2.gz IDZVSCFGXXYXIY-BXKDBHETSA-N 1 0 392.668 2.967 20 0 GFADRO [NH3+]C[C@@H]1c2ccccc2CCN1C(=O)NCc1ccc(O)c(Br)c1 ZINC000583439332 564891310 /nfs/dbraw/zinc/89/13/10/564891310.db2.gz LTSMQFOIVNNNNW-MRXNPFEDSA-N 1 0 390.281 2.922 20 0 GFADRO C[C@@]1([NH3+])CCCC[C@H]1C(=O)NCCCNC(=O)c1ccc(Br)cc1 ZINC000498207142 564891719 /nfs/dbraw/zinc/89/17/19/564891719.db2.gz ALRNXGWIQUMHKL-MAUKXSAKSA-N 1 0 396.329 2.593 20 0 GFADRO C[C@H](NC(=O)[C@@H]([NH3+])CC(F)F)c1nc(-c2ccc(Br)cc2)no1 ZINC000498200480 564892061 /nfs/dbraw/zinc/89/20/61/564892061.db2.gz JGDZRZRDWAUASU-XVKPBYJWSA-N 1 0 389.200 2.659 20 0 GFADRO C[C@@H]1CC[C@H]([N@H+](CCO)C[C@@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000583468955 564892783 /nfs/dbraw/zinc/89/27/83/564892783.db2.gz RFLJNXNJJGMCBU-UHOFOFEASA-N 1 0 390.293 2.811 20 0 GFADRO C[NH+](C)[C@]1(CNC(=O)Nc2nc(CN3CCCCC3)cs2)CCSC1 ZINC000530777317 564894120 /nfs/dbraw/zinc/89/41/20/564894120.db2.gz KYKWWRCBHKGUCD-KRWDZBQOSA-N 1 0 383.587 2.688 20 0 GFADRO CN(CCNC(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C)CC(F)(F)F ZINC000530841380 564895972 /nfs/dbraw/zinc/89/59/72/564895972.db2.gz QLQJLBAVSSAIDE-AWEZNQCLSA-N 1 0 380.842 2.736 20 0 GFADRO CCOCCOc1ccc(Br)cc1C[NH2+][C@H]1CCC[C@H]1C(=O)NC ZINC000498358937 564896836 /nfs/dbraw/zinc/89/68/36/564896836.db2.gz KVJXUVZNNVSYHS-CVEARBPZSA-N 1 0 399.329 2.869 20 0 GFADRO CNC(=O)[C@H]1CCC[C@H]1[NH2+]Cc1cc(Br)c2c(c1)OCCCO2 ZINC000498371445 564897615 /nfs/dbraw/zinc/89/76/15/564897615.db2.gz DATMQMMCPPEHJC-GXTWGEPZSA-N 1 0 383.286 2.615 20 0 GFADRO CC[NH+](CC)[C@H](CNC(=O)CS(=O)(=O)c1ccc(Cl)cc1)CC(C)C ZINC000498455420 564899446 /nfs/dbraw/zinc/89/94/46/564899446.db2.gz VDNXTAXMBCNNKA-INIZCTEOSA-N 1 0 388.961 2.986 20 0 GFADRO CC[N@@H+]1C[C@@H](C)N(C(=O)c2cc(I)ccc2F)C[C@H]1C ZINC000498567024 564902828 /nfs/dbraw/zinc/90/28/28/564902828.db2.gz LAXWGOFFXRHPBG-GHMZBOCLSA-N 1 0 390.240 2.985 20 0 GFADRO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1cc(C)c(Br)cc1F ZINC000498661813 564905023 /nfs/dbraw/zinc/90/50/23/564905023.db2.gz KBHMGTYYUWPTCG-LLVKDONJSA-N 1 0 388.281 2.682 20 0 GFADRO C[C@@H]1CC[N@H+](CCNC(=O)C(=O)Nc2cc(Cl)ccc2C(F)(F)F)C1 ZINC000558555091 564906185 /nfs/dbraw/zinc/90/61/85/564906185.db2.gz ASKLLKTYEPNIOP-SNVBAGLBSA-N 1 0 377.794 2.755 20 0 GFADRO C[NH+](C)C1(CNS(=O)(=O)c2c(F)cccc2Cl)Cc2ccccc2C1 ZINC000464426222 564906461 /nfs/dbraw/zinc/90/64/61/564906461.db2.gz JBZOPVAXTUHJCL-UHFFFAOYSA-N 1 0 382.888 2.857 20 0 GFADRO O=C(CC[N@@H+]1CCCC[C@@H]1[C@H]1CNC(=O)C1)Nc1ccccc1Br ZINC000583798595 564907689 /nfs/dbraw/zinc/90/76/89/564907689.db2.gz RVBQFWOEQHPFSU-CZUORRHYSA-N 1 0 394.313 2.768 20 0 GFADRO Cc1cc(N2CCC[C@H]([N@@H+]3CC[C@H](C)[C@@H](O)C3)C2=O)ccc1Br ZINC000464492869 564907839 /nfs/dbraw/zinc/90/78/39/564907839.db2.gz DOLNBLMLWCSLMM-ZLIFDBKOSA-N 1 0 381.314 2.956 20 0 GFADRO CCCOc1c(Br)cc(C[NH2+][C@@H]2CCCN(C)C2=O)cc1OC ZINC000531360142 564908627 /nfs/dbraw/zinc/90/86/27/564908627.db2.gz SFVSFKUNFAAMRS-CQSZACIVSA-N 1 0 385.302 2.957 20 0 GFADRO CC(C)(C)[C@@H](O)C[C@@H](CO)[NH2+]CCC(=O)Nc1cccc(Br)c1 ZINC000583812775 564909105 /nfs/dbraw/zinc/90/91/05/564909105.db2.gz TZPDEWVYNWAQFD-GJZGRUSLSA-N 1 0 387.318 2.525 20 0 GFADRO C[N@@H+]1C[C@H](NS(=O)(=O)c2cccc(Br)c2)[C@@H](c2ccccc2)C1 ZINC000498853299 564910525 /nfs/dbraw/zinc/91/05/25/564910525.db2.gz IPJHWOIVMQAWLV-SJORKVTESA-N 1 0 395.322 2.825 20 0 GFADRO Cc1nc(C(F)(F)F)sc1C(=O)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000464560359 564910813 /nfs/dbraw/zinc/91/08/13/564910813.db2.gz YCMNNKRKZNQVFC-UHFFFAOYSA-N 1 0 378.464 2.568 20 0 GFADRO COC(=O)CCN(Cc1cccc(Br)c1)C(=O)[C@H](C)[NH+]1CC(C)C1 ZINC000584004044 564915653 /nfs/dbraw/zinc/91/56/53/564915653.db2.gz XDIDSENVKQJJKO-AWEZNQCLSA-N 1 0 397.313 2.681 20 0 GFADRO Cc1ccc(F)c(NC(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)c1Br ZINC000558841583 564916095 /nfs/dbraw/zinc/91/60/95/564916095.db2.gz RTWHTSHRRVWCPS-GFCCVEGCSA-N 1 0 398.276 2.532 20 0 GFADRO C[NH+](C)C[C@H]1CCCN1C(=O)[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000464928107 564920854 /nfs/dbraw/zinc/92/08/54/564920854.db2.gz WIVRDYVPMXITKM-ZIAGYGMSSA-N 1 0 384.307 2.899 20 0 GFADRO [NH3+][C@@H]1CCCC[C@@H]1CC(=O)Nc1ncn(Cc2cccc(Br)c2)n1 ZINC000584113747 564921696 /nfs/dbraw/zinc/92/16/96/564921696.db2.gz GPMCJVBRNMCMRH-UKRRQHHQSA-N 1 0 392.301 2.935 20 0 GFADRO C[NH+](C)Cc1ccc(S(=O)(=O)N[C@H](c2nccs2)C(F)(F)F)cc1 ZINC000559138516 564924311 /nfs/dbraw/zinc/92/43/11/564924311.db2.gz IEIRCEVMEXTBQE-GFCCVEGCSA-N 1 0 379.429 2.787 20 0 GFADRO CC[C@@H](C(=O)N1CCN([C@@H](C)c2ccc(Br)cc2)CC1)[NH+](C)C ZINC000531957906 564924890 /nfs/dbraw/zinc/92/48/90/564924890.db2.gz LDPQIILKSWZKMH-YOEHRIQHSA-N 1 0 382.346 2.995 20 0 GFADRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N[C@@H](C)c2ncc(Br)cn2)C1 ZINC000584209619 564925117 /nfs/dbraw/zinc/92/51/17/564925117.db2.gz GYVAMAUFCZVOQJ-STQMWFEESA-N 1 0 384.322 2.720 20 0 GFADRO COc1cccc(C(=O)NCC[NH2+][C@H](C)c2ccc(Br)cn2)c1 ZINC000584207115 564925257 /nfs/dbraw/zinc/92/52/57/564925257.db2.gz HVOOPUNXUVCWTN-GFCCVEGCSA-N 1 0 378.270 2.933 20 0 GFADRO CN(Cc1cc(Br)cs1)C(=O)Cn1cc2c(n1)[C@@H]([NH3+])CCC2 ZINC000584226950 564926076 /nfs/dbraw/zinc/92/60/76/564926076.db2.gz YDLAZQXDUTXFKS-ZDUSSCGKSA-N 1 0 383.315 2.702 20 0 GFADRO C[C@@H]1CN(C(=O)Cn2cc(Br)cn2)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC000499436173 564927332 /nfs/dbraw/zinc/92/73/32/564927332.db2.gz BDKSTDZTPXQKGF-CABCVRRESA-N 1 0 391.313 2.767 20 0 GFADRO CCOCCCNC(=O)[C@@H](C)[NH2+][C@@H](c1cncc(Br)c1)C1CC1 ZINC000584306651 564929472 /nfs/dbraw/zinc/92/94/72/564929472.db2.gz RIKKHNMVTZZFOG-MLGOLLRUSA-N 1 0 384.318 2.816 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)N[C@H]2CCN(c3ccc(Br)cc3)C2)CC[N@@H+]1C ZINC000465929108 564933486 /nfs/dbraw/zinc/93/34/86/564933486.db2.gz HGOVUKWIODWYIC-BMFZPTHFSA-N 1 0 395.345 2.810 20 0 GFADRO C[C@H](CNC(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1)Oc1ccc(Br)cc1 ZINC000466032194 564935481 /nfs/dbraw/zinc/93/54/81/564935481.db2.gz HWYQYSWPKZHGBX-GUTXKFCHSA-N 1 0 384.318 2.998 20 0 GFADRO C[C@@H]1CN(C)C[C@@H]1[NH2+]CC(C)(C)S(=O)(=O)c1ccc(Br)cc1 ZINC000532353007 564936107 /nfs/dbraw/zinc/93/61/07/564936107.db2.gz BXHKAPSWZCSZTO-DOMZBBRYSA-N 1 0 389.359 2.541 20 0 GFADRO COCCOCC[NH2+][C@H]1CCCOc2ccc(I)cc21 ZINC000532465459 564938992 /nfs/dbraw/zinc/93/89/92/564938992.db2.gz RTHUOPFQKITGDL-AWEZNQCLSA-N 1 0 391.249 2.758 20 0 GFADRO C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)NCc2ccsc2)[C@H]1c1cccs1 ZINC000559730312 564939080 /nfs/dbraw/zinc/93/90/80/564939080.db2.gz NNGFAIYEANFJBZ-HOCLYGCPSA-N 1 0 377.535 2.625 20 0 GFADRO O=S(=O)(NCCC[NH2+]Cc1ccc2c[nH]nc2c1)c1ccccc1Cl ZINC000466380361 564939723 /nfs/dbraw/zinc/93/97/23/564939723.db2.gz NCZXVAQFNIAVAH-UHFFFAOYSA-N 1 0 378.885 2.675 20 0 GFADRO COCC(=O)N1CCC([NH2+][C@H]2CCCOc3ccc(Br)cc32)CC1 ZINC000532510976 564940162 /nfs/dbraw/zinc/94/01/62/564940162.db2.gz ATLPMUNEQZEHQZ-INIZCTEOSA-N 1 0 397.313 2.890 20 0 GFADRO C[NH+](C)CCc1ccc(CNc2cc(Br)cnc2C(N)=O)cc1 ZINC000466432991 564940491 /nfs/dbraw/zinc/94/04/91/564940491.db2.gz CQRBJSKGZMUUKR-UHFFFAOYSA-N 1 0 377.286 2.659 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cccc(F)c1I ZINC000532755426 564944460 /nfs/dbraw/zinc/94/44/60/564944460.db2.gz IFOXMYMVVIZBLB-SNVBAGLBSA-N 1 0 376.213 2.644 20 0 GFADRO C[C@H](CNS(=O)(=O)c1ccc(OC(F)F)c(F)c1)C[NH+]1CCCCC1 ZINC000560022448 564945801 /nfs/dbraw/zinc/94/58/01/564945801.db2.gz PQMXMYOISJRUPD-GFCCVEGCSA-N 1 0 380.432 2.827 20 0 GFADRO CC[N@@H+]1C[C@H](C)N(C(=O)c2ccc(Br)cc2-n2cncn2)C[C@H]1C ZINC000500122168 564946408 /nfs/dbraw/zinc/94/64/08/564946408.db2.gz NZIRFEAIXZZGBI-OLZOCXBDSA-N 1 0 392.301 2.585 20 0 GFADRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N1CCN(Cc2ccc(Cl)s2)CC1 ZINC000466763188 564947354 /nfs/dbraw/zinc/94/73/54/564947354.db2.gz JMNKZZWOVUMRQD-CZUORRHYSA-N 1 0 382.961 2.711 20 0 GFADRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N(C)CCOc1ccc(Br)cc1 ZINC000466796202 564947981 /nfs/dbraw/zinc/94/79/81/564947981.db2.gz RLXHJVRUVNCWIY-CXAGYDPISA-N 1 0 396.329 2.952 20 0 GFADRO COc1ccc(Cl)cc1CS(=O)(=O)NCCN(C)Cc1ccccc1 ZINC000500327241 564950474 /nfs/dbraw/zinc/95/04/74/564950474.db2.gz KFUPTZPDZSEDMD-UHFFFAOYSA-N 1 0 382.913 2.900 20 0 GFADRO COc1cc(C[NH2+][C@@H]2CCO[C@@H](c3nccn3C)C2)cc(Br)c1O ZINC000560126264 564950924 /nfs/dbraw/zinc/95/09/24/564950924.db2.gz VOVCCPWHPGONBI-IUODEOHRSA-N 1 0 396.285 2.907 20 0 GFADRO C[N@@H+]1CCN(CC(=O)NCc2ccc(Cl)s2)C[C@@H]1Cc1ccccc1 ZINC000560169168 564952500 /nfs/dbraw/zinc/95/25/00/564952500.db2.gz LBFOQZHHEPJNLF-INIZCTEOSA-N 1 0 377.941 2.876 20 0 GFADRO C[C@@H]1C[C@H](N(C)C(=O)c2cccc(F)c2I)CC[N@@H+]1C ZINC000533069614 564952658 /nfs/dbraw/zinc/95/26/58/564952658.db2.gz MQSFIPIBBSZOQS-GHMZBOCLSA-N 1 0 390.240 2.985 20 0 GFADRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)CCOc1ccc(Br)cc1F ZINC000467028953 564953058 /nfs/dbraw/zinc/95/30/58/564953058.db2.gz OFSPRGXMGWSWBX-XHDPSFHLSA-N 1 0 385.277 2.956 20 0 GFADRO Cn1cc([C@H]2C[N@@H+]([C@@H]3CCc4c3cc(Cl)cc4Cl)C[C@@H]2C(N)=O)cn1 ZINC000500441235 564953506 /nfs/dbraw/zinc/95/35/06/564953506.db2.gz YPEXTJDVEMQYLX-HLLBOEOZSA-N 1 0 379.291 2.915 20 0 GFADRO COc1cc(Br)ccc1[C@H](C)[NH2+]C[C@@H]1CCCS(=O)(=O)C1 ZINC000560194652 564953676 /nfs/dbraw/zinc/95/36/76/564953676.db2.gz HXMZFJAHPIAVSB-RYUDHWBXSA-N 1 0 376.316 2.933 20 0 GFADRO CS(=O)(=O)NC[C@@H]1CCC[C@@H]1[NH2+]Cc1c[nH]nc1-c1cccc(Cl)c1 ZINC000500465054 564954285 /nfs/dbraw/zinc/95/42/85/564954285.db2.gz UYFKQABFPAZGIB-BBRMVZONSA-N 1 0 382.917 2.538 20 0 GFADRO CS(=O)(=O)NC[C@H]1CCC[C@H]1[NH2+]Cc1ccc(Cl)c(Br)c1 ZINC000500472688 564955275 /nfs/dbraw/zinc/95/52/75/564955275.db2.gz AQMJLXTVGSXFGE-BXUZGUMPSA-N 1 0 395.750 2.910 20 0 GFADRO CS(=O)(=O)NC[C@H]1CCC[C@@H]1[NH2+]Cc1csc(-c2ccc(F)cc2)n1 ZINC000500473378 564955568 /nfs/dbraw/zinc/95/55/68/564955568.db2.gz AZLYGXRQRAMDCV-CJNGLKHVSA-N 1 0 383.514 2.757 20 0 GFADRO Cc1ccc(-c2ncc(C[NH2+][C@H]3CCC[C@@H]3CNS(C)(=O)=O)s2)cc1 ZINC000500543797 564956891 /nfs/dbraw/zinc/95/68/91/564956891.db2.gz FVJSMHWJTDYGRA-WBVHZDCISA-N 1 0 379.551 2.926 20 0 GFADRO O[C@@H](COc1ccc(Br)cc1)C[NH+]1CCC(c2ncc[nH]2)CC1 ZINC000467154788 564957894 /nfs/dbraw/zinc/95/78/94/564957894.db2.gz HPOSOPTXSMFDND-OAHLLOKOSA-N 1 0 380.286 2.792 20 0 GFADRO C[N@H+](CC(=O)N1CCOC[C@@H]1c1nc2ccccc2s1)[C@H]1CCSC1 ZINC000500673906 564959923 /nfs/dbraw/zinc/95/99/23/564959923.db2.gz AFWCWXVEVWLUFB-DZGCQCFKSA-N 1 0 377.535 2.634 20 0 GFADRO CCc1nn(C)c(OC)c1C[NH2+]CCC(=O)Nc1ccc(Br)cc1 ZINC000560403806 564960405 /nfs/dbraw/zinc/96/04/05/564960405.db2.gz VHRYDBLBHWXPCO-UHFFFAOYSA-N 1 0 395.301 2.872 20 0 GFADRO COC(C)(C)C[N@H+](C)[C@H](C)C(=O)Nc1cccc(I)c1 ZINC000533342288 564961150 /nfs/dbraw/zinc/96/11/50/564961150.db2.gz YPSUXSGFJFLIQQ-LLVKDONJSA-N 1 0 390.265 2.975 20 0 GFADRO Brc1cccc([C@H]([NH2+]CCNc2cnccn2)C2CCOCC2)c1 ZINC000467398810 564961742 /nfs/dbraw/zinc/96/17/42/564961742.db2.gz LUOYYBWSOQCHCU-GOSISDBHSA-N 1 0 391.313 3.409 20 0 GFADRO C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+]C[C@@H]1CCC[C@H]1NS(C)(=O)=O ZINC000467359119 564962028 /nfs/dbraw/zinc/96/20/28/564962028.db2.gz AZHBDRDYLCDUFT-IVMMDQJWSA-N 1 0 378.460 2.944 20 0 GFADRO CS(=O)(=O)[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc(Cl)ccc1N1CCOCC1 ZINC000467413421 564962594 /nfs/dbraw/zinc/96/25/94/564962594.db2.gz XJHMWIHLCPJKQN-FUHWJXTLSA-N 1 0 386.945 2.622 20 0 GFADRO COc1ccc(Br)cc1C(=O)N1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000533478474 564963264 /nfs/dbraw/zinc/96/32/64/564963264.db2.gz YPDVEVFCFLBVER-FRFSOERESA-N 1 0 397.313 2.781 20 0 GFADRO O=C(CSCc1ccc(Cl)cc1Cl)NC[C@]1(O)C[NH+]2CCC1CC2 ZINC000560505311 564965539 /nfs/dbraw/zinc/96/55/39/564965539.db2.gz KWNILGPLCOTPMU-KRWDZBQOSA-N 1 0 389.348 2.800 20 0 GFADRO COc1ccc(C(=O)N2CC[C@H](OCC[NH+]3CCCC3)C2)c(Br)c1 ZINC000533562848 564965725 /nfs/dbraw/zinc/96/57/25/564965725.db2.gz XPEBZGCIQKAJKR-HNNXBMFYSA-N 1 0 397.313 2.785 20 0 GFADRO Cc1sc(=O)n(CC(=O)NC[C@@H](C[NH+](C)C)c2ccc(Cl)cc2)c1C ZINC000560506183 564965726 /nfs/dbraw/zinc/96/57/26/564965726.db2.gz MUJUSRPFIBNDMM-HNNXBMFYSA-N 1 0 381.929 2.642 20 0 GFADRO O=C(NCCOc1cccc(Cl)c1Cl)NC[C@@H]1CCC[N@H+]1CCCO ZINC000560500403 564965756 /nfs/dbraw/zinc/96/57/56/564965756.db2.gz GFXAAIYZBZHGDI-ZDUSSCGKSA-N 1 0 390.311 2.518 20 0 GFADRO CCOc1c(Cl)cc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)cc1Cl ZINC000467615270 564967967 /nfs/dbraw/zinc/96/79/67/564967967.db2.gz MYXBXPVZAAYDSL-SNVBAGLBSA-N 1 0 386.279 2.684 20 0 GFADRO O=S(=O)(NCCC[NH2+]C(C1CC1)C1CC1)c1ccccc1Br ZINC000560574481 564968074 /nfs/dbraw/zinc/96/80/74/564968074.db2.gz NEKMHUKOKNXDJP-UHFFFAOYSA-N 1 0 387.343 2.896 20 0 GFADRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1cn(-c2ccc(Br)cc2)cn1 ZINC000533694591 564969987 /nfs/dbraw/zinc/96/99/87/564969987.db2.gz YQSPMWBNPWJRHW-LRDDRELGSA-N 1 0 389.297 2.847 20 0 GFADRO O=C(NCC[NH+]1CCCCC1)c1cn(-c2ccc(Br)cc2)cn1 ZINC000533689646 564970030 /nfs/dbraw/zinc/97/00/30/564970030.db2.gz IGVSKSXNMPSIRG-UHFFFAOYSA-N 1 0 377.286 2.851 20 0 GFADRO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)c2cc(F)cc(Br)c2)CC1 ZINC000501109768 564970679 /nfs/dbraw/zinc/97/06/79/564970679.db2.gz TVUYLNXMRPQNRD-KRWDZBQOSA-N 1 0 398.320 2.830 20 0 GFADRO CC[NH+](CC)CCSCC(=O)NCc1cn2cc(Br)ccc2n1 ZINC000467978306 564976113 /nfs/dbraw/zinc/97/61/13/564976113.db2.gz QNHZTUNXJNASLB-UHFFFAOYSA-N 1 0 399.358 2.788 20 0 GFADRO CC[C@@]1(C)CC[N@H+](CC(=O)NCC(=O)Nc2ccccc2Br)C1 ZINC000468130692 564978322 /nfs/dbraw/zinc/97/83/22/564978322.db2.gz OVKPBIWVEYUNPT-KRWDZBQOSA-N 1 0 382.302 2.626 20 0 GFADRO CS[C@@H]1CN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)C[C@H]1[NH+](C)C ZINC000501416137 564978724 /nfs/dbraw/zinc/97/87/24/564978724.db2.gz KIYPHFHREODRAW-ZIAGYGMSSA-N 1 0 383.366 2.801 20 0 GFADRO CC(C)[NH+]1CCC(O)(CNS(=O)(=O)Cc2ccc(Cl)cc2Cl)CC1 ZINC000501421041 564978764 /nfs/dbraw/zinc/97/87/64/564978764.db2.gz QHOJJTYGUYYFAL-UHFFFAOYSA-N 1 0 395.352 2.648 20 0 GFADRO O=C(Nc1nnc(-c2c(F)cccc2Cl)s1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000561008667 564980992 /nfs/dbraw/zinc/98/09/92/564980992.db2.gz AWKVYRBZFJDLCZ-SNVBAGLBSA-N 1 0 381.864 3.356 20 0 GFADRO Cc1cccc(CNC(=O)NC[C@@]2([NH+](C)C)CCSC2)c1Br ZINC000468666994 564989839 /nfs/dbraw/zinc/98/98/39/564989839.db2.gz JZNLSUBHPXCTIA-INIZCTEOSA-N 1 0 386.359 2.994 20 0 GFADRO C[C@@H]1CCC[N@H+](CCNS(=O)(=O)c2c(F)cccc2OC(F)(F)F)C1 ZINC000561343366 564992306 /nfs/dbraw/zinc/99/23/06/564992306.db2.gz ZJQCHWPJDQANRD-LLVKDONJSA-N 1 0 384.395 2.735 20 0 GFADRO CCc1n[nH]c(C(=O)NC[C@H](C)[N@H+](C)Cc2ccccc2)c1Br ZINC000468836626 564995165 /nfs/dbraw/zinc/99/51/65/564995165.db2.gz CVOGNPDBZAKKOE-LBPRGKRZSA-N 1 0 379.302 2.985 20 0 GFADRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)S(=O)(=O)Cc1ccccc1Br ZINC000561518196 564998507 /nfs/dbraw/zinc/99/85/07/564998507.db2.gz UXFXMANZFSAAPM-WFASDCNBSA-N 1 0 375.332 2.551 20 0 GFADRO CCOc1cc(C[NH2+]Cc2cccc(C(N)=O)c2)cc(Br)c1O ZINC000502496028 565000373 /nfs/dbraw/zinc/00/03/73/565000373.db2.gz SWEXUYDZXLYADP-UHFFFAOYSA-N 1 0 379.254 2.942 20 0 GFADRO COc1cc(Cl)c(S(=O)(=O)N2CC[C@@H]([NH+]3CCCC3)[C@H]2C)cc1OC ZINC000561552384 565001170 /nfs/dbraw/zinc/00/11/70/565001170.db2.gz OGIDRSKGWZKGET-TZMCWYRMSA-N 1 0 388.917 2.605 20 0 GFADRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1S(=O)(=O)c1ccc(F)cc1Br ZINC000561553389 565002183 /nfs/dbraw/zinc/00/21/83/565002183.db2.gz QWLPXLYKHCSFIE-BXUZGUMPSA-N 1 0 391.306 2.836 20 0 GFADRO O=C(C[NH2+][C@@H]1CCCC[C@H]1OC(F)F)Nc1ccc(Br)cn1 ZINC000502564058 565002054 /nfs/dbraw/zinc/00/20/54/565002054.db2.gz CJDYQUAVOAUXID-GHMZBOCLSA-N 1 0 378.217 2.923 20 0 GFADRO C[C@H]1C[N@H+](C)[C@@H](C)CN1C(=O)c1ccc(-n2cc(Br)cn2)cc1 ZINC000535073558 565004783 /nfs/dbraw/zinc/00/47/83/565004783.db2.gz UFGPIARCWULLTL-STQMWFEESA-N 1 0 377.286 2.799 20 0 GFADRO CS(=O)(=O)[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc(Cl)cc2F)CC1 ZINC000502791084 565005396 /nfs/dbraw/zinc/00/53/96/565005396.db2.gz OLHIQSRBDPPKQK-CYBMUJFWSA-N 1 0 376.881 2.707 20 0 GFADRO NC(=O)[C@@H]1CCCN1CCC[NH2+][C@H]1CCc2c1c(Br)ccc2F ZINC000535508918 565014710 /nfs/dbraw/zinc/01/47/10/565014710.db2.gz XONVGBXVXVWFKR-GJZGRUSLSA-N 1 0 384.293 2.505 20 0 GFADRO CS(=O)(=O)c1cccc(Cl)c1C[NH2+]CCCOCC1CCOCC1 ZINC000562024827 565015366 /nfs/dbraw/zinc/01/53/66/565015366.db2.gz MLRAKQILFKGOED-UHFFFAOYSA-N 1 0 375.918 2.666 20 0 GFADRO C[NH+](C)C[C@@H]1CCCN1S(=O)(=O)c1c(Cl)cc(F)cc1Br ZINC000503243525 565016360 /nfs/dbraw/zinc/01/63/60/565016360.db2.gz PJLGCHANICOFNC-JTQLQIEISA-N 1 0 399.713 2.956 20 0 GFADRO CCC[N@H+](CC)C[C@@H](C)NS(=O)(=O)c1cc(F)ccc1Br ZINC000562063030 565017236 /nfs/dbraw/zinc/01/72/36/565017236.db2.gz UESJCBZAXUSBPE-LLVKDONJSA-N 1 0 381.311 2.987 20 0 GFADRO C[N@H+](CCNC(=O)[C@H](c1ccc(Br)cc1)N1CCCC1)C1CC1 ZINC000503410104 565018635 /nfs/dbraw/zinc/01/86/35/565018635.db2.gz VXIYJDZMPBOCCY-KRWDZBQOSA-N 1 0 380.330 2.796 20 0 GFADRO C[N@H+](CCNC(=O)c1cc[nH]c(=O)c1Br)Cc1ccc(F)cc1 ZINC000469538881 565020204 /nfs/dbraw/zinc/02/02/04/565020204.db2.gz ZSGHUGZERNVWNB-UHFFFAOYSA-N 1 0 382.233 2.551 20 0 GFADRO O=S1(=O)CCO[C@H](C[NH2+]Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 ZINC000535785363 565021214 /nfs/dbraw/zinc/02/12/14/565021214.db2.gz SELBEICIJYAORM-GFCCVEGCSA-N 1 0 391.333 2.627 20 0 GFADRO FC(F)O[C@@H]1CCC[C@H]1[NH2+]Cc1nnnn1-c1ccccc1Br ZINC000503521480 565021551 /nfs/dbraw/zinc/02/15/51/565021551.db2.gz DMDBEUYTYDCJLF-ZYHUDNBSSA-N 1 0 388.216 2.675 20 0 GFADRO C[C@@H]1CC[N@H+](CCNC(=O)c2cn(-c3ccc(Br)cc3)cn2)C1 ZINC000535913335 565024618 /nfs/dbraw/zinc/02/46/18/565024618.db2.gz HPTNQKRSOOXOPC-CYBMUJFWSA-N 1 0 377.286 2.706 20 0 GFADRO C[C@@H]1CN(C(=O)c2cccc(Br)c2F)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000469728740 565025184 /nfs/dbraw/zinc/02/51/84/565025184.db2.gz MQBSDVVRTJIHOG-CZUORRHYSA-N 1 0 398.320 2.686 20 0 GFADRO CCNC(=O)NC(=O)[C@@H](C)[N@H+](C)C[C@@H](C)Oc1ccc(Cl)c(Cl)c1 ZINC000469746867 565026481 /nfs/dbraw/zinc/02/64/81/565026481.db2.gz ZRRARUBDFLQLEC-GHMZBOCLSA-N 1 0 376.284 2.927 20 0 GFADRO O=S1(=O)CCC(O)(C[N@H+](Cc2ccc(C(F)(F)F)cc2)C2CC2)CC1 ZINC000536036035 565027099 /nfs/dbraw/zinc/02/70/99/565027099.db2.gz NSDDJHHPRIPPQR-UHFFFAOYSA-N 1 0 377.428 2.610 20 0 GFADRO C[C@H](Cc1ccc(Br)cc1)[NH2+][C@@H]1CCC[C@@H]1CNS(C)(=O)=O ZINC000504560588 565041331 /nfs/dbraw/zinc/04/13/31/565041331.db2.gz ICNNZCMGCRWYCP-XNRPHZJLSA-N 1 0 389.359 2.688 20 0 GFADRO C[C@H](NC(=O)N[C@@H]1CCN(c2ccc(Br)cc2)C1)[C@@H]1CCC[NH2+]C1 ZINC000562800475 565043834 /nfs/dbraw/zinc/04/38/34/565043834.db2.gz PLAVCBRPJXKJQW-SQWLQELKSA-N 1 0 395.345 2.715 20 0 GFADRO CC(C)[N@H+](C)CC1CCN(S(=O)(=O)c2c[nH]c3nccc(Cl)c23)CC1 ZINC000536694388 565044855 /nfs/dbraw/zinc/04/48/55/565044855.db2.gz WNGCRUONYQASSI-UHFFFAOYSA-N 1 0 384.933 2.957 20 0 GFADRO COc1ccc(CC[NH2+]Cc2cc(Cl)ccc2Cl)cc1S(N)(=O)=O ZINC000536727626 565045720 /nfs/dbraw/zinc/04/57/20/565045720.db2.gz PETOLXOJODTDJH-UHFFFAOYSA-N 1 0 389.304 2.982 20 0 GFADRO Cc1cn2cc(NC(=O)NCc3cc(Br)cnc3N)ccc2n1 ZINC000562879659 565046079 /nfs/dbraw/zinc/04/60/79/565046079.db2.gz OJGQOJURSVXQHN-UHFFFAOYSA-N 1 0 375.230 2.704 20 0 GFADRO CS[C@H]1CN(C(=O)CSCC(=O)c2ccc(Cl)cc2)C[C@@H]1[NH+](C)C ZINC000536813233 565047566 /nfs/dbraw/zinc/04/75/66/565047566.db2.gz BDTMTFPXWBTRBN-HOCLYGCPSA-N 1 0 386.970 2.760 20 0 GFADRO COCC[C@H](Cc1cccc(Br)c1)C(=O)N1CC[C@H]([NH3+])C[C@H]1C ZINC000562971705 565049862 /nfs/dbraw/zinc/04/98/62/565049862.db2.gz UVDQPTMATPHRHQ-UNEWFSDZSA-N 1 0 383.330 2.983 20 0 GFADRO Cc1nc(CC[NH2+]CCS(=O)(=O)c2cccc(Br)c2)cs1 ZINC000562984615 565050725 /nfs/dbraw/zinc/05/07/25/565050725.db2.gz HLONEQAHRRKESX-UHFFFAOYSA-N 1 0 389.340 2.820 20 0 GFADRO C[C@H](CN(C)C(=O)[C@H]1C[N@@H+]2CCN1CCC2)Oc1ccc(Cl)c(Cl)c1 ZINC000470731092 565054119 /nfs/dbraw/zinc/05/41/19/565054119.db2.gz CACKCBQILIWBGB-CXAGYDPISA-N 1 0 386.323 2.609 20 0 GFADRO Cc1sc2nc(C)nc(SCC(=O)N3CC[C@@H]4C[NH2+]C[C@H]4C3)c2c1C ZINC000563089214 565055330 /nfs/dbraw/zinc/05/53/30/565055330.db2.gz ZORFPHUWJMYHSY-KGLIPLIRSA-N 1 0 376.551 2.777 20 0 GFADRO COC(=O)[C@H](c1cccc(Br)c1)N1C[C@H](SC)[C@@H]([NH+](C)C)C1 ZINC000537272387 565056233 /nfs/dbraw/zinc/05/62/33/565056233.db2.gz FHTJSNDXVHTEPO-KKUMJFAQSA-N 1 0 387.343 2.641 20 0 GFADRO C[NH2+]C[C@@H]1CCCN1S(=O)(=O)c1ccc2ccccc2c1Br ZINC000563121429 565056490 /nfs/dbraw/zinc/05/64/90/565056490.db2.gz ICZIBYBIQVLXDC-ZDUSSCGKSA-N 1 0 383.311 2.975 20 0 GFADRO COCc1nc2n(n1)C[C@H]([NH2+]Cc1c(Cl)cc(Cl)cc1N(C)C)CC2 ZINC000584380210 565078499 /nfs/dbraw/zinc/07/84/99/565078499.db2.gz QLURFMQWMKNPEW-GFCCVEGCSA-N 1 0 384.311 2.902 20 0 GFADRO C[NH2+]C[C@@H]1CCCN1S(=O)(=O)Cc1ccc(Cl)cc1Br ZINC000584412474 565078950 /nfs/dbraw/zinc/07/89/50/565078950.db2.gz YLXOCNKSOCAFRO-LBPRGKRZSA-N 1 0 381.723 2.616 20 0 GFADRO O=S(=O)(N[C@@H]1CC[N@@H+](C2CCCCC2)C1)c1ncccc1Br ZINC000657161271 565081040 /nfs/dbraw/zinc/08/10/40/565081040.db2.gz NIXKROIXMXQPEP-GFCCVEGCSA-N 1 0 388.331 2.529 20 0 GFADRO COc1cc(Cl)c(S(=O)(=O)N[C@H](C)C[NH+]2CCC(C)CC2)cc1OC ZINC000657180513 565084571 /nfs/dbraw/zinc/08/45/71/565084571.db2.gz RGTHASIRRHXWQB-CYBMUJFWSA-N 1 0 390.933 2.756 20 0 GFADRO CCN(CCC[NH+]1CCCC1)C(=O)c1cc(Br)cc2[nH]c(=O)[nH]c21 ZINC000613880736 565085484 /nfs/dbraw/zinc/08/54/84/565085484.db2.gz SGEVJBRYQRUTDZ-UHFFFAOYSA-N 1 0 395.301 2.979 20 0 GFADRO CCOc1ccc(Br)cc1S(=O)(=O)NC1(C[NH+](C)C)CCC1 ZINC000684922900 565089312 /nfs/dbraw/zinc/08/93/12/565089312.db2.gz OHSHGUANEABKTB-UHFFFAOYSA-N 1 0 391.331 2.610 20 0 GFADRO OCC[C@H](C[NH2+]C[C@@H](O)COc1cccc(Br)c1)c1ccccc1 ZINC000584598041 565089337 /nfs/dbraw/zinc/08/93/37/565089337.db2.gz CZTVDAJFCQQPDU-SJLPKXTDSA-N 1 0 394.309 2.945 20 0 GFADRO C[NH+](C)C[C@@]1(O)CCCN(C(=O)CCc2nc3cc(Cl)ccc3s2)C1 ZINC000614069427 565094455 /nfs/dbraw/zinc/09/44/55/565094455.db2.gz WUGAWVOFGPSDKL-SFHVURJKSA-N 1 0 381.929 2.797 20 0 GFADRO Cc1nc(-c2cccs2)c(CC(=O)N2CCC[C@](O)(C[NH+](C)C)C2)s1 ZINC000614070295 565094565 /nfs/dbraw/zinc/09/45/65/565094565.db2.gz KJAIKQVBYMHJIC-SFHVURJKSA-N 1 0 379.551 2.638 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S(=O)(=O)CC[NH2+]C(C(C)C)C(C)C ZINC000685038046 565095256 /nfs/dbraw/zinc/09/52/56/565095256.db2.gz PMHRWNKPHILVCX-UHFFFAOYSA-N 1 0 389.583 2.914 20 0 GFADRO Cc1cc(Br)cc(C[NH2+]C[C@H]2CCCNC2=O)c1OC(F)F ZINC000657284204 565096003 /nfs/dbraw/zinc/09/60/03/565096003.db2.gz RCVRGMIQJIIRIJ-SNVBAGLBSA-N 1 0 377.229 2.975 20 0 GFADRO CN(C)C(=O)[C@@H]1CC[C@H](C[NH2+]Cc2cc3cc(Br)ccc3o2)O1 ZINC000657426954 565099496 /nfs/dbraw/zinc/09/94/96/565099496.db2.gz MVCAHEFKYHUQNN-CJNGLKHVSA-N 1 0 381.270 2.921 20 0 GFADRO Cn1ncc(C2CC2)c1C[NH2+]C[C@@H](O)COc1ccccc1Br ZINC000657399091 565099998 /nfs/dbraw/zinc/09/99/98/565099998.db2.gz HGZXMFWERSBWDI-CYBMUJFWSA-N 1 0 380.286 2.590 20 0 GFADRO Brc1cnc(C2CC2)nc1N1CCC(C[NH+]2CCOCC2)CC1 ZINC000685267253 565101885 /nfs/dbraw/zinc/10/18/85/565101885.db2.gz IKPGRJBXYKXXGW-UHFFFAOYSA-N 1 0 381.318 2.665 20 0 GFADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)c1cc2c(Br)cccc2cn1 ZINC000584879303 565103294 /nfs/dbraw/zinc/10/32/94/565103294.db2.gz NPNVQPISCCTYMO-AWEZNQCLSA-N 1 0 392.297 2.838 20 0 GFADRO COc1ccc(Br)cc1C[C@H](CO)C[NH2+]Cc1cnn2c1CCC2 ZINC000657486082 565104226 /nfs/dbraw/zinc/10/42/26/565104226.db2.gz YLKQHCOKSDCZDO-ZDUSSCGKSA-N 1 0 394.313 2.541 20 0 GFADRO CC(C)(C[NH+]1CCOCC1)C(=O)N[C@@H]1[C@H]2Cc3c(cccc3Br)[C@@H]12 ZINC000636302044 565104841 /nfs/dbraw/zinc/10/48/41/565104841.db2.gz DLBIDWKJSFRHCS-USXIJHARSA-N 1 0 393.325 2.562 20 0 GFADRO COCC[N@@H+]1CCC[C@H](NC(=O)c2nc3ccccc3cc2Br)C1 ZINC000685432730 565106073 /nfs/dbraw/zinc/10/60/73/565106073.db2.gz PXUQJSFFVCVBKM-AWEZNQCLSA-N 1 0 392.297 2.838 20 0 GFADRO CO[C@@H](C[NH2+]Cc1c(Br)cncc1Br)[C@@H]1CCOC1 ZINC000657540603 565107028 /nfs/dbraw/zinc/10/70/28/565107028.db2.gz IRJCAUGFNIDGIO-RNCFNFMXSA-N 1 0 394.107 2.748 20 0 GFADRO CO[C@H](C[NH2+]Cc1cc(Br)c2c(c1)OCCCO2)[C@H]1CCOC1 ZINC000657544842 565107601 /nfs/dbraw/zinc/10/76/01/565107601.db2.gz QEWUUEZBPWJPFT-XJKSGUPXSA-N 1 0 386.286 2.752 20 0 GFADRO O=C(NCC[NH2+]C[C@H]1CCOc2ccccc21)c1ccc(Br)cn1 ZINC000657564365 565109244 /nfs/dbraw/zinc/10/92/44/565109244.db2.gz UPJYHZVDARNFEC-CYBMUJFWSA-N 1 0 390.281 2.730 20 0 GFADRO CN1c2ccccc2C[C@@H]([NH2+]Cc2cc3c(c(Br)c2)OCO3)C1=O ZINC000657574750 565109862 /nfs/dbraw/zinc/10/98/62/565109862.db2.gz MKUVQQAAGMVIPH-CQSZACIVSA-N 1 0 389.249 2.855 20 0 GFADRO COc1cc(C[NH2+][C@H](CO)[C@H]2CCC[C@H](OC)C2)cc(Br)c1O ZINC000657580335 565110410 /nfs/dbraw/zinc/11/04/10/565110410.db2.gz ZQWMIUCQYDHDLB-KCQAQPDRSA-N 1 0 388.302 2.819 20 0 GFADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)Nc1ccc(F)c(Br)c1F ZINC000657588583 565111283 /nfs/dbraw/zinc/11/12/83/565111283.db2.gz KWHHOBFVCOSIAD-VIFPVBQESA-N 1 0 392.244 2.512 20 0 GFADRO Cn1cc(CCNC(=O)N[C@@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)cn1 ZINC000636586262 565115964 /nfs/dbraw/zinc/11/59/64/565115964.db2.gz RUHLZGFCIYQZRW-INIZCTEOSA-N 1 0 384.311 2.872 20 0 GFADRO Cn1cc(CCNC(=O)N[C@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)cn1 ZINC000636586263 565116340 /nfs/dbraw/zinc/11/63/40/565116340.db2.gz RUHLZGFCIYQZRW-MRXNPFEDSA-N 1 0 384.311 2.872 20 0 GFADRO CC[C@@H](Cc1cccc(Br)c1)C(=O)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000614507152 565117027 /nfs/dbraw/zinc/11/70/27/565117027.db2.gz NFYMPIDDWOZRCI-WMZOPIPTSA-N 1 0 394.357 2.524 20 0 GFADRO O=S1(=O)CC(CC[NH2+]Cc2cc(C(F)(F)F)ccc2Br)C1 ZINC000685621213 565117150 /nfs/dbraw/zinc/11/71/50/565117150.db2.gz BDARZWRLVSRBLR-UHFFFAOYSA-N 1 0 386.233 2.992 20 0 GFADRO C[C@@H]([NH2+]CCC(=O)Nc1ccc(Br)cc1)C(C)(C)n1cncn1 ZINC000685646519 565117467 /nfs/dbraw/zinc/11/74/67/565117467.db2.gz QLZKNMSOQQTLHD-GFCCVEGCSA-N 1 0 380.290 2.783 20 0 GFADRO OCc1cn(CCC[NH2+][C@@H]2CCc3c2cc(Cl)cc3Br)nn1 ZINC000685657632 565119044 /nfs/dbraw/zinc/11/90/44/565119044.db2.gz LVKDYBHDLBCTMN-OAHLLOKOSA-N 1 0 385.693 2.854 20 0 GFADRO C[C@H](NC(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)[C@H](O)C(F)(F)F ZINC000636679176 565121003 /nfs/dbraw/zinc/12/10/03/565121003.db2.gz RIFMHIFFBCISEL-OBJOEFQTSA-N 1 0 379.448 2.571 20 0 GFADRO CC(C)(C[NH2+]Cc1cn2ccc(Br)cc2n1)[C@@]1(O)CCCOC1 ZINC000657764603 565127328 /nfs/dbraw/zinc/12/73/28/565127328.db2.gz GEQREDVCPDXVNP-QGZVFWFLSA-N 1 0 382.302 2.754 20 0 GFADRO COc1ccc(C2([NH2+]Cc3ccc(S(C)(=O)=O)s3)CCOCC2)cc1 ZINC000657813012 565130585 /nfs/dbraw/zinc/13/05/85/565130585.db2.gz YWIWGMIOAZFFEQ-UHFFFAOYSA-N 1 0 381.519 2.956 20 0 GFADRO CC(C)[C@H](Cc1ccc(Br)cc1)[NH2+]CC1(C(N)=O)CCOCC1 ZINC000657833987 565132595 /nfs/dbraw/zinc/13/25/95/565132595.db2.gz NTGXBUQHJIHGPD-INIZCTEOSA-N 1 0 383.330 2.888 20 0 GFADRO O=S(=O)(NC[C@@H]1CCCO1)c1ccc(C[NH2+][C@@H]2CCCSCC2)cc1 ZINC000657856027 565133911 /nfs/dbraw/zinc/13/39/11/565133911.db2.gz JQPROBUJCOMSIJ-SJORKVTESA-N 1 0 384.567 2.519 20 0 GFADRO C[C@@H]([NH2+][C@H]1CCN(c2ccccc2C(N)=O)C1)c1cncc(Br)c1 ZINC000657880303 565134701 /nfs/dbraw/zinc/13/47/01/565134701.db2.gz WATLBCKFIPLVGE-DOMZBBRYSA-N 1 0 389.297 2.873 20 0 GFADRO C[C@H](Cc1ccc(Cl)c(C(F)(F)F)c1)[NH2+]CC1(O)CCS(=O)(=O)CC1 ZINC000657891569 565136065 /nfs/dbraw/zinc/13/60/65/565136065.db2.gz VBUKLMKOUMUFNV-LLVKDONJSA-N 1 0 399.862 2.819 20 0 GFADRO O=S(=O)(c1ccc(CC[NH2+][C@@H]2COC3(CCC3)C2)s1)N1CCCCC1 ZINC000657893108 565136385 /nfs/dbraw/zinc/13/63/85/565136385.db2.gz PLGAFQFOAGAJFX-HNNXBMFYSA-N 1 0 384.567 2.766 20 0 GFADRO C[NH+](C)CCOc1cc(NC(=O)c2c(F)cncc2Br)ccn1 ZINC000637058784 565137229 /nfs/dbraw/zinc/13/72/29/565137229.db2.gz NTMOQWGAZDFFLC-UHFFFAOYSA-N 1 0 383.221 2.571 20 0 GFADRO CC[C@@H](Cc1ccc(Br)cc1)[NH2+]CCCN1CCCS1(=O)=O ZINC000657913139 565137441 /nfs/dbraw/zinc/13/74/41/565137441.db2.gz GRZABSFTVTVZKO-INIZCTEOSA-N 1 0 389.359 2.785 20 0 GFADRO CN(C)CC[N@H+](C)CCCNC(=O)Cc1c(Cl)cccc1Br ZINC000614938031 565138681 /nfs/dbraw/zinc/13/86/81/565138681.db2.gz SWIIRZIUXCMAQJ-UHFFFAOYSA-N 1 0 390.753 2.645 20 0 GFADRO CCn1ncnc1CNC(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000637113565 565139427 /nfs/dbraw/zinc/13/94/27/565139427.db2.gz YEYKSRASCUHRMZ-CQSZACIVSA-N 1 0 385.299 2.707 20 0 GFADRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)C(=O)Nc1cccc(Br)c1F ZINC000657953517 565139729 /nfs/dbraw/zinc/13/97/29/565139729.db2.gz PHQXOWINMJJRSY-BXUZGUMPSA-N 1 0 398.276 2.612 20 0 GFADRO CSc1cc(Cl)ccc1NC(=O)C(=O)N1CC[N@@H+](C2CC2)C[C@H](C)C1 ZINC000657979365 565141776 /nfs/dbraw/zinc/14/17/76/565141776.db2.gz PJXHCISUAUQYEU-LBPRGKRZSA-N 1 0 381.929 2.943 20 0 GFADRO C[C@@H](C1CC1)[N@H+](C)CCC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1Cl ZINC000637189109 565143615 /nfs/dbraw/zinc/14/36/15/565143615.db2.gz HIOIDGFIGDQPRZ-LBPRGKRZSA-N 1 0 387.933 2.649 20 0 GFADRO CC[NH+](CC)CCN(C(=O)COCC(F)F)c1ccc(Br)cn1 ZINC000637212430 565144780 /nfs/dbraw/zinc/14/47/80/565144780.db2.gz YTNZUNUXSNTVIR-UHFFFAOYSA-N 1 0 394.260 2.801 20 0 GFADRO CC(C)[C@H]([NH2+][C@@H]1CCN(S(C)(=O)=O)C1)c1cc(F)cc(Br)c1 ZINC000658048206 565147651 /nfs/dbraw/zinc/14/76/51/565147651.db2.gz WNNMXDYPYHXRCB-CABCVRRESA-N 1 0 393.322 2.909 20 0 GFADRO CC(C)[C@@H]([NH2+]CCNC(=O)c1ccc(Br)cn1)c1cccnc1 ZINC000658091130 565149219 /nfs/dbraw/zinc/14/92/19/565149219.db2.gz AMXMCDKHQVSQBB-MRXNPFEDSA-N 1 0 377.286 2.956 20 0 GFADRO O=C(NCC[NH2+][C@@H]1CCCc2cccnc21)c1ccc(Br)cn1 ZINC000658096071 565150072 /nfs/dbraw/zinc/15/00/72/565150072.db2.gz NMFVCFHEFTYCEQ-CQSZACIVSA-N 1 0 375.270 2.636 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)C(=O)Nc1nc(-c2cccs2)cs1 ZINC000658127809 565151473 /nfs/dbraw/zinc/15/14/73/565151473.db2.gz XDPHWXFVXHYXCS-NSHDSACASA-N 1 0 378.523 2.799 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)C(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C ZINC000658123352 565151714 /nfs/dbraw/zinc/15/17/14/565151714.db2.gz ZHNHIOROHLDIMJ-CYBMUJFWSA-N 1 0 382.302 2.685 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000658125029 565151961 /nfs/dbraw/zinc/15/19/61/565151961.db2.gz SGPBAUVULBMWDW-AWEZNQCLSA-N 1 0 396.329 2.993 20 0 GFADRO C[C@H](C(=O)Nc1cccc(Br)c1)[N@@H+]1CCC[C@H](CCC(N)=O)C1 ZINC000589153549 565153080 /nfs/dbraw/zinc/15/30/80/565153080.db2.gz FIUHIISHCCYPQA-CHWSQXEVSA-N 1 0 382.302 2.754 20 0 GFADRO CC[C@@H]([NH2+]CCO[C@@H]1CC1(F)F)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000658169549 565154024 /nfs/dbraw/zinc/15/40/24/565154024.db2.gz GRKZYVCVWNURHF-TZMCWYRMSA-N 1 0 382.860 2.713 20 0 GFADRO C[N@@H+]1CCC[C@@H]1[C@H]1COCCN1C(=O)[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000615277724 565155472 /nfs/dbraw/zinc/15/54/72/565155472.db2.gz XUKPQDNRALFLJM-BSDSXHPESA-N 1 0 393.325 2.874 20 0 GFADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@H]1CCC[C@H]1Cc1cnn(C)c1 ZINC000658233363 565155725 /nfs/dbraw/zinc/15/57/25/565155725.db2.gz KMMUMSFIIGLGKZ-KMFMINBZSA-N 1 0 393.329 2.734 20 0 GFADRO CN(C[C@@H]1COCCO1)C(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000637472672 565158288 /nfs/dbraw/zinc/15/82/88/565158288.db2.gz GXPCZAIHCBNORO-CJNGLKHVSA-N 1 0 390.311 2.653 20 0 GFADRO C[C@@H]([NH2+]CC1(O)CCC(F)(F)CC1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000658324051 565160150 /nfs/dbraw/zinc/16/01/50/565160150.db2.gz YVLCALSUZJKUML-CYBMUJFWSA-N 1 0 376.469 2.528 20 0 GFADRO CCN(C(=O)C(=O)Nc1cc(Br)c(C)cc1C)[C@H]1CC[N@H+](C)C1 ZINC000658360988 565161638 /nfs/dbraw/zinc/16/16/38/565161638.db2.gz KKXWDJGJMDWUHQ-ZDUSSCGKSA-N 1 0 382.302 2.557 20 0 GFADRO CCN(C(=O)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[C@H]1CC[N@H+](C)C1 ZINC000658358067 565161804 /nfs/dbraw/zinc/16/18/04/565161804.db2.gz XZIXYNNRQMYNDE-NSHDSACASA-N 1 0 377.794 2.850 20 0 GFADRO C[NH+](C)CC1CN(C(=O)c2coc(-c3ccc(Br)cc3F)n2)C1 ZINC000615506123 565162697 /nfs/dbraw/zinc/16/26/97/565162697.db2.gz VGAOPLAEPMZAHG-UHFFFAOYSA-N 1 0 382.233 2.877 20 0 GFADRO CN(CCC[NH3+])S(=O)(=O)c1cc(Cl)c(Cl)cc1Br ZINC000658369384 565163062 /nfs/dbraw/zinc/16/30/62/565163062.db2.gz FCLKRCSRYCSWIM-UHFFFAOYSA-N 1 0 376.103 2.725 20 0 GFADRO O=C(N[C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000637598625 565163247 /nfs/dbraw/zinc/16/32/47/565163247.db2.gz BANGESMBJZXQFG-LGRHPFTQSA-N 1 0 388.309 2.743 20 0 GFADRO [NH3+][C@@H]1CCO[C@@H](C2CCN(S(=O)(=O)Cc3cc(F)ccc3Cl)CC2)C1 ZINC000658382459 565166078 /nfs/dbraw/zinc/16/60/78/565166078.db2.gz KNQHFJNJXKBNGX-NVXWUHKLSA-N 1 0 390.908 2.527 20 0 GFADRO CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2NS(=O)(=O)c2ccc(C)s2)cc1 ZINC000658391790 565167127 /nfs/dbraw/zinc/16/71/27/565167127.db2.gz DBUWGFLKZBQBRL-IRXDYDNUSA-N 1 0 380.535 2.879 20 0 GFADRO CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N(C)Cc2c(Cl)cccc2Cl)C1 ZINC000658459966 565171331 /nfs/dbraw/zinc/17/13/31/565171331.db2.gz GOXFHFAUXIMJEX-ZDUSSCGKSA-N 1 0 386.323 2.941 20 0 GFADRO C[C@@H](CNC(=O)[C@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1)[N@H+](C)C1CC1 ZINC000589965213 565174996 /nfs/dbraw/zinc/17/49/96/565174996.db2.gz CHHPGQAFFUNHFC-RYUDHWBXSA-N 1 0 384.307 2.945 20 0 GFADRO Cc1sc(NC(=O)[C@@H]2OCC[C@@H]2[NH3+])nc1-c1ccc(Br)cc1 ZINC000637879100 565175142 /nfs/dbraw/zinc/17/51/42/565175142.db2.gz RUIPTCSCVUFOAE-WCQYABFASA-N 1 0 382.283 2.936 20 0 GFADRO CN(Cc1ccc(Cl)s1)C(=O)c1nnn([C@@H]2CC[NH2+]C2)c1C(F)F ZINC000637889821 565175428 /nfs/dbraw/zinc/17/54/28/565175428.db2.gz SCQSTLBUEYIZKV-MRVPVSSYSA-N 1 0 375.832 2.737 20 0 GFADRO CNC(=O)CC[NH+]1CCN(c2ccc(Br)cc2C(F)(F)F)CC1 ZINC000590060027 565176548 /nfs/dbraw/zinc/17/65/48/565176548.db2.gz KBDOHDUKGWLKDO-UHFFFAOYSA-N 1 0 394.235 2.726 20 0 GFADRO [NH3+]C[C@]1(C(=O)NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)CCCOC1 ZINC000637929195 565177263 /nfs/dbraw/zinc/17/72/63/565177263.db2.gz VYWCCQQZZRYZBI-OUJBWJOFSA-N 1 0 376.341 2.768 20 0 GFADRO Cc1noc([C@H]2CCC[N@H+](Cc3cnn4cc(Br)cnc34)C2)n1 ZINC000637941299 565177652 /nfs/dbraw/zinc/17/76/52/565177652.db2.gz GDVLERBZOKBMQN-NSHDSACASA-N 1 0 377.246 2.563 20 0 GFADRO C[N@H+](Cc1ccc(S(N)(=O)=O)c(Br)c1)C1Cc2ccccc2C1 ZINC000637967452 565179230 /nfs/dbraw/zinc/17/92/30/565179230.db2.gz RLJAIAQYBIWGJH-UHFFFAOYSA-N 1 0 395.322 2.696 20 0 GFADRO CO[C@@H](C[N@H+](CCO)Cc1cc(Br)ccc1F)C1CCOCC1 ZINC000637994211 565180505 /nfs/dbraw/zinc/18/05/05/565180505.db2.gz RIHZRVACYAMYKO-KRWDZBQOSA-N 1 0 390.293 2.824 20 0 GFADRO Cc1sc([C@H](C)NC(=O)CN2CC[NH2+]CC2)nc1-c1ccc(Cl)cc1 ZINC000638035942 565181204 /nfs/dbraw/zinc/18/12/04/565181204.db2.gz VYPSESXYPWSLRB-LBPRGKRZSA-N 1 0 378.929 2.854 20 0 GFADRO OCCC[N@H+](Cc1cnn2cc(Br)cnc12)Cc1ccccc1 ZINC000638033055 565182294 /nfs/dbraw/zinc/18/22/94/565182294.db2.gz YETYJQGPIRCTEC-UHFFFAOYSA-N 1 0 375.270 2.876 20 0 GFADRO NS(=O)(=O)c1ccc(C[N@@H+]2CC[C@@H](c3ccco3)C2)cc1Br ZINC000638071061 565183835 /nfs/dbraw/zinc/18/38/35/565183835.db2.gz ZFKYIJQQLCYSCG-GFCCVEGCSA-N 1 0 385.283 2.679 20 0 GFADRO C[NH+]1CCC2(CCN(C(=O)Cc3cccc(I)c3)C2)CC1 ZINC000590376079 565185444 /nfs/dbraw/zinc/18/54/44/565185444.db2.gz ULEBRBWPELLDGK-UHFFFAOYSA-N 1 0 398.288 2.778 20 0 GFADRO Cc1csc(C(=O)N2CC[C@@H]([NH+](C)C)[C@@H]2C)c1I ZINC000590403687 565188162 /nfs/dbraw/zinc/18/81/62/565188162.db2.gz MLPWWUMUGFOIKA-VHSXEESVSA-N 1 0 378.279 2.826 20 0 GFADRO O=C(c1cc(Br)cc2nc[nH]c21)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000638260826 565189964 /nfs/dbraw/zinc/18/99/64/565189964.db2.gz BAUYFZHEAYFKKV-NEPJUHHUSA-N 1 0 377.286 2.787 20 0 GFADRO COCCOc1c(Cl)cc(NC(=O)[C@@]2(C)C[C@@H](OC)C[NH2+]2)cc1Cl ZINC000638304779 565191179 /nfs/dbraw/zinc/19/11/79/565191179.db2.gz UJQWIXQRGRPJRO-BDJLRTHQSA-N 1 0 377.268 2.724 20 0 GFADRO Cc1cc(C[NH3+])oc1C(=O)N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000638298667 565191199 /nfs/dbraw/zinc/19/11/99/565191199.db2.gz DCZVHAHOQRDWEN-AWEZNQCLSA-N 1 0 382.247 2.889 20 0 GFADRO O=C(c1ccc2cncc(Br)c2n1)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000638330705 565192346 /nfs/dbraw/zinc/19/23/46/565192346.db2.gz SNTMFKGRVQWXOR-LRDDRELGSA-N 1 0 389.297 2.997 20 0 GFADRO CN1CC[C@H]([NH2+][C@@H]2CCCCNC2=O)C[C@H]1c1ccc(Br)cc1 ZINC000638352312 565192725 /nfs/dbraw/zinc/19/27/25/565192725.db2.gz OJLCDDHVIQFYDV-BBWFWOEESA-N 1 0 380.330 2.843 20 0 GFADRO Cc1cccc(CC(=O)NC2CCC(N3CC[NH2+]CC3)CC2)c1Br ZINC000638334302 565192826 /nfs/dbraw/zinc/19/28/26/565192826.db2.gz ATNRJDUKHFTPIW-UHFFFAOYSA-N 1 0 394.357 2.633 20 0 GFADRO C[N@H+](CCCCNC(=O)c1cc(Br)cc2c1OCCO2)C1CC1 ZINC000616186675 565193540 /nfs/dbraw/zinc/19/35/40/565193540.db2.gz ZKDCOFMSDXECCN-UHFFFAOYSA-N 1 0 383.286 2.825 20 0 GFADRO [NH3+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1[C@@H]3c4cccc(Br)c4C[C@H]13)C2 ZINC000638383675 565193639 /nfs/dbraw/zinc/19/36/39/565193639.db2.gz IXNLFGHORIVQPC-NRXSHMSUSA-N 1 0 375.310 2.922 20 0 GFADRO C[N@@H+]1CCC[C@@H](CCNC(=O)c2cc(Br)cc3c2OCCO3)C1 ZINC000616234557 565194702 /nfs/dbraw/zinc/19/47/02/565194702.db2.gz XQLPRRNETKZOIE-LBPRGKRZSA-N 1 0 383.286 2.682 20 0 GFADRO C[C@H](C[C@H]1CCCC(=O)N1)[NH2+]C[C@@H](O)COc1cccc(Cl)c1Cl ZINC000638424499 565194628 /nfs/dbraw/zinc/19/46/28/565194628.db2.gz AOXBWCKZRDPMQI-JHJVBQTASA-N 1 0 375.296 2.770 20 0 GFADRO C[C@H](C[C@@H]1CCCC(=O)N1)[NH2+]C[C@@H](O)COc1cccc(Cl)c1Cl ZINC000638424498 565195677 /nfs/dbraw/zinc/19/56/77/565195677.db2.gz AOXBWCKZRDPMQI-FRRDWIJNSA-N 1 0 375.296 2.770 20 0 GFADRO COCC1(C(=O)NCC/C=C/c2ccc(Br)cc2)CC[NH2+]CC1 ZINC000638462569 565197109 /nfs/dbraw/zinc/19/71/09/565197109.db2.gz ORMJNCATWDXQKL-DUXPYHPUSA-N 1 0 381.314 2.985 20 0 GFADRO COc1cc(C[NH2+]CCCNC(=O)c2ccc(Br)cc2)sn1 ZINC000638488339 565198060 /nfs/dbraw/zinc/19/80/60/565198060.db2.gz GGSNSXMMDHJAEL-UHFFFAOYSA-N 1 0 384.299 2.824 20 0 GFADRO [NH3+]C1(CNC(=O)Nc2cc(Br)ccc2N2CCOCC2)CCCC1 ZINC000658985534 565198297 /nfs/dbraw/zinc/19/82/97/565198297.db2.gz JMXKXMBEYFAULD-UHFFFAOYSA-N 1 0 397.317 2.679 20 0 GFADRO CCOc1c(Br)cc(C(=O)N[C@@H]2CC[NH2+]C23CCC3)cc1OC ZINC000638500461 565198932 /nfs/dbraw/zinc/19/89/32/565198932.db2.gz QYBVTSGAZMPXMV-CQSZACIVSA-N 1 0 383.286 2.871 20 0 GFADRO C[NH2+]C[C@@H](C)NC(=O)Nc1cc(OC)c(Br)cc1Br ZINC000659012388 565199716 /nfs/dbraw/zinc/19/97/16/565199716.db2.gz VIKYUILBJFIGHR-SSDOTTSWSA-N 1 0 395.095 2.950 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)c2[nH]nc(C3CC3)c2Br)CC[C@@H]1C(F)(F)F ZINC000638546597 565201394 /nfs/dbraw/zinc/20/13/94/565201394.db2.gz CFBVHPIKNPHQIZ-BDAKNGLRSA-N 1 0 395.223 2.649 20 0 GFADRO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)Nc1cc(Br)c(F)cc1Cl ZINC000659107233 565201467 /nfs/dbraw/zinc/20/14/67/565201467.db2.gz QYNTZUKTCYKYEQ-LLVKDONJSA-N 1 0 394.672 2.670 20 0 GFADRO Cc1cc(Br)c(Cl)cc1NC(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000659087437 565201659 /nfs/dbraw/zinc/20/16/59/565201659.db2.gz RPVMMBPYQJDPTC-UWVGGRQHSA-N 1 0 388.693 2.593 20 0 GFADRO Cc1cc(Br)c(Cl)cc1NC(=O)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000659085742 565201752 /nfs/dbraw/zinc/20/17/52/565201752.db2.gz NJEFOFXVXJRSGP-ZJUUUORDSA-N 1 0 388.693 2.736 20 0 GFADRO O=C(Nc1ccc(Br)cc1)C(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000659091510 565201947 /nfs/dbraw/zinc/20/19/47/565201947.db2.gz OKHZBIXAAOYTFK-AWEZNQCLSA-N 1 0 394.313 2.626 20 0 GFADRO Cc1nc([C@@H]2CCOC2)sc1C(=O)N1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000638560503 565202598 /nfs/dbraw/zinc/20/25/98/565202598.db2.gz DYAYRTZRMKYLNP-WOPDTQHZSA-N 1 0 377.432 2.555 20 0 GFADRO O=C(COC1CC[NH2+]CC1)N1CC2(CCC2)c2cc(Br)ccc21 ZINC000638597735 565204172 /nfs/dbraw/zinc/20/41/72/565204172.db2.gz JLACZHFWKLHFEU-UHFFFAOYSA-N 1 0 379.298 2.986 20 0 GFADRO C[NH2+]CCOCCN(C)C(=O)c1cc(C)nc2cc(Br)ccc21 ZINC000638591115 565204665 /nfs/dbraw/zinc/20/46/65/565204665.db2.gz DCVWEVUIUZMRTJ-UHFFFAOYSA-N 1 0 380.286 2.614 20 0 GFADRO Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)N(C)CCOCC[NH3+] ZINC000638676536 565206793 /nfs/dbraw/zinc/20/67/93/565206793.db2.gz YDAOVVJLAHUQGP-UHFFFAOYSA-N 1 0 383.901 2.731 20 0 GFADRO CN(CCOCC[NH3+])C(=O)c1cc2sc(Nc3ccccc3)nc2s1 ZINC000638676561 565206929 /nfs/dbraw/zinc/20/69/29/565206929.db2.gz ZCCLBVJBVJSGFD-UHFFFAOYSA-N 1 0 376.507 3.149 20 0 GFADRO CC(C)(C)NS(=O)(=O)C1(C[NH2+]CCc2nc(C(F)(F)F)cs2)CC1 ZINC000638696500 565207900 /nfs/dbraw/zinc/20/79/00/565207900.db2.gz YOMMBOWYQMTSBV-UHFFFAOYSA-N 1 0 385.477 2.545 20 0 GFADRO Cc1nn(C)c(C)c1C[C@H](C)[NH2+]Cc1cnn2cc(Br)cnc12 ZINC000638696449 565208365 /nfs/dbraw/zinc/20/83/65/565208365.db2.gz CDUQTUQLIRNOJE-JTQLQIEISA-N 1 0 377.290 2.563 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)C1([NH3+])CC2(CCC2)C1 ZINC000659265036 565209083 /nfs/dbraw/zinc/20/90/83/565209083.db2.gz BJGYPTGQPIEGAM-UHFFFAOYSA-N 1 0 394.313 2.864 20 0 GFADRO CC(C)OC[C@H]([NH3+])C(=O)N1CCC[C@@H]1C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000659251031 565209376 /nfs/dbraw/zinc/20/93/76/565209376.db2.gz CSXIYGIDOWIREL-LSDHHAIUSA-N 1 0 388.295 2.675 20 0 GFADRO O=C1C[C@@H]([NH2+]C2CCN(Cc3ccc(Br)cc3)CC2)CCCN1 ZINC000638747607 565209597 /nfs/dbraw/zinc/20/95/97/565209597.db2.gz DDUISKIGHOFIEU-KRWDZBQOSA-N 1 0 380.330 2.672 20 0 GFADRO CN1CC[C@H]([NH2+]Cc2ccc(S(N)(=O)=O)cc2)[C@H]1c1ccc(Cl)cc1 ZINC000638803017 565211761 /nfs/dbraw/zinc/21/17/61/565211761.db2.gz YTTSDXFYJBNERO-ZWKOTPCHSA-N 1 0 379.913 2.522 20 0 GFADRO CN(C[C@@H](O)COc1cc(Cl)cc(Cl)c1)C(=O)[C@H]1CC12CC[NH2+]CC2 ZINC000638828062 565212969 /nfs/dbraw/zinc/21/29/69/565212969.db2.gz QEJVHIQHLDXGCW-GDBMZVCRSA-N 1 0 387.307 2.581 20 0 GFADRO [NH3+][C@H]1CCCCCN(C(=O)c2ncc(Br)cc2Br)C1 ZINC000638833754 565214086 /nfs/dbraw/zinc/21/40/86/565214086.db2.gz CBPYERKTFFJPCO-JTQLQIEISA-N 1 0 391.107 2.950 20 0 GFADRO O=C(N[C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000638833029 565214198 /nfs/dbraw/zinc/21/41/98/565214198.db2.gz UMRLZOISGCUPPT-CQROYNQRSA-N 1 0 389.215 2.745 20 0 GFADRO CC(C)OC[C@H]([NH3+])C(=O)N1CC2(CCOCC2)c2ccc(Br)cc21 ZINC000638842670 565214345 /nfs/dbraw/zinc/21/43/45/565214345.db2.gz XZDQKAPXBYZJPD-HNNXBMFYSA-N 1 0 397.313 2.596 20 0 GFADRO O=C(N[C@H]1C[NH2+]CC[C@H]1c1cccc(F)c1)c1ccc(Br)cn1 ZINC000659351054 565214416 /nfs/dbraw/zinc/21/44/16/565214416.db2.gz XWQFMKUAWKDFTE-HOCLYGCPSA-N 1 0 378.245 2.859 20 0 GFADRO CC[C@@]1([NH2+]CC(=O)Nc2ccc(I)cc2C)CCOC1 ZINC000616865560 565214936 /nfs/dbraw/zinc/21/49/36/565214936.db2.gz VRAKLBMNMOITQC-OAHLLOKOSA-N 1 0 388.249 2.697 20 0 GFADRO CCn1c(CNC(=O)NCC2([NH3+])CCCC2)nc2cc(Br)ccc21 ZINC000659485814 565217759 /nfs/dbraw/zinc/21/77/59/565217759.db2.gz ZFDUJJXDMDPMNZ-UHFFFAOYSA-N 1 0 394.317 2.889 20 0 GFADRO C[C@@H]1C[C@H]([NH3+])CN1C(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000638940546 565218031 /nfs/dbraw/zinc/21/80/31/565218031.db2.gz SHYLTXQJPIVQFO-BNOWGMLFSA-N 1 0 384.307 2.794 20 0 GFADRO CCCOC[C@H](Cc1cccc(Br)c1)NC(=O)N[C@@H](C)C[NH2+]C ZINC000659482244 565218111 /nfs/dbraw/zinc/21/81/11/565218111.db2.gz LMEHJUTVWJKXDZ-BBRMVZONSA-N 1 0 386.334 2.694 20 0 GFADRO O=C(NCC1=CC[NH2+]CC1)NCC1(Cc2ccc(Br)cc2)CC1 ZINC000659531857 565219150 /nfs/dbraw/zinc/21/91/50/565219150.db2.gz DVIUBAJKYLCWRX-UHFFFAOYSA-N 1 0 378.314 2.991 20 0 GFADRO O=C(NC[C@@H]1CCC[NH2+]C1)N1CCOC[C@@H]1c1ccc(Br)cc1 ZINC000659509161 565219420 /nfs/dbraw/zinc/21/94/20/565219420.db2.gz DWBUMPRHSPACRW-CZUORRHYSA-N 1 0 382.302 2.532 20 0 GFADRO Cn1nc2cc(Br)ccc2c1C(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C ZINC000617005229 565219687 /nfs/dbraw/zinc/21/96/87/565219687.db2.gz DUHBPOOTTBYZKP-GFCCVEGCSA-N 1 0 379.302 2.938 20 0 GFADRO [NH3+][C@@H](C(=O)NCc1ccnc(N2CCSCC2)c1)c1cccc(Cl)c1 ZINC000638991004 565220364 /nfs/dbraw/zinc/22/03/64/565220364.db2.gz SUFXURKDRWILFG-QGZVFWFLSA-N 1 0 376.913 2.604 20 0 GFADRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)COc1ccc(Cl)c(Cl)c1 ZINC000591286249 565220838 /nfs/dbraw/zinc/22/08/38/565220838.db2.gz YUZYWBYCZOPOEQ-CQSZACIVSA-N 1 0 375.296 2.941 20 0 GFADRO O=C([C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21)N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000639025165 565220864 /nfs/dbraw/zinc/22/08/64/565220864.db2.gz YRMJSSJTWKMXLY-XKLXXKPTSA-N 1 0 375.310 2.935 20 0 GFADRO [NH3+]C[C@@H]1Cc2ccccc2N(C(=O)c2n[nH]c(C3CC3)c2Br)C1 ZINC000639023978 565220968 /nfs/dbraw/zinc/22/09/68/565220968.db2.gz MXYYSFAWRZFLKD-JTQLQIEISA-N 1 0 375.270 2.827 20 0 GFADRO COc1ccc(I)c(NC(=O)NC[C@H]2CCCC[NH2+]2)c1 ZINC000591282919 565221135 /nfs/dbraw/zinc/22/11/35/565221135.db2.gz ZXMFYYDOWRHNQV-SNVBAGLBSA-N 1 0 389.237 2.563 20 0 GFADRO O=C(NCc1ccc(Cl)c(Cl)c1)C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000659735871 565222184 /nfs/dbraw/zinc/22/21/84/565222184.db2.gz KHXRNNLEIQZYDO-UHFFFAOYSA-N 1 0 384.307 2.600 20 0 GFADRO Cc1ccc(I)cc1NC(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000591299820 565222855 /nfs/dbraw/zinc/22/28/55/565222855.db2.gz ZMXWVZWNIBKQSF-FZMZJTMJSA-N 1 0 385.249 2.815 20 0 GFADRO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)Nc1cc(I)ccc1C ZINC000591299562 565222894 /nfs/dbraw/zinc/22/28/94/565222894.db2.gz LFJJKVXJUICBFB-JQWIXIFHSA-N 1 0 391.228 2.763 20 0 GFADRO COC(=O)c1c(Br)ccc(NC(=O)NC[C@H]2CCCC[NH2+]2)c1C ZINC000591301981 565222949 /nfs/dbraw/zinc/22/29/49/565222949.db2.gz BSWLZTJMJLRVAM-LLVKDONJSA-N 1 0 384.274 2.808 20 0 GFADRO CCOC(=O)c1cc(Br)ccc1NC(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000591292851 565223087 /nfs/dbraw/zinc/22/30/87/565223087.db2.gz HWHRQLYUOFMQJP-GFCCVEGCSA-N 1 0 384.274 2.889 20 0 GFADRO COCCN(CC[NH+](C)C)C(=O)CCc1ccc(Br)cc1F ZINC000591302830 565223094 /nfs/dbraw/zinc/22/30/94/565223094.db2.gz NQFKPXNZEHNUPL-UHFFFAOYSA-N 1 0 375.282 2.557 20 0 GFADRO CO[C@H](C[NH2+]C[C@@H](CO)Cc1cccc(Br)c1)C1CCOCC1 ZINC000639105824 565225700 /nfs/dbraw/zinc/22/57/00/565225700.db2.gz RUTZJOBNJFOSPP-MAUKXSAKSA-N 1 0 386.330 2.631 20 0 GFADRO CNC(=O)[C@@H]([NH2+][C@@H]1CCN(C)[C@@H](c2ccc(Br)cc2)C1)C(C)C ZINC000639112189 565226183 /nfs/dbraw/zinc/22/61/83/565226183.db2.gz OHLTXGBSJHGZRO-ZACQAIPSSA-N 1 0 382.346 2.945 20 0 GFADRO CC(C)[N@@H+]1CCCN(CC(=O)c2c[nH]c3ncc(Br)cc23)CC1 ZINC000659873067 565227942 /nfs/dbraw/zinc/22/79/42/565227942.db2.gz JRMMTRRLGXKCCA-UHFFFAOYSA-N 1 0 379.302 2.924 20 0 GFADRO CN1CC[C@H]([NH2+]CCN2CCCOCC2)C[C@H]1c1ccc(Br)cc1 ZINC000639175189 565230582 /nfs/dbraw/zinc/23/05/82/565230582.db2.gz ILSFCWOQFKFIMR-OALUTQOASA-N 1 0 396.373 2.896 20 0 GFADRO COCCOC1(C[NH2+]Cc2nc3cc(Br)ccc3o2)CCOCC1 ZINC000639218002 565233355 /nfs/dbraw/zinc/23/33/55/565233355.db2.gz BATULASUJZRYAW-UHFFFAOYSA-N 1 0 399.285 2.892 20 0 GFADRO COc1nsc(C[NH2+][C@H]2CCO[C@@H](c3ccnn3C)C2)c1Br ZINC000639243382 565235035 /nfs/dbraw/zinc/23/50/35/565235035.db2.gz GAZGOGBTEUSSIU-GXSJLCMTSA-N 1 0 387.303 2.658 20 0 GFADRO Cn1ccnc1[C@@H](Nc1cc(N2CCOCC2)c(Br)c[nH+]1)C1CC1 ZINC000639243162 565235289 /nfs/dbraw/zinc/23/52/89/565235289.db2.gz YGRXIURHMZTGQM-INIZCTEOSA-N 1 0 392.301 2.977 20 0 GFADRO C[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)C1 ZINC000617414345 565236748 /nfs/dbraw/zinc/23/67/48/565236748.db2.gz GOOKPEISHFFZJO-XJKSGUPXSA-N 1 0 384.307 2.808 20 0 GFADRO C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)C1 ZINC000617414798 565237018 /nfs/dbraw/zinc/23/70/18/565237018.db2.gz QQPRZDZUNRPKEV-HZPDHXFCSA-N 1 0 384.307 2.808 20 0 GFADRO CNC(=O)CC1(C[NH2+]Cc2cnn3cc(Br)cnc23)CCCCC1 ZINC000639327947 565238574 /nfs/dbraw/zinc/23/85/74/565238574.db2.gz FFCVJXVMASYFEV-UHFFFAOYSA-N 1 0 394.317 2.668 20 0 GFADRO Fc1ccc2c(c1)OC[C@@H]([NH2+]Cc1cnn3cc(Br)cnc13)C2 ZINC000639320222 565238889 /nfs/dbraw/zinc/23/88/89/565238889.db2.gz JRYNXHZQZSFQMO-AWEZNQCLSA-N 1 0 377.217 2.724 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+][C@H]2CCN(c3ccc(Cl)cc3F)C2)s1 ZINC000639355802 565240621 /nfs/dbraw/zinc/24/06/21/565240621.db2.gz YRAQDKRCRBDJLL-NSHDSACASA-N 1 0 389.905 2.557 20 0 GFADRO CC(C)[N@H+](C)C[C@@H](O)CNC1(c2cccc(Br)c2)CCOCC1 ZINC000660036761 565241614 /nfs/dbraw/zinc/24/16/14/565241614.db2.gz NXNFPCKZNZBXFT-KRWDZBQOSA-N 1 0 385.346 2.746 20 0 GFADRO Cc1c(Br)ccc(C(=O)N[C@@H](C)CN(C)CCC[NH+](C)C)c1F ZINC000617507480 565244424 /nfs/dbraw/zinc/24/44/24/565244424.db2.gz YMZGDYMCBLFIHU-LBPRGKRZSA-N 1 0 388.325 2.898 20 0 GFADRO COC[C@@H](C[NH+]1CCC(C(=O)Nc2ccccc2Br)CC1)OC ZINC000660059926 565245393 /nfs/dbraw/zinc/24/53/93/565245393.db2.gz PXZJVLUHYFMMTC-CQSZACIVSA-N 1 0 385.302 2.761 20 0 GFADRO CCN1CC[C@H]([NH+]2CCC(C(=O)Nc3ccccc3Br)CC2)C1=O ZINC000660059989 565245974 /nfs/dbraw/zinc/24/59/74/565245974.db2.gz QKXOAIOYABOVFW-INIZCTEOSA-N 1 0 394.313 2.720 20 0 GFADRO CC(=O)N(C)C1CC[NH+](C[C@H](O)COc2cc(Cl)cc(Cl)c2)CC1 ZINC000639466365 565247359 /nfs/dbraw/zinc/24/73/59/565247359.db2.gz TWRSQJUNQJTBBJ-INIZCTEOSA-N 1 0 375.296 2.676 20 0 GFADRO COc1ncc(Br)cc1CN(C)[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000660082924 565248802 /nfs/dbraw/zinc/24/88/02/565248802.db2.gz OVQURQBOHAXURL-KGLIPLIRSA-N 1 0 391.331 2.640 20 0 GFADRO O[C@H](COc1cc(Cl)cc(Cl)c1)C[N@@H+]1C[C@H](O)C[C@@H]1[C@@H]1CCCOC1 ZINC000639659860 565253948 /nfs/dbraw/zinc/25/39/48/565253948.db2.gz SYZXDCKYIVZELQ-GMLZMKKNSA-N 1 0 390.307 2.595 20 0 GFADRO C[C@@H]1CCCN1C(=O)CC[N@@H+]1CC[C@@H](Oc2cncc(Br)c2)C1 ZINC000639771184 565259884 /nfs/dbraw/zinc/25/98/84/565259884.db2.gz BNNPJTMXIHCUGV-UKRRQHHQSA-N 1 0 382.302 2.698 20 0 GFADRO O=S(=O)(NCC1CC[NH+](CC2CC2)CC1)c1cccc(Br)c1 ZINC000660155760 565260337 /nfs/dbraw/zinc/26/03/37/565260337.db2.gz OXMHMFKVOBOFLH-UHFFFAOYSA-N 1 0 387.343 2.849 20 0 GFADRO CC1(C)C[NH2+][C@@H]1C(=O)NCCSCCOc1cccc(Br)c1 ZINC000592140743 565260795 /nfs/dbraw/zinc/26/07/95/565260795.db2.gz POMKEZILLMXOPG-CQSZACIVSA-N 1 0 387.343 2.675 20 0 GFADRO Cc1ccc(Cl)c(S(=O)(=O)N2CC3(CCCC3)OC[C@H]2C[NH+](C)C)c1 ZINC000660151530 565260945 /nfs/dbraw/zinc/26/09/45/565260945.db2.gz TYNIFYUGNHNAJL-OAHLLOKOSA-N 1 0 386.945 2.912 20 0 GFADRO O=S(=O)(NC[C@@H]1CCC[N@H+](CC2CC2)C1)c1ccc(Br)s1 ZINC000660180447 565263667 /nfs/dbraw/zinc/26/36/67/565263667.db2.gz ZKXMOSYPNBIEBI-LBPRGKRZSA-N 1 0 393.372 2.911 20 0 GFADRO O=S(=O)(NC[C@@H]1CCC[N@H+](CC2CC2)C1)c1ccc(Br)cc1 ZINC000660177898 565263893 /nfs/dbraw/zinc/26/38/93/565263893.db2.gz FQNLERRQZQJTNT-AWEZNQCLSA-N 1 0 387.343 2.849 20 0 GFADRO CC(C)[NH2+]CCC(=O)NCc1ccc(I)c(Cl)c1 ZINC000592276221 565266318 /nfs/dbraw/zinc/26/63/18/565266318.db2.gz BQRBKNOYUYVNHR-UHFFFAOYSA-N 1 0 380.657 2.949 20 0 GFADRO O=C(NC1CC[NH+](C2CC2)CC1)N1CCOc2cc(Br)ccc2C1 ZINC000660279396 565269794 /nfs/dbraw/zinc/26/97/94/565269794.db2.gz VVFIDNMRKVXJAS-UHFFFAOYSA-N 1 0 394.313 2.980 20 0 GFADRO CC1([NH3+])CCN(C(=O)c2cc(Cl)ccc2I)CC1 ZINC000592331506 565270306 /nfs/dbraw/zinc/27/03/06/565270306.db2.gz RYYUGJYJBVFLDF-UHFFFAOYSA-N 1 0 378.641 2.898 20 0 GFADRO COCCN(Cc1cc(Br)cs1)C[C@H](O)C[N@H+](C)C(C)C ZINC000660411804 565273863 /nfs/dbraw/zinc/27/38/63/565273863.db2.gz XYYWRUVZMZXGLK-CQSZACIVSA-N 1 0 379.364 2.660 20 0 GFADRO CC(C)(C(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)c1ccc(Br)cc1 ZINC000592404767 565274318 /nfs/dbraw/zinc/27/43/18/565274318.db2.gz NDDBOQYFUKMJOZ-SJORKVTESA-N 1 0 395.341 2.784 20 0 GFADRO C[C@@H](NC(=O)c1cnn2c1[C@@H](C[NH3+])CCC2)c1ccccc1Br ZINC000592480028 565278776 /nfs/dbraw/zinc/27/87/76/565278776.db2.gz VEBQYUJIIZFUHJ-VXGBXAGGSA-N 1 0 377.286 2.973 20 0 GFADRO CN(Cc1csc(Br)c1)C(=O)c1cnn2c1[C@H](C[NH3+])CCC2 ZINC000592501320 565279984 /nfs/dbraw/zinc/27/99/84/565279984.db2.gz VDTIVBKQAOBECK-NSHDSACASA-N 1 0 383.315 2.815 20 0 GFADRO CN(Cc1cc(Br)ccc1F)C(=O)c1cnn2c1[C@@H](C[NH3+])CCC2 ZINC000592518493 565280048 /nfs/dbraw/zinc/28/00/48/565280048.db2.gz UMOQGYANWUSDIW-LLVKDONJSA-N 1 0 395.276 2.893 20 0 GFADRO CC[C@H]1CN(C(=O)c2c(F)cccc2I)CC[C@H]1[NH3+] ZINC000592545795 565281018 /nfs/dbraw/zinc/28/10/18/565281018.db2.gz XCKWLKNVPLTPOR-JOYOIKCWSA-N 1 0 376.213 2.630 20 0 GFADRO O=C(N[C@@H]1CC[NH2+]C2(CCC2)C1)c1cc(F)ccc1I ZINC000592568977 565282184 /nfs/dbraw/zinc/28/21/84/565282184.db2.gz SOKYCCVCCKKBNH-LLVKDONJSA-N 1 0 388.224 2.835 20 0 GFADRO O=C(Cc1ccc(I)cc1)N[C@H]1CC[NH2+]C12CCCC2 ZINC000592570755 565282194 /nfs/dbraw/zinc/28/21/94/565282194.db2.gz QMRFHXUODMCWNZ-AWEZNQCLSA-N 1 0 384.261 2.625 20 0 GFADRO CNS(=O)(=O)c1ccc(C[N@@H+]2CC[C@@H](Oc3ccc(Cl)cc3)C2)cc1 ZINC000660659565 565288326 /nfs/dbraw/zinc/28/83/26/565288326.db2.gz ZXFGQTTVDLHAOJ-QGZVFWFLSA-N 1 0 380.897 2.901 20 0 GFADRO C[N@@H+]1CCC[C@H]1CNC(=O)Nc1cc(N2CCOCC2)ccc1Br ZINC000640233480 565289022 /nfs/dbraw/zinc/28/90/22/565289022.db2.gz AMAWXUFPKQJCHW-AWEZNQCLSA-N 1 0 397.317 2.501 20 0 GFADRO OCCC1([NH2+]C[C@@H](O)COc2cc(F)cc(Br)c2)CCCC1 ZINC000660682566 565289761 /nfs/dbraw/zinc/28/97/61/565289761.db2.gz PRECIPUAGPBUJO-CQSZACIVSA-N 1 0 376.266 2.613 20 0 GFADRO C[NH+](C)CCN(C(=O)Nc1nn(CC(F)(F)F)cc1Cl)C1CCCC1 ZINC000640294688 565295109 /nfs/dbraw/zinc/29/51/09/565295109.db2.gz HDADLDMOPGEZNY-UHFFFAOYSA-N 1 0 381.830 3.437 20 0 GFADRO C[C@@H](CNC(=O)N1CCOc2cc(Br)ccc2C1)[N@H+](C)C1CC1 ZINC000660856116 565296909 /nfs/dbraw/zinc/29/69/09/565296909.db2.gz YJTAFTIUSSJJCQ-LBPRGKRZSA-N 1 0 382.302 2.836 20 0 GFADRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)Nc1nn(CC(F)(F)F)cc1Cl ZINC000640302642 565297272 /nfs/dbraw/zinc/29/72/72/565297272.db2.gz SZSMNKXTAUGCNA-ZYHUDNBSSA-N 1 0 379.814 3.189 20 0 GFADRO C[C@@H]1[C@H](C(=O)NCc2cc(Cl)cc(I)c2)CC[N@@H+]1C ZINC000592807476 565297393 /nfs/dbraw/zinc/29/73/93/565297393.db2.gz YGRWTWPOKZPUMW-NOZJJQNGSA-N 1 0 392.668 2.901 20 0 GFADRO CCCN(C(=O)c1ccc(I)cc1F)[C@@H]1CC[N@H+](C)C1 ZINC000592828277 565299305 /nfs/dbraw/zinc/29/93/05/565299305.db2.gz FHDYXVANVQBBOB-GFCCVEGCSA-N 1 0 390.240 2.987 20 0 GFADRO C[N@H+](CCNC(=O)Nc1nnc(C(F)(F)C(F)(F)F)s1)C1CCCC1 ZINC000640384613 565304962 /nfs/dbraw/zinc/30/49/62/565304962.db2.gz SEUKJEZPJRCGGX-UHFFFAOYSA-N 1 0 387.378 3.188 20 0 GFADRO OCC1([C@@H]([NH2+]CCOc2ccccc2Br)C2CC2)CCOCC1 ZINC000661078862 565305193 /nfs/dbraw/zinc/30/51/93/565305193.db2.gz BRJFAYCTIRVSAP-KRWDZBQOSA-N 1 0 384.314 2.985 20 0 GFADRO CO[C@@H]1CCC[C@@H]([C@H](CO)[NH2+]Cc2nc3cc(Br)ccc3[nH]2)C1 ZINC000661213394 565313885 /nfs/dbraw/zinc/31/38/85/565313885.db2.gz AWPAOOYANIIUNH-KFNAQCHYSA-N 1 0 382.302 2.981 20 0 GFADRO O=[S@](Cc1cc2n(n1)CCC2)Cc1cn2cc(Br)ccc2n1 ZINC000593202210 565319313 /nfs/dbraw/zinc/31/93/13/565319313.db2.gz OQMZJXVOVHEBCJ-JOCHJYFZSA-N 1 0 379.283 2.688 20 0 GFADRO CC[N@H+]1[C@H](C)CN(C(=O)c2ccc3cncc(Br)c3n2)C[C@@H]1C ZINC000640612763 565319782 /nfs/dbraw/zinc/31/97/82/565319782.db2.gz QWAKEFCFPFPKJO-TXEJJXNPSA-N 1 0 377.286 2.947 20 0 GFADRO CC[N@H+]1[C@H](C)CN(C(=O)c2ccc(Br)cc2-n2cncn2)C[C@@H]1C ZINC000640607764 565320126 /nfs/dbraw/zinc/32/01/26/565320126.db2.gz XRHNGJADOZEXPM-BETUJISGSA-N 1 0 392.301 2.585 20 0 GFADRO CC[N@H+]1[C@H](C)CN(C(=O)c2cnc3ncc(Br)cc3c2)C[C@@H]1C ZINC000640607893 565320232 /nfs/dbraw/zinc/32/02/32/565320232.db2.gz CQKDSCNPJINDSR-TXEJJXNPSA-N 1 0 377.286 2.947 20 0 GFADRO O[C@H](COC[C@H]1CCCO1)C[NH+]1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000661376629 565321606 /nfs/dbraw/zinc/32/16/06/565321606.db2.gz FIKXFTHAUWLTNS-JKSUJKDBSA-N 1 0 389.323 2.672 20 0 GFADRO C[C@@H](C(=O)Nc1ccc(Br)cc1)n1cc(C2CC[NH2+]CC2)nn1 ZINC000640801899 565328608 /nfs/dbraw/zinc/32/86/08/565328608.db2.gz ZQMVNXKCTFPUDG-NSHDSACASA-N 1 0 378.274 2.707 20 0 GFADRO C[C@H](NC(=O)Cn1cc(C[C@H]2CC[NH2+]C2)nn1)c1ccc(Cl)cc1Cl ZINC000640838447 565329771 /nfs/dbraw/zinc/32/97/71/565329771.db2.gz GTAYTUWZCWJOFU-NWDGAFQWSA-N 1 0 382.295 2.614 20 0 GFADRO CC(C)(C)[C@H]([NH3+])c1cn(Cc2cc3c(cc2Br)OCCO3)nn1 ZINC000640850794 565330707 /nfs/dbraw/zinc/33/07/07/565330707.db2.gz CPFPVDGZACFMQD-OAHLLOKOSA-N 1 0 381.274 2.906 20 0 GFADRO CC[NH+]1CCC(Nc2ncnc3cc(I)sc32)CC1 ZINC000593454249 565330920 /nfs/dbraw/zinc/33/09/20/565330920.db2.gz GIKGKOLVQBPRGY-UHFFFAOYSA-N 1 0 388.278 3.192 20 0 GFADRO Cn1cc(Br)c(CN2CC[C@H]([N@H+](C)CCc3ccccc3)C2)n1 ZINC000661639292 565331582 /nfs/dbraw/zinc/33/15/82/565331582.db2.gz NCHVQYGOZDGBSI-INIZCTEOSA-N 1 0 377.330 2.931 20 0 GFADRO C[C@@H](C(=O)Nc1ccccc1Br)n1cc([C@@H]2CCC[NH2+]C2)nn1 ZINC000640901066 565334830 /nfs/dbraw/zinc/33/48/30/565334830.db2.gz ICSIMNGMECPZDJ-NWDGAFQWSA-N 1 0 378.274 2.707 20 0 GFADRO CC(C)[C@H]([NH3+])c1cn([C@@H](C)C(=O)N(C)Cc2ccc(Br)cc2)nn1 ZINC000640925293 565337268 /nfs/dbraw/zinc/33/72/68/565337268.db2.gz IJUZCBZFJAVMRP-LRDDRELGSA-N 1 0 394.317 2.916 20 0 GFADRO Cn1cc(C[C@@H]2CCC[C@@H]2[NH2+][C@H](C(N)=O)c2cccc(Br)c2)cn1 ZINC000661776536 565337553 /nfs/dbraw/zinc/33/75/53/565337553.db2.gz AEMLEOSVQLXSBD-JQFCIGGWSA-N 1 0 391.313 2.710 20 0 GFADRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)N1CCc2[nH]c3ccc(Br)cc3c2C1 ZINC000640941571 565338795 /nfs/dbraw/zinc/33/87/95/565338795.db2.gz QACOKVOOYHODGN-APPDUMDISA-N 1 0 391.313 2.996 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)CCC[N@@H+]1CCC(=O)N(C)CC1 ZINC000661806788 565339473 /nfs/dbraw/zinc/33/94/73/565339473.db2.gz NEWCAMXSAVKJRC-UHFFFAOYSA-N 1 0 396.329 2.949 20 0 GFADRO O=C(C[NH2+][C@H]1C[C@H](O)C12CCC2)Nc1c(F)cc(F)cc1Br ZINC000661833279 565340360 /nfs/dbraw/zinc/34/03/60/565340360.db2.gz QIOKGJSXPWUOOC-RYUDHWBXSA-N 1 0 375.213 2.559 20 0 GFADRO CS[C@H]1CN(C(=O)c2cnc(-c3ccccc3Cl)nc2)C[C@H]1[NH+](C)C ZINC000593562416 565341803 /nfs/dbraw/zinc/34/18/03/565341803.db2.gz VPUFRTIZBQYZHJ-CVEARBPZSA-N 1 0 376.913 2.915 20 0 GFADRO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)N[C@H](CO)c1ccc(Br)cc1 ZINC000661897988 565342328 /nfs/dbraw/zinc/34/23/28/565342328.db2.gz MQEWNCVYOIIREV-RHSMWYFYSA-N 1 0 398.345 2.902 20 0 GFADRO CCC[N@@H+]1CC[C@H](NC(=O)NCc2cn3cc(Br)cc(C)c3n2)C1 ZINC000661947762 565343979 /nfs/dbraw/zinc/34/39/79/565343979.db2.gz CZIWAVFFKKUTHR-AWEZNQCLSA-N 1 0 394.317 2.689 20 0 GFADRO COc1cc(Cn2cc(CC[NH+]3CCCCC3)nn2)c(Br)cn1 ZINC000641103959 565344967 /nfs/dbraw/zinc/34/49/67/565344967.db2.gz PLFJZPAZELFLDM-UHFFFAOYSA-N 1 0 380.290 2.521 20 0 GFADRO O=C1CCCN1C[C@@H]1CC[N@@H+](C[C@@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000662062907 565348892 /nfs/dbraw/zinc/34/88/92/565348892.db2.gz SBLYPNMLWJAKBQ-UKRRQHHQSA-N 1 0 387.307 2.677 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S(=O)(=O)CC[NH2+]C1(CC(C)C)CC1 ZINC000662067403 565349042 /nfs/dbraw/zinc/34/90/42/565349042.db2.gz XZPFRVSBXCUWNM-UHFFFAOYSA-N 1 0 387.567 2.812 20 0 GFADRO Cc1ccc(C(=O)NCC23CCC[NH+]2CCC3)cc1I ZINC000619574030 565349716 /nfs/dbraw/zinc/34/97/16/565349716.db2.gz KGSJOKYAPCJQBL-UHFFFAOYSA-N 1 0 384.261 2.958 20 0 GFADRO C[C@H](C(=O)Nc1cc(Cl)ccc1Cl)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000662157805 565352783 /nfs/dbraw/zinc/35/27/83/565352783.db2.gz QOYMFUNVPJFCBD-DOMZBBRYSA-N 1 0 386.323 2.851 20 0 GFADRO CCSc1ccc(Cn2cc(C[C@@H]([NH3+])COC)nn2)c(Br)c1 ZINC000641186829 565353048 /nfs/dbraw/zinc/35/30/48/565353048.db2.gz MJOSFOOQMPRVEI-GFCCVEGCSA-N 1 0 385.331 2.717 20 0 GFADRO CCc1nn(C)cc1C[NH2+]CCOc1ccc(I)cc1 ZINC000619747762 565357768 /nfs/dbraw/zinc/35/77/68/565357768.db2.gz UAKZZEMJDINGFP-UHFFFAOYSA-N 1 0 385.249 2.756 20 0 GFADRO Cc1cc(Br)c(CN2CCC[C@@H](C(=O)NCC[NH3+])C2)cc1Cl ZINC000662242748 565357741 /nfs/dbraw/zinc/35/77/41/565357741.db2.gz IHMZRGQGUNNCRO-GFCCVEGCSA-N 1 0 388.737 2.698 20 0 GFADRO COC1CC[NH+](C2(CNC(=O)c3cncc(Br)c3)CCCC2)CC1 ZINC000593724843 565358334 /nfs/dbraw/zinc/35/83/34/565358334.db2.gz QZWKQOQFDMAJPS-UHFFFAOYSA-N 1 0 396.329 2.998 20 0 GFADRO [NH3+]CC1(CCNC(=O)Nc2cc(F)c(I)c(F)c2)CC1 ZINC000593761431 565359392 /nfs/dbraw/zinc/35/93/92/565359392.db2.gz NLAYTDQHPNQQRG-UHFFFAOYSA-N 1 0 395.191 2.820 20 0 GFADRO C[NH+](C)CCC[C@H]1CN(Cc2cc3c(cc2Br)OCO3)CCO1 ZINC000662319046 565360447 /nfs/dbraw/zinc/36/04/47/565360447.db2.gz JNBRBCONRMXHJN-AWEZNQCLSA-N 1 0 385.302 2.720 20 0 GFADRO COc1cnc(NCc2cccnc2N2CC[NH+](C)CC2)c(Br)c1 ZINC000641311547 565362013 /nfs/dbraw/zinc/36/20/13/565362013.db2.gz PZNCILYKPPHINI-UHFFFAOYSA-N 1 0 392.301 2.612 20 0 GFADRO COCC[NH+]1CCC(Nc2ncnc(C(F)(F)F)c2Br)CC1 ZINC000641311348 565362172 /nfs/dbraw/zinc/36/21/72/565362172.db2.gz XIIMEGSWHZSKNC-UHFFFAOYSA-N 1 0 383.212 2.781 20 0 GFADRO C[C@@H](CNC(=O)c1sc2c(c1Br)CNC2)[N@@H+]1CCC[C@@H](C)C1 ZINC000662387172 565364920 /nfs/dbraw/zinc/36/49/20/565364920.db2.gz IUNPPTHYADURHP-MNOVXSKESA-N 1 0 386.359 2.964 20 0 GFADRO CN(CC[NH+]1CCCCC1)C(=O)c1cc(I)ccc1F ZINC000593882440 565365849 /nfs/dbraw/zinc/36/58/49/565365849.db2.gz HGQCKVFHHHGENC-UHFFFAOYSA-N 1 0 390.240 2.988 20 0 GFADRO NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)c1csc(-c2ccc(Cl)s2)n1 ZINC000593897548 565366234 /nfs/dbraw/zinc/36/62/34/565366234.db2.gz CEUBGLATPHBGBM-LLVKDONJSA-N 1 0 398.941 2.595 20 0 GFADRO CN[C@H](C(=O)NC1CC[NH+](CCCOC)CC1)c1cccc(Cl)c1Cl ZINC000662439003 565367861 /nfs/dbraw/zinc/36/78/61/565367861.db2.gz HMQOSDSBWFNLJL-KRWDZBQOSA-N 1 0 388.339 2.871 20 0 GFADRO CC(C)OC[C@H]([NH3+])C(=O)NC[C@@H](C)Sc1ccc(Br)cc1 ZINC000662453915 565369692 /nfs/dbraw/zinc/36/96/92/565369692.db2.gz YULSZECWJLUZTR-RISCZKNCSA-N 1 0 375.332 2.798 20 0 GFADRO O=C(Nc1ccc(Br)c(F)c1)c1cn([C@@H]2CCC[NH2+]CC2)nn1 ZINC000662466192 565370320 /nfs/dbraw/zinc/37/03/20/565370320.db2.gz CSQMFRXTKZPCNO-LLVKDONJSA-N 1 0 382.237 2.747 20 0 GFADRO CC(C)OC(=O)C[C@@H]([NH2+]CC(=O)Nc1ccc(Br)cn1)C(C)C ZINC000594046040 565373050 /nfs/dbraw/zinc/37/30/50/565373050.db2.gz NRXYZUDLXPMNBN-CYBMUJFWSA-N 1 0 386.290 2.739 20 0 GFADRO Cc1ccc(CN(C[C@@H]2CCCO2)C(=O)NC[C@@H](C)[NH3+])c(Br)c1 ZINC000641476592 565375422 /nfs/dbraw/zinc/37/54/22/565375422.db2.gz SKGAKYCEOMOITL-HIFRSBDPSA-N 1 0 384.318 2.795 20 0 GFADRO CN(Cc1ccc(F)cc1Br)C(=O)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC000662544453 565375990 /nfs/dbraw/zinc/37/59/90/565375990.db2.gz AJSMKYWBSUDPTE-JTQLQIEISA-N 1 0 381.249 2.660 20 0 GFADRO CN(Cc1ccc(F)cc1Br)C(=O)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC000662544454 565375998 /nfs/dbraw/zinc/37/59/98/565375998.db2.gz AJSMKYWBSUDPTE-SNVBAGLBSA-N 1 0 381.249 2.660 20 0 GFADRO CC(C)([NH3+])c1cc(C(=O)N2CCO[C@H](c3cccc(Br)c3)C2)on1 ZINC000662540990 565376252 /nfs/dbraw/zinc/37/62/52/565376252.db2.gz OZAYCXYUMYUNRW-AWEZNQCLSA-N 1 0 394.269 2.845 20 0 GFADRO Cc1c(Br)cncc1C(=O)N1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000662576584 565378544 /nfs/dbraw/zinc/37/85/44/565378544.db2.gz WCOSNPBSQTUTGJ-BBRMVZONSA-N 1 0 382.302 2.511 20 0 GFADRO C[C@@H](CNC(=O)[C@@]1(C(F)(F)F)CC[NH2+]C1)Oc1ccccc1Br ZINC000662633016 565379276 /nfs/dbraw/zinc/37/92/76/565379276.db2.gz XGJLCPMCQNUVLI-IINYFYTJSA-N 1 0 395.219 2.875 20 0 GFADRO [NH3+]C[C@@H]1OCC[C@@H]1C(=O)N1CCC(OCc2ccc(Cl)c(Cl)c2)CC1 ZINC000662639137 565380874 /nfs/dbraw/zinc/38/08/74/565380874.db2.gz JLJQEMBRANWQET-YOEHRIQHSA-N 1 0 387.307 2.865 20 0 GFADRO [NH3+]CC12CC(C1)CN2C(=O)[C@H](c1ccc(Br)cc1)N1CCCC1 ZINC000662684614 565382086 /nfs/dbraw/zinc/38/20/86/565382086.db2.gz XIUZKHFEKJMINY-MNQCNDSGSA-N 1 0 378.314 2.536 20 0 GFADRO O=C(NCC12CC(C1)C[NH2+]2)c1ccc(Br)c(OC(F)(F)F)c1 ZINC000662714420 565382829 /nfs/dbraw/zinc/38/28/29/565382829.db2.gz FBCLWFCOBLXWQP-UHFFFAOYSA-N 1 0 379.176 2.830 20 0 GFADRO Cc1c(Br)ccc(C(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)c1F ZINC000620478702 565385064 /nfs/dbraw/zinc/38/50/64/565385064.db2.gz FTGRLEDISGEBCU-ZDUSSCGKSA-N 1 0 385.277 2.568 20 0 GFADRO O=C(c1cc(Br)cc2c1OCCO2)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000662814161 565385498 /nfs/dbraw/zinc/38/54/98/565385498.db2.gz QKTISYKAEYGLHL-WFASDCNBSA-N 1 0 395.297 2.825 20 0 GFADRO CC(C)([NH3+])c1cc(C(=O)N2CCc3c(Br)ccc(F)c3C2)on1 ZINC000662803745 565385637 /nfs/dbraw/zinc/38/56/37/565385637.db2.gz UGLQOHSJYCIMAZ-UHFFFAOYSA-N 1 0 382.233 2.969 20 0 GFADRO C[C@@H](Oc1ccc(Cl)c(Cl)c1)C(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000620486411 565385682 /nfs/dbraw/zinc/38/56/82/565385682.db2.gz GDKUXYLKJAQNPK-OCCSQVGLSA-N 1 0 387.307 2.818 20 0 GFADRO O=C(N1CCN(Cc2ccc(Br)cc2)CC1)C1([NH2+]C2CC2)CCC1 ZINC000662823755 565387616 /nfs/dbraw/zinc/38/76/16/565387616.db2.gz WIBPLAQHYHKNLS-UHFFFAOYSA-N 1 0 392.341 2.768 20 0 GFADRO COC(=O)c1cc(NC(=O)[C@@H]2C[C@]23CCC[NH2+]C3)cc(Br)c1F ZINC000594456381 565387923 /nfs/dbraw/zinc/38/79/23/565387923.db2.gz NYRJCVPVKQXNKY-ZBEGNZNMSA-N 1 0 385.233 2.703 20 0 GFADRO O=C(C[C@@H]1CSCC[NH2+]1)N1CCc2[nH]c3ccc(Br)cc3c2C1 ZINC000662864714 565388130 /nfs/dbraw/zinc/38/81/30/565388130.db2.gz VRXUPUFVMZCNLQ-GFCCVEGCSA-N 1 0 394.338 2.910 20 0 GFADRO CN(CCCC[NH+]1CCCCC1)C(=O)Cc1cc[nH]c(=O)c1Br ZINC000641663060 565391921 /nfs/dbraw/zinc/39/19/21/565391921.db2.gz MPCAWFUBJVRYRQ-UHFFFAOYSA-N 1 0 384.318 2.817 20 0 GFADRO C[C@@H]1CN(C(=O)[C@@](C)([NH3+])c2ccc(Br)cc2)C[C@@](C)(C(F)F)O1 ZINC000663004071 565391913 /nfs/dbraw/zinc/39/19/13/565391913.db2.gz KRRZRPFONBRSDK-VFVAKGGASA-N 1 0 391.256 2.894 20 0 GFADRO C[C@]1(NC(=O)CCc2ncc(-c3ccccc3Br)o2)CC[NH2+]C1 ZINC000663010888 565393126 /nfs/dbraw/zinc/39/31/26/565393126.db2.gz LRJLAMYDSXNRBK-KRWDZBQOSA-N 1 0 378.270 2.905 20 0 GFADRO CN(CCCC[NH+]1CCCCC1)S(=O)(=O)c1ncccc1C(F)(F)F ZINC000641698068 565395442 /nfs/dbraw/zinc/39/54/42/565395442.db2.gz PIZZDKXSUZHCFB-UHFFFAOYSA-N 1 0 379.448 2.987 20 0 GFADRO Cc1nn(C)c(C[NH2+][C@H](CO)Cc2c[nH]c3ccccc23)c1Br ZINC000641728601 565397615 /nfs/dbraw/zinc/39/76/15/565397615.db2.gz VTCRLGIICMKCEL-ZDUSSCGKSA-N 1 0 377.286 2.666 20 0 GFADRO COC[C@@]1(CNC(=O)N2CC[C@H](Sc3cccc(Cl)c3)C2)CCC[NH2+]1 ZINC000641812470 565399497 /nfs/dbraw/zinc/39/94/97/565399497.db2.gz MHGWKJQZGAYBMN-WMZOPIPTSA-N 1 0 383.945 2.985 20 0 GFADRO Cc1ccc(SCC(F)(F)F)c(NC(=O)C(=O)NCCC(C)(C)[NH3+])c1 ZINC000641821366 565400132 /nfs/dbraw/zinc/40/01/32/565400132.db2.gz MEBHPJHVYBLIOY-UHFFFAOYSA-N 1 0 377.432 2.832 20 0 GFADRO C[C@@H]1C[N@@H+](CCCNC(=O)COc2ccc(Cl)c(Cl)c2)C[C@H](C)O1 ZINC000641880104 565400806 /nfs/dbraw/zinc/40/08/06/565400806.db2.gz IWGHBQIJGWNKBZ-BETUJISGSA-N 1 0 375.296 2.988 20 0 GFADRO COC(=O)[C@H]1CC[N@H+](Cc2cn(-c3cccc(Br)c3)nc2C)C1 ZINC000594596808 565401357 /nfs/dbraw/zinc/40/13/57/565401357.db2.gz CFVWGJOZZQGRBF-ZDUSSCGKSA-N 1 0 378.270 2.938 20 0 GFADRO CSc1ncc(Cl)c(C(=O)N2CC3(CCCC3)OC[C@@H]2C[NH+](C)C)n1 ZINC000620915008 565402251 /nfs/dbraw/zinc/40/22/51/565402251.db2.gz YBJYCWPBZSRQHY-LBPRGKRZSA-N 1 0 384.933 2.567 20 0 GFADRO COc1cc(Br)ccc1C(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000620966531 565403093 /nfs/dbraw/zinc/40/30/93/565403093.db2.gz IBAILTUMYYAQER-CQSZACIVSA-N 1 0 385.302 2.641 20 0 GFADRO COc1ccc(C(=O)N2CCO[C@H](CCC[NH+](C)C)C2)c(Br)c1 ZINC000620967056 565403237 /nfs/dbraw/zinc/40/32/37/565403237.db2.gz OLFOPIKACWXVLT-CQSZACIVSA-N 1 0 385.302 2.641 20 0 GFADRO COC(=O)c1cc(C[NH2+]C[C@@H](O)COc2ccccc2Br)c(C)o1 ZINC000594608247 565403421 /nfs/dbraw/zinc/40/34/21/565403421.db2.gz JWWKHWPYTXWAIV-CYBMUJFWSA-N 1 0 398.253 2.667 20 0 GFADRO CC(C)([NH3+])c1cn(Cc2ccc(I)c(Cl)c2)nn1 ZINC000594655341 565403952 /nfs/dbraw/zinc/40/39/52/565403952.db2.gz JYTAIFURCITALD-UHFFFAOYSA-N 1 0 376.629 2.778 20 0 GFADRO CC(C)[C@@H]1CN(C(=O)c2cnn(-c3cccc(Br)c3)c2)CC[NH2+]1 ZINC000621152692 565408726 /nfs/dbraw/zinc/40/87/26/565408726.db2.gz BTGUFBZTMXBKLT-INIZCTEOSA-N 1 0 377.286 2.705 20 0 GFADRO CCOc1ccc(S(=O)(=O)N(C)[C@@H](C[NH3+])C(F)(F)F)c2ccccc12 ZINC000663311658 565410923 /nfs/dbraw/zinc/41/09/23/565410923.db2.gz OYVFXLYPEDKUIK-HNNXBMFYSA-N 1 0 376.400 2.749 20 0 GFADRO Cc1csc(-c2ccc(S(=O)(=O)N(C)[C@@H](C[NH3+])C(F)(F)F)cc2)n1 ZINC000663310489 565411471 /nfs/dbraw/zinc/41/14/71/565411471.db2.gz VXQGOSXQFFTLAC-LBPRGKRZSA-N 1 0 379.429 2.629 20 0 GFADRO CN([C@@H](C[NH3+])C(F)(F)F)S(=O)(=O)c1cc(Cl)ccc1Br ZINC000663309343 565411684 /nfs/dbraw/zinc/41/16/84/565411684.db2.gz BVECKRGMTLLMST-VIFPVBQESA-N 1 0 395.628 2.613 20 0 GFADRO C[C@H](CNS(=O)(=O)c1ccccc1Br)[N@@H+]1CCCC[C@H]1C ZINC000642376751 565412342 /nfs/dbraw/zinc/41/23/42/565412342.db2.gz CILHVZDSEGJQBK-CHWSQXEVSA-N 1 0 375.332 2.990 20 0 GFADRO CNS(=O)(=O)CC[NH2+][C@@H](CC1CC1)c1cc(F)cc(Br)c1 ZINC000621281593 565414816 /nfs/dbraw/zinc/41/48/16/565414816.db2.gz BLPRJMFYICOXAB-AWEZNQCLSA-N 1 0 379.295 2.568 20 0 GFADRO CC(C)[C@@H](CNc1nc(C2CC2)ncc1Br)N1CC[NH+](C)CC1 ZINC000663375969 565416509 /nfs/dbraw/zinc/41/65/09/565416509.db2.gz FCWWXLQTEVZWBT-OAHLLOKOSA-N 1 0 382.350 2.800 20 0 GFADRO COc1cc(CN2CCC([N@@H+]3CCOC[C@@H]3C)CC2)c(Br)cn1 ZINC000621296463 565416647 /nfs/dbraw/zinc/41/66/47/565416647.db2.gz TVIMMDZRSVPDLE-ZDUSSCGKSA-N 1 0 384.318 2.538 20 0 GFADRO CC[NH+]1CCN(CCNc2ncc(Br)cc2C(F)(F)F)CC1 ZINC000663399153 565417595 /nfs/dbraw/zinc/41/75/95/565417595.db2.gz SLVCQTOYFUDPTR-UHFFFAOYSA-N 1 0 381.240 2.912 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)C1=Cc2cc(Br)ccc2OC1 ZINC000642923422 565418535 /nfs/dbraw/zinc/41/85/35/565418535.db2.gz WWYCFTKHJNPVRB-HZPDHXFCSA-N 1 0 377.282 2.968 20 0 GFADRO O=C(NCCc1ccc(Cl)cc1Cl)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000663412894 565419144 /nfs/dbraw/zinc/41/91/44/565419144.db2.gz UEFHDXMLDAQPBJ-MRXNPFEDSA-N 1 0 386.323 2.777 20 0 GFADRO CCOCCOc1ccc(Br)cc1NC(=O)N[C@]1(C)CC[NH2+]C1 ZINC000663590007 565426937 /nfs/dbraw/zinc/42/69/37/565426937.db2.gz YYNPCERQMKLRNC-MRXNPFEDSA-N 1 0 386.290 2.738 20 0 GFADRO C[C@]1(NC(=O)Nc2ccc(-c3ccc(Br)s3)nn2)CC[NH2+]C1 ZINC000663592489 565428311 /nfs/dbraw/zinc/42/83/11/565428311.db2.gz KLJPMDQAPONUAL-AWEZNQCLSA-N 1 0 382.287 2.841 20 0 GFADRO C[C@]1(NC(=O)C(=O)Nc2ccc(Br)c(Cl)c2Cl)CC[NH2+]C1 ZINC000663612898 565429129 /nfs/dbraw/zinc/42/91/29/565429129.db2.gz VYQFYXILSOLOKT-ZDUSSCGKSA-N 1 0 395.084 2.563 20 0 GFADRO COc1cc(C[N@@H+]2CC[C@H](Nc3cc(Br)cnn3)C2)cc(OC)c1 ZINC000663707800 565431741 /nfs/dbraw/zinc/43/17/41/565431741.db2.gz FXZRNRBENSNBDG-AWEZNQCLSA-N 1 0 393.285 2.943 20 0 GFADRO CC1([NH3+])CCN(C(=O)C(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)CC1 ZINC000643487307 565434064 /nfs/dbraw/zinc/43/40/64/565434064.db2.gz FONKHILVUDROFA-HNNXBMFYSA-N 1 0 384.307 2.997 20 0 GFADRO CN(Cc1ccc(Cl)s1)C(=O)C(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000643477215 565434107 /nfs/dbraw/zinc/43/41/07/565434107.db2.gz YLUMKEXPRXPTGG-UONOGXRCSA-N 1 0 383.945 2.598 20 0 GFADRO O=C(c1cc2c(cc1Br)OCO2)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000621664082 565435825 /nfs/dbraw/zinc/43/58/25/565435825.db2.gz KCNTZUHGMNOJNI-FZMZJTMJSA-N 1 0 381.270 2.782 20 0 GFADRO [NH3+][C@@]12CCC[C@H]1CN(C(=O)c1cc(-c3ccc(Br)cc3)n[nH]1)C2 ZINC000621691529 565436985 /nfs/dbraw/zinc/43/69/85/565436985.db2.gz AGKMTKRABAVIPM-YVEFUNNKSA-N 1 0 375.270 2.793 20 0 GFADRO CCOc1c(Br)cc(C(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)cc1OC ZINC000621688459 565437005 /nfs/dbraw/zinc/43/70/05/565437005.db2.gz VGDJOJQRYKVKOM-SJCJKPOMSA-N 1 0 383.286 2.810 20 0 GFADRO COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]C[C@@H](CO)Cc1ccc(F)c(Br)c1 ZINC000594947458 565437113 /nfs/dbraw/zinc/43/71/13/565437113.db2.gz ADVNVCFACPRMLN-SCUASFONSA-N 1 0 388.277 2.526 20 0 GFADRO O[C@]1(C[NH2+]Cc2cc(Cl)ccc2I)CCSC1 ZINC000594941765 565437152 /nfs/dbraw/zinc/43/71/52/565437152.db2.gz UPKZBIDSCTZFJP-LBPRGKRZSA-N 1 0 383.682 2.902 20 0 GFADRO [NH3+][C@]12CCC[C@@H]1CN(C(=O)[C@@H]1CCN(c3ccc(Cl)c(Cl)c3)C1=O)C2 ZINC000621682863 565437326 /nfs/dbraw/zinc/43/73/26/565437326.db2.gz MLCVDDQPIFUDPV-YNKQFZHNSA-N 1 0 382.291 2.686 20 0 GFADRO Cc1c(C(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)cnn1-c1cccc(Br)c1 ZINC000621689112 565437436 /nfs/dbraw/zinc/43/74/36/565437436.db2.gz CNSAOHADUCYKGW-UGSOOPFHSA-N 1 0 389.297 2.897 20 0 GFADRO COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]C[C@H](CO)Cc1ccc(F)c(Br)c1 ZINC000594947445 565437424 /nfs/dbraw/zinc/43/74/24/565437424.db2.gz ADVNVCFACPRMLN-FMKGYKFTSA-N 1 0 388.277 2.526 20 0 GFADRO Cc1c(C(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)cnn1-c1ccc(Br)cc1 ZINC000621696581 565438061 /nfs/dbraw/zinc/43/80/61/565438061.db2.gz PRQIIWBLILQRRB-SCLBCKFNSA-N 1 0 389.297 2.897 20 0 GFADRO Brc1cnnc(NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)c1 ZINC000663845573 565439494 /nfs/dbraw/zinc/43/94/94/565439494.db2.gz XEIZYFRZONZUDY-INIZCTEOSA-N 1 0 377.286 2.942 20 0 GFADRO CN1CC[NH+](CCCN[C@@H](c2ccc(Br)cc2)C(F)F)CC1 ZINC000621749174 565440199 /nfs/dbraw/zinc/44/01/99/565440199.db2.gz UARSUAGSVKZIRJ-HNNXBMFYSA-N 1 0 376.289 2.982 20 0 GFADRO Ic1ccc(C[NH2+]C2CCN([C@H]3CCOC3)CC2)cc1 ZINC000594995055 565441309 /nfs/dbraw/zinc/44/13/09/565441309.db2.gz YSBKJVMNDZNVER-INIZCTEOSA-N 1 0 386.277 2.634 20 0 GFADRO C[C@@H](CN1CCCC1=O)[NH2+][C@H]1CCc2ccc(I)cc21 ZINC000595017715 565442694 /nfs/dbraw/zinc/44/26/94/565442694.db2.gz NLNGJRBAOFKSQJ-NHYWBVRUSA-N 1 0 384.261 2.879 20 0 GFADRO O=C(NCC[C@H]1CC[NH2+]C1)NCC(F)(F)c1ccc(Br)cc1 ZINC000621846409 565443832 /nfs/dbraw/zinc/44/38/32/565443832.db2.gz BDGAYBHQNPRCEU-LLVKDONJSA-N 1 0 376.245 2.840 20 0 GFADRO CC(C)[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCO[C@H]2c2cncc(Br)c2)C1 ZINC000621814933 565444122 /nfs/dbraw/zinc/44/41/22/565444122.db2.gz WARDDGWGLKNFRF-ZACQAIPSSA-N 1 0 396.329 2.911 20 0 GFADRO COc1cc(Br)c(CNC(=O)NCC[C@H](C)[NH+](C)C)cc1OC ZINC000663940476 565444207 /nfs/dbraw/zinc/44/42/07/565444207.db2.gz ZRKSCBMXEMYXRV-NSHDSACASA-N 1 0 388.306 2.606 20 0 GFADRO C[C@@H]1CN(CCNC(=O)N[C@@H]2CCc3c2cccc3Br)[C@H](C)CO1 ZINC000663955216 565445540 /nfs/dbraw/zinc/44/55/40/565445540.db2.gz JLOJTFMISUZOKS-PBFPGSCMSA-N 1 0 396.329 2.845 20 0 GFADRO CO[C@H](C[NH2+][C@@H]1CCc2ccc(I)cc21)[C@H]1CCOC1 ZINC000595061129 565447262 /nfs/dbraw/zinc/44/72/62/565447262.db2.gz PJZGBSVRIVENLU-APHBMKBZSA-N 1 0 387.261 2.920 20 0 GFADRO C[C@H]1CC2(CN1S(=O)(=O)c1ccc(OC(F)F)c(F)c1)CC[NH2+]CC2 ZINC000643970998 565454405 /nfs/dbraw/zinc/45/44/05/565454405.db2.gz LOIXRQURAVUXNM-NSHDSACASA-N 1 0 378.416 2.580 20 0 GFADRO O=C(NCCCc1ccc(Br)cc1F)[C@H]1C[NH2+]CCC1(F)F ZINC000644007194 565455235 /nfs/dbraw/zinc/45/52/35/565455235.db2.gz HQSJXENXRXVFOD-GFCCVEGCSA-N 1 0 379.220 2.882 20 0 GFADRO COC(=O)c1cc(F)c(Br)cc1NC(=O)NCC[C@@H]([NH3+])C(C)C ZINC000595231918 565456736 /nfs/dbraw/zinc/45/67/36/565456736.db2.gz HYNLZFBUDGKGIR-GFCCVEGCSA-N 1 0 390.253 2.870 20 0 GFADRO COC(=O)c1cc(NC(=O)N(C)CC(C)(C)[NH3+])cc(Br)c1F ZINC000595232116 565456759 /nfs/dbraw/zinc/45/67/59/565456759.db2.gz UMXITWQMNGAKEM-UHFFFAOYSA-N 1 0 376.226 2.576 20 0 GFADRO O=C(Nc1ccc(I)cc1F)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000595236446 565456952 /nfs/dbraw/zinc/45/69/52/565456952.db2.gz ZNHOTQZOUGUWCP-TVQRCGJNSA-N 1 0 389.212 2.646 20 0 GFADRO C[NH+]1CCC(CC(=O)NCc2cnn(-c3ccc(Br)cc3)c2)CC1 ZINC000644082760 565457440 /nfs/dbraw/zinc/45/74/40/565457440.db2.gz VDZPTRJIPZUUCM-UHFFFAOYSA-N 1 0 391.313 2.983 20 0 GFADRO C[NH+](C)C[C@H](NC(=O)c1cc(Br)c[nH]c1=O)c1ccc(F)cc1 ZINC000622052849 565459604 /nfs/dbraw/zinc/45/96/04/565459604.db2.gz BOOFAPGGCWVKIP-AWEZNQCLSA-N 1 0 382.233 2.722 20 0 GFADRO O=C(Nc1ccn(-c2ccc(Cl)cc2Cl)n1)[C@@H]1C[NH2+]CCC1(F)F ZINC000644152150 565461675 /nfs/dbraw/zinc/46/16/75/565461675.db2.gz VXFBKJDBEHNAQE-JTQLQIEISA-N 1 0 375.206 3.362 20 0 GFADRO O=C(N[C@@H]1CC12CC[NH2+]CC2)c1cn(-c2ccc(Br)cc2)cn1 ZINC000644145526 565461881 /nfs/dbraw/zinc/46/18/81/565461881.db2.gz JPJAWZGGWNOFQJ-OAHLLOKOSA-N 1 0 375.270 2.507 20 0 GFADRO COC(=O)CC[N@@H+]1CCN(Cc2ncc(Br)cc2Cl)[C@H](C)C1 ZINC000595422338 565476573 /nfs/dbraw/zinc/47/65/73/565476573.db2.gz LYICSVNUEATCEV-LLVKDONJSA-N 1 0 390.709 2.567 20 0 GFADRO O=C(NCC[NH2+]C[C@@H](O)COc1ccc(Cl)c(Cl)c1)c1cccs1 ZINC000644524180 565479881 /nfs/dbraw/zinc/47/98/81/565479881.db2.gz YKZPWQMPXDTELQ-LLVKDONJSA-N 1 0 389.304 2.814 20 0 GFADRO O[C@H](C[NH2+][C@H]1CCN(C2CCCC2)C1)COc1ccc(Br)cc1 ZINC000644549919 565481927 /nfs/dbraw/zinc/48/19/27/565481927.db2.gz NNUIXGYDANMEHF-DOTOQJQBSA-N 1 0 383.330 2.795 20 0 GFADRO O=c1[nH]c2c(cc1C[NH2+]C[C@H](O)COc1ccc(Br)cc1)CCC2 ZINC000644564197 565482009 /nfs/dbraw/zinc/48/20/09/565482009.db2.gz CDGIPNJQEUKMER-HNNXBMFYSA-N 1 0 393.281 2.568 20 0 GFADRO O[C@H](C[NH2+][C@@H]1CCN(C2CCCC2)C1)COc1ccc(Br)cc1 ZINC000644549923 565482030 /nfs/dbraw/zinc/48/20/30/565482030.db2.gz NNUIXGYDANMEHF-NVXWUHKLSA-N 1 0 383.330 2.795 20 0 GFADRO CC(C)(C)N1C[C@@H]([NH2+]C[C@@H](O)COc2cc(Cl)ccc2Cl)CC1=O ZINC000644581918 565482969 /nfs/dbraw/zinc/48/29/69/565482969.db2.gz XPDZBQNWFWYFAW-QWHCGFSZSA-N 1 0 375.296 2.722 20 0 GFADRO CCN(C(=O)NCc1cc(F)c(F)cc1Br)[C@H]1CC[N@H+](C)C1 ZINC000664886622 565483302 /nfs/dbraw/zinc/48/33/02/565483302.db2.gz KOMWKWNJNJRZML-NSHDSACASA-N 1 0 376.245 2.963 20 0 GFADRO COc1cc(CC[NH2+]C[C@H](O)COc2ccc(Br)cc2)ccc1O ZINC000644601924 565484068 /nfs/dbraw/zinc/48/40/68/565484068.db2.gz CTDYTEGZBPJDSP-HNNXBMFYSA-N 1 0 396.281 2.735 20 0 GFADRO O[C@H](C[NH2+][C@H]1CCO[C@]2(CCOC2)C1)COc1ccc(Cl)c(Cl)c1 ZINC000644613170 565485457 /nfs/dbraw/zinc/48/54/57/565485457.db2.gz MITFGTUXFOLMKD-OGHNNQOOSA-N 1 0 376.280 2.661 20 0 GFADRO O=C(Cc1noc2ccc(Br)cc21)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000644630293 565486086 /nfs/dbraw/zinc/48/60/86/565486086.db2.gz QOKVXAVGKVHFPT-CYBMUJFWSA-N 1 0 378.270 2.733 20 0 GFADRO CCC[N@H+](CC)C[C@H](C)NC(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000644656627 565487966 /nfs/dbraw/zinc/48/79/66/565487966.db2.gz HMCNKRYFGGAVQN-AWEZNQCLSA-N 1 0 386.945 2.883 20 0 GFADRO CC(C)(C[NH2+]C[C@@H](O)COc1ccc(Cl)c(Cl)c1)C1(O)CCOCC1 ZINC000644673222 565488649 /nfs/dbraw/zinc/48/86/49/565488649.db2.gz OBICZTNVYOPKHN-CYBMUJFWSA-N 1 0 392.323 2.890 20 0 GFADRO CC(C)(C)OC(=O)[C@]12COC[C@H]1CN(Cc1ncsc1Br)C2 ZINC000595720632 565488918 /nfs/dbraw/zinc/48/89/18/565488918.db2.gz NTMOREAYFBXESR-MEBBXXQBSA-N 1 0 389.315 2.696 20 0 GFADRO C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1cc3c(cc1Br)OCO3)C2 ZINC000623029724 565491359 /nfs/dbraw/zinc/49/13/59/565491359.db2.gz ULUKRHKUFFLECW-QGZVFWFLSA-N 1 0 381.270 2.736 20 0 GFADRO C[C@@]1(NC(=O)c2cc(Br)c[nH]c2=O)CC[N@H+](Cc2ccccc2)C1 ZINC000623030883 565491849 /nfs/dbraw/zinc/49/18/49/565491849.db2.gz GYOHEWOJNORLKW-GOSISDBHSA-N 1 0 390.281 2.944 20 0 GFADRO O=C(c1nc(C2CC2)ncc1Br)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000623066716 565493060 /nfs/dbraw/zinc/49/30/60/565493060.db2.gz NOVSDDDPJKDDSI-CHWSQXEVSA-N 1 0 379.302 2.578 20 0 GFADRO [NH3+]Cc1cc(=O)[nH]c(CN[C@H]2CCCCc3ccc(Br)cc32)n1 ZINC000665293201 565495915 /nfs/dbraw/zinc/49/59/15/565495915.db2.gz VJBSXPMVNIIHEP-HNNXBMFYSA-N 1 0 377.286 2.961 20 0 GFADRO [NH3+]Cc1cc(=O)[nH]c(CN[C@H]2CCc3c2cc(Br)cc3Cl)n1 ZINC000665291492 565495940 /nfs/dbraw/zinc/49/59/40/565495940.db2.gz CPFVQYPIFOMKPV-ZDUSSCGKSA-N 1 0 383.677 2.834 20 0 GFADRO COC(=O)CC[C@@H]([NH3+])C(=O)Nc1nnc(-c2cc(Cl)cc(Cl)c2)s1 ZINC000595939174 565501147 /nfs/dbraw/zinc/50/11/47/565501147.db2.gz GGKIAGFGEUMBFY-SNVBAGLBSA-N 1 0 389.264 2.731 20 0 GFADRO CC(C)(C)n1cc(Br)c(C(=O)N2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000665520113 565503253 /nfs/dbraw/zinc/50/32/53/565503253.db2.gz LQZFSLIJTUKLMQ-UHFFFAOYSA-N 1 0 392.301 2.758 20 0 GFADRO COC(=O)[C@H](NC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1Br ZINC000595970788 565503848 /nfs/dbraw/zinc/50/38/48/565503848.db2.gz NRUFGYXPNDLCJE-BHHCIPQWSA-N 1 0 395.297 2.700 20 0 GFADRO C[C@@H](CO)[C@@H](C)[NH2+]Cc1cc(Cl)cc(Cl)c1OCCN1CCOCC1 ZINC000623427816 565509292 /nfs/dbraw/zinc/50/92/92/565509292.db2.gz NZAUUZRCSCBJTO-UONOGXRCSA-N 1 0 391.339 2.811 20 0 GFADRO CC[NH+](CC)CCS(=O)(=O)N[C@@H](C)c1ccc(F)c(Br)c1 ZINC000645094201 565512592 /nfs/dbraw/zinc/51/25/92/565512592.db2.gz FPOKZOQWWBZMOP-NSHDSACASA-N 1 0 381.311 2.910 20 0 GFADRO Cn1nc2cc(Br)ccc2c1C(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000645111590 565513511 /nfs/dbraw/zinc/51/35/11/565513511.db2.gz AZAYYXRLHFVSBQ-DOMZBBRYSA-N 1 0 391.313 2.940 20 0 GFADRO COc1ccc(Br)cc1C1(NC(=O)NC[C@H]2CCC[N@@H+]2C)CC1 ZINC000645213856 565517113 /nfs/dbraw/zinc/51/71/13/565517113.db2.gz LBBVLTMUKODIJH-CYBMUJFWSA-N 1 0 382.302 2.840 20 0 GFADRO C[NH+](C)CC(C)(C)NC(=O)NCc1noc(-c2cccc(Br)c2)n1 ZINC000665930983 565517250 /nfs/dbraw/zinc/51/72/50/565517250.db2.gz ABDGNAUAXSBJIJ-UHFFFAOYSA-N 1 0 396.289 2.639 20 0 GFADRO C[C@H]1C[C@@H]([NH2+]Cc2cc(Cl)cc(Cl)c2OCCN2CCOCC2)CO1 ZINC000623558970 565517644 /nfs/dbraw/zinc/51/76/44/565517644.db2.gz ONVRGEUEBILCTO-XJKSGUPXSA-N 1 0 389.323 2.971 20 0 GFADRO Cn1nnc2c1CC[C@H]([NH2+]Cc1c[nH]nc1-c1ccc(Br)s1)C2 ZINC000623561077 565518258 /nfs/dbraw/zinc/51/82/58/565518258.db2.gz ADBYAZDZIQZTRG-JTQLQIEISA-N 1 0 393.314 2.676 20 0 GFADRO CCCOc1c(Br)cc(C[NH2+][C@H]2C[C@H](C(N)=O)C2)cc1OCC ZINC000623664276 565523926 /nfs/dbraw/zinc/52/39/26/565523926.db2.gz ZTOORDFRMPLWNK-JOCQHMNTSA-N 1 0 385.302 2.990 20 0 GFADRO Cc1cc(Br)c(CNC(=O)Nc2cnn(CC[NH+](C)C)c2)s1 ZINC000666238999 565528239 /nfs/dbraw/zinc/52/82/39/565528239.db2.gz MKGFSZDSHNNSDR-UHFFFAOYSA-N 1 0 386.319 2.899 20 0 GFADRO CCOc1ccc(Br)cc1S(=O)(=O)NCC[N@H+](C)[C@H](C)CC ZINC000596615095 565529700 /nfs/dbraw/zinc/52/97/00/565529700.db2.gz HCPZFJJQQOUDJI-GFCCVEGCSA-N 1 0 393.347 2.856 20 0 GFADRO Brc1ccc(C[NH2+]C[C@@H]2CN(Cc3ccncc3)CCO2)cc1 ZINC000623780613 565530324 /nfs/dbraw/zinc/53/03/24/565530324.db2.gz RDEWEUQUEYNXHA-GOSISDBHSA-N 1 0 376.298 2.835 20 0 GFADRO CCn1ccnc1[C@H](N[C@@H](C)C[NH2+]C)c1ccc(I)cc1 ZINC000596652016 565530718 /nfs/dbraw/zinc/53/07/18/565530718.db2.gz FDBHATKDNRALRZ-SWLSCSKDSA-N 1 0 398.292 2.795 20 0 GFADRO O=C1[C@H]([NH2+]Cc2cc(Br)c3c(c2)OCCCO3)CCN1C1CCC1 ZINC000623840376 565532572 /nfs/dbraw/zinc/53/25/72/565532572.db2.gz XZJSHBFACPSWRQ-OAHLLOKOSA-N 1 0 395.297 2.853 20 0 GFADRO O=S(=O)(CC[NH2+][C@H]1CCc2cc(F)c(Cl)cc21)NC[C@H]1CCCCO1 ZINC000623913702 565535081 /nfs/dbraw/zinc/53/50/81/565535081.db2.gz YMZGRERIJCKNCF-DYVFJYSZSA-N 1 0 390.908 2.545 20 0 GFADRO C[C@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+]C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000623923790 565536029 /nfs/dbraw/zinc/53/60/29/565536029.db2.gz LOGZRCDJHUKVEG-GHMZBOCLSA-N 1 0 399.866 2.556 20 0 GFADRO C[C@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+]C[C@H]1CCCN1S(C)(=O)=O ZINC000623923924 565536632 /nfs/dbraw/zinc/53/66/32/565536632.db2.gz OMIBPHFAKKUGFG-ZYHUDNBSSA-N 1 0 399.866 2.698 20 0 GFADRO O=C(NCCCC[NH+]1CCOCC1)c1c(Cl)cccc1Br ZINC000666469603 565539133 /nfs/dbraw/zinc/53/91/33/565539133.db2.gz FTDIFRIOSZCNTJ-UHFFFAOYSA-N 1 0 375.694 2.945 20 0 GFADRO COc1cccc([C@H](C[NH2+][C@@H](C)Cn2cc(Br)ccc2=O)OC)c1 ZINC000624032681 565540070 /nfs/dbraw/zinc/54/00/70/565540070.db2.gz VNXBGDFGWCZSOD-GUYCJALGSA-N 1 0 395.297 2.985 20 0 GFADRO CCC[C@@H](C[NH2+][C@H](C)c1ccc(Br)c(S(N)(=O)=O)c1)OCC ZINC000624051273 565540162 /nfs/dbraw/zinc/54/01/62/565540162.db2.gz YABVKFZOEWUNIA-YPMHNXCESA-N 1 0 393.347 2.952 20 0 GFADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)NCc3ccc(Cl)c(Cl)c3)CC2)C1 ZINC000666542502 565541395 /nfs/dbraw/zinc/54/13/95/565541395.db2.gz VXACBWGBLNVAAV-HNNXBMFYSA-N 1 0 385.339 2.915 20 0 GFADRO C[C@@]([NH3+])(C(=O)Nc1cnn(C[C@@H]2CCCO2)c1)c1ccc(Br)cc1 ZINC000645580745 565541512 /nfs/dbraw/zinc/54/15/12/565541512.db2.gz ARZIZUDXWWCIBY-RDJZCZTQSA-N 1 0 393.285 2.637 20 0 GFADRO CC(C)CC[C@@H](CO)[NH2+][C@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000624111134 565543623 /nfs/dbraw/zinc/54/36/23/565543623.db2.gz OCPDMBFPGGKPNT-YPMHNXCESA-N 1 0 393.347 2.544 20 0 GFADRO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)C(=O)Nc2cc(Cl)c(Cl)cc2Cl)C1 ZINC000645622944 565544658 /nfs/dbraw/zinc/54/46/58/565544658.db2.gz OBWSBWNHNOGQLY-SDBXPKJASA-N 1 0 376.671 2.748 20 0 GFADRO O=C(NCCCC[NH+]1CCOCC1)c1ccc(Br)c(F)c1F ZINC000624176063 565546757 /nfs/dbraw/zinc/54/67/57/565546757.db2.gz BNACHLUKQUGIPE-UHFFFAOYSA-N 1 0 377.229 2.570 20 0 GFADRO COc1ncc(S(=O)(=O)N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1Cl ZINC000645645623 565547295 /nfs/dbraw/zinc/54/72/95/565547295.db2.gz FRUCASRSFUPCRI-STQMWFEESA-N 1 0 387.933 2.675 20 0 GFADRO COc1ncc(Br)cc1CNC(=O)NC1CCC([NH+](C)C)CC1 ZINC000624230920 565548889 /nfs/dbraw/zinc/54/88/89/565548889.db2.gz KVKLQKWMHUWUGQ-UHFFFAOYSA-N 1 0 385.306 2.525 20 0 GFADRO Cn1cc(Br)c(=O)c(NC(=O)NCCCCC[NH+]2CCCCC2)c1 ZINC000666690736 565549057 /nfs/dbraw/zinc/54/90/57/565549057.db2.gz ODWXYIVCXBLOGD-UHFFFAOYSA-N 1 0 399.333 2.926 20 0 GFADRO C[C@H]([NH2+]CC(=O)Nc1ccc2c(c1)OCCO2)c1cncc(Br)c1 ZINC000624262884 565549704 /nfs/dbraw/zinc/54/97/04/565549704.db2.gz YWKHOBQXIQVZFB-NSHDSACASA-N 1 0 392.253 2.905 20 0 GFADRO CC[NH2+]CC1CCN(S(=O)(=O)c2cc(F)c(Br)cc2C)CC1 ZINC000624357588 565552549 /nfs/dbraw/zinc/55/25/49/565552549.db2.gz YJVMUQQVIDLERP-UHFFFAOYSA-N 1 0 393.322 2.907 20 0 GFADRO CCCN(CC[NH+]1CCCCC1)S(=O)(=O)c1cnc(OC)c(Cl)c1 ZINC000645714109 565553877 /nfs/dbraw/zinc/55/38/77/565553877.db2.gz WEBKUZXAEUFITB-UHFFFAOYSA-N 1 0 375.922 2.630 20 0 GFADRO Cc1cc(S(=O)(=O)N2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)sc1Cl ZINC000624391909 565554938 /nfs/dbraw/zinc/55/49/38/565554938.db2.gz GHKQBOKGGPCIDW-RKDXNWHRSA-N 1 0 376.853 2.858 20 0 GFADRO C[C@H](CNC(=O)[C@@H]1CCO[C@H]1c1cncc(Br)c1)C[NH+]1CCCC1 ZINC000666756383 565555779 /nfs/dbraw/zinc/55/57/79/565555779.db2.gz RAUHUCJMXMVMTI-XYPHTWIQSA-N 1 0 396.329 2.770 20 0 GFADRO C[NH2+]CCOCCN(C)S(=O)(=O)c1c(C)sc2ccc(Cl)cc21 ZINC000624396829 565555908 /nfs/dbraw/zinc/55/59/08/565555908.db2.gz FVMLBGYYFWWWJX-UHFFFAOYSA-N 1 0 376.931 2.720 20 0 GFADRO [NH3+]CC1(NS(=O)(=O)c2cccc(Sc3ccccc3)c2)CCOCC1 ZINC000624402074 565555916 /nfs/dbraw/zinc/55/59/16/565555916.db2.gz CLNHKGGLOIISHN-UHFFFAOYSA-N 1 0 378.519 2.624 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)C(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000645820062 565565186 /nfs/dbraw/zinc/56/51/86/565565186.db2.gz PBBIOUPKHFJVAK-GOSISDBHSA-N 1 0 394.313 2.640 20 0 GFADRO COc1cc(Br)c(NC(=O)[C@@H]2CCc3nc[nH]c3C2)cc1OC ZINC000667044933 565566601 /nfs/dbraw/zinc/56/66/01/565566601.db2.gz VBCIUTWFJGDMIC-SECBINFHSA-N 1 0 380.242 2.933 20 0 GFADRO CC(C)S(=O)(=O)c1c(Cl)cccc1NC(=O)NCC[C@H](C)[NH+](C)C ZINC000667050641 565567361 /nfs/dbraw/zinc/56/73/61/565567361.db2.gz IXIAFMMABVOSAJ-LBPRGKRZSA-N 1 0 375.922 2.984 20 0 GFADRO CC[C@@H]1C[N@H+](C)CCCN1C(=O)c1ccc(I)cc1F ZINC000597606099 565567714 /nfs/dbraw/zinc/56/77/14/565567714.db2.gz UQAGTCSGSVMEDC-GFCCVEGCSA-N 1 0 390.240 2.987 20 0 GFADRO COc1ncc(Br)cc1CNC(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000624632883 565568741 /nfs/dbraw/zinc/56/87/41/565568741.db2.gz RQRFEYNJAXPUOK-OAHLLOKOSA-N 1 0 397.317 2.623 20 0 GFADRO C[C@H]1C[C@H](NC(=O)N(CC[NH+](C)C)Cc2ccc(Br)cc2)CO1 ZINC000645890944 565571765 /nfs/dbraw/zinc/57/17/65/565571765.db2.gz GTYJSZIMYHENDS-BBRMVZONSA-N 1 0 384.318 2.700 20 0 GFADRO C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1ccccc1I)C2 ZINC000597714233 565572015 /nfs/dbraw/zinc/57/20/15/565572015.db2.gz HHRUXGUEFSCCAU-INIZCTEOSA-N 1 0 384.261 2.849 20 0 GFADRO [NH3+]C/C=C/CNC(=O)Nc1ccc(CCn2cc(Br)cn2)cc1 ZINC000667134445 565572547 /nfs/dbraw/zinc/57/25/47/565572547.db2.gz ASFIGKWQOPSALG-OWOJBTEDSA-N 1 0 378.274 2.525 20 0 GFADRO COCC[C@@H](NC(=O)NC[C@H]1COCCN1C)c1ccc(Cl)c(Cl)c1 ZINC000624731396 565573309 /nfs/dbraw/zinc/57/33/09/565573309.db2.gz JPIKHIXDXNICLS-XJKSGUPXSA-N 1 0 390.311 2.701 20 0 GFADRO O=C(NCC1C[NH2+]C1)Nc1ccc(Br)cc1-c1nc(C2CC2)no1 ZINC000667162054 565573712 /nfs/dbraw/zinc/57/37/12/565573712.db2.gz VVELSQLKJSVKTL-UHFFFAOYSA-N 1 0 392.257 2.717 20 0 GFADRO COc1ccc(Br)cc1C1([NH2+]CCCCS(C)(=O)=O)CC1 ZINC000645974249 565579366 /nfs/dbraw/zinc/57/93/66/565579366.db2.gz DNMMDICWEDIQOW-UHFFFAOYSA-N 1 0 376.316 2.861 20 0 GFADRO CC(C)[NH2+]CCCNC(=O)C(=O)Nc1cc(Cl)cc(Br)c1 ZINC000667302509 565581161 /nfs/dbraw/zinc/58/11/61/565581161.db2.gz XEFXGLAJCOCKLT-UHFFFAOYSA-N 1 0 376.682 2.545 20 0 GFADRO CCN(C(=O)c1cc(I)ccc1F)[C@@H]1CC[N@H+](C)C1 ZINC000597947406 565583932 /nfs/dbraw/zinc/58/39/32/565583932.db2.gz XYIJBVYZVALKGW-LLVKDONJSA-N 1 0 376.213 2.597 20 0 GFADRO CC[C@@H](C)[N@H+](C)CCNS(=O)(=O)c1c(OC)cccc1OC(F)(F)F ZINC000624954974 565585187 /nfs/dbraw/zinc/58/51/87/565585187.db2.gz AGHVOBOLLAYUEM-LLVKDONJSA-N 1 0 384.420 2.602 20 0 GFADRO COc1cc(OC)c(NC(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)cc1Br ZINC000667436307 565586320 /nfs/dbraw/zinc/58/63/20/565586320.db2.gz WDDIOTXBRPBCFO-ZWNOBZJWSA-N 1 0 384.274 2.682 20 0 GFADRO O=C(Nc1ccnn1Cc1ccc(Br)cc1)N[C@H]1CCC[NH2+]CC1 ZINC000667428665 565586750 /nfs/dbraw/zinc/58/67/50/565586750.db2.gz NRZLBQLUQDSQIH-HNNXBMFYSA-N 1 0 392.301 2.958 20 0 GFADRO O=C(Nc1ccnn1Cc1cccc(Br)c1)N[C@@H]1CCC[NH2+]CC1 ZINC000667432204 565586940 /nfs/dbraw/zinc/58/69/40/565586940.db2.gz LKGWXKMENGBUJH-OAHLLOKOSA-N 1 0 392.301 2.958 20 0 GFADRO Cc1cc(Br)c(F)cc1S(=O)(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000625031980 565591451 /nfs/dbraw/zinc/59/14/51/565591451.db2.gz IAWYZZQLNWVVFP-NEPJUHHUSA-N 1 0 391.306 2.754 20 0 GFADRO [NH3+][C@@H]1CCC[C@H](CNC(=O)Nc2ccnn2-c2ccc(Br)cn2)C1 ZINC000667517404 565592404 /nfs/dbraw/zinc/59/24/04/565592404.db2.gz GPHMMVURVNWVCZ-WCQYABFASA-N 1 0 393.289 2.669 20 0 GFADRO CC(C)[C@H]1CN(C(=O)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC[NH2+]1 ZINC000667519623 565592576 /nfs/dbraw/zinc/59/25/76/565592576.db2.gz VUZYBEMTDYXEED-CYBMUJFWSA-N 1 0 377.794 2.754 20 0 GFADRO C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)Nc1ccc2nccnc2c1Br ZINC000667590688 565595316 /nfs/dbraw/zinc/59/53/16/565595316.db2.gz KZEMTORLQROEOK-SKDRFNHKSA-N 1 0 394.273 2.627 20 0 GFADRO C[C@@H]1COCC[N@@H+]1C1CCN(C(=O)c2cc(Br)ccc2F)CC1 ZINC000646320179 565596321 /nfs/dbraw/zinc/59/63/21/565596321.db2.gz WWWGIRPQTMEFHG-GFCCVEGCSA-N 1 0 385.277 2.914 20 0 GFADRO COc1ccc(Br)cc1C(=O)CCC(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000646338429 565597845 /nfs/dbraw/zinc/59/78/45/565597845.db2.gz MEGJAKCKTIONCM-SWLSCSKDSA-N 1 0 395.297 2.631 20 0 GFADRO CC(C)(CCC[NH3+])NC(=O)C(=O)Nc1ccccc1SCC(F)(F)F ZINC000667632546 565598067 /nfs/dbraw/zinc/59/80/67/565598067.db2.gz PNOGZLQJYNPPBI-UHFFFAOYSA-N 1 0 377.432 2.913 20 0 GFADRO C[N@@H+]1CCC[C@H]1[C@H]1COCCN1C(=O)CSc1cccc(Br)c1 ZINC000646446125 565603697 /nfs/dbraw/zinc/60/36/97/565603697.db2.gz XZBFKXQIFFLSBO-JKSUJKDBSA-N 1 0 399.354 2.863 20 0 GFADRO CN1CC[NH+](CC2CN(C(=O)[C@@H]3C[C@@H]3c3cc(Cl)cc(Cl)c3)C2)CC1 ZINC000646460787 565603838 /nfs/dbraw/zinc/60/38/38/565603838.db2.gz LDSHRALOXONIHX-QZTJIDSGSA-N 1 0 382.335 2.803 20 0 GFADRO C[C@H](C(=O)N1CCOC[C@H]1[C@H]1CCC[N@@H+]1C)c1ccc(Br)s1 ZINC000646447200 565604190 /nfs/dbraw/zinc/60/41/90/565604190.db2.gz RIMBNFCBMSYBDX-XQQFMLRXSA-N 1 0 387.343 2.936 20 0 GFADRO COc1cc(Br)ccc1CNC(=O)Nc1cnc2c(c1)C[NH2+]CC2 ZINC000667802889 565606518 /nfs/dbraw/zinc/60/65/18/565606518.db2.gz ATVQKIHKNALFFU-UHFFFAOYSA-N 1 0 391.269 2.820 20 0 GFADRO O=C(NCCc1cccc(Br)c1)Nc1cnc2c(c1)C[NH2+]CC2 ZINC000667800917 565606783 /nfs/dbraw/zinc/60/67/83/565606783.db2.gz SIYHNJNVJNGLTC-UHFFFAOYSA-N 1 0 375.270 2.854 20 0 GFADRO CCCN(C(=O)[C@@H]1CCN(c2cc(Cl)ccc2Cl)C1=O)[C@@H]1CC[NH2+]C1 ZINC000646698848 565614276 /nfs/dbraw/zinc/61/42/76/565614276.db2.gz BCGIYMBDUACLBJ-KGLIPLIRSA-N 1 0 384.307 2.947 20 0 GFADRO C[C@@H]1CCCN(C(=O)CNC(=O)c2sc3ccccc3c2Cl)[C@@H]1C[NH3+] ZINC000646772726 565617844 /nfs/dbraw/zinc/61/78/44/565617844.db2.gz WBCYANJAZCOJBJ-DGCLKSJQSA-N 1 0 379.913 2.870 20 0 GFADRO C[C@@H]([NH2+]C[C@@H](O)CC1(O)CCC1)c1cc2c(cc1Br)OCCO2 ZINC000625291925 565617890 /nfs/dbraw/zinc/61/78/90/565617890.db2.gz ZCVCRMXMUINWIE-NEPJUHHUSA-N 1 0 386.286 2.537 20 0 GFADRO Cn1nc2cc(Br)ccc2c1C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000646788412 565618795 /nfs/dbraw/zinc/61/87/95/565618795.db2.gz AHEAHMUNENSAIG-UHFFFAOYSA-N 1 0 391.313 2.940 20 0 GFADRO CC[N@H+](CCO)CCNC(=O)Nc1cc(OC)c(Br)cc1Cl ZINC000668035581 565620924 /nfs/dbraw/zinc/62/09/24/565620924.db2.gz PJTVMBLLVVZWOJ-UHFFFAOYSA-N 1 0 394.697 2.547 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CN(C(=O)CCCCOc2ccc(Br)cc2)CCO1 ZINC000646844842 565623141 /nfs/dbraw/zinc/62/31/41/565623141.db2.gz BQCJYRGPFZOKKQ-CJNGLKHVSA-N 1 0 385.302 2.573 20 0 GFADRO O=C(c1cc2cc(Br)sc2[nH]1)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000646870540 565624291 /nfs/dbraw/zinc/62/42/91/565624291.db2.gz YKRTUGLHJWMIRN-LLVKDONJSA-N 1 0 398.326 2.786 20 0 GFADRO Cc1c(Br)c2ccccc2n1CC(=O)N1CC[C@@H]2C[N@@H+](C)C[C@H]21 ZINC000646917890 565625070 /nfs/dbraw/zinc/62/50/70/565625070.db2.gz JLNYGBROTIEWGW-CZUORRHYSA-N 1 0 376.298 2.875 20 0 GFADRO CC(=O)NCCN(Cc1ccc(Cl)cc1Cl)C[C@@H](O)CC1(O)CCC1 ZINC000625397357 565625682 /nfs/dbraw/zinc/62/56/82/565625682.db2.gz LHGMLEXBZVSSNY-INIZCTEOSA-N 1 0 389.323 2.598 20 0 GFADRO COc1c[nH+]ccc1N1CCN(Cc2c(F)cncc2Br)CC1 ZINC000668096498 565626545 /nfs/dbraw/zinc/62/65/45/565626545.db2.gz JWFPQHPHDZPEMQ-UHFFFAOYSA-N 1 0 381.249 2.709 20 0 GFADRO Cc1ccc(Br)cc1S(=O)(=O)NC[C@@H]1CCCC[N@@H+](C)C1 ZINC000625420711 565628635 /nfs/dbraw/zinc/62/86/35/565628635.db2.gz QBQDBMFUUUCVNT-ZDUSSCGKSA-N 1 0 375.332 2.768 20 0 GFADRO CC[C@H](C[NH+]1CCCC1)NS(=O)(=O)c1cc(Cl)c(OC)cc1OC ZINC000668150573 565629175 /nfs/dbraw/zinc/62/91/75/565629175.db2.gz YHYDQOMZMWYRQG-GFCCVEGCSA-N 1 0 376.906 2.510 20 0 GFADRO [NH3+][C@@]12CCC[C@@H]1CN(C(=O)c1ccc(Cl)c(I)c1)C2 ZINC000598669683 565633988 /nfs/dbraw/zinc/63/39/88/565633988.db2.gz MLQFKVOBVABIEH-QMTHXVAHSA-N 1 0 390.652 2.898 20 0 GFADRO O=C(CCNc1ncc(C(F)(F)F)cc1Cl)N[C@@H]1CC12CC[NH2+]CC2 ZINC000647054991 565634603 /nfs/dbraw/zinc/63/46/03/565634603.db2.gz HBRLDGBZXAZIBB-GFCCVEGCSA-N 1 0 376.810 2.814 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000647055190 565634750 /nfs/dbraw/zinc/63/47/50/565634750.db2.gz OIPUMCPCALGCKI-INIZCTEOSA-N 1 0 389.297 2.815 20 0 GFADRO O=C(N[C@@H]1C[NH2+]CCC1(F)F)c1cnn(-c2ccc(Cl)cc2Cl)c1 ZINC000647075973 565635601 /nfs/dbraw/zinc/63/56/01/565635601.db2.gz FWMINOPCVYAXJU-CYBMUJFWSA-N 1 0 375.206 2.906 20 0 GFADRO CC[C@@H]([NH3+])CNC(=O)c1nn(-c2ccc(Br)cc2)c2c1CCCC2 ZINC000647069351 565635695 /nfs/dbraw/zinc/63/56/95/565635695.db2.gz YPMVWOJJNVHBSG-CYBMUJFWSA-N 1 0 391.313 2.981 20 0 GFADRO C[C@@H](CC(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1)n1cc(Br)cn1 ZINC000647089509 565636538 /nfs/dbraw/zinc/63/65/38/565636538.db2.gz GFMLNWPVOLEFQV-KNXALSJPSA-N 1 0 395.276 2.689 20 0 GFADRO O=C(NCc1n[nH]cc1Br)[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000668264995 565637454 /nfs/dbraw/zinc/63/74/54/565637454.db2.gz UIJCEDYHQPYYDY-HNNXBMFYSA-N 1 0 391.313 2.743 20 0 GFADRO CCN(C(=O)C(=O)NCCc1ccc(Cl)cc1Cl)[C@H]1CC[N@H+](CC)C1 ZINC000668343381 565640588 /nfs/dbraw/zinc/64/05/88/565640588.db2.gz SRBSJUBBESKYIU-HNNXBMFYSA-N 1 0 386.323 2.595 20 0 GFADRO O=C1[C@@H](c2nc([C@@H]3CCC[NH2+]3)no2)CCN1c1cccc(Br)c1 ZINC000647152390 565641922 /nfs/dbraw/zinc/64/19/22/565641922.db2.gz DDZYVMIEMXRSPM-OLZOCXBDSA-N 1 0 377.242 2.777 20 0 GFADRO O[C@H](C[NH2+]Cc1cc(OC(F)F)ccc1Br)COCC1CC1 ZINC000647176874 565645065 /nfs/dbraw/zinc/64/50/65/565645065.db2.gz CBLFEGYHYOCVSC-GFCCVEGCSA-N 1 0 380.229 2.928 20 0 GFADRO COC[C@H](CC[NH2+]Cc1cc(Br)cc(Br)c1N)OC ZINC000668450264 565647025 /nfs/dbraw/zinc/64/70/25/565647025.db2.gz UDQCXYHMSDJBQT-NSHDSACASA-N 1 0 396.123 2.935 20 0 GFADRO O=S(=O)(Cc1ccc(Cl)cc1Br)NCC[C@@H]1CCC[NH2+]C1 ZINC000647219244 565647342 /nfs/dbraw/zinc/64/73/42/565647342.db2.gz OXGAEWFXMOPJOP-NSHDSACASA-N 1 0 395.750 2.912 20 0 GFADRO OC[C@@H]([NH2+]Cc1cc(OC(F)F)ccc1Br)[C@@H]1CCCOC1 ZINC000647218126 565647651 /nfs/dbraw/zinc/64/76/51/565647651.db2.gz WSFBCSDDOWQHLB-QMTHXVAHSA-N 1 0 380.229 2.928 20 0 GFADRO O=S(=O)(c1ccc(C(F)(F)F)c(F)c1)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000647238892 565648612 /nfs/dbraw/zinc/64/86/12/565648612.db2.gz XRYVTHNLVCJALX-IAQYHMDHSA-N 1 0 380.407 2.997 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H](NS(=O)(=O)Cc2ccc(Br)cc2Cl)C1 ZINC000647259614 565649127 /nfs/dbraw/zinc/64/91/27/565649127.db2.gz FQMYOSLOXTZJNP-VXGBXAGGSA-N 1 0 381.723 2.792 20 0 GFADRO CC1([NH3+])CCN(S(=O)(=O)Cc2ccc(Cl)cc2Br)CC1 ZINC000647254641 565649765 /nfs/dbraw/zinc/64/97/65/565649765.db2.gz FRRCGUJPPIDPTE-UHFFFAOYSA-N 1 0 381.723 2.746 20 0 GFADRO O=S(=O)(c1csc(-c2ccc(Cl)cc2)n1)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000647263497 565650389 /nfs/dbraw/zinc/65/03/89/565650389.db2.gz KAGIZWPVDSIXGW-RISCZKNCSA-N 1 0 383.926 2.836 20 0 GFADRO CC[C@@H]1CN(S(=O)(=O)c2cnn(-c3ccc(Cl)cc3)c2C)CC[C@@H]1[NH3+] ZINC000647269483 565651495 /nfs/dbraw/zinc/65/14/95/565651495.db2.gz UDOUHSZPDPOWRJ-CJNGLKHVSA-N 1 0 382.917 2.582 20 0 GFADRO C[C@@H]1C[NH2+]CC[C@@H]1NS(=O)(=O)Cc1ccc(Br)cc1Cl ZINC000647287289 565653841 /nfs/dbraw/zinc/65/38/41/565653841.db2.gz YXDFBGBYXQDALP-RNCFNFMXSA-N 1 0 381.723 2.520 20 0 GFADRO COC(=O)CC1CCC([NH2+]CCNC(=O)c2ccc(Br)cc2)CC1 ZINC000599025884 565654384 /nfs/dbraw/zinc/65/43/84/565654384.db2.gz SPJFGWDMCLVMRC-UHFFFAOYSA-N 1 0 397.313 2.890 20 0 GFADRO COC(=O)C1CC[NH+](CCCNC(=O)Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000599073830 565655171 /nfs/dbraw/zinc/65/51/71/565655171.db2.gz SXDWHXGDDSCJIY-UHFFFAOYSA-N 1 0 387.307 2.927 20 0 GFADRO C[C@@H]([NH2+]CC(=O)Nc1ccc(I)cc1)[C@@H]1CCCCO1 ZINC000599049346 565655695 /nfs/dbraw/zinc/65/56/95/565655695.db2.gz VLEJPYPQFHADDX-RISCZKNCSA-N 1 0 388.249 2.777 20 0 GFADRO Cc1nnc(CC(=O)N[C@H]2CCCN(Cc3ccc(F)cc3Cl)C2)s1 ZINC000668573715 565656070 /nfs/dbraw/zinc/65/60/70/565656070.db2.gz HDMPFFDIJRIHIP-AWEZNQCLSA-N 1 0 382.892 2.962 20 0 GFADRO O=S(=O)(c1c(F)c(F)cc(F)c1F)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647308063 565656574 /nfs/dbraw/zinc/65/65/74/565656574.db2.gz JREHCNUXTHJTDZ-GHMZBOCLSA-N 1 0 380.407 2.643 20 0 GFADRO O=S(=O)(c1c(F)c(F)cc(F)c1F)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647308064 565656956 /nfs/dbraw/zinc/65/69/56/565656956.db2.gz JREHCNUXTHJTDZ-MNOVXSKESA-N 1 0 380.407 2.643 20 0 GFADRO COC(=O)CCNC(=O)CC[NH2+][C@H](C)c1cc2cc(Br)ccc2o1 ZINC000599090259 565656902 /nfs/dbraw/zinc/65/69/02/565656902.db2.gz ZXQHTLCDYGCEBH-LLVKDONJSA-N 1 0 397.269 2.915 20 0 GFADRO C[C@H]1CCN(S(=O)(=O)Cc2ccc(Br)cc2Cl)C[C@@H]1C[NH3+] ZINC000647325106 565657900 /nfs/dbraw/zinc/65/79/00/565657900.db2.gz WBAZSOSMAQXCNV-JQWIXIFHSA-N 1 0 395.750 2.849 20 0 GFADRO CN(CC(=O)Nc1ccccc1Cl)C(=O)C[N@@H+]1CC[C@H]2CC[C@@H](C1)S2 ZINC000625772938 565658344 /nfs/dbraw/zinc/65/83/44/565658344.db2.gz NTGZPALQPRWTEJ-KGLIPLIRSA-N 1 0 381.929 2.707 20 0 GFADRO C[C@H]([NH2+][C@H]1CCS[C@H]1C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000647360111 565659191 /nfs/dbraw/zinc/65/91/91/565659191.db2.gz QGONLWJUMOEAIZ-AUTRQRHGSA-N 1 0 379.345 2.641 20 0 GFADRO CCCCCNC(=O)C[NH2+][C@@]1(CO)CCc2cc(Br)ccc2C1 ZINC000625795404 565660628 /nfs/dbraw/zinc/66/06/28/565660628.db2.gz UTULDNHEWZOXGN-SFHVURJKSA-N 1 0 383.330 2.565 20 0 GFADRO OC[C@@]1([NH2+]CCO[C@@H]2CCCCO2)CCc2cc(Br)ccc2C1 ZINC000625796690 565660970 /nfs/dbraw/zinc/66/09/70/565660970.db2.gz LDSIWDKEWGLGJT-QZTJIDSGSA-N 1 0 384.314 2.802 20 0 GFADRO C[C@H](NC(=O)c1cc(Br)cc2c1OCCO2)C1CC[NH+](C)CC1 ZINC000668701524 565662413 /nfs/dbraw/zinc/66/24/13/565662413.db2.gz QDPHAFTVNWSZGN-NSHDSACASA-N 1 0 383.286 2.680 20 0 GFADRO CCOc1c(Br)cc(Cl)cc1NC(=O)NCCOCCC[NH3+] ZINC000625843544 565662788 /nfs/dbraw/zinc/66/27/88/565662788.db2.gz XWKXZIZFTJVTGX-UHFFFAOYSA-N 1 0 394.697 2.988 20 0 GFADRO O=S(=O)(CC[NH2+]Cc1ccc(CO)cc1)c1cccc(Br)c1 ZINC000647523067 565662813 /nfs/dbraw/zinc/66/28/13/565662813.db2.gz LWCQPOCOQIEJPH-UHFFFAOYSA-N 1 0 384.295 2.505 20 0 GFADRO [NH3+]C1(CNC(=O)Nc2ccc(Cl)cc2OCC(F)(F)F)CCOCC1 ZINC000625861286 565663274 /nfs/dbraw/zinc/66/32/74/565663274.db2.gz LNVBYXTUBGHDRX-UHFFFAOYSA-N 1 0 381.782 2.911 20 0 GFADRO CCCN(C(=O)C(=O)N(C)Cc1cc(Cl)cc(Cl)c1)[C@@H]1CC[N@H+](C)C1 ZINC000647568657 565663503 /nfs/dbraw/zinc/66/35/03/565663503.db2.gz QNVYPYKBLYGSQI-MRXNPFEDSA-N 1 0 386.323 2.895 20 0 GFADRO C[C@@H]1CC[C@@H](NC(=O)Nc2cnn(-c3ccccc3Br)c2)C[NH2+]1 ZINC000625872640 565663598 /nfs/dbraw/zinc/66/35/98/565663598.db2.gz WTJZCKNGSHZOBV-VXGBXAGGSA-N 1 0 378.274 2.897 20 0 GFADRO COc1c(Br)cc(Cl)cc1NC(=O)N(C)CCOCC[NH3+] ZINC000625858740 565663846 /nfs/dbraw/zinc/66/38/46/565663846.db2.gz OWPDWRRCFONMRT-UHFFFAOYSA-N 1 0 380.670 2.550 20 0 GFADRO CC[C@H]([NH2+]CCC(=O)Nc1cc(OC)c(Cl)cc1OC)[C@H](O)C(F)F ZINC000647536712 565664057 /nfs/dbraw/zinc/66/40/57/565664057.db2.gz YJOVPUQMTWYZQD-BONVTDFDSA-N 1 0 380.819 2.680 20 0 GFADRO C[C@@H]1CC[C@@H](NC(=O)Nc2ccnn2Cc2ccccc2Br)C[NH2+]1 ZINC000625880633 565664511 /nfs/dbraw/zinc/66/45/11/565664511.db2.gz GPFDAZLFUHZOSM-TZMCWYRMSA-N 1 0 392.301 2.956 20 0 GFADRO C[NH2+]CCOCCN(C)C(=O)Nc1nc2c(cccc2Br)s1 ZINC000625888122 565664925 /nfs/dbraw/zinc/66/49/25/565664925.db2.gz NKHMDMFCFBOGHG-UHFFFAOYSA-N 1 0 387.303 2.759 20 0 GFADRO [NH3+]CC[C@@H](NC(=O)N1CCc2cc(F)cc(Br)c2C1)C(F)(F)F ZINC000625898597 565665315 /nfs/dbraw/zinc/66/53/15/565665315.db2.gz VUGUMFNLNAFWAY-GFCCVEGCSA-N 1 0 398.198 2.936 20 0 GFADRO Cc1cc(C(=O)N2CCC[C@@](O)(C[NH+](C)C)C2)cc(Cl)c1Br ZINC000647625259 565666937 /nfs/dbraw/zinc/66/69/37/565666937.db2.gz ZIKUFJFZSSUTFU-MRXNPFEDSA-N 1 0 389.721 2.940 20 0 GFADRO COc1cc(CN2CCC(C)([NH+]3CCOCC3)CC2)c(Br)cn1 ZINC000625960577 565667100 /nfs/dbraw/zinc/66/71/00/565667100.db2.gz NKDUQRQLLZAVFK-UHFFFAOYSA-N 1 0 384.318 2.539 20 0 GFADRO C[NH+](C)C[C@H](NCc1coc(S(N)(=O)=O)c1)c1ccc(Cl)c(Cl)c1 ZINC000625982709 565668657 /nfs/dbraw/zinc/66/86/57/565668657.db2.gz NMCJLKTXCKSIFJ-AWEZNQCLSA-N 1 0 392.308 2.626 20 0 GFADRO C[C@H]1C[C@@H](c2ccc(Br)cc2)C[N@@H+]1CCN1C(=O)NC(C)(C)C1=O ZINC000626040074 565672326 /nfs/dbraw/zinc/67/23/26/565672326.db2.gz WMSNRVDGFKJRAN-GXTWGEPZSA-N 1 0 394.313 2.957 20 0 GFADRO Cc1cc(Br)c(F)c(C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)c1 ZINC000626105323 565675738 /nfs/dbraw/zinc/67/57/38/565675738.db2.gz BRYIYNQJTQCAKA-ZDUSSCGKSA-N 1 0 385.277 2.880 20 0 GFADRO C[N@@H+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)CCOc1cccc(Br)c1 ZINC000647823328 565677842 /nfs/dbraw/zinc/67/78/42/565677842.db2.gz HEYLRMJXAKFGIZ-SJORKVTESA-N 1 0 397.313 2.540 20 0 GFADRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1cc(Br)cc2c1OCCO2 ZINC000669118796 565678264 /nfs/dbraw/zinc/67/82/64/565678264.db2.gz OTSZKIXFGVFJCY-BXUZGUMPSA-N 1 0 383.286 2.633 20 0 GFADRO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)c1ccn(-c2cccc(Br)c2)n1 ZINC000647833206 565679224 /nfs/dbraw/zinc/67/92/24/565679224.db2.gz LITUEZZMLHIQGI-MLGOLLRUSA-N 1 0 377.286 2.799 20 0 GFADRO C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)c1ccn(-c2cccc(Br)c2)n1 ZINC000647833204 565679463 /nfs/dbraw/zinc/67/94/63/565679463.db2.gz LITUEZZMLHIQGI-BLLLJJGKSA-N 1 0 377.286 2.799 20 0 GFADRO CC(=O)NC[C@@H]1CCCC[N@@H+]1C[C@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000626154194 565679906 /nfs/dbraw/zinc/67/99/06/565679906.db2.gz JMEOFXMUFGTLRV-KBPBESRZSA-N 1 0 375.296 2.724 20 0 GFADRO C[C@H]([NH3+])[C@H]1CN(CC(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)CCO1 ZINC000647863496 565680509 /nfs/dbraw/zinc/68/05/09/565680509.db2.gz CRUWGQGBKIMQRT-AFAVFJNCSA-N 1 0 386.323 2.705 20 0 GFADRO CC(C)[C@H]1CN(Cc2nc(Cc3cccc(Br)c3)no2)CC[NH2+]1 ZINC000647929481 565685176 /nfs/dbraw/zinc/68/51/76/565685176.db2.gz JUIMAYIACDYKKB-OAHLLOKOSA-N 1 0 379.302 2.853 20 0 GFADRO CC(C)[N@H+](C)C[C@H](O)CN1CCN(CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000647969590 565686474 /nfs/dbraw/zinc/68/64/74/565686474.db2.gz FUKQOUKIQWVYMZ-KRWDZBQOSA-N 1 0 388.383 2.855 20 0 GFADRO C[NH+](C)C[C@@H]1CN(Cc2cc(OC(F)F)ccc2Br)CCO1 ZINC000647998062 565687432 /nfs/dbraw/zinc/68/74/32/565687432.db2.gz HHJRDCOAJVNLQD-CYBMUJFWSA-N 1 0 379.245 2.813 20 0 GFADRO COc1ccc(Br)cc1C1([NH2+]C[C@H]2CNc3ccnn3C2)CC1 ZINC000648052083 565688282 /nfs/dbraw/zinc/68/82/82/565688282.db2.gz JLWVSPRGAWJZGX-GFCCVEGCSA-N 1 0 377.286 2.975 20 0 GFADRO C[C@@H](C(=O)Nc1ccc(I)cc1)[N@H+](C)CC1(C)COC1 ZINC000599571614 565689316 /nfs/dbraw/zinc/68/93/16/565689316.db2.gz NPKSMHCOKFWHIY-NSHDSACASA-N 1 0 388.249 2.587 20 0 GFADRO CCS(=O)(=O)c1ccc(Sc2ccccc2C(=O)NC[C@H](C)[NH3+])cc1 ZINC000648129461 565691003 /nfs/dbraw/zinc/69/10/03/565691003.db2.gz ZRYHRJGNPYWINF-ZDUSSCGKSA-N 1 0 378.519 2.708 20 0 GFADRO CC[C@@H]1CN(C(=O)C[C@H](NC(C)=O)c2ccc(Br)cc2)CC[C@H]1[NH3+] ZINC000648125076 565691207 /nfs/dbraw/zinc/69/12/07/565691207.db2.gz IUKBVEYFFPDEON-XYPHTWIQSA-N 1 0 396.329 2.602 20 0 GFADRO CC[C@@H]1CN(C(=O)NC[C@H](C)Oc2ccc(Br)cc2)CC[C@H]1[NH3+] ZINC000669506346 565691267 /nfs/dbraw/zinc/69/12/67/565691267.db2.gz VAXHQDSJVSWWOA-WOSRLPQWSA-N 1 0 384.318 2.985 20 0 GFADRO O=C(NCC1(c2ccccc2Br)CC1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000669495222 565691743 /nfs/dbraw/zinc/69/17/43/565691743.db2.gz YCRDUZMFSYDRTK-XJKSGUPXSA-N 1 0 378.314 2.874 20 0 GFADRO CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)NCC1CC[NH2+]CC1 ZINC000669551803 565692112 /nfs/dbraw/zinc/69/21/12/565692112.db2.gz SRUKOLZYPLYVRF-LRDDRELGSA-N 1 0 384.318 2.824 20 0 GFADRO C[NH2+]Cc1ccc(NC(=O)[C@H](C)NC(=O)c2ccc(Br)s2)cc1 ZINC000648146295 565692185 /nfs/dbraw/zinc/69/21/85/565692185.db2.gz JYDLUWWRQIUDHW-JTQLQIEISA-N 1 0 396.310 2.987 20 0 GFADRO O=C(C(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1)c1ccc(Br)cc1 ZINC000648143259 565692255 /nfs/dbraw/zinc/69/22/55/565692255.db2.gz MKLUUEHWKPUPMT-LSDHHAIUSA-N 1 0 379.298 2.870 20 0 GFADRO O=C(N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)N[C@@H]1CCC[NH2+]CC1 ZINC000669553882 565692315 /nfs/dbraw/zinc/69/23/15/565692315.db2.gz KRJJBXQOWPDDHV-IAQYHMDHSA-N 1 0 385.295 2.540 20 0 GFADRO CO[C@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000669551720 565692360 /nfs/dbraw/zinc/69/23/60/565692360.db2.gz GKDHSVVSJCXJPS-RPVQJOFSSA-N 1 0 396.329 2.920 20 0 GFADRO C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)c1cc(=O)[nH]c2c(Br)cccc12 ZINC000648136810 565692353 /nfs/dbraw/zinc/69/23/53/565692353.db2.gz TZDPMFCNLIWPQG-FCHSOHFDSA-N 1 0 378.270 2.819 20 0 GFADRO COc1cc(C(=O)N[C@H]2CC[NH2+]C23CCCC3)cc(OC)c1Br ZINC000648208267 565693227 /nfs/dbraw/zinc/69/32/27/565693227.db2.gz ZNZOZEURNWBXJN-AWEZNQCLSA-N 1 0 383.286 2.871 20 0 GFADRO O=C(NCC[C@H]1CCC[NH2+]C1)N[C@H]1CCOc2c(Br)cccc21 ZINC000669580754 565693208 /nfs/dbraw/zinc/69/32/08/565693208.db2.gz DMUALRCXZUVFFO-DOMZBBRYSA-N 1 0 382.302 2.962 20 0 GFADRO C[C@@H]1C[C@@H](C)N(C(=O)c2c3ccc(Br)cc3nn2C)C[C@H]1C[NH3+] ZINC000648179765 565693569 /nfs/dbraw/zinc/69/35/69/565693569.db2.gz WOHXWLVQXXCJNT-IJLUTSLNSA-N 1 0 379.302 2.781 20 0 GFADRO CC[C@@H]1CN(C(=O)NCc2cc(F)c(F)cc2Br)CC[C@H]1[NH3+] ZINC000669584860 565694601 /nfs/dbraw/zinc/69/46/01/565694601.db2.gz FRVGHYCJABZTLK-YMTOWFKASA-N 1 0 376.245 2.996 20 0 GFADRO C[C@@H]([NH3+])CNC(=O)NC[C@@H](c1ccc(Cl)cc1)N(C)CCC(F)(F)F ZINC000669582577 565694652 /nfs/dbraw/zinc/69/46/52/565694652.db2.gz AIHYAYGKIZVJFQ-RISCZKNCSA-N 1 0 380.842 2.912 20 0 GFADRO Cc1noc([C@@H]2OCC[C@@H]2[NH2+]CC[S@@](=O)c2cc(Cl)ccc2Cl)n1 ZINC000599684923 565696081 /nfs/dbraw/zinc/69/60/81/565696081.db2.gz JTQBZWUDFOEAIC-CVDOSRGISA-N 1 0 390.292 2.912 20 0 GFADRO CS[C@@H]1CN(C(=O)[C@@H]2[C@@H]3Cc4c(cccc4Br)[C@@H]32)C[C@H]1[NH+](C)C ZINC000599714985 565697496 /nfs/dbraw/zinc/69/74/96/565697496.db2.gz MYGDIPIOUBIFQQ-FYNNLBNCSA-N 1 0 395.366 2.839 20 0 GFADRO CC[N@@H+]1CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2C)C[C@H]1C ZINC000669802041 565703169 /nfs/dbraw/zinc/70/31/69/565703169.db2.gz JLSLZFZXGMMYCD-GFCCVEGCSA-N 1 0 394.317 2.784 20 0 GFADRO C[C@@H](CC(=O)Nc1ccnc(OCC[NH+](C)C)c1)n1cc(Br)cn1 ZINC000648339719 565704695 /nfs/dbraw/zinc/70/46/95/565704695.db2.gz MKAUECVZKXCOML-LBPRGKRZSA-N 1 0 396.289 2.571 20 0 GFADRO Cc1c(Cl)cccc1-n1ccnc1SCC(=O)NC[C@H]1CC[N@@H+](C)C1 ZINC000600042918 565712037 /nfs/dbraw/zinc/71/20/37/565712037.db2.gz WBCFGGNJGGVMBD-CQSZACIVSA-N 1 0 378.929 2.994 20 0 GFADRO C[C@H](CCCC[NH3+])NC(=O)C(=O)Nc1cc(Cl)c(Br)cc1F ZINC000626836756 565712134 /nfs/dbraw/zinc/71/21/34/565712134.db2.gz BRYFOLYYHLXIRD-MRVPVSSYSA-N 1 0 394.672 2.814 20 0 GFADRO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)Nc1cc(Cl)c(Br)cc1F ZINC000626831462 565712423 /nfs/dbraw/zinc/71/24/23/565712423.db2.gz CNJDRJRYAKMQQD-QMMMGPOBSA-N 1 0 394.672 2.670 20 0 GFADRO CC(C)[C@H]1C[NH2+]CCN1C(=O)C(=O)Nc1ccc(C(F)(F)F)cc1Cl ZINC000626845628 565713318 /nfs/dbraw/zinc/71/33/18/565713318.db2.gz GBOQAKFXKOIMNA-CYBMUJFWSA-N 1 0 377.794 2.754 20 0 GFADRO CCOc1c(Cl)cc(NC(=O)C(=O)N2CC[NH2+]C[C@H]2C(C)C)cc1Cl ZINC000626846900 565713366 /nfs/dbraw/zinc/71/33/66/565713366.db2.gz PDMFTTZUARONGH-AWEZNQCLSA-N 1 0 388.295 2.787 20 0 GFADRO CSc1ccc(NC(=O)C(=O)NCC[C@@H]([NH3+])C(C)C)cc1Br ZINC000626842242 565713453 /nfs/dbraw/zinc/71/34/53/565713453.db2.gz KLDHFRDXOYVZIJ-GFCCVEGCSA-N 1 0 388.331 2.599 20 0 GFADRO COc1cc(C(=O)N2CCC[C@H]([NH+]3CCOCC3)CC2)ccc1Br ZINC000626885305 565713859 /nfs/dbraw/zinc/71/38/59/565713859.db2.gz MPJPSGAQPUBHRS-HNNXBMFYSA-N 1 0 397.313 2.785 20 0 GFADRO CCOC(=O)c1cccc(C[NH2+]CCCCn2cc(Br)cn2)n1 ZINC000600156731 565716412 /nfs/dbraw/zinc/71/64/12/565716412.db2.gz SKPSYWLOPSDNNY-UHFFFAOYSA-N 1 0 381.274 2.787 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000626959257 565717246 /nfs/dbraw/zinc/71/72/46/565717246.db2.gz AMRKSGVCWXEKHS-JSGCOSHPSA-N 1 0 397.317 2.526 20 0 GFADRO CCOC(=O)c1nn(C)cc1CNCc1cc(F)c(Br)cc1F ZINC000600201335 565717685 /nfs/dbraw/zinc/71/76/85/565717685.db2.gz IOGPRDKJYYKDTI-UHFFFAOYSA-N 1 0 388.212 2.927 20 0 GFADRO CC[C@H](NC(=O)NCCOCC[NH2+]C)c1cc(F)cc(Br)c1 ZINC000627016440 565719640 /nfs/dbraw/zinc/71/96/40/565719640.db2.gz NUTXBBKNOPTMQE-AWEZNQCLSA-N 1 0 376.270 2.575 20 0 GFADRO C[NH2+]CCOCCNC(=O)N[C@H]1c2cccc(Br)c2CC1(C)C ZINC000627043863 565720978 /nfs/dbraw/zinc/72/09/78/565720978.db2.gz YTOSEYLJQOONDL-HNNXBMFYSA-N 1 0 384.318 2.608 20 0 GFADRO C[NH+](C)C1CC(NC(=O)[C@H]2CCCN2C(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000670401316 565721664 /nfs/dbraw/zinc/72/16/64/565721664.db2.gz BGEDGAIQDHCTKU-SEEARECTSA-N 1 0 384.307 2.807 20 0 GFADRO Cc1cc(Br)cc2cc(C(=O)NC[C@H]3C[N@@H+]4CCN3CCC4)oc21 ZINC000670408038 565721860 /nfs/dbraw/zinc/72/18/60/565721860.db2.gz GEKVBIBEIXSCSS-HNNXBMFYSA-N 1 0 392.297 2.623 20 0 GFADRO C[NH2+]Cc1ccccc1CNC(=O)NCc1cc(Br)cnc1OC ZINC000627110310 565721900 /nfs/dbraw/zinc/72/19/00/565721900.db2.gz BMVSTICBKPYQCC-UHFFFAOYSA-N 1 0 393.285 2.572 20 0 GFADRO C[N@@H+]1CCCC[C@H](CNC(=O)c2csc(I)c2)C1 ZINC000600315282 565723725 /nfs/dbraw/zinc/72/37/25/565723725.db2.gz RDOHGSKHLPLCIO-SNVBAGLBSA-N 1 0 378.279 2.814 20 0 GFADRO [NH3+]C1(CNC(=O)N2CCC[C@@H]2c2ccccc2Br)CCOCC1 ZINC000627152551 565723988 /nfs/dbraw/zinc/72/39/88/565723988.db2.gz YTKPIYPWSPRHRT-OAHLLOKOSA-N 1 0 382.302 2.804 20 0 GFADRO C[NH2+]CCOCCNC(=O)N1CCCC[C@@H]1Cc1cccc(Br)c1 ZINC000627170897 565724913 /nfs/dbraw/zinc/72/49/13/565724913.db2.gz KIWMDFPMODCTNJ-QGZVFWFLSA-N 1 0 398.345 2.792 20 0 GFADRO CC(C)[C@@](C)(NC(=O)NC[C@H]1COCC[NH2+]1)c1ccc(Br)cc1 ZINC000627188129 565726146 /nfs/dbraw/zinc/72/61/46/565726146.db2.gz MCZXDXLSYQAWGU-DOTOQJQBSA-N 1 0 384.318 2.608 20 0 GFADRO [NH3+]CCCOCCNC(=O)N1CC=C(c2cccc(Br)c2)CC1 ZINC000627216796 565726880 /nfs/dbraw/zinc/72/68/80/565726880.db2.gz VSXMGWWIRDVAAQ-UHFFFAOYSA-N 1 0 382.302 2.613 20 0 GFADRO [NH3+]CCCOCCNC(=O)N1CCCC[C@H]1Cc1ccccc1Br ZINC000627220984 565727636 /nfs/dbraw/zinc/72/76/36/565727636.db2.gz WHNVJURANDZLJE-INIZCTEOSA-N 1 0 398.345 2.921 20 0 GFADRO C[C@H](NC(=O)C(=O)N1CC[C@H]2CC[N@H+](C)C[C@H]21)c1ccc(Cl)c(Cl)c1 ZINC000670587544 565730919 /nfs/dbraw/zinc/73/09/19/565730919.db2.gz KKWFZGVURIATAV-HWWQOWPSSA-N 1 0 384.307 2.723 20 0 GFADRO Cn1ncc(Br)c1C(=O)N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC000648999726 565744143 /nfs/dbraw/zinc/74/41/43/565744143.db2.gz PNUXDCFMFGQCLH-CQSZACIVSA-N 1 0 377.286 2.529 20 0 GFADRO CSc1cc(C(=O)N2CN(CC[NH+](C)C)C(=O)[C@@H]2C)c(Cl)cc1Cl ZINC000649075216 565746102 /nfs/dbraw/zinc/74/61/02/565746102.db2.gz YTUMOZZHCQKBPN-JTQLQIEISA-N 1 0 390.336 2.907 20 0 GFADRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl ZINC000649075568 565746314 /nfs/dbraw/zinc/74/63/14/565746314.db2.gz GKYKBHZRRZRORU-DFBGVHRSSA-N 1 0 384.307 2.675 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1CCNS(=O)(=O)Cc1ccc(OC(F)(F)F)cc1 ZINC000600746530 565748063 /nfs/dbraw/zinc/74/80/63/565748063.db2.gz LKVHPKKXLDLEIF-CYBMUJFWSA-N 1 0 380.432 2.879 20 0 GFADRO CC[C@@H]1[NH2+]CC[C@H]1NCc1cc(I)c(OC)c(OC)c1 ZINC000600776152 565749652 /nfs/dbraw/zinc/74/96/52/565749652.db2.gz PMGKXNUVZZSTPZ-QWHCGFSZSA-N 1 0 390.265 2.539 20 0 GFADRO COC(=O)c1sc2c(c1Br)CN(C(=O)C[N@H+](C)C1CCC1)C2 ZINC000600829695 565751796 /nfs/dbraw/zinc/75/17/96/565751796.db2.gz NXWNUVLLORKMGT-UHFFFAOYSA-N 1 0 387.299 2.624 20 0 GFADRO Cc1cc(NC(=O)C(=O)NC[C@@H]2CCCC[N@@H+](C)C2)cc(C)c1Br ZINC000627827381 565754616 /nfs/dbraw/zinc/75/46/16/565754616.db2.gz XWGIHNFUEMFQDY-AWEZNQCLSA-N 1 0 396.329 2.853 20 0 GFADRO O=C(Nc1ccc(Br)cc1Cl)NC1CC[NH+](CCO)CC1 ZINC000601088036 565766098 /nfs/dbraw/zinc/76/60/98/565766098.db2.gz QTDASSXCSNOFFV-UHFFFAOYSA-N 1 0 376.682 2.681 20 0 GFADRO CC(C)(C)OC(=O)COCC[NH2+]Cc1cnc2ccc(Br)cn12 ZINC000601144254 565767717 /nfs/dbraw/zinc/76/77/17/565767717.db2.gz HKBVYNGQGCNCMK-UHFFFAOYSA-N 1 0 384.274 2.545 20 0 GFADRO CCC[C@@H](C)[C@@H](CO)[NH2+]CC(=O)N(C)Cc1cc(Br)cs1 ZINC000649690898 565773890 /nfs/dbraw/zinc/77/38/90/565773890.db2.gz YZDXRLRSTKCZIE-BXUZGUMPSA-N 1 0 377.348 2.856 20 0 GFADRO COc1cc(C)c(Br)cc1C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000671681883 565779548 /nfs/dbraw/zinc/77/95/48/565779548.db2.gz VSEBBBNDUUFJKM-UHFFFAOYSA-N 1 0 381.274 2.777 20 0 GFADRO C[C@H](CO)C1CC[NH+](C[C@@H](O)COc2cc(F)cc(Br)c2)CC1 ZINC000649798835 565779670 /nfs/dbraw/zinc/77/96/70/565779670.db2.gz IZAYBLQKJDYETR-MLGOLLRUSA-N 1 0 390.293 2.668 20 0 GFADRO C[C@@H](CO)C1CC[NH+]([C@H]2CCN(c3cccc(Br)c3)C2=O)CC1 ZINC000649798560 565779782 /nfs/dbraw/zinc/77/97/82/565779782.db2.gz CJPYNCQWNNRLEY-GUYCJALGSA-N 1 0 381.314 2.895 20 0 GFADRO CCC1([NH+](C)C)CCN(S(=O)(=O)c2ccc(C(=O)OC)cc2Cl)CC1 ZINC000601502944 565788574 /nfs/dbraw/zinc/78/85/74/565788574.db2.gz WVUVZGYDDFCVMK-UHFFFAOYSA-N 1 0 388.917 2.622 20 0 GFADRO CCO[C@@H]1CC[N@H+](Cc2cc(=O)n3cc(Br)ccc3n2)C[C@H]1C ZINC000649990714 565791094 /nfs/dbraw/zinc/79/10/94/565791094.db2.gz KSWRFIVYQGUYCV-IUODEOHRSA-N 1 0 380.286 2.704 20 0 GFADRO O=C(CN1CC[C@H](c2cccc(Br)c2)C1)N1CCOC[C@H]1C1CC1 ZINC000650009855 565792131 /nfs/dbraw/zinc/79/21/31/565792131.db2.gz NBHROKUXKLHDHT-WMZOPIPTSA-N 1 0 393.325 2.876 20 0 GFADRO Cc1ccc(C(=O)N2CCC[C@@H]3C[NH2+]CC[C@H]32)cc1I ZINC000601560997 565792175 /nfs/dbraw/zinc/79/21/75/565792175.db2.gz ZUUMILPAULJDLK-UKRRQHHQSA-N 1 0 384.261 2.814 20 0 GFADRO CC(C)[C@H]1CN(C(=O)CSc2nncs2)CC[N@@H+]1Cc1ccccc1 ZINC000628612263 565795822 /nfs/dbraw/zinc/79/58/22/565795822.db2.gz YNUPMHALHPVFAJ-MRXNPFEDSA-N 1 0 376.551 2.999 20 0 GFADRO Cc1cc(C[NH2+]C[C@H](O)C[C@@](C)(O)C2CC2)ccc1I ZINC000601965604 565810485 /nfs/dbraw/zinc/81/04/85/565810485.db2.gz PNICKMFQFCZMOA-GDBMZVCRSA-N 1 0 389.277 2.601 20 0 GFADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N(C)Cc1ccc(Cl)c(Cl)c1 ZINC000672698287 565814526 /nfs/dbraw/zinc/81/45/26/565814526.db2.gz OJXYEXGWUXQZQN-AWEZNQCLSA-N 1 0 386.323 2.942 20 0 GFADRO Cc1ccn(CC(=O)N[C@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)c(=O)c1 ZINC000628968709 565817573 /nfs/dbraw/zinc/81/75/73/565817573.db2.gz JGDZUMRLVDRLKL-MRXNPFEDSA-N 1 0 382.291 2.883 20 0 GFADRO C[NH+](C)C[C@@H](NC(=O)CCCCNC(N)=O)c1ccc(Cl)c(Cl)c1 ZINC000628968761 565817580 /nfs/dbraw/zinc/81/75/80/565817580.db2.gz OMFUGXZRFHOYGQ-CQSZACIVSA-N 1 0 375.300 2.551 20 0 GFADRO Cc1cc(Br)ccc1[C@H]1CCCN1C(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000629079425 565822453 /nfs/dbraw/zinc/82/24/53/565822453.db2.gz SPHKFAYFKSUEMT-QZTJIDSGSA-N 1 0 392.341 2.811 20 0 GFADRO C[NH+]1CCC(C)(CNC(=O)c2cnc3ncc(Br)cc3c2)CC1 ZINC000672942062 565822642 /nfs/dbraw/zinc/82/26/42/565822642.db2.gz CFVLTMVOBHSTHJ-UHFFFAOYSA-N 1 0 377.286 2.854 20 0 GFADRO Cc1ccc(C(=O)N[C@H]2C[C@@H]([NH+]3CCCC3)C2)cc1I ZINC000602165544 565827855 /nfs/dbraw/zinc/82/78/55/565827855.db2.gz CTCJEVQEXPBXLA-OKILXGFUSA-N 1 0 384.261 2.956 20 0 GFADRO O=C(CCCc1cccc(Br)c1)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000650601087 565829289 /nfs/dbraw/zinc/82/92/89/565829289.db2.gz CMIUHCXFGYTKGV-QGZVFWFLSA-N 1 0 383.330 2.735 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)c1nn(-c2ccc(F)cc2)cc1Br ZINC000673425410 565834661 /nfs/dbraw/zinc/83/46/61/565834661.db2.gz ZLIZEMGSMUETBM-HUUCEWRRSA-N 1 0 395.276 2.986 20 0 GFADRO C[NH+](C)C1CC(NC(=O)[C@@H](c2ccc(Cl)cc2Cl)N2CCOCC2)C1 ZINC000673445070 565834811 /nfs/dbraw/zinc/83/48/11/565834811.db2.gz VICFWDQQCYTMEI-MQBCKMQZSA-N 1 0 386.323 2.576 20 0 GFADRO CSc1cc(C(=O)N2CC[C@@H]([N@@H+]3CC[C@@H](O)C3)C2)c(Cl)cc1Cl ZINC000673513982 565839004 /nfs/dbraw/zinc/83/90/04/565839004.db2.gz DTDMSAHLWSUNLK-GHMZBOCLSA-N 1 0 375.321 2.996 20 0 GFADRO O=C1CCC[C@@H](C[NH2+]Cc2cc(Br)cc(Br)c2)N1 ZINC000673607993 565843064 /nfs/dbraw/zinc/84/30/64/565843064.db2.gz RCHDZYVIDHPTNK-LBPRGKRZSA-N 1 0 376.092 2.970 20 0 GFADRO Cc1ccc(-c2csc(NC(=O)C3([S@](C)=O)CC[NH2+]CC3)n2)cc1C ZINC000602433855 565847632 /nfs/dbraw/zinc/84/76/32/565847632.db2.gz FGAJBFUGVZQGEI-VWLOTQADSA-N 1 0 377.535 2.866 20 0 GFADRO O=C(CCC1C[NH2+]C1)NCCSCCOc1cccc(Br)c1 ZINC000602454450 565848886 /nfs/dbraw/zinc/84/88/86/565848886.db2.gz NSJDGEOUSVNESU-UHFFFAOYSA-N 1 0 387.343 2.677 20 0 GFADRO CCCOc1c(Br)cc(CNCC2([NH3+])CCOCC2)cc1OC ZINC000629389199 565849829 /nfs/dbraw/zinc/84/98/29/565849829.db2.gz ZKJJZJRCYPLNJI-UHFFFAOYSA-N 1 0 387.318 2.844 20 0 GFADRO CN(Cc1cnn2cc(Br)cnc12)Cc1ccc([S@@](C)=O)cc1 ZINC000602485955 565850899 /nfs/dbraw/zinc/85/08/99/565850899.db2.gz OOVWRSZYLRFISC-HSZRJFAPSA-N 1 0 393.310 2.861 20 0 GFADRO C[C@H](Cc1ccc(Br)cc1)NC(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000673868954 565851247 /nfs/dbraw/zinc/85/12/47/565851247.db2.gz JXMFHDBSKVGYGJ-CYBMUJFWSA-N 1 0 394.317 2.960 20 0 GFADRO COCCN1CCC([NH2+]Cc2ccc(I)s2)CC1 ZINC000602527965 565852704 /nfs/dbraw/zinc/85/27/04/565852704.db2.gz KVJUVJOYIXXTOZ-UHFFFAOYSA-N 1 0 380.295 2.553 20 0 GFADRO C[S@@](=O)C1(C(=O)NCc2cnc(-c3ccc(Cl)cc3)s2)CC[NH2+]CC1 ZINC000602505759 565852724 /nfs/dbraw/zinc/85/27/24/565852724.db2.gz YVDSQYKACUXZFK-RUZDIDTESA-N 1 0 397.953 2.580 20 0 GFADRO O=C(CCC1C[NH2+]C1)NCc1cc(Cl)cc(I)c1 ZINC000602514843 565852883 /nfs/dbraw/zinc/85/28/83/565852883.db2.gz MNHAXLKXBNOOCJ-UHFFFAOYSA-N 1 0 378.641 2.560 20 0 GFADRO [NH3+]C[C@@H]1CCCn2ncc(C(=O)NCc3cc(F)c(Br)cc3F)c21 ZINC000602545274 565853650 /nfs/dbraw/zinc/85/36/50/565853650.db2.gz LNULVVNNWPEYAP-VIFPVBQESA-N 1 0 399.239 2.690 20 0 GFADRO CSc1ccc(NC(=O)C2([S@@](C)=O)CC[NH2+]CC2)cc1Br ZINC000602534105 565853856 /nfs/dbraw/zinc/85/38/56/565853856.db2.gz OAXUCMKSLKRSPE-OAQYLSRUSA-N 1 0 391.356 2.610 20 0 GFADRO C[C@H]([NH2+]C[C@@H](O)COc1ccc(I)cc1)[C@H]1CC1(F)F ZINC000602534278 565854054 /nfs/dbraw/zinc/85/40/54/565854054.db2.gz HWXXNHUAXRLDTK-UFGOTCBOSA-N 1 0 397.203 2.664 20 0 GFADRO C[C@H]([NH2+]C[C@H](O)COc1ccc(I)cc1)[C@@H]1CC1(F)F ZINC000602534258 565854342 /nfs/dbraw/zinc/85/43/42/565854342.db2.gz HWXXNHUAXRLDTK-GAFUQQFSSA-N 1 0 397.203 2.664 20 0 GFADRO CCOc1ccc(Br)cc1S(=O)(=O)NCCC[NH+]1CCCC1 ZINC000674019902 565857210 /nfs/dbraw/zinc/85/72/10/565857210.db2.gz FTMBGNNKDKXCQR-UHFFFAOYSA-N 1 0 391.331 2.612 20 0 GFADRO Cc1ccc(CNC(=O)c2cnn3c2[C@H](C[NH3+])CCC3)cc1Br ZINC000602610285 565857458 /nfs/dbraw/zinc/85/74/58/565857458.db2.gz SIYQEPOHPXHMTF-ZDUSSCGKSA-N 1 0 377.286 2.720 20 0 GFADRO CN1CC[NH+](CCC(C)(C)Nc2ncnc3cc(Br)sc32)CC1 ZINC000651342845 565857957 /nfs/dbraw/zinc/85/79/57/565857957.db2.gz QRXHVRVTGVEROS-UHFFFAOYSA-N 1 0 398.374 3.282 20 0 GFADRO C[N@@H+]1CCN(CCNc2ncnc3cc(Br)sc32)CC1(C)C ZINC000651348621 565858904 /nfs/dbraw/zinc/85/89/04/565858904.db2.gz ZBTAENVTYPEDJX-UHFFFAOYSA-N 1 0 384.347 2.892 20 0 GFADRO C[C@H]([NH2+]CC(=O)Nc1ccc(I)cc1)[C@@H]1CC1(F)F ZINC000602655032 565861323 /nfs/dbraw/zinc/86/13/23/565861323.db2.gz SVHDTKFEJAESPB-KWQFWETISA-N 1 0 380.176 2.863 20 0 GFADRO O[C@@H]1CCN(C2CN(c3cc4nccc(Cl)c4cc3Br)C2)C1 ZINC000651449655 565863572 /nfs/dbraw/zinc/86/35/72/565863572.db2.gz OPEKQQHPWALPEY-LLVKDONJSA-N 1 0 382.689 2.906 20 0 GFADRO COc1ccc(C[C@H](CO)C[NH2+][C@H](C)c2c[nH]nc2C)cc1Br ZINC000651460492 565864587 /nfs/dbraw/zinc/86/45/87/565864587.db2.gz MAWOKSJPIWKARI-RISCZKNCSA-N 1 0 382.302 2.991 20 0 GFADRO COc1ccc(I)c(NC(=O)NCC2([NH+](C)C)CC2)c1 ZINC000602822821 565869101 /nfs/dbraw/zinc/86/91/01/565869101.db2.gz BVXHFKXYILMYIE-UHFFFAOYSA-N 1 0 389.237 2.516 20 0 GFADRO COCC[N@@H+]1CCC[C@H](NC(=O)CCc2ccc(Br)c(C)c2)C1 ZINC000674359946 565871893 /nfs/dbraw/zinc/87/18/93/565871893.db2.gz JKUKWZSJFNKLJF-INIZCTEOSA-N 1 0 383.330 2.917 20 0 GFADRO Cc1cc(Br)sc1S(=O)(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000651573611 565874223 /nfs/dbraw/zinc/87/42/23/565874223.db2.gz AKWCSFGIILKPNU-GFCCVEGCSA-N 1 0 393.372 2.925 20 0 GFADRO CCC(=O)N1CCC([NH2+]CCCNC(=O)c2ccc(Br)cc2)CC1 ZINC000674911013 565887218 /nfs/dbraw/zinc/88/72/18/565887218.db2.gz SESZKPUNDWAQBB-UHFFFAOYSA-N 1 0 396.329 2.560 20 0 GFADRO CCOC(=O)c1nc(Cn2cc([C@H]([NH3+])c3ccc(Cl)cc3)nn2)cs1 ZINC000603200354 565890097 /nfs/dbraw/zinc/89/00/97/565890097.db2.gz HMUJWOQNAOEVIM-CQSZACIVSA-N 1 0 377.857 2.661 20 0 GFADRO C[NH+](C)C[C@H](CNS(=O)(=O)CCC[C@H]1CCOC1)c1ccc(Cl)cc1 ZINC000651765007 565891452 /nfs/dbraw/zinc/89/14/52/565891452.db2.gz ZZVHETSUUYCRMM-RDJZCZTQSA-N 1 0 388.961 2.721 20 0 GFADRO CO[C@@H]1CN(CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)[C@@](C)(C[NH3+])C1 ZINC000630356776 565897133 /nfs/dbraw/zinc/89/71/33/565897133.db2.gz UZBQHXSOPNEDAD-XHDPSFHLSA-N 1 0 379.810 2.735 20 0 GFADRO COCC(=O)NC1CC[NH+](Cc2cc(Br)cc3cccnc32)CC1 ZINC000675286128 565897927 /nfs/dbraw/zinc/89/79/27/565897927.db2.gz LQGOELKAMDBOEV-UHFFFAOYSA-N 1 0 392.297 2.724 20 0 GFADRO COC(=O)[C@@H]1CN(c2cc(CO)ccn2)C[C@H]1c1ccc(Br)cc1 ZINC000603396208 565902390 /nfs/dbraw/zinc/90/23/90/565902390.db2.gz LOPQPLFDKKNZAW-JKSUJKDBSA-N 1 0 391.265 2.729 20 0 GFADRO CCOC(=O)c1nc(N2CC[C@@]3(C2)CCC[N@H+](C)C3)ccc1Br ZINC000603382959 565902483 /nfs/dbraw/zinc/90/24/83/565902483.db2.gz MIZOGOYFWDWNST-KRWDZBQOSA-N 1 0 382.302 2.943 20 0 GFADRO C[NH+](C)C1CCN(CCNC(=O)CCCc2cccc(Br)c2)CC1 ZINC000675485059 565906101 /nfs/dbraw/zinc/90/61/01/565906101.db2.gz FWVHYNRBIQFXTE-UHFFFAOYSA-N 1 0 396.373 2.914 20 0 GFADRO CCN1C[C@H](C[NH2+][C@@H](C)CC(=O)Nc2ccc(Br)cc2)CC1=O ZINC000652015885 565912183 /nfs/dbraw/zinc/91/21/83/565912183.db2.gz OAFFBXTZQXZAMT-STQMWFEESA-N 1 0 382.302 2.624 20 0 GFADRO O[C@@]1(CC[NH2+]Cc2c(Br)cncc2Br)CCCOC1 ZINC000652041064 565912926 /nfs/dbraw/zinc/91/29/26/565912926.db2.gz SGAKWMDLTIHXKX-CYBMUJFWSA-N 1 0 394.107 2.628 20 0 GFADRO CC[C@H]([NH2+]CCN1CCN(S(C)(=O)=O)CC1)c1ccc(Cl)cc1Cl ZINC000675819609 565916357 /nfs/dbraw/zinc/91/63/57/565916357.db2.gz RBXSXPGPLIGJQZ-INIZCTEOSA-N 1 0 394.368 2.611 20 0 GFADRO CCO[C@@H]1CN(C(=O)NCc2ccc(Br)cc2Cl)C[C@H]1C[NH3+] ZINC000652141341 565916550 /nfs/dbraw/zinc/91/65/50/565916550.db2.gz MHPFXIAADSIFEA-BXUZGUMPSA-N 1 0 390.709 2.608 20 0 GFADRO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CCOC[C@H]1CCOC1 ZINC000675840702 565917426 /nfs/dbraw/zinc/91/74/26/565917426.db2.gz UDEZDUWKHMNCST-KGLIPLIRSA-N 1 0 385.302 2.809 20 0 GFADRO COCC[NH2+]C1CCN(C(=O)N[C@@H]2CCc3c2cccc3Br)CC1 ZINC000652145378 565917578 /nfs/dbraw/zinc/91/75/78/565917578.db2.gz MKCFXZXTCDJGIX-QGZVFWFLSA-N 1 0 396.329 2.846 20 0 GFADRO CCO[C@@H]1CN(C(=O)NCC(C)(C)c2cccc(Br)c2)C[C@H]1C[NH3+] ZINC000652144715 565917741 /nfs/dbraw/zinc/91/77/41/565917741.db2.gz PNCLKQGWHXRIBA-CZUORRHYSA-N 1 0 398.345 2.732 20 0 GFADRO O=C(NCCC1CC[NH2+]CC1)N[C@H]1COc2cc(F)c(Br)cc21 ZINC000652189948 565918909 /nfs/dbraw/zinc/91/89/09/565918909.db2.gz YONLAPBREXCFLE-AWEZNQCLSA-N 1 0 386.265 2.711 20 0 GFADRO CN(CCC[N@H+](C)Cc1ccncc1)C(=O)c1nscc1Br ZINC000652219582 565919307 /nfs/dbraw/zinc/91/93/07/565919307.db2.gz FMRRCHRESZDUFJ-UHFFFAOYSA-N 1 0 383.315 2.895 20 0 GFADRO C[C@H](COCC1CC1)[NH2+][C@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000652287027 565921021 /nfs/dbraw/zinc/92/10/21/565921021.db2.gz LYWXIQSVEJOLSQ-GHMZBOCLSA-N 1 0 391.331 2.562 20 0 GFADRO O[C@H](COc1ccc(Cl)c(Cl)c1)C[N@@H+]1CCS[C@H]2COCC[C@@H]21 ZINC000676053103 565923866 /nfs/dbraw/zinc/92/38/66/565923866.db2.gz XXJUNNMXZTWYNR-UVBJJODRSA-N 1 0 378.321 2.939 20 0 GFADRO CCCN(C1CC[NH2+]CC1)S(=O)(=O)c1sc(Br)cc1C ZINC000652366694 565923949 /nfs/dbraw/zinc/92/39/49/565923949.db2.gz JEIJIWFHTHGGJP-UHFFFAOYSA-N 1 0 381.361 2.972 20 0 GFADRO Cc1cc(Br)sc1S(=O)(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000652366242 565924057 /nfs/dbraw/zinc/92/40/57/565924057.db2.gz KFVBXGDEZJJODD-UHFFFAOYSA-N 1 0 393.372 2.972 20 0 GFADRO Cc1cc(Br)sc1S(=O)(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000652366860 565924695 /nfs/dbraw/zinc/92/46/95/565924695.db2.gz VIDDYCMLGAAYNU-RYUDHWBXSA-N 1 0 393.372 2.972 20 0 GFADRO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCN(S(=O)(=O)c3ccc(Cl)c(Cl)c3)C2)C1 ZINC000652375713 565925324 /nfs/dbraw/zinc/92/53/24/565925324.db2.gz XYXPYUIFORRAIZ-HWWQOWPSSA-N 1 0 393.336 2.900 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(S(=O)(=O)c3ccc(C(F)(F)F)s3)C2)C1 ZINC000652374225 565925328 /nfs/dbraw/zinc/92/53/28/565925328.db2.gz MCOLSJNGWBAUOS-UTUOFQBUSA-N 1 0 398.472 2.674 20 0 GFADRO C[NH2+]Cc1ccccc1CNS(=O)(=O)c1ccc(OC)cc1Br ZINC000652381775 565926501 /nfs/dbraw/zinc/92/65/01/565926501.db2.gz PGIJOGNGHDKWGZ-UHFFFAOYSA-N 1 0 399.310 2.656 20 0 GFADRO Cc1ncc(Br)cc1NC(=O)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652608594 565935778 /nfs/dbraw/zinc/93/57/78/565935778.db2.gz XLPSZSJJPNUUCE-DUVNUKRYSA-N 1 0 397.317 2.903 20 0 GFADRO NS(=O)(=O)c1c(NCC[NH+]2CCCCCC2)cccc1OC(F)(F)F ZINC000631056955 565936908 /nfs/dbraw/zinc/93/69/08/565936908.db2.gz PHXNZHMWILXTJW-UHFFFAOYSA-N 1 0 381.420 2.521 20 0 GFADRO O=S(=O)(NCC[NH2+]Cc1ccc(C(F)F)nc1)c1cccc(Cl)c1 ZINC000631054502 565937145 /nfs/dbraw/zinc/93/71/45/565937145.db2.gz YKCPLCCHTYHFBY-UHFFFAOYSA-N 1 0 375.828 2.741 20 0 GFADRO O=C(NCCN1CCSCC1)N1CCc2sc(Br)cc2C1 ZINC000676420477 565937327 /nfs/dbraw/zinc/93/73/27/565937327.db2.gz JQAPPQFCSPHYNB-UHFFFAOYSA-N 1 0 390.372 2.627 20 0 GFADRO CCc1cc(N2CCC([NH2+]Cc3ccncc3Br)CC2)ncn1 ZINC000631082615 565940434 /nfs/dbraw/zinc/94/04/34/565940434.db2.gz JHBHCYWPRQNWIX-UHFFFAOYSA-N 1 0 376.302 2.955 20 0 GFADRO COCCO[C@H]1COCC[C@@H]1[NH2+]Cc1cc(OC)c(Br)cc1F ZINC000631115587 565942839 /nfs/dbraw/zinc/94/28/39/565942839.db2.gz WHRGCNYRTIXILZ-HOCLYGCPSA-N 1 0 392.265 2.507 20 0 GFADRO C[C@]1(C[NH2+]Cc2ccc(Cl)c(S(N)(=O)=O)c2)OCCc2sccc21 ZINC000631138235 565943852 /nfs/dbraw/zinc/94/38/52/565943852.db2.gz FSQUIFQHVJYQCN-MRXNPFEDSA-N 1 0 386.926 2.627 20 0 GFADRO COC[C@](C)(CO)[NH2+]Cc1cc(Br)cc(Br)c1OC ZINC000631205025 565948219 /nfs/dbraw/zinc/94/82/19/565948219.db2.gz VVDFLMXKGJUYBZ-ZDUSSCGKSA-N 1 0 397.107 2.707 20 0 GFADRO NC(=O)C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000676881117 565951887 /nfs/dbraw/zinc/95/18/87/565951887.db2.gz OXCCCCHKEVNONT-BLLLJJGKSA-N 1 0 384.307 2.854 20 0 GFADRO C[C@@H](NC(=O)c1ccc2cncc(Br)c2n1)C1CC[NH+](C)CC1 ZINC000631277821 565952354 /nfs/dbraw/zinc/95/23/54/565952354.db2.gz KUIBQGOYTVZERZ-LLVKDONJSA-N 1 0 377.286 2.852 20 0 GFADRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)c1ccc2cncc(Br)c2n1 ZINC000631321377 565953622 /nfs/dbraw/zinc/95/36/22/565953622.db2.gz JYJVVUWSPKAZCQ-LBPRGKRZSA-N 1 0 377.286 2.806 20 0 GFADRO C[C@H]1Cc2cc(S(=O)(=O)N3CC[C@H]([NH+]4CCCCC4)C3)cc(Cl)c2O1 ZINC000605592234 565954762 /nfs/dbraw/zinc/95/47/62/565954762.db2.gz VJSPUWHSTTZTCW-ZFWWWQNUSA-N 1 0 384.929 2.912 20 0 GFADRO C[NH+](C)CC[C@H](N)C(=O)NCC1(c2ccc(Br)cc2)CCCC1 ZINC000653094824 565955025 /nfs/dbraw/zinc/95/50/25/565955025.db2.gz RPSUIYDITNGJCS-INIZCTEOSA-N 1 0 382.346 2.656 20 0 GFADRO [NH3+]CCCCn1cc(C(=O)NC2(c3ccccc3Br)CCC2)nn1 ZINC000653178040 565957527 /nfs/dbraw/zinc/95/75/27/565957527.db2.gz NJCLRNNBKRXJOT-UHFFFAOYSA-N 1 0 392.301 2.589 20 0 GFADRO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCN(C(=O)c3ccc(Br)cc3F)C2)C1 ZINC000653191147 565958352 /nfs/dbraw/zinc/95/83/52/565958352.db2.gz SGVJWUYUEOEPGU-NORZTCDRSA-N 1 0 385.277 2.947 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(C(=O)Cc3ccc(F)c(Br)c3)C2)C1 ZINC000653187830 565958408 /nfs/dbraw/zinc/95/84/08/565958408.db2.gz BXDSVHLTZKDARN-VBQJREDUSA-N 1 0 399.304 2.876 20 0 GFADRO [NH3+]CC1(CCNC(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CCCC2)CC1 ZINC000653217931 565959581 /nfs/dbraw/zinc/95/95/81/565959581.db2.gz OIRFPUYJSKLHAS-UHFFFAOYSA-N 1 0 384.929 2.672 20 0 GFADRO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCCN2C(=O)COc2ccccc2Br)C1 ZINC000653261037 565960804 /nfs/dbraw/zinc/96/08/04/565960804.db2.gz NSVBLPFUMFNQJO-FRFSOERESA-N 1 0 397.313 2.715 20 0 GFADRO C[N@@H+]1CCC[C@@H](NC(=O)[C@@H](c2cc(Cl)cc(Cl)c2)N2CCOCC2)C1 ZINC000677087610 565960844 /nfs/dbraw/zinc/96/08/44/565960844.db2.gz ZBDAJCACNOEHPZ-IAGOWNOFSA-N 1 0 386.323 2.577 20 0 GFADRO CN1CC[C@@H]([NH+]2CCC(NC(=O)Nc3cc(Cl)ccc3Cl)CC2)C1=O ZINC000631528514 565960929 /nfs/dbraw/zinc/96/09/29/565960929.db2.gz AOHSPBOHUOVMSB-OAHLLOKOSA-N 1 0 385.295 2.810 20 0 GFADRO C[C@@H]1C[C@@H]([NH3+])CCN1S(=O)(=O)Cc1ccc(Br)cc1Cl ZINC000653279111 565961223 /nfs/dbraw/zinc/96/12/23/565961223.db2.gz FORJTMVSNGDDAU-SKDRFNHKSA-N 1 0 381.723 2.744 20 0 GFADRO CC[N@@H+]1CCN(C(=O)Cc2csc(NC(=O)c3cccs3)n2)C[C@H]1C ZINC000677182156 565962672 /nfs/dbraw/zinc/96/26/72/565962672.db2.gz CHBIHQDLJMXCHI-GFCCVEGCSA-N 1 0 378.523 2.552 20 0 GFADRO CC(C)[NH+]1CCC(N(C)S(=O)(=O)Cc2ncsc2Br)CC1 ZINC000631709048 565968639 /nfs/dbraw/zinc/96/86/39/565968639.db2.gz GQPDMQILFMLMBH-UHFFFAOYSA-N 1 0 396.376 2.540 20 0 GFADRO COc1ccc(NC(=O)C[C@H](C)[NH2+]Cc2c(Br)cnn2C)cc1 ZINC000631685852 565968882 /nfs/dbraw/zinc/96/88/82/565968882.db2.gz ZXDCSMNLOCLJKK-NSHDSACASA-N 1 0 381.274 2.698 20 0 GFADRO Cc1ncc(Br)cc1NC(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000653585364 565972322 /nfs/dbraw/zinc/97/23/22/565972322.db2.gz LBYQHWMNGOORMF-UHFFFAOYSA-N 1 0 376.258 2.902 20 0 GFADRO CN(CCCC[NH+](C)C)C(=O)[C@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000607034498 565976530 /nfs/dbraw/zinc/97/65/30/565976530.db2.gz BFUCLEVIIOFRFV-AWEZNQCLSA-N 1 0 396.329 2.602 20 0 GFADRO COC1CC[NH+](CCNC(=O)c2cc(Br)cc3cccnc32)CC1 ZINC000677561127 565978098 /nfs/dbraw/zinc/97/80/98/565978098.db2.gz BLRMNADMOORWHK-UHFFFAOYSA-N 1 0 392.297 2.838 20 0 GFADRO C[NH2+]CC1CCN(S(=O)(=O)c2ccc(C(F)(F)C(F)(F)F)cc2)CC1 ZINC000631904694 565982248 /nfs/dbraw/zinc/98/22/48/565982248.db2.gz VWRYIBWTNMONKI-UHFFFAOYSA-N 1 0 386.386 2.961 20 0 GFADRO O=S(=O)(c1cscc1Br)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000631942548 565984584 /nfs/dbraw/zinc/98/45/84/565984584.db2.gz ALVCWIOZJTXZIU-PWSUYJOCSA-N 1 0 379.345 2.663 20 0 GFADRO Cc1nc(S(=O)(=O)N2CCC3(CC[NH2+]C3)CC2)c(-c2ccccc2)s1 ZINC000631940003 565984898 /nfs/dbraw/zinc/98/48/98/565984898.db2.gz NEWPSAPCRSMNOI-UHFFFAOYSA-N 1 0 377.535 2.883 20 0 GFADRO CC[C@@H]([NH2+]CC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl)[C@@H]1CCCCO1 ZINC000653877354 565986167 /nfs/dbraw/zinc/98/61/67/565986167.db2.gz NKUNMIOZPOARST-ZBFHGGJFSA-N 1 0 388.917 2.619 20 0 GFADRO COc1ccc(C[N@H+](C)C[C@H](O)COc2ccc(Br)cc2)cn1 ZINC000677898630 565986557 /nfs/dbraw/zinc/98/65/57/565986557.db2.gz NAVNGNVDQHVJPE-HNNXBMFYSA-N 1 0 381.270 2.724 20 0 GFADRO O=S(=O)(c1c(Cl)cccc1Br)N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631993670 565989503 /nfs/dbraw/zinc/98/95/03/565989503.db2.gz XDTRTXGFZTXNJN-GWCFXTLKSA-N 1 0 393.734 2.865 20 0 GFADRO O=S(=O)(c1cc(Br)sc1Cl)N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631994525 565989818 /nfs/dbraw/zinc/98/98/18/565989818.db2.gz NNXHDMOEMKVCNY-IUCAKERBSA-N 1 0 399.763 2.927 20 0 GFADRO Cc1csc(-c2ccc(S(=O)(=O)N3CCC[C@@H]4C[NH2+]CC[C@H]43)cc2)n1 ZINC000631993161 565989865 /nfs/dbraw/zinc/98/98/65/565989865.db2.gz LQYFKUODGRGYTE-NVXWUHKLSA-N 1 0 377.535 2.881 20 0 GFADRO O=S(=O)(c1cc(Cl)ccc1OC(F)F)N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631993085 565989987 /nfs/dbraw/zinc/98/99/87/565989987.db2.gz KLVIPASSGIBFJJ-CMPLNLGQSA-N 1 0 380.844 2.704 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)Cc2ncsc2Br)C[C@H]1C ZINC000632018711 565990610 /nfs/dbraw/zinc/99/06/10/565990610.db2.gz HWRBRKXRPVLXFX-GHMZBOCLSA-N 1 0 396.376 2.540 20 0 GFADRO O=C(Nc1cc(F)c(Br)cc1Cl)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000654061373 565994772 /nfs/dbraw/zinc/99/47/72/565994772.db2.gz NPKVGGZTHXLEAC-DTWKUNHWSA-N 1 0 392.656 2.524 20 0 GFADRO FC(F)(F)c1cnc(OCC[NH2+]C[C@H]2CNc3ccnn3C2)c(Cl)c1 ZINC000608059624 566000711 /nfs/dbraw/zinc/00/07/11/566000711.db2.gz MJNSYAVJRBLFFF-JTQLQIEISA-N 1 0 375.782 2.661 20 0 GFADRO O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1cn2ccc(Br)cc2n1 ZINC000654315584 566004628 /nfs/dbraw/zinc/00/46/28/566004628.db2.gz SVWWPTTVYURPBR-HIFRSBDPSA-N 1 0 377.286 2.844 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)N1CCOc2cccc(Br)c2C1 ZINC000654386470 566007030 /nfs/dbraw/zinc/00/70/30/566007030.db2.gz XPNFGVFUCLEPEQ-HZPDHXFCSA-N 1 0 394.313 2.980 20 0 GFADRO CCc1nn(C)cc1C[NH2+]CCCNC(=O)c1ccc(Br)cc1 ZINC000678360005 566009060 /nfs/dbraw/zinc/00/90/60/566009060.db2.gz MIMFEYMORCHFPY-UHFFFAOYSA-N 1 0 379.302 2.655 20 0 GFADRO O=S(=O)(C1CC1)N1CCC([NH2+][C@@H]2CCc3cc(Br)ccc32)CC1 ZINC000678596413 566013185 /nfs/dbraw/zinc/01/31/85/566013185.db2.gz MYVOKANWVSLVTH-QGZVFWFLSA-N 1 0 399.354 2.983 20 0 GFADRO O=C(NCCCCn1cc(Br)cn1)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000654550060 566015147 /nfs/dbraw/zinc/01/51/47/566015147.db2.gz GCOYOMHAAYCQMO-CVEARBPZSA-N 1 0 398.349 2.742 20 0 GFADRO C[C@H](NC(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ncc(Br)cn1 ZINC000654573526 566015506 /nfs/dbraw/zinc/01/55/06/566015506.db2.gz HYHDDBNWOUVTJA-YUTCNCBUSA-N 1 0 382.306 2.616 20 0 GFADRO COCCC[NH+]1CCC(NC(=O)[C@H](OC)c2ccccc2Br)CC1 ZINC000654698474 566019995 /nfs/dbraw/zinc/01/99/95/566019995.db2.gz KKPSHMKKHHDPND-QGZVFWFLSA-N 1 0 399.329 2.754 20 0 GFADRO O=C(CCCn1ccnc1)NCCc1ccc(I)s1 ZINC000608872352 566025262 /nfs/dbraw/zinc/02/52/62/566025262.db2.gz VTGSBNXCVGFUJT-UHFFFAOYSA-N 1 0 389.262 2.688 20 0 GFADRO CN1C(=O)N[C@]2(CCC[C@H]2C[NH2+][C@H]2CCc3cc(Br)ccc32)C1=O ZINC000679063217 566029532 /nfs/dbraw/zinc/02/95/32/566029532.db2.gz FVGGDYDETJTHAS-QITLCBANSA-N 1 0 392.297 2.747 20 0 GFADRO O=C(Nc1c(F)cccc1Br)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000654946442 566031796 /nfs/dbraw/zinc/03/17/96/566031796.db2.gz KAYFIZSBZHOWDA-KGLIPLIRSA-N 1 0 398.276 2.660 20 0 GFADRO CC(C)[N@@H+]1CCCN(C(=O)c2csc(I)c2)CC1 ZINC000609345649 566036507 /nfs/dbraw/zinc/03/65/07/566036507.db2.gz GFXDTRLXGGOFPE-UHFFFAOYSA-N 1 0 378.279 2.909 20 0 GFADRO CC(C)[NH2+][C@@H]1CCCN(C(=O)c2csc(I)c2)C1 ZINC000609354556 566036649 /nfs/dbraw/zinc/03/66/49/566036649.db2.gz XBGCILPBMWRNAD-LLVKDONJSA-N 1 0 378.279 2.955 20 0 GFADRO Cc1ccc(C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)cc1I ZINC000609382732 566038046 /nfs/dbraw/zinc/03/80/46/566038046.db2.gz DEFVSJCWAFSLBN-CQSZACIVSA-N 1 0 384.261 2.814 20 0 GFADRO O=S(=O)(c1ccc(CC[NH2+]Cc2ccc(O)cc2)s1)N1CCCCC1 ZINC000679394787 566039502 /nfs/dbraw/zinc/03/95/02/566039502.db2.gz QMSNJUJEJYZHPD-UHFFFAOYSA-N 1 0 380.535 2.961 20 0 GFADRO CN1CCN(S(=O)(=O)c2cccnc2C(F)(F)F)CC12CCCCC2 ZINC000632534609 566043202 /nfs/dbraw/zinc/04/32/02/566043202.db2.gz YUVOQCZOQLSQLE-UHFFFAOYSA-N 1 0 377.432 2.739 20 0 GFADRO CCC[C@@](C)(O)C[NH2+]Cc1cc(I)c(OC)c(OC)c1 ZINC000609571491 566044081 /nfs/dbraw/zinc/04/40/81/566044081.db2.gz KOSURPQBMIETGJ-OAHLLOKOSA-N 1 0 393.265 2.949 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)CCC[N@H+]1C[C@@H](CO)OC[C@H]1C ZINC000679820213 566053434 /nfs/dbraw/zinc/05/34/34/566053434.db2.gz YTVHWZSHBYQBIW-ZBFHGGJFSA-N 1 0 399.329 2.866 20 0 GFADRO O=C(N[C@H](C[C@@H]1CCCO1)C(F)(F)F)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000655337021 566054279 /nfs/dbraw/zinc/05/42/79/566054279.db2.gz JQMZEGYXTXQBLZ-QLFBSQMISA-N 1 0 380.476 2.820 20 0 GFADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)c1csc(I)c1 ZINC000609877440 566055711 /nfs/dbraw/zinc/05/57/11/566055711.db2.gz MPEBJRFIYSQZFS-NSHDSACASA-N 1 0 378.279 2.957 20 0 GFADRO O=C(N[C@@H]1CCN(c2ccccc2Br)C1)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000655447597 566057406 /nfs/dbraw/zinc/05/74/06/566057406.db2.gz ASIDCJVYTNTIMY-GLJUWKHASA-N 1 0 378.314 2.534 20 0 GFADRO COc1cc(Br)ccc1CCCNC(=O)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000655471628 566058743 /nfs/dbraw/zinc/05/87/43/566058743.db2.gz KXSHQQBJHRELLV-MAUKXSAKSA-N 1 0 381.314 2.896 20 0 GFADRO CC(C)N1CC[NH+](C2CCN(Cc3ncc(Br)s3)CC2)CC1 ZINC000679989062 566058789 /nfs/dbraw/zinc/05/87/89/566058789.db2.gz NRSFJYCPOXDSAE-UHFFFAOYSA-N 1 0 387.391 2.896 20 0 GFADRO [NH3+]C[C@H](NC(=O)c1ccc(Br)c(OC(F)(F)F)c1)C(F)(F)F ZINC000655515605 566062853 /nfs/dbraw/zinc/06/28/53/566062853.db2.gz OVAIBUIZEXVORU-QMMMGPOBSA-N 1 0 395.097 2.967 20 0 GFADRO Cc1c(C(=O)N[C@H](C[NH3+])C(F)(F)F)cnn1-c1ccc(Br)cc1 ZINC000655508792 566063059 /nfs/dbraw/zinc/06/30/59/566063059.db2.gz GTKOUHDKVFIJBI-GFCCVEGCSA-N 1 0 391.191 2.563 20 0 GFADRO Cc1cc(S(=O)(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)ccc1Cl ZINC000655539360 566065567 /nfs/dbraw/zinc/06/55/67/566065567.db2.gz QDNZTNLVLVUMQY-ROUUACIJSA-N 1 0 386.945 2.695 20 0 GFADRO COc1ccc(CCC(=O)N2CCC[C@H]3C[NH2+]CC[C@H]32)c(Br)c1 ZINC000632864975 566072149 /nfs/dbraw/zinc/07/21/49/566072149.db2.gz OFMTWYWBMLONSS-WMLDXEAASA-N 1 0 381.314 2.991 20 0 GFADRO O=C(c1ccc(-n2cc(Br)cn2)cc1)N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000632861987 566072390 /nfs/dbraw/zinc/07/23/90/566072390.db2.gz PZVAOUDQUMYIGM-YOEHRIQHSA-N 1 0 389.297 2.849 20 0 GFADRO COCCOc1ccc(Br)cc1NC(=O)N1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000632929500 566074959 /nfs/dbraw/zinc/07/49/59/566074959.db2.gz IEVDAOLRZFBOHQ-VXGBXAGGSA-N 1 0 386.290 2.533 20 0 GFADRO CNC(=O)c1cccc(NC(=O)N2CCCCC[C@H]([NH3+])C2)c1Br ZINC000632945060 566076355 /nfs/dbraw/zinc/07/63/55/566076355.db2.gz AQNUDDFOYCXRLQ-NSHDSACASA-N 1 0 383.290 2.544 20 0 GFADRO C[C@@H]1CN(C(=O)Nc2cnn(-c3ccccc3Br)c2)C[C@H]1C[NH3+] ZINC000632944578 566076402 /nfs/dbraw/zinc/07/64/02/566076402.db2.gz JSOULKUUSWTKRP-VXGBXAGGSA-N 1 0 378.274 2.693 20 0 GFADRO C[NH+](C)Cc1ccc(S(=O)(=O)N[C@H](C[C@@H]2CCCO2)C(F)(F)F)cc1 ZINC000655661751 566079259 /nfs/dbraw/zinc/07/92/59/566079259.db2.gz HVXBQSJBEQIWSA-DZGCQCFKSA-N 1 0 380.432 2.527 20 0 GFADRO [NH3+]C[C@H]1CC[C@H](NC(=O)C(=O)Nc2ccc(C(F)(F)F)cc2Cl)CC1 ZINC000633037056 566080427 /nfs/dbraw/zinc/08/04/27/566080427.db2.gz STFVGCLWLNMEGL-HOMQSWHASA-N 1 0 377.794 2.931 20 0 GFADRO CC1(C)C[NH2+]CC[C@@H](NC(=O)C(=O)Nc2cc(Cl)c(F)c(Cl)c2)C1 ZINC000633046627 566080567 /nfs/dbraw/zinc/08/05/67/566080567.db2.gz RSVKJZMZOAIVKN-SECBINFHSA-N 1 0 376.259 2.965 20 0 GFADRO [NH3+]C[C@H]1CC[C@H](NC(=O)C(=O)Nc2ccc(Cl)cc2OC(F)F)CC1 ZINC000633037652 566080586 /nfs/dbraw/zinc/08/05/86/566080586.db2.gz SWTBGCKZSAWPCB-HOMQSWHASA-N 1 0 375.803 2.514 20 0 GFADRO C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)Nc1cccc(Cl)c1SCC(F)F ZINC000633040370 566080612 /nfs/dbraw/zinc/08/06/12/566080612.db2.gz XBBRNGZHDXAVAN-DTWKUNHWSA-N 1 0 377.844 2.584 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000633035749 566080711 /nfs/dbraw/zinc/08/07/11/566080711.db2.gz FSRUUFARLHGSDF-YEORSEQZSA-N 1 0 382.302 2.584 20 0 GFADRO CC(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1Cl ZINC000655668777 566080763 /nfs/dbraw/zinc/08/07/63/566080763.db2.gz IWXWHQHZQXTQHY-SJORKVTESA-N 1 0 385.917 2.594 20 0 GFADRO CCOc1c(Cl)cc(NC(=O)C(=O)N[C@H]2CC[C@H](C[NH3+])CC2)cc1Cl ZINC000633037105 566080873 /nfs/dbraw/zinc/08/08/73/566080873.db2.gz OJAWIEKWCZSLNT-XYPYZODXSA-N 1 0 388.295 2.964 20 0 GFADRO Cc1nn(-c2ccccc2Br)cc1C[NH2+]CCCN1CCOCC1 ZINC000655703924 566083040 /nfs/dbraw/zinc/08/30/40/566083040.db2.gz NNNOHZJKVNGYHW-UHFFFAOYSA-N 1 0 393.329 2.755 20 0 GFADRO Cc1nn(-c2ccccc2Br)cc1C[NH2+][C@@H]1CCCCNC1=O ZINC000655717144 566084632 /nfs/dbraw/zinc/08/46/32/566084632.db2.gz VOHKDFWCJWIQKV-OAHLLOKOSA-N 1 0 377.286 2.702 20 0 GFADRO COCC[C@](C)(O)C[NH2+]Cc1cn(-c2ccccc2Br)nc1C ZINC000655734742 566085333 /nfs/dbraw/zinc/08/53/33/566085333.db2.gz ABNUUZKHZMDQOG-KRWDZBQOSA-N 1 0 382.302 2.820 20 0 GFADRO O=c1cc(C[N@@H+]2CC[C@H](Cc3ccncc3)C2)nc2ccc(Br)cn12 ZINC000680888661 566087048 /nfs/dbraw/zinc/08/70/48/566087048.db2.gz CWOIQSHSTUHZCI-OAHLLOKOSA-N 1 0 399.292 2.917 20 0 GFADRO O=C1[C@H]([NH2+][C@H]2CCc3cc(Br)ccc3C2)CCN1C1CCOCC1 ZINC000680874584 566087090 /nfs/dbraw/zinc/08/70/90/566087090.db2.gz BWMZFZLCNMYWIZ-FUHWJXTLSA-N 1 0 393.325 2.676 20 0 GFADRO Cc1nn(-c2cccc(Br)c2)cc1C[NH2+][C@@H](CO)C1CCOCC1 ZINC000655757754 566087134 /nfs/dbraw/zinc/08/71/34/566087134.db2.gz KQPAMYCUVFHBDP-SFHVURJKSA-N 1 0 394.313 2.820 20 0 GFADRO Brc1cc2c(c(C[NH2+]C3CCN([C@@H]4CCOC4)CC3)c1)OCC2 ZINC000655755176 566087450 /nfs/dbraw/zinc/08/74/50/566087450.db2.gz RMUMJSRDSMMCIM-QGZVFWFLSA-N 1 0 381.314 2.727 20 0 GFADRO Cc1nn(-c2ccccc2Br)cc1C[NH2+][C@H]1C(=O)NCC[C@H]1C ZINC000655769819 566088584 /nfs/dbraw/zinc/08/85/84/566088584.db2.gz PJMHKAXWWGMYEU-BDJLRTHQSA-N 1 0 377.286 2.557 20 0 GFADRO Cc1nn(-c2ccccc2Br)cc1C[NH2+]C[C@H](CO)[C@H]1CCOC1 ZINC000655768349 566088857 /nfs/dbraw/zinc/08/88/57/566088857.db2.gz WLMWYMCYTJJQPR-GOEBONIOSA-N 1 0 394.313 2.678 20 0 GFADRO Cc1nn(-c2cccc(Br)c2)cc1C[NH2+]CCCc1ncn(C)n1 ZINC000655788802 566089795 /nfs/dbraw/zinc/08/97/95/566089795.db2.gz PGJABWQCLKHPBG-UHFFFAOYSA-N 1 0 389.301 2.794 20 0 GFADRO Cc1nn(-c2ccccc2Br)cc1C[NH2+][C@H](CO)[C@@H]1CCCOC1 ZINC000655781796 566090287 /nfs/dbraw/zinc/09/02/87/566090287.db2.gz SLNGRIGYIFUPNT-RHSMWYFYSA-N 1 0 394.313 2.820 20 0 GFADRO C[C@H](c1ccccc1)[C@H](CO)[NH2+]C[C@@H](O)COc1ccc(Br)cc1 ZINC000680989182 566090780 /nfs/dbraw/zinc/09/07/80/566090780.db2.gz DQDXUTBTDKPEKL-BJZITVGISA-N 1 0 394.309 2.943 20 0 GFADRO CC1([NH+]2CCCC2)CCN(C(=O)NCCCn2cc(Br)cn2)CC1 ZINC000633242881 566092093 /nfs/dbraw/zinc/09/20/93/566092093.db2.gz ILKFZNGBXQAQGM-UHFFFAOYSA-N 1 0 398.349 2.696 20 0 GFADRO Cc1nc(-c2ccc(CCNC(=O)N[C@@H](C[NH3+])C(F)(F)F)s2)cs1 ZINC000655912038 566095568 /nfs/dbraw/zinc/09/55/68/566095568.db2.gz JGTRJIQULWZEHP-LBPRGKRZSA-N 1 0 378.445 2.911 20 0 GFADRO CN(CCCC[NH+](C)C)C(=O)c1cc(I)ccc1F ZINC000610773380 566098501 /nfs/dbraw/zinc/09/85/01/566098501.db2.gz QVLCIHDCBIRWHO-UHFFFAOYSA-N 1 0 378.229 2.844 20 0 GFADRO COC1CC[NH+](CCNC(=O)CCc2ccc(C)cc2Br)CC1 ZINC000681236780 566098918 /nfs/dbraw/zinc/09/89/18/566098918.db2.gz IJPHKJVIFYSCJO-UHFFFAOYSA-N 1 0 383.330 2.917 20 0 GFADRO COCC[N@@H+]1CCC[C@H](NC(=O)CCc2ccc(C)cc2Br)C1 ZINC000681229089 566099104 /nfs/dbraw/zinc/09/91/04/566099104.db2.gz AUQVYIKKGXKPGV-INIZCTEOSA-N 1 0 383.330 2.917 20 0 GFADRO Cc1c(Br)cccc1CS(=O)(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000655950532 566099296 /nfs/dbraw/zinc/09/92/96/566099296.db2.gz NBIOCHZPWTUWIQ-STQMWFEESA-N 1 0 375.332 2.565 20 0 GFADRO CC[C@@H]([NH2+]C[C@H]1CCS(=O)(=O)C1)c1ccc(I)cc1 ZINC000610798342 566100559 /nfs/dbraw/zinc/10/05/59/566100559.db2.gz RFGCENNKZNGTST-BXUZGUMPSA-N 1 0 393.290 2.767 20 0 GFADRO C[C@@H]([NH2+]CCOC[C@@H]1CCOC1)c1ccccc1I ZINC000610815094 566101086 /nfs/dbraw/zinc/10/10/86/566101086.db2.gz PZHLQCGSMJJQFS-CHWSQXEVSA-N 1 0 375.250 2.995 20 0 GFADRO C[NH2+]CC1CCN(C(=O)C(=O)NCCCc2c(Cl)cccc2Cl)CC1 ZINC000656030025 566102379 /nfs/dbraw/zinc/10/23/79/566102379.db2.gz OBOFUDUDCLWMAW-UHFFFAOYSA-N 1 0 386.323 2.500 20 0 GFADRO CN(CCCC[NH+](C)C)C(=O)c1cc(I)c(F)cc1F ZINC000610933910 566106910 /nfs/dbraw/zinc/10/69/10/566106910.db2.gz BHRVJVUZGGQFKX-UHFFFAOYSA-N 1 0 396.219 2.983 20 0 GFADRO C[NH+]1CCC(CNC(=O)c2cccc(F)c2I)CC1 ZINC000611002447 566109870 /nfs/dbraw/zinc/10/98/70/566109870.db2.gz OANXVVYDYNOQSJ-UHFFFAOYSA-N 1 0 376.213 2.502 20 0 GFADRO C[NH+]1CCC(CCNC(=O)c2cccc(F)c2I)CC1 ZINC000611002561 566110078 /nfs/dbraw/zinc/11/00/78/566110078.db2.gz PKTAAJUSYCQHFY-UHFFFAOYSA-N 1 0 390.240 2.892 20 0 GFADRO Cc1nn(-c2ccccc2Br)cc1C[N@@H+]1CCC[C@@H](OCCO)C1 ZINC000656252087 566117045 /nfs/dbraw/zinc/11/70/45/566117045.db2.gz QWCPARVHUUFKGT-MRXNPFEDSA-N 1 0 394.313 2.917 20 0 GFADRO COc1cc(Br)ccc1CNC(=O)NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000681655717 566119680 /nfs/dbraw/zinc/11/96/80/566119680.db2.gz XHDLCZQLQCICHS-ZDUSSCGKSA-N 1 0 384.318 2.987 20 0 GFADRO COc1cc(Br)ccc1CNC(=O)N[C@H](C)C1CC[NH+](C)CC1 ZINC000681655631 566119997 /nfs/dbraw/zinc/11/99/97/566119997.db2.gz SPNSMHOSKZVILC-GFCCVEGCSA-N 1 0 384.318 2.987 20 0 GFADRO O=C(NCc1cccc(Cl)c1Cl)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000656290557 566121970 /nfs/dbraw/zinc/12/19/70/566121970.db2.gz BGCULHLXXPBHHQ-GJZGRUSLSA-N 1 0 384.307 2.743 20 0 GFADRO C[C@H](CNC(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)c1c(Cl)cccc1Cl ZINC000656310106 566123190 /nfs/dbraw/zinc/12/31/90/566123190.db2.gz ZAQRWXWVDGFHIJ-UPJWGTAASA-N 1 0 386.323 2.670 20 0 GFADRO Ic1ccc2c(c1)[C@H]([NH2+]CCCn1cncn1)CCCO2 ZINC000611472535 566132220 /nfs/dbraw/zinc/13/22/20/566132220.db2.gz CTUUDHJTOQRLKY-CQSZACIVSA-N 1 0 398.248 2.776 20 0 GFADRO Oc1ccc(C[NH2+]C[C@@H](O)COc2ccc(I)cc2)cc1 ZINC000611526614 566135185 /nfs/dbraw/zinc/13/51/85/566135185.db2.gz WWFOOMDUBCKAAH-OAHLLOKOSA-N 1 0 399.228 2.526 20 0 GFADRO CS(=O)(=O)Nc1cccc(C[NH2+]C[C@@]2(O)CCC[C@H](C(F)(F)F)C2)c1 ZINC000681983898 566136007 /nfs/dbraw/zinc/13/60/07/566136007.db2.gz RYFWWCFMRBBPTL-DZGCQCFKSA-N 1 0 380.432 2.631 20 0 GFADRO CSC[C@@H]([NH2+]CCCN(C)S(C)(=O)=O)c1ccc(C(F)(F)F)cc1 ZINC000611671345 566139524 /nfs/dbraw/zinc/13/95/24/566139524.db2.gz JHDAFCAGUBXCAT-CQSZACIVSA-N 1 0 384.489 2.981 20 0 GFADRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C[C@@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000682030824 566140453 /nfs/dbraw/zinc/14/04/53/566140453.db2.gz CESVGVGAUIGUIJ-ZIAGYGMSSA-N 1 0 391.339 2.510 20 0 GFADRO COc1cccc(OC(F)(F)F)c1C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000611924856 566145207 /nfs/dbraw/zinc/14/52/07/566145207.db2.gz IEKZOSGVKXQOOW-OAHLLOKOSA-N 1 0 378.416 2.761 20 0 GFADRO CCOC1CC[NH+](C[C@H](O)COc2cc(F)cc(Br)c2)CC1 ZINC000682186067 566146209 /nfs/dbraw/zinc/14/62/09/566146209.db2.gz BOUHCTJYIICVOB-AWEZNQCLSA-N 1 0 376.266 2.829 20 0 GFADRO O[C@H](COc1cc(F)cc(Br)c1)C[N@@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000682187301 566146592 /nfs/dbraw/zinc/14/65/92/566146592.db2.gz SCNRUAHEGIPCMW-CVEARBPZSA-N 1 0 398.276 2.862 20 0 GFADRO CCOc1ccc(Br)cc1S(=O)(=O)NC[C@@H]1CCC[N@@H+]1CC ZINC000612011309 566148631 /nfs/dbraw/zinc/14/86/31/566148631.db2.gz PKDGUMYXQUZOEJ-ZDUSSCGKSA-N 1 0 391.331 2.610 20 0 GFADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)Nc1ccc(Br)cc1C ZINC000682272567 566149269 /nfs/dbraw/zinc/14/92/69/566149269.db2.gz MNQNKLKVMOHKBF-AWEZNQCLSA-N 1 0 382.302 2.687 20 0 GFADRO COC1CC[NH+](CCNC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)CC1 ZINC000612058291 566150484 /nfs/dbraw/zinc/15/04/84/566150484.db2.gz XOJBAFABSDWOJY-LBPRGKRZSA-N 1 0 375.296 2.988 20 0 GFADRO Cc1cc(C(F)(F)F)ccc1C[NH2+][C@@H]1CCO[C@]2(CCS(=O)(=O)C2)C1 ZINC000682374372 566151064 /nfs/dbraw/zinc/15/10/64/566151064.db2.gz SBHPIBMZMBFGCI-HZPDHXFCSA-N 1 0 377.428 2.840 20 0 GFADRO CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)Nc2cc(F)ccc2Br)C1 ZINC000682356155 566151278 /nfs/dbraw/zinc/15/12/78/566151278.db2.gz QQFZDQLZIPAYFR-LBPRGKRZSA-N 1 0 386.265 2.516 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N2CCC[C@@H]([NH2+]C(C)C)C2)c(Br)c1 ZINC000682352714 566151651 /nfs/dbraw/zinc/15/16/51/566151651.db2.gz ULNUSOKADZRRQN-CQSZACIVSA-N 1 0 396.329 2.993 20 0 GFADRO CCNC(=O)c1cc(NC(=O)C2CC[NH+]([C@H]3CCSC3)CC2)c(C)s1 ZINC000634419207 566154877 /nfs/dbraw/zinc/15/48/77/566154877.db2.gz RTRSXONCUALHQB-AWEZNQCLSA-N 1 0 381.567 2.962 20 0 GFADRO Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[NH2+]CCC1CS(=O)(=O)C1 ZINC000682474997 566156111 /nfs/dbraw/zinc/15/61/11/566156111.db2.gz VKFKPJLMLZDDIE-UHFFFAOYSA-N 1 0 381.929 2.726 20 0 GFADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)Cc1ccc(Br)c(Cl)c1 ZINC000682492371 566157838 /nfs/dbraw/zinc/15/78/38/566157838.db2.gz FHXLPCKNRHDUJN-ZDUSSCGKSA-N 1 0 389.721 2.872 20 0 GFADRO O=S1(=O)CC(CC[NH2+][C@@H](c2ccc(Br)cc2)[C@H]2CCCO2)C1 ZINC000682498682 566158529 /nfs/dbraw/zinc/15/85/29/566158529.db2.gz OJZCEBGTYNFZGR-CVEARBPZSA-N 1 0 388.327 2.694 20 0 GFADRO C[NH+]1CCC2(CC1)CC(=O)NN(c1ccc(Cl)cc1Br)C2=O ZINC000634614062 566160844 /nfs/dbraw/zinc/16/08/44/566160844.db2.gz QJOGBQCMYHSJJU-UHFFFAOYSA-N 1 0 386.677 2.582 20 0 GFADRO C[C@@H](CNC(=O)C(=O)NCc1ccc(Cl)c(Cl)c1)C[NH+]1CCCCC1 ZINC000612416049 566160935 /nfs/dbraw/zinc/16/09/35/566160935.db2.gz ASGYERJEHGZFSO-ZDUSSCGKSA-N 1 0 386.323 2.848 20 0 GFADRO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)NCc1ccc(Cl)c(Cl)c1 ZINC000612417934 566161302 /nfs/dbraw/zinc/16/13/02/566161302.db2.gz DTSWXIRGRDWLBZ-ZDUSSCGKSA-N 1 0 386.323 2.846 20 0 GFADRO O=C(Cc1ccc(Br)cc1F)N1CC[C@@H](OCC[NH+]2CCCC2)C1 ZINC000612433347 566162766 /nfs/dbraw/zinc/16/27/66/566162766.db2.gz YAWBDSYVXXBQBX-MRXNPFEDSA-N 1 0 399.304 2.844 20 0 GFADRO CN(C)Cc1ccc([N-]S(=O)(=O)c2c3c(nn2C)CCCC3)cc1Cl ZINC000634658002 566166234 /nfs/dbraw/zinc/16/62/34/566166234.db2.gz MDLJTDCNDIKQPZ-UHFFFAOYSA-N 1 0 382.917 2.815 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)c1ncc(Br)cc1Br ZINC000682689703 566167655 /nfs/dbraw/zinc/16/76/55/566167655.db2.gz GOTJLCNSURGUTG-GHMZBOCLSA-N 1 0 391.107 2.819 20 0 GFADRO C[C@@H](CC(F)(F)F)CS(=O)(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000656871838 566172424 /nfs/dbraw/zinc/17/24/24/566172424.db2.gz GASBJTBROMGSGE-AWEZNQCLSA-N 1 0 378.460 2.943 20 0 GFADRO NC(=O)Cc1ccc(C[NH2+]C[C@H](O)COc2cc(Cl)cc(Cl)c2)cc1 ZINC000634714748 566172440 /nfs/dbraw/zinc/17/24/40/566172440.db2.gz QIRHZBMZCVKPOX-INIZCTEOSA-N 1 0 383.275 2.551 20 0 GFADRO CCn1c(CNC(=O)N[C@H]2CCC[N@H+](C)C2)nc2cc(Br)ccc21 ZINC000682851978 566173297 /nfs/dbraw/zinc/17/32/97/566173297.db2.gz FWFAWLPTFXAYJM-ZDUSSCGKSA-N 1 0 394.317 2.712 20 0 GFADRO COc1ccc(CCC(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)cc1Br ZINC000634748177 566174154 /nfs/dbraw/zinc/17/41/54/566174154.db2.gz PJSMWMXJSFPRBR-HDICACEKSA-N 1 0 381.314 2.848 20 0 GFADRO C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)[C@H]1[C@@H]3c4ccc(Br)cc4C[C@H]13)C2 ZINC000634741323 566174681 /nfs/dbraw/zinc/17/46/81/566174681.db2.gz YXOBIDPRZBNMPW-AFQPOQBFSA-N 1 0 375.310 2.793 20 0 GFADRO COc1cc(C(=O)N[C@@H]2CC[NH2+]CC(C)(C)C2)cc(OC)c1Br ZINC000634756585 566175003 /nfs/dbraw/zinc/17/50/03/566175003.db2.gz ZZAPKMNXYPTTPO-GFCCVEGCSA-N 1 0 385.302 2.974 20 0 GFADRO O=C(CNC(=O)c1sc2ccccc2c1Cl)N[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000634768667 566175030 /nfs/dbraw/zinc/17/50/30/566175030.db2.gz STGKABAEWUJPNU-ZMZPIMSZSA-N 1 0 377.897 2.543 20 0 GFADRO CCC1CCN(S(=O)(=O)NCC2CC[NH+](Cc3cccs3)CC2)CC1 ZINC000656888044 566175088 /nfs/dbraw/zinc/17/50/88/566175088.db2.gz ASSITPYWFUAATO-UHFFFAOYSA-N 1 0 385.599 2.917 20 0 GFADRO C[N@H+](CCNS(=O)(=O)Cc1cc(F)ccc1Br)C1CCCC1 ZINC000656895860 566177423 /nfs/dbraw/zinc/17/74/23/566177423.db2.gz BEQCOLWDDJZONS-UHFFFAOYSA-N 1 0 393.322 2.882 20 0 GFADRO C[NH+](C)[C@@H]1CCCN(S(=O)(=O)c2cc(Cl)cc(Br)c2)C1 ZINC000656899886 566178771 /nfs/dbraw/zinc/17/87/71/566178771.db2.gz XMPASJIAFADBCU-GFCCVEGCSA-N 1 0 381.723 2.817 20 0 GFADRO CCCOC[C@@H](Cc1cccc(Br)c1)NC(=O)N[C@]1(C)CC[NH2+]C1 ZINC000612902093 566179321 /nfs/dbraw/zinc/17/93/21/566179321.db2.gz QAGGYEMZFUVIMS-SJLPKXTDSA-N 1 0 398.345 2.838 20 0 GFADRO Ic1ccc(-c2nc([C@@H]3C[N@@H+]4CCC[C@@H]4CO3)no2)cc1 ZINC000612982230 566181377 /nfs/dbraw/zinc/18/13/77/566181377.db2.gz KJWQERDIXUVHJF-OLZOCXBDSA-N 1 0 397.216 2.877 20 0 GFADRO Cc1ccc(CNC(=O)N[C@@H](C)CC[NH+]2CCN(C)CC2)cc1Br ZINC000634919144 566184822 /nfs/dbraw/zinc/18/48/22/566184822.db2.gz HPBLDIQSEIUDAH-HNNXBMFYSA-N 1 0 397.361 2.583 20 0 GFADRO O=S1(=O)CCC[C@H]([NH2+][C@H](CCO)c2cccc(OC(F)(F)F)c2)CC1 ZINC000634984717 566188100 /nfs/dbraw/zinc/18/81/00/566188100.db2.gz AFSYLXQTJVBRNA-DZGCQCFKSA-N 1 0 381.416 2.566 20 0 GFADRO CNS(=O)(=O)Cc1ccc(C[NH2+]Cc2nc3ccc(F)cc3s2)cc1 ZINC000683203135 566188598 /nfs/dbraw/zinc/18/85/98/566188598.db2.gz URUNABQOMYPHSE-UHFFFAOYSA-N 1 0 379.482 2.774 20 0 GFADRO CN(CCCC[NH+](C)C)C(=O)c1cnc2ccc(Br)cc2c1O ZINC000683486020 566202846 /nfs/dbraw/zinc/20/28/46/566202846.db2.gz GVIAHWCKZOFSKQ-UHFFFAOYSA-N 1 0 380.286 2.704 20 0 GFADRO C[NH+](C)CC1(C(=O)N2CCN(C(=O)c3cccc(Cl)c3Cl)CC2)CC1 ZINC000635347492 566207464 /nfs/dbraw/zinc/20/74/64/566207464.db2.gz GYMQTYZLIKVXQM-UHFFFAOYSA-N 1 0 384.307 2.620 20 0 GFADRO C[NH+](C)[C@H]1C[C@@H](CNS(=O)(=O)c2cc(Cl)cc(Br)c2)C1 ZINC000657023436 566208085 /nfs/dbraw/zinc/20/80/85/566208085.db2.gz PPKSUBSYWQEEER-WVSHTKLVSA-N 1 0 381.723 2.721 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@@H](CNS(=O)(=O)c2ccc(Br)cc2)C1 ZINC000657033825 566208688 /nfs/dbraw/zinc/20/86/88/566208688.db2.gz NVBUONFXPVSILA-LBPRGKRZSA-N 1 0 375.332 2.848 20 0 GFADRO CN1CCC2(CC[NH+](C[C@@H](O)COc3ccc(Cl)c(Cl)c3)CC2)C1=O ZINC000683675875 566208891 /nfs/dbraw/zinc/20/88/91/566208891.db2.gz QPBFAMMCGNPPLS-CYBMUJFWSA-N 1 0 387.307 2.677 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@@H](CNS(=O)(=O)c2ccc(F)c(Br)c2)C1 ZINC000657035576 566210204 /nfs/dbraw/zinc/21/02/04/566210204.db2.gz ZJONLYMGVPKBMP-NSHDSACASA-N 1 0 393.322 2.987 20 0 GFADRO C[N@@H+]1CC[C@H](CC(=O)NC[C@@H]2CCN(c3cccc(Br)c3)C2)C1 ZINC000635419045 566212043 /nfs/dbraw/zinc/21/20/43/566212043.db2.gz KJOJHWJLAWNIHU-CABCVRRESA-N 1 0 380.330 2.733 20 0 GFADRO C[C@@H](CN(C)CCC[NH+](C)C)NS(=O)(=O)c1c(Cl)cccc1Cl ZINC000657072416 566217672 /nfs/dbraw/zinc/21/76/72/566217672.db2.gz YAGHNPNLDCJEJI-LBPRGKRZSA-N 1 0 382.357 2.544 20 0 GFADRO C[NH+](C)C[C@]1(O)CCCN(C(=O)CCCOc2ccccc2Br)C1 ZINC000683912966 566218571 /nfs/dbraw/zinc/21/85/71/566218571.db2.gz VCQLPPTWEJRRJZ-GOSISDBHSA-N 1 0 399.329 2.523 20 0 GFADRO C[C@@H](CCNS(=O)(=O)Cc1cc(Cl)ccc1Br)[NH+](C)C ZINC000657089774 566220780 /nfs/dbraw/zinc/22/07/80/566220780.db2.gz BVXGBPQSCJIWJY-JTQLQIEISA-N 1 0 383.739 2.862 20 0 GFADRO CCn1c(C[NH2+]C[C@@H]2CNc3ccnn3C2)nc2cc(Br)ccc21 ZINC000684204731 566230014 /nfs/dbraw/zinc/23/00/14/566230014.db2.gz YCZLIOCAHAKHEW-GFCCVEGCSA-N 1 0 389.301 2.847 20 0 GFADRO C[C@](O)(CO)C[NH2+]Cc1cc(Br)ccc1OCc1ccccc1 ZINC000684538491 566238013 /nfs/dbraw/zinc/23/80/13/566238013.db2.gz MQTSGSZGFJCLHF-GOSISDBHSA-N 1 0 380.282 2.861 20 0 GFADRO C[C@@H]([NH2+][C@@H]1CCN(c2ccccc2C(N)=O)C1)c1ccc(Br)cn1 ZINC000684553668 566238037 /nfs/dbraw/zinc/23/80/37/566238037.db2.gz SRKGJBGRZIQNKZ-TZMCWYRMSA-N 1 0 389.297 2.873 20 0 GFADRO C[C@H](N[C@H]1CC[N@H+](CC2CC2)C1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000684553750 566238234 /nfs/dbraw/zinc/23/82/34/566238234.db2.gz UHFOEOVXOJNXBY-JQWIXIFHSA-N 1 0 392.352 2.776 20 0 GFADRO CCn1ccnc1CN(C(=O)c1cccc2[nH]ncc21)[C@H]1CC12CC[NH2+]CC2 ZINC000261913494 570573327 /nfs/dbraw/zinc/57/33/27/570573327.db2.gz XXNHNVWIGRQLJN-SFHVURJKSA-N 1 0 378.480 2.564 20 0 GFADRO Cc1cc(N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)n2c3ccccc3nc2c1-c1nn[nH]n1 ZINC000737270080 598832100 /nfs/dbraw/zinc/83/21/00/598832100.db2.gz IPRDMTZIOPVJDY-GJZGRUSLSA-N 1 0 388.479 2.649 20 0 GFADRO O=C(CC[N@@H+]1CCC[C@@H](Oc2ccccc2)C1)Nc1sccc1-c1nn[nH]n1 ZINC000737845215 598833620 /nfs/dbraw/zinc/83/36/20/598833620.db2.gz XYPPUQAYBXJGFA-OAHLLOKOSA-N 1 0 398.492 2.800 20 0 GFADRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)Nc2cccc(-c3nn[nH]n3)c2)C1 ZINC000736268912 598877109 /nfs/dbraw/zinc/87/71/09/598877109.db2.gz VMFNQWGCPNUQKR-JKSUJKDBSA-N 1 0 383.500 2.985 20 0 GFADRO CC1CC[NH+](C[C@H]2CCCN(c3ncc(-c4nn[nH]n4)cc3Cl)C2)CC1 ZINC000736277452 598939885 /nfs/dbraw/zinc/93/98/85/598939885.db2.gz WLOSRQXEXXNEKX-CQSZACIVSA-N 1 0 375.908 2.863 20 0 GFADRO COc1cc(-c2nn[nH]n2)ccc1OCC[N@@H+]1CCCO[C@@H](c2ccccc2)C1 ZINC000737033359 598986718 /nfs/dbraw/zinc/98/67/18/598986718.db2.gz UHJVEHSGAAIAET-HXUWFJFHSA-N 1 0 395.463 2.718 20 0 GFADRO CCC[N@H+](CCC(=O)Nc1ccccc1-c1nn[nH]n1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000736472446 598989934 /nfs/dbraw/zinc/98/99/34/598989934.db2.gz WZECRPWQZRBQCT-KFKAGJAMSA-N 1 0 398.511 2.721 20 0 GFADRO O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)c1ccc(-c2nn[nH]n2)nc1 ZINC000738160943 598996728 /nfs/dbraw/zinc/99/67/28/598996728.db2.gz WNGWBDXXYZRBDI-UHFFFAOYSA-N 1 0 377.452 2.542 20 0 GFADRO O=C(NCc1ccccc1C[NH+]1CCCCCC1)c1ccc(-c2nn[nH]n2)nc1 ZINC000738117615 599006947 /nfs/dbraw/zinc/00/69/47/599006947.db2.gz UTAUTSFXOQYPRM-UHFFFAOYSA-N 1 0 391.479 2.568 20 0 GFADRO CC[NH+](CC)CCNC(=O)c1cccc(COc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000736531141 599018267 /nfs/dbraw/zinc/01/82/67/599018267.db2.gz RMVWCFPCWFHBKH-UHFFFAOYSA-N 1 0 394.479 2.517 20 0 GFADRO CN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000736812718 599029697 /nfs/dbraw/zinc/02/96/97/599029697.db2.gz GJPCZLCDGSLCMF-HXUWFJFHSA-N 1 0 390.491 2.880 20 0 GFADRO C[NH+](C)[C@@H](CNc1nc(C(F)(F)F)ccc1-c1nn[nH]n1)c1ccccc1 ZINC000736762822 599039054 /nfs/dbraw/zinc/03/90/54/599039054.db2.gz XKPCRTKQNJQTHS-ZDUSSCGKSA-N 1 0 377.374 2.995 20 0 GFADRO COC(=O)CC(C)(C)[NH2+]Cc1cccc(OCc2cccc(-c3nn[nH]n3)c2)c1 ZINC000736910749 599052573 /nfs/dbraw/zinc/05/25/73/599052573.db2.gz ATFIETDDWDFXJI-UHFFFAOYSA-N 1 0 395.463 2.877 20 0 GFADRO O=C(OCc1ccccc1-c1nn[nH]n1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000738235674 599057832 /nfs/dbraw/zinc/05/78/32/599057832.db2.gz UKHAUTKQIJIZCR-UHFFFAOYSA-N 1 0 377.448 2.822 20 0 GFADRO C[NH+](C)CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)[C@H]1C[C@@H]1C1CCCCC1 ZINC000736768187 599075429 /nfs/dbraw/zinc/07/54/29/599075429.db2.gz XLGCFNMUKMCETN-UXHICEINSA-N 1 0 396.539 2.973 20 0 GFADRO C[N@@H+]1CCC[C@H](CNC(=O)c2ccc(-c3nn[nH]n3)cc2)[C@H]1c1cccs1 ZINC000736858983 599085196 /nfs/dbraw/zinc/08/51/96/599085196.db2.gz WMRYRJMILAHHBW-WBVHZDCISA-N 1 0 382.493 2.741 20 0 GFADRO CC[N@H+](C)C[C@@H]1CCN(c2cc(C)c(-c3nn[nH]n3)c3nc4ccccc4n32)C1 ZINC000821164544 599100327 /nfs/dbraw/zinc/10/03/27/599100327.db2.gz GXOYFFSDVFKZPB-HNNXBMFYSA-N 1 0 390.495 2.754 20 0 GFADRO C[C@@H](C(=O)Nc1ccccc1-c1nn[nH]n1)[N@@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC000735559884 599134781 /nfs/dbraw/zinc/13/47/81/599134781.db2.gz ANIIXWUVZDDAHQ-RDJZCZTQSA-N 1 0 376.464 2.758 20 0 GFADRO O=C(C=Cc1ccccc1-c1nn[nH]n1)O[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000737803125 599221540 /nfs/dbraw/zinc/22/15/40/599221540.db2.gz RQCNACWCDCTSTR-RXQFDZFGSA-N 1 0 375.432 2.698 20 0 GFADRO Cc1c(NC(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)cccc1-c1nn[nH]n1 ZINC000822097280 607280211 /nfs/dbraw/zinc/28/02/11/607280211.db2.gz WJASRDWGHZAWNI-KRWDZBQOSA-N 1 0 383.431 2.739 20 0 GFADRO Cc1c(NC(=O)NCCC[N@@H+](C)Cc2ccccc2)cccc1-c1nn[nH]n1 ZINC000822096498 607287484 /nfs/dbraw/zinc/28/74/84/607287484.db2.gz OLGANPCBYHHZHK-UHFFFAOYSA-N 1 0 379.468 2.819 20 0 GFADRO C[NH+](C)[C@@H](CNc1c(-c2nn[nH]n2)cnc2c(F)ccc(F)c21)c1ccccc1 ZINC000736758902 599254575 /nfs/dbraw/zinc/25/45/75/599254575.db2.gz JSUVZJNQKOZHSA-INIZCTEOSA-N 1 0 395.417 2.830 20 0 GFADRO FC(F)(F)c1ccc(C[NH+]2CCN(c3ncccc3-c3nn[nH]n3)CC2)cc1 ZINC000822723728 599258320 /nfs/dbraw/zinc/25/83/20/599258320.db2.gz MHWGNIDTOPBQJD-UHFFFAOYSA-N 1 0 389.385 2.603 20 0 GFADRO c1coc([C@H](CNc2c(-c3nn[nH]n3)cnc3ccccc32)[NH+]2CCCC2)c1 ZINC000738449763 599258808 /nfs/dbraw/zinc/25/88/08/599258808.db2.gz VUJMMBNVMNDJBG-KRWDZBQOSA-N 1 0 375.436 2.679 20 0 GFADRO C[NH+](C)C1CCN(c2ccc(NCc3ccc(-c4nn[nH]n4)o3)cc2F)CC1 ZINC000821582968 607315844 /nfs/dbraw/zinc/31/58/44/607315844.db2.gz DKCPLBQONPJGTP-UHFFFAOYSA-N 1 0 385.447 2.741 20 0 GFADRO CC(C)n1c(Sc2cccc(F)c2-c2nn[nH]n2)nnc1[C@H]1CCC[NH2+]C1 ZINC000735961928 599265876 /nfs/dbraw/zinc/26/58/76/599265876.db2.gz WZQVAPFYUDBUJW-NSHDSACASA-N 1 0 388.476 2.796 20 0 GFADRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(CCC(=O)Nc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000736236727 599268428 /nfs/dbraw/zinc/26/84/28/599268428.db2.gz MFFWFEMOPOAJPW-GPMSIDNRSA-N 1 0 397.527 2.533 20 0 GFADRO Cc1cc(C)c(-c2nn[nH]n2)c(N2CC[N@H+](Cc3ccccc3)C(C)(C)C2)n1 ZINC000737247008 598246717 /nfs/dbraw/zinc/24/67/17/598246717.db2.gz XDEGQCSTDCXEOR-UHFFFAOYSA-N 1 0 377.496 2.979 20 0 GFADRO O[C@@H](C[NH+]1CCC(Oc2cccc(-c3nn[nH]n3)c2)CC1)c1ccccc1F ZINC000738381814 598249702 /nfs/dbraw/zinc/24/97/02/598249702.db2.gz NATNSHGNJIVWRX-IBGZPJMESA-N 1 0 383.427 2.583 20 0 GFADRO O=C(Nc1cccc(F)c1)C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2F)CC1 ZINC000738183830 598251829 /nfs/dbraw/zinc/25/18/29/598251829.db2.gz OKXOSUAMLIXTSK-UHFFFAOYSA-N 1 0 398.417 2.996 20 0 GFADRO Fc1ccc(C[NH+]2CCN(c3ccccc3-c3nn[nH]n3)CC2)c2ncccc12 ZINC000737648382 598251881 /nfs/dbraw/zinc/25/18/81/598251881.db2.gz JQZPTPVWTZLUMZ-UHFFFAOYSA-N 1 0 389.438 2.876 20 0 GFADRO C[NH+](C)CCCCC(=O)Nc1ccc(Oc2cccc(-c3nn[nH]n3)c2)nc1 ZINC000736758983 598260239 /nfs/dbraw/zinc/26/02/39/598260239.db2.gz LVAULDXJFZGIAJ-UHFFFAOYSA-N 1 0 381.440 2.724 20 0 GFADRO C[C@H](CNC(=O)Nc1cccc(Oc2ccc(-c3nn[nH]n3)cc2)c1)[NH+](C)C ZINC000736017085 598266182 /nfs/dbraw/zinc/26/61/82/598266182.db2.gz HXGQVTHJKMGQLA-CYBMUJFWSA-N 1 0 381.440 2.731 20 0 GFADRO CC(C)N(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000735881197 598270360 /nfs/dbraw/zinc/27/03/60/598270360.db2.gz GUDKCUKLTQBSNR-SFHVURJKSA-N 1 0 399.543 2.907 20 0 GFADRO C[NH+](C)C[C@@H]1CCCCN1C(=S)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000736761456 598323793 /nfs/dbraw/zinc/32/37/93/598323793.db2.gz FWVOBTYCJZWOSA-LBPRGKRZSA-N 1 0 379.921 2.633 20 0 GFADRO Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1Cc1cn2ccccc2c1-c1nn[nH]n1 ZINC000737512299 598368536 /nfs/dbraw/zinc/36/85/36/598368536.db2.gz YPPDAGYWAOFJTK-MRXNPFEDSA-N 1 0 376.468 2.807 20 0 GFADRO C[NH+](C)C(C)(C)CNC(=O)c1ccc(Oc2cccc(F)c2-c2nn[nH]n2)cc1 ZINC000736754073 598400298 /nfs/dbraw/zinc/40/02/98/598400298.db2.gz UOVCFXULUVJHJG-UHFFFAOYSA-N 1 0 398.442 2.868 20 0 GFADRO CCN(C(=S)NCC(C)(C)C[NH+](C)C)[C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000736508852 598416552 /nfs/dbraw/zinc/41/65/52/598416552.db2.gz OYDLMIUXGRTDGK-CQSZACIVSA-N 1 0 389.573 2.712 20 0 GFADRO C[C@H]1CO[C@H](c2ccccc2)C[N@@H+]1CCC(=O)Nc1ccccc1-c1nn[nH]n1 ZINC000736291556 598460879 /nfs/dbraw/zinc/46/08/79/598460879.db2.gz FPHNCZNNGFYXQO-KXBFYZLASA-N 1 0 392.463 2.657 20 0 GFADRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)N(Cc1ccc(-c2nn[nH]n2)cc1)C1CC1 ZINC000736263979 598479226 /nfs/dbraw/zinc/47/92/26/598479226.db2.gz AMXLLCOCLDINIH-JKSUJKDBSA-N 1 0 397.527 2.661 20 0 GFADRO O=C(Nc1ccc(-c2nn[nH]n2)c(Cl)c1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000738152096 598484704 /nfs/dbraw/zinc/48/47/04/598484704.db2.gz NJPGPARSKNZBQQ-ZDUSSCGKSA-N 1 0 375.864 2.612 20 0 GFADRO CC(C)Cc1ccc([C@@H](C)[NH2+]C[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)cc1 ZINC000735848833 598518306 /nfs/dbraw/zinc/51/83/06/598518306.db2.gz AKYNOSNGYBJFRQ-ZBFHGGJFSA-N 1 0 380.500 2.654 20 0 GFADRO CC(C)(C)[C@@H]([NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1ccc(F)cc1 ZINC000735589705 598527496 /nfs/dbraw/zinc/52/74/96/598527496.db2.gz NTMMQUFARCHDCE-LRDDRELGSA-N 1 0 384.463 2.621 20 0 GFADRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000736457358 598540360 /nfs/dbraw/zinc/54/03/60/598540360.db2.gz ODMJPWKDSMVGPZ-CRAIPNDOSA-N 1 0 385.516 2.882 20 0 GFADRO C[C@H]([NH2+][C@@H](C)c1ccc(-c2nn[nH]n2)cc1)C(=O)N(C)Cc1cccc(F)c1 ZINC000736132968 598596223 /nfs/dbraw/zinc/59/62/23/598596223.db2.gz QTRBVHPYLHQNDM-KBPBESRZSA-N 1 0 382.443 2.704 20 0 GFADRO C[C@@H]([NH2+][C@@H](C)c1ccc(-c2nn[nH]n2)cc1)C(=O)N(C)Cc1cccc(F)c1 ZINC000736132970 598596370 /nfs/dbraw/zinc/59/63/70/598596370.db2.gz QTRBVHPYLHQNDM-UONOGXRCSA-N 1 0 382.443 2.704 20 0 GFADRO C[C@@H]([NH2+]C1(CNC(=O)c2ccc(-c3nn[nH]n3)cn2)CCCC1)c1ccccc1 ZINC000736135902 598613514 /nfs/dbraw/zinc/61/35/14/598613514.db2.gz YXYRFTGLSMLHIA-OAHLLOKOSA-N 1 0 391.479 2.655 20 0 GFADRO C[C@H](CNC(=O)Nc1ccc(F)c(-c2nn[nH]n2)c1)[N@@H+]1CCc2ccccc2C1 ZINC000736017035 598627581 /nfs/dbraw/zinc/62/75/81/598627581.db2.gz HJAHZAHIPZWWMV-CYBMUJFWSA-N 1 0 395.442 2.574 20 0 GFADRO Cc1ccc([C@H](CNC(=O)Nc2ccc(F)c(-c3nn[nH]n3)c2)[NH+](C)C)cc1 ZINC000737321725 598629175 /nfs/dbraw/zinc/62/91/75/598629175.db2.gz VXMDLUIHXAMPGI-KRWDZBQOSA-N 1 0 383.431 2.739 20 0 GFADRO O=C(Nc1ccccc1O)C1CC[NH+](Cc2ccc(F)cc2-c2nn[nH]n2)CC1 ZINC000738189524 598679009 /nfs/dbraw/zinc/67/90/09/598679009.db2.gz HIUYNGHMLMJRJK-UHFFFAOYSA-N 1 0 396.426 2.562 20 0 GFADRO Fc1ccc(C[N@@H+]2CCC[C@@H](c3nnc4n3CCCCC4)C2)c(-c2nn[nH]n2)c1 ZINC000737647068 598679397 /nfs/dbraw/zinc/67/93/97/598679397.db2.gz CKUKHZXJJMKSKC-OAHLLOKOSA-N 1 0 396.474 2.703 20 0 GFADRO CC(C)[C@@H](C[NH+](C)C)NC(=O)c1cccc(Oc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000735707180 598701310 /nfs/dbraw/zinc/70/13/10/598701310.db2.gz GYOJZWZTGPFXFZ-LJQANCHMSA-N 1 0 394.479 2.975 20 0 GFADRO COC(=O)CC[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)Cc1ccc(F)c(F)c1 ZINC000736912724 598705523 /nfs/dbraw/zinc/70/55/23/598705523.db2.gz GEVVOTIUKDGMKJ-UHFFFAOYSA-N 1 0 387.390 2.710 20 0 GFADRO CC1CC[NH+](C[C@H]2CCCN(C(=O)NCc3ccc(-c4nn[nH]n4)cc3)C2)CC1 ZINC000736275107 598725509 /nfs/dbraw/zinc/72/55/09/598725509.db2.gz GVBAYPMIQAEXMV-GOSISDBHSA-N 1 0 397.527 2.520 20 0 GFADRO Cc1csc([C@H]2CCC[N@H+](CCC(=O)Nc3ccccc3-c3nn[nH]n3)C2)n1 ZINC000737455032 598761100 /nfs/dbraw/zinc/76/11/00/598761100.db2.gz LYXQNXDRMNSJRW-AWEZNQCLSA-N 1 0 397.508 2.840 20 0 GFADRO C[C@H]1c2ccccc2OCC[N@H+]1CCC(=O)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000736303478 598762985 /nfs/dbraw/zinc/76/29/85/598762985.db2.gz JWZCJGLJZSTOPJ-AWEZNQCLSA-N 1 0 378.436 2.651 20 0 GFADRO FC(F)(F)COCCC[NH+]1CCC(Oc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000737626034 598765628 /nfs/dbraw/zinc/76/56/28/598765628.db2.gz GMFRGVYGJKYFOY-UHFFFAOYSA-N 1 0 385.390 2.679 20 0 GFADRO C[C@H](C(=O)N1CCCCCC1)[NH+]1CCC(Oc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000735517559 598765963 /nfs/dbraw/zinc/76/59/63/598765963.db2.gz CIXJEWMYUHHYOU-MRXNPFEDSA-N 1 0 398.511 2.501 20 0 GFADRO CCCC[N@H+](C)CCNC(=O)c1ccccc1-c1ccccc1-c1nn[nH]n1 ZINC000736453094 598767561 /nfs/dbraw/zinc/76/75/61/598767561.db2.gz LXCMKECXKSDRAL-UHFFFAOYSA-N 1 0 378.480 2.995 20 0 GFADRO Cc1cccc(C(=O)N(CC[NH+](C)C)Cc2cccc(-c3nn[nH]n3)c2)c1C ZINC000737381912 598805945 /nfs/dbraw/zinc/80/59/45/598805945.db2.gz OZMWVIPNDHUMCP-UHFFFAOYSA-N 1 0 378.480 2.688 20 0 GFADRO C[C@H](c1ccc(-c2nn[nH]n2)cc1)[NH+]1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 ZINC000736267968 599309931 /nfs/dbraw/zinc/30/99/31/599309931.db2.gz VHSFDYBZMWRDOZ-HZPDHXFCSA-N 1 0 382.512 2.898 20 0 GFADRO CC(C)n1ccnc1CN1CCC[N@@H+]([C@H](C)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736197666 599316809 /nfs/dbraw/zinc/31/68/09/599316809.db2.gz NKMPYQPJYPCXED-QGZVFWFLSA-N 1 0 394.527 2.913 20 0 GFADRO C[C@@H](c1ccc(-c2nn[nH]n2)cc1)[NH+]1CCN(c2nc3ccccc3o2)CC1 ZINC000736199451 599316984 /nfs/dbraw/zinc/31/69/84/599316984.db2.gz PFDCXPYIXWEALR-AWEZNQCLSA-N 1 0 375.436 2.891 20 0 GFADRO Cc1ccc(N(C)C2CC[NH+]([C@@H](C)c3ccc(-c4nn[nH]n4)cc3)CC2)nn1 ZINC000737348160 599318021 /nfs/dbraw/zinc/31/80/21/599318021.db2.gz UZSZHOSBZZAAEJ-HNNXBMFYSA-N 1 0 378.484 2.627 20 0 GFADRO Cc1cccnc1[C@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1-c1nn[nH]n1)C(C)C ZINC000737436038 599355844 /nfs/dbraw/zinc/35/58/44/599355844.db2.gz QNECVTSGNZQFOL-WMLDXEAASA-N 1 0 379.468 2.884 20 0 GFADRO CCc1cc(N2CCC[C@H]([NH2+][C@@H](C)c3ccc(-c4nn[nH]n4)cc3)C2)ncn1 ZINC000821471335 599376195 /nfs/dbraw/zinc/37/61/95/599376195.db2.gz ZXJPVEGYODNFMC-KSSFIOAISA-N 1 0 378.484 2.539 20 0 GFADRO C[C@@H]([NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1)C(=O)N1CCc2sccc2C1 ZINC000820410735 599388061 /nfs/dbraw/zinc/38/80/61/599388061.db2.gz GBKCQSFBXCWAMT-QWHCGFSZSA-N 1 0 382.493 2.552 20 0 GFADRO COc1ccc(C[NH2+]Cc2ccc(N3CCCCC3)nc2)cc1-c1nn[nH]n1 ZINC000821818241 599407725 /nfs/dbraw/zinc/40/77/25/599407725.db2.gz LVMIPKFDBJKTJW-UHFFFAOYSA-N 1 0 379.468 2.550 20 0 GFADRO COc1ccc(C)cc1C1(C[NH2+]Cc2ccc(-c3nn[nH]n3)o2)CCOCC1 ZINC000821782845 599414670 /nfs/dbraw/zinc/41/46/70/599414670.db2.gz PVMQNUNWCHEIJO-UHFFFAOYSA-N 1 0 383.452 2.615 20 0 GFADRO COc1ccc(C[NH2+][C@@H](C)CCc2ccc3c(c2)OCO3)cc1-c1nn[nH]n1 ZINC000821798578 599419846 /nfs/dbraw/zinc/41/98/46/599419846.db2.gz GFTXIQKLZROKDK-ZDUSSCGKSA-N 1 0 381.436 2.715 20 0 GFADRO COc1ccc(C[NH2+]Cc2cccc(OC)c2OC(F)F)cc1-c1nn[nH]n1 ZINC000821818504 599437515 /nfs/dbraw/zinc/43/75/15/599437515.db2.gz TZFFGXCYDDVURS-UHFFFAOYSA-N 1 0 391.378 2.775 20 0 GFADRO CN(C)c1ccc(N2CCC([NH2+]Cc3cccc(-c4nn[nH]n4)c3)CC2)cc1 ZINC000821589269 599452293 /nfs/dbraw/zinc/45/22/93/599452293.db2.gz GLLCEDDQAYIUJJ-UHFFFAOYSA-N 1 0 377.496 2.691 20 0 GFADRO Cc1ccc(N2CCC[C@H]([NH2+]Cc3cnc4ccc(-c5nn[nH]n5)cn34)C2)cc1 ZINC000822240926 599454240 /nfs/dbraw/zinc/45/42/40/599454240.db2.gz FFCXWMBPYAGQQK-KRWDZBQOSA-N 1 0 388.479 2.581 20 0 GFADRO O[C@H]1CCC[C@@H]1C[NH2+]Cc1cccc(OCc2ccccc2-c2nn[nH]n2)c1 ZINC000823697377 599459275 /nfs/dbraw/zinc/45/92/75/599459275.db2.gz KIKXJOUBHZQGRY-UZLBHIALSA-N 1 0 379.464 2.696 20 0 GFADRO C[C@H](NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cccc(-c2nn[nH]n2)c1 ZINC000820360344 599481597 /nfs/dbraw/zinc/48/15/97/599481597.db2.gz YFCYIKKHQZOSDL-KXBFYZLASA-N 1 0 391.479 2.501 20 0 GFADRO CCN(CC)[C@H](C[NH2+]Cc1cnc2ccc(-c3nn[nH]n3)cn12)c1ccsc1 ZINC000736535559 599485055 /nfs/dbraw/zinc/48/50/55/599485055.db2.gz YSSZXLLDLHQBHU-QGZVFWFLSA-N 1 0 396.524 2.749 20 0 GFADRO c1nc2ccc(-c3nn[nH]n3)cn2c1C[NH2+]CCCc1nc2c(s1)CCCC2 ZINC000738420874 599490228 /nfs/dbraw/zinc/49/02/28/599490228.db2.gz NNDRZORQRBSXIK-UHFFFAOYSA-N 1 0 394.508 2.572 20 0 GFADRO CC[NH+](CC)[C@@H](CNc1c(-c2nn[nH]n2)cnc2ccccc21)c1ccco1 ZINC000821182683 599500351 /nfs/dbraw/zinc/50/03/51/599500351.db2.gz XHPKGNAKXYJYSJ-KRWDZBQOSA-N 1 0 377.452 2.925 20 0 GFADRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821197350 599545934 /nfs/dbraw/zinc/54/59/34/599545934.db2.gz JGASHNQRBGYUDY-SFHVURJKSA-N 1 0 390.491 2.851 20 0 GFADRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)Nc1cc(-c2nn[nH]n2)cn1C(C)(C)C ZINC000821599132 599553427 /nfs/dbraw/zinc/55/34/27/599553427.db2.gz GRFURTJRDYFLIB-OAHLLOKOSA-N 1 0 388.520 2.761 20 0 GFADRO Cc1cc(N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)n2c3ccccc3nc2c1-c1nn[nH]n1 ZINC000822205673 599578020 /nfs/dbraw/zinc/57/80/20/599578020.db2.gz DPFKYHJITFRTCV-CABCVRRESA-N 1 0 390.495 2.895 20 0 GFADRO C[C@H]1CCN(CCOc2ccc(-c3nn[nH]n3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000820722884 599591140 /nfs/dbraw/zinc/59/11/40/599591140.db2.gz RALWJAKEHDLUJJ-SFHVURJKSA-N 1 0 392.507 2.842 20 0 GFADRO CC[C@@](C)([NH2+]CCC(=O)Nc1sccc1-c1nn[nH]n1)c1nc(C)cs1 ZINC000820853961 599645054 /nfs/dbraw/zinc/64/50/54/599645054.db2.gz QEFLCIDTGFMSDX-MRXNPFEDSA-N 1 0 391.526 2.937 20 0 GFADRO Cc1ccc2ncc(C[NH2+]CCSCc3ccccc3-c3nn[nH]n3)n2c1 ZINC000822284005 607389678 /nfs/dbraw/zinc/38/96/78/607389678.db2.gz GCCLAOXPBLOFAY-UHFFFAOYSA-N 1 0 379.493 2.846 20 0 GFADRO CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](C(=O)[O-])c3cccc(Cl)c3)cn2)CC1 ZINC000737121514 600424626 /nfs/dbraw/zinc/42/46/26/600424626.db2.gz BNMBWAYNOILDMI-LJQANCHMSA-N 1 0 388.899 2.792 20 0 GFADRO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC2(c3cccc(-c4nn[nH]n4)c3)CC2)C1 ZINC000824935987 607453127 /nfs/dbraw/zinc/45/31/27/607453127.db2.gz DJXCMRZBLIRFSY-HNNXBMFYSA-N 1 0 397.527 2.666 20 0 GFADRO c1ccc2c(c1)nc(N1CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C1)cc2-c1nn[nH]n1 ZINC000823791482 607472443 /nfs/dbraw/zinc/47/24/43/607472443.db2.gz DBXYTTQPOSKKQV-LIRRHRJNSA-N 1 0 375.480 2.868 20 0 GFADRO c1ccc2c(c1)nc(-c1nn[nH]n1)cc2N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000823792219 607472641 /nfs/dbraw/zinc/47/26/41/607472641.db2.gz QAFBJEAZKPCHRY-IFXJQAMLSA-N 1 0 375.480 2.868 20 0 GFADRO CCOCCOCc1cccc(C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)c1 ZINC000821384315 607473997 /nfs/dbraw/zinc/47/39/97/607473997.db2.gz UVYSYXCWQAWLOW-UHFFFAOYSA-N 1 0 385.443 2.849 20 0 GFADRO CS[C@@H]1CCCC[N@@H+]([C@H](C)C(=O)Nc2oc(C)c(C)c2-c2nn[nH]n2)C1 ZINC000826227956 607475482 /nfs/dbraw/zinc/47/54/82/607475482.db2.gz ZZUKNAZRYMPMHT-DGCLKSJQSA-N 1 0 378.502 2.621 20 0 GFADRO O[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)COc1cccc2ccccc21 ZINC000823682396 607478242 /nfs/dbraw/zinc/47/82/42/607478242.db2.gz POQLMINKRLPBPB-QGZVFWFLSA-N 1 0 393.422 2.689 20 0 GFADRO COc1ccc(C[NH+]2CCC([C@@H](O)c3ccccc3)CC2)cc1-c1nn[nH]n1 ZINC000826193537 607482569 /nfs/dbraw/zinc/48/25/69/607482569.db2.gz GSVYOVYVOCPCSR-FQEVSTJZSA-N 1 0 379.464 2.821 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1cccc(C(=O)[O-])c1C ZINC000829765334 601015580 /nfs/dbraw/zinc/01/55/80/601015580.db2.gz QBHRIUMKHATCTB-MRXNPFEDSA-N 1 0 376.501 2.573 20 0 GFADRO COc1ccc(C[N@@H+]2CC[C@H](CNc3cccc(C)n3)C2)cc1-c1nn[nH]n1 ZINC000826194834 607504783 /nfs/dbraw/zinc/50/47/83/607504783.db2.gz XPQCRXKGDABGNZ-MRXNPFEDSA-N 1 0 379.468 2.513 20 0 GFADRO C[NH+](C)CC1CCC(NC(=O)N(Cc2ccc(-c3nn[nH]n3)cc2)C2CC2)CC1 ZINC000825859029 607561552 /nfs/dbraw/zinc/56/15/52/607561552.db2.gz BZSJBARNWHSPJS-UHFFFAOYSA-N 1 0 397.527 2.661 20 0 GFADRO COc1ccc(-c2nn[nH]n2)cc1CN1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000826183320 607564471 /nfs/dbraw/zinc/56/44/71/607564471.db2.gz MADDNTZHNYWOTC-MRXNPFEDSA-N 1 0 378.480 2.582 20 0 GFADRO COc1ccc(-c2nn[nH]n2)cc1C[N@H+](Cc1ccccc1)[C@H](CO)C(C)C ZINC000826182272 607639269 /nfs/dbraw/zinc/63/92/69/607639269.db2.gz GAWSBFICHQHIEK-LJQANCHMSA-N 1 0 381.480 2.894 20 0 GFADRO Cc1cc(-c2nn[nH]n2)ccc1C(=O)N[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000826247450 607668894 /nfs/dbraw/zinc/66/88/94/607668894.db2.gz DHCANRWCOUUKCW-YJBOKZPZSA-N 1 0 376.464 2.740 20 0 GFADRO Cc1cc(-c2nn[nH]n2)ccc1C(=O)NCc1cccc(C[N@@H+](C)C(C)C)c1 ZINC000826248984 607688322 /nfs/dbraw/zinc/68/83/22/607688322.db2.gz GMXZPLAMGFNPMT-UHFFFAOYSA-N 1 0 378.480 2.945 20 0 GFADRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC000824876701 607699134 /nfs/dbraw/zinc/69/91/34/607699134.db2.gz TYFWKWRLNFINPI-HUUCEWRRSA-N 1 0 393.495 2.603 20 0 GFADRO COc1cc(C[NH2+]C2(c3cccc(-c4nn[nH]n4)c3)CC2)cc(OC)c1OC ZINC000826179310 607704232 /nfs/dbraw/zinc/70/42/32/607704232.db2.gz IZOGRLNRTXHXIV-UHFFFAOYSA-N 1 0 381.436 2.671 20 0 GFADRO CC(C)[NH+]1CCN(C2CC[NH+]([C@H](C(=O)[O-])c3cccc(Cl)c3)CC2)CC1 ZINC000833498255 604938953 /nfs/dbraw/zinc/93/89/53/604938953.db2.gz DCFIGNBSTCZCJJ-IBGZPJMESA-N 1 0 379.932 2.956 20 0 GFADRO CC[C@@H]([NH2+][C@H](C)C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)C1CCOCC1 ZINC000820921072 606047793 /nfs/dbraw/zinc/04/77/93/606047793.db2.gz VLXSBXHVRZFHDQ-BDJLRTHQSA-N 1 0 392.891 2.642 20 0 GFADRO CC[N@H+](CCC(=O)Nc1cc(N)ccc1F)[C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000821207005 606100473 /nfs/dbraw/zinc/10/04/73/606100473.db2.gz HTUHYZJRXHDCSW-ZDUSSCGKSA-N 1 0 397.458 3.000 20 0 GFADRO Cn1cccc1[C@H]1CCCC[N@@H+]1CCC(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000822693861 606113021 /nfs/dbraw/zinc/11/30/21/606113021.db2.gz MGBCKNVWEICNSJ-GOSISDBHSA-N 1 0 379.468 2.761 20 0 GFADRO Fc1cc(-c2nn[nH]n2)ccc1N1CCC([NH2+]CCOc2ccccc2)CC1 ZINC000822744502 606126779 /nfs/dbraw/zinc/12/67/79/606126779.db2.gz VFKDXPXVGGGINR-UHFFFAOYSA-N 1 0 382.443 2.643 20 0 GFADRO CC[NH+](CC)CCO[C@H]1CCN(c2c(-c3nn[nH]n3)cnc3c(C)cccc32)C1 ZINC000821189932 606140602 /nfs/dbraw/zinc/14/06/02/606140602.db2.gz VZWKSWODQHJRCW-INIZCTEOSA-N 1 0 395.511 2.660 20 0 GFADRO S=C(Nc1ccccc1-c1nn[nH]n1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000823737234 606168664 /nfs/dbraw/zinc/16/86/64/606168664.db2.gz BQBRKXXFBKBBRD-UHFFFAOYSA-N 1 0 385.541 2.950 20 0 GFADRO C[C@H](c1ccccc1)[C@H](C)[NH2+][C@H]1CCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000820413727 606173279 /nfs/dbraw/zinc/17/32/79/606173279.db2.gz UZRCHDLOBJHQPR-DOXZYTNZSA-N 1 0 376.464 2.754 20 0 GFADRO COc1ccc([C@@H]2[C@H](COC(=O)c3ccc(-c4nn[nH]n4)s3)CC[N@@H+]2C)cc1 ZINC000821782263 606178751 /nfs/dbraw/zinc/17/87/51/606178751.db2.gz CHTBSXFETWGUBI-SUMWQHHRSA-N 1 0 399.476 2.787 20 0 GFADRO COc1ccc([C@H]2[C@@H](COC(=O)c3ccc(-c4nn[nH]n4)s3)CC[N@@H+]2C)cc1 ZINC000821782261 606178779 /nfs/dbraw/zinc/17/87/79/606178779.db2.gz CHTBSXFETWGUBI-DYVFJYSZSA-N 1 0 399.476 2.787 20 0 GFADRO O[C@H](C[C@@H]1CCC[N@@H+]1CCOc1ccc(-c2nn[nH]n2)cc1)c1cccs1 ZINC000823672385 606186825 /nfs/dbraw/zinc/18/68/25/606186825.db2.gz DMVNZSUFHLOZQS-DOTOQJQBSA-N 1 0 385.493 2.895 20 0 GFADRO CC[C@@H](C)[C@@H](C)[N@H+](CCS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)C1CC1 ZINC000820859470 606187165 /nfs/dbraw/zinc/18/71/65/606187165.db2.gz DXSQYUHQYRXNIP-ZIAGYGMSSA-N 1 0 377.514 2.539 20 0 GFADRO Cc1cccc(N2CCN(CCC[NH2+]Cc3cc(-c4nn[nH]n4)cs3)CC2)c1 ZINC000822309204 606210378 /nfs/dbraw/zinc/21/03/78/606210378.db2.gz PRGANCQHGKRKAK-UHFFFAOYSA-N 1 0 397.552 2.539 20 0 GFADRO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000821189819 606482158 /nfs/dbraw/zinc/48/21/58/606482158.db2.gz UYYKIOAKXSDPDC-UHFFFAOYSA-N 1 0 399.421 2.995 20 0 GFADRO C[N@@H+]1CCC[C@H](CNC(=O)c2cc(-c3nn[nH]n3)cs2)[C@@H]1c1cccs1 ZINC000821623587 606518004 /nfs/dbraw/zinc/51/80/04/606518004.db2.gz NTWXOIKYQRWJIJ-IAQYHMDHSA-N 1 0 388.522 2.803 20 0 GFADRO Cc1oc(-n2cccc2)c(-c2nn[nH]n2)c1C(=O)NCCC[N@H+]1CCCC[C@H]1C ZINC000822542046 606524515 /nfs/dbraw/zinc/52/45/15/606524515.db2.gz TWEKGGJTFXVAIE-CQSZACIVSA-N 1 0 397.483 2.553 20 0 GFADRO C[C@H]([NH2+]C(C)(C)CNC(=O)Cc1cccc(-c2nn[nH]n2)c1)c1ccccc1 ZINC000820404283 606550202 /nfs/dbraw/zinc/55/02/02/606550202.db2.gz RMQMJSMONAHITG-HNNXBMFYSA-N 1 0 378.480 2.655 20 0 GFADRO C[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(-c3nn[nH]n3)s2)[C@H]1c1cccs1 ZINC000821623381 606572910 /nfs/dbraw/zinc/57/29/10/606572910.db2.gz KEDGSVQJSDLMCX-NHYWBVRUSA-N 1 0 388.522 2.803 20 0 GFADRO OCC1CC[NH+](Cc2cccc(NCc3cccc(-c4nn[nH]n4)c3)c2)CC1 ZINC000823714172 606657814 /nfs/dbraw/zinc/65/78/14/606657814.db2.gz KXOSYJNARDUWNM-UHFFFAOYSA-N 1 0 378.480 2.683 20 0 GFADRO C[C@H](c1ccccc1)N1CC[C@H]([NH2+]CCOc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000820571033 606722501 /nfs/dbraw/zinc/72/25/01/606722501.db2.gz UWIBTVRQWIOKQV-APWZRJJASA-N 1 0 378.480 2.671 20 0 GFADRO CCN1C[C@H](C)[C@H]([NH2+]Cc2cccc(OCc3ccccc3-c3nn[nH]n3)c2)C1 ZINC000821242580 606732831 /nfs/dbraw/zinc/73/28/31/606732831.db2.gz VJONUUVCLNTENP-HRAATJIYSA-N 1 0 392.507 2.876 20 0 GFADRO CC(C)(C)OC(=O)C[C@@H]1CCC[N@H+](CCOc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000819927981 606753284 /nfs/dbraw/zinc/75/32/84/606753284.db2.gz FCYXQHJVAXLWGP-HNNXBMFYSA-N 1 0 387.484 2.689 20 0 GFADRO CC(C)(C[NH2+][C@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1)Cc1cccc(Cl)c1 ZINC000819983672 606769127 /nfs/dbraw/zinc/76/91/27/606769127.db2.gz AOTVGRFCWNSZCA-KRWDZBQOSA-N 1 0 398.898 2.905 20 0 GFADRO CC(C)[N@H+]1C[C@H](NC(=O)Nc2ccc(-c3nn[nH]n3)c(C(F)(F)F)c2)[C@@H](C)C1 ZINC000820752575 606835724 /nfs/dbraw/zinc/83/57/24/606835724.db2.gz OOQPBXQPEWYEFG-HZMBPMFUSA-N 1 0 397.405 2.736 20 0 GFADRO O[C@@H](C[N@@H+](Cc1cccs1)C[C@H]1CCCO1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823672555 606846703 /nfs/dbraw/zinc/84/67/03/606846703.db2.gz FMPHKCLQSRXCPL-AEFFLSMTSA-N 1 0 385.493 2.643 20 0 GFADRO CC1(C)CO[C@H](c2ccccc2)C[N@@H+]1C[C@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000820606947 606893382 /nfs/dbraw/zinc/89/33/82/606893382.db2.gz GPUHKDUGBHXYGP-OALUTQOASA-N 1 0 379.464 2.752 20 0 GFADRO C[N@H+](C[C@H](O)c1ccc(-c2nn[nH]n2)cc1)[C@H]1CCCN(c2ccccc2)C1 ZINC000821595022 606908261 /nfs/dbraw/zinc/90/82/61/606908261.db2.gz KNFQKQRKLMQLJL-PMACEKPBSA-N 1 0 378.480 2.501 20 0 GFADRO CC(C)[C@@H]1c2ccccc2CC[N@H+]1CC(=O)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000820050680 606916765 /nfs/dbraw/zinc/91/67/65/606916765.db2.gz FACQJPIDMJFSJT-OAQYLSRUSA-N 1 0 390.491 2.738 20 0 GFADRO O=C(Nc1ccccc1)C1CC[NH+](Cc2ccc(F)c(-c3nn[nH]n3)c2)CC1 ZINC000823366982 606960278 /nfs/dbraw/zinc/96/02/78/606960278.db2.gz BPMIWNVNHRGZOS-UHFFFAOYSA-N 1 0 380.427 2.857 20 0 GFADRO CC(C)(C)OC(=O)NC[C@@H]1CCC[N@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC000819940005 606965021 /nfs/dbraw/zinc/96/50/21/606965021.db2.gz NHIVPXOJHQXNIJ-AWEZNQCLSA-N 1 0 390.463 2.743 20 0 GFADRO CC[N@H+](Cc1ccc(C(=O)N(C)C)cc1)Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC000821220909 606968358 /nfs/dbraw/zinc/96/83/58/606968358.db2.gz FZVZORPQRBTCHI-UHFFFAOYSA-N 1 0 382.443 2.730 20 0 GFADRO CC(C)(Oc1ccc(-c2nn[nH]n2)cc1)C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000819992484 607040638 /nfs/dbraw/zinc/04/06/38/607040638.db2.gz ZHVOLTUJXJMIQW-KRWDZBQOSA-N 1 0 398.511 2.501 20 0 GFADRO Cc1nc(C)c([C@@H](C)[NH2+]C2CCN(c3ccc(-c4nn[nH]n4)cn3)CC2)s1 ZINC000822427074 607047186 /nfs/dbraw/zinc/04/71/86/607047186.db2.gz BZVNRHNXGXBDQB-GFCCVEGCSA-N 1 0 384.513 2.655 20 0 GFADRO C[N@H+](Cc1cc(F)ccc1-c1nn[nH]n1)C1CCN(CCc2ccccn2)CC1 ZINC000821607644 607068467 /nfs/dbraw/zinc/06/84/67/607068467.db2.gz XVYMQBMRDBZZBH-UHFFFAOYSA-N 1 0 395.486 2.540 20 0 GFADRO C[C@@H](Cc1ccc(O)cc1)[N@H+](C)Cc1nnc(-c2ccc(-c3nn[nH]n3)cc2)o1 ZINC000820300629 607078269 /nfs/dbraw/zinc/07/82/69/607078269.db2.gz RXZUJISKBOWWRK-ZDUSSCGKSA-N 1 0 391.435 2.685 20 0 GFADRO CCC1(CC)[C@@H](OC)C[C@@H]1[N@H+](C)CCC(=O)Nc1ccccc1-c1nn[nH]n1 ZINC000820955642 607105932 /nfs/dbraw/zinc/10/59/32/607105932.db2.gz DGWLREAKKAQVKL-IRXDYDNUSA-N 1 0 386.500 2.721 20 0 GFADRO COC(=O)CC1([NH2+]Cc2ccc(-c3nn[nH]n3)cc2OC(F)F)CCCCC1 ZINC000821658799 607120593 /nfs/dbraw/zinc/12/05/93/607120593.db2.gz IULSMMWFJAYDAU-UHFFFAOYSA-N 1 0 395.410 2.824 20 0 GFADRO CSC[C@H]1CCC[N@@H+]1CCC(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2 ZINC000821961566 607148468 /nfs/dbraw/zinc/14/84/68/607148468.db2.gz KJZOPFDDIFFZJH-LLVKDONJSA-N 1 0 392.554 2.573 20 0 GFADRO C[C@H]1C[NH+](CCCCNc2cc(-c3nn[nH]n3)nc3ccccc32)C[C@H](C)O1 ZINC000820761621 607173787 /nfs/dbraw/zinc/17/37/87/607173787.db2.gz YSOLDDVPFRELIG-GJZGRUSLSA-N 1 0 381.484 2.716 20 0 GFADRO O=C(CC[N@@H+]1CCC[C@@H](Nc2ccccc2)C1)Nc1sccc1-c1nn[nH]n1 ZINC000822964905 607177999 /nfs/dbraw/zinc/17/79/99/607177999.db2.gz SNWBIJLXFGTWRL-OAHLLOKOSA-N 1 0 397.508 2.833 20 0 GFADRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)Nc1ccc(-c2nn[nH]n2)cc1Cl ZINC000820709075 607199201 /nfs/dbraw/zinc/19/92/01/607199201.db2.gz CTLRVVFUHOTDGE-NEPJUHHUSA-N 1 0 377.880 2.762 20 0 GFADRO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)Nc1ccc(-c2nn[nH]n2)cc1Cl ZINC000821583200 607199972 /nfs/dbraw/zinc/19/99/72/607199972.db2.gz MCSSRTOLBZASCA-HNNXBMFYSA-N 1 0 399.886 2.815 20 0 GFADRO OC[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)Cc1ccc(C(F)(F)F)cc1 ZINC000823707086 607230114 /nfs/dbraw/zinc/23/01/14/607230114.db2.gz WJENQBWXAWJVAX-OAHLLOKOSA-N 1 0 391.397 2.826 20 0 GFADRO Fc1ccc2c(c1)[C@H]([NH+]1CCN(c3ncccc3-c3nn[nH]n3)CC1)CCC2 ZINC000826376284 607794965 /nfs/dbraw/zinc/79/49/65/607794965.db2.gz WKEMMFWLEKXZGR-GOSISDBHSA-N 1 0 379.443 2.600 20 0 GFADRO C[C@H]([NH2+]CCS(=O)(=O)c1cccc(-c2nn[nH]n2)c1)c1ccc(Cl)cc1 ZINC000824598564 607814539 /nfs/dbraw/zinc/81/45/39/607814539.db2.gz GOERRYHFDKUQMT-LBPRGKRZSA-N 1 0 391.884 2.645 20 0 GFADRO C[C@@H]1CC[N@H+](CCS(=O)(=O)c2cccc(-c3nn[nH]n3)c2)[C@@H]2CCCC[C@H]12 ZINC000824952820 607815245 /nfs/dbraw/zinc/81/52/45/607815245.db2.gz BHFADKLCNNSHAR-ZTFGCOKTSA-N 1 0 389.525 2.541 20 0 GFADRO CC(C)[N@H+](CCC(=O)Nc1cccc(-c2nn[nH]n2)c1)CCc1nccs1 ZINC000824288962 607831404 /nfs/dbraw/zinc/83/14/04/607831404.db2.gz RNVBUHXWALOIDG-UHFFFAOYSA-N 1 0 385.497 2.605 20 0 GFADRO C[NH+](C)CC1CCN(c2ccc(Nc3cccc(-c4nn[nH]n4)n3)cc2)CC1 ZINC000825860844 607899843 /nfs/dbraw/zinc/89/98/43/607899843.db2.gz YHFNESLNKZSMLF-UHFFFAOYSA-N 1 0 378.484 2.783 20 0 GFADRO CC[C@@H]([NH2+]Cc1cc(-c2nn[nH]n2)cs1)[C@H](c1ccc(C)cc1)n1cncn1 ZINC000825141045 607911569 /nfs/dbraw/zinc/91/15/69/607911569.db2.gz MXTQCOZKJJBUGR-MSOLQXFVSA-N 1 0 394.508 2.986 20 0 GFADRO CC[C@H]([NH2+]Cc1cc(-c2nn[nH]n2)cs1)[C@@H](c1ccc(C)cc1)n1cncn1 ZINC000825141052 607911575 /nfs/dbraw/zinc/91/15/75/607911575.db2.gz MXTQCOZKJJBUGR-ZWKOTPCHSA-N 1 0 394.508 2.986 20 0 GFADRO COCC[N@H+](Cc1cccc(C(=O)OC)c1-c1nn[nH]n1)[C@H](C)c1ccccc1 ZINC000826158908 607921885 /nfs/dbraw/zinc/92/18/85/607921885.db2.gz IILBZVMPEYMZIA-OAHLLOKOSA-N 1 0 395.463 2.863 20 0 GFADRO CCC[N@H+](Cc1cccc(C(=O)OC)c1-c1nn[nH]n1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000825323343 607923610 /nfs/dbraw/zinc/92/36/10/607923610.db2.gz UCPDHYATUGUXSC-CGTJXYLNSA-N 1 0 399.495 2.679 20 0 GFADRO c1nc2ccccc2n1C[C@H]1CCC[N@H+]1CCOc1ccc(-c2nn[nH]n2)cc1 ZINC000826524508 607959089 /nfs/dbraw/zinc/95/90/89/607959089.db2.gz XRVWUVGMBVGDIG-QGZVFWFLSA-N 1 0 389.463 2.760 20 0 GFADRO CC1(C)C[N@H+](CCC(=O)Nc2ccccc2-c2nn[nH]n2)Cc2ccccc21 ZINC000824806889 607989801 /nfs/dbraw/zinc/98/98/01/607989801.db2.gz DTWIBAKBGCIWBS-UHFFFAOYSA-N 1 0 376.464 2.989 20 0 GFADRO CC[C@H](C)[C@@H](C(=O)Nc1n[nH]c(CCC[NH2+]C)c1-c1nn[nH]n1)c1ccccc1 ZINC000825052457 608020773 /nfs/dbraw/zinc/02/07/73/608020773.db2.gz XBTMXAXFZSBXDL-XJKSGUPXSA-N 1 0 396.499 2.510 20 0 GFADRO CC[C@@H](C)[C@H](C(=O)Nc1n[nH]c(CCC[NH2+]C)c1-c1nn[nH]n1)c1ccccc1 ZINC000825052455 608021006 /nfs/dbraw/zinc/02/10/06/608021006.db2.gz XBTMXAXFZSBXDL-CJNGLKHVSA-N 1 0 396.499 2.510 20 0 GFADRO CCC(CC)[C@H](C)C(=O)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000825094812 608050877 /nfs/dbraw/zinc/05/08/77/608050877.db2.gz CUWOGKAXHGITCK-INIZCTEOSA-N 1 0 384.528 2.973 20 0 GFADRO Cc1ccc([C@@H]2CC[N@H+](CCC(=O)Nc3cccc(-c4nn[nH]n4)c3)C2)cc1 ZINC000826286337 608127804 /nfs/dbraw/zinc/12/78/04/608127804.db2.gz YXHXVYTYSIPSMX-GOSISDBHSA-N 1 0 376.464 2.993 20 0 GFADRO CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@@H]21 ZINC000824108472 608129398 /nfs/dbraw/zinc/12/93/98/608129398.db2.gz GREBUBYXPAJOKL-OKZBNKHCSA-N 1 0 398.511 2.992 20 0 GFADRO CC[N@@H+]1C[C@H](C)N(C(=S)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)C[C@H]1C ZINC000825444287 608227117 /nfs/dbraw/zinc/22/71/17/608227117.db2.gz LGIYLOQIOOZTIR-MNOVXSKESA-N 1 0 379.921 2.631 20 0 GFADRO Cc1c(NC(=O)NCC2CCN(c3cc[nH+]cc3)CC2)cccc1-c1nn[nH]n1 ZINC000826241581 608270116 /nfs/dbraw/zinc/27/01/16/608270116.db2.gz IEIVVPIQIJILER-UHFFFAOYSA-N 1 0 392.467 2.608 20 0 GFADRO COc1ccc(C[NH2+][C@H](C)CC(=O)Nc2ccccc2C)cc1-c1nn[nH]n1 ZINC000826201895 608286408 /nfs/dbraw/zinc/28/64/08/608286408.db2.gz HVLXLEBFMNUOOK-CQSZACIVSA-N 1 0 380.452 2.691 20 0 GFADRO c1c2c(nc(N3CC[C@H]4[C@H](CCC[N@H+]4C4CC4)C3)c1-c1nn[nH]n1)CCCC2 ZINC000826512266 608299588 /nfs/dbraw/zinc/29/95/88/608299588.db2.gz VCMYLAXPFOHLHV-BEFAXECRSA-N 1 0 379.512 2.594 20 0 GFADRO Cc1scc(C(=O)N(CC[NH+](C)C)Cc2cccc(-c3nn[nH]n3)c2)c1C ZINC000826350025 608301981 /nfs/dbraw/zinc/30/19/81/608301981.db2.gz FHLKTACOXKNHGE-UHFFFAOYSA-N 1 0 384.509 2.749 20 0 GFADRO CN(C)c1ncc(C[NH2+]Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)cn1 ZINC000825883118 608310698 /nfs/dbraw/zinc/31/06/98/608310698.db2.gz BZMMUQKUTGLJAT-UHFFFAOYSA-N 1 0 386.463 2.680 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)Cc2c(-c3nn[nH]n3)c(C)nn2-c2ccccc2)C[C@@H]1C ZINC000825453758 608313952 /nfs/dbraw/zinc/31/39/52/608313952.db2.gz XAGGURYLUGPMPF-MAUKXSAKSA-N 1 0 394.527 2.665 20 0 GFADRO COc1cc(-c2nn[nH]n2)ccc1CN1CC[N@H+](Cc2ccccc2)CC[C@H]1C ZINC000826169471 608367394 /nfs/dbraw/zinc/36/73/94/608367394.db2.gz TYHVRNMBVPCDCF-QGZVFWFLSA-N 1 0 392.507 2.972 20 0 GFADRO C[C@H]([NH2+]CC(=O)NCc1cccc(-c2nn[nH]n2)c1)c1ccc2ccccc2c1 ZINC000824563101 608422874 /nfs/dbraw/zinc/42/28/74/608422874.db2.gz LFDQPROFWPSCDP-HNNXBMFYSA-N 1 0 386.459 2.987 20 0 GFADRO COc1cc(-c2nn[nH]n2)ccc1OCC[NH2+][C@@H](C)c1cccc(NC(C)=O)c1 ZINC000826176354 608433757 /nfs/dbraw/zinc/43/37/57/608433757.db2.gz LOEYQMIZDPLSCW-ZDUSSCGKSA-N 1 0 396.451 2.563 20 0 GFADRO O=C(OCc1cccc(-c2nn[nH]n2)c1F)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000826466057 608448559 /nfs/dbraw/zinc/44/85/59/608448559.db2.gz NXPVBEATWICXMN-MRXNPFEDSA-N 1 0 395.438 2.961 20 0 GFADRO C[C@H]([NH2+]CC(=O)NC1(c2ccccc2)CCC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824555198 608459313 /nfs/dbraw/zinc/45/93/13/608459313.db2.gz VLLIZAKYNPWBAW-HNNXBMFYSA-N 1 0 376.464 2.713 20 0 GFADRO C[C@@H]([NH2+]CC(=O)NC1(c2ccccc2)CCC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824555200 608459450 /nfs/dbraw/zinc/45/94/50/608459450.db2.gz VLLIZAKYNPWBAW-OAHLLOKOSA-N 1 0 376.464 2.713 20 0 GFADRO C[C@H]([NH2+]CC(=O)N(C)[C@@H](C)c1ccc(F)cc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824554368 608460256 /nfs/dbraw/zinc/46/02/56/608460256.db2.gz OZPREOOKLRLFAJ-KBPBESRZSA-N 1 0 382.443 2.876 20 0 GFADRO Cc1ccccc1C[C@H](C)NC(=O)C[NH2+][C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000826307145 608460283 /nfs/dbraw/zinc/46/02/83/608460283.db2.gz XOKZULOLXQUNPZ-HOTGVXAUSA-N 1 0 378.480 2.573 20 0 GFADRO CC[C@H]([NH2+][C@H](C)c1ccc(-c2nn[nH]n2)cc1)C(=O)Nc1ccc(OC)cc1 ZINC000825139985 608464329 /nfs/dbraw/zinc/46/43/29/608464329.db2.gz IETQRGTWPURVRG-ACJLOTCBSA-N 1 0 380.452 2.943 20 0 GFADRO C[C@H]([NH2+]CCOc1cccc(-c2nn[nH]n2)c1)c1cccc(N2CCOC2=O)c1 ZINC000824598803 608474157 /nfs/dbraw/zinc/47/41/57/608474157.db2.gz JHSBBSDFCHFGRN-AWEZNQCLSA-N 1 0 394.435 2.553 20 0 GFADRO C[C@H]([NH2+][C@@H](C)c1cccc(O)c1)C(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2 ZINC000824529115 608475928 /nfs/dbraw/zinc/47/59/28/608475928.db2.gz DVPKHHZLPYUCON-QWRGUYRKSA-N 1 0 398.492 2.800 20 0 GFADRO C[N@H+](CCOc1ccc(Cl)cc1)Cc1cnc2ccc(-c3nn[nH]n3)cn12 ZINC000825946470 608500272 /nfs/dbraw/zinc/50/02/72/608500272.db2.gz ZIWKNMBDGFITML-UHFFFAOYSA-N 1 0 383.843 2.679 20 0 GFADRO c1[nH]nc(-c2ccccc2)c1C[NH+]1CCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000826518940 608516051 /nfs/dbraw/zinc/51/60/51/608516051.db2.gz DJEWLFATBFOSMX-UHFFFAOYSA-N 1 0 386.463 2.579 20 0 GFADRO C[C@H]([NH2+]CCOc1cccc(-c2nn[nH]n2)c1)c1ccccc1-n1cccn1 ZINC000824598571 608517260 /nfs/dbraw/zinc/51/72/60/608517260.db2.gz GRYFTIGNQSQVBR-HNNXBMFYSA-N 1 0 375.436 2.782 20 0 GFADRO Cn1cc(C[NH2+][C@@H]2CCCc3cc(-c4nn[nH]n4)ccc32)c(C(F)(F)F)n1 ZINC000826361202 608524911 /nfs/dbraw/zinc/52/49/11/608524911.db2.gz OVPUOLLFBUHPDA-CQSZACIVSA-N 1 0 377.374 2.786 20 0 GFADRO O=C(C[NH2+][C@H](CC1CC1)c1ccccc1)NCc1cccc(-c2nn[nH]n2)c1 ZINC000826412188 608528088 /nfs/dbraw/zinc/52/80/88/608528088.db2.gz FTPPJWKORCPHRU-LJQANCHMSA-N 1 0 376.464 2.614 20 0 GFADRO C[C@@H]([NH2+]C[C@@H](O)COc1ccc(-c2nn[nH]n2)cc1)c1ccc(F)cc1Cl ZINC000824572408 608534712 /nfs/dbraw/zinc/53/47/12/608534712.db2.gz URHJEKPELNAPIG-BXUZGUMPSA-N 1 0 391.834 2.750 20 0 GFADRO O[C@H](C[NH2+][C@@H](c1ccccc1)C1CCOCC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000826502891 608535810 /nfs/dbraw/zinc/53/58/10/608535810.db2.gz MDWRTRLUZFPGSK-UXHICEINSA-N 1 0 379.464 2.658 20 0 GFADRO CCc1ccc(C(C)(C)[NH2+]CC(=O)NCc2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000825704928 608538315 /nfs/dbraw/zinc/53/83/15/608538315.db2.gz QLLTTXBKGFZPRB-UHFFFAOYSA-N 1 0 378.480 2.570 20 0 GFADRO CCc1ncc(C[NH2+]C2CCC(Oc3ccc(-c4nn[nH]n4)cn3)CC2)s1 ZINC000825750238 608569904 /nfs/dbraw/zinc/56/99/04/608569904.db2.gz NKJQHEGNEZPWOQ-UHFFFAOYSA-N 1 0 385.497 2.760 20 0 GFADRO CCOC(=O)C(F)(F)[C@@H]1CCC[C@@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC000825494653 608579775 /nfs/dbraw/zinc/57/97/75/608579775.db2.gz ZLTQCBYPTRBPRF-ZIAGYGMSSA-N 1 0 397.401 2.853 20 0 GFADRO COc1ccc(C[N@@H+]2CCCN(c3ccccc3-c3nn[nH]n3)CC2)c(OC)c1 ZINC000826194403 608584728 /nfs/dbraw/zinc/58/47/28/608584728.db2.gz LBKFEKABXSXOGA-UHFFFAOYSA-N 1 0 394.479 2.596 20 0 GFADRO CCn1nc(C)c(C[NH+]2CCC(Oc3cccc(-c4nn[nH]n4)c3)CC2)c1C ZINC000825806802 608603236 /nfs/dbraw/zinc/60/32/36/608603236.db2.gz FOFWGTGZZIFLJM-UHFFFAOYSA-N 1 0 381.484 2.743 20 0 GFADRO Fc1cccc(C[C@@H]2CCC[N@@H+]2Cc2cnc3ccc(-c4nn[nH]n4)cn23)c1 ZINC000826376639 608609896 /nfs/dbraw/zinc/60/98/96/608609896.db2.gz MCGWJRREIZBBQC-KRWDZBQOSA-N 1 0 377.427 2.861 20 0 GFADRO CC(C)(C)OC(=O)NC[C@H]1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC000824109105 608634080 /nfs/dbraw/zinc/63/40/80/608634080.db2.gz NEOCBPPVTROPOU-GFCCVEGCSA-N 1 0 378.502 2.665 20 0 GFADRO Oc1cccc(C[N@@H+](Cc2cnc3ccc(-c4nn[nH]n4)cn23)CC2CC2)c1 ZINC000826511240 608655424 /nfs/dbraw/zinc/65/54/24/608655424.db2.gz IATKDEZDDONBLG-UHFFFAOYSA-N 1 0 375.436 2.632 20 0 GFADRO Cc1ccc(C(=O)NC2CC[NH+](Cc3cc(-c4nn[nH]n4)cs3)CC2)s1 ZINC000826281591 608655521 /nfs/dbraw/zinc/65/55/21/608655521.db2.gz ARINKHGEYRHWKV-UHFFFAOYSA-N 1 0 388.522 2.693 20 0 GFADRO CN(C)c1cccc([C@@H]2CCC[N@@H+]2Cc2cnc3ccc(-c4nn[nH]n4)cn23)c1 ZINC000825880231 608712673 /nfs/dbraw/zinc/71/26/73/608712673.db2.gz ZQNAWLGUWUBPIO-IBGZPJMESA-N 1 0 388.479 2.918 20 0 GFADRO CC(C)C[C@H]([NH2+]Cc1ccc(-c2nn[nH]n2)s1)C(=O)Nc1nccs1 ZINC000824236415 608758252 /nfs/dbraw/zinc/75/82/52/608758252.db2.gz NLDUBGPWFSWLFE-NSHDSACASA-N 1 0 377.499 2.528 20 0 GFADRO O[C@@]1(Cc2cccc(Cl)c2)CC[N@H+](Cc2cc(-c3nn[nH]n3)cs2)C1 ZINC000826505780 608858846 /nfs/dbraw/zinc/85/88/46/608858846.db2.gz FIXUODOAQNFLEK-QGZVFWFLSA-N 1 0 375.885 2.761 20 0 GFADRO CCC1(CC)[C@H]([NH2+][C@H](C)C(=O)Nc2ccccc2-c2nn[nH]n2)[C@H](C)[C@@H]1OC ZINC000825165086 608885774 /nfs/dbraw/zinc/88/57/74/608885774.db2.gz RTORLDVJOQLPJF-IXKJSCDLSA-N 1 0 386.500 2.623 20 0 GFADRO C[C@@H]([NH2+][C@@H]1CCCN(c2ccccc2)C1=O)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824547402 609142014 /nfs/dbraw/zinc/14/20/14/609142014.db2.gz NXMMDJYDVQFVRA-FZKQIMNGSA-N 1 0 380.427 2.852 20 0 GFADRO CC(C)[C@H]1C[C@@H]([NH2+]C2CCC(Oc3ccc(-c4nn[nH]n4)cn3)CC2)CCO1 ZINC000824216400 609155376 /nfs/dbraw/zinc/15/53/76/609155376.db2.gz QYBTYPKVPBJYNX-JYSRZZCRSA-N 1 0 386.500 2.745 20 0 GFADRO FC(F)(F)CCN1CCC([NH2+]C2(c3cccc(-c4nn[nH]n4)c3)CC2)CC1 ZINC000826367877 609168493 /nfs/dbraw/zinc/16/84/93/609168493.db2.gz RKCAUJRRMDIRLH-UHFFFAOYSA-N 1 0 380.418 2.862 20 0 GFADRO C[C@@H]([NH2+]C1(c2cccc(-c3nn[nH]n3)c2)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000824539327 609250012 /nfs/dbraw/zinc/25/00/12/609250012.db2.gz MVZWZRZRVBIENI-CYBMUJFWSA-N 1 0 383.477 2.610 20 0 GFADRO C[C@H]1CCC[C@@](CNC(=O)c2ccc(Cl)c(-c3nn[nH]n3)c2)([NH+](C)C)C1 ZINC000824925995 609297649 /nfs/dbraw/zinc/29/76/49/609297649.db2.gz IDMCTOASODJINJ-KPZWWZAWSA-N 1 0 376.892 2.760 20 0 GFADRO COc1cccc([C@@H]2[C@H](Nc3cccc(-c4nn[nH]n4)n3)CC[N@@H+]2C2CC2)c1 ZINC000826215358 609322911 /nfs/dbraw/zinc/32/29/11/609322911.db2.gz MXYYZBRHSFTVMT-VQIMIIECSA-N 1 0 377.452 2.660 20 0 GFADRO COc1cccc([C@H]2[C@@H](Nc3ccc(-c4nn[nH]n4)cn3)CC[N@@H+]2C2CC2)c1 ZINC000826215741 609322999 /nfs/dbraw/zinc/32/29/99/609322999.db2.gz XUDUMMKWNATZAH-HKUYNNGSSA-N 1 0 377.452 2.660 20 0 GFADRO C[C@H]([NH2+]Cc1ccc(N2CCCC2=O)cc1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824618637 609325307 /nfs/dbraw/zinc/32/53/07/609325307.db2.gz QJLMWHPEQVNWLK-ZDUSSCGKSA-N 1 0 380.427 2.983 20 0 GFADRO Cn1cc(CNC2CC[NH+](C(C)(C)C)CC2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826361041 609337724 /nfs/dbraw/zinc/33/77/24/609337724.db2.gz JFFJSQWBMXCNPR-UHFFFAOYSA-N 1 0 394.527 2.620 20 0 GFADRO Cn1cc(C[NH2+][C@@H]2C[C@H]2Cc2ccccc2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826361303 609339866 /nfs/dbraw/zinc/33/98/66/609339866.db2.gz SCBSINYYBLQXHF-UYAOXDASSA-N 1 0 385.475 2.988 20 0 GFADRO O=C1[C@@H]([NH2+]Cc2ccc(Cl)s2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826477011 609413571 /nfs/dbraw/zinc/41/35/71/609413571.db2.gz UFGMCTCDEKLGRK-AWEZNQCLSA-N 1 0 388.884 2.867 20 0 GFADRO OC[C@@H]([NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)c1cccc(Br)c1 ZINC000826508146 609427544 /nfs/dbraw/zinc/42/75/44/609427544.db2.gz GEVRWYUQAGRNKL-OAHLLOKOSA-N 1 0 392.232 2.592 20 0 GFADRO Brc1cccc(NCC[NH2+]Cc2cc(-c3nn[nH]n3)cs2)c1 ZINC000823831783 609444832 /nfs/dbraw/zinc/44/48/32/609444832.db2.gz CPLRLGMGTZANCV-UHFFFAOYSA-N 1 0 379.287 2.892 20 0 GFADRO C[C@@H]([NH2+][C@H]1CCCN(C)C1=O)c1ccc(-c2cccc(-c3nn[nH]n3)c2)cc1 ZINC000824548060 609450037 /nfs/dbraw/zinc/45/00/37/609450037.db2.gz UWUARDBUWADHOM-KUHUBIRLSA-N 1 0 376.464 2.805 20 0 GFADRO CC(C)(C)OC(=O)CCC[NH+]1CCC(Oc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000824099881 609526008 /nfs/dbraw/zinc/52/60/08/609526008.db2.gz LARGRMLZAGXKBH-UHFFFAOYSA-N 1 0 387.484 2.832 20 0 GFADRO c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H](Nc4ccc(-c5nn[nH]n5)cn4)[C@H]3C2)cc1 ZINC000826521607 609595482 /nfs/dbraw/zinc/59/54/82/609595482.db2.gz SBANAEKWTRJPKA-FHWLQOOXSA-N 1 0 375.480 2.974 20 0 GFADRO Cn1cc(C[NH+]2CCC([C@H]3CCOC3)CC2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826360269 609608639 /nfs/dbraw/zinc/60/86/39/609608639.db2.gz DJTPJHQAHIJQQA-SFHVURJKSA-N 1 0 393.495 2.516 20 0 GFADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)Nc2nnc(SCC)s2)[C@@H](C)C1 ZINC000522465112 650625171 /nfs/dbraw/zinc/62/51/71/650625171.db2.gz HGVLSVBQBAOKQB-STQMWFEESA-N 1 0 387.575 2.909 20 0 GFADRO C[NH+](C)CCn1ccc(NC(=O)c2cc3cc(Br)ccc3[nH]2)n1 ZINC000523444475 650635003 /nfs/dbraw/zinc/63/50/03/650635003.db2.gz DONXDPSKWKNILB-UHFFFAOYSA-N 1 0 376.258 2.941 20 0 GFADRO COC(=O)/C=C1\SCC(=O)N1CCC[N@@H+]1CCC[C@@H](CC(F)(F)F)C1 ZINC000817281635 660188913 /nfs/dbraw/zinc/18/89/13/660188913.db2.gz NNEFWGDKXOCSPT-QENILXLESA-N 1 0 380.432 2.631 20 0 GFADRO C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CCNc1cnccn1 ZINC000532247083 650747007 /nfs/dbraw/zinc/74/70/07/650747007.db2.gz QLCWCWJXQSEOCT-LBPRGKRZSA-N 1 0 378.274 2.658 20 0 GFADRO COc1cc(Br)cc(NC(=O)Nc2ccn(CC[NH+](C)C)n2)c1 ZINC000499873764 650893706 /nfs/dbraw/zinc/89/37/06/650893706.db2.gz UKIZJMZBECKPEC-UHFFFAOYSA-N 1 0 382.262 2.860 20 0 GFADRO COc1cc(Br)ccc1CCC(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000543864624 650926863 /nfs/dbraw/zinc/92/68/63/650926863.db2.gz YZVCDCISCKJJBR-UHFFFAOYSA-N 1 0 395.301 2.787 20 0 GFADRO CN(C)C(=O)[C@@H]1CC[C@@H](C[NH2+][C@H](c2nc(Br)cs2)C2CC2)O1 ZINC000817580493 660201538 /nfs/dbraw/zinc/20/15/38/660201538.db2.gz LFDPKOBVQSZRKZ-GVXVVHGQSA-N 1 0 388.331 2.582 20 0 GFADRO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)N1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000818008555 660213400 /nfs/dbraw/zinc/21/34/00/660213400.db2.gz ICFAJMIUEJFWHF-CMPLNLGQSA-N 1 0 393.281 2.921 20 0 GFADRO [NH3+][C@H]1CCc2ncc(NC(=O)c3sc(N4CCCC4)nc3Cl)cc2C1 ZINC000818565429 660228805 /nfs/dbraw/zinc/22/88/05/660228805.db2.gz XUNDZIRXYIXOPL-NSHDSACASA-N 1 0 377.901 2.860 20 0 GFADRO O=C(c1ccc(Cl)s1)N1CCC(C(=O)N2CC[C@@]3(CCC[NH2+]3)C2)CC1 ZINC000818611048 660230050 /nfs/dbraw/zinc/23/00/50/660230050.db2.gz BSIYSLSNNOIBGA-SFHVURJKSA-N 1 0 381.929 2.608 20 0 GFADRO CCN(CC)S(=O)(=O)c1ccc(C[NH2+]C[C@H](O)c2ccc(F)cc2)s1 ZINC000818945841 660236352 /nfs/dbraw/zinc/23/63/52/660236352.db2.gz RFPOJYAXXMEKOW-INIZCTEOSA-N 1 0 386.514 2.741 20 0 GFADRO O=C(CC[NH2+]CCSC(F)(F)F)Nc1ccc(N2CCCC2=O)cc1 ZINC000818962633 660238217 /nfs/dbraw/zinc/23/82/17/660238217.db2.gz VASMQUJAAOONCG-UHFFFAOYSA-N 1 0 375.416 2.985 20 0 GFADRO COCCOc1ncccc1C[NH2+]C[C@@H](O)c1ccc(Br)cc1 ZINC000818975367 660240434 /nfs/dbraw/zinc/24/04/34/660240434.db2.gz LVPILKANNZBEFO-MRXNPFEDSA-N 1 0 381.270 2.693 20 0 GFADRO O[C@H](C[NH2+][C@H]1CCN(CC(F)(F)F)C1)c1ccc(F)c(Br)c1 ZINC000818987081 660241654 /nfs/dbraw/zinc/24/16/54/660241654.db2.gz SFWMCQVHQGZXHG-GXFFZTMASA-N 1 0 385.199 2.848 20 0 GFADRO C[C@@](O)(C[NH2+]CCCN1CCOC1=O)c1ccc(Br)cc1Cl ZINC000819013255 660243300 /nfs/dbraw/zinc/24/33/00/660243300.db2.gz WNDLHIWCNCWBIN-OAHLLOKOSA-N 1 0 391.693 2.742 20 0 GFADRO COC1CCN(C(C)(C)C[NH2+]C[C@H](O)c2cccc(Br)c2)CC1 ZINC000819038203 660244101 /nfs/dbraw/zinc/24/41/01/660244101.db2.gz CODRLHFSOXAWRQ-KRWDZBQOSA-N 1 0 385.346 2.962 20 0 GFADRO CN1C[C@H]([NH2+]C[C@](C)(O)c2ccc(Br)cc2Cl)CCC1=O ZINC000819089307 660246219 /nfs/dbraw/zinc/24/62/19/660246219.db2.gz MLFDSNPSOBZJSM-ABAIWWIYSA-N 1 0 375.694 2.520 20 0 GFADRO Cn1ccc(N2CCC[C@@H]([NH2+]C[C@H](O)c3ccc(Cl)cc3Cl)C2=O)n1 ZINC000819112047 660246952 /nfs/dbraw/zinc/24/69/52/660246952.db2.gz AAUPDTMVIZWGBQ-CABCVRRESA-N 1 0 383.279 2.546 20 0 GFADRO CC(C)(C)OC(=O)N1CCC[C@](O)(C[NH2+]C[C@H]2CSCCS2)CC1 ZINC000819142627 660247789 /nfs/dbraw/zinc/24/77/89/660247789.db2.gz SBNGPHFHKGRDEQ-WMLDXEAASA-N 1 0 376.588 2.577 20 0 GFADRO O=C(C1CCCC1)N1CC[C@H]([NH2+]C[C@H](O)c2ccc(Br)cc2)C1 ZINC000819163248 660248314 /nfs/dbraw/zinc/24/83/14/660248314.db2.gz IBDFNRUJIQOXEH-IRXDYDNUSA-N 1 0 381.314 2.863 20 0 GFADRO CN(C[C@H](O)C[NH2+]CCOc1ncc(Cl)cc1Cl)C(=O)OC(C)(C)C ZINC000819161915 660248355 /nfs/dbraw/zinc/24/83/55/660248355.db2.gz MCFFLYUZHQZBQQ-GFCCVEGCSA-N 1 0 394.299 2.585 20 0 GFADRO C[C@H]([NH2+]C[C@](C)(O)c1ccc(Br)cc1Cl)[C@@H]1CN(C)CCO1 ZINC000819177394 660248764 /nfs/dbraw/zinc/24/87/64/660248764.db2.gz HCECJJMZJOPNPL-UVBJJODRSA-N 1 0 391.737 2.619 20 0 GFADRO O=S(=O)(NCC[NH2+]C[C@H](O)c1cccc(Cl)c1)c1ccc(Cl)s1 ZINC000819186863 660249347 /nfs/dbraw/zinc/24/93/47/660249347.db2.gz XJQLNOMIGGEQCE-LBPRGKRZSA-N 1 0 395.333 2.656 20 0 GFADRO CC(C)C(=O)NCCC[NH2+]C[C@](C)(O)c1ccc(Br)cc1F ZINC000819189427 660249594 /nfs/dbraw/zinc/24/95/94/660249594.db2.gz RVLLCBCKIOSSME-INIZCTEOSA-N 1 0 375.282 2.548 20 0 GFADRO COCCc1ccc(OC[C@H](O)C[NH2+][C@@H]2CC[C@@H]3SCCS[C@@H]23)cc1 ZINC000819198850 660249813 /nfs/dbraw/zinc/24/98/13/660249813.db2.gz UPSCNRKZVYLNMF-YSHGAJCASA-N 1 0 383.579 2.584 20 0 GFADRO O[C@H](C[NH2+]CCc1cn2c(n1)SCC2)c1ccc(F)c(Br)c1 ZINC000819233858 660251224 /nfs/dbraw/zinc/25/12/24/660251224.db2.gz UWAWOFGRRRRCPD-CQSZACIVSA-N 1 0 386.290 2.756 20 0 GFADRO COCCn1cc2c(n1)[C@H]([NH2+]C[C@@H](O)c1cccc(Br)c1)CCC2 ZINC000819220809 660250600 /nfs/dbraw/zinc/25/06/00/660250600.db2.gz TXKFFTGYJVZYGM-IAGOWNOFSA-N 1 0 394.313 2.993 20 0 GFADRO CC(C)(C)OC(=O)CS(=O)(=O)CC[NH2+][C@@H]1C[C@H]1c1ccc(Cl)c(F)c1 ZINC000819281989 660253551 /nfs/dbraw/zinc/25/35/51/660253551.db2.gz PYPBJDYPDNLQSM-SWLSCSKDSA-N 1 0 391.892 2.681 20 0 GFADRO O=S(=O)(CC[NH2+]C[C@H](O)c1ccc(F)cc1Cl)CCc1ccccc1 ZINC000819291067 660253830 /nfs/dbraw/zinc/25/38/30/660253830.db2.gz KHKSNTHAOOOAOS-SFHVURJKSA-N 1 0 385.888 2.760 20 0 GFADRO CC(C)[C@@H]([NH2+]C[C@](C)(O)c1ccc(Br)cc1F)c1nncn1C ZINC000819304527 660254324 /nfs/dbraw/zinc/25/43/24/660254324.db2.gz WYXBSSXWFUGFEF-ZBFHGGJFSA-N 1 0 385.281 2.911 20 0 GFADRO C[C@](O)(C[NH2+]Cc1ccc(CC(N)=O)cc1)c1ccc(Br)cc1F ZINC000819320014 660254707 /nfs/dbraw/zinc/25/47/07/660254707.db2.gz YCTVCZKVUKJDIR-SFHVURJKSA-N 1 0 395.272 2.613 20 0 GFADRO CCC[C@H](C)C(=O)NCC[NH2+]C[C@H](O)c1ccc(F)c(Br)c1 ZINC000819329187 660255117 /nfs/dbraw/zinc/25/51/17/660255117.db2.gz HILLERGVZQGODH-NHYWBVRUSA-N 1 0 375.282 2.764 20 0 GFADRO CCOC(=O)N1CC[C@@H]([NH2+]C[C@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000819238459 660251477 /nfs/dbraw/zinc/25/14/77/660251477.db2.gz GLVVFYOZYWBVJB-NEPJUHHUSA-N 1 0 377.268 2.554 20 0 GFADRO CS(=O)(=O)c1ccc(C[NH2+]C[C@H](O)c2ccc(C(F)(F)F)cc2)s1 ZINC000819256683 660252127 /nfs/dbraw/zinc/25/21/27/660252127.db2.gz OFRFOMGTUHTRNP-ZDUSSCGKSA-N 1 0 379.425 2.994 20 0 GFADRO O=S(=O)(c1cccnc1Cl)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000819903031 660273524 /nfs/dbraw/zinc/27/35/24/660273524.db2.gz VDTLCXAZDYULBM-JKSUJKDBSA-N 1 0 377.897 2.630 20 0 GFADRO C[N@@H+]1CCN(C(=O)c2cc(Br)cn3ncnc23)CC12CCCCC2 ZINC000821232963 660319037 /nfs/dbraw/zinc/31/90/37/660319037.db2.gz VUZXLTAUYMCVMU-UHFFFAOYSA-N 1 0 392.301 2.582 20 0 GFADRO CCn1ncc(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)c1Br ZINC000821366321 660323182 /nfs/dbraw/zinc/32/31/82/660323182.db2.gz ULSMOJBRTYLAOE-HUUCEWRRSA-N 1 0 377.286 2.841 20 0 GFADRO C[C@@H](C[NH+]1CCCCC1)NC(=O)[C@@]1(C)CC1(Br)Br ZINC000821829987 660334870 /nfs/dbraw/zinc/33/48/70/660334870.db2.gz ASRBEQSRFTXGIT-CMPLNLGQSA-N 1 0 382.140 2.873 20 0 GFADRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C[C@@H]2C(=O)Nc3c2cccc3Br)C1 ZINC000822159758 660341136 /nfs/dbraw/zinc/34/11/36/660341136.db2.gz PJWBWLGMHAVIRJ-OCCSQVGLSA-N 1 0 394.313 2.816 20 0 GFADRO COCCNC(=O)[C@H]1CC[C@H](C)[N@H+](C[C@H](O)c2ccc(Cl)cc2Cl)C1 ZINC000822587437 660348978 /nfs/dbraw/zinc/34/89/78/660348978.db2.gz CSOQNYVWBXWIKJ-DCGLDWPTSA-N 1 0 389.323 2.890 20 0 GFADRO CS(=O)(=O)C1(c2nc(Cc3c(Cl)cccc3Cl)no2)CC[NH2+]CC1 ZINC000822647504 660350824 /nfs/dbraw/zinc/35/08/24/660350824.db2.gz QGNFCSQQJFOZIF-UHFFFAOYSA-N 1 0 390.292 2.591 20 0 GFADRO Cn1cc(C=O)cc1C(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000822840699 660355641 /nfs/dbraw/zinc/35/56/41/660355641.db2.gz OBKBLSMQMNTKPQ-UHFFFAOYSA-N 1 0 392.297 2.804 20 0 GFADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1cc(Cl)c(F)cc1Br ZINC000822878487 660356486 /nfs/dbraw/zinc/35/64/86/660356486.db2.gz ILKFQCHAOCWQGW-UWVGGRQHSA-N 1 0 391.668 2.835 20 0 GFADRO CCC[N@@H+]1CC[C@H](NC(=O)N(C)C[C@H](O)c2ccccc2Br)C1 ZINC000823044814 660360367 /nfs/dbraw/zinc/36/03/67/660360367.db2.gz LBMWCNWFHBGROR-BBRMVZONSA-N 1 0 384.318 2.608 20 0 GFADRO CCCOc1ccc(Br)cc1-c1noc(C[C@@H]2COCC[NH2+]2)n1 ZINC000822942108 660358589 /nfs/dbraw/zinc/35/85/89/660358589.db2.gz RDKHJMWTZUXLNI-GFCCVEGCSA-N 1 0 382.258 2.819 20 0 GFADRO Brc1cc(Cc2noc([C@H]3C[C@]34CC[NH2+]C4)n2)cc2c1OCCO2 ZINC000822946992 660358731 /nfs/dbraw/zinc/35/87/31/660358731.db2.gz MJYCMXOXHRUIGN-DIFFPNOSSA-N 1 0 392.253 2.661 20 0 GFADRO Cc1cc(Br)ccc1-c1noc(-c2cn(CCCC[NH3+])nn2)n1 ZINC000823069998 660360905 /nfs/dbraw/zinc/36/09/05/660360905.db2.gz WSMHLLAPFKXKER-UHFFFAOYSA-N 1 0 377.246 2.805 20 0 GFADRO C[NH+](C)CCNC(=O)c1ccc(CNC(=O)C[C@@]2(C)CC2(Cl)Cl)cc1 ZINC000823152428 660363102 /nfs/dbraw/zinc/36/31/02/660363102.db2.gz RWTMAPYOLZKVOF-KRWDZBQOSA-N 1 0 386.323 2.568 20 0 GFADRO CC[N@H+](C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1)[C@H](C)CS(C)(=O)=O ZINC000823452528 660372459 /nfs/dbraw/zinc/37/24/59/660372459.db2.gz BITZAVCZSFXGOD-BZUAXINKSA-N 1 0 376.563 2.777 20 0 GFADRO C[C@@H]1C[C@@H](C[N@H+](C)CC(C)(C)S(C)(=O)=O)CCN1C(=O)OC(C)(C)C ZINC000823478021 660373343 /nfs/dbraw/zinc/37/33/43/660373343.db2.gz ZBDMVAJMMFQRPV-CABCVRRESA-N 1 0 376.563 2.777 20 0 GFADRO C[N@H+](CCCNC(=O)c1c(Br)nc2n1CCC2)Cc1ccccc1 ZINC000823747475 660379239 /nfs/dbraw/zinc/37/92/39/660379239.db2.gz BLOSCGNVVNRGCC-UHFFFAOYSA-N 1 0 391.313 2.844 20 0 GFADRO O=C(NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1cc(Br)n[nH]1 ZINC000824268311 660388645 /nfs/dbraw/zinc/38/86/45/660388645.db2.gz OSGPOXYKEJZEJG-AWEZNQCLSA-N 1 0 377.286 2.814 20 0 GFADRO COCC(C)(C)[NH+]1CCN(C(=O)Nc2cc(C)cnc2Br)CC1 ZINC000824354497 660390608 /nfs/dbraw/zinc/39/06/08/660390608.db2.gz LOWUONGSDDSGHG-UHFFFAOYSA-N 1 0 385.306 2.727 20 0 GFADRO C[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@@]2(C)[C@@H](C1)C2(Br)Br ZINC000824395705 660391194 /nfs/dbraw/zinc/39/11/94/660391194.db2.gz LSUHYCFRGWWUHT-LOWVWBTDSA-N 1 0 394.151 2.825 20 0 GFADRO CC(C)(C[NH+]1CCOCC1)C(=O)NC[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC000824694591 660399436 /nfs/dbraw/zinc/39/94/36/660399436.db2.gz WOXIRDFLVJJHOU-OAHLLOKOSA-N 1 0 375.296 2.501 20 0 GFADRO Cn1c(Cl)cnc1-c1csc(NC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)n1 ZINC000824515845 660395486 /nfs/dbraw/zinc/39/54/86/660395486.db2.gz OIFSGYJNGOFEEQ-PWSUYJOCSA-N 1 0 380.905 2.945 20 0 GFADRO OCCN1CCCC[C@H]1C[NH2+]Cc1nc2ccc(Br)cc2s1 ZINC000824583709 660397761 /nfs/dbraw/zinc/39/77/61/660397761.db2.gz OZUWMOGKKBVWCU-ZDUSSCGKSA-N 1 0 384.343 2.995 20 0 GFADRO C[NH+]1CCC(CCNC(=O)c2ccc(C(F)(F)Br)nc2)CC1 ZINC000825085046 660410179 /nfs/dbraw/zinc/41/01/79/660410179.db2.gz TVAUTOAGAIXRCL-UHFFFAOYSA-N 1 0 376.245 2.988 20 0 GFADRO O=C(c1c(Br)nc2n1CCC2)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000825665613 660436871 /nfs/dbraw/zinc/43/68/71/660436871.db2.gz UYLDCWMDKHQAPE-ZDUSSCGKSA-N 1 0 381.318 2.682 20 0 GFADRO COCCc1ccc(OC[C@H](C)[NH2+]CCn2cc(Br)cn2)cc1 ZINC000825892457 660445206 /nfs/dbraw/zinc/44/52/06/660445206.db2.gz FVFBYMKGMBWMHB-AWEZNQCLSA-N 1 0 382.302 2.892 20 0 GFADRO O=C(C/C=C\c1ccc(Br)cc1)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000826570184 660457524 /nfs/dbraw/zinc/45/75/24/660457524.db2.gz NNUODYOODLCCKI-QFRLHKFZSA-N 1 0 393.325 2.910 20 0 GFADRO C[C@@]1(C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)CC1(Br)Br ZINC000826769414 660464251 /nfs/dbraw/zinc/46/42/51/660464251.db2.gz LPUWXXODKHFHLJ-YPMHNXCESA-N 1 0 394.151 2.969 20 0 GFADRO O=C(c1cnn(Cc2ccccc2)c1Br)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000826949858 660472769 /nfs/dbraw/zinc/47/27/69/660472769.db2.gz MENCYRSNUZSWIC-OAHLLOKOSA-N 1 0 389.297 2.614 20 0 GFADRO C[C@@]1(C(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)CC1(Br)Br ZINC000852881440 661876372 /nfs/dbraw/zinc/87/63/72/661876372.db2.gz WIQICEJVFFXIOC-NHCYSSNCSA-N 1 0 382.140 2.764 20 0 GFADRO CC(C)(C)OC(=O)N1CC2(C1)C[C@H]([NH2+]Cc1ccc(Br)o1)CO2 ZINC000827060397 660477177 /nfs/dbraw/zinc/47/71/77/660477177.db2.gz GUZWWLIQCWPUSV-NSHDSACASA-N 1 0 387.274 2.910 20 0 GFADRO C[C@]12CCN(C(=O)C3([NH3+])CCCC3)C[C@H]1C2(Br)Br ZINC000852901881 661876936 /nfs/dbraw/zinc/87/69/36/661876936.db2.gz UMOGXLZWYMPSDC-KOLCDFICSA-N 1 0 380.124 2.612 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(I)c(F)c3)CC[C@H]21 ZINC000827322464 660489032 /nfs/dbraw/zinc/48/90/32/660489032.db2.gz ZUJBBEVUHHOZOX-BXUZGUMPSA-N 1 0 388.224 2.597 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(F)cc3I)CC[C@@H]21 ZINC000827337651 660489990 /nfs/dbraw/zinc/48/99/90/660489990.db2.gz MEUJVDMIMOSEPV-YGRLFVJLSA-N 1 0 388.224 2.597 20 0 GFADRO COc1cc(C(=O)N2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)cc(OC)c1Br ZINC000827353192 660491012 /nfs/dbraw/zinc/49/10/12/660491012.db2.gz APEAFAZBBLNMJL-AAEUAGOBSA-N 1 0 383.286 2.633 20 0 GFADRO Cn1nc2cc(Br)ccc2c1C(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000827233988 660485717 /nfs/dbraw/zinc/48/57/17/660485717.db2.gz VHBXJZCINUKXDU-IAQYHMDHSA-N 1 0 377.286 2.502 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccn(-c4ccc(Br)cc4)n3)CC[C@@H]21 ZINC000827256388 660486605 /nfs/dbraw/zinc/48/66/05/660486605.db2.gz WFAYVXMETBETHA-DYVFJYSZSA-N 1 0 389.297 2.801 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3cnnn3-c3c(Cl)cccc3Cl)CC[C@H]21 ZINC000827264936 660486892 /nfs/dbraw/zinc/48/68/92/660486892.db2.gz FAENJKYIYOSHDS-BXUZGUMPSA-N 1 0 380.279 2.740 20 0 GFADRO CN1CC[NH+](C2CCN(C(=O)c3cc4c(ccnc4Cl)s3)CC2)CC1 ZINC000827425165 660494539 /nfs/dbraw/zinc/49/45/39/660494539.db2.gz IGFGNRKKNSXFCD-UHFFFAOYSA-N 1 0 378.929 2.802 20 0 GFADRO NC(=O)CN1CCCN(c2ccc3c(Cl)ccc(Br)c3n2)CC1 ZINC000827430372 660494807 /nfs/dbraw/zinc/49/48/07/660494807.db2.gz JXEVDLPKVZNZNZ-UHFFFAOYSA-N 1 0 397.704 2.648 20 0 GFADRO Cc1cc(C(=O)N2CCC([NH+]3CCN(C)CC3)CC2)c(Br)s1 ZINC000827449562 660496366 /nfs/dbraw/zinc/49/63/66/660496366.db2.gz FKQJQKIAKZZGDH-UHFFFAOYSA-N 1 0 386.359 2.671 20 0 GFADRO CC(C)[C@H]1CN(C(=O)c2ccc(C(F)(F)Br)nc2)CC[N@@H+]1C ZINC000827491064 660499352 /nfs/dbraw/zinc/49/93/52/660499352.db2.gz KXXUAFJWKSNESW-GFCCVEGCSA-N 1 0 376.245 2.938 20 0 GFADRO C[NH+](C)C1(CNC(=O)C(F)(F)c2ccc(Br)cc2)CCOCC1 ZINC000827762184 660513477 /nfs/dbraw/zinc/51/34/77/660513477.db2.gz BPLBXCJLDDJDNO-UHFFFAOYSA-N 1 0 391.256 2.768 20 0 GFADRO [NH3+][C@@H](CC(=O)N1CCC(C(=O)Nc2ccc(Br)cc2)CC1)C1CC1 ZINC000828075936 660530608 /nfs/dbraw/zinc/53/06/08/660530608.db2.gz OBMALIGYUUVSNE-INIZCTEOSA-N 1 0 394.313 2.754 20 0 GFADRO C[N@@H+]1CCN(C(=O)C[C@H]2C(=O)Nc3ccc(Br)cc32)CCC1(C)C ZINC000828300597 660543025 /nfs/dbraw/zinc/54/30/25/660543025.db2.gz YXPRCGCPROKXSP-CQSZACIVSA-N 1 0 394.313 2.818 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc(Br)c4nccnc4c3)CC[C@H]21 ZINC000828510219 660552814 /nfs/dbraw/zinc/55/28/14/660552814.db2.gz HMOYXKSGGBYFLN-IAQYHMDHSA-N 1 0 375.270 2.559 20 0 GFADRO C[N@@H+]1CC[C@H]2CN(C(=O)c3cc(Br)c4nccnc4c3)CC[C@H]21 ZINC000828510222 660552838 /nfs/dbraw/zinc/55/28/38/660552838.db2.gz HMOYXKSGGBYFLN-XHDPSFHLSA-N 1 0 375.270 2.559 20 0 GFADRO C[C@@H]1C[C@@H](N(C)C(=O)[C@@]2(C)CC2(Br)Br)CC[N@@H+]1C ZINC000828594908 660558874 /nfs/dbraw/zinc/55/88/74/660558874.db2.gz DLONIMREEIDBSJ-JFGNBEQYSA-N 1 0 382.140 2.824 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)c1cc(Br)ncc1Br)C1CC1 ZINC000864940387 662391964 /nfs/dbraw/zinc/39/19/64/662391964.db2.gz RPSISGCNHKGVOW-NSHDSACASA-N 1 0 391.107 2.677 20 0 GFADRO Cc1cccc(C(=O)N(C)CC[NH+]2CC3(C2)CCOCC3)c1Br ZINC000829257786 660587039 /nfs/dbraw/zinc/58/70/39/660587039.db2.gz UYBKBKBPYZREEC-UHFFFAOYSA-N 1 0 381.314 2.942 20 0 GFADRO CN(CC[NH+]1CC2(C1)CCOCC2)C(=O)c1ccc(F)c(Br)c1 ZINC000829266136 660587081 /nfs/dbraw/zinc/58/70/81/660587081.db2.gz GILAGXDYNLFJCW-UHFFFAOYSA-N 1 0 385.277 2.773 20 0 GFADRO Cc1cc(C(=O)N2CCN(c3cc[nH+]cc3)C[C@H]2C)cnc1Br ZINC000829792189 660614517 /nfs/dbraw/zinc/61/45/17/660614517.db2.gz SFILVQHKWVBUIN-CYBMUJFWSA-N 1 0 375.270 2.898 20 0 GFADRO CN(C)c1cc[nH+]c(CNC(=O)[C@@](C)(O)c2ccc(F)c(Br)c2)c1 ZINC000829964980 660626956 /nfs/dbraw/zinc/62/69/56/660626956.db2.gz IHKMBKOZZGMYIT-KRWDZBQOSA-N 1 0 396.260 2.573 20 0 GFADRO C[NH+]1CCC(OCC(=O)N2CCC[C@H]2c2cncc(Br)c2)CC1 ZINC000830101502 660635378 /nfs/dbraw/zinc/63/53/78/660635378.db2.gz JYNVECFCIRQKNU-INIZCTEOSA-N 1 0 382.302 2.618 20 0 GFADRO C[NH+](C)[C@H]1CCN(c2ccc(NCc3ccncc3Br)nc2)C1 ZINC000631098405 652519827 /nfs/dbraw/zinc/51/98/27/652519827.db2.gz OVWFHBWAEFBXDA-HNNXBMFYSA-N 1 0 376.302 2.992 20 0 GFADRO Cc1nc(N)nc(NC2CCN(Cc3cccc(Br)c3)CC2)n1 ZINC000631303059 652521411 /nfs/dbraw/zinc/52/14/11/652521411.db2.gz JBIJXNKJQNWKOG-UHFFFAOYSA-N 1 0 377.290 2.601 20 0 GFADRO C[NH+]1CCC(n2ccc(NC(=O)c3c(F)cncc3Br)n2)CC1 ZINC000632786556 652579276 /nfs/dbraw/zinc/57/92/76/652579276.db2.gz KOERYSZGYKRIEM-UHFFFAOYSA-N 1 0 382.237 2.699 20 0 GFADRO CN(C)C(=O)O[C@H]1CC[N@H+](C[C@@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000830488540 660659059 /nfs/dbraw/zinc/65/90/59/660659059.db2.gz XIBIOJHOALRKHF-OLZOCXBDSA-N 1 0 377.268 2.506 20 0 GFADRO C[N@H+](CCOc1ccc(Cl)c(F)c1)C[C@@H](O)CNC(=O)OC(C)(C)C ZINC000830461832 660658242 /nfs/dbraw/zinc/65/82/42/660658242.db2.gz HXZIGIIYNNNHFI-LBPRGKRZSA-N 1 0 376.856 2.675 20 0 GFADRO COC(C[N@@H+]1CC[C@H](Cc2cccc(I)c2)C1)OC ZINC000830515489 660660991 /nfs/dbraw/zinc/66/09/91/660660991.db2.gz XUGBCHAGBKRKBT-CYBMUJFWSA-N 1 0 375.250 2.775 20 0 GFADRO CN(C)C(=O)O[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc(Br)cc2)C1 ZINC000830574089 660664694 /nfs/dbraw/zinc/66/46/94/660664694.db2.gz JCLADVRTTZRCHL-OAHLLOKOSA-N 1 0 398.301 2.940 20 0 GFADRO COc1cc(C[NH2+]C[C@H]2C[C@H](OC)C2)cc(I)c1OC ZINC000883263292 663052068 /nfs/dbraw/zinc/05/20/68/663052068.db2.gz OTSLAFGUJRMQPM-UMSPYCQHSA-N 1 0 391.249 2.823 20 0 GFADRO COCC[N@H+]1[C@H](C)CN(C(=O)Nc2cnc(Br)cc2C)C[C@@H]1C ZINC000831545966 660712384 /nfs/dbraw/zinc/71/23/84/660712384.db2.gz DWYVMPBQCZKDKG-BETUJISGSA-N 1 0 385.306 2.725 20 0 GFADRO O=C(N[C@@H]1CCO[C@H]1C1CC[NH+](CCc2cccs2)CC1)C(F)(F)F ZINC000831549835 660712695 /nfs/dbraw/zinc/71/26/95/660712695.db2.gz FBPLPUUXOLKXNQ-CABCVRRESA-N 1 0 376.444 2.839 20 0 GFADRO CCO[C@H](CNC(=O)c1c(Cl)cc(F)cc1Br)C[NH+](C)C ZINC000831713176 660721606 /nfs/dbraw/zinc/72/16/06/660721606.db2.gz JJSMJKARPOCOEE-SNVBAGLBSA-N 1 0 381.673 2.938 20 0 GFADRO C[C@H](NC(=O)c1cc(Br)n[nH]1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000831828871 660730225 /nfs/dbraw/zinc/73/02/25/660730225.db2.gz RZXAPHDKCHFGKI-JSGCOSHPSA-N 1 0 377.286 2.813 20 0 GFADRO O=C(N[C@@H](Cc1ccccn1)c1ccc(Br)cc1)[C@@]1(F)CC[NH2+]C1 ZINC000831880844 660733577 /nfs/dbraw/zinc/73/35/77/660733577.db2.gz KLIWIQKJNPPSHO-FUHWJXTLSA-N 1 0 392.272 2.946 20 0 GFADRO O=C(Nc1ccc(N2CC[NH2+]CC2)cn1)c1cc(Br)ncc1Cl ZINC000832565685 660786649 /nfs/dbraw/zinc/78/66/49/660786649.db2.gz RBPIFJCPPQSBLI-UHFFFAOYSA-N 1 0 396.676 2.554 20 0 GFADRO Cn1cc(S(=O)(=O)N2CC[NH+](C(C)(C)CC(C)(C)C)CC2)nc1Cl ZINC000832574781 660787241 /nfs/dbraw/zinc/78/72/41/660787241.db2.gz QCVSVVQVMBWEAC-UHFFFAOYSA-N 1 0 376.954 2.595 20 0 GFADRO C[N@H+](C[C@@H](O)COc1ccccc1)C[C@@H](O)c1ccccc1Br ZINC000832673155 660793837 /nfs/dbraw/zinc/79/38/37/660793837.db2.gz PAARRGJTXJCEIL-RDTXWAMCSA-N 1 0 380.282 2.854 20 0 GFADRO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)N1C[C@H]2CC[N@@H+](C)[C@H]2C1 ZINC000834310620 660813195 /nfs/dbraw/zinc/81/31/95/660813195.db2.gz QDIMYRXISBNUCL-RISCZKNCSA-N 1 0 391.265 2.640 20 0 GFADRO CCC[C@@H](C)NS(=O)(=O)c1cc(C(=O)N[C@@H](C)C[NH3+])c(Cl)cc1Cl ZINC000834628788 660827709 /nfs/dbraw/zinc/82/77/09/660827709.db2.gz DIJGAPSCWJSTJA-ZJUUUORDSA-N 1 0 396.340 2.537 20 0 GFADRO C[C@@H](CNC(=O)NC[C@@H](O)c1ccccc1Br)[N@@H+]1CCC[C@@H](C)C1 ZINC000836296456 660898743 /nfs/dbraw/zinc/89/87/43/660898743.db2.gz REHDMPQHFQEVFR-JKIFEVAISA-N 1 0 398.345 2.902 20 0 GFADRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)NC[C@H](O)c2ccccc2Br)C1 ZINC000836345981 660900879 /nfs/dbraw/zinc/90/08/79/660900879.db2.gz QJOVRQCLZLINRB-BBRMVZONSA-N 1 0 384.318 2.512 20 0 GFADRO C[NH+]1CCN(c2ccc(NC(=O)c3cc(F)ccc3Br)cn2)CC1 ZINC000012613960 654501126 /nfs/dbraw/zinc/50/11/26/654501126.db2.gz UZVHWZMIDJBFKH-UHFFFAOYSA-N 1 0 393.260 2.987 20 0 GFADRO O=S(=O)(c1cccc2nsnc21)N1CCC(C[NH+]2CCCCC2)CC1 ZINC000015861275 654513007 /nfs/dbraw/zinc/51/30/07/654513007.db2.gz ILADYUUTYRRCMD-UHFFFAOYSA-N 1 0 380.539 2.578 20 0 GFADRO CC[C@@H](C)[NH+]1CCN(C(=O)COc2ccc(C=O)cc2Br)CC1 ZINC000837006246 660964774 /nfs/dbraw/zinc/96/47/74/660964774.db2.gz COMCJVYRYTWXRZ-CYBMUJFWSA-N 1 0 383.286 2.583 20 0 GFADRO C[C@H](NC(=O)NCCCC[NH+]1CCN(C)CC1)c1ccc(Br)cc1 ZINC000031151984 654592104 /nfs/dbraw/zinc/59/21/04/654592104.db2.gz XCGDMIVQCMHKRS-HNNXBMFYSA-N 1 0 397.361 2.837 20 0 GFADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@@H](C)Oc2ccc(Br)cc2)C1 ZINC000032268148 654600623 /nfs/dbraw/zinc/60/06/23/654600623.db2.gz WJNPYARPNFCDAR-RHSMWYFYSA-N 1 0 399.329 2.689 20 0 GFADRO C[C@@H](C[NH+]1CCCCC1)NC(=O)CCN1C(=S)N=NC1c1cccs1 ZINC000032658900 654607117 /nfs/dbraw/zinc/60/71/17/654607117.db2.gz YKTNEXFSWFEGPO-ZDUSSCGKSA-N 1 0 379.555 2.676 20 0 GFADRO Cc1ccc(NC(=O)C(=O)NCC[N@H+]2CCCC[C@H]2C)c(Br)c1 ZINC000041664362 654629329 /nfs/dbraw/zinc/62/93/29/654629329.db2.gz VNGDHMKTLQIMBE-CYBMUJFWSA-N 1 0 382.302 2.687 20 0 GFADRO C[C@@H](C(=O)Nc1cc(Br)ccc1N1CC[NH+](C)CC1)n1cccn1 ZINC000044679869 654661956 /nfs/dbraw/zinc/66/19/56/654661956.db2.gz ODXZBNIEIXRAMF-ZDUSSCGKSA-N 1 0 392.301 2.597 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)NNC(=O)c1cc2c(s1)CCC2)c1ccsc1 ZINC000046347210 654679351 /nfs/dbraw/zinc/67/93/51/654679351.db2.gz NDVKPZPENLDKLN-CYBMUJFWSA-N 1 0 378.523 2.545 20 0 GFADRO C[C@@H](CNC(=O)NNC(=O)c1ccccc1Br)[N@@H+]1CCCC[C@H]1C ZINC000046339800 654679459 /nfs/dbraw/zinc/67/94/59/654679459.db2.gz AMACITWQTMFLGU-OLZOCXBDSA-N 1 0 397.317 2.656 20 0 GFADRO CCn1c(SCC(=O)NCC[NH+]2CCCCC2)nnc1-c1cccs1 ZINC000046854416 654686763 /nfs/dbraw/zinc/68/67/63/654686763.db2.gz DUVZCWUEYQQQOD-UHFFFAOYSA-N 1 0 379.555 2.721 20 0 GFADRO C[C@H](CNC(=O)c1c(Br)nc2n1CCCC2)[N@@H+]1CCC[C@H](C)C1 ZINC000837346598 660988033 /nfs/dbraw/zinc/98/80/33/660988033.db2.gz SDTHIVMYEYPYAI-QWHCGFSZSA-N 1 0 383.334 2.832 20 0 GFADRO Cc1c(C(=O)NC2CC[NH+](C)CC2)cnn1-c1ccc(Br)cc1 ZINC000047615620 654697858 /nfs/dbraw/zinc/69/78/58/654697858.db2.gz RIQUULBWYCHPNG-UHFFFAOYSA-N 1 0 377.286 2.767 20 0 GFADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CCc2ccccc2Br)C1 ZINC000048243598 654704252 /nfs/dbraw/zinc/70/42/52/654704252.db2.gz CXNGRAKNJIGKKM-MRXNPFEDSA-N 1 0 383.330 2.855 20 0 GFADRO CCS(=O)(=O)NCCC[NH2+]Cc1ccc(-c2nc3ccccc3s2)o1 ZINC000051189138 654722760 /nfs/dbraw/zinc/72/27/60/654722760.db2.gz LIZAKBWRWNCSGH-UHFFFAOYSA-N 1 0 379.507 2.975 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)NCc2cn3cc(Br)ccc3n2)C[N@@H+]1C1CC1 ZINC000122189518 654731043 /nfs/dbraw/zinc/73/10/43/654731043.db2.gz LMLOPIJATDXJPX-YPMHNXCESA-N 1 0 392.301 2.521 20 0 GFADRO C[C@@H](Oc1ccc(Cl)c(Cl)c1)C(=O)NCCCC[NH+]1CCOCC1 ZINC000053450690 654746970 /nfs/dbraw/zinc/74/69/70/654746970.db2.gz MJJYIXJZCOPLRX-CYBMUJFWSA-N 1 0 375.296 2.989 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000123247201 654754303 /nfs/dbraw/zinc/75/43/03/654754303.db2.gz RANZKBDXUNGELA-CQSZACIVSA-N 1 0 394.313 2.640 20 0 GFADRO O=C(C[N@H+](C[C@@H]1CCCO1)[C@@H]1CCSC1)N1CCC[C@@H](C(F)(F)F)C1 ZINC000123737657 654762140 /nfs/dbraw/zinc/76/21/40/654762140.db2.gz WZANINHMSQIUTL-KFWWJZLASA-N 1 0 380.476 2.774 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)C(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000123968143 654767385 /nfs/dbraw/zinc/76/73/85/654767385.db2.gz KOXTYEWEJLLHIU-ZDUSSCGKSA-N 1 0 382.302 2.687 20 0 GFADRO Cc1ccccc1C[NH+]1CCN(Cn2cc(Br)c([N+](=O)[O-])n2)CC1 ZINC000055016628 654767427 /nfs/dbraw/zinc/76/74/27/654767427.db2.gz SOKWUSQJBHCOHN-UHFFFAOYSA-N 1 0 394.273 2.638 20 0 GFADRO CC[NH+](CC)[C@H](CNS(=O)(=O)c1c(C)nn(C)c1Cl)c1ccccc1 ZINC000055218229 654771945 /nfs/dbraw/zinc/77/19/45/654771945.db2.gz VILHGSJSGRJUAM-OAHLLOKOSA-N 1 0 384.933 2.743 20 0 GFADRO CC[NH2+]CC1CCN(S(=O)(=O)c2ccc(Br)c(F)c2)CC1 ZINC000124821992 654781691 /nfs/dbraw/zinc/78/16/91/654781691.db2.gz DBMBIGASKJOCJU-UHFFFAOYSA-N 1 0 379.295 2.598 20 0 GFADRO CSCc1noc(CCC(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)n1 ZINC000125018359 654786477 /nfs/dbraw/zinc/78/64/77/654786477.db2.gz IGTHSKDDUHHVOP-CYBMUJFWSA-N 1 0 380.539 2.880 20 0 GFADRO Nc1ccc(C(=O)O[C@@H]2CC[N@H+](Cc3ccccc3)C2)nc1Br ZINC000837611802 661007864 /nfs/dbraw/zinc/00/78/64/661007864.db2.gz DIDZQDUSCDGVDU-CYBMUJFWSA-N 1 0 376.254 2.858 20 0 GFADRO C[NH+]1CCC(NC(=O)[C@@H](c2ccc(Br)cc2)N2CCCC2)CC1 ZINC000125564829 654798108 /nfs/dbraw/zinc/79/81/08/654798108.db2.gz OXTKBZCCGMMBJZ-QGZVFWFLSA-N 1 0 380.330 2.796 20 0 GFADRO Cc1noc(CCC(=O)N(CC[NH+](C)C)Cc2ccc(Br)cc2)n1 ZINC000125819362 654802962 /nfs/dbraw/zinc/80/29/62/654802962.db2.gz UPNJEPORAVCMHW-UHFFFAOYSA-N 1 0 395.301 2.664 20 0 GFADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cc1ccccc1I ZINC000125878863 654804231 /nfs/dbraw/zinc/80/42/31/654804231.db2.gz JHTFRRZCHKWCJG-CABCVRRESA-N 1 0 398.288 2.919 20 0 GFADRO C[C@@H]1CN(C(=O)c2c(Br)nc3n2CCCC3)CC[N@@H+](C2CC2)C1 ZINC000837671675 661010766 /nfs/dbraw/zinc/01/07/66/661010766.db2.gz BUKIPYIKNPDVPX-LBPRGKRZSA-N 1 0 381.318 2.538 20 0 GFADRO COc1cc(Br)ccc1C(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000125945927 654805958 /nfs/dbraw/zinc/80/59/58/654805958.db2.gz HVUXAUGDTCZLDY-BETUJISGSA-N 1 0 385.302 2.687 20 0 GFADRO CC[NH+]1CCN([C@@H](C)CNC(=O)c2cc(Cl)cc(Br)c2)CC1 ZINC000126018250 654806769 /nfs/dbraw/zinc/80/67/69/654806769.db2.gz WCTXNIFHGIYSNI-LBPRGKRZSA-N 1 0 388.737 2.858 20 0 GFADRO CC[C@@H](C)[N@H+](C)CCNS(=O)(=O)c1cc(N(C)C)ccc1Br ZINC000126825278 654822101 /nfs/dbraw/zinc/82/21/01/654822101.db2.gz JWSNAELPYWKWTI-GFCCVEGCSA-N 1 0 392.363 2.524 20 0 GFADRO Cc1cc(Cl)ccc1S(=O)(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000127522883 654831175 /nfs/dbraw/zinc/83/11/75/654831175.db2.gz MBUXYHPGJYWHCH-SJORKVTESA-N 1 0 386.945 2.695 20 0 GFADRO COCc1nc2n(n1)C[C@H]([NH2+][C@H](C)c1ccc(Br)cc1F)CC2 ZINC000128031011 654840036 /nfs/dbraw/zinc/84/00/36/654840036.db2.gz ZVOTZOHGRHMCHR-ZYHUDNBSSA-N 1 0 383.265 2.992 20 0 GFADRO O=C(CSc1cccc[n+]1[O-])Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000061572585 654840320 /nfs/dbraw/zinc/84/03/20/654840320.db2.gz RKCUPMXZOKOQQP-UHFFFAOYSA-N 1 0 375.519 2.600 20 0 GFADRO CC[NH+](CC)[C@H]1CCN(S(=O)(=O)c2ccc(Br)c(C)c2)C1 ZINC000062983938 654848349 /nfs/dbraw/zinc/84/83/49/654848349.db2.gz DPOPBYYVXQENOB-ZDUSSCGKSA-N 1 0 375.332 2.862 20 0 GFADRO CCOC(=O)C[C@H](NC(=O)C[C@@H]1CC[NH2+]C1)c1ccc(Br)cc1 ZINC000129083093 654856063 /nfs/dbraw/zinc/85/60/63/654856063.db2.gz GNOOAHBQCOKAHF-WFASDCNBSA-N 1 0 383.286 2.559 20 0 GFADRO Cc1ccc(Br)cc1S(=O)(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000129177462 654859105 /nfs/dbraw/zinc/85/91/05/654859105.db2.gz OQZAWBQWYRAZAA-UKRRQHHQSA-N 1 0 387.343 2.862 20 0 GFADRO COc1ccc(S(=O)(=O)N(C)CC2CC[NH+](C)CC2)c(Cl)c1Cl ZINC000266168960 654860462 /nfs/dbraw/zinc/86/04/62/654860462.db2.gz MWUPQXXCUKVNHZ-UHFFFAOYSA-N 1 0 381.325 2.964 20 0 GFADRO O=C(/C=C/c1ccc(Br)cc1)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000266196459 654862313 /nfs/dbraw/zinc/86/23/13/654862313.db2.gz GFMTYWSRLAWMGG-GIZXNFQBSA-N 1 0 379.298 2.643 20 0 GFADRO C[C@@H]1C[C@@H](C)CN(S(=O)(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)C1 ZINC000064599397 654872467 /nfs/dbraw/zinc/87/24/67/654872467.db2.gz NSHRYEPOBZVBAK-ZACQAIPSSA-N 1 0 385.599 2.772 20 0 GFADRO CS(=O)(=O)N1CCC([NH2+][C@@H]2CCc3ccc(OC(F)(F)F)cc32)CC1 ZINC000129780892 654873324 /nfs/dbraw/zinc/87/33/24/654873324.db2.gz CXZLVUCHMPAZLX-OAHLLOKOSA-N 1 0 378.416 2.586 20 0 GFADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)/C=C/c2ccc(I)o2)C1 ZINC000266383968 654876161 /nfs/dbraw/zinc/87/61/61/654876161.db2.gz IQUHOGCQQKVYSO-PZBABLGHSA-N 1 0 388.249 2.698 20 0 GFADRO Cc1ccc(-n2nc(Br)cc2C(=O)NC[C@@H]2CCC[NH2+]C2)cc1 ZINC000129918278 654877367 /nfs/dbraw/zinc/87/73/67/654877367.db2.gz VYABKHMFXCBKTR-CYBMUJFWSA-N 1 0 377.286 2.673 20 0 GFADRO O=C(NC[C@@H]1CCC[NH2+]C1)c1cc(I)ccc1Cl ZINC000129921300 654877782 /nfs/dbraw/zinc/87/77/82/654877782.db2.gz JRWABOZZQRNITC-SECBINFHSA-N 1 0 378.641 2.674 20 0 GFADRO CCN(CC)C(=O)[C@H]1CCC[N@@H+]1C[C@H](O)COc1ccc(Br)cc1 ZINC000065296757 654879940 /nfs/dbraw/zinc/87/99/40/654879940.db2.gz YXMBOXSZTGBOBG-DOTOQJQBSA-N 1 0 399.329 2.522 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)C(=O)NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000065638932 654883450 /nfs/dbraw/zinc/88/34/50/654883450.db2.gz OUOICZWQIYUPDR-ZDUSSCGKSA-N 1 0 382.302 2.543 20 0 GFADRO Cc1nsc(N2CCC[N@H+](C[C@@H](O)c3ccc(Br)cc3)CC2)n1 ZINC000266597407 654886446 /nfs/dbraw/zinc/88/64/46/654886446.db2.gz OWVYCSWLRPLSPR-OAHLLOKOSA-N 1 0 397.342 2.855 20 0 GFADRO C[N@H+](CC(=O)N1CCO[C@@H](c2ccccc2Br)C1)[C@@H]1CCSC1 ZINC000130290420 654886912 /nfs/dbraw/zinc/88/69/12/654886912.db2.gz MFERQAGKDQKWDA-CZUORRHYSA-N 1 0 399.354 2.786 20 0 GFADRO Cc1sc(Br)cc1S(=O)(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000130821142 654892242 /nfs/dbraw/zinc/89/22/42/654892242.db2.gz NQUIIGRUYVGIEN-AXFHLTTASA-N 1 0 379.345 2.567 20 0 GFADRO O=S(=O)(c1cccc(Cl)c1F)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000266758464 654892783 /nfs/dbraw/zinc/89/27/83/654892783.db2.gz SEDUXNPDGIHQRI-UHFFFAOYSA-N 1 0 390.908 2.745 20 0 GFADRO CC[NH+](CC)CCNC(=O)NCc1cc(OC)c(OC)cc1Br ZINC000066174314 654896446 /nfs/dbraw/zinc/89/64/46/654896446.db2.gz GMXZRUVJVAZNMH-UHFFFAOYSA-N 1 0 388.306 2.607 20 0 GFADRO C[C@@H]([NH2+]C[C@H](O)c1cccc(Cl)c1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000266881155 654897294 /nfs/dbraw/zinc/89/72/94/654897294.db2.gz PJCXUMUHTRQJCQ-ACJLOTCBSA-N 1 0 382.913 2.975 20 0 GFADRO C[C@@H]([NH2+]C[C@@H](O)c1cccc(Cl)c1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000266881159 654897404 /nfs/dbraw/zinc/89/74/04/654897404.db2.gz PJCXUMUHTRQJCQ-FZKQIMNGSA-N 1 0 382.913 2.975 20 0 GFADRO COc1ccc(S(=O)(=O)NC2CC[NH+](CCOC(C)C)CC2)cc1Cl ZINC000266951814 654900598 /nfs/dbraw/zinc/90/05/98/654900598.db2.gz HWALSIDOIJOOGV-UHFFFAOYSA-N 1 0 390.933 2.516 20 0 GFADRO CC(C)(C)OC(=O)N1CCC(C[N@H+](CCS(C)(=O)=O)C(C)(C)C)CC1 ZINC000131553280 654909775 /nfs/dbraw/zinc/90/97/75/654909775.db2.gz ZYVPCBZEKYNSOP-UHFFFAOYSA-N 1 0 376.563 2.779 20 0 GFADRO C[NH+]1CCC(O)(CNC(=O)CCCOc2cccc(Cl)c2Cl)CC1 ZINC000267102196 654911035 /nfs/dbraw/zinc/91/10/35/654911035.db2.gz LZAGNLSOAXYJCQ-UHFFFAOYSA-N 1 0 375.296 2.725 20 0 GFADRO Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)NCC1(O)CC[NH+](C)CC1 ZINC000267202827 654917256 /nfs/dbraw/zinc/91/72/56/654917256.db2.gz YGCJTZGGRNXALI-UHFFFAOYSA-N 1 0 379.913 2.958 20 0 GFADRO COc1cc(Cl)c(Cl)cc1C(=O)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000267211379 654917886 /nfs/dbraw/zinc/91/78/86/654917886.db2.gz RUFBRVZVWLLGCX-UHFFFAOYSA-N 1 0 386.323 2.856 20 0 GFADRO COCCOc1c(Cl)cccc1NC(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000267217704 654918134 /nfs/dbraw/zinc/91/81/34/654918134.db2.gz RVZOHCZTTDSNTJ-KRWDZBQOSA-N 1 0 387.933 2.924 20 0 GFADRO C[NH+](C)C1(C(=O)N2CCN(Cc3ccc(Br)c(F)c3)CC2)CCC1 ZINC000132268760 654931508 /nfs/dbraw/zinc/93/15/08/654931508.db2.gz KEHDUQYWGCLXDC-UHFFFAOYSA-N 1 0 398.320 2.717 20 0 GFADRO C[C@H](CNc1ncc(Br)cn1)[NH+]1CCN(c2ccccc2)CC1 ZINC000067351079 654936399 /nfs/dbraw/zinc/93/63/99/654936399.db2.gz PRWWKWGIDKNUNF-CQSZACIVSA-N 1 0 376.302 2.862 20 0 GFADRO C[C@@H](NC(=O)C[NH+]1CCC2(CNC(=O)C2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000267641081 654939813 /nfs/dbraw/zinc/93/98/13/654939813.db2.gz ISWABYDCXKOCMT-GFCCVEGCSA-N 1 0 384.307 2.773 20 0 GFADRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)c2cc(S(C)(=O)=O)cs2)C1 ZINC000132956523 654950127 /nfs/dbraw/zinc/95/01/27/654950127.db2.gz HBSCNYZQQCDVQY-GJZGRUSLSA-N 1 0 384.567 2.878 20 0 GFADRO O=C(CCC[NH+]1CCN(c2ccccc2)CC1)NC[C@H]1CSCCS1 ZINC000133021581 654952326 /nfs/dbraw/zinc/95/23/26/654952326.db2.gz QWOQYOCSLMXXBX-SFHVURJKSA-N 1 0 379.595 2.554 20 0 GFADRO CC[NH+]1CCN(CCCNC(=O)c2cc3ccc(Br)cc3[nH]2)CC1 ZINC000068080591 654953756 /nfs/dbraw/zinc/95/37/56/654953756.db2.gz QFNKLZCNOQOJFN-UHFFFAOYSA-N 1 0 393.329 2.688 20 0 GFADRO CSCC[C@@H](NC(=O)c1ccccc1Cl)C(=O)N[C@@H](C)CC[NH+](C)C ZINC000068474792 654963738 /nfs/dbraw/zinc/96/37/38/654963738.db2.gz ZNFJTFARIFBJRS-XJKSGUPXSA-N 1 0 385.961 2.648 20 0 GFADRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1c(F)cccc1I ZINC000268344946 654967703 /nfs/dbraw/zinc/96/77/03/654967703.db2.gz IFKTWJPLZGHYFA-STQMWFEESA-N 1 0 388.224 2.787 20 0 GFADRO CN(C[C@@H](O)c1ccccc1Br)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000838484568 661047284 /nfs/dbraw/zinc/04/72/84/661047284.db2.gz HLROMWBGCTYRNS-RHSMWYFYSA-N 1 0 396.329 2.608 20 0 GFADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(Br)cc1Cl ZINC000069503177 654982181 /nfs/dbraw/zinc/98/21/81/654982181.db2.gz JRDQTOBDPDWTPA-GFCCVEGCSA-N 1 0 375.694 2.943 20 0 GFADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[C@@H]1c1ccc(Br)cc1 ZINC000069501186 654982289 /nfs/dbraw/zinc/98/22/89/654982289.db2.gz HHRBMIUMSQBSGG-BRWVUGGUSA-N 1 0 381.314 2.780 20 0 GFADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000069531200 654983194 /nfs/dbraw/zinc/98/31/94/654983194.db2.gz VYMMDMLQAPVEQG-JSGCOSHPSA-N 1 0 375.296 2.988 20 0 GFADRO O=C(CCc1ccccc1Br)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000069742287 654986095 /nfs/dbraw/zinc/98/60/95/654986095.db2.gz UORXWUGGLIISEU-INIZCTEOSA-N 1 0 395.341 2.953 20 0 GFADRO CCOc1cc(C[NH2+]C[C@@](C)(O)COC)cc(Br)c1OC(F)F ZINC000069912441 654989254 /nfs/dbraw/zinc/98/92/54/654989254.db2.gz INQQNFQOYFLJMH-OAHLLOKOSA-N 1 0 398.244 2.936 20 0 GFADRO C[C@H]([NH2+]CC1CCSCC1)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000268895752 654990282 /nfs/dbraw/zinc/99/02/82/654990282.db2.gz PFABSEPROIZNNP-HNNXBMFYSA-N 1 0 384.567 2.501 20 0 GFADRO C[N@H+](CC(=O)Nc1ccc(I)cc1)[C@@H](CO)C(C)(C)C ZINC000134368077 654992361 /nfs/dbraw/zinc/99/23/61/654992361.db2.gz PTOMJMZIRUZREX-ZDUSSCGKSA-N 1 0 390.265 2.569 20 0 GFADRO [NH3+]CC[C@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2Cl)C1 ZINC000070170285 654992314 /nfs/dbraw/zinc/99/23/14/654992314.db2.gz AODAJTXSAKJBCM-SNVBAGLBSA-N 1 0 381.723 2.852 20 0 GFADRO CC[C@H]([NH3+])C(=O)N1CCC[C@H]1c1nc(Cc2ccc(Br)cc2)no1 ZINC000269053802 654996310 /nfs/dbraw/zinc/99/63/10/654996310.db2.gz NSSKVBFSEXFYGO-KBPBESRZSA-N 1 0 393.285 2.824 20 0 GFADRO C[C@H]([NH2+]C[C@H](O)COc1ccc(Br)cc1)c1nnc2ccccn21 ZINC000070869410 654996329 /nfs/dbraw/zinc/99/63/29/654996329.db2.gz FVDHFIBKIDRCFN-JSGCOSHPSA-N 1 0 391.269 2.582 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)C(=O)NCC[NH+]1CCC(C)CC1 ZINC000071008147 654998152 /nfs/dbraw/zinc/99/81/52/654998152.db2.gz AMTCQPVQTYMVPM-UHFFFAOYSA-N 1 0 382.302 2.544 20 0 GFADRO Cc1cc(S(=O)(=O)NCC[N@@H+](C)C2CCCC2)ccc1Br ZINC000071379920 655000028 /nfs/dbraw/zinc/00/00/28/655000028.db2.gz XRZDWAFIPNVOOY-UHFFFAOYSA-N 1 0 375.332 2.910 20 0 GFADRO CCOc1cc(Br)c(NC(=O)C[C@H]2C[NH2+]CCO2)cc1OCC ZINC000269275573 655003838 /nfs/dbraw/zinc/00/38/38/655003838.db2.gz ZSSGIEWWQWUTKA-NSHDSACASA-N 1 0 387.274 2.564 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)c2cc(F)ccc2I)C1 ZINC000269288133 655004335 /nfs/dbraw/zinc/00/43/35/655004335.db2.gz SXPARGAQOUBIQX-NXEZZACHSA-N 1 0 376.213 2.630 20 0 GFADRO CS(=O)(=O)NCC[C@H]1CCCC[N@@H+]1C[C@H](O)c1ccc(Cl)cc1Cl ZINC000135067118 655008504 /nfs/dbraw/zinc/00/85/04/655008504.db2.gz BHBKBLIMKUWQSP-CJNGLKHVSA-N 1 0 395.352 2.821 20 0 GFADRO C[C@H]1C[N@@H+](C2CCN(Cc3cnc4ccc(Br)cn34)CC2)CCO1 ZINC000092078765 655011468 /nfs/dbraw/zinc/01/14/68/655011468.db2.gz AQNCUDCXKZCMQN-AWEZNQCLSA-N 1 0 393.329 2.782 20 0 GFADRO Cc1cc(C[N@@H+]2CCC[C@H](CNS(C)(=O)=O)C2)cc(C)c1OC(F)F ZINC000269545190 655013337 /nfs/dbraw/zinc/01/33/37/655013337.db2.gz YAUXKVDONVCZLY-CQSZACIVSA-N 1 0 376.469 2.666 20 0 GFADRO COC(=O)[C@@H]1CC[N@H+](Cc2ccnc(-c3ccc(Br)cc3)n2)C1 ZINC000269666111 655016355 /nfs/dbraw/zinc/01/63/55/655016355.db2.gz RZNPFYNNCSAHKZ-CYBMUJFWSA-N 1 0 376.254 2.901 20 0 GFADRO CC[NH+]1CCN([C@@H]2CCN(Cc3cc(OC)ccc3Br)C2)CC1 ZINC000093132916 655017502 /nfs/dbraw/zinc/01/75/02/655017502.db2.gz WLLKDXYAPXJABM-MRXNPFEDSA-N 1 0 382.346 2.670 20 0 GFADRO O[C@@H](COc1cc(Cl)ccc1Cl)C[N@@H+]1CCS[C@H]2COCC[C@@H]21 ZINC000135562139 655020470 /nfs/dbraw/zinc/02/04/70/655020470.db2.gz WGYHSPJUDRYGTJ-INWMFGNUSA-N 1 0 378.321 2.939 20 0 GFADRO CNC(=O)[C@H](C)C[N@H+](C)Cc1cn(-c2ccc(Br)cc2)nc1C ZINC000093898744 655021601 /nfs/dbraw/zinc/02/16/01/655021601.db2.gz ILZBZHKTNGWARV-GFCCVEGCSA-N 1 0 379.302 2.757 20 0 GFADRO CC(C)[N@H+](C)CCCNC(=O)C(=O)Nc1cc(F)c(Br)cc1F ZINC000269875788 655025630 /nfs/dbraw/zinc/02/56/30/655025630.db2.gz HWWDBYSLCNLZFK-UHFFFAOYSA-N 1 0 392.244 2.512 20 0 GFADRO Cc1c(C(=O)N[C@H]2CC[C@@H]([NH+](C)C)C2)nnn1-c1cccc(Br)c1 ZINC000093991114 655025708 /nfs/dbraw/zinc/02/57/08/655025708.db2.gz ORGTWMHOEDWKIV-UONOGXRCSA-N 1 0 392.301 2.551 20 0 GFADRO COc1ccc(Br)c(C(=O)NCCC[NH2+]Cc2cncs2)c1 ZINC000136097463 655027541 /nfs/dbraw/zinc/02/75/41/655027541.db2.gz GKGLZEYRPOAMIW-UHFFFAOYSA-N 1 0 384.299 2.824 20 0 GFADRO COc1cccc([C@H](CNC(=O)c2cccc(Br)n2)[NH+](C)C)c1 ZINC000136165801 655028310 /nfs/dbraw/zinc/02/83/10/655028310.db2.gz AIZQQQGFDWASSE-HNNXBMFYSA-N 1 0 378.270 2.885 20 0 GFADRO C[NH+](C)CCn1cc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)ccc1=O ZINC000270060666 655032963 /nfs/dbraw/zinc/03/29/63/655032963.db2.gz UPCHKLCZPKUAIQ-UHFFFAOYSA-N 1 0 390.292 2.518 20 0 GFADRO Cc1cc(S(=O)(=O)NCC[NH2+][C@H](C)CCc2ccc(O)cc2)c(C)s1 ZINC000136630115 655034048 /nfs/dbraw/zinc/03/40/48/655034048.db2.gz YKENIMDGZKCWHQ-CYBMUJFWSA-N 1 0 382.551 2.960 20 0 GFADRO OC[C@H]1CCC[N@H+](C[C@@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000098143661 655040709 /nfs/dbraw/zinc/04/07/09/655040709.db2.gz VAEGWZNPUZQCSC-WCQYABFASA-N 1 0 378.694 2.547 20 0 GFADRO C[N@H+](CCCO)C1CCN(C(=O)c2cccnc2SC(F)(F)F)CC1 ZINC000270367108 655042328 /nfs/dbraw/zinc/04/23/28/655042328.db2.gz KQJOXNLRENKPOI-UHFFFAOYSA-N 1 0 377.432 2.612 20 0 GFADRO CCOc1cc(C[N@H+](C)CC2CCS(=O)(=O)CC2)ccc1OC(F)F ZINC000270408630 655043577 /nfs/dbraw/zinc/04/35/77/655043577.db2.gz DJCSTGAYIZNIAX-UHFFFAOYSA-N 1 0 377.453 2.943 20 0 GFADRO CCOc1cc(C[NH2+]CCCNc2ncccn2)cc(Br)c1O ZINC000838886702 661061800 /nfs/dbraw/zinc/06/18/00/661061800.db2.gz OSBVNXQEHWZFHO-UHFFFAOYSA-N 1 0 381.274 2.935 20 0 GFADRO C[NH+](C)CCN(Cc1cccc(F)c1)S(=O)(=O)Cc1ccc(Cl)nc1 ZINC000101575039 655044782 /nfs/dbraw/zinc/04/47/82/655044782.db2.gz ARJGCUDVWGJSFJ-UHFFFAOYSA-N 1 0 385.892 2.768 20 0 GFADRO O=S(=O)(NC1CC[NH+](CCc2ccncc2)CC1)c1ccc(Cl)s1 ZINC000101578180 655045078 /nfs/dbraw/zinc/04/50/78/655045078.db2.gz TTYLTZPWVUSBEE-UHFFFAOYSA-N 1 0 385.942 2.782 20 0 GFADRO CC[NH+]1CCN([C@H](C)CNC(=O)Cc2csc(-c3cccs3)n2)CC1 ZINC000101687567 655046012 /nfs/dbraw/zinc/04/60/12/655046012.db2.gz MZPCNACXZACXDE-CQSZACIVSA-N 1 0 378.567 2.556 20 0 GFADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)Nc1cccc(Br)c1 ZINC000102050846 655050122 /nfs/dbraw/zinc/05/01/22/655050122.db2.gz PPNWZWRPYPJFPV-OAHLLOKOSA-N 1 0 397.317 2.513 20 0 GFADRO Cc1ccc(NC(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)c(Br)n1 ZINC000151423869 655050959 /nfs/dbraw/zinc/05/09/59/655050959.db2.gz BSJWPQNYJPKCLT-ZDUSSCGKSA-N 1 0 385.306 2.727 20 0 GFADRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)c1cc(Br)cnc1Cl ZINC000102491273 655055578 /nfs/dbraw/zinc/05/55/78/655055578.db2.gz LLQHNBWOTQJTGP-GFCCVEGCSA-N 1 0 390.709 2.680 20 0 GFADRO CC[C@](C)(CC(=O)OC)[NH2+]CCS(=O)(=O)c1cccc(Br)c1 ZINC000152040185 655056232 /nfs/dbraw/zinc/05/62/32/655056232.db2.gz FTPULFJOKHHGTF-OAHLLOKOSA-N 1 0 392.315 2.544 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1CCNC(=O)CSc1nnc(-c2cccs2)n1C ZINC000102635834 655056651 /nfs/dbraw/zinc/05/66/51/655056651.db2.gz WQAJVWCYDQUOSN-CYBMUJFWSA-N 1 0 379.555 2.626 20 0 GFADRO C[NH+]1CCC(NC(=O)c2ccc(I)cc2Cl)CC1 ZINC000102783366 655060845 /nfs/dbraw/zinc/06/08/45/655060845.db2.gz VSEGCOFWPMKHGR-UHFFFAOYSA-N 1 0 378.641 2.769 20 0 GFADRO COc1cc(Br)cc(NC(=O)NC2CCN(CC[NH+](C)C)CC2)c1 ZINC000271242447 655072348 /nfs/dbraw/zinc/07/23/48/655072348.db2.gz UUGSBMFJCKMGSE-UHFFFAOYSA-N 1 0 399.333 2.605 20 0 GFADRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)NNC(=O)c1ccccc1Br ZINC000154102367 655073461 /nfs/dbraw/zinc/07/34/61/655073461.db2.gz QEEPGUSYKWQRLO-CYBMUJFWSA-N 1 0 397.317 2.658 20 0 GFADRO CN1CC[NH+](CCCCNC(=O)NCCc2c(Cl)cccc2Cl)CC1 ZINC000103513663 655074200 /nfs/dbraw/zinc/07/42/00/655074200.db2.gz JFEVARGTDXXGIX-UHFFFAOYSA-N 1 0 387.355 2.863 20 0 GFADRO O=S(=O)(N1CCC([NH2+][C@H]2CCc3c2cc(F)cc3F)CC1)C(F)(F)F ZINC000154798013 655078522 /nfs/dbraw/zinc/07/85/22/655078522.db2.gz GMKNOYGMDBNHTA-AWEZNQCLSA-N 1 0 384.370 2.856 20 0 GFADRO C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]C[C@H](O)C1CCOCC1 ZINC000271527369 655084014 /nfs/dbraw/zinc/08/40/14/655084014.db2.gz RHBXRIDMCBOCKE-LRDDRELGSA-N 1 0 385.302 2.543 20 0 GFADRO O=C(CC[NH+]1CCC(N2CCCC2=O)CC1)Nc1ccc(Br)cc1 ZINC000104727345 655084509 /nfs/dbraw/zinc/08/45/09/655084509.db2.gz UNPJMUINRMPANA-UHFFFAOYSA-N 1 0 394.313 2.865 20 0 GFADRO Cc1sc(Br)cc1S(=O)(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000155459877 655084966 /nfs/dbraw/zinc/08/49/66/655084966.db2.gz PVWALWSQPQYQJQ-WDEREUQCSA-N 1 0 381.361 2.970 20 0 GFADRO CC(=O)Nc1cc(F)c(S(=O)(=O)NCC[NH+]2CCCCCC2)cc1Cl ZINC000104734738 655084962 /nfs/dbraw/zinc/08/49/62/655084962.db2.gz GXQWUSAJYVSJHF-UHFFFAOYSA-N 1 0 391.896 2.592 20 0 GFADRO CC(=O)Nc1cc(F)c(S(=O)(=O)NCC[N@@H+](C)C2CCCC2)cc1Cl ZINC000104755310 655086087 /nfs/dbraw/zinc/08/60/87/655086087.db2.gz XDAWMCYJWGUSMR-UHFFFAOYSA-N 1 0 391.896 2.590 20 0 GFADRO COCCN(CC[NH+](C)C)C(=O)N[C@H]1CCc2c1cccc2Br ZINC000105240013 655089782 /nfs/dbraw/zinc/08/97/82/655089782.db2.gz RWDGYRWBWVHHSM-INIZCTEOSA-N 1 0 384.318 2.656 20 0 GFADRO COc1c(Br)cc(Cl)cc1S(=O)(=O)N1CC[C@H]([NH3+])C[C@H]1C ZINC000156161617 655089960 /nfs/dbraw/zinc/08/99/60/655089960.db2.gz LLPPYAGFQYZTHE-SCZZXKLOSA-N 1 0 397.722 2.611 20 0 GFADRO C[C@@H]([NH2+][C@H]1CCN(c2cccc(Cl)c2)C1)c1cccc(S(N)(=O)=O)c1 ZINC000271774121 655094221 /nfs/dbraw/zinc/09/42/21/655094221.db2.gz UTDIHFPWFUSIEK-CJNGLKHVSA-N 1 0 379.913 2.917 20 0 GFADRO COc1cc(CNC(=O)NCC2=CC[N@H+](C)CC2)cc(Br)c1OC ZINC000271777395 655094483 /nfs/dbraw/zinc/09/44/83/655094483.db2.gz AXXAPHDLBOTEDS-UHFFFAOYSA-N 1 0 398.301 2.527 20 0 GFADRO C[C@H]([NH2+]CCS(=O)(=O)C(C)(C)C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000156675614 655095068 /nfs/dbraw/zinc/09/50/68/655095068.db2.gz CTCKNJGXROLSAD-GJZGRUSLSA-N 1 0 376.563 2.825 20 0 GFADRO C[N@H+](CCC(=O)Nc1ccc(Br)cc1F)[C@H]1CCCCNC1=O ZINC000105613806 655096084 /nfs/dbraw/zinc/09/60/84/655096084.db2.gz GTUALINPJQQFCK-AWEZNQCLSA-N 1 0 386.265 2.517 20 0 GFADRO O=S1(=O)CC[C@@]2(C1)C[C@@H]([NH2+]Cc1ccc(F)cc1C(F)(F)F)CCO2 ZINC000271920410 655098604 /nfs/dbraw/zinc/09/86/04/655098604.db2.gz BWWGHQDXUUHIRY-ZFWWWQNUSA-N 1 0 381.391 2.670 20 0 GFADRO O=S1(=O)CC[C@]2(C1)C[C@@H]([NH2+]Cc1nc(-c3ccccc3)cs1)CCO2 ZINC000271962661 655099527 /nfs/dbraw/zinc/09/95/27/655099527.db2.gz GGEZKKVGVKMICA-MAUKXSAKSA-N 1 0 378.519 2.636 20 0 GFADRO O=S1(=O)CC[C@@]2(C1)C[C@@H]([NH2+]Cc1cc(C(F)(F)F)ccc1F)CCO2 ZINC000272106091 655102822 /nfs/dbraw/zinc/10/28/22/655102822.db2.gz WWJPOTPXKAWIRM-ZFWWWQNUSA-N 1 0 381.391 2.670 20 0 GFADRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)c1cc2c(c(Br)c1)OCO2 ZINC000272142809 655103945 /nfs/dbraw/zinc/10/39/45/655103945.db2.gz DTCRLLFECBXFLG-LLVKDONJSA-N 1 0 383.286 2.980 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)[C@@H]1CSCN1C(=O)CC(C)(C)C)c1cccs1 ZINC000106355196 655106787 /nfs/dbraw/zinc/10/67/87/655106787.db2.gz XXBVUTTYASQJMU-KBPBESRZSA-N 1 0 383.583 2.805 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)[C@H](c2ccc(Cl)cc2Cl)N2CCOCC2)C1 ZINC000272287902 655108059 /nfs/dbraw/zinc/10/80/59/655108059.db2.gz PCXZJMQGFNYTFU-AHIWAGSCSA-N 1 0 386.323 2.562 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCN(C(=O)c2ccc(Cl)c(I)c2)C1 ZINC000272324714 655109047 /nfs/dbraw/zinc/10/90/47/655109047.db2.gz UOIWUPXPDHBLFL-WPRPVWTQSA-N 1 0 378.641 2.754 20 0 GFADRO C[N@@H+]1CC[C@H]2CCN(C(=O)Nc3ccc(I)cc3)[C@H]2C1 ZINC000272343760 655109607 /nfs/dbraw/zinc/10/96/07/655109607.db2.gz ZERQVXFDCINULH-FZMZJTMJSA-N 1 0 385.249 2.849 20 0 GFADRO CC[NH+]1CCN([C@H]2CCN(C(=O)COc3ccc(Cl)c(Cl)c3)C2)CC1 ZINC000106799810 655111545 /nfs/dbraw/zinc/11/15/45/655111545.db2.gz KJOJHUKCBSCBJM-AWEZNQCLSA-N 1 0 386.323 2.611 20 0 GFADRO C[N@@H+]1CC[C@H]2CCN(C(=O)c3cc(F)ccc3I)[C@H]2C1 ZINC000272455675 655113123 /nfs/dbraw/zinc/11/31/23/655113123.db2.gz JWROZHWLZWZNNO-HZMBPMFUSA-N 1 0 388.224 2.597 20 0 GFADRO O=S(=O)(N[C@H]1CC[N@@H+](C2CCCC2)C1)c1ccccc1OC(F)(F)F ZINC000106891802 655113481 /nfs/dbraw/zinc/11/34/81/655113481.db2.gz FROCGMVDWWIFEK-LBPRGKRZSA-N 1 0 378.416 2.880 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC000106915100 655114832 /nfs/dbraw/zinc/11/48/32/655114832.db2.gz GDRLNZGHXYTOOI-INIZCTEOSA-N 1 0 384.318 2.789 20 0 GFADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc(I)c(F)c3)[C@H]2C1 ZINC000272517979 655115559 /nfs/dbraw/zinc/11/55/59/655115559.db2.gz POKXWTYYIQNJRS-YGRLFVJLSA-N 1 0 388.224 2.597 20 0 GFADRO Cc1n[nH]c(CC[NH2+][C@@H](C)c2nnn(-c3cccc(Br)c3)c2C)n1 ZINC000272569337 655116423 /nfs/dbraw/zinc/11/64/23/655116423.db2.gz OVXUIQVKGPYZSD-JTQLQIEISA-N 1 0 390.289 2.658 20 0 GFADRO Cc1sc2ncnc(SCC(=O)N3CC[C@@H]4CC[N@@H+](C)C[C@@H]43)c2c1C ZINC000272608928 655117314 /nfs/dbraw/zinc/11/73/14/655117314.db2.gz KAOYYXFWNMOFAT-KBPBESRZSA-N 1 0 376.551 2.953 20 0 GFADRO COCC[N@H+](C)CCCC1CCN(Cn2ncc(Cl)c(Cl)c2=O)CC1 ZINC000159877509 655117371 /nfs/dbraw/zinc/11/73/71/655117371.db2.gz JKEMVFODJOYVJI-UHFFFAOYSA-N 1 0 391.343 2.578 20 0 GFADRO C[C@H](NC(=O)c1cc(I)ccc1F)C1=CC[N@H+](C)CC1 ZINC000272666409 655118328 /nfs/dbraw/zinc/11/83/28/655118328.db2.gz HXENKUKUCAHGFB-JTQLQIEISA-N 1 0 388.224 2.811 20 0 GFADRO c1csc([C@@H](C[NH2+]C2CCN(c3nccs3)CC2)N2CCOCC2)c1 ZINC000272746167 655120208 /nfs/dbraw/zinc/12/02/08/655120208.db2.gz SAVZCBIGQQFNKN-MRXNPFEDSA-N 1 0 378.567 2.837 20 0 GFADRO CSC1(C[NH2+][C@@H](Cc2ccc(C(F)(F)F)cc2)C(N)=O)CCOCC1 ZINC000272945593 655126199 /nfs/dbraw/zinc/12/61/99/655126199.db2.gz CSGLCSUYFCIBML-AWEZNQCLSA-N 1 0 376.444 2.604 20 0 GFADRO C[C@H]([NH2+]CC(=O)Nc1nnc(C(C)(C)C)s1)c1ccc([S@@](C)=O)cc1 ZINC000272953397 655126283 /nfs/dbraw/zinc/12/62/83/655126283.db2.gz MSZVFDGRYCPEON-JPQMIFPKSA-N 1 0 380.539 2.862 20 0 GFADRO C[N@@H+]1CCC[C@H](CNC(=O)c2cc(-c3ccc(Br)cc3)n[nH]2)C1 ZINC000108329772 655131294 /nfs/dbraw/zinc/13/12/94/655131294.db2.gz FSOBMRWMBGXYQT-GFCCVEGCSA-N 1 0 377.286 2.911 20 0 GFADRO COCCN1CC[C@H]([NH2+]C[C@@H]2CCN(c3ccc(Br)cc3)C2)C1 ZINC000273148578 655132382 /nfs/dbraw/zinc/13/23/82/655132382.db2.gz XDFUYEXKRXDPQU-RDJZCZTQSA-N 1 0 382.346 2.586 20 0 GFADRO Cn1ncc(C(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2)c1Br ZINC000273168990 655133379 /nfs/dbraw/zinc/13/33/79/655133379.db2.gz DRHLVFNGNVUFFO-UHFFFAOYSA-N 1 0 383.265 2.526 20 0 GFADRO C[C@H](C(=O)Nc1cccnc1Cl)N1CC[NH+](CCc2cccs2)CC1 ZINC000108973381 655139894 /nfs/dbraw/zinc/13/98/94/655139894.db2.gz LFBJUXSKPRWQPZ-CQSZACIVSA-N 1 0 378.929 2.984 20 0 GFADRO COCCC[NH+]1CCC(Nc2ccc(S(=O)(=O)C(F)(F)F)cc2)CC1 ZINC000171070310 655148253 /nfs/dbraw/zinc/14/82/53/655148253.db2.gz ATLDRFISDZLNOG-UHFFFAOYSA-N 1 0 380.432 2.893 20 0 GFADRO CC[NH+]1CCN(CCCNC(=O)[C@H]2C[C@@H]2c2cccc(Br)c2)CC1 ZINC000109570159 655148850 /nfs/dbraw/zinc/14/88/50/655148850.db2.gz GIBSZZOBJDIKTA-MSOLQXFVSA-N 1 0 394.357 2.696 20 0 GFADRO O[C@@H](C[N@@H+]1CCCC[C@@H]1CN1CCOCC1)c1cccc(Br)c1 ZINC000109820452 655152926 /nfs/dbraw/zinc/15/29/26/655152926.db2.gz SKVFDKTXNMZFKD-MSOLQXFVSA-N 1 0 383.330 2.669 20 0 GFADRO O[C@@H](C[N@@H+]1CCCC[C@@H]1CN1CCOCC1)c1ccc(Br)cc1 ZINC000109821146 655153014 /nfs/dbraw/zinc/15/30/14/655153014.db2.gz HWYLNLASDDEHSE-MSOLQXFVSA-N 1 0 383.330 2.669 20 0 GFADRO COc1c(C)cc(C[NH2+]CC2CCN(S(=O)(=O)C(F)F)CC2)cc1C ZINC000171841837 655154448 /nfs/dbraw/zinc/15/44/48/655154448.db2.gz GDLDUPOPKKSLQJ-UHFFFAOYSA-N 1 0 376.469 2.666 20 0 GFADRO C[C@@H]1CN(C(=O)C[N@H+](C)CC2(c3ccc(Br)cc3)CC2)CCO1 ZINC000172586710 655158969 /nfs/dbraw/zinc/15/89/69/655158969.db2.gz KEPSAZAWSPYDAU-CQSZACIVSA-N 1 0 381.314 2.660 20 0 GFADRO O=S(=O)(NCC[C@H]1CCC[NH2+]C1)c1ccc(Br)cc1Cl ZINC000110792441 655160034 /nfs/dbraw/zinc/16/00/34/655160034.db2.gz GQVQAACOISGQSB-SNVBAGLBSA-N 1 0 381.723 2.771 20 0 GFADRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)COc2ccc(C=O)cc2Br)C1 ZINC000172906843 655160565 /nfs/dbraw/zinc/16/05/65/655160565.db2.gz XDTBXWXRGLBXPZ-HNNXBMFYSA-N 1 0 397.313 2.877 20 0 GFADRO C[NH+]1CCC(CCNC(=O)Nc2ccncc2I)CC1 ZINC000273898072 655163284 /nfs/dbraw/zinc/16/32/84/655163284.db2.gz SAKKXYBGXDRZHX-UHFFFAOYSA-N 1 0 388.253 2.540 20 0 GFADRO CCOCC[NH+]1CCN(Cn2ncn(-c3cccc(Cl)c3)c2=S)CC1 ZINC000111164573 655165848 /nfs/dbraw/zinc/16/58/48/655165848.db2.gz VYVVSYQQGGQPJR-UHFFFAOYSA-N 1 0 381.933 2.668 20 0 GFADRO O=C1CCCN1[C@H]1CCC[N@@H+](C[C@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000111294619 655167995 /nfs/dbraw/zinc/16/79/95/655167995.db2.gz WMCDOGYEBHQSKS-GJZGRUSLSA-N 1 0 387.307 2.820 20 0 GFADRO CC[C@@H]([NH3+])CNS(=O)(=O)c1c(Cl)cc(Br)cc1Cl ZINC000111304589 655168341 /nfs/dbraw/zinc/16/83/41/655168341.db2.gz LLNOHKWLXOLTCZ-SSDOTTSWSA-N 1 0 376.103 2.772 20 0 GFADRO CC[N@@H+]1CCCC[C@@H]1CNS(=O)(=O)c1cc(Br)ccc1OC ZINC000111353171 655170529 /nfs/dbraw/zinc/17/05/29/655170529.db2.gz DPBUQSMPQXGBCX-CYBMUJFWSA-N 1 0 391.331 2.610 20 0 GFADRO C[C@H]([NH2+]Cc1cc2c(c(Br)c1)OCO2)C(=O)NCc1ccco1 ZINC000111398948 655172547 /nfs/dbraw/zinc/17/25/47/655172547.db2.gz POUYNXWBLZWWMO-JTQLQIEISA-N 1 0 381.226 2.565 20 0 GFADRO C[NH+](C)CC(=O)N1CCC[C@H]1c1nc(Cc2ccc(Br)cc2)no1 ZINC000111651089 655175320 /nfs/dbraw/zinc/17/53/20/655175320.db2.gz OGYWHMXRWRWWGO-AWEZNQCLSA-N 1 0 393.285 2.648 20 0 GFADRO Brc1c(-c2nc([C@H]3C[N@@H+]4CCC[C@H]4CO3)no2)n[nH]c1C1CC1 ZINC000274147637 655175527 /nfs/dbraw/zinc/17/55/27/655175527.db2.gz YOFRLNUXSAAGHS-VHSXEESVSA-N 1 0 380.246 2.635 20 0 GFADRO CC[NH+]1CCN([C@@H]2CCN(Cc3ccc(I)cc3)C2)CC1 ZINC000173709569 655177008 /nfs/dbraw/zinc/17/70/08/655177008.db2.gz PWCKILJQQFLGQV-QGZVFWFLSA-N 1 0 399.320 2.503 20 0 GFADRO Cc1cc(N2CC[C@H]([N@H+](C)CCc3ccc(Br)cc3)C2=O)n(C)n1 ZINC000173708430 655177100 /nfs/dbraw/zinc/17/71/00/655177100.db2.gz LOMOHAVJMYGGER-INIZCTEOSA-N 1 0 391.313 2.771 20 0 GFADRO CC[NH+]1CCC(NC(=O)N[C@@H]2CCN(c3ccccc3Br)C2)CC1 ZINC000111801994 655177481 /nfs/dbraw/zinc/17/74/81/655177481.db2.gz QJAPSUMSFUQHIN-OAHLLOKOSA-N 1 0 395.345 2.811 20 0 GFADRO Cn1ncc(C(=O)Nc2cccc(OCCC[NH+](C)C)c2)c1Br ZINC000274181640 655177711 /nfs/dbraw/zinc/17/77/11/655177711.db2.gz OSNLIKFCRYAWGH-UHFFFAOYSA-N 1 0 381.274 2.765 20 0 GFADRO CC[C@@H](CO)[NH+]1CCN(CC(=O)Nc2cc(Cl)c(Cl)cc2Cl)CC1 ZINC000173742448 655178971 /nfs/dbraw/zinc/17/89/71/655178971.db2.gz KFPXNVZVWFJTPK-NSHDSACASA-N 1 0 394.730 2.974 20 0 GFADRO CCCC[N@H+](C)CCNC(=O)CCNC(=O)Nc1ccc(Br)cc1 ZINC000112309622 655188441 /nfs/dbraw/zinc/18/84/41/655188441.db2.gz LZMFSTGEZXYDDO-UHFFFAOYSA-N 1 0 399.333 2.809 20 0 GFADRO CC[NH+](CC)[C@@H]1CCN(S(=O)(=O)c2cc(Br)c(F)cc2F)C1 ZINC000173995732 655188933 /nfs/dbraw/zinc/18/89/33/655188933.db2.gz HXHOIWQXWYIKBJ-SNVBAGLBSA-N 1 0 397.285 2.832 20 0 GFADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)N(C)Cc1cccc(Br)c1 ZINC000274459682 655189489 /nfs/dbraw/zinc/18/94/89/655189489.db2.gz BOPOIBJECBCGOB-OAHLLOKOSA-N 1 0 397.361 2.617 20 0 GFADRO O=C1CCCN1CCC[NH2+]Cc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000112371055 655190144 /nfs/dbraw/zinc/19/01/44/655190144.db2.gz RVFBJVNYCYZRBZ-UHFFFAOYSA-N 1 0 377.286 2.941 20 0 GFADRO CCCC[N@H+](C)CCNC(=O)NCc1cn2cc(Br)ccc2n1 ZINC000112444348 655191322 /nfs/dbraw/zinc/19/13/22/655191322.db2.gz MZYODWKDJQWIQS-UHFFFAOYSA-N 1 0 382.306 2.628 20 0 GFADRO CCC(C)(C)[NH2+][C@H](C)C(=O)Nc1cc(Cl)ccc1OCCS(C)(=O)=O ZINC000274707743 655198002 /nfs/dbraw/zinc/19/80/02/655198002.db2.gz SEGROBQXCDJQDH-GFCCVEGCSA-N 1 0 390.933 2.869 20 0 GFADRO CS(=O)(=O)c1cc(C(=O)N2CCC(C[NH+]3CCCC3)CC2)ccc1Cl ZINC000112919112 655199770 /nfs/dbraw/zinc/19/97/70/655199770.db2.gz NAJNZSFXCDUHSZ-UHFFFAOYSA-N 1 0 384.929 2.692 20 0 GFADRO CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]C[C@]1(N(C)C)CCSC1 ZINC000274790541 655201776 /nfs/dbraw/zinc/20/17/76/655201776.db2.gz MLYXHQKLPINXNJ-MRXNPFEDSA-N 1 0 376.975 2.661 20 0 GFADRO COC(=O)c1cc(NC(=O)N(C)CC[N@H+](C)C2CC2)ccc1Br ZINC000274852707 655204420 /nfs/dbraw/zinc/20/44/20/655204420.db2.gz XFHYHDUKPCEJOU-UHFFFAOYSA-N 1 0 384.274 2.794 20 0 GFADRO C[NH+](C)C[C@H]1CCN(C(=O)c2cc(-c3ccc(Br)cc3)n[nH]2)C1 ZINC000113455836 655210721 /nfs/dbraw/zinc/21/07/21/655210721.db2.gz NFNUCUJHNUQCLH-GFCCVEGCSA-N 1 0 377.286 2.863 20 0 GFADRO C[NH+](C)C1(CNC(=O)N[C@@H]2CCc3c2cccc3Br)CCOCC1 ZINC000114026207 655217464 /nfs/dbraw/zinc/21/74/64/655217464.db2.gz CKYOTUHGGNZNJB-MRXNPFEDSA-N 1 0 396.329 2.846 20 0 GFADRO COc1cc(C[NH2+][C@@H]2CCCC[C@@H]2O)cc(I)c1OC ZINC000114215839 655218340 /nfs/dbraw/zinc/21/83/40/655218340.db2.gz LMTIFYALUHCLGP-OLZOCXBDSA-N 1 0 391.249 2.702 20 0 GFADRO C[C@H]([NH2+][C@@H](C)c1cn[nH]c1)C(=O)Nc1ccc(I)cc1 ZINC000275229113 655223901 /nfs/dbraw/zinc/22/39/01/655223901.db2.gz VNVZIMINTBJTTK-UWVGGRQHSA-N 1 0 384.221 2.692 20 0 GFADRO O=C(Cc1csc(-c2cccs2)n1)N1CC[NH+](C2CCOCC2)CC1 ZINC000175839319 655228194 /nfs/dbraw/zinc/22/81/94/655228194.db2.gz UXQZPJVAKNKKIH-UHFFFAOYSA-N 1 0 377.535 2.737 20 0 GFADRO CC[N@H+](C)C[C@H]1CCN(c2ncc(Cn3cc(Br)cn3)s2)C1 ZINC000275343603 655230617 /nfs/dbraw/zinc/23/06/17/655230617.db2.gz IADNJJPCSBCARK-GFCCVEGCSA-N 1 0 384.347 2.928 20 0 GFADRO COc1ccc(C[NH2+][C@H]2CCCO[C@@H]2c2cnn(C)c2)c(Br)c1O ZINC000275367283 655232171 /nfs/dbraw/zinc/23/21/71/655232171.db2.gz BTQKOIKMAHDMCC-SUMWQHHRSA-N 1 0 396.285 2.907 20 0 GFADRO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)c1cc(I)c[nH]1 ZINC000115340707 655235689 /nfs/dbraw/zinc/23/56/89/655235689.db2.gz UDYUJBJAWVPGJM-AWEZNQCLSA-N 1 0 397.260 2.522 20 0 GFADRO O=C(C[N@@H+](CCO)C1CCOCC1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000275500176 655238785 /nfs/dbraw/zinc/23/87/85/655238785.db2.gz GVUAUFUZCSVZKX-UHFFFAOYSA-N 1 0 380.794 2.771 20 0 GFADRO CS[C@@H]1CN(S(=O)(=O)c2ccc(Cl)nc2Cl)C[C@H]1[NH+]1CCCC1 ZINC000275505642 655239448 /nfs/dbraw/zinc/23/94/48/655239448.db2.gz RTGBMIGMRDMMGZ-GHMZBOCLSA-N 1 0 396.365 2.589 20 0 GFADRO CCOCCC[N@@H+]1CC[C@H](NS(=O)(=O)c2ccc(F)c(Cl)c2)[C@H](C)C1 ZINC000115591861 655240132 /nfs/dbraw/zinc/24/01/32/655240132.db2.gz DGJGUYCKONPQCU-DYVFJYSZSA-N 1 0 392.924 2.894 20 0 GFADRO C[C@@H]1CCC[C@](CNC(=O)CS(=O)(=O)c2ccc(Cl)cc2)([NH+](C)C)C1 ZINC000115667411 655241222 /nfs/dbraw/zinc/24/12/22/655241222.db2.gz WQDJQSCNGPYKGE-KDOFPFPSSA-N 1 0 386.945 2.740 20 0 GFADRO C[N@H+](CCNC(=O)c1cc(=O)[nH]c2c(Br)cccc12)C1CCCC1 ZINC000176261964 655242239 /nfs/dbraw/zinc/24/22/39/655242239.db2.gz GPIUQYZDQXJQQN-UHFFFAOYSA-N 1 0 392.297 2.895 20 0 GFADRO CN(C)C(=O)c1ccc(C[NH2+][C@H]2CCN(c3ccc(Br)cc3)C2)[nH]1 ZINC000176751685 655255218 /nfs/dbraw/zinc/25/52/18/655255218.db2.gz JTMBJEGUKTUHBL-HNNXBMFYSA-N 1 0 391.313 2.848 20 0 GFADRO Cc1nc2c(s1)[C@H]([N@H+](C)CCC(=O)NC(=O)NCC(F)(F)F)CCC2 ZINC000177069130 655266981 /nfs/dbraw/zinc/26/69/81/655266981.db2.gz OMEZDUGLBCHTFA-LLVKDONJSA-N 1 0 378.420 2.539 20 0 GFADRO C[NH+](C)C1CCN(CCNC(=O)CCc2ccccc2Br)CC1 ZINC000177113336 655268839 /nfs/dbraw/zinc/26/88/39/655268839.db2.gz DJEBISWVKFFFPO-UHFFFAOYSA-N 1 0 382.346 2.524 20 0 GFADRO C[C@@H]([NH2+]C[C@H](O)c1ccc(Cl)cc1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000177194974 655270243 /nfs/dbraw/zinc/27/02/43/655270243.db2.gz ZBQMTBNSXUFAGL-ACJLOTCBSA-N 1 0 382.913 2.975 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1Cl)C1CC1 ZINC000118102465 655271782 /nfs/dbraw/zinc/27/17/82/655271782.db2.gz CNNHPFPZMWNTGZ-ZDUSSCGKSA-N 1 0 377.794 2.754 20 0 GFADRO C[N@H+](CCNC(=O)C(=O)Nc1ccc(Br)cc1)C1CCCCC1 ZINC000118099844 655271828 /nfs/dbraw/zinc/27/18/28/655271828.db2.gz ORCDEUSPESKMMI-UHFFFAOYSA-N 1 0 382.302 2.768 20 0 GFADRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(=O)Nc2cccc(Br)c2)C1 ZINC000118113241 655272194 /nfs/dbraw/zinc/27/21/94/655272194.db2.gz NFPGOQDHZUDUCN-ZDUSSCGKSA-N 1 0 382.302 2.624 20 0 GFADRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)c2cc3c(c(Br)c2)OCO3)C1 ZINC000177291791 655273321 /nfs/dbraw/zinc/27/33/21/655273321.db2.gz VDKXRUFDIUZEQP-LBPRGKRZSA-N 1 0 383.286 2.886 20 0 GFADRO Cc1cc(F)c(Br)cc1NC(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000276391145 655273767 /nfs/dbraw/zinc/27/37/67/655273767.db2.gz BVPHLLNIWGTRRR-ZFWWWQNUSA-N 1 0 398.276 2.578 20 0 GFADRO CC(C)(O)C[NH+]1CCN(C(=O)N[C@H]2CCSc3ccc(Cl)cc32)CC1 ZINC000177422826 655276272 /nfs/dbraw/zinc/27/62/72/655276272.db2.gz QIXYVHRAGHSJNQ-HNNXBMFYSA-N 1 0 383.945 2.975 20 0 GFADRO COc1cc(C[N@H+](C)CCCCO)cc(I)c1OC ZINC000276594278 655280510 /nfs/dbraw/zinc/28/05/10/655280510.db2.gz DPARVWPSZCZEKH-UHFFFAOYSA-N 1 0 379.238 2.513 20 0 GFADRO C[NH+](C)[C@H]1CCCN(C(=O)C(=O)Nc2ccc(C(F)(F)F)cc2Cl)C1 ZINC000177547439 655280912 /nfs/dbraw/zinc/28/09/12/655280912.db2.gz USTCEUOXLKKXDD-NSHDSACASA-N 1 0 377.794 2.850 20 0 GFADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)Nc2ccc(Br)cc2)CC1 ZINC000118786677 655282263 /nfs/dbraw/zinc/28/22/63/655282263.db2.gz BSKISJWGHFPTGY-AWEZNQCLSA-N 1 0 383.334 2.844 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)C(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000118895964 655283118 /nfs/dbraw/zinc/28/31/18/655283118.db2.gz CANBIUBNHBHFJY-ZDUSSCGKSA-N 1 0 396.329 2.934 20 0 GFADRO O=C(CSc1cccc(Br)c1)N1CC[NH+](C2CCOCC2)CC1 ZINC000118983021 655285754 /nfs/dbraw/zinc/28/57/54/655285754.db2.gz MYGCZJCNMCJIEI-UHFFFAOYSA-N 1 0 399.354 2.864 20 0 GFADRO C[C@H](Cc1ccc(Br)cc1)[NH2+]C[C@H]1CCn2ncc(C(N)=O)c2C1 ZINC000276750640 655286057 /nfs/dbraw/zinc/28/60/57/655286057.db2.gz KXFLDXQQRMOAJK-OCCSQVGLSA-N 1 0 391.313 2.528 20 0 GFADRO CS[C@@H](CO)[C@@H](C)NC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000119070640 655288802 /nfs/dbraw/zinc/28/88/02/655288802.db2.gz JNFREGTWOZMENK-DYVFJYSZSA-N 1 0 385.961 2.716 20 0 GFADRO CO[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1ccccc1I ZINC000276926893 655293315 /nfs/dbraw/zinc/29/33/15/655293315.db2.gz IBECBPPPHNAYAB-ZIAGYGMSSA-N 1 0 388.249 2.777 20 0 GFADRO O=C(N1CC[NH+](C[C@H]2CCOC2)CC1)C1(c2cccc(Br)c2)CC1 ZINC000178081520 655297086 /nfs/dbraw/zinc/29/70/86/655297086.db2.gz MYXRSHZKSSKFIB-OAHLLOKOSA-N 1 0 393.325 2.661 20 0 GFADRO Cc1nc2c(s1)[C@H]([NH2+]CC1CCN(S(=O)(=O)C(F)(F)F)CC1)CCC2 ZINC000178109179 655297857 /nfs/dbraw/zinc/29/78/57/655297857.db2.gz DAPJSTRUDLQJAL-GFCCVEGCSA-N 1 0 397.488 2.980 20 0 GFADRO Cn1cc(N2CCC[C@H]([N@H+](C)CCc3ccc(Br)cc3)C2=O)cn1 ZINC000119367481 655301011 /nfs/dbraw/zinc/30/10/11/655301011.db2.gz ZMPVDNMSOZXGOK-KRWDZBQOSA-N 1 0 391.313 2.853 20 0 GFADRO C[NH+](C)C1(C(=O)Nc2ncn(Cc3cccc(Br)c3)n2)CCC1 ZINC000119373826 655301443 /nfs/dbraw/zinc/30/14/43/655301443.db2.gz QNXZYTLJBNZECU-UHFFFAOYSA-N 1 0 378.274 2.512 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)C1([NH+](C)C)CCC1 ZINC000119378255 655301492 /nfs/dbraw/zinc/30/14/92/655301492.db2.gz OQOIKGNJTLQEMP-UHFFFAOYSA-N 1 0 382.302 2.687 20 0 GFADRO C[NH+](C)[C@@H]1CCCN(C(=O)Cc2cc3c(cc2Br)OCCO3)CC1 ZINC000277100754 655303508 /nfs/dbraw/zinc/30/35/08/655303508.db2.gz CLBOBIDOLYDESZ-CQSZACIVSA-N 1 0 397.313 2.706 20 0 GFADRO C[C@@H]1C[N@@H+](CCCNC(=O)c2ccc(C(F)(F)F)nc2Cl)C[C@H](C)O1 ZINC000178536011 655304341 /nfs/dbraw/zinc/30/43/41/655304341.db2.gz CPYQJTVWBYFCER-PHIMTYICSA-N 1 0 379.810 2.983 20 0 GFADRO CC(=O)Nc1cc(F)c(S(=O)(=O)N2CCC[C@H]([NH+](C)C)CC2)cc1Cl ZINC000277123428 655304489 /nfs/dbraw/zinc/30/44/89/655304489.db2.gz YVMDJNYRABHEBO-LBPRGKRZSA-N 1 0 391.896 2.542 20 0 GFADRO O=C(C1CC[NH+](C[C@H](O)c2ccccc2Br)CC1)N1CCCC1 ZINC000178569155 655304898 /nfs/dbraw/zinc/30/48/98/655304898.db2.gz HLCHREMSWAAJRB-KRWDZBQOSA-N 1 0 381.314 2.817 20 0 GFADRO CN(Cc1ccccc1Br)C(=O)CCNC(=[NH2+])Nc1ccccn1 ZINC000178572177 655305035 /nfs/dbraw/zinc/30/50/35/655305035.db2.gz VTCZIXSKWWCUAP-UHFFFAOYSA-N 1 0 390.285 2.619 20 0 GFADRO CCOC(=O)N1CCC(NC(=[NH2+])NCCc2ccc(Br)cc2)CC1 ZINC000178562970 655305039 /nfs/dbraw/zinc/30/50/39/655305039.db2.gz MTPGPQACOXXPDY-UHFFFAOYSA-N 1 0 397.317 2.517 20 0 GFADRO CC(=O)NC1CCC([NH2+]C[C@@H](CO)Cc2ccccc2Br)CC1 ZINC000277169749 655306166 /nfs/dbraw/zinc/30/61/66/655306166.db2.gz RUEQFIHDUQDQQH-OOHWJJMZSA-N 1 0 383.330 2.637 20 0 GFADRO CC(C)(C)OC(=O)NCCC[NH2+]CCS(=O)(=O)c1ccc(Cl)cc1 ZINC000278868399 655326290 /nfs/dbraw/zinc/32/62/90/655326290.db2.gz MOQXRTRACOFZLH-UHFFFAOYSA-N 1 0 376.906 2.618 20 0 GFADRO NC(=O)[C@H]1CCC[C@@H]([NH2+]Cc2nc(-c3cccc(Br)c3)c[nH]2)C1 ZINC000120101083 655327752 /nfs/dbraw/zinc/32/77/52/655327752.db2.gz IVWXQURKDCWXSA-GXTWGEPZSA-N 1 0 377.286 2.973 20 0 GFADRO CC[C@@H]([NH2+]Cc1cccc(CO)c1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000280756914 655330274 /nfs/dbraw/zinc/33/02/74/655330274.db2.gz FEJYJZMLYBUBFJ-QGZVFWFLSA-N 1 0 382.913 2.981 20 0 GFADRO CSC(C)(C)C[NH2+][C@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000280756515 655330304 /nfs/dbraw/zinc/33/03/04/655330304.db2.gz QJFFXZHWKARNIC-SECBINFHSA-N 1 0 381.361 2.889 20 0 GFADRO C[N@H+](CCCNC(=O)CCn1cc(Br)ccc1=O)C1CCCCC1 ZINC000120547228 655338669 /nfs/dbraw/zinc/33/86/69/655338669.db2.gz UECKQKCOMGHJOY-UHFFFAOYSA-N 1 0 398.345 2.772 20 0 GFADRO O=C(NCC[NH2+]Cc1ccc(Cl)c(Br)c1)C1N=CC=CC1=O ZINC000182207760 655342979 /nfs/dbraw/zinc/34/29/79/655342979.db2.gz WNFHTBLOEWTREX-PFONDFGASA-N 1 0 384.661 2.719 20 0 GFADRO CCC[NH+]1CCC(CNS(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2Cl)CC1 ZINC000182533671 655345131 /nfs/dbraw/zinc/34/51/31/655345131.db2.gz ZMFVSUZYAGMBFD-UHFFFAOYSA-N 1 0 389.905 2.957 20 0 GFADRO CC(C)[C@@](C)([NH2+]CC(=O)Nc1ccc(Br)cc1Cl)C(N)=O ZINC000289407504 655348441 /nfs/dbraw/zinc/34/84/41/655348441.db2.gz SOWXNULBZRDIKN-CQSZACIVSA-N 1 0 376.682 2.531 20 0 GFADRO CCS(=O)(=O)C[C@@H](C)[NH2+][C@H](CNC(=O)OC(C)(C)C)C1CCCCC1 ZINC000182951205 655348478 /nfs/dbraw/zinc/34/84/78/655348478.db2.gz SOMRSUAQUBNLBK-GDBMZVCRSA-N 1 0 376.563 2.873 20 0 GFADRO O=[N+]([O-])c1ccc(C[NH2+]CC2CCN(S(=O)(=O)C(F)F)CC2)c(Cl)c1 ZINC000183742580 655353193 /nfs/dbraw/zinc/35/31/93/655353193.db2.gz CUPFSIKSDPENRD-UHFFFAOYSA-N 1 0 397.831 2.602 20 0 GFADRO CC[NH+]1CCC(CCNS(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2Cl)CC1 ZINC000183748504 655353374 /nfs/dbraw/zinc/35/33/74/655353374.db2.gz PXHRZVNPHZBUNK-UHFFFAOYSA-N 1 0 389.905 2.957 20 0 GFADRO CCS(=O)(=O)c1ccc(Cl)c(C(=O)N(CC[NH3+])Cc2ccccc2)c1 ZINC000184209174 655355717 /nfs/dbraw/zinc/35/57/17/655355717.db2.gz JUFSOORSAQHDTP-UHFFFAOYSA-N 1 0 380.897 2.735 20 0 GFADRO C[NH+](C)CC1(CNC(=O)CN2C(=S)N=NC2c2cccs2)CCCC1 ZINC000185085207 655362247 /nfs/dbraw/zinc/36/22/47/655362247.db2.gz GBQSBIREUNUIOA-UHFFFAOYSA-N 1 0 379.555 2.534 20 0 GFADRO CC[C@@H](Cc1ccccc1Br)[N@H+](C)CCCOC(=O)NC(N)=O ZINC000185928756 655366973 /nfs/dbraw/zinc/36/69/73/655366973.db2.gz ICGKNDSAQNOEQU-ZDUSSCGKSA-N 1 0 386.290 2.897 20 0 GFADRO COCCOC1(C[NH2+][C@@H](C)c2cc(Br)ncc2F)CCOCC1 ZINC000296300299 655368594 /nfs/dbraw/zinc/36/85/94/655368594.db2.gz FXBYJNWFQCCMPR-LBPRGKRZSA-N 1 0 391.281 2.846 20 0 GFADRO C[N@@H+]1CC[C@]2(CCN(Cn3nc4ccc(Br)cn4c3=S)C2)C1 ZINC000840076554 661129612 /nfs/dbraw/zinc/12/96/12/661129612.db2.gz PBABGMVFDYXZKO-HNNXBMFYSA-N 1 0 382.331 2.613 20 0 GFADRO O=C(CNC(=O)c1cccs1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000299432647 655375950 /nfs/dbraw/zinc/37/59/50/655375950.db2.gz QASRJTCUBYVXNM-UHFFFAOYSA-N 1 0 375.519 2.665 20 0 GFADRO C[N@@H+]1CCC[C@@]2(CCN(Cn3nnn(-c4ccc(Cl)cc4)c3=S)C2)C1 ZINC000840085831 661130583 /nfs/dbraw/zinc/13/05/83/661130583.db2.gz HXCCDVUJQBFBMH-QGZVFWFLSA-N 1 0 378.933 2.827 20 0 GFADRO CCC[C@@H]1CN(C(=O)Nc2cccc(Br)n2)CC[N@@H+]1CCOC ZINC000188641213 655381184 /nfs/dbraw/zinc/38/11/84/655381184.db2.gz CKTJAQLLJYAPQY-CYBMUJFWSA-N 1 0 385.306 2.809 20 0 GFADRO FC(F)(F)c1nn(CN2CCC[C@@H](C[NH+]3CCOCC3)C2)c(=S)s1 ZINC000188669790 655381443 /nfs/dbraw/zinc/38/14/43/655381443.db2.gz BPWNHFHCZGWNDS-NSHDSACASA-N 1 0 382.477 2.695 20 0 GFADRO CCOCCOCC[N@H+](C)Cn1ccc(=O)c2cccc(Br)c21 ZINC000189231881 655385614 /nfs/dbraw/zinc/38/56/14/655385614.db2.gz OQBKCQUDFIUXFQ-UHFFFAOYSA-N 1 0 383.286 2.706 20 0 GFADRO CC(C)C[C@@H]1C(=O)NCC[N@H+]1Cn1ccc(=O)c2cccc(Br)c21 ZINC000189765943 655388141 /nfs/dbraw/zinc/38/81/41/655388141.db2.gz AHMQGSPHCNHNKY-OAHLLOKOSA-N 1 0 392.297 2.568 20 0 GFADRO Cc1c(C(=O)N2CC[C@]3(CCC[NH2+]3)C2)cnn1-c1cccc(Br)c1 ZINC000333874081 655388220 /nfs/dbraw/zinc/38/82/20/655388220.db2.gz VBNBWXYUUVRFEO-GOSISDBHSA-N 1 0 389.297 2.911 20 0 GFADRO CC[N@@H+]1CCCC[C@H]1CN1C(=O)N[C@@H](c2ccc(Br)cc2)C1=O ZINC000349380544 655389793 /nfs/dbraw/zinc/38/97/93/655389793.db2.gz WZTWWRBRIVNYCR-GJZGRUSLSA-N 1 0 380.286 2.916 20 0 GFADRO O=C(CCC[S@](=O)c1ccc(Br)cc1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000365243409 655392614 /nfs/dbraw/zinc/39/26/14/655392614.db2.gz HLVGQJHGGZKSPB-LZDDTZTRSA-N 1 0 399.354 2.547 20 0 GFADRO O=C(CCC[S@](=O)c1ccc(Br)cc1)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000365243408 655392693 /nfs/dbraw/zinc/39/26/93/655392693.db2.gz HLVGQJHGGZKSPB-LTJFPGKXSA-N 1 0 399.354 2.547 20 0 GFADRO O=S1(=O)CC[C@H]([NH2+]C2CCN(CCc3cccc(Cl)c3Cl)CC2)C1 ZINC000365310523 655393123 /nfs/dbraw/zinc/39/31/23/655393123.db2.gz VIGADKVFLQKZNF-HNNXBMFYSA-N 1 0 391.364 2.777 20 0 GFADRO O=C(CN1CC[NH+]([C@@H]2CCSC2)CC1)Nc1ccccc1Br ZINC000365889454 655395770 /nfs/dbraw/zinc/39/57/70/655395770.db2.gz CGLYIGAODZHEHV-CYBMUJFWSA-N 1 0 384.343 2.511 20 0 GFADRO O=C(NC[C@@H]1CCC[NH2+]C1)N[C@H](CO)c1ccc(Cl)cc1C(F)(F)F ZINC000418326355 655405450 /nfs/dbraw/zinc/40/54/50/655405450.db2.gz XSVOCBCLUZFONE-QMTHXVAHSA-N 1 0 379.810 2.691 20 0 GFADRO O=C(NCC[C@H]1CCC[NH2+]C1)N[C@@H](CCO)c1ccccc1Br ZINC000418337156 655405636 /nfs/dbraw/zinc/40/56/36/655405636.db2.gz BFXQOABRHIMZND-CJNGLKHVSA-N 1 0 384.318 2.562 20 0 GFADRO O=S(=O)(c1ccc(Cl)c(Br)c1)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000420477965 655407526 /nfs/dbraw/zinc/40/75/26/655407526.db2.gz VMSJEXXTLZHLMR-ZDUSSCGKSA-N 1 0 379.707 2.619 20 0 GFADRO Cc1csc(C(=O)N2CC[C@@]3(CCC[NH2+]3)C2)c1I ZINC000424021033 655407923 /nfs/dbraw/zinc/40/79/23/655407923.db2.gz ALVQHVFYTXBIKE-ZDUSSCGKSA-N 1 0 376.263 2.629 20 0 GFADRO CC[NH+](CC)[C@H]1CCN(S(=O)(=O)c2ccc(C)c(Br)c2)C1 ZINC000462655063 655413499 /nfs/dbraw/zinc/41/34/99/655413499.db2.gz IEKFPGPHYVKABU-ZDUSSCGKSA-N 1 0 375.332 2.862 20 0 GFADRO CS(=O)(=O)N[C@H]1CCCC[C@H]1C[NH2+]Cc1c(F)cccc1Br ZINC000512909044 655418173 /nfs/dbraw/zinc/41/81/73/655418173.db2.gz QNKKOTDFIAVCKY-NHYWBVRUSA-N 1 0 393.322 2.786 20 0 GFADRO CC(C)[C@@H](C[NH+](C)C)NC(=O)c1ccc(F)cc1I ZINC000223503046 655422328 /nfs/dbraw/zinc/42/23/28/655422328.db2.gz OBFACMJFGVBCNA-CYBMUJFWSA-N 1 0 378.229 2.746 20 0 GFADRO CC(C)(C)OC(=O)N1CCOC[C@@H]1C[NH2+]Cc1cncc(Br)c1 ZINC000227706053 655422901 /nfs/dbraw/zinc/42/29/01/655422901.db2.gz QWCZKENXOLGALC-AWEZNQCLSA-N 1 0 386.290 2.570 20 0 GFADRO CCC[C@@H]1C[NH2+]CCN1C(=O)c1ncc(Br)cc1Br ZINC000566067659 655424641 /nfs/dbraw/zinc/42/46/41/655424641.db2.gz UEQBTSCJGQGSAB-SNVBAGLBSA-N 1 0 391.107 2.821 20 0 GFADRO CCC[C@H]1C[NH2+]CCN1C(=O)c1ncc(Br)cc1Br ZINC000566067658 655424692 /nfs/dbraw/zinc/42/46/92/655424692.db2.gz UEQBTSCJGQGSAB-JTQLQIEISA-N 1 0 391.107 2.821 20 0 GFADRO CC(C)(C[NH2+]Cc1cc(Br)c2c(c1)OCCCO2)N1CCOCC1 ZINC000236743630 655424889 /nfs/dbraw/zinc/42/48/89/655424889.db2.gz MNSQMXZPTKTXFU-UHFFFAOYSA-N 1 0 399.329 2.811 20 0 GFADRO C[C@H]1C[NH+](C(C)(C)CNc2ccc(I)cn2)C[C@H](C)O1 ZINC000567203761 655425172 /nfs/dbraw/zinc/42/51/72/655425172.db2.gz FBIBDLKYANTZPE-RYUDHWBXSA-N 1 0 389.281 2.986 20 0 GFADRO C#CCOc1ccc(Br)cc1C[NH2+]C[C@H]1CCCN1CCOC ZINC000237087311 655425627 /nfs/dbraw/zinc/42/56/27/655425627.db2.gz VQPZQMWQKQYZDC-QGZVFWFLSA-N 1 0 381.314 2.662 20 0 GFADRO CN(C(=O)[C@H]1CCN(c2cccc(Br)c2)C1=O)C1CCC([NH3+])CC1 ZINC000237228546 655425965 /nfs/dbraw/zinc/42/59/65/655425965.db2.gz ONPPPQLAZSWJIB-ZBCRRDGASA-N 1 0 394.313 2.530 20 0 GFADRO COC(=O)c1cc(S(=O)(=O)N[C@H]2CCCC[C@H]2C[NH3+])c(Cl)cc1Cl ZINC000237207790 655425975 /nfs/dbraw/zinc/42/59/75/655425975.db2.gz GDENUOKXJPRDCJ-ZANVPECISA-N 1 0 395.308 2.576 20 0 GFADRO O=C(CCc1ncc(-c2ccc(Cl)cc2Cl)o1)NC[C@H]1C[NH2+]CCO1 ZINC000574200932 655426271 /nfs/dbraw/zinc/42/62/71/655426271.db2.gz BXTRCRZXDMPBTO-GFCCVEGCSA-N 1 0 384.263 2.686 20 0 GFADRO O=C(N[C@H]1CCC[NH2+]C1)c1cc(I)cc(C(F)(F)F)c1 ZINC000237827324 655426672 /nfs/dbraw/zinc/42/66/72/655426672.db2.gz SWMYFKNFLMXNJD-NSHDSACASA-N 1 0 398.166 2.792 20 0 GFADRO O=C(NCC1=CC[NH2+]CC1)N1CCC[C@@H](Nc2cccc(Br)c2)C1 ZINC000574261803 655427436 /nfs/dbraw/zinc/42/74/36/655427436.db2.gz YGXRLSLQGMXCPX-QGZVFWFLSA-N 1 0 393.329 2.955 20 0 GFADRO CN(C(=O)[C@@H]1CSCCS1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000245691848 655428203 /nfs/dbraw/zinc/42/82/03/655428203.db2.gz JUYZYQHUAGLDNN-KURKYZTESA-N 1 0 385.643 2.631 20 0 GFADRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)COc1ccc(C=O)cc1Br ZINC000246200814 655429524 /nfs/dbraw/zinc/42/95/24/655429524.db2.gz NPVBCRBRQXUAHL-KBPBESRZSA-N 1 0 397.313 2.877 20 0 GFADRO C[N@@H+]1CCC[C@@H](CNC(=O)C2(c3ccc(I)cc3)CC2)C1 ZINC000574782062 655430618 /nfs/dbraw/zinc/43/06/18/655430618.db2.gz BYGWPNJDASKEHJ-ZDUSSCGKSA-N 1 0 398.288 2.781 20 0 GFADRO Cc1nc(Cc2nn(CN3CC[C@@H]4[C@@H](CCC[N@H+]4C)C3)c(=S)o2)cs1 ZINC000246974264 655430881 /nfs/dbraw/zinc/43/08/81/655430881.db2.gz JHJCJXSPWFBJLA-DZGCQCFKSA-N 1 0 379.555 2.935 20 0 GFADRO COc1ccc([C@H](C)NCc2nnc(C3CC[NH2+]CC3)[nH]2)cc1Br ZINC000574802783 655431089 /nfs/dbraw/zinc/43/10/89/655431089.db2.gz GGGYJOXVDLTTGU-NSHDSACASA-N 1 0 394.317 2.894 20 0 GFADRO O[C@@H](C[NH2+]CCOc1ccc(I)cc1)CC(F)(F)F ZINC000574805719 655431101 /nfs/dbraw/zinc/43/11/01/655431101.db2.gz IMDYOUWCIXNNAB-SNVBAGLBSA-N 1 0 389.155 2.573 20 0 GFADRO C[C@]1(F)C[NH2+]CCN(Cc2nc(-c3cc(Br)cs3)no2)C1 ZINC000574811710 655431150 /nfs/dbraw/zinc/43/11/50/655431150.db2.gz OYSMYRUPKADJLH-ZDUSSCGKSA-N 1 0 375.267 2.694 20 0 GFADRO CO[C@@H](CS(=O)(=O)Nc1ccc(C[NH+]2CCSCC2)cc1C)C1CC1 ZINC000574811564 655431200 /nfs/dbraw/zinc/43/12/00/655431200.db2.gz ZRFYCPXWPSIRHM-SFHVURJKSA-N 1 0 384.567 2.711 20 0 GFADRO C[C@H](CNC(=O)c1sccc1S(=O)(=O)C(F)F)N1CCC[C@H](C)C1 ZINC000247206431 655431277 /nfs/dbraw/zinc/43/12/77/655431277.db2.gz RGXKKRXBZDPXER-WDEREUQCSA-N 1 0 380.482 2.595 20 0 GFADRO C[N@@H+]1CCC[C@@H](CNC(=O)N2CCO[C@@H](c3ccccc3Br)C2)C1 ZINC000247188940 655431320 /nfs/dbraw/zinc/43/13/20/655431320.db2.gz QDHCHZIMCOOGKG-WMLDXEAASA-N 1 0 396.329 2.874 20 0 GFADRO CC(C)([NH3+])c1nocc1C(=O)N1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000574822540 655431463 /nfs/dbraw/zinc/43/14/63/655431463.db2.gz KCDKLCZHYFZXNK-CQSZACIVSA-N 1 0 394.269 2.845 20 0 GFADRO CSCC[C@H]1NC(=S)N(C[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)C1=O ZINC000249119691 655433912 /nfs/dbraw/zinc/43/39/12/655433912.db2.gz GNOSZOKBWCYUES-VQIMIIECSA-N 1 0 377.579 2.880 20 0 GFADRO C[C@H]1CN(S(=O)(=O)Cc2cc(Cl)ccc2Br)[C@@H](C)C[NH2+]1 ZINC000575058857 655434864 /nfs/dbraw/zinc/43/48/64/655434864.db2.gz ZSMVSWUNXMXKLU-UWVGGRQHSA-N 1 0 381.723 2.615 20 0 GFADRO C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)c1ccc(I)c(F)c1 ZINC000575116126 655435942 /nfs/dbraw/zinc/43/59/42/655435942.db2.gz KDHKUXIFRUAPBJ-KKFJDGPESA-N 1 0 376.213 2.547 20 0 GFADRO O=S(=O)(/C=C\c1cccc(Br)c1)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000254952551 655435951 /nfs/dbraw/zinc/43/59/51/655435951.db2.gz NHLDKUNRCURLDB-IUCKJTJTSA-N 1 0 385.327 2.824 20 0 GFADRO O=C(COc1ccc(Cl)c(Cl)c1)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000575795972 655437203 /nfs/dbraw/zinc/43/72/03/655437203.db2.gz UULKUVLGPBVRLT-UHFFFAOYSA-N 1 0 386.323 2.705 20 0 GFADRO C[NH+](C)CC(C)(C)CNC(=O)/C=C\c1ccc(I)o1 ZINC000255711041 655440217 /nfs/dbraw/zinc/44/02/17/655440217.db2.gz IUYZGRJDFNJSSC-VURMDHGXSA-N 1 0 376.238 2.601 20 0 GFADRO CC(=O)NCc1ccc(C(=O)N2CC[NH2+]C[C@@H]2c2cccc(Cl)c2)s1 ZINC000261711319 655441879 /nfs/dbraw/zinc/44/18/79/655441879.db2.gz BWGBTCPDAAAXMR-MRXNPFEDSA-N 1 0 377.897 2.824 20 0 GFADRO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)N1C[C@H](C[NH3+])C[C@H]1C ZINC000261789775 655442359 /nfs/dbraw/zinc/44/23/59/655442359.db2.gz KTPOSKNMJGLKJD-KOLCDFICSA-N 1 0 379.254 2.673 20 0 GFADRO CN(C(=O)c1cc(F)c(F)cc1I)C1(C[NH3+])CCC1 ZINC000576148260 655444389 /nfs/dbraw/zinc/44/43/89/655444389.db2.gz SRDNPGSULMIWQV-UHFFFAOYSA-N 1 0 380.176 2.523 20 0 GFADRO Cc1c(Br)ccnc1NC(=O)N(C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000576373102 655446173 /nfs/dbraw/zinc/44/61/73/655446173.db2.gz CIJCKNKXSKTHCS-GFCCVEGCSA-N 1 0 399.333 2.709 20 0 GFADRO COc1cc(C)c(Br)cc1S(=O)(=O)N1CCCC[C@H]1[C@H](C)[NH3+] ZINC000262764859 655446962 /nfs/dbraw/zinc/44/69/62/655446962.db2.gz TXQUJKMHSFXUKL-AAEUAGOBSA-N 1 0 391.331 2.657 20 0 GFADRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N[C@H](C)c2ncc(Br)cn2)C1 ZINC000576709057 655451278 /nfs/dbraw/zinc/45/12/78/655451278.db2.gz MAGWGTSBJGTLJV-ZIAGYGMSSA-N 1 0 398.349 2.967 20 0 GFADRO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000576870441 655453480 /nfs/dbraw/zinc/45/34/80/655453480.db2.gz XFDWFFKHHPRXLN-HOCLYGCPSA-N 1 0 384.307 2.666 20 0 GFADRO CC[NH+]1C[C@@H](C)N(C(=O)c2ccc(I)c(O)c2)[C@H](C)C1 ZINC000576957731 655455219 /nfs/dbraw/zinc/45/52/19/655455219.db2.gz RLPYJONWEGDBSZ-GHMZBOCLSA-N 1 0 388.249 2.552 20 0 GFADRO O=S(=O)(NCC1([NH+]2CCCC2)CCOCC1)c1cc(Cl)sc1Cl ZINC000264221908 655459078 /nfs/dbraw/zinc/45/90/78/655459078.db2.gz WBMAWQFFYAKXMW-UHFFFAOYSA-N 1 0 399.365 2.978 20 0 GFADRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1ccccc1-n1cc(Br)cn1 ZINC000577458377 655459980 /nfs/dbraw/zinc/45/99/80/655459980.db2.gz ICHCWQMVLJLWTK-BLLLJJGKSA-N 1 0 389.297 2.847 20 0 GFADRO COc1cc(OCC(=O)NC2CC[NH+](C3CC3)CC2)ccc1Br ZINC000577509694 655461324 /nfs/dbraw/zinc/46/13/24/655461324.db2.gz TYYFRZVWWHODIY-UHFFFAOYSA-N 1 0 383.286 2.580 20 0 GFADRO CCn1c(=O)c2c(nc1SC[C@@H](O)C[N@H+](C)CC)sc1c2CCCC1 ZINC000577650567 655463826 /nfs/dbraw/zinc/46/38/26/655463826.db2.gz YMEGWQWRFIEUGR-LBPRGKRZSA-N 1 0 381.567 2.761 20 0 GFADRO COCC1(CNC(=O)c2c[nH]c3cccc(Br)c32)CC[NH2+]CC1 ZINC000577740820 655466104 /nfs/dbraw/zinc/46/61/04/655466104.db2.gz VRSCOYOOACTURT-UHFFFAOYSA-N 1 0 380.286 2.676 20 0 GFADRO Cc1cc(CS(=O)(=O)NC[C@@H](c2cccs2)[NH+]2CCC(C)CC2)no1 ZINC000264624360 655467324 /nfs/dbraw/zinc/46/73/24/655467324.db2.gz PDORMJYFLVZHFJ-INIZCTEOSA-N 1 0 383.539 2.937 20 0 GFADRO C[C@H](C[NH2+]C[C@@H](c1ccccc1)N1CCc2sccc2C1)S(C)(=O)=O ZINC000577818767 655467826 /nfs/dbraw/zinc/46/78/26/655467826.db2.gz YQNNJCSQMHWBTJ-QAPCUYQASA-N 1 0 378.563 2.870 20 0 GFADRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N1CCO[C@@H](c2cccc(Br)c2)C1 ZINC000577942492 655469798 /nfs/dbraw/zinc/46/97/98/655469798.db2.gz JSZJBBBWNAIZMK-UHOFOFEASA-N 1 0 382.302 2.530 20 0 GFADRO OC[C@H](C[NH2+]C[C@H](O)COc1cccc(Br)c1)c1ccc(F)cc1 ZINC000578013118 655471222 /nfs/dbraw/zinc/47/12/22/655471222.db2.gz CVLPCCQWEXWJTR-YOEHRIQHSA-N 1 0 398.272 2.694 20 0 GFADRO O=S(=O)(C(F)F)N1CCC(C[NH2+]Cc2ccc(OC(F)F)cc2)CC1 ZINC000264816487 655471254 /nfs/dbraw/zinc/47/12/54/655471254.db2.gz LSILYFUPTMVNJC-UHFFFAOYSA-N 1 0 384.395 2.642 20 0 GFADRO C[C@H](Oc1ccc(Br)cc1)C(=O)N1CCNC[C@H]1c1ccncc1 ZINC000578126794 655473109 /nfs/dbraw/zinc/47/31/09/655473109.db2.gz KQBDKNZFPOUGHH-GUYCJALGSA-N 1 0 390.281 2.785 20 0 GFADRO C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)N1CC[NH+](C2CCC2)CC1 ZINC000264995219 655475568 /nfs/dbraw/zinc/47/55/68/655475568.db2.gz NXPMHXIISOTJAN-HNNXBMFYSA-N 1 0 394.357 2.966 20 0 GFADRO CSc1ccc(OC[C@@H](O)C[NH+]2CCC([C@@H](O)C(F)(F)F)CC2)cc1 ZINC000578441715 655479172 /nfs/dbraw/zinc/47/91/72/655479172.db2.gz IBXUUUNYOWKHHD-XJKSGUPXSA-N 1 0 379.444 2.783 20 0 GFADRO CN1CC[NH+](CC2CCN(C(=O)Nc3nc4ccsc4s3)CC2)CC1 ZINC000265411674 655483015 /nfs/dbraw/zinc/48/30/15/655483015.db2.gz URTPRDJVCDNUMB-UHFFFAOYSA-N 1 0 379.555 2.849 20 0 GFADRO CCO[C@H]1C[C@]([NH3+])(C(=O)NCc2cc(Br)ccc2OC)C1(C)C ZINC000578646187 655483829 /nfs/dbraw/zinc/48/38/29/655483829.db2.gz RMSPUXITMXSXPQ-YOEHRIQHSA-N 1 0 385.302 2.606 20 0 GFADRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N(C)Cc1cc(Cl)cc(Cl)c1 ZINC000578678018 655484571 /nfs/dbraw/zinc/48/45/71/655484571.db2.gz YKGGYVQZRCCVDM-ZBEGNZNMSA-N 1 0 384.307 2.551 20 0 GFADRO CCC(CC)(CO)C[NH2+]C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000578892295 655488672 /nfs/dbraw/zinc/48/86/72/655488672.db2.gz PQTDVYYFLOXSRF-AWEZNQCLSA-N 1 0 378.282 2.716 20 0 GFADRO O=C(CCc1nc2cc(Cl)ccc2s1)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000578956220 655490100 /nfs/dbraw/zinc/49/01/00/655490100.db2.gz XJODFUFOEQVOPH-CQSZACIVSA-N 1 0 381.929 2.845 20 0 GFADRO O=C(NCCNc1ncc(Cl)cc1Cl)[C@@]1(c2ccccc2)CC[NH2+]C1 ZINC000579001090 655491366 /nfs/dbraw/zinc/49/13/66/655491366.db2.gz FJWRNMWMVSZVPO-SFHVURJKSA-N 1 0 379.291 2.848 20 0 GFADRO CNC(=O)c1cccc(CC[NH2+]Cc2cn3ccc(Br)cc3n2)c1 ZINC000579043387 655492484 /nfs/dbraw/zinc/49/24/84/655492484.db2.gz KXTJOJCRGBFYEW-UHFFFAOYSA-N 1 0 387.281 2.789 20 0 GFADRO COc1ccc(NC(=O)C(=O)Nc2ccc3nccn3c2)cc1Br ZINC000579074039 655493018 /nfs/dbraw/zinc/49/30/18/655493018.db2.gz ADOCSYDGKXXZND-UHFFFAOYSA-N 1 0 389.209 2.683 20 0 GFADRO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2cc(S(C)(=O)=O)ccc2Cl)C1 ZINC000265962800 655494140 /nfs/dbraw/zinc/49/41/40/655494140.db2.gz YZKNZSFKLRELCT-ZDUSSCGKSA-N 1 0 386.945 2.984 20 0 GFADRO Cc1nn(-c2ccc(C(=O)NCC3([NH3+])CCC3)cc2)c(C)c1Br ZINC000579117953 655494328 /nfs/dbraw/zinc/49/43/28/655494328.db2.gz YRRBZYYTTGWMKM-UHFFFAOYSA-N 1 0 377.286 2.863 20 0 GFADRO C[C@@H]1CC[NH2+][C@@H](C)[C@H]1NC(=O)c1cnc(Sc2nccn2C)c(Cl)c1 ZINC000579359458 655498256 /nfs/dbraw/zinc/49/82/56/655498256.db2.gz NJUIWCQVHHUTIS-SUNKGSAMSA-N 1 0 379.917 2.736 20 0 GFADRO CC[NH+](CC)CCN(C(=O)[C@H](C)n1cccn1)c1ccc(Br)cn1 ZINC000579360841 655498409 /nfs/dbraw/zinc/49/84/09/655498409.db2.gz JDNBQTBSQCNQIK-AWEZNQCLSA-N 1 0 394.317 2.977 20 0 GFADRO COc1cc(C(=O)NC2CC[NH+](C3CC3)CC2)cc(Br)c1OC ZINC000579450348 655499974 /nfs/dbraw/zinc/49/99/74/655499974.db2.gz ZYVDCQAYHYQTLJ-UHFFFAOYSA-N 1 0 383.286 2.823 20 0 GFADRO CC[C@H](Cc1ccccc1Br)C(=O)NC[C@@]1(O)C[NH+]2CCC1CC2 ZINC000579516605 655500760 /nfs/dbraw/zinc/50/07/60/655500760.db2.gz TZTVLMNMAZYDNF-AUUYWEPGSA-N 1 0 395.341 2.591 20 0 GFADRO O=S(=O)(NCCC[C@@H]1CCC[NH2+]1)c1ccc(Br)cc1Cl ZINC000579591931 655501874 /nfs/dbraw/zinc/50/18/74/655501874.db2.gz UYXKFWYFVOKIEP-NSHDSACASA-N 1 0 381.723 2.913 20 0 GFADRO O[C@@H](C[NH2+]C[C@H](O)COc1ccccc1Br)Cc1ccc(F)cc1 ZINC000579712671 655502928 /nfs/dbraw/zinc/50/29/28/655502928.db2.gz WXNLWKPPPYHILG-CVEARBPZSA-N 1 0 398.272 2.521 20 0 GFADRO C[C@H]1CC[NH2+][C@@H](C(=O)N2CCN(C(=O)c3cc4sccc4s3)CC2)C1 ZINC000579822466 655504334 /nfs/dbraw/zinc/50/43/34/655504334.db2.gz RTLBBFSWUJGVMJ-QWHCGFSZSA-N 1 0 377.535 2.635 20 0 GFADRO C[C@@H](CNC(=O)N(C)C[C@H](O)c1cccc(Br)c1)[NH+]1CCCCC1 ZINC000840271157 661151162 /nfs/dbraw/zinc/15/11/62/661151162.db2.gz VPUVXTQLDLEWOM-YOEHRIQHSA-N 1 0 398.345 2.998 20 0 GFADRO C[C@@H](CNC(=O)C1(c2cccc(Br)c2)CC(=O)C1)[NH+]1CCCC1 ZINC000580010090 655506655 /nfs/dbraw/zinc/50/66/55/655506655.db2.gz WNJCHZATUVPIJE-ZDUSSCGKSA-N 1 0 379.298 2.650 20 0 GFADRO Cc1c(C(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)nnn1-c1cccc(Br)c1 ZINC000580182463 655509452 /nfs/dbraw/zinc/50/94/52/655509452.db2.gz YKMLRHFEJADWIJ-TZMCWYRMSA-N 1 0 392.301 2.586 20 0 GFADRO Cc1cc(F)c(Br)cc1S(=O)(=O)NCC[N@H+]1CC[C@H](C)C1 ZINC000580385103 655511883 /nfs/dbraw/zinc/51/18/83/655511883.db2.gz BCIRRPHEAMGBTI-JTQLQIEISA-N 1 0 379.295 2.517 20 0 GFADRO CN(C[C@H](O)c1cccc(Br)c1)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000840316118 661153812 /nfs/dbraw/zinc/15/38/12/661153812.db2.gz QPCLZYCNUNLLAO-ULQDDVLXSA-N 1 0 398.345 2.997 20 0 GFADRO C[C@@]1(NC(=O)Nc2ccc(I)cc2Cl)CC[NH2+]C1 ZINC000596121980 655513987 /nfs/dbraw/zinc/51/39/87/655513987.db2.gz QXARVKYFTNJCIJ-GFCCVEGCSA-N 1 0 379.629 2.818 20 0 GFADRO O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cc(Br)cnc1F ZINC000700904185 655521543 /nfs/dbraw/zinc/52/15/43/655521543.db2.gz ZWFXQPDQIOCEHW-AWEZNQCLSA-N 1 0 378.245 2.988 20 0 GFADRO C[C@]12C[NH2+]C[C@H]1CN(C(=O)c1cc(Br)ccc1Br)C2 ZINC000703572940 655521971 /nfs/dbraw/zinc/52/19/71/655521971.db2.gz DJYAUPLLMRZRIX-LKFCYVNXSA-N 1 0 388.103 2.893 20 0 GFADRO C[NH+](C)C1(C)CCN(C(=O)c2csc(I)c2)CC1 ZINC000709894479 655522389 /nfs/dbraw/zinc/52/23/89/655522389.db2.gz WWMDLVPKMKWPAU-UHFFFAOYSA-N 1 0 378.279 2.909 20 0 GFADRO O=S(=O)(N[C@@]12CCC[C@H]1[NH2+]CC2)c1c(Cl)cccc1Br ZINC000711639345 655522449 /nfs/dbraw/zinc/52/24/49/655522449.db2.gz KKFCFPSEZQMZFI-DGCLKSJQSA-N 1 0 379.707 2.665 20 0 GFADRO Cn1cc(Br)c(C(=O)NC[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)n1 ZINC000710346021 655522517 /nfs/dbraw/zinc/52/25/17/655522517.db2.gz OUQANTADIPBFNA-GOSISDBHSA-N 1 0 391.313 2.825 20 0 GFADRO C[N@H+](Cc1ccccc1)[C@H](CNS(=O)(=O)c1cccnc1Cl)C1CC1 ZINC000718030048 655523964 /nfs/dbraw/zinc/52/39/64/655523964.db2.gz BBOAHNVTJMSZMC-MRXNPFEDSA-N 1 0 379.913 2.924 20 0 GFADRO COc1nsc(C[NH2+][C@H]2CCCN3CCSC[C@@H]23)c1Br ZINC000720494193 655524515 /nfs/dbraw/zinc/52/45/15/655524515.db2.gz HXXGRARBAIQBEW-UWVGGRQHSA-N 1 0 378.361 2.584 20 0 GFADRO C[C@H](NC(=S)NCCN1CC[NH+](C)CC1)c1ccc(Cl)cc1Cl ZINC000726449361 655534535 /nfs/dbraw/zinc/53/45/35/655534535.db2.gz FTYGYLUPCBOOJE-LBPRGKRZSA-N 1 0 375.369 2.766 20 0 GFADRO C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=S)NCC(C)(C)C[NH+](C)C ZINC000727070544 655541223 /nfs/dbraw/zinc/54/12/23/655541223.db2.gz HXUZBFBREQTDHS-AWEZNQCLSA-N 1 0 385.599 2.545 20 0 GFADRO CCCc1cc[n+](C(C(=O)c2ccc(C)s2)C(=S)NCC(N)=O)cc1 ZINC000727162292 655542296 /nfs/dbraw/zinc/54/22/96/655542296.db2.gz ZKPYEBFITNIUIK-UHFFFAOYSA-O 1 0 376.527 2.583 20 0 GFADRO CCCc1cc[n+](C(C(=O)c2ccc(Cl)s2)C(=S)NCC(N)=O)cc1 ZINC000727162196 655542336 /nfs/dbraw/zinc/54/23/36/655542336.db2.gz WEOONJLXVKNTOY-UHFFFAOYSA-O 1 0 396.945 2.928 20 0 GFADRO CN(C)C(=O)c1ccc(C[NH2+]C[C@H](O)c2ccc(Br)cc2)cc1 ZINC000728943515 655560446 /nfs/dbraw/zinc/56/04/46/655560446.db2.gz XUNGTFHSCGMEBH-KRWDZBQOSA-N 1 0 377.282 2.974 20 0 GFADRO COC1CC[NH+](C2(CNC(=O)c3[nH]nc(C)c3Br)CCCC2)CC1 ZINC000730790652 655577908 /nfs/dbraw/zinc/57/79/08/655577908.db2.gz PGHHVWQEYTZWAB-UHFFFAOYSA-N 1 0 399.333 2.634 20 0 GFADRO O=C(c1sccc1S(=O)(=O)C(F)F)N1CCC([NH+]2CCCCC2)CC1 ZINC000731002891 655580552 /nfs/dbraw/zinc/58/05/52/655580552.db2.gz BBJKUVAWQLOIDL-UHFFFAOYSA-N 1 0 392.493 2.835 20 0 GFADRO CC[N@@H+]1CCCC[C@@H]1CNS(=O)(=O)c1cc(Br)cnc1Cl ZINC000732223237 655593343 /nfs/dbraw/zinc/59/33/43/655593343.db2.gz CRTRXUIVOXIQGV-LLVKDONJSA-N 1 0 396.738 2.650 20 0 GFADRO C[NH+](C)CCOC1CCN(c2ccc(S(=O)(=O)C(F)(F)F)cc2)CC1 ZINC000732920828 655604854 /nfs/dbraw/zinc/60/48/54/655604854.db2.gz NQEPIYUIHPCGSS-UHFFFAOYSA-N 1 0 380.432 2.527 20 0 GFADRO CN(C)c1cc(C(=O)NCC2([NH+]3CCSCC3)CCCC2)cc(Cl)n1 ZINC000733095721 655607960 /nfs/dbraw/zinc/60/79/60/655607960.db2.gz MPWSBMGJUNCSAS-UHFFFAOYSA-N 1 0 382.961 2.892 20 0 GFADRO CC(C)[C@@H](C[NH+](C)C)NC(=O)[C@H]1CCN(c2ccccc2Br)C1=O ZINC000733166016 655608543 /nfs/dbraw/zinc/60/85/43/655608543.db2.gz NNISQCDTDVTGFP-UKRRQHHQSA-N 1 0 396.329 2.504 20 0 GFADRO CC[NH+](CC)CCCCNC(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000733160666 655608563 /nfs/dbraw/zinc/60/85/63/655608563.db2.gz IXKJOTADDDESDD-UHFFFAOYSA-N 1 0 380.432 2.832 20 0 GFADRO C[NH+](C)CC(C)(C)CNC(=S)NCc1nc(-c2cccc(Cl)c2)no1 ZINC000734309729 655628997 /nfs/dbraw/zinc/62/89/97/655628997.db2.gz GVDAAGKDYXUZRE-UHFFFAOYSA-N 1 0 381.933 2.942 20 0 GFADRO CS[C@@H]1CCC[C@@H]([NH2+]Cc2c(C)nn([C@H]3CCS(=O)(=O)C3)c2Cl)C1 ZINC000735323960 655645313 /nfs/dbraw/zinc/64/53/13/655645313.db2.gz IUYDEBMPCUVPSV-HZSPNIEDSA-N 1 0 391.990 2.968 20 0 GFADRO CC[C@H](C[NH+]1CCCC1)NC(=O)C[C@](O)(c1nc(C)cs1)C(F)(F)F ZINC000735923751 655655415 /nfs/dbraw/zinc/65/54/15/655655415.db2.gz JUTXVBRRDBTTGQ-DOMZBBRYSA-N 1 0 379.448 2.582 20 0 GFADRO C[NH+]1CCC(CNC(=O)C(=O)Nc2cccc(C3SCCS3)c2)CC1 ZINC000737262008 655670398 /nfs/dbraw/zinc/67/03/98/655670398.db2.gz GEJGROMUAZUWSQ-UHFFFAOYSA-N 1 0 379.551 2.562 20 0 GFADRO Cc1ccccc1C[NH+]1CCN(Cn2cc(I)cn2)CC1 ZINC000738017041 655683539 /nfs/dbraw/zinc/68/35/39/655683539.db2.gz PARXMHBZEBIGDK-UHFFFAOYSA-N 1 0 396.276 2.571 20 0 GFADRO COc1ccc(I)c(NC(=O)CCCC[NH+](C)C)c1 ZINC000741210063 655703714 /nfs/dbraw/zinc/70/37/14/655703714.db2.gz RQPDQPLTJFDLRI-UHFFFAOYSA-N 1 0 376.238 2.970 20 0 GFADRO COc1ccc(Br)cc1C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000741693331 655707316 /nfs/dbraw/zinc/70/73/16/655707316.db2.gz PIBXQCJXMACRFS-HNNXBMFYSA-N 1 0 397.313 2.831 20 0 GFADRO C[C@@H]1CCC[N@@H+]1CCNC(=O)c1cc(F)ccc1I ZINC000742239771 655712888 /nfs/dbraw/zinc/71/28/88/655712888.db2.gz HDMYOJJAWCTWEA-SNVBAGLBSA-N 1 0 376.213 2.644 20 0 GFADRO CN(Cc1ccc(C[NH+](C)C)cc1)S(=O)(=O)c1ccc(Br)cn1 ZINC000742286198 655714096 /nfs/dbraw/zinc/71/40/96/655714096.db2.gz DQZBEJTUXDLXIK-UHFFFAOYSA-N 1 0 398.326 2.726 20 0 GFADRO O=C(Nc1cc2c(cc1Br)OCCO2)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000743075462 655726099 /nfs/dbraw/zinc/72/60/99/655726099.db2.gz MILRWGUACVNWCU-LBPRGKRZSA-N 1 0 394.269 2.698 20 0 GFADRO C[N@H+](Cc1ccccc1)[C@H]1CCN(Cn2cc(I)cn2)C1 ZINC000743375623 655728301 /nfs/dbraw/zinc/72/83/01/655728301.db2.gz JAGRYPMETIBKOO-INIZCTEOSA-N 1 0 396.276 2.652 20 0 GFADRO CCC[N@H+](C)C[C@@H]1CCN(Cn2c3ccc(Br)cc3oc2=O)C1 ZINC000743393464 655728637 /nfs/dbraw/zinc/72/86/37/655728637.db2.gz SGSAMXYJSHSCNY-ZDUSSCGKSA-N 1 0 382.302 2.978 20 0 GFADRO O=S(=O)(c1ccc(CC[NH2+]CC2(O)CCCCC2)s1)N1CCCCC1 ZINC000743484860 655729583 /nfs/dbraw/zinc/72/95/83/655729583.db2.gz SNRKCYYTMXTBGT-UHFFFAOYSA-N 1 0 386.583 2.750 20 0 GFADRO C[C@H]1CCC[N@@H+]1CCNC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000743980066 655733462 /nfs/dbraw/zinc/73/34/62/655733462.db2.gz DYXPXVWPKWNIFJ-JTQLQIEISA-N 1 0 377.794 2.898 20 0 GFADRO C[C@@H]1CCC[N@@H+]1CCNC(=O)c1cnn(-c2cccc(Br)c2)c1 ZINC000744344923 655739316 /nfs/dbraw/zinc/73/93/16/655739316.db2.gz HXHNYSQVFLXJJK-CYBMUJFWSA-N 1 0 377.286 2.849 20 0 GFADRO CC(C)[NH+]1CCC(NC(=O)COC(=O)c2csc(Br)c2)CC1 ZINC000744680023 655743577 /nfs/dbraw/zinc/74/35/77/655743577.db2.gz GSNZMMTYIINYCM-UHFFFAOYSA-N 1 0 389.315 2.656 20 0 GFADRO C[C@@H](NC(=S)NCC[N@@H+]1CCCOCC1)c1ccc(Br)cc1 ZINC000840743207 661182133 /nfs/dbraw/zinc/18/21/33/661182133.db2.gz HJZUGWNZBZXHKT-CYBMUJFWSA-N 1 0 386.359 2.697 20 0 GFADRO COC(=O)/C(C)=C\C[N@@H+]1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000746501575 655762767 /nfs/dbraw/zinc/76/27/67/655762767.db2.gz DLPPHJVQXVIWJZ-OTAKNEKHSA-N 1 0 396.285 2.614 20 0 GFADRO Cc1csc([C@@](O)(CC(=O)NC[C@@H](C)[NH+]2CCCCC2)C(F)(F)F)n1 ZINC000746832316 655767571 /nfs/dbraw/zinc/76/75/71/655767571.db2.gz CINYUTXVXHHBFC-DOMZBBRYSA-N 1 0 379.448 2.582 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CNC(=S)NCc1nc(C)c(Br)s1 ZINC000840781514 661187273 /nfs/dbraw/zinc/18/72/73/661187273.db2.gz VNHNWLWYJUVUHY-JTQLQIEISA-N 1 0 377.377 2.662 20 0 GFADRO COC(=O)CCCNC(=S)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000747726633 655782536 /nfs/dbraw/zinc/78/25/36/655782536.db2.gz ZBDWJIYJWRYGPS-OAHLLOKOSA-N 1 0 383.583 2.938 20 0 GFADRO Cc1csc([C@](O)(CC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)C(F)(F)F)n1 ZINC000747982335 655785950 /nfs/dbraw/zinc/78/59/50/655785950.db2.gz ZDWFCNIUDIVFPJ-XHDPSFHLSA-N 1 0 381.464 2.684 20 0 GFADRO Cc1csc([C@@](O)(CC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)C(F)(F)F)n1 ZINC000747982333 655786015 /nfs/dbraw/zinc/78/60/15/655786015.db2.gz ZDWFCNIUDIVFPJ-NHYWBVRUSA-N 1 0 381.464 2.684 20 0 GFADRO C[NH+](C)[C@]1(CNS(=O)(=O)c2ccc(OC3CCCC3)cc2)CCSC1 ZINC000748651338 655793287 /nfs/dbraw/zinc/79/32/87/655793287.db2.gz GEXAREUEQIDGRX-SFHVURJKSA-N 1 0 384.567 2.724 20 0 GFADRO CCc1c(Cl)nc(CS(C)(=O)=O)nc1N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000749095763 655800044 /nfs/dbraw/zinc/80/00/44/655800044.db2.gz ANMFNIYBVFUEPC-CYBMUJFWSA-N 1 0 388.965 2.548 20 0 GFADRO O=S(=O)(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1cc2ccc(Cl)nc2cc1F ZINC000750155438 655811892 /nfs/dbraw/zinc/81/18/92/655811892.db2.gz MGEUMJDBZAZWPD-ZFWWWQNUSA-N 1 0 383.876 2.932 20 0 GFADRO CCOCCC1(C[NH2+]Cc2c(C)nn([C@@H]3CCS(=O)(=O)C3)c2Cl)CC1 ZINC000752089950 655839385 /nfs/dbraw/zinc/83/93/85/655839385.db2.gz VNQYKZWEBLVDON-CQSZACIVSA-N 1 0 389.949 2.501 20 0 GFADRO CCc1ccc([C@H](CNC(=O)c2cnn(C)c2Br)[NH+](C)C)cc1 ZINC000753779265 655858647 /nfs/dbraw/zinc/85/86/47/655858647.db2.gz DOERMABNHQIDAT-HNNXBMFYSA-N 1 0 379.302 2.778 20 0 GFADRO OC[C@H](C[C@H](O)c1ccccc1)[NH2+]Cc1ccccc1I ZINC000754083180 655863484 /nfs/dbraw/zinc/86/34/84/655863484.db2.gz UGCFIQJITBMGFJ-RDJZCZTQSA-N 1 0 397.256 2.865 20 0 GFADRO CCOC(=O)c1cc(C)sc1NC(=O)C[NH2+][C@H](CCO)c1cccs1 ZINC000754396584 655867310 /nfs/dbraw/zinc/86/73/10/655867310.db2.gz UBGDZPNDIGXLAY-CYBMUJFWSA-N 1 0 382.507 2.947 20 0 GFADRO COC(=O)C[C@@H]([NH2+][C@H](C)C(=O)N(C)Cc1ccc(Br)cc1)C1CC1 ZINC000754517658 655869126 /nfs/dbraw/zinc/86/91/26/655869126.db2.gz LMHXHHFRCAHDPT-MLGOLLRUSA-N 1 0 397.313 2.727 20 0 GFADRO CS(=O)(=O)N1CCC[C@@H](C[N@@H+]2CCC[C@H]2COc2ccc(Cl)cc2)C1 ZINC000754638076 655870677 /nfs/dbraw/zinc/87/06/77/655870677.db2.gz IPZAKNHYECZVNI-RDJZCZTQSA-N 1 0 386.945 2.855 20 0 GFADRO Clc1cccc(-n2cc(C[NH2+]CCCNc3ncccn3)nn2)c1Cl ZINC000754824643 655874794 /nfs/dbraw/zinc/87/47/94/655874794.db2.gz PNIMFOVIALVQFN-UHFFFAOYSA-N 1 0 378.267 2.956 20 0 GFADRO CC[C@H]([NH2+]CCC(C)(C)S(C)(=O)=O)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000840876502 661197915 /nfs/dbraw/zinc/19/79/15/661197915.db2.gz NPCJJNQMOJGDND-LSDHHAIUSA-N 1 0 376.563 2.967 20 0 GFADRO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000755336945 655882426 /nfs/dbraw/zinc/88/24/26/655882426.db2.gz ZYMCNRMISJNYBA-LBPRGKRZSA-N 1 0 379.254 2.688 20 0 GFADRO Cn1ccnc1[C@@H]1CC[N@H+](Cn2ccc(=O)c3cccc(Br)c32)C1 ZINC000755793124 655889069 /nfs/dbraw/zinc/88/90/69/655889069.db2.gz YFZCXJFFNHSOJG-CYBMUJFWSA-N 1 0 387.281 2.945 20 0 GFADRO O=S(=O)(Cc1ccc(F)c(Cl)c1)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000755948294 655891681 /nfs/dbraw/zinc/89/16/81/655891681.db2.gz IHXIECCOJOOMQY-HNNXBMFYSA-N 1 0 390.908 2.542 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1cccnc1I ZINC000757700491 655915447 /nfs/dbraw/zinc/91/54/47/655915447.db2.gz CRBYWBJZIDFITL-GFCCVEGCSA-N 1 0 387.265 2.681 20 0 GFADRO Cc1cccc(C(=O)OCC(=O)NC2CC[NH+](C3CC3)CC2)c1Br ZINC000757812048 655917048 /nfs/dbraw/zinc/91/70/48/655917048.db2.gz HLIOGXZZKVQXQM-UHFFFAOYSA-N 1 0 395.297 2.657 20 0 GFADRO C[C@H](C[C@@H](O)c1ccc(F)cc1)[NH2+]Cc1ccc(S(N)(=O)=O)c(Cl)c1 ZINC000840906270 661204819 /nfs/dbraw/zinc/20/48/19/661204819.db2.gz FMKPJCBABVPBBW-BDJLRTHQSA-N 1 0 386.876 2.728 20 0 GFADRO CS[C@@H]1CN(C(=O)Nc2ccc([S@](=O)C(F)(F)F)cc2)C[C@H]1[NH+](C)C ZINC000759987802 655967250 /nfs/dbraw/zinc/96/72/50/655967250.db2.gz QENDMXZRSLJQGP-DSGZJRDPSA-N 1 0 395.472 2.823 20 0 GFADRO CC(C)NS(=O)(=O)NCC[NH2+][C@H]1CCCc2cc(SC(F)F)ccc21 ZINC000760050515 655967915 /nfs/dbraw/zinc/96/79/15/655967915.db2.gz YNAPUAWMSOPWML-HNNXBMFYSA-N 1 0 393.525 2.801 20 0 GFADRO C[C@@H]([NH2+]C1CCN(CCS(C)(=O)=O)CC1)c1cc(Cl)c(N)c(Cl)c1 ZINC000760159095 655970455 /nfs/dbraw/zinc/97/04/55/655970455.db2.gz OKWLIRHRNGPNSR-LLVKDONJSA-N 1 0 394.368 2.735 20 0 GFADRO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]CCC[C@H]1CCCCO1 ZINC000760648411 655988840 /nfs/dbraw/zinc/98/88/40/655988840.db2.gz ZBPXWRUQPTTZHO-LSDHHAIUSA-N 1 0 389.949 2.643 20 0 GFADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]CCC[C@H]1CCCCO1 ZINC000760648410 655988858 /nfs/dbraw/zinc/98/88/58/655988858.db2.gz ZBPXWRUQPTTZHO-HUUCEWRRSA-N 1 0 389.949 2.643 20 0 GFADRO Cc1cc(Br)ccc1C(=O)N1CCC([NH2+][C@@H]2CCN(C)C2)CC1 ZINC000760872535 655993961 /nfs/dbraw/zinc/99/39/61/655993961.db2.gz TUUGBJNEWVLQIB-MRXNPFEDSA-N 1 0 380.330 2.656 20 0 GFADRO Cc1cc(Br)ccc1C(=O)N1CCC([NH2+][C@H]2CCN(C)C2)CC1 ZINC000760872533 655994020 /nfs/dbraw/zinc/99/40/20/655994020.db2.gz TUUGBJNEWVLQIB-INIZCTEOSA-N 1 0 380.330 2.656 20 0 GFADRO O=C1NC2(CC[NH+](Cc3ccccc3)CC2)C(=O)N1C[C@@H]1CC1(Cl)Cl ZINC000760953046 655995086 /nfs/dbraw/zinc/99/50/86/655995086.db2.gz SXAZYKZLUGQRIZ-AWEZNQCLSA-N 1 0 382.291 2.767 20 0 GFADRO C[C@H]1C[C@@H](N2C(=O)CN(Cc3cccc(Br)c3)C2=O)C[N@@H+]1C1CC1 ZINC000762097435 656031160 /nfs/dbraw/zinc/03/11/60/656031160.db2.gz TUQJDQQJBPEZTP-BLLLJJGKSA-N 1 0 392.297 2.839 20 0 GFADRO C[C@@H](C1=CC[N@H+](C)CC1)N1C(=O)N[C@H](c2ccc(Br)cc2)C1=O ZINC000762315524 656038720 /nfs/dbraw/zinc/03/87/20/656038720.db2.gz JJSFBMDLAYSBTO-XHDPSFHLSA-N 1 0 378.270 2.692 20 0 GFADRO C[NH+](C)CCNC(=O)c1ccc(NC(=O)c2cc(Cl)cc(Cl)n2)cc1 ZINC000762443732 656042223 /nfs/dbraw/zinc/04/22/23/656042223.db2.gz JZXNHONCQXFMNC-UHFFFAOYSA-N 1 0 381.263 2.932 20 0 GFADRO COc1cc(/C=C/C(=O)NCC[N@H+]2CC=C(C)CC2)cc(Br)c1O ZINC000762701079 656056347 /nfs/dbraw/zinc/05/63/47/656056347.db2.gz OQWXWMZWQTZBFC-ONEGZZNKSA-N 1 0 395.297 2.945 20 0 GFADRO COc1ccc2nc(Cl)ccc2c1S(=O)(=O)N[C@H]1CCC[C@@H]1[NH+](C)C ZINC000840952778 661218676 /nfs/dbraw/zinc/21/86/76/661218676.db2.gz TVQXYPDWROLDKO-KBPBESRZSA-N 1 0 383.901 2.658 20 0 GFADRO Cc1sc(Cl)nc1C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO ZINC000762897941 656062970 /nfs/dbraw/zinc/06/29/70/656062970.db2.gz JCBRBWBCZRPCKV-LSDHHAIUSA-N 1 0 379.913 2.718 20 0 GFADRO CCOc1cc(C[NH2+]CCS(=O)(=O)C2CC2)cc(Br)c1OC ZINC000840962660 661220929 /nfs/dbraw/zinc/22/09/29/661220929.db2.gz IRYZFLBQYBWICI-UHFFFAOYSA-N 1 0 392.315 2.523 20 0 GFADRO O=C(NC1CC[NH+](C[C@H]2CCCO2)CC1)c1ccc(Br)c(O)c1 ZINC000764270560 656107270 /nfs/dbraw/zinc/10/72/70/656107270.db2.gz CKVPIXUJGPOKLT-CQSZACIVSA-N 1 0 383.286 2.528 20 0 GFADRO COc1cc(C)c(Br)cc1NC(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000765337783 656140411 /nfs/dbraw/zinc/14/04/11/656140411.db2.gz SXANGKIJQMYEML-CHWSQXEVSA-N 1 0 398.301 2.751 20 0 GFADRO Cn1nc(C(F)(F)F)c(CN2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)c1Cl ZINC000841099062 661232520 /nfs/dbraw/zinc/23/25/20/661232520.db2.gz CPESBKWEAPYOEN-OLZOCXBDSA-N 1 0 380.842 2.811 20 0 GFADRO C[C@@H]([NH2+]C[C@H](C)C(C)(C)C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000766008219 656157668 /nfs/dbraw/zinc/15/76/68/656157668.db2.gz QXLTUXIROQNZJX-UONOGXRCSA-N 1 0 390.571 2.745 20 0 GFADRO Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1CN(C)C[C@H](O)C[NH3+] ZINC000841091731 661231992 /nfs/dbraw/zinc/23/19/92/661231992.db2.gz FAEPTSOXYKWYCV-CYBMUJFWSA-N 1 0 376.810 2.604 20 0 GFADRO COc1cc[nH+]c(N2CCN(C(=O)c3sc(Br)nc3C)CC2)c1 ZINC000841106987 661233432 /nfs/dbraw/zinc/23/34/32/661233432.db2.gz MTJCQWPVXMVQCU-UHFFFAOYSA-N 1 0 397.298 2.580 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)Nc2cnc(Br)c(Br)c2)C1 ZINC000841142421 661237474 /nfs/dbraw/zinc/23/74/74/661237474.db2.gz OGHCCWZTHHUKEH-SFYZADRCSA-N 1 0 392.095 2.808 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)Nc2ccccc2SC(F)(F)F)C1 ZINC000841178891 661241731 /nfs/dbraw/zinc/24/17/31/661241731.db2.gz IMBHZQCWTKKBCG-GHMZBOCLSA-N 1 0 375.416 2.823 20 0 GFADRO CCO[C@H](CC[NH+](C)C)CNC(=O)Nc1cnc(Cl)c(Br)c1 ZINC000767898402 656226101 /nfs/dbraw/zinc/22/61/01/656226101.db2.gz ZRQHITPTZWQYGV-LLVKDONJSA-N 1 0 393.713 2.976 20 0 GFADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)Nc1cnc(Cl)c(Br)c1 ZINC000767920230 656227906 /nfs/dbraw/zinc/22/79/06/656227906.db2.gz ZYCWXHUGQGIFEB-LLVKDONJSA-N 1 0 391.697 2.730 20 0 GFADRO CC(C)N(CC[NH+](C)C)C(=O)c1cc(=O)c2cc(Br)ccc2o1 ZINC000841157214 661239705 /nfs/dbraw/zinc/23/97/05/661239705.db2.gz GLTFDJGVLFAYAP-UHFFFAOYSA-N 1 0 381.270 2.968 20 0 GFADRO CSc1nc2ccc(NC(=O)C(=O)N(C)CC[C@@H]([NH3+])C(C)C)cc2s1 ZINC000841193184 661243184 /nfs/dbraw/zinc/24/31/84/661243184.db2.gz QFJKTYFBCWQVAM-GFCCVEGCSA-N 1 0 380.539 2.789 20 0 GFADRO [NH3+]C[C@@H]1CC[C@H](NC(=O)C(=O)Nc2cccc(Cl)c2SC(F)F)C1 ZINC000841260697 661250369 /nfs/dbraw/zinc/25/03/69/661250369.db2.gz JDXDDWXNECWLAG-BDAKNGLRSA-N 1 0 377.844 2.837 20 0 GFADRO O=C(Nc1cccc(Cl)c1SC(F)F)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000841212733 661244649 /nfs/dbraw/zinc/24/46/49/661244649.db2.gz GJYJRCNTIQDKAM-MRXNPFEDSA-N 1 0 389.855 2.805 20 0 GFADRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)Nc1ccc2cc(Br)ccc2c1 ZINC000841218636 661245331 /nfs/dbraw/zinc/24/53/31/661245331.db2.gz UBUOFZMJMURBOS-BDJLRTHQSA-N 1 0 390.281 2.655 20 0 GFADRO CN(CCC1CC[NH+](CCCCS(C)(=O)=O)CC1)C(=O)OC(C)(C)C ZINC000769944754 656301939 /nfs/dbraw/zinc/30/19/39/656301939.db2.gz ZCUNIIRGJYHXJU-UHFFFAOYSA-N 1 0 376.563 2.780 20 0 GFADRO O=C(NCCC[NH2+]C1CC1)C(=O)Nc1cccc(Cl)c1SC(F)F ZINC000841292212 661251098 /nfs/dbraw/zinc/25/10/98/661251098.db2.gz NEGPABHVMWRZQC-UHFFFAOYSA-N 1 0 377.844 2.852 20 0 GFADRO O=C1C[C@H]([C@H]2CCCC[N@H+]2Cc2ccccc2I)CN1 ZINC000770378364 656317715 /nfs/dbraw/zinc/31/77/15/656317715.db2.gz DTPXGMXYDAXUBP-DZGCQCFKSA-N 1 0 384.261 2.782 20 0 GFADRO CC1(C)C[NH2+]CC[C@@H]1NS(=O)(=O)Cc1ccc(Cl)cc1Br ZINC000842483874 661341565 /nfs/dbraw/zinc/34/15/65/661341565.db2.gz SMTLZQPVVHNAML-ZDUSSCGKSA-N 1 0 395.750 2.910 20 0 GFADRO CC[NH+]1CCN(c2cccc(NC(=O)c3n[nH]c(C)c3Br)c2)CC1 ZINC000771635830 656358495 /nfs/dbraw/zinc/35/84/95/656358495.db2.gz IBJHAVJCDPGFKV-UHFFFAOYSA-N 1 0 392.301 2.875 20 0 GFADRO COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]CCS(=O)(=O)C(C)(C)C ZINC000772977468 656396028 /nfs/dbraw/zinc/39/60/28/656396028.db2.gz AKCBNBVCSYHDLH-GFCCVEGCSA-N 1 0 390.933 2.869 20 0 GFADRO COc1ccc(CC[C@@H](C)[NH2+]C[C@H](O)CS(=O)(=O)c2cccs2)cc1 ZINC000773091838 656399291 /nfs/dbraw/zinc/39/92/91/656399291.db2.gz KPAXAOLCJRMBSG-ZBFHGGJFSA-N 1 0 383.535 2.502 20 0 GFADRO O=C([C@@H](O)c1cc(Cl)cc(Cl)c1)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000773420472 656445264 /nfs/dbraw/zinc/44/52/64/656445264.db2.gz YDQOJBGRZGKZKO-SJORKVTESA-N 1 0 387.307 2.740 20 0 GFADRO Cc1nc(Br)ccc1NC(=O)c1ccnc(OCC[NH+](C)C)c1 ZINC000773716366 656469432 /nfs/dbraw/zinc/46/94/32/656469432.db2.gz DYJOBWJBLCJVFV-UHFFFAOYSA-N 1 0 379.258 2.740 20 0 GFADRO COc1ccccc1[C@H](O)C[NH2+]C[C@H](O)c1ccc(F)c(Br)c1 ZINC000774608145 656540204 /nfs/dbraw/zinc/54/02/04/656540204.db2.gz GLYBMMZISIJAHQ-JKSUJKDBSA-N 1 0 384.245 2.953 20 0 GFADRO c1ccc(C[C@H](CN2CCOCC2)[NH2+][C@@H]2CC[C@@H]3SCCS[C@@H]23)cc1 ZINC000775387449 656636202 /nfs/dbraw/zinc/63/62/02/656636202.db2.gz MNYYKPCAYPRHQA-ZRNYENFQSA-N 1 0 378.607 2.899 20 0 GFADRO C[C@H](Cc1cnccn1)[NH2+][C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000775498176 656643948 /nfs/dbraw/zinc/64/39/48/656643948.db2.gz YBKPCDWQPRQEKT-ABAIWWIYSA-N 1 0 396.310 2.678 20 0 GFADRO O=C(NCC(F)(F)F)C1CC[NH+](C[C@H](O)c2ccc(F)cc2Cl)CC1 ZINC000775559304 656649342 /nfs/dbraw/zinc/64/93/42/656649342.db2.gz VIZXKHZOOZNLMJ-AWEZNQCLSA-N 1 0 382.785 2.903 20 0 GFADRO CN(C)c1ncc(C[N@H+](C)C[C@@H](O)c2ccc(F)c(Br)c2)cn1 ZINC000775659662 656661369 /nfs/dbraw/zinc/66/13/69/656661369.db2.gz HWNDTQODZDDUBH-OAHLLOKOSA-N 1 0 383.265 2.610 20 0 GFADRO C[N@H+](CCCCNS(=O)(=O)c1cc(Br)cnc1Cl)C1CC1 ZINC000841528138 661291037 /nfs/dbraw/zinc/29/10/37/661291037.db2.gz QSLQCGHKQUMFBO-UHFFFAOYSA-N 1 0 396.738 2.650 20 0 GFADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)Nc3ccc(Br)cc3F)CC2)C1 ZINC000778236986 656871130 /nfs/dbraw/zinc/87/11/30/656871130.db2.gz VFFVGRJDTMQZER-AWEZNQCLSA-N 1 0 399.308 2.832 20 0 GFADRO C[C@@H]([NH2+]C[C@](O)(c1ccc(Cl)cc1)C(F)(F)F)C1CCS(=O)(=O)CC1 ZINC000779045031 656897927 /nfs/dbraw/zinc/89/79/27/656897927.db2.gz GOGQTQWWVQQXDZ-ABAIWWIYSA-N 1 0 399.862 2.893 20 0 GFADRO CCOc1ccc(S(=O)(=O)NCC[N@@H+]2CCC[C@@H]2C)cc1Br ZINC000780868014 657034018 /nfs/dbraw/zinc/03/40/18/657034018.db2.gz UMWYHCFPWVPJIZ-LBPRGKRZSA-N 1 0 391.331 2.610 20 0 GFADRO Cc1cc(N2CCC[C@H]([N@@H+]3C[C@@H]4C[C@]4(CO)C3)C2=O)ccc1Br ZINC000782610917 657162862 /nfs/dbraw/zinc/16/28/62/657162862.db2.gz AVBAZHGCFVNBCI-QANKJYHBSA-N 1 0 379.298 2.567 20 0 GFADRO C[C@H]1CCC[N@@H+]1CCNC(=O)[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000783922150 657273863 /nfs/dbraw/zinc/27/38/63/657273863.db2.gz VZSJGEYMXHBWQB-GXTWGEPZSA-N 1 0 384.307 2.947 20 0 GFADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]C[C@@H]1CCCCS1 ZINC000784618862 657319545 /nfs/dbraw/zinc/31/95/45/657319545.db2.gz UVPWJWBEOCWSCJ-OLZOCXBDSA-N 1 0 377.963 2.580 20 0 GFADRO Cn1nc(Br)cc1C[NH2+]C1CCN(C(=O)c2ccccc2)CC1 ZINC000785413050 657362732 /nfs/dbraw/zinc/36/27/32/657362732.db2.gz OGCMHRQDNICFRM-UHFFFAOYSA-N 1 0 377.286 2.577 20 0 GFADRO Cn1nc(Br)cc1C[NH2+]CCc1cc(Cl)c2c(c1)OCCO2 ZINC000785418271 657363532 /nfs/dbraw/zinc/36/35/32/657363532.db2.gz YOVMLZXXAWYUSX-UHFFFAOYSA-N 1 0 386.677 2.940 20 0 GFADRO CC(C)NC(=O)c1cnn2c1C[C@@H](C[NH2+]Cc1occc1Br)CC2 ZINC000785564945 657375394 /nfs/dbraw/zinc/37/53/94/657375394.db2.gz UQISRDURJCRWBB-LBPRGKRZSA-N 1 0 395.301 2.729 20 0 GFADRO CO[C@H]1CC(=O)N(C[N@H+](Cc2cccc(Br)c2)C2CCOCC2)C1 ZINC000787235066 657530354 /nfs/dbraw/zinc/53/03/54/657530354.db2.gz LQFWJHREBXKJJF-KRWDZBQOSA-N 1 0 397.313 2.635 20 0 GFADRO COc1ccc(C(=O)NCc2ccc(CC[NH+](C)C)cc2)nc1Br ZINC000787336884 657545341 /nfs/dbraw/zinc/54/53/41/657545341.db2.gz YYECJIXRTNIJLW-UHFFFAOYSA-N 1 0 392.297 2.887 20 0 GFADRO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@](C)(O)c1ccc(F)cc1 ZINC000787762537 657595170 /nfs/dbraw/zinc/59/51/70/657595170.db2.gz LNXGDDZVCOZCCF-SJCJKPOMSA-N 1 0 383.261 2.636 20 0 GFADRO COc1cc(C(=O)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)cnc1Br ZINC000788161588 657662880 /nfs/dbraw/zinc/66/28/80/657662880.db2.gz SSLFOWWCTGKALJ-STQMWFEESA-N 1 0 384.318 2.951 20 0 GFADRO COc1ccc([C@@H](CNC(=O)c2cc(Br)n[nH]2)[NH+]2CCCC2)cc1 ZINC000788261232 657685254 /nfs/dbraw/zinc/68/52/54/657685254.db2.gz LEJALHHZLZCZSL-OAHLLOKOSA-N 1 0 393.285 2.748 20 0 GFADRO CC(C)[C@@H](C[NH2+][C@@H](C)c1nc(Br)ccc1F)N1CCN(C)CC1 ZINC000788520631 657736904 /nfs/dbraw/zinc/73/69/04/657736904.db2.gz SQBVKDQGAQIORC-DZGCQCFKSA-N 1 0 387.341 2.906 20 0 GFADRO C[NH+](C)[C@H](CNS(=O)(=O)c1ccc(C(F)(F)F)cn1)C1CCCCC1 ZINC000788882839 657793047 /nfs/dbraw/zinc/79/30/47/657793047.db2.gz XKNDXQYTACCLGF-CQSZACIVSA-N 1 0 379.448 2.889 20 0 GFADRO C[NH+]1CCC(NC(=S)N2CCN(c3cccc(Br)c3)CC2)CC1 ZINC000789372608 657843086 /nfs/dbraw/zinc/84/30/86/657843086.db2.gz QZYDFFLFJWWHTN-UHFFFAOYSA-N 1 0 397.386 2.540 20 0 GFADRO O=C1O[C@]2(CN1CN1Cc3cccc(Br)c3C1)C[NH+]1CCC2CC1 ZINC000790383014 657965324 /nfs/dbraw/zinc/96/53/24/657965324.db2.gz HXRJZTPRHWFBHU-SFHVURJKSA-N 1 0 392.297 2.639 20 0 GFADRO O=C1O[C@]2(CN1CN1Cc3ccc(Br)cc3C1)C[NH+]1CCC2CC1 ZINC000790390230 657967222 /nfs/dbraw/zinc/96/72/22/657967222.db2.gz XCQAKGZLIQVVGF-SFHVURJKSA-N 1 0 392.297 2.639 20 0 GFADRO Cc1cc(Br)cn2c(CN[C@H](C)c3nnnn3C3CC3)cnc12 ZINC000791009518 658053082 /nfs/dbraw/zinc/05/30/82/658053082.db2.gz RQHYHPMLSUDJEZ-SNVBAGLBSA-N 1 0 376.262 2.577 20 0 GFADRO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)c1cccnc1I ZINC000791063050 658057334 /nfs/dbraw/zinc/05/73/34/658057334.db2.gz VGGUMBNXAGGOSE-GFCCVEGCSA-N 1 0 387.265 2.536 20 0 GFADRO O=C(Cc1cccnc1Br)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000791298119 658077572 /nfs/dbraw/zinc/07/75/72/658077572.db2.gz AGHAHLJCKTXZJP-UHFFFAOYSA-N 1 0 396.329 2.538 20 0 GFADRO CS[C@H]1CN(C(=O)c2nc(Br)ccc2F)C[C@H]1[NH+]1CCCC1 ZINC000792318283 658268054 /nfs/dbraw/zinc/26/80/54/658268054.db2.gz LVAGPBASDQYXRS-NEPJUHHUSA-N 1 0 388.306 2.635 20 0 GFADRO CC[S@](=O)CC[NH2+][C@@H](C)CCc1ccc(I)cc1 ZINC000792988235 658341602 /nfs/dbraw/zinc/34/16/02/658341602.db2.gz WCZZBRZBQYUUGH-SGTLLEGYSA-N 1 0 379.307 2.971 20 0 GFADRO C[C@H]1CO[C@@H](c2cccc(C(F)(F)F)c2)CN1C(=S)NCC[NH+](C)C ZINC000793257712 658378249 /nfs/dbraw/zinc/37/82/49/658378249.db2.gz WUYBIFSTPRECPG-SWLSCSKDSA-N 1 0 375.460 2.903 20 0 GFADRO C[C@H]1CN(C(=S)NCC[NH+](C)C)C[C@@H](c2cccc(C(F)(F)F)c2)O1 ZINC000793288891 658381502 /nfs/dbraw/zinc/38/15/02/658381502.db2.gz RPZSEOLVLXEOHQ-WFASDCNBSA-N 1 0 375.460 2.903 20 0 GFADRO Cc1ccc([C@H](C)NC(=O)C(=O)N(CC[NH+](C)C)Cc2cccs2)s1 ZINC000793850910 658447934 /nfs/dbraw/zinc/44/79/34/658447934.db2.gz OJCWQILYWNAFBB-AWEZNQCLSA-N 1 0 379.551 2.886 20 0 GFADRO CSc1nc2ccc(NC(=O)N3CC[N@H+](C[C@@H](C)O)C[C@@H]3C)cc2s1 ZINC000793980906 658467177 /nfs/dbraw/zinc/46/71/77/658467177.db2.gz DMKQJEAFEHYVGI-NWDGAFQWSA-N 1 0 380.539 2.937 20 0 GFADRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2Cn2c(=O)oc3cccc(Br)c32)C1 ZINC000794634327 658585758 /nfs/dbraw/zinc/58/57/58/658585758.db2.gz PGTBWORVYZYSRJ-TZMCWYRMSA-N 1 0 380.286 2.731 20 0 GFADRO C[N@@H+]1CC[C@H]2[C@H](CCCN2Cn2c(=O)oc3cccc(Br)c32)C1 ZINC000794634322 658585933 /nfs/dbraw/zinc/58/59/33/658585933.db2.gz PGTBWORVYZYSRJ-OCCSQVGLSA-N 1 0 380.286 2.731 20 0 GFADRO CN(C)c1nn(CN2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)c(=S)s1 ZINC000794668544 658595110 /nfs/dbraw/zinc/59/51/10/658595110.db2.gz VZBSBMPFZWTFBV-IYBDPMFKSA-N 1 0 375.567 2.761 20 0 GFADRO COc1c[nH+]ccc1N1CCN(Cn2nc(C(F)(F)F)sc2=S)CC1 ZINC000794707485 658599594 /nfs/dbraw/zinc/59/95/94/658599594.db2.gz TWXLHQALGLTNLL-UHFFFAOYSA-N 1 0 391.444 2.876 20 0 GFADRO C[C@H](NC(=O)C1([NH+](C)C)CCC1)c1ccc(Br)cc1OCCCO ZINC000794760915 658610286 /nfs/dbraw/zinc/61/02/86/658610286.db2.gz XMYYESFNSGIJQC-ZDUSSCGKSA-N 1 0 399.329 2.872 20 0 GFADRO C[C@@H](Cc1cnccn1)[NH2+][C@@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000794807598 658617077 /nfs/dbraw/zinc/61/70/77/658617077.db2.gz ZQGKGTNNLJILJB-UWVGGRQHSA-N 1 0 389.308 2.713 20 0 GFADRO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=S)NCCCCC(F)(F)F)CC1 ZINC000794977679 658643775 /nfs/dbraw/zinc/64/37/75/658643775.db2.gz GFDKXEOTGYKFMB-OAHLLOKOSA-N 1 0 380.524 2.695 20 0 GFADRO Cc1cc(Cl)ccc1CN1CCN(C(=S)NC2CC[NH+](C)CC2)CC1 ZINC000795107300 658674038 /nfs/dbraw/zinc/67/40/38/658674038.db2.gz KPIDQCFEOSJBTH-UHFFFAOYSA-N 1 0 380.989 2.735 20 0 GFADRO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1CNc1[nH+]ccn1CC(C)C ZINC000795805613 658853229 /nfs/dbraw/zinc/85/32/29/658853229.db2.gz KIMNRDDSVGOEKF-ZDUSSCGKSA-N 1 0 385.921 2.669 20 0 GFADRO O=C1OCC[C@H]1CC[N@H+](CCn1ccnc1)Cc1ccc(Br)o1 ZINC000796184660 658898654 /nfs/dbraw/zinc/89/86/54/658898654.db2.gz BRPAZFPUFBYTAA-CYBMUJFWSA-N 1 0 382.258 2.694 20 0 GFADRO CCC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1cc(Br)cnc1Cl ZINC000796205288 658902842 /nfs/dbraw/zinc/90/28/42/658902842.db2.gz XJSPGVCUZCOPRW-NSHDSACASA-N 1 0 396.738 2.650 20 0 GFADRO COC(=O)N1CCC(C[NH2+]Cc2cc(Br)c3c(c2)OCCO3)CC1 ZINC000796500530 658920741 /nfs/dbraw/zinc/92/07/41/658920741.db2.gz OCLOSTFDCHVWMZ-UHFFFAOYSA-N 1 0 399.285 2.788 20 0 GFADRO CNC(=O)C[C@H]([NH2+]C[C@@H](O)c1ccccc1Br)c1ccccc1 ZINC000796609514 658927313 /nfs/dbraw/zinc/92/73/13/658927313.db2.gz ALLXBJIQFYDQMV-DLBZAZTESA-N 1 0 377.282 2.950 20 0 GFADRO O=S(=O)(N1CCC(C[NH2+][C@@H]2CCCc3cccnc32)CC1)C(F)(F)F ZINC000798929326 659157562 /nfs/dbraw/zinc/15/75/62/659157562.db2.gz QGBVSRWOWIEATA-CQSZACIVSA-N 1 0 377.432 2.610 20 0 GFADRO CC(C)(CNC(=O)NC[C@H](O)c1cccc(Br)c1)C[NH+]1CCCC1 ZINC000800716043 659328646 /nfs/dbraw/zinc/32/86/46/659328646.db2.gz CRVVEEZOEXQMCQ-INIZCTEOSA-N 1 0 398.345 2.904 20 0 GFADRO Cc1nn(C)c(Br)c1C(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000801089851 659367294 /nfs/dbraw/zinc/36/72/94/659367294.db2.gz UZBFLKHKAKVYRN-UHFFFAOYSA-N 1 0 383.334 2.875 20 0 GFADRO C[C@H](CNC(=O)NC[C@@H](O)c1cccc(Br)c1)[N@@H+]1CCC[C@H](C)C1 ZINC000801750068 659422055 /nfs/dbraw/zinc/42/20/55/659422055.db2.gz KOCSHAOYJQRVFL-JJRVBVJISA-N 1 0 398.345 2.902 20 0 GFADRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)[C@H]1Cc2cc(Br)ccc2O1 ZINC000804527447 659652994 /nfs/dbraw/zinc/65/29/94/659652994.db2.gz PPFXKMBEZDBQKA-SRCQZFHVSA-N 1 0 379.298 2.838 20 0 GFADRO CCC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000804776243 659683004 /nfs/dbraw/zinc/68/30/04/659683004.db2.gz ZJXMFJVTURNGCM-ZDUSSCGKSA-N 1 0 378.416 2.584 20 0 GFADRO Cc1nn(C)c(Cl)c1S(=O)(=O)N(CC[NH+]1CCCCCC1)C(C)C ZINC000805106821 659740785 /nfs/dbraw/zinc/74/07/85/659740785.db2.gz ILTOOFWNJSEGCJ-UHFFFAOYSA-N 1 0 376.954 2.657 20 0 GFADRO CNC(=O)OC[C@@H]1CCCC[N@@H+]1C[C@@H](O)COc1cc(Cl)ccc1Cl ZINC000805827646 659808200 /nfs/dbraw/zinc/80/82/00/659808200.db2.gz LSQLENZAGOBIHI-UONOGXRCSA-N 1 0 391.295 2.944 20 0 GFADRO Cc1n[nH]c(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)c1Br ZINC000807739148 659863310 /nfs/dbraw/zinc/86/33/10/659863310.db2.gz JWJVCYKYXFKEQI-GXTWGEPZSA-N 1 0 377.286 2.873 20 0 GFADRO Cn1nc(Br)cc1-c1nc(-c2cccc(OCC[NH+](C)C)c2)no1 ZINC000809401393 659926968 /nfs/dbraw/zinc/92/69/68/659926968.db2.gz PAWPFIGNANMPAA-UHFFFAOYSA-N 1 0 392.257 2.840 20 0 GFADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1nc2ccccc2cc1Br ZINC000809643226 659934830 /nfs/dbraw/zinc/93/48/30/659934830.db2.gz FMBVRBVRZAIRLL-UONOGXRCSA-N 1 0 390.281 2.590 20 0 GFADRO CCS(=O)(=O)NC1CC[NH+](Cc2sc3nc(C)nc(C)c3c2C)CC1 ZINC000809736467 659937710 /nfs/dbraw/zinc/93/77/10/659937710.db2.gz WEYDDCASIPHYPL-UHFFFAOYSA-N 1 0 382.555 2.520 20 0 GFADRO CCC[N@H+](CC)C[C@H](C)NS(=O)(=O)c1cc(C(=O)OC)ccc1Cl ZINC000810121544 659963280 /nfs/dbraw/zinc/96/32/80/659963280.db2.gz YNUSCRSAWUBYRP-LBPRGKRZSA-N 1 0 376.906 2.525 20 0 GFADRO C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)C)c1ccc(Br)nc1 ZINC000810240659 659967431 /nfs/dbraw/zinc/96/74/31/659967431.db2.gz DDPJILRQDKHSHP-WWTUQBGBSA-N 1 0 395.345 2.578 20 0 GFADRO O=C(O[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1cn(-c2ccccc2Br)nn1 ZINC000810837848 659988229 /nfs/dbraw/zinc/98/82/29/659988229.db2.gz PJSLJQSKIYTDHK-QWHCGFSZSA-N 1 0 391.269 2.813 20 0 GFADRO CC(C)C[C@H](C[NH2+][C@H]1CCC[C@@H](S(C)(=O)=O)C1)NC(=O)OC(C)(C)C ZINC000811480912 660010021 /nfs/dbraw/zinc/01/00/21/660010021.db2.gz JNZSHIGTCGPCQQ-ARFHVFGLSA-N 1 0 376.563 2.871 20 0 GFADRO C[N@@H+]1CC[C@H](C(=O)N2CCC[C@@H]([C@@H](O)c3ccc(Br)cc3)C2)C1 ZINC000811611977 660013488 /nfs/dbraw/zinc/01/34/88/660013488.db2.gz WFXUSKHBVSQUOL-VYDXJSESSA-N 1 0 381.314 2.673 20 0 GFADRO CC(C)(C)OC(=O)NC[C@@](C)(O)C[NH2+]Cc1cc(Br)cs1 ZINC000811811395 660015859 /nfs/dbraw/zinc/01/58/59/660015859.db2.gz BNKQKUMYXHAVPG-AWEZNQCLSA-N 1 0 379.320 2.876 20 0 GFADRO Cc1nonc1C(=O)N(Cc1ccccc1Br)C1CC[NH+](C)CC1 ZINC000811930416 660018032 /nfs/dbraw/zinc/01/80/32/660018032.db2.gz YWZFWAXPILNWRQ-UHFFFAOYSA-N 1 0 393.285 2.877 20 0 GFADRO Cc1cnc(Br)c(NC(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000813001507 660039519 /nfs/dbraw/zinc/03/95/19/660039519.db2.gz HGQSINUOXDWWJV-STQMWFEESA-N 1 0 385.306 2.773 20 0 GFADRO C[C@@H](CNS(=O)(=O)c1cccc(OC(F)(F)F)c1F)[NH+]1CCCCC1 ZINC000813654738 660059104 /nfs/dbraw/zinc/05/91/04/660059104.db2.gz WNOVNWJUQWSJOU-NSHDSACASA-N 1 0 384.395 2.877 20 0 GFADRO C[N@@H+]1CC[C@@]2(CCN(S(=O)(=O)/C=C\c3ccc(Br)cc3)C2)C1 ZINC000813760402 660063445 /nfs/dbraw/zinc/06/34/45/660063445.db2.gz SVOUVZQITPRDFH-BDJZEXMMSA-N 1 0 385.327 2.777 20 0 GFADRO CC(C)(C)OC(=O)NCC[NH2+][C@@H](CO)c1ccc(Br)c(F)c1 ZINC000813791811 660064867 /nfs/dbraw/zinc/06/48/67/660064867.db2.gz FWWSKWZDALHJKQ-ZDUSSCGKSA-N 1 0 377.254 2.736 20 0 GFADRO CC[C@@H](NC(=S)NCC(=O)NCC[NH+]1CCCCCC1)c1cccs1 ZINC000814206979 660074442 /nfs/dbraw/zinc/07/44/42/660074442.db2.gz NPRSMARGZXLAOE-OAHLLOKOSA-N 1 0 382.599 2.656 20 0 GFADRO C[N@@H+]1CC[C@]2(CCN(C(=O)Nc3cc4c(cc3Br)OCCO4)C2)C1 ZINC000814501035 660087133 /nfs/dbraw/zinc/08/71/33/660087133.db2.gz MJNDNOLTNCXHJE-KRWDZBQOSA-N 1 0 396.285 2.780 20 0 GFADRO Cc1cc2cc(S(=O)(=O)NC[C@@H]3CC[N@@H+](C4CC4)C3)ccc2nc1Cl ZINC000814987616 660100131 /nfs/dbraw/zinc/10/01/31/660100131.db2.gz VVEOLDNSSJRLRU-ZDUSSCGKSA-N 1 0 379.913 2.959 20 0 GFADRO CCO[C@@H]1COCC[C@H]1[NH2+]C[C@@](C)(O)c1ccc(Br)cc1F ZINC000815095173 660111575 /nfs/dbraw/zinc/11/15/75/660111575.db2.gz NKDRBDWOMQJSBU-BZUAXINKSA-N 1 0 376.266 2.579 20 0 GFADRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+]C[C@](C)(O)c1ccc(Br)cc1Cl ZINC000815103163 660112406 /nfs/dbraw/zinc/11/24/06/660112406.db2.gz VWVPXBLHVZCHLZ-XFJVYGCCSA-N 1 0 389.721 2.814 20 0 GFADRO C[C@@](O)(C[N@@H+]1CC[C@H](CC(N)=O)C1)c1ccc(Br)cc1Cl ZINC000815120835 660113735 /nfs/dbraw/zinc/11/37/35/660113735.db2.gz WGXUUDZIONXFPS-MEBBXXQBSA-N 1 0 375.694 2.507 20 0 GFADRO COCCOCC[N@H+](C)C[C@](C)(O)c1ccc(Br)cc1Cl ZINC000815119679 660113801 /nfs/dbraw/zinc/11/38/01/660113801.db2.gz DIEIASYTSWEGIU-HNNXBMFYSA-N 1 0 380.710 2.905 20 0 GFADRO Cn1ncc(C[NH2+]CCOc2ccc(I)cc2)c1Cl ZINC000815139226 660114194 /nfs/dbraw/zinc/11/41/94/660114194.db2.gz UPFDQUQWRCXWEU-UHFFFAOYSA-N 1 0 391.640 2.847 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)c1coc(Sc2ncccn2)n1)c1ccsc1 ZINC000816858392 660170844 /nfs/dbraw/zinc/17/08/44/660170844.db2.gz NJRYENVPBPVFMJ-CYBMUJFWSA-N 1 0 375.479 2.710 20 0 GFADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)Nc1cnc(Cl)c(C(F)(F)F)c1 ZINC000841800057 661314462 /nfs/dbraw/zinc/31/44/62/661314462.db2.gz GHDXWFDLOXVRMV-GHMZBOCLSA-N 1 0 378.782 2.739 20 0 GFADRO CCOC(=O)N1CC[C@H]([NH2+]Cc2ccc(F)cc2I)C1 ZINC000841872423 661316768 /nfs/dbraw/zinc/31/67/68/661316768.db2.gz MFLSZTVBUJWFSG-LBPRGKRZSA-N 1 0 392.212 2.751 20 0 GFADRO CN(C)C(=O)c1ccccc1C[NH2+]C[C@@H](O)c1cccc(Br)c1 ZINC000841883892 661317075 /nfs/dbraw/zinc/31/70/75/661317075.db2.gz HKVOFYAHPMFTED-QGZVFWFLSA-N 1 0 377.282 2.974 20 0 GFADRO CN(C)C(=O)c1ccccc1C[NH2+]C[C@H](O)c1ccccc1Br ZINC000841886010 661317201 /nfs/dbraw/zinc/31/72/01/661317201.db2.gz JDKCYAOJBIPGFV-KRWDZBQOSA-N 1 0 377.282 2.974 20 0 GFADRO O=C(NC[C@@H]1CCC[NH2+]C1)N1CCO[C@@H](c2ccccc2Br)C1 ZINC000841924275 661317732 /nfs/dbraw/zinc/31/77/32/661317732.db2.gz VRFNHRAKAUIUEU-CZUORRHYSA-N 1 0 382.302 2.532 20 0 GFADRO [NH3+]C1(CNC(=O)NC[C@@H](O)c2cccc(Br)c2)CCCCCC1 ZINC000841916982 661317762 /nfs/dbraw/zinc/31/77/62/661317762.db2.gz YUTUZSCTDGDZGO-OAHLLOKOSA-N 1 0 384.318 2.833 20 0 GFADRO [NH3+]C[C@@H](NC(=O)NC[C@H](O)c1cccc(Br)c1)C1CCCCC1 ZINC000841939713 661317898 /nfs/dbraw/zinc/31/78/98/661317898.db2.gz JMVUPSLITQCGJY-CVEARBPZSA-N 1 0 384.318 2.689 20 0 GFADRO CCC([NH3+])(CC)CNC(=O)NCc1ccc(C(=O)OC)cc1Br ZINC000841951384 661318139 /nfs/dbraw/zinc/31/81/39/661318139.db2.gz ITYNTOUTTLCCDG-UHFFFAOYSA-N 1 0 386.290 2.552 20 0 GFADRO C[C@]1(CNC(=O)N2CCO[C@@H](c3ccccc3Br)C2)CCC[NH2+]C1 ZINC000841970489 661318665 /nfs/dbraw/zinc/31/86/65/661318665.db2.gz LYINRAOCSQSBKM-AEFFLSMTSA-N 1 0 396.329 2.922 20 0 GFADRO C[C@H](CNC(=O)C(=O)N(C)C1CCC([NH3+])CC1)c1c(Cl)cccc1Cl ZINC000842186568 661326405 /nfs/dbraw/zinc/32/64/05/661326405.db2.gz IESJXBPHLXAGOJ-PNESKVBLSA-N 1 0 386.323 2.941 20 0 GFADRO [NH3+][C@@H]1Cc2ccccc2N(S(=O)(=O)c2cc3c(cc2Cl)CCC3=O)C1 ZINC000842484753 661341772 /nfs/dbraw/zinc/34/17/72/661341772.db2.gz RXRLVGCRDWSMFP-CYBMUJFWSA-N 1 0 376.865 2.548 20 0 GFADRO C[NH2+]C[C@H](C)c1noc(-c2cc(F)c(F)cc2I)n1 ZINC000842581301 661344397 /nfs/dbraw/zinc/34/43/97/661344397.db2.gz CKNULTCWUGDBKL-LURJTMIESA-N 1 0 379.148 2.942 20 0 GFADRO [NH3+]CCc1ccc(CNS(=O)(=O)c2ccc(C(F)(F)F)cc2F)cc1 ZINC000842702249 661349960 /nfs/dbraw/zinc/34/99/60/661349960.db2.gz HXCWFOCSXIIWSO-UHFFFAOYSA-N 1 0 376.375 2.824 20 0 GFADRO COC(=O)c1cc(S(=O)(=O)N2CCC[C@@H](C)[C@H]2C[NH3+])c(Cl)cc1Cl ZINC000842723165 661351271 /nfs/dbraw/zinc/35/12/71/661351271.db2.gz ZMEXTUIBXHSWMO-NOZJJQNGSA-N 1 0 395.308 2.528 20 0 GFADRO COC(=O)c1cc(S(=O)(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)c(Cl)cc1Cl ZINC000842726893 661351404 /nfs/dbraw/zinc/35/14/04/661351404.db2.gz QTXWNQRVHRPLJP-UWVGGRQHSA-N 1 0 395.308 2.528 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H]2CN(S(=O)(=O)/C=C/c3ccc(Br)cc3)C[C@@H]21 ZINC000842793715 661354490 /nfs/dbraw/zinc/35/44/90/661354490.db2.gz MYWHVSQFISSYQJ-CBASEHASSA-N 1 0 385.327 2.809 20 0 GFADRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)Nc1ccc2cc(Br)ccc2c1 ZINC000843049085 661365225 /nfs/dbraw/zinc/36/52/25/661365225.db2.gz GYMOMXNJSLLKSI-GHMZBOCLSA-N 1 0 378.270 2.783 20 0 GFADRO C[C@@](O)(C[NH2+]C[C@H](CO)Cc1ccco1)c1ccc(Br)cc1F ZINC000843058901 661365450 /nfs/dbraw/zinc/36/54/50/661365450.db2.gz BKGJRPRSYLSMHJ-SJKOYZFVSA-N 1 0 386.261 2.830 20 0 GFADRO Cc1cc(Cl)cc(NC(=O)C(=O)NCCCCCC[NH3+])c1Br ZINC000843054167 661365457 /nfs/dbraw/zinc/36/54/57/661365457.db2.gz ZVAMAZLOVNMXBG-UHFFFAOYSA-N 1 0 390.709 2.985 20 0 GFADRO COc1cccc([C@@H](O)C[NH2+]C[C@H](O)c2ccc(F)c(Br)c2)c1 ZINC000843068288 661365933 /nfs/dbraw/zinc/36/59/33/661365933.db2.gz LYBFAKQYEZRTKY-IRXDYDNUSA-N 1 0 384.245 2.953 20 0 GFADRO COc1cccc([C@H](O)C[NH2+]C[C@@H](O)c2ccc(F)c(Br)c2)c1 ZINC000843068285 661365956 /nfs/dbraw/zinc/36/59/56/661365956.db2.gz LYBFAKQYEZRTKY-IAGOWNOFSA-N 1 0 384.245 2.953 20 0 GFADRO COc1cc(OC)cc([C@H](O)C[NH2+]C[C@H](O)c2ccc(Br)cc2)c1 ZINC000843065469 661366026 /nfs/dbraw/zinc/36/60/26/661366026.db2.gz FQUZMQVUAJHDDV-ZWKOTPCHSA-N 1 0 396.281 2.823 20 0 GFADRO COc1cccc([C@@H](O)C[NH2+]C[C@H](O)COc2cccc(Br)c2)c1 ZINC000843068391 661366178 /nfs/dbraw/zinc/36/61/78/661366178.db2.gz MZIHVUGBKRWFRO-YJBOKZPZSA-N 1 0 396.281 2.521 20 0 GFADRO O[C@@H](C[NH2+]C[C@@H](O)c1ccccc1Br)COCc1ccccc1F ZINC000843092450 661367348 /nfs/dbraw/zinc/36/73/48/661367348.db2.gz DAVZJCWGLBFCRO-KBXCAEBGSA-N 1 0 398.272 2.789 20 0 GFADRO Cc1nc(C[NH2+]C[C@@H](O)COc2ccc(Br)cc2)ccc1[C@H](C)O ZINC000843106061 661368357 /nfs/dbraw/zinc/36/83/57/661368357.db2.gz KGFDEUGLMFCTCF-XJKSGUPXSA-N 1 0 395.297 2.735 20 0 GFADRO O[C@H](C[NH2+]C[C@H](O)c1cccc(Br)c1)COc1ccc(F)cc1 ZINC000843110841 661368536 /nfs/dbraw/zinc/36/85/36/661368536.db2.gz BVYRZDKYLRDGDH-WBVHZDCISA-N 1 0 384.245 2.651 20 0 GFADRO O=C1[C@@H](c2nc(C3CC[NH2+]CC3)no2)CCN1c1ccccc1Br ZINC000843137880 661370519 /nfs/dbraw/zinc/37/05/19/661370519.db2.gz HTGLOSUHQXKFGY-GFCCVEGCSA-N 1 0 391.269 2.820 20 0 GFADRO O=S(=O)(Cc1noc(CC2CC[NH2+]CC2)n1)c1cc(Cl)ccc1Cl ZINC000843199439 661371748 /nfs/dbraw/zinc/37/17/48/661371748.db2.gz CIANCHQUBXHUOD-UHFFFAOYSA-N 1 0 390.292 2.892 20 0 GFADRO [NH3+]CCCCCCNC(=O)C(=O)N1CCC[C@@H]1c1cccc(Br)c1 ZINC000843259934 661374741 /nfs/dbraw/zinc/37/47/41/661374741.db2.gz BAMWWNSLWUJEQI-MRXNPFEDSA-N 1 0 396.329 2.748 20 0 GFADRO Cc1cc([C@@H]([NH3+])CC(=O)Nc2ccc(CS(C)(=O)=O)cc2)cc(Cl)n1 ZINC000843408041 661380150 /nfs/dbraw/zinc/38/01/50/661380150.db2.gz SWKONLCUAOHWLA-HNNXBMFYSA-N 1 0 381.885 2.617 20 0 GFADRO CS(=O)(=O)c1cc(C(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)ccc1Cl ZINC000843481498 661382939 /nfs/dbraw/zinc/38/29/39/661382939.db2.gz JFIPDQRUCRZUNX-HUUCEWRRSA-N 1 0 384.929 2.595 20 0 GFADRO O=C(CO[C@H]1CCC[NH2+]C1)NCCc1cc(Cl)ccc1Br ZINC000843494860 661383244 /nfs/dbraw/zinc/38/32/44/661383244.db2.gz LOAOHXSMCKAJSD-ZDUSSCGKSA-N 1 0 375.694 2.530 20 0 GFADRO COCC[C@@H](NC(=O)CO[C@@H]1CCC[NH2+]C1)c1ccc(Cl)c(Cl)c1 ZINC000843500186 661383570 /nfs/dbraw/zinc/38/35/70/661383570.db2.gz QXBOMCHDNLDWCP-CZUORRHYSA-N 1 0 375.296 2.956 20 0 GFADRO Cc1cc(N2C[C@@H](C(=O)NCCCCCC[NH3+])CC2=O)ccc1Br ZINC000843508999 661383667 /nfs/dbraw/zinc/38/36/67/661383667.db2.gz BAQSJUWDALPULY-AWEZNQCLSA-N 1 0 396.329 2.746 20 0 GFADRO Cn1nc2cc(Br)ccc2c1C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000843560571 661385306 /nfs/dbraw/zinc/38/53/06/661385306.db2.gz MXDTZRRKJQVJPP-CHWSQXEVSA-N 1 0 379.302 2.938 20 0 GFADRO CCCN(C(=O)COc1ccc(C=O)cc1Br)[C@H]1CC[N@H+](C)C1 ZINC000843991072 661399501 /nfs/dbraw/zinc/39/95/01/661399501.db2.gz HXAYFCFIQAZELJ-AWEZNQCLSA-N 1 0 383.286 2.583 20 0 GFADRO CCCS(=O)(=O)CC[N@@H+]1CCC[C@H](C)[C@H]1CCNC(=O)OC(C)(C)C ZINC000844395074 661418278 /nfs/dbraw/zinc/41/82/78/661418278.db2.gz BFVCDQUYJRMTDE-JKSUJKDBSA-N 1 0 376.563 2.827 20 0 GFADRO COCC[N@@H+]1CCN(C[C@@H](O)c2ccc(F)c(Br)c2)C(C)(C)C1 ZINC000844431233 661420616 /nfs/dbraw/zinc/42/06/16/661420616.db2.gz CEIWTHQSLQPMLL-MRXNPFEDSA-N 1 0 389.309 2.664 20 0 GFADRO CC[N@H+](C)C[C@@H]1CCN(CN2CC(c3ccc(Br)cc3)=CC2=O)C1 ZINC000844693609 661434262 /nfs/dbraw/zinc/43/42/62/661434262.db2.gz FLJWYLHRYPDENQ-HNNXBMFYSA-N 1 0 392.341 2.906 20 0 GFADRO CC[N@H+](C[C@H]1CCOC1)CN1CC(c2ccc(Br)cc2)=CC1=O ZINC000844695569 661434657 /nfs/dbraw/zinc/43/46/57/661434657.db2.gz VWKSMKHDCQTYTL-CQSZACIVSA-N 1 0 379.298 2.991 20 0 GFADRO C[NH+](C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)OCc1cnc(Cl)s1 ZINC000845239527 661462623 /nfs/dbraw/zinc/46/26/23/661462623.db2.gz GNZMJGXDUXMKQP-LLVKDONJSA-N 1 0 377.894 2.685 20 0 GFADRO C[NH+](C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)OC[C@]1(C)CC1(Cl)Cl ZINC000845240136 661462830 /nfs/dbraw/zinc/46/28/30/661462830.db2.gz SIEVLZCTWURUBR-ABAIWWIYSA-N 1 0 383.316 2.959 20 0 GFADRO CN(C)S(=O)(=O)c1cc(C(=O)OC[C@@H]2CC[N@@H+]2C(C)(C)C)ccc1Cl ZINC000845739777 661494969 /nfs/dbraw/zinc/49/49/69/661494969.db2.gz JZKUBIFRLIFLAP-ZDUSSCGKSA-N 1 0 388.917 2.620 20 0 GFADRO O=C(NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1snc(Cl)c1Cl ZINC000845832041 661499434 /nfs/dbraw/zinc/49/94/34/661499434.db2.gz OOACJELKEKWYMY-QWRGUYRKSA-N 1 0 378.325 2.948 20 0 GFADRO CC[NH+](CC)CCS(=O)(=O)Oc1ccc(C(C)=O)cc1Br ZINC000845991112 661519457 /nfs/dbraw/zinc/51/94/57/661519457.db2.gz WCLKVGFPTZBPBL-UHFFFAOYSA-N 1 0 378.288 2.702 20 0 GFADRO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCN(C(=O)Nc3ncc(C(F)(F)F)s3)C2)C1 ZINC000846307439 661544111 /nfs/dbraw/zinc/54/41/11/661544111.db2.gz BJHFOBJTNGQGCM-HBNTYKKESA-N 1 0 378.420 2.912 20 0 GFADRO Cc1cnc(Br)cc1NC(=O)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000846317285 661544889 /nfs/dbraw/zinc/54/48/89/661544889.db2.gz RNIPPKWGGDSCOR-YDHLFZDLSA-N 1 0 397.317 2.903 20 0 GFADRO C[C@](O)(CNC(=O)[C@@](C)([NH3+])c1ccc(Br)cc1)c1ccsc1 ZINC000846687966 661561691 /nfs/dbraw/zinc/56/16/91/661561691.db2.gz RCDHHYFFMLEERN-HOTGVXAUSA-N 1 0 383.311 2.708 20 0 GFADRO O=C([C@H]1CCOc2ccc(Br)cc21)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000846682132 661561756 /nfs/dbraw/zinc/56/17/56/661561756.db2.gz YHKILGLPTRROMI-KSSFIOAISA-N 1 0 379.298 2.917 20 0 GFADRO CCN1C[C@H](C[NH2+]C2(c3ccc(Br)cc3)CCOCC2)OC1=O ZINC000846821532 661566919 /nfs/dbraw/zinc/56/69/19/661566919.db2.gz ULEFDKQHRPPDHG-HNNXBMFYSA-N 1 0 383.286 2.885 20 0 GFADRO Cc1cc(Br)nc(NC(=O)N2CCC[C@@H]([NH+]3CCOCC3)CC2)c1 ZINC000847194041 661581093 /nfs/dbraw/zinc/58/10/93/661581093.db2.gz SBXQKJMUEKLZTR-CQSZACIVSA-N 1 0 397.317 2.871 20 0 GFADRO C[NH+](C)CCOc1ccccc1CNC(=O)c1nc(F)ccc1Br ZINC000847404435 661590825 /nfs/dbraw/zinc/59/08/25/661590825.db2.gz CFJWTKSOLIPAQY-UHFFFAOYSA-N 1 0 396.260 2.854 20 0 GFADRO O=C(NC[C@H](O)c1cccc(Br)c1)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000847446910 661592694 /nfs/dbraw/zinc/59/26/94/661592694.db2.gz KWACPYSKUWQPNW-IKGGRYGDSA-N 1 0 396.329 2.799 20 0 GFADRO O=C(NC1CC[NH+](Cc2cccnc2)CC1)c1cnc(F)c(Br)c1 ZINC000847497549 661594713 /nfs/dbraw/zinc/59/47/13/661594713.db2.gz BSKUVGZYQWMIBJ-UHFFFAOYSA-N 1 0 393.260 2.773 20 0 GFADRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1nc(Cl)sc1Cl ZINC000847587694 661600106 /nfs/dbraw/zinc/60/01/06/661600106.db2.gz BISIVGVBTIHVTF-MNOVXSKESA-N 1 0 378.325 2.948 20 0 GFADRO CC[NH+](CC)CCOCCNC(=O)c1cnc(Cl)c(Br)c1 ZINC000847726693 661607728 /nfs/dbraw/zinc/60/77/28/661607728.db2.gz WVAJYLUJMPUDOC-UHFFFAOYSA-N 1 0 378.698 2.586 20 0 GFADRO C[N@@H+]1CC[C@H](CCOC(=O)[C@@H]2CC(=O)N(c3cccc(Br)c3)C2)C1 ZINC000847824016 661612404 /nfs/dbraw/zinc/61/24/04/661612404.db2.gz JRROQSMJXGCQJH-ZIAGYGMSSA-N 1 0 395.297 2.687 20 0 GFADRO C[N@@H+]1CC[C@@H](CCOC(=O)[C@@H]2CCN(c3ccccc3Br)C2=O)C1 ZINC000847825834 661612435 /nfs/dbraw/zinc/61/24/35/661612435.db2.gz RQOHZQGNWUUYCW-UONOGXRCSA-N 1 0 395.297 2.687 20 0 GFADRO COCC[NH+]1CCC(OC(=O)c2ccc(I)cc2)CC1 ZINC000847880970 661615096 /nfs/dbraw/zinc/61/50/96/661615096.db2.gz WZLMKNYNCAIKLB-UHFFFAOYSA-N 1 0 389.233 2.559 20 0 GFADRO O=S(=O)(N1CCC(C[NH2+]Cc2ccc3[nH]ccc3c2)CC1)C(F)(F)F ZINC000848535656 661662697 /nfs/dbraw/zinc/66/26/97/661662697.db2.gz IPONKZAKIYVOBQ-UHFFFAOYSA-N 1 0 375.416 2.819 20 0 GFADRO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]C[C@H]1CN(C2CC2)C(=O)O1 ZINC000848570810 661665089 /nfs/dbraw/zinc/66/50/89/661665089.db2.gz NXXZYWSTWOIEKV-ABAIWWIYSA-N 1 0 396.285 2.739 20 0 GFADRO COC[C@H](CC(C)(C)C)[NH2+]Cc1c(C)nn([C@@H]2CCS(=O)(=O)C2)c1Cl ZINC000848566891 661665266 /nfs/dbraw/zinc/66/52/66/661665266.db2.gz LNBUAKXCXWHSAI-UONOGXRCSA-N 1 0 391.965 2.745 20 0 GFADRO O=S(=O)(Cc1noc([C@H]2C[C@]23CCC[NH2+]C3)n1)Cc1ccc(Cl)cc1 ZINC000848629730 661668847 /nfs/dbraw/zinc/66/88/47/661668847.db2.gz FOBCOWMXSHSICY-PBHICJAKSA-N 1 0 381.885 2.695 20 0 GFADRO Ic1ccc(OCc2noc(CC[NH2+]C3CC3)n2)cc1 ZINC000848633098 661669120 /nfs/dbraw/zinc/66/91/20/661669120.db2.gz ZQIONEHLCOTVFU-UHFFFAOYSA-N 1 0 385.205 2.548 20 0 GFADRO CCOc1cc(C[NH2+]C[C@H]2CN(C3CC3)C(=O)O2)cc(Br)c1O ZINC000848929402 661689359 /nfs/dbraw/zinc/68/93/59/661689359.db2.gz DOFZHNXXGIGFTK-LBPRGKRZSA-N 1 0 385.258 2.626 20 0 GFADRO Cn1nc(C(F)(F)F)c(CN2CCC[C@H]([NH+]3CCOCC3)CC2)c1Cl ZINC000848930232 661689647 /nfs/dbraw/zinc/68/96/47/661689647.db2.gz OTSDNAJLBDGMKC-LBPRGKRZSA-N 1 0 380.842 2.779 20 0 GFADRO Cc1c(Br)cccc1C[C@H](CO)CNC(=[NH2+])Nc1ccccn1 ZINC000849117308 661693827 /nfs/dbraw/zinc/69/38/27/661693827.db2.gz ZCPLHXKASGCIIY-ZDUSSCGKSA-N 1 0 377.286 2.940 20 0 GFADRO C[C@H]1CCC[N@H+](CCN2C(=O)N[C@H](c3ccccc3Br)C2=O)C1 ZINC000849351608 661708597 /nfs/dbraw/zinc/70/85/97/661708597.db2.gz JILVOTGVYKUSNL-SWLSCSKDSA-N 1 0 380.286 2.774 20 0 GFADRO Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)NCc2ccc(Br)s2)cn1 ZINC000849495160 661733894 /nfs/dbraw/zinc/73/38/94/661733894.db2.gz BOJJGTLPAWJZJP-UONOGXRCSA-N 1 0 397.342 2.596 20 0 GFADRO Cc1cc(NC(=O)[C@H]2CC[N@@H+](C)C[C@@H]2c2cnn(C)c2)cnc1Br ZINC000849573990 661734672 /nfs/dbraw/zinc/73/46/72/661734672.db2.gz UFSQGMFQEQBRSF-LSDHHAIUSA-N 1 0 392.301 2.560 20 0 GFADRO CC(C)[N@@H+]1CC[C@H](C(=O)NCc2cnc(Cl)s2)[C@H](c2cnn(C)c2)C1 ZINC000849585386 661734883 /nfs/dbraw/zinc/73/48/83/661734883.db2.gz LNQWMYROKDSQHA-GJZGRUSLSA-N 1 0 381.933 2.660 20 0 GFADRO CSC(C)(C)C(=O)OCC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000849986721 661759833 /nfs/dbraw/zinc/75/98/33/661759833.db2.gz GJFYOLNGTQNKPV-UHFFFAOYSA-N 1 0 382.551 2.859 20 0 GFADRO O=S(=O)(N1CCC([NH2+]Cc2ccc(F)c(F)c2F)CC1)C(F)(F)F ZINC000850183853 661766912 /nfs/dbraw/zinc/76/69/12/661766912.db2.gz IRMJUFBSAVAIKB-UHFFFAOYSA-N 1 0 376.322 2.508 20 0 GFADRO COc1cncc(C[NH2+]C[C@H](CO)Cc2cc(Br)ccc2F)c1 ZINC000850318081 661770126 /nfs/dbraw/zinc/77/01/26/661770126.db2.gz OVFQREGZVGPRDJ-CYBMUJFWSA-N 1 0 383.261 2.933 20 0 GFADRO CC[N@H+](CCNC(=O)C(=O)Nc1ccc(F)c(Br)c1F)C(C)C ZINC000850375600 661773425 /nfs/dbraw/zinc/77/34/25/661773425.db2.gz JYPJFKPEZUINAW-UHFFFAOYSA-N 1 0 392.244 2.512 20 0 GFADRO C[C@H]([NH2+]CCNC(=O)c1ccc(Br)cn1)c1ccc2c(c1)CCO2 ZINC000850491839 661778754 /nfs/dbraw/zinc/77/87/54/661778754.db2.gz AGGJHFDCLQIEKS-LBPRGKRZSA-N 1 0 390.281 2.860 20 0 GFADRO C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]CC[S@](=O)CC(F)(F)F ZINC000850490863 661778941 /nfs/dbraw/zinc/77/89/41/661778941.db2.gz IDFPMPLYGHJKQR-VDBVYFBLSA-N 1 0 398.878 2.978 20 0 GFADRO CCc1noc(C)c1[C@@H](C)[NH2+]CCNC(=O)c1ccc(Br)cn1 ZINC000850493181 661779214 /nfs/dbraw/zinc/77/92/14/661779214.db2.gz HSWRSLMQCWZECS-SNVBAGLBSA-N 1 0 381.274 2.784 20 0 GFADRO C[C@H]([NH2+]CCNC(=O)c1ccc(Br)cn1)c1ccc(Cl)nc1 ZINC000850494377 661779356 /nfs/dbraw/zinc/77/93/56/661779356.db2.gz OIHUXDGXBRGGIP-JTQLQIEISA-N 1 0 383.677 2.973 20 0 GFADRO Cc1nc(Cl)ccc1S(=O)(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H]([NH3+])C1 ZINC000850593266 661783029 /nfs/dbraw/zinc/78/30/29/661783029.db2.gz ZDFMFDQHRGTWDP-CABCVRRESA-N 1 0 383.876 2.688 20 0 GFADRO COCC[NH+]1CCC(OC(=O)c2ccc(C(F)(F)Br)nc2)CC1 ZINC000851114487 661806961 /nfs/dbraw/zinc/80/69/61/661806961.db2.gz JRHXGQLSFWPKCZ-UHFFFAOYSA-N 1 0 393.228 2.793 20 0 GFADRO [NH3+][C@H]1CCc2ncc(NC(=O)c3ccc(C(F)(F)Br)nc3)cc2C1 ZINC000851635058 661827262 /nfs/dbraw/zinc/82/72/62/661827262.db2.gz LZJHLMUDLRSHML-NSHDSACASA-N 1 0 397.223 2.989 20 0 GFADRO Cc1ccccc1C[N@@H+]1CCCN(CCn2cnc(Br)n2)CC1 ZINC000851719953 661829004 /nfs/dbraw/zinc/82/90/04/661829004.db2.gz WUOOPGUWAQBENZ-UHFFFAOYSA-N 1 0 378.318 2.557 20 0 GFADRO NC(=O)[C@@](O)(C[N@@H+]1CCC[C@H]1c1cccc(Br)c1)c1ccccc1 ZINC000851731291 661829504 /nfs/dbraw/zinc/82/95/04/661829504.db2.gz NPOMIRWKCVKMBJ-PKOBYXMFSA-N 1 0 389.293 2.959 20 0 GFADRO CCOP(=O)(OCC)[C@H](O)C[N@@H+]1CCN(C(=O)OC(C)(C)C)C[C@H]1C ZINC000851766411 661831092 /nfs/dbraw/zinc/83/10/92/661831092.db2.gz BRQVWQCGENVJNI-KGLIPLIRSA-N 1 0 380.422 2.512 20 0 GFADRO C[C@H]1CC[N@H+](Cc2ccccc2)CCN1CCn1cnc(Br)n1 ZINC000851799901 661832554 /nfs/dbraw/zinc/83/25/54/661832554.db2.gz UYCQWDXDGCFRTA-HNNXBMFYSA-N 1 0 378.318 2.637 20 0 GFADRO CC[C@H](CC(F)F)C[NH+]1CCN(c2ccc(NS(C)(=O)=O)cc2)CC1 ZINC000851886357 661843314 /nfs/dbraw/zinc/84/33/14/661843314.db2.gz QCCJQEZGGQZPQV-CQSZACIVSA-N 1 0 375.485 2.862 20 0 GFADRO C[C@H]([NH2+]CCn1cnc(Br)n1)c1cccc(N2CCCC2=O)c1 ZINC000851899519 661845073 /nfs/dbraw/zinc/84/50/73/661845073.db2.gz YWGKUUMFCKIAJA-LBPRGKRZSA-N 1 0 378.274 2.518 20 0 GFADRO COc1ccc(C[N@H+](CCn2cnc(Br)n2)[C@H](CO)C(C)C)cc1 ZINC000851912202 661845744 /nfs/dbraw/zinc/84/57/44/661845744.db2.gz NQVMYMLTWGYPAY-MRXNPFEDSA-N 1 0 397.317 2.568 20 0 GFADRO O[C@@H](CN1CCC[C@H]([NH+]2CCOCC2)CC1)c1ccccc1Br ZINC000852009359 661849030 /nfs/dbraw/zinc/84/90/30/661849030.db2.gz MDHQOTGZQZYTGL-YJBOKZPZSA-N 1 0 383.330 2.669 20 0 GFADRO Oc1cccc(C[N@@H+](CCn2cnc(Br)n2)[C@H]2CC[C@H](O)CC2)c1 ZINC000852181555 661855895 /nfs/dbraw/zinc/85/58/95/661855895.db2.gz CORQLAJBQXTCFX-SHTZXODSSA-N 1 0 395.301 2.552 20 0 GFADRO O=C(NCC1CC[NH+](C2CCOCC2)CC1)N1CCC=C(Br)C1 ZINC000852428719 661863627 /nfs/dbraw/zinc/86/36/27/661863627.db2.gz SPCQVEZLTRAPSM-UHFFFAOYSA-N 1 0 386.334 2.572 20 0 GFADRO C[N@H+](C[C@H]1COCCO1)C[C@@](C)(O)c1ccc(Br)cc1Cl ZINC000852498714 661865836 /nfs/dbraw/zinc/86/58/36/661865836.db2.gz PCHPYDGPAZDVJV-SWLSCSKDSA-N 1 0 378.694 2.657 20 0 GFADRO CO[C@@H](CC(C)C)C[NH+]1CCC(n2nncc2I)CC1 ZINC000852532058 661866350 /nfs/dbraw/zinc/86/63/50/661866350.db2.gz CEAHKHQJIAJLQE-ZDUSSCGKSA-N 1 0 392.285 2.581 20 0 GFADRO CC(C)(C)OC(=O)NCC[C@@H](O)C[NH2+][C@H](CO)c1cccc(Cl)c1Cl ZINC000852679678 661871202 /nfs/dbraw/zinc/87/12/02/661871202.db2.gz XXAZQBGQRSIPLB-BXUZGUMPSA-N 1 0 393.311 2.892 20 0 GFADRO CCOC(=O)CC1([NH2+]Cc2c(Cl)n(C)nc2C(F)(F)F)CCOCC1 ZINC000852726411 661872137 /nfs/dbraw/zinc/87/21/37/661872137.db2.gz NMWBEOCLQFRNBA-UHFFFAOYSA-N 1 0 383.798 2.684 20 0 GFADRO O=C(C=C1CC[NH2+]CC1)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000852809577 661875106 /nfs/dbraw/zinc/87/51/06/661875106.db2.gz IMACNXGTEJBBBI-UHFFFAOYSA-N 1 0 382.291 2.588 20 0 GFADRO O=C(C=C1CC[NH2+]CC1)Nc1ccnn1Cc1cccc(Br)c1 ZINC000852815855 661875112 /nfs/dbraw/zinc/87/51/12/661875112.db2.gz CIALKQVFBHLKPO-UHFFFAOYSA-N 1 0 375.270 2.942 20 0 GFADRO [NH3+]C[C@H]1CCCc2ccc(C(=O)N3CCn4c(Br)cnc4C3)cc21 ZINC000852822487 661875226 /nfs/dbraw/zinc/87/52/26/661875226.db2.gz QCSNEROPTPOYTB-CQSZACIVSA-N 1 0 389.297 2.680 20 0 GFADRO COc1ccc(CCC(=O)N2CCC3(C2)CC[NH2+]CC3)c(Br)c1 ZINC000852827549 661875469 /nfs/dbraw/zinc/87/54/69/661875469.db2.gz KNNOIZLJGUAQOL-UHFFFAOYSA-N 1 0 381.314 2.992 20 0 GFADRO [NH3+][C@H](CC(=O)NCc1cc(Cl)ccc1I)C1CC1 ZINC000852843968 661875700 /nfs/dbraw/zinc/87/57/00/661875700.db2.gz LIFBWYYLOKNDQY-GFCCVEGCSA-N 1 0 378.641 2.688 20 0 GFADRO CC(C)[C@H]([NH3+])CCNC(=O)c1cc(S(=O)(=O)NC(C)(C)C)ccc1Cl ZINC000852868585 661875903 /nfs/dbraw/zinc/87/59/03/661875903.db2.gz SKGGOTMNEPSEDA-OAHLLOKOSA-N 1 0 389.949 2.520 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)c3cnn(-c4ccccc4)c3Br)C[C@@H]21 ZINC000852876364 661876195 /nfs/dbraw/zinc/87/61/95/661876195.db2.gz ZMKXIFYYNZIKTL-UHOFOFEASA-N 1 0 389.297 2.834 20 0 GFADRO COC(=O)c1sc2c(c1Br)CN(C(=O)CCCCC[NH3+])C2 ZINC000852924898 661877140 /nfs/dbraw/zinc/87/71/40/661877140.db2.gz WLXAYRHGFHDWJQ-UHFFFAOYSA-N 1 0 375.288 2.659 20 0 GFADRO CN(Cc1ccccc1Br)C(=O)CC[NH2+]C[C@H](O)c1ccccn1 ZINC000853099987 661882307 /nfs/dbraw/zinc/88/23/07/661882307.db2.gz XITGFBGDXAHUKE-KRWDZBQOSA-N 1 0 392.297 2.516 20 0 GFADRO COC(=O)[C@H]1C[C@H]([NH2+]C[C@](C)(O)c2ccc(Br)cc2Cl)C1 ZINC000853130432 661883158 /nfs/dbraw/zinc/88/31/58/661883158.db2.gz YTFZGVRPJHELAP-ZSGNIPIJSA-N 1 0 376.678 2.851 20 0 GFADRO Fc1ncnc(Sc2nnc([C@H]3CCC[NH2+]C3)n2C2CC2)c1Br ZINC000853350882 661887838 /nfs/dbraw/zinc/88/78/38/661887838.db2.gz XYEWWJDTLUAOFX-QMMMGPOBSA-N 1 0 399.293 2.923 20 0 GFADRO O[C@@H]1CC[N@H+](Cc2ccc(CNc3ncnc(F)c3Br)cc2)C1 ZINC000853794503 661901132 /nfs/dbraw/zinc/90/11/32/661901132.db2.gz HZRNAZCORHEZBF-CYBMUJFWSA-N 1 0 381.249 2.557 20 0 GFADRO C[C@@H]1COCC[N@@H+]1C1CCN(C(=O)/C=C\c2ccc(Br)o2)CC1 ZINC000854569570 661940041 /nfs/dbraw/zinc/94/00/41/661940041.db2.gz WUDQCJGIBRLIOV-HSBHDXMMSA-N 1 0 383.286 2.767 20 0 GFADRO CC(C)(C)n1ncc(C(=O)NCc2ccc3c[nH+]cn3c2)c1Br ZINC000854909282 661960572 /nfs/dbraw/zinc/96/05/72/661960572.db2.gz VLFLAUITRDKEJM-UHFFFAOYSA-N 1 0 376.258 2.978 20 0 GFADRO CN(C(=O)c1csc(I)n1)C(C)(C)C[NH+]1CCCC1 ZINC000854958236 661963044 /nfs/dbraw/zinc/96/30/44/661963044.db2.gz ODAOFEGLPVHYSN-UHFFFAOYSA-N 1 0 393.294 2.694 20 0 GFADRO C[NH+](C)C1CCC(NC(=O)[C@]2(C)CC2(Br)Br)CC1 ZINC000854962972 661963684 /nfs/dbraw/zinc/96/36/84/661963684.db2.gz FINHXSIBWHSPQJ-CBINBANVSA-N 1 0 382.140 2.872 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+](C2CCCCC2)C1)c1c(Br)nc2n1CCC2 ZINC000855812724 662009009 /nfs/dbraw/zinc/00/90/09/662009009.db2.gz WPAFYRHLJRZSDA-GFCCVEGCSA-N 1 0 381.318 2.729 20 0 GFADRO O=C([C@@H]1CC[N@@H+](C2CCCCC2)C1)N1CCn2ncc(Br)c2C1 ZINC000856010163 662014958 /nfs/dbraw/zinc/01/49/58/662014958.db2.gz BLRJRBWBDIYHQL-CYBMUJFWSA-N 1 0 381.318 2.642 20 0 GFADRO C[NH+](C)CCC[C@@H]1CN(C(=O)[C@H](O)c2cc(Cl)cc(Cl)c2)CCO1 ZINC000856430593 662033627 /nfs/dbraw/zinc/03/36/27/662033627.db2.gz ZKDJIQIQXZMNOH-HZPDHXFCSA-N 1 0 375.296 2.596 20 0 GFADRO C[NH+](C)CCC[C@@H]1CN(C(=O)[C@@H](O)c2cc(Cl)cc(Cl)c2)CCO1 ZINC000856430591 662033637 /nfs/dbraw/zinc/03/36/37/662033637.db2.gz ZKDJIQIQXZMNOH-CVEARBPZSA-N 1 0 375.296 2.596 20 0 GFADRO O=C(NC[C@H]1CCC[N@H+](CC2CC2)C1)c1sccc1S(=O)(=O)C(F)F ZINC000856477633 662035313 /nfs/dbraw/zinc/03/53/13/662035313.db2.gz SBRWKNIVIYRBOV-GFCCVEGCSA-N 1 0 392.493 2.596 20 0 GFADRO COc1cc(/C=C\C(=O)N2CC[NH2+][C@@H](C(C)C)C2)cc(Br)c1O ZINC000856485175 662035812 /nfs/dbraw/zinc/03/58/12/662035812.db2.gz LVECSLOBUZFPOU-ZRUQZJFASA-N 1 0 383.286 2.633 20 0 GFADRO O=C(NCC[C@H]1CC1(Cl)Cl)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000856847346 662047345 /nfs/dbraw/zinc/04/73/45/662047345.db2.gz NSLHGUPIIUXYOD-HOTGVXAUSA-N 1 0 386.323 2.636 20 0 GFADRO O=C(NCC[C@@H]1CC1(Cl)Cl)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000856878865 662049107 /nfs/dbraw/zinc/04/91/07/662049107.db2.gz CWDYAABDIXNUPA-SNPRPXQTSA-N 1 0 378.344 2.637 20 0 GFADRO C[NH+](C)Cc1ccc(NC(=O)c2c(Br)nc3n2CCOC3)c(F)c1 ZINC000857288965 662072246 /nfs/dbraw/zinc/07/22/46/662072246.db2.gz NWBHUHUVRONLCV-UHFFFAOYSA-N 1 0 397.248 2.629 20 0 GFADRO C[NH+](C)CCC[C@@H]1CN(C(=O)c2cnc(Br)c(Cl)c2)CCO1 ZINC000857680174 662086768 /nfs/dbraw/zinc/08/67/68/662086768.db2.gz CCVIOZMLWGTQFK-GFCCVEGCSA-N 1 0 390.709 2.680 20 0 GFADRO [NH3+][C@@H]1CN(C(=O)c2nc(C3CC3)ncc2Br)C[C@H]1c1ccccc1 ZINC000857767317 662090182 /nfs/dbraw/zinc/09/01/82/662090182.db2.gz AJDSMDDVUSXEDN-DZGCQCFKSA-N 1 0 387.281 2.683 20 0 GFADRO CCC(=O)N[C@@H](C)C(=O)N1C[C@@H]([NH+](C)C)CCc2cc(Br)ccc21 ZINC000857881184 662093391 /nfs/dbraw/zinc/09/33/91/662093391.db2.gz RNBYDOHPWWJNBC-WFASDCNBSA-N 1 0 396.329 2.573 20 0 GFADRO COc1cccc(N2CC[C@@H](C[NH2+]Cc3cn(C)nc3Br)C2)c1 ZINC000858123044 662099718 /nfs/dbraw/zinc/09/97/18/662099718.db2.gz OADHVPNYTQGEJI-ZDUSSCGKSA-N 1 0 379.302 2.807 20 0 GFADRO Cc1nn(Cc2ccccc2Cl)c(Cl)c1C[NH2+]C[C@H]1COCCN1C ZINC000858276653 662107041 /nfs/dbraw/zinc/10/70/41/662107041.db2.gz UBIKCHNYSWWESK-HNNXBMFYSA-N 1 0 383.323 2.967 20 0 GFADRO CC[NH+]1CCN(CCCNC(=O)/C=C/c2csc(C(F)(F)F)c2)CC1 ZINC000858463100 662112391 /nfs/dbraw/zinc/11/23/91/662112391.db2.gz UJYJIJXNDQWNCC-SNAWJCMRSA-N 1 0 375.460 2.924 20 0 GFADRO Cc1cc(N2CC[C@H](Nc3cc[nH+]c(CO)c3)C2=O)ccc1Br ZINC000858486416 662113148 /nfs/dbraw/zinc/11/31/48/662113148.db2.gz PKQSTRFCJAKEIC-INIZCTEOSA-N 1 0 376.254 2.862 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1CCCNS(=O)(=O)c1ccc(Br)nc1F ZINC000858882480 662125854 /nfs/dbraw/zinc/12/58/54/662125854.db2.gz DNNRNXVPJOZBBG-LLVKDONJSA-N 1 0 394.310 2.526 20 0 GFADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)OCc3ccc(Br)cc3)CC2)C1 ZINC000858986098 662130718 /nfs/dbraw/zinc/13/07/18/662130718.db2.gz YMHOIIBHDKSPKT-KRWDZBQOSA-N 1 0 396.329 2.798 20 0 GFADRO CC[C@@H](C[NH+]1CCCC1)NS(=O)(=O)c1ccc(NC(=O)OC)c(Cl)c1 ZINC000859054985 662134283 /nfs/dbraw/zinc/13/42/83/662134283.db2.gz AKRWCSNPASVFMP-LBPRGKRZSA-N 1 0 389.905 2.671 20 0 GFADRO O=C1Nc2ccc(Br)cc2CC[C@H]1[N@@H+]1CCC[C@@H](C2OCCO2)C1 ZINC000859117875 662138794 /nfs/dbraw/zinc/13/87/94/662138794.db2.gz XEVGHCNABTYPSG-CZUORRHYSA-N 1 0 395.297 2.787 20 0 GFADRO CCN(CCC[NH+](CC)CC)S(=O)(=O)c1ccc(Br)nc1F ZINC000859126266 662139383 /nfs/dbraw/zinc/13/93/83/662139383.db2.gz DLCQQDQNUNMZMH-UHFFFAOYSA-N 1 0 396.326 2.726 20 0 GFADRO COC(=O)[C@]12CN(Cc3ccc(Br)c(F)c3F)C[C@H]1COCC2 ZINC000859291212 662150421 /nfs/dbraw/zinc/15/04/21/662150421.db2.gz XWPLYJJCHQYDIS-MEDUHNTESA-N 1 0 390.224 2.739 20 0 GFADRO C[C@H]1CC[C@@H](NC(=O)Nc2cnc(Br)c(Br)c2)C[NH2+]1 ZINC000859660770 662171502 /nfs/dbraw/zinc/17/15/02/662171502.db2.gz STPRVGCGFSAFKF-JGVFFNPUSA-N 1 0 392.095 2.869 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)Nc2cccnc2Br)CC[C@H]1C(F)(F)F ZINC000859664147 662171590 /nfs/dbraw/zinc/17/15/90/662171590.db2.gz ZXNQNHDQGAVZEQ-DTWKUNHWSA-N 1 0 381.196 2.835 20 0 GFADRO Cc1cc(NC(=O)N2CCC(CO[C@@H]3CC[NH2+]C3)CC2)cnc1Br ZINC000859675367 662172002 /nfs/dbraw/zinc/17/20/02/662172002.db2.gz HFZIFMFMXKNFDY-OAHLLOKOSA-N 1 0 397.317 2.775 20 0 GFADRO Cc1cc(NC(=O)N2CCC(CO[C@H]3CC[NH2+]C3)CC2)cnc1Br ZINC000859675366 662172108 /nfs/dbraw/zinc/17/21/08/662172108.db2.gz HFZIFMFMXKNFDY-HNNXBMFYSA-N 1 0 397.317 2.775 20 0 GFADRO C[C@H]1C[NH+](CCCCNC(=O)c2cc(Br)cc(C=O)c2)C[C@H](C)O1 ZINC000859940996 662179626 /nfs/dbraw/zinc/17/96/26/662179626.db2.gz ITCVSLFOEMDWJR-KBPBESRZSA-N 1 0 397.313 2.881 20 0 GFADRO CSc1ccc(/C=C/C(=O)OCC(=O)NC2CC[NH+](C3CC3)CC2)s1 ZINC000860289500 662195904 /nfs/dbraw/zinc/19/59/04/662195904.db2.gz GXBRGUOFQVFPPX-GQCTYLIASA-N 1 0 380.535 2.769 20 0 GFADRO COCC[N@H+](C)CCCC1CCN(C(=O)[C@@H]2C[C@]2(C)Br)CC1 ZINC000860508393 662203559 /nfs/dbraw/zinc/20/35/59/662203559.db2.gz ICPYTWVYTZIFLV-RDJZCZTQSA-N 1 0 375.351 2.757 20 0 GFADRO C[C@@H]1CC[C@H](NC(=O)C(=O)Nc2ccc3cc(Br)ccc3c2)C[NH2+]1 ZINC000861523663 662248808 /nfs/dbraw/zinc/24/88/08/662248808.db2.gz JVCDXVWMQVCWNZ-BZNIZROVSA-N 1 0 390.281 2.798 20 0 GFADRO O=C(N[C@H]1C[NH2+]CCC1(F)F)N1CCc2cc(F)cc(Br)c2C1 ZINC000861646012 662253304 /nfs/dbraw/zinc/25/33/04/662253304.db2.gz NQTSOUFETCNIMU-ZDUSSCGKSA-N 1 0 392.219 2.653 20 0 GFADRO CC[C@H](C(=O)N1CC(C[NH+]2CCN(C)CC2)C1)c1ccc(Br)cc1 ZINC000861823718 662260130 /nfs/dbraw/zinc/26/01/30/662260130.db2.gz ANTAUUQXUKNJMN-SFHVURJKSA-N 1 0 394.357 2.649 20 0 GFADRO CC(C)(C(=O)NCC[NH+]1CCC(O)CC1)[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000861922553 662263628 /nfs/dbraw/zinc/26/36/28/662263628.db2.gz MVAGVKBDAWWSBD-INIZCTEOSA-N 1 0 389.323 2.626 20 0 GFADRO C[NH+](C)CCN(Cc1ccsc1)C(=O)c1cnc(C2(C)OCCO2)s1 ZINC000861954447 662265080 /nfs/dbraw/zinc/26/50/80/662265080.db2.gz JKIWAYIZUOZIFH-UHFFFAOYSA-N 1 0 381.523 2.628 20 0 GFADRO O=C([C@H](O)c1ccc(Cl)c(Cl)c1)N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000861987072 662265684 /nfs/dbraw/zinc/26/56/84/662265684.db2.gz VJWBQWDORGUNDL-QGZVFWFLSA-N 1 0 387.307 2.740 20 0 GFADRO CC(C)C[N@H+](C)CCCNC(=O)c1cc(Br)c2ncc(C=O)n2c1 ZINC000862118264 662269623 /nfs/dbraw/zinc/26/96/23/662269623.db2.gz BLVBBWVAXIBORR-UHFFFAOYSA-N 1 0 395.301 2.617 20 0 GFADRO CN(C)[C@]1(C[NH2+]C[C@H]2CC(F)(F)CN2C(=O)OC(C)(C)C)CCSC1 ZINC000862283202 662279272 /nfs/dbraw/zinc/27/92/72/662279272.db2.gz CHJSMLQDAOHGML-CJNGLKHVSA-N 1 0 379.517 2.658 20 0 GFADRO C[C@@]1(Br)C[C@@H]1c1nc(-c2ccc(N3CCC([NH3+])CC3)nc2)no1 ZINC000863656247 662342428 /nfs/dbraw/zinc/34/24/28/662342428.db2.gz LERDCNKKKNOJGZ-MLGOLLRUSA-N 1 0 378.274 2.700 20 0 GFADRO O=C(Cc1noc([C@H](F)[C@@H]2CC[NH2+]C2)n1)Nc1ccccc1Br ZINC000863670251 662343422 /nfs/dbraw/zinc/34/34/22/662343422.db2.gz KMGLGEMHVSSCIG-YMTOWFKASA-N 1 0 383.221 2.633 20 0 GFADRO C[C@H](c1ccc(-c2ccc(S(N)(=O)=O)c(Cl)c2)cc1)N1CC[NH2+]CC1 ZINC000863979876 662351946 /nfs/dbraw/zinc/35/19/46/662351946.db2.gz VRYCFVJYCXKRJS-CYBMUJFWSA-N 1 0 379.913 2.621 20 0 GFADRO C[NH+]1CCC(NC(=O)c2c(F)ccc(I)c2Cl)CC1 ZINC000864596312 662380887 /nfs/dbraw/zinc/38/08/87/662380887.db2.gz MAPAIWOPJDGQQJ-UHFFFAOYSA-N 1 0 396.631 2.908 20 0 GFADRO O=C(Cc1ccc(Br)cc1Cl)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000865060939 662396918 /nfs/dbraw/zinc/39/69/18/662396918.db2.gz UMAMURWAGQTDFA-UONOGXRCSA-N 1 0 387.705 2.624 20 0 GFADRO C[NH+]1CCN(C[C@@H](NCc2cccnc2Br)c2ccccc2)CC1 ZINC000865446291 662422055 /nfs/dbraw/zinc/42/20/55/662422055.db2.gz RGPPDCDEMRFGNE-GOSISDBHSA-N 1 0 389.341 2.922 20 0 GFADRO C[C@H](C[NH2+]Cc1cn(C[C@H]2CCCO2)nn1)Oc1ccccc1Br ZINC000865482884 662424682 /nfs/dbraw/zinc/42/46/82/662424682.db2.gz AGYCIMPZUNGMOC-UKRRQHHQSA-N 1 0 395.301 2.777 20 0 GFADRO COc1ncc(Br)cc1CNC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000865494548 662424943 /nfs/dbraw/zinc/42/49/43/662424943.db2.gz CXWPECBJCOFYHF-IAGOWNOFSA-N 1 0 398.345 2.710 20 0 GFADRO COc1ncc(Br)cc1C[NH2+]C[C@@H]1CCC2(CCOCC2)[C@@H]1O ZINC000865558558 662429125 /nfs/dbraw/zinc/42/91/25/662429125.db2.gz SJEUPBAZQMOKBI-SWLSCSKDSA-N 1 0 385.302 2.510 20 0 GFADRO CNC(=O)[C@H](C[NH2+]Cc1cccnc1Br)Cc1ccc(F)cc1C ZINC000865613148 662432065 /nfs/dbraw/zinc/43/20/65/662432065.db2.gz OOPJWJPPXHVRJH-HNNXBMFYSA-N 1 0 394.288 2.986 20 0 GFADRO C/C(=C\c1ccc(Br)o1)C(=O)N(C)CCCN1CC[NH+](C)CC1 ZINC000865675054 662435634 /nfs/dbraw/zinc/43/56/34/662435634.db2.gz IBESTYDDKDADHB-BUHFOSPRSA-N 1 0 384.318 2.541 20 0 GFADRO CC(C)[C@@H](CNC(=O)c1cc2ccnc(Cl)c2s1)N1CC[NH+](C)CC1 ZINC000865786288 662443388 /nfs/dbraw/zinc/44/33/88/662443388.db2.gz IUSJAKKZRIHKGR-CQSZACIVSA-N 1 0 380.945 2.952 20 0 GFADRO C[N@@H+]1CCCN(CCCNC(=O)/C=C\c2ccsc2C(F)(F)F)CC1 ZINC000865818456 662445629 /nfs/dbraw/zinc/44/56/29/662445629.db2.gz XAUDOBMYPKXNGC-PLNGDYQASA-N 1 0 375.460 2.924 20 0 GFADRO C[C@H]1C[C@H](N(C)C(=O)c2ccc(I)cc2O)CC[N@@H+]1C ZINC000866050077 662458580 /nfs/dbraw/zinc/45/85/80/662458580.db2.gz VVLRWXCNYIFFLD-CMPLNLGQSA-N 1 0 388.249 2.552 20 0 GFADRO C/C(=C/c1ccc(Br)o1)C(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000866092182 662460253 /nfs/dbraw/zinc/46/02/53/662460253.db2.gz GHGQLMBKEQHANS-ZVHGMHCTSA-N 1 0 383.286 2.626 20 0 GFADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc(Br)cn3ccnc23)C1 ZINC000866186809 662463572 /nfs/dbraw/zinc/46/35/72/662463572.db2.gz UBMOJZXDPQBXSP-ZDUSSCGKSA-N 1 0 379.302 2.901 20 0 GFADRO C[C@H]([NH2+]C1CCN(CCS(C)(=O)=O)CC1)c1cc2c(ccnc2Cl)o1 ZINC000866262144 662466094 /nfs/dbraw/zinc/46/60/94/662466094.db2.gz HRSJAZMYTXRZLQ-LBPRGKRZSA-N 1 0 385.917 2.641 20 0 GFADRO C[C@@H](CCc1cccnc1)[NH2+]CC1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000866265664 662466119 /nfs/dbraw/zinc/46/61/19/662466119.db2.gz PMXWPTGMTSZTSJ-ZDUSSCGKSA-N 1 0 379.448 2.554 20 0 GFADRO COc1ccc2c(c1)CC[C@@H]2[NH2+]C1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000866281230 662466641 /nfs/dbraw/zinc/46/66/41/662466641.db2.gz LDEXCUUHCLENII-HNNXBMFYSA-N 1 0 378.416 2.586 20 0 GFADRO C[C@@H]1CCc2ccc(F)cc2[C@@H]1[NH2+]C[C@H](O)CS(=O)(=O)c1cccs1 ZINC000866310044 662467696 /nfs/dbraw/zinc/46/76/96/662467696.db2.gz SHXYXOVRALEHJX-HNJNHCNJSA-N 1 0 383.510 2.935 20 0 GFADRO C[C@@H]([NH2+]C[C@@]12COC(=O)N1CCOC2)c1cc(Cl)ccc1OC(F)F ZINC000866526071 662478884 /nfs/dbraw/zinc/47/88/84/662478884.db2.gz WQBAPBYUZWPTGN-QLJPJBMISA-N 1 0 376.787 2.813 20 0 GFADRO O=S(=O)(c1cc(Cl)ccc1Br)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000866826047 662502373 /nfs/dbraw/zinc/50/23/73/662502373.db2.gz VAFVVHVDGOIHII-NWDGAFQWSA-N 1 0 379.707 2.618 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2C(=O)C(=O)c1cc(Cl)cc(Cl)c1 ZINC000866864587 662504697 /nfs/dbraw/zinc/50/46/97/662504697.db2.gz WAPSGQIINHFLNQ-PMPSAXMXSA-N 1 0 385.291 2.886 20 0 GFADRO C/C(=C\c1ccc(Br)o1)C(=O)Nc1ccc(=O)n(CC[NH+](C)C)c1 ZINC000866976284 662513789 /nfs/dbraw/zinc/51/37/89/662513789.db2.gz RABGBMYBDOTLOB-ZRDIBKRKSA-N 1 0 394.269 2.807 20 0 GFADRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1S(=O)(=O)c1cc2nc(Cl)ncc2s1 ZINC000867268109 662537500 /nfs/dbraw/zinc/53/75/00/662537500.db2.gz LTGUGOLEHWUNEN-CMPLNLGQSA-N 1 0 386.930 2.592 20 0 GFADRO C[NH+]1CCN(CCCS(=O)(=O)Oc2c(Cl)ccc3ccccc32)CC1 ZINC000867585404 662561124 /nfs/dbraw/zinc/56/11/24/662561124.db2.gz JEXUDFBOFYMHBK-UHFFFAOYSA-N 1 0 382.913 2.839 20 0 GFADRO [NH3+][C@@H](C(=O)NC[C@@H]1OCCc2ccccc21)c1cccc(Br)c1 ZINC000867927748 662587642 /nfs/dbraw/zinc/58/76/42/662587642.db2.gz NCDLJRMJNJBOQE-DLBZAZTESA-N 1 0 375.266 2.879 20 0 GFADRO [NH3+][C@@H](C(=O)N1CCC(OC[C@@H]2CCCO2)CC1)c1cccc(Br)c1 ZINC000867942587 662588387 /nfs/dbraw/zinc/58/83/87/662588387.db2.gz CRIKLXKKGWPZPI-DLBZAZTESA-N 1 0 397.313 2.636 20 0 GFADRO COc1cc(I)ccc1C(=O)NC(C)(C)CCC[NH3+] ZINC000867974226 662590202 /nfs/dbraw/zinc/59/02/02/662590202.db2.gz GPGWMBUTYYMEQO-UHFFFAOYSA-N 1 0 376.238 2.547 20 0 GFADRO C[C@H](NC(=O)c1ccc(I)c(F)c1)C1CC[NH2+]CC1 ZINC000868009522 662591218 /nfs/dbraw/zinc/59/12/18/662591218.db2.gz FLKLDEZJQVEANT-VIFPVBQESA-N 1 0 376.213 2.548 20 0 GFADRO COCCC1(NC(=O)c2ccc(Cl)cc2Br)CC[NH2+]CC1 ZINC000868041281 662592245 /nfs/dbraw/zinc/59/22/45/662592245.db2.gz QTXMHDZWFBWQNS-UHFFFAOYSA-N 1 0 375.694 2.991 20 0 GFADRO COCCC1(NC(=O)[C@H]2CCc3cc(Br)ccc32)CC[NH2+]CC1 ZINC000868043353 662592390 /nfs/dbraw/zinc/59/23/90/662592390.db2.gz GVYZGMHUAGMGNU-INIZCTEOSA-N 1 0 381.314 2.754 20 0 GFADRO COC(=O)c1cc(Br)ccc1NC(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000868136704 662595628 /nfs/dbraw/zinc/59/56/28/662595628.db2.gz QXIYWJBYMYXLDC-KBPBESRZSA-N 1 0 382.258 2.594 20 0 GFADRO O=C(Nc1cccc(F)c1I)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000868139072 662595823 /nfs/dbraw/zinc/59/58/23/662595823.db2.gz OSGMGERVKZTMFT-CMPLNLGQSA-N 1 0 389.212 2.789 20 0 GFADRO [NH3+]CC[C@H](NC(=O)N[C@@H]1[C@H]2Cc3ccc(Br)cc3[C@@H]12)C(F)(F)F ZINC000868168840 662597401 /nfs/dbraw/zinc/59/74/01/662597401.db2.gz ZZOMHIWVNXVXCE-WUHRBBMRSA-N 1 0 392.219 2.666 20 0 GFADRO [NH3+]CC12CCC(CC1)N2C(=O)C(=O)Nc1ccc(Cl)c(Br)c1 ZINC000868288243 662600490 /nfs/dbraw/zinc/60/04/90/662600490.db2.gz BDAKGMRXBIPQPZ-UHFFFAOYSA-N 1 0 386.677 2.523 20 0 GFADRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)N[C@@H]1[C@@H]2Cc3ccc(Br)cc3[C@@H]21 ZINC000868354685 662602791 /nfs/dbraw/zinc/60/27/91/662602791.db2.gz KRZMNUAWXDOLLD-HQKIHSOMSA-N 1 0 390.325 2.871 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(C(=O)NCc3cc(F)c(Br)cc3F)CC[C@H]21 ZINC000868809729 662620457 /nfs/dbraw/zinc/62/04/57/662620457.db2.gz MAAKYFZRYRBCFB-MEBBXXQBSA-N 1 0 388.256 2.963 20 0 GFADRO C[N@@H+]1CC[C@H]2CN(C(=O)NCc3ccc(Br)c(F)c3F)CC[C@@H]21 ZINC000868810669 662620497 /nfs/dbraw/zinc/62/04/97/662620497.db2.gz SWZQZRFJADHSPF-AAEUAGOBSA-N 1 0 388.256 2.963 20 0 GFADRO COC[C@@H](NC(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1)c1cccc(Br)c1 ZINC000869148068 662631870 /nfs/dbraw/zinc/63/18/70/662631870.db2.gz VKFNENVTOXVJGB-SJLPKXTDSA-N 1 0 396.329 2.874 20 0 GFADRO COC[C@H](NC(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1)c1cccc(Br)c1 ZINC000869148622 662631999 /nfs/dbraw/zinc/63/19/99/662631999.db2.gz JSPJJWFEFBZTQL-BHYGNILZSA-N 1 0 396.329 2.872 20 0 GFADRO COCCN(CC1CC[NH+](C)CC1)C(=O)c1ccc(Br)c(OC)c1 ZINC000869760129 662660367 /nfs/dbraw/zinc/66/03/67/662660367.db2.gz RCEDFJNWKXVXRX-UHFFFAOYSA-N 1 0 399.329 2.888 20 0 GFADRO Cc1nc(Br)sc1C(=O)Nc1cc(N2CC[NH+](C)CC2)ccn1 ZINC000870665353 662698211 /nfs/dbraw/zinc/69/82/11/662698211.db2.gz RDUSARFFCSQFKQ-UHFFFAOYSA-N 1 0 396.314 2.613 20 0 GFADRO COC(=O)C[C@H](NC(=O)CC[NH2+]CC1CC1)c1ccc(Br)cc1 ZINC000870862147 662703752 /nfs/dbraw/zinc/70/37/52/662703752.db2.gz JFDQQFTYXOXHKR-HNNXBMFYSA-N 1 0 383.286 2.559 20 0 GFADRO [NH3+][C@H](C(=O)N1CCCN(c2nccs2)CC1)c1cccc(Br)c1 ZINC000870874405 662704396 /nfs/dbraw/zinc/70/43/96/662704396.db2.gz JZWCKIOACSEQKI-AWEZNQCLSA-N 1 0 395.326 2.644 20 0 GFADRO CC(C)CC(=O)N1CCC(NC(=O)[C@@H]([NH3+])c2cccc(Br)c2)CC1 ZINC000870875051 662704400 /nfs/dbraw/zinc/70/44/00/662704400.db2.gz UKOSDJOVKXARIZ-KRWDZBQOSA-N 1 0 396.329 2.602 20 0 GFADRO O=C(NC[C@H](O)c1c(F)cccc1Cl)c1csc(C2CC[NH2+]CC2)n1 ZINC000870891579 662706954 /nfs/dbraw/zinc/70/69/54/662706954.db2.gz GAUACXVEFVWJKK-AWEZNQCLSA-N 1 0 383.876 2.866 20 0 GFADRO COCCNc1ccccc1CNC(=O)[C@H]([NH3+])c1cccc(Br)c1 ZINC000870903148 662707433 /nfs/dbraw/zinc/70/74/33/662707433.db2.gz SPZZIKFVFDDILT-QGZVFWFLSA-N 1 0 392.297 2.824 20 0 GFADRO Cc1nn(C)c(Br)c1C(=O)N[C@H]1CC[N@H+](Cc2cccc(C)c2)C1 ZINC000870909810 662707620 /nfs/dbraw/zinc/70/76/20/662707620.db2.gz JNPYDJAYGKSOAI-HNNXBMFYSA-N 1 0 391.313 2.804 20 0 GFADRO O=C(NCC12CC(C1)C[NH2+]2)c1c(F)ccc(I)c1Cl ZINC000870957198 662711483 /nfs/dbraw/zinc/71/14/83/662711483.db2.gz ZBZUSSGOHNLUHC-UHFFFAOYSA-N 1 0 394.615 2.566 20 0 GFADRO Cc1cc(COc2ccc(C(=O)NC[C@H]3C[C@H]([NH3+])C3)cc2Br)on1 ZINC000870970188 662711886 /nfs/dbraw/zinc/71/18/86/662711886.db2.gz JSHFLLMJDJCUEV-AULYBMBSSA-N 1 0 394.269 2.792 20 0 GFADRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2ccc3ccnc(Cl)c3c2)C[C@H]1C(F)(F)F ZINC000871812463 662735030 /nfs/dbraw/zinc/73/50/30/662735030.db2.gz HDFLQNMKUOHMOM-ZWNOBZJWSA-N 1 0 393.818 2.646 20 0 GFADRO [NH3+]C[C@H]1CN(S(=O)(=O)c2ccc3nc(Cl)sc3c2)C[C@H]1C(F)(F)F ZINC000871814753 662735517 /nfs/dbraw/zinc/73/55/17/662735517.db2.gz XROUPNYYTGZLKU-IONNQARKSA-N 1 0 399.847 2.707 20 0 GFADRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2ccc(CC(F)(F)F)cc2)C[C@@H]1C(F)(F)F ZINC000871814004 662735533 /nfs/dbraw/zinc/73/55/33/662735533.db2.gz NJPRZXIJAMATDB-PWSUYJOCSA-N 1 0 390.349 2.549 20 0 GFADRO C[C@@H]([NH2+]CCC[C@H]1CCOC1=O)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000872114668 662756314 /nfs/dbraw/zinc/75/63/14/662756314.db2.gz XVRZPRXJGHZQNC-ZJUUUORDSA-N 1 0 395.308 2.635 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CN1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000872148128 662756550 /nfs/dbraw/zinc/75/65/50/662756550.db2.gz NQJKUAHVEYOTCH-JQWIXIFHSA-N 1 0 394.235 2.765 20 0 GFADRO [NH3+]C[C@@]1(c2nc(Cc3cn4cc(Cl)cc(Cl)c4n3)no2)CCCOC1 ZINC000872178151 662757413 /nfs/dbraw/zinc/75/74/13/662757413.db2.gz SAGVRBMGELHEHT-INIZCTEOSA-N 1 0 382.251 2.622 20 0 GFADRO O[C@H](C[NH2+]C[C@H]1CCC12CCOCC2)COc1ccc(Br)cc1 ZINC000872228632 662758309 /nfs/dbraw/zinc/75/83/09/662758309.db2.gz IARNWXBDFXWCTM-GDBMZVCRSA-N 1 0 384.314 2.985 20 0 GFADRO O[C@H](C[NH2+]C[C@@H]1CC2(CO1)CCOCC2)COc1ccc(Cl)cc1Cl ZINC000872230717 662758390 /nfs/dbraw/zinc/75/83/90/662758390.db2.gz HVZJDNKGMJKZCH-CABCVRRESA-N 1 0 390.307 2.908 20 0 GFADRO CC(=O)N[C@H](CC(=O)N1CC[NH2+]CCC1(C)C)c1ccc(Br)cc1 ZINC000872292905 662759925 /nfs/dbraw/zinc/75/99/25/662759925.db2.gz WQGWQBXEFMQAKR-MRXNPFEDSA-N 1 0 396.329 2.617 20 0 GFADRO CC1CC[NH+](C2CCC(NS(=O)(=O)N=[S@@](C)(=O)C(C)(C)C)CC2)CC1 ZINC000872466141 662769846 /nfs/dbraw/zinc/76/98/46/662769846.db2.gz IQPSGCPLXRTALX-WLNDFMDLSA-N 1 0 393.619 2.760 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(CN3CC[C@H](c4cccc(Br)c4)C3=O)CC[C@@H]21 ZINC000872724260 662786570 /nfs/dbraw/zinc/78/65/70/662786570.db2.gz STZRRDZQABFISA-NXHRZFHOSA-N 1 0 392.341 2.749 20 0 GFADRO OC[C@H]1C[N@@H+]2CCC[C@H]2CN1c1ccc(Br)c(C(F)(F)F)n1 ZINC000872757435 662787974 /nfs/dbraw/zinc/78/79/74/662787974.db2.gz COZDZGVVCKXCFA-VHSXEESVSA-N 1 0 380.208 2.508 20 0 GFADRO C[C@H](NC(=O)NC[C@]1([NH+](C)C)CCSC1)c1ccc(C(F)(F)F)nc1 ZINC000872925134 662793865 /nfs/dbraw/zinc/79/38/65/662793865.db2.gz LGDNHNKUEKRUNP-XHDPSFHLSA-N 1 0 376.448 2.898 20 0 GFADRO CS(=O)(=O)N1CCC(C[NH2+]Cc2cccc(Cl)c2Br)CC1 ZINC000873031653 662797148 /nfs/dbraw/zinc/79/71/48/662797148.db2.gz WZIUMVPNUJUWGS-UHFFFAOYSA-N 1 0 395.750 2.864 20 0 GFADRO Cn1c2ccccc2c(Br)c1C[NH2+]CC1CCS(=O)(=O)CC1 ZINC000873098012 662799566 /nfs/dbraw/zinc/79/95/66/662799566.db2.gz IADRJZQVYPMOLM-UHFFFAOYSA-N 1 0 385.327 2.855 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)Nc2ccc(Cl)cc2Cl)C[C@@H]1C(F)(F)F ZINC000873103547 662799884 /nfs/dbraw/zinc/79/98/84/662799884.db2.gz FYUUTIZRXDLZFD-APPZFPTMSA-N 1 0 384.185 2.528 20 0 GFADRO CCS(=O)(=O)C1(C[NH2+]Cc2c(Br)c3ccccc3n2C)CC1 ZINC000873138157 662801334 /nfs/dbraw/zinc/80/13/34/662801334.db2.gz BTZKZFIBWJFFFN-UHFFFAOYSA-N 1 0 385.327 2.998 20 0 GFADRO COc1sc(C[NH2+]CC2C[C@H]3CC[C@@H](C2)S3(=O)=O)cc1Br ZINC000873171540 662802734 /nfs/dbraw/zinc/80/27/34/662802734.db2.gz NKHGZSKOCMYTHD-CLYYMRHHSA-N 1 0 394.356 2.965 20 0 GFADRO COc1cc(C[NH2+]CC2C[C@H]3CC[C@@H](C2)S3(=O)=O)ccc1OC(F)F ZINC000873171949 662802745 /nfs/dbraw/zinc/80/27/45/662802745.db2.gz GCIZTFQJZZDQAS-AGUYFDCRSA-N 1 0 375.437 2.742 20 0 GFADRO C[C@]12C[NH2+]C[C@H]1CN(C(=O)Nc1cc(Cl)ccc1N1CCSCC1)C2 ZINC000873307011 662805066 /nfs/dbraw/zinc/80/50/66/662805066.db2.gz FYAHCGZOXWSRIV-SCLBCKFNSA-N 1 0 380.945 2.966 20 0 GFADRO Cc1cc(Br)ncc1NC(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000873312284 662805127 /nfs/dbraw/zinc/80/51/27/662805127.db2.gz KTNFMLFRCIVUFD-IUCAKERBSA-N 1 0 381.196 2.753 20 0 GFADRO O=C(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)Nc1cc(Br)ccc1F ZINC000873308955 662805153 /nfs/dbraw/zinc/80/51/53/662805153.db2.gz HRWWUSRSPVWCRF-LBPRGKRZSA-N 1 0 386.265 2.868 20 0 GFADRO COC(=O)c1ccc(NC(=O)N2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)cc1Cl ZINC000873309963 662805160 /nfs/dbraw/zinc/80/51/60/662805160.db2.gz ROMQMULAJWFHIG-GZMMTYOYSA-N 1 0 379.766 2.728 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)Nc2nc(CC(F)(F)F)cs2)C[C@@H]1C(F)(F)F ZINC000873329161 662805676 /nfs/dbraw/zinc/80/56/76/662805676.db2.gz UCRFDPRYLLSEHZ-SVRRBLITSA-N 1 0 376.326 2.849 20 0 GFADRO C[NH+](C)C(C)(C)CNC(=O)C(=O)Nc1c(F)cc(Cl)cc1Br ZINC000873654053 662811294 /nfs/dbraw/zinc/81/12/94/662811294.db2.gz INKDOBSCINFKCT-UHFFFAOYSA-N 1 0 394.672 2.637 20 0 GFADRO CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2cc(Cl)cc(Cl)c2F)C1 ZINC000873687577 662811914 /nfs/dbraw/zinc/81/19/14/662811914.db2.gz AAIXHEJRLXIQDW-SNVBAGLBSA-N 1 0 376.259 2.919 20 0 GFADRO Cc1nc(NC(=O)C[C@H]2CC[N@@H+](C)C2)sc1C1N=NC(=S)N1C1CC1 ZINC000874090138 662822498 /nfs/dbraw/zinc/82/24/98/662822498.db2.gz PHEDSLMZBNDKDW-SNVBAGLBSA-N 1 0 378.527 2.614 20 0 GFADRO O=C(C[NH+]1CCCC1)NCC1(c2ccc(Br)cc2)CCOCC1 ZINC000874271435 662827174 /nfs/dbraw/zinc/82/71/74/662827174.db2.gz CUTXJQVNONZOEP-UHFFFAOYSA-N 1 0 381.314 2.709 20 0 GFADRO COC1CC[NH+](C(C)(C)CNC(=O)c2csc(Br)n2)CC1 ZINC000874443441 662831330 /nfs/dbraw/zinc/83/13/30/662831330.db2.gz JVZOFHIOJAGTIL-UHFFFAOYSA-N 1 0 376.320 2.525 20 0 GFADRO COc1cc(C(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3C)cc(Br)c1OC ZINC000874826640 662837406 /nfs/dbraw/zinc/83/74/06/662837406.db2.gz AXWRNSYSKQHQTH-ZIAGYGMSSA-N 1 0 383.286 2.775 20 0 GFADRO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)c1ccc(I)c(F)c1 ZINC000874840348 662838123 /nfs/dbraw/zinc/83/81/23/662838123.db2.gz MRVJHTMRCOAFOW-UONOGXRCSA-N 1 0 388.224 2.739 20 0 GFADRO COc1cc(C(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3C)cc(OC)c1Br ZINC000874849808 662838297 /nfs/dbraw/zinc/83/82/97/662838297.db2.gz YVKICXNZKRTVNE-QWHCGFSZSA-N 1 0 383.286 2.775 20 0 GFADRO COc1cc(C(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3C)cc(OC)c1Br ZINC000874849803 662838319 /nfs/dbraw/zinc/83/83/19/662838319.db2.gz YVKICXNZKRTVNE-CHWSQXEVSA-N 1 0 383.286 2.775 20 0 GFADRO C[C@@H](NC(=O)N[C@H]1CC[N@H+](CC(C)(C)O)C1)c1ccc(Br)cc1 ZINC000875001397 662840569 /nfs/dbraw/zinc/84/05/69/662840569.db2.gz NSTDYDGVZSOASL-DOMZBBRYSA-N 1 0 384.318 2.655 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)NCc1ncc(Br)s1 ZINC000875015663 662840894 /nfs/dbraw/zinc/84/08/94/662840894.db2.gz MAICCVNHRNWBJH-LLVKDONJSA-N 1 0 375.336 2.969 20 0 GFADRO CC(C)[C@H](CNC(=O)NCc1ncc(Br)s1)[NH+]1CCCC1 ZINC000875240829 662843816 /nfs/dbraw/zinc/84/38/16/662843816.db2.gz SMAXJBRXZNWGLO-NSHDSACASA-N 1 0 375.336 2.825 20 0 GFADRO C[NH+]1CCC(n2cc(NC(=O)N[C@@H]3CC[C@@H]4SCCS[C@@H]34)cn2)CC1 ZINC000875434986 662845929 /nfs/dbraw/zinc/84/59/29/662845929.db2.gz NRYVHTRJGNISLS-PMPSAXMXSA-N 1 0 381.571 2.651 20 0 GFADRO Cc1cc(Br)cnc1NC(=O)[C@@H]1CC[N@@H+](C)C[C@H]1c1cnn(C)c1 ZINC000875464782 662846439 /nfs/dbraw/zinc/84/64/39/662846439.db2.gz GVAHTHXHZQCGOJ-CABCVRRESA-N 1 0 392.301 2.560 20 0 GFADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)Oc2cc(Br)ccc2F)cn1 ZINC000875529939 662847475 /nfs/dbraw/zinc/84/74/75/662847475.db2.gz DHIANZJQMHVHRB-KBPBESRZSA-N 1 0 396.260 2.963 20 0 GFADRO C[NH+](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cncc(Cl)c1Cl ZINC000875531458 662847591 /nfs/dbraw/zinc/84/75/91/662847591.db2.gz YXIILQHDAIMHQG-NSHDSACASA-N 1 0 377.272 2.782 20 0 GFADRO C[NH+]1CCC(n2cc(NC(=O)NCc3ncc(Br)s3)cn2)CC1 ZINC000876016824 662854721 /nfs/dbraw/zinc/85/47/21/662854721.db2.gz DIBDMWLTCCQCIA-UHFFFAOYSA-N 1 0 399.318 2.691 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCc2ncc(Br)s2)C[C@H]1C ZINC000876285460 662858858 /nfs/dbraw/zinc/85/88/58/662858858.db2.gz CJHSRSIQTBDZMV-GHMZBOCLSA-N 1 0 375.336 2.920 20 0 GFADRO O=C(NCC1(c2cccc(Br)c2)CCOCC1)[C@H](F)[C@H]1CC[NH2+]C1 ZINC000876606812 662863287 /nfs/dbraw/zinc/86/32/87/662863287.db2.gz LECOYZVBOGGGLZ-XJKSGUPXSA-N 1 0 399.304 2.561 20 0 GFADRO C[C@H](NC(=O)/C=C/[C@@H]1CCC[NH2+]C1)c1cc2c(cc1Br)OCCO2 ZINC000876607763 662863381 /nfs/dbraw/zinc/86/33/81/662863381.db2.gz ZFQYRQOXMGCYIU-WWKJKZQJSA-N 1 0 395.297 2.953 20 0 GFADRO C[NH+](C)C[C@H](N)C(=O)N[C@H](c1ccccc1)c1ccc(Br)cc1F ZINC000876607703 662863387 /nfs/dbraw/zinc/86/33/87/662863387.db2.gz XVESBETYLPZEKW-DLBZAZTESA-N 1 0 394.288 2.683 20 0 GFADRO C[C@H](CNC(=O)[C@@H](F)[C@H]1CC[NH2+]C1)Sc1ccc(Br)cc1 ZINC000876656979 662864485 /nfs/dbraw/zinc/86/44/85/662864485.db2.gz AVLLJNNIAUQZPH-SUNKGSAMSA-N 1 0 375.307 2.994 20 0 GFADRO O=C(CC[NH2+]CC1CC1)Nc1cc(Br)ccc1N1CCOCC1 ZINC000876713163 662865204 /nfs/dbraw/zinc/86/52/04/662865204.db2.gz MNLALPSJKIOOEO-UHFFFAOYSA-N 1 0 382.302 2.614 20 0 GFADRO CCS(=O)(=O)C[C@@H](C)[N@H+](C)C[C@H]1CCCCN(C(=O)OC(C)(C)C)C1 ZINC000876736095 662865594 /nfs/dbraw/zinc/86/55/94/662865594.db2.gz GAZALNIQUXLZAI-HZPDHXFCSA-N 1 0 376.563 2.779 20 0 GFADRO O=C(/C=C\[C@@H]1CCC[NH2+]C1)N[C@H]1CCN(c2ccccc2Br)C1 ZINC000876764884 662866047 /nfs/dbraw/zinc/86/60/47/662866047.db2.gz XHLXRXXQLGYKFR-CYSIVNQBSA-N 1 0 378.314 2.700 20 0 GFADRO Cn1ncc2cc(C[N@H+](C)[C@H](CO)c3cccc(Br)c3)cnc21 ZINC000876783406 662866446 /nfs/dbraw/zinc/86/64/46/662866446.db2.gz AVTDFVZELGGTML-MRXNPFEDSA-N 1 0 375.270 2.896 20 0 GFADRO COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)c1ccc2ccc(Br)cc2c1 ZINC000876847334 662867308 /nfs/dbraw/zinc/86/73/08/662867308.db2.gz IHMQCJZFKMMUAE-INIZCTEOSA-N 1 0 391.265 2.579 20 0 GFADRO C[NH+](C)CCOc1ccc(NCc2ccc(S(N)(=O)=O)cc2)cc1Cl ZINC000876850416 662867356 /nfs/dbraw/zinc/86/73/56/662867356.db2.gz QWQHNPWFVJHNEF-UHFFFAOYSA-N 1 0 383.901 2.540 20 0 GFADRO O=C(/C=C\[C@@H]1CCC[NH2+]C1)N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000876894129 662867821 /nfs/dbraw/zinc/86/78/21/662867821.db2.gz LVCDPFRAKKKCCM-OEFVEUCESA-N 1 0 382.291 2.771 20 0 GFADRO COC(=O)c1cc(NC(=O)[C@]23CCC[C@H]2[NH2+]CC3)cc(Br)c1F ZINC000876910350 662867882 /nfs/dbraw/zinc/86/78/82/662867882.db2.gz XVYZQZWSYSQSBC-WBMJQRKESA-N 1 0 385.233 2.846 20 0 GFADRO O=C(NCc1cc(Cl)ccc1I)[C@@H](F)[C@@H]1CC[NH2+]C1 ZINC000876959793 662868627 /nfs/dbraw/zinc/86/86/27/662868627.db2.gz PDVPKOJCQKKSNV-PELKAZGASA-N 1 0 396.631 2.508 20 0 GFADRO CC(C)n1ncc(C(=O)N2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)c1Br ZINC000876950504 662868611 /nfs/dbraw/zinc/86/86/11/662868611.db2.gz OTTCYMGTZHBEPZ-YUELXQCFSA-N 1 0 399.333 2.728 20 0 GFADRO O=C(COc1ccccc1C[NH2+]C[C@H]1CC1(Cl)Cl)NC[C@@H]1CCCO1 ZINC000876955734 662868623 /nfs/dbraw/zinc/86/86/23/662868623.db2.gz BSGVZYHVQZXDCK-CABCVRRESA-N 1 0 387.307 2.644 20 0 GFADRO O=C(NCCC[C@@H]1CC1(Cl)Cl)c1nnn(C2CC[NH2+]CC2)c1C(F)F ZINC000876949059 662868629 /nfs/dbraw/zinc/86/86/29/662868629.db2.gz RLXXZZBFVAUWJX-SECBINFHSA-N 1 0 396.269 2.844 20 0 GFADRO COc1cc(C[NH2+]CC2(S(=O)(=O)NC(C)(C)C)CC2)cc(Cl)c1OC ZINC000876999152 662869505 /nfs/dbraw/zinc/86/95/05/662869505.db2.gz WQJHHMQAHLBGRH-UHFFFAOYSA-N 1 0 390.933 2.697 20 0 GFADRO O=S1(=O)CCC(C[NH2+][C@@H]2CCCN(Cc3ccc(F)cc3Cl)C2)CC1 ZINC000877037814 662869914 /nfs/dbraw/zinc/86/99/14/662869914.db2.gz XNIDAISQSJCRJE-QGZVFWFLSA-N 1 0 388.936 2.858 20 0 GFADRO O=C(c1n[nH]c2c1C[NH2+]CC2)N1CC2(CCC2)c2cc(Br)ccc21 ZINC000877032257 662869980 /nfs/dbraw/zinc/86/99/80/662869980.db2.gz IOPBNNFQFZSAAZ-UHFFFAOYSA-N 1 0 387.281 2.900 20 0 GFADRO C[C@@H]([NH2+]Cc1ccc(S(N)(=O)=O)s1)[C@@H](O)c1c(Cl)cccc1Cl ZINC000877067386 662870676 /nfs/dbraw/zinc/87/06/76/662870676.db2.gz CQHJAYVEEOOBCF-XLKFXECMSA-N 1 0 395.333 2.914 20 0 GFADRO O=S1(=O)CCC(C[NH2+]C[C@@](O)(c2ccc(Cl)cc2)C(F)(F)F)CC1 ZINC000877075720 662870702 /nfs/dbraw/zinc/87/07/02/662870702.db2.gz QVVHUPJERXPGKR-CQSZACIVSA-N 1 0 385.835 2.504 20 0 GFADRO C[C@@H](Cc1ccccc1Br)[NH2+]Cc1cccc(S(N)(=O)=O)c1 ZINC000877092767 662871021 /nfs/dbraw/zinc/87/10/21/662871021.db2.gz JTZGYEBVZMGXPW-LBPRGKRZSA-N 1 0 383.311 2.817 20 0 GFADRO C[C@@H]([NH3+])CN(C)C(=O)c1ccccc1N(C)C(=O)c1ccc(Br)o1 ZINC000877100333 662871093 /nfs/dbraw/zinc/87/10/93/662871093.db2.gz SDECXZITMSOUDY-LLVKDONJSA-N 1 0 394.269 2.738 20 0 GFADRO O=S1(=O)CC[C@@]2(C1)C[C@H]([NH2+]Cc1cc3nc(Cl)ccc3s1)CCO2 ZINC000877139233 662871559 /nfs/dbraw/zinc/87/15/59/662871559.db2.gz IXIWYBOKTUFIPN-BZNIZROVSA-N 1 0 386.926 2.776 20 0 GFADRO CC(C)n1ncc(C(=O)NCC[C@@H]([NH3+])Cc2ccccc2)c1Br ZINC000877160061 662871758 /nfs/dbraw/zinc/87/17/58/662871758.db2.gz QUGRUAPJVKEYRC-CQSZACIVSA-N 1 0 379.302 2.916 20 0 GFADRO [NH3+]CC12CCC(CC1)N2C(=O)c1[nH]nc(-c2ccccc2)c1Br ZINC000877189568 662872060 /nfs/dbraw/zinc/87/20/60/662872060.db2.gz PKNVTMUVTGHNHF-UHFFFAOYSA-N 1 0 375.270 2.935 20 0 GFADRO O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1[C@@H]2Cc3cc(Br)ccc3[C@@H]21 ZINC000877245637 662872418 /nfs/dbraw/zinc/87/24/18/662872418.db2.gz HRZHNIULUDXYOS-UQURQGMXSA-N 1 0 375.310 2.982 20 0 GFADRO O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1[C@@H]2c3cccc(Br)c3C[C@H]12 ZINC000877245758 662872486 /nfs/dbraw/zinc/87/24/86/662872486.db2.gz JWVDHVNXPIAPCM-ZEIKPHRKSA-N 1 0 375.310 2.982 20 0 GFADRO Cc1nc(C(=O)N2CCC[C@@H]3[NH2+]CC[C@@H]32)nn1-c1c(Cl)cccc1Cl ZINC000877283307 662873152 /nfs/dbraw/zinc/87/31/52/662873152.db2.gz VPYCFOXDLJJWTA-KBPBESRZSA-N 1 0 380.279 2.849 20 0 GFADRO COc1cc(Br)ccc1CCC[NH2+]CC1CCS(=O)(=O)CC1 ZINC000877312266 662873402 /nfs/dbraw/zinc/87/34/02/662873402.db2.gz HAUFQZNQSHVDGZ-UHFFFAOYSA-N 1 0 390.343 2.805 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)c2cc(Cl)nc(N3CCCC3)c2)C[C@@H]1C(F)(F)F ZINC000877357991 662874314 /nfs/dbraw/zinc/87/43/14/662874314.db2.gz AOQVLHRHFHYIHG-RYUDHWBXSA-N 1 0 376.810 2.544 20 0 GFADRO COCCOc1ccc(Cl)cc1C(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000877362493 662874608 /nfs/dbraw/zinc/87/46/08/662874608.db2.gz DALDITDSNVXOTD-GWCFXTLKSA-N 1 0 380.794 2.574 20 0 GFADRO O=C(CNC(=O)c1sc2ccccc2c1Cl)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000877388611 662875268 /nfs/dbraw/zinc/87/52/68/662875268.db2.gz CIUIBHANKOUDPB-ACJLOTCBSA-N 1 0 377.897 2.685 20 0 GFADRO COC(=O)c1ccc(C[NH2+]C[C@H](OC)C2CCOCC2)c(Br)c1 ZINC000877526930 662878061 /nfs/dbraw/zinc/87/80/61/662878061.db2.gz GUJQGEQHSLMTRR-INIZCTEOSA-N 1 0 386.286 2.767 20 0 GFADRO Cn1ncc2cc(C[N@H+](C)C[C@H](O)c3cccc(Br)c3)cnc21 ZINC000877588826 662879402 /nfs/dbraw/zinc/87/94/02/662879402.db2.gz ZPLICRBCAPKVTF-INIZCTEOSA-N 1 0 375.270 2.896 20 0 GFADRO Cn1ncc(Br)c1C[NH2+]C[C@@]12C[C@@H]1CN(C(=O)OC(C)(C)C)C2 ZINC000877675256 662881501 /nfs/dbraw/zinc/88/15/01/662881501.db2.gz PQPFIHULYFQINR-BDJLRTHQSA-N 1 0 385.306 2.529 20 0 GFADRO COC(=O)[C@]12C[C@H]1C[C@H]([NH2+]Cc1cc(OC)c(OC)cc1Br)C2 ZINC000877722929 662882546 /nfs/dbraw/zinc/88/25/46/662882546.db2.gz QFPIIMHSGOJSTE-PEBVRCNWSA-N 1 0 384.270 2.898 20 0 GFADRO Cn1ncc(Br)c1CC(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000877932358 662886421 /nfs/dbraw/zinc/88/64/21/662886421.db2.gz DHFYMAXPOUTQHM-OAHLLOKOSA-N 1 0 395.301 2.662 20 0 GFADRO COC(=O)c1scc(C)c1NC(=O)[C@H](C)[NH2+][C@@H](CCO)c1cccs1 ZINC000878409343 662895754 /nfs/dbraw/zinc/89/57/54/662895754.db2.gz KCBPNARBDGTXGW-RYUDHWBXSA-N 1 0 382.507 2.945 20 0 GFADRO C[C@@H]([NH2+]CCc1nnnn1C)c1nc(-c2ccc(Br)cc2)cs1 ZINC000878423398 662895874 /nfs/dbraw/zinc/89/58/74/662895874.db2.gz GZYKQNYYUCOERP-SNVBAGLBSA-N 1 0 393.314 2.989 20 0 GFADRO OCC[N@@H+](Cc1cc(Br)cs1)C[C@@H](O)CC1(CO)CCCC1 ZINC000878509958 662897752 /nfs/dbraw/zinc/89/77/52/662897752.db2.gz ZHNCPHNFNJOOCK-AWEZNQCLSA-N 1 0 392.359 2.609 20 0 GFADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1cc(Br)ccc1C1CC1 ZINC000878544485 662898667 /nfs/dbraw/zinc/89/86/67/662898667.db2.gz JMTHEBMYSXRNNJ-HUUCEWRRSA-N 1 0 379.298 2.920 20 0 GFADRO CC1CC[NH+](C[C@@H]2CCCN(C(=O)Cc3c(Br)cnn3C)C2)CC1 ZINC000878561017 662898909 /nfs/dbraw/zinc/89/89/09/662898909.db2.gz IGXUFGPHTBNPPG-HNNXBMFYSA-N 1 0 397.361 2.696 20 0 GFADRO O[C@H](C[N@@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@H]21)c1cc(Br)no1 ZINC000878604753 662900133 /nfs/dbraw/zinc/90/01/33/662900133.db2.gz DWWKMAQNAOIRDL-QKPAOTATSA-N 1 0 393.281 2.975 20 0 GFADRO COC(=O)C[C@@](C)([NH2+]C[C@H](O)c1ccc(Br)cc1)c1ccncc1 ZINC000878610504 662900255 /nfs/dbraw/zinc/90/02/55/662900255.db2.gz XUHKYDQTIPVKDU-FUHWJXTLSA-N 1 0 393.281 2.946 20 0 GFADRO O=C1OCCN1C1CC[NH+](C[C@H](O)COc2cc(Cl)cc(Cl)c2)CC1 ZINC000878996987 662912631 /nfs/dbraw/zinc/91/26/31/662912631.db2.gz TVFGPTMAGQZVEQ-HNNXBMFYSA-N 1 0 389.279 2.650 20 0 GFADRO C[NH+](C)CCN(C(=O)c1cc(Br)ncc1Br)C1CC1 ZINC000879528268 662928507 /nfs/dbraw/zinc/92/85/07/662928507.db2.gz REWIBTPUUKKOBV-UHFFFAOYSA-N 1 0 391.107 2.773 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(CCS(=O)(=O)c3cc(Cl)ccc3Cl)CC[C@H]21 ZINC000879568067 662929581 /nfs/dbraw/zinc/92/95/81/662929581.db2.gz XULHUXZFMGUYLU-IUODEOHRSA-N 1 0 377.337 2.793 20 0 GFADRO CC(C)(C)OC(=O)NC[C@@]1(C(C)(C)C)CC[N@H+](CCCS(C)(=O)=O)C1 ZINC000879653085 662934241 /nfs/dbraw/zinc/93/42/41/662934241.db2.gz MJBFWAAMXWIJHM-SFHVURJKSA-N 1 0 376.563 2.684 20 0 GFADRO O=C(NCC[N@@H+]1CCCOCC1)c1ccc(OC(F)F)c(Br)c1 ZINC000879665265 662935126 /nfs/dbraw/zinc/93/51/26/662935126.db2.gz HIPVPSCWJZUIHV-UHFFFAOYSA-N 1 0 393.228 2.503 20 0 GFADRO CS(=O)(=O)N(CC[NH2+][C@@H]1CC=CC[C@H]1C(F)(F)F)Cc1ccccc1 ZINC000879671285 662935743 /nfs/dbraw/zinc/93/57/43/662935743.db2.gz BRLLZKBZCDWBKQ-HZPDHXFCSA-N 1 0 376.444 2.935 20 0 GFADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)Nc1cn(C)nc1Br ZINC000880054803 662948207 /nfs/dbraw/zinc/94/82/07/662948207.db2.gz MDSZBNLFEZJRNW-OCCSQVGLSA-N 1 0 392.301 2.825 20 0 GFADRO C[C@@H](NC(=O)Nc1cn(C)nc1Br)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000880054971 662948286 /nfs/dbraw/zinc/94/82/86/662948286.db2.gz PSINFYUZINYVFZ-NEPJUHHUSA-N 1 0 384.322 2.957 20 0 GFADRO OC[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ncc(-c2ccc(Br)cc2)o1 ZINC000880069550 662950064 /nfs/dbraw/zinc/95/00/64/662950064.db2.gz NYGJACQVNDFYSU-JKSUJKDBSA-N 1 0 392.297 2.745 20 0 GFADRO CN(Cc1cc(Br)cs1)C(=O)CN1CC[C@@H]2[C@H]1CCC[N@@H+]2C ZINC000880132001 662952035 /nfs/dbraw/zinc/95/20/35/662952035.db2.gz DECRFEBUXRIAGP-HUUCEWRRSA-N 1 0 386.359 2.638 20 0 GFADRO C[NH2+]C1(CNC(=O)c2cc(Br)nn2-c2ncccc2Cl)CCC1 ZINC000880194143 662953935 /nfs/dbraw/zinc/95/39/35/662953935.db2.gz NULCFEMSKQKGLM-UHFFFAOYSA-N 1 0 398.692 2.555 20 0 GFADRO COC(=O)C(C)(C)C[N@H+](CC(C)C)C[C@@H](O)c1cc(Br)no1 ZINC000880383871 662958935 /nfs/dbraw/zinc/95/89/35/662958935.db2.gz MNPVMFFTYXDAJJ-LLVKDONJSA-N 1 0 377.279 2.628 20 0 GFADRO O=C(C[N@@H+]1CCCSC[C@H]1c1ccccc1)NC(=O)NCC(F)(F)F ZINC000880386688 662959082 /nfs/dbraw/zinc/95/90/82/662959082.db2.gz JSGUUADQDCQFQM-ZDUSSCGKSA-N 1 0 375.416 2.555 20 0 GFADRO O[C@@H](COc1ccc(Cl)c(Cl)c1)C[NH+]1CCC2(CC1)COCCO2 ZINC000880541073 662962055 /nfs/dbraw/zinc/96/20/55/662962055.db2.gz RSMKZNIBTXVWGZ-CYBMUJFWSA-N 1 0 376.280 2.615 20 0 GFADRO O[C@H](C[N@H+]1Cc2ccccc2N2CCC[C@H]2C1)c1cc(Br)no1 ZINC000880555402 662962598 /nfs/dbraw/zinc/96/25/98/662962598.db2.gz JAXSNGFTQLPYER-DZGCQCFKSA-N 1 0 378.270 2.955 20 0 GFADRO O[C@@H](COc1cc(Cl)cc(Cl)c1)C[N@@H+]1C[C@@H](O)CC2(CCOCC2)C1 ZINC000880580097 662963082 /nfs/dbraw/zinc/96/30/82/662963082.db2.gz ZCYMYHBMKAXJQF-JKSUJKDBSA-N 1 0 390.307 2.597 20 0 GFADRO O[C@@H](COc1ccc(Cl)c(Cl)c1)C[N@@H+]1C[C@@H](O)CC2(CCOCC2)C1 ZINC000880588899 662963665 /nfs/dbraw/zinc/96/36/65/662963665.db2.gz YKOVHSUQRDMXOL-UONOGXRCSA-N 1 0 390.307 2.597 20 0 GFADRO C[NH+](C)Cc1ccnc(NC(=O)NC[C@@H](O)c2ccccc2Br)c1 ZINC000880601565 662963906 /nfs/dbraw/zinc/96/39/06/662963906.db2.gz AVUZEPLGEFLDFS-OAHLLOKOSA-N 1 0 393.285 2.761 20 0 GFADRO CC(=O)c1ccc(Br)c(NC(=O)N[C@@H]2CCC[N@H+](CCCO)C2)c1 ZINC000880807598 662973535 /nfs/dbraw/zinc/97/35/35/662973535.db2.gz BZDODRDUVDPLPT-CQSZACIVSA-N 1 0 398.301 2.620 20 0 GFADRO C[C@@H]([NH3+])c1cn(CC(=O)Nc2ccc(Br)c(C(F)(F)F)c2)nn1 ZINC000881124446 662982143 /nfs/dbraw/zinc/98/21/43/662982143.db2.gz OEGUTMAJFQFBCX-SSDOTTSWSA-N 1 0 392.179 2.718 20 0 GFADRO O=C(Cc1ccc(F)c(Br)c1)N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000881471132 662995110 /nfs/dbraw/zinc/99/51/10/662995110.db2.gz WRZQHCHXURZSAV-HNNXBMFYSA-N 1 0 399.304 2.890 20 0 GFADRO Cc1ccc(C(=O)N2CCC[C@@H]([NH2+]C3CCOCC3)C2)c(Br)n1 ZINC000881473835 662995276 /nfs/dbraw/zinc/99/52/76/662995276.db2.gz AKRHMFLHQDOGOI-CQSZACIVSA-N 1 0 382.302 2.526 20 0 GFADRO NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000881618639 662998228 /nfs/dbraw/zinc/99/82/28/662998228.db2.gz KUMJNUFDDLYKPG-UHFFFAOYSA-N 1 0 384.307 2.939 20 0 GFADRO CN(C1CC[NH+](CCc2ccccn2)CC1)S(=O)(=O)CC=C(Cl)Cl ZINC000881846721 663005698 /nfs/dbraw/zinc/00/56/98/663005698.db2.gz UWOGUPQOIJNDBV-UHFFFAOYSA-N 1 0 392.352 2.669 20 0 GFADRO CC(C)C[N@@H+]1CCC[C@H](CNS(=O)(=O)N=[S@@](C)(=O)C2CCCCC2)C1 ZINC000882006471 663013303 /nfs/dbraw/zinc/01/33/03/663013303.db2.gz ZOAZKUNLDXNHCS-GYCJOSAFSA-N 1 0 393.619 2.619 20 0 GFADRO C[NH+](C)CCc1ccc(CNS(=O)(=O)CC[C@@H]2CC2(Cl)Cl)cc1 ZINC000882112331 663017141 /nfs/dbraw/zinc/01/71/41/663017141.db2.gz UVQAEMWSDCYGFA-OAHLLOKOSA-N 1 0 379.353 2.794 20 0 GFADRO CC[C@H]1C[N@H+](C)CCCN1S(=O)(=O)c1cnc(Cl)cc1C(F)(F)F ZINC000882147334 663018423 /nfs/dbraw/zinc/01/84/23/663018423.db2.gz BKBJANHIATWNQG-JTQLQIEISA-N 1 0 385.839 2.859 20 0 GFADRO Brc1nnc2ccc(NC[C@H]3CC[N@H+](Cc4ccccc4)C3)nn12 ZINC000882284326 663023430 /nfs/dbraw/zinc/02/34/30/663023430.db2.gz RDEORAIZUOILIN-CQSZACIVSA-N 1 0 387.285 2.821 20 0 GFADRO CN(CCCC[NH+]1CCCCC1)S(=O)(=O)c1cncc(Br)c1 ZINC000882799213 663042572 /nfs/dbraw/zinc/04/25/72/663042572.db2.gz UJCNBUPXOCAZRK-UHFFFAOYSA-N 1 0 390.347 2.731 20 0 GFADRO Clc1nc2sccc2c(N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)n1 ZINC000882986541 663046157 /nfs/dbraw/zinc/04/61/57/663046157.db2.gz BKPRGPRRFLSITB-ZDUSSCGKSA-N 1 0 381.933 2.553 20 0 GFADRO COC[C@H]([NH2+]Cc1cc(OC)c(OC)cc1Br)[C@H]1CCCOC1 ZINC000883201978 663051341 /nfs/dbraw/zinc/05/13/41/663051341.db2.gz QTJNYDDVSRYDQV-WFASDCNBSA-N 1 0 388.302 2.998 20 0 GFADRO CC(C)(C)OC(=O)N1CCC(C[NH2+]C[C@H](O)C(F)(F)C(F)(F)F)CC1 ZINC000883367529 663054116 /nfs/dbraw/zinc/05/41/16/663054116.db2.gz RHKQYDJZIOGYMT-NSHDSACASA-N 1 0 376.366 2.782 20 0 GFADRO [NH3+]CCN(CC(F)(F)F)S(=O)(=O)c1cc(Cl)ccc1Br ZINC000883471604 663055634 /nfs/dbraw/zinc/05/56/34/663055634.db2.gz RYALXYDVRCXXAB-UHFFFAOYSA-N 1 0 395.628 2.614 20 0 GFADRO [NH3+]CCCN(CC(F)(F)F)S(=O)(=O)c1csnc1-c1ccccc1 ZINC000883471106 663055659 /nfs/dbraw/zinc/05/56/59/663055659.db2.gz VQMUUDWVLRQJMI-UHFFFAOYSA-N 1 0 379.429 2.712 20 0 GFADRO CCC1([NH3+])CCN(S(=O)(=O)c2cnn(-c3ccc(Cl)cc3)c2C)CC1 ZINC000883483311 663056099 /nfs/dbraw/zinc/05/60/99/663056099.db2.gz AXHFULYRBHDYBF-UHFFFAOYSA-N 1 0 382.917 2.726 20 0 GFADRO [NH3+][C@H]1CCCCCN(C(=O)Nc2cc(Br)cc3c2NC(=O)CO3)C1 ZINC000883593688 663057502 /nfs/dbraw/zinc/05/75/02/663057502.db2.gz PCXKXHPOWIXLQB-NSHDSACASA-N 1 0 397.273 2.515 20 0 GFADRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)c1cc(Br)nn1-c1ncccc1Cl ZINC000884271492 663067762 /nfs/dbraw/zinc/06/77/62/663067762.db2.gz FRVMLYQGYQKDSP-ONGXEEELSA-N 1 0 398.692 2.554 20 0 GFADRO Cc1nc(CC(F)(F)F)sc1CC(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000884290826 663068203 /nfs/dbraw/zinc/06/82/03/663068203.db2.gz JZJLHBWVELWHPZ-ZDUSSCGKSA-N 1 0 375.460 2.947 20 0 GFADRO C[NH2+][C@@H](CC(C)C)C(=O)NCc1nc(-c2cccc(Br)c2)no1 ZINC000884334876 663069114 /nfs/dbraw/zinc/06/91/14/663069114.db2.gz DXSGVZRNZWIFQH-ZDUSSCGKSA-N 1 0 381.274 2.749 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)N[C@H]1C[C@@H]([NH3+])C1(C)C ZINC000884353979 663069609 /nfs/dbraw/zinc/06/96/09/663069609.db2.gz KAUCMUVVTLAFPG-WQVCFCJDSA-N 1 0 384.567 2.593 20 0 GFADRO Cc1csc(C[C@@H]2CCCN(CN3C(=O)C[C@]4(CCSC4)C3=O)C2)n1 ZINC000884473413 663071155 /nfs/dbraw/zinc/07/11/55/663071155.db2.gz WJPBQHIXUSSRNE-KSSFIOAISA-N 1 0 379.551 2.546 20 0 GFADRO COc1cc(Cl)c(S(=O)(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1Cl ZINC000884949269 663079278 /nfs/dbraw/zinc/07/92/78/663079278.db2.gz CJCNSIAJIOGNTM-MNOVXSKESA-N 1 0 379.309 2.907 20 0 GFADRO O=S(=O)(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cccc(OC(F)(F)F)c1F ZINC000884956874 663079537 /nfs/dbraw/zinc/07/95/37/663079537.db2.gz HQDPITFPNSYCKV-WDEREUQCSA-N 1 0 382.379 2.629 20 0 GFADRO C/C(=C\c1ccc(Br)o1)C(=O)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000885892710 663100747 /nfs/dbraw/zinc/10/07/47/663100747.db2.gz BFNFYOWWEMBVAH-WONIAPNHSA-N 1 0 383.286 2.815 20 0 GFADRO O=S(=O)(c1ccc(Cl)s1)N1CCC[N@H+](C[C@H]2C[C@]23CCOC3)CC1 ZINC000885975858 663102192 /nfs/dbraw/zinc/10/21/92/663102192.db2.gz YCQXJICWVCJEMX-CJNGLKHVSA-N 1 0 390.958 2.525 20 0 GFADRO OC[C@H](C[NH2+][C@H]1CCOC2(CCOCC2)C1)Cc1ccc(Br)cc1 ZINC000886092307 663103101 /nfs/dbraw/zinc/10/31/01/663103101.db2.gz TUUCMRHCZQBOEX-WMZOPIPTSA-N 1 0 398.341 2.918 20 0 GFADRO CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]C[C@@H](O)Cc1ccc(F)cc1 ZINC000886239395 663105610 /nfs/dbraw/zinc/10/56/10/663105610.db2.gz VZGOMYPGEDEHRS-INIZCTEOSA-N 1 0 385.888 2.966 20 0 GFADRO Cc1cc(N2C[C@@H]3CSC[C@@H]3C2)nc([C@@H](C)[N@@H+]2C[C@@H]3CSC[C@@H]3C2)n1 ZINC000886568492 663113835 /nfs/dbraw/zinc/11/38/35/663113835.db2.gz LPWJPTKLGIHPOI-UUAJXVIYSA-N 1 0 376.595 2.940 20 0 GFADRO Cc1cc(Br)ccc1CS(=O)(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000886885540 663123450 /nfs/dbraw/zinc/12/34/50/663123450.db2.gz ZJALYIBULJIHQN-UHFFFAOYSA-N 1 0 395.322 2.980 20 0 GFADRO O=S(=O)(NC[C@@H]1C[NH2+]CCC1(F)F)c1cc(C(F)(F)F)ccc1Cl ZINC000886895414 663123881 /nfs/dbraw/zinc/12/38/81/663123881.db2.gz NRPURBMZEKZYLO-VIFPVBQESA-N 1 0 392.777 2.882 20 0 GFADRO O=S(=O)(NC[C@H]1C[NH2+]CCC1(F)F)c1ccc(Cl)c(F)c1Cl ZINC000886897618 663124048 /nfs/dbraw/zinc/12/40/48/663124048.db2.gz CGOXMNJKKAIDNN-SSDOTTSWSA-N 1 0 377.215 2.656 20 0 GFADRO C[C@H]1CN(C(=O)C(=O)Nc2cc(Br)c3ccccc3c2)CC[C@H]1[NH3+] ZINC000886982506 663127107 /nfs/dbraw/zinc/12/71/07/663127107.db2.gz RJOSTWSCKJXSSH-MEDUHNTESA-N 1 0 390.281 2.737 20 0 GFADRO C[C@@H]1CN(C(=O)C(=O)Nc2cc(Br)c3ccccc3c2)CC[C@H]1[NH3+] ZINC000886982504 663127129 /nfs/dbraw/zinc/12/71/29/663127129.db2.gz RJOSTWSCKJXSSH-BDJLRTHQSA-N 1 0 390.281 2.737 20 0 GFADRO [NH3+][C@@H]1CCCN(Cc2cn(Cc3ccc(Br)c(Cl)c3)nn2)C1 ZINC000887445038 663146688 /nfs/dbraw/zinc/14/66/88/663146688.db2.gz WWGGIQWLEPEGNK-GFCCVEGCSA-N 1 0 384.709 2.665 20 0 GFADRO CC[C@H](c1ccc(Br)cc1)n1cc(CN2CCC[C@H]([NH3+])C2)nn1 ZINC000887447344 663147123 /nfs/dbraw/zinc/14/71/23/663147123.db2.gz ZUGPKBAXARLNDE-DOTOQJQBSA-N 1 0 378.318 2.963 20 0 GFADRO C[C@H]1CO[C@@H](C(=O)Nc2cc(Br)ccc2N2CC[NH+](C)CC2)C1 ZINC000887743948 663159963 /nfs/dbraw/zinc/15/99/63/663159963.db2.gz MNCLSHXDRQAHED-MLGOLLRUSA-N 1 0 382.302 2.564 20 0 GFADRO Cn1cc(C(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2)c(Br)n1 ZINC000888954090 663226490 /nfs/dbraw/zinc/22/64/90/663226490.db2.gz FUUNXXQRLPAJII-UHFFFAOYSA-N 1 0 383.265 2.526 20 0 GFADRO CC[C@H](C(=O)N1CCN(C)CC[N@H+](C)CC1)c1ccc(Br)cc1 ZINC000888979475 663227964 /nfs/dbraw/zinc/22/79/64/663227964.db2.gz UZSXKPDGRZIKRX-KRWDZBQOSA-N 1 0 382.346 2.649 20 0 GFADRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)COCCc1ccc(Br)cc1 ZINC000889158790 663233867 /nfs/dbraw/zinc/23/38/67/663233867.db2.gz SMUIUAXBUUZBPX-WMLDXEAASA-N 1 0 383.330 2.807 20 0 GFADRO C[C@H]1C[C@@H](N(C)C(=O)COCCc2ccc(Br)cc2)CC[N@@H+]1C ZINC000889163527 663233944 /nfs/dbraw/zinc/23/39/44/663233944.db2.gz NCAAYAZKWYINDY-YOEHRIQHSA-N 1 0 383.330 2.949 20 0 GFADRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1cn(C)nc1Br ZINC000889362472 663242341 /nfs/dbraw/zinc/24/23/41/663242341.db2.gz LCVNEKFMKLRVGF-BBRMVZONSA-N 1 0 391.313 2.823 20 0 GFADRO O=C(CCCc1ccc(Br)cc1)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000889741076 663261925 /nfs/dbraw/zinc/26/19/25/663261925.db2.gz ATFDUSKOWOPQTM-QZTJIDSGSA-N 1 0 395.341 2.829 20 0 GFADRO CCc1ccc(Br)cc1C(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000889739962 663262070 /nfs/dbraw/zinc/26/20/70/663262070.db2.gz QLZHRQNVIIUAMX-IAGOWNOFSA-N 1 0 381.314 2.683 20 0 GFADRO CSc1cc(Br)ccc1C(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000889748464 663262870 /nfs/dbraw/zinc/26/28/70/663262870.db2.gz FVZALGWTFDEPKU-HUUCEWRRSA-N 1 0 399.354 2.842 20 0 GFADRO O=C(CSc1cccc(Br)c1)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000889760172 663264210 /nfs/dbraw/zinc/26/42/10/663264210.db2.gz CBHWLJQPGCSQTO-HOTGVXAUSA-N 1 0 399.354 2.599 20 0 GFADRO O=C(N1CC[C@H]2[C@H]1CCC[N@H+]2CCO)C1(c2ccc(Br)cc2)CC1 ZINC000889776277 663266111 /nfs/dbraw/zinc/26/61/11/663266111.db2.gz RAUNWNJZOYIPKL-DLBZAZTESA-N 1 0 393.325 2.538 20 0 GFADRO COC[C@H]1C[C@@H](NC(=O)N(CC[NH+](C)C)Cc2ccc(Br)cc2)C1 ZINC000889859066 663272586 /nfs/dbraw/zinc/27/25/86/663272586.db2.gz SUNRNVYHAYMHTN-WOVMCDHWSA-N 1 0 398.345 2.947 20 0 GFADRO CC1(C)CC[N@H+](CCNC(=O)[C@@H]2CCO[C@H]2c2cncc(Br)c2)C1 ZINC000890068380 663283176 /nfs/dbraw/zinc/28/31/76/663283176.db2.gz PQVFEGPOEVCIHB-CVEARBPZSA-N 1 0 396.329 2.770 20 0 GFADRO CC[NH+]1CCC(NC(=O)c2cnc(N(C)C)c(Cl)c2)(C(F)(F)F)CC1 ZINC000891211827 663329859 /nfs/dbraw/zinc/32/98/59/663329859.db2.gz LJQPCOOCJZYJFR-UHFFFAOYSA-N 1 0 378.826 2.948 20 0 GFADRO O=C(NCCc1ccc(Br)s1)NC[C@H]1C[NH2+]CCC1(F)F ZINC000891333713 663336637 /nfs/dbraw/zinc/33/66/37/663336637.db2.gz UUVYMOIUKKIJJE-SECBINFHSA-N 1 0 382.274 2.597 20 0 GFADRO C[N@H+](CCCCNC(=O)[C@H]1Cc2ccc(Br)cc2C(=O)O1)C1CC1 ZINC000891406513 663338682 /nfs/dbraw/zinc/33/86/82/663338682.db2.gz HHWHOQJKLNIQEI-MRXNPFEDSA-N 1 0 395.297 2.521 20 0 GFADRO O=C(NCc1ccc(F)cc1Br)NC[C@H]1C[NH2+]CCC1(F)F ZINC000891412375 663338927 /nfs/dbraw/zinc/33/89/27/663338927.db2.gz LDQBVALIOLBBSV-SNVBAGLBSA-N 1 0 380.208 2.632 20 0 GFADRO COCCC1(NC(=O)N[C@@H]2CCc3c2cccc3Br)CC[NH2+]CC1 ZINC000891503144 663341543 /nfs/dbraw/zinc/34/15/43/663341543.db2.gz YCYLPCJMHJATND-MRXNPFEDSA-N 1 0 396.329 2.894 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)NCc2ccc(Br)c(F)c2)C[C@H]1C(F)(F)F ZINC000891542511 663343281 /nfs/dbraw/zinc/34/32/81/663343281.db2.gz GMJZJAFVJQFLLN-VHSXEESVSA-N 1 0 398.198 2.867 20 0 GFADRO C[C@H](CNC(=O)NCc1cc(N)cc[nH+]1)Oc1ccc(Br)cc1 ZINC000891617128 663345492 /nfs/dbraw/zinc/34/54/92/663345492.db2.gz RLODZQVWRHJKJO-LLVKDONJSA-N 1 0 379.258 2.693 20 0 GFADRO C[C@H]1C[C@@H]([NH3+])CN1C(=O)NC1CCN(Cc2ccc(Br)cc2)CC1 ZINC000891682226 663347325 /nfs/dbraw/zinc/34/73/25/663347325.db2.gz SKSLJZJONKMUKV-XJKSGUPXSA-N 1 0 395.345 2.545 20 0 GFADRO C[C@@H]1C[C@H]([NH3+])CN1C(=O)NCCCOc1ncc(C(F)(F)F)cc1Cl ZINC000891721022 663348719 /nfs/dbraw/zinc/34/87/19/663348719.db2.gz QTQQKTBMBMVOLN-KOLCDFICSA-N 1 0 380.798 2.654 20 0 GFADRO O=C(NC[C@H]1C[NH2+]CCC1(F)F)N[C@@H]1C[C@H]1c1ccccc1Br ZINC000891870466 663353577 /nfs/dbraw/zinc/35/35/77/663353577.db2.gz SOTOROYEMQVERB-SCDSUCTJSA-N 1 0 388.256 2.849 20 0 GFADRO O=C(N[C@@H]1CCOc2c(Br)cccc21)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000891882712 663353977 /nfs/dbraw/zinc/35/39/77/663353977.db2.gz UQNWJRWUGQWCPD-KFWWJZLASA-N 1 0 380.286 2.809 20 0 GFADRO OC1CC[NH+](CCCNc2ccnc(-c3ccc(Br)cc3)n2)CC1 ZINC000891905357 663355143 /nfs/dbraw/zinc/35/51/43/663355143.db2.gz PVCZKIXBELFHHU-UHFFFAOYSA-N 1 0 391.313 2.587 20 0 GFADRO CC(C)c1ccc([C@H]([NH3+])CNC(=O)NCc2c(Br)cnn2C)cc1 ZINC000891994143 663357889 /nfs/dbraw/zinc/35/78/89/663357889.db2.gz UFWPHUVTHIEAJO-OAHLLOKOSA-N 1 0 394.317 2.805 20 0 GFADRO C[C@H](CCCC[NH3+])NC(=O)N(C)C[C@H](O)COc1cc(Cl)cc(Cl)c1 ZINC000892136594 663362927 /nfs/dbraw/zinc/36/29/27/663362927.db2.gz YQGSDOMIWHPIGN-DOMZBBRYSA-N 1 0 392.327 2.892 20 0 GFADRO CCOc1ccc(C[C@@H](C[NH2+]Cc2nc(Br)c[nH]2)C(=O)OC)cc1 ZINC000892402746 663372358 /nfs/dbraw/zinc/37/23/58/663372358.db2.gz YWLGHXYCHCPGPL-ZDUSSCGKSA-N 1 0 396.285 2.692 20 0 GFADRO Cc1ccc([C@H](C[NH2+]Cc2ncc(Br)cc2O)N2CCOCC2)o1 ZINC000892470852 663374826 /nfs/dbraw/zinc/37/48/26/663374826.db2.gz OYRBYDNMTQMBKO-HNNXBMFYSA-N 1 0 396.285 2.614 20 0 GFADRO C[C@]1(Br)C[C@@H]1C[NH2+]C1CCN(CC(=O)Nc2ccccc2)CC1 ZINC000892544555 663376851 /nfs/dbraw/zinc/37/68/51/663376851.db2.gz MQGPBHFRYUODOR-KDOFPFPSSA-N 1 0 380.330 2.853 20 0 GFADRO C[N@@H+]1CCC[C@H](N2CCN(c3nc4cc(Br)ccc4o3)CC2)C1 ZINC000892559775 663377309 /nfs/dbraw/zinc/37/73/09/663377309.db2.gz AIORDQAWYBYWLM-AWEZNQCLSA-N 1 0 379.302 2.807 20 0 GFADRO Clc1nc2[nH]cnc2c(Sc2nnc(C3CC[NH2+]CC3)n2C2CC2)n1 ZINC000892583370 663377918 /nfs/dbraw/zinc/37/79/18/663377918.db2.gz WBFPFRLQLHYUPO-UHFFFAOYSA-N 1 0 376.877 2.551 20 0 GFADRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)c2cnc(Br)c(Br)c2)C1 ZINC000892582892 663377956 /nfs/dbraw/zinc/37/79/56/663377956.db2.gz JRSLVFAWVUEWGT-WAAGHKOSSA-N 1 0 391.107 2.677 20 0 GFADRO CC(C)(C)n1nc(Br)c2c1ncnc2N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000892678516 663380765 /nfs/dbraw/zinc/38/07/65/663380765.db2.gz BMZXBVVCJYIBHA-GFCCVEGCSA-N 1 0 391.317 2.794 20 0 GFADRO CCc1cc(N2CCC[C@@H]([NH2+]Cc3ncc(Br)cc3O)C2)ncn1 ZINC000892886813 663388461 /nfs/dbraw/zinc/38/84/61/663388461.db2.gz XIGGQUMAEYMSSJ-CQSZACIVSA-N 1 0 392.301 2.661 20 0 GFADRO C[C@@H]1CCC[C@H](CC[NH+](C)C)N1C(=O)c1cnn2cc(Br)cnc12 ZINC000893013642 663393107 /nfs/dbraw/zinc/39/31/07/663393107.db2.gz LBQZNKXVFPYCKT-TZMCWYRMSA-N 1 0 394.317 2.827 20 0 GFADRO CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@]2(N(C)C)CCSC2)C[C@@H]1C(F)(F)F ZINC000893099459 663396650 /nfs/dbraw/zinc/39/66/50/663396650.db2.gz YZURSBSMDJDREJ-FQLMCAECSA-N 1 0 382.492 2.924 20 0 GFADRO Cn1ncc(C[NH2+]C[C@@H](O)COc2ccccc2Br)c1C1CC1 ZINC000893171850 663399934 /nfs/dbraw/zinc/39/99/34/663399934.db2.gz KCPRVLRUXJLEIU-CQSZACIVSA-N 1 0 380.286 2.590 20 0 GFADRO CS(=O)(=O)N1CC[C@H](C[NH2+]Cc2c(Br)ccc(Cl)c2F)C1 ZINC000893223967 663402468 /nfs/dbraw/zinc/40/24/68/663402468.db2.gz SQSZISYPUIDDSR-SECBINFHSA-N 1 0 399.713 2.613 20 0 GFADRO CS(=O)(=O)N1CC[C@@H](C[NH2+]Cc2c(Br)ccc(Cl)c2F)C1 ZINC000893223968 663402540 /nfs/dbraw/zinc/40/25/40/663402540.db2.gz SQSZISYPUIDDSR-VIFPVBQESA-N 1 0 399.713 2.613 20 0 GFADRO CO[C@@H]1C[N@H+](C)[C@@](C)(COC(=O)Cc2sc(CC(F)(F)F)nc2C)C1 ZINC000893263302 663404546 /nfs/dbraw/zinc/40/45/46/663404546.db2.gz SDGLDMZQCGFPIF-XHDPSFHLSA-N 1 0 380.432 2.751 20 0 GFADRO Cc1ccccc1C[N@H+]1CCCN(Cc2nc(Br)nn2C)CC1 ZINC000893928634 663432133 /nfs/dbraw/zinc/43/21/33/663432133.db2.gz WUDKWSBGIWQMIB-UHFFFAOYSA-N 1 0 378.318 2.594 20 0 GFADRO C[N@@H+]1CC[C@]2(CCN(c3ncnc4c3c(Br)nn4C(C)(C)C)C2)C1 ZINC000893963260 663433985 /nfs/dbraw/zinc/43/39/85/663433985.db2.gz CNGFDTNRQYANMH-KRWDZBQOSA-N 1 0 393.333 2.876 20 0 GFADRO CC(C)[N@H+](C)CC1CCN(Cc2c(I)cnn2C)CC1 ZINC000893967781 663434200 /nfs/dbraw/zinc/43/42/00/663434200.db2.gz SKQWVZPEBWAMLX-UHFFFAOYSA-N 1 0 390.313 2.577 20 0 GFADRO C[C@@H]1CCN(Cc2nc(Br)nn2C)CC[N@@H+]1Cc1ccccc1 ZINC000894077189 663441340 /nfs/dbraw/zinc/44/13/40/663441340.db2.gz YYURXYZAGUDGQU-CQSZACIVSA-N 1 0 378.318 2.674 20 0 GFADRO O[C@@H](C[NH2+]Cc1sc(N2CCOCC2)nc1Cl)c1c(F)cccc1F ZINC000894289174 663452670 /nfs/dbraw/zinc/45/26/70/663452670.db2.gz JBIFNLQFLNSZLJ-LBPRGKRZSA-N 1 0 389.855 2.735 20 0 GFADRO Cc1cc([C@@](C)(O)C[NH2+]Cc2sc(N3CCOCC3)nc2Cl)c(C)o1 ZINC000894303222 663453291 /nfs/dbraw/zinc/45/32/91/663453291.db2.gz GYFGONUNGCIKBN-KRWDZBQOSA-N 1 0 385.917 2.840 20 0 GFADRO C[C@@H](C[C@@H](O)c1cccs1)[NH2+]Cc1c(I)cnn1C ZINC000894369898 663458770 /nfs/dbraw/zinc/45/87/70/663458770.db2.gz CNJROHXUUJRVOG-JOYOIKCWSA-N 1 0 391.278 2.688 20 0 GFADRO Clc1nc(N2CCOCC2)sc1CNc1cnn(-c2cc[nH+]cc2)c1 ZINC000894394937 663459568 /nfs/dbraw/zinc/45/95/68/663459568.db2.gz XRKMVJAJWOLIHB-UHFFFAOYSA-N 1 0 376.873 2.826 20 0 GFADRO C[C@](CO)([NH2+][C@H]1CCC2(C[C@@H]1F)OCCO2)c1ccc(Br)cc1 ZINC000894401338 663459758 /nfs/dbraw/zinc/45/97/58/663459758.db2.gz CSDDPBUPBNXHOA-HRCADAONSA-N 1 0 388.277 2.880 20 0 GFADRO O=C(Nc1nncs1)C1CC[NH+](Cc2cnc(CC(F)(F)F)s2)CC1 ZINC000894453593 663462724 /nfs/dbraw/zinc/46/27/24/663462724.db2.gz GMEJPKCXZMGLHF-UHFFFAOYSA-N 1 0 391.444 2.950 20 0 GFADRO COC(=O)[C@@H]1[C@H](C[NH2+][C@@H](c2cncc(Br)c2)C2CC2)C1(F)F ZINC000894690716 663476599 /nfs/dbraw/zinc/47/65/99/663476599.db2.gz UMBZRZIBMKHGQR-RWMBFGLXSA-N 1 0 375.213 2.939 20 0 GFADRO Cn1cc(C[NH2+]C[C@@H]2CC23CCSCC3)c(I)n1 ZINC000895028997 663496267 /nfs/dbraw/zinc/49/62/67/663496267.db2.gz BYBLJVUEZOWLPI-NSHDSACASA-N 1 0 377.295 2.648 20 0 GFADRO C[C@@H](Nc1ncnc2cc(F)c(Br)cc21)[C@H]1C[N@H+](C)CCN1C ZINC000895248059 663504996 /nfs/dbraw/zinc/50/49/96/663504996.db2.gz YEECSTNXPGHDAS-MEBBXXQBSA-N 1 0 382.281 2.578 20 0 GFADRO C[C@H](Nc1ncnc2cc(F)c(Br)cc21)[C@H]1C[N@H+](C)CCN1C ZINC000895248061 663505010 /nfs/dbraw/zinc/50/50/10/663505010.db2.gz YEECSTNXPGHDAS-ZUZCIYMTSA-N 1 0 382.281 2.578 20 0 GFADRO Cn1cc(C[NH2+]CCc2ccnc3ccccc23)c(I)n1 ZINC000895249047 663505044 /nfs/dbraw/zinc/50/50/44/663505044.db2.gz ZGZNTQYOCBKQPW-UHFFFAOYSA-N 1 0 392.244 2.905 20 0 GFADRO Fc1ccc2c(c1)OC[C@@H]([NH2+]Cc1sc(N3CCOCC3)nc1Cl)C2 ZINC000895276805 663506503 /nfs/dbraw/zinc/50/65/03/663506503.db2.gz ZHKCUSFRJXSPHJ-ZDUSSCGKSA-N 1 0 383.876 2.866 20 0 GFADRO Cn1nc(Br)nc1C[NH2+]CCc1sccc1Br ZINC000895608420 663520802 /nfs/dbraw/zinc/52/08/02/663520802.db2.gz MCKGAIQKEIGMHA-UHFFFAOYSA-N 1 0 380.109 2.734 20 0 GFADRO Cn1cc(C[NH2+]C[C@]2(C)OCCc3ccccc32)c(I)n1 ZINC000895640441 663521867 /nfs/dbraw/zinc/52/18/67/663521867.db2.gz ULBLAFNESZHBJV-INIZCTEOSA-N 1 0 397.260 2.602 20 0 GFADRO O=C1Nc2ccc(Br)cc2CC[C@@H]1[NH2+]C1CC(n2cccn2)C1 ZINC000895695382 663523452 /nfs/dbraw/zinc/52/34/52/663523452.db2.gz XCHSLYQSDIJWJP-XUJLQICISA-N 1 0 375.270 2.892 20 0 GFADRO O=C(COCCc1ccc(Br)cc1)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000895696939 663523815 /nfs/dbraw/zinc/52/38/15/663523815.db2.gz JEGLZCIHUMSQBC-OAHLLOKOSA-N 1 0 381.314 2.609 20 0 GFADRO Nc1nc(-n2cccn2)cc(N2CCC[C@@H]2c2cncc(Br)c2)[nH+]1 ZINC000895707627 663524080 /nfs/dbraw/zinc/52/40/80/663524080.db2.gz FBAKTQRLJRFTIK-CYBMUJFWSA-N 1 0 386.257 2.744 20 0 GFADRO CCO/C=C\[C@@](O)(C[NH2+]Cc1ccc2c(c1)sc(=O)n2C)C(F)(F)F ZINC000895713450 663524772 /nfs/dbraw/zinc/52/47/72/663524772.db2.gz LKMAPGNXBKERIH-IDTUSYRASA-N 1 0 376.400 2.533 20 0 GFADRO O=S(=O)(c1ccccc1)[C@H]1C[C@H]([NH2+]Cc2ncc(Br)cc2O)C1 ZINC000895824662 663528890 /nfs/dbraw/zinc/52/88/90/663528890.db2.gz HHULFCIPRAVEBP-MQMHXKEQSA-N 1 0 397.294 2.644 20 0 GFADRO COCC[NH+]1CCC(NC(=O)CCCc2ccc(Br)cc2)CC1 ZINC000895889696 663532349 /nfs/dbraw/zinc/53/23/49/663532349.db2.gz ZUFAQBRUGYMEQP-UHFFFAOYSA-N 1 0 383.330 2.999 20 0 GFADRO CC[NH+](CC)C[C@H]1CCN(C(=O)NCc2cc(Br)cnc2OC)C1 ZINC000895982848 663535957 /nfs/dbraw/zinc/53/59/57/663535957.db2.gz GUJRFZHAERHBJK-CYBMUJFWSA-N 1 0 399.333 2.726 20 0 GFADRO CO[C@@H]1CCOC[C@H]1NC(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000896012396 663537467 /nfs/dbraw/zinc/53/74/67/663537467.db2.gz SVBLEVYDMWHCQU-BZUAXINKSA-N 1 0 390.311 2.699 20 0 GFADRO Cn1cc(C(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)c(Br)n1 ZINC000896149590 663542478 /nfs/dbraw/zinc/54/24/78/663542478.db2.gz POKIZWIGEXHCPN-AWEZNQCLSA-N 1 0 383.334 2.911 20 0 GFADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)CCCc1ccc(Br)cc1 ZINC000896224040 663545875 /nfs/dbraw/zinc/54/58/75/663545875.db2.gz ZGBSQTSFEZIWSI-OAHLLOKOSA-N 1 0 382.346 2.524 20 0 GFADRO O=C(NCc1ncc(Br)cn1)NC[C@@H]1CC[N@@H+]1C1CCCCCC1 ZINC000896236413 663546150 /nfs/dbraw/zinc/54/61/50/663546150.db2.gz HTXSBWKVUXKXQA-HNNXBMFYSA-N 1 0 396.333 2.835 20 0 GFADRO C[C@H](CNC(=O)CCCc1ccc(Br)cc1)N1CC[NH+](C)CC1 ZINC000896426827 663556924 /nfs/dbraw/zinc/55/69/24/663556924.db2.gz HNWUTKQDIRAFER-OAHLLOKOSA-N 1 0 382.346 2.524 20 0 GFADRO CN(CCCN1CC[NH+](C)CC1)C(=O)CCCc1ccc(Br)cc1 ZINC000896522141 663560445 /nfs/dbraw/zinc/56/04/45/663560445.db2.gz YLGJMIQYCXLROC-UHFFFAOYSA-N 1 0 396.373 2.868 20 0 GFADRO CCOC(=O)c1nc(NC[C@@H]2CC[N@@H+]2C2CCOCC2)ccc1Br ZINC000896526255 663560457 /nfs/dbraw/zinc/56/04/57/663560457.db2.gz VETNGWORCFIXGK-ZDUSSCGKSA-N 1 0 398.301 2.686 20 0 GFADRO Cc1c2cc(C(=O)N[C@@H](C)[C@@H]3C[N@H+](C)CCN3C)[nH]c2ccc1Br ZINC000896532382 663561377 /nfs/dbraw/zinc/56/13/77/663561377.db2.gz KJUFADCMVHBSKA-SJCJKPOMSA-N 1 0 393.329 2.603 20 0 GFADRO C[C@H](NC(=O)c1cc2cc(Br)ccc2o1)[C@H]1C[N@H+](C)CCN1C ZINC000896570110 663565711 /nfs/dbraw/zinc/56/57/11/663565711.db2.gz JOSJIRWAEWULBS-SMDDNHRTSA-N 1 0 380.286 2.559 20 0 GFADRO Cc1c2cc(Br)ccc2oc1C(=O)N[C@H](C)[C@H]1C[N@H+](C)CCN1C ZINC000896580714 663565901 /nfs/dbraw/zinc/56/59/01/663565901.db2.gz FACLBMXNYJLYQY-IUODEOHRSA-N 1 0 394.313 2.868 20 0 GFADRO COC(=O)c1ccc(C[NH2+]CC2(C3(O)CCOCC3)CC2)cc1Br ZINC000896625287 663568657 /nfs/dbraw/zinc/56/86/57/663568657.db2.gz KQEVAVAZJLTKGW-UHFFFAOYSA-N 1 0 398.297 2.647 20 0 GFADRO CC[NH+](CC)CC1CCN(C(=O)c2nn3c(c2Br)CCC3)CC1 ZINC000896623617 663568790 /nfs/dbraw/zinc/56/87/90/663568790.db2.gz FOCGBRDBEOJFHS-UHFFFAOYSA-N 1 0 383.334 2.786 20 0 GFADRO CC(C)(C)OC(=O)N[C@]1(CO)CCC[N@H+](C[C@H]2C[C@@]2(C)Br)C1 ZINC000896980749 663583769 /nfs/dbraw/zinc/58/37/69/663583769.db2.gz UXJJKTCQJPHGSO-DAXOMENPSA-N 1 0 377.323 2.512 20 0 GFADRO COCCn1cc(C[N@@H+]2CCC[C@@](O)(c3ccc(Br)cc3)C2)cn1 ZINC000897032574 663587660 /nfs/dbraw/zinc/58/76/60/663587660.db2.gz DLDJORAQGZOWLA-SFHVURJKSA-N 1 0 394.313 2.776 20 0 GFADRO OCC[N@@H+]1CCC[C@@H]2[C@@H]1CCN2c1ncc(Br)cc1C(F)(F)F ZINC000897220127 663595047 /nfs/dbraw/zinc/59/50/47/663595047.db2.gz SWNDPBSBILTSTL-QWHCGFSZSA-N 1 0 394.235 2.898 20 0 GFADRO COc1nsc(C[NH2+]CCCONC(=O)OC(C)(C)C)c1Br ZINC000897425670 663605271 /nfs/dbraw/zinc/60/52/71/663605271.db2.gz BFGIYJXEZSZCDL-UHFFFAOYSA-N 1 0 396.307 2.850 20 0 GFADRO C[C@@H]1CC[N@H+](CCNC(=O)N2CCCC[C@@H]2c2ncc(Br)cn2)C1 ZINC000897473454 663607029 /nfs/dbraw/zinc/60/70/29/663607029.db2.gz ZEUOCMWNGDBBTI-UKRRQHHQSA-N 1 0 396.333 2.818 20 0 GFADRO C[N@@H+]1CCCC[C@@H](CNC(=O)N[C@](C)(CO)c2cccc(Br)c2)C1 ZINC000897567195 663611583 /nfs/dbraw/zinc/61/15/83/663611583.db2.gz GTMIJMRBUIFDPP-KBXCAEBGSA-N 1 0 398.345 2.688 20 0 GFADRO O=C1C[C@@H]([NH2+]Cc2ccc(Br)c(Br)c2)CCCN1 ZINC000897763611 663619685 /nfs/dbraw/zinc/61/96/85/663619685.db2.gz OIJYDXWWPXWMQC-JTQLQIEISA-N 1 0 376.092 2.970 20 0 GFADRO C[C@H](NC(=O)C1C[NH+]([C@@H]2CCOC2)C1)c1ccc(C(F)(F)F)nc1Cl ZINC000897844306 663622111 /nfs/dbraw/zinc/62/21/11/663622111.db2.gz IIFBRPFRJLQRIR-GXSJLCMTSA-N 1 0 377.794 2.652 20 0 GFADRO C[C@H](Cc1ccc(O)cc1)[NH2+][C@H]1Cc2cc(Br)cnc2NC1=O ZINC000897977625 663628026 /nfs/dbraw/zinc/62/80/26/663628026.db2.gz GHOOAYIYLYQFPV-BMIGLBTASA-N 1 0 376.254 2.634 20 0 GFADRO Cn1cc([C@@]2(C[NH2+]Cc3c(Cl)n(C)nc3C(F)(F)F)CCCO2)cn1 ZINC000898056636 663631644 /nfs/dbraw/zinc/63/16/44/663631644.db2.gz KWZWAGHDORBYMV-AWEZNQCLSA-N 1 0 377.798 2.621 20 0 GFADRO Cn1cc([C@@]2(C[NH2+]Cc3cc4c(cc3Br)OCO4)CCCO2)cn1 ZINC000898061109 663631876 /nfs/dbraw/zinc/63/18/76/663631876.db2.gz MDWVNBGGAXCDLG-KRWDZBQOSA-N 1 0 394.269 2.707 20 0 GFADRO O=c1cc(N2CC[C@H]([NH2+]Cc3cccc(Br)c3Cl)C2)nc[nH]1 ZINC000898149934 663635366 /nfs/dbraw/zinc/63/53/66/663635366.db2.gz KGMLMTZDPDHGMD-NSHDSACASA-N 1 0 383.677 2.967 20 0 GFADRO O=c1cc(N2CC[C@H]([NH2+][C@@H]3CCc4c3ccc(F)c4Br)C2)nc[nH]1 ZINC000898151694 663635963 /nfs/dbraw/zinc/63/59/63/663635963.db2.gz TWOBMVSTNFELKY-IINYFYTJSA-N 1 0 393.260 2.940 20 0 GFADRO C[C@](CO)([NH2+][C@H]1CCC2(C[C@H]1F)OCCO2)c1cccc(Br)c1 ZINC000898168951 663637054 /nfs/dbraw/zinc/63/70/54/663637054.db2.gz VFCZRZSHTDEJSJ-OWCLPIDISA-N 1 0 388.277 2.880 20 0 GFADRO CCO[P@](C)(=O)CC[C@H](C)[NH2+][C@@H]1CCN(c2cn[nH]c(=O)c2Cl)C1 ZINC000898372675 663645406 /nfs/dbraw/zinc/64/54/06/663645406.db2.gz VYIGIQYUYWTYDU-ZBWQRKBMSA-N 1 0 376.825 2.727 20 0 GFADRO CCn1c(C[NH2+][C@H]2COC[C@H]2C2CC2)nc(Br)c1Br ZINC000898376733 663645603 /nfs/dbraw/zinc/64/56/03/663645603.db2.gz NVSSYRLIPVBGQA-UWVGGRQHSA-N 1 0 393.123 2.943 20 0 GFADRO CC1CCC([NH+]2CCN(C(=O)NCc3ncc(Br)cn3)CC2)CC1 ZINC000898400579 663648681 /nfs/dbraw/zinc/64/86/81/663648681.db2.gz DINRCCNMGLJNDS-UHFFFAOYSA-N 1 0 396.333 2.645 20 0 GFADRO COC(=O)C1CC2(C1)C[C@H]([NH2+]Cc1ccc(Cl)c(C)c1)CCS2(=O)=O ZINC000898487703 663652286 /nfs/dbraw/zinc/65/22/86/663652286.db2.gz FJMNWEJMTGHWFJ-SWKXRBFHSA-N 1 0 385.913 2.637 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCc2ncc(Br)n2C1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000898720609 663660555 /nfs/dbraw/zinc/66/05/55/663660555.db2.gz MHIFNOBUBREOSK-WCQYABFASA-N 1 0 399.333 2.805 20 0 GFADRO Brc1cnc2n1C[C@H]([NH2+]Cc1ccc(N3CCCC3)nc1)CC2 ZINC000898723245 663660853 /nfs/dbraw/zinc/66/08/53/663660853.db2.gz CUOHHUREOOOSFD-CQSZACIVSA-N 1 0 376.302 2.745 20 0 GFADRO CC(C)COC(=O)N1CCC([NH2+][C@H]2CCc3ncc(Br)n3C2)CC1 ZINC000898723898 663661045 /nfs/dbraw/zinc/66/10/45/663661045.db2.gz JLKXLCWJZAXTOB-AWEZNQCLSA-N 1 0 399.333 2.807 20 0 GFADRO C[C@@H](CC(=O)N1CCCCCC1)[NH2+][C@@H]1CCc2ncc(Br)n2C1 ZINC000898724551 663661217 /nfs/dbraw/zinc/66/12/17/663661217.db2.gz NKHUHOOYDWZEIX-UONOGXRCSA-N 1 0 383.334 2.731 20 0 GFADRO Cn1c(=O)sc2cc(C[NH2+][C@H]3CCc4ncc(Br)n4C3)ccc21 ZINC000898724230 663661239 /nfs/dbraw/zinc/66/12/39/663661239.db2.gz MGTBADQQCDNAEO-NSHDSACASA-N 1 0 393.310 2.664 20 0 GFADRO COCCOc1ccc(C[NH2+][C@H]2CCc3ncc(Br)n3C2)cc1 ZINC000898725656 663661647 /nfs/dbraw/zinc/66/16/47/663661647.db2.gz URZRYZAMRXVSBA-AWEZNQCLSA-N 1 0 380.286 2.775 20 0 GFADRO CC(C)(C)OC(=O)NC1CC([NH2+][C@H]2CCc3ncc(Br)n3C2)C1 ZINC000898725182 663661695 /nfs/dbraw/zinc/66/16/95/663661695.db2.gz RTHAYYYNCHLFHX-UNXYVOJBSA-N 1 0 385.306 2.606 20 0 GFADRO CC[C@@H](C)[NH2+][C@H](CNC(=O)c1cc(=O)n(C)cc1Br)c1ccco1 ZINC000899078697 663674519 /nfs/dbraw/zinc/67/45/19/663674519.db2.gz JNQNHCDHJYQONE-BXUZGUMPSA-N 1 0 396.285 2.600 20 0 GFADRO CCC1([NH+]2CCC2)CCN(C(=O)c2cncc(I)c2)CC1 ZINC000899558519 663693635 /nfs/dbraw/zinc/69/36/35/663693635.db2.gz NOVMICIHDZVZDC-UHFFFAOYSA-N 1 0 399.276 2.777 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CNC(=S)NC1(c2ncc(Br)cn2)CCC1 ZINC000899616594 663696178 /nfs/dbraw/zinc/69/61/78/663696178.db2.gz CVHVXUVATTUSIT-CYBMUJFWSA-N 1 0 398.374 2.567 20 0 GFADRO C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)c1[nH]nc(C2CC2)c1Br ZINC000899814502 663700808 /nfs/dbraw/zinc/70/08/08/663700808.db2.gz HYTAAVBOQXEKGA-NSHDSACASA-N 1 0 390.285 2.796 20 0 GFADRO CC(C)[NH+]1CCN(CCC(=O)N(C)Cc2ccccc2Br)CC1 ZINC000899948021 663703433 /nfs/dbraw/zinc/70/34/33/663703433.db2.gz YBQQUQVFKZEGIB-UHFFFAOYSA-N 1 0 382.346 2.824 20 0 GFADRO C[NH+]1CCN(CCCNC(=O)C(C)(C)Cc2ccc(Br)cc2)CC1 ZINC000899991787 663706218 /nfs/dbraw/zinc/70/62/18/663706218.db2.gz ZTIUSVHOMKFTEU-UHFFFAOYSA-N 1 0 396.373 2.772 20 0 GFADRO O=C1Nc2c(cccc2Br)[C@@H]1Cc1nc([C@H]2CCC[NH2+]C2)no1 ZINC000900015226 663706474 /nfs/dbraw/zinc/70/64/74/663706474.db2.gz IRTILQDVEBQGQF-ONGXEEELSA-N 1 0 377.242 2.578 20 0 GFADRO COc1ccc(Br)cc1[C@H](N)c1nc(C2C[C@H]3CC[C@@H](C2)[NH2+]3)no1 ZINC000900015403 663706512 /nfs/dbraw/zinc/70/65/12/663706512.db2.gz AAUWBHQHHPUYGS-TVBVRFQCSA-N 1 0 393.285 2.887 20 0 GFADRO COc1ccc([C@H]([NH2+]C(C)C)C(=O)NCc2cn(C)nc2Br)cc1 ZINC000900282260 663711576 /nfs/dbraw/zinc/71/15/76/663711576.db2.gz OEPUEOQNVLUFPZ-HNNXBMFYSA-N 1 0 395.301 2.547 20 0 GFADRO O=C(Nc1cc(F)c(I)c(F)c1)C12CC[NH+](CC1)C2 ZINC000900466922 663715137 /nfs/dbraw/zinc/71/51/37/663715137.db2.gz JLCHIOGUYYDBMG-UHFFFAOYSA-N 1 0 378.160 2.604 20 0 GFADRO C[C@@H](CNC(=O)C(C)(C)Cc1ccc(Br)cc1)N1CC[NH+](C)CC1 ZINC000900694225 663719820 /nfs/dbraw/zinc/71/98/20/663719820.db2.gz AZEPVDNQXMLOGX-HNNXBMFYSA-N 1 0 396.373 2.770 20 0 GFADRO C[C@@H](NC(=O)C(C)(C)Cc1ccc(Br)cc1)[C@H]1C[N@H+](C)CCN1C ZINC000900806211 663721821 /nfs/dbraw/zinc/72/18/21/663721821.db2.gz SLKARGXVMVRXAK-RHSMWYFYSA-N 1 0 396.373 2.768 20 0 GFADRO CCn1cnc(C[NH2+]CCC(=O)N(C)Cc2ccccc2Br)c1 ZINC000902226809 663757313 /nfs/dbraw/zinc/75/73/13/663757313.db2.gz PUORTHSFEMXHAF-UHFFFAOYSA-N 1 0 379.302 2.804 20 0 GFADRO CC(=O)N(c1nn(CN2CC[N@@H+](C)C[C@@H]2CC(C)C)c(=S)s1)C1CC1 ZINC000902542444 663762905 /nfs/dbraw/zinc/76/29/05/663762905.db2.gz LFBCJKIZOZIORV-HNNXBMFYSA-N 1 0 383.587 2.809 20 0 GFADRO O=C1Nc2ncc(Br)cc2C[C@@H]1[NH2+][C@H]1CCc2cccnc2CC1 ZINC000902693999 663766251 /nfs/dbraw/zinc/76/62/51/663766251.db2.gz WAPDVXPFFXNYKQ-HOCLYGCPSA-N 1 0 387.281 2.640 20 0 GFADRO O=C1Nc2ncc(Br)cc2C[C@H]1[NH2+][C@H]1CCc2cccnc2CC1 ZINC000902693998 663766278 /nfs/dbraw/zinc/76/62/78/663766278.db2.gz WAPDVXPFFXNYKQ-GOEBONIOSA-N 1 0 387.281 2.640 20 0 GFADRO C[NH+]1C[C@]2(C)CN(C(=O)c3nc(C4CC4)ncc3Br)C[C@@]2(C)C1 ZINC000902806716 663767710 /nfs/dbraw/zinc/76/77/10/663767710.db2.gz NCIXIPKGYVCCEM-IAGOWNOFSA-N 1 0 379.302 2.530 20 0 GFADRO O=S(=O)(N1CCC(C[NH2+][C@H](c2ccccn2)C2CC2)CC1)C(F)(F)F ZINC000903097395 663773518 /nfs/dbraw/zinc/77/35/18/663773518.db2.gz SFTQFMHGXGNSOZ-HNNXBMFYSA-N 1 0 377.432 2.684 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CC[NH2+][C@@H]1CCO[C@]12CCOC2 ZINC000903119477 663774556 /nfs/dbraw/zinc/77/45/56/663774556.db2.gz KVSRTQTWIZAVGV-WBVHZDCISA-N 1 0 383.286 2.624 20 0 GFADRO CC(C)N1CC[C@H]([NH2+][C@@H](C)c2cccc(S(=O)(=O)C(F)(F)F)c2)C1=O ZINC000903121008 663774559 /nfs/dbraw/zinc/77/45/59/663774559.db2.gz RGSNBEVJJUWMGB-FZMZJTMJSA-N 1 0 378.416 2.640 20 0 GFADRO C[C@@H]([NH2+]CC1([S@](C)=O)CCC1)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000903167194 663776742 /nfs/dbraw/zinc/77/67/42/663776742.db2.gz IBXPLHPJESGIMS-BGJPBQGDSA-N 1 0 383.457 2.932 20 0 GFADRO O=S(=O)(c1ccc(Cl)cc1Br)N1CCC([NH+]2CCC2)CC1 ZINC000903204535 663778481 /nfs/dbraw/zinc/77/84/81/663778481.db2.gz SCNVVMICLCLPPC-UHFFFAOYSA-N 1 0 393.734 2.961 20 0 GFADRO C[C@H]([NH2+]C[C@@H]1CCCC[C@@H]1NS(C)(=O)=O)c1ccc(C(F)(F)F)cn1 ZINC000903232330 663779791 /nfs/dbraw/zinc/77/97/91/663779791.db2.gz WACKTHABKBEONJ-HUBLWGQQSA-N 1 0 379.448 2.859 20 0 GFADRO C[C@H]([NH2+]C[C@@H]1CCCC[C@H]1NS(C)(=O)=O)c1ccc(Br)cn1 ZINC000903234823 663780163 /nfs/dbraw/zinc/78/01/63/663780163.db2.gz PUYQUJDACGOEON-SLEUVZQESA-N 1 0 390.347 2.603 20 0 GFADRO Cc1c([C@H](C)[NH2+]C2CC(CC(N)=O)C2)nnn1-c1cccc(Br)c1 ZINC000903259681 663780758 /nfs/dbraw/zinc/78/07/58/663780758.db2.gz FVLDQFLTHZZPIT-JKDOVBDQSA-N 1 0 392.301 2.643 20 0 GFADRO CC[C@@H](Cc1ccc(Br)cc1)[NH2+]C[C@]1(OC)CCS(=O)(=O)C1 ZINC000903362246 663782503 /nfs/dbraw/zinc/78/25/03/663782503.db2.gz CTSROADVTMHKJO-JKSUJKDBSA-N 1 0 390.343 2.564 20 0 GFADRO O=c1cc(N2CC[C@@H]([NH2+][C@H]3CCc4c3c(Br)ccc4F)C2)nc[nH]1 ZINC000903394457 663783526 /nfs/dbraw/zinc/78/35/26/663783526.db2.gz CXHWOGQYIZBZDY-YGRLFVJLSA-N 1 0 393.260 2.940 20 0 GFADRO Cc1cc(Br)ccc1C(=O)N1CCC([NH2+][C@@H]2COC[C@H]2C)CC1 ZINC000903396499 663783672 /nfs/dbraw/zinc/78/36/72/663783672.db2.gz RFJXMPJUSRVJPE-CXAGYDPISA-N 1 0 381.314 2.987 20 0 GFADRO [NH3+][C@@H]1CCO[C@H](C2CCN(S(=O)(=O)c3cc4ccccc4s3)CC2)C1 ZINC000903504360 663785870 /nfs/dbraw/zinc/78/58/70/663785870.db2.gz SOFXRCLILGDWML-CVEARBPZSA-N 1 0 380.535 2.808 20 0 GFADRO [NH3+][C@@H]1CN(CCS(=O)(=O)c2cc(Cl)ccc2Cl)C[C@H]1C(F)(F)F ZINC000903519517 663787020 /nfs/dbraw/zinc/78/70/20/663787020.db2.gz XZIMOMLDPSXYJO-MWLCHTKSSA-N 1 0 391.242 2.589 20 0 GFADRO CN(Cc1c(F)cccc1Cl)S(=O)(=O)N1CCC(C(C)(C)C[NH3+])CC1 ZINC000903522495 663787095 /nfs/dbraw/zinc/78/70/95/663787095.db2.gz GSVWICNJXMSJRZ-UHFFFAOYSA-N 1 0 391.940 2.853 20 0 GFADRO CN(Cc1c(F)cccc1Cl)C(=O)CN1CC[C@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903533478 663787469 /nfs/dbraw/zinc/78/74/69/663787469.db2.gz CYOPCSDSPILKDC-SMDDNHRTSA-N 1 0 381.801 2.649 20 0 GFADRO Cc1ccc(NC(=O)CN2CC[C@H](C(F)(F)F)[C@@H]([NH3+])C2)c(Br)c1 ZINC000903533133 663787498 /nfs/dbraw/zinc/78/74/98/663787498.db2.gz BJYNWKMNNOKXLB-JQWIXIFHSA-N 1 0 394.235 2.908 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CN1CC[C@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903534085 663787601 /nfs/dbraw/zinc/78/76/01/663787601.db2.gz KBASSJKXGQJJDH-NWDGAFQWSA-N 1 0 394.235 2.908 20 0 GFADRO O=S(=O)(N[C@H]1C[NH2+]CC2(CCOCC2)C1)c1c(Cl)cc(F)cc1Cl ZINC000903544889 663788057 /nfs/dbraw/zinc/78/80/57/663788057.db2.gz LQHKATAOANACHB-LLVKDONJSA-N 1 0 397.299 2.570 20 0 GFADRO O=S(=O)(N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)c1ccc(Br)cc1C(F)(F)F ZINC000903560539 663788782 /nfs/dbraw/zinc/78/87/82/663788782.db2.gz IIDSWRMCSQCJND-JMJZKYOTSA-N 1 0 399.232 2.639 20 0 GFADRO [NH3+][C@@H]1CN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)C[C@H]1C(F)(F)F ZINC000903570211 663789078 /nfs/dbraw/zinc/78/90/78/663789078.db2.gz VXMLDPXZVHPLTF-PSASIEDQSA-N 1 0 396.740 2.869 20 0 GFADRO [NH3+][C@@H]1CN(S(=O)(=O)/C=C/c2cccc(Br)c2)C[C@H]1C(F)(F)F ZINC000903570725 663789091 /nfs/dbraw/zinc/78/90/91/663789091.db2.gz ZRPIDMUUYXUIJP-GKUNOOHESA-N 1 0 399.232 2.571 20 0 GFADRO [NH3+][C@@H]1CN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC[C@H]1C(F)(F)F ZINC000903577430 663789815 /nfs/dbraw/zinc/78/98/15/663789815.db2.gz KQORPMPJPFWZNZ-GHMZBOCLSA-N 1 0 376.322 2.606 20 0 GFADRO [NH3+][C@H]1CN(S(=O)(=O)c2csc(-c3ccccc3)n2)CC[C@H]1C(F)(F)F ZINC000903578242 663789946 /nfs/dbraw/zinc/78/99/46/663789946.db2.gz DJBIMQPMBXHLTO-NEPJUHHUSA-N 1 0 391.440 2.710 20 0 GFADRO [NH3+][C@@H]1CN(S(=O)(=O)c2cccc(Cl)c2Cl)CC[C@@H]1C(F)(F)F ZINC000903579026 663790088 /nfs/dbraw/zinc/79/00/88/663790088.db2.gz LEUWEIRUDBVRBE-IONNQARKSA-N 1 0 377.215 2.894 20 0 GFADRO [NH3+]C[C@]12CC[C@H]1CCN2S(=O)(=O)c1cc(Cl)ccc1Br ZINC000903590622 663790881 /nfs/dbraw/zinc/79/08/81/663790881.db2.gz XUMGJDQAJWRZOG-TVQRCGJNSA-N 1 0 379.707 2.604 20 0 GFADRO Brc1ccc([C@H]2CN(C[C@H]3CC4(CO3)CC[NH2+]CC4)CCO2)cc1 ZINC000903727908 663805303 /nfs/dbraw/zinc/80/53/03/663805303.db2.gz ZDJZUQDTEMHOIL-QZTJIDSGSA-N 1 0 395.341 2.981 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CN1CC[NH2+]CCC12CCOCC2 ZINC000903814604 663807519 /nfs/dbraw/zinc/80/75/19/663807519.db2.gz FLZYJWDEDAYGEF-UHFFFAOYSA-N 1 0 396.329 2.541 20 0 GFADRO C[C@]12CCN(C[C@H]([NH3+])CC(F)F)C[C@H]1C2(Br)Br ZINC000903932779 663812512 /nfs/dbraw/zinc/81/25/12/663812512.db2.gz GVNNIYXZZSPFQS-MRTMQBJTSA-N 1 0 376.083 2.797 20 0 GFADRO Brc1cc2c(s1)CCN(Cc1cnnn1[C@@H]1CCC[NH2+]C1)C2 ZINC000903933877 663812535 /nfs/dbraw/zinc/81/25/35/663812535.db2.gz XOVFGVDFDBGNNV-GFCCVEGCSA-N 1 0 382.331 2.585 20 0 GFADRO CN1CC[NH+](CCCCNC(=O)N(O)Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000904170002 663826960 /nfs/dbraw/zinc/82/69/60/663826960.db2.gz BSMUUYNVCKOBGI-UHFFFAOYSA-N 1 0 389.327 2.922 20 0 GFADRO COc1ccc(NC(=O)N2CC[NH2+]CCC23CCOCC3)cc1Br ZINC000904341119 663831043 /nfs/dbraw/zinc/83/10/43/663831043.db2.gz INGSTXPIUKTGOO-UHFFFAOYSA-N 1 0 398.301 2.834 20 0 GFADRO [NH3+]C1(CNC(=O)Nc2ccc(CCn3cc(Br)cn3)cc2)CC1 ZINC000904350820 663831301 /nfs/dbraw/zinc/83/13/01/663831301.db2.gz PWWZCIMHYKZOHP-UHFFFAOYSA-N 1 0 378.274 2.501 20 0 GFADRO Brc1ccc(Br)c(CNC[C@@H]2C[NH2+]CCCO2)c1 ZINC000904358673 663831423 /nfs/dbraw/zinc/83/14/23/663831423.db2.gz RHFUSDUWAPMOOD-LBPRGKRZSA-N 1 0 378.108 2.680 20 0 GFADRO [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)Nc1ccc(F)cc1I)C2 ZINC000904365136 663831831 /nfs/dbraw/zinc/83/18/31/663831831.db2.gz WZIGRGSCJIWBGB-GDPRMGEGSA-N 1 0 389.212 2.774 20 0 GFADRO Cc1nc(Br)ccc1NC(=O)N1CC[NH2+]CCC12CCOCC2 ZINC000904402895 663832829 /nfs/dbraw/zinc/83/28/29/663832829.db2.gz VVWRHWLNOPQDLE-UHFFFAOYSA-N 1 0 383.290 2.529 20 0 GFADRO COC(=O)c1cc(NC(=O)N2CC[C@@H]3CC[C@]32C[NH3+])ccc1Br ZINC000904407350 663833097 /nfs/dbraw/zinc/83/30/97/663833097.db2.gz UIYHICQOCTWREW-QFYYESIMSA-N 1 0 382.258 2.581 20 0 GFADRO CC(C)(C[NH3+])C1CCN(C(=O)Nc2ccc(Cl)c(S(C)(=O)=O)c2)CC1 ZINC000904443960 663834794 /nfs/dbraw/zinc/83/47/94/663834794.db2.gz MRZXXYPSVXXBFY-UHFFFAOYSA-N 1 0 387.933 2.972 20 0 GFADRO COCC[C@@H]1C[NH2+]CCN1C(=O)Nc1cc(-c2ccc(Cl)s2)nn1C ZINC000904451466 663835106 /nfs/dbraw/zinc/83/51/06/663835106.db2.gz DOJCSNNDAKKYPA-LLVKDONJSA-N 1 0 383.905 2.644 20 0 GFADRO Cc1nn(C)c(CN[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1Br ZINC000904473446 663835707 /nfs/dbraw/zinc/83/57/07/663835707.db2.gz QVVHDWZBXFERHT-RDTXWAMCSA-N 1 0 391.313 2.837 20 0 GFADRO COC(=O)c1cc(NC(=O)N2CC[C@@H]3CC[C@@]32C[NH3+])c(C)cc1Br ZINC000904486245 663836265 /nfs/dbraw/zinc/83/62/65/663836265.db2.gz YYWASNVWWONMRV-APPDUMDISA-N 1 0 396.285 2.889 20 0 GFADRO Cc1c(I)ccc(NC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)c1C ZINC000904536903 663836907 /nfs/dbraw/zinc/83/69/07/663836907.db2.gz GHODHXWMRFSRLZ-DDTOSNHZSA-N 1 0 385.249 2.922 20 0 GFADRO O=C(NCc1noc(C2=CCC[NH2+]CC2)n1)c1ccc(Br)cc1 ZINC000904714619 663842104 /nfs/dbraw/zinc/84/21/04/663842104.db2.gz ZOEQYXONELVCHH-UHFFFAOYSA-N 1 0 377.242 2.529 20 0 GFADRO O[C@H](C[NH2+][C@@H]1CCN(c2ccc(Br)cc2)C1)CC1(O)CCCC1 ZINC000905099161 663853136 /nfs/dbraw/zinc/85/31/36/663853136.db2.gz YZDXTSARFMKTSL-WBVHZDCISA-N 1 0 383.330 2.674 20 0 GFADRO CC[C@H](C[NH2+]C[C@@H](O)C[C@@]1(O)CCOC1)Cc1cccc(Br)c1 ZINC000905128594 663854155 /nfs/dbraw/zinc/85/41/55/663854155.db2.gz SKJIJKIPMWZYEQ-WBAXXEDZSA-N 1 0 386.330 2.510 20 0 GFADRO CC[C@H](CS(=O)(=O)c1ccccc1)[NH2+]C[C@](C)(O)C(F)(F)C(F)(F)F ZINC000905179197 663856975 /nfs/dbraw/zinc/85/69/75/663856975.db2.gz HULHQNMIBMCOQN-YPMHNXCESA-N 1 0 389.386 2.777 20 0 GFADRO Cc1cc(Br)cn2cc(C[NH2+]C[C@@H](O)CC3(CO)CCCC3)nc12 ZINC000905215191 663859389 /nfs/dbraw/zinc/85/93/89/663859389.db2.gz ZKVAOWLSSNZALH-INIZCTEOSA-N 1 0 396.329 2.799 20 0 GFADRO O=C(N1CCN(c2cc[nH+]cc2)CC1)C(F)(F)c1ncccc1Br ZINC000905361178 663867562 /nfs/dbraw/zinc/86/75/62/663867562.db2.gz ZHLBONHVKSQQOO-UHFFFAOYSA-N 1 0 397.223 2.680 20 0 GFADRO O[C@@H](C[NH2+][C@@H]1CCCCc2cc(Br)ccc21)C1(O)CCOCC1 ZINC000905382853 663868554 /nfs/dbraw/zinc/86/85/54/663868554.db2.gz RUECJXOUDWMGJJ-SJORKVTESA-N 1 0 384.314 2.709 20 0 GFADRO O[C@H](C[NH2+][C@H]1CCCCc2cc(Br)ccc21)C[C@@]1(O)CCOC1 ZINC000905385140 663868825 /nfs/dbraw/zinc/86/88/25/663868825.db2.gz XFMAJBQEQFIPFO-SZMVWBNQSA-N 1 0 384.314 2.709 20 0 GFADRO OCC1(C[C@H](O)C[NH2+][C@@H]2[C@H]3Cc4cc(Br)ccc4[C@@H]23)CCCC1 ZINC000905397282 663869522 /nfs/dbraw/zinc/86/95/22/663869522.db2.gz BEWZTGXOQXMIJS-DZJNRPSUSA-N 1 0 380.326 2.981 20 0 GFADRO C[C@@](O)(C[NH2+]Cc1ccnc(N2CCSCC2)c1)C(F)(F)C(F)(F)F ZINC000905402194 663869960 /nfs/dbraw/zinc/86/99/60/663869960.db2.gz AFMMVEMOOOPLAN-CYBMUJFWSA-N 1 0 385.402 2.673 20 0 GFADRO O=S1(=O)CCC(O)(C[NH2+]Cc2ccc3ccc(Br)cc3c2)CC1 ZINC000905416825 663870555 /nfs/dbraw/zinc/87/05/55/663870555.db2.gz DMCGKOMFGQORDN-UHFFFAOYSA-N 1 0 398.322 2.632 20 0 GFADRO C[C@](O)(C[NH2+]CC[C@@H]1CCC2(CCOCC2)CO1)C(F)(F)C(F)(F)F ZINC000905472109 663873132 /nfs/dbraw/zinc/87/31/32/663873132.db2.gz CXQHDLYNBJZAHS-STQMWFEESA-N 1 0 375.378 2.891 20 0 GFADRO CC(C)(C)OC(=O)N1CCC(F)(F)[C@@H](C[NH2+]C[C@@](C)(O)C(F)(F)F)C1 ZINC000905493061 663873890 /nfs/dbraw/zinc/87/38/90/663873890.db2.gz QFECHFTXUFJHPW-GXFFZTMASA-N 1 0 376.366 2.782 20 0 GFADRO O[C@@H](C[NH2+]C[C@@H]1CCN1C1CCOCC1)COc1ccc(Cl)c(Cl)c1 ZINC000905620144 663881893 /nfs/dbraw/zinc/88/18/93/663881893.db2.gz CFBIBAVCSDWSJT-GJZGRUSLSA-N 1 0 389.323 2.576 20 0 GFADRO O[C@H](C[NH2+]C[C@@H]1CCN1C1CCOCC1)COc1ccc(Cl)cc1Cl ZINC000905623949 663882301 /nfs/dbraw/zinc/88/23/01/663882301.db2.gz JQHMZZYKVYIFEL-JKSUJKDBSA-N 1 0 389.323 2.576 20 0 GFADRO Cn1cc([C@@]2(C[NH2+]C[C@H](O)c3ccccc3Br)CCCO2)cn1 ZINC000905688634 663886310 /nfs/dbraw/zinc/88/63/10/663886310.db2.gz XMVMVWLRUVTZAJ-IRXDYDNUSA-N 1 0 380.286 2.512 20 0 GFADRO COC(=O)C1CC2(C1)C[C@@H]([NH2+]C[C@](C)(O)C(F)(F)C(F)(F)F)CCS2 ZINC000905698281 663887219 /nfs/dbraw/zinc/88/72/19/663887219.db2.gz ZGHFBXWZOPHPFH-QCNJJUDDSA-N 1 0 391.402 2.742 20 0 GFADRO C[C@@]1([C@H]2CCCN(Cn3ncc4c3cccc4Br)C2)COC(=O)N1 ZINC000905709246 663888129 /nfs/dbraw/zinc/88/81/29/663888129.db2.gz ZIQROOGMHPBUAO-SJCJKPOMSA-N 1 0 393.285 2.967 20 0 GFADRO C[C@@H]1[C@H](C)OC[C@]12CC[C@H](C[NH2+][C@H](C(N)=O)c1cccc(Br)c1)O2 ZINC000905842477 663896261 /nfs/dbraw/zinc/89/62/61/663896261.db2.gz NWIJYMZSWHDVGH-OCNLAWHFSA-N 1 0 397.313 2.538 20 0 GFADRO C[C@@H]([NH2+][C@@H]1CCOc2ccc(Br)cc21)C(=O)NCC(F)(F)F ZINC000905856398 663897114 /nfs/dbraw/zinc/89/71/14/663897114.db2.gz OYBHBEHUDRITGT-LDYMZIIASA-N 1 0 381.192 2.929 20 0 GFADRO CC(C)(C)[S@@](C)(=O)=NS(=O)(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000906058273 663915936 /nfs/dbraw/zinc/91/59/36/663915936.db2.gz TYMFSQXZVZVPPC-XMMPIXPASA-N 1 0 387.571 2.878 20 0 GFADRO C[C@@H](CNC(=O)C(F)(F)c1ncccc1Br)C[NH+]1CCCC1 ZINC000906320145 663937809 /nfs/dbraw/zinc/93/78/09/663937809.db2.gz WRBJDODQTCJTSB-NSHDSACASA-N 1 0 376.245 2.784 20 0 GFADRO CCC[NH+]1CCC(N(C)C(=O)c2cc(Br)cn(C3CC3)c2=O)CC1 ZINC000906371889 663942277 /nfs/dbraw/zinc/94/22/77/663942277.db2.gz RWSNNVQZYADGCZ-UHFFFAOYSA-N 1 0 396.329 2.892 20 0 GFADRO CC[NH+]1CCC(n2nccc2NC(=O)C[C@H](O)C(Cl)(Cl)Cl)CC1 ZINC000906523321 663955668 /nfs/dbraw/zinc/95/56/68/663955668.db2.gz GVVONMYQCVVDQJ-NSHDSACASA-N 1 0 383.707 2.600 20 0 GFADRO CCc1cc(C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)ccc1Br ZINC000906712567 663966549 /nfs/dbraw/zinc/96/65/49/663966549.db2.gz WAMLAZYWWPRCLX-QGZVFWFLSA-N 1 0 394.357 2.864 20 0 GFADRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)c1cc(Br)cn(C2CC2)c1=O ZINC000906816891 663973579 /nfs/dbraw/zinc/97/35/79/663973579.db2.gz KCMXALPZEKEHOL-CQSZACIVSA-N 1 0 396.329 2.892 20 0 GFADRO CC1(C)CN(C(=O)c2ccc(Cn3cc(Br)cn3)s2)CC[NH2+]1 ZINC000906897144 663980099 /nfs/dbraw/zinc/98/00/99/663980099.db2.gz WBDFMVSBZSKORC-UHFFFAOYSA-N 1 0 383.315 2.579 20 0 GFADRO COc1ncccc1S(=O)(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000906988641 663989343 /nfs/dbraw/zinc/98/93/43/663989343.db2.gz ZLNRHEYPMHCAAS-CZUORRHYSA-N 1 0 381.523 2.513 20 0 GFADRO C[NH+](C)CCCC1CCN(S(=O)(=O)c2c[nH]c3ncc(Cl)cc23)CC1 ZINC000907086021 664000957 /nfs/dbraw/zinc/00/09/57/664000957.db2.gz QJMASIFPJLVXNJ-UHFFFAOYSA-N 1 0 384.933 2.959 20 0 GFADRO CC(C)[NH+]1CCN(CCCC(=O)N2CCSC[C@@H]2c2nccs2)CC1 ZINC000907455301 664036058 /nfs/dbraw/zinc/03/60/58/664036058.db2.gz HPBIUISEOCWZLX-MRXNPFEDSA-N 1 0 382.599 2.566 20 0 GFADRO CN(Cc1ccc(Br)cc1Cl)C(=O)[C@]1(C)C[C@H](O)C[N@@H+]1C ZINC000907697547 664054160 /nfs/dbraw/zinc/05/41/60/664054160.db2.gz AGLATZJUMJIWBL-WFASDCNBSA-N 1 0 375.694 2.516 20 0 GFADRO CN(Cc1ccc(Br)cc1Cl)C(=O)[C@@]1(C)C[C@@H](O)C[N@@H+]1C ZINC000907697545 664054262 /nfs/dbraw/zinc/05/42/62/664054262.db2.gz AGLATZJUMJIWBL-IUODEOHRSA-N 1 0 375.694 2.516 20 0 GFADRO C[N@@H+]1C[C@@H](O)C[C@@]1(C)C(=O)N1CCC(c2cccc(Br)c2)CC1 ZINC000907979957 664075263 /nfs/dbraw/zinc/07/52/63/664075263.db2.gz OHLDLAMYNYOSEP-WMZOPIPTSA-N 1 0 381.314 2.610 20 0 GFADRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1cc(Br)cn(C2CC2)c1=O ZINC000908190075 664090763 /nfs/dbraw/zinc/09/07/63/664090763.db2.gz NVOQYUCTAIDXBK-BLLLJJGKSA-N 1 0 394.313 2.645 20 0 GFADRO CC(C)[NH2+]C1(CO)CCN(C(=O)COc2ccc(Cl)cc2Cl)CC1 ZINC000908585964 664115731 /nfs/dbraw/zinc/11/57/31/664115731.db2.gz FUGNSFBNSWEMQT-UHFFFAOYSA-N 1 0 375.296 2.724 20 0 GFADRO CC(C)[NH2+]C1(CO)CCN(C(=O)c2ccc(OC(F)F)c(Cl)c2)CC1 ZINC000908609281 664117754 /nfs/dbraw/zinc/11/77/54/664117754.db2.gz DFDLZVGSGYTKEQ-UHFFFAOYSA-N 1 0 376.831 2.907 20 0 GFADRO CC(C)[NH+]1CCN(CCC(=O)NC/C=C/c2ccc(Br)cc2)CC1 ZINC000908674411 664121266 /nfs/dbraw/zinc/12/12/66/664121266.db2.gz OFIHKHXLKNKHHH-ONEGZZNKSA-N 1 0 394.357 2.995 20 0 GFADRO C[C@@H](NC(=O)C[C@@]1(O)CCC[N@H+](C)C1)c1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC000908875881 664133254 /nfs/dbraw/zinc/13/32/54/664133254.db2.gz KUHHEZZAIXNMOF-QGHHPUGFSA-N 1 0 385.295 2.894 20 0 GFADRO Cc1cc(C[NH+](C)C)ccc1NC(=O)Cn1cc(Br)ccc1=O ZINC000909614668 664165255 /nfs/dbraw/zinc/16/52/55/664165255.db2.gz NPVZHPXVVJAXBS-UHFFFAOYSA-N 1 0 378.270 2.620 20 0 GFADRO CC[N@@H+]1CCCN(C(=O)C(F)(F)c2ncccc2Br)[C@@H](C)C1 ZINC000910269129 664203850 /nfs/dbraw/zinc/20/38/50/664203850.db2.gz HXWDIBVLSWOHER-NSHDSACASA-N 1 0 376.245 2.879 20 0 GFADRO CC[N@@H+]1CCCN(C(=O)CSc2nnc(-c3cccs3)n2C)[C@H](C)C1 ZINC000910285107 664204343 /nfs/dbraw/zinc/20/43/43/664204343.db2.gz OTCQWUHMGUGQIA-CYBMUJFWSA-N 1 0 379.555 2.578 20 0 GFADRO CC[N@@H+]1CCCN(C(=O)CSc2nnc(-c3cccs3)n2C)[C@@H](C)C1 ZINC000910285108 664204433 /nfs/dbraw/zinc/20/44/33/664204433.db2.gz OTCQWUHMGUGQIA-ZDUSSCGKSA-N 1 0 379.555 2.578 20 0 GFADRO C[NH2+]C[C@@H]1CCCN(C(=O)c2cc(Br)c(Br)[nH]2)C1 ZINC000911630532 664250730 /nfs/dbraw/zinc/25/07/30/664250730.db2.gz RIWWMOGJSHVEBU-QMMMGPOBSA-N 1 0 379.096 2.611 20 0 GFADRO COc1ccccc1[C@@H]([NH3+])CNC(=O)c1nc(C(C)C)ncc1Br ZINC000911665361 664252089 /nfs/dbraw/zinc/25/20/89/664252089.db2.gz POGHTWZJCFNZPT-ZDUSSCGKSA-N 1 0 393.285 2.801 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)c1cc(Br)cnc1Br ZINC000911685980 664253022 /nfs/dbraw/zinc/25/30/22/664253022.db2.gz XENQWYVGTHSYLI-KWQFWETISA-N 1 0 391.107 2.949 20 0 GFADRO Cc1c(Br)ccc(F)c1C(=O)Nc1ccc(N2CC[NH2+]CC2)cn1 ZINC000911735000 664254750 /nfs/dbraw/zinc/25/47/50/664254750.db2.gz GACIOFKVVIGRHH-UHFFFAOYSA-N 1 0 393.260 2.954 20 0 GFADRO C[NH2+][C@@H]1CCCN(C(=O)c2ccc(Cn3cc(Br)cn3)s2)C1 ZINC000911736040 664254810 /nfs/dbraw/zinc/25/48/10/664254810.db2.gz GNHQCBAECODEET-GFCCVEGCSA-N 1 0 383.315 2.579 20 0 GFADRO CCCN(C(=O)c1cc(Br)c(Br)[nH]1)[C@@H]1CC[NH2+]C1 ZINC000911770019 664256342 /nfs/dbraw/zinc/25/63/42/664256342.db2.gz YLIHGKXSSIULJF-MRVPVSSYSA-N 1 0 379.096 2.754 20 0 GFADRO C[C@@H]1CCCN(C(=O)c2cc3ccc(Br)cc3c(=O)o2)[C@@H]1C[NH3+] ZINC000911821461 664257179 /nfs/dbraw/zinc/25/71/79/664257179.db2.gz GUWFYOFORDEWAL-QMTHXVAHSA-N 1 0 379.254 2.755 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)c2ccc(Cn3cc(Br)cn3)s2)C1 ZINC000911818684 664257260 /nfs/dbraw/zinc/25/72/60/664257260.db2.gz ARJVUMPPYHOXAH-VXGBXAGGSA-N 1 0 397.342 2.955 20 0 GFADRO CN(C(=O)c1cc(Br)cnc1Br)C1CCC([NH3+])CC1 ZINC000911864026 664259569 /nfs/dbraw/zinc/25/95/69/664259569.db2.gz FPFZIOOZDQUSSI-UHFFFAOYSA-N 1 0 391.107 2.949 20 0 GFADRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C[C@H]1c2cc(Br)ccc2NC1=O ZINC000911869775 664259970 /nfs/dbraw/zinc/25/99/70/664259970.db2.gz CNEOYWAFJDGCCJ-KBPBESRZSA-N 1 0 382.302 2.707 20 0 GFADRO CCCC[C@@H](C[NH3+])NC(=O)c1cc(Br)cnc1Br ZINC000911882737 664260861 /nfs/dbraw/zinc/26/08/61/664260861.db2.gz VTSAJHHGBYFBBC-VIFPVBQESA-N 1 0 379.096 2.854 20 0 GFADRO [NH3+]CCN1CCC[C@@H](C(=O)Nc2nc(-c3ccccc3Cl)cs2)C1=O ZINC000911965022 664263871 /nfs/dbraw/zinc/26/38/71/664263871.db2.gz VOHZTYPBQGGTPX-LBPRGKRZSA-N 1 0 378.885 2.599 20 0 GFADRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)c2ccc(Cn3cc(Br)cn3)s2)C1 ZINC000912047146 664268305 /nfs/dbraw/zinc/26/83/05/664268305.db2.gz IXSOBGLIRLSTLO-BJHJDKERSA-N 1 0 397.342 2.825 20 0 GFADRO O=Cc1cc(Br)cc(C(=O)NC2CC[NH+](C3CCOCC3)CC2)c1 ZINC000912351894 664282963 /nfs/dbraw/zinc/28/29/63/664282963.db2.gz JQWSFLNQQYOYDV-UHFFFAOYSA-N 1 0 395.297 2.635 20 0 GFADRO CC(C)N(Cc1cccs1)C(=O)c1cc(Br)cn(CC[NH3+])c1=O ZINC000912425827 664285900 /nfs/dbraw/zinc/28/59/00/664285900.db2.gz LSUXRCWUGHNEDM-UHFFFAOYSA-N 1 0 398.326 2.682 20 0 GFADRO CSCC[C@H]([NH3+])CC(=O)Nc1ccc(=O)n(Cc2ccccc2Cl)c1 ZINC000912425988 664285933 /nfs/dbraw/zinc/28/59/33/664285933.db2.gz OZQXIRJYZKQXNH-AWEZNQCLSA-N 1 0 379.913 2.959 20 0 GFADRO C[NH+](C)[C@@H]1C[C@H](NC(=O)c2cc(Br)cn(C3CC3)c2=O)C12CCC2 ZINC000912603615 664294413 /nfs/dbraw/zinc/29/44/13/664294413.db2.gz VQYIIDXAYZPKSY-LSDHHAIUSA-N 1 0 394.313 2.548 20 0 GFADRO CCc1cc(C(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)ccc1Br ZINC000912714914 664299165 /nfs/dbraw/zinc/29/91/65/664299165.db2.gz JCJYWDGNJPQEPE-INIZCTEOSA-N 1 0 381.314 2.683 20 0 GFADRO O=C(c1cc(Br)cnc1OCC1CC1)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000912906237 664309501 /nfs/dbraw/zinc/30/95/01/664309501.db2.gz BPPLOILXIQMNQM-CQSZACIVSA-N 1 0 380.286 2.553 20 0 GFADRO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000912915762 664309673 /nfs/dbraw/zinc/30/96/73/664309673.db2.gz QWSDFIDEAOHKNW-CYBMUJFWSA-N 1 0 391.265 2.784 20 0 GFADRO O=C([C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)N1CC[C@H]([NH+]2CCC2)C1 ZINC000912920573 664310258 /nfs/dbraw/zinc/31/02/58/664310258.db2.gz YZNSVICGSMVTJA-UONOGXRCSA-N 1 0 382.291 2.653 20 0 GFADRO O=C(CNC(=O)c1sc2ccccc2c1Cl)N1CC[C@H]([NH+]2CCC2)C1 ZINC000912925449 664310644 /nfs/dbraw/zinc/31/06/44/664310644.db2.gz KGNMRWISFIZJKA-LBPRGKRZSA-N 1 0 377.897 2.591 20 0 GFADRO CC[NH+](CC)CCSCC(=O)NCc1snc(OC)c1Br ZINC000912944523 664311380 /nfs/dbraw/zinc/31/13/80/664311380.db2.gz DIFSURZSHHVZOT-UHFFFAOYSA-N 1 0 396.376 2.605 20 0 GFADRO C[NH+](C)CCn1cc(C(=O)N2CC(Cc3cccc(Br)c3)C2)cn1 ZINC000913094543 664322906 /nfs/dbraw/zinc/32/29/06/664322906.db2.gz LHDXAZWKNAPWEI-UHFFFAOYSA-N 1 0 391.313 2.522 20 0 GFADRO C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(=O)[nH]c2ccc(Br)cc21 ZINC000913536933 664343091 /nfs/dbraw/zinc/34/30/91/664343091.db2.gz RGCVFDMOHDUQPP-TXEJJXNPSA-N 1 0 376.254 2.622 20 0 GFADRO COCC[C@H](Cc1cccc(Br)c1)C(=O)NC12CC[NH+](CC1)C2 ZINC000913630512 664346913 /nfs/dbraw/zinc/34/69/13/664346913.db2.gz BJTIPNCRQJXBJZ-OAHLLOKOSA-N 1 0 381.314 2.609 20 0 GFADRO C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N1CCC(O)(C[NH+](C)C)CC1 ZINC000913676308 664348823 /nfs/dbraw/zinc/34/88/23/664348823.db2.gz RWFKYWALCHZATK-LBPRGKRZSA-N 1 0 375.296 2.676 20 0 GFADRO C[NH+](C)CC1(O)CCN(C(=O)c2cc(Cl)cc(Br)c2F)CC1 ZINC000913677915 664349346 /nfs/dbraw/zinc/34/93/46/664349346.db2.gz KGAXAUGKJYIIGJ-UHFFFAOYSA-N 1 0 393.684 2.770 20 0 GFADRO C[NH+](C)CC1(O)CCN(C(=O)c2csc(-c3cccc(Cl)c3)n2)CC1 ZINC000913681598 664349633 /nfs/dbraw/zinc/34/96/33/664349633.db2.gz PRVWQCXGUAENME-UHFFFAOYSA-N 1 0 379.913 2.992 20 0 GFADRO O=C(CCc1ccc(Br)cc1)N1CC[NH+](CCCCCO)CC1 ZINC000913692085 664350642 /nfs/dbraw/zinc/35/06/42/664350642.db2.gz WAOWDARIENVYOU-UHFFFAOYSA-N 1 0 383.330 2.689 20 0 GFADRO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)c1cnnn1-c1cc(Cl)ccc1Cl ZINC000913816066 664359900 /nfs/dbraw/zinc/35/99/00/664359900.db2.gz YPUGXYNLWMBCFO-ZIAGYGMSSA-N 1 0 380.279 2.883 20 0 GFADRO O=S(=O)(Cc1ccsc1Br)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000913933550 664366668 /nfs/dbraw/zinc/36/66/68/664366668.db2.gz KWNDJFCXEKREBR-NWDGAFQWSA-N 1 0 379.345 2.557 20 0 GFADRO COc1cc(Br)cc(CNC(=O)NC2CC[NH+](C3CC3)CC2)c1 ZINC000913981453 664370273 /nfs/dbraw/zinc/37/02/73/664370273.db2.gz MHYHPDZJZSTZPD-UHFFFAOYSA-N 1 0 382.302 2.884 20 0 GFADRO CC[N@@H+]1CCC[C@@H](CNS(=O)(=O)Cc2ccc(F)cc2Br)C1 ZINC000914026418 664372667 /nfs/dbraw/zinc/37/26/67/664372667.db2.gz XZLMZZGIGPJSGY-LBPRGKRZSA-N 1 0 393.322 2.740 20 0 GFADRO C[NH+]1CCC(CC(=O)N[C@@]2(c3ccc(Br)cc3)C[C@@H](O)C2)CC1 ZINC000914172928 664381886 /nfs/dbraw/zinc/38/18/86/664381886.db2.gz XXMSKEZROXENLL-MAEOIBBWSA-N 1 0 381.314 2.647 20 0 GFADRO C[C@H]1C[C@@H](C(=O)N[C@@]2(c3ccc(Br)cc3)C[C@@H](O)C2)CC[N@@H+]1C ZINC000914173586 664382073 /nfs/dbraw/zinc/38/20/73/664382073.db2.gz SMGQRARVTVFUOJ-RASHJEQFSA-N 1 0 381.314 2.646 20 0 GFADRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2S(=O)(=O)c2cnc(-c3ccccc3)s2)C1 ZINC000914268200 664392793 /nfs/dbraw/zinc/39/27/93/664392793.db2.gz URNJFAFVMGLILQ-HZPDHXFCSA-N 1 0 377.535 2.915 20 0 GFADRO CC(C)(C)[NH+]1CCC(NC(=O)NCC2(n3cc(Br)cn3)CC2)CC1 ZINC000914275373 664393942 /nfs/dbraw/zinc/39/39/42/664393942.db2.gz OBELPJXWVRJTKL-UHFFFAOYSA-N 1 0 398.349 2.697 20 0 GFADRO Cc1csc(C)c1S(=O)(=O)N1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000915052850 664419757 /nfs/dbraw/zinc/41/97/57/664419757.db2.gz CYYVPNAGKDDPCK-QGZVFWFLSA-N 1 0 379.551 2.903 20 0 GFADRO CC[NH+](CC)CCOC(=O)c1nnn(-c2cccc(Br)c2)c1C ZINC000917527618 664485496 /nfs/dbraw/zinc/48/54/96/664485496.db2.gz AMOTVVZKIBYNOH-UHFFFAOYSA-N 1 0 381.274 2.837 20 0 GFADRO CO[C@H]1CC[N@@H+]([C@@H]2CCC[C@@H]2N(C)S(=O)(=O)c2cscc2C(F)F)C1 ZINC000918242754 664497377 /nfs/dbraw/zinc/49/73/77/664497377.db2.gz DOZWJOFEBNKONU-FPMFFAJLSA-N 1 0 394.509 2.948 20 0 GFADRO CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc3nc(SC)sc3c2)C1 ZINC000918476335 664499443 /nfs/dbraw/zinc/49/94/43/664499443.db2.gz DLYUWOXDTFQYIA-LBPRGKRZSA-N 1 0 378.523 2.557 20 0 GFADRO Cc1csc(C[C@H]2CCCN(S(=O)(=O)C[C@@]34CC[N@H+](C3)CCC4)C2)n1 ZINC000919926901 664519566 /nfs/dbraw/zinc/51/95/66/664519566.db2.gz YHMGCYGFZFSAAV-AEFFLSMTSA-N 1 0 383.583 2.522 20 0 GFADRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)NC2(c3ncc(Br)cn3)CCC2)C1 ZINC000921330066 664541802 /nfs/dbraw/zinc/54/18/02/664541802.db2.gz BNNWGLAOOMKJMT-KGLIPLIRSA-N 1 0 396.333 2.790 20 0 GFADRO C[C@@H](NC(=O)NC[C@H]1CC[N@@H+]1C)c1nc(-c2ccc(Br)cc2)no1 ZINC000921464586 664549700 /nfs/dbraw/zinc/54/97/00/664549700.db2.gz MXUGSWFQGCQRFJ-ZWNOBZJWSA-N 1 0 394.273 2.563 20 0 GFADRO C[NH+](C)Cc1ccc(S(=O)(=O)NC[C@@H]2CCC[C@@H](C(F)(F)F)O2)cc1 ZINC000921586448 664555950 /nfs/dbraw/zinc/55/59/50/664555950.db2.gz LVJQPJOETBKTAP-ZFWWWQNUSA-N 1 0 380.432 2.527 20 0 GFADRO Cn1nc2c(c1C[NH2+]CCCNC(=O)c1ccc(Br)cc1)CCC2 ZINC000921652195 664559317 /nfs/dbraw/zinc/55/93/17/664559317.db2.gz GMBZETKYNUFASR-UHFFFAOYSA-N 1 0 391.313 2.581 20 0 GFADRO Clc1cccc([C@H](C[NH2+]Cc2nc(Br)c[nH]2)N2CCOCC2)c1 ZINC000921693663 664561165 /nfs/dbraw/zinc/56/11/65/664561165.db2.gz NIUAIWLQLLQMNK-AWEZNQCLSA-N 1 0 399.720 2.989 20 0 GFADRO CC(C)(C)c1coc(C[NH2+]CC2CCN(S(=O)(=O)C(F)(F)F)CC2)n1 ZINC000921729396 664564971 /nfs/dbraw/zinc/56/49/71/664564971.db2.gz LGACQKBNIUUGFW-UHFFFAOYSA-N 1 0 383.436 2.623 20 0 GFADRO Cc1nn(C)c(C[NH2+]C[C@H](O)COc2ccccc2Br)c1Cl ZINC000921855442 664572854 /nfs/dbraw/zinc/57/28/54/664572854.db2.gz FUPRYYKSQBCWSP-NSHDSACASA-N 1 0 388.693 2.674 20 0 GFADRO Cn1nc2c(c1C[NH2+][C@H]1CCN(c3cccc(Br)c3)C1)COCC2 ZINC000922065904 664583543 /nfs/dbraw/zinc/58/35/43/664583543.db2.gz FWDIFXDMEXEOOG-AWEZNQCLSA-N 1 0 391.313 2.624 20 0 GFADRO C[NH+](C)C1(CNC(=O)N2CCCC[C@H]2c2ncc(Br)cn2)CCC1 ZINC000922117518 664586665 /nfs/dbraw/zinc/58/66/65/664586665.db2.gz MOGOCKLBHGQJCU-AWEZNQCLSA-N 1 0 396.333 2.960 20 0 GFADRO Cn1nc2c(c1C[NH2+][C@@](C)(CO)Cc1ccc(Br)cc1)CCC2 ZINC000922303136 664594151 /nfs/dbraw/zinc/59/41/51/664594151.db2.gz IAIXAUQGRKSMQQ-GOSISDBHSA-N 1 0 378.314 2.755 20 0 GFADRO Cn1nccc1[C@@H]1[C@@H]([NH2+]Cc2csc(Br)c2)CCC(=O)N1C ZINC000922403750 664599832 /nfs/dbraw/zinc/59/98/32/664599832.db2.gz CNOPZYGUTCKAPV-NHYWBVRUSA-N 1 0 383.315 2.696 20 0 GFADRO C[C@H](NC(=O)NCc1cnc(Br)cn1)[C@@H](c1ccccc1)[NH+](C)C ZINC000922413822 664600571 /nfs/dbraw/zinc/60/05/71/664600571.db2.gz JVAUBAFYFKJQFO-LRDDRELGSA-N 1 0 392.301 2.730 20 0 GFADRO CC[C@H](C)[NH2+][C@@H](CNC(=O)NCc1cn(C)nc1Br)c1ccco1 ZINC000922423652 664601008 /nfs/dbraw/zinc/60/10/08/664601008.db2.gz HFKZMVFIFCICQZ-AAEUAGOBSA-N 1 0 398.305 2.704 20 0 GFADRO O=c1[nH]c(=O)n(CC(F)(F)F)cc1C[NH2+]Cc1cscc1C(F)(F)F ZINC000922495735 664604153 /nfs/dbraw/zinc/60/41/53/664604153.db2.gz VEIUFCZEGBPREE-UHFFFAOYSA-N 1 0 387.305 2.881 20 0 GFADRO COc1ccc(C[NH2+][C@H]2CCCN3CCSC[C@@H]23)c(Br)c1O ZINC000922523334 664605545 /nfs/dbraw/zinc/60/55/45/664605545.db2.gz JWHRCYBTIVOMGP-STQMWFEESA-N 1 0 387.343 2.833 20 0 GFADRO CSC1(CNC(=O)NCC[C@H]2CC[C@H](C(F)(F)F)O2)CC[NH+](C)CC1 ZINC000922529793 664605821 /nfs/dbraw/zinc/60/58/21/664605821.db2.gz KVGJPRBOLGOUJX-CHWSQXEVSA-N 1 0 383.480 2.613 20 0 GFADRO CC(C)(C)OC(=O)N[C@H](C[NH2+][C@H]1CCCN2CCSC[C@@H]12)CC(F)F ZINC000922527520 664605848 /nfs/dbraw/zinc/60/58/48/664605848.db2.gz WRTBTIPOWFICCT-IHRRRGAJSA-N 1 0 379.517 2.704 20 0 GFADRO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)NC1(c2ncc(Br)cn2)CCC1 ZINC000922533218 664606241 /nfs/dbraw/zinc/60/62/41/664606241.db2.gz OHGQSNMXZHEYLC-GFCCVEGCSA-N 1 0 384.322 2.646 20 0 GFADRO OC1(C2(C[NH2+]Cc3cc4c(cc3Br)OCO4)CC2)CCOCC1 ZINC000922597137 664607860 /nfs/dbraw/zinc/60/78/60/664607860.db2.gz KTPVFKBHBZXYDF-UHFFFAOYSA-N 1 0 384.270 2.589 20 0 GFADRO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)N(C)Cc1ncc(Br)cn1 ZINC000922661968 664610041 /nfs/dbraw/zinc/61/00/41/664610041.db2.gz FDXSXFHBBRKHIZ-HNNXBMFYSA-N 1 0 398.349 2.891 20 0 GFADRO CC(C)(C[NH2+]Cc1ccc(F)cc1I)CS(C)(=O)=O ZINC000922737262 664612764 /nfs/dbraw/zinc/61/27/64/664612764.db2.gz PXHREDQABGMSCY-UHFFFAOYSA-N 1 0 399.269 2.591 20 0 GFADRO Cn1nccc1[C@@H]1OCCC[C@H]1C[NH2+]CC1(n2cc(Br)cn2)CC1 ZINC000922801346 664614892 /nfs/dbraw/zinc/61/48/92/664614892.db2.gz DJVZFYXVVVVGBG-XJKSGUPXSA-N 1 0 394.317 2.626 20 0 GFADRO Cc1cc(CNC(=O)NC[C@@H]2CC[N@@H+]2C2CCOCC2)ccc1Br ZINC000922827055 664615748 /nfs/dbraw/zinc/61/57/48/664615748.db2.gz MYCOSMUVSDTGAI-INIZCTEOSA-N 1 0 396.329 2.810 20 0 GFADRO O=C(Cc1cccc(Br)c1)N1CCC([NH2+]C2CCOCC2)CC1 ZINC000922863243 664616802 /nfs/dbraw/zinc/61/68/02/664616802.db2.gz AQLHDVNVZSYEGN-UHFFFAOYSA-N 1 0 381.314 2.751 20 0 GFADRO Cn1nnc2c1C[C@@H]([NH2+]Cc1cccc(Br)c1OC(F)F)CC2 ZINC000922995383 664620600 /nfs/dbraw/zinc/62/06/00/664620600.db2.gz XKNUHQMGADVUBZ-JTQLQIEISA-N 1 0 387.228 2.826 20 0 GFADRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)N2CC(Cc3ccc(Br)cc3)C2)C1 ZINC000923120764 664622542 /nfs/dbraw/zinc/62/25/42/664622542.db2.gz XDZWYVQHJKWCEP-KDYLLFBJSA-N 1 0 380.330 2.973 20 0 GFADRO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)[C@]1(C)CC1(Br)Br ZINC000923260081 664626751 /nfs/dbraw/zinc/62/67/51/664626751.db2.gz OYNLLVRAVDUXIV-UMNHJUIQSA-N 1 0 380.124 2.578 20 0 GFADRO CC(C)(C)[C@@H](CN)[NH2+]C[C@H](O)COc1ccc(Cl)cc1Br ZINC000923371591 664629080 /nfs/dbraw/zinc/62/90/80/664629080.db2.gz ZFQJITYYNQOIPI-SMDDNHRTSA-N 1 0 379.726 2.805 20 0 GFADRO O=C(CN1CCC[C@@H]([NH2+]CCO)C1)Nc1cc(Cl)c(Cl)cc1Cl ZINC000923404618 664629951 /nfs/dbraw/zinc/62/99/51/664629951.db2.gz ZFVCEVPTRWRFNO-SNVBAGLBSA-N 1 0 380.703 2.632 20 0 GFADRO [NH3+]C[C@@H]1CN(C[C@@H](O)COc2c(Cl)cccc2Cl)C[C@@H]1C(F)(F)F ZINC000923426226 664630162 /nfs/dbraw/zinc/63/01/62/664630162.db2.gz OFAYXVQYQXEBAJ-MXWKQRLJSA-N 1 0 387.229 2.802 20 0 GFADRO C[C@@H]1C[NH2+][C@@H](C)[C@@H](C)N1Cc1csc(-c2ccc(S(C)(=O)=O)cc2)n1 ZINC000923437700 664630587 /nfs/dbraw/zinc/63/05/87/664630587.db2.gz VSAADUUZBNPOFQ-HZSPNIEDSA-N 1 0 379.551 2.784 20 0 GFADRO C[C@H]1CN(CC(=O)Nc2c(F)cc(F)cc2Br)CC[C@H]1C[NH3+] ZINC000923500496 664631469 /nfs/dbraw/zinc/63/14/69/664631469.db2.gz PDRNLTKJIYQRPJ-UWVGGRQHSA-N 1 0 376.245 2.583 20 0 GFADRO O=C(NCc1cnc(Br)cn1)NC[C@@H]1CC[N@@H+]1C1CCCCCC1 ZINC000923548181 664633807 /nfs/dbraw/zinc/63/38/07/664633807.db2.gz PAHRSGIYRMJUQN-HNNXBMFYSA-N 1 0 396.333 2.835 20 0 GFADRO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCCN2S(=O)(=O)c2cscc2C(F)F)C1 ZINC000923651945 664635140 /nfs/dbraw/zinc/63/51/40/664635140.db2.gz JHZSUMBBZBVZOP-KGYLQXTDSA-N 1 0 380.482 2.735 20 0 GFADRO CC(C)c1ccc(Cl)c(S(=O)(=O)N2CCC3(CO[C@@H](C[NH3+])C3)CC2)c1 ZINC000923686796 664635693 /nfs/dbraw/zinc/63/56/93/664635693.db2.gz GKGVTKOEHIHWIE-OAHLLOKOSA-N 1 0 386.945 2.982 20 0 GFADRO C[C@@H]1CN(S(=O)(=O)c2cccc(Cl)c2Br)CC[C@H]1C[NH3+] ZINC000923705212 664636612 /nfs/dbraw/zinc/63/66/12/664636612.db2.gz WITQQEJLJVGCBT-ZJUUUORDSA-N 1 0 381.723 2.708 20 0 GFADRO C[C@]1(CS(=O)(=O)N[C@H]2C[C@@](C[NH3+])(c3ccccc3)C2)CC1(Cl)Cl ZINC000923738326 664637270 /nfs/dbraw/zinc/63/72/70/664637270.db2.gz AOCQQZTXROXQSH-KFWWJZLASA-N 1 0 377.337 2.549 20 0 GFADRO Cc1ccc(S(=O)(=O)N2C[C@H](C[C@@H]3COCC[NH2+]3)c3ccccc32)s1 ZINC000923747840 664637762 /nfs/dbraw/zinc/63/77/62/664637762.db2.gz YJJFLZHHNCUIFS-LSDHHAIUSA-N 1 0 378.519 2.728 20 0 GFADRO C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)NCc1cc(C(F)(F)F)ccc1Br ZINC000923960570 664641756 /nfs/dbraw/zinc/64/17/56/664641756.db2.gz KPNSOIWGGDMCCJ-RISCZKNCSA-N 1 0 395.219 2.539 20 0 GFADRO Cc1sc(CN2C(=O)N[C@@H](C[NH+](C)C)C2=O)nc1-c1ccc(Cl)cc1 ZINC000924488034 664655911 /nfs/dbraw/zinc/65/59/11/664655911.db2.gz OAWDRPQBVXMYBX-ZDUSSCGKSA-N 1 0 378.885 2.754 20 0 GFADRO Cn1cc(CNC(=O)NC2CCC(C)([NH+]3CCCC3)CC2)c(Br)n1 ZINC000924564481 664658171 /nfs/dbraw/zinc/65/81/71/664658171.db2.gz ODCGSLSTLYIFGN-UHFFFAOYSA-N 1 0 398.349 2.779 20 0 GFADRO C[C@@H]([NH2+][C@H](C)C1CCN(S(C)(=O)=O)CC1)c1ccccc1OC(F)F ZINC000924599328 664658805 /nfs/dbraw/zinc/65/88/05/664658805.db2.gz GFHLZFFBBSAKHS-CHWSQXEVSA-N 1 0 376.469 2.999 20 0 GFADRO CCN(CC)[C@H](C[NH2+][C@H](C)C1CCN(S(C)(=O)=O)CC1)c1ccsc1 ZINC000924658298 664659230 /nfs/dbraw/zinc/65/92/30/664659230.db2.gz KPBNVFNQASQQCT-CRAIPNDOSA-N 1 0 387.615 2.781 20 0 GFADRO C[C@@H]([NH2+]CC1(c2ccc(Br)cc2)CCOCC1)c1cnn(C)n1 ZINC000924903007 664663898 /nfs/dbraw/zinc/66/38/98/664663898.db2.gz RNDDOHCPKKZNPE-CYBMUJFWSA-N 1 0 379.302 2.977 20 0 GFADRO CCN(CC)S(=O)(=O)c1ccc(CC[NH2+][C@H]2CCOC[C@@H]2C(C)C)s1 ZINC000924948393 664664331 /nfs/dbraw/zinc/66/43/31/664664331.db2.gz UTCNIUSWXJRTOF-SJORKVTESA-N 1 0 388.599 2.972 20 0 GFADRO CCN(CC)S(=O)(=O)c1ccc(CC[NH2+][C@@H](C)c2cc(OC)no2)s1 ZINC000924948067 664664340 /nfs/dbraw/zinc/66/43/40/664664340.db2.gz UKVPPNIMPSAFIA-LBPRGKRZSA-N 1 0 387.527 2.669 20 0 GFADRO COc1ccc(Br)c(C(=O)NCCC[NH2+][C@H](C)c2ncco2)c1 ZINC000925017329 664665362 /nfs/dbraw/zinc/66/53/62/664665362.db2.gz TXNOZYPUEPBWDF-LLVKDONJSA-N 1 0 382.258 2.916 20 0 GFADRO C[C@H]1COC[C@H]1[NH2+]CC(C)(C)S(=O)(=O)c1ccc(Br)cc1 ZINC000925104025 664666937 /nfs/dbraw/zinc/66/69/37/664666937.db2.gz VDUAAEBKPZIITQ-SMDDNHRTSA-N 1 0 376.316 2.626 20 0 GFADRO CN(Cc1nc(C(F)(F)F)cs1)C(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000925153160 664667429 /nfs/dbraw/zinc/66/74/29/664667429.db2.gz KFCRCVDKSHNSSV-MNOVXSKESA-N 1 0 394.488 2.883 20 0 GFADRO CN1C(=O)N(CC[N@@H+]2CCCOCC2)C(=O)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000925338278 664670730 /nfs/dbraw/zinc/67/07/30/664670730.db2.gz BRIMVUKAIIEFIE-OAHLLOKOSA-N 1 0 386.279 2.651 20 0 GFADRO COc1cc(C[NH2+][C@@H]2CCOC23CCOCC3)cc(Br)c1OC ZINC000925361025 664671065 /nfs/dbraw/zinc/67/10/65/664671065.db2.gz CRDOMRLRCGTHLO-OAHLLOKOSA-N 1 0 386.286 2.894 20 0 GFADRO CC(C)(C[NH2+][C@H]1C(=O)NCC12CCOCC2)c1ccccc1Br ZINC000925588294 664673454 /nfs/dbraw/zinc/67/34/54/664673454.db2.gz PLJPRRZBAHESLG-HNNXBMFYSA-N 1 0 381.314 2.612 20 0 GFADRO [NH3+][C@@H]1C[C@H](NCc2c(Br)cncc2Br)C12CCC2 ZINC000925679595 664673970 /nfs/dbraw/zinc/67/39/70/664673970.db2.gz KOFRTVAWYVPMQW-NEPJUHHUSA-N 1 0 375.108 2.966 20 0 GFADRO O=S1(=O)CCNC[C@@H]1CC[NH2+][C@H](c1ccc(Cl)c(Cl)c1)C1CC1 ZINC000925799775 664675032 /nfs/dbraw/zinc/67/50/32/664675032.db2.gz SZFLISWOCIXFKS-BBRMVZONSA-N 1 0 377.337 2.811 20 0 GFADRO C[C@H](NC[C@]12CCC[C@H]1[NH2+]CC2)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000925841533 664675721 /nfs/dbraw/zinc/67/57/21/664675721.db2.gz PTYMWHZJNAUXKV-AMKSKSKJSA-N 1 0 392.352 2.824 20 0 GFADRO O=C(Nc1ccncc1Br)N1CCC([C@H]2CCC[NH2+]CC2)CC1 ZINC000926082776 664681299 /nfs/dbraw/zinc/68/12/99/664681299.db2.gz IBEPEFSLBSPQKC-ZDUSSCGKSA-N 1 0 381.318 2.900 20 0 GFADRO [NH3+][C@@H]1CN(C(=O)N[C@H](c2nccs2)C(F)(F)F)CC[C@@H]1C(F)(F)F ZINC000926127607 664682337 /nfs/dbraw/zinc/68/23/37/664682337.db2.gz WYZFLBZOCACSLT-XLPZGREQSA-N 1 0 376.326 2.668 20 0 GFADRO [NH3+]C1CCN(CCNC(=O)Nc2cc(Cl)ccc2OC(F)(F)F)CC1 ZINC000926127679 664682349 /nfs/dbraw/zinc/68/23/49/664682349.db2.gz YPDKXGBJVPZPHK-UHFFFAOYSA-N 1 0 380.798 2.783 20 0 GFADRO [NH3+][C@@H]1CN(C(=O)Nc2ncc(C3CCOCC3)s2)CC[C@H]1C(F)(F)F ZINC000926134302 664682510 /nfs/dbraw/zinc/68/25/10/664682510.db2.gz XDZNWDGCKBJOGH-GHMZBOCLSA-N 1 0 378.420 2.781 20 0 GFADRO Cc1cc(C(=O)N[C@@H]2C[C@]3(C[N@@H+](C)[C@@H]3C(C)C)C[C@H]2O)ccc1Br ZINC000926164417 664683422 /nfs/dbraw/zinc/68/34/22/664683422.db2.gz LYGUDHARZHPLMF-YWTNHNAXSA-N 1 0 395.341 2.967 20 0 GFADRO Cc1ccc([C@H](NC[C@]2(O)CC[N@@H+](C)C2)c2cncc(Br)c2)cc1 ZINC000926174610 664683969 /nfs/dbraw/zinc/68/39/69/664683969.db2.gz SOYHEQKMZQVDRI-RBUKOAKNSA-N 1 0 390.325 2.898 20 0 GFADRO CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)c1cc(F)cc(Br)c1)C2 ZINC000926179544 664684084 /nfs/dbraw/zinc/68/40/84/664684084.db2.gz FWELNGAGJXLUCD-KONPQCLYSA-N 1 0 399.304 2.798 20 0 GFADRO CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)c1cccc(Br)c1)C2 ZINC000926191707 664684507 /nfs/dbraw/zinc/68/45/07/664684507.db2.gz CSLVJPFPDRHBLB-KONPQCLYSA-N 1 0 381.314 2.659 20 0 GFADRO CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NC(=O)c1cc(Br)ccc1F)C2 ZINC000926191295 664684532 /nfs/dbraw/zinc/68/45/32/664684532.db2.gz XJIJUQJXLRZKSC-YFHUEUNASA-N 1 0 399.304 2.798 20 0 GFADRO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NC(=O)CC[C@H]3CC3(Cl)Cl)C2)[C@H]1C(C)C ZINC000926243111 664685146 /nfs/dbraw/zinc/68/51/46/664685146.db2.gz JLEDWVYHDICHJL-SZVRAQGESA-N 1 0 377.356 2.946 20 0 GFADRO CCn1nc(C)c([C@H](C)[NH2+]C[C@@H](CO)Cc2ccc(Br)cc2)n1 ZINC000926283170 664686231 /nfs/dbraw/zinc/68/62/31/664686231.db2.gz GJHDFZNYYJERAS-WFASDCNBSA-N 1 0 381.318 2.871 20 0 GFADRO C[C@H]([NH2+]CC[C@@]1(C)CC1(Cl)Cl)c1ccc(S(=O)(=O)CC(N)=O)cc1 ZINC000926532114 664691617 /nfs/dbraw/zinc/69/16/17/664691617.db2.gz QUTNUCRXCIAANX-NHYWBVRUSA-N 1 0 393.336 2.570 20 0 GFADRO COc1ccc(Br)cc1C[C@@H](CO)C[NH2+][C@@H](C)c1ccnnc1 ZINC000926541855 664691882 /nfs/dbraw/zinc/69/18/82/664691882.db2.gz KMLGWWAWIVQODR-QWHCGFSZSA-N 1 0 380.286 2.750 20 0 GFADRO COc1cc([C@H](C)[NH2+]C[C@@H](CO)Cc2cc(Br)ccc2OC)on1 ZINC000926542574 664691987 /nfs/dbraw/zinc/69/19/87/664691987.db2.gz NWHWRGJQEKACGE-RYUDHWBXSA-N 1 0 399.285 2.956 20 0 GFADRO COc1cc([C@H](C)[NH2+]C[C@H](CO)Cc2cc(Br)ccc2OC)on1 ZINC000926542572 664692049 /nfs/dbraw/zinc/69/20/49/664692049.db2.gz NWHWRGJQEKACGE-NWDGAFQWSA-N 1 0 399.285 2.956 20 0 GFADRO Cc1nc([C@H]2C[C@H](O)[C@H](C[NH2+][C@@H](C)c3nc(Br)ccc3F)C2)n[nH]1 ZINC000926734456 664695898 /nfs/dbraw/zinc/69/58/98/664695898.db2.gz PKUSKWIWLYZALY-UKKREREHSA-N 1 0 398.280 2.615 20 0 GFADRO CCC(F)(F)C(C)(C)C[NH2+][C@H](C)c1ccc(S(=O)(=O)CC(N)=O)cc1 ZINC000926760709 664696375 /nfs/dbraw/zinc/69/63/75/664696375.db2.gz WZWQFOYXHQPGDT-GFCCVEGCSA-N 1 0 376.469 2.668 20 0 GFADRO O[C@@H]1CCN(CC[NH2+][C@H](c2ccc(Br)cc2)c2cccnc2)C1 ZINC000926768627 664696378 /nfs/dbraw/zinc/69/63/78/664696378.db2.gz UJEITZQACLWROE-QZTJIDSGSA-N 1 0 376.298 2.590 20 0 GFADRO C[C@H]([NH2+]Cc1ccccc1CC(F)(F)F)C1CCN(S(C)(=O)=O)CC1 ZINC000926776028 664696574 /nfs/dbraw/zinc/69/65/74/664696574.db2.gz FINRMEKPUHUBFX-ZDUSSCGKSA-N 1 0 378.460 2.941 20 0 GFADRO CCON1CCC([NH2+][C@H]2CCc3cc(Br)ccc3NC2=O)CC1 ZINC000926862998 664698008 /nfs/dbraw/zinc/69/80/08/664698008.db2.gz ZCVOEHPLQFUCTQ-INIZCTEOSA-N 1 0 382.302 2.708 20 0 GFADRO O=C1NCCN1CC[NH2+][C@H](Cc1ccccc1Br)c1ccoc1 ZINC000926874474 664698283 /nfs/dbraw/zinc/69/82/83/664698283.db2.gz SQGKIROTYZSVKU-MRXNPFEDSA-N 1 0 378.270 2.941 20 0 GFADRO C[C@@H]([NH2+][C@@H]1CCC(=O)N(C)[C@H]1c1ccnn1C)c1cccc(Br)n1 ZINC000926879078 664698533 /nfs/dbraw/zinc/69/85/33/664698533.db2.gz IEBBUYQAGWJJKN-CJBNDPTMSA-N 1 0 392.301 2.590 20 0 GFADRO O=S1(=O)CC[C@@H]([NH2+]C[C@@H]2CCCN2CC(F)(F)F)c2cc(F)ccc21 ZINC000926923627 664699130 /nfs/dbraw/zinc/69/91/30/664699130.db2.gz XHCBNEHPKQAGEM-GXTWGEPZSA-N 1 0 380.407 2.661 20 0 GFADRO C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+]Cc1cc(C(F)(F)F)nn1C ZINC000926930919 664699254 /nfs/dbraw/zinc/69/92/54/664699254.db2.gz HJHGTHHBJIWXFR-SECBINFHSA-N 1 0 375.782 2.994 20 0 GFADRO CCC[N@H+](C)C[C@H]1CCN(C(=O)NCC2(n3cc(Br)cn3)CC2)C1 ZINC000927104861 664704002 /nfs/dbraw/zinc/70/40/02/664704002.db2.gz PBUSCCSWAIYIJF-CQSZACIVSA-N 1 0 398.349 2.508 20 0 GFADRO C[C@@H]([NH2+][C@@H](C)c1cc(Cl)cc2c1OCC2)C1CCN(S(C)(=O)=O)CC1 ZINC000927142409 664705040 /nfs/dbraw/zinc/70/50/40/664705040.db2.gz UVVHMKMXNDXZJV-OLZOCXBDSA-N 1 0 386.945 2.986 20 0 GFADRO Cn1nnc2c1C[C@H]([NH2+][C@@H](c1cccc(Br)c1)[C@@H]1CCOC1)CC2 ZINC000927143699 664705063 /nfs/dbraw/zinc/70/50/63/664705063.db2.gz PDJIARSIMFWGRU-SIIHOXLZSA-N 1 0 391.313 2.802 20 0 GFADRO Cn1nnc2c1C[C@H]([NH2+][C@H](c1ccc(Br)cc1)[C@H]1CCCO1)CC2 ZINC000927147437 664705198 /nfs/dbraw/zinc/70/51/98/664705198.db2.gz SBVKEIYXFPWASA-ZTFGCOKTSA-N 1 0 391.313 2.945 20 0 GFADRO Brc1cnc(C2([NH2+]C3CCN(c4cnccn4)CC3)CCC2)nc1 ZINC000927145412 664705240 /nfs/dbraw/zinc/70/52/40/664705240.db2.gz QZBCZIJWGAWCJN-UHFFFAOYSA-N 1 0 389.301 2.667 20 0 GFADRO Cn1cc(CNC(=O)c2cccc([C@H]3CCC[N@H+](C)C3)c2)c(Br)n1 ZINC000927622338 664712047 /nfs/dbraw/zinc/71/20/47/664712047.db2.gz RITCZOJSRWPAPD-HNNXBMFYSA-N 1 0 391.313 2.922 20 0 GFADRO O=C(NC[C@@H]1CC[N@@H+]1C1CCOCC1)N1CCc2ccc(Br)cc21 ZINC000927631124 664712616 /nfs/dbraw/zinc/71/26/16/664712616.db2.gz RAMXTAVYDFTDDJ-INIZCTEOSA-N 1 0 394.313 2.775 20 0 GFADRO C[NH+](C)CCN(Cc1cccs1)C(=O)NCc1nc2c(s1)COCC2 ZINC000927690833 664714056 /nfs/dbraw/zinc/71/40/56/664714056.db2.gz DNBLIDLRXYYEIU-UHFFFAOYSA-N 1 0 380.539 2.551 20 0 GFADRO O=C(c1cnn2cccc(Br)c12)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000927774195 664715704 /nfs/dbraw/zinc/71/57/04/664715704.db2.gz KLLHOBUKYBPQEN-AWEZNQCLSA-N 1 0 391.313 2.949 20 0 GFADRO CSc1cc(Cl)ccc1NC(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000927840866 664716448 /nfs/dbraw/zinc/71/64/48/664716448.db2.gz DXWONYVUCRUTQP-VHSXEESVSA-N 1 0 395.834 2.739 20 0 GFADRO [NH3+][C@H]1CN(C(=O)C(=O)Nc2cc(Cl)ccc2Cl)CC[C@H]1C(F)(F)F ZINC000927849153 664716820 /nfs/dbraw/zinc/71/68/20/664716820.db2.gz YFVGFABMAJDVEP-SCZZXKLOSA-N 1 0 384.185 2.670 20 0 GFADRO CCOc1c(Cl)cc(NC(=O)C(=O)N(CC[NH2+]C)C(C)C)cc1Cl ZINC000927865042 664716935 /nfs/dbraw/zinc/71/69/35/664716935.db2.gz MNDWEDZVXXNBDQ-UHFFFAOYSA-N 1 0 376.284 2.787 20 0 GFADRO COc1ccc(CC(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@H]23)c(Cl)c1OC ZINC000928079544 664721891 /nfs/dbraw/zinc/72/18/91/664721891.db2.gz JAUYGTLHZWZZSH-ZIAGYGMSSA-N 1 0 384.929 2.596 20 0 GFADRO Cc1oc(-c2ccsc2)nc1CC(=O)N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000928089951 664722557 /nfs/dbraw/zinc/72/25/57/664722557.db2.gz GRDNDEMKVNNMNR-GOEBONIOSA-N 1 0 377.535 2.950 20 0 GFADRO O=C([C@@H]1CC[C@H]2CCCC[N@@H+]21)N1CCC[C@H]1c1ncc(Br)cn1 ZINC000928358766 664730088 /nfs/dbraw/zinc/73/00/88/664730088.db2.gz UKKFEKLJPCWZHA-ILXRZTDVSA-N 1 0 379.302 2.920 20 0 GFADRO C[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000928570824 664735418 /nfs/dbraw/zinc/73/54/18/664735418.db2.gz WNKJUSDXPQPAQL-ZIAGYGMSSA-N 1 0 384.307 2.666 20 0 GFADRO C[NH+](C)CC[C@H](NC(=O)[C@@H](O)c1cccc(Br)c1)c1cccnc1 ZINC000928828612 664740519 /nfs/dbraw/zinc/74/05/19/664740519.db2.gz SCVPYIMJXINNHG-IRXDYDNUSA-N 1 0 392.297 2.687 20 0 GFADRO Cc1ccc(C(=O)N[C@@H](CC[NH+](C)C)c2cccnc2)c(Br)n1 ZINC000928838430 664740649 /nfs/dbraw/zinc/74/06/49/664740649.db2.gz ZVPJERHTLZCROA-HNNXBMFYSA-N 1 0 377.286 2.970 20 0 GFADRO C[NH+](C)CC[C@@H](NC(=O)Cc1ccc(Br)cc1O)c1cccnc1 ZINC000928833588 664740650 /nfs/dbraw/zinc/74/06/50/664740650.db2.gz RJSZGVSDCWAASM-MRXNPFEDSA-N 1 0 392.297 2.901 20 0 GFADRO CN(C(=O)[C@H]1CC[N@H+](C)C[C@H]1c1cnn(C)c1)c1ccc(Br)cc1 ZINC000928918701 664741643 /nfs/dbraw/zinc/74/16/43/664741643.db2.gz UYNAVRQTGNEUBO-IRXDYDNUSA-N 1 0 391.313 2.881 20 0 GFADRO Cc1ccc(C[N@H+](CCc2ccccc2)CC2CN(S(C)(=O)=O)C2)s1 ZINC000929092320 664746223 /nfs/dbraw/zinc/74/62/23/664746223.db2.gz SEUIMIQKPKJZCQ-UHFFFAOYSA-N 1 0 378.563 2.993 20 0 GFADRO CN(C(=O)c1cc2ccc(Br)cc2c(=O)o1)C1CC[NH+](C)CC1 ZINC000929120463 664746749 /nfs/dbraw/zinc/74/67/49/664746749.db2.gz BOCKRSMNVLRWSO-UHFFFAOYSA-N 1 0 379.254 2.722 20 0 GFADRO O=S(=O)(NC1CC[NH+](C[C@@H]2CCCC3(CCC3)O2)CC1)c1cccs1 ZINC000929154180 664747177 /nfs/dbraw/zinc/74/71/77/664747177.db2.gz IIWFJKAGUNQPPK-INIZCTEOSA-N 1 0 384.567 2.983 20 0 GFADRO O=C(NCC(F)(F)F)C1CC[NH+](C[C@@H]2CCC[C@H](C(F)(F)F)O2)CC1 ZINC000929166935 664747446 /nfs/dbraw/zinc/74/74/46/664747446.db2.gz XDGRFEMHPDSERE-NWDGAFQWSA-N 1 0 376.341 2.877 20 0 GFADRO CCC[N@@H+](Cc1ccccc1Br)CC1CN(S(C)(=O)=O)C1 ZINC000929387183 664751609 /nfs/dbraw/zinc/75/16/09/664751609.db2.gz ZYOYMKZKXHXTRO-UHFFFAOYSA-N 1 0 375.332 2.553 20 0 GFADRO O=C(C[C@@H]1C(=O)Nc2ccc(Br)cc21)NCCC[NH+]1CCCCC1 ZINC000929421618 664752021 /nfs/dbraw/zinc/75/20/21/664752021.db2.gz XBPSVFVGTKZCSV-HNNXBMFYSA-N 1 0 394.313 2.867 20 0 GFADRO O=C(c1ncc(Br)cn1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000929583422 664754554 /nfs/dbraw/zinc/75/45/54/664754554.db2.gz AVUXUWWJOZHOKR-UHFFFAOYSA-N 1 0 375.270 2.587 20 0 GFADRO CC(C)(C)NS(=O)(=O)C1([C@@H](O)C[NH2+][C@H](c2cccs2)C2CC2)CCC1 ZINC000930187015 664764247 /nfs/dbraw/zinc/76/42/47/664764247.db2.gz AIBPLVPXQZSBHH-HOTGVXAUSA-N 1 0 386.583 2.790 20 0 GFADRO Cc1c(Br)ccc(F)c1C(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000930204360 664764409 /nfs/dbraw/zinc/76/44/09/664764409.db2.gz LOXRKHCMQLUPCC-UHFFFAOYSA-N 1 0 386.309 2.654 20 0 GFADRO O[C@H](C[NH2+][C@@H](c1ccc(Br)cc1)C1CCC1)C[C@]1(O)CCOC1 ZINC000930209925 664764578 /nfs/dbraw/zinc/76/45/78/664764578.db2.gz DMMPMUSMFLTCHL-RCCFBDPRSA-N 1 0 384.314 2.782 20 0 GFADRO CCO[C@@H](CNC(=O)Nc1cc(F)c(Br)cc1F)C[NH+](C)C ZINC000930531789 664772408 /nfs/dbraw/zinc/77/24/08/664772408.db2.gz BLYSOTSFBXLERR-VIFPVBQESA-N 1 0 380.233 2.816 20 0 GFADRO COc1cc(Br)cc(NC(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)c1 ZINC000930604500 664774102 /nfs/dbraw/zinc/77/41/02/664774102.db2.gz GVESRHHQGHNOOM-HZPDHXFCSA-N 1 0 398.301 2.521 20 0 GFADRO COCC[N@@H+]1CCCN(C(=O)c2cc(Br)cnc2C2CC2)CC1 ZINC000930683052 664776007 /nfs/dbraw/zinc/77/60/07/664776007.db2.gz DUVQLKUPZLUZSY-UHFFFAOYSA-N 1 0 382.302 2.516 20 0 GFADRO C[C@H]1[C@@H]([NH+](C)C)CCN1Cc1noc(Cc2ccc(Br)cc2)n1 ZINC000931041936 664783756 /nfs/dbraw/zinc/78/37/56/664783756.db2.gz JCTTXGSYULJJRD-WFASDCNBSA-N 1 0 379.302 2.947 20 0 GFADRO COC(=O)c1cc(Br)c(C[N@@H+]2CC[C@H]3COC[C@H]3C2)cc1OC ZINC000931058938 664784250 /nfs/dbraw/zinc/78/42/50/664784250.db2.gz GNWSYTUZZISVEK-WCQYABFASA-N 1 0 384.270 2.713 20 0 GFADRO COC(=O)c1ccc(Br)c(C[N@@H+]2CC[C@H](CN3CCCC3=O)C2)c1 ZINC000931063536 664784418 /nfs/dbraw/zinc/78/44/18/664784418.db2.gz XWLKGHLACCVTBE-ZDUSSCGKSA-N 1 0 395.297 2.680 20 0 GFADRO Cc1cc(C(=O)N2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)oc1Br ZINC000931300545 664790978 /nfs/dbraw/zinc/79/09/78/664790978.db2.gz ADURVYYYKXDQMS-GASCZTMLSA-N 1 0 398.345 2.981 20 0 GFADRO CNC(=O)c1cccc(NC(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)c1Br ZINC000931406088 664794065 /nfs/dbraw/zinc/79/40/65/664794065.db2.gz MVMAWEIPZREAAP-NSHDSACASA-N 1 0 397.317 2.803 20 0 GFADRO C[NH+](C)CC1(O)CCN(Cc2ncc(-c3cccc(Br)c3)o2)CC1 ZINC000931485944 664796221 /nfs/dbraw/zinc/79/62/21/664796221.db2.gz UDAUBLFNRBJXON-UHFFFAOYSA-N 1 0 394.313 2.993 20 0 GFADRO Nc1cc[nH+]c2c1CN(CCC(=O)Nc1ccc(Br)cc1)CC2 ZINC000931511452 664796936 /nfs/dbraw/zinc/79/69/36/664796936.db2.gz MRRZBEZACTYYOQ-UHFFFAOYSA-N 1 0 375.270 2.813 20 0 GFADRO O=C(NCC[NH+]1CCC(O)CC1)Nc1ccc(OC(F)(F)F)c(Cl)c1 ZINC000931810441 664805580 /nfs/dbraw/zinc/80/55/80/664805580.db2.gz KEWHDJPHYZJBIQ-UHFFFAOYSA-N 1 0 381.782 2.817 20 0 GFADRO C[NH+](C)C[C@H]1CCCCN1C(=O)c1cc(Br)c2nccnc2c1 ZINC000931906041 664807116 /nfs/dbraw/zinc/80/71/16/664807116.db2.gz NXIYLOJBXOQJBW-CYBMUJFWSA-N 1 0 377.286 2.949 20 0 GFADRO C[NH+](C)C[C@@H]1CCCCN1C(=O)C[C@@H]1C(=O)Nc2c1cccc2Br ZINC000931906295 664807148 /nfs/dbraw/zinc/80/71/48/664807148.db2.gz RYQXFYJFGZLVRR-JSGCOSHPSA-N 1 0 394.313 2.818 20 0 GFADRO Cc1nc2sccn2c(=O)c1CC[N@@H+]1CC[C@@]2(CC(F)(F)C2(F)F)C1 ZINC000931913224 664807222 /nfs/dbraw/zinc/80/72/22/664807222.db2.gz LBBMURPNGLYIAK-CQSZACIVSA-N 1 0 375.391 2.973 20 0 GFADRO NC(=O)c1ccsc1NC(=O)CC[N@@H+]1CC[C@@]2(CC(F)(F)C2(F)F)C1 ZINC000931913064 664807250 /nfs/dbraw/zinc/80/72/50/664807250.db2.gz GBLQWTYTLSVLLB-CYBMUJFWSA-N 1 0 379.379 2.542 20 0 GFADRO O=C(NC[C@@H]1CC[N@@H+]1C1CCOCC1)Nc1cccc(Br)c1F ZINC000931949453 664807780 /nfs/dbraw/zinc/80/77/80/664807780.db2.gz BZKLBVGFTUHTJB-LBPRGKRZSA-N 1 0 386.265 2.963 20 0 GFADRO C[C@]1([C@@H]2CCC[N@H+](C[C@@H](O)c3ccc(Br)cc3)C2)COC(=O)N1 ZINC000932016655 664808909 /nfs/dbraw/zinc/80/89/09/664808909.db2.gz OEIHJLMDMWSYTC-FRFSOERESA-N 1 0 383.286 2.693 20 0 GFADRO C[C@]1([C@@H]2CCC[N@H+](C[C@H](O)c3ccc(Br)cc3)C2)COC(=O)N1 ZINC000932016662 664808975 /nfs/dbraw/zinc/80/89/75/664808975.db2.gz OEIHJLMDMWSYTC-UKPHBRMFSA-N 1 0 383.286 2.693 20 0 GFADRO CCc1ccc(Br)cc1C(=O)N(C)CCCN1CC[NH+](C)CC1 ZINC000932474804 664822937 /nfs/dbraw/zinc/82/29/37/664822937.db2.gz LSWABFHFYNCJCH-UHFFFAOYSA-N 1 0 382.346 2.721 20 0 GFADRO Cc1cc(C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)cnc1Br ZINC000932697897 664832282 /nfs/dbraw/zinc/83/22/82/664832282.db2.gz PZBHATMAAMGGNU-HNNXBMFYSA-N 1 0 382.302 2.526 20 0 GFADRO C[NH+](C)CC1CCN(C(=O)c2cc(Br)c3nccnc3c2)CC1 ZINC000932713737 664832727 /nfs/dbraw/zinc/83/27/27/664832727.db2.gz VDBWINKIFVJBRE-UHFFFAOYSA-N 1 0 377.286 2.806 20 0 GFADRO CCc1ccc(Br)cc1C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000932714571 664832748 /nfs/dbraw/zinc/83/27/48/664832748.db2.gz LPSIKNAESSEZSH-AWEZNQCLSA-N 1 0 382.346 2.625 20 0 GFADRO Cc1c(I)ccc(NC(=O)N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)c1C ZINC000932719746 664833163 /nfs/dbraw/zinc/83/31/63/664833163.db2.gz OYYYGTIDCILYPD-BETUJISGSA-N 1 0 399.276 2.933 20 0 GFADRO Cc1ncc(NC(=O)N[C@H](C)CC[NH+]2CCN(C)CC2)c(C)c1Br ZINC000932778021 664837406 /nfs/dbraw/zinc/83/74/06/664837406.db2.gz JUSQUKMFTUXRBZ-GFCCVEGCSA-N 1 0 398.349 2.608 20 0 GFADRO O=C(CC[NH+]1CCC([C@H]2COC(=O)N2)CC1)Nc1ccccc1Br ZINC000932777457 664837450 /nfs/dbraw/zinc/83/74/50/664837450.db2.gz YNOCTLAMWKWOGG-OAHLLOKOSA-N 1 0 396.285 2.598 20 0 GFADRO O[C@]1(c2ccc(Br)cc2)CCC[N@H+](C[C@H]2CCC3(COC3)O2)C1 ZINC000932813675 664839798 /nfs/dbraw/zinc/83/97/98/664839798.db2.gz CAIYYHURISXWSQ-SJLPKXTDSA-N 1 0 382.298 2.681 20 0 GFADRO O[C@]1(c2ccc(Br)cc2)CCC[N@H+](C[C@@H]2CCc3ncnn32)C1 ZINC000932815102 664839961 /nfs/dbraw/zinc/83/99/61/664839961.db2.gz LIRMIOXMGXODDU-DOTOQJQBSA-N 1 0 377.286 2.512 20 0 GFADRO O=C1NC[C@@H](O)CC12CC[NH+](Cc1cccc(Cl)c1Br)CC2 ZINC000932831202 664841286 /nfs/dbraw/zinc/84/12/86/664841286.db2.gz ICJVZJTYZKXXPQ-LBPRGKRZSA-N 1 0 387.705 2.566 20 0 GFADRO O=C1NC[C@@H](O)CC12CC[NH+](Cc1oc3ccccc3c1Br)CC2 ZINC000932833246 664841413 /nfs/dbraw/zinc/84/14/13/664841413.db2.gz UGBSBRFJEFVFFT-LBPRGKRZSA-N 1 0 393.281 2.658 20 0 GFADRO C[C@]1(Cc2cc(Cl)cs2)CCC[N@@H+]1CC1(O)CCS(=O)(=O)CC1 ZINC000932924593 664843049 /nfs/dbraw/zinc/84/30/49/664843049.db2.gz ZTNZSDCDZWUFFW-OAHLLOKOSA-N 1 0 377.959 2.738 20 0 GFADRO O=C1NCC2(CCOCC2)[C@H]1[NH2+]Cc1cccc2c(Br)cccc12 ZINC000933036583 664848035 /nfs/dbraw/zinc/84/80/35/664848035.db2.gz WVTCQZDFQANWBZ-KRWDZBQOSA-N 1 0 389.293 2.987 20 0 GFADRO O[C@H](COc1cc(Cl)cc(Cl)c1)C[NH+]1CCC2(CC1)C[C@@H](O)CCO2 ZINC000933057738 664848565 /nfs/dbraw/zinc/84/85/65/664848565.db2.gz YLYDZTMHGKGRBN-HOTGVXAUSA-N 1 0 390.307 2.739 20 0 GFADRO O=S(=O)(C1CC[NH+](C[C@@H](O)c2ccc(Cl)cc2)CC1)N1CCCCC1 ZINC000933085261 664849527 /nfs/dbraw/zinc/84/95/27/664849527.db2.gz CHAJVLAICKUWJK-GOSISDBHSA-N 1 0 386.945 2.654 20 0 GFADRO COCC[N@H+](C)CCCNC(=O)Nc1c(F)ccc(Br)c1F ZINC000933285867 664854295 /nfs/dbraw/zinc/85/42/95/664854295.db2.gz CLYFGLIGKDIBIM-UHFFFAOYSA-N 1 0 380.233 2.817 20 0 GFADRO Cc1csc(=O)n1CC[NH2+][C@@](C)(CO)Cc1ccc(Br)cc1 ZINC000933438146 664864308 /nfs/dbraw/zinc/86/43/08/664864308.db2.gz RVQJUCILILXWSM-MRXNPFEDSA-N 1 0 385.327 2.564 20 0 GFADRO C[C@@H]1C[C@@H](N(C)C(=O)C[C@H]2C(=O)Nc3ccc(Br)cc32)CC[N@@H+]1C ZINC000933447170 664865031 /nfs/dbraw/zinc/86/50/31/664865031.db2.gz VBLYNPVDKSLRJV-OSAQELSMSA-N 1 0 394.313 2.816 20 0 GFADRO CC(C)(C)OC(=O)NCC(C)(C)C1CC[NH+](CCCS(C)(=O)=O)CC1 ZINC000933477617 664866004 /nfs/dbraw/zinc/86/60/04/664866004.db2.gz PXUUTXYTEMDTFT-UHFFFAOYSA-N 1 0 376.563 2.684 20 0 GFADRO O=C(CC[N@@H+]1CCOC[C@H]1C[C@@H]1CCOC1)Nc1ccc(Br)cc1 ZINC000933672058 664872185 /nfs/dbraw/zinc/87/21/85/664872185.db2.gz HDMKYAKEMJDOBU-WMLDXEAASA-N 1 0 397.313 2.905 20 0 GFADRO NC(=O)c1ccc(NC(=O)CC[N@@H+]2CCCSC[C@@H]2C2CC2)cc1Cl ZINC000933916485 664880273 /nfs/dbraw/zinc/88/02/73/664880273.db2.gz ZTIWHSJXHHHOFP-MRXNPFEDSA-N 1 0 381.929 2.985 20 0 GFADRO COCCOc1ccc(NC(=O)N2CC[C@H]3C[N@H+](C)C[C@@H]32)cc1Br ZINC000933991606 664885966 /nfs/dbraw/zinc/88/59/66/664885966.db2.gz QTSFMODSUFSPGU-WFASDCNBSA-N 1 0 398.301 2.642 20 0 GFADRO CN1CCN(Cc2nnc(-c3ccc(Cl)cc3Cl)o2)CC[N@H+](C)CC1 ZINC000933996640 664886367 /nfs/dbraw/zinc/88/63/67/664886367.db2.gz QQHKXFKJCXSMCL-UHFFFAOYSA-N 1 0 384.311 2.723 20 0 GFADRO COCC[N@@H+]1CC[C@H](NC(=O)Nc2nc3ccc4scnc4c3s2)C1 ZINC000934021363 664887460 /nfs/dbraw/zinc/88/74/60/664887460.db2.gz DVJLTXGPVOZZJK-JTQLQIEISA-N 1 0 377.495 2.748 20 0 GFADRO O=C(c1cc(Br)cnc1C1CC1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000934223087 664892759 /nfs/dbraw/zinc/89/27/59/664892759.db2.gz QTZMNGRBMQKUQE-ZDUSSCGKSA-N 1 0 394.313 2.516 20 0 GFADRO Cc1c(Br)cncc1NC(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000934259292 664894829 /nfs/dbraw/zinc/89/48/29/664894829.db2.gz XDBLELGDCCHUTA-CVEARBPZSA-N 1 0 397.317 2.652 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)C[C@H]2C(=O)Nc3c2cccc3Br)C[N@@H+]1C1CC1 ZINC000934399130 664905650 /nfs/dbraw/zinc/90/56/50/664905650.db2.gz ZXBVQCIKEPGZES-UHIISALHSA-N 1 0 392.297 2.616 20 0 GFADRO C[C@@H]([NH2+][C@H]1CCOC12CCOCC2)C(=O)Nc1ccc(Br)cc1 ZINC000934403426 664905909 /nfs/dbraw/zinc/90/59/09/664905909.db2.gz GWCDODNXPLBPNE-DOMZBBRYSA-N 1 0 383.286 2.704 20 0 GFADRO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[NH2+][C@H]1CCOC12CCOCC2 ZINC000934405127 664905922 /nfs/dbraw/zinc/90/59/22/664905922.db2.gz HLOIFEAFQWSEHN-INIZCTEOSA-N 1 0 387.307 2.880 20 0 GFADRO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[NH2+][C@@H]1CCOC12CCOCC2 ZINC000934410854 664906471 /nfs/dbraw/zinc/90/64/71/664906471.db2.gz RZVHUCIENAUQBV-MRXNPFEDSA-N 1 0 387.307 2.880 20 0 GFADRO OC[C@H]([NH2+]C[C@@H](O)Cc1ccccc1)c1ccccc1I ZINC000934826896 664924753 /nfs/dbraw/zinc/92/47/53/664924753.db2.gz HMPHNZARXCPIBZ-YOEHRIQHSA-N 1 0 397.256 2.518 20 0 GFADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3cc(Br)c4nccnc4c3)CC[C@@H]21 ZINC000934889854 664928354 /nfs/dbraw/zinc/92/83/54/664928354.db2.gz KJRQSYCUOMTBBA-WBMJQRKESA-N 1 0 389.297 2.949 20 0 GFADRO CC(C)c1ncc(Br)c(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)n1 ZINC000934891652 664928529 /nfs/dbraw/zinc/92/85/29/664928529.db2.gz TZGSAKKYUFISQM-OCCSQVGLSA-N 1 0 381.318 2.919 20 0 GFADRO CCc1ccc(Br)cc1C(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000935106883 664940124 /nfs/dbraw/zinc/94/01/24/664940124.db2.gz LUGLPWCINIBFCF-UHFFFAOYSA-N 1 0 383.330 2.930 20 0 GFADRO C[C@H]1Cc2ccc(Br)cc2CN1C(=O)COC1CC[NH+](C)CC1 ZINC000935178019 664944799 /nfs/dbraw/zinc/94/47/99/664944799.db2.gz VUYPSKVOVPPZFE-ZDUSSCGKSA-N 1 0 381.314 2.833 20 0 GFADRO O=Cc1cc(C(=O)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)c(Cl)s1 ZINC000935318993 664953736 /nfs/dbraw/zinc/95/37/36/664953736.db2.gz YKSQEMQLAZCQDO-CQSZACIVSA-N 1 0 378.881 2.711 20 0 GFADRO CS[C@H]1CN(C(=O)c2ccc(NC(C)=O)c(Cl)c2)C[C@H]1[NH+]1CCCC1 ZINC000935367064 664956720 /nfs/dbraw/zinc/95/67/20/664956720.db2.gz JKYOCZFXDIWVHZ-SJORKVTESA-N 1 0 381.929 2.950 20 0 GFADRO C[NH+](C)[C@H]1CCCN(C(=O)C[C@@H]2C(=O)Nc3c2cccc3Br)CC1 ZINC000935650307 664977408 /nfs/dbraw/zinc/97/74/08/664977408.db2.gz XXUQYBOQOCCJFJ-JSGCOSHPSA-N 1 0 394.313 2.818 20 0 GFADRO C[NH+](C)[C@H]1CCOc2c(NC(=O)c3ncc(Br)cn3)cccc21 ZINC000935717839 664983732 /nfs/dbraw/zinc/98/37/32/664983732.db2.gz MYTUAJQRAVLSHD-ZDUSSCGKSA-N 1 0 377.242 2.877 20 0 GFADRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1nc(Br)c2ccccn21 ZINC000935978294 665002237 /nfs/dbraw/zinc/00/22/37/665002237.db2.gz WGKMQDFHHZUYER-QWHCGFSZSA-N 1 0 377.286 2.796 20 0 GFADRO CC(C)[N@@H+](C)C[C@H](C)NC(=O)C[C@@H]1C(=O)Nc2c1cccc2Br ZINC000936030512 665005223 /nfs/dbraw/zinc/00/52/23/665005223.db2.gz OSDFDHPYBBIBFM-AAEUAGOBSA-N 1 0 382.302 2.720 20 0 GFADRO CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCN1C(=O)c1sccc1Cl ZINC000984944100 665019202 /nfs/dbraw/zinc/01/92/02/665019202.db2.gz GDLAAONWFLOTRX-RJZRQDKASA-N 1 0 383.945 2.851 20 0 GFADRO C[C@@H]1[C@H](C(=O)NC[C@@H]2CN(C(=O)c3sccc3Cl)C[C@H]2C)CC[N@@H+]1C ZINC000994088443 665022821 /nfs/dbraw/zinc/02/28/21/665022821.db2.gz NMLAWFVENAKHHZ-AAVRWANBSA-N 1 0 383.945 2.566 20 0 GFADRO Cc1csc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H]2CC[N@@H+](C)C2)c1Cl ZINC000996747193 665033518 /nfs/dbraw/zinc/03/35/18/665033518.db2.gz QVWUVAFMZGZWAW-CRWXNKLISA-N 1 0 381.929 2.523 20 0 GFADRO C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)c2cc(Cl)cs2)C1 ZINC000998630510 665040551 /nfs/dbraw/zinc/04/05/51/665040551.db2.gz LMOWUFGUVPBTND-ATGSNQNLSA-N 1 0 381.929 2.605 20 0 GFADRO C[C@H]1CCC[N@@H+]1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccc(Cl)s1 ZINC001006281511 665069595 /nfs/dbraw/zinc/06/95/95/665069595.db2.gz SXGJNPGDUVAKGA-DGAVXFQQSA-N 1 0 381.929 2.748 20 0 GFADRO C[C@H]1CC[N@H+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2cscc2Cl)C1 ZINC001006290047 665069819 /nfs/dbraw/zinc/06/98/19/665069819.db2.gz UDQSTCZRIIDZOB-OJDYBEQGSA-N 1 0 381.929 2.605 20 0 GFADRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2cccc(Br)c2)C1)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001022746192 665074110 /nfs/dbraw/zinc/07/41/10/665074110.db2.gz HOCRQKXDYXJFIN-JJTUDDRGSA-N 1 0 379.298 2.753 20 0 GFADRO C[N@H+](CCCO)C1CCN(C[C@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000115546309 677395402 /nfs/dbraw/zinc/39/54/02/677395402.db2.gz KXDQPFVISYDACV-INIZCTEOSA-N 1 0 391.339 2.512 20 0 GFADRO CN(C)c1ccc(C(N)=[NH+]OCC(=O)Nc2ccc(Br)cc2)cc1 ZINC000120381150 677395975 /nfs/dbraw/zinc/39/59/75/677395975.db2.gz KZCJETVHLAJLTN-UHFFFAOYSA-N 1 0 391.269 2.791 20 0 GFADRO Cc1ccc(OCc2nc(C[NH2+]CC3CCS(=O)(=O)CC3)cs2)cc1 ZINC000120866892 677398055 /nfs/dbraw/zinc/39/80/55/677398055.db2.gz VEIIEGIBKFTVIL-UHFFFAOYSA-N 1 0 380.535 2.945 20 0 GFADRO CS(=O)(=O)c1ccc([C@@H](O)C[NH2+]Cc2ccsc2Br)cc1 ZINC000388383262 677408088 /nfs/dbraw/zinc/40/80/88/677408088.db2.gz VJIHEHUNHVJXBI-ZDUSSCGKSA-N 1 0 390.324 2.737 20 0 GFADRO CC[NH+](CC)CC1CCN(S(=O)(=O)c2c(Cl)nc3ccccn32)CC1 ZINC000392253625 677409816 /nfs/dbraw/zinc/40/98/16/677409816.db2.gz YEFCLANSCAEFQE-UHFFFAOYSA-N 1 0 384.933 2.730 20 0 GFADRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NS(=O)(=O)c1cccnc1Cl ZINC000398162063 677411866 /nfs/dbraw/zinc/41/18/66/677411866.db2.gz QWXCDJMTCCVOIR-GDBMZVCRSA-N 1 0 379.913 2.924 20 0 GFADRO Cc1nc(Cl)ccc1S(=O)(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000389978978 677673034 /nfs/dbraw/zinc/67/30/34/677673034.db2.gz HJGGVPDIYNZPPY-CZUORRHYSA-N 1 0 379.913 2.842 20 0 GFADRO COc1ccc(C[C@@H](CO)C[NH2+]Cc2nc(C)c(C)[nH]2)cc1Br ZINC000580216715 677673847 /nfs/dbraw/zinc/67/38/47/677673847.db2.gz FEEHTOPIMUTRIS-CQSZACIVSA-N 1 0 382.302 2.738 20 0 GFADRO FC(F)(c1ccc2c(Cl)nc(Cl)nc2c1)N1CCN2CC[NH2+]C[C@@H]2C1 ZINC001164399307 718835156 /nfs/dbraw/zinc/83/51/56/718835156.db2.gz SIGHTSFUOYEOPD-LLVKDONJSA-N 1 0 388.249 2.575 20 0 GFADRO FC(F)(c1ccc(Cl)nc1Cl)N1CCCO[C@@]2(C[NH2+]CCOC2)C1 ZINC001164421075 718912921 /nfs/dbraw/zinc/91/29/21/718912921.db2.gz OISWZUFWXRJESN-AWEZNQCLSA-N 1 0 382.238 2.519 20 0 GFADRO COC(=O)CSc1cncc(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)n1 ZINC001164627405 719103890 /nfs/dbraw/zinc/10/38/90/719103890.db2.gz KDFSBHUBPULGJP-ZWKOTPCHSA-N 1 0 398.532 2.843 20 0 GFADRO CNC(=O)c1cc(Cl)nc(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC001164630880 719111232 /nfs/dbraw/zinc/11/12/32/719111232.db2.gz XCXRMHYXMZQVTF-WBVHZDCISA-N 1 0 385.899 2.590 20 0 GFADRO COC(=O)c1cc(C(F)(F)N2C[C@H](CF)[C@@H](C3([NH3+])CC3)C2)cnc1Cl ZINC001164629331 719117993 /nfs/dbraw/zinc/11/79/93/719117993.db2.gz RYJJHIXSVDYQMS-CABZTGNLSA-N 1 0 377.794 2.580 20 0 GFADRO COC(=O)[C@@H]1C[NH2+]CCN1C(F)(F)c1cc(-c2cccc(C)c2)nnc1Cl ZINC001164633073 719138841 /nfs/dbraw/zinc/13/88/41/719138841.db2.gz QZGRQIHEIZFECY-HNNXBMFYSA-N 1 0 396.825 2.602 20 0 GFADRO Cc1ccc(S(=O)(=O)n2ccc3c2ncnc3N2C[C@@H](C)[N@@H+](C)C[C@@H]2C)cc1 ZINC001164634957 719161389 /nfs/dbraw/zinc/16/13/89/719161389.db2.gz KNKZHYQILDFHFM-CVEARBPZSA-N 1 0 399.520 2.506 20 0 GFADRO CC(C)n1nc(CN(C)C)c2c1CN(c1cc(Cl)nc3c1CC[NH2+]C3)CC2 ZINC001164652866 719314129 /nfs/dbraw/zinc/31/41/29/719314129.db2.gz RXPKLLMWYXNUIZ-UHFFFAOYSA-N 1 0 388.947 2.782 20 0 GFADRO COC(=O)c1ccc2ccnc(-n3nc(CN(C)C(C)C)c4c3C[NH2+]CC4)c2c1 ZINC001164685075 719617460 /nfs/dbraw/zinc/61/74/60/719617460.db2.gz QPGLJIFKEPLUPV-UHFFFAOYSA-N 1 0 393.491 2.693 20 0 GFADRO CC(C)N(C)Cc1nn(-c2ccc(C(=O)OC(C)(C)C)cn2)c2c1CC[NH2+]C2 ZINC001164681533 719621184 /nfs/dbraw/zinc/62/11/84/719621184.db2.gz HOPLDJRZWOLDGH-UHFFFAOYSA-N 1 0 385.512 2.709 20 0 GFADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1ncnc3c1ccn3C1CCCC1)CC2 ZINC001164686495 719723075 /nfs/dbraw/zinc/72/30/75/719723075.db2.gz OSMSVDOJXUVDOB-UHFFFAOYSA-N 1 0 396.539 2.727 20 0 GFADRO CC[C@@H](C)c1nc2[nH]ccc2c(N2CCC3(CCC[N@@H+]3CC(=O)NC)CC2)n1 ZINC001164690486 719758248 /nfs/dbraw/zinc/75/82/48/719758248.db2.gz CMMSFFAVVONKAS-OAHLLOKOSA-N 1 0 384.528 2.652 20 0 GFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cc(Cl)cc(C(=O)OC)n1)C2 ZINC001164814286 720087613 /nfs/dbraw/zinc/08/76/13/720087613.db2.gz WKPMYCKKFHVIMH-YWZLYKJASA-N 1 0 393.915 2.706 20 0 GFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(C)nc(Cl)c1OC)C2 ZINC001164815402 720115511 /nfs/dbraw/zinc/11/55/11/720115511.db2.gz VFTFOMQRFNWBCX-DNVCBOLYSA-N 1 0 380.920 2.632 20 0 GFADRO C=Cc1nc(Cl)nc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COC)c1OC ZINC001164815950 720157979 /nfs/dbraw/zinc/15/79/79/720157979.db2.gz JAFKIPNRPGIBRS-MGPUTAFESA-N 1 0 392.931 2.966 20 0 GFADRO Cn1nnc2c1CCN(c1ccc3ccccc3n1)[C@H]2COCC[NH+]1CCCC1 ZINC001164715283 720165987 /nfs/dbraw/zinc/16/59/87/720165987.db2.gz UIYWGLVIGAYMJJ-FQEVSTJZSA-N 1 0 392.507 2.580 20 0 GFADRO CSCc1ccc(N2CCCn3c(=O)cc(C[N@H+](C)C(C)C)nc3C2)nc1 ZINC001164811850 720240927 /nfs/dbraw/zinc/24/09/27/720240927.db2.gz ACYYSXXQLPDXRH-UHFFFAOYSA-N 1 0 387.553 2.752 20 0 GFADRO Cc1nc(Cl)nc(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c1C ZINC001164817852 720286375 /nfs/dbraw/zinc/28/63/75/720286375.db2.gz GGKZIOTVBXICFI-DLBZAZTESA-N 1 0 391.947 2.658 20 0 GFADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2nccc3ncccc32)CC1 ZINC001164821916 720299593 /nfs/dbraw/zinc/29/95/93/720299593.db2.gz LYTJAPWNHMACRD-PMACEKPBSA-N 1 0 379.508 2.541 20 0 GFADRO Cc1ccc(Cl)c(N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164819266 720303681 /nfs/dbraw/zinc/30/36/81/720303681.db2.gz DFKQGQTVBLDFFH-MSOLQXFVSA-N 1 0 376.932 2.955 20 0 GFADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2cnc(-c3ccco3)cn2)CC1 ZINC001164818973 720312513 /nfs/dbraw/zinc/31/25/13/720312513.db2.gz CDWLNUCXIIUZIC-OALUTQOASA-N 1 0 395.507 2.648 20 0 GFADRO COc1ccc(Cl)nc1N1CC[C@@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164826235 720322911 /nfs/dbraw/zinc/32/29/11/720322911.db2.gz FULMBWWLRPHNFN-HZPDHXFCSA-N 1 0 392.931 2.655 20 0 GFADRO O=C(c1cccnc1N1CC[C@H]2[C@H]1CC[N@@H+]2Cc1cccnc1)N1CCCCC1 ZINC001164729904 720337743 /nfs/dbraw/zinc/33/77/43/720337743.db2.gz YVMJWURWCZHCBC-LEWJYISDSA-N 1 0 391.519 2.956 20 0 GFADRO CSCc1ccc(N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc1 ZINC001164821482 720346032 /nfs/dbraw/zinc/34/60/32/720346032.db2.gz AMESCJFEWFCLME-OALUTQOASA-N 1 0 388.581 2.856 20 0 GFADRO COC(=O)c1ccc2nc(N3CC[C@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)ncc2c1 ZINC001164728463 720347779 /nfs/dbraw/zinc/34/77/79/720347779.db2.gz VTHMHQCDVGNUFT-VQTJNVASSA-N 1 0 389.459 2.665 20 0 GFADRO Cc1noc([C@@H]2CC[C@H]3[C@H](CCN3c3cccc(OCC[NH+]4CCCC4)n3)O2)n1 ZINC001164828779 720406790 /nfs/dbraw/zinc/40/67/90/720406790.db2.gz LGFDJBBNIANMMT-BZSNNMDCSA-N 1 0 399.495 2.747 20 0 GFADRO CCOC(=O)c1cnc2cc(N3CC[C@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)[nH]cc1-2 ZINC001164735739 720427383 /nfs/dbraw/zinc/42/73/83/720427383.db2.gz YJKUWJKVNREMKE-PMACEKPBSA-N 1 0 391.475 2.988 20 0 GFADRO CCOC(=O)c1cccc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)n1 ZINC001164838063 720529547 /nfs/dbraw/zinc/52/95/47/720529547.db2.gz NTERZMKTCWFIDC-QWFCFKBJSA-N 1 0 397.523 2.833 20 0 GFADRO Cc1nc2c(c(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cccn5)[N@H+]4C(C)C)C3)n1)CCC2 ZINC001164838812 720583725 /nfs/dbraw/zinc/58/37/25/720583725.db2.gz MAUIVUFEOBUOIS-BBTUJRGHSA-N 1 0 380.540 2.848 20 0 GFADRO COc1ccc2nc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)c(C)cc2c1 ZINC001164740938 720606763 /nfs/dbraw/zinc/60/67/63/720606763.db2.gz KRKPFCFZJQYQIC-MJGOQNOKSA-N 1 0 391.475 2.684 20 0 GFADRO Cc1cc(C(N)=O)cc(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC001164839332 720725984 /nfs/dbraw/zinc/72/59/84/720725984.db2.gz KZZPEOWBKFCMTE-HXUWFJFHSA-N 1 0 394.519 2.749 20 0 GFADRO [O-][n+]1ccc(C(F)(F)N2CCCn3cnc(C[NH2+]C4CCC4)c3C2)cc1Cl ZINC001164844039 720740088 /nfs/dbraw/zinc/74/00/88/720740088.db2.gz OGCCWLUYUPIHLM-UHFFFAOYSA-N 1 0 397.857 2.767 20 0 GFADRO Cc1cccc(-c2ccc(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)nn2)c1 ZINC001164737815 720765170 /nfs/dbraw/zinc/76/51/70/720765170.db2.gz CYGJNUVQHFPYDU-RBUKOAKNSA-N 1 0 388.475 2.584 20 0 GFADRO c1ncn(C[C@H]2C[C@H]3CN(c4cnc5ccccc5n4)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164751293 720813559 /nfs/dbraw/zinc/81/35/59/720813559.db2.gz YCCRNHWVVKNIEO-WAOWUJCRSA-N 1 0 389.507 2.601 20 0 GFADRO CC(C)c1ccnc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164751030 720838439 /nfs/dbraw/zinc/83/84/39/720838439.db2.gz XXQFWYDYAQDCGT-CMKODMSKSA-N 1 0 381.528 2.571 20 0 GFADRO Fc1cnc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c2[nH]ccc21 ZINC001164749481 720841939 /nfs/dbraw/zinc/84/19/39/720841939.db2.gz VXTMLWOTVVXXIH-GPMSIDNRSA-N 1 0 395.486 2.673 20 0 GFADRO CSCc1ccnc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c1 ZINC001164749444 720855442 /nfs/dbraw/zinc/85/54/42/720855442.db2.gz NFDKDUSXAJYNFS-VAMGGRTRSA-N 1 0 398.580 2.916 20 0 GFADRO COCC[N@@H+]1CCO[C@@H]2CN(c3nc(SC)nc4ccccc43)CC[C@@H]2C1 ZINC001164858931 720859762 /nfs/dbraw/zinc/85/97/62/720859762.db2.gz SYRFLHOQCIIHLO-CRAIPNDOSA-N 1 0 388.537 2.525 20 0 GFADRO COCC[N@@H+]1CCO[C@@H]2CN(C(F)(F)c3nc(Cl)ccc3C)CC[C@H]2C1 ZINC001164854809 720863488 /nfs/dbraw/zinc/86/34/88/720863488.db2.gz KPHHCDKSYWDYJH-LSDHHAIUSA-N 1 0 389.874 2.762 20 0 GFADRO Cc1ccnnc1N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164755739 720879953 /nfs/dbraw/zinc/87/99/53/720879953.db2.gz YMIYOEJVDSDLPD-JTHBVZDNSA-N 1 0 393.535 2.935 20 0 GFADRO COCC[N@@H+]1CCO[C@H]2CN(c3ncc(F)c(-c4ccsc4)n3)CC[C@H]2C1 ZINC001164861615 720888763 /nfs/dbraw/zinc/88/87/63/720888763.db2.gz PVCJRLQUTVLDQM-YOEHRIQHSA-N 1 0 392.500 2.518 20 0 GFADRO COC(=O)c1c[nH]c2nc(N3CCn4c(C[N@H+](C)C(C)C)cnc4[C@H]3C)ccc12 ZINC001164857055 720946996 /nfs/dbraw/zinc/94/69/96/720946996.db2.gz GHFFQUQSGWGMNY-CQSZACIVSA-N 1 0 396.495 2.967 20 0 GFADRO CCOC(=O)c1cnc(C)nc1N1CCn2c(C[N@H+](C)C(C)C)cnc2[C@@H]1C ZINC001164863191 720947191 /nfs/dbraw/zinc/94/71/91/720947191.db2.gz YPCCXNVFROTTDX-AWEZNQCLSA-N 1 0 386.500 2.580 20 0 GFADRO Cc1nc2cc(F)ccc2c(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164865833 721067567 /nfs/dbraw/zinc/06/75/67/721067567.db2.gz AIDIIPJNAWNLTP-RTBURBONSA-N 1 0 393.466 2.952 20 0 GFADRO CSc1nc2c(c(N3C[C@H]4CC[N@H+](Cc5cnn(C)c5)C[C@@H]4C3)n1)CCCC2 ZINC001164773232 721123198 /nfs/dbraw/zinc/12/31/98/721123198.db2.gz XGYHOJXOIIZHIG-IAGOWNOFSA-N 1 0 398.580 2.769 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN([C@H](F)Oc4ccc(Cl)nc4)C[C@H]3C2)cn1 ZINC001164763346 721132642 /nfs/dbraw/zinc/13/26/42/721132642.db2.gz FGHWLZAAZWMVHG-RKVPGOIHSA-N 1 0 379.867 2.554 20 0 GFADRO COc1cc(N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)nc2ccccc21 ZINC001164764221 721171682 /nfs/dbraw/zinc/17/16/82/721171682.db2.gz GOURVROWXGVCNF-ZWKOTPCHSA-N 1 0 377.492 2.935 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4ccc(COC5CCC5)cn4)C[C@@H]3C2)cn1 ZINC001164763903 721231646 /nfs/dbraw/zinc/23/16/46/721231646.db2.gz OAUYXTZARJNZDL-UXHICEINSA-N 1 0 381.524 2.843 20 0 GFADRO CCSc1ccnc(N2CC[C@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)c1 ZINC001164894295 721445527 /nfs/dbraw/zinc/44/55/27/721445527.db2.gz LLALWFXTPBQEBA-RXVVDRJESA-N 1 0 390.597 2.959 20 0 GFADRO CCOC(=O)c1cncc(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)n1 ZINC001164792008 721494746 /nfs/dbraw/zinc/49/47/46/721494746.db2.gz JIAHRLHIFUJQSG-UHFFFAOYSA-N 1 0 395.507 2.929 20 0 GFADRO O=C1NC2(C[C@H]1c1ccncc1)CCN(c1ccc(C[NH+]3CCCC3)cn1)CC2 ZINC001164899459 721504725 /nfs/dbraw/zinc/50/47/25/721504725.db2.gz YQLOYLKZDSUVTQ-FQEVSTJZSA-N 1 0 391.519 2.715 20 0 GFADRO C[N@H+](Cc1ccc(N2CCC3(C[C@H](c4ccncc4)C(=O)N3)CC2)nc1)C1CC1 ZINC001164897420 721505121 /nfs/dbraw/zinc/50/51/21/721505121.db2.gz LQVBAUYXOIBWOH-HXUWFJFHSA-N 1 0 391.519 2.714 20 0 GFADRO O=C1NC2(C[C@@H]1c1ccncc1)CCN(c1ncccc1C[NH+]1CCCC1)CC2 ZINC001164897514 721505656 /nfs/dbraw/zinc/50/56/56/721505656.db2.gz MYHPMCCMSJLNAE-HXUWFJFHSA-N 1 0 391.519 2.715 20 0 GFADRO COc1cc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)nc(SC)n1 ZINC001164905241 721533803 /nfs/dbraw/zinc/53/38/03/721533803.db2.gz HESWQCIAGQDMMR-GOEBONIOSA-N 1 0 390.484 2.688 20 0 GFADRO CCCNC(=O)c1cccnc1N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164909293 721553379 /nfs/dbraw/zinc/55/33/79/721553379.db2.gz UGYBQFCJQFQFER-MJGOQNOKSA-N 1 0 398.482 2.702 20 0 GFADRO CC(C)COc1nccnc1N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164906075 721561070 /nfs/dbraw/zinc/56/10/70/721561070.db2.gz ISLSMMUPIXTNRY-HKUYNNGSSA-N 1 0 386.471 2.992 20 0 GFADRO COc1cncnc1N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164904939 721695870 /nfs/dbraw/zinc/69/58/70/721695870.db2.gz IBSWLHOYOMDITK-GOSISDBHSA-N 1 0 375.423 2.618 20 0 GFADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2nnc(Cl)c3ccccc32)CC1 ZINC001165008417 721732122 /nfs/dbraw/zinc/73/21/22/721732122.db2.gz NVHJWCGBAUHSHW-UHFFFAOYSA-N 1 0 387.915 2.806 20 0 GFADRO CSc1cc(Cl)ncc1N1CCCC12CC[NH+](CC(=O)N(C)C)CC2 ZINC001165011594 721735528 /nfs/dbraw/zinc/73/55/28/721735528.db2.gz SAZJSKMMSDPPBC-UHFFFAOYSA-N 1 0 382.961 2.980 20 0 GFADRO COc1cc(N2CCCC23CC[NH+](CC(=O)N(C)C)CC3)nc2ccccc21 ZINC001165011627 721742626 /nfs/dbraw/zinc/74/26/26/721742626.db2.gz ZSTWSOHQOQRKAM-UHFFFAOYSA-N 1 0 382.508 2.766 20 0 GFADRO COc1cc(OC)nc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)n1 ZINC001165025011 721805457 /nfs/dbraw/zinc/80/54/57/721805457.db2.gz NBPSRSDWOUMXBR-SZMVWBNQSA-N 1 0 383.496 2.626 20 0 GFADRO CCOC(=O)c1cc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)ncn1 ZINC001165017786 721807435 /nfs/dbraw/zinc/80/74/35/721807435.db2.gz AQUXSZBMSIMENT-HQRMLTQVSA-N 1 0 395.507 2.785 20 0 GFADRO CN(C)C(=O)c1ccc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)nc1 ZINC001165028920 721808725 /nfs/dbraw/zinc/80/87/25/721808725.db2.gz YCQQWTBOEPNSTE-SESVDKBCSA-N 1 0 393.535 2.915 20 0 GFADRO Cc1ccnc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)c1C(N)=O ZINC001165021574 721809677 /nfs/dbraw/zinc/80/96/77/721809677.db2.gz DOLUZONWKUUKDQ-WDSOQIARSA-N 1 0 379.508 2.621 20 0 GFADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc4c(n3)NC(=O)CO4)C[C@@H]21 ZINC001165018775 721814822 /nfs/dbraw/zinc/81/48/22/721814822.db2.gz ACISXFMBXXRBBE-BPQIPLTHSA-N 1 0 393.491 2.544 20 0 GFADRO CCNC(=O)c1cccnc1N1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165018801 721817598 /nfs/dbraw/zinc/81/75/98/721817598.db2.gz AGYOYZRETXOPSB-IOMROCGXSA-N 1 0 393.535 2.963 20 0 GFADRO COc1cc(N(C)C2CC[NH+](Cc3c(OC)cccc3OC)CC2)nc(C)n1 ZINC001165023378 721840930 /nfs/dbraw/zinc/84/09/30/721840930.db2.gz WBQGCIADYWZYTB-UHFFFAOYSA-N 1 0 386.496 2.912 20 0 GFADRO COc1ccc2nc(Cl)nc(N3CC[C@H]4[C@H]3CC[N@@H+]4CCN(C)C)c2c1 ZINC001164922880 721847553 /nfs/dbraw/zinc/84/75/53/721847553.db2.gz SBGAXDKTAUZKEB-DLBZAZTESA-N 1 0 375.904 2.506 20 0 GFADRO C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2C(F)(F)c1nc(Cl)ncc1Cl ZINC001164928559 721854665 /nfs/dbraw/zinc/85/46/65/721854665.db2.gz OJTDNMYBIVGETH-RYUDHWBXSA-N 1 0 380.270 2.543 20 0 GFADRO C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2c1nccnc1C1SCCCS1 ZINC001164926076 721856924 /nfs/dbraw/zinc/85/69/24/721856924.db2.gz HBDDIRFIJXXLOF-GJZGRUSLSA-N 1 0 379.599 2.560 20 0 GFADRO Cc1cc2nc(N3CC[NH+](C4CCCC4)CC3)nc(N3CCOCC3)c2s1 ZINC001165027923 721857742 /nfs/dbraw/zinc/85/77/42/721857742.db2.gz CNDMSVPKVUSAMM-UHFFFAOYSA-N 1 0 387.553 2.901 20 0 GFADRO C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2C(F)(F)c1cc(C2CC2)nnc1Cl ZINC001164931482 721880838 /nfs/dbraw/zinc/88/08/38/721880838.db2.gz FROUEGFTERXYMG-HZPDHXFCSA-N 1 0 385.890 2.767 20 0 GFADRO CCOc1ccc(-c2ccc(N3CC[C@H]4[C@@H]3CCN4CC[NH+](C)C)nn2)cc1 ZINC001164935940 721884008 /nfs/dbraw/zinc/88/40/08/721884008.db2.gz YQDTYWOUCLRHJY-SFTDATJTSA-N 1 0 381.524 2.757 20 0 GFADRO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2c1cc(SCc2ccccc2)ncn1 ZINC001164935123 721884623 /nfs/dbraw/zinc/88/46/23/721884623.db2.gz WCNNLMPUQIEMHD-RBUKOAKNSA-N 1 0 383.565 2.984 20 0 GFADRO Cc1cc2c(ncnc2N2CCC[C@@H]([NH+](C)C)C2)n1S(=O)(=O)c1ccccc1 ZINC001165037463 721888147 /nfs/dbraw/zinc/88/81/47/721888147.db2.gz YBEMIURCACHMQJ-MRXNPFEDSA-N 1 0 399.520 2.507 20 0 GFADRO CN1C(=O)CC[C@H]2[C@@H]1CCN2C(F)(F)c1cnc(Cl)c(C2=CC[NH2+]CC2)c1 ZINC001164936541 721894623 /nfs/dbraw/zinc/89/46/23/721894623.db2.gz ZGPFURBQOOUNRI-HOTGVXAUSA-N 1 0 396.869 2.856 20 0 GFADRO Fc1cccc(Cn2ccc3c2ncnc3N2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC001165037397 721911355 /nfs/dbraw/zinc/91/13/55/721911355.db2.gz GGRIZRLKMQWGDL-LJQANCHMSA-N 1 0 395.482 2.920 20 0 GFADRO CC1(C)NC(=O)N(Cc2ccc(N3CCCC[C@@H]3CC[NH+]3CCCC3)nc2)C1=O ZINC001165046618 721976187 /nfs/dbraw/zinc/97/61/87/721976187.db2.gz BHCGQCQAAJOUHH-GOSISDBHSA-N 1 0 399.539 2.757 20 0 GFADRO CN(C)C(=O)N[C@@H]1CCO[C@@]2(CC[N@@H+](C(C)(C)c3ccnc(Cl)c3)C2)C1 ZINC001164952711 722011251 /nfs/dbraw/zinc/01/12/51/722011251.db2.gz AGCMGVWIDRXQNP-BEFAXECRSA-N 1 0 380.920 2.865 20 0 GFADRO COC(=O)c1cc(F)cnc1N1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001164955747 722013477 /nfs/dbraw/zinc/01/34/77/722013477.db2.gz YLFYQZKFVVHDDU-UHFFFAOYSA-N 1 0 384.455 2.895 20 0 GFADRO NC(=S)c1cnc(N2CC[NH+](CCc3ccccn3)CC2)c2sccc21 ZINC001165054916 722020456 /nfs/dbraw/zinc/02/04/56/722020456.db2.gz JQEBXSAQMHTGSD-UHFFFAOYSA-N 1 0 383.546 2.690 20 0 GFADRO Cc1nc(Cl)cc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)n1 ZINC001164961206 722051853 /nfs/dbraw/zinc/05/18/53/722051853.db2.gz VUVZTRLPHXXBFR-UHFFFAOYSA-N 1 0 387.915 2.952 20 0 GFADRO Clc1nc2c(Cl)nccc2c(N2C[C@@H]3C[N@@H+](CC4CC4)C[C@H](C2)O3)n1 ZINC001164967853 722074876 /nfs/dbraw/zinc/07/48/76/722074876.db2.gz ZYCVENDKHXTBAZ-TXEJJXNPSA-N 1 0 380.279 2.631 20 0 GFADRO c1cc2ncnc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)c2s1 ZINC001164986600 722100742 /nfs/dbraw/zinc/10/07/42/722100742.db2.gz ZKTJWGJLJJGWQX-SJLPKXTDSA-N 1 0 381.505 2.814 20 0 GFADRO COc1ccc(Cl)nc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164972472 722124411 /nfs/dbraw/zinc/12/44/11/722124411.db2.gz FRAGNFZVZNYHMN-SJLPKXTDSA-N 1 0 388.899 2.866 20 0 GFADRO c1c[nH]c(-c2ccnc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)c2)n1 ZINC001164982786 722132344 /nfs/dbraw/zinc/13/23/44/722132344.db2.gz SMWUGYXKPZVDDQ-WOJBJXKFSA-N 1 0 390.491 2.594 20 0 GFADRO CC(C)COc1cncc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164984611 722144188 /nfs/dbraw/zinc/14/41/88/722144188.db2.gz XTBARFHNGNUSML-PMACEKPBSA-N 1 0 397.523 2.634 20 0 GFADRO O=C(NC1CC1)c1ccc(N2CCC[C@@]3(CC[N@H+]3Cc3cccc(F)c3)C2)nn1 ZINC001164998908 722210734 /nfs/dbraw/zinc/21/07/34/722210734.db2.gz YNIXKEJNMVEONA-JOCHJYFZSA-N 1 0 395.482 2.753 20 0 GFADRO CC(C)Sc1ccc(N2CCCn3cnc(COCC[NH+](C)C)c3C2)nn1 ZINC001165004959 722257031 /nfs/dbraw/zinc/25/70/31/722257031.db2.gz YQJKSWDPWKODOC-UHFFFAOYSA-N 1 0 390.557 2.662 20 0 GFADRO C[NH+](C)CCOCCNC(=O)Nc1nnc(-c2ccc(Cl)cc2F)s1 ZINC000471315357 532549419 /nfs/dbraw/zinc/54/94/19/532549419.db2.gz DRCOZVRNOVRFJF-UHFFFAOYSA-N 1 0 387.868 2.697 20 0 GFADRO O=C(c1ccccc1I)N1CCN(c2cc[nH+]cc2)CC1 ZINC000024086478 204817480 /nfs/dbraw/zinc/81/74/80/204817480.db2.gz OLGNZLOFSKYLBQ-UHFFFAOYSA-N 1 0 393.228 2.649 20 0 GFADRO CCCOc1c(Br)cc(C[NH2+]CC[C@]2(O)CCOC2)cc1OC ZINC000404151495 563536150 /nfs/dbraw/zinc/53/61/50/563536150.db2.gz AUGRMDCLWXZASO-KRWDZBQOSA-N 1 0 388.302 2.878 20 0 GFADRO CS(=O)(=O)N[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(F)cc1Br ZINC000331164408 563538285 /nfs/dbraw/zinc/53/82/85/563538285.db2.gz GHPJIVVGCJOJRA-KBPBESRZSA-N 1 0 379.295 2.538 20 0 GFADRO CS(=O)(=O)N1CCC([NH2+]Cc2ccc(Cl)cc2Br)CC1 ZINC000126388748 551328893 /nfs/dbraw/zinc/32/88/93/551328893.db2.gz VZKRNBBXRHCVML-UHFFFAOYSA-N 1 0 381.723 2.616 20 0 GFADRO OC[C@@H]1C[N@H+](C[C@@H](O)c2ccc(Br)cc2)CC[C@@H]1C(F)(F)F ZINC000286325308 563556480 /nfs/dbraw/zinc/55/64/80/563556480.db2.gz DMDYLAMMJSFPTL-FPMFFAJLSA-N 1 0 382.220 2.975 20 0 GFADRO C[N@H+](CCc1nccs1)C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000439436372 563724779 /nfs/dbraw/zinc/72/47/79/563724779.db2.gz HIMCTQPLDGQALV-CYBMUJFWSA-N 1 0 389.290 2.959 20 0 GFADRO C[NH+](C)CCN(C1CC1)S(=O)(=O)c1cccc(Cl)c1Br ZINC000414464588 563741597 /nfs/dbraw/zinc/74/15/97/563741597.db2.gz PRGYGSDGSGSNCZ-UHFFFAOYSA-N 1 0 381.723 2.817 20 0 GFADRO C[NH+](C)CC(C)(C)CNS(=O)(=O)c1ccc(Br)cc1Cl ZINC000007612749 551100924 /nfs/dbraw/zinc/10/09/24/551100924.db2.gz KYGFCGRPIRCOMQ-UHFFFAOYSA-N 1 0 383.739 2.969 20 0 GFADRO C[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2Br)[C@@H]1C[NH3+] ZINC000440745586 563749486 /nfs/dbraw/zinc/74/94/86/563749486.db2.gz GUCMZZSMIPEWKM-JOYOIKCWSA-N 1 0 381.723 2.850 20 0 GFADRO C[C@H]1c2ccsc2CC[N@H+]1CCOc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000027371942 551122629 /nfs/dbraw/zinc/12/26/29/551122629.db2.gz OKONWBNUIJQZEX-AWEZNQCLSA-N 1 0 380.535 2.997 20 0 GFADRO COc1ccc(S(=O)(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)cc1Cl ZINC000042157689 551138692 /nfs/dbraw/zinc/13/86/92/551138692.db2.gz KCBFFWVYTSVWFZ-OAHLLOKOSA-N 1 0 382.913 2.800 20 0 GFADRO O=C(CNC(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12)Nc1cc(Cl)ccc1Cl ZINC000043139312 551141096 /nfs/dbraw/zinc/14/10/96/551141096.db2.gz VUSJEEYFRITOCN-DZGCQCFKSA-N 1 0 385.295 2.858 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)N1CCN(Cc2ccsc2)CC1)c1ccsc1 ZINC000045658413 551147353 /nfs/dbraw/zinc/14/73/53/551147353.db2.gz LAPHNGUHRXRWDN-KRWDZBQOSA-N 1 0 378.567 2.940 20 0 GFADRO O=S(=O)(c1cccc(Br)c1F)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000440846516 563751465 /nfs/dbraw/zinc/75/14/65/563751465.db2.gz MITCHMWWVOSIOT-CYBMUJFWSA-N 1 0 391.306 2.741 20 0 GFADRO Cc1ccc(NC(=O)C(=O)NCCC[NH+]2CCC(C)CC2)c(Br)c1 ZINC000049298723 551158700 /nfs/dbraw/zinc/15/87/00/551158700.db2.gz TTZPTRNZGKHNRO-UHFFFAOYSA-N 1 0 396.329 2.934 20 0 GFADRO CN1CCC([NH+]2CCC(NC(=O)c3cc(Br)ccc3F)CC2)CC1 ZINC000050803160 551161396 /nfs/dbraw/zinc/16/13/96/551161396.db2.gz SOXNVTFVMVDPOQ-UHFFFAOYSA-N 1 0 398.320 2.877 20 0 GFADRO Cc1nn(C)c(Cl)c1S(=O)(=O)NCc1ccccc1C[N@@H+](C)C(C)C ZINC000055241461 551171569 /nfs/dbraw/zinc/17/15/69/551171569.db2.gz URUKWGVRFQHQAI-UHFFFAOYSA-N 1 0 384.933 2.701 20 0 GFADRO Cc1cc(F)c(Br)cc1S(=O)(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000440861005 563752364 /nfs/dbraw/zinc/75/23/64/563752364.db2.gz PWBAKIOGZJUACH-CQSZACIVSA-N 1 0 379.295 2.565 20 0 GFADRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)Nc1ccccc1Br ZINC000067439513 551188674 /nfs/dbraw/zinc/18/86/74/551188674.db2.gz YASAQBGUUVCOLP-HZSPNIEDSA-N 1 0 396.329 2.870 20 0 GFADRO CN1CC[NH+](CC2CCN(C(=O)c3ccc(Br)c(F)c3)CC2)CC1 ZINC000067614362 551190112 /nfs/dbraw/zinc/19/01/12/551190112.db2.gz WRFTWPOLAOCFEA-UHFFFAOYSA-N 1 0 398.320 2.688 20 0 GFADRO CC[NH+]1CCN(CCC(=O)NCc2ccc(Br)cc2Cl)CC1 ZINC000101659069 551197336 /nfs/dbraw/zinc/19/73/36/551197336.db2.gz UXANONJPQMFPFP-UHFFFAOYSA-N 1 0 388.737 2.746 20 0 GFADRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cc(=O)c2cc(Br)ccc2[nH]1 ZINC000112638434 551206417 /nfs/dbraw/zinc/20/64/17/551206417.db2.gz NAJJVBPODPEBOS-CYBMUJFWSA-N 1 0 392.297 2.895 20 0 GFADRO COC(=O)[C@@H](C)C[N@H+](C)[C@@H](C)C(=O)N(C)Cc1ccc(Br)cc1 ZINC000114062986 551208579 /nfs/dbraw/zinc/20/85/79/551208579.db2.gz IIRYETZFMIOQHO-STQMWFEESA-N 1 0 385.302 2.537 20 0 GFADRO CN(C)CC[NH+]1CCC(CNC(=O)c2csc(-c3cccs3)n2)CC1 ZINC000114142847 551209221 /nfs/dbraw/zinc/20/92/21/551209221.db2.gz RVAJROZHMXADMI-UHFFFAOYSA-N 1 0 378.567 2.875 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1cc(Br)c2c(c1)OCCO2 ZINC000116347405 551212860 /nfs/dbraw/zinc/21/28/60/551212860.db2.gz ITUKPKBSEOWXMX-GFCCVEGCSA-N 1 0 383.286 2.825 20 0 GFADRO Cc1cccc(NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)c1Br ZINC000121016728 551225412 /nfs/dbraw/zinc/22/54/12/551225412.db2.gz KJXVLBFEDNBCND-ZDUSSCGKSA-N 1 0 394.313 2.829 20 0 GFADRO C[C@@H](NC(=O)N(C)CC[NH+](C)C)c1nc(-c2ccc(Br)cc2)no1 ZINC000121180021 551229081 /nfs/dbraw/zinc/22/90/81/551229081.db2.gz KNKMBBXSBSRWQG-LLVKDONJSA-N 1 0 396.289 2.763 20 0 GFADRO O=C(C1CC1)N1CCC[N@@H+](C[C@@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000121245812 551230847 /nfs/dbraw/zinc/23/08/47/551230847.db2.gz AEEYVICDJAIATB-OAHLLOKOSA-N 1 0 387.307 2.677 20 0 GFADRO CC[N@@H+]1CC[C@H](CNC(=O)c2cnn(-c3ccc(Br)cc3)c2)C1 ZINC000121328986 551232239 /nfs/dbraw/zinc/23/22/39/551232239.db2.gz NGKHDIRMCIAQCP-CYBMUJFWSA-N 1 0 377.286 2.706 20 0 GFADRO C[NH2+]CCCNC(=O)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000121580099 551237633 /nfs/dbraw/zinc/23/76/33/551237633.db2.gz AFKSEZILQBFHFK-UHFFFAOYSA-N 1 0 378.826 2.696 20 0 GFADRO Brc1ccc(CNC[C@@H]2C[NH2+]CCCO2)cc1Br ZINC000415035408 563757027 /nfs/dbraw/zinc/75/70/27/563757027.db2.gz IVJSBWCMHMDONM-NSHDSACASA-N 1 0 378.108 2.680 20 0 GFADRO CC(C)c1cc(Br)ccc1NC(=O)C(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000121879758 551244802 /nfs/dbraw/zinc/24/48/02/551244802.db2.gz CXSOBKSYXQFGMX-ZDUSSCGKSA-N 1 0 396.329 2.921 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)CSc1nnc(-c2ccc(Cl)cc2)o1)C1CC1 ZINC000122374779 551297026 /nfs/dbraw/zinc/29/70/26/551297026.db2.gz BFZGWZBZXHQIFO-CQSZACIVSA-N 1 0 380.901 2.939 20 0 GFADRO Cc1sc(Br)cc1S(=O)(=O)NC1CC[NH+](C2CC2)CC1 ZINC000122407562 551297638 /nfs/dbraw/zinc/29/76/38/551297638.db2.gz FLLKXGYYHRIODV-UHFFFAOYSA-N 1 0 379.345 2.724 20 0 GFADRO C[NH+](C)CCOc1ccccc1CNC(=O)c1cncc(Br)c1 ZINC000122786084 551302072 /nfs/dbraw/zinc/30/20/72/551302072.db2.gz ZAFHXZZCTDDWDC-UHFFFAOYSA-N 1 0 378.270 2.715 20 0 GFADRO C[C@@H]1CC[C@H](C)[N@H+]1CCC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1Cl ZINC000123062266 551302583 /nfs/dbraw/zinc/30/25/83/551302583.db2.gz CZJMULDLNVYQFL-BETUJISGSA-N 1 0 387.933 2.792 20 0 GFADRO Cc1ccc(C[NH2+]CCNS(=O)(=O)c2cccs2)cc1Br ZINC000123300588 551304811 /nfs/dbraw/zinc/30/48/11/551304811.db2.gz DGHSYOHSWPMCDN-UHFFFAOYSA-N 1 0 389.340 2.887 20 0 GFADRO NS(=O)(=O)c1ccc(Cl)c(NC(=O)C[N@@H+]2CCC[C@H]2C2CCCC2)c1 ZINC000123606829 551307393 /nfs/dbraw/zinc/30/73/93/551307393.db2.gz VANQJYFRRWLUAS-INIZCTEOSA-N 1 0 385.917 2.581 20 0 GFADRO Cc1cc(S(=O)(=O)N2C[C@H]([NH3+])Cc3ccccc32)sc1Br ZINC000123640501 551307857 /nfs/dbraw/zinc/30/78/57/551307857.db2.gz DIBDDUGAWINGHW-LLVKDONJSA-N 1 0 387.324 2.898 20 0 GFADRO CN(CC[NH+]1CCCC1)C(=O)C(=O)Nc1ccc(Br)c(Cl)c1 ZINC000124301653 551312808 /nfs/dbraw/zinc/31/28/08/551312808.db2.gz SIEJYGGKLZLWLE-UHFFFAOYSA-N 1 0 388.693 2.595 20 0 GFADRO O=C([C@H]1CCC[N@H+](Cc2cnc(-c3ccsc3)s2)C1)N1CCOCC1 ZINC000124474352 551315284 /nfs/dbraw/zinc/31/52/84/551315284.db2.gz FQTLSZBUGDZWHP-AWEZNQCLSA-N 1 0 377.535 2.942 20 0 GFADRO O=C1C[C@@H]([C@@H]2CCCC[N@H+]2Cc2cc3c(cc2Br)OCCO3)CN1 ZINC000125142680 551319928 /nfs/dbraw/zinc/31/99/28/551319928.db2.gz FUDAPDAVMMIJDC-DOMZBBRYSA-N 1 0 395.297 2.711 20 0 GFADRO O=C1C[C@@H]([C@@H]2CCCC[N@H+]2Cc2cc3c(c(Br)c2)OCO3)CN1 ZINC000125760207 551324332 /nfs/dbraw/zinc/32/43/32/551324332.db2.gz HIBRRLQLRGPXDD-OCCSQVGLSA-N 1 0 381.270 2.668 20 0 GFADRO Cc1nccn1-c1ccc(C[NH2+][C@H](C)Cn2cc(Br)cn2)cn1 ZINC000126392899 551329160 /nfs/dbraw/zinc/32/91/60/551329160.db2.gz WDWDCINQYGVWBX-GFCCVEGCSA-N 1 0 375.274 2.713 20 0 GFADRO C[C@H](CNC(=O)C(=O)Nc1ccc(C(F)(F)F)cc1Cl)[N@H+](C)C1CC1 ZINC000126470500 551330442 /nfs/dbraw/zinc/33/04/42/551330442.db2.gz ONALEGNZGDDKEX-SECBINFHSA-N 1 0 377.794 2.896 20 0 GFADRO COC[C@H](O)C[NH+]1CCN(c2ccc(Br)cc2C(F)(F)F)CC1 ZINC000126555706 551331229 /nfs/dbraw/zinc/33/12/29/551331229.db2.gz NFUPFBPZILLMDX-GFCCVEGCSA-N 1 0 397.235 2.597 20 0 GFADRO Cc1cscc1NC(=O)C(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000126579736 551331567 /nfs/dbraw/zinc/33/15/67/551331567.db2.gz HMSFTWUHHCRKFN-UHFFFAOYSA-N 1 0 381.567 2.863 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)N2CCN(Cc3ccc(Cl)s3)CC2)C[N@@H+]1C1CC1 ZINC000127627895 551342347 /nfs/dbraw/zinc/34/23/47/551342347.db2.gz DNUGHSPUOGXTEM-KGLIPLIRSA-N 1 0 382.961 2.854 20 0 GFADRO O=S(=O)(NCCNCc1cc(F)c(F)cc1F)c1ccc(Cl)s1 ZINC000127780240 551345115 /nfs/dbraw/zinc/34/51/15/551345115.db2.gz SCCAOHBYCJPIBU-UHFFFAOYSA-N 1 0 384.832 2.887 20 0 GFADRO Cc1nc(NC(=O)NCCCC[N@@H+]2CCC[C@@H]2CO)ccc1Br ZINC000128772171 551352484 /nfs/dbraw/zinc/35/24/84/551352484.db2.gz GPMJKSYTRRDEIR-CYBMUJFWSA-N 1 0 385.306 2.511 20 0 GFADRO COc1ccc(CN2CC[C@@H](C[NH+]3CCOCC3)C2)c(Br)c1OC ZINC000129247926 551355019 /nfs/dbraw/zinc/35/50/19/551355019.db2.gz BXZPCZDPAIZJEN-AWEZNQCLSA-N 1 0 399.329 2.620 20 0 GFADRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)Cc1cc(Br)ccc1F ZINC000129351886 551356322 /nfs/dbraw/zinc/35/63/22/551356322.db2.gz LUHPSXDFAYTQGN-OAHLLOKOSA-N 1 0 387.293 2.700 20 0 GFADRO C[C@H](C(=O)N1CCCC1)N1CCN(Cc2cc(F)ccc2Br)CC1 ZINC000130372461 551364500 /nfs/dbraw/zinc/36/45/00/551364500.db2.gz IHDJRDRFPKPWEJ-CQSZACIVSA-N 1 0 398.320 2.717 20 0 GFADRO Cc1sc(C(=O)NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)cc1CS(C)(=O)=O ZINC000130388213 551364522 /nfs/dbraw/zinc/36/45/22/551364522.db2.gz PEHHHMCUYHASJR-ACJLOTCBSA-N 1 0 386.583 2.841 20 0 GFADRO Cc1nccn1CCC[N@@H+](C)CC(=O)N(C)Cc1cc(Br)cs1 ZINC000130934313 551370290 /nfs/dbraw/zinc/37/02/90/551370290.db2.gz INFZLUGMSDANGM-UHFFFAOYSA-N 1 0 399.358 2.996 20 0 GFADRO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(Cc2ccc(F)c(Br)c2)CC1 ZINC000131310365 551374074 /nfs/dbraw/zinc/37/40/74/551374074.db2.gz NKTIZPSHERINPV-MRXNPFEDSA-N 1 0 384.293 2.502 20 0 GFADRO CC[C@@H](c1ccc(Br)cc1)[NH+]1CCC2(CC1)NC(=O)N(C)C2=O ZINC000131536320 551375078 /nfs/dbraw/zinc/37/50/78/551375078.db2.gz LLIUXTMCHNOSRY-AWEZNQCLSA-N 1 0 380.286 2.916 20 0 GFADRO OCC[C@@]1(C[NH2+]Cc2nc(-c3ccc(Br)cc3)c[nH]2)CCOC1 ZINC000134437974 551385766 /nfs/dbraw/zinc/38/57/66/551385766.db2.gz LFEKLICFTSYGBU-KRWDZBQOSA-N 1 0 380.286 2.718 20 0 GFADRO O=C(c1cnn(-c2ccc(Br)cc2)c1)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000141496022 551394247 /nfs/dbraw/zinc/39/42/47/551394247.db2.gz PKUCVMZQTLWDHD-QGZVFWFLSA-N 1 0 389.297 2.945 20 0 GFADRO C[C@H](C(=O)NCc1cccs1)N1CCC(NC(=O)c2cccs2)CC1 ZINC000143537938 551395538 /nfs/dbraw/zinc/39/55/38/551395538.db2.gz WXMJZLDPQHMQJI-CYBMUJFWSA-N 1 0 377.535 2.709 20 0 GFADRO O=C(CN1CC[C@H](C[NH+]2CCCC2)C1)Nc1ccc(Br)cc1F ZINC000150860010 551402389 /nfs/dbraw/zinc/40/23/89/551402389.db2.gz WFSLTNCTWGPLAE-CYBMUJFWSA-N 1 0 384.293 2.944 20 0 GFADRO CSCC[C@H]([NH3+])C(=O)N(C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000150947339 551404377 /nfs/dbraw/zinc/40/43/77/551404377.db2.gz ZBTLQMFILGHIDN-LBPRGKRZSA-N 1 0 397.850 2.836 20 0 GFADRO CN(C(=O)CSc1nncn1-c1cccc(Cl)c1)[C@@H]1CCC[N@H+](C)C1 ZINC000151104702 551407369 /nfs/dbraw/zinc/40/73/69/551407369.db2.gz GKQQSSVZJUPPAJ-OAHLLOKOSA-N 1 0 379.917 2.565 20 0 GFADRO O=S(=O)(C1CC1)N1CCC([NH2+]Cc2cc(Br)cs2)CC1 ZINC000151264234 551410127 /nfs/dbraw/zinc/41/01/27/551410127.db2.gz AVFHLFSDTNFYFY-UHFFFAOYSA-N 1 0 379.345 2.557 20 0 GFADRO Cn1cc(Br)cc1C[N@H+](C)CCC(=O)NC(=O)Nc1ccccc1 ZINC000151539557 551415779 /nfs/dbraw/zinc/41/57/79/551415779.db2.gz ZYNBOYKDDLTYQU-UHFFFAOYSA-N 1 0 393.285 2.958 20 0 GFADRO Cc1ccc(S(=O)(=O)N2CC[C@H](C[NH+]3CCCC3)C2)c(Br)c1 ZINC000151643790 551418631 /nfs/dbraw/zinc/41/86/31/551418631.db2.gz QVAZWQMGYXZDDC-CQSZACIVSA-N 1 0 387.343 2.864 20 0 GFADRO C[C@@H]1C[N@@H+](CC2CCN(C(=O)c3ccncc3Br)CC2)C[C@H](C)O1 ZINC000151688981 551419344 /nfs/dbraw/zinc/41/93/44/551419344.db2.gz NJJRHDWVTGXPEB-OKILXGFUSA-N 1 0 396.329 2.806 20 0 GFADRO CC(C)Oc1ccc(Br)cc1NC(=O)NC[C@H]1CN(C)CCO1 ZINC000151730078 551419886 /nfs/dbraw/zinc/41/98/86/551419886.db2.gz PMSHLTQRAWCBPC-ZDUSSCGKSA-N 1 0 386.290 2.688 20 0 GFADRO CNC(=O)CN1CCC([NH2+][C@@H](C)[C@H](C)Oc2ccc(Cl)cc2Cl)CC1 ZINC000151991181 551424167 /nfs/dbraw/zinc/42/41/67/551424167.db2.gz XRWVZWHAIOULHX-STQMWFEESA-N 1 0 388.339 2.949 20 0 GFADRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2S(=O)(=O)c2ccc(OC(F)(F)F)cc2)C1 ZINC000152875749 551441746 /nfs/dbraw/zinc/44/17/46/551441746.db2.gz CEJWJINJLKYKFU-IUODEOHRSA-N 1 0 378.416 2.690 20 0 GFADRO Cc1cc(SCC(=O)NC[C@](C)(O)C[NH+](C)C)c(C)cc1Br ZINC000153115814 551446539 /nfs/dbraw/zinc/44/65/39/551446539.db2.gz TXAJUKHZCOVJRL-INIZCTEOSA-N 1 0 389.359 2.587 20 0 GFADRO C[C@@H]1CN(C(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)C[C@@H](C)[NH2+]1 ZINC000153223883 551448454 /nfs/dbraw/zinc/44/84/54/551448454.db2.gz WCYAIZKBDZNIQD-HSMVNMDESA-N 1 0 384.307 2.807 20 0 GFADRO COC[C@H](O)CC[NH2+]Cc1c(C)nn(-c2ccc(Br)cc2)c1C ZINC000153782717 551460387 /nfs/dbraw/zinc/46/03/87/551460387.db2.gz QJGFWKJCJRAFSD-MRXNPFEDSA-N 1 0 382.302 2.739 20 0 GFADRO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)Nc2cc(C)ccc2Br)C1 ZINC000153964963 551464217 /nfs/dbraw/zinc/46/42/17/551464217.db2.gz VLSFDWUERNFUIR-CYBMUJFWSA-N 1 0 382.302 2.639 20 0 GFADRO C[C@H](CNC(=O)c1c(F)cccc1I)[N@H+](C)C1CC1 ZINC000154106310 551467780 /nfs/dbraw/zinc/46/77/80/551467780.db2.gz HWRUIDRORMUVMB-SECBINFHSA-N 1 0 376.213 2.643 20 0 GFADRO CN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc2cc(Br)ccc2c1 ZINC000154850884 551484227 /nfs/dbraw/zinc/48/42/27/551484227.db2.gz NRKWPEJLHXMCBC-UHFFFAOYSA-N 1 0 378.270 2.561 20 0 GFADRO Cc1sc(Br)cc1S(=O)(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000155281447 551496146 /nfs/dbraw/zinc/49/61/46/551496146.db2.gz NMZVMUICYXSYLW-MWLCHTKSSA-N 1 0 381.361 2.922 20 0 GFADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1c[nH]c2cccc(Br)c12 ZINC000155576668 551503017 /nfs/dbraw/zinc/50/30/17/551503017.db2.gz OYBZXRHGWIWQEP-GFCCVEGCSA-N 1 0 380.286 2.771 20 0 GFADRO C[C@@H](CNC(=O)C(=O)Nc1ccc(Cl)c(Br)c1)[N@H+](C)C1CC1 ZINC000155604481 551503539 /nfs/dbraw/zinc/50/35/39/551503539.db2.gz LCJWTCQRYRIONY-VIFPVBQESA-N 1 0 388.693 2.640 20 0 GFADRO C[C@H]1C[C@H](NC(=O)Cc2cccc(I)c2)C[N@@H+]1C1CC1 ZINC000155857399 551509072 /nfs/dbraw/zinc/50/90/72/551509072.db2.gz CACKLCRFWAWTLC-FZMZJTMJSA-N 1 0 384.261 2.575 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)Cc2cccc(I)c2)C[N@@H+]1C1CC1 ZINC000155857281 551509091 /nfs/dbraw/zinc/50/90/91/551509091.db2.gz CACKLCRFWAWTLC-RISCZKNCSA-N 1 0 384.261 2.575 20 0 GFADRO Cc1c(I)cccc1C(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000155868492 551509728 /nfs/dbraw/zinc/50/97/28/551509728.db2.gz JGNLOAQXKZNYJY-PWSUYJOCSA-N 1 0 384.261 2.955 20 0 GFADRO COCC[N@H+](C)CCNC(=O)c1ccc(Sc2ccccc2Cl)nn1 ZINC000156037949 551513381 /nfs/dbraw/zinc/51/33/81/551513381.db2.gz VRVHDTGUBHCVHU-UHFFFAOYSA-N 1 0 380.901 2.589 20 0 GFADRO COCCC[N@H+](C)CCNC(=O)Cc1c[nH]c2cccc(Br)c12 ZINC000156260460 551518525 /nfs/dbraw/zinc/51/85/25/551518525.db2.gz DAEFFQWYMYIYIK-UHFFFAOYSA-N 1 0 382.302 2.557 20 0 GFADRO C[C@@H]1CCCN(C(=O)c2cnn(-c3cccc(Br)c3)c2)[C@@H]1C[NH3+] ZINC000156668387 551526784 /nfs/dbraw/zinc/52/67/84/551526784.db2.gz IHEXPGSUPVOUJT-MLGOLLRUSA-N 1 0 377.286 2.834 20 0 GFADRO CCS(=O)(=O)N(C)CCC[NH2+][C@H](C)c1ccc(F)c(Br)c1 ZINC000156880870 551530236 /nfs/dbraw/zinc/53/02/36/551530236.db2.gz IGYSBSCRRKUWQO-LLVKDONJSA-N 1 0 381.311 2.910 20 0 GFADRO COC(=O)C[C@@H]1CSCC[N@@H+]1C[C@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC000157017204 551531887 /nfs/dbraw/zinc/53/18/87/551531887.db2.gz FPIDIGGWXWPVGW-HUUCEWRRSA-N 1 0 377.428 2.589 20 0 GFADRO O=C(C[C@H]1CCC[NH2+]1)NCCSCCOc1cccc(Br)c1 ZINC000157280891 551536068 /nfs/dbraw/zinc/53/60/68/551536068.db2.gz FDVPKLNZZKGKAU-CQSZACIVSA-N 1 0 387.343 2.819 20 0 GFADRO CNS(=O)(=O)c1cccc([C@H](C)[NH2+]C[C@](C)(O)c2ccccc2Cl)c1 ZINC000157610828 551540376 /nfs/dbraw/zinc/54/03/76/551540376.db2.gz ZSLCYTLIARJLGK-UGSOOPFHSA-N 1 0 382.913 2.806 20 0 GFADRO O=C(NCC1(c2ccc(Br)cc2)CCOCC1)C1CC[NH2+]CC1 ZINC000157713505 551541524 /nfs/dbraw/zinc/54/15/24/551541524.db2.gz NRJUXRTUMPUVEY-UHFFFAOYSA-N 1 0 381.314 2.613 20 0 GFADRO [NH3+]C[C@H]1CCC[C@H]1NC(=O)c1ccc(I)cc1Cl ZINC000157743720 551542135 /nfs/dbraw/zinc/54/21/35/551542135.db2.gz NJXIJPHBEAHWQS-PRHODGIISA-N 1 0 378.641 2.802 20 0 GFADRO CCOCCO[C@H]1CCN([C@H](C)C(=O)Nc2ccccc2Br)C1 ZINC000157753533 551542173 /nfs/dbraw/zinc/54/21/73/551542173.db2.gz QFBDPHNOMSJWIG-KGLIPLIRSA-N 1 0 385.302 2.904 20 0 GFADRO [NH3+]C[C@H]1CCC[C@@H]1NC(=O)c1ccc(I)cc1Cl ZINC000157743879 551542400 /nfs/dbraw/zinc/54/24/00/551542400.db2.gz NJXIJPHBEAHWQS-PELKAZGASA-N 1 0 378.641 2.802 20 0 GFADRO [NH3+][C@@H]1CCCN(C(=O)c2cccc(NC(=O)c3ccc(Br)o3)c2)C1 ZINC000157841860 551543330 /nfs/dbraw/zinc/54/33/30/551543330.db2.gz LTSOTKJWCGQCHT-GFCCVEGCSA-N 1 0 392.253 2.858 20 0 GFADRO [NH3+][C@H]1CCCN(C(=O)[C@@H]2CCCN2c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000158201464 551548390 /nfs/dbraw/zinc/54/83/90/551548390.db2.gz HEBSWURHIHJKFP-AAEUAGOBSA-N 1 0 376.810 2.672 20 0 GFADRO O=C(CCC[S@](=O)c1ccc(Br)cc1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000158524698 551552666 /nfs/dbraw/zinc/55/26/66/551552666.db2.gz CDGNPPHXIVYKBG-GAJHUEQPSA-N 1 0 399.354 2.549 20 0 GFADRO [NH3+][C@H]1CCCN(C(=O)c2nn(-c3cccc(Br)c3)c3c2CCC3)C1 ZINC000158599127 551554441 /nfs/dbraw/zinc/55/44/41/551554441.db2.gz RNXIYVXEWXUFRK-ZDUSSCGKSA-N 1 0 389.297 2.687 20 0 GFADRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(F)cc1I ZINC000158666945 551554866 /nfs/dbraw/zinc/55/48/66/551554866.db2.gz ISSMAOQTAIGTQN-ZANVPECISA-N 1 0 376.213 2.678 20 0 GFADRO C[C@@H](Cn1cc(Br)cn1)[NH2+]C[C@H]1CN(Cc2ccccc2)CCO1 ZINC000158705362 551555629 /nfs/dbraw/zinc/55/56/29/551555629.db2.gz BGRUNOJWPWKQMY-YJBOKZPZSA-N 1 0 393.329 2.525 20 0 GFADRO COC(=O)c1cc(Cl)ccc1S(=O)(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000158739571 551556041 /nfs/dbraw/zinc/55/60/41/551556041.db2.gz VUPIRWGIQRNUBC-ZDUSSCGKSA-N 1 0 388.917 2.527 20 0 GFADRO CC[NH+]1CCN([C@H](C)CNC(=O)[C@@H](C)c2ccc(Br)cc2)CC1 ZINC000158885939 551557949 /nfs/dbraw/zinc/55/79/49/551557949.db2.gz UCDBNMHNKBFZAQ-CABCVRRESA-N 1 0 382.346 2.695 20 0 GFADRO COC(=O)c1cc(Cl)ccc1S(=O)(=O)NCCC[NH+](C(C)C)C(C)C ZINC000158927732 551558760 /nfs/dbraw/zinc/55/87/60/551558760.db2.gz JNOUPYZSMDXUMS-UHFFFAOYSA-N 1 0 390.933 2.914 20 0 GFADRO O=C(c1cc(Cl)ccc1I)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000159002132 551559911 /nfs/dbraw/zinc/55/99/11/551559911.db2.gz MUSNSTMYEDGQNO-AWEZNQCLSA-N 1 0 390.652 2.770 20 0 GFADRO O=C(CCNc1ncc(C(F)(F)F)cc1Cl)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000159205624 551562095 /nfs/dbraw/zinc/56/20/95/551562095.db2.gz GKTXSMZAHFLUSV-HNNXBMFYSA-N 1 0 376.810 2.768 20 0 GFADRO C[N@H+](CCO)C1CCN(C(=O)N[C@@H]2CCSc3ccc(Cl)cc32)CC1 ZINC000161532732 551595499 /nfs/dbraw/zinc/59/54/99/551595499.db2.gz VSBPNYROMPHGKX-MRXNPFEDSA-N 1 0 383.945 2.975 20 0 GFADRO CC(C)[C@H]([NH3+])CCN(C)C(=O)[C@H]1CSCN1C(=O)c1ccc(Cl)cc1 ZINC000162027885 551602240 /nfs/dbraw/zinc/60/22/40/551602240.db2.gz BZUWCKRBCRKWAH-HZPDHXFCSA-N 1 0 383.945 2.687 20 0 GFADRO Cc1cc(I)ccc1NC(=O)C[NH2+][C@@H](C)[C@H]1CCOC1 ZINC000162868542 551613612 /nfs/dbraw/zinc/61/36/12/551613612.db2.gz ILUOVKFVIUYTCM-RYUDHWBXSA-N 1 0 388.249 2.553 20 0 GFADRO Cc1c(C[NH2+]Cc2ccc(Br)cc2N2CCOCC2)cnn1C ZINC000163346012 551618951 /nfs/dbraw/zinc/61/89/51/551618951.db2.gz OXJPZCYQQFJWJI-UHFFFAOYSA-N 1 0 379.302 2.617 20 0 GFADRO COCCN1CCC[C@H]1C[NH2+][C@H](C)CC(=O)Nc1ccc(Br)cc1 ZINC000163426083 551619648 /nfs/dbraw/zinc/61/96/48/551619648.db2.gz OAJBGIKLOMYRBX-PBHICJAKSA-N 1 0 398.345 2.867 20 0 GFADRO CCC[N@@H+]1CC[C@@H](CNC(=O)N[C@@H](CO)c2cccc(Br)c2)C1 ZINC000164918070 551627608 /nfs/dbraw/zinc/62/76/08/551627608.db2.gz VKKUARMRJFBFHP-BBRMVZONSA-N 1 0 384.318 2.514 20 0 GFADRO CC(C)OCCC[NH+]1CCN(CC(=O)Nc2ccc(Br)cc2)CC1 ZINC000165198652 551628826 /nfs/dbraw/zinc/62/88/26/551628826.db2.gz WDFPTYRGYKXWBV-UHFFFAOYSA-N 1 0 398.345 2.820 20 0 GFADRO C[C@@H](Cn1cc(Br)cn1)[NH2+]CCc1cccc(C(=O)N(C)C)c1 ZINC000165127286 551628924 /nfs/dbraw/zinc/62/89/24/551628924.db2.gz AMIOEVHPAHKCAO-ZDUSSCGKSA-N 1 0 379.302 2.568 20 0 GFADRO C[C@@H](NC(=O)N1CC[C@@H]([NH+](C)C)C1)c1cc2c(cc1Br)OCCO2 ZINC000170832509 551641197 /nfs/dbraw/zinc/64/11/97/551641197.db2.gz ISUMUIZMIAITTR-VXGBXAGGSA-N 1 0 398.301 2.627 20 0 GFADRO O=C(NCCC[NH+]1CCCC1)c1ccc(I)c(F)c1 ZINC000170918087 551643046 /nfs/dbraw/zinc/64/30/46/551643046.db2.gz XNPKNICNBVGCFA-UHFFFAOYSA-N 1 0 376.213 2.646 20 0 GFADRO Cc1c(Br)cccc1NC(=O)C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000171221346 551650211 /nfs/dbraw/zinc/65/02/11/551650211.db2.gz DLMXNPHCKTURLR-UHFFFAOYSA-N 1 0 396.329 2.934 20 0 GFADRO O=C(CN1CCC(C[NH+]2CCCC2)CC1)Nc1ccc(Br)cn1 ZINC000171387816 551654693 /nfs/dbraw/zinc/65/46/93/551654693.db2.gz JICSHTJUSPMWDR-UHFFFAOYSA-N 1 0 381.318 2.590 20 0 GFADRO COc1ccc(OCC[NH2+][C@H](C(N)=O)c2ccc(Br)cc2)cc1 ZINC000171758236 551662690 /nfs/dbraw/zinc/66/26/90/551662690.db2.gz MTAWNMYBYZWHMB-INIZCTEOSA-N 1 0 379.254 2.653 20 0 GFADRO Cc1cc(Br)cc(Cl)c1NC(=O)C(=O)NCC[NH+]1CCCC1 ZINC000172303855 551675348 /nfs/dbraw/zinc/67/53/48/551675348.db2.gz CPSLKXSJOOCTOX-UHFFFAOYSA-N 1 0 388.693 2.561 20 0 GFADRO O=C(CCCOc1cccc(Br)c1)NCCC[NH+]1CCC(O)CC1 ZINC000172312982 551676156 /nfs/dbraw/zinc/67/61/56/551676156.db2.gz KSDCQLWUXJLJIQ-UHFFFAOYSA-N 1 0 399.329 2.571 20 0 GFADRO O=S(=O)(NC1CC[NH+](CC2CC2)CC1)c1ccc(F)c(Br)c1 ZINC000173194702 552079263 /nfs/dbraw/zinc/07/92/63/552079263.db2.gz SHMULDOLTWUXRZ-UHFFFAOYSA-N 1 0 391.306 2.741 20 0 GFADRO C[NH+]1CCN(c2ccc(NC(=O)c3ccc(F)c(Br)c3)cn2)CC1 ZINC000173237542 552080590 /nfs/dbraw/zinc/08/05/90/552080590.db2.gz YBNRDTIEHMLLGM-UHFFFAOYSA-N 1 0 393.260 2.987 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2ccc(Br)s2)[C@H](C)C1 ZINC000173255110 552081119 /nfs/dbraw/zinc/08/11/19/552081119.db2.gz TZHFVDLYBYDSSO-GHMZBOCLSA-N 1 0 381.361 2.861 20 0 GFADRO CN(Cc1cc(Br)ccc1F)[C@H]1CCCN(c2ccn(C)n2)C1=O ZINC000173260847 552081677 /nfs/dbraw/zinc/08/16/77/552081677.db2.gz FLSJNBFVJOILJF-HNNXBMFYSA-N 1 0 395.276 2.949 20 0 GFADRO CC[C@@](C)([NH2+]CCOc1ccc(S(=O)(=O)N(C)C)cc1)c1nccs1 ZINC000173506899 552087060 /nfs/dbraw/zinc/08/70/60/552087060.db2.gz KQJUQDRLJUIAMQ-QGZVFWFLSA-N 1 0 383.539 2.687 20 0 GFADRO C[C@H](C(=O)NCCC[NH+]1CCC(O)CC1)c1ccc(Br)s1 ZINC000173584635 552088999 /nfs/dbraw/zinc/08/89/99/552088999.db2.gz OHXVFIBGQULOHV-NSHDSACASA-N 1 0 375.332 2.577 20 0 GFADRO CC(C)(O)C[NH+]1CCN(Cc2ncc(-c3cccc(Br)c3)o2)CC1 ZINC000173637920 552089822 /nfs/dbraw/zinc/08/98/22/552089822.db2.gz GDULNSSGDUJIEB-UHFFFAOYSA-N 1 0 394.313 2.993 20 0 GFADRO Cc1ccc(S(=O)(=O)N2CCC(OCC[NH+]3CCCC3)CC2)cc1Cl ZINC000173853764 552094415 /nfs/dbraw/zinc/09/44/15/552094415.db2.gz RRFBCBIIZOMBHL-UHFFFAOYSA-N 1 0 386.945 2.914 20 0 GFADRO CCC[N@H+](C)C[C@H]1CCN(S(=O)(=O)c2ccc(F)cc2Br)C1 ZINC000173950134 552095752 /nfs/dbraw/zinc/09/57/52/552095752.db2.gz DCCFSGPFRXMZEF-GFCCVEGCSA-N 1 0 393.322 2.941 20 0 GFADRO O=C(CC[N@@H+]1CCC[C@@H]1CN1CCOCC1)Nc1ccc(Br)cc1 ZINC000174026279 552096861 /nfs/dbraw/zinc/09/68/61/552096861.db2.gz SBXHBQDVOQLYKH-QGZVFWFLSA-N 1 0 396.329 2.574 20 0 GFADRO COCCOC[C@@H]1CC[N@H+](Cc2nnc(-c3ccccc3Br)o2)C1 ZINC000174114039 552099390 /nfs/dbraw/zinc/09/93/90/552099390.db2.gz CRVBNZOWZUPMNS-CYBMUJFWSA-N 1 0 396.285 2.984 20 0 GFADRO COCCC[N@H+](C)CCNCc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000174524888 552105837 /nfs/dbraw/zinc/10/58/37/552105837.db2.gz AVEYSKUZMCNLBH-UHFFFAOYSA-N 1 0 381.318 2.897 20 0 GFADRO C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000174698212 552108548 /nfs/dbraw/zinc/10/85/48/552108548.db2.gz MDUUMNWTBZKPSM-UPJWGTAASA-N 1 0 384.307 2.807 20 0 GFADRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)NCCc1ccc(Br)cc1 ZINC000175029102 552114122 /nfs/dbraw/zinc/11/41/22/552114122.db2.gz LTHUTPHSKMLXPB-QGZVFWFLSA-N 1 0 398.345 2.744 20 0 GFADRO C[NH+](C)[C@H]1CCC[C@H](NS(=O)(=O)c2ccc(F)cc2Br)C1 ZINC000175085327 552115364 /nfs/dbraw/zinc/11/53/64/552115364.db2.gz DEOWOILWCJZOAD-RYUDHWBXSA-N 1 0 379.295 2.739 20 0 GFADRO COCCC[N@H+](C)CCNC(=O)C(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000175243011 552118861 /nfs/dbraw/zinc/11/88/61/552118861.db2.gz QDCXHQVSFFKSRR-UHFFFAOYSA-N 1 0 396.702 2.670 20 0 GFADRO C[C@H](CNC(=O)c1cc(=O)[nH]c2c(Br)cccc12)C[NH+]1CCCC1 ZINC000175675003 552126913 /nfs/dbraw/zinc/12/69/13/552126913.db2.gz OSTKWCZIXFSIDV-GFCCVEGCSA-N 1 0 392.297 2.752 20 0 GFADRO COc1nc(N2CC[NH+](CCc3cccs3)CC2)ncc1Br ZINC000175869405 552131073 /nfs/dbraw/zinc/13/10/73/552131073.db2.gz NCAZBDUFGYRSGQ-UHFFFAOYSA-N 1 0 383.315 2.674 20 0 GFADRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)NCc2cc3c(c(Br)c2)OCO3)C1 ZINC000175999359 552133642 /nfs/dbraw/zinc/13/36/42/552133642.db2.gz QKAPEZJMNMPCLI-OLZOCXBDSA-N 1 0 398.301 2.850 20 0 GFADRO CC[NH+]1CCN(CCCNC(=O)c2cc(Cl)ccc2OC(F)F)CC1 ZINC000176062627 552134774 /nfs/dbraw/zinc/13/47/74/552134774.db2.gz NFPIIVTYAVVPCM-UHFFFAOYSA-N 1 0 375.847 2.699 20 0 GFADRO CN(CC[NH+](C)C)C(=O)c1ccc(NC(=O)c2ccc(Br)o2)cc1 ZINC000176377495 552139924 /nfs/dbraw/zinc/13/99/24/552139924.db2.gz XIHKUELAYYWPGE-UHFFFAOYSA-N 1 0 394.269 2.928 20 0 GFADRO C[N@@H+](Cc1ccc(Br)s1)C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000176624682 552142663 /nfs/dbraw/zinc/14/26/63/552142663.db2.gz KTTQIDMJIYKQBY-LLVKDONJSA-N 1 0 381.361 2.614 20 0 GFADRO Cc1ccc(C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)cc1Br ZINC000176869088 552147916 /nfs/dbraw/zinc/14/79/16/552147916.db2.gz KVAIDDOXSSDBLZ-AWEZNQCLSA-N 1 0 381.314 2.988 20 0 GFADRO C[N@@H+]1CCN(C(=O)c2cc(I)c[nH]2)C2(CCCCC2)C1 ZINC000176994923 552148734 /nfs/dbraw/zinc/14/87/34/552148734.db2.gz QIMOBLCEISUPQD-UHFFFAOYSA-N 1 0 387.265 2.710 20 0 GFADRO C[NH+](C)C1(CNC(=O)C[C@H](O)c2cc(Cl)cc(Cl)c2)CCOCC1 ZINC000177163005 552150771 /nfs/dbraw/zinc/15/07/71/552150771.db2.gz YURJNELAROXEIL-HNNXBMFYSA-N 1 0 375.296 2.644 20 0 GFADRO C[C@H]1C[C@H](NC(=O)c2c[nH]c(=O)c(Br)c2)C[N@@H+]1Cc1ccccc1 ZINC000177454750 552154768 /nfs/dbraw/zinc/15/47/68/552154768.db2.gz MZUMIKROXPKXAE-WFASDCNBSA-N 1 0 390.281 2.530 20 0 GFADRO O=C(N1CC[NH+](C[C@@H]2CCOC2)CC1)C1(c2ccc(Br)cc2)CC1 ZINC000178101532 552164421 /nfs/dbraw/zinc/16/44/21/552164421.db2.gz CUJHWOIBRWHJNK-HNNXBMFYSA-N 1 0 393.325 2.661 20 0 GFADRO O=C(Cc1csc(-c2cccs2)n1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000178116319 552164594 /nfs/dbraw/zinc/16/45/94/552164594.db2.gz LZHXLNCHWBQIKM-AWEZNQCLSA-N 1 0 377.535 2.595 20 0 GFADRO CC(C)(C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1)c1cccc(Br)c1 ZINC000178117505 552164747 /nfs/dbraw/zinc/16/47/47/552164747.db2.gz DTTAQCKETWSNIK-HNNXBMFYSA-N 1 0 395.341 2.907 20 0 GFADRO C[C@@H](CC(=O)NCCC[NH+]1CCC(O)CC1)c1ccc(Br)cc1 ZINC000178514455 552171808 /nfs/dbraw/zinc/17/18/08/552171808.db2.gz KEGFIEDZUSZCER-AWEZNQCLSA-N 1 0 383.330 2.906 20 0 GFADRO [NH3+]C[C@H]1CCN(C(=O)c2cccc(NC(=O)c3ccc(Br)o3)c2)C1 ZINC000178527999 552172114 /nfs/dbraw/zinc/17/21/14/552172114.db2.gz CJLSNHJCZJRYNJ-LLVKDONJSA-N 1 0 392.253 2.715 20 0 GFADRO O=C(NC[C@H]1CCC[NH2+]1)[C@@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000178776387 552174864 /nfs/dbraw/zinc/17/48/64/552174864.db2.gz DNEHGTZFTAHQSH-ZIAGYGMSSA-N 1 0 384.307 2.714 20 0 GFADRO O=C(c1cc(F)c(F)cc1Br)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000178815871 552176212 /nfs/dbraw/zinc/17/62/12/552176212.db2.gz BWYJTLCKENQVGZ-NSHDSACASA-N 1 0 389.240 2.522 20 0 GFADRO Cc1ccc(-n2nc(Br)cc2C(=O)NCC[C@@H]2CC[NH2+]C2)cc1 ZINC000178946603 552180244 /nfs/dbraw/zinc/18/02/44/552180244.db2.gz SHGLYNABPIYDSB-ZDUSSCGKSA-N 1 0 377.286 2.673 20 0 GFADRO COc1ccc(CNC(=O)CN[C@@H](C)c2ncc(Br)s2)cc1 ZINC000179216253 552187389 /nfs/dbraw/zinc/18/73/89/552187389.db2.gz AKFKBXJZBHJGSH-JTQLQIEISA-N 1 0 384.299 2.881 20 0 GFADRO CC[C@@H](CO)[NH+]1CCN(C(=O)CCCOc2ccccc2Br)CC1 ZINC000179397158 552191580 /nfs/dbraw/zinc/19/15/80/552191580.db2.gz PGNNKJAEJKQFJG-HNNXBMFYSA-N 1 0 399.329 2.523 20 0 GFADRO CS(=O)(=O)c1cc(C(=O)NCc2ccccc2C[NH+]2CCCC2)cs1 ZINC000179666525 552199531 /nfs/dbraw/zinc/19/95/31/552199531.db2.gz QSZUIZQVLZQNKU-UHFFFAOYSA-N 1 0 378.519 2.677 20 0 GFADRO CCC(CC)[C@@H](CNC(=O)C(=O)Nc1ccc(C)nc1Br)[NH+](C)C ZINC000179727644 552201388 /nfs/dbraw/zinc/20/13/88/552201388.db2.gz WCLVARBXOIAVBE-CQSZACIVSA-N 1 0 399.333 2.574 20 0 GFADRO CC[NH+](CC)CCNC(=O)C(=O)Nc1ccc(Br)c2ccccc12 ZINC000179726466 552201425 /nfs/dbraw/zinc/20/14/25/552201425.db2.gz UNQZDINLMHEJCT-UHFFFAOYSA-N 1 0 392.297 2.999 20 0 GFADRO Cc1cc(Br)ccc1CC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000180012108 552209862 /nfs/dbraw/zinc/20/98/62/552209862.db2.gz FMIKJAMJCOBXRB-KRWDZBQOSA-N 1 0 383.330 2.773 20 0 GFADRO O=C(NCC1CC[NH+](CCO)CC1)Nc1ccc(Cl)c(OC(F)F)c1 ZINC000180137503 552214109 /nfs/dbraw/zinc/21/41/09/552214109.db2.gz FEKDFPZQOZGCOV-UHFFFAOYSA-N 1 0 377.819 2.767 20 0 GFADRO C[C@H]([NH2+]CCc1nc(C(F)(F)F)cs1)c1ccc(S(N)(=O)=O)cc1 ZINC000180137678 552214423 /nfs/dbraw/zinc/21/44/23/552214423.db2.gz YEILLKJESKIVBL-VIFPVBQESA-N 1 0 379.429 2.703 20 0 GFADRO CCn1ccnc1[C@@H](NCC[C@@H](C)O)c1ccc(I)cc1 ZINC000180165553 552215485 /nfs/dbraw/zinc/21/54/85/552215485.db2.gz ATIDLBQTBXYDKK-DOMZBBRYSA-N 1 0 399.276 2.958 20 0 GFADRO O=S(=O)(CC[NH2+][C@@H](c1ccc(Cl)cc1)C1CC1)NC[C@H]1CCCCO1 ZINC000180172494 552216301 /nfs/dbraw/zinc/21/63/01/552216301.db2.gz PYOAIFJFDQBDMZ-QZTJIDSGSA-N 1 0 386.945 2.869 20 0 GFADRO O=C(c1ccncc1Br)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000180292578 552221438 /nfs/dbraw/zinc/22/14/38/552221438.db2.gz QVEJGXPLIYBRAL-UHFFFAOYSA-N 1 0 396.329 2.809 20 0 GFADRO COc1cccc(Cl)c1C[NH2+]CCOc1ccc(NS(C)(=O)=O)cc1 ZINC000180351984 552223759 /nfs/dbraw/zinc/22/37/59/552223759.db2.gz WFIBNIHRXXCUBL-UHFFFAOYSA-N 1 0 384.885 2.889 20 0 GFADRO O=C(NCCNc1cccc(Br)c1)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC000180362449 552224006 /nfs/dbraw/zinc/22/40/06/552224006.db2.gz JRACWYYODKGSSH-QGZVFWFLSA-N 1 0 396.329 2.621 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH2+]CC(=O)NCC1CC1 ZINC000180398813 552225028 /nfs/dbraw/zinc/22/50/28/552225028.db2.gz CHANMCAGKSKBLF-UHFFFAOYSA-N 1 0 391.313 2.867 20 0 GFADRO Cc1cccc(S(=O)(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)c1Cl ZINC000180450099 552226281 /nfs/dbraw/zinc/22/62/81/552226281.db2.gz YJYCGCKJGUXOPQ-HOTGVXAUSA-N 1 0 386.945 2.695 20 0 GFADRO CC(C)NS(=O)(=O)CC[NH2+][C@H]1C[C@@H](C)c2c1cccc2Br ZINC000180464334 552226811 /nfs/dbraw/zinc/22/68/11/552226811.db2.gz WRBWHISXVVKYGK-RISCZKNCSA-N 1 0 375.332 2.915 20 0 GFADRO CC(C)NS(=O)(=O)CC[NH2+][C@H]1CCCOc2cc(Br)ccc21 ZINC000180467677 552227070 /nfs/dbraw/zinc/22/70/70/552227070.db2.gz TZSYNOWLHIMCBO-AWEZNQCLSA-N 1 0 391.331 2.580 20 0 GFADRO C[C@H](CN1CCOCC1)[NH+]1CCN([C@H](C)c2ccc(Br)cc2)CC1 ZINC000180687736 552232694 /nfs/dbraw/zinc/23/26/94/552232694.db2.gz DNCKOEXAPVHWBZ-IAGOWNOFSA-N 1 0 396.373 2.848 20 0 GFADRO C[C@@H]([NH2+][C@@H]1CC(=O)N(CCN2CCOCC2)C1)c1ccc(Cl)c(Cl)c1 ZINC000181038247 552243679 /nfs/dbraw/zinc/24/36/79/552243679.db2.gz HUXGXURINAIPDZ-UKRRQHHQSA-N 1 0 386.323 2.577 20 0 GFADRO C[C@H]([NH2+][C@@H]1CC(=O)N(CCN2CCOCC2)C1)c1cccc(Cl)c1Cl ZINC000181039096 552243701 /nfs/dbraw/zinc/24/37/01/552243701.db2.gz DFRVPAJUYCIHQL-UONOGXRCSA-N 1 0 386.323 2.577 20 0 GFADRO C[N@H+](CCCCCn1cccn1)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000181068288 552245431 /nfs/dbraw/zinc/24/54/31/552245431.db2.gz BWGBSDIZSGDJMS-INIZCTEOSA-N 1 0 379.302 2.974 20 0 GFADRO COc1ccc([C@H](C)[NH2+]CC2(CS(C)(=O)=O)CC2)cc1Br ZINC000181224311 552250746 /nfs/dbraw/zinc/25/07/46/552250746.db2.gz BEYPXYMPNZBCMD-NSHDSACASA-N 1 0 376.316 2.933 20 0 GFADRO CCNC(=O)N1CC[C@@H]([NH2+][C@H](C)CC(=O)Nc2ccc(Br)cc2)C1 ZINC000181332186 552253524 /nfs/dbraw/zinc/25/35/24/552253524.db2.gz BJLDOYAAZHOIRR-IUODEOHRSA-N 1 0 397.317 2.560 20 0 GFADRO CCN1CC[NH+](C[C@H](C)CNC(=O)Nc2ccc(Br)nc2C)CC1 ZINC000181342874 552254285 /nfs/dbraw/zinc/25/42/85/552254285.db2.gz IZHMAEJPGHIPGL-CYBMUJFWSA-N 1 0 398.349 2.548 20 0 GFADRO CC[NH+](CC)[C@@H](CNC(=O)C(=O)Nc1cccnc1Br)CC(C)C ZINC000181433538 552256581 /nfs/dbraw/zinc/25/65/81/552256581.db2.gz XZJZEGARFHDEJW-CYBMUJFWSA-N 1 0 399.333 2.655 20 0 GFADRO C[C@@H](NC(=O)c1c[nH]c(=O)c(Br)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181456177 552257311 /nfs/dbraw/zinc/25/73/11/552257311.db2.gz RLIPMONFWAUORP-VXGBXAGGSA-N 1 0 382.302 2.520 20 0 GFADRO COc1ccccc1C[C@@H](C)[NH2+]CCNS(=O)(=O)c1cc(C)sc1C ZINC000181506522 552259056 /nfs/dbraw/zinc/25/90/56/552259056.db2.gz AVIVLTLBKBLSNZ-CYBMUJFWSA-N 1 0 382.551 2.873 20 0 GFADRO CCN(CCC[NH2+][C@H](C)c1ccc(OC)cc1Br)S(C)(=O)=O ZINC000181544595 552260352 /nfs/dbraw/zinc/26/03/52/552260352.db2.gz PFVVXFATQZEQHH-GFCCVEGCSA-N 1 0 393.347 2.780 20 0 GFADRO CC1(C)[C@H]([NH2+]CCNC(=O)c2ccc(Br)cc2)[C@@H]2CCCO[C@@H]21 ZINC000181548700 552260705 /nfs/dbraw/zinc/26/07/05/552260705.db2.gz TTZDVPPXUPCWOX-XHSDSOJGSA-N 1 0 381.314 2.972 20 0 GFADRO COc1ccccc1C[C@H](C)[NH2+]CCNS(=O)(=O)c1ccc(Cl)s1 ZINC000181618874 552262668 /nfs/dbraw/zinc/26/26/68/552262668.db2.gz MOCOGLLTKPZDFR-LBPRGKRZSA-N 1 0 388.942 2.909 20 0 GFADRO C[C@@H]1CCc2c(F)cccc2[C@@H]1[NH2+]C[C@H](O)CS(=O)(=O)c1cccs1 ZINC000181634720 552262923 /nfs/dbraw/zinc/26/29/23/552262923.db2.gz GPQRXXZPYIIGAO-FHSNZYRGSA-N 1 0 383.510 2.935 20 0 GFADRO CC[C@H]([NH2+]C[C@@H](O)CS(=O)(=O)c1cccs1)c1ccc2c(c1)CCO2 ZINC000181634238 552263223 /nfs/dbraw/zinc/26/32/23/552263223.db2.gz WJEUJCSIPMONJV-CVEARBPZSA-N 1 0 381.519 2.559 20 0 GFADRO CS(=O)(=O)N[C@H]1CCCN(Cc2nc(-c3c(F)cccc3F)cs2)C1 ZINC000181674076 552264642 /nfs/dbraw/zinc/26/46/42/552264642.db2.gz LFORGCFHVVCLHM-NSHDSACASA-N 1 0 387.477 2.602 20 0 GFADRO C[C@@H]([NH2+][C@H](CC(N)=O)C1CCOCC1)C(=O)Nc1cccc(Cl)c1Cl ZINC000181930919 552271159 /nfs/dbraw/zinc/27/11/59/552271159.db2.gz IMKYITVLABYSKM-QMTHXVAHSA-N 1 0 388.295 2.581 20 0 GFADRO COc1cc(Br)ccc1CCC[NH+]1CCN(c2cnn(C)c2)CC1 ZINC000181938121 552271263 /nfs/dbraw/zinc/27/12/63/552271263.db2.gz ZUZAAGFPVZCGQR-UHFFFAOYSA-N 1 0 393.329 2.946 20 0 GFADRO CC1(C)[C@H]([NH2+]C[C@H](O)COc2ccccc2Br)[C@@H]2CCCO[C@@H]21 ZINC000182022742 552273173 /nfs/dbraw/zinc/27/31/73/552273173.db2.gz FOEBGTNCDDXBEV-CLROSIBMSA-N 1 0 384.314 2.982 20 0 GFADRO NC(=O)C[C@@H]([NH2+]CC(=O)Nc1ccc(Br)cc1)C1CCCCC1 ZINC000182034917 552273943 /nfs/dbraw/zinc/27/39/43/552273943.db2.gz VKAWUJBFYMODPG-OAHLLOKOSA-N 1 0 382.302 2.802 20 0 GFADRO C[C@H](NC(=O)N(C)CCCN1CC[NH+](C)CC1)c1ccc(Br)cc1 ZINC000182207855 552278161 /nfs/dbraw/zinc/27/81/61/552278161.db2.gz QEWFUYFNJYMJRT-HNNXBMFYSA-N 1 0 397.361 2.789 20 0 GFADRO O[C@H](CCc1ccccc1)C[NH+]1CCN(c2ccc(Br)cn2)CC1 ZINC000182208930 552278434 /nfs/dbraw/zinc/27/84/34/552278434.db2.gz OYOQUZMTKAUQRD-GOSISDBHSA-N 1 0 390.325 2.960 20 0 GFADRO COCCC[N@H+](C)CCNC(=O)CCc1cc(F)ccc1Br ZINC000182470101 552284819 /nfs/dbraw/zinc/28/48/19/552284819.db2.gz BCZMQWWHLVKMJW-UHFFFAOYSA-N 1 0 375.282 2.605 20 0 GFADRO COCC[NH+]1CCC(NC(=O)Nc2cc(F)c(Br)c(F)c2)CC1 ZINC000182478862 552285131 /nfs/dbraw/zinc/28/51/31/552285131.db2.gz ORTKISDLJDZGTO-UHFFFAOYSA-N 1 0 392.244 2.960 20 0 GFADRO CN(C)C(=O)N1CCC([NH2+][C@H]2CCN(c3ccccc3Br)C2)CC1 ZINC000182955526 552296786 /nfs/dbraw/zinc/29/67/86/552296786.db2.gz HSXKNXQFBQCVFX-HNNXBMFYSA-N 1 0 395.345 2.763 20 0 GFADRO CC[C@@H](C)[C@@H](C)[NH2+]CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000183087791 552299746 /nfs/dbraw/zinc/29/97/46/552299746.db2.gz OTXULIMTFOAZBE-VXGBXAGGSA-N 1 0 375.922 2.553 20 0 GFADRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc(I)c1)[C@@H]1CCCO1 ZINC000183105780 552300152 /nfs/dbraw/zinc/30/01/52/552300152.db2.gz KJDBWMPSCXBSNW-SUNKGSAMSA-N 1 0 388.249 2.775 20 0 GFADRO CN(C1CC[NH2+]CC1)S(=O)(=O)c1c(Cl)cc(F)cc1Br ZINC000183125028 552301077 /nfs/dbraw/zinc/30/10/77/552301077.db2.gz IMCOCKPVJDXYNT-UHFFFAOYSA-N 1 0 385.686 2.614 20 0 GFADRO Cc1ccc(S(=O)(=O)CCC[NH2+][C@H](C[S@](C)=O)c2ccccc2)cc1 ZINC000183176557 552302152 /nfs/dbraw/zinc/30/21/52/552302152.db2.gz IPENPZYHHQQRHC-DVECYGJZSA-N 1 0 379.547 2.868 20 0 GFADRO C[C@@H](CS(=O)(=O)c1ccccc1)[NH2+]C[C@H](C)N1CCc2sccc2C1 ZINC000183259241 552304358 /nfs/dbraw/zinc/30/43/58/552304358.db2.gz IZRLXISFWROOIO-HOTGVXAUSA-N 1 0 378.563 2.947 20 0 GFADRO C[C@@H]([NH2+]Cc1cn(-c2ccc(Cl)c(Cl)c2)nn1)[C@H](C)N1CCOCC1 ZINC000183737145 552318244 /nfs/dbraw/zinc/31/82/44/552318244.db2.gz KWDAWZCWLMFFKS-OLZOCXBDSA-N 1 0 384.311 2.773 20 0 GFADRO O=S(=O)(C[C@H](O)C[NH2+]CC1CCC(C(F)(F)F)CC1)c1cccs1 ZINC000183751590 552318777 /nfs/dbraw/zinc/31/87/77/552318777.db2.gz PMNJIGAFENFXMV-WXRRBKDZSA-N 1 0 385.473 2.841 20 0 GFADRO CN1CC[NH+](CCC(C)(C)NC(=O)Nc2ccccc2Br)CC1 ZINC000183887527 552321389 /nfs/dbraw/zinc/32/13/89/552321389.db2.gz NPRWKZWCRPPGJD-UHFFFAOYSA-N 1 0 383.334 2.987 20 0 GFADRO O[C@H](COc1c(Cl)cccc1Cl)C[N@@H+]1CCOCC2(CCOCC2)C1 ZINC000184080870 552327353 /nfs/dbraw/zinc/32/73/53/552327353.db2.gz FBXVFPVQSDXWGP-AWEZNQCLSA-N 1 0 390.307 2.862 20 0 GFADRO CCOc1cc(C[NH2+][C@]2(CO)CCOC2)cc(Br)c1OC(F)F ZINC000184192232 552329392 /nfs/dbraw/zinc/32/93/92/552329392.db2.gz RUJYMKHYOOKOGJ-HNNXBMFYSA-N 1 0 396.228 2.690 20 0 GFADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)c1ccc(Br)cc1Cl ZINC000184289857 552331809 /nfs/dbraw/zinc/33/18/09/552331809.db2.gz TVNKAKFTCQLAMZ-GFCCVEGCSA-N 1 0 388.737 2.858 20 0 GFADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)[C@H]1C[C@@H]1c1ccc(Br)cc1 ZINC000184377811 552334009 /nfs/dbraw/zinc/33/40/09/552334009.db2.gz WNRIPYRMRGFLST-OLMNPRSZSA-N 1 0 394.357 2.695 20 0 GFADRO Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)[NH2+]CCN1C(=O)CNC1=O ZINC000184509853 552337757 /nfs/dbraw/zinc/33/77/57/552337757.db2.gz HYZKXMFVWFTJFW-SNVBAGLBSA-N 1 0 378.885 2.974 20 0 GFADRO CC[N@H+](CCO)CCNCc1csc(-c2cccc(Br)c2)n1 ZINC000184545904 552338019 /nfs/dbraw/zinc/33/80/19/552338019.db2.gz GTGJXPCNVYIWKP-UHFFFAOYSA-N 1 0 384.343 2.976 20 0 GFADRO CCOC(=O)C[C@H](NC(=O)C[NH+](CC)CC)c1cccc(Br)c1 ZINC000184854182 552345811 /nfs/dbraw/zinc/34/58/11/552345811.db2.gz UQANQAURYYDYBN-HNNXBMFYSA-N 1 0 385.302 2.901 20 0 GFADRO Cc1ccc(-n2nc(Br)cc2C(=O)N2C[C@H]3CC[C@H]([NH3+])[C@@H]3C2)cc1 ZINC000184961292 552349382 /nfs/dbraw/zinc/34/93/82/552349382.db2.gz ZSBHAVUKRZKBKS-YUELXQCFSA-N 1 0 389.297 2.753 20 0 GFADRO CC[NH+](CC)C[C@@H]1CCN(S(=O)(=O)c2ccc(Br)cc2F)C1 ZINC000184978998 552350031 /nfs/dbraw/zinc/35/00/31/552350031.db2.gz FWJGSHPWUGNDJK-LBPRGKRZSA-N 1 0 393.322 2.941 20 0 GFADRO CCn1cc(C[NH2+][C@@H]2CCN(c3ccc(Br)c(C)c3)C2=O)cn1 ZINC000185188273 552356940 /nfs/dbraw/zinc/35/69/40/552356940.db2.gz JUROYWJVOWBRME-MRXNPFEDSA-N 1 0 377.286 2.869 20 0 GFADRO C[NH+]1CCC(NC(=O)NC(C)(C)COc2ncc(Cl)cc2Cl)CC1 ZINC000185230546 552357516 /nfs/dbraw/zinc/35/75/16/552357516.db2.gz LUXBOGYRSBRDHK-UHFFFAOYSA-N 1 0 375.300 2.939 20 0 GFADRO CC(C)C[C@@H](CO)[N@H+](C)CC(=O)Nc1ccccc1I ZINC000185371231 552361390 /nfs/dbraw/zinc/36/13/90/552361390.db2.gz NNYCMGADKKDOND-LBPRGKRZSA-N 1 0 390.265 2.569 20 0 GFADRO C[C@H]1CN(c2ccc(C[NH2+]Cc3cncc(Br)c3)cn2)CCO1 ZINC000186590734 552391929 /nfs/dbraw/zinc/39/19/29/552391929.db2.gz NTVCKSHIMLUVEC-ZDUSSCGKSA-N 1 0 377.286 2.754 20 0 GFADRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)c1ccc(Cl)c(I)c1 ZINC000186758491 552397297 /nfs/dbraw/zinc/39/72/97/552397297.db2.gz JPUBKUIEHNVVKF-PRHODGIISA-N 1 0 378.641 2.672 20 0 GFADRO COc1ccc(Cl)cc1CNC(=O)C[N@@H+]1CCSC2(CCOCC2)C1 ZINC000186805535 552398319 /nfs/dbraw/zinc/39/83/19/552398319.db2.gz BLXKJQREKDAWHV-UHFFFAOYSA-N 1 0 384.929 2.563 20 0 GFADRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 ZINC000186817521 552398969 /nfs/dbraw/zinc/39/89/69/552398969.db2.gz QMTXPEMNNXVAHX-LYRGGWFBSA-N 1 0 384.307 2.712 20 0 GFADRO COc1c(Br)cccc1C[N@@H+]1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000186867440 552400250 /nfs/dbraw/zinc/40/02/50/552400250.db2.gz JPZRNNIIFOQNCD-HNNXBMFYSA-N 1 0 397.313 2.529 20 0 GFADRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)CCc1ccc(Br)cc1 ZINC000186884855 552400548 /nfs/dbraw/zinc/40/05/48/552400548.db2.gz IXBRWFQQAQEBOF-AWEZNQCLSA-N 1 0 383.330 2.685 20 0 GFADRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)CCc1ccccc1Br ZINC000186917021 552400931 /nfs/dbraw/zinc/40/09/31/552400931.db2.gz DSCRAACVYHACIA-CQSZACIVSA-N 1 0 383.330 2.685 20 0 GFADRO Cc1cc(CCC(=O)N2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)ccc1Br ZINC000186911234 552401075 /nfs/dbraw/zinc/40/10/75/552401075.db2.gz NGEKPEKYHTZOFJ-HNNXBMFYSA-N 1 0 397.357 2.994 20 0 GFADRO COc1cnccc1[C@H](C)[NH2+]C[C@H](O)COc1ccc(Br)cc1 ZINC000187105334 552406440 /nfs/dbraw/zinc/40/64/40/552406440.db2.gz YWKLMWIXAYOYHJ-JSGCOSHPSA-N 1 0 381.270 2.943 20 0 GFADRO COCCOC[C@H]1CC[N@H+](C[C@H](O)c2ccc(F)c(Br)c2)C1 ZINC000187090750 552406540 /nfs/dbraw/zinc/40/65/40/552406540.db2.gz LUSHIVNQTLRHJV-LRDDRELGSA-N 1 0 376.266 2.607 20 0 GFADRO COc1cc(Br)ccc1CNC(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000187109751 552406588 /nfs/dbraw/zinc/40/65/88/552406588.db2.gz KXKKJZKSJAHZPC-FZMZJTMJSA-N 1 0 382.302 2.882 20 0 GFADRO O=C(NCc1ccc(F)cc1Br)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC000187304497 552412388 /nfs/dbraw/zinc/41/23/88/552412388.db2.gz YVAWFMKCFXFAGL-MRXNPFEDSA-N 1 0 385.277 2.848 20 0 GFADRO CC[N@H+](C)C[C@H]1CCN(S(=O)(=O)c2cc(C)cc(Br)c2)C1 ZINC000187385991 552414565 /nfs/dbraw/zinc/41/45/65/552414565.db2.gz NADCLSOXMQWJIE-CYBMUJFWSA-N 1 0 375.332 2.720 20 0 GFADRO CNS(=O)(=O)c1cccc([C@H](C)[NH2+]C[C@H](O)c2ccc(F)cc2Cl)c1 ZINC000187426277 552415393 /nfs/dbraw/zinc/41/53/93/552415393.db2.gz VYEDCLWOQYLFFI-GTNSWQLSSA-N 1 0 386.876 2.771 20 0 GFADRO Cc1cc(Br)cc(NC(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)c1 ZINC000187507953 552417364 /nfs/dbraw/zinc/41/73/64/552417364.db2.gz ZFUBDVFMJKARKG-CQSZACIVSA-N 1 0 382.302 2.944 20 0 GFADRO COCC[N@H+](C)CCNC(=O)N1CCC(c2ccccc2Br)CC1 ZINC000187498177 552417431 /nfs/dbraw/zinc/41/74/31/552417431.db2.gz SAPQUKNTQGYZIM-UHFFFAOYSA-N 1 0 398.345 2.916 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N[C@H](C)C[NH+]2CCCCC2)cc1Br ZINC000188058684 552433058 /nfs/dbraw/zinc/43/30/58/552433058.db2.gz KLTGMBAFNXIBJH-CQSZACIVSA-N 1 0 396.329 2.995 20 0 GFADRO CN(CC1([NH+](C)C)CCC1)C(=O)c1ccc(F)c(I)c1 ZINC000188063037 552433315 /nfs/dbraw/zinc/43/33/15/552433315.db2.gz MGFMEVONPDSHJL-UHFFFAOYSA-N 1 0 390.240 2.987 20 0 GFADRO CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)Nc1cc(C)cc(Br)c1 ZINC000188099527 552435255 /nfs/dbraw/zinc/43/52/55/552435255.db2.gz UKFKRBARNPOJSP-HNNXBMFYSA-N 1 0 382.302 2.687 20 0 GFADRO COc1nc(C)c(Br)cc1C(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000188137036 552436385 /nfs/dbraw/zinc/43/63/85/552436385.db2.gz LUTOAEQPVKMOJE-CYBMUJFWSA-N 1 0 382.302 2.862 20 0 GFADRO COc1nc(C)c(Br)cc1C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000188171036 552437541 /nfs/dbraw/zinc/43/75/41/552437541.db2.gz HINKFTFJISFORW-CYBMUJFWSA-N 1 0 382.302 2.719 20 0 GFADRO C[NH+](C)CCCOC1CCN(C(=O)c2ccc(Br)cc2N)CC1 ZINC000188397081 552444112 /nfs/dbraw/zinc/44/41/12/552444112.db2.gz MJJKCFAEASFOKI-UHFFFAOYSA-N 1 0 384.318 2.604 20 0 GFADRO O=C(Nc1cccc(Br)n1)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000188575077 552448789 /nfs/dbraw/zinc/44/87/89/552448789.db2.gz FEANYCQEWZQWHP-KBPBESRZSA-N 1 0 397.317 2.734 20 0 GFADRO C[C@@H]1CN(C(=O)c2[nH]c3ccccc3c2Br)CC[N@@H+]1CC(C)(C)O ZINC000188713782 552453374 /nfs/dbraw/zinc/45/33/74/552453374.db2.gz PMUQDMWCWAXNBA-GFCCVEGCSA-N 1 0 394.313 2.848 20 0 GFADRO C[C@@H]1CN(C(=O)COc2cc(Cl)ccc2Cl)CC[N@@H+]1CC(C)(C)O ZINC000188708163 552453479 /nfs/dbraw/zinc/45/34/79/552453479.db2.gz GMKMOZSEOVPPEC-GFCCVEGCSA-N 1 0 375.296 2.676 20 0 GFADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)C1(c2ccccc2Br)CC1 ZINC000188746262 552454016 /nfs/dbraw/zinc/45/40/16/552454016.db2.gz FRYJIORIKYVLAL-HNNXBMFYSA-N 1 0 394.357 2.623 20 0 GFADRO O=C(CNC(=O)c1sc2ccccc2c1Cl)N1CC[NH+]2CCC1CC2 ZINC000188858636 552456823 /nfs/dbraw/zinc/45/68/23/552456823.db2.gz VFKCSQVBLREUJH-UHFFFAOYSA-N 1 0 377.897 2.591 20 0 GFADRO Cn1cc(CNc2ccc(CN3CC[NH+](C)CC3)c(Br)c2)cn1 ZINC000188883183 552457496 /nfs/dbraw/zinc/45/74/96/552457496.db2.gz RJQISHARMUJVTR-UHFFFAOYSA-N 1 0 378.318 2.542 20 0 GFADRO COc1ccc(Br)c(S(=O)(=O)N(C)CC2([NH+](C)C)CCC2)c1 ZINC000189130854 552463968 /nfs/dbraw/zinc/46/39/68/552463968.db2.gz IWCAWGKMLVPWPV-UHFFFAOYSA-N 1 0 391.331 2.563 20 0 GFADRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NS(=O)(=O)c1ccccc1Br ZINC000189151838 552464480 /nfs/dbraw/zinc/46/44/80/552464480.db2.gz KFEDMEDYBJMXHT-CHWSQXEVSA-N 1 0 375.332 2.848 20 0 GFADRO C[NH+](C)CCNC(=O)Nc1nc2ccc(I)cc2s1 ZINC000189625858 552476329 /nfs/dbraw/zinc/47/63/29/552476329.db2.gz YMSGGSREHWXAHA-UHFFFAOYSA-N 1 0 390.250 2.584 20 0 GFADRO O=C(NCCN1CCCOCC1)c1cnn(-c2ccc(Cl)cc2Cl)c1 ZINC000189407616 552470940 /nfs/dbraw/zinc/47/09/40/552470940.db2.gz UOBQRWLCZMKEAI-UHFFFAOYSA-N 1 0 383.279 2.631 20 0 GFADRO NC(=O)c1coc(C[NH2+]C2CCN(Cc3ccccc3Br)CC2)c1 ZINC000189425917 552471621 /nfs/dbraw/zinc/47/16/21/552471621.db2.gz ODHOQCDOENEMPH-UHFFFAOYSA-N 1 0 392.297 2.895 20 0 GFADRO CC[C@H](Cc1cccc(Br)c1)C(=O)NCC[N@@H+]1CCCOCC1 ZINC000189458729 552472174 /nfs/dbraw/zinc/47/21/74/552472174.db2.gz VRFBBBSJBXQKLF-MRXNPFEDSA-N 1 0 383.330 2.856 20 0 GFADRO [NH3+]CCCOC1CCN(S(=O)(=O)c2ccc(Cl)c(F)c2Cl)CC1 ZINC000189481362 552472665 /nfs/dbraw/zinc/47/26/65/552472665.db2.gz WGIXHVHFUDNPHD-UHFFFAOYSA-N 1 0 385.288 2.651 20 0 GFADRO CCS[C@@H]1CCCC[C@@H]1[NH2+]CCOc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000189483966 552472721 /nfs/dbraw/zinc/47/27/21/552472721.db2.gz ZOJDBJSFOZGXAI-ZWKOTPCHSA-N 1 0 386.583 2.970 20 0 GFADRO CCOc1ccc(NC(=O)N(CCOC)CC[NH+](C)C)cc1Br ZINC000189484979 552472830 /nfs/dbraw/zinc/47/28/30/552472830.db2.gz XMJJAVKXKUWOPR-UHFFFAOYSA-N 1 0 388.306 2.890 20 0 GFADRO C[C@@H](C(=O)Nc1ccc(Br)cc1)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000189920065 552482782 /nfs/dbraw/zinc/48/27/82/552482782.db2.gz SMIRAQIKPKOJLF-KBPBESRZSA-N 1 0 398.345 2.553 20 0 GFADRO COc1cc(Br)ccc1[C@H](C)[NH2+][C@@H](C)C(=O)NC(=O)NC(C)C ZINC000189977559 552484417 /nfs/dbraw/zinc/48/44/17/552484417.db2.gz QIXIFRPNUJJVDZ-QWRGUYRKSA-N 1 0 386.290 2.731 20 0 GFADRO CC[N@H+](C)C[C@H]1CCN(S(=O)(=O)c2cc(Br)c(F)cc2C)C1 ZINC000190032738 552485676 /nfs/dbraw/zinc/48/56/76/552485676.db2.gz BDBUMBCIBXBRPN-GFCCVEGCSA-N 1 0 393.322 2.859 20 0 GFADRO CC[N@@H+]1CC[C@H](CNC(=O)c2scc(C)c2I)C1 ZINC000190201107 552490130 /nfs/dbraw/zinc/49/01/30/552490130.db2.gz IYYHMNVJZZONPT-SNVBAGLBSA-N 1 0 378.279 2.733 20 0 GFADRO COc1cc(Br)ccc1[C@H](C)[NH2+]CC(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000190432600 552496026 /nfs/dbraw/zinc/49/60/26/552496026.db2.gz BTGRLAMUJBUQHX-XQQFMLRXSA-N 1 0 385.302 2.744 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1cc(Cl)ccc1O[C@@H](C)COC ZINC000190449228 552497148 /nfs/dbraw/zinc/49/71/48/552497148.db2.gz YYKUEAMUDRGQTN-DZGCQCFKSA-N 1 0 390.933 2.516 20 0 GFADRO Cc1cccc(CNC(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)c1Br ZINC000190495255 552498740 /nfs/dbraw/zinc/49/87/40/552498740.db2.gz XUIGOPHMAQVPJK-HNNXBMFYSA-N 1 0 396.329 2.621 20 0 GFADRO Cc1cc(NC(=O)C(=O)NC[C@@H](C)[N@H+](C)C2CC2)cc(C)c1Br ZINC000190497446 552498815 /nfs/dbraw/zinc/49/88/15/552498815.db2.gz UNUJNWXMIOPYFN-GFCCVEGCSA-N 1 0 382.302 2.603 20 0 GFADRO CCN(CCC[NH+](CC)CC)C(=O)C(=O)Nc1cccc(Br)c1 ZINC000190657530 552505008 /nfs/dbraw/zinc/50/50/08/552505008.db2.gz DFAPZZPDQZJYFM-UHFFFAOYSA-N 1 0 384.318 2.968 20 0 GFADRO CCS(=O)(=O)N1CC(C[NH2+][C@H]2C[C@H](C)c3c2cccc3Br)C1 ZINC000190693583 552506588 /nfs/dbraw/zinc/50/65/88/552506588.db2.gz MZZMUKKKIJRKOW-NHYWBVRUSA-N 1 0 387.343 2.869 20 0 GFADRO COC(C)(C)C(=O)Nc1ccc(CN2CC[NH+](C)CC2)c(Br)c1 ZINC000191087266 552518434 /nfs/dbraw/zinc/51/84/34/552518434.db2.gz TXNCBKDJBIFXNP-UHFFFAOYSA-N 1 0 384.318 2.560 20 0 GFADRO Cn1ccnc1[C@@](O)(CC[NH2+]Cc1ccc(Br)o1)C(F)(F)F ZINC000191112895 552519097 /nfs/dbraw/zinc/51/90/97/552519097.db2.gz DHJRQYXQXGZAMC-LBPRGKRZSA-N 1 0 382.180 2.705 20 0 GFADRO Cn1cc([C@H]2CSCC[N@@H+]2CCC(=O)NCc2ccccc2Cl)cn1 ZINC000191170145 552520081 /nfs/dbraw/zinc/52/00/81/552520081.db2.gz KYXLEVVZRFHYJY-QGZVFWFLSA-N 1 0 378.929 2.870 20 0 GFADRO CCOC(=O)[C@H](C)[C@@H](C)[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000191812403 552539008 /nfs/dbraw/zinc/53/90/08/552539008.db2.gz ZNIZJVKKWTVYBS-ZIAGYGMSSA-N 1 0 399.329 2.963 20 0 GFADRO CC[NH+]1CCN(c2ccccc2NS(=O)(=O)CCc2cccs2)CC1 ZINC000192009667 552545574 /nfs/dbraw/zinc/54/55/74/552545574.db2.gz AFGMPRMHBNLRLD-UHFFFAOYSA-N 1 0 379.551 2.874 20 0 GFADRO C[NH+](C)CC(C)(C)CNC(=O)C(=O)Nc1cccc(Cl)c1Br ZINC000192031779 552546823 /nfs/dbraw/zinc/54/68/23/552546823.db2.gz QLVJJUVTCNMDCG-UHFFFAOYSA-N 1 0 390.709 2.745 20 0 GFADRO C[C@@H]([NH3+])[C@@H](C)C(=O)NCCSCCOc1cccc(Br)c1 ZINC000192048390 552547887 /nfs/dbraw/zinc/54/78/87/552547887.db2.gz RMKGWJGTDUWMHD-VXGBXAGGSA-N 1 0 375.332 2.661 20 0 GFADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2cc(Cl)c(Cl)cc2OC)C1 ZINC000192062330 552548462 /nfs/dbraw/zinc/54/84/62/552548462.db2.gz CYPCEARDDJELMT-NSHDSACASA-N 1 0 388.295 2.741 20 0 GFADRO O=C1[C@H](N2CCC[N@@H+](C3CC3)CC2)CCN1c1cccc(Br)c1 ZINC000192072145 552549034 /nfs/dbraw/zinc/54/90/34/552549034.db2.gz IEOICOVBHGZTBC-QGZVFWFLSA-N 1 0 378.314 2.725 20 0 GFADRO C[N@H+]1C[C@H]2CN(C(=O)c3ccc(I)cc3Cl)C[C@H]2C1 ZINC000192530867 552566357 /nfs/dbraw/zinc/56/63/57/552566357.db2.gz DTCPMDKQBYRPMY-AOOOYVTPSA-N 1 0 390.652 2.578 20 0 GFADRO O=C1NC(=O)[C@@]2(CCC[N@@H+](CC/C=C/c3ccc(Br)cc3)C2)N1 ZINC000192644328 552568346 /nfs/dbraw/zinc/56/83/46/552568346.db2.gz CIYQAOKTCJGFBM-XMUUHYKESA-N 1 0 378.270 2.526 20 0 GFADRO COc1cc(Cl)c(S(=O)(=O)NCC2(C[NH+](C)C)CCCC2)cc1OC ZINC000192826266 552975052 /nfs/dbraw/zinc/97/50/52/552975052.db2.gz FBDWMQJPWQNKRQ-UHFFFAOYSA-N 1 0 390.933 2.758 20 0 GFADRO CC[NH+]1CCC(n2nccc2NC(=O)c2ncccc2Br)CC1 ZINC000193092055 552983187 /nfs/dbraw/zinc/98/31/87/552983187.db2.gz FDHSYBYWXIUTFF-UHFFFAOYSA-N 1 0 378.274 2.950 20 0 GFADRO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)C[NH2+][C@H](CO)C(C)(C)C ZINC000193097039 552983414 /nfs/dbraw/zinc/98/34/14/552983414.db2.gz SMQMHRUJBGKUOS-GFCCVEGCSA-N 1 0 377.268 2.715 20 0 GFADRO CCS(=O)(=O)N1CCC([NH2+][C@H]2CCc3ccc(Br)cc32)CC1 ZINC000193158316 552985157 /nfs/dbraw/zinc/98/51/57/552985157.db2.gz DGJUSDKWTICREC-INIZCTEOSA-N 1 0 387.343 2.840 20 0 GFADRO C[NH2+]C[C@H](C)CNS(=O)(=O)c1ccc(Br)c(Cl)c1Cl ZINC000193278254 552988616 /nfs/dbraw/zinc/98/86/16/552988616.db2.gz KRIYJQFVWSXKHF-ZETCQYMHSA-N 1 0 390.130 2.890 20 0 GFADRO C[NH2+]C[C@H](C)CNS(=O)(=O)c1cc(C(F)(F)F)ccc1Br ZINC000193276468 552988642 /nfs/dbraw/zinc/98/86/42/552988642.db2.gz KEQSHAFKJRRMGN-QMMMGPOBSA-N 1 0 389.237 2.602 20 0 GFADRO CC[NH+](CC)CCN1CCC(C(=O)Nc2ccc(Br)cn2)CC1 ZINC000193474393 552994686 /nfs/dbraw/zinc/99/46/86/552994686.db2.gz IWEPASMICRVDMS-UHFFFAOYSA-N 1 0 383.334 2.836 20 0 GFADRO C[C@H]1[NH2+]CCC[C@H]1NC(=O)c1nn(-c2ccc(F)cc2)cc1Br ZINC000193646080 552999100 /nfs/dbraw/zinc/99/91/00/552999100.db2.gz WGWMHGPIBLHBJH-QMTHXVAHSA-N 1 0 381.249 2.644 20 0 GFADRO CSC1(C[NH2+][C@@H](C)c2cccc(S(=O)(=O)N3CCOCC3)c2)CCC1 ZINC000193805446 553003745 /nfs/dbraw/zinc/00/37/45/553003745.db2.gz DIIJAYUECMSPRR-HNNXBMFYSA-N 1 0 384.567 2.644 20 0 GFADRO C[C@@H]([NH2+]CC1CCN(S(C)(=O)=O)CC1)c1cc(Br)cs1 ZINC000194011773 553009663 /nfs/dbraw/zinc/00/96/63/553009663.db2.gz OLRSGDLRLXTXJZ-SNVBAGLBSA-N 1 0 381.361 2.833 20 0 GFADRO CCS(=O)(=O)N1CC(C[NH2+][C@@H](C)CCc2ccc(C(F)(F)F)cc2)C1 ZINC000194007814 553009772 /nfs/dbraw/zinc/00/97/72/553009772.db2.gz TYZCBSCAIFBTMF-ZDUSSCGKSA-N 1 0 378.460 2.898 20 0 GFADRO C[NH+](C)C1CCN(CCNC(=O)c2ccc(OC(F)(F)Cl)cc2)CC1 ZINC000194725421 553028058 /nfs/dbraw/zinc/02/80/58/553028058.db2.gz BSVSTVFVBVPNGS-UHFFFAOYSA-N 1 0 375.847 2.610 20 0 GFADRO C[C@@H](NC(=O)c1csc(CC[NH3+])n1)c1noc(-c2ccc(Cl)cc2)n1 ZINC000194823532 553030721 /nfs/dbraw/zinc/03/07/21/553030721.db2.gz OTAYJNXJMMISTD-SECBINFHSA-N 1 0 377.857 2.839 20 0 GFADRO CC(C)Oc1nnc(SCC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)s1 ZINC000194838622 553031714 /nfs/dbraw/zinc/03/17/14/553031714.db2.gz UBFONVOYTDLFNS-AWEZNQCLSA-N 1 0 380.539 2.837 20 0 GFADRO C[C@@H](NC(=O)c1ccc(F)cc1I)[C@@H]1CCC[NH2+]C1 ZINC000226235659 553061478 /nfs/dbraw/zinc/06/14/78/553061478.db2.gz JPBDZTRLLJITPZ-NXEZZACHSA-N 1 0 376.213 2.548 20 0 GFADRO O=C(c1cc(Br)c2c(c1)OCCO2)N1CCC[N@@H+](C2CC2)CC1 ZINC000195372129 553046561 /nfs/dbraw/zinc/04/65/61/553046561.db2.gz ZOHNHTZDARQKEC-UHFFFAOYSA-N 1 0 381.270 2.531 20 0 GFADRO OCCn1nccc1C1CC[NH+](C[C@H](O)c2cccc(Br)c2)CC1 ZINC000195509747 553051050 /nfs/dbraw/zinc/05/10/50/553051050.db2.gz WAWKBVPKBAVNIA-SFHVURJKSA-N 1 0 394.313 2.551 20 0 GFADRO [NH3+]C[C@H]1CCC[C@H]1NC(=O)c1cc(Cl)ccc1I ZINC000226269946 553061434 /nfs/dbraw/zinc/06/14/34/553061434.db2.gz BUQMKNPRTOYCJA-PRHODGIISA-N 1 0 378.641 2.802 20 0 GFADRO C[NH2+]C[C@H]1CCCN1C(=O)c1cc(Cl)ccc1I ZINC000226286918 553061507 /nfs/dbraw/zinc/06/15/07/553061507.db2.gz LTCSQHNYNKKINH-SNVBAGLBSA-N 1 0 378.641 2.769 20 0 GFADRO O=C(N[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(I)c(Cl)c1 ZINC000226780458 553061919 /nfs/dbraw/zinc/06/19/19/553061919.db2.gz XAQUUYRQGHBNRB-JTQLQIEISA-N 1 0 390.652 2.911 20 0 GFADRO O=C(NCC[NH+]1CCCC1)c1ccc(I)c(Cl)c1 ZINC000226772416 553061932 /nfs/dbraw/zinc/06/19/32/553061932.db2.gz FUMFWSJXXGRECV-UHFFFAOYSA-N 1 0 378.641 2.770 20 0 GFADRO C[NH+](C)CC1CCN(C(=O)c2ccc(F)cc2I)CC1 ZINC000226728570 553062178 /nfs/dbraw/zinc/06/21/78/553062178.db2.gz KNQZNMQCUJKBAD-UHFFFAOYSA-N 1 0 390.240 2.844 20 0 GFADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3cccc(I)c3)CC[C@H]21 ZINC000227336784 553062911 /nfs/dbraw/zinc/06/29/11/553062911.db2.gz PJIZBFZYVHQCCM-UKRRQHHQSA-N 1 0 384.261 2.848 20 0 GFADRO C[C@H](NCc1ncc(Br)cc1Br)C(=O)NC(C)(C)C ZINC000228968568 553063714 /nfs/dbraw/zinc/06/37/14/553063714.db2.gz HEWQWFVMNMWFBV-QMMMGPOBSA-N 1 0 393.123 2.999 20 0 GFADRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)c1cc(Cl)ccc1I ZINC000228769710 553064052 /nfs/dbraw/zinc/06/40/52/553064052.db2.gz HBRSAFKFRDJXLM-DTWKUNHWSA-N 1 0 378.641 2.754 20 0 GFADRO Cc1cccc(C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c1I ZINC000230072062 553064427 /nfs/dbraw/zinc/06/44/27/553064427.db2.gz DAAALZLKRKNIAW-YUTCNCBUSA-N 1 0 384.261 2.799 20 0 GFADRO C[NH+](C)CCOCCNC(=O)c1ccc(Br)cc1Br ZINC000230183278 553064963 /nfs/dbraw/zinc/06/49/63/553064963.db2.gz IEGJXSGMFBOFBJ-UHFFFAOYSA-N 1 0 394.107 2.520 20 0 GFADRO CN(C[C@@H]1CCC[N@@H+]1C)S(=O)(=O)c1ccc(Cl)c(Br)c1 ZINC000234344590 553066925 /nfs/dbraw/zinc/06/69/25/553066925.db2.gz VMYIBPRHDYUKCD-JTQLQIEISA-N 1 0 381.723 2.817 20 0 GFADRO O=C(Cc1csc(-c2cccc(Br)c2)n1)NCC[NH2+]C1CC1 ZINC000236580391 553069063 /nfs/dbraw/zinc/06/90/63/553069063.db2.gz SJRFBORBYJXHBD-UHFFFAOYSA-N 1 0 380.311 2.983 20 0 GFADRO O=C(Nc1ccc(Oc2cccc(Br)c2)nc1)[C@@H]1C[NH2+]CCO1 ZINC000236575293 553069110 /nfs/dbraw/zinc/06/91/10/553069110.db2.gz NAKJEWYYFAJMSG-AWEZNQCLSA-N 1 0 378.226 2.563 20 0 GFADRO O=C(CCc1ncc(-c2ccccc2Br)o1)N[C@@H]1CCC[NH2+]C1 ZINC000236590719 553069884 /nfs/dbraw/zinc/06/98/84/553069884.db2.gz UWWIELICYFMNHL-GFCCVEGCSA-N 1 0 378.270 2.905 20 0 GFADRO O=C(C[C@@H]1CSCC[NH2+]1)Nc1nccn1Cc1ccc(Br)cc1 ZINC000236711903 553071206 /nfs/dbraw/zinc/07/12/06/553071206.db2.gz FPIYMOJJJCZPLO-CQSZACIVSA-N 1 0 395.326 2.728 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)N1CCCC[C@H]1C[NH3+] ZINC000236825018 553071588 /nfs/dbraw/zinc/07/15/88/553071588.db2.gz DNKRJJXYYRZFHG-GJZGRUSLSA-N 1 0 384.567 2.691 20 0 GFADRO CN(CC(=O)Nc1ccc(Br)cn1)C(=O)[C@H]1CCCCCC[C@@H]1[NH3+] ZINC000237097140 553074750 /nfs/dbraw/zinc/07/47/50/553074750.db2.gz HCCRYKWDUNRUGN-KBPBESRZSA-N 1 0 397.317 2.539 20 0 GFADRO COc1ccc(Br)cc1C(=O)CCC(=O)N[C@](C)(C[NH3+])C1CC1 ZINC000237111811 553074819 /nfs/dbraw/zinc/07/48/19/553074819.db2.gz QJVUBHWQNDAVON-QGZVFWFLSA-N 1 0 383.286 2.664 20 0 GFADRO COC(=O)C[C@H](NC(=O)CC1CC[NH2+]CC1)c1ccc(Br)cc1 ZINC000237215846 553075999 /nfs/dbraw/zinc/07/59/99/553075999.db2.gz VOHLFEDZDFMCOX-HNNXBMFYSA-N 1 0 383.286 2.559 20 0 GFADRO C[C@@H]1CN(C(=O)c2ccc(Cl)c(I)c2)[C@H](C)C[NH2+]1 ZINC000237480731 553078086 /nfs/dbraw/zinc/07/80/86/553078086.db2.gz BCBVNJPUWWMCEK-RKDXNWHRSA-N 1 0 378.641 2.767 20 0 GFADRO Cc1c(C(=O)N2CCC[C@@H](C)[C@@H]2C[NH3+])nnn1-c1cccc(Br)c1 ZINC000237457144 553078190 /nfs/dbraw/zinc/07/81/90/553078190.db2.gz NBIYMEKWLYVYGF-ABAIWWIYSA-N 1 0 392.301 2.538 20 0 GFADRO C[C@@]1(C(=O)NCCc2ccc(I)s2)CCCC[NH2+]1 ZINC000237503049 553078846 /nfs/dbraw/zinc/07/88/46/553078846.db2.gz PXIDTSUZWNBRNU-ZDUSSCGKSA-N 1 0 378.279 2.544 20 0 GFADRO C[C@H](C[NH3+])N(C)C(=O)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000237596006 553079301 /nfs/dbraw/zinc/07/93/01/553079301.db2.gz KIJVCFWLKMMEBC-SNVBAGLBSA-N 1 0 378.826 2.776 20 0 GFADRO Cc1cc(C(=O)N[C@@](C)(C[NH3+])C2CC2)nn1-c1ccc(Br)cc1 ZINC000237765545 553081649 /nfs/dbraw/zinc/08/16/49/553081649.db2.gz DOOMHYFFSQMGFD-KRWDZBQOSA-N 1 0 377.286 2.800 20 0 GFADRO O=C(NCC[C@@H]1CCC[NH2+]C1)c1c(F)cccc1I ZINC000237797786 553082490 /nfs/dbraw/zinc/08/24/90/553082490.db2.gz FMEKGKYCWQHISG-JTQLQIEISA-N 1 0 376.213 2.550 20 0 GFADRO [NH3+]CCCOC1CCN(C(=O)C2(c3cccc(Br)c3)CC2)CC1 ZINC000237829764 553082832 /nfs/dbraw/zinc/08/28/32/553082832.db2.gz ZCHKDUVIPWIOGR-UHFFFAOYSA-N 1 0 381.314 2.837 20 0 GFADRO O=C(CNC(=O)c1ccc(Cl)c(Cl)c1)N1CCC([NH2+]CC2CC2)CC1 ZINC000237864730 553083249 /nfs/dbraw/zinc/08/32/49/553083249.db2.gz CQYPWASFXXZBAT-UHFFFAOYSA-N 1 0 384.307 2.714 20 0 GFADRO [NH3+]C[C@H]1CCCN(C(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CCCC2)C1 ZINC000237863808 553083284 /nfs/dbraw/zinc/08/32/84/553083284.db2.gz CDHJUSUGJURVPM-CQSZACIVSA-N 1 0 384.929 2.624 20 0 GFADRO [NH3+]C[C@H]1CCCN(C(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)C1 ZINC000237873355 553083395 /nfs/dbraw/zinc/08/33/95/553083395.db2.gz AGCNTRDNPIAGSD-WBMJQRKESA-N 1 0 384.307 2.795 20 0 GFADRO Cc1ccc(Br)c(S(=O)(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c1 ZINC000245670256 553094881 /nfs/dbraw/zinc/09/48/81/553094881.db2.gz COIJHOXFSYXYQN-DZGCQCFKSA-N 1 0 387.343 2.862 20 0 GFADRO CC1(C)[C@H]([NH2+]C[C@H](O)COc2ccccc2Br)[C@H]2CCCO[C@H]21 ZINC000245846049 553097828 /nfs/dbraw/zinc/09/78/28/553097828.db2.gz FOEBGTNCDDXBEV-NSNWQYSKSA-N 1 0 384.314 2.982 20 0 GFADRO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)c1cccc(Br)n1 ZINC000245868489 553098370 /nfs/dbraw/zinc/09/83/70/553098370.db2.gz KPJCUYDPIUCAGR-DZGCQCFKSA-N 1 0 389.297 2.880 20 0 GFADRO CO[C@H]1CCC[N@H+](C[C@@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000246130853 553102948 /nfs/dbraw/zinc/10/29/48/553102948.db2.gz PDRZZJGWHRBMKL-OLZOCXBDSA-N 1 0 378.694 2.953 20 0 GFADRO [NH3+][C@@H]1CCC[C@H](C(=O)NC[C@@H]2CCN(c3cccc(Br)c3)C2)C1 ZINC000246221762 553104605 /nfs/dbraw/zinc/10/46/05/553104605.db2.gz GUCPJMQFXPLEAB-OFQRWUPVSA-N 1 0 380.330 2.909 20 0 GFADRO CC(=O)N1CC[C@H](C[N@@H+](C)[C@@H](C)C(=O)Nc2ccccc2Br)C1 ZINC000246453661 553107804 /nfs/dbraw/zinc/10/78/04/553107804.db2.gz IZMCELHOILYVTQ-GXTWGEPZSA-N 1 0 382.302 2.576 20 0 GFADRO C[C@H](Cn1cc(Br)cn1)[NH2+][C@H]1C[C@H](C)N(c2ccccc2)C1=O ZINC000246586337 553110129 /nfs/dbraw/zinc/11/01/29/553110129.db2.gz YYYPXIBQFIYPON-WWGRRREGSA-N 1 0 377.286 2.818 20 0 GFADRO CC(=O)N1CC[C@H](C[N@H+](C)C[C@@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000246717712 553111784 /nfs/dbraw/zinc/11/17/84/553111784.db2.gz NOCATQDBEMEWMH-UKRRQHHQSA-N 1 0 375.296 2.533 20 0 GFADRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N[C@@H](CO)c1cccc(Br)c1 ZINC000246730672 553111964 /nfs/dbraw/zinc/11/19/64/553111964.db2.gz GGAYCRCIJBDFGR-KEYYUXOJSA-N 1 0 398.345 2.902 20 0 GFADRO O[C@H](COc1ccc(Cl)cc1Cl)C[N@@H+]1CCS[C@@H]2COCC[C@H]21 ZINC000246749429 553112496 /nfs/dbraw/zinc/11/24/96/553112496.db2.gz HDGHEOKWZLFXDD-JGGQBBKZSA-N 1 0 378.321 2.939 20 0 GFADRO O[C@@H](COc1cc(Cl)ccc1Cl)C[N@@H+]1CCC[C@@H](Cn2ccnn2)C1 ZINC000246810303 553113691 /nfs/dbraw/zinc/11/36/91/553113691.db2.gz TXBRUASNIWTBRP-UKRRQHHQSA-N 1 0 385.295 2.737 20 0 GFADRO CC[C@H]1CN(C(=O)c2cc3ccc(Br)cc3[nH]2)CC[N@@H+]1C[C@H](C)O ZINC000246857433 553114290 /nfs/dbraw/zinc/11/42/90/553114290.db2.gz NGNHBUNZCLEKPX-WFASDCNBSA-N 1 0 394.313 2.848 20 0 GFADRO CC[N@H+](C)C[C@H]1CCN(C(=O)C[C@@H]2Sc3ccc(Cl)cc3NC2=O)C1 ZINC000246876865 553115080 /nfs/dbraw/zinc/11/50/80/553115080.db2.gz IFQAYCIRQGREOB-WBMJQRKESA-N 1 0 381.929 2.943 20 0 GFADRO CSc1ccc(Cl)cc1NC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000247127738 553118904 /nfs/dbraw/zinc/11/89/04/553118904.db2.gz QCRRICAXXUCRMU-IUODEOHRSA-N 1 0 381.929 2.943 20 0 GFADRO Cc1cc(S(=O)(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)ccc1Br ZINC000247352269 553121309 /nfs/dbraw/zinc/12/13/09/553121309.db2.gz IFNFLYQRZFIQJO-CZUORRHYSA-N 1 0 387.343 2.862 20 0 GFADRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)S(=O)(=O)c1ccc(F)c(Br)c1 ZINC000247400188 553122023 /nfs/dbraw/zinc/12/20/23/553122023.db2.gz HRDWEILCDDDTRT-IINYFYTJSA-N 1 0 379.295 2.549 20 0 GFADRO C[C@@H](C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1)[N@@H+]1CC[C@@H](C)[C@@H]1C ZINC000248343659 553128341 /nfs/dbraw/zinc/12/83/41/553128341.db2.gz KOZUYFGTENRBKQ-AGIUHOORSA-N 1 0 387.933 2.648 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2ccc(OCC(F)F)cc2)[C@@H](C)C1 ZINC000248465632 553130106 /nfs/dbraw/zinc/13/01/06/553130106.db2.gz RTGWHIDNHZVXRP-BBRMVZONSA-N 1 0 376.469 2.681 20 0 GFADRO C[C@@H]1CC[C@H]([NH2+]CC(=O)NCC(=O)Nc2ccccc2Br)[C@@H](C)C1 ZINC000248555358 553131288 /nfs/dbraw/zinc/13/12/88/553131288.db2.gz KJGSQCKHVHELKJ-IPYPFGDCSA-N 1 0 396.329 2.918 20 0 GFADRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)[C@H]2Cc3cc(Br)ccc3O2)C1 ZINC000248799289 553135055 /nfs/dbraw/zinc/13/50/55/553135055.db2.gz ZRCTZXKVLZWTAN-SUMWQHHRSA-N 1 0 381.314 2.847 20 0 GFADRO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)c1cc(OC)c(OC)cc1Cl ZINC000248779027 553135187 /nfs/dbraw/zinc/13/51/87/553135187.db2.gz UUMJXTSLFOICRO-OLZOCXBDSA-N 1 0 388.917 2.605 20 0 GFADRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2ncc(Br)s2)[C@@H](C)C1 ZINC000249035041 553137821 /nfs/dbraw/zinc/13/78/21/553137821.db2.gz XAFDRWKNCURMMO-NWDGAFQWSA-N 1 0 390.347 2.772 20 0 GFADRO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1ccc(Cl)c(S(C)(=O)=O)c1 ZINC000249071207 553138567 /nfs/dbraw/zinc/13/85/67/553138567.db2.gz RAEOMKHXNNYHEL-KBPBESRZSA-N 1 0 385.917 2.834 20 0 GFADRO C[C@@H](NC(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1)c1ccccc1Br ZINC000249097793 553138934 /nfs/dbraw/zinc/13/89/34/553138934.db2.gz ISSHMIAZKNGFMM-UONOGXRCSA-N 1 0 398.345 2.997 20 0 GFADRO [NH3+][C@@H]1CC[C@@H]2CN(S(=O)(=O)c3cc(Cl)ccc3OCCC3CC3)C[C@H]12 ZINC000249428497 553143024 /nfs/dbraw/zinc/14/30/24/553143024.db2.gz DSPOKILGKFUCLX-VNQPRFMTSA-N 1 0 384.929 2.877 20 0 GFADRO CC[C@H](Cc1ccccc1Br)[N@H+](C)CC(=O)NC[C@H]1CCCO1 ZINC000249490006 553143824 /nfs/dbraw/zinc/14/38/24/553143824.db2.gz ZFSMMPLSGYEECU-HZPDHXFCSA-N 1 0 383.330 2.997 20 0 GFADRO Cc1cc(F)c(Br)cc1S(=O)(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000249712561 553145437 /nfs/dbraw/zinc/14/54/37/553145437.db2.gz YXORCUUFGFBSMI-RYUDHWBXSA-N 1 0 393.322 3.000 20 0 GFADRO C[C@@H]1CCN(Cc2cnn(-c3ccc(Br)cc3)c2)[C@@H](C(N)=O)C1 ZINC000250111465 553147130 /nfs/dbraw/zinc/14/71/30/553147130.db2.gz SXEYZMKRNBSQRK-MLGOLLRUSA-N 1 0 377.286 2.721 20 0 GFADRO CCNc1ccc(S(=O)(=O)C(F)F)cc1NC(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000261629476 553154802 /nfs/dbraw/zinc/15/48/02/553154802.db2.gz BRRMPABMRJGTEG-CMPLNLGQSA-N 1 0 375.441 2.571 20 0 GFADRO [NH3+][C@@H]1CN(S(=O)(=O)c2cc(F)ccc2Br)C[C@H]1c1ccccc1 ZINC000261643560 553155095 /nfs/dbraw/zinc/15/50/95/553155095.db2.gz GLLLYFITCYZSMC-DZGCQCFKSA-N 1 0 399.285 2.704 20 0 GFADRO COc1ccc(CN(C)C(=O)[C@](C)([NH3+])c2ccc(Br)cc2)cc1O ZINC000261639456 553155208 /nfs/dbraw/zinc/15/52/08/553155208.db2.gz CLSRGFGTRPHZKM-GOSISDBHSA-N 1 0 393.281 2.996 20 0 GFADRO C[C@H]([NH3+])CC(=O)N1CCC[C@H]1c1nc(Cc2ccc(Br)cc2)no1 ZINC000261674801 553155834 /nfs/dbraw/zinc/15/58/34/553155834.db2.gz AXBZSLQLKAKJDW-FZMZJTMJSA-N 1 0 393.285 2.824 20 0 GFADRO [NH3+]C1(c2noc([C@@H]3CC(=O)N(c4ccccc4Br)C3)n2)CCC1 ZINC000261716483 553157389 /nfs/dbraw/zinc/15/73/89/553157389.db2.gz JFUIRQOTZHHZSH-SNVBAGLBSA-N 1 0 377.242 2.691 20 0 GFADRO C[C@H](Oc1ccc(F)cc1Br)C(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000261749975 553157770 /nfs/dbraw/zinc/15/77/70/553157770.db2.gz IXWQUQVNIRDJBA-LBPRGKRZSA-N 1 0 385.277 2.958 20 0 GFADRO C[C@H]1C[NH2+]CCN1CC(=O)Nc1ccc(Br)c(C(F)(F)F)c1 ZINC000261770988 553158363 /nfs/dbraw/zinc/15/83/63/553158363.db2.gz MQQXPJIREMNUTE-VIFPVBQESA-N 1 0 380.208 2.700 20 0 GFADRO C[C@@]1(C[NH3+])CCN(C(=O)[C@H]2CCCN2C(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000261806896 553159676 /nfs/dbraw/zinc/15/96/76/553159676.db2.gz HHBBZCFDXOGNEL-QAPCUYQASA-N 1 0 384.307 2.795 20 0 GFADRO C[C@@H]1CCN(C(=O)CCNC(=O)Nc2ccc(Br)cc2)[C@H](C[NH3+])C1 ZINC000261802060 553159698 /nfs/dbraw/zinc/15/96/98/553159698.db2.gz MTDZFJKISQNRBH-DOMZBBRYSA-N 1 0 397.317 2.547 20 0 GFADRO Cc1noc(C)c1C[C@H](C)NC(=O)[C@](C)([NH3+])c1ccc(Br)cc1 ZINC000261837356 553160421 /nfs/dbraw/zinc/16/04/21/553160421.db2.gz UQLFBHLPIYHCDI-DYZYQPBXSA-N 1 0 380.286 2.975 20 0 GFADRO O=C(CN1CCC([C@@H]2CCC[NH2+]2)CC1)Nc1ccc(Br)cc1F ZINC000261837896 553160431 /nfs/dbraw/zinc/16/04/31/553160431.db2.gz YGERJFFNLKAGGV-HNNXBMFYSA-N 1 0 384.293 2.991 20 0 GFADRO C[C@]([NH3+])(C(=O)NCCOCc1ccccc1)c1ccc(Br)cc1 ZINC000261853551 553161157 /nfs/dbraw/zinc/16/11/57/553161157.db2.gz WCKFPRMCFVKEJN-GOSISDBHSA-N 1 0 377.282 2.956 20 0 GFADRO COc1ccc(Br)cc1[C@@H]1CCCN1C(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000261865667 553161350 /nfs/dbraw/zinc/16/13/50/553161350.db2.gz SOJOZOHDELSWHU-INWMFGNUSA-N 1 0 383.286 2.628 20 0 GFADRO C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000261909412 553162372 /nfs/dbraw/zinc/16/23/72/553162372.db2.gz XJZPFPVPOMNPPP-LBPRGKRZSA-N 1 0 384.307 2.714 20 0 GFADRO COc1ccccc1CCNC(=O)[C@@](C)([NH3+])c1ccc(Br)cc1 ZINC000261943761 553163196 /nfs/dbraw/zinc/16/31/96/553163196.db2.gz FEWHKAZEKMPEEC-SFHVURJKSA-N 1 0 377.282 2.991 20 0 GFADRO [NH3+][C@@H](CNC(=O)c1ccc(NC(=O)c2ccc(Br)o2)cc1)C1CC1 ZINC000261966581 553163555 /nfs/dbraw/zinc/16/35/55/553163555.db2.gz SVPQPTJCGBLVET-ZDUSSCGKSA-N 1 0 392.253 2.762 20 0 GFADRO O=S(=O)(NC[C@@H]1[NH2+]CCc2ccccc21)c1ccc(F)cc1Br ZINC000261961912 553163583 /nfs/dbraw/zinc/16/35/83/553163583.db2.gz XVBRCNNZKSJSQZ-HNNXBMFYSA-N 1 0 399.285 2.754 20 0 GFADRO C[C@H](C(=O)N(C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C1C[NH2+]C1 ZINC000262007326 553164241 /nfs/dbraw/zinc/16/42/41/553164241.db2.gz RYSXUNRHZBIQRX-VIFPVBQESA-N 1 0 377.794 2.611 20 0 GFADRO O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1cc(F)c(Cl)cc1Cl ZINC000262036421 553164562 /nfs/dbraw/zinc/16/45/62/553164562.db2.gz PUZXAQGLXKPFKT-LBPRGKRZSA-N 1 0 388.192 2.698 20 0 GFADRO C[C@H]([NH3+])C1CCN(S(=O)(=O)c2cccc(Br)c2Cl)CC1 ZINC000262101811 553166115 /nfs/dbraw/zinc/16/61/15/553166115.db2.gz SYGHVVZHBLBXMJ-VIFPVBQESA-N 1 0 381.723 2.850 20 0 GFADRO O=C(C[C@H]1COCC[NH2+]1)Nc1nc2ccc(OCC(F)(F)F)cc2s1 ZINC000262239602 553167846 /nfs/dbraw/zinc/16/78/46/553167846.db2.gz RINQBQQAWUTLEV-VIFPVBQESA-N 1 0 375.372 2.554 20 0 GFADRO [NH3+]CCc1nc(C(=O)NC[C@@H](c2cccc(Cl)c2)N2CCCC2)cs1 ZINC000262323415 553169087 /nfs/dbraw/zinc/16/90/87/553169087.db2.gz CWHXSZOUYVTLGW-INIZCTEOSA-N 1 0 378.929 2.865 20 0 GFADRO C[C@H]1C[C@@H](C(=O)NC2CCN(Cc3ccc(Br)cc3)CC2)CC[NH2+]1 ZINC000262341584 553169288 /nfs/dbraw/zinc/16/92/88/553169288.db2.gz HCJSIQVEYMUCGD-HOCLYGCPSA-N 1 0 394.357 2.918 20 0 GFADRO COC(=O)C[C@@H](NC(=O)[C@H]1CC[NH2+][C@@H](C)C1)c1ccc(Br)cc1 ZINC000262376134 553169758 /nfs/dbraw/zinc/16/97/58/553169758.db2.gz KQMKXLHUPCOLIH-CORIIIEPSA-N 1 0 383.286 2.558 20 0 GFADRO C[C@@H](C(=O)Nc1ccccc1C(=O)NCC[NH3+])c1ccc(Br)s1 ZINC000262399108 553170523 /nfs/dbraw/zinc/17/05/23/553170523.db2.gz LYZCKQFZZGAJTO-SNVBAGLBSA-N 1 0 396.310 2.941 20 0 GFADRO O=C([C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1)N1CCC(n2cc(Br)cn2)CC1 ZINC000262465517 553171420 /nfs/dbraw/zinc/17/14/20/553171420.db2.gz LXXNZLWAWHFMKU-WQVCFCJDSA-N 1 0 381.318 2.730 20 0 GFADRO O=C(NCC[C@@H]1CC[NH2+]C1)[C@@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl ZINC000262593937 553172930 /nfs/dbraw/zinc/17/29/30/553172930.db2.gz SUBJWXVTJMNXEF-LRDDRELGSA-N 1 0 384.307 2.714 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CCCN(S(=O)(=O)c2cccc(Cl)c2Br)C1 ZINC000262754101 553175130 /nfs/dbraw/zinc/17/51/30/553175130.db2.gz HJDMFZFLVUXQNJ-ZJUUUORDSA-N 1 0 381.723 2.850 20 0 GFADRO Cc1c(C(=O)N2CC[NH2+][C@H](C)[C@@H]2C)cnn1-c1ccc(Br)cc1 ZINC000262744035 553175102 /nfs/dbraw/zinc/17/51/02/553175102.db2.gz JIMIUFIAHCSRIG-NEPJUHHUSA-N 1 0 377.286 2.766 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)Cc1csc(NC(=O)c2cccs2)n1 ZINC000262769106 553175250 /nfs/dbraw/zinc/17/52/50/553175250.db2.gz TWWQLEVMJDXXJF-DGCLKSJQSA-N 1 0 378.523 2.728 20 0 GFADRO C[C@H]1C[C@@H](NC(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CCCC2)CC[NH2+]1 ZINC000262788181 553175766 /nfs/dbraw/zinc/17/57/66/553175766.db2.gz CVYOSNMDINHGQW-ZFWWWQNUSA-N 1 0 384.929 2.683 20 0 GFADRO CCCN([C@@H]1CC[NH2+]C1)S(=O)(=O)c1cccc(Cl)c1Br ZINC000262797702 553176096 /nfs/dbraw/zinc/17/60/96/553176096.db2.gz ULCVCROZEWIPBP-SNVBAGLBSA-N 1 0 381.723 2.865 20 0 GFADRO C[C@H]1[NH2+]CCN(C(=O)c2ccc(I)c(Cl)c2)[C@@H]1C ZINC000262796249 553176445 /nfs/dbraw/zinc/17/64/45/553176445.db2.gz OEIVQTINGFXRLI-RKDXNWHRSA-N 1 0 378.641 2.767 20 0 GFADRO CCOc1cc(Br)c(NC(=O)C[C@H](C[NH3+])OC)cc1OCC ZINC000262972125 553180190 /nfs/dbraw/zinc/18/01/90/553180190.db2.gz XSEZZJJULLTAAW-SNVBAGLBSA-N 1 0 375.263 2.549 20 0 GFADRO COc1c(Cl)cc(NC(=O)C(=O)NC[C@H](C)C[NH+]2CCCC2)cc1Cl ZINC000263672996 553190687 /nfs/dbraw/zinc/19/06/87/553190687.db2.gz IUKYSAAITIWTGR-NSHDSACASA-N 1 0 388.295 2.789 20 0 GFADRO C[N@@H+]1CCC[C@H]1CNC(=O)C1(c2ccc(Br)cc2)CCOCC1 ZINC000263756454 553193129 /nfs/dbraw/zinc/19/31/29/553193129.db2.gz YATYGHFRAWUZIQ-INIZCTEOSA-N 1 0 381.314 2.708 20 0 GFADRO Cc1cc(S(=O)(=O)NCC[C@H]2CCC[N@@H+](C)C2)ccc1Br ZINC000416567482 563849863 /nfs/dbraw/zinc/84/98/63/563849863.db2.gz VZSHMDJSFBXUIP-CYBMUJFWSA-N 1 0 375.332 2.768 20 0 GFADRO Cc1cc(Br)c(F)cc1NC(=O)C(=O)NCCC[N@@H+](C)C(C)C ZINC000473247665 564242305 /nfs/dbraw/zinc/24/23/05/564242305.db2.gz CBSRKKQLCMHDGC-UHFFFAOYSA-N 1 0 388.281 2.682 20 0 GFADRO C[C@@H]1CN(C(=O)c2ccc(I)cc2)CC[N@@H+](C2CC2)C1 ZINC000452168042 564397703 /nfs/dbraw/zinc/39/77/03/564397703.db2.gz CVMRDWUIVIDADR-LBPRGKRZSA-N 1 0 384.261 2.848 20 0 GFADRO CC(C)NS(=O)(=O)CC[NH2+][C@@H](Cc1ccccc1Br)C1CC1 ZINC000453146411 564448266 /nfs/dbraw/zinc/44/82/66/564448266.db2.gz YAWIOAKYDNDNBX-INIZCTEOSA-N 1 0 389.359 2.688 20 0 GFADRO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)Nc1c(C)ccc(F)c1Br ZINC000453587839 564459162 /nfs/dbraw/zinc/45/91/62/564459162.db2.gz CFFDUCQGLGKYBG-LLVKDONJSA-N 1 0 388.281 2.682 20 0 GFADRO CC[NH+](CC)CC(=O)NCc1ccc(Cl)cc1I ZINC000505101085 565048484 /nfs/dbraw/zinc/04/84/84/565048484.db2.gz OTYIXTOHDVDXFL-UHFFFAOYSA-N 1 0 380.657 2.903 20 0 GFADRO [NH3+][C@@H]1CCC[C@H](NC(=O)Nc2ccc(I)cc2F)C1 ZINC000595234159 565456640 /nfs/dbraw/zinc/45/66/40/565456640.db2.gz FTKHUUYELBTZGK-ZJUUUORDSA-N 1 0 377.201 2.822 20 0 GFADRO O=S(=O)(c1cc(F)c(Br)cc1F)N(C1CC1)C1CC[NH2+]CC1 ZINC000371556614 563281438 /nfs/dbraw/zinc/28/14/38/563281438.db2.gz ZSCLGACEUYPCAK-UHFFFAOYSA-N 1 0 395.269 2.632 20 0 GFADRO C[C@@H]([NH2+][C@@H]1CCOC(C)(C)C1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000281288576 563371823 /nfs/dbraw/zinc/37/18/23/563371823.db2.gz ZWEWHJHDGKFHKM-ZYHUDNBSSA-N 1 0 391.331 2.705 20 0 GFADRO O=C(NCC1([NH+]2CCCC2)CCOCC1)c1cccc(Br)c1F ZINC000277543277 563212888 /nfs/dbraw/zinc/21/28/88/563212888.db2.gz SGWSMCADPKLDSS-UHFFFAOYSA-N 1 0 385.277 2.963 20 0 GFADRO CSCc1noc(CCC(=O)NC[C@@H]2CC[N@H+](C)[C@H]2c2cccs2)n1 ZINC000369397792 563213221 /nfs/dbraw/zinc/21/32/21/563213221.db2.gz JLJUBKHRBFAJIV-YVEFUNNKSA-N 1 0 380.539 2.736 20 0 GFADRO CC1(C)Cc2c(cccc2Br)[C@@H]1NC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000418201562 563213459 /nfs/dbraw/zinc/21/34/59/563213459.db2.gz BCUDPJLHZIQYKN-OZVIIMIRSA-N 1 0 378.314 2.933 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)NCC2(c3ccccc3Br)CCC2)CCCO1 ZINC000418217096 563213765 /nfs/dbraw/zinc/21/37/65/563213765.db2.gz PKTQNMITZYLCFE-CQSZACIVSA-N 1 0 396.329 2.630 20 0 GFADRO O=C(NCCc1ccc(Br)cc1Cl)N[C@H]1C[NH2+]CCC1(F)F ZINC000418225991 563214135 /nfs/dbraw/zinc/21/41/35/563214135.db2.gz APKZQVTXDKXDGK-LBPRGKRZSA-N 1 0 396.663 2.941 20 0 GFADRO O=C(N[C@H]1CC[NH2+]C1)N[C@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC000418219371 563214312 /nfs/dbraw/zinc/21/43/12/563214312.db2.gz NFVAFAKHPBOIDZ-NHYWBVRUSA-N 1 0 377.286 2.969 20 0 GFADRO CS(=O)(=O)N1CC[C@@H](C[NH2+]C2CC(c3cccc(Br)c3)C2)C1 ZINC000277579629 563214880 /nfs/dbraw/zinc/21/48/80/563214880.db2.gz OKNRIDJMRJROOJ-YGONEPDPSA-N 1 0 387.343 2.566 20 0 GFADRO O=C(N[C@@H]1CCc2c1ccc(F)c2Br)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000418250814 563214903 /nfs/dbraw/zinc/21/49/03/563214903.db2.gz LRHWROGRTZHWEE-UEKVPHQBSA-N 1 0 382.277 2.826 20 0 GFADRO [NH3+]C1(CNC(=O)N(CCO)Cc2ccc(Br)s2)CCCCC1 ZINC000418312156 563215776 /nfs/dbraw/zinc/21/57/76/563215776.db2.gz GTSOXMSZAMIWMY-UHFFFAOYSA-N 1 0 390.347 2.676 20 0 GFADRO [NH3+]C[C@@H](NC(=O)N[C@@H](CO)c1ccc(Br)cc1)C1CCCCC1 ZINC000418390284 563216257 /nfs/dbraw/zinc/21/62/57/563216257.db2.gz URSCUENICZWIMO-CVEARBPZSA-N 1 0 384.318 2.689 20 0 GFADRO CC[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)NCC(C)(C)[NH3+])CC1 ZINC000418413107 563217066 /nfs/dbraw/zinc/21/70/66/563217066.db2.gz JBACZBLTMPHIDT-INIZCTEOSA-N 1 0 397.361 2.965 20 0 GFADRO [NH3+][C@H](CNC(=O)N(CCO)Cc1cccc(Br)c1)c1ccccc1 ZINC000418428780 563217728 /nfs/dbraw/zinc/21/77/28/563217728.db2.gz MXMAUTAHDSEYTO-QGZVFWFLSA-N 1 0 392.297 2.653 20 0 GFADRO CCC[NH2+]CCNC(=O)N(CCNC(C)=O)Cc1ccc(Cl)cc1Cl ZINC000418473690 563218024 /nfs/dbraw/zinc/21/80/24/563218024.db2.gz NUQMYPIIYXGUJP-UHFFFAOYSA-N 1 0 389.327 2.641 20 0 GFADRO O=C(NCC1=CC[NH2+]CC1)N1CC[C@@H](Cc2ccc(Br)cc2)C1 ZINC000418538453 563220104 /nfs/dbraw/zinc/22/01/04/563220104.db2.gz LDXJBOCYFOUFSL-INIZCTEOSA-N 1 0 378.314 2.943 20 0 GFADRO C[C@H](CC[NH3+])NC(=O)N(Cc1cccc(Br)c1)C1CCOCC1 ZINC000418563270 563220350 /nfs/dbraw/zinc/22/03/50/563220350.db2.gz SGLKWDKIUSTLPG-CYBMUJFWSA-N 1 0 384.318 2.877 20 0 GFADRO [NH3+][C@H]1CCC[C@H](NC(=O)NCc2noc(-c3cccc(Br)c3)n2)C1 ZINC000418584246 563220849 /nfs/dbraw/zinc/22/08/49/563220849.db2.gz OCKXINVPGOGSGU-STQMWFEESA-N 1 0 394.273 2.568 20 0 GFADRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)NC(C)(C)COc1ncc(Cl)cc1Cl ZINC000418606495 563221284 /nfs/dbraw/zinc/22/12/84/563221284.db2.gz ZKLYUGLQDFGNOA-GXFFZTMASA-N 1 0 375.300 2.843 20 0 GFADRO COc1ccc(Br)c(C(=O)NCCC[NH2+][C@@H]2CSC[C@H]2C)c1 ZINC000294916362 563221675 /nfs/dbraw/zinc/22/16/75/563221675.db2.gz CLJGUQGZAZSXNM-IAQYHMDHSA-N 1 0 387.343 2.919 20 0 GFADRO CN1CC[NH2+]C[C@@H]1CNC(=O)N1CCC(c2ccc(Cl)cc2Cl)CC1 ZINC000418751388 563224493 /nfs/dbraw/zinc/22/44/93/563224493.db2.gz AJBWNJYCHCPLBF-OAHLLOKOSA-N 1 0 385.339 2.786 20 0 GFADRO Cc1cc([C@H]2CCCN2C(=O)NC[C@@H]2C[NH2+]CCO2)ccc1Br ZINC000418766234 563224858 /nfs/dbraw/zinc/22/48/58/563224858.db2.gz MTJPIEWHQOJSOJ-GOEBONIOSA-N 1 0 382.302 2.592 20 0 GFADRO [NH3+]C[C@@H]1CC[C@H](NC(=O)N[C@H](CO)c2ccc(Cl)cc2C(F)(F)F)C1 ZINC000418794045 563225710 /nfs/dbraw/zinc/22/57/10/563225710.db2.gz QRKDPUIMBLQQLG-OLUVUFQESA-N 1 0 379.810 2.819 20 0 GFADRO C[C@H](NC(=O)C(=O)NCC1(C)CC[NH2+]CC1)c1cc(F)c(Cl)cc1Cl ZINC000418848172 563227080 /nfs/dbraw/zinc/22/70/80/563227080.db2.gz KVESKCWVXJPLAH-JTQLQIEISA-N 1 0 390.286 2.816 20 0 GFADRO C[C@H](NC(=O)C(=O)N[C@@H]1CC[NH2+][C@H](C)C1)c1cc(F)c(Cl)cc1Cl ZINC000418848508 563227294 /nfs/dbraw/zinc/22/72/94/563227294.db2.gz LMGDVVURZUQLEQ-KXUCPTDWSA-N 1 0 376.259 2.566 20 0 GFADRO O=C(N[C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)C1)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000418891925 563229520 /nfs/dbraw/zinc/22/95/20/563229520.db2.gz MRYUKJKHUWUZRZ-MGPQQGTHSA-N 1 0 384.307 2.614 20 0 GFADRO C[NH2+]C1CCN(C(=O)C(=O)N[C@H]2C[C@H](c3ccc(Cl)c(Cl)c3)C2)CC1 ZINC000418887867 563229623 /nfs/dbraw/zinc/22/96/23/563229623.db2.gz DZLBEZRVJCMIQJ-MQMHXKEQSA-N 1 0 384.307 2.566 20 0 GFADRO CC[C@@H](NC(=O)C(=O)N(CC[NH3+])Cc1ccccc1)c1ccc(Cl)s1 ZINC000419036421 563232700 /nfs/dbraw/zinc/23/27/00/563232700.db2.gz GUTJFDWAEWZSGV-CQSZACIVSA-N 1 0 379.913 2.956 20 0 GFADRO C[NH2+]CCCN(C)C(=O)C(=O)NCC1(c2c(Cl)cccc2Cl)CCC1 ZINC000419173072 563234804 /nfs/dbraw/zinc/23/48/04/563234804.db2.gz LDQGXOLHRNWVQR-UHFFFAOYSA-N 1 0 386.323 2.599 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)c2c(Br)cnn2C)C[N@@H+]1Cc1ccccc1 ZINC000295196376 563234857 /nfs/dbraw/zinc/23/48/57/563234857.db2.gz VMWPIZOVZOSKNZ-TZMCWYRMSA-N 1 0 377.286 2.575 20 0 GFADRO CCCN(C(=O)C(=O)N[C@H]1CCSc2ccc(Cl)cc21)[C@@H]1CC[NH2+]C1 ZINC000419250016 563235498 /nfs/dbraw/zinc/23/54/98/563235498.db2.gz YULJZYMGDRDVOL-HIFRSBDPSA-N 1 0 381.929 2.594 20 0 GFADRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)N[C@@H]1CCSc2ccc(Cl)cc21 ZINC000419204256 563235502 /nfs/dbraw/zinc/23/55/02/563235502.db2.gz GPEUTMLKJOEIII-TUKIKUTGSA-N 1 0 381.929 2.627 20 0 GFADRO C[C@H](NC(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1)c1cccc(Cl)c1Cl ZINC000419256195 563235635 /nfs/dbraw/zinc/23/56/35/563235635.db2.gz XHDVEWWBPGPAAP-TZQJONAQSA-N 1 0 384.307 2.756 20 0 GFADRO C[C@@H]1CN(Cc2coc(-c3ccc(Br)cc3)n2)[C@@H](C)C[N@@H+]1CCO ZINC000419328874 563237123 /nfs/dbraw/zinc/23/71/23/563237123.db2.gz OZYAZTVSXNOWRR-KGLIPLIRSA-N 1 0 394.313 2.991 20 0 GFADRO CC(C)(CNC(=O)C(=O)N[C@H]1CCC[C@H]([NH3+])C1)c1ccc(Cl)c(Cl)c1 ZINC000419354706 563238682 /nfs/dbraw/zinc/23/86/82/563238682.db2.gz FAJWFDFWURRCCU-STQMWFEESA-N 1 0 386.323 2.773 20 0 GFADRO C[C@H]([NH3+])C1CCN(C(=O)[C@@H]2CCN(c3cc(Cl)cc(Cl)c3)C2=O)CC1 ZINC000370271956 563238735 /nfs/dbraw/zinc/23/87/35/563238735.db2.gz ZNZPPXWBMFCXER-ZBEGNZNMSA-N 1 0 384.307 2.932 20 0 GFADRO O=C(NCc1cccc(Br)c1)N1CCC[C@@H]1C[N@H+]1CCC[C@@H]1CO ZINC000370297071 563239578 /nfs/dbraw/zinc/23/95/78/563239578.db2.gz AUGRGYCTKKZNCH-IAGOWNOFSA-N 1 0 396.329 2.580 20 0 GFADRO C[C@@H]([NH3+])C1CCN(C(=O)C(=O)NC[C@H](C)c2c(Cl)cccc2Cl)CC1 ZINC000419521731 563241256 /nfs/dbraw/zinc/24/12/56/563241256.db2.gz SCNYWMXDXPEKBO-NWDGAFQWSA-N 1 0 386.323 2.799 20 0 GFADRO COC[C@@H](C)OC[C@@H](O)C[N@H+](CCCO)Cc1ccc(Cl)c(Cl)c1 ZINC000278125948 563241797 /nfs/dbraw/zinc/24/17/97/563241797.db2.gz VLCGSIKBPRPINU-HIFRSBDPSA-N 1 0 380.312 2.590 20 0 GFADRO Cc1cc(Br)ccc1C(=O)N1CCC([NH2+]C[C@@H](C)CCO)CC1 ZINC000370382975 563241921 /nfs/dbraw/zinc/24/19/21/563241921.db2.gz YNJBZLXVKAQMGH-ZDUSSCGKSA-N 1 0 383.330 2.970 20 0 GFADRO C[C@H](NC(=O)C(=O)N1CC[NH2+]CC1)c1ccc(-c2ccc(Cl)cc2)s1 ZINC000419607855 563243453 /nfs/dbraw/zinc/24/34/53/563243453.db2.gz BLVONYWPXMTFDL-LBPRGKRZSA-N 1 0 377.897 2.678 20 0 GFADRO Cc1nc(NC(=O)N2CCC[C@@H]2C[N@@H+]2CCC[C@H]2CO)ccc1Br ZINC000370419247 563243496 /nfs/dbraw/zinc/24/34/96/563243496.db2.gz UETJKRWFXNBGHN-KGLIPLIRSA-N 1 0 397.317 2.606 20 0 GFADRO C[NH2+]CCC1CCN(C(=O)C(=O)NCc2cc(Cl)sc2Cl)CC1 ZINC000419617174 563243944 /nfs/dbraw/zinc/24/39/44/563243944.db2.gz AAJBYXYRBUNLPO-UHFFFAOYSA-N 1 0 378.325 2.519 20 0 GFADRO COc1cnccc1[C@H](C)[NH2+]C1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000370478543 563245101 /nfs/dbraw/zinc/24/51/01/563245101.db2.gz ZYPLCCOPQUGRFQ-ZDUSSCGKSA-N 1 0 381.523 2.656 20 0 GFADRO C[C@H]1C[C@H](NC(=O)C2(c3ccc(Br)cc3)CCOCC2)CC[NH2+]1 ZINC000278233357 563246255 /nfs/dbraw/zinc/24/62/55/563246255.db2.gz KLAHFSYTWZVABF-XJKSGUPXSA-N 1 0 381.314 2.754 20 0 GFADRO CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1([NH3+])C(=O)NCc1ccc(F)cc1Br ZINC000370516791 563246629 /nfs/dbraw/zinc/24/66/29/563246629.db2.gz FNFVGQNCQPGQOG-DXCKQFNASA-N 1 0 385.277 2.737 20 0 GFADRO Cc1c2cc(Cl)ccc2sc1CNC(=O)C(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000419698894 563246691 /nfs/dbraw/zinc/24/66/91/563246691.db2.gz ASRYOCYOUQYGDK-HZMBPMFUSA-N 1 0 379.913 2.594 20 0 GFADRO Cc1c2cc(Cl)ccc2sc1CNC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000419698896 563246902 /nfs/dbraw/zinc/24/69/02/563246902.db2.gz ASRYOCYOUQYGDK-QMTHXVAHSA-N 1 0 379.913 2.594 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+]C[C@@H]2CCC(F)(F)C2)cc1Br ZINC000419723537 563248315 /nfs/dbraw/zinc/24/83/15/563248315.db2.gz GHXWVMAUZCPHFY-SNVBAGLBSA-N 1 0 383.258 2.622 20 0 GFADRO Cn1ncc(Br)c1CNc1ccccc1C[NH+]1CCC(CO)CC1 ZINC000278343987 563251073 /nfs/dbraw/zinc/25/10/73/563251073.db2.gz HCEHCIISTDGFNW-UHFFFAOYSA-N 1 0 393.329 2.999 20 0 GFADRO Cn1ncc(Br)c1CNC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000278362688 563251885 /nfs/dbraw/zinc/25/18/85/563251885.db2.gz JANIJPPNZBAEJE-INIZCTEOSA-N 1 0 377.330 2.837 20 0 GFADRO COc1ccc(CC[NH2+]Cc2c(Br)cnn2C)c(OC)c1OC ZINC000278366208 563251915 /nfs/dbraw/zinc/25/19/15/563251915.db2.gz JLDQIKSDDXWWMO-UHFFFAOYSA-N 1 0 384.274 2.541 20 0 GFADRO [NH3+]C1CCC(NC(=O)C(=O)N(Cc2cccs2)Cc2cccs2)CC1 ZINC000419860141 563252370 /nfs/dbraw/zinc/25/23/70/563252370.db2.gz AIJAOHBIKNMSDC-UHFFFAOYSA-N 1 0 377.535 2.725 20 0 GFADRO O=C(NCCC[NH2+]C1CCCCC1)c1cncc(I)c1 ZINC000419925238 563253298 /nfs/dbraw/zinc/25/32/98/563253298.db2.gz SLMGPGNRWDIIKL-UHFFFAOYSA-N 1 0 387.265 2.728 20 0 GFADRO O=C(N[C@H]1CCC[N@@H+](CCCO)C1)c1cc(Cl)ccc1Br ZINC000295561310 563253868 /nfs/dbraw/zinc/25/38/68/563253868.db2.gz UIFKBYOQFFGJSV-LBPRGKRZSA-N 1 0 375.694 2.679 20 0 GFADRO C[NH+](C)CC[C@](C)(O)CNC(=O)C1(Cc2ccccc2Br)CC1 ZINC000419991075 563255396 /nfs/dbraw/zinc/25/53/96/563255396.db2.gz GLXXNYSGPVHFGD-KRWDZBQOSA-N 1 0 383.330 2.591 20 0 GFADRO O=C(C[C@H]1Sc2ccc(Cl)cc2NC1=O)N(C1CC1)C1CC[NH2+]CC1 ZINC000370793770 563255453 /nfs/dbraw/zinc/25/54/53/563255453.db2.gz QEPKFCQDWAJBSJ-MRXNPFEDSA-N 1 0 379.913 2.886 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2C(=O)c1ccc(Br)cc1F ZINC000370823898 563256478 /nfs/dbraw/zinc/25/64/78/563256478.db2.gz MLFZNUCWJFNKMT-UHOFOFEASA-N 1 0 385.277 2.912 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2S(=O)(=O)c1cccc(Cl)c1Cl ZINC000370848319 563258150 /nfs/dbraw/zinc/25/81/50/563258150.db2.gz YMJKKMPSTFHQBR-KWCYVHTRSA-N 1 0 393.336 2.866 20 0 GFADRO CC(C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)N[C@H]1CC[NH2+][C@@H](C)C1 ZINC000420142172 563258680 /nfs/dbraw/zinc/25/86/80/563258680.db2.gz ZYUUJOWAGNQISS-JSGCOSHPSA-N 1 0 386.323 2.987 20 0 GFADRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N(Cc1ccc(Cl)c(Cl)c1)C1CC1 ZINC000420125811 563258857 /nfs/dbraw/zinc/25/88/57/563258857.db2.gz TWKZRMFOSLBDBS-MEDUHNTESA-N 1 0 384.307 2.599 20 0 GFADRO O=CN1CCC([NH2+]Cc2ccc(Cl)cc2I)CC1 ZINC000278504554 563259283 /nfs/dbraw/zinc/25/92/83/563259283.db2.gz QVXFLRGUTSAIPA-UHFFFAOYSA-N 1 0 378.641 2.655 20 0 GFADRO Cc1cn2c(n1)[C@@H](CNC(=O)c1sccc1S(=O)(=O)C(F)F)CCC2 ZINC000370951807 563260661 /nfs/dbraw/zinc/26/06/61/563260661.db2.gz BEKHHNDBPABHTJ-SNVBAGLBSA-N 1 0 389.449 2.557 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH2+]C[C@]1(O)CCO[C@H]1C ZINC000278589121 563262468 /nfs/dbraw/zinc/26/24/68/563262468.db2.gz GQVUDBXTAXGSGT-KBXCAEBGSA-N 1 0 394.313 2.881 20 0 GFADRO C[C@H](O)C[N@@H+]1CCN(C(=O)Nc2ccc(OC(F)F)c(Cl)c2)[C@@H](C)C1 ZINC000278575521 563262596 /nfs/dbraw/zinc/26/25/96/563262596.db2.gz JQFBBTOUVBEHLI-QWRGUYRKSA-N 1 0 377.819 2.860 20 0 GFADRO CC1(C)C[NH2+]CC[C@H]1NCC(=O)Nc1c(F)cc(F)cc1Br ZINC000420357300 563263179 /nfs/dbraw/zinc/26/31/79/563263179.db2.gz HEASISBHRZHOPN-GFCCVEGCSA-N 1 0 376.245 2.644 20 0 GFADRO [NH3+]C[C@@H]1CC[C@H](NS(=O)(=O)Cc2ccc(Cl)cc2Br)C1 ZINC000420452925 563263601 /nfs/dbraw/zinc/26/36/01/563263601.db2.gz JLHLRRGGQXMGJE-SKDRFNHKSA-N 1 0 381.723 2.649 20 0 GFADRO CCCOc1c(Br)cc(C[NH2+]C[C@@]2(O)CCO[C@H]2C)cc1OC ZINC000278632592 563264284 /nfs/dbraw/zinc/26/42/84/563264284.db2.gz KTGFCGGOYCTOHY-SJCJKPOMSA-N 1 0 388.302 2.876 20 0 GFADRO CC(C)(C)c1nc2ccc(S(=O)(=O)N[C@H](CC[NH3+])C(F)F)cc2s1 ZINC000420471692 563265078 /nfs/dbraw/zinc/26/50/78/563265078.db2.gz YQYJEVVCKPDTFH-LLVKDONJSA-N 1 0 377.482 2.855 20 0 GFADRO COCCOC1(C[NH2+][C@@H](C)c2ncc(Br)cc2F)CCOCC1 ZINC000295851971 563265604 /nfs/dbraw/zinc/26/56/04/563265604.db2.gz BBSUCTWZXOKLHH-LBPRGKRZSA-N 1 0 391.281 2.846 20 0 GFADRO C[C@@H](SCC[NH+](C)C)C(=O)N1CC(=O)Nc2cc(C(F)(F)F)ccc21 ZINC000371120346 563265861 /nfs/dbraw/zinc/26/58/61/563265861.db2.gz QUWIBXJFPAXNGZ-SNVBAGLBSA-N 1 0 375.416 2.674 20 0 GFADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+]C[C@H](OC)C(C)C ZINC000295894868 563267136 /nfs/dbraw/zinc/26/71/36/563267136.db2.gz YSBSHFDCGBVAPX-WBMJQRKESA-N 1 0 387.318 2.723 20 0 GFADRO COc1ccc(Cl)cc1S(=O)(=O)NC1CC[NH+](CCOC(C)C)CC1 ZINC000278752124 563269046 /nfs/dbraw/zinc/26/90/46/563269046.db2.gz JMIDXEYHHLKGRW-UHFFFAOYSA-N 1 0 390.933 2.516 20 0 GFADRO CCCOC[C@H](Cc1cccc(Br)c1)[NH2+]C1CCN(C=O)CC1 ZINC000278783165 563270791 /nfs/dbraw/zinc/27/07/91/563270791.db2.gz QAWGQIBKQZTUEA-SFHVURJKSA-N 1 0 383.330 2.997 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2cc(F)ccc2OC(F)F)[C@@H](C)C1 ZINC000420667034 563271754 /nfs/dbraw/zinc/27/17/54/563271754.db2.gz CUFRHVYOIDWMKW-WCQYABFASA-N 1 0 380.432 2.778 20 0 GFADRO CN(C[C@H]1CCC[N@H+](C)C1)S(=O)(=O)c1cc(Cl)ccc1OC(F)F ZINC000420682628 563273748 /nfs/dbraw/zinc/27/37/48/563273748.db2.gz VEXAWKCSOWGEGN-NSHDSACASA-N 1 0 382.860 2.904 20 0 GFADRO COc1ccc(Br)c(C(=O)N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)c1 ZINC000278847708 563273852 /nfs/dbraw/zinc/27/38/52/563273852.db2.gz LRPPCXDRWCZRMP-ZDUSSCGKSA-N 1 0 397.313 2.783 20 0 GFADRO C[N@@H+]1CCC[C@H](N2CCN(CCOc3ccccc3Br)CC2)C1 ZINC000371360707 563273945 /nfs/dbraw/zinc/27/39/45/563273945.db2.gz IYPKKFQIWYBVSA-INIZCTEOSA-N 1 0 382.346 2.540 20 0 GFADRO CNS(=O)(=O)c1ccc(NC[C@@H]2CC[N@H+](C)[C@@H]2c2cccs2)c(F)c1 ZINC000371357176 563274448 /nfs/dbraw/zinc/27/44/48/563274448.db2.gz HHIFGPLGTLBUBJ-SJCJKPOMSA-N 1 0 383.514 2.900 20 0 GFADRO C[C@H](Cc1ccc(Br)cc1)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000371370836 563275221 /nfs/dbraw/zinc/27/52/21/563275221.db2.gz ZEDZYFDSSBRLOB-XYPHTWIQSA-N 1 0 381.314 2.607 20 0 GFADRO CC[C@H](NC(=O)NC[C@@H]1CC[N@H+](C)[C@@H]1c1cccs1)[C@@H](O)C(F)(F)F ZINC000371384049 563275980 /nfs/dbraw/zinc/27/59/80/563275980.db2.gz IGCHPIBLQOFYMQ-AUZPSNTRSA-N 1 0 379.448 2.742 20 0 GFADRO C[NH+](C)C1CCN(C(=O)[C@@H]2CCCN(c3ccc(Br)cn3)C2)CC1 ZINC000371463414 563278349 /nfs/dbraw/zinc/27/83/49/563278349.db2.gz WJBKUYBQFKPZNA-CQSZACIVSA-N 1 0 395.345 2.613 20 0 GFADRO C[N@H+]1CC=C(CNC(=O)N[C@H]2CCN(c3ccccc3Br)C2)CC1 ZINC000371515247 563280258 /nfs/dbraw/zinc/28/02/58/563280258.db2.gz UPSIOBGYJARZPR-HNNXBMFYSA-N 1 0 393.329 2.589 20 0 GFADRO CN(C[C@@H]1CCC[N@@H+]1C)S(=O)(=O)c1cccc(Br)c1Cl ZINC000420735897 563281076 /nfs/dbraw/zinc/28/10/76/563281076.db2.gz KNOLMTKUCHAZKZ-JTQLQIEISA-N 1 0 381.723 2.817 20 0 GFADRO COc1ccc(S(=O)(=O)NC2CCC([NH+](C)C)CC2)cc1Br ZINC000420746074 563282087 /nfs/dbraw/zinc/28/20/87/563282087.db2.gz MVIGHKGWDWNIEO-UHFFFAOYSA-N 1 0 391.331 2.609 20 0 GFADRO Cc1ccc(Br)c(S(=O)(=O)NC2CCC([NH+](C)C)CC2)c1 ZINC000420750299 563283070 /nfs/dbraw/zinc/28/30/70/563283070.db2.gz UEHBWNYSJYELNM-UHFFFAOYSA-N 1 0 375.332 2.909 20 0 GFADRO COC[C@@H]([NH2+]CC(=O)Nc1ccc(Br)cc1Cl)[C@H]1CCCO1 ZINC000279086330 563283256 /nfs/dbraw/zinc/28/32/56/563283256.db2.gz ORNFLYGKZSATIC-ZIAGYGMSSA-N 1 0 391.693 2.825 20 0 GFADRO C[NH+](C)C1CCC(NS(=O)(=O)c2ccc(Br)cc2F)CC1 ZINC000420753444 563283461 /nfs/dbraw/zinc/28/34/61/563283461.db2.gz ZUYXPVOHNQQWAR-UHFFFAOYSA-N 1 0 379.295 2.739 20 0 GFADRO Cc1nn(C)c(C[NH2+]CCCC(=O)N2Cc3ccccc3C2)c1Br ZINC000279180815 563286404 /nfs/dbraw/zinc/28/64/04/563286404.db2.gz RUKFHLHOTMUFMN-UHFFFAOYSA-N 1 0 391.313 2.903 20 0 GFADRO Cc1ccc(F)c(C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)c1Br ZINC000279253547 563289295 /nfs/dbraw/zinc/28/92/95/563289295.db2.gz UTCFCIBUKHKHOC-ZDUSSCGKSA-N 1 0 385.277 2.691 20 0 GFADRO Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)[NH2+]C[C@@]1(O)CCS(=O)(=O)C1 ZINC000296558703 563292112 /nfs/dbraw/zinc/29/21/12/563292112.db2.gz SCDJIHLUPNNYHC-ACJLOTCBSA-N 1 0 380.535 2.627 20 0 GFADRO CN(Cc1cc(Br)cs1)C(=O)C[N@@H+]1CCC[C@H](CCO)CC1 ZINC000421007645 563293275 /nfs/dbraw/zinc/29/32/75/563293275.db2.gz COYVOELLVIEPPL-ZDUSSCGKSA-N 1 0 389.359 2.954 20 0 GFADRO COC1([C@@H](C)[NH2+]CC(=O)Nc2nc(-c3cccs3)cs2)CCOCC1 ZINC000421027565 563293332 /nfs/dbraw/zinc/29/33/32/563293332.db2.gz GRRCCKHJKIHSFH-GFCCVEGCSA-N 1 0 381.523 2.984 20 0 GFADRO O[C@H](COc1ccc(Cl)cc1Br)C[N@@H+]1CC[C@]12CCOC2 ZINC000421027088 563293584 /nfs/dbraw/zinc/29/35/84/563293584.db2.gz UJCRYTJQEGWUPQ-SWLSCSKDSA-N 1 0 376.678 2.707 20 0 GFADRO COC[C@@]1(C)CC[N@H+](CC(=O)Nc2cccc(I)c2)C1 ZINC000296642618 563295458 /nfs/dbraw/zinc/29/54/58/563295458.db2.gz IJVXQBAUASQEAS-HNNXBMFYSA-N 1 0 388.249 2.588 20 0 GFADRO CON1CCC([NH2+][C@@H]2CCCN(c3ccc(Br)c(C)c3)C2=O)CC1 ZINC000421211655 563300674 /nfs/dbraw/zinc/30/06/74/563300674.db2.gz VINWUXRYLLNRNN-QGZVFWFLSA-N 1 0 396.329 2.868 20 0 GFADRO [NH3+][C@H]1CN(C(=O)c2ccncc2Br)CC[C@H]1c1ccc(F)cc1 ZINC000296858599 563305431 /nfs/dbraw/zinc/30/54/31/563305431.db2.gz DDMKEXOPSXLHRZ-BBRMVZONSA-N 1 0 378.245 2.940 20 0 GFADRO Brc1cnc(C[NH2+][C@@H]2CCc3c[nH]nc3C2)c(Br)c1 ZINC000372478681 563307878 /nfs/dbraw/zinc/30/78/78/563307878.db2.gz VNEXVXUWGZCAKQ-SNVBAGLBSA-N 1 0 386.091 2.977 20 0 GFADRO NC(=O)CC1(C[NH2+]Cc2cc(Br)cc(Br)c2)CC1 ZINC000421353364 563308758 /nfs/dbraw/zinc/30/87/58/563308758.db2.gz SMSZVPFCXJREKE-UHFFFAOYSA-N 1 0 376.092 2.957 20 0 GFADRO CCOCCOc1ccc(Br)cc1C[NH2+]C1CCN(OC)CC1 ZINC000421391964 563309629 /nfs/dbraw/zinc/30/96/29/563309629.db2.gz BCAZORKPLWJRML-UHFFFAOYSA-N 1 0 387.318 2.980 20 0 GFADRO OCCOC1(C[NH2+][C@H]2CCc3c2ccc(F)c3Br)CCOCC1 ZINC000296951100 563309675 /nfs/dbraw/zinc/30/96/75/563309675.db2.gz TZGRVGJOQBUDSG-HNNXBMFYSA-N 1 0 388.277 2.723 20 0 GFADRO C[N@@H+]1CCC[C@@H](CNS(=O)(=O)Cc2ccon2)[C@@H]1c1cccc(Cl)c1 ZINC000372625624 563312778 /nfs/dbraw/zinc/31/27/78/563312778.db2.gz OBDMRWCTZLVCMK-YOEHRIQHSA-N 1 0 383.901 2.831 20 0 GFADRO O=S(=O)(NCC1CC[NH+](C2CC2)CC1)c1ccc(OC(F)F)c(F)c1 ZINC000279908007 563314289 /nfs/dbraw/zinc/31/42/89/563314289.db2.gz VNMYZKRBPPPDOS-UHFFFAOYSA-N 1 0 378.416 2.580 20 0 GFADRO C[C@H](Sc1ccc(Br)cc1)C(=O)NCCN1CCC(O)CC1 ZINC000297073509 563314836 /nfs/dbraw/zinc/31/48/36/563314836.db2.gz VMMYSQDDPSUTQJ-LBPRGKRZSA-N 1 0 387.343 2.503 20 0 GFADRO C[C@H](CNC(=O)c1csc(CC[NH3+])n1)Oc1ccc(Br)cc1 ZINC000279957745 563316584 /nfs/dbraw/zinc/31/65/84/563316584.db2.gz UREMLLCHGLHDGC-SNVBAGLBSA-N 1 0 384.299 2.604 20 0 GFADRO O=C(c1ccc(F)c(I)c1)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000372785618 563317298 /nfs/dbraw/zinc/31/72/98/563317298.db2.gz HFTHWPRGPKXNIE-LBPRGKRZSA-N 1 0 388.224 2.741 20 0 GFADRO CC(C)n1ncc2c1C[C@@H]([NH2+][C@@H](C(N)=O)c1ccc(Br)cc1)CC2 ZINC000372790792 563318017 /nfs/dbraw/zinc/31/80/17/563318017.db2.gz PHUVFRAKKXFKHL-DOTOQJQBSA-N 1 0 391.313 2.900 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCC[C@H]1CCO)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000279996179 563318184 /nfs/dbraw/zinc/31/81/84/563318184.db2.gz FQEZPKJYLHPWOF-PKFCDNJMSA-N 1 0 381.325 2.843 20 0 GFADRO CC(C)n1ncc2c1C[C@H]([NH2+][C@H](C(N)=O)c1ccc(Br)cc1)CC2 ZINC000372790795 563318238 /nfs/dbraw/zinc/31/82/38/563318238.db2.gz PHUVFRAKKXFKHL-WBVHZDCISA-N 1 0 391.313 2.900 20 0 GFADRO C[C@H]1CN(C(=O)c2cccc(Br)c2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000372856173 563320146 /nfs/dbraw/zinc/32/01/46/563320146.db2.gz IXUSGKORZJJKJP-YOEHRIQHSA-N 1 0 380.330 2.547 20 0 GFADRO Cc1noc(CCC[NH2+][C@@H](C)c2cc(S(N)(=O)=O)c(Cl)cc2Cl)n1 ZINC000280067968 563320808 /nfs/dbraw/zinc/32/08/08/563320808.db2.gz KWWDLUQIAQOLAX-QMMMGPOBSA-N 1 0 393.296 2.616 20 0 GFADRO C[NH+]1CCC([C@@H]2CCN(C(=O)c3sccc3S(=O)(=O)C(F)F)C2)CC1 ZINC000372886382 563321448 /nfs/dbraw/zinc/32/14/48/563321448.db2.gz XPLDXBXGBHTAMR-GFCCVEGCSA-N 1 0 392.493 2.548 20 0 GFADRO COc1cc(Cl)ccc1[C@H](C)[NH2+]C[C@H](O)CS(=O)(=O)c1cccs1 ZINC000421832876 563322395 /nfs/dbraw/zinc/32/23/95/563322395.db2.gz IABUJRGJBTVASU-AAEUAGOBSA-N 1 0 389.926 2.896 20 0 GFADRO Cn1nc(Br)cc1C(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000372940472 563323702 /nfs/dbraw/zinc/32/37/02/563323702.db2.gz NDQHFZSKLJZGKU-UHFFFAOYSA-N 1 0 383.334 2.957 20 0 GFADRO O=C(NCC1CC[NH2+]CC1)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1 ZINC000297340314 563323724 /nfs/dbraw/zinc/32/37/24/563323724.db2.gz YJYFEJFPRPVEBK-UHFFFAOYSA-N 1 0 384.929 2.542 20 0 GFADRO O=C(N[C@H]1CCC[NH2+]C1)[C@@H]1CCCN1c1ncc(C(F)(F)F)cc1Cl ZINC000373026816 563326433 /nfs/dbraw/zinc/32/64/33/563326433.db2.gz BXPPBYBYEVKPPE-AAEUAGOBSA-N 1 0 376.810 2.591 20 0 GFADRO Cc1csc([C@H](NC(=O)Nc2ccnn2CC[NH+](C)C)C(F)(F)F)n1 ZINC000297478497 563327135 /nfs/dbraw/zinc/32/71/35/563327135.db2.gz RYBWTIHYNAGIMN-NSHDSACASA-N 1 0 376.408 2.635 20 0 GFADRO CC[NH+]1CCC(N2CCCN(C(=O)c3occc3Br)CC2)CC1 ZINC000422017595 563328280 /nfs/dbraw/zinc/32/82/80/563328280.db2.gz JLGZPTZILQNSSZ-UHFFFAOYSA-N 1 0 384.318 2.674 20 0 GFADRO COc1ccc2c(c1)[C@H]([NH3+])CCN2S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000373182952 563330965 /nfs/dbraw/zinc/33/09/65/563330965.db2.gz MWAARTUFNSDVKG-CYBMUJFWSA-N 1 0 388.276 2.996 20 0 GFADRO Cc1cc(Br)cn2cc(CCNC(=O)[C@H]3CCC[N@@H+]3C3CC3)nc12 ZINC000280294461 563331068 /nfs/dbraw/zinc/33/10/68/563331068.db2.gz QGNJDLGMZMDHMB-MRXNPFEDSA-N 1 0 391.313 2.691 20 0 GFADRO COc1ccc(Br)c(CNc2ccn(C3CC[NH+](C)CC3)n2)c1 ZINC000373314233 563334513 /nfs/dbraw/zinc/33/45/13/563334513.db2.gz VMNIGULXXWPPAK-UHFFFAOYSA-N 1 0 379.302 3.533 20 0 GFADRO COc1c(Br)cccc1C[NH2+][C@@H]1CCN(C(=O)c2cccnc2)C1 ZINC000373450550 563338749 /nfs/dbraw/zinc/33/87/49/563338749.db2.gz ACXFIJVYSPDTEM-OAHLLOKOSA-N 1 0 390.281 2.857 20 0 GFADRO CN(Cc1cc(Br)cn1C)C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000373493636 563340143 /nfs/dbraw/zinc/34/01/43/563340143.db2.gz IVIWLMZPHLKPOE-UHFFFAOYSA-N 1 0 383.334 2.946 20 0 GFADRO CCS(=O)(=O)c1ccc(C[NH2+]C2CCN(Cc3cccnc3)CC2)s1 ZINC000373492943 563340289 /nfs/dbraw/zinc/34/02/89/563340289.db2.gz GIJFFERTEKWMOK-UHFFFAOYSA-N 1 0 379.551 2.691 20 0 GFADRO O=C(Nc1cc(Br)c(F)cc1F)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000297925575 563340343 /nfs/dbraw/zinc/34/03/43/563340343.db2.gz VECPJMHYZLADKK-JTQLQIEISA-N 1 0 392.244 2.696 20 0 GFADRO [NH3+]CC[C@@H]1CN(S(=O)(=O)c2c(Cl)nc3ccccn32)c2ccccc21 ZINC000373532885 563341604 /nfs/dbraw/zinc/34/16/04/563341604.db2.gz VJZYLVZUXJPXAZ-GFCCVEGCSA-N 1 0 376.869 2.629 20 0 GFADRO CCOc1cc(C[NH2+][C@H]2CCO[C@@H]2c2nccn2C)cc(Br)c1O ZINC000298047294 563342909 /nfs/dbraw/zinc/34/29/09/563342909.db2.gz IDWSDLATKMOWDA-BBRMVZONSA-N 1 0 396.285 2.907 20 0 GFADRO C[C@@H]1C[C@H](C)N(S(=O)(=O)c2ccc(F)c(Br)c2)C[C@@H]1C[NH3+] ZINC000422555506 563342921 /nfs/dbraw/zinc/34/29/21/563342921.db2.gz QDOYCWHWJKHMIA-VWYCJHECSA-N 1 0 379.295 2.582 20 0 GFADRO COc1c(Br)cccc1CN1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000373583226 563343179 /nfs/dbraw/zinc/34/31/79/563343179.db2.gz MWEVLLQYKLBEBU-INIZCTEOSA-N 1 0 382.346 2.670 20 0 GFADRO CCS(=O)(=O)c1ccc(C[NH2+]Cc2ccc3c(c2)CCC(=O)N3C)s1 ZINC000280553752 563343326 /nfs/dbraw/zinc/34/33/26/563343326.db2.gz KGTLBIXXSOTPEH-UHFFFAOYSA-N 1 0 378.519 2.741 20 0 GFADRO C[C@H](NC(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1)c1ccc(Br)cn1 ZINC000280566196 563343759 /nfs/dbraw/zinc/34/37/59/563343759.db2.gz LHRHTSAZDDVOQZ-KBPBESRZSA-N 1 0 399.333 2.705 20 0 GFADRO CC1=C(Br)CN(C(=O)C(=O)Nc2cccc(C[NH+](C)C)c2)CC1 ZINC000280566225 563343996 /nfs/dbraw/zinc/34/39/96/563343996.db2.gz JZZLWAASZSVCJV-UHFFFAOYSA-N 1 0 380.286 2.588 20 0 GFADRO CC(C)(CC[NH3+])NC(=O)NC[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000422599260 563344563 /nfs/dbraw/zinc/34/45/63/563344563.db2.gz QCLGWNIKQCHHGT-ZDUSSCGKSA-N 1 0 383.334 2.702 20 0 GFADRO CCOC(=O)[C@@H]1NCC[C@@H]1[NH2+]CC1(c2cccc(Br)c2)CCC1 ZINC000422739374 563348810 /nfs/dbraw/zinc/34/88/10/563348810.db2.gz LIDVWXHQTFYAEY-JKSUJKDBSA-N 1 0 381.314 2.754 20 0 GFADRO C[C@@H](C[C@H]1COCCN1)[NH2+]C1CCN(Cc2ccc(Br)cc2)CC1 ZINC000422889292 563349513 /nfs/dbraw/zinc/34/95/13/563349513.db2.gz FPGHFFXYKAFSRZ-KXBFYZLASA-N 1 0 396.373 2.770 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)[C@@H]1[NH2+]CCCC1(C)C ZINC000422929793 563350840 /nfs/dbraw/zinc/35/08/40/563350840.db2.gz ROCHUWDCEIOPFY-INIZCTEOSA-N 1 0 396.329 2.933 20 0 GFADRO CN(Cc1ccccc1Br)C(=O)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000422920971 563350944 /nfs/dbraw/zinc/35/09/44/563350944.db2.gz ODTBGCMNMOFJSI-OAHLLOKOSA-N 1 0 377.286 2.842 20 0 GFADRO CCOC(=O)[C@@H]1NCC[C@H]1[NH2+]C[C@H](C)Sc1ccc(Br)cc1 ZINC000422959122 563351557 /nfs/dbraw/zinc/35/15/57/563351557.db2.gz QTFQCFGSOUDNQO-NILFDRSVSA-N 1 0 387.343 2.813 20 0 GFADRO C[C@@H](C[C@H]1COCCN1)[NH2+]Cc1cc(Br)ccc1OC(F)F ZINC000422950195 563351852 /nfs/dbraw/zinc/35/18/52/563351852.db2.gz XIBJVMZGILGLMV-GWCFXTLKSA-N 1 0 379.245 2.907 20 0 GFADRO C[NH2+][C@@H]1CCCN(C(=O)C(=O)N(Cc2cccs2)Cc2cccs2)C1 ZINC000423010936 563352465 /nfs/dbraw/zinc/35/24/65/563352465.db2.gz AIZUDBYWVODRHQ-CQSZACIVSA-N 1 0 377.535 2.549 20 0 GFADRO [NH3+]CCCCn1cc(C(=O)N2CCC[C@H]2c2cccc(Br)c2)nn1 ZINC000423015765 563352960 /nfs/dbraw/zinc/35/29/60/563352960.db2.gz ROMDIBNUQPOWGV-INIZCTEOSA-N 1 0 392.301 2.757 20 0 GFADRO Cc1ccc(F)c(NC(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)c1Br ZINC000373835769 563353579 /nfs/dbraw/zinc/35/35/79/563353579.db2.gz INWRWJLVPKUUOV-RYUDHWBXSA-N 1 0 398.276 2.578 20 0 GFADRO Cc1noc(Cl)c1CC(=O)NC[C@@H]1CSCCN1Cc1ccccc1 ZINC000373879833 563354007 /nfs/dbraw/zinc/35/40/07/563354007.db2.gz CVNQKQONGIFFCJ-OAHLLOKOSA-N 1 0 379.913 2.913 20 0 GFADRO C[C@H]([NH2+][C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1)c1cccnc1 ZINC000280785574 563354197 /nfs/dbraw/zinc/35/41/97/563354197.db2.gz SOCBXKNFKGCJNA-QWRGUYRKSA-N 1 0 384.299 2.903 20 0 GFADRO C[NH2+]C[C@H]1CCN(C(=O)C(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000423093098 563354495 /nfs/dbraw/zinc/35/44/95/563354495.db2.gz FTWAZKKGHUIVRL-MLGOLLRUSA-N 1 0 384.307 2.725 20 0 GFADRO CN(CC(C)(C)C[NH3+])C(=O)C(=O)N1CCC[C@@H]1c1cccc(Br)c1 ZINC000423099479 563355318 /nfs/dbraw/zinc/35/53/18/563355318.db2.gz APOYUXGPQRRMAF-OAHLLOKOSA-N 1 0 396.329 2.556 20 0 GFADRO COc1cc(C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc(OC)c1Br ZINC000373940431 563356257 /nfs/dbraw/zinc/35/62/57/563356257.db2.gz YAQVATBIKKSEQY-QWHCGFSZSA-N 1 0 383.286 2.823 20 0 GFADRO C[C@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000423110731 563356428 /nfs/dbraw/zinc/35/64/28/563356428.db2.gz ILJKODHVJUPLHT-KFNAQCHYSA-N 1 0 384.307 2.723 20 0 GFADRO CC(C)[C@@H](C(=O)NCCc1ccc(I)s1)[C@H](C)[NH3+] ZINC000423132968 563357218 /nfs/dbraw/zinc/35/72/18/563357218.db2.gz JRVXIYSKFQHVHP-JOYOIKCWSA-N 1 0 380.295 2.631 20 0 GFADRO [NH3+][C@@H](C(=O)N1CCC(C(=O)Nc2cccc(Br)c2)CC1)C1CCC1 ZINC000423137188 563357226 /nfs/dbraw/zinc/35/72/26/563357226.db2.gz ZVLUCHYCBCXCMW-MRXNPFEDSA-N 1 0 394.313 2.754 20 0 GFADRO COc1cc(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)cc(OC)c1Br ZINC000298495456 563357654 /nfs/dbraw/zinc/35/76/54/563357654.db2.gz LSTMWCUMXOCDMY-STQMWFEESA-N 1 0 383.286 2.823 20 0 GFADRO C[C@@H](C[C@@H]1COCCN1)[NH2+]C1CCN(Cc2cccc(Br)c2)CC1 ZINC000423188855 563358552 /nfs/dbraw/zinc/35/85/52/563358552.db2.gz QQVJGXMGFNHKDK-HNAYVOBHSA-N 1 0 396.373 2.770 20 0 GFADRO C[C@H]([NH2+][C@@H](CO)CC(C)(C)C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000280879098 563358638 /nfs/dbraw/zinc/35/86/38/563358638.db2.gz CNQFSUNQWHOTKK-CMPLNLGQSA-N 1 0 393.347 2.544 20 0 GFADRO CCC([NH3+])(CC)CN[C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000423289521 563359636 /nfs/dbraw/zinc/35/96/36/563359636.db2.gz XHQPESQEIUYLNC-ZDUSSCGKSA-N 1 0 375.332 2.775 20 0 GFADRO Brc1cccc([C@H](NC[C@H]2C[NH2+]CCCO2)C2CCOCC2)c1 ZINC000423489208 563361484 /nfs/dbraw/zinc/36/14/84/563361484.db2.gz FOQRAWICUCPNNE-QZTJIDSGSA-N 1 0 383.330 2.885 20 0 GFADRO C[C@@H](NC[C@@H]1C[NH2+]CCO1)c1ccc(Br)cc1Br ZINC000423529429 563362227 /nfs/dbraw/zinc/36/22/27/563362227.db2.gz VMQBYMJHMIAVRN-KOLCDFICSA-N 1 0 378.108 2.851 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N2CCc3cc(Cl)cc(Cl)c3[C@@H]2C)C1 ZINC000423554166 563362235 /nfs/dbraw/zinc/36/22/35/563362235.db2.gz LFEQZXOZNKEMRY-GMXVVIOVSA-N 1 0 384.307 2.635 20 0 GFADRO COC[C@@]1(C(=O)NCc2ccc(Br)cc2C(F)(F)F)CC[NH2+]C1 ZINC000423754578 563363681 /nfs/dbraw/zinc/36/36/81/563363681.db2.gz ZCLYTLDWKBPXIT-CQSZACIVSA-N 1 0 395.219 2.710 20 0 GFADRO CC(C)[C@H](C(=O)NCc1nc(-c2cccc(Br)c2)no1)[C@H](C)[NH3+] ZINC000423934198 563364261 /nfs/dbraw/zinc/36/42/61/563364261.db2.gz YQOFGDRCZDLGMO-HZMBPMFUSA-N 1 0 381.274 2.735 20 0 GFADRO C[NH+](C)CC1(NC(=O)c2cc(F)ccc2I)CCC1 ZINC000281043423 563364284 /nfs/dbraw/zinc/36/42/84/563364284.db2.gz JJDWGRJPJIYOPU-UHFFFAOYSA-N 1 0 376.213 2.644 20 0 GFADRO [NH3+]C[C@@H](NC(=O)C1CCN(C(=O)c2ccc(Cl)s2)CC1)C1CCCC1 ZINC000423960628 563365540 /nfs/dbraw/zinc/36/55/40/563365540.db2.gz NFUUSTBJEUJFHH-CQSZACIVSA-N 1 0 383.945 2.887 20 0 GFADRO C[C@@H]1CCN(C(=O)[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C[C@@H]1C[NH3+] ZINC000424005077 563367085 /nfs/dbraw/zinc/36/70/85/563367085.db2.gz FMDYJACMLAVSDM-DYEKYZERSA-N 1 0 384.307 2.790 20 0 GFADRO COc1ccc(Br)cc1C(=O)CCC(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000424004901 563367146 /nfs/dbraw/zinc/36/71/46/563367146.db2.gz FIYCOBFBGHSRTE-OLZOCXBDSA-N 1 0 397.313 2.864 20 0 GFADRO C[C@H]1CCN(C(=O)c2cc(F)c(F)cc2I)C[C@H]1C[NH3+] ZINC000424004302 563367329 /nfs/dbraw/zinc/36/73/29/563367329.db2.gz FEFNOMDVXNWBHD-DTWKUNHWSA-N 1 0 394.203 2.626 20 0 GFADRO CN(C)c1ncc(Br)cc1C(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000374331952 563367982 /nfs/dbraw/zinc/36/79/82/563367982.db2.gz MLCVLLUXYQMPLZ-AWEZNQCLSA-N 1 0 395.345 2.714 20 0 GFADRO CCOc1cc(C[N@@H+]2CC[C@](C)(C(=O)NC)C2)cc(Br)c1OC ZINC000281178378 563368259 /nfs/dbraw/zinc/36/82/59/563368259.db2.gz REBFUKZVILVRPX-KRWDZBQOSA-N 1 0 385.302 2.814 20 0 GFADRO C[C@H]([NH2+]C[C@@H]1CCSC1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000281167333 563368292 /nfs/dbraw/zinc/36/82/92/563368292.db2.gz QJQRHRZIWLKYFW-UWVGGRQHSA-N 1 0 379.345 2.500 20 0 GFADRO Cc1csc(C(=O)N2CCC3(CC[NH2+]3)CC2)c1I ZINC000424056259 563368617 /nfs/dbraw/zinc/36/86/17/563368617.db2.gz SFGWTOSBAJNCIO-UHFFFAOYSA-N 1 0 376.263 2.629 20 0 GFADRO CCOc1ccc(Br)cc1NC(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000424100388 563370891 /nfs/dbraw/zinc/37/08/91/563370891.db2.gz KRRUTYLBNOQJCX-GFCCVEGCSA-N 1 0 394.273 2.616 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2C(=O)COc1ccc(Br)cc1 ZINC000374424970 563371930 /nfs/dbraw/zinc/37/19/30/563371930.db2.gz XZSOYZINXFBGMX-DJIMGWMZSA-N 1 0 397.313 2.538 20 0 GFADRO CCOCCOc1ccc(Br)cc1C[NH2+]C[C@@H]1CCN(C)C(=O)C1 ZINC000424194350 563373034 /nfs/dbraw/zinc/37/30/34/563373034.db2.gz WGPJIUYFEYPMNQ-CQSZACIVSA-N 1 0 399.329 2.822 20 0 GFADRO COc1cc([C@H](C)[NH2+][C@@H]2CCO[C@H]2C2CC2)ccc1S(=O)(=O)C(F)F ZINC000374498773 563374751 /nfs/dbraw/zinc/37/47/51/563374751.db2.gz WNFNQKBFGLSXKI-WNMQOVRZSA-N 1 0 375.437 2.910 20 0 GFADRO CN1CCN(S(=O)(=O)c2cc3c(cc2Cl)CCC3=O)c2c[nH+]ccc21 ZINC000374587245 563376620 /nfs/dbraw/zinc/37/66/20/563376620.db2.gz SHGRVYPXBVCHOW-UHFFFAOYSA-N 1 0 377.853 2.509 20 0 GFADRO CN(C)c1noc([C@H]2CCC[N@H+](C[C@@H](O)c3cccc(Br)c3)C2)n1 ZINC000374621249 563378111 /nfs/dbraw/zinc/37/81/11/563378111.db2.gz VGQBWYPQMALBDP-DZGCQCFKSA-N 1 0 395.301 2.811 20 0 GFADRO [NH3+][C@@H]1CCCC[C@H]1NC(=O)Nc1cc(F)c(I)c(F)c1 ZINC000424417536 563378789 /nfs/dbraw/zinc/37/87/89/563378789.db2.gz MCSRMBJHLHNIGY-GHMZBOCLSA-N 1 0 395.191 2.961 20 0 GFADRO [NH3+][C@@H]1CCCC[C@H]1NC(=O)N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000424459602 563379511 /nfs/dbraw/zinc/37/95/11/563379511.db2.gz GRSBQBDLULFPEL-MCIONIFRSA-N 1 0 385.295 2.668 20 0 GFADRO COc1cc(CNC(=O)N[C@@H]2CCCC[C@H]2[NH3+])cc(Br)c1OC ZINC000424456946 563379576 /nfs/dbraw/zinc/37/95/76/563379576.db2.gz YHJWUNXURZLWSI-CHWSQXEVSA-N 1 0 386.290 2.535 20 0 GFADRO CC[NH+]1CCC(NC(=O)NCc2cc(Br)c3c(c2)OCCO3)CC1 ZINC000299284094 563379836 /nfs/dbraw/zinc/37/98/36/563379836.db2.gz CZKNCANXYBXXRK-UHFFFAOYSA-N 1 0 398.301 2.504 20 0 GFADRO C[C@H](CNC(=O)C[C@@](O)(c1nc2ccccc2s1)C(F)(F)F)[NH+](C)C ZINC000299273699 563380061 /nfs/dbraw/zinc/38/00/61/563380061.db2.gz WBNFIIYDDRFULP-MEBBXXQBSA-N 1 0 375.416 2.503 20 0 GFADRO Cc1sc(Br)c(C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)c1C ZINC000281606757 563380772 /nfs/dbraw/zinc/38/07/72/563380772.db2.gz ASZHGLHTMMNXBB-CYBMUJFWSA-N 1 0 387.343 2.922 20 0 GFADRO C[NH+]1CCC(n2ccc(NC(=O)NCc3ccsc3Br)n2)CC1 ZINC000374733319 563381522 /nfs/dbraw/zinc/38/15/22/563381522.db2.gz FXWRJUDKWDHGHY-UHFFFAOYSA-N 1 0 398.330 3.296 20 0 GFADRO CC[N@H+](CCc1cccs1)CC(=O)Nc1ccccc1SCC(N)=O ZINC000299402560 563383039 /nfs/dbraw/zinc/38/30/39/563383039.db2.gz MLVKLUWPIZWBFA-UHFFFAOYSA-N 1 0 377.535 2.829 20 0 GFADRO CS(=O)(=O)N1CCC[C@H](C[NH2+][C@H](c2ccc(Cl)cc2)[C@@H]2CCOC2)C1 ZINC000374872526 563384698 /nfs/dbraw/zinc/38/46/98/563384698.db2.gz FXXKIJQNPOPHDK-QGPMSJSTSA-N 1 0 386.945 2.679 20 0 GFADRO Cc1oc(Br)cc1C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000424631614 563384803 /nfs/dbraw/zinc/38/48/03/563384803.db2.gz SGHPOEHGIDUUCS-UHFFFAOYSA-N 1 0 384.318 2.639 20 0 GFADRO Cc1oc(Br)cc1C(=O)N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000424633198 563384948 /nfs/dbraw/zinc/38/49/48/563384948.db2.gz VYPWFZWMBDTSGG-ZIAGYGMSSA-N 1 0 398.345 2.981 20 0 GFADRO C[N@@H+]1CCN(CCNC(=O)C(C)(C)c2ccc(Br)cc2)CC1(C)C ZINC000281729110 563385783 /nfs/dbraw/zinc/38/57/83/563385783.db2.gz JCBLKCZCAUCTTJ-UHFFFAOYSA-N 1 0 396.373 2.869 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(F)ccc1I ZINC000299599787 563387382 /nfs/dbraw/zinc/38/73/82/563387382.db2.gz GXBBESJTLBHIDN-LLVKDONJSA-N 1 0 376.213 2.644 20 0 GFADRO C[N@@H+]1CCN(CCNC(=O)c2ccc(C3SCCS3)cc2)CC1(C)C ZINC000281816928 563387851 /nfs/dbraw/zinc/38/78/51/563387851.db2.gz QRFBAVYAGFHOGN-UHFFFAOYSA-N 1 0 379.595 2.921 20 0 GFADRO COc1ncc(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1Br ZINC000424729295 563389209 /nfs/dbraw/zinc/38/92/09/563389209.db2.gz COVOFLJGDNHMEM-LRDDRELGSA-N 1 0 394.313 2.942 20 0 GFADRO [NH3+]C1(C(=O)Nc2ccc(Br)c(I)c2)CCC1 ZINC000300911186 563391642 /nfs/dbraw/zinc/39/16/42/563391642.db2.gz FHSXODRBZBZHMB-UHFFFAOYSA-N 1 0 395.038 2.874 20 0 GFADRO NS(=O)(=O)c1cccnc1NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000301250147 563398018 /nfs/dbraw/zinc/39/80/18/563398018.db2.gz IWYFJQZZWBPYIH-OAHLLOKOSA-N 1 0 380.901 2.631 20 0 GFADRO O=C1CC[C@@H]([NH2+]Cc2cc3c(cc2Br)OCCCO3)[C@@H](C2CC2)N1 ZINC000375282394 563398238 /nfs/dbraw/zinc/39/82/38/563398238.db2.gz RHECRKBIGQKPOL-RDTXWAMCSA-N 1 0 395.297 2.757 20 0 GFADRO O=C1CC[C@H]([NH2+]Cc2cc3c(cc2Br)OCCCO3)[C@@H](C2CC2)N1 ZINC000375282391 563398327 /nfs/dbraw/zinc/39/83/27/563398327.db2.gz RHECRKBIGQKPOL-KBXCAEBGSA-N 1 0 395.297 2.757 20 0 GFADRO COCC[C@H](CO)[NH2+]Cc1cc(Br)cc(Br)c1OC ZINC000282197686 563401597 /nfs/dbraw/zinc/40/15/97/563401597.db2.gz LEQVECOXTSGWAZ-LLVKDONJSA-N 1 0 397.107 2.707 20 0 GFADRO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)Nc1cncc(Br)c1 ZINC000301410143 563403088 /nfs/dbraw/zinc/40/30/88/563403088.db2.gz XPIMLCVBTCRTAU-CQSZACIVSA-N 1 0 376.302 2.862 20 0 GFADRO C[C@H]1CCN(c2cnn(C)c(=O)c2Br)CC[N@@H+]1Cc1ccccc1 ZINC000301444386 563403648 /nfs/dbraw/zinc/40/36/48/563403648.db2.gz NQCDPSBGHNVZEF-AWEZNQCLSA-N 1 0 391.313 2.644 20 0 GFADRO Cn1nc(Br)cc1C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000375430267 563405026 /nfs/dbraw/zinc/40/50/26/563405026.db2.gz XZZFYMFRRWCDNL-HNNXBMFYSA-N 1 0 391.313 2.825 20 0 GFADRO Cn1ccnc1[C@@H]1CCCN1C(=O)c1cc(I)ccc1O ZINC000375458113 563405617 /nfs/dbraw/zinc/40/56/17/563405617.db2.gz OCUPQTPCJSORRI-LBPRGKRZSA-N 1 0 397.216 2.708 20 0 GFADRO [NH3+][C@H]1CCC[C@@]12CCN(C(=O)c1csc(I)c1)C2 ZINC000375456427 563405807 /nfs/dbraw/zinc/40/58/07/563405807.db2.gz HZHNVRUXXNOBMN-GWCFXTLKSA-N 1 0 376.263 2.696 20 0 GFADRO CN(C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1)S(=O)(=O)CCc1cccs1 ZINC000375516033 563408422 /nfs/dbraw/zinc/40/84/22/563408422.db2.gz XIZARWKNTLPYDT-WMZOPIPTSA-N 1 0 379.551 2.640 20 0 GFADRO CSC1(CNS(=O)(=O)CCc2ccc(Cl)cc2)CC[NH+](C)CC1 ZINC000425233415 563413569 /nfs/dbraw/zinc/41/35/69/563413569.db2.gz LEANWTUZYLQULG-UHFFFAOYSA-N 1 0 376.975 2.629 20 0 GFADRO COc1cc2[nH+]ccc(NC[C@@H]3CC(=O)N(C4CC4)C3)c2cc1Br ZINC000425250464 563415029 /nfs/dbraw/zinc/41/50/29/563415029.db2.gz VRUCTQRFEGMOTL-NSHDSACASA-N 1 0 390.281 2.851 20 0 GFADRO CC(C)(C)c1n[nH]cc1C[NH2+]C[C@H]1CCN(S(=O)(=O)c2cccs2)C1 ZINC000375745818 563417078 /nfs/dbraw/zinc/41/70/78/563417078.db2.gz RHMGZHMIWRVAJY-CYBMUJFWSA-N 1 0 382.555 2.569 20 0 GFADRO CN1CC[C@H]([NH+]2CCC(NC(=O)c3cc(Cl)c(F)cc3Cl)CC2)C1=O ZINC000425307958 563417256 /nfs/dbraw/zinc/41/72/56/563417256.db2.gz KSEABVZRLBZXOY-HNNXBMFYSA-N 1 0 388.270 2.557 20 0 GFADRO COCCCn1nccc1C[NH2+]C[C@@H](CO)Cc1cccc(Br)c1 ZINC000282615894 563418106 /nfs/dbraw/zinc/41/81/06/563418106.db2.gz JDWMXQGFGVGSIT-INIZCTEOSA-N 1 0 396.329 2.623 20 0 GFADRO C[C@@H]1CN(C(=O)c2ccc(Br)s2)CCN1C1CC[NH+](C)CC1 ZINC000375799645 563418629 /nfs/dbraw/zinc/41/86/29/563418629.db2.gz ZWCIWQBRKDOESP-GFCCVEGCSA-N 1 0 386.359 2.751 20 0 GFADRO COCC(C)(C)[NH+]1CCN(Cc2cnc3c(C)cc(Br)cn23)CC1 ZINC000425350683 563418645 /nfs/dbraw/zinc/41/86/45/563418645.db2.gz MIRCXUFMTUOTDV-UHFFFAOYSA-N 1 0 395.345 2.948 20 0 GFADRO CN1C(=O)NCC12CC[NH+](CC1=Cc3cc(Br)ccc3OC1)CC2 ZINC000425368603 563419863 /nfs/dbraw/zinc/41/98/63/563419863.db2.gz FJFCQUPJUUSLLH-UHFFFAOYSA-N 1 0 392.297 2.715 20 0 GFADRO CCO[C@@H]1C[C@@H]([NH2+]C[C@H]2CCN(S(=O)(=O)c3cccs3)C2)C12CCC2 ZINC000375842940 563420923 /nfs/dbraw/zinc/42/09/23/563420923.db2.gz XCHHKJMNHWNWNZ-BZUAXINKSA-N 1 0 384.567 2.696 20 0 GFADRO COC(=O)[C@@H]1CN([C@H](C)c2nncn2C)C[C@H]1c1ccc(Br)cc1 ZINC000425523136 563426753 /nfs/dbraw/zinc/42/67/53/563426753.db2.gz YJIDTTKRLVUYDN-BYCMXARLSA-N 1 0 393.285 2.527 20 0 GFADRO O=C(N[C@@H]1COc2c1ccc(Cl)c2Cl)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000376071015 563428360 /nfs/dbraw/zinc/42/83/60/563428360.db2.gz UQUMCPBPYCERGG-IINYFYTJSA-N 1 0 381.263 2.978 20 0 GFADRO CS(=O)(=O)c1cccc(Br)c1N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000376221182 563433852 /nfs/dbraw/zinc/43/38/52/563433852.db2.gz UAPBBAUERXBNLZ-YDHLFZDLSA-N 1 0 399.354 2.773 20 0 GFADRO COc1ccc(Br)cc1S(=O)(=O)NC(C)(C)C[NH+]1CCCC1 ZINC000308676773 563435087 /nfs/dbraw/zinc/43/50/87/563435087.db2.gz LAGMQLWDESJDTM-UHFFFAOYSA-N 1 0 391.331 2.610 20 0 GFADRO O=C(Cc1ccc(Cl)s1)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000283227877 563438761 /nfs/dbraw/zinc/43/87/61/563438761.db2.gz OPKLNGDUIKUFLI-DOTOQJQBSA-N 1 0 378.925 2.943 20 0 GFADRO C[NH+]1CCN([C@@H]2CCCCN(c3nc(C(Cl)(Cl)Cl)ns3)C2)CC1 ZINC000376405238 563441116 /nfs/dbraw/zinc/44/11/16/563441116.db2.gz COQSJHAELXDEEF-LLVKDONJSA-N 1 0 398.791 2.971 20 0 GFADRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)COc1ccc(C=O)cc1Br ZINC000376445875 563442321 /nfs/dbraw/zinc/44/23/21/563442321.db2.gz ADAQLSOEHGGETR-DZGCQCFKSA-N 1 0 395.297 2.726 20 0 GFADRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)COc1ccc(C=O)cc1Br ZINC000376445879 563442348 /nfs/dbraw/zinc/44/23/48/563442348.db2.gz ADAQLSOEHGGETR-UKRRQHHQSA-N 1 0 395.297 2.726 20 0 GFADRO CCN(CC[NH2+][C@H](C)c1ccc(S(=O)(=O)NC)cc1)CCC(F)(F)F ZINC000426040999 563442793 /nfs/dbraw/zinc/44/27/93/563442793.db2.gz CCYXKXBXXGTHGH-CYBMUJFWSA-N 1 0 381.464 2.520 20 0 GFADRO C[NH+](C)C[C@@](C)(O)CNCc1ccc(OC(F)(F)F)c(Br)c1 ZINC000318567032 563444195 /nfs/dbraw/zinc/44/41/95/563444195.db2.gz DQMMRBJVVGMLFW-ZDUSSCGKSA-N 1 0 385.224 2.750 20 0 GFADRO O=C(CN1CCC[C@@H]([C@H]2CCC[NH2+]2)C1)Nc1ccc(Br)cc1F ZINC000322111836 563449172 /nfs/dbraw/zinc/44/91/72/563449172.db2.gz OYFBRHPORKAIKS-IUODEOHRSA-N 1 0 384.293 2.991 20 0 GFADRO O=C(c1cccc(F)c1Br)N1CCN(Cc2cccnc2)CC1 ZINC000322754455 563450036 /nfs/dbraw/zinc/45/00/36/563450036.db2.gz XWUHBRULOGMQQR-UHFFFAOYSA-N 1 0 378.245 2.941 20 0 GFADRO C[NH+](C)[C@H]1CCCN(C(=O)N[C@@H]2CCN(c3cccc(Br)c3)C2)C1 ZINC000426456480 563451414 /nfs/dbraw/zinc/45/14/14/563451414.db2.gz DDWDUKGMRRDZBF-WBVHZDCISA-N 1 0 395.345 2.763 20 0 GFADRO O=S(=O)(c1cccc(Cl)c1Br)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000376751047 563452649 /nfs/dbraw/zinc/45/26/49/563452649.db2.gz VPJQWBJWBQUQMH-CQSZACIVSA-N 1 0 393.734 2.867 20 0 GFADRO Cc1c(Br)cc(C[NH2+][C@H]2CCS(=O)(=O)C2)cc1Br ZINC000283807013 563455168 /nfs/dbraw/zinc/45/51/68/563455168.db2.gz CKIFDWPJSFAMOQ-JTQLQIEISA-N 1 0 397.132 2.797 20 0 GFADRO CN(CC(=O)NCc1cccs1)[C@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000426995913 563458119 /nfs/dbraw/zinc/45/81/19/563458119.db2.gz VMPYZUFRWVDKPO-INIZCTEOSA-N 1 0 377.897 2.755 20 0 GFADRO Fc1ccc(I)c(F)c1CN1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000427098727 563459854 /nfs/dbraw/zinc/45/98/54/563459854.db2.gz CCUMPOYDMMUCDF-TVQRCGJNSA-N 1 0 378.204 2.753 20 0 GFADRO Cc1c2cc(Br)cc(C)c2oc1C(=O)NCC1(O)CC[NH+](C)CC1 ZINC000427262824 563464090 /nfs/dbraw/zinc/46/40/90/563464090.db2.gz MVPVUKFUGYNDQE-UHFFFAOYSA-N 1 0 395.297 2.999 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)C12CCC[NH+]1CCC2 ZINC000328870213 563467283 /nfs/dbraw/zinc/46/72/83/563467283.db2.gz XYEABCCCTBOUHQ-UHFFFAOYSA-N 1 0 394.313 2.783 20 0 GFADRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)c1cc(I)ccc1Cl ZINC000427594251 563470014 /nfs/dbraw/zinc/47/00/14/563470014.db2.gz XGFHEFJNXAIUMQ-PRHODGIISA-N 1 0 378.641 2.672 20 0 GFADRO C[C@@H](c1ccc(Br)cc1)[NH+]1CCC(n2cnc(C(N)=O)c2N)CC1 ZINC000284357090 563471722 /nfs/dbraw/zinc/47/17/22/563471722.db2.gz SMAJSCAMBOMSTK-NSHDSACASA-N 1 0 392.301 2.725 20 0 GFADRO CC[N@H+](CC(=O)N(CCOC)Cc1ccc(Br)s1)C1CC1 ZINC000427726532 563472952 /nfs/dbraw/zinc/47/29/52/563472952.db2.gz MJUGDQHRXHTHSX-UHFFFAOYSA-N 1 0 375.332 2.970 20 0 GFADRO CN1CC[NH+](C[C@@H]2CCCN(c3ncc(Cl)cc3Br)C2)CC1 ZINC000377466481 563476152 /nfs/dbraw/zinc/47/61/52/563476152.db2.gz ZJZSTKVRAURALL-ZDUSSCGKSA-N 1 0 387.753 2.961 20 0 GFADRO Cc1nc(S(=O)(=O)N[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)sc1C ZINC000329260856 563476896 /nfs/dbraw/zinc/47/68/96/563476896.db2.gz ZBOCQMSZSBCUJF-PBHICJAKSA-N 1 0 379.551 2.949 20 0 GFADRO NC(=O)[C@H]([NH2+][C@H]1CCN(c2ccccc2F)C1)c1ccc(Br)cc1 ZINC000427834638 563476944 /nfs/dbraw/zinc/47/69/44/563476944.db2.gz KJEKANAMFZHFMY-WMLDXEAASA-N 1 0 392.272 2.983 20 0 GFADRO Cc1cc(C(=O)NCCCN2CC[NH+](C)CC2)cc(Cl)c1Br ZINC000284571534 563481036 /nfs/dbraw/zinc/48/10/36/563481036.db2.gz RDLUFFJRDCNQCC-UHFFFAOYSA-N 1 0 388.737 2.778 20 0 GFADRO Brc1ccc(CN2CC[NH+]3CCC2CC3)c(N2CCOCC2)c1 ZINC000377625370 563481966 /nfs/dbraw/zinc/48/19/66/563481966.db2.gz MGEKZZSMZGYQJG-UHFFFAOYSA-N 1 0 380.330 2.566 20 0 GFADRO COc1cc(C[NH2+][C@H]2CCc3nc(C)ncc3C2)c(Br)cc1O ZINC000377652729 563482278 /nfs/dbraw/zinc/48/22/78/563482278.db2.gz XUXAGFQUPOJFDW-ZDUSSCGKSA-N 1 0 378.270 2.909 20 0 GFADRO Cc1ncc(S(=O)(=O)N2C[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)s1 ZINC000377772255 563486545 /nfs/dbraw/zinc/48/65/45/563486545.db2.gz WONNCARNSWPCLX-IAGOWNOFSA-N 1 0 377.535 2.594 20 0 GFADRO Cc1ncc(S(=O)(=O)N2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)s1 ZINC000377772263 563486598 /nfs/dbraw/zinc/48/65/98/563486598.db2.gz WONNCARNSWPCLX-SJORKVTESA-N 1 0 377.535 2.594 20 0 GFADRO CN(C(=O)[C@@H]1CCN(c2cc(Cl)ccc2Cl)C1=O)[C@H]1CCC[NH2+]CC1 ZINC000377848341 563488666 /nfs/dbraw/zinc/48/86/66/563488666.db2.gz WJJJLXVIORPNEE-KBPBESRZSA-N 1 0 384.307 2.947 20 0 GFADRO Cn1ncc(Cl)c1CN1CCCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000329857783 563490193 /nfs/dbraw/zinc/49/01/93/563490193.db2.gz ZNBPZEIKYMYDPT-UHFFFAOYSA-N 1 0 380.827 2.656 20 0 GFADRO Cn1ccnc1[C@H]1CC[N@H+](Cc2cc(Br)c3c(c2)OCCO3)C1 ZINC000377890691 563490203 /nfs/dbraw/zinc/49/02/03/563490203.db2.gz XUJHJXJELOSKHS-ZDUSSCGKSA-N 1 0 378.270 2.943 20 0 GFADRO CSc1nc(=O)[nH]c(C)c1C(=O)NC[C@H]1CC[N@H+](C)[C@@H]1c1cccs1 ZINC000377941033 563491962 /nfs/dbraw/zinc/49/19/62/563491962.db2.gz AAGBNBKPWDOEGU-RISCZKNCSA-N 1 0 378.523 2.697 20 0 GFADRO C[N@@H+]1CCC[C@H]2CN(S(=O)(=O)c3csc(-c4ccccc4)n3)CC[C@@H]21 ZINC000330034912 563493696 /nfs/dbraw/zinc/49/36/96/563493696.db2.gz BJQQYCNMEOVCNC-HOTGVXAUSA-N 1 0 377.535 2.915 20 0 GFADRO CN(C)c1ccncc1C[NH2+]C[C@H](CO)Cc1cccc(Br)c1 ZINC000428535609 563494375 /nfs/dbraw/zinc/49/43/75/563494375.db2.gz LLCGWWYJNQOSLF-OAHLLOKOSA-N 1 0 378.314 2.851 20 0 GFADRO C[C@@H](C(=O)Nc1cccc(Br)c1)N1CCC(c2nnc[nH]2)CC1 ZINC000378051498 563494573 /nfs/dbraw/zinc/49/45/73/563494573.db2.gz BOHWBGQINBYYEB-NSHDSACASA-N 1 0 378.274 2.774 20 0 GFADRO C[C@H]1C[C@@H](NC(=O)N2CCC(n3cc(Br)cn3)CC2)C[N@@H+]1C1CC1 ZINC000378055696 563494672 /nfs/dbraw/zinc/49/46/72/563494672.db2.gz TUQVCUAJQLJGIX-GXTWGEPZSA-N 1 0 396.333 2.617 20 0 GFADRO C[C@H]1C[C@@H](N(C)C(=O)C(=O)NCCc2c(Cl)cccc2Cl)CC[N@@H+]1C ZINC000284901340 563494907 /nfs/dbraw/zinc/49/49/07/563494907.db2.gz HOHZCJLIBDGCER-STQMWFEESA-N 1 0 386.323 2.593 20 0 GFADRO C[C@@H]([NH2+][C@@H](c1cncc(Br)c1)C1CC1)C(=O)NC(=O)NC(C)(C)C ZINC000284921955 563495369 /nfs/dbraw/zinc/49/53/69/563495369.db2.gz VURRWCLBAFSLPN-QMTHXVAHSA-N 1 0 397.317 2.898 20 0 GFADRO C[NH+]1CCC(CCNC(=O)C(=O)NCCc2c(Cl)cccc2Cl)CC1 ZINC000284985265 563497999 /nfs/dbraw/zinc/49/79/99/563497999.db2.gz LGKVZZDUAZTITH-UHFFFAOYSA-N 1 0 386.323 2.500 20 0 GFADRO O=S(=O)(c1ccc(F)cc1C(F)(F)F)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000378222107 563499120 /nfs/dbraw/zinc/49/91/20/563499120.db2.gz FMTGVLGWVJCHEM-RISCZKNCSA-N 1 0 380.407 2.997 20 0 GFADRO CC1CC[NH+]([C@@H](CNC(=O)N[C@@H](CO)CC(F)F)c2cccs2)CC1 ZINC000428693690 563499998 /nfs/dbraw/zinc/49/99/98/563499998.db2.gz QXBHOPYXBNONFX-KGLIPLIRSA-N 1 0 375.485 2.836 20 0 GFADRO Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](C[C@H]3CCCO3)C[C@@H]2C)c(Br)n1 ZINC000378282099 563501211 /nfs/dbraw/zinc/50/12/11/563501211.db2.gz LPSHMULQCIOYME-JGGQBBKZSA-N 1 0 396.329 2.772 20 0 GFADRO O=C1[C@H]([NH2+][C@@H](CO)c2ccc(Br)cc2)CCCN1CC(F)(F)F ZINC000428815718 563502739 /nfs/dbraw/zinc/50/27/39/563502739.db2.gz VSXNQSCYJWELBD-OLZOCXBDSA-N 1 0 395.219 2.625 20 0 GFADRO C[C@@H]1CN(C(=O)c2ccccc2Br)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000378317690 563503104 /nfs/dbraw/zinc/50/31/04/563503104.db2.gz PFQQUFZXMZRSQJ-RHSMWYFYSA-N 1 0 380.330 2.547 20 0 GFADRO C[NH+]1CCN(CCCNC(=O)c2cc(F)c(Br)c(Cl)c2)CC1 ZINC000285114368 563503872 /nfs/dbraw/zinc/50/38/72/563503872.db2.gz VAYUWRIUGHSAHT-UHFFFAOYSA-N 1 0 392.700 2.609 20 0 GFADRO O=C(C1CCC1)N1CCN(CC[NH2+]Cc2ccc(C(F)(F)F)s2)CC1 ZINC000428876271 563504196 /nfs/dbraw/zinc/50/41/96/563504196.db2.gz ZVWOSRWBSZMDOR-UHFFFAOYSA-N 1 0 375.460 2.801 20 0 GFADRO CC(C)CS(=O)(=O)N1CCC([NH2+]Cc2nc3ccc(F)cc3s2)CC1 ZINC000428883662 563504464 /nfs/dbraw/zinc/50/44/64/563504464.db2.gz SPEZEWAHLXHZGN-UHFFFAOYSA-N 1 0 385.530 2.975 20 0 GFADRO Cc1ccc(Br)cc1S(=O)(=O)N1CCC[C@@H]([NH+](C)C)CC1 ZINC000428878683 563504492 /nfs/dbraw/zinc/50/44/92/563504492.db2.gz FANMHNSBVBMCFO-CQSZACIVSA-N 1 0 375.332 2.862 20 0 GFADRO COc1ccc(CC[NH2+]Cc2ccc(C(F)(F)F)s2)cc1S(N)(=O)=O ZINC000428872192 563504494 /nfs/dbraw/zinc/50/44/94/563504494.db2.gz OLPFTNVCNCAEDX-UHFFFAOYSA-N 1 0 394.440 2.755 20 0 GFADRO C[C@@H](NC(=O)C1CCN(C(=O)c2ccc(Cl)s2)CC1)[C@H]1CCC[NH2+]C1 ZINC000428941659 563504791 /nfs/dbraw/zinc/50/47/91/563504791.db2.gz KBYGQWXIXNWSRJ-OCCSQVGLSA-N 1 0 383.945 2.758 20 0 GFADRO C[C@@H]([NH2+][C@H]1CCN(c2ccccc2Cl)C1)c1ccc(S(N)(=O)=O)cc1 ZINC000378423004 563506100 /nfs/dbraw/zinc/50/61/00/563506100.db2.gz BSDDZTAMPBVKQA-HIFRSBDPSA-N 1 0 379.913 2.917 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCN(c2ccccc2Cl)C1)c1cccc(S(N)(=O)=O)c1 ZINC000378427391 563506910 /nfs/dbraw/zinc/50/69/10/563506910.db2.gz IHWATQNKZGNDLT-DZGCQCFKSA-N 1 0 379.913 2.917 20 0 GFADRO C[C@@H](NC(=O)c1cc(=O)[nH]c2ccc(Br)cc21)[C@@H]1CCC[NH2+]C1 ZINC000429008471 563507197 /nfs/dbraw/zinc/50/71/97/563507197.db2.gz NNAXZRANPSYPJQ-GHMZBOCLSA-N 1 0 378.270 2.821 20 0 GFADRO Cc1cc(COc2ccc(C(=O)NCC[C@@H](C)[NH3+])cc2Br)on1 ZINC000429016980 563507951 /nfs/dbraw/zinc/50/79/51/563507951.db2.gz BSHOAEFFFJKNIQ-SNVBAGLBSA-N 1 0 382.258 2.792 20 0 GFADRO CCCN(C(=O)c1cc(F)ccc1I)[C@@H]1CC[NH2+]C1 ZINC000429100679 563509925 /nfs/dbraw/zinc/50/99/25/563509925.db2.gz QBMLHSUJOCBRBG-LLVKDONJSA-N 1 0 376.213 2.644 20 0 GFADRO COc1cc(Br)c(CN2CCC([N@@H+]3CCO[C@@H](C)C3)CC2)cc1O ZINC000378502159 563510238 /nfs/dbraw/zinc/51/02/38/563510238.db2.gz XOINCGRUDFHMMP-ZDUSSCGKSA-N 1 0 399.329 2.848 20 0 GFADRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+][C@@H](C)C(=O)Nc1ccc(C)cc1Br ZINC000330543192 563510439 /nfs/dbraw/zinc/51/04/39/563510439.db2.gz AVVLJNDDPKZJEI-OUCADQQQSA-N 1 0 382.302 2.589 20 0 GFADRO CCC[N@H+](CCCC(=O)Nc1c(C)cc(Br)cc1C)CC(N)=O ZINC000429130979 563511002 /nfs/dbraw/zinc/51/10/02/563511002.db2.gz WHFPSQMKPJCRQW-UHFFFAOYSA-N 1 0 384.318 2.982 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)N1CCC[C@@](O)(C(F)(F)F)CC1)c1cccs1 ZINC000285262613 563511873 /nfs/dbraw/zinc/51/18/73/563511873.db2.gz ZXYAIMDMUXSLEB-DOMZBBRYSA-N 1 0 379.448 2.840 20 0 GFADRO C[C@H](C(=O)N[C@@H](CO)C[NH+]1CCCCC1)c1ccc(Br)s1 ZINC000330608544 563513124 /nfs/dbraw/zinc/51/31/24/563513124.db2.gz MYYTWCBJPXFXEV-NWDGAFQWSA-N 1 0 375.332 2.577 20 0 GFADRO CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1c2cc(Br)ccc2CC1(C)C ZINC000429298453 563513940 /nfs/dbraw/zinc/51/39/40/563513940.db2.gz XDNDTRIMGJCYHD-QMTHXVAHSA-N 1 0 382.302 2.896 20 0 GFADRO Cn1ccnc1Sc1ncc(C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])cc1Cl ZINC000429296649 563514111 /nfs/dbraw/zinc/51/41/11/563514111.db2.gz SZJDQFNZEVEBAF-BXUZGUMPSA-N 1 0 379.917 2.867 20 0 GFADRO CC1(C)Cc2ccc(Br)cc2[C@H]1[NH2+]CCN1CCCS1(=O)=O ZINC000429296370 563514262 /nfs/dbraw/zinc/51/42/62/563514262.db2.gz BYBYKOHQWWXDMQ-OAHLLOKOSA-N 1 0 387.343 2.698 20 0 GFADRO C[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2c(Cl)cccc2Br)C1 ZINC000380064400 563514398 /nfs/dbraw/zinc/51/43/98/563514398.db2.gz GLNRFWBITLXMPW-JTQLQIEISA-N 1 0 381.723 2.723 20 0 GFADRO C[C@@H]1CN(S(=O)(=O)c2ccc(Br)cc2Cl)C[C@@]1(C)C[NH3+] ZINC000380186488 563514455 /nfs/dbraw/zinc/51/44/55/563514455.db2.gz CBZGLRJDSDWTKY-NOZJJQNGSA-N 1 0 381.723 2.708 20 0 GFADRO Cc1ccsc1[C@@H](Cc1ccccc1)[NH2+]CCNS(=O)(=O)NC(C)C ZINC000429424083 563516117 /nfs/dbraw/zinc/51/61/17/563516117.db2.gz KAFGNJWEBPSJOR-QGZVFWFLSA-N 1 0 381.567 2.762 20 0 GFADRO CC(=O)NC1CCC([NH2+]C[C@@H](CO)Cc2ccc(Br)cc2)CC1 ZINC000429447739 563517232 /nfs/dbraw/zinc/51/72/32/563517232.db2.gz IELMLEVOJUXWAI-ZLPCBKJTSA-N 1 0 383.330 2.637 20 0 GFADRO C[C@H]1CCC[N@@H+](C(C)(C)CNS(=O)(=O)c2cccnc2C(F)(F)F)C1 ZINC000330675282 563517539 /nfs/dbraw/zinc/51/75/39/563517539.db2.gz RQPGFQFAOREOFX-LBPRGKRZSA-N 1 0 379.448 2.889 20 0 GFADRO CS(=O)(=O)NCC1CC[NH+](CCCc2ccccc2Br)CC1 ZINC000285429269 563520194 /nfs/dbraw/zinc/52/01/94/563520194.db2.gz KMEGIQPOPJWMJB-UHFFFAOYSA-N 1 0 389.359 2.643 20 0 GFADRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+]CC(=O)Nc1ccc(Br)cc1Cl ZINC000429762574 563522070 /nfs/dbraw/zinc/52/20/70/563522070.db2.gz GJAITUBKAHWBJT-ZYHUDNBSSA-N 1 0 388.693 2.545 20 0 GFADRO N#Cc1ccccc1OC[C@H](O)C[NH2+]CCc1ccc(Br)s1 ZINC000390097357 563522739 /nfs/dbraw/zinc/52/27/39/563522739.db2.gz XJPWJNGXRLNAIG-CYBMUJFWSA-N 1 0 381.295 2.954 20 0 GFADRO CC[C@@H]1CCC[C@H]1[NH2+]CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000429769092 563522884 /nfs/dbraw/zinc/52/28/84/563522884.db2.gz DKLYIQOHSQZLBU-IUODEOHRSA-N 1 0 387.933 2.697 20 0 GFADRO CN(C[C@H]1CCCN(Cc2cc(F)ccc2Br)C1)S(C)(=O)=O ZINC000285495428 563523723 /nfs/dbraw/zinc/52/37/23/563523723.db2.gz DXWQKWVKUJPJII-GFCCVEGCSA-N 1 0 393.322 2.692 20 0 GFADRO O[C@H](COc1cccc(Br)c1)C[N@@H+]1CCC[C@@](O)(C(F)(F)F)C1 ZINC000330849457 563523958 /nfs/dbraw/zinc/52/39/58/563523958.db2.gz DJSFHPIWYGWHOJ-JSGCOSHPSA-N 1 0 398.219 2.578 20 0 GFADRO COc1ccc([C@H](C)[NH2+]CCn2cc(Br)cn2)cc1NC(C)=O ZINC000285537930 563525917 /nfs/dbraw/zinc/52/59/17/563525917.db2.gz DBCQYCRYFYBOOI-NSHDSACASA-N 1 0 381.274 2.963 20 0 GFADRO O=C(CC[N@H+]1CCC[C@](O)(C(F)(F)F)CC1)N1CCc2sccc2C1 ZINC000285555251 563526572 /nfs/dbraw/zinc/52/65/72/563526572.db2.gz MROFKIBNUDEOHQ-MRXNPFEDSA-N 1 0 376.444 2.802 20 0 GFADRO O=S(=O)(c1cccc(OC(F)(F)F)c1)N1CCC2(CC[NH2+]CC2)CC1 ZINC000393176859 563528477 /nfs/dbraw/zinc/52/84/77/563528477.db2.gz NDRPRNMOAHDEPC-UHFFFAOYSA-N 1 0 378.416 2.740 20 0 GFADRO COCC[NH+](CCOC)C1CCN(Cc2nc(Cl)ccc2Cl)CC1 ZINC000285627783 563529253 /nfs/dbraw/zinc/52/92/53/563529253.db2.gz YMAGOBCIIDYJOX-UHFFFAOYSA-N 1 0 376.328 2.948 20 0 GFADRO CC[C@H]1C[C@H](C)C[N@@H+]1CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000330960761 563529403 /nfs/dbraw/zinc/52/94/03/563529403.db2.gz XRUDRQWEDSZVIT-JSGCOSHPSA-N 1 0 387.933 2.649 20 0 GFADRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1[C@H](C(N)=O)c1ccc(Br)cc1F ZINC000285645697 563530254 /nfs/dbraw/zinc/53/02/54/563530254.db2.gz RZODQEVHSYMRMQ-FFSVYQOJSA-N 1 0 384.293 2.673 20 0 GFADRO C[C@@H]([NH2+]C[C@@H](O)COC1CCOCC1)c1ccc(Br)cc1F ZINC000285659174 563531083 /nfs/dbraw/zinc/53/10/83/563531083.db2.gz MSCVLHVYJJDAKQ-DGCLKSJQSA-N 1 0 376.266 2.795 20 0 GFADRO CCN(C(=O)[C@H]1C[NH2+]CCO1)[C@@H]1CCSc2ccc(Br)cc21 ZINC000430107368 563533304 /nfs/dbraw/zinc/53/33/04/563533304.db2.gz SVMIVCCCPSJBND-ZIAGYGMSSA-N 1 0 385.327 2.823 20 0 GFADRO CC(C)[NH+]1CCC(C(=O)NC[C@@H](CO)Cc2ccc(Br)cc2)CC1 ZINC000430123134 563533822 /nfs/dbraw/zinc/53/38/22/563533822.db2.gz PARJKJFVYAVLOG-INIZCTEOSA-N 1 0 397.357 2.837 20 0 GFADRO CCC(C)(C)[NH2+][C@@H](C)C(=O)NC[C@H](CO)Cc1ccccc1Br ZINC000430131699 563534851 /nfs/dbraw/zinc/53/48/51/563534851.db2.gz YLJCNFBTCJMLCS-UONOGXRCSA-N 1 0 385.346 2.883 20 0 GFADRO Cc1[nH]c(=O)c(Br)cc1C(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000285775621 563536206 /nfs/dbraw/zinc/53/62/06/563536206.db2.gz TVSDDTSLXSXBPR-CYBMUJFWSA-N 1 0 382.302 2.806 20 0 GFADRO CS(=O)(=O)N[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(Br)c(F)c1 ZINC000331174653 563538403 /nfs/dbraw/zinc/53/84/03/563538403.db2.gz JKQYDYCSDVUFTN-KBPBESRZSA-N 1 0 379.295 2.538 20 0 GFADRO C[C@@H]1C[C@@H](N2CCOCC2)CN1C(=O)/C=C/c1ccc(Br)s1 ZINC000285827896 563538887 /nfs/dbraw/zinc/53/88/87/563538887.db2.gz OBUUEDIJLAIOCH-UXOHQCDBSA-N 1 0 385.327 2.845 20 0 GFADRO Cc1cc([C@@H]2CCC[N@@H+]2C[C@@H](O)CN2CCOCC2)ccc1Br ZINC000430230349 563539360 /nfs/dbraw/zinc/53/93/60/563539360.db2.gz YCPKJMFUPYCKBM-WMZOPIPTSA-N 1 0 383.330 2.588 20 0 GFADRO O=C(c1cn(C2CC[NH2+]CC2)nn1)N1CCc2c(ccc(Cl)c2Cl)C1 ZINC000430249500 563539790 /nfs/dbraw/zinc/53/97/90/563539790.db2.gz PGXZRZURUVVALZ-UHFFFAOYSA-N 1 0 380.279 2.708 20 0 GFADRO CC1CC[NH+](C[C@H](O)CNC(=O)c2cc(Br)c(F)cc2F)CC1 ZINC000430307353 563541169 /nfs/dbraw/zinc/54/11/69/563541169.db2.gz QTWQJOLFTOQBEI-LLVKDONJSA-N 1 0 391.256 2.550 20 0 GFADRO C[C@@H](O)C[N@@H+]1CCN(C(=O)Nc2cc3c(cc2Br)CCC3)[C@H](C)C1 ZINC000408049333 563542877 /nfs/dbraw/zinc/54/28/77/563542877.db2.gz YDJJSHROWKXHQA-CHWSQXEVSA-N 1 0 396.329 2.857 20 0 GFADRO C[NH+](C)[C@@H]1CCCN(C(=O)c2ccc(I)c(O)c2)CC1 ZINC000430426943 563542982 /nfs/dbraw/zinc/54/29/82/563542982.db2.gz NETSPFOLESQGPX-GFCCVEGCSA-N 1 0 388.249 2.553 20 0 GFADRO COCC[C@@]1(C(=O)N2CC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)CC[NH2+]C1 ZINC000430429057 563543281 /nfs/dbraw/zinc/54/32/81/563543281.db2.gz UCUBZJAWSFWBHA-KSSFIOAISA-N 1 0 387.307 2.989 20 0 GFADRO CC(C)[C@@](C)(C[NH3+])NCc1nnnn1-c1ccc(Cl)cc1C(F)(F)F ZINC000430561142 563546075 /nfs/dbraw/zinc/54/60/75/563546075.db2.gz JTJXHFSNQAHFLR-CQSZACIVSA-N 1 0 376.814 2.798 20 0 GFADRO C[C@@H]1CCCN(Cc2nc(Cc3cccc(Br)c3)no2)[C@H]1C[NH3+] ZINC000430594571 563546084 /nfs/dbraw/zinc/54/60/84/563546084.db2.gz GNNDEPSGCGQWCW-DOMZBBRYSA-N 1 0 379.302 2.982 20 0 GFADRO C[C@H]1CCCN(Cc2csc(-c3ccc(S(C)(=O)=O)cc3)n2)[C@H]1C[NH3+] ZINC000430591398 563546116 /nfs/dbraw/zinc/54/61/16/563546116.db2.gz AVTJVXHYABDJSS-GUYCJALGSA-N 1 0 379.551 2.773 20 0 GFADRO CC(C)(C)[NH+]1CCC(NS(=O)(=O)c2ccc(OC(F)F)c(F)c2)CC1 ZINC000331343814 563546420 /nfs/dbraw/zinc/54/64/20/563546420.db2.gz ZNDIIOQZJLWZDJ-UHFFFAOYSA-N 1 0 380.432 2.968 20 0 GFADRO C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1NC(=O)c1cc(F)c(F)cc1I ZINC000286053804 563547136 /nfs/dbraw/zinc/54/71/36/563547136.db2.gz LLGIOXJCULBFHL-BFHDXFOESA-N 1 0 394.203 2.686 20 0 GFADRO CC[C@H](C[C@@H](C)CO)[NH2+][C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430719059 563548083 /nfs/dbraw/zinc/54/80/83/563548083.db2.gz DHDUPYZSTUYGSI-NTZNESFSSA-N 1 0 393.347 2.544 20 0 GFADRO C[C@H]([NH2+]C[C@H](C)C(F)(F)F)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430740746 563548176 /nfs/dbraw/zinc/54/81/76/563548176.db2.gz CEEOHQZNRXRSRL-YUMQZZPRSA-N 1 0 389.237 2.946 20 0 GFADRO [NH3+][C@H]1CCCCCC[C@H]1C(=O)NCc1nc2cc(Br)cnc2[nH]1 ZINC000430796293 563548983 /nfs/dbraw/zinc/54/89/83/563548983.db2.gz YGKHFUPHUOXDKA-NEPJUHHUSA-N 1 0 380.290 2.634 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S(=O)(=O)CC[NH2+][C@H]1CCC[C@@H]1CC ZINC000286283101 563554790 /nfs/dbraw/zinc/55/47/90/563554790.db2.gz UQVNTHYVQSZLDN-HOTGVXAUSA-N 1 0 387.567 2.812 20 0 GFADRO Cc1cc(C(=O)NC[C@H]2CC[N@@H+](C)C2)nn1-c1ccc(Br)cc1 ZINC000431172747 563555506 /nfs/dbraw/zinc/55/55/06/563555506.db2.gz LRGGMQAALPSOPJ-CYBMUJFWSA-N 1 0 377.286 2.625 20 0 GFADRO C[C@H]1C[C@@H](N(C)C(=O)c2cnc3ccc(Br)cc3c2O)CC[N@@H+]1C ZINC000408438904 563555609 /nfs/dbraw/zinc/55/56/09/563555609.db2.gz LXZFGFCCTBUPHK-AAEUAGOBSA-N 1 0 392.297 2.845 20 0 GFADRO C[NH+]1CCC2(CCCN2S(=O)(=O)c2cc(C(F)(F)F)ccc2[O-])CC1 ZINC000408462354 563556967 /nfs/dbraw/zinc/55/69/67/563556967.db2.gz YLSDFCUDNLHVFS-UHFFFAOYSA-N 1 0 378.416 2.660 20 0 GFADRO O=C(Nc1ccc(Br)cn1)[C@H]1CCC[N@@H+](CC2(O)CCCC2)C1 ZINC000331700440 563558357 /nfs/dbraw/zinc/55/83/57/563558357.db2.gz WYXVBIZUNPXXCP-ZDUSSCGKSA-N 1 0 382.302 2.800 20 0 GFADRO CN(C(=O)NCC1(C)CC[NH2+]CC1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000331710027 563559004 /nfs/dbraw/zinc/55/90/04/563559004.db2.gz KFKXKQUECLOLLN-JKSUJKDBSA-N 1 0 386.323 2.983 20 0 GFADRO O=S(=O)(CCC[N@H+](C[C@@H]1CCCO1)[C@@H]1CCSC1)c1ccc(F)cc1 ZINC000409449608 563560868 /nfs/dbraw/zinc/56/08/68/563560868.db2.gz VGSGYMXIDQMYMV-SJORKVTESA-N 1 0 387.542 2.976 20 0 GFADRO Cc1cc(C)c(S(=O)(=O)N2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)s1 ZINC000431522026 563562247 /nfs/dbraw/zinc/56/22/47/563562247.db2.gz TVNUXBXMBMSOAF-GJZGRUSLSA-N 1 0 386.583 2.875 20 0 GFADRO CC[C@@H]1CN(C(=O)c2cc(Br)cc3nc[nH]c32)CC[N@@H+]1CCOC ZINC000331790837 563562204 /nfs/dbraw/zinc/56/22/04/563562204.db2.gz HAUDPBSCFWIKLR-CYBMUJFWSA-N 1 0 395.301 2.508 20 0 GFADRO Cc1cc(C)c(S(=O)(=O)N2CCC(N3CC[NH+](C(C)C)CC3)CC2)s1 ZINC000431549387 563562755 /nfs/dbraw/zinc/56/27/55/563562755.db2.gz HNYZNFDCSKTXHC-UHFFFAOYSA-N 1 0 385.599 2.544 20 0 GFADRO O=C(Nc1cc(Cl)cc(Cl)c1)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000331820025 563563593 /nfs/dbraw/zinc/56/35/93/563563593.db2.gz PWDDQDCWALFTFK-LBPRGKRZSA-N 1 0 385.295 2.669 20 0 GFADRO Cc1nn(C)c(C)c1[C@H]1[C@H]([NH2+]Cc2ccc(Br)cc2)CC(=O)N1C ZINC000331952762 563568283 /nfs/dbraw/zinc/56/82/83/563568283.db2.gz GUAIGBGNFYPUNM-CRAIPNDOSA-N 1 0 391.313 2.861 20 0 GFADRO C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000409711712 563569360 /nfs/dbraw/zinc/56/93/60/563569360.db2.gz MJOFDAUYAPPJNZ-DZGCQCFKSA-N 1 0 389.323 2.970 20 0 GFADRO O=C(N[C@@H](CO)c1cccc(Cl)c1F)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000331984098 563570011 /nfs/dbraw/zinc/57/00/11/563570011.db2.gz YNKGZGJYLCELPX-CJNGLKHVSA-N 1 0 386.920 2.846 20 0 GFADRO Cc1c([C@H]2[C@H]([NH2+]Cc3ccc(Br)cc3)CC(=O)N2C)cnn1C ZINC000332018077 563572155 /nfs/dbraw/zinc/57/21/55/563572155.db2.gz PLMMFSKZFVMFJQ-WBVHZDCISA-N 1 0 377.286 2.553 20 0 GFADRO Cc1c([C@H]2[C@H]([NH2+]Cc3ccc(F)c(Br)c3)CC(=O)N2C)cnn1C ZINC000332039278 563573097 /nfs/dbraw/zinc/57/30/97/563573097.db2.gz UKDGMPQMWPUIPZ-WBVHZDCISA-N 1 0 395.276 2.692 20 0 GFADRO Cc1nn(C)c(C)c1[C@H]1[C@H]([NH2+]Cc2ccccc2Br)CC(=O)N1C ZINC000332046460 563573141 /nfs/dbraw/zinc/57/31/41/563573141.db2.gz VZZRQCXOPMANDA-CRAIPNDOSA-N 1 0 391.313 2.861 20 0 GFADRO NC(=O)[C@@H]1CCCN(C(=O)C[NH2+][C@H]2CCOc3c(Br)cccc32)C1 ZINC000332132824 563578550 /nfs/dbraw/zinc/57/85/50/563578550.db2.gz IJRSVWWGXZFIOO-RISCZKNCSA-N 1 0 396.285 2.636 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1cnc2ccc(Br)cc2c1O ZINC000332162242 563580601 /nfs/dbraw/zinc/58/06/01/563580601.db2.gz QFPAEPHFSUMSCV-CYBMUJFWSA-N 1 0 392.297 2.847 20 0 GFADRO C[C@H]1C[N@H+](CCCNS(=O)(=O)c2ccc(Cl)c(Cl)c2)CCCO1 ZINC000432323397 563580756 /nfs/dbraw/zinc/58/07/56/563580756.db2.gz DYLCZLDPYBLUEE-LBPRGKRZSA-N 1 0 381.325 2.773 20 0 GFADRO C[C@@H]1CCN(C(=O)c2cc(=O)[nH]c3c(Br)cccc23)C[C@@H]1C[NH3+] ZINC000332224277 563585079 /nfs/dbraw/zinc/58/50/79/563585079.db2.gz NMKBMSNQLKLIJA-MNOVXSKESA-N 1 0 378.270 2.760 20 0 GFADRO CC[N@@H+]1CCCN(C(=O)Nc2ccc(S(C)(=O)=O)c(C(F)F)c2)CC1 ZINC000332252090 563587700 /nfs/dbraw/zinc/58/77/00/563587700.db2.gz ARXZGNGKNURVKJ-UHFFFAOYSA-N 1 0 375.441 2.587 20 0 GFADRO CC(C)(O)C[NH+]1CCN(C(=O)N[C@H]2COc3c2ccc(Cl)c3Cl)CC1 ZINC000332334054 563593369 /nfs/dbraw/zinc/59/33/69/563593369.db2.gz QWRJPGVAVJYPRG-ZDUSSCGKSA-N 1 0 388.295 2.525 20 0 GFADRO Cc1cccc(NC(=O)C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)c1Br ZINC000332342818 563594445 /nfs/dbraw/zinc/59/44/45/563594445.db2.gz XINHFYTZCHXQIQ-AWEZNQCLSA-N 1 0 394.313 2.783 20 0 GFADRO Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)[NH2+]C[C@H](O)COCC(F)(F)F ZINC000432857413 563595371 /nfs/dbraw/zinc/59/53/71/563595371.db2.gz DSWUIJUIUUSFQW-KCJUWKMLSA-N 1 0 377.329 2.653 20 0 GFADRO CN(c1ccc(Br)cn1)S(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000432881670 563595951 /nfs/dbraw/zinc/59/59/51/563595951.db2.gz SNIJEZJXPSMVNQ-UHFFFAOYSA-N 1 0 384.299 2.731 20 0 GFADRO CSC1(CNC(=O)c2nc(C)sc2Br)CC[NH+](C)CC1 ZINC000410878280 563598846 /nfs/dbraw/zinc/59/88/46/563598846.db2.gz WUIZNJDIBNEWBZ-UHFFFAOYSA-N 1 0 378.361 2.771 20 0 GFADRO COC[C@H]([NH2+][C@H](C)CC(=O)Nc1cccc(Br)c1)[C@H]1CCCO1 ZINC000432998619 563599493 /nfs/dbraw/zinc/59/94/93/563599493.db2.gz QXFTYMVMSZPMFV-UHOFOFEASA-N 1 0 385.302 2.950 20 0 GFADRO COC(=O)c1ccc(C[NH2+]C[C@H](CO)Cc2cccc(Br)c2)o1 ZINC000433036046 563600823 /nfs/dbraw/zinc/60/08/23/563600823.db2.gz QKBXKMBPURNBIL-CYBMUJFWSA-N 1 0 382.254 2.770 20 0 GFADRO C[C@H](CNC(=O)C(=O)Nc1cccc(Br)c1)[N@@H+]1CCCC[C@H]1C ZINC000332595536 563606739 /nfs/dbraw/zinc/60/67/39/563606739.db2.gz IGSOQCOTBVIIQB-CHWSQXEVSA-N 1 0 382.302 2.767 20 0 GFADRO CC[NH+](CC)[C@@H]1CCN([C@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000433240067 563607614 /nfs/dbraw/zinc/60/76/14/563607614.db2.gz JZWYBKVFCSAMOL-SJORKVTESA-N 1 0 380.330 2.971 20 0 GFADRO CN(C[C@@H]1CCC[N@H+](C)C1)[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000433237461 563607650 /nfs/dbraw/zinc/60/76/50/563607650.db2.gz XCNBQFSZPBLTBI-RHSMWYFYSA-N 1 0 380.330 2.828 20 0 GFADRO C[C@@H](C(=O)NC(=O)NC1CC1)[N@@H+]1CC[C@@H](Cc2ccc(Br)cc2)C1 ZINC000433311174 563608988 /nfs/dbraw/zinc/60/89/88/563608988.db2.gz KYHFSURIXKLKMJ-JSGCOSHPSA-N 1 0 394.313 2.690 20 0 GFADRO CN(C)S(=O)(=O)CCC[N@@H+]1CC[C@H](Cc2ccc(Br)cc2)C1 ZINC000433301453 563609459 /nfs/dbraw/zinc/60/94/59/563609459.db2.gz VQFOWIKRVWWRAM-OAHLLOKOSA-N 1 0 389.359 2.595 20 0 GFADRO C[C@@H]1CCN(C(=O)N[C@@H]2CCN(c3ccc(Br)cc3)C2)C[C@H]1C[NH3+] ZINC000332647648 563609570 /nfs/dbraw/zinc/60/95/70/563609570.db2.gz JDNFQENRVNYWFC-IIAWOOMASA-N 1 0 395.345 2.654 20 0 GFADRO C[C@@H]1[C@H](C)N(C(=O)Nc2ccn(-c3ccc(Br)cc3)n2)CC[N@H+]1C ZINC000332697620 563612409 /nfs/dbraw/zinc/61/24/09/563612409.db2.gz WGQUVKWZFAYBBC-OLZOCXBDSA-N 1 0 392.301 3.191 20 0 GFADRO [NH3+][C@H]1CCCO[C@H]1C1CCN(Cc2cc3c(cc2Br)OCO3)CC1 ZINC000333078311 563619254 /nfs/dbraw/zinc/61/92/54/563619254.db2.gz AGRLGWGQQKJSNG-YJBOKZPZSA-N 1 0 397.313 2.896 20 0 GFADRO CNc1cc(I)ccc1C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000411508191 563621713 /nfs/dbraw/zinc/62/17/13/563621713.db2.gz AEVVRHPLETXRGT-UHFFFAOYSA-N 1 0 399.276 2.501 20 0 GFADRO COc1ccc(CCNS(=O)(=O)c2ccc(C[NH+](C)C)cc2)c(Cl)c1 ZINC000433870090 563621969 /nfs/dbraw/zinc/62/19/69/563621969.db2.gz PAPHOCQVTAXFJH-UHFFFAOYSA-N 1 0 382.913 2.931 20 0 GFADRO O=C(Nc1cnn(-c2ccccc2Br)c1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000333189823 563623447 /nfs/dbraw/zinc/62/34/47/563623447.db2.gz USEOBYCEQJAKRO-SWLSCSKDSA-N 1 0 390.285 2.851 20 0 GFADRO O=C(Nc1ccc2nccnc2c1Br)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000333254641 563626002 /nfs/dbraw/zinc/62/60/02/563626002.db2.gz CZSKFIDTAAXWHA-IJLUTSLNSA-N 1 0 390.285 2.902 20 0 GFADRO COc1cc(OC)c(NC(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)cc1Br ZINC000333364100 563629632 /nfs/dbraw/zinc/62/96/32/563629632.db2.gz TZVIQXRXCKRJNZ-MNOVXSKESA-N 1 0 384.274 2.540 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)Nc3ccc4nccnc4c3Br)C[C@@H]21 ZINC000333370511 563629640 /nfs/dbraw/zinc/62/96/40/563629640.db2.gz UYWFAEMVVHIDPT-GRYCIOLGSA-N 1 0 390.285 2.983 20 0 GFADRO C[C@H]([NH2+]CC(=O)N(C)Cc1cccs1)C1CCN(CC(F)(F)F)CC1 ZINC000411691575 563630345 /nfs/dbraw/zinc/63/03/45/563630345.db2.gz NOABNJHSVZPOIO-ZDUSSCGKSA-N 1 0 377.476 2.959 20 0 GFADRO COC(=O)C[C@@](C)([NH2+]Cc1ccnc(N)c1)c1ccc(Br)cc1 ZINC000411728717 563631776 /nfs/dbraw/zinc/63/17/76/563631776.db2.gz SXNHZXQSVBPGNE-QGZVFWFLSA-N 1 0 378.270 2.994 20 0 GFADRO C[C@](CO)([NH2+]CCC(=O)Nc1cccc(Br)c1)c1cccc(O)c1 ZINC000411739291 563632105 /nfs/dbraw/zinc/63/21/05/563632105.db2.gz WFPRBUQVVNGIQO-GOSISDBHSA-N 1 0 393.281 2.981 20 0 GFADRO C[N@@H+]1CCC[C@H](CNC(=O)NCC2([S@@](C)=O)CCC2)[C@H]1c1cccs1 ZINC000333448937 563632753 /nfs/dbraw/zinc/63/27/53/563632753.db2.gz NGIUTIVJQAFDQF-PYCCUYLESA-N 1 0 383.583 2.731 20 0 GFADRO Cc1ncsc1CCS(=O)(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000333458649 563633457 /nfs/dbraw/zinc/63/34/57/563633457.db2.gz UBDPIMROTHQXMY-NVXWUHKLSA-N 1 0 385.599 2.910 20 0 GFADRO O=C(NCc1cc2cc(Br)ccc2[nH]1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000333480140 563633906 /nfs/dbraw/zinc/63/39/06/563633906.db2.gz BIZASPHDNUVVDI-NHYWBVRUSA-N 1 0 377.286 2.824 20 0 GFADRO O=C(N[C@H]1CCC[NH2+]C1)N1CCC[C@@H](Nc2cccc(Br)c2)C1 ZINC000333493988 563634043 /nfs/dbraw/zinc/63/40/43/563634043.db2.gz DOYZKBWPCYJDSN-JKSUJKDBSA-N 1 0 381.318 2.787 20 0 GFADRO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)[C@@H](c1ccc(Cl)cc1Cl)N1CCOCC1 ZINC000434706814 563635567 /nfs/dbraw/zinc/63/55/67/563635567.db2.gz LTIVXYKCBPFDLF-JCURWCKSSA-N 1 0 386.323 2.623 20 0 GFADRO O=C(NC1CC1)[C@H](O)C1CC[NH+](CCCc2ccccc2Br)CC1 ZINC000434712998 563636553 /nfs/dbraw/zinc/63/65/53/563636553.db2.gz XXKDCVNDTKNEBG-GOSISDBHSA-N 1 0 395.341 2.733 20 0 GFADRO OCC[C@@]1([NH2+]Cc2cc(Br)cc(Br)c2)CCOC1 ZINC000288318383 563638173 /nfs/dbraw/zinc/63/81/73/563638173.db2.gz ACIMNMUCAINTKY-CYBMUJFWSA-N 1 0 379.092 2.843 20 0 GFADRO COc1ccc(C[NH2+]CCCn2cc(Br)cn2)c(OC)c1OC ZINC000288347147 563639627 /nfs/dbraw/zinc/63/96/27/563639627.db2.gz BUWCLVFLXBYQKN-UHFFFAOYSA-N 1 0 384.274 2.851 20 0 GFADRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)Cc2cc[nH]c(=O)c2Br)C1 ZINC000333705256 563639696 /nfs/dbraw/zinc/63/96/96/563639696.db2.gz LEDCSRMIPAEEME-VNHYZAJKSA-N 1 0 396.329 2.956 20 0 GFADRO [NH3+][C@@H]1CCO[C@@H](C2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)C1 ZINC000333724647 563640440 /nfs/dbraw/zinc/64/04/40/563640440.db2.gz VFHCPUUQIYFOFH-IUODEOHRSA-N 1 0 393.336 2.900 20 0 GFADRO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(S(=O)(=O)c2csc3ccccc32)CC1 ZINC000333754106 563641045 /nfs/dbraw/zinc/64/10/45/563641045.db2.gz ZMFNNZUBFZDSTJ-CRAIPNDOSA-N 1 0 380.535 2.808 20 0 GFADRO [NH3+][C@H]1CCCO[C@H]1C1CCN(C(=O)c2ccc(F)cc2Br)CC1 ZINC000333764597 563641149 /nfs/dbraw/zinc/64/11/49/563641149.db2.gz AZERXXAPVWUAHL-HOTGVXAUSA-N 1 0 385.277 2.947 20 0 GFADRO O=C(N[C@H](c1cncc(Br)c1)C1CC1)N1CCC2(CC[NH2+]2)CC1 ZINC000333808459 563642360 /nfs/dbraw/zinc/64/23/60/563642360.db2.gz IVMOYRMERRDXAU-HNNXBMFYSA-N 1 0 379.302 2.833 20 0 GFADRO O=C(c1ccn(-c2cccc(Br)c2)n1)N1CCC2(CC[NH2+]2)CC1 ZINC000333814232 563642469 /nfs/dbraw/zinc/64/24/69/563642469.db2.gz JWSBUWOCCZSKNW-UHFFFAOYSA-N 1 0 375.270 2.603 20 0 GFADRO C[C@@H](CN1CCOCC1)[N@H+](C)Cc1cc(Br)c2c(c1)OCCCO2 ZINC000435053206 563642573 /nfs/dbraw/zinc/64/25/73/563642573.db2.gz NOZIWPMJBDYSPM-AWEZNQCLSA-N 1 0 399.329 2.763 20 0 GFADRO O=C(N[C@H](c1cncc(Br)c1)C1CC1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000333824001 563643050 /nfs/dbraw/zinc/64/30/50/563643050.db2.gz ROKRPYOUCRLLPX-DOTOQJQBSA-N 1 0 379.302 2.690 20 0 GFADRO CC(C)(C)CC[NH+]1CCN(C(=O)c2nc3ccc(Br)cn3n2)CC1 ZINC000333905214 563645403 /nfs/dbraw/zinc/64/54/03/563645403.db2.gz CLQIVDZTCAWQQM-UHFFFAOYSA-N 1 0 394.317 2.686 20 0 GFADRO COC(=O)[C@@]1(C)CCC[N@H+](CC(=O)N[C@@H](C)c2ccc(Br)cc2)C1 ZINC000412095134 563648866 /nfs/dbraw/zinc/64/88/66/563648866.db2.gz FKHQKZXOOIRNSO-UGSOOPFHSA-N 1 0 397.313 2.901 20 0 GFADRO COc1cc(C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)cc(Br)c1OC ZINC000333984665 563649157 /nfs/dbraw/zinc/64/91/57/563649157.db2.gz GSDXJVIXLHOSLT-FZMZJTMJSA-N 1 0 385.302 2.925 20 0 GFADRO C[C@@H]1C[N@H+](CCCNS(=O)(=O)c2c(Cl)cc(F)cc2Cl)CCCO1 ZINC000435424257 563649774 /nfs/dbraw/zinc/64/97/74/563649774.db2.gz UMVWDHWKFUHNFR-LLVKDONJSA-N 1 0 399.315 2.912 20 0 GFADRO CC[NH+](CC)[C@H](C)CNC(=O)[C@H]1CC(=O)Nc2ccc(Br)cc21 ZINC000435456224 563651811 /nfs/dbraw/zinc/65/18/11/563651811.db2.gz FONDBDOWSPDKTI-RISCZKNCSA-N 1 0 382.302 2.721 20 0 GFADRO CC1(C(=O)Nc2n[nH]cc2Br)CC[NH+](Cc2ccccc2)CC1 ZINC000412341389 563654544 /nfs/dbraw/zinc/65/45/44/563654544.db2.gz SCNLAUHJMWJUNV-UHFFFAOYSA-N 1 0 377.286 3.413 20 0 GFADRO O=C(Nc1cccc(Br)c1)C1CCN(C(=O)[C@@H]2CCC[NH2+]C2)CC1 ZINC000288751639 563655728 /nfs/dbraw/zinc/65/57/28/563655728.db2.gz NFXNMZOHAMCNJE-CQSZACIVSA-N 1 0 394.313 2.626 20 0 GFADRO Cc1nn(-c2ccc(C(=O)NC[C@H](C)[NH+](C)C)cc2)c(C)c1Br ZINC000412382486 563655961 /nfs/dbraw/zinc/65/59/61/563655961.db2.gz DMVQNFFTDUWVFS-NSHDSACASA-N 1 0 379.302 2.932 20 0 GFADRO COCCOCC[N@H+](C)CCC(=O)Nc1ccc(Br)cc1F ZINC000288765818 563656428 /nfs/dbraw/zinc/65/64/28/563656428.db2.gz HWVVLSUPZKQLAB-UHFFFAOYSA-N 1 0 377.254 2.512 20 0 GFADRO COC[C@@H]([NH2+]C[C@@H](O)c1ccc(S(C)(=O)=O)cc1)c1cccc(Cl)c1 ZINC000288771306 563656482 /nfs/dbraw/zinc/65/64/82/563656482.db2.gz JPPVWSAZYYXOPO-QZTJIDSGSA-N 1 0 383.897 2.754 20 0 GFADRO Cc1ccsc1CNC(=O)CN(Cc1scnc1C)C[C@@H]1CC[NH2+]C1 ZINC000435735622 563657748 /nfs/dbraw/zinc/65/77/48/563657748.db2.gz OOKPTZHTLMPZIK-OAHLLOKOSA-N 1 0 378.567 2.549 20 0 GFADRO O=C1[C@H]2CSCCN2C(=O)N1C[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000349226848 563661794 /nfs/dbraw/zinc/66/17/94/563661794.db2.gz MBVDJEHAGKQASI-HZPDHXFCSA-N 1 0 379.913 2.857 20 0 GFADRO O=C(N[C@@H]1CCN(c2ccc(Br)cc2)C1)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000436300557 563668563 /nfs/dbraw/zinc/66/85/63/563668563.db2.gz JQMACWSFCXSSJT-DDUZABMNSA-N 1 0 378.314 2.534 20 0 GFADRO CN(C)S(=O)(=O)c1ccc(C[NH2+]Cc2c[nH]nc2-c2ccsc2)cc1 ZINC000436276724 563668672 /nfs/dbraw/zinc/66/86/72/563668672.db2.gz UOUIWSHWWSSNQP-UHFFFAOYSA-N 1 0 376.507 2.678 20 0 GFADRO CCN(CC)S(=O)(=O)c1ccc(C[NH2+]Cc2cnc([C@H](C)O)s2)cc1 ZINC000289255197 563672980 /nfs/dbraw/zinc/67/29/80/563672980.db2.gz MDYRRJRINZMZNM-ZDUSSCGKSA-N 1 0 383.539 2.517 20 0 GFADRO CN(C[C@H]1CCCN(Cc2ccc(F)cc2C(F)(F)F)C1)S(C)(=O)=O ZINC000289398470 563673560 /nfs/dbraw/zinc/67/35/60/563673560.db2.gz OIWXAIQZAIEELX-GFCCVEGCSA-N 1 0 382.423 2.948 20 0 GFADRO CN(Cc1cc(Br)cs1)C(=O)C[NH2+][C@@H](CO)C1CCCC1 ZINC000289474564 563675080 /nfs/dbraw/zinc/67/50/80/563675080.db2.gz IGHFXDCWZXEFSA-AWEZNQCLSA-N 1 0 375.332 2.610 20 0 GFADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1Cc1nc2ccccn2c1Br ZINC000289540805 563677695 /nfs/dbraw/zinc/67/76/95/563677695.db2.gz FRQBFFZWWCRRLA-AWEZNQCLSA-N 1 0 393.329 2.782 20 0 GFADRO CN(C)C(=O)[C@@H]1CCC[C@@H]([NH2+]Cc2cn3ccc(Br)cc3n2)C1 ZINC000289565702 563678845 /nfs/dbraw/zinc/67/88/45/563678845.db2.gz RKWYLYGOVKSBHG-TZMCWYRMSA-N 1 0 379.302 2.833 20 0 GFADRO O[C@H](C[NH2+]Cc1cnc(C2OCCO2)s1)c1cccc(Br)c1 ZINC000289580092 563679380 /nfs/dbraw/zinc/67/93/80/563679380.db2.gz HYKJHWZVJCHILH-CYBMUJFWSA-N 1 0 385.283 2.774 20 0 GFADRO COc1cccc(C(=O)NCC[NH2+][C@@H](C)c2ccc(Br)nc2)c1 ZINC000289632093 563681337 /nfs/dbraw/zinc/68/13/37/563681337.db2.gz HJALNIPVTXRBRX-LBPRGKRZSA-N 1 0 378.270 2.933 20 0 GFADRO Cc1cc(Br)cc2cc(C(=O)N3CCN([C@@H]4CC[NH2+]C4)CC3)oc21 ZINC000289640143 563681471 /nfs/dbraw/zinc/68/14/71/563681471.db2.gz BXOGIHJQGKDPAY-OAHLLOKOSA-N 1 0 392.297 2.623 20 0 GFADRO CC[NH+](CC)[C@H](C)CNC(=O)NCc1cc(Cl)cc(S(=O)(=O)CC)c1 ZINC000413113601 563682089 /nfs/dbraw/zinc/68/20/89/563682089.db2.gz WPUAWQIVAYXFTL-CYBMUJFWSA-N 1 0 389.949 2.663 20 0 GFADRO C[C@H]1C[C@@H](c2nc(CNC(=O)c3ccc(Br)cc3)no2)CC[N@@H+]1C ZINC000351217827 563683145 /nfs/dbraw/zinc/68/31/45/563683145.db2.gz ALAUVUMEXDHGLN-AAEUAGOBSA-N 1 0 393.285 2.960 20 0 GFADRO C[C@H](Cc1ccc(F)cc1Br)[NH2+][C@@H]1CCN(c2cnn(C)c2)C1=O ZINC000289748335 563684683 /nfs/dbraw/zinc/68/46/83/563684683.db2.gz NUHVRHQNZGSPCP-BDJLRTHQSA-N 1 0 395.276 2.648 20 0 GFADRO CCCN(CCN1CC[NH+](CC)CC1)C(=O)c1ccc(Br)cc1O ZINC000436928620 563685772 /nfs/dbraw/zinc/68/57/72/563685772.db2.gz SMEASENZPMCMRA-UHFFFAOYSA-N 1 0 398.345 2.644 20 0 GFADRO COc1c(Cl)cc(Cl)cc1C[N@@H+]1CCC[C@H]1C[C@@]1(C)NC(=O)NC1=O ZINC000289761957 563686013 /nfs/dbraw/zinc/68/60/13/563686013.db2.gz QYXQQHHVNLNHPI-YVEFUNNKSA-N 1 0 386.279 2.955 20 0 GFADRO CC[N@@H+]1C[C@H](C)N(C(=O)c2cc(I)ccc2O)C[C@@H]1C ZINC000436992973 563687574 /nfs/dbraw/zinc/68/75/74/563687574.db2.gz ZLBKLHUWARHNAG-QWRGUYRKSA-N 1 0 388.249 2.552 20 0 GFADRO COC(=O)[C@@H]1CN(C(=O)N[C@@H](C)c2cccc(Cl)c2Cl)CC[N@H+](C)C1 ZINC000413285986 563688145 /nfs/dbraw/zinc/68/81/45/563688145.db2.gz YMAWGBIXJSWQFX-RYUDHWBXSA-N 1 0 388.295 2.801 20 0 GFADRO Cc1[nH+]cc2n1CC[C@H](c1nc([C@@H](C)n3cc(Br)cn3)no1)C2 ZINC000351394463 563688347 /nfs/dbraw/zinc/68/83/47/563688347.db2.gz UDAQXAFNWGQPTK-KOLCDFICSA-N 1 0 377.246 2.873 20 0 GFADRO COc1cc(Br)c(CNC(=O)[C@@H]2CC[NH2+][C@@H]2C(C)C)cc1OC ZINC000289963847 563693100 /nfs/dbraw/zinc/69/31/00/563693100.db2.gz MYLXLJTUBRRMOQ-MLGOLLRUSA-N 1 0 385.302 2.717 20 0 GFADRO Cc1cc(Br)ccc1CC(=O)NC[C@@H]1CCC[C@@H]1[NH+]1CCOCC1 ZINC000360674142 563693377 /nfs/dbraw/zinc/69/33/77/563693377.db2.gz SLFBHJJPOXUNOJ-WMZOPIPTSA-N 1 0 395.341 2.917 20 0 GFADRO O=C(c1cn(-c2ccc(Br)cc2)cn1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000289989897 563693885 /nfs/dbraw/zinc/69/38/85/563693885.db2.gz RDPYFLKLBPJUQC-GOSISDBHSA-N 1 0 389.297 2.851 20 0 GFADRO COC(=O)[C@H]1CN(c2ccnc3c(Br)cccc23)CC[N@H+](C)C1 ZINC000413510678 563695615 /nfs/dbraw/zinc/69/56/15/563695615.db2.gz ZDFHLIQZKDOCFA-GFCCVEGCSA-N 1 0 378.270 2.538 20 0 GFADRO OC[C@@H](C[NH2+]Cc1cc(Br)cc(Br)c1)[C@H]1CCOC1 ZINC000290083737 563697342 /nfs/dbraw/zinc/69/73/42/563697342.db2.gz JCMWENVFCPOWQR-NWDGAFQWSA-N 1 0 393.119 2.946 20 0 GFADRO OC[C@H](C[NH2+]Cc1cc(Br)cc(Br)c1)[C@@H]1CCOC1 ZINC000290083734 563697512 /nfs/dbraw/zinc/69/75/12/563697512.db2.gz JCMWENVFCPOWQR-NEPJUHHUSA-N 1 0 393.119 2.946 20 0 GFADRO COc1ccc(C(=O)N2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)cc1Br ZINC000437592547 563697560 /nfs/dbraw/zinc/69/75/60/563697560.db2.gz RVJIZEZYXMNKLZ-UKPHBRMFSA-N 1 0 397.313 2.781 20 0 GFADRO C[C@H](C[NH2+]C1CCN(S(=O)(=O)c2cccs2)CC1)N1CCC(C)CC1 ZINC000361240154 563697779 /nfs/dbraw/zinc/69/77/79/563697779.db2.gz FCHKNISUTLOYKO-MRXNPFEDSA-N 1 0 385.599 2.611 20 0 GFADRO O=C(/C=C/c1csc(Br)c1)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000361256261 563697797 /nfs/dbraw/zinc/69/77/97/563697797.db2.gz ARCFTOZKSDPYIH-YUKKFKLSSA-N 1 0 385.327 2.893 20 0 GFADRO CCS(=O)(=O)c1cc(Cl)cc(CNC(=O)N[C@H](C)C[N@H+](C)C(C)C)c1 ZINC000413590504 563698494 /nfs/dbraw/zinc/69/84/94/563698494.db2.gz TZKCIOIYEUQWCL-CYBMUJFWSA-N 1 0 389.949 2.662 20 0 GFADRO COCCC[N@H+](C)CCNC(=O)N[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000437719084 563699034 /nfs/dbraw/zinc/69/90/34/563699034.db2.gz OASMSPHNEGOKJQ-JKSUJKDBSA-N 1 0 384.318 2.573 20 0 GFADRO CSc1cc(Br)ccc1C[NH2+][C@@H]1CCN(c2ccn(C)n2)C1=O ZINC000361786115 563701367 /nfs/dbraw/zinc/70/13/67/563701367.db2.gz WCLJKHYLFWBZEX-CYBMUJFWSA-N 1 0 395.326 2.800 20 0 GFADRO C[C@]1([C@H]2CCC[N@@H+]([C@@H]3CCc4c3cccc4Br)C2)NC(=O)NC1=O ZINC000362139366 563703554 /nfs/dbraw/zinc/70/35/54/563703554.db2.gz FJEWDPVKCRBAMB-BKGUAONASA-N 1 0 392.297 2.747 20 0 GFADRO Cc1cc(C(=O)N(C)[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)ccc1Br ZINC000362132762 563703826 /nfs/dbraw/zinc/70/38/26/563703826.db2.gz WNLIIYQDNXXBKI-KRWDZBQOSA-N 1 0 394.357 2.998 20 0 GFADRO Cc1ccc(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1I ZINC000362810806 563709674 /nfs/dbraw/zinc/70/96/74/563709674.db2.gz IAWASVNYTPZKMC-ZIAGYGMSSA-N 1 0 384.261 2.956 20 0 GFADRO Brc1cncc(Br)c1CN1C[C@@H]2CCC[NH2+][C@@H]2C1 ZINC000290439150 563710037 /nfs/dbraw/zinc/71/00/37/563710037.db2.gz NTQYMSYECMQCBD-TVQRCGJNSA-N 1 0 375.108 2.790 20 0 GFADRO CC1CC[NH+](CCCNS(=O)(=O)c2ccc(F)c(Br)c2)CC1 ZINC000438802023 563710858 /nfs/dbraw/zinc/71/08/58/563710858.db2.gz BHDVYCUQADQYGQ-UHFFFAOYSA-N 1 0 393.322 2.989 20 0 GFADRO O=C(c1cc(F)ccc1I)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000362966217 563711384 /nfs/dbraw/zinc/71/13/84/563711384.db2.gz BZXASZDYFXZEIV-LBPRGKRZSA-N 1 0 388.224 2.741 20 0 GFADRO CC[NH+]1CCC(NC(=O)[C@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)CC1 ZINC000363087244 563714416 /nfs/dbraw/zinc/71/44/16/563714416.db2.gz ZNKGBGSWZXUZIP-CQSZACIVSA-N 1 0 384.307 2.947 20 0 GFADRO CC[N@@H+]1CC[C@H](NC(=O)c2c(Cl)cccc2I)C1 ZINC000414003186 563714573 /nfs/dbraw/zinc/71/45/73/563714573.db2.gz DLBOUCVGOGTGMQ-VIFPVBQESA-N 1 0 378.641 2.769 20 0 GFADRO C[C@@H](c1ncc(Br)cn1)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000438990185 563714742 /nfs/dbraw/zinc/71/47/42/563714742.db2.gz XEXIKXBKRXFWSS-XHSDSOJGSA-N 1 0 396.377 2.791 20 0 GFADRO CC(C)c1noc(CCC[NH2+][C@@H](C)Cn2cc(Br)ccc2=O)n1 ZINC000414065558 563717373 /nfs/dbraw/zinc/71/73/73/563717373.db2.gz FYHAUPJNUDVPJG-LBPRGKRZSA-N 1 0 383.290 2.728 20 0 GFADRO CCS(=O)(=O)N1CC(C[NH2+][C@@H]2CCCc3ccc(Br)cc32)C1 ZINC000439140495 563718044 /nfs/dbraw/zinc/71/80/44/563718044.db2.gz JWRNCSDYFXJYOM-MRXNPFEDSA-N 1 0 387.343 2.698 20 0 GFADRO CCS(=O)(=O)N1CC(C[NH2+][C@H](C)c2ccc(Br)c(F)c2)C1 ZINC000439147507 563718201 /nfs/dbraw/zinc/71/82/01/563718201.db2.gz SGACLLYYIYQRDN-SNVBAGLBSA-N 1 0 379.295 2.520 20 0 GFADRO COC[C@@H](Cc1ccccc1)[NH2+][C@@H](C)Cn1cc(Br)ccc1=O ZINC000414121433 563720200 /nfs/dbraw/zinc/72/02/00/563720200.db2.gz ZNJKSSYAPHWFDO-WMLDXEAASA-N 1 0 379.298 2.847 20 0 GFADRO C[C@H](Cn1cc(Br)ccc1=O)[N@@H+]1CCC[C@@H](CC(C)(C)C(N)=O)C1 ZINC000414152263 563721356 /nfs/dbraw/zinc/72/13/56/563721356.db2.gz XCDBRZLIQQRPEZ-KGLIPLIRSA-N 1 0 398.345 2.613 20 0 GFADRO C[N@H+](C[C@@H](O)COc1cc(F)cc(Br)c1)[C@H]1CC[C@H](O)CC1 ZINC000439273165 563721664 /nfs/dbraw/zinc/72/16/64/563721664.db2.gz MTCKDTZPLPGMHC-RBSFLKMASA-N 1 0 376.266 2.563 20 0 GFADRO COc1cccc2c1C[C@@H]([NH2+][C@@H](C)Cn1cc(Br)ccc1=O)C2 ZINC000414183240 563721993 /nfs/dbraw/zinc/72/19/93/563721993.db2.gz NDEOWVQSFDMDHG-WFASDCNBSA-N 1 0 377.282 2.765 20 0 GFADRO Cn1nccc1C(=O)N(CC(C)(C)C[NH+](C)C)c1ccc(Br)cn1 ZINC000439303657 563722400 /nfs/dbraw/zinc/72/24/00/563722400.db2.gz XCWBMLGXWVLFQS-UHFFFAOYSA-N 1 0 394.317 2.812 20 0 GFADRO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+][C@H]2CCCC[C@H]2S(C)(=O)=O)c1 ZINC000414205776 563722443 /nfs/dbraw/zinc/72/24/43/563722443.db2.gz DEHHRNSMECRUDB-JKSUJKDBSA-N 1 0 393.958 2.579 20 0 GFADRO C[C@@H]1C[N@@H+](C2CCN(C(=O)COc3cccc(Br)c3)CC2)CCO1 ZINC000363433838 563722779 /nfs/dbraw/zinc/72/27/79/563722779.db2.gz MIZKYVAYDFMTOK-CQSZACIVSA-N 1 0 397.313 2.540 20 0 GFADRO O[C@H](COc1cc(F)cc(Br)c1)C[N@@H+]1CCOC2(CCCC2)C1 ZINC000439429126 563723560 /nfs/dbraw/zinc/72/35/60/563723560.db2.gz DTVJJLWSUAAACV-HNNXBMFYSA-N 1 0 388.277 2.973 20 0 GFADRO C[N@H+](C[C@@H](O)COc1cc(F)cc(Br)c1)C[C@@H]1CCCOC1 ZINC000439437852 563724762 /nfs/dbraw/zinc/72/47/62/563724762.db2.gz KSJAWKYKWFHAJV-SWLSCSKDSA-N 1 0 376.266 2.686 20 0 GFADRO CCOc1ccc(C[NH2+]Cc2ccc(S(N)(=O)=O)c(Cl)c2)cc1OC ZINC000414282266 563724864 /nfs/dbraw/zinc/72/48/64/563724864.db2.gz HFFCPZLYIHBSCV-UHFFFAOYSA-N 1 0 384.885 2.685 20 0 GFADRO O=C(CCc1cccc(Br)c1)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000363519484 563725314 /nfs/dbraw/zinc/72/53/14/563725314.db2.gz IAEJOVQWJOMNKS-KRWDZBQOSA-N 1 0 395.341 2.953 20 0 GFADRO C[C@H](O)C[C@@H]1CCC[N@@H+]1C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000439445175 563725646 /nfs/dbraw/zinc/72/56/46/563725646.db2.gz YFKAUJMGBYVNLT-CQDKDKBSSA-N 1 0 376.266 2.563 20 0 GFADRO C[C@H](O)C[C@@H]1CCC[N@@H+]1C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000439445180 563725704 /nfs/dbraw/zinc/72/57/04/563725704.db2.gz YFKAUJMGBYVNLT-TUKIKUTGSA-N 1 0 376.266 2.563 20 0 GFADRO COC1(C[NH2+]Cc2c(Br)cncc2Br)CCOCC1 ZINC000290975216 563728058 /nfs/dbraw/zinc/72/80/58/563728058.db2.gz XYUVDUIWJKMMGT-UHFFFAOYSA-N 1 0 394.107 2.892 20 0 GFADRO NC(=O)c1cn(CCCC[NH2+][C@H]2CCCc3ccc(Br)cc32)nn1 ZINC000414349461 563728247 /nfs/dbraw/zinc/72/82/47/563728247.db2.gz JZVPIXNIVPBBTD-HNNXBMFYSA-N 1 0 392.301 2.587 20 0 GFADRO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(CCCc2ccccc2Br)CC1 ZINC000363651083 563729541 /nfs/dbraw/zinc/72/95/41/563729541.db2.gz KBIAZFRSTKXUJC-GOSISDBHSA-N 1 0 394.357 2.796 20 0 GFADRO CC(C)(C)[NH2+]CCNC(=O)C(=O)Nc1cc(F)c(Br)cc1Cl ZINC000439847263 563732833 /nfs/dbraw/zinc/73/28/33/563732833.db2.gz BNTAKIJHBYIEBP-UHFFFAOYSA-N 1 0 394.672 2.684 20 0 GFADRO C[C@@H](C[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1)Oc1ccccc1 ZINC000414398596 563733507 /nfs/dbraw/zinc/73/35/07/563733507.db2.gz WMICPCYJBCZDHF-LBPRGKRZSA-N 1 0 399.310 2.654 20 0 GFADRO O=S(=O)(N1CCC([NH2+][C@@H]2CCCc3ccc(O)cc32)CC1)C(F)(F)F ZINC000291209207 563734627 /nfs/dbraw/zinc/73/46/27/563734627.db2.gz MQDFYRPWIQCGSU-OAHLLOKOSA-N 1 0 378.416 2.673 20 0 GFADRO O=C(Nc1nc(Br)ccc1O)C1CC[NH+](Cc2cccnc2)CC1 ZINC000363880147 563736402 /nfs/dbraw/zinc/73/64/02/563736402.db2.gz ALBBZEBNYKWRQD-UHFFFAOYSA-N 1 0 391.269 2.795 20 0 GFADRO COC(=O)c1cc(Br)cc(C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)c1 ZINC000291303411 563738390 /nfs/dbraw/zinc/73/83/90/563738390.db2.gz IJRMKTRNYHQQMH-WBMJQRKESA-N 1 0 395.297 2.792 20 0 GFADRO O=S(=O)(NC1CC[NH2+]CC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000440343885 563739271 /nfs/dbraw/zinc/73/92/71/563739271.db2.gz PXCBLXXJZZRHPH-UHFFFAOYSA-N 1 0 376.322 2.755 20 0 GFADRO CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1([NH3+])C(=O)NCCc1ccc(F)c(Br)c1 ZINC000364007504 563739947 /nfs/dbraw/zinc/73/99/47/563739947.db2.gz XDCYGCKJSDUKBL-WBHUJUFNSA-N 1 0 399.304 2.779 20 0 GFADRO O=S(=O)(c1cc(F)cc(Cl)c1)N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000414465065 563741515 /nfs/dbraw/zinc/74/15/15/563741515.db2.gz QXQKWXPRHWZGFS-INIZCTEOSA-N 1 0 390.908 2.745 20 0 GFADRO CCc1ncc(C[NH2+]C[C@H](CO)Cc2cc(Br)ccc2OC)cn1 ZINC000414464446 563742015 /nfs/dbraw/zinc/74/20/15/563742015.db2.gz UPLJUROCIYKJKN-CYBMUJFWSA-N 1 0 394.313 2.751 20 0 GFADRO CC1(c2ccc(Br)cc2)CC[NH+](CC(=O)NC(=O)NC2CC2)CC1 ZINC000440521337 563743752 /nfs/dbraw/zinc/74/37/52/563743752.db2.gz RKSKYYCAPZZHKR-UHFFFAOYSA-N 1 0 394.313 2.791 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S(=O)(=O)CC[NH2+][C@@H]1CCCC[C@@H]1C ZINC000440512886 563744193 /nfs/dbraw/zinc/74/41/93/563744193.db2.gz LJBUSHMPIAIMFO-JKSUJKDBSA-N 1 0 387.567 2.812 20 0 GFADRO CCn1cc(Br)cc1C(=O)N1C[C@@H]([NH3+])[C@@H](c2ccc(F)cc2)C1 ZINC000364163380 563745538 /nfs/dbraw/zinc/74/55/38/563745538.db2.gz XPWJXNCLIIOQOP-HUUCEWRRSA-N 1 0 380.261 2.977 20 0 GFADRO OC[C@@H]1C[N@H+](Cc2cnc(-c3ccc(Br)cc3)s2)CC[C@H]1O ZINC000414562794 563746510 /nfs/dbraw/zinc/74/65/10/563746510.db2.gz VLMLACFWXABEIA-SWLSCSKDSA-N 1 0 383.311 2.748 20 0 GFADRO C[C@@H](COc1ccc(Cl)c(Cl)c1)[NH2+]CCCCn1cc(C(N)=O)nn1 ZINC000414571310 563746847 /nfs/dbraw/zinc/74/68/47/563746847.db2.gz USTAFZYHOHZKMM-NSHDSACASA-N 1 0 386.283 2.521 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+][C@@H]1CCC[C@@H](CO)C1 ZINC000414571139 563747089 /nfs/dbraw/zinc/74/70/89/563747089.db2.gz KBKCYELFHWYUCS-WOSRLPQWSA-N 1 0 399.329 2.603 20 0 GFADRO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@@H](CO)[C@@H]1CCCOC1 ZINC000414569761 563747202 /nfs/dbraw/zinc/74/72/02/563747202.db2.gz ZTHBWYYLQPSBQR-IOASZLSFSA-N 1 0 385.302 2.543 20 0 GFADRO C[C@@H](NS(=O)(=O)c1cc(Cl)ccc1Br)[C@H]1CCC[NH2+]C1 ZINC000440732754 563748720 /nfs/dbraw/zinc/74/87/20/563748720.db2.gz IHXQHEOYDDDCKI-ZJUUUORDSA-N 1 0 381.723 2.769 20 0 GFADRO C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)Nc1ccccc1I ZINC000414667225 563749455 /nfs/dbraw/zinc/74/94/55/563749455.db2.gz XVJJEAUCJDUSNM-JOYOIKCWSA-N 1 0 389.237 2.526 20 0 GFADRO COCC[NH2+]CCNC(=O)Nc1ccc(Br)cc1Br ZINC000414693844 563750238 /nfs/dbraw/zinc/75/02/38/563750238.db2.gz NEJWCJXVHFIJML-UHFFFAOYSA-N 1 0 395.095 2.569 20 0 GFADRO Cc1cc(I)ccc1NC(=O)N[C@H](CC[NH3+])C(F)F ZINC000414680331 563750374 /nfs/dbraw/zinc/75/03/74/563750374.db2.gz MUCUNVPHPOBHBU-SNVBAGLBSA-N 1 0 383.180 2.704 20 0 GFADRO C[NH+]1CCN(c2ccc(Br)cc2NC(=O)Cc2cncs2)CC1 ZINC000414725059 563751165 /nfs/dbraw/zinc/75/11/65/563751165.db2.gz HFQCSEBACWGYKH-UHFFFAOYSA-N 1 0 395.326 2.839 20 0 GFADRO [NH3+][C@@H]1CCC[C@H]2CN(S(=O)(=O)c3cc(Cl)ccc3Br)C[C@H]21 ZINC000440841182 563751817 /nfs/dbraw/zinc/75/18/17/563751817.db2.gz HHNYVNUDAAAXPJ-UFGOTCBOSA-N 1 0 393.734 2.850 20 0 GFADRO Cc1cc(Br)c(S(=O)(=O)N2CCC3(C2)CC[NH2+]CC3)s1 ZINC000440841092 563751916 /nfs/dbraw/zinc/75/19/16/563751916.db2.gz CTHDBEQXECRMPF-UHFFFAOYSA-N 1 0 379.345 2.583 20 0 GFADRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)Cc1cn(-c2ccccc2Br)nn1 ZINC000291653222 563752274 /nfs/dbraw/zinc/75/22/74/563752274.db2.gz USWHVMVBIWIBEA-CZUORRHYSA-N 1 0 378.318 2.802 20 0 GFADRO C[N@@H+]1CCCC[C@H]1CCN1CCCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000364431777 563752671 /nfs/dbraw/zinc/75/26/71/563752671.db2.gz FVGZKQQZBAAFJE-ZDUSSCGKSA-N 1 0 377.480 2.943 20 0 GFADRO [NH3+]C[C@H]1CC[C@@H](NC(=O)Nc2cc(Br)ccc2N2CCOCC2)C1 ZINC000414933647 563754190 /nfs/dbraw/zinc/75/41/90/563754190.db2.gz UNCXKFJVOYTIFS-GXTWGEPZSA-N 1 0 397.317 2.535 20 0 GFADRO COC[C@]1(CNCc2nc(-c3cccc(Br)c3)c[nH]2)CCC[NH2+]1 ZINC000414941758 563755259 /nfs/dbraw/zinc/75/52/59/563755259.db2.gz JGXOVRMOACWHSM-QGZVFWFLSA-N 1 0 379.302 2.697 20 0 GFADRO CN1CC[NH2+]C[C@@H]1CNCc1cnc(-c2ccc(Br)cc2)s1 ZINC000414969727 563755369 /nfs/dbraw/zinc/75/53/69/563755369.db2.gz TXBRLJIOEOEFNR-CQSZACIVSA-N 1 0 381.343 2.566 20 0 GFADRO C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+]1CC[C@@H](n2cccn2)C1 ZINC000291724377 563755829 /nfs/dbraw/zinc/75/58/29/563755829.db2.gz JFSSNTUSFQREJV-RHSMWYFYSA-N 1 0 391.313 2.940 20 0 GFADRO FC1(F)CC[NH2+]C[C@H]1NCc1ncc(Br)cc1Br ZINC000414991063 563756181 /nfs/dbraw/zinc/75/61/81/563756181.db2.gz AAXCGPHIWNBKMI-SNVBAGLBSA-N 1 0 385.050 2.693 20 0 GFADRO CCOc1cc(C[NH2+]C[C@H]2CNCCO2)cc(Br)c1OC(F)F ZINC000415097945 563759002 /nfs/dbraw/zinc/75/90/02/563759002.db2.gz UNZGEKHBTOITAR-LLVKDONJSA-N 1 0 395.244 2.527 20 0 GFADRO [NH3+][C@H]1CCCN(C(=O)Nc2cc(F)c(I)c(F)c2)C1 ZINC000415122159 563759567 /nfs/dbraw/zinc/75/95/67/563759567.db2.gz NNXGNSNRPAZQFN-ZETCQYMHSA-N 1 0 381.164 2.524 20 0 GFADRO CN(C(=O)c1cc(S(C)(=O)=O)c(Cl)cc1Cl)[C@@H]1CCC[NH2+]CC1 ZINC000364647159 563759890 /nfs/dbraw/zinc/75/98/90/563759890.db2.gz OYGDTTCYZXXUCE-SNVBAGLBSA-N 1 0 379.309 2.611 20 0 GFADRO [NH3+]Cc1cn([C@@H]2CCCN(Cc3ccc(Br)c(Cl)c3)C2)nn1 ZINC000415125412 563760389 /nfs/dbraw/zinc/76/03/89/563760389.db2.gz LECFNUXFXHIMGB-CYBMUJFWSA-N 1 0 384.709 2.990 20 0 GFADRO O=C(Nc1cc(Cl)ccc1N1CCSCC1)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000415125685 563760517 /nfs/dbraw/zinc/76/05/17/563760517.db2.gz SPHKGZCXMLBKLF-KGLIPLIRSA-N 1 0 380.945 2.966 20 0 GFADRO O=C1N[C@H]2CN(Cc3csc(Cl)c3Cl)CC[C@@H]2N1C1CC[NH2+]CC1 ZINC000415141508 563761270 /nfs/dbraw/zinc/76/12/70/563761270.db2.gz PNFISXRQSLCUNJ-STQMWFEESA-N 1 0 389.352 2.775 20 0 GFADRO C[NH2+]C[C@@H]1CCN(C(=O)Nc2cc(Br)ccc2-n2cccn2)C1 ZINC000415151717 563761318 /nfs/dbraw/zinc/76/13/18/563761318.db2.gz AXCHEIJJTJPHSX-LBPRGKRZSA-N 1 0 378.274 2.708 20 0 GFADRO C[NH2+]C[C@H]1CCN(C(=O)Nc2ccc(F)cc2I)C1 ZINC000415249510 563763545 /nfs/dbraw/zinc/76/35/45/563763545.db2.gz JMJCFWBFKOHUET-SECBINFHSA-N 1 0 377.201 2.504 20 0 GFADRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)Nc1cc(Br)ccc1-n1cccn1 ZINC000415172791 563761968 /nfs/dbraw/zinc/76/19/68/563761968.db2.gz ZUEPYOONCIKCAQ-RISCZKNCSA-N 1 0 378.274 2.754 20 0 GFADRO C[C@@H]1CN(C(=O)Nc2cc(Br)ccc2-n2cccn2)CC[C@H]1[NH3+] ZINC000415169028 563762011 /nfs/dbraw/zinc/76/20/11/563762011.db2.gz VRXLDMKVWNUDPL-DGCLKSJQSA-N 1 0 378.274 2.836 20 0 GFADRO Cc1ccc(SCC(F)(F)F)c(NC(=O)NC[C@@H]2C[NH2+]CCN2C)c1 ZINC000415195409 563762618 /nfs/dbraw/zinc/76/26/18/563762618.db2.gz OGEYYCWAPBPLQY-LBPRGKRZSA-N 1 0 376.448 2.675 20 0 GFADRO C[C@H]1CN(C(=O)Nc2cc(F)c(F)cc2I)[C@@H](C)C[NH2+]1 ZINC000415225089 563762900 /nfs/dbraw/zinc/76/29/00/563762900.db2.gz BLTKVUKTMXEGEX-YUMQZZPRSA-N 1 0 395.191 2.784 20 0 GFADRO C[C@@H](CCC[NH3+])NC(=O)Nc1cc(F)c(F)cc1I ZINC000415237358 563763174 /nfs/dbraw/zinc/76/31/74/563763174.db2.gz IERDJYVDHXGFLY-ZETCQYMHSA-N 1 0 383.180 2.818 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)Nc2ccc(Br)c(F)c2)CC12CCOCC2 ZINC000415234722 563763213 /nfs/dbraw/zinc/76/32/13/563763213.db2.gz VIDJDAVPHIIFLS-LLVKDONJSA-N 1 0 386.265 2.807 20 0 GFADRO [NH3+][C@H]1CCCN(C(=O)Nc2cc(I)ccc2Cl)C1 ZINC000415268197 563764622 /nfs/dbraw/zinc/76/46/22/563764622.db2.gz NLJAZVHGCLQZFY-VIFPVBQESA-N 1 0 379.629 2.900 20 0 GFADRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1N(C)C(=O)CSc1nncs1 ZINC000364814334 563765026 /nfs/dbraw/zinc/76/50/26/563765026.db2.gz PDBGBVQVJUGBNI-HOCLYGCPSA-N 1 0 376.551 2.999 20 0 GFADRO [NH3+]C1(CNC(=O)C(=O)Nc2cccc(Br)c2Cl)CCCCC1 ZINC000415282165 563765547 /nfs/dbraw/zinc/76/55/47/563765547.db2.gz PDKJNTJDDBEMFZ-UHFFFAOYSA-N 1 0 388.693 2.819 20 0 GFADRO O=C(Nc1ccc(Br)c(Cl)c1Cl)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000415319871 563766756 /nfs/dbraw/zinc/76/67/56/563766756.db2.gz UPVQIZGNTYUYSI-SSDOTTSWSA-N 1 0 395.084 2.563 20 0 GFADRO COC(=O)c1cc(Br)ccc1NC(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000415323422 563766758 /nfs/dbraw/zinc/76/67/58/563766758.db2.gz CNNYNJCSEMGPMO-ZYHUDNBSSA-N 1 0 384.274 2.875 20 0 GFADRO O=C([C@@H]1CCC[NH2+]C1)N1CCC[C@@H]1c1ccccc1I ZINC000364884729 563766803 /nfs/dbraw/zinc/76/68/03/563766803.db2.gz DRZJOCFDUVPQJY-IUODEOHRSA-N 1 0 384.261 2.954 20 0 GFADRO CC(=O)Nc1nc(CN[C@@H]2CC[N@@H+](Cc3cnc(C)s3)C[C@@H]2C)cs1 ZINC000364900814 563767830 /nfs/dbraw/zinc/76/78/30/563767830.db2.gz ZOWVFKVIKNJVTM-MEDUHNTESA-N 1 0 379.555 2.867 20 0 GFADRO CCOC(=O)c1c(NC(=O)NCC[C@@H]2CC[NH2+]C2)sc2c1CCSC2 ZINC000415341637 563768000 /nfs/dbraw/zinc/76/80/00/563768000.db2.gz PFKFNLFNPAQNJW-NSHDSACASA-N 1 0 383.539 2.835 20 0 GFADRO C[C@@H](NC(=O)C(=O)Nc1cc(Cl)ccc1C(F)(F)F)[C@@H]1CCC[NH2+]C1 ZINC000415343750 563768054 /nfs/dbraw/zinc/76/80/54/563768054.db2.gz CDQFKAGPGYARFP-NXEZZACHSA-N 1 0 377.794 2.802 20 0 GFADRO COC(=O)c1c(NC(=O)N[C@@H](CC[NH3+])C(F)F)sc2c1CCCCC2 ZINC000415343058 563768149 /nfs/dbraw/zinc/76/81/49/563768149.db2.gz SBQYUQMZNGTECN-JTQLQIEISA-N 1 0 375.441 2.908 20 0 GFADRO CCOC(=O)c1c(NC(=O)N2CC[C@@H](C[NH2+]C)C2)sc2c1CCSC2 ZINC000415341870 563768292 /nfs/dbraw/zinc/76/82/92/563768292.db2.gz PPTOCIGHXOKLJG-NSHDSACASA-N 1 0 383.539 2.787 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)CC[N@@H+]1C ZINC000442143489 563768362 /nfs/dbraw/zinc/76/83/62/563768362.db2.gz GYLJYTWJUZQDTO-MWLCHTKSSA-N 1 0 377.794 2.896 20 0 GFADRO C[C@@H](NC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1Cl)[C@H]1CCC[NH2+]C1 ZINC000415348079 563768979 /nfs/dbraw/zinc/76/89/79/563768979.db2.gz KCQRUYHUDPWCGE-ZJUUUORDSA-N 1 0 377.794 2.802 20 0 GFADRO CCOC(=O)c1cc(Br)ccc1NC(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000415357984 563770067 /nfs/dbraw/zinc/77/00/67/563770067.db2.gz WQPKWPANZXOZIP-INIZCTEOSA-N 1 0 384.274 2.828 20 0 GFADRO C[C@@H]1CN(C(=O)Nc2cccc(F)c2I)C[C@@]1(C)C[NH3+] ZINC000415363803 563770558 /nfs/dbraw/zinc/77/05/58/563770558.db2.gz RBSCXEPRLZYANB-YMTOWFKASA-N 1 0 391.228 2.879 20 0 GFADRO O=C(CC[C@@H]1CCC[NH2+]1)Nc1cc(Br)ccc1N1CCOCC1 ZINC000292046592 563771170 /nfs/dbraw/zinc/77/11/70/563771170.db2.gz IRYSVNUFHUEDMV-AWEZNQCLSA-N 1 0 382.302 2.756 20 0 GFADRO C[C@H](O)[C@H]1CC[N@H+](CC(=O)N2CCc3sccc3[C@H]2c2cccs2)C1 ZINC000365023537 563771894 /nfs/dbraw/zinc/77/18/94/563771894.db2.gz ZSCHHYHLLIDDHU-NJSLBKSFSA-N 1 0 376.547 2.986 20 0 GFADRO CCCN(C(=O)C(=O)Nc1c(C)cc(Br)cc1C)[C@H]1CC[NH2+]C1 ZINC000415387381 563771872 /nfs/dbraw/zinc/77/18/72/563771872.db2.gz GXOINTWERHWMNN-AWEZNQCLSA-N 1 0 382.302 2.605 20 0 GFADRO C[NH2+]CC1CCN(C(=O)C(=O)Nc2ccc(C(F)(F)F)cc2Cl)CC1 ZINC000415401665 563772586 /nfs/dbraw/zinc/77/25/86/563772586.db2.gz PSXMMPLMIDZZTN-UHFFFAOYSA-N 1 0 377.794 2.755 20 0 GFADRO O=C(Nc1ccn(-c2ccc(Cl)cc2Cl)n1)N[C@H]1C[NH2+]CCC1(F)F ZINC000415407603 563773005 /nfs/dbraw/zinc/77/30/05/563773005.db2.gz YMTZKYANPCTNGY-LBPRGKRZSA-N 1 0 390.221 3.298 20 0 GFADRO C[NH+]1CCN(CCNC(=O)c2[nH]ccc2-c2c(Cl)cccc2Cl)CC1 ZINC000442422131 563773043 /nfs/dbraw/zinc/77/30/43/563773043.db2.gz GZHZKLKFHPEMIH-UHFFFAOYSA-N 1 0 381.307 2.966 20 0 GFADRO COc1cc(NC(=O)N[C@@H](CC[NH3+])C(F)F)cc(OC)c1Br ZINC000415413338 563773595 /nfs/dbraw/zinc/77/35/95/563773595.db2.gz NWBXUGBFKXAWQM-QMMMGPOBSA-N 1 0 382.205 2.570 20 0 GFADRO O=C(NCC[C@@H]1CCC[NH2+]C1)C(=O)Nc1cc(Cl)ccc1C(F)(F)F ZINC000415408734 563773729 /nfs/dbraw/zinc/77/37/29/563773729.db2.gz HMBVQNOIRQAIKI-JTQLQIEISA-N 1 0 377.794 2.803 20 0 GFADRO COCCOc1ccc(Br)cc1NC(=O)N[C@@](C)(C[NH3+])C(C)C ZINC000415422359 563774158 /nfs/dbraw/zinc/77/41/58/563774158.db2.gz DPOKKGICRMSZNN-INIZCTEOSA-N 1 0 388.306 2.969 20 0 GFADRO C[C@H]([NH2+][C@@H](CO)c1ccc(Br)cc1)C(=O)NCc1cccs1 ZINC000292116872 563774605 /nfs/dbraw/zinc/77/46/05/563774605.db2.gz HQJUSVIMBMIRQM-NHYWBVRUSA-N 1 0 383.311 2.839 20 0 GFADRO CN1CC[NH+](C[C@@H]2CCCN(C(=O)c3cccc(Br)c3)C2)CC1 ZINC000365115526 563774624 /nfs/dbraw/zinc/77/46/24/563774624.db2.gz VHRAUYWILKOULD-HNNXBMFYSA-N 1 0 380.330 2.549 20 0 GFADRO [NH3+][C@@H]1CCC[C@]12CCN(C(=O)C[C@@H]1Sc3ccc(Cl)cc3NC1=O)C2 ZINC000365107182 563774666 /nfs/dbraw/zinc/77/46/66/563774666.db2.gz YAFRZQSLKZWYNB-HDMKZQKVSA-N 1 0 379.913 2.873 20 0 GFADRO C[N@@H+]1CC[C@]2(CCN(C(=O)C[C@H]3Sc4ccc(Cl)cc4NC3=O)C2)C1 ZINC000292132427 563775173 /nfs/dbraw/zinc/77/51/73/563775173.db2.gz HGBIUHJMFRRKAL-QAPCUYQASA-N 1 0 379.913 2.697 20 0 GFADRO [NH3+]CC[C@@H]1CCCN(C(=O)[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C1 ZINC000442621984 563775776 /nfs/dbraw/zinc/77/57/76/563775776.db2.gz VJNBIWUOPWQKPT-JSGCOSHPSA-N 1 0 384.307 2.934 20 0 GFADRO CC1(CNC(=O)Nc2ccc(S(C)(=O)=O)c(C(F)F)c2)CC[NH2+]CC1 ZINC000415434961 563775792 /nfs/dbraw/zinc/77/57/92/563775792.db2.gz NGFJFUKTBNHZRF-UHFFFAOYSA-N 1 0 375.441 2.539 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(Cl)cc2Br)C1 ZINC000415447411 563776239 /nfs/dbraw/zinc/77/62/39/563776239.db2.gz QESDROLHYHGOJS-NXEZZACHSA-N 1 0 388.693 2.627 20 0 GFADRO COC(=O)c1cc(Br)c(F)cc1NC(=O)N[C@H]1CCC[NH2+][C@H]1C ZINC000415472667 563777502 /nfs/dbraw/zinc/77/75/02/563777502.db2.gz YFLIMAHTMQOLDJ-UFBFGSQYSA-N 1 0 388.237 2.637 20 0 GFADRO CCOCCOc1ccc(Br)cc1NC(=O)N[C@H](C[NH3+])C1CC1 ZINC000415471607 563777645 /nfs/dbraw/zinc/77/76/45/563777645.db2.gz ZWKZCWASHLQBBL-CQSZACIVSA-N 1 0 386.290 2.723 20 0 GFADRO CCOCCOc1ccc(Br)cc1NC(=O)N(C)C1CC([NH3+])C1 ZINC000415468318 563777690 /nfs/dbraw/zinc/77/76/90/563777690.db2.gz VVUPMHVESOULLO-UHFFFAOYSA-N 1 0 386.290 2.818 20 0 GFADRO CCC[N@@H+]1CCCN(S(=O)(=O)c2cc(Br)cnc2Cl)CC1 ZINC000365210125 563777935 /nfs/dbraw/zinc/77/79/35/563777935.db2.gz ZJILAGJVUWBKIS-UHFFFAOYSA-N 1 0 396.738 2.604 20 0 GFADRO CC[NH2+]CC1CCN(C(=O)C(=O)Nc2cc(C)ccc2Br)CC1 ZINC000415475236 563778452 /nfs/dbraw/zinc/77/84/52/563778452.db2.gz HTHCLYVIJXAEPH-UHFFFAOYSA-N 1 0 382.302 2.544 20 0 GFADRO Cc1cc(Br)cc(Cl)c1NC(=O)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000415490506 563778799 /nfs/dbraw/zinc/77/87/99/563778799.db2.gz QVIWNQQUZQODKU-UHFFFAOYSA-N 1 0 390.709 2.793 20 0 GFADRO CC1(C)C[NH2+]CC[C@H]1NC(=O)Nc1cc(Br)cnc1-n1cccn1 ZINC000415490148 563779048 /nfs/dbraw/zinc/77/90/48/563779048.db2.gz VMJUUYWVBUMYBK-CYBMUJFWSA-N 1 0 393.289 2.539 20 0 GFADRO COC[C@]1(CNC(=O)Nc2cc(Br)c(C)cc2OC)CCC[NH2+]1 ZINC000415489457 563779069 /nfs/dbraw/zinc/77/90/69/563779069.db2.gz XBGZDCLCQSKDDP-MRXNPFEDSA-N 1 0 386.290 2.656 20 0 GFADRO Cc1cc(Cl)c(NC(=O)C(=O)N2CCC(OCCC[NH3+])CC2)cc1Cl ZINC000415489721 563779091 /nfs/dbraw/zinc/77/90/91/563779091.db2.gz BKAQDSFBJVGAMC-UHFFFAOYSA-N 1 0 388.295 2.597 20 0 GFADRO CCCC[C@H](C[NH3+])NC(=O)C(=O)Nc1cc(F)ccc1SCC(F)F ZINC000415491022 563779127 /nfs/dbraw/zinc/77/91/27/563779127.db2.gz CVEKFBCVILJLSI-LLVKDONJSA-N 1 0 377.432 2.755 20 0 GFADRO CCCN(C(=O)C(=O)Nc1cc(Cl)c(Cl)cc1OC)C1CC[NH2+]CC1 ZINC000415501915 563779444 /nfs/dbraw/zinc/77/94/44/563779444.db2.gz PLTLMGKSEFQOFC-UHFFFAOYSA-N 1 0 388.295 2.931 20 0 GFADRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)Nc1nnc(-c2cccc(Br)c2)s1 ZINC000415501325 563779684 /nfs/dbraw/zinc/77/96/84/563779684.db2.gz OEQDVKLNZPTANJ-SKDRFNHKSA-N 1 0 396.314 3.087 20 0 GFADRO CC[NH+](CC)[C@@H](CNS(=O)(=O)c1c(C)csc1C(=O)OC)CC(C)C ZINC000442767213 563779840 /nfs/dbraw/zinc/77/98/40/563779840.db2.gz YDCHVFQPMLOUSV-CQSZACIVSA-N 1 0 390.571 2.878 20 0 GFADRO Cc1ccc(I)cc1NC(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000415502712 563779845 /nfs/dbraw/zinc/77/98/45/563779845.db2.gz CDZSHUSTKJQVFH-DGCLKSJQSA-N 1 0 385.249 2.815 20 0 GFADRO COC(=O)c1scc(C)c1S(=O)(=O)N(C)CC[N@H+](C)C1CCCCC1 ZINC000442817815 563780199 /nfs/dbraw/zinc/78/01/99/563780199.db2.gz YVXXWSMSWKNCST-UHFFFAOYSA-N 1 0 388.555 2.728 20 0 GFADRO Cc1ccc(Br)c(NC(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)c1 ZINC000415512441 563780800 /nfs/dbraw/zinc/78/08/00/563780800.db2.gz BLJJYDUJRUWKPB-HNNXBMFYSA-N 1 0 394.313 2.687 20 0 GFADRO O=C(c1cc(=O)[nH]c2ccc(Br)cc21)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000365371753 563781025 /nfs/dbraw/zinc/78/10/25/563781025.db2.gz IAMPCGBBSIVMAD-BONVTDFDSA-N 1 0 376.254 2.527 20 0 GFADRO C[C@H](c1ccccc1)[C@@H]([NH2+]C[C@@H](O)c1ccc(Br)cc1)C(N)=O ZINC000292282804 563781197 /nfs/dbraw/zinc/78/11/97/563781197.db2.gz SXJQWHKRQVERNS-CSMYWGQOSA-N 1 0 377.282 2.730 20 0 GFADRO CCC[NH2+]CCNC(=O)C(=O)Nc1ccc(Br)c2ccccc12 ZINC000415523777 563781838 /nfs/dbraw/zinc/78/18/38/563781838.db2.gz ZANWCLBSMHLNKP-UHFFFAOYSA-N 1 0 378.270 2.657 20 0 GFADRO C[NH2+]C[C@@H]1CCN(C(=O)Nc2ccnn2Cc2ccccc2Br)C1 ZINC000415524580 563782120 /nfs/dbraw/zinc/78/21/20/563782120.db2.gz UFWYOJLIVXGZHF-ZDUSSCGKSA-N 1 0 392.301 2.767 20 0 GFADRO CC1(C)C[C@H]([NH2+]CCNS(=O)(=O)c2ccc(Cl)cc2F)C(C)(C)O1 ZINC000442863553 563782330 /nfs/dbraw/zinc/78/23/30/563782330.db2.gz RRGCIHCJZKRQOF-AWEZNQCLSA-N 1 0 378.897 2.693 20 0 GFADRO COc1ccc(Br)cc1C[N@H+](C)C[C@@H](O)COCC(F)(F)F ZINC000292300915 563782311 /nfs/dbraw/zinc/78/23/11/563782311.db2.gz ALBQAXYIFFLVMT-GFCCVEGCSA-N 1 0 386.208 2.829 20 0 GFADRO [NH3+]C[C@@H]1CCN(C(=O)Nc2ccnn2Cc2cccc(Br)c2)C1 ZINC000415526694 563782518 /nfs/dbraw/zinc/78/25/18/563782518.db2.gz JMJGOCSYZRTSCP-ZDUSSCGKSA-N 1 0 378.274 2.506 20 0 GFADRO C[NH2+]C[C@@H]1CCCN1C(=O)Nc1ccnn1Cc1ccc(Br)cc1 ZINC000415534551 563783313 /nfs/dbraw/zinc/78/33/13/563783313.db2.gz VITVFPAJHHEWLO-HNNXBMFYSA-N 1 0 392.301 2.910 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)NC[C@H](C)C[NH+](C)C ZINC000292349484 563783412 /nfs/dbraw/zinc/78/34/12/563783412.db2.gz KWWSNSYONCBRGK-LSDHHAIUSA-N 1 0 386.583 2.665 20 0 GFADRO CC(=O)N1CCC([N@H+](CCCOCC(F)(F)F)Cc2cncs2)CC1 ZINC000292364062 563784137 /nfs/dbraw/zinc/78/41/37/563784137.db2.gz IKJZEYJSUFROGN-UHFFFAOYSA-N 1 0 379.448 2.925 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)NC[C@]2(C)CCC[NH2+]C2)cc1Br ZINC000415566948 563784466 /nfs/dbraw/zinc/78/44/66/563784466.db2.gz GKYUAIKSXKAHCX-QGZVFWFLSA-N 1 0 382.302 2.510 20 0 GFADRO C[C@@H]1CN(C(=O)C(=O)Nc2cccnc2-c2ccc(Cl)s2)[C@H](C)C[NH2+]1 ZINC000415550514 563784549 /nfs/dbraw/zinc/78/45/49/563784549.db2.gz COIXEQZGKYDTHW-GHMZBOCLSA-N 1 0 378.885 2.611 20 0 GFADRO C[C@]1(CNC(=O)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)CCC[NH2+]C1 ZINC000415575615 563784987 /nfs/dbraw/zinc/78/49/87/563784987.db2.gz FJUKLASXRDLQCJ-HNNXBMFYSA-N 1 0 377.794 2.803 20 0 GFADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccc(Br)c(Cl)c1F ZINC000365524557 563786032 /nfs/dbraw/zinc/78/60/32/563786032.db2.gz UHYGOWKCXCSBRL-VHSXEESVSA-N 1 0 391.668 2.835 20 0 GFADRO Cc1csc(=O)n1CCC(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000365534998 563786252 /nfs/dbraw/zinc/78/62/52/563786252.db2.gz HFQICBGSUKMKTF-WMLDXEAASA-N 1 0 379.551 2.869 20 0 GFADRO COC(=O)c1c(Br)ccc(NC(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)c1C ZINC000415594845 563786456 /nfs/dbraw/zinc/78/64/56/563786456.db2.gz GREGBPPMROKQQC-RYUDHWBXSA-N 1 0 396.285 2.617 20 0 GFADRO COc1ccc(NC(=O)N[C@H]2CC[NH2+][C@H](C)C2)c(I)c1 ZINC000415603065 563786876 /nfs/dbraw/zinc/78/68/76/563786876.db2.gz ZKDCUIDWVYLCBG-ZJUUUORDSA-N 1 0 389.237 2.562 20 0 GFADRO COC(=O)c1c(C)c(NC(=O)N2CCCC[C@@H]2C[NH3+])ccc1Br ZINC000415602651 563786936 /nfs/dbraw/zinc/78/69/36/563786936.db2.gz SFGYDLQIJWWKTO-LLVKDONJSA-N 1 0 384.274 2.889 20 0 GFADRO COc1ccc(NC(=O)N(C)[C@H](C[NH3+])C2CC2)c(I)c1 ZINC000415600925 563787003 /nfs/dbraw/zinc/78/70/03/563787003.db2.gz UVVQHOCWTRLRTB-CYBMUJFWSA-N 1 0 389.237 2.501 20 0 GFADRO COC(=O)c1c(Br)ccc(NC(=O)NCC[C@H]2CCC[NH2+]2)c1C ZINC000415602068 563787075 /nfs/dbraw/zinc/78/70/75/563787075.db2.gz QUGOCIMACIFQFK-LLVKDONJSA-N 1 0 384.274 2.808 20 0 GFADRO COC(=O)c1cc(NC(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)cc(Br)c1F ZINC000415613121 563788163 /nfs/dbraw/zinc/78/81/63/563788163.db2.gz MLECKHOCRZWNMN-RKDXNWHRSA-N 1 0 388.237 2.766 20 0 GFADRO COC(=O)c1cccc(NC(=O)NC[C@]2(C)CCC[NH2+]C2)c1Br ZINC000415615335 563788185 /nfs/dbraw/zinc/78/81/85/563788185.db2.gz QUXJBTDBAVWLHF-MRXNPFEDSA-N 1 0 384.274 2.747 20 0 GFADRO COC(=O)c1cccc(NC(=O)N2CC[C@@H](C)[C@@H](C[NH3+])C2)c1Br ZINC000415617772 563788258 /nfs/dbraw/zinc/78/82/58/563788258.db2.gz VYGAHFQHFUKKFQ-MNOVXSKESA-N 1 0 384.274 2.684 20 0 GFADRO COC(=O)c1cc(NC(=O)N[C@H]2CCC[C@H]([NH3+])C2)cc(Br)c1F ZINC000415613120 563788329 /nfs/dbraw/zinc/78/83/29/563788329.db2.gz MLECKHOCRZWNMN-IUCAKERBSA-N 1 0 388.237 2.766 20 0 GFADRO O=C1[C@H]([NH2+]Cc2cnn(CC(F)F)c2)CCN1c1cccc(Br)c1 ZINC000292500436 563789241 /nfs/dbraw/zinc/78/92/41/563789241.db2.gz CICRRXTTYUEUBR-CQSZACIVSA-N 1 0 399.239 2.806 20 0 GFADRO COC(=O)c1cc(F)c(Br)cc1NC(=O)N[C@@H]1CC[NH2+]C1(C)C ZINC000415632239 563789497 /nfs/dbraw/zinc/78/94/97/563789497.db2.gz SVFAZHSJFKRFNZ-GFCCVEGCSA-N 1 0 388.237 2.637 20 0 GFADRO C[N@@H+]1CC[C@]2(CCN(C(=O)c3cc(F)ccc3I)C2)C1 ZINC000292556027 563789707 /nfs/dbraw/zinc/78/97/07/563789707.db2.gz NGILGSINILGIBL-HNNXBMFYSA-N 1 0 388.224 2.598 20 0 GFADRO [NH3+]CCCCNC(=O)Nc1cc(Br)cc(C(=O)N2CCCC2)c1 ZINC000415643792 563789810 /nfs/dbraw/zinc/78/98/10/563789810.db2.gz YGDKYRPLIIMSEL-UHFFFAOYSA-N 1 0 383.290 2.546 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H](NC(=O)C(=O)Nc2cc(Cl)ccc2OC(F)(F)F)C1 ZINC000415640953 563790170 /nfs/dbraw/zinc/79/01/70/563790170.db2.gz FMPBDQHTVRKKQA-NXEZZACHSA-N 1 0 379.766 2.563 20 0 GFADRO COC(=O)c1ccc(Cl)cc1S(=O)(=O)NCC[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000443066899 563790350 /nfs/dbraw/zinc/79/03/50/563790350.db2.gz IQHRRSBNWSNROZ-STQMWFEESA-N 1 0 388.917 2.668 20 0 GFADRO O=C(Cc1cc[nH]c(=O)c1Br)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000365674699 563790567 /nfs/dbraw/zinc/79/05/67/563790567.db2.gz IXZKMFDQLXSWSL-ZFWWWQNUSA-N 1 0 394.313 2.568 20 0 GFADRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C(=O)Nc1ccc(Br)c2ccccc12 ZINC000415679476 563791483 /nfs/dbraw/zinc/79/14/83/563791483.db2.gz OYRWYCLSEPQHLM-NHYWBVRUSA-N 1 0 390.281 2.798 20 0 GFADRO COC(=O)c1cc(NC(=O)N2CC[C@@H](C)[C@H](C[NH3+])C2)c(C)cc1Br ZINC000415703317 563791894 /nfs/dbraw/zinc/79/18/94/563791894.db2.gz FNNXWYFRWDAKLO-ZYHUDNBSSA-N 1 0 398.301 2.993 20 0 GFADRO COC(=O)c1cc(NC(=O)N2C[C@H](C[NH3+])C[C@@H]2C)c(C)cc1Br ZINC000415709052 563792848 /nfs/dbraw/zinc/79/28/48/563792848.db2.gz OUASMZAXMRBGPS-QWRGUYRKSA-N 1 0 384.274 2.745 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000415729739 563793305 /nfs/dbraw/zinc/79/33/05/563793305.db2.gz SWZVYAPYDROVSX-SFHVURJKSA-N 1 0 394.313 2.552 20 0 GFADRO Cc1cc(Cl)ccc1Cc1cnc(NC(=O)N2CCO[C@H](C[NH3+])C2)s1 ZINC000415733448 563793956 /nfs/dbraw/zinc/79/39/56/563793956.db2.gz WXMTUJFCIBLGFI-CQSZACIVSA-N 1 0 380.901 2.887 20 0 GFADRO CC(C)Sc1ccc(Cl)cc1NC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000415749488 563794043 /nfs/dbraw/zinc/79/40/43/563794043.db2.gz QYZJSHHLBNNCAR-CHWSQXEVSA-N 1 0 381.929 2.847 20 0 GFADRO CC(C)(CCC[NH3+])NC(=O)C(=O)Nc1cccc(Cl)c1OCC(F)F ZINC000415757568 563794627 /nfs/dbraw/zinc/79/46/27/563794627.db2.gz JEWOXGPYMQMIRY-UHFFFAOYSA-N 1 0 377.819 2.556 20 0 GFADRO [NH3+]C[C@H](NC(=O)Nc1cc(Cl)ccc1I)C1CC1 ZINC000415756107 563794682 /nfs/dbraw/zinc/79/46/82/563794682.db2.gz KXXFJONVOUHHMX-NSHDSACASA-N 1 0 379.629 2.803 20 0 GFADRO O=C(NCCC[C@H]1CCC[NH2+]1)Nc1ccn(-c2ccc(Br)cc2)n1 ZINC000415757567 563794784 /nfs/dbraw/zinc/79/47/84/563794784.db2.gz NIVRKNLTYRSZMZ-CQSZACIVSA-N 1 0 392.301 3.289 20 0 GFADRO CC(C)C[C@H](C[NH3+])NC(=O)Nc1ccn(-c2ccc(Br)cc2)n1 ZINC000415759531 563795292 /nfs/dbraw/zinc/79/52/92/563795292.db2.gz QTPHKEHWNUZQME-CYBMUJFWSA-N 1 0 380.290 3.130 20 0 GFADRO CC(C)Sc1c(Cl)cccc1NC(=O)C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000415773059 563795675 /nfs/dbraw/zinc/79/56/75/563795675.db2.gz VDHAVLWMIZGUOR-GXTWGEPZSA-N 1 0 381.929 2.989 20 0 GFADRO COc1cc(I)ccc1NC(=O)NC1(C)CC[NH2+]CC1 ZINC000415773953 563796440 /nfs/dbraw/zinc/79/64/40/563796440.db2.gz OLAUIRDNADGBLZ-UHFFFAOYSA-N 1 0 389.237 2.563 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000415810643 563797442 /nfs/dbraw/zinc/79/74/42/563797442.db2.gz XRVDAZQLJWFDFN-AWEZNQCLSA-N 1 0 382.302 2.653 20 0 GFADRO Cc1ccc(-c2csc(NC(=O)C(=O)NCCC[C@H]3CCC[NH2+]3)n2)s1 ZINC000415811236 563797576 /nfs/dbraw/zinc/79/75/76/563797576.db2.gz YHGDZZGQCPUXHY-GFCCVEGCSA-N 1 0 378.523 2.767 20 0 GFADRO [NH3+][C@H]1CCC[C@H](CNC(=O)C(=O)Nc2ccc(Cl)cc2OC(F)F)C1 ZINC000415808527 563797659 /nfs/dbraw/zinc/79/76/59/563797659.db2.gz MFYNXNZAOKFROT-ONGXEEELSA-N 1 0 375.803 2.514 20 0 GFADRO Cc1nccnc1CC[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000292971246 563797994 /nfs/dbraw/zinc/79/79/94/563797994.db2.gz KIJLAJLZFPKNNX-UHFFFAOYSA-N 1 0 391.313 2.716 20 0 GFADRO [NH3+]C[C@@H](NC(=O)C(=O)Nc1cc(Cl)cc(Br)c1)C1CCCC1 ZINC000415824517 563798163 /nfs/dbraw/zinc/79/81/63/563798163.db2.gz VTZZJCLQCSXFGB-CYBMUJFWSA-N 1 0 388.693 2.675 20 0 GFADRO [NH3+][C@@H]1CCC[C@H](CNC(=O)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000415816770 563798421 /nfs/dbraw/zinc/79/84/21/563798421.db2.gz ULRHCJVBCZVHKZ-VHSXEESVSA-N 1 0 377.794 2.931 20 0 GFADRO [NH3+]C[C@@H]1CC[C@H](NC(=O)C(=O)Nc2ccc(Br)c3ccccc23)C1 ZINC000415843055 563798759 /nfs/dbraw/zinc/79/87/59/563798759.db2.gz RZIRFVDQLGTGLL-NEPJUHHUSA-N 1 0 390.281 2.784 20 0 GFADRO [NH3+]C[C@@H](NC(=O)C(=O)Nc1cc2c(cc1Br)CCC2)C1CCCC1 ZINC000415828265 563798809 /nfs/dbraw/zinc/79/88/09/563798809.db2.gz BELQXSYLMZWVCK-MRXNPFEDSA-N 1 0 394.313 2.510 20 0 GFADRO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(Br)c(Cl)c2Cl)C[C@H]1[NH3+] ZINC000415838035 563798853 /nfs/dbraw/zinc/79/88/53/563798853.db2.gz LDHHIMLSWSGEBM-HTRCEHHLSA-N 1 0 395.084 2.500 20 0 GFADRO O[C@@H](COc1ccc(Cl)cc1Cl)CN1CC[NH+]([C@H]2CCSC2)CC1 ZINC000366096849 563799182 /nfs/dbraw/zinc/79/91/82/563799182.db2.gz NYNKPWVRPSIEJH-LSDHHAIUSA-N 1 0 391.364 2.856 20 0 GFADRO Cc1cc(NC(=O)C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc(C)c1Br ZINC000415863861 563799845 /nfs/dbraw/zinc/79/98/45/563799845.db2.gz BMWXYDRGBXINSH-HZSPNIEDSA-N 1 0 394.313 2.509 20 0 GFADRO [NH3+]C[C@H](NC(=O)C(=O)Nc1ccc(C(F)(F)F)cc1Cl)C1CCCC1 ZINC000415847245 563799860 /nfs/dbraw/zinc/79/98/60/563799860.db2.gz UIHSSTHAWSNAQK-ZDUSSCGKSA-N 1 0 377.794 2.931 20 0 GFADRO COC(=O)C[C@H](NC(=O)N[C@H](CC[NH3+])C(F)(F)F)c1ccc(Cl)cc1 ZINC000416002144 563801703 /nfs/dbraw/zinc/80/17/03/563801703.db2.gz DEMNEGPJUZSFHW-NWDGAFQWSA-N 1 0 381.782 2.523 20 0 GFADRO CN1CC[C@H](NC(=O)N[C@@H](CC[NH3+])C(F)(F)F)[C@@H]1c1ccc(Cl)cc1 ZINC000416028494 563803209 /nfs/dbraw/zinc/80/32/09/563803209.db2.gz JZPGPOOADFFOAB-IHRRRGAJSA-N 1 0 378.826 2.664 20 0 GFADRO [NH3+]CC[C@H](NC(=O)N1CCc2c(F)ccc(Br)c2C1)C(F)(F)F ZINC000416047512 563803867 /nfs/dbraw/zinc/80/38/67/563803867.db2.gz PDVQTZLKLIMEHK-LBPRGKRZSA-N 1 0 398.198 2.936 20 0 GFADRO [NH3+]CC[C@H](NC(=O)N[C@H](CCO)c1ccc(Cl)c(Cl)c1)C(F)(F)F ZINC000416051951 563804663 /nfs/dbraw/zinc/80/46/63/563804663.db2.gz UAUKHDXHXIDRKL-NEPJUHHUSA-N 1 0 388.217 2.996 20 0 GFADRO COCCn1nnc2c1CC[N@H+](CCCc1ccccc1Br)C2 ZINC000293294281 563807402 /nfs/dbraw/zinc/80/74/02/563807402.db2.gz PADCKVRETTYZTM-UHFFFAOYSA-N 1 0 379.302 2.678 20 0 GFADRO Cc1cc(C[NH2+][C@@H](C)Cn2cc(Br)cn2)nc(N2CCCC2)n1 ZINC000293355079 563809117 /nfs/dbraw/zinc/80/91/17/563809117.db2.gz HDXOFJMJTGSUSK-ZDUSSCGKSA-N 1 0 379.306 2.523 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)N[C@H](C)CCCC[NH3+] ZINC000293411616 563811532 /nfs/dbraw/zinc/81/15/32/563811532.db2.gz NEONMSPCQSDNJR-HUUCEWRRSA-N 1 0 386.583 2.985 20 0 GFADRO C[NH+]1CCN(CCCNC(=O)c2ccc(Br)c(Cl)c2F)CC1 ZINC000443919693 563814511 /nfs/dbraw/zinc/81/45/11/563814511.db2.gz VJALGYFNWZHGQS-UHFFFAOYSA-N 1 0 392.700 2.609 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C(=O)NCC1([NH+](C)C)CC1 ZINC000416305064 563815208 /nfs/dbraw/zinc/81/52/08/563815208.db2.gz AFZCQZHSYHWPRL-UHFFFAOYSA-N 1 0 377.286 2.767 20 0 GFADRO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)Cc1cc(Cl)ccc1Br ZINC000416316470 563816128 /nfs/dbraw/zinc/81/61/28/563816128.db2.gz VZSIFXNNBJBBGP-NWDGAFQWSA-N 1 0 389.721 2.559 20 0 GFADRO CCC[N@H+](CC)CCNC(=O)C(=O)Nc1ccc(Br)c(C2CC2)n1 ZINC000293512936 563816467 /nfs/dbraw/zinc/81/64/67/563816467.db2.gz VNZGUGOJEBKUSD-UHFFFAOYSA-N 1 0 397.317 2.508 20 0 GFADRO COc1ccc(CNc2ccn(C3CC[NH+](C)CC3)n2)cc1Br ZINC000366746746 563818639 /nfs/dbraw/zinc/81/86/39/563818639.db2.gz RJPSPPJBYRSNMO-UHFFFAOYSA-N 1 0 379.302 3.533 20 0 GFADRO COC(=O)c1c(Cl)cccc1S(=O)(=O)NCCC[N@@H+]1CCCC[C@H]1C ZINC000416373476 563818982 /nfs/dbraw/zinc/81/89/82/563818982.db2.gz PIWZPZVKTPHBOD-CYBMUJFWSA-N 1 0 388.917 2.669 20 0 GFADRO C[C@@H](O)C[N@@H+]1CCN(C(=O)N[C@@H](C)c2ccc(Br)s2)C[C@H]1C ZINC000444094521 563821452 /nfs/dbraw/zinc/82/14/52/563821452.db2.gz AWFMQJVESSVCFR-UTUOFQBUSA-N 1 0 390.347 2.668 20 0 GFADRO COCCN(CC[NH+](C)C)C(=O)N[C@@H](C)c1ccc(Br)s1 ZINC000444108071 563821922 /nfs/dbraw/zinc/82/19/22/563821922.db2.gz XRYQPRQYVFBQIR-NSHDSACASA-N 1 0 378.336 2.791 20 0 GFADRO O=C(N1CCN([C@@H]2CCSC2)CC1)C1(c2cncc(Br)c2)CC1 ZINC000366966280 563825988 /nfs/dbraw/zinc/82/59/88/563825988.db2.gz MSMYZWCUDQQGKE-OAHLLOKOSA-N 1 0 396.354 2.525 20 0 GFADRO Cc1c(Br)cccc1S(=O)(=O)N1C[C@H]([NH3+])Cc2ccccc21 ZINC000416424077 563827301 /nfs/dbraw/zinc/82/73/01/563827301.db2.gz AHFIVZUQYYQNDF-CYBMUJFWSA-N 1 0 381.295 2.836 20 0 GFADRO O=C(c1c[nH]c2cccc(Br)c12)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000367060215 563829019 /nfs/dbraw/zinc/82/90/19/563829019.db2.gz OTOUBLANVFIEIT-HZPDHXFCSA-N 1 0 392.297 2.602 20 0 GFADRO COCCCn1nccc1C[NH+]1CCC(n2cc(Br)cn2)CC1 ZINC000367112635 563830942 /nfs/dbraw/zinc/83/09/42/563830942.db2.gz FLCJRXCDXQIOKX-UHFFFAOYSA-N 1 0 382.306 2.716 20 0 GFADRO C[N@@H+]1CC[C@@H](CNS(=O)(=O)c2ccc3cc(Br)ccc3c2)C1 ZINC000416499020 563839473 /nfs/dbraw/zinc/83/94/73/563839473.db2.gz ZQVDMBRIQZBTHS-LBPRGKRZSA-N 1 0 383.311 2.832 20 0 GFADRO CS(=O)(=O)N1CC[C@@H](C[N@@H+]2CCC[C@@H](Sc3ccc(F)cc3F)C2)C1 ZINC000367297364 563839887 /nfs/dbraw/zinc/83/98/87/563839887.db2.gz AMRHOEYLVPMMDW-DZGCQCFKSA-N 1 0 390.521 2.803 20 0 GFADRO CS(=O)(=O)N1CC[C@H](C[N@@H+]2CC[C@@H](c3ccc(C(F)(F)F)cc3)C2)C1 ZINC000367305024 563839934 /nfs/dbraw/zinc/83/99/34/563839934.db2.gz JHKCVBMIHRJUIK-UKRRQHHQSA-N 1 0 376.444 2.776 20 0 GFADRO Cc1ccc(S(=O)(=O)NCCCC[N@@H+](C)C2CC2)c(Br)c1 ZINC000416501926 563839978 /nfs/dbraw/zinc/83/99/78/563839978.db2.gz NPLURZZIDJVDAZ-UHFFFAOYSA-N 1 0 375.332 2.910 20 0 GFADRO CS(=O)(=O)N1CC[C@H](C[N@@H+]2CC[C@H](c3ccc(C(F)(F)F)cc3)C2)C1 ZINC000367305023 563840101 /nfs/dbraw/zinc/84/01/01/563840101.db2.gz JHKCVBMIHRJUIK-HIFRSBDPSA-N 1 0 376.444 2.776 20 0 GFADRO CS(=O)(=O)N1CC[C@H](C[N@@H+]2CCC[C@H](Sc3ccc(F)cc3F)C2)C1 ZINC000367297365 563840181 /nfs/dbraw/zinc/84/01/81/563840181.db2.gz AMRHOEYLVPMMDW-HIFRSBDPSA-N 1 0 390.521 2.803 20 0 GFADRO O=S(=O)(NCC1CC[NH+](C2CC2)CC1)c1cc(C(F)(F)F)ccc1F ZINC000445070525 563842239 /nfs/dbraw/zinc/84/22/39/563842239.db2.gz MCVXJZNWLMBWSM-UHFFFAOYSA-N 1 0 380.407 2.997 20 0 GFADRO COC(=O)c1ccc(C[NH+]2CCC3(CCN(C)C3=O)CC2)c(Br)c1 ZINC000367438340 563844866 /nfs/dbraw/zinc/84/48/66/563844866.db2.gz MJDJRNNKXAUJNK-UHFFFAOYSA-N 1 0 395.297 2.680 20 0 GFADRO C[NH+](C)CCOc1cc(CNC(=O)c2cccc(F)c2Br)ccn1 ZINC000294518832 563845422 /nfs/dbraw/zinc/84/54/22/563845422.db2.gz JZAIGFZZQGJNSV-UHFFFAOYSA-N 1 0 396.260 2.854 20 0 GFADRO C[N@H+](CCCNC(=O)Cc1cc[nH]c(=O)c1Br)C1CCCCC1 ZINC000445254749 563847153 /nfs/dbraw/zinc/84/71/53/563847153.db2.gz QUJXMLFTEPSPAH-UHFFFAOYSA-N 1 0 384.318 2.863 20 0 GFADRO C[C@H]1CCC[N@@H+]1C1CCN(C(=O)NCCCn2cc(Br)cn2)CC1 ZINC000367580908 563849013 /nfs/dbraw/zinc/84/90/13/563849013.db2.gz QNDNTLYWGJCOFD-AWEZNQCLSA-N 1 0 398.349 2.694 20 0 GFADRO O=C(NC1CC([NH+]2CCCCC2)C1)c1cn2ccc(Br)cc2n1 ZINC000367595263 563849958 /nfs/dbraw/zinc/84/99/58/563849958.db2.gz AWTVZFMRLHAGSR-UHFFFAOYSA-N 1 0 377.286 2.844 20 0 GFADRO C[NH+](C)C1(CNc2ncnc3ccc(I)cc32)CCC1 ZINC000445604017 563851020 /nfs/dbraw/zinc/85/10/20/563851020.db2.gz ILFWVQQIZCNCPK-UHFFFAOYSA-N 1 0 382.249 3.131 20 0 GFADRO Cc1ccncc1CCC[NH2+]C[C@H]1CCN(S(=O)(=O)c2cccs2)C1 ZINC000367684086 563852274 /nfs/dbraw/zinc/85/22/74/563852274.db2.gz GYAQHZVFLZFTLR-MRXNPFEDSA-N 1 0 379.551 2.685 20 0 GFADRO COc1cc(Br)c(C[NH2+][C@H]2CCN(c3ccn(C)n3)C2)c(OC)c1 ZINC000367695371 563852409 /nfs/dbraw/zinc/85/24/09/563852409.db2.gz FICVUVNEDWXHTH-LBPRGKRZSA-N 1 0 395.301 2.568 20 0 GFADRO C[NH+](C)C1(CNS(=O)(=O)c2cc(Br)ccc2Cl)CCC1 ZINC000445745340 563853603 /nfs/dbraw/zinc/85/36/03/563853603.db2.gz YWRPUUXRJBBMQG-UHFFFAOYSA-N 1 0 381.723 2.865 20 0 GFADRO COCC[N@@H+]1CC[C@@H](NC(=O)CCC(=O)c2cc(Cl)sc2Cl)C1 ZINC000446056282 563857893 /nfs/dbraw/zinc/85/78/93/563857893.db2.gz YBYLLJKKMNOIOO-SNVBAGLBSA-N 1 0 379.309 2.855 20 0 GFADRO COc1ccc(S(=O)(=O)N2CCC([NH2+]C[C@H]3CCCSC3)CC2)cc1 ZINC000367906916 563858904 /nfs/dbraw/zinc/85/89/04/563858904.db2.gz ZZBJQBAKZFRAPO-OAHLLOKOSA-N 1 0 384.567 2.581 20 0 GFADRO COC[C@@H]([NH2+]C1CCN(S(=O)(=O)C2CC2)CC1)c1cccc(Cl)c1F ZINC000367914116 563859440 /nfs/dbraw/zinc/85/94/40/563859440.db2.gz ZVNZSYOZJMRDNN-MRXNPFEDSA-N 1 0 390.908 2.713 20 0 GFADRO O=C(Nc1ccc(Cl)c(Cl)c1)C1CCN(C(=O)[C@H]2C[C@H](F)C[NH2+]2)CC1 ZINC000446267039 563861925 /nfs/dbraw/zinc/86/19/25/563861925.db2.gz ZQBBFTABWVRSAF-XHDPSFHLSA-N 1 0 388.270 2.871 20 0 GFADRO CN1CC[NH+](C[C@H]2CCCN(Cc3cc(O)ccc3Br)C2)CC1 ZINC000368050083 563862722 /nfs/dbraw/zinc/86/27/22/563862722.db2.gz CIJWOBOUIDTITE-OAHLLOKOSA-N 1 0 382.346 2.614 20 0 GFADRO COC(=O)[C@H]1CN(C(=O)Nc2cc(C(F)F)ccc2Cl)CC[N@H+](C)C1 ZINC000416927844 563863639 /nfs/dbraw/zinc/86/36/39/563863639.db2.gz WWTDIUZDSYUSGL-LLVKDONJSA-N 1 0 375.803 2.846 20 0 GFADRO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)Nc1ccc(Cl)c(OC(F)F)c1 ZINC000416978703 563864600 /nfs/dbraw/zinc/86/46/00/563864600.db2.gz CYFUSGZJZHPWRR-QWRGUYRKSA-N 1 0 377.819 2.860 20 0 GFADRO C[NH+](C)C1(CNC(=O)N[C@@H](CCO)c2ccccc2Br)CCC1 ZINC000446617327 563866565 /nfs/dbraw/zinc/86/65/65/563866565.db2.gz LAXDGLYXDQLXEP-HNNXBMFYSA-N 1 0 384.318 2.656 20 0 GFADRO CC1(C)C[N@H+](CCCOc2cccc(I)c2)C[C@H]1O ZINC000447874130 563889396 /nfs/dbraw/zinc/88/93/96/563889396.db2.gz VNRAKWXFZCBJQI-CQSZACIVSA-N 1 0 375.250 2.763 20 0 GFADRO C[NH+](C)Cc1ccsc1C(=O)NC[C@@H](Cc1ccccc1Cl)C(N)=O ZINC000446905749 563869766 /nfs/dbraw/zinc/86/97/66/563869766.db2.gz JDWYSPXPNHELSN-CQSZACIVSA-N 1 0 379.913 2.537 20 0 GFADRO [NH3+][C@H](CNC(=O)NCC1(c2cccc(Br)c2)CCOCC1)C1CC1 ZINC000417176190 563870306 /nfs/dbraw/zinc/87/03/06/563870306.db2.gz KDWYGLKVEJNFIT-MRXNPFEDSA-N 1 0 396.329 2.534 20 0 GFADRO [NH3+]C[C@H]1CCCN1C(=O)NCC1(c2cccc(Br)c2)CCOCC1 ZINC000417180424 563870900 /nfs/dbraw/zinc/87/09/00/563870900.db2.gz OLJWLERIIXAICI-MRXNPFEDSA-N 1 0 396.329 2.630 20 0 GFADRO CC(C)[C@@H]([NH3+])CNC(=O)N[C@H](C)c1cc2c(cc1Br)OCCO2 ZINC000417184308 563871336 /nfs/dbraw/zinc/87/13/36/563871336.db2.gz SGDHHVQDKKWUGR-MFKMUULPSA-N 1 0 386.290 2.564 20 0 GFADRO C[NH2+][C@H]1CCN(C(=O)NCC2(c3cccc(Br)c3)CCOCC2)C1 ZINC000417188736 563871708 /nfs/dbraw/zinc/87/17/08/563871708.db2.gz XTAGAZZYDVFOCM-INIZCTEOSA-N 1 0 396.329 2.501 20 0 GFADRO C[C@@H](NC(=O)N[C@@H]1CC[NH2+][C@H](C)C1)c1cc2c(cc1Br)OCCO2 ZINC000417187323 563871899 /nfs/dbraw/zinc/87/18/99/563871899.db2.gz WMUKHVOJPBSBGY-IJLUTSLNSA-N 1 0 398.301 2.721 20 0 GFADRO [NH2+]=C(NO)[C@H]1CCCCN1Cc1nc(Cc2cccc(Br)c2)no1 ZINC000368527405 563873336 /nfs/dbraw/zinc/87/33/36/563873336.db2.gz RURWMZFZJDJYMA-CYBMUJFWSA-N 1 0 394.273 2.733 20 0 GFADRO CC[N@H+](CC(=O)NCc1cnn(-c2ccc(Br)cc2)c1)C1CC1 ZINC000447059684 563873695 /nfs/dbraw/zinc/87/36/95/563873695.db2.gz MJAVWTMCXAUYJX-UHFFFAOYSA-N 1 0 377.286 2.735 20 0 GFADRO O=C(NCCCO[C@H]1CCOC1)C1CC[NH+](Cc2ccc(Cl)s2)CC1 ZINC000368548898 563873997 /nfs/dbraw/zinc/87/39/97/563873997.db2.gz UDXDTNKHPLFATD-HNNXBMFYSA-N 1 0 386.945 2.925 20 0 GFADRO C[C@@H]1CCN(C(=O)NCCC(=O)Nc2ccc(Br)cc2)[C@H](C[NH3+])C1 ZINC000417225282 563874156 /nfs/dbraw/zinc/87/41/56/563874156.db2.gz NOCVISQYLOWRQZ-DOMZBBRYSA-N 1 0 397.317 2.547 20 0 GFADRO CCN(CC)C(=O)C[C@@H](C)[NH2+][C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000447099863 563874638 /nfs/dbraw/zinc/87/46/38/563874638.db2.gz SNUVVVUDAQMOSF-CZUORRHYSA-N 1 0 396.329 2.791 20 0 GFADRO C[C@H](CCn1cccn1)[NH2+]Cc1ccc(S(C)(=O)=O)c(C(F)(F)F)c1 ZINC000447095091 563874905 /nfs/dbraw/zinc/87/49/05/563874905.db2.gz WJHMXNDRJTVPRN-GFCCVEGCSA-N 1 0 375.416 2.874 20 0 GFADRO CCC[NH2+]CCNC(=O)NC[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000417262655 563875705 /nfs/dbraw/zinc/87/57/05/563875705.db2.gz OAYFNDNZUXBXDS-AWEZNQCLSA-N 1 0 383.334 2.574 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000368722974 563877629 /nfs/dbraw/zinc/87/76/29/563877629.db2.gz UMWDVRNTWKGCIN-CABCVRRESA-N 1 0 384.567 2.609 20 0 GFADRO Cc1cc(S(=O)(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c(C)cc1Br ZINC000447252282 563878370 /nfs/dbraw/zinc/87/83/70/563878370.db2.gz QXHQRASNHQOYFT-YDHLFZDLSA-N 1 0 387.343 2.814 20 0 GFADRO O=C(NCCC[NH2+]Cc1cccnc1)NCc1cccc(Br)c1 ZINC000417352058 563878734 /nfs/dbraw/zinc/87/87/34/563878734.db2.gz FFCAWPGYYXBMEF-UHFFFAOYSA-N 1 0 377.286 2.823 20 0 GFADRO O=C(Nc1ccc(Br)cc1)[C@H]1CCC[N@@H+]1CCCN1CCOCC1 ZINC000368781504 563878907 /nfs/dbraw/zinc/87/89/07/563878907.db2.gz FEWJJDAUMFIKBO-QGZVFWFLSA-N 1 0 396.329 2.574 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)NCc2cc(Br)ccc2OC(F)F)CC[NH2+]1 ZINC000417405091 563879390 /nfs/dbraw/zinc/87/93/90/563879390.db2.gz ICHCGALPYJZVNM-BXKDBHETSA-N 1 0 392.244 2.990 20 0 GFADRO [NH3+][C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)CCC[S@](=O)c1ccc(Br)cc1 ZINC000368808878 563879526 /nfs/dbraw/zinc/87/95/26/563879526.db2.gz CSUJYLXDQRWCNE-OCGLXOCMSA-N 1 0 399.354 2.818 20 0 GFADRO COc1ccc(CNC(=O)N2CCC[C@]3(CC[NH2+]C3)C2)cc1Br ZINC000417433040 563880301 /nfs/dbraw/zinc/88/03/01/563880301.db2.gz UUJGWNIDEMSRHC-QGZVFWFLSA-N 1 0 382.302 2.743 20 0 GFADRO CCCN(C(=O)N[C@H]1CCN(c2ccc(Br)cc2)C1)[C@@H]1CC[NH2+]C1 ZINC000417475846 563880561 /nfs/dbraw/zinc/88/05/61/563880561.db2.gz BSQZZUXGOCHIAD-DOTOQJQBSA-N 1 0 395.345 2.811 20 0 GFADRO CO[C@@H]1CCN(C(=O)N[C@@H]2CCc3c2cccc3Br)[C@H](C[NH3+])C1 ZINC000417455732 563880620 /nfs/dbraw/zinc/88/06/20/563880620.db2.gz YPAQLHKQYIMURI-HWWQOWPSSA-N 1 0 382.302 2.584 20 0 GFADRO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(C(=O)c2cc(Cl)sc2Cl)CC1 ZINC000368891911 563881331 /nfs/dbraw/zinc/88/13/31/563881331.db2.gz KSARJZRIMLIKCX-NSHDSACASA-N 1 0 376.309 2.609 20 0 GFADRO CN1CC[NH+](C[C@H]2CCCN(C(=O)c3cc(F)ccc3Br)C2)CC1 ZINC000368978213 563883498 /nfs/dbraw/zinc/88/34/98/563883498.db2.gz AQIWEYVGZNUXQD-CQSZACIVSA-N 1 0 398.320 2.688 20 0 GFADRO C[C@@H](CNC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)Sc1ccc(Br)cc1 ZINC000417578307 563883901 /nfs/dbraw/zinc/88/39/01/563883901.db2.gz NNBOVKGXIPSXPA-RWMBFGLXSA-N 1 0 384.343 2.791 20 0 GFADRO Brc1ccc(C[C@@H]2CCC[N@@H+]2Cc2nnc3n2CCOC3)cc1 ZINC000369052870 563885718 /nfs/dbraw/zinc/88/57/18/563885718.db2.gz FCXRUFCBRNCSBB-HNNXBMFYSA-N 1 0 377.286 2.778 20 0 GFADRO Cc1nn(C)c(CNC[C@H]2CCC[N@H+](Cc3cccnc3)C2)c1Br ZINC000369094022 563886636 /nfs/dbraw/zinc/88/66/36/563886636.db2.gz YUMUJFBGSULEFZ-MRXNPFEDSA-N 1 0 392.345 2.888 20 0 GFADRO O=C(NCC1(c2ccccc2Br)CC1)N[C@H]1C[NH2+]CCC1(F)F ZINC000417739086 563888092 /nfs/dbraw/zinc/88/80/92/563888092.db2.gz XVULEOBWBQEFBQ-ZDUSSCGKSA-N 1 0 388.256 2.777 20 0 GFADRO O=C(NCC1(c2ccccc2Br)CC1)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000417735058 563888193 /nfs/dbraw/zinc/88/81/93/563888193.db2.gz SPZYGLDRJBCSMX-KBPBESRZSA-N 1 0 378.314 2.732 20 0 GFADRO O=C(NC[C@H]1CCC[N@H+](Cc2cccnc2)C1)c1cncc(Br)c1 ZINC000369160120 563888276 /nfs/dbraw/zinc/88/82/76/563888276.db2.gz GOEZHPQVSIXBOT-OAHLLOKOSA-N 1 0 389.297 2.881 20 0 GFADRO CC[C@H](NC(=O)N1CC[C@@H](OC)C[C@H]1C[NH3+])c1nc(C(F)(F)F)cs1 ZINC000417787986 563889180 /nfs/dbraw/zinc/88/91/80/563889180.db2.gz SOEKOCNDGCJEAE-AXFHLTTASA-N 1 0 380.436 2.761 20 0 GFADRO C[C@@H](CNC(=O)N[C@H]1C[NH2+]CCC1(F)F)Oc1ccc(Br)cc1 ZINC000417775758 563889221 /nfs/dbraw/zinc/88/92/21/563889221.db2.gz OFMRRRJARZKWKE-GWCFXTLKSA-N 1 0 392.244 2.513 20 0 GFADRO O=C(NCCCc1ccc(Cl)cc1Cl)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000417810469 563889754 /nfs/dbraw/zinc/88/97/54/563889754.db2.gz IJXWMIPWOHKZFB-MRXNPFEDSA-N 1 0 385.339 2.615 20 0 GFADRO C[C@H](Cc1ccccc1Br)NC(=O)N1CCC(OCCC[NH3+])CC1 ZINC000417876922 563890293 /nfs/dbraw/zinc/89/02/93/563890293.db2.gz CINUOGNDLFHDGB-CQSZACIVSA-N 1 0 398.345 2.920 20 0 GFADRO CC[C@H](Cc1ccccc1Br)NC(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000417879652 563890533 /nfs/dbraw/zinc/89/05/33/563890533.db2.gz FKETZLLMDLZHLA-CABCVRRESA-N 1 0 384.318 2.529 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+][C@@H](CO)[C@H]1CCCO1 ZINC000447975315 563892234 /nfs/dbraw/zinc/89/22/34/563892234.db2.gz HAGLMQROZBTZTK-DLBZAZTESA-N 1 0 380.286 2.573 20 0 GFADRO CN1CC[C@H](NC(=O)N[C@@H](CC[NH3+])C(F)F)[C@H]1c1ccc(Cl)c(F)c1 ZINC000417940029 563892463 /nfs/dbraw/zinc/89/24/63/563892463.db2.gz KWIAOMSBAPBWBB-MELADBBJSA-N 1 0 378.826 2.506 20 0 GFADRO CO[C@H]1CCN(C(=O)NCCOCc2ccc(Cl)cc2Cl)[C@H](C[NH3+])C1 ZINC000417975721 563893524 /nfs/dbraw/zinc/89/35/24/563893524.db2.gz ANKBYMWKGINMKQ-GJZGRUSLSA-N 1 0 390.311 2.658 20 0 GFADRO CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000417986729 563893844 /nfs/dbraw/zinc/89/38/44/563893844.db2.gz OBMLCVZVPHTPJE-RKLWJJNISA-N 1 0 384.318 2.965 20 0 GFADRO CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)N1CC[NH2+]C(C)(C)C1 ZINC000417991682 563894150 /nfs/dbraw/zinc/89/41/50/563894150.db2.gz SFUQIEOSEIOBRN-WFASDCNBSA-N 1 0 384.318 2.919 20 0 GFADRO CN(CC(C)(C)C[NH3+])C(=O)N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000417995751 563894155 /nfs/dbraw/zinc/89/41/55/563894155.db2.gz GDFUUQMCJJPWNL-CQSZACIVSA-N 1 0 387.311 2.725 20 0 GFADRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)NCCc1c[nH]c2ccc(Br)cc12 ZINC000417994606 563894299 /nfs/dbraw/zinc/89/42/99/563894299.db2.gz CMFCWDKLHCTLLF-XHDPSFHLSA-N 1 0 379.302 2.770 20 0 GFADRO COCC[N@@H+]1CC[C@@H](NC(=O)NCC(C)(C)c2ccccc2Br)C1 ZINC000448216145 563894926 /nfs/dbraw/zinc/89/49/26/563894926.db2.gz ZWMQGJLGXYYDHT-CQSZACIVSA-N 1 0 398.345 2.747 20 0 GFADRO O=C(N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000418011883 563895241 /nfs/dbraw/zinc/89/52/41/563895241.db2.gz VKZSPDOILAZJBI-MGPQQGTHSA-N 1 0 383.323 2.823 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H](CNC(=O)NCc2cc(Br)cc3c2OCC3)C1 ZINC000418010319 563895265 /nfs/dbraw/zinc/89/52/65/563895265.db2.gz JJPLZGZCLJJDGN-IAQYHMDHSA-N 1 0 382.302 2.701 20 0 GFADRO Cc1cc(Br)cn2cc(CNC(=O)N3CC[C@H](C)[C@H](C[NH3+])C3)nc12 ZINC000418015886 563895544 /nfs/dbraw/zinc/89/55/44/563895544.db2.gz FGKVRRYVIWMWMN-WCQYABFASA-N 1 0 394.317 2.532 20 0 GFADRO COc1cc(Br)ccc1CCCNC(=O)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000418013799 563895606 /nfs/dbraw/zinc/89/56/06/563895606.db2.gz ZSFRHLWFFKWODA-DOMZBBRYSA-N 1 0 384.318 2.830 20 0 GFADRO CCCOC[C@@H](Cc1cccc(Br)c1)NC(=O)N[C@H](C[NH3+])C1CC1 ZINC000418026459 563895962 /nfs/dbraw/zinc/89/59/62/563895962.db2.gz HGWGTBJWKYSJLH-IAGOWNOFSA-N 1 0 398.345 2.823 20 0 GFADRO Cc1cc(Br)cc(NC(=O)C(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)c1 ZINC000448318862 563896122 /nfs/dbraw/zinc/89/61/22/563896122.db2.gz CWBLARLOKQRMKZ-OAHLLOKOSA-N 1 0 396.329 2.933 20 0 GFADRO COCC[NH2+]CCNC(=O)N[C@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000418044593 563897086 /nfs/dbraw/zinc/89/70/86/563897086.db2.gz MSHMXPBGQTXWQU-HNNXBMFYSA-N 1 0 388.281 2.575 20 0 GFADRO CCn1c(CNC(=O)N2CC[C@@H]([C@H](C)[NH3+])C2)nc2cc(Br)ccc21 ZINC000418063822 563897291 /nfs/dbraw/zinc/89/72/91/563897291.db2.gz INUWPNQZZBKCSF-NWDGAFQWSA-N 1 0 394.317 2.697 20 0 GFADRO CCn1c(CNC(=O)N[C@@H]2CCC[C@H]([NH3+])C2)nc2cc(Br)ccc21 ZINC000418067848 563897390 /nfs/dbraw/zinc/89/73/90/563897390.db2.gz PLAZBLJCORPYNJ-QWHCGFSZSA-N 1 0 394.317 2.888 20 0 GFADRO CC(C)(CCC[NH3+])NC(=O)N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000418081038 563897817 /nfs/dbraw/zinc/89/78/17/563897817.db2.gz NFHAQFPYJJKHHK-CYBMUJFWSA-N 1 0 387.311 2.915 20 0 GFADRO CCOC(=O)COc1c(Br)cc(C)cc1C[NH2+][C@H]1C[C@@](C)(O)C1 ZINC000418100408 563898914 /nfs/dbraw/zinc/89/89/14/563898914.db2.gz DHXFVMKLJYVYBO-XFHMXUHZSA-N 1 0 386.286 2.702 20 0 GFADRO CCn1nncc1C[NH2+]C1CCN(Cc2cccc(Br)c2)CC1 ZINC000418097789 563899137 /nfs/dbraw/zinc/89/91/37/563899137.db2.gz LOPIOUMIWBYIQO-UHFFFAOYSA-N 1 0 378.318 2.815 20 0 GFADRO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1CC1=Cc2cc(Br)ccc2OC1 ZINC000418112752 563899455 /nfs/dbraw/zinc/89/94/55/563899455.db2.gz LODVIXVKRPMKFF-UONOGXRCSA-N 1 0 381.314 2.612 20 0 GFADRO O=C(NCCC[C@@H]1CCC[NH2+]1)N[C@@H]1COc2cc(F)c(Br)cc21 ZINC000418149360 563899843 /nfs/dbraw/zinc/89/98/43/563899843.db2.gz DRAVIGUTEGKRJT-IINYFYTJSA-N 1 0 386.265 2.853 20 0 GFADRO CCOc1cc(C[NH2+][C@H]2CCN(CC(F)F)C2)cc(Br)c1O ZINC000418136837 563899920 /nfs/dbraw/zinc/89/99/20/563899920.db2.gz QSEBYNADZKQAKV-NSHDSACASA-N 1 0 379.245 2.982 20 0 GFADRO C[C@@H]1CCN(C(=O)N[C@H]2CCOc3c(Br)cccc32)C[C@H]1C[NH3+] ZINC000418155481 563900302 /nfs/dbraw/zinc/90/03/02/563900302.db2.gz KNEBASUDCADOSS-JMSVASOKSA-N 1 0 382.302 2.899 20 0 GFADRO C[C@@H]1CCN(C(=O)N[C@H]2CCOc3c(Br)cccc32)C[C@@H]1C[NH3+] ZINC000418155487 563900421 /nfs/dbraw/zinc/90/04/21/563900421.db2.gz KNEBASUDCADOSS-XUJVJEKNSA-N 1 0 382.302 2.899 20 0 GFADRO C[C@H]([NH3+])c1ccc(CNC(=O)NCCCn2cc(Br)cn2)cc1 ZINC000418185015 563900730 /nfs/dbraw/zinc/90/07/30/563900730.db2.gz AIAKRIFNDQZGNC-LBPRGKRZSA-N 1 0 380.290 2.555 20 0 GFADRO O=C(NCCCn1cc(Br)cn1)N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1 ZINC000418191462 563900772 /nfs/dbraw/zinc/90/07/72/563900772.db2.gz KVYFJHJQDRPRIX-ZBFHGGJFSA-N 1 0 398.349 2.599 20 0 GFADRO C[C@]1(CNC(=O)NCc2cc(F)c(F)cc2Br)CCC[NH2+]C1 ZINC000418187394 563900778 /nfs/dbraw/zinc/90/07/78/563900778.db2.gz VKOGVPCKQLJCJW-HNNXBMFYSA-N 1 0 376.245 2.916 20 0 GFADRO O=C(c1ccc(I)cc1F)N1CC[NH+](CC2CC2)CC1 ZINC000448746829 563900990 /nfs/dbraw/zinc/90/09/90/563900990.db2.gz WCYWRSDUOSFRMK-UHFFFAOYSA-N 1 0 388.224 2.598 20 0 GFADRO CN(C[C@@H]1CC[N@H+](C)C1)C(=O)c1ccccc1-n1cc(Br)cn1 ZINC000448911279 563903151 /nfs/dbraw/zinc/90/31/51/563903151.db2.gz PQDIMQSSGYSZRO-CYBMUJFWSA-N 1 0 377.286 2.659 20 0 GFADRO C[C@H]1C[N@@H+](C2CCN(C(=O)Cc3sccc3Br)CC2)CCO1 ZINC000448942750 563903489 /nfs/dbraw/zinc/90/34/89/563903489.db2.gz SSXJEHDDGRWINH-LBPRGKRZSA-N 1 0 387.343 2.765 20 0 GFADRO Cc1ccc(Br)cc1CC(=O)NC[C@@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000448972808 563904437 /nfs/dbraw/zinc/90/44/37/563904437.db2.gz VVFFAGZOXVRIDM-SFHVURJKSA-N 1 0 396.373 2.688 20 0 GFADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[N@H+](C)[C@H]1CCSC1 ZINC000449011239 563905183 /nfs/dbraw/zinc/90/51/83/563905183.db2.gz PPTGAGAEKVDQFD-RISCZKNCSA-N 1 0 387.343 2.900 20 0 GFADRO O=C1NC2(CCCC2)C(=O)N1CCC[NH2+]Cc1cc(F)cc(Br)c1 ZINC000449064099 563906447 /nfs/dbraw/zinc/90/64/47/563906447.db2.gz SNQZPWDTRQTCJA-UHFFFAOYSA-N 1 0 398.276 2.933 20 0 GFADRO Fc1cccc(C[NH2+]C[C@@]2(N3CCOCC3)CCSC2)c1Br ZINC000449094949 563906560 /nfs/dbraw/zinc/90/65/60/563906560.db2.gz VDRSSEPUYRUCTR-INIZCTEOSA-N 1 0 389.334 2.886 20 0 GFADRO COCC(=O)N1CCC([NH2+]Cc2ccnc3c(Br)cccc23)CC1 ZINC000449132107 563906906 /nfs/dbraw/zinc/90/69/06/563906906.db2.gz RVSWWTCWWRMJMM-UHFFFAOYSA-N 1 0 392.297 2.724 20 0 GFADRO COCC(=O)N1CCC([NH2+][C@@H](C)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000449132535 563907018 /nfs/dbraw/zinc/90/70/18/563907018.db2.gz UXBMFUMHGHSJJY-LBPRGKRZSA-N 1 0 375.296 2.988 20 0 GFADRO OCCOc1ccccc1C[NH2+]Cc1ccc(I)cc1 ZINC000449171821 563907313 /nfs/dbraw/zinc/90/73/13/563907313.db2.gz UWXONMYPJFHMRC-UHFFFAOYSA-N 1 0 383.229 2.952 20 0 GFADRO Ic1ccc(C[NH2+]CCCOC[C@@H]2CCOC2)cc1 ZINC000449165912 563907571 /nfs/dbraw/zinc/90/75/71/563907571.db2.gz YBYLNJQOQVXCIJ-AWEZNQCLSA-N 1 0 375.250 2.824 20 0 GFADRO COC(=O)C[C@]1([NH2+]Cc2ccnc3c(Br)cccc23)CCOC1 ZINC000449249861 564178111 /nfs/dbraw/zinc/17/81/11/564178111.db2.gz MHMDPSCRWYBGCC-QGZVFWFLSA-N 1 0 379.254 2.809 20 0 GFADRO COc1ccc(CC[NH2+][C@H]2CCc3ccc(Cl)cc32)cc1S(N)(=O)=O ZINC000537962603 564178465 /nfs/dbraw/zinc/17/84/65/564178465.db2.gz DYPTWDDPANVPRB-INIZCTEOSA-N 1 0 380.897 2.816 20 0 GFADRO Cc1sc2nc(CS[C@H](C)C(=O)N[C@@H](C)C[C@@H](C)[NH3+])[nH]c(=O)c2c1C ZINC000563168792 564178635 /nfs/dbraw/zinc/17/86/35/564178635.db2.gz APLPNDDWRHUMBX-VDDIYKPWSA-N 1 0 382.555 2.877 20 0 GFADRO COC(=O)c1cn(CC[NH2+]C2CC(c3ccc(Br)cc3F)C2)nn1 ZINC000449314444 564179590 /nfs/dbraw/zinc/17/95/90/564179590.db2.gz QUWCPYNUASTHKM-UHFFFAOYSA-N 1 0 397.248 2.502 20 0 GFADRO CC(C)[NH+](CCN(C)C(=O)C(=O)Nc1ccccc1Br)C(C)C ZINC000505294594 564180386 /nfs/dbraw/zinc/18/03/86/564180386.db2.gz WZECNGMFFDGBOF-UHFFFAOYSA-N 1 0 384.318 2.965 20 0 GFADRO CSCC[C@H]([NH2+]Cc1ccc(I)cc1)C(=O)N(C)C ZINC000449331467 564180668 /nfs/dbraw/zinc/18/06/68/564180668.db2.gz YYZKYVHFXBXJTB-ZDUSSCGKSA-N 1 0 392.306 2.591 20 0 GFADRO O=c1ccc(Br)cn1CC[NH2+]Cc1cnc(C(F)(F)F)s1 ZINC000449380093 564183317 /nfs/dbraw/zinc/18/33/17/564183317.db2.gz VFSOVUGJHQLONV-UHFFFAOYSA-N 1 0 382.205 2.876 20 0 GFADRO C[NH+]1CCC([C@H]2CCN(C(=O)[C@H]3Cc4cc(Br)ccc4O3)C2)CC1 ZINC000471054553 564183871 /nfs/dbraw/zinc/18/38/71/564183871.db2.gz YOMTWPUSWZACGO-KBXCAEBGSA-N 1 0 393.325 2.943 20 0 GFADRO CN(C)C(=O)[C@@H]1CC[C@@H](C[NH2+][C@H]2CCc3c2cc(Br)cc3F)O1 ZINC000538194756 564184110 /nfs/dbraw/zinc/18/41/10/564184110.db2.gz LFWCKYRXYYSCFV-UVBJJODRSA-N 1 0 385.277 2.801 20 0 GFADRO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]C[C@H]1CCCCN1CCO ZINC000449394602 564184200 /nfs/dbraw/zinc/18/42/00/564184200.db2.gz OCHXUJQYCVVRMM-RHSMWYFYSA-N 1 0 398.345 2.603 20 0 GFADRO CC(C)(NC(=O)CCOc1ccccc1I)c1ncc[nH]1 ZINC000563284783 564184180 /nfs/dbraw/zinc/18/41/80/564184180.db2.gz JGUFJZDCAGIHLZ-UHFFFAOYSA-N 1 0 399.232 2.835 20 0 GFADRO COCCCOc1ccc(Cl)cc1S(=O)(=O)N1CCC(CC[NH3+])CC1 ZINC000563276109 564184249 /nfs/dbraw/zinc/18/42/49/564184249.db2.gz XXPVOAPIGWYLFO-UHFFFAOYSA-N 1 0 390.933 2.505 20 0 GFADRO Cn1nccc1C[N@H+](C)CCCOc1cccc(I)c1 ZINC000471076433 564184719 /nfs/dbraw/zinc/18/47/19/564184719.db2.gz MYAIJRXSYAMPMM-UHFFFAOYSA-N 1 0 385.249 2.926 20 0 GFADRO COCCCS(=O)(=O)NCC[NH2+][C@@H](c1ccc(F)cc1F)C(C)(C)C ZINC000538224010 564185624 /nfs/dbraw/zinc/18/56/24/564185624.db2.gz HABDKFWBAMWNMZ-INIZCTEOSA-N 1 0 378.485 2.598 20 0 GFADRO COc1ccc(C[N@@H+]2C[C@H](O)C[C@@H]2[C@H]2CCCOC2)c(Br)c1O ZINC000449431487 564186022 /nfs/dbraw/zinc/18/60/22/564186022.db2.gz DLCQVXSYVHXPFW-BFHYXJOUSA-N 1 0 386.286 2.525 20 0 GFADRO C[C@H]([NH2+]Cc1cc(=O)n2cc(Cl)ccc2n1)c1ccc([S@@](C)=O)cc1 ZINC000538268797 564186624 /nfs/dbraw/zinc/18/66/24/564186624.db2.gz NRLPZSXVLMIYTM-UOXLDJKESA-N 1 0 375.881 2.936 20 0 GFADRO CCN(CC)S(=O)(=O)c1ccc(C[NH2+]C2CCN(CC(F)F)CC2)s1 ZINC000538293800 564187011 /nfs/dbraw/zinc/18/70/11/564187011.db2.gz OIBXLTLNKFBJJE-UHFFFAOYSA-N 1 0 395.541 2.598 20 0 GFADRO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]Cc1cnn(CC(F)(F)F)c1 ZINC000563343212 564187616 /nfs/dbraw/zinc/18/76/16/564187616.db2.gz HBRGNQBWPAGLEO-JTQLQIEISA-N 1 0 393.207 2.548 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[N@@H+]1CC[C@H](OC)[C@@H](C)C1 ZINC000449492923 564188788 /nfs/dbraw/zinc/18/87/88/564188788.db2.gz CUQMRTMHBJMYNP-XEZPLFJOSA-N 1 0 399.329 2.819 20 0 GFADRO C[C@H](c1ccc(S(C)(=O)=O)cc1)N1CCC([NH2+][C@H]2CSC[C@H]2C)CC1 ZINC000449515852 564189101 /nfs/dbraw/zinc/18/91/01/564189101.db2.gz BXWPZSSNURHQTG-CLCXKQKWSA-N 1 0 382.595 2.957 20 0 GFADRO OC[C@@H]([C@@H]([NH2+]Cc1cn(-c2ccccc2Br)nn1)C1CC1)C1CC1 ZINC000449503152 564189104 /nfs/dbraw/zinc/18/91/04/564189104.db2.gz HMSDAIKUSRFHGE-QAPCUYQASA-N 1 0 391.313 2.917 20 0 GFADRO C[C@@H]1CN(C(=O)c2cc(I)ccc2Cl)[C@@H](C)C[NH2+]1 ZINC000505812144 564190853 /nfs/dbraw/zinc/19/08/53/564190853.db2.gz LLANBYKEFGXGNX-BDAKNGLRSA-N 1 0 378.641 2.767 20 0 GFADRO CC(C)n1cc(C[NH2+]C[C@@H](CO)Cc2cc(Br)ccc2F)nn1 ZINC000449596675 564191175 /nfs/dbraw/zinc/19/11/75/564191175.db2.gz BZKFITNYFLATFA-LBPRGKRZSA-N 1 0 385.281 2.701 20 0 GFADRO C[C@H](Cn1cc(Br)cn1)Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)cn1 ZINC000538558509 564193322 /nfs/dbraw/zinc/19/33/22/564193322.db2.gz DONUIAMNOYNKHE-CZUORRHYSA-N 1 0 393.333 2.682 20 0 GFADRO O[C@H]([C@H]1CC[N@H+](Cc2c(Cl)cccc2N2CCOCC2)C1)C(F)(F)F ZINC000449671894 564194341 /nfs/dbraw/zinc/19/43/41/564194341.db2.gz LAYBJUKDUZMTDP-BLLLJJGKSA-N 1 0 378.822 2.922 20 0 GFADRO Cc1nn(C)c(C)c1C[NH2+]C[C@H](CO)Cc1ccc(F)c(Br)c1 ZINC000449681835 564195491 /nfs/dbraw/zinc/19/54/91/564195491.db2.gz MOMYRSDFXUERJV-CQSZACIVSA-N 1 0 384.293 2.879 20 0 GFADRO CC(=O)NC1CCC([NH2+]C[C@H](CO)Cc2cccc(Br)c2C)CC1 ZINC000449681104 564196179 /nfs/dbraw/zinc/19/61/79/564196179.db2.gz HXOHZLGZGNSVAA-FAEJEUNOSA-N 1 0 397.357 2.945 20 0 GFADRO Cc1ccc(CN2CC[NH+]([C@H]3CCNC(=O)CC3)CC2)c(Br)c1 ZINC000449698284 564196910 /nfs/dbraw/zinc/19/69/10/564196910.db2.gz NARCZLQNUVSGLC-MRXNPFEDSA-N 1 0 380.330 2.544 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)NCc1ccc(C[S@@](C)=O)cc1)c1cccs1 ZINC000506159087 564197481 /nfs/dbraw/zinc/19/74/81/564197481.db2.gz FBAUDGLXFCHBFH-PUAOIOHZSA-N 1 0 379.551 2.729 20 0 GFADRO O=C1CC[C@@H]([NH+]2CCN(Cc3cnc(-c4cccs4)s3)CC2)CCN1 ZINC000449704027 564197708 /nfs/dbraw/zinc/19/77/08/564197708.db2.gz VBJMJLWAAYSARO-CQSZACIVSA-N 1 0 376.551 2.658 20 0 GFADRO C[NH2+]C[C@@H]1CCCN(C(=O)N[C@@H](c2cncc(Br)c2)C2CC2)C1 ZINC000563590558 564198058 /nfs/dbraw/zinc/19/80/58/564198058.db2.gz BMLRBHHTMYYQAT-BLLLJJGKSA-N 1 0 381.318 2.936 20 0 GFADRO Cc1ccc(I)c(C(=O)N[C@H](CC[NH3+])C(F)(F)F)c1 ZINC000449720539 564198593 /nfs/dbraw/zinc/19/85/93/564198593.db2.gz NFCGXZIMVXKWAB-SNVBAGLBSA-N 1 0 386.155 2.609 20 0 GFADRO [NH3+]CC[C@H](NC(=O)[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)C(F)(F)F ZINC000449724275 564198760 /nfs/dbraw/zinc/19/87/60/564198760.db2.gz SWLGTXLMHVERCM-CABZTGNLSA-N 1 0 398.212 2.742 20 0 GFADRO Cc1sc2ncnc(SCC(=O)N[C@@H](CC[NH3+])C(F)(F)F)c2c1C ZINC000449725672 564198833 /nfs/dbraw/zinc/19/88/33/564198833.db2.gz VLLZKENOPTVMMY-VIFPVBQESA-N 1 0 378.445 2.796 20 0 GFADRO O=C(NC[C@@H]1C[NH2+]CCO1)NC1(c2ccccc2Br)CCCCC1 ZINC000563610025 564199244 /nfs/dbraw/zinc/19/92/44/564199244.db2.gz WPQSIDFPRUYFHZ-AWEZNQCLSA-N 1 0 396.329 2.896 20 0 GFADRO C[N@H+](Cc1cnc(-c2ccc(Br)cc2)s1)CC(C)(CO)CO ZINC000538726285 564199206 /nfs/dbraw/zinc/19/92/06/564199206.db2.gz IDQIIBXEELHTTF-UHFFFAOYSA-N 1 0 385.327 2.995 20 0 GFADRO C[N@H+](CCOc1ccc(S(N)(=O)=O)cc1F)Cc1ccc(F)c(Cl)c1 ZINC000449751981 564199574 /nfs/dbraw/zinc/19/95/74/564199574.db2.gz DQNWFPAPCNLIGA-UHFFFAOYSA-N 1 0 390.839 2.776 20 0 GFADRO [NH3+]CC[C@@H](NC(=O)c1cc(=O)[nH]c2c(Br)cccc12)C(F)(F)F ZINC000449730530 564199689 /nfs/dbraw/zinc/19/96/89/564199689.db2.gz RBFKZFWFVXJIGU-SNVBAGLBSA-N 1 0 392.175 2.712 20 0 GFADRO [NH3+]C[C@@H]1CC[C@H](NC(=O)c2nn(-c3ccc(F)cc3)cc2Br)C1 ZINC000449729496 564199907 /nfs/dbraw/zinc/19/99/07/564199907.db2.gz ZWRCLHMDIYPAAK-PWSUYJOCSA-N 1 0 381.249 2.631 20 0 GFADRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)c2nn(-c3ccc(F)cc3)cc2Br)C1 ZINC000449729497 564199917 /nfs/dbraw/zinc/19/99/17/564199917.db2.gz ZWRCLHMDIYPAAK-ZYHUDNBSSA-N 1 0 381.249 2.631 20 0 GFADRO NC(=O)[C@@H]1CC[C@H]([NH2+]Cc2cc(Br)cc(Br)c2N)C1 ZINC000449755310 564200349 /nfs/dbraw/zinc/20/03/49/564200349.db2.gz OBNYZIJCUZPTLH-XCBNKYQSSA-N 1 0 391.107 2.537 20 0 GFADRO Cc1[nH]c(=O)c(Br)cc1C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000506369010 564201835 /nfs/dbraw/zinc/20/18/35/564201835.db2.gz KDCISIUTJJHKOI-TXEJJXNPSA-N 1 0 384.318 2.956 20 0 GFADRO O=C(NCC[N@H+]1CC=CCC1)c1cnn(-c2ccc(Br)cc2)c1 ZINC000538825392 564202029 /nfs/dbraw/zinc/20/20/29/564202029.db2.gz KZDIJZBTGUGODS-UHFFFAOYSA-N 1 0 375.270 2.627 20 0 GFADRO Cn1ncc(Br)c1C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000449838418 564204861 /nfs/dbraw/zinc/20/48/61/564204861.db2.gz FNFJWAOBRBSJDG-AWEZNQCLSA-N 1 0 383.334 2.911 20 0 GFADRO COCCN(CC[NH+](C)C)C(=O)c1cc(Br)cc(OC(C)C)c1 ZINC000471889081 564206087 /nfs/dbraw/zinc/20/60/87/564206087.db2.gz SWSYZYQSKPUHJV-UHFFFAOYSA-N 1 0 387.318 2.887 20 0 GFADRO C[C@@H]1c2cc(Cl)c(Cl)cc2CCN1C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000538977407 564207480 /nfs/dbraw/zinc/20/74/80/564207480.db2.gz RLYZWOHCHVPXRL-TZMCWYRMSA-N 1 0 385.339 2.868 20 0 GFADRO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@@H]1CC(=O)N([C@@H]2C[C@H]2C)C1 ZINC000539086971 564208366 /nfs/dbraw/zinc/20/83/66/564208366.db2.gz GHLZHNRNZVOOGV-CZPYZCIJSA-N 1 0 394.313 2.765 20 0 GFADRO OC[C@H]([NH2+]C1CCN(c2cnccn2)CC1)c1cccc(Br)c1 ZINC000539058851 564208763 /nfs/dbraw/zinc/20/87/63/564208763.db2.gz MKXIQXBCHOUIGQ-INIZCTEOSA-N 1 0 377.286 2.531 20 0 GFADRO C[C@H]1C[C@H](NC(=O)c2ccccc2-n2cc(Br)cn2)CC[N@@H+]1C ZINC000449941126 564209769 /nfs/dbraw/zinc/20/97/69/564209769.db2.gz OWEVIUUMCBZSRM-GXTWGEPZSA-N 1 0 377.286 2.847 20 0 GFADRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)c1c[nH]c2ncc(Br)cc12 ZINC000472032280 564210977 /nfs/dbraw/zinc/21/09/77/564210977.db2.gz PPJDIKBQHUIHMI-CYBMUJFWSA-N 1 0 395.301 2.508 20 0 GFADRO C[NH+](C)[C@@]1(CNC(=O)c2ccnc(-c3ccc(Cl)cc3)n2)CCSC1 ZINC000563874056 564210938 /nfs/dbraw/zinc/21/09/38/564210938.db2.gz FJGAJWRMVJOTIF-GOSISDBHSA-N 1 0 376.913 2.964 20 0 GFADRO C[C@H]1CN(C(=O)c2ccccc2-n2cc(Br)cn2)C[C@H]1[NH+](C)C ZINC000449985604 564211523 /nfs/dbraw/zinc/21/15/23/564211523.db2.gz MLWWWGROUKUSCX-BLLLJJGKSA-N 1 0 377.286 2.657 20 0 GFADRO CC[NH+](CC)CCN(CCOC)C(=O)Cc1cscc1Br ZINC000563901885 564211705 /nfs/dbraw/zinc/21/17/05/564211705.db2.gz IPSCSQJSMLRCMF-UHFFFAOYSA-N 1 0 377.348 2.870 20 0 GFADRO C[NH+](C)[C@]1(CNC(=O)N[C@@H]2CCO[C@@H]2c2ccc(Cl)cc2)CCSC1 ZINC000539227656 564214055 /nfs/dbraw/zinc/21/40/55/564214055.db2.gz RIKGWLRYKANEJK-NUJGCVRESA-N 1 0 383.945 2.907 20 0 GFADRO C[NH+](C)C1(CNC(=O)NCc2nc3cc(Cl)ccc3s2)CCOCC1 ZINC000506953917 564214292 /nfs/dbraw/zinc/21/42/92/564214292.db2.gz QYWFABNWGBKWQG-UHFFFAOYSA-N 1 0 382.917 2.860 20 0 GFADRO CC(C)OCC[C@H](O)C[NH2+]C(C)(C)COc1ncccc1Br ZINC000472149475 564214454 /nfs/dbraw/zinc/21/44/54/564214454.db2.gz CJTSNJFQXGXGNG-ZDUSSCGKSA-N 1 0 375.307 2.767 20 0 GFADRO CSc1nc(C(C)(C)C)nc(C)c1C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000472170107 564214736 /nfs/dbraw/zinc/21/47/36/564214736.db2.gz HHIHZBCQFHONRO-SFHVURJKSA-N 1 0 382.599 2.972 20 0 GFADRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1ccc(I)cc1F ZINC000450106159 564217514 /nfs/dbraw/zinc/21/75/14/564217514.db2.gz NFOWJGIKFJZOBK-LKFCYVNXSA-N 1 0 388.224 2.643 20 0 GFADRO C[C@H](CNC(=O)c1cn2ccc(Br)cc2n1)C[NH+]1CCCCC1 ZINC000507186644 564220958 /nfs/dbraw/zinc/22/09/58/564220958.db2.gz GBYRHBKYKQPHBK-CYBMUJFWSA-N 1 0 379.302 2.949 20 0 GFADRO CS[C@@H]1CN([C@@H](C)C(=O)N(C)Cc2c(F)cccc2Cl)C[C@H]1[NH+](C)C ZINC000539483807 564221211 /nfs/dbraw/zinc/22/12/11/564221211.db2.gz QISIXSUCRYHASA-JCURWCKSSA-N 1 0 387.952 2.803 20 0 GFADRO CS[C@H]1CN(CC(=O)Nc2nc(-c3ccccc3)cs2)C[C@@H]1[NH+](C)C ZINC000539472439 564221239 /nfs/dbraw/zinc/22/12/39/564221239.db2.gz MCTBHBKKSDALBN-HOTGVXAUSA-N 1 0 376.551 2.726 20 0 GFADRO C[C@H](CNc1cc(Br)cnc1C(N)=O)[N@H+](C)Cc1ccccc1 ZINC000472483926 564224539 /nfs/dbraw/zinc/22/45/39/564224539.db2.gz BSIZEGWTBODJGV-GFCCVEGCSA-N 1 0 377.286 2.875 20 0 GFADRO O=C(CCC(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1)c1cc(Cl)sc1Cl ZINC000564207903 564224769 /nfs/dbraw/zinc/22/47/69/564224769.db2.gz RKFSVHIBOHYFOU-LLVKDONJSA-N 1 0 390.336 2.524 20 0 GFADRO C[C@H](CN1CC[NH+](C)CC1)Nc1ncc(Br)cc1C(F)(F)F ZINC000450317104 564226678 /nfs/dbraw/zinc/22/66/78/564226678.db2.gz JFFROLOQGBUMQM-SNVBAGLBSA-N 1 0 381.240 2.911 20 0 GFADRO Cc1ccc(NC(=O)C(=O)N[C@@H](c2nccn2C)C2CC2)c(Br)c1 ZINC000507389489 564227670 /nfs/dbraw/zinc/22/76/70/564227670.db2.gz BTHAFMGCGQJYLM-CQSZACIVSA-N 1 0 391.269 2.697 20 0 GFADRO CCOC(=O)COc1c(Br)cc(C)cc1C[NH2+]C[C@H](O)C1CC1 ZINC000564315726 564228679 /nfs/dbraw/zinc/22/86/79/564228679.db2.gz XQAHRQKIWXTDLS-HNNXBMFYSA-N 1 0 386.286 2.560 20 0 GFADRO C[N@H+](CCNC(=O)c1cn2ccc(Br)cc2n1)Cc1ccccc1 ZINC000507509455 564230599 /nfs/dbraw/zinc/23/05/99/564230599.db2.gz LXQAVUVZPTXPGF-UHFFFAOYSA-N 1 0 387.281 2.959 20 0 GFADRO CN1CCN(C(=O)CC[N@@H+]2CCC[C@@H]2c2cccc(Br)c2)CC1 ZINC000472746129 564232480 /nfs/dbraw/zinc/23/24/80/564232480.db2.gz GLRSWNHLXNGRDC-QGZVFWFLSA-N 1 0 380.330 2.750 20 0 GFADRO C[N@H+](CCCC(=O)c1ccc(Br)cc1)C[C@@H]1CCS(=O)(=O)C1 ZINC000450429593 564232839 /nfs/dbraw/zinc/23/28/39/564232839.db2.gz MBHJHYQMLSXQCV-ZDUSSCGKSA-N 1 0 388.327 2.779 20 0 GFADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)NCc1cc(Cl)sc1Cl ZINC000472784107 564233849 /nfs/dbraw/zinc/23/38/49/564233849.db2.gz FMAXBHHDWYEBGI-NSHDSACASA-N 1 0 379.357 2.880 20 0 GFADRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1c1ncnc2cc(Br)ccc21 ZINC000450467813 564234049 /nfs/dbraw/zinc/23/40/49/564234049.db2.gz MBAAVAYZVZQHGV-GFCCVEGCSA-N 1 0 379.302 2.674 20 0 GFADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]CCc1ccc2c(c1)CCO2 ZINC000564474099 564234195 /nfs/dbraw/zinc/23/41/95/564234195.db2.gz CODCWFPYJKEWAJ-CYBMUJFWSA-N 1 0 377.282 2.767 20 0 GFADRO C[C@@H](CO)[N@@H+]1CCCN(c2ncc(Br)cc2C(F)(F)F)CC1 ZINC000450478017 564234499 /nfs/dbraw/zinc/23/44/99/564234499.db2.gz YZOOJFTUQPDLRI-JTQLQIEISA-N 1 0 382.224 2.756 20 0 GFADRO CC(C)[N@H+](C)C[C@H](C)NC(=O)C(=O)Nc1cc(Br)c(F)cc1F ZINC000564477716 564235672 /nfs/dbraw/zinc/23/56/72/564235672.db2.gz GXLKJRDFOGDSMW-VIFPVBQESA-N 1 0 392.244 2.511 20 0 GFADRO O=C1CC[C@H](C[NH+]2CCN(Cc3ccc(Br)c(F)c3)CC2)CCN1 ZINC000450503808 564235874 /nfs/dbraw/zinc/23/58/74/564235874.db2.gz SNFWTALEFRRDEC-AWEZNQCLSA-N 1 0 398.320 2.622 20 0 GFADRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)c1ccc(-n2cc(Br)cn2)cc1 ZINC000540017667 564236875 /nfs/dbraw/zinc/23/68/75/564236875.db2.gz BZBZXJRTOVHXJB-CHWSQXEVSA-N 1 0 377.286 2.799 20 0 GFADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)NC(C)(C)Cc1ccc(Cl)cc1Cl ZINC000472989132 564238238 /nfs/dbraw/zinc/23/82/38/564238238.db2.gz WLNNALHMNGUPEE-HNNXBMFYSA-N 1 0 387.355 2.860 20 0 GFADRO CCN(CCC[NH+](CC)CC)C(=O)CNC(=O)c1cccc(Br)c1 ZINC000472991731 564238313 /nfs/dbraw/zinc/23/83/13/564238313.db2.gz IMQNCQPYAZXTPD-UHFFFAOYSA-N 1 0 398.345 2.759 20 0 GFADRO O=C(Nc1cccc(Br)c1)C1CC[NH+](C[C@H]2COCCO2)CC1 ZINC000450548127 564238910 /nfs/dbraw/zinc/23/89/10/564238910.db2.gz QIFRKNJCIUDGMA-INIZCTEOSA-N 1 0 383.286 2.515 20 0 GFADRO CC[C@H]([NH2+][C@H](C)C(=O)Nc1cccc(S(=O)(=O)NC)c1)c1cccs1 ZINC000540175591 564241160 /nfs/dbraw/zinc/24/11/60/564241160.db2.gz SSVOAXBZMPAUKV-DOMZBBRYSA-N 1 0 381.523 2.724 20 0 GFADRO CN1CCN(C(=O)C[NH2+][C@@H](c2ccc(Br)cc2)C2CCC2)CC1 ZINC000540376106 564246911 /nfs/dbraw/zinc/24/69/11/564246911.db2.gz BKKJYDWFNJDYRA-GOSISDBHSA-N 1 0 380.330 2.654 20 0 GFADRO C[C@H]1CC[N@H+](CC(=O)NCc2ccc(Cl)cc2I)C1 ZINC000564736531 564247126 /nfs/dbraw/zinc/24/71/26/564247126.db2.gz MTSCWTZFLJDFOC-JTQLQIEISA-N 1 0 392.668 2.903 20 0 GFADRO O[C@@H](C[NH2+][C@@H](c1ccc(Br)cc1)C1CCC1)CN1CCOCC1 ZINC000540380218 564247202 /nfs/dbraw/zinc/24/72/02/564247202.db2.gz MNCUAHCKDDJLNW-ZWKOTPCHSA-N 1 0 383.330 2.573 20 0 GFADRO Cc1ccc(Br)cc1C[NH2+][C@@H]1CCCC[C@@H]1NS(C)(=O)=O ZINC000450864734 564252032 /nfs/dbraw/zinc/25/20/32/564252032.db2.gz UZHOMARDTGGJPJ-CABCVRRESA-N 1 0 375.332 2.708 20 0 GFADRO CS[C@H]1CN(C(=O)c2cc(C)n(-c3ccccc3Cl)n2)C[C@@H]1[NH+](C)C ZINC000540688043 564255194 /nfs/dbraw/zinc/25/51/94/564255194.db2.gz NIJZEOBWBUAAFG-IRXDYDNUSA-N 1 0 378.929 2.952 20 0 GFADRO CC[NH+]1CCC(N2CCCN(S(=O)(=O)c3cccc(Cl)c3)CC2)CC1 ZINC000564908761 564256284 /nfs/dbraw/zinc/25/62/84/564256284.db2.gz RIJIZLBCSGGFPR-UHFFFAOYSA-N 1 0 385.961 2.521 20 0 GFADRO C[NH+](C)[C@H](CNS(=O)(=O)c1cnccc1C(F)(F)F)C1CCCCC1 ZINC000473902139 564256413 /nfs/dbraw/zinc/25/64/13/564256413.db2.gz BJDBXCDADBWHJN-CQSZACIVSA-N 1 0 379.448 2.889 20 0 GFADRO CO[C@@H](C[NH3+])CC(=O)N[C@@H](Cc1ccccn1)c1ccc(Br)cc1 ZINC000564936021 564258058 /nfs/dbraw/zinc/25/80/58/564258058.db2.gz IJWKRBAFZMJDPW-SJORKVTESA-N 1 0 392.297 2.608 20 0 GFADRO C[NH2+]CC1CCN(C(=O)c2ncc(Br)cc2Br)CC1 ZINC000564942156 564258136 /nfs/dbraw/zinc/25/81/36/564258136.db2.gz ILTNUACIEJYSHC-UHFFFAOYSA-N 1 0 391.107 2.678 20 0 GFADRO C[C@H](NC(=O)[C@](C)([NH3+])c1ccc(Br)cc1)[C@H](O)Cc1ccccc1 ZINC000564934359 564258428 /nfs/dbraw/zinc/25/84/28/564258428.db2.gz KRAGEMGFRPEEJG-BOFPYLFWSA-N 1 0 391.309 2.731 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]1C1CCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000564967447 564259846 /nfs/dbraw/zinc/25/98/46/564259846.db2.gz XVOFGBFAMUBWSC-CVEARBPZSA-N 1 0 393.336 2.651 20 0 GFADRO Brc1ccc(C[NH2+][C@@H]2CCn3ccnc3C2)c(N2CCOCC2)c1 ZINC000473988143 564260580 /nfs/dbraw/zinc/26/05/80/564260580.db2.gz RFMCOQJQOGTSSE-MRXNPFEDSA-N 1 0 391.313 2.587 20 0 GFADRO Cn1ccnc1CNc1ccc(CN2CC[NH+](C)CC2)c(Br)c1 ZINC000474011731 564261660 /nfs/dbraw/zinc/26/16/60/564261660.db2.gz MSWWOQSQPKKOGP-UHFFFAOYSA-N 1 0 378.318 2.542 20 0 GFADRO C[C@@H]1CC[NH2+][C@H](C(=O)NC[C@@H]2CCN(c3ccc(Br)cc3)C2)C1 ZINC000565028767 564262780 /nfs/dbraw/zinc/26/27/80/564262780.db2.gz PMMONIIAQVNAKC-KEYYUXOJSA-N 1 0 380.330 2.780 20 0 GFADRO C[C@@H](NC(=O)N[C@H](CCO)c1ccccc1Br)C1=CC[N@H+](C)CC1 ZINC000541018788 564263386 /nfs/dbraw/zinc/26/33/86/564263386.db2.gz HPIROCMPYILGRL-CXAGYDPISA-N 1 0 396.329 2.822 20 0 GFADRO C[NH+](C)CCn1nccc1NS(=O)(=O)Cc1cc(Cl)cc(Cl)c1 ZINC000451042277 564267064 /nfs/dbraw/zinc/26/70/64/564267064.db2.gz CHQLZVLYPAIQFP-UHFFFAOYSA-N 1 0 377.297 2.693 20 0 GFADRO C[NH+](C)CCN(CC(=O)Nc1ccccc1Br)Cc1ccccn1 ZINC000565164433 564268700 /nfs/dbraw/zinc/26/87/00/564268700.db2.gz SKSOCGGRVNLPFB-UHFFFAOYSA-N 1 0 391.313 2.846 20 0 GFADRO O=S(=O)(NCCC[NH+]1CCCC1)c1ccc(Cl)cc1Br ZINC000541216486 564269752 /nfs/dbraw/zinc/26/97/52/564269752.db2.gz SWHYOGLUAYMPMP-UHFFFAOYSA-N 1 0 381.723 2.867 20 0 GFADRO C[C@@H](CO)[N@@H+]1CCCN(C(=O)c2cc(Cl)c(F)cc2Br)CC1 ZINC000451085926 564271900 /nfs/dbraw/zinc/27/19/00/564271900.db2.gz LWTRYPCEOYOOSY-JTQLQIEISA-N 1 0 393.684 2.770 20 0 GFADRO CCC[N@@H+]1CC[C@H](CNC(=O)NCCOc2ncc(Cl)cc2Cl)C1 ZINC000474258007 564272684 /nfs/dbraw/zinc/27/26/84/564272684.db2.gz IXLWVTJDWQPQMN-GFCCVEGCSA-N 1 0 375.300 2.798 20 0 GFADRO C[C@@H](NC(=O)NCCn1cc(Br)cn1)[C@H](c1ccccc1)[NH+](C)C ZINC000508855764 564275284 /nfs/dbraw/zinc/27/52/84/564275284.db2.gz VBROJZVQVIEIEQ-CZUORRHYSA-N 1 0 394.317 2.636 20 0 GFADRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)N[C@H](C)c1ncc(Br)cn1 ZINC000565340737 564276701 /nfs/dbraw/zinc/27/67/01/564276701.db2.gz AIBYOBZHZKJWAZ-OCCSQVGLSA-N 1 0 384.322 2.864 20 0 GFADRO C[C@H]1C[C@@H](NS(=O)(=O)c2ccc(Cl)cc2Br)CC[N@@H+]1C ZINC000541387678 564277598 /nfs/dbraw/zinc/27/75/98/564277598.db2.gz ZLMNWWGAFLFREM-ONGXEEELSA-N 1 0 381.723 2.864 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000565357830 564277836 /nfs/dbraw/zinc/27/78/36/564277836.db2.gz ALCOWGJIMBENOZ-LSDHHAIUSA-N 1 0 392.301 2.704 20 0 GFADRO CC(C)[C@H](CNC(=O)C(=O)N(C)CCC[NH3+])Cc1ccc(Cl)cc1Cl ZINC000565371234 564278220 /nfs/dbraw/zinc/27/82/20/564278220.db2.gz CQTLDLXLSBYTDW-AWEZNQCLSA-N 1 0 388.339 2.732 20 0 GFADRO O=C(Cc1ccc(Cl)s1)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000509033245 564278557 /nfs/dbraw/zinc/27/85/57/564278557.db2.gz KXCGPJQQBKGXJJ-UHFFFAOYSA-N 1 0 377.941 2.878 20 0 GFADRO C[N@H+](CCCC(=O)c1ccc(Br)cc1)[C@@H]1CCN2CCO[C@H]1C2 ZINC000451135455 564278806 /nfs/dbraw/zinc/27/88/06/564278806.db2.gz BKDKWVKJEHYCHH-AEFFLSMTSA-N 1 0 381.314 2.817 20 0 GFADRO COCC[N@H+](C)CCCNCc1c(F)ccc(I)c1F ZINC000474481677 564279596 /nfs/dbraw/zinc/27/95/96/564279596.db2.gz XTNGTECYBQNBGY-UHFFFAOYSA-N 1 0 398.235 2.627 20 0 GFADRO CCS(=O)(=O)NCC[NH+]1CCC(C)(c2cccc(Br)c2)CC1 ZINC000509050333 564280090 /nfs/dbraw/zinc/28/00/90/564280090.db2.gz VVSUGOXLISHLRS-UHFFFAOYSA-N 1 0 389.359 2.742 20 0 GFADRO CC[N@H+](CCC(=O)NC(N)=O)[C@H]1CCSc2ccc(Br)cc21 ZINC000509056702 564280162 /nfs/dbraw/zinc/28/01/62/564280162.db2.gz PAVBXEZBVRXOJR-LBPRGKRZSA-N 1 0 386.315 2.893 20 0 GFADRO Cc1cc(S(=O)(=O)N[C@H]2CCC[N@@H+](C(C)C)C2)ccc1Br ZINC000474574669 564281637 /nfs/dbraw/zinc/28/16/37/564281637.db2.gz DIHCQYYHXOCFRA-ZDUSSCGKSA-N 1 0 375.332 2.909 20 0 GFADRO Ic1cnc(CN2CC[C@@H]([NH+]3CCCCC3)C2)s1 ZINC000565450802 564281725 /nfs/dbraw/zinc/28/17/25/564281725.db2.gz QHNMIVRTTDMGPN-LLVKDONJSA-N 1 0 377.295 2.808 20 0 GFADRO COc1cc(C(F)(F)F)cc(S(=O)(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)c1 ZINC000451194061 564285608 /nfs/dbraw/zinc/28/56/08/564285608.db2.gz RHYFXESAHQOEDD-DGCLKSJQSA-N 1 0 378.416 2.571 20 0 GFADRO Cc1nnc(C[N@@H+]2CC[C@@H](Cc3cccc(I)c3)C2)n1C ZINC000451192631 564285634 /nfs/dbraw/zinc/28/56/34/564285634.db2.gz OQFFLMIRJZDKST-AWEZNQCLSA-N 1 0 396.276 2.793 20 0 GFADRO COc1cc(Br)cc(S(=O)(=O)N(C)CCC[NH+]2CCCC2)c1 ZINC000541760144 564288000 /nfs/dbraw/zinc/28/80/00/564288000.db2.gz FHZKZKMJSYNWEW-UHFFFAOYSA-N 1 0 391.331 2.564 20 0 GFADRO COC(=O)[C@@H]1CCCCC[C@@H]1[NH2+][C@@H](C(N)=O)c1ccc(Br)cc1 ZINC000451229620 564289312 /nfs/dbraw/zinc/28/93/12/564289312.db2.gz LXMVWYOPDLJMDX-QLFBSQMISA-N 1 0 383.286 2.687 20 0 GFADRO CC(C)([NH3+])c1nocc1C(=O)N[C@@H]1CCN(c2ccccc2Br)C1 ZINC000565664502 564290875 /nfs/dbraw/zinc/29/08/75/564290875.db2.gz BQDMFUWNWPBEQA-LLVKDONJSA-N 1 0 393.285 2.640 20 0 GFADRO O=C(NCCNc1cccc(Br)c1)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000541846145 564292661 /nfs/dbraw/zinc/29/26/61/564292661.db2.gz JLCLLRQLFJVQBJ-HOTGVXAUSA-N 1 0 381.318 2.787 20 0 GFADRO Cc1ncsc1CCS(=O)(=O)NCC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000451265113 564293031 /nfs/dbraw/zinc/29/30/31/564293031.db2.gz AUXSGPZEDXHMCU-OAHLLOKOSA-N 1 0 381.567 2.824 20 0 GFADRO CCC[N@H+](CC)CCNS(=O)(=O)Cc1ccc(Br)c(F)c1 ZINC000451268630 564293331 /nfs/dbraw/zinc/29/33/31/564293331.db2.gz MTQBMJHHRRHSBM-UHFFFAOYSA-N 1 0 381.311 2.740 20 0 GFADRO C[C@@H](CCc1ccc(I)cc1)[NH2+]CCCn1ccnn1 ZINC000474928207 564293475 /nfs/dbraw/zinc/29/34/75/564293475.db2.gz SNYLCQINAVLGNJ-ZDUSSCGKSA-N 1 0 384.265 2.884 20 0 GFADRO CC(C)[N@@H+]1C[C@H](C)[C@H](NS(=O)(=O)Cc2ccc(Br)c(F)c2)C1 ZINC000451275921 564293810 /nfs/dbraw/zinc/29/38/10/564293810.db2.gz YSXQTXMJZCMFDL-XHDPSFHLSA-N 1 0 393.322 2.736 20 0 GFADRO OCC[C@H]([NH2+]C[C@H](O)COCc1ccco1)c1ccccc1Br ZINC000541951723 564296578 /nfs/dbraw/zinc/29/65/78/564296578.db2.gz JCRZIYHHTKRYAT-GUYCJALGSA-N 1 0 384.270 2.633 20 0 GFADRO CC[C@H](CCO)C[NH2+]C[C@H](O)COc1ccc(Cl)cc1Br ZINC000565833444 564297908 /nfs/dbraw/zinc/29/79/08/564297908.db2.gz DEUOYBHVNMGSKE-YPMHNXCESA-N 1 0 380.710 2.840 20 0 GFADRO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1c1cc(C(F)(F)F)c(Br)cn1 ZINC000565830161 564298004 /nfs/dbraw/zinc/29/80/04/564298004.db2.gz FZXKVHPMBIKSSI-VHSXEESVSA-N 1 0 382.224 2.754 20 0 GFADRO O[C@@H]1C[C@@H]([C@H]2CCCOC2)[N@H+](CCOc2cc(F)cc(Br)c2)C1 ZINC000451302630 564299030 /nfs/dbraw/zinc/29/90/30/564299030.db2.gz KTXUGMCEBKTDGX-MJEQTWJJSA-N 1 0 388.277 2.829 20 0 GFADRO Cc1c2cccc(Br)c2oc1C(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000542022830 564299502 /nfs/dbraw/zinc/29/95/02/564299502.db2.gz HLNJMJDBWAYNPK-LBPRGKRZSA-N 1 0 381.270 2.906 20 0 GFADRO O=C(CCNC(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1)Nc1cc(Cl)cc(Cl)c1 ZINC000565883055 564300686 /nfs/dbraw/zinc/30/06/86/564300686.db2.gz LRKVWHSVUZGNIN-NEPJUHHUSA-N 1 0 385.295 2.573 20 0 GFADRO C[NH+](C)C1CCC(NC(=O)c2cccnc2-n2cc(Br)cn2)CC1 ZINC000566081401 564308357 /nfs/dbraw/zinc/30/83/57/564308357.db2.gz TYUSODKAWCMYSY-UHFFFAOYSA-N 1 0 392.301 2.632 20 0 GFADRO C[C@H](Cc1ccccc1Br)NC(=O)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000566087716 564308593 /nfs/dbraw/zinc/30/85/93/564308593.db2.gz GFXXQFHUBDYVIJ-CZUORRHYSA-N 1 0 391.313 2.931 20 0 GFADRO COCCCS(=O)(=O)NCC[N@H+](C)[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000475524315 564310366 /nfs/dbraw/zinc/31/03/66/564310366.db2.gz GXYAFTLKBGYFQD-ZDUSSCGKSA-N 1 0 382.448 2.654 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)C[NH2+]C[C@H](O)COc1ccccc1 ZINC000566110259 564310435 /nfs/dbraw/zinc/31/04/35/564310435.db2.gz XNDRMABEVNPHSF-HNNXBMFYSA-N 1 0 393.281 2.726 20 0 GFADRO CS[C@@H]1CN(S(=O)(=O)C[C@@H]2CCCCC2(F)F)C[C@H]1[NH+]1CCCC1 ZINC000451408188 564310508 /nfs/dbraw/zinc/31/05/08/564310508.db2.gz NBVPDAXOBQWZME-RRFJBIMHSA-N 1 0 382.542 2.653 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)C[NH2+]C[C@@H](O)COc1ccccc1 ZINC000566107514 564310549 /nfs/dbraw/zinc/31/05/49/564310549.db2.gz KXZOYSQGELIKOZ-OAHLLOKOSA-N 1 0 393.281 2.726 20 0 GFADRO O=C(C[NH2+]Cc1cnc2ccc(Br)cn12)N1Cc2ccccc2C1 ZINC000475516763 564310895 /nfs/dbraw/zinc/31/08/95/564310895.db2.gz OBNDPYUTQNMSAN-UHFFFAOYSA-N 1 0 385.265 2.729 20 0 GFADRO CCS(=O)(=O)c1ccc(C[NH2+]C[C@H](O)COc2ccccc2Cl)s1 ZINC000566126027 564311623 /nfs/dbraw/zinc/31/16/23/564311623.db2.gz ZCIHSJZGDIPBJA-LBPRGKRZSA-N 1 0 389.926 2.725 20 0 GFADRO C[C@@H](C[NH+]1CCCCC1)NS(=O)(=O)Cc1ccc(Br)c(F)c1 ZINC000451436840 564313130 /nfs/dbraw/zinc/31/31/30/564313130.db2.gz XCZVFMQBHFVOOK-LBPRGKRZSA-N 1 0 393.322 2.882 20 0 GFADRO Ic1ccc(CN2CCC[C@H]2C[NH2+]Cc2cc[nH]n2)cc1 ZINC000475635468 564314492 /nfs/dbraw/zinc/31/44/92/564314492.db2.gz PYLKWRZLJKSHNR-INIZCTEOSA-N 1 0 396.276 2.769 20 0 GFADRO CC[NH2+]CCCNC(=O)c1nnn(-c2ccc(Br)cc2)c1C1CC1 ZINC000566203270 564316247 /nfs/dbraw/zinc/31/62/47/564316247.db2.gz BTEBPJSYDAHCGO-UHFFFAOYSA-N 1 0 392.301 2.637 20 0 GFADRO Cc1cc(Br)ccc1SCC(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000566211014 564317492 /nfs/dbraw/zinc/31/74/92/564317492.db2.gz HFAZOIPYVIURGU-LBPRGKRZSA-N 1 0 379.270 2.963 20 0 GFADRO O=S(=O)(c1ccc(C(F)(F)F)c(F)c1)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000566224050 564317569 /nfs/dbraw/zinc/31/75/69/564317569.db2.gz FUHJSGHRXSEAKE-NWDGAFQWSA-N 1 0 380.407 2.855 20 0 GFADRO C[C@@H]([NH3+])[C@H](C)NC(=O)c1nn(-c2ccc(Br)cc2)c2c1CCCC2 ZINC000566214438 564317574 /nfs/dbraw/zinc/31/75/74/564317574.db2.gz JEMGOSIDUGJJQA-NEPJUHHUSA-N 1 0 391.313 2.979 20 0 GFADRO OC[C@H](C[NH2+]C[C@@H](O)COc1c(Cl)cccc1Cl)Cc1cccnc1 ZINC000566231411 564318506 /nfs/dbraw/zinc/31/85/06/564318506.db2.gz PWEPDHREKCZDEI-LSDHHAIUSA-N 1 0 385.291 2.569 20 0 GFADRO COCCOc1ccc(Br)cc1NC(=O)N(C)CCC[NH+](C)C ZINC000542686343 564321006 /nfs/dbraw/zinc/32/10/06/564321006.db2.gz JYLQZNVSLZRQIC-UHFFFAOYSA-N 1 0 388.306 2.890 20 0 GFADRO O=S(=O)(N[C@@H]1CC[N@@H+](C2CCCC2)C1)c1ccc(Br)cc1F ZINC000475804158 564321126 /nfs/dbraw/zinc/32/11/26/564321126.db2.gz GLKUOKISOMMURY-GFCCVEGCSA-N 1 0 391.306 2.883 20 0 GFADRO CC[C@@H]([NH2+]CCc1ccc(S(=O)(=O)N(CC)CC)s1)c1ccn(C)n1 ZINC000542667588 564321308 /nfs/dbraw/zinc/32/13/08/564321308.db2.gz RUQMSXUVAWPAQP-OAHLLOKOSA-N 1 0 384.571 2.796 20 0 GFADRO O=S1(=O)CCO[C@H](C[NH2+][C@H]2CCC[C@@H]2c2cccc(C(F)(F)F)c2)C1 ZINC000566351968 564324598 /nfs/dbraw/zinc/32/45/98/564324598.db2.gz NULQGCVUUFJDDJ-OAGGEKHMSA-N 1 0 377.428 2.745 20 0 GFADRO CNC(=O)CCC[N@H+](C)Cc1cccc(Br)c1OCC(C)(C)O ZINC000566415970 564326371 /nfs/dbraw/zinc/32/63/71/564326371.db2.gz HCKKZIUXGARQHV-UHFFFAOYSA-N 1 0 387.318 2.557 20 0 GFADRO CO[C@@H]1CCN(CC(=O)Nc2cccc(I)c2)C[C@H]1C ZINC000451569188 564326578 /nfs/dbraw/zinc/32/65/78/564326578.db2.gz OGEZURGZJVNNRH-BXUZGUMPSA-N 1 0 388.249 2.587 20 0 GFADRO C[C@H](NC(=O)NCc1n[nH]cc1Br)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000542829467 564327783 /nfs/dbraw/zinc/32/77/83/564327783.db2.gz PEZDMLKMOUVTKO-NWDGAFQWSA-N 1 0 384.322 2.624 20 0 GFADRO OC[C@@H]([C@@H]([NH2+]Cc1nnc(-c2ccc(Br)o2)o1)C1CC1)C1CC1 ZINC000451584563 564328250 /nfs/dbraw/zinc/32/82/50/564328250.db2.gz BJJUVHHUSYPWKO-ABAIWWIYSA-N 1 0 382.258 2.979 20 0 GFADRO C[NH+]1CCC(CCO)(NCc2cccc(Br)c2OC(F)F)CC1 ZINC000566476054 564328793 /nfs/dbraw/zinc/32/87/93/564328793.db2.gz SPIAQDJMBMUFIV-UHFFFAOYSA-N 1 0 393.272 2.987 20 0 GFADRO CC1CC[NH+](C[C@@H](O)CNC(=O)C2(c3ccccc3Br)CC2)CC1 ZINC000476277566 564333449 /nfs/dbraw/zinc/33/34/49/564333449.db2.gz LKCOGPPSRFRIQQ-HNNXBMFYSA-N 1 0 395.341 2.690 20 0 GFADRO O=C(N[C@@H]1COc2c1ccc(Cl)c2Cl)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000566672585 564337235 /nfs/dbraw/zinc/33/72/35/564337235.db2.gz LHEUGERNKUGBMW-SMDDNHRTSA-N 1 0 381.263 2.978 20 0 GFADRO CCCN(CC[NH+]1CCCCC1)S(=O)(=O)c1ccc(Br)cn1 ZINC000510534018 564337357 /nfs/dbraw/zinc/33/73/57/564337357.db2.gz NODNBLSHTGGRAR-UHFFFAOYSA-N 1 0 390.347 2.731 20 0 GFADRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1S(=O)(=O)c1cccc(OC(F)(F)F)c1 ZINC000510537255 564337633 /nfs/dbraw/zinc/33/76/33/564337633.db2.gz HNAJTCLMWFPHOH-CHWSQXEVSA-N 1 0 378.416 2.833 20 0 GFADRO COc1ccc(C[NH2+][C@H](Cc2ccc(F)cc2)C(N)=O)cc1Br ZINC000543161309 564340982 /nfs/dbraw/zinc/34/09/82/564340982.db2.gz KPXMHEGNNXUQQX-OAHLLOKOSA-N 1 0 381.245 2.783 20 0 GFADRO CC[C@@H]([NH2+]Cc1cncc(Br)c1)c1cccc(S(N)(=O)=O)c1 ZINC000543186962 564341956 /nfs/dbraw/zinc/34/19/56/564341956.db2.gz YFCLSYAZBCIFQW-OAHLLOKOSA-N 1 0 384.299 2.732 20 0 GFADRO COCC[NH+](CCOC)C1CCN(Cc2ccc(Br)o2)CC1 ZINC000566765447 564342241 /nfs/dbraw/zinc/34/22/41/564342241.db2.gz UFZUIGFFDARLQF-UHFFFAOYSA-N 1 0 375.307 2.601 20 0 GFADRO C[C@@]1([NH2+]Cc2cc(=O)n3cc(Br)ccc3n2)CCO[C@H]1C1CC1 ZINC000543238352 564344036 /nfs/dbraw/zinc/34/40/36/564344036.db2.gz AOMPZZLFJUGQCI-DLBZAZTESA-N 1 0 378.270 2.504 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H](CNC(=O)CNC(=O)c2sc3ccccc3c2Cl)C1 ZINC000566972907 564351761 /nfs/dbraw/zinc/35/17/61/564351761.db2.gz DTOIREAEDHUODU-VXGBXAGGSA-N 1 0 379.913 2.918 20 0 GFADRO C[C@H](O)C[N@@H+]1CCN(C(=O)CCCc2ccc(Br)s2)[C@@H](C)C1 ZINC000476819079 564354005 /nfs/dbraw/zinc/35/40/05/564354005.db2.gz ACANPSKFVHJRTF-STQMWFEESA-N 1 0 389.359 2.747 20 0 GFADRO CC(C)(C)OC1CC([NH2+]CCNS(=O)(=O)c2ccc(F)cc2Cl)C1 ZINC000511038538 564355005 /nfs/dbraw/zinc/35/50/05/564355005.db2.gz RVQWFQDRNAUQNK-UHFFFAOYSA-N 1 0 378.897 2.693 20 0 GFADRO CC1(C)C[C@@H](O)CC[N@H+](C[C@@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000451815978 564355436 /nfs/dbraw/zinc/35/54/36/564355436.db2.gz WLJVFRQGOUPORL-LSDHHAIUSA-N 1 0 390.293 2.811 20 0 GFADRO Cn1nccc1[C@H]1C[C@@H]([NH2+]Cc2cnc3ccc(Br)cn23)CCO1 ZINC000567071309 564356557 /nfs/dbraw/zinc/35/65/57/564356557.db2.gz DVFZLXGYXSUGTL-XJKSGUPXSA-N 1 0 390.285 2.840 20 0 GFADRO COC(=O)c1ccc(Cl)c(CN2CCC[C@@H]2C(=O)N2CCSCC2)c1 ZINC000511119354 564357899 /nfs/dbraw/zinc/35/78/99/564357899.db2.gz GQAJEWTYDBGRIC-MRXNPFEDSA-N 1 0 382.913 2.666 20 0 GFADRO Cc1cc(Br)ccc1S(=O)(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000567110823 564358219 /nfs/dbraw/zinc/35/82/19/564358219.db2.gz ZJKYUBFTDQXEIG-JOCQHMNTSA-N 1 0 375.332 2.801 20 0 GFADRO Cc1ccc(-c2csc(CN3CCC[C@@H](S(=O)(=O)N(C)C)C3)n2)cc1 ZINC000511121949 564358755 /nfs/dbraw/zinc/35/87/55/564358755.db2.gz GMEQMYIDYSPVCD-MRXNPFEDSA-N 1 0 379.551 2.974 20 0 GFADRO CCC[N@H+](CC)CCNC(=O)NCc1cn2cc(Br)cc(C)c2n1 ZINC000543698520 564360653 /nfs/dbraw/zinc/36/06/53/564360653.db2.gz RQDLOWXUZROOAY-UHFFFAOYSA-N 1 0 396.333 2.936 20 0 GFADRO CN(CCC(=O)N1CCN(Cc2ccc(Cl)s2)CC1)c1cc[nH+]cc1 ZINC000543715921 564361013 /nfs/dbraw/zinc/36/10/13/564361013.db2.gz YZRJQKASKKNVDB-UHFFFAOYSA-N 1 0 378.929 2.967 20 0 GFADRO C[N@@H+]1C[C@@H]2CCCN(C(=O)NCc3nc4c(cccc4Br)[nH]3)[C@@H]2C1 ZINC000567230265 564362238 /nfs/dbraw/zinc/36/22/38/564362238.db2.gz LRZQWJYRWLOGIN-SMDDNHRTSA-N 1 0 392.301 2.561 20 0 GFADRO CC[C@H]([NH2+]C[C@H](O)COc1ccccc1C(F)(F)F)[C@@H](O)C(F)(F)F ZINC000567235604 564363290 /nfs/dbraw/zinc/36/32/90/564363290.db2.gz RBBFYNSCFQLTJI-XHVZSJERSA-N 1 0 375.309 2.737 20 0 GFADRO CS[C@H]1CN(S(=O)(=O)c2cc(C)c(F)cc2Cl)C[C@H]1[NH+]1CCCC1 ZINC000477117730 564365394 /nfs/dbraw/zinc/36/53/94/564365394.db2.gz JLYYJFYKPVMQSB-CABCVRRESA-N 1 0 392.949 2.988 20 0 GFADRO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCc1noc(-c2cccc(Br)c2)n1 ZINC000477144349 564367306 /nfs/dbraw/zinc/36/73/06/564367306.db2.gz SPESJJKZIQHCFJ-VXGBXAGGSA-N 1 0 393.285 2.988 20 0 GFADRO O=C(NCC[NH2+]C[C@H](O)COc1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000567377761 564369085 /nfs/dbraw/zinc/36/90/85/564369085.db2.gz BHQHXHJAAHEWHS-INIZCTEOSA-N 1 0 383.275 2.753 20 0 GFADRO COc1cc(Br)ccc1CCC(=O)N1CC[C@H]2CC[N@H+](C)C[C@H]21 ZINC000543940900 564369776 /nfs/dbraw/zinc/36/97/76/564369776.db2.gz BCBHYCNVFDJJNB-CZUORRHYSA-N 1 0 381.314 2.943 20 0 GFADRO CC[C@H](C)[N@H+](C)CCNC(=O)COc1ccc(Br)cc1C(C)=O ZINC000511461799 564373691 /nfs/dbraw/zinc/37/36/91/564373691.db2.gz OVSIFWLMDVMAGN-LBPRGKRZSA-N 1 0 385.302 2.877 20 0 GFADRO COCCNC(=O)[C@H]1CC[C@H](C)[N@H+](Cc2ccc(Br)s2)C1 ZINC000511503130 564374499 /nfs/dbraw/zinc/37/44/99/564374499.db2.gz GETCLMIXRMMHRR-RYUDHWBXSA-N 1 0 375.332 2.874 20 0 GFADRO Cc1ccsc1CNC(=O)C[NH2+][C@@](C)(CO)c1ccc(Br)cc1 ZINC000511622448 564377203 /nfs/dbraw/zinc/37/72/03/564377203.db2.gz KVVAQYCQNVXONW-KRWDZBQOSA-N 1 0 397.338 2.933 20 0 GFADRO O[C@H](CC[NH2+]Cc1ccc(Br)cc1N1CCOCC1)C(F)(F)F ZINC000567576506 564377401 /nfs/dbraw/zinc/37/74/01/564377401.db2.gz HPECNIGLHQDZFT-CQSZACIVSA-N 1 0 397.235 2.689 20 0 GFADRO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3C[N@@H+]2CC(=O)N(C)Cc1cc(Br)cs1 ZINC000511624243 564377928 /nfs/dbraw/zinc/37/79/28/564377928.db2.gz BOBHXLJRLCPFBG-GDGMELARSA-N 1 0 399.354 2.824 20 0 GFADRO O=C(NCCc1cc(Cl)ccc1Br)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O ZINC000567586090 564378432 /nfs/dbraw/zinc/37/84/32/564378432.db2.gz GNDKKXYAMBIGQE-YHWZYXNKSA-N 1 0 399.716 2.576 20 0 GFADRO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@@H+]2C[C@H](O)COc1ccc(Br)cc1 ZINC000511666619 564379497 /nfs/dbraw/zinc/37/94/97/564379497.db2.gz WGJAKTKKDPEUHR-FBGPFPDVSA-N 1 0 382.298 2.544 20 0 GFADRO CSC[C@H](O)C[NH2+][C@H](C)CCc1ccc(I)cc1 ZINC000567605902 564379593 /nfs/dbraw/zinc/37/95/93/564379593.db2.gz KEKSAIUKOJVDTR-BXUZGUMPSA-N 1 0 379.307 2.926 20 0 GFADRO CS(=O)(=O)N1CC[C@@H]([NH2+][C@H](Cc2cccnc2)c2cccc(Cl)c2)C1 ZINC000567619191 564380469 /nfs/dbraw/zinc/38/04/69/564380469.db2.gz QJQCQFQRQTZORI-QZTJIDSGSA-N 1 0 379.913 2.642 20 0 GFADRO CN(CCc1ccc(Br)cc1)C(=O)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000567640552 564381733 /nfs/dbraw/zinc/38/17/33/564381733.db2.gz YUEQAHMUEAOQPI-QGZVFWFLSA-N 1 0 391.313 2.885 20 0 GFADRO COc1ccc([C@@H](C)NCc2nnc(C3CC[NH2+]CC3)[nH]2)c(Br)c1 ZINC000567673752 564382606 /nfs/dbraw/zinc/38/26/06/564382606.db2.gz GFFUZRDTIZJDHW-LLVKDONJSA-N 1 0 394.317 2.894 20 0 GFADRO COCCN1CC[C@H]([NH2+]CC2(c3cccc(Br)c3)CCOCC2)C1 ZINC000544352512 564383856 /nfs/dbraw/zinc/38/38/56/564383856.db2.gz HXEGXVPBJKLHLJ-SFHVURJKSA-N 1 0 397.357 2.808 20 0 GFADRO COC[C@@H]1CCCC[N@@H+]1C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000452038588 564386174 /nfs/dbraw/zinc/38/61/74/564386174.db2.gz MXOHLGLTMRJURD-LSDHHAIUSA-N 1 0 376.266 2.829 20 0 GFADRO CC[C@H]([NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1)[C@H](O)C(C)C ZINC000567734681 564386457 /nfs/dbraw/zinc/38/64/57/564386457.db2.gz UEQDGTQHLLLSMD-VNQPRFMTSA-N 1 0 378.282 2.713 20 0 GFADRO O=C(N1CCCC1)[C@@]1(O)CCC[N@H+](CCCc2ccccc2Br)C1 ZINC000452086866 564389804 /nfs/dbraw/zinc/38/98/04/564389804.db2.gz BEPYUGQQZXFAHI-LJQANCHMSA-N 1 0 395.341 2.831 20 0 GFADRO CC(C)(C[NH+]1CCCC1)NS(=O)(=O)c1ccc(OCC(F)(F)F)cc1 ZINC000452080800 564390029 /nfs/dbraw/zinc/39/00/29/564390029.db2.gz HOAOAGZPFOCXBU-UHFFFAOYSA-N 1 0 380.432 2.780 20 0 GFADRO O=C([C@@H]1COc2ccc(Br)cc21)N1CCC2(CC[NH2+]CC2)CC1 ZINC000477944196 564391334 /nfs/dbraw/zinc/39/13/34/564391334.db2.gz KOIHNIKNVFQHDX-OAHLLOKOSA-N 1 0 379.298 2.917 20 0 GFADRO CC[N@@H+]1CCC[C@@H](CNC(=O)[C@H](C)NC(=O)c2cccc(Cl)c2Cl)C1 ZINC000512106426 564392291 /nfs/dbraw/zinc/39/22/91/564392291.db2.gz OOZSXHJAFQHJJW-STQMWFEESA-N 1 0 386.323 2.960 20 0 GFADRO COC(=O)c1c(NC(=O)C[NH2+][C@@H]2CSC[C@@H]2C)sc2c1CC[C@H](C)C2 ZINC000512209451 564394555 /nfs/dbraw/zinc/39/45/55/564394555.db2.gz BJCWQNZPSGGBHO-GMXVVIOVSA-N 1 0 382.551 2.939 20 0 GFADRO C[C@@H]1CN(C(=O)C[NH2+][C@@H](CCO)c2ccc(Cl)c(Cl)c2)C[C@H](C)O1 ZINC000512185549 564394925 /nfs/dbraw/zinc/39/49/25/564394925.db2.gz JYZRVKKJTGRFMH-OZVIIMIRSA-N 1 0 375.296 2.642 20 0 GFADRO CC(C)C[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2ccc(Br)o2)C1 ZINC000544715044 564395654 /nfs/dbraw/zinc/39/56/54/564395654.db2.gz ZKUGVPOEVZGPBV-LBPRGKRZSA-N 1 0 379.320 2.688 20 0 GFADRO C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+]1CC[C@H](CCCO)C1 ZINC000452134837 564395932 /nfs/dbraw/zinc/39/59/32/564395932.db2.gz VHYWLMGWYMPIMT-CABCVRRESA-N 1 0 383.330 2.890 20 0 GFADRO C[C@@H]1CN(C(=O)c2cc3c(c(Br)c2)OCO3)CC[N@@H+](C2CC2)C1 ZINC000452170046 564397617 /nfs/dbraw/zinc/39/76/17/564397617.db2.gz JTCJWOGNTXRLAP-NSHDSACASA-N 1 0 381.270 2.734 20 0 GFADRO Cc1cc(Br)cn2cc(CCNC(=O)C[NH+]3[C@H](C)CC[C@H]3C)nc12 ZINC000544771915 564398328 /nfs/dbraw/zinc/39/83/28/564398328.db2.gz VRBAHHRJQGVWAR-ZIAGYGMSSA-N 1 0 393.329 2.937 20 0 GFADRO Cc1cc(Br)cn2cc(CCNC(=O)C[NH+]3[C@@H](C)CC[C@@H]3C)nc12 ZINC000544771913 564398560 /nfs/dbraw/zinc/39/85/60/564398560.db2.gz VRBAHHRJQGVWAR-KBPBESRZSA-N 1 0 393.329 2.937 20 0 GFADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)N[C@H]1CC[C@H](O)CC1 ZINC000512406467 564400330 /nfs/dbraw/zinc/40/03/30/564400330.db2.gz QDIRRCVPLVIVLL-QAQDUYKDSA-N 1 0 398.345 2.826 20 0 GFADRO Cn1cc(Br)c(C(=O)NC[C@@H](C[NH+](C)C)c2ccc(Cl)cc2)n1 ZINC000568039089 564401065 /nfs/dbraw/zinc/40/10/65/564401065.db2.gz XMUFBBBGTZJGPG-LBPRGKRZSA-N 1 0 399.720 2.911 20 0 GFADRO C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)N[C@@H](C)C[NH+](C)C)CC1 ZINC000512432030 564401340 /nfs/dbraw/zinc/40/13/40/564401340.db2.gz MJTYOYHHTYHKMJ-LSDHHAIUSA-N 1 0 397.361 2.787 20 0 GFADRO C[C@H]([NH3+])[C@H](C)NC(=O)c1ccc(I)c(Br)c1 ZINC000568087171 564404392 /nfs/dbraw/zinc/40/43/92/564404392.db2.gz UCTHJCMQDCGJGQ-BQBZGAKWSA-N 1 0 397.054 2.519 20 0 GFADRO Cc1cc(Br)cc2c(C(=O)NC[C@@]3(O)C[NH+]4CCC3CC4)coc21 ZINC000568106799 564405540 /nfs/dbraw/zinc/40/55/40/564405540.db2.gz WQGQQECFOFSHKS-GOSISDBHSA-N 1 0 393.281 2.690 20 0 GFADRO O=C(NC[C@H]1CCC[N@H+]1CCCO)c1cc2c(cccc2Br)[nH]1 ZINC000452344008 564406698 /nfs/dbraw/zinc/40/66/98/564406698.db2.gz BXVUFLTXRLWSPT-GFCCVEGCSA-N 1 0 380.286 2.507 20 0 GFADRO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)Cc1cc[nH]c(=O)c1Br ZINC000452346162 564406743 /nfs/dbraw/zinc/40/67/43/564406743.db2.gz UULOMOCJACAQON-AWEZNQCLSA-N 1 0 384.318 2.719 20 0 GFADRO O=C(NC[C@@H]1CCC[N@H+]1CCCO)c1cc2cc(Br)ccc2o1 ZINC000452347030 564406900 /nfs/dbraw/zinc/40/69/00/564406900.db2.gz HSIBTQZKQUVLCR-AWEZNQCLSA-N 1 0 381.270 2.772 20 0 GFADRO CC1CC[NH+](C[C@H](O)CNC(=O)c2ccc(Cl)c(Br)c2)CC1 ZINC000512627975 564407589 /nfs/dbraw/zinc/40/75/89/564407589.db2.gz CCLMWXOOTMIIOJ-CYBMUJFWSA-N 1 0 389.721 2.925 20 0 GFADRO C[C@@H]1[C@H]([N@H+](C)CCO)CCN1C(=O)c1cc2c(Br)cccc2cn1 ZINC000452355992 564407872 /nfs/dbraw/zinc/40/78/72/564407872.db2.gz OVVAGGFNICUXIW-SJKOYZFVSA-N 1 0 392.297 2.524 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)[C@@H](C)[NH+]1CC(C)C1 ZINC000568192112 564407902 /nfs/dbraw/zinc/40/79/02/564407902.db2.gz CCGKKWXWJYKGOW-CYBMUJFWSA-N 1 0 382.302 2.543 20 0 GFADRO O=C(NC[C@@H]1CCC[N@H+]1CCCO)c1ccc(Br)c(Cl)c1 ZINC000452374162 564409925 /nfs/dbraw/zinc/40/99/25/564409925.db2.gz WKSNMIABWYXQOU-LBPRGKRZSA-N 1 0 375.694 2.679 20 0 GFADRO O=C(NC[C@@H]1CCC[N@H+]1CCCO)c1ccc(Cl)cc1Br ZINC000452376082 564410544 /nfs/dbraw/zinc/41/05/44/564410544.db2.gz YRTZGWOOPVSRDX-LBPRGKRZSA-N 1 0 375.694 2.679 20 0 GFADRO C[N@@H+]1CC[C@](O)(CNC(=O)Nc2ccc(C(F)(F)F)cc2Br)C1 ZINC000545170909 564410997 /nfs/dbraw/zinc/41/09/97/564410997.db2.gz AKPSMLRIZJMEJH-ZDUSSCGKSA-N 1 0 396.207 2.656 20 0 GFADRO CCCn1c(=O)c2c(nc1SC[C@@H](O)C[N@H+](C)CC)sc1c2CCC1 ZINC000568247264 564411195 /nfs/dbraw/zinc/41/11/95/564411195.db2.gz HDWAKTIUKVOIMC-LBPRGKRZSA-N 1 0 381.567 2.761 20 0 GFADRO Cc1ccc(CCC(=O)NC[C@@H]2CCCC[N@@H+]2CCO)c(Br)c1 ZINC000452381190 564411324 /nfs/dbraw/zinc/41/13/24/564411324.db2.gz VIXVKVJZQJGXLP-INIZCTEOSA-N 1 0 383.330 2.653 20 0 GFADRO C[C@@H](Oc1ccc(Cl)c(Cl)c1)C(=O)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000452378733 564411785 /nfs/dbraw/zinc/41/17/85/564411785.db2.gz XOJXCOKDVZCWAN-OLZOCXBDSA-N 1 0 375.296 2.724 20 0 GFADRO O[C@H](COc1cc(F)cc(Br)c1)C[N@@H+]1CC[C@@H](COC(F)F)C1 ZINC000512829117 564412408 /nfs/dbraw/zinc/41/24/08/564412408.db2.gz SUGWKPITKAWQLR-MFKMUULPSA-N 1 0 398.219 2.889 20 0 GFADRO CS(=O)(=O)N[C@H]1CCCC[C@H]1C[NH2+]Cc1ccc(OC(F)(F)F)cc1 ZINC000512849354 564413442 /nfs/dbraw/zinc/41/34/42/564413442.db2.gz DHZDKNGCPZKFFM-ZFWWWQNUSA-N 1 0 380.432 2.783 20 0 GFADRO CC[N@H+](CC(=O)NCc1c(Br)cncc1Br)C1CC1 ZINC000452407656 564414573 /nfs/dbraw/zinc/41/45/73/564414573.db2.gz MBGFJLJTVRNRDQ-UHFFFAOYSA-N 1 0 391.107 2.707 20 0 GFADRO C[C@@H]1CC[C@@H]([NH2+]CCCNS(=O)(=O)c2ccccc2Br)C1 ZINC000512880058 564415332 /nfs/dbraw/zinc/41/53/32/564415332.db2.gz OKGGQMBWWXQEPC-CHWSQXEVSA-N 1 0 375.332 2.896 20 0 GFADRO CS(=O)(=O)N1CCCC[C@H]1C[NH2+]Cc1cccc(OCC(F)(F)F)c1 ZINC000513001899 564418073 /nfs/dbraw/zinc/41/80/73/564418073.db2.gz PCHDMVPRPYSTPO-AWEZNQCLSA-N 1 0 380.432 2.531 20 0 GFADRO Cc1cc(Cl)ccc1S(=O)(=O)NCC[NH2+]C[C@H](C)CC1CCOCC1 ZINC000513012004 564418199 /nfs/dbraw/zinc/41/81/99/564418199.db2.gz LKQOZYANAOKGCE-CQSZACIVSA-N 1 0 388.961 2.969 20 0 GFADRO C[C@@H](NS(=O)(=O)c1ccc(Br)o1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000545369359 564420960 /nfs/dbraw/zinc/42/09/60/564420960.db2.gz CCBOTAPTMZCZBD-NEPJUHHUSA-N 1 0 391.331 2.973 20 0 GFADRO COC(=O)C[C@](C)([NH2+]C[C@H](O)CSC)c1ccc(Br)cc1 ZINC000513122049 564421040 /nfs/dbraw/zinc/42/10/40/564421040.db2.gz LDCJLWIQVFESJY-ZFWWWQNUSA-N 1 0 376.316 2.541 20 0 GFADRO Cc1nnc([C@H](C)NC(=O)NCC2([NH+]3CCSCC3)CCCCC2)s1 ZINC000545400074 564421730 /nfs/dbraw/zinc/42/17/30/564421730.db2.gz IURQRJMTUSWZJU-ZDUSSCGKSA-N 1 0 383.587 2.958 20 0 GFADRO COC(=O)c1cc(Cl)ccc1S(=O)(=O)NC[C@@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000513143464 564422289 /nfs/dbraw/zinc/42/22/89/564422289.db2.gz NLIVZHURIQAAFP-QWHCGFSZSA-N 1 0 388.917 2.668 20 0 GFADRO CC(C)(C)[C@H]([NH3+])C(=O)NCc1cc(Cl)cc(I)c1 ZINC000568513837 564422320 /nfs/dbraw/zinc/42/23/20/564422320.db2.gz OGHAPKBLBUMVAF-LLVKDONJSA-N 1 0 380.657 2.934 20 0 GFADRO CC[NH+](CC)CCNC(=O)NCCc1cn2cc(Br)cc(C)c2n1 ZINC000545448191 564423562 /nfs/dbraw/zinc/42/35/62/564423562.db2.gz MKNLXTKQRWPIQP-UHFFFAOYSA-N 1 0 396.333 2.589 20 0 GFADRO CS(=O)(=O)N1CCC[C@@H]([NH2+][C@H]2CCCc3cc(Br)ccc32)C1 ZINC000479075726 564423788 /nfs/dbraw/zinc/42/37/88/564423788.db2.gz YBLZYTYMFYJFTO-ZBFHGGJFSA-N 1 0 387.343 2.840 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCCCn2cc(Br)cn2)C[C@H]1C ZINC000513603195 564433777 /nfs/dbraw/zinc/43/37/77/564433777.db2.gz NCVIMZJEUDKFNK-UKRRQHHQSA-N 1 0 386.338 2.550 20 0 GFADRO C[C@@H](C[NH+]1CCOCC1)C(=O)N1CC[C@@H](c2cccc(Br)c2)C1 ZINC000452847573 564433940 /nfs/dbraw/zinc/43/39/40/564433940.db2.gz NKFPCMLIIGFVJZ-GOEBONIOSA-N 1 0 381.314 2.733 20 0 GFADRO CC[NH+](CC)[C@@H]1CCN(C(=O)COc2ccc(Br)cc2C(C)=O)C1 ZINC000513616936 564434757 /nfs/dbraw/zinc/43/47/57/564434757.db2.gz JCYXQQVVINUTEW-OAHLLOKOSA-N 1 0 397.313 2.973 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)C(=O)NCCC[NH+]1CCCCC1 ZINC000479318029 564435730 /nfs/dbraw/zinc/43/57/30/564435730.db2.gz MLOJSPSCJVXEHM-UHFFFAOYSA-N 1 0 396.329 2.942 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)C(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000479328432 564436341 /nfs/dbraw/zinc/43/63/41/564436341.db2.gz XCHXVENOANTBHL-ZDUSSCGKSA-N 1 0 396.329 2.941 20 0 GFADRO C[C@@H](CCc1ccsc1)[NH2+]C1CCN(S(=O)(=O)C2CCOCC2)CC1 ZINC000545908626 564436874 /nfs/dbraw/zinc/43/68/74/564436874.db2.gz BRNWBQAJYIMRCM-HNNXBMFYSA-N 1 0 386.583 2.632 20 0 GFADRO C[C@@H](Cn1cc(Br)cn1)Nc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000546005487 564440329 /nfs/dbraw/zinc/44/03/29/564440329.db2.gz RZPCKLYZEBCNTD-HNNXBMFYSA-N 1 0 392.345 2.894 20 0 GFADRO CCS(=O)(=O)c1c(Cl)cccc1C[NH2+][C@@H]1CCOC2(CCOCC2)C1 ZINC000479456576 564440778 /nfs/dbraw/zinc/44/07/78/564440778.db2.gz QAJHYTWKIMMYDY-OAHLLOKOSA-N 1 0 387.929 2.951 20 0 GFADRO C[C@H]1COCC[N@@H+]1C1CCN(CC(=O)N(C)Cc2ccc(Cl)s2)CC1 ZINC000568997853 564444254 /nfs/dbraw/zinc/44/42/54/564444254.db2.gz OCIMPZDHWBGPIC-AWEZNQCLSA-N 1 0 385.961 2.545 20 0 GFADRO O=C1NC2(CCCC2)C(=O)N1CC[NH2+]Cc1cc(Br)ccc1F ZINC000479622232 564445538 /nfs/dbraw/zinc/44/55/38/564445538.db2.gz ZCYJDEPNICWZGW-UHFFFAOYSA-N 1 0 384.249 2.542 20 0 GFADRO Cc1cc(Br)cc(C)c1CNC(=O)NCCCC[NH+]1CCOCC1 ZINC000514118915 564446146 /nfs/dbraw/zinc/44/61/46/564446146.db2.gz OQDOACAOBNBOTK-UHFFFAOYSA-N 1 0 398.345 2.978 20 0 GFADRO C[C@@H]([NH2+]CCN1CCOC[C@@H]1C)c1ccc(F)c(I)c1 ZINC000453111210 564446876 /nfs/dbraw/zinc/44/68/76/564446876.db2.gz RDJZKMZPBYKAIF-NWDGAFQWSA-N 1 0 392.256 2.802 20 0 GFADRO CN1CCN(C(=O)CC[N@@H+]2CCC[C@@H]2c2ccc(Br)s2)CC1 ZINC000514239790 564448249 /nfs/dbraw/zinc/44/82/49/564448249.db2.gz RVQZPYTXBGXGCG-CYBMUJFWSA-N 1 0 386.359 2.812 20 0 GFADRO C[NH+](C)CC(C)(C)CNC(=O)[C@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000514493953 564448423 /nfs/dbraw/zinc/44/84/23/564448423.db2.gz SZZSXMQMBWBUNY-ZDUSSCGKSA-N 1 0 396.329 2.506 20 0 GFADRO O=C(N1CCN([C@H]2CC[NH2+]C2)CC1)C1(c2ccc(Cl)c(Cl)c2)CCC1 ZINC000569101230 564449235 /nfs/dbraw/zinc/44/92/35/564449235.db2.gz CPROFXRBCXVFJU-HNNXBMFYSA-N 1 0 382.335 2.921 20 0 GFADRO CN(C)C(=O)[C@@H]1CC[C@H](C[NH2+][C@@H](Cc2ccccc2Br)C2CC2)O1 ZINC000453159784 564449231 /nfs/dbraw/zinc/44/92/31/564449231.db2.gz FYZYXOMYSDNIMZ-NJAFHUGGSA-N 1 0 395.341 2.996 20 0 GFADRO C[C@H]([NH2+]C1CCN(C(=O)C2CC2)CC1)C(=O)Nc1ccc(Br)cc1 ZINC000514707582 564454837 /nfs/dbraw/zinc/45/48/37/564454837.db2.gz MXRZRPPEVULGJZ-LBPRGKRZSA-N 1 0 394.313 2.767 20 0 GFADRO COc1ccc(Br)cc1C[C@@H](CO)C[NH2+][C@@H](C)c1ccncn1 ZINC000453393438 564455984 /nfs/dbraw/zinc/45/59/84/564455984.db2.gz ZKSRPPTZMVFDTR-QWHCGFSZSA-N 1 0 380.286 2.750 20 0 GFADRO C[C@H]([NH2+]C[C@H](CO)Cc1ccc(F)c(Br)c1)C(C)(C)n1cncn1 ZINC000453392295 564456235 /nfs/dbraw/zinc/45/62/35/564456235.db2.gz YURVGFUUKIOUNP-GXTWGEPZSA-N 1 0 399.308 2.744 20 0 GFADRO Cn1nccc1[C@@H]1C[C@@H]([NH2+]Cc2cc3c(cc2Br)OCO3)CCO1 ZINC000514776486 564457648 /nfs/dbraw/zinc/45/76/48/564457648.db2.gz FUNIUWYSLSCRQM-WFASDCNBSA-N 1 0 394.269 2.921 20 0 GFADRO Cc1cc(Br)c(C[NH2+]C2CCN(S(=O)(=O)C3CC3)CC2)s1 ZINC000453574015 564457891 /nfs/dbraw/zinc/45/78/91/564457891.db2.gz PZCNFNKYGNWRKZ-UHFFFAOYSA-N 1 0 393.372 2.865 20 0 GFADRO COc1ccc(Br)cc1CNC(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000569333435 564459004 /nfs/dbraw/zinc/45/90/04/564459004.db2.gz SUQNHJYRTVMONE-KGLIPLIRSA-N 1 0 396.329 2.989 20 0 GFADRO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000569325733 564459095 /nfs/dbraw/zinc/45/90/95/564459095.db2.gz NWOOYXPGMIBSSD-MRXNPFEDSA-N 1 0 384.307 2.649 20 0 GFADRO Cc1cc(Br)cc(CNC[C@]2(O)CC[N@@H+](C)C2)c1OC(F)F ZINC000546567260 564459372 /nfs/dbraw/zinc/45/93/72/564459372.db2.gz ZNEQEXAGJRPWFL-OAHLLOKOSA-N 1 0 379.245 2.515 20 0 GFADRO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1cc(Cl)cc(Br)c1 ZINC000453641531 564461140 /nfs/dbraw/zinc/46/11/40/564461140.db2.gz IULOWGVDKKBPJB-JTQLQIEISA-N 1 0 390.709 2.888 20 0 GFADRO Cc1cc(S(=O)(=O)NCC[NH2+][C@@H]2CCC[C@H]([C@H]3CCOC3)C2)c(C)s1 ZINC000546654460 564463545 /nfs/dbraw/zinc/46/35/45/564463545.db2.gz PJCKZJKIBZSUAE-YESZJQIVSA-N 1 0 386.583 2.828 20 0 GFADRO [NH3+][C@H]1CCc2ncc(NC(=O)Cc3ccc(Br)c(F)c3)cc2C1 ZINC000569449098 564464176 /nfs/dbraw/zinc/46/41/76/564464176.db2.gz NGBDPZSZPWKGLQ-LBPRGKRZSA-N 1 0 378.245 2.980 20 0 GFADRO O=S1(=O)CC[C@H]([NH2+][C@H]2CCN3CCCC[C@H]23)c2cc(Br)ccc21 ZINC000480228513 564465332 /nfs/dbraw/zinc/46/53/32/564465332.db2.gz OHLXTIHGQJJWJH-HRCADAONSA-N 1 0 399.354 2.884 20 0 GFADRO CC(C)C[C@H](CO)[NH2+][C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000480226134 564465341 /nfs/dbraw/zinc/46/53/41/564465341.db2.gz HCOYCHKJXSDURQ-TZMCWYRMSA-N 1 0 376.316 2.664 20 0 GFADRO C[C@@H](Oc1ccccc1Br)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000480276703 564467163 /nfs/dbraw/zinc/46/71/63/564467163.db2.gz HZFNIDHUOVQSML-MLGOLLRUSA-N 1 0 387.343 2.770 20 0 GFADRO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)C[NH2+][C@H](CO)C1CCCC1 ZINC000515095857 564469468 /nfs/dbraw/zinc/46/94/68/564469468.db2.gz QDUMCORERWEPQF-CQSZACIVSA-N 1 0 389.279 2.859 20 0 GFADRO O=C(NC[C@H]1C[NH2+]CCCO1)N1CCc2sccc2[C@H]1c1cccs1 ZINC000569579180 564469714 /nfs/dbraw/zinc/46/97/14/564469714.db2.gz WDQHTECTSDFFNC-DYVFJYSZSA-N 1 0 377.535 2.845 20 0 GFADRO C[C@]1(CO)CCC[N@@H+]1CCCOc1cccc(I)c1 ZINC000546809973 564470035 /nfs/dbraw/zinc/47/00/35/564470035.db2.gz IBAQDBFIKXCPER-OAHLLOKOSA-N 1 0 375.250 2.907 20 0 GFADRO Cc1cc(Br)cn2cc(CNC(=O)NCC[NH+]3CCCCC3)nc12 ZINC000546827463 564470791 /nfs/dbraw/zinc/47/07/91/564470791.db2.gz GGIAAQXFEKOIDB-UHFFFAOYSA-N 1 0 394.317 2.690 20 0 GFADRO O[C@H](C[NH2+][C@H]1CCN(CC(F)(F)F)C1)COc1c(Cl)cccc1Cl ZINC000515234196 564473269 /nfs/dbraw/zinc/47/32/69/564473269.db2.gz BCFOORIWOOOAJJ-WDEREUQCSA-N 1 0 387.229 2.959 20 0 GFADRO CN1CCO[C@@H](CSCc2csc(CC(=O)Nc3ccccc3)n2)C1 ZINC000569693141 564474298 /nfs/dbraw/zinc/47/42/98/564474298.db2.gz VYHPMGZLJWMTGX-MRXNPFEDSA-N 1 0 377.535 2.888 20 0 GFADRO C[C@H]1CN(C(=O)Nc2ccc(Br)cc2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000480460541 564474497 /nfs/dbraw/zinc/47/44/97/564474497.db2.gz HOSCBQDRUXRPCM-YOEHRIQHSA-N 1 0 395.345 2.939 20 0 GFADRO C[N@H+](CCCOc1ccc2c(c1)OCO2)CCn1cc(Br)cn1 ZINC000569764567 564477433 /nfs/dbraw/zinc/47/74/33/564477433.db2.gz RRGNWCMPYWMARC-UHFFFAOYSA-N 1 0 382.258 2.775 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CNC(=O)N[C@H](C)C[N@@H+](C)C(C)C ZINC000569776633 564477511 /nfs/dbraw/zinc/47/75/11/564477511.db2.gz SQWGXQJTEGXOSM-CYBMUJFWSA-N 1 0 399.333 2.724 20 0 GFADRO O[C@H](C[NH2+]CCCOC1CCOCC1)COc1cc(Cl)ccc1Cl ZINC000515414335 564478502 /nfs/dbraw/zinc/47/85/02/564478502.db2.gz HOGJVRDWPSKEDJ-CQSZACIVSA-N 1 0 378.296 2.908 20 0 GFADRO Brc1cccc(Cc2noc(CN3CCC[C@@]4(CC[NH2+]C4)C3)n2)c1 ZINC000569795178 564478744 /nfs/dbraw/zinc/47/87/44/564478744.db2.gz HTZMEHGPYFVRGU-SFHVURJKSA-N 1 0 391.313 2.998 20 0 GFADRO CCOC(=O)c1cc2cc(S(=O)(=O)N[C@H](C)CC[NH+](C)C)ccc2s1 ZINC000480662471 564481652 /nfs/dbraw/zinc/48/16/52/564481652.db2.gz UHAZIQVXFIBROK-GFCCVEGCSA-N 1 0 384.523 2.697 20 0 GFADRO Cc1ccc(C(=O)NCC[NH2+]Cc2cn3ccc(Br)cc3n2)cc1 ZINC000569891608 564482915 /nfs/dbraw/zinc/48/29/15/564482915.db2.gz ANLRZRAXPQQKBR-UHFFFAOYSA-N 1 0 387.281 2.925 20 0 GFADRO CC[NH+](CC)CCS(=O)(=O)N(C)CC(=O)Nc1c(Cl)cccc1Cl ZINC000569892338 564482965 /nfs/dbraw/zinc/48/29/65/564482965.db2.gz ZOTXECHUSLTSKF-UHFFFAOYSA-N 1 0 396.340 2.535 20 0 GFADRO CN1CCN(C(=O)N[C@@H](c2ccsc2)c2ccc(Cl)cc2)[C@@H](C[NH3+])C1 ZINC000515619424 564483626 /nfs/dbraw/zinc/48/36/26/564483626.db2.gz ILIHMZONBBFFGT-DLBZAZTESA-N 1 0 378.929 2.775 20 0 GFADRO CC(C)(C[NH2+]C[C@H](O)COC1CCOCC1)c1ccccc1Br ZINC000569921425 564483830 /nfs/dbraw/zinc/48/38/30/564483830.db2.gz RVLNZAQTAWAINM-AWEZNQCLSA-N 1 0 386.330 2.873 20 0 GFADRO CSc1ccc(OC[C@H](O)C[NH2+]C2CCN(c3nccs3)CC2)cc1 ZINC000569920266 564483912 /nfs/dbraw/zinc/48/39/12/564483912.db2.gz CPOGDEMQKXYZJG-OAHLLOKOSA-N 1 0 379.551 2.863 20 0 GFADRO C[NH+]1CCC(CNC(=O)NCc2cc(Br)cc3c2OCC3)CC1 ZINC000547325807 564484173 /nfs/dbraw/zinc/48/41/73/564484173.db2.gz FSDRFRZHOCFJPZ-UHFFFAOYSA-N 1 0 382.302 2.525 20 0 GFADRO C[C@@H](CC(=O)NC[C@@]1(O)C[NH+]2CCC1CC2)c1ccc(F)c(Br)c1 ZINC000569942038 564485213 /nfs/dbraw/zinc/48/52/13/564485213.db2.gz YCFKENLWQTZXFQ-KPZWWZAWSA-N 1 0 399.304 2.655 20 0 GFADRO C[C@@H](CNS(=O)(=O)c1ccc(Br)cc1)[N@@H+]1CCC[C@H](C)C1 ZINC000515737592 564486643 /nfs/dbraw/zinc/48/66/43/564486643.db2.gz VRCMQVGDUZUKFG-STQMWFEESA-N 1 0 375.332 2.848 20 0 GFADRO C[C@@H](CCc1ccc(Br)cc1)NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC000515866726 564489722 /nfs/dbraw/zinc/48/97/22/564489722.db2.gz JYPPBMLLLCRDBB-AWEZNQCLSA-N 1 0 393.329 2.958 20 0 GFADRO O=C(Nc1ccc(Br)cn1)C1CC[NH+](Cc2ncccc2O)CC1 ZINC000570128193 564492678 /nfs/dbraw/zinc/49/26/78/564492678.db2.gz YXVRHCDMAQCHCH-UHFFFAOYSA-N 1 0 391.269 2.795 20 0 GFADRO C[C@@H](C(=O)Nc1cc(Br)ccc1N(C)CC[NH+](C)C)N1CC(C)C1 ZINC000516088042 564492918 /nfs/dbraw/zinc/49/29/18/564492918.db2.gz HTIHCECJLBNANC-AWEZNQCLSA-N 1 0 397.361 2.726 20 0 GFADRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N(C)Cc1ccc(Cl)s1 ZINC000480919757 564495676 /nfs/dbraw/zinc/49/56/76/564495676.db2.gz ZABNAFSBFLIALK-MJBXVCDLSA-N 1 0 385.961 2.843 20 0 GFADRO Cc1cccc(NC(=O)C(=O)NCC[N@@H+]2CCCC2(C)C)c1Br ZINC000454069779 564495955 /nfs/dbraw/zinc/49/59/55/564495955.db2.gz NXYBAUAUIHPQIW-UHFFFAOYSA-N 1 0 382.302 2.687 20 0 GFADRO CN1CCN(c2cc[nH+]cc2NC(=O)c2cccc(Br)c2)CC1 ZINC000516209376 564497156 /nfs/dbraw/zinc/49/71/56/564497156.db2.gz HCSQATBRACUFAL-UHFFFAOYSA-N 1 0 375.270 2.848 20 0 GFADRO Cc1cc(Br)ccc1S(=O)(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000570279078 564498949 /nfs/dbraw/zinc/49/89/49/564498949.db2.gz DSOUXDYUPROBPS-UONOGXRCSA-N 1 0 387.343 2.768 20 0 GFADRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)Nc1ccc(Br)cc1 ZINC000516287932 564499143 /nfs/dbraw/zinc/49/91/43/564499143.db2.gz ZIXSMAMHAVAIDM-MJBXVCDLSA-N 1 0 396.329 2.870 20 0 GFADRO COC[C@]1(C(=O)Nc2ccc(Sc3nnc(C)s3)cc2C)CC[NH2+]C1 ZINC000570321464 564501121 /nfs/dbraw/zinc/50/11/21/564501121.db2.gz GQRBGUHRKSPOCD-KRWDZBQOSA-N 1 0 378.523 2.871 20 0 GFADRO CN(C)c1cc(NS(=O)(=O)c2ccc(OCC(F)(F)F)cc2)cc[nH+]1 ZINC000481058336 564501571 /nfs/dbraw/zinc/50/15/71/564501571.db2.gz XGRBZRHXSZPAHD-UHFFFAOYSA-N 1 0 375.372 2.890 20 0 GFADRO Cc1cc(F)c(Br)cc1S(=O)(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000481057896 564501732 /nfs/dbraw/zinc/50/17/32/564501732.db2.gz KHVVHVFQXQPCRO-GHMZBOCLSA-N 1 0 379.295 2.658 20 0 GFADRO C[NH+](C)[C@@]1(CNS(=O)(=O)c2ccc(CC(F)(F)F)cc2)CCSC1 ZINC000481066648 564502211 /nfs/dbraw/zinc/50/22/11/564502211.db2.gz CILAXCYFXZVEHP-CQSZACIVSA-N 1 0 382.473 2.507 20 0 GFADRO C[C@H](NC(=O)[C@@H]1CC(=O)Nc2ccc(Br)cc21)C1=CC[N@H+](C)CC1 ZINC000570496510 564507861 /nfs/dbraw/zinc/50/78/61/564507861.db2.gz VDUGWEODDDXWNI-XHDPSFHLSA-N 1 0 392.297 2.642 20 0 GFADRO Cc1ncsc1C[NH2+]C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000570508689 564508950 /nfs/dbraw/zinc/50/89/50/564508950.db2.gz GPNYQRASHKTMOP-LBPRGKRZSA-N 1 0 375.263 2.883 20 0 GFADRO C[NH+](C)[C@]1(CNC(=O)NCc2cc(F)cc(Br)c2)CCSC1 ZINC000481312523 564509369 /nfs/dbraw/zinc/50/93/69/564509369.db2.gz UOBLKWOQPCEDRY-HNNXBMFYSA-N 1 0 390.322 2.825 20 0 GFADRO Cc1cc(Br)ccc1CC(=O)N1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000570514932 564509735 /nfs/dbraw/zinc/50/97/35/564509735.db2.gz VZJCKRHQUBIGPP-OAHLLOKOSA-N 1 0 381.314 2.514 20 0 GFADRO C[NH+](C)[C@]1(CNS(=O)(=O)c2cc(Cl)sc2Cl)CCSC1 ZINC000481342101 564510287 /nfs/dbraw/zinc/51/02/87/564510287.db2.gz IRRZHVIHYSYAOO-NSHDSACASA-N 1 0 375.368 2.771 20 0 GFADRO CN(C)CC[N@H+](C)CCCN(C)C(=O)CCc1cc(Br)cs1 ZINC000570547518 564511789 /nfs/dbraw/zinc/51/17/89/564511789.db2.gz HGXYWYMVBUMJJA-UHFFFAOYSA-N 1 0 390.391 2.785 20 0 GFADRO O=C1NC2(CCCC2)C(=O)N1CC[NH2+][C@@H]1CCc2c1cccc2Br ZINC000547830782 564512212 /nfs/dbraw/zinc/51/22/12/564512212.db2.gz ZQMZNHBJHDGSQN-OAHLLOKOSA-N 1 0 392.297 2.891 20 0 GFADRO [NH3+][C@H]1CCc2ncc(NC(=O)c3ccccc3I)cc2C1 ZINC000516861899 564514065 /nfs/dbraw/zinc/51/40/65/564514065.db2.gz VAQSHLHILMQEIS-NSHDSACASA-N 1 0 393.228 2.755 20 0 GFADRO C[NH+](C)[C@]1(CNC(=O)NCCOc2ccc(F)c(Cl)c2)CCSC1 ZINC000454600786 564515875 /nfs/dbraw/zinc/51/58/75/564515875.db2.gz JOXIMUTUQHSUJQ-INIZCTEOSA-N 1 0 375.897 2.594 20 0 GFADRO CCOC(=O)c1sc2nc(C)cc(C)c2c1NC(=O)CSCC[NH2+]C ZINC000570679814 564517301 /nfs/dbraw/zinc/51/73/01/564517301.db2.gz AOPSVBVTAWTCGF-UHFFFAOYSA-N 1 0 381.523 2.981 20 0 GFADRO Cc1nc(CNC(=O)NC[C@H]2CC[N@@H+](CC(C)C)C2)sc1Br ZINC000454658843 564517892 /nfs/dbraw/zinc/51/78/92/564517892.db2.gz HCWVQRKETJPBEK-GFCCVEGCSA-N 1 0 389.363 2.991 20 0 GFADRO CC[C@@H]([NH2+][C@H](CO)CC(F)(F)F)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000481670131 564518823 /nfs/dbraw/zinc/51/88/23/564518823.db2.gz WEPADTUDLCVAHB-CMPLNLGQSA-N 1 0 388.839 2.602 20 0 GFADRO OC[C@H](C[NH2+]Cc1cccc(Br)c1OC(F)F)[C@H]1CCOC1 ZINC000481816837 564524803 /nfs/dbraw/zinc/52/48/03/564524803.db2.gz RAFVHNTTYGODBJ-RYUDHWBXSA-N 1 0 380.229 2.785 20 0 GFADRO CC[C@@H](Cc1ccccc1Br)[N@H+](C)CCCS(=O)(=O)NC ZINC000481845384 564526018 /nfs/dbraw/zinc/52/60/18/564526018.db2.gz WBMBIMAEEUFFSY-AWEZNQCLSA-N 1 0 377.348 2.641 20 0 GFADRO C[NH+](C)CCc1ccc(C(=O)NCCCCn2cc(Br)cn2)cc1 ZINC000570940381 564528884 /nfs/dbraw/zinc/52/88/84/564528884.db2.gz GSFRZQAQUSNFOC-UHFFFAOYSA-N 1 0 393.329 2.960 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H](CNS(=O)(=O)c2cc(Br)ccc2Cl)C1 ZINC000570964235 564529619 /nfs/dbraw/zinc/52/96/19/564529619.db2.gz IPRHCSJTPZDVQS-MWLCHTKSSA-N 1 0 381.723 2.898 20 0 GFADRO Cc1nn(C)c(C[NH2+]C[C@@H](CO)Cc2ccc(F)c(F)c2)c1Br ZINC000517278637 564529825 /nfs/dbraw/zinc/52/98/25/564529825.db2.gz UKOKCBNKNCXQOU-LBPRGKRZSA-N 1 0 388.256 2.710 20 0 GFADRO O=C(C[NH+]1CCC(COc2cc(Cl)cc(Cl)c2)CC1)N1CCOCC1 ZINC000570984605 564530604 /nfs/dbraw/zinc/53/06/04/564530604.db2.gz IMNWSLQRFUXMRL-UHFFFAOYSA-N 1 0 387.307 2.943 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC000570984729 564530655 /nfs/dbraw/zinc/53/06/55/564530655.db2.gz YUACHLRWSBYSRW-UHFFFAOYSA-N 1 0 396.329 2.934 20 0 GFADRO COC(=O)CC1([NH2+]C[C@H](O)COc2ccc(Br)cc2)CCCC1 ZINC000548099359 564531348 /nfs/dbraw/zinc/53/13/48/564531348.db2.gz BICSDXIOIHFMKE-AWEZNQCLSA-N 1 0 386.286 2.654 20 0 GFADRO C[C@@H]1CC[N@H+](CCNC(=O)C(=O)Nc2cc(Cl)cc(C(F)(F)F)c2)C1 ZINC000548130074 564531879 /nfs/dbraw/zinc/53/18/79/564531879.db2.gz VWGIOKDXFDENAK-SNVBAGLBSA-N 1 0 377.794 2.755 20 0 GFADRO O=C(NCCc1c[nH]c2cc(Cl)cc(Cl)c12)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000482053584 564532537 /nfs/dbraw/zinc/53/25/37/564532537.db2.gz JHRSUQDVTZRPBP-INIZCTEOSA-N 1 0 381.307 2.523 20 0 GFADRO COCC[N@@H+]1CC[C@@H](NC(=O)c2oc3ccc(Br)cc3c2C)C1 ZINC000517404885 564532836 /nfs/dbraw/zinc/53/28/36/564532836.db2.gz WOCNMVLEXHCIST-CYBMUJFWSA-N 1 0 381.270 2.954 20 0 GFADRO CN(C)CC[N@H+](C)CCCNC(=O)Nc1cc(F)c(Br)c(F)c1 ZINC000455076977 564535447 /nfs/dbraw/zinc/53/54/47/564535447.db2.gz ONILJNVHMRVVTO-UHFFFAOYSA-N 1 0 393.276 2.732 20 0 GFADRO O[C@H](C[NH2+][C@@H]1CCO[C@H]1C1CC1)COc1ccc(Cl)cc1Br ZINC000571115199 564536237 /nfs/dbraw/zinc/53/62/37/564536237.db2.gz XVRIJUTXXOFDMT-XPKDYRNWSA-N 1 0 390.705 2.999 20 0 GFADRO COC[C@H](Cc1ccccc1)NC(=O)[C@](C)([NH3+])c1ccc(Br)cc1 ZINC000571163765 564539315 /nfs/dbraw/zinc/53/93/15/564539315.db2.gz JJJHRCMHTNVHIJ-PKOBYXMFSA-N 1 0 391.309 2.997 20 0 GFADRO CN1CCN(c2cc[nH+]cc2NC(=O)c2ccc(Br)cc2)CC1 ZINC000517650836 564539263 /nfs/dbraw/zinc/53/92/63/564539263.db2.gz NTPIZPIPSJMELL-UHFFFAOYSA-N 1 0 375.270 2.848 20 0 GFADRO COc1cc(C[NH2+]C[C@H](O)COc2ccc(Br)cc2)ccc1O ZINC000517733047 564541169 /nfs/dbraw/zinc/54/11/69/564541169.db2.gz WSXDYFHLLAHALR-AWEZNQCLSA-N 1 0 382.254 2.693 20 0 GFADRO COCC[N@@H+]1CC[C@@H](NC(=O)N[C@H](c2ccc(Cl)cc2)C(F)(F)F)C1 ZINC000482331363 564541242 /nfs/dbraw/zinc/54/12/42/564541242.db2.gz JXAZVGQQQMWCQL-ZIAGYGMSSA-N 1 0 379.810 2.963 20 0 GFADRO C[C@H](C(=O)N(C)Cc1ccc(Br)cc1Cl)N1CCOCC1 ZINC000482364680 564541640 /nfs/dbraw/zinc/54/16/40/564541640.db2.gz ZVVRCSGPVHEGPO-LLVKDONJSA-N 1 0 375.694 2.782 20 0 GFADRO CCOC(=O)COc1c(Br)cc(C)cc1C[NH2+]CCC(C)(C)O ZINC000482494200 564543724 /nfs/dbraw/zinc/54/37/24/564543724.db2.gz CJWAOMYCRAIYRW-UHFFFAOYSA-N 1 0 388.302 2.950 20 0 GFADRO Cc1nc(CNC(=O)N(C)CC2([NH+](C)C)CCC2)sc1Br ZINC000455231367 564543987 /nfs/dbraw/zinc/54/39/87/564543987.db2.gz NGWOPYSIDWPDJI-UHFFFAOYSA-N 1 0 375.336 2.840 20 0 GFADRO Cc1nc(CNC(=O)N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)sc1Br ZINC000455236625 564544155 /nfs/dbraw/zinc/54/41/55/564544155.db2.gz SSKZKYMNMOCUIE-PWSUYJOCSA-N 1 0 387.347 2.982 20 0 GFADRO Cc1cc(F)c(Br)cc1NC(=O)NC[C@H]1CCC[N@@H+]1CCCO ZINC000455245172 564544623 /nfs/dbraw/zinc/54/46/23/564544623.db2.gz NWCBGSPJAXCGNR-GFCCVEGCSA-N 1 0 388.281 2.865 20 0 GFADRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNS(=O)(=O)c1ccc(Br)cc1 ZINC000518091548 564546138 /nfs/dbraw/zinc/54/61/38/564546138.db2.gz NNILKIFGIFDVNN-CHWSQXEVSA-N 1 0 375.332 2.990 20 0 GFADRO NC(=O)[C@H]1CCCN1CCC[NH2+]CC1=Cc2cc(Cl)cc(Cl)c2OC1 ZINC000518286790 564549848 /nfs/dbraw/zinc/54/98/48/564549848.db2.gz LHAULDVKDUSJIM-MRXNPFEDSA-N 1 0 384.307 2.699 20 0 GFADRO COC(=O)CCNC(=O)C[NH2+][C@](C)(CC(C)C)c1cccc(Br)c1 ZINC000483063452 564557609 /nfs/dbraw/zinc/55/76/09/564557609.db2.gz ZIDHZAWASIFYIM-GOSISDBHSA-N 1 0 399.329 2.979 20 0 GFADRO C[C@@H]1[C@H](NC(=O)Nc2ccn(-c3ccc(Br)cc3)n2)CCC[N@@H+]1C ZINC000455605308 564559492 /nfs/dbraw/zinc/55/94/92/564559492.db2.gz ALPURYZGWGLQBO-IUODEOHRSA-N 1 0 392.301 3.239 20 0 GFADRO COC(=O)c1sc(NC(=O)[C@@H]2C[NH2+]C[C@H]2c2ccc(Cl)cc2)nc1C ZINC000571653231 564560682 /nfs/dbraw/zinc/56/06/82/564560682.db2.gz KSTYESVFJJEXQJ-QWHCGFSZSA-N 1 0 379.869 2.833 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CC[NH2+]C[C@H](O)CC(F)(F)F ZINC000571671215 564561489 /nfs/dbraw/zinc/56/14/89/564561489.db2.gz WQCGJDUEYUPBTL-LLVKDONJSA-N 1 0 383.208 2.989 20 0 GFADRO O=S(=O)(c1cc(F)ccc1Br)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000518770335 564561991 /nfs/dbraw/zinc/56/19/91/564561991.db2.gz QBUPXEFIZUCQCK-LBPRGKRZSA-N 1 0 391.306 2.598 20 0 GFADRO C[N@@H+]1CCC[C@@H]1CNC(=O)N1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000518878795 564563326 /nfs/dbraw/zinc/56/33/26/564563326.db2.gz YBTOEFNOTIBPTB-HZPDHXFCSA-N 1 0 382.302 2.626 20 0 GFADRO CC1(C)C[NH2+]CC[C@H]1NC(=O)Nc1ccnn1-c1ccc(Br)cn1 ZINC000571771355 564566146 /nfs/dbraw/zinc/56/61/46/564566146.db2.gz DASQGAAWWQONQA-GFCCVEGCSA-N 1 0 393.289 2.539 20 0 GFADRO COCC(=O)N1CCC([NH2+][C@@H](C)Cc2ccc(F)cc2Br)CC1 ZINC000519025250 564568360 /nfs/dbraw/zinc/56/83/60/564568360.db2.gz NGLAAKFCYUFMSN-LBPRGKRZSA-N 1 0 387.293 2.746 20 0 GFADRO Cc1c([C@H]2OCC[C@@H]2[NH2+]CC(=O)Nc2ccc(Br)cc2)cnn1C ZINC000548664864 564569374 /nfs/dbraw/zinc/56/93/74/564569374.db2.gz YPXYNUZFNSPOAU-DOTOQJQBSA-N 1 0 393.285 2.549 20 0 GFADRO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N1CCc2sccc2[C@@H]1c1cccs1 ZINC000571881876 564570925 /nfs/dbraw/zinc/57/09/25/564570925.db2.gz FVKBQQRTIUYOIJ-HWWQOWPSSA-N 1 0 377.535 2.526 20 0 GFADRO CN([C@@H](C[NH3+])C1CC1)S(=O)(=O)Cc1cc(Cl)ccc1Br ZINC000571881149 564570984 /nfs/dbraw/zinc/57/09/84/564570984.db2.gz MDVOILLWTBMGAH-ZDUSSCGKSA-N 1 0 381.723 2.601 20 0 GFADRO CC[NH+]1CCC(NC(=O)NC[C@H](C)Oc2ccccc2Br)CC1 ZINC000483697994 564572719 /nfs/dbraw/zinc/57/27/19/564572719.db2.gz FXLLCDDGPYEGOC-ZDUSSCGKSA-N 1 0 384.318 3.000 20 0 GFADRO COc1ccc(C[N@@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)c(Br)c1 ZINC000571925111 564572810 /nfs/dbraw/zinc/57/28/10/564572810.db2.gz VMQXBHZXVYFMIE-OAHLLOKOSA-N 1 0 397.313 2.529 20 0 GFADRO O=S1(=O)CC[C@@H]([NH2+][C@H](CO)C2CCCC2)c2cc(Br)ccc21 ZINC000571963743 564574711 /nfs/dbraw/zinc/57/47/11/564574711.db2.gz SJTLLQQCVBDTSS-HUUCEWRRSA-N 1 0 388.327 2.808 20 0 GFADRO C[C@H](CNC(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1)Oc1ccccc1Br ZINC000483791497 564574773 /nfs/dbraw/zinc/57/47/73/564574773.db2.gz SXWCEQHXDJWRIG-MGPQQGTHSA-N 1 0 384.318 2.998 20 0 GFADRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)NCc1c(Br)cncc1Br ZINC000519395711 564576985 /nfs/dbraw/zinc/57/69/85/564576985.db2.gz ACQPMKAQHWOEAB-HTQZYQBOSA-N 1 0 394.111 2.532 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2cccc(Cl)c2Br)CC[N@@H+]1C ZINC000483891194 564577038 /nfs/dbraw/zinc/57/70/38/564577038.db2.gz AOEUVEKOIXEKAF-ZJUUUORDSA-N 1 0 388.693 2.640 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)C(=O)Nc2cccc(Cl)c2Br)CC[N@@H+]1C ZINC000483891189 564577311 /nfs/dbraw/zinc/57/73/11/564577311.db2.gz AOEUVEKOIXEKAF-NXEZZACHSA-N 1 0 388.693 2.640 20 0 GFADRO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1c(F)ccc(C)c1Br ZINC000483931202 564578019 /nfs/dbraw/zinc/57/80/19/564578019.db2.gz KREHVCAPEMTGER-NSHDSACASA-N 1 0 388.281 2.682 20 0 GFADRO C[NH+](C)CCOc1ccccc1CNS(=O)(=O)Cc1cccc(Cl)c1 ZINC000519535979 564580207 /nfs/dbraw/zinc/58/02/07/564580207.db2.gz BXDHVYNKRJBFDF-UHFFFAOYSA-N 1 0 382.913 2.900 20 0 GFADRO Cc1nc2cc(Cl)c(NC(=O)C(=O)N3C[C@H](C)[C@H]([NH+](C)C)C3)cc2s1 ZINC000484109761 564582363 /nfs/dbraw/zinc/58/23/63/564582363.db2.gz XSOMQTBPFFNSHN-LKFCYVNXSA-N 1 0 380.901 2.605 20 0 GFADRO O=C(NCCCC[N@H+]1CCC[C@H]1CO)[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000455988117 564582900 /nfs/dbraw/zinc/58/29/00/564582900.db2.gz LMMSOUULVACPGY-OKZBNKHCSA-N 1 0 395.341 2.906 20 0 GFADRO CCC[C@H](C)[C@H](CO)[NH2+]C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000519647082 564585569 /nfs/dbraw/zinc/58/55/69/564585569.db2.gz IEXKTPGXJFJLDQ-PJODQICGSA-N 1 0 378.282 2.715 20 0 GFADRO O=C(c1cnc(-c2ccsc2)s1)N1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000572241968 564586345 /nfs/dbraw/zinc/58/63/45/564586345.db2.gz RNIRZGFJGKDOFO-KGLIPLIRSA-N 1 0 375.519 2.712 20 0 GFADRO O=C(N[C@@H](CC1CC1)c1cc(F)cc(Br)c1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000572347317 564590288 /nfs/dbraw/zinc/59/02/88/564590288.db2.gz FWMRSIWPVZYVLP-XUWVNRHRSA-N 1 0 382.277 2.946 20 0 GFADRO CCS(=O)(=O)NCCC[N@H+](C)Cc1ccc(Br)cc1Cl ZINC000484563773 564590947 /nfs/dbraw/zinc/59/09/47/564590947.db2.gz OGOBPZAGOMTIBL-UHFFFAOYSA-N 1 0 383.739 2.864 20 0 GFADRO O[C@H](C[NH2+]CCC1CC(O)C1)COc1ccc(Cl)cc1Br ZINC000572363719 564591075 /nfs/dbraw/zinc/59/10/75/564591075.db2.gz DZWKMPHROTYOMR-KGPNIALWSA-N 1 0 378.694 2.593 20 0 GFADRO CS(=O)(=O)N1CC[C@H]([NH2+][C@H]2CCCCc3cc(Br)ccc32)C1 ZINC000519826679 564592272 /nfs/dbraw/zinc/59/22/72/564592272.db2.gz LJBWVVCQKKRODD-HOCLYGCPSA-N 1 0 387.343 2.840 20 0 GFADRO CN(C1(C[NH3+])CCC1)S(=O)(=O)Cc1ccc(Cl)cc1Br ZINC000572403567 564593469 /nfs/dbraw/zinc/59/34/69/564593469.db2.gz QXBBAHWHXRQDEY-UHFFFAOYSA-N 1 0 381.723 2.746 20 0 GFADRO [NH3+]CCC1CCN(C(=O)C(=O)N[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)CC1 ZINC000572489753 564596803 /nfs/dbraw/zinc/59/68/03/564596803.db2.gz CDXRJJDRGZIZPL-XJKSGUPXSA-N 1 0 384.307 2.553 20 0 GFADRO C[C@@H]1Cc2ccc(Br)cc2CN1C(=O)c1ccn(CC[NH+](C)C)n1 ZINC000572495385 564596864 /nfs/dbraw/zinc/59/68/64/564596864.db2.gz OVTIUEFVDSCSAQ-CYBMUJFWSA-N 1 0 391.313 2.794 20 0 GFADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N(C)c1cc(Cl)ccc1C ZINC000549546139 564597734 /nfs/dbraw/zinc/59/77/34/564597734.db2.gz SVJSOCOJUYMZFS-UHFFFAOYSA-N 1 0 384.933 2.848 20 0 GFADRO C[NH+](C)C(C)(C)CNC(=O)C(=O)Nc1ccc(-c2ccc(Cl)s2)nc1 ZINC000549603681 564600332 /nfs/dbraw/zinc/60/03/32/564600332.db2.gz BATMDZBMJHVEEH-UHFFFAOYSA-N 1 0 380.901 2.858 20 0 GFADRO O=C(NCCOCC(F)(F)F)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000520297857 564601002 /nfs/dbraw/zinc/60/10/02/564601002.db2.gz UBXRNFQFXLOEBN-UHFFFAOYSA-N 1 0 379.448 2.838 20 0 GFADRO C[C@@H]1OCC[C@@H]1C(=O)Nc1cc(Br)ccc1N1CC[N@H+](C)C[C@H]1C ZINC000456369234 564603149 /nfs/dbraw/zinc/60/31/49/564603149.db2.gz LQSUKVAQZOFANY-IPYPFGDCSA-N 1 0 396.329 2.953 20 0 GFADRO C[C@@H]1CCO[C@@H]1C(=O)Nc1cc(Br)ccc1N1CC[N@H+](C)C[C@H]1C ZINC000456373073 564603209 /nfs/dbraw/zinc/60/32/09/564603209.db2.gz OYDYMAXDSUBOBS-XNJGSVPQSA-N 1 0 396.329 2.953 20 0 GFADRO O=C(C[C@@H]1CSCC[NH2+]1)N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000520396815 564603746 /nfs/dbraw/zinc/60/37/46/564603746.db2.gz NCEPULGAKGPFGU-GHMZBOCLSA-N 1 0 379.473 2.963 20 0 GFADRO C[N@@H+]1CCCN(CCC[NH2+][C@H]2CCc3cccc(Br)c3C2)CC1 ZINC000549733432 564603949 /nfs/dbraw/zinc/60/39/49/564603949.db2.gz FCQABCNKKQSUSE-KRWDZBQOSA-N 1 0 380.374 2.924 20 0 GFADRO CC(C)[C@@H](CO)C(=O)Nc1cc(Br)ccc1N1CC[N@H+](C)C[C@@H]1C ZINC000456381233 564604833 /nfs/dbraw/zinc/60/48/33/564604833.db2.gz WUHBTDZFWNMOHT-DZGCQCFKSA-N 1 0 398.345 2.792 20 0 GFADRO C[NH+](C)CCOC1CCN(C(=O)Cc2csc(-c3cccs3)n2)CC1 ZINC000485114719 564607542 /nfs/dbraw/zinc/60/75/42/564607542.db2.gz DDWOYLMYHJWMKN-UHFFFAOYSA-N 1 0 379.551 2.983 20 0 GFADRO O=C(N[C@@H]1COc2cc(F)c(Br)cc21)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000520547937 564607635 /nfs/dbraw/zinc/60/76/35/564607635.db2.gz YABIYFPLJJYKRU-ISTVAULSSA-N 1 0 384.249 2.558 20 0 GFADRO C[N@@H+]1CCC[C@H](CNC(=O)C(=O)NCc2cccs2)[C@H]1c1cccs1 ZINC000549943357 564610965 /nfs/dbraw/zinc/61/09/65/564610965.db2.gz WQPHBMDZODUYCN-CJNGLKHVSA-N 1 0 377.535 2.625 20 0 GFADRO Cc1sc(NC(=O)CNC(=O)[C@H]2CCC[NH2+]2)nc1-c1cccc(Cl)c1 ZINC000572843042 564612483 /nfs/dbraw/zinc/61/24/83/564612483.db2.gz HZSIVNSYVRAEMX-CYBMUJFWSA-N 1 0 378.885 2.579 20 0 GFADRO CC[N@H+](C)C[C@H]1CCN(C(=O)NCc2cn3cc(Br)ccc3n2)C1 ZINC000485396961 564614221 /nfs/dbraw/zinc/61/42/21/564614221.db2.gz PFZDJNIATBTXRB-CYBMUJFWSA-N 1 0 394.317 2.580 20 0 GFADRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)C(=O)NCCSc2ccc(Cl)cc2)C1 ZINC000550098361 564614836 /nfs/dbraw/zinc/61/48/36/564614836.db2.gz RPQPUMNVPBDCKF-GJZGRUSLSA-N 1 0 383.945 2.537 20 0 GFADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)NCc2cn3cc(Br)ccc3n2)C1 ZINC000485396962 564615010 /nfs/dbraw/zinc/61/50/10/564615010.db2.gz PFZDJNIATBTXRB-ZDUSSCGKSA-N 1 0 394.317 2.580 20 0 GFADRO CO[C@@H]1CCN(C(=O)CCCc2ccc(Br)s2)[C@@H](C[NH3+])C1 ZINC000572952346 564617458 /nfs/dbraw/zinc/61/74/58/564617458.db2.gz HNUZQLMHHMNBBK-VXGBXAGGSA-N 1 0 375.332 2.798 20 0 GFADRO C[C@H]1CN(C(=O)Nc2ccc(I)cc2F)CC[C@H]1[NH3+] ZINC000573021696 564619675 /nfs/dbraw/zinc/61/96/75/564619675.db2.gz ICKYPVFGKZDRAN-GZMMTYOYSA-N 1 0 377.201 2.631 20 0 GFADRO C[C@H]1CCC[N@H+](CCNC(=O)C(=O)N(C)Cc2c(Cl)cccc2Cl)C1 ZINC000573099061 564622278 /nfs/dbraw/zinc/62/22/78/564622278.db2.gz ZDARNGUNGILMLA-ZDUSSCGKSA-N 1 0 386.323 2.800 20 0 GFADRO C[C@@H]1Cc2cc(S(=O)(=O)N3CCC([C@@H]4CC[NH2+]C4)CC3)cc(Cl)c2O1 ZINC000573119696 564623758 /nfs/dbraw/zinc/62/37/58/564623758.db2.gz JWWKEKLXMUEDJA-TZMCWYRMSA-N 1 0 384.929 2.674 20 0 GFADRO COc1cc([C@@H](C)[NH2+][C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)ccn1 ZINC000573137745 564624130 /nfs/dbraw/zinc/62/41/30/564624130.db2.gz XHLZMHPEVRRGDT-UKRRQHHQSA-N 1 0 381.523 2.656 20 0 GFADRO CC(C)[C@@H]([NH2+]C[C@@H](O)COc1ccc(Br)cc1)C1(CO)CCC1 ZINC000550461616 564625055 /nfs/dbraw/zinc/62/50/55/564625055.db2.gz PFUQWHBVLYXZGM-NVXWUHKLSA-N 1 0 386.330 2.966 20 0 GFADRO O=C(N[C@H]1CCc2c1cccc2Br)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000485775582 564625237 /nfs/dbraw/zinc/62/52/37/564625237.db2.gz MKJLVSUNTLKSKB-HZMBPMFUSA-N 1 0 375.270 2.666 20 0 GFADRO C[NH+](C)CCn1ccc(C(=O)NCc2cc(Cl)cc(Br)c2)n1 ZINC000521368867 564625874 /nfs/dbraw/zinc/62/58/74/564625874.db2.gz VBIMDAMYGVQFTM-UHFFFAOYSA-N 1 0 385.693 2.791 20 0 GFADRO CC[C@@]1(C(=O)NCc2noc(-c3cccc(Br)c3)n2)CCC[NH2+]1 ZINC000573208000 564628440 /nfs/dbraw/zinc/62/84/40/564628440.db2.gz YXYLXXXCITYLHF-INIZCTEOSA-N 1 0 379.258 2.648 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCN(C(=O)NCCNc2ncc(C(F)(F)F)cc2Cl)C1 ZINC000521587442 564631348 /nfs/dbraw/zinc/63/13/48/564631348.db2.gz WYIAHXCBAUHHGR-UWVGGRQHSA-N 1 0 379.814 2.544 20 0 GFADRO COc1cc(C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@H]32)cc(Br)c1OC ZINC000550792961 564631665 /nfs/dbraw/zinc/63/16/65/564631665.db2.gz FSROKBDQTMITFT-SMDDNHRTSA-N 1 0 383.286 2.633 20 0 GFADRO O=S(=O)(NCC1CC[NH+](Cc2ccccc2Cl)CC1)c1cscn1 ZINC000521618838 564632289 /nfs/dbraw/zinc/63/22/89/564632289.db2.gz XEEPVGFNZKTCNI-UHFFFAOYSA-N 1 0 385.942 2.987 20 0 GFADRO C[C@H](CNC(=O)CCS(=O)(=O)c1ccc(Cl)cc1)[N@@H+]1CCCC[C@H]1C ZINC000485945142 564632777 /nfs/dbraw/zinc/63/27/77/564632777.db2.gz NLUIUYQWTXDOCX-HUUCEWRRSA-N 1 0 386.945 2.883 20 0 GFADRO COc1cc(C[NH2+]C[C@H](O)COc2ccccc2)cc(Br)c1OC ZINC000550840470 564633473 /nfs/dbraw/zinc/63/34/73/564633473.db2.gz NXBWNUSEEYJGQU-AWEZNQCLSA-N 1 0 396.281 2.996 20 0 GFADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)COc1cc(Cl)c(Cl)cc1Cl ZINC000521665043 564633946 /nfs/dbraw/zinc/63/39/46/564633946.db2.gz AKQAMOUJWDLRIS-NSHDSACASA-N 1 0 394.730 2.778 20 0 GFADRO COCC[N@@H+]1CC[C@H](NC(=O)CCCOc2ccc(Cl)cc2Cl)C1 ZINC000521676942 564634078 /nfs/dbraw/zinc/63/40/78/564634078.db2.gz JESOFBKKNDDFQR-AWEZNQCLSA-N 1 0 375.296 2.989 20 0 GFADRO C[C@H](Cc1ccc(Cl)cc1Cl)C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000521677001 564634155 /nfs/dbraw/zinc/63/41/55/564634155.db2.gz FSWMGZPHFPECCA-WBMJQRKESA-N 1 0 386.323 2.628 20 0 GFADRO O=S(=O)(c1cccc(OC(F)(F)F)c1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000521690496 564634440 /nfs/dbraw/zinc/63/44/40/564634440.db2.gz LXVIKEFFEZAAIU-ZDUSSCGKSA-N 1 0 378.416 2.834 20 0 GFADRO COc1ccc(C[NH2+]C[C@@H](O)COc2c(Cl)cccc2Cl)c(OC)n1 ZINC000573359697 564634858 /nfs/dbraw/zinc/63/48/58/564634858.db2.gz AGCMPBAUVRKYHA-GFCCVEGCSA-N 1 0 387.263 2.935 20 0 GFADRO COc1cc(Br)c(C[NH2+]C[C@@H]2CC(=O)N(C3CC3)C2)c(OC)c1 ZINC000573378578 564635571 /nfs/dbraw/zinc/63/55/71/564635571.db2.gz NQSIGSYIMWPJKG-NSHDSACASA-N 1 0 383.286 2.567 20 0 GFADRO CC(C)[N@@H+]1CCCC[C@@H]1CN(C)CC(=O)Nc1ccc(Br)cn1 ZINC000551092756 564636948 /nfs/dbraw/zinc/63/69/48/564636948.db2.gz CKDXLXRYGBHXOI-OAHLLOKOSA-N 1 0 383.334 2.977 20 0 GFADRO C[NH+](C)CC(C)(C)CNS(=O)(=O)c1cccc(Br)c1Cl ZINC000551085436 564637225 /nfs/dbraw/zinc/63/72/25/564637225.db2.gz WODUSENHPNBFSY-UHFFFAOYSA-N 1 0 383.739 2.969 20 0 GFADRO O=C(NCCOc1ccc(Br)cc1)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000573428443 564637408 /nfs/dbraw/zinc/63/74/08/564637408.db2.gz IBGRCQHDGYFBGB-GZBFAFLISA-N 1 0 382.302 2.515 20 0 GFADRO COCCO[C@@H]1COCC[C@H]1[NH2+][C@H](C)c1ccc(OC)c(Br)c1 ZINC000486061126 564637498 /nfs/dbraw/zinc/63/74/98/564637498.db2.gz IUMWQMFHWLMNNG-SRCQZFHVSA-N 1 0 388.302 2.929 20 0 GFADRO CC[NH+]1CCN(CC(C)(C)NC(=O)c2cccc(C)c2Br)CC1 ZINC000456908972 564638481 /nfs/dbraw/zinc/63/84/81/564638481.db2.gz YBSGCJJFSCAAKZ-UHFFFAOYSA-N 1 0 382.346 2.903 20 0 GFADRO CC(C)N(C)C[C@@H](C)[NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000573480974 564640131 /nfs/dbraw/zinc/64/01/31/564640131.db2.gz YYWWGCOMULVAHJ-IUODEOHRSA-N 1 0 377.298 2.646 20 0 GFADRO Cc1cc(Cl)ccc1S(=O)(=O)NCC[NH2+][C@@H]1COc2ccccc2C1 ZINC000551198994 564641068 /nfs/dbraw/zinc/64/10/68/564641068.db2.gz TYYOZTPZLLFZFU-INIZCTEOSA-N 1 0 380.897 2.520 20 0 GFADRO CC[C@H](NC(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1)c1ccc(Cl)s1 ZINC000551219301 564642670 /nfs/dbraw/zinc/64/26/70/564642670.db2.gz UPJCDFLMSAZSLE-ZBEGNZNMSA-N 1 0 389.974 2.522 20 0 GFADRO O=C1CC[C@@H]([NH2+]Cc2cn(-c3ccc(Cl)cc3Cl)nn2)[C@@H](C2CC2)N1 ZINC000551270290 564644674 /nfs/dbraw/zinc/64/46/74/564644674.db2.gz FQCMJBIHBXEGKK-RHSMWYFYSA-N 1 0 380.279 2.721 20 0 GFADRO COc1ccc(Cl)cc1S(=O)(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000486249092 564645092 /nfs/dbraw/zinc/64/50/92/564645092.db2.gz APWDKJBODVEIGK-MRXNPFEDSA-N 1 0 382.913 2.800 20 0 GFADRO C[C@H]([NH2+]CC(=O)Nc1ccc(I)cc1)[C@]1(C)CCCO1 ZINC000551306362 564645638 /nfs/dbraw/zinc/64/56/38/564645638.db2.gz LZQKHJSIBGDJEU-NHYWBVRUSA-N 1 0 388.249 2.777 20 0 GFADRO O=C(NCCOc1cccc(Br)c1)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000573621327 564647334 /nfs/dbraw/zinc/64/73/34/564647334.db2.gz OUHDJOLDLRHIGS-GZBFAFLISA-N 1 0 382.302 2.515 20 0 GFADRO C[C@@H]([NH2+]Cc1cccnc1N1CCOCC1)c1cncc(Br)c1 ZINC000573625471 564647369 /nfs/dbraw/zinc/64/73/69/564647369.db2.gz JTCBTQLKXJWRBF-CYBMUJFWSA-N 1 0 377.286 2.927 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)c1ncc(Br)cc1Br ZINC000573676163 564648641 /nfs/dbraw/zinc/64/86/41/564648641.db2.gz CEIINRYWCQPKOG-GZMMTYOYSA-N 1 0 391.107 2.949 20 0 GFADRO OC[C@]1([C@@H]([NH2+]C[C@H](O)COc2c(Cl)cccc2Cl)C2CC2)CCCO1 ZINC000573692775 564649984 /nfs/dbraw/zinc/64/99/84/564649984.db2.gz PQZRQZQXQFCZLT-KKXDTOCCSA-N 1 0 390.307 2.643 20 0 GFADRO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)c1cc(I)c[nH]1 ZINC000522414140 564651198 /nfs/dbraw/zinc/65/11/98/564651198.db2.gz COESXRNGIUFYBT-QWRGUYRKSA-N 1 0 375.254 2.612 20 0 GFADRO CC[N@@H+]1C[C@H](C)N(C(=O)[C@H]2CC(=O)Nc3ccc(Br)cc32)C[C@H]1C ZINC000486451716 564652291 /nfs/dbraw/zinc/65/22/91/564652291.db2.gz ORSAYKMIKWWXQE-XUJVJEKNSA-N 1 0 394.313 2.816 20 0 GFADRO O=C(C[NH2+]Cc1cccc(I)c1)NCCc1ccccc1 ZINC000551536336 564653536 /nfs/dbraw/zinc/65/35/36/564653536.db2.gz LHMXLBJLQJQTND-UHFFFAOYSA-N 1 0 394.256 2.740 20 0 GFADRO CN(CCn1cc(Br)cn1)C(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000573790479 564654368 /nfs/dbraw/zinc/65/43/68/564654368.db2.gz GZUNBXJXXZNGHY-MRXNPFEDSA-N 1 0 394.317 2.590 20 0 GFADRO CC(C)[NH2+]CCCNC(=O)C(=O)Nc1cc(F)ccc1SCC(F)F ZINC000573816956 564655207 /nfs/dbraw/zinc/65/52/07/564655207.db2.gz QNNGSIFZDDFNPJ-UHFFFAOYSA-N 1 0 377.432 2.626 20 0 GFADRO O=C(NC[C@@H]1C[NH2+]CCO1)N[C@H](c1ccc(Br)cc1)C1CCC1 ZINC000573820019 564656057 /nfs/dbraw/zinc/65/60/57/564656057.db2.gz TWAOFTJCGPQZBN-HOTGVXAUSA-N 1 0 382.302 2.578 20 0 GFADRO CC[NH+](CC)CCS(=O)(=O)N[C@H](C)Cc1cccc(Br)c1 ZINC000573847763 564657349 /nfs/dbraw/zinc/65/73/49/564657349.db2.gz YLDRZCZMWSABGP-CYBMUJFWSA-N 1 0 377.348 2.641 20 0 GFADRO CCOC(=O)[C@H](Cc1cc(Cl)cc(Cl)c1)NC(=O)[C@H]1C[N@H+](C)C[C@@H]1C ZINC000486611703 564658353 /nfs/dbraw/zinc/65/83/53/564658353.db2.gz RTGYYTSDGHPWLM-UVBJJODRSA-N 1 0 387.307 2.782 20 0 GFADRO C[C@@H]1[C@H]([NH3+])CCCN1C(=O)c1ncc(Br)cc1Br ZINC000457360844 564658388 /nfs/dbraw/zinc/65/83/88/564658388.db2.gz WFRFLQKNEJFUHB-GMSGAONNSA-N 1 0 377.080 2.558 20 0 GFADRO COc1ccc(Br)cc1C(=O)N1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000573953358 564661521 /nfs/dbraw/zinc/66/15/21/564661521.db2.gz ZMWILCKKEQSFMJ-WMLDXEAASA-N 1 0 397.313 2.816 20 0 GFADRO CC[N@H+](CCNC(=O)c1ccc(-n2cc(Br)cn2)cc1)C1CC1 ZINC000523201734 564663042 /nfs/dbraw/zinc/66/30/42/564663042.db2.gz NCWKVVFICXKLHH-UHFFFAOYSA-N 1 0 377.286 2.849 20 0 GFADRO COC(=O)c1ccc(C[NH2+][C@H]2CCN(CC(F)(F)F)C2)c(Br)c1 ZINC000551787490 564663518 /nfs/dbraw/zinc/66/35/18/564663518.db2.gz ROEXSVNMMAGNEN-LBPRGKRZSA-N 1 0 395.219 2.962 20 0 GFADRO C[C@@H]([NH2+]CC1(O)CCS(=O)(=O)CC1)c1cc(Cl)ccc1OC(F)F ZINC000551813646 564664152 /nfs/dbraw/zinc/66/41/52/564664152.db2.gz OFIFBTHMFVFMLT-SNVBAGLBSA-N 1 0 383.844 2.532 20 0 GFADRO C[N@@H+]1CCC[C@@H]1CNC(=O)N1CCO[C@@H](c2cccc(Br)c2)C1 ZINC000523331156 564664684 /nfs/dbraw/zinc/66/46/84/564664684.db2.gz JESLBQJKHRFUPR-HZPDHXFCSA-N 1 0 382.302 2.626 20 0 GFADRO C[C@H](NC(=O)N[C@@H](C[NH+](C)C)c1ccccc1)c1ncc(Br)cn1 ZINC000457526681 564664807 /nfs/dbraw/zinc/66/48/07/564664807.db2.gz KEYJWNHEYJRCOR-WFASDCNBSA-N 1 0 392.301 2.902 20 0 GFADRO O=C(NCc1n[nH]cc1Br)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000523385876 564665873 /nfs/dbraw/zinc/66/58/73/564665873.db2.gz AYRFOBGBCYGUBZ-CQSZACIVSA-N 1 0 392.301 2.636 20 0 GFADRO C[C@H](NC(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1)c1cccc(Br)c1 ZINC000457654974 564668123 /nfs/dbraw/zinc/66/81/23/564668123.db2.gz CAUOIOPICQMGQA-MJBXVCDLSA-N 1 0 384.318 2.607 20 0 GFADRO C[C@H](NC(=O)NC[C@@H]1CCC[N@@H+]1CCCO)c1cccc(Br)c1 ZINC000457658932 564668439 /nfs/dbraw/zinc/66/84/39/564668439.db2.gz FCMSTQRZFWFVHC-BBRMVZONSA-N 1 0 384.318 2.656 20 0 GFADRO C[N@@H+]1CCN(C(=O)c2c(O)cnc3c(Br)cccc32)C(C)(C)C1 ZINC000486895144 564670233 /nfs/dbraw/zinc/67/02/33/564670233.db2.gz ODBYIUNIIJWCCK-UHFFFAOYSA-N 1 0 378.270 2.869 20 0 GFADRO CC[NH+](CC)C[C@@H](C)NC(=O)c1cc(=O)c2cc(Br)ccc2[nH]1 ZINC000523662966 564670750 /nfs/dbraw/zinc/67/07/50/564670750.db2.gz IXHJHEXMTXYKKM-LLVKDONJSA-N 1 0 380.286 2.751 20 0 GFADRO C[C@H]1C[N@H+](C)[C@@H](C)CN1C(=O)c1c(O)cnc2c(Br)cccc21 ZINC000486946176 564670871 /nfs/dbraw/zinc/67/08/71/564670871.db2.gz YEFMQFKPLPYROX-QWRGUYRKSA-N 1 0 378.270 2.868 20 0 GFADRO CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)c1cc(Br)co1 ZINC000457736169 564671302 /nfs/dbraw/zinc/67/13/02/564671302.db2.gz MBFLGJFFWZOBMG-SFHVURJKSA-N 1 0 393.281 2.751 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(C(=O)N[C@@H]3CCOc4ccc(Br)cc43)C[C@@H]21 ZINC000457924704 564679851 /nfs/dbraw/zinc/67/98/51/564679851.db2.gz GAHDCRMFWPTBCB-DFBGVHRSSA-N 1 0 380.286 2.618 20 0 GFADRO CC[NH+]1CCC(N(C)C(=O)CCNC(=O)c2ccc(Br)cc2)CC1 ZINC000524346566 564680857 /nfs/dbraw/zinc/68/08/57/564680857.db2.gz ZIPCLOKFHBMGPJ-UHFFFAOYSA-N 1 0 396.329 2.512 20 0 GFADRO C[N@@H+]1CCC[C@@H](CCNC(=O)NCCOc2cccc(Br)c2)C1 ZINC000457961539 564681713 /nfs/dbraw/zinc/68/17/13/564681713.db2.gz ZIVGAQRZAYRZOG-AWEZNQCLSA-N 1 0 384.318 2.859 20 0 GFADRO O=C(c1ccc2c[nH+]cn2c1)N(CCO)Cc1cc(Br)cs1 ZINC000552202431 564681902 /nfs/dbraw/zinc/68/19/02/564681902.db2.gz WRBSSWVVJAUECS-UHFFFAOYSA-N 1 0 380.267 2.793 20 0 GFADRO O=C(CCCOc1ccc(Cl)cc1Cl)NC[C@]1(O)C[NH+]2CCC1CC2 ZINC000552207272 564682035 /nfs/dbraw/zinc/68/20/35/564682035.db2.gz IVUVEFOPQOWUGH-SFHVURJKSA-N 1 0 387.307 2.725 20 0 GFADRO O=C(NCC[C@H]1CC[NH2+]C1)N1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000574668076 564683341 /nfs/dbraw/zinc/68/33/41/564683341.db2.gz XNMYSYBDMHMLJB-CZUORRHYSA-N 1 0 382.302 2.532 20 0 GFADRO [NH3+]CCC1CCN(C(=O)c2ccc(I)c(F)c2)CC1 ZINC000574647336 564683399 /nfs/dbraw/zinc/68/33/99/564683399.db2.gz SMLJHUXPIRLCAB-UHFFFAOYSA-N 1 0 376.213 2.631 20 0 GFADRO C[C@@H]1CCC[N@H+](CCNC(=O)N(CCO)Cc2cccc(Br)c2)C1 ZINC000487356796 564684248 /nfs/dbraw/zinc/68/42/48/564684248.db2.gz AHDTXVXBBSFPLG-OAHLLOKOSA-N 1 0 398.345 2.685 20 0 GFADRO CC1CC[NH+](CCNC(=O)N(CCO)Cc2cccc(Br)c2)CC1 ZINC000487358597 564684555 /nfs/dbraw/zinc/68/45/55/564684555.db2.gz CHTQALRYKSIDCH-UHFFFAOYSA-N 1 0 398.345 2.685 20 0 GFADRO C[NH+](C)[C@H]1CCCN(C(=O)c2cc(F)ccc2I)C1 ZINC000552359378 564686920 /nfs/dbraw/zinc/68/69/20/564686920.db2.gz XOSHZVYBDBWWHQ-NSHDSACASA-N 1 0 376.213 2.597 20 0 GFADRO C[C@@H]1CC[N@H+](CCNC(=O)c2cnc(Sc3nccn3C)c(Cl)c2)C1 ZINC000524775530 564687096 /nfs/dbraw/zinc/68/70/96/564687096.db2.gz HYAHVPVLTWUPEB-GFCCVEGCSA-N 1 0 379.917 2.691 20 0 GFADRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)N(CCO)Cc2cccc(Br)c2)C1 ZINC000487411735 564687137 /nfs/dbraw/zinc/68/71/37/564687137.db2.gz PRIWTLYPNGJKGJ-IRXDYDNUSA-N 1 0 398.345 2.826 20 0 GFADRO C[C@@H](CC[NH+](C)C)NC(=O)NCCC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000458105574 564688491 /nfs/dbraw/zinc/68/84/91/564688491.db2.gz YZIDDDNWFIDLJQ-NSHDSACASA-N 1 0 375.300 2.961 20 0 GFADRO CCC[C@@H](C(=O)NC[C@@H](CO)Cc1cc(F)cc(Br)c1)[NH+](C)C ZINC000458149483 564691238 /nfs/dbraw/zinc/69/12/38/564691238.db2.gz PGWMSWANUNYRDT-BBRMVZONSA-N 1 0 389.309 2.586 20 0 GFADRO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)Nc1cc(Br)cc(C(=O)N2CCCC2)c1 ZINC000487567055 564691548 /nfs/dbraw/zinc/69/15/48/564691548.db2.gz CBTNBEFBZVEVLW-MLGOLLRUSA-N 1 0 394.313 2.821 20 0 GFADRO Cc1ccc(C[C@@H](CO)[NH2+]C[C@H](O)COc2ccc(Br)cc2)cc1 ZINC000575046275 564691738 /nfs/dbraw/zinc/69/17/38/564691738.db2.gz JFMWGGQUICPRFQ-ROUUACIJSA-N 1 0 394.309 2.690 20 0 GFADRO CN(C(=O)c1cc(F)ccc1I)[C@@H]1CCC[N@H+](C)C1 ZINC000525008806 564692322 /nfs/dbraw/zinc/69/23/22/564692322.db2.gz OZSFIWQATONFOP-LLVKDONJSA-N 1 0 376.213 2.597 20 0 GFADRO C[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000552523289 564694053 /nfs/dbraw/zinc/69/40/53/564694053.db2.gz CTVFZFGDNMGVAD-DOMZBBRYSA-N 1 0 386.323 2.593 20 0 GFADRO C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000525169851 564694079 /nfs/dbraw/zinc/69/40/79/564694079.db2.gz IKGFOGWNIYQWRM-GOEBONIOSA-N 1 0 380.330 2.606 20 0 GFADRO COc1ccc(CNC(=O)NCC[C@@H]2CCC[N@H+](C)C2)cc1Br ZINC000458232466 564694321 /nfs/dbraw/zinc/69/43/21/564694321.db2.gz SOWIWDOMBBURQY-ZDUSSCGKSA-N 1 0 384.318 2.989 20 0 GFADRO COCCN(Cc1sccc1Br)C(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC000487706863 564694730 /nfs/dbraw/zinc/69/47/30/564694730.db2.gz ICGYUPHLIPBECL-NEPJUHHUSA-N 1 0 375.332 2.683 20 0 GFADRO O=C(NCc1cc(Cl)ccc1Br)C1(n2cccn2)CC[NH2+]CC1 ZINC000575315753 564695334 /nfs/dbraw/zinc/69/53/34/564695334.db2.gz BMZFSEFGZOOFDF-UHFFFAOYSA-N 1 0 397.704 2.694 20 0 GFADRO O=C(N[C@@H]1CCc2c1cccc2Br)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000458241976 564695344 /nfs/dbraw/zinc/69/53/44/564695344.db2.gz ASOGMJXRVXCKEQ-SUMWQHHRSA-N 1 0 396.329 2.582 20 0 GFADRO C[C@H](NC(=O)N1C[C@H]([NH+]2CCCC2)C[C@H]1C)c1ncc(Br)cn1 ZINC000575241340 564695900 /nfs/dbraw/zinc/69/59/00/564695900.db2.gz PZMLNROZLLNALY-MBNYWOFBSA-N 1 0 382.306 2.568 20 0 GFADRO C[C@@H](CNC(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl)C[NH+](C)C ZINC000552578328 564696101 /nfs/dbraw/zinc/69/61/01/564696101.db2.gz DQIIALLBWWYOMM-LRDDRELGSA-N 1 0 386.323 2.912 20 0 GFADRO Cc1nc(C(=O)NCC[N@H+]2CC[C@@H](C)C2)nn1-c1c(Cl)cccc1Cl ZINC000525291821 564697277 /nfs/dbraw/zinc/69/72/77/564697277.db2.gz BTEUVEZEAVWIDY-LLVKDONJSA-N 1 0 382.295 2.954 20 0 GFADRO CN(CCC[NH+]1CCN(C)CC1)Cc1cc(Br)cc(F)c1F ZINC000575409475 564698690 /nfs/dbraw/zinc/69/86/90/564698690.db2.gz MOZMKENRODWJHJ-UHFFFAOYSA-N 1 0 376.289 2.797 20 0 GFADRO C[C@H](C[NH+]1CCCCC1)NC(=O)NCC(=O)Nc1cccc(Br)c1 ZINC000487893249 564699239 /nfs/dbraw/zinc/69/92/39/564699239.db2.gz GKACURQDOGWEOE-CYBMUJFWSA-N 1 0 397.317 2.561 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)NCc2nc3c(cccc3Br)[nH]2)C1 ZINC000458509409 564704750 /nfs/dbraw/zinc/70/47/50/564704750.db2.gz PFYVXISWJAYISM-NWDGAFQWSA-N 1 0 394.317 2.997 20 0 GFADRO [NH3+]C[C@H]1CCCC[C@H]1NC(=O)c1c(F)cccc1I ZINC000576028395 564704719 /nfs/dbraw/zinc/70/47/19/564704719.db2.gz SXEOGGNOKQTWIZ-BXKDBHETSA-N 1 0 376.213 2.678 20 0 GFADRO C[N@@H+]1CCC[C@H](CCNC(=O)NCCOc2ncc(Cl)cc2Cl)C1 ZINC000458552909 564706202 /nfs/dbraw/zinc/70/62/02/564706202.db2.gz DFCRNESRVVEHHH-GFCCVEGCSA-N 1 0 375.300 2.798 20 0 GFADRO C[S@](=O)Cc1ccc(C[NH2+]C[C@H](O)COCc2ccccc2Cl)cc1 ZINC000576272907 564710856 /nfs/dbraw/zinc/71/08/56/564710856.db2.gz RIRJSXKFGZYBQC-BVZFJXPGSA-N 1 0 381.925 2.886 20 0 GFADRO C[C@H]1[C@@H](NC(=O)NCc2nc3c(cccc3Br)[nH]2)CCC[N@@H+]1C ZINC000458663198 564710936 /nfs/dbraw/zinc/71/09/36/564710936.db2.gz SRTXCMNZBZHKAY-JQWIXIFHSA-N 1 0 380.290 2.607 20 0 GFADRO CC(=O)NCC[N@@H+](CCCc1cncn1C)Cc1ccc(Br)s1 ZINC000576288821 564711669 /nfs/dbraw/zinc/71/16/69/564711669.db2.gz GZIGPTDPFGSMEM-UHFFFAOYSA-N 1 0 399.358 2.815 20 0 GFADRO CC[N@@H+]1CCC[C@@H](CNC(=O)NCc2ccc(Br)cc2OC)C1 ZINC000488510649 564712680 /nfs/dbraw/zinc/71/26/80/564712680.db2.gz FPYBQBUBLNMMLY-ZDUSSCGKSA-N 1 0 384.318 2.989 20 0 GFADRO COc1ccc([C@@H](C)[NH2+]C2CCC3(CC2)NC(=O)NC3=O)cc1Br ZINC000553259032 564714317 /nfs/dbraw/zinc/71/43/17/564714317.db2.gz VGIGOYIKGBLPFB-MMODKWEGSA-N 1 0 396.285 2.629 20 0 GFADRO O=C(CC[NH2+][C@H]1CC(=O)N2CCCC[C@@H]12)Nc1ccc(Br)cc1 ZINC000576511101 564714962 /nfs/dbraw/zinc/71/49/62/564714962.db2.gz FGZGLZQGLKBNHQ-GJZGRUSLSA-N 1 0 380.286 2.521 20 0 GFADRO CC[NH+]1CCN(CC(=O)Nc2cc(F)c(Br)c(Cl)c2)CC1 ZINC000553292196 564715726 /nfs/dbraw/zinc/71/57/26/564715726.db2.gz DHAQDBTXODHWTG-UHFFFAOYSA-N 1 0 378.673 2.818 20 0 GFADRO CCC[N@H+](CC)C[C@@H](C)NC(=O)C(=O)Nc1ccc(Br)cc1F ZINC000576745833 564717987 /nfs/dbraw/zinc/71/79/87/564717987.db2.gz BVFOIXUJWXQQAE-LLVKDONJSA-N 1 0 388.281 2.763 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCN(S(=O)(=O)c2ccc3ccccc3c2Br)C1 ZINC000576755082 564718113 /nfs/dbraw/zinc/71/81/13/564718113.db2.gz OUXMTTJRFVVCSX-WCQYABFASA-N 1 0 383.311 2.960 20 0 GFADRO CO[C@H]1CCN(C(=O)c2cc(Cl)cc(Br)c2F)[C@H](C[NH3+])C1 ZINC000576815889 564719630 /nfs/dbraw/zinc/71/96/30/564719630.db2.gz YVHINQCRTJEQJI-UWVGGRQHSA-N 1 0 379.657 2.820 20 0 GFADRO O=C(NC1CCC(N2CC[NH2+]CC2)CC1)N1CCc2sc(Cl)cc2C1 ZINC000577104146 564724745 /nfs/dbraw/zinc/72/47/45/564724745.db2.gz MYIISKDAKHAEHI-UHFFFAOYSA-N 1 0 382.961 2.686 20 0 GFADRO C[C@H](CCc1ccc(I)cc1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000527019971 564726477 /nfs/dbraw/zinc/72/64/77/564726477.db2.gz SOHSZTCDLYUNOS-TZMCWYRMSA-N 1 0 386.277 2.680 20 0 GFADRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)Cc1ccc(I)cc1 ZINC000488979681 564726515 /nfs/dbraw/zinc/72/65/15/564726515.db2.gz NRAWTFMJLLFXAI-AWEZNQCLSA-N 1 0 386.277 2.634 20 0 GFADRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1S(=O)(=O)Cc1ccccc1Br ZINC000553558384 564726659 /nfs/dbraw/zinc/72/66/59/564726659.db2.gz WVFOGGNNHBOOAJ-XJKSGUPXSA-N 1 0 387.343 2.838 20 0 GFADRO CC[N@H+](CCO)CCNC(=O)Nc1ccc(C(F)(F)F)c(Br)c1 ZINC000527056908 564727791 /nfs/dbraw/zinc/72/77/91/564727791.db2.gz FTJGMGZQQAOOOT-UHFFFAOYSA-N 1 0 398.223 2.904 20 0 GFADRO CCCNS(=O)(=O)NC[C@@H](c1ccccc1)N1CCc2sccc2C1 ZINC000489112316 564729544 /nfs/dbraw/zinc/72/95/44/564729544.db2.gz BWWSKTHDOLTJFJ-KRWDZBQOSA-N 1 0 379.551 2.682 20 0 GFADRO C[N@@H+]1CCC[C@@H](CNC(=O)NCc2cc(F)c(F)cc2Br)C1 ZINC000553656691 564730466 /nfs/dbraw/zinc/73/04/66/564730466.db2.gz HSUQZGYFJAFHOK-JTQLQIEISA-N 1 0 376.245 2.868 20 0 GFADRO OC[C@H]([NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1)C1CCCCC1 ZINC000527136014 564731568 /nfs/dbraw/zinc/73/15/68/564731568.db2.gz OYZYXYWWPBCQJJ-WBVHZDCISA-N 1 0 390.293 2.859 20 0 GFADRO CCC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(Br)cc1-n1cncn1 ZINC000553692540 564732445 /nfs/dbraw/zinc/73/24/45/564732445.db2.gz METBXBXWPWUJGR-AWEZNQCLSA-N 1 0 392.301 2.634 20 0 GFADRO O=C(NC[C@@]1(O)C[NH+]2CCC1CC2)c1sc2ccccc2c1Br ZINC000577294875 564732619 /nfs/dbraw/zinc/73/26/19/564732619.db2.gz OZMDZCMBKLFGTL-QGZVFWFLSA-N 1 0 395.322 2.850 20 0 GFADRO O=C(NC[C@]1(O)C[NH+]2CCC1CC2)c1sc2ccccc2c1Br ZINC000577294870 564732658 /nfs/dbraw/zinc/73/26/58/564732658.db2.gz OZMDZCMBKLFGTL-KRWDZBQOSA-N 1 0 395.322 2.850 20 0 GFADRO O=C(Cc1csc(-c2ccc(Cl)cc2Cl)n1)NC[C@@H]1C[NH2+]CCO1 ZINC000577282873 564732792 /nfs/dbraw/zinc/73/27/92/564732792.db2.gz AVQFLSHFFNMQMP-LBPRGKRZSA-N 1 0 386.304 2.764 20 0 GFADRO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCc1nc2c(cccc2Br)[nH]1 ZINC000459195852 564735722 /nfs/dbraw/zinc/73/57/22/564735722.db2.gz GOAJOSCTRLHVOU-NEPJUHHUSA-N 1 0 392.301 2.704 20 0 GFADRO COc1cc(C(=O)N2CC[N@H+](C)[C@@H](C(C)C)C2)cc(OC)c1Br ZINC000489322606 564735797 /nfs/dbraw/zinc/73/57/97/564735797.db2.gz NHVCQEKIZBFEBT-CYBMUJFWSA-N 1 0 385.302 2.879 20 0 GFADRO C[C@@H]([NH3+])C[C@H](C)NC(=O)Nc1cc(Br)ccc1N1CCOCC1 ZINC000577512002 564736467 /nfs/dbraw/zinc/73/64/67/564736467.db2.gz GPZSHIQMPZJGRV-NEPJUHHUSA-N 1 0 385.306 2.533 20 0 GFADRO Cn1cc2c(n1)CCC[C@H]2[NH2+]C[C@H](O)COc1ccccc1Br ZINC000527316349 564738926 /nfs/dbraw/zinc/73/89/26/564738926.db2.gz GRPWCSAMMRXGLH-SWLSCSKDSA-N 1 0 380.286 2.590 20 0 GFADRO CCCC[N@H+](C)C[C@@H](C)NC(=O)C(=O)Nc1ccc(F)c(Br)c1 ZINC000577991230 564739266 /nfs/dbraw/zinc/73/92/66/564739266.db2.gz WGHDCDNVBUPUIV-LLVKDONJSA-N 1 0 388.281 2.763 20 0 GFADRO CCOc1cc(CN2CCC[C@@]3(CNC(=O)C3)C2)cc(Br)c1O ZINC000459376101 564741283 /nfs/dbraw/zinc/74/12/83/564741283.db2.gz NOUMDHNQCLQCQO-QGZVFWFLSA-N 1 0 383.286 2.656 20 0 GFADRO C[N@H+](Cc1cc(Cl)cc(Br)c1)C1CCN(S(C)(=O)=O)CC1 ZINC000459358325 564741371 /nfs/dbraw/zinc/74/13/71/564741371.db2.gz FCEOYOIZQOZVDO-UHFFFAOYSA-N 1 0 395.750 2.958 20 0 GFADRO Cc1nc2ccc(S(=O)(=O)N(CC[NH+](C)C)Cc3ccco3)cc2s1 ZINC000489612529 564745779 /nfs/dbraw/zinc/74/57/79/564745779.db2.gz ZAJNQEKVMDMLMC-UHFFFAOYSA-N 1 0 379.507 2.950 20 0 GFADRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1cc2c(c(Br)c1)OCO2 ZINC000554112757 564750823 /nfs/dbraw/zinc/75/08/23/564750823.db2.gz SQINGNNYQYYSHN-BXUZGUMPSA-N 1 0 381.270 2.877 20 0 GFADRO COc1cc(C(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)cc(Br)c1OC ZINC000554142374 564752002 /nfs/dbraw/zinc/75/20/02/564752002.db2.gz PODHGNXMHHJPOZ-KRWDZBQOSA-N 1 0 383.286 2.634 20 0 GFADRO CCOC(=O)c1cc(Cl)cc(S(=O)(=O)N2CCC[N@H+](C)C[C@H]2CC)c1 ZINC000489799970 564753397 /nfs/dbraw/zinc/75/33/97/564753397.db2.gz WNOWVTKBZMOGQD-OAHLLOKOSA-N 1 0 388.917 2.622 20 0 GFADRO O[C@H](C[NH2+]Cc1c[nH]nc1-c1ccc(Br)s1)C1CCOCC1 ZINC000527664605 564754362 /nfs/dbraw/zinc/75/43/62/564754362.db2.gz NEXNOIZXYZWWEH-GFCCVEGCSA-N 1 0 386.315 2.778 20 0 GFADRO C[NH+](C)C1(CNC(=O)NCCCn2cc(Br)cn2)CCCCC1 ZINC000554266554 564754441 /nfs/dbraw/zinc/75/44/41/564754441.db2.gz RFWYAIBEGYOJJE-UHFFFAOYSA-N 1 0 386.338 2.599 20 0 GFADRO C[C@@H](CNS(=O)(=O)Cc1cc(Cl)ccc1Br)C[NH+](C)C ZINC000580307995 564755520 /nfs/dbraw/zinc/75/55/20/564755520.db2.gz MRCBMPUDYVKRJJ-JTQLQIEISA-N 1 0 383.739 2.720 20 0 GFADRO Cn1nccc1N1CCC[C@H]([NH2+]Cc2ncc(Cl)cc2Br)C1 ZINC000527701691 564756215 /nfs/dbraw/zinc/75/62/15/564756215.db2.gz WEYYWLWLCILTLP-LBPRGKRZSA-N 1 0 384.709 2.990 20 0 GFADRO CC1([NH+]2CCOCC2)CCN(C(=O)NCc2cccc(Br)c2)CC1 ZINC000527706074 564757612 /nfs/dbraw/zinc/75/76/12/564757612.db2.gz PQXPROJILIONGD-UHFFFAOYSA-N 1 0 396.329 2.845 20 0 GFADRO CN(Cc1ccccc1Br)C(=O)C[N@@H+]1CC2(CCC2)[C@H]2COC[C@H]21 ZINC000459693738 564758020 /nfs/dbraw/zinc/75/80/20/564758020.db2.gz CYWPTJOLOHWFDF-DOTOQJQBSA-N 1 0 393.325 2.908 20 0 GFADRO COCCOC[C@@H](O)C[NH2+]CC1(c2cccc(Br)c2)CCCC1 ZINC000580423576 564758529 /nfs/dbraw/zinc/75/85/29/564758529.db2.gz YFTDFAPVKDTPGH-KRWDZBQOSA-N 1 0 386.330 2.874 20 0 GFADRO C[C@H]([NH2+]C[C@]1(CO)COCC2(CCC2)N1C)c1ccc(Br)s1 ZINC000527752738 564759670 /nfs/dbraw/zinc/75/96/70/564759670.db2.gz HDEGNFOJVGMBEE-LRDDRELGSA-N 1 0 389.359 2.777 20 0 GFADRO OC[C@]1([NH2+]Cc2cn3ccc(Br)cc3n2)COc2ccccc2C1 ZINC000527770946 564760565 /nfs/dbraw/zinc/76/05/65/564760565.db2.gz XPPQZDPGIIWDFK-SFHVURJKSA-N 1 0 388.265 2.553 20 0 GFADRO C[C@@H]([NH2+]CC1(C(N)=O)CCOCC1)c1cc(F)c(Br)cc1F ZINC000527850010 564763382 /nfs/dbraw/zinc/76/33/82/564763382.db2.gz NJWZXMZHIGDBFE-SECBINFHSA-N 1 0 377.229 2.660 20 0 GFADRO CN(C)Cc1ccc(NC(=O)c2csc(CC[NH3+])n2)cc1Br ZINC000580565422 564764709 /nfs/dbraw/zinc/76/47/09/564764709.db2.gz LCHYEWUCYQFMRM-UHFFFAOYSA-N 1 0 383.315 2.721 20 0 GFADRO CN(C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000554559878 564765962 /nfs/dbraw/zinc/76/59/62/564765962.db2.gz GHZIQWZUSRROKP-NVGVWMPQSA-N 1 0 384.307 2.830 20 0 GFADRO C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)C(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000459957752 564766229 /nfs/dbraw/zinc/76/62/29/564766229.db2.gz GDJDHCXIMSXMEA-BFQNTYOBSA-N 1 0 384.307 2.675 20 0 GFADRO COc1ccc(CN2CC[C@H]2C[NH2+][C@H](C)Cn2cc(Br)cn2)cc1 ZINC000527970258 564766240 /nfs/dbraw/zinc/76/62/40/564766240.db2.gz PECHQSPLAKPSRA-PBHICJAKSA-N 1 0 393.329 2.907 20 0 GFADRO O=C([C@H](c1ccc(Br)cc1)N1CCCC1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000580644783 564767717 /nfs/dbraw/zinc/76/77/17/564767717.db2.gz SUJNWISBHYLJDH-SZMVWBNQSA-N 1 0 392.341 2.796 20 0 GFADRO C[C@H](Oc1ccc(F)cc1Br)C(=O)N1CC[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000490302220 564767960 /nfs/dbraw/zinc/76/79/60/564767960.db2.gz WOYNFXYJOFQFHE-HUBLWGQQSA-N 1 0 385.277 2.908 20 0 GFADRO CC(C)[C@@H]1CN(C(=O)Cc2cc3c(cc2Br)OCCO3)CC[N@@H+]1C ZINC000490305029 564768054 /nfs/dbraw/zinc/76/80/54/564768054.db2.gz FQEGQNLTOVWZOP-HNNXBMFYSA-N 1 0 397.313 2.561 20 0 GFADRO CN(Cc1ccc(Cl)s1)C(=O)C(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000460038990 564768838 /nfs/dbraw/zinc/76/88/38/564768838.db2.gz WRVQRCKXSCYGSC-CQSZACIVSA-N 1 0 383.945 2.837 20 0 GFADRO O=S(=O)(c1cc(Cl)ccc1Cl)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000528059142 564768842 /nfs/dbraw/zinc/76/88/42/564768842.db2.gz DGHKAILGWVELMB-AWEZNQCLSA-N 1 0 393.336 2.773 20 0 GFADRO C[C@H](C(=O)NCCOc1ccc2cc(Br)ccc2c1)C1C[NH2+]C1 ZINC000580712473 564770416 /nfs/dbraw/zinc/77/04/16/564770416.db2.gz YPVGXGHNVTWVTD-LBPRGKRZSA-N 1 0 377.282 2.953 20 0 GFADRO CO[C@@H](C[N@@H+]1CCC[C@H](CNS(=O)(=O)C2CC2)C1)c1ccc(Cl)cc1 ZINC000554744313 564772724 /nfs/dbraw/zinc/77/27/24/564772724.db2.gz ZSDPXVPBCHILBP-KDOFPFPSSA-N 1 0 386.945 2.821 20 0 GFADRO CN(C)CC[N@H+](C)CCCNC(=O)c1ccc(Cl)c(Br)c1 ZINC000554781232 564773732 /nfs/dbraw/zinc/77/37/32/564773732.db2.gz QCGHAFFXRJEFAV-UHFFFAOYSA-N 1 0 376.726 2.716 20 0 GFADRO CS[C@H]1CN(CC(=O)Nc2ccc(Br)cc2)C[C@H]1[NH+]1CCCC1 ZINC000460348142 564773866 /nfs/dbraw/zinc/77/38/66/564773866.db2.gz OKPAKQZCWMVMHO-CVEARBPZSA-N 1 0 398.370 2.899 20 0 GFADRO CCOC(=O)[C@H](C)[C@@H](C)[NH2+][C@@H](C)C(=O)N(C)Cc1ccc(Br)cc1 ZINC000554812124 564774547 /nfs/dbraw/zinc/77/45/47/564774547.db2.gz PVVMDVSAAILOIK-MCIONIFRSA-N 1 0 399.329 2.973 20 0 GFADRO CCCN(C(=O)c1scc(C)c1I)[C@H]1CC[NH2+]C1 ZINC000580828487 564775518 /nfs/dbraw/zinc/77/55/18/564775518.db2.gz WEPBRJYOBYDECR-JTQLQIEISA-N 1 0 378.279 2.875 20 0 GFADRO Cc1cc(S(=O)(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)c(C)cc1Br ZINC000490532028 564775806 /nfs/dbraw/zinc/77/58/06/564775806.db2.gz UMUJYKQHVPNNBN-INIZCTEOSA-N 1 0 387.343 2.782 20 0 GFADRO CN(Cc1cc(Br)cn1C)C(=O)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000528287193 564776070 /nfs/dbraw/zinc/77/60/70/564776070.db2.gz IEEBCAGFQWZPRK-OAHLLOKOSA-N 1 0 383.334 2.946 20 0 GFADRO C[C@H](NC(=O)[C@H]1C[C@]1(C)Br)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000528329175 564777665 /nfs/dbraw/zinc/77/76/65/564777665.db2.gz SKAGSJBNFRXNFV-PNPHSEOMSA-N 1 0 398.320 2.928 20 0 GFADRO O=C(c1ccc(-n2cc(Br)cn2)cc1)N1CCC2(CC[NH2+]2)CC1 ZINC000581006052 564783563 /nfs/dbraw/zinc/78/35/63/564783563.db2.gz UYTQNILPIMVJMO-UHFFFAOYSA-N 1 0 375.270 2.603 20 0 GFADRO C[N@H+](CC(=O)N1CCC(n2ccc(C(F)(F)F)n2)CC1)[C@@H]1CCSC1 ZINC000491002635 564783860 /nfs/dbraw/zinc/78/38/60/564783860.db2.gz UHINKYLWVOFSMS-CYBMUJFWSA-N 1 0 376.448 2.503 20 0 GFADRO C[C@H](NC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1)c1cccc(Cl)c1Cl ZINC000581006777 564784286 /nfs/dbraw/zinc/78/42/86/564784286.db2.gz PZDVVEROJQJUQO-VZJVUDMVSA-N 1 0 382.295 2.924 20 0 GFADRO CCOC(=O)[C@@](C)(O)CNc1c(C)c(C)[nH+]c2ccc(Br)cc21 ZINC000555134996 564784672 /nfs/dbraw/zinc/78/46/72/564784672.db2.gz DIRBVGSRSXAPNS-KRWDZBQOSA-N 1 0 381.270 2.762 20 0 GFADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)c3sc4ncccc4c3Cl)C2)CC1 ZINC000528456795 564786848 /nfs/dbraw/zinc/78/68/48/564786848.db2.gz QVPROIUFQLVCJD-CYBMUJFWSA-N 1 0 378.929 2.802 20 0 GFADRO [NH3+]CC[C@@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1)C(F)F ZINC000581071184 564786954 /nfs/dbraw/zinc/78/69/54/564786954.db2.gz IODKNBLZKYBMPL-OLZOCXBDSA-N 1 0 394.249 2.697 20 0 GFADRO O=S(=O)(NC[C@H]1CC[N@@H+]1C1CCCCC1)c1ccc(C(F)(F)F)nc1 ZINC000528480071 564787919 /nfs/dbraw/zinc/78/79/19/564787919.db2.gz XMADOGSJLBCPKC-CYBMUJFWSA-N 1 0 377.432 2.786 20 0 GFADRO CC[C@@H]1C[N@H+](C)CCN1C(=O)[C@@H]1CCN(c2cc(Cl)ccc2Cl)C1=O ZINC000581270920 564795241 /nfs/dbraw/zinc/79/52/41/564795241.db2.gz XCRDGMUVOMBLCB-KGLIPLIRSA-N 1 0 384.307 2.899 20 0 GFADRO C[NH+](C)C1(CNC(=O)c2ccc(Br)c(F)c2F)CCOCC1 ZINC000528567343 564795796 /nfs/dbraw/zinc/79/57/96/564795796.db2.gz QWZRKFJATOUVLE-UHFFFAOYSA-N 1 0 377.229 2.568 20 0 GFADRO OCC[C@H]([NH2+]Cc1cn(-c2cccc(Cl)c2Cl)nn1)C1CCOCC1 ZINC000461399599 564795838 /nfs/dbraw/zinc/79/58/38/564795838.db2.gz LFENRBPPBGQDBF-HNNXBMFYSA-N 1 0 385.295 2.841 20 0 GFADRO CC[NH+]1CCN(CCNC(=O)c2c(Br)ccc3ccccc32)CC1 ZINC000528561995 564796133 /nfs/dbraw/zinc/79/61/33/564796133.db2.gz WFDFBKWCSSFNPA-UHFFFAOYSA-N 1 0 390.325 2.970 20 0 GFADRO Ic1ccc2ncnc(NCCC[NH+]3CCCCC3)c2c1 ZINC000461464981 564797910 /nfs/dbraw/zinc/79/79/10/564797910.db2.gz SWNKWYHGZZJZAK-UHFFFAOYSA-N 1 0 396.276 3.522 20 0 GFADRO CC[NH+](CC)[C@H](C)CNc1ncnc2ccc(I)cc21 ZINC000461457598 564798105 /nfs/dbraw/zinc/79/81/05/564798105.db2.gz RTZAJFPHSZYCPA-LLVKDONJSA-N 1 0 384.265 3.377 20 0 GFADRO OCc1cn([C@H]2CCCN(Cc3nc4ccc(Br)cc4o3)C2)nn1 ZINC000555592378 564798811 /nfs/dbraw/zinc/79/88/11/564798811.db2.gz POMLECVQGSAQJE-ZDUSSCGKSA-N 1 0 392.257 2.511 20 0 GFADRO Cc1ncc(Br)cc1NC(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000528693759 564800183 /nfs/dbraw/zinc/80/01/83/564800183.db2.gz KCVMOAMSOWCJKX-OAHLLOKOSA-N 1 0 397.317 2.775 20 0 GFADRO O=c1cc(C[N@@H+]2CCOC[C@H](C3CCC3)C2)nc2ccc(Br)cn12 ZINC000555653250 564800453 /nfs/dbraw/zinc/80/04/53/564800453.db2.gz IDDNLEQUIRTDNK-CQSZACIVSA-N 1 0 392.297 2.706 20 0 GFADRO C[NH+]1CCC(CNC(=O)c2ccn(-c3ccc(Br)cc3)n2)CC1 ZINC000555696200 564802182 /nfs/dbraw/zinc/80/21/82/564802182.db2.gz YUIMQBPIKKJWHL-UHFFFAOYSA-N 1 0 377.286 2.706 20 0 GFADRO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]C[C@H]1CC(=O)N(C2CC2)C1 ZINC000581434241 564802483 /nfs/dbraw/zinc/80/24/83/564802483.db2.gz ORMPMFGKTCSIRQ-CHWSQXEVSA-N 1 0 394.313 2.767 20 0 GFADRO C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@@H]2CCc3c2cccc3Br)[C@H](C)C1 ZINC000492756638 564803135 /nfs/dbraw/zinc/80/31/35/564803135.db2.gz KIAXZDJDBXNILW-IIYDPXPESA-N 1 0 396.329 2.533 20 0 GFADRO C[C@]1(CO)C[N@@H+](CCC(=O)Nc2cc(Cl)ccc2Cl)C[C@@]1(C)CO ZINC000528751557 564803071 /nfs/dbraw/zinc/80/30/71/564803071.db2.gz LVZWSHSTDCOLEY-CALCHBBNSA-N 1 0 375.296 2.635 20 0 GFADRO C[C@]1(CO)CN(Cc2ncc(-c3cccc(Br)c3)o2)C[C@@]1(C)CO ZINC000528753401 564803089 /nfs/dbraw/zinc/80/30/89/564803089.db2.gz RGVZJWLBHYWGMR-HDICACEKSA-N 1 0 395.297 2.917 20 0 GFADRO C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1[NH2+]CCS(=O)(=O)c1cccc(Br)c1 ZINC000528755756 564803791 /nfs/dbraw/zinc/80/37/91/564803791.db2.gz HYJGQURRXSJOQJ-OHTBPHCPSA-N 1 0 376.316 2.624 20 0 GFADRO O=C1[C@@H]([NH2+]Cc2cc(Br)c3c(c2)OCCCO3)C[C@H]2CCCCN12 ZINC000581471001 564804557 /nfs/dbraw/zinc/80/45/57/564804557.db2.gz SYLFVCHYEHXWFD-HIFRSBDPSA-N 1 0 395.297 2.853 20 0 GFADRO FC(F)Oc1ccc(Br)cc1C[NH2+][C@H]1CCc2nnnn2CC1 ZINC000581660690 564812640 /nfs/dbraw/zinc/81/26/40/564812640.db2.gz SWAITUBTPMOMRK-NSHDSACASA-N 1 0 388.216 2.532 20 0 GFADRO CS(=O)(=O)[C@H]1CCC[C@@H]([NH2+]CCCOc2ccc(C(F)(F)F)cn2)C1 ZINC000556240952 564815961 /nfs/dbraw/zinc/81/59/61/564815961.db2.gz HKGJTDFNMKGDFY-KGLIPLIRSA-N 1 0 380.432 2.815 20 0 GFADRO CC(C)[N@@H+](C)C[C@H](C)NC(=O)C(=O)Nc1ccc(Br)c(C2CC2)n1 ZINC000556252842 564816325 /nfs/dbraw/zinc/81/63/25/564816325.db2.gz QAGZCJIVTBHAPG-NSHDSACASA-N 1 0 397.317 2.505 20 0 GFADRO O=S(=O)(CCc1ccccc1Br)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000462093456 564818649 /nfs/dbraw/zinc/81/86/49/564818649.db2.gz NDXFNJJUVYFOLJ-HOTGVXAUSA-N 1 0 387.343 2.538 20 0 GFADRO C[C@H]([NH2+][C@@]1(C)CCO[C@H]1C)C(=O)Nc1cccc(I)c1 ZINC000494236578 564820348 /nfs/dbraw/zinc/82/03/48/564820348.db2.gz FBSBSAQKXCBPOT-PGUXBMHVSA-N 1 0 388.249 2.775 20 0 GFADRO C[C@@H]1CN(C(=O)Nc2cnn(-c3ncc(Cl)cc3Cl)c2)C[C@@H]1[NH+](C)C ZINC000494295540 564823341 /nfs/dbraw/zinc/82/33/41/564823341.db2.gz LGTDAVCLDJDCHC-YGRLFVJLSA-N 1 0 383.283 2.988 20 0 GFADRO C[NH+]1CCC(O)(CNC(=O)Nc2cc(Cl)c(Br)cc2F)CC1 ZINC000529175093 564823919 /nfs/dbraw/zinc/82/39/19/564823919.db2.gz RWSKOJATRFIKKW-UHFFFAOYSA-N 1 0 394.672 2.820 20 0 GFADRO CCSc1nnc(NC(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)s1 ZINC000462240289 564828215 /nfs/dbraw/zinc/82/82/15/564828215.db2.gz WFNSILHVMRKYPY-OCCSQVGLSA-N 1 0 377.539 3.292 20 0 GFADRO CC(C)[NH+]1CCC(O)(CNC(=O)[C@@H](C)c2cccc(Br)c2)CC1 ZINC000462228945 564828697 /nfs/dbraw/zinc/82/86/97/564828697.db2.gz BXRWGKLUGASALO-AWEZNQCLSA-N 1 0 383.330 2.904 20 0 GFADRO O=C(N[C@H](c1cncc(Br)c1)C1CC1)N[C@H]1CC[NH2+]C12CCC2 ZINC000529329041 564829008 /nfs/dbraw/zinc/82/90/08/564829008.db2.gz IZEXLTJTRVINEC-GJZGRUSLSA-N 1 0 379.302 2.879 20 0 GFADRO C[N@@H+]1CC[C@H]2OCCN(C(=O)[C@@H]3C[C@H]3c3csc(Br)c3)[C@H]2C1 ZINC000529326558 564829127 /nfs/dbraw/zinc/82/91/27/564829127.db2.gz YPEZOUOOEXSMOQ-RFQIPJPRSA-N 1 0 385.327 2.546 20 0 GFADRO Brc1cc(C[NH2+][C@@H]2CCn3ccnc3C2)cc2c1OCCCO2 ZINC000494410577 564829393 /nfs/dbraw/zinc/82/93/93/564829393.db2.gz GJLHIABPPCNXML-CYBMUJFWSA-N 1 0 378.270 2.912 20 0 GFADRO O=C(NC[C@H]1COCC[NH2+]1)N[C@H](c1ccc(Br)cc1)C1CCC1 ZINC000529308263 564829604 /nfs/dbraw/zinc/82/96/04/564829604.db2.gz DNEFHCIXGKOYBQ-HOTGVXAUSA-N 1 0 382.302 2.578 20 0 GFADRO O=C(NC[C@@H]1COCC[NH2+]1)N[C@@H](c1ccc(Br)cc1)C1CCC1 ZINC000529308264 564829616 /nfs/dbraw/zinc/82/96/16/564829616.db2.gz DNEFHCIXGKOYBQ-HZPDHXFCSA-N 1 0 382.302 2.578 20 0 GFADRO C[C@H](NC(=O)NCc1ccc(Br)c(F)c1F)[C@@H]1CCC[NH2+]C1 ZINC000529332578 564830443 /nfs/dbraw/zinc/83/04/43/564830443.db2.gz NRLXQZVTSGIVMT-VHSXEESVSA-N 1 0 376.245 2.915 20 0 GFADRO CC1(c2ccc(Br)cc2)CCN(C(=O)NC[C@@H]2COCC[NH2+]2)CC1 ZINC000529376282 564831948 /nfs/dbraw/zinc/83/19/48/564831948.db2.gz LKGXBFAZBWCBRT-MRXNPFEDSA-N 1 0 396.329 2.501 20 0 GFADRO CC[C@@H]([NH2+]CC(=O)Nc1ccc(I)cc1)[C@@H]1CCOC1 ZINC000556608371 564831904 /nfs/dbraw/zinc/83/19/04/564831904.db2.gz HIIAFGLIUOAHHN-BXUZGUMPSA-N 1 0 388.249 2.634 20 0 GFADRO O=C(NCc1ccc(Br)c(F)c1F)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000529370782 564832310 /nfs/dbraw/zinc/83/23/10/564832310.db2.gz SKOKOVQVAUSORE-PHIMTYICSA-N 1 0 388.256 2.868 20 0 GFADRO CC[C@H]1CN(C(=O)NCc2ccc(Br)c(F)c2F)CC[C@H]1[NH3+] ZINC000529369047 564832395 /nfs/dbraw/zinc/83/23/95/564832395.db2.gz GEBPVCYNHMSJNB-JOYOIKCWSA-N 1 0 376.245 2.996 20 0 GFADRO CC[C@H]1CN(CC[NH2+][C@@H](C)CC(=O)Nc2ccc(Br)cc2)CCO1 ZINC000494505041 564832587 /nfs/dbraw/zinc/83/25/87/564832587.db2.gz ODONYXFLALMJMT-YOEHRIQHSA-N 1 0 398.345 2.867 20 0 GFADRO CN(C(=O)C[C@H]1CSCC[NH2+]1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000582176532 564834193 /nfs/dbraw/zinc/83/41/93/564834193.db2.gz YWRUEPVPVRLIDH-GXTWGEPZSA-N 1 0 385.327 2.826 20 0 GFADRO CCOC(=O)c1sc(NC(=O)C[NH2+][C@H](CO)c2sccc2C)cc1C ZINC000494639677 564836028 /nfs/dbraw/zinc/83/60/28/564836028.db2.gz ZHTJPFILUJEVQE-GFCCVEGCSA-N 1 0 382.507 2.865 20 0 GFADRO [NH3+][C@H]1CCCC[C@@H]1CC(=O)NCCC(=O)Nc1ccc(Br)cc1 ZINC000582238514 564836766 /nfs/dbraw/zinc/83/67/66/564836766.db2.gz IGAOMGBLFPKTRD-DOMZBBRYSA-N 1 0 382.302 2.802 20 0 GFADRO OC[C@@H]([NH2+]C[C@H](O)COc1ccc(Br)cc1)c1ccc(F)cc1 ZINC000582260687 564838006 /nfs/dbraw/zinc/83/80/06/564838006.db2.gz IYIBGHHKCAESCF-DOTOQJQBSA-N 1 0 384.245 2.651 20 0 GFADRO C[C@H](NC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1)c1ncc(Br)cn1 ZINC000556756638 564838064 /nfs/dbraw/zinc/83/80/64/564838064.db2.gz IQLJLISZJPDSFN-ZFWWWQNUSA-N 1 0 396.333 2.960 20 0 GFADRO C[N@@H+]1CCC[C@H](CCNC(=O)c2cccc(F)c2I)C1 ZINC000556735236 564838394 /nfs/dbraw/zinc/83/83/94/564838394.db2.gz JDGDYILYPRPFAT-LLVKDONJSA-N 1 0 390.240 2.892 20 0 GFADRO CC[NH+](CC)CC[C@H](CO)NC(=O)c1c(C)c(C)sc1Br ZINC000556798111 564840513 /nfs/dbraw/zinc/84/05/13/564840513.db2.gz YTYIKFBCLLKFAN-GFCCVEGCSA-N 1 0 377.348 2.950 20 0 GFADRO C[C@@H]1C[NH+](Cc2ccc(CNS(=O)(=O)c3ccsc3)cc2)C[C@@H](C)O1 ZINC000556809127 564841054 /nfs/dbraw/zinc/84/10/54/564841054.db2.gz KWLZVCFNFIBPBG-HUUCEWRRSA-N 1 0 380.535 2.836 20 0 GFADRO COc1cc(C[N@H+](C)C2CCN(S(C)(=O)=O)CC2)cc(C(F)(F)F)c1 ZINC000529536841 564841151 /nfs/dbraw/zinc/84/11/51/564841151.db2.gz NSTXZWFARYLYPV-UHFFFAOYSA-N 1 0 380.432 2.570 20 0 GFADRO Cc1nc(NC(=O)C(=O)NC[C@H](c2ccc(Cl)cc2)[NH+](C)C)sc1C ZINC000582338690 564841670 /nfs/dbraw/zinc/84/16/70/564841670.db2.gz VTAUSYQRNHKYTF-CQSZACIVSA-N 1 0 380.901 2.771 20 0 GFADRO COc1ccc(S(=O)(=O)N2CCN(CC(C)C)CC2)c(Cl)c1Cl ZINC000462477036 564842844 /nfs/dbraw/zinc/84/28/44/564842844.db2.gz XJHONBXERRBHNS-UHFFFAOYSA-N 1 0 381.325 2.964 20 0 GFADRO CSC1(CNC(=O)NC[C@@H](CO)c2ccccc2Cl)CC[NH+](C)CC1 ZINC000462512384 564844502 /nfs/dbraw/zinc/84/45/02/564844502.db2.gz SAZYAAPYMUNUSN-AWEZNQCLSA-N 1 0 385.961 2.543 20 0 GFADRO Clc1ccc(Cc2nc(CN3CC[C@@H](N4CC[NH2+]CC4)C3)cs2)cc1 ZINC000582424021 564846261 /nfs/dbraw/zinc/84/62/61/564846261.db2.gz SUZJFWKGMMUTRR-GOSISDBHSA-N 1 0 376.957 2.867 20 0 GFADRO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N(C)[C@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000462539165 564846302 /nfs/dbraw/zinc/84/63/02/564846302.db2.gz QJEIZTNZFOQCKM-DOMZBBRYSA-N 1 0 387.933 2.539 20 0 GFADRO CC[NH+](CC)CCN(C(=O)[C@@H]1CO[C@H](C)C1)c1ccc(Br)cn1 ZINC000582424139 564846688 /nfs/dbraw/zinc/84/66/88/564846688.db2.gz XCTGUWQBAZUMSL-KGLIPLIRSA-N 1 0 384.318 2.944 20 0 GFADRO CC(C)(C)[C@H](O)CN1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1 ZINC000582434649 564846702 /nfs/dbraw/zinc/84/67/02/564846702.db2.gz FMTJKWSTDORQCM-CQSZACIVSA-N 1 0 395.352 2.707 20 0 GFADRO Cc1c(S(=O)(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)cnn1-c1ccc(Cl)cc1 ZINC000582487543 564848354 /nfs/dbraw/zinc/84/83/54/564848354.db2.gz ZRBAPRBSFCYWGW-DZGCQCFKSA-N 1 0 382.917 2.630 20 0 GFADRO O=C(NC[C@@H]1CC[N@@H+]1C1CCCCC1)c1cncc(I)c1 ZINC000529723207 564848413 /nfs/dbraw/zinc/84/84/13/564848413.db2.gz RCCIWSZENCPSIV-HNNXBMFYSA-N 1 0 399.276 2.823 20 0 GFADRO CC(=O)c1cc(Br)ccc1OCC(=O)N(C)CC[N@H+](C)C1CC1 ZINC000556990502 564850110 /nfs/dbraw/zinc/85/01/10/564850110.db2.gz JKCXABZAVFBPDI-UHFFFAOYSA-N 1 0 383.286 2.583 20 0 GFADRO CCn1cc(Br)cc1C(=O)N(CCCOC)C1CC[NH+](C)CC1 ZINC000582519034 564850504 /nfs/dbraw/zinc/85/05/04/564850504.db2.gz CGMCPMKREONNLV-UHFFFAOYSA-N 1 0 386.334 2.843 20 0 GFADRO O=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)c1cn2ccc(Br)cc2n1 ZINC000557015120 564850992 /nfs/dbraw/zinc/85/09/92/564850992.db2.gz DFNNZJLGMDHBJD-AWEZNQCLSA-N 1 0 377.286 2.844 20 0 GFADRO CC[C@@H]1CN(C(=O)[C@H](C)c2cccc(Br)c2)CC[N@@H+]1C[C@@H](C)O ZINC000462589427 564850976 /nfs/dbraw/zinc/85/09/76/564850976.db2.gz HKLUSUXFCQOPGI-CKEIUWERSA-N 1 0 383.330 2.856 20 0 GFADRO CS[C@H]1CN(C(=O)c2cnn(-c3ccc(Cl)cc3)c2C)C[C@H]1[NH+](C)C ZINC000495563809 564855582 /nfs/dbraw/zinc/85/55/82/564855582.db2.gz FHQMCEVDAVBUFO-SJORKVTESA-N 1 0 378.929 2.952 20 0 GFADRO CS[C@H]1CN(C(=O)Cc2c[nH]c3cccc(Br)c23)C[C@H]1[NH+](C)C ZINC000495657771 564855681 /nfs/dbraw/zinc/85/56/81/564855681.db2.gz VFXPAGUINMROSY-CABCVRRESA-N 1 0 396.354 2.977 20 0 GFADRO Brc1cc2c(cc1CN1CCC[C@@H]([NH+]3CCOCC3)CC1)OCO2 ZINC000582656754 564856289 /nfs/dbraw/zinc/85/62/89/564856289.db2.gz PZFWBHVPYJCSBK-OAHLLOKOSA-N 1 0 397.313 2.865 20 0 GFADRO O=C(C1CC1)N1CCC([NH2+]C[C@@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000557202276 564857596 /nfs/dbraw/zinc/85/75/96/564857596.db2.gz OWAIRCBZICGMPM-OAHLLOKOSA-N 1 0 387.307 2.724 20 0 GFADRO C[C@@]1(CNC(=O)N[C@H]2CCN(c3ccc(Br)cc3)C2)CCC[NH2+]C1 ZINC000582714756 564857906 /nfs/dbraw/zinc/85/79/06/564857906.db2.gz DGDCUOIBWJKVIK-MAUKXSAKSA-N 1 0 395.345 2.717 20 0 GFADRO O=C1[C@H]([NH2+]C[C@H](O)COCc2cccs2)CCN1c1cccc(Cl)c1 ZINC000582720868 564859077 /nfs/dbraw/zinc/85/90/77/564859077.db2.gz KNVWHFMJEVYPRM-DOTOQJQBSA-N 1 0 380.897 2.674 20 0 GFADRO C[NH+](C)C[C@@H](NC(=O)[C@H]1CCCN(C(N)=O)C1)c1ccc(Cl)c(Cl)c1 ZINC000530031433 564860383 /nfs/dbraw/zinc/86/03/83/564860383.db2.gz JAAQRIIMAVRJER-SWLSCSKDSA-N 1 0 387.311 2.503 20 0 GFADRO C[NH+](C)C[C@H](NC(=O)[C@@H]1OC[C@@H]2COCC[C@@H]12)c1ccc(Cl)c(Cl)c1 ZINC000530033911 564860818 /nfs/dbraw/zinc/86/08/18/564860818.db2.gz RVIRNEJSVAWCBY-UWWPHRKUSA-N 1 0 387.307 2.764 20 0 GFADRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)NCCCOc1ncc(C(F)(F)F)cc1Cl ZINC000582784711 564861774 /nfs/dbraw/zinc/86/17/74/564861774.db2.gz QGGHSBUGJGMJQA-NXEZZACHSA-N 1 0 382.814 2.948 20 0 GFADRO O=C(N[C@@H]1C[C@H]1C1CC[NH2+]CC1)C1=Cc2cc(Br)ccc2OC1 ZINC000462889630 564862330 /nfs/dbraw/zinc/86/23/30/564862330.db2.gz ULXVXWJWJLNBMW-JKSUJKDBSA-N 1 0 377.282 2.729 20 0 GFADRO O=C(CNCC(F)(F)F)N(CC[NH+]1CCCC1)Cc1ccc(Cl)cc1 ZINC000496914905 564862649 /nfs/dbraw/zinc/86/26/49/564862649.db2.gz LGGOENPGCBFNFI-UHFFFAOYSA-N 1 0 377.838 2.916 20 0 GFADRO CC(C)[N@@H+]1CCCN(C(=O)C2(c3cccc(Br)c3)CC(=O)C2)CC1 ZINC000582815686 564863523 /nfs/dbraw/zinc/86/35/23/564863523.db2.gz BHONQIQHMUXAAB-UHFFFAOYSA-N 1 0 393.325 2.993 20 0 GFADRO C[C@@H](C[NH+]1CCOCC1)C(=O)NCCc1ccc(Br)cc1Cl ZINC000557489465 564865596 /nfs/dbraw/zinc/86/55/96/564865596.db2.gz VAKKPXBISDUARW-LBPRGKRZSA-N 1 0 389.721 2.730 20 0 GFADRO NC(=O)[C@@H](NC[C@H]1CC[N@@H+]1C1CCCCC1)c1cccc(Br)c1 ZINC000530129202 564865617 /nfs/dbraw/zinc/86/56/17/564865617.db2.gz GFQAKHGOPGAPAG-SJORKVTESA-N 1 0 380.330 2.972 20 0 GFADRO CC[N@@H+]1CCN(C(=O)c2ccc(-n3cc(Br)cn3)cc2)[C@@H](C)C1 ZINC000557525514 564866390 /nfs/dbraw/zinc/86/63/90/564866390.db2.gz KAOJJJWFCWOBKU-ZDUSSCGKSA-N 1 0 377.286 2.801 20 0 GFADRO O=S(=O)(CCC[NH2+]C1CCN(CCC(F)(F)F)CC1)c1ccccc1 ZINC000463069499 564868612 /nfs/dbraw/zinc/86/86/12/564868612.db2.gz XGHUQDADOFXOHP-UHFFFAOYSA-N 1 0 378.460 2.857 20 0 GFADRO C[NH+](C)CCN1CCN(C(=O)CSCc2ccc(Cl)cc2Cl)CC1 ZINC000497514761 564869127 /nfs/dbraw/zinc/86/91/27/564869127.db2.gz HHROOVKLIQEXGK-UHFFFAOYSA-N 1 0 390.380 2.932 20 0 GFADRO Fc1ccc([C@H]2CN(CC[N@@H+]3CCCOCC3)CCO2)cc1Br ZINC000463203354 564871614 /nfs/dbraw/zinc/87/16/14/564871614.db2.gz NRBZLDUBWZPZJJ-QGZVFWFLSA-N 1 0 387.293 2.684 20 0 GFADRO COCCOC[C@@H](C)[NH2+]Cc1cc(Br)cc(Br)c1N ZINC000463241481 564873647 /nfs/dbraw/zinc/87/36/47/564873647.db2.gz CAKWLBWZDZQNGY-SECBINFHSA-N 1 0 396.123 2.935 20 0 GFADRO C[N@@H+]1CC[C@H]2CCN(C(=O)NCCOc3ccc(Br)cc3)[C@@H]2C1 ZINC000497691705 564874108 /nfs/dbraw/zinc/87/41/08/564874108.db2.gz PZTYFVRBVCGIFK-XJKSGUPXSA-N 1 0 382.302 2.564 20 0 GFADRO Cc1nc(CSc2ccccc2C(=O)NC[C@H]2C[NH2+]CCCO2)cs1 ZINC000583087199 564875705 /nfs/dbraw/zinc/87/57/05/564875705.db2.gz MKOFODCBXRWFPW-OAHLLOKOSA-N 1 0 377.535 2.852 20 0 GFADRO CCC1(CC)CN(C(=O)C(=O)NC[C@H](c2cccs2)[NH+](C)C)CCS1 ZINC000583097593 564875725 /nfs/dbraw/zinc/87/57/25/564875725.db2.gz PLWHDLMDZDAMIJ-CQSZACIVSA-N 1 0 383.583 2.601 20 0 GFADRO C[C@@H]([NH2+]C[C@@H](O)C(F)(F)F)c1ccc(Br)cc1OCCCO ZINC000463362980 564877344 /nfs/dbraw/zinc/87/73/44/564877344.db2.gz XTVCMNGVAFXRCI-NOZJJQNGSA-N 1 0 386.208 2.784 20 0 GFADRO CCCNC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(Br)cc1OCCCO ZINC000463370735 564877626 /nfs/dbraw/zinc/87/76/26/564877626.db2.gz XJTODIDWDPZNSU-CHWSQXEVSA-N 1 0 387.318 2.776 20 0 GFADRO Cc1ncc2n1C[C@@H](C(=O)N[C@H](CCO)c1ccccc1Br)CC2 ZINC000583269544 564883796 /nfs/dbraw/zinc/88/37/96/564883796.db2.gz XIWLYNNPIQJRMW-SUMWQHHRSA-N 1 0 392.297 2.756 20 0 GFADRO COc1ccc(CN2CCCC[C@H](S(C)(=O)=O)C2)c(Br)c1 ZINC000583290259 564884399 /nfs/dbraw/zinc/88/43/99/564884399.db2.gz PMOCXNIHMRGTFC-AWEZNQCLSA-N 1 0 376.316 2.857 20 0 GFADRO C[C@@H](OC[C@H](O)C[NH2+]C1CCC(S(C)(=O)=O)CC1)c1ccc(Cl)cc1 ZINC000583317334 564886237 /nfs/dbraw/zinc/88/62/37/564886237.db2.gz DPZCIZADRFFBGW-OEWOMKROSA-N 1 0 389.945 2.724 20 0 GFADRO NS(=O)(=O)c1ccc(NC2CC([NH+]3CCCCC3)C2)cc1C(F)(F)F ZINC000530535663 564886515 /nfs/dbraw/zinc/88/65/15/564886515.db2.gz JONQPMHEJXRNPM-UHFFFAOYSA-N 1 0 377.432 2.782 20 0 GFADRO CC(C)NS(=O)(=O)[C@H]1CCN(Cc2c(Cl)cc(Cl)cc2N(C)C)C1 ZINC000583364084 564888490 /nfs/dbraw/zinc/88/84/90/564888490.db2.gz OBWYNSFHJIUBED-ZDUSSCGKSA-N 1 0 394.368 2.962 20 0 GFADRO COc1ccc(CCC(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)cc1Br ZINC000498110773 564888903 /nfs/dbraw/zinc/88/89/03/564888903.db2.gz TYYRTBBZRXTBSM-CQSZACIVSA-N 1 0 381.314 2.991 20 0 GFADRO Cc1cc(S(=O)(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c(F)cc1Br ZINC000583381114 564889543 /nfs/dbraw/zinc/88/95/43/564889543.db2.gz YCEXZSRGGYAVCR-FOSCPWQOSA-N 1 0 391.306 2.800 20 0 GFADRO Cc1cccc(I)c1C(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000463769906 564889824 /nfs/dbraw/zinc/88/98/24/564889824.db2.gz LAKFBAXFIARNFU-ZDUSSCGKSA-N 1 0 384.261 2.908 20 0 GFADRO C[C@]1([NH3+])CCCC[C@@H]1C(=O)NC[C@H](O)COc1cccc(Cl)c1Cl ZINC000498191243 564890961 /nfs/dbraw/zinc/89/09/61/564890961.db2.gz HACMAFMVUUGSIZ-JKDFXYPNSA-N 1 0 375.296 2.757 20 0 GFADRO COCCN(C)C[C@@H](O)C[NH2+][C@@H]1c2cccc(Br)c2CC1(C)C ZINC000583449028 564892129 /nfs/dbraw/zinc/89/21/29/564892129.db2.gz ZAVMYPJUVWRTES-SUMWQHHRSA-N 1 0 385.346 2.601 20 0 GFADRO CC[C@H]1C[N@H+](C)CCN1c1ncnc2cccc(I)c21 ZINC000583453503 564892166 /nfs/dbraw/zinc/89/21/66/564892166.db2.gz VNFPZFOAXGUFRW-NSHDSACASA-N 1 0 382.249 2.765 20 0 GFADRO O=C(Nc1ccsc1Cl)C(=O)Nc1cccc(C[N@H+]2CC[C@H](O)C2)c1 ZINC000463966386 564893498 /nfs/dbraw/zinc/89/34/98/564893498.db2.gz SXPRLODKQBFMET-ZDUSSCGKSA-N 1 0 379.869 2.545 20 0 GFADRO COc1cc(C)c(Br)cc1NC(=O)c1cc([C@H]2CC[NH2+]C2)[nH]n1 ZINC000583501140 564894657 /nfs/dbraw/zinc/89/46/57/564894657.db2.gz WUPSRQKKPZOAQN-JTQLQIEISA-N 1 0 379.258 2.818 20 0 GFADRO C[C@@H]([NH2+][C@@H]1CCCN(S(=O)(=O)N(C)C)C1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000558252726 564896079 /nfs/dbraw/zinc/89/60/79/564896079.db2.gz QOXYQVPEQHCDDQ-YIYPIFLZSA-N 1 0 391.990 2.754 20 0 GFADRO CNC(=O)[C@H]1CCC[C@@H]1[NH2+]Cc1cn(-c2ccc(Br)cc2)nc1C ZINC000498349945 564897031 /nfs/dbraw/zinc/89/70/31/564897031.db2.gz NIVYLSOMYOUHFS-IRXDYDNUSA-N 1 0 391.313 2.948 20 0 GFADRO COCC[NH2+]CCNS(=O)(=O)c1ccc(Oc2ccc(Cl)cc2)cc1 ZINC000583565152 564897785 /nfs/dbraw/zinc/89/77/85/564897785.db2.gz SMJHYFOFZTVQDJ-UHFFFAOYSA-N 1 0 384.885 2.647 20 0 GFADRO CCC[C@@H]1CN(S(=O)(=O)c2c(F)cccc2Cl)CCN1CCOC ZINC000464203261 564898647 /nfs/dbraw/zinc/89/86/47/564898647.db2.gz AZFJSHARDLMTFK-CYBMUJFWSA-N 1 0 378.897 2.601 20 0 GFADRO CCC(=O)N[C@H](CCSC)C(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000531066957 564900758 /nfs/dbraw/zinc/90/07/58/564900758.db2.gz QBLZGJWRAYRRRF-HZPDHXFCSA-N 1 0 385.961 2.707 20 0 GFADRO CC[N@@H+]1C[C@@H](C)N(C(=O)c2cc(I)ccc2F)C[C@@H]1C ZINC000498567027 564902549 /nfs/dbraw/zinc/90/25/49/564902549.db2.gz LAXWGOFFXRHPBG-WDEREUQCSA-N 1 0 390.240 2.985 20 0 GFADRO CC1=C[C@H](C)C[C@@H](C[NH2+]Cc2ccc(S(=O)(=O)N3CCOCC3)s2)C1 ZINC000558482737 564903131 /nfs/dbraw/zinc/90/31/31/564903131.db2.gz JYCFDFGDUJDFEV-GOEBONIOSA-N 1 0 384.567 2.851 20 0 GFADRO CC[NH+](CC)CCS(=O)(=O)N[C@H](CCO)c1ccc(Cl)c(Cl)c1 ZINC000558483430 564903773 /nfs/dbraw/zinc/90/37/73/564903773.db2.gz QFVHKXDCIMDKPD-OAHLLOKOSA-N 1 0 383.341 2.678 20 0 GFADRO O=C(C[NH2+]C1(c2cccc(Br)c2)CCOCC1)Nc1ccncc1 ZINC000558495616 564904232 /nfs/dbraw/zinc/90/42/32/564904232.db2.gz XLSIIXFVLJDIIS-UHFFFAOYSA-N 1 0 390.281 2.500 20 0 GFADRO CC[N@H+](C)CCNC(=O)c1ccc(-n2nc(C)c(Br)c2C)cc1 ZINC000498743411 564906836 /nfs/dbraw/zinc/90/68/36/564906836.db2.gz FTDHCGCWZWTSFV-UHFFFAOYSA-N 1 0 379.302 2.933 20 0 GFADRO C[C@H]1CC[N@H+](C)CCN1C(=O)CCNC(=O)Nc1ccc(Br)cc1 ZINC000498731406 564906946 /nfs/dbraw/zinc/90/69/46/564906946.db2.gz STIYYALBMUDKQA-ZDUSSCGKSA-N 1 0 397.317 2.513 20 0 GFADRO CCC1(CC)C[N@H+](CCOc2ccc(S(=O)(=O)N(C)C)cc2)CCS1 ZINC000464577333 564911949 /nfs/dbraw/zinc/91/19/49/564911949.db2.gz SMWKLYIBMUIWSN-UHFFFAOYSA-N 1 0 386.583 2.923 20 0 GFADRO COC(=O)c1cc(NC(=O)N2CC[N@H+](C)CC[C@@H]2C)ccc1Br ZINC000498891429 564912066 /nfs/dbraw/zinc/91/20/66/564912066.db2.gz LOTANYZXMCZUPJ-NSHDSACASA-N 1 0 384.274 2.794 20 0 GFADRO C[NH2+][C@H](CC(C)(C)C)C(=O)N(C)CC(=O)Nc1ccccc1Br ZINC000583932256 564913760 /nfs/dbraw/zinc/91/37/60/564913760.db2.gz DAUQURMTZZKWBJ-CQSZACIVSA-N 1 0 384.318 2.870 20 0 GFADRO CS[C@H](CO)[C@@H](C)[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000583934356 564913841 /nfs/dbraw/zinc/91/38/41/564913841.db2.gz CHVYLWACIVDMKI-GLXFQSAKSA-N 1 0 398.750 2.544 20 0 GFADRO CC[NH+](CC)C[C@@H]1CCN(C(=O)c2cc(Br)cnc2N(C)C)C1 ZINC000464655451 564914031 /nfs/dbraw/zinc/91/40/31/564914031.db2.gz GQIKIRDKJQKBAV-ZDUSSCGKSA-N 1 0 383.334 2.714 20 0 GFADRO CC(C)[NH+]1CCN([C@H]2CCN(C(=O)c3ccc(F)c(Br)c3)C2)CC1 ZINC000531583549 564914713 /nfs/dbraw/zinc/91/47/13/564914713.db2.gz ZBONIPDNLYXBGU-HNNXBMFYSA-N 1 0 398.320 2.829 20 0 GFADRO CNC(=O)CCC[N@H+](C)[C@H]1CCCN(c2ccc(Br)c(C)c2)C1=O ZINC000464689615 564915797 /nfs/dbraw/zinc/91/57/97/564915797.db2.gz UOUMHNPECGELHP-INIZCTEOSA-N 1 0 396.329 2.711 20 0 GFADRO O=C(N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000583992297 564916334 /nfs/dbraw/zinc/91/63/34/564916334.db2.gz BVFUAEGBEFDQPW-PZDGAKPMSA-N 1 0 382.291 2.605 20 0 GFADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)Nc1ccc(-c2ccc(Cl)s2)nc1 ZINC000558846108 564916909 /nfs/dbraw/zinc/91/69/09/564916909.db2.gz LTDNDGKMXPIZEG-CYBMUJFWSA-N 1 0 379.917 2.831 20 0 GFADRO COCC(=O)N1CCC([NH2+][C@@H]2CCc3c2cc(Br)cc3F)CC1 ZINC000531717534 564918419 /nfs/dbraw/zinc/91/84/19/564918419.db2.gz WHEDHWSGVGDJRS-MRXNPFEDSA-N 1 0 385.277 2.803 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)N1CCC([C@H](O)C(F)(F)F)CC1)c1cccs1 ZINC000531738977 564919263 /nfs/dbraw/zinc/91/92/63/564919263.db2.gz JOWYIQDIOSYRBM-OCCSQVGLSA-N 1 0 379.448 2.696 20 0 GFADRO CC(C)C[N@@H+]1CC[C@@H](CNc2ccc(S(N)(=O)=O)cc2C(F)(F)F)C1 ZINC000465054797 564922329 /nfs/dbraw/zinc/92/23/29/564922329.db2.gz FQGAVPMIUJZGQT-LBPRGKRZSA-N 1 0 379.448 2.743 20 0 GFADRO C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N1CCC[C@H]2C[N@H+](C)C[C@H]21 ZINC000584287510 564928832 /nfs/dbraw/zinc/92/88/32/564928832.db2.gz OKFHUAQZAZEQOY-SLEUVZQESA-N 1 0 384.307 2.664 20 0 GFADRO CC(C)[N@@H+]1CC[C@H](CNC(=O)Cc2cccc(I)c2)C1 ZINC000532111245 564929723 /nfs/dbraw/zinc/92/97/23/564929723.db2.gz XPSYILAWLOGHKC-CQSZACIVSA-N 1 0 386.277 2.680 20 0 GFADRO CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)c1cncc(I)c1 ZINC000559358689 564931323 /nfs/dbraw/zinc/93/13/23/564931323.db2.gz JMQUQZKCPMNXAG-AWEZNQCLSA-N 1 0 387.265 2.633 20 0 GFADRO C[C@H](CNC(=O)NCC1CC[NH+](C)CC1)Oc1ccc(Br)cc1 ZINC000465873545 564932656 /nfs/dbraw/zinc/93/26/56/564932656.db2.gz WLMFNKHZIVGWCJ-CYBMUJFWSA-N 1 0 384.318 2.857 20 0 GFADRO C[C@H](CNC(=O)NC[C@@H](C)[N@H+](C)C1CC1)Oc1ccc(Br)cc1 ZINC000465905730 564933632 /nfs/dbraw/zinc/93/36/32/564933632.db2.gz ZGMBVIXLENSWHI-CHWSQXEVSA-N 1 0 384.318 2.998 20 0 GFADRO CN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)CC[NH+]2C3CCC2CC3)c1 ZINC000532466651 564938887 /nfs/dbraw/zinc/93/88/87/564938887.db2.gz ZVWSBRISKXJKAS-UHFFFAOYSA-N 1 0 385.917 2.546 20 0 GFADRO CCOC[C@H]1CCC[N@H+](Cc2cc(=O)n3cc(Br)ccc3n2)C1 ZINC000532553584 564941061 /nfs/dbraw/zinc/94/10/61/564941061.db2.gz QTMVMPXCLZBGSS-ZDUSSCGKSA-N 1 0 380.286 2.706 20 0 GFADRO Cc1sc2nc(C)nc(Sc3nnnn3C[C@@H]3CC[N@@H+](C)C3)c2c1C ZINC000532613894 564941647 /nfs/dbraw/zinc/94/16/47/564941647.db2.gz HTRVMOOICZIRAQ-GFCCVEGCSA-N 1 0 375.527 2.706 20 0 GFADRO CC(C)(O)C[N@H+](CC(=O)Nc1ccc(Br)cc1)C1CCOCC1 ZINC000532646091 564941735 /nfs/dbraw/zinc/94/17/35/564941735.db2.gz NBQHHSVDBULUSO-UHFFFAOYSA-N 1 0 385.302 2.640 20 0 GFADRO CCCc1ccc(Cl)c(S(=O)(=O)N2CCC([N@H+](C)CCCO)CC2)c1 ZINC000560029687 564945508 /nfs/dbraw/zinc/94/55/08/564945508.db2.gz XGZFILOAGDGYMP-UHFFFAOYSA-N 1 0 388.961 2.760 20 0 GFADRO O=C(NCCOc1ccc2cc(Br)ccc2c1)NCC[NH+]1CCC1 ZINC000532786726 564945810 /nfs/dbraw/zinc/94/58/10/564945810.db2.gz UFQZVAQHJBBRRK-UHFFFAOYSA-N 1 0 392.297 2.986 20 0 GFADRO CS(=O)(=O)NCC[N@H+](Cc1ccccc1OC(F)(F)F)C1CCCC1 ZINC000500234898 564948936 /nfs/dbraw/zinc/94/89/36/564948936.db2.gz WVVXDEZTOHTFOJ-UHFFFAOYSA-N 1 0 380.432 2.879 20 0 GFADRO C[N@@H+]1CC[C@@H](C(=O)Nc2cccc(Oc3ncc(Br)cn3)c2)C1 ZINC000532915421 564949999 /nfs/dbraw/zinc/94/99/99/564949999.db2.gz GGQCMHSLCMGWNY-LLVKDONJSA-N 1 0 377.242 2.922 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)N1CCN(c2cccc(Br)c2)CC1 ZINC000560115874 564950660 /nfs/dbraw/zinc/95/06/60/564950660.db2.gz CTNOMYKWUCVEDQ-OAHLLOKOSA-N 1 0 393.329 2.517 20 0 GFADRO C[C@H]1CN(CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)C[C@H](C)S1 ZINC000532969568 564951152 /nfs/dbraw/zinc/95/11/52/564951152.db2.gz GAIAOGDEMMJMTI-HOTGVXAUSA-N 1 0 379.595 3.000 20 0 GFADRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1cc(=O)[nH]c2ccc(Br)cc21 ZINC000467035352 564953479 /nfs/dbraw/zinc/95/34/79/564953479.db2.gz RDMMUQVPWOSQRD-MGPLVRAMSA-N 1 0 390.281 2.915 20 0 GFADRO C[NH+](C)CCc1ccc(CNC(=O)c2cc(I)c[nH]2)cc1 ZINC000467052830 564954320 /nfs/dbraw/zinc/95/43/20/564954320.db2.gz BZNCPPKHUXGHIP-UHFFFAOYSA-N 1 0 397.260 2.653 20 0 GFADRO CS(=O)(=O)NC[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(Br)cc1Cl ZINC000500459310 564954494 /nfs/dbraw/zinc/95/44/94/564954494.db2.gz HHOQRTDQLVLSBW-RISCZKNCSA-N 1 0 395.750 2.910 20 0 GFADRO COC(=O)CC[N@H+](CC(=O)Nc1c(F)cc(F)cc1Br)C(C)C ZINC000467129042 564956575 /nfs/dbraw/zinc/95/65/75/564956575.db2.gz AWJIFKPKLVTJNE-UHFFFAOYSA-N 1 0 393.228 2.939 20 0 GFADRO Cc1cc(C[NH2+][C@H]2CCC[C@H]2CNS(C)(=O)=O)sc1Br ZINC000500564658 564956906 /nfs/dbraw/zinc/95/69/06/564956906.db2.gz LWFJYIXPPPDNIM-JQWIXIFHSA-N 1 0 381.361 2.627 20 0 GFADRO C[N@H+](CC[C@@H]1CCCO1)CC(=O)Nc1cccc(I)c1 ZINC000467156053 564957623 /nfs/dbraw/zinc/95/76/23/564957623.db2.gz WONQKOGRYCYJHC-AWEZNQCLSA-N 1 0 388.249 2.731 20 0 GFADRO C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+]C[C@H]1CCC[C@H]1NS(C)(=O)=O ZINC000467359120 564961983 /nfs/dbraw/zinc/96/19/83/564961983.db2.gz AZHBDRDYLCDUFT-XNRPHZJLSA-N 1 0 378.460 2.944 20 0 GFADRO C[NH+](C)CCNS(=O)(=O)c1ccc(-c2ccc(Br)cc2)cc1 ZINC000500795172 564962160 /nfs/dbraw/zinc/96/21/60/564962160.db2.gz YPJSBJQISJRAMJ-UHFFFAOYSA-N 1 0 383.311 2.956 20 0 GFADRO Cc1cc2c(o1)c(C(=O)NCCCN1CC[NH+](C)CC1)ccc2Br ZINC000467429863 564963534 /nfs/dbraw/zinc/96/35/34/564963534.db2.gz QJKJCJXRPYIYIE-UHFFFAOYSA-N 1 0 394.313 2.871 20 0 GFADRO CC[C@@H](C)[N@H+](C)CCNC(=O)c1cccc(F)c1I ZINC000533542505 564964673 /nfs/dbraw/zinc/96/46/73/564964673.db2.gz JEOBGGGZBRBWJS-SNVBAGLBSA-N 1 0 378.229 2.890 20 0 GFADRO C[C@@H]1CC[N@H+](CCNC(=O)c2cccc(F)c2I)C1 ZINC000533537000 564964855 /nfs/dbraw/zinc/96/48/55/564964855.db2.gz JSFRMMUUOBYNRJ-SNVBAGLBSA-N 1 0 376.213 2.502 20 0 GFADRO CN(C)S(=O)(=O)N1CCCC[C@H]1C[NH2+]C1CC(c2ccccc2Cl)C1 ZINC000560533337 564966486 /nfs/dbraw/zinc/96/64/86/564966486.db2.gz CWPLMMSURSMFMZ-GPANFISMSA-N 1 0 385.961 2.837 20 0 GFADRO CC(C)[NH+]1CCN([C@H]2CCN(C(=O)c3cscc3Br)C2)CC1 ZINC000560594361 564969172 /nfs/dbraw/zinc/96/91/72/564969172.db2.gz ZMWSSGLVKGBCIE-ZDUSSCGKSA-N 1 0 386.359 2.751 20 0 GFADRO CCCNC(=O)C[C@@H](C(N)=O)[N@H+](CCC)Cc1ccc(Br)c(C)c1 ZINC000501064082 564969177 /nfs/dbraw/zinc/96/91/77/564969177.db2.gz NVRIVPOESJNYTH-INIZCTEOSA-N 1 0 398.345 2.740 20 0 GFADRO C[C@@H](NC(=O)c1ccc(Br)cc1)C(=O)N(C)CCC[NH+]1CCCC1 ZINC000467675120 564969531 /nfs/dbraw/zinc/96/95/31/564969531.db2.gz XLHAJJOKKUXJMV-CQSZACIVSA-N 1 0 396.329 2.512 20 0 GFADRO CN(CCC[NH+]1CCCC1)C(=O)[C@H]1CC(=O)Nc2ccc(Br)cc21 ZINC000467673872 564969595 /nfs/dbraw/zinc/96/95/95/564969595.db2.gz QKKSELWGXFSNNG-HNNXBMFYSA-N 1 0 394.313 2.819 20 0 GFADRO CC[C@@H](Cc1ccccc1Br)NC(=O)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O ZINC000467715094 564970183 /nfs/dbraw/zinc/97/01/83/564970183.db2.gz LQLWMIDGHVUKIL-UYTSQGDYSA-N 1 0 393.325 2.701 20 0 GFADRO O=S(=O)([C@H]1CCC[N@H+](Cc2csc3ccccc23)C1)N1CCOCC1 ZINC000501122528 564971503 /nfs/dbraw/zinc/97/15/03/564971503.db2.gz QWIJELXNMWZQIU-INIZCTEOSA-N 1 0 380.535 2.528 20 0 GFADRO C[N@H+](CC1CC1)C[C@H]1CCN(S(=O)(=O)c2cccc(Br)c2)C1 ZINC000467795789 564972636 /nfs/dbraw/zinc/97/26/36/564972636.db2.gz CRLGVHDDGPJFQM-CQSZACIVSA-N 1 0 387.343 2.802 20 0 GFADRO C[C@@H](CNC(=O)c1ccc(Cl)c(I)c1)C[NH+](C)C ZINC000560707831 564972863 /nfs/dbraw/zinc/97/28/63/564972863.db2.gz YXOUEGARACHNNR-VIFPVBQESA-N 1 0 380.657 2.872 20 0 GFADRO C[C@@H](CNC(=O)CCC[S@@](=O)c1ccc(Br)cc1)C[NH+](C)C ZINC000560706783 564973050 /nfs/dbraw/zinc/97/30/50/564973050.db2.gz NFDXHKISMBMKLI-WHEQGISXSA-N 1 0 389.359 2.651 20 0 GFADRO CS[C@H]1CN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)C[C@H]1[NH+](C)C ZINC000501416135 564978836 /nfs/dbraw/zinc/97/88/36/564978836.db2.gz KIYPHFHREODRAW-KGLIPLIRSA-N 1 0 383.366 2.801 20 0 GFADRO CS[C@@H]1CN(C(=O)[C@@H](C)Oc2cccc(Br)c2)C[C@@H]1[NH+](C)C ZINC000534093237 564979747 /nfs/dbraw/zinc/97/97/47/564979747.db2.gz SHQGLADBXSCQDK-BYCMXARLSA-N 1 0 387.343 2.720 20 0 GFADRO O=C(CC[N@@H+]1CCCC[C@H]1[C@@H]1CNC(=O)C1)Nc1ccc(Br)cc1 ZINC000534279247 564984644 /nfs/dbraw/zinc/98/46/44/564984644.db2.gz APVGEZOYXYJMFG-BBRMVZONSA-N 1 0 394.313 2.768 20 0 GFADRO CCN(CCC[NH+](C)C)C(=O)NCc1cn2cc(Br)ccc2n1 ZINC000468528684 564985723 /nfs/dbraw/zinc/98/57/23/564985723.db2.gz NUIWPQILJQTPAB-UHFFFAOYSA-N 1 0 382.306 2.580 20 0 GFADRO CCC[N@@H+]1CCC[C@H]1C(=O)NCc1nc(-c2cccc(Br)c2)no1 ZINC000468595444 564987314 /nfs/dbraw/zinc/98/73/14/564987314.db2.gz KQBUOILKKJJYFH-AWEZNQCLSA-N 1 0 393.285 2.990 20 0 GFADRO O=C(N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)N(CCO)Cc1ccc(Cl)c(Cl)c1 ZINC000561223177 564988606 /nfs/dbraw/zinc/98/86/06/564988606.db2.gz FDWQEUZOGAVGGH-RRFJBIMHSA-N 1 0 386.323 2.885 20 0 GFADRO C[NH+](C)CCn1cc(NC(=O)c2ccc(Br)c(F)c2)ccc1=O ZINC000534493833 564989834 /nfs/dbraw/zinc/98/98/34/564989834.db2.gz VHBZUYXVLCKCHO-UHFFFAOYSA-N 1 0 382.233 2.564 20 0 GFADRO Cc1cc(C[NH2+]CCNS(=O)(=O)c2ccc(F)cc2Cl)cc(C)c1O ZINC000561395282 564993715 /nfs/dbraw/zinc/99/37/15/564993715.db2.gz LJSOYLUZAXWWIR-UHFFFAOYSA-N 1 0 386.876 2.870 20 0 GFADRO O=C([C@H]1C[N@@H+]2CCN1CCC2)N1CCC[C@H]1c1cc(F)cc(Br)c1 ZINC000468792468 564994472 /nfs/dbraw/zinc/99/44/72/564994472.db2.gz BNHIXAKXVMKYAZ-DLBZAZTESA-N 1 0 396.304 2.642 20 0 GFADRO O=S(=O)(NCC[NH2+][C@H]1CCCC12CCOCC2)c1ccc(Cl)cc1F ZINC000502326786 564996381 /nfs/dbraw/zinc/99/63/81/564996381.db2.gz OXOXHTVXGPLKRG-INIZCTEOSA-N 1 0 390.908 2.696 20 0 GFADRO C[C@@H](CNS(=O)(=O)Cc1cccc(Br)c1)C[NH+]1CCCCC1 ZINC000561479042 564997168 /nfs/dbraw/zinc/99/71/68/564997168.db2.gz FHXVHDBFDDJEQX-AWEZNQCLSA-N 1 0 389.359 2.991 20 0 GFADRO CC[N@H+](C)CCNC(=O)CCc1nnc(-c2cc(F)ccc2Br)o1 ZINC000502444098 564999135 /nfs/dbraw/zinc/99/91/35/564999135.db2.gz NBKXRSHKLPDHBZ-UHFFFAOYSA-N 1 0 399.264 2.639 20 0 GFADRO CS[C@H]1CN(CC(=O)Nc2ccc(OC(F)(F)F)cc2)C[C@@H]1[NH+](C)C ZINC000534951706 565000499 /nfs/dbraw/zinc/00/04/99/565000499.db2.gz INXDODOBWAJBAE-KBPBESRZSA-N 1 0 377.432 2.501 20 0 GFADRO CC(C)[N@H+](C)CCNS(=O)(=O)c1cc(Br)cc2cccnc21 ZINC000561544908 565001341 /nfs/dbraw/zinc/00/13/41/565001341.db2.gz CHKNRYIAJLRLSX-UHFFFAOYSA-N 1 0 386.315 2.616 20 0 GFADRO COc1ccc(-c2nc(C(=O)N3C[C@@H]([NH+](C)C)[C@@H](SC)C3)cs2)cc1 ZINC000535000592 565002325 /nfs/dbraw/zinc/00/23/25/565002325.db2.gz NYKZPCNJHKKMMG-CVEARBPZSA-N 1 0 377.535 2.936 20 0 GFADRO CC[N@H+](CCNS(=O)(=O)c1cc(Cl)ccc1O[C@H](C)COC)C1CC1 ZINC000469058227 565004113 /nfs/dbraw/zinc/00/41/13/565004113.db2.gz PZIFHQMCVRSNIS-CYBMUJFWSA-N 1 0 390.933 2.516 20 0 GFADRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)C3(c4ccccc4Br)CC3)[C@H]2C1 ZINC000502720423 565004390 /nfs/dbraw/zinc/00/43/90/565004390.db2.gz GMALNCVPCMJASR-DLBZAZTESA-N 1 0 393.325 2.802 20 0 GFADRO C[NH+](C)CCN(Cc1ccccn1)S(=O)(=O)Cc1ccc(F)c(Cl)c1 ZINC000535162952 565007241 /nfs/dbraw/zinc/00/72/41/565007241.db2.gz RVMDGNBZVMVPFE-UHFFFAOYSA-N 1 0 385.892 2.768 20 0 GFADRO Cc1cccc(NCC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)c1Br ZINC000469188285 565008146 /nfs/dbraw/zinc/00/81/46/565008146.db2.gz LPLJPLAXVMOGKA-HNNXBMFYSA-N 1 0 398.345 2.642 20 0 GFADRO COc1cccc(N2CC[C@H]([NH2+][C@H](C)Cn3cc(Br)cn3)C2)c1 ZINC000469181324 565008371 /nfs/dbraw/zinc/00/83/71/565008371.db2.gz YTJROLPCZSRSEQ-HIFRSBDPSA-N 1 0 379.302 2.911 20 0 GFADRO C[C@@H](C[NH+](C)C)NC(=O)c1cnc2c(Cl)cc(Br)cc2c1O ZINC000561770713 565008921 /nfs/dbraw/zinc/00/89/21/565008921.db2.gz PZLZSXOFTWGWJR-QMMMGPOBSA-N 1 0 386.677 2.624 20 0 GFADRO C[C@H](CC[NH+](C)C)NC(=O)N[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000502946258 565009304 /nfs/dbraw/zinc/00/93/04/565009304.db2.gz LBGHCJVPCBDYTO-UKRRQHHQSA-N 1 0 383.334 2.667 20 0 GFADRO Cc1cc(N2CC[NH+](CCCO)CC2)c2cc(Br)cc(F)c2n1 ZINC000535330317 565010585 /nfs/dbraw/zinc/01/05/85/565010585.db2.gz YKQXLQOCDCDFQB-UHFFFAOYSA-N 1 0 382.277 2.949 20 0 GFADRO CC(=O)NCC[N@@H+](Cc1ccc(Br)s1)C[C@H]1CCCOC1 ZINC000503222681 565014926 /nfs/dbraw/zinc/01/49/26/565014926.db2.gz XUOWMTNMZAYNNB-CYBMUJFWSA-N 1 0 375.332 2.875 20 0 GFADRO COCC[N@@H+]1CC[C@@H](NC(=O)c2cc(Br)c(Cl)cc2OC)C1 ZINC000469374012 565015641 /nfs/dbraw/zinc/01/56/41/565015641.db2.gz WALSAAMZWADANU-SNVBAGLBSA-N 1 0 391.693 2.562 20 0 GFADRO COC(=O)[C@H](c1ccc(Cl)c(Cl)c1)N(C)C[C@H](O)C[N@H+](C)C1CC1 ZINC000562035913 565015949 /nfs/dbraw/zinc/01/59/49/565015949.db2.gz BYGGFPMASDKSST-CJNGLKHVSA-N 1 0 375.296 2.594 20 0 GFADRO C[C@H](Cc1ccc(Br)cc1F)[NH2+]C[C@@H]1CCCS(=O)(=O)C1 ZINC000562057938 565017031 /nfs/dbraw/zinc/01/70/31/565017031.db2.gz KMLHMZPGZKEFLE-NEPJUHHUSA-N 1 0 378.307 2.934 20 0 GFADRO CS[C@H]1CN(S(=O)(=O)Cc2c(Cl)cccc2Cl)C[C@@H]1[NH+](C)C ZINC000535620388 565017323 /nfs/dbraw/zinc/01/73/23/565017323.db2.gz IECISBKEBFYYFO-KBPBESRZSA-N 1 0 383.366 2.801 20 0 GFADRO CCS[C@H]1CCC[C@H]1[NH2+]CC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl ZINC000503445268 565019685 /nfs/dbraw/zinc/01/96/85/565019685.db2.gz BXDRRFPTNKXJCN-HIFRSBDPSA-N 1 0 390.958 2.946 20 0 GFADRO Cc1[nH]c(=O)c(Br)cc1C(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000503495711 565021211 /nfs/dbraw/zinc/02/12/11/565021211.db2.gz GPIIHSZLJXLCMI-HNNXBMFYSA-N 1 0 378.270 2.891 20 0 GFADRO CC[NH+]1CCN([C@@H]2CC[N@H+](CCOc3ccc(Br)cc3)C2)CC1 ZINC000503617108 565024962 /nfs/dbraw/zinc/02/49/62/565024962.db2.gz KWXXKMBDPDZAFN-QGZVFWFLSA-N 1 0 382.346 2.540 20 0 GFADRO O=S(=O)(c1ccc(F)cc1Cl)N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000469800933 565027840 /nfs/dbraw/zinc/02/78/40/565027840.db2.gz NURKJWFIYLZWIS-OAHLLOKOSA-N 1 0 390.908 2.745 20 0 GFADRO COC(=O)[C@@H](c1ccc(Cl)cc1Cl)N1CCC[N@@H+]([C@H](C)CO)CC1 ZINC000469828572 565028485 /nfs/dbraw/zinc/02/84/85/565028485.db2.gz VBOLACPBQVYUGO-MLGOLLRUSA-N 1 0 375.296 2.596 20 0 GFADRO COC(=O)[C@H](c1ccc(Cl)cc1Cl)N1CCC[N@@H+]([C@H](C)CO)CC1 ZINC000469828573 565028608 /nfs/dbraw/zinc/02/86/08/565028608.db2.gz VBOLACPBQVYUGO-WBMJQRKESA-N 1 0 375.296 2.596 20 0 GFADRO COC(=O)[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2ccc(Br)c(C)c2)[C@@H]1C ZINC000469996653 565034823 /nfs/dbraw/zinc/03/48/23/565034823.db2.gz PPDCKUDCWYGJMU-YRGRVCCFSA-N 1 0 383.286 2.968 20 0 GFADRO C[C@@H](CNC(=O)N[C@H](CO)c1ccc(Br)cc1)C[NH+]1CCCCC1 ZINC000504089732 565034883 /nfs/dbraw/zinc/03/48/83/565034883.db2.gz XEORGNXXRZRVCG-WMLDXEAASA-N 1 0 398.345 2.904 20 0 GFADRO CC(C)c1cc(Br)ccc1NC(=O)C(=O)NCC[N@@H+]1CC[C@H](C)C1 ZINC000536363504 565034949 /nfs/dbraw/zinc/03/49/49/565034949.db2.gz QJPBJTSYLXDNDP-ZDUSSCGKSA-N 1 0 396.329 2.969 20 0 GFADRO CC[N@H+](CCO)CCNC(=O)N[C@H](c1ccc(Br)cc1)C1CCC1 ZINC000470068273 565037211 /nfs/dbraw/zinc/03/72/11/565037211.db2.gz CABAFHSDTFZDIN-KRWDZBQOSA-N 1 0 398.345 2.904 20 0 GFADRO COc1nc(C)c(Br)cc1C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000470178612 565040831 /nfs/dbraw/zinc/04/08/31/565040831.db2.gz LKRJIIWQUMNQNS-ZDUSSCGKSA-N 1 0 382.302 2.908 20 0 GFADRO C[C@@H]1CN(C(=O)N2CCO[C@H](c3cccc(Br)c3)C2)C[C@@]1(C)C[NH3+] ZINC000562821924 565044824 /nfs/dbraw/zinc/04/48/24/565044824.db2.gz FWHNTUJAXXVJEJ-RPVQJOFSSA-N 1 0 396.329 2.859 20 0 GFADRO C[C@H](Oc1ccc(Cl)cc1Br)C(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000470450311 565046959 /nfs/dbraw/zinc/04/69/59/565046959.db2.gz XLJPWIOFEYVWMM-SDDRHHMPSA-N 1 0 387.705 2.890 20 0 GFADRO COC(=O)c1cc(C[NH2+][C@@H]2CCN(c3ccc(Br)cc3)C2)cn1C ZINC000562901656 565047022 /nfs/dbraw/zinc/04/70/22/565047022.db2.gz SZLOGTLKPORCEQ-OAHLLOKOSA-N 1 0 392.297 2.943 20 0 GFADRO COC[C@@]1(C(=O)N2CCc3sc(-c4csc(C)n4)cc3C2)CC[NH2+]C1 ZINC000562961570 565049054 /nfs/dbraw/zinc/04/90/54/565049054.db2.gz WOOALRHTTGHRKF-GOSISDBHSA-N 1 0 377.535 2.691 20 0 GFADRO C[C@@H](Sc1ccccc1Cl)C(=O)N1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000562963732 565049156 /nfs/dbraw/zinc/04/91/56/565049156.db2.gz CHGFCOSSUYBUGQ-OCCSQVGLSA-N 1 0 379.917 2.735 20 0 GFADRO CO[C@@H]1CCN(C(=O)CSCc2cc(-c3cccs3)on2)[C@H](C[NH3+])C1 ZINC000562977296 565050426 /nfs/dbraw/zinc/05/04/26/565050426.db2.gz FAERKTFNSXXTFE-UONOGXRCSA-N 1 0 381.523 2.601 20 0 GFADRO CCOc1ccc(S(=O)(=O)NCC[N@H+](CC)C2CC2)cc1Br ZINC000470619082 565050936 /nfs/dbraw/zinc/05/09/36/565050936.db2.gz CNDUSVBSLSMSRI-UHFFFAOYSA-N 1 0 391.331 2.610 20 0 GFADRO C[C@@H](NC(=O)N1CC[NH+](C2CCCCC2)CC1)c1ncc(Br)cn1 ZINC000563058391 565053358 /nfs/dbraw/zinc/05/33/58/565053358.db2.gz GUBCFEYGWHYRDS-CYBMUJFWSA-N 1 0 396.333 2.960 20 0 GFADRO CC[NH+]1CCN(CC(=O)N(C)C[C@@H](C)Oc2ccc(Cl)c(Cl)c2)CC1 ZINC000470738116 565054208 /nfs/dbraw/zinc/05/42/08/565054208.db2.gz SLQFXPOXXZOQSQ-CQSZACIVSA-N 1 0 388.339 2.857 20 0 GFADRO CN(CCC[NH+](C)C)C(=O)c1ccc(I)cc1Cl ZINC000537214276 565055082 /nfs/dbraw/zinc/05/50/82/565055082.db2.gz UXEGVLIRQUAJRV-UHFFFAOYSA-N 1 0 380.657 2.968 20 0 GFADRO Cc1sc2nc(C)nc(SCC(=O)N3CC[C@@H]4C[NH2+]C[C@@H]4C3)c2c1C ZINC000563089216 565055289 /nfs/dbraw/zinc/05/52/89/565055289.db2.gz ZORFPHUWJMYHSY-ZIAGYGMSSA-N 1 0 376.551 2.777 20 0 GFADRO CN(C(=O)c1nn(-c2cccc(Br)c2)c2c1CCC2)C1CC([NH3+])C1 ZINC000563116555 565055848 /nfs/dbraw/zinc/05/58/48/565055848.db2.gz IQNGTHIDIWNVLE-UHFFFAOYSA-N 1 0 389.297 2.685 20 0 GFADRO C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)N1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000563116174 565055972 /nfs/dbraw/zinc/05/59/72/565055972.db2.gz AQFUECRIAMERQE-QWHCGFSZSA-N 1 0 387.307 2.975 20 0 GFADRO CS[C@@H]1CN([C@H](C)C(=O)Nc2ccccc2Br)C[C@@H]1[NH+](C)C ZINC000537272810 565056161 /nfs/dbraw/zinc/05/61/61/565056161.db2.gz FUDCTLXBKGEGDN-BYCMXARLSA-N 1 0 386.359 2.754 20 0 GFADRO COc1cc(C[NH2+][C@H]2CO[C@@H](C)C2)cc(I)c1OC ZINC000563121772 565056456 /nfs/dbraw/zinc/05/64/56/565056456.db2.gz FCRZYFBWBXFNSX-GXSJLCMTSA-N 1 0 377.222 2.575 20 0 GFADRO CS(=O)(=O)[C@@H]1CCCC[C@H]1[NH2+][C@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1 ZINC000537406134 565058055 /nfs/dbraw/zinc/05/80/55/565058055.db2.gz DLFMUERNTXQLCN-IUIKQTSFSA-N 1 0 388.892 2.530 20 0 GFADRO O=C(N1CC[C@@H](Oc2cncc(Br)c2)C1)C12CCC[NH+](CCC1)C2 ZINC000635949412 565082884 /nfs/dbraw/zinc/08/28/84/565082884.db2.gz GCMRDBIACKOXGN-OAHLLOKOSA-N 1 0 394.313 2.700 20 0 GFADRO OCC[C@H](C[NH2+]C[C@H](O)COc1cccc(Br)c1)c1ccccc1 ZINC000584598039 565089054 /nfs/dbraw/zinc/08/90/54/565089054.db2.gz CZTVDAJFCQQPDU-AEFFLSMTSA-N 1 0 394.309 2.945 20 0 GFADRO CC[C@H](C)[C@H](O)C[NH2+]C[C@H](O)COc1ccc(Cl)cc1Br ZINC000584598843 565090657 /nfs/dbraw/zinc/09/06/57/565090657.db2.gz NLIXFUKRUXVYIW-VHRBIJSZSA-N 1 0 380.710 2.839 20 0 GFADRO [NH3+]CCC1CCN(S(=O)(=O)c2cccc(Br)c2Cl)CC1 ZINC000584724711 565093536 /nfs/dbraw/zinc/09/35/36/565093536.db2.gz HOLBECMGVLEHDL-UHFFFAOYSA-N 1 0 381.723 2.852 20 0 GFADRO CNC(=O)c1cccc(C[NH2+]C[C@H](O)COc2cc(Cl)ccc2Cl)c1 ZINC000584776246 565097408 /nfs/dbraw/zinc/09/74/08/565097408.db2.gz OEFCKYWSVDYWPB-HNNXBMFYSA-N 1 0 383.275 2.883 20 0 GFADRO CN(Cc1ccccc1Br)C(=O)CC[NH2+]Cc1cnc2n1CCC2 ZINC000657356667 565097611 /nfs/dbraw/zinc/09/76/11/565097611.db2.gz HIFPSXVPOOZONP-UHFFFAOYSA-N 1 0 391.313 2.730 20 0 GFADRO COc1ccc(Br)c(C(=O)NCCC[NH2+]Cc2nc(C)c(C)[nH]2)c1 ZINC000657358341 565100033 /nfs/dbraw/zinc/10/00/33/565100033.db2.gz KVIRABKLQYBKHH-UHFFFAOYSA-N 1 0 395.301 2.707 20 0 GFADRO Cc1ncsc1-c1ccc(C[NH2+][C@@H]2CCC[C@H]2CNS(C)(=O)=O)cc1 ZINC000657459562 565101979 /nfs/dbraw/zinc/10/19/79/565101979.db2.gz XUZUVGJJTYJLGN-DLBZAZTESA-N 1 0 379.551 2.926 20 0 GFADRO COCc1csc(C[NH2+]CCNS(=O)(=O)c2ccc(F)cc2Cl)c1 ZINC000657461310 565102752 /nfs/dbraw/zinc/10/27/52/565102752.db2.gz HISUVNUSJFFMOW-UHFFFAOYSA-N 1 0 392.905 2.755 20 0 GFADRO O=C(NCC12CCC[NH+]1CCC2)c1cnnn1-c1c(Cl)cccc1Cl ZINC000614224542 565102739 /nfs/dbraw/zinc/10/27/39/565102739.db2.gz WGWCVFFUDPQATP-UHFFFAOYSA-N 1 0 380.279 2.932 20 0 GFADRO Cc1c(Br)cncc1C[NH2+][C@@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000657464461 565103513 /nfs/dbraw/zinc/10/35/13/565103513.db2.gz NLYZIGNJQLQXNC-OAHLLOKOSA-N 1 0 381.318 2.922 20 0 GFADRO Cc1c(Br)cncc1C[NH2+][C@H](C)C(=O)NCCc1ccccc1 ZINC000657489826 565104944 /nfs/dbraw/zinc/10/49/44/565104944.db2.gz YGFSUZRNLQZFPG-CQSZACIVSA-N 1 0 376.298 2.990 20 0 GFADRO CO[C@@H]1CCC[C@H]([C@H](CO)[NH2+]Cc2cc3c(cc2Br)OCO3)C1 ZINC000657578628 565110334 /nfs/dbraw/zinc/11/03/34/565110334.db2.gz TXPQBPKKMDVHPH-LNSITVRQSA-N 1 0 386.286 2.834 20 0 GFADRO C[C@H]1CN(CCC[NH2+]CCC(=O)Nc2ccc(Br)cc2)C[C@H](C)O1 ZINC000585810797 565111599 /nfs/dbraw/zinc/11/15/99/565111599.db2.gz JOSJSGNADPKVMQ-GJZGRUSLSA-N 1 0 398.345 2.867 20 0 GFADRO CC[NH+](CC)CCS(=O)(=O)NCCCc1cccc(Br)c1 ZINC000685591776 565112733 /nfs/dbraw/zinc/11/27/33/565112733.db2.gz CETZHOHRIMXCHB-UHFFFAOYSA-N 1 0 377.348 2.643 20 0 GFADRO CC[NH+](CC)CCS(=O)(=O)N1CCc2c(F)cc(Br)cc2C1 ZINC000685593920 565112844 /nfs/dbraw/zinc/11/28/44/565112844.db2.gz HSTBFLCSHPOJDB-UHFFFAOYSA-N 1 0 393.322 2.618 20 0 GFADRO COc1ccc([C@H]([NH2+]CC(=O)N2CCN(C)CC2)C(C)C)c(Br)c1 ZINC000685645738 565117671 /nfs/dbraw/zinc/11/76/71/565117671.db2.gz HLDDBRWFSAEVAO-GOSISDBHSA-N 1 0 398.345 2.518 20 0 GFADRO O=C(Cc1ccc(Br)cc1F)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000614521558 565117659 /nfs/dbraw/zinc/11/76/59/565117659.db2.gz PSUNCPKSYGYUBC-CQSZACIVSA-N 1 0 399.304 2.702 20 0 GFADRO CN(C)S(=O)(=O)CC[NH2+][C@@H](c1ccc(Br)cc1F)C1CC1 ZINC000685666253 565118855 /nfs/dbraw/zinc/11/88/55/565118855.db2.gz JBMDNDBUDOFAOF-CQSZACIVSA-N 1 0 379.295 2.520 20 0 GFADRO CN1C[C@H](NC(=O)N[C@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)CCC1=O ZINC000636819336 565125822 /nfs/dbraw/zinc/12/58/22/565125822.db2.gz SFYQCHTYJBZGGQ-IUODEOHRSA-N 1 0 387.311 2.516 20 0 GFADRO O=C(NC[C@@H]1CCCC[NH2+]1)N1CCO[C@H](c2cccc(Br)c2)C1 ZINC000636874404 565128624 /nfs/dbraw/zinc/12/86/24/565128624.db2.gz SIGPVRBHLWCMQM-HOTGVXAUSA-N 1 0 382.302 2.674 20 0 GFADRO O=S(=O)(NC[C@H]1CCCO1)c1ccc(C[NH2+][C@@H]2CCCSCC2)cc1 ZINC000657856023 565133939 /nfs/dbraw/zinc/13/39/39/565133939.db2.gz JQPROBUJCOMSIJ-IAGOWNOFSA-N 1 0 384.567 2.519 20 0 GFADRO CC[C@H](Cc1ccc(Br)cc1)[NH2+]C1CCN(CC(=O)N(C)C)CC1 ZINC000657879664 565135219 /nfs/dbraw/zinc/13/52/19/565135219.db2.gz MLNQLOAAFCQADF-QGZVFWFLSA-N 1 0 396.373 2.912 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)[C@H]1CSCN1C(=O)C1CCCC1)c1ccsc1 ZINC000588750237 565139341 /nfs/dbraw/zinc/13/93/41/565139341.db2.gz JFQSCSLJGSOMPP-JKSUJKDBSA-N 1 0 381.567 2.559 20 0 GFADRO C[C@H]1COCC[N@@H+]1C1CCN(C(=O)c2cccc(F)c2Br)CC1 ZINC000615089150 565144999 /nfs/dbraw/zinc/14/49/99/565144999.db2.gz WUHVZHSEHWWNKD-LBPRGKRZSA-N 1 0 385.277 2.914 20 0 GFADRO O=C(NCC[NH2+][C@H]1Cc2[nH]c3ccccc3c2C1)c1ccc(Br)cn1 ZINC000658091261 565149624 /nfs/dbraw/zinc/14/96/24/565149624.db2.gz CYNMQQLTBVHGSL-CYBMUJFWSA-N 1 0 399.292 2.812 20 0 GFADRO COc1ccccc1[C@H](C)[NH2+]CCNC(=O)c1ccc(Br)cn1 ZINC000658093944 565150359 /nfs/dbraw/zinc/15/03/59/565150359.db2.gz ZXJBQZWPJJYHDT-LBPRGKRZSA-N 1 0 378.270 2.933 20 0 GFADRO C[C@@H]1[C@@H](C)[N@@H+](C)C[C@H](C)N1C(=O)c1ccc2cncc(Br)c2n1 ZINC000637380093 565153119 /nfs/dbraw/zinc/15/31/19/565153119.db2.gz PQHXXCJXUZYVOH-QJPTWQEYSA-N 1 0 377.286 2.945 20 0 GFADRO COc1ncc(Br)cc1CNC(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000637407014 565154524 /nfs/dbraw/zinc/15/45/24/565154524.db2.gz OUMYVWHHTYECRU-OAHLLOKOSA-N 1 0 397.317 2.623 20 0 GFADRO C[N@@H+]1CCC[C@H]1[C@@H]1COCCN1C(=O)c1cc(-c2ccc(Cl)s2)on1 ZINC000615261897 565155335 /nfs/dbraw/zinc/15/53/35/565155335.db2.gz FDDWIPSYPLMNJA-STQMWFEESA-N 1 0 381.885 2.992 20 0 GFADRO CCN(CCOCCO)C(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000637472691 565158400 /nfs/dbraw/zinc/15/84/00/565158400.db2.gz HEVVGXMPSKDATG-MRXNPFEDSA-N 1 0 392.327 2.637 20 0 GFADRO C[NH+](C)C[C@H](NC(=O)N[C@@H]1Cc2cncn2C1)c1ccc(Cl)c(Cl)c1 ZINC000637474179 565158686 /nfs/dbraw/zinc/15/86/86/565158686.db2.gz XCWFUJJQWJSLCU-WBMJQRKESA-N 1 0 382.295 2.717 20 0 GFADRO C[NH+](C)C[C@H](NC(=O)N1CC[C@@](F)(CO)C1)c1ccc(Cl)c(Cl)c1 ZINC000637471727 565159314 /nfs/dbraw/zinc/15/93/14/565159314.db2.gz CDGGRANXNDQVRR-HOCLYGCPSA-N 1 0 378.275 2.712 20 0 GFADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]CC1(O)CCC(F)(F)CC1 ZINC000658320688 565160629 /nfs/dbraw/zinc/16/06/29/565160629.db2.gz DGIVNIAUPGSPMZ-LLVKDONJSA-N 1 0 379.245 2.529 20 0 GFADRO C[NH+](C)C1CCC2(CC1)CCN(C(=O)Cn1cc(Br)cn1)CC2 ZINC000615440480 565160813 /nfs/dbraw/zinc/16/08/13/565160813.db2.gz LABLPCAJPKHPNX-UHFFFAOYSA-N 1 0 383.334 2.759 20 0 GFADRO O=S(=O)(N[C@H]1CCC[NH2+]C1)c1cc(Cl)c(Cl)cc1Br ZINC000658362890 565161536 /nfs/dbraw/zinc/16/15/36/565161536.db2.gz GRJFWIBXAHYHKI-ZETCQYMHSA-N 1 0 388.114 2.786 20 0 GFADRO CC(C)c1ccc([C@@H]([NH3+])CNS(=O)(=O)c2ncccc2Br)cc1 ZINC000658366774 565162761 /nfs/dbraw/zinc/16/27/61/565162761.db2.gz GPTWUVZTAPOXMW-HNNXBMFYSA-N 1 0 398.326 2.946 20 0 GFADRO CN1C(=O)C[C@H](C(=O)N2CC(C[NH+](C)C)C2)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000615505021 565163204 /nfs/dbraw/zinc/16/32/04/565163204.db2.gz DPXPTWDRPPOHPZ-GUYCJALGSA-N 1 0 384.307 2.533 20 0 GFADRO O=S(=O)(c1cc(Cl)ccc1OC(F)(F)F)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000658374266 565163820 /nfs/dbraw/zinc/16/38/20/565163820.db2.gz LWTMKZPRYLKMIP-MWLCHTKSSA-N 1 0 384.807 2.611 20 0 GFADRO O=S(=O)(c1ccccc1Br)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000658387228 565166994 /nfs/dbraw/zinc/16/69/94/565166994.db2.gz MACKJYYGLAUZAN-CQSZACIVSA-N 1 0 387.343 2.849 20 0 GFADRO O=S(=O)(c1ncccc1C(F)(F)F)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000658386784 565167095 /nfs/dbraw/zinc/16/70/95/565167095.db2.gz VWPOVGCSZZYFMZ-ZDUSSCGKSA-N 1 0 377.432 2.501 20 0 GFADRO COCCOc1c(Cl)cc(S(=O)(=O)NCC2([NH3+])CCCC2)cc1Cl ZINC000658390737 565167160 /nfs/dbraw/zinc/16/71/60/565167160.db2.gz XCENNMMEGXLPBL-UHFFFAOYSA-N 1 0 397.324 2.568 20 0 GFADRO COc1ccc(Br)c(CC(=O)N2CCC[C@]3(CC[N@H+](C)C3)C2)c1 ZINC000615613760 565167734 /nfs/dbraw/zinc/16/77/34/565167734.db2.gz XXLUKIWOFHLLLY-GOSISDBHSA-N 1 0 381.314 2.945 20 0 GFADRO COc1cc(Cl)c(S(=O)(=O)N[C@H]2CC[NH2+]C3(CCC3)C2)cc1Cl ZINC000658402276 565167789 /nfs/dbraw/zinc/16/77/89/565167789.db2.gz LZQXDJFGTHOQHH-JTQLQIEISA-N 1 0 379.309 2.955 20 0 GFADRO C[C@@H]1CCN(S(=O)(=O)c2cccc(Br)c2Cl)[C@H](C[NH3+])C1 ZINC000658399416 565168114 /nfs/dbraw/zinc/16/81/14/565168114.db2.gz ZEXMRQMWRQKCKR-ZJUUUORDSA-N 1 0 381.723 2.850 20 0 GFADRO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000658430812 565168928 /nfs/dbraw/zinc/16/89/28/565168928.db2.gz BRMLQQLLYYPBNX-ZDUSSCGKSA-N 1 0 386.323 2.941 20 0 GFADRO Cc1cc(Br)c(NC(=O)C(=O)NCC[C@@H](C)[NH+](C)C)cc1Cl ZINC000658429747 565169177 /nfs/dbraw/zinc/16/91/77/565169177.db2.gz WCKBJNWZNMIZIU-SNVBAGLBSA-N 1 0 390.709 2.806 20 0 GFADRO CCN(C(=O)C(=O)Nc1cccc(C)c1Br)[C@@H]1CC[N@H+](CC)C1 ZINC000658468401 565171217 /nfs/dbraw/zinc/17/12/17/565171217.db2.gz OAFSOAQDTYDTER-CYBMUJFWSA-N 1 0 382.302 2.639 20 0 GFADRO CCN(C(=O)C(=O)Nc1ccc(Br)cc1C)[C@@H]1CC[N@H+](CC)C1 ZINC000658461687 565171836 /nfs/dbraw/zinc/17/18/36/565171836.db2.gz DCQOCTDODBCYSO-CQSZACIVSA-N 1 0 382.302 2.639 20 0 GFADRO O=C(NCc1ccc(Cl)c(Cl)c1)C(=O)N1CCC(c2ncc[nH]2)CC1 ZINC000658523715 565175233 /nfs/dbraw/zinc/17/52/33/565175233.db2.gz ZHXXVBKJXFVZTM-UHFFFAOYSA-N 1 0 381.263 2.739 20 0 GFADRO C[C@H](CNC(=O)[C@@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1)[N@H+](C)C1CC1 ZINC000589965214 565175333 /nfs/dbraw/zinc/17/53/33/565175333.db2.gz CHHPGQAFFUNHFC-VXGBXAGGSA-N 1 0 384.307 2.945 20 0 GFADRO O=C(NCc1ccc(Cl)c(Cl)c1)C(=O)N1CCC[C@@H](n2ccnc2)C1 ZINC000658532603 565175684 /nfs/dbraw/zinc/17/56/84/565175684.db2.gz XBQACHLNEWBRIX-CYBMUJFWSA-N 1 0 381.263 2.670 20 0 GFADRO O=C(NCc1ccc(Cl)cc1Cl)c1nnn([C@H]2CC[NH2+]C2)c1C(F)F ZINC000637873911 565176086 /nfs/dbraw/zinc/17/60/86/565176086.db2.gz HQELTFRPBNEFOX-JTQLQIEISA-N 1 0 390.221 2.987 20 0 GFADRO CO[C@H]1C[NH2+][C@@](C)(C(=O)Nc2nnc(SCc3ccc(F)cc3)s2)C1 ZINC000637874645 565176185 /nfs/dbraw/zinc/17/61/85/565176185.db2.gz DELSPFAUSUPFET-MLGOLLRUSA-N 1 0 382.486 2.675 20 0 GFADRO CO[C@@H]1C[NH2+][C@@](C)(C(=O)N[C@H]2C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)C1 ZINC000637929215 565176976 /nfs/dbraw/zinc/17/69/76/565176976.db2.gz WIBGSYKGMXJFOU-FTEPDLOASA-N 1 0 376.341 2.779 20 0 GFADRO C[N@@H+](Cc1ccc(Cl)c(S(N)(=O)=O)c1)C[C@H]1OCCc2ccccc21 ZINC000637967640 565178569 /nfs/dbraw/zinc/17/85/69/565178569.db2.gz UKLZAFIIXODJOL-QGZVFWFLSA-N 1 0 380.897 2.733 20 0 GFADRO CC(C)C[NH+]1CCN(C(=O)NCCOc2cccc(Br)c2)CC1 ZINC000615906098 565179585 /nfs/dbraw/zinc/17/95/85/565179585.db2.gz GWPGHWPRPNIICH-UHFFFAOYSA-N 1 0 384.318 2.811 20 0 GFADRO Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)NC(=O)CN1CC[NH2+]CC1 ZINC000637984733 565180673 /nfs/dbraw/zinc/18/06/73/565180673.db2.gz LNLDBYKOJJZLNR-LBPRGKRZSA-N 1 0 378.929 2.854 20 0 GFADRO O=C(CSCc1ccc(Cl)cc1Cl)N[C@@H](CO)C[NH+]1CCCC1 ZINC000590372337 565186221 /nfs/dbraw/zinc/18/62/21/565186221.db2.gz NVTVEOFDGHBEPX-CQSZACIVSA-N 1 0 377.337 2.800 20 0 GFADRO CN(Cc1cnn2cc(Br)cnc12)[C@H]1CCCc2c1cnn2C ZINC000638152581 565186600 /nfs/dbraw/zinc/18/66/00/565186600.db2.gz MKUBTEBTMYKTKL-AWEZNQCLSA-N 1 0 375.274 2.735 20 0 GFADRO O=C(c1scc(Br)c1Br)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000638213476 565189080 /nfs/dbraw/zinc/18/90/80/565189080.db2.gz KPFYPLGVYSEYCP-KNVOCYPGSA-N 1 0 380.105 2.565 20 0 GFADRO COc1ccc(Br)c(CNC(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000616092826 565189484 /nfs/dbraw/zinc/18/94/84/565189484.db2.gz ZTRBXYQHORURBX-KBPBESRZSA-N 1 0 382.302 2.884 20 0 GFADRO CN1CC[C@H]([NH2+]CCCN2CCOCC2)C[C@H]1c1ccc(Br)cc1 ZINC000638284728 565190249 /nfs/dbraw/zinc/19/02/49/565190249.db2.gz CIYSJYLRKMPZCM-OALUTQOASA-N 1 0 396.373 2.896 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+]C[C@H](c2ccccc2Cl)N2CCCC2)o1 ZINC000638297023 565191185 /nfs/dbraw/zinc/19/11/85/565191185.db2.gz FTDKFXVORZAVAY-MRXNPFEDSA-N 1 0 383.901 2.507 20 0 GFADRO COC[C@@]1(C(=O)Nc2ccc(CN(C)C)c(Br)c2)CCCC[NH2+]1 ZINC000638294439 565191273 /nfs/dbraw/zinc/19/12/73/565191273.db2.gz QTPBOHJHHZATCO-QGZVFWFLSA-N 1 0 384.318 2.608 20 0 GFADRO CO[C@@H]1C[NH2+][C@](C)(C(=O)N2CCC(c3ccc(Br)cc3)CC2)C1 ZINC000638300181 565191305 /nfs/dbraw/zinc/19/13/05/565191305.db2.gz NHOJDFJEVYXEJV-WMZOPIPTSA-N 1 0 381.314 2.922 20 0 GFADRO COc1nsc(CNCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1Br ZINC000638320115 565192768 /nfs/dbraw/zinc/19/27/68/565192768.db2.gz WNOKALGSGWBZAI-PHIMTYICSA-N 1 0 378.336 2.503 20 0 GFADRO O=C(c1nnn([C@H]2CC[NH2+]C2)c1C(F)F)N1CCc2sc(Cl)cc2C1 ZINC000638372023 565194216 /nfs/dbraw/zinc/19/42/16/565194216.db2.gz YDDYEHPHYREBBT-VIFPVBQESA-N 1 0 387.843 2.664 20 0 GFADRO O=C(NCc1cc(Cl)cc(Cl)c1)c1nnn([C@H]2CC[NH2+]C2)c1C(F)F ZINC000638404042 565195147 /nfs/dbraw/zinc/19/51/47/565195147.db2.gz XXQWSCWXTXFULW-NSHDSACASA-N 1 0 390.221 2.987 20 0 GFADRO CO[C@H](C[NH2+]C[C@H]1CCN(c2cccc(Br)c2)C1)[C@@H]1CCOC1 ZINC000638417314 565195428 /nfs/dbraw/zinc/19/54/28/565195428.db2.gz CHPNMXIKIUVYSF-IIDMSEBBSA-N 1 0 383.330 2.917 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+]CCc2ccc(Br)s2)s1 ZINC000638424620 565196429 /nfs/dbraw/zinc/19/64/29/565196429.db2.gz BNAMKFHQHNWNOG-UHFFFAOYSA-N 1 0 381.342 2.552 20 0 GFADRO Cc1ccc([C@H](C[NH2+]Cc2ccc(S(N)(=O)=O)s2)N2CCCC2)cc1 ZINC000638454952 565196441 /nfs/dbraw/zinc/19/64/41/565196441.db2.gz PRZQKCLTYOJZBA-KRWDZBQOSA-N 1 0 379.551 2.631 20 0 GFADRO O=C(NCC1CC[NH+](CC2CC2)CC1)C(=O)Nc1ccc(Br)cc1 ZINC000658992355 565198148 /nfs/dbraw/zinc/19/81/48/565198148.db2.gz DMEFZDKTKRRLNZ-UHFFFAOYSA-N 1 0 394.313 2.626 20 0 GFADRO CO[C@]1(C[NH2+]CC2(c3ccc(Br)cc3)CCOCC2)CCOC1 ZINC000638481620 565198384 /nfs/dbraw/zinc/19/83/84/565198384.db2.gz LSUWNGOCMDGILK-SFHVURJKSA-N 1 0 384.314 2.892 20 0 GFADRO COC[C@@]1(C(=O)N[C@H](C)c2cc(F)c(Br)cc2F)CC[NH2+]C1 ZINC000638495413 565199127 /nfs/dbraw/zinc/19/91/27/565199127.db2.gz PAVQHPSWGJYOSO-RFAUZJTJSA-N 1 0 377.229 2.531 20 0 GFADRO O=C(N[C@@H]1CC[NH2+]C12CCC2)c1cnn(-c2cccc(Br)c2)c1 ZINC000638503847 565199195 /nfs/dbraw/zinc/19/91/95/565199195.db2.gz UWONJFDHVARGNB-OAHLLOKOSA-N 1 0 375.270 2.649 20 0 GFADRO COc1cc(NC(=O)N2CCO[C@@H]([C@@H](C)[NH3+])C2)c(Cl)cc1Br ZINC000659046850 565199250 /nfs/dbraw/zinc/19/92/50/565199250.db2.gz BUDSEHLAXAEHQV-AMIZOPFISA-N 1 0 392.681 2.691 20 0 GFADRO O=C(N[C@H]1CC[NH2+]C12CCC2)c1ncc(Br)cc1Br ZINC000638508765 565199367 /nfs/dbraw/zinc/19/93/67/565199367.db2.gz AQHIBNNENDAWBX-JTQLQIEISA-N 1 0 389.091 2.621 20 0 GFADRO C[C@@H](NC(=O)[C@]1(C[NH3+])CCCOC1)c1cc(F)c(Br)cc1F ZINC000638494931 565199550 /nfs/dbraw/zinc/19/95/50/565199550.db2.gz KDPVTHNLVSTYQF-PSLIRLAXSA-N 1 0 377.229 2.660 20 0 GFADRO O=C(N[C@@H]1CC[NH2+]C12CCC2)c1nn(-c2ccc(F)cc2)cc1Br ZINC000638501484 565199567 /nfs/dbraw/zinc/19/95/67/565199567.db2.gz FFNWZULLWQXWBD-CQSZACIVSA-N 1 0 393.260 2.788 20 0 GFADRO COC[C@]1(CNC(=O)Nc2ccc(F)c(Br)c2F)CCC[NH2+]1 ZINC000659047681 565199565 /nfs/dbraw/zinc/19/95/65/565199565.db2.gz JYHAEYKMAAUNSS-CQSZACIVSA-N 1 0 378.217 2.617 20 0 GFADRO C[NH2+]CCOCCNC(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1 ZINC000638578596 565202912 /nfs/dbraw/zinc/20/29/12/565202912.db2.gz PMXFDNPXKOAXEA-UHFFFAOYSA-N 1 0 386.279 2.933 20 0 GFADRO CCO[C@@H]1C[C@]([NH3+])(C(=O)NCc2ccc(Br)c(F)c2F)C1(C)C ZINC000638598613 565204770 /nfs/dbraw/zinc/20/47/70/565204770.db2.gz AHNWNDSDOGMQKI-BZNIZROVSA-N 1 0 391.256 2.876 20 0 GFADRO CN(CCOCC[NH3+])C(=O)Cc1csc(-c2cccc(Br)c2)n1 ZINC000638675419 565206831 /nfs/dbraw/zinc/20/68/31/565206831.db2.gz DVCYESBNPVTWLB-UHFFFAOYSA-N 1 0 398.326 2.549 20 0 GFADRO C[C@H](NC(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)c1ccc(Br)cc1 ZINC000590845289 565207323 /nfs/dbraw/zinc/20/73/23/565207323.db2.gz DSBVARCVVVSPRP-XKQJLSEDSA-N 1 0 396.329 2.751 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2sc3c(c2Br)CNC3)[C@H](C)C1 ZINC000659260844 565209314 /nfs/dbraw/zinc/20/93/14/565209314.db2.gz QSEGRGBDNJEVLF-PWSUYJOCSA-N 1 0 386.359 2.916 20 0 GFADRO COc1nsc(C[NH2+][C@H]2CCN(c3ncccc3F)C2)c1Br ZINC000638764008 565209622 /nfs/dbraw/zinc/20/96/22/565209622.db2.gz NVHJZRNKCBVPBF-VIFPVBQESA-N 1 0 387.278 2.817 20 0 GFADRO C[NH+](C)Cc1ccc(C(=O)N[C@@](C)(CO)c2ccc(Br)cc2)cn1 ZINC000616829248 565210542 /nfs/dbraw/zinc/21/05/42/565210542.db2.gz MKXFPIWUJMPCLF-SFHVURJKSA-N 1 0 392.297 2.543 20 0 GFADRO COC(=O)Cc1csc(NC(=O)N(CC[NH+](C)C)Cc2ccsc2)n1 ZINC000590951030 565211170 /nfs/dbraw/zinc/21/11/70/565211170.db2.gz ATLKZCICLYILGG-UHFFFAOYSA-N 1 0 382.511 2.516 20 0 GFADRO O=C(c1cc(Br)cc2c1OCCO2)N(C1CC1)C1CC[NH2+]CC1 ZINC000659300258 565212111 /nfs/dbraw/zinc/21/21/11/565212111.db2.gz ODVUHDPJXJRCHZ-UHFFFAOYSA-N 1 0 381.270 2.577 20 0 GFADRO O=C(C[C@@H]1CCC[NH2+]1)N1CC2(CCOCC2)c2ccc(Br)cc21 ZINC000638842287 565214034 /nfs/dbraw/zinc/21/40/34/565214034.db2.gz NXRDQNOSCAUNMJ-AWEZNQCLSA-N 1 0 379.298 2.986 20 0 GFADRO Cc1cc(Br)c(CNC(=O)c2nnn(C3CC[NH2+]CC3)c2C)s1 ZINC000659361894 565214524 /nfs/dbraw/zinc/21/45/24/565214524.db2.gz VYYDZBGRODBPRX-UHFFFAOYSA-N 1 0 398.330 2.573 20 0 GFADRO O=C(c1cn([C@@H]2CCC[NH2+]C2)nn1)N1CCc2ccc(Cl)c(Cl)c2C1 ZINC000659338245 565214648 /nfs/dbraw/zinc/21/46/48/565214648.db2.gz PCLWMUFXJXAGHI-GFCCVEGCSA-N 1 0 380.279 2.708 20 0 GFADRO O=C([C@@H]1C[C@@]12CCC[NH2+]C2)N1CCOC[C@H]1c1ccc(Br)cc1 ZINC000659357998 565214774 /nfs/dbraw/zinc/21/47/74/565214774.db2.gz FHEZKIHOTYBHCF-XYJFISCASA-N 1 0 379.298 2.739 20 0 GFADRO [NH3+]CCCn1cc(C(=O)N[C@H]2CCCCc3cc(Br)ccc32)nn1 ZINC000659382788 565215919 /nfs/dbraw/zinc/21/59/19/565215919.db2.gz ATFJLAUAPVWEQI-HNNXBMFYSA-N 1 0 392.301 2.587 20 0 GFADRO CC[N@@H+]1CCCC[C@@H]1C(=O)NCCC(=O)Nc1ccc(Br)cc1 ZINC000591148221 565217511 /nfs/dbraw/zinc/21/75/11/565217511.db2.gz FNFAXHCQKSJNBT-OAHLLOKOSA-N 1 0 382.302 2.768 20 0 GFADRO [NH3+]C1(CNC(=O)N[C@@H]2CCN(c3ccc(Br)cc3)C2)CCCC1 ZINC000659449278 565217684 /nfs/dbraw/zinc/21/76/84/565217684.db2.gz BZUYEEBQBNNQDS-CQSZACIVSA-N 1 0 381.318 2.599 20 0 GFADRO CN1CC[C@H]([NH2+]CC(=O)NCC2CC2)C[C@@H]1c1ccc(Br)cc1 ZINC000638916344 565217878 /nfs/dbraw/zinc/21/78/78/565217878.db2.gz DJHKXRLEGSGGMH-DLBZAZTESA-N 1 0 380.330 2.700 20 0 GFADRO CC1(CNC(=O)N2CCN(c3ccc(Br)cc3)CC2)CC[NH2+]CC1 ZINC000659528263 565219403 /nfs/dbraw/zinc/21/94/03/565219403.db2.gz CWEFQZNALMBWJU-UHFFFAOYSA-N 1 0 395.345 2.670 20 0 GFADRO C[NH+]1CCC(n2cc(NC(=O)[C@@H](N)c3ccccc3Br)cn2)CC1 ZINC000638977714 565219746 /nfs/dbraw/zinc/21/97/46/565219746.db2.gz OOKMDUGMCRMQCQ-INIZCTEOSA-N 1 0 392.301 2.551 20 0 GFADRO C[C@H]([NH2+]C[C@H]1CCCNC1=O)c1ccc(F)c(I)c1 ZINC000591244723 565219954 /nfs/dbraw/zinc/21/99/54/565219954.db2.gz DLAJWTFYVBLUAJ-GXSJLCMTSA-N 1 0 376.213 2.607 20 0 GFADRO [NH3+]C1(CNC(=O)N2CCN(c3ccc(Br)cc3)CC2)CCCC1 ZINC000659575325 565220368 /nfs/dbraw/zinc/22/03/68/565220368.db2.gz MLYRUBUMXVZAEE-UHFFFAOYSA-N 1 0 381.318 2.552 20 0 GFADRO O=C(N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)N1CCOc2cc(Br)ccc2C1 ZINC000659558146 565220503 /nfs/dbraw/zinc/22/05/03/565220503.db2.gz XXHVCRUBXGMMRN-DUVNUKRYSA-N 1 0 394.313 2.741 20 0 GFADRO [NH3+]C1(CNC(=O)N2CCO[C@@H](c3ccc(Br)cc3)C2)CCCC1 ZINC000659570619 565220529 /nfs/dbraw/zinc/22/05/29/565220529.db2.gz JXDIGIHDLPQWKO-OAHLLOKOSA-N 1 0 382.302 2.804 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)N[C@@H]2CCCCc3cc(Br)ccc32)CCCO1 ZINC000659627754 565220908 /nfs/dbraw/zinc/22/09/08/565220908.db2.gz ISBLIOPVJVKWEU-DOTOQJQBSA-N 1 0 396.329 2.976 20 0 GFADRO Cc1cc(I)ccc1NC(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000591271976 565220899 /nfs/dbraw/zinc/22/08/99/565220899.db2.gz TYCCEIIRJICIDT-UHTWSYAYSA-N 1 0 385.249 2.801 20 0 GFADRO CC[C@@H](Cc1ccc(Br)cc1)NC(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000659624511 565221114 /nfs/dbraw/zinc/22/11/14/565221114.db2.gz OEJPGUDXEMWKSJ-JKSUJKDBSA-N 1 0 384.318 2.529 20 0 GFADRO [NH3+][C@H]1CC[C@H](NC(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000639026507 565221061 /nfs/dbraw/zinc/22/10/61/565221061.db2.gz JNWFSYHWFJCFNY-XEZPLFJOSA-N 1 0 384.307 2.984 20 0 GFADRO CC(C)[C@H]([NH3+])CCNC(=O)NC(C)(C)COc1ncccc1Br ZINC000659622856 565221250 /nfs/dbraw/zinc/22/12/50/565221250.db2.gz TYWNWJSPKVLAHW-CYBMUJFWSA-N 1 0 387.322 2.674 20 0 GFADRO O=C(NCC1CC[NH+](C2CCOCC2)CC1)c1scnc1C(F)(F)F ZINC000617110177 565221623 /nfs/dbraw/zinc/22/16/23/565221623.db2.gz GDUMJWBNHQRQGT-UHFFFAOYSA-N 1 0 377.432 2.783 20 0 GFADRO C[C@H]([NH3+])[C@H]1CN(C(=O)NC(CCC(F)(F)F)CCC(F)(F)F)CCO1 ZINC000659605573 565221693 /nfs/dbraw/zinc/22/16/93/565221693.db2.gz MYMXCAOKBLOCBS-GXSJLCMTSA-N 1 0 379.345 2.798 20 0 GFADRO Cc1ccc(CNC(=O)c2cnn([C@H]3CCC[NH2+]C3)c2)cc1Br ZINC000639035540 565221904 /nfs/dbraw/zinc/22/19/04/565221904.db2.gz DSJMNGDBFBIUSQ-HNNXBMFYSA-N 1 0 377.286 2.809 20 0 GFADRO CCOC(=O)c1cc(Br)ccc1NC(=O)NCC1CC[NH2+]CC1 ZINC000591292878 565222682 /nfs/dbraw/zinc/22/26/82/565222682.db2.gz OLUYNLKGBXYYSS-UHFFFAOYSA-N 1 0 384.274 2.747 20 0 GFADRO O=C(NCC[NH2+]C1CC1)N1CCC[C@@H]1c1ccc(I)cc1 ZINC000591359049 565227395 /nfs/dbraw/zinc/22/73/95/565227395.db2.gz GNPPDCCIFYKUAN-OAHLLOKOSA-N 1 0 399.276 2.890 20 0 GFADRO O=C1C[C@@H]([NH2+][C@@H](CO)c2ccc(Br)cc2C(F)(F)F)CCCN1 ZINC000639127155 565227562 /nfs/dbraw/zinc/22/75/62/565227562.db2.gz OQVZIWKCWYHPLQ-GWCFXTLKSA-N 1 0 395.219 2.760 20 0 GFADRO CC[C@H](c1ccc(Br)cc1)N1CC[NH+](C[C@H]2CNC(=O)C2)CC1 ZINC000659877029 565228345 /nfs/dbraw/zinc/22/83/45/565228345.db2.gz BNBZOUOXYCIODL-RHSMWYFYSA-N 1 0 380.330 2.654 20 0 GFADRO COc1nsc(C[NH2+]C[C@@H]2CCC3(CCOCC3)[C@H]2O)c1Br ZINC000639144290 565228595 /nfs/dbraw/zinc/22/85/95/565228595.db2.gz UXZGXDNQLDQYGZ-GWCFXTLKSA-N 1 0 391.331 2.572 20 0 GFADRO Cc1ccc(Br)c(S(=O)(=O)NCC[NH2+][C@H](C)[C@H]2CC2(F)F)c1 ZINC000639166494 565230649 /nfs/dbraw/zinc/23/06/49/565230649.db2.gz LQPUKROYNAAJPX-GHMZBOCLSA-N 1 0 397.285 2.669 20 0 GFADRO CC(C)(C[C@H]1CCC[N@H+](Cc2cnn3cc(Br)cnc23)C1)C(N)=O ZINC000639220182 565233154 /nfs/dbraw/zinc/23/31/54/565233154.db2.gz AJGOROPIUGHBMX-GFCCVEGCSA-N 1 0 394.317 2.605 20 0 GFADRO CN1CC[C@H]([NH2+]C[C@H]2CC[C@@H](CO)O2)C[C@H]1c1ccc(Br)cc1 ZINC000639206184 565234110 /nfs/dbraw/zinc/23/41/10/565234110.db2.gz NVIMJMZEWOLQFV-MHORFTMASA-N 1 0 383.330 2.714 20 0 GFADRO CO[C@H](C[NH2+]C[C@H](CO)Cc1cccc(Br)c1C)[C@H]1CCOC1 ZINC000639237963 565235083 /nfs/dbraw/zinc/23/50/83/565235083.db2.gz PLPUHGLIKCUSOO-UWWQBHOKSA-N 1 0 386.330 2.550 20 0 GFADRO COc1ccc(Br)cc1C[C@H](CO)C[NH2+]Cc1snnc1C ZINC000639237497 565235206 /nfs/dbraw/zinc/23/52/06/565235206.db2.gz HWCNMPQICFGZIL-NSHDSACASA-N 1 0 386.315 2.558 20 0 GFADRO CN1CC[C@H]([NH2+][C@H](CO)[C@H]2CCCOC2)C[C@@H]1c1ccc(Br)cc1 ZINC000639268082 565236417 /nfs/dbraw/zinc/23/64/17/565236417.db2.gz UZMWSHNHJLDCCF-GDAAHCPNSA-N 1 0 397.357 2.962 20 0 GFADRO Cn1cc(C[C@@H]2CCC[C@H]2[NH2+]Cc2cnn3cc(Br)cnc23)cn1 ZINC000639314938 565238644 /nfs/dbraw/zinc/23/86/44/565238644.db2.gz AZJNPAVOQSRAFK-XJKSGUPXSA-N 1 0 389.301 2.726 20 0 GFADRO Brc1ccc2oc(CNC3CC[NH+]([C@@H]4CCOC4)CC3)nc2c1 ZINC000639328484 565239187 /nfs/dbraw/zinc/23/91/87/565239187.db2.gz RMTCGEWYALOCRV-CQSZACIVSA-N 1 0 380.286 2.933 20 0 GFADRO CCC[N@@H+]1CC[C@H](NS(=O)(=O)c2ccc(Cl)cc2Br)C1 ZINC000660026797 565240476 /nfs/dbraw/zinc/24/04/76/565240476.db2.gz JRCLYIAAXBIZIM-NSHDSACASA-N 1 0 381.723 2.865 20 0 GFADRO CCn1nncc1C[NH2+][C@H]1CCN(C)[C@@H](c2ccc(Br)cc2)C1 ZINC000639343996 565241137 /nfs/dbraw/zinc/24/11/37/565241137.db2.gz SFHASQTWSPLQIN-DOTOQJQBSA-N 1 0 378.318 2.986 20 0 GFADRO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)[C@@H](C)c1ccc(Br)cc1 ZINC000617506177 565242635 /nfs/dbraw/zinc/24/26/35/565242635.db2.gz DOWJJCKRFOLDHR-GJZGRUSLSA-N 1 0 384.362 2.941 20 0 GFADRO O=C(Cc1ccc(I)cc1)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000591892247 565243995 /nfs/dbraw/zinc/24/39/95/565243995.db2.gz HOUKJWQQNVQHNB-ZBFHGGJFSA-N 1 0 398.288 2.824 20 0 GFADRO Cc1ccc(F)c(C(=O)N[C@@H](C)CN(C)CCC[NH+](C)C)c1Br ZINC000617507398 565244151 /nfs/dbraw/zinc/24/41/51/565244151.db2.gz VIYZYAQMYBUUTC-ZDUSSCGKSA-N 1 0 388.325 2.898 20 0 GFADRO CCN(C(=O)c1ccn(-c2ccc(Br)cc2)n1)[C@H]1CC[N@H+](C)C1 ZINC000617550377 565245749 /nfs/dbraw/zinc/24/57/49/565245749.db2.gz QKELWHXGVMTREY-HNNXBMFYSA-N 1 0 377.286 2.801 20 0 GFADRO O=C1[C@H](N2CCO[C@H](c3ccc(Br)cc3)C2)CCN1C1CCC1 ZINC000639459205 565246737 /nfs/dbraw/zinc/24/67/37/565246737.db2.gz JPUPKQYRUHYYKX-SJORKVTESA-N 1 0 379.298 2.976 20 0 GFADRO CCN(C[C@@H]1CCN(CC(=O)N(CC)CC(F)(F)F)C1)CC(F)(F)F ZINC000639509968 565248448 /nfs/dbraw/zinc/24/84/48/565248448.db2.gz ROCICQFTVIWDJR-LBPRGKRZSA-N 1 0 377.373 2.603 20 0 GFADRO CCC1([NH+]2CCCC2)CCN(C(=O)Nc2nnc(C(F)(F)F)s2)CC1 ZINC000639487455 565248707 /nfs/dbraw/zinc/24/87/07/565248707.db2.gz ZAENSKVOVCCHPX-UHFFFAOYSA-N 1 0 377.436 3.429 20 0 GFADRO O[C@@H](C[NH2+]C1(c2cccc(Br)c2)CCC1)CC1(O)CCOCC1 ZINC000639526273 565249404 /nfs/dbraw/zinc/24/94/04/565249404.db2.gz CSGHMQAWTJWVQD-MRXNPFEDSA-N 1 0 384.314 2.710 20 0 GFADRO CCN(CC(F)(F)F)C(=O)C[NH2+][C@@H](C)C1CCN(CC(F)(F)F)CC1 ZINC000639628475 565252477 /nfs/dbraw/zinc/25/24/77/565252477.db2.gz HUQNYSKNCKVLKT-NSHDSACASA-N 1 0 377.373 2.650 20 0 GFADRO COCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C)Oc2cccc(Cl)c2Cl)C1 ZINC000592098734 565256093 /nfs/dbraw/zinc/25/60/93/565256093.db2.gz ZBKAIQOXVXYRHX-CHWSQXEVSA-N 1 0 375.296 2.988 20 0 GFADRO O=c1cc([C@@H]2CC[N@@H+](CCOc3ccc(Br)cc3)C2)[nH]c(=O)[nH]1 ZINC000639734340 565258703 /nfs/dbraw/zinc/25/87/03/565258703.db2.gz RYEMYRBXQXVMNQ-LLVKDONJSA-N 1 0 380.242 2.519 20 0 GFADRO C[NH+](C)C[C@]1(O)CCCN(Cc2coc(-c3ccc(Br)cc3)n2)C1 ZINC000639765436 565258793 /nfs/dbraw/zinc/25/87/93/565258793.db2.gz ZIYHADIMHMAMCM-GOSISDBHSA-N 1 0 394.313 2.993 20 0 GFADRO C[NH+](C)C[C@H]1COC2(CCCC2)CN1S(=O)(=O)c1ccc(Cl)s1 ZINC000660149876 565259158 /nfs/dbraw/zinc/25/91/58/565259158.db2.gz GGFGKHHZNXEIHP-LBPRGKRZSA-N 1 0 378.947 2.665 20 0 GFADRO C[C@H]1[NH2+]CC[C@H]1C(=O)NCCSCCOc1cccc(Br)c1 ZINC000592140771 565260754 /nfs/dbraw/zinc/26/07/54/565260754.db2.gz XKORFXQVJMTZFO-IUODEOHRSA-N 1 0 387.343 2.675 20 0 GFADRO COC(=O)[C@@H](CNC(=O)[C@](C)([NH3+])c1ccc(Br)cc1)CC(C)C ZINC000592174282 565261965 /nfs/dbraw/zinc/26/19/65/565261965.db2.gz LBVFRCIJARTCQW-SJKOYZFVSA-N 1 0 385.302 2.575 20 0 GFADRO CN(CCCC[NH+]1CCCCC1)C(=O)Nc1cc(Br)c(=O)n(C)c1 ZINC000639811919 565263183 /nfs/dbraw/zinc/26/31/83/565263183.db2.gz JKDNLUYZLNINDI-UHFFFAOYSA-N 1 0 399.333 2.878 20 0 GFADRO O=S(=O)(NC[C@H]1CCC[N@H+](CC2CC2)C1)c1sccc1Br ZINC000660178589 565263646 /nfs/dbraw/zinc/26/36/46/565263646.db2.gz JHHDSALUAGQCLN-GFCCVEGCSA-N 1 0 393.372 2.911 20 0 GFADRO Nc1nnc([C@H]2CCC[N@H+](CCC(=O)Nc3cc(Cl)ccc3Cl)C2)o1 ZINC000639820807 565263839 /nfs/dbraw/zinc/26/38/39/565263839.db2.gz IYXDASCQEZWQCE-JTQLQIEISA-N 1 0 384.267 3.167 20 0 GFADRO O=S(=O)(NC[C@H]1CCC[N@H+](CC2CC2)C1)c1c[nH]c2nccc(Cl)c12 ZINC000660180177 565263837 /nfs/dbraw/zinc/26/38/37/565263837.db2.gz QONKKOAHQKQOEY-CYBMUJFWSA-N 1 0 382.917 2.617 20 0 GFADRO CC(C)[C@@H]1CN(S(=O)(=O)c2cc(Br)ccc2Cl)CC[NH2+]1 ZINC000660188342 565265105 /nfs/dbraw/zinc/26/51/05/565265105.db2.gz NYJVZPFRMDJSHN-LBPRGKRZSA-N 1 0 381.723 2.721 20 0 GFADRO CCN(C(=O)c1cc(Br)cc2c1OCCO2)[C@H]1CC[N@H+](CC)C1 ZINC000617923990 565267144 /nfs/dbraw/zinc/26/71/44/565267144.db2.gz LIOFNZIEVMJIPI-ZDUSSCGKSA-N 1 0 383.286 2.777 20 0 GFADRO C[C@@H]([NH3+])[C@@H](C)NC(=O)c1cc(I)cc(C(F)(F)F)c1 ZINC000592339805 565270088 /nfs/dbraw/zinc/27/00/88/565270088.db2.gz AGBAGNGKJWBPRH-RNFRBKRXSA-N 1 0 386.155 2.776 20 0 GFADRO O=C(NCc1ccc(Br)s1)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000660280398 565270070 /nfs/dbraw/zinc/27/00/70/565270070.db2.gz POOFAWNXBZDCHQ-GFCCVEGCSA-N 1 0 388.331 2.563 20 0 GFADRO Cn1cc(Br)c(=O)c(NC(=O)N2CCC(C)([NH+]3CCCC3)CC2)c1 ZINC000639970005 565271772 /nfs/dbraw/zinc/27/17/72/565271772.db2.gz HJHBUOPPNLWQQI-UHFFFAOYSA-N 1 0 397.317 2.630 20 0 GFADRO C[N@@H+](Cc1cccc(Br)c1OC[C@H]1CCCO1)C[C@@H]1CNC(=O)C1 ZINC000660380622 565272109 /nfs/dbraw/zinc/27/21/09/565272109.db2.gz MPLJCSGSGKIIPL-DZGCQCFKSA-N 1 0 397.313 2.575 20 0 GFADRO COC(=O)c1cc(F)c(Br)cc1NC(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000592425571 565275669 /nfs/dbraw/zinc/27/56/69/565275669.db2.gz DWCQHVQLLXQKKU-HTQZYQBOSA-N 1 0 376.226 2.622 20 0 GFADRO OC[C@@H]1C[N@H+](C[C@H](O)COc2ccc(Cl)cc2Cl)C[C@H]1C(F)(F)F ZINC000640040639 565275824 /nfs/dbraw/zinc/27/58/24/565275824.db2.gz FADMXAYDGMTNSB-ZMLRMANQSA-N 1 0 388.213 2.836 20 0 GFADRO Fc1ccc(I)c(F)c1CN1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000592432512 565276779 /nfs/dbraw/zinc/27/67/79/565276779.db2.gz OALQVQZEXCYLOX-NOZJJQNGSA-N 1 0 378.204 2.753 20 0 GFADRO C[C@@H](C(=O)N1CCC[C@@H]1c1cccs1)N1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000640055012 565277055 /nfs/dbraw/zinc/27/70/55/565277055.db2.gz PHELPMPPMRGTBB-IGQOVBAYSA-N 1 0 376.444 2.903 20 0 GFADRO CN(C)c1cc[nH+]cc1C(=O)N1CCN(c2ccc(Br)cc2)CC1 ZINC000618180606 565277202 /nfs/dbraw/zinc/27/72/02/565277202.db2.gz GQOYUBUYSZFCGN-UHFFFAOYSA-N 1 0 389.297 2.873 20 0 GFADRO O=S(=O)(C1CC[NH+](CCc2nsc3ccccc32)CC1)N1CCCC1 ZINC000660483892 565277811 /nfs/dbraw/zinc/27/78/11/565277811.db2.gz UEVZZCRMILNEJA-UHFFFAOYSA-N 1 0 379.551 2.729 20 0 GFADRO CC(C)(C)n1nnc(CC[NH2+][C@H]2CCOc3c(Br)cccc32)n1 ZINC000660478354 565278120 /nfs/dbraw/zinc/27/81/20/565278120.db2.gz BADQGYCOVBIYJW-ZDUSSCGKSA-N 1 0 380.290 2.847 20 0 GFADRO C[C@@H](NC(=O)c1cnn2c1[C@@H](C[NH3+])CCC2)c1cccc(Br)c1 ZINC000592486141 565278808 /nfs/dbraw/zinc/27/88/08/565278808.db2.gz SMIJEYFHFGCDKX-DGCLKSJQSA-N 1 0 377.286 2.973 20 0 GFADRO [NH3+]C[C@@H]1CCCn2ncc(C(=O)NCCc3cc(Br)ccc3F)c21 ZINC000592500142 565279621 /nfs/dbraw/zinc/27/96/21/565279621.db2.gz DCGQJBYKKRGRMU-LBPRGKRZSA-N 1 0 395.276 2.593 20 0 GFADRO CN(CC1C[NH+](C)C1)C(=O)[C@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl ZINC000618195296 565279818 /nfs/dbraw/zinc/27/98/18/565279818.db2.gz BWLGIFJPKOEPJF-MRXNPFEDSA-N 1 0 384.307 2.618 20 0 GFADRO [NH3+]C[C@H]1CCCn2ncc(C(=O)NCCCc3cccc(Br)c3)c21 ZINC000592532645 565280739 /nfs/dbraw/zinc/28/07/39/565280739.db2.gz OZMKWDZMYDSTEK-CQSZACIVSA-N 1 0 391.313 2.844 20 0 GFADRO CO[C@@H]1CS(=O)(=O)C[C@@H]1N1CCC[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000660537655 565281641 /nfs/dbraw/zinc/28/16/41/565281641.db2.gz WANLZMACSYFAFE-CWRNSKLLSA-N 1 0 377.428 2.697 20 0 GFADRO COC(=O)[C@H]1C[NH2+]CCCN1C(=O)c1cc(Br)cc2ccccc21 ZINC000592548863 565282255 /nfs/dbraw/zinc/28/22/55/565282255.db2.gz FYXXVTUHXMVNQJ-MRXNPFEDSA-N 1 0 391.265 2.579 20 0 GFADRO O=C(N[C@@H]1CC[NH2+]C2(CCC2)C1)c1ccc(I)c(F)c1 ZINC000592568984 565282331 /nfs/dbraw/zinc/28/23/31/565282331.db2.gz TZQLWGDBIYJVBI-LLVKDONJSA-N 1 0 388.224 2.835 20 0 GFADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N1CCc2c(ccc(Cl)c2Cl)C1 ZINC000592559108 565282437 /nfs/dbraw/zinc/28/24/37/565282437.db2.gz XHIYKVLEGUPNQO-ZDUSSCGKSA-N 1 0 385.339 2.697 20 0 GFADRO CS(=O)(=O)CC[C@@H]1CCCC[N@@H+]1CC[C@H]1Sc2ccccc2NC1=O ZINC000660608970 565285393 /nfs/dbraw/zinc/28/53/93/565285393.db2.gz PCMHJQFRYMWYMI-WMLDXEAASA-N 1 0 382.551 2.779 20 0 GFADRO Cc1nn(C)c(NC(=O)NC[C@@H]2CC[N@@H+]2Cc2ccccc2)c1Br ZINC000640170238 565285810 /nfs/dbraw/zinc/28/58/10/565285810.db2.gz XIKVXYNFPCLSBB-AWEZNQCLSA-N 1 0 392.301 2.887 20 0 GFADRO CSc1cc(C(=O)N(CC[NH+](C)C)CC(=O)N(C)C)c(Cl)cc1Cl ZINC000618306647 565285994 /nfs/dbraw/zinc/28/59/94/565285994.db2.gz CVYSOCYXQUAVLU-UHFFFAOYSA-N 1 0 392.352 2.807 20 0 GFADRO CN1CCC([N@@H+]2CC[C@@H](NC(=O)NCc3cc(Cl)cc(Cl)c3)C2)CC1 ZINC000660709801 565290950 /nfs/dbraw/zinc/29/09/50/565290950.db2.gz BGFPXQYIVIWUKT-MRXNPFEDSA-N 1 0 385.339 2.961 20 0 GFADRO CC(C)[N@@H+]1CC[C@H](N(C)CC(=O)c2c[nH]c3ncc(Br)cc23)C1 ZINC000660759921 565292863 /nfs/dbraw/zinc/29/28/63/565292863.db2.gz KOERWPDTXBGSBY-ZDUSSCGKSA-N 1 0 379.302 2.923 20 0 GFADRO COc1c(Br)ccc(F)c1C(=O)N1C[C@H](SC)[C@@H]([NH+](C)C)C1 ZINC000592780992 565294939 /nfs/dbraw/zinc/29/49/39/565294939.db2.gz UMVAISJASFOZAQ-RYUDHWBXSA-N 1 0 391.306 2.714 20 0 GFADRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)Nc1nn(CC(F)(F)F)cc1Cl ZINC000640294999 565295049 /nfs/dbraw/zinc/29/50/49/565295049.db2.gz OHLWMTIPAJGRAO-NSHDSACASA-N 1 0 381.830 3.437 20 0 GFADRO O=C(Cc1ccc(F)c(Br)c1)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000618373113 565298293 /nfs/dbraw/zinc/29/82/93/565298293.db2.gz BIAUZULTPSCPII-OAHLLOKOSA-N 1 0 399.304 2.844 20 0 GFADRO C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)CCn1cc(Br)cn1 ZINC000618407198 565298917 /nfs/dbraw/zinc/29/89/17/565298917.db2.gz LMNHQHBWZBSQNT-UHFFFAOYSA-N 1 0 397.292 2.765 20 0 GFADRO COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)c1csc(-c2ccc(Cl)s2)n1 ZINC000592962432 565305121 /nfs/dbraw/zinc/30/51/21/565305121.db2.gz FVLXZXIMRMHNJJ-JTQLQIEISA-N 1 0 385.898 2.502 20 0 GFADRO OCC1([C@@H]([NH2+]CCOc2cccc(Br)c2)C2CC2)CCOCC1 ZINC000661081869 565305184 /nfs/dbraw/zinc/30/51/84/565305184.db2.gz HZFMZLCCTKHCFN-KRWDZBQOSA-N 1 0 384.314 2.985 20 0 GFADRO O=C(CC[N@@H+](CCOCCO)C1CCC1)Nc1ccc(Br)cc1 ZINC000661100887 565307297 /nfs/dbraw/zinc/30/72/97/565307297.db2.gz KIMYHFGHMBVYKI-UHFFFAOYSA-N 1 0 385.302 2.641 20 0 GFADRO CCN(C(=O)Nc1nnc(C(F)(F)C(F)(F)F)s1)[C@H]1CC[N@H+](CC)C1 ZINC000640388313 565308041 /nfs/dbraw/zinc/30/80/41/565308041.db2.gz XDWXHTCRXRWZBP-QMMMGPOBSA-N 1 0 387.378 3.140 20 0 GFADRO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)CCn2cc(Br)cn2)C1 ZINC000618685571 565310690 /nfs/dbraw/zinc/31/06/90/565310690.db2.gz BQCJQWGKKYHJEW-KBPBESRZSA-N 1 0 385.350 2.908 20 0 GFADRO CO[C@@H]1CCC[C@H]([C@H](CO)[NH2+]C[C@@H](O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000661220795 565314636 /nfs/dbraw/zinc/31/46/36/565314636.db2.gz PABXQGZUEJRNLB-LWGWVAHUSA-N 1 0 392.323 2.889 20 0 GFADRO C[C@@H](C(=O)N1CC(C)(C)c2ccc(Br)cc21)N1CCN(C)CC1 ZINC000618858013 565319274 /nfs/dbraw/zinc/31/92/74/565319274.db2.gz OMBZKXKPOVQIQC-ZDUSSCGKSA-N 1 0 380.330 2.709 20 0 GFADRO C[C@H](C[NH+]1CCOCC1)C(=O)Nc1ccc(Br)c2ncccc12 ZINC000618877455 565320592 /nfs/dbraw/zinc/32/05/92/565320592.db2.gz QHEBCSSUBMNEKM-GFCCVEGCSA-N 1 0 378.270 2.904 20 0 GFADRO C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)n1cc([C@@H]([NH3+])[C@@H]2CCCO2)nn1 ZINC000640781174 565326959 /nfs/dbraw/zinc/32/69/59/565326959.db2.gz FQFZHBAYHUJZTK-TURNYIBQSA-N 1 0 384.267 2.963 20 0 GFADRO [NH3+]C1CCN(CCc2cn(CCOc3ccc(Cl)cc3Cl)nn2)CC1 ZINC000640797142 565328085 /nfs/dbraw/zinc/32/80/85/565328085.db2.gz WHEIKWKRFCWSSI-UHFFFAOYSA-N 1 0 384.311 2.630 20 0 GFADRO O=C(NC(CCC(F)(F)F)CCC(F)(F)F)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000619126732 565329954 /nfs/dbraw/zinc/32/99/54/565329954.db2.gz MFTRDLGIFYKYMF-GFCCVEGCSA-N 1 0 375.357 2.546 20 0 GFADRO CN(Cc1ccccc1Br)C(=O)C[N@@H+]1CCC[C@@](O)(C2CC2)C1 ZINC000661637175 565331740 /nfs/dbraw/zinc/33/17/40/565331740.db2.gz NFKPYUACKPHBIF-SFHVURJKSA-N 1 0 381.314 2.644 20 0 GFADRO COCC[C@@H]([NH3+])Cc1cn([C@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)nn1 ZINC000640930765 565337730 /nfs/dbraw/zinc/33/77/30/565337730.db2.gz UCSXLIXFXBHALV-GHMZBOCLSA-N 1 0 386.283 2.691 20 0 GFADRO CC[C@@H]([NH2+]CC(=O)N(C)CC(=O)Nc1ccc(Br)cc1C)C1CC1 ZINC000661758676 565337839 /nfs/dbraw/zinc/33/78/39/565337839.db2.gz OSOGZSBVIIDHHK-OAHLLOKOSA-N 1 0 396.329 2.933 20 0 GFADRO C[C@H](c1nc(C2CC2)no1)n1cc([C@@H]([NH3+])c2ccc(Br)cc2)nn1 ZINC000640936723 565338734 /nfs/dbraw/zinc/33/87/34/565338734.db2.gz FXUYSUXWSYHILB-OTYXRUKQSA-N 1 0 389.257 2.958 20 0 GFADRO CC(=O)N(c1nc(Cn2cc(CC[NH3+])nn2)cs1)c1ccc(Cl)cc1 ZINC000640989679 565340048 /nfs/dbraw/zinc/34/00/48/565340048.db2.gz OEGNHKWHUKPYEQ-UHFFFAOYSA-N 1 0 376.873 2.622 20 0 GFADRO CSC[C@H](C)NC(=O)C(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000593551239 565340565 /nfs/dbraw/zinc/34/05/65/565340565.db2.gz XTRIVXOKDSLIMK-AWEZNQCLSA-N 1 0 381.567 2.681 20 0 GFADRO O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)N1Cc2cccc(Br)c2C1 ZINC000661984582 565343965 /nfs/dbraw/zinc/34/39/65/565343965.db2.gz MJCQHQSDUMLNLA-OAHLLOKOSA-N 1 0 394.313 2.728 20 0 GFADRO [NH3+]C[C@@H](O)CCc1cn(CCSc2ccnc3cc(Cl)ccc32)nn1 ZINC000641103480 565344704 /nfs/dbraw/zinc/34/47/04/565344704.db2.gz KRVXBKGXEPUBLE-AWEZNQCLSA-N 1 0 377.901 2.524 20 0 GFADRO CCC[C@H]([NH3+])c1cn([C@H]2CCN(c3cccc(Br)c3)C2=O)nn1 ZINC000641104634 565345754 /nfs/dbraw/zinc/34/57/54/565345754.db2.gz JMAWAJCWZNVWBK-ZFWWWQNUSA-N 1 0 378.274 2.819 20 0 GFADRO Clc1ccc(-n2cc(Cn3cc(C4CC[NH2+]CC4)nn3)nn2)cc1Cl ZINC000641111657 565346938 /nfs/dbraw/zinc/34/69/38/565346938.db2.gz SKAJGFYKEHBLES-UHFFFAOYSA-N 1 0 378.267 2.681 20 0 GFADRO COc1ncc(Br)cc1Cn1cc(CC[NH+]2CCCCC2)nn1 ZINC000641128660 565348679 /nfs/dbraw/zinc/34/86/79/565348679.db2.gz VOLSBJSVBQGZRS-UHFFFAOYSA-N 1 0 380.290 2.521 20 0 GFADRO CC(C)CC1([NH2+]CC(=O)NCC(=O)Nc2ccccc2Br)CC1 ZINC000662068053 565349085 /nfs/dbraw/zinc/34/90/85/565349085.db2.gz IZAMHIAEOIGTCZ-UHFFFAOYSA-N 1 0 382.302 2.672 20 0 GFADRO O=C(CCCN1CCC([N@@H+]2CC[C@H](O)C2)CC1)c1ccc(Br)cc1 ZINC000662151271 565351619 /nfs/dbraw/zinc/35/16/19/565351619.db2.gz HGAZZLVKLVRSTO-SFHVURJKSA-N 1 0 395.341 2.943 20 0 GFADRO CCSc1ccc(Cn2cc(CN(C)CCC[NH3+])nn2)c(Br)c1 ZINC000641186810 565353475 /nfs/dbraw/zinc/35/34/75/565353475.db2.gz LNXVJHPDDLMZKW-UHFFFAOYSA-N 1 0 398.374 2.982 20 0 GFADRO [NH3+][C@@H](c1cn(Cc2ncc(Br)cc2Cl)nn1)C1CCOCC1 ZINC000641206048 565354435 /nfs/dbraw/zinc/35/44/35/565354435.db2.gz KONZBRLABZNPFE-CQSZACIVSA-N 1 0 386.681 2.564 20 0 GFADRO Cc1nc(-c2ccc(C[NH2+]C[C@H](O)CN3C[C@H](C)O[C@@H](C)C3)s2)cs1 ZINC000619741063 565357462 /nfs/dbraw/zinc/35/74/62/565357462.db2.gz NFAHKIVGMBMASG-YDHLFZDLSA-N 1 0 381.567 2.740 20 0 GFADRO COc1ncc(Br)cc1CN1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000662286578 565359343 /nfs/dbraw/zinc/35/93/43/565359343.db2.gz QVCUQPREZNFRSB-APHBMKBZSA-N 1 0 384.318 2.571 20 0 GFADRO N[C@@H](C(=O)NCCc1ccc2c(c1)OCCO2)c1ccccc1Br ZINC000662349340 565361673 /nfs/dbraw/zinc/36/16/73/565361673.db2.gz VMNJVEWLPKWNAG-QGZVFWFLSA-N 1 0 391.265 2.579 20 0 GFADRO N[C@@H](C(=O)N1CCN(c2ccc(F)cc2)CC1)c1ccccc1Br ZINC000662348527 565362121 /nfs/dbraw/zinc/36/21/21/565362121.db2.gz CJOLSNOBVHVRFL-QGZVFWFLSA-N 1 0 392.272 2.937 20 0 GFADRO N[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1Br ZINC000662341497 565362196 /nfs/dbraw/zinc/36/21/96/565362196.db2.gz QMHLJBYGWKXWFA-MAUKXSAKSA-N 1 0 388.309 2.840 20 0 GFADRO O=C(N[C@@H]1CCc2cc(Br)ccc21)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC000662405576 565365862 /nfs/dbraw/zinc/36/58/62/565365862.db2.gz OGXWIDGJLGGFEU-IAQYHMDHSA-N 1 0 375.270 2.666 20 0 GFADRO O=C(NCc1cc(F)cc(Br)c1)c1cc(C2CC[NH2+]CC2)no1 ZINC000662398458 565365959 /nfs/dbraw/zinc/36/59/59/565365959.db2.gz DZAFGZVADAAYEV-UHFFFAOYSA-N 1 0 382.233 2.973 20 0 GFADRO O=C(NCCc1ccc(I)s1)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000593904546 565367106 /nfs/dbraw/zinc/36/71/06/565367106.db2.gz YUXWNKRIKCELTG-NWDGAFQWSA-N 1 0 390.290 2.542 20 0 GFADRO [NH3+]CCC1CCN(C(=O)c2c(F)cccc2I)CC1 ZINC000593916069 565367479 /nfs/dbraw/zinc/36/74/79/565367479.db2.gz DMTLNNWXKNRFIO-UHFFFAOYSA-N 1 0 376.213 2.631 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)[C@H]1[NH2+]CCC1(C)C ZINC000662444111 565368508 /nfs/dbraw/zinc/36/85/08/565368508.db2.gz CQNGBJIRXXEUGH-OAHLLOKOSA-N 1 0 382.302 2.543 20 0 GFADRO CN[C@@H](C(=O)NC[C@@]1([NH+](C)C)CCSC1)c1cccc(Cl)c1Cl ZINC000662489217 565371126 /nfs/dbraw/zinc/37/11/26/565371126.db2.gz KJWOYTRBOMYQKJ-ZBFHGGJFSA-N 1 0 376.353 2.807 20 0 GFADRO O=C(NC1CC1)c1cc(NC(=O)[C@@]2(C(F)(F)F)CC[NH2+]C2)ccc1Cl ZINC000662477332 565371364 /nfs/dbraw/zinc/37/13/64/565371364.db2.gz YLWXACPXVNHPDB-OAHLLOKOSA-N 1 0 375.778 2.713 20 0 GFADRO O=C(N[C@H]1CCN(c2cccc(Cl)c2)C1=O)c1cc2c(s1)CC[NH2+]C2 ZINC000662491446 565371682 /nfs/dbraw/zinc/37/16/82/565371682.db2.gz HCXJNDZYYLKQOD-AWEZNQCLSA-N 1 0 375.881 2.583 20 0 GFADRO COC(=O)Cc1csc(NC(=O)C[NH2+][C@@H](C)C2CCC(F)(F)CC2)n1 ZINC000594045522 565373112 /nfs/dbraw/zinc/37/31/12/565373112.db2.gz ZBNQZRKMDZDCJI-JTQLQIEISA-N 1 0 375.441 2.601 20 0 GFADRO O=C(NCC1CC[NH+](C2CC2)CC1)c1sc2c(c1Br)CNC2 ZINC000662546232 565376296 /nfs/dbraw/zinc/37/62/96/565376296.db2.gz VOADUNDBXGYBOX-UHFFFAOYSA-N 1 0 384.343 2.718 20 0 GFADRO C[C@@H](CC(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1)n1cc(Br)cn1 ZINC000662588172 565378702 /nfs/dbraw/zinc/37/87/02/565378702.db2.gz RHECGYDCVPMUOA-DZGCQCFKSA-N 1 0 383.334 2.835 20 0 GFADRO C[C@@H](CNC(=O)[C@@]1(C(F)(F)F)CC[NH2+]C1)Oc1cccc(Br)c1 ZINC000662633033 565379217 /nfs/dbraw/zinc/37/92/17/565379217.db2.gz XIDSGKMQCBGWRC-IINYFYTJSA-N 1 0 395.219 2.875 20 0 GFADRO CCO[C@@H]1C[C@]([NH3+])(C(=O)NCc2sc(C)cc2Br)C1(C)C ZINC000662667988 565381210 /nfs/dbraw/zinc/38/12/10/565381210.db2.gz FOJFXXJKMBBQFG-DOMZBBRYSA-N 1 0 375.332 2.968 20 0 GFADRO CC(C)[C@@H](NC(=O)c1ccccc1Br)C(=O)NCC1([NH3+])CCCC1 ZINC000662652903 565381320 /nfs/dbraw/zinc/38/13/20/565381320.db2.gz IPNPDSIOVZFRAU-OAHLLOKOSA-N 1 0 396.329 2.591 20 0 GFADRO CS[C@@H]1CN(C(=O)c2ccc(OCC(F)(F)F)o2)C[C@H]1[NH+]1CCCC1 ZINC000594339847 565381717 /nfs/dbraw/zinc/38/17/17/565381717.db2.gz WJMOTJBVCPPJHT-DGCLKSJQSA-N 1 0 378.416 2.873 20 0 GFADRO O=C(c1cc([C@H]2CC[NH2+]C2)n[nH]1)N1CCc2sc(Br)cc2C1 ZINC000662687365 565381922 /nfs/dbraw/zinc/38/19/22/565381922.db2.gz AOWFXIBSIIYAEY-VIFPVBQESA-N 1 0 381.299 2.509 20 0 GFADRO Cc1ccc(NC(=O)C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)c(Br)c1 ZINC000594361872 565382329 /nfs/dbraw/zinc/38/23/29/565382329.db2.gz LEIVILGWDTWKMI-AWEZNQCLSA-N 1 0 394.313 2.783 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C(=O)N1CC2CC1(C[NH3+])C2 ZINC000662681220 565382481 /nfs/dbraw/zinc/38/24/81/565382481.db2.gz WYMVOFNYBIAZDW-UHFFFAOYSA-N 1 0 375.270 2.507 20 0 GFADRO O=C(N[C@@H]1CCN(c2ccc(Br)cc2)C1)C1([NH2+]C2CC2)CCC1 ZINC000662715985 565382889 /nfs/dbraw/zinc/38/28/89/565382889.db2.gz XUYBFABFJOSNKI-OAHLLOKOSA-N 1 0 378.314 2.819 20 0 GFADRO C[NH2+]CCCC(=O)N1CCC(NC(=O)CSc2ccccc2Cl)CC1 ZINC000662745763 565383084 /nfs/dbraw/zinc/38/30/84/565383084.db2.gz LJIWORCFHRPISM-UHFFFAOYSA-N 1 0 383.945 2.539 20 0 GFADRO O=C([C@@H]1CCO[C@H]1c1cncc(Br)c1)N1CCC2(CC[NH2+]C2)CC1 ZINC000662779587 565384297 /nfs/dbraw/zinc/38/42/97/565384297.db2.gz OBAGHVPCLWRJPQ-CVEARBPZSA-N 1 0 394.313 2.524 20 0 GFADRO CC1(C)CC[NH2+][C@H]1C(=O)NC1CCN(Cc2ccc(Br)cc2)CC1 ZINC000662750335 565384541 /nfs/dbraw/zinc/38/45/41/565384541.db2.gz BSYSDTWAARALQC-KRWDZBQOSA-N 1 0 394.357 2.918 20 0 GFADRO Cc1ccc(Br)c(C)c1C(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000620477934 565384611 /nfs/dbraw/zinc/38/46/11/565384611.db2.gz OSXZPWVLSFHUEC-HNNXBMFYSA-N 1 0 381.314 2.737 20 0 GFADRO C[NH+]1CCC2(CCN(S(=O)(=O)c3csc(-c4ccccc4)n3)C2)CC1 ZINC000641589896 565384834 /nfs/dbraw/zinc/38/48/34/565384834.db2.gz ODNHMWLTRMIBME-UHFFFAOYSA-N 1 0 377.535 2.917 20 0 GFADRO O=C([C@@H]1CCc2cc(Br)ccc21)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000620474141 565384934 /nfs/dbraw/zinc/38/49/34/565384934.db2.gz DTDHQYATPBAXTQ-SJLPKXTDSA-N 1 0 393.325 2.537 20 0 GFADRO C[NH2+]CCCC(=O)N1CCC(NC(=O)c2cc(Cl)sc2Cl)CC1 ZINC000662746430 565385021 /nfs/dbraw/zinc/38/50/21/565385021.db2.gz PLSXPHROLYCQCY-UHFFFAOYSA-N 1 0 378.325 2.775 20 0 GFADRO O=C(c1cc(Cl)cc(Br)c1)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000620480363 565385048 /nfs/dbraw/zinc/38/50/48/565385048.db2.gz BMZFOOKTMNRCLF-HNNXBMFYSA-N 1 0 387.705 2.774 20 0 GFADRO C[NH+]1CCC2(CCN(S(=O)(=O)c3cccc4c(Cl)ccnc43)C2)CC1 ZINC000641587963 565385108 /nfs/dbraw/zinc/38/51/08/565385108.db2.gz ZLGMFHJDGBQHNI-UHFFFAOYSA-N 1 0 379.913 2.995 20 0 GFADRO O=C(c1cc(Cl)ccc1Br)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000620486754 565386361 /nfs/dbraw/zinc/38/63/61/565386361.db2.gz MSEIDHKLAQHPJW-ZDUSSCGKSA-N 1 0 387.705 2.774 20 0 GFADRO C[C@H](C(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1)c1ccc(Br)s1 ZINC000620482526 565386370 /nfs/dbraw/zinc/38/63/70/565386370.db2.gz QBNJBSNHIAIHNF-AAEUAGOBSA-N 1 0 387.343 2.672 20 0 GFADRO [NH3+]C[C@H](NC(=O)c1ccc(I)cc1Cl)C(F)(F)F ZINC000594450633 565386427 /nfs/dbraw/zinc/38/64/27/565386427.db2.gz IJAAFVHWMQFMDA-QMMMGPOBSA-N 1 0 392.546 2.564 20 0 GFADRO Cc1c(Br)cccc1CNC(=O)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC000662831049 565387418 /nfs/dbraw/zinc/38/74/18/565387418.db2.gz AXKVGRCLTLJGSX-AWEZNQCLSA-N 1 0 392.301 2.594 20 0 GFADRO O=C(N1CCO[C@@H](c2c(F)cccc2Cl)C1)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662823406 565387599 /nfs/dbraw/zinc/38/75/99/565387599.db2.gz HVCAEXNWRJSJRJ-IUODEOHRSA-N 1 0 380.769 2.921 20 0 GFADRO C[C@H](C[NH+](C)C)[C@H]1CCCCN1S(=O)(=O)c1cnccc1C(F)(F)F ZINC000641625815 565388522 /nfs/dbraw/zinc/38/85/22/565388522.db2.gz XNQNNCXTCRXKLW-TZMCWYRMSA-N 1 0 379.448 2.841 20 0 GFADRO C[NH2+]C[C@@H](C)NC(=O)c1ccc(OCc2cc(C)on2)c(Br)c1 ZINC000662963194 565390667 /nfs/dbraw/zinc/39/06/67/565390667.db2.gz RNAYATCKUKPRDJ-SNVBAGLBSA-N 1 0 382.258 2.662 20 0 GFADRO C[C@@]([NH3+])(C(=O)N1CCO[C@H](CC(F)(F)F)C1)c1ccc(Br)cc1 ZINC000662950527 565390722 /nfs/dbraw/zinc/39/07/22/565390722.db2.gz MJVFHKPCMGXJSL-OCCSQVGLSA-N 1 0 395.219 2.803 20 0 GFADRO O=C(NC[C@@H]1CCC[N@H+](CC2CC2)C1)c1sc2c(c1Br)CNC2 ZINC000663004865 565391831 /nfs/dbraw/zinc/39/18/31/565391831.db2.gz SFSWEFPBSRTJFW-LBPRGKRZSA-N 1 0 398.370 2.966 20 0 GFADRO O=C(NCC1CC[NH+](CC2CC2)CC1)c1sc2c(c1Br)CNC2 ZINC000662983908 565392476 /nfs/dbraw/zinc/39/24/76/565392476.db2.gz YICQRHARKCNLST-UHFFFAOYSA-N 1 0 398.370 2.966 20 0 GFADRO CN(CCCC[NH+]1CCCCC1)C(=O)c1nc2ccc(Br)cn2n1 ZINC000641766585 565398378 /nfs/dbraw/zinc/39/83/78/565398378.db2.gz BTQYLLJDTYAITB-UHFFFAOYSA-N 1 0 394.317 2.830 20 0 GFADRO FC(F)(F)c1cscc1C[NH2+][C@H]1CCCN(CCN2CCOCC2)C1 ZINC000641787710 565399378 /nfs/dbraw/zinc/39/93/78/565399378.db2.gz YPEOXJNBNSQXCR-HNNXBMFYSA-N 1 0 377.476 2.653 20 0 GFADRO COC[C@]1(CNC(=O)N2CC[C@@H](Sc3cccc(Cl)c3)C2)CCC[NH2+]1 ZINC000641812468 565399927 /nfs/dbraw/zinc/39/99/27/565399927.db2.gz MHGWKJQZGAYBMN-SJLPKXTDSA-N 1 0 383.945 2.985 20 0 GFADRO CC[C@@H]1CN(C(=O)COc2ccc(Br)cc2C(C)=O)C[C@H](C)[NH2+]1 ZINC000620898179 565400791 /nfs/dbraw/zinc/40/07/91/565400791.db2.gz QVWQNMQTPNNKHV-SMDDNHRTSA-N 1 0 383.286 2.629 20 0 GFADRO CN(C)c1cc(Br)cc(C(=O)N2CCO[C@H](CCC[NH+](C)C)C2)c1 ZINC000620978259 565403504 /nfs/dbraw/zinc/40/35/04/565403504.db2.gz HLUJAKRFVMJTKI-QGZVFWFLSA-N 1 0 398.345 2.698 20 0 GFADRO Cc1cc(C(=O)Nc2cc(Br)ccc2N2CC[NH+](C)CC2)on1 ZINC000620983511 565404363 /nfs/dbraw/zinc/40/43/63/565404363.db2.gz AVKXRAAQLCGITM-UHFFFAOYSA-N 1 0 379.258 2.750 20 0 GFADRO CN([C@@H](C[NH3+])C(F)(F)F)S(=O)(=O)c1ccc(Br)c(Cl)c1 ZINC000663311001 565411088 /nfs/dbraw/zinc/41/10/88/565411088.db2.gz KNRKBVVMEGXCCH-VIFPVBQESA-N 1 0 395.628 2.613 20 0 GFADRO C[C@H](c1ccccc1)[C@H](O)C[NH2+]C[C@H](O)COc1ccc(Br)cc1 ZINC000663378120 565416669 /nfs/dbraw/zinc/41/66/69/565416669.db2.gz OWABACPCCBGNCP-DKSSEZFCSA-N 1 0 394.309 2.943 20 0 GFADRO Brc1ccccc1-n1nnnc1CN1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000643061802 565421168 /nfs/dbraw/zinc/42/11/68/565421168.db2.gz XLXIYVUEKRVNNW-GDBMZVCRSA-N 1 0 391.317 2.531 20 0 GFADRO Cc1nc(C)c(Br)c(N2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)n1 ZINC000663486934 565422522 /nfs/dbraw/zinc/42/25/22/565422522.db2.gz WLWKEPCMPRHKBI-KBPBESRZSA-N 1 0 396.377 2.851 20 0 GFADRO Cc1oc(-c2ccc(Cl)c(Cl)c2)nc1C(=O)N1CCOC2(C[NH2+]C2)C1 ZINC000663494206 565423319 /nfs/dbraw/zinc/42/33/19/565423319.db2.gz RYJMQEJQDRQMGV-UHFFFAOYSA-N 1 0 382.247 2.771 20 0 GFADRO OC1CC[NH+](Cc2ccc(CNc3cc(Br)cnn3)cc2)CC1 ZINC000663549435 565425948 /nfs/dbraw/zinc/42/59/48/565425948.db2.gz STLJPHAHWMUIIC-UHFFFAOYSA-N 1 0 377.286 2.808 20 0 GFADRO CCOC(=O)c1cc2cc(S(=O)(=O)NCC[C@@H](C)[NH+](C)C)ccc2s1 ZINC000594820353 565426140 /nfs/dbraw/zinc/42/61/40/565426140.db2.gz CLYSOERIEUNOMI-GFCCVEGCSA-N 1 0 384.523 2.697 20 0 GFADRO CC(C)[NH2+]CCCNC(=O)C(=O)Nc1ccc(OC(F)(F)F)cc1Cl ZINC000663602586 565428137 /nfs/dbraw/zinc/42/81/37/565428137.db2.gz AUCAWMBFQFTNBF-UHFFFAOYSA-N 1 0 381.782 2.681 20 0 GFADRO CCCC[C@H](C[NH3+])NC(=O)C(=O)Nc1ccc(OC(F)(F)F)cc1Cl ZINC000663604873 565428272 /nfs/dbraw/zinc/42/82/72/565428272.db2.gz NYURWAJLMQZQBS-SECBINFHSA-N 1 0 381.782 2.811 20 0 GFADRO Cc1nc(C)c(Br)c(NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)n1 ZINC000663654756 565430716 /nfs/dbraw/zinc/43/07/16/565430716.db2.gz OMABWEGTYAVWAY-GOSISDBHSA-N 1 0 391.313 2.905 20 0 GFADRO O=S(=O)(c1cc(F)ccc1OC(F)F)N1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000643426606 565433333 /nfs/dbraw/zinc/43/33/33/565433333.db2.gz MPYVJJSDKAZEJZ-CHWSQXEVSA-N 1 0 378.416 2.722 20 0 GFADRO CC[C@@H](N[C@@H]1CC[NH2+]C2(CCC2)C1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000643547468 565435739 /nfs/dbraw/zinc/43/57/39/565435739.db2.gz FVXVKCLJCYNOKM-GDBMZVCRSA-N 1 0 385.961 2.964 20 0 GFADRO CCC[C@@H](O)[C@H](CO)[NH2+]Cc1cc(Cl)ccc1I ZINC000594945630 565436845 /nfs/dbraw/zinc/43/68/45/565436845.db2.gz GYARSUORJACSLD-QWHCGFSZSA-N 1 0 383.657 2.556 20 0 GFADRO COC[C@@H](CC[NH2+]Cc1c(F)ccc(I)c1F)OC ZINC000594955474 565436947 /nfs/dbraw/zinc/43/69/47/565436947.db2.gz PDXJAVZUSDRQQJ-SECBINFHSA-N 1 0 385.192 2.711 20 0 GFADRO CCOc1c(Br)cc(C(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)cc1OC ZINC000621688458 565437418 /nfs/dbraw/zinc/43/74/18/565437418.db2.gz VGDJOJQRYKVKOM-PXAZEXFGSA-N 1 0 383.286 2.810 20 0 GFADRO COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]C[C@@H](CO)Cc1cccc(Br)c1C ZINC000594953477 565437542 /nfs/dbraw/zinc/43/75/42/565437542.db2.gz HIKBZIFIECDIRY-OCVGTWLNSA-N 1 0 384.314 2.696 20 0 GFADRO CCCc1ccc(C[NH+]2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)s1 ZINC000621711575 565438121 /nfs/dbraw/zinc/43/81/21/565438121.db2.gz ZTIGSPWRZSBGTA-UHFFFAOYSA-N 1 0 379.551 2.670 20 0 GFADRO C[N@@H+]1CCC[C@H](CNC(=O)N[C@H]2CCOc3ccc(Br)cc32)C1 ZINC000594975670 565438528 /nfs/dbraw/zinc/43/85/28/565438528.db2.gz AOWVRSJJSIWIFK-DOMZBBRYSA-N 1 0 382.302 2.914 20 0 GFADRO C[S@](=O)[C@H]1CCC[C@H]([NH2+]Cc2cc(Br)c3c(c2)OCCO3)C1 ZINC000594963756 565438956 /nfs/dbraw/zinc/43/89/56/565438956.db2.gz XSWDCVCNOFHNCN-MZFXBISCSA-N 1 0 388.327 3.000 20 0 GFADRO C[C@H](CN1CCCC1=O)[NH2+][C@H]1CCc2ccc(I)cc21 ZINC000595017713 565442186 /nfs/dbraw/zinc/44/21/86/565442186.db2.gz NLNGJRBAOFKSQJ-ABAIWWIYSA-N 1 0 384.261 2.879 20 0 GFADRO C[C@H](CN1CCOCC1)[NH2+][C@H]1CCc2ccc(I)cc21 ZINC000595010188 565442735 /nfs/dbraw/zinc/44/27/35/565442735.db2.gz IOQBRMKABAYBTJ-WBMJQRKESA-N 1 0 386.277 2.589 20 0 GFADRO OCC[C@]1(C[NH2+][C@@H]2CCc3ccc(I)cc32)CCOC1 ZINC000595022745 565443811 /nfs/dbraw/zinc/44/38/11/565443811.db2.gz VFCLNIBQBBEVRR-HZPDHXFCSA-N 1 0 387.261 2.657 20 0 GFADRO COCCOC[C@H](C)[NH2+][C@@H]1CCc2ccc(I)cc21 ZINC000595029498 565444501 /nfs/dbraw/zinc/44/45/01/565444501.db2.gz VQJNNVKDJTZYJN-XHDPSFHLSA-N 1 0 375.250 2.920 20 0 GFADRO CC1(NC(=O)NCC(F)(F)c2ccc(Br)cc2)CC[NH2+]CC1 ZINC000621851426 565445229 /nfs/dbraw/zinc/44/52/29/565445229.db2.gz SVSARQSYZZEFSM-UHFFFAOYSA-N 1 0 376.245 2.982 20 0 GFADRO O=C(c1cc2c(cc1Br)OCO2)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000621861214 565445989 /nfs/dbraw/zinc/44/59/89/565445989.db2.gz UKQOFVZLILLBEU-GFCCVEGCSA-N 1 0 381.270 2.878 20 0 GFADRO C[NH+](C)CCN(Cc1cccs1)C(=O)c1cc(Br)c[nH]c1=O ZINC000621905459 565448753 /nfs/dbraw/zinc/44/87/53/565448753.db2.gz BFFSLAHZSCKIKY-UHFFFAOYSA-N 1 0 384.299 2.815 20 0 GFADRO COC(=O)c1ccc(Cl)cc1S(=O)(=O)N1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000595118762 565450006 /nfs/dbraw/zinc/45/00/06/565450006.db2.gz UTJDDEWKJXVISL-IUODEOHRSA-N 1 0 388.917 2.655 20 0 GFADRO CC(C)(C)C1=CC[N@H+](CCNC(=O)c2cc(Br)c[nH]c2=O)CC1 ZINC000621959179 565451814 /nfs/dbraw/zinc/45/18/14/565451814.db2.gz MJBCJDOCCMCHPS-UHFFFAOYSA-N 1 0 382.302 2.958 20 0 GFADRO C[C@H](NC(=O)c1cc(Br)c[nH]c1=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000621957386 565452189 /nfs/dbraw/zinc/45/21/89/565452189.db2.gz SGEDZSWUNVEREU-NHYWBVRUSA-N 1 0 378.270 2.971 20 0 GFADRO [NH3+][C@]12CCC[C@H]1CN(S(=O)(=O)c1cc(Cl)cc(Br)c1)C2 ZINC000622014559 565454991 /nfs/dbraw/zinc/45/49/91/565454991.db2.gz HLUUBOSETVCLKN-ZANVPECISA-N 1 0 379.707 2.604 20 0 GFADRO CN(CCOc1ccc(Br)cc1)C(=O)[C@H]1C[NH2+]CCC1(F)F ZINC000644009033 565455161 /nfs/dbraw/zinc/45/51/61/565455161.db2.gz NNMGONGCCLWGBY-CYBMUJFWSA-N 1 0 377.229 2.531 20 0 GFADRO [NH3+][C@@]12CCC[C@H]1CN(S(=O)(=O)c1cccc(Br)c1Cl)C2 ZINC000622015385 565455532 /nfs/dbraw/zinc/45/55/32/565455532.db2.gz VLZMPCQQNWOOGI-TVQRCGJNSA-N 1 0 379.707 2.604 20 0 GFADRO [NH3+][C@]12CCC[C@H]1CN(S(=O)(=O)c1c(Cl)cccc1Br)C2 ZINC000622014891 565455576 /nfs/dbraw/zinc/45/55/76/565455576.db2.gz MJFXSRNCRFMSBQ-ZANVPECISA-N 1 0 379.707 2.604 20 0 GFADRO Cc1nn(Cc2cccc(Br)c2)c(C)c1C(=O)N(C)CCC[NH3+] ZINC000644067182 565455983 /nfs/dbraw/zinc/45/59/83/565455983.db2.gz HVYLZVLBLONOPY-UHFFFAOYSA-N 1 0 379.302 2.732 20 0 GFADRO CC(=O)NCc1ccc(-c2nc(NC(=O)[C@H]3[NH2+]CC3(C)C)sc2C)s1 ZINC000644043633 565456357 /nfs/dbraw/zinc/45/63/57/565456357.db2.gz MHUDRMQMDTZWQA-CQSZACIVSA-N 1 0 378.523 2.753 20 0 GFADRO COc1ccc(NC(=O)N(C)CC(C)(C)[NH3+])c(I)c1 ZINC000595231950 565457111 /nfs/dbraw/zinc/45/71/11/565457111.db2.gz KRHBODQLBNCFQQ-UHFFFAOYSA-N 1 0 377.226 2.501 20 0 GFADRO O=C(NC[C@H]1CCCC[NH2+]1)Nc1ccc(I)cc1F ZINC000595235570 565457120 /nfs/dbraw/zinc/45/71/20/565457120.db2.gz UEMXPQWVFBXTNJ-SNVBAGLBSA-N 1 0 377.201 2.694 20 0 GFADRO CC(C)C[C@@H](C[NH3+])NC(=O)[C@@H](NC(=O)c1ccccc1Br)C(C)C ZINC000644088605 565457636 /nfs/dbraw/zinc/45/76/36/565457636.db2.gz DDZHKZPTDAGBMS-BBRMVZONSA-N 1 0 398.345 2.693 20 0 GFADRO CCN(C(=O)N[C@H]1CCN(c2cccc(Br)c2)C1)[C@@H]1CC[N@H+](C)C1 ZINC000664771122 565477821 /nfs/dbraw/zinc/47/78/21/565477821.db2.gz BMFWHAVTZUIPGC-DOTOQJQBSA-N 1 0 395.345 2.763 20 0 GFADRO CCN(C(=O)NCc1cc(F)c(F)cc1Br)[C@@H]1CC[N@H+](C)C1 ZINC000664886621 565483250 /nfs/dbraw/zinc/48/32/50/565483250.db2.gz KOMWKWNJNJRZML-LLVKDONJSA-N 1 0 376.245 2.963 20 0 GFADRO COc1cc(CC[NH2+]C[C@H](O)COc2cccc(Br)c2)ccc1O ZINC000644601990 565483869 /nfs/dbraw/zinc/48/38/69/565483869.db2.gz HCOMORVURXGFKN-HNNXBMFYSA-N 1 0 396.281 2.735 20 0 GFADRO C[C@@H](C[C@@H]1CCOC1)[NH2+]CCS(=O)(=O)c1cccc(Br)c1 ZINC000644593530 565484125 /nfs/dbraw/zinc/48/41/25/565484125.db2.gz DHGHQPNDGPGKLD-STQMWFEESA-N 1 0 376.316 2.628 20 0 GFADRO O=S1(=O)CCC(CC[NH2+]C[C@@H](O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000644612452 565485454 /nfs/dbraw/zinc/48/54/54/565485454.db2.gz GGZIMTGMBMZWCJ-CYBMUJFWSA-N 1 0 396.336 2.538 20 0 GFADRO Cc1ccc(Cl)c(OC[C@H](O)C[NH2+]Cc2ccc(S(C)(=O)=O)s2)c1 ZINC000644630968 565486470 /nfs/dbraw/zinc/48/64/70/565486470.db2.gz MQCUGSHBMIOLTJ-GFCCVEGCSA-N 1 0 389.926 2.643 20 0 GFADRO CCNC(=O)C1(C[NH2+]C[C@H](O)COc2ccc(Cl)c(Cl)c2)CCC1 ZINC000644632154 565486693 /nfs/dbraw/zinc/48/66/93/565486693.db2.gz XVLDAPLICDSBPV-LBPRGKRZSA-N 1 0 375.296 2.629 20 0 GFADRO O[C@H](C[NH2+]CCc1ccc2c[nH]nc2c1)COc1ccc(Br)cc1 ZINC000644642162 565487437 /nfs/dbraw/zinc/48/74/37/565487437.db2.gz LZIOMJPJVMKSPD-MRXNPFEDSA-N 1 0 390.281 2.897 20 0 GFADRO CC[C@@H]1C[C@@H]([NH2+]CCS(=O)(=O)c2cccc(Br)c2)CCO1 ZINC000644674325 565488596 /nfs/dbraw/zinc/48/85/96/565488596.db2.gz QLBCZCMGAOCXKL-UONOGXRCSA-N 1 0 376.316 2.770 20 0 GFADRO C[NH+](C)Cc1cc(-c2ccc(S(=O)(=O)N3CCOCC3)s2)ccc1F ZINC000665199729 565492178 /nfs/dbraw/zinc/49/21/78/565492178.db2.gz VAWMAWUZNISVPO-UHFFFAOYSA-N 1 0 384.498 2.637 20 0 GFADRO C[N@@H+]1CC[C@@]2(CCN(C(=O)c3cnc4ncc(Br)cc4c3)C2)C1 ZINC000644765811 565494103 /nfs/dbraw/zinc/49/41/03/565494103.db2.gz YSJAMQMZMLKNIY-QGZVFWFLSA-N 1 0 375.270 2.560 20 0 GFADRO COCCC[C@@H](NCc1nc(C[NH3+])cc(=O)[nH]1)c1ccc(Br)cc1 ZINC000665292099 565496023 /nfs/dbraw/zinc/49/60/23/565496023.db2.gz SIXXQXRSTZNSQC-OAHLLOKOSA-N 1 0 395.301 2.661 20 0 GFADRO COC(=O)[C@H]1C[NH2+]CCCN1Cc1cc(Cl)c(C)cc1Br ZINC000595895700 565496466 /nfs/dbraw/zinc/49/64/66/565496466.db2.gz SQHXYSPTRJHNNY-CQSZACIVSA-N 1 0 375.694 2.748 20 0 GFADRO CCn1cnnc1CCNc1cc[nH+]c2cc(OC)c(Br)cc12 ZINC000644871371 565500348 /nfs/dbraw/zinc/50/03/48/565500348.db2.gz HZYUZEQBELNOHS-UHFFFAOYSA-N 1 0 376.258 2.694 20 0 GFADRO O=C(NCCc1ccc(I)cc1)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000595948125 565500981 /nfs/dbraw/zinc/50/09/81/565500981.db2.gz SJDFZCXZJRKRNM-JKSUJKDBSA-N 1 0 398.288 2.586 20 0 GFADRO C[N@H+](CC(=O)N1CCc2ccc(F)c(Br)c2C1)[C@@H]1CCSC1 ZINC000623262926 565501517 /nfs/dbraw/zinc/50/15/17/565501517.db2.gz WABWPQYWLPCAQA-GFCCVEGCSA-N 1 0 387.318 2.910 20 0 GFADRO O=C(NCc1cc(Cl)ccc1I)[C@@H]1CCC[NH2+]CC1 ZINC000595963413 565502398 /nfs/dbraw/zinc/50/23/98/565502398.db2.gz RPLFNBXVMGODJT-SNVBAGLBSA-N 1 0 392.668 2.951 20 0 GFADRO Brc1sccc1C[NH2+]C[C@@]1(N2CCOCC2)CCSC1 ZINC000623372550 565506044 /nfs/dbraw/zinc/50/60/44/565506044.db2.gz ZQDCCUGXVOEEMM-AWEZNQCLSA-N 1 0 377.373 2.808 20 0 GFADRO Cc1cc(CNC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)ncc1Br ZINC000623355438 565506129 /nfs/dbraw/zinc/50/61/29/565506129.db2.gz NLQVQVYWGZHIKF-GOSISDBHSA-N 1 0 390.325 2.661 20 0 GFADRO Cn1cc(Br)c(C(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)n1 ZINC000645009334 565506887 /nfs/dbraw/zinc/50/68/87/565506887.db2.gz UQENQTVBKVNPMV-HNNXBMFYSA-N 1 0 391.313 2.825 20 0 GFADRO Clc1cc(Cl)c(OCCN2CCOCC2)c(C[NH2+][C@H]2CCCOC2)c1 ZINC000623408491 565508468 /nfs/dbraw/zinc/50/84/68/565508468.db2.gz XYMQADCIVOKRHV-INIZCTEOSA-N 1 0 389.323 2.973 20 0 GFADRO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)N1Cc2cccc(Br)c2C1 ZINC000665760683 565511429 /nfs/dbraw/zinc/51/14/29/565511429.db2.gz MXEUOXUZWDJBHM-AWEZNQCLSA-N 1 0 397.361 2.746 20 0 GFADRO COc1ccc(Br)c(NC(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)c1 ZINC000665920767 565515825 /nfs/dbraw/zinc/51/58/25/565515825.db2.gz QLTCCTGQYAFLON-ZDUSSCGKSA-N 1 0 398.301 2.833 20 0 GFADRO C[NH+]1CCC2(CC1)CN(C(=O)NCc1ccc(Br)s1)CCO2 ZINC000645179081 565516012 /nfs/dbraw/zinc/51/60/12/565516012.db2.gz FHPPLXQARCPEJN-UHFFFAOYSA-N 1 0 388.331 2.517 20 0 GFADRO C[C@H]1[C@@H]([NH+](C)C)CCN1c1ncnc2ccc(I)cc21 ZINC000596243244 565516235 /nfs/dbraw/zinc/51/62/35/565516235.db2.gz CLYLFTKBUCKMBD-HZMBPMFUSA-N 1 0 382.249 2.763 20 0 GFADRO Cc1cc(C[NH2+][C@H]2CCCN(C(=O)N3CCCC3)C2)ncc1Br ZINC000623521810 565516412 /nfs/dbraw/zinc/51/64/12/565516412.db2.gz ITLXNKHPESBSDS-AWEZNQCLSA-N 1 0 381.318 2.922 20 0 GFADRO COc1ccc([C@H](C)NC(=O)COC2CCC([NH3+])CC2)cc1Br ZINC000645225879 565517786 /nfs/dbraw/zinc/51/77/86/565517786.db2.gz RKIKAUICGKSRAK-XGNXJENSSA-N 1 0 385.302 2.921 20 0 GFADRO CCN1C[C@@H](C[NH2+]Cc2c[nH]nc2-c2ccc(Br)s2)CC1=O ZINC000623560409 565517889 /nfs/dbraw/zinc/51/78/89/565517889.db2.gz DZPLGRBWTLRTNO-SNVBAGLBSA-N 1 0 383.315 2.859 20 0 GFADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)c1cc(Br)c2ccccc2c1 ZINC000645339259 565521324 /nfs/dbraw/zinc/52/13/24/565521324.db2.gz RSRISKHOBNEWNI-AWEZNQCLSA-N 1 0 390.325 2.968 20 0 GFADRO CN(C)c1ncc(C[NH2+][C@]2(CO)CCc3cc(Br)ccc3C2)s1 ZINC000623644476 565523582 /nfs/dbraw/zinc/52/35/82/565523582.db2.gz YYTLROPNMOYOLT-QGZVFWFLSA-N 1 0 396.354 2.981 20 0 GFADRO CCN1CC[NH+](CCCCNC(=O)Cc2cscc2Br)CC1 ZINC000645423294 565524904 /nfs/dbraw/zinc/52/49/04/565524904.db2.gz WKFUVFJERAXYJP-UHFFFAOYSA-N 1 0 388.375 2.587 20 0 GFADRO CC[NH+]1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2)CC1 ZINC000645420864 565524979 /nfs/dbraw/zinc/52/49/79/565524979.db2.gz FXMSCJDUDSPGPV-UHFFFAOYSA-N 1 0 390.325 2.970 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)Nc1ccc(NS(C)(=O)=O)c(Cl)c1 ZINC000666159473 565525296 /nfs/dbraw/zinc/52/52/96/565525296.db2.gz XKAULCZQFWHOKR-GFCCVEGCSA-N 1 0 388.921 2.706 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)Nc1ccc(NS(C)(=O)=O)c(Cl)c1 ZINC000666159475 565525773 /nfs/dbraw/zinc/52/57/73/565525773.db2.gz XKAULCZQFWHOKR-LBPRGKRZSA-N 1 0 388.921 2.706 20 0 GFADRO CS(=O)(=O)c1ccc(C[NH2+][C@@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)s1 ZINC000666275490 565528911 /nfs/dbraw/zinc/52/89/11/565528911.db2.gz YPTIAJLWXCQYKO-DZGCQCFKSA-N 1 0 393.452 2.776 20 0 GFADRO COc1ncc(S(=O)(=O)N2CCC(C[NH+]3CCCCC3)CC2)cc1Cl ZINC000645490467 565530063 /nfs/dbraw/zinc/53/00/63/565530063.db2.gz LYZGXSVIVCXXSL-UHFFFAOYSA-N 1 0 387.933 2.630 20 0 GFADRO Fc1cc(Br)ccc1C[NH2+]C[C@@H]1CN(Cc2ccncc2)CCO1 ZINC000623780257 565530065 /nfs/dbraw/zinc/53/00/65/565530065.db2.gz FDOFCFLOWOPNMF-QGZVFWFLSA-N 1 0 394.288 2.974 20 0 GFADRO COc1ccc2c(c1)OCC[C@@H]2[NH2+]Cc1ccc(S(N)(=O)=O)c(Cl)c1 ZINC000666279558 565530261 /nfs/dbraw/zinc/53/02/61/565530261.db2.gz NKCXLNSHJRKPFW-HNNXBMFYSA-N 1 0 382.869 2.609 20 0 GFADRO Cc1nn(C)c(C[NH2+]CC[C@@H](O)COCc2ccccc2)c1Br ZINC000623828205 565531708 /nfs/dbraw/zinc/53/17/08/565531708.db2.gz NIBBJZDXAZGUKZ-OAHLLOKOSA-N 1 0 382.302 2.548 20 0 GFADRO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)Nc1cc(F)ccc1Br ZINC000666323866 565531754 /nfs/dbraw/zinc/53/17/54/565531754.db2.gz BTTWWUVCMWGOPH-LBPRGKRZSA-N 1 0 389.313 2.982 20 0 GFADRO C[NH+](C)CCN(Cc1cccc(Cl)c1)S(=O)(=O)CCC[C@H]1CCOC1 ZINC000645494890 565531872 /nfs/dbraw/zinc/53/18/72/565531872.db2.gz KRUQWPPPXWCSQM-INIZCTEOSA-N 1 0 388.961 2.850 20 0 GFADRO O[C@H]1CCN(CC[NH2+]Cc2ccc(OC(F)(F)F)c(Br)c2)C1 ZINC000623837532 565532972 /nfs/dbraw/zinc/53/29/72/565532972.db2.gz JIBQWXJARNGFMS-NSHDSACASA-N 1 0 383.208 2.504 20 0 GFADRO Cc1ccc(Br)cc1[C@H](C)[NH2+][C@@H]1CCN(c2cnn(C)c2)C1=O ZINC000623915842 565534587 /nfs/dbraw/zinc/53/45/87/565534587.db2.gz UUTARFMWCZENLW-BLLLJJGKSA-N 1 0 377.286 2.947 20 0 GFADRO C[N@@H+]1CCC[C@H](CNS(=O)(=O)Cc2ccc(Br)cc2Cl)C1 ZINC000645525721 565534906 /nfs/dbraw/zinc/53/49/06/565534906.db2.gz UFYIVDXQZJEBBV-LLVKDONJSA-N 1 0 395.750 2.864 20 0 GFADRO C[C@@H]([NH2+]CC1(OCCO)CCOCC1)c1cc(F)c(Br)cc1F ZINC000623979093 565537706 /nfs/dbraw/zinc/53/77/06/565537706.db2.gz PTXCKDYGZVKJLT-LLVKDONJSA-N 1 0 394.256 2.936 20 0 GFADRO C[C@@H]1CCC[N@H+](CCNC(=O)c2cc(Br)cc3c2OCCO3)C1 ZINC000666428459 565538066 /nfs/dbraw/zinc/53/80/66/565538066.db2.gz QLWKICIYQUGKIF-GFCCVEGCSA-N 1 0 383.286 2.682 20 0 GFADRO Cn1nccc1[C@@H](CO)[NH2+][C@H](c1cccc(Br)c1)C1CCOCC1 ZINC000624021591 565539666 /nfs/dbraw/zinc/53/96/66/565539666.db2.gz PQQAMABNIQAQST-AEFFLSMTSA-N 1 0 394.313 2.974 20 0 GFADRO COC(=O)c1cc(NC(=O)NCC[C@H](C)[NH+](C)C)cc(Br)c1F ZINC000596876541 565539783 /nfs/dbraw/zinc/53/97/83/565539783.db2.gz NKEFINZODCDUKB-VIFPVBQESA-N 1 0 390.253 2.837 20 0 GFADRO C[C@H](C[S@@](C)=O)NC(=O)Nc1nc2ccc(C[N@H+](C)C3CC3)cc2s1 ZINC000596997276 565543958 /nfs/dbraw/zinc/54/39/58/565543958.db2.gz CPQDNOIKCDCJQF-SSINHNECSA-N 1 0 380.539 2.779 20 0 GFADRO O=S(=O)(N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21)c1cscn1 ZINC000645647769 565547227 /nfs/dbraw/zinc/54/72/27/565547227.db2.gz GSHCWLBRJOZEOF-BRWVUGGUSA-N 1 0 377.535 2.722 20 0 GFADRO CCOC(=O)C[C@@H](NC(=O)NC[C@H](c1ccsc1)[NH+](C)C)C(F)(F)F ZINC000597023359 565548522 /nfs/dbraw/zinc/54/85/22/565548522.db2.gz SFBABVAMZNCBFE-VXGBXAGGSA-N 1 0 381.420 2.534 20 0 GFADRO Cc1cc(Br)c(F)cc1S(=O)(=O)N(C)CC[C@H]([NH3+])C(C)C ZINC000624356983 565552383 /nfs/dbraw/zinc/55/23/83/565552383.db2.gz AAVJQNDSKWQQCN-ZDUSSCGKSA-N 1 0 381.311 2.891 20 0 GFADRO Cc1cc(Br)c(F)cc1S(=O)(=O)N(C)CC[C@@H]([NH3+])C(C)C ZINC000624356982 565552452 /nfs/dbraw/zinc/55/24/52/565552452.db2.gz AAVJQNDSKWQQCN-CYBMUJFWSA-N 1 0 381.311 2.891 20 0 GFADRO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)Nc1cccc(C(F)F)c1Cl ZINC000666701050 565553377 /nfs/dbraw/zinc/55/33/77/565553377.db2.gz LHFYRDGAUQZKPM-UHFFFAOYSA-N 1 0 376.835 2.761 20 0 GFADRO C[NH+]1CCN(CC2CN(c3nc(C(F)(F)F)c(Br)s3)C2)CC1 ZINC000624365426 565553665 /nfs/dbraw/zinc/55/36/65/565553665.db2.gz WLQOTEVKWHAROZ-UHFFFAOYSA-N 1 0 399.280 2.608 20 0 GFADRO C[N@@H+]1C[C@H]2CCN(S(=O)(=O)c3cc(Cl)ccc3OC(F)(F)F)[C@@H]2C1 ZINC000645723291 565555013 /nfs/dbraw/zinc/55/50/13/565555013.db2.gz JYSUAWVPVXFBIM-MWLCHTKSSA-N 1 0 384.807 2.563 20 0 GFADRO Cc1ccc(Br)c(C)c1C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000645717338 565555399 /nfs/dbraw/zinc/55/53/99/565555399.db2.gz ILKJOKYIURUKND-HNNXBMFYSA-N 1 0 381.314 2.860 20 0 GFADRO CCC[N@H+](C)CC(C)(C)NC(=O)Nc1ccc(Cl)c(S(C)(=O)=O)c1 ZINC000666853645 565561002 /nfs/dbraw/zinc/56/10/02/565561002.db2.gz FOZYKHLHQZBGBU-UHFFFAOYSA-N 1 0 375.922 2.985 20 0 GFADRO CS[C@@H]1CN(C(=O)c2cc(N(C)C)cc(C(F)(F)F)c2)C[C@@H]1[NH+](C)C ZINC000597447922 565561219 /nfs/dbraw/zinc/56/12/19/565561219.db2.gz XYMCTOPLWIJXSD-LSDHHAIUSA-N 1 0 375.460 2.889 20 0 GFADRO CN1C2(CCC2)COC[C@]1(CO)CNc1ncc(Br)cc1Cl ZINC000624508455 565561320 /nfs/dbraw/zinc/56/13/20/565561320.db2.gz JEVUVSOOBYFEBH-OAHLLOKOSA-N 1 0 390.709 2.525 20 0 GFADRO COc1cc(Br)c(NC(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)cc1OC ZINC000666919598 565562247 /nfs/dbraw/zinc/56/22/47/565562247.db2.gz KJXBGAGMJKFNTA-MFKMUULPSA-N 1 0 384.274 2.682 20 0 GFADRO CN(CC1C[NH+](C)C1)C(=O)Nc1ccc(-c2ccc(Br)s2)nn1 ZINC000666970322 565564816 /nfs/dbraw/zinc/56/48/16/565564816.db2.gz QKJFGQKKOILYAR-UHFFFAOYSA-N 1 0 396.314 2.993 20 0 GFADRO Cc1cccc(NC(=O)C(=O)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)c1Br ZINC000645820386 565565254 /nfs/dbraw/zinc/56/52/54/565565254.db2.gz QFHVJCWGAAJEKA-SFHVURJKSA-N 1 0 394.313 2.640 20 0 GFADRO C[C@H](CCc1ccc(I)cc1)NC(=O)C1([NH+](C)C)CC1 ZINC000597602903 565567412 /nfs/dbraw/zinc/56/74/12/565567412.db2.gz ZBUNFQLWKROMEL-GFCCVEGCSA-N 1 0 386.277 2.823 20 0 GFADRO C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)Cc1ccc(I)cc1)C2 ZINC000597711925 565571633 /nfs/dbraw/zinc/57/16/33/565571633.db2.gz XYICXQBIQITBDM-QGZVFWFLSA-N 1 0 398.288 2.778 20 0 GFADRO CN1CCOC[C@H]1CNC(=O)N1CCC[C@@H]1c1cccc(Br)c1 ZINC000624737672 565573325 /nfs/dbraw/zinc/57/33/25/565573325.db2.gz KLCABYLHAHBQGW-HZPDHXFCSA-N 1 0 382.302 2.626 20 0 GFADRO Cc1cc(Br)ccc1[C@H]1CCCN1C(=O)NC[C@@H]1COCCN1C ZINC000624731397 565573355 /nfs/dbraw/zinc/57/33/55/565573355.db2.gz MYPLQFFJPQWFSA-NVXWUHKLSA-N 1 0 396.329 2.935 20 0 GFADRO CN(Cc1ccc(Br)cc1Cl)C(=O)NC[C@H]1COCCN1C ZINC000624732505 565574173 /nfs/dbraw/zinc/57/41/73/565574173.db2.gz RKYDDTNDMAUHEF-ZDUSSCGKSA-N 1 0 390.709 2.575 20 0 GFADRO C[N@@H+]1CC[C@](O)(CNC(=O)N[C@@H]2CCCCc3cc(Br)ccc32)C1 ZINC000667212981 565576925 /nfs/dbraw/zinc/57/69/25/565576925.db2.gz GXFJJESTSYQZTE-AEFFLSMTSA-N 1 0 396.329 2.582 20 0 GFADRO C[NH+](C)C[C@@](C)(O)CNC(=O)N[C@H]1CCCCc2cc(Br)ccc21 ZINC000667213252 565578296 /nfs/dbraw/zinc/57/82/96/565578296.db2.gz PRLGWWBXNBNMCN-WMZOPIPTSA-N 1 0 398.345 2.828 20 0 GFADRO COc1ccc(Br)cc1C1([NH2+]CC[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000645974139 565579245 /nfs/dbraw/zinc/57/92/45/565579245.db2.gz SQFZJEVQFCENNR-GFCCVEGCSA-N 1 0 388.327 2.861 20 0 GFADRO Cc1cc(Cl)cc(NC(=O)C(=O)NC[C@H]2CCCC[NH2+]2)c1Br ZINC000667265859 565580330 /nfs/dbraw/zinc/58/03/30/565580330.db2.gz DJZIGWHXBVMYLF-LLVKDONJSA-N 1 0 388.693 2.608 20 0 GFADRO CC(C)c1n[nH]c(C(=O)N2CCC[C@H]([NH+]3CCOCC3)CC2)c1Br ZINC000646081228 565586247 /nfs/dbraw/zinc/58/62/47/565586247.db2.gz ADNFGRVILXDQFX-ZDUSSCGKSA-N 1 0 399.333 2.623 20 0 GFADRO CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)NCC[C@H](C)[NH+](C)C ZINC000597997566 565586934 /nfs/dbraw/zinc/58/69/34/565586934.db2.gz NIPFKBSPICRBHM-BBRMVZONSA-N 1 0 385.961 2.648 20 0 GFADRO COc1cc(NC(=O)NC/C=C\C[NH3+])c(Br)cc1Br ZINC000667472619 565589246 /nfs/dbraw/zinc/58/92/46/565589246.db2.gz OVDNAKNWXDUJQT-IHWYPQMZSA-N 1 0 393.079 2.857 20 0 GFADRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)N1CCN(CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000646214261 565590086 /nfs/dbraw/zinc/59/00/86/565590086.db2.gz QDGAZJRFXQSPMT-ZIAGYGMSSA-N 1 0 387.355 2.989 20 0 GFADRO CCn1c(CNC(=O)N[C@H](C)C[C@@H](C)[NH3+])nc2cc(Br)ccc21 ZINC000646192502 565590656 /nfs/dbraw/zinc/59/06/56/565590656.db2.gz GYBMXKXFFCFCII-GHMZBOCLSA-N 1 0 382.306 2.744 20 0 GFADRO CC(C)Sc1c(Cl)cccc1NC(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000667540627 565593128 /nfs/dbraw/zinc/59/31/28/565593128.db2.gz PGJUMFOPBKNCII-SWLSCSKDSA-N 1 0 381.929 2.989 20 0 GFADRO O=C(Nc1ccc2nccnc2c1Br)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000667590705 565595364 /nfs/dbraw/zinc/59/53/64/565595364.db2.gz OCHGYGNYCCXXNO-GXFFZTMASA-N 1 0 376.258 2.608 20 0 GFADRO COc1ncc(C(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc1Br ZINC000646385079 565600967 /nfs/dbraw/zinc/60/09/67/565600967.db2.gz WCCBINOJYZKKBC-CHWSQXEVSA-N 1 0 382.302 2.705 20 0 GFADRO Cc1[nH]c(=O)c(C(=O)N2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc1Br ZINC000646377356 565601109 /nfs/dbraw/zinc/60/11/09/565601109.db2.gz AUGKVDHPPLEJKI-STQMWFEESA-N 1 0 382.302 2.710 20 0 GFADRO CCN(CCC[NH+](C)C)S(=O)(=O)c1c(OC)cccc1OC(F)(F)F ZINC000625145534 565602447 /nfs/dbraw/zinc/60/24/47/565602447.db2.gz BVMHHPLNIBIWMN-UHFFFAOYSA-N 1 0 384.420 2.556 20 0 GFADRO C[N@@H+]1CCC[C@H]1[C@H]1COCCN1C(=O)Cc1csc(-c2cccs2)n1 ZINC000646450834 565603556 /nfs/dbraw/zinc/60/35/56/565603556.db2.gz YYYSZWIDCPRNOJ-LSDHHAIUSA-N 1 0 377.535 2.736 20 0 GFADRO Cc1ccc(Br)cc1CNC(=O)[C@]1([NH3+])[C@@H]2CCCO[C@H]2C1(C)C ZINC000646519140 565604693 /nfs/dbraw/zinc/60/46/93/565604693.db2.gz HVVWVHQBXSRDRI-IIDMSEBBSA-N 1 0 381.314 2.906 20 0 GFADRO Cc1c(C(=O)N[C@@H](C)c2ccc(Br)s2)nnn1C1CC[NH2+]CC1 ZINC000646541582 565606168 /nfs/dbraw/zinc/60/61/68/565606168.db2.gz DYBYDAOMRMILJB-VIFPVBQESA-N 1 0 398.330 2.826 20 0 GFADRO C[NH+](C)C1(C(=O)N2CCC(C(=O)Nc3cccc(Br)c3)CC2)CC1 ZINC000667819863 565606133 /nfs/dbraw/zinc/60/61/33/565606133.db2.gz GHUOWRIDSHEPKK-UHFFFAOYSA-N 1 0 394.313 2.720 20 0 GFADRO CCC[N@@H+]1CC[C@H](NC(=O)c2ccc(OC)cc2I)C1 ZINC000598343903 565610700 /nfs/dbraw/zinc/61/07/00/565610700.db2.gz YBCWRZOWMXYVNX-NSHDSACASA-N 1 0 388.249 2.514 20 0 GFADRO CCC[N@@H+]1CC[C@H](NC(=O)c2c(F)cccc2I)C1 ZINC000598342795 565611020 /nfs/dbraw/zinc/61/10/20/565611020.db2.gz QGTVZFFEYFWVQX-JTQLQIEISA-N 1 0 376.213 2.644 20 0 GFADRO O=C(Nc1cccc(Br)c1F)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000667916633 565612953 /nfs/dbraw/zinc/61/29/53/565612953.db2.gz KOYFDDADDDLBLG-GFCCVEGCSA-N 1 0 386.265 2.651 20 0 GFADRO CCCN(C(=O)C(=O)Nc1ccc(Br)c(C)c1)[C@@H]1CC[N@H+](C)C1 ZINC000646768142 565617364 /nfs/dbraw/zinc/61/73/64/565617364.db2.gz MLFFDPUYJQMWPT-CQSZACIVSA-N 1 0 382.302 2.639 20 0 GFADRO CCCN(C(=O)C(=O)Nc1c(C)cc(Br)cc1C)[C@H]1CC[N@H+](C)C1 ZINC000646768191 565617965 /nfs/dbraw/zinc/61/79/65/565617965.db2.gz OROPGXIZJTVTPU-HNNXBMFYSA-N 1 0 396.329 2.947 20 0 GFADRO C[C@@H]1CCCN(C(=O)[C@@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)[C@@H]1C[NH3+] ZINC000646771384 565618175 /nfs/dbraw/zinc/61/81/75/565618175.db2.gz SKYPNEYVHDIUGD-PVXIVEMSSA-N 1 0 384.307 2.932 20 0 GFADRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)[C@H]1CCN(c2cc(Cl)ccc2Cl)C1=O ZINC000646779240 565618815 /nfs/dbraw/zinc/61/88/15/565618815.db2.gz OBXBNVQXVPTELS-LNSITVRQSA-N 1 0 384.307 2.980 20 0 GFADRO COC1CC[NH+](CCNC(=O)Nc2ccc(F)c(Br)c2F)CC1 ZINC000668044327 565624396 /nfs/dbraw/zinc/62/43/96/565624396.db2.gz OKYDEVAEXPOBRM-UHFFFAOYSA-N 1 0 392.244 2.960 20 0 GFADRO Cc1sc(Br)cc1S(=O)(=O)NC[C@H]1CCCC[N@@H+](C)C1 ZINC000625420301 565628430 /nfs/dbraw/zinc/62/84/30/565628430.db2.gz DEFVBAAXPAQBCP-LLVKDONJSA-N 1 0 381.361 2.829 20 0 GFADRO C[N@@H+]1CCCC[C@@H](CNS(=O)(=O)c2ccc(Br)cc2F)C1 ZINC000625422301 565629178 /nfs/dbraw/zinc/62/91/78/565629178.db2.gz QTQOKOGFSJJAEU-NSHDSACASA-N 1 0 379.295 2.598 20 0 GFADRO CC1(CNC(=O)CNC(=O)c2sc3ccccc3c2Cl)CC[NH2+]CC1 ZINC000646963770 565629900 /nfs/dbraw/zinc/62/99/00/565629900.db2.gz VJJQZMKXLLWVIF-UHFFFAOYSA-N 1 0 379.913 2.790 20 0 GFADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)c1cc2cc(Br)sc2[nH]1 ZINC000646960015 565630106 /nfs/dbraw/zinc/63/01/06/565630106.db2.gz PHSPHWIBUQQODU-LLVKDONJSA-N 1 0 399.358 2.748 20 0 GFADRO Cn1nc2cc(Br)ccc2c1C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000646966911 565630236 /nfs/dbraw/zinc/63/02/36/565630236.db2.gz BRYBBAUNAOARTR-BPNCWPANSA-N 1 0 377.286 2.535 20 0 GFADRO CC[C@H]1CN(C(=O)c2cc(=O)[nH]c3ccc(Br)cc32)CC[C@@H]1[NH3+] ZINC000647011908 565632305 /nfs/dbraw/zinc/63/23/05/565632305.db2.gz LWVSNKMMOAKVCM-HZMBPMFUSA-N 1 0 378.270 2.902 20 0 GFADRO [NH3+][C@]12CCC[C@H]1CN(C(=O)c1cc(F)c(F)cc1I)C2 ZINC000598668459 565632614 /nfs/dbraw/zinc/63/26/14/565632614.db2.gz TVIDJAKLIPYJTQ-RTHLEPHNSA-N 1 0 392.187 2.523 20 0 GFADRO O=C(N[C@@H]1CC12CC[NH2+]CC2)c1cc(-c2ccc(Br)cc2)n[nH]1 ZINC000647056600 565634673 /nfs/dbraw/zinc/63/46/73/565634673.db2.gz IKMCYVITNSUPRE-OAHLLOKOSA-N 1 0 375.270 2.711 20 0 GFADRO C[C@@H](CCC[NH3+])NC(=O)CCc1nc(-c2cc(Br)cs2)no1 ZINC000647064120 565635846 /nfs/dbraw/zinc/63/58/46/565635846.db2.gz ZFMIXLRLMBUBEL-VIFPVBQESA-N 1 0 387.303 2.737 20 0 GFADRO O=C1Nc2ccc(Br)cc2CC[C@@H]1[N@@H+]1CCC[C@](O)(C2CC2)C1 ZINC000625537327 565636134 /nfs/dbraw/zinc/63/61/34/565636134.db2.gz QEQCNGQQADOEFX-FUHWJXTLSA-N 1 0 379.298 2.939 20 0 GFADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)CCc1ccc(OC)cc1Br ZINC000668262602 565636403 /nfs/dbraw/zinc/63/64/03/565636403.db2.gz VOOQKNOGFQETMY-OAHLLOKOSA-N 1 0 399.329 2.617 20 0 GFADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc2cc(Br)sc2[nH]1 ZINC000668262643 565636457 /nfs/dbraw/zinc/63/64/57/565636457.db2.gz WUKMQLUWVPGDQG-LLVKDONJSA-N 1 0 386.315 2.833 20 0 GFADRO C[C@@H](CC(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3)n1cc(Br)cn1 ZINC000647093925 565636811 /nfs/dbraw/zinc/63/68/11/565636811.db2.gz RIHWJKJFRQMVOB-XZELYNGVSA-N 1 0 395.345 2.867 20 0 GFADRO O[C@@H](COc1c(Cl)cccc1Cl)C[NH+]1CCC(N2CCOCC2)CC1 ZINC000625553583 565638799 /nfs/dbraw/zinc/63/87/99/565638799.db2.gz UCKPYCTVBYSXQR-OAHLLOKOSA-N 1 0 389.323 2.530 20 0 GFADRO C[C@@H]1C[C@H]([NH2+]CC(C)(C)S(=O)(=O)c2ccc(Br)cc2)CO1 ZINC000647184601 565644614 /nfs/dbraw/zinc/64/46/14/565644614.db2.gz RIQYCDHJOAKTJE-YPMHNXCESA-N 1 0 376.316 2.768 20 0 GFADRO Cc1cc(Br)c(S(=O)(=O)N2CCC[C@H]([C@H]3CCC[NH2+]3)C2)s1 ZINC000647237803 565647972 /nfs/dbraw/zinc/64/79/72/565647972.db2.gz WMVUCJGDGQUMBL-WCQYABFASA-N 1 0 393.372 2.972 20 0 GFADRO Cc1cc(Br)cc(S(=O)(=O)N2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000647238345 565648649 /nfs/dbraw/zinc/64/86/49/565648649.db2.gz KUTKNTAKYJMUOQ-XJKSGUPXSA-N 1 0 387.343 2.910 20 0 GFADRO CC(C)(C[NH2+]Cc1cnn(-c2ccc(Br)cc2)c1)[C@]1(O)CCOC1 ZINC000647247078 565649167 /nfs/dbraw/zinc/64/91/67/565649167.db2.gz XTIXEHWHAWOJQY-SFHVURJKSA-N 1 0 394.313 2.902 20 0 GFADRO CC(C)[C@H]1CN(S(=O)(=O)c2ccc(Cl)cc2Br)CC[NH2+]1 ZINC000647255786 565649645 /nfs/dbraw/zinc/64/96/45/565649645.db2.gz QBROLWZAVUGUAA-GFCCVEGCSA-N 1 0 381.723 2.721 20 0 GFADRO CC[C@H]1CN(S(=O)(=O)Cc2cc(Cl)ccc2Br)CC[C@@H]1[NH3+] ZINC000647270205 565651681 /nfs/dbraw/zinc/65/16/81/565651681.db2.gz RWJUMNAGHWMXMG-HZMBPMFUSA-N 1 0 395.750 2.992 20 0 GFADRO CC[C@@H]1CN(S(=O)(=O)c2cc(Br)sc2Cl)CC[C@@H]1[NH3+] ZINC000647269247 565651791 /nfs/dbraw/zinc/65/17/91/565651791.db2.gz OYPOFOMXAOVPMU-SFYZADRCSA-N 1 0 387.752 2.912 20 0 GFADRO CC[C@@H]1CN(S(=O)(=O)c2cccc(Cl)c2Br)CC[C@H]1[NH3+] ZINC000647269702 565651967 /nfs/dbraw/zinc/65/19/67/565651967.db2.gz YJKXMRUIXRGXNU-MWLCHTKSSA-N 1 0 381.723 2.850 20 0 GFADRO C[C@@]1(CNS(=O)(=O)Cc2ccc(Br)cc2Cl)CCC[NH2+]C1 ZINC000647282463 565654431 /nfs/dbraw/zinc/65/44/31/565654431.db2.gz ZQRPWKJQHIKZFB-CQSZACIVSA-N 1 0 395.750 2.912 20 0 GFADRO Cc1sc(Br)cc1S(=O)(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000647300527 565655017 /nfs/dbraw/zinc/65/50/17/565655017.db2.gz ZOAVBVRLLGVUEA-GFCCVEGCSA-N 1 0 393.372 2.829 20 0 GFADRO Cn1ncc(Br)c1CN1CC[C@H]([N@H+](C)CCc2ccccc2)C1 ZINC000668566242 565655857 /nfs/dbraw/zinc/65/58/57/565655857.db2.gz JHHWTJMVERCJIC-INIZCTEOSA-N 1 0 377.330 2.931 20 0 GFADRO COC(=O)CCNC(=O)CC[NH2+][C@H]1C[C@@H](C)c2c1cccc2Br ZINC000599088384 565657230 /nfs/dbraw/zinc/65/72/30/565657230.db2.gz JZLYFXPGANVMNS-RISCZKNCSA-N 1 0 383.286 2.656 20 0 GFADRO CC(C)(C)n1ncnc1C[NH2+][C@]1(CO)CCc2cc(Br)ccc2C1 ZINC000625797609 565660510 /nfs/dbraw/zinc/66/05/10/565660510.db2.gz WLLHPNHGNYKEBV-GOSISDBHSA-N 1 0 393.329 2.805 20 0 GFADRO CCc1nnc(C[NH2+][C@]2(CO)CCc3cc(Br)ccc3C2)s1 ZINC000625797785 565660636 /nfs/dbraw/zinc/66/06/36/565660636.db2.gz ZLGFVMOUBCJESL-MRXNPFEDSA-N 1 0 382.327 2.873 20 0 GFADRO C[NH2+]CCOCCN(C)C(=O)Nc1cc(Cl)cc(Br)c1OC ZINC000625858701 565663665 /nfs/dbraw/zinc/66/36/65/565663665.db2.gz NMAANAYONNNJLM-UHFFFAOYSA-N 1 0 394.697 2.811 20 0 GFADRO O[C@@H](C[NH2+]C[C@H](O)COc1ccc(Cl)cc1Br)C1CCC1 ZINC000647537017 565663839 /nfs/dbraw/zinc/66/38/39/565663839.db2.gz AGXCPZWAYMLRTN-JSGCOSHPSA-N 1 0 378.694 2.593 20 0 GFADRO Nc1ccc(C[N@@H+]2CCC[C@@H](C(=O)Nc3ccc(Br)cn3)C2)cn1 ZINC000647537511 565664161 /nfs/dbraw/zinc/66/41/61/565664161.db2.gz JMGRNAATBFAZKI-CYBMUJFWSA-N 1 0 390.285 2.672 20 0 GFADRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)Nc1ccnn1Cc1cccc(Br)c1 ZINC000625880969 565664459 /nfs/dbraw/zinc/66/44/59/565664459.db2.gz XHROBCAOAACYCN-SMDDNHRTSA-N 1 0 378.274 2.566 20 0 GFADRO CCSc1cccc(Br)c1NC(=O)NCCOCC[NH2+]C ZINC000625889607 565664479 /nfs/dbraw/zinc/66/44/79/565664479.db2.gz YXWBVATUZJRJTL-UHFFFAOYSA-N 1 0 376.320 2.919 20 0 GFADRO CN(CCOCC[NH3+])C(=O)Nc1cc(C(F)(F)F)ccc1Br ZINC000625884993 565664607 /nfs/dbraw/zinc/66/46/07/565664607.db2.gz MTBXOESWYYDOAJ-UHFFFAOYSA-N 1 0 384.196 2.907 20 0 GFADRO O[C@@H]1CC[N@@H+](C2CCN(CC3=Cc4cc(Br)ccc4OC3)CC2)C1 ZINC000668741597 565665040 /nfs/dbraw/zinc/66/50/40/565665040.db2.gz VNMKWYXUUKQZEK-GOSISDBHSA-N 1 0 393.325 2.756 20 0 GFADRO [NH3+]CC[C@H](NC(=O)N1CCc2cc(F)cc(Br)c2C1)C(F)(F)F ZINC000625898598 565665453 /nfs/dbraw/zinc/66/54/53/565665453.db2.gz VUGUMFNLNAFWAY-LBPRGKRZSA-N 1 0 398.198 2.936 20 0 GFADRO CN(C)C[C@@H]([NH2+]CC(=O)NCc1cccnc1)c1ccc(Cl)c(Cl)c1 ZINC000625983437 565668418 /nfs/dbraw/zinc/66/84/18/565668418.db2.gz PPKQWOCZMFQZGZ-QGZVFWFLSA-N 1 0 381.307 2.897 20 0 GFADRO Cc1cc(Br)ccc1[C@@H]1CCC[N@H+]1CCN1C(=O)N[C@@H](C)C1=O ZINC000626010565 565670496 /nfs/dbraw/zinc/67/04/96/565670496.db2.gz WKESRXVKVIDENH-WFASDCNBSA-N 1 0 380.286 2.835 20 0 GFADRO NS(=O)(=O)NC1CC[NH+]([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000626033715 565671080 /nfs/dbraw/zinc/67/10/80/565671080.db2.gz ZNOKFCUHRKCSBR-SFHVURJKSA-N 1 0 379.913 2.687 20 0 GFADRO C[C@H](Sc1ccc(Br)cc1)C(=O)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000647707187 565671657 /nfs/dbraw/zinc/67/16/57/565671657.db2.gz XXZMOXAHNFIFKZ-NWANDNLSSA-N 1 0 399.354 2.597 20 0 GFADRO CC(C)Oc1cc(Br)cc(C(=O)N2CC[C@@H]([N@@H+]3CC[C@H](O)C3)C2)c1 ZINC000647706826 565671841 /nfs/dbraw/zinc/67/18/41/565671841.db2.gz RCHZDPNECFEDGY-CVEARBPZSA-N 1 0 397.313 2.517 20 0 GFADRO CCN(Cc1csc(CS(C)(=O)=O)n1)Cc1ccc(C[NH+](C)C)cc1 ZINC000626062485 565673991 /nfs/dbraw/zinc/67/39/91/565673991.db2.gz UEYYJGNZYQKAQR-UHFFFAOYSA-N 1 0 381.567 2.771 20 0 GFADRO O=c1n2ccccc2nn1CC[NH2+][C@H](CCO)c1cc(Cl)cc(Cl)c1 ZINC000626100370 565675340 /nfs/dbraw/zinc/67/53/40/565675340.db2.gz MBGCPYBFAQWHTN-OAHLLOKOSA-N 1 0 381.263 2.516 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(Br)cc3[nH]c(=O)[nH]c32)C[C@H]1C ZINC000669064259 565676161 /nfs/dbraw/zinc/67/61/61/565676161.db2.gz ILACRZDTLDQSAV-ZYHUDNBSSA-N 1 0 395.301 2.976 20 0 GFADRO O[C@@H](COc1ccc(Cl)cc1Br)C[N@@H+]1CC[C@@H]2CC[C@@H](O)[C@@H]21 ZINC000626138409 565677580 /nfs/dbraw/zinc/67/75/80/565677580.db2.gz URRMVJAZEQULRT-UOJODKQESA-N 1 0 390.705 2.687 20 0 GFADRO O=C(c1ccc(Cl)cc1Cl)N1CCN(C(=O)[C@H]2CCCCC[NH2+]2)CC1 ZINC000647922576 565683586 /nfs/dbraw/zinc/68/35/86/565683586.db2.gz DPQWXQTWDNTTPF-MRXNPFEDSA-N 1 0 384.307 2.810 20 0 GFADRO CC[C@@H]1CN(Cc2nc(Cc3cccc(Br)c3)no2)CC[C@@H]1[NH3+] ZINC000647936417 565684783 /nfs/dbraw/zinc/68/47/83/565684783.db2.gz DGXWVWWJHPMDFV-HIFRSBDPSA-N 1 0 379.302 2.982 20 0 GFADRO Cc1nn(C)c(NC(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)c1Br ZINC000647983633 565685847 /nfs/dbraw/zinc/68/58/47/565685847.db2.gz IMUGWAXZPMDUBM-ZDUSSCGKSA-N 1 0 384.322 2.831 20 0 GFADRO NC(=O)[C@H](c1ccc(Br)cc1)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647978658 565685861 /nfs/dbraw/zinc/68/58/61/565685861.db2.gz WIACTSNFXGXZLR-VYDXJSESSA-N 1 0 380.330 2.687 20 0 GFADRO CC(C)[N@H+](C)C[C@@H](O)CN1CCN(CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000647969591 565686217 /nfs/dbraw/zinc/68/62/17/565686217.db2.gz FUKQOUKIQWVYMZ-QGZVFWFLSA-N 1 0 388.383 2.855 20 0 GFADRO CC(C)[N@H+](C)C[C@@H](O)CN1CCC(Oc2cccc(Br)c2)CC1 ZINC000647971448 565686433 /nfs/dbraw/zinc/68/64/33/565686433.db2.gz IMUSCLHOCIGBDV-MRXNPFEDSA-N 1 0 385.346 2.993 20 0 GFADRO C[NH+](C)C[C@H]1CN(Cc2cc(OC(F)F)ccc2Br)CCO1 ZINC000647998063 565686947 /nfs/dbraw/zinc/68/69/47/565686947.db2.gz HHJRDCOAJVNLQD-ZDUSSCGKSA-N 1 0 379.245 2.813 20 0 GFADRO [NH3+]CCc1nc(C(=O)N2CCc3c(F)cc(Br)cc3C2)cs1 ZINC000648101998 565691021 /nfs/dbraw/zinc/69/10/21/565691021.db2.gz NQZIJZDUSHDDGP-UHFFFAOYSA-N 1 0 384.274 2.744 20 0 GFADRO CC[C@H]1CN(C(=O)CCNC(=O)Nc2ccc(Br)cc2)CC[C@@H]1[NH3+] ZINC000648124770 565691139 /nfs/dbraw/zinc/69/11/39/565691139.db2.gz BZBJMTTVRDSPRH-WFASDCNBSA-N 1 0 397.317 2.547 20 0 GFADRO C[C@H](CNC(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1)Oc1cccc(Br)c1 ZINC000669505934 565691695 /nfs/dbraw/zinc/69/16/95/565691695.db2.gz WMEAFOJJUKEPAP-DVOMOZLQSA-N 1 0 382.302 2.610 20 0 GFADRO O=C(C[C@@H]1Sc2ccc(Cl)cc2NC1=O)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000648182699 565693253 /nfs/dbraw/zinc/69/32/53/565693253.db2.gz OKQGITSHJHRCNQ-WFASDCNBSA-N 1 0 379.913 2.934 20 0 GFADRO C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N[C@@H]1CC[NH2+]C12CCCC2 ZINC000648208107 565693336 /nfs/dbraw/zinc/69/33/36/565693336.db2.gz WBZYPVKOYALNQN-BXUZGUMPSA-N 1 0 384.307 2.903 20 0 GFADRO C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000648182225 565693662 /nfs/dbraw/zinc/69/36/62/565693662.db2.gz CTRVPBHPOSKAOZ-VXGBXAGGSA-N 1 0 384.307 2.903 20 0 GFADRO CC1(CNC(=O)N[C@@H](c2cncc(Br)c2)C2CC2)CC[NH2+]CC1 ZINC000669582986 565694690 /nfs/dbraw/zinc/69/46/90/565694690.db2.gz VCTFBYCLMNTAQO-OAHLLOKOSA-N 1 0 381.318 2.984 20 0 GFADRO CCN(CC[NH3+])C(=O)NCCSCCOc1cccc(Br)c1 ZINC000599915387 565705817 /nfs/dbraw/zinc/70/58/17/565705817.db2.gz ISCPIONUJOSLCA-UHFFFAOYSA-N 1 0 390.347 2.551 20 0 GFADRO Cn1nc2cc(Br)ccc2c1C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000648361459 565706307 /nfs/dbraw/zinc/70/63/07/565706307.db2.gz NQDXSMFFQNBZAN-CHWSQXEVSA-N 1 0 377.286 2.692 20 0 GFADRO C[C@@H]1CC[C@@H](NC(=O)C(=O)Nc2cccnc2-c2ccc(Cl)s2)C[NH2+]1 ZINC000626892908 565714308 /nfs/dbraw/zinc/71/43/08/565714308.db2.gz IZPKZDJSGPKIED-GHMZBOCLSA-N 1 0 378.885 2.659 20 0 GFADRO CC(C)(C)N1CC[C@@H]([NH2+]CCCS(N)(=O)=O)[C@H]1c1ccc(Cl)c(F)c1 ZINC000670091575 565714990 /nfs/dbraw/zinc/71/49/90/565714990.db2.gz PTRIDNLNIQPZCH-HZPDHXFCSA-N 1 0 391.940 2.661 20 0 GFADRO C[C@@H](CCc1ccc(Br)cc1)NC(=O)NCC1([NH3+])CCOCC1 ZINC000626945949 565716123 /nfs/dbraw/zinc/71/61/23/565716123.db2.gz JTYYCUSVFZJYOS-ZDUSSCGKSA-N 1 0 384.318 2.577 20 0 GFADRO C[C@H](CNC(=O)N(C)CCOCC[NH3+])Sc1ccc(Br)cc1 ZINC000626975306 565716999 /nfs/dbraw/zinc/71/69/99/565716999.db2.gz ROWQZAOPQDTGQY-GFCCVEGCSA-N 1 0 390.347 2.546 20 0 GFADRO CC(C)(CNC(=O)NC1(C[NH3+])CCOCC1)c1cccc(Br)c1 ZINC000626964062 565717104 /nfs/dbraw/zinc/71/71/04/565717104.db2.gz JGGVVUNFVFGEOI-UHFFFAOYSA-N 1 0 384.318 2.534 20 0 GFADRO C[NH2+]CCOCCN(C)C(=O)NCCOc1c(Cl)cc(Cl)cc1Cl ZINC000626995157 565717981 /nfs/dbraw/zinc/71/79/81/565717981.db2.gz QCRPKMINAORLCR-UHFFFAOYSA-N 1 0 398.718 2.903 20 0 GFADRO C[C@H](NC(=O)N[C@@H]1CC[NH2+][C@H]1C)c1nc(-c2ccc(Br)cc2)no1 ZINC000627000368 565718990 /nfs/dbraw/zinc/71/89/90/565718990.db2.gz PLCBBQIUGSFCJY-OUJBWJOFSA-N 1 0 394.273 2.610 20 0 GFADRO CN(CCOCC[NH3+])C(=O)N[C@@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000627016349 565719861 /nfs/dbraw/zinc/71/98/61/565719861.db2.gz KBOIXVMDZKLUHI-OAHLLOKOSA-N 1 0 388.281 2.656 20 0 GFADRO CC1(C)Cc2c(cccc2Br)[C@H]1NC(=O)NCC1([NH3+])CCOCC1 ZINC000627043868 565720871 /nfs/dbraw/zinc/72/08/71/565720871.db2.gz YYBQMDPLPKAPOZ-OAHLLOKOSA-N 1 0 396.329 2.880 20 0 GFADRO C[NH2+]CCOCCN(C)C(=O)N[C@H](C)c1ccc(Br)cc1F ZINC000627035248 565720991 /nfs/dbraw/zinc/72/09/91/565720991.db2.gz CHGIULQMWVPHHH-LLVKDONJSA-N 1 0 376.270 2.527 20 0 GFADRO C[N@@H+]1CCCC[C@H](CNC(=O)c2cc(F)ccc2I)C1 ZINC000600311740 565723327 /nfs/dbraw/zinc/72/33/27/565723327.db2.gz CIIKZVSJCJEJFK-LLVKDONJSA-N 1 0 390.240 2.892 20 0 GFADRO COc1ncc(Br)cc1CNC(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000627156874 565723313 /nfs/dbraw/zinc/72/33/13/565723313.db2.gz JZUMSEKLNANLIO-UHFFFAOYSA-N 1 0 397.317 2.528 20 0 GFADRO C[N@@H+]1CCCC[C@@H](CNC(=O)c2ccc(F)cc2I)C1 ZINC000600310112 565723541 /nfs/dbraw/zinc/72/35/41/565723541.db2.gz GPUBRYZXGXRYSN-NSHDSACASA-N 1 0 390.240 2.892 20 0 GFADRO C[NH2+]CCOCCNC(=O)NC1(c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000627174485 565724778 /nfs/dbraw/zinc/72/47/78/565724778.db2.gz PEPSFSFXZWEKRI-UHFFFAOYSA-N 1 0 379.810 2.883 20 0 GFADRO C[C@@H]1CC[C@@H](NC(=O)N2CCO[C@@H](c3cccc(Br)c3)C2)C[NH2+]1 ZINC000627194120 565726302 /nfs/dbraw/zinc/72/63/02/565726302.db2.gz CBVWDTUFHFPZHT-DAXOMENPSA-N 1 0 382.302 2.673 20 0 GFADRO Cc1ccc(Br)cc1CNC(=O)C(=O)NCC[NH+](C(C)C)C(C)C ZINC000670504230 565727211 /nfs/dbraw/zinc/72/72/11/565727211.db2.gz YDTCEEOIZGGRDD-UHFFFAOYSA-N 1 0 398.345 2.609 20 0 GFADRO C[C@H]1C[C@@H](c2ccc(Br)cc2)CN1C(=O)NCCOCCC[NH3+] ZINC000627220769 565727568 /nfs/dbraw/zinc/72/75/68/565727568.db2.gz YSPXHBIZSVRJAA-DZGCQCFKSA-N 1 0 384.318 2.702 20 0 GFADRO Cn1nc2cc(Br)ccc2c1C(=O)N1CCC(C[NH+](C)C)CC1 ZINC000648781993 565728824 /nfs/dbraw/zinc/72/88/24/565728824.db2.gz KSKMHRUCWDUQIF-UHFFFAOYSA-N 1 0 379.302 2.750 20 0 GFADRO CN(C)CC[N@H+](C)CCCN(C)C(=O)c1ccc(Br)c(F)c1F ZINC000627321085 565732738 /nfs/dbraw/zinc/73/27/38/565732738.db2.gz CFFTUBSJEIMFLS-UHFFFAOYSA-N 1 0 392.288 2.683 20 0 GFADRO CCOc1cc(Br)c(CC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)cc1OCC ZINC000648845053 565734666 /nfs/dbraw/zinc/73/46/66/565734666.db2.gz OMOSWSWKXNDAJY-DOMZBBRYSA-N 1 0 397.313 2.609 20 0 GFADRO Cn1ccnc1[C@@H]1C[C@@H]([NH2+]Cc2cn3ccc(Br)cc3n2)CCO1 ZINC000648870637 565736363 /nfs/dbraw/zinc/73/63/63/565736363.db2.gz VDCYDQQKSKYRDT-ZFWWWQNUSA-N 1 0 390.285 2.840 20 0 GFADRO Cn1ccnc1[C@@H]1C[C@H]([NH2+]Cc2cn3ccc(Br)cc3n2)CCO1 ZINC000648870635 565736527 /nfs/dbraw/zinc/73/65/27/565736527.db2.gz VDCYDQQKSKYRDT-HIFRSBDPSA-N 1 0 390.285 2.840 20 0 GFADRO CCc1nccn1[C@H](C)CC(=O)Nc1nnc2ccc(Br)cn21 ZINC000648918919 565739217 /nfs/dbraw/zinc/73/92/17/565739217.db2.gz VRESYKJUDVVVQX-SNVBAGLBSA-N 1 0 377.246 2.841 20 0 GFADRO CCN(C(=O)c1cc(Br)cc2[nH]c(=O)[nH]c21)C1CC[NH+](C)CC1 ZINC000627616599 565743809 /nfs/dbraw/zinc/74/38/09/565743809.db2.gz WOKRCOWAXCPACE-UHFFFAOYSA-N 1 0 381.274 2.587 20 0 GFADRO CSc1ccc(NC(=O)C(=O)NCC[C@H](C)[NH+](C)C)cc1Br ZINC000627639102 565745182 /nfs/dbraw/zinc/74/51/82/565745182.db2.gz IWQIQULOHHYVPL-JTQLQIEISA-N 1 0 388.331 2.566 20 0 GFADRO CC(C)OC(=O)Cc1nc(CN2CCC[C@@H](C[NH3+])[C@H]2C(F)(F)F)cs1 ZINC000600738702 565747316 /nfs/dbraw/zinc/74/73/16/565747316.db2.gz LSDQMHHMZGNMLM-NHYWBVRUSA-N 1 0 379.448 2.739 20 0 GFADRO O=S(=O)(Cc1ccc(OC(F)(F)F)cc1)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000600751232 565748216 /nfs/dbraw/zinc/74/82/16/565748216.db2.gz CHPMFXHGBMYJTE-CABCVRRESA-N 1 0 378.416 2.631 20 0 GFADRO C[C@H](C(=O)N1CCOC2(CC[NH+](C)CC2)C1)c1ccc(Br)s1 ZINC000649132402 565749171 /nfs/dbraw/zinc/74/91/71/565749171.db2.gz YCDZGORKROJHJZ-LBPRGKRZSA-N 1 0 387.343 2.937 20 0 GFADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]Cc1nn(C)c2ccccc12 ZINC000671120601 565752506 /nfs/dbraw/zinc/75/25/06/565752506.db2.gz UJGYEMWYXMPMIN-GFCCVEGCSA-N 1 0 375.270 2.676 20 0 GFADRO CC[C@H](Cn1cncn1)[NH2+]CCc1cn2cc(Br)cc(C)c2n1 ZINC000671120686 565753252 /nfs/dbraw/zinc/75/32/52/565753252.db2.gz IBQIMRBGVRRBDH-CQSZACIVSA-N 1 0 377.290 2.608 20 0 GFADRO O=C(N[C@H]1CCN(c2cccc(Br)c2)C1=O)c1ccc2c[nH+]cn2c1 ZINC000671224675 565758462 /nfs/dbraw/zinc/75/84/62/565758462.db2.gz RMCWXRXFDDSHOO-INIZCTEOSA-N 1 0 399.248 2.632 20 0 GFADRO C[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)c1cc2c(cc1Br)OCCO2 ZINC000600962365 565761252 /nfs/dbraw/zinc/76/12/52/565761252.db2.gz XQVUTQHQBNNHHT-FZMZJTMJSA-N 1 0 383.286 2.882 20 0 GFADRO C[NH+]1CCC2(CC1)CN(C(=O)c1ccc(Br)c(F)c1F)CCO2 ZINC000627966085 565765405 /nfs/dbraw/zinc/76/54/05/565765405.db2.gz MWMFSAHGZRAIDG-UHFFFAOYSA-N 1 0 389.240 2.664 20 0 GFADRO C[N@@H+]1CCC[C@@H](N2CCN(Cc3cc(Br)cc(F)c3F)CC2)C1 ZINC000649560371 565766939 /nfs/dbraw/zinc/76/69/39/565766939.db2.gz KHKNFNDTQWBFJT-OAHLLOKOSA-N 1 0 388.300 2.939 20 0 GFADRO Cc1cccc(CC(=O)N2CCC([NH+]3CCOCC3)CC2)c1Br ZINC000628121024 565775266 /nfs/dbraw/zinc/77/52/66/565775266.db2.gz NXOIXLITQMWNCS-UHFFFAOYSA-N 1 0 381.314 2.623 20 0 GFADRO C[C@H](Cc1ccc(Br)cc1)C(=O)N1CCC([NH+]2CCOCC2)CC1 ZINC000628124529 565775281 /nfs/dbraw/zinc/77/52/81/565775281.db2.gz KSLGCUHORBADGM-OAHLLOKOSA-N 1 0 395.341 2.951 20 0 GFADRO C[C@@H](CO)C1CC[NH+](C[C@H](O)COc2cc(F)cc(Br)c2)CC1 ZINC000649798834 565778978 /nfs/dbraw/zinc/77/89/78/565778978.db2.gz IZAYBLQKJDYETR-LRDDRELGSA-N 1 0 390.293 2.668 20 0 GFADRO CS(=O)(=O)N[C@@H]1CCCC[C@@H]1C[NH2+]CCc1cccc(C(F)(F)F)c1 ZINC000628273115 565782019 /nfs/dbraw/zinc/78/20/19/565782019.db2.gz JDVZWEMYWKQJFQ-GDBMZVCRSA-N 1 0 378.460 2.946 20 0 GFADRO CS[C@@H]1CN(C(=O)c2c(F)cncc2Br)C[C@@H]1[NH+]1CCCC1 ZINC000601437860 565784363 /nfs/dbraw/zinc/78/43/63/565784363.db2.gz WEHPIERGAULMCC-QWHCGFSZSA-N 1 0 388.306 2.635 20 0 GFADRO O=C(c1c(F)cccc1I)N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000601555334 565791195 /nfs/dbraw/zinc/79/11/95/565791195.db2.gz DVAAQAXXBOIXSJ-GWCFXTLKSA-N 1 0 388.224 2.644 20 0 GFADRO CNS(=O)(=O)C[C@H]1CCC[N@H+](Cc2cc(C)c(OC(F)F)c(C)c2)C1 ZINC000628495700 565791937 /nfs/dbraw/zinc/79/19/37/565791937.db2.gz XVLLTSVCFAHGSP-AWEZNQCLSA-N 1 0 376.469 2.666 20 0 GFADRO C[C@@H]1C[C@H]([NH3+])CN1C(=O)Nc1cc(Cl)ccc1I ZINC000601568290 565792144 /nfs/dbraw/zinc/79/21/44/565792144.db2.gz ZAVGGWBOHLPNRG-APPZFPTMSA-N 1 0 379.629 2.898 20 0 GFADRO C[N@@H+]1CCCC[C@@H](CNC(=O)C(C)(C)S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000628754686 565806619 /nfs/dbraw/zinc/80/66/19/565806619.db2.gz QIOKEBDWCYCGKC-AWEZNQCLSA-N 1 0 386.945 2.740 20 0 GFADRO C[C@@H](NC(=O)N1CC[N@H+](CCO)C(C)(C)C1)c1ccc(Br)cc1 ZINC000672679869 565813937 /nfs/dbraw/zinc/81/39/37/565813937.db2.gz WDKBQQCMWBVPQJ-CYBMUJFWSA-N 1 0 384.318 2.608 20 0 GFADRO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]C[C@@H](CO)c2ccc(Cl)cc2)cc1 ZINC000672619178 565814052 /nfs/dbraw/zinc/81/40/52/565814052.db2.gz JUFQNQBCRYDHIR-CJNGLKHVSA-N 1 0 382.913 2.675 20 0 GFADRO O=C1CC[C@@H]([NH2+]Cc2cc(Cl)cc(I)c2)CCN1 ZINC000602016850 565816313 /nfs/dbraw/zinc/81/63/13/565816313.db2.gz BAWAUFBRPCIHQV-GFCCVEGCSA-N 1 0 378.641 2.703 20 0 GFADRO Cc1ccn(CC(=O)N[C@@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)c(=O)c1 ZINC000628968706 565817677 /nfs/dbraw/zinc/81/76/77/565817677.db2.gz JGDZUMRLVDRLKL-INIZCTEOSA-N 1 0 382.291 2.883 20 0 GFADRO C[NH+]1CCC(NC(=O)c2ccc3[nH]cc(I)c3c2)CC1 ZINC000602046617 565818391 /nfs/dbraw/zinc/81/83/91/565818391.db2.gz UKVWYPPOZDXOQC-UHFFFAOYSA-N 1 0 383.233 2.597 20 0 GFADRO O=C(Nc1ccc(SCC[NH+]2CCCC2)cc1)N1CCSC[C@H]1CO ZINC000650416150 565819183 /nfs/dbraw/zinc/81/91/83/565819183.db2.gz VKMRJMDSPXYFGD-MRXNPFEDSA-N 1 0 381.567 2.816 20 0 GFADRO CN1CCC([N@@H+]2CC[C@@H](NC(=O)COc3c(Cl)cccc3Cl)C2)CC1 ZINC000602200240 565830213 /nfs/dbraw/zinc/83/02/13/565830213.db2.gz HXWFZZOBZCMBDA-CYBMUJFWSA-N 1 0 386.323 2.657 20 0 GFADRO Cc1c(C(=O)NC2CC([NH+](C)C)C2)cnn1-c1cccc(Br)c1 ZINC000673444613 565834694 /nfs/dbraw/zinc/83/46/94/565834694.db2.gz RZPYHUYHCCKIHE-UHFFFAOYSA-N 1 0 377.286 2.766 20 0 GFADRO COCC[N@@H+]1CCN(C(=O)CCc2ccc(Br)cc2)C(C)(C)C1 ZINC000650830905 565836892 /nfs/dbraw/zinc/83/68/92/565836892.db2.gz NFYPLGBLRBZZPY-UHFFFAOYSA-N 1 0 383.330 2.951 20 0 GFADRO CCN(CC)C(=O)C[NH+]1CCC(NC(=O)[C@@H](C)c2ccc(Cl)s2)CC1 ZINC000673489496 565837928 /nfs/dbraw/zinc/83/79/28/565837928.db2.gz ISWALUCRZSUAQB-ZDUSSCGKSA-N 1 0 385.961 2.954 20 0 GFADRO Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)N[C@@H](CO)C[NH+]1CCCC1 ZINC000673533697 565839163 /nfs/dbraw/zinc/83/91/63/565839163.db2.gz SFJYOLOSGVJHDZ-OAHLLOKOSA-N 1 0 379.913 2.958 20 0 GFADRO CC(C)[C@H](C(=O)Nc1nnc2ccc(Br)cn21)[NH+]1CCCCC1 ZINC000651043283 565843512 /nfs/dbraw/zinc/84/35/12/565843512.db2.gz PGURTXBHCAEMPR-CQSZACIVSA-N 1 0 380.290 2.941 20 0 GFADRO Cc1cc(-c2csc(NC(=O)C3([S@@](C)=O)CC[NH2+]CC3)n2)ccc1F ZINC000602437929 565847423 /nfs/dbraw/zinc/84/74/23/565847423.db2.gz ALAYFEUGIDOQBG-RUZDIDTESA-N 1 0 381.498 2.697 20 0 GFADRO C[NH+](C)[C@@H]1[C@H]2CN(S(=O)(=O)c3ccc4nc(C(C)(C)C)sc4c3)C[C@H]21 ZINC000629353627 565848319 /nfs/dbraw/zinc/84/83/19/565848319.db2.gz KHJQZTSTUKQBDK-VIKVFOODSA-N 1 0 379.551 2.774 20 0 GFADRO C[S@](=O)C1(C(=O)N[C@H]2CCc3c2ccc(Cl)c3Cl)CC[NH2+]CC1 ZINC000602461092 565849851 /nfs/dbraw/zinc/84/98/51/565849851.db2.gz ALIDFWLAJHXXHS-NPMABZOXSA-N 1 0 375.321 2.598 20 0 GFADRO C[NH+](C)CCn1cc(NC(=O)NCc2ccc(Br)c(F)c2)cn1 ZINC000673869015 565851599 /nfs/dbraw/zinc/85/15/99/565851599.db2.gz JEACKWPDUBPHDW-UHFFFAOYSA-N 1 0 384.253 2.668 20 0 GFADRO O=C(CCC[S@@](=O)c1ccc(Br)cc1)N[C@H]1CC[NH2+]C12CCC2 ZINC000602529088 565854124 /nfs/dbraw/zinc/85/41/24/565854124.db2.gz DRXBGJMXSVUBCE-NPMXOYFQSA-N 1 0 399.354 2.738 20 0 GFADRO CCN(CC[NH3+])C(=O)[C@@H](CCSC)NC(=O)c1ccc(Cl)cc1Cl ZINC000602533712 565854238 /nfs/dbraw/zinc/85/42/38/565854238.db2.gz AGZASEUHVQAFRT-CQSZACIVSA-N 1 0 392.352 2.652 20 0 GFADRO CC[NH+]1CCN([C@H](C)CNc2ncnc3cc(Br)sc32)CC1 ZINC000651297852 565854556 /nfs/dbraw/zinc/85/45/56/565854556.db2.gz DYZVYEREJXXBKW-LLVKDONJSA-N 1 0 384.347 2.892 20 0 GFADRO CC[S@](=O)[C@@H]1CCC[C@@H]([NH2+]Cc2cnn3cc(Br)cnc23)C1 ZINC000602563102 565855327 /nfs/dbraw/zinc/85/53/27/565855327.db2.gz FHIQZTNGAJOZBF-SOHPYSCWSA-N 1 0 385.331 2.661 20 0 GFADRO CN(CCC[NH+]1CCN(C)CC1)c1ncnc2cc(Br)sc21 ZINC000651312004 565855398 /nfs/dbraw/zinc/85/53/98/565855398.db2.gz YOPUYPUFESJBQR-UHFFFAOYSA-N 1 0 384.347 2.528 20 0 GFADRO Cc1cc(C(=O)N[C@@H]2CC[NH2+][C@H]2C)c(I)cc1Cl ZINC000602571630 565855573 /nfs/dbraw/zinc/85/55/73/565855573.db2.gz ATSFTWAUCAIWCR-QPUJVOFHSA-N 1 0 378.641 2.733 20 0 GFADRO CCO[C@H](CC[NH+](C)C)CNC(=O)[C@@H]1CCOc2ccc(Br)cc21 ZINC000651466519 565864633 /nfs/dbraw/zinc/86/46/33/565864633.db2.gz CRPSFQKPDIXDMX-HUUCEWRRSA-N 1 0 399.329 2.788 20 0 GFADRO Cc1cc(C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)nn1-c1ccc(Br)cc1 ZINC000674315736 565868540 /nfs/dbraw/zinc/86/85/40/565868540.db2.gz FRRVJSCKFJYEKE-CQSZACIVSA-N 1 0 389.297 2.910 20 0 GFADRO Cc1ccc(-c2nc(NC(=O)C(=O)N[C@H]3CCC[N@@H+](C)C3)sc2C)s1 ZINC000651531316 565869490 /nfs/dbraw/zinc/86/94/90/565869490.db2.gz DYOFHSDZPMRXIU-LBPRGKRZSA-N 1 0 378.523 2.637 20 0 GFADRO CC[C@H](C[NH+]1CCCC1)NS(=O)(=O)c1cc(OC)ccc1Br ZINC000674345422 565870018 /nfs/dbraw/zinc/87/00/18/565870018.db2.gz TVRSAYXXGPADOQ-GFCCVEGCSA-N 1 0 391.331 2.610 20 0 GFADRO Cc1nc(C)c(S(=O)(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)s1 ZINC000674340127 565870387 /nfs/dbraw/zinc/87/03/87/565870387.db2.gz JJKOVLLGEQLSGD-KRWDZBQOSA-N 1 0 379.551 2.950 20 0 GFADRO Cc1cc(CCC(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)ccc1Br ZINC000674360772 565871068 /nfs/dbraw/zinc/87/10/68/565871068.db2.gz VPPLMUZGAODCDW-ZWKOTPCHSA-N 1 0 395.341 2.748 20 0 GFADRO COC1CC[NH+](CCNC(=O)CCc2ccc(Br)c(C)c2)CC1 ZINC000674362297 565871209 /nfs/dbraw/zinc/87/12/09/565871209.db2.gz MGRLUIBATOBKHM-UHFFFAOYSA-N 1 0 383.330 2.917 20 0 GFADRO Cc1cc(CCC(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)ccc1Br ZINC000674360769 565871549 /nfs/dbraw/zinc/87/15/49/565871549.db2.gz VPPLMUZGAODCDW-QZTJIDSGSA-N 1 0 395.341 2.748 20 0 GFADRO O[C@@H](C[N@@H+]1CCC[C@@H]1c1cccc(Br)c1)CC1(O)CCOCC1 ZINC000630039304 565881191 /nfs/dbraw/zinc/88/11/91/565881191.db2.gz XFBSKIBYVWGPHE-IAGOWNOFSA-N 1 0 384.314 2.879 20 0 GFADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)N1CCC[C@@H]1c1ccccc1Br ZINC000674779315 565883078 /nfs/dbraw/zinc/88/30/78/565883078.db2.gz YICLADJSCRLDQT-WMLDXEAASA-N 1 0 395.345 2.541 20 0 GFADRO Cc1cc(Br)sc1S(=O)(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000651662053 565883556 /nfs/dbraw/zinc/88/35/56/565883556.db2.gz QEZRXDKMGYAMBC-UHFFFAOYSA-N 1 0 381.361 2.924 20 0 GFADRO C[NH2+][C@H](C)c1cn(CCCOc2cccc(I)c2)nn1 ZINC000603210369 565889633 /nfs/dbraw/zinc/88/96/33/565889633.db2.gz DDJUYGZBNLZZPG-LLVKDONJSA-N 1 0 386.237 2.632 20 0 GFADRO CCCC[C@@H](C(=O)OC)n1cc([C@@H]([NH3+])c2ccc(Br)cc2)nn1 ZINC000603202816 565889810 /nfs/dbraw/zinc/88/98/10/565889810.db2.gz YNVMACOFQTZSCJ-GJZGRUSLSA-N 1 0 381.274 2.993 20 0 GFADRO CO[C@@H](CS(=O)(=O)NC[C@H](C[NH+](C)C)c1ccc(Cl)cc1)C(C)C ZINC000651764849 565891222 /nfs/dbraw/zinc/89/12/22/565891222.db2.gz QKSLTVDSABZUGC-WBVHZDCISA-N 1 0 376.950 2.576 20 0 GFADRO CN(CC[NH+]1CCCCC1)S(=O)(=O)Cc1ccccc1Br ZINC000651925888 565905094 /nfs/dbraw/zinc/90/50/94/565905094.db2.gz XDDFMKJSOPTBHF-UHFFFAOYSA-N 1 0 375.332 2.697 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)c2ncc(I)s2)C1 ZINC000603429859 565905166 /nfs/dbraw/zinc/90/51/66/565905166.db2.gz SIJFFBLDPJSNIY-VIFPVBQESA-N 1 0 393.294 2.598 20 0 GFADRO O[C@H](COc1ccc(Cl)c(Cl)c1)CN1CCN(c2cc[nH+]cc2)CC1 ZINC000675509761 565907125 /nfs/dbraw/zinc/90/71/25/565907125.db2.gz BHQHTVVKYXDQSZ-HNNXBMFYSA-N 1 0 382.291 2.950 20 0 GFADRO CC(C)(C)NS(=O)(=O)CC[NH2+][C@@H]1CCc2cc(Br)ccc21 ZINC000675780102 565914631 /nfs/dbraw/zinc/91/46/31/565914631.db2.gz BAYXUVPSOHHTGN-CQSZACIVSA-N 1 0 375.332 2.744 20 0 GFADRO CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]C2CCN(CC(F)F)CC2)cc1 ZINC000675791861 565915963 /nfs/dbraw/zinc/91/59/63/565915963.db2.gz HBECWIFNGAUYHF-ZDUSSCGKSA-N 1 0 375.485 2.828 20 0 GFADRO C[N@@H+]1CCCN(CCCNC(=O)CCCc2ccccc2Br)CC1 ZINC000675795147 565916448 /nfs/dbraw/zinc/91/64/48/565916448.db2.gz LNQTYOPOJYEWQH-UHFFFAOYSA-N 1 0 396.373 2.916 20 0 GFADRO O=C(NCCC1CC[NH2+]CC1)N[C@H]1CCN(c2ccccc2Br)C1 ZINC000652150343 565917532 /nfs/dbraw/zinc/91/75/32/565917532.db2.gz SYQHLYAXBJTWFZ-HNNXBMFYSA-N 1 0 395.345 2.717 20 0 GFADRO CN1CC[NH+](CCCCNC(=O)c2oc3ccccc3c2Br)CC1 ZINC000630729213 565918389 /nfs/dbraw/zinc/91/83/89/565918389.db2.gz IDSPWNQRBQGLSM-UHFFFAOYSA-N 1 0 394.313 2.953 20 0 GFADRO C[N@@H+]1CCCC[C@@H]1C(=O)N1CCN(Cc2ccc(Br)c(F)c2)CC1 ZINC000675906739 565921082 /nfs/dbraw/zinc/92/10/82/565921082.db2.gz JEVJIYYBWMZOGK-QGZVFWFLSA-N 1 0 398.320 2.717 20 0 GFADRO O=C(NCCC1CC[NH2+]CC1)N1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000652311710 565921545 /nfs/dbraw/zinc/92/15/45/565921545.db2.gz WOMCXYDTIJPSIP-QGZVFWFLSA-N 1 0 396.329 2.922 20 0 GFADRO COCC[NH2+]C1CCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)CC1 ZINC000652373694 565923944 /nfs/dbraw/zinc/92/39/44/565923944.db2.gz MAAUPPXQFZVSTA-UHFFFAOYSA-N 1 0 381.325 2.524 20 0 GFADRO Cc1cc(Br)sc1S(=O)(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000652366891 565924911 /nfs/dbraw/zinc/92/49/11/565924911.db2.gz XRYOUSUCVWGLLU-ZACCUICWSA-N 1 0 379.345 2.723 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(S(=O)(=O)c3cccc(Cl)c3Cl)C2)C1 ZINC000652374940 565925528 /nfs/dbraw/zinc/92/55/28/565925528.db2.gz DXXABEPKIHMRDF-BZPMIXESSA-N 1 0 393.336 2.900 20 0 GFADRO C[C@H]1CCCN(S(=O)(=O)c2ccc(OCC(F)(F)F)cc2)[C@H]1CC[NH3+] ZINC000652378322 565926519 /nfs/dbraw/zinc/92/65/19/565926519.db2.gz GEGBNBFQGMAHGB-WFASDCNBSA-N 1 0 380.432 2.766 20 0 GFADRO COc1ccc(Br)c(S(=O)(=O)N2CCC[C@@H](C)[C@@H]2CC[NH3+])c1 ZINC000652377369 565926800 /nfs/dbraw/zinc/92/68/00/565926800.db2.gz FTHYSHZWKUFRCI-RISCZKNCSA-N 1 0 391.331 2.596 20 0 GFADRO C[C@H]1CCCN(S(=O)(=O)c2cc(F)c(Br)cc2F)[C@H]1CC[NH3+] ZINC000652378079 565926819 /nfs/dbraw/zinc/92/68/19/565926819.db2.gz YCWZEWLBWDRRRV-ZANVPECISA-N 1 0 397.285 2.865 20 0 GFADRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)NCc3cccc(Cl)c3Cl)CC2)C1 ZINC000604647061 565933440 /nfs/dbraw/zinc/93/34/40/565933440.db2.gz BUKPQSARMZULRL-OAHLLOKOSA-N 1 0 385.339 2.915 20 0 GFADRO NS(=O)(=O)c1cc(CNC2CC[NH+](CC3CCCC3)CC2)ccc1Cl ZINC000631055568 565936563 /nfs/dbraw/zinc/93/65/63/565936563.db2.gz CLGPNGJOZIQUHD-UHFFFAOYSA-N 1 0 385.961 2.732 20 0 GFADRO Brc1cccc(C2(C[NH2+]Cc3cn(C[C@H]4CCOC4)nn3)CC2)c1 ZINC000631074208 565938676 /nfs/dbraw/zinc/93/86/76/565938676.db2.gz UXTPRYRBVQSFGJ-CQSZACIVSA-N 1 0 391.313 2.899 20 0 GFADRO Cc1cc(S(=O)(=O)N[C@H]2CC[N@H+](CC3CC3)C2)c(C)cc1Br ZINC000604889585 565939241 /nfs/dbraw/zinc/93/92/41/565939241.db2.gz YGJVAWSMHQXDRU-AWEZNQCLSA-N 1 0 387.343 2.829 20 0 GFADRO C[C@H](C(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1)[C@H](C)S(C)(=O)=O ZINC000652870676 565945022 /nfs/dbraw/zinc/94/50/22/565945022.db2.gz GJTWDXCOOWGQDB-GJZGRUSLSA-N 1 0 384.567 2.882 20 0 GFADRO COc1cccc([C@@H]2C[C@H]2C[NH2+]Cc2ccc(Cl)c(S(N)(=O)=O)c2)c1 ZINC000631159739 565945549 /nfs/dbraw/zinc/94/55/49/565945549.db2.gz WQIPABWRCALNRH-HOCLYGCPSA-N 1 0 380.897 2.889 20 0 GFADRO C[C@@H](CNC(=O)c1nn(-c2ccc(F)cc2)cc1Br)[NH+]1CCCC1 ZINC000605126665 565946744 /nfs/dbraw/zinc/94/67/44/565946744.db2.gz KVUWWSBPPZKGPZ-LBPRGKRZSA-N 1 0 395.276 2.988 20 0 GFADRO CN(C)C(=O)N1CCC([NH2+][C@@H]2[C@H]3Cc4c(cccc4Br)[C@@H]23)CC1 ZINC000631190402 565947314 /nfs/dbraw/zinc/94/73/14/565947314.db2.gz AOSDYTQWFVDSFT-USXIJHARSA-N 1 0 378.314 2.823 20 0 GFADRO Brc1ccc2c(c1)C[C@@H]1[C@H]2[C@H]1[NH2+]Cc1cn(C[C@H]2CCOC2)nn1 ZINC000631220261 565949527 /nfs/dbraw/zinc/94/95/27/565949527.db2.gz RGTOQVHSNRKTQT-CITFOPHVSA-N 1 0 389.297 2.505 20 0 GFADRO CCOc1c(Br)cc(C[NH2+]C2CN(c3ccncn3)C2)cc1OC ZINC000631259854 565951380 /nfs/dbraw/zinc/95/13/80/565951380.db2.gz ZUMCLORMLZNMQB-UHFFFAOYSA-N 1 0 393.285 2.625 20 0 GFADRO CC(C)(CO)[NH+]1CCN(Cc2cc(Br)ccc2OC(F)F)CC1 ZINC000605420581 565951536 /nfs/dbraw/zinc/95/15/36/565951536.db2.gz QTDDMDGYAAOSNV-UHFFFAOYSA-N 1 0 393.272 2.939 20 0 GFADRO Cc1c(Br)csc1C(=O)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000631275450 565951750 /nfs/dbraw/zinc/95/17/50/565951750.db2.gz DSKXVTATLWFVBO-UHFFFAOYSA-N 1 0 388.375 2.917 20 0 GFADRO O=S(=O)(N[C@@H]1CC[N@H+](CC2CC2)C1)c1ccc(Br)c(Cl)c1 ZINC000676887886 565953511 /nfs/dbraw/zinc/95/35/11/565953511.db2.gz AFYGGYWXMQYXML-LLVKDONJSA-N 1 0 393.734 2.865 20 0 GFADRO C[C@H]1CC[N@H+](CCNS(=O)(=O)c2ccc(Br)c(Cl)c2)C1 ZINC000676890805 565953719 /nfs/dbraw/zinc/95/37/19/565953719.db2.gz BTEUBERHZMSUEE-JTQLQIEISA-N 1 0 381.723 2.723 20 0 GFADRO C[NH+](C)C1(CNC(=O)[C@H]2C[C@@]2(C)c2cccc(Br)c2)CCOCC1 ZINC000631307977 565953774 /nfs/dbraw/zinc/95/37/74/565953774.db2.gz LMEHOJQNSNPQLJ-AEFFLSMTSA-N 1 0 395.341 2.954 20 0 GFADRO O=C(N[C@@H]1CCN(c2ccccc2Br)C1)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653119615 565955517 /nfs/dbraw/zinc/95/55/17/565955517.db2.gz PPJDVKJMUBWNFJ-VNQPRFMTSA-N 1 0 378.314 2.675 20 0 GFADRO O=C(N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653154914 565956352 /nfs/dbraw/zinc/95/63/52/565956352.db2.gz COIKYSBHRSTYEC-BZUAXINKSA-N 1 0 382.291 2.746 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(C(=O)COc3ccccc3Br)C2)C1 ZINC000653185292 565957429 /nfs/dbraw/zinc/95/74/29/565957429.db2.gz ZCKXBWGFRWANLQ-CPUCHLNUSA-N 1 0 397.313 2.573 20 0 GFADRO COCC[NH2+]C1CCN(C(=O)CCc2ccc(Br)cc2F)CC1 ZINC000653180525 565957481 /nfs/dbraw/zinc/95/74/81/565957481.db2.gz MSZZSXRLVUAGMQ-UHFFFAOYSA-N 1 0 387.293 2.748 20 0 GFADRO COc1ccc(C(=O)N2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)cc1Br ZINC000653190786 565958465 /nfs/dbraw/zinc/95/84/65/565958465.db2.gz OIQWPBJSUBLAJI-VBQJREDUSA-N 1 0 397.313 2.816 20 0 GFADRO [NH3+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCOc3ccc(Br)cc31)C2 ZINC000653193076 565958482 /nfs/dbraw/zinc/95/84/82/565958482.db2.gz CRPBDQDJODSAQA-YEWDVWPNSA-N 1 0 379.298 2.903 20 0 GFADRO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCCN2C(=O)Cc2ccccc2Br)C1 ZINC000653265440 565960611 /nfs/dbraw/zinc/96/06/11/565960611.db2.gz PGXHFSGDSQSDJL-HYVNUMGLSA-N 1 0 381.314 2.879 20 0 GFADRO CC[N@@H+]1CCN(C(=O)CCNC(=O)Nc2ccc(Br)cc2)C[C@@H]1C ZINC000677180034 565962829 /nfs/dbraw/zinc/96/28/29/565962829.db2.gz OAJQEENUJSKJCJ-ZDUSSCGKSA-N 1 0 397.317 2.513 20 0 GFADRO CC[C@H](NC(=O)c1cnn(CC[NH+](C)C)c1)c1nc(C(F)(F)F)cs1 ZINC000631581937 565962963 /nfs/dbraw/zinc/96/29/63/565962963.db2.gz QWGSIYOBWUPJHD-NSHDSACASA-N 1 0 375.420 2.801 20 0 GFADRO COc1ccc([C@@H](CNS(=O)(=O)CCC(C)(F)F)[NH+]2CCCC2)cc1 ZINC000631652164 565965347 /nfs/dbraw/zinc/96/53/47/565965347.db2.gz YSBJMAJCQAGUPD-MRXNPFEDSA-N 1 0 376.469 2.797 20 0 GFADRO O=S(=O)(NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1cncc(Cl)c1 ZINC000677239490 565965486 /nfs/dbraw/zinc/96/54/86/565965486.db2.gz SWNPLVPWJAUPLX-MRXNPFEDSA-N 1 0 379.913 2.926 20 0 GFADRO C[NH+](C)C[C@@H]1CN(S(=O)(=O)c2cc(F)cc(Cl)c2)c2ccccc2O1 ZINC000677315314 565969515 /nfs/dbraw/zinc/96/95/15/565969515.db2.gz YCHKMLZLSRWZCV-CQSZACIVSA-N 1 0 384.860 2.997 20 0 GFADRO O=S(=O)(NC1CC[NH+](CC2CC2)CC1)c1cscc1Br ZINC000631773043 565973721 /nfs/dbraw/zinc/97/37/21/565973721.db2.gz UAUHLLSTWZIATI-UHFFFAOYSA-N 1 0 379.345 2.663 20 0 GFADRO C[C@H](Cc1ccccc1Br)NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC000631786756 565974549 /nfs/dbraw/zinc/97/45/49/565974549.db2.gz DQTFZEHBXKRNBH-CYBMUJFWSA-N 1 0 379.302 2.568 20 0 GFADRO CCCCN(C1CC(C)(C)[NH2+]C(C)(C)C1)S(=O)(=O)c1c[nH]c(=O)s1 ZINC000631798839 565975918 /nfs/dbraw/zinc/97/59/18/565975918.db2.gz AARBZFCYXPSEDV-UHFFFAOYSA-N 1 0 375.560 2.949 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(Cl)c(NS(C)(=O)=O)c2)C[C@@H]1C ZINC000607119308 565978136 /nfs/dbraw/zinc/97/81/36/565978136.db2.gz ABDJZRURNKRJIS-JSGCOSHPSA-N 1 0 387.933 2.656 20 0 GFADRO Brc1cccc(Cc2noc(CN3CCC[C@H]4C[NH2+]CC[C@@H]43)n2)c1 ZINC000631885880 565980041 /nfs/dbraw/zinc/98/00/41/565980041.db2.gz CEWLBAMDQRXCCM-HOCLYGCPSA-N 1 0 391.313 2.997 20 0 GFADRO C[C@@H](NS(=O)(=O)CCCN1CC[NH+](C)CC1)c1cc2ccccc2s1 ZINC000631918440 565983599 /nfs/dbraw/zinc/98/35/99/565983599.db2.gz CJVLKMIBNGQLQN-OAHLLOKOSA-N 1 0 381.567 2.519 20 0 GFADRO O=S(=O)(c1cscc1Br)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000631939218 565984848 /nfs/dbraw/zinc/98/48/48/565984848.db2.gz VIAASVKWIJFHHF-NSHDSACASA-N 1 0 379.345 2.521 20 0 GFADRO CC[NH+](CC)CCN(CCOC)C(=O)c1cc(Br)ccc1OC ZINC000607494943 565984992 /nfs/dbraw/zinc/98/49/92/565984992.db2.gz ABUAPLKQIMJNKR-UHFFFAOYSA-N 1 0 387.318 2.888 20 0 GFADRO C[C@@H]1CC2(CN1S(=O)(=O)c1cscc1Br)CC[NH2+]CC2 ZINC000631946462 565985871 /nfs/dbraw/zinc/98/58/71/565985871.db2.gz AYGCVHRWWBSZJK-SNVBAGLBSA-N 1 0 379.345 2.663 20 0 GFADRO CCn1ccnc1[C@@H](C)NC(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000654004912 565989612 /nfs/dbraw/zinc/98/96/12/565989612.db2.gz REFXELHGGPOPBC-GFCCVEGCSA-N 1 0 381.885 2.740 20 0 GFADRO C[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2cc([O-])cc(F)c2)[C@H]1c1cccs1 ZINC000632028103 565992610 /nfs/dbraw/zinc/99/26/10/565992610.db2.gz UWTXFUJXIXECSG-SJCJKPOMSA-N 1 0 384.498 2.954 20 0 GFADRO Cc1ccc(C[C@H](CO)CNC(=O)[C@@H]2CCCC[N@H+]2C)cc1Br ZINC000654074146 565995136 /nfs/dbraw/zinc/99/51/36/565995136.db2.gz VATIQFDANGZRCH-RDJZCZTQSA-N 1 0 383.330 2.509 20 0 GFADRO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NS(=O)(=O)Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000608045871 565999735 /nfs/dbraw/zinc/99/97/35/565999735.db2.gz FDWFLCUXYAMSEX-DOMZBBRYSA-N 1 0 380.432 2.733 20 0 GFADRO CC(C)(C)[N@@H+]1CCCN(c2ccc(S(N)(=O)=O)cc2C(F)(F)F)CC1 ZINC000608081017 566003794 /nfs/dbraw/zinc/00/37/94/566003794.db2.gz MBCNINFWIOOVPB-UHFFFAOYSA-N 1 0 379.448 2.663 20 0 GFADRO C[NH+](C)C(C)(C)CNC(=O)[C@@H](c1ccc(Cl)cc1Cl)N1CCOCC1 ZINC000608103938 566004599 /nfs/dbraw/zinc/00/45/99/566004599.db2.gz ZPPGDLFOWAFVTI-MRXNPFEDSA-N 1 0 388.339 2.823 20 0 GFADRO CC(C)(CO)[NH+]1CCN(Cc2cnn(-c3ccc(Br)cc3)c2)CC1 ZINC000678269190 566004889 /nfs/dbraw/zinc/00/48/89/566004889.db2.gz OIAPOTQKLOXORT-UHFFFAOYSA-N 1 0 393.329 2.523 20 0 GFADRO Cc1cc(S(=O)(=O)N(C)CCC2CCN(c3cc[nH+]cc3)CC2)sn1 ZINC000632171675 566007039 /nfs/dbraw/zinc/00/70/39/566007039.db2.gz AHWMXINBRPWYJR-UHFFFAOYSA-N 1 0 380.539 2.774 20 0 GFADRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)c1cc(Br)c2nccn2c1 ZINC000632202932 566009978 /nfs/dbraw/zinc/00/99/78/566009978.db2.gz OHZGLSLVSMTFGO-LBPRGKRZSA-N 1 0 379.302 2.899 20 0 GFADRO CC[N@@H+]1C[C@@H](C)N(C(=O)c2ccc3cncc(Br)c3n2)C[C@@H]1C ZINC000632216356 566010278 /nfs/dbraw/zinc/01/02/78/566010278.db2.gz GEHDQLREMYFDEG-NWDGAFQWSA-N 1 0 377.286 2.947 20 0 GFADRO C[NH+](C)CCc1ccc(CNS(=O)(=O)c2onc(C3CC3)c2Cl)cc1 ZINC000632262131 566014392 /nfs/dbraw/zinc/01/43/92/566014392.db2.gz JUXQHSAPIVEFJY-UHFFFAOYSA-N 1 0 383.901 2.788 20 0 GFADRO C[C@@H]([NH2+]Cc1cc(Br)ccc1OC(F)F)[C@@H]1CN(C)CCO1 ZINC000678623152 566014851 /nfs/dbraw/zinc/01/48/51/566014851.db2.gz IDDADMQTOSSNFF-YGRLFVJLSA-N 1 0 379.245 2.859 20 0 GFADRO O[C@@H](COc1ccc(Cl)c(Cl)c1)C[N@@H+]1CCC[C@@H]1CN1CCOCC1 ZINC000608501545 566015887 /nfs/dbraw/zinc/01/58/87/566015887.db2.gz DTVKGQXNPTWCQI-HUUCEWRRSA-N 1 0 389.323 2.530 20 0 GFADRO O=C(N[C@H](CO)c1cccc(Br)c1)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000654729159 566020629 /nfs/dbraw/zinc/02/06/29/566020629.db2.gz DAGHWKJMDIMJEU-GVDBMIGSSA-N 1 0 396.329 2.799 20 0 GFADRO CC[C@@H]([NH2+]CCCN(C)S(C)(=O)=O)c1cc(F)cc(Br)c1 ZINC000678923910 566024462 /nfs/dbraw/zinc/02/44/62/566024462.db2.gz GTYJXLQDPFFEAZ-CQSZACIVSA-N 1 0 381.311 2.910 20 0 GFADRO C[C@H](Oc1ccc(Cl)cc1Br)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000654834120 566025162 /nfs/dbraw/zinc/02/51/62/566025162.db2.gz UVINXDYNZOBQMQ-QJPTWQEYSA-N 1 0 387.705 2.938 20 0 GFADRO CC[N@H+](CCNC(=O)c1cc(F)ccc1I)C(C)C ZINC000608839061 566025973 /nfs/dbraw/zinc/02/59/73/566025973.db2.gz YFLUGVBCOVDSCI-UHFFFAOYSA-N 1 0 378.229 2.890 20 0 GFADRO Cc1ccc(-c2csc(NC(=O)C(=O)NC[C@H]3C[C@@H]([NH+](C)C)C3)n2)s1 ZINC000654890379 566027984 /nfs/dbraw/zinc/02/79/84/566027984.db2.gz UNCMCBZSDQHPBG-TXEJJXNPSA-N 1 0 378.523 2.575 20 0 GFADRO CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1c(F)cccc1OC(F)(F)F ZINC000632408491 566029426 /nfs/dbraw/zinc/02/94/26/566029426.db2.gz IFKFYAHWIMJPNR-UHFFFAOYSA-N 1 0 384.395 2.829 20 0 GFADRO CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cc(C)c(Br)s1 ZINC000632407792 566029852 /nfs/dbraw/zinc/02/98/52/566029852.db2.gz GYSWEPMECAWKAK-UHFFFAOYSA-N 1 0 381.361 2.924 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc(I)c(F)c1 ZINC000609164291 566032658 /nfs/dbraw/zinc/03/26/58/566032658.db2.gz LEXZGSQWPDGJEB-KGLIPLIRSA-N 1 0 388.224 2.787 20 0 GFADRO C[N@H+](CCc1ccc(Br)cc1)CC(=O)NC(=O)NCc1ccco1 ZINC000609316074 566035999 /nfs/dbraw/zinc/03/59/99/566035999.db2.gz XAIGYXCGMGSKPX-UHFFFAOYSA-N 1 0 394.269 2.542 20 0 GFADRO CC[NH+](CC)CC[C@@H](CO)NC(=O)[C@@H]1CCOc2ccc(Br)cc21 ZINC000655049825 566038143 /nfs/dbraw/zinc/03/81/43/566038143.db2.gz WQWAZOBBURLOIP-LSDHHAIUSA-N 1 0 399.329 2.524 20 0 GFADRO COc1cc(C)c(Br)cc1NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC000632482177 566038642 /nfs/dbraw/zinc/03/86/42/566038642.db2.gz VBPWPKGIAWZXLT-UHFFFAOYSA-N 1 0 381.274 2.777 20 0 GFADRO CCOC(=O)CN(C)C(=O)C[N@H+](Cc1cccc(Br)c1)C(C)C ZINC000609536432 566042790 /nfs/dbraw/zinc/04/27/90/566042790.db2.gz CZJQAMXEKQKVMJ-UHFFFAOYSA-N 1 0 385.302 2.681 20 0 GFADRO O=C(CCC[S@](=O)c1ccc(Br)cc1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000609548727 566044747 /nfs/dbraw/zinc/04/47/47/566044747.db2.gz ZXILSCSSVIPYIK-PSLXWICFSA-N 1 0 399.354 2.690 20 0 GFADRO C[C@@H](NC(=O)N[C@@H](CCO)c1ccccc1Br)C1CC[NH+](C)CC1 ZINC000679781299 566052134 /nfs/dbraw/zinc/05/21/34/566052134.db2.gz QSFBWUCVWLAYSX-DYVFJYSZSA-N 1 0 398.345 2.902 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)CCC[N@H+]1CCNC(=O)C[C@@H]1C ZINC000679821239 566053531 /nfs/dbraw/zinc/05/35/31/566053531.db2.gz HWRKGBHQRNFIFA-AWEZNQCLSA-N 1 0 396.329 2.995 20 0 GFADRO Cc1ccc(OC[C@H](O)C[NH2+][C@H](CO)c2ccc(Br)cc2)cc1 ZINC000679832361 566055210 /nfs/dbraw/zinc/05/52/10/566055210.db2.gz PQWWJISWNINDSS-SJLPKXTDSA-N 1 0 380.282 2.820 20 0 GFADRO [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)CCc1c(Cl)cccc1Cl ZINC000655457825 566057069 /nfs/dbraw/zinc/05/70/69/566057069.db2.gz FSOWALHQBWYBNO-CYBMUJFWSA-N 1 0 386.323 2.772 20 0 GFADRO O=C(NC[C@@H]1CCN(c2cccc(Br)c2)C1)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC000655445798 566057630 /nfs/dbraw/zinc/05/76/30/566057630.db2.gz NABGMRAQNBCDOQ-POZUXBRTSA-N 1 0 392.341 2.781 20 0 GFADRO CC(=O)NC1CCC([N@H+](C)Cc2cn3cc(Br)ccc3n2)CC1 ZINC000680121062 566063514 /nfs/dbraw/zinc/06/35/14/566063514.db2.gz PUJVWUFAUDFFCP-UHFFFAOYSA-N 1 0 379.302 2.976 20 0 GFADRO Cc1c(Br)cccc1CS(=O)(=O)N(C)[C@H]1CC[N@@H+](C)C[C@H]1C ZINC000655523590 566063904 /nfs/dbraw/zinc/06/39/04/566063904.db2.gz LQHKTYZQYLXRFU-WBMJQRKESA-N 1 0 389.359 2.859 20 0 GFADRO Cc1c(Br)cccc1CS(=O)(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000655527974 566063996 /nfs/dbraw/zinc/06/39/96/566063996.db2.gz CLQZECQZMGXGGP-CABCVRRESA-N 1 0 387.343 2.756 20 0 GFADRO COc1cc(C(=O)N2CCC[C@H]3C[NH2+]CC[C@@H]32)cc(Br)c1OC ZINC000632874095 566072285 /nfs/dbraw/zinc/07/22/85/566072285.db2.gz DGBZDJPEEZHVJV-FZMZJTMJSA-N 1 0 383.286 2.680 20 0 GFADRO Cc1c(Br)cccc1CS(=O)(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000655608729 566072615 /nfs/dbraw/zinc/07/26/15/566072615.db2.gz HSCYKAQTMUYQMC-AWEZNQCLSA-N 1 0 375.332 2.613 20 0 GFADRO Cc1c(Br)cccc1CS(=O)(=O)N1CCC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000655610057 566072792 /nfs/dbraw/zinc/07/27/92/566072792.db2.gz YXEXZTUWZNXJQI-XJKSGUPXSA-N 1 0 387.343 2.613 20 0 GFADRO C[NH+](C)[C@H]1C[C@@H](CNS(=O)(=O)c2cc(Cl)c(Br)cc2F)C1 ZINC000655632250 566074373 /nfs/dbraw/zinc/07/43/73/566074373.db2.gz IDVOOTOIRQEIPS-DTORHVGOSA-N 1 0 399.713 2.860 20 0 GFADRO CN(C[C@H](O)C[NH3+])C(=O)Nc1nc([C@@H]2CCC[C@H](C(F)(F)F)C2)cs1 ZINC000632954701 566076215 /nfs/dbraw/zinc/07/62/15/566076215.db2.gz AZSLTCFODUVLEV-OUAUKWLOSA-N 1 0 380.436 2.763 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000633046552 566080787 /nfs/dbraw/zinc/08/07/87/566080787.db2.gz DEUWRUUSOULYJZ-CQSZACIVSA-N 1 0 396.329 2.899 20 0 GFADRO O=S(=O)(N[C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1cc(F)ccc1Br ZINC000655668139 566080780 /nfs/dbraw/zinc/08/07/80/566080780.db2.gz BLBXEJCDDQTGAN-KBPBESRZSA-N 1 0 391.306 2.883 20 0 GFADRO Cc1cc(NC(=O)C(=O)N[C@H]2CC[NH2+]CC(C)(C)C2)ccc1Br ZINC000633047871 566082036 /nfs/dbraw/zinc/08/20/36/566082036.db2.gz ZDHTVXXCWNLZNY-ZDUSSCGKSA-N 1 0 382.302 2.590 20 0 GFADRO Brc1ccc(N2CC[C@@H]([NH2+]C3CCN([C@@H]4CCOC4)CC3)C2)cc1 ZINC000655709401 566082886 /nfs/dbraw/zinc/08/28/86/566082886.db2.gz ZCBDCZQVQKEZTN-IEBWSBKVSA-N 1 0 394.357 2.871 20 0 GFADRO Brc1ccc(N2CC[C@H]([NH2+]C3CCN([C@H]4CCOC4)CC3)C2)cc1 ZINC000655709400 566083235 /nfs/dbraw/zinc/08/32/35/566083235.db2.gz ZCBDCZQVQKEZTN-HKUYNNGSSA-N 1 0 394.357 2.871 20 0 GFADRO OC[C@@H](NC1CC[NH+](C[C@H]2CCCO2)CC1)c1cccc(Br)c1 ZINC000655733696 566085541 /nfs/dbraw/zinc/08/55/41/566085541.db2.gz QAOUAHGJZIELGX-QZTJIDSGSA-N 1 0 383.330 2.716 20 0 GFADRO Cc1nn(-c2cccc(Br)c2)cc1C[NH2+][C@@H]1C(=O)NCC[C@@H]1C ZINC000655769891 566088641 /nfs/dbraw/zinc/08/86/41/566088641.db2.gz RLAWLNUPCYDRIL-ZBEGNZNMSA-N 1 0 377.286 2.557 20 0 GFADRO CC[C@@H]([NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1)[C@H]1CCCCO1 ZINC000655855452 566092982 /nfs/dbraw/zinc/09/29/82/566092982.db2.gz DTRAPLPSPYIWSZ-ZIAGYGMSSA-N 1 0 391.331 2.534 20 0 GFADRO [NH3+]C[C@@H](NC(=O)N(CCCO)Cc1ccc(Cl)c(Cl)c1)C(F)(F)F ZINC000655915919 566095228 /nfs/dbraw/zinc/09/52/28/566095228.db2.gz SBDQSECGKATFIH-GFCCVEGCSA-N 1 0 388.217 2.777 20 0 GFADRO [NH3+]C[C@H](NC(=O)N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1)C(F)(F)F ZINC000655915366 566095594 /nfs/dbraw/zinc/09/55/94/566095594.db2.gz MYVQCPQITZDRTG-NEPJUHHUSA-N 1 0 386.201 2.966 20 0 GFADRO [NH3+]C[C@@H](NC(=O)N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1)C(F)(F)F ZINC000655928604 566096286 /nfs/dbraw/zinc/09/62/86/566096286.db2.gz MSKKOFUUWXUSON-BXKDBHETSA-N 1 0 385.217 2.761 20 0 GFADRO CC[C@@H](Cc1ccccc1Br)NC(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000655922335 566097125 /nfs/dbraw/zinc/09/71/25/566097125.db2.gz UFAKPIWNBWKLRC-CMPLNLGQSA-N 1 0 382.224 2.959 20 0 GFADRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)N[C@@H]2[C@@H]3Cc4c(cccc4Br)[C@@H]32)C1 ZINC000633338255 566098208 /nfs/dbraw/zinc/09/82/08/566098208.db2.gz QDDVBGXIDNESJM-LFFLFIJJSA-N 1 0 378.314 2.727 20 0 GFADRO COc1cc(C[NH+](C)C)ccc1NC(=O)CCn1cc(Br)cn1 ZINC000633372540 566099286 /nfs/dbraw/zinc/09/92/86/566099286.db2.gz NNSFULVJOQMAIX-UHFFFAOYSA-N 1 0 381.274 2.745 20 0 GFADRO Cc1csc(-c2ccc(S(=O)(=O)N3CC[C@H]4C[NH2+]C[C@H]4CC3)cc2)n1 ZINC000655951722 566099388 /nfs/dbraw/zinc/09/93/88/566099388.db2.gz DLQCZWYSFMKXLZ-IYBDPMFKSA-N 1 0 377.535 2.739 20 0 GFADRO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)C(=O)NCCCc1c(Cl)cccc1Cl ZINC000656022274 566101111 /nfs/dbraw/zinc/10/11/11/566101111.db2.gz DUMXRZJJBKCIOF-WBMJQRKESA-N 1 0 386.323 2.676 20 0 GFADRO COCC1(C[NH2+]C[C@@H](O)COc2ccc(Cl)cc2Br)CC1 ZINC000656154887 566106891 /nfs/dbraw/zinc/10/68/91/566106891.db2.gz AVWYFACZUMIZIS-GFCCVEGCSA-N 1 0 378.694 2.858 20 0 GFADRO C[C@H](C[NH2+]C[C@H](O)COc1c(Cl)cccc1Cl)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656153390 566106927 /nfs/dbraw/zinc/10/69/27/566106927.db2.gz QMSFIPFESDIFNN-KBXIAJHMSA-N 1 0 391.339 2.820 20 0 GFADRO O=C(c1cccc(Br)c1)N1CCc2[nH]cnc2C12CCOCC2 ZINC000633524628 566108231 /nfs/dbraw/zinc/10/82/31/566108231.db2.gz MXAZSULSXMJIPF-UHFFFAOYSA-N 1 0 376.254 2.876 20 0 GFADRO CN(CCCC[NH+](C)C)C(=O)c1cccc(F)c1I ZINC000611004274 566110138 /nfs/dbraw/zinc/11/01/38/566110138.db2.gz PSWHJHOFURIWFP-UHFFFAOYSA-N 1 0 378.229 2.844 20 0 GFADRO C[NH+](C)CCn1cc(C(=O)N2CC3(CC3)c3ccc(Br)cc32)cn1 ZINC000633677458 566113681 /nfs/dbraw/zinc/11/36/81/566113681.db2.gz XIDKYWIECDSZJJ-UHFFFAOYSA-N 1 0 389.297 2.899 20 0 GFADRO Cc1nn(-c2cccc(Br)c2)cc1C[N@@H+]1CC[C@H](n2cncn2)C1 ZINC000656255425 566117946 /nfs/dbraw/zinc/11/79/46/566117946.db2.gz JIZLPXHERXJNEG-KRWDZBQOSA-N 1 0 387.285 2.982 20 0 GFADRO Cc1nn(-c2ccccc2Br)cc1C[N@@H+]1CC[C@H](n2cncn2)C1 ZINC000656255629 566119201 /nfs/dbraw/zinc/11/92/01/566119201.db2.gz LCJJKHPGJDJNTO-HNNXBMFYSA-N 1 0 387.285 2.982 20 0 GFADRO O=C(CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)c1cncc(Br)c1 ZINC000633931120 566131625 /nfs/dbraw/zinc/13/16/25/566131625.db2.gz UONJCTMQMFMINH-OAHLLOKOSA-N 1 0 380.286 2.550 20 0 GFADRO CN(c1ccc(C[NH2+]Cc2c[nH]nc2-c2ccsc2)cc1)S(C)(=O)=O ZINC000681975503 566136184 /nfs/dbraw/zinc/13/61/84/566136184.db2.gz GBRQPEAOPHPQQN-UHFFFAOYSA-N 1 0 376.507 2.824 20 0 GFADRO O=C(c1cnc2ncc(Br)cc2c1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000682000911 566137701 /nfs/dbraw/zinc/13/77/01/566137701.db2.gz CIRZPAURGFXAPX-CYBMUJFWSA-N 1 0 389.297 2.950 20 0 GFADRO COC[C@@H]([NH2+]Cc1cn(-c2ccccc2Br)nn1)C1CCOCC1 ZINC000682133389 566144923 /nfs/dbraw/zinc/14/49/23/566144923.db2.gz JEHXUOJCUUJMOH-MRXNPFEDSA-N 1 0 395.301 2.561 20 0 GFADRO COC[C@@H]([NH2+]CC(=O)Nc1ccc(Br)cc1C)C1CCOCC1 ZINC000682134437 566145858 /nfs/dbraw/zinc/14/58/58/566145858.db2.gz ZPCUEJJWYQZAAM-MRXNPFEDSA-N 1 0 385.302 2.727 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)C(=O)N[C@@H](C)C1CC[NH+](C)CC1 ZINC000682193155 566146642 /nfs/dbraw/zinc/14/66/42/566146642.db2.gz XAFQELOLSFTAJY-LBPRGKRZSA-N 1 0 382.302 2.543 20 0 GFADRO O[C@H](COc1cc(F)cc(Br)c1)C[N@@H+]1CCC[C@H](n2ccnc2)C1 ZINC000682187303 566146700 /nfs/dbraw/zinc/14/67/00/566146700.db2.gz SCNRUAHEGIPCMW-HOTGVXAUSA-N 1 0 398.276 2.862 20 0 GFADRO Cc1c(Br)cccc1NC(=O)C(=O)N[C@H](C)C1CC[NH+](C)CC1 ZINC000682193117 566147086 /nfs/dbraw/zinc/14/70/86/566147086.db2.gz WPXIFQODGGGFHH-GFCCVEGCSA-N 1 0 382.302 2.543 20 0 GFADRO CC(C)[NH2+][C@@H]1CCCN(C[C@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000682218110 566147723 /nfs/dbraw/zinc/14/77/23/566147723.db2.gz DCAHBZQMLLEJNO-CVEARBPZSA-N 1 0 389.309 2.790 20 0 GFADRO CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)Nc2ccc(Br)cc2F)C1 ZINC000682352198 566150704 /nfs/dbraw/zinc/15/07/04/566150704.db2.gz LRZIXZGBZXGFMZ-GFCCVEGCSA-N 1 0 386.265 2.516 20 0 GFADRO C[C@@H]1CCC[C@@H](C[NH2+]C[C@H](O)COc2cc(F)cc(Br)c2)O1 ZINC000656709663 566155790 /nfs/dbraw/zinc/15/57/90/566155790.db2.gz CSWHZVUJZGTGJR-UGFHNGPFSA-N 1 0 376.266 2.875 20 0 GFADRO CC(C)(C[NH2+]C1CCN(S(C)(=O)=O)CC1)c1ccc(C(F)(F)F)cc1 ZINC000682500790 566158965 /nfs/dbraw/zinc/15/89/65/566158965.db2.gz KTUYFNIZIBDRAO-UHFFFAOYSA-N 1 0 378.460 2.997 20 0 GFADRO C[C@@H](NC(=O)C1([NH+](C)C)CC1)c1nc(-c2ccc(Br)cc2)no1 ZINC000612401296 566160057 /nfs/dbraw/zinc/16/00/57/566160057.db2.gz SUHNRBSUSJRLIJ-SNVBAGLBSA-N 1 0 379.258 2.771 20 0 GFADRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(=O)NCc2ccc(Cl)c(Cl)c2)C1 ZINC000612416717 566161114 /nfs/dbraw/zinc/16/11/14/566161114.db2.gz SUCMTWYPASGASC-CQSZACIVSA-N 1 0 386.323 2.704 20 0 GFADRO C[C@H]([NH2+]CCn1ccc(C(F)(F)F)n1)c1cccc(NS(C)(=O)=O)c1 ZINC000634687770 566170576 /nfs/dbraw/zinc/17/05/76/566170576.db2.gz YUNHFAFVZAFBCE-NSHDSACASA-N 1 0 376.404 2.624 20 0 GFADRO O[C@H](C[NH2+]CC1(c2cccc(Br)c2)CCC1)CC1(O)CCOCC1 ZINC000634700633 566170862 /nfs/dbraw/zinc/17/08/62/566170862.db2.gz CRLGWJWSMCSNTE-KRWDZBQOSA-N 1 0 398.341 2.753 20 0 GFADRO Cc1cc(F)c(Br)cc1NC(=O)C(=O)N(C)CCCC[NH+](C)C ZINC000682788896 566171439 /nfs/dbraw/zinc/17/14/39/566171439.db2.gz ABTCYHPIZOETRH-UHFFFAOYSA-N 1 0 388.281 2.635 20 0 GFADRO CC1(C)Cc2c(cccc2Br)[C@@H]1[NH2+]C[C@H](O)CC1(O)CCOCC1 ZINC000634713790 566172293 /nfs/dbraw/zinc/17/22/93/566172293.db2.gz BBDPMTSMTXQXDA-DYVFJYSZSA-N 1 0 398.341 2.955 20 0 GFADRO Cn1ncc(Br)c1C[NH2+]C[C@@H](O)Cc1ccccc1C(F)(F)F ZINC000634726289 566173722 /nfs/dbraw/zinc/17/37/22/566173722.db2.gz PNTUCDKKTZBBGE-NSHDSACASA-N 1 0 392.219 2.895 20 0 GFADRO CCCC[N@H+](C)CCNS(=O)(=O)c1cc(Br)c(F)cc1OC ZINC000656901064 566178505 /nfs/dbraw/zinc/17/85/05/566178505.db2.gz LNNJCVWKHKAPTE-UHFFFAOYSA-N 1 0 397.310 2.607 20 0 GFADRO CCCOC[C@H](Cc1cccc(Br)c1)NC(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000612902094 566179517 /nfs/dbraw/zinc/17/95/17/566179517.db2.gz QAGGYEMZFUVIMS-WMZOPIPTSA-N 1 0 398.345 2.838 20 0 GFADRO C[NH+](C)C[C@H]1CCN(S(=O)(=O)c2cc(Cl)cc(Br)c2)C1 ZINC000656905589 566179984 /nfs/dbraw/zinc/17/99/84/566179984.db2.gz YRAQKBRRLWJRMP-SNVBAGLBSA-N 1 0 381.723 2.675 20 0 GFADRO O=C(N[C@H]1CC12CC[NH2+]CC2)N1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000612966447 566180570 /nfs/dbraw/zinc/18/05/70/566180570.db2.gz PIURTGCUJIWRQW-HOTGVXAUSA-N 1 0 394.313 2.674 20 0 GFADRO CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000612978968 566181335 /nfs/dbraw/zinc/18/13/35/566181335.db2.gz CTDXUMLWUWXKBF-RCBQFDQVSA-N 1 0 396.329 2.966 20 0 GFADRO O=C(N[C@@H]1CC12CC[NH2+]CC2)N[C@@H]1CCOc2c(Br)cccc21 ZINC000612990867 566181403 /nfs/dbraw/zinc/18/14/03/566181403.db2.gz YAMSHMYGWOIYKH-ZIAGYGMSSA-N 1 0 380.286 2.714 20 0 GFADRO O=C(N[C@H]1CC12CC[NH2+]CC2)N[C@H]1CCOc2c(Br)cccc21 ZINC000612990864 566181484 /nfs/dbraw/zinc/18/14/84/566181484.db2.gz YAMSHMYGWOIYKH-KBPBESRZSA-N 1 0 380.286 2.714 20 0 GFADRO COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)N[C@@H](C)C1CC[NH+](C)CC1 ZINC000683022995 566182279 /nfs/dbraw/zinc/18/22/79/566182279.db2.gz XVTSNPXFCKSMLS-JTQLQIEISA-N 1 0 388.295 2.787 20 0 GFADRO CC[NH+](CC)CCO[C@@H]1CCN(S(=O)(=O)CCc2ccccc2Cl)C1 ZINC000656925847 566184599 /nfs/dbraw/zinc/18/45/99/566184599.db2.gz YYTUXULEAXIXSN-QGZVFWFLSA-N 1 0 388.961 2.645 20 0 GFADRO CN(C)[C@@H](C[NH2+][C@H]1CCCS(=O)(=O)CC1)c1cccc(C(F)(F)F)c1 ZINC000634975518 566186317 /nfs/dbraw/zinc/18/63/17/566186317.db2.gz AKLNAESZPIZRHY-HOTGVXAUSA-N 1 0 378.460 2.865 20 0 GFADRO CC[N@@H+]1C[C@H](C)N(C(=O)c2cc(Br)cc3[nH]c(=O)[nH]c32)C[C@@H]1C ZINC000613146932 566186444 /nfs/dbraw/zinc/18/64/44/566186444.db2.gz AHHFXDJKQVMCAS-UWVGGRQHSA-N 1 0 381.274 2.586 20 0 GFADRO C[C@H](CC(F)(F)F)CS(=O)(=O)N1C[C@@H](C[NH+](C)C)Oc2ccccc21 ZINC000656934499 566186953 /nfs/dbraw/zinc/18/69/53/566186953.db2.gz IHJOEDPHTVNAKU-CHWSQXEVSA-N 1 0 380.432 2.734 20 0 GFADRO O=S1(=O)CCC[C@H]([NH2+][C@H]2CCN(c3ccccc3C(F)(F)F)C2)CC1 ZINC000634977287 566187116 /nfs/dbraw/zinc/18/71/16/566187116.db2.gz VZBOXDKFZWDPED-KBPBESRZSA-N 1 0 376.444 2.841 20 0 GFADRO COc1cc(Br)c2nc(N3CCC[C@H]([NH+](C)C)C3)nc(N)c2c1 ZINC000683185665 566187890 /nfs/dbraw/zinc/18/78/90/566187890.db2.gz ZWCIDKARSYQRIR-JTQLQIEISA-N 1 0 380.290 2.514 20 0 GFADRO COc1cccc([C@@H](CNC(=O)C(=O)Nc2cscc2Cl)[NH+](C)C)c1 ZINC000635027699 566189770 /nfs/dbraw/zinc/18/97/70/566189770.db2.gz XRUPJPCIKPVWSL-OAHLLOKOSA-N 1 0 381.885 2.768 20 0 GFADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2cscc2Cl)[C@H](C)C1 ZINC000635056415 566191808 /nfs/dbraw/zinc/19/18/08/566191808.db2.gz PRJUBFMASCYVCK-OCCSQVGLSA-N 1 0 387.933 2.593 20 0 GFADRO CC1([NH+]2CCCC2)CCN(C(=O)C(=O)Nc2ccccc2Br)CC1 ZINC000635254278 566201814 /nfs/dbraw/zinc/20/18/14/566201814.db2.gz AXTDKWOZWGGPNP-UHFFFAOYSA-N 1 0 394.313 2.865 20 0 GFADRO C[N@@H+]1CCC[C@@H](NC(=O)NCc2cnn(-c3ccc(Br)cc3)c2)C1 ZINC000683542962 566204059 /nfs/dbraw/zinc/20/40/59/566204059.db2.gz XMKOAGTXZDMDCG-OAHLLOKOSA-N 1 0 392.301 2.528 20 0 GFADRO C[C@@H]([NH2+]Cc1c(Br)cnn1C)[C@H](c1ccccc1)N1CCOCC1 ZINC000683763892 566213115 /nfs/dbraw/zinc/21/31/15/566213115.db2.gz HZYAMFDUKRPJDF-RDTXWAMCSA-N 1 0 393.329 2.734 20 0 GFADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)c2cc(F)c(Cl)c(N)c2Cl)CC1 ZINC000635559179 566219010 /nfs/dbraw/zinc/21/90/10/566219010.db2.gz GLYYDEYYXJZUHV-NSHDSACASA-N 1 0 391.318 2.718 20 0 GFADRO C[C@@H]([NH2+][C@@H]1CCN(CCN2CCOCC2)C1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000683939749 566219417 /nfs/dbraw/zinc/21/94/17/566219417.db2.gz KNBDBLJNSLCKPO-WCXIOVBPSA-N 1 0 383.989 2.890 20 0 GFADRO C[C@@H](NC(=O)N1CCN(c2cc[nH+]cc2)CC1)c1ccc(Br)cn1 ZINC000684410675 566235541 /nfs/dbraw/zinc/23/55/41/566235541.db2.gz GYCWYIRPEALJSR-CYBMUJFWSA-N 1 0 390.285 2.832 20 0 GFADRO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccccc1-c1ccccc1-c1nn[nH]n1 ZINC000736293131 598827317 /nfs/dbraw/zinc/82/73/17/598827317.db2.gz NJVGQUZAYDRYLV-HZPDHXFCSA-N 1 0 388.475 2.842 20 0 GFADRO C[C@]1(c2ccccc2)CCC[N@H+](CC(=O)Nc2cccc(-c3nn[nH]n3)c2)C1 ZINC000736229568 598833317 /nfs/dbraw/zinc/83/33/17/598833317.db2.gz NJYVHJIMGFVQBU-NRFANRHFSA-N 1 0 376.464 2.859 20 0 GFADRO Cc1ccc(C[C@@H]2CCC[N@@H+]2CC(=O)Nc2cccc(-c3nn[nH]n3)c2)cc1 ZINC000737335481 598833536 /nfs/dbraw/zinc/83/35/36/598833536.db2.gz UWTIKFVLIUEHTJ-IBGZPJMESA-N 1 0 376.464 2.821 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCN(c2ccc(Cl)cc2)C1=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000736129721 598879514 /nfs/dbraw/zinc/87/95/14/598879514.db2.gz FJORCOLSVHOQOO-YVEFUNNKSA-N 1 0 382.855 2.976 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)NCc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000736268395 598879724 /nfs/dbraw/zinc/87/97/24/598879724.db2.gz TXUPVKACRYERGX-AEFFLSMTSA-N 1 0 397.527 2.663 20 0 GFADRO O[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(OCc2cccc(-c3nn[nH]n3)c2)c1 ZINC000738391637 598900918 /nfs/dbraw/zinc/90/09/18/598900918.db2.gz YOLYSZQMHFZQDK-WOJBJXKFSA-N 1 0 379.464 2.839 20 0 GFADRO CC(C)[C@H](CNc1c2ccccc2nnc1-c1nn[nH]n1)[NH+]1CCC(C)CC1 ZINC000736276335 598958071 /nfs/dbraw/zinc/95/80/71/598958071.db2.gz OIWXDNIZQVKFRO-KRWDZBQOSA-N 1 0 380.500 2.978 20 0 GFADRO CCOc1cccc([C@@H](C)[NH2+][C@H]2CCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)c1 ZINC000736654580 598960827 /nfs/dbraw/zinc/96/08/27/598960827.db2.gz KOKZEVDEHWDLMR-KUHUBIRLSA-N 1 0 392.463 2.722 20 0 GFADRO CO[C@H](C)C[N@H+](CCC(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)C(C)C ZINC000736961825 598993433 /nfs/dbraw/zinc/99/34/33/598993433.db2.gz MSUYTJFUXXSXHR-GFCCVEGCSA-N 1 0 380.880 2.594 20 0 GFADRO c1cc(C[NH+]2CCCCC2)cc(-c2noc(-c3ccc(-c4nn[nH]n4)nc3)n2)c1 ZINC000738411122 599010893 /nfs/dbraw/zinc/01/08/93/599010893.db2.gz QYUBLFQHDHDHKU-UHFFFAOYSA-N 1 0 388.435 2.965 20 0 GFADRO CC(C)[N@H+](C)CCNC(=O)c1cccc(COc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000735857224 599032397 /nfs/dbraw/zinc/03/23/97/599032397.db2.gz PFKMLUTYIKAAKZ-UHFFFAOYSA-N 1 0 394.479 2.516 20 0 GFADRO C[NH+](C)CCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)[C@H]1C[C@H]1C1CCCCC1 ZINC000736767182 599071587 /nfs/dbraw/zinc/07/15/87/599071587.db2.gz NJGYEEFPTXGYIS-PMACEKPBSA-N 1 0 396.539 2.973 20 0 GFADRO Cc1nc(C)c(C[NH+]2CCC(C(=O)Nc3cccc(-c4nn[nH]n4)c3)CC2)s1 ZINC000737472861 599134637 /nfs/dbraw/zinc/13/46/37/599134637.db2.gz AZOIAWDDUMUQQL-UHFFFAOYSA-N 1 0 397.508 2.791 20 0 GFADRO Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](Cc3ccccc3)C2)c(-c2nn[nH]n2)c1C ZINC000737548974 599136198 /nfs/dbraw/zinc/13/61/98/599136198.db2.gz SJSIGWXJTNGVSV-PBHICJAKSA-N 1 0 394.479 2.968 20 0 GFADRO Cc1cccc([C@H]2CCC[N@@H+]2CC(=O)NCc2cccc(-c3nn[nH]n3)c2)c1C ZINC000737390172 599136286 /nfs/dbraw/zinc/13/62/86/599136286.db2.gz QZCFKTZWSRFOFI-HXUWFJFHSA-N 1 0 390.491 2.937 20 0 GFADRO CC(C)c1ccc(CCC[NH2+][C@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000735922695 599210269 /nfs/dbraw/zinc/21/02/69/599210269.db2.gz IDKBKEYEBRRZTB-IBGZPJMESA-N 1 0 378.480 2.739 20 0 GFADRO C[N@@H+]1CC[C@H](C(=O)Nc2ccc(Oc3ccccc3-c3nn[nH]n3)c(F)c2)C1 ZINC000821622195 599221187 /nfs/dbraw/zinc/22/11/87/599221187.db2.gz VUOCKNUNRFEZQV-LBPRGKRZSA-N 1 0 382.399 2.688 20 0 GFADRO CCN(C)C(=O)CC[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)Cc1cccc(F)c1 ZINC000821160668 607264500 /nfs/dbraw/zinc/26/45/00/607264500.db2.gz OIZXEGAYANGCEM-UHFFFAOYSA-N 1 0 396.470 2.876 20 0 GFADRO Cc1c(NC(=O)NC[C@H](C)[N@H+](C)Cc2ccccc2)cccc1-c1nn[nH]n1 ZINC000822096363 607284942 /nfs/dbraw/zinc/28/49/42/607284942.db2.gz LKOFVFXOYRFUKH-AWEZNQCLSA-N 1 0 379.468 2.817 20 0 GFADRO Cc1cccc2c1ncc(-c1nn[nH]n1)c2NC[C@@H](c1cccc(F)c1)[NH+](C)C ZINC000737410841 599257335 /nfs/dbraw/zinc/25/73/35/599257335.db2.gz UMKXRFKFLSTMAG-SFHVURJKSA-N 1 0 391.454 2.999 20 0 GFADRO CC(C)[NH+]1CCC(N2CCN(c3cc(Cl)ccc3-c3nn[nH]n3)CC2)CC1 ZINC000820127017 607331584 /nfs/dbraw/zinc/33/15/84/607331584.db2.gz HDVSKDUSMGXCQK-UHFFFAOYSA-N 1 0 389.935 2.515 20 0 GFADRO O=C(C[NH2+][C@@H](c1ccccc1)C1CCC1)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000737891150 598248534 /nfs/dbraw/zinc/24/85/34/598248534.db2.gz HKVQMZWDKRVZAW-FQEVSTJZSA-N 1 0 376.464 2.614 20 0 GFADRO Cc1ccccc1[C@@H]1CC[N@@H+]([C@H]2CCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)C1 ZINC000737425193 598255344 /nfs/dbraw/zinc/25/53/44/598255344.db2.gz ZZEHXVPAZSIOJX-XLIONFOSSA-N 1 0 388.475 2.770 20 0 GFADRO Cc1cc(Oc2ccc(-c3nn[nH]n3)cc2)ccc1NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000737278625 598259046 /nfs/dbraw/zinc/25/90/46/598259046.db2.gz CBJHKOXDOWZPJN-HNNXBMFYSA-N 1 0 378.436 2.858 20 0 GFADRO O=C(NCc1ccc(-c2nn[nH]n2)cc1F)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000738100919 598299675 /nfs/dbraw/zinc/29/96/75/598299675.db2.gz UOGGWGFREBILMO-SFHVURJKSA-N 1 0 394.454 2.534 20 0 GFADRO CC(C)[NH+]1CCC(NC(=S)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)CC1 ZINC000735873871 598318160 /nfs/dbraw/zinc/31/81/60/598318160.db2.gz ANXTVKKBBVNZFY-UHFFFAOYSA-N 1 0 379.921 2.679 20 0 GFADRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=S)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000736266785 598321808 /nfs/dbraw/zinc/32/18/08/598321808.db2.gz PCOIJFNWHMARLC-NEPJUHHUSA-N 1 0 393.948 2.927 20 0 GFADRO C[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CCN1c1nc2ccccc2o1 ZINC000736288783 598364692 /nfs/dbraw/zinc/36/46/92/598364692.db2.gz UHRLUTXBSOIFQL-CQSZACIVSA-N 1 0 375.436 2.719 20 0 GFADRO C[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(Oc2cccc(F)c2-c2nn[nH]n2)cc1 ZINC000736859777 598408972 /nfs/dbraw/zinc/40/89/72/598408972.db2.gz JJBSNBIIEBECIK-AWEZNQCLSA-N 1 0 396.426 2.622 20 0 GFADRO CC(C)N(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)N[C@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000736266897 598429551 /nfs/dbraw/zinc/42/95/51/598429551.db2.gz PZJBSKGSSRICKE-DLBZAZTESA-N 1 0 399.543 2.907 20 0 GFADRO CC(C)N(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)NC[C@@H](C)[NH+]1CCC(C)CC1 ZINC000736275268 598429702 /nfs/dbraw/zinc/42/97/02/598429702.db2.gz BHNXNUCIYNUWED-QGZVFWFLSA-N 1 0 399.543 2.907 20 0 GFADRO COc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2ccccc2-c2nn[nH]n2)cc1F ZINC000737073479 598453835 /nfs/dbraw/zinc/45/38/35/598453835.db2.gz RSJCHJLLUNGZTA-RYUDHWBXSA-N 1 0 384.415 2.692 20 0 GFADRO C[C@@H]1CO[C@@H](c2ccccc2)C[N@@H+]1CCC(=O)Nc1ccccc1-c1nn[nH]n1 ZINC000736291554 598460723 /nfs/dbraw/zinc/46/07/23/598460723.db2.gz FPHNCZNNGFYXQO-DNVCBOLYSA-N 1 0 392.463 2.657 20 0 GFADRO C[C@H](C[N@H+](C)[C@H]1CCN(c2ccc(-c3nn[nH]n3)cc2)C1=O)c1ccccc1 ZINC000735999235 598462133 /nfs/dbraw/zinc/46/21/33/598462133.db2.gz CJOIXLQAGHEIPP-BEFAXECRSA-N 1 0 376.464 2.708 20 0 GFADRO C[NH+](C)CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)c1ccc2[nH]ccc2c1 ZINC000736767334 598462417 /nfs/dbraw/zinc/46/24/17/598462417.db2.gz OVJNMMWKAYYCPJ-UHFFFAOYSA-N 1 0 389.463 2.552 20 0 GFADRO O[C@H](COc1ccc(-c2nn[nH]n2)cc1)C[N@@H+]1CCC[C@H](c2ccccc2)CC1 ZINC000738387189 598463767 /nfs/dbraw/zinc/46/37/67/598463767.db2.gz OARHLEUPTZCBBN-ICSRJNTNSA-N 1 0 393.491 2.876 20 0 GFADRO CC(C)C[C@@H](C)CC(=O)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000735762246 598495914 /nfs/dbraw/zinc/49/59/14/598495914.db2.gz VMLMXZQKIAFTQT-QGZVFWFLSA-N 1 0 384.528 2.973 20 0 GFADRO Cc1cc(NC[C@@H](C)[N@H+](C)C2CC2)n2c3ccccc3nc2c1-c1nn[nH]n1 ZINC000737274619 598523193 /nfs/dbraw/zinc/52/31/93/598523193.db2.gz PGDXBZVEVWXIRY-CYBMUJFWSA-N 1 0 376.468 2.871 20 0 GFADRO CC(C)(C)[C@H]([NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1ccc(F)cc1 ZINC000735589701 598527238 /nfs/dbraw/zinc/52/72/38/598527238.db2.gz NTMMQUFARCHDCE-BLLLJJGKSA-N 1 0 384.463 2.621 20 0 GFADRO CC(C)Sc1ccc([C@H](C)[NH2+]C[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)cc1 ZINC000735921334 598529074 /nfs/dbraw/zinc/52/90/74/598529074.db2.gz PHSZVULRUAIGPP-KBPBESRZSA-N 1 0 398.540 2.956 20 0 GFADRO CC(C)Sc1ccc([C@H](C)[NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)cc1 ZINC000735921336 598529092 /nfs/dbraw/zinc/52/90/92/598529092.db2.gz PHSZVULRUAIGPP-UONOGXRCSA-N 1 0 398.540 2.956 20 0 GFADRO CC(C)Oc1ccc(-c2nn[nH]n2)cc1NC(=O)N1CCC[N@@H+](C(C)C)CC1 ZINC000735904748 598532787 /nfs/dbraw/zinc/53/27/87/598532787.db2.gz AQDKJMRLPIHHSR-UHFFFAOYSA-N 1 0 387.488 2.602 20 0 GFADRO CNC(=O)c1ccc(C[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC(C)C)cc1 ZINC000736878060 598558196 /nfs/dbraw/zinc/55/81/96/598558196.db2.gz RRBQHWDXVBIWDA-UHFFFAOYSA-N 1 0 378.480 2.885 20 0 GFADRO Cc1cnn(CC[NH2+]Cc2cccc(OCc3ccccc3-c3nn[nH]n3)c2)c1 ZINC000737448170 598562108 /nfs/dbraw/zinc/56/21/08/598562108.db2.gz MNRBLOKQOXJZGX-UHFFFAOYSA-N 1 0 389.463 2.740 20 0 GFADRO C[C@@H](CNc1ccc(Cl)c(-c2nn[nH]n2)n1)[NH+]1CCN(c2ccccc2)CC1 ZINC000736025459 598574654 /nfs/dbraw/zinc/57/46/54/598574654.db2.gz GXPLLGMIYFTUCT-AWEZNQCLSA-N 1 0 398.902 2.538 20 0 GFADRO CC(C)[C@@H](CNC(=O)Nc1ccc(F)c(-c2nn[nH]n2)c1)[NH+]1CCC(C)CC1 ZINC000736279475 598624588 /nfs/dbraw/zinc/62/45/88/598624588.db2.gz YCGSOPQOFKCJAE-QGZVFWFLSA-N 1 0 389.479 2.884 20 0 GFADRO Fc1cccc(N2CCN(c3cc[nH+]c4ccccc43)CC2)c1-c1nn[nH]n1 ZINC000737662560 598650281 /nfs/dbraw/zinc/65/02/81/598650281.db2.gz VUQWYZXUSFYNBH-UHFFFAOYSA-N 1 0 375.411 2.881 20 0 GFADRO CN(C(=O)OC(C)(C)C)[C@H]1CCC[N@H+](Cc2ccc(F)cc2-c2nn[nH]n2)C1 ZINC000736750163 598684146 /nfs/dbraw/zinc/68/41/46/598684146.db2.gz UNSWCWZAGWTSNG-HNNXBMFYSA-N 1 0 390.463 2.837 20 0 GFADRO CC(C)[C@H](C[NH+](C)C)NC(=O)c1cccc(Oc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000735707177 598701323 /nfs/dbraw/zinc/70/13/23/598701323.db2.gz GYOJZWZTGPFXFZ-IBGZPJMESA-N 1 0 394.479 2.975 20 0 GFADRO C[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)C[C@@H](O)c1ccc(Br)cc1 ZINC000736823298 598759507 /nfs/dbraw/zinc/75/95/07/598759507.db2.gz VKFRGCCDOITUTM-MRXNPFEDSA-N 1 0 388.269 2.795 20 0 GFADRO CC(C)[N@@H+]1CC[C@H](CNC(=O)Nc2ccc(-c3nn[nH]n3)c(C(F)(F)F)c2)C1 ZINC000820127569 599293890 /nfs/dbraw/zinc/29/38/90/599293890.db2.gz JQPSAXFJDNEPCB-LLVKDONJSA-N 1 0 397.405 2.737 20 0 GFADRO FC(F)(F)c1cc([C@H]2CCC[N@H+](Cc3ccccc3-c3nn[nH]n3)C2)[nH]n1 ZINC000737631549 599315532 /nfs/dbraw/zinc/31/55/32/599315532.db2.gz GLHSEQROOUVHPJ-LBPRGKRZSA-N 1 0 377.374 2.988 20 0 GFADRO C[C@@H](CNC(=O)[C@H](C)[NH2+][C@H](C)c1cccc(-c2nn[nH]n2)c1)c1ccccc1 ZINC000820411863 599386159 /nfs/dbraw/zinc/38/61/59/599386159.db2.gz JYMXKLHOJIGIEM-XHSDSOJGSA-N 1 0 378.480 2.826 20 0 GFADRO COc1ccc(C[NH2+][C@@H](C)c2ccc(-n3cccn3)cc2)cc1-c1nn[nH]n1 ZINC000821804052 599397794 /nfs/dbraw/zinc/39/77/94/599397794.db2.gz JCMIBVOPIDVNCT-AWEZNQCLSA-N 1 0 375.436 2.912 20 0 GFADRO CC(C)[C@H](CNC(=O)N[C@@H](C)c1cccc(-c2nn[nH]n2)c1)[NH+]1CCC(C)CC1 ZINC000820722940 599409570 /nfs/dbraw/zinc/40/95/70/599409570.db2.gz RVUGGBBTSSIDEC-LPHOPBHVSA-N 1 0 399.543 2.983 20 0 GFADRO COc1ccc(C[NH2+][C@H](c2ccc3c(c2)OCCO3)C2CC2)cc1-c1nn[nH]n1 ZINC000821805312 599412356 /nfs/dbraw/zinc/41/23/56/599412356.db2.gz SYKXBOSEQNZLCV-FQEVSTJZSA-N 1 0 393.447 2.887 20 0 GFADRO C[C@H](NC(=O)NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1cccc(-c2nn[nH]n2)c1 ZINC000820650542 599417867 /nfs/dbraw/zinc/41/78/67/599417867.db2.gz VQKLHBHSNDINEF-ZACQAIPSSA-N 1 0 399.543 2.985 20 0 GFADRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@H](C)c1cccc(-c2nn[nH]n2)c1 ZINC000821066186 599439256 /nfs/dbraw/zinc/43/92/56/599439256.db2.gz RMHZGOJHEHVAJB-CRAIPNDOSA-N 1 0 385.516 2.882 20 0 GFADRO COc1ccc(C[NH2+]CCOc2ccc(-c3nn[nH]n3)cc2)c(Cl)c1OC ZINC000821813880 599450625 /nfs/dbraw/zinc/45/06/25/599450625.db2.gz NSUWEGMTXYXCIY-UHFFFAOYSA-N 1 0 389.843 2.706 20 0 GFADRO C[C@@H](C[NH2+]Cc1cnc2ccc(-c3nn[nH]n3)cn12)Oc1ccc(Cl)cc1 ZINC000820276744 599462030 /nfs/dbraw/zinc/46/20/30/599462030.db2.gz YEDNXQHJGSJLKV-LBPRGKRZSA-N 1 0 383.843 2.725 20 0 GFADRO O[C@@H](C[NH+]1CCC(CNc2ccc(F)cc2-c2nn[nH]n2)CC1)c1ccccc1 ZINC000823672532 599535675 /nfs/dbraw/zinc/53/56/75/599535675.db2.gz FFFKNRYARAMOED-FQEVSTJZSA-N 1 0 396.470 2.863 20 0 GFADRO CC[NH+](CC)CCNC(=O)c1cccc(Nc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000736531216 599561744 /nfs/dbraw/zinc/56/17/44/599561744.db2.gz UADUMXFVHJEFNI-UHFFFAOYSA-N 1 0 379.468 2.682 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cccc(Nc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000736571376 599562158 /nfs/dbraw/zinc/56/21/58/599562158.db2.gz PIDPUWJRVRQZJU-LJQANCHMSA-N 1 0 391.479 2.824 20 0 GFADRO c1ccc(N2CCC[N@@H+](CCc3ccc4c(c3)CCO4)CC2)c(-c2nn[nH]n2)c1 ZINC000823786984 599563353 /nfs/dbraw/zinc/56/33/53/599563353.db2.gz GOEIHPGFQOWDNV-UHFFFAOYSA-N 1 0 390.491 2.556 20 0 GFADRO O=C(N[C@H]1CC[N@@H+](C2CC2)C1)c1cccc(Nc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000738026508 599565306 /nfs/dbraw/zinc/56/53/06/599565306.db2.gz TUAJTKFGKKFZFO-SFHVURJKSA-N 1 0 389.463 2.577 20 0 GFADRO Cc1ccccc1[C@@H]1C[C@H](C)[N@@H+](CC(=O)Nc2cccc(-c3nn[nH]n3)c2)C1 ZINC000737422606 599584749 /nfs/dbraw/zinc/58/47/49/599584749.db2.gz QJCJFCAOPGEISN-DOTOQJQBSA-N 1 0 376.464 2.992 20 0 GFADRO C[C@@H]1CCN(CCOc2ccc(-c3nn[nH]n3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000820722883 599591827 /nfs/dbraw/zinc/59/18/27/599591827.db2.gz RALWJAKEHDLUJJ-GOSISDBHSA-N 1 0 392.507 2.842 20 0 GFADRO COc1ccccc1[C@@H]1CC[N@H+](CCC(=O)Nc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000737146673 599592589 /nfs/dbraw/zinc/59/25/89/599592589.db2.gz JCSLSSNXYMHIMY-MRXNPFEDSA-N 1 0 392.463 2.693 20 0 GFADRO O[C@@H](C[C@@H]1CCC[N@@H+]1CCOc1ccccc1-c1nn[nH]n1)c1ccccc1 ZINC000823673307 599593653 /nfs/dbraw/zinc/59/36/53/599593653.db2.gz KOBSHTICISPTDY-HKUYNNGSSA-N 1 0 379.464 2.834 20 0 GFADRO CO[C@]1(C)C[C@@H]([NH2+][C@H](C)C(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)C1(C)C ZINC000821679189 599664681 /nfs/dbraw/zinc/66/46/81/599664681.db2.gz YGNKQLFJYZLDTG-MAZCYNQFSA-N 1 0 392.891 2.640 20 0 GFADRO CC[NH+](CC)CC1CCN(C(=O)N[C@H](C)c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000821181163 599681384 /nfs/dbraw/zinc/68/13/84/599681384.db2.gz KHAOKGOKERIWHC-OAHLLOKOSA-N 1 0 385.516 2.691 20 0 GFADRO CC(C)CN(CC[NH+](C)C)C(=O)Nc1ccc(OC(C)C)c(-c2nn[nH]n2)c1 ZINC000820086639 607428871 /nfs/dbraw/zinc/42/88/71/607428871.db2.gz CTTFFXUCSHTWIA-UHFFFAOYSA-N 1 0 389.504 2.705 20 0 GFADRO CC(C)Oc1ccc(NC(=O)N2CCC[C@H]2C[NH+]2CCCC2)cc1-c1nn[nH]n1 ZINC000820166383 607429600 /nfs/dbraw/zinc/42/96/00/607429600.db2.gz XMYCUMRPCJGOKX-INIZCTEOSA-N 1 0 399.499 2.746 20 0 GFADRO CC(C)Oc1ccc(NC(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)cc1-c1nn[nH]n1 ZINC000820165864 607432447 /nfs/dbraw/zinc/43/24/47/607432447.db2.gz QWCKFCRMEVNKIQ-MRXNPFEDSA-N 1 0 399.499 2.746 20 0 GFADRO CCS[C@H]1CC[C@H]([N@H+](C)CC(=O)Nc2oc(C)c(C)c2-c2nn[nH]n2)C1 ZINC000821447715 607454766 /nfs/dbraw/zinc/45/47/66/607454766.db2.gz KEPWVUYJVVBJBI-STQMWFEESA-N 1 0 378.502 2.621 20 0 GFADRO COc1ccc(-c2nn[nH]n2)cc1C[NH2+]C1(c2ccc(F)cc2)CCOCC1 ZINC000826184309 607464893 /nfs/dbraw/zinc/46/48/93/607464893.db2.gz SFMMPFVOEBHWSS-UHFFFAOYSA-N 1 0 383.427 2.810 20 0 GFADRO Cc1oc(NC(=O)C[NH2+][C@@]2(C)CCCc3ccccc32)c(-c2nn[nH]n2)c1C ZINC000826342048 607465157 /nfs/dbraw/zinc/46/51/57/607465157.db2.gz WNXPDJMOHQQJGI-FQEVSTJZSA-N 1 0 380.452 2.856 20 0 GFADRO CC[C@@H](O)C[N@H+](Cc1cn2ccccc2c1-c1nn[nH]n1)Cc1ccccc1 ZINC000825154847 607473518 /nfs/dbraw/zinc/47/35/18/607473518.db2.gz URUKVWJGQGSJIQ-GOSISDBHSA-N 1 0 376.464 2.893 20 0 GFADRO OCCC[N@H+](CCOc1cccc(-c2nn[nH]n2)c1)Cc1cccc(Cl)c1 ZINC000826510108 607473886 /nfs/dbraw/zinc/47/38/86/607473886.db2.gz YBEXGULAIQKGBS-UHFFFAOYSA-N 1 0 387.871 2.784 20 0 GFADRO CC(C)(C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)c1ccc2c(c1)OCCO2 ZINC000819983898 607476203 /nfs/dbraw/zinc/47/62/03/607476203.db2.gz JPZCFNTWSYFIAZ-UHFFFAOYSA-N 1 0 383.427 2.844 20 0 GFADRO COC1CC[NH+](C2(CNCc3ccc(-c4nn[nH]n4)cc3F)CCCC2)CC1 ZINC000821679643 607480910 /nfs/dbraw/zinc/48/09/10/607480910.db2.gz GIZWIIFPGWTMFF-UHFFFAOYSA-N 1 0 388.491 2.519 20 0 GFADRO c1c(CN2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c(-c2nn[nH]n2)c2ccccn12 ZINC000826524886 607478995 /nfs/dbraw/zinc/47/89/95/607478995.db2.gz NWZIAQJDWXKXJE-QAPCUYQASA-N 1 0 377.496 2.568 20 0 GFADRO COc1cccc(N2CCC[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3F)C2)c1 ZINC000821872760 607482701 /nfs/dbraw/zinc/48/27/01/607482701.db2.gz PQQMJEDTVCOQTG-MRXNPFEDSA-N 1 0 382.443 2.773 20 0 GFADRO CC[C@H]1Oc2cc([C@H](C)[NH2+]Cc3ccc(-c4nn[nH]n4)cc3F)ccc2NC1=O ZINC000821000317 607485398 /nfs/dbraw/zinc/48/53/98/607485398.db2.gz CUZSIFYNZCVUBG-APPDUMDISA-N 1 0 396.426 2.966 20 0 GFADRO Cn1ccnc1C[C@H]([NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)c1ccccc1 ZINC000822698952 607486388 /nfs/dbraw/zinc/48/63/88/607486388.db2.gz JJFHKFIOYFTALL-SFHVURJKSA-N 1 0 377.427 2.813 20 0 GFADRO COc1ccc(C[N@@H+]2CCC[C@@H](c3noc(C(C)C)n3)C2)cc1-c1nn[nH]n1 ZINC000826194595 607493402 /nfs/dbraw/zinc/49/34/02/607493402.db2.gz QHZJIPGUETUWAW-CQSZACIVSA-N 1 0 383.456 2.761 20 0 GFADRO COc1ccc(CN2CCC[C@H](C[NH+]3CCCCCC3)C2)cc1-c1nn[nH]n1 ZINC000826194823 607494734 /nfs/dbraw/zinc/49/47/34/607494734.db2.gz XLZPEYXCGFELCI-GOSISDBHSA-N 1 0 384.528 2.963 20 0 GFADRO CC(C)c1ncc(C(=O)N(CC[NH+](C)C)Cc2cccc(-c3nn[nH]n3)c2)s1 ZINC000820206065 607499813 /nfs/dbraw/zinc/49/98/13/607499813.db2.gz BYOQUNABFRYVOM-UHFFFAOYSA-N 1 0 399.524 2.651 20 0 GFADRO Cc1ccc(CC[N@@H+](Cc2ccnc(-c3nn[nH]n3)c2)C[C@H]2CCCO2)cc1 ZINC000826287715 607508560 /nfs/dbraw/zinc/50/85/60/607508560.db2.gz ZVNMCMCCFOUXRH-LJQANCHMSA-N 1 0 378.480 2.794 20 0 GFADRO COc1ccc(OC2CC[NH+](Cc3cc(-c4nn[nH]n4)ccc3OC)CC2)cc1 ZINC000826210855 607518196 /nfs/dbraw/zinc/51/81/96/607518196.db2.gz HMMWGOVAJVRLLK-UHFFFAOYSA-N 1 0 395.463 2.927 20 0 GFADRO COc1ccc(C[NH2+]Cc2ccc(OCC(F)F)cc2)cc1-c1nn[nH]n1 ZINC000826202906 607568130 /nfs/dbraw/zinc/56/81/30/607568130.db2.gz RZIJRGKEEDEQFO-UHFFFAOYSA-N 1 0 375.379 2.809 20 0 GFADRO COc1ccc(C[NH2+]Cc2cnc(-c3ccncc3)s2)cc1-c1nn[nH]n1 ZINC000826203051 607568401 /nfs/dbraw/zinc/56/84/01/607568401.db2.gz XOIXGXGJGMDARE-UHFFFAOYSA-N 1 0 379.449 2.684 20 0 GFADRO COc1ccc(-c2nn[nH]n2)cc1CN(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000826181637 607637003 /nfs/dbraw/zinc/63/70/03/607637003.db2.gz IIHYDLWNCGHUDK-GOSISDBHSA-N 1 0 392.507 2.829 20 0 GFADRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)Nc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000824778029 607674700 /nfs/dbraw/zinc/67/47/00/607674700.db2.gz MTVLNLGTDKPRID-AWEZNQCLSA-N 1 0 392.467 2.609 20 0 GFADRO c1ccc2c(c1)-c1ccccc1C2[NH+]1CCN(c2nccnc2-c2nn[nH]n2)CC1 ZINC000826523234 607736266 /nfs/dbraw/zinc/73/62/66/607736266.db2.gz GAVYMARVOOOVFY-UHFFFAOYSA-N 1 0 396.458 2.549 20 0 GFADRO O=C([O-])CCC[NH+]1CCC([NH2+]CCNc2ncc(Cl)cc2Cl)CC1 ZINC000833772857 605222657 /nfs/dbraw/zinc/22/26/57/605222657.db2.gz CXFVWDBBNCHRDW-UHFFFAOYSA-N 1 0 375.300 2.719 20 0 GFADRO C[C@@H](C[C@@H]1CCCN1C(=O)[O-])[NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1 ZINC000824766793 605511589 /nfs/dbraw/zinc/51/15/89/605511589.db2.gz DWDBHEWTKJSQES-LPHOPBHVSA-N 1 0 375.513 2.654 20 0 GFADRO O=C([O-])N1CCC(CC[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)CC1 ZINC000834074581 605897289 /nfs/dbraw/zinc/89/72/89/605897289.db2.gz OFTFPPORSBLSDA-FQEVSTJZSA-N 1 0 375.513 2.513 20 0 GFADRO C[N@H+](CCC(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2)Cc1cccc(O)c1 ZINC000821598102 606070330 /nfs/dbraw/zinc/07/03/30/606070330.db2.gz QTJKCFAFRPNPNZ-UHFFFAOYSA-N 1 0 398.492 2.583 20 0 GFADRO CN(CC[NH+](C)C)C(=O)Nc1ccc(Oc2ccccc2-c2nn[nH]n2)cc1 ZINC000821584651 606151935 /nfs/dbraw/zinc/15/19/35/606151935.db2.gz MSYMNBBVZXWBRC-UHFFFAOYSA-N 1 0 381.440 2.684 20 0 GFADRO Cc1nc(CN2CCC(C[NH2+]Cc3cc(-c4nn[nH]n4)cs3)CC2)oc1C ZINC000822439945 606218869 /nfs/dbraw/zinc/21/88/69/606218869.db2.gz GEYTXNLKOJWWPJ-UHFFFAOYSA-N 1 0 387.513 2.535 20 0 GFADRO Cn1cc(-c2nn[nH]n2)cc1C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000822641690 606283766 /nfs/dbraw/zinc/28/37/66/606283766.db2.gz XEDJUMWMNINVBR-UHFFFAOYSA-N 1 0 393.495 2.511 20 0 GFADRO CCOc1cccc([C@H](C)[NH2+][C@@H]2CCN(c3sccc3-c3nn[nH]n3)C2=O)c1 ZINC000821427543 606302723 /nfs/dbraw/zinc/30/27/23/606302723.db2.gz UUKMOWXIRMVOGE-BLLLJJGKSA-N 1 0 398.492 2.783 20 0 GFADRO C[C@@H]([NH2+]CC1(CN2CCOCC2)CCCCC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000820420934 606308947 /nfs/dbraw/zinc/30/89/47/606308947.db2.gz YFBZEDBUPZDSQF-QGZVFWFLSA-N 1 0 384.528 2.800 20 0 GFADRO C[C@@]1(CCc2ccccc2)CC[N@@H+]([C@@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000820612229 606337772 /nfs/dbraw/zinc/33/77/72/606337772.db2.gz CECCPZTUBMYLJP-DENIHFKCSA-N 1 0 390.491 2.738 20 0 GFADRO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)Nc2ccc(F)cc2-c2nn[nH]n2)C1 ZINC000820709028 606345966 /nfs/dbraw/zinc/34/59/66/606345966.db2.gz CDFGUOPKKUBMGT-LBPRGKRZSA-N 1 0 375.452 2.638 20 0 GFADRO Cc1ccc(C(=O)N2CCC([NH2+]Cc3ccc(-c4nn[nH]n4)s3)CC2)cc1 ZINC000822226082 606416923 /nfs/dbraw/zinc/41/69/23/606416923.db2.gz BYUHNUMHMSOOMZ-UHFFFAOYSA-N 1 0 382.493 2.631 20 0 GFADRO Fc1cccc(F)c1CN1CCC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC000822792534 606419234 /nfs/dbraw/zinc/41/92/34/606419234.db2.gz ZXKZUPMTDDMOLW-LBPRGKRZSA-N 1 0 390.463 2.961 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)C[C@H]1C ZINC000821254885 606428307 /nfs/dbraw/zinc/42/83/07/606428307.db2.gz PKUMLBQHXLTKPM-YPMHNXCESA-N 1 0 377.880 2.857 20 0 GFADRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1-c1nn[nH]n1)[C@@H]1Oc2ccccc2[C@H]1C ZINC000820402719 606472246 /nfs/dbraw/zinc/47/22/46/606472246.db2.gz FKOXNVLNRYEKEG-VYGYDYRJSA-N 1 0 392.463 2.737 20 0 GFADRO O=C(NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1)c1cc(-c2nn[nH]n2)cs1 ZINC000823175897 606499936 /nfs/dbraw/zinc/49/99/36/606499936.db2.gz ODANQXIPQYBSOD-INIZCTEOSA-N 1 0 382.493 2.713 20 0 GFADRO c1ccc(CC[N@@H+](CCOc2cccc(-c3nn[nH]n3)c2)[C@@H]2CCOC2)cc1 ZINC000823780736 606526176 /nfs/dbraw/zinc/52/61/76/606526176.db2.gz VDVRRBVHCOBDIA-LJQANCHMSA-N 1 0 379.464 2.579 20 0 GFADRO c1ccc(CC[N@@H+](CCOc2cccc(-c3nn[nH]n3)c2)[C@H]2CCOC2)cc1 ZINC000823780734 606526558 /nfs/dbraw/zinc/52/65/58/606526558.db2.gz VDVRRBVHCOBDIA-IBGZPJMESA-N 1 0 379.464 2.579 20 0 GFADRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1cc(-c2nn[nH]n2)cs1 ZINC000820758825 606537926 /nfs/dbraw/zinc/53/79/26/606537926.db2.gz DLCJVJZAZAFKNO-BBRMVZONSA-N 1 0 382.493 2.569 20 0 GFADRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000820570015 606564471 /nfs/dbraw/zinc/56/44/71/606564471.db2.gz BTGKNEUASKKFKT-MRXNPFEDSA-N 1 0 390.491 2.751 20 0 GFADRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000820759810 606584204 /nfs/dbraw/zinc/58/42/04/606584204.db2.gz NWLOUTUCNBFKMH-DNVCBOLYSA-N 1 0 376.464 2.507 20 0 GFADRO CC(C)[C@@H]([NH2+]Cc1cnc2ccc(-c3nn[nH]n3)cn12)c1nc2ccccc2[nH]1 ZINC000820025692 606639118 /nfs/dbraw/zinc/63/91/18/606639118.db2.gz CBGYNJIHUQEFEP-GOSISDBHSA-N 1 0 387.451 2.878 20 0 GFADRO C[C@H](NC(=O)N(Cc1ccc(-c2nn[nH]n2)cc1)C1CC1)C(C)(C)C[NH+](C)C ZINC000820339504 606640805 /nfs/dbraw/zinc/64/08/05/606640805.db2.gz DCMIRCQTUJHJEH-AWEZNQCLSA-N 1 0 385.516 2.517 20 0 GFADRO COc1cc(C[N@@H+]2CC[C@@H](Nc3ccc(-c4nn[nH]n4)cc3F)C2)cc(OC)c1 ZINC000821717766 606728315 /nfs/dbraw/zinc/72/83/15/606728315.db2.gz XTLCBRXHCVAYBU-OAHLLOKOSA-N 1 0 398.442 2.709 20 0 GFADRO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000820761564 606748120 /nfs/dbraw/zinc/74/81/20/606748120.db2.gz XUPVPQXUUTWDRX-HZPDHXFCSA-N 1 0 390.491 2.753 20 0 GFADRO COC(=O)[C@H](C)[C@@H]([NH2+]CCCOc1ccc(-c2nn[nH]n2)cc1)c1ccccc1 ZINC000821639032 606770766 /nfs/dbraw/zinc/77/07/66/606770766.db2.gz NONOTBSXFCFDAD-DNVCBOLYSA-N 1 0 395.463 2.776 20 0 GFADRO c1ccc2sc(C3C[NH+](CCOc4cccc(-c5nn[nH]n5)c4)C3)nc2c1 ZINC000823762401 606847456 /nfs/dbraw/zinc/84/74/56/606847456.db2.gz OCHJOZYNILYOFJ-UHFFFAOYSA-N 1 0 378.461 2.955 20 0 GFADRO C[C@@H]([NH2+]C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1)c1ccc(OC(F)F)cc1 ZINC000820419559 606850052 /nfs/dbraw/zinc/85/00/52/606850052.db2.gz IDMDAXWRZBJXBI-BDJLRTHQSA-N 1 0 375.379 2.852 20 0 GFADRO O[C@@H](C[NH2+]Cc1cc(F)ccc1Br)c1ccc(-c2nn[nH]n2)cc1 ZINC000823682367 606856571 /nfs/dbraw/zinc/85/65/71/606856571.db2.gz PGCZHRLYTTZCTM-HNNXBMFYSA-N 1 0 392.232 2.592 20 0 GFADRO O[C@@H](C[NH+]1CCC(OCC2CCCCC2)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823675110 606862627 /nfs/dbraw/zinc/86/26/27/606862627.db2.gz UUGJMYWZLMQBMU-FQEVSTJZSA-N 1 0 385.512 2.961 20 0 GFADRO C[C@H]1C[C@H](NC(=O)Nc2ccc(-c3nn[nH]n3)cc2)C[N@@H+]1Cc1ccccc1 ZINC000820656127 606871084 /nfs/dbraw/zinc/87/10/84/606871084.db2.gz DDKFSJPBFYSNAD-KSSFIOAISA-N 1 0 377.452 2.651 20 0 GFADRO Fc1ccc(N2CC[NH+](CCCOc3cccc(-c4nn[nH]n4)c3)CC2)cc1 ZINC000822779575 606885746 /nfs/dbraw/zinc/88/57/46/606885746.db2.gz XLVMXMATKINWCG-UHFFFAOYSA-N 1 0 382.443 2.597 20 0 GFADRO Oc1ccc(CCC2CC[NH+](C[C@H](O)c3ccc(-c4nn[nH]n4)cc3)CC2)cc1 ZINC000823727105 606886500 /nfs/dbraw/zinc/88/65/00/606886500.db2.gz OHELPHCPSZIZAJ-NRFANRHFSA-N 1 0 393.491 2.951 20 0 GFADRO OCCC[N@H+](C[C@H](O)c1ccc(-c2nn[nH]n2)cc1)[C@H]1CCCc2ccccc21 ZINC000823718031 606910079 /nfs/dbraw/zinc/91/00/79/606910079.db2.gz PLIJVTUXHJRMAX-SFTDATJTSA-N 1 0 393.491 2.662 20 0 GFADRO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000820705016 606936428 /nfs/dbraw/zinc/93/64/28/606936428.db2.gz RKRMVRHHXQTGTD-INIZCTEOSA-N 1 0 382.512 2.983 20 0 GFADRO CC(C)c1ncc(C[NH2+]C2CCN(c3ccc(-c4nn[nH]n4)cn3)CC2)s1 ZINC000820206502 606948668 /nfs/dbraw/zinc/94/86/68/606948668.db2.gz NPVDGGUATJPOMK-UHFFFAOYSA-N 1 0 384.513 2.600 20 0 GFADRO O=C(NC1CC[NH+](Cc2ccc(F)c(-c3nn[nH]n3)c2)CC1)C1CCCCC1 ZINC000823155873 606967719 /nfs/dbraw/zinc/96/77/19/606967719.db2.gz ZFHSDOVTILJDRN-UHFFFAOYSA-N 1 0 386.475 2.667 20 0 GFADRO COc1ccc(C2([NH2+]Cc3ccc(F)c(-c4nn[nH]n4)c3)CCOCC2)cc1 ZINC000821782788 606970403 /nfs/dbraw/zinc/97/04/03/606970403.db2.gz NVOIDJQAMTUMTC-UHFFFAOYSA-N 1 0 383.427 2.810 20 0 GFADRO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC000820384560 606983302 /nfs/dbraw/zinc/98/33/02/606983302.db2.gz ICAPRCBFZHMQTC-LSDHHAIUSA-N 1 0 386.500 2.992 20 0 GFADRO C[C@H](Cc1ccc(F)cc1)[NH2+]C1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1 ZINC000820294479 607045829 /nfs/dbraw/zinc/04/58/29/607045829.db2.gz SXPRYWSTXYMMGJ-CQSZACIVSA-N 1 0 381.459 2.590 20 0 GFADRO C[C@@H]([NH2+]C1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1)c1ccc(F)cc1F ZINC000820410753 607046201 /nfs/dbraw/zinc/04/62/01/607046201.db2.gz GMKCMPBTZDJSSS-GFCCVEGCSA-N 1 0 385.422 2.860 20 0 GFADRO C[C@H]([NH2+]C1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1)c1cccnc1Cl ZINC000820420172 607046599 /nfs/dbraw/zinc/04/65/99/607046599.db2.gz NKHCZGUYOMHHAT-LBPRGKRZSA-N 1 0 384.875 2.630 20 0 GFADRO COc1cccc2c1CC[C@@H]2[NH2+]C1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1 ZINC000821877643 607047045 /nfs/dbraw/zinc/04/70/45/607047045.db2.gz OMUIVMQORZRGFK-SFHVURJKSA-N 1 0 391.479 2.516 20 0 GFADRO CC[C@H](Cc1ccccc1)[NH2+]C1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1 ZINC000820914584 607048248 /nfs/dbraw/zinc/04/82/48/607048248.db2.gz PMOBGCCOJPWHMD-GOSISDBHSA-N 1 0 377.496 2.841 20 0 GFADRO C[C@H]1C[N@H+](Cc2cc(F)ccc2-c2nn[nH]n2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000820760315 607067903 /nfs/dbraw/zinc/06/79/03/607067903.db2.gz QAVUTFCUDGVYHG-BLLLJJGKSA-N 1 0 390.463 2.741 20 0 GFADRO CCC1(CC)[C@H]([N@H+](C)Cc2nnc(-c3cccc(-c4nn[nH]n4)c3)o2)C[C@@H]1OC ZINC000820958746 607106506 /nfs/dbraw/zinc/10/65/06/607106506.db2.gz YMOHLCYZDIEVDM-CVEARBPZSA-N 1 0 397.483 2.942 20 0 GFADRO C[N@H+](CCOC(C)(C)C)CCC(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000821603826 607148089 /nfs/dbraw/zinc/14/80/89/607148089.db2.gz QGVXXAUNTBHCRV-UHFFFAOYSA-N 1 0 380.880 2.596 20 0 GFADRO C[C@@H](C(=O)Nc1cccc(-c2nn[nH]n2)c1)[N@@H+]1CCC[C@@H](Nc2ccccc2)C1 ZINC000819877088 607177212 /nfs/dbraw/zinc/17/72/12/607177212.db2.gz OHJUSZQCLGZUQB-HNAYVOBHSA-N 1 0 391.479 2.770 20 0 GFADRO C[C@H](C(=O)Nc1ccccc1-c1nn[nH]n1)[N@@H+]1CCC[C@H](Nc2ccccc2)C1 ZINC000819875669 607177437 /nfs/dbraw/zinc/17/74/37/607177437.db2.gz BFQHDLGJIAUNQD-WBVHZDCISA-N 1 0 391.479 2.770 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(-c3nn[nH]n3)cc2Cl)[C@H](C)C1 ZINC000821254173 607197172 /nfs/dbraw/zinc/19/71/72/607197172.db2.gz KAHOPMONTDNNPD-IAQYHMDHSA-N 1 0 377.880 2.714 20 0 GFADRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)Nc1ccc(-c2nn[nH]n2)cc1Cl ZINC000820709076 607198945 /nfs/dbraw/zinc/19/89/45/607198945.db2.gz CTLRVVFUHOTDGE-NWDGAFQWSA-N 1 0 377.880 2.762 20 0 GFADRO CCC[N@H+](C)C[C@H]1CCN(C(=O)Nc2ccc(-c3nn[nH]n3)cc2Cl)C1 ZINC000821088832 607200781 /nfs/dbraw/zinc/20/07/81/607200781.db2.gz XVYQMPORMONYNM-GFCCVEGCSA-N 1 0 377.880 2.716 20 0 GFADRO C[C@H]([NH2+][C@H](CN1CCCC1=O)c1ccccc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000820413723 607208648 /nfs/dbraw/zinc/20/86/48/607208648.db2.gz UVOHUDKAJCKZEW-HNAYVOBHSA-N 1 0 376.464 2.881 20 0 GFADRO C[C@H]1C[NH+](CCCNc2cc(-c3nn[nH]n3)ccc2C(F)(F)F)C[C@H](C)O1 ZINC000820761051 607227050 /nfs/dbraw/zinc/22/70/50/607227050.db2.gz VVFUPIFROCIHSU-RYUDHWBXSA-N 1 0 384.406 2.797 20 0 GFADRO OC[C@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)Cc1ccc(C(F)(F)F)cc1 ZINC000823706690 607230242 /nfs/dbraw/zinc/23/02/42/607230242.db2.gz NURHOKBEGFAZRF-HNNXBMFYSA-N 1 0 391.397 2.826 20 0 GFADRO O=C(Oc1ccc(-c2nn[nH]n2)cc1F)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000823451127 607246512 /nfs/dbraw/zinc/24/65/12/607246512.db2.gz VNOFWVQLFWEBOF-MRXNPFEDSA-N 1 0 381.411 2.823 20 0 GFADRO C[C@H]1C[C@@H](CCNC(=O)c2cccc(-c3nn[nH]n3)c2)C[N@@H+]1Cc1ccccc1 ZINC000824885096 607795699 /nfs/dbraw/zinc/79/56/99/607795699.db2.gz REDBEQTYHNSPKA-FUHWJXTLSA-N 1 0 390.491 2.897 20 0 GFADRO CC(C)(C)[C@H]1CCCC[C@@H]1[NH2+]CCS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000824079587 607829304 /nfs/dbraw/zinc/82/93/04/607829304.db2.gz PQFPOTWEPYGNFG-IRXDYDNUSA-N 1 0 391.541 2.835 20 0 GFADRO CCC[C@@H](C)[C@H]1CCC[N@@H+]1CCS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000825234223 607829601 /nfs/dbraw/zinc/82/96/01/607829601.db2.gz XOEFVTLOBBKKGB-RHSMWYFYSA-N 1 0 377.514 2.541 20 0 GFADRO C[C@@H]1C[N@H+](C(C)(C)CNc2ccc3cc(-c4nn[nH]n4)ccc3n2)C[C@H](C)O1 ZINC000824978749 607839274 /nfs/dbraw/zinc/83/92/74/607839274.db2.gz WYVYOIJGTRHQAC-OKILXGFUSA-N 1 0 381.484 2.715 20 0 GFADRO Cc1cnc(CC[N@@H+](C)Cc2ccc(-c3nn[nH]n3)cc2OC(F)F)s1 ZINC000826318404 607858354 /nfs/dbraw/zinc/85/83/54/607858354.db2.gz IDVJJPKDBVPNRO-UHFFFAOYSA-N 1 0 380.424 2.908 20 0 GFADRO C[NH+]1CCC([C@H]2CCN(C(=O)Nc3ccc(-c4nn[nH]n4)cc3Cl)C2)CC1 ZINC000826023025 607919750 /nfs/dbraw/zinc/91/97/50/607919750.db2.gz VWIMWVNXUYAPAX-AWEZNQCLSA-N 1 0 389.891 2.716 20 0 GFADRO CC[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000825210017 607942171 /nfs/dbraw/zinc/94/21/71/607942171.db2.gz DSIGVRSJJFTHDN-WBVHZDCISA-N 1 0 386.500 2.992 20 0 GFADRO CCOC(=O)C(F)(F)[C@@H]1CC[C@@H]([NH2+][C@@H](C)c2cccc(-c3nn[nH]n3)c2)C1 ZINC000825493917 608012176 /nfs/dbraw/zinc/01/21/76/608012176.db2.gz QLJWGMFIXJIERT-NILFDRSVSA-N 1 0 379.411 2.884 20 0 GFADRO CC(C)N1CC[NH+](C2CCN(c3ccc(-c4nn[nH]n4)c(Cl)c3)CC2)CC1 ZINC000824301224 608017832 /nfs/dbraw/zinc/01/78/32/608017832.db2.gz TVDZGVVXXQADFE-UHFFFAOYSA-N 1 0 389.935 2.515 20 0 GFADRO C[C@@H](c1ccc(C(F)(F)F)cc1)[N@H+](C)CCCc1[nH]nc(N)c1-c1nn[nH]n1 ZINC000824761836 608033962 /nfs/dbraw/zinc/03/39/62/608033962.db2.gz CVUAUHDRGZPTOG-JTQLQIEISA-N 1 0 394.405 2.816 20 0 GFADRO C[C@H]([NH2+][C@H]1CCCN(c2ccccc2F)C1=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000824545483 608046968 /nfs/dbraw/zinc/04/69/68/608046968.db2.gz CRJMKDHHIHZTMX-GUYCJALGSA-N 1 0 380.427 2.852 20 0 GFADRO Brc1cc(-c2nn[nH]n2)ccc1NC1CC[NH+](CC2CC2)CC1 ZINC000823827374 608047690 /nfs/dbraw/zinc/04/76/90/608047690.db2.gz ZUSGVUYSOBHOEB-UHFFFAOYSA-N 1 0 377.290 2.916 20 0 GFADRO COc1ccc(C[C@@H](C)C[N@H+](C)C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000826191221 608065399 /nfs/dbraw/zinc/06/53/99/608065399.db2.gz AAPVTRCSIRKFOL-FOIQADDNSA-N 1 0 381.480 2.719 20 0 GFADRO CN1CC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)[C@H]1c1ccc(F)c(F)c1 ZINC000826029984 608113715 /nfs/dbraw/zinc/11/37/15/608113715.db2.gz ZBLGKLIDOQHAPI-ZWKOTPCHSA-N 1 0 388.397 2.819 20 0 GFADRO O=C(N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12)c1cccc(-c2nn[nH]n2)c1 ZINC000826430073 608134925 /nfs/dbraw/zinc/13/49/25/608134925.db2.gz SREAMRWRYSEBKR-VAMGGRTRSA-N 1 0 388.475 2.507 20 0 GFADRO COc1ccc(C2(C[NH2+]Cc3cnc4ccc(-c5nn[nH]n5)cn34)CCC2)cc1 ZINC000826189850 608136090 /nfs/dbraw/zinc/13/60/90/608136090.db2.gz HAIMXJNSJFMVFU-UHFFFAOYSA-N 1 0 389.463 2.735 20 0 GFADRO C[C@@H](CCNCc1cn(C)nc1-c1ccc(-c2nn[nH]n2)cc1)[NH+]1CCCCC1 ZINC000824400521 608136277 /nfs/dbraw/zinc/13/62/77/608136277.db2.gz IZSVNFVNXJJCHQ-INIZCTEOSA-N 1 0 394.527 2.621 20 0 GFADRO C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)c1cccc(Nc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000824858035 608202059 /nfs/dbraw/zinc/20/20/59/608202059.db2.gz HBTLDLMURYTZNO-GJZGRUSLSA-N 1 0 391.479 2.775 20 0 GFADRO O=C(CC[NH+]1CCC(Cc2cccnc2)CC1)Nc1cccc(-c2nn[nH]n2)c1 ZINC000826407541 608209595 /nfs/dbraw/zinc/20/95/95/608209595.db2.gz RCSFFEYZLHRLCA-UHFFFAOYSA-N 1 0 391.479 2.545 20 0 GFADRO O=C([C@@H]1CC12CC[NH+](Cc1ccc(F)cc1-c1nn[nH]n1)CC2)N1CCCCC1 ZINC000826397562 608212772 /nfs/dbraw/zinc/21/27/72/608212772.db2.gz GRXMCFXYDHYTOC-SFHVURJKSA-N 1 0 398.486 2.620 20 0 GFADRO C[C@H]1C[C@H]([NH2+]CCOc2ccc(-c3nn[nH]n3)cc2)CCN1Cc1ccccc1 ZINC000824893850 608281278 /nfs/dbraw/zinc/28/12/78/608281278.db2.gz VSIHSZMDGBLCIZ-FXAWDEMLSA-N 1 0 392.507 2.888 20 0 GFADRO COCCc1nc(C)c([C@H](C)[NH2+]CCOc2ccc(-c3nn[nH]n3)cc2)s1 ZINC000826163018 608283002 /nfs/dbraw/zinc/28/30/02/608283002.db2.gz CJGBWXHGADENHA-LBPRGKRZSA-N 1 0 388.497 2.550 20 0 GFADRO O[C@]1(Cc2cccc(Cl)c2)CC[N@H+](CCOc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000826505960 608379631 /nfs/dbraw/zinc/37/96/31/608379631.db2.gz JEIZNCKIXZPWNJ-FQEVSTJZSA-N 1 0 399.882 2.578 20 0 GFADRO C[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)[C@@H](CO)c1cccc(Br)c1 ZINC000825958381 608380556 /nfs/dbraw/zinc/38/05/56/608380556.db2.gz UEOURJNOBPYQLG-INIZCTEOSA-N 1 0 388.269 2.795 20 0 GFADRO CCCCCCNC(=O)[C@@H]1CCC[N@H+](Cc2cccc(-c3nn[nH]n3)c2F)C1 ZINC000825272093 608388621 /nfs/dbraw/zinc/38/86/21/608388621.db2.gz UHFQBLMACGEQCY-MRXNPFEDSA-N 1 0 388.491 2.914 20 0 GFADRO COc1cc(C)c([C@@H](C)[NH2+]C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)cc1OC ZINC000826177913 608447914 /nfs/dbraw/zinc/44/79/14/608447914.db2.gz ARQNHGZKPVWSFW-CXAGYDPISA-N 1 0 383.452 2.577 20 0 GFADRO CC(C)N(C(=O)[C@H](C)[N@H+]1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1)C(C)C ZINC000824035016 608463131 /nfs/dbraw/zinc/46/31/31/608463131.db2.gz RPMHJPJQZBWQHK-INIZCTEOSA-N 1 0 382.512 2.990 20 0 GFADRO C[C@H]([NH2+]CC(=O)Nc1ccccc1OC(F)F)c1cccc(-c2nn[nH]n2)c1 ZINC000824562055 608485619 /nfs/dbraw/zinc/48/56/19/608485619.db2.gz CEWLCYDRDNWRNR-NSHDSACASA-N 1 0 388.378 2.757 20 0 GFADRO CCc1ccc([C@H](C)NC(=O)C[NH2+][C@@H](C)c2cccc(-c3nn[nH]n3)c2)cc1 ZINC000825705173 608492909 /nfs/dbraw/zinc/49/29/09/608492909.db2.gz XYEKPLXAXTYPNU-GJZGRUSLSA-N 1 0 378.480 2.957 20 0 GFADRO c1cc2c(cc1CC[NH2+][C@@H]1CCCc3cc(-c4nn[nH]n4)ccc31)OCCO2 ZINC000826518689 608497818 /nfs/dbraw/zinc/49/78/18/608497818.db2.gz VFCNQDXZXZPXSQ-GOSISDBHSA-N 1 0 377.448 2.848 20 0 GFADRO c1ccc2c(c1)OCC[C@H]2C[NH+]1CCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826524145 608503954 /nfs/dbraw/zinc/50/39/54/608503954.db2.gz KXXZSWXKXNNCEY-IBGZPJMESA-N 1 0 390.491 2.551 20 0 GFADRO c1cncc(-c2cccc(C[NH+]3CCN(c4ncccc4-c4nn[nH]n4)CC3)c2)c1 ZINC000826525749 608509863 /nfs/dbraw/zinc/50/98/63/608509863.db2.gz XNHGYZDBOSLYQT-UHFFFAOYSA-N 1 0 398.474 2.646 20 0 GFADRO CC[C@@](C)([NH2+]CCS(=O)(=O)c1cccc(-c2nn[nH]n2)c1)c1ccccc1 ZINC000825044654 608510935 /nfs/dbraw/zinc/51/09/35/608510935.db2.gz RGLLEHWJCQETDK-LJQANCHMSA-N 1 0 385.493 2.555 20 0 GFADRO c1csc(-c2n[nH]cc2C[NH+]2CCN(c3ccccc3-c3nn[nH]n3)CC2)c1 ZINC000826526265 608516137 /nfs/dbraw/zinc/51/61/37/608516137.db2.gz RHOODAPITMUULF-UHFFFAOYSA-N 1 0 392.492 2.641 20 0 GFADRO COc1ccc2c(c1)OC[C@H]([NH2+][C@@H]1CCCc3cc(-c4nn[nH]n4)ccc31)C2 ZINC000826213183 608526718 /nfs/dbraw/zinc/52/67/18/608526718.db2.gz NNZUCIRCZWJWAA-VQIMIIECSA-N 1 0 377.448 2.846 20 0 GFADRO O=C(CC[NH2+][C@@H](c1ccccc1)[C@@H]1CCOC1)Nc1sccc1-c1nn[nH]n1 ZINC000826407090 608526887 /nfs/dbraw/zinc/52/68/87/608526887.db2.gz ASGZUCIUAZQNAD-PBHICJAKSA-N 1 0 398.492 2.624 20 0 GFADRO CC(C)[C@H](NC(=O)C[NH2+]C1(c2cccc(-c3nn[nH]n3)c2)CC1)c1ccccc1 ZINC000824193479 608532074 /nfs/dbraw/zinc/53/20/74/608532074.db2.gz YUBCSJYCPAWFHS-FQEVSTJZSA-N 1 0 390.491 2.959 20 0 GFADRO O=C(C[NH2+][C@@H](C[C@@H]1CCOC1)c1ccccc1)Nc1sccc1-c1nn[nH]n1 ZINC000826412323 608552706 /nfs/dbraw/zinc/55/27/06/608552706.db2.gz KGSSOZRPIQQRSN-BBRMVZONSA-N 1 0 398.492 2.624 20 0 GFADRO C[C@H]([NH2+]CC(=O)Nc1cccc(-c2nn[nH]n2)c1)c1cccc(N2CCCC2)c1 ZINC000824563095 608554821 /nfs/dbraw/zinc/55/48/21/608554821.db2.gz LEHJFGAGLWWJFC-HNNXBMFYSA-N 1 0 391.479 2.756 20 0 GFADRO CC(C)(C)OC(=O)C1CCC([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)CC1 ZINC000824092950 608564137 /nfs/dbraw/zinc/56/41/37/608564137.db2.gz CEQKWXUKISMQPQ-UHFFFAOYSA-N 1 0 375.448 2.996 20 0 GFADRO COc1ccc(C[NH2+]C2CCC(Oc3ccc(-c4nn[nH]n4)cn3)CC2)cc1 ZINC000826202586 608569675 /nfs/dbraw/zinc/56/96/75/608569675.db2.gz FISUPLAQDFADJU-UHFFFAOYSA-N 1 0 380.452 2.750 20 0 GFADRO O[C@H](C[NH2+]C(C1CCCC1)C1CCCC1)COc1ccc(-c2nn[nH]n2)cc1 ZINC000826502632 608578804 /nfs/dbraw/zinc/57/88/04/608578804.db2.gz HMHDWQIYFCRENK-GOSISDBHSA-N 1 0 385.512 2.945 20 0 GFADRO CCOC(=O)C(F)(F)[C@@H]1CCC[C@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC000825494651 608579649 /nfs/dbraw/zinc/57/96/49/608579649.db2.gz ZLTQCBYPTRBPRF-KGLIPLIRSA-N 1 0 397.401 2.853 20 0 GFADRO O=C(CC[NH+]1CCC(c2cccnc2)CC1)Nc1sccc1-c1nn[nH]n1 ZINC000826407303 608583662 /nfs/dbraw/zinc/58/36/62/608583662.db2.gz IAFMQQBSXNWQDI-UHFFFAOYSA-N 1 0 383.481 2.531 20 0 GFADRO COc1ccc(C[NH+]2CCC(Oc3cccc(-c4nn[nH]n4)c3)CC2)c(OC)c1 ZINC000826194715 608603214 /nfs/dbraw/zinc/60/32/14/608603214.db2.gz UEZOSXHNBMDWHK-UHFFFAOYSA-N 1 0 395.463 2.927 20 0 GFADRO c1nc2ccc(-c3nn[nH]n3)cn2c1CN1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000826518887 608613927 /nfs/dbraw/zinc/61/39/27/608613927.db2.gz BMRCBOYDTQQKBN-UHFFFAOYSA-N 1 0 394.527 2.602 20 0 GFADRO CC[N@H+](CCC(=O)OC)Cc1cccc(OCc2ccccc2-c2nn[nH]n2)c1 ZINC000825419952 608620966 /nfs/dbraw/zinc/62/09/66/608620966.db2.gz WDOSMDSBAKVAHQ-UHFFFAOYSA-N 1 0 395.463 2.831 20 0 GFADRO O=C(Nc1ccccc1)NC1CC[NH+](Cc2cccc(-c3nn[nH]n3)c2F)CC1 ZINC000826457211 608652669 /nfs/dbraw/zinc/65/26/69/608652669.db2.gz RFXGEANBSSXUPU-UHFFFAOYSA-N 1 0 395.442 2.792 20 0 GFADRO Cc1cc(C[NH+]2CCC(C(=O)Nc3cccc(-c4nn[nH]n4)c3)CC2)c(C)o1 ZINC000826266189 608660154 /nfs/dbraw/zinc/66/01/54/608660154.db2.gz FZTRAKRVGFBNHP-UHFFFAOYSA-N 1 0 380.452 2.927 20 0 GFADRO C[C@@H](CN1CCOCC1)[N@H+](Cc1cc(-c2nn[nH]n2)cs1)Cc1ccccc1 ZINC000824420069 608676656 /nfs/dbraw/zinc/67/66/56/608676656.db2.gz FPXQKYFHYQPBCE-INIZCTEOSA-N 1 0 398.536 2.651 20 0 GFADRO COc1ccccc1C[C@H](C)[N@H+](C)Cc1cnc2ccc(-c3nn[nH]n3)cn12 ZINC000826220029 608680901 /nfs/dbraw/zinc/68/09/01/608680901.db2.gz ZRQZHOMXAJAHCX-AWEZNQCLSA-N 1 0 377.452 2.586 20 0 GFADRO C[C@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)s2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000824983545 608701499 /nfs/dbraw/zinc/70/14/99/608701499.db2.gz BLLZMJVVDAZMEU-WCQYABFASA-N 1 0 378.502 2.663 20 0 GFADRO c1cc(CN2C[C@@H]3CCC[NH2+][C@@H]3C2)cc(OCc2cccc(-c3nn[nH]n3)c2)c1 ZINC000826516081 608710255 /nfs/dbraw/zinc/71/02/55/608710255.db2.gz WIFOKAWGHVWXDH-PZJWPPBQSA-N 1 0 390.491 2.630 20 0 GFADRO Cc1cccc(NC2CC[NH+](Cc3cnc4ccc(-c5nn[nH]n5)cn34)CC2)c1 ZINC000826299685 608721772 /nfs/dbraw/zinc/72/17/72/608721772.db2.gz PYTMSPGLZJMIRN-UHFFFAOYSA-N 1 0 388.479 2.899 20 0 GFADRO CC(C)(C)OC(=O)N1CC[C@H]([N@H+](Cc2cc(-c3nn[nH]n3)cs2)C2CC2)C1 ZINC000824104349 608737472 /nfs/dbraw/zinc/73/74/72/608737472.db2.gz PZDJCWMANRRAKM-AWEZNQCLSA-N 1 0 390.513 2.902 20 0 GFADRO O=C(COc1cccc(-c2nn[nH]n2)c1)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000826418608 608764835 /nfs/dbraw/zinc/76/48/35/608764835.db2.gz ODSRAFRUNUATHB-UHFFFAOYSA-N 1 0 392.463 2.523 20 0 GFADRO O=C(COc1ccc(-c2nn[nH]n2)cc1)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000826417292 608765111 /nfs/dbraw/zinc/76/51/11/608765111.db2.gz LQRVXGWCQKNALM-UHFFFAOYSA-N 1 0 392.463 2.523 20 0 GFADRO C[C@@H]([NH2+][C@H](C)c1ccc(-c2nn[nH]n2)c(F)c1)c1ccc2c(c1)CC(=O)N2C ZINC000824530936 609139153 /nfs/dbraw/zinc/13/91/53/609139153.db2.gz NHNAXFHEYCJOTF-VXGBXAGGSA-N 1 0 380.427 2.937 20 0 GFADRO C[C@H](Cc1ccc(F)cc1)[NH2+][C@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000824457369 609168772 /nfs/dbraw/zinc/16/87/72/609168772.db2.gz KNMUPYATYKYGND-KUHUBIRLSA-N 1 0 394.454 2.722 20 0 GFADRO C[C@@H]([NH2+][C@@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O)c1cc(F)cc(F)c1 ZINC000824547611 609168997 /nfs/dbraw/zinc/16/89/97/609168997.db2.gz QMAPQPGUHDLWBE-KZULUSFZSA-N 1 0 398.417 2.991 20 0 GFADRO C[C@@H](O)[C@@H]1CC[N@H+](Cc2cccc(OCc3cccc(-c4nn[nH]n4)c3)c2)C1 ZINC000824689061 609175627 /nfs/dbraw/zinc/17/56/27/609175627.db2.gz JWXUPLFHDZFEFD-DNVCBOLYSA-N 1 0 379.464 2.648 20 0 GFADRO C[C@H](O)[C@H]1CC[N@H+](Cc2cccc(OCc3ccccc3-c3nn[nH]n3)c2)C1 ZINC000824687947 609175798 /nfs/dbraw/zinc/17/57/98/609175798.db2.gz HOKPRQWHGNYMIG-RDJZCZTQSA-N 1 0 379.464 2.648 20 0 GFADRO CCC(CC)(CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)[NH2+][C@H](C)c1ccccc1 ZINC000825089413 609211205 /nfs/dbraw/zinc/21/12/05/609211205.db2.gz FIJZJJXZQYAIRX-CQSZACIVSA-N 1 0 381.484 2.834 20 0 GFADRO C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+]C1(c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000824385540 609250872 /nfs/dbraw/zinc/25/08/72/609250872.db2.gz WJBLRTAMJMZGKO-GFCCVEGCSA-N 1 0 397.870 2.911 20 0 GFADRO COc1cccc(NC(=O)C[C@@H](C)[NH2+]C2(c3cccc(-c4nn[nH]n4)c3)CC2)c1 ZINC000826217105 609251788 /nfs/dbraw/zinc/25/17/88/609251788.db2.gz YWMZRAYLOFRXMR-CQSZACIVSA-N 1 0 392.463 2.871 20 0 GFADRO COc1cccc([C@@H]2[C@@H](Nc3ccc(-c4nn[nH]n4)cn3)CC[N@@H+]2C2CC2)c1 ZINC000826215744 609322549 /nfs/dbraw/zinc/32/25/49/609322549.db2.gz XUDUMMKWNATZAH-PKOBYXMFSA-N 1 0 377.452 2.660 20 0 GFADRO COc1cccc(N2CC[C@H]([NH2+][C@@H](C)c3ccc(-c4nn[nH]n4)cc3F)C2)c1 ZINC000826216719 609333917 /nfs/dbraw/zinc/33/39/17/609333917.db2.gz KVBQWTIWCFPXNY-ZFWWWQNUSA-N 1 0 382.443 2.944 20 0 GFADRO COc1ccccc1C[NH2+]Cc1cn(C)nc1-c1ccc(-c2nn[nH]n2)cc1 ZINC000826219957 609335225 /nfs/dbraw/zinc/33/52/25/609335225.db2.gz XETQQUGHFBEURB-UHFFFAOYSA-N 1 0 375.436 2.566 20 0 GFADRO Cn1cc(C[NH2+]CC(C)(C)N2CCCCC2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826360908 609335950 /nfs/dbraw/zinc/33/59/50/609335950.db2.gz CLHCULOAHGAGGZ-UHFFFAOYSA-N 1 0 394.527 2.621 20 0 GFADRO Cc1nc(C)c(C[NH2+]Cc2cn(C)nc2-c2ccc(-c3nn[nH]n3)cc2)s1 ZINC000826324090 609340084 /nfs/dbraw/zinc/34/00/84/609340084.db2.gz DHAUMWYWTUTREY-UHFFFAOYSA-N 1 0 380.481 2.630 20 0 GFADRO CCOCCC1(C[NH2+]Cc2cn(C)nc2-c2ccc(-c3nn[nH]n3)cc2)CCC1 ZINC000825590283 609343158 /nfs/dbraw/zinc/34/31/58/609343158.db2.gz SFQPLIJYFYADFW-UHFFFAOYSA-N 1 0 395.511 2.954 20 0 GFADRO C[C@H](NC(=O)Nc1ccc(F)cc1-c1nn[nH]n1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000824506491 609352358 /nfs/dbraw/zinc/35/23/58/609352358.db2.gz OZTYSUDVKVTXMD-STQMWFEESA-N 1 0 387.463 2.780 20 0 GFADRO NC(=O)[C@@H](c1ccc(-c2nn[nH]n2)cc1)[N@@H+]1CCC[C@H](c2ccc(F)cc2)CC1 ZINC000826389051 609379886 /nfs/dbraw/zinc/37/98/86/609379886.db2.gz OYQKFNXPMBRVFW-IFXJQAMLSA-N 1 0 394.454 2.802 20 0 GFADRO C[C@H]([NH2+]C1CCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1)c1cncc(F)c1 ZINC000824548124 609406874 /nfs/dbraw/zinc/40/68/74/609406874.db2.gz VPUCTYIDXAVWIB-AWEZNQCLSA-N 1 0 381.459 2.716 20 0 GFADRO O=C1[C@@H]([NH2+]Cc2ccc(Cl)cc2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476260 609411155 /nfs/dbraw/zinc/41/11/55/609411155.db2.gz DMMCPHHFDPXNNF-KRWDZBQOSA-N 1 0 382.855 2.805 20 0 GFADRO C[C@@H](NC(=O)c1ccc(-c2nn[nH]n2)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000824513959 609456509 /nfs/dbraw/zinc/45/65/09/609456509.db2.gz KRXYAWNANULUHG-DNVCBOLYSA-N 1 0 376.464 2.507 20 0 GFADRO Cc1ccnc(NCC2([NH2+][C@H](C)c3ccccc3)CCOCC2)c1-c1nn[nH]n1 ZINC000826313807 609554652 /nfs/dbraw/zinc/55/46/52/609554652.db2.gz UNWXLDDCBQHTNA-MRXNPFEDSA-N 1 0 393.495 2.882 20 0 GFADRO O=C1[C@@H]([NH2+]Cc2cccc3cc[nH]c32)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476758 609600899 /nfs/dbraw/zinc/60/08/99/609600899.db2.gz OJFRJQCPWQQENG-SFHVURJKSA-N 1 0 387.447 2.633 20 0 GFADRO C[NH+](C)CCOCCNC(=O)Nc1nnc(-c2c(F)cccc2Cl)s1 ZINC000481922956 650656270 /nfs/dbraw/zinc/65/62/70/650656270.db2.gz ZDJOUOUXQPLYMT-UHFFFAOYSA-N 1 0 387.868 2.697 20 0 GFADRO Cc1ccc([C@@H](C)NC(=O)C(=O)N(CC[NH+](C)C)Cc2ccsc2)s1 ZINC000817808392 660209271 /nfs/dbraw/zinc/20/92/71/660209271.db2.gz SAQXJMKAJZIVHC-CQSZACIVSA-N 1 0 379.551 2.886 20 0 GFADRO O=C(NC[C@H](O)c1cc(Cl)cc(Cl)c1)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000817945326 660212194 /nfs/dbraw/zinc/21/21/94/660212194.db2.gz ZPYXZIDEBSOTDD-HOTGVXAUSA-N 1 0 383.279 2.578 20 0 GFADRO C[C@@H](Nc1ccc(N2CC[NH2+]CC2)cn1)c1cc(Br)ncc1F ZINC000817951069 660212489 /nfs/dbraw/zinc/21/24/89/660212489.db2.gz AWVSWVDOXBAVAB-LLVKDONJSA-N 1 0 380.265 2.961 20 0 GFADRO [NH3+]C[C@H](NC(=O)CN1C(=S)N=NC1c1ccc(Cl)cc1)C1CCCC1 ZINC000818000838 660213150 /nfs/dbraw/zinc/21/31/50/660213150.db2.gz FGSWRMAIBWZDHS-AWEZNQCLSA-N 1 0 379.917 2.521 20 0 GFADRO [NH3+][C@@H]1CCCO[C@H]1C1CCN(C(=O)[C@@H](O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000818011414 660213352 /nfs/dbraw/zinc/21/33/52/660213352.db2.gz ZPWCBYIMRDKKNL-IKGGRYGDSA-N 1 0 387.307 2.772 20 0 GFADRO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000818022290 660214217 /nfs/dbraw/zinc/21/42/17/660214217.db2.gz UKMJGCGMUZWPAN-UHFFFAOYSA-N 1 0 391.265 2.832 20 0 GFADRO CCC(CC)(C[NH3+])NC(=O)c1ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c1 ZINC000818554297 660228581 /nfs/dbraw/zinc/22/85/81/660228581.db2.gz DSOPYGFWLWLMNC-UHFFFAOYSA-N 1 0 389.949 2.664 20 0 GFADRO [NH3+][C@@H]1CCCC[C@H]1NC(=O)Nc1cnc(Br)c(Br)c1 ZINC000818633578 660230565 /nfs/dbraw/zinc/23/05/65/660230565.db2.gz UEEUZFRHXKDKKL-NXEZZACHSA-N 1 0 392.095 2.998 20 0 GFADRO CN(Cc1ccccc1)C(=O)C[NH2+]C[C@@H](O)c1ccccc1Br ZINC000818965108 660238782 /nfs/dbraw/zinc/23/87/82/660238782.db2.gz DJRULSMCZZFPEL-QGZVFWFLSA-N 1 0 377.282 2.731 20 0 GFADRO Cc1cc(F)ccc1[C@H](O)C[NH2+]CCNC(=O)c1ccc(Br)cc1 ZINC000818973316 660239792 /nfs/dbraw/zinc/23/97/92/660239792.db2.gz VBQHWGHKVACHHC-QGZVFWFLSA-N 1 0 395.272 2.950 20 0 GFADRO COCCOc1ncccc1C[NH2+]C[C@H](O)c1ccccc1Br ZINC000818974556 660239804 /nfs/dbraw/zinc/23/98/04/660239804.db2.gz APHGVZJFGIRVIR-INIZCTEOSA-N 1 0 381.270 2.693 20 0 GFADRO O=S(=O)(CC[NH2+]C[C@H](O)c1ccc(Br)cc1)c1ccccc1 ZINC000818977440 660241030 /nfs/dbraw/zinc/24/10/30/660241030.db2.gz WLOYEVXLQJJCSB-INIZCTEOSA-N 1 0 384.295 2.546 20 0 GFADRO CC(C)(C)C(=O)NCC[NH2+]C[C@@](C)(O)c1ccc(Br)cc1F ZINC000818988561 660241915 /nfs/dbraw/zinc/24/19/15/660241915.db2.gz BRRQGFCACYWNKU-MRXNPFEDSA-N 1 0 375.282 2.548 20 0 GFADRO O=C(NCCC[NH2+]C[C@H](O)c1ccccc1)c1cccc(Br)c1 ZINC000818993203 660242425 /nfs/dbraw/zinc/24/24/25/660242425.db2.gz YNXXJIPBOJAGNO-KRWDZBQOSA-N 1 0 377.282 2.892 20 0 GFADRO CN1CCC[C@H](C[NH2+]CCS(C)(=O)=O)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000819082909 660245847 /nfs/dbraw/zinc/24/58/47/660245847.db2.gz XOUVGBUYGQPWKW-ZBFHGGJFSA-N 1 0 378.460 2.723 20 0 GFADRO CS(=O)(=O)c1ccc([C@@H](O)C[NH2+]Cc2cc(Cl)cc3c2OCC3)cc1 ZINC000819228015 660250989 /nfs/dbraw/zinc/25/09/89/660250989.db2.gz GOMGEXDEBSMIAP-KRWDZBQOSA-N 1 0 381.881 2.502 20 0 GFADRO Cn1cc(N2CCC[C@@H]([NH2+]C[C@@H](O)c3ccc(F)c(Br)c3)C2)cn1 ZINC000819105441 660246764 /nfs/dbraw/zinc/24/67/64/660246764.db2.gz MAJYZTDZZQFTOG-CXAGYDPISA-N 1 0 397.292 2.614 20 0 GFADRO C[C@H](C[NH2+]C[C@@H](O)c1ccc(S(C)(=O)=O)cc1)Oc1cccc(Cl)c1 ZINC000819112336 660246961 /nfs/dbraw/zinc/24/69/61/660246961.db2.gz DLECHAXPZIRIQL-FZKQIMNGSA-N 1 0 383.897 2.834 20 0 GFADRO C[C@@H](C[NH2+]C[C@@H](O)c1ccc(S(C)(=O)=O)cc1)Oc1ccc(Cl)cc1 ZINC000819122366 660247178 /nfs/dbraw/zinc/24/71/78/660247178.db2.gz OPFRZLGSAWAGBD-SCLBCKFNSA-N 1 0 383.897 2.834 20 0 GFADRO CC1(O)CCC([NH2+]C[C@@H](O)COc2cc(F)cc(Br)c2)CC1 ZINC000819132730 660247587 /nfs/dbraw/zinc/24/75/87/660247587.db2.gz HUOVPAJEVQOOOW-NPCAHTBFSA-N 1 0 376.266 2.611 20 0 GFADRO CC1(O)CCC([NH2+]C[C@H](O)COc2cc(F)cc(Br)c2)CC1 ZINC000819132728 660247614 /nfs/dbraw/zinc/24/76/14/660247614.db2.gz HUOVPAJEVQOOOW-BBBYJDLNSA-N 1 0 376.266 2.611 20 0 GFADRO C[C@H](C[NH2+]CCN(C(=O)OC(C)(C)C)C1CCCCCC1)S(C)(=O)=O ZINC000819154216 660248130 /nfs/dbraw/zinc/24/81/30/660248130.db2.gz FMIIWIUVPRGXGU-OAHLLOKOSA-N 1 0 376.563 2.969 20 0 GFADRO O=C1[C@@H]([NH2+]C[C@@H](O)c2ccc(Br)cc2)CCCN1CC(F)(F)F ZINC000819181752 660249136 /nfs/dbraw/zinc/24/91/36/660249136.db2.gz APEMVANQSDSSAD-QWHCGFSZSA-N 1 0 395.219 2.625 20 0 GFADRO CC(=O)N1CCC[C@@H](C[NH2+]C[C@@](C)(O)c2ccc(Br)cc2F)C1 ZINC000819276310 660253335 /nfs/dbraw/zinc/25/33/35/660253335.db2.gz HVDHSNPBXBZFBV-SUMWQHHRSA-N 1 0 387.293 2.644 20 0 GFADRO CCN1CC[C@@H]([NH2+]C[C@](C)(O)c2ccc(Br)cc2Cl)C1=O ZINC000819299602 660254220 /nfs/dbraw/zinc/25/42/20/660254220.db2.gz XUUDTBRAEXVJGF-HIFRSBDPSA-N 1 0 375.694 2.520 20 0 GFADRO Cc1ccccc1[C@@H](O)C[NH2+]CCNS(=O)(=O)c1ccc(Cl)cc1C ZINC000819307870 660254474 /nfs/dbraw/zinc/25/44/74/660254474.db2.gz AHGZXURJRPJNLO-KRWDZBQOSA-N 1 0 382.913 2.558 20 0 GFADRO O[C@H](C[NH2+]CCn1cc(Br)cn1)c1ccc(OC(F)(F)F)cc1 ZINC000819308198 660254503 /nfs/dbraw/zinc/25/45/03/660254503.db2.gz OEAKMSAPYZFYQX-CYBMUJFWSA-N 1 0 394.191 2.867 20 0 GFADRO COc1ccc(C[NH2+]C[C@@](C)(O)c2ccc(Br)cc2F)c(OC)n1 ZINC000819323686 660254896 /nfs/dbraw/zinc/25/48/96/660254896.db2.gz OWOZGYOHHXVYNT-QGZVFWFLSA-N 1 0 399.260 2.998 20 0 GFADRO CN(C[C@H](O)C[NH2+]CCOc1ccc(F)c(Cl)c1)C(=O)OC(C)(C)C ZINC000819340656 660255753 /nfs/dbraw/zinc/25/57/53/660255753.db2.gz DSXRQIDMKQFXTD-GFCCVEGCSA-N 1 0 376.856 2.675 20 0 GFADRO C[C@]1(CC[NH2+]C[C@@H](O)COc2ccc3c(c2)CCC(=O)N3)CC1(Cl)Cl ZINC000819349571 660256163 /nfs/dbraw/zinc/25/61/63/660256163.db2.gz LDCVGDMBNDCNEH-DYVFJYSZSA-N 1 0 387.307 2.875 20 0 GFADRO C[N@H+](CCCNC(=O)c1cc(S(C)(=O)=O)ncc1Cl)C1CCCCC1 ZINC000820890135 660309450 /nfs/dbraw/zinc/30/94/50/660309450.db2.gz XPLLTESABJKZNV-UHFFFAOYSA-N 1 0 387.933 2.523 20 0 GFADRO CCn1ncc(C(=O)N2C[C@H](C[NH+](C)C)Oc3ccccc32)c1Br ZINC000820896467 660309656 /nfs/dbraw/zinc/30/96/56/660309656.db2.gz PLEGNBWAEUMVEO-LBPRGKRZSA-N 1 0 393.285 2.635 20 0 GFADRO C[N@@H+]1CC[C@@H](NC(=O)c2cc(N)nc(Br)c2)[C@H]1c1ccccc1 ZINC000821365658 660323215 /nfs/dbraw/zinc/32/32/15/660323215.db2.gz NHXYZKUOYHPNKK-CZUORRHYSA-N 1 0 375.270 2.602 20 0 GFADRO CN(CCc1cccs1)CC(=O)Nc1cc(Cl)ccc1-c1nn[nH]n1 ZINC000821607398 660329947 /nfs/dbraw/zinc/32/99/47/660329947.db2.gz MTXRICFKIUAEQC-UHFFFAOYSA-N 1 0 376.873 2.695 20 0 GFADRO CC[NH+]1CCC(NC(=O)c2cncc(Br)c2)(C(F)(F)F)CC1 ZINC000821652853 660331051 /nfs/dbraw/zinc/33/10/51/660331051.db2.gz BTOVYKFARLKVSD-UHFFFAOYSA-N 1 0 380.208 2.991 20 0 GFADRO Cc1ccccc1C[N@@H+]1CCCN(C(=O)c2cc(Br)n[nH]2)CC1 ZINC000821822046 660334746 /nfs/dbraw/zinc/33/47/46/660334746.db2.gz HIIMXUSLRKCLBN-UHFFFAOYSA-N 1 0 377.286 2.829 20 0 GFADRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)c2cc3cc(Br)cnc3n2C)C1 ZINC000822152343 660340926 /nfs/dbraw/zinc/34/09/26/660340926.db2.gz QUWSHBVJVFEJKI-AWEZNQCLSA-N 1 0 379.302 2.891 20 0 GFADRO C[C@@H](CNC(=O)c1csc(I)n1)[N@@H+]1CCC[C@@H](C)C1 ZINC000822059527 660339787 /nfs/dbraw/zinc/33/97/87/660339787.db2.gz SZUNJFOKVFRCJH-ZJUUUORDSA-N 1 0 393.294 2.598 20 0 GFADRO C[C@H]1CCCC[N@@H+]1CCNC(=O)[C@@]1(C)CC1(Br)Br ZINC000822100281 660340419 /nfs/dbraw/zinc/34/04/19/660340419.db2.gz CFXYCUCTTBPQEA-CMPLNLGQSA-N 1 0 382.140 2.873 20 0 GFADRO Cc1cc(NC(=O)c2cc(=O)n(C)cc2Br)ccc1C[NH+](C)C ZINC000822484692 660346442 /nfs/dbraw/zinc/34/64/42/660346442.db2.gz XTCLXECHALUVEG-UHFFFAOYSA-N 1 0 378.270 2.770 20 0 GFADRO Cc1ccc(-c2noc(-c3cn([C@@H]4CCC[NH2+]C4)nn3)n2)c(Br)c1 ZINC000822808375 660355016 /nfs/dbraw/zinc/35/50/16/660355016.db2.gz SHAVGMNLBYCENZ-LLVKDONJSA-N 1 0 389.257 2.991 20 0 GFADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)/C=C/[C@H]1CCOC1 ZINC000822840620 660355725 /nfs/dbraw/zinc/35/57/25/660355725.db2.gz LSQQNOCKUOUDNW-WHWKNOJMSA-N 1 0 381.314 2.932 20 0 GFADRO COc1cc(Br)c(Cc2noc([C@@H]3CCC[NH2+]C3)n2)cc1OC ZINC000822909970 660357676 /nfs/dbraw/zinc/35/76/76/660357676.db2.gz HAHZJQIOCJEFQT-SNVBAGLBSA-N 1 0 382.258 2.907 20 0 GFADRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)C[C@]2(C)CC2(Cl)Cl)CC1 ZINC000822912737 660357920 /nfs/dbraw/zinc/35/79/20/660357920.db2.gz JDIMZSSZCVVYKO-BFYDXBDKSA-N 1 0 376.372 2.977 20 0 GFADRO [NH3+]Cc1cc(-c2nc(Cc3cc(Br)c4c(c3)OCCO4)no2)co1 ZINC000822947047 660358728 /nfs/dbraw/zinc/35/87/28/660358728.db2.gz NDMDEYHJGKYKCI-UHFFFAOYSA-N 1 0 392.209 2.913 20 0 GFADRO Fc1cccc(Cc2noc([C@H]3C[C@]34CC[NH2+]C4)n2)c1I ZINC000822981008 660359336 /nfs/dbraw/zinc/35/93/36/660359336.db2.gz SYDFBWHETLHYBS-BMIGLBTASA-N 1 0 399.207 2.871 20 0 GFADRO CC(C)(c1noc(-c2cn(CCC[NH3+])nn2)n1)c1ccccc1Br ZINC000823233919 660365731 /nfs/dbraw/zinc/36/57/31/660365731.db2.gz DRYTYONXPQNCHV-UHFFFAOYSA-N 1 0 391.273 2.765 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)NCC1SCCS1 ZINC000823407331 660371314 /nfs/dbraw/zinc/37/13/14/660371314.db2.gz PZLDJZLUUMUWGR-INIZCTEOSA-N 1 0 380.583 2.884 20 0 GFADRO CC[NH+]1CCC(CNC(=O)[C@@]2(C)CC2(Br)Br)CC1 ZINC000823439597 660372326 /nfs/dbraw/zinc/37/23/26/660372326.db2.gz QYRVOCVRIHWBDP-GFCCVEGCSA-N 1 0 382.140 2.731 20 0 GFADRO CN(C[C@H](O)c1cccc(Br)c1)C(=O)C12CCC[NH+](CCC1)C2 ZINC000823577110 660375327 /nfs/dbraw/zinc/37/53/27/660375327.db2.gz STLYMSPWLBZEEU-INIZCTEOSA-N 1 0 381.314 2.817 20 0 GFADRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)c2cc(Br)cnc2Br)C1 ZINC000824270597 660388756 /nfs/dbraw/zinc/38/87/56/660388756.db2.gz NCTRJWMNRDGWFW-WAAGHKOSSA-N 1 0 391.107 2.677 20 0 GFADRO COCC(C)(C)[NH+]1CCN(C(=O)Nc2ccc(C)c(Br)n2)CC1 ZINC000824332014 660389891 /nfs/dbraw/zinc/38/98/91/660389891.db2.gz UBIXRVLJSRIQOL-UHFFFAOYSA-N 1 0 385.306 2.727 20 0 GFADRO CC[S@@](=O)CCNC(=O)Nc1nc2ccc(C[N@H+](C)C3CC3)cc2s1 ZINC000824741946 660400618 /nfs/dbraw/zinc/40/06/18/660400618.db2.gz XYBBFGWOFPXQIL-RUZDIDTESA-N 1 0 380.539 2.781 20 0 GFADRO CCOC(=O)C1CCN(C(=O)C[C@@H](C)[NH2+]C[C@@]2(C)CC2(Cl)Cl)CC1 ZINC000824773423 660401627 /nfs/dbraw/zinc/40/16/27/660401627.db2.gz KVDDFTGYZQNDEI-MLGOLLRUSA-N 1 0 379.328 2.740 20 0 GFADRO C[C@@H]1CCC[N@H+](CCCCNC(=O)c2c(Br)nc3n2CCC3)C1 ZINC000825110793 660411198 /nfs/dbraw/zinc/41/11/98/660411198.db2.gz IYEXUQFKMULNHL-CYBMUJFWSA-N 1 0 383.334 2.834 20 0 GFADRO C[N@@H+]1CC[C@@H](CC(=O)Nc2ccc(N3CC[C@H](CO)C3)c(Br)c2)C1 ZINC000825298634 660419319 /nfs/dbraw/zinc/41/93/19/660419319.db2.gz WTEFENMYODMRGT-KBPBESRZSA-N 1 0 396.329 2.548 20 0 GFADRO Cn1nc(C(=O)N2CCC[N@H+](CC3CCCCC3)CC2)cc1Br ZINC000825389030 660424564 /nfs/dbraw/zinc/42/45/64/660424564.db2.gz HJPDSJZZVOQMLV-UHFFFAOYSA-N 1 0 383.334 2.911 20 0 GFADRO O=C(c1c(Br)nc2n1CCC2)N1CCC([NH+]2CCCCC2)CC1 ZINC000825406199 660425845 /nfs/dbraw/zinc/42/58/45/660425845.db2.gz XDUDBSGBFDFRNI-UHFFFAOYSA-N 1 0 381.318 2.682 20 0 GFADRO C[C@@H]1CCC[C@H](CC[NH+](C)C)N1C(=O)c1cc(Br)cn2ncnc12 ZINC000825586842 660434160 /nfs/dbraw/zinc/43/41/60/660434160.db2.gz LKKHSXDUIKFZNC-TZMCWYRMSA-N 1 0 394.317 2.827 20 0 GFADRO C[C@@H](CC(=O)NC[C@H]1c2ccccc2CN1C)n1cc(Br)cn1 ZINC000826690854 660461336 /nfs/dbraw/zinc/46/13/36/660461336.db2.gz VOJBNDJSGMAAHZ-LRDDRELGSA-N 1 0 377.286 2.900 20 0 GFADRO C[NH+](C)CCC[C@H]1CN(C(=O)c2cc(Br)cnc2C2CC2)CCO1 ZINC000826693731 660461648 /nfs/dbraw/zinc/46/16/48/660461648.db2.gz CKZQAXLCUXBUBU-HNNXBMFYSA-N 1 0 396.329 2.904 20 0 GFADRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)[C@@H](O)c2ccc(Cl)c(Cl)c2)C1 ZINC000826763983 660463915 /nfs/dbraw/zinc/46/39/15/660463915.db2.gz KYDWUNIUBODGBG-PBHICJAKSA-N 1 0 389.323 2.986 20 0 GFADRO CC(C)OCC[C@@H](O)C[N@@H+]1CC[C@@]2(C)[C@@H](C1)C2(Br)Br ZINC000852337354 661861405 /nfs/dbraw/zinc/86/14/05/661861405.db2.gz PTPUUCZGRLSDDR-UPJWGTAASA-N 1 0 399.167 2.990 20 0 GFADRO C[N@@H+]1CC[C@H]2CN(C(=O)c3ccc(F)cc3I)CC[C@H]21 ZINC000827337648 660489629 /nfs/dbraw/zinc/48/96/29/660489629.db2.gz MEUJVDMIMOSEPV-IINYFYTJSA-N 1 0 388.224 2.597 20 0 GFADRO Cc1cccc(C(=O)N2CC[C@@H]3[C@H](CC[N@H+]3C)C2)c1I ZINC000827339559 660489985 /nfs/dbraw/zinc/48/99/85/660489985.db2.gz UEUXJWCDDJLIJO-TZMCWYRMSA-N 1 0 384.261 2.766 20 0 GFADRO O=C(NCc1ccc(OCC[NH+]2CCCC2)cc1)c1cc(Br)n[nH]1 ZINC000827252100 660486271 /nfs/dbraw/zinc/48/62/71/660486271.db2.gz WYKQJHHRJYJOAH-UHFFFAOYSA-N 1 0 393.285 2.577 20 0 GFADRO C[N@@H+]1CC[C@H]2CN(C(=O)c3ccn(-c4ccc(Br)cc4)n3)CC[C@H]21 ZINC000827256390 660486580 /nfs/dbraw/zinc/48/65/80/660486580.db2.gz WFAYVXMETBETHA-SUMWQHHRSA-N 1 0 389.297 2.801 20 0 GFADRO C[N@@H+]1CC[C@H]2CN(C(=O)c3cnc4ncc(Br)cc4c3)CC[C@@H]21 ZINC000827277405 660487530 /nfs/dbraw/zinc/48/75/30/660487530.db2.gz KSWFRAKGKUNCOJ-NHYWBVRUSA-N 1 0 375.270 2.559 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3cnc4ncc(Br)cc4c3)CC[C@H]21 ZINC000827277404 660487590 /nfs/dbraw/zinc/48/75/90/660487590.db2.gz KSWFRAKGKUNCOJ-IAQYHMDHSA-N 1 0 375.270 2.559 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(F)c(I)c3)CC[C@@H]21 ZINC000827302672 660488484 /nfs/dbraw/zinc/48/84/84/660488484.db2.gz WVKWZQITIAORAH-RISCZKNCSA-N 1 0 388.224 2.597 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3cnn(-c4cccc(Br)c4)c3)CC[C@H]21 ZINC000827318672 660488795 /nfs/dbraw/zinc/48/87/95/660488795.db2.gz IBHVYINGAJWGJD-CXAGYDPISA-N 1 0 389.297 2.801 20 0 GFADRO C[C@H](C(=O)N1CCC([NH+]2CCN(C)CC2)CC1)c1cccc(Br)c1 ZINC000827435776 660495282 /nfs/dbraw/zinc/49/52/82/660495282.db2.gz WHMRZRZEJNLHIB-HNNXBMFYSA-N 1 0 394.357 2.791 20 0 GFADRO Cc1ccc(C(=O)N2CCC([NH+]3CCN(C)CC3)CC2)c(Br)c1 ZINC000827450366 660496409 /nfs/dbraw/zinc/49/64/09/660496409.db2.gz SKMZJFAXTHHFGK-UHFFFAOYSA-N 1 0 380.330 2.610 20 0 GFADRO C[C@]1(CN2CCCN(S(=O)(=O)c3ccccc3)CC2)CC1(Cl)Cl ZINC000827486391 660498992 /nfs/dbraw/zinc/49/89/92/660498992.db2.gz HUJAZHSHDNJLFX-OAHLLOKOSA-N 1 0 377.337 2.967 20 0 GFADRO CCN(C(=O)c1ccnc(Cl)c1I)[C@@H]1CC[N@H+](C)C1 ZINC000855361935 661987907 /nfs/dbraw/zinc/98/79/07/661987907.db2.gz WYQFRMSVCZIXAD-SECBINFHSA-N 1 0 393.656 2.506 20 0 GFADRO Cc1nc(SCC(C)C)sc1CC(=O)NCC1([NH+](C)C)CCOCC1 ZINC000827762573 660513554 /nfs/dbraw/zinc/51/35/54/660513554.db2.gz NVJGENCBGAMOKG-UHFFFAOYSA-N 1 0 385.599 2.969 20 0 GFADRO C[C@@H](NC(=O)c1cc(Br)n(C)n1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000828016470 660526442 /nfs/dbraw/zinc/52/64/42/660526442.db2.gz XPBBTYYCRBTBQY-UKRRQHHQSA-N 1 0 391.313 2.823 20 0 GFADRO CCN(CCC[NH2+]Cc1cc(C)c(F)cc1Br)S(C)(=O)=O ZINC000858104672 662098825 /nfs/dbraw/zinc/09/88/25/662098825.db2.gz SVHBGBHTKODTNE-UHFFFAOYSA-N 1 0 381.311 2.658 20 0 GFADRO CC(C)c1nccn1CCNC(=O)[C@](C)([NH3+])c1ccc(Br)cc1 ZINC000828965457 660577114 /nfs/dbraw/zinc/57/71/14/660577114.db2.gz LQPHVZYBAHEWII-QGZVFWFLSA-N 1 0 379.302 2.759 20 0 GFADRO CC[NH+]1CCN(c2ccc(C(=O)Nc3cn(C)nc3Br)cc2)CC1 ZINC000829110726 660581203 /nfs/dbraw/zinc/58/12/03/660581203.db2.gz CGAQPFUQHYINKI-UHFFFAOYSA-N 1 0 392.301 2.577 20 0 GFADRO CN(CC[NH+]1CC2(C1)CCOCC2)C(=O)CCc1ccccc1Br ZINC000829280869 660587409 /nfs/dbraw/zinc/58/74/09/660587409.db2.gz SDVAHXINDHJYIF-UHFFFAOYSA-N 1 0 395.341 2.953 20 0 GFADRO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)c1cc2ccc(Br)cc2c(=O)o1 ZINC000829563725 660600614 /nfs/dbraw/zinc/60/06/14/660600614.db2.gz LMENWWGRZWWAFJ-UONOGXRCSA-N 1 0 391.265 2.864 20 0 GFADRO C[NH2+]CCOCCNC(=O)Nc1cc(C)n(-c2ccc(Cl)cc2Cl)n1 ZINC000625876141 652374282 /nfs/dbraw/zinc/37/42/82/652374282.db2.gz YIFIWPJPTYKMFZ-UHFFFAOYSA-N 1 0 386.283 2.845 20 0 GFADRO C[NH+](C)CCc1ccc(CNC(=O)c2c(Br)nc3n2CCC3)cc1 ZINC000829999109 660629090 /nfs/dbraw/zinc/62/90/90/660629090.db2.gz UQAGYSUCIVVJMJ-UHFFFAOYSA-N 1 0 391.313 2.626 20 0 GFADRO CN(C)C(=O)O[C@@H]1CC[N@H+](CCC(=O)Nc2cccc(Br)c2)C1 ZINC000830509170 660660057 /nfs/dbraw/zinc/66/00/57/660660057.db2.gz CZXWDQASDJOUEZ-CQSZACIVSA-N 1 0 384.274 2.550 20 0 GFADRO CN(C)C(=O)O[C@H]1CCC[N@H+](C[C@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000830568390 660664879 /nfs/dbraw/zinc/66/48/79/660664879.db2.gz HTYHLCQWWJEGHA-KBPBESRZSA-N 1 0 391.295 2.896 20 0 GFADRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2cnn(C(C)(C)C)c2Br)C1 ZINC000830577155 660665120 /nfs/dbraw/zinc/66/51/20/660665120.db2.gz PLMBQDHDHCCFGF-OCCSQVGLSA-N 1 0 383.334 2.957 20 0 GFADRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)c2cc(Br)n[nH]2)CC1 ZINC000830862826 660683721 /nfs/dbraw/zinc/68/37/21/660683721.db2.gz FRAAYSUTGWBOEC-LLVKDONJSA-N 1 0 378.274 2.523 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)NCCCCCC[NH3+] ZINC000831123576 660697236 /nfs/dbraw/zinc/69/72/36/660697236.db2.gz XIGCQGCETSKWHS-UHFFFAOYSA-N 1 0 399.333 2.904 20 0 GFADRO CC(C)C[C@@H]1OCCC[C@@H]1[NH2+]Cc1c(I)cnn1C ZINC000894491770 663464862 /nfs/dbraw/zinc/46/48/62/663464862.db2.gz SYHCOKWFXBSTBR-JSGCOSHPSA-N 1 0 377.270 2.708 20 0 GFADRO [NH3+]CCCCCC(=O)N1CCN(Cc2cc(Br)ccc2F)CC1 ZINC000832183056 660761221 /nfs/dbraw/zinc/76/12/21/660761221.db2.gz PZGQYXKIBCNURM-UHFFFAOYSA-N 1 0 386.309 2.752 20 0 GFADRO CN(C(=O)c1cnn(-c2ncccc2Cl)c1C(F)(F)Cl)[C@@H]1CC[NH2+]C1 ZINC000832659159 660792054 /nfs/dbraw/zinc/79/20/54/660792054.db2.gz OXUXZLWAPOWAED-SECBINFHSA-N 1 0 390.221 2.643 20 0 GFADRO CC[NH+]1CCN(CC(C)(C)NS(=O)(=O)/C=C\c2cccc(Cl)c2)CC1 ZINC000832679294 660794707 /nfs/dbraw/zinc/79/47/07/660794707.db2.gz DHQAXOKOWHEJGH-JYRVWZFOSA-N 1 0 385.961 2.646 20 0 GFADRO O=C(N[C@H]1CCC[N@@H+](CCCO)C1)C(F)(F)c1ccccc1Br ZINC000833574982 660808678 /nfs/dbraw/zinc/80/86/78/660808678.db2.gz OGUHCFXNNKHTGX-LBPRGKRZSA-N 1 0 391.256 2.504 20 0 GFADRO CCCS(=O)(=O)N1CCC([NH2+][C@H](C)c2nc(Br)cs2)CC1 ZINC000834507911 660822710 /nfs/dbraw/zinc/82/27/10/660822710.db2.gz GGIUSUSPEFLABJ-SNVBAGLBSA-N 1 0 396.376 2.760 20 0 GFADRO C[C@H]([NH2+][C@H]1CCN(c2ccccc2C(N)=O)C1)c1nc(Br)cs1 ZINC000834578071 660825425 /nfs/dbraw/zinc/82/54/25/660825425.db2.gz BIFIMDLJHOCEDF-QWRGUYRKSA-N 1 0 395.326 2.934 20 0 GFADRO O=S(=O)(CC[NH2+][C@H]1CCc2ccc(Br)cc21)C1CCOCC1 ZINC000834891662 660837290 /nfs/dbraw/zinc/83/72/90/660837290.db2.gz SEBRSSYVJQUHGP-INIZCTEOSA-N 1 0 388.327 2.620 20 0 GFADRO Clc1cc(I)cc(C[NH2+][C@@H]2CCO[C@@]23CCOC3)c1 ZINC000903192904 663777738 /nfs/dbraw/zinc/77/77/38/663777738.db2.gz RIEOUPBFVRVMKR-ZIAGYGMSSA-N 1 0 393.652 2.982 20 0 GFADRO COC(=O)c1ccc(CNC(=O)N[C@H](C)CCCC[NH3+])c(Br)c1 ZINC000841996790 661319244 /nfs/dbraw/zinc/31/92/44/661319244.db2.gz UOWNLQAOMGWMLR-LLVKDONJSA-N 1 0 386.290 2.552 20 0 GFADRO CCC[N@@H+]1CC[C@H](CNC(=O)NC[C@@H](O)c2ccccc2Br)C1 ZINC000836326880 660899921 /nfs/dbraw/zinc/89/99/21/660899921.db2.gz NEQQPYNUESKBMZ-CZUORRHYSA-N 1 0 384.318 2.514 20 0 GFADRO O=C(NC[C@@H](O)c1ccccc1Br)NC1CC([NH+]2CCCCC2)C1 ZINC000836439838 660905868 /nfs/dbraw/zinc/90/58/68/660905868.db2.gz ZWCVNNOOWKMJDN-MQBCKMQZSA-N 1 0 396.329 2.799 20 0 GFADRO C[C@]1(CCNC(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)CC1(Cl)Cl ZINC000836624645 660922631 /nfs/dbraw/zinc/92/26/31/660922631.db2.gz SCUONIUGOHBOEQ-HOCLYGCPSA-N 1 0 378.344 2.714 20 0 GFADRO C[C@H](C[NH+]1CCCCC1)NC(=O)CCNC(=O)c1ccc(Br)cc1 ZINC000024803588 654545222 /nfs/dbraw/zinc/54/52/22/654545222.db2.gz BPHKDQUNUWCBGD-CQSZACIVSA-N 1 0 396.329 2.560 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)CN1C(=O)CSc2ccccc21)c1ccsc1 ZINC000025330702 654548437 /nfs/dbraw/zinc/54/84/37/654548437.db2.gz OYAWPWMBABABHY-HNNXBMFYSA-N 1 0 375.519 2.606 20 0 GFADRO COc1ccc(Cl)cc1C[N@H+](C)CCC(=O)Nc1sccc1C(N)=O ZINC000027738439 654565444 /nfs/dbraw/zinc/56/54/44/654565444.db2.gz WYSJVOZWJSJCKU-UHFFFAOYSA-N 1 0 381.885 2.970 20 0 GFADRO Cn1cnc(S(=O)(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)c1Cl ZINC000027962614 654567799 /nfs/dbraw/zinc/56/77/99/654567799.db2.gz YQIYVXUHKAYRDI-UHFFFAOYSA-N 1 0 382.917 2.538 20 0 GFADRO CC[N@H+](CC(=O)N(C)CC(=O)Nc1ccc(Br)cc1C)C1CC1 ZINC000029913514 654580800 /nfs/dbraw/zinc/58/08/00/654580800.db2.gz MSZMLWQQHAPNAM-UHFFFAOYSA-N 1 0 382.302 2.639 20 0 GFADRO C[C@H](C[NH+]1CCCCC1)NC(=O)c1cn(-c2ccccc2Br)nn1 ZINC000032664456 654607290 /nfs/dbraw/zinc/60/72/90/654607290.db2.gz NEDCAINURROZOY-CYBMUJFWSA-N 1 0 392.301 2.634 20 0 GFADRO C[C@@H](CNC(=O)CN1C(=S)N=NC1c1cccs1)[N@@H+]1CCCC[C@H]1C ZINC000032729462 654608248 /nfs/dbraw/zinc/60/82/48/654608248.db2.gz LQKGXVDKTZRNLC-OLZOCXBDSA-N 1 0 379.555 2.674 20 0 GFADRO CCNC(=O)C[NH2+]Cc1cc(Br)c(OCC)c(Br)c1 ZINC000034992999 654610209 /nfs/dbraw/zinc/61/02/09/654610209.db2.gz KQXBPBHFUQTIMK-UHFFFAOYSA-N 1 0 394.107 2.836 20 0 GFADRO COc1c(Br)cc(C[NH2+][C@@H](C)C(=O)N(C)C)cc1Br ZINC000036325323 654612554 /nfs/dbraw/zinc/61/25/54/654612554.db2.gz WCENOUZCJNMFLI-QMMMGPOBSA-N 1 0 394.107 2.787 20 0 GFADRO CCCS(=O)(=O)N1CCC([NH2+]Cc2csc(Br)c2)CC1 ZINC000037148499 654614183 /nfs/dbraw/zinc/61/41/83/654614183.db2.gz SFPJJTJDAIPDQH-UHFFFAOYSA-N 1 0 381.361 2.804 20 0 GFADRO CCCN(C1CC[NH2+]CC1)S(=O)(=O)c1ccc(F)cc1Br ZINC000037574359 654615640 /nfs/dbraw/zinc/61/56/40/654615640.db2.gz OMSMZCJTYSGSLC-UHFFFAOYSA-N 1 0 379.295 2.741 20 0 GFADRO O=C(c1ccc(I)cc1)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000037917261 654616371 /nfs/dbraw/zinc/61/63/71/654616371.db2.gz UQPOIRYZNZVGMR-DZGCQCFKSA-N 1 0 384.261 2.895 20 0 GFADRO C[C@@H](CNC(=O)C(=O)Nc1ccccc1Br)[N@@H+]1CCCC[C@H]1C ZINC000041643995 654628572 /nfs/dbraw/zinc/62/85/72/654628572.db2.gz GAVHQIYUHXINCI-OLZOCXBDSA-N 1 0 382.302 2.767 20 0 GFADRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)C(=O)Nc2ccccc2Br)C1 ZINC000041728924 654630272 /nfs/dbraw/zinc/63/02/72/654630272.db2.gz OZCPJULSKWRDQL-KBPBESRZSA-N 1 0 396.329 2.872 20 0 GFADRO C[N@H+](CCCCNC(=O)c1cn(-c2ccccc2Br)nn1)C1CC1 ZINC000837224311 660979896 /nfs/dbraw/zinc/97/98/96/660979896.db2.gz AGNYDJGWQNGKDW-UHFFFAOYSA-N 1 0 392.301 2.634 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CNC(=S)NNC(=S)Nc1cccc(Cl)c1C ZINC000043570877 654649994 /nfs/dbraw/zinc/64/99/94/654649994.db2.gz LHPSJPATARMRTE-LBPRGKRZSA-N 1 0 385.990 2.798 20 0 GFADRO O=C(c1c(Br)nc2n1CCCC2)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000837377255 660990448 /nfs/dbraw/zinc/99/04/48/660990448.db2.gz QHNDLNGURZVBGT-CYBMUJFWSA-N 1 0 381.318 2.682 20 0 GFADRO CC(C)[C@H](CNC(=O)c1cc(F)cc(Br)c1)[NH+]1CCN(C)CC1 ZINC000046782668 654685566 /nfs/dbraw/zinc/68/55/66/654685566.db2.gz SVRHFRQNZFVOIQ-INIZCTEOSA-N 1 0 386.309 2.590 20 0 GFADRO C[C@H]1CCCC[N@@H+]1CCNC(=O)Cc1cc2c(cc1Br)OCCO2 ZINC000046861148 654686821 /nfs/dbraw/zinc/68/68/21/654686821.db2.gz OYSPHHZFOAZXFN-ZDUSSCGKSA-N 1 0 397.313 2.753 20 0 GFADRO COc1cc(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)cc(OC)c1Br ZINC000046996719 654688617 /nfs/dbraw/zinc/68/86/17/654688617.db2.gz LSTMWCUMXOCDMY-CHWSQXEVSA-N 1 0 383.286 2.823 20 0 GFADRO C[C@@H](CNC(=O)c1c(Br)nc2n1CCCC2)[N@@H+]1CCCC[C@H]1C ZINC000837346998 660987910 /nfs/dbraw/zinc/98/79/10/660987910.db2.gz UECQAXOXKAPAGP-OLZOCXBDSA-N 1 0 383.334 2.975 20 0 GFADRO O=C(NCCCN1CC[NH+](Cc2ccccc2)CC1)c1scnc1Cl ZINC000047306453 654692674 /nfs/dbraw/zinc/69/26/74/654692674.db2.gz XJCOSBYNWBDROI-UHFFFAOYSA-N 1 0 378.929 2.734 20 0 GFADRO O=C(CSC(F)(F)F)NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000048174651 654703205 /nfs/dbraw/zinc/70/32/05/654703205.db2.gz ZCUBLFMNXSLQHY-UHFFFAOYSA-N 1 0 375.460 2.564 20 0 GFADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CCc2ccccc2Br)C1 ZINC000048243599 654704230 /nfs/dbraw/zinc/70/42/30/654704230.db2.gz CXNGRAKNJIGKKM-INIZCTEOSA-N 1 0 383.330 2.855 20 0 GFADRO C[C@@H](C[NH+]1CCCCC1)NC(=O)N(C)C[C@H](O)c1ccccc1Br ZINC000837531569 661003827 /nfs/dbraw/zinc/00/38/27/661003827.db2.gz OPBXWBMURRWBGN-YOEHRIQHSA-N 1 0 398.345 2.998 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2c(Br)nc3n2CCCC3)[C@H](C)C1 ZINC000837435936 660996876 /nfs/dbraw/zinc/99/68/76/660996876.db2.gz YLYQXEPVXVSCDY-CHWSQXEVSA-N 1 0 383.334 2.784 20 0 GFADRO C[C@H](NC(=O)N[C@@H]1CCC[N@H+](C)C1)c1cc2c(cc1Br)OCCO2 ZINC000052554392 654736718 /nfs/dbraw/zinc/73/67/18/654736718.db2.gz UULVOIVUUCTXFT-NWDGAFQWSA-N 1 0 398.301 2.675 20 0 GFADRO [NH3+][C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2C(F)(F)F)C1 ZINC000122444144 654737314 /nfs/dbraw/zinc/73/73/14/654737314.db2.gz CREQUHDZOZIRIQ-SECBINFHSA-N 1 0 387.221 2.580 20 0 GFADRO C[NH2+]C[C@@H]1CCCN(S(=O)(=O)c2cc(C)c(Br)cc2C)C1 ZINC000122554670 654739260 /nfs/dbraw/zinc/73/92/60/654739260.db2.gz BEMXSALWNVNGQY-ZDUSSCGKSA-N 1 0 375.332 2.686 20 0 GFADRO CCOC(=O)N[C@@H]1CCC[N@H+](CCC(=O)Nc2ccccc2Br)C1 ZINC000052871043 654740941 /nfs/dbraw/zinc/74/09/41/654740941.db2.gz AIQDTJZPZGYWAL-CYBMUJFWSA-N 1 0 398.301 2.988 20 0 GFADRO CC[NH+](CC)[C@H](CNC(=O)[C@H]1CSCN1C(C)=O)c1ccccc1Cl ZINC000122665278 654741682 /nfs/dbraw/zinc/74/16/82/654741682.db2.gz HLGPIXXVOWVMJF-IAGOWNOFSA-N 1 0 383.945 2.761 20 0 GFADRO C[C@H](CS(=O)(=O)c1ccccc1)[NH2+][C@H]1CCN(c2ncccc2Cl)C1 ZINC000122694094 654742759 /nfs/dbraw/zinc/74/27/59/654742759.db2.gz IQEPUFGRORTDGB-CABCVRRESA-N 1 0 379.913 2.766 20 0 GFADRO O=C(c1cncc(I)c1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000122936566 654747534 /nfs/dbraw/zinc/74/75/34/654747534.db2.gz YSQXHNQWDMLZCE-HNNXBMFYSA-N 1 0 399.276 2.777 20 0 GFADRO COCC[NH+](CCOC)CCC(=O)Nc1ccc(Br)cc1F ZINC000054427562 654760413 /nfs/dbraw/zinc/76/04/13/654760413.db2.gz OHHIURACPLQRLD-UHFFFAOYSA-N 1 0 377.254 2.512 20 0 GFADRO C[C@H]1C[C@H](N(C)C(=O)CSc2nnc(-c3cccs3)n2C)CC[N@@H+]1C ZINC000123759842 654762702 /nfs/dbraw/zinc/76/27/02/654762702.db2.gz LICHLSHAGPYFOH-QWHCGFSZSA-N 1 0 379.555 2.577 20 0 GFADRO Cc1nn(C)c(Cl)c1S(=O)(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000055284577 654772706 /nfs/dbraw/zinc/77/27/06/654772706.db2.gz SMSUARNJRCHRPM-UHFFFAOYSA-N 1 0 388.965 2.659 20 0 GFADRO C[N@@H+]1CC[C@H]2[C@H](CCCN2Cn2nc(Br)c(=O)c3ccccc32)C1 ZINC000124336316 654774451 /nfs/dbraw/zinc/77/44/51/654774451.db2.gz WLABRAFIFFDADZ-HIFRSBDPSA-N 1 0 391.313 2.533 20 0 GFADRO C[C@@H](CNC(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1)C[NH+]1CCCC1 ZINC000124414753 654775923 /nfs/dbraw/zinc/77/59/23/654775923.db2.gz IDMZRLYPSAPFRO-LBPRGKRZSA-N 1 0 375.441 2.536 20 0 GFADRO C[C@@H](CNC(=O)Cc1cc2c(cc1Br)OCCO2)C[NH+]1CCCC1 ZINC000055539325 654776202 /nfs/dbraw/zinc/77/62/02/654776202.db2.gz UZWMTQWKEDIZTQ-ZDUSSCGKSA-N 1 0 397.313 2.611 20 0 GFADRO Cc1nn(C)c(Cl)c1S(=O)(=O)N(CCC[NH+](C)C)Cc1ccccc1 ZINC000055968751 654785546 /nfs/dbraw/zinc/78/55/46/654785546.db2.gz HSUKFCPCRKQGDF-UHFFFAOYSA-N 1 0 384.933 2.525 20 0 GFADRO C[C@H](CC[S@](C)=O)[NH2+]Cc1cc(Br)c2c(c1)OCCCO2 ZINC000125456461 654795178 /nfs/dbraw/zinc/79/51/78/654795178.db2.gz SFFBPZYNLWFZEV-WSVYEEACSA-N 1 0 376.316 2.857 20 0 GFADRO CNC(=O)c1cccc(C[N@H+](C)[C@@H](CO)c2cccc(Br)c2)c1 ZINC000125789723 654802170 /nfs/dbraw/zinc/80/21/70/654802170.db2.gz UPVCVSQQLQWWJM-KRWDZBQOSA-N 1 0 377.282 2.974 20 0 GFADRO CC[NH+]1CCN(CCCNC(=O)c2cc(Cl)cc(Br)c2)CC1 ZINC000125801195 654802256 /nfs/dbraw/zinc/80/22/56/654802256.db2.gz GVEGHAQLAZGNIS-UHFFFAOYSA-N 1 0 388.737 2.860 20 0 GFADRO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)N1CCN(Cc2ccc(Cl)s2)CC1 ZINC000126036397 654807422 /nfs/dbraw/zinc/80/74/22/654807422.db2.gz PQSFNNBNFSZBKW-OAHLLOKOSA-N 1 0 382.961 2.713 20 0 GFADRO CN(C)S(=O)(=O)CCC[N@@H+]1CCC[C@H]1c1ccccc1Br ZINC000126035091 654807442 /nfs/dbraw/zinc/80/74/42/654807442.db2.gz DWIXBMSKWXEYTD-HNNXBMFYSA-N 1 0 375.332 2.868 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)CNC(=O)c1cccc(Br)c1 ZINC000057997052 654813562 /nfs/dbraw/zinc/81/35/62/654813562.db2.gz DCSANRBRCQMMGN-CQSZACIVSA-N 1 0 396.329 2.560 20 0 GFADRO C[N@H+](CC1CCCC1)CN1C(=O)C(=O)N(c2ccc(Br)cc2)C1=O ZINC000058207418 654816696 /nfs/dbraw/zinc/81/66/96/654816696.db2.gz YRHKVFZKLCXDNL-UHFFFAOYSA-N 1 0 394.269 2.824 20 0 GFADRO O=S(=O)(c1cccc(OC(F)(F)F)c1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000060113284 654826562 /nfs/dbraw/zinc/82/65/62/654826562.db2.gz FRKDMCUZRDFXJB-ZDUSSCGKSA-N 1 0 378.416 2.834 20 0 GFADRO CCOc1cc(Br)c(CC(=O)NC2CC[NH+](C)CC2)cc1OCC ZINC000061497541 654839687 /nfs/dbraw/zinc/83/96/87/654839687.db2.gz NLLWCEMWRLYCOZ-UHFFFAOYSA-N 1 0 399.329 2.999 20 0 GFADRO C[NH+](C)CCn1cc(NC(=O)CCOc2cccc(Br)c2)cn1 ZINC000061647116 654841172 /nfs/dbraw/zinc/84/11/72/654841172.db2.gz JFXJRKZVHIVFHX-UHFFFAOYSA-N 1 0 381.274 2.615 20 0 GFADRO O=C(CCCOc1cccc(Br)c1)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000061650418 654841387 /nfs/dbraw/zinc/84/13/87/654841387.db2.gz QGMBYSLWTHZINT-DOTOQJQBSA-N 1 0 397.313 2.588 20 0 GFADRO O=C(COc1ccc(Br)cc1F)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000128258829 654843787 /nfs/dbraw/zinc/84/37/87/654843787.db2.gz OWETUDMFFKKQMG-CYBMUJFWSA-N 1 0 385.277 2.911 20 0 GFADRO O=C(NCCCC[NH+]1CCOCC1)c1[nH]c2ccccc2c1Br ZINC000062260982 654844434 /nfs/dbraw/zinc/84/44/34/654844434.db2.gz GNKHIWDRHAAZQU-UHFFFAOYSA-N 1 0 380.286 2.773 20 0 GFADRO O[C@H](C[NH2+]Cc1ccc(Br)cc1)COc1ccc2c(c1)OCO2 ZINC000063523816 654853878 /nfs/dbraw/zinc/85/38/78/654853878.db2.gz AUTSHPOTQYOSES-CQSZACIVSA-N 1 0 380.238 2.707 20 0 GFADRO C[C@H]([NH2+]Cc1nc(-c2cccc(Br)c2)c[nH]1)[C@H]1CN(C)CCO1 ZINC000129119520 654857291 /nfs/dbraw/zinc/85/72/91/654857291.db2.gz VMJMIVVZWXPUOS-BLLLJJGKSA-N 1 0 379.302 2.648 20 0 GFADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3ccccc3I)CC[C@@H]21 ZINC000129129252 654857566 /nfs/dbraw/zinc/85/75/66/654857566.db2.gz NFWUTWRGZACUEO-DOMZBBRYSA-N 1 0 384.261 2.848 20 0 GFADRO C[NH+](C)CCCNC(=S)NC[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000063794395 654858196 /nfs/dbraw/zinc/85/81/96/654858196.db2.gz BDFPUTMWRZVSNZ-CQSZACIVSA-N 1 0 399.402 2.691 20 0 GFADRO COCCn1cc(C[NH2+]Cc2cc(Br)c(OC)c(OC)c2)cn1 ZINC000266208381 654862953 /nfs/dbraw/zinc/86/29/53/654862953.db2.gz NMSDQJCIGZTFPU-UHFFFAOYSA-N 1 0 384.274 2.599 20 0 GFADRO O=C(NCc1ccsc1)C(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000064269507 654865154 /nfs/dbraw/zinc/86/51/54/654865154.db2.gz SOQHVLROBARCEW-UHFFFAOYSA-N 1 0 375.519 2.552 20 0 GFADRO C[C@@H]([NH2+]C1CCN(S(=O)(=O)C2CCOCC2)CC1)c1ccc(Cl)cc1 ZINC000129618931 654868548 /nfs/dbraw/zinc/86/85/48/654868548.db2.gz QEHTYKPKWICJEE-CQSZACIVSA-N 1 0 386.945 2.964 20 0 GFADRO C[C@H]([NH2+][C@@H](C)[C@@H]1CCOC1)C(=O)Nc1cccc(I)c1 ZINC000266281681 654868929 /nfs/dbraw/zinc/86/89/29/654868929.db2.gz GPIVTYNXUXRNHH-SDDRHHMPSA-N 1 0 388.249 2.633 20 0 GFADRO O=C(NC[C@H]1CCC[NH2+]C1)[C@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl ZINC000129760518 654872257 /nfs/dbraw/zinc/87/22/57/654872257.db2.gz VJBFOKBWGIVYDV-BLLLJJGKSA-N 1 0 384.307 2.714 20 0 GFADRO C[NH+](C)C[C@@H]1CCN(C(=O)N[C@H]2CCN(c3ccc(Br)cc3)C2)C1 ZINC000129880708 654876141 /nfs/dbraw/zinc/87/61/41/654876141.db2.gz VSOQDAOGUOQRGB-HOCLYGCPSA-N 1 0 395.345 2.621 20 0 GFADRO O=C(CSCc1ccc(Br)cc1F)NC[C@H]1CCC[NH2+]C1 ZINC000129896348 654876890 /nfs/dbraw/zinc/87/68/90/654876890.db2.gz INHWPPDAIHTVGD-NSHDSACASA-N 1 0 375.307 2.937 20 0 GFADRO C[N@@H+]1CCCN(CCNC(=S)NCCSc2ccc(Cl)cc2)CC1 ZINC000064894909 654877476 /nfs/dbraw/zinc/87/74/76/654877476.db2.gz QUEBMLQDIIONDM-UHFFFAOYSA-N 1 0 387.018 2.534 20 0 GFADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)Nc3ccc(Br)c(F)c3)C2)CC1 ZINC000266412211 654877702 /nfs/dbraw/zinc/87/77/02/654877702.db2.gz PCJODPSWIQZVPX-CQSZACIVSA-N 1 0 399.308 2.832 20 0 GFADRO CC(C)[C@@H]([NH3+])CNC(=O)c1c(Cl)ccc(I)c1F ZINC000911826465 664257450 /nfs/dbraw/zinc/25/74/50/664257450.db2.gz NTYDNXHMLVWTOB-VIFPVBQESA-N 1 0 384.620 2.797 20 0 GFADRO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NCc1csc(Br)c1 ZINC000266478863 654880956 /nfs/dbraw/zinc/88/09/56/654880956.db2.gz BZZBAUBQYHNYIC-CQSZACIVSA-N 1 0 375.332 2.920 20 0 GFADRO CN(Cc1ccccc1Br)C(=O)C[N@@H+]1CCC2(C1)CCOCC2 ZINC000266564417 654885457 /nfs/dbraw/zinc/88/54/57/654885457.db2.gz NTXLFRTXSHMQJA-UHFFFAOYSA-N 1 0 381.314 2.910 20 0 GFADRO O=C(c1cncc(Br)c1)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000266650089 654888427 /nfs/dbraw/zinc/88/84/27/654888427.db2.gz NMQRREPWTFAGOB-UHFFFAOYSA-N 1 0 382.302 2.561 20 0 GFADRO O=C1OCCN1CCC[NH2+]C1(c2cccc(Br)c2)CCOCC1 ZINC000065953194 654891484 /nfs/dbraw/zinc/89/14/84/654891484.db2.gz UEHHCMOEFRWJJR-UHFFFAOYSA-N 1 0 383.286 2.887 20 0 GFADRO C#CCOc1ccc(Br)cc1C[NH2+]CCNC(=O)c1ccccc1 ZINC000065979475 654892281 /nfs/dbraw/zinc/89/22/81/654892281.db2.gz CALMHEGZJHBLBQ-UHFFFAOYSA-N 1 0 387.277 2.981 20 0 GFADRO C[C@H]1C[N@@H+](C2CCN(CC(=O)Nc3ccc(Br)cc3)CC2)CCO1 ZINC000066561741 654906030 /nfs/dbraw/zinc/90/60/30/654906030.db2.gz XISDIYKHSPFOQB-AWEZNQCLSA-N 1 0 396.329 2.573 20 0 GFADRO C[NH+](C)[C@]1(CNC(=O)N(Cc2cccs2)C[C@H]2CCCO2)CCSC1 ZINC000267135916 654913032 /nfs/dbraw/zinc/91/30/32/654913032.db2.gz DMKJDZSCDGCLLI-QAPCUYQASA-N 1 0 383.583 2.876 20 0 GFADRO COc1ccc(OC(F)F)c(NC(=O)NC[C@@]2([NH+](C)C)CCSC2)c1 ZINC000267174911 654915066 /nfs/dbraw/zinc/91/50/66/654915066.db2.gz LUVPCTDBBRFCSA-INIZCTEOSA-N 1 0 375.441 2.855 20 0 GFADRO COC(=O)c1ccc(S(=O)(=O)NC2CC[NH+](C(C)(C)C)CC2)cc1Cl ZINC000131726817 654915615 /nfs/dbraw/zinc/91/56/15/654915615.db2.gz DNMOCIZXIUGDNE-UHFFFAOYSA-N 1 0 388.917 2.668 20 0 GFADRO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)c1ccc(NC(C)=O)c(Cl)c1 ZINC000267258537 654920484 /nfs/dbraw/zinc/92/04/84/654920484.db2.gz WFLKUGIFNYDTGF-KGLIPLIRSA-N 1 0 385.917 2.546 20 0 GFADRO O[C@@H](C[NH2+]Cc1cccs1)COc1ccc(I)cc1 ZINC000066992960 654924502 /nfs/dbraw/zinc/92/45/02/654924502.db2.gz CHQDNHHLYXJVRA-LBPRGKRZSA-N 1 0 389.258 2.882 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCCC[C@H]1C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000132197398 654928727 /nfs/dbraw/zinc/92/87/27/654928727.db2.gz SQNNZZACXZCLAI-JKIFEVAISA-N 1 0 388.555 2.642 20 0 GFADRO COCCOCC[NH+]1CCC(C(=O)Nc2cccc(Br)c2)CC1 ZINC000267449575 654928977 /nfs/dbraw/zinc/92/89/77/654928977.db2.gz LQWOPUDBSQYPDT-UHFFFAOYSA-N 1 0 385.302 2.763 20 0 GFADRO CS(=O)(=O)NCC[NH2+]C1(c2cccc(Br)c2)CCCCC1 ZINC000132224584 654929807 /nfs/dbraw/zinc/92/98/07/654929807.db2.gz GSBRIFFDTOWVEW-UHFFFAOYSA-N 1 0 375.332 2.747 20 0 GFADRO CN(CC[NH+](C)C)C(=O)Nc1cc(F)c(F)cc1I ZINC000267492872 654931267 /nfs/dbraw/zinc/93/12/67/654931267.db2.gz WLJUPTANKHLODL-UHFFFAOYSA-N 1 0 383.180 2.595 20 0 GFADRO C[C@@H](CNC(=O)c1ccnc(Cl)c1I)[N@H+](C)C1CC1 ZINC000132318420 654933322 /nfs/dbraw/zinc/93/33/22/654933322.db2.gz GHHZFRGJONBZFC-QMMMGPOBSA-N 1 0 393.656 2.552 20 0 GFADRO CSCc1ccc(NC(=O)C(=O)NC[C@H](c2cccs2)[NH+](C)C)cc1 ZINC000067491455 654939408 /nfs/dbraw/zinc/93/94/08/654939408.db2.gz PGQKIIZMKUCPSQ-OAHLLOKOSA-N 1 0 377.535 2.969 20 0 GFADRO CC[C@H](Cc1ccccc1Br)C(=O)NCCN1CC[NH+](CC)CC1 ZINC000132519536 654939985 /nfs/dbraw/zinc/93/99/85/654939985.db2.gz WPSVCRGQICHXNR-MRXNPFEDSA-N 1 0 396.373 2.772 20 0 GFADRO CC1CC[NH+](C[C@H](O)CNC(=O)Nc2ccc(F)cc2Br)CC1 ZINC000067544437 654940697 /nfs/dbraw/zinc/94/06/97/654940697.db2.gz ZBGZJETXCLFNLM-CYBMUJFWSA-N 1 0 388.281 2.803 20 0 GFADRO O=C(C[C@@H]1CSCC[NH2+]1)Nc1ccnn1Cc1cccc(Br)c1 ZINC000132560722 654941641 /nfs/dbraw/zinc/94/16/41/654941641.db2.gz SGKDJSDNCYHBCN-CQSZACIVSA-N 1 0 395.326 2.728 20 0 GFADRO C[N@@H+]1CCC[C@@H](CNC(=O)c2cn(-c3ccc(Br)cc3)cn2)C1 ZINC000132646576 654944613 /nfs/dbraw/zinc/94/46/13/654944613.db2.gz RUAZJYKEWKQBKM-ZDUSSCGKSA-N 1 0 377.286 2.706 20 0 GFADRO O=C(NCCC[NH+]1CCCC1)[C@@H]1CCN(c2cc(Cl)ccc2Cl)C1=O ZINC000068010008 654951334 /nfs/dbraw/zinc/95/13/34/654951334.db2.gz WWSITXROQNYPNF-AWEZNQCLSA-N 1 0 384.307 2.948 20 0 GFADRO O=C(CCC[NH+]1CCN(c2ccccc2)CC1)NC[C@@H]1CSCCS1 ZINC000133021351 654952332 /nfs/dbraw/zinc/95/23/32/654952332.db2.gz QWOQYOCSLMXXBX-GOSISDBHSA-N 1 0 379.595 2.554 20 0 GFADRO Cc1ccc(NC(=O)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)cc1Br ZINC000133242641 654957785 /nfs/dbraw/zinc/95/77/85/654957785.db2.gz HOWVIGPSLVMVQI-GFCCVEGCSA-N 1 0 384.318 2.789 20 0 GFADRO C[C@H](CNC(=O)[C@H]1C[C@@H]1c1ccc(Br)cc1)C[NH+]1CCN(C)CC1 ZINC000133379149 654962439 /nfs/dbraw/zinc/96/24/39/654962439.db2.gz AZIQPTUZBXGEKR-OLMNPRSZSA-N 1 0 394.357 2.552 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1c(F)cccc1I ZINC000268344937 654967646 /nfs/dbraw/zinc/96/76/46/654967646.db2.gz IFKTWJPLZGHYFA-CHWSQXEVSA-N 1 0 388.224 2.787 20 0 GFADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)NC1(c2c(Cl)cccc2Cl)CC1 ZINC000268404130 654969962 /nfs/dbraw/zinc/96/99/62/654969962.db2.gz KKDBCPYCUAIPCL-CYBMUJFWSA-N 1 0 385.339 2.918 20 0 GFADRO CC(C)[NH+]1CCC(O)(CNC(=O)CCOc2ccccc2Br)CC1 ZINC000268434437 654971296 /nfs/dbraw/zinc/97/12/96/654971296.db2.gz DQJMSCDGCRQEOV-UHFFFAOYSA-N 1 0 399.329 2.570 20 0 GFADRO CN(Cc1cnn(C)c1)C(=O)C[NH2+]C1(c2cccc(Br)c2)CCC1 ZINC000069010027 654971448 /nfs/dbraw/zinc/97/14/48/654971448.db2.gz KUDSOBIPVYZWGQ-UHFFFAOYSA-N 1 0 391.313 2.810 20 0 GFADRO CC[NH+](CC)CCN(Cc1ccccc1)S(=O)(=O)c1ncn(C)c1Cl ZINC000069041508 654971745 /nfs/dbraw/zinc/97/17/45/654971745.db2.gz BRKDNWNFCOKZHY-UHFFFAOYSA-N 1 0 384.933 2.606 20 0 GFADRO CN(C[C@@H](O)c1ccccc1Br)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000838484570 661047395 /nfs/dbraw/zinc/04/73/95/661047395.db2.gz HLROMWBGCTYRNS-WMLDXEAASA-N 1 0 396.329 2.608 20 0 GFADRO C[C@H]([NH2+]Cc1ccc(S(=O)(=O)N(C)C)cc1)c1ccc([S@](C)=O)cc1 ZINC000133853248 654975339 /nfs/dbraw/zinc/97/53/39/654975339.db2.gz VDDVHQQZZMMBIW-LFPIHBKWSA-N 1 0 380.535 2.525 20 0 GFADRO C[NH2+][C@H]1CCCN(C(=O)c2c(C)c3cc(Br)ccc3oc2=O)C1 ZINC000133855308 654975396 /nfs/dbraw/zinc/97/53/96/654975396.db2.gz NJSMZBJMVHJJDO-LBPRGKRZSA-N 1 0 379.254 2.688 20 0 GFADRO C[C@H]1CN(C(=O)NC[C@H]2CSCCS2)CC[N@H+](Cc2ccccc2)C1 ZINC000838511611 661048032 /nfs/dbraw/zinc/04/80/32/661048032.db2.gz UGDDOANPCVIFSN-AEFFLSMTSA-N 1 0 379.595 2.999 20 0 GFADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)/C=C(/c1ccc(Cl)cc1)C(F)(F)F ZINC000268545012 654977421 /nfs/dbraw/zinc/97/74/21/654977421.db2.gz NQZLIUUNOPYSJX-BUYRESAOSA-N 1 0 375.822 2.648 20 0 GFADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)N(C)C[C@H](O)c1ccccc1Br ZINC000838517283 661048532 /nfs/dbraw/zinc/04/85/32/661048532.db2.gz GMUDWPBJXWEKDC-YOEHRIQHSA-N 1 0 398.345 2.998 20 0 GFADRO C[NH+](C)CCn1nnnc1SCCCOc1cccc(C(F)(F)F)c1 ZINC000069288473 654979296 /nfs/dbraw/zinc/97/92/96/654979296.db2.gz OKWGDJUQJCFEOV-UHFFFAOYSA-N 1 0 375.420 2.815 20 0 GFADRO CC(C)[NH+]1CCC(O)(CNC(=O)NCc2csc(Br)c2)CC1 ZINC000268630417 654980517 /nfs/dbraw/zinc/98/05/17/654980517.db2.gz VZOHWYINFMHTNQ-UHFFFAOYSA-N 1 0 390.347 2.545 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000268678398 654982314 /nfs/dbraw/zinc/98/23/14/654982314.db2.gz DGDODHXLDHOJMS-LBPRGKRZSA-N 1 0 394.313 2.551 20 0 GFADRO CCCNC(=O)CN1CCC([NH2+]Cc2ccc(CSC(F)F)o2)CC1 ZINC000069679351 654985253 /nfs/dbraw/zinc/98/52/53/654985253.db2.gz CHAYCCRGAJLDIF-UHFFFAOYSA-N 1 0 375.485 2.816 20 0 GFADRO COc1ccc(C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)cc1Br ZINC000069710039 654985557 /nfs/dbraw/zinc/98/55/57/654985557.db2.gz FFACNYNEBKZKTN-AWEZNQCLSA-N 1 0 397.313 2.642 20 0 GFADRO Cc1cc(Br)ccc1C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000069744818 654986057 /nfs/dbraw/zinc/98/60/57/654986057.db2.gz CEBKKVZQBGZEFM-HNNXBMFYSA-N 1 0 381.314 2.942 20 0 GFADRO OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1Nc1ncncc1Br ZINC000268807221 654987417 /nfs/dbraw/zinc/98/74/17/654987417.db2.gz KXKCVAVTGNFNNZ-HOCLYGCPSA-N 1 0 377.286 2.534 20 0 GFADRO Cc1c([C@H](C)[NH2+]C[C@]2(O)CCSC2)nnn1-c1cccc(Br)c1 ZINC000268926203 654991649 /nfs/dbraw/zinc/99/16/49/654991649.db2.gz LCEXTMXUHQBZEI-MEDUHNTESA-N 1 0 397.342 2.857 20 0 GFADRO O=C(Nc1nc(C(F)(F)F)cs1)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000268941946 654992024 /nfs/dbraw/zinc/99/20/24/654992024.db2.gz GBGMLFZQTLYEAX-QWRGUYRKSA-N 1 0 378.420 2.661 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)[C@@H]1CCCN1C(=O)c1cccs1)c1cccs1 ZINC000070690530 654993261 /nfs/dbraw/zinc/99/32/61/654993261.db2.gz WOFGEKLVKBYEFW-KBPBESRZSA-N 1 0 377.535 2.833 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)[C@@H]1CCCN1C(=O)c1cccs1)c1cccs1 ZINC000070690533 654993356 /nfs/dbraw/zinc/99/33/56/654993356.db2.gz WOFGEKLVKBYEFW-UONOGXRCSA-N 1 0 377.535 2.833 20 0 GFADRO CCC(=O)N1CC[C@@H]([NH2+]Cc2nc(-c3cccc(Br)c3)c[nH]2)C1 ZINC000134535746 654995831 /nfs/dbraw/zinc/99/58/31/654995831.db2.gz IQTINAQKSLTTLV-CQSZACIVSA-N 1 0 377.286 2.940 20 0 GFADRO C[C@@H](CCS(C)(=O)=O)[NH2+]Cc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000134592752 654997125 /nfs/dbraw/zinc/99/71/25/654997125.db2.gz QJLFRDPFHNDYOQ-NSHDSACASA-N 1 0 386.315 2.752 20 0 GFADRO CCOc1ccc(Br)cc1CN(C(=O)C[C@H]1C[NH2+]CCO1)C1CC1 ZINC000269223557 655002194 /nfs/dbraw/zinc/00/21/94/655002194.db2.gz MDSADKLDSXKWGX-INIZCTEOSA-N 1 0 397.313 2.717 20 0 GFADRO CN(C[C@@H](O)c1ccccc1Br)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000838685353 661054318 /nfs/dbraw/zinc/05/43/18/661054318.db2.gz RLENKZCPJNFQRQ-DSZSVDOYSA-N 1 0 396.329 2.749 20 0 GFADRO CCn1cc(C[N@@H+]2CCC[C@@H](C(=O)Nc3ccc(Br)cn3)C2)cn1 ZINC000091841668 655010308 /nfs/dbraw/zinc/01/03/08/655010308.db2.gz SXYMTEQVPZMYIM-CQSZACIVSA-N 1 0 392.301 2.911 20 0 GFADRO Cc1cc(C[N@@H+]2CCC[C@@H](CNS(C)(=O)=O)C2)cc(C)c1OC(F)F ZINC000269545189 655013380 /nfs/dbraw/zinc/01/33/80/655013380.db2.gz YAUXKVDONVCZLY-AWEZNQCLSA-N 1 0 376.469 2.666 20 0 GFADRO CCOc1cc(C[N@@H+]2CCC[C@@H]2CSC)nc2nc(C(F)(F)F)nn21 ZINC000135424260 655016312 /nfs/dbraw/zinc/01/63/12/655016312.db2.gz ITIRAOOLDITPAA-LLVKDONJSA-N 1 0 375.420 2.869 20 0 GFADRO CCOC(=O)C1(NC(=O)c2ccc(Br)cc2C)CC[NH+](C)CC1 ZINC000135456995 655017166 /nfs/dbraw/zinc/01/71/66/655017166.db2.gz QUYXIJYPDZHLJF-UHFFFAOYSA-N 1 0 383.286 2.515 20 0 GFADRO Cn1cc(C[NH2+]CCNC(=O)c2ccc(Br)cc2)c(C(C)(C)C)n1 ZINC000093960889 655025440 /nfs/dbraw/zinc/02/54/40/655025440.db2.gz SZEQKKBRCADQNA-UHFFFAOYSA-N 1 0 393.329 3.000 20 0 GFADRO COc1ccc(CC[NH2+]Cc2csc3ccccc23)cc1S(N)(=O)=O ZINC000094013688 655025955 /nfs/dbraw/zinc/02/59/55/655025955.db2.gz FSDKVQRISOCNPD-UHFFFAOYSA-N 1 0 376.503 2.890 20 0 GFADRO CC[NH+]1CCN(CCCNC(=O)c2ccc(Cl)c(Br)c2)CC1 ZINC000269908884 655026947 /nfs/dbraw/zinc/02/69/47/655026947.db2.gz JUAKGEFEHNOUSE-UHFFFAOYSA-N 1 0 388.737 2.860 20 0 GFADRO CSCC[C@H](CO)NC(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000136360850 655030621 /nfs/dbraw/zinc/03/06/21/655030621.db2.gz BKCCNUWCDVWDGN-HZPDHXFCSA-N 1 0 385.599 2.934 20 0 GFADRO CC[NH+]1CCN(C[C@H](C)CNS(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC000096999567 655033016 /nfs/dbraw/zinc/03/30/16/655033016.db2.gz ONVNLSHXDFLSBI-CYBMUJFWSA-N 1 0 394.368 2.545 20 0 GFADRO COC[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc(I)c1)C1CC1 ZINC000136615891 655033810 /nfs/dbraw/zinc/03/38/10/655033810.db2.gz LYMMHNRCPQBZMU-IINYFYTJSA-N 1 0 388.249 2.633 20 0 GFADRO COc1cc(C[NH2+][C@H](C)c2cn[nH]c2)cc(I)c1OC ZINC000270162663 655035712 /nfs/dbraw/zinc/03/57/12/655035712.db2.gz GACUMOKDKDMCQL-SECBINFHSA-N 1 0 387.221 2.882 20 0 GFADRO CCC[NH+]1CCC(NC(=O)Cc2ccccc2I)CC1 ZINC000136861213 655036351 /nfs/dbraw/zinc/03/63/51/655036351.db2.gz DETHTAWQRIWRCI-UHFFFAOYSA-N 1 0 386.277 2.824 20 0 GFADRO O=C(Cc1ccc(Br)s1)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000136916936 655036794 /nfs/dbraw/zinc/03/67/94/655036794.db2.gz ABPBOBDRBYEDHZ-GFCCVEGCSA-N 1 0 387.343 2.670 20 0 GFADRO O=C(COc1cc(Cl)ccc1Cl)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000136934200 655036844 /nfs/dbraw/zinc/03/68/44/655036844.db2.gz NMBMPWMHURVGMN-ZDUSSCGKSA-N 1 0 387.307 2.989 20 0 GFADRO C[C@@H]1C[N@@H+](CCCNC(=O)Cc2cc(F)ccc2Br)C[C@H](C)O1 ZINC000137120856 655037982 /nfs/dbraw/zinc/03/79/82/655037982.db2.gz SDKMEKUYQHTLTQ-BETUJISGSA-N 1 0 387.293 2.746 20 0 GFADRO Cc1cc(COc2ccc(C(=O)NC[C@@H]([NH3+])C3CC3)cc2Br)no1 ZINC000137313562 655039507 /nfs/dbraw/zinc/03/95/07/655039507.db2.gz VJMKWDYFWUMHIX-OAHLLOKOSA-N 1 0 394.269 2.792 20 0 GFADRO Brc1cc(CN2CCC(C[NH+]3CCOCC3)CC2)cc2c1OCO2 ZINC000101726691 655046551 /nfs/dbraw/zinc/04/65/51/655046551.db2.gz PBTGDXNKMQLIDQ-UHFFFAOYSA-N 1 0 397.313 2.722 20 0 GFADRO CC(C)OC[C@@H](O)C[NH+]1CCC(C(=O)Nc2ccccc2Br)CC1 ZINC000101929408 655048795 /nfs/dbraw/zinc/04/87/95/655048795.db2.gz KNGMFIVMBGXZNN-HNNXBMFYSA-N 1 0 399.329 2.886 20 0 GFADRO CS[C@H]1CN(C(=O)c2cc(Br)cnc2Cl)C[C@@H]1[NH+](C)C ZINC000270590115 655049926 /nfs/dbraw/zinc/04/99/26/655049926.db2.gz BMECZMAJBDXRGW-QWRGUYRKSA-N 1 0 378.723 2.615 20 0 GFADRO CS(=O)(=O)[C@@H]1CCC[C@@H]([NH2+][C@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)C1 ZINC000270594782 655050102 /nfs/dbraw/zinc/05/01/02/655050102.db2.gz JMEFMZNSVZSCJQ-KFNAQCHYSA-N 1 0 388.892 2.530 20 0 GFADRO COC(=O)c1cc(S(=O)(=O)NC2CCC(C[NH+](C)C)CC2)ccc1Cl ZINC000151798558 655054577 /nfs/dbraw/zinc/05/45/77/655054577.db2.gz LHWJGEXWTVYLFI-UHFFFAOYSA-N 1 0 388.917 2.525 20 0 GFADRO CN(CC[NH+]1CCCC1)C(=O)[C@H]1CCN(c2cc(Cl)ccc2Cl)C1=O ZINC000103116262 655067089 /nfs/dbraw/zinc/06/70/89/655067089.db2.gz ZJGCCYSUWVRQAE-CQSZACIVSA-N 1 0 384.307 2.901 20 0 GFADRO C[NH+](C)CCOc1ccccc1CNS(=O)(=O)c1cc(F)ccc1Cl ZINC000103158275 655068070 /nfs/dbraw/zinc/06/80/70/655068070.db2.gz QTKYXMKFVXDNMZ-UHFFFAOYSA-N 1 0 386.876 2.898 20 0 GFADRO O=C(C1CC[NH+](C[C@H](O)c2ccc(Br)cc2)CC1)N1CCCC1 ZINC000103465619 655072840 /nfs/dbraw/zinc/07/28/40/655072840.db2.gz COCQZOKGPBZCSW-KRWDZBQOSA-N 1 0 381.314 2.817 20 0 GFADRO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)c1ccc(Br)nc1 ZINC000271330602 655076453 /nfs/dbraw/zinc/07/64/53/655076453.db2.gz FQONVTOHLGKDPH-UHFFFAOYSA-N 1 0 375.270 2.886 20 0 GFADRO O=C(CC[N@@H+]1CCC[C@@H]1C(=O)N1CCSCC1)Nc1ccccc1Cl ZINC000104090873 655078514 /nfs/dbraw/zinc/07/85/14/655078514.db2.gz UAECJYHPMQNDGP-MRXNPFEDSA-N 1 0 381.929 2.708 20 0 GFADRO C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000104188844 655079532 /nfs/dbraw/zinc/07/95/32/655079532.db2.gz SJPJEXAAPNZIIM-GHMZBOCLSA-N 1 0 375.694 2.938 20 0 GFADRO C[NH+](C)CC(C)(C)CNC(=O)c1ccc(I)c(F)c1 ZINC000104214098 655079736 /nfs/dbraw/zinc/07/97/36/655079736.db2.gz USPKAAFMXYRIHO-UHFFFAOYSA-N 1 0 378.229 2.748 20 0 GFADRO C[NH+](C)CCCC1CCN(C(=O)c2nccn3c(Br)cnc23)CC1 ZINC000271490437 655083150 /nfs/dbraw/zinc/08/31/50/655083150.db2.gz XKJLITWCECDOST-UHFFFAOYSA-N 1 0 394.317 2.686 20 0 GFADRO COCc1nc2n(n1)C[C@H]([NH2+][C@@H]1CCc3cc(Br)ccc31)CC2 ZINC000271542903 655084814 /nfs/dbraw/zinc/08/48/14/655084814.db2.gz UODFXNBMJZIITB-UKRRQHHQSA-N 1 0 377.286 2.779 20 0 GFADRO C[C@H](CNC(=O)C(=O)Nc1ccc(Br)c2ccccc12)[NH+](C)C ZINC000271592971 655087443 /nfs/dbraw/zinc/08/74/43/655087443.db2.gz VQQSEOCDJOEDCT-LLVKDONJSA-N 1 0 378.270 2.607 20 0 GFADRO COC(=O)C1CCN(C(=O)C[NH2+][C@H](C)c2ccc(Br)cc2)CC1 ZINC000271622809 655088730 /nfs/dbraw/zinc/08/87/30/655088730.db2.gz FHLWIFZTMZSWRV-GFCCVEGCSA-N 1 0 383.286 2.511 20 0 GFADRO COc1ccc(Br)cc1C(=O)CCC(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000105326325 655090786 /nfs/dbraw/zinc/09/07/86/655090786.db2.gz BQFVMIMIZCUCPZ-CQSZACIVSA-N 1 0 397.313 2.973 20 0 GFADRO CC[NH+]1CCC(NCc2ccc(Br)cc2N2CCOCC2)CC1 ZINC000271706291 655092020 /nfs/dbraw/zinc/09/20/20/655092020.db2.gz NLXJMRLHCJVBIS-UHFFFAOYSA-N 1 0 382.346 2.860 20 0 GFADRO CNS(=O)(=O)C1CCN(Cc2ccc(Cl)c(Br)c2)CC1 ZINC000271749981 655093778 /nfs/dbraw/zinc/09/37/78/655093778.db2.gz UWACRDVRAHFYKU-UHFFFAOYSA-N 1 0 381.723 2.616 20 0 GFADRO COC(=O)[C@@H](C)C[N@H+](Cn1ccc(=O)c2cccc(Br)c21)C1CC1 ZINC000105604625 655095868 /nfs/dbraw/zinc/09/58/68/655095868.db2.gz VHXRCANGISOBIC-LBPRGKRZSA-N 1 0 393.281 2.995 20 0 GFADRO COCC[N@@H+](Cc1c(C)nn(C)c1C)C[C@@H](O)c1ccc(Br)cc1 ZINC000839124536 661072692 /nfs/dbraw/zinc/07/26/92/661072692.db2.gz ZVWBJGBBSFOJRD-GOSISDBHSA-N 1 0 396.329 2.981 20 0 GFADRO CCC[C@](C)([NH3+])C(=O)N1CCC(C(=O)Nc2ccc(Br)cn2)CC1 ZINC000272332419 655109246 /nfs/dbraw/zinc/10/92/46/655109246.db2.gz NHXGYYPSGRRAPM-KRWDZBQOSA-N 1 0 397.317 2.539 20 0 GFADRO CC(C)[C@@H](C(=O)NC[C@@H]1CCN(c2cccc(Br)c2)C1)[NH+](C)C ZINC000106910939 655114558 /nfs/dbraw/zinc/11/45/58/655114558.db2.gz OITGLYOJYLWGSV-YOEHRIQHSA-N 1 0 382.346 2.978 20 0 GFADRO C[NH+]1CCC(C)(CNC(=O)C[C@H]2Sc3ccc(Cl)cc3NC2=O)CC1 ZINC000272515330 655115367 /nfs/dbraw/zinc/11/53/67/655115367.db2.gz JVDCMPMHGXXJOH-OAHLLOKOSA-N 1 0 381.929 2.991 20 0 GFADRO C[N@@H+]1CC[C@H]2CCN(C(=O)c3ccc(F)cc3I)[C@@H]2C1 ZINC000272542233 655115869 /nfs/dbraw/zinc/11/58/69/655115869.db2.gz RZPBHJJQZFSFRU-IINYFYTJSA-N 1 0 388.224 2.597 20 0 GFADRO O=C(Nc1ccc(Br)cc1F)C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000106962651 655115825 /nfs/dbraw/zinc/11/58/25/655115825.db2.gz MXHCPANBEPRMQO-LBPRGKRZSA-N 1 0 398.276 2.660 20 0 GFADRO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)C[NH2+]C(C)(C)C(C)(C)O ZINC000272558739 655116149 /nfs/dbraw/zinc/11/61/49/655116149.db2.gz IBURABZKXCQBAF-UHFFFAOYSA-N 1 0 377.268 2.858 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)NCC(C)(C)[NH+](C)C ZINC000107205939 655118177 /nfs/dbraw/zinc/11/81/77/655118177.db2.gz MXCLNCLYTMKTOI-AWEZNQCLSA-N 1 0 386.583 2.807 20 0 GFADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)c1sccc1SC(F)F ZINC000107242307 655118852 /nfs/dbraw/zinc/11/88/52/655118852.db2.gz CVJGXBZYMJMYIM-NSHDSACASA-N 1 0 391.509 2.735 20 0 GFADRO COc1ccc(C(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)nc1Br ZINC000272787160 655121308 /nfs/dbraw/zinc/12/13/08/655121308.db2.gz PCXKRUSCXGDCLM-CYBMUJFWSA-N 1 0 382.302 2.657 20 0 GFADRO Cc1ccc(I)cc1C(=O)N[C@@H](C)C1=CC[N@H+](C)CC1 ZINC000272836237 655122905 /nfs/dbraw/zinc/12/29/05/655122905.db2.gz ZBZPYWQFFHLMID-LBPRGKRZSA-N 1 0 384.261 2.980 20 0 GFADRO C[C@@]1(CNC(=O)c2cc(F)ccc2I)CCC[NH2+]C1 ZINC000273031738 655128029 /nfs/dbraw/zinc/12/80/29/655128029.db2.gz SDHJWLVNFXKXNK-CQSZACIVSA-N 1 0 376.213 2.550 20 0 GFADRO OC[C@@H]([NH2+]C[C@@H](O)COCc1ccccc1)c1ccc(Br)cc1 ZINC000273092805 655130036 /nfs/dbraw/zinc/13/00/36/655130036.db2.gz JWQXSNBSYUJCSZ-QZTJIDSGSA-N 1 0 380.282 2.650 20 0 GFADRO C[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(F)cc2I)C1 ZINC000108340043 655131356 /nfs/dbraw/zinc/13/13/56/655131356.db2.gz GUZHQCMWLWJFPL-JTQLQIEISA-N 1 0 376.213 2.502 20 0 GFADRO O=C(C[NH2+][C@H](CO)c1ccc(Br)cc1)N1CCc2sccc2C1 ZINC000273147629 655132127 /nfs/dbraw/zinc/13/21/27/655132127.db2.gz WFYIIWPPPAUAJZ-OAHLLOKOSA-N 1 0 395.322 2.719 20 0 GFADRO Cn1ncc(C(=O)Nc2ccccc2NC2CC[NH+](C)CC2)c1Br ZINC000273158868 655132967 /nfs/dbraw/zinc/13/29/67/655132967.db2.gz BKEPFNQLDPRFQJ-UHFFFAOYSA-N 1 0 392.301 2.941 20 0 GFADRO CCCC[C@@H](C[NH3+])NC(=O)c1ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c1 ZINC000162853490 655133803 /nfs/dbraw/zinc/13/38/03/655133803.db2.gz IXBTUWWNUKVDMX-ZDUSSCGKSA-N 1 0 389.949 2.664 20 0 GFADRO Cc1ccc([C@H]([NH2+][C@@H](C)C[S@](C)=O)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000273180861 655133911 /nfs/dbraw/zinc/13/39/11/655133911.db2.gz DZJYJTKZDYZQEF-KFSOKAEPSA-N 1 0 379.547 2.845 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CN(C(=O)c2ccc(-c3ccc(Br)cc3)n2C)CCO1 ZINC000163132610 655134344 /nfs/dbraw/zinc/13/43/44/655134344.db2.gz GCILYMWDWDIRGW-SJKOYZFVSA-N 1 0 392.297 2.643 20 0 GFADRO Cc1cc(NC(=O)CNC(=O)CC2CC[NH+](C)CC2)ccc1Br ZINC000273257762 655136856 /nfs/dbraw/zinc/13/68/56/655136856.db2.gz XHWWBEPCYNCGSW-UHFFFAOYSA-N 1 0 382.302 2.544 20 0 GFADRO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(-n2cc(Br)cn2)cc1 ZINC000108784747 655137847 /nfs/dbraw/zinc/13/78/47/655137847.db2.gz KRGLDHSPLLLJLA-CYBMUJFWSA-N 1 0 389.297 2.849 20 0 GFADRO C[N@@H+]1CCC[C@@H]2CN(Cn3c4cc(Br)ccc4oc3=O)CC[C@@H]21 ZINC000164665705 655138041 /nfs/dbraw/zinc/13/80/41/655138041.db2.gz CZPJXSITNJBDFY-OCCSQVGLSA-N 1 0 380.286 2.731 20 0 GFADRO CC[C@@H](C)[N@H+](C)CCNS(=O)(=O)c1cc(Br)cnc1Cl ZINC000170886038 655147210 /nfs/dbraw/zinc/14/72/10/655147210.db2.gz ALFFASZTNPICTH-SECBINFHSA-N 1 0 384.727 2.506 20 0 GFADRO O=C(NCCCC[NH+]1CCOCC1)[C@H]1C[C@H]1c1cccc(Br)c1 ZINC000109567354 655148886 /nfs/dbraw/zinc/14/88/86/655148886.db2.gz VSKBMWMYXFIHDW-IRXDYDNUSA-N 1 0 381.314 2.781 20 0 GFADRO CCO[C@@H]1C[C@H]([NH2+]Cc2cnc3ccc(Br)cn23)[C@]12CCCO2 ZINC000273599803 655150375 /nfs/dbraw/zinc/15/03/75/655150375.db2.gz LPVCWBYLTLTODD-ZMSDIMECSA-N 1 0 380.286 2.913 20 0 GFADRO C[NH+](C)[C@H]1CCCN(Cc2nc(Cc3cccc(Br)c3)no2)C1 ZINC000109811611 655152349 /nfs/dbraw/zinc/15/23/49/655152349.db2.gz PMUGNVOCBCSFEV-HNNXBMFYSA-N 1 0 379.302 2.949 20 0 GFADRO COC(=O)CN(C)C(=O)CC[N@@H+]1CCC[C@@H]1c1cccc(Br)c1 ZINC000109831991 655153145 /nfs/dbraw/zinc/15/31/45/655153145.db2.gz MPWYJQIMNISNAU-OAHLLOKOSA-N 1 0 383.286 2.608 20 0 GFADRO COc1ccc([C@@H](CO)C[NH2+]Cc2c(Cl)n(C)nc2C(F)(F)F)cc1 ZINC000839184290 661075507 /nfs/dbraw/zinc/07/55/07/661075507.db2.gz FULSFWFSCARTSO-LLVKDONJSA-N 1 0 377.794 2.967 20 0 GFADRO S=c1oc(-c2cccs2)nn1CN1CC[NH+](CC2CCOCC2)CC1 ZINC000172407054 655157903 /nfs/dbraw/zinc/15/79/03/655157903.db2.gz NKHINNHFRJGGIP-UHFFFAOYSA-N 1 0 380.539 2.936 20 0 GFADRO CNC(=O)[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc(Br)c(C)c2)C1 ZINC000111265118 655167352 /nfs/dbraw/zinc/16/73/52/655167352.db2.gz HWJNXAVTQOKCSU-STQMWFEESA-N 1 0 382.302 2.543 20 0 GFADRO CS[C@@H]1CN(CC(=O)N2CCSc3ccccc32)C[C@H]1[NH+]1CCCC1 ZINC000274066392 655171472 /nfs/dbraw/zinc/17/14/72/655171472.db2.gz PIVCVEIJUGEIBD-SJLPKXTDSA-N 1 0 377.579 2.637 20 0 GFADRO Brc1ccc(Cc2nc(CN3CC[NH+](CC4CC4)CC3)no2)cc1 ZINC000111684360 655176154 /nfs/dbraw/zinc/17/61/54/655176154.db2.gz TWKQSXPHWIFZEW-UHFFFAOYSA-N 1 0 391.313 2.951 20 0 GFADRO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)Nc2ccc(Br)c(C)c2)C1 ZINC000173704719 655176822 /nfs/dbraw/zinc/17/68/22/655176822.db2.gz COHPVKDTKDOWPI-CQSZACIVSA-N 1 0 382.302 2.639 20 0 GFADRO COCCOC[C@H]1CC[N@H+](CCC(=O)Nc2cccc(Br)c2)C1 ZINC000173732515 655178422 /nfs/dbraw/zinc/17/84/22/655178422.db2.gz UIVRXPJCZFVOQV-AWEZNQCLSA-N 1 0 385.302 2.763 20 0 GFADRO C[C@@H](CNC(=O)COc1ccc(C=O)cc1Br)[NH+]1CCC(C)CC1 ZINC000173868299 655183125 /nfs/dbraw/zinc/18/31/25/655183125.db2.gz ZQRVIVJJAAGJIO-AWEZNQCLSA-N 1 0 397.313 2.877 20 0 GFADRO Cc1cc(Br)cc(C(=O)N2CCN(CC[NH+]3CCCC3)CC2)c1 ZINC000274324867 655184900 /nfs/dbraw/zinc/18/49/00/655184900.db2.gz ZSKNCTXQPSBHNV-UHFFFAOYSA-N 1 0 380.330 2.611 20 0 GFADRO CCC[NH+]1CCC(N2CCN(C(=O)c3oc(Br)cc3C)CC2)CC1 ZINC000112324940 655188620 /nfs/dbraw/zinc/18/86/20/655188620.db2.gz GRVJBKFSVXIHBT-UHFFFAOYSA-N 1 0 398.345 2.983 20 0 GFADRO C[C@@H](CN1CCN(C)CC1)[NH2+]Cc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000112374298 655190405 /nfs/dbraw/zinc/19/04/05/655190405.db2.gz LLGFBGIOSHTUSH-AWEZNQCLSA-N 1 0 392.345 2.565 20 0 GFADRO CC[NH+](CC)[C@@H](CNC(=O)NCCCCCS(C)(=O)=O)c1ccsc1 ZINC000274697832 655197765 /nfs/dbraw/zinc/19/77/65/655197765.db2.gz PCQVFZKBPRBNII-INIZCTEOSA-N 1 0 389.587 2.645 20 0 GFADRO COCC[NH+]1CCC(N[C@@H](C)C(=O)Nc2ccc(Br)c(C)c2)CC1 ZINC000174301567 655198028 /nfs/dbraw/zinc/19/80/28/655198028.db2.gz WTBIJLQUVWJJAX-AWEZNQCLSA-N 1 0 398.345 2.785 20 0 GFADRO NC(=O)[C@H](N[C@H]1CC[N@H+](CC2CCCC2)C1)c1ccc(Br)cc1F ZINC000174318486 655198939 /nfs/dbraw/zinc/19/89/39/655198939.db2.gz PPKSFSFWCJXBOM-WMLDXEAASA-N 1 0 398.320 2.969 20 0 GFADRO COc1ccc(CNC(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)cc1Br ZINC000174572170 655203922 /nfs/dbraw/zinc/20/39/22/655203922.db2.gz BWIJXMSNYDUZBX-CQSZACIVSA-N 1 0 380.286 2.613 20 0 GFADRO COCC[NH+]1CCC(NC(=O)Cc2ccc(Cl)cc2Br)CC1 ZINC000113156396 655204316 /nfs/dbraw/zinc/20/43/16/655204316.db2.gz HWHRKNIZYWAYDD-UHFFFAOYSA-N 1 0 389.721 2.872 20 0 GFADRO Brc1ccccc1-n1cc(C[NH2+]C2CCC3(CC2)OCCO3)nn1 ZINC000274880343 655205668 /nfs/dbraw/zinc/20/56/68/655205668.db2.gz HJOQKMFUJVCCOI-UHFFFAOYSA-N 1 0 393.285 2.805 20 0 GFADRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)c2nc(Br)sc2C)C1 ZINC000839695151 661100280 /nfs/dbraw/zinc/10/02/80/661100280.db2.gz ACFJBMBCZCLXAE-LBPRGKRZSA-N 1 0 390.347 2.787 20 0 GFADRO C[NH+](C)C[C@H]1CCN(C(=O)c2ccc(I)cc2Cl)C1 ZINC000113452358 655210672 /nfs/dbraw/zinc/21/06/72/655210672.db2.gz PTXFHGIOFPTVFI-SNVBAGLBSA-N 1 0 392.668 2.968 20 0 GFADRO C[NH+](C)C[C@@H]1CCN(C(=O)c2ccc(I)cc2Cl)C1 ZINC000113452355 655210682 /nfs/dbraw/zinc/21/06/82/655210682.db2.gz PTXFHGIOFPTVFI-JTQLQIEISA-N 1 0 392.668 2.968 20 0 GFADRO CNC(=O)CC1CC[NH+](C[C@@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000175042118 655213252 /nfs/dbraw/zinc/21/32/52/655213252.db2.gz MSWQKCNSGKLXDS-CYBMUJFWSA-N 1 0 375.296 2.581 20 0 GFADRO CC[N@H+](CCO)CCOc1cc(Br)c(OC)cc1Br ZINC000175176124 655214457 /nfs/dbraw/zinc/21/44/57/655214457.db2.gz GRZSSELSKICABA-UHFFFAOYSA-N 1 0 397.107 2.913 20 0 GFADRO CC[N@@H+]1CCCC[C@H]1CNS(=O)(=O)c1cc(OC)ccc1Br ZINC000175281241 655217769 /nfs/dbraw/zinc/21/77/69/655217769.db2.gz SLGVHEWWQFFNRC-LBPRGKRZSA-N 1 0 391.331 2.610 20 0 GFADRO O=C(CC[N@H+]1CC[C@@H](C(=O)NCC(F)(F)F)C1)Nc1ccc(Cl)cc1 ZINC000275119813 655217943 /nfs/dbraw/zinc/21/79/43/655217943.db2.gz PGGOWOMJCOGQFA-LLVKDONJSA-N 1 0 377.794 2.669 20 0 GFADRO COc1cc(C[NH2+][C@@H]2CCCC[C@H]2O)cc(I)c1OC ZINC000114215843 655218374 /nfs/dbraw/zinc/21/83/74/655218374.db2.gz LMTIFYALUHCLGP-CHWSQXEVSA-N 1 0 391.249 2.702 20 0 GFADRO CSc1nsc(NC(=O)CCC[NH+]2CCN(c3ccccc3)CC2)n1 ZINC000175527843 655222548 /nfs/dbraw/zinc/22/25/48/655222548.db2.gz AORUUDLZLANBNZ-UHFFFAOYSA-N 1 0 377.539 2.801 20 0 GFADRO C[C@H](CNC(=O)c1cc(-c2ccc(Cl)s2)on1)C[NH+]1CCN(C)CC1 ZINC000114379207 655223038 /nfs/dbraw/zinc/22/30/38/655223038.db2.gz JCEBYXQSTCAAOP-GFCCVEGCSA-N 1 0 382.917 2.670 20 0 GFADRO C[C@@H]([NH2+]CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1)C(C)(C)C ZINC000114473903 655224825 /nfs/dbraw/zinc/22/48/25/655224825.db2.gz FOJNHWILIFWDMA-LLVKDONJSA-N 1 0 375.922 2.553 20 0 GFADRO CC(C)(C)OC(=O)CS(=O)(=O)CC[NH2+]C(C)(C)c1cccc(Cl)c1 ZINC000839544624 661090765 /nfs/dbraw/zinc/09/07/65/661090765.db2.gz NTOYXINNVJSHJN-UHFFFAOYSA-N 1 0 375.918 2.921 20 0 GFADRO O=C([C@H]1C[C@@H]1c1ccc(Br)cc1)N1CC[NH+](C2CCOCC2)CC1 ZINC000175837270 655227922 /nfs/dbraw/zinc/22/79/22/655227922.db2.gz ZQUQGLMWTCCDRT-MSOLQXFVSA-N 1 0 393.325 2.876 20 0 GFADRO CCS[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1ccccc1SCC(N)=O ZINC000275326818 655229671 /nfs/dbraw/zinc/22/96/71/655229671.db2.gz UYXJUZIVHZUSKV-DZGCQCFKSA-N 1 0 381.567 2.856 20 0 GFADRO CC[NH+](CC)Cc1cccc(NC(=O)c2cc(S(=O)(=O)NC)cs2)c1 ZINC000176037871 655232591 /nfs/dbraw/zinc/23/25/91/655232591.db2.gz RCRXFSAUXIUQAF-UHFFFAOYSA-N 1 0 381.523 2.750 20 0 GFADRO CS(=O)(=O)c1ccc(C(=O)NC2CC[NH+](Cc3ccsc3)CC2)cc1 ZINC000115116131 655232659 /nfs/dbraw/zinc/23/26/59/655232659.db2.gz LVLOAMIZIJXTHS-UHFFFAOYSA-N 1 0 378.519 2.546 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)c1cc(I)c[nH]1)Cc1ccccc1 ZINC000115321805 655234890 /nfs/dbraw/zinc/23/48/90/655234890.db2.gz OUUYXJMPVNLCCS-AWEZNQCLSA-N 1 0 397.260 2.522 20 0 GFADRO Cc1ccc(S(=O)(=O)N(C)C[C@H]2CCC[N@H+](C)C2)c(Br)c1 ZINC000115585522 655239512 /nfs/dbraw/zinc/23/95/12/655239512.db2.gz BIEFGQQLGDUUNO-ZDUSSCGKSA-N 1 0 375.332 2.720 20 0 GFADRO Cc1ccc(S(=O)(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)c(Br)c1 ZINC000115585519 655239553 /nfs/dbraw/zinc/23/95/53/655239553.db2.gz BIEFGQQLGDUUNO-CYBMUJFWSA-N 1 0 375.332 2.720 20 0 GFADRO COc1cc(Cl)c(S(=O)(=O)N(C)C[C@H]2CCC[N@H+](C)C2)cc1Cl ZINC000115585809 655239594 /nfs/dbraw/zinc/23/95/94/655239594.db2.gz YEOGZRXCZYHRFW-NSHDSACASA-N 1 0 381.325 2.964 20 0 GFADRO CCOCCC[N@@H+]1CC[C@H](NS(=O)(=O)c2ccc(SC)cc2)[C@H](C)C1 ZINC000115592172 655240191 /nfs/dbraw/zinc/24/01/91/655240191.db2.gz SYTWPWLMROPDQO-QAPCUYQASA-N 1 0 386.583 2.824 20 0 GFADRO CS[C@@H]1CN(C(=O)c2nc(Br)cs2)C[C@@H]1[NH+]1CCCC1 ZINC000275706933 655247856 /nfs/dbraw/zinc/24/78/56/655247856.db2.gz QPSHCOSUVNHUNV-VHSXEESVSA-N 1 0 376.345 2.557 20 0 GFADRO C[NH+](C)CC[C@@H](NC(=O)C(=O)Nc1ccc(Br)cc1)C(C)(C)C ZINC000116589883 655249796 /nfs/dbraw/zinc/24/97/96/655249796.db2.gz RKYKWABHTDVHHL-CQSZACIVSA-N 1 0 384.318 2.870 20 0 GFADRO CSc1nnc(CNC(=O)N(CC[NH+](C)C)Cc2cccc(F)c2)s1 ZINC000275754995 655249819 /nfs/dbraw/zinc/24/98/19/655249819.db2.gz TYIJADKOSVYCJB-UHFFFAOYSA-N 1 0 383.518 2.673 20 0 GFADRO COc1cc(C[NH2+]CCC[S@@](C)=O)cc(Br)c1OC(F)F ZINC000116918892 655256971 /nfs/dbraw/zinc/25/69/71/655256971.db2.gz IASJUJOKJWROQB-NRFANRHFSA-N 1 0 386.258 2.917 20 0 GFADRO CC[C@@H](CO)[NH+]1CCN(C(=O)Nc2ccc(OC(F)F)c(Cl)c2)CC1 ZINC000177100660 655268600 /nfs/dbraw/zinc/26/86/00/655268600.db2.gz ANXLWMNWXALVQB-LBPRGKRZSA-N 1 0 377.819 2.862 20 0 GFADRO C[NH+](C)C1CCN(CCNC(=O)CCc2cccc(Br)c2)CC1 ZINC000177126105 655269606 /nfs/dbraw/zinc/26/96/06/655269606.db2.gz GZRHNTULQCUMQT-UHFFFAOYSA-N 1 0 382.346 2.524 20 0 GFADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)Nc1ccc(OC)cc1Br ZINC000118019090 655271179 /nfs/dbraw/zinc/27/11/79/655271179.db2.gz XMEXEEQXTGEEKW-LBPRGKRZSA-N 1 0 386.290 2.690 20 0 GFADRO C[N@H+](CCNC(=O)C(=O)Nc1ccc(F)cc1Br)C1CCCC1 ZINC000118132237 655272393 /nfs/dbraw/zinc/27/23/93/655272393.db2.gz DQNZUJAEOHVZHV-UHFFFAOYSA-N 1 0 386.265 2.517 20 0 GFADRO CCS(=O)(=O)CCCCC[NH2+][C@@H](CO)c1ccc(Br)cc1 ZINC000276419061 655275058 /nfs/dbraw/zinc/27/50/58/655275058.db2.gz NNWRQWGIOZCSIN-HNNXBMFYSA-N 1 0 378.332 2.677 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)c2ccc(S(=O)(=O)C(F)(F)F)cc2)C1 ZINC000177519130 655279103 /nfs/dbraw/zinc/27/91/03/655279103.db2.gz GDNPTCAVPUWUFF-CHWSQXEVSA-N 1 0 378.416 2.583 20 0 GFADRO C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)NCCC[NH+]1CCC(O)CC1 ZINC000118722590 655281187 /nfs/dbraw/zinc/28/11/87/655281187.db2.gz FJRXDPZNXSUNTL-GFCCVEGCSA-N 1 0 375.296 2.724 20 0 GFADRO CCC(CC)(CC)[NH2+]CC(=O)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 ZINC000118980987 655285437 /nfs/dbraw/zinc/28/54/37/655285437.db2.gz NOLBHNZSCZPWNO-OAHLLOKOSA-N 1 0 386.583 2.822 20 0 GFADRO Brc1cc2c(cc1C[N@@H+]1CCC[C@H](Cn3ccnn3)C1)OCO2 ZINC000118992428 655286036 /nfs/dbraw/zinc/28/60/36/655286036.db2.gz YXXMPHBACFNDAB-LBPRGKRZSA-N 1 0 379.258 2.682 20 0 GFADRO C[C@H](C[C@@H]1CCCCCN1C(=O)OC(C)(C)C)[NH2+][C@@H](C)CS(C)(=O)=O ZINC000177781454 655288580 /nfs/dbraw/zinc/28/85/80/655288580.db2.gz DIKWOBLUPDWQBF-PMPSAXMXSA-N 1 0 376.563 2.967 20 0 GFADRO COc1cc(Cl)c(Cl)cc1NC(=O)N1CCC([N@H+](C)CCO)CC1 ZINC000276849097 655290146 /nfs/dbraw/zinc/29/01/46/655290146.db2.gz ZXVHGUKEJQFLPA-UHFFFAOYSA-N 1 0 376.284 2.922 20 0 GFADRO O=C(Cc1cccc(I)c1)NC1CC[NH+](CC2CC2)CC1 ZINC000177960709 655292727 /nfs/dbraw/zinc/29/27/27/655292727.db2.gz ZOORKDUEUVHLQE-UHFFFAOYSA-N 1 0 398.288 2.824 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000178005927 655295073 /nfs/dbraw/zinc/29/50/73/655295073.db2.gz ZXYYPMRMPBZRGM-KBPBESRZSA-N 1 0 382.302 2.685 20 0 GFADRO CN(C(=O)c1cc(I)c(F)cc1F)C1CC[NH+](C)CC1 ZINC000119291173 655297330 /nfs/dbraw/zinc/29/73/30/655297330.db2.gz GANOLHJBGJJIRJ-UHFFFAOYSA-N 1 0 394.203 2.736 20 0 GFADRO C[NH+](C)[C@@H]1CCCN(S(=O)(=O)c2cc(Br)c(F)cc2F)CC1 ZINC000277020038 655298870 /nfs/dbraw/zinc/29/88/70/655298870.db2.gz MTIYRFUMGGBAMS-SNVBAGLBSA-N 1 0 397.285 2.832 20 0 GFADRO COc1cc(S(=O)(=O)N2CCC[C@H]([NH+](C)C)CC2)ccc1Br ZINC000277019844 655298921 /nfs/dbraw/zinc/29/89/21/655298921.db2.gz MRYQHVWEDASZRU-LBPRGKRZSA-N 1 0 391.331 2.563 20 0 GFADRO COC1CC[NH+](CCNC(=O)CSc2cccc(Br)c2)CC1 ZINC000119357419 655300461 /nfs/dbraw/zinc/30/04/61/655300461.db2.gz VSCAKYAJGKYOFG-UHFFFAOYSA-N 1 0 387.343 2.768 20 0 GFADRO O=C(NCC[N@@H+]1CCCOCC1)Nc1cc2ccccc2nc1Br ZINC000277067155 655301344 /nfs/dbraw/zinc/30/13/44/655301344.db2.gz KNJZZAPOUFPNLF-UHFFFAOYSA-N 1 0 393.285 2.841 20 0 GFADRO O=C(NCC1([NH+]2CCCCC2)CCOCC1)c1nc(Br)cs1 ZINC000119380751 655301770 /nfs/dbraw/zinc/30/17/70/655301770.db2.gz RJPKAMQGKCGPQO-UHFFFAOYSA-N 1 0 388.331 2.671 20 0 GFADRO C[NH+](C)[C@H]1CCCN(C(=O)Nc2cccc(S(=O)(=O)C(F)F)c2)CC1 ZINC000277072405 655301825 /nfs/dbraw/zinc/30/18/25/655301825.db2.gz IWWAXUALDSKDDK-ZDUSSCGKSA-N 1 0 375.441 2.631 20 0 GFADRO C[NH+](C)C1(CNC(=O)C(=O)Nc2cccc(Cl)c2Br)CCC1 ZINC000277083467 655302324 /nfs/dbraw/zinc/30/23/24/655302324.db2.gz YHZFSYZQYBJAGK-UHFFFAOYSA-N 1 0 388.693 2.642 20 0 GFADRO COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)N[C@@H](C)C1=CC[N@H+](C)CC1 ZINC000277083225 655302428 /nfs/dbraw/zinc/30/24/28/655302428.db2.gz YDWFVVHEKARSDH-JTQLQIEISA-N 1 0 386.279 2.707 20 0 GFADRO CCn1cc(Br)cc1C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000178740570 655308687 /nfs/dbraw/zinc/30/86/87/655308687.db2.gz LACRNGMALWQLNE-WBVHZDCISA-N 1 0 398.345 2.768 20 0 GFADRO C[C@@H](C[NH+]1CCCCC1)NC(=O)Cc1ccccc1I ZINC000119631853 655309093 /nfs/dbraw/zinc/30/90/93/655309093.db2.gz JKYZRCUCSTWEJK-ZDUSSCGKSA-N 1 0 386.277 2.824 20 0 GFADRO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CCN1CCOC(C)(C)C1 ZINC000178765056 655309568 /nfs/dbraw/zinc/30/95/68/655309568.db2.gz TVIXZLXZBISDAL-CQSZACIVSA-N 1 0 398.345 2.867 20 0 GFADRO Cc1c(Br)cc(C(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)c(=O)n1C ZINC000277339536 655313837 /nfs/dbraw/zinc/31/38/37/655313837.db2.gz FOZXLPUTRVCAQY-CQSZACIVSA-N 1 0 396.329 2.547 20 0 GFADRO CCS(=O)(=O)C[C@@H](C)[N@H+](C)CCC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000179675256 655315880 /nfs/dbraw/zinc/31/58/80/655315880.db2.gz MQVLMXYKLRMEPQ-OAHLLOKOSA-N 1 0 376.563 2.779 20 0 GFADRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(=O)Nc1ccc(Br)cc1 ZINC000119985608 655324059 /nfs/dbraw/zinc/32/40/59/655324059.db2.gz OLBQFUYEWXKNGR-HNNXBMFYSA-N 1 0 382.302 2.720 20 0 GFADRO CC[N@H+](CC(=O)NCc1noc(-c2cccc(Br)c2)n1)C1CC1 ZINC000279161717 655327229 /nfs/dbraw/zinc/32/72/29/655327229.db2.gz BNDMECVASGOLEX-UHFFFAOYSA-N 1 0 379.258 2.600 20 0 GFADRO Cc1nn(C)c(CNc2ccc(N3CC[C@@H]([NH+](C)C)C3)cn2)c1Br ZINC000279166148 655327410 /nfs/dbraw/zinc/32/74/10/655327410.db2.gz QFVGNPTUYMUIRU-CQSZACIVSA-N 1 0 393.333 2.638 20 0 GFADRO CC[C@@H]([NH2+][C@@H](C)C(=O)NC(C)(C)C)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000280765129 655330849 /nfs/dbraw/zinc/33/08/49/655330849.db2.gz FSXUFZAOBRBDDU-SMDDNHRTSA-N 1 0 389.949 2.592 20 0 GFADRO C[C@@H]1C[C@@H](NCc2nnc(-c3ccc(Br)cc3)[nH]2)C[N@@H+]1C1CC1 ZINC000120487488 655337003 /nfs/dbraw/zinc/33/70/03/655337003.db2.gz POXWPXGAOHGFQE-BXUZGUMPSA-N 1 0 376.302 2.949 20 0 GFADRO CC(C)CO[C@H]1C[C@H]([NH2+]CC2CCN(S(=O)(=O)C(F)F)CC2)C1(C)C ZINC000181953460 655341673 /nfs/dbraw/zinc/34/16/73/655341673.db2.gz YYYUVNLKGPMSSH-GJZGRUSLSA-N 1 0 382.517 2.680 20 0 GFADRO O[C@H](COc1ccc(Br)cc1)CN1CCC[C@H]([NH+]2CCCC2)C1 ZINC000120688751 655342377 /nfs/dbraw/zinc/34/23/77/655342377.db2.gz KNIURGFVNRHWOO-IRXDYDNUSA-N 1 0 383.330 2.749 20 0 GFADRO C[NH+](C)C[C@H]1CCN(CN2CC[C@@H](c3cccc(Br)c3)C2=O)C1 ZINC000840002090 661123001 /nfs/dbraw/zinc/12/30/01/661123001.db2.gz BCVPUUANVVDDBX-PBHICJAKSA-N 1 0 380.330 2.606 20 0 GFADRO C[C@H](O)c1ncc(C[NH2+]C[C@H](O)COc2cccc(C(F)(F)F)c2)s1 ZINC000289274465 655345242 /nfs/dbraw/zinc/34/52/42/655345242.db2.gz NVVIGUBSTJTESX-JQWIXIFHSA-N 1 0 376.400 2.745 20 0 GFADRO O=C(c1cnn(-c2ccc(Br)cc2)c1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000289315180 655346454 /nfs/dbraw/zinc/34/64/54/655346454.db2.gz UCGXPZXCYJWRFV-SFHVURJKSA-N 1 0 389.297 2.851 20 0 GFADRO C[N@H+](CCCOC(=O)NC(N)=O)CC1(c2ccc(Br)cc2)CC1 ZINC000121130591 655347900 /nfs/dbraw/zinc/34/79/00/655347900.db2.gz QQSHBMHLJITMOY-UHFFFAOYSA-N 1 0 384.274 2.608 20 0 GFADRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N(C)C[C@H]2CCC[N@H+](C)C2)c1 ZINC000183664568 655352767 /nfs/dbraw/zinc/35/27/67/655352767.db2.gz WOKNHBGIOCKLOP-LBPRGKRZSA-N 1 0 375.878 2.519 20 0 GFADRO COC(=O)[C@@H]1C[N@H+](Cc2cc(C(N)=O)cs2)C[C@H]1c1ccc(Cl)cc1 ZINC000292866940 655355651 /nfs/dbraw/zinc/35/56/51/655355651.db2.gz VWMOCECFKUUZSA-JKSUJKDBSA-N 1 0 378.881 2.889 20 0 GFADRO O=C1[C@H](c2cccc(Br)c2)CCN1C[N@@H+]1CC[C@]2(CCOC2)C1 ZINC000840027305 661125516 /nfs/dbraw/zinc/12/55/16/661125516.db2.gz YEHOVMBDTRDBJM-WMZOPIPTSA-N 1 0 379.298 2.835 20 0 GFADRO O=C(NCCCCC[NH+]1CCCC1)C(=O)Nc1ccccc1Br ZINC000293618384 655360048 /nfs/dbraw/zinc/36/00/48/655360048.db2.gz FVCJCDCMNCZGNV-UHFFFAOYSA-N 1 0 382.302 2.770 20 0 GFADRO Cc1cc(CC(C)(C)C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)ccc1Br ZINC000293777789 655361919 /nfs/dbraw/zinc/36/19/19/655361919.db2.gz QADTYYNHXXWFNY-MRXNPFEDSA-N 1 0 396.373 2.688 20 0 GFADRO C[N@@H+]1CCC[C@]2(CCN(C(=O)c3c[nH]c4ncc(Br)cc34)C2)C1 ZINC000293913791 655362607 /nfs/dbraw/zinc/36/26/07/655362607.db2.gz HZGZFYQPFCWSJJ-KRWDZBQOSA-N 1 0 377.286 2.883 20 0 GFADRO CCOC(=O)N1CC[C@H]([NH2+]Cc2cc(Br)c3c(c2)OCCCO3)C1 ZINC000185770449 655366336 /nfs/dbraw/zinc/36/63/36/655366336.db2.gz PAFHBNWXJUMEAD-ZDUSSCGKSA-N 1 0 399.285 2.931 20 0 GFADRO CCN(Cc1ccc(C[NH+](C)C)cc1)S(=O)(=O)CCc1scnc1C ZINC000295633842 655366956 /nfs/dbraw/zinc/36/69/56/655366956.db2.gz GBTZKPLCDQHOQV-UHFFFAOYSA-N 1 0 381.567 2.908 20 0 GFADRO CCCC[C@H](CNC(=O)OC(C)(C)C)[NH2+][C@@H](C)C1CCS(=O)(=O)CC1 ZINC000187300829 655373372 /nfs/dbraw/zinc/37/33/72/655373372.db2.gz SRLKMJKLSCSYHM-GOEBONIOSA-N 1 0 376.563 2.873 20 0 GFADRO CCN(CC)S(=O)(=O)c1ccc(C[NH2+]Cc2cnc(N(C)C)s2)cc1 ZINC000298748000 655374150 /nfs/dbraw/zinc/37/41/50/655374150.db2.gz JFMHNXNEUAZWBH-UHFFFAOYSA-N 1 0 382.555 2.529 20 0 GFADRO CC[N@@H+]1CC[C@H]2OCCN(Cn3ncc4c3cccc4Br)[C@H]2C1 ZINC000840083588 661130023 /nfs/dbraw/zinc/13/00/23/661130023.db2.gz JOQVGWPZZGUUNZ-DLBZAZTESA-N 1 0 379.302 2.551 20 0 GFADRO Cc1csc([C@@](O)(CC(=O)NCC[N@H+]2CCCC[C@H]2C)C(F)(F)F)n1 ZINC000299384084 655375398 /nfs/dbraw/zinc/37/53/98/655375398.db2.gz OEUVFNXNDHSNKR-DOMZBBRYSA-N 1 0 379.448 2.582 20 0 GFADRO CC(C)OCCOC[C@H](O)C[N@H+](C)Cc1cc(Br)ccc1F ZINC000299457594 655376314 /nfs/dbraw/zinc/37/63/14/655376314.db2.gz YDVPAXYNRXTMKJ-OAHLLOKOSA-N 1 0 378.282 2.823 20 0 GFADRO CC[NH+]1CCN(CCC(=O)N(Cc2cccc(Br)c2)C2CC2)CC1 ZINC000299614689 655377235 /nfs/dbraw/zinc/37/72/35/655377235.db2.gz IKLIFTKPAFQSOO-UHFFFAOYSA-N 1 0 394.357 2.968 20 0 GFADRO Cc1ccc(Br)nc1C(=O)NCCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000188277454 655379064 /nfs/dbraw/zinc/37/90/64/655379064.db2.gz VABBZMUZCIVKLP-ZIAGYGMSSA-N 1 0 384.318 2.772 20 0 GFADRO Cc1ccc(Br)nc1C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000188435248 655379833 /nfs/dbraw/zinc/37/98/33/655379833.db2.gz MQZRWNFTBFWYTJ-CABCVRRESA-N 1 0 396.329 2.650 20 0 GFADRO Cc1nn(-c2cccc(Cl)c2)c(Cl)c1CN1CC[NH+](C[C@@H](C)O)CC1 ZINC000188735444 655381532 /nfs/dbraw/zinc/38/15/32/655381532.db2.gz IDZSBAHYZDJUFO-CYBMUJFWSA-N 1 0 383.323 2.986 20 0 GFADRO CC(C)[C@H]([NH3+])C(=O)NCC(=O)Nc1ccc2cc(Br)ccc2c1 ZINC000322056707 655382906 /nfs/dbraw/zinc/38/29/06/655382906.db2.gz OJVSBFRQYYIXCU-INIZCTEOSA-N 1 0 378.270 2.640 20 0 GFADRO C[C@@H]1CN(Cn2ncc3c2cccc3Br)CC[N@@H+]1CC(C)(C)O ZINC000188973547 655383591 /nfs/dbraw/zinc/38/35/91/655383591.db2.gz RXKOBQPUEPMFPJ-CYBMUJFWSA-N 1 0 381.318 2.533 20 0 GFADRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NCC[NH+]1CCC(C)CC1 ZINC000325182710 655384532 /nfs/dbraw/zinc/38/45/32/655384532.db2.gz DJFMLEHMCLDWMO-UHFFFAOYSA-N 1 0 375.878 2.567 20 0 GFADRO O=C(Nc1ccc(N2CCCC2=O)c(Cl)c1)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000327331665 655386047 /nfs/dbraw/zinc/38/60/47/655386047.db2.gz BKEJFEWXAMSDMD-OAHLLOKOSA-N 1 0 375.778 2.947 20 0 GFADRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000327380455 655386190 /nfs/dbraw/zinc/38/61/90/655386190.db2.gz OEKANNVLNOMHMG-ZDUSSCGKSA-N 1 0 387.889 2.806 20 0 GFADRO CCSc1ccccc1OS(=O)(=O)c1c(C)nn(CC[NH+](C)C)c1C ZINC000189625962 655387143 /nfs/dbraw/zinc/38/71/43/655387143.db2.gz OWKFAEKIRCHTPI-UHFFFAOYSA-N 1 0 383.539 2.941 20 0 GFADRO O=C1N[C@H](c2ccc(Br)cc2)C(=O)N1[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000349233846 655388723 /nfs/dbraw/zinc/38/87/23/655388723.db2.gz JJQLQTCHLUGCMC-RBSFLKMASA-N 1 0 378.270 2.669 20 0 GFADRO C[C@@H](c1cccc(Br)c1)N1CC(=O)N(CC[N@H+](C)C2CC2)C1=O ZINC000349314453 655389345 /nfs/dbraw/zinc/38/93/45/655389345.db2.gz DPUMTFWAXQKDTM-LBPRGKRZSA-N 1 0 380.286 2.869 20 0 GFADRO C[C@@H](CN1C(=O)[C@@H](c2cccc(Br)c2)N(C)C1=O)[N@H+](C)C1CC1 ZINC000349379391 655389772 /nfs/dbraw/zinc/38/97/72/655389772.db2.gz WXZACZYYYSAJHT-XHDPSFHLSA-N 1 0 380.286 2.867 20 0 GFADRO CCn1c(SCC(=O)N2CCC[N@H+](CC)CC2)nnc1-c1cccs1 ZINC000363206972 655391512 /nfs/dbraw/zinc/39/15/12/655391512.db2.gz UOIODHIDNBDKRX-UHFFFAOYSA-N 1 0 379.555 2.673 20 0 GFADRO Brc1cnc(CN2CC[C@]3(CCC[NH2+]3)C2)c(Br)c1 ZINC000415134077 655403530 /nfs/dbraw/zinc/40/35/30/655403530.db2.gz DLBBWNKJDWFBPY-CYBMUJFWSA-N 1 0 375.108 2.935 20 0 GFADRO CC[NH2+]CCNC(=O)N(Cc1cccc(Br)c1)C1CCOCC1 ZINC000418330198 655405568 /nfs/dbraw/zinc/40/55/68/655405568.db2.gz VIEHLRFNRBROAX-UHFFFAOYSA-N 1 0 384.318 2.749 20 0 GFADRO CN1CCO[C@H]([C@H](NC(=O)c2cnc(Cl)cn2)c2ccc(Cl)cc2)C1 ZINC000192843293 655407092 /nfs/dbraw/zinc/40/70/92/655407092.db2.gz ACSMDZNVWWEWNR-GOEBONIOSA-N 1 0 381.263 2.585 20 0 GFADRO O=C(NCC[C@H]1CCC[NH2+]1)C(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000419940108 655407393 /nfs/dbraw/zinc/40/73/93/655407393.db2.gz STQFQWFETBEABO-CZUORRHYSA-N 1 0 384.307 2.915 20 0 GFADRO O=c1c(Br)nn(C[N@H+]2CCC[C@@H]2[C@H]2CCC[C@H]2O)c2ccccc12 ZINC000840118274 661135523 /nfs/dbraw/zinc/13/55/23/661135523.db2.gz CXGPKEJKRKQHQU-XNRPHZJLSA-N 1 0 392.297 2.742 20 0 GFADRO Cn1cc(NC(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc(Br)c1=O ZINC000553187729 655422215 /nfs/dbraw/zinc/42/22/15/655422215.db2.gz KTWBCWGLFKUZRR-CQSZACIVSA-N 1 0 390.281 2.608 20 0 GFADRO COc1ccc(S(=O)(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c(Cl)c1 ZINC000554703166 655423091 /nfs/dbraw/zinc/42/30/91/655423091.db2.gz NIIYKKDFNPGXLN-DYVFJYSZSA-N 1 0 384.929 2.986 20 0 GFADRO O[C@@H](C[NH2+]C[C@H]1CSCCS1)COc1ccc(Br)cc1 ZINC000229600400 655423414 /nfs/dbraw/zinc/42/34/14/655423414.db2.gz RXFWIAPLJGYCSY-JSGCOSHPSA-N 1 0 378.357 2.627 20 0 GFADRO C[C@@H](NC(=O)N(C)CC[C@H]1CCCC[N@@H+]1C)c1ncc(Br)cn1 ZINC000562670505 655423738 /nfs/dbraw/zinc/42/37/38/655423738.db2.gz BWORJFGRMHEYMV-TZMCWYRMSA-N 1 0 384.322 2.816 20 0 GFADRO CC(C)C[C@](C)(C[NH3+])NC(=O)[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000236695682 655424796 /nfs/dbraw/zinc/42/47/96/655424796.db2.gz MJOAEHGTKADVSR-MAUKXSAKSA-N 1 0 396.329 2.682 20 0 GFADRO CCCN(C1CC[NH2+]CC1)S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1C ZINC000236873289 655425153 /nfs/dbraw/zinc/42/51/53/655425153.db2.gz MIUVHTAXZTUNTO-UHFFFAOYSA-N 1 0 375.878 2.709 20 0 GFADRO CCOc1c(Br)cc(C[NH2+][C@H](C)CN2CCOCC2)cc1OC ZINC000237036443 655425511 /nfs/dbraw/zinc/42/55/11/655425511.db2.gz PWQCXFYBDZCFOQ-CYBMUJFWSA-N 1 0 387.318 2.667 20 0 GFADRO C[C@@H](C[N@@H+]1CCC[C@H](CS(N)(=O)=O)C1)c1cccc(Br)c1 ZINC000574183181 655425983 /nfs/dbraw/zinc/42/59/83/655425983.db2.gz RJMCUFJAIFTBIR-STQMWFEESA-N 1 0 375.332 2.553 20 0 GFADRO COC(=O)C[C@@H](NC(=O)[C@@H]1CCC[C@@H]([NH3+])C1)c1ccc(Br)cc1 ZINC000237210024 655425982 /nfs/dbraw/zinc/42/59/82/655425982.db2.gz DXTCYGXLLNYFEV-BPLDGKMQSA-N 1 0 383.286 2.687 20 0 GFADRO COc1ncc([C@@H](C)[NH2+]CCNS(=O)(=O)c2ccc(C)s2)cc1Cl ZINC000574223516 655426632 /nfs/dbraw/zinc/42/66/32/655426632.db2.gz FFTJYVKLSGYFRY-LLVKDONJSA-N 1 0 389.930 2.743 20 0 GFADRO O=S(=O)(c1ccc(F)c(C(F)(F)F)c1)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000574277661 655427822 /nfs/dbraw/zinc/42/78/22/655427822.db2.gz YOFVLTPBDLXJQU-NEPJUHHUSA-N 1 0 380.407 2.855 20 0 GFADRO C[C@H]1CCN(c2ncnc3cccc(I)c32)C[C@H]1C[NH3+] ZINC000574300021 655428437 /nfs/dbraw/zinc/42/84/37/655428437.db2.gz DKXGAFCGDFFAII-WDEREUQCSA-N 1 0 382.249 2.656 20 0 GFADRO C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1NC(=O)c1ccc(I)c(F)c1 ZINC000575116127 655435976 /nfs/dbraw/zinc/43/59/76/655435976.db2.gz KDHKUXIFRUAPBJ-VYUIOLGVSA-N 1 0 376.213 2.547 20 0 GFADRO CC(C)N(Cc1cccc(Br)c1)C(=O)C(=O)N(C)CCC[NH+](C)C ZINC000575147492 655436216 /nfs/dbraw/zinc/43/62/16/655436216.db2.gz HUECFWCUDCVNQZ-UHFFFAOYSA-N 1 0 398.345 2.596 20 0 GFADRO CC(C)(C(=O)N1C[C@@H](C[NH3+])C2(C1)CCOCC2)c1cccc(Br)c1 ZINC000575179666 655436821 /nfs/dbraw/zinc/43/68/21/655436821.db2.gz GZYAHMJBMMSEIN-OAHLLOKOSA-N 1 0 395.341 2.941 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)/C=C\c2ccc(I)o2)C1 ZINC000255367140 655438516 /nfs/dbraw/zinc/43/85/16/655438516.db2.gz QKHIRODIQWNDMT-ONCZFSCLSA-N 1 0 388.249 2.886 20 0 GFADRO COC[C@H](C)OC[C@@H](O)C[NH2+][C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1 ZINC000575862521 655438767 /nfs/dbraw/zinc/43/87/67/655438767.db2.gz AQQSJKARMHMMIQ-YDHLFZDLSA-N 1 0 377.312 2.574 20 0 GFADRO CCCN1C[C@H](C[NH2+]CCC(=O)Nc2ccc(Br)cc2)CC1=O ZINC000575982043 655441369 /nfs/dbraw/zinc/44/13/69/655441369.db2.gz DLUKVAKFBJNYHH-ZDUSSCGKSA-N 1 0 382.302 2.626 20 0 GFADRO O=C(NC[C@H]1CCCN(Cc2c(F)cccc2Br)C1)[C@@H]1CCC[NH2+]1 ZINC000261931935 655443048 /nfs/dbraw/zinc/44/30/48/655443048.db2.gz LQAMIZNTLOSLKX-DYVFJYSZSA-N 1 0 398.320 2.668 20 0 GFADRO Brc1cc(CN2CC[NH2+]C[C@@H]2c2ccncc2)cc2c1OCO2 ZINC000262038064 655443580 /nfs/dbraw/zinc/44/35/80/655443580.db2.gz OUPUWRYVBMKCJH-OAHLLOKOSA-N 1 0 376.254 2.719 20 0 GFADRO [NH3+]C[C@H]1CCN(C(=O)c2cc(I)cc(C(F)(F)F)c2)C1 ZINC000262536929 655446047 /nfs/dbraw/zinc/44/60/47/655446047.db2.gz PBVNICZIUXGJLC-MRVPVSSYSA-N 1 0 398.166 2.731 20 0 GFADRO CC(C)C[C@H](C[NH3+])NC(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1 ZINC000576576923 655449289 /nfs/dbraw/zinc/44/92/89/655449289.db2.gz NZSXDUQQFHHBHS-OAHLLOKOSA-N 1 0 386.945 2.916 20 0 GFADRO CC(C)(CO)[C@@H]([NH2+]Cc1cc(Cl)cc(S(N)(=O)=O)c1)c1cccs1 ZINC000576588304 655449587 /nfs/dbraw/zinc/44/95/87/655449587.db2.gz SEOQAOJNOJSTLJ-HNNXBMFYSA-N 1 0 388.942 2.898 20 0 GFADRO COc1ccc(CNC(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1Br ZINC000576687216 655450700 /nfs/dbraw/zinc/45/07/00/655450700.db2.gz COVJAEKUAIXIML-OKILXGFUSA-N 1 0 382.302 2.599 20 0 GFADRO CC[NH+]1CCN(CCC(=O)Nc2c(O)cc(Br)cc2Cl)CC1 ZINC000576875053 655453632 /nfs/dbraw/zinc/45/36/32/655453632.db2.gz BNLUDPXMUCSYOR-UHFFFAOYSA-N 1 0 390.709 2.774 20 0 GFADRO C[N@@H+]1CCCN(C(=O)C2(c3ccc(Br)cc3)CCOCC2)CC1 ZINC000264036381 655456377 /nfs/dbraw/zinc/45/63/77/655456377.db2.gz ARIRDBFLCWZDOO-UHFFFAOYSA-N 1 0 381.314 2.661 20 0 GFADRO COC(=O)CSCCC(=O)Nc1cccc(C[NH+]2CCSCC2)c1C ZINC000264174030 655458457 /nfs/dbraw/zinc/45/84/57/655458457.db2.gz WFYMZLFTVJMOFY-UHFFFAOYSA-N 1 0 382.551 2.779 20 0 GFADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl ZINC000264436728 655463629 /nfs/dbraw/zinc/46/36/29/655463629.db2.gz BIONYACTEYXWRA-YCPHGPKFSA-N 1 0 384.307 2.553 20 0 GFADRO CCc1nn(C)c(CC)c1C[NH2+]C[C@@H](O)COc1ccc(Br)cc1 ZINC000577741601 655466294 /nfs/dbraw/zinc/46/62/94/655466294.db2.gz RGUVPDXUYPOVLH-CQSZACIVSA-N 1 0 396.329 2.837 20 0 GFADRO COC(=O)[C@@]1(C)CCC[N@H+](Cn2ccc(=O)c3cccc(Br)c32)C1 ZINC000840184528 661144919 /nfs/dbraw/zinc/14/49/19/661144919.db2.gz LMOWZFZUODJWCY-SFHVURJKSA-N 1 0 393.281 2.997 20 0 GFADRO O=C(C[C@H]1Sc2ccc(Cl)cc2NC1=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000264593440 655466784 /nfs/dbraw/zinc/46/67/84/655466784.db2.gz AVGLCMMXOAHZFT-BDJLRTHQSA-N 1 0 379.913 2.743 20 0 GFADRO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)c1ccn(-c2cccc(Br)c2)n1 ZINC000264598350 655466805 /nfs/dbraw/zinc/46/68/05/655466805.db2.gz BYBREJVCDDUEHG-CYBMUJFWSA-N 1 0 389.297 2.849 20 0 GFADRO CS[C@@H]1CN(C(=O)Nc2cc(-c3cccc(Cl)c3)on2)C[C@@H]1[NH+](C)C ZINC000577807525 655467483 /nfs/dbraw/zinc/46/74/83/655467483.db2.gz XJMMUZFNVHZHEK-DZGCQCFKSA-N 1 0 380.901 3.504 20 0 GFADRO O[C@@H](C[NH2+]CCc1ccc(Br)cc1)COc1ccc2c(c1)OCO2 ZINC000577842334 655468210 /nfs/dbraw/zinc/46/82/10/655468210.db2.gz RNPCUYVVPMBPRF-HNNXBMFYSA-N 1 0 394.265 2.750 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@H](NS(=O)(=O)c2c(F)cccc2OC(F)(F)F)C1 ZINC000577847851 655468359 /nfs/dbraw/zinc/46/83/59/655468359.db2.gz LEMZZMNXVJRDKF-WDEREUQCSA-N 1 0 384.395 2.875 20 0 GFADRO Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000264726952 655469246 /nfs/dbraw/zinc/46/92/46/655469246.db2.gz IFPSSJFJORHZNI-OAHLLOKOSA-N 1 0 378.929 2.748 20 0 GFADRO CC[N@H+](C)C[C@@H](O)Cn1nc(-c2ccc(Br)cc2Cl)nc1C ZINC000578026334 655471585 /nfs/dbraw/zinc/47/15/85/655471585.db2.gz PSBSGYCEPCPNLW-GFCCVEGCSA-N 1 0 387.709 2.982 20 0 GFADRO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)Nc2nc(C(F)(F)F)cs2)CC1 ZINC000264842528 655471876 /nfs/dbraw/zinc/47/18/76/655471876.db2.gz WJAVVHNOWSYNLM-JTQLQIEISA-N 1 0 380.436 2.718 20 0 GFADRO CC[NH+]1CCC(CNC(=O)N2CCN(Cc3ccc(Cl)s3)CC2)CC1 ZINC000578084983 655472374 /nfs/dbraw/zinc/47/23/74/655472374.db2.gz AOOPOXZYOZYJKK-UHFFFAOYSA-N 1 0 384.977 2.961 20 0 GFADRO Cc1cc(CC(=O)Nc2cc(Br)ccc2N2CC[NH+](C)CC2)no1 ZINC000265023885 655476130 /nfs/dbraw/zinc/47/61/30/655476130.db2.gz DGZSODVGVWTSBY-UHFFFAOYSA-N 1 0 393.285 2.679 20 0 GFADRO O=S(=O)(Cc1ccccc1C(F)(F)F)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000578322930 655476711 /nfs/dbraw/zinc/47/67/11/655476711.db2.gz SNNVBZBYBXZDEX-KGLIPLIRSA-N 1 0 376.444 2.857 20 0 GFADRO Cc1cc(F)c(Br)cc1S(=O)(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000578322761 655476798 /nfs/dbraw/zinc/47/67/98/655476798.db2.gz JSDWOMBAKMVWIZ-TXEJJXNPSA-N 1 0 391.306 2.517 20 0 GFADRO C[C@H](CNC(=O)c1cc2cc(Br)ccc2o1)N1CC[NH+](C)CC1 ZINC000265148149 655478232 /nfs/dbraw/zinc/47/82/32/655478232.db2.gz XZWOPLGJLMAUSF-GFCCVEGCSA-N 1 0 380.286 2.561 20 0 GFADRO CC(C)(C)[C@@H](C[NH3+])NC(=O)CCC[S@@](=O)c1ccc(Br)cc1 ZINC000578497998 655480395 /nfs/dbraw/zinc/48/03/95/655480395.db2.gz WOWPTDQAMWTJAK-JLCFBVMHSA-N 1 0 389.359 2.827 20 0 GFADRO COc1ccc(C[N@H+](C)C[C@@H](O)COCCOC(C)C)cc1Br ZINC000265291309 655480392 /nfs/dbraw/zinc/48/03/92/655480392.db2.gz ZOKDXWLOABTULZ-OAHLLOKOSA-N 1 0 390.318 2.692 20 0 GFADRO C[NH+](C)CCOc1ccc(NC(=O)CSc2cccc[n+]2[O-])cc1Cl ZINC000265361150 655481993 /nfs/dbraw/zinc/48/19/93/655481993.db2.gz LXHRNBHTVVFBCM-UHFFFAOYSA-N 1 0 381.885 2.645 20 0 GFADRO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1cc(Cl)c(OC)c(Cl)c1 ZINC000265371016 655482098 /nfs/dbraw/zinc/48/20/98/655482098.db2.gz HVTZQKMXMYYGJJ-SNVBAGLBSA-N 1 0 376.284 2.787 20 0 GFADRO O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)c1ccc(Br)cc1F ZINC000265588404 655486562 /nfs/dbraw/zinc/48/65/62/655486562.db2.gz XSYARHZBLFOLIV-GFCCVEGCSA-N 1 0 385.277 2.819 20 0 GFADRO CC[NH+](CC)[C@@H]1CCN(S(=O)(=O)Cc2ccccc2Br)C1 ZINC000578984267 655490819 /nfs/dbraw/zinc/49/08/19/655490819.db2.gz IGBUGCCUWUCCFI-CQSZACIVSA-N 1 0 375.332 2.695 20 0 GFADRO Cc1cc(C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)cc(Cl)c1Br ZINC000579003791 655491431 /nfs/dbraw/zinc/49/14/31/655491431.db2.gz QZGYCTFSVZXDQG-ZDUSSCGKSA-N 1 0 386.721 2.531 20 0 GFADRO CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000579076290 655493125 /nfs/dbraw/zinc/49/31/25/655493125.db2.gz JVTHELMPDUJJME-CVEARBPZSA-N 1 0 394.313 2.545 20 0 GFADRO C[NH2+][C@@H](C)Cc1noc(-c2cc(I)c(F)cc2F)n1 ZINC000579110133 655494102 /nfs/dbraw/zinc/49/41/02/655494102.db2.gz SVQZDIYBSWYKDF-LURJTMIESA-N 1 0 379.148 2.770 20 0 GFADRO Cc1ccc(Br)cc1C(=O)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000266006632 655494885 /nfs/dbraw/zinc/49/48/85/655494885.db2.gz GITLRUXNKVWWCJ-UHFFFAOYSA-N 1 0 380.330 2.611 20 0 GFADRO CC1CC[NH+](CCNC(=O)N(C)C[C@@H](O)c2cccc(Br)c2)CC1 ZINC000840253383 661149829 /nfs/dbraw/zinc/14/98/29/661149829.db2.gz MNSVMPNKKXFYLJ-QGZVFWFLSA-N 1 0 398.345 2.856 20 0 GFADRO C[C@H]1C[C@@H](C(=O)NC2(c3cccc(Br)c3)CCOCC2)CC[NH2+]1 ZINC000579241360 655496540 /nfs/dbraw/zinc/49/65/40/655496540.db2.gz QFBVIPYNDUXIGZ-KBPBESRZSA-N 1 0 381.314 2.959 20 0 GFADRO O=C(c1cc(=O)[nH]c2c(Br)cccc12)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000579247009 655496730 /nfs/dbraw/zinc/49/67/30/655496730.db2.gz RNXJDKBFIWPXGY-GOSISDBHSA-N 1 0 390.281 2.919 20 0 GFADRO C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1NC(=O)c1cnc(Sc2nccn2C)c(Cl)c1 ZINC000579359459 655498400 /nfs/dbraw/zinc/49/84/00/655498400.db2.gz NJUIWCQVHHUTIS-UHIISALHSA-N 1 0 379.917 2.736 20 0 GFADRO OC[C@H]([NH2+]C1CCN(Cc2ccccc2Br)CC1)C1CCOCC1 ZINC000579396828 655498902 /nfs/dbraw/zinc/49/89/02/655498902.db2.gz PGWUKLPEJUBYJS-IBGZPJMESA-N 1 0 397.357 2.791 20 0 GFADRO CNC(=O)c1ccc(Cl)c(NC(=O)NCC2(SC)CC[NH+](C)CC2)c1 ZINC000579411967 655499189 /nfs/dbraw/zinc/49/91/89/655499189.db2.gz FKULVAKCDLBMRT-UHFFFAOYSA-N 1 0 384.933 2.649 20 0 GFADRO Cc1ccc(C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)c(Br)c1 ZINC000579459776 655500054 /nfs/dbraw/zinc/50/00/54/655500054.db2.gz NDOHATVCYAFOJH-UHFFFAOYSA-N 1 0 377.286 3.473 20 0 GFADRO CCc1cccc(C[NH2+]Cc2ccc(S(=O)(=O)N3CCOCC3)s2)c1 ZINC000579482190 655500173 /nfs/dbraw/zinc/50/01/73/655500173.db2.gz KLJFAZQALOTOPS-UHFFFAOYSA-N 1 0 380.535 2.621 20 0 GFADRO [NH3+][C@H]1CCCO[C@H]1C1CCN(C(=O)COc2cccc(Br)c2)CC1 ZINC000579700676 655502694 /nfs/dbraw/zinc/50/26/94/655502694.db2.gz XOBRXMMYSAYRJU-WMZOPIPTSA-N 1 0 397.313 2.573 20 0 GFADRO C[NH2+]C[C@H]1CCN(C(=O)c2c(C)nn(-c3ccc(Br)cc3)c2C)C1 ZINC000579712289 655502917 /nfs/dbraw/zinc/50/29/17/655502917.db2.gz NHPCESDCRCLGBH-CQSZACIVSA-N 1 0 391.313 2.933 20 0 GFADRO CC(C)(C)C[C@@H](O)C[NH2+]C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000579833475 655504489 /nfs/dbraw/zinc/50/44/89/655504489.db2.gz CKSVTELWBPHZFK-KGLIPLIRSA-N 1 0 378.282 2.715 20 0 GFADRO [NH3+][C@H]1CCC[C@@H](CNS(=O)(=O)c2ccc(Cl)c(Br)c2)C1 ZINC000579832450 655504545 /nfs/dbraw/zinc/50/45/45/655504545.db2.gz DCCLWLXWWLIWPV-ZJUUUORDSA-N 1 0 381.723 2.898 20 0 GFADRO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)C[NH2+][C@@H]1C[C@@H](O)C12CCC2 ZINC000595784332 655512909 /nfs/dbraw/zinc/51/29/09/655512909.db2.gz UTRDCKNGSQEGQG-CHWSQXEVSA-N 1 0 387.263 2.612 20 0 GFADRO CO[C@](C)(C[NH2+]Cc1cc(Br)nn1C)COCc1ccccc1 ZINC000702785074 655521853 /nfs/dbraw/zinc/52/18/53/655521853.db2.gz ATPSPFFYBXDEOV-QGZVFWFLSA-N 1 0 382.302 2.894 20 0 GFADRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)c1cnn(C)c1Br ZINC000708775510 655522283 /nfs/dbraw/zinc/52/22/83/655522283.db2.gz XGTSPTPWBVIAKX-DZGCQCFKSA-N 1 0 391.313 2.681 20 0 GFADRO Brc1ccccc1-c1nnc(C[N@@H+]2CC[C@H](C3OCCO3)C2)o1 ZINC000719058153 655524228 /nfs/dbraw/zinc/52/42/28/655524228.db2.gz MLNKWQPNGNFIHV-NSHDSACASA-N 1 0 380.242 2.694 20 0 GFADRO CC(C)(C[NH2+][C@@H]1CCCC[C@H]1CNC(=O)OC(C)(C)C)CS(C)(=O)=O ZINC000723848557 655525580 /nfs/dbraw/zinc/52/55/80/655525580.db2.gz WWJTURPPGKKODZ-LSDHHAIUSA-N 1 0 376.563 2.730 20 0 GFADRO Cc1ccc(/C=C\C(=O)NC[C@H](C)N2CC[NH+](C)CC2)c(Br)c1 ZINC000726985465 655540436 /nfs/dbraw/zinc/54/04/36/655540436.db2.gz NAXWNSCVFBDTCJ-XHPSBEMXSA-N 1 0 380.330 2.523 20 0 GFADRO C[NH+](C)CC(C)(C)CNC(=S)NCCNc1ccc(C(F)(F)F)cn1 ZINC000727074523 655541396 /nfs/dbraw/zinc/54/13/96/655541396.db2.gz YUUMSSNVTXDWOQ-UHFFFAOYSA-N 1 0 377.480 2.564 20 0 GFADRO CCc1cc[n+](C(C(=O)c2cc(C)sc2C)C(=S)NCC(N)=O)cc1 ZINC000727161051 655542407 /nfs/dbraw/zinc/54/24/07/655542407.db2.gz IGWILXNUCFMCHH-UHFFFAOYSA-O 1 0 376.527 2.501 20 0 GFADRO O=S(=O)(/C=C/c1ccc(Br)cc1)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000727452800 655545640 /nfs/dbraw/zinc/54/56/40/655545640.db2.gz OZVHUEKBIAWSAE-NKRQLWMJSA-N 1 0 385.327 2.966 20 0 GFADRO O=S(=O)(/C=C\c1ccc(Br)cc1)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000727452798 655545672 /nfs/dbraw/zinc/54/56/72/655545672.db2.gz OZVHUEKBIAWSAE-GXIIQHASSA-N 1 0 385.327 2.966 20 0 GFADRO COCC[N@@H+]1CCC[C@H]1CNC(=S)Nc1ccc(OC(F)(F)F)cc1 ZINC000727703092 655548757 /nfs/dbraw/zinc/54/87/57/655548757.db2.gz KUGDJHMMUXJXGK-ZDUSSCGKSA-N 1 0 377.432 2.982 20 0 GFADRO C[C@](O)(C[NH+]1CCN(c2ccc(Br)cn2)CC1)c1ccccc1 ZINC000727828613 655550023 /nfs/dbraw/zinc/55/00/23/655550023.db2.gz XSFWHXQAUTXJIG-SFHVURJKSA-N 1 0 376.298 2.874 20 0 GFADRO CCC[NH+](CCC)CCCNS(=O)(=O)c1c(Cl)nc2sccn21 ZINC000728587660 655557570 /nfs/dbraw/zinc/55/75/70/655557570.db2.gz CQFXKHTYFPKDKR-UHFFFAOYSA-N 1 0 378.951 2.840 20 0 GFADRO CC(C)[NH2+][C@@H]1CCCN(C(=O)c2cn(-c3ccccc3Br)nn2)C1 ZINC000728606509 655557666 /nfs/dbraw/zinc/55/76/66/655557666.db2.gz PDLTWYZVHJWSTO-CYBMUJFWSA-N 1 0 392.301 2.632 20 0 GFADRO O[C@H](C[NH+]1CCC(c2nnc3n2CCC3)CC1)c1ccc(Br)cc1 ZINC000728914102 655559782 /nfs/dbraw/zinc/55/97/82/655559782.db2.gz BFYNSXHUXGESPW-MRXNPFEDSA-N 1 0 391.313 2.900 20 0 GFADRO CN(C)C(=O)c1cccc(C[NH2+]C[C@H](O)c2ccc(Br)cc2)c1 ZINC000728943790 655560424 /nfs/dbraw/zinc/56/04/24/655560424.db2.gz YWBCIEJOIKLHEG-KRWDZBQOSA-N 1 0 377.282 2.974 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CNC(=S)NC[C@H](O)c1cccc(C(F)(F)F)c1 ZINC000730734756 655577496 /nfs/dbraw/zinc/57/74/96/655577496.db2.gz OVFXBGXEYVIIDW-CABCVRRESA-N 1 0 375.460 2.687 20 0 GFADRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNS(=O)(=O)c1c(Cl)nc2sccn21 ZINC000730814098 655578379 /nfs/dbraw/zinc/57/83/79/655578379.db2.gz HUEKXUVXPYCIAB-GHMZBOCLSA-N 1 0 376.935 2.590 20 0 GFADRO O=C(NCCc1ccc(Br)cc1F)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000731121676 655581890 /nfs/dbraw/zinc/58/18/90/655581890.db2.gz BQGUVQBEVMDJCC-OAHLLOKOSA-N 1 0 384.293 2.914 20 0 GFADRO O=C1CCCN1C[C@@H]1CCCC[N@H+]1C[C@@H](O)c1ccc(Br)cc1 ZINC000732212431 655592769 /nfs/dbraw/zinc/59/27/69/655592769.db2.gz YTJNCYXCXCZKQV-DLBZAZTESA-N 1 0 381.314 2.959 20 0 GFADRO CC(C)(C)c1nc(C[NH2+]CC2CCN(S(=O)(=O)C(F)F)CC2)cs1 ZINC000732985703 655605683 /nfs/dbraw/zinc/60/56/83/655605683.db2.gz OAPWTKYLPGOCKB-UHFFFAOYSA-N 1 0 381.514 2.795 20 0 GFADRO CC(C)[C@@H](C[NH+](C)C)NC(=O)c1ccc(-n2cc(Br)cn2)cc1 ZINC000733165132 655608556 /nfs/dbraw/zinc/60/85/56/655608556.db2.gz HIXJOMRRMKTBIO-MRXNPFEDSA-N 1 0 379.302 2.951 20 0 GFADRO COCC[N@@H+]1CCC[C@@H](NC(=O)Cc2ccc(Cl)cc2Br)C1 ZINC000733259505 655610932 /nfs/dbraw/zinc/61/09/32/655610932.db2.gz DWOCUJWOUVIFPT-CQSZACIVSA-N 1 0 389.721 2.872 20 0 GFADRO CC[C@H](C[NH+]1CCCC1)NC(=O)c1cn(-c2ccccc2Br)nn1 ZINC000736100717 655658969 /nfs/dbraw/zinc/65/89/69/655658969.db2.gz FJMWDRJVJFNOKC-CYBMUJFWSA-N 1 0 392.301 2.634 20 0 GFADRO S=c1n(CN2CCC[C@@H]2C[NH+]2CCCC2)nnn1-c1ccc(Cl)cc1 ZINC000738108885 655685479 /nfs/dbraw/zinc/68/54/79/655685479.db2.gz SZCUSMIXZOZRHB-MRXNPFEDSA-N 1 0 378.933 2.969 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2cc(C(=O)OC)ccc2Cl)C[C@H]1C ZINC000740893885 655700517 /nfs/dbraw/zinc/70/05/17/655700517.db2.gz FMJUEKVANTUSFZ-TZMCWYRMSA-N 1 0 388.917 2.620 20 0 GFADRO C[NH+](C)CCNC(=S)Nc1ccc(CCn2cc(Br)cn2)cc1 ZINC000741499861 655706406 /nfs/dbraw/zinc/70/64/06/655706406.db2.gz CZEGZNREFNCADM-UHFFFAOYSA-N 1 0 396.358 2.736 20 0 GFADRO C[NH+](C)CCCNC(=S)NCCOc1ncc(C(F)(F)F)cc1Cl ZINC000741495614 655706478 /nfs/dbraw/zinc/70/64/78/655706478.db2.gz CPKRNAGJBSMWIC-UHFFFAOYSA-N 1 0 384.855 2.548 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)Nc2cc3c(cc2Br)OCCO3)CC[N@@H+]1C ZINC000741752475 655707900 /nfs/dbraw/zinc/70/79/00/655707900.db2.gz STESYLXYZHPZMW-GHMZBOCLSA-N 1 0 384.274 2.825 20 0 GFADRO C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N1CCC12CC[NH+](C)CC2 ZINC000742184047 655711414 /nfs/dbraw/zinc/71/14/14/655711414.db2.gz NKCZJQBTUGJKNJ-GFCCVEGCSA-N 1 0 384.307 2.808 20 0 GFADRO O=S(=O)(/C=C\c1ccccc1Br)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000742274573 655713444 /nfs/dbraw/zinc/71/34/44/655713444.db2.gz DFSQSUKGGZBCBB-KJJQSCHISA-N 1 0 385.327 2.824 20 0 GFADRO O=S(=O)(C(F)F)N1CCC(C[NH2+]Cc2cc3cc(F)ccc3o2)CC1 ZINC000742370585 655717338 /nfs/dbraw/zinc/71/73/38/655717338.db2.gz CNIWOFGXILUSII-UHFFFAOYSA-N 1 0 376.400 2.926 20 0 GFADRO CCCCOCCC[NH2+]Cc1c(C)nn([C@H]2CCS(=O)(=O)C2)c1Cl ZINC000743538500 655729799 /nfs/dbraw/zinc/72/97/99/655729799.db2.gz MIMVRISHHHWFQX-AWEZNQCLSA-N 1 0 377.938 2.501 20 0 GFADRO CSc1nc2ccc(NC(=O)C(=O)N[C@H]3CC[N@H+](C)[C@@H](C)C3)cc2s1 ZINC000743930393 655732751 /nfs/dbraw/zinc/73/27/51/655732751.db2.gz FHLIZQHHCFNZST-JQWIXIFHSA-N 1 0 378.523 2.556 20 0 GFADRO CCC1(C[NH2+]Cc2c(C)nn([C@H]3CCS(=O)(=O)C3)c2Cl)CCOCC1 ZINC000744450279 655740317 /nfs/dbraw/zinc/74/03/17/655740317.db2.gz QIWBNVUXFHNKIL-AWEZNQCLSA-N 1 0 389.949 2.501 20 0 GFADRO C[C@@H]1CC[N@H+](CCNC(=O)C(=O)Nc2cccc(C3SCCS3)c2)C1 ZINC000746047032 655757803 /nfs/dbraw/zinc/75/78/03/655757803.db2.gz UXRZQWALUCQVQP-CYBMUJFWSA-N 1 0 379.551 2.562 20 0 GFADRO CC(C)Oc1cc(Br)cc(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c1 ZINC000746595468 655764382 /nfs/dbraw/zinc/76/43/82/655764382.db2.gz PLEMNWVMRDDLGU-NVXWUHKLSA-N 1 0 397.313 2.829 20 0 GFADRO CC(C)Oc1cc(Br)cc(C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)c1 ZINC000746595471 655764389 /nfs/dbraw/zinc/76/43/89/655764389.db2.gz PLEMNWVMRDDLGU-RDJZCZTQSA-N 1 0 397.313 2.829 20 0 GFADRO C[C@H]([NH2+]CC(C)(C)[C@@H]1COCC12OCCO2)c1ccc(Br)nc1 ZINC000840795225 661188874 /nfs/dbraw/zinc/18/88/74/661188874.db2.gz FEGGHBVBTIEKRK-JSGCOSHPSA-N 1 0 385.302 2.910 20 0 GFADRO C[C@H]1CCC[N@@H+]1CCNC(=O)c1cccc(F)c1I ZINC000749934941 655809153 /nfs/dbraw/zinc/80/91/53/655809153.db2.gz LFQWXYVPXDUBDH-JTQLQIEISA-N 1 0 376.213 2.644 20 0 GFADRO CC[NH+](CC)C[C@H](C)NC(=O)/C=C\c1ccc(I)o1 ZINC000749978140 655810135 /nfs/dbraw/zinc/81/01/35/655810135.db2.gz UTXMUZGGJPVVLI-DVBBHNHCSA-N 1 0 376.238 2.744 20 0 GFADRO CC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2cc3ccc(Cl)nc3cc2F)C1 ZINC000750167543 655812187 /nfs/dbraw/zinc/81/21/87/655812187.db2.gz HOIKWCJHPXHMCJ-LBPRGKRZSA-N 1 0 385.892 2.990 20 0 GFADRO O=C(COC(=O)[C@H]1CCCS1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000750903386 655818648 /nfs/dbraw/zinc/81/86/48/655818648.db2.gz MQCZDJCRAULQPS-MRXNPFEDSA-N 1 0 380.535 2.613 20 0 GFADRO C[NH+]1CCC(NC(=S)N2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)CC1 ZINC000840843688 661194879 /nfs/dbraw/zinc/19/48/79/661194879.db2.gz OGGWVEJNIZLJCU-AWEZNQCLSA-N 1 0 379.492 2.636 20 0 GFADRO CC(C)S(=O)(=O)CCC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000754311693 655866231 /nfs/dbraw/zinc/86/62/31/655866231.db2.gz HCLSGOCNYDMPND-JKSUJKDBSA-N 1 0 376.563 2.825 20 0 GFADRO O=C(C[NH2+][C@H](CCO)c1cccs1)NCCc1nc2ccccc2s1 ZINC000754387505 655867210 /nfs/dbraw/zinc/86/72/10/655867210.db2.gz VRQCZGDNIZJXAF-CYBMUJFWSA-N 1 0 375.519 2.730 20 0 GFADRO Cc1[nH]nc(C(=O)Nc2cccc(C[NH+]3CCC(O)CC3)c2)c1Br ZINC000754877427 655875755 /nfs/dbraw/zinc/87/57/55/655875755.db2.gz GHNKUEPTQMTPME-UHFFFAOYSA-N 1 0 393.285 2.690 20 0 GFADRO CC[NH+](CC)C[C@@H]1CCN(Cn2nc(Br)c(=O)c3ccccc32)C1 ZINC000755749151 655888369 /nfs/dbraw/zinc/88/83/69/655888369.db2.gz GBIQXDVKCKBHBT-AWEZNQCLSA-N 1 0 393.329 2.780 20 0 GFADRO CC(C)(C)S(=O)(=O)N1CCC([NH2+][C@@H]2CC[C@H]3SCCS[C@@H]23)CC1 ZINC000756047908 655893761 /nfs/dbraw/zinc/89/37/61/655893761.db2.gz CRZMEXLUXPCMBO-KFWWJZLASA-N 1 0 378.629 2.548 20 0 GFADRO COC(=O)N1CCC([NH2+]CC(=O)Nc2ccc(Br)cc2C)CC1 ZINC000756882441 655906508 /nfs/dbraw/zinc/90/65/08/655906508.db2.gz LPFOCXVHBJYRKD-UHFFFAOYSA-N 1 0 384.274 2.516 20 0 GFADRO O=C(NC[C@@H]1CC1(Cl)Cl)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000758262593 655927888 /nfs/dbraw/zinc/92/78/88/655927888.db2.gz CANSGKHVUUWMBX-JKSUJKDBSA-N 1 0 386.323 2.771 20 0 GFADRO CCc1c(Cl)nc(CS(C)(=O)=O)nc1N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000759235029 655951092 /nfs/dbraw/zinc/95/10/92/655951092.db2.gz KIYNOGPRYPQUSJ-NSHDSACASA-N 1 0 376.954 2.625 20 0 GFADRO C[C@@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)C[C@H](O)c1ccc(Cl)c(F)c1 ZINC000759844301 655965106 /nfs/dbraw/zinc/96/51/06/655965106.db2.gz MBCPMFNEMIXUNB-GTNSWQLSSA-N 1 0 386.876 2.853 20 0 GFADRO C[NH+]1CCC(CNC(=S)NCCc2cc(Br)ccc2F)CC1 ZINC000760475016 655981980 /nfs/dbraw/zinc/98/19/80/655981980.db2.gz IGJBVSUIJYRDDI-UHFFFAOYSA-N 1 0 388.350 2.937 20 0 GFADRO C[NH+](C)[C@@H]1CCCN(C(=O)/C=C\c2ccc(I)o2)CC1 ZINC000760760428 655991304 /nfs/dbraw/zinc/99/13/04/655991304.db2.gz CNSLOBRALFYZAE-XYLWRLHESA-N 1 0 388.249 2.840 20 0 GFADRO C[C@H](C1=CC[N@H+](C)CC1)N1C(=O)N[C@@](C)(c2cccc(Br)c2)C1=O ZINC000762318827 656039084 /nfs/dbraw/zinc/03/90/84/656039084.db2.gz YVYRIGKVIZLLRC-XIKOKIGWSA-N 1 0 392.297 2.867 20 0 GFADRO Cc1nn(Cc2ccccc2Cl)c(Cl)c1CNC[C@@]1(O)CC[N@@H+](C)C1 ZINC000762569365 656049545 /nfs/dbraw/zinc/04/95/45/656049545.db2.gz SDJJSSPQACPQKT-SFHVURJKSA-N 1 0 383.323 2.703 20 0 GFADRO C[N@@H+]1CC[C@@](O)(CNC(=O)C(C)(C)Sc2ccc(Br)cc2)C1 ZINC000762721226 656056882 /nfs/dbraw/zinc/05/68/82/656056882.db2.gz IYGMIPLAMQCJIN-MRXNPFEDSA-N 1 0 387.343 2.503 20 0 GFADRO C[NH+](C)CCCOC1CCN(C(=O)N[C@@H]2CC[C@@H]3SCCS[C@@H]23)CC1 ZINC000763067599 656070647 /nfs/dbraw/zinc/07/06/47/656070647.db2.gz VINPZVBEZCMWGC-IKGGRYGDSA-N 1 0 387.615 2.508 20 0 GFADRO C[C@@]1(c2ccccc2Br)NC(=O)N(C[N@@H+]2CC[C@@H](C3CC3)C2)C1=O ZINC000763330728 656079477 /nfs/dbraw/zinc/07/94/77/656079477.db2.gz DKSONPNTWIFKIN-ACJLOTCBSA-N 1 0 392.297 2.906 20 0 GFADRO C[N@H+](CC(=O)NC[C@@](O)(c1ccc(Cl)cc1)C(F)(F)F)[C@@H]1CCSC1 ZINC000764071899 656100016 /nfs/dbraw/zinc/10/00/16/656100016.db2.gz VRBGVGDKQNVNKV-UKRRQHHQSA-N 1 0 396.862 2.643 20 0 GFADRO C[C@H]1C[C@H](NC(=O)c2ccnc(Cl)c2I)CC[N@@H+]1C ZINC000764367585 656109328 /nfs/dbraw/zinc/10/93/28/656109328.db2.gz QMIMHEGKPDNAPA-DTWKUNHWSA-N 1 0 393.656 2.552 20 0 GFADRO Cc1cc(N[C@@H]2CCN(c3ccc(Br)c(C)c3)C2=O)nc(N)[nH+]1 ZINC000765089446 656131000 /nfs/dbraw/zinc/13/10/00/656131000.db2.gz AJQCQWUYSYMZAM-CYBMUJFWSA-N 1 0 376.258 2.656 20 0 GFADRO CN(C(=O)Nc1cc2c(cc1Br)OCCO2)C1CCC([NH3+])CC1 ZINC000841015031 661227971 /nfs/dbraw/zinc/22/79/71/661227971.db2.gz JBVFBCGFYASIOX-UHFFFAOYSA-N 1 0 384.274 2.954 20 0 GFADRO O=S(=O)(CC[NH2+]Cc1c(-c2ccccc2)nc2sccn12)CC1CC1 ZINC000765309045 656140005 /nfs/dbraw/zinc/14/00/05/656140005.db2.gz HEAXJMYEUWNJPK-UHFFFAOYSA-N 1 0 375.519 2.977 20 0 GFADRO CC[N@@H+]1C[C@H](C)N(C(=O)/C=C\c2ccc(I)o2)C[C@@H]1C ZINC000765923726 656154782 /nfs/dbraw/zinc/15/47/82/656154782.db2.gz JBKNARYDCUHEQA-HTMRKKJOSA-N 1 0 388.249 2.839 20 0 GFADRO CS[C@H]1CC[C@H](NC(=O)C(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)C1 ZINC000841051869 661230255 /nfs/dbraw/zinc/23/02/55/661230255.db2.gz ZOKCRSCOVZZKBF-AAEUAGOBSA-N 1 0 375.416 2.503 20 0 GFADRO O=C1c2ccc(Br)cc2C(=O)N1CN1CC[NH+](C2CCCC2)CC1 ZINC000766066642 656159695 /nfs/dbraw/zinc/15/96/95/656159695.db2.gz IYOAQUKFGAZWGX-UHFFFAOYSA-N 1 0 392.297 2.563 20 0 GFADRO [NH3+][C@H]1CCO[C@@H](C2CCN(Cc3nc4ccccn4c3Br)CC2)C1 ZINC000841104917 661233618 /nfs/dbraw/zinc/23/36/18/661233618.db2.gz WPQCURFULUJETO-GOEBONIOSA-N 1 0 393.329 2.815 20 0 GFADRO [NH3+][C@H]1CCO[C@H](C2CCN(Cc3nc4ccccn4c3Br)CC2)C1 ZINC000841104918 661233683 /nfs/dbraw/zinc/23/36/83/661233683.db2.gz WPQCURFULUJETO-HOCLYGCPSA-N 1 0 393.329 2.815 20 0 GFADRO Cc1cc(NC(=O)C(=O)NCC[NH2+]C2CCCCCC2)cnc1Br ZINC000841182641 661242166 /nfs/dbraw/zinc/24/21/66/661242166.db2.gz KJWRFBLWJMKAKT-UHFFFAOYSA-N 1 0 397.317 2.520 20 0 GFADRO CS[C@@H](C)CC(=O)OCC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000766918696 656188606 /nfs/dbraw/zinc/18/86/06/656188606.db2.gz MUXUTEAFYWVADN-AWEZNQCLSA-N 1 0 382.551 2.859 20 0 GFADRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)c2sc(Br)nc2C)C1 ZINC000841136187 661235884 /nfs/dbraw/zinc/23/58/84/661235884.db2.gz RXACDVJRQLHGBD-GFCCVEGCSA-N 1 0 390.347 2.787 20 0 GFADRO O=C(CC[NH+]1CCC(C(=O)Nc2ccc(Br)cn2)CC1)C1CC1 ZINC000767424402 656202544 /nfs/dbraw/zinc/20/25/44/656202544.db2.gz YIYHJTHPDWJLRG-UHFFFAOYSA-N 1 0 380.286 2.864 20 0 GFADRO CC[NH2+][C@H](C)CNC(=O)Nc1cnc(Br)c(Br)c1 ZINC000841140757 661236425 /nfs/dbraw/zinc/23/64/25/661236425.db2.gz AVXVMUFHKIAVMB-SSDOTTSWSA-N 1 0 380.084 2.726 20 0 GFADRO COc1cc(S(=O)(=O)N2CCC[C@@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)cnc1Cl ZINC000767720117 656216606 /nfs/dbraw/zinc/21/66/06/656216606.db2.gz GLWQSFNLBWZXIE-HZSPNIEDSA-N 1 0 387.933 2.770 20 0 GFADRO COc1cc(S(=O)(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cnc1Cl ZINC000767842073 656222749 /nfs/dbraw/zinc/22/27/49/656222749.db2.gz FBYGYAOMXYBAKC-QWHCGFSZSA-N 1 0 387.933 2.675 20 0 GFADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+][C@@H]1CCCC(F)(F)C1 ZINC000767929910 656228025 /nfs/dbraw/zinc/22/80/25/656228025.db2.gz SEMXESFZMJCRPK-VXGBXAGGSA-N 1 0 381.876 2.872 20 0 GFADRO CCOc1c(Cl)cc(NC(=O)C(=O)NCC[N@@H+]2CCC[C@@H]2C)cc1Cl ZINC000768171228 656233768 /nfs/dbraw/zinc/23/37/68/656233768.db2.gz AMFPVVYSBFCPBA-NSHDSACASA-N 1 0 388.295 2.931 20 0 GFADRO C[C@@H]1C[NH+](CCCCNc2ccc(S(=O)(=O)C(F)F)cc2)C[C@@H](C)O1 ZINC000768535144 656241172 /nfs/dbraw/zinc/24/11/72/656241172.db2.gz OHQNXGWEXRYXHU-ZIAGYGMSSA-N 1 0 376.469 2.984 20 0 GFADRO CC(C)([NH3+])CNC(=O)C(=O)Nc1ccccc1SC[C@@H]1CC1(Cl)Cl ZINC000841189310 661242774 /nfs/dbraw/zinc/24/27/74/661242774.db2.gz YPSCFLDVAMBSLW-JTQLQIEISA-N 1 0 390.336 2.765 20 0 GFADRO COC[C@]1(CNC(=O)Nc2cnc(Cl)c(Br)c2C)CCC[NH2+]1 ZINC000841192725 661243223 /nfs/dbraw/zinc/24/32/23/661243223.db2.gz UPIZIHIMKSJDQZ-CQSZACIVSA-N 1 0 391.697 2.696 20 0 GFADRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)Nc1cccc(Cl)c1SC(F)F ZINC000841216206 661245012 /nfs/dbraw/zinc/24/50/12/661245012.db2.gz FPPLOLGSUHGPFA-GZMMTYOYSA-N 1 0 377.844 2.707 20 0 GFADRO C[C@H]1CCCC[N@@H+]1CCC1CCN(S(=O)(=O)c2cnc(Cl)n2C)CC1 ZINC000769443054 656276630 /nfs/dbraw/zinc/27/66/30/656276630.db2.gz YBOIPAJAKJWTLM-AWEZNQCLSA-N 1 0 388.965 2.739 20 0 GFADRO C[C@@H]1CCC[N@H+](CCCCNC(=O)c2nccn3c(Br)cnc23)C1 ZINC000769700914 656286205 /nfs/dbraw/zinc/28/62/05/656286205.db2.gz FFDSECUYLYNKQC-CYBMUJFWSA-N 1 0 394.317 2.734 20 0 GFADRO CCCCCSc1nc2ccc(NC(=O)C(=O)N[C@@H](C)C[NH3+])cc2s1 ZINC000841226580 661246118 /nfs/dbraw/zinc/24/61/18/661246118.db2.gz NAENYNQDOQBZHQ-NSHDSACASA-N 1 0 380.539 2.981 20 0 GFADRO O[C@H](C[NH2+][C@@H]1CCCC[C@H]1N1CCOCC1)c1cccc(Br)c1 ZINC000769801779 656292286 /nfs/dbraw/zinc/29/22/86/656292286.db2.gz QXNJQDFNZGDXIT-KZNAEPCWSA-N 1 0 383.330 2.716 20 0 GFADRO Cn1nc(C(F)(F)F)c(C[NH2+][C@H]2CCCC[C@H]2N2CCOCC2)c1Cl ZINC000769801284 656292397 /nfs/dbraw/zinc/29/23/97/656292397.db2.gz OEUBYQBSMZRIOY-QWHCGFSZSA-N 1 0 380.842 2.825 20 0 GFADRO CC[NH+](CC)[C@@H](CNC(=O)c1nccn2c(Br)cnc12)CC(C)C ZINC000769842934 656294713 /nfs/dbraw/zinc/29/47/13/656294713.db2.gz SBSIEWFXCWOJID-CYBMUJFWSA-N 1 0 396.333 2.978 20 0 GFADRO O=C(Nc1cc(C(F)(F)F)cc(Br)n1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000841241337 661247738 /nfs/dbraw/zinc/24/77/38/661247738.db2.gz KHOIDUSYFUDITC-OCAPTIKFSA-N 1 0 379.180 2.546 20 0 GFADRO C[N@H+](CCNC(=O)c1cccnc1I)Cc1ccccc1 ZINC000770486616 656320742 /nfs/dbraw/zinc/32/07/42/656320742.db2.gz HOYLPHOUBKMQLE-UHFFFAOYSA-N 1 0 395.244 2.548 20 0 GFADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)N1Cc2ccc(Br)cc2C1 ZINC000770586972 656323356 /nfs/dbraw/zinc/32/33/56/656323356.db2.gz YFPXDVPZMKIFGE-CQSZACIVSA-N 1 0 395.345 2.500 20 0 GFADRO COC(=O)C[C@]1([NH2+]CC[S@@](=O)c2cc(Cl)ccc2Cl)CCCOC1 ZINC000770700827 656327208 /nfs/dbraw/zinc/32/72/08/656327208.db2.gz PYEACPBHFHNDEF-VOIUYBSRSA-N 1 0 394.320 2.803 20 0 GFADRO COC(=O)C[C@]1([NH2+]CC(=O)Nc2cccc(Cl)c2Cl)CCCOC1 ZINC000770697618 656327323 /nfs/dbraw/zinc/32/73/23/656327323.db2.gz JSMCZYPZUZPAKG-MRXNPFEDSA-N 1 0 375.252 2.634 20 0 GFADRO COC(=O)C[C@]1([NH2+]CC(=O)Nc2cc(Cl)ccc2Cl)CCCOC1 ZINC000770711348 656327835 /nfs/dbraw/zinc/32/78/35/656327835.db2.gz UVBTUSBAASLJSE-MRXNPFEDSA-N 1 0 375.252 2.634 20 0 GFADRO Cc1ccsc1-c1nsc(NC(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)n1 ZINC000771268376 656344539 /nfs/dbraw/zinc/34/45/39/656344539.db2.gz IGJUUIUELBHNMT-NWDGAFQWSA-N 1 0 379.511 2.560 20 0 GFADRO OC[C@@H]([NH2+]Cc1coc(-c2ccc(I)cc2)n1)C1CC1 ZINC000771822341 656363208 /nfs/dbraw/zinc/36/32/08/656363208.db2.gz WXKIECZTFRYQQK-CQSZACIVSA-N 1 0 384.217 2.807 20 0 GFADRO C[NH+](C)[C@@]1(CNC(=O)C[C@H](O)c2cc(Cl)cc(Cl)c2)CCSC1 ZINC000772745760 656387959 /nfs/dbraw/zinc/38/79/59/656387959.db2.gz LHPPVHWSLUWAAQ-GOEBONIOSA-N 1 0 377.337 2.970 20 0 GFADRO COc1ccc([C@@H](C)[NH2+]CCS(=O)(=O)CC2CC2)cc1Br ZINC000773064396 656398187 /nfs/dbraw/zinc/39/81/87/656398187.db2.gz GXPVDULTQIINCG-LLVKDONJSA-N 1 0 376.316 2.933 20 0 GFADRO C[NH+](C)C[C@@H]1CCN(C(=O)c2cc(=O)c3cc(Br)ccc3o2)C1 ZINC000841396212 661259598 /nfs/dbraw/zinc/25/95/98/661259598.db2.gz NZMYPDBNRJNCKQ-NSHDSACASA-N 1 0 379.254 2.579 20 0 GFADRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2Cn2c(=O)oc3cc(Br)c(F)cc32)C1 ZINC000773316181 656411295 /nfs/dbraw/zinc/41/12/95/656411295.db2.gz YSVBXRXUDURUGF-FZMZJTMJSA-N 1 0 398.276 2.870 20 0 GFADRO CSCC[C@H]1NC(=S)N(CC2([N@H+](C)Cc3ccccc3)CCC2)C1=O ZINC000841488776 661272556 /nfs/dbraw/zinc/27/25/56/661272556.db2.gz PHVMRIGURSTHAH-MRXNPFEDSA-N 1 0 377.579 2.880 20 0 GFADRO O[C@@H](C[NH2+]C[C@@H](O)c1ccc(F)c(Br)c1)COc1ccccc1 ZINC000774614677 656541100 /nfs/dbraw/zinc/54/11/00/656541100.db2.gz VPJQSBLGPCDYFQ-SUMWQHHRSA-N 1 0 384.245 2.651 20 0 GFADRO O=S1(=O)CC[C@H](C[NH2+]Cc2nc3ccc(Br)cc3s2)C1 ZINC000774951451 656574483 /nfs/dbraw/zinc/57/44/83/656574483.db2.gz SBCMKJOTLJPHOQ-SECBINFHSA-N 1 0 375.313 2.583 20 0 GFADRO COC(=O)c1cn(C2CC[NH+](Cc3cc(C)cc(Br)c3)CC2)nn1 ZINC000775063594 656590971 /nfs/dbraw/zinc/59/09/71/656590971.db2.gz UMZMOPUWRAGUBW-UHFFFAOYSA-N 1 0 393.285 2.973 20 0 GFADRO COc1cc(C[C@H](CO)C[NH2+][C@@H]2CC[C@@H]3SCCS[C@@H]23)cc(OC)c1 ZINC000775396676 656636935 /nfs/dbraw/zinc/63/69/35/656636935.db2.gz QZGSCPRJDRBWIB-VLQPXKRTSA-N 1 0 383.579 2.824 20 0 GFADRO O=C([C@@H]1CCC[N@@H+](C[C@H](O)c2ccc(F)c(Br)c2)C1)N1CCCC1 ZINC000775602074 656654416 /nfs/dbraw/zinc/65/44/16/656654416.db2.gz LQCMKZXZDISRAT-PBHICJAKSA-N 1 0 399.304 2.956 20 0 GFADRO COc1cccc([C@H](CNC(=O)c2scnc2Br)[NH+](C)C)c1 ZINC000777790430 656834726 /nfs/dbraw/zinc/83/47/26/656834726.db2.gz WOMUDAQKDAQXMG-LBPRGKRZSA-N 1 0 384.299 2.947 20 0 GFADRO CO[C@@H](c1ccccc1Cl)[C@H](C)[NH2+]CCc1ccc(S(N)(=O)=O)cc1 ZINC000778245333 656871101 /nfs/dbraw/zinc/87/11/01/656871101.db2.gz OZCQFRWSAXQKSV-SCLBCKFNSA-N 1 0 382.913 2.896 20 0 GFADRO COc1ccc(S(=O)(=O)N2CCC([NH2+]CCSC(C)(C)C)CC2)cc1 ZINC000779074559 656898589 /nfs/dbraw/zinc/89/85/89/656898589.db2.gz RVOLCCVILGQJJZ-UHFFFAOYSA-N 1 0 386.583 2.970 20 0 GFADRO COc1ccc2nc(Cl)ccc2c1S(=O)(=O)NCC1([NH+](C)C)CCC1 ZINC000782487069 657150089 /nfs/dbraw/zinc/15/00/89/657150089.db2.gz BHNIXNXFRRVFRN-UHFFFAOYSA-N 1 0 383.901 2.659 20 0 GFADRO C[N@@H+]1CCC[C@H](N2CCN(C(=S)Nc3ccc(Br)cc3)CC2)C1 ZINC000783738843 657256956 /nfs/dbraw/zinc/25/69/56/657256956.db2.gz OEKDJNTYQUEVOX-INIZCTEOSA-N 1 0 397.386 2.858 20 0 GFADRO C[C@H](CN1CC[NH+](C)CC1)NC(=S)Nc1cccc(OC(F)(F)F)c1 ZINC000783736100 657257023 /nfs/dbraw/zinc/25/70/23/657257023.db2.gz UNZCSTMTVNXAMH-GFCCVEGCSA-N 1 0 376.448 2.508 20 0 GFADRO COC(=O)CC1([NH2+]Cc2ccc(SC(F)F)cc2)CCS(=O)(=O)CC1 ZINC000784400561 657305856 /nfs/dbraw/zinc/30/58/56/657305856.db2.gz YSOYXWQWDXHTMT-UHFFFAOYSA-N 1 0 393.477 2.601 20 0 GFADRO Cc1cccc([C@H](C[NH2+]Cc2cc(Br)nn2C)N2CCOCC2)c1 ZINC000785418065 657363416 /nfs/dbraw/zinc/36/34/16/657363416.db2.gz QVHLMSAOMDYOEP-KRWDZBQOSA-N 1 0 393.329 2.654 20 0 GFADRO Cc1ccc([C@H](C[NH2+]Cc2cc(Br)nn2C)N2CCOCC2)cc1 ZINC000785423561 657363621 /nfs/dbraw/zinc/36/36/21/657363621.db2.gz MUJSUUMFOHNMRN-KRWDZBQOSA-N 1 0 393.329 2.654 20 0 GFADRO CC[NH+]1CCN(c2ccc(NCc3cc(Br)nn3C)cc2)CC1 ZINC000785432368 657364309 /nfs/dbraw/zinc/36/43/09/657364309.db2.gz YSVVDBGUYXHMAK-UHFFFAOYSA-N 1 0 378.318 2.937 20 0 GFADRO C[NH+](C)CCc1ccc(CNC(=O)N[C@@H]2CC[C@@H]3SCCS[C@H]23)cc1 ZINC000786137618 657409410 /nfs/dbraw/zinc/40/94/10/657409410.db2.gz ZWJAYORMLZSAOP-FGTMMUONSA-N 1 0 379.595 2.970 20 0 GFADRO CC(C)(C)OC(=O)N1CCC[C@H](C[NH2+]Cc2ccc(S(C)(=O)=O)s2)C1 ZINC000786827440 657472135 /nfs/dbraw/zinc/47/21/35/657472135.db2.gz SOCJEYGDMHJCTH-CYBMUJFWSA-N 1 0 388.555 2.888 20 0 GFADRO C[C@H]([NH2+]Cc1ccc(S(C)(=O)=O)s1)c1ccc(N2CCNC2=O)cc1 ZINC000786925888 657489935 /nfs/dbraw/zinc/48/99/35/657489935.db2.gz PCRGLVVDRWAWPV-LBPRGKRZSA-N 1 0 379.507 2.532 20 0 GFADRO Cc1ccc(Br)nc1C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000786973128 657498878 /nfs/dbraw/zinc/49/88/78/657498878.db2.gz HTUTUPGTPIAKKR-CQSZACIVSA-N 1 0 382.302 2.526 20 0 GFADRO CC(C)[N@@H+](Cc1cc(Br)nn1C)C[C@H](O)COc1ccccc1 ZINC000787292216 657540758 /nfs/dbraw/zinc/54/07/58/657540758.db2.gz YUBPAJYQYJYZJA-HNNXBMFYSA-N 1 0 382.302 2.833 20 0 GFADRO COc1cc(C(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)cnc1Br ZINC000788136028 657656774 /nfs/dbraw/zinc/65/67/74/657656774.db2.gz RQXYRNIPJULKAU-HNNXBMFYSA-N 1 0 392.297 2.755 20 0 GFADRO COc1cc(C(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)cnc1Br ZINC000788222537 657675917 /nfs/dbraw/zinc/67/59/17/657675917.db2.gz FZCRRSHELLQLSJ-CYBMUJFWSA-N 1 0 382.302 2.801 20 0 GFADRO O=C(NC[C@H]1CCC[N@H+](Cc2cccs2)C1)c1cc(Br)n[nH]1 ZINC000788291274 657690779 /nfs/dbraw/zinc/69/07/79/657690779.db2.gz BFOGQPXRVXKHNB-LLVKDONJSA-N 1 0 383.315 2.876 20 0 GFADRO CCS(=O)(=O)CCCCC[N@@H+]1CC[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000789349045 657840286 /nfs/dbraw/zinc/84/02/86/657840286.db2.gz ZRMFFUILYZFCAD-HOTGVXAUSA-N 1 0 376.563 2.827 20 0 GFADRO CCS(=O)(=O)CCCCC[N@@H+]1CC[C@@H](NC(=O)OC(C)(C)C)C[C@H]1C ZINC000789350633 657840387 /nfs/dbraw/zinc/84/03/87/657840387.db2.gz IVMNBWPMEGVGPN-HZPDHXFCSA-N 1 0 376.563 2.969 20 0 GFADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)Oc1cc(Cl)ccc1F ZINC000790021260 657911938 /nfs/dbraw/zinc/91/19/38/657911938.db2.gz GSYAQEHYDWASMK-UHFFFAOYSA-N 1 0 375.853 2.622 20 0 GFADRO CC[NH+](CC)CCN(CCOC)C(=O)c1cnc(Br)c(Cl)c1 ZINC000790456369 657985937 /nfs/dbraw/zinc/98/59/37/657985937.db2.gz HUVOOSYRHSWDIK-UHFFFAOYSA-N 1 0 392.725 2.928 20 0 GFADRO C[C@@H]1CC[C@@H]1[NH2+][C@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 ZINC000790745675 658018136 /nfs/dbraw/zinc/01/81/36/658018136.db2.gz DBWXFPYEBLXQCW-INWMFGNUSA-N 1 0 387.343 2.990 20 0 GFADRO CN(CCC[NH+](C)C)C(=O)c1nc(Br)ccc1Br ZINC000790848099 658034458 /nfs/dbraw/zinc/03/44/58/658034458.db2.gz HOWWEPLDZGHDMX-UHFFFAOYSA-N 1 0 379.096 2.630 20 0 GFADRO C[NH+](C)CCOc1ccc(NC(=O)Cc2cccnc2Br)cc1 ZINC000791331306 658081639 /nfs/dbraw/zinc/08/16/39/658081639.db2.gz UIDBOGSYIMDKCW-UHFFFAOYSA-N 1 0 378.270 2.966 20 0 GFADRO O=C(Nc1cnn(-c2cc[nH+]cc2)c1)[C@H]1Cc2cc(Br)ccc2O1 ZINC000791560939 658128398 /nfs/dbraw/zinc/12/83/98/658128398.db2.gz KFURLNGEHFHLLX-MRXNPFEDSA-N 1 0 385.221 2.972 20 0 GFADRO C[C@]12CC[N@H+](CCC(=O)NC(=O)NCc3ccccc3)C[C@H]1C2(Cl)Cl ZINC000792897940 658326929 /nfs/dbraw/zinc/32/69/29/658326929.db2.gz GUJQPRIERMQPJU-PBHICJAKSA-N 1 0 384.307 2.918 20 0 GFADRO Cn1nc(Br)cc1CN1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000793239141 658374317 /nfs/dbraw/zinc/37/43/17/658374317.db2.gz CJYROSVONPMNIK-IYBDPMFKSA-N 1 0 375.314 2.746 20 0 GFADRO C[C@@H]1CN(c2ccc(Cl)c(F)c2)CCN1C(=S)NC1CC[NH+](C)CC1 ZINC000793326310 658385724 /nfs/dbraw/zinc/38/57/24/658385724.db2.gz VKVMQOSAJJJTKY-CYBMUJFWSA-N 1 0 384.952 2.958 20 0 GFADRO CC1(C)[C@H]([NH2+]CCNS(=O)(=O)c2cccs2)C[C@H]1Oc1ccccc1 ZINC000793551077 658403708 /nfs/dbraw/zinc/40/37/08/658403708.db2.gz UDRQXEJEOSFKRB-HZPDHXFCSA-N 1 0 380.535 2.862 20 0 GFADRO COC(=O)c1ccc(C[NH2+][C@@H]2CCCN(C(=O)OC)C2)c(Br)c1 ZINC000793583769 658411564 /nfs/dbraw/zinc/41/15/64/658411564.db2.gz ICICNBMZFBPSCC-CYBMUJFWSA-N 1 0 385.258 2.556 20 0 GFADRO Cc1nc(SC(F)F)sc1CC(=O)NCC1(O)CC[NH+](C(C)C)CC1 ZINC000793658660 658421992 /nfs/dbraw/zinc/42/19/92/658421992.db2.gz UAHYPANNAAHMFF-UHFFFAOYSA-N 1 0 393.525 2.660 20 0 GFADRO CS[C@@H]1CN(C(=O)Cc2sc(SC(F)F)nc2C)C[C@@H]1[NH+](C)C ZINC000793739252 658432380 /nfs/dbraw/zinc/43/23/80/658432380.db2.gz BNHNRMBPEGWBPI-GXSJLCMTSA-N 1 0 381.539 2.813 20 0 GFADRO C[N@@H+]1CCC[C@@H]2CN(Cn3c(=O)oc4cccc(Br)c43)CC[C@H]21 ZINC000794635402 658585965 /nfs/dbraw/zinc/58/59/65/658585965.db2.gz VMKNDQFVDKDRBE-TZMCWYRMSA-N 1 0 380.286 2.731 20 0 GFADRO C[C@H]1C[N@H+](Cn2ccc(=O)c3cccc(Br)c32)C[C@]2(CCOC2)O1 ZINC000794708061 658599384 /nfs/dbraw/zinc/59/93/84/658599384.db2.gz XBHPOYYEVQAPCB-UGSOOPFHSA-N 1 0 393.281 2.601 20 0 GFADRO CCNS(=O)(=O)CC[NH2+][C@@H]1CC(C)(C)c2ccc(Br)cc21 ZINC000794811996 658618588 /nfs/dbraw/zinc/61/85/88/658618588.db2.gz VCDGSOHSINXSBX-CQSZACIVSA-N 1 0 375.332 2.700 20 0 GFADRO C[C@H](CCc1ccc(I)cc1)[NH2+]C1CCN(C=O)CC1 ZINC000794833885 658620464 /nfs/dbraw/zinc/62/04/64/658620464.db2.gz MMDWEDQKVATJHG-CYBMUJFWSA-N 1 0 386.277 2.823 20 0 GFADRO O[C@H]1CCCC[C@@H]1[NH+]1CCC(NC(=S)NCCCCC(F)(F)F)CC1 ZINC000794985438 658645435 /nfs/dbraw/zinc/64/54/35/658645435.db2.gz SSWIPYLRYGYIDI-GJZGRUSLSA-N 1 0 381.508 2.951 20 0 GFADRO CC1(C)Cc2c(cccc2Br)[C@H]1[NH2+]CCCOC(=O)NC(N)=O ZINC000795122916 658681892 /nfs/dbraw/zinc/68/18/92/658681892.db2.gz MIRDQBMIQCUJGX-CYBMUJFWSA-N 1 0 384.274 2.857 20 0 GFADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1cc(F)c(Br)c(Cl)c1 ZINC000795851737 658859452 /nfs/dbraw/zinc/85/94/52/658859452.db2.gz VCILTRJEMIORKC-MNOVXSKESA-N 1 0 391.668 2.835 20 0 GFADRO O=C(NCC[NH2+]CC1CCC2(CC1)OCCO2)c1cccc(Br)c1 ZINC000795936579 658874336 /nfs/dbraw/zinc/87/43/36/658874336.db2.gz VYSQSLTTZABNNV-UHFFFAOYSA-N 1 0 397.313 2.702 20 0 GFADRO C[C@@H]([NH2+]CCn1cc(Br)cn1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000797115494 658982064 /nfs/dbraw/zinc/98/20/64/658982064.db2.gz DRINSTDLMBNOOY-QAPCUYQASA-N 1 0 393.329 2.525 20 0 GFADRO CC[NH+](CC)CC(C)(C)COC(=O)c1c(I)cnn1C ZINC000797281887 659009786 /nfs/dbraw/zinc/00/97/86/659009786.db2.gz RCFKNDGBJGZQSP-UHFFFAOYSA-N 1 0 393.269 2.550 20 0 GFADRO CC1=C(Br)CN(C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC000797459452 659025376 /nfs/dbraw/zinc/02/53/76/659025376.db2.gz GBORCVTVNAATGY-HNNXBMFYSA-N 1 0 386.334 2.714 20 0 GFADRO C[C@@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CCC=C(Br)C1 ZINC000799327713 659182103 /nfs/dbraw/zinc/18/21/03/659182103.db2.gz YMSUMGYEWYWGFL-MAUKXSAKSA-N 1 0 392.341 2.750 20 0 GFADRO O[C@@H](C[NH2+]Cc1cc(C(F)(F)F)n[nH]1)c1cc(Cl)c2c(c1)OCCO2 ZINC000799337914 659183199 /nfs/dbraw/zinc/18/31/99/659183199.db2.gz AYRUQRJSIPVHIY-NSHDSACASA-N 1 0 377.750 2.676 20 0 GFADRO C[NH+]1CCC(NC(=S)N[C@@H]2CCOc3c(Br)cccc32)CC1 ZINC000799899495 659239103 /nfs/dbraw/zinc/23/91/03/659239103.db2.gz WRQQQDWZOZKVLR-CQSZACIVSA-N 1 0 384.343 2.831 20 0 GFADRO Cc1nn(C)c(Br)c1C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000800889823 659343420 /nfs/dbraw/zinc/34/34/20/659343420.db2.gz YHMGRGYFNUNFGG-HNNXBMFYSA-N 1 0 391.313 2.885 20 0 GFADRO Cc1nn(C)c(Br)c1C(=O)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000800937706 659354016 /nfs/dbraw/zinc/35/40/16/659354016.db2.gz RGINZGZRFOFHJC-AAEUAGOBSA-N 1 0 383.334 2.874 20 0 GFADRO CCc1noc(C)c1[C@H](C)[NH2+]CCNS(=O)(=O)c1ccc(F)cc1Cl ZINC000800989355 659362141 /nfs/dbraw/zinc/36/21/41/659362141.db2.gz COZVZPRSCZYWQG-JTQLQIEISA-N 1 0 389.880 2.967 20 0 GFADRO COc1cccc([C@@H](CNC(=O)c2c(C)nn(C)c2Br)[NH+](C)C)c1 ZINC000801082629 659366575 /nfs/dbraw/zinc/36/65/75/659366575.db2.gz CRSXJHMBSJLTSS-CQSZACIVSA-N 1 0 395.301 2.532 20 0 GFADRO CC(C)S(=O)(=O)CCC[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)CC1(C)C ZINC000801585365 659405925 /nfs/dbraw/zinc/40/59/25/659405925.db2.gz MGLHPHZLBPEQFA-HNNXBMFYSA-N 1 0 376.563 2.825 20 0 GFADRO O=C1c2cccc(Br)c2CN1CN1CCN(c2cc[nH+]cc2)CC1 ZINC000802724097 659496315 /nfs/dbraw/zinc/49/63/15/659496315.db2.gz MLQXIIQDOQONDQ-UHFFFAOYSA-N 1 0 387.281 2.580 20 0 GFADRO COc1cc(/C=C\C(=O)N[C@H]2CCc3cncn3C2)cc(Br)c1O ZINC000804333930 659635399 /nfs/dbraw/zinc/63/53/99/659635399.db2.gz SZMVGCYMWVJRHK-PZBKNZOISA-N 1 0 392.253 2.504 20 0 GFADRO COCC[NH+](CCOC)C1CCN(C(=O)c2cc(Cl)cc(Cl)n2)CC1 ZINC000804626358 659663358 /nfs/dbraw/zinc/66/33/58/659663358.db2.gz HRKZQBMSVILBPL-UHFFFAOYSA-N 1 0 390.311 2.588 20 0 GFADRO Cc1nc(Cl)ccc1S(=O)(=O)N(CC[NH+](C)C)Cc1ccccc1F ZINC000804959177 659703312 /nfs/dbraw/zinc/70/33/12/659703312.db2.gz COBUDYWILIWBRL-UHFFFAOYSA-N 1 0 385.892 2.935 20 0 GFADRO C[N@H+](Cc1ccccc1)C1CN(C(=O)N[C@@H]2CC[C@H]3SCCS[C@H]23)C1 ZINC000807040227 659846538 /nfs/dbraw/zinc/84/65/38/659846538.db2.gz OHLOELZFHFXOPB-KZNAEPCWSA-N 1 0 377.579 2.892 20 0 GFADRO C[C@@H]1C[N@H+](CCCNC(=O)N2CC[C@@]3(C)[C@@H](C2)C3(Cl)Cl)CCCO1 ZINC000807182070 659849373 /nfs/dbraw/zinc/84/93/73/659849373.db2.gz XGTFTFSJCMFRLA-FMKPAKJESA-N 1 0 378.344 2.713 20 0 GFADRO Cc1cc(S(=O)(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)cnc1Cl ZINC000808326293 659888635 /nfs/dbraw/zinc/88/86/35/659888635.db2.gz OVEQCRYJTAXYTO-WMLDXEAASA-N 1 0 379.913 2.985 20 0 GFADRO Cc1cc(Br)cn2c(C[NH2+][C@H]3COc4ccccc4[C@H]3O)cnc12 ZINC000808455323 659894800 /nfs/dbraw/zinc/89/48/00/659894800.db2.gz YJBCMMOANOLTHF-DOTOQJQBSA-N 1 0 388.265 2.989 20 0 GFADRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]C[C@H](O)c3ccc(F)c(Br)c3)[C@@H]2C1 ZINC000808783860 659906179 /nfs/dbraw/zinc/90/61/79/659906179.db2.gz KMUXMPBZKWEOMQ-DACLVMHWSA-N 1 0 399.304 2.858 20 0 GFADRO CCOC(=O)C1(C[NH2+]Cc2ncc(I)s2)CCCC1 ZINC000809651625 659935254 /nfs/dbraw/zinc/93/52/54/659935254.db2.gz AMLNFONFUDKAKV-UHFFFAOYSA-N 1 0 394.278 2.961 20 0 GFADRO CC(=O)c1cc(S(=O)(=O)N[C@H](C)C[N@@H+](C)C(C)C)ccc1Br ZINC000810091429 659961096 /nfs/dbraw/zinc/96/10/96/659961096.db2.gz UTQDSWQVTJWYQZ-LLVKDONJSA-N 1 0 391.331 2.659 20 0 GFADRO COc1cccc([C@H](O)C[NH2+]Cc2cn3ccc(Br)cc3n2)c1 ZINC000810143213 659964391 /nfs/dbraw/zinc/96/43/91/659964391.db2.gz CVNMXPIMJNNWEV-MRXNPFEDSA-N 1 0 376.254 2.929 20 0 GFADRO O=C(CCNC(=O)c1ccc(Br)cc1)O[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000810844951 659988213 /nfs/dbraw/zinc/98/82/13/659988213.db2.gz ACLZYDRXSFNBJF-HOTGVXAUSA-N 1 0 395.297 2.739 20 0 GFADRO CCn1cc(Br)c(=O)c(NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)c1 ZINC000810920332 659990480 /nfs/dbraw/zinc/99/04/80/659990480.db2.gz ZHPBCBNYHHKSAR-INIZCTEOSA-N 1 0 388.281 2.782 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)NC[C@H](O)c2cccc(Br)c2)C1 ZINC000811496302 660010492 /nfs/dbraw/zinc/01/04/92/660010492.db2.gz VCCGCDXXDPUMBB-WMLDXEAASA-N 1 0 387.293 2.811 20 0 GFADRO CSC1(CNC(=S)Nc2ccc3c(c2)OCCCO3)CC[NH+](C)CC1 ZINC000811711354 660014623 /nfs/dbraw/zinc/01/46/23/660014623.db2.gz XBYHDYCOWGSBHC-UHFFFAOYSA-N 1 0 381.567 2.962 20 0 GFADRO CCCC[C@H]1NC(=O)N(CN(C)CCc2cccc(Br)c2)C1=O ZINC000812302763 660023026 /nfs/dbraw/zinc/02/30/26/660023026.db2.gz YCKNOMVVDLXXMS-OAHLLOKOSA-N 1 0 382.302 2.992 20 0 GFADRO C[C@H](CCCCNC(=O)OC(C)(C)C)[NH2+][C@H](C)C1CCS(=O)(=O)CC1 ZINC000813876781 660066250 /nfs/dbraw/zinc/06/62/50/660066250.db2.gz ZQRIDAVMPXILRY-HUUCEWRRSA-N 1 0 376.563 2.873 20 0 GFADRO CN1CC[NH+](CC2(C)CCN(Cc3ccnc(Br)c3)CC2)CC1 ZINC000815092641 660111253 /nfs/dbraw/zinc/11/12/53/660111253.db2.gz MZUFEMZSWBWQBQ-UHFFFAOYSA-N 1 0 381.362 2.694 20 0 GFADRO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2cn3c(Br)cnc3s2)C1 ZINC000815720938 660129326 /nfs/dbraw/zinc/12/93/26/660129326.db2.gz UVOFGIFAFQNELE-LLVKDONJSA-N 1 0 385.331 2.962 20 0 GFADRO C[N@@H+]1CCCC12CCN(C(=O)c1cn3c(Br)cnc3s1)CC2 ZINC000815931054 660136215 /nfs/dbraw/zinc/13/62/15/660136215.db2.gz LYTBDPPBDQUAEC-UHFFFAOYSA-N 1 0 383.315 2.859 20 0 GFADRO C[C@H](NC(=O)NCc1ccc(CC[NH3+])cc1)c1ccc(Br)cn1 ZINC000841890485 661317565 /nfs/dbraw/zinc/31/75/65/661317565.db2.gz PARUDQDJVSXZJE-LBPRGKRZSA-N 1 0 377.286 2.906 20 0 GFADRO [NH3+]CCc1ccc(CNC(=O)NCCc2cccc(Br)c2)cc1 ZINC000841915113 661317657 /nfs/dbraw/zinc/31/76/57/661317657.db2.gz MAYVETZVHGUNEG-UHFFFAOYSA-N 1 0 376.298 2.992 20 0 GFADRO CC1(CNC(=O)N2CCO[C@H](c3ccccc3Br)C2)CC[NH2+]CC1 ZINC000841968805 661318397 /nfs/dbraw/zinc/31/83/97/661318397.db2.gz CQSFYYAWBGFWAR-INIZCTEOSA-N 1 0 396.329 2.922 20 0 GFADRO CC1(CNC(=O)N2CCO[C@@H](c3ccccc3Br)C2)CC[NH2+]CC1 ZINC000841968806 661318465 /nfs/dbraw/zinc/31/84/65/661318465.db2.gz CQSFYYAWBGFWAR-MRXNPFEDSA-N 1 0 396.329 2.922 20 0 GFADRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N1CCO[C@@H](c2ccccc2Br)C1 ZINC000841975227 661318687 /nfs/dbraw/zinc/31/86/87/661318687.db2.gz DQBBXDCEMFRCBO-UHOFOFEASA-N 1 0 382.302 2.530 20 0 GFADRO CN(C[C@@H](O)c1ccccc1Br)C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000841989513 661319074 /nfs/dbraw/zinc/31/90/74/661319074.db2.gz YSLPVEXVGWHPFC-HZPDHXFCSA-N 1 0 384.318 2.641 20 0 GFADRO [NH3+]C[C@@H]1CC[C@H](NC(=O)N2CCO[C@H](c3ccccc3Br)C2)C1 ZINC000842010542 661319786 /nfs/dbraw/zinc/31/97/86/661319786.db2.gz MIGBTTNCNWKPNV-WWGRRREGSA-N 1 0 382.302 2.659 20 0 GFADRO CS(=O)(=O)CC1CCC([NH2+][C@H]2CCN(c3cccc(Cl)c3)C2=O)CC1 ZINC000842150339 661325734 /nfs/dbraw/zinc/32/57/34/661325734.db2.gz FIDUEYOYMOSGDV-PGEKIEPBSA-N 1 0 384.929 2.638 20 0 GFADRO O=C(CCNc1ncc(C(F)(F)F)cc1Cl)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000842513844 661342754 /nfs/dbraw/zinc/34/27/54/661342754.db2.gz VQVUOZGRPLQACO-OAHLLOKOSA-N 1 0 376.810 2.910 20 0 GFADRO C[NH2+]C[C@@H](C)c1noc(-c2cc(F)c(F)cc2I)n1 ZINC000842581306 661344434 /nfs/dbraw/zinc/34/44/34/661344434.db2.gz CKNULTCWUGDBKL-ZCFIWIBFSA-N 1 0 379.148 2.942 20 0 GFADRO CON(C)S(=O)(=O)c1cc(-c2nc([C@H]([NH3+])CC(C)C)no2)ccc1Cl ZINC000842588121 661344600 /nfs/dbraw/zinc/34/46/00/661344600.db2.gz KTDPVMAHERJYHC-GFCCVEGCSA-N 1 0 388.877 2.618 20 0 GFADRO [NH2+]=C(COC[C@H]1CCCO1)NOCc1c(F)ccc(Br)c1F ZINC000842658080 661347689 /nfs/dbraw/zinc/34/76/89/661347689.db2.gz WMXUEKTXARKHEK-SECBINFHSA-N 1 0 379.201 2.921 20 0 GFADRO [NH2+]=C(COC[C@H]1CCOC1)NOCc1c(F)ccc(Br)c1F ZINC000842662805 661347909 /nfs/dbraw/zinc/34/79/09/661347909.db2.gz WAHXIIOJPJXEOD-VIFPVBQESA-N 1 0 379.201 2.779 20 0 GFADRO COc1ccc2nc(Cl)ccc2c1S(=O)(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000842725402 661351127 /nfs/dbraw/zinc/35/11/27/661351127.db2.gz WLTOWXSMQNPMEH-WCQYABFASA-N 1 0 383.901 2.693 20 0 GFADRO CC(C)[N@@H+]1CCO[C@@H](COC(=O)c2c3ccc(Br)cc3nn2C)C1 ZINC000842756160 661352771 /nfs/dbraw/zinc/35/27/71/661352771.db2.gz IXGQSSLMSDCXEU-CYBMUJFWSA-N 1 0 396.285 2.602 20 0 GFADRO CSc1ccc2c(c1)[C@H]([NH2+]C1CCN(CCS(C)(=O)=O)CC1)CCC2 ZINC000842842729 661356916 /nfs/dbraw/zinc/35/69/16/661356916.db2.gz ZZZRWDYSRAEPHC-LJQANCHMSA-N 1 0 382.595 2.885 20 0 GFADRO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N1CCCC[C@@H]1CC[NH3+] ZINC000842860991 661357545 /nfs/dbraw/zinc/35/75/45/661357545.db2.gz YMBRFYOFMWQFSC-DZGCQCFKSA-N 1 0 390.933 2.646 20 0 GFADRO O=S(=O)(c1ccc(Cl)nc1Cl)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000842871454 661358129 /nfs/dbraw/zinc/35/81/29/661358129.db2.gz BJSCAFYQJWCJFV-NEPJUHHUSA-N 1 0 378.325 2.789 20 0 GFADRO O=S(=O)(/C=C\c1ccc(Br)cc1)N1CCC2(CC[NH2+]C2)CC1 ZINC000842871888 661358161 /nfs/dbraw/zinc/35/81/61/661358161.db2.gz TWXKHQJCLLLRKP-XGICHPGQSA-N 1 0 385.327 2.825 20 0 GFADRO [NH3+]CCCCCCNC(=O)C(=O)Nc1ccc(Br)cc1Cl ZINC000843050098 661365345 /nfs/dbraw/zinc/36/53/45/661365345.db2.gz BWAZXYLJEJXFGL-UHFFFAOYSA-N 1 0 376.682 2.676 20 0 GFADRO COc1cc(OC)cc([C@@H](O)C[NH2+]C[C@@H](O)c2ccc(Br)cc2)c1 ZINC000843065466 661365778 /nfs/dbraw/zinc/36/57/78/661365778.db2.gz FQUZMQVUAJHDDV-MSOLQXFVSA-N 1 0 396.281 2.823 20 0 GFADRO Cc1ccccc1[C@H](O)C[NH2+]C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000843073791 661366613 /nfs/dbraw/zinc/36/66/13/661366613.db2.gz JPHYQRDCEAPOCU-MAUKXSAKSA-N 1 0 398.272 2.960 20 0 GFADRO Cc1ccc([C@H](O)C[NH2+]C[C@@H](O)COc2cc(F)cc(Br)c2)o1 ZINC000843088749 661367173 /nfs/dbraw/zinc/36/71/73/661367173.db2.gz PGFMKBCDLVFZSV-UKRRQHHQSA-N 1 0 388.233 2.553 20 0 GFADRO OCC1([C@H]([NH2+]C[C@@H](O)c2cccc(Br)c2)C2CC2)CCOCC1 ZINC000843116540 661369550 /nfs/dbraw/zinc/36/95/50/661369550.db2.gz ZBWRMSAIQNFFBK-IAGOWNOFSA-N 1 0 384.314 2.640 20 0 GFADRO O[C@H](C[NH2+][C@H]1COc2ccccc2[C@@H]1O)COc1c(Cl)cccc1Cl ZINC000843117823 661369731 /nfs/dbraw/zinc/36/97/31/661369731.db2.gz UKXBJJYUJXOKNT-PJQXDXOGSA-N 1 0 384.259 2.817 20 0 GFADRO COc1ccc(C[C@H](CO)C[NH2+]C[C@@H](O)c2ccccc2)cc1Br ZINC000843118052 661369814 /nfs/dbraw/zinc/36/98/14/661369814.db2.gz ZTKIBZCOHJZPCJ-MAUKXSAKSA-N 1 0 394.309 2.932 20 0 GFADRO O[C@H](C[NH2+][C@@H]1COc2ccccc2[C@@H]1O)COc1ccc(Cl)c(Cl)c1 ZINC000843117737 661369901 /nfs/dbraw/zinc/36/99/01/661369901.db2.gz SRGKDNNNYIBVMU-ONUMYQOESA-N 1 0 384.259 2.817 20 0 GFADRO Brc1ccc2nc(CN3CC[C@H](N4CC[NH2+]CC4)C3)sc2c1 ZINC000843122849 661370431 /nfs/dbraw/zinc/37/04/31/661370431.db2.gz OUAJMXRUCOHAOJ-ZDUSSCGKSA-N 1 0 381.343 2.538 20 0 GFADRO Ic1cccc(-c2noc(C[C@@H]3CSCC[NH2+]3)n2)c1 ZINC000843199926 661371773 /nfs/dbraw/zinc/37/17/73/661371773.db2.gz DXBXLWBYTWJKPR-LLVKDONJSA-N 1 0 387.246 2.589 20 0 GFADRO Ic1ccc(OCc2noc(C[NH2+]CC3CC3)n2)cc1 ZINC000843226819 661373833 /nfs/dbraw/zinc/37/38/33/661373833.db2.gz KRUYNYANOJMIJD-UHFFFAOYSA-N 1 0 385.205 2.753 20 0 GFADRO Brc1csc(Cc2noc(-c3cn(C4CC[NH2+]CC4)nn3)n2)c1 ZINC000843231704 661374504 /nfs/dbraw/zinc/37/45/04/661374504.db2.gz VKXLPBGPQUYWMW-UHFFFAOYSA-N 1 0 395.286 2.667 20 0 GFADRO C[N@@H+]1CCC[C@@H](N2CCN(Cc3cc(Br)cnc3Cl)CC2)C1 ZINC000843396389 661379601 /nfs/dbraw/zinc/37/96/01/661379601.db2.gz CKKILZMRIYZFII-OAHLLOKOSA-N 1 0 387.753 2.709 20 0 GFADRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1Cc1cc(Br)cnc1Cl ZINC000843405575 661379864 /nfs/dbraw/zinc/37/98/64/661379864.db2.gz ZRQRBQWNVXEWAU-LLVKDONJSA-N 1 0 376.726 2.775 20 0 GFADRO O=C(Nc1cnn(C2CC[NH2+]CC2)c1)c1n[nH]c2ccc(Br)cc21 ZINC000843458081 661382143 /nfs/dbraw/zinc/38/21/43/661382143.db2.gz SUSPAWXSYRVALE-UHFFFAOYSA-N 1 0 389.257 2.699 20 0 GFADRO O=C(COc1ccccc1Br)Nc1cnn(C2CC[NH2+]CC2)c1 ZINC000843457900 661382180 /nfs/dbraw/zinc/38/21/80/661382180.db2.gz VNJHGAZIOOATGB-UHFFFAOYSA-N 1 0 379.258 2.588 20 0 GFADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1cc2c(cncc2Br)s1 ZINC000843778373 661392253 /nfs/dbraw/zinc/39/22/53/661392253.db2.gz ISNDOENQOGFLAP-MNOVXSKESA-N 1 0 396.310 2.652 20 0 GFADRO NC(=O)c1ccsc1NC(=O)CC[NH+]1CCC2(CC1)C(F)(F)C2(F)F ZINC000844382675 661417860 /nfs/dbraw/zinc/41/78/60/661417860.db2.gz HVJJULGMVZTXSG-UHFFFAOYSA-N 1 0 379.379 2.542 20 0 GFADRO C[NH+](C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)OCc1ncc(Cl)s1 ZINC000845242939 661462920 /nfs/dbraw/zinc/46/29/20/661462920.db2.gz VBSXUOUCSKVUIW-SNVBAGLBSA-N 1 0 377.894 2.685 20 0 GFADRO CC(C)[N@@H+]1CCO[C@@H](COC(=O)[C@H]2CCOc3ccc(Br)cc32)C1 ZINC000845514057 661476033 /nfs/dbraw/zinc/47/60/33/661476033.db2.gz RWKMXSWNJLHWEB-CABCVRRESA-N 1 0 398.297 2.968 20 0 GFADRO O=C(NCCC[C@@H]1CC1(Cl)Cl)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000845665757 661485841 /nfs/dbraw/zinc/48/58/41/661485841.db2.gz INIIIHQMUXYASU-OAHLLOKOSA-N 1 0 378.344 2.714 20 0 GFADRO C[C@@H]1[C@H](COC(=O)c2cc(I)ccc2F)CC[N@@H+]1C ZINC000845818602 661498561 /nfs/dbraw/zinc/49/85/61/661498561.db2.gz XBQUVCFYEMKUPE-ZJUUUORDSA-N 1 0 377.197 2.927 20 0 GFADRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1snc(Cl)c1Cl ZINC000845831940 661499335 /nfs/dbraw/zinc/49/93/35/661499335.db2.gz OOACJELKEKWYMY-MNOVXSKESA-N 1 0 378.325 2.948 20 0 GFADRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1snc(Cl)c1Cl ZINC000845831939 661499383 /nfs/dbraw/zinc/49/93/83/661499383.db2.gz OOACJELKEKWYMY-GHMZBOCLSA-N 1 0 378.325 2.948 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCOc4ccc(Br)cc43)C[C@@H]2C1 ZINC000846187244 661537284 /nfs/dbraw/zinc/53/72/84/661537284.db2.gz IYNZDAADBYSMMX-IPYPFGDCSA-N 1 0 379.298 2.725 20 0 GFADRO [NH3+]C[C@]12CCC[C@H]1CN(S(=O)(=O)/C=C/c1cccc(Br)c1)C2 ZINC000846232700 661539574 /nfs/dbraw/zinc/53/95/74/661539574.db2.gz YAJQFHRQDWWSPP-YKNXIFKJSA-N 1 0 385.327 2.810 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(S(=O)(=O)/C=C/c3ccccc3Cl)C2)C1 ZINC000846232643 661539642 /nfs/dbraw/zinc/53/96/42/661539642.db2.gz XGZLRYOHDSKGIX-RSKXUQQDSA-N 1 0 384.929 2.859 20 0 GFADRO O=C(CC[NH+]1CCN(c2ccccn2)CC1)NCCC[C@H]1CC1(Cl)Cl ZINC000846587193 661557596 /nfs/dbraw/zinc/55/75/96/661557596.db2.gz JEJRFHZCBOARAO-HNNXBMFYSA-N 1 0 385.339 2.684 20 0 GFADRO CC1(C)C(=O)N[C@@H]1C1CC[NH+](C[C@@H](O)c2ccc(Br)cc2)CC1 ZINC000846928411 661571219 /nfs/dbraw/zinc/57/12/19/661571219.db2.gz FWEADPNFQYECOV-HZPDHXFCSA-N 1 0 381.314 2.719 20 0 GFADRO CC[N@@H+]1CC[C@@H](CNC(=O)Nc2cccc(Cl)c2S(=O)(=O)C(C)C)C1 ZINC000847184256 661580451 /nfs/dbraw/zinc/58/04/51/661580451.db2.gz TWBBBAFRXIGZJM-ZDUSSCGKSA-N 1 0 387.933 2.985 20 0 GFADRO O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1cn2c(Br)cnc2s1 ZINC000847255930 661584383 /nfs/dbraw/zinc/58/43/83/661584383.db2.gz NMQKKWVYWWFZQN-MNOVXSKESA-N 1 0 383.315 2.905 20 0 GFADRO O=C(N[C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1cn2c(Br)cnc2s1 ZINC000847255931 661584476 /nfs/dbraw/zinc/58/44/76/661584476.db2.gz NMQKKWVYWWFZQN-QWRGUYRKSA-N 1 0 383.315 2.905 20 0 GFADRO Nc1c(Cl)cc(NC(=O)C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)cc1Cl ZINC000847608105 661601676 /nfs/dbraw/zinc/60/16/76/661601676.db2.gz QIJCAAXARDVNQG-UONOGXRCSA-N 1 0 385.295 2.647 20 0 GFADRO COc1ccc(C(=O)OCC[C@H]2CC[N@H+](C)C2)cc1I ZINC000847824001 661611855 /nfs/dbraw/zinc/61/18/55/661611855.db2.gz IEBYIXNKOGJICL-LLVKDONJSA-N 1 0 389.233 2.798 20 0 GFADRO COc1ccc(C(=O)OCC[C@@H]2CC[N@H+](C)C2)c(I)c1 ZINC000847822828 661611985 /nfs/dbraw/zinc/61/19/85/661611985.db2.gz BIXQYBIOZVWFHF-NSHDSACASA-N 1 0 389.233 2.798 20 0 GFADRO C[N@@H+]1CC[C@H](CCOC(=O)COc2ccc(I)cc2)C1 ZINC000847829765 661612636 /nfs/dbraw/zinc/61/26/36/661612636.db2.gz ZONDOGGVLXAHAD-GFCCVEGCSA-N 1 0 389.233 2.555 20 0 GFADRO COCCCN(C(=O)c1nc(F)ccc1Br)C1CC[NH+](C)CC1 ZINC000848103632 661625010 /nfs/dbraw/zinc/62/50/10/661625010.db2.gz OSWMOARFZRREPC-UHFFFAOYSA-N 1 0 388.281 2.556 20 0 GFADRO COc1cc(/C=C/C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)cc(Br)c1O ZINC000848293657 661639469 /nfs/dbraw/zinc/63/94/69/661639469.db2.gz VXGHZZDDIANALJ-GHEOONOUSA-N 1 0 383.286 2.633 20 0 GFADRO COc1cc(/C=C\C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)cc(Br)c1O ZINC000848293658 661639477 /nfs/dbraw/zinc/63/94/77/661639477.db2.gz VXGHZZDDIANALJ-SIDSAAMKSA-N 1 0 383.286 2.633 20 0 GFADRO C[C@@H]1CN(Cn2cc(-c3ccc(Br)cc3)cn2)C[C@H](C)[N@H+]1CCO ZINC000848489294 661655080 /nfs/dbraw/zinc/65/50/80/661655080.db2.gz SOMHLQYLHJUGPP-GASCZTMLSA-N 1 0 393.329 2.657 20 0 GFADRO C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+]C[C@H]1CN(C2CC2)C(=O)O1 ZINC000848572620 661665917 /nfs/dbraw/zinc/66/59/17/661665917.db2.gz UYXABIJLGLSGQQ-NHYWBVRUSA-N 1 0 396.285 2.739 20 0 GFADRO Cc1cc(SC(C)(C)C)ccc1NC(=O)C(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000848602471 661667666 /nfs/dbraw/zinc/66/76/66/661667666.db2.gz DDHUMDHMJXOQOK-LBPRGKRZSA-N 1 0 377.432 2.830 20 0 GFADRO COC(=O)[C@H]1[C@@H]2C[N@@H+](Cc3cn(-c4cccc(Br)c4)nc3C)C[C@@H]21 ZINC000848912691 661688687 /nfs/dbraw/zinc/68/86/87/661688687.db2.gz IVAGOZRUOSMXBO-FVQHAEBGSA-N 1 0 390.281 2.794 20 0 GFADRO [NH2+]=C(NCCC1CCS(=O)(=O)CC1)NCc1cccc(C(F)(F)F)c1 ZINC000849052517 661690384 /nfs/dbraw/zinc/69/03/84/661690384.db2.gz HIMHWRYWXPNRQJ-UHFFFAOYSA-N 1 0 377.432 2.534 20 0 GFADRO CC(=O)NCc1ccc(C[NH2+]C[C@H](O)c2ccc(Br)cc2)cc1 ZINC000849327271 661706166 /nfs/dbraw/zinc/70/61/66/661706166.db2.gz JYJXRRMNSPWHSK-SFHVURJKSA-N 1 0 377.282 2.908 20 0 GFADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@H]2C(=O)NCc2cccc(Br)c2)cn1 ZINC000849497098 661733553 /nfs/dbraw/zinc/73/35/53/661733553.db2.gz MVJRUUGHMCXMPP-SJORKVTESA-N 1 0 391.313 2.534 20 0 GFADRO Cc1cc(Br)ncc1NC(=O)[C@@H]1CC[N@@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000849552918 661734151 /nfs/dbraw/zinc/73/41/51/661734151.db2.gz LTALMOUGLMJRIJ-ZIAGYGMSSA-N 1 0 392.301 2.560 20 0 GFADRO Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)Nc2cc(Br)ccc2F)cn1 ZINC000849509543 661734273 /nfs/dbraw/zinc/73/42/73/661734273.db2.gz ZEAXZJLVNNSSMW-UONOGXRCSA-N 1 0 395.276 2.996 20 0 GFADRO CC(C)[N@@H+]1CC[C@H](C(=O)N2CCC=C(Br)C2)[C@@H](c2cnn(C)c2)C1 ZINC000849585294 661734738 /nfs/dbraw/zinc/73/47/38/661734738.db2.gz BEHSQTITJFONLW-DLBZAZTESA-N 1 0 395.345 2.745 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(=O)Nc2cccc(Br)c2F)C1 ZINC000850391248 661773943 /nfs/dbraw/zinc/77/39/43/661773943.db2.gz JWEUKMVTHSSGRS-GHMZBOCLSA-N 1 0 386.265 2.516 20 0 GFADRO Clc1cc(C[NH2+]CC2SCCS2)ccc1OCCN1CCOCC1 ZINC000850401703 661775124 /nfs/dbraw/zinc/77/51/24/661775124.db2.gz GNAFQHLWVKINKI-UHFFFAOYSA-N 1 0 388.986 2.947 20 0 GFADRO COC(=O)CS(=O)(=O)Cc1ccc(C[NH2+][C@@H](C)C(C)(C)C(F)F)cc1 ZINC000850445606 661776461 /nfs/dbraw/zinc/77/64/61/661776461.db2.gz GAUHADNSJJTCKH-LBPRGKRZSA-N 1 0 377.453 2.544 20 0 GFADRO CCC(C)(C)[C@@H](C)[NH2+][C@@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000850503022 661779794 /nfs/dbraw/zinc/77/97/94/661779794.db2.gz ZXHAKJZBSBCIRT-UONOGXRCSA-N 1 0 390.571 2.888 20 0 GFADRO CCC(C)(C)[C@@H](C)[NH2+][C@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000850503023 661779929 /nfs/dbraw/zinc/77/99/29/661779929.db2.gz ZXHAKJZBSBCIRT-ZIAGYGMSSA-N 1 0 390.571 2.888 20 0 GFADRO COc1cc([C@H](C)[NH2+][C@H]2C[C@@H](O)C23CCC3)ccc1S(=O)(=O)C(F)F ZINC000850548061 661781240 /nfs/dbraw/zinc/78/12/40/661781240.db2.gz XYAHVQJGSXQIDS-NZVBXONLSA-N 1 0 375.437 2.646 20 0 GFADRO CC(C)[C@@H](CC[NH2+][C@@H](C)C1CCS(=O)(=O)CC1)NC(=O)OC(C)(C)C ZINC000850567035 661781863 /nfs/dbraw/zinc/78/18/63/661781863.db2.gz VKPKWTLYRJVBIM-GOEBONIOSA-N 1 0 376.563 2.729 20 0 GFADRO COc1ccc2nc(Cl)ccc2c1S(=O)(=O)N1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000850592467 661783018 /nfs/dbraw/zinc/78/30/18/661783018.db2.gz RMKGTEIGFVHPHQ-NEPJUHHUSA-N 1 0 383.901 2.645 20 0 GFADRO O=C(OC[C@@]12CC[N@H+](C1)CCC2)c1cc(Br)cc2c1OCCO2 ZINC000851106604 661806501 /nfs/dbraw/zinc/80/65/01/661806501.db2.gz DVUYTCREAMELCC-KRWDZBQOSA-N 1 0 382.254 2.863 20 0 GFADRO CC(C)[C@H]([NH3+])CCNC(=O)N1CCO[C@H](c2ccccc2Br)C1 ZINC000851678477 661828285 /nfs/dbraw/zinc/82/82/85/661828285.db2.gz ZXDMLEOPRYWXMD-CVEARBPZSA-N 1 0 384.318 2.905 20 0 GFADRO CCOP(=O)(OCC)[C@@H](O)C[N@@H+]1CCN(C(=O)OC(C)(C)C)C[C@H]1C ZINC000851766413 661831069 /nfs/dbraw/zinc/83/10/69/661831069.db2.gz BRQVWQCGENVJNI-ZIAGYGMSSA-N 1 0 380.422 2.512 20 0 GFADRO CC1(C)OC[C@H](C[N@@H+]2CCC[C@H](C(=O)Nc3ccc(Br)cn3)C2)O1 ZINC000851825730 661835361 /nfs/dbraw/zinc/83/53/61/661835361.db2.gz QCKHGDDRNHZTJK-JSGCOSHPSA-N 1 0 398.301 2.646 20 0 GFADRO C[C@H]1Cc2ccc(Br)cc2C[N@@H+]1C[C@@](O)(C(N)=O)c1ccccc1 ZINC000851884087 661842835 /nfs/dbraw/zinc/84/28/35/661842835.db2.gz AGVLUMGBBNCBKJ-DJJJIMSYSA-N 1 0 389.293 2.569 20 0 GFADRO CCN(CCn1cnc(Br)n1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000851935675 661846381 /nfs/dbraw/zinc/84/63/81/661846381.db2.gz FVYPAIRONJFFAH-INIZCTEOSA-N 1 0 378.318 2.637 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N1CCn2ncc(Br)c2C1 ZINC000851981297 661847740 /nfs/dbraw/zinc/84/77/40/661847740.db2.gz VKUBNDCQQVZVOW-CQSZACIVSA-N 1 0 398.349 2.825 20 0 GFADRO CCOP(=O)(OCC)[C@@H](O)C[N@H+]1[C@H](C)CN(C(=O)C(C)(C)C)C[C@@H]1C ZINC000852076512 661851782 /nfs/dbraw/zinc/85/17/82/661851782.db2.gz IULJBIQGNNDLOF-QLFBSQMISA-N 1 0 378.450 2.538 20 0 GFADRO CC(C)C[NH2+]C1(CO)CCN(C[C@@H](O)c2cccc(Br)c2)CC1 ZINC000852123806 661853635 /nfs/dbraw/zinc/85/36/35/661853635.db2.gz ZYPPWQXPFSRFSI-QGZVFWFLSA-N 1 0 385.346 2.555 20 0 GFADRO CC(C)(C)OC(=O)CC[C@H]1CCC[N@H+](CCn2cnc(Br)n2)C1 ZINC000852176627 661855838 /nfs/dbraw/zinc/85/58/38/661855838.db2.gz CJEAJOBIOVPKEL-CYBMUJFWSA-N 1 0 387.322 2.875 20 0 GFADRO CO[C@]1(CO)CCC[N@H+](C[C@@](C)(O)c2ccc(Br)cc2Cl)C1 ZINC000852409374 661863506 /nfs/dbraw/zinc/86/35/06/661863506.db2.gz ORZNTARLBNJHNU-HZPDHXFCSA-N 1 0 392.721 2.783 20 0 GFADRO NS(=O)(=O)c1ccc(CC[NH2+][C@H](CO)c2cccc(Cl)c2Cl)cc1 ZINC000852679648 661871266 /nfs/dbraw/zinc/87/12/66/661871266.db2.gz XJDKWBRRKCLPOB-OAHLLOKOSA-N 1 0 389.304 2.507 20 0 GFADRO COC(=O)NC1CC[NH+](C[C@@H](O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000852771983 661874131 /nfs/dbraw/zinc/87/41/31/661874131.db2.gz WJMGUVJGJMIOHK-GFCCVEGCSA-N 1 0 377.268 2.554 20 0 GFADRO CC(C)(C)n1ncc(C(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1Br ZINC000852819709 661875228 /nfs/dbraw/zinc/87/52/28/661875228.db2.gz FWEROXCAFNGLKT-OLZOCXBDSA-N 1 0 383.334 2.862 20 0 GFADRO [NH3+]C[C@@H]1CCCc2ccc(C(=O)N3CCn4c(Br)cnc4C3)cc21 ZINC000852822486 661875266 /nfs/dbraw/zinc/87/52/66/661875266.db2.gz QCSNEROPTPOYTB-AWEZNQCLSA-N 1 0 389.297 2.680 20 0 GFADRO CC[C@H]1CN(C(=O)c2cnn(-c3ccccc3)c2Br)CC[C@@H]1[NH3+] ZINC000852877879 661876218 /nfs/dbraw/zinc/87/62/18/661876218.db2.gz FEXUHFHVPODMNY-WFASDCNBSA-N 1 0 377.286 2.834 20 0 GFADRO [NH3+]CCC1CCN(C(=O)c2cnn(-c3ccccc3)c2Br)CC1 ZINC000852896397 661876662 /nfs/dbraw/zinc/87/66/62/661876662.db2.gz ZQZBCDZJEQJLIW-UHFFFAOYSA-N 1 0 377.286 2.836 20 0 GFADRO CC(C)(C)OC(=O)N1CCC[C@](O)(C[NH2+]CCC2SCCS2)CC1 ZINC000853123152 661883002 /nfs/dbraw/zinc/88/30/02/661883002.db2.gz WGEVXIIVKCVYJC-QGZVFWFLSA-N 1 0 376.588 2.924 20 0 GFADRO CC[NH+]1CCN(CCNc2cc(Br)cnc2Br)CC1 ZINC000853151329 661883824 /nfs/dbraw/zinc/88/38/24/661883824.db2.gz NTPYUHWNBHPOPE-UHFFFAOYSA-N 1 0 392.139 2.656 20 0 GFADRO C[C@@H](CNc1nc(Cl)nc2c(Br)c[nH]c21)C[NH+]1CCOCC1 ZINC000853362155 661887981 /nfs/dbraw/zinc/88/79/81/661887981.db2.gz SSLBLSMJCHLHDL-VIFPVBQESA-N 1 0 388.697 2.754 20 0 GFADRO OC[C@@H]1CCC[N@@H+]1Cc1ccccc1CNc1ncnc(F)c1Br ZINC000853474087 661889728 /nfs/dbraw/zinc/88/97/28/661889728.db2.gz GIWRQPJNOAQAOP-AWEZNQCLSA-N 1 0 395.276 2.947 20 0 GFADRO O=C1[C@H](c2cccc(Br)c2)CCN1C[N@@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC000853588527 661893747 /nfs/dbraw/zinc/89/37/47/661893747.db2.gz DYEKHPSVWBQGDB-VYDXJSESSA-N 1 0 379.298 2.691 20 0 GFADRO Fc1ccc(Br)nc1-c1noc(-c2c[nH]nc2[C@H]2CC[NH2+]C2)n1 ZINC000854155259 661916925 /nfs/dbraw/zinc/91/69/25/661916925.db2.gz STKUZVYVJGGHCM-ZETCQYMHSA-N 1 0 379.193 2.500 20 0 GFADRO CCOC(=O)[C@@H]1NCC[C@@H]1[NH2+]CC1(Cc2ccc(Br)cc2)CC1 ZINC000854229286 661919641 /nfs/dbraw/zinc/91/96/41/661919641.db2.gz JXTMPYTWYPXDDX-JKSUJKDBSA-N 1 0 381.314 2.655 20 0 GFADRO CC[NH+]1CCN(c2ccc(NC(=O)c3cc(Br)[nH]n3)cc2)CC1 ZINC000854268554 661921755 /nfs/dbraw/zinc/92/17/55/661921755.db2.gz XTYFPDRAMCYHSK-UHFFFAOYSA-N 1 0 378.274 2.566 20 0 GFADRO Cc1sc(Br)nc1C(=O)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000854329764 661924917 /nfs/dbraw/zinc/92/49/17/661924917.db2.gz CMUXMUODGWMFCF-LBPRGKRZSA-N 1 0 388.331 2.541 20 0 GFADRO C[NH+]1CCC(ONC(=O)c2c(F)c(F)c(Br)c(F)c2F)CC1 ZINC000854357595 661929172 /nfs/dbraw/zinc/92/91/72/661929172.db2.gz CGHYBGNDEQEFKW-UHFFFAOYSA-N 1 0 385.155 2.761 20 0 GFADRO C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1Cc3cc(Br)ccc3O1)C2 ZINC000854734646 661951940 /nfs/dbraw/zinc/95/19/40/661951940.db2.gz ALILZLPCARUZCR-WMZOPIPTSA-N 1 0 379.298 2.697 20 0 GFADRO CCN(C(=O)C[C@](O)(c1nc(C)cs1)C(F)(F)F)[C@H]1CC[N@H+](CC)C1 ZINC000855492336 661993342 /nfs/dbraw/zinc/99/33/42/661993342.db2.gz ZESWXRHIMBBSOB-WFASDCNBSA-N 1 0 379.448 2.534 20 0 GFADRO CC(C)[N@@H+]1CC[C@@H](C(=O)NCCC2SCCS2)[C@H](c2cnn(C)c2)C1 ZINC000856217618 662025607 /nfs/dbraw/zinc/02/56/07/662025607.db2.gz LBEWFNYFZHAMGH-CVEARBPZSA-N 1 0 382.599 2.546 20 0 GFADRO C[NH+](C)CCC[C@@H]1CN(C(=O)c2cnc(Cl)c(Br)c2)CCO1 ZINC000856429489 662033467 /nfs/dbraw/zinc/03/34/67/662033467.db2.gz HGRSEWOPXKHEPB-GFCCVEGCSA-N 1 0 390.709 2.680 20 0 GFADRO C[NH+](C)CCC[C@H]1CN(C(=O)[C@@H](O)c2cc(Cl)cc(Cl)c2)CCO1 ZINC000856430592 662033659 /nfs/dbraw/zinc/03/36/59/662033659.db2.gz ZKDJIQIQXZMNOH-HOTGVXAUSA-N 1 0 375.296 2.596 20 0 GFADRO CS(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@@H]2CCC[N@H+](CC3CC3)C2)c1 ZINC000856476314 662035258 /nfs/dbraw/zinc/03/52/58/662035258.db2.gz UVGPUWBFDCNMMW-AWEZNQCLSA-N 1 0 384.929 2.595 20 0 GFADRO C[C@H]([NH2+]C[C@@H](O)COC[C@H]1CCCO1)c1ccc(C(F)(F)F)nc1Cl ZINC000856779609 662043878 /nfs/dbraw/zinc/04/38/78/662043878.db2.gz AAEMCJRCCIXLFG-QJPTWQEYSA-N 1 0 382.810 2.961 20 0 GFADRO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NC[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC000857331993 662073740 /nfs/dbraw/zinc/07/37/40/662073740.db2.gz KFZUWTWXSZRMNX-DLBZAZTESA-N 1 0 389.323 2.936 20 0 GFADRO Cn1cncc1C(=O)N1C[C@@H]([NH+](C)C)CCc2cc(Br)ccc21 ZINC000857880167 662093099 /nfs/dbraw/zinc/09/30/99/662093099.db2.gz DHUOIAAGVWMMLV-AWEZNQCLSA-N 1 0 377.286 2.706 20 0 GFADRO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N1CCc2nccc(Br)c2C1 ZINC000857966346 662096232 /nfs/dbraw/zinc/09/62/32/662096232.db2.gz NMRZHZBEAXFTTE-QGZVFWFLSA-N 1 0 396.329 2.522 20 0 GFADRO COCO[C@H](C)c1cc(F)c(C[NH2+][C@@H]2CC(=O)N(C)C2)cc1Br ZINC000858120042 662099640 /nfs/dbraw/zinc/09/96/40/662099640.db2.gz WSRCJRFAEGBOHT-ZYHUDNBSSA-N 1 0 389.265 2.590 20 0 GFADRO COC1CC[NH+](C2(CNCc3cn(C)nc3Br)CCCC2)CC1 ZINC000858132005 662100294 /nfs/dbraw/zinc/10/02/94/662100294.db2.gz PLCYRDFZCUJQIN-UHFFFAOYSA-N 1 0 385.350 2.696 20 0 GFADRO CC[C@@H](C(=O)N1CCN(CC[NH+](C)C)CC1)c1ccc(Br)cc1 ZINC000858174562 662103348 /nfs/dbraw/zinc/10/33/48/662103348.db2.gz USYXDZOBICUHLE-QGZVFWFLSA-N 1 0 382.346 2.649 20 0 GFADRO C[C@H]1C[NH+](CCCNC(=O)c2ccc(SC(F)(F)F)nc2)C[C@H](C)O1 ZINC000858239052 662105551 /nfs/dbraw/zinc/10/55/51/662105551.db2.gz OLXNBRVVBXSSAU-RYUDHWBXSA-N 1 0 377.432 2.923 20 0 GFADRO CON(C)C(=O)[C@@H](C)[NH2+]Cc1cc(Br)cc(Br)c1 ZINC000858323388 662108486 /nfs/dbraw/zinc/10/84/86/662108486.db2.gz VXIZZXCJXSJARD-MRVPVSSYSA-N 1 0 380.080 2.710 20 0 GFADRO Cn1nc(Cl)c(C(=O)NCC2([NH+]3CCSCC3)CCCC2)c1Cl ZINC000858457776 662112071 /nfs/dbraw/zinc/11/20/71/662112071.db2.gz MLHFQJJEOSIOCO-UHFFFAOYSA-N 1 0 377.341 2.818 20 0 GFADRO O=C1Nc2ccc(Br)cc2CC[C@H]1[NH+]1CCC2(CC1)OCCO2 ZINC000859078195 662135826 /nfs/dbraw/zinc/13/58/26/662135826.db2.gz ZALAVTOWVZGMJT-OAHLLOKOSA-N 1 0 381.270 2.541 20 0 GFADRO CC[N@H+](CCNS(=O)(=O)c1ccc(NC(=O)OC)c(Cl)c1)C(C)C ZINC000859120697 662138899 /nfs/dbraw/zinc/13/88/99/662138899.db2.gz DVVKRRBUXSMEMR-UHFFFAOYSA-N 1 0 377.894 2.527 20 0 GFADRO CC(=O)OC1CC[NH+]([C@H]2CCc3cc(Br)ccc3NC2=O)CC1 ZINC000859205213 662144675 /nfs/dbraw/zinc/14/46/75/662144675.db2.gz WRNRDLOQWJCOKQ-INIZCTEOSA-N 1 0 381.270 2.730 20 0 GFADRO FC(F)(F)[C@@H]1Oc2ccccc2C[C@H]1[NH2+]CCn1cnc(Br)n1 ZINC000859501870 662165090 /nfs/dbraw/zinc/16/50/90/662165090.db2.gz HINKLEKMOVQYML-ZYHUDNBSSA-N 1 0 391.191 2.565 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)Nc2ccnc(Br)c2)CC[C@@H]1C(F)(F)F ZINC000859691876 662172763 /nfs/dbraw/zinc/17/27/63/662172763.db2.gz SGXIIKZUZCWOBO-SCZZXKLOSA-N 1 0 381.196 2.835 20 0 GFADRO O=C1[C@@H]([NH2+][C@H](CCO)c2cc(Cl)cc(Cl)c2)CCN1C1CCOCC1 ZINC000860046640 662184527 /nfs/dbraw/zinc/18/45/27/662184527.db2.gz BMYFUQAJDQVUSY-SJORKVTESA-N 1 0 387.307 2.786 20 0 GFADRO CC(C)[N@@H+]1CCO[C@H](COC(=O)[C@@H]2[C@@H]3Cc4c(cccc4Br)[C@@H]32)C1 ZINC000860650853 662208828 /nfs/dbraw/zinc/20/88/28/662208828.db2.gz BGCSZYIAVCEKJG-LGRHPFTQSA-N 1 0 394.309 2.987 20 0 GFADRO CS[C@@H]1CN(C(=O)c2cc(Br)cnc2F)C[C@H]1[NH+]1CCCC1 ZINC000860786323 662215572 /nfs/dbraw/zinc/21/55/72/662215572.db2.gz BMSHXVNQCQXCAN-CHWSQXEVSA-N 1 0 388.306 2.635 20 0 GFADRO COCC[N@@H+]1CCC[C@H]1COC(=O)[C@H]1CCOc2ccc(Br)cc21 ZINC000861037297 662225030 /nfs/dbraw/zinc/22/50/30/662225030.db2.gz SMRFBHHKBQZMDA-GJZGRUSLSA-N 1 0 398.297 2.969 20 0 GFADRO CC[C@H](C(=O)N1CCC[C@@](O)(C[NH+](C)C)C1)c1ccc(Br)cc1 ZINC000861354857 662242205 /nfs/dbraw/zinc/24/22/05/662242205.db2.gz CZZBIQCYAHWKCY-FUHWJXTLSA-N 1 0 383.330 2.858 20 0 GFADRO CO[C@@H]1C[N@H+](C)[C@](C)(COC(=O)c2c3ccc(Br)cc3nn2C)C1 ZINC000861357725 662242498 /nfs/dbraw/zinc/24/24/98/662242498.db2.gz TUDOQHSJUBNMJR-SJCJKPOMSA-N 1 0 396.285 2.602 20 0 GFADRO C[NH+]1CCC(n2ccc(NC(=O)c3cc(Br)cnc3F)n2)CC1 ZINC000861381941 662243060 /nfs/dbraw/zinc/24/30/60/662243060.db2.gz IATXIAJGYLTDEW-UHFFFAOYSA-N 1 0 382.237 2.699 20 0 GFADRO O=C(NCC[NH+]1CCCCC1)C(=O)Nc1cccc(SC(F)(F)F)c1 ZINC000861675588 662254791 /nfs/dbraw/zinc/25/47/91/662254791.db2.gz GZVZGILXPURUCN-UHFFFAOYSA-N 1 0 375.416 2.839 20 0 GFADRO Cc1ccnn1CC(=O)Nc1cc(Br)ccc1N(C)CC[NH+](C)C ZINC000862041721 662267295 /nfs/dbraw/zinc/26/72/95/662267295.db2.gz FCZYESGWCMWDFV-UHFFFAOYSA-N 1 0 394.317 2.591 20 0 GFADRO COC(=O)[C@H](Cc1ccccc1)[C@@H](C)[NH2+]Cc1cn(C)nc1Br ZINC000862360467 662282416 /nfs/dbraw/zinc/28/24/16/662282416.db2.gz MMADSKLZUDDJHH-IUODEOHRSA-N 1 0 380.286 2.693 20 0 GFADRO COCCC1CC[NH+](Cn2nc(Br)c(=O)c3ccccc32)CC1 ZINC000863269397 662317550 /nfs/dbraw/zinc/31/75/50/662317550.db2.gz GTIDUWJAJPKBIR-UHFFFAOYSA-N 1 0 380.286 2.865 20 0 GFADRO F[C@@H](c1nc(Cc2cc(Br)c3c(c2)OCCO3)no1)[C@@H]1CC[NH2+]C1 ZINC000863668497 662343240 /nfs/dbraw/zinc/34/32/40/662343240.db2.gz VGIGKOLNARQMFZ-QMTHXVAHSA-N 1 0 398.232 2.814 20 0 GFADRO C[C@@]1(Cc2noc(-c3nnn([C@H]4CC[NH2+]C4)c3C(F)F)n2)CC1(Cl)Cl ZINC000863678370 662343882 /nfs/dbraw/zinc/34/38/82/662343882.db2.gz SUAAESLBCRIUFD-WPPNPWJKSA-N 1 0 393.225 2.927 20 0 GFADRO C[NH+](C)C1(C)CCN(C(=O)[C@]2(C)CC2(Br)Br)CC1 ZINC000864082129 662354087 /nfs/dbraw/zinc/35/40/87/662354087.db2.gz PSZFONHKRUALHK-LBPRGKRZSA-N 1 0 382.140 2.825 20 0 GFADRO CC(C)(C)[C@@]1(C[NH3+])CCN(C(=O)c2nc(C3CC3)ncc2Br)C1 ZINC000864618536 662381744 /nfs/dbraw/zinc/38/17/44/662381744.db2.gz JUPJVGIEOMJSMW-QGZVFWFLSA-N 1 0 381.318 2.954 20 0 GFADRO C[N@@H+]1CC[C@H](CNC(=O)c2c(F)ccc(I)c2Cl)C1 ZINC000864960797 662392601 /nfs/dbraw/zinc/39/26/01/662392601.db2.gz RJAYSMOPBCNOEH-MRVPVSSYSA-N 1 0 396.631 2.765 20 0 GFADRO C[NH+](C)[C@H]1CCN(c2ccc(NCc3cccnc3Br)nc2)C1 ZINC000865290478 662410001 /nfs/dbraw/zinc/41/00/01/662410001.db2.gz FPRWKESRCTWRNU-HNNXBMFYSA-N 1 0 376.302 2.992 20 0 GFADRO Fc1ccc(Br)cc1CC[NH2+]Cc1cn(C[C@@H]2CCCO2)nn1 ZINC000865431259 662421238 /nfs/dbraw/zinc/42/12/38/662421238.db2.gz ANAFJRRDHIGUKY-HNNXBMFYSA-N 1 0 383.265 2.691 20 0 GFADRO O=S(=O)(N1CCC([NH2+]Cc2c(Cl)cncc2Cl)CC1)C(F)(F)F ZINC000865489609 662424927 /nfs/dbraw/zinc/42/49/27/662424927.db2.gz RCGULJNEWWJJDP-UHFFFAOYSA-N 1 0 392.230 2.792 20 0 GFADRO Cn1ncc2cc(C[NH2+]C[C@@H](CO)Cc3ccc(Br)cc3)cnc21 ZINC000865542582 662427858 /nfs/dbraw/zinc/42/78/58/662427858.db2.gz BJCRQKGCVRXGGF-HNNXBMFYSA-N 1 0 389.297 2.672 20 0 GFADRO Cn1ncc2cc(C[NH2+]C[C@H](CO)Cc3cccc(Br)c3)cnc21 ZINC000865543608 662428045 /nfs/dbraw/zinc/42/80/45/662428045.db2.gz SCVSZAZOXSYYJJ-OAHLLOKOSA-N 1 0 389.297 2.672 20 0 GFADRO CCCn1cc(C[NH2+]C[C@H](CO)Cc2ccc(C)c(Br)c2)nn1 ZINC000865591684 662431023 /nfs/dbraw/zinc/43/10/23/662431023.db2.gz KJZSHXKEBQZRBU-OAHLLOKOSA-N 1 0 381.318 2.700 20 0 GFADRO CC(C)(C)OC(=O)N1CCO[C@H](C[NH2+]Cc2cccnc2Br)C1 ZINC000865596118 662431443 /nfs/dbraw/zinc/43/14/43/662431443.db2.gz VBAYEAVLNGJFAR-CYBMUJFWSA-N 1 0 386.290 2.570 20 0 GFADRO Cc1ccnc(C[NH2+]CC(C)(C)[C@H]2COCC23OCCO3)c1Br ZINC000865601107 662431664 /nfs/dbraw/zinc/43/16/64/662431664.db2.gz YDOQJAKQVJKUFY-CQSZACIVSA-N 1 0 385.302 2.658 20 0 GFADRO Cn1ncc(Br)c1C[NH2+]C[C@@H](CC(F)F)NC(=O)OC(C)(C)C ZINC000865681044 662436156 /nfs/dbraw/zinc/43/61/56/662436156.db2.gz PYCNNLDBMZQBAI-SECBINFHSA-N 1 0 397.264 2.821 20 0 GFADRO C[C@](CO)(Cc1ccc(Br)cc1)[NH2+]Cc1cccc(C(N)=O)c1 ZINC000865715556 662438536 /nfs/dbraw/zinc/43/85/36/662438536.db2.gz BDKUHHQZNQDSMC-GOSISDBHSA-N 1 0 377.282 2.631 20 0 GFADRO C[C@](CO)(Cc1ccc(Br)cc1)[NH2+]Cc1cn(C2CCC2)nn1 ZINC000865715428 662438553 /nfs/dbraw/zinc/43/85/53/662438553.db2.gz RUUYCXVNEWCUIH-QGZVFWFLSA-N 1 0 379.302 2.849 20 0 GFADRO CC(C)[C@@H](CNC(=O)c1cc2c(ccnc2Cl)s1)N1CC[NH+](C)CC1 ZINC000865786673 662443418 /nfs/dbraw/zinc/44/34/18/662443418.db2.gz RBUPTJKASVXAPC-CQSZACIVSA-N 1 0 380.945 2.952 20 0 GFADRO Cn1cc(CC[NH2+]Cc2c(Cl)cccc2S(C)(=O)=O)c2cccnc21 ZINC000865811980 662444993 /nfs/dbraw/zinc/44/49/93/662444993.db2.gz FQPJEDNFNXZIGD-UHFFFAOYSA-N 1 0 377.897 2.963 20 0 GFADRO C[C@@H](Cc1ccc(F)cc1Br)[NH2+]Cc1nc2c(c(=O)[nH]1)COCC2 ZINC000865866002 662447840 /nfs/dbraw/zinc/44/78/40/662447840.db2.gz CCVCGGROKIFBBO-JTQLQIEISA-N 1 0 396.260 2.877 20 0 GFADRO NS(=O)(=O)c1cc(Br)ccc1N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000865918135 662451395 /nfs/dbraw/zinc/45/13/95/662451395.db2.gz BKCWWNIOLFCKTD-GXTWGEPZSA-N 1 0 388.331 2.525 20 0 GFADRO C[C@@H]([NH2+]C[C@]12COC(=O)N1CCOC2)c1cc(F)c(Br)cc1F ZINC000866523989 662479015 /nfs/dbraw/zinc/47/90/15/662479015.db2.gz XMRAALQJXADWGP-PSLIRLAXSA-N 1 0 391.212 2.599 20 0 GFADRO CC(C)(C[NH2+][C@H]1CCCOc2ccc(Br)cc21)CS(N)(=O)=O ZINC000866570740 662480745 /nfs/dbraw/zinc/48/07/45/662480745.db2.gz PJCZFRPCHSGDTK-ZDUSSCGKSA-N 1 0 391.331 2.567 20 0 GFADRO Cc1c([C@@H](C)[NH2+]CC(C)(C)CS(N)(=O)=O)cnn1-c1cccc(Cl)c1 ZINC000866569700 662480796 /nfs/dbraw/zinc/48/07/96/662480796.db2.gz BPROKYDWLDVIEA-GFCCVEGCSA-N 1 0 384.933 2.799 20 0 GFADRO CC(C)(C)[C@@]1(C[NH3+])CCN([C@H](C(N)=O)c2ccc(Br)cc2F)C1 ZINC000866708181 662490845 /nfs/dbraw/zinc/49/08/45/662490845.db2.gz YAFJAKKTBZQDSD-WMLDXEAASA-N 1 0 386.309 2.812 20 0 GFADRO COc1cccc(Br)c1CS(=O)(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000866738049 662493231 /nfs/dbraw/zinc/49/32/31/662493231.db2.gz MKJHDXYPZZRNJC-OAHLLOKOSA-N 1 0 399.310 2.577 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CCCN(S(=O)(=O)c2oc3ccccc3c2Br)C1 ZINC000866740367 662493327 /nfs/dbraw/zinc/49/33/27/662493327.db2.gz ROEWUORYWBOWQQ-MNOVXSKESA-N 1 0 387.299 2.943 20 0 GFADRO Cc1ccc(Br)c(CS(=O)(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)c1 ZINC000866739813 662493434 /nfs/dbraw/zinc/49/34/34/662493434.db2.gz JPHZSJHADZROOW-OLZOCXBDSA-N 1 0 375.332 2.647 20 0 GFADRO O=S(=O)(c1cc2nc(Cl)ncc2s1)N1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000866769249 662496286 /nfs/dbraw/zinc/49/62/86/662496286.db2.gz IZBDFOWFFAQOBU-JQWIXIFHSA-N 1 0 386.930 2.640 20 0 GFADRO [NH3+]CCC1CCN(S(=O)(=O)c2oc3ccccc3c2Br)CC1 ZINC000866775234 662497257 /nfs/dbraw/zinc/49/72/57/662497257.db2.gz XWLFHRAIEYNVIL-UHFFFAOYSA-N 1 0 387.299 2.945 20 0 GFADRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2ccc3onc(Cl)c3c2)CC[C@@H]1C(F)(F)F ZINC000866779705 662497768 /nfs/dbraw/zinc/49/77/68/662497768.db2.gz SCGZBNVDQJDVGS-KCJUWKMLSA-N 1 0 397.806 2.629 20 0 GFADRO COC(=O)c1cc(S(=O)(=O)N2CC[C@@](C[NH3+])(C(C)(C)C)C2)ccc1Cl ZINC000866815155 662501330 /nfs/dbraw/zinc/50/13/30/662501330.db2.gz LHOBADJCAGIMMA-KRWDZBQOSA-N 1 0 388.917 2.512 20 0 GFADRO C[NH+](C)CC1CCC(NC(=O)c2cc(Br)cn3ccnc23)CC1 ZINC000866892157 662506596 /nfs/dbraw/zinc/50/65/96/662506596.db2.gz QCRFUSYLARSXFR-UHFFFAOYSA-N 1 0 379.302 2.947 20 0 GFADRO CSC1(CNS(=O)(=O)c2ccc3onc(Cl)c3c2)CC[NH+](C)CC1 ZINC000867280139 662538618 /nfs/dbraw/zinc/53/86/18/662538618.db2.gz NACISKBIVMLHSB-UHFFFAOYSA-N 1 0 389.930 2.587 20 0 GFADRO CN(Cc1c(Cl)cccc1Cl)C(=O)C(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000867340471 662543405 /nfs/dbraw/zinc/54/34/05/662543405.db2.gz MAQKGSDJBQZHAH-LRDDRELGSA-N 1 0 384.307 2.504 20 0 GFADRO Cc1cccc(C[N@@H+]2CC[C@@H](NS(=O)(=O)Cc3ccc(Cl)nc3)C2)c1 ZINC000867651410 662565719 /nfs/dbraw/zinc/56/57/19/662565719.db2.gz WCEWKUGEZGIEMK-QGZVFWFLSA-N 1 0 379.913 2.737 20 0 GFADRO C[N@@H+]1CC[C@H]2CN(S(=O)(=O)c3cccc(Br)c3Cl)CC[C@H]21 ZINC000867809572 662578552 /nfs/dbraw/zinc/57/85/52/662578552.db2.gz SSKRACPTKDNIHY-CMPLNLGQSA-N 1 0 393.734 2.817 20 0 GFADRO Cc1csc(-c2ccc(S(=O)(=O)N3CC[C@H]4[C@@H](CC[N@H+]4C)C3)cc2)n1 ZINC000867812338 662579159 /nfs/dbraw/zinc/57/91/59/662579159.db2.gz WJHIMHMKKCIMFE-RDJZCZTQSA-N 1 0 377.535 2.833 20 0 GFADRO [NH3+][C@@H](C(=O)NC[C@@H]1COc2ccccc2C1)c1cccc(Br)c1 ZINC000867945198 662588622 /nfs/dbraw/zinc/58/86/22/662588622.db2.gz AHJMSQXOHLQNIL-SJKOYZFVSA-N 1 0 375.266 2.816 20 0 GFADRO COCCOc1ccc(CNC(=O)[C@@H]([NH3+])c2cccc(Br)c2)cc1 ZINC000867952181 662588989 /nfs/dbraw/zinc/58/89/89/662588989.db2.gz VLRRPPLYNJPJEZ-KRWDZBQOSA-N 1 0 393.281 2.791 20 0 GFADRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)c1c(F)ccc(I)c1Cl ZINC000867970109 662589909 /nfs/dbraw/zinc/58/99/09/662589909.db2.gz XTXKYDAKFNPXML-XVKPBYJWSA-N 1 0 396.631 2.812 20 0 GFADRO [NH3+][C@@H](C(=O)NCc1cccc2c1OCCCO2)c1cccc(Br)c1 ZINC000867976253 662590229 /nfs/dbraw/zinc/59/02/29/662590229.db2.gz HKQLSZONCCBQRH-MRXNPFEDSA-N 1 0 391.265 2.927 20 0 GFADRO Cn1ncc(C2CCC2)c1CNC(=O)[C@@H]([NH3+])c1cccc(Br)c1 ZINC000867985663 662590667 /nfs/dbraw/zinc/59/06/67/662590667.db2.gz KZZMFPOWGKQSGS-INIZCTEOSA-N 1 0 377.286 2.766 20 0 GFADRO Cn1ncc(C2CCC2)c1CNC(=O)[C@H]([NH3+])c1cccc(Br)c1 ZINC000867985664 662590692 /nfs/dbraw/zinc/59/06/92/662590692.db2.gz KZZMFPOWGKQSGS-MRXNPFEDSA-N 1 0 377.286 2.766 20 0 GFADRO O=C([C@@H]1[C@@H]2Cc3ccc(Br)cc3[C@@H]21)N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000868037434 662592069 /nfs/dbraw/zinc/59/20/69/662592069.db2.gz SKJJGNRFPHDNDV-ARYPMIFLSA-N 1 0 375.310 2.935 20 0 GFADRO CS(=O)(=O)c1cc(C(=O)N2C[C@@H](C[NH3+])Cc3ccccc32)ccc1Cl ZINC000868047937 662592552 /nfs/dbraw/zinc/59/25/52/662592552.db2.gz WITQOBDKTOPMBJ-GFCCVEGCSA-N 1 0 378.881 2.521 20 0 GFADRO O=C(Nc1cc(Br)ccc1-n1cccn1)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000868120566 662595037 /nfs/dbraw/zinc/59/50/37/662595037.db2.gz IXZMKKQDWCUDMT-UKRRQHHQSA-N 1 0 390.285 2.993 20 0 GFADRO COc1cc(NC(=O)N2CCC[C@H]3[NH2+]CC[C@@H]32)cc(OC)c1Br ZINC000868143856 662596019 /nfs/dbraw/zinc/59/60/19/662596019.db2.gz YXFILHKNYQFIDQ-NEPJUHHUSA-N 1 0 384.274 2.825 20 0 GFADRO CNC(=O)c1cccc(NC(=O)NC[C@@H]2CCC(C)(C)C[NH2+]2)c1Br ZINC000868157692 662596974 /nfs/dbraw/zinc/59/69/74/662596974.db2.gz DXNGFVPFPCFTJE-NSHDSACASA-N 1 0 397.317 2.708 20 0 GFADRO COC[C@H](NC(=O)NC[C@H]1CC[N@@H+](C2CC2)C1)c1cccc(Br)c1 ZINC000868355870 662602801 /nfs/dbraw/zinc/60/28/01/662602801.db2.gz SEMUPUZSDCCQEY-DYVFJYSZSA-N 1 0 396.329 2.920 20 0 GFADRO COC[C@H](NC(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1)c1cccc(Br)c1 ZINC000868374780 662603549 /nfs/dbraw/zinc/60/35/49/662603549.db2.gz UBVQOBFEQGFCNX-WQVCFCJDSA-N 1 0 384.318 2.919 20 0 GFADRO COc1cc(Br)ccc1CNC(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000868518647 662607926 /nfs/dbraw/zinc/60/79/26/662607926.db2.gz RPVSLMOQJDAOEC-ZFWWWQNUSA-N 1 0 382.302 2.693 20 0 GFADRO CC(=O)N[C@H](C(=O)NC(C)(C)CCC[NH+](C)C)c1cccc(Br)c1 ZINC000868719752 662616101 /nfs/dbraw/zinc/61/61/01/662616101.db2.gz GDXHHZBXBKYLEU-INIZCTEOSA-N 1 0 398.345 2.863 20 0 GFADRO C[C@H](CCNC(=O)c1cc(Br)ncc1Br)[NH+](C)C ZINC000869241545 662637273 /nfs/dbraw/zinc/63/72/73/662637273.db2.gz IAJFQQHEBIAKRG-MRVPVSSYSA-N 1 0 379.096 2.677 20 0 GFADRO CC[C@@H]1CN(C(=O)c2cc(Br)ncc2Br)C[C@H](C)[NH2+]1 ZINC000869311163 662641026 /nfs/dbraw/zinc/64/10/26/662641026.db2.gz QRGKVVSLLCXKAV-DTWKUNHWSA-N 1 0 391.107 2.819 20 0 GFADRO COCCN(CC1CC[NH+](C)CC1)C(=O)c1ccc(C)nc1Br ZINC000869764741 662660674 /nfs/dbraw/zinc/66/06/74/662660674.db2.gz YFNHNJXALDKRPZ-UHFFFAOYSA-N 1 0 384.318 2.583 20 0 GFADRO Cn1ncc(Br)c1CNC(=O)c1cccc([C@@H]2CCC[N@H+](C)C2)c1 ZINC000870314350 662683603 /nfs/dbraw/zinc/68/36/03/662683603.db2.gz IWKJQRZXVBAYMV-OAHLLOKOSA-N 1 0 391.313 2.922 20 0 GFADRO CC[C@@H](C[NH+](C)C)OC(=O)c1cnn(C(C)C)c1I ZINC000870544081 662694423 /nfs/dbraw/zinc/69/44/23/662694423.db2.gz BECPLVVFGCBERU-JTQLQIEISA-N 1 0 379.242 2.566 20 0 GFADRO COC(=O)C[C@@H](NC(=O)[C@H]1CC[C@@H]([NH3+])CC1)c1ccc(Br)cc1 ZINC000870862545 662703768 /nfs/dbraw/zinc/70/37/68/662703768.db2.gz UJCRJMCHFSEDFE-VHDGCEQUSA-N 1 0 383.286 2.687 20 0 GFADRO [NH3+][C@H](C(=O)NCc1nccn1CC(F)(F)F)c1cccc(Br)c1 ZINC000870880917 662704579 /nfs/dbraw/zinc/70/45/79/662704579.db2.gz UJKCQPBBKBLMAT-LBPRGKRZSA-N 1 0 391.191 2.524 20 0 GFADRO [NH3+][C@@H](C(=O)NCc1nnc(C2CC2)n1C1CC1)c1cccc(Br)c1 ZINC000870930294 662708756 /nfs/dbraw/zinc/70/87/56/662708756.db2.gz SUNDBMXHVYVPHC-OAHLLOKOSA-N 1 0 390.285 2.569 20 0 GFADRO [NH3+][C@@H](CNC(=O)c1c(F)ccc(I)c1Cl)C1CC1 ZINC000870939107 662709295 /nfs/dbraw/zinc/70/92/95/662709295.db2.gz KGFRRWFRVKYFQR-VIFPVBQESA-N 1 0 382.604 2.551 20 0 GFADRO COCC[NH2+]C1CCN(C(=O)[C@H]2[C@@H]3c4cc(Br)ccc4C[C@H]23)CC1 ZINC000870948617 662711117 /nfs/dbraw/zinc/71/11/17/662711117.db2.gz LEEDJGFYISMAKS-RCCFBDPRSA-N 1 0 393.325 2.562 20 0 GFADRO O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cc(F)ccc1I ZINC000870976308 662712075 /nfs/dbraw/zinc/71/20/75/662712075.db2.gz YOAHTDRVCNRGQW-YHPBZONMSA-N 1 0 388.224 2.691 20 0 GFADRO Cn1c(-c2cc(F)ccc2Br)nnc1N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000871043046 662713975 /nfs/dbraw/zinc/71/39/75/662713975.db2.gz OMUSZPNTXOOHNH-NHYWBVRUSA-N 1 0 394.292 2.914 20 0 GFADRO Cc1ccc(C(F)(F)F)cc1S(=O)(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000871813911 662735246 /nfs/dbraw/zinc/73/52/46/662735246.db2.gz LEYATYHSUHZZKL-ONGXEEELSA-N 1 0 390.349 2.772 20 0 GFADRO Cc1ncsc1CCS(=O)(=O)N1CCC[C@@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000871822785 662736112 /nfs/dbraw/zinc/73/61/12/662736112.db2.gz LWNNESJVTTVCKQ-RDJZCZTQSA-N 1 0 385.599 2.943 20 0 GFADRO CC(C)(C)[S@](C)(=O)=NS(=O)(=O)N1CCC[C@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000871822863 662736126 /nfs/dbraw/zinc/73/61/26/662736126.db2.gz ODPUNCIRKMLNQJ-WDNXAPGXSA-N 1 0 393.619 2.747 20 0 GFADRO CC(C)(O)C[C@H](O)C[NH2+]Cc1cc(Br)ccc1Br ZINC000872206616 662757790 /nfs/dbraw/zinc/75/77/90/662757790.db2.gz YCFMAEIOAMOYMH-NSHDSACASA-N 1 0 381.108 2.823 20 0 GFADRO COC[C@H](N[C@H]1CCN(CC(F)(F)F)C1=O)c1cccc(Br)c1 ZINC000871924025 662742459 /nfs/dbraw/zinc/74/24/59/662742459.db2.gz ANCBCFDDMRXNLB-STQMWFEESA-N 1 0 395.219 2.889 20 0 GFADRO COC[C@H]([NH2+][C@H](Cc1ccccc1)C(N)=O)c1cccc(Br)c1 ZINC000871924601 662742670 /nfs/dbraw/zinc/74/26/70/662742670.db2.gz LWBYOCLLCNOANV-SJORKVTESA-N 1 0 377.282 2.823 20 0 GFADRO Cc1cc(NC(=O)[C@H](C)Nc2cc3n(n2)CC[N@H+](C)C3)ccc1Br ZINC000871928987 662742782 /nfs/dbraw/zinc/74/27/82/662742782.db2.gz PCCLMCDZUHQUPS-LBPRGKRZSA-N 1 0 392.301 2.839 20 0 GFADRO CC(C)(O)C[C@H](O)C[NH2+]CC1(c2cccc(Br)c2)CCOCC1 ZINC000871975670 662748281 /nfs/dbraw/zinc/74/82/81/662748281.db2.gz XRPNCUZSHZNZSD-INIZCTEOSA-N 1 0 386.330 2.609 20 0 GFADRO CCNC(=O)N1CC[C@H]([NH2+][C@H](c2cccc(Br)c2)[C@@H]2CCOC2)C1 ZINC000872049964 662754632 /nfs/dbraw/zinc/75/46/32/662754632.db2.gz XNZFVPXFMJITSP-HYVNUMGLSA-N 1 0 396.329 2.920 20 0 GFADRO OC1CCN(CC[NH2+][C@H](c2cccc(Br)c2)[C@@H]2CCOC2)CC1 ZINC000872077206 662755436 /nfs/dbraw/zinc/75/54/36/662755436.db2.gz COEBGIDZJCPJKV-CRAIPNDOSA-N 1 0 383.330 2.573 20 0 GFADRO Brc1cccc([C@@H]([NH2+]C2CN(c3ccncn3)C2)[C@H]2CCOC2)c1 ZINC000872091236 662755805 /nfs/dbraw/zinc/75/58/05/662755805.db2.gz HHVFUZFXNMEHOP-KBXCAEBGSA-N 1 0 389.297 2.795 20 0 GFADRO CN(Cc1cc(Br)c(Cl)c(Br)c1)C[C@H](O)C[NH3+] ZINC000872142558 662756448 /nfs/dbraw/zinc/75/64/48/662756448.db2.gz AGNNNFOXSNLIGH-MRVPVSSYSA-N 1 0 386.515 2.616 20 0 GFADRO C[C@H](C(=O)Nc1ccccc1Br)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000872152148 662757038 /nfs/dbraw/zinc/75/70/38/662757038.db2.gz ZOZHRXFIPNPUNQ-VWYCJHECSA-N 1 0 394.235 2.845 20 0 GFADRO Cc1cnn([C@H]2CCC[NH2+]C2)c1-c1nc(-c2ccc(Br)cn2)no1 ZINC000872177656 662757406 /nfs/dbraw/zinc/75/74/06/662757406.db2.gz MCBBWYCZCBPSCY-LBPRGKRZSA-N 1 0 389.257 2.991 20 0 GFADRO O=C(NCc1noc(/C=C\[C@H]2CCC[NH2+]C2)n1)c1ccc(Br)cc1 ZINC000872181923 662757502 /nfs/dbraw/zinc/75/75/02/662757502.db2.gz RYUVWVJAUWYUSH-CPWLGJMPSA-N 1 0 391.269 2.775 20 0 GFADRO [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)NC[C@H]2CCN(c3ccc(Br)cc3)C2)C1 ZINC000872279482 662759714 /nfs/dbraw/zinc/75/97/14/662759714.db2.gz IHEOSFNJGUPJHA-ZFHGCVPZSA-N 1 0 378.314 2.519 20 0 GFADRO O=C1NCCC12CC[NH+](Cn1cc(-c3ccc(Br)cc3)cn1)CC2 ZINC000872789526 662788633 /nfs/dbraw/zinc/78/86/33/662788633.db2.gz VHNWWSZXFJUABI-UHFFFAOYSA-N 1 0 389.297 2.872 20 0 GFADRO CSc1ccc(Cl)cc1NC(=O)C(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000873102759 662799853 /nfs/dbraw/zinc/79/98/53/662799853.db2.gz AAAJURPFHUSOHG-WCBMZHEXSA-N 1 0 395.834 2.596 20 0 GFADRO C[N@@H+]1CCC[C@@H](CCNC(=O)C(=O)Nc2cc(Cl)cc(Cl)c2F)C1 ZINC000873915788 662818358 /nfs/dbraw/zinc/81/83/58/662818358.db2.gz MUTXYMBVORYMCB-JTQLQIEISA-N 1 0 376.259 2.919 20 0 GFADRO Cc1nc(NC(=O)C[C@@H]2CC[N@@H+](C)C2)sc1C1N=NC(=S)N1C1CC1 ZINC000874090137 662822464 /nfs/dbraw/zinc/82/24/64/662822464.db2.gz PHEDSLMZBNDKDW-JTQLQIEISA-N 1 0 378.527 2.614 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)c1cc(N)nc(Br)c1)c1ccc(F)cc1 ZINC000874101548 662822713 /nfs/dbraw/zinc/82/27/13/662822713.db2.gz JZMVOFQPGWKHMX-ZDUSSCGKSA-N 1 0 381.249 2.598 20 0 GFADRO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)[C@]1(C)CC1(Br)Br ZINC000874823124 662837334 /nfs/dbraw/zinc/83/73/34/662837334.db2.gz FVDYMDSERGBKAE-FOGDFJRCSA-N 1 0 380.124 2.578 20 0 GFADRO Cn1nccc1CCNC(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000875494000 662846830 /nfs/dbraw/zinc/84/68/30/662846830.db2.gz HMORUGFOYZLKGO-MRXNPFEDSA-N 1 0 384.311 2.872 20 0 GFADRO Cc1ccc(OC(=O)[C@@H]2CC[N@@H+](C)C[C@H]2c2cnn(C)c2)c(Br)n1 ZINC000875559691 662848156 /nfs/dbraw/zinc/84/81/56/662848156.db2.gz XVWCERGRIWWIDI-KGLIPLIRSA-N 1 0 393.285 2.527 20 0 GFADRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(Cc2cccnc2Br)CC1 ZINC000876653139 662864241 /nfs/dbraw/zinc/86/42/41/662864241.db2.gz OLILVAKOULXVCX-IYBDPMFKSA-N 1 0 381.362 2.835 20 0 GFADRO C[C@H](NC(=O)[C@@H](N)C[NH+](C)C)c1nc(-c2ccc(Br)cc2)cs1 ZINC000876694586 662864742 /nfs/dbraw/zinc/86/47/42/662864742.db2.gz SSGSRTLBINMSSZ-GWCFXTLKSA-N 1 0 397.342 2.639 20 0 GFADRO O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1cc2c(ccnc2Cl)s1 ZINC000876842002 662867202 /nfs/dbraw/zinc/86/72/02/662867202.db2.gz WPVYOKALMVPNCK-LBPRGKRZSA-N 1 0 392.834 2.516 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2ccc(SC(F)(F)F)nc2)CC1 ZINC000876867478 662867569 /nfs/dbraw/zinc/86/75/69/662867569.db2.gz WOQNLIZODSQSLM-OCCSQVGLSA-N 1 0 375.416 2.662 20 0 GFADRO CCN1CC[C@H](NC(=O)[C@@H]2[C@H](C[NH3+])C2(F)F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000876892047 662867807 /nfs/dbraw/zinc/86/78/07/662867807.db2.gz GFHQAVLRJMUDBR-HJPIBITLSA-N 1 0 375.822 2.571 20 0 GFADRO O=C(NCc1noc(-c2cccc(Br)c2)n1)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000876910684 662867891 /nfs/dbraw/zinc/86/78/91/662867891.db2.gz JBMLMJSSNDNOQJ-DYVFJYSZSA-N 1 0 391.269 2.648 20 0 GFADRO CCn1ncc(C(=O)NCC2([NH3+])C3CC4CC(C3)CC2C4)c1Br ZINC000876926531 662868239 /nfs/dbraw/zinc/86/82/39/662868239.db2.gz YCXMGDIIFRALPB-UHFFFAOYSA-N 1 0 381.318 2.549 20 0 GFADRO O=C(NC[C@H]1CSc2ccccc2O1)c1csc(C2CC[NH2+]CC2)n1 ZINC000876934585 662868344 /nfs/dbraw/zinc/86/83/44/662868344.db2.gz KFWDZAAVACXXTI-ZDUSSCGKSA-N 1 0 375.519 2.893 20 0 GFADRO O=C(NCc1cc(Cl)cc(I)c1)[C@@H](F)[C@H]1CC[NH2+]C1 ZINC000876931334 662868394 /nfs/dbraw/zinc/86/83/94/662868394.db2.gz LULNLDMFXNOSID-CABZTGNLSA-N 1 0 396.631 2.508 20 0 GFADRO O=C(NCc1cc(Cl)ccc1I)[C@H](F)[C@@H]1CC[NH2+]C1 ZINC000876959795 662868594 /nfs/dbraw/zinc/86/85/94/662868594.db2.gz PDVPKOJCQKKSNV-PRHODGIISA-N 1 0 396.631 2.508 20 0 GFADRO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)[C@H]2C[C@]2(C)Br)cc1F ZINC000876966499 662868726 /nfs/dbraw/zinc/86/87/26/662868726.db2.gz RYWHWVXDYQCMBX-IFOZYUSPSA-N 1 0 385.277 2.570 20 0 GFADRO O=C([C@@H](F)[C@H]1CC[NH2+]C1)N1CCc2[nH]c3ccc(Br)cc3c2C1 ZINC000876963519 662868743 /nfs/dbraw/zinc/86/87/43/662868743.db2.gz QLQOLXKIEYYREN-QFYYESIMSA-N 1 0 380.261 2.763 20 0 GFADRO COc1ncc(Br)cc1C[NH2+]C1CCN(C(=O)CC(C)C)CC1 ZINC000876971859 662868977 /nfs/dbraw/zinc/86/89/77/662868977.db2.gz FFMQHFASVYBRCH-UHFFFAOYSA-N 1 0 384.318 2.979 20 0 GFADRO C[C@H]1CN(C(=O)c2csc(C3CC[NH2+]CC3)n2)C[C@@H](CC(F)(F)F)O1 ZINC000876978468 662869062 /nfs/dbraw/zinc/86/90/62/662869062.db2.gz LDGSEQXJLFZVKQ-CMPLNLGQSA-N 1 0 377.432 2.792 20 0 GFADRO O=C([C@@H]1C[NH2+]C[C@H]1c1ccc(Cl)cc1)N1CCO[C@H](CC(F)(F)F)C1 ZINC000876979149 662869137 /nfs/dbraw/zinc/86/91/37/662869137.db2.gz VRAJYESTOIMCSO-QLFBSQMISA-N 1 0 376.806 2.823 20 0 GFADRO COc1cccc([C@@H](CNC(=O)[C@@H]([NH3+])c2cccc(Br)c2)OC)c1 ZINC000876990387 662869368 /nfs/dbraw/zinc/86/93/68/662869368.db2.gz ZXXHPUJLQFNXHI-SJORKVTESA-N 1 0 393.281 2.961 20 0 GFADRO COc1cc(Br)ccc1[C@@H]1CCCN1C(=O)CO[C@H]1CCC[NH2+]C1 ZINC000877010570 662869565 /nfs/dbraw/zinc/86/95/65/662869565.db2.gz DEDHHAGWVQOAOA-HOCLYGCPSA-N 1 0 397.313 2.890 20 0 GFADRO COc1cc(Br)ccc1[C@H]1CCCN1C(=O)CO[C@@H]1CCC[NH2+]C1 ZINC000877010568 662869598 /nfs/dbraw/zinc/86/95/98/662869598.db2.gz DEDHHAGWVQOAOA-GDBMZVCRSA-N 1 0 397.313 2.890 20 0 GFADRO NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNCc3nc(Cl)cs3)c2)C1 ZINC000877026444 662869788 /nfs/dbraw/zinc/86/97/88/662869788.db2.gz CYDNNWWBMXIGLZ-HNNXBMFYSA-N 1 0 378.929 2.784 20 0 GFADRO COC(=O)c1ccc(C[NH2+]CCS(=O)(=O)C(C)(C)C)cc1Br ZINC000877034995 662869955 /nfs/dbraw/zinc/86/99/55/662869955.db2.gz BNXSKYQALOXVOG-UHFFFAOYSA-N 1 0 392.315 2.539 20 0 GFADRO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000877049268 662870214 /nfs/dbraw/zinc/87/02/14/662870214.db2.gz BJHANVLQMGMPAX-BXKDBHETSA-N 1 0 379.254 2.734 20 0 GFADRO [NH3+]CCCOCCNC(=O)c1ccsc1NC(=O)c1ccccc1Cl ZINC000877051912 662870326 /nfs/dbraw/zinc/87/03/26/662870326.db2.gz OBESJLUBSYWNRL-UHFFFAOYSA-N 1 0 381.885 2.749 20 0 GFADRO CC(C)(Sc1ccc(Br)cc1)C(=O)NCCOCCC[NH3+] ZINC000877052449 662870343 /nfs/dbraw/zinc/87/03/43/662870343.db2.gz WZGPDSGURNQKCK-UHFFFAOYSA-N 1 0 375.332 2.801 20 0 GFADRO C[C@H]([NH2+]Cc1ccc(S(N)(=O)=O)s1)[C@@H](O)c1c(Cl)cccc1Cl ZINC000877067384 662870574 /nfs/dbraw/zinc/87/05/74/662870574.db2.gz CQHJAYVEEOOBCF-RMLUDKJBSA-N 1 0 395.333 2.914 20 0 GFADRO C[C@H]([NH2+]Cc1cccc(S(N)(=O)=O)c1)[C@@H](O)c1c(Cl)cccc1Cl ZINC000877067799 662870648 /nfs/dbraw/zinc/87/06/48/662870648.db2.gz IXFSIOMHVKSMGT-MGPLVRAMSA-N 1 0 389.304 2.853 20 0 GFADRO C[C@H]1C[C@@H]([NH2+]Cc2cc3nc(Cl)ccc3s2)C(=O)N1c1cnn(C)c1 ZINC000877070351 662870688 /nfs/dbraw/zinc/87/06/88/662870688.db2.gz NQMNBEABAWYCCY-IINYFYTJSA-N 1 0 375.885 2.967 20 0 GFADRO CCO[P@](C)(=O)CC[C@@H](C)[NH2+]C1CCN(S(=O)(=O)CC(C)C)CC1 ZINC000877140959 662871679 /nfs/dbraw/zinc/87/16/79/662871679.db2.gz CGJCXQAAVLMGED-CMJOXMDJSA-N 1 0 382.507 2.749 20 0 GFADRO O=C(c1[nH]nc(-c2ccccc2)c1Br)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000877283039 662873169 /nfs/dbraw/zinc/87/31/69/662873169.db2.gz UNUMDKVWYNLJPJ-CHWSQXEVSA-N 1 0 375.270 2.806 20 0 GFADRO [NH3+][C@H](C(=O)NCCOC(F)(F)C(F)(F)F)c1cccc(Br)c1 ZINC000877313063 662873343 /nfs/dbraw/zinc/87/33/43/662873343.db2.gz QASMJDSTZRESBQ-VIFPVBQESA-N 1 0 391.134 2.737 20 0 GFADRO COc1ccc(Br)c(C(=O)NC[C@H]2Cc3ccccc3C[NH2+]2)c1 ZINC000877347189 662874126 /nfs/dbraw/zinc/87/41/26/662874126.db2.gz RUTXUCGHCXYPHQ-CQSZACIVSA-N 1 0 375.266 2.902 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)c2cc(Cl)nc(N3CCCC3)c2)C[C@H]1C(F)(F)F ZINC000877357990 662874359 /nfs/dbraw/zinc/87/43/59/662874359.db2.gz AOQVLHRHFHYIHG-NWDGAFQWSA-N 1 0 376.810 2.544 20 0 GFADRO COCCOc1ccc(Cl)cc1C(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000877362494 662874603 /nfs/dbraw/zinc/87/46/03/662874603.db2.gz DALDITDSNVXOTD-GXFFZTMASA-N 1 0 380.794 2.574 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)c2sc(N3CCCC3)nc2Cl)C[C@H]1C(F)(F)F ZINC000877363388 662874616 /nfs/dbraw/zinc/87/46/16/662874616.db2.gz DETJFLDVNXMXNT-RKDXNWHRSA-N 1 0 382.839 2.606 20 0 GFADRO CC(C)c1n[nH]c(C(=O)N2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1Br ZINC000877365367 662874729 /nfs/dbraw/zinc/87/47/29/662874729.db2.gz PVEOFYGHTJSTNL-YUMQZZPRSA-N 1 0 383.212 2.505 20 0 GFADRO C[C@@]([NH3+])(C(=O)N1CCO[C@@H](C(F)(F)F)CC1)c1ccc(Br)cc1 ZINC000877383425 662875124 /nfs/dbraw/zinc/87/51/24/662875124.db2.gz ZYKVHSRRBYEKIS-OCCSQVGLSA-N 1 0 395.219 2.803 20 0 GFADRO O=C(N[C@@]12CCC[C@@H]1[NH2+]CC2)c1ccc(-n2cc(Br)cn2)cc1 ZINC000877394267 662875369 /nfs/dbraw/zinc/87/53/69/662875369.db2.gz CVEVGJNIFJUDSP-DOTOQJQBSA-N 1 0 375.270 2.649 20 0 GFADRO CC(=O)N[C@H](C(=O)N(C)CCCCCC[NH3+])c1cccc(Br)c1 ZINC000877435000 662875851 /nfs/dbraw/zinc/87/58/51/662875851.db2.gz MJLCASSKPDOORH-INIZCTEOSA-N 1 0 384.318 2.604 20 0 GFADRO CCO[P@](C)(=O)CC[C@H](C)[NH2+]C1CCN(S(=O)(=O)C(C)(C)C)CC1 ZINC000877475188 662876624 /nfs/dbraw/zinc/87/66/24/662876624.db2.gz DHVPVWVAZJPQRT-PSLXWICFSA-N 1 0 382.507 2.892 20 0 GFADRO CCOP(=O)(CCC[NH+]1CCC(S(=O)(=O)N2CCCC2)CC1)OCC ZINC000877500871 662877257 /nfs/dbraw/zinc/87/72/57/662877257.db2.gz FYUXOPJLBSJDJF-UHFFFAOYSA-N 1 0 396.490 2.533 20 0 GFADRO Cn1cc([C@@H]2C[N@H+](Cc3cccnc3Br)CC23CCOCC3)cn1 ZINC000877563132 662878904 /nfs/dbraw/zinc/87/89/04/662878904.db2.gz GNQUCCNDDGFRBY-INIZCTEOSA-N 1 0 391.313 2.974 20 0 GFADRO CCN(OC)C(=O)C[NH2+][C@H]1CCN(C)[C@@H](c2ccc(Br)cc2)C1 ZINC000877607999 662879875 /nfs/dbraw/zinc/87/98/75/662879875.db2.gz OISZGVBIHBUMPK-JKSUJKDBSA-N 1 0 384.318 2.584 20 0 GFADRO CCn1ncc(C[NH2+][C@H]2CCN(C)[C@H](c3ccc(Br)cc3)C2)n1 ZINC000877648915 662880764 /nfs/dbraw/zinc/88/07/64/662880764.db2.gz WCAOVPZQLGBEKI-RDJZCZTQSA-N 1 0 378.318 2.986 20 0 GFADRO CCO[P@](C)(=O)CC[C@H](C)[NH2+]C[C@H]1COCCN1C(=O)OC(C)(C)C ZINC000877655855 662880895 /nfs/dbraw/zinc/88/08/95/662880895.db2.gz MZDNEDKEEKPHNM-XHQUFGICSA-N 1 0 378.450 2.935 20 0 GFADRO CN(C)C[C@@H]([NH2+]CC1CCS(=O)(=O)CC1)c1cccc(C(F)(F)F)c1 ZINC000877663922 662881254 /nfs/dbraw/zinc/88/12/54/662881254.db2.gz IEXFURBHWJUUPX-MRXNPFEDSA-N 1 0 378.460 2.723 20 0 GFADRO CCOC(=O)[C@]1(C[NH2+]Cc2c(Cl)n(C)nc2C(F)(F)F)CCCOC1 ZINC000877698555 662882219 /nfs/dbraw/zinc/88/22/19/662882219.db2.gz LKSRZYZXAFMMGM-AWEZNQCLSA-N 1 0 383.798 2.542 20 0 GFADRO COC(=O)[C@@H]1OCC[C@@H]1C[NH2+]Cc1nc(-c2cccc(Br)c2)c[nH]1 ZINC000877727141 662882517 /nfs/dbraw/zinc/88/25/17/662882517.db2.gz QMPPWABRYQIPIU-MLGOLLRUSA-N 1 0 394.269 2.507 20 0 GFADRO COC[C@H]([NH2+]CC1CCS(=O)(=O)CC1)c1cccc(Br)c1 ZINC000877759201 662883011 /nfs/dbraw/zinc/88/30/11/662883011.db2.gz YKCDVTFKASGTLM-HNNXBMFYSA-N 1 0 376.316 2.551 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+][C@@H]2[C@H]3Cc4ccc(Br)cc4[C@@H]23)s1 ZINC000877760259 662883027 /nfs/dbraw/zinc/88/30/27/662883027.db2.gz DKTIJLWPHNOVRQ-NWANDNLSSA-N 1 0 399.335 2.586 20 0 GFADRO C[C@@H](CCc1ccc(O)cc1)[NH2+]Cc1c(I)cnn1C ZINC000877776394 662883344 /nfs/dbraw/zinc/88/33/44/662883344.db2.gz IVDHFYDQPKHIIU-NSHDSACASA-N 1 0 385.249 2.841 20 0 GFADRO CONC(=O)C1CC[NH+](Cc2cnn(-c3ccc(Br)cc3)c2)CC1 ZINC000877786680 662883663 /nfs/dbraw/zinc/88/36/63/662883663.db2.gz SWOCSNCGVSRBHR-UHFFFAOYSA-N 1 0 393.285 2.524 20 0 GFADRO C[N@@H+]1CC[C@H]2CN(C(=O)Nc3cccc(I)c3)CC[C@H]21 ZINC000877940727 662886574 /nfs/dbraw/zinc/88/65/74/662886574.db2.gz VAWDKOPCZOXVQL-SMDDNHRTSA-N 1 0 385.249 2.849 20 0 GFADRO Cn1ncc(Br)c1CC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000877998312 662887781 /nfs/dbraw/zinc/88/77/81/662887781.db2.gz OZJCOHGDANOFTR-UHFFFAOYSA-N 1 0 391.313 2.506 20 0 GFADRO Brc1cnn(C2CC[NH+](C[C@H]3CC4(CO3)CCOCC4)CC2)c1 ZINC000878091519 662889727 /nfs/dbraw/zinc/88/97/27/662889727.db2.gz DMUTWLGNLYTVCW-MRXNPFEDSA-N 1 0 384.318 2.868 20 0 GFADRO CN(C[C@@H](O)c1cc(Br)no1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000878151576 662890907 /nfs/dbraw/zinc/89/09/07/662890907.db2.gz XUFXWKKUIFVVSP-JKSUJKDBSA-N 1 0 394.313 2.924 20 0 GFADRO OCC[N@H+](C[C@H](O)c1cc(Br)no1)[C@H]1CCCc2ccccc21 ZINC000878245662 662892345 /nfs/dbraw/zinc/89/23/45/662892345.db2.gz GYHAETNFKASMNF-GJZGRUSLSA-N 1 0 381.270 2.842 20 0 GFADRO Cn1nc(Br)cc1NC(=O)Nc1cccc(OCC[NH+](C)C)c1 ZINC000878282901 662893143 /nfs/dbraw/zinc/89/31/43/662893143.db2.gz YUSGGJQETCKVQN-UHFFFAOYSA-N 1 0 382.262 2.767 20 0 GFADRO C[C@@H]([NH2+]C[C@H](O)c1cc(Br)no1)c1ccc(N2CCOC2=O)cc1 ZINC000878358455 662894431 /nfs/dbraw/zinc/89/44/31/662894431.db2.gz PGLXYXCIKVNLOT-MFKMUULPSA-N 1 0 396.241 2.778 20 0 GFADRO CN1C(=O)C[C@H]([NH2+]CCCS(=O)(=O)C(C)(C)C)[C@@H]1c1ccc(Cl)cc1 ZINC000878509871 662897788 /nfs/dbraw/zinc/89/77/88/662897788.db2.gz XHMCILZZDYNVDX-RDJZCZTQSA-N 1 0 386.945 2.805 20 0 GFADRO COc1c(Cl)cc(NC(=O)N[C@H]2CC[N@H+](CC(C)(C)O)C2)cc1Cl ZINC000878531642 662898416 /nfs/dbraw/zinc/89/84/16/662898416.db2.gz ORQBILLSEOICHR-JTQLQIEISA-N 1 0 376.284 2.969 20 0 GFADRO C[N@@H+]1CCN(C(=O)Nc2ccc(NS(C)(=O)=O)c(Cl)c2)CCC1(C)C ZINC000878782454 662905272 /nfs/dbraw/zinc/90/52/72/662905272.db2.gz QAOZLVDSYXDERK-UHFFFAOYSA-N 1 0 388.921 2.660 20 0 GFADRO COCCN(CC1CC[NH+](C)CC1)C(=O)Nc1cccnc1Br ZINC000878975094 662912164 /nfs/dbraw/zinc/91/21/64/662912164.db2.gz XWIBSTRQKCKJAW-UHFFFAOYSA-N 1 0 385.306 2.666 20 0 GFADRO Cc1nc(Br)ccc1NC(=O)N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000879099191 662916245 /nfs/dbraw/zinc/91/62/45/662916245.db2.gz HWMHEOPMXSSACI-AWEZNQCLSA-N 1 0 397.317 2.917 20 0 GFADRO OC[C@@H]([NH2+]C[C@@H](O)c1cc(Br)no1)c1cccc(C(F)(F)F)c1 ZINC000879114138 662917655 /nfs/dbraw/zinc/91/76/55/662917655.db2.gz HITIOXVTCQMBTC-GHMZBOCLSA-N 1 0 395.175 2.813 20 0 GFADRO CCOP(=O)(OCC)[C@H](O)C[N@@H+]1C[C@H](NC(=O)OC(C)(C)C)C[C@H]1C ZINC000879225106 662920904 /nfs/dbraw/zinc/92/09/04/662920904.db2.gz WUTCEPSYTUDTIS-MCIONIFRSA-N 1 0 380.422 2.558 20 0 GFADRO O=C(NCCCC[N@H+]1CCC[C@H]1CO)c1ccc(OC(F)F)c(Cl)c1 ZINC000879305753 662922874 /nfs/dbraw/zinc/92/28/74/662922874.db2.gz KBKLKZSZQJIPPZ-ZDUSSCGKSA-N 1 0 376.831 2.908 20 0 GFADRO C[NH+](C)CCc1ccccc1NC(=O)NCc1cnc(Br)cn1 ZINC000879322850 662923286 /nfs/dbraw/zinc/92/32/86/662923286.db2.gz ZFJSPTYPVYMHPO-UHFFFAOYSA-N 1 0 378.274 2.665 20 0 GFADRO C[C@@H](NC(=O)Cc1c(Br)cnn1C)[C@H](c1ccccc1)[NH+](C)C ZINC000879517594 662928318 /nfs/dbraw/zinc/92/83/18/662928318.db2.gz IDMFHUPNOKQYHQ-SJKOYZFVSA-N 1 0 379.302 2.533 20 0 GFADRO C[N@@H+]1CC[C@H]2CN(C(=O)Nc3ccc4nccnc4c3Br)CC[C@H]21 ZINC000879547766 662928883 /nfs/dbraw/zinc/92/88/83/662928883.db2.gz FMEYKMQJIXUBGE-SMDDNHRTSA-N 1 0 390.285 2.950 20 0 GFADRO C[N@@H+]1CC[C@H]2CN(Cc3nc(Cc4cccc(Br)c4)no3)CC[C@@H]21 ZINC000879571805 662929785 /nfs/dbraw/zinc/92/97/85/662929785.db2.gz CEGIGIVXKVKLHH-HOCLYGCPSA-N 1 0 391.313 2.949 20 0 GFADRO C[C@@H](NC(=O)Nc1cc(Br)nn1C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000879643163 662932796 /nfs/dbraw/zinc/93/27/96/662932796.db2.gz FLQBFQZYOQQPGT-NEPJUHHUSA-N 1 0 384.322 2.957 20 0 GFADRO C[C@@H](NC(=O)Nc1cc(Br)nn1C)[C@@H](c1ccccc1)[NH+](C)C ZINC000879644155 662933102 /nfs/dbraw/zinc/93/31/02/662933102.db2.gz RVRXBSQNJSHYDP-ABAIWWIYSA-N 1 0 380.290 2.996 20 0 GFADRO CCC(O)(CC)C(C)(C)[NH2+]Cc1nnnn1-c1ccccc1Br ZINC000879698813 662936743 /nfs/dbraw/zinc/93/67/43/662936743.db2.gz XDPJFFLNIUVKBC-UHFFFAOYSA-N 1 0 382.306 2.844 20 0 GFADRO CC(C)(O)[C@H]1CC[N@H+](C[C@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000880144879 662952568 /nfs/dbraw/zinc/95/25/68/662952568.db2.gz FOFQIBQJTDBTJY-AAEUAGOBSA-N 1 0 392.721 2.935 20 0 GFADRO C[N@@H+]1CC[C@]2(CCN(C(=O)Nc3c4c(ccc3Br)OCC4)C2)C1 ZINC000880799135 662970585 /nfs/dbraw/zinc/97/05/85/662970585.db2.gz NUSXSNCXGAGOTI-KRWDZBQOSA-N 1 0 380.286 2.944 20 0 GFADRO [NH3+][C@H](c1cn(C[C@@H]2CC3(CCC3)C(=O)O2)nn1)c1ccc(Br)cc1 ZINC000881371744 662991890 /nfs/dbraw/zinc/99/18/90/662991890.db2.gz VXRICBQYOKMRRH-ZFWWWQNUSA-N 1 0 391.269 2.575 20 0 GFADRO O[C@@H](Cn1cc(C[NH2+]C2CCCC2)nn1)c1ccc(F)c(Br)c1 ZINC000881418889 662993445 /nfs/dbraw/zinc/99/34/45/662993445.db2.gz YEBLKOCLIYSZPX-INIZCTEOSA-N 1 0 383.265 2.946 20 0 GFADRO C[NH+](C)CCc1cn(C[C@](C)(O)c2ccc(Br)cc2Cl)nn1 ZINC000881423559 662993711 /nfs/dbraw/zinc/99/37/11/662993711.db2.gz BKYZPTDMFOAAMU-HNNXBMFYSA-N 1 0 387.709 2.706 20 0 GFADRO COc1ccc(C(=O)N2CCC[C@@H]([NH2+]C3CCOCC3)C2)cc1Br ZINC000881468828 662995213 /nfs/dbraw/zinc/99/52/13/662995213.db2.gz GTBAGYVLDLPTJH-OAHLLOKOSA-N 1 0 397.313 2.831 20 0 GFADRO O=C(Cc1ccc(Br)c(F)c1)N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000881475653 662995457 /nfs/dbraw/zinc/99/54/57/662995457.db2.gz ZEQMJKWNCOJSEL-OAHLLOKOSA-N 1 0 399.304 2.890 20 0 GFADRO O=S(=O)(CC=C(Cl)Cl)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000881786071 663003184 /nfs/dbraw/zinc/00/31/84/663003184.db2.gz QIQAUOIODJNTKV-UHFFFAOYSA-N 1 0 377.337 2.932 20 0 GFADRO CCC[N@@H+]1CC[C@H](CNc2cnn(CC(F)(F)F)c(=O)c2Br)C1 ZINC000881837104 663005401 /nfs/dbraw/zinc/00/54/01/663005401.db2.gz BGPUINBZBHJIMH-SNVBAGLBSA-N 1 0 397.239 2.712 20 0 GFADRO C[N@@H+]1CCC[C@@H]2CN(S(=O)(=O)c3cnc(Cl)cc3C(F)(F)F)CC[C@H]21 ZINC000881994533 663012724 /nfs/dbraw/zinc/01/27/24/663012724.db2.gz AZUDVPPRYDIXFP-ZYHUDNBSSA-N 1 0 397.850 2.859 20 0 GFADRO C[N@@H+]1CCC[C@]2(CCN(S(=O)(=O)c3cnc(Cl)cc3C(F)(F)F)C2)C1 ZINC000882221766 663021174 /nfs/dbraw/zinc/02/11/74/663021174.db2.gz QSEURZVCSJBDDT-AWEZNQCLSA-N 1 0 397.850 2.860 20 0 GFADRO Cn1nc(Br)c2c1ncnc2N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccccc1 ZINC000882685286 663036771 /nfs/dbraw/zinc/03/67/71/663036771.db2.gz JLQLOYYPRXTNRT-KBPBESRZSA-N 1 0 399.296 2.589 20 0 GFADRO CC1([NH+]2CCC2)CCN(S(=O)(=O)c2ccc(F)c(Br)c2)CC1 ZINC000882768556 663041087 /nfs/dbraw/zinc/04/10/87/663041087.db2.gz JFPDKMZKAHJRNL-UHFFFAOYSA-N 1 0 391.306 2.837 20 0 GFADRO C[C@H](c1ccccc1)[NH+]1CCN(c2ccc3nnc(Br)n3n2)CC1 ZINC000882810586 663042698 /nfs/dbraw/zinc/04/26/98/663042698.db2.gz WYXCNJJXWOBWLM-CYBMUJFWSA-N 1 0 387.285 2.770 20 0 GFADRO COC[C@H]([NH2+]CCC(=O)Nc1ccc(Br)cc1)[C@H]1CCCOC1 ZINC000883184515 663051054 /nfs/dbraw/zinc/05/10/54/663051054.db2.gz YUIQVNHBVSJRLU-BBRMVZONSA-N 1 0 385.302 2.809 20 0 GFADRO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+][C@@H](COC)[C@@H]2CCCOC2)c1 ZINC000883227939 663051685 /nfs/dbraw/zinc/05/16/85/663051685.db2.gz BEVWVNXBRLXPHI-PBHICJAKSA-N 1 0 375.918 2.665 20 0 GFADRO COc1ncc(Br)cc1C[NH2+]C[C@H](O)C(F)(F)C(F)(F)F ZINC000883368622 663054087 /nfs/dbraw/zinc/05/40/87/663054087.db2.gz VKQKIERFFPZRML-QMMMGPOBSA-N 1 0 379.123 2.501 20 0 GFADRO [NH3+]CCCN(CC(F)(F)F)S(=O)(=O)c1ccc(CC(F)(F)F)cc1 ZINC000883471025 663055596 /nfs/dbraw/zinc/05/55/96/663055596.db2.gz RJJNTDZHSLYHFF-UHFFFAOYSA-N 1 0 378.338 2.693 20 0 GFADRO CSc1nnc(CNC(=O)N2CCN([C@H](C)c3ccccc3)CC2)s1 ZINC000883594146 663057518 /nfs/dbraw/zinc/05/75/18/663057518.db2.gz ZOEZEOFZVCVEQD-CYBMUJFWSA-N 1 0 377.539 2.848 20 0 GFADRO O=C(NCCC[C@@H]1CC1(Cl)Cl)N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000883764953 663060307 /nfs/dbraw/zinc/06/03/07/663060307.db2.gz MAYSJGYEVGOYLK-UKRRQHHQSA-N 1 0 378.344 2.903 20 0 GFADRO COc1ccc(OC)c(CCNC(=O)[C@H]([NH3+])c2ccc(Br)cc2)c1 ZINC000884068533 663064487 /nfs/dbraw/zinc/06/44/87/663064487.db2.gz UPFJSGXWXBWZOY-QGZVFWFLSA-N 1 0 393.281 2.825 20 0 GFADRO COCC[C@H]([NH3+])C(=O)N1CCCC[C@@H]1C(=O)Nc1ccc(Cl)cc1Cl ZINC000884090572 663064809 /nfs/dbraw/zinc/06/48/09/663064809.db2.gz YORKVVLGHFVBPO-DZGCQCFKSA-N 1 0 388.295 2.677 20 0 GFADRO COCC[C@@H]([NH3+])C(=O)N1CCCC[C@@H]1C(=O)Nc1ccc(Cl)cc1Cl ZINC000884090574 663064852 /nfs/dbraw/zinc/06/48/52/663064852.db2.gz YORKVVLGHFVBPO-UKRRQHHQSA-N 1 0 388.295 2.677 20 0 GFADRO Cc1cc(C2CCN(C(=O)[C@H]([NH3+])c3ccc(Br)cc3)CC2)[nH]n1 ZINC000884331079 663069140 /nfs/dbraw/zinc/06/91/40/663069140.db2.gz FNZFKCAYTGKVII-MRXNPFEDSA-N 1 0 377.286 2.887 20 0 GFADRO [NH3+][C@H](C(=O)N1CC[C@@H](OCc2ccccn2)C1)c1ccc(Br)cc1 ZINC000884328741 663069151 /nfs/dbraw/zinc/06/91/51/663069151.db2.gz WMMBMBLDCDBDLA-SJORKVTESA-N 1 0 390.281 2.662 20 0 GFADRO [NH3+]CC1(CCNC(=O)c2cc(Br)nn2-c2ncccc2Cl)CC1 ZINC000884385095 663069880 /nfs/dbraw/zinc/06/98/80/663069880.db2.gz DPYZKGMCQCXZHS-UHFFFAOYSA-N 1 0 398.692 2.542 20 0 GFADRO C[NH2+][C@@H](CC(C)C)C(=O)N1CC[C@@]2(C)[C@@H](C1)C2(Br)Br ZINC000884400090 663070177 /nfs/dbraw/zinc/07/01/77/663070177.db2.gz WJGLSHGJFZOXRC-LOWVWBTDSA-N 1 0 396.167 2.975 20 0 GFADRO O=C(CCc1cc(Br)c(Br)s1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000884458214 663071087 /nfs/dbraw/zinc/07/10/87/663071087.db2.gz ZPHYKLINSBWDFM-YUMQZZPRSA-N 1 0 394.132 2.778 20 0 GFADRO O=c1c(Br)nn(C[N@@H+]2CC[C@@H]([C@@H]3CCCO3)C2)c2ccccc12 ZINC000884481021 663071265 /nfs/dbraw/zinc/07/12/65/663071265.db2.gz FEZQSOYBCWUXTO-DOMZBBRYSA-N 1 0 378.270 2.617 20 0 GFADRO CCC1([NH3+])CCN(C(=O)C(=O)NCCCc2c(Cl)cccc2Cl)CC1 ZINC000884776647 663075413 /nfs/dbraw/zinc/07/54/13/663075413.db2.gz XEOIIKLYTBJALU-UHFFFAOYSA-N 1 0 386.323 2.772 20 0 GFADRO O=S(=O)(/C=C/c1cccc(Br)c1)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000884951051 663079423 /nfs/dbraw/zinc/07/94/23/663079423.db2.gz WXKQTKNSKSKROJ-ZHANPKHBSA-N 1 0 385.327 2.966 20 0 GFADRO COc1cc(C(F)(F)F)cc(S(=O)(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000884957624 663079575 /nfs/dbraw/zinc/07/95/75/663079575.db2.gz UEHZASFIFIDZAC-OLZOCXBDSA-N 1 0 378.416 2.619 20 0 GFADRO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C(=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000884973769 663081706 /nfs/dbraw/zinc/08/17/06/663081706.db2.gz FHNMNCDGUJHQBD-HNNXBMFYSA-N 1 0 386.323 2.846 20 0 GFADRO O=C(Cc1ccc(F)c(Br)c1)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000885862239 663099394 /nfs/dbraw/zinc/09/93/94/663099394.db2.gz DNAFUBNZZLHMJP-AWEZNQCLSA-N 1 0 385.277 2.500 20 0 GFADRO O=C(CCc1cc(Br)cs1)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000885868947 663099609 /nfs/dbraw/zinc/09/96/09/663099609.db2.gz NUPWKEORDLBGGO-CQSZACIVSA-N 1 0 387.343 2.813 20 0 GFADRO O=C(NC[C@@H]1CC[N@@H+]1C1CCOCC1)c1cn2cc(Cl)cc(Cl)c2n1 ZINC000885883692 663100368 /nfs/dbraw/zinc/10/03/68/663100368.db2.gz YYEFEBXCCKZWIF-ZDUSSCGKSA-N 1 0 383.279 2.624 20 0 GFADRO Nc1c(Cl)c(F)cc(C(=O)NC[C@H]2CC[N@@H+]2C2CCOCC2)c1Cl ZINC000885888593 663100574 /nfs/dbraw/zinc/10/05/74/663100574.db2.gz MLUXDJQPEHRULA-SNVBAGLBSA-N 1 0 376.259 2.698 20 0 GFADRO CO[C@H](C(=O)NC[C@@H]1CC[N@@H+]1C1CCOCC1)c1ccccc1Br ZINC000885890350 663100750 /nfs/dbraw/zinc/10/07/50/663100750.db2.gz BLGPXZYYNHJZLF-YOEHRIQHSA-N 1 0 397.313 2.506 20 0 GFADRO CS(=O)(=O)N(CC(F)(F)F)C1CC[NH+](CCOC2CCCCC2)CC1 ZINC000886008490 663102584 /nfs/dbraw/zinc/10/25/84/663102584.db2.gz ODDDDIINJHXQMA-UHFFFAOYSA-N 1 0 386.480 2.624 20 0 GFADRO O=C(Nc1ccc(Br)cn1)[C@@H]1CCC[N@H+](C[C@@H]2C[C@]23CCOC3)C1 ZINC000886052680 663102792 /nfs/dbraw/zinc/10/27/92/663102792.db2.gz VYFNIKCMJITKCB-GLJUWKHASA-N 1 0 394.313 2.921 20 0 GFADRO OC[C@H](C[NH2+][C@H]1CCOC2(CCOCC2)C1)Cc1ccccc1Br ZINC000886092029 663103089 /nfs/dbraw/zinc/10/30/89/663103089.db2.gz MIKDCWAFRBVIGJ-RDJZCZTQSA-N 1 0 398.341 2.918 20 0 GFADRO C[NH+](C)CCn1nccc1C(=O)N1CCc2cc(F)c(Br)cc2C1 ZINC000886288199 663107433 /nfs/dbraw/zinc/10/74/33/663107433.db2.gz PQWSGLWPXOIEHE-UHFFFAOYSA-N 1 0 395.276 2.545 20 0 GFADRO C[C@@H]1C[C@]2(CC[C@H](C[NH2+]Cc3cnc4ccc(Br)cn34)O2)CO1 ZINC000886332818 663108539 /nfs/dbraw/zinc/10/85/39/663108539.db2.gz ZFOYNKNYKAGLNV-SRCQZFHVSA-N 1 0 380.286 2.913 20 0 GFADRO C[C@H]([NH2+][C@@H](CO)C[C@H]1CCCO1)c1ccc(I)cc1 ZINC000886666629 663115301 /nfs/dbraw/zinc/11/53/01/663115301.db2.gz WRWZWPDLCSBUFI-NILFDRSVSA-N 1 0 375.250 2.872 20 0 GFADRO C[C@H]([NH2+]CCc1nnc2c(=O)n(C)ccn12)c1cc(F)c(Cl)cc1Cl ZINC000886696234 663115770 /nfs/dbraw/zinc/11/57/70/663115770.db2.gz JUNOGUCEDJUJFD-VIFPVBQESA-N 1 0 384.242 2.767 20 0 GFADRO O=S(=O)(/C=C/c1ccc(Br)cc1)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000886896282 663123964 /nfs/dbraw/zinc/12/39/64/663123964.db2.gz DQNMNKFWPXRZHQ-ZCRIDZFUSA-N 1 0 395.269 2.584 20 0 GFADRO C[C@@H](CCC[NH3+])NC(=O)C(=O)Nc1cc(Br)c2ccccc2c1 ZINC000886983573 663127333 /nfs/dbraw/zinc/12/73/33/663127333.db2.gz BPKLEDONXPSNAF-NSHDSACASA-N 1 0 378.270 2.784 20 0 GFADRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)Nc1cc(Br)c2ccccc2c1 ZINC000886984357 663127335 /nfs/dbraw/zinc/12/73/35/663127335.db2.gz YDFCKHZQAAPODI-MEDUHNTESA-N 1 0 390.281 2.655 20 0 GFADRO C[N@H+](CCO)CCNC(=O)Nc1ccc(Br)c(Cl)c1Cl ZINC000887975872 663172439 /nfs/dbraw/zinc/17/24/39/663172439.db2.gz NQJMVMHGIMOPGN-UHFFFAOYSA-N 1 0 385.089 2.802 20 0 GFADRO COCCOc1ccc(NC(=O)[C@@]23CC[N@H+](C2)CCC3)cc1Br ZINC000888294709 663187068 /nfs/dbraw/zinc/18/70/68/663187068.db2.gz LANCFKWABOUMBR-KRWDZBQOSA-N 1 0 383.286 2.899 20 0 GFADRO Cn1cc(C(=O)Nc2cccc(OCCC[NH+](C)C)c2)c(Br)n1 ZINC000888921939 663225766 /nfs/dbraw/zinc/22/57/66/663225766.db2.gz MWHAISOIHRZGJL-UHFFFAOYSA-N 1 0 381.274 2.765 20 0 GFADRO CN1CCN(C(=O)c2cc(F)c(Br)c(Cl)c2)CC[N@H+](C)CC1 ZINC000888983405 663228172 /nfs/dbraw/zinc/22/81/72/663228172.db2.gz ACGGKCRPYIUSDK-UHFFFAOYSA-N 1 0 392.700 2.561 20 0 GFADRO CC(C)Oc1cc(C(=O)N2CCN(C)CC[N@H+](C)CC2)ccc1Br ZINC000888980593 663228267 /nfs/dbraw/zinc/22/82/67/663228267.db2.gz ICLQRRAJCVCNBG-UHFFFAOYSA-N 1 0 398.345 2.556 20 0 GFADRO CC[C@@H](Cc1cccc(Br)c1)C(=O)N1CCN(C)CC[N@H+](C)CC1 ZINC000888990697 663228573 /nfs/dbraw/zinc/22/85/73/663228573.db2.gz AHZDETMFOYXRHP-KRWDZBQOSA-N 1 0 396.373 2.724 20 0 GFADRO O=C(CSc1cccc(Br)c1)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000889760174 663264067 /nfs/dbraw/zinc/26/40/67/663264067.db2.gz CBHWLJQPGCSQTO-JKSUJKDBSA-N 1 0 399.354 2.599 20 0 GFADRO C[C@H](Cc1ccc(Br)cc1)C(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000889760458 663264322 /nfs/dbraw/zinc/26/43/22/663264322.db2.gz GKJPYHWSNGMPRT-ZTFGCOKTSA-N 1 0 395.341 2.685 20 0 GFADRO O=C(CCc1cc(Br)cs1)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000889770880 663265700 /nfs/dbraw/zinc/26/57/00/663265700.db2.gz WHRMRIPWQNIKAC-CABCVRRESA-N 1 0 387.343 2.501 20 0 GFADRO CCN(C(=O)c1cn(C)nc1Br)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000889956240 663277354 /nfs/dbraw/zinc/27/73/54/663277354.db2.gz HTCYSOVNNXHGKE-OAHLLOKOSA-N 1 0 391.313 2.919 20 0 GFADRO CC(C)(C)[NH2+]CCC(=O)N1CCn2c(c(Br)nc2C(F)(F)F)C1 ZINC000890200701 663289076 /nfs/dbraw/zinc/28/90/76/663289076.db2.gz YPLYZGXJQMTUME-UHFFFAOYSA-N 1 0 397.239 2.785 20 0 GFADRO C[N@H+](CC(=O)NCc1csc(NC(=O)OC(C)(C)C)n1)[C@H]1CCSC1 ZINC000890390140 663298820 /nfs/dbraw/zinc/29/88/20/663298820.db2.gz YRVYAAPQSYWCJR-LBPRGKRZSA-N 1 0 386.543 2.544 20 0 GFADRO O=C(NCCc1ccc(Cl)c(Cl)c1)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000890886173 663316054 /nfs/dbraw/zinc/31/60/54/663316054.db2.gz MYMRRTIROWIGCF-OAHLLOKOSA-N 1 0 386.323 2.777 20 0 GFADRO C[C@@H](Cc1ccc(Br)cc1)NC(=O)NC[C@H]1C[NH2+]CCC1(F)F ZINC000891378390 663337961 /nfs/dbraw/zinc/33/79/61/663337961.db2.gz QQHIKWJTEYYCMA-WCQYABFASA-N 1 0 390.272 2.924 20 0 GFADRO CCN(C(=O)NC[C@H]1CCN(c2cccc(Br)c2)C1)[C@H]1CC[NH2+]C1 ZINC000891426566 663339325 /nfs/dbraw/zinc/33/93/25/663339325.db2.gz SGFNFOGYWMIXII-PBHICJAKSA-N 1 0 395.345 2.669 20 0 GFADRO O=C(NCCc1ccccc1Br)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000891461300 663340298 /nfs/dbraw/zinc/34/02/98/663340298.db2.gz VNWIOUOYDULZLC-LBPRGKRZSA-N 1 0 376.245 2.536 20 0 GFADRO O=C(NCc1ccc(Br)c(F)c1)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000891543917 663343518 /nfs/dbraw/zinc/34/35/18/663343518.db2.gz OWPARGXSMRKKSW-JTQLQIEISA-N 1 0 380.208 2.632 20 0 GFADRO C[C@@H](CNC(=O)NCc1cc(N)cc[nH+]1)Oc1cccc(Br)c1 ZINC000891615718 663345537 /nfs/dbraw/zinc/34/55/37/663345537.db2.gz LTIGSHOVVYPTCW-NSHDSACASA-N 1 0 379.258 2.693 20 0 GFADRO CO[C@H](CNC(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1)c1cccc(Cl)c1 ZINC000891617526 663345588 /nfs/dbraw/zinc/34/55/88/663345588.db2.gz URUKNBGNPGVRQP-KWCYVHTRSA-N 1 0 379.810 2.806 20 0 GFADRO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)NC1CCN(Cc2ccc(Br)cc2)CC1 ZINC000891682222 663347240 /nfs/dbraw/zinc/34/72/40/663347240.db2.gz SKSLJZJONKMUKV-CZUORRHYSA-N 1 0 395.345 2.545 20 0 GFADRO O=C(NCc1ccc(O)c(Br)c1)N1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000891691351 663347763 /nfs/dbraw/zinc/34/77/63/663347763.db2.gz LCOKGBAIYWFJHC-KRWDZBQOSA-N 1 0 382.302 2.830 20 0 GFADRO CCOC(=O)c1ncc(Br)c(NC[C@H](c2ccsc2)[NH+](C)C)n1 ZINC000891728565 663349007 /nfs/dbraw/zinc/34/90/07/663349007.db2.gz LZYNFVAEBIBSLE-GFCCVEGCSA-N 1 0 399.314 2.614 20 0 GFADRO [NH3+][C@H]1C[C@H](CNC(=O)N[C@H]2CCCN(c3ccc(Cl)cc3Cl)C2=O)C1 ZINC000891848528 663352648 /nfs/dbraw/zinc/35/26/48/663352648.db2.gz NDOQUOHMDFYSFL-JKOKRWQUSA-N 1 0 385.295 2.525 20 0 GFADRO C[C@H]1C[C@@H]([NH3+])CN1C(=O)NCc1ccc(Cl)cc1I ZINC000891858865 663353155 /nfs/dbraw/zinc/35/31/55/663353155.db2.gz WQIPQZGAHKHVRV-GZMMTYOYSA-N 1 0 393.656 2.576 20 0 GFADRO O=C(N[C@@H]1CCOc2c(Br)cccc21)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000891883016 663354262 /nfs/dbraw/zinc/35/42/62/663354262.db2.gz XVMQBFHKUPEKTD-CPUCHLNUSA-N 1 0 380.286 2.857 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)NCc1ncc(Br)cn1)C1CCCCC1 ZINC000891889810 663354432 /nfs/dbraw/zinc/35/44/32/663354432.db2.gz PBHRARKUUQERRD-CQSZACIVSA-N 1 0 384.322 2.549 20 0 GFADRO COC[C@@H](NC(=O)NCCC1=CC[NH2+]CC1)c1cccc(Br)c1 ZINC000892100228 663361661 /nfs/dbraw/zinc/36/16/61/663361661.db2.gz HFAAHLKUOYTXEP-MRXNPFEDSA-N 1 0 382.302 2.746 20 0 GFADRO O=C(NCCC1=CC[NH2+]CC1)N[C@H]1[C@@H]2Cc3cc(Br)ccc3[C@@H]21 ZINC000892101529 663361669 /nfs/dbraw/zinc/36/16/69/663361669.db2.gz SMEUBZKOFSKTOY-IKGGRYGDSA-N 1 0 376.298 2.696 20 0 GFADRO O=C(NCc1cc(C(F)(F)F)cc(Cl)n1)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000892186839 663365083 /nfs/dbraw/zinc/36/50/83/663365083.db2.gz DICQZMRKNQWQTQ-CKYFFXLPSA-N 1 0 376.810 2.941 20 0 GFADRO C[C@@H]([NH3+])C[C@H](C)NC(=O)NCc1ccn(-c2ccc(Br)cc2)n1 ZINC000892198264 663365552 /nfs/dbraw/zinc/36/55/52/663365552.db2.gz JQNQCQKHKCRLGP-NEPJUHHUSA-N 1 0 380.290 2.560 20 0 GFADRO COC[C@H](NC(=O)NCCC1CC[NH2+]CC1)c1cccc(Br)c1 ZINC000892232781 663366466 /nfs/dbraw/zinc/36/64/66/663366466.db2.gz HVPKQYPFKDWPEE-INIZCTEOSA-N 1 0 384.318 2.826 20 0 GFADRO O=C(N[C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21)N[C@H]1CC12CC[NH2+]CC2 ZINC000892266868 663367739 /nfs/dbraw/zinc/36/77/39/663367739.db2.gz HWVLOHJYUGXROV-SYAUCNOPSA-N 1 0 376.298 2.529 20 0 GFADRO O=C(N[C@@H]1CC12CC[NH2+]CC2)N[C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21 ZINC000892266865 663367744 /nfs/dbraw/zinc/36/77/44/663367744.db2.gz HWVLOHJYUGXROV-DMRZNYOFSA-N 1 0 376.298 2.529 20 0 GFADRO [NH3+]C[C@H]1CC[C@H](NC(=O)NC[C@H](O)COc2cccc(Cl)c2Cl)CC1 ZINC000892449696 663373971 /nfs/dbraw/zinc/37/39/71/663373971.db2.gz KFXIPJNVKIWCQC-AVGNSLFASA-N 1 0 390.311 2.550 20 0 GFADRO CN(C[C@@H](O)c1ccccc1Br)C(=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000892482497 663375147 /nfs/dbraw/zinc/37/51/47/663375147.db2.gz XLFNESZZHAWOIG-XJKSGUPXSA-N 1 0 398.345 2.902 20 0 GFADRO CC(C)(C)CC[C@H](C[NH2+]C[C@H]1CCS(=O)(=O)C1)NC(=O)OC(C)(C)C ZINC000892505864 663376107 /nfs/dbraw/zinc/37/61/07/663376107.db2.gz MSKRUVPCPYJKCV-HUUCEWRRSA-N 1 0 376.563 2.730 20 0 GFADRO C[C@@]1(Br)C[C@@H]1C[NH2+]C1CCN(CC(=O)Nc2ccccc2)CC1 ZINC000892544557 663376948 /nfs/dbraw/zinc/37/69/48/663376948.db2.gz MQGPBHFRYUODOR-RDTXWAMCSA-N 1 0 380.330 2.853 20 0 GFADRO Cn1ncc(C[NH2+]CCCNC(=O)c2ccc(Br)cc2)c1C1CC1 ZINC000892815898 663385597 /nfs/dbraw/zinc/38/55/97/663385597.db2.gz MKWBABYFHYTDFO-UHFFFAOYSA-N 1 0 391.313 2.970 20 0 GFADRO CC(C)([NH3+])CCNC(=O)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000892859494 663386984 /nfs/dbraw/zinc/38/69/84/663386984.db2.gz DPKWIPDGSZIPQV-UHFFFAOYSA-N 1 0 387.311 2.588 20 0 GFADRO CCN(CC)S(=O)(=O)c1ccc(CC[NH2+]Cc2cn3ccnc3s2)s1 ZINC000892903635 663389209 /nfs/dbraw/zinc/38/92/09/663389209.db2.gz UOZWFGACJGCLJD-UHFFFAOYSA-N 1 0 398.579 2.820 20 0 GFADRO CCOC(=O)c1ncc(Br)c(N2CC[C@H](C3CC[NH+](C)CC3)C2)n1 ZINC000892983512 663391996 /nfs/dbraw/zinc/39/19/96/663391996.db2.gz JXCBYULWLYWKTC-ZDUSSCGKSA-N 1 0 397.317 2.584 20 0 GFADRO COc1nccc(C[NH2+]C[C@H](O)COc2ccccc2Br)c1F ZINC000893172482 663400301 /nfs/dbraw/zinc/40/03/01/663400301.db2.gz RJJYIEQASVDPMG-LBPRGKRZSA-N 1 0 385.233 2.521 20 0 GFADRO Cc1[nH+]ccc(NCc2ccncc2OC[C@H]2CCOC2)c1Br ZINC000893878148 663429479 /nfs/dbraw/zinc/42/94/79/663429479.db2.gz OLLBBWBPQQCMJM-ZDUSSCGKSA-N 1 0 378.270 2.997 20 0 GFADRO CO[C@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000893996748 663435996 /nfs/dbraw/zinc/43/59/96/663435996.db2.gz AMCWXKQCKAQPAT-UTXMOHQDSA-N 1 0 396.329 2.728 20 0 GFADRO C[C@H](NCc1nc(Br)nn1C)c1ccc(NC(=O)C2CC2)cc1 ZINC000894164123 663446396 /nfs/dbraw/zinc/44/63/96/663446396.db2.gz CYLBUUALPBNESK-JTQLQIEISA-N 1 0 378.274 2.777 20 0 GFADRO Cn1nc(Br)nc1C[NH2+][C@H]1CCc2nc(-c3ccccc3)ncc2C1 ZINC000894226684 663449842 /nfs/dbraw/zinc/44/98/42/663449842.db2.gz OFBYERJECYBZAD-AWEZNQCLSA-N 1 0 399.296 2.682 20 0 GFADRO CC[N@H+](C)Cc1cccc(CNCc2c(I)cnn2C)c1 ZINC000894241520 663450499 /nfs/dbraw/zinc/45/04/99/663450499.db2.gz JGAITCCUMPFIAA-UHFFFAOYSA-N 1 0 398.292 2.766 20 0 GFADRO Cn1cc(C[NH2+]C[C@@H]2CCOc3ccccc32)c(I)n1 ZINC000894249896 663450750 /nfs/dbraw/zinc/45/07/50/663450750.db2.gz AUAFDPKYFIUMPJ-NSHDSACASA-N 1 0 383.233 2.681 20 0 GFADRO Cn1ncc(I)c1C[NH2+][C@@H]1CCCN(c2ccccc2)C1 ZINC000894268014 663451647 /nfs/dbraw/zinc/45/16/47/663451647.db2.gz DZAJDCASOINGOZ-CYBMUJFWSA-N 1 0 396.276 2.783 20 0 GFADRO C[C@H](CCNS(=O)(=O)c1ccccc1)[NH2+]C[C@@H]1C[C@]1(C)Br ZINC000894278985 663452381 /nfs/dbraw/zinc/45/23/81/663452381.db2.gz KHEVPUJBNMCWSR-IPYPFGDCSA-N 1 0 375.332 2.507 20 0 GFADRO Cn1nc(Br)nc1CNC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000894288822 663452627 /nfs/dbraw/zinc/45/26/27/663452627.db2.gz XRJKCYORHVALGU-FZMZJTMJSA-N 1 0 384.347 2.812 20 0 GFADRO C[C@@H](C[NH2+]Cc1cn(C)nc1I)Oc1ccccc1F ZINC000894311631 663453650 /nfs/dbraw/zinc/45/36/50/663453650.db2.gz XFUXVSZRRQGITM-JTQLQIEISA-N 1 0 389.212 2.721 20 0 GFADRO C[C@H]([NH2+]Cc1sc(N2CCOCC2)nc1Cl)[C@H](O)Cc1ccccc1 ZINC000894358791 663457232 /nfs/dbraw/zinc/45/72/32/663457232.db2.gz KNITVXNCQIOCDR-DZGCQCFKSA-N 1 0 381.929 2.715 20 0 GFADRO C[NH+]1CCC2(CC1)CN(c1ncc(Br)c3cccnc31)CCO2 ZINC000894359703 663457571 /nfs/dbraw/zinc/45/75/71/663457571.db2.gz OPSWVMDPRICAQM-UHFFFAOYSA-N 1 0 377.286 2.693 20 0 GFADRO Cn1ncc(I)c1CN[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000894366947 663458181 /nfs/dbraw/zinc/45/81/81/663458181.db2.gz IOLLOKQJVLRFGD-GDBMZVCRSA-N 1 0 396.276 2.560 20 0 GFADRO Cn1cc(CN[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)c(I)n1 ZINC000894366934 663458308 /nfs/dbraw/zinc/45/83/08/663458308.db2.gz IJEDCOFEBLSFCR-LSDHHAIUSA-N 1 0 396.276 2.560 20 0 GFADRO Cn1cc(C[NH2+][C@H]2CCO[C@H](C(C)(C)C)C2)c(I)n1 ZINC000894367025 663458504 /nfs/dbraw/zinc/45/85/04/663458504.db2.gz QOSZYGLRAKSCGQ-RYUDHWBXSA-N 1 0 377.270 2.708 20 0 GFADRO Cn1ncc(I)c1CN[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000894366948 663458508 /nfs/dbraw/zinc/45/85/08/663458508.db2.gz IOLLOKQJVLRFGD-GOEBONIOSA-N 1 0 396.276 2.560 20 0 GFADRO CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NCc1nc(Br)nn1C ZINC000894476558 663464224 /nfs/dbraw/zinc/46/42/24/663464224.db2.gz CDCNNNCQWIRUNB-HNNXBMFYSA-N 1 0 380.334 2.824 20 0 GFADRO COC(=O)c1cnc(C[NH2+]C[C@@H](CO)Cc2cccc(Br)c2)s1 ZINC000894562637 663468975 /nfs/dbraw/zinc/46/89/75/663468975.db2.gz VBZLINLMZMBREQ-LBPRGKRZSA-N 1 0 399.310 2.633 20 0 GFADRO COC(=O)c1cc(C[NH2+][C@@H]2CCCN(C(=O)CCC(F)(F)F)C2)cs1 ZINC000894762030 663480138 /nfs/dbraw/zinc/48/01/38/663480138.db2.gz SFMCRWDWZRGUPM-GFCCVEGCSA-N 1 0 378.416 2.958 20 0 GFADRO C[C@@H](CCCCNC(=O)OC(C)(C)C)[NH2+]Cc1nc(Br)nn1C ZINC000894832816 663484072 /nfs/dbraw/zinc/48/40/72/663484072.db2.gz WZIXHCBZGBDYOP-NSHDSACASA-N 1 0 390.326 2.751 20 0 GFADRO Cn1cc(CN[C@@H]2CC[N@@H+](C3CCCCC3)C2)c(I)n1 ZINC000895273929 663506593 /nfs/dbraw/zinc/50/65/93/663506593.db2.gz MBTWWYYVVXGFNS-CYBMUJFWSA-N 1 0 388.297 2.521 20 0 GFADRO CC(=O)Nc1cc(Br)ccc1C[N@@H+]1CC[C@@H](Cn2ccnn2)C1 ZINC000895310224 663507414 /nfs/dbraw/zinc/50/74/14/663507414.db2.gz MQKRTOSBQHMQBS-CYBMUJFWSA-N 1 0 378.274 2.521 20 0 GFADRO CN(C)c1nc(C(F)(F)F)ccc1C[NH2+]CC[S@](=O)CC(F)(F)F ZINC000895313001 663507549 /nfs/dbraw/zinc/50/75/49/663507549.db2.gz BJYDKVZJOIQTJP-DEOSSOPVSA-N 1 0 377.354 2.567 20 0 GFADRO COCCc1ccc(OC[C@@H](C)[NH2+]Cc2cnc(Br)cn2)cc1 ZINC000895407595 663512219 /nfs/dbraw/zinc/51/22/19/663512219.db2.gz VHAUREYVGOIZQT-CYBMUJFWSA-N 1 0 380.286 2.985 20 0 GFADRO COc1cccc(NC(=O)C[C@@H](C)[NH2+]Cc2cnc(Br)cn2)c1 ZINC000895407594 663512258 /nfs/dbraw/zinc/51/22/58/663512258.db2.gz FWDVHMCFOWVYDX-LLVKDONJSA-N 1 0 379.258 2.755 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)c1nn2c(c1Br)CCC2)c1cccc(F)c1 ZINC000895460568 663515301 /nfs/dbraw/zinc/51/53/01/663515301.db2.gz IEQCKTAZCDYPQO-CQSZACIVSA-N 1 0 395.276 2.764 20 0 GFADRO CC[C@@H]([NH2+]Cc1cn(C)nc1I)[C@@H](O)c1ccccc1 ZINC000895476720 663516600 /nfs/dbraw/zinc/51/66/00/663516600.db2.gz NCKKACGUALWZAL-KGLIPLIRSA-N 1 0 385.249 2.627 20 0 GFADRO COc1cc(CNC(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3C)c(Br)cc1O ZINC000895527461 663517984 /nfs/dbraw/zinc/51/79/84/663517984.db2.gz DWJAVMVAHSSADM-UONOGXRCSA-N 1 0 398.301 2.541 20 0 GFADRO C[NH+](C)C1(CNC(=O)c2nn3c(c2Br)CCC3)CCCCCC1 ZINC000895566777 663519017 /nfs/dbraw/zinc/51/90/17/663519017.db2.gz CCZACTLLGGWAFE-UHFFFAOYSA-N 1 0 383.334 2.976 20 0 GFADRO COc1cc(Br)c(C[NH2+]C[C@@H]2CC[C@@]3(CO[C@@H](C)C3)O2)cc1O ZINC000895823312 663528945 /nfs/dbraw/zinc/52/89/45/663528945.db2.gz ZPVDIQWQFJLBRR-PLQHRBFRSA-N 1 0 386.286 2.980 20 0 GFADRO OC1(C2(C[NH2+]Cc3ncc(I)s3)CCC2)CCC1 ZINC000895868401 663531114 /nfs/dbraw/zinc/53/11/14/663531114.db2.gz NTJVIBZSWWLWCE-UHFFFAOYSA-N 1 0 378.279 2.923 20 0 GFADRO Cc1ccc([C@H](CNC(=O)c2nn3c(c2Br)CCC3)[NH+](C)C)cc1 ZINC000895937864 663534308 /nfs/dbraw/zinc/53/43/08/663534308.db2.gz TVZFFGJBOXJEJQ-HNNXBMFYSA-N 1 0 391.313 2.933 20 0 GFADRO Cn1cc(-c2nc(-c3ccccc3OCC[NH+](C)C)no2)c(Br)n1 ZINC000896086815 663540264 /nfs/dbraw/zinc/54/02/64/663540264.db2.gz JEQHZSXMASWAEP-UHFFFAOYSA-N 1 0 392.257 2.840 20 0 GFADRO CCO[C@H](CNc1ncc(Cn2cc(Br)cn2)s1)C[NH+](C)C ZINC000896116831 663541348 /nfs/dbraw/zinc/54/13/48/663541348.db2.gz SRHKTVXWXZLIJE-GFCCVEGCSA-N 1 0 388.335 2.529 20 0 GFADRO O=C(Nc1nnc(-c2ccccc2Cl)s1)C1C[NH+](C2CCOCC2)C1 ZINC000896147684 663542627 /nfs/dbraw/zinc/54/26/27/663542627.db2.gz RGOABZJWHBFXDB-UHFFFAOYSA-N 1 0 378.885 2.908 20 0 GFADRO CC(C)(C)OC(=O)NC1CCN(CC[NH2+]C[C@H]2C[C@@]2(C)Br)CC1 ZINC000896344844 663552069 /nfs/dbraw/zinc/55/20/69/663552069.db2.gz PKNNDJBUNNDZDR-CXAGYDPISA-N 1 0 390.366 2.739 20 0 GFADRO C[C@]1(Br)C[C@H]1C[NH+]1CCC2(CC1)CNC(=O)c1ccccc1O2 ZINC000896445256 663557812 /nfs/dbraw/zinc/55/78/12/663557812.db2.gz UCNCOXHPYRTEIQ-GUYCJALGSA-N 1 0 379.298 2.817 20 0 GFADRO C[C@@H](NC(=O)c1cc(F)c(Br)c(Cl)c1)[C@H]1C[N@H+](C)CCN1C ZINC000896543777 663562487 /nfs/dbraw/zinc/56/24/87/663562487.db2.gz YZTQUKHYSPPWFR-NOZJJQNGSA-N 1 0 392.700 2.606 20 0 GFADRO C[C@H](CC(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCN1C)c1ccc(Br)cc1 ZINC000896551523 663563747 /nfs/dbraw/zinc/56/37/47/663563747.db2.gz DQTIBAKIAJIYRJ-KEYYUXOJSA-N 1 0 382.346 2.693 20 0 GFADRO CC[C@H](Cc1ccccc1Br)C(=O)N[C@H](C)[C@H]1C[N@H+](C)CCN1C ZINC000896557126 663564020 /nfs/dbraw/zinc/56/40/20/663564020.db2.gz RYQKOHQVKWPICG-IIDMSEBBSA-N 1 0 396.373 2.768 20 0 GFADRO C[C@H](NC(=O)c1cnc(-c2ccccc2Cl)s1)[C@@H]1C[N@H+](C)CCN1C ZINC000896563655 663564221 /nfs/dbraw/zinc/56/42/21/663564221.db2.gz MFNVBIGNYBEQIX-WFASDCNBSA-N 1 0 378.929 2.828 20 0 GFADRO C[C@H](NC(=O)c1ccc(C2SCCCS2)cc1)[C@H]1C[N@H+](C)CCN1C ZINC000896582821 663566489 /nfs/dbraw/zinc/56/64/89/663566489.db2.gz VMWVXCPGISNPHB-WMLDXEAASA-N 1 0 379.595 2.919 20 0 GFADRO CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CC(C)(C)CS(C)(=O)=O)C[C@H]1C(F)(F)F ZINC000896868813 663580169 /nfs/dbraw/zinc/58/01/69/663580169.db2.gz OSDOVGMXAYLYRX-JHJVBQTASA-N 1 0 387.464 2.557 20 0 GFADRO COCCn1cc(C[N@@H+]2CCC[C@](O)(c3ccc(Br)cc3)C2)cn1 ZINC000897032573 663587594 /nfs/dbraw/zinc/58/75/94/663587594.db2.gz DLDJORAQGZOWLA-GOSISDBHSA-N 1 0 394.313 2.776 20 0 GFADRO NS(=O)(=O)C[C@@H]1CC[N@H+](Cc2ccc(-c3cccc(Br)c3)o2)C1 ZINC000897057942 663588693 /nfs/dbraw/zinc/58/86/93/663588693.db2.gz KMBCWPWAZIXWLY-GFCCVEGCSA-N 1 0 399.310 2.820 20 0 GFADRO OCC[N@@H+]1CCC[C@@H]2[C@H]1CCN2c1ncc(Br)cc1C(F)(F)F ZINC000897220125 663595217 /nfs/dbraw/zinc/59/52/17/663595217.db2.gz SWNDPBSBILTSTL-CHWSQXEVSA-N 1 0 394.235 2.898 20 0 GFADRO O[C@H]1CCOC2(CC[NH+](Cc3nc4ccccn4c3Br)CC2)C1 ZINC000897259897 663597225 /nfs/dbraw/zinc/59/72/25/663597225.db2.gz WHKHXUDNYKHORO-ZDUSSCGKSA-N 1 0 380.286 2.603 20 0 GFADRO COC(=O)CCC1([NH2+]Cc2ccc(Cl)c(S(N)(=O)=O)c2)CCCCC1 ZINC000897336986 663601202 /nfs/dbraw/zinc/60/12/02/663601202.db2.gz GSINBOPIIJYICP-UHFFFAOYSA-N 1 0 388.917 2.733 20 0 GFADRO O=C(N[C@H]1CSc2ccc(Br)cc21)C1C[NH+](C2CCOCC2)C1 ZINC000897594139 663612980 /nfs/dbraw/zinc/61/29/80/663612980.db2.gz RFTLLWWUFXQYIN-HNNXBMFYSA-N 1 0 397.338 2.823 20 0 GFADRO COc1ccc(C[NH2+][C@@H]2Cc3cc(Br)cnc3NC2=O)cc1OC ZINC000897977767 663628015 /nfs/dbraw/zinc/62/80/15/663628015.db2.gz KBLYAYGKFMNALO-CYBMUJFWSA-N 1 0 392.253 2.514 20 0 GFADRO C[C@@H](C[NH2+]Cc1cc(C(F)(F)F)n(C)n1)c1ccc(S(C)(=O)=O)cc1 ZINC000898021226 663630369 /nfs/dbraw/zinc/63/03/69/663630369.db2.gz YUNUKJVMZFDWJY-NSHDSACASA-N 1 0 375.416 2.736 20 0 GFADRO Cc1ccc(CC(=O)N2CCC(CO)([NH2+]CC3CC3)CC2)c(Br)c1 ZINC000898109605 663633795 /nfs/dbraw/zinc/63/37/95/663633795.db2.gz AYNMURYYTHEPEZ-UHFFFAOYSA-N 1 0 395.341 2.653 20 0 GFADRO CN(C)c1cc(Cl)cc(Cl)c1C[NH2+][C@H]1CCN(c2cc(=O)[nH]cn2)C1 ZINC000898152327 663635870 /nfs/dbraw/zinc/63/58/70/663635870.db2.gz FVRHEGMGOZUIEI-LBPRGKRZSA-N 1 0 382.295 2.924 20 0 GFADRO O=c1cc(N2CC[C@H]([NH2+][C@H]3CCc4cc(Br)ccc4C3)C2)nc[nH]1 ZINC000898158007 663636181 /nfs/dbraw/zinc/63/61/81/663636181.db2.gz PPOKMRWYECHVAR-HOTGVXAUSA-N 1 0 389.297 2.671 20 0 GFADRO C[C@@H](Cc1ccc(Br)cc1)[NH2+][C@H]1CCN(c2cc(=O)[nH]cn2)C1 ZINC000898153183 663636321 /nfs/dbraw/zinc/63/63/21/663636321.db2.gz UKLSJQRXJYPLIS-WFASDCNBSA-N 1 0 377.286 2.744 20 0 GFADRO Brc1ccc2c(c1)C=C(C[NH2+]Cc1cnc3n1CCOC3)CO2 ZINC000898270255 663641601 /nfs/dbraw/zinc/64/16/01/663641601.db2.gz IOCWLEISZNMIBT-UHFFFAOYSA-N 1 0 376.254 2.741 20 0 GFADRO CC[C@H](Cc1ccc(Br)cc1)[NH2+]CCCn1ccc(=O)[nH]c1=O ZINC000898325751 663643763 /nfs/dbraw/zinc/64/37/63/663643763.db2.gz JUBKOKCUUZNCSC-OAHLLOKOSA-N 1 0 380.286 2.712 20 0 GFADRO O=c1ccn(CCC[NH2+]Cc2c(F)c(Cl)ccc2Br)c(=O)[nH]1 ZINC000898326451 663643807 /nfs/dbraw/zinc/64/38/07/663643807.db2.gz OZSXIDPIOAEYHP-UHFFFAOYSA-N 1 0 390.640 2.684 20 0 GFADRO O=c1[nH]ncc(N2CC[C@@H]([NH2+]Cc3ccc(Br)cc3)C2)c1Cl ZINC000898362836 663644619 /nfs/dbraw/zinc/64/46/19/663644619.db2.gz MVIXUNGRUOCQEI-GFCCVEGCSA-N 1 0 383.677 2.967 20 0 GFADRO Cc1cn2c(C[NH2+][C@@H]3CCN(c4cn[nH]c(=O)c4Cl)C3)c(C)nc2s1 ZINC000898363744 663644621 /nfs/dbraw/zinc/64/46/21/663644621.db2.gz XTDGGEMTTITABE-LLVKDONJSA-N 1 0 378.889 2.530 20 0 GFADRO CCn1c(C[NH2+][C@H]2COC[C@@H]2C2CC2)nc(Br)c1Br ZINC000898376735 663645624 /nfs/dbraw/zinc/64/56/24/663645624.db2.gz NVSSYRLIPVBGQA-ZJUUUORDSA-N 1 0 393.123 2.943 20 0 GFADRO CCn1c(C[NH2+][C@@H]2COC[C@@H]2C2CC2)nc(Br)c1Br ZINC000898376732 663645627 /nfs/dbraw/zinc/64/56/27/663645627.db2.gz NVSSYRLIPVBGQA-NXEZZACHSA-N 1 0 393.123 2.943 20 0 GFADRO O=C(c1ccc(OC(F)F)c(Br)c1)N1CC([NH+]2CCCC2)C1 ZINC000898597361 663657610 /nfs/dbraw/zinc/65/76/10/663657610.db2.gz GFNCELVKKLPVEK-UHFFFAOYSA-N 1 0 375.213 2.971 20 0 GFADRO O=C(NC1CC[NH+](C2CCOCC2)CC1)c1ccc(Br)cc1F ZINC000898625272 663658350 /nfs/dbraw/zinc/65/83/50/663658350.db2.gz FLPOZSLHVSSDCV-UHFFFAOYSA-N 1 0 385.277 2.961 20 0 GFADRO O=C(NC1CC[NH+](C2CCOCC2)CC1)c1cc(F)cc(Br)c1 ZINC000898630004 663658367 /nfs/dbraw/zinc/65/83/67/663658367.db2.gz AGIQVHOKGUWSNM-UHFFFAOYSA-N 1 0 385.277 2.961 20 0 GFADRO COc1cc(OC)c(C[NH2+][C@H]2CCc3ncc(Br)n3C2)c(OC)c1 ZINC000898726597 663661885 /nfs/dbraw/zinc/66/18/85/663661885.db2.gz JRTOIDFRSMVXPO-NSHDSACASA-N 1 0 396.285 2.776 20 0 GFADRO C[NH+]1CCC(NCc2cc(C(=O)Nc3ccccc3Br)no2)CC1 ZINC000899253421 663680978 /nfs/dbraw/zinc/68/09/78/663680978.db2.gz PETFCPKYVDMPIZ-UHFFFAOYSA-N 1 0 393.285 2.873 20 0 GFADRO C[N@@H+]1C[C@@H]2CN([C@H]3CC(=O)N(c4cccc(Cl)c4Cl)C3=O)C[C@]2(C)C1 ZINC000899255105 663681179 /nfs/dbraw/zinc/68/11/79/663681179.db2.gz RBNITCPRMVOYMA-VZSAFFHGSA-N 1 0 382.291 2.509 20 0 GFADRO Cc1ccc(NC(=O)c2ccnn2CC[NH+](C)C)cc1I ZINC000899947594 663703389 /nfs/dbraw/zinc/70/33/89/663703389.db2.gz ZHNDJCYLVCWKRV-UHFFFAOYSA-N 1 0 398.248 2.610 20 0 GFADRO O=C(NCc1ccc(Br)cc1)C1CCC([NH+]2CCOCC2)CC1 ZINC000900306480 663712046 /nfs/dbraw/zinc/71/20/46/663712046.db2.gz RLNHFBQFSFUWOP-UHFFFAOYSA-N 1 0 381.314 2.956 20 0 GFADRO O=C(c1cc2ncc(Br)cn2n1)N1CCC([NH+]2CCCCC2)CC1 ZINC000900363553 663713298 /nfs/dbraw/zinc/71/32/98/663713298.db2.gz GNOQZTUMSDJZHU-UHFFFAOYSA-N 1 0 392.301 2.582 20 0 GFADRO CN(CC[N@H+](C)C1CCCCC1)C(=O)c1cc2ncc(Br)cn2n1 ZINC000900411461 663714233 /nfs/dbraw/zinc/71/42/33/663714233.db2.gz JCSMYJMLBBNLEH-UHFFFAOYSA-N 1 0 394.317 2.828 20 0 GFADRO O=C(N[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1nc(Br)cs1 ZINC000900483041 663715350 /nfs/dbraw/zinc/71/53/50/663715350.db2.gz BXCPVGMUTTUWBX-ZBEGNZNMSA-N 1 0 394.294 2.891 20 0 GFADRO CC[NH2+]Cc1ccn(Cc2cn(Cc3cccc(C)c3Br)nn2)n1 ZINC000900607089 663717997 /nfs/dbraw/zinc/71/79/97/663717997.db2.gz FWROZRQZWAMOQN-UHFFFAOYSA-N 1 0 389.301 2.752 20 0 GFADRO CC(C)[NH+]1CCN(CCC(=O)NCCCc2cccc(Br)c2)CC1 ZINC000900635429 663718604 /nfs/dbraw/zinc/71/86/04/663718604.db2.gz RHQWNAZWTWQDOX-UHFFFAOYSA-N 1 0 396.373 2.914 20 0 GFADRO COc1cc(Br)cc(CNC(=O)[C@H]([NH2+]C2CCOCC2)C(C)C)c1 ZINC000900682701 663719578 /nfs/dbraw/zinc/71/95/78/663719578.db2.gz OVOYAYKZPVVVRX-QGZVFWFLSA-N 1 0 399.329 2.867 20 0 GFADRO Cc1ccc(F)c(Br)c1C(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000900954188 663727581 /nfs/dbraw/zinc/72/75/81/663727581.db2.gz HTVSGUHALFVYNT-UHFFFAOYSA-N 1 0 386.309 2.652 20 0 GFADRO C[N@@H+]1C[C@@H](O)C[C@@]1(C)C(=O)NCc1cc(Cl)cc(Cl)c1OC(F)F ZINC000901017080 663728954 /nfs/dbraw/zinc/72/89/54/663728954.db2.gz KCRKLWHZUULYOD-BONVTDFDSA-N 1 0 383.222 2.666 20 0 GFADRO C[NH+](C)CCn1nccc1C(=O)N1CCc2c(F)cc(Br)cc2C1 ZINC000901044030 663729373 /nfs/dbraw/zinc/72/93/73/663729373.db2.gz YJKOTZKONBYPIY-UHFFFAOYSA-N 1 0 395.276 2.545 20 0 GFADRO CCn1c(Br)ncc1C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000901160484 663731421 /nfs/dbraw/zinc/73/14/21/663731421.db2.gz XCIQSNCATVFDPI-TZMCWYRMSA-N 1 0 381.318 2.754 20 0 GFADRO O=C(CN1CCC[NH2+]CC1)NCc1cc(-c2cccc(Cl)c2Cl)no1 ZINC000901399877 663735195 /nfs/dbraw/zinc/73/51/95/663735195.db2.gz YEEUXHYAONLJJP-UHFFFAOYSA-N 1 0 383.279 2.560 20 0 GFADRO CCc1noc([C@@H]2CC[C@H]([NH2+][C@@H](C(N)=O)c3ccc(Br)cc3)C2)n1 ZINC000901617737 663739685 /nfs/dbraw/zinc/73/96/85/663739685.db2.gz CTFIVRZQRPTYJR-OSAQELSMSA-N 1 0 393.285 2.847 20 0 GFADRO COC(=O)[C@@H](NC[C@@H]1CC[N@@H+]1C1CCOCC1)c1cccc(Br)c1 ZINC000901622764 663740022 /nfs/dbraw/zinc/74/00/22/663740022.db2.gz FXTOUXCIOSLVSF-IRXDYDNUSA-N 1 0 397.313 2.506 20 0 GFADRO CC(C)(C)[NH2+]CCC(=O)Nc1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 ZINC000901683827 663741853 /nfs/dbraw/zinc/74/18/53/663741853.db2.gz FYTMKFOCUQEOMX-UHFFFAOYSA-N 1 0 381.523 2.930 20 0 GFADRO NC(=O)[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]CCOC1CCSCC1 ZINC000901707006 663742736 /nfs/dbraw/zinc/74/27/36/663742736.db2.gz SYFMCPQASVQEKG-OAHLLOKOSA-N 1 0 376.444 2.604 20 0 GFADRO C[NH+]1CCC(N(C(=O)c2ncc(Br)cn2)c2ccccc2)CC1 ZINC000902681664 663766048 /nfs/dbraw/zinc/76/60/48/663766048.db2.gz DGGNWQNNJDARHI-UHFFFAOYSA-N 1 0 375.270 2.980 20 0 GFADRO CCCn1cc([C@H](C)[NH2+]C[C@@H](CO)Cc2ccc(Br)cc2)nn1 ZINC000902973892 663770140 /nfs/dbraw/zinc/77/01/40/663770140.db2.gz XWNNLCZUQPNNRR-ZFWWWQNUSA-N 1 0 381.318 2.952 20 0 GFADRO C[C@H]([NH2+]CCCN1CCCC1=O)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000903058684 663772354 /nfs/dbraw/zinc/77/23/54/663772354.db2.gz JMVTZWFPHPXNAQ-LBPRGKRZSA-N 1 0 378.416 2.643 20 0 GFADRO C[C@H]([NH2+]CCOC[C@H]1CCOC1)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000903094006 663773142 /nfs/dbraw/zinc/77/31/42/663773142.db2.gz WEFSUPUIITVSFP-STQMWFEESA-N 1 0 381.416 2.684 20 0 GFADRO C[C@H](C[C@@H](C)[NH2+]CC1CCC(S(C)(=O)=O)CC1)NC(=O)OC(C)(C)C ZINC000903154322 663776307 /nfs/dbraw/zinc/77/63/07/663776307.db2.gz LAISXKYSOMCHBN-WXLSXGNJSA-N 1 0 376.563 2.871 20 0 GFADRO Brc1ccc(-n2cc(C[NH2+][C@H]3CCO[C@@]34CCOC4)cn2)cc1 ZINC000903160756 663776412 /nfs/dbraw/zinc/77/64/12/663776412.db2.gz MYNUJSAVLUUOSO-DLBZAZTESA-N 1 0 378.270 2.672 20 0 GFADRO Clc1ccc(I)c(C[NH2+][C@@H]2CCO[C@]23CCOC3)c1 ZINC000903198744 663778275 /nfs/dbraw/zinc/77/82/75/663778275.db2.gz FJESYWXUBPVOPT-KGLIPLIRSA-N 1 0 393.652 2.982 20 0 GFADRO CS(C)(=O)=NS(=O)(=O)CC[NH2+][C@H]1CCC[C@H]1Cc1ccc(Cl)cc1 ZINC000903227553 663779310 /nfs/dbraw/zinc/77/93/10/663779310.db2.gz UCBHCUNNZKVBTN-HOCLYGCPSA-N 1 0 392.974 2.698 20 0 GFADRO C[C@H]([NH2+][C@@H]1Cc2cc(Br)cnc2NC1=O)c1cccc(CO)c1 ZINC000903322750 663781755 /nfs/dbraw/zinc/78/17/55/663781755.db2.gz BPXGEGOLWRKQHW-ZUZCIYMTSA-N 1 0 376.254 2.550 20 0 GFADRO CO[C@]1(C[NH2+][C@H](c2ccc(Br)s2)C2CC2)CCS(=O)(=O)C1 ZINC000903362088 663782587 /nfs/dbraw/zinc/78/25/87/663782587.db2.gz CPXTZGALENDKGN-KBPBESRZSA-N 1 0 394.356 2.755 20 0 GFADRO CO[C@]1(C[NH2+][C@H]2CCCc3cc(Br)ccc32)CCS(=O)(=O)C1 ZINC000903363602 663782678 /nfs/dbraw/zinc/78/26/78/663782678.db2.gz PGVSBQZYYIWVNT-HOTGVXAUSA-N 1 0 388.327 2.620 20 0 GFADRO CC[C@@H]([NH2+]C[C@@]1(OC)CCS(=O)(=O)C1)c1cc(F)cc(Br)c1 ZINC000903366011 663783036 /nfs/dbraw/zinc/78/30/36/663783036.db2.gz RPVYHQBQXAQFJU-CABCVRRESA-N 1 0 394.306 2.833 20 0 GFADRO CO[C@]1(C[NH2+][C@@H](C)c2sc(-c3ccccc3)nc2C)CCS(=O)(=O)C1 ZINC000903369453 663783250 /nfs/dbraw/zinc/78/32/50/663783250.db2.gz XNFIHBODVDMGKA-UGSOOPFHSA-N 1 0 380.535 2.973 20 0 GFADRO C[C@@H]([NH2+]CC1(O)CCC2(CC1)OCCO2)c1ncc(Br)cc1F ZINC000903373717 663783306 /nfs/dbraw/zinc/78/33/06/663783306.db2.gz XMCRCFFTKRUOND-LLVKDONJSA-N 1 0 389.265 2.682 20 0 GFADRO O=c1cc(N2CC[C@H]([NH2+][C@H]3CCc4sc(Br)cc43)C2)nc[nH]1 ZINC000903398460 663783786 /nfs/dbraw/zinc/78/37/86/663783786.db2.gz KCADGWVQGHKLOS-ONGXEEELSA-N 1 0 381.299 2.862 20 0 GFADRO C[C@@H]([NH2+]Cc1cccc(N(C)S(C)(=O)=O)c1)c1ccc([S@](C)=O)cc1 ZINC000903424095 663784422 /nfs/dbraw/zinc/78/44/22/663784422.db2.gz LYHUAMMHDRHJPS-SHACYNPGSA-N 1 0 380.535 2.671 20 0 GFADRO CC[C@H]([NH2+]CCCn1ccc(=O)[nH]c1=O)c1cc(F)cc(Br)c1 ZINC000903432980 663784468 /nfs/dbraw/zinc/78/44/68/663784468.db2.gz SYARVVBNMHCIKZ-AWEZNQCLSA-N 1 0 384.249 2.982 20 0 GFADRO C[C@@H]([NH2+][C@@H]1CCN(c2cn[nH]c(=O)c2Cl)C1)c1ccc(Br)nc1 ZINC000903434254 663784727 /nfs/dbraw/zinc/78/47/27/663784727.db2.gz KWZBOEQCCITKKV-MWLCHTKSSA-N 1 0 398.692 2.923 20 0 GFADRO C[C@@H]([NH2+][C@H]1CCN(c2cn[nH]c(=O)c2Cl)C1)c1ccc(Br)cn1 ZINC000903433577 663784728 /nfs/dbraw/zinc/78/47/28/663784728.db2.gz BZQSELJZLBUAGG-KOLCDFICSA-N 1 0 398.692 2.923 20 0 GFADRO C[NH2+]C1CCN(S(=O)(=O)Cc2cccc(Cl)c2Br)CC1 ZINC000903513024 663786269 /nfs/dbraw/zinc/78/62/69/663786269.db2.gz OAASBWRETNXANV-UHFFFAOYSA-N 1 0 381.723 2.616 20 0 GFADRO [NH3+]C[C@H]1CC[C@H](NS(=O)(=O)c2c[nH]c3cc(Br)ccc23)CC1 ZINC000903516394 663786661 /nfs/dbraw/zinc/78/66/61/663786661.db2.gz MPFCMPFWZKMQJA-UMSPYCQHSA-N 1 0 386.315 2.726 20 0 GFADRO [NH3+]CC[C@H]1CCCN(S(=O)(=O)Cc2cccc(Cl)c2Br)C1 ZINC000903517195 663786722 /nfs/dbraw/zinc/78/67/22/663786722.db2.gz CSRKTDWTZMTORX-LLVKDONJSA-N 1 0 395.750 2.993 20 0 GFADRO C[C@@H]1C[NH2+]CC[C@H]1NS(=O)(=O)Cc1cccc(Cl)c1Br ZINC000903519083 663786866 /nfs/dbraw/zinc/78/68/66/663786866.db2.gz WKMATNFAPIXMKE-BXKDBHETSA-N 1 0 381.723 2.520 20 0 GFADRO C[C@]1(C[NH3+])CCN(S(=O)(=O)Cc2cccc(Cl)c2Br)C1 ZINC000903518643 663786882 /nfs/dbraw/zinc/78/68/82/663786882.db2.gz NDRJVOIXHLQENF-CYBMUJFWSA-N 1 0 381.723 2.603 20 0 GFADRO [NH3+][C@H]1CN(CC(=O)Nc2ccccc2Br)CC[C@@H]1C(F)(F)F ZINC000903533907 663787581 /nfs/dbraw/zinc/78/75/81/663787581.db2.gz LWCUCKKMNPUSNZ-ONGXEEELSA-N 1 0 380.208 2.599 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CN1CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000903534082 663787585 /nfs/dbraw/zinc/78/75/85/663787585.db2.gz KBASSJKXGQJJDH-NEPJUHHUSA-N 1 0 394.235 2.908 20 0 GFADRO O=S(=O)(c1cc(Cl)cc(Cl)c1)N1CC[NH2+]CCC12CCOCC2 ZINC000903546513 663788202 /nfs/dbraw/zinc/78/82/02/663788202.db2.gz LOBXAAIKQKUENT-UHFFFAOYSA-N 1 0 379.309 2.527 20 0 GFADRO COC(=O)c1scc(C)c1S(=O)(=O)N1CCCC[C@@H]1C1(C[NH3+])CCC1 ZINC000903548002 663788266 /nfs/dbraw/zinc/78/82/66/663788266.db2.gz VPTRAWVLUBXNKI-CYBMUJFWSA-N 1 0 386.539 2.515 20 0 GFADRO O=S(=O)(N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)c1ccc2ccccc2c1Br ZINC000903561717 663788656 /nfs/dbraw/zinc/78/86/56/663788656.db2.gz VPRMLBVUOSGCSK-IACUBPJLSA-N 1 0 381.295 2.774 20 0 GFADRO [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(S(=O)(=O)c1oc3ccccc3c1Br)C2 ZINC000903575512 663789632 /nfs/dbraw/zinc/78/96/32/663789632.db2.gz BCQDAZFMHZIFDJ-DCAQKATOSA-N 1 0 385.283 2.696 20 0 GFADRO [NH3+][C@@H]1CN(S(=O)(=O)c2ccc3ccnc(Cl)c3c2)CC[C@H]1C(F)(F)F ZINC000903581623 663790442 /nfs/dbraw/zinc/79/04/42/663790442.db2.gz ORPKBIPZMWXXCS-CHWSQXEVSA-N 1 0 393.818 2.788 20 0 GFADRO CN(CCOc1ccc(Cl)cc1Br)C1(C[NH3+])CCOCC1 ZINC000903807401 663807209 /nfs/dbraw/zinc/80/72/09/663807209.db2.gz CVCXZJXTALEMMV-UHFFFAOYSA-N 1 0 377.710 2.921 20 0 GFADRO [NH3+]C[C@]12CC[C@@H]1CCCN2CC(=O)Nc1c(F)cc(F)cc1Br ZINC000903798365 663807274 /nfs/dbraw/zinc/80/72/74/663807274.db2.gz NJCYCUMKVKBCSG-MGPLVRAMSA-N 1 0 388.256 2.869 20 0 GFADRO CN(Cc1ccnc(-c2ccc(Br)cc2)n1)C1(C[NH3+])CCOCC1 ZINC000903810012 663807294 /nfs/dbraw/zinc/80/72/94/663807294.db2.gz QPCZZTJGYXLMQX-UHFFFAOYSA-N 1 0 391.313 2.846 20 0 GFADRO [NH3+]C[C@]12CC[C@@H]1CCN2Cc1nc(Cc2cccc(Br)c2)no1 ZINC000903855548 663809046 /nfs/dbraw/zinc/80/90/46/663809046.db2.gz NNFUPFUBSWEFNS-CXAGYDPISA-N 1 0 377.286 2.736 20 0 GFADRO COC[C@@H]1C[NH2+]CCN1CC(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000903875617 663809753 /nfs/dbraw/zinc/80/97/53/663809753.db2.gz GAVYDRMIRKUCES-YOEHRIQHSA-N 1 0 386.323 2.577 20 0 GFADRO [NH3+][C@H](CC(F)F)CN1CCN(Cc2ccc(Br)c(F)c2)CC1 ZINC000903909624 663810913 /nfs/dbraw/zinc/81/09/13/663810913.db2.gz GQRDCSNUFUTXSI-GFCCVEGCSA-N 1 0 380.252 2.688 20 0 GFADRO Cc1c(C[C@H](C[NH3+])CN2CCOc3ccc(Br)cc3C2)cnn1C ZINC000903917526 663811417 /nfs/dbraw/zinc/81/14/17/663811417.db2.gz ZGLUAWOKWGOJKZ-CQSZACIVSA-N 1 0 393.329 2.503 20 0 GFADRO Brc1cccc(-c2nc(-c3noc([C@H]4[C@@H]5CC[NH2+]C[C@@H]54)n3)n[nH]2)c1 ZINC000904117250 663825077 /nfs/dbraw/zinc/82/50/77/663825077.db2.gz VSKZARRKJCCIBM-WOPDTQHZSA-N 1 0 387.241 2.607 20 0 GFADRO C[C@@H]1CCCN(C(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)[C@@H]1CC[NH3+] ZINC000904278373 663829941 /nfs/dbraw/zinc/82/99/41/663829941.db2.gz HSAKZMDHSNCDKD-BXUZGUMPSA-N 1 0 375.441 2.664 20 0 GFADRO COC(=O)c1cc(NC(=O)N2CCC[C@@]23CC[NH2+]C3)ccc1Br ZINC000904406626 663833116 /nfs/dbraw/zinc/83/31/16/663833116.db2.gz IFQQBBXVZQAJJW-INIZCTEOSA-N 1 0 382.258 2.596 20 0 GFADRO COCCOc1ccc(NC(=O)N2CC[C@](C)(C[NH3+])C2)cc1Br ZINC000904550608 663837672 /nfs/dbraw/zinc/83/76/72/663837672.db2.gz HBGDPQQYHQPYHP-MRXNPFEDSA-N 1 0 386.290 2.677 20 0 GFADRO COCCOc1ccc(NC(=O)N[C@H]2CC[NH2+][C@H](C)C2)cc1Br ZINC000904550539 663837677 /nfs/dbraw/zinc/83/76/77/663837677.db2.gz GONXRDBGCDPZCI-YPMHNXCESA-N 1 0 386.290 2.736 20 0 GFADRO COCCOc1ccc(NC(=O)N2CCC[C@@H](C[NH3+])C2)cc1Br ZINC000904551534 663837967 /nfs/dbraw/zinc/83/79/67/663837967.db2.gz MXUXSTZKMYDOCH-LBPRGKRZSA-N 1 0 386.290 2.677 20 0 GFADRO C[C@H]([NH3+])C1(c2nc(Cc3ccc(F)c(Br)c3)no2)CCOCC1 ZINC000904665721 663839766 /nfs/dbraw/zinc/83/97/66/663839766.db2.gz NYOZSWYEFYQPCZ-JTQLQIEISA-N 1 0 384.249 2.957 20 0 GFADRO [NH3+]CCN1CCC[C@@H](c2nc(COc3cccc(Cl)c3Cl)no2)C1=O ZINC000904733913 663842728 /nfs/dbraw/zinc/84/27/28/663842728.db2.gz RXGGRKIJKZDFOC-JTQLQIEISA-N 1 0 385.251 2.620 20 0 GFADRO O=C(CC[NH2+]C[C@H](O)CC1(CO)CCCC1)Nc1ccc(Br)cc1 ZINC000905059200 663850963 /nfs/dbraw/zinc/85/09/63/663850963.db2.gz LIDBDVMBTGGTIP-MRXNPFEDSA-N 1 0 399.329 2.671 20 0 GFADRO CON(C)C(=O)[C@H](CCSC)[NH2+]C[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC000905163619 663856069 /nfs/dbraw/zinc/85/60/69/663856069.db2.gz AVJYTZVZEGBILK-UONOGXRCSA-N 1 0 381.325 2.758 20 0 GFADRO CS[C@H](C)C[NH2+]C[C@@H](O)c1ccc2c(c1)CN(C(=O)C(F)(F)F)CC2 ZINC000905182063 663856922 /nfs/dbraw/zinc/85/69/22/663856922.db2.gz VMLGUHJWLXCUPQ-IAQYHMDHSA-N 1 0 376.444 2.508 20 0 GFADRO C[C@@H](CCCC(F)(F)F)[NH2+]C[C@@H](O)C1(S(=O)(=O)NC(C)(C)C)CCC1 ZINC000905230611 663860690 /nfs/dbraw/zinc/86/06/90/663860690.db2.gz GKKPFPSZIMKLOJ-QWHCGFSZSA-N 1 0 388.496 2.699 20 0 GFADRO CC[C@@](O)(C[NH2+]Cc1ccc(S(C)(=O)=O)c(C(F)(F)F)c1)C(F)(F)F ZINC000905236219 663861308 /nfs/dbraw/zinc/86/13/08/663861308.db2.gz DWWDQBLIJFLVCL-GFCCVEGCSA-N 1 0 393.349 2.902 20 0 GFADRO O=S(=O)(CC1CC[NH2+]CC1)N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000905332094 663865935 /nfs/dbraw/zinc/86/59/35/663865935.db2.gz UQDNOBNTMFQIAA-OAHLLOKOSA-N 1 0 379.551 2.805 20 0 GFADRO OC[C@@H](C[C@@H](O)c1ccccc1)[NH2+]C[C@H](O)c1ccc(Br)cc1 ZINC000905364534 663867618 /nfs/dbraw/zinc/86/76/18/663867618.db2.gz DIUAIRSSHXZCIF-KURKYZTESA-N 1 0 380.282 2.557 20 0 GFADRO C[C@](O)(C[NH2+]Cc1ccnc(N2CCSCC2)c1)C(F)(F)C(F)(F)F ZINC000905402196 663869878 /nfs/dbraw/zinc/86/98/78/663869878.db2.gz AFMMVEMOOOPLAN-ZDUSSCGKSA-N 1 0 385.402 2.673 20 0 GFADRO Cc1ccc(Cl)c(OC[C@@H](O)C[NH2+]C[C@H](O)C(F)(F)C(F)(F)F)c1 ZINC000905448557 663871973 /nfs/dbraw/zinc/87/19/73/663871973.db2.gz XMUDOZMFLMWHES-CABZTGNLSA-N 1 0 377.737 2.536 20 0 GFADRO CC(C)O[C@@]1(C[NH2+]C[C@H](O)c2ccc(F)c(Br)c2)CCOC1 ZINC000905555142 663878262 /nfs/dbraw/zinc/87/82/62/663878262.db2.gz FIWUYYPXTIEYCJ-JKSUJKDBSA-N 1 0 376.266 2.795 20 0 GFADRO O[C@H](C[NH2+]Cc1c(Cl)cc(Br)cc1Cl)C[C@@]1(O)CCOC1 ZINC000905616940 663881717 /nfs/dbraw/zinc/88/17/17/663881717.db2.gz AYQGSVAWTXHMHM-HZMBPMFUSA-N 1 0 399.112 2.748 20 0 GFADRO COC(=O)[C@H]1C[C@@H]2C[C@H]([NH2+]CCC(=O)Nc3ccc(Br)cc3)[C@@H]2C1 ZINC000905653878 663884070 /nfs/dbraw/zinc/88/40/70/663884070.db2.gz LRKAVESKCMHGPA-KOZAUXTDSA-N 1 0 395.297 2.955 20 0 GFADRO CC(C)n1cc(Br)c(C(=O)N(CC[NH+](C)C)Cc2ccccn2)n1 ZINC000906608201 663960531 /nfs/dbraw/zinc/96/05/31/663960531.db2.gz NSUPCXRRTKHSTM-UHFFFAOYSA-N 1 0 394.317 2.826 20 0 GFADRO CC(C)(C[NH3+])C1CCN(C(=O)C(=O)Nc2ccc(Br)cc2)CC1 ZINC000906691395 663965346 /nfs/dbraw/zinc/96/53/46/663965346.db2.gz QVPIRQPAKCDYFU-UHFFFAOYSA-N 1 0 382.302 2.611 20 0 GFADRO CC1(C)C[NH2+]C[C@H]1NC(=O)C(=O)Nc1ccc(-c2ccc(Cl)s2)nc1 ZINC000906700326 663965884 /nfs/dbraw/zinc/96/58/84/663965884.db2.gz HZQOCEVWMOLMHS-CYBMUJFWSA-N 1 0 378.885 2.516 20 0 GFADRO Cc1cc(NC(=O)C(=O)NC2(C3CC[NH2+]CC3)CC2)cc(C)c1Br ZINC000906717345 663966696 /nfs/dbraw/zinc/96/66/96/663966696.db2.gz NPZMZLYAYMHZTQ-UHFFFAOYSA-N 1 0 394.313 2.653 20 0 GFADRO O=C(NC[C@@H]1CCCCC[NH2+]1)C(=O)Nc1ccc(Cl)cc1OC(F)F ZINC000906741035 663968003 /nfs/dbraw/zinc/96/80/03/663968003.db2.gz XSCPOVGCXMHVOG-NSHDSACASA-N 1 0 375.803 2.528 20 0 GFADRO Cc1c(C(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)nnn1-c1ccccc1Br ZINC000906797946 663971928 /nfs/dbraw/zinc/97/19/28/663971928.db2.gz MOVXDFBANOQIMN-YPMHNXCESA-N 1 0 392.301 2.551 20 0 GFADRO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2cccn3ncc(Br)c23)C1 ZINC000906843836 663976015 /nfs/dbraw/zinc/97/60/15/663976015.db2.gz HDZVQOAONUBTBH-CYBMUJFWSA-N 1 0 379.302 2.901 20 0 GFADRO C[NH+](C)C[C@@H]1CCN(S(=O)(=O)c2c[nH]c3cc(Br)ccc32)C1 ZINC000906949940 663985360 /nfs/dbraw/zinc/98/53/60/663985360.db2.gz CGZBSSXMPDKIJF-NSHDSACASA-N 1 0 386.315 2.503 20 0 GFADRO Cc1cc(Br)c(CC(=O)NCC2(O)CC[NH+](C(C)C)CC2)s1 ZINC000907000662 663991002 /nfs/dbraw/zinc/99/10/02/663991002.db2.gz RWKYYJUOQSENDL-UHFFFAOYSA-N 1 0 389.359 2.713 20 0 GFADRO CC(C)n1cc(Br)c(C(=O)N2CC[C@H](OCC[NH+]3CCCC3)C2)n1 ZINC000907017418 663993132 /nfs/dbraw/zinc/99/31/32/663993132.db2.gz NMIJHYMCTPFCQI-AWEZNQCLSA-N 1 0 399.333 2.553 20 0 GFADRO C[NH+]1CCC2(CCCN2C(=O)c2cccn3ncc(Br)c23)CC1 ZINC000907191852 664010597 /nfs/dbraw/zinc/01/05/97/664010597.db2.gz NHZIFJUXQWWMMJ-UHFFFAOYSA-N 1 0 377.286 2.797 20 0 GFADRO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)S(=O)(=O)N(C)[C@@H](C)C3CC3)C2)s1 ZINC000907347914 664026852 /nfs/dbraw/zinc/02/68/52/664026852.db2.gz XBUJIIOGRWNCDY-HOTGVXAUSA-N 1 0 385.599 2.785 20 0 GFADRO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)S(=O)(=O)N(C)[C@H](C)C3CC3)C2)s1 ZINC000907347913 664026912 /nfs/dbraw/zinc/02/69/12/664026912.db2.gz XBUJIIOGRWNCDY-CVEARBPZSA-N 1 0 385.599 2.785 20 0 GFADRO O=C(NC1CC([NH+]2CCCCC2)C1)c1cccn2ncc(Br)c12 ZINC000907905222 664070225 /nfs/dbraw/zinc/07/02/25/664070225.db2.gz ANVRDVFPTHHTCZ-UHFFFAOYSA-N 1 0 377.286 2.844 20 0 GFADRO C[C@@H](NC(=O)c1ccnn1CC[NH+](C)C)c1ccc(Br)cc1F ZINC000908181860 664090202 /nfs/dbraw/zinc/09/02/02/664090202.db2.gz PQNOCYQEQGRKEX-LLVKDONJSA-N 1 0 383.265 2.837 20 0 GFADRO Cc1c(C(=O)N2CC[C@H]([NH+](C)C)[C@@H]2C)nnn1-c1ccccc1Br ZINC000908413451 664104961 /nfs/dbraw/zinc/10/49/61/664104961.db2.gz LGZVXXQTHWBKIY-FZMZJTMJSA-N 1 0 392.301 2.503 20 0 GFADRO C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1cccn3ncc(Br)c13)C2 ZINC000908537457 664113077 /nfs/dbraw/zinc/11/30/77/664113077.db2.gz XQFBURHRVTXXTD-KRWDZBQOSA-N 1 0 377.286 2.655 20 0 GFADRO CC(C)[NH2+]C1(CO)CCN(C(=O)CCOc2cccc(Br)c2)CC1 ZINC000908585429 664115670 /nfs/dbraw/zinc/11/56/70/664115670.db2.gz LAEKZGBUYBHXQS-UHFFFAOYSA-N 1 0 399.329 2.570 20 0 GFADRO CC(C)[NH2+]C1(CO)CCN(C(=O)CCOc2ccccc2Br)CC1 ZINC000908593012 664116059 /nfs/dbraw/zinc/11/60/59/664116059.db2.gz JSBIMTLQFCWFTA-UHFFFAOYSA-N 1 0 399.329 2.570 20 0 GFADRO Cc1cc(Br)c(F)c(C(=O)N2CCC(CO)([NH2+]C(C)C)CC2)c1 ZINC000908613359 664117783 /nfs/dbraw/zinc/11/77/83/664117783.db2.gz WHJNCBSYBSFGIU-UHFFFAOYSA-N 1 0 387.293 2.862 20 0 GFADRO O=C(Nc1cc(O)cc(Br)c1)C1CCC([NH+]2CCOCC2)CC1 ZINC000909065320 664143393 /nfs/dbraw/zinc/14/33/93/664143393.db2.gz JDBKVZRDHCXHFS-UHFFFAOYSA-N 1 0 383.286 2.984 20 0 GFADRO CCn1c(Br)ncc1C(=O)Nc1ccc(C[NH+](C)C)cc1OC ZINC000909469468 664160135 /nfs/dbraw/zinc/16/01/35/664160135.db2.gz RJPGIGGYJOPAFV-UHFFFAOYSA-N 1 0 381.274 2.988 20 0 GFADRO C[NH+](C)CC(C)(C)NC(=O)c1ccc(Cn2cc(Br)cn2)s1 ZINC000909561627 664163150 /nfs/dbraw/zinc/16/31/50/664163150.db2.gz ZMZCDSAXSXINDV-UHFFFAOYSA-N 1 0 385.331 2.825 20 0 GFADRO Cc1cc(NC(=O)c2cn(C)nc2I)ccc1C[NH+](C)C ZINC000909927893 664184191 /nfs/dbraw/zinc/18/41/91/664184191.db2.gz ZQSCNDYZPJOTCN-UHFFFAOYSA-N 1 0 398.248 2.647 20 0 GFADRO CC[N@@H+]1CCCN(C(=O)[C@@]2(C)CC2(Br)Br)[C@H](C)C1 ZINC000910268016 664203830 /nfs/dbraw/zinc/20/38/30/664203830.db2.gz VPFYHHMEIBBYDM-ZYHUDNBSSA-N 1 0 382.140 2.825 20 0 GFADRO CC[N@@H+]1CCCN(C(=O)c2cnc3ncc(Br)cc3c2)[C@H](C)C1 ZINC000910281470 664204380 /nfs/dbraw/zinc/20/43/80/664204380.db2.gz ZBTXVLKEZUAQPM-GFCCVEGCSA-N 1 0 377.286 2.949 20 0 GFADRO CC(C)(C)[N@@H+]1CCc2nc(NC(=O)CN3CSCCSC3)sc2C1 ZINC000911300264 664243063 /nfs/dbraw/zinc/24/30/63/664243063.db2.gz IRFCJMBVZVMIDW-UHFFFAOYSA-N 1 0 386.612 2.935 20 0 GFADRO [NH3+]C1(CNC(=O)C[C@H]2C(=O)Nc3c2cccc3Br)CCCCC1 ZINC000911651927 664251606 /nfs/dbraw/zinc/25/16/06/664251606.db2.gz JRMGJMRJETZTNG-GFCCVEGCSA-N 1 0 380.286 2.653 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)c1cc(Br)cnc1Br ZINC000911685978 664253075 /nfs/dbraw/zinc/25/30/75/664253075.db2.gz XENQWYVGTHSYLI-GZMMTYOYSA-N 1 0 391.107 2.949 20 0 GFADRO C[C@H](NC(=O)c1cc2ccc(Br)cc2c(=O)o1)[C@H]1CCC[NH2+]C1 ZINC000911726580 664254259 /nfs/dbraw/zinc/25/42/59/664254259.db2.gz UEZPMUMUTRJVRE-JQWIXIFHSA-N 1 0 379.254 2.673 20 0 GFADRO COc1ccc(Br)cc1-c1ncc(C(=O)N2CC[C@H]([NH3+])C2)s1 ZINC000911738531 664254738 /nfs/dbraw/zinc/25/47/38/664254738.db2.gz MCVZJLKQXNZWTG-JTQLQIEISA-N 1 0 382.283 2.754 20 0 GFADRO C[NH2+]CC1CCN(C(=O)c2cc(Br)c(Br)[nH]2)CC1 ZINC000911778591 664256399 /nfs/dbraw/zinc/25/63/99/664256399.db2.gz JECJCCQXLSANMJ-UHFFFAOYSA-N 1 0 379.096 2.611 20 0 GFADRO [NH3+]C[C@H](NC(=O)c1cc(Br)cn(C2CC2)c1=O)C1CCCCC1 ZINC000911817398 664256992 /nfs/dbraw/zinc/25/69/92/664256992.db2.gz CKLDENQWYBSVSW-HNNXBMFYSA-N 1 0 382.302 2.583 20 0 GFADRO C[C@@H]1CCCN(C(=O)c2cc3ccc(Br)cc3c(=O)o2)[C@H]1C[NH3+] ZINC000911821462 664257528 /nfs/dbraw/zinc/25/75/28/664257528.db2.gz GUWFYOFORDEWAL-YGRLFVJLSA-N 1 0 379.254 2.755 20 0 GFADRO CC(C)c1ncc(Br)c(C(=O)N2CCC([NH2+]CC3CC3)CC2)n1 ZINC000911839726 664258434 /nfs/dbraw/zinc/25/84/34/664258434.db2.gz AQTPJPSHUYNKEV-UHFFFAOYSA-N 1 0 381.318 2.967 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CN(C(=O)c2cc(Br)c(C(F)(F)F)cc2F)CCO1 ZINC000911885038 664260847 /nfs/dbraw/zinc/26/08/47/664260847.db2.gz SVVGEWJAGQRVTQ-JMCQJSRRSA-N 1 0 399.182 2.795 20 0 GFADRO CC[C@@H](Cc1ccccc1Br)C(=O)N(CCO)C1CC[NH+](C)CC1 ZINC000911940553 664262804 /nfs/dbraw/zinc/26/28/04/664262804.db2.gz QSJAWSHVNYFUOS-HNNXBMFYSA-N 1 0 397.357 2.933 20 0 GFADRO C[NH+]1CCC(N(CCO)C(=O)COc2c(Cl)cc(Cl)cc2Cl)CC1 ZINC000911942093 664262823 /nfs/dbraw/zinc/26/28/23/664262823.db2.gz KQVITNFKVJFJRE-UHFFFAOYSA-N 1 0 395.714 2.941 20 0 GFADRO C[NH+]1CCC(N(CCO)C(=O)c2nc3ccccc3cc2Br)CC1 ZINC000911943014 664263294 /nfs/dbraw/zinc/26/32/94/664263294.db2.gz SLQWLBZKKQQQLV-UHFFFAOYSA-N 1 0 392.297 2.526 20 0 GFADRO [NH3+]CCNCC(=O)Nc1nnc(SCc2c(Cl)cccc2Cl)s1 ZINC000911972702 664264510 /nfs/dbraw/zinc/26/45/10/664264510.db2.gz ZAZURVYIWRLFIP-UHFFFAOYSA-N 1 0 392.337 2.624 20 0 GFADRO O=C(CC1([NH+]2CCOCC2)CCCC1)Nc1ccc(Br)c(CO)c1 ZINC000912170149 664273651 /nfs/dbraw/zinc/27/36/51/664273651.db2.gz LQAYIVIWWWWCFF-UHFFFAOYSA-N 1 0 397.313 2.915 20 0 GFADRO O=C(Nc1cccc(-c2nnsc2Cl)c1)C1C[NH+](C2CCOCC2)C1 ZINC000912487045 664290015 /nfs/dbraw/zinc/29/00/15/664290015.db2.gz ZAYPMVMGAGTETJ-UHFFFAOYSA-N 1 0 378.885 2.908 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+](C2CCCCC2)C1)c1cc2ncc(Br)cn2n1 ZINC000912504783 664291231 /nfs/dbraw/zinc/29/12/31/664291231.db2.gz UJEQMEVBSVQQMN-CYBMUJFWSA-N 1 0 392.301 2.629 20 0 GFADRO CC(C)C[NH2+]C1(CO)CCN(C(=O)[C@H](O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000912586076 664293889 /nfs/dbraw/zinc/29/38/89/664293889.db2.gz KVXFALGJIGTSJB-MRXNPFEDSA-N 1 0 389.323 2.626 20 0 GFADRO Cc1cccc(C(=O)N2CCC(CO)([NH2+]CC(C)C)CC2)c1Br ZINC000912589828 664294174 /nfs/dbraw/zinc/29/41/74/664294174.db2.gz HZOUFVNMMHKEKQ-UHFFFAOYSA-N 1 0 383.330 2.970 20 0 GFADRO CC(C)C[NH2+]C1(CO)CCN(C(=O)c2cc(F)cc(Br)c2)CC1 ZINC000912592358 664294372 /nfs/dbraw/zinc/29/43/72/664294372.db2.gz PLFUYORCSJEFPN-UHFFFAOYSA-N 1 0 387.293 2.801 20 0 GFADRO COc1cc(NC(=O)C[C@@]2(O)CCC[N@H+](C)C2)c(Cl)cc1Br ZINC000912698671 664298527 /nfs/dbraw/zinc/29/85/27/664298527.db2.gz QRDZCSFPBJBJIJ-HNNXBMFYSA-N 1 0 391.693 2.896 20 0 GFADRO O=C(c1ccc(F)c(I)c1)N1CCC([NH+]2CCC2)CC1 ZINC000912876530 664307045 /nfs/dbraw/zinc/30/70/45/664307045.db2.gz JCZBXMFZHIUCBZ-UHFFFAOYSA-N 1 0 388.224 2.741 20 0 GFADRO O=C(NCCC[NH+]1CCCCC1)c1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000912994336 664315826 /nfs/dbraw/zinc/31/58/26/664315826.db2.gz KHFIXHQTYVBECX-UHFFFAOYSA-N 1 0 378.416 2.586 20 0 GFADRO C[N@@H+]1C[C@@]2(C)CN(C(=O)c3cccn4ncc(Br)c34)C[C@@]2(C)C1 ZINC000913275066 664330662 /nfs/dbraw/zinc/33/06/62/664330662.db2.gz RZQJITHWRIJVFH-CALCHBBNSA-N 1 0 377.286 2.511 20 0 GFADRO C[NH+](C)C1(C)CCN(C(=O)c2c(F)cccc2I)CC1 ZINC000913394576 664334702 /nfs/dbraw/zinc/33/47/02/664334702.db2.gz ITGYNVPQAKWNEM-UHFFFAOYSA-N 1 0 390.240 2.987 20 0 GFADRO O=C(NC12CC[NH+](CC1)C2)[C@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1 ZINC000913627397 664346857 /nfs/dbraw/zinc/34/68/57/664346857.db2.gz IQFCWJQVZYJCIZ-OAHLLOKOSA-N 1 0 382.291 2.562 20 0 GFADRO Cc1ccc(CCC(=O)N2CCC(O)(C[NH+](C)C)CC2)c(Br)c1 ZINC000913678576 664349350 /nfs/dbraw/zinc/34/93/50/664349350.db2.gz OFEUURLXYRHZPC-UHFFFAOYSA-N 1 0 383.330 2.605 20 0 GFADRO C[NH+](C)CC1(O)CCN(C(=O)CCCOc2cccc(Br)c2)CC1 ZINC000913682323 664349502 /nfs/dbraw/zinc/34/95/02/664349502.db2.gz AFWNWEHWYXFXEY-UHFFFAOYSA-N 1 0 399.329 2.523 20 0 GFADRO C/C(=C\c1ccc(Br)o1)C(=O)N1CC[NH+](CCCCCO)CC1 ZINC000913688054 664349841 /nfs/dbraw/zinc/34/98/41/664349841.db2.gz IZUTWZFAHBMDRC-BUHFOSPRSA-N 1 0 385.302 2.752 20 0 GFADRO C[N@@H+]1CCC[C@](O)(CC(=O)NCC(=O)c2sc3ccccc3c2Cl)C1 ZINC000913790091 664358183 /nfs/dbraw/zinc/35/81/83/664358183.db2.gz IVLCAZWOJPWWEZ-SFHVURJKSA-N 1 0 380.897 2.700 20 0 GFADRO CC[NH+]1CCC(NC(=O)N2CCC[C@@H]2c2ncc(Br)cn2)CC1 ZINC000913894371 664364499 /nfs/dbraw/zinc/36/44/99/664364499.db2.gz QGUSWLDKKUXFFX-CQSZACIVSA-N 1 0 382.306 2.570 20 0 GFADRO O=S(=O)(Cc1cccc(F)c1Br)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000913934829 664366974 /nfs/dbraw/zinc/36/69/74/664366974.db2.gz TUPHLTWUIUPZCZ-STQMWFEESA-N 1 0 391.306 2.634 20 0 GFADRO C[C@H](CNC(=O)N(C)Cc1ncc(Br)cn1)[N@@H+]1CCCC[C@@H]1C ZINC000914072878 664374309 /nfs/dbraw/zinc/37/43/09/664374309.db2.gz ZWTKNHFDGIUPKO-QWHCGFSZSA-N 1 0 384.322 2.643 20 0 GFADRO C[C@@H]1CCC[N@H+](CCCCNC(=O)N(C)Cc2ncc(Br)cn2)C1 ZINC000914100252 664376521 /nfs/dbraw/zinc/37/65/21/664376521.db2.gz WJZPAUFWNLWCRK-CQSZACIVSA-N 1 0 398.349 2.893 20 0 GFADRO CC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)Cc2cccc(F)c2Br)C1 ZINC000914205393 664385347 /nfs/dbraw/zinc/38/53/47/664385347.db2.gz PPHGWZUGHIJRSP-LBPRGKRZSA-N 1 0 393.322 2.692 20 0 GFADRO CC[NH+](CC)C[C@@H](C)NC(=O)NC1(c2ncc(Br)cn2)CCC1 ZINC000914412486 664407964 /nfs/dbraw/zinc/40/79/64/664407964.db2.gz ZRGYRIYPLDAPCH-GFCCVEGCSA-N 1 0 384.322 2.648 20 0 GFADRO COc1ccc([C@H](O)C[NH2+]C[C@@H](O)COc2cccc(Br)c2)cc1 ZINC000915227370 664424528 /nfs/dbraw/zinc/42/45/28/664424528.db2.gz SXGJBMKVDQZPTH-CRAIPNDOSA-N 1 0 396.281 2.521 20 0 GFADRO COc1cc(CNC(=S)NCCC[NH+](C)C)ccc1OCC(F)(F)F ZINC000916023156 664447559 /nfs/dbraw/zinc/44/75/59/664447559.db2.gz SHWHEWBVLRPOGE-UHFFFAOYSA-N 1 0 379.448 2.552 20 0 GFADRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)N(C)Cc2ncc(Br)cn2)C1 ZINC000916874572 664473713 /nfs/dbraw/zinc/47/37/13/664473713.db2.gz YKCMYRDHWNSKCR-CYBMUJFWSA-N 1 0 384.322 2.501 20 0 GFADRO CO[C@H]1CC[N@@H+]([C@@H]2CCC[C@@H]2NS(=O)(=O)c2cscc2C(F)F)C1 ZINC000918242759 664497341 /nfs/dbraw/zinc/49/73/41/664497341.db2.gz DSBMUCARFKFIKV-WCFLWFBJSA-N 1 0 380.482 2.606 20 0 GFADRO C[N@@H+]1CCC[C@@](O)(CC(=O)NCc2cc3cc(Br)ccc3o2)C1 ZINC000918448990 664499209 /nfs/dbraw/zinc/49/92/09/664499209.db2.gz QRMLTFQMRSTRJL-QGZVFWFLSA-N 1 0 381.270 2.658 20 0 GFADRO Cc1ccc(NC(=O)C(=O)NC[C@H](C)[NH+]2CCCCC2)cc1Br ZINC000918465772 664499486 /nfs/dbraw/zinc/49/94/86/664499486.db2.gz SFJJEFLYTMFBKE-ZDUSSCGKSA-N 1 0 382.302 2.687 20 0 GFADRO COc1ccc(S(=O)(=O)N2CCc3[nH+]ccc(N)c3C2)c(Cl)c1Cl ZINC000918899448 664506254 /nfs/dbraw/zinc/50/62/54/664506254.db2.gz GCGRIYKILRMHGL-UHFFFAOYSA-N 1 0 388.276 2.726 20 0 GFADRO COC(=O)N1CCC([NH2+]C[C@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000920093589 664522123 /nfs/dbraw/zinc/52/21/23/664522123.db2.gz ZKSIEHAETNDTGL-ZDUSSCGKSA-N 1 0 377.268 2.554 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)N2CCCC[C@H]2c2ncc(Br)cn2)CC[N@@H+]1C ZINC000920404462 664525937 /nfs/dbraw/zinc/52/59/37/664525937.db2.gz OQINEWUWAKEMPI-SNPRPXQTSA-N 1 0 396.333 2.958 20 0 GFADRO O=S(=O)(Cc1ccccc1)NCC[NH2+]Cc1ccc(Br)s1 ZINC000921198556 664539005 /nfs/dbraw/zinc/53/90/05/664539005.db2.gz UBOZBNNCQDPRNL-UHFFFAOYSA-N 1 0 389.340 2.720 20 0 GFADRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N1CCC[C@H]1c1ncc(Br)cn1 ZINC000921434406 664548436 /nfs/dbraw/zinc/54/84/36/664548436.db2.gz IGMSHIIZNRVSJG-DFBGVHRSSA-N 1 0 394.317 2.568 20 0 GFADRO C[NH+](C)CC[C@H](NS(=O)(=O)CCc1cccc(Cl)c1)c1cccnc1 ZINC000921479067 664550001 /nfs/dbraw/zinc/55/00/01/664550001.db2.gz ANPZHNZFDHSDIT-SFHVURJKSA-N 1 0 381.929 2.890 20 0 GFADRO C[NH+](C)Cc1ccc(S(=O)(=O)NCC[C@@H]2CC[C@@H](C(F)(F)F)O2)cc1 ZINC000921574890 664554313 /nfs/dbraw/zinc/55/43/13/664554313.db2.gz ONDZWSSJFRRCLT-ZFWWWQNUSA-N 1 0 380.432 2.527 20 0 GFADRO C[C@@H]1CN([C@H](C[NH2+]Cc2nc(Br)c[nH]2)c2cccs2)CCO1 ZINC000921702344 664562188 /nfs/dbraw/zinc/56/21/88/664562188.db2.gz LNXLBKXIZXLCJU-VXGBXAGGSA-N 1 0 385.331 2.785 20 0 GFADRO CCn1c(C[NH2+]C[C@@H]2CCC[C@@H]2O)nc(Br)c1Br ZINC000921791323 664568761 /nfs/dbraw/zinc/56/87/61/664568761.db2.gz BNXLKOJCZBPGHP-IUCAKERBSA-N 1 0 381.112 2.679 20 0 GFADRO Cc1cccc(C[NH2+]C[C@H]2CCC[C@@]23NC(=O)N(C)C3=O)c1Br ZINC000921815360 664570190 /nfs/dbraw/zinc/57/01/90/664570190.db2.gz ZJZAISJDPQSKMV-CXAGYDPISA-N 1 0 380.286 2.568 20 0 GFADRO COC(=O)CS(=O)(=O)Cc1ccc(C[NH2+][C@@H]2CCC[C@@H](SC)C2)cc1 ZINC000921839572 664571669 /nfs/dbraw/zinc/57/16/69/664571669.db2.gz LLCDVUHGJLXDHH-IAGOWNOFSA-N 1 0 385.551 2.538 20 0 GFADRO C[C@@H](NC(=O)NCc1cnc(Br)cn1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000921877048 664574542 /nfs/dbraw/zinc/57/45/42/664574542.db2.gz BLQGDPLPHOXXRF-CHWSQXEVSA-N 1 0 396.333 2.691 20 0 GFADRO C[C@H](CCNC(=O)N(C)Cc1ncc(Br)cn1)[NH+]1CCCCC1 ZINC000921933632 664577215 /nfs/dbraw/zinc/57/72/15/664577215.db2.gz NMQNTVHLGQOVNG-CYBMUJFWSA-N 1 0 384.322 2.645 20 0 GFADRO CC(C)(O)C[N@@H+]1CCc2c(cccc2NCc2nc(Br)c[nH]2)C1 ZINC000921988326 664580594 /nfs/dbraw/zinc/58/05/94/664580594.db2.gz CDTJLQORRKYBAU-UHFFFAOYSA-N 1 0 379.302 2.913 20 0 GFADRO COC(=O)COc1ccccc1C[NH2+]C[C@H](O)c1cccc(Br)c1 ZINC000922105620 664585801 /nfs/dbraw/zinc/58/58/01/664585801.db2.gz IUGLHZVAFBOMJG-INIZCTEOSA-N 1 0 394.265 2.824 20 0 GFADRO Cc1nc(C[NH2+]C[C@H]2CCC3(CCOCC3)[C@@H]2O)sc1Br ZINC000922111439 664586484 /nfs/dbraw/zinc/58/64/84/664586484.db2.gz YDXAOHXAMCRLIE-DGCLKSJQSA-N 1 0 375.332 2.871 20 0 GFADRO CCn1c(C[NH2+]C[C@@H](CO)C(C)C)nc(Br)c1Br ZINC000922130362 664587082 /nfs/dbraw/zinc/58/70/82/664587082.db2.gz YNMPWUBBRDOCLG-VIFPVBQESA-N 1 0 383.128 2.782 20 0 GFADRO Cc1cc(C[NH2+]CCS(=O)(=O)C2CC2)c(C)cc1I ZINC000922186283 664589386 /nfs/dbraw/zinc/58/93/86/664589386.db2.gz UGEBIVSMZFCCSS-UHFFFAOYSA-N 1 0 393.290 2.575 20 0 GFADRO CC[N@H+](CCNC(=O)NC[C@H]1CC[C@@H](C(F)(F)F)O1)CCC(F)(F)F ZINC000922188246 664589665 /nfs/dbraw/zinc/58/96/65/664589665.db2.gz TXUJZKBLOZGAAD-MNOVXSKESA-N 1 0 379.345 2.670 20 0 GFADRO Cc1cc(C[NH2+][C@H](CO)[C@H]2CCCOC2)c(C)cc1I ZINC000922187147 664589704 /nfs/dbraw/zinc/58/97/04/664589704.db2.gz ZLDRURCXMGIUNY-XJKSGUPXSA-N 1 0 389.277 2.785 20 0 GFADRO CCn1c(C[NH2+]C2CC(COC)C2)nc(Br)c1Br ZINC000922318150 664594445 /nfs/dbraw/zinc/59/44/45/664594445.db2.gz MUGJDWHAVDPGCV-UHFFFAOYSA-N 1 0 381.112 2.943 20 0 GFADRO Cc1nnc([C@@H]2OCC[C@@H]2C[NH2+]Cc2ccccc2I)[nH]1 ZINC000922408940 664600284 /nfs/dbraw/zinc/60/02/84/664600284.db2.gz GECCXIOAASPGRN-TZMCWYRMSA-N 1 0 398.248 2.585 20 0 GFADRO COc1ncc(Br)cc1C[NH2+]CC1CCC(S(C)(=O)=O)CC1 ZINC000922417906 664600729 /nfs/dbraw/zinc/60/07/29/664600729.db2.gz KXRISXMMLMLOCJ-UHFFFAOYSA-N 1 0 391.331 2.546 20 0 GFADRO Cc1nn(-c2ccccc2Br)cc1C[NH2+]CC[C@H]1CC(=O)N(C)C1 ZINC000922484009 664603486 /nfs/dbraw/zinc/60/34/86/664603486.db2.gz DQXZLMFZHZYZNV-AWEZNQCLSA-N 1 0 391.313 2.901 20 0 GFADRO Cc1cc(C[NH2+]CC[C@H]2CC(=O)N(C)C2)c(C)cc1I ZINC000922484092 664603503 /nfs/dbraw/zinc/60/35/03/664603503.db2.gz HBVDGMWTUBDATP-ZDUSSCGKSA-N 1 0 386.277 2.866 20 0 GFADRO CCOCCOc1ccc(Br)cc1C[NH2+]CC[C@H]1CC(=O)N(C)C1 ZINC000922488914 664603707 /nfs/dbraw/zinc/60/37/07/664603707.db2.gz MLYRNBAPHZVKAY-AWEZNQCLSA-N 1 0 399.329 2.822 20 0 GFADRO COc1cc(C[NH2+]C2CC(CC(N)=O)C2)cc(Br)c1OC(F)F ZINC000922512196 664605158 /nfs/dbraw/zinc/60/51/58/664605158.db2.gz OEJGFBBXMKZYAT-UHFFFAOYSA-N 1 0 393.228 2.803 20 0 GFADRO Brc1ccn2cc(C[NH2+][C@H]3CCCN4CCSC[C@@H]34)nc2c1 ZINC000922522221 664605528 /nfs/dbraw/zinc/60/55/28/664605528.db2.gz AVOHBTZLOSPVQL-GJZGRUSLSA-N 1 0 381.343 2.766 20 0 GFADRO CC(C)(C)OC(=O)N[C@H](C[NH2+][C@H]1CCCN2CCSC[C@H]12)CC(F)F ZINC000922527521 664605788 /nfs/dbraw/zinc/60/57/88/664605788.db2.gz WRTBTIPOWFICCT-MELADBBJSA-N 1 0 379.517 2.704 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+][C@H](c2ccccn2)C2CC2)cc1Br ZINC000922580302 664607322 /nfs/dbraw/zinc/60/73/22/664607322.db2.gz BKPLKOPBOYAWHO-INIZCTEOSA-N 1 0 396.310 2.732 20 0 GFADRO CO[C@]1(C[NH2+]C/C(C)=C/c2cccc(C(F)(F)F)c2)CCS(=O)(=O)C1 ZINC000922617614 664608493 /nfs/dbraw/zinc/60/84/93/664608493.db2.gz RNBOLCCOIKWLPS-OIQJVACTSA-N 1 0 377.428 2.902 20 0 GFADRO Cc1nn(C)c(OCC(F)(F)F)c1C[NH2+]CC[C@@H](N(C)C)C(F)(F)F ZINC000922752526 664613433 /nfs/dbraw/zinc/61/34/33/664613433.db2.gz RRKJJLDEZDRCNA-LLVKDONJSA-N 1 0 376.345 2.642 20 0 GFADRO COc1cc(C[NH2+]CC[C@@H]2CNC(=O)C2)cc(Br)c1OC(F)F ZINC000922782619 664614362 /nfs/dbraw/zinc/61/43/62/664614362.db2.gz RQCQHMPMBVJQQD-VIFPVBQESA-N 1 0 393.228 2.675 20 0 GFADRO Fc1ccc(I)c(F)c1C[NH2+]CC1CC2(C1)OCCO2 ZINC000922799434 664614741 /nfs/dbraw/zinc/61/47/41/664614741.db2.gz WAUZZRVYUYIRHV-UHFFFAOYSA-N 1 0 395.187 2.812 20 0 GFADRO FC(F)(F)CN1CCC([NH2+]CC2(n3cc(Br)cn3)CC2)CC1 ZINC000922801650 664614909 /nfs/dbraw/zinc/61/49/09/664614909.db2.gz CZMCWSUUAAJNIY-UHFFFAOYSA-N 1 0 381.240 2.751 20 0 GFADRO COCOc1ccc(OC)cc1C[NH2+]CC1(n2cc(Br)cn2)CC1 ZINC000922802686 664614940 /nfs/dbraw/zinc/61/49/40/664614940.db2.gz OCQNXTVZDZULQN-UHFFFAOYSA-N 1 0 396.285 2.916 20 0 GFADRO CCC[C@H](O)CC[NH2+]Cc1cc(Br)ccc1O[C@H](C)C(=O)NC ZINC000922820289 664615442 /nfs/dbraw/zinc/61/54/42/664615442.db2.gz HLRKWPJEYKHFPQ-DOMZBBRYSA-N 1 0 387.318 2.603 20 0 GFADRO Cn1cc(C[NH2+]C[C@@H]2CCCC3(CCC3)O2)c(I)n1 ZINC000922814480 664615485 /nfs/dbraw/zinc/61/54/85/664615485.db2.gz ZPLMZPRYTPJBOK-LBPRGKRZSA-N 1 0 375.254 2.606 20 0 GFADRO COC(=O)c1cnc(CC[NH2+]Cc2nc(C)c(Br)s2)s1 ZINC000922832646 664616135 /nfs/dbraw/zinc/61/61/35/664616135.db2.gz YBDDXKFXGURWGI-UHFFFAOYSA-N 1 0 376.301 2.789 20 0 GFADRO COC(=O)c1cnc(CC[NH2+]Cc2cc3c(cc2Br)OCO3)s1 ZINC000922839731 664616162 /nfs/dbraw/zinc/61/61/62/664616162.db2.gz QJZBQUWGAKYUON-UHFFFAOYSA-N 1 0 399.266 2.753 20 0 GFADRO Cn1ncc(I)c1C[NH2+]C[C@@]1(c2ccccc2)CCCO1 ZINC000922964266 664620054 /nfs/dbraw/zinc/62/00/54/664620054.db2.gz QXZRTALGDYQOCA-MRXNPFEDSA-N 1 0 397.260 2.820 20 0 GFADRO Cn1nccc1[C@H](O)C[NH2+]Cc1cc(OC(F)F)ccc1Br ZINC000922969887 664620294 /nfs/dbraw/zinc/62/02/94/664620294.db2.gz HTLXTQCUCCOFML-CYBMUJFWSA-N 1 0 376.201 2.607 20 0 GFADRO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)[C@@]1(C)CC1(Br)Br ZINC000923260069 664626813 /nfs/dbraw/zinc/62/68/13/664626813.db2.gz OYNLLVRAVDUXIV-HOSYDEDBSA-N 1 0 380.124 2.578 20 0 GFADRO C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N1[C@@H]2CC[C@H]1C[N@H+](C)CC2 ZINC000923300890 664627848 /nfs/dbraw/zinc/62/78/48/664627848.db2.gz BUPIVYNBEHMSDJ-XQQFMLRXSA-N 1 0 384.307 2.807 20 0 GFADRO O[C@H](COc1ccc(Cl)cc1Br)CN1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000923358613 664628876 /nfs/dbraw/zinc/62/88/76/664628876.db2.gz IVYNGEDLOKTYNW-WHOFXGATSA-N 1 0 389.721 2.526 20 0 GFADRO COC(=O)c1cc(Br)c(CN2CCC3(CC[NH2+]3)CC2)cc1OC ZINC000923382754 664629319 /nfs/dbraw/zinc/62/93/19/664629319.db2.gz UEIUQGWNZNNXBL-UHFFFAOYSA-N 1 0 383.286 2.572 20 0 GFADRO C[C@H](NC(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1)c1cn(C)nn1 ZINC000923448980 664630661 /nfs/dbraw/zinc/63/06/61/664630661.db2.gz JEBNGNGRJBTVQC-BONVTDFDSA-N 1 0 385.299 2.785 20 0 GFADRO CCCC[N@H+](C)CC1CCN(C(=O)NCc2cnc(Br)cn2)CC1 ZINC000923532020 664632898 /nfs/dbraw/zinc/63/28/98/664632898.db2.gz XKLANUWOZCJLMV-UHFFFAOYSA-N 1 0 398.349 2.893 20 0 GFADRO O=S(=O)(c1cnc(-c2ccccc2)s1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000923641411 664634905 /nfs/dbraw/zinc/63/49/05/664634905.db2.gz TXXUBLWFZGLGAN-MRXNPFEDSA-N 1 0 377.535 2.820 20 0 GFADRO Cc1cccc2cc(S(=O)(=O)N3CCC4(CO[C@H](C[NH3+])C4)CC3)sc21 ZINC000923686998 664635735 /nfs/dbraw/zinc/63/57/35/664635735.db2.gz BRPJNKQFJXGEKL-HNNXBMFYSA-N 1 0 380.535 2.728 20 0 GFADRO COc1ccc2nc(Cl)ccc2c1S(=O)(=O)N1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923701589 664636446 /nfs/dbraw/zinc/63/64/46/664636446.db2.gz VTMIVDGSGOOXDM-RYUDHWBXSA-N 1 0 383.901 2.502 20 0 GFADRO [NH3+]CC[C@H]1Cc2ccccc2N(S(=O)(=O)c2occc2Br)C1 ZINC000923751438 664637717 /nfs/dbraw/zinc/63/77/17/664637717.db2.gz XDPPMBMBHRRWJN-NSHDSACASA-N 1 0 385.283 2.759 20 0 GFADRO COc1cc(-c2noc([C@@H]3C[N@@H+]4CCC[C@@H]4CO3)n2)cc(Br)c1O ZINC000924009428 664644326 /nfs/dbraw/zinc/64/43/26/664644326.db2.gz XICMTLRPVWBOFB-MFKMUULPSA-N 1 0 396.241 2.749 20 0 GFADRO Brc1ccn2cc(-c3noc([C@@H]4C[N@@H+]5CCC[C@H]5CO4)n3)nc2c1 ZINC000924073516 664646085 /nfs/dbraw/zinc/64/60/85/664646085.db2.gz GMMQMTIWZXJMOR-AAEUAGOBSA-N 1 0 390.241 2.683 20 0 GFADRO C[C@H]([NH2+]C[C@@H](c1ccccc1Cl)N(C)C)C1CCN(S(C)(=O)=O)CC1 ZINC000924551426 664657216 /nfs/dbraw/zinc/65/72/16/664657216.db2.gz LGEUTVUBRVVXQH-KSSFIOAISA-N 1 0 387.977 2.592 20 0 GFADRO O=C1NCC2(CCOCC2)[C@H]1[NH2+]CC1(c2cccc(Br)c2)CCC1 ZINC000924740706 664660668 /nfs/dbraw/zinc/66/06/68/664660668.db2.gz UJOGUOZJIDEBBQ-INIZCTEOSA-N 1 0 393.325 2.756 20 0 GFADRO C[C@@H]([NH2+]CCc1ccc(Br)s1)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000924783616 664661774 /nfs/dbraw/zinc/66/17/74/664661774.db2.gz IOLRNIPLEJWIHP-SECBINFHSA-N 1 0 394.294 2.934 20 0 GFADRO C[C@@H]([NH2+][C@@H](c1nccs1)c1ccccc1)C1CCN(S(C)(=O)=O)CC1 ZINC000924864394 664663004 /nfs/dbraw/zinc/66/30/04/664663004.db2.gz LLVNBIRRKUYRON-RHSMWYFYSA-N 1 0 379.551 2.882 20 0 GFADRO Cc1nc(CSc2ccccc2C(=O)NC[C@H]2C[C@@H](O)C[N@H+]2C)cs1 ZINC000924986329 664664754 /nfs/dbraw/zinc/66/47/54/664664754.db2.gz JFEUJACORQXZEA-HUUCEWRRSA-N 1 0 377.535 2.539 20 0 GFADRO CSC[C@H]1NC(=O)N([C@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)C1=O ZINC000925022264 664665339 /nfs/dbraw/zinc/66/53/39/664665339.db2.gz FJVHGVIGNQQCEY-CHWSQXEVSA-N 1 0 376.309 2.880 20 0 GFADRO C[C@@H](NCC1(O)CC[NH+](C)CC1)C(F)(F)c1ccc(Br)cc1 ZINC000925111308 664666962 /nfs/dbraw/zinc/66/69/62/664666962.db2.gz BQXFBSJUTXJISW-GFCCVEGCSA-N 1 0 377.273 2.976 20 0 GFADRO O=S1(=O)CCC(O)(C[NH2+][C@@H](Cc2ccccc2Cl)c2ccoc2)CC1 ZINC000925126751 664667076 /nfs/dbraw/zinc/66/70/76/664667076.db2.gz PTUJPTXVRGMDNA-KRWDZBQOSA-N 1 0 383.897 2.746 20 0 GFADRO CCS[C@@H]1CCC[C@@H]([NH2+][C@H](C)c2ccc(S(=O)(=O)CC(N)=O)cc2)C1 ZINC000925219153 664668912 /nfs/dbraw/zinc/66/89/12/664668912.db2.gz SKALAZFAHWUUDA-FVQBIDKESA-N 1 0 384.567 2.661 20 0 GFADRO C[C@@H]([NH2+][C@H]1CCN(c2cccc(Cl)c2)C1)C1CCN(S(C)(=O)=O)CC1 ZINC000925228020 664669027 /nfs/dbraw/zinc/66/90/27/664669027.db2.gz FPYLTYSYEWUTQF-PBHICJAKSA-N 1 0 385.961 2.568 20 0 GFADRO CCS[C@@H]1CCCC[C@H]1[NH2+][C@H](C)c1ccc(S(=O)(=O)CC(N)=O)cc1 ZINC000925228218 664669081 /nfs/dbraw/zinc/66/90/81/664669081.db2.gz XLTQEHBTJIRGTJ-KBRIMQKVSA-N 1 0 384.567 2.661 20 0 GFADRO CC[N@@H+]1CC[C@H](N2C(=O)N[C@H](c3ccc(Br)c(Cl)c3)C2=O)C1 ZINC000925319934 664670569 /nfs/dbraw/zinc/67/05/69/664670569.db2.gz DGUYZCUMLJVCBA-GXFFZTMASA-N 1 0 386.677 2.790 20 0 GFADRO CCC[N@@H+]1CC[C@H](N2C(=O)N[C@@H](c3ccc(OC)c(Br)c3)C2=O)C1 ZINC000925359271 664670990 /nfs/dbraw/zinc/67/09/90/664670990.db2.gz OAVVBGZJUBWCHH-WFASDCNBSA-N 1 0 396.285 2.535 20 0 GFADRO CCC[N@@H+]1CC[C@H](N2C(=O)N[C@H](c3ccc(OC)c(Br)c3)C2=O)C1 ZINC000925359270 664671079 /nfs/dbraw/zinc/67/10/79/664671079.db2.gz OAVVBGZJUBWCHH-SWLSCSKDSA-N 1 0 396.285 2.535 20 0 GFADRO O=S(=O)(C(F)F)N1CCC(C[NH2+][C@@H]2CCCc3c(Cl)ccnc32)CC1 ZINC000925395531 664671977 /nfs/dbraw/zinc/67/19/77/664671977.db2.gz GRWXTLKKLMAKMM-CQSZACIVSA-N 1 0 393.887 2.966 20 0 GFADRO C[N@@H+]1CC[C@H]1CNC(=O)N1CC2(CCOCC2)c2ccc(Br)cc21 ZINC000925432819 664672085 /nfs/dbraw/zinc/67/20/85/664672085.db2.gz YZFSBKCMAGCTMT-AWEZNQCLSA-N 1 0 394.313 2.731 20 0 GFADRO O[C@H](C[NH2+][C@@H](C1CCC1)[C@@H]1CCOC1)COc1ccccc1Br ZINC000925543942 664672974 /nfs/dbraw/zinc/67/29/74/664672974.db2.gz OQCDIKQYRQLRNU-RKVPGOIHSA-N 1 0 384.314 2.984 20 0 GFADRO CC(C)[C@H]([NH2+]CC[C@@H]1CNCCS1(=O)=O)c1cccc(C(F)(F)F)c1 ZINC000925801407 664675072 /nfs/dbraw/zinc/67/50/72/664675072.db2.gz WUFBODXXQZOWCT-CVEARBPZSA-N 1 0 378.460 2.769 20 0 GFADRO CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]C[C@@]2(C(F)(F)F)CCCN2)cc1 ZINC000925856044 664676181 /nfs/dbraw/zinc/67/61/81/664676181.db2.gz JCVLMHQXIZWORV-IUODEOHRSA-N 1 0 379.448 2.783 20 0 GFADRO [NH3+][C@@]1(CO)CCCN(C(=O)Nc2ncc(Cc3cccc(Cl)c3)s2)C1 ZINC000925916324 664677488 /nfs/dbraw/zinc/67/74/88/664677488.db2.gz VVCDJNVXYYTYOG-KRWDZBQOSA-N 1 0 380.901 2.705 20 0 GFADRO COC(=O)c1cc(NC(=O)N2CC[C@H](C(F)(F)F)[C@@H]([NH3+])C2)ccc1Cl ZINC000925945560 664677990 /nfs/dbraw/zinc/67/79/90/664677990.db2.gz XDWKWDRQHZJIHK-JQWIXIFHSA-N 1 0 379.766 2.870 20 0 GFADRO CC1(C)CN(C(=O)Nc2cc(F)c(F)cc2I)C[C@@H]1[NH3+] ZINC000926046962 664679935 /nfs/dbraw/zinc/67/99/35/664679935.db2.gz QZYMXUDDCUYYTD-NSHDSACASA-N 1 0 395.191 2.770 20 0 GFADRO Cc1ccc(NC(=O)N2CC[C@@H](C(F)(F)F)[C@H]([NH3+])C2)c(Br)n1 ZINC000926078097 664680954 /nfs/dbraw/zinc/68/09/54/664680954.db2.gz NZVWGRZRFJPPDT-RKDXNWHRSA-N 1 0 381.196 2.896 20 0 GFADRO CC1(C)CN(C(=O)Nc2cnn(-c3ccccc3Br)c2)C[C@H]1[NH3+] ZINC000926077182 664680959 /nfs/dbraw/zinc/68/09/59/664680959.db2.gz PVRQARSXYPMWSQ-CQSZACIVSA-N 1 0 378.274 2.836 20 0 GFADRO Cc1cc(NC(=O)N2CC[C@H](C(F)(F)F)[C@H]([NH3+])C2)cnc1Br ZINC000926088933 664681402 /nfs/dbraw/zinc/68/14/02/664681402.db2.gz CDOZJYGAGSPJJW-VHSXEESVSA-N 1 0 381.196 2.896 20 0 GFADRO Cc1cc(NC(=O)N2CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C2)cnc1Br ZINC000926088934 664681406 /nfs/dbraw/zinc/68/14/06/664681406.db2.gz CDOZJYGAGSPJJW-ZJUUUORDSA-N 1 0 381.196 2.896 20 0 GFADRO COc1cc(Br)cc(NC(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)c1 ZINC000926086371 664681419 /nfs/dbraw/zinc/68/14/19/664681419.db2.gz YCNJZQCBTMGWLK-GHMZBOCLSA-N 1 0 382.180 2.811 20 0 GFADRO COCCOc1ccc(Br)cc1NC(=O)NC[C@@H]1CC[C@H]([NH3+])C1 ZINC000926086105 664681425 /nfs/dbraw/zinc/68/14/25/664681425.db2.gz ICSMJADMRZBARL-YPMHNXCESA-N 1 0 386.290 2.723 20 0 GFADRO [NH3+][C@@H]1CN(C(=O)Nc2cnc(Cl)c(Br)c2)C[C@H]1C(F)(F)F ZINC000926094140 664681575 /nfs/dbraw/zinc/68/15/75/664681575.db2.gz YFDCKPQDGJWRQD-HTRCEHHLSA-N 1 0 387.587 2.851 20 0 GFADRO COc1cc(OC)c(NC(=O)N2CC[C@H](C[NH3+])[C@@H](C)C2)cc1Br ZINC000926100815 664681732 /nfs/dbraw/zinc/68/17/32/664681732.db2.gz MUQDHSWTXFXIOC-WDEREUQCSA-N 1 0 386.290 2.915 20 0 GFADRO COC(=O)c1c(C)c(NC(=O)N2C[C@H]([NH3+])C(C)(C)C2)ccc1Br ZINC000926104434 664681830 /nfs/dbraw/zinc/68/18/30/664681830.db2.gz KIHJKVSZPVHUQJ-LBPRGKRZSA-N 1 0 384.274 2.745 20 0 GFADRO Cc1cc(Br)nc(NC(=O)N2CC[C@@H](C(F)(F)F)[C@H]([NH3+])C2)c1 ZINC000926137267 664682605 /nfs/dbraw/zinc/68/26/05/664682605.db2.gz SAMMIMLASISQEN-RKDXNWHRSA-N 1 0 381.196 2.896 20 0 GFADRO CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NC(=O)c1cscc1C(F)(F)F)C2 ZINC000926138763 664682822 /nfs/dbraw/zinc/68/28/22/664682822.db2.gz UZZQJEWIOXGJTQ-IXYNUQLISA-N 1 0 376.444 2.976 20 0 GFADRO Cc1c(Br)cccc1C(=O)N[C@@H]1C[C@@]2(C[N@@H+](C)[C@@H]2C(C)C)C[C@H]1O ZINC000926169354 664683594 /nfs/dbraw/zinc/68/35/94/664683594.db2.gz DAVSMQYBQLHANF-MTNOOBJLSA-N 1 0 395.341 2.967 20 0 GFADRO [NH3+]CC[C@H](NC(=O)N1CCc2ccc(Br)c(F)c2C1)C(F)(F)F ZINC000926171723 664683813 /nfs/dbraw/zinc/68/38/13/664683813.db2.gz WTDROFFFTUCWDX-NSHDSACASA-N 1 0 398.198 2.936 20 0 GFADRO CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)c1sccc1Br)C2 ZINC000926182938 664684261 /nfs/dbraw/zinc/68/42/61/664684261.db2.gz LDOMXFOABJNAFJ-NCZKRNLISA-N 1 0 387.343 2.720 20 0 GFADRO CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NC(=O)c1cccc(Br)c1)C2 ZINC000926191713 664684608 /nfs/dbraw/zinc/68/46/08/664684608.db2.gz CSLVJPFPDRHBLB-YFHUEUNASA-N 1 0 381.314 2.659 20 0 GFADRO CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NC(=O)c3cc(Cl)ncc3Cl)C2)[C@@H]1C(C)C ZINC000926244258 664685118 /nfs/dbraw/zinc/68/51/18/664685118.db2.gz NOUHYIMSCKYJKN-AHEZYBDSSA-N 1 0 386.323 2.988 20 0 GFADRO COc1cc(Br)cc(CNC(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)c1 ZINC000926286289 664686455 /nfs/dbraw/zinc/68/64/55/664686455.db2.gz ZYBDKYDUUVWICD-OAHLLOKOSA-N 1 0 380.286 2.613 20 0 GFADRO C[C@@H]([NH2+]C[C@@H](N1CCOCC1)C(F)(F)F)c1cccc(Br)n1 ZINC000926419402 664689716 /nfs/dbraw/zinc/68/97/16/664689716.db2.gz UIHDKYONNIFXKM-ZYHUDNBSSA-N 1 0 382.224 2.758 20 0 GFADRO O=C1CC[C@H]([NH2+][C@@H]2CCCc3ncc(Br)cc32)[C@H]([C@@H]2CCCO2)N1 ZINC000926445536 664690043 /nfs/dbraw/zinc/69/00/43/664690043.db2.gz UHXCIWFLMBEAPR-MUQADHOPSA-N 1 0 394.313 2.637 20 0 GFADRO O=C1CC[C@H]([NH2+][C@@H]2CCCc3ncc(Br)cc32)[C@H]([C@H]2CCCO2)N1 ZINC000926445535 664690088 /nfs/dbraw/zinc/69/00/88/664690088.db2.gz UHXCIWFLMBEAPR-KYHPRHEASA-N 1 0 394.313 2.637 20 0 GFADRO C[C@@H]([NH2+]CC[C@@]1(C)CC1(Cl)Cl)c1ccc(S(=O)(=O)CC(N)=O)cc1 ZINC000926532112 664691596 /nfs/dbraw/zinc/69/15/96/664691596.db2.gz QUTNUCRXCIAANX-ABAIWWIYSA-N 1 0 393.336 2.570 20 0 GFADRO Cn1cc(I)c(C[NH2+][C@H]2CCC[C@H]2Cc2ccccn2)n1 ZINC000926539181 664691786 /nfs/dbraw/zinc/69/17/86/664691786.db2.gz FQQIPJSMXVOXJE-WFASDCNBSA-N 1 0 396.276 2.921 20 0 GFADRO Cc1c(Br)cccc1C[C@@H](CO)C[NH2+][C@@H]1CCOC12CCOCC2 ZINC000926543431 664692188 /nfs/dbraw/zinc/69/21/88/664692188.db2.gz LVNIAMMXRXOJBA-CRAIPNDOSA-N 1 0 398.341 2.836 20 0 GFADRO C[C@H]([NH2+]C[C@@H](O)c1ccc(Cl)c(Cl)c1)C1CCN(S(C)(=O)=O)CC1 ZINC000926722042 664695791 /nfs/dbraw/zinc/69/57/91/664695791.db2.gz PSRMFKICBOLEGX-MEDUHNTESA-N 1 0 395.352 2.677 20 0 GFADRO O=c1[nH]c(=O)n(C2CC2)cc1C[NH2+][C@@H]1CCCc2ncc(Br)cc21 ZINC000926851998 664697744 /nfs/dbraw/zinc/69/77/44/664697744.db2.gz WFZOTNOBVJFCHY-CQSZACIVSA-N 1 0 391.269 2.609 20 0 GFADRO CSC1(C[NH2+][C@@H](C)c2ccc(S(=O)(=O)CC(N)=O)cc2)CCCCC1 ZINC000926872232 664697993 /nfs/dbraw/zinc/69/79/93/664697993.db2.gz BTOJYWABPXQSCZ-AWEZNQCLSA-N 1 0 384.567 2.662 20 0 GFADRO COc1cc(Br)cc(C[NH2+][C@H](C)C2CCS(=O)(=O)CC2)c1 ZINC000926903259 664698898 /nfs/dbraw/zinc/69/88/98/664698898.db2.gz IHOZSFNSVHNOFW-LLVKDONJSA-N 1 0 376.316 2.761 20 0 GFADRO C[C@H]([NH2+]C[C@H]1CCCN1CC(F)(F)F)c1cccc(NS(C)(=O)=O)c1 ZINC000926927708 664699253 /nfs/dbraw/zinc/69/92/53/664699253.db2.gz WRIFCXYXPRRMJX-SWLSCSKDSA-N 1 0 379.448 2.735 20 0 GFADRO CN1CC[C@H]([NH2+]C[C@H]2C[C@@H]3COC[C@@H]3O2)C[C@@H]1c1ccc(Br)cc1 ZINC000926940880 664699402 /nfs/dbraw/zinc/69/94/02/664699402.db2.gz ASVYTAMWUUUJBC-QTUASDBPSA-N 1 0 395.341 2.978 20 0 GFADRO C[C@H]([NH2+]CC[C@@H]1CNC(=O)C1)c1ccc(F)c(I)c1 ZINC000926981649 664701115 /nfs/dbraw/zinc/70/11/15/664701115.db2.gz XFJBXISPIWQSEY-UWVGGRQHSA-N 1 0 376.213 2.607 20 0 GFADRO C[C@@H]([NH2+]C[C@@H](O)CS(C)(=O)=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000927025694 664702442 /nfs/dbraw/zinc/70/24/42/664702442.db2.gz GXFOGIRVJQKOIF-PRHODGIISA-N 1 0 393.349 2.780 20 0 GFADRO C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)S2(=O)=O)c1cc(Br)ncc1F ZINC000927039559 664702805 /nfs/dbraw/zinc/70/28/05/664702805.db2.gz OZZSTNAZIKTNPR-OFLUOSHYSA-N 1 0 377.279 2.742 20 0 GFADRO Cn1cc(CNC(=O)c2ccc(NC3=[NH+]CCC3)cc2)c(Br)n1 ZINC000927617384 664711805 /nfs/dbraw/zinc/71/18/05/664711805.db2.gz IULTWPGYBYUVAY-UHFFFAOYSA-N 1 0 376.258 2.717 20 0 GFADRO Cc1ccc(I)c(C(=O)NCc2cc(N(C)C)cc[nH+]2)c1 ZINC000927702121 664714306 /nfs/dbraw/zinc/71/43/06/664714306.db2.gz LBHCTIQWLOGBOM-UHFFFAOYSA-N 1 0 395.244 2.991 20 0 GFADRO COc1ccc(C(=O)N[C@H]2CCC[N@@H+]3CCSC[C@@H]23)c(Br)c1 ZINC000928089422 664722458 /nfs/dbraw/zinc/72/24/58/664722458.db2.gz CVZMTSOYFJMOQX-GJZGRUSLSA-N 1 0 385.327 2.767 20 0 GFADRO Cc1cc(C(=O)N[C@H]2CCC[N@@H+]3CCSC[C@@H]23)c(C)n1-c1nccs1 ZINC000928093015 664722696 /nfs/dbraw/zinc/72/26/96/664722696.db2.gz JOMLSIUNUYBARB-HOTGVXAUSA-N 1 0 376.551 2.860 20 0 GFADRO Cc1oc(-c2cccs2)nc1CC(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000928097763 664722973 /nfs/dbraw/zinc/72/29/73/664722973.db2.gz QFBRLAHVFOQOHF-UKRRQHHQSA-N 1 0 377.535 2.950 20 0 GFADRO C[NH+](C)Cc1ccc(C(=O)N2CCC[C@H]2c2ncc(Br)cn2)cn1 ZINC000928356229 664729115 /nfs/dbraw/zinc/72/91/15/664729115.db2.gz CXVWZZCPNWKXIP-HNNXBMFYSA-N 1 0 390.285 2.673 20 0 GFADRO C[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000928570823 664735426 /nfs/dbraw/zinc/73/54/26/664735426.db2.gz WNKJUSDXPQPAQL-UONOGXRCSA-N 1 0 384.307 2.666 20 0 GFADRO Cc1ccc(C(=O)N[C@H](CC[NH+](C)C)c2cccnc2)c(Br)n1 ZINC000928838431 664740656 /nfs/dbraw/zinc/74/06/56/664740656.db2.gz ZVPJERHTLZCROA-OAHLLOKOSA-N 1 0 377.286 2.970 20 0 GFADRO O=C1N[C@H](c2ccc(Cl)c(F)c2)C(=O)N1[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000929012502 664745214 /nfs/dbraw/zinc/74/52/14/664745214.db2.gz NMIKXWMSLSLQBU-SOUVJXGZSA-N 1 0 383.876 2.652 20 0 GFADRO O=C1CN(Cc2ccc(Cl)cc2)C(=O)N1[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000929012004 664745252 /nfs/dbraw/zinc/74/52/52/664745252.db2.gz KPNVCKXQUMREPM-HZPDHXFCSA-N 1 0 379.913 2.684 20 0 GFADRO CC(C)[N@@H+](Cc1cc(Br)ccc1F)CC1CN(S(C)(=O)=O)C1 ZINC000929383139 664751464 /nfs/dbraw/zinc/75/14/64/664751464.db2.gz LWTIYYMXMXFRJZ-UHFFFAOYSA-N 1 0 393.322 2.690 20 0 GFADRO CC(C)[N@@H+](Cc1cc(Br)ccc1F)C[C@H](O)C[C@@]1(O)CCOC1 ZINC000929384758 664751633 /nfs/dbraw/zinc/75/16/33/664751633.db2.gz ZSELGKAQASLGRT-WBVHZDCISA-N 1 0 390.293 2.701 20 0 GFADRO COC(=O)c1cc(Br)c(C[NH2+][C@H](C)Cn2cccn2)cc1OC ZINC000929588409 664754609 /nfs/dbraw/zinc/75/46/09/664754609.db2.gz SVNYIYXBTPUIMN-LLVKDONJSA-N 1 0 382.258 2.619 20 0 GFADRO C[NH+](C)CCOc1cccc(NC(=O)NCc2ncc(Br)cn2)c1 ZINC000929741534 664757115 /nfs/dbraw/zinc/75/71/15/664757115.db2.gz WPJGOLSWTMSRJW-UHFFFAOYSA-N 1 0 394.273 2.501 20 0 GFADRO CC(C)(C)OC(=O)NC1CC[NH+](C[C@](C)(O)C(F)(F)C(F)(F)F)CC1 ZINC000929880841 664758983 /nfs/dbraw/zinc/75/89/83/664758983.db2.gz VGLGNWIUPAXTAJ-ZDUSSCGKSA-N 1 0 376.366 2.924 20 0 GFADRO COc1ccc(NC(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)c(Br)c1 ZINC000930140779 664763257 /nfs/dbraw/zinc/76/32/57/664763257.db2.gz FXKGLPYWTSUTBZ-HZPDHXFCSA-N 1 0 398.301 2.521 20 0 GFADRO Cc1[nH]nc(Br)c1C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000930164440 664763562 /nfs/dbraw/zinc/76/35/62/664763562.db2.gz YSQFDMLPCGDVPQ-CQSZACIVSA-N 1 0 377.286 2.875 20 0 GFADRO O[C@H](C[NH2+][C@@H](c1ccc(Br)cc1)C1CCC1)C1(O)CCOCC1 ZINC000930214484 664764691 /nfs/dbraw/zinc/76/46/91/664764691.db2.gz YCMQXGDMUNJGEM-IAGOWNOFSA-N 1 0 384.314 2.782 20 0 GFADRO CC[C@H]([NH2+]C[C@H]1CCC[C@H](C(F)(F)F)O1)c1cccc(S(N)(=O)=O)c1 ZINC000930216988 664764694 /nfs/dbraw/zinc/76/46/94/664764694.db2.gz QDBUXZDUKJHVGT-VHDGCEQUSA-N 1 0 380.432 2.875 20 0 GFADRO Cn1cc(Br)cc(NC(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)c1=O ZINC000930296384 664766177 /nfs/dbraw/zinc/76/61/77/664766177.db2.gz SVUDSQXSTWKFLL-CYBMUJFWSA-N 1 0 397.317 2.676 20 0 GFADRO C[N@@H+]1C[C@H]2CCN(C(=O)Nc3nc(SCc4ccccc4)ns3)[C@H]2C1 ZINC000930400514 664769382 /nfs/dbraw/zinc/76/93/82/664769382.db2.gz DZKFDPWOZCGLJZ-KGLIPLIRSA-N 1 0 375.523 2.998 20 0 GFADRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)c2cc(=O)n(C)cc2Br)C1 ZINC000930513633 664772168 /nfs/dbraw/zinc/77/21/68/664772168.db2.gz OZUFQPHJDHKATC-CHWSQXEVSA-N 1 0 398.345 2.634 20 0 GFADRO COC(=O)c1ccc(Br)c(CN2CCC(CO)([NH2+]C(C)C)CC2)c1 ZINC000930613727 664774575 /nfs/dbraw/zinc/77/45/75/664774575.db2.gz MEOCVZJVQYTKSB-UHFFFAOYSA-N 1 0 399.329 2.561 20 0 GFADRO COC(=O)c1c(Br)ccc(NC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2C)c1C ZINC000931079842 664784737 /nfs/dbraw/zinc/78/47/37/664784737.db2.gz DEQZWDZKJDALNH-ZWNOBZJWSA-N 1 0 384.274 2.758 20 0 GFADRO COC(=O)c1cccc(NC(=O)NCC2([NH+](C)C)CCC2)c1Br ZINC000931086051 664785088 /nfs/dbraw/zinc/78/50/88/664785088.db2.gz DUTPDNOBIFNCKG-UHFFFAOYSA-N 1 0 384.274 2.842 20 0 GFADRO COc1ccc(NC(=O)N[C@H]2CC[N@H+](C)[C@H]2C)c(I)c1 ZINC000931089559 664785431 /nfs/dbraw/zinc/78/54/31/664785431.db2.gz WVKKQCVKBSPREB-CABZTGNLSA-N 1 0 389.237 2.514 20 0 GFADRO COc1c(C)cnc(CN(C)C(=O)c2cc(=O)[nH]cc2Br)c1C ZINC000931146136 664786995 /nfs/dbraw/zinc/78/69/95/664786995.db2.gz USMFDEOSFLXDJW-UHFFFAOYSA-N 1 0 380.242 2.842 20 0 GFADRO Cc1cc(Br)ccc1[C@H]1CCC[N@@H+]1C[C@@H](O)C1(O)CCOCC1 ZINC000931260925 664789646 /nfs/dbraw/zinc/78/96/46/664789646.db2.gz HPVYLDZHAAIPBD-IAGOWNOFSA-N 1 0 384.314 2.797 20 0 GFADRO CCn1ncc(NC(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@@H]23)c1C(F)(F)F ZINC000931264068 664789865 /nfs/dbraw/zinc/78/98/65/664789865.db2.gz ZEFJSMLJXUZRRD-PWSUYJOCSA-N 1 0 377.436 2.623 20 0 GFADRO C[NH+]1C[C@@]2(C)CN(Cc3nnc(-c4ccc(Br)o4)o3)C[C@]2(C)C1 ZINC000931305031 664791026 /nfs/dbraw/zinc/79/10/26/664791026.db2.gz TZFHNWULFTWWIC-HOTGVXAUSA-N 1 0 381.274 2.866 20 0 GFADRO Cc1cnc(Br)c(NC(=O)N[C@H]2CCC[N@@H+]3CCSC[C@@H]23)c1 ZINC000931507885 664796762 /nfs/dbraw/zinc/79/67/62/664796762.db2.gz ALPVHXUEEMPVRE-AAEUAGOBSA-N 1 0 385.331 2.854 20 0 GFADRO O=C(N[C@@H](c1nccs1)C(F)(F)F)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000931558374 664798860 /nfs/dbraw/zinc/79/88/60/664798860.db2.gz UDDJGEWIZBVOHD-VWYCJHECSA-N 1 0 380.461 2.626 20 0 GFADRO CCOC(=O)c1nc(NC(=O)NC(C)(C)C[NH+](C)C)sc1C(F)(F)F ZINC000931595447 664800382 /nfs/dbraw/zinc/80/03/82/664800382.db2.gz GZJJZEUVLPQHOH-UHFFFAOYSA-N 1 0 382.408 2.800 20 0 GFADRO C[C@H](CNC(=O)c1cc(Br)cnc1Br)[N@H+](C)C1CC1 ZINC000931779320 664804894 /nfs/dbraw/zinc/80/48/94/664804894.db2.gz NEPYTEJFJIAQRO-MRVPVSSYSA-N 1 0 391.107 2.819 20 0 GFADRO C[N@@H+]1C[C@H]2CCN(C(=O)Nc3ccc(I)cc3F)[C@H]2C1 ZINC000931913779 664807198 /nfs/dbraw/zinc/80/71/98/664807198.db2.gz HLAWWUMGOWBMGG-RNCFNFMXSA-N 1 0 389.212 2.598 20 0 GFADRO Cc1nc([C@@H]2CC[N@H+](CCC(=O)Nc3cccc(Br)c3)C2)no1 ZINC000931940933 664807514 /nfs/dbraw/zinc/80/75/14/664807514.db2.gz NXJSAAKMCIWEME-GFCCVEGCSA-N 1 0 379.258 2.959 20 0 GFADRO O=C(NCC[NH+]1CCC(O)CC1)Nc1ccc(Br)c2ncccc12 ZINC000931947946 664807823 /nfs/dbraw/zinc/80/78/23/664807823.db2.gz FNJFDDNBRITZMH-UHFFFAOYSA-N 1 0 393.285 2.576 20 0 GFADRO Cn1nccc1[C@@H]1CCC[N@@H+]1C[C@@H](O)COc1ccc(Br)cc1 ZINC000932275078 664817888 /nfs/dbraw/zinc/81/78/88/664817888.db2.gz LZEIFIMRDNXAMH-PBHICJAKSA-N 1 0 380.286 2.759 20 0 GFADRO COC(C)(C)[C@@H](C)[NH2+]CC(=O)Nc1ccccc1I ZINC000932370954 664820503 /nfs/dbraw/zinc/82/05/03/664820503.db2.gz WEDQCRRLTFKRGR-SNVBAGLBSA-N 1 0 376.238 2.633 20 0 GFADRO C[C@H](CNC(=O)C/C=C\c1ccc(Br)cc1)N1CC[NH+](C)CC1 ZINC000932723764 664833502 /nfs/dbraw/zinc/83/35/02/664833502.db2.gz SXRRJDNODPCUIA-ABCZVMIZSA-N 1 0 380.330 2.605 20 0 GFADRO Cc1ncc(NC(=O)N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)c(C)c1Br ZINC000932774880 664836963 /nfs/dbraw/zinc/83/69/63/664836963.db2.gz KENCXQVJLAPSAG-NSHDSACASA-N 1 0 399.333 2.770 20 0 GFADRO Cc1ccc(S(=O)(=O)CCCN2CCC(CO)(C(F)(F)F)CC2)cc1 ZINC000932828082 664841039 /nfs/dbraw/zinc/84/10/39/664841039.db2.gz MOJUPFZMTAGWLA-UHFFFAOYSA-N 1 0 379.444 2.796 20 0 GFADRO O=C1NC[C@H](O)CC12CC[NH+](Cc1cc(Cl)cc(Br)c1)CC2 ZINC000932831912 664841454 /nfs/dbraw/zinc/84/14/54/664841454.db2.gz WRISRDCZZLPJFR-CQSZACIVSA-N 1 0 387.705 2.566 20 0 GFADRO O[C@H](COc1c(Cl)cccc1Cl)C[NH+]1CCC2(CC1)C[C@@H](O)CCO2 ZINC000933066336 664849093 /nfs/dbraw/zinc/84/90/93/664849093.db2.gz NHTQOXCYZALHBP-KBPBESRZSA-N 1 0 390.307 2.739 20 0 GFADRO OC[C@@H]([NH2+]C[C@H](O)COCc1cccs1)c1ccccc1C(F)(F)F ZINC000933245850 664853394 /nfs/dbraw/zinc/85/33/94/664853394.db2.gz FMEHDZMAAMSBGN-BLLLJJGKSA-N 1 0 375.412 2.968 20 0 GFADRO C[C@H]([NH2+]CCc1ccc(S(N)(=O)=O)cc1)c1cc(Cl)cc2c1OCC2 ZINC000933270909 664853849 /nfs/dbraw/zinc/85/38/49/664853849.db2.gz HAUQMKAGZLDNEI-LBPRGKRZSA-N 1 0 380.897 2.816 20 0 GFADRO CN(Cc1cc(Br)cs1)C(=O)C[NH2+][C@]12C[C@H]1COC21CCC1 ZINC000933392201 664862010 /nfs/dbraw/zinc/86/20/10/664862010.db2.gz JFVIPSQUZJBLAZ-MEDUHNTESA-N 1 0 385.327 2.770 20 0 GFADRO CN(Cc1ccco1)C(=O)C[NH2+][C@](C)(CO)Cc1ccc(Br)cc1 ZINC000933436752 664864017 /nfs/dbraw/zinc/86/40/17/664864017.db2.gz HEVAMFVOTZQFEM-SFHVURJKSA-N 1 0 395.297 2.584 20 0 GFADRO CC(C)Cn1ncnc1C[NH2+][C@@](C)(CO)Cc1ccc(Br)cc1 ZINC000933438808 664864229 /nfs/dbraw/zinc/86/42/29/664864229.db2.gz FNUWWFQFGFUNCR-QGZVFWFLSA-N 1 0 381.318 2.780 20 0 GFADRO C[C@H]1C[C@H](NC(=O)c2cc3ccc(Br)cc3c(=O)o2)CC[N@@H+]1C ZINC000933492298 664866972 /nfs/dbraw/zinc/86/69/72/664866972.db2.gz SUQFFTNMWVWSRO-GXFFZTMASA-N 1 0 379.254 2.768 20 0 GFADRO C[NH+]1CCC(CNC(=O)c2cc(C=O)sc2Cl)(N2CCCCC2)CC1 ZINC000933624122 664870498 /nfs/dbraw/zinc/87/04/98/664870498.db2.gz GZDBBQSMLMTIDC-UHFFFAOYSA-N 1 0 383.945 2.894 20 0 GFADRO O=C1OCCCN1C1CC[NH+](C[C@@H](O)c2ccc(Br)cc2)CC1 ZINC000933615153 664870532 /nfs/dbraw/zinc/87/05/32/664870532.db2.gz YPFPCVHWUNGMOG-MRXNPFEDSA-N 1 0 383.286 2.789 20 0 GFADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc3ccc(Br)cc3c(=O)o2)C1 ZINC000933798344 664878346 /nfs/dbraw/zinc/87/83/46/664878346.db2.gz OLFOAGVAQRYTBC-LBPRGKRZSA-N 1 0 393.281 2.969 20 0 GFADRO CCOC(=O)C1([C@@H](C)[NH2+]Cc2ncc(Br)s2)CCOCC1 ZINC000933875905 664879613 /nfs/dbraw/zinc/87/96/13/664879613.db2.gz FJBWFQZZJSENAJ-SNVBAGLBSA-N 1 0 377.304 2.744 20 0 GFADRO COCCOc1ccc(NC(=O)NC[C@H](C)C[NH+](C)C)cc1Br ZINC000933984591 664884525 /nfs/dbraw/zinc/88/45/25/664884525.db2.gz QGWIJOVXVOLBJF-LBPRGKRZSA-N 1 0 388.306 2.794 20 0 GFADRO OC[C@@H]1COc2ccccc2[C@@H]1[NH2+]C[C@@H](O)c1ccccc1Br ZINC000934214320 664892493 /nfs/dbraw/zinc/89/24/93/664892493.db2.gz OOCAUBBIWUHZPK-XHBKTUGNSA-N 1 0 378.266 2.814 20 0 GFADRO O=C(CC[N@H+]1CC[C@H]2[C@@H]1CCCN2CCO)Nc1cc(Cl)ccc1Cl ZINC000934264764 664895578 /nfs/dbraw/zinc/89/55/78/664895578.db2.gz PEXYTSQREUEAAK-IRXDYDNUSA-N 1 0 386.323 2.853 20 0 GFADRO OCC[N@@H+]1CCC[C@H]2[C@@H]1CCN2Cc1nc2cc(Br)ccc2o1 ZINC000934268408 664896286 /nfs/dbraw/zinc/89/62/86/664896286.db2.gz JESWLYBMGXXHRA-GJZGRUSLSA-N 1 0 380.286 2.621 20 0 GFADRO COC(=O)c1ccc(Br)c(C[NH2+][C@H]2CCOC23CCOCC3)c1 ZINC000934399907 664905525 /nfs/dbraw/zinc/90/55/25/664905525.db2.gz QUVRGQKUPFBBPB-HNNXBMFYSA-N 1 0 384.270 2.663 20 0 GFADRO Cc1c(Br)cc(F)cc1C(=O)NCC1(O)CC[NH+](C(C)C)CC1 ZINC000934733972 664916187 /nfs/dbraw/zinc/91/61/87/664916187.db2.gz BATOLFQKKUQFTE-UHFFFAOYSA-N 1 0 387.293 2.862 20 0 GFADRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2cnn3cccc(Br)c23)C1 ZINC000934953235 664931699 /nfs/dbraw/zinc/93/16/99/664931699.db2.gz YBUCKKVLESYOIG-WFASDCNBSA-N 1 0 377.286 2.653 20 0 GFADRO Cc1cc(C(=O)N(C)CCC[NH+](C)C)nn1-c1ccccc1Br ZINC000935243131 664948184 /nfs/dbraw/zinc/94/81/84/664948184.db2.gz KHSQGKXTKVMJPV-UHFFFAOYSA-N 1 0 379.302 2.967 20 0 GFADRO Cc1cc(C(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)oc1Br ZINC000935317064 664953542 /nfs/dbraw/zinc/95/35/42/664953542.db2.gz JBPHDKHNCIBHFS-HNNXBMFYSA-N 1 0 393.281 2.847 20 0 GFADRO Cc1cc(C(=O)N[C@H]2CC[C@@H]([NH+]3CCN(C)CC3)CC2)oc1Br ZINC000935390889 664958858 /nfs/dbraw/zinc/95/88/58/664958858.db2.gz ALPHCMAYWRUIGL-OKILXGFUSA-N 1 0 384.318 2.639 20 0 GFADRO C[C@@H](NC(=O)c1cc(=O)n(C)cc1Br)[C@H](c1ccccc1)[NH+](C)C ZINC000935437059 664961575 /nfs/dbraw/zinc/96/15/75/664961575.db2.gz GINJTKGBJVQIGI-SJKOYZFVSA-N 1 0 392.297 2.569 20 0 GFADRO CCc1ccc(Br)cc1C(=O)N[C@H](C)CC[NH+]1CCN(C)CC1 ZINC000935446100 664962155 /nfs/dbraw/zinc/96/21/55/664962155.db2.gz QXDXAJLBTPTCEH-CQSZACIVSA-N 1 0 382.346 2.767 20 0 GFADRO CCN(CCC[NH+](C)C)C(=O)c1cc2ccc(Br)cc2c(=O)o1 ZINC000935581548 664971399 /nfs/dbraw/zinc/97/13/99/664971399.db2.gz NSVZQKMSERZNCQ-UHFFFAOYSA-N 1 0 381.270 2.969 20 0 GFADRO C[C@H](C(=O)N1CCC2(C[NH+](C)C2)C1)c1ccc(I)cc1 ZINC000935667388 664979923 /nfs/dbraw/zinc/97/99/23/664979923.db2.gz UTHDTMBKQMBRHF-LBPRGKRZSA-N 1 0 384.261 2.559 20 0 GFADRO CC[C@H]1C[N@H+](C)CCCN1C(=O)c1cc(Br)c2nccnc2c1 ZINC000935774356 664987855 /nfs/dbraw/zinc/98/78/55/664987855.db2.gz GOXJSQJCUOJPFF-ZDUSSCGKSA-N 1 0 377.286 2.949 20 0 GFADRO CN(CCC[N@H+](C)Cc1ccco1)C(=O)c1ccc(Br)[nH]c1=O ZINC000935962188 665001498 /nfs/dbraw/zinc/00/14/98/665001498.db2.gz CIADDMGFXOVLBE-UHFFFAOYSA-N 1 0 382.258 2.737 20 0 GFADRO Cc1ccc(Br)c2cc(C(=O)N3CC[C@@H]([N@@H+]4CC[C@@H](O)C4)C3)[nH]c21 ZINC000935981320 665002443 /nfs/dbraw/zinc/00/24/43/665002443.db2.gz QAYYKRDPZQJOLS-CHWSQXEVSA-N 1 0 392.297 2.520 20 0 GFADRO C[C@H]1CCN(c2ncnc3cccc(I)c32)[C@H](C[NH3+])C1 ZINC000957128492 665013175 /nfs/dbraw/zinc/01/31/75/665013175.db2.gz WBFGRQREDNIWCS-QWRGUYRKSA-N 1 0 382.249 2.798 20 0 GFADRO C[N@@H+]1CCCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cscc1Cl)C2 ZINC000997468327 665036433 /nfs/dbraw/zinc/03/64/33/665036433.db2.gz UCAFQLKSZHGGGN-MEYUZBJRSA-N 1 0 381.929 2.748 20 0 GFADRO C[C@H]1CCC[N@@H+]1CC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cscc1Cl)C2 ZINC000997468353 665036448 /nfs/dbraw/zinc/03/64/48/665036448.db2.gz UHNZAJCIABMGLX-VZAMPYOESA-N 1 0 381.929 2.748 20 0 GFADRO C[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)c2ccsc2Cl)CC1 ZINC000997888383 665037870 /nfs/dbraw/zinc/03/78/70/665037870.db2.gz WRHBUIYBSIPOCN-SNPRPXQTSA-N 1 0 381.929 2.605 20 0 GFADRO C[C@H]1CC[N@H+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)c2ccc(Cl)s2)C1 ZINC001000481007 665047005 /nfs/dbraw/zinc/04/70/05/665047005.db2.gz FZQMXLFIQNAQIJ-CRWXNKLISA-N 1 0 381.929 2.605 20 0 GFADRO C[C@@H]1[C@H](C(=O)N[C@H]2CCN(c3nc(C(F)(F)F)cs3)[C@@H]2C)CC[N@@H+]1C ZINC001051145825 665077735 /nfs/dbraw/zinc/07/77/35/665077735.db2.gz NUEJKRIEUWDCBY-KKOKHZNYSA-N 1 0 376.448 2.586 20 0 GFADRO C[C@@H](CC(=O)NC[C@H](C)N1CC[NH+](C)CC1)c1ccc(Br)cc1 ZINC000120483288 677396389 /nfs/dbraw/zinc/39/63/89/677396389.db2.gz NKENOICTQIRKCO-GJZGRUSLSA-N 1 0 382.346 2.695 20 0 GFADRO O=S(=O)(NC[C@@H]1CCC[NH2+]1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000198014070 677404863 /nfs/dbraw/zinc/40/48/63/677404863.db2.gz IPOLPOPRIBHSKQ-JTQLQIEISA-N 1 0 376.322 2.755 20 0 GFADRO CC(C)(C)OC(=O)N1CCC(C[NH2+]CCn2cc(Br)cn2)CC1 ZINC000390733191 677408878 /nfs/dbraw/zinc/40/88/78/677408878.db2.gz ZCUKQXNHADBOMH-UHFFFAOYSA-N 1 0 387.322 2.882 20 0 GFADRO CN(CCC[NH+]1CCCC1)C(=O)C(C)(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000580113100 677673649 /nfs/dbraw/zinc/67/36/49/677673649.db2.gz WJSKLTRLBYCWKE-UHFFFAOYSA-N 1 0 386.945 2.837 20 0 GFADRO O=C(NCc1cc(Cl)ccc1Br)c1cn(C2CC[NH2+]CC2)nn1 ZINC000580309835 677674133 /nfs/dbraw/zinc/67/41/33/677674133.db2.gz MSDRLIGBSZRBQO-UHFFFAOYSA-N 1 0 398.692 2.549 20 0 GFADRO OC[C@]12C[NH2+]C[C@@H]1CN(C(F)(F)c1ccc(-c3ccnc(Cl)c3)cc1)C2 ZINC001164402114 718851076 /nfs/dbraw/zinc/85/10/76/718851076.db2.gz DYHHIAXCNDZPSJ-SJLPKXTDSA-N 1 0 379.838 2.965 20 0 GFADRO FC(F)(c1cc(-c2ccco2)nnc1Cl)N1CCO[C@@H]2C[NH2+]CC[C@H]2C1 ZINC001164408642 718864586 /nfs/dbraw/zinc/86/45/86/718864586.db2.gz MXFVVDGZVCCSHN-XHDPSFHLSA-N 1 0 384.814 2.750 20 0 GFADRO FC(F)(c1nc(Cl)nc2[nH]cnc21)N1C[C@H]2[NH2+]Cc3ccccc3[C@H]2C1 ZINC001164424556 718946136 /nfs/dbraw/zinc/94/61/36/718946136.db2.gz PFPCJWCYHYFZGO-VXGBXAGGSA-N 1 0 376.798 2.578 20 0 GFADRO CN(C)c1cc(C(F)(F)N2C[C@H]3[NH2+]Cc4ccccc4[C@H]3C2)nc(Cl)n1 ZINC001164429424 718946320 /nfs/dbraw/zinc/94/63/20/718946320.db2.gz PDYLJDHVDFAFOT-ZIAGYGMSSA-N 1 0 379.842 2.817 20 0 GFADRO COC(=O)c1c[nH]c2ncnc(N3CCC[C@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)c12 ZINC001164625094 719085008 /nfs/dbraw/zinc/08/50/08/719085008.db2.gz MQGBJDHUVNGPIR-WMZOPIPTSA-N 1 0 391.475 2.845 20 0 GFADRO [NH3+]C1([C@H]2CN(c3ncnc4c3CN(Cc3ccccc3)CC4)C[C@@H]2CF)CC1 ZINC001164621830 719116496 /nfs/dbraw/zinc/11/64/96/719116496.db2.gz BDOSTAZOVRIZKP-HKUYNNGSSA-N 1 0 381.499 2.548 20 0 GFADRO COC(=O)[C@@H]1C[NH2+]CCN1C(F)(F)Oc1ccccc1-c1cccc(Cl)n1 ZINC001164629707 719137131 /nfs/dbraw/zinc/13/71/31/719137131.db2.gz CHABERLXXGTOFX-AWEZNQCLSA-N 1 0 397.809 2.778 20 0 GFADRO COc1ccc(Cn2cc3[nH]c(N4C[C@H](C)[N@H+](C)C[C@@H]4C)ccc-3c2=O)cc1 ZINC001164638316 719231156 /nfs/dbraw/zinc/23/11/56/719231156.db2.gz OCIIAZSQTQQVDR-HOTGVXAUSA-N 1 0 380.492 2.775 20 0 GFADRO CCN(CC)C(=O)c1nc2c(s1)CCN(c1cc(C[NH+](C)C)ccn1)CC2 ZINC001164665452 719359876 /nfs/dbraw/zinc/35/98/76/719359876.db2.gz XOHRBLAMIQCLLU-UHFFFAOYSA-N 1 0 387.553 2.687 20 0 GFADRO CC(C)N(C)Cc1nn(-c2nccc(OCc3ccccc3)n2)c2c1CC[NH2+]C2 ZINC001164684693 719622146 /nfs/dbraw/zinc/62/21/46/719622146.db2.gz WJMXHTQLYHMQBL-UHFFFAOYSA-N 1 0 392.507 2.727 20 0 GFADRO Cn1cc([C@@H]2COC3(C2)CCN(c2ccc(C[N@H+](C)C4CC4)cn2)CC3)cn1 ZINC001164697606 719826641 /nfs/dbraw/zinc/82/66/41/719826641.db2.gz PKHOQKWRALFFTL-SFHVURJKSA-N 1 0 381.524 2.952 20 0 GFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cc(Cl)ncc1C(=O)OC)C2 ZINC001164814838 720071014 /nfs/dbraw/zinc/07/10/14/720071014.db2.gz XDAAJRUKWRDRDS-MGPUTAFESA-N 1 0 393.915 2.706 20 0 GFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cc(C(=O)OC)c(Cl)cn1)C2 ZINC001164809203 720076995 /nfs/dbraw/zinc/07/69/95/720076995.db2.gz IYFIWZKQWCUCQO-FOIQADDNSA-N 1 0 393.915 2.706 20 0 GFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(Cl)nc3cccnc31)C2 ZINC001164813169 720089049 /nfs/dbraw/zinc/08/90/49/720089049.db2.gz SVCWDLVNPYBYCH-MGPUTAFESA-N 1 0 387.915 2.863 20 0 GFADRO CCOc1ccc(N2CCC3(C[C@@H](COC)[N@H+](Cc4ccccn4)C3)CC2)nn1 ZINC001164709535 720098018 /nfs/dbraw/zinc/09/80/18/720098018.db2.gz AHJJTNZGEIOEMY-IBGZPJMESA-N 1 0 397.523 2.778 20 0 GFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1cnnc(Cl)c1)C2 ZINC001164811602 720117966 /nfs/dbraw/zinc/11/79/66/720117966.db2.gz MUDJDACWBQMYIE-NVXWUHKLSA-N 1 0 386.874 2.860 20 0 GFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ncc3cc(OC)ccc3n1)C2 ZINC001164811597 720122920 /nfs/dbraw/zinc/12/29/20/720122920.db2.gz MUCPTFXOPCTABZ-AVRDEDQJSA-N 1 0 382.508 2.823 20 0 GFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(C(=O)OC)ccc1Cl)C2 ZINC001164815852 720124660 /nfs/dbraw/zinc/12/46/60/720124660.db2.gz WKSCBTWGVUYRFB-YWZLYKJASA-N 1 0 393.915 2.706 20 0 GFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ncc(C)cc1C(OC)OC)C2 ZINC001164816255 720150752 /nfs/dbraw/zinc/15/07/52/720150752.db2.gz KLYLDBDVXXPDDU-PGRDOPGGSA-N 1 0 389.540 2.866 20 0 GFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ncccc1C(=O)OC(C)C)C2 ZINC001164818526 720195093 /nfs/dbraw/zinc/19/50/93/720195093.db2.gz TUUGYJRBKHBTEC-GCJKJVERSA-N 1 0 387.524 2.832 20 0 GFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ncccc1C(=O)OC(C)C)C2 ZINC001164818525 720195486 /nfs/dbraw/zinc/19/54/86/720195486.db2.gz TUUGYJRBKHBTEC-AVRDEDQJSA-N 1 0 387.524 2.832 20 0 GFADRO Cc1nc(C(C)C)cc(N2CCCn3c(=O)cc(C[N@@H+](C)C(C)C)nc3C2)n1 ZINC001164813471 720212589 /nfs/dbraw/zinc/21/25/89/720212589.db2.gz QAAVQTRJOQZAHI-UHFFFAOYSA-N 1 0 384.528 2.716 20 0 GFADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1ncnc3ccc(F)cc31)CCC2 ZINC001164814033 720213451 /nfs/dbraw/zinc/21/34/51/720213451.db2.gz RZTZGKHIQAKNII-UHFFFAOYSA-N 1 0 396.470 2.576 20 0 GFADRO Cc1c[nH]c2nc(N3CCCn4c(=O)cc(C[N@@H+](C)C(C)C)nc4C3)ccc12 ZINC001164812907 720217344 /nfs/dbraw/zinc/21/73/44/720217344.db2.gz KGARKYRSOXEQRV-UHFFFAOYSA-N 1 0 380.496 2.679 20 0 GFADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2ncnc3cc(F)ccc32)CC1 ZINC001164819585 720299027 /nfs/dbraw/zinc/29/90/27/720299027.db2.gz DNGBVOBQKQIHIZ-UXHICEINSA-N 1 0 397.498 2.680 20 0 GFADRO Cc1c[nH]c2nc(N3CC[C@@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)ccc12 ZINC001164825124 720308715 /nfs/dbraw/zinc/30/87/15/720308715.db2.gz SLHBACHNNHSCHB-RTBURBONSA-N 1 0 381.524 2.783 20 0 GFADRO COc1cc(Cl)ncc1N1CC[C@@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164819658 720310446 /nfs/dbraw/zinc/31/04/46/720310446.db2.gz FPCBUWFTGHNLFG-HZPDHXFCSA-N 1 0 392.931 2.655 20 0 GFADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2ncnc3cccc(F)c32)CC1 ZINC001164825389 720322502 /nfs/dbraw/zinc/32/25/02/720322502.db2.gz DLTBGTZZODRAIE-MOPGFXCFSA-N 1 0 397.498 2.680 20 0 GFADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2nccc3ncsc32)CC1 ZINC001164825427 720331032 /nfs/dbraw/zinc/33/10/32/720331032.db2.gz DVASBLXVRCCTRN-IRXDYDNUSA-N 1 0 385.537 2.603 20 0 GFADRO COC(=O)/C=C\c1cc(C)cnc1N1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164732154 720418484 /nfs/dbraw/zinc/41/84/84/720418484.db2.gz NDTUOUVPSRASOT-XSXCZSQGSA-N 1 0 378.476 2.824 20 0 GFADRO CCOC(=O)c1cc(Cl)nc(N2Cc3nccn3C[C@H](C[NH+](C)C)C2)c1C ZINC001164728693 720514010 /nfs/dbraw/zinc/51/40/10/720514010.db2.gz KRSUAJHNYDSRBS-AWEZNQCLSA-N 1 0 391.903 2.615 20 0 GFADRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(c2nc3ccccc3nc2N2CCCC2)C1 ZINC001164731867 720522663 /nfs/dbraw/zinc/52/26/63/720522663.db2.gz BDSBFZWCNGEBJF-QGZVFWFLSA-N 1 0 391.523 2.625 20 0 GFADRO C[NH+](C)Cc1ccnc(N2CCO[C@]3(CCC[C@@H]3COc3ccccn3)C2)c1 ZINC001164736001 720542110 /nfs/dbraw/zinc/54/21/10/720542110.db2.gz UCBLCACGFLHOHQ-DENIHFKCSA-N 1 0 382.508 2.993 20 0 GFADRO Cc1nc2ccc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cccn5)[N@H+]4C(C)C)C3)nc2n1C ZINC001164842147 720544943 /nfs/dbraw/zinc/54/49/43/720544943.db2.gz WYTBGWWJTXEGBU-NLWGTHIKSA-N 1 0 393.539 2.851 20 0 GFADRO F[C@H](Oc1cccc(Cl)n1)N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001164727357 720566180 /nfs/dbraw/zinc/56/61/80/720566180.db2.gz FKDALQQFSFWNTG-SFHVURJKSA-N 1 0 379.867 2.718 20 0 GFADRO Cc1cc(C(F)(F)N2CCc3ncc(C[NH+]4CCCC4)n3CC2)c(Cl)nn1 ZINC001164736768 720584397 /nfs/dbraw/zinc/58/43/97/720584397.db2.gz SVYKVMSDHQFMMK-UHFFFAOYSA-N 1 0 396.873 2.838 20 0 GFADRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1nccc3c1C(=O)NC3)CC2 ZINC001164844521 720691850 /nfs/dbraw/zinc/69/18/50/720691850.db2.gz SQUXMGKVQJHIAY-LJQANCHMSA-N 1 0 392.503 2.585 20 0 GFADRO CSc1cccnc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164743605 720833507 /nfs/dbraw/zinc/83/35/07/720833507.db2.gz JPRSXNFSJYZZLW-FGTMMUONSA-N 1 0 384.553 2.774 20 0 GFADRO CSCc1ccc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc1 ZINC001164745976 720852737 /nfs/dbraw/zinc/85/27/37/720852737.db2.gz FBPLMNVOFJRUEJ-HSALFYBXSA-N 1 0 398.580 2.916 20 0 GFADRO c1ncn(C[C@H]2C[C@H]3CN(c4cc(C5CCC5)ncn4)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164750195 720854738 /nfs/dbraw/zinc/85/47/38/720854738.db2.gz OOHHYBLSSFDLPN-QKNQBKEWSA-N 1 0 393.539 2.715 20 0 GFADRO CCCCc1cc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)ncn1 ZINC001164748189 720855028 /nfs/dbraw/zinc/85/50/28/720855028.db2.gz LCXRQUJTGRBGDP-CEWLAPEOSA-N 1 0 395.555 2.790 20 0 GFADRO CSCc1ccnc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c1 ZINC001164749438 720855639 /nfs/dbraw/zinc/85/56/39/720855639.db2.gz NFDKDUSXAJYNFS-SLFFLAALSA-N 1 0 398.580 2.916 20 0 GFADRO COCC[N@@H+]1CCO[C@H]2CN(c3ccc(-c4ccc(C)cc4)nn3)CC[C@H]2C1 ZINC001164853805 720873659 /nfs/dbraw/zinc/87/36/59/720873659.db2.gz CVKPXCPKCXNBIB-FPOVZHCZSA-N 1 0 382.508 2.626 20 0 GFADRO Nc1ccc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc1 ZINC001164749911 720874961 /nfs/dbraw/zinc/87/49/61/720874961.db2.gz ICEYJUKQTVPLFQ-NZQKXSOJSA-N 1 0 393.535 2.814 20 0 GFADRO COCC[N@@H+]1CCO[C@@H]2CN(c3nnc(Cl)c4ccc(F)cc43)CC[C@H]2C1 ZINC001164865253 720884241 /nfs/dbraw/zinc/88/42/41/720884241.db2.gz ZDWAMEKQHVYLCZ-SUMWQHHRSA-N 1 0 394.878 2.596 20 0 GFADRO Fc1ccc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)nn1 ZINC001164757138 720892747 /nfs/dbraw/zinc/89/27/47/720892747.db2.gz SWMGUFHKUSUFPM-UGKGYDQZSA-N 1 0 397.498 2.766 20 0 GFADRO C[NH+](C)Cc1ccnc(N2CC[C@@]3(C2)C[C@@H](NC(=O)c2ccccc2)CCO3)c1 ZINC001164855213 720902659 /nfs/dbraw/zinc/90/26/59/720902659.db2.gz HWNCWPXRBMSBSI-REWPJTCUSA-N 1 0 394.519 2.701 20 0 GFADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1ncccc1C(=O)N1CCCC1)[C@@H]2C ZINC001164854566 720919665 /nfs/dbraw/zinc/91/96/65/720919665.db2.gz FXZOLVNNWSFPTN-QGZVFWFLSA-N 1 0 396.539 2.936 20 0 GFADRO CCOC(=O)c1cc(C)nc(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@@H]2C)n1 ZINC001164857000 720943436 /nfs/dbraw/zinc/94/34/36/720943436.db2.gz DXDXCTNNZJFLRG-HNNXBMFYSA-N 1 0 386.500 2.580 20 0 GFADRO C[NH+](C)CCNC(=O)c1noc2c1CN(c1cc(Cl)nc3ccccc31)CC2 ZINC001164752891 720944470 /nfs/dbraw/zinc/94/44/70/720944470.db2.gz PGXZBWWGXWYOOJ-UHFFFAOYSA-N 1 0 399.882 2.730 20 0 GFADRO C[NH+](C)CCNC(=O)c1noc2c1CN(c1nccc3cccc(Cl)c31)CC2 ZINC001164749224 720955927 /nfs/dbraw/zinc/95/59/27/720955927.db2.gz BMBQRZCJDGRLBD-UHFFFAOYSA-N 1 0 399.882 2.730 20 0 GFADRO COc1cc(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@H]2C)nc(SC)n1 ZINC001164857634 720960681 /nfs/dbraw/zinc/96/06/81/720960681.db2.gz GSRAGKJZQSZGBS-CYBMUJFWSA-N 1 0 376.530 2.825 20 0 GFADRO C[NH+]1CCN(c2ccc(N3CCC[C@@]4(C[C@@H](c5ccccc5)CO4)C3)nn2)CC1 ZINC001164774626 721058146 /nfs/dbraw/zinc/05/81/46/721058146.db2.gz XKOSGTYFQJGODS-NFBKMPQASA-N 1 0 393.535 2.772 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(C(F)(F)c4cccc(Cl)n4)C[C@@H]3C2)cn1 ZINC001164761573 721074699 /nfs/dbraw/zinc/07/46/99/721074699.db2.gz CAFBIECHUNTOPN-CABCVRRESA-N 1 0 381.858 2.972 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4cc(Oc5ccccc5)ncn4)C[C@H]3C2)cn1 ZINC001164765866 721091685 /nfs/dbraw/zinc/09/16/85/721091685.db2.gz KBBDEPXNZQCQKL-RBUKOAKNSA-N 1 0 390.491 2.961 20 0 GFADRO CSc1nc(Cl)ncc1N1C[C@@H]2CC[N@H+](Cc3cnn(C)c3)C[C@@H]2C1 ZINC001164773580 721131671 /nfs/dbraw/zinc/13/16/71/721131671.db2.gz YKDHDLAXBCNWGZ-UONOGXRCSA-N 1 0 378.933 2.544 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(C(F)(F)c4cnc(Cl)cc4N)C[C@H]3C2)cn1 ZINC001164773804 721140641 /nfs/dbraw/zinc/14/06/41/721140641.db2.gz ZCIFRSRTOYXIAW-UONOGXRCSA-N 1 0 396.873 2.554 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4ncc5cc(Cl)ccc5n4)C[C@H]3C2)cn1 ZINC001164761734 721144266 /nfs/dbraw/zinc/14/42/66/721144266.db2.gz BALNPLBTSNEUND-DOTOQJQBSA-N 1 0 382.899 2.975 20 0 GFADRO Clc1nc2c(nc1N1CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C1)CCCC2 ZINC001164867165 721188826 /nfs/dbraw/zinc/18/88/26/721188826.db2.gz FBENEGMCILZBND-IAGOWNOFSA-N 1 0 399.926 2.884 20 0 GFADRO Cc1cnc(N2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)c(Cl)c1 ZINC001164884408 721387831 /nfs/dbraw/zinc/38/78/31/721387831.db2.gz ARCMTJIYCYBPEG-YLJYHZDGSA-N 1 0 378.948 2.809 20 0 GFADRO Cc1cc2c(ccnc2N2CC[C@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)o1 ZINC001164893128 721439543 /nfs/dbraw/zinc/43/95/43/721439543.db2.gz JFRDWMMOPIAYRX-AVRDEDQJSA-N 1 0 384.524 2.902 20 0 GFADRO CCSc1ccnc(N2CC[C@@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)c1 ZINC001164894290 721445738 /nfs/dbraw/zinc/44/57/38/721445738.db2.gz LLALWFXTPBQEBA-GHTZIAJQSA-N 1 0 390.597 2.959 20 0 GFADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(C)ncc1F)CC2 ZINC001164784510 721454872 /nfs/dbraw/zinc/45/48/72/721454872.db2.gz FUQGVNNZSXIUHK-GOSISDBHSA-N 1 0 392.519 2.658 20 0 GFADRO Cc1nc(CN2CC[C@@]3(CCCN(c4cc(C[NH+](C)C)ccn4)C3)C2=O)cs1 ZINC001164887802 721461961 /nfs/dbraw/zinc/46/19/61/721461961.db2.gz JZIIBLGLHRKUND-OAQYLSRUSA-N 1 0 399.564 2.927 20 0 GFADRO CC(C)(c1ccnc(Cl)c1)[N@@H+]1C[C@@H]2COC[C@]2(CC(=O)NCC2CC2)C1 ZINC001164899669 721485172 /nfs/dbraw/zinc/48/51/72/721485172.db2.gz ZSLIPZMYGRKEHM-UZLBHIALSA-N 1 0 377.916 2.835 20 0 GFADRO Fc1cccnc1OC[C@@]12COC[C@H]1CN(c1ccc(C[NH+]3CCCC3)cn1)C2 ZINC001164793346 721487730 /nfs/dbraw/zinc/48/77/30/721487730.db2.gz QPLLDHDLRZBOHQ-XMSQKQJNSA-N 1 0 398.482 2.743 20 0 GFADRO Cc1cccc2ccnc(N3CCn4cc(CN5CC[NH+](C)CC5)nc4C3)c12 ZINC001164794785 721520881 /nfs/dbraw/zinc/52/08/81/721520881.db2.gz HQUWZTKEEXBKJI-UHFFFAOYSA-N 1 0 376.508 2.507 20 0 GFADRO CCOC(=O)c1cccc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)n1 ZINC001164912454 721527080 /nfs/dbraw/zinc/52/70/80/721527080.db2.gz ZVLOPKYVSDEKKM-WMZOPIPTSA-N 1 0 385.439 2.739 20 0 GFADRO COc1cnnc(Cl)c1N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164907118 721532425 /nfs/dbraw/zinc/53/24/25/721532425.db2.gz MATONMKOHWALDO-HIFRSBDPSA-N 1 0 378.835 2.620 20 0 GFADRO Fc1cccc(O[C@H]2C[C@@H]3CN(c4nccc(N5CCCCC5)n4)CC[N@@H+]3C2)c1 ZINC001164903388 721543031 /nfs/dbraw/zinc/54/30/31/721543031.db2.gz CHVNIUHJLSPLOI-QUCCMNQESA-N 1 0 397.498 2.948 20 0 GFADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2cc(Cl)nc3ncccc23)CC1 ZINC001165011962 721735631 /nfs/dbraw/zinc/73/56/31/721735631.db2.gz ZMDHIGWBGWBUON-UHFFFAOYSA-N 1 0 387.915 2.806 20 0 GFADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2nc(Cl)cc(C3CC3)n2)CC1 ZINC001165011572 721738359 /nfs/dbraw/zinc/73/83/59/721738359.db2.gz RHXUNWNYJYUUOO-UHFFFAOYSA-N 1 0 377.920 2.530 20 0 GFADRO CCNC(=O)c1ccc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)nc1 ZINC001165027077 721823038 /nfs/dbraw/zinc/82/30/38/721823038.db2.gz RTKKJOQFXORNDH-JBACZVJFSA-N 1 0 393.535 2.963 20 0 GFADRO Cc1cc(C(N)=O)cc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)n1 ZINC001165024510 721830077 /nfs/dbraw/zinc/83/00/77/721830077.db2.gz KJFKXWREQUKXOQ-DBVUQKKJSA-N 1 0 379.508 2.621 20 0 GFADRO C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2c1cc(C(=O)Nc2ccccc2)ccn1 ZINC001164924823 721865225 /nfs/dbraw/zinc/86/52/25/721865225.db2.gz LNSRJHBCAJAGCV-PMACEKPBSA-N 1 0 379.508 2.549 20 0 GFADRO C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2c1ncnc2c(-c3ccccc3)nsc21 ZINC001164929580 721880420 /nfs/dbraw/zinc/88/04/20/721880420.db2.gz BTPSNUVKBQWVHA-SJORKVTESA-N 1 0 394.548 2.968 20 0 GFADRO C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2c1ncnc2c(-c3ccccc3)nsc21 ZINC001164929571 721880630 /nfs/dbraw/zinc/88/06/30/721880630.db2.gz BTPSNUVKBQWVHA-IAGOWNOFSA-N 1 0 394.548 2.968 20 0 GFADRO Cc1ccc(-c2nc3c(ncnc3N3CC[C@@H]4[C@H]3CCN4CC[NH+](C)C)o2)cc1 ZINC001164934406 721880833 /nfs/dbraw/zinc/88/08/33/721880833.db2.gz RLDBESMXYCBYEY-QZTJIDSGSA-N 1 0 392.507 2.808 20 0 GFADRO CN1C(=O)CC[C@@H]2[C@@H]1CCN2C(F)(F)c1cnc(Cl)c(C2=CC[NH2+]CC2)c1 ZINC001164936544 721894457 /nfs/dbraw/zinc/89/44/57/721894457.db2.gz ZGPFURBQOOUNRI-JKSUJKDBSA-N 1 0 396.869 2.856 20 0 GFADRO CCOC(=O)c1c2ccccn2c2ncnc(N(C)CC3CC[NH+](C)CC3)c12 ZINC001165040384 721930554 /nfs/dbraw/zinc/93/05/54/721930554.db2.gz BQNSIWOGWZOIBS-UHFFFAOYSA-N 1 0 381.480 2.837 20 0 GFADRO FC(F)(F)c1nnc(N2CCN(c3ncccc3C[NH+]3CCCC3)CC2)s1 ZINC001165053054 721999756 /nfs/dbraw/zinc/99/97/56/721999756.db2.gz ZVONYSUJJVOXRT-UHFFFAOYSA-N 1 0 398.458 2.874 20 0 GFADRO c1ccc2nc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)ncc2c1 ZINC001164980023 722099544 /nfs/dbraw/zinc/09/95/44/722099544.db2.gz IVSFXCUGPRHOGB-CTNGQTDRSA-N 1 0 375.476 2.752 20 0 GFADRO Fc1cc(Cl)cnc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164975503 722102395 /nfs/dbraw/zinc/10/23/95/722102395.db2.gz CBDMWQCBZKRVTM-QAPCUYQASA-N 1 0 376.863 2.996 20 0 GFADRO Fc1cc(Cl)cnc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164975504 722102435 /nfs/dbraw/zinc/10/24/35/722102435.db2.gz CBDMWQCBZKRVTM-YJBOKZPZSA-N 1 0 376.863 2.996 20 0 GFADRO Fc1cc(Cl)cnc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164975501 722102729 /nfs/dbraw/zinc/10/27/29/722102729.db2.gz CBDMWQCBZKRVTM-CRAIPNDOSA-N 1 0 376.863 2.996 20 0 GFADRO Clc1nc2ccoc2c(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164981530 722104203 /nfs/dbraw/zinc/10/42/03/722104203.db2.gz LPXLNSWLDKLMJG-RDJZCZTQSA-N 1 0 399.882 2.999 20 0 GFADRO Fc1ccc(Cl)nc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164986071 722106436 /nfs/dbraw/zinc/10/64/36/722106436.db2.gz XWVZAZCJCSRGBB-DOTOQJQBSA-N 1 0 376.863 2.996 20 0 GFADRO COc1cc(Cl)cc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164973997 722114168 /nfs/dbraw/zinc/11/41/68/722114168.db2.gz IHBZRTATUULGLV-FUHWJXTLSA-N 1 0 388.899 2.866 20 0 GFADRO c1nc2c(ccnc2N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)s1 ZINC001164977444 722122243 /nfs/dbraw/zinc/12/22/43/722122243.db2.gz NGWLGJCJDXSFEB-DLBZAZTESA-N 1 0 381.505 2.814 20 0 GFADRO Cc1nc(-n2cncn2)cc(N2CCC[C@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)n1 ZINC001164998481 722211192 /nfs/dbraw/zinc/21/11/92/722211192.db2.gz VYLBVIISJGDPMT-NRFANRHFSA-N 1 0 393.470 2.750 20 0 GFADRO CSc1nc(Cl)ncc1N1CCCn2cnc(COCC[NH+](C)C)c2C1 ZINC001165001948 722253410 /nfs/dbraw/zinc/25/34/10/722253410.db2.gz JYPHXOBHZAPYQZ-UHFFFAOYSA-N 1 0 396.948 2.537 20 0 GFADRO C[NH+](C)CCn1ccc(NC(=O)[C@@H]2[C@@H]3Cc4cc(Br)ccc4[C@@H]32)n1 ZINC000630861276 532532320 /nfs/dbraw/zinc/53/23/20/532532320.db2.gz SCBJXAQDPZGZBU-HYVNUMGLSA-N 1 0 389.297 2.732 20 0 GFADRO CC(=O)NC[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc(Br)cc2)C1 ZINC000067413251 205247721 /nfs/dbraw/zinc/24/77/21/205247721.db2.gz KVCCHXDGPHSHKK-AWEZNQCLSA-N 1 0 382.302 2.626 20 0 GFADRO C[C@@H](CCc1ccccc1)NC(=O)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000026955199 206007510 /nfs/dbraw/zinc/00/75/10/206007510.db2.gz OARUJFQTMPTTCR-IBGZPJMESA-N 1 0 393.531 2.905 20 0 GFADRO CCn1ccnc1[C@H]1OCCC[C@@H]1[NH2+][C@H](C)Cn1cc(Br)cn1 ZINC000190432555 206210540 /nfs/dbraw/zinc/21/05/40/206210540.db2.gz BLHDQDSGHLCOHG-SNPRPXQTSA-N 1 0 382.306 2.760 20 0 GFADRO CNC(=O)[C@@]1(C)CC[N@H+](Cc2cc(Cl)ccc2I)C1 ZINC000405043932 563537654 /nfs/dbraw/zinc/53/76/54/563537654.db2.gz QQTGWNFKVDQNSV-AWEZNQCLSA-N 1 0 392.668 2.903 20 0 GFADRO OC[C@H]([NH2+]Cc1c(F)c(F)c(Br)c(F)c1F)[C@@H]1CCCOC1 ZINC000411990141 563643039 /nfs/dbraw/zinc/64/30/39/563643039.db2.gz QTOBXGXQDOSFOM-APPZFPTMSA-N 1 0 386.183 2.883 20 0 GFADRO OC[C@H]([NH2+]Cc1cc(Br)ccc1OC(F)F)[C@@H]1CCCOC1 ZINC000411992734 563643560 /nfs/dbraw/zinc/64/35/60/563643560.db2.gz KEARXGGYVBTEDO-MFKMUULPSA-N 1 0 380.229 2.928 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)c3c(F)cccc3I)C[C@@H]21 ZINC000363651381 563729477 /nfs/dbraw/zinc/72/94/77/563729477.db2.gz KUWFPXBNMFPFOZ-GBIKHYSHSA-N 1 0 388.224 2.630 20 0 GFADRO C[N@H+](CCC(=O)Nc1ccc(Br)cc1F)CC(=O)NC(C)(C)C ZINC000028900276 551124980 /nfs/dbraw/zinc/12/49/80/551124980.db2.gz BTPPRZJKEGUCMG-UHFFFAOYSA-N 1 0 388.281 2.763 20 0 GFADRO Cc1ccc(S(=O)(=O)N2CCC(C[NH+](C)C)CC2)c(Br)c1 ZINC000040692206 551135030 /nfs/dbraw/zinc/13/50/30/551135030.db2.gz GPCOYDZENRSYBJ-UHFFFAOYSA-N 1 0 375.332 2.720 20 0 GFADRO O=S(=O)(NCCCC[NH+]1CCN(c2ccccc2)CC1)c1cccs1 ZINC000041529282 551135722 /nfs/dbraw/zinc/13/57/22/551135722.db2.gz VDJQLBGONVSVAD-UHFFFAOYSA-N 1 0 379.551 2.629 20 0 GFADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)NCc2cc(Br)cs2)C1 ZINC000043821178 551142683 /nfs/dbraw/zinc/14/26/83/551142683.db2.gz KSLRTMURXXHWJR-ZDUSSCGKSA-N 1 0 390.347 2.667 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)N1CCN(Cc2cccs2)CC1)c1ccsc1 ZINC000045658554 551147172 /nfs/dbraw/zinc/14/71/72/551147172.db2.gz GYBLORIDEYFTKI-KRWDZBQOSA-N 1 0 378.567 2.940 20 0 GFADRO CC[NH+](CC)CCN(Cc1cccs1)S(=O)(=O)c1ncn(C)c1Cl ZINC000045797980 551147865 /nfs/dbraw/zinc/14/78/65/551147865.db2.gz ASLMWSIZURJHTC-UHFFFAOYSA-N 1 0 390.962 2.668 20 0 GFADRO COCCC[N@H+](C)[C@H](C)C(=O)Nc1cccc(I)c1 ZINC000066378958 551186823 /nfs/dbraw/zinc/18/68/23/551186823.db2.gz ZMJZDUFVALHAOU-LLVKDONJSA-N 1 0 376.238 2.587 20 0 GFADRO CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccc(C)cc2Br)C1 ZINC000067393815 551188331 /nfs/dbraw/zinc/18/83/31/551188331.db2.gz UUWWPYIMLUZPGQ-ZDUSSCGKSA-N 1 0 382.302 2.544 20 0 GFADRO CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccc(Br)c(C)c2)C1 ZINC000067393868 551188351 /nfs/dbraw/zinc/18/83/51/551188351.db2.gz GCLXTEMXVNXLET-CYBMUJFWSA-N 1 0 382.302 2.544 20 0 GFADRO Cc1ccc(NC(=O)NC[C@@H](O)C[NH+]2CCC(C)CC2)c(Br)c1 ZINC000067487932 551189384 /nfs/dbraw/zinc/18/93/84/551189384.db2.gz XIAUTWBZZYFEPA-CQSZACIVSA-N 1 0 384.318 2.972 20 0 GFADRO C[C@@H](Sc1nncn1C)C(=O)N(CC[NH+](C)C)Cc1cccc(Cl)c1 ZINC000068311938 551191183 /nfs/dbraw/zinc/19/11/83/551191183.db2.gz HXNPTQXGNNPISP-CYBMUJFWSA-N 1 0 381.933 2.540 20 0 GFADRO CC[N@@H+]1CCCC[C@H]1C(=O)NCc1cc(Br)c(OC)c(OC)c1 ZINC000104352863 551198276 /nfs/dbraw/zinc/19/82/76/551198276.db2.gz RPGGAOCRRNCWNS-AWEZNQCLSA-N 1 0 385.302 2.957 20 0 GFADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)N[C@@H]1CCSc2ccc(Cl)cc21 ZINC000106522972 551199880 /nfs/dbraw/zinc/19/98/80/551199880.db2.gz VTEQXFBMQPVQAS-CZUORRHYSA-N 1 0 382.961 2.812 20 0 GFADRO O=C(NCC[NH+]1CCCCC1)c1cc(=O)c2cc(Br)ccc2[nH]1 ZINC000112629647 551206055 /nfs/dbraw/zinc/20/60/55/551206055.db2.gz LGRGRWQANNCDTA-UHFFFAOYSA-N 1 0 378.270 2.506 20 0 GFADRO C[C@H](C(=O)NCCN1CCC([NH+](C)C)CC1)c1ccc(Br)cc1 ZINC000119131759 551215145 /nfs/dbraw/zinc/21/51/45/551215145.db2.gz NYJMLILLYDUEPI-AWEZNQCLSA-N 1 0 382.346 2.695 20 0 GFADRO CC(C)[NH+]1CCC(C(=O)N(C)[C@@H]2CS(=O)(=O)c3ccc(Cl)cc32)CC1 ZINC000119519474 551217342 /nfs/dbraw/zinc/21/73/42/551217342.db2.gz APCVENLQTUDYIA-MRXNPFEDSA-N 1 0 384.929 2.747 20 0 GFADRO C[NH+](C)CCn1ccc(NC(=O)CCOc2ccccc2Br)n1 ZINC000120003101 551219085 /nfs/dbraw/zinc/21/90/85/551219085.db2.gz IEQFIJHMHLLJRT-UHFFFAOYSA-N 1 0 381.274 2.615 20 0 GFADRO CC[NH+](CC)CCC[C@@H](C)NC(=O)CCn1cc(Br)ccc1=O ZINC000120412825 551221098 /nfs/dbraw/zinc/22/10/98/551221098.db2.gz AKXNQCLUBJJGTM-CQSZACIVSA-N 1 0 386.334 2.628 20 0 GFADRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)S(=O)(=O)Cc1ccc(Br)cc1 ZINC000120915217 551222598 /nfs/dbraw/zinc/22/25/98/551222598.db2.gz YYUKMYGXXGSPKL-DOMZBBRYSA-N 1 0 375.332 2.551 20 0 GFADRO Cc1cccc(NC(=O)C(=O)NC[C@H](CC(C)C)[NH+](C)C)c1Br ZINC000120918826 551222838 /nfs/dbraw/zinc/22/28/38/551222838.db2.gz BAAXQHZOFMNCFV-ZDUSSCGKSA-N 1 0 384.318 2.789 20 0 GFADRO CCN1CC[NH+](CCCCNC(=O)c2cccc(C)c2Br)CC1 ZINC000121053554 551226218 /nfs/dbraw/zinc/22/62/18/551226218.db2.gz LEYQQVZDWBPPTH-UHFFFAOYSA-N 1 0 382.346 2.905 20 0 GFADRO CCC[N@H+](C[C@@H](O)CN1CCOCC1)[C@@H](C)c1ccccc1Br ZINC000121252665 551230730 /nfs/dbraw/zinc/23/07/30/551230730.db2.gz JLHRVNYKDFARNM-HOTGVXAUSA-N 1 0 385.346 2.915 20 0 GFADRO O=S(=O)(C1CC1)N1CCC([NH2+]Cc2cc(F)ccc2Br)CC1 ZINC000121661176 551239037 /nfs/dbraw/zinc/23/90/37/551239037.db2.gz ZGDCFCFWGFFGER-UHFFFAOYSA-N 1 0 391.306 2.634 20 0 GFADRO C[C@H](Cc1ccccc1Br)NC(=O)NCC1([NH+](C)C)CCOCC1 ZINC000121676544 551239073 /nfs/dbraw/zinc/23/90/73/551239073.db2.gz IBHPQVMSYLAKOL-CQSZACIVSA-N 1 0 398.345 2.790 20 0 GFADRO CC[S@@](=O)c1ccccc1C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000121875876 551244786 /nfs/dbraw/zinc/24/47/86/551244786.db2.gz AHUCGZDNWAKXPP-VWLOTQADSA-N 1 0 380.579 2.906 20 0 GFADRO COc1ccc(I)c(NC(=O)N[C@@H]2CC[NH2+]C2(C)C)c1 ZINC000415067166 563757571 /nfs/dbraw/zinc/75/75/71/563757571.db2.gz BTVITKLOIYROAT-GFCCVEGCSA-N 1 0 389.237 2.562 20 0 GFADRO CC[NH+](CC)CCN(Cc1cccs1)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000122725561 551301272 /nfs/dbraw/zinc/30/12/72/551301272.db2.gz LHHDCEPJZQEXTF-KRWDZBQOSA-N 1 0 387.615 2.564 20 0 GFADRO CCC(=O)N1CCC[N@H+](C[C@@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000123098528 551303137 /nfs/dbraw/zinc/30/31/37/551303137.db2.gz KQVGMTDMVPCLLY-CQSZACIVSA-N 1 0 375.296 2.677 20 0 GFADRO COc1ccc(C[NH2+][C@H](C)c2ccc(S(N)(=O)=O)cc2)cc1Br ZINC000124422542 551314406 /nfs/dbraw/zinc/31/44/06/551314406.db2.gz OPWJTPOZROXWDI-LLVKDONJSA-N 1 0 399.310 2.956 20 0 GFADRO CN(C(=O)c1cc(I)c(F)cc1F)[C@H]1CCC[N@H+](C)C1 ZINC000124591985 551315703 /nfs/dbraw/zinc/31/57/03/551315703.db2.gz CZIUAJYKGQYMOC-VIFPVBQESA-N 1 0 394.203 2.736 20 0 GFADRO Cc1cccc(C(=O)N2CCCC[C@@H]([NH+]3CCN(C)CC3)C2)c1Br ZINC000125160493 551319920 /nfs/dbraw/zinc/31/99/20/551319920.db2.gz XBJLWWYEVRLJAA-MRXNPFEDSA-N 1 0 394.357 3.000 20 0 GFADRO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]C[C@]1(CCO)CCOC1 ZINC000125758016 551324181 /nfs/dbraw/zinc/32/41/81/551324181.db2.gz AMRBRPHKDAAPTP-DYVFJYSZSA-N 1 0 385.302 2.545 20 0 GFADRO O=C(NC[C@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1)c1ccc(Br)cc1 ZINC000126872302 551333700 /nfs/dbraw/zinc/33/37/00/551333700.db2.gz JLQUBSXSLKEPOH-QZTJIDSGSA-N 1 0 389.293 2.814 20 0 GFADRO C[C@@H](CNC(=O)c1cc(Cl)cc(C(F)(F)F)c1)C[NH+]1CCN(C)CC1 ZINC000127123114 551336894 /nfs/dbraw/zinc/33/68/94/551336894.db2.gz CHMXBORLPPSSKJ-LBPRGKRZSA-N 1 0 377.838 2.972 20 0 GFADRO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@@H](C)CCS(C)(=O)=O ZINC000127133835 551337246 /nfs/dbraw/zinc/33/72/46/551337246.db2.gz ISUVYIRCUZKJQR-NWDGAFQWSA-N 1 0 391.331 2.579 20 0 GFADRO Cc1c(Cl)cccc1S(=O)(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000127451850 551340969 /nfs/dbraw/zinc/34/09/69/551340969.db2.gz NITMCBUIKOMWHL-SJORKVTESA-N 1 0 386.945 2.695 20 0 GFADRO C[NH+](C)CCN1CCC(NC(=O)NCCSc2ccc(Cl)cc2)CC1 ZINC000127651570 551343178 /nfs/dbraw/zinc/34/31/78/551343178.db2.gz NALRPMWPGKGLKH-UHFFFAOYSA-N 1 0 384.977 2.757 20 0 GFADRO O=S1(=O)CCC[C@H]1C[NH2+]Cc1ccc(Br)c(Br)c1 ZINC000129279022 551355288 /nfs/dbraw/zinc/35/52/88/551355288.db2.gz BHWFVMCMPHVUAQ-JTQLQIEISA-N 1 0 397.132 2.878 20 0 GFADRO O=S1(=O)CCC[C@@H]1C[NH2+]Cc1ccc(Br)c(Br)c1 ZINC000129279269 551355543 /nfs/dbraw/zinc/35/55/43/551355543.db2.gz BHWFVMCMPHVUAQ-SNVBAGLBSA-N 1 0 397.132 2.878 20 0 GFADRO C[C@H]1CCC[N@H+](CCCCNC(=O)CS(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000130658297 551367852 /nfs/dbraw/zinc/36/78/52/551367852.db2.gz DHBOLXGPUZRERH-HNNXBMFYSA-N 1 0 386.945 2.742 20 0 GFADRO Cc1ccc(Br)c(NC(=O)C(=O)N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)c1 ZINC000130713436 551368366 /nfs/dbraw/zinc/36/83/66/551368366.db2.gz BTXUARHKIMHEFF-UONOGXRCSA-N 1 0 396.329 2.933 20 0 GFADRO CCn1nc(C)c(C[NH2+]C[C@H](O)COc2ccccc2Br)c1C ZINC000131004973 551371024 /nfs/dbraw/zinc/37/10/24/551371024.db2.gz ANBLYVYASVQMMT-AWEZNQCLSA-N 1 0 382.302 2.812 20 0 GFADRO NC(=O)c1csc(C[NH2+][C@H]2CCN(c3ccc(Br)cc3)C2)c1 ZINC000132129219 551377308 /nfs/dbraw/zinc/37/73/08/551377308.db2.gz BWIBPVTUJCXEJB-ZDUSSCGKSA-N 1 0 380.311 2.978 20 0 GFADRO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CCNC(=O)C(C)(C)C ZINC000133482298 551383281 /nfs/dbraw/zinc/38/32/81/551383281.db2.gz GIYLWHDFEDPWCI-GFCCVEGCSA-N 1 0 384.318 2.918 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)CCn2c(=S)[nH]nc2-c2cccs2)C[N@@H+]1C1CC1 ZINC000133601640 551383797 /nfs/dbraw/zinc/38/37/97/551383797.db2.gz PKOBEGPRKYENTO-VXGBXAGGSA-N 1 0 377.539 2.801 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)CCn2c(=S)[nH]nc2-c2cccs2)C[N@@H+]1C1CC1 ZINC000133601261 551383954 /nfs/dbraw/zinc/38/39/54/551383954.db2.gz PKOBEGPRKYENTO-NEPJUHHUSA-N 1 0 377.539 2.801 20 0 GFADRO CC[N@@H+]1CCC[C@H](CNS(=O)(=O)c2ccc(Br)cc2F)C1 ZINC000134055824 551384873 /nfs/dbraw/zinc/38/48/73/551384873.db2.gz AXGUKMIFFNIULP-LLVKDONJSA-N 1 0 379.295 2.598 20 0 GFADRO C[C@H](Cc1cccc(Br)c1)NC(=O)NCCCC[NH+]1CCOCC1 ZINC000139276982 551392045 /nfs/dbraw/zinc/39/20/45/551392045.db2.gz UOSWATNRYGNNST-OAHLLOKOSA-N 1 0 398.345 2.792 20 0 GFADRO C[C@H](c1ccccc1Br)[N@@H+]1CCC[C@H](CNS(C)(=O)=O)C1 ZINC000139828707 551392713 /nfs/dbraw/zinc/39/27/13/551392713.db2.gz YUNIQLZGQCQGAS-CHWSQXEVSA-N 1 0 375.332 2.771 20 0 GFADRO COCC[NH+]1CCC(NC(=O)N[C@@H](C)Cc2ccc(Br)cc2)CC1 ZINC000140398271 551393158 /nfs/dbraw/zinc/39/31/58/551393158.db2.gz MJGMOCZZTVNYSZ-AWEZNQCLSA-N 1 0 398.345 2.790 20 0 GFADRO COCC[NH+]1CCC(NC(=O)N(C)Cc2cc(Br)cs2)CC1 ZINC000140381814 551393192 /nfs/dbraw/zinc/39/31/92/551393192.db2.gz KYQSGRVDRZSMPC-UHFFFAOYSA-N 1 0 390.347 2.763 20 0 GFADRO COCCNC(=O)[C@H]1CC[C@H](C)[N@H+](CCOc2ccc(Br)cc2)C1 ZINC000144370380 551395798 /nfs/dbraw/zinc/39/57/98/551395798.db2.gz QWFVPGVFZQGFAJ-GJZGRUSLSA-N 1 0 399.329 2.691 20 0 GFADRO C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)c1cccc(Br)c1 ZINC000150840539 551402409 /nfs/dbraw/zinc/40/24/09/551402409.db2.gz IUSMQUJAMDFOMI-UHFFFAOYSA-N 1 0 376.254 2.862 20 0 GFADRO C[C@H]1CCC[N@H+](CCCCNC(=O)c2cc(S(C)(=O)=O)ccc2Cl)C1 ZINC000151164772 551408327 /nfs/dbraw/zinc/40/83/27/551408327.db2.gz KVKHOTSWLVHKFJ-AWEZNQCLSA-N 1 0 386.945 2.985 20 0 GFADRO Cc1cc(C[NH2+]C2CCN(S(=O)(=O)C3CC3)CC2)ccc1Br ZINC000151265903 551410525 /nfs/dbraw/zinc/41/05/25/551410525.db2.gz QCXMTEFZVRZEKC-UHFFFAOYSA-N 1 0 387.343 2.804 20 0 GFADRO CC[NH2+]CCNC(=O)c1cccc(NC(=O)c2ccc(Br)o2)c1 ZINC000151345571 551412035 /nfs/dbraw/zinc/41/20/35/551412035.db2.gz YGLNDWKDUJLAFL-UHFFFAOYSA-N 1 0 380.242 2.634 20 0 GFADRO C[C@H]1Cc2cc(S(=O)(=O)N3CC[C@H](C[NH+]4CCCC4)C3)cc(Cl)c2O1 ZINC000151634331 551418658 /nfs/dbraw/zinc/41/86/58/551418658.db2.gz BOFBKBRKRBWFPB-UONOGXRCSA-N 1 0 384.929 2.770 20 0 GFADRO COC(=O)C(C)(C)C[NH2+][C@H](C)C(=O)N(C)Cc1ccc(Br)cc1 ZINC000151793361 551421332 /nfs/dbraw/zinc/42/13/32/551421332.db2.gz ITMSROYGUKQVOO-GFCCVEGCSA-N 1 0 385.302 2.585 20 0 GFADRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N(C)Cc2cc(Br)cn2C)C1 ZINC000152258406 551429291 /nfs/dbraw/zinc/42/92/91/551429291.db2.gz FZCBVFRVCTWRSH-AWEZNQCLSA-N 1 0 385.350 2.907 20 0 GFADRO C[NH2+]CC1CCN(C(=O)[C@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)CC1 ZINC000152273913 551429573 /nfs/dbraw/zinc/42/95/73/551429573.db2.gz KFCJOPFKWRFEHN-CQSZACIVSA-N 1 0 384.307 2.804 20 0 GFADRO C[NH+]1CCC(CNC(=O)c2c(F)cccc2I)CC1 ZINC000152279226 551429931 /nfs/dbraw/zinc/42/99/31/551429931.db2.gz UCPMMLBBEVHZMZ-UHFFFAOYSA-N 1 0 376.213 2.502 20 0 GFADRO C[NH2+]C[C@@H]1CCN(C(=O)Nc2cc(F)c(I)c(F)c2)C1 ZINC000415127166 563760047 /nfs/dbraw/zinc/76/00/47/563760047.db2.gz VISIKHAGFBGBCD-QMMMGPOBSA-N 1 0 395.191 2.643 20 0 GFADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)Nc1ccc(Cl)cc1Br ZINC000152859683 551441238 /nfs/dbraw/zinc/44/12/38/551441238.db2.gz CNRUJGJZRXBYDE-NSHDSACASA-N 1 0 389.725 2.860 20 0 GFADRO C[C@H](CC(=O)NC[C@H](O)COc1cccc(Cl)c1Cl)C1CC[NH2+]CC1 ZINC000153262968 551449357 /nfs/dbraw/zinc/44/93/57/551449357.db2.gz NIJIDTIWJATHPG-OCCSQVGLSA-N 1 0 389.323 2.875 20 0 GFADRO CN(C(=O)c1cnn(-c2ccc(Br)cc2)c1)[C@H]1CCC[N@H+](C)C1 ZINC000153500466 551454184 /nfs/dbraw/zinc/45/41/84/551454184.db2.gz OSKNJFNTAIBTGY-INIZCTEOSA-N 1 0 377.286 2.801 20 0 GFADRO CC[NH+](CC)[C@H](CNC(=O)C(=O)Nc1cncc(Br)c1)CC(C)C ZINC000153561960 551455457 /nfs/dbraw/zinc/45/54/57/551455457.db2.gz QORIVAQNSBAXCT-HNNXBMFYSA-N 1 0 399.333 2.655 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)Nc1cncc(Br)c1 ZINC000153600088 551456538 /nfs/dbraw/zinc/45/65/38/551456538.db2.gz CLQCACKWIQGWQW-CYBMUJFWSA-N 1 0 397.317 2.553 20 0 GFADRO CC[NH+](CC)CCN(CC(C)C)C(=O)C(=O)Nc1cncc(Br)c1 ZINC000153646241 551457576 /nfs/dbraw/zinc/45/75/76/551457576.db2.gz NJEWBZDQVJIWPS-UHFFFAOYSA-N 1 0 399.333 2.609 20 0 GFADRO CN(CC[NH+]1CCCC1)CC(=O)Nc1c(F)cc(F)cc1Br ZINC000153716980 551459064 /nfs/dbraw/zinc/45/90/64/551459064.db2.gz XCRBDRNPBMAZMB-UHFFFAOYSA-N 1 0 376.245 2.693 20 0 GFADRO CC(C)(C)[NH+]1CCC(NC(=O)CNC(=O)c2ccc(Br)cc2)CC1 ZINC000154016947 551465634 /nfs/dbraw/zinc/46/56/34/551465634.db2.gz GIMBOQQKJQUPJR-UHFFFAOYSA-N 1 0 396.329 2.558 20 0 GFADRO CC(=O)NCc1ccc(-c2nc(NC(=O)[C@@H]3CCC[NH2+]C3)sc2C)s1 ZINC000154310743 551471880 /nfs/dbraw/zinc/47/18/80/551471880.db2.gz UJIRRRAADABWGC-GFCCVEGCSA-N 1 0 378.523 2.754 20 0 GFADRO COc1ccc(C[N@@H+]2CCCN(C(=O)C[C@H]3CSCCS3)CC2)cc1 ZINC000154941902 551486353 /nfs/dbraw/zinc/48/63/53/551486353.db2.gz MVPLRJPZBWOAJF-SFHVURJKSA-N 1 0 380.579 2.968 20 0 GFADRO CC(C)[NH+]1CCN(C(=O)Nc2cc(Br)cnc2-n2cccn2)CC1 ZINC000154975638 551487737 /nfs/dbraw/zinc/48/77/37/551487737.db2.gz NVOCXDOAPAUJIG-UHFFFAOYSA-N 1 0 393.289 2.588 20 0 GFADRO CC[NH+]1CCC(N(C)S(=O)(=O)c2cccc(C)c2Br)CC1 ZINC000155217803 551494656 /nfs/dbraw/zinc/49/46/56/551494656.db2.gz JYXYIRSHGVENNH-UHFFFAOYSA-N 1 0 375.332 2.862 20 0 GFADRO Cc1ccc(C(=O)NCCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c(Br)n1 ZINC000155461226 551500207 /nfs/dbraw/zinc/50/02/07/551500207.db2.gz ITLUSOKKALWFOK-OKILXGFUSA-N 1 0 384.318 2.772 20 0 GFADRO CSC[C@](C)(O)CNC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000155629672 551504639 /nfs/dbraw/zinc/50/46/39/551504639.db2.gz RTCNPQPXBFVZPB-GOSISDBHSA-N 1 0 385.961 2.718 20 0 GFADRO CC[C@H](C)[C@H]([NH3+])C(=O)NC1CCN(Cc2ccc(Br)cc2)CC1 ZINC000155772119 551507605 /nfs/dbraw/zinc/50/76/05/551507605.db2.gz KXMAWTGMCJWVPY-GUYCJALGSA-N 1 0 382.346 2.903 20 0 GFADRO C[C@H]1C[C@H](NC(=O)c2c(F)cccc2I)C[N@@H+]1C1CC1 ZINC000155863438 551509840 /nfs/dbraw/zinc/50/98/40/551509840.db2.gz VOSVFEDYIMANGQ-UWVGGRQHSA-N 1 0 388.224 2.785 20 0 GFADRO COC(=O)CC1([NH2+]Cc2cc(Br)cc3c2OCC3)CCOCC1 ZINC000156176571 551516512 /nfs/dbraw/zinc/51/65/12/551516512.db2.gz YUAMKTPRYHPKTB-UHFFFAOYSA-N 1 0 384.270 2.586 20 0 GFADRO Cn1cc(NC(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)cc(Br)c1=O ZINC000156201151 551517019 /nfs/dbraw/zinc/51/70/19/551517019.db2.gz DMJZYRLGMNMJCT-ZDUSSCGKSA-N 1 0 397.317 2.534 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)c2ccc(S(=O)(=O)c3ccccc3)s2)C1 ZINC000156187233 551517130 /nfs/dbraw/zinc/51/71/30/551517130.db2.gz ARSUEQVCYUCOKN-KGLIPLIRSA-N 1 0 378.519 2.780 20 0 GFADRO COCC[N@@H+]1CCC[C@H]1CNS(=O)(=O)Cc1cc(Cl)cc(Cl)c1 ZINC000156759120 551528214 /nfs/dbraw/zinc/52/82/14/551528214.db2.gz UYGHUXHXCMHZGP-HNNXBMFYSA-N 1 0 381.325 2.524 20 0 GFADRO Cc1c(I)cccc1C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000156816944 551528664 /nfs/dbraw/zinc/52/86/64/551528664.db2.gz KYZPVBCSAKXWRI-CYBMUJFWSA-N 1 0 384.261 2.814 20 0 GFADRO OC[C@@H]1CCC[N@H+](CCCOc2cccc(I)c2)C1 ZINC000157154331 551533749 /nfs/dbraw/zinc/53/37/49/551533749.db2.gz AEHFEZGVVPXSEG-CYBMUJFWSA-N 1 0 375.250 2.764 20 0 GFADRO CC[NH+](CC)CCNC(=O)NCc1cc(Br)c(OC)c(OC)c1 ZINC000157197467 551534732 /nfs/dbraw/zinc/53/47/32/551534732.db2.gz AJAHYPXGAWPBDD-UHFFFAOYSA-N 1 0 388.306 2.607 20 0 GFADRO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]C[C@](C)(O)c2ccccc2Cl)cc1 ZINC000157557418 551539327 /nfs/dbraw/zinc/53/93/27/551539327.db2.gz VQIGRFVJJCUBOS-ACJLOTCBSA-N 1 0 382.913 2.806 20 0 GFADRO C[C@H](CNC(=O)C[NH2+]C[C@@H]1CCCO1)Sc1ccc(Br)cc1 ZINC000157560989 551539486 /nfs/dbraw/zinc/53/94/86/551539486.db2.gz DNCLMJFQMMDTBF-OCCSQVGLSA-N 1 0 387.343 2.815 20 0 GFADRO C[C@H](SCC[NH+](C)C)C(=O)Nc1ccc(I)cc1 ZINC000157742364 551542307 /nfs/dbraw/zinc/54/23/07/551542307.db2.gz JYYCRSJCPGAPBS-JTQLQIEISA-N 1 0 378.279 2.913 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H](NC(=O)Nc2ccc(F)cc2I)C1 ZINC000415250090 563763573 /nfs/dbraw/zinc/76/35/73/563763573.db2.gz KXQMPSMHWOAVPG-NXEZZACHSA-N 1 0 377.201 2.822 20 0 GFADRO O=C(C[C@@H]1C[NH2+]CCO1)Nc1nc(-c2cc(Br)cs2)cs1 ZINC000158373680 551551352 /nfs/dbraw/zinc/55/13/52/551551352.db2.gz NTZYZRKSUOJZFK-SECBINFHSA-N 1 0 388.312 2.951 20 0 GFADRO CC(C)[NH+]1CCC(NC(=O)CSc2nnc(Cc3cccs3)o2)CC1 ZINC000158812108 551557248 /nfs/dbraw/zinc/55/72/48/551557248.db2.gz YUOSMTYCLUIPEE-UHFFFAOYSA-N 1 0 380.539 2.803 20 0 GFADRO CC(C)[NH+]1CCC(NC(=O)Cc2cccc(I)c2)CC1 ZINC000159314198 551563579 /nfs/dbraw/zinc/56/35/79/551563579.db2.gz RJIGDOIQCNMNQU-UHFFFAOYSA-N 1 0 386.277 2.823 20 0 GFADRO CS(=O)(=O)c1cc(C(=O)Nc2cccc(C[NH+]3CCSCC3)c2)cs1 ZINC000161749017 551598423 /nfs/dbraw/zinc/59/84/23/551598423.db2.gz GGXCDVFHDSKFHJ-UHFFFAOYSA-N 1 0 396.559 2.953 20 0 GFADRO CC(C)[C@@H](CCO)[NH2+][C@@H](C)C(=O)Nc1ccc(I)cc1 ZINC000161743964 551598567 /nfs/dbraw/zinc/59/85/67/551598567.db2.gz RIHDKXNXNULPDN-SMDDNHRTSA-N 1 0 390.265 2.615 20 0 GFADRO C[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)Nc1cc(F)ccc1Br ZINC000162640288 551611023 /nfs/dbraw/zinc/61/10/23/551611023.db2.gz ZMLDROSFZPIXDS-NSHDSACASA-N 1 0 386.265 2.517 20 0 GFADRO CCCC[C@@H](C[NH3+])NC(=O)[C@H](NC(=O)c1ccccc1Br)C(C)C ZINC000162782967 551612514 /nfs/dbraw/zinc/61/25/14/551612514.db2.gz HPIZSXBSIHGGHK-XJKSGUPXSA-N 1 0 398.345 2.837 20 0 GFADRO CC[S@@](=O)[C@H]1CCC[C@H]([NH2+][C@@H](C)c2ccc(S(C)(=O)=O)c(OC)c2)C1 ZINC000162907828 551614082 /nfs/dbraw/zinc/61/40/82/551614082.db2.gz CUNPGZUGKJIKSJ-JOHUVYEKSA-N 1 0 387.567 2.829 20 0 GFADRO O=S(=O)(C1CC1)N1CCC([NH2+]Cc2ccc(F)c(C(F)(F)F)c2)CC1 ZINC000163157618 551617104 /nfs/dbraw/zinc/61/71/04/551617104.db2.gz UKNLUOLGKXKGPI-UHFFFAOYSA-N 1 0 380.407 2.891 20 0 GFADRO C[C@H](Cn1cc(Br)cn1)[NH2+]CCc1cccc(C(=O)N(C)C)c1 ZINC000165127406 551628777 /nfs/dbraw/zinc/62/87/77/551628777.db2.gz AMIOEVHPAHKCAO-CYBMUJFWSA-N 1 0 379.302 2.568 20 0 GFADRO C[C@@H]1C[N@H+](C[C@H](O)COc2ccc(Cl)cc2Br)CCCO1 ZINC000170764149 551639268 /nfs/dbraw/zinc/63/92/68/551639268.db2.gz YWXYBHJCNSXLSL-YPMHNXCESA-N 1 0 378.694 2.953 20 0 GFADRO CC[NH+](CC)CC(=O)Nc1cc(-c2ccc(Br)cc2)nn1CCO ZINC000170771567 551639318 /nfs/dbraw/zinc/63/93/18/551639318.db2.gz XEQXOVNBGDYCFV-UHFFFAOYSA-N 1 0 395.301 2.585 20 0 GFADRO COCCC[NH+]1CCC(NC(=O)CCc2ccccc2Br)CC1 ZINC000171123397 551647776 /nfs/dbraw/zinc/64/77/76/551647776.db2.gz QFDYHNIDNLODGH-UHFFFAOYSA-N 1 0 383.330 2.999 20 0 GFADRO CC[NH+]1CCN(CCC(=O)N[C@H](C)c2ccc(OC)c(Br)c2)CC1 ZINC000171237443 551651039 /nfs/dbraw/zinc/65/10/39/551651039.db2.gz APVDGUPDQJOESR-CQSZACIVSA-N 1 0 398.345 2.663 20 0 GFADRO C[C@@H]1C[N@@H+](CC2CCN(C(=O)c3cc(Br)cn3C)CC2)C[C@H](C)O1 ZINC000171283385 551652242 /nfs/dbraw/zinc/65/22/42/551652242.db2.gz NGZUOFXAFXQMDA-OKILXGFUSA-N 1 0 398.345 2.749 20 0 GFADRO O=C(Nc1cc(Cl)cc(Cl)c1)[C@H]1CCC[N@H+]1C[C@@H](O)Cn1cccn1 ZINC000171637489 551659892 /nfs/dbraw/zinc/65/98/92/551659892.db2.gz JZEJILGTWCQXHI-HZPDHXFCSA-N 1 0 383.279 2.654 20 0 GFADRO O=C(CC[N@@H+]1CCC[C@@H](C2OCCO2)C1)Nc1ccccc1Br ZINC000171668766 551660819 /nfs/dbraw/zinc/66/08/19/551660819.db2.gz BUJXMNJGPYGHCF-CYBMUJFWSA-N 1 0 383.286 2.863 20 0 GFADRO CCc1nn(C)c(Cl)c1CN[C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000172063840 551669401 /nfs/dbraw/zinc/66/94/01/551669401.db2.gz DDMBKVHZAKLCQK-LBPRGKRZSA-N 1 0 384.933 2.737 20 0 GFADRO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NCCOc1cccc(Br)c1 ZINC000172650008 551683958 /nfs/dbraw/zinc/68/39/58/551683958.db2.gz GCAMDERIWSITHI-KRWDZBQOSA-N 1 0 399.329 2.737 20 0 GFADRO COCC[NH+]1CCC(N[C@H](C)C(=O)Nc2ccc(C)cc2Br)CC1 ZINC000172807114 551686806 /nfs/dbraw/zinc/68/68/06/551686806.db2.gz XIJWUMWYCMSVCZ-CQSZACIVSA-N 1 0 398.345 2.785 20 0 GFADRO CN(C)c1ncc(Br)cc1C(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000172843871 551687672 /nfs/dbraw/zinc/68/76/72/551687672.db2.gz VNXHHCBDBPMXJG-AWEZNQCLSA-N 1 0 383.334 2.857 20 0 GFADRO CCCN(C(=O)C(=O)Nc1cccc(Cl)c1Br)[C@@H]1CC[NH2+]C1 ZINC000415389625 563771854 /nfs/dbraw/zinc/77/18/54/563771854.db2.gz GKJNKTZRRODAEU-SNVBAGLBSA-N 1 0 388.693 2.642 20 0 GFADRO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)Nc1ccc(Br)c(Cl)c1 ZINC000415434857 563775625 /nfs/dbraw/zinc/77/56/25/563775625.db2.gz WQPQHQMTEIVTEW-JTQLQIEISA-N 1 0 376.682 2.531 20 0 GFADRO C[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)Nc1nc(-c2cccs2)cs1 ZINC000173223401 552080111 /nfs/dbraw/zinc/08/01/11/552080111.db2.gz DIHZDRDAXGWOCY-LBPRGKRZSA-N 1 0 378.523 2.801 20 0 GFADRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)S(=O)(=O)c1ccc(Br)c(F)c1 ZINC000173248345 552081105 /nfs/dbraw/zinc/08/11/05/552081105.db2.gz GRRSWBAMUMKAGY-HZMBPMFUSA-N 1 0 379.295 2.549 20 0 GFADRO C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC000173307354 552082874 /nfs/dbraw/zinc/08/28/74/552082874.db2.gz RMJLOJKKVIUZPQ-HNNXBMFYSA-N 1 0 394.357 2.996 20 0 GFADRO CC[C@](C)([NH2+]CCOc1ccc(S(=O)(=O)N(C)C)cc1)c1nccs1 ZINC000173506885 552087102 /nfs/dbraw/zinc/08/71/02/552087102.db2.gz KQJUQDRLJUIAMQ-KRWDZBQOSA-N 1 0 383.539 2.687 20 0 GFADRO CC[NH+](CC)C[C@@H]1CCN(C(=O)c2cc3c(c(Br)c2)OCO3)C1 ZINC000173586570 552088968 /nfs/dbraw/zinc/08/89/68/552088968.db2.gz YNHSMEYTARYBTR-LBPRGKRZSA-N 1 0 383.286 2.982 20 0 GFADRO COCCC[N@H+](C)CCNC(=O)c1sc(C)c(Br)c1OC ZINC000173810755 552092698 /nfs/dbraw/zinc/09/26/98/552092698.db2.gz RPJQWCSKUMPGRP-UHFFFAOYSA-N 1 0 379.320 2.526 20 0 GFADRO CC[NH+](CC)[C@H]1CCN(C(=O)c2ccc(I)c(F)c2)C1 ZINC000174146188 552100807 /nfs/dbraw/zinc/10/08/07/552100807.db2.gz NONXUJAJGHFZPL-LBPRGKRZSA-N 1 0 390.240 2.987 20 0 GFADRO C[C@H]1C[NH+](CC2CCN(C(=O)c3ccc(Br)nc3)CC2)C[C@H](C)O1 ZINC000174168731 552101369 /nfs/dbraw/zinc/10/13/69/552101369.db2.gz DICNSQAVUPOLRE-KBPBESRZSA-N 1 0 396.329 2.806 20 0 GFADRO CCC[N@H+](CC)CCNC(=O)c1ccc(F)cc1I ZINC000174653274 552107635 /nfs/dbraw/zinc/10/76/35/552107635.db2.gz PBJQEVZHQQGOFV-UHFFFAOYSA-N 1 0 378.229 2.892 20 0 GFADRO CCN1CC[NH+](C[C@H](C)CNC(=O)NCc2ccc(Br)cc2)CC1 ZINC000174781414 552109687 /nfs/dbraw/zinc/10/96/87/552109687.db2.gz GDBQFMCFBDQNHB-OAHLLOKOSA-N 1 0 397.361 2.522 20 0 GFADRO O=C(Nc1nnc(C(F)F)s1)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000174794784 552110442 /nfs/dbraw/zinc/11/04/42/552110442.db2.gz GRSZXEXXEJLKRZ-UHFFFAOYSA-N 1 0 375.445 2.584 20 0 GFADRO Cc1ccc(S(=O)(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)c(Br)c1 ZINC000175075933 552115119 /nfs/dbraw/zinc/11/51/19/552115119.db2.gz HLAZSKKMGRXZDW-CHWSQXEVSA-N 1 0 375.332 2.909 20 0 GFADRO Cc1ccc(NC(=O)NCCN2CCC([NH+](C)C)CC2)c(Br)c1 ZINC000175082542 552115167 /nfs/dbraw/zinc/11/51/67/552115167.db2.gz NIOVBKWNYUMFQC-UHFFFAOYSA-N 1 0 383.334 2.905 20 0 GFADRO COc1cc(S(=O)(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)ccc1Br ZINC000175092729 552115614 /nfs/dbraw/zinc/11/56/14/552115614.db2.gz MUBNNNZWCXKFTO-NEPJUHHUSA-N 1 0 391.331 2.609 20 0 GFADRO C[C@@H](C(=O)Nc1cccc(Br)c1)N1CC[NH+](C2CCOCC2)CC1 ZINC000175499331 552123398 /nfs/dbraw/zinc/12/33/98/552123398.db2.gz YGWWTSFOKFBNBO-AWEZNQCLSA-N 1 0 396.329 2.573 20 0 GFADRO C[C@@H](CNC(=O)NCC1CC[NH+](C)CC1)Oc1ccccc1Br ZINC000175734080 552128017 /nfs/dbraw/zinc/12/80/17/552128017.db2.gz FKGJQBCHRHCEAJ-ZDUSSCGKSA-N 1 0 384.318 2.857 20 0 GFADRO CN1CC[NH+]([C@@H]2CCCCN(C(=O)Cc3cccc(Br)c3)C2)CC1 ZINC000176003919 552134408 /nfs/dbraw/zinc/13/44/08/552134408.db2.gz ZXBIXXRVKOFHRI-GOSISDBHSA-N 1 0 394.357 2.620 20 0 GFADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NCCc1nc(C(F)(F)F)cs1 ZINC000176564842 552141983 /nfs/dbraw/zinc/14/19/83/552141983.db2.gz UGPYRQKAWAORPF-NEPJUHHUSA-N 1 0 376.448 2.973 20 0 GFADRO C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)N(C)Cc1cnccn1 ZINC000177240482 552152371 /nfs/dbraw/zinc/15/23/71/552152371.db2.gz RNGSMXOHMWVTAQ-ZDUSSCGKSA-N 1 0 377.286 2.718 20 0 GFADRO CN1CCC([NH2+]CC(C)(C)S(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000177350804 552153932 /nfs/dbraw/zinc/15/39/32/552153932.db2.gz QKQCYYYJKIIFQH-UHFFFAOYSA-N 1 0 389.359 2.685 20 0 GFADRO COCCC[N@H+](C)CCNC(=O)N1CCc2cc(Br)cc(F)c21 ZINC000177879327 552160612 /nfs/dbraw/zinc/16/06/12/552160612.db2.gz CKTRWSYUZISZFX-UHFFFAOYSA-N 1 0 388.281 2.629 20 0 GFADRO Cc1c(Br)cccc1NC(=O)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000178029302 552162526 /nfs/dbraw/zinc/16/25/26/552162526.db2.gz NPUCBULRPBUZKE-QWHCGFSZSA-N 1 0 382.302 2.685 20 0 GFADRO O=C(NCC1(c2cccc(Br)c2)CCOCC1)[C@@H]1CCCC[NH2+]1 ZINC000178042217 552163410 /nfs/dbraw/zinc/16/34/10/552163410.db2.gz PKCHWSYANXWFGY-INIZCTEOSA-N 1 0 381.314 2.756 20 0 GFADRO CC(C)(C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1)c1cccc(Br)c1 ZINC000178117515 552164704 /nfs/dbraw/zinc/16/47/04/552164704.db2.gz DTTAQCKETWSNIK-OAHLLOKOSA-N 1 0 395.341 2.907 20 0 GFADRO CC[NH+]1CCC(CCNC(=O)N[C@H](CO)c2cccc(Br)c2)CC1 ZINC000178161437 552165821 /nfs/dbraw/zinc/16/58/21/552165821.db2.gz VZNUPTXPPPVHMR-QGZVFWFLSA-N 1 0 398.345 2.904 20 0 GFADRO C[C@H]([NH3+])c1ccc(NC(=O)c2sccc2S(=O)(=O)N2CCCC2)cc1 ZINC000178195470 552167063 /nfs/dbraw/zinc/16/70/63/552167063.db2.gz ZDRPCTIYGIDMGA-LBPRGKRZSA-N 1 0 379.507 2.805 20 0 GFADRO CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(OC)c(I)c2)C1 ZINC000178229920 552167482 /nfs/dbraw/zinc/16/74/82/552167482.db2.gz DDPAQUZZQJCSPX-LBPRGKRZSA-N 1 0 388.249 2.514 20 0 GFADRO C[C@@H]1C[N@@H+](C2CCN(C(=O)Cc3cc(F)ccc3Br)CC2)CCO1 ZINC000178340594 552169166 /nfs/dbraw/zinc/16/91/66/552169166.db2.gz NWAWZFUXUWKMJF-CYBMUJFWSA-N 1 0 399.304 2.842 20 0 GFADRO [NH3+][C@H]1CCCCCC[C@@H]1C(=O)NCC(=O)Nc1ccc(Br)cc1 ZINC000178436091 552170222 /nfs/dbraw/zinc/17/02/22/552170222.db2.gz PQGZBRTWXVUHJP-GJZGRUSLSA-N 1 0 382.302 2.802 20 0 GFADRO [NH3+]C[C@@H]1CCN(C(=O)c2cccc(NC(=O)c3ccc(Br)o3)c2)C1 ZINC000178528012 552172111 /nfs/dbraw/zinc/17/21/11/552172111.db2.gz CJLSNHJCZJRYNJ-NSHDSACASA-N 1 0 392.253 2.715 20 0 GFADRO C[C@@H]([NH3+])C1CCN(C(=O)c2cc(F)c(F)cc2I)CC1 ZINC000178817409 552175861 /nfs/dbraw/zinc/17/58/61/552175861.db2.gz MSHJXIRVYIDLBF-MRVPVSSYSA-N 1 0 394.203 2.769 20 0 GFADRO C[C@H]([NH3+])C1CCN(C(=O)c2cnn(-c3cccc(Br)c3)c2)CC1 ZINC000178815570 552176020 /nfs/dbraw/zinc/17/60/20/552176020.db2.gz UALABYKNVOYUFM-LBPRGKRZSA-N 1 0 377.286 2.834 20 0 GFADRO C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)C[C@@H]2CCC[NH2+]2)CC1 ZINC000178821881 552176737 /nfs/dbraw/zinc/17/67/37/552176737.db2.gz AAOLUSKZLWSABU-PBHICJAKSA-N 1 0 380.330 2.796 20 0 GFADRO CCCN(C(=O)c1ccc(F)cc1I)[C@@H]1CC[NH2+]C1 ZINC000178932318 552179845 /nfs/dbraw/zinc/17/98/45/552179845.db2.gz VRYSXRGDEZISML-LLVKDONJSA-N 1 0 376.213 2.644 20 0 GFADRO O=C(NCC[C@@H]1CC[NH2+]C1)[C@@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1 ZINC000178955966 552180175 /nfs/dbraw/zinc/18/01/75/552180175.db2.gz GGJWMRXEDFLRLO-LRDDRELGSA-N 1 0 384.307 2.714 20 0 GFADRO C[NH2+]C[C@H]1CCN(C(=O)c2cnn(-c3cccc(Br)c3)c2C)C1 ZINC000178983543 552181418 /nfs/dbraw/zinc/18/14/18/552181418.db2.gz KCOURPTZVWZCQD-CYBMUJFWSA-N 1 0 377.286 2.625 20 0 GFADRO CN(C[C@@H]1COc2ccccc2O1)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000179224155 552187134 /nfs/dbraw/zinc/18/71/34/552187134.db2.gz MUPLTIVTCNSLIU-PBHICJAKSA-N 1 0 391.265 2.747 20 0 GFADRO NC(=O)[C@@H](NCc1ccc2c(c1)OCCO2)c1cccc(Br)c1 ZINC000179214622 552187341 /nfs/dbraw/zinc/18/73/41/552187341.db2.gz QROMUMRGPAERTB-INIZCTEOSA-N 1 0 377.238 2.537 20 0 GFADRO Cc1ccc(C(=O)NC2CC[NH+](Cc3cccnc3)CC2)c(Br)n1 ZINC000179331490 552189908 /nfs/dbraw/zinc/18/99/08/552189908.db2.gz YTJLMTJXSZKOMO-UHFFFAOYSA-N 1 0 389.297 2.942 20 0 GFADRO CCCN(C(=O)[C@@H](C)[NH2+][C@@H](C)c1cc(C)sc1C)[C@H]1CCS(=O)(=O)C1 ZINC000179374549 552191349 /nfs/dbraw/zinc/19/13/49/552191349.db2.gz NCOPPNRAMVEKMX-LZWOXQAQSA-N 1 0 386.583 2.830 20 0 GFADRO C[C@H](Cn1cc(Br)cn1)[NH2+][C@@H]1CCCN(c2ccccc2F)C1=O ZINC000179498649 552194945 /nfs/dbraw/zinc/19/49/45/552194945.db2.gz OIRUGNHRPXYCAT-IUODEOHRSA-N 1 0 395.276 2.958 20 0 GFADRO CC[C@@](C)(COc1ncccc1Cl)[NH2+]C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000179626529 552198427 /nfs/dbraw/zinc/19/84/27/552198427.db2.gz QUFLKBBVSFGNHY-YOEHRIQHSA-N 1 0 389.949 2.544 20 0 GFADRO O=C(C[C@H](O)c1cc(Cl)cc(Cl)c1)N1CC[NH+](C2CCOCC2)CC1 ZINC000180122687 552213989 /nfs/dbraw/zinc/21/39/89/552213989.db2.gz AEFFYVIKWNGFKV-KRWDZBQOSA-N 1 0 387.307 2.740 20 0 GFADRO O=C(C[C@@H](O)c1cc(Cl)cc(Cl)c1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000180131335 552214150 /nfs/dbraw/zinc/21/41/50/552214150.db2.gz INLSOKNBFXTQII-SUMWQHHRSA-N 1 0 387.307 2.598 20 0 GFADRO Cc1nc(C(C)C)sc1[C@H](C)[NH2+]CCS(=O)(=O)NC[C@@H]1CCCCO1 ZINC000180746113 552234324 /nfs/dbraw/zinc/23/43/24/552234324.db2.gz CCLVGFYCAPNPNN-ZFWWWQNUSA-N 1 0 389.587 2.714 20 0 GFADRO C[C@H]1C[C@H]([NH2+]CCS(=O)(=O)NC[C@H]2CCCCO2)c2ccsc2S1 ZINC000180749075 552235159 /nfs/dbraw/zinc/23/51/59/552235159.db2.gz SRJWPDOSJDMSGK-GUTXKFCHSA-N 1 0 390.596 2.752 20 0 GFADRO C[C@]1(C(=O)N2CCN(C(=O)c3cc(Cl)cc(Cl)c3)CC2)CCCC[NH2+]1 ZINC000180912700 552240059 /nfs/dbraw/zinc/24/00/59/552240059.db2.gz KMHAYPHTUKFGTN-GOSISDBHSA-N 1 0 384.307 2.810 20 0 GFADRO C[C@H]([NH2+][C@H]1CC(=O)N(CCN2CCOCC2)C1)c1ccc(Cl)c(Cl)c1 ZINC000181038269 552243902 /nfs/dbraw/zinc/24/39/02/552243902.db2.gz HUXGXURINAIPDZ-ZFWWWQNUSA-N 1 0 386.323 2.577 20 0 GFADRO C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@H]1CC(=O)N(C2CC2)C1 ZINC000181218910 552250100 /nfs/dbraw/zinc/25/01/00/552250100.db2.gz UECXJLJGPXRBFU-FZMZJTMJSA-N 1 0 380.286 2.519 20 0 GFADRO COCc1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1ccc(F)c(Br)c1)CC2 ZINC000181300191 552253128 /nfs/dbraw/zinc/25/31/28/552253128.db2.gz UWBUHOAEXDDNMO-PWSUYJOCSA-N 1 0 383.265 2.992 20 0 GFADRO COc1ccc([C@@H](C)[NH2+]CCNS(=O)(=O)c2ccc(C)s2)cc1OC ZINC000181509683 552258898 /nfs/dbraw/zinc/25/88/98/552258898.db2.gz TVQXXNSKUREDKX-CYBMUJFWSA-N 1 0 384.523 2.703 20 0 GFADRO C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CC1(CO)CCOCC1 ZINC000181566385 552261347 /nfs/dbraw/zinc/26/13/47/552261347.db2.gz KSAIDMGSKFLJJX-ZDUSSCGKSA-N 1 0 385.302 2.545 20 0 GFADRO C[C@@H]([NH2+]C[C@H]1CCCN1S(C)(=O)=O)c1ccc(F)cc1Br ZINC000181693241 552265343 /nfs/dbraw/zinc/26/53/43/552265343.db2.gz SDJVGLRWHBJVKU-ZYHUDNBSSA-N 1 0 379.295 2.663 20 0 GFADRO Cc1cc(S(=O)(=O)NCC[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)c(C)s1 ZINC000182043284 552273762 /nfs/dbraw/zinc/27/37/62/552273762.db2.gz KSPPIHSRIJJRAE-OIISXLGYSA-N 1 0 384.567 2.581 20 0 GFADRO CCO[C@@H]1C[C@H]([NH2+]C[C@H](O)CS(=O)(=O)c2cccs2)C12CCCCC2 ZINC000182062429 552274429 /nfs/dbraw/zinc/27/44/29/552274429.db2.gz DLGQHPFZSBNSRQ-HRCADAONSA-N 1 0 387.567 2.600 20 0 GFADRO O=S(=O)(NC1CC[NH+](C2CCCC2)CC1)c1ccc(C(F)(F)F)nc1 ZINC000182096691 552275167 /nfs/dbraw/zinc/27/51/67/552275167.db2.gz RICUKZDERVWEJL-UHFFFAOYSA-N 1 0 377.432 2.786 20 0 GFADRO CCOC(=O)c1ccc(C[NH2+]CCNC(=O)c2cccc(Br)c2)o1 ZINC000182206076 552278425 /nfs/dbraw/zinc/27/84/25/552278425.db2.gz RVYBTYIRGSRXJI-UHFFFAOYSA-N 1 0 395.253 2.738 20 0 GFADRO CN1CC[NH+]([C@@H]2CCCCN(CCOc3ccccc3Br)C2)CC1 ZINC000182903693 552295839 /nfs/dbraw/zinc/29/58/39/552295839.db2.gz MZKKKVSMRSNNPV-QGZVFWFLSA-N 1 0 396.373 2.930 20 0 GFADRO CC[C@H](C)[C@@H](C)[NH2+]CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000183087812 552299697 /nfs/dbraw/zinc/29/96/97/552299697.db2.gz OTXULIMTFOAZBE-NWDGAFQWSA-N 1 0 375.922 2.553 20 0 GFADRO C[NH+](C)CCCNC(=O)CSc1nnc(-c2ccc(Br)cc2)o1 ZINC000183111846 552300539 /nfs/dbraw/zinc/30/05/39/552300539.db2.gz VDDUHSQOGKHKCL-UHFFFAOYSA-N 1 0 399.314 2.659 20 0 GFADRO C[NH+](C)CCOc1cc(C(=O)NCc2ccccc2Br)ccn1 ZINC000183108920 552300606 /nfs/dbraw/zinc/30/06/06/552300606.db2.gz FTTHSACQWUVNDF-UHFFFAOYSA-N 1 0 378.270 2.715 20 0 GFADRO C[C@H](O)[C@@H]1CC[N@H+](C[C@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000183222061 552303413 /nfs/dbraw/zinc/30/34/13/552303413.db2.gz GJONQJGIXKNRAO-LOWVWBTDSA-N 1 0 378.694 2.545 20 0 GFADRO C[C@H](C[NH2+][C@@H](C)CS(=O)(=O)c1ccccc1)N1CCc2sccc2C1 ZINC000183259264 552304485 /nfs/dbraw/zinc/30/44/85/552304485.db2.gz IZRLXISFWROOIO-JKSUJKDBSA-N 1 0 378.563 2.947 20 0 GFADRO Cc1c([C@H](C)[NH2+]CC(=O)Nc2ccccc2I)cnn1C ZINC000183362424 552307473 /nfs/dbraw/zinc/30/74/73/552307473.db2.gz INOPDSBUHBACGY-JTQLQIEISA-N 1 0 398.248 2.622 20 0 GFADRO CCS(=O)(=O)C[C@H](C)[NH2+]CCCOc1ncc(C(F)(F)F)cc1Cl ZINC000183397794 552307933 /nfs/dbraw/zinc/30/79/33/552307933.db2.gz FXNCIYDXLDCGEB-JTQLQIEISA-N 1 0 388.839 2.936 20 0 GFADRO CN(C)C(=O)[C@@H]1CC[C@@H](C[NH2+][C@@H]2CCCOc3ccc(Br)cc32)O1 ZINC000183469460 552310236 /nfs/dbraw/zinc/31/02/36/552310236.db2.gz ASELNFLFASXGSW-LXZKKBNFSA-N 1 0 397.313 2.888 20 0 GFADRO NC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(NCc2cncc(Br)c2)c1 ZINC000183739357 552318203 /nfs/dbraw/zinc/31/82/03/552318203.db2.gz CCHVWKGFAFNJFF-KRWDZBQOSA-N 1 0 389.297 2.906 20 0 GFADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)c1cc2c(cccc2Br)[nH]1 ZINC000184072276 552326910 /nfs/dbraw/zinc/32/69/10/552326910.db2.gz QBKMHARHUZONLY-ZDUSSCGKSA-N 1 0 393.329 2.686 20 0 GFADRO C[C@@H](C(=O)N[C@@H](C)CC[NH+]1CCN(C)CC1)c1ccc(Br)cc1 ZINC000184395790 552334833 /nfs/dbraw/zinc/33/48/33/552334833.db2.gz YTYBDOMERSJLIU-LSDHHAIUSA-N 1 0 382.346 2.695 20 0 GFADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)c2csc(Br)c2C)CC1 ZINC000185051771 552352530 /nfs/dbraw/zinc/35/25/30/552352530.db2.gz IZZSQXINAUPTAQ-LBPRGKRZSA-N 1 0 388.375 2.822 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@@H](NS(=O)(=O)c2ccc(Br)cc2F)C1 ZINC000185062629 552352963 /nfs/dbraw/zinc/35/29/63/552352963.db2.gz FJYJILGVUOJMKJ-VXGBXAGGSA-N 1 0 379.295 2.739 20 0 GFADRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)c3nn(-c4ccc(F)cc4)cc3Br)C[C@@H]12 ZINC000185061568 552353140 /nfs/dbraw/zinc/35/31/40/552353140.db2.gz AXMRSYMETNLBQE-WDBKCZKBSA-N 1 0 393.260 2.583 20 0 GFADRO CC(C)C[C@H](CO)[N@H+](C)CC(=O)Nc1cccc(I)c1 ZINC000185333759 552361001 /nfs/dbraw/zinc/36/10/01/552361001.db2.gz XWVIKJOLJCZENU-CQSZACIVSA-N 1 0 390.265 2.569 20 0 GFADRO CC[N@H+](CCO)CCNC(=O)Nc1cc(Br)ccc1OC(C)C ZINC000185459540 552363929 /nfs/dbraw/zinc/36/39/29/552363929.db2.gz VMPNYNWUEGAOQD-UHFFFAOYSA-N 1 0 388.306 2.672 20 0 GFADRO Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+]CC(=O)N(C)c1nccs1 ZINC000185633773 552367492 /nfs/dbraw/zinc/36/74/92/552367492.db2.gz UBAKFQVVMKYCGV-VIFPVBQESA-N 1 0 375.420 2.832 20 0 GFADRO CCCOC[C@@H](Cc1cccc(Br)c1)[NH2+]C1CCN(C(N)=O)CC1 ZINC000186503828 552389770 /nfs/dbraw/zinc/38/97/70/552389770.db2.gz ZGAFUAOWMFKAIL-QGZVFWFLSA-N 1 0 398.345 2.920 20 0 GFADRO CCO[C@@H]1C[C@@](CO)([NH2+]Cc2cnc3ccc(Br)cn23)C1(C)C ZINC000186580715 552391313 /nfs/dbraw/zinc/39/13/13/552391313.db2.gz XREIHWQMYOGNQM-PBHICJAKSA-N 1 0 382.302 2.753 20 0 GFADRO Fc1ccc(N2CCN(CC[NH2+]Cc3cncc(Br)c3)CC2)cc1 ZINC000186585273 552392007 /nfs/dbraw/zinc/39/20/07/552392007.db2.gz FZWHXUGCPMWIFI-UHFFFAOYSA-N 1 0 393.304 2.895 20 0 GFADRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)c1ccc(I)c(Cl)c1 ZINC000186876998 552399953 /nfs/dbraw/zinc/39/99/53/552399953.db2.gz KJONIBYCUAZUOL-PELKAZGASA-N 1 0 378.641 2.672 20 0 GFADRO CSc1ccccc1S(=O)(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000186987180 552403786 /nfs/dbraw/zinc/40/37/86/552403786.db2.gz FBMUATIXOYNCIP-UHFFFAOYSA-N 1 0 380.535 2.827 20 0 GFADRO CCC[N@@H+]1CC[C@@H](CNC(=O)NCc2ccc(Br)cc2OC)C1 ZINC000187071595 552405918 /nfs/dbraw/zinc/40/59/18/552405918.db2.gz QURDTNJPGSNJIX-ZDUSSCGKSA-N 1 0 384.318 2.989 20 0 GFADRO CN1CCC[C@H]1C[NH2+]Cc1cc(Br)cc(Br)c1N ZINC000187225667 552409644 /nfs/dbraw/zinc/40/96/44/552409644.db2.gz RDAFNNYIPWPZGD-NSHDSACASA-N 1 0 377.124 2.978 20 0 GFADRO CC[C@H]([NH2+]C[C@H](O)c1ccc(F)cc1Cl)c1cccc(S(N)(=O)=O)c1 ZINC000187427343 552415292 /nfs/dbraw/zinc/41/52/92/552415292.db2.gz VMVDCAIULHCWEH-IRXDYDNUSA-N 1 0 386.876 2.901 20 0 GFADRO CC[C@@H]([NH2+]C[C@H](O)c1ccc(F)cc1Cl)c1cccc(S(N)(=O)=O)c1 ZINC000187427368 552415363 /nfs/dbraw/zinc/41/53/63/552415363.db2.gz VMVDCAIULHCWEH-SJORKVTESA-N 1 0 386.876 2.901 20 0 GFADRO Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+][C@H](C)C1CCS(=O)(=O)CC1 ZINC000187531205 552418356 /nfs/dbraw/zinc/41/83/56/552418356.db2.gz ZJDTVSDPYBUYIV-MNOVXSKESA-N 1 0 381.464 2.926 20 0 GFADRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)Nc1ccsc1Cl ZINC000187565068 552419521 /nfs/dbraw/zinc/41/95/21/552419521.db2.gz XULJMINRWBGMLC-WFASDCNBSA-N 1 0 377.897 2.977 20 0 GFADRO C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+]Cc1cc(C(N)=O)co1 ZINC000187719939 552422622 /nfs/dbraw/zinc/42/26/22/552422622.db2.gz KGXYHMBPNUNERW-JTQLQIEISA-N 1 0 380.242 2.648 20 0 GFADRO CN(CC[N@H+](C)C1CC1)C(=O)C(=O)Nc1ccc(Cl)c(Br)c1 ZINC000187734659 552423451 /nfs/dbraw/zinc/42/34/51/552423451.db2.gz OFALPFGWWITNTD-UHFFFAOYSA-N 1 0 388.693 2.594 20 0 GFADRO CCC[C@@H]([NH2+]C1CCN(S(=O)(=O)c2cnn(C)c2)CC1)c1ccsc1 ZINC000187788861 552424351 /nfs/dbraw/zinc/42/43/51/552424351.db2.gz NHMQTANIYXVWPC-QGZVFWFLSA-N 1 0 382.555 2.766 20 0 GFADRO COC[C@@H]([NH2+]CCC(=O)Nc1ccc(Br)cc1)C1CCOCC1 ZINC000187913636 552427738 /nfs/dbraw/zinc/42/77/38/552427738.db2.gz JPTVZPLCMDIZHG-MRXNPFEDSA-N 1 0 385.302 2.809 20 0 GFADRO C[C@H]1CC[C@](CO)([N@H+](C)CC(=O)N(C)Cc2ccccc2Br)C1 ZINC000188034806 552432230 /nfs/dbraw/zinc/43/22/30/552432230.db2.gz IWCGHAPVDNZLJP-KSSFIOAISA-N 1 0 383.330 2.890 20 0 GFADRO Cc1cc(Br)cc(NC(=O)C(=O)N2CCC([NH+]3CCCC3)CC2)c1 ZINC000188069510 552433606 /nfs/dbraw/zinc/43/36/06/552433606.db2.gz FUBCHXDMXRWHSG-UHFFFAOYSA-N 1 0 394.313 2.783 20 0 GFADRO O=C(Cc1ccc(F)cc1Br)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000188062513 552433694 /nfs/dbraw/zinc/43/36/94/552433694.db2.gz RRMRPCKDIFRWQR-UHFFFAOYSA-N 1 0 399.304 2.702 20 0 GFADRO C[NH+](C)C1CCN(CCNC(=O)C2(c3ccccc3Br)CC2)CC1 ZINC000188078395 552434191 /nfs/dbraw/zinc/43/41/91/552434191.db2.gz VHHMQNITGDFWDB-UHFFFAOYSA-N 1 0 394.357 2.623 20 0 GFADRO O=C(c1[nH]nc2c1C[NH2+]CC2)N1CCC[C@H]1c1cccc(Br)c1 ZINC000188376668 552443803 /nfs/dbraw/zinc/44/38/03/552443803.db2.gz UVNMGUZPOXNPNY-HNNXBMFYSA-N 1 0 375.270 2.795 20 0 GFADRO O=C(c1ccc(Cl)c(I)c1)N1CC[NH+]2CCC1CC2 ZINC000188605544 552450143 /nfs/dbraw/zinc/45/01/43/552450143.db2.gz NGHVHEZKQKUSAP-UHFFFAOYSA-N 1 0 390.652 2.865 20 0 GFADRO O=C1c2ccccc2CCN1CC[NH2+]Cc1cnc2ccc(Br)cn12 ZINC000189052285 552462175 /nfs/dbraw/zinc/46/21/75/552462175.db2.gz GKTGNUVLOPLMFI-UHFFFAOYSA-N 1 0 399.292 2.885 20 0 GFADRO C[NH+](C)CCOc1cccc(CNC(=O)c2ncc(Br)s2)c1 ZINC000189154186 552464701 /nfs/dbraw/zinc/46/47/01/552464701.db2.gz RRLSBRUAISCFDU-UHFFFAOYSA-N 1 0 384.299 2.776 20 0 GFADRO C[C@@H]1C[NH+](CCCCNC(=O)c2ncc(Br)s2)C[C@@H](C)O1 ZINC000189234629 552466366 /nfs/dbraw/zinc/46/63/66/552466366.db2.gz YWDLWANNURNPMB-GHMZBOCLSA-N 1 0 376.320 2.525 20 0 GFADRO CC[N@H+](C[C@@H](O)COc1cccc(C(F)(F)F)c1)C[C@H](O)C(F)(F)F ZINC000189429081 552471308 /nfs/dbraw/zinc/47/13/08/552471308.db2.gz NLMPLBPJKNFGMG-YPMHNXCESA-N 1 0 375.309 2.690 20 0 GFADRO O=C(Cc1csc(-c2ccc(Cl)s2)n1)NCC[N@@H+]1CCCOCC1 ZINC000189439479 552471447 /nfs/dbraw/zinc/47/14/47/552471447.db2.gz YQJHOHDEYLPPOE-UHFFFAOYSA-N 1 0 385.942 2.906 20 0 GFADRO C[C@H](Cc1ccc(F)c(Br)c1)C(=O)NCC[N@@H+]1CCCOCC1 ZINC000189445349 552472100 /nfs/dbraw/zinc/47/21/00/552472100.db2.gz JOFXQHWSXLIQEF-CYBMUJFWSA-N 1 0 387.293 2.605 20 0 GFADRO CS(=O)(=O)N1CC(C[NH2+]Cc2ccc(-c3cccc(Br)c3)o2)C1 ZINC000189696621 552477553 /nfs/dbraw/zinc/47/75/53/552477553.db2.gz IJVHFGGEBDKPHO-UHFFFAOYSA-N 1 0 399.310 2.690 20 0 GFADRO CCO[C@H]1C[C@@](CO)([NH2+]CC(=O)Nc2ccccc2Br)C1(C)C ZINC000189958839 552484017 /nfs/dbraw/zinc/48/40/17/552484017.db2.gz SVIRUPXHDJPVIZ-YOEHRIQHSA-N 1 0 385.302 2.543 20 0 GFADRO CC[N@@H+]1CC[C@@H](CNC(=O)c2scc(C)c2I)C1 ZINC000190201125 552490335 /nfs/dbraw/zinc/49/03/35/552490335.db2.gz IYYHMNVJZZONPT-JTQLQIEISA-N 1 0 378.279 2.733 20 0 GFADRO CCOCCOCC[N@H+](C)CCC(=O)Nc1ccc(Br)cc1F ZINC000190248115 552491248 /nfs/dbraw/zinc/49/12/48/552491248.db2.gz CLYMUMKMVJUTPI-UHFFFAOYSA-N 1 0 391.281 2.902 20 0 GFADRO C[C@H]1CCC[N@H+](CCNC(=O)C(=O)Nc2cc(Cl)c(F)c(Cl)c2)C1 ZINC000190310878 552492511 /nfs/dbraw/zinc/49/25/11/552492511.db2.gz RDQCVUNXFRJAGB-JTQLQIEISA-N 1 0 376.259 2.919 20 0 GFADRO Cc1ccc(Br)cc1CNC(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000190518099 552499203 /nfs/dbraw/zinc/49/92/03/552499203.db2.gz FXSURWBEZGDQHN-UHFFFAOYSA-N 1 0 397.361 2.583 20 0 GFADRO CN1CCN(C(=O)CC[NH2+][C@H](c2ccc(Br)s2)C2CC2)CC1 ZINC000190598865 552502899 /nfs/dbraw/zinc/50/28/99/552502899.db2.gz ZEHWQWCHVDBCKY-INIZCTEOSA-N 1 0 386.359 2.715 20 0 GFADRO COC[C@H](O)C[N@@H+]1CCC[C@H]1c1nc(-c2ccccc2Br)no1 ZINC000190790984 552508982 /nfs/dbraw/zinc/50/89/82/552508982.db2.gz KARDPNMPFKJYHY-RISCZKNCSA-N 1 0 382.258 2.643 20 0 GFADRO COc1cc(C[NH2+][C@H]2CC[C@H](OC)C2)cc(I)c1OC ZINC000190949614 552514726 /nfs/dbraw/zinc/51/47/26/552514726.db2.gz CRIBQBORDOSLPJ-RYUDHWBXSA-N 1 0 391.249 2.966 20 0 GFADRO C[NH+]1CCN(Cc2ccc(NC(=O)[C@H]3CCCCO3)cc2Br)CC1 ZINC000191085174 552518727 /nfs/dbraw/zinc/51/87/27/552518727.db2.gz JHIIAAPRKXGWPR-QGZVFWFLSA-N 1 0 396.329 2.704 20 0 GFADRO C[C@@H](CNC(=O)C1(c2ccccc2Br)CC1)CN1CCOCC1 ZINC000191788812 552538025 /nfs/dbraw/zinc/53/80/25/552538025.db2.gz LGWQBVFZYSLNEL-AWEZNQCLSA-N 1 0 381.314 2.565 20 0 GFADRO COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)NCC(C)(C)C[NH+](C)C ZINC000192031885 552546819 /nfs/dbraw/zinc/54/68/19/552546819.db2.gz SKUDRWQGSPSPEP-UHFFFAOYSA-N 1 0 376.284 2.645 20 0 GFADRO COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000192089861 552550177 /nfs/dbraw/zinc/55/01/77/552550177.db2.gz BKEKWPOTKTWGNC-UWVGGRQHSA-N 1 0 386.279 2.682 20 0 GFADRO O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1)c1cc(Br)c[nH]1 ZINC000192221037 552556836 /nfs/dbraw/zinc/55/68/36/552556836.db2.gz ONGZKVNWMRCMEB-INIZCTEOSA-N 1 0 392.297 2.798 20 0 GFADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)Nc2cc(Cl)c(N)c(Cl)c2)CC1 ZINC000192309301 552559493 /nfs/dbraw/zinc/55/94/93/552559493.db2.gz QMLDYALXTNUREK-LBPRGKRZSA-N 1 0 388.343 2.971 20 0 GFADRO CN(C(=O)c1cc(Br)nn1C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000192365128 552560993 /nfs/dbraw/zinc/56/09/93/552560993.db2.gz VPVXRLYQBFVFCA-OAHLLOKOSA-N 1 0 391.313 2.919 20 0 GFADRO C[NH2+]CC1CCN(S(=O)(=O)c2ccc(Cl)c(Br)c2)CC1 ZINC000192389565 552561437 /nfs/dbraw/zinc/56/14/37/552561437.db2.gz UVJZHRPKHJKOTO-UHFFFAOYSA-N 1 0 381.723 2.723 20 0 GFADRO COC(=O)c1cccc(NC(=O)N2CC[N@@H+]3CCC[C@H]3C2)c1Br ZINC000192424659 552563213 /nfs/dbraw/zinc/56/32/13/552563213.db2.gz WGXYUSCAZGRWGD-NSHDSACASA-N 1 0 382.258 2.548 20 0 GFADRO COCC[N@@H+]1CC[C@H](NC(=O)c2cc(Cl)cc(Br)c2F)C1 ZINC000444179231 563823468 /nfs/dbraw/zinc/82/34/68/563823468.db2.gz YUTPPVUFWCSSMW-JTQLQIEISA-N 1 0 379.657 2.692 20 0 GFADRO Cc1c(Cl)cccc1NC(=O)C[NH2+][C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000192842588 552975922 /nfs/dbraw/zinc/97/59/22/552975922.db2.gz VKRLFPDXVOEYIF-LBPRGKRZSA-N 1 0 381.885 2.585 20 0 GFADRO CCS(=O)(=O)N1CC(C[NH2+]CCCCc2cccc(C(F)(F)F)c2)C1 ZINC000192851139 552976098 /nfs/dbraw/zinc/97/60/98/552976098.db2.gz MXRVVTUDBQDQBT-UHFFFAOYSA-N 1 0 378.460 2.899 20 0 GFADRO Cc1c(Br)ccc(NC(=O)C(=O)NCC(C)(C)C[NH+](C)C)c1F ZINC000192966004 552979110 /nfs/dbraw/zinc/97/91/10/552979110.db2.gz VRSNKLMJJCSGPG-UHFFFAOYSA-N 1 0 388.281 2.539 20 0 GFADRO COc1ccc(Br)c(S(=O)(=O)N[C@]2(C[NH3+])CCCC[C@H]2C)c1 ZINC000193032364 552980655 /nfs/dbraw/zinc/98/06/55/552980655.db2.gz CSZIVCLAOFRVEC-ABAIWWIYSA-N 1 0 391.331 2.644 20 0 GFADRO COc1ccc(CNC(=O)[C@@H]2COCCN2C2CCCC2)cc1Br ZINC000193071102 552982289 /nfs/dbraw/zinc/98/22/89/552982289.db2.gz KJLNQOIMNVPTBL-INIZCTEOSA-N 1 0 397.313 2.717 20 0 GFADRO Cc1cc(N2CC[C@@H]([NH2+][C@@H](C)c3ccnn3C)C2=O)ccc1Br ZINC000193292971 552989163 /nfs/dbraw/zinc/98/91/63/552989163.db2.gz FTOJTPUSDYRLLX-SWLSCSKDSA-N 1 0 377.286 2.947 20 0 GFADRO O=C(NCc1ccccc1CN1CCOCC1)c1ccoc1Br ZINC000193307735 552990091 /nfs/dbraw/zinc/99/00/91/552990091.db2.gz FNWSWFXXBZWVDP-UHFFFAOYSA-N 1 0 379.254 2.804 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)N[C@@H]1CCC[NH2+][C@@H]1C ZINC000193532427 552995679 /nfs/dbraw/zinc/99/56/79/552995679.db2.gz HGAMLMVXHKBBSK-QLFBSQMISA-N 1 0 384.567 2.608 20 0 GFADRO CC[N@@H+]1CC[C@H](CNC(=O)COc2ccc(Br)cc2Cl)C1 ZINC000193547589 552996325 /nfs/dbraw/zinc/99/63/25/552996325.db2.gz NNUDIAHZGSIEEF-LLVKDONJSA-N 1 0 375.694 2.939 20 0 GFADRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 ZINC000193651366 552999089 /nfs/dbraw/zinc/99/90/89/552999089.db2.gz CXMWTNVFAYFDHE-UVBJJODRSA-N 1 0 384.307 2.855 20 0 GFADRO Cc1nnc(SCC(=O)N2CCC[N@H+](Cc3ccccc3C)CC2)s1 ZINC000193642007 552999291 /nfs/dbraw/zinc/99/92/91/552999291.db2.gz HTYWCLNDEPUGIG-UHFFFAOYSA-N 1 0 376.551 2.982 20 0 GFADRO CS(=O)(=O)Nc1cccc2c1CC[N@H+](C[C@@H](O)c1ccc(Cl)cc1)C2 ZINC000193793505 553003362 /nfs/dbraw/zinc/00/33/62/553003362.db2.gz YTZZFFSTVHETIY-GOSISDBHSA-N 1 0 380.897 2.803 20 0 GFADRO CC[NH+]1CCC(N(C(=O)c2ccncc2I)C2CC2)CC1 ZINC000367117386 563831930 /nfs/dbraw/zinc/83/19/30/563831930.db2.gz OMNGSOLKANXSFE-UHFFFAOYSA-N 1 0 399.276 2.775 20 0 GFADRO Cc1cnc(NCc2cccnc2N2CC[NH+](C)CC2)c(Br)c1 ZINC000194314736 553016891 /nfs/dbraw/zinc/01/68/91/553016891.db2.gz BVXBMJWKSZZFSB-UHFFFAOYSA-N 1 0 376.302 2.911 20 0 GFADRO CC[NH+](CC)C[C@H]1CCN(C(=O)[C@H]2Cc3cc(Br)ccc3O2)C1 ZINC000194363006 553018578 /nfs/dbraw/zinc/01/85/78/553018578.db2.gz SGBIZKHISCRWAK-CXAGYDPISA-N 1 0 381.314 2.943 20 0 GFADRO COc1ccc(CC[NH+]2CCC(NS(=O)(=O)c3cccs3)CC2)cc1 ZINC000194591974 553024735 /nfs/dbraw/zinc/02/47/35/553024735.db2.gz PYVHIFOSPPVYPR-UHFFFAOYSA-N 1 0 380.535 2.742 20 0 GFADRO C[N@@H+]1CCC[C@@H]1CNC(=O)CCc1nc(-c2cc(Br)cs2)no1 ZINC000194690533 553026996 /nfs/dbraw/zinc/02/69/96/553026996.db2.gz XREMRCSLUSPQMY-LLVKDONJSA-N 1 0 399.314 2.704 20 0 GFADRO COCC[NH+]1CCC(NC(=O)c2cc3c(cccc3Br)[nH]2)CC1 ZINC000194834794 553031558 /nfs/dbraw/zinc/03/15/58/553031558.db2.gz HANDQLWHGFAPAI-UHFFFAOYSA-N 1 0 380.286 2.771 20 0 GFADRO C[NH+]1CCN(c2cc(CNC(=O)c3cc(Br)cs3)ccn2)CC1 ZINC000195028764 553035993 /nfs/dbraw/zinc/03/59/93/553035993.db2.gz KFEFVXSDSRVECS-UHFFFAOYSA-N 1 0 395.326 2.587 20 0 GFADRO C[C@@H]1C[NH+](CCCNC(=O)NCc2sccc2Br)C[C@@H](C)O1 ZINC000195205657 553041345 /nfs/dbraw/zinc/04/13/45/553041345.db2.gz AQJAETQMYNOOQK-VXGBXAGGSA-N 1 0 390.347 2.809 20 0 GFADRO Cc1c[nH+]ccc1N1CCN(S(=O)(=O)c2cccc3c2N=S=N3)CC1 ZINC000195334743 553045581 /nfs/dbraw/zinc/04/55/81/553045581.db2.gz SDAONNKGHHZSLQ-UHFFFAOYSA-N 1 0 375.479 2.627 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)NCCCNC(=O)c1cccs1)c1cccs1 ZINC000195474982 553049714 /nfs/dbraw/zinc/04/97/14/553049714.db2.gz YXUHUOZUQPBQND-CYBMUJFWSA-N 1 0 380.539 2.532 20 0 GFADRO CN(C(=O)c1cc(Cl)ccc1I)C1CC[NH2+]CC1 ZINC000226206706 553060794 /nfs/dbraw/zinc/06/07/94/553060794.db2.gz SHNJIPPXLGKROX-UHFFFAOYSA-N 1 0 378.641 2.769 20 0 GFADRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)c1ccc(I)c(Cl)c1 ZINC000228768943 553063857 /nfs/dbraw/zinc/06/38/57/553063857.db2.gz VQANAOOUWJAWPR-IUCAKERBSA-N 1 0 378.641 2.754 20 0 GFADRO O=C(NCC[NH2+]Cc1nc(-c2cccc(Br)c2)c[nH]1)c1ccco1 ZINC000236576971 553069016 /nfs/dbraw/zinc/06/90/16/553069016.db2.gz PMIMMAWDJRZDNM-UHFFFAOYSA-N 1 0 389.253 2.952 20 0 GFADRO O=C(NCC[NH2+]C1CC1)c1nn(-c2cccc(Br)c2)c2c1CCC2 ZINC000236676856 553070363 /nfs/dbraw/zinc/07/03/63/553070363.db2.gz DIFFUTPGQBPQQJ-UHFFFAOYSA-N 1 0 389.297 2.605 20 0 GFADRO CC(=O)N[C@H](CC(=O)N(C)CC[C@H]([NH3+])C(C)C)c1ccc(Br)cc1 ZINC000236744664 553070743 /nfs/dbraw/zinc/07/07/43/553070743.db2.gz JPLQLIJWBVIFKG-DLBZAZTESA-N 1 0 398.345 2.848 20 0 GFADRO CC(=O)N[C@H](CC(=O)N[C@H]1CCCC[C@@H]1C[NH3+])c1ccc(Br)cc1 ZINC000236730627 553070744 /nfs/dbraw/zinc/07/07/44/553070744.db2.gz RAOVSMJBDXCKNK-HYVNUMGLSA-N 1 0 396.329 2.650 20 0 GFADRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000236759305 553070779 /nfs/dbraw/zinc/07/07/79/553070779.db2.gz ILCYJFWNNSUVKM-ZFWWWQNUSA-N 1 0 396.329 2.634 20 0 GFADRO O=C(Nc1ccc(Br)cc1)C1CCN(C(=O)[C@H]2CCCC[NH2+]2)CC1 ZINC000236718583 553070831 /nfs/dbraw/zinc/07/08/31/553070831.db2.gz ATTIHJBJCPTICQ-MRXNPFEDSA-N 1 0 394.313 2.768 20 0 GFADRO CC(C)c1ccc([C@@H]([NH3+])CNC(=O)c2c[nH]c(=O)c(Br)c2)cc1 ZINC000236728807 553071204 /nfs/dbraw/zinc/07/12/04/553071204.db2.gz JGJPARSMBSGGMB-HNNXBMFYSA-N 1 0 378.270 2.691 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)N[C@H](C[NH3+])CC(C)C ZINC000236827036 553071625 /nfs/dbraw/zinc/07/16/25/553071625.db2.gz AKXABBUFQXHSFS-GJZGRUSLSA-N 1 0 386.583 2.841 20 0 GFADRO CCCC[C@@H](C[NH3+])NC(=O)c1cc(S(=O)(=O)NC(C)(C)C)ccc1Cl ZINC000236865886 553072287 /nfs/dbraw/zinc/07/22/87/553072287.db2.gz ZVISHNWIISQUCM-LBPRGKRZSA-N 1 0 389.949 2.664 20 0 GFADRO CCC[NH2+]CCNC(=O)CCCOc1ccc(I)cc1 ZINC000236907739 553072640 /nfs/dbraw/zinc/07/26/40/553072640.db2.gz DYLWSMGMVSMKLQ-UHFFFAOYSA-N 1 0 390.265 2.566 20 0 GFADRO CCOc1c(Br)cc(C(=O)NCC[C@@H]2CCC[NH2+]C2)cc1OC ZINC000237017099 553073667 /nfs/dbraw/zinc/07/36/67/553073667.db2.gz PGELNTVBZMZMES-LBPRGKRZSA-N 1 0 385.302 2.976 20 0 GFADRO CCOc1c(Br)cc(C(=O)N2CCC(C[NH2+]C)CC2)cc1OC ZINC000237015599 553073825 /nfs/dbraw/zinc/07/38/25/553073825.db2.gz MYDJMFOQGAFEFY-UHFFFAOYSA-N 1 0 385.302 2.928 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)CC1CC[NH2+]CC1 ZINC000237092251 553074364 /nfs/dbraw/zinc/07/43/64/553074364.db2.gz LHKHZXWPPKNVIX-UHFFFAOYSA-N 1 0 382.302 2.544 20 0 GFADRO C[NH2+]CC1CCN(C(=O)c2ccc(S(=O)(=O)c3ccccc3)s2)CC1 ZINC000237085187 553074376 /nfs/dbraw/zinc/07/43/76/553074376.db2.gz ODCMDPWEBUJWIK-UHFFFAOYSA-N 1 0 378.519 2.653 20 0 GFADRO CC[NH2+]CC1CCN(S(=O)(=O)c2cccc(Br)c2C)CC1 ZINC000237054410 553074379 /nfs/dbraw/zinc/07/43/79/553074379.db2.gz QIEOSIAFEGMBDE-UHFFFAOYSA-N 1 0 375.332 2.768 20 0 GFADRO C[NH2+]C[C@@H]1CCCN1C(=O)CCC[S@](=O)c1ccc(Br)cc1 ZINC000237074801 553074385 /nfs/dbraw/zinc/07/43/85/553074385.db2.gz DERDQIUHFRETPZ-FPTDNZKUSA-N 1 0 387.343 2.547 20 0 GFADRO C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H](CCOC)Cc1cccc(Br)c1 ZINC000237104124 553074866 /nfs/dbraw/zinc/07/48/66/553074866.db2.gz AMKXDFJSTYHBSU-RDJZCZTQSA-N 1 0 383.330 2.855 20 0 GFADRO COCC[C@H](Cc1cccc(Br)c1)C(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000237116966 553074982 /nfs/dbraw/zinc/07/49/82/553074982.db2.gz HRQIIXJCOGBHKG-IJEWVQPXSA-N 1 0 383.330 2.853 20 0 GFADRO C[NH2+]C[C@H]1CCCN(C(=O)c2c(F)cccc2I)C1 ZINC000237309374 553076463 /nfs/dbraw/zinc/07/64/63/553076463.db2.gz VJJDMJQXOCQUOT-SNVBAGLBSA-N 1 0 376.213 2.502 20 0 GFADRO CS(=O)(=O)Nc1ccc(C(F)(F)F)cc1NC(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000237400149 553076921 /nfs/dbraw/zinc/07/69/21/553076921.db2.gz WSBSPDISQNMRRQ-KOLCDFICSA-N 1 0 379.404 2.533 20 0 GFADRO C[C@@H]1CCCN(C(=O)c2cnn(-c3ccc(Br)cc3)c2)[C@@H]1C[NH3+] ZINC000237452313 553077731 /nfs/dbraw/zinc/07/77/31/553077731.db2.gz PGPAPCJYZURIGQ-MLGOLLRUSA-N 1 0 377.286 2.834 20 0 GFADRO C[C@@H]1CCCN(C(=O)c2nn(-c3ccc(F)cc3)cc2Br)[C@@H]1C[NH3+] ZINC000237455884 553078199 /nfs/dbraw/zinc/07/81/99/553078199.db2.gz HSWPQYPCKNNDDV-IAQYHMDHSA-N 1 0 395.276 2.973 20 0 GFADRO Cc1c(C(=O)N2C[C@H](C)[NH2+]C[C@@H]2C)cnn1-c1cccc(Br)c1 ZINC000237586444 553079363 /nfs/dbraw/zinc/07/93/63/553079363.db2.gz QPRKOGPZUDWKAL-RYUDHWBXSA-N 1 0 377.286 2.766 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C(=O)N1C[C@H](C)[NH2+]C[C@H]1C ZINC000237581687 553079375 /nfs/dbraw/zinc/07/93/75/553079375.db2.gz ZQIYWDNWAWMYJO-NWDGAFQWSA-N 1 0 377.286 2.766 20 0 GFADRO C[C@](C[NH3+])(NC(=O)CCC[S@](=O)c1ccc(Br)cc1)C1CC1 ZINC000237586981 553079471 /nfs/dbraw/zinc/07/94/71/553079471.db2.gz BRKOEQFIYUBDMN-ZHRRBRCNSA-N 1 0 387.343 2.581 20 0 GFADRO C[C@H](C[NH3+])N(C)S(=O)(=O)c1c(Cl)cc(Br)cc1Cl ZINC000237654909 553079875 /nfs/dbraw/zinc/07/98/75/553079875.db2.gz KEHSQGWMZSOBIS-ZCFIWIBFSA-N 1 0 376.103 2.724 20 0 GFADRO C[C@H](C[NH3+])N(C)C(=O)c1nn(-c2cccc(Br)c2)c2c1CCC2 ZINC000237653522 553079957 /nfs/dbraw/zinc/07/99/57/553079957.db2.gz YARUTUGJOOMUSO-LLVKDONJSA-N 1 0 377.286 2.543 20 0 GFADRO O=C(N[C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1)[C@H]1CCCC[NH2+]1 ZINC000237707263 553080343 /nfs/dbraw/zinc/08/03/43/553080343.db2.gz XSUAVPIYWGKOHF-DGCLKSJQSA-N 1 0 376.810 2.591 20 0 GFADRO Cc1cc(C(=O)N2CCCC[C@@H]2C[NH3+])nn1-c1ccc(Br)cc1 ZINC000237684219 553080683 /nfs/dbraw/zinc/08/06/83/553080683.db2.gz GSXHRZCPPZYZOK-OAHLLOKOSA-N 1 0 377.286 2.897 20 0 GFADRO Cc1ccc(S(=O)(=O)N2CCC(OCCC[NH3+])CC2)cc1C(F)(F)F ZINC000237729506 553081135 /nfs/dbraw/zinc/08/11/35/553081135.db2.gz MKVUUYIMQWDUSM-UHFFFAOYSA-N 1 0 380.432 2.532 20 0 GFADRO O=C(NCC[C@H]1CCC[NH2+]C1)c1cc(F)c(F)cc1I ZINC000237710846 553081148 /nfs/dbraw/zinc/08/11/48/553081148.db2.gz OTHGTFMDUGAVCM-SECBINFHSA-N 1 0 394.203 2.689 20 0 GFADRO O=C(NC[C@@H]1CCCC[NH2+]1)[C@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl ZINC000237713193 553081186 /nfs/dbraw/zinc/08/11/86/553081186.db2.gz DBUKNNCCHVQHGV-XJKSGUPXSA-N 1 0 384.307 2.856 20 0 GFADRO NC(=O)c1cccc(C[NH2+]CCC(=O)Nc2ccc(Br)cc2)c1 ZINC000237733816 553081192 /nfs/dbraw/zinc/08/11/92/553081192.db2.gz SEOXRBSLSYFQCM-UHFFFAOYSA-N 1 0 376.254 2.666 20 0 GFADRO C[C@H]1CN(C(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)c(Cl)c3)C2)CC[NH2+]1 ZINC000237761171 553081663 /nfs/dbraw/zinc/08/16/63/553081663.db2.gz WNFWYKBGGUYWHT-GXTWGEPZSA-N 1 0 384.307 2.666 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CNC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000237792923 553081783 /nfs/dbraw/zinc/08/17/83/553081783.db2.gz IWJGBANAHFTXCM-INWMFGNUSA-N 1 0 394.313 2.733 20 0 GFADRO C[C@]1(C(=O)Nc2cc(F)c(I)c(F)c2)CCC[NH2+]C1 ZINC000237770910 553081944 /nfs/dbraw/zinc/08/19/44/553081944.db2.gz HMWBGJZYUZMHIO-ZDUSSCGKSA-N 1 0 380.176 2.898 20 0 GFADRO O=S(=O)(Cc1c(Cl)cccc1Cl)NCCC[NH2+]Cc1cccnc1 ZINC000237845278 553083006 /nfs/dbraw/zinc/08/30/06/553083006.db2.gz KRFSXPRTGGBDLE-UHFFFAOYSA-N 1 0 388.320 2.988 20 0 GFADRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)c1ccn(-c2cccc(Br)c2)n1 ZINC000237897828 553083348 /nfs/dbraw/zinc/08/33/48/553083348.db2.gz IMUIFYYUYFBASV-WFASDCNBSA-N 1 0 377.286 2.882 20 0 GFADRO [NH3+][C@H]1CCC[C@H]1C(=O)N1CCC(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000237874416 553083407 /nfs/dbraw/zinc/08/34/07/553083407.db2.gz SZUOKLWOCNPQFR-CVEARBPZSA-N 1 0 394.313 2.754 20 0 GFADRO [NH3+]C[C@H]1CCCN(C(=O)c2ccc(Cl)c(I)c2)C1 ZINC000237859486 553083428 /nfs/dbraw/zinc/08/34/28/553083428.db2.gz ZLZZKKMLNDMFEU-SECBINFHSA-N 1 0 378.641 2.756 20 0 GFADRO [NH3+]C1(CC(=O)N[C@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)CCC1 ZINC000238012898 553085317 /nfs/dbraw/zinc/08/53/17/553085317.db2.gz QGHOJIFCKXEUBE-NSHDSACASA-N 1 0 376.810 2.720 20 0 GFADRO C[NH+]1CCN(c2ccc(NC(=O)Cc3ccccc3Br)cn2)CC1 ZINC000243657021 553088720 /nfs/dbraw/zinc/08/87/20/553088720.db2.gz PAPMETPEELPOGP-UHFFFAOYSA-N 1 0 389.297 2.777 20 0 GFADRO CC[N@@H+]1CC[C@@H](CNC(=O)[C@]23CCC(=O)N2c2cc(Cl)ccc2S3)C1 ZINC000245203920 553089293 /nfs/dbraw/zinc/08/92/93/553089293.db2.gz NXFMLLPDNQRTIV-KPZWWZAWSA-N 1 0 379.913 2.727 20 0 GFADRO COC(=O)[C@@H](C)C[N@H+](CC(=O)N[C@H](C)c1ccc(Br)cc1)C1CC1 ZINC000245385631 553089545 /nfs/dbraw/zinc/08/95/45/553089545.db2.gz FNGALAAXRULUIH-QWHCGFSZSA-N 1 0 397.313 2.900 20 0 GFADRO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)c1cccc(Br)n1 ZINC000245868498 553098332 /nfs/dbraw/zinc/09/83/32/553098332.db2.gz KPJCUYDPIUCAGR-UKRRQHHQSA-N 1 0 389.297 2.880 20 0 GFADRO CC[C@H](C)[N@H+](C)CCNC(=O)[C@H]1CSCN1C(=O)c1ccc(Cl)cc1 ZINC000245912204 553098883 /nfs/dbraw/zinc/09/88/83/553098883.db2.gz PGWGRCCEZJEPQB-XJKSGUPXSA-N 1 0 383.945 2.702 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2cc(Br)ccc2F)[C@@H](C)C1 ZINC000246032911 553101190 /nfs/dbraw/zinc/10/11/90/553101190.db2.gz ALFVBICQJIJLGP-FZMZJTMJSA-N 1 0 393.322 2.939 20 0 GFADRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1cnn2cc(Br)cnc12 ZINC000246098727 553101991 /nfs/dbraw/zinc/10/19/91/553101991.db2.gz JDHIXJKRXVHYOY-XQQFMLRXSA-N 1 0 394.317 2.588 20 0 GFADRO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)CSCc1cscn1 ZINC000246160047 553103317 /nfs/dbraw/zinc/10/33/17/553103317.db2.gz XETGZBJDFJCNOG-RHSMWYFYSA-N 1 0 376.551 2.798 20 0 GFADRO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)[C@@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1 ZINC000246278071 553105689 /nfs/dbraw/zinc/10/56/89/553105689.db2.gz MHHMBTUAVAMEOR-MAZHCROVSA-N 1 0 384.307 2.842 20 0 GFADRO C[N@@H+]1CC[C@@H](CNC(=O)[C@H](c2ccc(Br)cc2)N2CCCC2)C1 ZINC000246467064 553108049 /nfs/dbraw/zinc/10/80/49/553108049.db2.gz GJKITCFWCGSSRH-YOEHRIQHSA-N 1 0 380.330 2.654 20 0 GFADRO C[C@@H](C(=O)Nc1ccc(Cl)c(Cl)c1)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246510887 553109424 /nfs/dbraw/zinc/10/94/24/553109424.db2.gz BIBQMRYXGSSBHU-KBPBESRZSA-N 1 0 386.323 2.975 20 0 GFADRO C[C@H](Cn1cc(Br)cn1)[NH2+][C@@H]1C[C@H](C)N(c2ccccc2)C1=O ZINC000246586320 553109932 /nfs/dbraw/zinc/10/99/32/553109932.db2.gz YYYPXIBQFIYPON-DVOMOZLQSA-N 1 0 377.286 2.818 20 0 GFADRO O[C@H](COc1cccc(C(F)(F)F)c1)C[N@@H+]1CCS[C@H]2COCC[C@H]21 ZINC000246773790 553112853 /nfs/dbraw/zinc/11/28/53/553112853.db2.gz IEBHOHAZUXXWJY-IMJJTQAJSA-N 1 0 377.428 2.651 20 0 GFADRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2n[nH]c3ccc(Br)cc32)C1 ZINC000246842607 553114252 /nfs/dbraw/zinc/11/42/52/553114252.db2.gz SZHLETBOMHWLGI-XHDPSFHLSA-N 1 0 377.286 2.882 20 0 GFADRO C[N@@H+]1CCC[C@H](CNC(=O)N2CCO[C@@H](c3ccc(Br)cc3)C2)C1 ZINC000247127267 553118625 /nfs/dbraw/zinc/11/86/25/553118625.db2.gz LVHSGGMRKGJOPG-RHSMWYFYSA-N 1 0 396.329 2.874 20 0 GFADRO NC(=O)[C@H](c1ccc(Br)cc1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000247096252 553118912 /nfs/dbraw/zinc/11/89/12/553118912.db2.gz ODZJDYDGPNFETR-SJORKVTESA-N 1 0 380.330 2.926 20 0 GFADRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2S(=O)(=O)c2sccc2Br)C1 ZINC000247419827 553122283 /nfs/dbraw/zinc/12/22/83/553122283.db2.gz KDTJPAOVFYCPDN-JQWIXIFHSA-N 1 0 379.345 2.615 20 0 GFADRO Cc1ccc(Br)cc1S(=O)(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000248024757 553127159 /nfs/dbraw/zinc/12/71/59/553127159.db2.gz OQZAWBQWYRAZAA-DZGCQCFKSA-N 1 0 387.343 2.862 20 0 GFADRO C[C@@H]1CC[N@H+](CCC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2Cl)[C@H]1C ZINC000248369148 553129017 /nfs/dbraw/zinc/12/90/17/553129017.db2.gz VYLUSNDFOOIESJ-OLZOCXBDSA-N 1 0 387.933 2.649 20 0 GFADRO Cc1c(C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cnn1-c1ccc(Br)cc1 ZINC000248609222 553131925 /nfs/dbraw/zinc/13/19/25/553131925.db2.gz KNOVPDYXAQONLM-ZLIFDBKOSA-N 1 0 389.297 2.753 20 0 GFADRO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000248613733 553132017 /nfs/dbraw/zinc/13/20/17/553132017.db2.gz LMBXVYTXTWUEEN-BPNCWPANSA-N 1 0 391.265 2.673 20 0 GFADRO COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000248894804 553136496 /nfs/dbraw/zinc/13/64/96/553136496.db2.gz TWCAIASEXWFULA-IINYFYTJSA-N 1 0 388.295 2.739 20 0 GFADRO Cc1ccc(NC(=O)C(=O)NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)c(Br)c1 ZINC000248875924 553136791 /nfs/dbraw/zinc/13/67/91/553136791.db2.gz NDJZQDQESKPIIR-KGLIPLIRSA-N 1 0 396.329 2.933 20 0 GFADRO Cc1cc(Br)cc(S(=O)(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)c1 ZINC000249099906 553138878 /nfs/dbraw/zinc/13/88/78/553138878.db2.gz ZUDWOPRSNPACDJ-XJKSGUPXSA-N 1 0 387.343 2.862 20 0 GFADRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)Nc1nc(-c2cccs2)cs1 ZINC000249146273 553140163 /nfs/dbraw/zinc/14/01/63/553140163.db2.gz GJRBJZYGLOTIAF-DGCLKSJQSA-N 1 0 378.523 2.609 20 0 GFADRO C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cccc(Br)c2)CC[N@@H+]1CC(C)(C)O ZINC000249332925 553142381 /nfs/dbraw/zinc/14/23/81/553142381.db2.gz HTBHNODFOJSTSV-XOKHGSTOSA-N 1 0 395.341 2.856 20 0 GFADRO CCCN([C@@H]1CC[NH2+]C1)S(=O)(=O)c1cc(Cl)ccc1O[C@H](C)COC ZINC000249555306 553144179 /nfs/dbraw/zinc/14/41/79/553144179.db2.gz LUTRCJHUIOGNIU-UKRRQHHQSA-N 1 0 390.933 2.516 20 0 GFADRO C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1 ZINC000249940965 553146876 /nfs/dbraw/zinc/14/68/76/553146876.db2.gz VVXTVGJPZQGWKF-CZUORRHYSA-N 1 0 384.307 2.808 20 0 GFADRO CC[C@H](C)[N@H+](C)CCNC(=O)N(C)[C@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000251742023 553148712 /nfs/dbraw/zinc/14/87/12/553148712.db2.gz QKYLOHAVHDYXGW-WFASDCNBSA-N 1 0 387.933 2.540 20 0 GFADRO C[C@@]([NH3+])(C(=O)N1CCC(c2ncc[nH]2)CC1)c1ccc(Br)cc1 ZINC000261631165 553154455 /nfs/dbraw/zinc/15/44/55/553154455.db2.gz BVCSZMZSWAQHMT-KRWDZBQOSA-N 1 0 377.286 2.752 20 0 GFADRO [NH3+][C@@H]1CN(S(=O)(=O)c2ccc(Br)cc2F)C[C@H]1c1ccccc1 ZINC000261631925 553154641 /nfs/dbraw/zinc/15/46/41/553154641.db2.gz CWUQLWIGSHAXND-DZGCQCFKSA-N 1 0 399.285 2.704 20 0 GFADRO C[C@]([NH3+])(C(=O)NCCc1ccc2c(c1)CCO2)c1ccc(Br)cc1 ZINC000261652008 553154987 /nfs/dbraw/zinc/15/49/87/553154987.db2.gz DQOMEKSVIOPNKX-LJQANCHMSA-N 1 0 389.293 2.917 20 0 GFADRO O=S(=O)(c1ccc(Br)cc1Cl)N1CCC2(C1)CC[NH2+]CC2 ZINC000261658701 553155359 /nfs/dbraw/zinc/15/53/59/553155359.db2.gz HYTJBMJTZJOIMB-UHFFFAOYSA-N 1 0 393.734 2.867 20 0 GFADRO C[C@@H](O)c1ccc(CNC(=O)[C@](C)([NH3+])c2ccc(Br)cc2)cc1 ZINC000261722687 553157308 /nfs/dbraw/zinc/15/73/08/553157308.db2.gz KGMSXGGUYMXHKB-KZULUSFZSA-N 1 0 377.282 2.993 20 0 GFADRO Cc1ccc([C@H](O)CNC(=O)[C@](C)([NH3+])c2ccc(Br)cc2)cc1 ZINC000261726895 553157509 /nfs/dbraw/zinc/15/75/09/553157509.db2.gz KPZLLCBILMESKG-SJLPKXTDSA-N 1 0 377.282 2.781 20 0 GFADRO CC(C)Cn1ccnc1CNC(=O)[C@](C)([NH3+])c1ccc(Br)cc1 ZINC000261823874 553160523 /nfs/dbraw/zinc/16/05/23/553160523.db2.gz SWNLBFASJKQCGA-QGZVFWFLSA-N 1 0 379.302 2.792 20 0 GFADRO C[NH2+][C@H](C)Cc1noc([C@H]2CCN(c3ccccc3Br)C2=O)n1 ZINC000261830892 553160555 /nfs/dbraw/zinc/16/05/55/553160555.db2.gz RDYMDQBACNGQHC-GHMZBOCLSA-N 1 0 379.258 2.503 20 0 GFADRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)CCc1nc(-c2cc(Br)cs2)no1 ZINC000261863872 553160898 /nfs/dbraw/zinc/16/08/98/553160898.db2.gz RMEDGNSCWYSSQE-VHSXEESVSA-N 1 0 399.314 2.689 20 0 GFADRO [NH3+]C1(c2noc(CCNC(=O)Nc3ccc(Br)cc3)n2)CCCC1 ZINC000261858886 553161221 /nfs/dbraw/zinc/16/12/21/553161221.db2.gz UDEXMZCWNFFTRD-UHFFFAOYSA-N 1 0 394.273 2.924 20 0 GFADRO CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)NCCc1ccc(Br)cc1 ZINC000261851387 553161337 /nfs/dbraw/zinc/16/13/37/553161337.db2.gz JKPWADQBFKRDEN-DAYGRLMNSA-N 1 0 381.314 2.640 20 0 GFADRO [NH3+]C[C@H]1CC[C@@H](C(=O)Nc2ncc(Cc3cccc(Br)c3)s2)O1 ZINC000261878461 553161608 /nfs/dbraw/zinc/16/16/08/553161608.db2.gz UIGUUIOEYJJDSL-OCCSQVGLSA-N 1 0 396.310 2.941 20 0 GFADRO C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000261909411 553162267 /nfs/dbraw/zinc/16/22/67/553162267.db2.gz XJZPFPVPOMNPPP-GFCCVEGCSA-N 1 0 384.307 2.714 20 0 GFADRO COc1ccccc1CCNC(=O)[C@](C)([NH3+])c1ccc(Br)cc1 ZINC000261943760 553163581 /nfs/dbraw/zinc/16/35/81/553163581.db2.gz FEWHKAZEKMPEEC-GOSISDBHSA-N 1 0 377.282 2.991 20 0 GFADRO Cc1cc(Br)cn2c(CN3CC[NH2+]C[C@@H]3c3ccncc3)cnc12 ZINC000261945573 553163638 /nfs/dbraw/zinc/16/36/38/553163638.db2.gz FHRIONJYPZSGSN-QGZVFWFLSA-N 1 0 386.297 2.947 20 0 GFADRO O=C(Nc1ccc(N2CC[NH2+]CC2)cn1)c1cc(F)ccc1Br ZINC000261970049 553163641 /nfs/dbraw/zinc/16/36/41/553163641.db2.gz YVNXMWXARRJLCS-UHFFFAOYSA-N 1 0 379.233 2.645 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000262011260 553163889 /nfs/dbraw/zinc/16/38/89/553163889.db2.gz UIADEFYTZJWRMB-SCLBCKFNSA-N 1 0 394.313 2.592 20 0 GFADRO COCC1(CNS(=O)(=O)c2c(Cl)ccc3ccccc32)CC[NH2+]CC1 ZINC000262048321 553164488 /nfs/dbraw/zinc/16/44/88/553164488.db2.gz PYHFNLSQJPOLPI-UHFFFAOYSA-N 1 0 382.913 2.788 20 0 GFADRO O=C(c1cc(Br)cc2ccccc21)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000262073110 553165202 /nfs/dbraw/zinc/16/52/02/553165202.db2.gz PMLFEYYBFZKQHR-INIZCTEOSA-N 1 0 388.309 2.722 20 0 GFADRO CCN(Cc1cc(Br)ccc1F)C(=O)[C@@H]([NH2+]C)c1cnn(C)c1 ZINC000262248045 553167937 /nfs/dbraw/zinc/16/79/37/553167937.db2.gz SHVKDBMDTRUNLG-HNNXBMFYSA-N 1 0 383.265 2.631 20 0 GFADRO [NH3+]CCc1nc(C(=O)NCCOc2ncc(C(F)(F)F)cc2Cl)cs1 ZINC000262331412 553168997 /nfs/dbraw/zinc/16/89/97/553168997.db2.gz FKHCCNHXJUSMKC-UHFFFAOYSA-N 1 0 394.806 2.520 20 0 GFADRO COCC1(C(=O)N[C@H](C)CCc2ccc(Br)cc2)CC[NH2+]CC1 ZINC000262315480 553169182 /nfs/dbraw/zinc/16/91/82/553169182.db2.gz BHXQSWINODYIQT-CQSZACIVSA-N 1 0 383.330 2.903 20 0 GFADRO C[C@H]1C[C@@H](C(=O)NC[C@@H]2CCN(c3cccc(Br)c3)C2)CC[NH2+]1 ZINC000262353865 553169929 /nfs/dbraw/zinc/16/99/29/553169929.db2.gz HTFPJMNBDDSQBU-KKUMJFAQSA-N 1 0 380.330 2.780 20 0 GFADRO C[C@H]1C[C@@H](C(=O)Nc2cc(Br)ccc2N2CCOCC2)CC[NH2+]1 ZINC000262357583 553170006 /nfs/dbraw/zinc/17/00/06/553170006.db2.gz JPXFLDSVYUYPRM-STQMWFEESA-N 1 0 382.302 2.612 20 0 GFADRO CC(C)c1n[nH]c(C(=O)NC[C@H]2[NH2+]CCc3ccccc32)c1Br ZINC000262388531 553170017 /nfs/dbraw/zinc/17/00/17/553170017.db2.gz NXTABAOBMXXTLG-CYBMUJFWSA-N 1 0 377.286 2.912 20 0 GFADRO COCC1(C(=O)N(C)CC2(c3ccc(Br)cc3)CC2)CC[NH2+]CC1 ZINC000262427591 553170914 /nfs/dbraw/zinc/17/09/14/553170914.db2.gz WANFWPQHFSZNSF-UHFFFAOYSA-N 1 0 395.341 2.955 20 0 GFADRO C[C@H](C(=O)N1CCC[C@H]1c1ccccc1I)C1C[NH2+]C1 ZINC000262568446 553172414 /nfs/dbraw/zinc/17/24/14/553172414.db2.gz SBORVXVWERGWHN-NHYWBVRUSA-N 1 0 384.261 2.810 20 0 GFADRO CN(CC(C)(C)C[NH3+])C(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1 ZINC000262580422 553172571 /nfs/dbraw/zinc/17/25/71/553172571.db2.gz IUNXZJQCRPIJQS-UHFFFAOYSA-N 1 0 386.945 2.870 20 0 GFADRO O=C(NCCc1ccc(F)c(Br)c1)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000262718682 553174720 /nfs/dbraw/zinc/17/47/20/553174720.db2.gz HKLUNCGIKZUSOL-ZDUSSCGKSA-N 1 0 395.276 2.682 20 0 GFADRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl ZINC000262745357 553175132 /nfs/dbraw/zinc/17/51/32/553175132.db2.gz JKFNVSBVAMIYJP-LYRGGWFBSA-N 1 0 384.307 2.712 20 0 GFADRO Cc1cc(Br)cc(NC(=O)c2ccn([C@H]3CCC[NH2+]C3)n2)c1N ZINC000262778983 553175605 /nfs/dbraw/zinc/17/56/05/553175605.db2.gz MAAIJSQVFFDTGE-LBPRGKRZSA-N 1 0 378.274 2.713 20 0 GFADRO CCO[C@@H]1C[C@@]([NH3+])(C(=O)NC[C@@H](C)Oc2cccc(Br)c2)C1(C)C ZINC000262802290 553176142 /nfs/dbraw/zinc/17/61/42/553176142.db2.gz RNRLLXMIEKVYHJ-CDHAZOANSA-N 1 0 399.329 2.865 20 0 GFADRO CCO[C@@H]1C[C@]([NH3+])(C(=O)NC[C@H](C)Oc2cccc(Br)c2)C1(C)C ZINC000262802292 553176271 /nfs/dbraw/zinc/17/62/71/553176271.db2.gz RNRLLXMIEKVYHJ-PNPHSEOMSA-N 1 0 399.329 2.865 20 0 GFADRO C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)c1ccc(I)c(Cl)c1 ZINC000262796244 553176347 /nfs/dbraw/zinc/17/63/47/553176347.db2.gz OEIVQTINGFXRLI-DTWKUNHWSA-N 1 0 378.641 2.767 20 0 GFADRO Cc1c(C(=O)N[C@@H]2CC[NH2+][C@H](C)C2)cnn1-c1cccc(Br)c1 ZINC000262797029 553176450 /nfs/dbraw/zinc/17/64/50/553176450.db2.gz DTMQCHSVNGGJLT-BXUZGUMPSA-N 1 0 377.286 2.814 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)N1CC[NH2+][C@@H](C)[C@H]1C ZINC000262835715 553176905 /nfs/dbraw/zinc/17/69/05/553176905.db2.gz WFRJPJAPBBYZQP-RRFJBIMHSA-N 1 0 384.567 2.560 20 0 GFADRO CS(=O)(=O)Cc1ccc(C(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)o1 ZINC000263058257 553181504 /nfs/dbraw/zinc/18/15/04/553181504.db2.gz XSQGTICSGKPSSI-UHFFFAOYSA-N 1 0 376.356 2.554 20 0 GFADRO CC1(CNC(=O)Cc2csc(NC(=O)c3cccs3)n2)CC[NH2+]CC1 ZINC000263264472 553185361 /nfs/dbraw/zinc/18/53/61/553185361.db2.gz HBIYHUUYXVLOGK-UHFFFAOYSA-N 1 0 378.523 2.505 20 0 GFADRO C[C@H]1CCN(C(=O)NCc2cc(F)c(F)cc2Br)[C@H](C[NH3+])C1 ZINC000418173355 563900750 /nfs/dbraw/zinc/90/07/50/563900750.db2.gz BSDYJMIKUZZTMW-ONGXEEELSA-N 1 0 376.245 2.996 20 0 GFADRO C[C@@H]1CN(C(=O)c2ccsc2Br)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000450312484 564226884 /nfs/dbraw/zinc/22/68/84/564226884.db2.gz HSPFPFQGKIONOZ-OCCSQVGLSA-N 1 0 386.359 2.609 20 0 GFADRO COCC[N@@H+](Cc1ccc(Br)s1)C[C@H]1CCNC(=O)CC1 ZINC000450843625 564251183 /nfs/dbraw/zinc/25/11/83/564251183.db2.gz FSJGBAPQCGOHJH-GFCCVEGCSA-N 1 0 375.332 2.875 20 0 GFADRO O=C(c1ccc(I)cc1)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000564942158 564258476 /nfs/dbraw/zinc/25/84/76/564258476.db2.gz ITUFJSLIUIYATL-KGLIPLIRSA-N 1 0 384.261 2.753 20 0 GFADRO C[C@@H]([NH2+]CC(=O)Nc1ccccc1I)[C@H]1CCCOC1 ZINC000542577256 564317842 /nfs/dbraw/zinc/31/78/42/564317842.db2.gz YXBMZSIWRRUXQC-NEPJUHHUSA-N 1 0 388.249 2.634 20 0 GFADRO Cc1cc(Br)ccc1C[NH2+]C[C@@H]1CCCCN1S(C)(=O)=O ZINC000512992817 564416824 /nfs/dbraw/zinc/41/68/24/564416824.db2.gz NYBFPFTUOFTWCG-HNNXBMFYSA-N 1 0 375.332 2.661 20 0 GFADRO CC[NH+](CC)C[C@@H](C)NS(=O)(=O)c1cc(Br)c(C)cc1OC ZINC000480685654 564482736 /nfs/dbraw/zinc/48/27/36/564482736.db2.gz BABHBLGECOFIDQ-GFCCVEGCSA-N 1 0 393.347 2.775 20 0 GFADRO O=C(Cc1sccc1Br)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000294972659 563223781 /nfs/dbraw/zinc/22/37/81/563223781.db2.gz NIZSQCYINJCIQM-GFCCVEGCSA-N 1 0 387.343 2.670 20 0 GFADRO COCC[NH2+]CCNC(=O)N(Cc1cc(Br)ccc1F)C(C)C ZINC000418506335 563218409 /nfs/dbraw/zinc/21/84/09/563218409.db2.gz IBSOQEQHPLBXDP-UHFFFAOYSA-N 1 0 390.297 2.744 20 0 GFADRO C[NH+](C)C1(CNC(=O)Nc2ccc(F)cc2I)CC1 ZINC000602882861 565872586 /nfs/dbraw/zinc/87/25/86/565872586.db2.gz UXZOTGIWAVPEBG-UHFFFAOYSA-N 1 0 377.201 2.646 20 0 GFADRO CC[C@H]([NH2+]CCN(C)CCOC)c1ccc(I)cc1 ZINC000610809387 566101096 /nfs/dbraw/zinc/10/10/96/566101096.db2.gz SNCJAYUAZQFBPP-HNNXBMFYSA-N 1 0 376.282 2.910 20 0 GFADRO COc1ccc(S(=O)(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c(Br)c1 ZINC000280163357 563324946 /nfs/dbraw/zinc/32/49/46/563324946.db2.gz CDLVSDQTTZJASS-VXGBXAGGSA-N 1 0 391.331 2.561 20 0 GFADRO CN(Cc1ccc(Br)s1)C(=O)Nc1ccnn1CC[NH+](C)C ZINC000297542297 563329020 /nfs/dbraw/zinc/32/90/20/563329020.db2.gz WPMMEAQUQJPNGE-UHFFFAOYSA-N 1 0 386.319 2.933 20 0 GFADRO COCC[C@@H](CO)[NH2+]Cc1cc(Br)c(OC(F)F)c(OC)c1 ZINC000282106422 563397671 /nfs/dbraw/zinc/39/76/71/563397671.db2.gz DMKQYQXGTQXKEQ-JTQLQIEISA-N 1 0 384.217 2.546 20 0 GFADRO CC(C)OCCOC[C@@H](O)C[N@H+](C)Cc1cccc(Br)c1F ZINC000294702128 563212925 /nfs/dbraw/zinc/21/29/25/563212925.db2.gz FEPATTFSBKTWOH-AWEZNQCLSA-N 1 0 378.282 2.823 20 0 GFADRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)NCCc1c[nH]c2cccc(Br)c12 ZINC000418193641 563213205 /nfs/dbraw/zinc/21/32/05/563213205.db2.gz CKNOANJVTRKEDP-NWDGAFQWSA-N 1 0 379.302 2.865 20 0 GFADRO CC1(C)Cc2c(cccc2Br)[C@H]1NC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000418201561 563213572 /nfs/dbraw/zinc/21/35/72/563213572.db2.gz BCUDPJLHZIQYKN-BFQNTYOBSA-N 1 0 378.314 2.933 20 0 GFADRO C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)NCCc1c[nH]c2cccc(Br)c12 ZINC000418200946 563213608 /nfs/dbraw/zinc/21/36/08/563213608.db2.gz QYIMKVFUXXGYPX-NWDGAFQWSA-N 1 0 379.302 2.865 20 0 GFADRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)NCCc1c[nH]c2cccc(Br)c12 ZINC000418202941 563213642 /nfs/dbraw/zinc/21/36/42/563213642.db2.gz USJNMQNKUGTREY-RYUDHWBXSA-N 1 0 379.302 2.852 20 0 GFADRO Cc1nn(C)cc1[C@H](C)[NH2+][C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000277555163 563213663 /nfs/dbraw/zinc/21/36/63/563213663.db2.gz RGZOOMFKIGSZFB-ZBEGNZNMSA-N 1 0 377.286 2.947 20 0 GFADRO [NH3+]CCCOC1CCN(C(=O)NCCOc2ccc(Cl)c(Cl)c2)CC1 ZINC000418233574 563214279 /nfs/dbraw/zinc/21/42/79/563214279.db2.gz GVAZIVCYOUMKMR-UHFFFAOYSA-N 1 0 390.311 2.912 20 0 GFADRO CC(C)N(Cc1cccc(Br)c1)C(=O)NCCCN1CC[NH2+]CC1 ZINC000418286981 563215653 /nfs/dbraw/zinc/21/56/53/563215653.db2.gz JFLRLARLKDKCFR-UHFFFAOYSA-N 1 0 397.361 2.664 20 0 GFADRO C[NH2+]CCCNC(=O)N(Cc1cccc(Br)c1)C1CCOCC1 ZINC000418277347 563215772 /nfs/dbraw/zinc/21/57/72/563215772.db2.gz IFWKWBINRJSEDN-UHFFFAOYSA-N 1 0 384.318 2.749 20 0 GFADRO C[N@@H+]1CC[C@H](CNS(=O)(=O)c2ccc3c(c2)CCO3)[C@H]1c1cccs1 ZINC000369540259 563216320 /nfs/dbraw/zinc/21/63/20/563216320.db2.gz MUBFYOBLQOBKDW-KDOFPFPSSA-N 1 0 378.519 2.654 20 0 GFADRO C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)N[C@@H]2CCC[NH2+]C2)CC1 ZINC000418383802 563216539 /nfs/dbraw/zinc/21/65/39/563216539.db2.gz NZNSWNMSSRKEKS-WMLDXEAASA-N 1 0 395.345 2.589 20 0 GFADRO C[N@@H+]1CC[C@@H](CNS(=O)(=O)Cc2ccc(Cl)nc2)[C@@H]1c1cccs1 ZINC000369540412 563216682 /nfs/dbraw/zinc/21/66/82/563216682.db2.gz NROSXAXTZFXKLD-XJKSGUPXSA-N 1 0 385.942 2.909 20 0 GFADRO COc1ccc(NC(=O)CC[N@@H+]2CCCC[C@@H](S(C)(=O)=O)C2)cc1Cl ZINC000277632586 563218044 /nfs/dbraw/zinc/21/80/44/563218044.db2.gz BLHKTLDIDLSFKC-CQSZACIVSA-N 1 0 388.917 2.576 20 0 GFADRO CCC[NH2+]CCNC(=O)N1CCO[C@@H](c2ccc(Br)cc2)[C@H]1C ZINC000418464810 563218103 /nfs/dbraw/zinc/21/81/03/563218103.db2.gz BRPHFJXFCHDXNM-CZUORRHYSA-N 1 0 384.318 2.920 20 0 GFADRO COCCN(Cc1sccc1Br)C(=O)N[C@H]1CCC[NH2+][C@H]1C ZINC000418573968 563220304 /nfs/dbraw/zinc/22/03/04/563220304.db2.gz RHLYLEJYJNXTNB-AAEUAGOBSA-N 1 0 390.347 2.809 20 0 GFADRO CN1CCC2(CC[NH+](Cc3cc(Br)c4c(c3)OCCO4)CC2)C1=O ZINC000369649808 563220298 /nfs/dbraw/zinc/22/02/98/563220298.db2.gz SDACGALYAXCENU-UHFFFAOYSA-N 1 0 395.297 2.665 20 0 GFADRO O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)N1CCCC[C@H]1Cc1ccccc1Br ZINC000418675656 563222196 /nfs/dbraw/zinc/22/21/96/563222196.db2.gz RTJMVTHAVJCKGC-LJIGWXMPSA-N 1 0 378.314 2.774 20 0 GFADRO COC[C@@]1(CNC(=O)N(Cc2cccc(Br)c2)C2CC2)CCC[NH2+]1 ZINC000418650501 563222327 /nfs/dbraw/zinc/22/23/27/563222327.db2.gz FYIWQODLOGTUBU-SFHVURJKSA-N 1 0 396.329 2.892 20 0 GFADRO CC(C)[C@@](C)(NC(=O)NC[C@@H]1C[NH2+]CCO1)c1ccc(Br)cc1 ZINC000418755159 563224388 /nfs/dbraw/zinc/22/43/88/563224388.db2.gz BQLFUTZIPZWRBX-DOTOQJQBSA-N 1 0 384.318 2.608 20 0 GFADRO COc1cc(C[NH2+][C@H]2CC[C@@H](CO)C2)cc(I)c1OC ZINC000294984972 563224503 /nfs/dbraw/zinc/22/45/03/563224503.db2.gz GXLVSHMPFLGNNA-PWSUYJOCSA-N 1 0 391.249 2.559 20 0 GFADRO COc1ccc(Br)cc1CN(C)C(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000418762946 563224870 /nfs/dbraw/zinc/22/48/70/563224870.db2.gz MYVJWAFBGOWPOD-CYBMUJFWSA-N 1 0 392.244 2.596 20 0 GFADRO COC(=O)c1cc(CN(C)[C@@H](CO)c2cc(OC)ccc2Br)c[nH]1 ZINC000295014812 563225188 /nfs/dbraw/zinc/22/51/88/563225188.db2.gz MMZGTSNIPZPTQM-INIZCTEOSA-N 1 0 397.269 2.738 20 0 GFADRO C[C@H]1CCCN(C(=O)C(=O)N[C@@H]2C[C@H]2c2ccc(Cl)cc2Cl)[C@H]1C[NH3+] ZINC000418820046 563226577 /nfs/dbraw/zinc/22/65/77/563226577.db2.gz RQBWXGJLCUVTCZ-CEFQPYBMSA-N 1 0 384.307 2.551 20 0 GFADRO CCCN(C(=O)C(=O)N[C@H](C)c1cc(F)c(Cl)cc1Cl)[C@@H]1CC[NH2+]C1 ZINC000418840958 563227152 /nfs/dbraw/zinc/22/71/52/563227152.db2.gz FTMRHODRKUEHKM-GHMZBOCLSA-N 1 0 390.286 2.910 20 0 GFADRO C[C@@H](NC(=O)C(=O)N1CC[C@](C)(C[NH3+])C1)c1cc(F)c(Cl)cc1Cl ZINC000418833265 563227183 /nfs/dbraw/zinc/22/71/83/563227183.db2.gz IAIBQTKIEHBXMT-JDNHERCYSA-N 1 0 376.259 2.507 20 0 GFADRO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N[C@@H](C)c2cc(F)c(Cl)cc2Cl)C1 ZINC000418848179 563227368 /nfs/dbraw/zinc/22/73/68/563227368.db2.gz KVRANULRIABXDM-QWRGUYRKSA-N 1 0 390.286 2.768 20 0 GFADRO OCCCN1CCC[C@H]([NH2+]Cc2nc(-c3cccc(Br)c3)c[nH]2)C1 ZINC000295063511 563227660 /nfs/dbraw/zinc/22/76/60/563227660.db2.gz GSBHYAGVQUSLBA-INIZCTEOSA-N 1 0 393.329 2.776 20 0 GFADRO C[C@H](NC(=O)C(=O)N[C@H]1CC[C@@H](C[NH3+])C1)c1cc(F)c(Cl)cc1Cl ZINC000418852560 563227755 /nfs/dbraw/zinc/22/77/55/563227755.db2.gz RCUHSXXAQAYIEX-AEJSXWLSSA-N 1 0 376.259 2.553 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N[C@@H](C)c2cc(F)c(Cl)cc2Cl)C1 ZINC000418851723 563227784 /nfs/dbraw/zinc/22/77/84/563227784.db2.gz QAGRWSRGKWRUHD-OUAUKWLOSA-N 1 0 390.286 2.896 20 0 GFADRO CC[NH+](CC)[C@H](CNC(=O)c1c(Br)cnn1C)Cc1ccccc1 ZINC000295069671 563228321 /nfs/dbraw/zinc/22/83/21/563228321.db2.gz QYODXWZUPSAMBS-HNNXBMFYSA-N 1 0 393.329 2.866 20 0 GFADRO C[NH2+]CCN(C)C(=O)C(=O)NC[C@@H](Cc1ccc(Cl)cc1Cl)C(C)C ZINC000418857660 563228966 /nfs/dbraw/zinc/22/89/66/563228966.db2.gz SQFINPWSLXSZPE-CQSZACIVSA-N 1 0 388.339 2.602 20 0 GFADRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)N[C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000418896721 563229628 /nfs/dbraw/zinc/22/96/28/563229628.db2.gz VZUQGPANTOIXPH-ZMJPVWNMSA-N 1 0 384.307 2.551 20 0 GFADRO Cn1ncc(Br)c1C(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000295123931 563230121 /nfs/dbraw/zinc/23/01/21/563230121.db2.gz XQLSUPNXLCLDJV-UHFFFAOYSA-N 1 0 391.313 2.749 20 0 GFADRO CS(=O)(=O)c1ccc(Cl)c(C(=O)NC2CC[NH+](C3CCCC3)CC2)c1 ZINC000370083762 563232427 /nfs/dbraw/zinc/23/24/27/563232427.db2.gz TXYNZZHYBFDAPI-UHFFFAOYSA-N 1 0 384.929 2.880 20 0 GFADRO C[N@@H+]1CC[C@@H]2CCN(Cc3nc(Cc4cccc(Br)c4)no3)C[C@@H]21 ZINC000370083357 563232744 /nfs/dbraw/zinc/23/27/44/563232744.db2.gz QPHIVSMWVJEEQV-ZBFHGGJFSA-N 1 0 391.313 2.949 20 0 GFADRO CC[C@H](NC(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1)c1ccc(Cl)s1 ZINC000419043808 563233254 /nfs/dbraw/zinc/23/32/54/563233254.db2.gz RWACKJRCPVMFLX-KBPBESRZSA-N 1 0 383.945 2.959 20 0 GFADRO O=C(NCC[C@H]1CCC[NH2+]C1)C(=O)N[C@@H]1CCc2c1ccc(Cl)c2Cl ZINC000419093361 563233333 /nfs/dbraw/zinc/23/33/33/563233333.db2.gz IWXXLICSKVBGHP-IAQYHMDHSA-N 1 0 384.307 2.603 20 0 GFADRO C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCc3c2ccc(Cl)c3Cl)C[C@H]1C[NH3+] ZINC000419105792 563234031 /nfs/dbraw/zinc/23/40/31/563234031.db2.gz VEWRDOVXNQANMW-UEKVPHQBSA-N 1 0 384.307 2.540 20 0 GFADRO C[C@H](NC(=O)C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cccc(Cl)c1Cl ZINC000419236098 563235100 /nfs/dbraw/zinc/23/51/00/563235100.db2.gz ASTTXFYNBQEZOJ-ACJTYDJDSA-N 1 0 384.307 2.912 20 0 GFADRO C[NH2+]CC1CCN(C(=O)[C@@H]2CCCN(c3ccc(Br)cn3)C2)CC1 ZINC000370268150 563238464 /nfs/dbraw/zinc/23/84/64/563238464.db2.gz WBTOSVGUUDTLFA-OAHLLOKOSA-N 1 0 395.345 2.519 20 0 GFADRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)NCC(C)(C)c1ccc(Cl)c(Cl)c1 ZINC000419355801 563238603 /nfs/dbraw/zinc/23/86/03/563238603.db2.gz GWKZFJYVOOAEPF-IAQYHMDHSA-N 1 0 386.323 2.501 20 0 GFADRO C[C@@H]1CN(C(=O)NC/C=C\c2ccc(Br)cc2)[C@@H](C)C[N@@H+]1CCO ZINC000419519062 563240812 /nfs/dbraw/zinc/24/08/12/563240812.db2.gz FLWOHJUDPPKRMG-OVNWPICBSA-N 1 0 396.329 2.559 20 0 GFADRO O=C(CCN1CC[NH+]([C@H]2CCSC2)CC1)Nc1ccc(Br)cc1 ZINC000370408233 563242745 /nfs/dbraw/zinc/24/27/45/563242745.db2.gz YUGBLQAADWWWLG-INIZCTEOSA-N 1 0 398.370 2.901 20 0 GFADRO [NH3+]C[C@H](NC(=O)C(=O)NCc1cc(Cl)sc1Cl)C1CCCCC1 ZINC000419618335 563243697 /nfs/dbraw/zinc/24/36/97/563243697.db2.gz BRPHWDMVPJDOMV-NSHDSACASA-N 1 0 378.325 2.695 20 0 GFADRO C[C@@H](NC(=O)C(=O)N[C@@H]1CC[NH2+]C1)c1ccc(-c2ccc(Cl)cc2)s1 ZINC000419614954 563244029 /nfs/dbraw/zinc/24/40/29/563244029.db2.gz OQBPEPZXWFLAGF-BXUZGUMPSA-N 1 0 377.897 2.724 20 0 GFADRO O=C(NCC1CC[NH+](C2CC2)CC1)N[C@H](CO)c1cccc(Br)c1 ZINC000278189711 563244221 /nfs/dbraw/zinc/24/42/21/563244221.db2.gz OPKWLGYUUABWKV-QGZVFWFLSA-N 1 0 396.329 2.656 20 0 GFADRO O=C(Nc1cc(F)ccc1Br)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000370469801 563245026 /nfs/dbraw/zinc/24/50/26/563245026.db2.gz FKOXKGVGGSCGFF-GJZGRUSLSA-N 1 0 386.265 2.651 20 0 GFADRO C[C@H](C(=O)N[C@H]1CCC[N@H+](CCCO)C1)c1ccc(Br)s1 ZINC000295392767 563245293 /nfs/dbraw/zinc/24/52/93/563245293.db2.gz HSXUAIGSBLQELL-RYUDHWBXSA-N 1 0 375.332 2.577 20 0 GFADRO COc1ccc2c(c1)[C@](O)(C[NH2+]Cc1c(Br)c(C)nn1C)CCC2 ZINC000370510411 563246412 /nfs/dbraw/zinc/24/64/12/563246412.db2.gz XMMAHUWGTGKCOT-GOSISDBHSA-N 1 0 394.313 2.813 20 0 GFADRO CC1(C)[C@@H]2OCCC[C@H]2[C@]1([NH3+])C(=O)NCc1ccc(F)cc1Br ZINC000370516792 563246531 /nfs/dbraw/zinc/24/65/31/563246531.db2.gz FNFVGQNCQPGQOG-MRRJBJDNSA-N 1 0 385.277 2.737 20 0 GFADRO C[C@@H](CCNC(=O)c1c(Br)cnn1C)[N@H+](C)Cc1ccccc1 ZINC000295425468 563246954 /nfs/dbraw/zinc/24/69/54/563246954.db2.gz WFNXEJHBCBQFFB-ZDUSSCGKSA-N 1 0 379.302 2.823 20 0 GFADRO C[C@H]([NH2+]Cc1ccc(S(N)(=O)=O)c(Cl)c1)[C@@H]1OCCc2sccc21 ZINC000419741328 563248865 /nfs/dbraw/zinc/24/88/65/563248865.db2.gz CEEYUSZDFABQOE-QFYYESIMSA-N 1 0 386.926 2.841 20 0 GFADRO CCO[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000419741045 563249059 /nfs/dbraw/zinc/24/90/59/563249059.db2.gz YIOUGUSWFWZGBQ-ZIAGYGMSSA-N 1 0 391.331 2.534 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+]C[C@@H]2C[C@H]2c2ccccc2)cc1Br ZINC000419748715 563249274 /nfs/dbraw/zinc/24/92/74/563249274.db2.gz OXGDXBGNWRCRSW-GJZGRUSLSA-N 1 0 395.322 2.990 20 0 GFADRO CC[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000419755338 563249420 /nfs/dbraw/zinc/24/94/20/563249420.db2.gz QCDIFHCLRVQBBL-GLQYFDAESA-N 1 0 386.323 2.674 20 0 GFADRO CC[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000419754620 563249768 /nfs/dbraw/zinc/24/97/68/563249768.db2.gz PDOVMLBGYMUIRF-XFJVYGCCSA-N 1 0 386.323 2.545 20 0 GFADRO CC[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000419762726 563250448 /nfs/dbraw/zinc/25/04/48/563250448.db2.gz DXGIZZHANIZABK-DOMZBBRYSA-N 1 0 386.323 2.547 20 0 GFADRO CC[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000419760683 563250504 /nfs/dbraw/zinc/25/05/04/563250504.db2.gz ZZEPOULVCBOWQO-SGIREYDYSA-N 1 0 386.323 2.545 20 0 GFADRO C[C@@H](Cn1cc(Br)cn1)[NH2+]C1CCN(Cc2cscn2)CC1 ZINC000370638562 563250797 /nfs/dbraw/zinc/25/07/97/563250797.db2.gz YBQRPSKJTPPQQS-LBPRGKRZSA-N 1 0 384.347 2.745 20 0 GFADRO CCOc1ccc(C[NH2+]CC2CCN(S(=O)(=O)C(F)F)CC2)cc1F ZINC000278366313 563251697 /nfs/dbraw/zinc/25/16/97/563251697.db2.gz JMURJJLKGRUIKL-UHFFFAOYSA-N 1 0 380.432 2.578 20 0 GFADRO C[C@H]1C[N@H+](CCCNC(=O)/C=C/c2c(Cl)nc3sccn23)CCCO1 ZINC000278401704 563253579 /nfs/dbraw/zinc/25/35/79/563253579.db2.gz DNSOWQSHHGRTAT-IHVVCDCBSA-N 1 0 382.917 2.680 20 0 GFADRO O=C(Cc1cccc(Br)c1)NC[C@H]1CCC[C@@H]1[NH+]1CCOCC1 ZINC000370752706 563253680 /nfs/dbraw/zinc/25/36/80/563253680.db2.gz HRTWSVKZNDQEME-WBVHZDCISA-N 1 0 381.314 2.609 20 0 GFADRO O=C(NC[C@@H]1CCC[C@H]1[NH+]1CCOCC1)c1cc(Br)ccc1F ZINC000370757339 563253955 /nfs/dbraw/zinc/25/39/55/563253955.db2.gz HNERROGDSJATPB-BLLLJJGKSA-N 1 0 385.277 2.819 20 0 GFADRO O=C(Cc1ccc(F)c(Br)c1)NC[C@@H]1CCC[C@@H]1[NH+]1CCOCC1 ZINC000370764215 563254614 /nfs/dbraw/zinc/25/46/14/563254614.db2.gz XBALQGNTZGHBNO-YOEHRIQHSA-N 1 0 399.304 2.748 20 0 GFADRO CC[C@@H](NC(=O)[C@@H](C)C[NH2+]C)c1noc(-c2cccc(Br)c2)n1 ZINC000370772415 563254893 /nfs/dbraw/zinc/25/48/93/563254893.db2.gz LFJLABFWIABKJH-GXFFZTMASA-N 1 0 381.274 2.922 20 0 GFADRO C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CC=C(c2ccc(Cl)c(Cl)c2)CC1 ZINC000419986083 563255134 /nfs/dbraw/zinc/25/51/34/563255134.db2.gz XDZHHAACLRBOHC-LBPRGKRZSA-N 1 0 384.307 2.581 20 0 GFADRO C[C@@H](Cc1ccc(F)c(Br)c1)C(=O)NC[C@@](C)(O)CC[NH+](C)C ZINC000420010156 563256058 /nfs/dbraw/zinc/25/60/58/563256058.db2.gz GKHBUYZAFGOJPG-SJCJKPOMSA-N 1 0 389.309 2.586 20 0 GFADRO O=C(Cc1cc(Cl)ccc1Br)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000370806209 563256316 /nfs/dbraw/zinc/25/63/16/563256316.db2.gz OLAFUOBTERGWSB-KBPBESRZSA-N 1 0 387.705 2.624 20 0 GFADRO CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000420028445 563256735 /nfs/dbraw/zinc/25/67/35/563256735.db2.gz DGYZQMQXTCZYLH-XJKSGUPXSA-N 1 0 386.323 2.976 20 0 GFADRO CSc1ccc([C@@H](CNC(=O)c2c(Br)cnn2C)[NH+](C)C)cc1 ZINC000295676406 563257525 /nfs/dbraw/zinc/25/75/25/563257525.db2.gz VAGKKIIKXKLPOD-CQSZACIVSA-N 1 0 397.342 2.937 20 0 GFADRO COc1cc(C[NH2+][C@@]2(CCO)CCOC2)cc(Br)c1OC(F)F ZINC000278481818 563257907 /nfs/dbraw/zinc/25/79/07/563257907.db2.gz JNIPFGAUFIWHDI-HNNXBMFYSA-N 1 0 396.228 2.690 20 0 GFADRO O=C1[C@H](N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CCN1c1cccc(Br)c1 ZINC000278486483 563258088 /nfs/dbraw/zinc/25/80/88/563258088.db2.gz PDCPVTZCLYKCIZ-BFYDXBDKSA-N 1 0 378.314 2.771 20 0 GFADRO Cn1cc([C@H]2[C@H](CNC(=O)c3ccc(Br)o3)CCC[N@@H+]2C)cn1 ZINC000370922789 563259803 /nfs/dbraw/zinc/25/98/03/563259803.db2.gz LXUQVKXBEBHMBW-XHDPSFHLSA-N 1 0 381.274 2.589 20 0 GFADRO Cn1cc([C@@H]2[C@@H](CNC(=O)c3cccc(Br)c3)CCC[N@@H+]2C)cn1 ZINC000370917822 563259989 /nfs/dbraw/zinc/25/99/89/563259989.db2.gz PCKJIVUIBARGSB-PBHICJAKSA-N 1 0 391.313 2.996 20 0 GFADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NCc1ccc(Br)cc1 ZINC000278516616 563260398 /nfs/dbraw/zinc/26/03/98/563260398.db2.gz XJQUSUPDOWENPI-CQSZACIVSA-N 1 0 396.329 2.844 20 0 GFADRO O=c1c(Cl)c(Cl)cnn1-c1ccc(NC[C@H]2C[NH2+]CCO2)c(Cl)c1 ZINC000420273895 563261688 /nfs/dbraw/zinc/26/16/88/563261688.db2.gz DSRVJRQNUWQXBE-SNVBAGLBSA-N 1 0 389.670 2.593 20 0 GFADRO O=C1[C@@H](N2CCC[C@]3(CC[NH2+]C3)C2)CCN1c1cccc(Br)c1 ZINC000420348381 563262194 /nfs/dbraw/zinc/26/21/94/563262194.db2.gz LETVBYPURRHICN-FUHWJXTLSA-N 1 0 378.314 2.630 20 0 GFADRO C[NH+](C)C1(CNC(=O)N[C@@H]2COc3c2ccc(Cl)c3Cl)CCOCC1 ZINC000371057510 563263837 /nfs/dbraw/zinc/26/38/37/563263837.db2.gz WIKCNNDQGZIGOY-CYBMUJFWSA-N 1 0 388.295 2.837 20 0 GFADRO Cc1sc(Br)cc1S(=O)(=O)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420458199 563264587 /nfs/dbraw/zinc/26/45/87/563264587.db2.gz IRMYVHNIJGSUIN-NEPJUHHUSA-N 1 0 393.372 2.972 20 0 GFADRO O=CN1CCC([NH2+]C2CCN(Cc3ccc(Br)cc3)CC2)CC1 ZINC000278649702 563264756 /nfs/dbraw/zinc/26/47/56/563264756.db2.gz IBTRTPMGDNRCTN-UHFFFAOYSA-N 1 0 380.330 2.624 20 0 GFADRO COc1ccc(S(=O)(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)c(Cl)c1 ZINC000420472223 563264937 /nfs/dbraw/zinc/26/49/37/563264937.db2.gz SBQWERMAUIBJHV-XJKSGUPXSA-N 1 0 384.860 2.603 20 0 GFADRO Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c(Br)c1 ZINC000420470764 563265083 /nfs/dbraw/zinc/26/50/83/563265083.db2.gz XNVIDQHXAFBYGJ-UKRRQHHQSA-N 1 0 387.343 2.910 20 0 GFADRO Cc1cc(Br)ccc1S(=O)(=O)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420472501 563265183 /nfs/dbraw/zinc/26/51/83/563265183.db2.gz ZLSUMHWJOVAMJI-ZFWWWQNUSA-N 1 0 387.343 2.910 20 0 GFADRO O=S(=O)(c1ccc(Br)c(F)c1)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420468269 563265321 /nfs/dbraw/zinc/26/53/21/563265321.db2.gz UCQJIPXTCIEONN-NHYWBVRUSA-N 1 0 391.306 2.741 20 0 GFADRO C[C@@H]1CCN(S(=O)(=O)Cc2ccc(Cl)cc2Br)C[C@H]1C[NH3+] ZINC000420482091 563266192 /nfs/dbraw/zinc/26/61/92/563266192.db2.gz SFOPXBMDDTXGHK-ZYHUDNBSSA-N 1 0 395.750 2.849 20 0 GFADRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)c1c(Br)cnn1C ZINC000295871388 563266441 /nfs/dbraw/zinc/26/64/41/563266441.db2.gz PBHJSRHZORBSMT-AWEZNQCLSA-N 1 0 391.313 2.919 20 0 GFADRO C[NH+](C)CCN(Cc1ccsc1)C(=O)C(=O)NCc1ccccc1Cl ZINC000420608609 563268266 /nfs/dbraw/zinc/26/82/66/563268266.db2.gz HNBQJYWDZOORNH-UHFFFAOYSA-N 1 0 379.913 2.608 20 0 GFADRO Cc1c(Br)ccc(C(=O)N2CC[NH+](C3CCOCC3)CC2)c1F ZINC000278828302 563272279 /nfs/dbraw/zinc/27/22/79/563272279.db2.gz VNJKJHPCJDRQFS-UHFFFAOYSA-N 1 0 385.277 2.833 20 0 GFADRO C[NH+]1CCC2(CCCN2C(=O)c2cccc(I)c2)CC1 ZINC000371313533 563272463 /nfs/dbraw/zinc/27/24/63/563272463.db2.gz IFQBLQOKESZRHZ-UHFFFAOYSA-N 1 0 384.261 2.992 20 0 GFADRO C[N@@H+]1C[C@@H]2CN(S(=O)(=O)c3cncc(Cl)c3)C[C@@H]2[C@@H]1c1ccccc1 ZINC000371371498 563275181 /nfs/dbraw/zinc/27/51/81/563275181.db2.gz SEMYLGSLWMJVNT-JLSDUUJJSA-N 1 0 377.897 2.658 20 0 GFADRO O=C(Nc1cnc2c(c1)C[NH2+]CC2)c1cc(=O)[nH]c2c(Br)cccc12 ZINC000371454441 563277828 /nfs/dbraw/zinc/27/78/28/563277828.db2.gz HLPLOSAHBCPHIX-UHFFFAOYSA-N 1 0 399.248 2.996 20 0 GFADRO CCn1cc(Br)cc1C(=O)N1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000371468220 563278605 /nfs/dbraw/zinc/27/86/05/563278605.db2.gz ACUXGFVNSAIJCT-CQSZACIVSA-N 1 0 397.361 2.511 20 0 GFADRO O=C(CC[NH2+][C@@H](c1cc(Cl)ccc1Cl)[C@H]1CCOC1)N1CCOCC1 ZINC000371480543 563278635 /nfs/dbraw/zinc/27/86/35/563278635.db2.gz PARCHPIWVGRTNG-SCLBCKFNSA-N 1 0 387.307 2.910 20 0 GFADRO Cc1cc(Br)c(S(=O)(=O)NC2CCC([NH+](C)C)CC2)s1 ZINC000420719263 563278756 /nfs/dbraw/zinc/27/87/56/563278756.db2.gz AMOIIQDVVUVLKK-UHFFFAOYSA-N 1 0 381.361 2.970 20 0 GFADRO O=C(Cc1ccc(I)cc1)NCC1CC[NH+](C2CC2)CC1 ZINC000278989961 563278895 /nfs/dbraw/zinc/27/88/95/563278895.db2.gz DYYACXAEQHWDCO-UHFFFAOYSA-N 1 0 398.288 2.824 20 0 GFADRO COC(=O)c1cc(Cl)c(C)c(S(=O)(=O)NC2CCC([NH+](C)C)CC2)c1 ZINC000420743094 563282085 /nfs/dbraw/zinc/28/20/85/563282085.db2.gz JXYSWAHUXZRPNP-UHFFFAOYSA-N 1 0 388.917 2.586 20 0 GFADRO CCc1cc(N2CCC[C@@H]([NH2+]Cc3c(Br)c(C)nn3C)C2)ncn1 ZINC000279073870 563282642 /nfs/dbraw/zinc/28/26/42/563282642.db2.gz GIQNERGIEYEZBF-CQSZACIVSA-N 1 0 393.333 2.602 20 0 GFADRO Cc1nn(C)c(CNCc2cccc(OCC[NH+](C)C)c2)c1Br ZINC000279087182 563283044 /nfs/dbraw/zinc/28/30/44/563283044.db2.gz HWESJRBRNRFCER-UHFFFAOYSA-N 1 0 381.318 2.721 20 0 GFADRO COc1ccc([C@H](C)NC(=O)c2cc([C@H]3CC[NH2+]C3)n[nH]2)cc1Br ZINC000279080644 563283164 /nfs/dbraw/zinc/28/31/64/563283164.db2.gz VBIRCNCNASVZQD-JQWIXIFHSA-N 1 0 393.285 2.749 20 0 GFADRO C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1)c1nc(C(F)(F)F)cs1 ZINC000279132665 563285017 /nfs/dbraw/zinc/28/50/17/563285017.db2.gz YKDJZBAWESMEBL-JQWIXIFHSA-N 1 0 377.432 2.983 20 0 GFADRO CC(C)[N@@H+]1CCc2nc(CN3CCN([C@@H](C)C(F)(F)F)CC3)sc2C1 ZINC000371803509 563287833 /nfs/dbraw/zinc/28/78/33/563287833.db2.gz QEQAQFCDBDLBMP-ZDUSSCGKSA-N 1 0 376.492 2.978 20 0 GFADRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)N[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000420846617 563287861 /nfs/dbraw/zinc/28/78/61/563287861.db2.gz VKIXOJKAYYZWTH-DOTOQJQBSA-N 1 0 395.345 2.763 20 0 GFADRO CCO[C@@H](CC[NH+](C)C)CNC(=O)c1c(F)ccc(C)c1Br ZINC000279218890 563287905 /nfs/dbraw/zinc/28/79/05/563287905.db2.gz QCDKJZZEVGPPMW-LBPRGKRZSA-N 1 0 375.282 2.983 20 0 GFADRO C[C@@H]1C[C@H]([NH+]2CCN(CC(=O)Nc3ccc(Br)cc3)CC2)CCO1 ZINC000420930298 563291150 /nfs/dbraw/zinc/29/11/50/563291150.db2.gz DWODZZDSCXBBIX-RHSMWYFYSA-N 1 0 396.329 2.573 20 0 GFADRO CC[C@H]([NH2+][C@@H](CC)[C@H](O)C(F)F)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000296532705 563291477 /nfs/dbraw/zinc/29/14/77/563291477.db2.gz QNYGEUHJTNXGOM-OBJOEFQTSA-N 1 0 384.876 2.693 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1c(F)cccc1I ZINC000371934369 563291691 /nfs/dbraw/zinc/29/16/91/563291691.db2.gz SJMWGBOKLOUKHM-GHMZBOCLSA-N 1 0 388.224 2.787 20 0 GFADRO COC1([C@H](C)[NH2+]CC(=O)N[C@@H](C)c2ccc(Br)cc2)CCOCC1 ZINC000421039360 563294080 /nfs/dbraw/zinc/29/40/80/563294080.db2.gz VHCFKQFQULJMFL-KBPBESRZSA-N 1 0 399.329 2.800 20 0 GFADRO O=C1CNC(=O)N1CCC[N@H+]1CCCC[C@H]1Cc1cccc(Br)c1 ZINC000421035733 563294237 /nfs/dbraw/zinc/29/42/37/563294237.db2.gz IEQCGFDCXJAPIA-INIZCTEOSA-N 1 0 394.313 2.788 20 0 GFADRO COCC[C@@H](NCc1cn(CC(=O)OC)nn1)c1ccc(Cl)c(Cl)c1 ZINC000296689914 563297077 /nfs/dbraw/zinc/29/70/77/563297077.db2.gz HLYQKRMICMLVFL-OAHLLOKOSA-N 1 0 387.267 2.625 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2C(=O)c1ccc(F)cc1Br ZINC000372164966 563298003 /nfs/dbraw/zinc/29/80/03/563298003.db2.gz OHRZJUJDDDULDA-DAXOMENPSA-N 1 0 385.277 2.912 20 0 GFADRO O=C1C[C@@]2(CC[N@@H+](Cc3nc(-c4ccc(Br)cc4)c[nH]3)C2)CN1 ZINC000279496521 563298157 /nfs/dbraw/zinc/29/81/57/563298157.db2.gz VMAUNDWGWJSERW-KRWDZBQOSA-N 1 0 375.270 2.551 20 0 GFADRO Clc1ccc(Cc2nnc(NC3CC[NH+]([C@H]4CCOC4)CC3)s2)cc1 ZINC000372260328 563300603 /nfs/dbraw/zinc/30/06/03/563300603.db2.gz HVXURRHPDWWQGN-INIZCTEOSA-N 1 0 378.929 3.448 20 0 GFADRO CN(C(=O)c1cc(Cl)c(N)c(Cl)c1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000372331428 563302363 /nfs/dbraw/zinc/30/23/63/563302363.db2.gz ITQGBOSTXGHYCJ-AWEZNQCLSA-N 1 0 385.339 2.816 20 0 GFADRO Cc1ccnc(-c2n[nH]c([C@@H](C)[NH2+][C@H](C)Cn3cc(Br)cn3)n2)c1 ZINC000279617691 563303590 /nfs/dbraw/zinc/30/35/90/563303590.db2.gz YAJSVJZRAYWSMW-VXGBXAGGSA-N 1 0 390.289 2.873 20 0 GFADRO C[C@@H]1CN(C(=O)CSc2ccc(Cl)cc2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000372364714 563304097 /nfs/dbraw/zinc/30/40/97/563304097.db2.gz HCQJYXJFHNWFCM-CRAIPNDOSA-N 1 0 381.973 2.917 20 0 GFADRO Cc1cc(C(C)(C)C(=O)NCC[NH+]2CCC(O)CC2)ccc1Br ZINC000296844929 563304241 /nfs/dbraw/zinc/30/42/41/563304241.db2.gz HEPQKABZJCXPEQ-UHFFFAOYSA-N 1 0 383.330 2.608 20 0 GFADRO C[C@@H]1CN(C(=O)CSc2ccc(Cl)cc2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000372364719 563304175 /nfs/dbraw/zinc/30/41/75/563304175.db2.gz HCQJYXJFHNWFCM-QAPCUYQASA-N 1 0 381.973 2.917 20 0 GFADRO Cc1cc(NC(=O)C(=O)NC2CCC([NH+](C)C)CC2)ccc1Br ZINC000421289436 563305087 /nfs/dbraw/zinc/30/50/87/563305087.db2.gz QCGGJQOOIGJAOX-UHFFFAOYSA-N 1 0 382.302 2.685 20 0 GFADRO O=C(CNC(=O)c1ccc(Cl)c(Cl)c1)NC1CC[NH+](C2CCC2)CC1 ZINC000296862627 563305363 /nfs/dbraw/zinc/30/53/63/563305363.db2.gz GRBSMALDOWFEMJ-UHFFFAOYSA-N 1 0 384.307 2.856 20 0 GFADRO NC(=O)[C@@H]([NH2+]C1CCN(c2nccs2)CC1)c1cccc(Br)c1 ZINC000279713822 563307622 /nfs/dbraw/zinc/30/76/22/563307622.db2.gz SYKSBBLBTVJWSA-AWEZNQCLSA-N 1 0 395.326 2.691 20 0 GFADRO C[C@H](CC(=O)NCC[NH+]1CCC(O)CC1)c1ccc(F)c(Br)c1 ZINC000296910336 563307781 /nfs/dbraw/zinc/30/77/81/563307781.db2.gz KYTBCDNWDFUMBU-GFCCVEGCSA-N 1 0 387.293 2.655 20 0 GFADRO COc1cc(C[NH2+]C[C@H]2CC23CCSCC3)cc(Cl)c1OCC(N)=O ZINC000421356665 563308501 /nfs/dbraw/zinc/30/85/01/563308501.db2.gz XXAOCIDAWQIVKN-CYBMUJFWSA-N 1 0 384.929 2.836 20 0 GFADRO CCCN1C[C@@H](C[NH2+]Cc2cn(-c3cccc(Cl)c3Cl)nn2)CC1=O ZINC000421352271 563308612 /nfs/dbraw/zinc/30/86/12/563308612.db2.gz NUFVQCWISUXAPK-GFCCVEGCSA-N 1 0 382.295 2.922 20 0 GFADRO CN(C)C(=O)CN1CCC([NH2+]C2CC(c3ccc(Br)cc3)C2)CC1 ZINC000279754532 563308757 /nfs/dbraw/zinc/30/87/57/563308757.db2.gz QISFXJTZMOLOFK-UHFFFAOYSA-N 1 0 394.357 2.837 20 0 GFADRO Cc1ccc(F)c(C(=O)NCC2(O)CC[NH+](C(C)C)CC2)c1Br ZINC000279767236 563309509 /nfs/dbraw/zinc/30/95/09/563309509.db2.gz FOAZQKGJRYKLHF-UHFFFAOYSA-N 1 0 387.293 2.862 20 0 GFADRO O=S(=O)(C[C@@H](O)C[NH2+][C@@H]1CCCc2nc(Cl)ccc21)c1cccs1 ZINC000297005803 563312124 /nfs/dbraw/zinc/31/21/24/563312124.db2.gz SYWZWNQJISJQBR-WCQYABFASA-N 1 0 386.926 2.598 20 0 GFADRO O=S(=O)(C[C@H](O)C[NH2+][C@H]1CCCc2nc(Cl)ccc21)c1cccs1 ZINC000297005808 563312172 /nfs/dbraw/zinc/31/21/72/563312172.db2.gz SYWZWNQJISJQBR-YPMHNXCESA-N 1 0 386.926 2.598 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1CNCC1([NH+](C)C)CCC1 ZINC000297002272 563312446 /nfs/dbraw/zinc/31/24/46/563312446.db2.gz WGEYNSCSPTZNCV-ZDUSSCGKSA-N 1 0 398.345 2.536 20 0 GFADRO C[C@@H](CO)[N@@H+]1CCCN(C(=O)Nc2ccc(Cl)cc2OC(F)F)CC1 ZINC000372722689 563315208 /nfs/dbraw/zinc/31/52/08/563315208.db2.gz ZIHWMCNNTZVHDG-NSHDSACASA-N 1 0 377.819 2.862 20 0 GFADRO O=C(c1ccc(F)c(I)c1)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000372785616 563317205 /nfs/dbraw/zinc/31/72/05/563317205.db2.gz HFTHWPRGPKXNIE-GFCCVEGCSA-N 1 0 388.224 2.741 20 0 GFADRO Cc1nccn1CCC[NH2+][C@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000280052363 563320330 /nfs/dbraw/zinc/32/03/30/563320330.db2.gz JQMGODBXLDDXNO-SNVBAGLBSA-N 1 0 391.324 2.887 20 0 GFADRO CN(C)c1cc[nH+]cc1C(=O)N(C)C[C@@H](O)c1ccccc1Br ZINC000297237506 563320822 /nfs/dbraw/zinc/32/08/22/563320822.db2.gz SAODPLBXVMDKAX-MRXNPFEDSA-N 1 0 378.270 2.716 20 0 GFADRO CS(=O)(=O)c1ccc(C(=O)NCc2cccc(C[NH+]3CCCC3)c2)s1 ZINC000421741488 563321362 /nfs/dbraw/zinc/32/13/62/563321362.db2.gz CCLHJGWULWETKO-UHFFFAOYSA-N 1 0 378.519 2.677 20 0 GFADRO COc1cc(Cl)ccc1[C@H](C)[NH2+]C[C@H]1CCCCN1S(=O)(=O)N(C)C ZINC000421851541 563323334 /nfs/dbraw/zinc/32/33/34/563323334.db2.gz GLHBNEUDLLHPRY-DZGCQCFKSA-N 1 0 389.949 2.660 20 0 GFADRO COCC[N@@H+]1CC[C@H](Nc2cc(Br)cc(C(=O)N3CCCC3)c2)C1 ZINC000280132871 563323761 /nfs/dbraw/zinc/32/37/61/563323761.db2.gz QJWVRWOEMSUQRI-INIZCTEOSA-N 1 0 396.329 2.818 20 0 GFADRO Cc1c(Br)cccc1CC(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000373248951 563333166 /nfs/dbraw/zinc/33/31/66/563333166.db2.gz ZZBXSQDDNQBUKR-UHFFFAOYSA-N 1 0 391.313 3.402 20 0 GFADRO CN1CC[NH+](C[C@H]2CCCN(C(=O)[C@@H]3C[C@H]3c3ccc(Cl)s3)C2)CC1 ZINC000373264778 563333451 /nfs/dbraw/zinc/33/34/51/563333451.db2.gz RCSSXXMNRJXLKO-BZUAXINKSA-N 1 0 381.973 2.991 20 0 GFADRO CN1CCN(C2CC[NH+](Cc3cnc(-c4cccs4)s3)CC2)C(=O)C1 ZINC000373295655 563333744 /nfs/dbraw/zinc/33/37/44/563333744.db2.gz HIVJESXJZGVJFY-UHFFFAOYSA-N 1 0 376.551 2.610 20 0 GFADRO CC(C)[NH+]1CCC(NC(=O)N(C)C[C@H](O)c2ccccc2Br)CC1 ZINC000297865092 563338418 /nfs/dbraw/zinc/33/84/18/563338418.db2.gz QDCZYUTVGCFJPR-KRWDZBQOSA-N 1 0 398.345 2.997 20 0 GFADRO CC(C)(O)CC(=O)NC1CC[NH+](CCOc2ccc(Br)cc2)CC1 ZINC000280475704 563339130 /nfs/dbraw/zinc/33/91/30/563339130.db2.gz ULNBFEOKJHRKDG-UHFFFAOYSA-N 1 0 399.329 2.570 20 0 GFADRO O=C(Nc1cc(Br)c(F)cc1F)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000297925578 563340202 /nfs/dbraw/zinc/34/02/02/563340202.db2.gz VECPJMHYZLADKK-SNVBAGLBSA-N 1 0 392.244 2.696 20 0 GFADRO CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000297936731 563340398 /nfs/dbraw/zinc/34/03/98/563340398.db2.gz VEQRCIWLSBLKAD-DZGCQCFKSA-N 1 0 383.945 2.693 20 0 GFADRO C[C@@H]1CN(CCOc2ccccc2Br)CCN1C1CC[NH+](C)CC1 ZINC000373528980 563341616 /nfs/dbraw/zinc/34/16/16/563341616.db2.gz KFUVOPWZWQWQNC-MRXNPFEDSA-N 1 0 396.373 2.928 20 0 GFADRO C[C@@H]([NH3+])[C@@H](Cc1ccccc1)NCC(=O)Nc1ccc(Br)cc1 ZINC000422697034 563348372 /nfs/dbraw/zinc/34/83/72/563348372.db2.gz TXVBELQXIBXDIE-CXAGYDPISA-N 1 0 376.298 2.936 20 0 GFADRO CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N(C)Cc2cc(Cl)cc(Cl)c2)C1 ZINC000298260023 563349245 /nfs/dbraw/zinc/34/92/45/563349245.db2.gz FUUAZTQGZFBGKV-CYBMUJFWSA-N 1 0 386.323 2.752 20 0 GFADRO C[C@@H](NCC(C)(C)S(=O)(=O)c1ccc(Br)cc1)[C@@H]1CCC[NH2+]1 ZINC000422759582 563349411 /nfs/dbraw/zinc/34/94/11/563349411.db2.gz LBSDRWGICUCENT-DOMZBBRYSA-N 1 0 389.359 2.732 20 0 GFADRO C[N@@H+]1CC[C@@H](CNC(=O)NCCOCC(F)F)[C@H]1c1cccc(Cl)c1 ZINC000373759639 563349507 /nfs/dbraw/zinc/34/95/07/563349507.db2.gz WFSLFQFJVUQTDP-XJKSGUPXSA-N 1 0 375.847 2.914 20 0 GFADRO C[C@H]([NH2+]CCCNC(=O)c1cccc(Br)c1)c1cnccc1N ZINC000422863811 563350166 /nfs/dbraw/zinc/35/01/66/563350166.db2.gz SGURKSFAPKVQSV-LBPRGKRZSA-N 1 0 377.286 2.727 20 0 GFADRO C[C@H](C[C@@H]1COCCN1)[NH2+]CC1(c2cccc(Br)c2)CCOCC1 ZINC000422944532 563351296 /nfs/dbraw/zinc/35/12/96/563351296.db2.gz MLFRYUXSMHKCCH-CRAIPNDOSA-N 1 0 397.357 2.854 20 0 GFADRO CN(Cc1cccc(Cl)c1Cl)C(=O)C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000423000903 563352233 /nfs/dbraw/zinc/35/22/33/563352233.db2.gz WEHYZVPPFXTVHH-UHFFFAOYSA-N 1 0 384.307 2.554 20 0 GFADRO C[C@H]1CC[NH2+][C@H](C(=O)N2CCN(C(=O)c3cc(Cl)cc(Cl)c3)CC2)C1 ZINC000422980362 563352281 /nfs/dbraw/zinc/35/22/81/563352281.db2.gz LRQGIYIPIBSJMP-LRDDRELGSA-N 1 0 384.307 2.666 20 0 GFADRO C[C@H]1CC[NH2+][C@H](C(=O)N2CCN(C(=O)c3cccc(Cl)c3Cl)CC2)C1 ZINC000422996056 563352623 /nfs/dbraw/zinc/35/26/23/563352623.db2.gz SCECJABZNHUGAM-WFASDCNBSA-N 1 0 384.307 2.666 20 0 GFADRO CSc1nc(C)c(CCC(=O)NC[C@@H](c2ccsc2)[NH+](C)C)c(=O)[nH]1 ZINC000298374055 563353105 /nfs/dbraw/zinc/35/31/05/563353105.db2.gz OQTAUFAQPGZPNZ-AWEZNQCLSA-N 1 0 380.539 2.626 20 0 GFADRO Brc1cc2c(c(CN[C@@H]3CCOC[C@@H]3[C@H]3CCC[NH2+]3)c1)OCC2 ZINC000423049734 563353502 /nfs/dbraw/zinc/35/35/02/563353502.db2.gz KPKKUJAZUDSJND-BRWVUGGUSA-N 1 0 381.314 2.631 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N(Cc2cccs2)Cc2cccs2)C1 ZINC000423018304 563353543 /nfs/dbraw/zinc/35/35/43/563353543.db2.gz QSFYRHRLLXEBPL-UONOGXRCSA-N 1 0 377.535 2.534 20 0 GFADRO CN(CC1CC[NH+](C)CC1)C(=O)c1cnnn1-c1c(Cl)cccc1Cl ZINC000280781003 563353897 /nfs/dbraw/zinc/35/38/97/563353897.db2.gz SWBVWVDVTOWREM-UHFFFAOYSA-N 1 0 382.295 2.988 20 0 GFADRO CC(C)CCOCC[NH2+][C@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000280787453 563353931 /nfs/dbraw/zinc/35/39/31/563353931.db2.gz SVDQXIVRGPXDKK-GFCCVEGCSA-N 1 0 393.347 2.810 20 0 GFADRO C[NH2+][C@H]1CCCN(C(=O)C(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000423093095 563354369 /nfs/dbraw/zinc/35/43/69/563354369.db2.gz FTRHNTFXKLEQNH-XJKSGUPXSA-N 1 0 384.307 2.867 20 0 GFADRO CC(C)[C@@H](CNC(=O)Nc1cccc(Br)c1)[NH+]1CCN(C)CC1 ZINC000298423917 563354395 /nfs/dbraw/zinc/35/43/95/563354395.db2.gz WOHZICJPIITNBY-MRXNPFEDSA-N 1 0 383.334 2.843 20 0 GFADRO COc1cc(I)c(Cl)cc1CN[C@H](C)C1C[NH2+]C1 ZINC000423092535 563354768 /nfs/dbraw/zinc/35/47/68/563354768.db2.gz CGJVBRYQQKHFFC-MRVPVSSYSA-N 1 0 380.657 2.651 20 0 GFADRO CC[NH+]1CCC(NC(=O)N(C)C[C@H](O)c2cccc(Br)c2)CC1 ZINC000298445543 563355401 /nfs/dbraw/zinc/35/54/01/563355401.db2.gz XTGKYJFZCYAOSO-INIZCTEOSA-N 1 0 384.318 2.608 20 0 GFADRO CN(Cc1c(Cl)cccc1Cl)C(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000423096621 563355653 /nfs/dbraw/zinc/35/56/53/563355653.db2.gz HVIDHNRCHPHARU-MKBNYLNASA-N 1 0 384.307 2.538 20 0 GFADRO CC(C)[C@H]([NH2+]CCC(=O)Nc1ccc(Br)cc1)c1nncn1C ZINC000298509005 563357473 /nfs/dbraw/zinc/35/74/73/563357473.db2.gz KMBAYTBGZUAFRA-HNNXBMFYSA-N 1 0 380.290 2.893 20 0 GFADRO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N(Cc2ccc(Cl)c(Cl)c2)C(C)C)C1 ZINC000423162365 563358049 /nfs/dbraw/zinc/35/80/49/563358049.db2.gz KVCJRDMPOGADTQ-AWEZNQCLSA-N 1 0 386.323 2.798 20 0 GFADRO C[C@@H]1CC[NH2+][C@H](C(=O)NCc2noc(-c3cccc(Br)c3)n2)C1 ZINC000423928161 563364129 /nfs/dbraw/zinc/36/41/29/563364129.db2.gz KHEKNFUYUWPYBI-MFKMUULPSA-N 1 0 379.258 2.503 20 0 GFADRO C[NH+]1CCN(c2ccc(CNC(=O)CCc3ccc(Cl)s3)cn2)CC1 ZINC000298715023 563364890 /nfs/dbraw/zinc/36/48/90/563364890.db2.gz JKUWBZXNJPVHJO-UHFFFAOYSA-N 1 0 378.929 2.797 20 0 GFADRO COc1ccc(C(=O)N[C@@H](C[NH3+])C2CCCC2)c(I)c1 ZINC000423967645 563365827 /nfs/dbraw/zinc/36/58/27/563365827.db2.gz SYVXOEVEFARNII-AWEZNQCLSA-N 1 0 388.249 2.547 20 0 GFADRO C[C@H]1CN(C(=O)c2cccn2-c2ccc(I)cc2)C[C@H]1[NH3+] ZINC000423967417 563365862 /nfs/dbraw/zinc/36/58/62/563365862.db2.gz XKXUKBPQCRGGML-SMDDNHRTSA-N 1 0 395.244 2.501 20 0 GFADRO O=C(c1ccccc1I)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000423964492 563365864 /nfs/dbraw/zinc/36/58/64/563365864.db2.gz QHWPYGXPEMQISB-DOMZBBRYSA-N 1 0 384.261 2.895 20 0 GFADRO O=C(NC[C@@H]1C[NH2+]CCO1)C1(c2cccc(Br)c2)CCCCC1 ZINC000423993984 563366149 /nfs/dbraw/zinc/36/61/49/563366149.db2.gz RMJFAEATBLUSFE-INIZCTEOSA-N 1 0 381.314 2.756 20 0 GFADRO COc1ccc(Br)cc1CC(=O)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000423976204 563366308 /nfs/dbraw/zinc/36/63/08/563366308.db2.gz ONJQPTYOUKEIBK-XJKSGUPXSA-N 1 0 381.314 2.991 20 0 GFADRO C[C@@H]1CCN(C(=O)c2cn(-c3ccc(Br)cc3)cn2)C[C@@H]1C[NH3+] ZINC000423990588 563366504 /nfs/dbraw/zinc/36/65/04/563366504.db2.gz CRERTYKZSLPEHM-OLZOCXBDSA-N 1 0 377.286 2.692 20 0 GFADRO COc1ccc(C(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)cc1Br ZINC000423969237 563366544 /nfs/dbraw/zinc/36/65/44/563366544.db2.gz IUQMGHUKIXQFGL-GOEBONIOSA-N 1 0 375.266 2.943 20 0 GFADRO O=S(=O)(c1c[nH]c2ncccc12)N1CCNC[C@H]1c1ccccc1Cl ZINC000374310416 563367296 /nfs/dbraw/zinc/36/72/96/563367296.db2.gz KHDBGZSNFVGRDG-HNNXBMFYSA-N 1 0 376.869 2.552 20 0 GFADRO C[C@@H]1CCN(C(=O)c2ccc(S(=O)(=O)c3ccccc3)s2)C[C@H]1C[NH3+] ZINC000424030251 563367914 /nfs/dbraw/zinc/36/79/14/563367914.db2.gz ZUACAACBACNOHE-ZIAGYGMSSA-N 1 0 378.519 2.638 20 0 GFADRO C[C@H]([NH2+][C@@H](C)c1ccc(Br)cn1)c1ccc(S(N)(=O)=O)cc1 ZINC000281232139 563370779 /nfs/dbraw/zinc/37/07/79/563370779.db2.gz UTVYJTSJIGRYHS-QWRGUYRKSA-N 1 0 384.299 2.903 20 0 GFADRO Cn1cc(Br)cc1C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000298976610 563372301 /nfs/dbraw/zinc/37/23/01/563372301.db2.gz FJBPWOYFTDYMMX-UHFFFAOYSA-N 1 0 377.286 2.577 20 0 GFADRO COc1ncc(C(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)cc1Br ZINC000424196603 563373424 /nfs/dbraw/zinc/37/34/24/563373424.db2.gz NGFUKQUCEDBODI-DZGCQCFKSA-N 1 0 394.244 2.559 20 0 GFADRO O=C(C[C@@H]1Sc2ccc(Cl)cc2NC1=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000374503321 563374585 /nfs/dbraw/zinc/37/45/85/563374585.db2.gz HSUDNJIGYVJBCP-HNNXBMFYSA-N 1 0 379.913 2.745 20 0 GFADRO COc1ccc([C@@H](C)[NH2+]C[C@H]2CCCCN2S(=O)(=O)N(C)C)c(Cl)c1 ZINC000424344270 563376010 /nfs/dbraw/zinc/37/60/10/563376010.db2.gz GOYMAQGASXKYGQ-ZIAGYGMSSA-N 1 0 389.949 2.660 20 0 GFADRO C[C@@H]1CC2(CN1S(=O)(=O)Cc1ccc(Br)cc1)CC[NH2+]CC2 ZINC000424386234 563377047 /nfs/dbraw/zinc/37/70/47/563377047.db2.gz DVWJOSBDWILGAI-CYBMUJFWSA-N 1 0 387.343 2.743 20 0 GFADRO CN(C)c1noc([C@@H]2CCC[N@H+](C[C@@H](O)c3cccc(Br)c3)C2)n1 ZINC000374621251 563377847 /nfs/dbraw/zinc/37/78/47/563377847.db2.gz VGQBWYPQMALBDP-UKRRQHHQSA-N 1 0 395.301 2.811 20 0 GFADRO C[C@H]1CC2(CN1S(=O)(=O)c1sccc1Br)CC[NH2+]CC2 ZINC000424391064 563378022 /nfs/dbraw/zinc/37/80/22/563378022.db2.gz MIHJNYQRDXZHRM-JTQLQIEISA-N 1 0 379.345 2.663 20 0 GFADRO CC(C)N(C)S(=O)(=O)c1ccc(C[NH2+]Cc2cnc(N(C)C)s2)cc1 ZINC000299223338 563378526 /nfs/dbraw/zinc/37/85/26/563378526.db2.gz MARFLBMRGXKFJZ-UHFFFAOYSA-N 1 0 382.555 2.528 20 0 GFADRO COCC[NH+]1CCC(NC(=O)C2(c3cccc(Br)c3)CC2)CC1 ZINC000299228992 563378609 /nfs/dbraw/zinc/37/86/09/563378609.db2.gz FICUDIWLTULHQQ-UHFFFAOYSA-N 1 0 381.314 2.708 20 0 GFADRO CO[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(I)cc2)CC1 ZINC000374643114 563378956 /nfs/dbraw/zinc/37/89/56/563378956.db2.gz DUIGAGQJCYTXAQ-CQSZACIVSA-N 1 0 388.249 2.731 20 0 GFADRO Cc1csc([C@@](O)(CC(=O)NCCC[NH+]2CCCCC2)C(F)(F)F)n1 ZINC000299319539 563381556 /nfs/dbraw/zinc/38/15/56/563381556.db2.gz GRODKJGQIFMPJO-HNNXBMFYSA-N 1 0 379.448 2.584 20 0 GFADRO O=C(Cc1noc2ccc(Br)cc21)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000424597391 563383026 /nfs/dbraw/zinc/38/30/26/563383026.db2.gz HPIJABGPLSZHII-OLZOCXBDSA-N 1 0 378.270 2.876 20 0 GFADRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)C(=O)Nc1cc(Cl)c(N)c(Cl)c1 ZINC000299442022 563383454 /nfs/dbraw/zinc/38/34/54/563383454.db2.gz YIYJSTQBLGLZKQ-GFCCVEGCSA-N 1 0 387.311 2.847 20 0 GFADRO CS(=O)(=O)N1CC[C@@H](C[N@@H+]2CCC[C@@H](COc3ccccc3Cl)C2)C1 ZINC000374868721 563384023 /nfs/dbraw/zinc/38/40/23/563384023.db2.gz NCFISJRUJBHHBN-JKSUJKDBSA-N 1 0 386.945 2.712 20 0 GFADRO C[N@@H+]1CCCC12CCN(C(=O)c1cc(Br)c3c(c1)OCCO3)CC2 ZINC000374881414 563384928 /nfs/dbraw/zinc/38/49/28/563384928.db2.gz VYYGIQIAKJBGSN-UHFFFAOYSA-N 1 0 395.297 2.921 20 0 GFADRO C[NH+](C)C[C@](C)(O)CNC(=O)Cc1csc2ccc(Br)cc12 ZINC000281734970 563385848 /nfs/dbraw/zinc/38/58/48/563385848.db2.gz XMNUFTSEDIIMBD-MRXNPFEDSA-N 1 0 385.327 2.635 20 0 GFADRO Cn1cc(CN2CCC[C@H]2C(=O)N2CCSCC2)c(-c2cccs2)n1 ZINC000375017953 563387763 /nfs/dbraw/zinc/38/77/63/563387763.db2.gz IHLHCVZSFVTYFX-HNNXBMFYSA-N 1 0 376.551 2.688 20 0 GFADRO C[C@H]1C[N@@H+](C2CCN(Cc3nc4ccccn4c3Br)CC2)CCO1 ZINC000375082147 563389693 /nfs/dbraw/zinc/38/96/93/563389693.db2.gz RBDGCDJBMWNTTO-AWEZNQCLSA-N 1 0 393.329 2.782 20 0 GFADRO Cc1sc(C(=O)NC(C)(C)CC[NH+]2CCN(C)CC2)cc1Br ZINC000424765801 563390796 /nfs/dbraw/zinc/39/07/96/563390796.db2.gz DCJUGJBHDRCVHP-UHFFFAOYSA-N 1 0 388.375 2.965 20 0 GFADRO COC(=O)c1ccc(C[NH2+]C(C)(C)COc2ncccc2Br)nc1 ZINC000299727017 563390931 /nfs/dbraw/zinc/39/09/31/563390931.db2.gz VCWTXMACRXHZKB-UHFFFAOYSA-N 1 0 394.269 2.973 20 0 GFADRO CC(C)[C@@H]1CN(C(=O)Cc2noc3ccc(Br)cc32)CC[N@@H+]1C ZINC000424800305 563392018 /nfs/dbraw/zinc/39/20/18/563392018.db2.gz IPIUZFCPJCLNMD-HNNXBMFYSA-N 1 0 380.286 2.931 20 0 GFADRO C[N@@H+]1CCC[C@@H](CCNC(=O)Cc2noc3ccc(Br)cc32)C1 ZINC000424896845 563396093 /nfs/dbraw/zinc/39/60/93/563396093.db2.gz RKKPABMKMKKDTR-LBPRGKRZSA-N 1 0 380.286 2.981 20 0 GFADRO COCC(C)(C)[NH+]1CCN(C(=O)Cc2cc(F)ccc2Br)CC1 ZINC000424991366 563399759 /nfs/dbraw/zinc/39/97/59/563399759.db2.gz OAKZXAZCLVYEQY-UHFFFAOYSA-N 1 0 387.293 2.700 20 0 GFADRO COCC(C)(C)[NH+]1CCN(C(=O)Cc2cscc2Br)CC1 ZINC000424991225 563399929 /nfs/dbraw/zinc/39/99/29/563399929.db2.gz NJIDFOFLOAISGK-UHFFFAOYSA-N 1 0 375.332 2.622 20 0 GFADRO C[N@@H+]1C[C@@H]2CCCN(C(=O)CCOc3ccc(Br)cc3F)[C@@H]2C1 ZINC000425055943 563402488 /nfs/dbraw/zinc/40/24/88/563402488.db2.gz IQWFILYLXQNQIO-SWLSCSKDSA-N 1 0 385.277 2.910 20 0 GFADRO CNS(=O)(=O)c1ccc(NC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)nc1 ZINC000301421478 563402881 /nfs/dbraw/zinc/40/28/81/563402881.db2.gz NRNGGTZQMUKUDO-DYVFJYSZSA-N 1 0 380.539 2.546 20 0 GFADRO CN(CC[NH+](C)C)c1ccc(Br)cc1NC(=O)C[C@H]1CCCO1 ZINC000425100843 563404552 /nfs/dbraw/zinc/40/45/52/563404552.db2.gz WJHXYIXBYKKWMI-CQSZACIVSA-N 1 0 384.318 2.955 20 0 GFADRO Cc1cc(C(=O)Nc2cc(Br)ccc2N(C)CC[NH+](C)C)cnn1 ZINC000425096934 563404781 /nfs/dbraw/zinc/40/47/81/563404781.db2.gz GMHQAONLMNXVRQ-UHFFFAOYSA-N 1 0 392.301 2.798 20 0 GFADRO Cn1nc(Br)c2c1ncnc2N(CC[NH+](C)C)Cc1cccs1 ZINC000301673167 563409607 /nfs/dbraw/zinc/40/96/07/563409607.db2.gz ZTXLNTPXVMDVGH-UHFFFAOYSA-N 1 0 395.330 2.756 20 0 GFADRO C[N@@H+]1C[C@@H]2CN(S(=O)(=O)c3ccc4ccccc4c3Br)C[C@@H]2C1 ZINC000425197987 563410150 /nfs/dbraw/zinc/41/01/50/563410150.db2.gz ZVJYZUPTLITTEB-OKILXGFUSA-N 1 0 395.322 2.784 20 0 GFADRO CCNC(=O)N1CCN(c2cc[nH+]c3cc(OC)c(Br)cc32)CC1 ZINC000425208696 563411121 /nfs/dbraw/zinc/41/11/21/563411121.db2.gz NNSZNHKLBBKOCX-UHFFFAOYSA-N 1 0 393.285 2.857 20 0 GFADRO COc1cc2[nH+]ccc(N[C@@H](CO)C[C@@H](O)C(C)(C)C)c2cc1Br ZINC000425248578 563415052 /nfs/dbraw/zinc/41/50/52/563415052.db2.gz ABTSNLAXKLWUSE-PIGZYNQJSA-N 1 0 397.313 2.998 20 0 GFADRO COc1cc2[nH+]ccc(N3C[C@H](CO)OC(C)(C)C3)c2cc1Br ZINC000425256757 563415611 /nfs/dbraw/zinc/41/56/11/563415611.db2.gz BUBNCOPLWZXJTK-LLVKDONJSA-N 1 0 381.270 2.982 20 0 GFADRO CCc1n[nH]c(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1Br ZINC000375742389 563417112 /nfs/dbraw/zinc/41/71/12/563417112.db2.gz IBUIYZAUVWGPGQ-RISCZKNCSA-N 1 0 381.318 2.824 20 0 GFADRO C[C@H]1CN(C(=O)c2cc(Br)ccc2F)CCN1C1CC[NH+](C)CC1 ZINC000375789799 563418516 /nfs/dbraw/zinc/41/85/16/563418516.db2.gz JUHMCNVQOIWNAU-ZDUSSCGKSA-N 1 0 398.320 2.829 20 0 GFADRO Cc1nc(NCc2cccnc2N2CC[NH+](C)CC2)ccc1Br ZINC000302084284 563420269 /nfs/dbraw/zinc/42/02/69/563420269.db2.gz MUUQOTOWORHPFF-UHFFFAOYSA-N 1 0 376.302 2.911 20 0 GFADRO C[C@H](O)C[NH+]1CCC(CN(C)c2ccnc3cc(Br)cnc32)CC1 ZINC000302104171 563420786 /nfs/dbraw/zinc/42/07/86/563420786.db2.gz MRUGENFPTRSLAT-ZDUSSCGKSA-N 1 0 393.329 2.921 20 0 GFADRO C[NH+](C)C1CCN(CCNC(=O)C(C)(C)c2ccccc2Br)CC1 ZINC000282709969 563422069 /nfs/dbraw/zinc/42/20/69/563422069.db2.gz KZUVRRZSXUYWCN-UHFFFAOYSA-N 1 0 396.373 2.869 20 0 GFADRO C[C@H](CC[NH+]1CCN(C)CC1)Nc1ncnc2ccc(Br)cc21 ZINC000302291225 563424637 /nfs/dbraw/zinc/42/46/37/563424637.db2.gz WSIIYXRUOSUXAV-CYBMUJFWSA-N 1 0 378.318 2.830 20 0 GFADRO COCCCn1nccc1C[NH2+]Cc1cc(Br)c(OC)c(OC)c1 ZINC000282802607 563424822 /nfs/dbraw/zinc/42/48/22/563424822.db2.gz ZNLLNYIKVFWAOM-UHFFFAOYSA-N 1 0 398.301 2.989 20 0 GFADRO CC(C)[C@H](CNCc1ncc(I)s1)[NH+]1CCCC1 ZINC000302538385 563426246 /nfs/dbraw/zinc/42/62/46/563426246.db2.gz IXMJPOYPMILSNV-NSHDSACASA-N 1 0 379.311 2.958 20 0 GFADRO CSCc1noc(CCC(=O)N[C@H](C[NH+](C)C)c2ccc(Cl)cc2)n1 ZINC000283038440 563433843 /nfs/dbraw/zinc/43/38/43/563433843.db2.gz UXPTUBNFJKEGBB-CQSZACIVSA-N 1 0 382.917 2.938 20 0 GFADRO CCCN1CCCN(c2c(Br)cccc2S(C)(=O)=O)CC1 ZINC000376221814 563433846 /nfs/dbraw/zinc/43/38/46/563433846.db2.gz NUWGDLALSJYXQO-UHFFFAOYSA-N 1 0 375.332 2.775 20 0 GFADRO Cc1cc(NC(=O)[C@H]2C[C@@]23CC[NH2+]C3)n(-c2cccc(Br)c2)n1 ZINC000376245543 563434578 /nfs/dbraw/zinc/43/45/78/563434578.db2.gz SHYUAPSLRNHHNC-RHSMWYFYSA-N 1 0 375.270 2.881 20 0 GFADRO Cn1ncc(C(=O)N[C@@H](C[NH+](C)C)c2ccc(Cl)cc2)c1Br ZINC000283092944 563435061 /nfs/dbraw/zinc/43/50/61/563435061.db2.gz ZDBUQOABRCANNK-ZDUSSCGKSA-N 1 0 385.693 2.869 20 0 GFADRO C[NH+](C)C[C@H]1CCN(C(=O)N[C@H]2COc3cc(F)c(Br)cc32)C1 ZINC000283170864 563437317 /nfs/dbraw/zinc/43/73/17/563437317.db2.gz NGGBULBEZJLGHD-YGRLFVJLSA-N 1 0 386.265 2.615 20 0 GFADRO C[C@H]([NH2+]CC1CC(F)(F)C1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000425935503 563440728 /nfs/dbraw/zinc/44/07/28/563440728.db2.gz DPYDRSXGMJOWRF-QMMMGPOBSA-N 1 0 383.258 2.792 20 0 GFADRO CC[C@@]1(O)CC[N@H+](C[C@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000425926213 563440982 /nfs/dbraw/zinc/44/09/82/563440982.db2.gz XJGLMVMUGRIAAS-SWLSCSKDSA-N 1 0 378.694 2.689 20 0 GFADRO COC(=O)c1ccc(Br)cc1CN1CCC[C@H](CNC(C)=O)C1 ZINC000283381257 563443156 /nfs/dbraw/zinc/44/31/56/563443156.db2.gz CTWOXDZHHFZDPE-CYBMUJFWSA-N 1 0 383.286 2.584 20 0 GFADRO COc1cc(Br)c(C[N@@H+]2CC[C@H](Cc3cnn(C)c3)C2)cc1O ZINC000376535629 563445369 /nfs/dbraw/zinc/44/53/69/563445369.db2.gz OJMRJPHNTSAGKM-GFCCVEGCSA-N 1 0 380.286 2.961 20 0 GFADRO [NH3+]C1(C(=O)N[C@@H]2CCOc3ccc(Br)cc32)Cc2ccccc2C1 ZINC000376526100 563445447 /nfs/dbraw/zinc/44/54/47/563445447.db2.gz DIQBCBXCYVBVNX-MRXNPFEDSA-N 1 0 387.277 2.885 20 0 GFADRO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)C[N@H+](C)[C@@H]1CCCC[C@H]1O ZINC000426211274 563447271 /nfs/dbraw/zinc/44/72/71/563447271.db2.gz SNWBEHGXSDKFQH-ZIAGYGMSSA-N 1 0 389.279 2.954 20 0 GFADRO CC[N@H+](CCNC(=O)C(=O)Nc1cc(C)c(Br)c(C)c1)C(C)C ZINC000426275102 563447995 /nfs/dbraw/zinc/44/79/95/563447995.db2.gz BVJFVXBTTLESJJ-UHFFFAOYSA-N 1 0 384.318 2.851 20 0 GFADRO Cc1cc(NC(=O)C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@H]2C)cc(C)c1Br ZINC000426286375 563448124 /nfs/dbraw/zinc/44/81/24/563448124.db2.gz NOFSLBFKVDXEJY-IUODEOHRSA-N 1 0 394.313 2.603 20 0 GFADRO COc1ccc(Br)c(CC(=O)Nc2ccn(-c3cc[nH+]cc3)n2)c1 ZINC000426381167 563450170 /nfs/dbraw/zinc/45/01/70/563450170.db2.gz VUDRVVSJIQTQRJ-UHFFFAOYSA-N 1 0 387.237 3.220 20 0 GFADRO Cc1cc(NC(=O)c2cn(C3CC[NH2+]CC3)nn2)cc(C)c1Br ZINC000323277426 563451017 /nfs/dbraw/zinc/45/10/17/563451017.db2.gz HSUMUKPWZJEJED-UHFFFAOYSA-N 1 0 378.274 2.834 20 0 GFADRO COC(=O)c1ccc(C[NH2+][C@H]2CCN(c3cccc(Br)c3)C2)[nH]1 ZINC000426537140 563452846 /nfs/dbraw/zinc/45/28/46/563452846.db2.gz DZOXCPJGIBNAJB-AWEZNQCLSA-N 1 0 378.270 2.932 20 0 GFADRO O=S(=O)(c1cc(C(F)(F)F)ccc1Cl)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000326786224 563455776 /nfs/dbraw/zinc/45/57/76/563455776.db2.gz PWMPVEVYAGXRDQ-PHIMTYICSA-N 1 0 382.835 2.979 20 0 GFADRO CC(C)[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1CSCN1C(=O)c1ccc(Cl)cc1 ZINC000426799451 563455823 /nfs/dbraw/zinc/45/58/23/563455823.db2.gz KUUUJXFERPTIGE-BBRMVZONSA-N 1 0 383.945 2.700 20 0 GFADRO COc1c(Br)cccc1C[NH2+][C@@H]1CCCc2c1cnn2CCO ZINC000376941878 563459513 /nfs/dbraw/zinc/45/95/13/563459513.db2.gz VDFWTBQSJVFEIU-OAHLLOKOSA-N 1 0 380.286 2.814 20 0 GFADRO Cc1cc(Br)c(S(=O)(=O)N2CC[C@@H](c3nccn3C)C2)s1 ZINC000328764884 563464989 /nfs/dbraw/zinc/46/49/89/563464989.db2.gz GPKLBFBKRQTFIW-SNVBAGLBSA-N 1 0 390.328 2.731 20 0 GFADRO CC[N@H+](CCOc1ccc(Br)cc1)C[C@@H]1CCCS(=O)(=O)C1 ZINC000284143299 563465531 /nfs/dbraw/zinc/46/55/31/563465531.db2.gz OXXXSHMKTPUSJM-AWEZNQCLSA-N 1 0 390.343 2.975 20 0 GFADRO C[NH+]1CCC([C@@H]2CCN(C(=O)c3[nH]nc(C4CC4)c3Br)C2)CC1 ZINC000328772660 563465556 /nfs/dbraw/zinc/46/55/56/563465556.db2.gz JULLUIKDJPRXJB-CYBMUJFWSA-N 1 0 381.318 2.854 20 0 GFADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)Nc1cc(F)c(Br)cc1F ZINC000377180017 563466330 /nfs/dbraw/zinc/46/63/30/563466330.db2.gz XAHVVGFSEIUOBV-NXEZZACHSA-N 1 0 390.228 2.712 20 0 GFADRO C[NH+](C)[C@@H]1CCCN(C(=O)C(C)(C)S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000377203324 563466774 /nfs/dbraw/zinc/46/67/74/563466774.db2.gz HTELVWGAZWKKDX-OAHLLOKOSA-N 1 0 386.945 2.835 20 0 GFADRO CN(C)Cc1cc(NC(=O)[C@H]2COCCN2CC(F)(F)F)ccc1Cl ZINC000377207512 563466879 /nfs/dbraw/zinc/46/68/79/563466879.db2.gz KTSQURSVLPCYHR-CQSZACIVSA-N 1 0 379.810 2.603 20 0 GFADRO COCCOC[C@@H]1CC[N@H+](Cc2ccc(C(=O)OC)cc2Br)C1 ZINC000284414327 563474061 /nfs/dbraw/zinc/47/40/61/563474061.db2.gz QRYHGSWPKAGCKM-CYBMUJFWSA-N 1 0 386.286 2.721 20 0 GFADRO COC(=O)c1ccc(C[NH2+]CCc2cn3c(n2)SCC3)c(Br)c1 ZINC000284442037 563474794 /nfs/dbraw/zinc/47/47/94/563474794.db2.gz SXGDXZIEOJKEOO-UHFFFAOYSA-N 1 0 396.310 2.870 20 0 GFADRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2S(=O)(=O)c2ccc(Br)c(F)c2)C1 ZINC000427804134 563475957 /nfs/dbraw/zinc/47/59/57/563475957.db2.gz XJLDLFPVWXVNHG-XHDPSFHLSA-N 1 0 391.306 2.693 20 0 GFADRO C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000377536281 563478263 /nfs/dbraw/zinc/47/82/63/563478263.db2.gz RYQQBUAEFWVTAR-KZULUSFZSA-N 1 0 384.307 2.714 20 0 GFADRO CN(C1C[C@H]2CC[C@@H](C1)[NH2+]2)S(=O)(=O)c1cccc(OC(F)(F)F)c1F ZINC000427937935 563478953 /nfs/dbraw/zinc/47/89/53/563478953.db2.gz MKJFVGLNHFHWGT-ZACCUICWSA-N 1 0 382.379 2.628 20 0 GFADRO CN(C(=O)c1cc2c(cc1Br)NC(=O)CO2)[C@H]1C[NH+]2CCC1CC2 ZINC000329348288 563479071 /nfs/dbraw/zinc/47/90/71/563479071.db2.gz VXORDKNICDIOCA-AWEZNQCLSA-N 1 0 394.269 2.596 20 0 GFADRO O=C(Cc1csc(-c2ccc(Cl)s2)n1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000377562945 563479359 /nfs/dbraw/zinc/47/93/59/563479359.db2.gz LTRWLNJSAVOEOA-ZDUSSCGKSA-N 1 0 396.969 2.574 20 0 GFADRO CS(=O)(=O)N1CC(C[NH2+][C@@H]2CCC[C@@H]2c2ccc(C(F)(F)F)cc2)C1 ZINC000427978607 563479823 /nfs/dbraw/zinc/47/98/23/563479823.db2.gz DIDLZHDYBPEOQX-HZPDHXFCSA-N 1 0 376.444 2.823 20 0 GFADRO O=C1NC(=O)N2CCN(Cc3coc(-c4ccc(Br)cc4)n3)C[C@H]12 ZINC000329436849 563479897 /nfs/dbraw/zinc/47/98/97/563479897.db2.gz MAXIRUJJQYDAJR-CYBMUJFWSA-N 1 0 391.225 2.680 20 0 GFADRO OC[C@H]1CCC[N@@H+]1C[C@H]1CCCN1Cc1nc2ccccn2c1Br ZINC000377615205 563480484 /nfs/dbraw/zinc/48/04/84/563480484.db2.gz LCCMICVNAQPNBK-HUUCEWRRSA-N 1 0 393.329 2.518 20 0 GFADRO Cc1cc(Br)ccc1C(=O)N1CCC([NH2+]C[C@@H](O)C2CC2)CC1 ZINC000377619152 563480522 /nfs/dbraw/zinc/48/05/22/563480522.db2.gz CDBVWDWFWIQDNU-QGZVFWFLSA-N 1 0 381.314 2.723 20 0 GFADRO COc1ccc(CN2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)c(Br)c1 ZINC000377657077 563482324 /nfs/dbraw/zinc/48/23/24/563482324.db2.gz TUAOHSOGSCVKJZ-HNAYVOBHSA-N 1 0 396.373 2.916 20 0 GFADRO O=C1NC[C@H]2C[N@H+](Cc3ncc(-c4cccc(Br)c4)o3)CC[C@H]12 ZINC000377663884 563482664 /nfs/dbraw/zinc/48/26/64/563482664.db2.gz CWZOLRCMOWTGHS-JSGCOSHPSA-N 1 0 376.254 2.672 20 0 GFADRO C[C@@H](Nc1c(F)cc(S(N)(=O)=O)cc1Br)C(C)(C)C[NH+](C)C ZINC000428168071 563484468 /nfs/dbraw/zinc/48/44/68/563484468.db2.gz ZQMRLVDRWPRMFQ-SECBINFHSA-N 1 0 396.326 2.624 20 0 GFADRO C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@H]1NC(=O)Cc1cccc(Br)c1 ZINC000377738188 563485002 /nfs/dbraw/zinc/48/50/02/563485002.db2.gz GSXAATAGJHNNKT-ZTFGCOKTSA-N 1 0 395.341 2.997 20 0 GFADRO C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@@H]1NC(=O)Cc1cccc(Br)c1 ZINC000377738186 563485090 /nfs/dbraw/zinc/48/50/90/563485090.db2.gz GSXAATAGJHNNKT-OLMNPRSZSA-N 1 0 395.341 2.997 20 0 GFADRO NC(=O)c1ncc(Br)cc1NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000329972795 563492141 /nfs/dbraw/zinc/49/21/41/563492141.db2.gz ZGFPDBBSIYZITG-NSHDSACASA-N 1 0 383.290 2.640 20 0 GFADRO Cc1ccc(S(=O)(=O)N(C)C2CCN(c3cc[nH+]cc3)CC2)c(Cl)n1 ZINC000378036145 563494129 /nfs/dbraw/zinc/49/41/29/563494129.db2.gz BEURXRBTQRCPCA-UHFFFAOYSA-N 1 0 380.901 2.728 20 0 GFADRO [NH3+]C[C@H]1CCCN(C(=O)[C@H](c2ccc(Cl)cc2Cl)N2CCOCC2)C1 ZINC000428515941 563494444 /nfs/dbraw/zinc/49/44/44/563494444.db2.gz LBVZBUJFCIKRGJ-DYVFJYSZSA-N 1 0 386.323 2.564 20 0 GFADRO CN(C)c1ncc(C[NH2+]C[C@@H](CO)Cc2cccc(Br)c2)s1 ZINC000428537131 563494752 /nfs/dbraw/zinc/49/47/52/563494752.db2.gz MWZKZBRMCRYAQW-ZDUSSCGKSA-N 1 0 384.343 2.912 20 0 GFADRO Cc1[nH]nc2ncc(C[NH2+]C[C@H](CO)Cc3ccc(Br)cc3)cc12 ZINC000428544547 563495181 /nfs/dbraw/zinc/49/51/81/563495181.db2.gz HMELHSGGTMQINP-OAHLLOKOSA-N 1 0 389.297 2.970 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C(=O)N1CCn2cncc2C1 ZINC000378111853 563496577 /nfs/dbraw/zinc/49/65/77/563496577.db2.gz UMHMLOGRDIUSJB-UHFFFAOYSA-N 1 0 386.253 2.796 20 0 GFADRO C[N@@H+]1CCC[C@@H](CNS(=O)(=O)CCC2CCOCC2)[C@H]1c1cccs1 ZINC000330305390 563500698 /nfs/dbraw/zinc/50/06/98/563500698.db2.gz QPOOLSYIYJCYQB-WMZOPIPTSA-N 1 0 386.583 2.867 20 0 GFADRO O=C(NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1)N[C@@H](CO)CC(F)F ZINC000428754951 563501480 /nfs/dbraw/zinc/50/14/80/563501480.db2.gz VAFKOTFIVXWHFG-CABCVRRESA-N 1 0 375.847 2.792 20 0 GFADRO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cnnn1-c1c(Cl)cccc1Cl ZINC000330350337 563501987 /nfs/dbraw/zinc/50/19/87/563501987.db2.gz KYGNVYWMTLRYAP-RYUDHWBXSA-N 1 0 380.279 2.883 20 0 GFADRO Cn1cc([C@H](O)C[C@H]2CCC[N@@H+]2C[C@@H](O)c2cccc(Br)c2)cn1 ZINC000378361904 563504514 /nfs/dbraw/zinc/50/45/14/563504514.db2.gz UDNQEXADYYBCIP-KZNAEPCWSA-N 1 0 394.313 2.804 20 0 GFADRO O=C(NC1CC[NH+](CC2(O)CCCCC2)CC1)c1cccnc1Br ZINC000378395070 563505192 /nfs/dbraw/zinc/50/51/92/563505192.db2.gz ZGHDJWRSPAPKAZ-UHFFFAOYSA-N 1 0 396.329 2.734 20 0 GFADRO Cc1nnc(COCC(=O)Nc2nc(CN3CCC[C@@H](C)C3)cs2)s1 ZINC000285155288 563505505 /nfs/dbraw/zinc/50/55/05/563505505.db2.gz QJQSQUHBZFNBTO-LLVKDONJSA-N 1 0 381.527 2.690 20 0 GFADRO O=S1(=O)CC[C@]2(C1)C[C@H]([NH2+]Cc1csc(-c3cccs3)n1)CCO2 ZINC000378465984 563507403 /nfs/dbraw/zinc/50/74/03/563507403.db2.gz YZOHJYUJMDGJDN-MLGOLLRUSA-N 1 0 384.548 2.698 20 0 GFADRO C[C@@H]1C[C@@H]1[N@@H+]1CCN(C[C@H](O)COc2ccc(Br)cc2)C[C@@H](C)C1 ZINC000429020953 563507786 /nfs/dbraw/zinc/50/77/86/563507786.db2.gz OKGOBCATRVZFEO-RRIFGTCXSA-N 1 0 397.357 2.851 20 0 GFADRO C[N@@H+]1CC[C@]2(CCN(CCS(=O)(=O)c3cc(Cl)ccc3Cl)C2)C1 ZINC000429027630 563508634 /nfs/dbraw/zinc/50/86/34/563508634.db2.gz BGIAHJCTKMPWKC-INIZCTEOSA-N 1 0 377.337 2.795 20 0 GFADRO CCS(=O)(=O)NCC[NH2+][C@H](c1cc(Cl)ccc1Cl)[C@@H]1CCOC1 ZINC000378472394 563508612 /nfs/dbraw/zinc/50/86/12/563508612.db2.gz JALDLDFCKDYJHZ-ABAIWWIYSA-N 1 0 381.325 2.600 20 0 GFADRO Cc1nc(NC(=O)c2ccc(C[NH+](C)C)nc2)ccc1I ZINC000429056035 563509396 /nfs/dbraw/zinc/50/93/96/563509396.db2.gz VWPSDIMDZUMBGQ-UHFFFAOYSA-N 1 0 396.232 2.704 20 0 GFADRO [NH3+]C[C@@H]1CCN(C(=O)c2cccn2-c2cccc(I)c2)C1 ZINC000429072775 563509479 /nfs/dbraw/zinc/50/94/79/563509479.db2.gz DIYDRNNQVDUOEE-LBPRGKRZSA-N 1 0 395.244 2.503 20 0 GFADRO CC(C)[NH+]1CCC(NC(=O)[C@@H](C)NC(=O)c2ccc(Br)cc2)CC1 ZINC000330527548 563509696 /nfs/dbraw/zinc/50/96/96/563509696.db2.gz MKKVVGHHVMBKDH-CYBMUJFWSA-N 1 0 396.329 2.556 20 0 GFADRO CC[NH2+]CCNC(=O)c1ccc(OCc2cc(C)on2)c(Br)c1 ZINC000429099552 563510219 /nfs/dbraw/zinc/51/02/19/563510219.db2.gz NHTRDEPYBFVNJD-UHFFFAOYSA-N 1 0 382.258 2.664 20 0 GFADRO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)[C@@H](c1ccc(Cl)cc1Cl)N1CCOCC1 ZINC000429136446 563510965 /nfs/dbraw/zinc/51/09/65/563510965.db2.gz RPSWZCAZZKLJMS-JCURWCKSSA-N 1 0 386.323 2.610 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)N1CCC[C@@](O)(C(F)(F)F)CC1)c1cccs1 ZINC000285262628 563511664 /nfs/dbraw/zinc/51/16/64/563511664.db2.gz ZXYAIMDMUXSLEB-WFASDCNBSA-N 1 0 379.448 2.840 20 0 GFADRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)C(=O)Nc1ccc(Br)c(C)c1 ZINC000330596719 563512710 /nfs/dbraw/zinc/51/27/10/563512710.db2.gz YLMJLZCOWIRODZ-LNSITVRQSA-N 1 0 382.302 2.589 20 0 GFADRO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)CCNC(=O)Nc1ccc(Br)cc1 ZINC000429278498 563513486 /nfs/dbraw/zinc/51/34/86/563513486.db2.gz IYDGELKYHWCZGQ-SWLSCSKDSA-N 1 0 397.317 2.594 20 0 GFADRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)c1cccnc1C(F)(F)F ZINC000330672764 563516891 /nfs/dbraw/zinc/51/68/91/563516891.db2.gz OCWGOBGTPLJYTP-XQQFMLRXSA-N 1 0 379.448 2.745 20 0 GFADRO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)Cn2cc(Br)ccc2=O)C1 ZINC000330690635 563518088 /nfs/dbraw/zinc/51/80/88/563518088.db2.gz YRCPBFUFHKMBES-AWEZNQCLSA-N 1 0 398.345 2.628 20 0 GFADRO CS(=O)(=O)C1(C[NH2+]Cc2cnc3ccc(Br)cn23)CCCC1 ZINC000285435748 563520682 /nfs/dbraw/zinc/52/06/82/563520682.db2.gz HRFNPALVDXUWOQ-UHFFFAOYSA-N 1 0 386.315 2.544 20 0 GFADRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)c1ccc(Br)cc1Br ZINC000389795165 563521891 /nfs/dbraw/zinc/52/18/91/563521891.db2.gz SWAVSDXIISFGMT-UFBFGSQYSA-N 1 0 376.092 2.939 20 0 GFADRO CCOc1ccc(Br)cc1S(=O)(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000389716908 563521971 /nfs/dbraw/zinc/52/19/71/563521971.db2.gz JJACJOQYIVAFIW-CYBMUJFWSA-N 1 0 391.331 2.644 20 0 GFADRO [NH3+]C[C@@H]1CCCC[C@@]12NC(=O)N(Cc1ccc(F)cc1Br)C2=O ZINC000390892412 563523424 /nfs/dbraw/zinc/52/34/24/563523424.db2.gz CPDOODGIQCTNKR-MEDUHNTESA-N 1 0 384.249 2.528 20 0 GFADRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2cn3ccc(Br)cc3n2)C1 ZINC000285490805 563523693 /nfs/dbraw/zinc/52/36/93/563523693.db2.gz AIZVDWCWFQJKCO-DOMZBBRYSA-N 1 0 377.286 2.653 20 0 GFADRO CC(=O)c1cc(Br)ccc1OCC(=O)N(C)CC1CC[NH+](C)CC1 ZINC000285491350 563523753 /nfs/dbraw/zinc/52/37/53/563523753.db2.gz DNYIPMXGDVNGBZ-UHFFFAOYSA-N 1 0 397.313 2.831 20 0 GFADRO CN(C[C@H]1CCC[N@H+](Cc2cc(Cl)cc3cccnc32)C1)S(C)(=O)=O ZINC000285503760 563524235 /nfs/dbraw/zinc/52/42/35/563524235.db2.gz FMVFHOCHRSGUKW-CQSZACIVSA-N 1 0 381.929 2.992 20 0 GFADRO O=C(c1cccc(Br)c1F)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000391494812 563524352 /nfs/dbraw/zinc/52/43/52/563524352.db2.gz RMICVNGJRPDHDH-CYBMUJFWSA-N 1 0 385.277 2.915 20 0 GFADRO Cc1ccc(S(=O)(=O)N(C[C@H](O)CC(C)(C)C)C2CC[NH+](C)CC2)s1 ZINC000330885558 563525434 /nfs/dbraw/zinc/52/54/34/563525434.db2.gz LVPQYSYITDJVAD-MRXNPFEDSA-N 1 0 388.599 2.939 20 0 GFADRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NS(=O)(=O)c1cc(Cl)ccc1Br ZINC000429845294 563525761 /nfs/dbraw/zinc/52/57/61/563525761.db2.gz MYPGZUZMXNBDDM-NOZJJQNGSA-N 1 0 393.734 2.864 20 0 GFADRO CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NS(=O)(=O)c1c(Cl)cnn1C ZINC000429884180 563527146 /nfs/dbraw/zinc/52/71/46/563527146.db2.gz XKYKODHXVZGLQI-INIZCTEOSA-N 1 0 384.933 2.508 20 0 GFADRO [NH3+]C[C@@H]1Cc2ccccc2N(S(=O)(=O)c2sccc2Br)C1 ZINC000392794704 563527738 /nfs/dbraw/zinc/52/77/38/563527738.db2.gz KEKOQSSYDLLPDW-JTQLQIEISA-N 1 0 387.324 2.837 20 0 GFADRO COC(=O)[C@H](NC(=O)C[C@H](C)C1CC[NH2+]CC1)c1ccc(Br)cc1 ZINC000429912091 563529068 /nfs/dbraw/zinc/52/90/68/563529068.db2.gz VDSRWYWKQRFPGJ-YVEFUNNKSA-N 1 0 397.313 2.805 20 0 GFADRO C[C@@H]1C[C@@H](C)N(S(=O)(=O)c2ccc(Br)cc2F)C[C@H]1C[NH3+] ZINC000397335072 563531682 /nfs/dbraw/zinc/53/16/82/563531682.db2.gz XZZXJORSNQBGAJ-GMTAPVOTSA-N 1 0 379.295 2.582 20 0 GFADRO COc1ccc(S(=O)(=O)N[C@H]2CCC[N@@H+](C(C)C)C2)cc1Br ZINC000331030861 563532471 /nfs/dbraw/zinc/53/24/71/563532471.db2.gz GBGSONKFLLHMNK-LBPRGKRZSA-N 1 0 391.331 2.609 20 0 GFADRO C[C@@H]1C[C@H]1[N@@H+]1CCN(Cc2ncc(I)s2)C[C@@H](C)C1 ZINC000430130139 563534839 /nfs/dbraw/zinc/53/48/39/563534839.db2.gz JMVMTMWXBWEUQF-IJLUTSLNSA-N 1 0 391.322 2.910 20 0 GFADRO Brc1cnc(N2CCO[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]32)nc1 ZINC000404162939 563536366 /nfs/dbraw/zinc/53/63/66/563536366.db2.gz SUFJWJJJCJLRKN-DLBZAZTESA-N 1 0 389.297 2.719 20 0 GFADRO Cc1cc(S(=O)(=O)N2CCCC[C@@H]2C[NH+](C)C)sc1Br ZINC000405194507 563538047 /nfs/dbraw/zinc/53/80/47/563538047.db2.gz ZZCKEUNSELAFGX-LLVKDONJSA-N 1 0 381.361 2.924 20 0 GFADRO COc1ccc(Br)cc1S(=O)(=O)N1CCCC[C@H]1C[NH+](C)C ZINC000405072345 563538173 /nfs/dbraw/zinc/53/81/73/563538173.db2.gz GAUVWYPSNANGBP-ZDUSSCGKSA-N 1 0 391.331 2.563 20 0 GFADRO C[C@@H](C(=O)NC[C@@H](CO)Cc1ccc(Br)cc1)[NH+]1CCCCCC1 ZINC000430181596 563538426 /nfs/dbraw/zinc/53/84/26/563538426.db2.gz UMQNGEFGOAHRPP-RDJZCZTQSA-N 1 0 397.357 2.981 20 0 GFADRO C[C@H]1OCC[C@]1(O)C[NH2+]Cc1cc(Cl)ccc1I ZINC000405804348 563539774 /nfs/dbraw/zinc/53/97/74/563539774.db2.gz SDRNZZTYVZKYIF-RNCFNFMXSA-N 1 0 381.641 2.574 20 0 GFADRO COc1cc(Br)ccc1CNC(=O)NCC1(C)CC[NH+](C)CC1 ZINC000430277194 563540169 /nfs/dbraw/zinc/54/01/69/563540169.db2.gz LUZDJFQUVHWICG-UHFFFAOYSA-N 1 0 384.318 2.989 20 0 GFADRO CN(C[C@@H]1CC[N@H+](C)C1)C(=O)C(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000331257754 563542248 /nfs/dbraw/zinc/54/22/48/563542248.db2.gz DNMCPFMMFSKEJB-SECBINFHSA-N 1 0 378.687 2.995 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1cc(Br)c2c(c1)OCCO2 ZINC000408044128 563542738 /nfs/dbraw/zinc/54/27/38/563542738.db2.gz SRCRNDHDZYNXMN-KGLIPLIRSA-N 1 0 381.270 2.577 20 0 GFADRO CC(C)[C@H]([NH3+])CCN(C)CCS(=O)(=O)c1cccc(Br)c1 ZINC000430557624 563545253 /nfs/dbraw/zinc/54/52/53/563545253.db2.gz TTWLSIATNMQLRA-OAHLLOKOSA-N 1 0 377.348 2.528 20 0 GFADRO Cc1ccc([C@@H]([NH3+])C(=O)NCc2cc(Br)c3c(c2)OCCO3)cc1 ZINC000430594301 563545636 /nfs/dbraw/zinc/54/56/36/563545636.db2.gz QNALONIOHDRIIV-MRXNPFEDSA-N 1 0 391.265 2.845 20 0 GFADRO [NH3+][C@H]1CCCN(CC(=O)Nc2ccc(Br)c(C(F)(F)F)c2)C1 ZINC000430637919 563546752 /nfs/dbraw/zinc/54/67/52/563546752.db2.gz DPFIUFWPIIIRLU-VIFPVBQESA-N 1 0 380.208 2.830 20 0 GFADRO COc1cc(Br)c(OCCN2CC[C@@H]([NH3+])C2)cc1Br ZINC000430600901 563546758 /nfs/dbraw/zinc/54/67/58/563546758.db2.gz BSTIRAXLMFKSLY-SECBINFHSA-N 1 0 394.107 2.632 20 0 GFADRO COc1ccc(S(=O)(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)c(Cl)c1Cl ZINC000408235071 563548073 /nfs/dbraw/zinc/54/80/73/563548073.db2.gz BOHACIAIJGYTDS-MNOVXSKESA-N 1 0 379.309 2.907 20 0 GFADRO C[C@@H]([NH2+][C@H](CCO)C(C)(C)C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430747923 563548802 /nfs/dbraw/zinc/54/88/02/563548802.db2.gz NTDWNSLKUACVKG-QMTHXVAHSA-N 1 0 393.347 2.544 20 0 GFADRO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)Cn1cc(Br)ccc1=O ZINC000430825603 563549544 /nfs/dbraw/zinc/54/95/44/563549544.db2.gz YIJYJSFZPZPVLI-HOCLYGCPSA-N 1 0 398.345 2.628 20 0 GFADRO [NH3+]CC1(C(=O)N2CCN(C(=O)c3cc4sccc4s3)CC2)CCCC1 ZINC000430847115 563549581 /nfs/dbraw/zinc/54/95/81/563549581.db2.gz XMGPMQXFKLAINB-UHFFFAOYSA-N 1 0 377.535 2.766 20 0 GFADRO Cc1cccc(C[C@@H](CO)[NH2+]Cc2ncc(I)s2)c1 ZINC000286128306 563549828 /nfs/dbraw/zinc/54/98/28/563549828.db2.gz VAFYHNCYWKSZKK-LBPRGKRZSA-N 1 0 388.274 2.749 20 0 GFADRO CCS[C@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1cc(-n2cnnn2)ccc1Cl ZINC000286250331 563553807 /nfs/dbraw/zinc/55/38/07/563553807.db2.gz SDAGOQUMOKVSDD-ZFWWWQNUSA-N 1 0 380.905 2.518 20 0 GFADRO O=S(=O)(N1CCC([NH2+]C/C=C/c2ccc(F)c(F)c2)CC1)C(F)(F)F ZINC000286288639 563555012 /nfs/dbraw/zinc/55/50/12/563555012.db2.gz BZKPHOSYBONQKN-OWOJBTEDSA-N 1 0 384.370 2.882 20 0 GFADRO O=C(C[NH2+][C@H]1CCC[C@@H]1CCO)Nc1c(F)cc(F)cc1Br ZINC000286301118 563556086 /nfs/dbraw/zinc/55/60/86/563556086.db2.gz VOXLPOOZBAGQCE-RNCFNFMXSA-N 1 0 377.229 2.807 20 0 GFADRO O=C(N[C@@H]1C[C@H]1c1ccccc1Br)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000431191134 563556788 /nfs/dbraw/zinc/55/67/88/563556788.db2.gz DBXZEVVRQRYDBV-UKPHBRMFSA-N 1 0 376.298 2.961 20 0 GFADRO C[C@H]1C[C@@H](N(C)C(=O)C(=O)NCCc2cc(Cl)cc(Cl)c2)CC[N@@H+]1C ZINC000286429717 563560373 /nfs/dbraw/zinc/56/03/73/563560373.db2.gz HBGAXVABODMUKD-LRDDRELGSA-N 1 0 386.323 2.593 20 0 GFADRO CC[NH+]1CCN(CCC(=O)Nc2cccc3cc(Br)cnc32)CC1 ZINC000286484759 563561798 /nfs/dbraw/zinc/56/17/98/563561798.db2.gz QBEIYNHRLANFKX-UHFFFAOYSA-N 1 0 391.313 2.963 20 0 GFADRO Cc1cc(C)c(S(=O)(=O)N2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)s1 ZINC000431522025 563561937 /nfs/dbraw/zinc/56/19/37/563561937.db2.gz TVNUXBXMBMSOAF-GASCZTMLSA-N 1 0 386.583 2.875 20 0 GFADRO O=C(NCCNc1cc[nH+]cc1)[C@@H]1C[C@]12CCc1cc(Br)ccc12 ZINC000409482180 563562213 /nfs/dbraw/zinc/56/22/13/563562213.db2.gz FKVYCULDQHFVGF-HKUYNNGSSA-N 1 0 386.293 2.698 20 0 GFADRO CC[NH+](CC)CCCNS(=O)(=O)Cc1cc(OC)ccc1Br ZINC000409552453 563565165 /nfs/dbraw/zinc/56/51/65/563565165.db2.gz WJFXCWHXYRDLGX-UHFFFAOYSA-N 1 0 393.347 2.609 20 0 GFADRO CCS(=O)(=O)CCCCC[NH2+][C@](C)(CO)c1ccc(Br)cc1 ZINC000286578705 563566071 /nfs/dbraw/zinc/56/60/71/563566071.db2.gz QCEWTWLNCXPEHZ-MRXNPFEDSA-N 1 0 392.359 2.851 20 0 GFADRO O=C([C@@H]1C[C@]12CCc1cc(Br)ccc12)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000409594726 563566357 /nfs/dbraw/zinc/56/63/57/563566357.db2.gz NJRQQNCWUYJMEB-AYBZRNKSSA-N 1 0 375.310 2.960 20 0 GFADRO O=S(=O)(Cc1cccc(Br)c1)NC1CC[NH+](CC2CC2)CC1 ZINC000286674432 563569980 /nfs/dbraw/zinc/56/99/80/563569980.db2.gz PQJCOKHHEKZJPD-UHFFFAOYSA-N 1 0 387.343 2.743 20 0 GFADRO Cn1cc(NC(=O)C[C@H](c2ccccc2)[NH+](C)C)cc(Br)c1=O ZINC000431861200 563570210 /nfs/dbraw/zinc/57/02/10/563570210.db2.gz XLHSCYNVEQETMW-OAHLLOKOSA-N 1 0 378.270 2.779 20 0 GFADRO CC(=O)Nc1ccc(S(=O)(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)cc1Cl ZINC000331998366 563570633 /nfs/dbraw/zinc/57/06/33/563570633.db2.gz ZFIJFGAIXHBTKJ-ZDUSSCGKSA-N 1 0 385.917 2.594 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)NCC[N@H+]2CCCC[C@H]2C)c(Br)c1 ZINC000431956504 563572364 /nfs/dbraw/zinc/57/23/64/563572364.db2.gz XUKSDZOCQLOGRP-CQSZACIVSA-N 1 0 396.329 2.995 20 0 GFADRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)Nc1c(C)cc(C)cc1Br ZINC000431998537 563572572 /nfs/dbraw/zinc/57/25/72/563572572.db2.gz GKDBPMAMQVWMAC-CQSZACIVSA-N 1 0 396.329 2.995 20 0 GFADRO Cc1c([C@H]2[C@H]([NH2+]Cc3cccc(Br)c3)CC(=O)N2C)cnn1C ZINC000332035340 563572937 /nfs/dbraw/zinc/57/29/37/563572937.db2.gz SOVJNSDSOCZHMG-WBVHZDCISA-N 1 0 377.286 2.553 20 0 GFADRO CS[C@H]1CN(C(=O)[C@H](C)Oc2ccc(Br)cc2)C[C@H]1[NH+](C)C ZINC000409886665 563573407 /nfs/dbraw/zinc/57/34/07/563573407.db2.gz KWBADXPABDFMRN-GLQYFDAESA-N 1 0 387.343 2.720 20 0 GFADRO Cc1oc(Br)cc1C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000332138512 563578869 /nfs/dbraw/zinc/57/88/69/563578869.db2.gz LQCXRBVDLQYQRD-GJZGRUSLSA-N 1 0 385.302 2.848 20 0 GFADRO C[N@@H+]1CC[C@@H](CNC(=O)c2cnc3c(Cl)cc(Br)cc3c2O)C1 ZINC000332142521 563578896 /nfs/dbraw/zinc/57/88/96/563578896.db2.gz QAWUCTWXVRWVJX-VIFPVBQESA-N 1 0 398.688 2.626 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1cnc2ccc(Br)cc2c1O ZINC000332162249 563580293 /nfs/dbraw/zinc/58/02/93/563580293.db2.gz QFPAEPHFSUMSCV-ZDUSSCGKSA-N 1 0 392.297 2.847 20 0 GFADRO O=S(=O)(c1cccnc1C(F)(F)F)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000286999263 563583206 /nfs/dbraw/zinc/58/32/06/563583206.db2.gz UBACQYRDUKDQBI-CYBMUJFWSA-N 1 0 377.432 2.739 20 0 GFADRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1Cc1nc2ccc(Br)cc2o1 ZINC000332221189 563584501 /nfs/dbraw/zinc/58/45/01/563584501.db2.gz JJTTWVWAVMELHU-LBPRGKRZSA-N 1 0 382.302 2.867 20 0 GFADRO C[C@H]1CCN(C(=O)c2cc(=O)[nH]c3c(Br)cccc23)C[C@H]1C[NH3+] ZINC000332224281 563585185 /nfs/dbraw/zinc/58/51/85/563585185.db2.gz NMKBMSNQLKLIJA-WDEREUQCSA-N 1 0 378.270 2.760 20 0 GFADRO O=C(Nc1ccc(COc2ccc(Br)cc2)cc1)[C@H]1C[C@H](O)C[NH2+]1 ZINC000432525811 563586241 /nfs/dbraw/zinc/58/62/41/563586241.db2.gz KHDZNLGGZAQCFY-DOTOQJQBSA-N 1 0 391.265 2.689 20 0 GFADRO Cc1cc(C(=O)N[C@H]2CC[NH2+]C[C@@H]2C)nn1-c1ccc(Br)cc1 ZINC000432536403 563586635 /nfs/dbraw/zinc/58/66/35/563586635.db2.gz UUTNJLSTIGLVBZ-NHYWBVRUSA-N 1 0 377.286 2.671 20 0 GFADRO C[C@H]([NH2+]C[C@H]1CCCSC1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000287096526 563587453 /nfs/dbraw/zinc/58/74/53/563587453.db2.gz PVIZPAJLCYSIJO-WDEREUQCSA-N 1 0 393.372 2.890 20 0 GFADRO C[C@H]1CN(C(=O)NC2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)C[C@H]1[NH3+] ZINC000332253716 563587826 /nfs/dbraw/zinc/58/78/26/563587826.db2.gz AJNZJDNUHGLAIL-YVEFUNNKSA-N 1 0 385.339 2.946 20 0 GFADRO Cc1cc(Br)c(NC(=O)N2CCCO[C@@H](C[NH3+])C2)cc1Cl ZINC000332258030 563588040 /nfs/dbraw/zinc/58/80/40/563588040.db2.gz BPHWDOSQFLDJNR-JTQLQIEISA-N 1 0 376.682 2.992 20 0 GFADRO CCCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@H+](C[C@](C)(O)C(F)(F)F)C1 ZINC000410386919 563589118 /nfs/dbraw/zinc/58/91/18/563589118.db2.gz DYRCNARBTWFTNT-YPMHNXCESA-N 1 0 378.357 2.813 20 0 GFADRO CCS(=O)(=O)c1ccc(C[NH2+][C@H](C)c2cccc(-n3ccnn3)c2)s1 ZINC000287160227 563590500 /nfs/dbraw/zinc/59/05/00/563590500.db2.gz TXBQQQNLTXCVSX-CYBMUJFWSA-N 1 0 376.507 2.973 20 0 GFADRO CCN(CCC[NH+](C)C)S(=O)(=O)Cc1cc(OC)ccc1Br ZINC000410417338 563590507 /nfs/dbraw/zinc/59/05/07/563590507.db2.gz KEYSGIDQXBWUTI-UHFFFAOYSA-N 1 0 393.347 2.561 20 0 GFADRO COc1cc(Cl)c(S(=O)(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)cc1Cl ZINC000332332715 563593723 /nfs/dbraw/zinc/59/37/23/563593723.db2.gz QPDXQCHWAHYJPI-QWHCGFSZSA-N 1 0 379.309 2.907 20 0 GFADRO O=C([C@H]1CC[N@@H+](C[C@@H](O)COc2ccc(Cl)cc2Cl)C1)N1CCCC1 ZINC000287255973 563593792 /nfs/dbraw/zinc/59/37/92/563593792.db2.gz HCIVBJHWMYOEQR-DZGCQCFKSA-N 1 0 387.307 2.677 20 0 GFADRO Cc1ccc(NC(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)cc1S(C)(=O)=O ZINC000332336968 563594206 /nfs/dbraw/zinc/59/42/06/563594206.db2.gz UXIHXAXODXHAIF-MRXNPFEDSA-N 1 0 382.551 2.555 20 0 GFADRO C[NH+](C)Cc1ccc(S(=O)(=O)NCc2cn3cc(Cl)ccc3n2)cc1 ZINC000432855894 563595418 /nfs/dbraw/zinc/59/54/18/563595418.db2.gz XPAJQRMOSCRNLU-UHFFFAOYSA-N 1 0 378.885 2.528 20 0 GFADRO COc1cc2c(cc1OC)CC[NH+](Cc1nn(C)cc1Br)CC2 ZINC000432929508 563597140 /nfs/dbraw/zinc/59/71/40/563597140.db2.gz QZSDOJFEAPNGNF-UHFFFAOYSA-N 1 0 380.286 2.801 20 0 GFADRO CC(C)(C)[N@@H+]1C[C@@H](C(=O)N[C@]2(C(F)(F)F)CCOC2)[C@H](C(F)(F)F)C1 ZINC000410858772 563597983 /nfs/dbraw/zinc/59/79/83/563597983.db2.gz MDSRELINKOQHKJ-GIPNMCIBSA-N 1 0 376.341 2.733 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCc3c(Cl)cc(Cl)cc3[C@H]2C)CC[NH2+]1 ZINC000332440631 563599147 /nfs/dbraw/zinc/59/91/47/563599147.db2.gz BUNPLQZPSMDVJQ-WZRBSPASSA-N 1 0 384.307 2.696 20 0 GFADRO C[C@@H](c1ccc(Br)cc1)[NH+]1CCC([C@@]2(C)NC(=O)NC2=O)CC1 ZINC000332466838 563600123 /nfs/dbraw/zinc/60/01/23/563600123.db2.gz SKIWPKWCKORYOI-APPDUMDISA-N 1 0 380.286 2.820 20 0 GFADRO O=C(Nc1cccc(I)c1)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000332541461 563603693 /nfs/dbraw/zinc/60/36/93/563603693.db2.gz DCSKKVKHCANCNU-COPLHBTASA-N 1 0 385.249 2.801 20 0 GFADRO O=C(Nc1ccccc1I)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000332553476 563604423 /nfs/dbraw/zinc/60/44/23/563604423.db2.gz LHPRUWHRGIOUIU-IJLUTSLNSA-N 1 0 385.249 2.801 20 0 GFADRO CN(C[C@H]1CCC[N@H+](C)C1)[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000433237462 563607250 /nfs/dbraw/zinc/60/72/50/563607250.db2.gz XCNBQFSZPBLTBI-WMLDXEAASA-N 1 0 380.330 2.828 20 0 GFADRO Cc1cc(N2CCC[C@H](N3CCC[N@@H+](C)CC3)C2=O)ccc1Br ZINC000411161498 563607822 /nfs/dbraw/zinc/60/78/22/563607822.db2.gz YFJMAOUWRRMPTP-KRWDZBQOSA-N 1 0 380.330 2.890 20 0 GFADRO C[NH2+]C1CCN(C(=O)C(=O)N2CCc3c(Cl)cc(Cl)cc3[C@H]2C)CC1 ZINC000332628268 563608226 /nfs/dbraw/zinc/60/82/26/563608226.db2.gz UIAJDKLHIYDPPU-LLVKDONJSA-N 1 0 384.307 2.650 20 0 GFADRO O=C(C[N@H+]1CC[C@@H](Cc2ccc(Br)cc2)C1)NC1CCOCC1 ZINC000433302299 563609235 /nfs/dbraw/zinc/60/92/35/563609235.db2.gz IQGIUDVKFHYCOI-HNNXBMFYSA-N 1 0 381.314 2.609 20 0 GFADRO CC1(C)CC(NC(=O)c2ccc(I)cn2)CC(C)(C)[NH2+]1 ZINC000411214301 563610082 /nfs/dbraw/zinc/61/00/82/563610082.db2.gz OLYUHHRVDZTONF-UHFFFAOYSA-N 1 0 387.265 2.725 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)N[C@@H]2CCN(c3ccc(Br)cc3)C2)C1 ZINC000332673964 563611145 /nfs/dbraw/zinc/61/11/45/563611145.db2.gz QCZLHLCABWVJQW-SQWLQELKSA-N 1 0 395.345 2.797 20 0 GFADRO CC[NH+](CC)CCCNC(=O)C(=O)Nc1nc(-c2ccc(C)s2)cs1 ZINC000287630569 563611411 /nfs/dbraw/zinc/61/14/11/563611411.db2.gz ZMIYQYIKRBJJON-UHFFFAOYSA-N 1 0 380.539 2.967 20 0 GFADRO CSc1cc(NC(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)ccc1Cl ZINC000411312521 563614696 /nfs/dbraw/zinc/61/46/96/563614696.db2.gz UTIRFCVUWOHVBP-IUODEOHRSA-N 1 0 381.929 2.943 20 0 GFADRO C[C@H]1C[C@@H](NC(=O)Nc2ccc3nccnc3c2Br)CC[N@@H+]1C ZINC000332823911 563614759 /nfs/dbraw/zinc/61/47/59/563614759.db2.gz GELWGTJASKVBLR-QWRGUYRKSA-N 1 0 378.274 2.997 20 0 GFADRO C[C@H]1CN(C(=O)Nc2ccc3nccnc3c2Br)C[C@H]1[NH+](C)C ZINC000287820778 563619264 /nfs/dbraw/zinc/61/92/64/563619264.db2.gz VKTMNFYCHVKNBY-GXFFZTMASA-N 1 0 378.274 2.806 20 0 GFADRO Cc1nc(C(=O)N2CCC([N@H+]3CCO[C@H](C)C3)CC2)c(Br)s1 ZINC000411478495 563620379 /nfs/dbraw/zinc/62/03/79/563620379.db2.gz ULCYKRLJXGQFSS-SNVBAGLBSA-N 1 0 388.331 2.539 20 0 GFADRO COCCN(CC[NH+](C)C)C(=O)N[C@H](c1cncc(Br)c1)C1CC1 ZINC000287966886 563624293 /nfs/dbraw/zinc/62/42/93/563624293.db2.gz WBXVEGCPEJEMRK-INIZCTEOSA-N 1 0 399.333 2.515 20 0 GFADRO O=C(Nc1cc(Br)ccc1-n1cccn1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000333229992 563624607 /nfs/dbraw/zinc/62/46/07/563624607.db2.gz XZRJANZWRSTIFG-JSGCOSHPSA-N 1 0 390.285 2.851 20 0 GFADRO CCn1cc([C@@H]2NC(=O)CC[C@H]2[NH2+]Cc2ccc(F)cc2Br)cn1 ZINC000433997606 563624797 /nfs/dbraw/zinc/62/47/97/563624797.db2.gz SCHIHPKQAJDGDS-WBVHZDCISA-N 1 0 395.276 2.914 20 0 GFADRO O=C(Nc1ccc2nccnc2c1Br)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000333254645 563625989 /nfs/dbraw/zinc/62/59/89/563625989.db2.gz CZSKFIDTAAXWHA-SDDRHHMPSA-N 1 0 390.285 2.902 20 0 GFADRO O=C(Nc1cnn(-c2ccccc2Br)c1)N1CCC2(CC[NH2+]2)CC1 ZINC000333276968 563626606 /nfs/dbraw/zinc/62/66/06/563626606.db2.gz LPPHLVDUZMSJON-UHFFFAOYSA-N 1 0 390.285 2.995 20 0 GFADRO O=C(Nc1nnc(-c2c(F)cccc2Cl)s1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000333300120 563627392 /nfs/dbraw/zinc/62/73/92/563627392.db2.gz KGVDVNXEIKPPDV-SKDRFNHKSA-N 1 0 381.864 3.213 20 0 GFADRO CN(C)c1cc(NC(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)ncc1Br ZINC000333359412 563628735 /nfs/dbraw/zinc/62/87/35/563628735.db2.gz SOAZMPNUHYKKIA-STQMWFEESA-N 1 0 396.333 2.764 20 0 GFADRO C[NH+](C)CCCOC1CCN(S(=O)(=O)c2ccc(C(F)F)cc2)CC1 ZINC000288088868 563628918 /nfs/dbraw/zinc/62/89/18/563628918.db2.gz KKQRRQCTCYMUGC-UHFFFAOYSA-N 1 0 376.469 2.746 20 0 GFADRO C[C@H](NC(=O)C(=O)N(C)C[C@H]1CCC[N@H+](C)C1)c1cccc(Cl)c1Cl ZINC000288166215 563632132 /nfs/dbraw/zinc/63/21/32/563632132.db2.gz MIDMLDRLDNVOQJ-STQMWFEESA-N 1 0 386.323 2.971 20 0 GFADRO CCOCC[C@@H](O)C[NH+]1CCN([C@@H](C)c2ccc(Br)cc2)CC1 ZINC000434635098 563632937 /nfs/dbraw/zinc/63/29/37/563632937.db2.gz VOUMLOSZYIMZJG-MAUKXSAKSA-N 1 0 385.346 2.915 20 0 GFADRO C[C@H](CC[NH+](C)C)NC(=O)C(=O)Nc1cc(F)c(Br)c(Cl)c1 ZINC000288204086 563633142 /nfs/dbraw/zinc/63/31/42/563633142.db2.gz YLZOTEUDNCFSPK-MRVPVSSYSA-N 1 0 394.672 2.637 20 0 GFADRO CC1(C)Cc2ccc(Br)cc2[C@@H]1[NH2+]CC(=O)NC[C@H]1CCCO1 ZINC000411760788 563633599 /nfs/dbraw/zinc/63/35/99/563633599.db2.gz SWNIYNJDKJAQEZ-PBHICJAKSA-N 1 0 381.314 2.957 20 0 GFADRO CC1(C)Cc2ccc(Br)cc2[C@@H]1[NH2+]CC(=O)NC[C@@H]1CCCO1 ZINC000411760791 563633722 /nfs/dbraw/zinc/63/37/22/563633722.db2.gz SWNIYNJDKJAQEZ-YOEHRIQHSA-N 1 0 381.314 2.957 20 0 GFADRO Clc1cc(Cl)cc(-c2nnc3ccc(N4C[C@H]5C[NH2+]C[C@H]5C4)nn32)c1 ZINC000333555717 563635519 /nfs/dbraw/zinc/63/55/19/563635519.db2.gz PWAOPNZXTDYUAA-TXEJJXNPSA-N 1 0 375.263 2.754 20 0 GFADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)C(C)(C)S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000288298534 563637014 /nfs/dbraw/zinc/63/70/14/563637014.db2.gz YGMFPJASDJKCHL-AWEZNQCLSA-N 1 0 386.945 2.693 20 0 GFADRO [NH3+][C@@H]1CN(S(=O)(=O)C[C@@H]2CCCCC2(F)F)C[C@H]1c1cccc(F)c1 ZINC000333651864 563637838 /nfs/dbraw/zinc/63/78/38/563637838.db2.gz JYJMJXADYDJGSN-CWRNSKLLSA-N 1 0 376.444 2.708 20 0 GFADRO COC[C@@H]([NH2+]CCS(=O)(=O)c1cc(Cl)ccc1Cl)[C@@H]1CCCO1 ZINC000434781663 563638286 /nfs/dbraw/zinc/63/82/86/563638286.db2.gz AMXSCOFLUCNSJE-KGLIPLIRSA-N 1 0 382.309 2.551 20 0 GFADRO [NH3+][C@H]1CCCO[C@H]1C1CCN(C(=O)NCc2ccc(Br)cc2)CC1 ZINC000333677080 563638748 /nfs/dbraw/zinc/63/87/48/563638748.db2.gz ZCJWSZUQEHDIJU-IRXDYDNUSA-N 1 0 396.329 2.877 20 0 GFADRO [NH3+][C@@H]1CCO[C@H](C2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)C1 ZINC000333697934 563640106 /nfs/dbraw/zinc/64/01/06/563640106.db2.gz QKJKAWALSHLJMQ-HIFRSBDPSA-N 1 0 393.336 2.900 20 0 GFADRO O=C(N[C@H](c1cncc(Br)c1)C1CC1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000333750507 563641231 /nfs/dbraw/zinc/64/12/31/563641231.db2.gz JYOIIMOYITVZEH-PMPSAXMXSA-N 1 0 379.302 2.831 20 0 GFADRO O[C@H](COc1ccc(Br)cc1)C[N@@H+]1C[C@@H](O)C[C@H]1c1ccccc1 ZINC000411908447 563641336 /nfs/dbraw/zinc/64/13/36/563641336.db2.gz DJXLRXIYNQOKJC-LNLFQRSKSA-N 1 0 392.293 2.997 20 0 GFADRO O=C(CN1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21)Nc1cc(Cl)ccc1Cl ZINC000333841454 563643301 /nfs/dbraw/zinc/64/33/01/563643301.db2.gz LFIJWYFWFIJUHF-CJNGLKHVSA-N 1 0 384.307 2.632 20 0 GFADRO O=C(C[NH2+][C@@H](CO)[C@@H]1CCCOC1)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000411995907 563644086 /nfs/dbraw/zinc/64/40/86/563644086.db2.gz QXAZQEURDSDKMN-YGRLFVJLSA-N 1 0 380.794 2.674 20 0 GFADRO CN(Cc1cc(Br)cs1)C(=O)C[N@@H+]1C[C@@H]2CC[C@H](O)C[C@@H]2C1 ZINC000412030646 563645039 /nfs/dbraw/zinc/64/50/39/563645039.db2.gz ACZHQAHPADKGQO-SCRDCRAPSA-N 1 0 387.343 2.562 20 0 GFADRO COC(=O)CC[C@H]([NH3+])C(=O)Nc1ccc(Sc2nncs2)c(Cl)c1 ZINC000288498115 563645628 /nfs/dbraw/zinc/64/56/28/563645628.db2.gz BCYNQPILRMAUGJ-JTQLQIEISA-N 1 0 386.886 2.562 20 0 GFADRO COc1ccc([C@@H](C)NC(=O)N2CC[C@]3(CC[NH2+]C3)C2)cc1Br ZINC000333928042 563645732 /nfs/dbraw/zinc/64/57/32/563645732.db2.gz WYKGAGCTKOMBLS-PXAZEXFGSA-N 1 0 382.302 2.914 20 0 GFADRO COC(=O)[C@@H]1CSCC[N@H+](C[C@@H](O)CO[C@H](C)c2ccc(Cl)cc2)C1 ZINC000412061053 563645889 /nfs/dbraw/zinc/64/58/89/563645889.db2.gz AHZABMSXVBVTPB-UKPHBRMFSA-N 1 0 387.929 2.617 20 0 GFADRO COC(=O)[C@@H]1CSCC[N@H+](C[C@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000412062285 563646050 /nfs/dbraw/zinc/64/60/50/563646050.db2.gz BGVRNQXMPOZSII-RYUDHWBXSA-N 1 0 394.320 2.571 20 0 GFADRO O=C(c1ccc(I)c(F)c1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000288543610 563647526 /nfs/dbraw/zinc/64/75/26/563647526.db2.gz ALLPYGUSIYVJSW-OAHLLOKOSA-N 1 0 388.224 2.646 20 0 GFADRO CCOC(=O)COc1c(Br)cc(C)cc1CN1CCC[C@@H]([NH3+])C1 ZINC000435373879 563649076 /nfs/dbraw/zinc/64/90/76/563649076.db2.gz GILOKWIXIDXIAA-CQSZACIVSA-N 1 0 385.302 2.623 20 0 GFADRO CSC1(CN2C(=O)N[C@H](c3ccc(Cl)c(F)c3)C2=O)CC[NH+](C)CC1 ZINC000348983852 563658679 /nfs/dbraw/zinc/65/86/79/563658679.db2.gz INHAQFRYDTXJAS-CQSZACIVSA-N 1 0 385.892 2.899 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@@H]1CC(=O)Nc2ccc(Br)cc21 ZINC000435919565 563660729 /nfs/dbraw/zinc/66/07/29/563660729.db2.gz ZEIOTHPCWMGJGA-IUODEOHRSA-N 1 0 394.313 2.866 20 0 GFADRO C[C@H]1CCCC[N@@H+]1CCNC(=O)[C@H]1CC(=O)Nc2ccc(Br)cc21 ZINC000435919567 563660952 /nfs/dbraw/zinc/66/09/52/563660952.db2.gz ZEIOTHPCWMGJGA-WFASDCNBSA-N 1 0 394.313 2.866 20 0 GFADRO COC(=O)[C@@H](c1ccc(Cl)cc1Cl)N1CC[NH+](CC(C)(C)O)CC1 ZINC000436094536 563664421 /nfs/dbraw/zinc/66/44/21/563664421.db2.gz UGWBTRFRWUJZBX-OAHLLOKOSA-N 1 0 375.296 2.596 20 0 GFADRO COc1cc(C(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)cc(OC)c1Br ZINC000289104833 563668487 /nfs/dbraw/zinc/66/84/87/563668487.db2.gz CJIGSJGOFWBDBS-HAQNSBGRSA-N 1 0 385.302 2.961 20 0 GFADRO O=C(NCCOc1ncc(C(F)(F)F)cc1Cl)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000436315095 563669278 /nfs/dbraw/zinc/66/92/78/563669278.db2.gz ZSRGCGBFVCITPA-MEBBXXQBSA-N 1 0 377.794 2.639 20 0 GFADRO CCO[C@@H]1C[C@@](CO)([NH2+]Cc2cc3c(cc2Br)OCO3)C1(C)C ZINC000436387682 563669975 /nfs/dbraw/zinc/66/99/75/563669975.db2.gz KKIQNIWTONFBFG-WBVHZDCISA-N 1 0 386.286 2.834 20 0 GFADRO C[C@]1(C[C@@H]2CCC[N@@H+]2Cc2cc(Br)ccc2F)NC(=O)NC1=O ZINC000289207653 563671661 /nfs/dbraw/zinc/67/16/61/563671661.db2.gz BUQDHZXPDXWCOH-BLLLJJGKSA-N 1 0 384.249 2.541 20 0 GFADRO COC(=O)CN1CCC([NH2+][C@@H](CCO)c2ccc(Cl)c(Cl)c2)CC1 ZINC000289771675 563686753 /nfs/dbraw/zinc/68/67/53/563686753.db2.gz RHXNIYYCYYUDBC-INIZCTEOSA-N 1 0 375.296 2.644 20 0 GFADRO C[N@@H+]1C[C@@H](NC(=O)c2cc(Br)ccc2O)[C@@H](c2ccccc2)C1 ZINC000437001272 563688323 /nfs/dbraw/zinc/68/83/23/563688323.db2.gz CJKSERQHNCPHAE-HZPDHXFCSA-N 1 0 375.266 2.982 20 0 GFADRO CC(C)(C)[C@@H]1NC(=O)CC[C@H]1[NH2+]Cc1cn2ccc(Br)cc2n1 ZINC000289836836 563688875 /nfs/dbraw/zinc/68/88/75/563688875.db2.gz MYHBZHROGXPVSN-CZUORRHYSA-N 1 0 379.302 2.880 20 0 GFADRO COc1ccc([C@H](NC(=O)[C@@H](C[NH3+])OC)c2ccccc2)cc1Br ZINC000289845047 563688894 /nfs/dbraw/zinc/68/88/94/563688894.db2.gz FKRGFUQNHXGLLZ-IAGOWNOFSA-N 1 0 393.281 2.637 20 0 GFADRO O=C(c1ccco1)N1CCC([NH2+][C@H](CO)c2cccc(Br)c2)CC1 ZINC000360056799 563691435 /nfs/dbraw/zinc/69/14/35/563691435.db2.gz HVIMNUPKTYKLDZ-MRXNPFEDSA-N 1 0 393.281 2.970 20 0 GFADRO COc1ccc(CCC(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc1Br ZINC000360467860 563692793 /nfs/dbraw/zinc/69/27/93/563692793.db2.gz SIXTYDOIXGGJME-OFQRWUPVSA-N 1 0 381.314 2.976 20 0 GFADRO C[C@@H](C(=O)Nc1ccc(Br)cc1)N1CCC(c2nnc[nH]2)CC1 ZINC000360659522 563693586 /nfs/dbraw/zinc/69/35/86/563693586.db2.gz ZJBJJRQXXOLZLF-NSHDSACASA-N 1 0 378.274 2.774 20 0 GFADRO C[NH+](C)CCOc1cc(-c2noc(-c3ncccc3Br)n2)ccn1 ZINC000289981226 563693748 /nfs/dbraw/zinc/69/37/48/563693748.db2.gz DIJCBUVKHWMNQQ-UHFFFAOYSA-N 1 0 390.241 2.897 20 0 GFADRO O=C(CNC(=O)c1ccc(Cl)c(Cl)c1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000290208560 563701324 /nfs/dbraw/zinc/70/13/24/563701324.db2.gz RWKCKHXHCGVLIO-CQSZACIVSA-N 1 0 384.307 2.571 20 0 GFADRO Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000290201139 563701349 /nfs/dbraw/zinc/70/13/49/563701349.db2.gz HVHGDEAOHPLSAA-GFCCVEGCSA-N 1 0 378.826 2.951 20 0 GFADRO C[C@@H](Cc1ccc(F)cc1Br)[NH2+]C[C@@H]1CCCS(=O)(=O)C1 ZINC000290207683 563701427 /nfs/dbraw/zinc/70/14/27/563701427.db2.gz VMGQDDKEBWQBNP-RYUDHWBXSA-N 1 0 378.307 2.934 20 0 GFADRO Cn1nc(Br)c2c1ncnc2N1CCC[C@H]([NH+]2CCCCC2)C1 ZINC000361814222 563701544 /nfs/dbraw/zinc/70/15/44/563701544.db2.gz LUPQWGJMVZJZMY-LBPRGKRZSA-N 1 0 379.306 2.581 20 0 GFADRO Cc1cc(C[N@H+](C)CCn2cc(Br)cn2)ccc1-n1cncn1 ZINC000290236846 563701950 /nfs/dbraw/zinc/70/19/50/563701950.db2.gz UEUZVEHWPKNUOM-UHFFFAOYSA-N 1 0 375.274 2.667 20 0 GFADRO COCCN(CC[NH+](C)C)C(=O)NCc1cc(Cl)cc(Br)c1 ZINC000413699582 563702363 /nfs/dbraw/zinc/70/23/63/563702363.db2.gz JSKZVZBSPTZQLH-UHFFFAOYSA-N 1 0 392.725 2.822 20 0 GFADRO CC[C@H](Cc1ccccc1Br)C(=O)NC1(CCO)CC[NH+](C)CC1 ZINC000413700474 563702381 /nfs/dbraw/zinc/70/23/81/563702381.db2.gz RXQKIVYWJNJUDS-OAHLLOKOSA-N 1 0 397.357 2.981 20 0 GFADRO Cn1ccc(N2CC[C@@H]([NH2+]Cc3ccc(Cl)c(Br)c3)C2=O)n1 ZINC000362033050 563702795 /nfs/dbraw/zinc/70/27/95/563702795.db2.gz RULGXNRQTLXDJR-CYBMUJFWSA-N 1 0 383.677 2.731 20 0 GFADRO COc1ccc(I)c(NC(=O)NCC[N@H+](C)C(C)C)c1 ZINC000438197270 563702822 /nfs/dbraw/zinc/70/28/22/563702822.db2.gz FIQSINAMFOACFP-UHFFFAOYSA-N 1 0 391.253 2.762 20 0 GFADRO C[C@@H]1CN(C(=O)[C@@H]2SCCc3sccc32)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000362066656 563703524 /nfs/dbraw/zinc/70/35/24/563703524.db2.gz NOKPLFGFQMVHTP-QGPMSJSTSA-N 1 0 379.595 2.563 20 0 GFADRO O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1cn(-c2ccc(Br)cc2)cn1 ZINC000362178199 563704753 /nfs/dbraw/zinc/70/47/53/563704753.db2.gz MSXOZWRWGZJYPQ-HOCLYGCPSA-N 1 0 389.297 2.991 20 0 GFADRO C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@@H]2C[C@H]2c2ccc(Cl)cc2Cl)C[C@@H]1C ZINC000438370936 563705177 /nfs/dbraw/zinc/70/51/77/563705177.db2.gz KRSAOBYXBHGWSO-WXRXAMBDSA-N 1 0 386.323 2.946 20 0 GFADRO CCN(C[C@@H]1CCN(C(=O)[C@@]2([NH+](C)C)CCCSC2)C1)CC(F)(F)F ZINC000362709026 563708574 /nfs/dbraw/zinc/70/85/74/563708574.db2.gz YFEPVSIAWMCQNF-GOEBONIOSA-N 1 0 381.508 2.547 20 0 GFADRO CC[C@H](C)[C@@H](NC(=O)C[NH2+]C(C)(C)c1ccc(Br)cc1)C(=O)OC ZINC000438674804 563708620 /nfs/dbraw/zinc/70/86/20/563708620.db2.gz YKTAMYKGHARKLH-BLLLJJGKSA-N 1 0 399.329 2.978 20 0 GFADRO C[NH+](C)C1CCN(C(=O)C2CCN(C(=O)c3ccc(Cl)s3)CC2)CC1 ZINC000363027205 563712394 /nfs/dbraw/zinc/71/23/94/563712394.db2.gz WNMWDRRZLQFHFE-UHFFFAOYSA-N 1 0 383.945 2.806 20 0 GFADRO Cc1ccc(NC(=O)C(=O)NCC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c(Br)c1 ZINC000363043404 563712484 /nfs/dbraw/zinc/71/24/84/563712484.db2.gz AFPIFVAQDHSLGU-AGUYFDCRSA-N 1 0 394.313 2.685 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)[C@@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC000363129706 563714844 /nfs/dbraw/zinc/71/48/44/563714844.db2.gz KMALMASSAADCNJ-UKRRQHHQSA-N 1 0 394.313 2.687 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCC(=O)N(C)[C@H]1c1ccnn1C)c1ccc(Br)nc1 ZINC000290659957 563717844 /nfs/dbraw/zinc/71/78/44/563717844.db2.gz KPDGKVFYYVGYHP-XTQGRXLLSA-N 1 0 392.301 2.590 20 0 GFADRO CCS(=O)(=O)N1CC(C[NH2+][C@H](C)c2ccc(OCC(F)(F)F)cc2)C1 ZINC000439148195 563718129 /nfs/dbraw/zinc/71/81/29/563718129.db2.gz WWHXASGUUJSMBD-GFCCVEGCSA-N 1 0 380.432 2.560 20 0 GFADRO O=S(=O)(Cc1ccon1)NCC[NH2+][C@H]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000414112234 563719783 /nfs/dbraw/zinc/71/97/83/563719783.db2.gz MYOCAHZYYIJLGX-HOCLYGCPSA-N 1 0 383.901 2.673 20 0 GFADRO COc1ccc(C[C@H](C)[NH2+][C@@H](C(N)=O)c2cccc(Br)c2)cn1 ZINC000414126852 563720477 /nfs/dbraw/zinc/72/04/77/563720477.db2.gz FRLSFZSIKMWMND-MEDUHNTESA-N 1 0 378.270 2.600 20 0 GFADRO C[C@@H]([NH2+]CC1(N2CCOCC2)CCOCC1)c1nc(C(F)(F)F)cs1 ZINC000414195501 563721696 /nfs/dbraw/zinc/72/16/96/563721696.db2.gz WRAKLJQTRJAUCZ-GFCCVEGCSA-N 1 0 379.448 2.694 20 0 GFADRO COc1cccc2c1C[C@H]([NH2+][C@@H](C)Cn1cc(Br)ccc1=O)C2 ZINC000414183239 563721716 /nfs/dbraw/zinc/72/17/16/563721716.db2.gz NDEOWVQSFDMDHG-SWLSCSKDSA-N 1 0 377.282 2.765 20 0 GFADRO CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC(c2cccc(Br)c2)CC1 ZINC000439315297 563722062 /nfs/dbraw/zinc/72/20/62/563722062.db2.gz OTEDBYNSPNCJBZ-LBPRGKRZSA-N 1 0 382.302 2.863 20 0 GFADRO COCC[C@H](C)C[NH2+][C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000414213627 563722621 /nfs/dbraw/zinc/72/26/21/563722621.db2.gz YDWAVXYDHLEHHZ-SMDDNHRTSA-N 1 0 376.316 2.930 20 0 GFADRO Cc1nn(C)c(Cl)c1S(=O)(=O)NC1CC[NH+](C2CCC(C)CC2)CC1 ZINC000363481055 563723421 /nfs/dbraw/zinc/72/34/21/563723421.db2.gz PQTACSUCUVCLQU-UHFFFAOYSA-N 1 0 388.965 2.703 20 0 GFADRO COC(=O)c1cc(NC(=O)NC2(C[NH+](C)C)CCC2)ccc1Br ZINC000439380180 563723744 /nfs/dbraw/zinc/72/37/44/563723744.db2.gz RYVGXKSJAHTUIU-UHFFFAOYSA-N 1 0 384.274 2.842 20 0 GFADRO O[C@H](COc1cc(F)cc(Br)c1)C[N@@H+]1CC[C@@H]([C@H]2CCOC2)C1 ZINC000439429270 563724056 /nfs/dbraw/zinc/72/40/56/563724056.db2.gz HWEZGHAJXVJSLK-WWGRRREGSA-N 1 0 388.277 2.686 20 0 GFADRO C[N@H+](C[C@H](O)COc1cc(F)cc(Br)c1)C[C@@H]1CCCOC1 ZINC000439437853 563724347 /nfs/dbraw/zinc/72/43/47/563724347.db2.gz KSJAWKYKWFHAJV-WFASDCNBSA-N 1 0 376.266 2.686 20 0 GFADRO CCOC(=O)C[C@@H](C)[N@H+](C)C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000439432402 563724987 /nfs/dbraw/zinc/72/49/87/563724987.db2.gz TWILAUUPLDEMJR-RISCZKNCSA-N 1 0 392.265 2.601 20 0 GFADRO CC[C@H](O)[C@H]1CCCC[N@@H+]1C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000439437914 563724992 /nfs/dbraw/zinc/72/49/92/563724992.db2.gz LBMVBBRUHBSZAU-UAGQMJEPSA-N 1 0 390.293 2.953 20 0 GFADRO COc1cccc([C@H](C)[NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)c1 ZINC000414290365 563725184 /nfs/dbraw/zinc/72/51/84/563725184.db2.gz NMAFFGQGEGECMW-NSHDSACASA-N 1 0 399.310 2.956 20 0 GFADRO CC[C@H]([NH2+][C@@H]1CCCC(F)(F)[C@H]1O)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000414293843 563725405 /nfs/dbraw/zinc/72/54/05/563725405.db2.gz CWCIEGSZRDVPHJ-GUTXKFCHSA-N 1 0 396.887 2.838 20 0 GFADRO CC[N@H+](C[C@@H](O)COc1cc(F)cc(Br)c1)C[C@@H]1CCCO1 ZINC000439455958 563726703 /nfs/dbraw/zinc/72/67/03/563726703.db2.gz XCEYNZBQVGUFQR-CABCVRRESA-N 1 0 376.266 2.829 20 0 GFADRO CC[C@H]([NH2+]CCCCn1cc(C(N)=O)nn1)c1ccc(Br)cc1 ZINC000414347216 563728354 /nfs/dbraw/zinc/72/83/54/563728354.db2.gz GXDPXKUMIYQJFA-AWEZNQCLSA-N 1 0 380.290 2.661 20 0 GFADRO CCS(=O)(=O)CCC[NH2+][C@H](C)CC(=O)Nc1ccc(Br)cc1 ZINC000414348862 563728566 /nfs/dbraw/zinc/72/85/66/563728566.db2.gz SFAGWSLCZQWXRP-GFCCVEGCSA-N 1 0 391.331 2.581 20 0 GFADRO COc1cccc(O[C@H](C)C[NH2+]Cc2ccc(S(N)(=O)=O)c(Cl)c2)c1 ZINC000414361325 563729184 /nfs/dbraw/zinc/72/91/84/563729184.db2.gz SIVNQLJJMRHBDV-GFCCVEGCSA-N 1 0 384.885 2.553 20 0 GFADRO CC[C@@H]([NH2+]CCCCn1cc(C(N)=O)nn1)c1cccc(Br)c1 ZINC000414352910 563729244 /nfs/dbraw/zinc/72/92/44/563729244.db2.gz QQHRMWPPYPPYED-CQSZACIVSA-N 1 0 380.290 2.661 20 0 GFADRO CC(C)CSCC[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000414363154 563729489 /nfs/dbraw/zinc/72/94/89/563729489.db2.gz GIDSEANNMBNHOL-UHFFFAOYSA-N 1 0 381.361 2.575 20 0 GFADRO CC(C)N(CC[NH+](C)C)C(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000439629073 563729628 /nfs/dbraw/zinc/72/96/28/563729628.db2.gz QJTMSFWKTLYITA-AWEZNQCLSA-N 1 0 396.329 2.601 20 0 GFADRO O=C(C[N@@H+]1CCS[C@H]2CCCC[C@@H]21)N1CCN(Cc2cccs2)CC1 ZINC000439616624 563729740 /nfs/dbraw/zinc/72/97/40/563729740.db2.gz SKPWFSFXLKAZQN-ROUUACIJSA-N 1 0 379.595 2.752 20 0 GFADRO CCc1cnccc1[C@H](C)[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000414371417 563729865 /nfs/dbraw/zinc/72/98/65/563729865.db2.gz YEMSDTGQGQDKBN-NSHDSACASA-N 1 0 398.326 2.905 20 0 GFADRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NS(=O)(=O)c1cccc(Br)c1 ZINC000440092536 563736562 /nfs/dbraw/zinc/73/65/62/563736562.db2.gz PFXFMRREFNQNKP-CHWSQXEVSA-N 1 0 375.332 2.848 20 0 GFADRO Cc1nccc(CN2CCC[C@@H]([NH2+]Cc3ccc(Br)cc3)C2=O)n1 ZINC000363964517 563738224 /nfs/dbraw/zinc/73/82/24/563738224.db2.gz LEEYZLBLNXRHNH-QGZVFWFLSA-N 1 0 389.297 2.828 20 0 GFADRO Cc1c(S(=O)(=O)N[C@@H](C)[C@@H]2CCC[NH2+]C2)cnn1-c1ccc(Cl)cc1 ZINC000440342216 563739140 /nfs/dbraw/zinc/73/91/40/563739140.db2.gz RIPPSGBLFFJHMG-GXTWGEPZSA-N 1 0 382.917 2.501 20 0 GFADRO CCOc1ccc(S(=O)(=O)N[C@H](C)[C@@H]2CCC[NH2+]C2)cc1Br ZINC000440335604 563739211 /nfs/dbraw/zinc/73/92/11/563739211.db2.gz GGTCJRZTBNQPDM-VXGBXAGGSA-N 1 0 391.331 2.514 20 0 GFADRO Cc1c(S(=O)(=O)N[C@H](C)[C@@H]2CCC[NH2+]C2)cnn1-c1ccc(Cl)cc1 ZINC000440342221 563739436 /nfs/dbraw/zinc/73/94/36/563739436.db2.gz RIPPSGBLFFJHMG-TZMCWYRMSA-N 1 0 382.917 2.501 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)C(=O)Nc1ncc(C(F)(F)F)s1)c1cccs1 ZINC000291373846 563741174 /nfs/dbraw/zinc/74/11/74/563741174.db2.gz RWIPXQRKBRSEHZ-MRVPVSSYSA-N 1 0 392.428 2.581 20 0 GFADRO CCOc1cc(CN2CC[NH+](C[C@@H]3CCOC3)CC2)cc(Br)c1O ZINC000291397189 563741472 /nfs/dbraw/zinc/74/14/72/563741472.db2.gz DJEUSNYWUIZEPF-AWEZNQCLSA-N 1 0 399.329 2.708 20 0 GFADRO O=S(=O)(c1cc(Cl)ccc1F)N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000414465372 563741491 /nfs/dbraw/zinc/74/14/91/563741491.db2.gz ROSHQVGEHHDEMR-OAHLLOKOSA-N 1 0 390.908 2.745 20 0 GFADRO Cc1c(S(=O)(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)cnn1-c1ccc(Cl)cc1 ZINC000440442783 563742331 /nfs/dbraw/zinc/74/23/31/563742331.db2.gz PXRWSILAZRLBDH-OCCSQVGLSA-N 1 0 382.917 2.582 20 0 GFADRO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+]Cc2ccc3c(c2)nnn3C)c1 ZINC000414499364 563744382 /nfs/dbraw/zinc/74/43/82/563744382.db2.gz YKCCGTMCCLBFQX-UHFFFAOYSA-N 1 0 378.885 2.705 20 0 GFADRO CCC[N@H+](CC)C[C@@H](C)NC(=O)c1cc2c(cc1Br)NC(=O)CO2 ZINC000291469345 563744616 /nfs/dbraw/zinc/74/46/16/563744616.db2.gz DYCSRMPYLZYKDK-LLVKDONJSA-N 1 0 398.301 2.630 20 0 GFADRO CS(=O)(=O)c1cc(C(=O)N2CC[C@@]3(CCC[C@H]3[NH3+])C2)c(Cl)cc1Cl ZINC000364196627 563745805 /nfs/dbraw/zinc/74/58/05/563745805.db2.gz RBRWRNCIOZGART-ZBFHGGJFSA-N 1 0 391.320 2.740 20 0 GFADRO Cc1cc(CCC(=O)N2CCC[N@@H+]([C@@H](C)CO)CC2)ccc1Br ZINC000364210734 563745861 /nfs/dbraw/zinc/74/58/61/563745861.db2.gz FQZPXCMGTFSMNI-HNNXBMFYSA-N 1 0 383.330 2.605 20 0 GFADRO OC1(CC[NH2+]Cc2c(Br)cncc2Br)CCOCC1 ZINC000291568478 563747976 /nfs/dbraw/zinc/74/79/76/563747976.db2.gz NRKQFYASGPVZRQ-UHFFFAOYSA-N 1 0 394.107 2.628 20 0 GFADRO COCCCOc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000440735203 563748886 /nfs/dbraw/zinc/74/88/86/563748886.db2.gz NJZVHGJJHBWTHS-KBPBESRZSA-N 1 0 390.933 2.503 20 0 GFADRO Cc1cc(Br)cc(C)c1S(=O)(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000440806195 563750439 /nfs/dbraw/zinc/75/04/39/563750439.db2.gz ZXUJHXOLJRYAQP-ZDUSSCGKSA-N 1 0 375.332 2.815 20 0 GFADRO Cc1c(S(=O)(=O)NC[C@]2(C)CCC[NH2+]C2)cnn1-c1ccc(Cl)cc1 ZINC000440830962 563751106 /nfs/dbraw/zinc/75/11/06/563751106.db2.gz DUKQVXHPSOCRNL-QGZVFWFLSA-N 1 0 382.917 2.502 20 0 GFADRO O=S(=O)(c1ccc(C(F)(F)F)c(F)c1)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000440834800 563751191 /nfs/dbraw/zinc/75/11/91/563751191.db2.gz PLLCMSUESNBWKZ-OAHLLOKOSA-N 1 0 380.407 2.997 20 0 GFADRO Cc1cc(Br)ccc1CNC(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000440996281 563754034 /nfs/dbraw/zinc/75/40/34/563754034.db2.gz YHWRYTOUYBPGTO-UHFFFAOYSA-N 1 0 397.361 2.583 20 0 GFADRO CC(C)(C)[C@@H](C[NH3+])NC(=O)Nc1cc(Br)ccc1N1CCOCC1 ZINC000414926042 563754518 /nfs/dbraw/zinc/75/45/18/563754518.db2.gz JRGWHNMKZSHEMF-OAHLLOKOSA-N 1 0 399.333 2.781 20 0 GFADRO C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@H]1NC(=O)Cc1ccc(Br)cc1 ZINC000364552967 563757551 /nfs/dbraw/zinc/75/75/51/563757551.db2.gz ALDTWSPYKDHSFJ-ZTFGCOKTSA-N 1 0 395.341 2.997 20 0 GFADRO O=C(Nc1ccnn1Cc1cccc(Br)c1)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000364559380 563757691 /nfs/dbraw/zinc/75/76/91/563757691.db2.gz GQWJTHHJMWVEFW-WMLDXEAASA-N 1 0 375.270 2.632 20 0 GFADRO CN(Cc1ccc(OCc2ccccc2)c(Br)c1)C[C@H](O)C[NH3+] ZINC000415070942 563758076 /nfs/dbraw/zinc/75/80/76/563758076.db2.gz RSZMIHHWCRGQIK-MRXNPFEDSA-N 1 0 379.298 2.780 20 0 GFADRO CSc1ccccc1[C@H](C)[NH2+]Cc1cnn([C@]2(C)CCS(=O)(=O)C2)c1 ZINC000441356262 563758071 /nfs/dbraw/zinc/75/80/71/563758071.db2.gz QCYVOFSRNKQIBN-KBXCAEBGSA-N 1 0 379.551 2.990 20 0 GFADRO COc1ccc(I)c(NC(=O)N(C)C2CC[NH2+]CC2)c1 ZINC000415080495 563758872 /nfs/dbraw/zinc/75/88/72/563758872.db2.gz YQGRQFCAXGIGLE-UHFFFAOYSA-N 1 0 389.237 2.516 20 0 GFADRO C[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccc(Cl)cn2)[C@H]1c1cccs1 ZINC000364612481 563759084 /nfs/dbraw/zinc/75/90/84/563759084.db2.gz BKKFLNUYFMIKML-ABAIWWIYSA-N 1 0 378.885 2.544 20 0 GFADRO C[C@H]1C[C@H](NC(=O)Nc2cc(F)c(I)c(F)c2)CC[NH2+]1 ZINC000415114395 563759771 /nfs/dbraw/zinc/75/97/71/563759771.db2.gz GDSOTSUDKHHAKV-JGVFFNPUSA-N 1 0 395.191 2.831 20 0 GFADRO Brc1ccc(C[NH2+][C@@H]2CCc3c[nH]nc3C2)c(N2CCOCC2)c1 ZINC000364679194 563761206 /nfs/dbraw/zinc/76/12/06/563761206.db2.gz RHGUELGRSUNUBA-MRXNPFEDSA-N 1 0 391.313 2.656 20 0 GFADRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)Nc1cc(Br)ccc1-n1cccn1 ZINC000415158717 563761246 /nfs/dbraw/zinc/76/12/46/563761246.db2.gz IUNQNNHBYLNZGW-VXGBXAGGSA-N 1 0 378.274 2.836 20 0 GFADRO CN(C(=O)Nc1cc(Br)ccc1-n1cccn1)[C@H](C[NH3+])C1CC1 ZINC000415167127 563761668 /nfs/dbraw/zinc/76/16/68/563761668.db2.gz STRUSOYIPYLCMT-OAHLLOKOSA-N 1 0 378.274 2.836 20 0 GFADRO Cc1nn(-c2ccc(Cl)c(Cl)c2)c(NC(=O)N(CC[NH3+])CCO)c1C ZINC000415183379 563761826 /nfs/dbraw/zinc/76/18/26/563761826.db2.gz CLVGACLJTKPANZ-UHFFFAOYSA-N 1 0 386.283 2.581 20 0 GFADRO C[C@H]1CN(C(=O)Nc2cc(Br)ccc2-n2cccn2)CC[C@H]1[NH3+] ZINC000415169029 563761998 /nfs/dbraw/zinc/76/19/98/563761998.db2.gz VRXLDMKVWNUDPL-WCQYABFASA-N 1 0 378.274 2.836 20 0 GFADRO CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)NCc1cc(F)cc(Br)c1 ZINC000364722246 563762476 /nfs/dbraw/zinc/76/24/76/563762476.db2.gz FDPJBTZPQXIARB-VBQJREDUSA-N 1 0 385.277 2.737 20 0 GFADRO C[NH+]1CCC([C@@H]2CCN(C(=O)c3nc(C4CC4)ncc3Br)C2)CC1 ZINC000291897352 563763509 /nfs/dbraw/zinc/76/35/09/563763509.db2.gz ZCQRYYNJNJIZPL-CQSZACIVSA-N 1 0 393.329 2.920 20 0 GFADRO O=C(NCC[C@@H]1CC[NH2+]C1)Nc1ccc(F)cc1I ZINC000415249551 563763502 /nfs/dbraw/zinc/76/35/02/563763502.db2.gz JRHFWKRLIUVONC-VIFPVBQESA-N 1 0 377.201 2.551 20 0 GFADRO COc1ccc(CN2CCC[C@]3(CNC(=O)O3)C2)c(Br)c1OC ZINC000364797508 563763952 /nfs/dbraw/zinc/76/39/52/563763952.db2.gz HJQYEVLSMHMVMQ-INIZCTEOSA-N 1 0 385.258 2.541 20 0 GFADRO CN(C(=O)Nc1ccc(F)cc1I)[C@H](C[NH3+])C1CC1 ZINC000415253079 563764150 /nfs/dbraw/zinc/76/41/50/563764150.db2.gz PGDNCGFPOURTON-GFCCVEGCSA-N 1 0 377.201 2.631 20 0 GFADRO CCC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(F)c(Br)c2)CC1 ZINC000441976884 563766158 /nfs/dbraw/zinc/76/61/58/563766158.db2.gz MENGTCYIZDWILW-UHFFFAOYSA-N 1 0 386.265 2.517 20 0 GFADRO COC(=O)c1ccc(S(=O)(=O)NCC[N@H+](C)C2CCCCC2)cc1Cl ZINC000441976022 563766255 /nfs/dbraw/zinc/76/62/55/563766255.db2.gz BKIYSCAHSFDPMU-UHFFFAOYSA-N 1 0 388.917 2.669 20 0 GFADRO O=C(Nc1ccc(Cl)c(Br)c1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000415305705 563766300 /nfs/dbraw/zinc/76/63/00/563766300.db2.gz XCPMGLMFVLNZIP-LBPRGKRZSA-N 1 0 387.709 2.614 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)C(=O)NCC1([NH3+])CCCCCC1 ZINC000415318294 563766879 /nfs/dbraw/zinc/76/68/79/563766879.db2.gz QPGIHMUKPKZKAH-UHFFFAOYSA-N 1 0 382.302 2.864 20 0 GFADRO CCC[NH+]1CCC(NC(=O)C(=O)Nc2cc(Br)ccc2F)CC1 ZINC000441997049 563767183 /nfs/dbraw/zinc/76/71/83/563767183.db2.gz ICONJBWHTAEJME-UHFFFAOYSA-N 1 0 386.265 2.517 20 0 GFADRO CCOC(=O)c1c(NC(=O)N2CC[C@@H]([NH3+])[C@@H](C)C2)sc2c1CCSC2 ZINC000415326544 563767414 /nfs/dbraw/zinc/76/74/14/563767414.db2.gz ANYKHZBOOJHYTJ-CMPLNLGQSA-N 1 0 383.539 2.915 20 0 GFADRO C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1NC(=O)Nc1cccc(Br)n1 ZINC000364890955 563767627 /nfs/dbraw/zinc/76/76/27/563767627.db2.gz XOFMPMNRVCAEOJ-HZSPNIEDSA-N 1 0 397.317 2.855 20 0 GFADRO CCOC(=O)c1c(NC(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)sc2c1CCSC2 ZINC000415341622 563768230 /nfs/dbraw/zinc/76/82/30/563768230.db2.gz PDPGUCWTDHSRJS-GHMZBOCLSA-N 1 0 383.539 2.963 20 0 GFADRO COC(=O)C[C@H](NC(=O)CC[C@@H]1CCC[NH2+]1)c1cccc(Br)c1 ZINC000291998070 563768299 /nfs/dbraw/zinc/76/82/99/563768299.db2.gz BWQUKBCPGYXNCE-GJZGRUSLSA-N 1 0 383.286 2.702 20 0 GFADRO C[C@@H](CO)[N@@H+]1CCCN(C(=O)c2cc(Cl)cc(Br)c2)CC1 ZINC000364922264 563768931 /nfs/dbraw/zinc/76/89/31/563768931.db2.gz MORVBXBQPJBTMZ-NSHDSACASA-N 1 0 375.694 2.631 20 0 GFADRO CCOC(=O)c1cc(Br)ccc1NC(=O)NCC[C@H]1CCC[NH2+]1 ZINC000415347272 563768975 /nfs/dbraw/zinc/76/89/75/563768975.db2.gz IOOHFJPVKMPHDE-GFCCVEGCSA-N 1 0 384.274 2.889 20 0 GFADRO C[C@H]1C[C@H](NC(=O)Nc2cnn(-c3ccccc3Br)c2)CC[NH2+]1 ZINC000415353558 563769394 /nfs/dbraw/zinc/76/93/94/563769394.db2.gz MQWICVVFODGYQR-NWDGAFQWSA-N 1 0 378.274 2.897 20 0 GFADRO CCOC(=O)c1cc(Br)ccc1NC(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000415355456 563769919 /nfs/dbraw/zinc/76/99/19/563769919.db2.gz TZQQYMFZYFFJSR-ZWNOBZJWSA-N 1 0 384.274 2.745 20 0 GFADRO CCOC(=O)c1cc(Br)ccc1NC(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000415357619 563769977 /nfs/dbraw/zinc/76/99/77/563769977.db2.gz WOHOQBXRWCPZSB-GHMZBOCLSA-N 1 0 384.274 2.827 20 0 GFADRO O=C(NCC[C@@H]1CCC[NH2+]C1)Nc1cccc(F)c1I ZINC000415356323 563770127 /nfs/dbraw/zinc/77/01/27/563770127.db2.gz HLJJLWOSRXNBMM-JTQLQIEISA-N 1 0 391.228 2.942 20 0 GFADRO Cn1cc([C@H]2[C@H](CNC(=O)c3cc(Cl)cc(Cl)n3)CCC[N@@H+]2C)cn1 ZINC000364961066 563770403 /nfs/dbraw/zinc/77/04/03/563770403.db2.gz OABVAPNXXFCBPU-MEDUHNTESA-N 1 0 382.295 2.935 20 0 GFADRO O=S(=O)(N1CCC(C[NH2+]C2CCC3(CCCO3)CC2)CC1)C(F)(F)F ZINC000364963673 563770482 /nfs/dbraw/zinc/77/04/82/563770482.db2.gz QWHGYHJINLOEOQ-UHFFFAOYSA-N 1 0 384.464 2.629 20 0 GFADRO C[C@@]1(C[NH3+])CCN(C(=O)Nc2cccc(F)c2I)C1 ZINC000415361441 563770563 /nfs/dbraw/zinc/77/05/63/563770563.db2.gz NBTVUGFYLQRTRX-ZDUSSCGKSA-N 1 0 377.201 2.633 20 0 GFADRO O=C(Nc1cccc(F)c1I)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000415362717 563770584 /nfs/dbraw/zinc/77/05/84/563770584.db2.gz PQPLAUYPVMFKQV-AOOOYVTPSA-N 1 0 389.212 2.789 20 0 GFADRO C[C@H]([NH3+])C1CCN(C(=O)C(=O)Nc2ccc(Br)cc2Cl)CC1 ZINC000415381794 563771198 /nfs/dbraw/zinc/77/11/98/563771198.db2.gz JHWPZTLYNDAPMK-VIFPVBQESA-N 1 0 388.693 2.627 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)c(NC(=O)N2CC[NH2+]CC2)c1C ZINC000415374254 563771417 /nfs/dbraw/zinc/77/14/17/563771417.db2.gz YJMIYOBXQIUEIP-UHFFFAOYSA-N 1 0 378.274 2.689 20 0 GFADRO Cc1cc(F)c(NC(=O)NC2CC[NH2+]CC2)c(I)c1 ZINC000415390444 563771933 /nfs/dbraw/zinc/77/19/33/563771933.db2.gz KHHDDVGGHGFIHY-UHFFFAOYSA-N 1 0 377.201 2.612 20 0 GFADRO Cc1cc(F)c(NC(=O)N[C@@H](C)CCC[NH3+])c(I)c1 ZINC000415400972 563772456 /nfs/dbraw/zinc/77/24/56/563772456.db2.gz IGRNAIAHSXVUSI-VIFPVBQESA-N 1 0 379.217 2.988 20 0 GFADRO COC(=O)c1cc(NC(=O)N2CC[C@H](C)[C@@H](C[NH3+])C2)ccc1Br ZINC000415402195 563773230 /nfs/dbraw/zinc/77/32/30/563773230.db2.gz IMBJXZLGTDNUSA-QWRGUYRKSA-N 1 0 384.274 2.684 20 0 GFADRO CCCN(C(=O)C(=O)Nc1ccc(Cl)cc1Br)[C@H]1CC[NH2+]C1 ZINC000415402509 563773261 /nfs/dbraw/zinc/77/32/61/563773261.db2.gz KDECDASQBPKUAN-NSHDSACASA-N 1 0 388.693 2.642 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)NCC[C@@H]2CCC[NH2+]C2)c(Br)c1 ZINC000415413021 563773748 /nfs/dbraw/zinc/77/37/48/563773748.db2.gz YGIHAXBFTPJZMX-ZDUSSCGKSA-N 1 0 382.302 2.510 20 0 GFADRO CCOc1c(Cl)cc(NC(=O)C(=O)N[C@@H](C[NH3+])CC(C)C)cc1Cl ZINC000415433727 563775772 /nfs/dbraw/zinc/77/57/72/563775772.db2.gz VSEGJTZVTQFPPG-LLVKDONJSA-N 1 0 376.284 2.820 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(Cl)c(Br)c2)C1 ZINC000415436963 563775775 /nfs/dbraw/zinc/77/57/75/563775775.db2.gz KIAHLBWBBWQCDC-NXEZZACHSA-N 1 0 388.693 2.627 20 0 GFADRO CCOCCOc1ccc(Br)cc1NC(=O)N1CC[NH2+][C@H](C)C1 ZINC000415440884 563776257 /nfs/dbraw/zinc/77/62/57/563776257.db2.gz FNWJVSWNPKQRIH-GFCCVEGCSA-N 1 0 386.290 2.690 20 0 GFADRO CC(C)[C@H]([NH3+])CNC(=O)C(=O)Nc1cc(Br)cc(C(F)(F)F)c1 ZINC000415448648 563776340 /nfs/dbraw/zinc/77/63/40/563776340.db2.gz VFHHTLJKUPULGJ-LLVKDONJSA-N 1 0 396.207 2.506 20 0 GFADRO CCOCCOc1ccc(Br)cc1NC(=O)NC1CC[NH2+]CC1 ZINC000415440769 563776348 /nfs/dbraw/zinc/77/63/48/563776348.db2.gz FKPAIHRYHXRDIW-UHFFFAOYSA-N 1 0 386.290 2.738 20 0 GFADRO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)Nc1ccc(Br)c(Cl)c1Cl ZINC000415441875 563776354 /nfs/dbraw/zinc/77/63/54/563776354.db2.gz PKOPHKQUMCAEHH-QMMMGPOBSA-N 1 0 397.100 2.794 20 0 GFADRO COC(=O)c1cc(Br)c(F)cc1NC(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000415465804 563776856 /nfs/dbraw/zinc/77/68/56/563776856.db2.gz GCAAAMOJSLVIKM-RKDXNWHRSA-N 1 0 388.237 2.576 20 0 GFADRO [NH3+]CC[C@H]1CCCN(C(=O)Nc2cc(Br)cnc2-n2cccn2)C1 ZINC000415482410 563778270 /nfs/dbraw/zinc/77/82/70/563778270.db2.gz LKGZOSRIDAOHCK-GFCCVEGCSA-N 1 0 393.289 2.623 20 0 GFADRO [NH3+]CC[C@@H]1CCCN(C(=O)Nc2cc(Br)cnc2-n2cccn2)C1 ZINC000415482414 563778377 /nfs/dbraw/zinc/77/83/77/563778377.db2.gz LKGZOSRIDAOHCK-LBPRGKRZSA-N 1 0 393.289 2.623 20 0 GFADRO C[C@@H]1CN(C[C@@H]2CCS(=O)(=O)C2)C[C@@H](c2cccc(C(F)(F)F)c2)O1 ZINC000292211093 563778387 /nfs/dbraw/zinc/77/83/87/563778387.db2.gz MLJDSSKPGFHKGX-WWGRRREGSA-N 1 0 377.428 2.902 20 0 GFADRO CN(CC(C)(C)C[NH3+])C(=O)C(=O)Nc1cc(Cl)ccc1OC(F)(F)F ZINC000415491148 563779034 /nfs/dbraw/zinc/77/90/34/563779034.db2.gz ZHMMNOZLZBNMEX-UHFFFAOYSA-N 1 0 381.782 2.620 20 0 GFADRO CC[NH+](CC)[C@H](CNS(=O)(=O)c1c(C)csc1C(=O)OC)CC(C)C ZINC000442767210 563779794 /nfs/dbraw/zinc/77/97/94/563779794.db2.gz YDCHVFQPMLOUSV-AWEZNQCLSA-N 1 0 390.571 2.878 20 0 GFADRO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)Nc1ccc(Cl)cc1Br ZINC000415498178 563779842 /nfs/dbraw/zinc/77/98/42/563779842.db2.gz IOSFLQVXCBROOJ-GFCCVEGCSA-N 1 0 390.709 2.873 20 0 GFADRO CCCC[C@H](C[NH3+])NC(=O)C(=O)Nc1ccc(Cl)cc1Br ZINC000415503595 563780369 /nfs/dbraw/zinc/78/03/69/563780369.db2.gz VGGFDPQVGLKWGA-SNVBAGLBSA-N 1 0 376.682 2.675 20 0 GFADRO CO[C@H]1CCCC[C@@H]1[NH2+][C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000442812837 563780586 /nfs/dbraw/zinc/78/05/86/563780586.db2.gz RQXMMWXHXWOGFX-BPNCWPANSA-N 1 0 391.331 2.705 20 0 GFADRO C[NH2+]C[C@@H]1CCCN1C(=O)Nc1nnc(-c2cccc(Br)c2)s1 ZINC000415508971 563780846 /nfs/dbraw/zinc/78/08/46/563780846.db2.gz ZAHYKQHQIPDMRK-LBPRGKRZSA-N 1 0 396.314 3.183 20 0 GFADRO COc1cc(OC)c(NC(=O)N[C@@H]2CC[NH2+]CC2(C)C)cc1Br ZINC000415525693 563782089 /nfs/dbraw/zinc/78/20/89/563782089.db2.gz DOLAIUSQXUVPCZ-CQSZACIVSA-N 1 0 386.290 2.976 20 0 GFADRO O=S1(=O)CC[C@H]([NH2+]C2CCN(c3ncc(-c4ccccc4)s3)CC2)C1 ZINC000365402710 563782215 /nfs/dbraw/zinc/78/22/15/563782215.db2.gz CNRNDRVFVRXWMA-INIZCTEOSA-N 1 0 377.535 2.556 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)Nc2ccnn2Cc2ccccc2Br)C1 ZINC000415523880 563782142 /nfs/dbraw/zinc/78/21/42/563782142.db2.gz RMFITSJTJDWLNU-OLZOCXBDSA-N 1 0 392.301 2.895 20 0 GFADRO C[C@@H]([NH2+]CCNS(=O)(=O)c1ccc(Cl)cc1F)c1cccc(CO)c1 ZINC000442869838 563782214 /nfs/dbraw/zinc/78/22/14/563782214.db2.gz PRTNMAQULDBHHV-GFCCVEGCSA-N 1 0 386.876 2.601 20 0 GFADRO CC(C)c1nccn1[C@@H]1CCCN(C(=O)c2cc(Br)nn2C)C1 ZINC000365407585 563782516 /nfs/dbraw/zinc/78/25/16/563782516.db2.gz XQPCEFFXGIDYLS-GFCCVEGCSA-N 1 0 380.290 2.980 20 0 GFADRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)Nc1ccnn1Cc1cccc(Br)c1 ZINC000415526668 563782702 /nfs/dbraw/zinc/78/27/02/563782702.db2.gz JFBVQFOVMTZPHV-OCCSQVGLSA-N 1 0 392.301 2.895 20 0 GFADRO O=S1(=O)CCCN1CC[NH2+][C@H]1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000442876234 563782885 /nfs/dbraw/zinc/78/28/85/563782885.db2.gz PJLGKQWVPBDDCP-HOCLYGCPSA-N 1 0 376.444 2.967 20 0 GFADRO C[C@H]([NH3+])CCNC(=O)Nc1nc2ccc(I)cc2s1 ZINC000415530215 563783277 /nfs/dbraw/zinc/78/32/77/563783277.db2.gz RLKRRPWMGWHQAE-ZETCQYMHSA-N 1 0 390.250 2.760 20 0 GFADRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)Nc1cccnc1-c1ccc(Cl)s1 ZINC000415542110 563783810 /nfs/dbraw/zinc/78/38/10/563783810.db2.gz PKOAOGJGZVEMLF-MNOVXSKESA-N 1 0 378.885 2.598 20 0 GFADRO C[NH2+]CCC1CCN(C(=O)C(=O)Nc2ccc(Br)c(C)c2)CC1 ZINC000415546107 563783992 /nfs/dbraw/zinc/78/39/92/563783992.db2.gz BXXRUYJSLIEJQY-UHFFFAOYSA-N 1 0 382.302 2.544 20 0 GFADRO C[NH2+]CCC1CCN(C(=O)C(=O)Nc2cccc(C)c2Br)CC1 ZINC000415551614 563784651 /nfs/dbraw/zinc/78/46/51/563784651.db2.gz OZEPWBAYBYRHNO-UHFFFAOYSA-N 1 0 382.302 2.544 20 0 GFADRO C[NH2+]CCCNC(=O)Nc1cc(OC)c(Br)cc1Br ZINC000415589918 563785727 /nfs/dbraw/zinc/78/57/27/563785727.db2.gz QKBQWRJBZZEIMB-UHFFFAOYSA-N 1 0 395.095 2.951 20 0 GFADRO COC(=O)c1c(Br)ccc(NC(=O)NCCC[NH2+]C2CC2)c1C ZINC000415591658 563785794 /nfs/dbraw/zinc/78/57/94/563785794.db2.gz AVTSUBVLROPMPI-UHFFFAOYSA-N 1 0 384.274 2.808 20 0 GFADRO COC(=O)c1c(Br)ccc(NC(=O)N[C@H]2CC[NH2+]C2(C)C)c1C ZINC000415594866 563786321 /nfs/dbraw/zinc/78/63/21/563786321.db2.gz GTUABAZVSQBFNF-LBPRGKRZSA-N 1 0 384.274 2.806 20 0 GFADRO COC(=O)c1c(C)c(NC(=O)N[C@H]2CC[C@H](C[NH3+])C2)ccc1Br ZINC000415594414 563786357 /nfs/dbraw/zinc/78/63/57/563786357.db2.gz GIDDPIWDWRGTBQ-QWRGUYRKSA-N 1 0 384.274 2.793 20 0 GFADRO CC[C@@H](C)Sc1ccc(NC(=O)C(=O)N[C@H](C)C[NH3+])c(C(F)(F)F)c1 ZINC000415593638 563786413 /nfs/dbraw/zinc/78/64/13/563786413.db2.gz FFBVESCFNFUVTP-NXEZZACHSA-N 1 0 377.432 2.998 20 0 GFADRO COc1ccc(NC(=O)N[C@@H]2CC[NH2+]C2(C)C)c(I)c1 ZINC000415600804 563786827 /nfs/dbraw/zinc/78/68/27/563786827.db2.gz UBMHDENTNCUXTR-GFCCVEGCSA-N 1 0 389.237 2.562 20 0 GFADRO C[NH2+][C@H]1CCCN(C(=O)Nc2cc(Br)c(F)c(C(=O)OC)c2)C1 ZINC000415603518 563787094 /nfs/dbraw/zinc/78/70/94/563787094.db2.gz DIGMZVQWYYYBIQ-VIFPVBQESA-N 1 0 388.237 2.591 20 0 GFADRO COC(=O)c1cc(NC(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)cc(Br)c1F ZINC000415608729 563787368 /nfs/dbraw/zinc/78/73/68/563787368.db2.gz LYZTZMUXQIQWTD-RKDXNWHRSA-N 1 0 388.237 2.624 20 0 GFADRO CCOc1c(Cl)cc(NC(=O)C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)cc1Cl ZINC000415604356 563787476 /nfs/dbraw/zinc/78/74/76/563787476.db2.gz PATSGTIEGUVSKG-QGZVFWFLSA-N 1 0 386.279 2.543 20 0 GFADRO CN1CC[NH+](C[C@@H]2CCCN(C(=O)[C@@H]3SCCc4sccc43)C2)CC1 ZINC000365592051 563788511 /nfs/dbraw/zinc/78/85/11/563788511.db2.gz HJANETBCPSTLST-MAUKXSAKSA-N 1 0 379.595 2.565 20 0 GFADRO C[C@H]1CCN(C(=O)Nc2nnc(-c3ccc(Cl)cc3F)s2)C[C@@H]1C[NH3+] ZINC000415630387 563788898 /nfs/dbraw/zinc/78/88/98/563788898.db2.gz LDHLQQBYHAGBBX-UWVGGRQHSA-N 1 0 383.880 3.446 20 0 GFADRO COC(=O)c1cc(F)c(Br)cc1NC(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000415630283 563788933 /nfs/dbraw/zinc/78/89/33/563788933.db2.gz DDBFHBLHJYHTDY-OAHLLOKOSA-N 1 0 388.237 2.577 20 0 GFADRO CN(C[C@@H](O)C[NH3+])C(=O)Nc1cccnc1Oc1ccc(Cl)cc1Cl ZINC000415634197 563789371 /nfs/dbraw/zinc/78/93/71/563789371.db2.gz RXJJIBXMJWGDHZ-NSHDSACASA-N 1 0 385.251 2.964 20 0 GFADRO CC(C)c1cc(Br)ccc1NC(=O)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000415638418 563789377 /nfs/dbraw/zinc/78/93/77/563789377.db2.gz BNFTWEIJQURIHF-CHWSQXEVSA-N 1 0 382.302 2.897 20 0 GFADRO [NH3+]CC[C@H](NC(=O)Nc1nnc(-c2ccc(Cl)cc2F)s1)C(F)F ZINC000415635569 563789424 /nfs/dbraw/zinc/78/94/24/563789424.db2.gz VBVJQCTWFYVZPF-VIFPVBQESA-N 1 0 379.795 3.102 20 0 GFADRO C[C@@H](CCC[NH3+])NC(=O)Nc1cc(Br)cc(C(=O)N2CCCC2)c1 ZINC000415633157 563789510 /nfs/dbraw/zinc/78/95/10/563789510.db2.gz HJMICHJAOUSSND-LBPRGKRZSA-N 1 0 397.317 2.934 20 0 GFADRO O=C(Nc1ccc(C(F)(F)F)cc1Cl)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000415639016 563789968 /nfs/dbraw/zinc/78/99/68/563789968.db2.gz CEHWXWWZPAPJKH-PHIMTYICSA-N 1 0 375.778 2.650 20 0 GFADRO CC(C)(C)[C@@H]1C[C@@H]([NH2+]CCNS(=O)(=O)c2ccc(F)cc2F)CS1 ZINC000443068759 563790052 /nfs/dbraw/zinc/79/00/52/563790052.db2.gz LLCPRKHGKDSYED-DOMZBBRYSA-N 1 0 378.510 2.753 20 0 GFADRO Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000292605739 563791181 /nfs/dbraw/zinc/79/11/81/563791181.db2.gz UAUMGGNMZSGUMN-RYUDHWBXSA-N 1 0 378.826 2.806 20 0 GFADRO [NH3+]CC[C@@H]1CCCN(C(=O)C(=O)Nc2cc(Cl)cc(Br)c2)C1 ZINC000415677788 563791205 /nfs/dbraw/zinc/79/12/05/563791205.db2.gz NHWGNVOYCALSCI-JTQLQIEISA-N 1 0 388.693 2.628 20 0 GFADRO COC[C@]1(CNC(=O)Nc2cccc(Br)c2Cl)CCC[NH2+]1 ZINC000415692558 563791256 /nfs/dbraw/zinc/79/12/56/563791256.db2.gz OPLJHFDFTGKSAT-CQSZACIVSA-N 1 0 376.682 2.993 20 0 GFADRO [NH3+]CC[C@@H](NC(=O)Nc1ccc2c(c1)N(CC(F)F)CCS2)C(F)F ZINC000415697061 563791869 /nfs/dbraw/zinc/79/18/69/563791869.db2.gz SYQJMSSRTJGWSQ-SNVBAGLBSA-N 1 0 380.411 2.968 20 0 GFADRO [NH3+]CC[C@H](NC(=O)Nc1ccc2c(c1)N(CC(F)F)CCS2)C(F)F ZINC000415697060 563791909 /nfs/dbraw/zinc/79/19/09/563791909.db2.gz SYQJMSSRTJGWSQ-JTQLQIEISA-N 1 0 380.411 2.968 20 0 GFADRO CNC(=O)c1cccc(NC(=O)NC[C@@H]2[NH2+]CCCC2(C)C)c1Br ZINC000415704385 563792010 /nfs/dbraw/zinc/79/20/10/563792010.db2.gz HIEVKQVOGLCKEZ-ZDUSSCGKSA-N 1 0 397.317 2.708 20 0 GFADRO COC(=O)c1cc(NC(=O)N2C[C@@H](C)[C@](C)(C[NH3+])C2)c(C)cc1Br ZINC000415709431 563792466 /nfs/dbraw/zinc/79/24/66/563792466.db2.gz PIHNENIADGAEMK-PIGZYNQJSA-N 1 0 398.301 2.993 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)Nc2cccc3cc(Br)cnc32)CCCO1 ZINC000415718793 563793321 /nfs/dbraw/zinc/79/33/21/563793321.db2.gz GQXOKHVPSBTKGU-CYBMUJFWSA-N 1 0 379.258 2.579 20 0 GFADRO CC[C@H](NC(=O)CCNC(=O)Nc1ccc(Br)cc1)c1ncc[nH]1 ZINC000443135648 563793375 /nfs/dbraw/zinc/79/33/75/563793375.db2.gz QRUXXNMASMLRRB-ZDUSSCGKSA-N 1 0 394.273 2.951 20 0 GFADRO C[C@@H](CCCC[NH3+])NC(=O)C(=O)Nc1ccc(Cl)cc1Br ZINC000415749089 563793722 /nfs/dbraw/zinc/79/37/22/563793722.db2.gz ZWYZKWGTUPIYAZ-VIFPVBQESA-N 1 0 376.682 2.675 20 0 GFADRO C[C@@H](CCCC[NH3+])NC(=O)C(=O)Nc1cc(F)c(Br)c(Cl)c1 ZINC000415736647 563793802 /nfs/dbraw/zinc/79/38/02/563793802.db2.gz BBYLNYBCVWJXTG-QMMMGPOBSA-N 1 0 394.672 2.814 20 0 GFADRO C[C@@H](CCCC[NH3+])NC(=O)C(=O)Nc1cccc2cc(Br)cnc21 ZINC000415743258 563793887 /nfs/dbraw/zinc/79/38/87/563793887.db2.gz OABVVAOWCNLGHD-NSHDSACASA-N 1 0 393.285 2.570 20 0 GFADRO C[C@@H](CCCC[NH3+])NC(=O)C(=O)Nc1cccc(Cl)c1OCC(F)F ZINC000415743109 563793961 /nfs/dbraw/zinc/79/39/61/563793961.db2.gz NMOSLZSKTXEQIT-JTQLQIEISA-N 1 0 377.819 2.556 20 0 GFADRO C[C@@H](CCCC[NH3+])NC(=O)C(=O)Nc1cc(Cl)ccc1OC(F)(F)F ZINC000415748255 563793964 /nfs/dbraw/zinc/79/39/64/563793964.db2.gz YHENJLKFBQENSX-VIFPVBQESA-N 1 0 381.782 2.811 20 0 GFADRO CCSc1cccc(Br)c1NC(=O)NCCN1CC[NH2+]CC1 ZINC000415733186 563794007 /nfs/dbraw/zinc/79/40/07/563794007.db2.gz AXMHOIJXJTYYKU-UHFFFAOYSA-N 1 0 387.347 2.588 20 0 GFADRO Cc1cccc(NC(=O)C(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)c1Br ZINC000415768460 563795615 /nfs/dbraw/zinc/79/56/15/563795615.db2.gz VQBVRTLGLFCHKC-CQSZACIVSA-N 1 0 394.313 2.544 20 0 GFADRO O=C(Nc1ccc(C(F)(F)F)cc1Cl)C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000415774482 563796349 /nfs/dbraw/zinc/79/63/49/563796349.db2.gz YLFNTDXGYVEWMV-BXKDBHETSA-N 1 0 375.778 2.508 20 0 GFADRO CC[NH+](CC)[C@H](CNC(=O)c1nn(C)cc1Br)Cc1ccccc1 ZINC000292827321 563796707 /nfs/dbraw/zinc/79/67/07/563796707.db2.gz PKCMHMDEMCWYMB-HNNXBMFYSA-N 1 0 393.329 2.866 20 0 GFADRO [NH3+][C@@H]1CCC[C@H](CNC(=O)C(=O)Nc2ccc(C(F)(F)F)cc2Cl)C1 ZINC000415805851 563797683 /nfs/dbraw/zinc/79/76/83/563797683.db2.gz JOPRCUODGZRLLR-GXSJLCMTSA-N 1 0 377.794 2.931 20 0 GFADRO O=C(NCCC[C@H]1CCC[NH2+]1)C(=O)Nc1ccc(Cl)c(OC(F)F)c1 ZINC000415810583 563797773 /nfs/dbraw/zinc/79/77/73/563797773.db2.gz XMYWLWCMEUEAGM-SNVBAGLBSA-N 1 0 375.803 2.528 20 0 GFADRO O=C(Nc1cc(Cl)cc(Br)c1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000415811293 563797793 /nfs/dbraw/zinc/79/77/93/563797793.db2.gz YMQGUVCPLIDLCH-CQSZACIVSA-N 1 0 387.709 2.614 20 0 GFADRO Cc1cc(NC(=O)C(=O)NC[C@H]2CCC[C@H]([NH3+])C2)cc(C)c1Br ZINC000415814524 563798370 /nfs/dbraw/zinc/79/83/70/563798370.db2.gz QZQZGQCEKLQCBM-STQMWFEESA-N 1 0 382.302 2.638 20 0 GFADRO Cc1nc2cc(Cl)c(NC(=O)C(=O)NC[C@H]3CCC[C@H]([NH3+])C3)cc2s1 ZINC000415818805 563798527 /nfs/dbraw/zinc/79/85/27/563798527.db2.gz XBJWPPQSMBBTPX-QWRGUYRKSA-N 1 0 380.901 2.830 20 0 GFADRO C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)C[C@@H]1C[NH3+] ZINC000415843268 563799180 /nfs/dbraw/zinc/79/91/80/563799180.db2.gz ICSPQZUQASBUDM-ZJUUUORDSA-N 1 0 377.794 2.741 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000415869592 563799741 /nfs/dbraw/zinc/79/97/41/563799741.db2.gz LBHCNOZWYRFBSA-GZBFAFLISA-N 1 0 394.313 2.509 20 0 GFADRO Cc1c(I)cccc1C(=O)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000366181214 563800525 /nfs/dbraw/zinc/80/05/25/563800525.db2.gz XGUUXEYDYXIXHP-ZDUSSCGKSA-N 1 0 384.261 2.910 20 0 GFADRO [NH3+]CC[C@H](NC(=O)NCCc1ccc(F)c(Br)c1)C(F)(F)F ZINC000415994544 563802047 /nfs/dbraw/zinc/80/20/47/563802047.db2.gz LJLMMAHJVPUMDI-NSHDSACASA-N 1 0 386.187 2.710 20 0 GFADRO CN(CCc1ccc(Br)cc1)C(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000416002768 563802103 /nfs/dbraw/zinc/80/21/03/563802103.db2.gz FVDSOYCOIFBALE-GFCCVEGCSA-N 1 0 382.224 2.913 20 0 GFADRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(Cc2ccnc(Br)c2)CC1 ZINC000293133572 563802061 /nfs/dbraw/zinc/80/20/61/563802061.db2.gz PXYXSKMALYUDAU-HOTGVXAUSA-N 1 0 381.362 2.835 20 0 GFADRO C[C@@H](CNC(=O)N[C@@H](CC[NH3+])C(F)(F)F)Oc1ccc(Br)cc1 ZINC000416016716 563802654 /nfs/dbraw/zinc/80/26/54/563802654.db2.gz XMGOPXGFLNDQOQ-CABZTGNLSA-N 1 0 398.223 2.795 20 0 GFADRO [NH3+]CC[C@H](NC(=O)N1CCc2cccc(Br)c2C1)C(F)(F)F ZINC000416011137 563802703 /nfs/dbraw/zinc/80/27/03/563802703.db2.gz RCTZZGRNLYCYLR-LBPRGKRZSA-N 1 0 380.208 2.797 20 0 GFADRO COC(=O)c1ccc(S(=O)(=O)[N-]c2cccc3c2CN(C)C3)cc1Cl ZINC000366286167 563804103 /nfs/dbraw/zinc/80/41/03/563804103.db2.gz TZXJUYJGHFDNHC-UHFFFAOYSA-N 1 0 380.853 2.873 20 0 GFADRO COC(=O)c1cc(N2CC[N@H+](C)C[C@H]2C)c2cc(Br)ccc2n1 ZINC000443438178 563805487 /nfs/dbraw/zinc/80/54/87/563805487.db2.gz DGEWLZOSXNDEIG-LLVKDONJSA-N 1 0 378.270 2.924 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)C2CCN(C(=O)c3ccc(Cl)s3)CC2)C1 ZINC000366344460 563806293 /nfs/dbraw/zinc/80/62/93/563806293.db2.gz FLQSYVFGYOUQFN-OCCSQVGLSA-N 1 0 383.945 2.840 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)Cc1ccc(Br)cc1 ZINC000366429415 563808259 /nfs/dbraw/zinc/80/82/59/563808259.db2.gz NDCOTSNNPCQACI-ZACQAIPSSA-N 1 0 381.314 2.702 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2C(=O)Cc1ccc(Br)cc1 ZINC000366429412 563808294 /nfs/dbraw/zinc/80/82/94/563808294.db2.gz NDCOTSNNPCQACI-BRWVUGGUSA-N 1 0 381.314 2.702 20 0 GFADRO O=C(c1[nH]nc(-c2ccccc2)c1Br)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000366602725 563815211 /nfs/dbraw/zinc/81/52/11/563815211.db2.gz RJFMPTFYZWVVPN-STQMWFEESA-N 1 0 375.270 2.663 20 0 GFADRO CN(C(=O)CNC(=O)c1cccc(Br)c1)C(C)(C)C[NH+]1CCCC1 ZINC000416336139 563815961 /nfs/dbraw/zinc/81/59/61/563815961.db2.gz XZRHVMGBEIOTSI-UHFFFAOYSA-N 1 0 396.329 2.512 20 0 GFADRO CC1(C)CCC[N@H+](CCNS(=O)(=O)c2ccccc2OC(F)(F)F)C1 ZINC000443969728 563817039 /nfs/dbraw/zinc/81/70/39/563817039.db2.gz SIWFMYUHRORKRQ-UHFFFAOYSA-N 1 0 380.432 2.986 20 0 GFADRO COC(=O)c1ccc(Cl)cc1S(=O)(=O)NCC[N@@H+]1CCCC(C)(C)C1 ZINC000443979520 563817205 /nfs/dbraw/zinc/81/72/05/563817205.db2.gz OSEUKLIBRXSRAP-UHFFFAOYSA-N 1 0 388.917 2.527 20 0 GFADRO CC1(C)CCC[N@H+](CCNS(=O)(=O)c2cc(F)ccc2Br)C1 ZINC000443986949 563817561 /nfs/dbraw/zinc/81/75/61/563817561.db2.gz GPKSCEUPTQCDEG-UHFFFAOYSA-N 1 0 393.322 2.989 20 0 GFADRO COC(=O)c1c(Cl)cccc1S(=O)(=O)NCC1([NH+](C)C)CCCCC1 ZINC000416366028 563818465 /nfs/dbraw/zinc/81/84/65/563818465.db2.gz CBPQBOOOLSHUEK-UHFFFAOYSA-N 1 0 388.917 2.669 20 0 GFADRO CSc1ccccc1S(=O)(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000444073078 563820791 /nfs/dbraw/zinc/82/07/91/563820791.db2.gz PHSLLFLKDUEOBW-UHFFFAOYSA-N 1 0 376.547 2.786 20 0 GFADRO Cn1cc2c(n1)CCC[C@H]2[NH2+][C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000366838390 563821628 /nfs/dbraw/zinc/82/16/28/563821628.db2.gz BHPOCGICHOQXHI-NVXWUHKLSA-N 1 0 389.297 2.955 20 0 GFADRO O=C([C@@H]1C[C@@]12CC[NH2+]C2)N1CCC[C@@H]1c1ccccc1I ZINC000444120766 563821951 /nfs/dbraw/zinc/82/19/51/563821951.db2.gz XCSFHKPQAGAGHY-YSVLISHTSA-N 1 0 396.272 2.954 20 0 GFADRO O=C([C@@H]1C[C@]12CC[NH2+]C2)N1CCC[C@H]1c1ccccc1I ZINC000444120765 563822044 /nfs/dbraw/zinc/82/20/44/563822044.db2.gz XCSFHKPQAGAGHY-QRTARXTBSA-N 1 0 396.272 2.954 20 0 GFADRO O=C(Nc1cc(-c2cc(Br)ccc2Cl)[nH]n1)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000444116767 563822072 /nfs/dbraw/zinc/82/20/72/563822072.db2.gz QTCKEKCFLPLCKY-BDJLRTHQSA-N 1 0 395.688 3.431 20 0 GFADRO CCO[C@H]1C[C@@]([NH3+])(C(=O)NCc2cc(OC)ccc2Br)C1(C)C ZINC000444143019 563822731 /nfs/dbraw/zinc/82/27/31/563822731.db2.gz QEHJUTVWXPZTTE-WMLDXEAASA-N 1 0 385.302 2.606 20 0 GFADRO COc1nc(NCCC[N@@H+]2CCc3ccccc3C2)ncc1Br ZINC000444127343 563822793 /nfs/dbraw/zinc/82/27/93/563822793.db2.gz CHJOXMQRJTYMAR-UHFFFAOYSA-N 1 0 377.286 3.108 20 0 GFADRO COC(=O)c1c(Cl)cccc1S(=O)(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000416400583 563823041 /nfs/dbraw/zinc/82/30/41/563823041.db2.gz RPVZTQPMVKWPGM-AWEZNQCLSA-N 1 0 390.933 2.771 20 0 GFADRO Cc1c2cc(Br)ccc2sc1C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000293804500 563824096 /nfs/dbraw/zinc/82/40/96/563824096.db2.gz RGXNODJVSKDJAP-CYBMUJFWSA-N 1 0 396.354 2.948 20 0 GFADRO CS[C@@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2F)C[C@@H]1[NH+](C)C ZINC000444213249 563824865 /nfs/dbraw/zinc/82/48/65/563824865.db2.gz NGOLNHRXVXTWFY-NWDGAFQWSA-N 1 0 386.436 2.511 20 0 GFADRO O=C(CC1([NH+]2CCOCC2)CCCC1)N[C@@H](c1nccs1)C(F)(F)F ZINC000293874719 563827103 /nfs/dbraw/zinc/82/71/03/563827103.db2.gz IBCTZRSBRXIISE-ZDUSSCGKSA-N 1 0 377.432 2.898 20 0 GFADRO OCC1([C@H]([NH2+]Cc2cc3c(cc2Br)OCO3)C2CC2)CCOCC1 ZINC000293953689 563828237 /nfs/dbraw/zinc/82/82/37/563828237.db2.gz IXHJJOIYSSNWEC-QGZVFWFLSA-N 1 0 398.297 2.835 20 0 GFADRO COc1cc(S(=O)(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)ccc1Cl ZINC000416443455 563829448 /nfs/dbraw/zinc/82/94/48/563829448.db2.gz ZIWZXVSIHHKSIY-SUMWQHHRSA-N 1 0 384.929 2.986 20 0 GFADRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)c1c[nH]c2ccc(Br)cc21 ZINC000444390226 563831408 /nfs/dbraw/zinc/83/14/08/563831408.db2.gz TXYLISBNNHXTFK-GFCCVEGCSA-N 1 0 394.313 2.848 20 0 GFADRO C[C@H]1CN(C(=O)c2cc(F)c(F)cc2Br)CC[N@@H+]1CC(C)(C)O ZINC000444552960 563833396 /nfs/dbraw/zinc/83/33/96/563833396.db2.gz QCFPWXVYTJHIKC-JTQLQIEISA-N 1 0 391.256 2.645 20 0 GFADRO CC[C@@H]1CCCC[C@@H]1[N@H+](C)CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl ZINC000444666802 563834634 /nfs/dbraw/zinc/83/46/34/563834634.db2.gz SLWDEYWRSHNJIQ-WBMJQRKESA-N 1 0 387.933 2.827 20 0 GFADRO CC[C@H]1CCCC[C@H]1[N@H+](C)CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl ZINC000444666798 563834937 /nfs/dbraw/zinc/83/49/37/563834937.db2.gz SLWDEYWRSHNJIQ-BLLLJJGKSA-N 1 0 387.933 2.827 20 0 GFADRO O=C(N[C@H](c1ccc(F)c(Cl)c1)C(F)(F)F)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000444762064 563836548 /nfs/dbraw/zinc/83/65/48/563836548.db2.gz PPJWHWYPEYKXHA-UONOGXRCSA-N 1 0 379.785 2.589 20 0 GFADRO CC[NH+]1CCC(NC(=O)c2ccc(I)cc2F)CC1 ZINC000294264319 563836735 /nfs/dbraw/zinc/83/67/35/563836735.db2.gz DNGCYMVALIRGGC-UHFFFAOYSA-N 1 0 376.213 2.644 20 0 GFADRO COC(=O)[C@@H](c1cc(Cl)cc(Cl)c1)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000444800976 563837329 /nfs/dbraw/zinc/83/73/29/563837329.db2.gz LUAOCCQHRWIDSN-BLLLJJGKSA-N 1 0 389.323 2.985 20 0 GFADRO CCO[C@H]1C[C@](CO)([NH2+]CC(=O)Nc2ccc(Br)c(C)c2)C1(C)C ZINC000444791890 563837812 /nfs/dbraw/zinc/83/78/12/563837812.db2.gz MDPCMNQJDSTWLS-MAUKXSAKSA-N 1 0 399.329 2.852 20 0 GFADRO CS(=O)(=O)N1CC[C@@H](C[N@@H+]2CC[C@@H](c3ccc(C(F)(F)F)cc3)C2)C1 ZINC000367305022 563840148 /nfs/dbraw/zinc/84/01/48/563840148.db2.gz JHKCVBMIHRJUIK-DZGCQCFKSA-N 1 0 376.444 2.776 20 0 GFADRO COc1cc(Br)c(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)cc1OC ZINC000294457567 563843233 /nfs/dbraw/zinc/84/32/33/563843233.db2.gz HYLPJUFYGMHJCK-NSHDSACASA-N 1 0 383.286 2.680 20 0 GFADRO CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+][C@H]2COc3cc(F)c(Br)cc32)C1 ZINC000294580768 563847135 /nfs/dbraw/zinc/84/71/35/563847135.db2.gz GXBQQTNEIHKJAH-RBZYPMLTSA-N 1 0 392.290 2.967 20 0 GFADRO COC(=O)[C@@H](C)C[NH+]1CCC(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000367558430 563848694 /nfs/dbraw/zinc/84/86/94/563848694.db2.gz BBQNPAHUXHVYJY-LBPRGKRZSA-N 1 0 383.286 2.909 20 0 GFADRO Cc1cc(Br)c(S(=O)(=O)NCC[C@H]2CCC[N@@H+](C)C2)s1 ZINC000416563362 563848917 /nfs/dbraw/zinc/84/89/17/563848917.db2.gz YAPYNAFZWMKFLJ-LLVKDONJSA-N 1 0 381.361 2.829 20 0 GFADRO Cc1cccc(CCC[NH2+]C2CCN(S(=O)(=O)c3cccs3)CC2)n1 ZINC000367595930 563849771 /nfs/dbraw/zinc/84/97/71/563849771.db2.gz OJORCJWPEOSUEW-UHFFFAOYSA-N 1 0 379.551 2.827 20 0 GFADRO CC[C@@H](Cc1cccc(Br)c1)C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000367595968 563849996 /nfs/dbraw/zinc/84/99/96/563849996.db2.gz OLQQAEVRNXXWAR-WMZOPIPTSA-N 1 0 394.357 2.524 20 0 GFADRO COCc1ncc(C(=O)N[C@@H]2CC[N@H+](Cc3cnc(C)s3)C[C@H]2C)s1 ZINC000367614227 563850632 /nfs/dbraw/zinc/85/06/32/563850632.db2.gz FXFFSIXWEZEAOQ-BXUZGUMPSA-N 1 0 380.539 2.695 20 0 GFADRO CCC[C@@]1(C)C(=O)NCC[N@H+]1CCC(=O)Nc1ccc(Br)cc1 ZINC000445887606 563855759 /nfs/dbraw/zinc/85/57/59/563855759.db2.gz UEAPFWSZWVNWRA-KRWDZBQOSA-N 1 0 382.302 2.768 20 0 GFADRO Cc1nnc(N2CCC([NH2+][C@H](CO)c3cccc(Br)c3)CC2)s1 ZINC000367818191 563856682 /nfs/dbraw/zinc/85/66/82/563856682.db2.gz GUPXTQAQGBURHV-OAHLLOKOSA-N 1 0 397.342 2.901 20 0 GFADRO C[C@@H]1CCC[C@@](CNC(=O)Cc2cc[nH]c(=O)c2Br)([NH+](C)C)C1 ZINC000446110479 563859084 /nfs/dbraw/zinc/85/90/84/563859084.db2.gz YFUMTGYTOJPSRW-SJKOYZFVSA-N 1 0 384.318 2.719 20 0 GFADRO O[C@@H](COCC(F)(F)F)C[N@@H+]1CCC[C@H](c2nc(C(F)(F)F)c[nH]2)C1 ZINC000367926360 563859601 /nfs/dbraw/zinc/85/96/01/563859601.db2.gz FQDBKUDZKOIUIP-VHSXEESVSA-N 1 0 375.313 2.548 20 0 GFADRO C[N@@H+]1C[C@@H]2CN(S(=O)(=O)CCCC(F)(F)F)C[C@@H]2[C@@H]1c1ccccc1 ZINC000367954090 563860295 /nfs/dbraw/zinc/86/02/95/563860295.db2.gz FRFIVKZFPKEDDJ-PMPSAXMXSA-N 1 0 376.444 2.893 20 0 GFADRO C[C@@H](CNC(=O)[C@@H]1C[C@H]1C1CC[NH2+]CC1)Oc1ccccc1Br ZINC000367991780 563861444 /nfs/dbraw/zinc/86/14/44/563861444.db2.gz CKFTZVCQATXQKO-AEGPPILISA-N 1 0 381.314 2.968 20 0 GFADRO O=S(=O)(Cc1ccccc1C(F)(F)F)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000368126639 563864513 /nfs/dbraw/zinc/86/45/13/563864513.db2.gz TWNDYXABKIKFQZ-AWEZNQCLSA-N 1 0 376.444 2.857 20 0 GFADRO C[C@H](NC(=O)N1C[C@@H](C[NH3+])C[C@@H]1C)c1cc2c(cc1Br)OCCO2 ZINC000417168583 563869690 /nfs/dbraw/zinc/86/96/90/563869690.db2.gz AUHBPUHBWHYRHN-SDDRHHMPSA-N 1 0 398.301 2.660 20 0 GFADRO C[NH+](C)Cc1ccsc1C(=O)N[C@@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000446889185 563870011 /nfs/dbraw/zinc/87/00/11/563870011.db2.gz SXFMTUNVTIOQGW-OAHLLOKOSA-N 1 0 377.897 2.998 20 0 GFADRO C[C@H]([NH3+])CCNC(=O)NCC1(c2cccc(Br)c2)CCOCC1 ZINC000417184357 563871494 /nfs/dbraw/zinc/87/14/94/563871494.db2.gz SLQQPARUURJZDP-ZDUSSCGKSA-N 1 0 384.318 2.534 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)NCCC(=O)Nc1ccc(Br)cc1 ZINC000417209774 563873291 /nfs/dbraw/zinc/87/32/91/563873291.db2.gz CXISQXCNBGZSIL-DOMZBBRYSA-N 1 0 397.317 2.689 20 0 GFADRO COc1c(Br)cccc1C[NH2+][C@@H]1CCCN(c2ccnn2C)C1 ZINC000447076434 563874400 /nfs/dbraw/zinc/87/44/00/563874400.db2.gz NGAGFQYVFPETFE-CQSZACIVSA-N 1 0 379.302 2.950 20 0 GFADRO C[N@@H+]1CC[C@H]2CCN(C(=O)c3cc(F)ccc3I)C[C@@H]21 ZINC000368589408 563874629 /nfs/dbraw/zinc/87/46/29/563874629.db2.gz IUNHEYKYNOHXIY-HZMBPMFUSA-N 1 0 388.224 2.597 20 0 GFADRO COc1ccc(CNC(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)cc1Br ZINC000368603309 563875322 /nfs/dbraw/zinc/87/53/22/563875322.db2.gz QHJOJGMEGCMAQD-ZFWWWQNUSA-N 1 0 382.302 2.693 20 0 GFADRO C[C@@]1(C[NH3+])CCN(C(=O)NC[C@@H]2CCN(c3cccc(Br)c3)C2)C1 ZINC000417260909 563875768 /nfs/dbraw/zinc/87/57/68/563875768.db2.gz JWZWDNPYUXUFDJ-KSSFIOAISA-N 1 0 395.345 2.656 20 0 GFADRO CSc1cc(NC(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)ccc1Cl ZINC000417284531 563876833 /nfs/dbraw/zinc/87/68/33/563876833.db2.gz AEPCPDMBLZOGPX-LBPRGKRZSA-N 1 0 384.933 2.771 20 0 GFADRO O=C(NCCC[C@H]1CCC[NH2+]1)NCc1cc(Br)c2c(c1)OCCO2 ZINC000417303602 563877700 /nfs/dbraw/zinc/87/77/00/563877700.db2.gz SQWLOLRUWQRGER-CYBMUJFWSA-N 1 0 398.301 2.552 20 0 GFADRO COc1cc(Cl)c(S(=O)(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc1Cl ZINC000447251895 563877980 /nfs/dbraw/zinc/87/79/80/563877980.db2.gz QAANEMOMPMGTAO-OUJBWJOFSA-N 1 0 379.309 2.750 20 0 GFADRO COCC1(CNC(=O)NCc2c(C)cc(Br)cc2C)CC[NH2+]CC1 ZINC000417356768 563878683 /nfs/dbraw/zinc/87/86/83/563878683.db2.gz FQJMXTAJCSIVLX-UHFFFAOYSA-N 1 0 398.345 2.881 20 0 GFADRO COC[C@H](C)OC[C@H](O)C[NH2+][C@@H](C)c1ccc(Br)cc1OC ZINC000447270932 563879116 /nfs/dbraw/zinc/87/91/16/563879116.db2.gz KTFKYHAULDAQBQ-SGMGOOAPSA-N 1 0 376.291 2.521 20 0 GFADRO COc1ccc(Br)cc1CNC(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000417384946 563879268 /nfs/dbraw/zinc/87/92/68/563879268.db2.gz QPRIWJPZLJLFON-AWEZNQCLSA-N 1 0 396.329 2.989 20 0 GFADRO O=C(NCC[C@@H]1CC[NH2+]C1)NCc1cc(Br)ccc1OC(F)F ZINC000417413443 563879820 /nfs/dbraw/zinc/87/98/20/563879820.db2.gz VSGYHMWJPGZAFO-JTQLQIEISA-N 1 0 392.244 2.849 20 0 GFADRO COc1ccc(CNC(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)cc1Br ZINC000417433634 563879997 /nfs/dbraw/zinc/87/99/97/563879997.db2.gz VZYLEOZJHPNAAC-HNNXBMFYSA-N 1 0 396.329 2.989 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000417489482 563881038 /nfs/dbraw/zinc/88/10/38/563881038.db2.gz QHJUJENKFCVKFS-TZMCWYRMSA-N 1 0 397.317 2.526 20 0 GFADRO CCCC[C@H](C[NH3+])NC(=O)NCCC(=O)Nc1ccc(Br)cc1C ZINC000417491503 563881159 /nfs/dbraw/zinc/88/11/59/563881159.db2.gz SYMFVNWBEUONPR-CQSZACIVSA-N 1 0 399.333 2.903 20 0 GFADRO C[C@H](CNC(=O)N1CCN([C@H]2CC[NH2+]C2)CC1)c1c(Cl)cccc1Cl ZINC000417483060 563881178 /nfs/dbraw/zinc/88/11/78/563881178.db2.gz JMCVRBDFXSBKDZ-KGLIPLIRSA-N 1 0 385.339 2.786 20 0 GFADRO CO[C@H](C[NH3+])CC(=O)NCC1(c2ccc(Cl)cc2Cl)CCOCC1 ZINC000447441588 563881670 /nfs/dbraw/zinc/88/16/70/563881670.db2.gz PNBAGYQTDVTBFT-ZDUSSCGKSA-N 1 0 375.296 2.522 20 0 GFADRO CN1CC[NH+](C[C@@H]2CCCN(C(=O)c3cc(Br)ccc3F)C2)CC1 ZINC000368979788 563883216 /nfs/dbraw/zinc/88/32/16/563883216.db2.gz VFLJOGNQOPBHOS-AWEZNQCLSA-N 1 0 398.320 2.688 20 0 GFADRO C[NH+](C)CCN1CCCN(C(=O)c2cc3ccc(Br)cc3[nH]2)CC1 ZINC000369013072 563884336 /nfs/dbraw/zinc/88/43/36/563884336.db2.gz XTVAWMUHSQELOW-UHFFFAOYSA-N 1 0 393.329 2.640 20 0 GFADRO C[NH2+]C[C@@H]1CCCN(C(=O)N[C@@H]2CCN(c3ccccc3Br)C2)C1 ZINC000417605638 563886151 /nfs/dbraw/zinc/88/61/51/563886151.db2.gz YXFGEANCIVZWKL-LSDHHAIUSA-N 1 0 395.345 2.669 20 0 GFADRO O=C(NCC1(c2cccc(Br)c2)CC1)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000417660225 563886526 /nfs/dbraw/zinc/88/65/26/563886526.db2.gz MUEMYUSVSFNEQS-KBPBESRZSA-N 1 0 378.314 2.732 20 0 GFADRO O=C(NCC1(c2cccc(Br)c2)CC1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000417664594 563886793 /nfs/dbraw/zinc/88/67/93/563886793.db2.gz WYWISPNGJFHNJC-QGZVFWFLSA-N 1 0 378.314 2.876 20 0 GFADRO C[N@@H+]1CCCC(C)(C)[C@H]1CNc1ccc(S(N)(=O)=O)c(C(F)(F)F)c1 ZINC000447818159 563887208 /nfs/dbraw/zinc/88/72/08/563887208.db2.gz VDBWAEYHTNBLKR-CQSZACIVSA-N 1 0 379.448 2.885 20 0 GFADRO CC1(C)C[N@H+](C[C@H](O)COc2ccc(Cl)cc2Br)C[C@@H]1O ZINC000447801103 563887247 /nfs/dbraw/zinc/88/72/47/563887247.db2.gz YYDPFLRQCHDBTL-FZMZJTMJSA-N 1 0 378.694 2.545 20 0 GFADRO CCCC[C@H](C[NH3+])NC(=O)NCc1nnc(-c2ccc(Br)cc2)[nH]1 ZINC000417722837 563887368 /nfs/dbraw/zinc/88/73/68/563887368.db2.gz GTAAIOTTZUPECZ-CYBMUJFWSA-N 1 0 395.305 2.551 20 0 GFADRO CS[C@@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)c(F)c2)C[C@H]1[NH+](C)C ZINC000447867281 563888221 /nfs/dbraw/zinc/88/82/21/563888221.db2.gz CNTVUAKYRWRPSZ-CHWSQXEVSA-N 1 0 386.436 2.511 20 0 GFADRO C[C@H](CNC(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1)Oc1ccc(Br)cc1 ZINC000417769342 563888783 /nfs/dbraw/zinc/88/87/83/563888783.db2.gz DJSJNKOJMWMPFH-MGPQQGTHSA-N 1 0 384.318 2.904 20 0 GFADRO C[C@H](CNC(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1)Oc1cccc(Br)c1 ZINC000417789598 563889230 /nfs/dbraw/zinc/88/92/30/563889230.db2.gz HPODZAFAJIZROT-MGPQQGTHSA-N 1 0 384.318 2.843 20 0 GFADRO C[C@@H](CNC(=O)N1CCC[C@H](CC[NH3+])C1)Oc1cccc(Br)c1 ZINC000417803023 563889796 /nfs/dbraw/zinc/88/97/96/563889796.db2.gz XTGXAPFDJUMSQL-UONOGXRCSA-N 1 0 384.318 2.987 20 0 GFADRO C[C@H](CNC(=O)N1CC[C@H](C)[C@H](C[NH3+])C1)Oc1ccccc1Br ZINC000417824867 563889902 /nfs/dbraw/zinc/88/99/02/563889902.db2.gz MGTMRNHVOSISKV-BFHYXJOUSA-N 1 0 384.318 2.843 20 0 GFADRO O=C(NCCCc1ccc(Cl)cc1Cl)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000417810468 563889946 /nfs/dbraw/zinc/88/99/46/563889946.db2.gz IJXWMIPWOHKZFB-INIZCTEOSA-N 1 0 385.339 2.615 20 0 GFADRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2S(=O)(=O)c2ccc(C(F)(F)F)c(F)c2)C1 ZINC000447881731 563890165 /nfs/dbraw/zinc/89/01/65/563890165.db2.gz ZSOUIJZWTIXDJC-IAQYHMDHSA-N 1 0 380.407 2.949 20 0 GFADRO Cc1nn(C)c(C[NH2+]C[C@H](Cc2ccccc2Cl)C(N)=O)c1Br ZINC000447894518 563890491 /nfs/dbraw/zinc/89/04/91/563890491.db2.gz UAPLRXKBABNRAF-LBPRGKRZSA-N 1 0 399.720 2.578 20 0 GFADRO CC[C@@H]([NH3+])CNC(=O)N[C@H](C)c1nc(-c2ccc(Br)cc2)no1 ZINC000417898888 563890894 /nfs/dbraw/zinc/89/08/94/563890894.db2.gz SALZMOJJAWBNHQ-BXKDBHETSA-N 1 0 382.262 2.597 20 0 GFADRO CCC[NH2+]CCNC(=O)N[C@H](C)c1nc(-c2ccc(Br)cc2)no1 ZINC000417896141 563891067 /nfs/dbraw/zinc/89/10/67/563891067.db2.gz PJSVQFWVSWBTPH-LLVKDONJSA-N 1 0 396.289 2.859 20 0 GFADRO C[NH+]1CCC(N2CC[C@H](NC(=O)c3csc(-c4ccsc4)n3)C2)CC1 ZINC000369279948 563891247 /nfs/dbraw/zinc/89/12/47/563891247.db2.gz ZXEHZOZMSOMDBE-AWEZNQCLSA-N 1 0 376.551 2.770 20 0 GFADRO COc1ccc(C[NH2+][C@H]2CCCN(Cc3noc(C)n3)C2)cc1Br ZINC000369269915 563891416 /nfs/dbraw/zinc/89/14/16/563891416.db2.gz KCDLGHUJPZJBFN-AWEZNQCLSA-N 1 0 395.301 2.903 20 0 GFADRO C[C@@H](NC(=O)N1CC[C@@H](C[NH3+])C1)c1nc(-c2ccc(Br)cc2)no1 ZINC000417903066 563891510 /nfs/dbraw/zinc/89/15/10/563891510.db2.gz YUEPBCJMXKHUQM-MNOVXSKESA-N 1 0 394.273 2.550 20 0 GFADRO CC(C)(CNC(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1)c1ccccc1Br ZINC000417915054 563891593 /nfs/dbraw/zinc/89/15/93/563891593.db2.gz TXASJRVZBCYIBV-KBPBESRZSA-N 1 0 380.330 2.978 20 0 GFADRO [NH3+]C1CCN(C(=O)NCCCOc2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000417952340 563892278 /nfs/dbraw/zinc/89/22/78/563892278.db2.gz CGMIGZJJCFFRKZ-UHFFFAOYSA-N 1 0 380.798 2.655 20 0 GFADRO O=C(NCc1ccc(Br)cc1C(F)(F)F)N1CCC[NH2+]CC1 ZINC000417961364 563893180 /nfs/dbraw/zinc/89/31/80/563893180.db2.gz YJWRGNBOYYPHGC-UHFFFAOYSA-N 1 0 380.208 2.973 20 0 GFADRO CO[C@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000417981527 563893528 /nfs/dbraw/zinc/89/35/28/563893528.db2.gz JZHNFNRPYNMUBB-ISTRZQFTSA-N 1 0 384.318 2.905 20 0 GFADRO O=C(N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1)N[C@@H]1C[NH2+]CCC1(F)F ZINC000417975109 563893837 /nfs/dbraw/zinc/89/38/37/563893837.db2.gz AAJBCRRYURHHOR-QMTHXVAHSA-N 1 0 393.265 2.869 20 0 GFADRO [NH3+]CC[C@H](NC(=O)N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1)C(F)F ZINC000418001940 563894707 /nfs/dbraw/zinc/89/47/07/563894707.db2.gz LQKGWOPVLYVRAN-ZANVPECISA-N 1 0 381.254 2.854 20 0 GFADRO C[C@H]1[NH2+]CCN(C(=O)NCCc2c[nH]c3ccc(Br)cc23)[C@H]1C ZINC000418006095 563895206 /nfs/dbraw/zinc/89/52/06/563895206.db2.gz PTFPJOCNERDXHM-NEPJUHHUSA-N 1 0 379.302 2.865 20 0 GFADRO C[C@@H]([NH3+])C1CCN(C(=O)NCc2cc(Br)cc3c2OCC3)CC1 ZINC000418009664 563895253 /nfs/dbraw/zinc/89/52/53/563895253.db2.gz IOCAOTVGWAURNC-LLVKDONJSA-N 1 0 382.302 2.653 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)NCc1cc(Br)cc2c1OCC2 ZINC000418020399 563895576 /nfs/dbraw/zinc/89/55/76/563895576.db2.gz ZWVKAGPPLXPNNW-IAQYHMDHSA-N 1 0 382.302 2.795 20 0 GFADRO [NH3+]C[C@@H]1CCCCN1C(=O)NCCc1c[nH]c2ccc(Br)cc12 ZINC000418013124 563895730 /nfs/dbraw/zinc/89/57/30/563895730.db2.gz YOVKTILLIBMMBH-AWEZNQCLSA-N 1 0 379.302 2.996 20 0 GFADRO CCCOC[C@H](Cc1cccc(Br)c1)NC(=O)N[C@@H](C)CC[NH3+] ZINC000418029678 563896112 /nfs/dbraw/zinc/89/61/12/563896112.db2.gz LOJVSKOYWWNMEG-BBRMVZONSA-N 1 0 386.334 2.823 20 0 GFADRO [NH3+]C1CCC(NC(=O)NCc2cnn(-c3ccc(Br)cc3)c2)CC1 ZINC000418086180 563898083 /nfs/dbraw/zinc/89/80/83/563898083.db2.gz CEFOTZSVCPULSP-UHFFFAOYSA-N 1 0 392.301 2.704 20 0 GFADRO C[C@H]1C[C@H](NC(=O)NCc2cnn(-c3ccc(Br)cc3)c2)CC[NH2+]1 ZINC000418085884 563898194 /nfs/dbraw/zinc/89/81/94/563898194.db2.gz BJJMHHSEWNVISA-SWLSCSKDSA-N 1 0 392.301 2.575 20 0 GFADRO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000418081983 563898221 /nfs/dbraw/zinc/89/82/21/563898221.db2.gz PBLCYUZQVMAHQR-ZLKJLUDKSA-N 1 0 385.295 2.525 20 0 GFADRO O=C(N[C@H]1CSc2ccc(Br)cc21)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000418092073 563898506 /nfs/dbraw/zinc/89/85/06/563898506.db2.gz FDWZCVOUBVBOEK-BBRMVZONSA-N 1 0 382.327 2.991 20 0 GFADRO C[NH+](C)CCN1CCN(C(=O)c2cc(Cl)c(Br)cc2F)CC1 ZINC000448600089 563898612 /nfs/dbraw/zinc/89/86/12/563898612.db2.gz CJQIKUSPPDZJNT-UHFFFAOYSA-N 1 0 392.700 2.561 20 0 GFADRO CCCC[C@H](C[NH3+])NC(=O)N[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000418096632 563898687 /nfs/dbraw/zinc/89/86/87/563898687.db2.gz KMNGLYYTNZLQGN-CABCVRRESA-N 1 0 383.334 2.845 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)CNC(=O)Nc1cccc(Cl)c1)c1cccs1 ZINC000448584521 563898771 /nfs/dbraw/zinc/89/87/71/563898771.db2.gz FCGWHKZAAUDQKT-CQSZACIVSA-N 1 0 380.901 2.942 20 0 GFADRO CCn1cncc1C[NH2+]C[C@H](CO)Cc1cc(Br)ccc1OC ZINC000418108675 563898911 /nfs/dbraw/zinc/89/89/11/563898911.db2.gz BGXDVJSUSLGRCP-CYBMUJFWSA-N 1 0 382.302 2.615 20 0 GFADRO C[C@H](CCc1ccc(I)cc1)NC(=O)N[C@@H](C)[C@H](C)[NH3+] ZINC000418119140 563899459 /nfs/dbraw/zinc/89/94/59/563899459.db2.gz XGUDMYBKMLVNLJ-WOPDTQHZSA-N 1 0 389.281 2.647 20 0 GFADRO COc1cc(Br)c(C[NH2+][C@H]2CCN(CC(F)F)C2)cc1OC ZINC000418133785 563899986 /nfs/dbraw/zinc/89/99/86/563899986.db2.gz LHFGJNNMWPRXOO-NSHDSACASA-N 1 0 379.245 2.895 20 0 GFADRO O=C(N[C@H]1CCOc2c(Br)cccc21)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000418153281 563900300 /nfs/dbraw/zinc/90/03/00/563900300.db2.gz IIZFJCJQBDRKJO-XUJVJEKNSA-N 1 0 380.286 2.809 20 0 GFADRO COc1cc(Br)ccc1CNC(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000418161651 563900476 /nfs/dbraw/zinc/90/04/76/563900476.db2.gz ZVPFNYHIAIXJAV-QGZVFWFLSA-N 1 0 382.302 2.743 20 0 GFADRO O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(I)cc1F ZINC000448726487 563900508 /nfs/dbraw/zinc/90/05/08/563900508.db2.gz TZPFZPJOBUVCAD-RYUDHWBXSA-N 1 0 388.224 2.787 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)NCc2cnc(-c3ccc(Cl)cc3)s2)CCCO1 ZINC000418180771 563900774 /nfs/dbraw/zinc/90/07/74/563900774.db2.gz KSTZXCCTCKPZIN-CQSZACIVSA-N 1 0 380.901 2.723 20 0 GFADRO C[NH+](C)CCn1ccc(NC(=O)c2cc3c(ccc(F)c3Br)[nH]2)n1 ZINC000448830288 563901451 /nfs/dbraw/zinc/90/14/51/563901451.db2.gz HEIXZLHGNWCJJO-UHFFFAOYSA-N 1 0 394.248 3.080 20 0 GFADRO CC[N@@H+]1CCC[C@H](CNC(=O)c2cc(OC)c(OC)cc2Br)C1 ZINC000448822825 563901678 /nfs/dbraw/zinc/90/16/78/563901678.db2.gz LWLPSQPTXWTQEP-GFCCVEGCSA-N 1 0 385.302 2.928 20 0 GFADRO C[C@@H]1C[N@@H+](C2CCN(C(=O)Cc3sccc3Br)CC2)CCO1 ZINC000448942749 563903332 /nfs/dbraw/zinc/90/33/32/563903332.db2.gz SSXJEHDDGRWINH-GFCCVEGCSA-N 1 0 387.343 2.765 20 0 GFADRO Cc1ccc(Br)cc1CC(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000448967207 563904183 /nfs/dbraw/zinc/90/41/83/563904183.db2.gz HTBIBBZGWSCZND-INIZCTEOSA-N 1 0 395.341 2.871 20 0 GFADRO CC[N@@H+](Cc1cc(Br)ccc1O[C@@H](C)C(=O)NC)C[C@@H]1CCCO1 ZINC000449017452 563905076 /nfs/dbraw/zinc/90/50/76/563905076.db2.gz HJMCIQWQGCEFGK-BBRMVZONSA-N 1 0 399.329 2.963 20 0 GFADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[N@@H+]1CC[C@]2(CCOC2)C1 ZINC000449038052 563906191 /nfs/dbraw/zinc/90/61/91/563906191.db2.gz RDSRROXZDJNZPR-ACJLOTCBSA-N 1 0 397.313 2.575 20 0 GFADRO O=C1NC2(CCCC2)C(=O)N1CCC[NH2+]Cc1cccc(F)c1Br ZINC000449063458 563906476 /nfs/dbraw/zinc/90/64/76/563906476.db2.gz PHPNBBPIRMQZRS-UHFFFAOYSA-N 1 0 398.276 2.933 20 0 GFADRO COCCNS(=O)(=O)c1ccc(C[NH2+]C2CCC(CSC)CC2)cc1 ZINC000449103378 563906794 /nfs/dbraw/zinc/90/67/94/563906794.db2.gz PYYVDTFQXRINEF-UHFFFAOYSA-N 1 0 386.583 2.623 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+][C@H]1CCC[C@]1(C)CO ZINC000449171622 563907347 /nfs/dbraw/zinc/90/73/47/563907347.db2.gz IFPWGPWXJIGWKB-ULFGMLNVSA-N 1 0 399.329 2.603 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1CNC[C@H](C)[N@H+](C)C1CC1 ZINC000449134863 563907435 /nfs/dbraw/zinc/90/74/35/563907435.db2.gz LVOCRDXXUIARHU-STQMWFEESA-N 1 0 398.345 2.535 20 0 GFADRO CC[C@H]([NH2+][C@@H]1CCc2c1ccc(F)c2Br)C(=O)N1CCOCC1 ZINC000449174768 563907919 /nfs/dbraw/zinc/90/79/19/563907919.db2.gz IMNQCEGSRIQZAG-LSDHHAIUSA-N 1 0 385.277 2.803 20 0 GFADRO O=C1[C@H]([NH2+][C@H]2CCc3c2ccc(F)c3Br)CCN1C1CCOCC1 ZINC000449176991 563907942 /nfs/dbraw/zinc/90/79/42/563907942.db2.gz OBHRPJFHFORPIZ-JKSUJKDBSA-N 1 0 397.288 2.945 20 0 GFADRO COCCO[C@H]1COCC[C@H]1[NH2+]Cc1ccnc2c(Br)cccc12 ZINC000449258769 564178090 /nfs/dbraw/zinc/17/80/90/564178090.db2.gz QYDNRXRUPWVZMF-SJORKVTESA-N 1 0 395.297 2.907 20 0 GFADRO COC(=O)COC[C@@H](C)[NH2+][C@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O ZINC000449281307 564178363 /nfs/dbraw/zinc/17/83/63/564178363.db2.gz YZEPDDGUKJTQIJ-RISCZKNCSA-N 1 0 389.279 2.657 20 0 GFADRO [NH3+]CC1(C(=O)N2CCN(Cc3ccc(Br)cc3)CC2)CCCC1 ZINC000563204912 564180083 /nfs/dbraw/zinc/18/00/83/564180083.db2.gz AYPNLNJIQPVCNM-UHFFFAOYSA-N 1 0 380.330 2.612 20 0 GFADRO C[C@@H](C[N@@H+]1CCC[C@H](CNS(C)(=O)=O)C1)c1cccc(Br)c1 ZINC000505302787 564180141 /nfs/dbraw/zinc/18/01/41/564180141.db2.gz ZICNUARMYAFCIC-UONOGXRCSA-N 1 0 389.359 2.814 20 0 GFADRO O=C(CCCS(=O)(=O)c1ccc(Cl)cc1)NCC[NH+]1CCCCCC1 ZINC000505376134 564181123 /nfs/dbraw/zinc/18/11/23/564181123.db2.gz ZMRABHURGJAMJY-UHFFFAOYSA-N 1 0 386.945 2.886 20 0 GFADRO C[C@@H]1[C@@H](C(F)(F)F)CC[N@@H+]1CCOc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000470946955 564181369 /nfs/dbraw/zinc/18/13/69/564181369.db2.gz HTKDJTDCLSDEQM-DOMZBBRYSA-N 1 0 380.432 2.588 20 0 GFADRO CCOc1cc(C[NH2+]CC[C@@](C)(O)COC)cc(Br)c1OC ZINC000449380384 564182914 /nfs/dbraw/zinc/18/29/14/564182914.db2.gz MRLQFBDCOYHPNF-MRXNPFEDSA-N 1 0 376.291 2.734 20 0 GFADRO CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+]CCOCC(F)(F)F)cc1 ZINC000505463061 564183713 /nfs/dbraw/zinc/18/37/13/564183713.db2.gz WRTWRWNQGZYYBR-ZDUSSCGKSA-N 1 0 382.448 2.947 20 0 GFADRO Cc1c[nH]c(C(C)(C)NC(=O)COc2cccc(I)c2)n1 ZINC000563286522 564184109 /nfs/dbraw/zinc/18/41/09/564184109.db2.gz TVKRLXLRCYRQBQ-UHFFFAOYSA-N 1 0 399.232 2.753 20 0 GFADRO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]C[C@@H]1CCCN1CCCO ZINC000449389520 564184567 /nfs/dbraw/zinc/18/45/67/564184567.db2.gz SNKGMORRAHLWLD-PBHICJAKSA-N 1 0 398.345 2.603 20 0 GFADRO COCC[N@@H+]1CC[C@@H](NC(=O)Nc2cc(F)c(Br)c(F)c2)C1 ZINC000538208645 564184849 /nfs/dbraw/zinc/18/48/49/564184849.db2.gz SJTZVWQAOHLENT-SECBINFHSA-N 1 0 378.217 2.570 20 0 GFADRO O=S(=O)(c1ccc(Br)s1)N1CCN(CCCCCF)CC1 ZINC000563307315 564185646 /nfs/dbraw/zinc/18/56/46/564185646.db2.gz UGWRTTTZNIPPFT-UHFFFAOYSA-N 1 0 399.351 2.957 20 0 GFADRO COC(=O)c1ccc(C[N@@H+]2C[C@H](O)C[C@H]2[C@@H]2CCCOC2)c(Br)c1 ZINC000449432400 564186054 /nfs/dbraw/zinc/18/60/54/564186054.db2.gz HIEWBEOTWBDLEK-INMHGKMJSA-N 1 0 398.297 2.598 20 0 GFADRO C[C@@H](NC(=O)c1cc[nH]c(=O)c1Br)[C@H](c1ccccc1)[NH+](C)C ZINC000505597376 564186582 /nfs/dbraw/zinc/18/65/82/564186582.db2.gz SFUUAWWIAZWBES-IAQYHMDHSA-N 1 0 378.270 2.971 20 0 GFADRO CCN(C)C(=O)[C@@H]([NH2+]Cc1cnc2c(C)cc(Br)cn12)C(C)C ZINC000449440900 564187052 /nfs/dbraw/zinc/18/70/52/564187052.db2.gz NTBDNEPYVXLBNL-HNNXBMFYSA-N 1 0 381.318 2.998 20 0 GFADRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3COc4ccc(Br)cc43)C2)C1 ZINC000505661280 564187695 /nfs/dbraw/zinc/18/76/95/564187695.db2.gz UDGOIHZBOICXFQ-MAUKXSAKSA-N 1 0 379.298 2.869 20 0 GFADRO CN(C(=O)C1(c2cccc(Br)c2)CC(=O)C1)[C@H]1CCC[N@H+](C)C1 ZINC000538334079 564188154 /nfs/dbraw/zinc/18/81/54/564188154.db2.gz PSJXSAPBDZMHPH-HNNXBMFYSA-N 1 0 379.298 2.602 20 0 GFADRO O=C(Cc1cccc(I)c1)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000471239156 564189960 /nfs/dbraw/zinc/18/99/60/564189960.db2.gz ZWLYYPSOWNVQSO-LSDHHAIUSA-N 1 0 384.261 2.577 20 0 GFADRO CSCCCCNC(=O)C(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000505779509 564190186 /nfs/dbraw/zinc/19/01/86/564190186.db2.gz XIRAUXLHUOXFRN-ZBFHGGJFSA-N 1 0 383.583 2.507 20 0 GFADRO Cc1ccc(C[C@H](CO)C[NH2+][C@H]2CN(C3CC3)C[C@H]2C)cc1Br ZINC000449599496 564191028 /nfs/dbraw/zinc/19/10/28/564191028.db2.gz LESUXYGAQZGQRE-ALKREAHSSA-N 1 0 381.358 2.981 20 0 GFADRO C[C@@H]1C[C@@H]([NH2+]C[C@H](CO)Cc2cc(Br)ccc2F)CN1C1CC1 ZINC000449600616 564191214 /nfs/dbraw/zinc/19/12/14/564191214.db2.gz OTAKLDYCHQAOBV-XJKCOSOUSA-N 1 0 385.321 2.954 20 0 GFADRO Cc1ccc(C[C@@H](CO)C[NH2+][C@@H]2CCC(=O)NC2(C)C)cc1Br ZINC000449599439 564191243 /nfs/dbraw/zinc/19/12/43/564191243.db2.gz KVTPNGCRDWFVOG-GDBMZVCRSA-N 1 0 383.330 2.555 20 0 GFADRO CNC(=O)C[C@@H](C)[NH2+]Cc1c(C)nn(-c2ccc(Br)cc2)c1C ZINC000449603436 564192053 /nfs/dbraw/zinc/19/20/53/564192053.db2.gz QTONTZZLSXEGCP-LLVKDONJSA-N 1 0 379.302 2.866 20 0 GFADRO Cc1cc(C(=O)N2C[C@H](C)[NH2+]C[C@@H]2C)nn1-c1ccc(Br)cc1 ZINC000505885687 564192254 /nfs/dbraw/zinc/19/22/54/564192254.db2.gz UMKNRNQQJAZCII-AAEUAGOBSA-N 1 0 377.286 2.766 20 0 GFADRO OC1CCN(CC[NH2+]Cc2cccc(Br)c2OC(F)F)CC1 ZINC000449650572 564192867 /nfs/dbraw/zinc/19/28/67/564192867.db2.gz ZZKZMHDTPQHWOD-UHFFFAOYSA-N 1 0 379.245 2.597 20 0 GFADRO CN(C)C(=O)[C@@H]1CC[C@@H](C[NH2+][C@H]2CCc3cccc(Br)c3C2)O1 ZINC000563501761 564194702 /nfs/dbraw/zinc/19/47/02/564194702.db2.gz DSQJWMMXVFBTHF-ZQIUZPCESA-N 1 0 381.314 2.532 20 0 GFADRO O=C(CC[NH2+][C@@H]1CCO[C@]2(CCOC2)C1)Nc1cccc(Br)c1 ZINC000563528719 564195279 /nfs/dbraw/zinc/19/52/79/564195279.db2.gz BVGWINCZDFJKRM-NVXWUHKLSA-N 1 0 383.286 2.705 20 0 GFADRO COc1ccc(C[NH2+]C[C@H](CO)Cc2ccc(F)c(Br)c2)cn1 ZINC000449681140 564195640 /nfs/dbraw/zinc/19/56/40/564195640.db2.gz IAUBULPCCJZHRA-CQSZACIVSA-N 1 0 383.261 2.933 20 0 GFADRO CC(=O)N[C@H](CC(=O)N[C@H]1CC[NH2+]CC1(C)C)c1ccc(Br)cc1 ZINC000449699943 564196914 /nfs/dbraw/zinc/19/69/14/564196914.db2.gz RUFQZXUMMDGXOA-CVEARBPZSA-N 1 0 396.329 2.521 20 0 GFADRO Cc1cc(CN2CC[NH+]([C@H]3CCNC(=O)CC3)CC2)ccc1Br ZINC000449700097 564197153 /nfs/dbraw/zinc/19/71/53/564197153.db2.gz PJQFGTXSTDCGAZ-MRXNPFEDSA-N 1 0 380.330 2.544 20 0 GFADRO CN(C(=O)NCCNc1ncc(C(F)(F)F)cc1Cl)C1CC[NH2+]CC1 ZINC000563559035 564197197 /nfs/dbraw/zinc/19/71/97/564197197.db2.gz UGTCGSDMHFPIJX-UHFFFAOYSA-N 1 0 379.814 2.559 20 0 GFADRO C[C@@H]1C[C@@H]([NH2+]C[C@H](CO)Cc2ccc(F)c(Br)c2)CN1C1CC1 ZINC000449686170 564197178 /nfs/dbraw/zinc/19/71/78/564197178.db2.gz VKXNNYOHRZWTST-BPLDGKMQSA-N 1 0 385.321 2.954 20 0 GFADRO [NH3+]C[C@@H]1CC[C@H](NC(=O)CCc2nc(-c3cc(Br)cs3)no2)C1 ZINC000449723926 564198631 /nfs/dbraw/zinc/19/86/31/564198631.db2.gz XRYYEHUTSIPOFZ-KOLCDFICSA-N 1 0 399.314 2.737 20 0 GFADRO [NH3+]CC[C@@H](NC(=O)CCc1nc(-c2ccc(Cl)cc2)no1)C(F)(F)F ZINC000449721805 564198695 /nfs/dbraw/zinc/19/86/95/564198695.db2.gz PEZZFFLIXKPMRO-LLVKDONJSA-N 1 0 376.766 2.719 20 0 GFADRO CC(C)C[C@@H]([NH3+])c1noc(CN2c3ccc(Br)cc3OCC2=O)n1 ZINC000563623681 564199115 /nfs/dbraw/zinc/19/91/15/564199115.db2.gz LUIVWMUULBEOTR-LLVKDONJSA-N 1 0 395.257 2.804 20 0 GFADRO Cc1cc(C(=O)N[C@H]2CC[NH2+]C2(C)C)nn1-c1ccc(Br)cc1 ZINC000449755128 564200833 /nfs/dbraw/zinc/20/08/33/564200833.db2.gz SICILAPEXOZEAE-HNNXBMFYSA-N 1 0 377.286 2.814 20 0 GFADRO Cc1ccc(C[N@@H+]2CCC[C@](O)(C(=O)N3CCCC3)C2)cc1Br ZINC000449764461 564200935 /nfs/dbraw/zinc/20/09/35/564200935.db2.gz BGMSFHDZHXWHJS-GOSISDBHSA-N 1 0 381.314 2.707 20 0 GFADRO COc1cc(C)c(Br)cc1C(=O)NCCCC[NH+]1CCOCC1 ZINC000506353925 564201627 /nfs/dbraw/zinc/20/16/27/564201627.db2.gz UAUGAEZLPDZKSH-UHFFFAOYSA-N 1 0 385.302 2.608 20 0 GFADRO CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+]Cc2nc3c(cccc3Br)[nH]2)C1 ZINC000449773996 564202126 /nfs/dbraw/zinc/20/21/26/564202126.db2.gz NYOSCJHUQOQXHK-WDEREUQCSA-N 1 0 386.315 2.771 20 0 GFADRO CC(C)[N@@H+]1CC[C@H](N(C)Cc2cn(-c3ccccc3Br)nn2)C1 ZINC000449785253 564202332 /nfs/dbraw/zinc/20/23/32/564202332.db2.gz FGIXIQCZLSXKJY-HNNXBMFYSA-N 1 0 378.318 2.944 20 0 GFADRO C[C@@H](CNC(=O)c1cn2ccc(Br)cc2n1)[N@@H+]1CCC[C@@H](C)C1 ZINC000506497649 564202766 /nfs/dbraw/zinc/20/27/66/564202766.db2.gz XWXLPPOBJNFDCB-OLZOCXBDSA-N 1 0 379.302 2.947 20 0 GFADRO CCS(=O)(=O)c1ccc(CNC(=O)NCC[N@H+](C)C2CCCCC2)s1 ZINC000471771911 564203811 /nfs/dbraw/zinc/20/38/11/564203811.db2.gz QWLVDSISWJLXEL-UHFFFAOYSA-N 1 0 387.571 2.605 20 0 GFADRO O=S1(=O)CC[C@@H]([NH2+][C@@H](CO)CC2CCC2)c2cc(Br)ccc21 ZINC000563760636 564205919 /nfs/dbraw/zinc/20/59/19/564205919.db2.gz JZUOFIUGQFFGIV-UKRRQHHQSA-N 1 0 388.327 2.808 20 0 GFADRO O=C(NC[C@H]1CCN(c2cccc(Br)c2)C1)NCC1CC[NH2+]CC1 ZINC000563798321 564207964 /nfs/dbraw/zinc/20/79/64/564207964.db2.gz WJPUNDQFQMQQAG-OAHLLOKOSA-N 1 0 395.345 2.574 20 0 GFADRO CCSc1ccc([C@@H](C)[NH2+]CCS(=O)(=O)NC[C@H]2CCCCO2)cc1 ZINC000539077829 564208634 /nfs/dbraw/zinc/20/86/34/564208634.db2.gz CDCYCJLVQDOYLE-NVXWUHKLSA-N 1 0 386.583 2.938 20 0 GFADRO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]C1CCC(C(N)=O)CC1 ZINC000539084986 564208642 /nfs/dbraw/zinc/20/86/42/564208642.db2.gz ZEGBCXIIZDMEGK-LKSINWNRSA-N 1 0 382.302 2.800 20 0 GFADRO C[C@@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH2+][C@@H]1CC(=O)N(C)C1 ZINC000539069629 564208958 /nfs/dbraw/zinc/20/89/58/564208958.db2.gz PRMMLIWSUYUUCM-GXSJLCMTSA-N 1 0 377.794 2.896 20 0 GFADRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)c1c(F)cccc1I ZINC000472050710 564211216 /nfs/dbraw/zinc/21/12/16/564211216.db2.gz BERWCCNPFKVVNV-LLVKDONJSA-N 1 0 390.240 2.844 20 0 GFADRO CN(C)S(=O)(=O)CCC[NH2+][C@@H](Cc1ccc(Cl)cc1)c1ccccn1 ZINC000563910595 564212759 /nfs/dbraw/zinc/21/27/59/564212759.db2.gz NZFVELZIFTVUOT-SFHVURJKSA-N 1 0 381.929 2.890 20 0 GFADRO C/C=C\C[C@@H](CO)[NH2+]Cc1cc(I)c(OC)c(OC)c1 ZINC000472152391 564214865 /nfs/dbraw/zinc/21/48/65/564214865.db2.gz FXJZKIUCOYCRPY-RXNFCKPNSA-N 1 0 391.249 2.725 20 0 GFADRO CCC[N@H+](CC)CCNC(=O)[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000472213204 564216356 /nfs/dbraw/zinc/21/63/56/564216356.db2.gz YGZDBRXTEMDIEF-INIZCTEOSA-N 1 0 396.329 2.650 20 0 GFADRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1ccc(I)cc1F ZINC000450106162 564217619 /nfs/dbraw/zinc/21/76/19/564217619.db2.gz NFOWJGIKFJZOBK-YMTOWFKASA-N 1 0 388.224 2.643 20 0 GFADRO C[C@@H]1[NH2+]CC[C@@H]1C(=O)NCC1(c2ccc(Br)cc2)CCOCC1 ZINC000564080111 564219468 /nfs/dbraw/zinc/21/94/68/564219468.db2.gz YFQSLIASDOQTIX-BBRMVZONSA-N 1 0 381.314 2.612 20 0 GFADRO COC(=O)c1ccc(C[NH2+]CCCNC(=O)c2ccc(Br)cc2)o1 ZINC000539496931 564221084 /nfs/dbraw/zinc/22/10/84/564221084.db2.gz VKHVVCCPUFBJGZ-UHFFFAOYSA-N 1 0 395.253 2.738 20 0 GFADRO CCCS(=O)(=O)Nc1ccc(C(=O)NCCC[NH+](CC)CC)c(Cl)c1 ZINC000539598895 564223213 /nfs/dbraw/zinc/22/32/13/564223213.db2.gz YBJLDQLLMQYGQK-UHFFFAOYSA-N 1 0 389.949 2.953 20 0 GFADRO Brc1ccc2c(c1)ncnc2N1CCC(C[NH+]2CCOCC2)CC1 ZINC000450253495 564223724 /nfs/dbraw/zinc/22/37/24/564223724.db2.gz OKHFDBCCRNNHDZ-UHFFFAOYSA-N 1 0 391.313 2.941 20 0 GFADRO C[C@H]([NH2+]C[C@@H]1CCCCN1S(C)(=O)=O)c1ccc(Br)cc1 ZINC000507268907 564224601 /nfs/dbraw/zinc/22/46/01/564224601.db2.gz UVSUMGUVVKGGHM-WFASDCNBSA-N 1 0 375.332 2.914 20 0 GFADRO C[NH+](C)CCOC1CCN(c2ncnc3cc(Br)ccc32)CC1 ZINC000450333043 564227392 /nfs/dbraw/zinc/22/73/92/564227392.db2.gz WIARDSRSWHCYEX-UHFFFAOYSA-N 1 0 379.302 2.939 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)C(=O)N[C@H](c1nccn1C)C1CC1 ZINC000507426924 564228783 /nfs/dbraw/zinc/22/87/83/564228783.db2.gz YTOZWHIKPZZXCY-AWEZNQCLSA-N 1 0 391.269 2.697 20 0 GFADRO COCc1cc(Cl)cc(S(=O)(=O)N(CC[NH+](C)C)Cc2ccco2)c1 ZINC000564396689 564231916 /nfs/dbraw/zinc/23/19/16/564231916.db2.gz WQWGHXKOQIIGBY-UHFFFAOYSA-N 1 0 386.901 2.832 20 0 GFADRO CC[NH+](CC)CC[C@H](CO)NC(=O)c1cc(Br)ccc1Cl ZINC000539920162 564232285 /nfs/dbraw/zinc/23/22/85/564232285.db2.gz DJUYBKFOOSFQJN-GFCCVEGCSA-N 1 0 377.710 2.925 20 0 GFADRO CN(CCC[NH+](C)C)C(=O)NCc1cnn(-c2ccc(Br)cc2)c1 ZINC000564406290 564232300 /nfs/dbraw/zinc/23/23/00/564232300.db2.gz QHBXXVNOFCJCHZ-UHFFFAOYSA-N 1 0 394.317 2.728 20 0 GFADRO CC[N@H+](CCNc1ccc(I)cn1)CCC(F)(F)F ZINC000450484718 564235036 /nfs/dbraw/zinc/23/50/36/564235036.db2.gz HLHCVVVZADOZFZ-UHFFFAOYSA-N 1 0 387.187 3.372 20 0 GFADRO COCCOC[C@@H](O)C[N@@H+]1CCC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000450491893 564235749 /nfs/dbraw/zinc/23/57/49/564235749.db2.gz YIQPJBCJPOWRGI-DZGCQCFKSA-N 1 0 378.296 2.861 20 0 GFADRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C[C@H](O)COc1ccc(Cl)cc1Br ZINC000540045808 564238160 /nfs/dbraw/zinc/23/81/60/564238160.db2.gz XWTHMFSZHVOVKA-BZPMIXESSA-N 1 0 391.737 2.867 20 0 GFADRO C[C@H](O)C[N@@H+]1CCN(C(=O)CCCOc2ccccc2Br)[C@H](C)C1 ZINC000473362769 564245405 /nfs/dbraw/zinc/24/54/05/564245405.db2.gz AMEOQXBAMNBOEZ-CABCVRRESA-N 1 0 399.329 2.522 20 0 GFADRO COC(=O)c1cn(C2CC[NH+](Cc3cc(Br)ccc3C)CC2)nn1 ZINC000450748411 564245818 /nfs/dbraw/zinc/24/58/18/564245818.db2.gz WUBKCBVNYLAKJN-UHFFFAOYSA-N 1 0 393.285 2.973 20 0 GFADRO COC(=O)CNC(=O)CC[NH2+][C@@H](c1ccc(Br)cc1)C1CCC1 ZINC000540380577 564247090 /nfs/dbraw/zinc/24/70/90/564247090.db2.gz PEIRYPYQBCZCMX-QGZVFWFLSA-N 1 0 383.286 2.559 20 0 GFADRO C[C@H](CC[NH+](C)C)NC(=O)N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000473430350 564247206 /nfs/dbraw/zinc/24/72/06/564247206.db2.gz QHFRNGUBRMYINO-BXUZGUMPSA-N 1 0 387.311 2.738 20 0 GFADRO C[NH+]1CCC2(CCCN2S(=O)(=O)c2cccc(OC(F)(F)F)c2)CC1 ZINC000507888801 564247374 /nfs/dbraw/zinc/24/73/74/564247374.db2.gz NBJQFCSVIREUIN-UHFFFAOYSA-N 1 0 378.416 2.834 20 0 GFADRO CC(=O)N1CCC[N@H+](C[C@@H]2CCCN(c3ccncc3Br)C2)CC1 ZINC000450780655 564247497 /nfs/dbraw/zinc/24/74/97/564247497.db2.gz YMGHBRXYRONXPM-INIZCTEOSA-N 1 0 395.345 2.615 20 0 GFADRO O[C@H](C[NH2+][C@@H]1C[C@H]1c1ccc(Br)s1)COC1CCOCC1 ZINC000564792380 564248852 /nfs/dbraw/zinc/24/88/52/564248852.db2.gz FAAUDEGMRXCFHK-RAIGVLPGSA-N 1 0 376.316 2.513 20 0 GFADRO C[C@H]([NH2+]CCS(=O)(=O)c1ccc(Br)cc1)C1CCOCC1 ZINC000540460068 564248991 /nfs/dbraw/zinc/24/89/91/564248991.db2.gz BWZRCVYYFISKCZ-LBPRGKRZSA-N 1 0 376.316 2.628 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)C1(c2cccc(Br)c2)CC(=O)C1 ZINC000540513864 564250415 /nfs/dbraw/zinc/25/04/15/564250415.db2.gz KJBYMGPYVOEYJC-SJORKVTESA-N 1 0 391.309 2.793 20 0 GFADRO CCC[NH+]1CCC(CNS(=O)(=O)c2cc(Br)ccc2F)CC1 ZINC000508028374 564251049 /nfs/dbraw/zinc/25/10/49/564251049.db2.gz JMKOZEJUQFIGOB-UHFFFAOYSA-N 1 0 393.322 2.989 20 0 GFADRO O=C(CC[NH2+][C@H]1CCN(CC(F)F)C1)Nc1cccc(Br)c1 ZINC000564858593 564253475 /nfs/dbraw/zinc/25/34/75/564253475.db2.gz VDSNWDPSCYIAQC-ZDUSSCGKSA-N 1 0 376.245 2.707 20 0 GFADRO Cc1cc(C)c(C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)cc1Br ZINC000450964624 564257459 /nfs/dbraw/zinc/25/74/59/564257459.db2.gz GFLAISVCYJZYCA-AWEZNQCLSA-N 1 0 383.330 2.983 20 0 GFADRO CC[NH+]1CCC(NC(=O)CN2CCCc3c(F)cc(Br)cc32)CC1 ZINC000540828534 564257623 /nfs/dbraw/zinc/25/76/23/564257623.db2.gz AEBBDXPBANSASG-UHFFFAOYSA-N 1 0 398.320 2.941 20 0 GFADRO CN(CCC[NH+]1CCCC1)C(=O)NCCOc1cccc(Br)c1 ZINC000540811696 564257689 /nfs/dbraw/zinc/25/76/89/564257689.db2.gz RPYWAAGNWQXEOA-UHFFFAOYSA-N 1 0 384.318 2.955 20 0 GFADRO O=C1N[C@]2(CCC[NH2+]C2)C(=O)N1CC/C=C\c1ccc(Br)cc1 ZINC000564925720 564258141 /nfs/dbraw/zinc/25/81/41/564258141.db2.gz GFSNKIZIDRVOFN-DVZSUYKVSA-N 1 0 378.270 2.526 20 0 GFADRO CC(C)[NH+]1CCC(O)(CNC(=O)NCc2ccc(Br)s2)CC1 ZINC000473941085 564258890 /nfs/dbraw/zinc/25/88/90/564258890.db2.gz QFQOESWRMSHVSD-UHFFFAOYSA-N 1 0 390.347 2.545 20 0 GFADRO CC[C@H]([NH3+])CNC(=O)c1ccc(OCc2cc(C)on2)c(Br)c1 ZINC000564957251 564259176 /nfs/dbraw/zinc/25/91/76/564259176.db2.gz IFXUYIDICSKACW-LBPRGKRZSA-N 1 0 382.258 2.792 20 0 GFADRO CN(CC[NH+](C)C)C(=O)N[C@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O ZINC000473951386 564259949 /nfs/dbraw/zinc/25/99/49/564259949.db2.gz NPTWUHJETPRAMO-AWEZNQCLSA-N 1 0 387.311 2.692 20 0 GFADRO O=S(=O)(c1ccc(Br)c(F)c1)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000564966390 564260060 /nfs/dbraw/zinc/26/00/60/564260060.db2.gz HZFUIZOYLQHBFS-VXGBXAGGSA-N 1 0 391.306 2.598 20 0 GFADRO CN(C)S(=O)(=O)[C@@H]1C[N@H+](CC/C=C/c2ccccc2)C[C@H]1C(F)(F)F ZINC000450990228 564260208 /nfs/dbraw/zinc/26/02/08/564260208.db2.gz GRRCOERCIXJHMV-SNWBSQOPSA-N 1 0 376.444 2.844 20 0 GFADRO Brc1cc2c(c(C[NH2+][C@@H]3CCC[C@H]3[C@H]3COCCN3)c1)OCC2 ZINC000564988717 564260793 /nfs/dbraw/zinc/26/07/93/564260793.db2.gz OQAGSEPXIYSITN-BRWVUGGUSA-N 1 0 381.314 2.631 20 0 GFADRO C[C@@H](CNC(=O)N(C)CC[N@H+](C)C1CC1)Oc1cccc(Br)c1 ZINC000474025878 564261470 /nfs/dbraw/zinc/26/14/70/564261470.db2.gz YBTJNBCFUCDOQL-ZDUSSCGKSA-N 1 0 384.318 2.952 20 0 GFADRO CCOC(=O)COc1c(Br)cc(C)cc1C[N@H+](C)[C@H]1CCOC1 ZINC000540997857 564262384 /nfs/dbraw/zinc/26/23/84/564262384.db2.gz PRPFQQINFRARID-AWEZNQCLSA-N 1 0 386.286 2.920 20 0 GFADRO COc1cc(S(=O)(=O)NCC[NH+]2CCCCCC2)ccc1Br ZINC000474066806 564263399 /nfs/dbraw/zinc/26/33/99/564263399.db2.gz QTBABDSPTFCALF-UHFFFAOYSA-N 1 0 391.331 2.612 20 0 GFADRO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)CC(=O)N(C)c3nccs3)C2)s1 ZINC000565049969 564264034 /nfs/dbraw/zinc/26/40/34/564264034.db2.gz VCJDBBXDYGGZAI-HNNXBMFYSA-N 1 0 378.567 2.930 20 0 GFADRO CC(=O)N[C@H](CC(=O)NCC1([NH+](C)C)CCC1)c1ccc(Br)cc1 ZINC000474097492 564265395 /nfs/dbraw/zinc/26/53/95/564265395.db2.gz LUFPNXJEBHWEHY-MRXNPFEDSA-N 1 0 396.329 2.617 20 0 GFADRO O=S(=O)(Cc1ccc(Br)c(F)c1)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000451054471 564267765 /nfs/dbraw/zinc/26/77/65/564267765.db2.gz LCYRUTNMXYFJRN-GJZGRUSLSA-N 1 0 391.306 2.634 20 0 GFADRO C[C@H]1CN(c2cccc(Cl)c2)CC[N@@H+]1C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000565170355 564268679 /nfs/dbraw/zinc/26/86/79/564268679.db2.gz ITLOHNMGCLJQAH-JKSUJKDBSA-N 1 0 385.961 2.522 20 0 GFADRO COC(=O)[C@H](c1ccccc1C(F)(F)F)N1C[C@H](SC)[C@@H]([NH+](C)C)C1 ZINC000541203123 564268773 /nfs/dbraw/zinc/26/87/73/564268773.db2.gz RCOWHJFFHKTYGQ-KKUMJFAQSA-N 1 0 376.444 2.897 20 0 GFADRO C[C@H](NS(=O)(=O)c1cccc(Br)c1F)C(C)(C)C[NH+](C)C ZINC000541211643 564269470 /nfs/dbraw/zinc/26/94/70/564269470.db2.gz CEPDGTPPRCUDRV-JTQLQIEISA-N 1 0 381.311 2.843 20 0 GFADRO OCCC1(C[NH2+]Cc2ccc(Br)cc2N2CCOCC2)CCC1 ZINC000474365311 564275996 /nfs/dbraw/zinc/27/59/96/564275996.db2.gz IMONGXNGGJANMN-UHFFFAOYSA-N 1 0 383.330 2.928 20 0 GFADRO CCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cccc(Br)c1C ZINC000508951008 564277148 /nfs/dbraw/zinc/27/71/48/564277148.db2.gz RWTHBMRKLCJXHF-ZDUSSCGKSA-N 1 0 382.302 2.687 20 0 GFADRO [NH3+]C[C@@H]1CCCC[C@@H]1N[C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000565357394 564277532 /nfs/dbraw/zinc/27/75/32/564277532.db2.gz OHYTXSGUUWEUGT-TUKIKUTGSA-N 1 0 387.343 2.775 20 0 GFADRO C[C@H]([NH2+]C[C@@H](CO)Cc1ccc(Br)cc1)C(C)(C)n1cncn1 ZINC000565378279 564278332 /nfs/dbraw/zinc/27/83/32/564278332.db2.gz RARAJGBGVSWBNV-ZFWWWQNUSA-N 1 0 381.318 2.605 20 0 GFADRO CN(C)S(=O)(=O)CC[NH+]1CCC(C)(c2cccc(Br)c2)CC1 ZINC000509021465 564278504 /nfs/dbraw/zinc/27/85/04/564278504.db2.gz HQZUEQLUBTWWFD-UHFFFAOYSA-N 1 0 389.359 2.694 20 0 GFADRO CCC[N@H+](C)[C@@H](CNC(=O)NC[C@@H](O)C(F)(F)F)c1ccc(Cl)cc1 ZINC000509011642 564278965 /nfs/dbraw/zinc/27/89/65/564278965.db2.gz BLYPXKAPGNRTKZ-UONOGXRCSA-N 1 0 381.826 2.945 20 0 GFADRO CCOC(=O)C[C@H](NC(=O)[C@H]1CC[N@H+](C)C1)c1cccc(Br)c1 ZINC000541441621 564279066 /nfs/dbraw/zinc/27/90/66/564279066.db2.gz IVMLITCRCSHSER-ZFWWWQNUSA-N 1 0 383.286 2.511 20 0 GFADRO C[C@@H](CNC(=O)NCC[N@H+]1CC=CCC1)Oc1ccc(Br)cc1 ZINC000474436143 564279108 /nfs/dbraw/zinc/27/91/08/564279108.db2.gz DNEZWMVHDARBCR-AWEZNQCLSA-N 1 0 382.302 2.778 20 0 GFADRO C[C@@H](CCc1ccc(I)cc1)[NH2+]CCNC(=O)C1CC1 ZINC000474468349 564279937 /nfs/dbraw/zinc/27/99/37/564279937.db2.gz MVAABMPQZKXBRD-LBPRGKRZSA-N 1 0 386.277 2.728 20 0 GFADRO CN(C(=O)Nc1ccc(Cl)cc1I)[C@@H]1CC[NH2+]C1 ZINC000565468234 564281301 /nfs/dbraw/zinc/28/13/01/564281301.db2.gz GDIYUGYDUOTHMQ-SECBINFHSA-N 1 0 379.629 2.770 20 0 GFADRO COc1cc(Br)c(C(=O)N2CC[N@H+](C)[C@H](C(C)C)C2)cc1OC ZINC000451165074 564281900 /nfs/dbraw/zinc/28/19/00/564281900.db2.gz SYFXVYRLVYVQIG-AWEZNQCLSA-N 1 0 385.302 2.879 20 0 GFADRO COC[C@@H](C)CS(=O)(=O)N(CC[NH+]1CCCC1)Cc1ccc(Cl)cc1 ZINC000474584109 564282682 /nfs/dbraw/zinc/28/26/82/564282682.db2.gz GDGWCVGWFGVXDX-MRXNPFEDSA-N 1 0 388.961 2.850 20 0 GFADRO C[NH+](C)CCc1ccccc1NC(=O)CCn1cc(Br)ccc1=O ZINC000474640199 564284401 /nfs/dbraw/zinc/28/44/01/564284401.db2.gz NWUXHGPQJXSVNU-UHFFFAOYSA-N 1 0 392.297 2.744 20 0 GFADRO C[C@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)Cc1ccc(Br)c(F)c1 ZINC000451186592 564284556 /nfs/dbraw/zinc/28/45/56/564284556.db2.gz DWHGFIKUIXAQIX-AAEUAGOBSA-N 1 0 391.306 2.587 20 0 GFADRO O[C@H](C[NH2+]Cc1cn2ccsc2n1)COc1ccc(Br)cc1 ZINC000565534489 564285678 /nfs/dbraw/zinc/28/56/78/564285678.db2.gz DVXUWIHQLQMADY-CYBMUJFWSA-N 1 0 382.283 2.688 20 0 GFADRO Cc1ccc(Br)cc1CC(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000451200787 564286564 /nfs/dbraw/zinc/28/65/64/564286564.db2.gz TXNPOEDTJAPKGW-HNNXBMFYSA-N 1 0 383.330 2.917 20 0 GFADRO O=C(NCCC[NH2+]Cc1ccc(Cl)cc1-n1cncn1)c1cccs1 ZINC000474704537 564286571 /nfs/dbraw/zinc/28/65/71/564286571.db2.gz BTOJFYKZGXQYCM-UHFFFAOYSA-N 1 0 375.885 2.892 20 0 GFADRO C[C@H](CCc1ccc(I)cc1)[NH2+]CC1(O)CCOCC1 ZINC000474723393 564286664 /nfs/dbraw/zinc/28/66/64/564286664.db2.gz PMOANYUMMIVETF-CYBMUJFWSA-N 1 0 389.277 2.743 20 0 GFADRO CCOCCC[N@@H+]1CC[C@H](NS(=O)(=O)c2sccc2Cl)[C@@H](C)C1 ZINC000451211050 564287063 /nfs/dbraw/zinc/28/70/63/564287063.db2.gz SPPZNZJSQFBPBU-JSGCOSHPSA-N 1 0 380.963 2.817 20 0 GFADRO CO[C@@](C)([C@H](C)[NH2+]Cc1cc(=O)n2cc(Br)ccc2n1)C1CC1 ZINC000565585141 564287451 /nfs/dbraw/zinc/28/74/51/564287451.db2.gz MKAGMMCUKSNMHG-GTNSWQLSSA-N 1 0 380.286 2.750 20 0 GFADRO CC[N@@H+]1CCCC[C@H]1CNC(=O)NCc1nc2c(cccc2Br)[nH]1 ZINC000565643633 564289512 /nfs/dbraw/zinc/28/95/12/564289512.db2.gz VCRUSEIJUHOQBA-LBPRGKRZSA-N 1 0 394.317 2.999 20 0 GFADRO O=S(=O)(CC[NH2+][C@H]1CCOC2(CCC2)C1)c1cccc(Br)c1 ZINC000565653316 564290483 /nfs/dbraw/zinc/29/04/83/564290483.db2.gz DSACSUDGIAJICQ-AWEZNQCLSA-N 1 0 388.327 2.914 20 0 GFADRO COc1c(C)cc(C)cc1S(=O)(=O)N1C[C@@H]([NH+]2CCCC2)[C@@H](SC)C1 ZINC000509287949 564292314 /nfs/dbraw/zinc/29/23/14/564292314.db2.gz PBBIJFFLGXTMJL-CVEARBPZSA-N 1 0 384.567 2.512 20 0 GFADRO CN(CCC(=O)N[C@H](CO)c1cccc(Br)c1)c1cc[nH+]cc1 ZINC000541854861 564292706 /nfs/dbraw/zinc/29/27/06/564292706.db2.gz RVUWIJCSSCWEGZ-MRXNPFEDSA-N 1 0 378.270 2.520 20 0 GFADRO Cc1ccccc1[C@H]([C@@H](C)NC(=O)c1c(Br)cnn1C)[NH+](C)C ZINC000451262242 564293359 /nfs/dbraw/zinc/29/33/59/564293359.db2.gz GSWAHSUKYJBZDN-DOMZBBRYSA-N 1 0 379.302 2.912 20 0 GFADRO C[C@H]([NH2+][C@H](CCO)c1ccccc1Br)C1CCS(=O)(=O)CC1 ZINC000474947449 564295114 /nfs/dbraw/zinc/29/51/14/564295114.db2.gz PNQLFBGBPDRHBM-BLLLJJGKSA-N 1 0 390.343 2.676 20 0 GFADRO [NH3+]CCC(=O)NC[C@@H]1CCCCN1Cc1cc(Br)cc(F)c1F ZINC000565779446 564296017 /nfs/dbraw/zinc/29/60/17/564296017.db2.gz JCQNZWUUSUJTFC-ZDUSSCGKSA-N 1 0 390.272 2.547 20 0 GFADRO OCC[C@@H]([NH2+]C[C@H](O)COCc1ccco1)c1ccccc1Br ZINC000541951724 564296750 /nfs/dbraw/zinc/29/67/50/564296750.db2.gz JCRZIYHHTKRYAT-SUMWQHHRSA-N 1 0 384.270 2.633 20 0 GFADRO O=S(=O)(NCC[NH2+]Cc1scnc1C1CC1)c1ccc(F)cc1Cl ZINC000509402094 564296790 /nfs/dbraw/zinc/29/67/90/564296790.db2.gz JYPLTJRQPNXYBC-UHFFFAOYSA-N 1 0 389.905 2.881 20 0 GFADRO CCS(=O)(=O)C[C@H](C)[NH2+]C[C@H](O)COc1cc(C)c(Cl)cc1C(C)C ZINC000565888468 564300464 /nfs/dbraw/zinc/30/04/64/564300464.db2.gz MLXIMNYJOXVMDD-GJZGRUSLSA-N 1 0 391.961 2.924 20 0 GFADRO Cc1c2cc(Cl)ccc2sc1CNC(=O)C(=O)NCCC[NH2+]C(C)C ZINC000565882802 564300694 /nfs/dbraw/zinc/30/06/94/564300694.db2.gz UYWIROQQJJJPHO-UHFFFAOYSA-N 1 0 381.929 2.984 20 0 GFADRO CN(C)S(=O)(=O)c1ccc(C[N@H+](C)[C@H](CO)c2ccc(Cl)cc2)cc1 ZINC000451326160 564300998 /nfs/dbraw/zinc/30/09/98/564300998.db2.gz CMXKMPRYZPIUFB-GOSISDBHSA-N 1 0 382.913 2.756 20 0 GFADRO NC(=O)[C@@H](C[NH2+]C1CCN(CC(F)(F)F)CC1)Cc1ccccc1Cl ZINC000509480265 564301437 /nfs/dbraw/zinc/30/14/37/564301437.db2.gz PZKINKIFKHPLOJ-CYBMUJFWSA-N 1 0 377.838 2.600 20 0 GFADRO CC(C)[C@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl ZINC000475159213 564302346 /nfs/dbraw/zinc/30/23/46/564302346.db2.gz WVYYOECHXBIXDT-HIFRSBDPSA-N 1 0 387.933 2.730 20 0 GFADRO COC(=O)[C@@H]1CC[N@H+](C[C@H](O)COc2cc(Cl)ccc2Cl)C[C@@H]1C ZINC000475386668 564306400 /nfs/dbraw/zinc/30/64/00/564306400.db2.gz FGKRYYQNTJWYHT-FPMFFAJLSA-N 1 0 376.280 2.864 20 0 GFADRO O=C(c1ccc(Br)cc1F)N1CC[C@@H](OCC[NH+]2CCCC2)C1 ZINC000475446884 564308658 /nfs/dbraw/zinc/30/86/58/564308658.db2.gz NODABCRGLIWOLB-CQSZACIVSA-N 1 0 385.277 2.915 20 0 GFADRO C[C@@]1([NH2+]CCS(=O)(=O)c2ccc(Br)cc2)CCO[C@H]1C1CC1 ZINC000542307855 564309316 /nfs/dbraw/zinc/30/93/16/564309316.db2.gz XZKCSWGKNNBIHW-JKSUJKDBSA-N 1 0 388.327 2.770 20 0 GFADRO CO[C@@H](C[NH3+])C(=O)Nc1ncc(Cc2ccc(Br)c(C)c2)s1 ZINC000566096850 564309411 /nfs/dbraw/zinc/30/94/11/564309411.db2.gz IUHNLJBDFCHWRS-ZDUSSCGKSA-N 1 0 384.299 2.717 20 0 GFADRO CC(C)(C)N1C[C@@H]([NH2+]C[C@@H](O)COc2ccc(Cl)cc2Cl)CC1=O ZINC000566111099 564310350 /nfs/dbraw/zinc/31/03/50/564310350.db2.gz XYVAQPLAEIKICX-QWHCGFSZSA-N 1 0 375.296 2.722 20 0 GFADRO CC[C@H](C)N(C)CC[NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000566110638 564310409 /nfs/dbraw/zinc/31/04/09/564310409.db2.gz NTWOIFSXAVEXOT-SWLSCSKDSA-N 1 0 377.298 2.648 20 0 GFADRO CS[C@@H]1CN(S(=O)(=O)C[C@H]2CCCCC2(F)F)C[C@@H]1[NH+]1CCCC1 ZINC000451408186 564310452 /nfs/dbraw/zinc/31/04/52/564310452.db2.gz NBVPDAXOBQWZME-QLFBSQMISA-N 1 0 382.542 2.653 20 0 GFADRO C[C@@H]([NH2+][C@@H](C)Cn1cc(Br)cn1)C(=O)N1Cc2ccccc2C1 ZINC000475494187 564310732 /nfs/dbraw/zinc/31/07/32/564310732.db2.gz AEDAKOJGQBLUBS-QWHCGFSZSA-N 1 0 377.286 2.555 20 0 GFADRO O[C@@H](C[NH2+]Cc1cnc(C2CC2)o1)COc1cc(F)cc(Br)c1 ZINC000566121270 564310782 /nfs/dbraw/zinc/31/07/82/564310782.db2.gz CIQWWOABOXGVBD-ZDUSSCGKSA-N 1 0 385.233 2.983 20 0 GFADRO COCCOC[C@@H](O)C[NH2+]Cc1ccc(Br)cc1C(F)(F)F ZINC000566111842 564310884 /nfs/dbraw/zinc/31/08/84/564310884.db2.gz MVYAPQQAIYKMPB-LBPRGKRZSA-N 1 0 386.208 2.581 20 0 GFADRO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@H](CC(=O)OC)c1ccc(Br)cc1 ZINC000566165118 564313793 /nfs/dbraw/zinc/31/37/93/564313793.db2.gz FYSPUFXQZQBDCE-SOUVJXGZSA-N 1 0 383.286 2.558 20 0 GFADRO CC[N@@H+]1CCC[C@H](CNC(=O)CCCS(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000509839628 564314692 /nfs/dbraw/zinc/31/46/92/564314692.db2.gz NMCJGOPDMAKPTL-OAHLLOKOSA-N 1 0 386.945 2.742 20 0 GFADRO C[C@@H](CCC(F)(F)F)[NH2+]Cc1ccc(S(=O)(=O)N2CCOCC2)s1 ZINC000542481744 564315285 /nfs/dbraw/zinc/31/52/85/564315285.db2.gz BXKIMRYBPHKCEY-NSHDSACASA-N 1 0 386.461 2.590 20 0 GFADRO CCO[C@@H]1C[C@]([NH3+])(C(=O)Nc2cnc3c(Br)cccn23)C1(C)C ZINC000566197347 564316011 /nfs/dbraw/zinc/31/60/11/564316011.db2.gz XEHUWFBTSNKCMO-BZNIZROVSA-N 1 0 381.274 2.568 20 0 GFADRO COCCCS(=O)(=O)NCC[N@H+](C)[C@@H](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000475733692 564317657 /nfs/dbraw/zinc/31/76/57/564317657.db2.gz LINMYINLSROUHB-CABCVRRESA-N 1 0 376.950 2.720 20 0 GFADRO C[C@@H]1OCC[C@H]1C(=O)Nc1ccc(CN2CC[NH+](C)CC2)c(Br)c1 ZINC000475747906 564318094 /nfs/dbraw/zinc/31/80/94/564318094.db2.gz FYJNMWGHVNDOLD-XJKSGUPXSA-N 1 0 396.329 2.560 20 0 GFADRO CC1(C)[C@H]([NH2+]C[C@H](O)COc2ccc(Br)cc2)[C@@H]2CCCO[C@H]21 ZINC000451481572 564318330 /nfs/dbraw/zinc/31/83/30/564318330.db2.gz RSZQWVIKNUAYKI-QMCVQRASSA-N 1 0 384.314 2.982 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)c(C)c1C(=O)N[C@H]1CCC[NH2+]C1 ZINC000566249052 564318826 /nfs/dbraw/zinc/31/88/26/564318826.db2.gz RSZWXJWQKLZPES-AWEZNQCLSA-N 1 0 377.286 2.733 20 0 GFADRO CC[C@H]1C[N@H+](C)CCCN1S(=O)(=O)Cc1ccc(Br)c(F)c1 ZINC000451506201 564321044 /nfs/dbraw/zinc/32/10/44/564321044.db2.gz UMEZAKRIJXZJEN-ZDUSSCGKSA-N 1 0 393.322 2.834 20 0 GFADRO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N1CCC(CC[NH3+])CC1 ZINC000566356374 564324496 /nfs/dbraw/zinc/32/44/96/564324496.db2.gz WTNTYNWBMQSWOI-ZDUSSCGKSA-N 1 0 390.933 2.503 20 0 GFADRO C[N@H+](C[C@H](O)COc1ccc(Cl)cc1Br)[C@@H]1CCCOC1 ZINC000510102606 564325380 /nfs/dbraw/zinc/32/53/80/564325380.db2.gz TTWUNHCKXSYROH-OLZOCXBDSA-N 1 0 378.694 2.953 20 0 GFADRO CSc1cccc(S(=O)(=O)NCc2ccccc2OCC[NH+](C)C)c1 ZINC000510074497 564325401 /nfs/dbraw/zinc/32/54/01/564325401.db2.gz YXIJMKUUEWXAAU-UHFFFAOYSA-N 1 0 380.535 2.827 20 0 GFADRO C[C@@H](Sc1nnnn1CC[NH+](C)C)C(=O)Nc1cccc(Cl)c1Cl ZINC000510101064 564325760 /nfs/dbraw/zinc/32/57/60/564325760.db2.gz OAVLABQWSSQEPE-SECBINFHSA-N 1 0 389.312 2.661 20 0 GFADRO CO[C@@H]1CC[N@H+](C[C@@H](O)COc2cc(F)cc(Br)c2)C[C@H]1C ZINC000451568714 564326835 /nfs/dbraw/zinc/32/68/35/564326835.db2.gz OBCJGRWCJHEVHR-DJSGYFEHSA-N 1 0 376.266 2.685 20 0 GFADRO CC[C@@H](C)[NH2+][C@@H](CNS(=O)(=O)c1ccsc1C(=O)OC)c1ccco1 ZINC000510371535 564330846 /nfs/dbraw/zinc/33/08/46/564330846.db2.gz BJWRBINFNFEENH-NEPJUHHUSA-N 1 0 386.495 2.535 20 0 GFADRO O=C(NCCC[C@@H]1CCC[NH2+]1)c1ccc(S(=O)(=O)c2ccccc2)s1 ZINC000566556133 564331387 /nfs/dbraw/zinc/33/13/87/564331387.db2.gz CEXVQKSRLDYQDE-AWEZNQCLSA-N 1 0 378.519 2.843 20 0 GFADRO C[C@@H]1C[C@H](C[NH2+]C[C@@H](O)COc2cc(F)cc(Br)c2)[C@@H](C)O1 ZINC000566615999 564334241 /nfs/dbraw/zinc/33/42/41/564334241.db2.gz WAXNMRYYZRICKX-RTWAVKEYSA-N 1 0 376.266 2.731 20 0 GFADRO OC[C@]1([C@H]([NH2+]Cc2cc3c(c(Br)c2)OCO3)C2CC2)CCCO1 ZINC000566609563 564334577 /nfs/dbraw/zinc/33/45/77/564334577.db2.gz YLSBWXOJXDGTMR-SJORKVTESA-N 1 0 384.270 2.588 20 0 GFADRO C[C@@H]([NH2+]C[C@@]1(N2CCOCC2)CCSC1)c1cncc(Br)c1 ZINC000566630997 564335362 /nfs/dbraw/zinc/33/53/62/564335362.db2.gz IBBZOEKMSHLMLQ-CJNGLKHVSA-N 1 0 386.359 2.703 20 0 GFADRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1S(=O)(=O)c1ccc(F)c(Br)c1 ZINC000510487154 564335578 /nfs/dbraw/zinc/33/55/78/564335578.db2.gz FIHRWMUTGVBKKK-NWDGAFQWSA-N 1 0 391.306 2.836 20 0 GFADRO C[C@@H]([NH2+]C[C@]1(N2CCOCC2)CCSC1)c1cncc(Br)c1 ZINC000566630999 564335647 /nfs/dbraw/zinc/33/56/47/564335647.db2.gz IBBZOEKMSHLMLQ-CZUORRHYSA-N 1 0 386.359 2.703 20 0 GFADRO C[C@@H]1CN(Cc2cc(Br)cc3cccnc32)C[C@H](C)[N@H+]1CCO ZINC000451656470 564335864 /nfs/dbraw/zinc/33/58/64/564335864.db2.gz VXNYKVFMEFLMBV-OKILXGFUSA-N 1 0 378.314 2.884 20 0 GFADRO C[C@@H]1CN(Cc2coc(-c3ccc(Br)cc3)n2)C[C@H](C)[N@H+]1CCO ZINC000451655477 564336093 /nfs/dbraw/zinc/33/60/93/564336093.db2.gz SGEZTGFBOWKNSE-OKILXGFUSA-N 1 0 394.313 2.991 20 0 GFADRO Cn1nccc1N1CCC[C@@H]([NH2+]Cc2cc3c(cc2Br)OCO3)C1 ZINC000566732162 564340013 /nfs/dbraw/zinc/34/00/13/564340013.db2.gz WSPXNISLOHHDKB-CYBMUJFWSA-N 1 0 393.285 2.670 20 0 GFADRO C[C@H](CCNS(=O)(=O)c1ccc(Br)cc1)[NH+]1CCCCC1 ZINC000543245438 564343685 /nfs/dbraw/zinc/34/36/85/564343685.db2.gz POPVZVGPEXNNPE-CYBMUJFWSA-N 1 0 375.332 2.992 20 0 GFADRO CN(CCC[N@H+](C)Cc1ccco1)S(=O)(=O)c1c(F)cc(F)cc1F ZINC000510733751 564345038 /nfs/dbraw/zinc/34/50/38/564345038.db2.gz JWSVKLQCHAFQNG-UHFFFAOYSA-N 1 0 376.400 2.840 20 0 GFADRO CCn1c2cc(Br)ccc2nc1NC(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000566853596 564346399 /nfs/dbraw/zinc/34/63/99/564346399.db2.gz FCSYGYLUJUTSGZ-LBPRGKRZSA-N 1 0 381.274 2.526 20 0 GFADRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1Cc1nc2cc(Br)ccc2o1 ZINC000510813104 564347622 /nfs/dbraw/zinc/34/76/22/564347622.db2.gz QHKJFIZXCWPKAL-LBPRGKRZSA-N 1 0 382.302 2.867 20 0 GFADRO COc1ccc(Br)c(S(=O)(=O)N(C)CCC[NH+]2CCCC2)c1 ZINC000566883787 564347880 /nfs/dbraw/zinc/34/78/80/564347880.db2.gz OFNHECBOMFXBNZ-UHFFFAOYSA-N 1 0 391.331 2.564 20 0 GFADRO Cc1ccc(S(C)(=O)=O)cc1C(=O)Nc1nc(C2CC[NH2+]CC2)cs1 ZINC000566909086 564348268 /nfs/dbraw/zinc/34/82/68/564348268.db2.gz QXLOMUOMLKYEAY-UHFFFAOYSA-N 1 0 379.507 2.574 20 0 GFADRO C[C@@H]([NH2+]CCNS(=O)(=O)c1ccc(F)cc1Cl)C1CCSCC1 ZINC000510984944 564352578 /nfs/dbraw/zinc/35/25/78/564352578.db2.gz YTUGVGVNPGVVMO-LLVKDONJSA-N 1 0 380.938 2.879 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)C(=O)N1CCC[C@@H]1c1ccsc1)c1cccs1 ZINC000567065710 564355192 /nfs/dbraw/zinc/35/51/92/564355192.db2.gz IVXAGTDBTUXFRS-CABCVRRESA-N 1 0 377.535 2.892 20 0 GFADRO CN(C)S(=O)(=O)[C@@H]1CCCN(Cc2cc(Cl)ccc2OCC2CC2)C1 ZINC000511125432 564358778 /nfs/dbraw/zinc/35/87/78/564358778.db2.gz MRORKOUDZYASHS-QGZVFWFLSA-N 1 0 386.945 2.985 20 0 GFADRO C[C@@H]1CN(CC(F)(F)F)CC[N@H+](C[C@@H](O)COc2ccc(Cl)cc2)C1 ZINC000451870822 564361069 /nfs/dbraw/zinc/36/10/69/564361069.db2.gz ISUSBJXPNJEPGR-DZGCQCFKSA-N 1 0 380.838 2.896 20 0 GFADRO COC(=O)c1ccc(OCC[N@@H+]2CC[C@H]([C@H](O)C(F)(F)F)C2)c(Cl)c1 ZINC000451906286 564364210 /nfs/dbraw/zinc/36/42/10/564364210.db2.gz LFZQWMVNLVDFKA-FZMZJTMJSA-N 1 0 381.778 2.751 20 0 GFADRO CS[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2F)C[C@@H]1[NH+]1CCCC1 ZINC000477126512 564365344 /nfs/dbraw/zinc/36/53/44/564365344.db2.gz KQCLENDWASFYFS-UONOGXRCSA-N 1 0 378.922 2.679 20 0 GFADRO CS[C@H]1CN(S(=O)(=O)c2cc(F)ccc2Cl)C[C@@H]1[NH+]1CCCC1 ZINC000477134429 564366401 /nfs/dbraw/zinc/36/64/01/564366401.db2.gz GRCRUXBMLIEHAZ-KBPBESRZSA-N 1 0 378.922 2.679 20 0 GFADRO C[C@@H]([NH2+]CCn1cc(Br)ccc1=O)c1ccc2c(c1)CCC(=O)N2 ZINC000567341511 564367363 /nfs/dbraw/zinc/36/73/63/564367363.db2.gz YNGRWDBZUZTZPC-GFCCVEGCSA-N 1 0 390.281 2.846 20 0 GFADRO CN([C@@H]1CC[NH2+]C1)S(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000567351395 564367918 /nfs/dbraw/zinc/36/79/18/564367918.db2.gz LWVWXNWOOOSEPR-SNVBAGLBSA-N 1 0 376.322 2.707 20 0 GFADRO Cc1c(Br)cccc1C[C@H](CO)CNC(=O)CCCC[NH+](C)C ZINC000567344700 564367984 /nfs/dbraw/zinc/36/79/84/564367984.db2.gz BPSXXTMGMYZPGR-HNNXBMFYSA-N 1 0 385.346 2.757 20 0 GFADRO C[C@H]([NH2+]C1CC1)C(=O)NC1CCN(Cc2ccc(Br)cc2)CC1 ZINC000567383262 564368637 /nfs/dbraw/zinc/36/86/37/564368637.db2.gz UTKBCQMZQCHHQM-ZDUSSCGKSA-N 1 0 380.330 2.670 20 0 GFADRO COc1cc(NC(=O)c2cnn([C@H]3CCC[NH2+]C3)c2)ccc1Br ZINC000567375248 564368863 /nfs/dbraw/zinc/36/88/63/564368863.db2.gz HDTMACWSGVDLLO-ZDUSSCGKSA-N 1 0 379.258 2.831 20 0 GFADRO [NH3+][C@H]1CCC[C@@H](CNC(=O)c2cc(=O)c3cc(Br)ccc3[nH]2)C1 ZINC000567387689 564369936 /nfs/dbraw/zinc/36/99/36/564369936.db2.gz CVDUDNZDBFPOPT-PWSUYJOCSA-N 1 0 378.270 2.538 20 0 GFADRO CC[NH+](CC)C[C@H](C)NC(=O)c1ccc(F)c(I)c1 ZINC000477219937 564369993 /nfs/dbraw/zinc/36/99/93/564369993.db2.gz VQOUVPVLOPBKKO-JTQLQIEISA-N 1 0 378.229 2.890 20 0 GFADRO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)c1ccc(F)c(I)c1 ZINC000477258570 564370539 /nfs/dbraw/zinc/37/05/39/564370539.db2.gz XAQTWXBONMBJDJ-AWEZNQCLSA-N 1 0 390.240 2.843 20 0 GFADRO C[NH+](C)[C@@H]1CCCN(C(=O)NCc2cc(F)c(F)cc2Br)C1 ZINC000511386695 564371116 /nfs/dbraw/zinc/37/11/16/564371116.db2.gz FRVSKFMLLRUBSK-LLVKDONJSA-N 1 0 376.245 2.963 20 0 GFADRO CC[C@@H](Cc1ccccc1Br)[NH2+]C1CCN(CC(=O)OC)CC1 ZINC000544025942 564371335 /nfs/dbraw/zinc/37/13/35/564371335.db2.gz CRSRAIXMIPZJBY-HNNXBMFYSA-N 1 0 383.330 2.997 20 0 GFADRO C[NH+](C)CCn1ccc(C(=O)N2CCc3cc(Br)cc(F)c3C2)n1 ZINC000567518141 564375384 /nfs/dbraw/zinc/37/53/84/564375384.db2.gz HRTMUVYWDAKKHA-UHFFFAOYSA-N 1 0 395.276 2.545 20 0 GFADRO C[C@H](Oc1ccccc1Br)C(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000567612657 564379446 /nfs/dbraw/zinc/37/94/46/564379446.db2.gz ZXBBSQPNFNGILB-MJEQTWJJSA-N 1 0 397.313 2.571 20 0 GFADRO C[C@@H](NC(=O)N1CCc2ccccc2[C@@H]1C[NH3+])c1ncc(Br)cn1 ZINC000567610763 564379840 /nfs/dbraw/zinc/37/98/40/564379840.db2.gz ZRHCKRNRDZDHOW-ABAIWWIYSA-N 1 0 390.285 2.568 20 0 GFADRO O[C@H](C[NH2+]CCCNc1ccccn1)COc1cc(F)cc(Br)c1 ZINC000567690478 564383339 /nfs/dbraw/zinc/38/33/39/564383339.db2.gz BZZAIOKJYCICMA-OAHLLOKOSA-N 1 0 398.276 2.815 20 0 GFADRO CCO[C@@H]1CCC[C@H]1[NH2+]CCS(=O)(=O)c1ccc(Br)cc1 ZINC000452028793 564384608 /nfs/dbraw/zinc/38/46/08/564384608.db2.gz XEECTCFLLOPVJJ-HUUCEWRRSA-N 1 0 376.316 2.770 20 0 GFADRO C[NH+](C)CCCN(C(=O)c1ccc(C(C)(C)C)s1)[C@@H]1CCS(=O)(=O)C1 ZINC000477745367 564385741 /nfs/dbraw/zinc/38/57/41/564385741.db2.gz LRPHQCFQBDLELH-CQSZACIVSA-N 1 0 386.583 2.627 20 0 GFADRO C[NH2+][C@H](CC(C)(C)C)C(=O)NCc1nnc(-c2ccc(Br)cc2)[nH]1 ZINC000567764268 564387066 /nfs/dbraw/zinc/38/70/66/564387066.db2.gz SOHTUUXBCYFKGH-CYBMUJFWSA-N 1 0 394.317 2.875 20 0 GFADRO O=C(CC[C@@H]1CC[NH2+]C1)Nc1cc(-c2cc(F)cc(Br)c2)[nH]n1 ZINC000567764273 564387432 /nfs/dbraw/zinc/38/74/32/564387432.db2.gz SPGICBJEMHVOSK-SNVBAGLBSA-N 1 0 381.249 3.307 20 0 GFADRO CC[NH+]1CCN(CC(C)(C)NS(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC000452061563 564387792 /nfs/dbraw/zinc/38/77/92/564387792.db2.gz VQNACWYAIOLIEP-UHFFFAOYSA-N 1 0 394.368 2.688 20 0 GFADRO CCOCCOC[C@H](O)C[NH2+][C@@H]1CCc2c1c(Br)ccc2F ZINC000477931836 564390383 /nfs/dbraw/zinc/39/03/83/564390383.db2.gz DBKBEEZWACMZER-IAQYHMDHSA-N 1 0 376.266 2.579 20 0 GFADRO CC1(C)CCC[N@@H+]1CCNS(=O)(=O)c1ccc(F)cc1Br ZINC000452093294 564390466 /nfs/dbraw/zinc/39/04/66/564390466.db2.gz WHHKGAUGHJZOID-UHFFFAOYSA-N 1 0 379.295 2.741 20 0 GFADRO CCc1c(NC(=O)CCOC2C[NH2+]C2)n[nH]c1-c1ccc(Br)cc1 ZINC000567822682 564391048 /nfs/dbraw/zinc/39/10/48/564391048.db2.gz JRPNPHWSGWBDJJ-UHFFFAOYSA-N 1 0 393.285 2.719 20 0 GFADRO C[C@@H]1C[C@@H](C)CN(S(=O)(=O)N(C)C2CC[NH+](CCC(F)(F)F)CC2)C1 ZINC000452096952 564391898 /nfs/dbraw/zinc/39/18/98/564391898.db2.gz PFHKIJMDMKWZAF-ZIAGYGMSSA-N 1 0 385.496 2.558 20 0 GFADRO Ic1cnc(C[NH2+]CCc2cn3ccccc3n2)s1 ZINC000512132998 564392275 /nfs/dbraw/zinc/39/22/75/564392275.db2.gz WVIMXWUXWJETLH-UHFFFAOYSA-N 1 0 384.246 2.728 20 0 GFADRO O=C(NC1CCC(N2CC[NH2+]CC2)CC1)c1csc(-c2cccs2)n1 ZINC000567845776 564392100 /nfs/dbraw/zinc/39/21/00/564392100.db2.gz GYCLIAPNGHBVKS-UHFFFAOYSA-N 1 0 376.551 2.818 20 0 GFADRO C[C@H]1C[C@H](C)CN(S(=O)(=O)N(C)C2CC[NH+](CCC(F)(F)F)CC2)C1 ZINC000452096950 564392125 /nfs/dbraw/zinc/39/21/25/564392125.db2.gz PFHKIJMDMKWZAF-KBPBESRZSA-N 1 0 385.496 2.558 20 0 GFADRO Cc1c(S(=O)(=O)N2CCCC[C@H]2CC[NH3+])cnn1-c1ccc(Cl)cc1 ZINC000567861778 564392775 /nfs/dbraw/zinc/39/27/75/564392775.db2.gz XTEMOYPXZLWBDL-HNNXBMFYSA-N 1 0 382.917 2.726 20 0 GFADRO CC(C)[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2cc(Br)c(F)cc2F)C1 ZINC000452102714 564393030 /nfs/dbraw/zinc/39/30/30/564393030.db2.gz JAXJZRZXANVBTQ-SNVBAGLBSA-N 1 0 397.285 2.831 20 0 GFADRO COc1cc(Br)cc(S(=O)(=O)N(C)[C@@H]2CC[N@@H+](C(C)C)C2)c1 ZINC000452109403 564393690 /nfs/dbraw/zinc/39/36/90/564393690.db2.gz YEFYLNHVKVAXKF-CYBMUJFWSA-N 1 0 391.331 2.561 20 0 GFADRO COC[C@@H](C[NH2+][C@H]1CCCOc2ccc(I)cc21)OC ZINC000512286413 564397228 /nfs/dbraw/zinc/39/72/28/564397228.db2.gz CCJPNZFMPOMWOO-OCCSQVGLSA-N 1 0 391.249 2.756 20 0 GFADRO COCCN(CC[NH+](C)C)C(=O)c1cc(Br)ccc1OC(F)F ZINC000567944090 564397563 /nfs/dbraw/zinc/39/75/63/564397563.db2.gz BOUZBBCMFXNNRV-UHFFFAOYSA-N 1 0 395.244 2.701 20 0 GFADRO OCC1([NH2+]C[C@H](O)COc2c(Cl)cccc2Cl)Cc2ccccc2C1 ZINC000512330495 564397805 /nfs/dbraw/zinc/39/78/05/564397805.db2.gz UUKDXOVVOFMARH-HNNXBMFYSA-N 1 0 382.287 2.853 20 0 GFADRO C[C@@H]1CN(C(=O)Cc2cccc(I)c2)CC[N@@H+](C2CC2)C1 ZINC000452170801 564397838 /nfs/dbraw/zinc/39/78/38/564397838.db2.gz JCWWPSDDOCTRKE-ZDUSSCGKSA-N 1 0 398.288 2.776 20 0 GFADRO CS(=O)(=O)c1ccc(-c2nc(CN3CCC4(CC[NH2+]4)CC3)cs2)cc1 ZINC000567986921 564398634 /nfs/dbraw/zinc/39/86/34/564398634.db2.gz JIAOFTAUCRQYLW-UHFFFAOYSA-N 1 0 377.535 2.542 20 0 GFADRO Cc1cc(Br)cc(C)c1S(=O)(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000512405696 564400232 /nfs/dbraw/zinc/40/02/32/564400232.db2.gz MZXPWGWBYVROJC-CYBMUJFWSA-N 1 0 375.332 2.638 20 0 GFADRO C[C@H](C[S@@](C)=O)[NH2+]C1CCC(NC(=O)COc2ccc(Cl)cc2)CC1 ZINC000512401202 564400546 /nfs/dbraw/zinc/40/05/46/564400546.db2.gz XMECJQZHGWNSHY-DQOUGYBZSA-N 1 0 386.945 2.503 20 0 GFADRO C[C@@H](C[NH+](C)C)NC(=O)N1CCO[C@H](c2ccc(F)c(Br)c2)C1 ZINC000512421579 564401329 /nfs/dbraw/zinc/40/13/29/564401329.db2.gz KTCIKAZVQUZCLS-NHYWBVRUSA-N 1 0 388.281 2.621 20 0 GFADRO COCCCOc1ccc(Cl)cc1S(=O)(=O)NC1(C[NH+](C)C)CCC1 ZINC000544863577 564402103 /nfs/dbraw/zinc/40/21/03/564402103.db2.gz PORYZJFQJVQCAZ-UHFFFAOYSA-N 1 0 390.933 2.518 20 0 GFADRO C[C@]1(CNC(=O)NCc2cc(Br)cc3c2OCC3)CCC[NH2+]C1 ZINC000568058673 564403330 /nfs/dbraw/zinc/40/33/30/564403330.db2.gz RXKAMZMDDHYPCM-KRWDZBQOSA-N 1 0 382.302 2.573 20 0 GFADRO COC(=O)C(C)(C)CC[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000512557855 564404997 /nfs/dbraw/zinc/40/49/97/564404997.db2.gz YZEHMCQBNBQGOZ-UHFFFAOYSA-N 1 0 399.329 2.965 20 0 GFADRO CC(C)Oc1cc(Br)ccc1C(=O)NC[C@H]1CCC[N@@H+]1CCCO ZINC000452348075 564407151 /nfs/dbraw/zinc/40/71/51/564407151.db2.gz KHSADKYXRMSEPY-OAHLLOKOSA-N 1 0 399.329 2.813 20 0 GFADRO COCC[N@@H+]1CCCN(C(=O)CCOc2cccc(Cl)c2Cl)CC1 ZINC000478563141 564407280 /nfs/dbraw/zinc/40/72/80/564407280.db2.gz QATLIOZWVCQBNQ-UHFFFAOYSA-N 1 0 375.296 2.943 20 0 GFADRO [NH3+]CCc1ccccc1C(=O)N[C@@H]1CCN(c2ccccc2Br)C1 ZINC000568153365 564407322 /nfs/dbraw/zinc/40/73/22/564407322.db2.gz CIZKYLHKZRWOLB-OAHLLOKOSA-N 1 0 388.309 2.959 20 0 GFADRO Cc1ncc(CNc2cccc(S(=O)(=O)NCCCC[NH+](C)C)c2)s1 ZINC000512663127 564407879 /nfs/dbraw/zinc/40/78/79/564407879.db2.gz GOIIPKSCURKPSL-UHFFFAOYSA-N 1 0 382.555 2.684 20 0 GFADRO O=C(NC[C@H]1CCC[N@H+]1CCCO)c1cc(Cl)cc(Br)c1F ZINC000452358008 564408241 /nfs/dbraw/zinc/40/82/41/564408241.db2.gz FNRUFCHQLSIDFP-LLVKDONJSA-N 1 0 393.684 2.818 20 0 GFADRO O=C(NC[C@@H]1CCCC[N@H+]1CCO)c1cc(F)c(Br)c(Cl)c1 ZINC000452377922 564409942 /nfs/dbraw/zinc/40/99/42/564409942.db2.gz NWJFNHYENOMRPF-NSHDSACASA-N 1 0 393.684 2.818 20 0 GFADRO C[NH+](C)CCn1ccc(C(=O)NCc2cc(Cl)ccc2Br)n1 ZINC000568228199 564410335 /nfs/dbraw/zinc/41/03/35/564410335.db2.gz RRMDXRTZZPCOFO-UHFFFAOYSA-N 1 0 385.693 2.791 20 0 GFADRO Ic1c[nH]c(-c2nc(CC3=[NH+][C@H]4CCCC[C@@H]4N3)no2)c1 ZINC000545141464 564410376 /nfs/dbraw/zinc/41/03/76/564410376.db2.gz NRFUYTDDMVTIKC-UWVGGRQHSA-N 1 0 397.220 2.525 20 0 GFADRO CCn1ccnc1[C@H](C)[NH2+]C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000568255508 564410988 /nfs/dbraw/zinc/41/09/88/564410988.db2.gz KJNBRGXQHUMBLM-FZMZJTMJSA-N 1 0 386.265 2.895 20 0 GFADRO O=C(CSc1cccc(Br)c1)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000452386573 564411114 /nfs/dbraw/zinc/41/11/14/564411114.db2.gz XREVPBCZZAFGIY-CQSZACIVSA-N 1 0 387.343 2.504 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)c2ccc(Cl)c(Br)c2)CC12CCOCC2 ZINC000568267032 564412177 /nfs/dbraw/zinc/41/21/77/564412177.db2.gz ZZVWMAWNKOVTSA-GFCCVEGCSA-N 1 0 387.705 2.930 20 0 GFADRO C[C@@H](NC(=O)NCc1cc(Br)cc2c1OCC2)C1=CC[N@H+](C)CC1 ZINC000545198562 564412420 /nfs/dbraw/zinc/41/24/20/564412420.db2.gz RXCVUZGDHGNAOP-GFCCVEGCSA-N 1 0 394.313 2.834 20 0 GFADRO O=C(NC[C@@H]1CCCC[N@H+]1CCO)c1cc2cc(Br)ccc2[nH]1 ZINC000452390481 564412926 /nfs/dbraw/zinc/41/29/26/564412926.db2.gz OGIYTZJNXZAXAB-AWEZNQCLSA-N 1 0 380.286 2.507 20 0 GFADRO CC[C@@H](Cc1ccccc1Br)C(=O)NC[C@H]1CCCC[N@@H+]1CCO ZINC000452395397 564413139 /nfs/dbraw/zinc/41/31/39/564413139.db2.gz WOJPUOSVQMVYBM-DOTOQJQBSA-N 1 0 397.357 2.981 20 0 GFADRO CCN(C)C(=O)CC[NH+]1CCN(Cc2cc(Br)ccc2F)CC1 ZINC000478744337 564413642 /nfs/dbraw/zinc/41/36/42/564413642.db2.gz IIFAHOWASFPURB-UHFFFAOYSA-N 1 0 386.309 2.574 20 0 GFADRO C[C@@H]([NH2+]Cc1cnn(-c2ccc(Br)cc2)c1)C1(S(C)(=O)=O)CC1 ZINC000512850860 564413720 /nfs/dbraw/zinc/41/37/20/564413720.db2.gz LQABCCLHSSBABW-GFCCVEGCSA-N 1 0 398.326 2.690 20 0 GFADRO COc1ccc(C[NH2+]C[C@@H]2CCCC[C@H]2NS(C)(=O)=O)c(Cl)c1OC ZINC000512856791 564414432 /nfs/dbraw/zinc/41/44/32/564414432.db2.gz OOVQMEFRWDRGNT-GXTWGEPZSA-N 1 0 390.933 2.555 20 0 GFADRO Cc1nc(CNC(=O)[C@H]([NH2+]C2CCOCC2)C(C)C)sc1Br ZINC000452401430 564414364 /nfs/dbraw/zinc/41/43/64/564414364.db2.gz XZWZYQKJWROVOR-CYBMUJFWSA-N 1 0 390.347 2.623 20 0 GFADRO CS(=O)(=O)N[C@H]1CCCC[C@H]1C[NH2+]Cc1ccc(Br)cc1F ZINC000512869421 564414628 /nfs/dbraw/zinc/41/46/28/564414628.db2.gz RQADKRJIJCZJKL-WFASDCNBSA-N 1 0 393.322 2.786 20 0 GFADRO CO[C@@H]1CCC[C@H]1[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000568357389 564415724 /nfs/dbraw/zinc/41/57/24/564415724.db2.gz REHJICIQDRYJFQ-UXIGCNINSA-N 1 0 378.694 2.999 20 0 GFADRO Cc1cccc(NC(=O)C(=O)NC[C@@H]2CC[N@@H+](C(C)C)C2)c1Br ZINC000545271465 564415945 /nfs/dbraw/zinc/41/59/45/564415945.db2.gz UYCDIACEOKBRTG-ZDUSSCGKSA-N 1 0 382.302 2.543 20 0 GFADRO CC[NH+](CC)CC[C@@H](CO)NC(=O)c1cn(C)nc1-c1ccc(Cl)s1 ZINC000568409511 564417535 /nfs/dbraw/zinc/41/75/35/564417535.db2.gz KGLHHYMVRXCXJW-LBPRGKRZSA-N 1 0 384.933 2.625 20 0 GFADRO CCCNC(=O)[C@@H]1CCC[N@H+](Cc2ccc(C(=O)OC)cc2Br)C1 ZINC000568423464 564418502 /nfs/dbraw/zinc/41/85/02/564418502.db2.gz VAXYLLGLKMXAMW-OAHLLOKOSA-N 1 0 397.313 2.974 20 0 GFADRO Cc1ccc(-c2ncc(C[NH2+][C@@H]3CCCN(S(=O)(=O)C4CC4)C3)s2)o1 ZINC000513047430 564418820 /nfs/dbraw/zinc/41/88/20/564418820.db2.gz RNJUHTDFUJKZCT-CYBMUJFWSA-N 1 0 381.523 2.758 20 0 GFADRO CC[NH+]1C[C@H](C)N(C(=O)c2csc(I)c2)[C@@H](C)C1 ZINC000568438304 564419251 /nfs/dbraw/zinc/41/92/51/564419251.db2.gz OMWXKECUHBMAQV-UWVGGRQHSA-N 1 0 378.279 2.907 20 0 GFADRO CCCN1C[C@@H](C[NH2+]C[C@@H](O)COc2ccc(Cl)cc2Cl)CC1=O ZINC000568502042 564421419 /nfs/dbraw/zinc/42/14/19/564421419.db2.gz BINSCRGROJSEFK-TZMCWYRMSA-N 1 0 375.296 2.581 20 0 GFADRO O=c1c2csc(Cl)c2ncn1C[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000568512570 564422029 /nfs/dbraw/zinc/42/20/29/564422029.db2.gz WIQOXVWZNAFTHX-AWEZNQCLSA-N 1 0 375.881 2.531 20 0 GFADRO CN(Cc1ccc(Cl)s1)C(=O)C(=O)NCC[N@H+](C)Cc1ccccc1 ZINC000479097773 564424919 /nfs/dbraw/zinc/42/49/19/564424919.db2.gz TXPGHXFPPUWIHI-UHFFFAOYSA-N 1 0 379.913 2.608 20 0 GFADRO Cn1nc(-c2ccc(Cl)s2)cc1NC(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000568606670 564426850 /nfs/dbraw/zinc/42/68/50/564426850.db2.gz RKDXKUANPFXJEO-SNVBAGLBSA-N 1 0 375.832 2.921 20 0 GFADRO CNS(=O)(=O)NC1CC[NH+](Cc2sc3c(cccc3Cl)c2C)CC1 ZINC000513360849 564427582 /nfs/dbraw/zinc/42/75/82/564427582.db2.gz FWSBZQLWCGKNKK-UHFFFAOYSA-N 1 0 387.958 2.881 20 0 GFADRO Cc1cc(S(=O)(=O)N2CCC([C@@H](C)[NH3+])CC2)c(F)cc1Br ZINC000568630308 564427692 /nfs/dbraw/zinc/42/76/92/564427692.db2.gz VTAOQWDERXJTQP-SNVBAGLBSA-N 1 0 379.295 2.645 20 0 GFADRO CCc1ccc(-c2csc(NC(=O)CCNC(=O)[C@@H]3CCC[NH2+]3)n2)s1 ZINC000568626799 564427963 /nfs/dbraw/zinc/42/79/63/564427963.db2.gz ZIENCHYOJLJNIB-LBPRGKRZSA-N 1 0 378.523 2.631 20 0 GFADRO COCCC[N@H+](C)CCNC(=O)C1(c2cc(F)cc(Br)c2)CC1 ZINC000513457460 564430411 /nfs/dbraw/zinc/43/04/11/564430411.db2.gz XIZWQSGOKXZHRN-UHFFFAOYSA-N 1 0 387.293 2.704 20 0 GFADRO CCc1ncc(S(=O)(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)s1 ZINC000545891413 564435599 /nfs/dbraw/zinc/43/55/99/564435599.db2.gz YAJWVHLBIWGIAK-GOEBONIOSA-N 1 0 379.551 2.894 20 0 GFADRO O=C(NCc1cc(Br)cc2c1OCC2)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000545900857 564436619 /nfs/dbraw/zinc/43/66/19/564436619.db2.gz HZIUZDJLQBZZFC-CVEARBPZSA-N 1 0 394.313 2.810 20 0 GFADRO Cc1ccc(CN(CC[NH+](C)C)S(=O)(=O)c2ccc(Br)o2)o1 ZINC000546092381 564443943 /nfs/dbraw/zinc/44/39/43/564443943.db2.gz UORTZUSKSKIWTD-UHFFFAOYSA-N 1 0 391.287 2.696 20 0 GFADRO C[C@@H]1COCC[N@@H+]1C1CCN(CC(=O)N(C)Cc2ccc(Cl)s2)CC1 ZINC000568997856 564444718 /nfs/dbraw/zinc/44/47/18/564444718.db2.gz OCIMPZDHWBGPIC-CQSZACIVSA-N 1 0 385.961 2.545 20 0 GFADRO C[C@@H]([NH2+]CCCN1CCOCC1)c1ccc(F)c(I)c1 ZINC000453057518 564445399 /nfs/dbraw/zinc/44/53/99/564445399.db2.gz MKJTYKDOYRHNKZ-GFCCVEGCSA-N 1 0 392.256 2.803 20 0 GFADRO C[N@H+](C[C@@H](O)COc1ccc(Br)cc1)[C@H](CO)c1ccccc1 ZINC000479616307 564445574 /nfs/dbraw/zinc/44/55/74/564445574.db2.gz JZYUBEAVVLPTFE-SJLPKXTDSA-N 1 0 380.282 2.854 20 0 GFADRO CC(C)C(=O)NCC[NH2+][C@@H](C)c1ccc(F)c(I)c1 ZINC000453057856 564445890 /nfs/dbraw/zinc/44/58/90/564445890.db2.gz NWMVSGTZBIJSJS-JTQLQIEISA-N 1 0 378.229 2.853 20 0 GFADRO CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)N1CCC[C@H](C[NH3+])C1 ZINC000569093644 564449083 /nfs/dbraw/zinc/44/90/83/564449083.db2.gz ISNSUTYHQDFCMQ-ZENOOKHLSA-N 1 0 384.318 2.905 20 0 GFADRO C[NH+](C)CC1(NS(=O)(=O)c2cc(Br)ccc2Cl)CCC1 ZINC000546197932 564449185 /nfs/dbraw/zinc/44/91/85/564449185.db2.gz VYMXFXNZOSYEQN-UHFFFAOYSA-N 1 0 381.723 2.865 20 0 GFADRO C[C@H](CCS(C)(=O)=O)[NH2+][C@@H](C)c1ccc(F)c(I)c1 ZINC000453156570 564449263 /nfs/dbraw/zinc/44/92/63/564449263.db2.gz ZQHYKRSSWFAMIN-ZJUUUORDSA-N 1 0 399.269 2.904 20 0 GFADRO C[C@H]([NH2+]CC1([S@@](C)=O)CC1)c1ccc(F)c(I)c1 ZINC000453215582 564449644 /nfs/dbraw/zinc/44/96/44/564449644.db2.gz NYXWGXHKAGMCML-NIVTXAMTSA-N 1 0 381.254 2.992 20 0 GFADRO C[C@@H]([NH2+][C@@H](C)C(=O)NCCF)c1ccc(F)c(I)c1 ZINC000453205019 564449670 /nfs/dbraw/zinc/44/96/70/564449670.db2.gz COTQAFLMBIRYGK-BDAKNGLRSA-N 1 0 382.192 2.555 20 0 GFADRO C[C@H]([NH2+]C[C@@]1(O)CCO[C@H]1C)c1ccc(F)c(I)c1 ZINC000453223269 564450188 /nfs/dbraw/zinc/45/01/88/564450188.db2.gz QUMOODHLBYGBMG-BHDSKKPTSA-N 1 0 379.213 2.621 20 0 GFADRO C[C@H]1CC2(CN1C(=O)C(=O)NCc1cccc(Cl)c1Cl)CC[NH2+]CC2 ZINC000569140200 564450625 /nfs/dbraw/zinc/45/06/25/564450625.db2.gz FVUVBPGQPJHHTP-LBPRGKRZSA-N 1 0 384.307 2.600 20 0 GFADRO O=S1(=O)CCC(O)(C[NH2+][C@@H](c2c(Cl)cccc2Cl)C2CC2)CC1 ZINC000569158556 564451750 /nfs/dbraw/zinc/45/17/50/564451750.db2.gz WWATVSCLSIEZTM-OAHLLOKOSA-N 1 0 378.321 2.974 20 0 GFADRO C[NH+]1CCC(n2ccc(NC(=O)Nc3cccc(Br)c3)n2)CC1 ZINC000569177455 564451785 /nfs/dbraw/zinc/45/17/85/564451785.db2.gz FTDDKNPIVIMUMY-UHFFFAOYSA-N 1 0 378.274 3.556 20 0 GFADRO C[C@H](CCCCO)[NH2+][C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000453278229 564452170 /nfs/dbraw/zinc/45/21/70/564452170.db2.gz CECHQBBLSKYUOM-BXUZGUMPSA-N 1 0 376.316 2.808 20 0 GFADRO Cc1ccncc1C[NH2+][C@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000453326633 564453109 /nfs/dbraw/zinc/45/31/09/564453109.db2.gz NPCCGJISHUUDEL-LLVKDONJSA-N 1 0 384.299 2.651 20 0 GFADRO C[C@H]([NH3+])C[C@H](C)NC(=O)NCc1ccc(I)cc1Cl ZINC000514671668 564453572 /nfs/dbraw/zinc/45/35/72/564453572.db2.gz YQTMNTJZCZANGE-IUCAKERBSA-N 1 0 395.672 2.870 20 0 GFADRO COc1ccc(C[C@H](CO)C[NH2+][C@@H](C)c2cnn(C)c2)cc1Br ZINC000453338865 564453832 /nfs/dbraw/zinc/45/38/32/564453832.db2.gz AZMUBDYZAOPBEK-JSGCOSHPSA-N 1 0 382.302 2.693 20 0 GFADRO Cc1ccc(C[C@@H](CO)C[NH2+][C@@H](C)c2ccc(=O)[nH]n2)cc1Br ZINC000453344095 564453933 /nfs/dbraw/zinc/45/39/33/564453933.db2.gz DAEPHADVBVURCC-GXTWGEPZSA-N 1 0 380.286 2.755 20 0 GFADRO COc1ccc(C[C@H](CO)C[NH2+][C@H](C)c2ccnn2C)cc1Br ZINC000453356088 564455002 /nfs/dbraw/zinc/45/50/02/564455002.db2.gz IIPKDCRLXFAIBK-OCCSQVGLSA-N 1 0 382.302 2.693 20 0 GFADRO CC[C@@H]([NH2+][C@@H]1CCS(=O)(=O)c2ccc(Br)cc21)[C@@H](O)CC ZINC000453379675 564456352 /nfs/dbraw/zinc/45/63/52/564456352.db2.gz QZQRKMLACOUQNA-MCIONIFRSA-N 1 0 376.316 2.807 20 0 GFADRO Cc1c([C@@H](C)[NH2+]C[C@@]2(C)CCC(=O)N2)nnn1-c1cccc(Br)c1 ZINC000453405355 564456850 /nfs/dbraw/zinc/45/68/50/564456850.db2.gz QJLXYYNDEAGRMR-PIGZYNQJSA-N 1 0 392.301 2.658 20 0 GFADRO CC[C@H](C)[NH+]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC)CC1 ZINC000453473011 564456858 /nfs/dbraw/zinc/45/68/58/564456858.db2.gz WNEAKGJKDFSAFV-LBPRGKRZSA-N 1 0 381.322 2.976 20 0 GFADRO O=C(NCc1noc(-c2cccc(Br)c2)n1)[C@H]1CC12CC[NH2+]CC2 ZINC000569338216 564458778 /nfs/dbraw/zinc/45/87/78/564458778.db2.gz IYJIKTJQEODSFN-CYBMUJFWSA-N 1 0 391.269 2.505 20 0 GFADRO Cc1cc(Br)c(CN2CC[NH+]([C@@H]3CCNC(=O)CC3)CC2)s1 ZINC000453593409 564459349 /nfs/dbraw/zinc/45/93/49/564459349.db2.gz JGFNXLNZZUJZQU-ZDUSSCGKSA-N 1 0 386.359 2.605 20 0 GFADRO COc1cc(C[NH2+]Cc2sc(C)cc2Br)ccc1OCC(N)=O ZINC000453581385 564459514 /nfs/dbraw/zinc/45/95/14/564459514.db2.gz CMBIHRMSUIYIIT-UHFFFAOYSA-N 1 0 399.310 2.982 20 0 GFADRO C[N@H+](CCO)C1CCN(c2cc(C(F)(F)F)c(Br)cn2)CC1 ZINC000569356081 564459748 /nfs/dbraw/zinc/45/97/48/564459748.db2.gz LVLHTKKAVVWVMV-UHFFFAOYSA-N 1 0 382.224 2.756 20 0 GFADRO Cc1cc(S(=O)(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)c(F)cc1Br ZINC000514860861 564459992 /nfs/dbraw/zinc/45/99/92/564459992.db2.gz XDOIXJXFHNXQOM-TXEJJXNPSA-N 1 0 391.306 2.517 20 0 GFADRO COCC1(CNC(=O)c2cc(Cl)cc(F)c2Br)CC[NH2+]CC1 ZINC000514855578 564460241 /nfs/dbraw/zinc/46/02/41/564460241.db2.gz QTSJQNFKJLNJCJ-UHFFFAOYSA-N 1 0 393.684 2.988 20 0 GFADRO [NH3+]C1CCN(C(=O)NCC2(c3ccc(Br)cc3)CCOCC2)CC1 ZINC000514848929 564460275 /nfs/dbraw/zinc/46/02/75/564460275.db2.gz FAZQLPCKHUXAPE-UHFFFAOYSA-N 1 0 396.329 2.630 20 0 GFADRO C[C@H](NC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1)c1ncc(Br)cn1 ZINC000514844096 564460294 /nfs/dbraw/zinc/46/02/94/564460294.db2.gz PHZRPEJTKONPTR-DZGCQCFKSA-N 1 0 396.333 2.960 20 0 GFADRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)Nc1cc(Cl)cc(Br)c1 ZINC000453630667 564460318 /nfs/dbraw/zinc/46/03/18/564460318.db2.gz MIINDUNBENKJRA-SNVBAGLBSA-N 1 0 390.709 2.888 20 0 GFADRO C[C@H](Cc1c[nH]cn1)C(=O)N1CCO[C@@H](c2cccc(Br)c2)C1 ZINC000514870539 564460788 /nfs/dbraw/zinc/46/07/88/564460788.db2.gz IXOGVNIBWZOYAK-MLGOLLRUSA-N 1 0 378.270 2.951 20 0 GFADRO CC(C)[NH2+]C1(CO)CCN(C[C@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000514870387 564461031 /nfs/dbraw/zinc/46/10/31/564461031.db2.gz JBAZCYYOUKDGQY-AWEZNQCLSA-N 1 0 391.339 2.558 20 0 GFADRO O=S(=O)(NCC[NH2+]CC1Cc2ccccc2C1)c1ccc(F)cc1Cl ZINC000514897783 564461126 /nfs/dbraw/zinc/46/11/26/564461126.db2.gz ZMWUXZNLXVEAJF-UHFFFAOYSA-N 1 0 382.888 2.762 20 0 GFADRO CCc1nncn1CC[NH2+][C@H](C)CC(=O)Nc1cccc(Br)c1 ZINC000546678842 564464606 /nfs/dbraw/zinc/46/46/06/564464606.db2.gz OFQQEXIZNKICDH-GFCCVEGCSA-N 1 0 380.290 2.610 20 0 GFADRO CC[C@@H](C)N(C)CC[NH2+][C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000480230597 564464823 /nfs/dbraw/zinc/46/48/23/564464823.db2.gz WKLXPINNGYLNCT-IUODEOHRSA-N 1 0 389.359 2.988 20 0 GFADRO O[C@@H](C[NH2+]CCOc1ncc(Cl)cc1Cl)COc1ccc(F)cc1 ZINC000569476256 564465734 /nfs/dbraw/zinc/46/57/34/564465734.db2.gz TYUJQPWBRHQAMY-ZDUSSCGKSA-N 1 0 375.227 2.936 20 0 GFADRO C[C@@H]([NH2+]C[C@@H](c1ccsc1)N(C)C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000480247780 564465845 /nfs/dbraw/zinc/46/58/45/564465845.db2.gz NBDUELVPVUTYKD-KDOFPFPSSA-N 1 0 381.567 2.952 20 0 GFADRO C[NH+](C)[C@@]1(CNC(=O)Cc2csc(Cc3ccccc3)n2)CCSC1 ZINC000480265019 564466621 /nfs/dbraw/zinc/46/66/21/564466621.db2.gz NELGOIYWZLANIL-LJQANCHMSA-N 1 0 375.563 2.830 20 0 GFADRO COC(=O)c1cn(CC[NH2+][C@H](c2ccc(Br)cc2F)C2CC2)nn1 ZINC000569513702 564466691 /nfs/dbraw/zinc/46/66/91/564466691.db2.gz PJBVZZZBDOBHAR-HNNXBMFYSA-N 1 0 397.248 2.707 20 0 GFADRO Cc1cc(Cl)cc(NC(=O)C(=O)NC[C@H](C)C[NH+](C)C)c1Br ZINC000453750241 564469448 /nfs/dbraw/zinc/46/94/48/564469448.db2.gz ATZBEKGCZZIZOQ-VIFPVBQESA-N 1 0 390.709 2.663 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)Nc2nc3c(cccc3Br)s2)CCCO1 ZINC000569574163 564469785 /nfs/dbraw/zinc/46/97/85/564469785.db2.gz NURRSASQBMZXBP-SECBINFHSA-N 1 0 385.287 2.640 20 0 GFADRO C[NH+](C)[C@]1(CNC(=O)COc2ccc(F)cc2Br)CCSC1 ZINC000480387000 564470282 /nfs/dbraw/zinc/47/02/82/564470282.db2.gz TVRMCRQZNWRWSB-HNNXBMFYSA-N 1 0 391.306 2.521 20 0 GFADRO COc1cccc(C[NH2+]C[C@H](O)COc2cccc(Br)c2)c1OC ZINC000569711154 564475413 /nfs/dbraw/zinc/47/54/13/564475413.db2.gz PIZRMAFVDDWTAZ-HNNXBMFYSA-N 1 0 396.281 2.996 20 0 GFADRO COC1(C(=O)N[C@H]2C[C@H](c3ccc(F)c(Br)c3)C2)CC[NH2+]CC1 ZINC000569724942 564475597 /nfs/dbraw/zinc/47/55/97/564475597.db2.gz WBVRSXNVICBKJR-JOCQHMNTSA-N 1 0 385.277 2.719 20 0 GFADRO COc1cc(CNC(=O)C[C@@H]2CCCC[C@H]2[NH3+])cc(Br)c1OC ZINC000569807898 564479281 /nfs/dbraw/zinc/47/92/81/564479281.db2.gz XIOOTUDFTWDXHG-GXTWGEPZSA-N 1 0 385.302 2.990 20 0 GFADRO COc1cc(CNC(=O)C[C@H]2CCCC[C@H]2[NH3+])cc(Br)c1OC ZINC000569807906 564479388 /nfs/dbraw/zinc/47/93/88/564479388.db2.gz XIOOTUDFTWDXHG-TZMCWYRMSA-N 1 0 385.302 2.990 20 0 GFADRO COc1ccc(S(=O)(=O)N2CCC([NH2+]C[C@H](C)C(F)(F)F)CC2)cc1 ZINC000480660683 564480805 /nfs/dbraw/zinc/48/08/05/564480805.db2.gz GPDKOJJCSJKDHL-LBPRGKRZSA-N 1 0 380.432 2.636 20 0 GFADRO CC[NH2+]CC1CCN(S(=O)(=O)c2cc(OC)cc(C(F)(F)F)c2)CC1 ZINC000569845446 564481252 /nfs/dbraw/zinc/48/12/52/564481252.db2.gz OWWGURGHGYBFBD-UHFFFAOYSA-N 1 0 380.432 2.724 20 0 GFADRO C[N@@H+]1CC[C@](O)(CNC(=O)Nc2cccc(Cl)c2SCC(F)F)C1 ZINC000547282654 564482613 /nfs/dbraw/zinc/48/26/13/564482613.db2.gz XPCFZJGEBFUSQL-HNNXBMFYSA-N 1 0 379.860 2.885 20 0 GFADRO CC(C)[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2cc(Cl)c(Cl)cc2F)C1 ZINC000569893641 564483234 /nfs/dbraw/zinc/48/32/34/564483234.db2.gz UWWGIBRZAFMHAE-SNVBAGLBSA-N 1 0 376.259 2.918 20 0 GFADRO CN1CCN(C(=O)N[C@H](c2ccsc2)c2ccc(Cl)cc2)[C@H](C[NH3+])C1 ZINC000515619427 564484099 /nfs/dbraw/zinc/48/40/99/564484099.db2.gz ILIHMZONBBFFGT-SJORKVTESA-N 1 0 378.929 2.775 20 0 GFADRO Cc1cc(F)c(Br)cc1S(=O)(=O)N[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000480717478 564484254 /nfs/dbraw/zinc/48/42/54/564484254.db2.gz SSWYXBRNSNAUSB-YGRLFVJLSA-N 1 0 391.306 2.658 20 0 GFADRO [NH3+][C@@H](CC(F)F)C(=O)NCc1ccc(I)c(Cl)c1 ZINC000569967857 564486176 /nfs/dbraw/zinc/48/61/76/564486176.db2.gz YOCABRUSTHIDLS-VIFPVBQESA-N 1 0 388.583 2.543 20 0 GFADRO Cn1nccc1[C@@H]1C[C@H]([NH2+]Cc2cn3ccc(Br)cc3n2)CCO1 ZINC000515769941 564486432 /nfs/dbraw/zinc/48/64/32/564486432.db2.gz OAOHDTGNOMEVTF-CJNGLKHVSA-N 1 0 390.285 2.840 20 0 GFADRO CN(CCC[NH+]1CCCC1)C(=O)c1ccc(F)cc1I ZINC000547400551 564487228 /nfs/dbraw/zinc/48/72/28/564487228.db2.gz VZRWZMDDSBJHPP-UHFFFAOYSA-N 1 0 390.240 2.988 20 0 GFADRO COc1ccc(S(=O)(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)c(Br)c1 ZINC000480760867 564487472 /nfs/dbraw/zinc/48/74/72/564487472.db2.gz BUEDNYLCRSPIEG-NEPJUHHUSA-N 1 0 391.331 2.609 20 0 GFADRO CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)c1conc1C(C)(C)[NH3+] ZINC000515867156 564489380 /nfs/dbraw/zinc/48/93/80/564489380.db2.gz IAPNXQVQIYMNRU-UHFFFAOYSA-N 1 0 385.251 2.886 20 0 GFADRO Cc1cc(Br)c(S(=O)(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)s1 ZINC000480851925 564491687 /nfs/dbraw/zinc/49/16/87/564491687.db2.gz GWNROMUGBFVHBO-AAEUAGOBSA-N 1 0 393.372 2.924 20 0 GFADRO CCOC(=O)CC[C@@H](O)C[NH2+]CCc1cc(Cl)ccc1Br ZINC000570155593 564493216 /nfs/dbraw/zinc/49/32/16/564493216.db2.gz NUYUIPRLDQSFTK-CYBMUJFWSA-N 1 0 378.694 2.939 20 0 GFADRO CC1(C)CCC[N@@H+]1CCNC(=O)C(=O)Nc1cc(F)ccc1Br ZINC000454066687 564494958 /nfs/dbraw/zinc/49/49/58/564494958.db2.gz HVLLDWGOPVERJL-UHFFFAOYSA-N 1 0 386.265 2.517 20 0 GFADRO CC1(C)CCC[N@@H+]1CCNC(=O)C(=O)Nc1nc(-c2cccs2)cs1 ZINC000454066759 564495516 /nfs/dbraw/zinc/49/55/16/564495516.db2.gz IGOBTGLNXXDUFL-UHFFFAOYSA-N 1 0 378.523 2.801 20 0 GFADRO Cc1c2cccc(Br)c2oc1C(=O)NC[C@@]1(O)C[NH+]2CCC1CC2 ZINC000516193142 564496013 /nfs/dbraw/zinc/49/60/13/564496013.db2.gz OZJTYQSLPNMVBG-GOSISDBHSA-N 1 0 393.281 2.690 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)C(=O)NCCCC[N@@H+](C)C1CC1 ZINC000454086906 564497137 /nfs/dbraw/zinc/49/71/37/564497137.db2.gz FDVCSCGCJGKCJU-UHFFFAOYSA-N 1 0 382.302 2.687 20 0 GFADRO Cc1ccc(CC[NH2+]C[C@@H](O)COc2cc(F)cc(Br)c2)nc1 ZINC000516276753 564498587 /nfs/dbraw/zinc/49/85/87/564498587.db2.gz LBAHJTNATODUSB-MRXNPFEDSA-N 1 0 383.261 2.864 20 0 GFADRO Cc1nc(C(C)C)sc1[C@@H](C)[NH2+]C[C@@H]1CCCCN1S(=O)(=O)N(C)C ZINC000570361354 564502814 /nfs/dbraw/zinc/50/28/14/564502814.db2.gz VGELYFWRTMEROE-HIFRSBDPSA-N 1 0 388.603 2.886 20 0 GFADRO CC(=O)N[C@@H](C)C1CC[NH+](C[C@@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000481149455 564505150 /nfs/dbraw/zinc/50/51/50/564505150.db2.gz PCTAWEVMIVBQMG-SWLSCSKDSA-N 1 0 389.323 2.970 20 0 GFADRO CO[C@@H]1CCN(C(=O)CCSc2ccc(Br)cc2)[C@@H](C[NH3+])C1 ZINC000516562652 564505148 /nfs/dbraw/zinc/50/51/48/564505148.db2.gz LJBYYNKCMHQTLB-ZIAGYGMSSA-N 1 0 387.343 2.896 20 0 GFADRO COC[C@@]1(C(=O)NCCSCc2ccc(Cl)cc2Cl)CC[NH2+]C1 ZINC000516572478 564505772 /nfs/dbraw/zinc/50/57/72/564505772.db2.gz JHJYBKXGUHVIFB-MRXNPFEDSA-N 1 0 377.337 2.969 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCC[C@H](S(C)(=O)=O)C1)c1ncc(Br)cc1F ZINC000547653937 564506097 /nfs/dbraw/zinc/50/60/97/564506097.db2.gz HFNZIUMMYPZPLM-WCQGTBRESA-N 1 0 379.295 2.990 20 0 GFADRO C[C@H]1C[C@@H]([NH3+])CCN1S(=O)(=O)Cc1cc(Cl)ccc1Br ZINC000570461815 564507227 /nfs/dbraw/zinc/50/72/27/564507227.db2.gz VRWSLIZLDWTHTH-CABZTGNLSA-N 1 0 381.723 2.744 20 0 GFADRO O=C(C[NH2+]C[C@@H]1CCCO1)N1CCC(c2cccc(Br)c2)CC1 ZINC000570508060 564509307 /nfs/dbraw/zinc/50/93/07/564509307.db2.gz IYUALNDHQNTFAD-KRWDZBQOSA-N 1 0 381.314 2.924 20 0 GFADRO [NH3+][C@@H]1CCC[C@H](CNC(=O)CCNC(=O)Nc2ccc(Br)cc2)C1 ZINC000570508067 564509336 /nfs/dbraw/zinc/50/93/36/564509336.db2.gz JFQHCWZLOLFJGA-GXTWGEPZSA-N 1 0 397.317 2.594 20 0 GFADRO C[NH+](C)[C@@]1(CNS(=O)(=O)Cc2cccc(C(F)(F)F)c2)CCSC1 ZINC000481336457 564510352 /nfs/dbraw/zinc/51/03/52/564510352.db2.gz HRGMPACUOXBTCR-CQSZACIVSA-N 1 0 382.473 2.562 20 0 GFADRO OC[C@H]([NH2+]C[C@@H]1CN(c2ccccc2)CCO1)c1cccc(Br)c1 ZINC000570525185 564511131 /nfs/dbraw/zinc/51/11/31/564511131.db2.gz BBNOTHQVIARMBX-MOPGFXCFSA-N 1 0 391.309 2.978 20 0 GFADRO C[C@H](CNC(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1)Oc1ccc(Br)cc1 ZINC000570549960 564511403 /nfs/dbraw/zinc/51/14/03/564511403.db2.gz KOMNYFOHHUGGNS-IOASZLSFSA-N 1 0 382.302 2.610 20 0 GFADRO C[C@@H]1CN(C[C@@H](O)C[NH2+][C@H]2C[C@H](c3ccc(Br)cc3)C2)C[C@@H](C)O1 ZINC000516762716 564511594 /nfs/dbraw/zinc/51/15/94/564511594.db2.gz KZZJVDAGBLXMPM-NAHQNRHBSA-N 1 0 397.357 2.755 20 0 GFADRO C[C@H]1[NH2+]CC[C@@H]1C(=O)NCc1ccc(I)c(Cl)c1 ZINC000516767937 564511652 /nfs/dbraw/zinc/51/16/52/564511652.db2.gz CDGUTLPAFCBWDG-SCZZXKLOSA-N 1 0 378.641 2.559 20 0 GFADRO C[C@@H](CNC(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1)Oc1cccc(Br)c1 ZINC000454572509 564514974 /nfs/dbraw/zinc/51/49/74/564514974.db2.gz HIPLBBSSDNLHPT-HEHGZKQESA-N 1 0 382.302 2.562 20 0 GFADRO C[C@@H](C[NH+]1CCC(C)CC1)NS(=O)(=O)c1cc(F)ccc1OC(F)F ZINC000516878874 564515125 /nfs/dbraw/zinc/51/51/25/564515125.db2.gz YTFGFLIMLWTRSQ-LBPRGKRZSA-N 1 0 380.432 2.826 20 0 GFADRO C[C@@H](CNC(=O)C(=O)Nc1ccc(C(F)(F)F)cc1Cl)[NH+]1CCCC1 ZINC000516894268 564515305 /nfs/dbraw/zinc/51/53/05/564515305.db2.gz WQXZOTLTGRZPFW-JTQLQIEISA-N 1 0 377.794 2.898 20 0 GFADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@H](O)CCc1ccccc1 ZINC000516917489 564515730 /nfs/dbraw/zinc/51/57/30/564515730.db2.gz LSALSVWGRTYVHX-RHSMWYFYSA-N 1 0 379.298 2.583 20 0 GFADRO C[NH+](C)[C@]1(CNC(=O)N2CCO[C@@H](c3ccc(Cl)cc3)C2)CCSC1 ZINC000454605508 564515758 /nfs/dbraw/zinc/51/57/58/564515758.db2.gz MZONSQOWUSONDC-AEFFLSMTSA-N 1 0 383.945 2.860 20 0 GFADRO Cc1ccc(Cl)c(OC[C@H](O)C[NH2+]Cc2ccc(S(C)(=O)=O)cc2)c1 ZINC000570675427 564515973 /nfs/dbraw/zinc/51/59/73/564515973.db2.gz LVHBFGVPPCIRTE-OAHLLOKOSA-N 1 0 383.897 2.581 20 0 GFADRO C[C@@H]([NH3+])[C@@H](C)NC(=O)c1nn(-c2cccc(Br)c2)c2c1CCCC2 ZINC000570682284 564517250 /nfs/dbraw/zinc/51/72/50/564517250.db2.gz YDLBAMAPFJOLIX-VXGBXAGGSA-N 1 0 391.313 2.979 20 0 GFADRO Cc1nn(C)c(C)c1C[C@H](C)[NH2+]C[C@H](O)COc1cccc(Br)c1 ZINC000570676001 564517366 /nfs/dbraw/zinc/51/73/66/564517366.db2.gz FEFXYUHGHMDIHY-LRDDRELGSA-N 1 0 396.329 2.760 20 0 GFADRO C[C@H]([NH3+])[C@H](C)NC(=O)c1nn(-c2cccc(Br)c2)c2c1CCCC2 ZINC000570682280 564517450 /nfs/dbraw/zinc/51/74/50/564517450.db2.gz YDLBAMAPFJOLIX-RYUDHWBXSA-N 1 0 391.313 2.979 20 0 GFADRO CC[C@@H]([NH2+]CCOCC(F)(F)F)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000481670822 564518546 /nfs/dbraw/zinc/51/85/46/564518546.db2.gz MLFIJGUJTVLHQD-GFCCVEGCSA-N 1 0 388.839 2.868 20 0 GFADRO C[C@H](CNC(=O)c1ccc(I)cn1)[N@@H+]1CCC[C@H](C)C1 ZINC000454728927 564520237 /nfs/dbraw/zinc/52/02/37/564520237.db2.gz DCTHRQRCCPSDBJ-NWDGAFQWSA-N 1 0 387.265 2.536 20 0 GFADRO COc1c(Br)cc(Cl)cc1NC(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000570782526 564521754 /nfs/dbraw/zinc/52/17/54/564521754.db2.gz ZIWRJTRQDKWYFG-SNVBAGLBSA-N 1 0 392.681 2.693 20 0 GFADRO Cc1nc(Cc2ccccc2)sc1[C@@H](C)[NH2+][C@H]1CCN(S(C)(=O)=O)C1 ZINC000517035854 564522565 /nfs/dbraw/zinc/52/25/65/564522565.db2.gz QVDBIBMPNIUSCM-CJNGLKHVSA-N 1 0 379.551 2.727 20 0 GFADRO CCOC(=O)C[C@H]1C[C@@H](OC)C[N@@H+]1CCOc1cccc(Br)c1 ZINC000481758769 564522852 /nfs/dbraw/zinc/52/28/52/564522852.db2.gz DQBNMGGJMRZCAJ-GDBMZVCRSA-N 1 0 386.286 2.870 20 0 GFADRO O=C(C[NH2+][C@H](c1cc(F)cc(Br)c1)C1CC1)NC(=O)NC1CC1 ZINC000481771456 564523046 /nfs/dbraw/zinc/52/30/46/564523046.db2.gz WATIUDZKEBYWRM-HNNXBMFYSA-N 1 0 384.249 2.617 20 0 GFADRO C[NH+](C)[C@@]1(CNC(=O)Nc2ccc(OCC(F)(F)F)nc2)CCSC1 ZINC000481776440 564523684 /nfs/dbraw/zinc/52/36/84/564523684.db2.gz IBZORKUIYGRCCV-CQSZACIVSA-N 1 0 378.420 2.582 20 0 GFADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@@H]1CCC[C@H](N2CCCC2=O)C1 ZINC000570816746 564523770 /nfs/dbraw/zinc/52/37/70/564523770.db2.gz VKMRQNRTJOOTMF-BMFZPTHFSA-N 1 0 396.329 2.523 20 0 GFADRO CC(C)[NH+](CCCNC(=O)N(C)CCn1cc(Br)cn1)C(C)C ZINC000570845920 564524218 /nfs/dbraw/zinc/52/42/18/564524218.db2.gz JTJRJPHQVAWOJO-UHFFFAOYSA-N 1 0 388.354 2.796 20 0 GFADRO OC[C@H](C[NH2+]Cc1cccc(Br)c1OC(F)F)[C@@H]1CCOC1 ZINC000481816834 564525215 /nfs/dbraw/zinc/52/52/15/564525215.db2.gz RAFVHNTTYGODBJ-NEPJUHHUSA-N 1 0 380.229 2.785 20 0 GFADRO CC[C@@H](NCC(C)(C)C[NH+](C)C)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000481928632 564527717 /nfs/dbraw/zinc/52/77/17/564527717.db2.gz AKNUUJHWESOAPW-OAHLLOKOSA-N 1 0 375.966 2.877 20 0 GFADRO O=C(NCC[NH2+]C1CC(c2ccc(Br)cc2)C1)c1cnccn1 ZINC000517271694 564530343 /nfs/dbraw/zinc/53/03/43/564530343.db2.gz MUWZMLIEMNCGKM-UHFFFAOYSA-N 1 0 375.270 2.505 20 0 GFADRO CSC1(CNC(=O)NCCOc2ccc(Cl)c(F)c2)CC[NH+](C)CC1 ZINC000454962457 564530419 /nfs/dbraw/zinc/53/04/19/564530419.db2.gz AEXSZRQCIOPOSC-UHFFFAOYSA-N 1 0 389.924 2.985 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)N1C[C@@H](C)N(CCO)[C@@H](C)C1 ZINC000454988111 564530727 /nfs/dbraw/zinc/53/07/27/564530727.db2.gz GXIFLRHBYIYNKY-BETUJISGSA-N 1 0 384.318 2.930 20 0 GFADRO O=C(NC[C@@H]1C[NH2+]CCCO1)Nc1ccc(Br)cc1C(F)(F)F ZINC000571027674 564532406 /nfs/dbraw/zinc/53/24/06/564532406.db2.gz DGQHGTMFVWFGHQ-JTQLQIEISA-N 1 0 396.207 2.968 20 0 GFADRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)Nc1ccc(Cl)c(S(C)(=O)=O)c1 ZINC000482077351 564533457 /nfs/dbraw/zinc/53/34/57/564533457.db2.gz FCMXHYZIEGRFJN-TZMCWYRMSA-N 1 0 385.917 2.834 20 0 GFADRO C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CC(=O)N(c3cc(Cl)cc(Cl)c3)C2)C1 ZINC000517457159 564534955 /nfs/dbraw/zinc/53/49/55/564534955.db2.gz YNXFCJPTTMWNLZ-STQMWFEESA-N 1 0 384.307 2.804 20 0 GFADRO CCOc1ccc(S(=O)(=O)N2CCCC[C@@H]2CC[NH3+])cc1Br ZINC000571087639 564535507 /nfs/dbraw/zinc/53/55/07/564535507.db2.gz CWNHSZYGTRZLIM-GFCCVEGCSA-N 1 0 391.331 2.740 20 0 GFADRO COCC[N@@H+]1CC[C@H](NC(=O)N[C@@H](c2ccc(Cl)cc2)C(F)(F)F)C1 ZINC000482331355 564540731 /nfs/dbraw/zinc/54/07/31/564540731.db2.gz JXAZVGQQQMWCQL-KBPBESRZSA-N 1 0 379.810 2.963 20 0 GFADRO CSC1(CNC(=O)Nc2c(C)c(C(F)(F)F)nn2C)CC[NH+](C)CC1 ZINC000571248270 564542960 /nfs/dbraw/zinc/54/29/60/564542960.db2.gz HVKDOAHNUOLJKY-UHFFFAOYSA-N 1 0 379.452 2.696 20 0 GFADRO COC1CC[NH+](C(C)(C)CNC(=O)Cc2ccccc2Br)CC1 ZINC000518082187 564546170 /nfs/dbraw/zinc/54/61/70/564546170.db2.gz HYCLLXCOMBLRCL-UHFFFAOYSA-N 1 0 383.330 2.997 20 0 GFADRO O=C1[C@@H]([NH2+]CC2(c3cccc(Br)c3)CCOCC2)CCN1C1CC1 ZINC000482649014 564547130 /nfs/dbraw/zinc/54/71/30/564547130.db2.gz PAPGBTSGEBBYRB-KRWDZBQOSA-N 1 0 393.325 2.850 20 0 GFADRO C[C@@H]([NH2+]CCN1CCSCC1)c1ccccc1I ZINC000482969075 564554211 /nfs/dbraw/zinc/55/42/11/564554211.db2.gz BUBBLUNUHXFMIJ-GFCCVEGCSA-N 1 0 376.307 2.991 20 0 GFADRO CCC[N@@H+]1CCC[C@@H]1C(=O)N(CCO)Cc1ccc(Br)s1 ZINC000482997783 564555573 /nfs/dbraw/zinc/55/55/73/564555573.db2.gz RGLUNLLBTZAGAD-CYBMUJFWSA-N 1 0 375.332 2.706 20 0 GFADRO C[C@]1(CNC(=O)[C@@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)CCC[NH2+]C1 ZINC000518532075 564556044 /nfs/dbraw/zinc/55/60/44/564556044.db2.gz SNEMRDKQOKAGCE-UGSOOPFHSA-N 1 0 384.307 2.852 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)Cc2ncc(I)s2)[C@@H](C)C1 ZINC000518617439 564557837 /nfs/dbraw/zinc/55/78/37/564557837.db2.gz PBGWGAQSGOUHDS-QWRGUYRKSA-N 1 0 379.311 2.910 20 0 GFADRO C[C@H]1CN(Cc2cc3c(cc2Br)OCCCO3)C[C@@]2(CCOC2)O1 ZINC000483182449 564559786 /nfs/dbraw/zinc/55/97/86/564559786.db2.gz MJCQPONONQQIPF-SCLBCKFNSA-N 1 0 398.297 2.990 20 0 GFADRO O=C(NC[C@H]1CCC[N@H+]1CCCO)Nc1ccc(Br)c(C2CC2)n1 ZINC000455622411 564560483 /nfs/dbraw/zinc/56/04/83/564560483.db2.gz LVEHTPYNBAVKPD-CYBMUJFWSA-N 1 0 397.317 2.690 20 0 GFADRO C[C@H]1CC[NH2+]C[C@@H]1NS(=O)(=O)c1ccc2ccccc2c1Br ZINC000571682095 564562048 /nfs/dbraw/zinc/56/20/48/564562048.db2.gz TUIZMAPFOZZHKR-FZMZJTMJSA-N 1 0 383.311 2.879 20 0 GFADRO [NH3+]C[C@@H]1CCCN(C(=O)Nc2ccc(-c3ccc(Br)s3)nn2)C1 ZINC000571743392 564564687 /nfs/dbraw/zinc/56/46/87/564564687.db2.gz GTMUWVWJTGBYFI-JTQLQIEISA-N 1 0 396.314 3.170 20 0 GFADRO COc1cc(OC)c(S(=O)(=O)N[C@@H](C)C[NH+]2CCC(C)CC2)cc1Cl ZINC000571777189 564566315 /nfs/dbraw/zinc/56/63/15/564566315.db2.gz UZQWBLLPFIZLBR-ZDUSSCGKSA-N 1 0 390.933 2.756 20 0 GFADRO C[C@H]([NH2+]CC[C@H]1CCNC1=O)c1nc(-c2ccc(Br)cc2)no1 ZINC000571773065 564566354 /nfs/dbraw/zinc/56/63/54/564566354.db2.gz YBWIGARYYHFKFD-JQWIXIFHSA-N 1 0 379.258 2.676 20 0 GFADRO O=C([C@H](c1ccc(Br)cc1)N1CCCC1)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000571797572 564567359 /nfs/dbraw/zinc/56/73/59/564567359.db2.gz XGLJQYUFKVOEIO-JZXOWHBKSA-N 1 0 392.341 2.654 20 0 GFADRO O=C([C@@H]1CCN(c2cc(Cl)ccc2Cl)C1=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000571803128 564567424 /nfs/dbraw/zinc/56/74/24/564567424.db2.gz SNOFBMVVFDFXBU-UONOGXRCSA-N 1 0 382.291 2.699 20 0 GFADRO Cc1ccc(F)c(Br)c1NC(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000455742123 564567894 /nfs/dbraw/zinc/56/78/94/564567894.db2.gz BKNKREVTJYJLMF-UHFFFAOYSA-N 1 0 384.253 3.299 20 0 GFADRO O=C1CCCN1[C@H]1CC[N@@H+](Cc2cnn(-c3ccc(Br)cc3)c2)C1 ZINC000483444170 564568299 /nfs/dbraw/zinc/56/82/99/564568299.db2.gz XSJCYJIRVWZHQK-KRWDZBQOSA-N 1 0 389.297 2.832 20 0 GFADRO CC[NH+](CC)C[C@@H](C)NC(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000519062259 564568610 /nfs/dbraw/zinc/56/86/10/564568610.db2.gz FOPRMHQZSHHLFY-KGLIPLIRSA-N 1 0 396.329 2.649 20 0 GFADRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)Nc1cc(Cl)c(Cl)cc1OC ZINC000483552580 564570243 /nfs/dbraw/zinc/57/02/43/564570243.db2.gz OBQDFHYIVKVAJZ-SNVBAGLBSA-N 1 0 376.284 2.787 20 0 GFADRO Cc1cc(N2CC[C@H](NC(=O)CCCC[NH+](C)C)C2=O)ccc1Br ZINC000571870330 564570726 /nfs/dbraw/zinc/57/07/26/564570726.db2.gz GZFPXZTYYOWQSH-INIZCTEOSA-N 1 0 396.329 2.711 20 0 GFADRO C[N@H+](CCNC(=O)[C@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1)C1CC1 ZINC000519187603 564571088 /nfs/dbraw/zinc/57/10/88/564571088.db2.gz WAZQLTJPHGFJRC-MRXNPFEDSA-N 1 0 384.307 2.808 20 0 GFADRO Cc1nc(-c2ccc(CCNC(=O)N3C[C@H]4CC[NH2+]C[C@H]4C3)s2)cs1 ZINC000571893600 564571700 /nfs/dbraw/zinc/57/17/00/564571700.db2.gz RYGDAIAHZGYQJR-KGLIPLIRSA-N 1 0 376.551 2.973 20 0 GFADRO CC[NH+](CC)CCN(C(=O)[C@@H]1C[C@@]12CCOC2)c1ccc(Br)cn1 ZINC000571926802 564572858 /nfs/dbraw/zinc/57/28/58/564572858.db2.gz FQUZMWWJMMZTJW-MAUKXSAKSA-N 1 0 396.329 2.946 20 0 GFADRO CC[NH+](CC)CCOC1CCN(C(=O)c2ncsc2Br)CC1 ZINC000571951355 564573642 /nfs/dbraw/zinc/57/36/42/564573642.db2.gz PIUGKWWCLDUOAP-UHFFFAOYSA-N 1 0 390.347 2.869 20 0 GFADRO CN(C)C(=O)C1(C[NH2+]C[C@@H](O)COc2ccc(Cl)cc2Cl)CCCC1 ZINC000519387303 564576290 /nfs/dbraw/zinc/57/62/90/564576290.db2.gz ABXUDNPHJUZHAV-CQSZACIVSA-N 1 0 389.323 2.971 20 0 GFADRO CC[C@@H]1C[C@@H]([NH2+]C[C@@H](O)COc2cc(F)cc(Br)c2)CCO1 ZINC000571994511 564576329 /nfs/dbraw/zinc/57/63/29/564576329.db2.gz UXVAVWMLOMAGRZ-RRFJBIMHSA-N 1 0 376.266 2.875 20 0 GFADRO Cc1ccc(-c2csc(NC(=O)C(=O)NCC[N@H+]3CC[C@@H](C)C3)n2)s1 ZINC000548815637 564576601 /nfs/dbraw/zinc/57/66/01/564576601.db2.gz CWPBPVWTTXXRIF-LLVKDONJSA-N 1 0 378.523 2.577 20 0 GFADRO COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)N1CCC[N@@H+](C(C)C)CC1 ZINC000483905094 564577327 /nfs/dbraw/zinc/57/73/27/564577327.db2.gz AKIBFBSGISLCEW-UHFFFAOYSA-N 1 0 388.295 2.883 20 0 GFADRO Cc1cc(Br)cc(Cl)c1NC(=O)C(=O)N[C@@H](C)CC[NH+](C)C ZINC000519465536 564577641 /nfs/dbraw/zinc/57/76/41/564577641.db2.gz NPZJPFBKHTUDIQ-JTQLQIEISA-N 1 0 390.709 2.806 20 0 GFADRO O=C(C[NH2+][C@H](CO)C1CCOCC1)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000519458618 564577995 /nfs/dbraw/zinc/57/79/95/564577995.db2.gz OQFNYAKXVOJASP-CQSZACIVSA-N 1 0 380.794 2.674 20 0 GFADRO COCCOc1ccc(Br)cc1NC(=O)[C@H]1CC12CC[NH2+]CC2 ZINC000572040553 564578652 /nfs/dbraw/zinc/57/86/52/564578652.db2.gz FTVMSFLCCKOXDU-CYBMUJFWSA-N 1 0 383.286 2.803 20 0 GFADRO O=S(=O)(c1ccc(C(F)(F)F)cc1Cl)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000519545147 564580868 /nfs/dbraw/zinc/58/08/68/564580868.db2.gz SHKNIDQZLJUPRS-PHIMTYICSA-N 1 0 382.835 2.979 20 0 GFADRO COc1ccc(Br)cc1C[C@H](CO)C[NH2+]Cc1nc(C)c(C)[nH]1 ZINC000572135709 564582425 /nfs/dbraw/zinc/58/24/25/564582425.db2.gz JIYSEHDBUYKWJI-ZDUSSCGKSA-N 1 0 382.302 2.738 20 0 GFADRO C[C@H](NC(=O)NCc1nn(C)cc1Br)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000519584771 564582650 /nfs/dbraw/zinc/58/26/50/564582650.db2.gz LVTIMZKHKGVXDP-STQMWFEESA-N 1 0 398.349 2.635 20 0 GFADRO CCN(CCC[NH+]1CCCC1)C(=O)c1ccc(I)cn1 ZINC000456018740 564584325 /nfs/dbraw/zinc/58/43/25/564584325.db2.gz FKBXKKFMVYDCQB-UHFFFAOYSA-N 1 0 387.265 2.634 20 0 GFADRO Cc1ccc(CC[NH2+]CCS(=O)(=O)c2cccc(Br)c2)nc1 ZINC000519637694 564585485 /nfs/dbraw/zinc/58/54/85/564585485.db2.gz RFEKDFNNRSGODA-UHFFFAOYSA-N 1 0 383.311 2.759 20 0 GFADRO OC[C@H](C[NH2+]C[C@H](O)Cc1ccc(F)cc1)Cc1ccc(Br)cc1 ZINC000519645541 564585540 /nfs/dbraw/zinc/58/55/40/564585540.db2.gz BRFHIFJDZDBAHZ-QFBILLFUSA-N 1 0 396.300 2.932 20 0 GFADRO CNS(=O)(=O)CCC[NH2+][C@@](C)(c1ccc(Br)cc1)C(C)C ZINC000484325182 564586587 /nfs/dbraw/zinc/58/65/87/564586587.db2.gz BFHCBKPHHWQSJR-OAHLLOKOSA-N 1 0 377.348 2.849 20 0 GFADRO CCCN(CC[NH+](CC)CC)C(=O)c1ccc(I)cn1 ZINC000456063164 564586713 /nfs/dbraw/zinc/58/67/13/564586713.db2.gz JAGUXNLAYYJYEP-UHFFFAOYSA-N 1 0 389.281 2.880 20 0 GFADRO C[C@@H]1C[NH2+][C@@H](C)CN1S(=O)(=O)c1ccc2ccccc2c1Br ZINC000572284851 564587806 /nfs/dbraw/zinc/58/78/06/564587806.db2.gz HPFPUFNUMRENES-NWDGAFQWSA-N 1 0 383.311 2.973 20 0 GFADRO CCOCCOc1ccc(Br)cc1CN1CC[NH2+]C[C@@](C)(F)C1 ZINC000572285959 564587954 /nfs/dbraw/zinc/58/79/54/564587954.db2.gz NASKZVABFGMBHH-QGZVFWFLSA-N 1 0 389.309 2.998 20 0 GFADRO C[NH+](C)CCn1ccc(C(=O)NCCc2nc3cc(Cl)ccc3s2)n1 ZINC000519780230 564590453 /nfs/dbraw/zinc/59/04/53/564590453.db2.gz RDVLFMZWWBNEGN-UHFFFAOYSA-N 1 0 377.901 2.680 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(C(=O)C3(c4ccc(Br)cc4)CCOCC3)C[C@@H]21 ZINC000456168977 564591864 /nfs/dbraw/zinc/59/18/64/564591864.db2.gz OZNOJWKYIOMGQL-PBHICJAKSA-N 1 0 393.325 2.660 20 0 GFADRO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1cccc(Br)c1Cl ZINC000549311849 564592413 /nfs/dbraw/zinc/59/24/13/564592413.db2.gz NWVODHJXKYRZMG-SNVBAGLBSA-N 1 0 390.709 2.888 20 0 GFADRO CS[C@@H]1CN([C@@H]2CCN(c3ccccc3Cl)C2=O)C[C@H]1[NH+]1CCCC1 ZINC000484631744 564592665 /nfs/dbraw/zinc/59/26/65/564592665.db2.gz JDKICUUWNIMSDS-KZNAEPCWSA-N 1 0 379.957 2.957 20 0 GFADRO CCn1c(-c2cc(Br)cn2C)nnc1N1CC[NH+](CC2CC2)CC1 ZINC000549444957 564595112 /nfs/dbraw/zinc/59/51/12/564595112.db2.gz WSXKWAUZUHWKGY-UHFFFAOYSA-N 1 0 393.333 2.598 20 0 GFADRO CC[C@H]1C[N@H+](CC)CCN1C(=O)[C@H](C)NC(=O)c1ccc(Br)cc1 ZINC000456352473 564601492 /nfs/dbraw/zinc/60/14/92/564601492.db2.gz NFQAIPMAEMOKPE-BBRMVZONSA-N 1 0 396.329 2.510 20 0 GFADRO C[C@@H](C[NH+](C)C)NC(=O)NC[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000484919676 564601974 /nfs/dbraw/zinc/60/19/74/564601974.db2.gz VDOBHYYKQKNXPM-UONOGXRCSA-N 1 0 383.334 2.525 20 0 GFADRO O=S(=O)(CC[NH2+]Cc1ccc(Cl)c(Cl)c1)NC[C@H]1CCCCO1 ZINC000520389392 564602343 /nfs/dbraw/zinc/60/23/43/564602343.db2.gz QDQCWTQJEGQZKK-CYBMUJFWSA-N 1 0 381.325 2.572 20 0 GFADRO O=S(=O)(CC[NH2+]Cc1ccc(Cl)c(Cl)c1)NC[C@@H]1CCCCO1 ZINC000520389398 564602583 /nfs/dbraw/zinc/60/25/83/564602583.db2.gz QDQCWTQJEGQZKK-ZDUSSCGKSA-N 1 0 381.325 2.572 20 0 GFADRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1csc(I)c1 ZINC000520349568 564602709 /nfs/dbraw/zinc/60/27/09/564602709.db2.gz DHILBCQDLFZICV-LLVKDONJSA-N 1 0 378.279 2.957 20 0 GFADRO C[C@@H]1CCO[C@@H]1C(=O)Nc1cc(Br)ccc1N1CC[N@H+](C)C[C@@H]1C ZINC000456373072 564603280 /nfs/dbraw/zinc/60/32/80/564603280.db2.gz OYDYMAXDSUBOBS-IGCXYCKISA-N 1 0 396.329 2.953 20 0 GFADRO Cc1c(C[NH2+]C[C@H](O)COc2ccc(Cl)cc2Br)cnn1C ZINC000520398200 564603356 /nfs/dbraw/zinc/60/33/56/564603356.db2.gz VDYINGSJEAQEGY-ZDUSSCGKSA-N 1 0 388.693 2.674 20 0 GFADRO CO[C@@H]1CCN(Cc2ccnc(-c3ccc(Br)cc3)n2)[C@@H](C[NH3+])C1 ZINC000520407885 564603924 /nfs/dbraw/zinc/60/39/24/564603924.db2.gz WZIAKJCSMFYAPD-IAGOWNOFSA-N 1 0 391.313 2.844 20 0 GFADRO Cc1nc(NC(=O)N2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)sc1C(F)(F)F ZINC000572664711 564604150 /nfs/dbraw/zinc/60/41/50/564604150.db2.gz QIPDHSQNZXBEFW-VIFPVBQESA-N 1 0 380.436 2.779 20 0 GFADRO C[N@@H+]1CCCN(CCC[NH2+][C@@H]2CCc3cccc(Br)c3C2)CC1 ZINC000549733433 564604228 /nfs/dbraw/zinc/60/42/28/564604228.db2.gz FCQABCNKKQSUSE-QGZVFWFLSA-N 1 0 380.374 2.924 20 0 GFADRO O=C(NCC[C@H]1CCC[NH2+]1)Nc1ccc(I)cc1F ZINC000572663833 564604725 /nfs/dbraw/zinc/60/47/25/564604725.db2.gz XMPZWEPKCDHZLE-SNVBAGLBSA-N 1 0 377.201 2.694 20 0 GFADRO CSC1(CNS(=O)(=O)Cc2ccc(C(F)F)cc2)CC[NH+](C)CC1 ZINC000549850186 564606672 /nfs/dbraw/zinc/60/66/72/564606672.db2.gz PKPWJUBOJILLDP-UHFFFAOYSA-N 1 0 378.510 2.871 20 0 GFADRO CSCc1cnc(C[NH2+]C2CCN(S(=O)(=O)C(C)(C)C)CC2)s1 ZINC000549818812 564606768 /nfs/dbraw/zinc/60/67/68/564606768.db2.gz SOOVJMLXGXPWGQ-UHFFFAOYSA-N 1 0 377.601 2.688 20 0 GFADRO C[NH+](C)CCOC1CCN(C(=O)CCc2ccccc2Br)CC1 ZINC000485117224 564607664 /nfs/dbraw/zinc/60/76/64/564607664.db2.gz NRYRHOBSVMQYSY-UHFFFAOYSA-N 1 0 383.330 2.951 20 0 GFADRO CCO[C@@H]1C[C@H]([NH2+]Cc2cc(Br)c(O)c(OC)c2)[C@@H]1n1cccn1 ZINC000549939381 564609695 /nfs/dbraw/zinc/60/96/95/564609695.db2.gz MDXFZAXKJWISBL-LZWOXQAQSA-N 1 0 396.285 2.868 20 0 GFADRO C[C@H](NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1)c1cc(F)c(Cl)cc1Cl ZINC000550031343 564613329 /nfs/dbraw/zinc/61/33/29/564613329.db2.gz SOBIQZQECDTHKM-VHSXEESVSA-N 1 0 388.270 2.663 20 0 GFADRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)CNC(=O)c1ccc(Cl)cc1Cl ZINC000572909386 564615483 /nfs/dbraw/zinc/61/54/83/564615483.db2.gz PHPNFPNMENZYDH-WBMJQRKESA-N 1 0 384.307 2.808 20 0 GFADRO OC[C@]1([C@H]([NH2+]C[C@H](O)COc2cc(Cl)ccc2Cl)C2CC2)CCCO1 ZINC000550141236 564616108 /nfs/dbraw/zinc/61/61/08/564616108.db2.gz QUAUVPDNKYWYRJ-QGTPRVQTSA-N 1 0 390.307 2.643 20 0 GFADRO COCC[C@@]1([NH2+]CC(=O)N(C)Cc2ccc(Cl)c(Cl)c2)CCOC1 ZINC000520960438 564616831 /nfs/dbraw/zinc/61/68/31/564616831.db2.gz WKXDUWCJTAUNQA-QGZVFWFLSA-N 1 0 375.296 2.737 20 0 GFADRO CS[C@@H]1CN(C(=O)Cc2ccc(F)cc2Br)C[C@H]1[NH+](C)C ZINC000485497818 564618002 /nfs/dbraw/zinc/61/80/02/564618002.db2.gz VKVCQZHIJYZRNT-ZIAGYGMSSA-N 1 0 375.307 2.635 20 0 GFADRO O[C@@H](CCc1ccccc1)C[NH2+]C[C@H](O)COc1ccccc1Br ZINC000521044213 564618074 /nfs/dbraw/zinc/61/80/74/564618074.db2.gz UAQFGLOGGBOHKI-IRXDYDNUSA-N 1 0 394.309 2.772 20 0 GFADRO C[N@@H+]1CCC[C@@]2(CCN([C@@H]3CCN(c4cccc(Br)c4)C3=O)C2)C1 ZINC000550238106 564618121 /nfs/dbraw/zinc/61/81/21/564618121.db2.gz RSCJHNMLJKYJGI-IEBWSBKVSA-N 1 0 392.341 2.972 20 0 GFADRO O=C(NCc1ccc(Cl)cc1Cl)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000550301629 564619566 /nfs/dbraw/zinc/61/95/66/564619566.db2.gz VHZLOAQXHJFCQD-ZDUSSCGKSA-N 1 0 384.307 2.554 20 0 GFADRO C[C@H](CCCOc1ccccc1C(N)=O)[NH2+]CCn1cc(Br)cn1 ZINC000521114571 564620022 /nfs/dbraw/zinc/62/00/22/564620022.db2.gz GCMPPXOAMPDDDI-CYBMUJFWSA-N 1 0 395.301 2.582 20 0 GFADRO CN(C)c1cc(Br)cc(C(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)c1 ZINC000550326530 564620903 /nfs/dbraw/zinc/62/09/03/564620903.db2.gz HIMIRORJQSHHTH-KRWDZBQOSA-N 1 0 398.345 2.698 20 0 GFADRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(OC)c(O)cc2Br)[C@H]1n1cccn1 ZINC000550327266 564621107 /nfs/dbraw/zinc/62/11/07/564621107.db2.gz TYJLVXAHTRTRBL-KBRIMQKVSA-N 1 0 396.285 2.868 20 0 GFADRO C[C@@H]1CN(CCO)CCN1C(=O)Nc1cccnc1-c1ccc(Cl)s1 ZINC000573076509 564621858 /nfs/dbraw/zinc/62/18/58/564621858.db2.gz IVXLTGUOFALZOK-GFCCVEGCSA-N 1 0 380.901 2.994 20 0 GFADRO COc1ccc([C@@H]([NH2+]CCCNS(C)(=O)=O)C(C)C)c(Br)c1 ZINC000573143519 564624211 /nfs/dbraw/zinc/62/42/11/564624211.db2.gz OPTNYNVKYCDRLH-HNNXBMFYSA-N 1 0 393.347 2.684 20 0 GFADRO CC1CC[NH+](CCNS(=O)(=O)Cc2cccc(Br)c2)CC1 ZINC000550431938 564624202 /nfs/dbraw/zinc/62/42/02/564624202.db2.gz MJKZYFRTJGTRHC-UHFFFAOYSA-N 1 0 375.332 2.600 20 0 GFADRO O=C1CCN(C[C@@H](O)COc2cc(F)cc(Br)c2)C2(CCC2)C1 ZINC000521366223 564625209 /nfs/dbraw/zinc/62/52/09/564625209.db2.gz HNVDDEQMTXOITD-OAHLLOKOSA-N 1 0 386.261 2.916 20 0 GFADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)Nc1c(C)cc(Br)cc1C ZINC000521382519 564626813 /nfs/dbraw/zinc/62/68/13/564626813.db2.gz HDSHHWTVMZSHBY-ZDUSSCGKSA-N 1 0 384.318 2.851 20 0 GFADRO O=C(c1cn(C[C@@H]2CCC[NH2+]2)nn1)N1CCc2c(Cl)c(Cl)ccc2C1 ZINC000521430008 564627822 /nfs/dbraw/zinc/62/78/22/564627822.db2.gz FTBKKFGERIRIMP-LBPRGKRZSA-N 1 0 380.279 2.535 20 0 GFADRO O=C(CCN1CCO[C@H](COCC2CC2)C1)Nc1ccccc1Br ZINC000485875666 564628976 /nfs/dbraw/zinc/62/89/76/564628976.db2.gz ZPLLARSPQBTSJM-HNNXBMFYSA-N 1 0 397.313 2.905 20 0 GFADRO C[C@@H](NC(=O)CN(C)[C@@H](C)C(=O)NC(C)(C)C)c1ccc(Br)cc1 ZINC000485882200 564629265 /nfs/dbraw/zinc/62/92/65/564629265.db2.gz PFCAOMJMKAKNAG-OLZOCXBDSA-N 1 0 398.345 2.861 20 0 GFADRO COC1(C[NH2+]CCS(=O)(=O)c2cccc(Br)c2)CCCC1 ZINC000573238249 564629293 /nfs/dbraw/zinc/62/92/93/564629293.db2.gz WPUOYLFYKMBCCN-UHFFFAOYSA-N 1 0 376.316 2.772 20 0 GFADRO Cn1c(SCC(=O)N2CCCC[C@@H]2C[NH+](C)C)nnc1-c1cccs1 ZINC000521518882 564629354 /nfs/dbraw/zinc/62/93/54/564629354.db2.gz STHBHDKNMPVODQ-CYBMUJFWSA-N 1 0 379.555 2.578 20 0 GFADRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)Cc1csc(NC(=O)c2cccs2)n1 ZINC000521606940 564631174 /nfs/dbraw/zinc/63/11/74/564631174.db2.gz MUPZQYNOCUFPBV-ZDUSSCGKSA-N 1 0 378.523 2.552 20 0 GFADRO Cc1c(Br)cccc1C[C@H](CO)CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC000456736598 564631643 /nfs/dbraw/zinc/63/16/43/564631643.db2.gz XDZNCGKWHJZCDM-YOEHRIQHSA-N 1 0 385.346 2.611 20 0 GFADRO C[C@H](CNC(=O)N[C@@H](C)c1ncc(Br)cn1)[N@@H+]1CCC[C@@H](C)C1 ZINC000573307382 564632144 /nfs/dbraw/zinc/63/21/44/564632144.db2.gz NCAXYOCYDVAVBH-UPJWGTAASA-N 1 0 384.322 2.720 20 0 GFADRO CC(C)(CO)CCC[NH2+]CCS(=O)(=O)c1cccc(Br)c1 ZINC000573359418 564634852 /nfs/dbraw/zinc/63/48/52/564634852.db2.gz VWFRIWQJMVFVIX-UHFFFAOYSA-N 1 0 378.332 2.611 20 0 GFADRO Cc1ccc(C(=O)N2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)cc1Br ZINC000486017197 564635900 /nfs/dbraw/zinc/63/59/00/564635900.db2.gz ORSWYFLGXFMQAI-CRAIPNDOSA-N 1 0 394.357 2.856 20 0 GFADRO O=C(NCC[NH2+][C@H]1COc2ccccc2C1)c1cccc(Br)c1 ZINC000551085312 564636833 /nfs/dbraw/zinc/63/68/33/564636833.db2.gz ACSNTPWVNLQNMX-MRXNPFEDSA-N 1 0 375.266 2.772 20 0 GFADRO CS(=O)(=O)CC1CCC([NH2+][C@@H]2CC(=O)N(c3ccccc3Cl)C2)CC1 ZINC000551087712 564636871 /nfs/dbraw/zinc/63/68/71/564636871.db2.gz YOAVCQHNDUUYTR-YMAMQOFZSA-N 1 0 384.929 2.638 20 0 GFADRO CS(=O)(=O)CC1CCC([NH2+][C@H]2CC(=O)N(c3ccccc3Cl)C2)CC1 ZINC000551087711 564637262 /nfs/dbraw/zinc/63/72/62/564637262.db2.gz YOAVCQHNDUUYTR-NRXISQOPSA-N 1 0 384.929 2.638 20 0 GFADRO COCCC[N@H+](C)CCNC(=O)C1(Cc2ccccc2Br)CC1 ZINC000551094535 564637355 /nfs/dbraw/zinc/63/73/55/564637355.db2.gz ZTAFLKZXLPPZCQ-UHFFFAOYSA-N 1 0 383.330 2.856 20 0 GFADRO CC[NH+]1CCN(CC(C)(C)NC(=O)c2cc(Br)ccc2F)CC1 ZINC000456892315 564637420 /nfs/dbraw/zinc/63/74/20/564637420.db2.gz FSMLDGIXQPIMQI-UHFFFAOYSA-N 1 0 386.309 2.734 20 0 GFADRO O=C(COC1CC[NH2+]CC1)N1CCO[C@@H](c2cc(F)c(Cl)cc2Cl)C1 ZINC000521859080 564637716 /nfs/dbraw/zinc/63/77/16/564637716.db2.gz YUCNFVLOYZVLBJ-MRXNPFEDSA-N 1 0 391.270 2.801 20 0 GFADRO O=C(NCCOc1ccc(Br)cc1)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000573428446 564637766 /nfs/dbraw/zinc/63/77/66/564637766.db2.gz IBGRCQHDGYFBGB-VNHYZAJKSA-N 1 0 382.302 2.515 20 0 GFADRO CCC[N@H+](CC)C[C@H](C)NS(=O)(=O)c1ccc(Cl)cc1C(=O)OC ZINC000521944457 564639237 /nfs/dbraw/zinc/63/92/37/564639237.db2.gz ZYBZTEVIUONLAL-LBPRGKRZSA-N 1 0 376.906 2.525 20 0 GFADRO C[C@H]1C[C@H](NS(=O)(=O)c2cccc(Br)c2Cl)CC[N@@H+]1C ZINC000551161463 564640447 /nfs/dbraw/zinc/64/04/47/564640447.db2.gz YSNCBGLBVWQLQN-VHSXEESVSA-N 1 0 381.723 2.864 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)N1CCO[C@]2(CCSC2)C1)c1ccc(Cl)cc1 ZINC000573485152 564640807 /nfs/dbraw/zinc/64/08/07/564640807.db2.gz ZSCUMRCTLOCCEX-FUHWJXTLSA-N 1 0 383.945 2.860 20 0 GFADRO CN(C(=O)C[NH2+]C[C@@H](O)COc1ccc(Br)cc1)C1CCCCC1 ZINC000573478314 564640854 /nfs/dbraw/zinc/64/08/54/564640854.db2.gz OQLHQEVJGLCXKO-MRXNPFEDSA-N 1 0 399.329 2.570 20 0 GFADRO Cc1ccc(Br)cc1NCC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000486148087 564641213 /nfs/dbraw/zinc/64/12/13/564641213.db2.gz JXDZXQJXJLDOMH-INIZCTEOSA-N 1 0 398.345 2.642 20 0 GFADRO CCCN(CC)CC[NH2+]CCS(=O)(=O)c1cccc(Br)c1 ZINC000521994855 564641809 /nfs/dbraw/zinc/64/18/09/564641809.db2.gz IJKOKRACFVOVEP-UHFFFAOYSA-N 1 0 377.348 2.544 20 0 GFADRO C[C@H](NC(=O)c1ccc(Br)cc1)C(=O)NC(C)(C)C[NH+]1CCCC1 ZINC000457032659 564643939 /nfs/dbraw/zinc/64/39/39/564643939.db2.gz NDPMIKZJZBGKIL-ZDUSSCGKSA-N 1 0 396.329 2.558 20 0 GFADRO CN(C(=O)c1nn(C)cc1Br)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457067743 564645272 /nfs/dbraw/zinc/64/52/72/564645272.db2.gz LEKORFMELPZZLO-UHFFFAOYSA-N 1 0 397.239 2.671 20 0 GFADRO Cc1cc(Br)cc(NC(=O)C(=O)NCC[N@H+]2CCCC[C@H]2C)c1 ZINC000486377281 564649702 /nfs/dbraw/zinc/64/97/02/564649702.db2.gz VVAWUCLZOZJDCL-CYBMUJFWSA-N 1 0 382.302 2.687 20 0 GFADRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)c1cc(I)c[nH]1 ZINC000522414137 564650868 /nfs/dbraw/zinc/65/08/68/564650868.db2.gz COESXRNGIUFYBT-GHMZBOCLSA-N 1 0 375.254 2.612 20 0 GFADRO OCC[N@@H+](Cc1cccc(Br)c1)C[C@@H](O)Cc1ccc(F)cc1 ZINC000573702337 564650527 /nfs/dbraw/zinc/65/05/27/564650527.db2.gz HUKNZTXTHDYIJH-SFHVURJKSA-N 1 0 382.273 2.986 20 0 GFADRO C[N@H+](CCCCNC(=O)[C@@H]1CC(=O)Nc2ccc(Br)cc21)C1CC1 ZINC000457167685 564650534 /nfs/dbraw/zinc/65/05/34/564650534.db2.gz MNCZREAHMZQPIU-OAHLLOKOSA-N 1 0 394.313 2.866 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1Br ZINC000486384868 564650902 /nfs/dbraw/zinc/65/09/02/564650902.db2.gz YUCQCAOKMQNORL-HOCLYGCPSA-N 1 0 394.313 2.747 20 0 GFADRO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)Nc1cc(Br)cnc1OCC(F)(F)F ZINC000486456533 564653347 /nfs/dbraw/zinc/65/33/47/564653347.db2.gz DNTKKWPEGMFFKR-SCZZXKLOSA-N 1 0 396.207 2.921 20 0 GFADRO O=C(N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)N[C@H]1CCOc2c(Br)cccc21 ZINC000573786337 564654337 /nfs/dbraw/zinc/65/43/37/564654337.db2.gz YGZHBHOEWRKZRL-JXFSHQFZSA-N 1 0 394.313 2.960 20 0 GFADRO C[NH+](C)CCOC1CCN(C(=O)NCCc2ccc(Br)cc2)CC1 ZINC000522698739 564654739 /nfs/dbraw/zinc/65/47/39/564654739.db2.gz HOHBOSDLDIPQAO-UHFFFAOYSA-N 1 0 398.345 2.744 20 0 GFADRO C[C@@H]([NH2+]CC1(O)CCS(=O)(=O)CC1)c1ccc(SCC(F)(F)F)cc1 ZINC000551563303 564655385 /nfs/dbraw/zinc/65/53/85/564655385.db2.gz FNRKSCCLUNKUTL-GFCCVEGCSA-N 1 0 397.484 2.931 20 0 GFADRO CC[NH+]1CCN(CCC(=O)N2CCC[C@H]2c2ccc(Br)cn2)CC1 ZINC000457330216 564656925 /nfs/dbraw/zinc/65/69/25/564656925.db2.gz PGSCBXJBKDEJPS-KRWDZBQOSA-N 1 0 395.345 2.535 20 0 GFADRO C[C@@H]1[C@H]([NH3+])CCCN1C(=O)[C@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1 ZINC000457358982 564658502 /nfs/dbraw/zinc/65/85/02/564658502.db2.gz PIMWLYZKOAFVCP-HFBAOOFYSA-N 1 0 384.307 2.936 20 0 GFADRO C[NH+](C)CC(C)(C)CNC(=O)c1cn(Cc2ccc(Cl)cc2Cl)nn1 ZINC000457388902 564659338 /nfs/dbraw/zinc/65/93/38/564659338.db2.gz MLQCLELKBWAUAS-UHFFFAOYSA-N 1 0 384.311 2.951 20 0 GFADRO Cn1ccnc1Sc1ncc(C(=O)N[C@@H](C[NH3+])C2CCCC2)cc1Cl ZINC000573919354 564659445 /nfs/dbraw/zinc/65/94/45/564659445.db2.gz HENLHYFXDURIGW-AWEZNQCLSA-N 1 0 379.917 2.867 20 0 GFADRO CC[N@@H+]1CCC[C@H](NC(=O)c2cnc(Sc3nccn3C)c(Cl)c2)C1 ZINC000523116664 564661952 /nfs/dbraw/zinc/66/19/52/564661952.db2.gz XGTLVUSKOBIGBO-ZDUSSCGKSA-N 1 0 379.917 2.834 20 0 GFADRO C[C@@H]([NH2+]CC1(O)CCS(=O)(=O)CC1)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000551813557 564664516 /nfs/dbraw/zinc/66/45/16/564664516.db2.gz WFBYIBNGXHGFLY-NEPJUHHUSA-N 1 0 396.336 2.679 20 0 GFADRO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)Nc1nccn1Cc1ccc(Br)cc1 ZINC000486724853 564664877 /nfs/dbraw/zinc/66/48/77/564664877.db2.gz XAUWJBBJEUQDCT-IUODEOHRSA-N 1 0 377.286 2.830 20 0 GFADRO CC(C)C[C@H](NC(=O)c1cc2cc(Cl)sc2[nH]1)C(=O)NCC[NH+](C)C ZINC000486791651 564666542 /nfs/dbraw/zinc/66/65/42/564666542.db2.gz OGDSOJLKRWJCAH-LBPRGKRZSA-N 1 0 384.933 2.705 20 0 GFADRO COCC[N@@H+]1CC[C@@H](NC(=O)N2CCSC[C@H]2c2ccc(Cl)cc2)C1 ZINC000523428710 564666570 /nfs/dbraw/zinc/66/65/70/564666570.db2.gz YUNYBJNWBRDOBQ-SJORKVTESA-N 1 0 383.945 2.860 20 0 GFADRO COCC[N@@H+]1CC[C@@H](NC(=O)NC2(c3cccc(Br)c3)CCC2)C1 ZINC000523430158 564667467 /nfs/dbraw/zinc/66/74/67/564667467.db2.gz SDAYEFFTZRFCMO-MRXNPFEDSA-N 1 0 396.329 2.848 20 0 GFADRO O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)c1cc(Br)co1 ZINC000457681115 564669509 /nfs/dbraw/zinc/66/95/09/564669509.db2.gz HQKRSEMYATUAPZ-HOCLYGCPSA-N 1 0 393.281 2.655 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCC(=O)N(C)[C@H]1c1ccnn1C)c1ccc(Br)cn1 ZINC000551935081 564670101 /nfs/dbraw/zinc/67/01/01/564670101.db2.gz AXEWVCWYQKRUAO-FABXCBLPSA-N 1 0 392.301 2.590 20 0 GFADRO C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1CCN(CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000486905009 564670198 /nfs/dbraw/zinc/67/01/98/564670198.db2.gz BGOVRLMIUIVXMT-GOEBONIOSA-N 1 0 384.351 2.878 20 0 GFADRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)c1c(O)cnc2c(Br)cccc21 ZINC000486946180 564670679 /nfs/dbraw/zinc/67/06/79/564670679.db2.gz YEFMQFKPLPYROX-WDEREUQCSA-N 1 0 378.270 2.868 20 0 GFADRO O=C(NCc1nc2c(cccc2Br)[nH]1)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000457775962 564672254 /nfs/dbraw/zinc/67/22/54/564672254.db2.gz AHSVQYBCWQQMGA-VXGBXAGGSA-N 1 0 392.301 2.751 20 0 GFADRO CC(=O)c1cc(Br)ccc1OCC(=O)N1CCCC[C@@H]1C[NH+](C)C ZINC000552001719 564672454 /nfs/dbraw/zinc/67/24/54/564672454.db2.gz LDFUDRNIEBVFDF-OAHLLOKOSA-N 1 0 397.313 2.973 20 0 GFADRO C[C@@H]1CCC[C@@](CNC(=O)c2cc(I)c[nH]2)([NH+](C)C)C1 ZINC000523744144 564672938 /nfs/dbraw/zinc/67/29/38/564672938.db2.gz MNGBQHVDNNVOAS-IAQYHMDHSA-N 1 0 389.281 2.860 20 0 GFADRO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CCO[C@H](c2ccc(F)c(Br)c2)C1 ZINC000487048063 564673649 /nfs/dbraw/zinc/67/36/49/564673649.db2.gz QIAMEIKYRNWIRJ-KFNAQCHYSA-N 1 0 385.277 2.686 20 0 GFADRO Cc1c(Br)cccc1S(=O)(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000487118850 564676389 /nfs/dbraw/zinc/67/63/89/564676389.db2.gz MNHFDOWSVJHMBH-QWHCGFSZSA-N 1 0 375.332 2.909 20 0 GFADRO CC[NH+](CC)CCS(=O)(=O)N(C)Cc1cc(Br)ccc1OC ZINC000574526785 564677373 /nfs/dbraw/zinc/67/73/73/564677373.db2.gz JXXPZTPQBFVQPB-UHFFFAOYSA-N 1 0 393.347 2.561 20 0 GFADRO Cc1ccccc1[C@H]([NH3+])C(=O)N1CCN(c2ccc(Br)cn2)CC1 ZINC000574514832 564677458 /nfs/dbraw/zinc/67/74/58/564677458.db2.gz OQAIEQYANRPYNI-KRWDZBQOSA-N 1 0 389.297 2.501 20 0 GFADRO NS(=O)(=O)c1cc(Cl)cc(C[N@@H+]2CC3(CCOCC3)[C@@H]3CCC[C@@H]32)c1 ZINC000574523111 564677549 /nfs/dbraw/zinc/67/75/49/564677549.db2.gz KGKMGPLJNFYQKD-SJORKVTESA-N 1 0 384.929 2.769 20 0 GFADRO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)NCCOc1ccc(Br)cc1 ZINC000524136997 564677624 /nfs/dbraw/zinc/67/76/24/564677624.db2.gz XGJASQJBKPSJOS-MRXNPFEDSA-N 1 0 384.318 2.810 20 0 GFADRO C[C@@H](CNC(=O)c1cc(Br)cnc1OCC1CC1)[NH+]1CCCC1 ZINC000552127307 564678136 /nfs/dbraw/zinc/67/81/36/564678136.db2.gz SBFSAUYEOBNDRZ-LBPRGKRZSA-N 1 0 382.302 2.847 20 0 GFADRO C[N@@H+]1CCC[C@H](CNC(=O)Cn2cc(Br)cn2)[C@@H]1c1cccs1 ZINC000524645173 564684728 /nfs/dbraw/zinc/68/47/28/564684728.db2.gz HQCHBAXEMMEIJE-MLGOLLRUSA-N 1 0 397.342 2.906 20 0 GFADRO O[C@H](C[NH2+]CCCC1(O)CCC1)COc1cc(F)cc(Br)c1 ZINC000574686082 564684815 /nfs/dbraw/zinc/68/48/15/564684815.db2.gz IUHKJXAKDPSDIK-CQSZACIVSA-N 1 0 376.266 2.613 20 0 GFADRO C[C@H]1CC[N@H+](CCNC(=O)c2[nH]nc(-c3ccccc3)c2Br)C1 ZINC000524720202 564686092 /nfs/dbraw/zinc/68/60/92/564686092.db2.gz CJEFTBGXPIUAMA-LBPRGKRZSA-N 1 0 377.286 2.911 20 0 GFADRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1cccc(F)c1I ZINC000574749417 564686905 /nfs/dbraw/zinc/68/69/05/564686905.db2.gz DMUHTVBGNYMXEW-STQMWFEESA-N 1 0 388.224 2.787 20 0 GFADRO C[C@H](C[NH2+]Cc1ccc(Br)cc1N1CCOCC1)Cn1cccn1 ZINC000574736883 564687109 /nfs/dbraw/zinc/68/71/09/564687109.db2.gz VRFNSLIFMMDCNI-OAHLLOKOSA-N 1 0 393.329 2.908 20 0 GFADRO COCCc1nc(C)c([C@@H](C)[NH2+]C[C@@H](N2CCOCC2)C(F)(F)F)s1 ZINC000552335596 564687139 /nfs/dbraw/zinc/68/71/39/564687139.db2.gz XQWARZKPOGFIQH-DGCLKSJQSA-N 1 0 381.464 2.554 20 0 GFADRO C[N@@H+]1CCC[C@]2(CCN(Cc3cn(-c4ccccc4Br)nn3)C2)C1 ZINC000552357557 564687527 /nfs/dbraw/zinc/68/75/27/564687527.db2.gz GEFCELKJFVLVTN-SFHVURJKSA-N 1 0 390.329 2.948 20 0 GFADRO CS(=O)(=O)N1CC[C@H]([NH2+][C@@H]2CCC[C@H]2c2cccc(C(F)(F)F)c2)C1 ZINC000574761540 564688298 /nfs/dbraw/zinc/68/82/98/564688298.db2.gz JPJSZVRLUNQTAJ-HRCADAONSA-N 1 0 376.444 2.965 20 0 GFADRO COc1cc(C)c(Br)cc1C(=O)N1C[C@@H]([NH+](C)C)[C@@H](SC)C1 ZINC000552397943 564689640 /nfs/dbraw/zinc/68/96/40/564689640.db2.gz RPWXVCFEBFKPOV-HIFRSBDPSA-N 1 0 387.343 2.884 20 0 GFADRO CCC[NH+]1CCC(NC(=O)N(CCO)Cc2cccc(Br)c2)CC1 ZINC000487485735 564689786 /nfs/dbraw/zinc/68/97/86/564689786.db2.gz GLCHGRXUFMDBKM-UHFFFAOYSA-N 1 0 398.345 2.827 20 0 GFADRO Cc1cc(Br)cn2c(C[NH2+][C@@H](C3CC3)[C@]3(CO)CCCO3)cnc12 ZINC000552422951 564690606 /nfs/dbraw/zinc/69/06/06/564690606.db2.gz KYGRUIWTPDZKPU-FUHWJXTLSA-N 1 0 394.313 2.815 20 0 GFADRO CC1(C)[C@H]([NH2+]Cc2cc(=O)n3cc(Br)ccc3n2)[C@@H]2CCCO[C@H]21 ZINC000575001521 564690693 /nfs/dbraw/zinc/69/06/93/564690693.db2.gz XITFZAKMOPOJAI-IAOVAPTHSA-N 1 0 392.297 2.750 20 0 GFADRO C[N@@H+]1CCCC[C@H]1CCC(=O)NCc1cn2cc(Br)ccc2n1 ZINC000487563122 564691131 /nfs/dbraw/zinc/69/11/31/564691131.db2.gz GJEQZTUGXOQTBA-HNNXBMFYSA-N 1 0 379.302 2.978 20 0 GFADRO Cc1cc(S(=O)(=O)NCC2(C)CC[NH2+]CC2)c(F)cc1Br ZINC000575045797 564691384 /nfs/dbraw/zinc/69/13/84/564691384.db2.gz RIWPQNLDDVCVKJ-UHFFFAOYSA-N 1 0 379.295 2.565 20 0 GFADRO CN(CC[NH+]1CCCC1)C(=O)c1cnc(Sc2nccn2C)c(Cl)c1 ZINC000487592454 564692304 /nfs/dbraw/zinc/69/23/04/564692304.db2.gz NZHUERVLCNIJTC-UHFFFAOYSA-N 1 0 379.917 2.788 20 0 GFADRO C[C@@]1(C[C@H]2CCC[N@@H+]2Cc2cnc(-c3cccs3)s2)NC(=O)NC1=O ZINC000575218857 564694490 /nfs/dbraw/zinc/69/44/90/564694490.db2.gz MITLJXRHHWMXOW-DIFFPNOSSA-N 1 0 376.507 2.824 20 0 GFADRO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1Br ZINC000575311519 564695294 /nfs/dbraw/zinc/69/52/94/564695294.db2.gz KPYJPJZCKHCYII-JGVFFNPUSA-N 1 0 396.207 2.648 20 0 GFADRO C[C@@H]1CC[N@H+](CCNC(=O)c2ccc(-n3cc(Br)cn3)cc2)C1 ZINC000525291756 564697643 /nfs/dbraw/zinc/69/76/43/564697643.db2.gz NUWJGULLOITURB-CYBMUJFWSA-N 1 0 377.286 2.706 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)NCC(=O)Nc2cccc(Br)c2)C1 ZINC000487901102 564698790 /nfs/dbraw/zinc/69/87/90/564698790.db2.gz UPHUSCRCONGYDM-HUUCEWRRSA-N 1 0 397.317 2.560 20 0 GFADRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)NCC(=O)Nc2cccc(Br)c2)C1 ZINC000487901100 564699215 /nfs/dbraw/zinc/69/92/15/564699215.db2.gz UPHUSCRCONGYDM-CABCVRRESA-N 1 0 397.317 2.560 20 0 GFADRO Cc1cc(N2CC[C@@H]([NH2+][C@H](C)Cc3cnccn3)C2=O)ccc1Br ZINC000575600747 564700197 /nfs/dbraw/zinc/70/01/97/564700197.db2.gz LXHHMQOSGMILEQ-CXAGYDPISA-N 1 0 389.297 2.874 20 0 GFADRO COCCN(C)S(=O)(=O)[C@@H]1CCC[N@H+](CCCc2ccc(Cl)cc2)C1 ZINC000488061874 564702481 /nfs/dbraw/zinc/70/24/81/564702481.db2.gz LNSUXZGVQYHKAM-GOSISDBHSA-N 1 0 388.961 2.645 20 0 GFADRO COC(=O)c1cc(NC(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)ccc1Br ZINC000552969317 564705008 /nfs/dbraw/zinc/70/50/08/564705008.db2.gz MJOMVDDZFJWVPD-PWSUYJOCSA-N 1 0 384.274 2.840 20 0 GFADRO CCCN(CC[NH+]1CCCC1)C(=O)CNC(=O)c1cccc(Br)c1 ZINC000553070632 564708756 /nfs/dbraw/zinc/70/87/56/564708756.db2.gz WHKMIDLZIUPMMS-UHFFFAOYSA-N 1 0 396.329 2.513 20 0 GFADRO C[C@@H]1C[C@H]1C[N@@H+]1CCCN(S(=O)(=O)c2ccc(Br)s2)CC1 ZINC000488315884 564709133 /nfs/dbraw/zinc/70/91/33/564709133.db2.gz FKTUXYJWCMHDGM-NEPJUHHUSA-N 1 0 393.372 2.863 20 0 GFADRO Cc1cc(Br)cn2cc(CNC(=O)NC[C@@H]3CC[C@@H](C)O3)nc12 ZINC000458648536 564709740 /nfs/dbraw/zinc/70/97/40/564709740.db2.gz HQEDPZWAWWPRGV-RISCZKNCSA-N 1 0 381.274 2.772 20 0 GFADRO CO[C@@H]1CCN(C(=O)NCc2cn3cc(Br)cc(C)c3n2)C[C@@H]1C ZINC000458641349 564709756 /nfs/dbraw/zinc/70/97/56/564709756.db2.gz CGRGLMAMRVPEOJ-SWLSCSKDSA-N 1 0 395.301 2.972 20 0 GFADRO CC(C)[N@H+](C)CC1CCN(C(=O)C(=O)Nc2cccc(Br)c2)CC1 ZINC000525835733 564709940 /nfs/dbraw/zinc/70/99/40/564709940.db2.gz XYTQOXGMFHTEQR-UHFFFAOYSA-N 1 0 396.329 2.966 20 0 GFADRO CSc1nnc(CNC(=O)N[C@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)s1 ZINC000525842797 564710547 /nfs/dbraw/zinc/71/05/47/564710547.db2.gz SYEGCIPCLRMGLT-OCCSQVGLSA-N 1 0 377.539 2.895 20 0 GFADRO C[NH+](C)CCOCCNC(=O)N1CC[C@@H](c2cccc(Br)c2)C1 ZINC000458685313 564711558 /nfs/dbraw/zinc/71/15/58/564711558.db2.gz FLRGVIUXXOBKEH-OAHLLOKOSA-N 1 0 384.318 2.526 20 0 GFADRO C[C@H](CNC(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1)c1c(Cl)cccc1Cl ZINC000553207172 564712040 /nfs/dbraw/zinc/71/20/40/564712040.db2.gz WLKQPRMXQVPJGI-CHWSQXEVSA-N 1 0 386.323 2.766 20 0 GFADRO C[NH+](C)CC(C)(C)NC(=O)NCc1cnn(-c2ccc(Br)cc2)c1 ZINC000458700722 564713342 /nfs/dbraw/zinc/71/33/42/564713342.db2.gz BCFYWMORGOCELV-UHFFFAOYSA-N 1 0 394.317 2.774 20 0 GFADRO [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)Nc1nnc(-c2cccc(Cl)c2)s1 ZINC000576448358 564713549 /nfs/dbraw/zinc/71/35/49/564713549.db2.gz SYCOCFNDUMDJNI-XYAOECAESA-N 1 0 377.901 3.496 20 0 GFADRO C[C@@H]1[C@H](C)[S@@](=O)CCN1C(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000525981775 564714361 /nfs/dbraw/zinc/71/43/61/564714361.db2.gz JQDVVPUXGDJGMJ-WXZMKYBGSA-N 1 0 383.583 2.682 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(C(=O)N[C@@H]3CSc4ccc(Br)cc43)C[C@@H]21 ZINC000458720176 564714746 /nfs/dbraw/zinc/71/47/46/564714746.db2.gz MLAIRTZMLLUUIN-HONMWMINSA-N 1 0 382.327 2.941 20 0 GFADRO C[C@H]1CN(c2cc(Br)cc(F)c2C(N)=O)CC[N@@H+](C2CCC2)C1 ZINC000488730222 564719182 /nfs/dbraw/zinc/71/91/82/564719182.db2.gz KCKIRUPBZVAUFD-LLVKDONJSA-N 1 0 384.293 2.998 20 0 GFADRO CSc1ccc([C@H](CNC(=O)NCc2nn(C)cc2Cl)[NH+](C)C)cc1 ZINC000458879846 564722180 /nfs/dbraw/zinc/72/21/80/564722180.db2.gz CRHKOBHEALPQGW-INIZCTEOSA-N 1 0 381.933 2.898 20 0 GFADRO Brc1cnn(CCCC[NH2+]Cc2cnc(N3CCCC3)nc2)c1 ZINC000526988282 564724499 /nfs/dbraw/zinc/72/44/99/564724499.db2.gz FPZIEJIBHFZLJH-UHFFFAOYSA-N 1 0 379.306 2.606 20 0 GFADRO C[C@H]([NH2+]Cc1cc(Br)cc2c1OCC2)C1CCS(=O)(=O)CC1 ZINC000526984861 564724691 /nfs/dbraw/zinc/72/46/91/564724691.db2.gz KNZZDOOEAXDWBC-NSHDSACASA-N 1 0 388.327 2.687 20 0 GFADRO C[C@H](NS(=O)(=O)Cc1ccc(Cl)cc1Br)[C@@H]1CCC[NH2+]C1 ZINC000577107569 564725651 /nfs/dbraw/zinc/72/56/51/564725651.db2.gz QHQUYIWLBCZEGS-WDEREUQCSA-N 1 0 395.750 2.910 20 0 GFADRO C[C@@H](CCc1ccc(I)cc1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000527019968 564726338 /nfs/dbraw/zinc/72/63/38/564726338.db2.gz SOHSZTCDLYUNOS-GXTWGEPZSA-N 1 0 386.277 2.680 20 0 GFADRO C[C@@H]1[C@H]([N@H+](C)CCO)CCN1C(=O)NC/C=C/c1ccc(Br)cc1 ZINC000458988474 564727713 /nfs/dbraw/zinc/72/77/13/564727713.db2.gz XUJAUDMEMVKNDK-LMIZRQEKSA-N 1 0 396.329 2.559 20 0 GFADRO C[C@@H]1CCC[N@H+](CCNS(=O)(=O)c2cccc(OC(F)(F)F)c2F)C1 ZINC000489134309 564731303 /nfs/dbraw/zinc/73/13/03/564731303.db2.gz ULQPFRVVKBJWLV-LLVKDONJSA-N 1 0 384.395 2.735 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)NCCOc2cccc(Br)c2)C1 ZINC000489337038 564735918 /nfs/dbraw/zinc/73/59/18/564735918.db2.gz ZRESUXQYMIIHRK-HUUCEWRRSA-N 1 0 384.318 3.000 20 0 GFADRO C[N@@H+]1CCC[C@@H](CCNC(=O)N[C@@H](CO)c2cccc(Br)c2)C1 ZINC000459243869 564737728 /nfs/dbraw/zinc/73/77/28/564737728.db2.gz AFQMCDCKKQZZLR-BBRMVZONSA-N 1 0 384.318 2.514 20 0 GFADRO CC(C)[C@H]1CN(C(=O)Cc2ccccc2I)CC[N@@H+]1C ZINC000489393055 564738113 /nfs/dbraw/zinc/73/81/13/564738113.db2.gz SWDUGNOUPJNGOZ-OAHLLOKOSA-N 1 0 386.277 2.632 20 0 GFADRO C[C@@H]1CN(c2ccc(Cl)c(F)c2)CCN1C(=O)C[N@H+](C)[C@H]1CCSC1 ZINC000553827827 564738564 /nfs/dbraw/zinc/73/85/64/564738564.db2.gz RUVGMWRASCXELV-HIFRSBDPSA-N 1 0 385.936 2.954 20 0 GFADRO CC[N@H+](C)C[C@H]1CCN(S(=O)(=O)c2c(F)cccc2OC(F)(F)F)C1 ZINC000553839721 564739791 /nfs/dbraw/zinc/73/97/91/564739791.db2.gz VDOGEODRSYYAAK-LLVKDONJSA-N 1 0 384.395 2.687 20 0 GFADRO CC(C)[N@H+](CCN1C(=O)N[C@H](C)C1=O)Cc1cc(Br)ccc1F ZINC000459323601 564740227 /nfs/dbraw/zinc/74/02/27/564740227.db2.gz IVANXTFBTPDPTD-LLVKDONJSA-N 1 0 386.265 2.739 20 0 GFADRO C[NH+](C)CCN(Cc1ccsc1)C(=O)Nc1nnc(-c2ccco2)s1 ZINC000459346071 564741503 /nfs/dbraw/zinc/74/15/03/564741503.db2.gz PFGOUQXGGYOTBK-UHFFFAOYSA-N 1 0 377.495 3.455 20 0 GFADRO CCO[C@@H]1C[C@H]([NH2+]CCNC(=O)c2cccc(Br)c2)[C@@H]1SC ZINC000459408451 564743652 /nfs/dbraw/zinc/74/36/52/564743652.db2.gz GKZFGPWYOCWRKQ-ZNMIVQPWSA-N 1 0 387.343 2.678 20 0 GFADRO CC[NH+](CC)[C@H]1CCN(S(=O)(=O)c2cccc(OC(F)(F)F)c2F)C1 ZINC000489583716 564744760 /nfs/dbraw/zinc/74/47/60/564744760.db2.gz MZDCDRUZAIBITB-NSHDSACASA-N 1 0 384.395 2.829 20 0 GFADRO NC(=O)c1ncn(C2CC[NH+](CCc3cc(Cl)ccc3Cl)CC2)c1N ZINC000459448853 564745146 /nfs/dbraw/zinc/74/51/46/564745146.db2.gz MEARNHZNIDEDOR-UHFFFAOYSA-N 1 0 382.295 2.751 20 0 GFADRO CCOc1cc(C[NH2+][C@H](C)CCN2CCOCC2)cc(Br)c1O ZINC000459478292 564746150 /nfs/dbraw/zinc/74/61/50/564746150.db2.gz MYBVSBLYWIKZKV-CYBMUJFWSA-N 1 0 387.318 2.754 20 0 GFADRO Cc1cc(C)nc(N2CCN(Cc3cccc(O)c3Br)CC2)n1 ZINC000459489813 564747064 /nfs/dbraw/zinc/74/70/64/564747064.db2.gz VTLKBIVEWZJTSJ-UHFFFAOYSA-N 1 0 377.286 2.884 20 0 GFADRO C[C@H]1NC(=O)N(CC[NH2+][C@H]2c3cc(Br)ccc3CC2(C)C)C1=O ZINC000459485660 564747304 /nfs/dbraw/zinc/74/73/04/564747304.db2.gz DUSLTZHMQDRXPI-YGRLFVJLSA-N 1 0 380.286 2.602 20 0 GFADRO O=S(=O)(c1ccc(CC(F)(F)F)cc1)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000579473715 564747964 /nfs/dbraw/zinc/74/79/64/564747964.db2.gz HVVMIECQZMQSFG-HUUCEWRRSA-N 1 0 376.444 2.802 20 0 GFADRO O=C(Cc1csc(-c2cc(Br)cs2)n1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000579471537 564748341 /nfs/dbraw/zinc/74/83/41/564748341.db2.gz HFZFOJCZCBFZJD-SKDRFNHKSA-N 1 0 398.351 2.997 20 0 GFADRO CSC[C@@H](O)C[NH+]1CCC(N2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC000459502744 564748648 /nfs/dbraw/zinc/74/86/48/564748648.db2.gz GLQBQNANQJIUQL-IBGZPJMESA-N 1 0 383.989 2.650 20 0 GFADRO O=C(N[C@H]1C[NH2+]CCC1(F)F)N1CCc2ccc(F)c(Br)c2C1 ZINC000527593678 564748749 /nfs/dbraw/zinc/74/87/49/564748749.db2.gz KNMYAMUNIMXHJX-LBPRGKRZSA-N 1 0 392.219 2.653 20 0 GFADRO CN(C)S(=O)(=O)NCC[NH2+][C@@H]1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000459543212 564750198 /nfs/dbraw/zinc/75/01/98/564750198.db2.gz XKQVXELJEWRGFC-SWLSCSKDSA-N 1 0 380.341 2.615 20 0 GFADRO CCOc1cc(C[N@H+](C)C2(CCO)CCOCC2)cc(Br)c1O ZINC000459550087 564750480 /nfs/dbraw/zinc/75/04/80/564750480.db2.gz GYUJESGHZPRNPG-UHFFFAOYSA-N 1 0 388.302 2.917 20 0 GFADRO O=C(CNCc1cccc(O)c1Br)N[C@H]1CCOc2ccccc21 ZINC000459547560 564750603 /nfs/dbraw/zinc/75/06/03/564750603.db2.gz SVWDIPVTPSDUNO-AWEZNQCLSA-N 1 0 391.265 2.884 20 0 GFADRO CCOc1cc(CN2C[C@H](N3CCOCC3)C[C@@H]2C)cc(Br)c1O ZINC000459551386 564750632 /nfs/dbraw/zinc/75/06/32/564750632.db2.gz VUKNHYBLTMOSRO-DZGCQCFKSA-N 1 0 399.329 2.848 20 0 GFADRO COc1ccccc1CCNC(=O)CNCc1cccc(O)c1Br ZINC000459546800 564750690 /nfs/dbraw/zinc/75/06/90/564750690.db2.gz VKKDJHAHUZHPKD-UHFFFAOYSA-N 1 0 393.281 2.612 20 0 GFADRO COCCN1CC[C@@H]([NH2+]Cc2c[nH]nc2-c2ccc(Br)s2)C1 ZINC000527657975 564753091 /nfs/dbraw/zinc/75/30/91/564753091.db2.gz UFGURHJVGXPWPI-GFCCVEGCSA-N 1 0 385.331 2.711 20 0 GFADRO C[NH+]1CCN(c2ccc(NCc3ncc(Br)cc3F)nc2)CC1 ZINC000527642643 564753270 /nfs/dbraw/zinc/75/32/70/564753270.db2.gz QFDGVSIOGVXNSJ-UHFFFAOYSA-N 1 0 380.265 2.742 20 0 GFADRO Cc1c(Br)cccc1CNC(=O)[C@]1([NH3+])[C@H]2CCCO[C@@H]2C1(C)C ZINC000579977832 564754174 /nfs/dbraw/zinc/75/41/74/564754174.db2.gz KJNWBSCLSJDQHL-DHSIGJKJSA-N 1 0 381.314 2.906 20 0 GFADRO C[NH+](C)C1CCN(CCNCc2ncc(Cl)cc2Br)CC1 ZINC000527669606 564754418 /nfs/dbraw/zinc/75/44/18/564754418.db2.gz IZVWKPBFQZLXBP-UHFFFAOYSA-N 1 0 375.742 2.613 20 0 GFADRO COc1c[nH+]ccc1N1CCN([C@H](C)c2ncc(Br)cn2)CC1 ZINC000554250399 564754736 /nfs/dbraw/zinc/75/47/36/564754736.db2.gz UVMARPKSQMZERH-GFCCVEGCSA-N 1 0 378.274 2.526 20 0 GFADRO COC[C@H]([NH2+]C[C@]1(N2CCOCC2)CCSC1)c1cccc(Cl)c1F ZINC000554350091 564757404 /nfs/dbraw/zinc/75/74/04/564757404.db2.gz ZRYBKIOHCNYCIL-FUHWJXTLSA-N 1 0 388.936 2.964 20 0 GFADRO COc1cc(C[NH2+]C[C@H](O)[C@@H]2CCCO2)cc(Br)c1OC(F)F ZINC000527759345 564759634 /nfs/dbraw/zinc/75/96/34/564759634.db2.gz SXQZHWXGBMEWRN-RYUDHWBXSA-N 1 0 396.228 2.689 20 0 GFADRO C[C@@H]([NH2+]C[C@]1(CO)COCC2(CCC2)N1C)c1ccc(Br)s1 ZINC000527752744 564759905 /nfs/dbraw/zinc/75/99/05/564759905.db2.gz HDEGNFOJVGMBEE-WBMJQRKESA-N 1 0 389.359 2.777 20 0 GFADRO CO[C@H]1C[C@H]([NH2+]CC(=O)N(C)Cc2ccccc2Br)C12CCC2 ZINC000459748057 564760048 /nfs/dbraw/zinc/76/00/48/564760048.db2.gz JOTJIYMKLWVWDC-HOTGVXAUSA-N 1 0 381.314 2.955 20 0 GFADRO CCN(CC[NH+]1CCCCCC1)C(=O)Nc1cc(Br)c(=O)n(C)c1 ZINC000554481736 564762281 /nfs/dbraw/zinc/76/22/81/564762281.db2.gz GNEZYEMERUDWHQ-UHFFFAOYSA-N 1 0 399.333 2.878 20 0 GFADRO O=S(=O)(c1cc(Br)sc1Cl)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000490092760 564762925 /nfs/dbraw/zinc/76/29/25/564762925.db2.gz ZNCGRSHBVLHEGX-LBPRGKRZSA-N 1 0 399.763 2.928 20 0 GFADRO COCCN(Cc1nc(-c2ccc(Br)s2)no1)[C@H]1CCOC1 ZINC000490098133 564763679 /nfs/dbraw/zinc/76/36/79/564763679.db2.gz XGZBCILTXORYJD-JTQLQIEISA-N 1 0 388.287 2.798 20 0 GFADRO CN1CC[N@H+](CCCNC(=O)[C@@H]2C[C@]2(C)Br)[C@H](c2ccccc2)C1 ZINC000527898425 564764345 /nfs/dbraw/zinc/76/43/45/564764345.db2.gz OSTBEDQDBAWDPS-LNLFQRSKSA-N 1 0 394.357 2.655 20 0 GFADRO O=S(=O)(c1ccc(C(F)(F)F)cc1F)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000580563930 564765125 /nfs/dbraw/zinc/76/51/25/564765125.db2.gz HOAYOHVXGFEYLB-CQSZACIVSA-N 1 0 380.407 2.997 20 0 GFADRO C[C@H]([NH2+]C[C@]1(CO)COCC2(CCC2)N1C)c1ccc(Br)cc1 ZINC000527945090 564765419 /nfs/dbraw/zinc/76/54/19/564765419.db2.gz FOPMFBRRGZMVRX-KSSFIOAISA-N 1 0 383.330 2.716 20 0 GFADRO CN(C)CC[N@H+](C)CCCN(C)C(=O)NCc1cc(Br)cs1 ZINC000460135853 564770539 /nfs/dbraw/zinc/77/05/39/564770539.db2.gz WXOINKAWFBIBHN-UHFFFAOYSA-N 1 0 391.379 2.536 20 0 GFADRO Cc1ccc(F)c(C(=O)N(C)CCC[N@@H+](C)CCN(C)C)c1Br ZINC000554783487 564773393 /nfs/dbraw/zinc/77/33/93/564773393.db2.gz KVCUGKIQHPWDNW-UHFFFAOYSA-N 1 0 388.325 2.852 20 0 GFADRO O=C(NCc1ccc(O)c(Br)c1)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000528285310 564775017 /nfs/dbraw/zinc/77/50/17/564775017.db2.gz CHWRNPNHUAKHJC-CQSZACIVSA-N 1 0 382.302 2.971 20 0 GFADRO CC[NH+](CC)CCS(=O)(=O)NC1(Cc2ccccc2Br)CC1 ZINC000490524172 564775669 /nfs/dbraw/zinc/77/56/69/564775669.db2.gz NCCZKUFEOAVEAX-UHFFFAOYSA-N 1 0 389.359 2.785 20 0 GFADRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)c1ccc(Br)c(F)c1F ZINC000528429573 564784049 /nfs/dbraw/zinc/78/40/49/564784049.db2.gz KDTKCIBZGUDZCB-LLVKDONJSA-N 1 0 391.256 2.910 20 0 GFADRO CN(C)S(=O)(=O)CCC[N@H+](Cc1cccc(Br)c1)C1CC1 ZINC000491054337 564785147 /nfs/dbraw/zinc/78/51/47/564785147.db2.gz WCFUMQJQCCWJMX-UHFFFAOYSA-N 1 0 375.332 2.695 20 0 GFADRO CCC[NH+]1CCC(NC(=O)N[C@H]2C[C@H](C)S(=O)(=O)c3sccc32)CC1 ZINC000555191337 564785521 /nfs/dbraw/zinc/78/55/21/564785521.db2.gz DPUUSDMPBMPMCJ-WFASDCNBSA-N 1 0 385.555 2.529 20 0 GFADRO COCc1nc(CNC(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)cs1 ZINC000555176067 564785696 /nfs/dbraw/zinc/78/56/96/564785696.db2.gz ADJPIPIYADFQEE-CQSZACIVSA-N 1 0 380.539 2.987 20 0 GFADRO COc1ccc(-c2csc([C@]3(NC(C)=O)CC[NH2+]C3)n2)cc1Br ZINC000581071164 564786828 /nfs/dbraw/zinc/78/68/28/564786828.db2.gz CBFVFYCBEDWAQS-INIZCTEOSA-N 1 0 396.310 2.906 20 0 GFADRO CCN1C[C@@H](C)N(C(=O)C(=O)N[C@H](C)c2ccc(Br)cc2)C[C@H]1C ZINC000581084522 564786967 /nfs/dbraw/zinc/78/69/67/564786967.db2.gz HWMCBMIVGVQCEG-MGPQQGTHSA-N 1 0 396.329 2.567 20 0 GFADRO Cn1cc(Br)c(=O)c(NC(=O)c2ccc(C[NH+]3CCCC3)cc2)c1 ZINC000555247927 564787394 /nfs/dbraw/zinc/78/73/94/564787394.db2.gz GIFFMCMWSRNXKG-UHFFFAOYSA-N 1 0 390.281 2.996 20 0 GFADRO COC1CC[NH+](C(C)(C)CNC(=O)c2cc(O)cc(Br)c2)CC1 ZINC000528478012 564788075 /nfs/dbraw/zinc/78/80/75/564788075.db2.gz WXGYWZFYOIPTST-UHFFFAOYSA-N 1 0 385.302 2.774 20 0 GFADRO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@@H](CCO)C1CCOCC1 ZINC000461100444 564789013 /nfs/dbraw/zinc/78/90/13/564789013.db2.gz XAJCAEWYDOJZNL-DYVFJYSZSA-N 1 0 399.329 2.933 20 0 GFADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)c1c(Br)ccc2ccccc21 ZINC000528519433 564790296 /nfs/dbraw/zinc/79/02/96/564790296.db2.gz CHYVVDYAGDEWSK-CQSZACIVSA-N 1 0 376.298 2.578 20 0 GFADRO Cc1c(Br)ccnc1NC(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000581180072 564791134 /nfs/dbraw/zinc/79/11/34/564791134.db2.gz FLTLOBDJVBJTSQ-CABCVRRESA-N 1 0 397.317 2.652 20 0 GFADRO C[N@@H+]1CCC[C@@]2(CCN(S(=O)(=O)Cc3ccc(Br)cc3)C2)C1 ZINC000555404641 564792221 /nfs/dbraw/zinc/79/22/21/564792221.db2.gz ASLIQUNXANAHIV-MRXNPFEDSA-N 1 0 387.343 2.697 20 0 GFADRO C[N@@H+]1CCC[C@]2(CCN(S(=O)(=O)c3ccc(F)cc3Br)C2)C1 ZINC000555404869 564792578 /nfs/dbraw/zinc/79/25/78/564792578.db2.gz JMWOILZEKZJJQU-HNNXBMFYSA-N 1 0 391.306 2.695 20 0 GFADRO CSC1(CNC(=O)Cc2csc(-c3cccnc3)n2)CC[NH+](C)CC1 ZINC000581222673 564793672 /nfs/dbraw/zinc/79/36/72/564793672.db2.gz GLSLTCVDQNISLS-UHFFFAOYSA-N 1 0 376.551 2.691 20 0 GFADRO OCC[C@H]([NH2+]Cc1ccc(I)cc1)C1CCOCC1 ZINC000461363728 564795162 /nfs/dbraw/zinc/79/51/62/564795162.db2.gz RODDCUQZUYEYGJ-HNNXBMFYSA-N 1 0 375.250 2.558 20 0 GFADRO CC[C@@H](C(=O)N1CCNC(=O)[C@@H]1c1ccccc1Br)[NH+](CC)CC ZINC000461479465 564798391 /nfs/dbraw/zinc/79/83/91/564798391.db2.gz LYVODUPJMLEXQI-HOTGVXAUSA-N 1 0 396.329 2.569 20 0 GFADRO O=C(C[NH2+]C[C@H]1CCCO1)N1CCC(c2ccccc2Br)CC1 ZINC000581364854 564798995 /nfs/dbraw/zinc/79/89/95/564798995.db2.gz NIGOLBJSUFYDMJ-OAHLLOKOSA-N 1 0 381.314 2.924 20 0 GFADRO CC(C)(C)[N@@H+]1CCCN(C(=O)C(=O)NCc2ccc(Cl)cc2Cl)CC1 ZINC000555625474 564799449 /nfs/dbraw/zinc/79/94/49/564799449.db2.gz GEXXYVRVJAPUED-UHFFFAOYSA-N 1 0 386.323 2.942 20 0 GFADRO O=C(Nc1nc(C(F)(F)F)cs1)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000528669003 564799628 /nfs/dbraw/zinc/79/96/28/564799628.db2.gz RLFRRCXJGGKXMQ-LLVKDONJSA-N 1 0 378.420 2.784 20 0 GFADRO CCCN(Cc1ccccc1Br)C(=O)C(=O)NCC[NH+](CC)CC ZINC000555639186 564800728 /nfs/dbraw/zinc/80/07/28/564800728.db2.gz VSXJSDVSHIUFSN-UHFFFAOYSA-N 1 0 398.345 2.646 20 0 GFADRO C[C@H](NC(=O)NC1CC[NH+](C2CCC2)CC1)c1ncc(Br)cn1 ZINC000581412379 564801703 /nfs/dbraw/zinc/80/17/03/564801703.db2.gz GTKIHGZLJLWJSG-NSHDSACASA-N 1 0 382.306 2.616 20 0 GFADRO C[C@@H](NC(=O)C(=O)N1CC[N@H+](C)CC[C@H]1C)c1cc(F)c(Cl)cc1Cl ZINC000555695573 564802292 /nfs/dbraw/zinc/80/22/92/564802292.db2.gz GQDPHAIZZKNYHY-GHMZBOCLSA-N 1 0 390.286 2.862 20 0 GFADRO CC1([NH+]2CCOCC2)CCN(C[C@@H](O)c2cccc(Br)c2)CC1 ZINC000528731581 564802718 /nfs/dbraw/zinc/80/27/18/564802718.db2.gz UHBIOGNPGAPTBN-QGZVFWFLSA-N 1 0 383.330 2.669 20 0 GFADRO CN(C)CC[N@H+](C)CCCNC(=O)Nc1ccc(Br)cc1F ZINC000581451978 564803114 /nfs/dbraw/zinc/80/31/14/564803114.db2.gz BLNKRSMUFBELQP-UHFFFAOYSA-N 1 0 375.286 2.593 20 0 GFADRO C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[NH2+]CC(=O)Nc1ccc(I)cc1 ZINC000528754426 564803817 /nfs/dbraw/zinc/80/38/17/564803817.db2.gz DGHZOYMEDJXWAI-KIGUWFBYSA-N 1 0 388.249 2.631 20 0 GFADRO C[C@@H](NC(=O)[C@H](C)N1CC[C@H]2CC[C@@H](C1)S2(=O)=O)c1ccc(Cl)cc1 ZINC000528775749 564804650 /nfs/dbraw/zinc/80/46/50/564804650.db2.gz HZCASCYHNCVDOS-GFOFROLCSA-N 1 0 384.929 2.557 20 0 GFADRO Cc1ccc(NC(=O)C(=O)N[C@@H](C)C[NH+]2CCC(C)CC2)c(Br)c1 ZINC000581500621 564805490 /nfs/dbraw/zinc/80/54/90/564805490.db2.gz YVRVEZCBWHPWBF-AWEZNQCLSA-N 1 0 396.329 2.933 20 0 GFADRO [NH3+]CCC1CCN(CC(=O)Nc2c(F)cc(F)cc2Br)CC1 ZINC000581553442 564808137 /nfs/dbraw/zinc/80/81/37/564808137.db2.gz PRHBGMOAPMLSHX-UHFFFAOYSA-N 1 0 376.245 2.727 20 0 GFADRO CC[NH+](CC)CC[C@H](CO)NC(=O)c1nc2ccccc2cc1Br ZINC000581557581 564808205 /nfs/dbraw/zinc/80/82/05/564808205.db2.gz OPMQKUNEXOPWGF-CQSZACIVSA-N 1 0 394.313 2.820 20 0 GFADRO COCC[N@@H+]1CC[C@H](NC(=O)Nc2cc3c(cc2Br)CCC3)C1 ZINC000556031266 564810394 /nfs/dbraw/zinc/81/03/94/564810394.db2.gz AKGOFHTVSLKRKH-AWEZNQCLSA-N 1 0 382.302 2.780 20 0 GFADRO CCc1sc(C(=O)N(C)CCCN2CC[NH+](C)CC2)cc1Br ZINC000556029186 564810455 /nfs/dbraw/zinc/81/04/55/564810455.db2.gz VCLUZSSODCUTNY-UHFFFAOYSA-N 1 0 388.375 2.783 20 0 GFADRO CC(C)[N@@H+](C)C[C@H](C)NC(=O)N(C)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000462015538 564811480 /nfs/dbraw/zinc/81/14/80/564811480.db2.gz QJEIZTNZFOQCKM-SWLSCSKDSA-N 1 0 387.933 2.539 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S(=O)(=O)CC[NH2+][C@@H]1C[C@@]1(C)C(C)C ZINC000581662380 564812809 /nfs/dbraw/zinc/81/28/09/564812809.db2.gz HPPUTCIMDNCSLN-MSOLQXFVSA-N 1 0 387.567 2.668 20 0 GFADRO CCCN(CC1CC1)S(=O)(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000493911261 564812978 /nfs/dbraw/zinc/81/29/78/564812978.db2.gz FJJZPPWPSFAKIH-KRWDZBQOSA-N 1 0 385.599 2.917 20 0 GFADRO C[NH+](C)C[C@H]1CCCN1S(=O)(=O)c1cccc(Cl)c1Br ZINC000493924940 564813816 /nfs/dbraw/zinc/81/38/16/564813816.db2.gz JPHQNZOFBIURON-SNVBAGLBSA-N 1 0 381.723 2.817 20 0 GFADRO Cc1cc(Br)cn2cc(CCNC(=O)c3cnn(C4CC4)c3)nc12 ZINC000529025376 564815126 /nfs/dbraw/zinc/81/51/26/564815126.db2.gz VUBOUFJXBVHSBC-UHFFFAOYSA-N 1 0 388.269 2.909 20 0 GFADRO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@@H](c1ccccc1)N(C)C ZINC000556234211 564815329 /nfs/dbraw/zinc/81/53/29/564815329.db2.gz WEKOKTNZRFEENH-YOEHRIQHSA-N 1 0 378.314 2.892 20 0 GFADRO C[C@H]([NH2+]C[C@H](O)COc1cc(F)cc(Br)c1)c1cc[nH]c(=O)c1 ZINC000581721804 564815487 /nfs/dbraw/zinc/81/54/87/564815487.db2.gz QOLZVAQKUKPWPK-HZMBPMFUSA-N 1 0 385.233 2.779 20 0 GFADRO COC[C@@H]([NH2+]CCCS(=O)(=O)c1ccc(Cl)cc1)C1CCOCC1 ZINC000556261575 564815841 /nfs/dbraw/zinc/81/58/41/564815841.db2.gz SSCAJXYEGOEXBV-QGZVFWFLSA-N 1 0 375.918 2.535 20 0 GFADRO C[C@H](NS(=O)(=O)CCc1ccccc1Br)C(C)(C)C[NH+](C)C ZINC000462097260 564818676 /nfs/dbraw/zinc/81/86/76/564818676.db2.gz JNNACLHPOLHYQZ-ZDUSSCGKSA-N 1 0 391.375 2.887 20 0 GFADRO Cc1cc(I)ccc1NC(=O)C[NH2+][C@@]1(C)CCO[C@@H]1C ZINC000494249691 564821263 /nfs/dbraw/zinc/82/12/63/564821263.db2.gz CBVLWDXXPSBDDT-ABAIWWIYSA-N 1 0 388.249 2.695 20 0 GFADRO CC(C)[N@H+](C)C[C@H](C)NS(=O)(=O)CCc1ccccc1Br ZINC000462129812 564822345 /nfs/dbraw/zinc/82/23/45/564822345.db2.gz GYRKWAGJGQKZTD-ZDUSSCGKSA-N 1 0 377.348 2.640 20 0 GFADRO O=C(C1CC[NH+]([C@@H]2CCSC2)CC1)N(C[C@H]1CCCO1)[C@H]1CCSC1 ZINC000581952373 564824585 /nfs/dbraw/zinc/82/45/85/564824585.db2.gz IYRXCSKFIADJSQ-FGTMMUONSA-N 1 0 384.611 2.717 20 0 GFADRO C[C@@H]1CN(C(=O)C(=O)Nc2cccc(Br)c2)CC[N@@H+](C2CCC2)C1 ZINC000556436831 564826137 /nfs/dbraw/zinc/82/61/37/564826137.db2.gz ROACSMBHWWXKJE-ZDUSSCGKSA-N 1 0 394.313 2.720 20 0 GFADRO Cc1nc(C(F)(F)F)sc1C(=O)N1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000462246163 564828672 /nfs/dbraw/zinc/82/86/72/564828672.db2.gz MGRGVEGELVXPTQ-QJPTWQEYSA-N 1 0 377.432 2.794 20 0 GFADRO Cc1cc(N2CCC[C@@H]([N@@H+]3C[C@H](O)C4(CC4)C3)C2=O)ccc1Br ZINC000494418932 564829364 /nfs/dbraw/zinc/82/93/64/564829364.db2.gz PXHJXGOCQRTMRC-CVEARBPZSA-N 1 0 379.298 2.710 20 0 GFADRO O=C(N[C@@H]1CCN(c2cccc(Br)c2)C1)N[C@@H]1CC[NH2+]C12CCC2 ZINC000529326489 564829693 /nfs/dbraw/zinc/82/96/93/564829693.db2.gz XEJVPNMCHVMRFB-GDBMZVCRSA-N 1 0 393.329 2.612 20 0 GFADRO O=C(N[C@@H]1CC[NH2+]C12CCC2)N1CCc2cc(Br)cc(F)c2C1 ZINC000529349872 564829936 /nfs/dbraw/zinc/82/99/36/564829936.db2.gz AJPCLWRLQDPCCR-OAHLLOKOSA-N 1 0 382.277 2.941 20 0 GFADRO C[C@H](NC(=O)NCc1ccc(Br)c(F)c1F)[C@H]1CCC[NH2+]C1 ZINC000529332576 564829959 /nfs/dbraw/zinc/82/99/59/564829959.db2.gz NRLXQZVTSGIVMT-UWVGGRQHSA-N 1 0 376.245 2.915 20 0 GFADRO O=C(NCc1cc(F)c(Br)cc1F)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000529338289 564830243 /nfs/dbraw/zinc/83/02/43/564830243.db2.gz CHCGCKJEYWNFRI-HOSYDEDBSA-N 1 0 388.256 2.915 20 0 GFADRO CCC[N@H+](CC)C[C@H](C)NC(=O)c1ccc(Br)cc1-n1cncn1 ZINC000582095685 564830312 /nfs/dbraw/zinc/83/03/12/564830312.db2.gz FBURRYSHMKQKRK-ZDUSSCGKSA-N 1 0 394.317 2.880 20 0 GFADRO COc1cc(C(=O)N2CC[N@H+](C)[C@@H](C(C)C)C2)cc(Br)c1OC ZINC000556569553 564830781 /nfs/dbraw/zinc/83/07/81/564830781.db2.gz NWJQQJQMKHYRDL-CQSZACIVSA-N 1 0 385.302 2.879 20 0 GFADRO O=C(N[C@H]1CC[NH2+]C12CCC2)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000529362650 564831521 /nfs/dbraw/zinc/83/15/21/564831521.db2.gz YWYUZGSWIQWAGY-AWEZNQCLSA-N 1 0 384.311 2.505 20 0 GFADRO C[C@@H]1CCN(C(=O)NCc2cc(F)c(Br)cc2F)C[C@@H]1C[NH3+] ZINC000529371403 564832435 /nfs/dbraw/zinc/83/24/35/564832435.db2.gz XCNNZBKHARNUKU-KOLCDFICSA-N 1 0 376.245 2.854 20 0 GFADRO O=C(NC[C@H]1COCC[NH2+]1)N1c2ccc(Br)cc2[C@@H]2CCCC[C@@H]21 ZINC000529387326 564832819 /nfs/dbraw/zinc/83/28/19/564832819.db2.gz NQJZXNUJNXTTTE-DZKIICNBSA-N 1 0 394.313 2.993 20 0 GFADRO CSc1ccc(S(=O)(=O)NCC2([NH+](C)C)Cc3ccccc3C2)cc1 ZINC000462317706 564833665 /nfs/dbraw/zinc/83/36/65/564833665.db2.gz CVOZHSMMABYVIT-UHFFFAOYSA-N 1 0 376.547 2.786 20 0 GFADRO COCC[C@H](Cc1cccc(Br)c1)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000556706766 564836457 /nfs/dbraw/zinc/83/64/57/564836457.db2.gz KAOLCHUJKOZIBH-BRWVUGGUSA-N 1 0 395.341 2.712 20 0 GFADRO [NH3+][C@@H]1CCCC[C@H]1CC(=O)NCCC(=O)Nc1ccc(Br)cc1 ZINC000582238516 564837294 /nfs/dbraw/zinc/83/72/94/564837294.db2.gz IGAOMGBLFPKTRD-SWLSCSKDSA-N 1 0 382.302 2.802 20 0 GFADRO O=C(CC[NH2+]CCCOC1CCOCC1)Nc1cccc(Br)c1 ZINC000582296805 564839477 /nfs/dbraw/zinc/83/94/77/564839477.db2.gz XJFDDZMTWKSZBE-UHFFFAOYSA-N 1 0 385.302 2.953 20 0 GFADRO CC[C@@H]1CN(Cc2ncc(Cl)cc2Br)CC[N@@H+]1C[C@@H](C)O ZINC000529528038 564839644 /nfs/dbraw/zinc/83/96/44/564839644.db2.gz FOGQYTRBFOHWQQ-DGCLKSJQSA-N 1 0 376.726 2.775 20 0 GFADRO O=S(=O)(c1cccs1)N1CC[C@H](C[NH2+]C2CCC3(CCCO3)CC2)C1 ZINC000582316863 564840907 /nfs/dbraw/zinc/84/09/07/564840907.db2.gz IEZWLBUUKCCTBK-KLHKWILBSA-N 1 0 384.567 2.840 20 0 GFADRO CN1CCN(c2cc[nH+]cc2NC(=O)c2cscc2Br)CC1 ZINC000556792754 564841260 /nfs/dbraw/zinc/84/12/60/564841260.db2.gz RJTHWYOZCWYKKR-UHFFFAOYSA-N 1 0 381.299 2.910 20 0 GFADRO COc1ccc(C[NH2+][C@@H]2CCC[C@H](S(C)(=O)=O)C2)c(Br)c1 ZINC000556837285 564842754 /nfs/dbraw/zinc/84/27/54/564842754.db2.gz BTYXEOHGDOXBOZ-OCCSQVGLSA-N 1 0 376.316 2.903 20 0 GFADRO COCC[C@H](Cc1cccc(Br)c1)C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000494879878 564842912 /nfs/dbraw/zinc/84/29/12/564842912.db2.gz RABYHEAVWHTXSY-SOLBZPMBSA-N 1 0 395.341 2.855 20 0 GFADRO CC1(C)NC(=O)CC[C@@H]1[NH2+]C[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000494933309 564843462 /nfs/dbraw/zinc/84/34/62/564843462.db2.gz URNMUKVBYFWUIV-BBRMVZONSA-N 1 0 380.330 2.922 20 0 GFADRO O=C(NCCC[NH2+]Cc1c[nH]c2nccnc12)c1cccc(Br)c1 ZINC000582392340 564844401 /nfs/dbraw/zinc/84/44/01/564844401.db2.gz XSOBZCHDRSMRKW-UHFFFAOYSA-N 1 0 388.269 2.582 20 0 GFADRO C[C@H](NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)c1ncc(Br)cn1 ZINC000582397384 564844464 /nfs/dbraw/zinc/84/44/64/564844464.db2.gz IIYJKHUIOKDECS-JTQLQIEISA-N 1 0 384.322 2.909 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCC(=O)NC1(C)C)c1ccc(Br)cc1OCCCO ZINC000494993475 564845577 /nfs/dbraw/zinc/84/55/77/564845577.db2.gz CFEDKAPYKWPLTK-BLLLJJGKSA-N 1 0 399.329 2.918 20 0 GFADRO CC[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C(C)(C)C)C[C@H]2C(F)(F)F)C[C@@H](C)[S@@]1=O ZINC000556937029 564847764 /nfs/dbraw/zinc/84/77/64/564847764.db2.gz VVBWWCDCHQYIPA-UVSWBDIZSA-N 1 0 382.492 2.653 20 0 GFADRO CN1CCN(C(=O)Nc2ccc(Br)c(C(F)(F)F)c2)[C@H](C[NH3+])C1 ZINC000556948445 564848109 /nfs/dbraw/zinc/84/81/09/564848109.db2.gz LSZKOTRXBHDYNU-SNVBAGLBSA-N 1 0 395.223 2.575 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)N1CCOc2ccc(Br)cc2C1 ZINC000556970986 564848885 /nfs/dbraw/zinc/84/88/85/564848885.db2.gz WRDQOSUQMCHRHX-HZPDHXFCSA-N 1 0 394.313 2.980 20 0 GFADRO CC[NH+]1CCN(CC(=O)N[C@@H](C)c2cc(F)c(Br)cc2F)CC1 ZINC000529751549 564849668 /nfs/dbraw/zinc/84/96/68/564849668.db2.gz KRHDOKPNUJMZOR-NSHDSACASA-N 1 0 390.272 2.542 20 0 GFADRO CCOC(=O)CSc1nnc(NC(=O)C2(C[NH+](C)C)CCCCC2)s1 ZINC000495129310 564849932 /nfs/dbraw/zinc/84/99/32/564849932.db2.gz FEGILOQUOQFFJR-UHFFFAOYSA-N 1 0 386.543 2.644 20 0 GFADRO C[C@@H](CC(=O)NCCOCC[NH+](C)C)c1ccc(F)c(Br)c1 ZINC000462588655 564851216 /nfs/dbraw/zinc/85/12/16/564851216.db2.gz GPURTJHIVJAGFZ-LBPRGKRZSA-N 1 0 375.282 2.776 20 0 GFADRO C[C@@]1(n2cc(C[NH2+]Cc3ccc4sccc4c3)cn2)CCS(=O)(=O)C1 ZINC000582574992 564852608 /nfs/dbraw/zinc/85/26/08/564852608.db2.gz OLLGNDXCODYJPS-GOSISDBHSA-N 1 0 375.519 2.921 20 0 GFADRO O=C(NCCNc1ncc(Cl)cc1Cl)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000557131414 564855264 /nfs/dbraw/zinc/85/52/64/564855264.db2.gz UGDRUTAPRIMYEZ-OLZOCXBDSA-N 1 0 386.327 2.831 20 0 GFADRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1cccc(I)c1 ZINC000557117872 564855354 /nfs/dbraw/zinc/85/53/54/564855354.db2.gz KXWPAAPXYLNESH-IUODEOHRSA-N 1 0 384.261 2.990 20 0 GFADRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)NCc3cc(Br)cc4c3OCC4)C[C@@H]21 ZINC000557181523 564857497 /nfs/dbraw/zinc/85/74/97/564857497.db2.gz VUKGCMQRAWMYQJ-VBNZEHGJSA-N 1 0 394.313 2.653 20 0 GFADRO C[C@@H]1CCC[N@H+](CCNc2ncnc3ccc(I)cc32)C1 ZINC000462782667 564857815 /nfs/dbraw/zinc/85/78/15/564857815.db2.gz FQZBPKYVWOENNE-GFCCVEGCSA-N 1 0 396.276 3.378 20 0 GFADRO Cc1sc2nc(C)nc(SCC(=O)N3CCC[C@H]4C[NH2+]C[C@H]43)c2c1C ZINC000582706607 564858357 /nfs/dbraw/zinc/85/83/57/564858357.db2.gz LNHBSWUYIBMHJF-UONOGXRCSA-N 1 0 376.551 2.919 20 0 GFADRO COC1(C(=O)N2CCc3sc(-c4csc(C)n4)cc3C2)CC[NH2+]CC1 ZINC000582726976 564858802 /nfs/dbraw/zinc/85/88/02/564858802.db2.gz ZDBACPUGGGASHS-UHFFFAOYSA-N 1 0 377.535 2.833 20 0 GFADRO O=C(N[C@@H]1C[C@H]1C1CC[NH2+]CC1)N(CCO)Cc1ccc(Cl)c(Cl)c1 ZINC000557253287 564859086 /nfs/dbraw/zinc/85/90/86/564859086.db2.gz ATDURNKAIUYKLW-WMLDXEAASA-N 1 0 386.323 2.885 20 0 GFADRO Cc1cc(S(=O)(=O)NCCC[C@H]2CCC[NH2+]2)c(F)cc1Br ZINC000582725040 564859067 /nfs/dbraw/zinc/85/90/67/564859067.db2.gz CUIPNFMTTYCREL-LLVKDONJSA-N 1 0 379.295 2.707 20 0 GFADRO CCN(Cc1ccccc1Br)C[C@H](O)C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000557295114 564859462 /nfs/dbraw/zinc/85/94/62/564859462.db2.gz LETZMYUJJZNNLS-ZOBUZTSGSA-N 1 0 385.346 2.741 20 0 GFADRO CN(C)c1cnc(C(=O)N[C@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)cn1 ZINC000530032404 564860613 /nfs/dbraw/zinc/86/06/13/564860613.db2.gz RVJAHNKFXIIFEF-OAHLLOKOSA-N 1 0 382.295 2.882 20 0 GFADRO C[C@@H]1CN(C(=O)c2cccc(F)c2Br)CCN1C1CC[NH+](C)CC1 ZINC000496737642 564861685 /nfs/dbraw/zinc/86/16/85/564861685.db2.gz KWRBJBVFRHSUGM-CYBMUJFWSA-N 1 0 398.320 2.829 20 0 GFADRO CC(C)(C)NC(=O)Nc1ccc(Cl)c(C(=O)N[C@@H](CC[NH3+])C(F)F)c1 ZINC000582784975 564861857 /nfs/dbraw/zinc/86/18/57/564861857.db2.gz NGKHOEYUQMIBEI-LBPRGKRZSA-N 1 0 376.835 2.972 20 0 GFADRO Cc1cc(CC[NH2+]Cc2cnn([C@@]3(C)CCS(=O)(=O)C3)c2)ccc1Cl ZINC000462915649 564863088 /nfs/dbraw/zinc/86/30/88/564863088.db2.gz XBSFNHDONXQRII-SFHVURJKSA-N 1 0 381.929 2.711 20 0 GFADRO C[C@@H](CNC(=O)C(=O)N1CC[N@H+](C)CC[C@@H]1C)c1c(Cl)cccc1Cl ZINC000557456829 564864307 /nfs/dbraw/zinc/86/43/07/564864307.db2.gz VOAFMLUHTDWEJQ-STQMWFEESA-N 1 0 386.323 2.766 20 0 GFADRO O=C(CCC1CC[NH2+]CC1)N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000582843498 564864467 /nfs/dbraw/zinc/86/44/67/564864467.db2.gz HYTBWOLFDJXEMF-MRXNPFEDSA-N 1 0 384.307 2.995 20 0 GFADRO C[C@@H](NS(=O)(=O)c1c(Cl)cc(F)cc1Br)[C@H]1CCC[NH2+]C1 ZINC000497354043 564865330 /nfs/dbraw/zinc/86/53/30/564865330.db2.gz AEJAKSDAWKSSTH-BDAKNGLRSA-N 1 0 399.713 2.908 20 0 GFADRO C[C@H](NS(=O)(=O)c1ccc(Br)c(Cl)c1)[C@H]1CCC[NH2+]C1 ZINC000497355577 564865737 /nfs/dbraw/zinc/86/57/37/564865737.db2.gz YVOFHZBXJFTNAZ-UWVGGRQHSA-N 1 0 381.723 2.769 20 0 GFADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)NCCc3ccc(F)c(Br)c3)[C@@H]2C1 ZINC000497406019 564866216 /nfs/dbraw/zinc/86/62/16/564866216.db2.gz DCJKTQLHPQIYNM-CZUORRHYSA-N 1 0 384.293 2.866 20 0 GFADRO CS(=O)(=O)N(CC(F)(F)F)C1CC[NH+]([C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000463078938 564868783 /nfs/dbraw/zinc/86/87/83/564868783.db2.gz VGFNZFSKZFQCIM-JKSUJKDBSA-N 1 0 376.444 2.831 20 0 GFADRO C[C@@H](Cn1ccnc1)NS(=O)(=O)Cc1cc(Cl)ccc1Br ZINC000582961670 564870272 /nfs/dbraw/zinc/87/02/72/564870272.db2.gz JJWSRBNKWFYAJC-JTQLQIEISA-N 1 0 392.706 2.807 20 0 GFADRO COCCOc1ccc(NC(=O)N2C[C@@H](SC)[C@@H]([NH+](C)C)C2)cc1Cl ZINC000497679400 564873938 /nfs/dbraw/zinc/87/39/38/564873938.db2.gz PSSKSZALSZETJU-GOEBONIOSA-N 1 0 387.933 2.875 20 0 GFADRO CC(C)c1nc(S(=O)(=O)NC[C@H](c2cccs2)N2CCCC2)cn1C ZINC000583073000 564874768 /nfs/dbraw/zinc/87/47/68/564874768.db2.gz JFZPYUZEYCGDSK-CQSZACIVSA-N 1 0 382.555 2.720 20 0 GFADRO COC(=O)CC1CC[NH+](CC(=O)NCCc2cccc(Cl)c2Cl)CC1 ZINC000497729548 564874982 /nfs/dbraw/zinc/87/49/82/564874982.db2.gz FCHQZZZHWOGDJB-UHFFFAOYSA-N 1 0 387.307 2.927 20 0 GFADRO CN(C)c1nccc(C[NH2+][C@H]2CCN(c3cccc(Br)c3)C2)n1 ZINC000557791642 564877046 /nfs/dbraw/zinc/87/70/46/564877046.db2.gz IATRBDZGVJUHEH-HNNXBMFYSA-N 1 0 376.302 2.674 20 0 GFADRO CO[C@@H]([C@@H](C)[NH2+]C[C@H](O)COc1cc(F)cc(Br)c1)C1CC1 ZINC000583140054 564877539 /nfs/dbraw/zinc/87/75/39/564877539.db2.gz JXXURAMKOHOPKD-OOVXXXAESA-N 1 0 376.266 2.731 20 0 GFADRO C[NH+](C)[C@@H]1CCCN(S(=O)(=O)c2cc(Br)cc3cccnc32)C1 ZINC000557825244 564878729 /nfs/dbraw/zinc/87/87/29/564878729.db2.gz CWOSCOZUVMPYBD-CQSZACIVSA-N 1 0 398.326 2.712 20 0 GFADRO CC[C@H]1C[N@H+](C)CCN1C(=O)C[C@H](NC(C)=O)c1ccc(Br)cc1 ZINC000557920402 564885642 /nfs/dbraw/zinc/88/56/42/564885642.db2.gz VGTSTLJDANKROI-IRXDYDNUSA-N 1 0 396.329 2.569 20 0 GFADRO Cn1cc(C[C@@H]2CC[N@H+](Cc3cc4c(cc3Br)OCO4)C2)cn1 ZINC000530627053 564889519 /nfs/dbraw/zinc/88/95/19/564889519.db2.gz BYNYTCYDNFVYNU-LBPRGKRZSA-N 1 0 378.270 2.976 20 0 GFADRO Cc1cc(Cc2cnc(NC(=O)NC3C[NH2+]C3)s2)ccc1Br ZINC000583429088 564891062 /nfs/dbraw/zinc/89/10/62/564891062.db2.gz DIXOMXIFWVKDST-UHFFFAOYSA-N 1 0 381.299 2.898 20 0 GFADRO CO[C@@H]1CCN(C(=O)N[C@@H]2C[C@H]2c2ccc(Br)s2)[C@@H](C[NH3+])C1 ZINC000583430524 564891322 /nfs/dbraw/zinc/89/13/22/564891322.db2.gz FKMKGRQNVHDABV-DDHJBXDOSA-N 1 0 388.331 2.514 20 0 GFADRO CN(C)C(=O)CCC[NH+]1CCC(C(=O)Nc2ccccc2Br)CC1 ZINC000583448812 564891863 /nfs/dbraw/zinc/89/18/63/564891863.db2.gz QDZNSCYHNBDVRY-UHFFFAOYSA-N 1 0 396.329 2.968 20 0 GFADRO C[C@]1([NH3+])CCCC[C@H]1C(=O)NCCCNC(=O)c1cccc(Br)c1 ZINC000498207798 564891978 /nfs/dbraw/zinc/89/19/78/564891978.db2.gz KFVKCLZDLIBAEN-YJBOKZPZSA-N 1 0 396.329 2.593 20 0 GFADRO CC[N@@H+]1C[C@H](C)N(C(=O)NCc2cn3cc(Br)ccc3n2)C[C@H]1C ZINC000498249529 564893595 /nfs/dbraw/zinc/89/35/95/564893595.db2.gz FDTFSEPKFULXNI-OLZOCXBDSA-N 1 0 394.317 2.721 20 0 GFADRO O=C(NCCC[C@H]1CCC[NH2+]1)[C@H]1CCN(c2cc(Cl)ccc2Cl)C1=O ZINC000583499116 564895040 /nfs/dbraw/zinc/89/50/40/564895040.db2.gz POUZIUPRWJUWPP-ZIAGYGMSSA-N 1 0 384.307 2.995 20 0 GFADRO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)c2[nH]nc(C3CC3)c2Br)C1 ZINC000530819811 564896181 /nfs/dbraw/zinc/89/61/81/564896181.db2.gz HKBXTBSZCQPWLS-GFCCVEGCSA-N 1 0 381.318 2.854 20 0 GFADRO Cc1cc(N2C[C@H](C(=O)NCCCC[NH+](C)C)CC2=O)ccc1Br ZINC000498377206 564897588 /nfs/dbraw/zinc/89/75/88/564897588.db2.gz QMGJLDYFSGIDOQ-CQSZACIVSA-N 1 0 396.329 2.568 20 0 GFADRO O=S(=O)(NCCC[C@H]1CCC[NH2+]1)c1cccc(Cl)c1Br ZINC000583564239 564897681 /nfs/dbraw/zinc/89/76/81/564897681.db2.gz HJUYKFZPNMZVTP-SNVBAGLBSA-N 1 0 381.723 2.913 20 0 GFADRO C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@H]2COc3c2ccc(Cl)c3Cl)[C@H](C)C1 ZINC000498415485 564897883 /nfs/dbraw/zinc/89/78/83/564897883.db2.gz QXNSTLHWOCQLJB-SUNKGSAMSA-N 1 0 388.295 2.523 20 0 GFADRO C[C@@H]1CC[N@H+](CCNC(=O)C(=O)Nc2ccc(C(F)(F)F)cc2Cl)C1 ZINC000531044222 564899768 /nfs/dbraw/zinc/89/97/68/564899768.db2.gz GDEOUPNCWWYBDG-SNVBAGLBSA-N 1 0 377.794 2.755 20 0 GFADRO CC(C)[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)NCc1ccc(C[NH3+])cc1 ZINC000583694790 564903453 /nfs/dbraw/zinc/90/34/53/564903453.db2.gz OKBBYOSWFSAKPA-MRXNPFEDSA-N 1 0 379.913 2.931 20 0 GFADRO CC(C)(O)C[N@H+](C[C@@H](O)COc1c(Cl)cccc1Cl)C1CCOCC1 ZINC000531177276 564903811 /nfs/dbraw/zinc/90/38/11/564903811.db2.gz APBJEBOHHKWJQR-CQSZACIVSA-N 1 0 392.323 2.985 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C(=O)N1CCCC[C@@H]1C[NH3+] ZINC000583751503 564905835 /nfs/dbraw/zinc/90/58/35/564905835.db2.gz AMBCVWGMRGVJPW-OAHLLOKOSA-N 1 0 377.286 2.897 20 0 GFADRO Cc1cc(CS(=O)(=O)NC[C@@H](c2cccs2)[NH+]2CCC(C)CC2)on1 ZINC000531382951 564908445 /nfs/dbraw/zinc/90/84/45/564908445.db2.gz QYINBLGAODOOKA-INIZCTEOSA-N 1 0 383.539 2.937 20 0 GFADRO C[C@@H](NC(=O)NCC[NH+]1CCC1)c1nc(-c2ccc(Br)cc2)no1 ZINC000558644676 564909915 /nfs/dbraw/zinc/90/99/15/564909915.db2.gz RLIIWICCUXARBL-LLVKDONJSA-N 1 0 394.273 2.565 20 0 GFADRO O=C(COc1cc(Cl)c(Cl)cc1Cl)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000583870301 564911039 /nfs/dbraw/zinc/91/10/39/564911039.db2.gz JJLJPJJRMDYTRU-NSHDSACASA-N 1 0 392.714 2.532 20 0 GFADRO COC(=O)c1cc(C[NH2+]C[C@@H](O)COc2cccc(Cl)c2Cl)cn1C ZINC000583961519 564913976 /nfs/dbraw/zinc/91/39/76/564913976.db2.gz DOUXUBMSSYIOMA-GFCCVEGCSA-N 1 0 387.263 2.648 20 0 GFADRO C[C@@H]1C[C@@H]([NH2+]CCNC(=O)c2cnccn2)c2cccc(Br)c21 ZINC000531708775 564918280 /nfs/dbraw/zinc/91/82/80/564918280.db2.gz ZGIFFOUAIMCMJI-BXUZGUMPSA-N 1 0 375.270 2.807 20 0 GFADRO C[C@H]1C[C@H]([NH2+]CCNC(=O)c2cnccn2)c2cccc(Br)c21 ZINC000531708776 564918456 /nfs/dbraw/zinc/91/84/56/564918456.db2.gz ZGIFFOUAIMCMJI-FZMZJTMJSA-N 1 0 375.270 2.807 20 0 GFADRO CN(Cc1ccccc1Br)C(=O)C[N@@H+]1CCC[C@H]2COCC[C@H]21 ZINC000464858498 564919884 /nfs/dbraw/zinc/91/98/84/564919884.db2.gz WXEUGHKTWMRPTF-DOTOQJQBSA-N 1 0 381.314 2.908 20 0 GFADRO C[C@@H](C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1)[N@@H+]1C[C@H](C)[C@H](C)C1 ZINC000464853524 564919950 /nfs/dbraw/zinc/91/99/50/564919950.db2.gz SDHGOIVZPQXPBJ-XQQFMLRXSA-N 1 0 387.933 2.505 20 0 GFADRO CN(C)c1ncc(Br)cc1C(=O)NCCC[NH+]1CCCCCC1 ZINC000499278055 564922972 /nfs/dbraw/zinc/92/29/72/564922972.db2.gz XWJKRRMXXSXMOJ-UHFFFAOYSA-N 1 0 383.334 2.906 20 0 GFADRO C[C@H]1C[C@@H](N(C)S(=O)(=O)c2c(F)cccc2OC(F)(F)F)CC[N@@H+]1C ZINC000584164114 564923306 /nfs/dbraw/zinc/92/33/06/564923306.db2.gz FWHQXSQTYBREDG-QWRGUYRKSA-N 1 0 384.395 2.828 20 0 GFADRO CC[NH+](CC)CCOCCNC(=O)c1cc(Br)cc(N(C)C)c1 ZINC000499428036 564926898 /nfs/dbraw/zinc/92/68/98/564926898.db2.gz PFMPIUJCROTWJP-UHFFFAOYSA-N 1 0 386.334 2.603 20 0 GFADRO CCNC(=O)[C@@H]([NH2+]Cc1cnn(-c2ccc(Br)cc2)c1)C(C)C ZINC000559314600 564929999 /nfs/dbraw/zinc/92/99/99/564929999.db2.gz SXNUKUBQUMLYAC-INIZCTEOSA-N 1 0 379.302 2.885 20 0 GFADRO Cc1cc(NC(=O)c2ccncc2Br)n(C2CC[NH+](C)CC2)n1 ZINC000532164015 564930878 /nfs/dbraw/zinc/93/08/78/564930878.db2.gz JUMZTLLGRHCZND-UHFFFAOYSA-N 1 0 378.274 2.868 20 0 GFADRO COCC[N@H+](C)CCCNC(=O)N[C@@H]1COc2c1ccc(Cl)c2Cl ZINC000465703515 564931569 /nfs/dbraw/zinc/93/15/69/564931569.db2.gz ZSSLFKPJQWKOFW-CYBMUJFWSA-N 1 0 376.284 2.694 20 0 GFADRO Cc1[nH]nc2ncc(C[NH2+]C[C@@H](O)COc3ccccc3Br)cc12 ZINC000532213030 564932518 /nfs/dbraw/zinc/93/25/18/564932518.db2.gz PPYXCVWVYUUIJC-CYBMUJFWSA-N 1 0 391.269 2.558 20 0 GFADRO C[C@H]1C[C@@H](NCc2cn(-c3ccccc3Br)nn2)C[N@@H+]1C1CC1 ZINC000499688136 564933669 /nfs/dbraw/zinc/93/36/69/564933669.db2.gz UFSYIQBPWUYWQF-QWHCGFSZSA-N 1 0 376.302 2.745 20 0 GFADRO CC(C)[C@@H]1C[N@H+](Cc2cc(=O)n3cc(Br)ccc3n2)CCCO1 ZINC000559498706 564934097 /nfs/dbraw/zinc/93/40/97/564934097.db2.gz XZAIOPLDVDKVIF-HNNXBMFYSA-N 1 0 380.286 2.704 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CNC(=O)N[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000465931534 564934316 /nfs/dbraw/zinc/93/43/16/564934316.db2.gz GRXOLOKJCUVMNM-WBVHZDCISA-N 1 0 395.345 2.811 20 0 GFADRO C[C@@H](CNC(=O)N(C)CC[NH+]1CCCC1)Oc1cccc(Br)c1 ZINC000466307571 564937708 /nfs/dbraw/zinc/93/77/08/564937708.db2.gz NUZUTKBTAVBGEC-AWEZNQCLSA-N 1 0 384.318 2.954 20 0 GFADRO C[C@@H](CNC(=O)N1CC[C@H]([NH+]2CC=CC2)C1)Oc1ccc(Br)cc1 ZINC000466375503 564938847 /nfs/dbraw/zinc/93/88/47/564938847.db2.gz UICKCGMTTXKUCS-HOCLYGCPSA-N 1 0 394.313 2.872 20 0 GFADRO C[C@@H](CNC(=O)N1CC[N@H+](C)CC[C@H]1C)Oc1ccc(Br)cc1 ZINC000466380734 564939826 /nfs/dbraw/zinc/93/98/26/564939826.db2.gz OZEMCBXXQUIDAA-KGLIPLIRSA-N 1 0 384.318 2.952 20 0 GFADRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)COc1c(Cl)cccc1Cl ZINC000499923791 564940131 /nfs/dbraw/zinc/94/01/31/564940131.db2.gz VWWMTZJPYRWIJG-ZDUSSCGKSA-N 1 0 375.296 2.941 20 0 GFADRO COc1ccc(Br)c(C(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)c1 ZINC000499920413 564940450 /nfs/dbraw/zinc/94/04/50/564940450.db2.gz KQRSUHHKGMAITC-AWEZNQCLSA-N 1 0 385.302 2.641 20 0 GFADRO CS(=O)(=O)C[C@H]([NH2+]Cc1cnn(-c2ccc(Br)cc2)c1)C1CC1 ZINC000559902051 564941364 /nfs/dbraw/zinc/94/13/64/564941364.db2.gz QBEGWWSCWWNKQU-INIZCTEOSA-N 1 0 398.326 2.548 20 0 GFADRO C[C@@H](CNC(=O)C(=O)Nc1ccc(Br)c2ccccc12)C[NH+](C)C ZINC000559972033 564943177 /nfs/dbraw/zinc/94/31/77/564943177.db2.gz CZNTUTAUSCUREW-LBPRGKRZSA-N 1 0 392.297 2.855 20 0 GFADRO Cc1ccc(-c2csc(NC(=O)C(=O)N3CC[N@@H+](C)CC[C@H]3C)n2)s1 ZINC000500030956 564943287 /nfs/dbraw/zinc/94/32/87/564943287.db2.gz FJJDQTUPCDZNQU-LLVKDONJSA-N 1 0 378.523 2.671 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CNC(=O)c1cccc(F)c1I ZINC000532755425 564943999 /nfs/dbraw/zinc/94/39/99/564943999.db2.gz IFOXMYMVVIZBLB-JTQLQIEISA-N 1 0 376.213 2.644 20 0 GFADRO CC(C)[C@H](CNS(=O)(=O)CCC(F)(F)F)[N@@H+]1CCc2ccccc2C1 ZINC000560042278 564946507 /nfs/dbraw/zinc/94/65/07/564946507.db2.gz SKWVPLWIKUGAPC-INIZCTEOSA-N 1 0 378.460 2.941 20 0 GFADRO C[NH+](C)CCN(CCCc1ccccc1)S(=O)(=O)c1cncc(Cl)c1 ZINC000532854077 564947409 /nfs/dbraw/zinc/94/74/09/564947409.db2.gz BPZSHMBBBUYIBB-UHFFFAOYSA-N 1 0 381.929 2.920 20 0 GFADRO Cc1cc(NC(=O)NC[C@H](c2ccsc2)[NH+](C)C)ccc1S(C)(=O)=O ZINC000500229289 564949063 /nfs/dbraw/zinc/94/90/63/564949063.db2.gz FCRVRUFMKFGOEC-OAHLLOKOSA-N 1 0 381.523 2.884 20 0 GFADRO COc1cc(C[NH2+][C@@H]2CCO[C@H](c3nccn3C)C2)cc(Br)c1O ZINC000560126263 564950835 /nfs/dbraw/zinc/95/08/35/564950835.db2.gz VOVCCPWHPGONBI-DOMZBBRYSA-N 1 0 396.285 2.907 20 0 GFADRO Cc1cc(NC(=O)C[NH2+]Cc2ccc(C(N)=O)cc2)ccc1Br ZINC000560137325 564951546 /nfs/dbraw/zinc/95/15/46/564951546.db2.gz IGPGJIQIKBHSKP-UHFFFAOYSA-N 1 0 376.254 2.585 20 0 GFADRO C[C@H]1CCNC(=O)[C@H]1[NH2+]Cc1ccc(I)cc1Cl ZINC000500376051 564951841 /nfs/dbraw/zinc/95/18/41/564951841.db2.gz KDDKKXWJKHOOCS-UFBFGSQYSA-N 1 0 378.641 2.559 20 0 GFADRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1cnn(-c2ccc(Br)cc2)c1 ZINC000467024512 564953298 /nfs/dbraw/zinc/95/32/98/564953298.db2.gz PBCPKZLTDHBMCT-YVEFUNNKSA-N 1 0 389.297 2.847 20 0 GFADRO COc1ccc(CCC(=O)N[C@H]2C[N@@H+](C3CC3)C[C@H]2C)cc1Br ZINC000467027883 564953531 /nfs/dbraw/zinc/95/35/31/564953531.db2.gz CXWYLWAJZIRQSR-WBMJQRKESA-N 1 0 381.314 2.989 20 0 GFADRO COC(=O)c1ccc(C[NH2+][C@H]2CCC[C@@H](C(=O)N(C)C)C2)c(Br)c1 ZINC000560243356 564954099 /nfs/dbraw/zinc/95/40/99/564954099.db2.gz IJDCKYGVIVXOEA-DOMZBBRYSA-N 1 0 397.313 2.972 20 0 GFADRO CS(=O)(=O)NC[C@H]1CCC[C@@H]1[NH2+]Cc1c[nH]nc1-c1cccc(Cl)c1 ZINC000500465056 564954177 /nfs/dbraw/zinc/95/41/77/564954177.db2.gz UYFKQABFPAZGIB-CJNGLKHVSA-N 1 0 382.917 2.538 20 0 GFADRO C[C@H](C[NH2+][C@@H]1CCC[C@@H]1CNS(C)(=O)=O)c1cccc(Br)c1 ZINC000500497441 564955072 /nfs/dbraw/zinc/95/50/72/564955072.db2.gz KINKHXVXERSMKQ-XNRPHZJLSA-N 1 0 389.359 2.860 20 0 GFADRO C[NH+](C)CCN(Cc1ccc(F)c(F)c1)S(=O)(=O)c1cncc(Cl)c1 ZINC000533174686 564957035 /nfs/dbraw/zinc/95/70/35/564957035.db2.gz AOKFZRDFFYXPSH-UHFFFAOYSA-N 1 0 389.855 2.766 20 0 GFADRO C[N@H+](CC[C@H]1CCCO1)CC(=O)Nc1ccccc1I ZINC000467131722 564957083 /nfs/dbraw/zinc/95/70/83/564957083.db2.gz NTFZCEQXZHAYJF-GFCCVEGCSA-N 1 0 388.249 2.731 20 0 GFADRO CS(=O)(=O)NC[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(Cl)cc1Br ZINC000500550561 564957322 /nfs/dbraw/zinc/95/73/22/564957322.db2.gz ZOSIGICBSQEWJN-RISCZKNCSA-N 1 0 395.750 2.910 20 0 GFADRO C[C@@H](CNC(=O)C(=O)Nc1cc(Cl)cc(Br)c1)[NH+]1CCCC1 ZINC000560359582 564958675 /nfs/dbraw/zinc/95/86/75/564958675.db2.gz OITSRBRDZPJZAG-JTQLQIEISA-N 1 0 388.693 2.642 20 0 GFADRO C[C@H]([NH2+]Cc1ccc(S(=O)(=O)N2CCOCC2)s1)C1C(C)(C)C1(C)C ZINC000533331595 564960635 /nfs/dbraw/zinc/96/06/35/564960635.db2.gz SOXQXOQEJHQMNF-ZDUSSCGKSA-N 1 0 386.583 2.929 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)C[N@H+](CC(C)(C)O)C1CCOCC1 ZINC000533345376 564961182 /nfs/dbraw/zinc/96/11/82/564961182.db2.gz COUMECLITADBDJ-UHFFFAOYSA-N 1 0 399.329 2.948 20 0 GFADRO COC(=O)CN(C)C(=O)CC[NH2+]C1(c2ccc(Br)cc2)CCCC1 ZINC000533350627 564961374 /nfs/dbraw/zinc/96/13/74/564961374.db2.gz JLPIHOPTGDVHRP-UHFFFAOYSA-N 1 0 397.313 2.830 20 0 GFADRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)CCCS(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000560456325 564963327 /nfs/dbraw/zinc/96/33/27/564963327.db2.gz MFWGIQDNDZRBJC-HNNXBMFYSA-N 1 0 386.945 2.740 20 0 GFADRO COCC[C@@H](CO)[NH2+][C@@H](C)CCc1ccc(I)cc1 ZINC000467445364 564963459 /nfs/dbraw/zinc/96/34/59/564963459.db2.gz AGGLWWRSNNAVLT-WFASDCNBSA-N 1 0 377.266 2.599 20 0 GFADRO C[C@H](Cn1cc(Br)cn1)[NH2+][C@H]1CC(=O)N(Cc2ccccc2)[C@@H]1C ZINC000467435402 564963681 /nfs/dbraw/zinc/96/36/81/564963681.db2.gz SHBWYPXVBUXXBC-CPUCHLNUSA-N 1 0 391.313 2.813 20 0 GFADRO COC(=O)CC1([NH2+]CC(=O)Nc2ccc(Br)cn2)CCCCC1 ZINC000533527020 564963914 /nfs/dbraw/zinc/96/39/14/564963914.db2.gz JIZKLEADYPRCCZ-UHFFFAOYSA-N 1 0 384.274 2.638 20 0 GFADRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1cccc(F)c1I ZINC000533536011 564965029 /nfs/dbraw/zinc/96/50/29/564965029.db2.gz XSGHEJDVBMYGGD-TVQRCGJNSA-N 1 0 388.224 2.643 20 0 GFADRO CCOc1c(Cl)cc(NC(=O)C(=O)NC2CC[NH+](CC)CC2)cc1Cl ZINC000467505064 564965644 /nfs/dbraw/zinc/96/56/44/564965644.db2.gz NMSIHXSVKUMIJL-UHFFFAOYSA-N 1 0 388.295 2.931 20 0 GFADRO O=C(CNCc1ccc(Br)c(F)c1)NCC[NH+]1CCCCCC1 ZINC000560545410 564967137 /nfs/dbraw/zinc/96/71/37/564967137.db2.gz LVTJGLRGDBGPIZ-UHFFFAOYSA-N 1 0 386.309 2.670 20 0 GFADRO O=C(NCc1ccc(Br)cc1Cl)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O ZINC000467701529 564970388 /nfs/dbraw/zinc/97/03/88/564970388.db2.gz WEFZWHNNLMUFKN-YOGCLGLASA-N 1 0 385.689 2.533 20 0 GFADRO CCCS(=O)(=O)Nc1cc(NC(=O)[C@]2(CC)CCC[NH2+]2)c(F)cc1F ZINC000467693100 564970413 /nfs/dbraw/zinc/97/04/13/564970413.db2.gz ABKCWRQTFRWXDN-INIZCTEOSA-N 1 0 375.441 2.587 20 0 GFADRO CC1(C)COCCN1CC[NH2+]Cc1cn(-c2ccc(Cl)cc2Cl)nn1 ZINC000533756720 564971999 /nfs/dbraw/zinc/97/19/99/564971999.db2.gz QBZXZCCMSAHHQR-UHFFFAOYSA-N 1 0 384.311 2.775 20 0 GFADRO COc1ccc([C@@H](C)NC(=O)NCCNc2cc[nH+]cc2)cc1Br ZINC000533811916 564973625 /nfs/dbraw/zinc/97/36/25/564973625.db2.gz LHQVGUXUYUVBCJ-GFCCVEGCSA-N 1 0 393.285 2.747 20 0 GFADRO CC[NH+](CC)CCN(CCOC)C(=O)c1cc(OC)c(Br)s1 ZINC000533943656 564976683 /nfs/dbraw/zinc/97/66/83/564976683.db2.gz YVVZGSNDNXUCBH-UHFFFAOYSA-N 1 0 393.347 2.950 20 0 GFADRO CN1CCN(C(=O)Nc2cccc(Cl)c2SCC(F)F)[C@@H](C[NH3+])C1 ZINC000560979226 564980165 /nfs/dbraw/zinc/98/01/65/564980165.db2.gz XXXHOFRTZSYDIF-JTQLQIEISA-N 1 0 378.876 2.804 20 0 GFADRO [NH3+]C[C@@H]1CCCN(C(=O)Nc2cccc(F)c2I)C1 ZINC000561008304 564981099 /nfs/dbraw/zinc/98/10/99/564981099.db2.gz KRVZSKGVUARUCG-VIFPVBQESA-N 1 0 377.201 2.633 20 0 GFADRO C[NH+](C)Cc1ccc(CNS(=O)(=O)c2ccc(F)c(F)c2F)cc1F ZINC000534239374 564982710 /nfs/dbraw/zinc/98/27/10/564982710.db2.gz LOYYIXXQIPKIIM-UHFFFAOYSA-N 1 0 376.375 2.783 20 0 GFADRO COCCCCS(=O)(=O)N(CC[NH+]1CCCC1)Cc1ccc(Cl)cc1 ZINC000468422671 564983619 /nfs/dbraw/zinc/98/36/19/564983619.db2.gz BMBWLABYTCPKCT-UHFFFAOYSA-N 1 0 388.961 2.994 20 0 GFADRO COC(=O)C[C@H](NC(=O)C[N@@H+]1CC[C@@H](C)C1)c1ccc(Br)cc1 ZINC000561112254 564984707 /nfs/dbraw/zinc/98/47/07/564984707.db2.gz BOTCGYSAKINDOR-DOMZBBRYSA-N 1 0 383.286 2.511 20 0 GFADRO CCc1n[nH]c(C(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)c1Br ZINC000468508709 564984943 /nfs/dbraw/zinc/98/49/43/564984943.db2.gz VYLLYTDGUQTAFN-ZDUSSCGKSA-N 1 0 379.302 2.637 20 0 GFADRO C[N@@H+]1CCN(Cc2noc(Cc3ccc(Br)cc3)n2)C(C)(C)C1 ZINC000501818483 564986567 /nfs/dbraw/zinc/98/65/67/564986567.db2.gz OGHBKAILDNPBJM-UHFFFAOYSA-N 1 0 379.302 2.949 20 0 GFADRO CC[NH+](CC)CCO[C@@H]1CCN(S(=O)(=O)Cc2ccc(F)c(Cl)c2)C1 ZINC000534404318 564987458 /nfs/dbraw/zinc/98/74/58/564987458.db2.gz CDNKDDCLTCPZTD-OAHLLOKOSA-N 1 0 392.924 2.742 20 0 GFADRO COc1ccc(Br)cc1C(=O)CCC(=O)NC[C@H]1CCC[N@@H+]1C ZINC000502118888 564992613 /nfs/dbraw/zinc/99/26/13/564992613.db2.gz AWZJCFIVTTUPEW-CYBMUJFWSA-N 1 0 383.286 2.631 20 0 GFADRO C[C@H](NC(=O)C(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1)c1cccc(Cl)c1Cl ZINC000502300300 564995716 /nfs/dbraw/zinc/99/57/16/564995716.db2.gz YMYJZGXEFAOFOL-GRYCIOLGSA-N 1 0 384.307 2.912 20 0 GFADRO C[C@H](C[NH+]1CCOCC1)C(=O)N1CCN(c2c(Cl)cccc2Cl)CC1 ZINC000468934207 564999361 /nfs/dbraw/zinc/99/93/61/564999361.db2.gz KHFICNIBPFPPJB-CQSZACIVSA-N 1 0 386.323 2.610 20 0 GFADRO COCC[C@H]1CCC[C@@H]1[NH2+]CCNS(=O)(=O)c1ccc(Cl)cc1F ZINC000502496369 565000632 /nfs/dbraw/zinc/00/06/32/565000632.db2.gz QIJRTFHDHBBCST-DOMZBBRYSA-N 1 0 378.897 2.552 20 0 GFADRO CCN(CC[NH+]1CCCCCC1)C(=O)NCc1ccc(S(C)(=O)=O)s1 ZINC000502590384 565001717 /nfs/dbraw/zinc/00/17/17/565001717.db2.gz YWVYHKKKVACQKU-UHFFFAOYSA-N 1 0 387.571 2.559 20 0 GFADRO CC[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000561608730 565003569 /nfs/dbraw/zinc/00/35/69/565003569.db2.gz HYNOCJUVTVXSAB-HUUCEWRRSA-N 1 0 386.323 2.593 20 0 GFADRO Cc1ccc(CS(=O)(=O)NCC2([NH+]3CCSCC3)CCCC2)cc1F ZINC000469052902 565004090 /nfs/dbraw/zinc/00/40/90/565004090.db2.gz UNNJKLBNACMVJG-UHFFFAOYSA-N 1 0 386.558 2.915 20 0 GFADRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)CCOc3ccccc3Br)[C@H]2C1 ZINC000502729613 565004564 /nfs/dbraw/zinc/00/45/64/565004564.db2.gz VLRRWDZURVDFPP-DOTOQJQBSA-N 1 0 397.313 2.540 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)c1cc[nH]c(=O)c1Br)c1ccc(F)cc1 ZINC000469102402 565005540 /nfs/dbraw/zinc/00/55/40/565005540.db2.gz XCHOJOOTRQONEK-CYBMUJFWSA-N 1 0 382.233 2.722 20 0 GFADRO CS(=O)(=O)[C@@H]1CCC[N@H+](C[C@H](O)Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000502823089 565005959 /nfs/dbraw/zinc/00/59/59/565005959.db2.gz FABLUPRWCUFSFD-HZPDHXFCSA-N 1 0 379.444 2.508 20 0 GFADRO C[C@@H]1CN(CCN(C)C(=O)CCOc2ccccc2Br)C[C@H](C)O1 ZINC000469142716 565006820 /nfs/dbraw/zinc/00/68/20/565006820.db2.gz KPYCKGYRWJOHMP-GASCZTMLSA-N 1 0 399.329 2.786 20 0 GFADRO C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)NCCCc2ccc(Cl)cc2Cl)C1 ZINC000561757554 565007782 /nfs/dbraw/zinc/00/77/82/565007782.db2.gz KQFNXMNDUSUMJP-OAHLLOKOSA-N 1 0 386.323 2.595 20 0 GFADRO C[C@H]1C[C@H]1[N@@H+]1CCN(C(=O)Cc2ccc(Br)cc2O)C[C@@H](C)C1 ZINC000561762373 565008069 /nfs/dbraw/zinc/00/80/69/565008069.db2.gz SRTHEBJFXSAQKX-HEHGZKQESA-N 1 0 381.314 2.886 20 0 GFADRO COc1cccc(N2CC[C@@H]([NH2+][C@H](C)Cn3cc(Br)cn3)C2)c1 ZINC000469181356 565008486 /nfs/dbraw/zinc/00/84/86/565008486.db2.gz YTJROLPCZSRSEQ-UKRRQHHQSA-N 1 0 379.302 2.911 20 0 GFADRO CC[NH+](CC)[C@H](CNS(=O)(=O)c1csc(C(=O)OC)c1)CC(C)C ZINC000469252972 565010656 /nfs/dbraw/zinc/01/06/56/565010656.db2.gz XDLNMDLMZMUHEG-ZDUSSCGKSA-N 1 0 376.544 2.570 20 0 GFADRO C[C@@H](CC[NH+](C)C)NC(=O)Nc1cccc(F)c1I ZINC000535465497 565013939 /nfs/dbraw/zinc/01/39/39/565013939.db2.gz ZHBUBBAITMLNFH-VIFPVBQESA-N 1 0 379.217 2.892 20 0 GFADRO COc1ccccc1NC(=O)C[C@H](C)[NH2+]Cc1ccc(S(C)(=O)=O)s1 ZINC000469335964 565014005 /nfs/dbraw/zinc/01/40/05/565014005.db2.gz MNQRQFFRBHSTOF-LBPRGKRZSA-N 1 0 382.507 2.667 20 0 GFADRO CN(C)S(=O)(=O)N1CCCC[C@H]1C[NH2+]CCCc1c(F)cccc1Cl ZINC000561983081 565014494 /nfs/dbraw/zinc/01/44/94/565014494.db2.gz RLVXRLYEBIKCOS-AWEZNQCLSA-N 1 0 391.940 2.662 20 0 GFADRO CC[C@H](C)[N@H+](C)CCNS(=O)(=O)c1cc(Cl)ccc1O[C@H](C)COC ZINC000469364583 565014704 /nfs/dbraw/zinc/01/47/04/565014704.db2.gz PUAJZVDWPIKEPD-UONOGXRCSA-N 1 0 392.949 2.762 20 0 GFADRO O=C(Nc1c[nH]cc(Br)c1=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000535562660 565015654 /nfs/dbraw/zinc/01/56/54/565015654.db2.gz OKYOYOSESAJXDM-AWEZNQCLSA-N 1 0 390.281 2.988 20 0 GFADRO O=S(=O)(C1CC1)N1CCC[N@@H+](CCn2ccc3cc(Cl)ccc32)CC1 ZINC000562045893 565016160 /nfs/dbraw/zinc/01/61/60/565016160.db2.gz DWQXAJPCOTYWBF-UHFFFAOYSA-N 1 0 381.929 2.795 20 0 GFADRO CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3cn4ccc(Br)cc4n3)[C@H]2C1 ZINC000562078638 565017372 /nfs/dbraw/zinc/01/73/72/565017372.db2.gz QHKGKKXOJCBNJW-RRQGHBQHSA-N 1 0 391.313 2.833 20 0 GFADRO C[N@H+](CCNCc1cn(-c2ccccc2Br)nn1)C1CCCC1 ZINC000562068208 565017385 /nfs/dbraw/zinc/01/73/85/565017385.db2.gz LKKFPJCEQXSQSJ-UHFFFAOYSA-N 1 0 378.318 2.994 20 0 GFADRO CCCNC(=O)NC(=O)C[NH+]1CCC(c2ccc(Br)cc2)CC1 ZINC000503394463 565018590 /nfs/dbraw/zinc/01/85/90/565018590.db2.gz SCBWLQVXCVKKSH-UHFFFAOYSA-N 1 0 382.302 2.864 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)[C@H](c1ccc(Br)cc1)N1CCCC1 ZINC000503411675 565018874 /nfs/dbraw/zinc/01/88/74/565018874.db2.gz QJXCIFLPNJHPDD-AEFFLSMTSA-N 1 0 392.341 2.939 20 0 GFADRO O=C(CNC(=O)c1cc2cc(Cl)sc2[nH]1)NCC[NH+]1CCCCCC1 ZINC000562184413 565019750 /nfs/dbraw/zinc/01/97/50/565019750.db2.gz VILJFMGGTGXDQA-UHFFFAOYSA-N 1 0 382.917 2.605 20 0 GFADRO C[C@H](NC(=O)[C@H]1CC(=O)Nc2ccc(Br)cc21)C(C)(C)C[NH+](C)C ZINC000469576648 565020888 /nfs/dbraw/zinc/02/08/88/565020888.db2.gz OAMGCORHHFHDKK-FZMZJTMJSA-N 1 0 396.329 2.967 20 0 GFADRO COc1cc[nH+]c(N2CCN(C(=O)c3ccc(Cl)c(N)c3Cl)CC2)c1 ZINC000469652860 565023865 /nfs/dbraw/zinc/02/38/65/565023865.db2.gz RQNIGJDGMLKVAN-UHFFFAOYSA-N 1 0 381.263 2.942 20 0 GFADRO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)c1cc[nH]c(=O)c1Br ZINC000469769719 565027429 /nfs/dbraw/zinc/02/74/29/565027429.db2.gz QQAUQQPMDHVBQQ-UHFFFAOYSA-N 1 0 391.269 2.591 20 0 GFADRO C[C@H](NC(=O)NCC1([NH+](C)C)CCCCC1)c1ncc(Br)cn1 ZINC000562400114 565027676 /nfs/dbraw/zinc/02/76/76/565027676.db2.gz OYPUPPICGZSOSD-LBPRGKRZSA-N 1 0 384.322 2.864 20 0 GFADRO CO[C@@H]1CCN(Cc2cn(-c3ccc(Br)cc3)nc2C)[C@@H](C[NH3+])C1 ZINC000469885723 565030832 /nfs/dbraw/zinc/03/08/32/565030832.db2.gz UXWRZNOSKAUEEG-QZTJIDSGSA-N 1 0 393.329 2.881 20 0 GFADRO COCCn1cc(C[NH2+][C@H](C)c2ccc(I)cc2)cn1 ZINC000503912551 565030974 /nfs/dbraw/zinc/03/09/74/565030974.db2.gz RUPSJFXDGYJVQL-GFCCVEGCSA-N 1 0 385.249 2.985 20 0 GFADRO O[C@@H]1C[C@H]([C@@H]2CCCOC2)[N@H+](Cc2cc3c(cc2Br)OCCO3)C1 ZINC000562543384 565032153 /nfs/dbraw/zinc/03/21/53/565032153.db2.gz LKHRXNNFFUEQMM-XNRPHZJLSA-N 1 0 398.297 2.582 20 0 GFADRO O=S1(=O)CCC[C@H](C[NH2+]Cc2ccnc3c(Br)cccc23)C1 ZINC000562522011 565032381 /nfs/dbraw/zinc/03/23/81/565032381.db2.gz CNCHRHVTMSCVDP-GFCCVEGCSA-N 1 0 383.311 2.912 20 0 GFADRO CC1CC[NH+](CCCNC(=O)N[C@H](CO)c2ccc(Br)cc2)CC1 ZINC000504080563 565035061 /nfs/dbraw/zinc/03/50/61/565035061.db2.gz IXWWZUCYLPKCOD-QGZVFWFLSA-N 1 0 398.345 2.904 20 0 GFADRO COCC[C@H](Cc1cccc(Br)c1)C(=O)N1C[C@@H](C[NH3+])C[C@@H]1C ZINC000504184659 565036453 /nfs/dbraw/zinc/03/64/53/565036453.db2.gz AEVLZHOBRLBSNA-NUEKZKHPSA-N 1 0 383.330 2.840 20 0 GFADRO C[C@H](CO)[N@@H+]1CCCN(C(=O)CCOc2ccc(Cl)cc2Cl)CC1 ZINC000470055941 565036510 /nfs/dbraw/zinc/03/65/10/565036510.db2.gz LBWDEULFBLARKO-CYBMUJFWSA-N 1 0 375.296 2.677 20 0 GFADRO C[C@H](Cn1cc(Br)cn1)[NH2+][C@H](CC(=O)N(C)C)c1ccccc1 ZINC000470173427 565040359 /nfs/dbraw/zinc/04/03/59/565040359.db2.gz LIXVQWBGBISXOA-CZUORRHYSA-N 1 0 379.302 2.843 20 0 GFADRO CN(C(=O)Nc1ccc(I)cc1Cl)[C@@H]1CC[NH2+]C1 ZINC000562745200 565041337 /nfs/dbraw/zinc/04/13/37/565041337.db2.gz ADBJLQPUWNYPFQ-SECBINFHSA-N 1 0 379.629 2.770 20 0 GFADRO C[C@@H](Cn1cc(Br)cn1)[NH2+]C[C@@H](Cc1ccccc1Cl)C(N)=O ZINC000470297795 565042127 /nfs/dbraw/zinc/04/21/27/565042127.db2.gz KHOQZKVVRNJIOV-WCQYABFASA-N 1 0 399.720 2.621 20 0 GFADRO O=C(N[C@H](CO)c1ccc(Br)cc1)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000504806596 565044581 /nfs/dbraw/zinc/04/45/81/565044581.db2.gz QRNFIALKLKKQML-DOTOQJQBSA-N 1 0 396.329 2.799 20 0 GFADRO CC[NH+]1CCC(CCNC(=O)N[C@H](CO)c2ccc(Br)cc2)CC1 ZINC000504819626 565044975 /nfs/dbraw/zinc/04/49/75/565044975.db2.gz OXACUEJJTWYDNA-QGZVFWFLSA-N 1 0 398.345 2.904 20 0 GFADRO FC(F)(F)COCCC[NH2+]Cc1ncc(I)s1 ZINC000562853259 565045625 /nfs/dbraw/zinc/04/56/25/565045625.db2.gz YRSQEVOFVPFGLX-UHFFFAOYSA-N 1 0 380.173 2.806 20 0 GFADRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1CC(=O)Nc1c(F)cc(F)cc1Br ZINC000536740626 565046752 /nfs/dbraw/zinc/04/67/52/565046752.db2.gz DUIKONRIXTWXSA-NXEZZACHSA-N 1 0 376.245 2.690 20 0 GFADRO COCC[C@@H](Cc1cccc(Br)c1)C(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000470454363 565046977 /nfs/dbraw/zinc/04/69/77/565046977.db2.gz WXLCNQPLSHRBTG-YESZJQIVSA-N 1 0 395.341 2.664 20 0 GFADRO Cc1ccccc1[C@H]([C@H](C)NC(=O)c1nn(C)cc1Br)[NH+](C)C ZINC000504991720 565047871 /nfs/dbraw/zinc/04/78/71/565047871.db2.gz NUWKHJGFLAIJFP-LRDDRELGSA-N 1 0 379.302 2.912 20 0 GFADRO Cc1nc(-c2ccccc2F)sc1[C@@H](C)[NH2+]C[C@H]1CS(=O)(=O)CCO1 ZINC000536841958 565048142 /nfs/dbraw/zinc/04/81/42/565048142.db2.gz ZIKWYMREBRNGRY-YPMHNXCESA-N 1 0 384.498 2.722 20 0 GFADRO C[C@@H]1C[C@@H](C)N(C(=O)c2c(F)cccc2I)C[C@@H]1C[NH3+] ZINC000562980784 565050732 /nfs/dbraw/zinc/05/07/32/565050732.db2.gz LMHNGDVPOMFJGA-MXWKQRLJSA-N 1 0 390.240 2.876 20 0 GFADRO Cc1cc(NC(=O)C[C@@H]2CSCC[NH2+]2)nn1-c1ccc(Cl)c(Cl)c1 ZINC000562977662 565050787 /nfs/dbraw/zinc/05/07/87/565050787.db2.gz FPIIWCCNRKNCBB-LLVKDONJSA-N 1 0 385.320 3.521 20 0 GFADRO COc1ccc(Br)cc1C(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2 ZINC000562977321 565050834 /nfs/dbraw/zinc/05/08/34/565050834.db2.gz GWKXUSBZGKSYTA-GFCCVEGCSA-N 1 0 376.254 2.921 20 0 GFADRO O=C(c1c(F)cccc1I)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000562979366 565050840 /nfs/dbraw/zinc/05/08/40/565050840.db2.gz PXJBNMDGVDEKMO-HNNXBMFYSA-N 1 0 388.224 2.646 20 0 GFADRO O[C@H](C[NH2+]CCc1cnc(C2CC2)nc1)COc1cccc(Br)c1 ZINC000562992490 565051509 /nfs/dbraw/zinc/05/15/09/565051509.db2.gz YUDAQYOAINIGCY-MRXNPFEDSA-N 1 0 392.297 2.689 20 0 GFADRO C[C@@H]1CN(C[C@H](O)C[NH2+]Cc2cc(Cl)ccc2OC(F)F)C[C@H](C)O1 ZINC000562989255 565051548 /nfs/dbraw/zinc/05/15/48/565051548.db2.gz GFDQIFHGOBJDPZ-TYNCELHUSA-N 1 0 378.847 2.501 20 0 GFADRO COc1ncc(C[NH2+][C@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)cc1Cl ZINC000537076981 565052666 /nfs/dbraw/zinc/05/26/66/565052666.db2.gz YTSNWQRQNDDJOK-GFCCVEGCSA-N 1 0 383.901 2.845 20 0 GFADRO COc1ncc(C[NH2+][C@@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)cc1Cl ZINC000537076982 565052681 /nfs/dbraw/zinc/05/26/81/565052681.db2.gz YTSNWQRQNDDJOK-LBPRGKRZSA-N 1 0 383.901 2.845 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000563107177 565055885 /nfs/dbraw/zinc/05/58/85/565055885.db2.gz ACYQXDMCIRQPGW-ZBEGNZNMSA-N 1 0 377.286 2.671 20 0 GFADRO C[C@H](NC(=O)C1(n2cccn2)CC[NH2+]CC1)c1ccc(Br)s1 ZINC000563160562 565057541 /nfs/dbraw/zinc/05/75/41/565057541.db2.gz NNOWQPIVBVBYPE-NSHDSACASA-N 1 0 383.315 2.663 20 0 GFADRO Cc1cc(C[NH2+]Cc2ccc(S(=O)(=O)N3CCOCC3)s2)c(C)s1 ZINC000537508924 565058959 /nfs/dbraw/zinc/05/89/59/565058959.db2.gz DLXZRGFBUITMNU-UHFFFAOYSA-N 1 0 386.564 2.737 20 0 GFADRO C[C@@H]1[C@H](C)N(C(=O)[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)CC[N@H+]1C ZINC000537815001 565063667 /nfs/dbraw/zinc/06/36/67/565063667.db2.gz DZGWGNKKMXWIPG-DYEKYZERSA-N 1 0 384.307 2.897 20 0 GFADRO O=C(NCC[C@H]1CCC[NH2+]1)N1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000584341091 565076963 /nfs/dbraw/zinc/07/69/63/565076963.db2.gz SZRNRZDDOLBXMI-HZPDHXFCSA-N 1 0 382.302 2.674 20 0 GFADRO O=C(C[NH2+][C@@H](c1ccc(Br)cc1)[C@H]1CCCO1)NCC(F)F ZINC000684611546 565077045 /nfs/dbraw/zinc/07/70/45/565077045.db2.gz HDOYIXUXCBHAKX-DOMZBBRYSA-N 1 0 377.229 2.640 20 0 GFADRO CC[N@H+](CCNC(=O)C(=O)N[C@@H](C)Cc1ccc(Cl)cc1Cl)C1CC1 ZINC000584417115 565080028 /nfs/dbraw/zinc/08/00/28/565080028.db2.gz MRSPXMCNJJYVJD-LBPRGKRZSA-N 1 0 386.323 2.641 20 0 GFADRO CC[C@@H](Cc1ccccc1Br)C(=O)N1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000684845516 565084805 /nfs/dbraw/zinc/08/48/05/565084805.db2.gz RHXYQOFFLJIDDC-HNAYVOBHSA-N 1 0 397.357 2.933 20 0 GFADRO C[NH+](C)CC1(NC(=O)[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)CCC1 ZINC000684989523 565092890 /nfs/dbraw/zinc/09/28/90/565092890.db2.gz MMKOKLJETPCEEO-CYBMUJFWSA-N 1 0 384.307 2.947 20 0 GFADRO CCS(=O)(=O)c1ccc(C[NH2+]C[C@@H](O)COc2ccc(Cl)cc2)s1 ZINC000584715743 565093404 /nfs/dbraw/zinc/09/34/04/565093404.db2.gz BLMGYYZWSNTGRV-CYBMUJFWSA-N 1 0 389.926 2.725 20 0 GFADRO Brc1ccc(C[NH2+]Cc2cnn3c2CCC3)c(N2CCOCC2)c1 ZINC000657402919 565099286 /nfs/dbraw/zinc/09/92/86/565099286.db2.gz LPBLXOHOKDPZDP-UHFFFAOYSA-N 1 0 391.313 2.718 20 0 GFADRO Cc1c(Br)cncc1C[NH2+]CCNC(=O)c1c(F)cccc1F ZINC000657358873 565099330 /nfs/dbraw/zinc/09/93/30/565099330.db2.gz NNORTWAJIDPJPB-UHFFFAOYSA-N 1 0 384.224 2.950 20 0 GFADRO CCCC[N@H+](C)C[C@@H](C)NC(=O)C(=O)Nc1ccc(Br)c(C)c1 ZINC000584870178 565102605 /nfs/dbraw/zinc/10/26/05/565102605.db2.gz INQYALQRDLMUII-CYBMUJFWSA-N 1 0 384.318 2.933 20 0 GFADRO Cc1ccc(C[C@H](CO)C[NH2+]Cc2cc3n(n2)CCC3)cc1Br ZINC000657483730 565102829 /nfs/dbraw/zinc/10/28/29/565102829.db2.gz OHCCPJJUMCYEMQ-HNNXBMFYSA-N 1 0 378.314 2.841 20 0 GFADRO O=C(NCC12CCC[NH+]1CCC2)c1cnn(-c2cccc(Br)c2)c1 ZINC000614227961 565102820 /nfs/dbraw/zinc/10/28/20/565102820.db2.gz INIULIGEKKTKSW-UHFFFAOYSA-N 1 0 389.297 2.993 20 0 GFADRO COCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](Cc2cscc2Br)C1 ZINC000685411355 565105448 /nfs/dbraw/zinc/10/54/48/565105448.db2.gz QNKRKBUUUMLMPL-NWDGAFQWSA-N 1 0 375.332 2.874 20 0 GFADRO CO[C@@H](C[NH2+]Cc1c(Br)cncc1Br)[C@H]1CCOC1 ZINC000657540608 565107285 /nfs/dbraw/zinc/10/72/85/565107285.db2.gz IRJCAUGFNIDGIO-ZANVPECISA-N 1 0 394.107 2.748 20 0 GFADRO CO[C@H](C[NH2+]Cc1cc(Br)c2c(c1)OCCCO2)[C@@H]1CCOC1 ZINC000657544841 565107430 /nfs/dbraw/zinc/10/74/30/565107430.db2.gz QEWUUEZBPWJPFT-CZUORRHYSA-N 1 0 386.286 2.752 20 0 GFADRO CCCn1nc(C)c(C[NH2+]CCNC(=O)c2ccc(Br)cn2)c1C ZINC000657561960 565108812 /nfs/dbraw/zinc/10/88/12/565108812.db2.gz DWETXWRHWGSWAN-UHFFFAOYSA-N 1 0 394.317 2.587 20 0 GFADRO Cc1ccsc1S(=O)(=O)N(C[C@H](O)CC(C)(C)C)C1CC[NH+](C)CC1 ZINC000685510449 565109645 /nfs/dbraw/zinc/10/96/45/565109645.db2.gz MQHVODGNCDORSI-MRXNPFEDSA-N 1 0 388.599 2.939 20 0 GFADRO CO[C@@H]1CCC[C@@H]([C@@H](CO)[NH2+]Cc2cc3c(cc2Br)OCO3)C1 ZINC000657578630 565110137 /nfs/dbraw/zinc/11/01/37/565110137.db2.gz TXPQBPKKMDVHPH-UXIGCNINSA-N 1 0 386.286 2.834 20 0 GFADRO COc1cc(C)c(Br)cc1S(=O)(=O)N[C@@H](C)C[N@H+](C)C(C)C ZINC000685515961 565110418 /nfs/dbraw/zinc/11/04/18/565110418.db2.gz HQRFGBPHHYJHCQ-LBPRGKRZSA-N 1 0 393.347 2.773 20 0 GFADRO C[C@@H](COc1c(F)cccc1F)[NH2+]Cc1ccc(S(N)(=O)=O)c(Cl)c1 ZINC000657628621 565113983 /nfs/dbraw/zinc/11/39/83/565113983.db2.gz PKECXZGOWSJVED-JTQLQIEISA-N 1 0 390.839 2.823 20 0 GFADRO C[C@H](CC(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2)c1ccc(F)c(Br)c1 ZINC000614502910 565115992 /nfs/dbraw/zinc/11/59/92/565115992.db2.gz DTZHBAYMXLHLAN-UKRRQHHQSA-N 1 0 398.320 2.588 20 0 GFADRO CCC[N@H+](CC)C[C@H](C)NC(=O)C(=O)Nc1cc(C)cc(Br)c1 ZINC000685780986 565122574 /nfs/dbraw/zinc/12/25/74/565122574.db2.gz WVQAVDZJFCMTTD-ZDUSSCGKSA-N 1 0 384.318 2.933 20 0 GFADRO COc1cc(C[NH2+]C[C@@H]2CC(=O)N(C(C)(C)C)C2)cc(Br)c1O ZINC000657751770 565125712 /nfs/dbraw/zinc/12/57/12/565125712.db2.gz KANSOWQIPSMLNS-LBPRGKRZSA-N 1 0 385.302 2.900 20 0 GFADRO CC[C@@H](Cc1ccc(Br)cc1)[NH2+]CCN1CCN(C(C)=O)CC1 ZINC000657836626 565132303 /nfs/dbraw/zinc/13/23/03/565132303.db2.gz UXHPHTMXKVMVDB-SFHVURJKSA-N 1 0 382.346 2.524 20 0 GFADRO COc1cc(Br)c(CN2CC[NH+](C[C@H]3CCCO3)CC2)cc1OC ZINC000588881318 565142820 /nfs/dbraw/zinc/14/28/20/565142820.db2.gz KEZJZJRGVRATFP-OAHLLOKOSA-N 1 0 399.329 2.763 20 0 GFADRO Cc1c(Br)cncc1C(=O)Nc1cccc(C[N@@H+]2CC[C@H](O)C2)c1 ZINC000615108972 565145332 /nfs/dbraw/zinc/14/53/32/565145332.db2.gz QPXYICIOXUYKEN-HNNXBMFYSA-N 1 0 390.281 2.971 20 0 GFADRO COc1ccc(C(=O)N2CCC([N@@H+]3CCOC[C@H]3C)CC2)cc1Br ZINC000615092486 565145431 /nfs/dbraw/zinc/14/54/31/565145431.db2.gz XBFLRNPPUWCBGS-CYBMUJFWSA-N 1 0 397.313 2.783 20 0 GFADRO C[C@@H](Cc1ccc(Cl)c(C(F)(F)F)c1)[NH2+][C@@H]1CCN(S(C)(=O)=O)C1 ZINC000658047058 565148338 /nfs/dbraw/zinc/14/83/38/565148338.db2.gz ORMOIOMIFUSCHO-CMPLNLGQSA-N 1 0 384.851 2.913 20 0 GFADRO C[C@H]([NH2+]CCNC(=O)c1ccc(Br)cn1)c1ccc(Cl)cn1 ZINC000658091761 565148856 /nfs/dbraw/zinc/14/88/56/565148856.db2.gz HTRDSCRXXFFQPG-JTQLQIEISA-N 1 0 383.677 2.973 20 0 GFADRO CC(C)[C@H]([NH2+]CCNC(=O)c1ccc(Br)cn1)c1cccnc1 ZINC000658091129 565149246 /nfs/dbraw/zinc/14/92/46/565149246.db2.gz AMXMCDKHQVSQBB-INIZCTEOSA-N 1 0 377.286 2.956 20 0 GFADRO C[N@@H+]1C[C@H]2CCN(C(=O)c3cc(-c4cccc(Br)c4)no3)[C@H]2C1 ZINC000615182102 565149542 /nfs/dbraw/zinc/14/95/42/565149542.db2.gz GDWXIDSHCUNXGQ-DOMZBBRYSA-N 1 0 376.254 2.880 20 0 GFADRO C[C@@H]([NH2+]CCNC(=O)c1ccc(Br)cn1)c1ccc2c(c1)COC2 ZINC000658093302 565150336 /nfs/dbraw/zinc/15/03/36/565150336.db2.gz VUNOGKDYMGIJQC-GFCCVEGCSA-N 1 0 390.281 2.955 20 0 GFADRO C[NH+]1CCC(O)(CNC(=O)NCC/C=C/c2ccc(Br)cc2)CC1 ZINC000637335510 565151112 /nfs/dbraw/zinc/15/11/12/565151112.db2.gz WNAWUUUMJAQURN-DUXPYHPUSA-N 1 0 396.329 2.608 20 0 GFADRO O=C(NCC[NH2+]C1CC1)N1CCc2[nH]c3ccc(Br)cc3c2C1 ZINC000637340714 565151397 /nfs/dbraw/zinc/15/13/97/565151397.db2.gz VRXPHQNVVXDHTA-UHFFFAOYSA-N 1 0 377.286 2.750 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)cc1Br ZINC000658127066 565151774 /nfs/dbraw/zinc/15/17/74/565151774.db2.gz UKVBIRODLIYIBG-ZDUSSCGKSA-N 1 0 396.329 2.993 20 0 GFADRO Cc1ccc(NC(=O)C(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)cc1Br ZINC000658122371 565151884 /nfs/dbraw/zinc/15/18/84/565151884.db2.gz FJQRNLGGJYZNAI-CYBMUJFWSA-N 1 0 382.302 2.685 20 0 GFADRO OCCO[C@]1(C[NH2+][C@H](c2ccco2)c2ccc(Br)cc2)CCOC1 ZINC000658143918 565153034 /nfs/dbraw/zinc/15/30/34/565153034.db2.gz JOMOAVPHDVKSRY-ROUUACIJSA-N 1 0 396.281 2.889 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCc2cc(Br)cnc2OC)[C@H](C)C1 ZINC000637407022 565154004 /nfs/dbraw/zinc/15/40/04/565154004.db2.gz PDWKKUQCZKEQAY-IUODEOHRSA-N 1 0 399.333 2.724 20 0 GFADRO C[N@@H+]1CCC[C@H]1[C@H]1COCCN1C(=O)c1cc(Br)c(F)cc1F ZINC000615271478 565154233 /nfs/dbraw/zinc/15/42/33/565154233.db2.gz XOMVSOVUOQPUNE-LSDHHAIUSA-N 1 0 389.240 2.663 20 0 GFADRO O=S1(=O)CCC[C@H]([NH2+][C@@H]2CSCc3ccc(Br)cc32)C1 ZINC000658186842 565154833 /nfs/dbraw/zinc/15/48/33/565154833.db2.gz CULYPVGZUQCVFT-GXTWGEPZSA-N 1 0 376.341 2.904 20 0 GFADRO CC[C@@H](C)[N@H+](C)CCNC(=O)[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000589181412 565154986 /nfs/dbraw/zinc/15/49/86/565154986.db2.gz SMJHAUOBAZFHSV-CZUORRHYSA-N 1 0 396.329 2.649 20 0 GFADRO C[N@@H+]1CCC[C@@H]1[C@H]1COCCN1C(=O)c1cc(Br)c(F)cc1F ZINC000615271476 565155021 /nfs/dbraw/zinc/15/50/21/565155021.db2.gz XOMVSOVUOQPUNE-HUUCEWRRSA-N 1 0 389.240 2.663 20 0 GFADRO CC[C@@H](C)[N@H+](C)CCNC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000589220112 565156441 /nfs/dbraw/zinc/15/64/41/565156441.db2.gz KJYYXOPGIRUVOV-CYBMUJFWSA-N 1 0 388.343 2.950 20 0 GFADRO Cc1cc(Br)cc(NC(=O)C(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)c1 ZINC000658263120 565157648 /nfs/dbraw/zinc/15/76/48/565157648.db2.gz IEMOIELZCNKHFS-ZDUSSCGKSA-N 1 0 382.302 2.685 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2cc(F)ccc2Br)C1 ZINC000658261829 565157812 /nfs/dbraw/zinc/15/78/12/565157812.db2.gz OTLKJYFDFSEIMB-NSHDSACASA-N 1 0 386.265 2.516 20 0 GFADRO COCCCN(CCO)C(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000637474532 565158767 /nfs/dbraw/zinc/15/87/67/565158767.db2.gz PDPBWLRKLKMXNR-MRXNPFEDSA-N 1 0 392.327 2.637 20 0 GFADRO CCC[N@@H+]1CC[C@@H](N[C@H](C)c2cc(S(N)(=O)=O)c(Cl)cc2Cl)C1 ZINC000658284970 565158990 /nfs/dbraw/zinc/15/89/90/565158990.db2.gz IQOXXISAEFNRPU-GHMZBOCLSA-N 1 0 380.341 2.776 20 0 GFADRO C[C@H]([NH2+]CC1CCC(O)CC1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000658282859 565159295 /nfs/dbraw/zinc/15/92/95/565159295.db2.gz BTWJIEFOYSILIG-WHXUTIOJSA-N 1 0 381.325 2.843 20 0 GFADRO CCCOc1ccc(Br)cc1S(=O)(=O)N1CCC[C@H]1C[NH2+]C ZINC000658373295 565162775 /nfs/dbraw/zinc/16/27/75/565162775.db2.gz VFEMAIRTHSVLGD-ZDUSSCGKSA-N 1 0 391.331 2.610 20 0 GFADRO CCOc1cc(Br)c(CC(=O)N2CC(C[NH+](C)C)C2)cc1OCC ZINC000615515294 565164446 /nfs/dbraw/zinc/16/44/46/565164446.db2.gz UPQTUGMWOBTMKN-UHFFFAOYSA-N 1 0 399.329 2.809 20 0 GFADRO O=S(=O)(c1cc(Cl)cc(Br)c1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000658379732 565164771 /nfs/dbraw/zinc/16/47/71/565164771.db2.gz XLTGBTQHVFQCAM-CQSZACIVSA-N 1 0 393.734 2.867 20 0 GFADRO CCCOc1ccc(Br)cc1S(=O)(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000658381543 565165983 /nfs/dbraw/zinc/16/59/83/565165983.db2.gz UHJGYKLGQJQROK-AAEUAGOBSA-N 1 0 391.331 2.644 20 0 GFADRO CCCOc1ccc(Br)cc1S(=O)(=O)N1CC[C@@H]([NH3+])C[C@H]1C ZINC000658384819 565166051 /nfs/dbraw/zinc/16/60/51/565166051.db2.gz LUKUUZNTNQZSAS-DGCLKSJQSA-N 1 0 391.331 2.738 20 0 GFADRO COc1ccc(S(=O)(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)cc1Cl ZINC000658391294 565167011 /nfs/dbraw/zinc/16/70/11/565167011.db2.gz YOLAVPDTQBBMLG-NVXWUHKLSA-N 1 0 380.897 2.773 20 0 GFADRO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000658399106 565167210 /nfs/dbraw/zinc/16/72/10/565167210.db2.gz LBZQBFCDYIUSTE-IPYPFGDCSA-N 1 0 390.933 2.502 20 0 GFADRO CSC1(CNc2cc(Br)cc(F)c2C(N)=O)CC[NH+](C)CC1 ZINC000589605283 565167661 /nfs/dbraw/zinc/16/76/61/565167661.db2.gz CNPVVXONXDQJNT-UHFFFAOYSA-N 1 0 390.322 2.926 20 0 GFADRO CC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](C)[C@H]2CCC[NH3+])cc1Cl ZINC000658400243 565168021 /nfs/dbraw/zinc/16/80/21/565168021.db2.gz RSYLNMVFIRKWPT-SJKOYZFVSA-N 1 0 387.933 2.827 20 0 GFADRO C[C@@H]1CCN(S(=O)(=O)c2ccc(Br)c(Cl)c2)[C@H](C[NH3+])C1 ZINC000658400623 565168307 /nfs/dbraw/zinc/16/83/07/565168307.db2.gz NXTNYZCAIXGTAC-ZJUUUORDSA-N 1 0 381.723 2.850 20 0 GFADRO C[NH2+]C[C@H](C)NS(=O)(=O)c1c(Cl)cc(Br)cc1Cl ZINC000658408735 565168370 /nfs/dbraw/zinc/16/83/70/565168370.db2.gz NJOKPWPDDMTYOW-LURJTMIESA-N 1 0 376.103 2.642 20 0 GFADRO C[C@@H](CCNC(=O)C(=O)N1CC(C)(C)c2ccc(Br)cc21)[NH+](C)C ZINC000658429775 565168971 /nfs/dbraw/zinc/16/89/71/565168971.db2.gz WOUFBIKGYGOIPM-LBPRGKRZSA-N 1 0 396.329 2.530 20 0 GFADRO C[C@H](CCNC(=O)C(=O)Nc1cc(F)ccc1SCC(F)F)[NH+](C)C ZINC000658422827 565169421 /nfs/dbraw/zinc/16/94/21/565169421.db2.gz HADQXDHKHDGSDA-SNVBAGLBSA-N 1 0 377.432 2.578 20 0 GFADRO Cc1cc(Br)cc(Cl)c1NC(=O)C(=O)NCC[C@H](C)[NH+](C)C ZINC000658423412 565169572 /nfs/dbraw/zinc/16/95/72/565169572.db2.gz UVPFPVMDZWOXFY-JTQLQIEISA-N 1 0 390.709 2.806 20 0 GFADRO CC(C)(Oc1ccc(Br)cc1)C(=O)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000615660626 565169535 /nfs/dbraw/zinc/16/95/35/565169535.db2.gz XNRNYLKPRSCXJD-OAHLLOKOSA-N 1 0 399.329 2.570 20 0 GFADRO Cc1ccc(CNC(=O)N(C)CCCN2CC[NH+](C)CC2)cc1Br ZINC000637776003 565173264 /nfs/dbraw/zinc/17/32/64/565173264.db2.gz XEXNCLRHJAJOQK-UHFFFAOYSA-N 1 0 397.361 2.536 20 0 GFADRO COc1ccc(OCC[N@H+](C)Cc2ccc(Cl)c(S(N)(=O)=O)c2)cc1 ZINC000637869573 565174495 /nfs/dbraw/zinc/17/44/95/565174495.db2.gz QTDLHXIMFPEXIO-UHFFFAOYSA-N 1 0 384.885 2.507 20 0 GFADRO Brc1cnc2c(CN3CCC([NH+]4CCCCC4)CC3)cnn2c1 ZINC000637890126 565175419 /nfs/dbraw/zinc/17/54/19/565175419.db2.gz RXHLBBPGLMMKGG-UHFFFAOYSA-N 1 0 378.318 2.942 20 0 GFADRO COC(=O)c1cccc(Br)c1CN1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000590107632 565177503 /nfs/dbraw/zinc/17/75/03/565177503.db2.gz PHAVJSCSNVDDSM-CQSZACIVSA-N 1 0 397.313 2.532 20 0 GFADRO C[N@@H+](Cc1ccc(S(N)(=O)=O)c(Cl)c1)C[C@H]1OCCc2ccccc21 ZINC000637966577 565179259 /nfs/dbraw/zinc/17/92/59/565179259.db2.gz AGVFLGKTAICFMO-QGZVFWFLSA-N 1 0 380.897 2.733 20 0 GFADRO CC[C@@H](C)[NH+]1CCN(C(=O)[C@@H]2CCO[C@H]2c2cncc(Br)c2)CC1 ZINC000615983792 565183754 /nfs/dbraw/zinc/18/37/54/565183754.db2.gz DVJRKMRFXSLNJY-XYPHTWIQSA-N 1 0 396.329 2.864 20 0 GFADRO Cc1[nH][nH]c(=NC(=O)[C@H]2CCC[N@H+](CCc3ccccc3)C2)c1Br ZINC000616009668 565184348 /nfs/dbraw/zinc/18/43/48/565184348.db2.gz YRGUXXKCUPMHBT-HNNXBMFYSA-N 1 0 391.313 2.796 20 0 GFADRO CN1CC[C@@H]([NH2+]CCCN2CCOCC2)C[C@H]1c1ccc(Br)cc1 ZINC000638284713 565189873 /nfs/dbraw/zinc/18/98/73/565189873.db2.gz CIYSJYLRKMPZCM-MOPGFXCFSA-N 1 0 396.373 2.896 20 0 GFADRO CO[C@@H]1C[NH2+][C@@](C)(C(=O)N2CCC(c3ccccc3Br)CC2)C1 ZINC000638304931 565190995 /nfs/dbraw/zinc/19/09/95/565190995.db2.gz NGOGMADJZZWRRY-KBXCAEBGSA-N 1 0 381.314 2.922 20 0 GFADRO COc1ccc(OCC[NH2+]Cc2cnn3cc(Br)cnc23)cc1 ZINC000638312539 565191406 /nfs/dbraw/zinc/19/14/06/565191406.db2.gz VEEMGHYUNQANOZ-UHFFFAOYSA-N 1 0 377.242 2.669 20 0 GFADRO O=C(CN1CC[NH2+]CC1)N1CCc2sccc2[C@@H]1c1ccc(Cl)cc1 ZINC000638421655 565194963 /nfs/dbraw/zinc/19/49/63/565194963.db2.gz XSFQDGSOHSKLEI-IBGZPJMESA-N 1 0 375.925 2.781 20 0 GFADRO CO[C@H](C[NH2+]C[C@H]1CCN(c2cccc(Br)c2)C1)[C@H]1CCOC1 ZINC000638417316 565195433 /nfs/dbraw/zinc/19/54/33/565195433.db2.gz CHPNMXIKIUVYSF-RVKKMQEKSA-N 1 0 383.330 2.917 20 0 GFADRO C[NH2+]CCCC(=O)N1CCC(NC(=O)c2cc(Cl)cc(Cl)c2F)CC1 ZINC000638430984 565196126 /nfs/dbraw/zinc/19/61/26/565196126.db2.gz NPGIPAOBMXNWLH-UHFFFAOYSA-N 1 0 390.286 2.853 20 0 GFADRO COc1cc(NC(=O)[C@]2(C)C[C@@H](OC)C[NH2+]2)c(Cl)cc1Br ZINC000638426764 565196547 /nfs/dbraw/zinc/19/65/47/565196547.db2.gz WJPUJKSGENSUMQ-CLAHSXSESA-N 1 0 377.666 2.817 20 0 GFADRO C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)Nc2cccc(Cl)c2Cl)CCO1 ZINC000658997397 565198393 /nfs/dbraw/zinc/19/83/93/565198393.db2.gz HYLFPJMIFJIJTJ-LBPRGKRZSA-N 1 0 388.295 2.501 20 0 GFADRO C[C@@H](NC(=O)[C@@]1(C[NH3+])CCCOC1)c1cc(F)c(Br)cc1F ZINC000638494932 565198909 /nfs/dbraw/zinc/19/89/09/565198909.db2.gz KDPVTHNLVSTYQF-RFAUZJTJSA-N 1 0 377.229 2.660 20 0 GFADRO C[C@H](NC(=O)[C@]1(C[NH3+])CCCOC1)c1cc(F)c(Br)cc1F ZINC000638494933 565198961 /nfs/dbraw/zinc/19/89/61/565198961.db2.gz KDPVTHNLVSTYQF-VFZGTOFNSA-N 1 0 377.229 2.660 20 0 GFADRO C[C@H](C[C@H]1CCCC(=O)N1)[NH2+]CCC(=O)Nc1ccc(Br)cc1 ZINC000638492744 565199063 /nfs/dbraw/zinc/19/90/63/565199063.db2.gz ZYQUZRQZVGDGJX-IUODEOHRSA-N 1 0 382.302 2.815 20 0 GFADRO CN(CC(C)(C)[NH3+])C(=O)Nc1ccnn1Cc1ccccc1Br ZINC000659009560 565199547 /nfs/dbraw/zinc/19/95/47/565199547.db2.gz HYJYDSVSLRSJJF-UHFFFAOYSA-N 1 0 380.290 2.895 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000638510975 565200262 /nfs/dbraw/zinc/20/02/62/565200262.db2.gz MEUUDCXYWNFRHT-MRXNPFEDSA-N 1 0 389.297 2.958 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000638510974 565200347 /nfs/dbraw/zinc/20/03/47/565200347.db2.gz MEUUDCXYWNFRHT-INIZCTEOSA-N 1 0 389.297 2.958 20 0 GFADRO CCSc1ccc(CC(=O)NCC2([NH3+])CCOCC2)c(Br)c1 ZINC000638542016 565201455 /nfs/dbraw/zinc/20/14/55/565201455.db2.gz WMUWPOHFTXCMIL-UHFFFAOYSA-N 1 0 387.343 2.728 20 0 GFADRO CN1CC[C@@H]([NH2+]CC2(O)CCOCC2)C[C@@H]1c1ccc(Br)cc1 ZINC000638541851 565201821 /nfs/dbraw/zinc/20/18/21/565201821.db2.gz YGYIEKRTJPIECS-IAGOWNOFSA-N 1 0 383.330 2.716 20 0 GFADRO O=C(C[C@@H]1COCC[NH2+]1)N[C@H]1CCCSc2ccc(Br)cc21 ZINC000638586433 565202658 /nfs/dbraw/zinc/20/26/58/565202658.db2.gz SSFHUFKUELLURD-OCCSQVGLSA-N 1 0 385.327 2.871 20 0 GFADRO CCCN(C(=O)c1cc(Br)cc2[nH]c(=O)[nH]c21)[C@@H]1CC[N@H+](C)C1 ZINC000616467557 565202856 /nfs/dbraw/zinc/20/28/56/565202856.db2.gz FQHPPVHPLUJKCE-LLVKDONJSA-N 1 0 381.274 2.587 20 0 GFADRO C[NH2+]CCOCCNC(=O)c1cc(COc2c(Cl)cccc2Cl)on1 ZINC000638578975 565202941 /nfs/dbraw/zinc/20/29/41/565202941.db2.gz JKYKRCZZLPRTFI-UHFFFAOYSA-N 1 0 388.251 2.526 20 0 GFADRO CO[C@H](C[NH3+])CC(=O)N[C@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC000638596153 565204035 /nfs/dbraw/zinc/20/40/35/565204035.db2.gz MIXLYGPCNWUULZ-NHYWBVRUSA-N 1 0 380.286 2.788 20 0 GFADRO O=C(C[N@@H+]1CCC[C@H]1C1CC1)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000590787706 565204421 /nfs/dbraw/zinc/20/44/21/565204421.db2.gz FYCPCHXURGUGCI-INIZCTEOSA-N 1 0 383.323 2.911 20 0 GFADRO O=C(Nc1ccc2c(c1)OCC[NH2+]C2)c1n[nH]c(C2CC2)c1Br ZINC000638666893 565207047 /nfs/dbraw/zinc/20/70/47/565207047.db2.gz JPPQLANZHZPACA-UHFFFAOYSA-N 1 0 377.242 2.784 20 0 GFADRO COC(=O)[C@@H](c1ccc(Cl)c(Cl)c1)N1CC[N@H+](CCO)C(C)(C)C1 ZINC000616780631 565209212 /nfs/dbraw/zinc/20/92/12/565209212.db2.gz IBEFIWPTBXWYSM-OAHLLOKOSA-N 1 0 375.296 2.596 20 0 GFADRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000638770306 565210765 /nfs/dbraw/zinc/21/07/65/565210765.db2.gz ABWQKQJLOQLTLG-DETPVDSQSA-N 1 0 384.307 2.712 20 0 GFADRO Cc1ccc(Br)cc1C(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000638782227 565211393 /nfs/dbraw/zinc/21/13/93/565211393.db2.gz QEFLMYCCRLRIKX-INIZCTEOSA-N 1 0 381.314 2.988 20 0 GFADRO Cc1cc(Br)cc(C(=O)N2CCC(CO[C@H]3CC[NH2+]C3)CC2)c1 ZINC000638792336 565211479 /nfs/dbraw/zinc/21/14/79/565211479.db2.gz VZBTYNNIJFAHDI-KRWDZBQOSA-N 1 0 381.314 2.988 20 0 GFADRO CC(C)([NH2+]Cc1cnn2cc(Br)cnc12)C(=O)NCC1CCCC1 ZINC000638790520 565211694 /nfs/dbraw/zinc/21/16/94/565211694.db2.gz VVKWGNASMNDXMM-UHFFFAOYSA-N 1 0 394.317 2.666 20 0 GFADRO C[C@]1(C[NH3+])CCN(C(=O)Cc2ccc(Br)c(Br)c2)C1 ZINC000659311023 565212119 /nfs/dbraw/zinc/21/21/19/565212119.db2.gz GNUNWLVBVOGBEI-CQSZACIVSA-N 1 0 390.119 2.951 20 0 GFADRO CC(C)(CC[NH3+])NC(=O)Cc1ccc(Br)c(Br)c1 ZINC000659324791 565213489 /nfs/dbraw/zinc/21/34/89/565213489.db2.gz KZRDABHIEMQCTO-UHFFFAOYSA-N 1 0 378.108 2.998 20 0 GFADRO Cn1cc([C@H](CO)[NH2+][C@H]2CCN(C)[C@@H](c3ccc(Br)cc3)C2)cn1 ZINC000638814382 565213525 /nfs/dbraw/zinc/21/35/25/565213525.db2.gz YXNBUTFBFJPFPM-OKZBNKHCSA-N 1 0 393.329 2.641 20 0 GFADRO COC[C@]1(C(=O)NCC2(Cc3ccc(Br)cc3)CC2)CC[NH2+]C1 ZINC000659359159 565214172 /nfs/dbraw/zinc/21/41/72/565214172.db2.gz OUYLBLJEKBDBOA-SFHVURJKSA-N 1 0 381.314 2.514 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H]1C(=O)N1CC2(CCOCC2)c2ccc(Br)cc21 ZINC000638841905 565214229 /nfs/dbraw/zinc/21/42/29/565214229.db2.gz GRXYAJXCXCUJLR-DZGCQCFKSA-N 1 0 379.298 2.971 20 0 GFADRO O=C([C@H]1C[C@]12CC[NH2+]C2)N1CC2(CCOCC2)c2ccc(Br)cc21 ZINC000638842099 565214502 /nfs/dbraw/zinc/21/45/02/565214502.db2.gz LRMYEXWLRKIOSD-BEFAXECRSA-N 1 0 391.309 2.844 20 0 GFADRO O=C(C[C@H]1CSCC[NH2+]1)Nc1cc(Cl)ccc1C(=O)[C@@H]1CCCOC1 ZINC000659386172 565215336 /nfs/dbraw/zinc/21/53/36/565215336.db2.gz MYZOSZQZCSZSKG-OCCSQVGLSA-N 1 0 382.913 2.983 20 0 GFADRO CC1(C(=O)Nc2nc(-c3c[nH]c4ncc(Br)cc34)cs2)C[NH2+]C1 ZINC000659374558 565215430 /nfs/dbraw/zinc/21/54/30/565215430.db2.gz NUXNPXSWCXZEAO-UHFFFAOYSA-N 1 0 392.282 2.997 20 0 GFADRO CCc1nc(C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)nn1-c1c(Cl)cccc1Cl ZINC000659391705 565215899 /nfs/dbraw/zinc/21/58/99/565215899.db2.gz ZAEAWSNQMFIFBL-VXGBXAGGSA-N 1 0 386.258 2.648 20 0 GFADRO COc1cc(C(F)(F)F)ncc1NC(=O)N1C[C@@H](SC)[C@H]([NH+](C)C)C1 ZINC000616900288 565216081 /nfs/dbraw/zinc/21/60/81/565216081.db2.gz USKAPGXYXDWPLK-ZYHUDNBSSA-N 1 0 378.420 2.618 20 0 GFADRO O=C(Cc1csc(-c2cc(Br)cs2)n1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638913697 565217506 /nfs/dbraw/zinc/21/75/06/565217506.db2.gz CJXKEYPSFGQXOF-ONGXEEELSA-N 1 0 384.324 2.749 20 0 GFADRO O=C(NC[C@H]1C[NH2+]CCCO1)NC(CCC(F)(F)F)CCC(F)(F)F ZINC000659550139 565219988 /nfs/dbraw/zinc/21/99/88/565219988.db2.gz PASLBIKPECAFAL-LLVKDONJSA-N 1 0 379.345 2.718 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H](NC(=O)N2CCOC[C@H]2c2ccc(Br)cc2)C1 ZINC000659537487 565220230 /nfs/dbraw/zinc/22/02/30/565220230.db2.gz LOTSVSBHARWEIF-OAGGEKHMSA-N 1 0 382.302 2.802 20 0 GFADRO COC(=O)c1cc(NC(=O)N2CCCC[C@@H]2C[NH3+])c(Br)cc1F ZINC000591287520 565221990 /nfs/dbraw/zinc/22/19/90/565221990.db2.gz PSQBHWJPAREZJF-SECBINFHSA-N 1 0 388.237 2.720 20 0 GFADRO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)Nc1cc(C)cc(I)c1 ZINC000591306809 565222597 /nfs/dbraw/zinc/22/25/97/565222597.db2.gz JAWHBGAVIFTBLK-GWCFXTLKSA-N 1 0 391.228 2.763 20 0 GFADRO Cc1cc(I)cc(NC(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)c1 ZINC000591306833 565223972 /nfs/dbraw/zinc/22/39/72/565223972.db2.gz ONTKHKAGOVVWJD-BXUZGUMPSA-N 1 0 385.249 2.815 20 0 GFADRO CO[C@@H](C[NH2+]C[C@H](CO)Cc1ccccc1Br)C1CCOCC1 ZINC000639106368 565225774 /nfs/dbraw/zinc/22/57/74/565225774.db2.gz VFGBILMFSUGELD-KDOFPFPSSA-N 1 0 386.330 2.631 20 0 GFADRO C[C@H](C[C@H]1CCCC(=O)N1)[NH2+][C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000639110041 565226107 /nfs/dbraw/zinc/22/61/07/565226107.db2.gz KGTHSAKYZUBWRO-XPKDYRNWSA-N 1 0 394.313 2.591 20 0 GFADRO Clc1cc(Br)cnc1CN1CCN(CC[NH+]2CCCC2)CC1 ZINC000659839467 565226393 /nfs/dbraw/zinc/22/63/93/565226393.db2.gz XUJHDADVBKHNTR-UHFFFAOYSA-N 1 0 387.753 2.711 20 0 GFADRO O=C1C[C@H]([NH2+][C@H](CO)c2ccc(Br)cc2C(F)(F)F)CCCN1 ZINC000639127158 565227233 /nfs/dbraw/zinc/22/72/33/565227233.db2.gz OQVZIWKCWYHPLQ-ZWNOBZJWSA-N 1 0 395.219 2.760 20 0 GFADRO CN1CC[C@H]([NH2+]CC(C)(C)OCCO)C[C@H]1c1ccc(Br)cc1 ZINC000639186237 565232053 /nfs/dbraw/zinc/23/20/53/565232053.db2.gz ZHUZGZDXKLMOOJ-IRXDYDNUSA-N 1 0 385.346 2.962 20 0 GFADRO CN1CC[C@@H]([NH2+]CC(C)(C)OCCO)C[C@@H]1c1ccc(Br)cc1 ZINC000639186236 565232197 /nfs/dbraw/zinc/23/21/97/565232197.db2.gz ZHUZGZDXKLMOOJ-IAGOWNOFSA-N 1 0 385.346 2.962 20 0 GFADRO Cn1nc2cc(Br)ccc2c1C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000617341089 565232462 /nfs/dbraw/zinc/23/24/62/565232462.db2.gz KKQPKKCBDXDJNJ-GFCCVEGCSA-N 1 0 379.302 2.938 20 0 GFADRO CC(C)(C[C@@H]1CCC[N@H+](Cc2cnn3cc(Br)cnc23)C1)C(N)=O ZINC000639220183 565233581 /nfs/dbraw/zinc/23/35/81/565233581.db2.gz AJGOROPIUGHBMX-LBPRGKRZSA-N 1 0 394.317 2.605 20 0 GFADRO CN1CC[C@H]([NH2+][C@H](CO)[C@H]2CCCOC2)C[C@H]1c1ccc(Br)cc1 ZINC000639268083 565236371 /nfs/dbraw/zinc/23/63/71/565236371.db2.gz UZMWSHNHJLDCCF-KANFNMMFSA-N 1 0 397.357 2.962 20 0 GFADRO Nc1c(Cl)cc(Cl)cc1C[NH2+]C[C@H]1CS(=O)(=O)c2ccccc2O1 ZINC000639280767 565237151 /nfs/dbraw/zinc/23/71/51/565237151.db2.gz CBDPBTOTPCJTLJ-LBPRGKRZSA-N 1 0 387.288 2.900 20 0 GFADRO Nc1c(Cl)cc(Cl)cc1C[NH2+]C[C@@H]1CS(=O)(=O)c2ccccc2O1 ZINC000639280766 565237926 /nfs/dbraw/zinc/23/79/26/565237926.db2.gz CBDPBTOTPCJTLJ-GFCCVEGCSA-N 1 0 387.288 2.900 20 0 GFADRO Cc1cccc(S(=O)(=O)N2CCCC[C@H]2C[NH+](C)C)c1Br ZINC000660008390 565238118 /nfs/dbraw/zinc/23/81/18/565238118.db2.gz ANADPPOFXHHDFG-ZDUSSCGKSA-N 1 0 375.332 2.862 20 0 GFADRO CCc1csc(CC2CC[NH+](Cc3ccc(S(N)(=O)=O)cc3)CC2)n1 ZINC000639299484 565238144 /nfs/dbraw/zinc/23/81/44/565238144.db2.gz PWIWJIOBUZABQP-UHFFFAOYSA-N 1 0 379.551 2.808 20 0 GFADRO CSC[C@H](O)C[NH2+][C@@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O ZINC000591758679 565238730 /nfs/dbraw/zinc/23/87/30/565238730.db2.gz IGSJNUJHEFALCB-HUUCEWRRSA-N 1 0 376.444 2.510 20 0 GFADRO CCN(C(=O)c1cc(=O)[nH]c2ccc(Br)cc21)[C@H]1CC[N@H+](C)C1 ZINC000617555346 565245930 /nfs/dbraw/zinc/24/59/30/565245930.db2.gz UTQLRGHGHXAYJJ-LBPRGKRZSA-N 1 0 378.270 2.869 20 0 GFADRO COCC[N@@H+](Cc1cc(Br)cs1)C[C@@H](O)C[C@@](C)(O)C1CC1 ZINC000639634621 565251953 /nfs/dbraw/zinc/25/19/53/565251953.db2.gz SJHFCXZZCTXCDV-GOEBONIOSA-N 1 0 392.359 2.871 20 0 GFADRO C[C@@H]1C[C@H](N2CCOCC2)C[N@@H+]1C[C@@H](O)COc1cc(Cl)cc(Cl)c1 ZINC000639642665 565253630 /nfs/dbraw/zinc/25/36/30/565253630.db2.gz UKWVEJJSHDKNDE-XOKHGSTOSA-N 1 0 389.323 2.528 20 0 GFADRO COCC[N@@H+]1CCC[C@@H](NC(=O)C2(c3ccc(Br)cc3)CC2)C1 ZINC000592092808 565255748 /nfs/dbraw/zinc/25/57/48/565255748.db2.gz CABNTJPSSSYTBH-MRXNPFEDSA-N 1 0 381.314 2.708 20 0 GFADRO CN(CCC[NH+](C)C)CCNC(=O)c1ccc(Br)c(Cl)c1 ZINC000617765674 565258139 /nfs/dbraw/zinc/25/81/39/565258139.db2.gz LMNVPMISZARGGG-UHFFFAOYSA-N 1 0 376.726 2.716 20 0 GFADRO C[NH+](C)C[C@@]1(O)CCCN(Cc2nnc(-c3ccc(Cl)cc3Cl)o2)C1 ZINC000639763303 565258457 /nfs/dbraw/zinc/25/84/57/565258457.db2.gz QJOWURSGDXHRPQ-KRWDZBQOSA-N 1 0 385.295 2.932 20 0 GFADRO C[C@@H](CC(=O)NCCN(C)CCC[NH+](C)C)c1ccc(Br)cc1 ZINC000617765560 565258506 /nfs/dbraw/zinc/25/85/06/565258506.db2.gz GQFCHAWHWKFPCE-HNNXBMFYSA-N 1 0 384.362 2.942 20 0 GFADRO CC(C)([NH3+])c1noc(COc2cccc(F)c2I)n1 ZINC000592162129 565262318 /nfs/dbraw/zinc/26/23/18/565262318.db2.gz LPAVESOTLXHXAM-UHFFFAOYSA-N 1 0 377.157 2.586 20 0 GFADRO Nc1nnc([C@H]2CCC[N@H+](CCOc3cc(F)cc(Br)c3)C2)o1 ZINC000639822604 565263510 /nfs/dbraw/zinc/26/35/10/565263510.db2.gz QQHOSQBFWRJPAV-JTQLQIEISA-N 1 0 385.237 2.812 20 0 GFADRO CN(CCCC[NH+]1CCCCC1)C(=O)Nc1nnc(CC(F)(F)F)s1 ZINC000639831468 565264567 /nfs/dbraw/zinc/26/45/67/565264567.db2.gz ZRSRXJLLBYALDR-UHFFFAOYSA-N 1 0 379.452 3.373 20 0 GFADRO COC(=O)CN(CCc1ccc(Cl)cc1Cl)C(=O)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000592271536 565265536 /nfs/dbraw/zinc/26/55/36/565265536.db2.gz AUPQVKNCYAKAME-KBXCAEBGSA-N 1 0 385.291 2.537 20 0 GFADRO COC(=O)c1cc(NC(=O)N[C@H]2CCC[N@H+](C)C2)cc(Br)c1F ZINC000617898962 565266493 /nfs/dbraw/zinc/26/64/93/565266493.db2.gz LBWTVUSZJXXVFC-VIFPVBQESA-N 1 0 388.237 2.591 20 0 GFADRO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)c1cc(Cl)ccc1I ZINC000592335521 565269885 /nfs/dbraw/zinc/26/98/85/565269885.db2.gz XWIOVMLMEFHNNO-UWVGGRQHSA-N 1 0 396.631 2.717 20 0 GFADRO COc1cc(NC(=O)N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)ncc1Br ZINC000639965287 565270682 /nfs/dbraw/zinc/27/06/82/565270682.db2.gz OQLSMHFFYFLHKK-RYUDHWBXSA-N 1 0 383.290 2.943 20 0 GFADRO CC(C)[C@@H]1CN(CC(=O)c2c[nH]c3ncc(Br)cc23)CC[N@@H+]1C ZINC000660408952 565273217 /nfs/dbraw/zinc/27/32/17/565273217.db2.gz RACDUXGQVOFKSM-HNNXBMFYSA-N 1 0 379.302 2.780 20 0 GFADRO OCCC1(CCO)CC[NH+](CCOc2cc(F)cc(Br)c2)CC1 ZINC000640011341 565274137 /nfs/dbraw/zinc/27/41/37/565274137.db2.gz RMEFUSZFTQVKLS-UHFFFAOYSA-N 1 0 390.293 2.814 20 0 GFADRO C[C@@H]([NH3+])C[C@H](C)NC(=O)Nc1cc(F)c(I)c(F)c1 ZINC000592422799 565275332 /nfs/dbraw/zinc/27/53/32/565275332.db2.gz NAKALAPVDIXQNC-RQJHMYQMSA-N 1 0 383.180 2.817 20 0 GFADRO CN(CC1C[NH+](C)C1)C(=O)c1c(Br)cccc1Br ZINC000618190540 565279570 /nfs/dbraw/zinc/27/95/70/565279570.db2.gz XSUJIXPDLNPZCA-UHFFFAOYSA-N 1 0 376.092 2.845 20 0 GFADRO CN(CC1C[NH+](C)C1)C(=O)[C@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 ZINC000618195427 565279879 /nfs/dbraw/zinc/27/98/79/565279879.db2.gz IHGWSMSFLFSZRG-MRXNPFEDSA-N 1 0 384.307 2.618 20 0 GFADRO CN(CC1C[NH+](C)C1)C(=O)c1cc(Br)sc1Br ZINC000618193456 565279901 /nfs/dbraw/zinc/27/99/01/565279901.db2.gz XDGJFMFDVPBMDI-UHFFFAOYSA-N 1 0 382.121 2.907 20 0 GFADRO COC(=O)[C@H]1C[NH2+]CCCN1C(=O)[C@@H](C)Sc1cc(Cl)ccc1Cl ZINC000592550023 565282164 /nfs/dbraw/zinc/28/21/64/565282164.db2.gz CRDQZLIZMRHABQ-ZWNOBZJWSA-N 1 0 391.320 2.838 20 0 GFADRO CN(C)CC[N@H+](C)CCCN(C)Cc1ncc(Br)cc1Cl ZINC000660558936 565283038 /nfs/dbraw/zinc/28/30/38/565283038.db2.gz DZJCBZRBSOFTTQ-UHFFFAOYSA-N 1 0 377.758 2.813 20 0 GFADRO C[C@@H]1CN(CC(=O)c2c[nH]c3ncc(Br)cc23)CC[N@@H+](C2CC2)C1 ZINC000660644664 565286952 /nfs/dbraw/zinc/28/69/52/565286952.db2.gz JAENUGIYGCRFIR-GFCCVEGCSA-N 1 0 391.313 2.924 20 0 GFADRO COCC1([NH2+]Cc2cc3c(cc2Br)OCCCO3)CCOCC1 ZINC000660633988 565287079 /nfs/dbraw/zinc/28/70/79/565287079.db2.gz GJPURAQAZDOQPN-UHFFFAOYSA-N 1 0 386.286 2.896 20 0 GFADRO C[N@@H+]1CC[C@@]2(C1)CCCN([C@H](C(N)=O)c1ccc(Br)cc1F)C2 ZINC000660656935 565288309 /nfs/dbraw/zinc/28/83/09/565288309.db2.gz BWFQYCNZIIFMIZ-DOTOQJQBSA-N 1 0 384.293 2.532 20 0 GFADRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)c1ccn(-c2cccc(Br)c2)n1 ZINC000592741281 565291536 /nfs/dbraw/zinc/29/15/36/565291536.db2.gz CQIIXVNHYYRFBL-DOTOQJQBSA-N 1 0 389.297 2.991 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1ccn(-c2cccc(Br)c2)n1 ZINC000592741282 565291891 /nfs/dbraw/zinc/29/18/91/565291891.db2.gz CQIIXVNHYYRFBL-NVXWUHKLSA-N 1 0 389.297 2.991 20 0 GFADRO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)Nc1nn(CC(F)(F)F)cc1Cl ZINC000640297981 565295939 /nfs/dbraw/zinc/29/59/39/565295939.db2.gz ARLYEUAKGPCBIB-LLVKDONJSA-N 1 0 381.830 3.341 20 0 GFADRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)Nc1nn(CC(F)(F)F)cc1Cl ZINC000640301849 565297092 /nfs/dbraw/zinc/29/70/92/565297092.db2.gz KFGOYUJCLJEKLS-NSHDSACASA-N 1 0 381.830 3.341 20 0 GFADRO O=C(Nc1nn(CC(F)(F)F)cc1Cl)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000640302748 565297187 /nfs/dbraw/zinc/29/71/87/565297187.db2.gz OAXQRPFVEUJBOO-VXGBXAGGSA-N 1 0 379.814 3.237 20 0 GFADRO CCCN(C(=O)c1ccc(I)cc1F)[C@H]1CC[N@H+](C)C1 ZINC000592828278 565299688 /nfs/dbraw/zinc/29/96/88/565299688.db2.gz FHDYXVANVQBBOB-LBPRGKRZSA-N 1 0 390.240 2.987 20 0 GFADRO CC[C@@H](C)[NH+]1CCN(C(=O)Nc2nnc(C(F)(F)C(F)(F)F)s2)CC1 ZINC000640387228 565307049 /nfs/dbraw/zinc/30/70/49/565307049.db2.gz NWDSLRFNJKKYHQ-MRVPVSSYSA-N 1 0 387.378 3.140 20 0 GFADRO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[N@H+](CCOCCO)C1CCC1 ZINC000661103329 565307153 /nfs/dbraw/zinc/30/71/53/565307153.db2.gz RBVMNIJSROFKAW-UHFFFAOYSA-N 1 0 389.323 2.815 20 0 GFADRO COc1ncc(C(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)cc1Br ZINC000618654291 565309354 /nfs/dbraw/zinc/30/93/54/565309354.db2.gz BJZODKGLIVSIGB-CYBMUJFWSA-N 1 0 382.302 2.990 20 0 GFADRO O=C(CS(=O)(=O)c1ccc(Cl)cc1)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000618663576 565309440 /nfs/dbraw/zinc/30/94/40/565309440.db2.gz ZBEHRNJECKKEIA-OAHLLOKOSA-N 1 0 384.929 2.637 20 0 GFADRO C[C@H](CO)[C@@H]1CCCC[N@@H+]1C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000661445640 565323523 /nfs/dbraw/zinc/32/35/23/565323523.db2.gz ORWVYCHLNDYJRS-VMGRFDJRSA-N 1 0 390.293 2.811 20 0 GFADRO [NH3+]CCCCc1cn(CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)nn1 ZINC000640754739 565324341 /nfs/dbraw/zinc/32/43/41/565324341.db2.gz KRQJENVLVDWION-UHFFFAOYSA-N 1 0 375.782 2.870 20 0 GFADRO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)c1ccc(Cl)c(NS(C)(=O)=O)c1 ZINC000618991029 565324618 /nfs/dbraw/zinc/32/46/18/565324618.db2.gz RHKMEADNDRVHLB-ZDUSSCGKSA-N 1 0 387.933 2.562 20 0 GFADRO CCCN(CC[NH+]1CCCCCC1)C(=O)Nc1csc(S(N)(=O)=O)c1 ZINC000640748647 565324691 /nfs/dbraw/zinc/32/46/91/565324691.db2.gz PIDNNVVMLNKWON-UHFFFAOYSA-N 1 0 388.559 2.515 20 0 GFADRO [NH3+][C@@H](c1cn(CC(=O)Nc2cccc(Cl)c2Cl)nn1)C1CCOCC1 ZINC000640763037 565325360 /nfs/dbraw/zinc/32/53/60/565325360.db2.gz CYKZDXDCMUSELK-MRXNPFEDSA-N 1 0 384.267 2.650 20 0 GFADRO C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)n1cc([C@@H]([NH3+])[C@H]2CCCO2)nn1 ZINC000640781172 565326607 /nfs/dbraw/zinc/32/66/07/565326607.db2.gz FQFZHBAYHUJZTK-DFKRKDTASA-N 1 0 384.267 2.963 20 0 GFADRO C[C@@H](NC(=O)Cn1cc(C[C@@H]2CC[NH2+]C2)nn1)c1ccc(Cl)cc1Cl ZINC000640838445 565329842 /nfs/dbraw/zinc/32/98/42/565329842.db2.gz GTAYTUWZCWJOFU-NEPJUHHUSA-N 1 0 382.295 2.614 20 0 GFADRO O=C1[C@@H]([N@@H+]2CC[C@H]3NC(=O)CC[C@@H]3C2)CCN1c1ccc(Cl)c(Cl)c1 ZINC000661596202 565330193 /nfs/dbraw/zinc/33/01/93/565330193.db2.gz AZLJOQQRPFMASG-LYRGGWFBSA-N 1 0 382.291 2.699 20 0 GFADRO C[C@H](NC(=O)Cn1cc(C[C@H]2CC[NH2+]C2)nn1)c1ccc(Cl)c(Cl)c1 ZINC000640848074 565331124 /nfs/dbraw/zinc/33/11/24/565331124.db2.gz NDDMQCGLACCBOB-NWDGAFQWSA-N 1 0 382.295 2.614 20 0 GFADRO Brc1cc2c(cc1Cn1cc(C[NH2+]C3CCCC3)nn1)OCO2 ZINC000640852828 565331171 /nfs/dbraw/zinc/33/11/71/565331171.db2.gz OXHIPOQZTMFPKG-UHFFFAOYSA-N 1 0 379.258 2.850 20 0 GFADRO CN(c1ncnc2cc(I)sc21)[C@H]1CCC[N@H+](C)C1 ZINC000593464683 565333229 /nfs/dbraw/zinc/33/32/29/565333229.db2.gz KRSBATBKDHNUNY-VIFPVBQESA-N 1 0 388.278 2.826 20 0 GFADRO C[C@@H](C(=O)Nc1cccc(Br)c1)n1cc(C2CC[NH2+]CC2)nn1 ZINC000640879400 565334055 /nfs/dbraw/zinc/33/40/55/565334055.db2.gz FTNZVXIHPKSALV-NSHDSACASA-N 1 0 378.274 2.707 20 0 GFADRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1c1ncnc2cc(I)sc21 ZINC000593469165 565334277 /nfs/dbraw/zinc/33/42/77/565334277.db2.gz IIUOZNJOQBJYKY-RKDXNWHRSA-N 1 0 388.278 2.825 20 0 GFADRO C[C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)n1cc(CN(C)CCC[NH3+])nn1 ZINC000640924181 565337627 /nfs/dbraw/zinc/33/76/27/565337627.db2.gz KAVQDGCSAVJVCZ-LLVKDONJSA-N 1 0 385.299 2.565 20 0 GFADRO C[NH2+]Cc1cn(CC(=O)Nc2nc(-c3ccc(Cl)cc3)c(C)s2)nn1 ZINC000640961955 565339795 /nfs/dbraw/zinc/33/97/95/565339795.db2.gz LMRFQDOOJFMFAZ-UHFFFAOYSA-N 1 0 376.873 2.722 20 0 GFADRO C[C@H]([NH2+][C@H]1C[C@@H](O)C12CCC2)C(=O)N(C)Cc1ccc(Br)cc1 ZINC000661839633 565339980 /nfs/dbraw/zinc/33/99/80/565339980.db2.gz NNFAUWHZDGVQPB-VBNZEHGJSA-N 1 0 381.314 2.689 20 0 GFADRO CC[C@](C)([NH3+])c1cn(Cc2nc(-c3cc(Br)cs3)no2)nn1 ZINC000640993541 565340739 /nfs/dbraw/zinc/34/07/39/565340739.db2.gz AIKOPQAYDLJRPT-ZDUSSCGKSA-N 1 0 383.275 2.784 20 0 GFADRO COCC[NH2+]CCc1cn(CC/C=C/c2ccc(Br)cc2)nn1 ZINC000641058217 565343281 /nfs/dbraw/zinc/34/32/81/565343281.db2.gz MDPAFEDCYASCNW-DUXPYHPUSA-N 1 0 379.302 2.923 20 0 GFADRO CCC[C@H]([NH3+])c1cn(Cc2nc(Cc3cccc(Br)c3)no2)nn1 ZINC000641042870 565343968 /nfs/dbraw/zinc/34/39/68/565343968.db2.gz SVUPEXHULRRKPY-ZDUSSCGKSA-N 1 0 391.273 2.863 20 0 GFADRO CC(C)N1CCC[C@H](n2cc([C@H]([NH3+])c3ccc(Br)cc3)nn2)C1=O ZINC000641118139 565346750 /nfs/dbraw/zinc/34/67/50/565346750.db2.gz UQUBZBCSOARVNZ-JKSUJKDBSA-N 1 0 392.301 2.661 20 0 GFADRO CC[C@](C)([NH3+])c1cn(Cc2cc3c(cc2Br)OCCCO3)nn1 ZINC000641120333 565346899 /nfs/dbraw/zinc/34/68/99/565346899.db2.gz CQUWPNIQMGUBPU-INIZCTEOSA-N 1 0 381.274 2.834 20 0 GFADRO C[NH2+][C@@H](C)c1cn([C@@H]2CCCN(c3ccc(Br)c(C)c3)C2=O)nn1 ZINC000641118228 565346905 /nfs/dbraw/zinc/34/69/05/565346905.db2.gz VPYRXXUASLPDAQ-BLLLJJGKSA-N 1 0 392.301 2.998 20 0 GFADRO O=C1CCCN1C[C@@H]1CC[N@@H+](Cc2cc3c(cc2Br)OCO3)C1 ZINC000662059172 565347041 /nfs/dbraw/zinc/34/70/41/565347041.db2.gz DANMOQLBUVFRHU-GFCCVEGCSA-N 1 0 381.270 2.622 20 0 GFADRO COCC[NH2+]CCc1cn(Cc2nc(-c3ccccc3Cl)cs2)nn1 ZINC000641113957 565347227 /nfs/dbraw/zinc/34/72/27/565347227.db2.gz OPKRJKAEGWSHEB-UHFFFAOYSA-N 1 0 377.901 2.882 20 0 GFADRO COc1ccc(C[N@@H+]2CC[C@H](CN3CCCC3=O)C2)c(Br)c1OC ZINC000662057407 565347440 /nfs/dbraw/zinc/34/74/40/565347440.db2.gz BGRXVMJAXJQGFU-ZDUSSCGKSA-N 1 0 397.313 2.911 20 0 GFADRO COC[C@H]([NH3+])Cc1cn(Cc2cccc3c(Br)cccc23)nn1 ZINC000641129175 565348416 /nfs/dbraw/zinc/34/84/16/565348416.db2.gz IUGVJSQQYBPFHI-CYBMUJFWSA-N 1 0 375.270 2.758 20 0 GFADRO O=C(NCC12CCC[NH+]1CCC2)c1c(F)cccc1I ZINC000619573937 565349780 /nfs/dbraw/zinc/34/97/80/565349780.db2.gz FRMKJWZQEXSFLO-UHFFFAOYSA-N 1 0 388.224 2.789 20 0 GFADRO CCCOc1ccc(Br)cc1Cn1cc(CN(C)CCC[NH3+])nn1 ZINC000641134995 565350139 /nfs/dbraw/zinc/35/01/39/565350139.db2.gz PSKSTKNORMTUQU-UHFFFAOYSA-N 1 0 396.333 2.658 20 0 GFADRO CC(C)[C@H]([NH3+])c1cn([C@H]2CCc3cc(Br)ccc3NC2=O)nn1 ZINC000641163945 565351317 /nfs/dbraw/zinc/35/13/17/565351317.db2.gz IFJSNMFQRHZIGS-GJZGRUSLSA-N 1 0 378.274 2.822 20 0 GFADRO [NH3+][C@@H](Cc1cn(Cc2ncsc2Br)nn1)Cc1ccccc1 ZINC000641174932 565352476 /nfs/dbraw/zinc/35/24/76/565352476.db2.gz SXAZSKIEFRXISF-GFCCVEGCSA-N 1 0 378.299 2.658 20 0 GFADRO O[C@H](COc1cc(Cl)cc(Cl)c1)Cn1cc(C[C@@H]2CCC[NH2+]C2)nn1 ZINC000641220332 565354497 /nfs/dbraw/zinc/35/44/97/565354497.db2.gz NJLSYGYFGDLZFS-LRDDRELGSA-N 1 0 385.295 2.567 20 0 GFADRO O[C@@H](COc1cc(Cl)cc(Cl)c1)Cn1cc(C[C@H]2CCC[NH2+]C2)nn1 ZINC000641220333 565354529 /nfs/dbraw/zinc/35/45/29/565354529.db2.gz NJLSYGYFGDLZFS-MLGOLLRUSA-N 1 0 385.295 2.567 20 0 GFADRO COc1ncc(Br)cc1CN1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000662279945 565357293 /nfs/dbraw/zinc/35/72/93/565357293.db2.gz BGIYWHWNPHIYCT-HZPDHXFCSA-N 1 0 384.318 2.571 20 0 GFADRO COc1cc(CS(=O)(=O)N2CCC(C[NH+]3CCCCCC3)CC2)sn1 ZINC000641276555 565357470 /nfs/dbraw/zinc/35/74/70/565357470.db2.gz AJESPYIMQYAGCN-UHFFFAOYSA-N 1 0 387.571 2.570 20 0 GFADRO COC(=O)c1cc(NC(=O)NCCC2(C[NH3+])CC2)cc(Br)c1F ZINC000593762682 565359157 /nfs/dbraw/zinc/35/91/57/565359157.db2.gz FHZNOLJJAPDDHS-UHFFFAOYSA-N 1 0 388.237 2.625 20 0 GFADRO NC(=O)[C@@H](c1ccc(Br)cc1)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662291133 565359454 /nfs/dbraw/zinc/35/94/54/565359454.db2.gz BKSBJAUCVILDBY-DOTOQJQBSA-N 1 0 380.330 2.687 20 0 GFADRO NC(=O)[C@H](c1ccc(Br)cc1)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662296477 565359547 /nfs/dbraw/zinc/35/95/47/565359547.db2.gz KYJGEFYQYOOUMW-RDJZCZTQSA-N 1 0 380.330 2.687 20 0 GFADRO CN(C[C@H]1COc2ccccc2O1)C(=O)[C@H](N)c1ccccc1Br ZINC000662347069 565361431 /nfs/dbraw/zinc/36/14/31/565361431.db2.gz YLQSWXASVLNBIK-YVEFUNNKSA-N 1 0 391.265 2.747 20 0 GFADRO CN(Cc1cc2c(cc1Br)OCCCO2)[C@H](C[NH3+])C(F)(F)F ZINC000662333266 565362256 /nfs/dbraw/zinc/36/22/56/565362256.db2.gz WBSKBNITTBJCPF-CYBMUJFWSA-N 1 0 383.208 2.932 20 0 GFADRO CN[C@@H](C(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1cccc(Cl)c1Cl ZINC000662367779 565362699 /nfs/dbraw/zinc/36/26/99/565362699.db2.gz GLKFNYFDMYMUJC-IIYDPXPESA-N 1 0 388.339 2.869 20 0 GFADRO C[C@H](CNC(=O)c1sc2c(c1Br)CNC2)[NH+]1CCC(C)CC1 ZINC000662418154 565365918 /nfs/dbraw/zinc/36/59/18/565365918.db2.gz QKRLANSGXQTQBS-LLVKDONJSA-N 1 0 386.359 2.964 20 0 GFADRO C[C@@H]([NH3+])C1CCN(C(=O)[C@@H]2CCO[C@H]2c2cncc(Br)c2)CC1 ZINC000662410823 565366369 /nfs/dbraw/zinc/36/63/69/565366369.db2.gz VNHYPTRZBCUCGA-LYRGGWFBSA-N 1 0 382.302 2.508 20 0 GFADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)[C@@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000593897617 565366520 /nfs/dbraw/zinc/36/65/20/565366520.db2.gz GLFAJIRMNUMDOS-IOASZLSFSA-N 1 0 384.307 2.553 20 0 GFADRO CN[C@@H](C(=O)NC1CC[NH+](CCCOC)CC1)c1cccc(Cl)c1Cl ZINC000662439004 565367481 /nfs/dbraw/zinc/36/74/81/565367481.db2.gz HMQOSDSBWFNLJL-QGZVFWFLSA-N 1 0 388.339 2.871 20 0 GFADRO COC(=O)c1cc(NC(=O)[C@H]2CC[C@H](C3CC3)[NH2+]2)cc(Br)c1F ZINC000593908304 565367626 /nfs/dbraw/zinc/36/76/26/565367626.db2.gz LDGCUTSCYRRLJM-CHWSQXEVSA-N 1 0 385.233 2.844 20 0 GFADRO [NH3+]CC1(CCNC(=O)CCC[S@](=O)c2ccc(Br)cc2)CC1 ZINC000593927047 565368673 /nfs/dbraw/zinc/36/86/73/565368673.db2.gz SYZIYCZOMUSHKB-QFIPXVFZSA-N 1 0 387.343 2.582 20 0 GFADRO CCCN(CC(=O)Nc1ccc(Cl)cc1Cl)C(=O)[C@@H]([NH3+])COC(C)C ZINC000662445303 565368823 /nfs/dbraw/zinc/36/88/23/565368823.db2.gz RVAKJEORENEBTL-AWEZNQCLSA-N 1 0 390.311 2.923 20 0 GFADRO CN(CC(=O)Nc1ccccc1Br)C(=O)C1([NH2+]C2CC2)CCC1 ZINC000662444723 565369171 /nfs/dbraw/zinc/36/91/71/565369171.db2.gz KHBWZBFKOJAOEC-UHFFFAOYSA-N 1 0 380.286 2.521 20 0 GFADRO O=C(Nc1ccc(F)c(Br)c1)c1cn([C@@H]2CCC[NH2+]CC2)nn1 ZINC000662467835 565369802 /nfs/dbraw/zinc/36/98/02/565369802.db2.gz JTJYLZLXZMBVRW-LLVKDONJSA-N 1 0 382.237 2.747 20 0 GFADRO O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000594037199 565372856 /nfs/dbraw/zinc/37/28/56/565372856.db2.gz MKTUNWQWQRFIPL-ZDUSSCGKSA-N 1 0 378.416 2.834 20 0 GFADRO O=C(c1sc2c(c1Br)CNC2)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000662520891 565373765 /nfs/dbraw/zinc/37/37/65/565373765.db2.gz BBZCZXAEDMDOQT-WDEREUQCSA-N 1 0 384.343 2.576 20 0 GFADRO O=C(c1cc(Br)cc(N2CCCC2)c1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000662520133 565374058 /nfs/dbraw/zinc/37/40/58/565374058.db2.gz DRNNAOJHKQJDBH-CXAGYDPISA-N 1 0 378.314 2.873 20 0 GFADRO COc1ccc(Br)c(CNC(=O)[C@]2(C(F)(F)F)CC[NH2+]C2)c1 ZINC000662513301 565374087 /nfs/dbraw/zinc/37/40/87/565374087.db2.gz SBZXECGEJGTWOI-ZDUSSCGKSA-N 1 0 381.192 2.616 20 0 GFADRO [NH3+]CCN(Cc1ccccc1)C(=O)c1cc(Br)cc2c1OCCO2 ZINC000662551183 565376228 /nfs/dbraw/zinc/37/62/28/565376228.db2.gz AKLQBGXRLSRHDZ-UHFFFAOYSA-N 1 0 391.265 2.821 20 0 GFADRO Cc1cc(NC(=O)c2cnnn2C2CC[NH2+]CC2)cc(C)c1Br ZINC000662537493 565376350 /nfs/dbraw/zinc/37/63/50/565376350.db2.gz MGSZUBTYBOYXJB-UHFFFAOYSA-N 1 0 378.274 2.834 20 0 GFADRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)C2(c3ccc(I)cc3)CC2)C1 ZINC000594102406 565376763 /nfs/dbraw/zinc/37/67/63/565376763.db2.gz KTSGROCLOQTMSA-JNSHFYNHSA-N 1 0 398.288 2.779 20 0 GFADRO [NH3+]C[C@@H]1OCC[C@@H]1C(=O)Nc1cc(-c2cc(Br)ccc2Cl)[nH]n1 ZINC000662556003 565376972 /nfs/dbraw/zinc/37/69/72/565376972.db2.gz ZOWHSQVSZDGYPY-ZANVPECISA-N 1 0 399.676 2.795 20 0 GFADRO C[C@H](CNC(=O)[C@@]1(C(F)(F)F)CC[NH2+]C1)Oc1ccc(Br)cc1 ZINC000662632246 565379666 /nfs/dbraw/zinc/37/96/66/565379666.db2.gz OMAPERFBPBKASV-QMTHXVAHSA-N 1 0 395.219 2.875 20 0 GFADRO Cn1ncc(C2CC2)c1CNC(=O)[C@](C)([NH3+])c1ccc(Br)cc1 ZINC000662665968 565380564 /nfs/dbraw/zinc/38/05/64/565380564.db2.gz JSPHRRBOTVWHKO-QGZVFWFLSA-N 1 0 377.286 2.550 20 0 GFADRO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)c1sc2c(c1Br)CNC2 ZINC000662692281 565381875 /nfs/dbraw/zinc/38/18/75/565381875.db2.gz CRSAWDDCUOEHNM-LLVKDONJSA-N 1 0 386.359 2.964 20 0 GFADRO CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)N1CCc2sc(Br)cc2C1 ZINC000662690161 565381934 /nfs/dbraw/zinc/38/19/34/565381934.db2.gz ZSJSAAKECACPNU-KHIZAZIESA-N 1 0 399.354 2.928 20 0 GFADRO CC1(C)[C@@H]2OCCC[C@H]2[C@]1([NH3+])C(=O)N1CCc2sc(Br)cc2C1 ZINC000662690163 565382494 /nfs/dbraw/zinc/38/24/94/565382494.db2.gz ZSJSAAKECACPNU-ZLENFMNRSA-N 1 0 399.354 2.928 20 0 GFADRO O=C(NC[C@H]1CCN(c2ccc(Cl)cc2)C1)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662700598 565382515 /nfs/dbraw/zinc/38/25/15/565382515.db2.gz WHDVXWFRMYKCTB-MLGOLLRUSA-N 1 0 375.822 2.825 20 0 GFADRO CN[C@H](C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1)c1cccc(Cl)c1Cl ZINC000662707516 565383280 /nfs/dbraw/zinc/38/32/80/565383280.db2.gz GGKHNVFUPPQPGY-GUYCJALGSA-N 1 0 386.323 2.623 20 0 GFADRO CC(C)[C@H]([NH3+])CCNC(=O)[C@@H](c1ccc(Cl)cc1Cl)N1CCOCC1 ZINC000662730423 565383327 /nfs/dbraw/zinc/38/33/27/565383327.db2.gz ZYNBQWJYHGMWPT-IAGOWNOFSA-N 1 0 388.339 2.856 20 0 GFADRO CCO[C@@H]1C[C@]([NH3+])(C(=O)N2CCOc3cc(Br)ccc3C2)C1(C)C ZINC000662745988 565383646 /nfs/dbraw/zinc/38/36/46/565383646.db2.gz YRCBIQMNRXQGBO-QAPCUYQASA-N 1 0 397.313 2.703 20 0 GFADRO C[NH+]1CCC2(CCN(S(=O)(=O)c3cc(Br)ccc3F)C2)CC1 ZINC000641590028 565384683 /nfs/dbraw/zinc/38/46/83/565384683.db2.gz PBDZDYZTPWOBBG-UHFFFAOYSA-N 1 0 391.306 2.695 20 0 GFADRO O=C([C@H]1CCc2cc(Br)ccc21)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000620474142 565385141 /nfs/dbraw/zinc/38/51/41/565385141.db2.gz DTDHQYATPBAXTQ-WMZOPIPTSA-N 1 0 393.325 2.537 20 0 GFADRO C[C@@H](Cc1ccc(Br)cc1)C(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000620480671 565385296 /nfs/dbraw/zinc/38/52/96/565385296.db2.gz IIVIPBAKODHUFE-KBXCAEBGSA-N 1 0 395.341 2.685 20 0 GFADRO O=C(N1CCN(c2ccc(F)cc2Cl)CC1)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662802926 565385729 /nfs/dbraw/zinc/38/57/29/565385729.db2.gz MQKXUMUVEGPXEB-OAHLLOKOSA-N 1 0 379.785 2.670 20 0 GFADRO C[C@@H]1[C@@H](c2ccc(Br)cc2)OCCN1C(=O)C[NH2+]C[C@H]1CCCO1 ZINC000662859930 565388730 /nfs/dbraw/zinc/38/87/30/565388730.db2.gz WJXWOJWNYORUNH-QBIMZIAESA-N 1 0 397.313 2.506 20 0 GFADRO C[NH2+]C[C@@H](C)NC(=O)c1c(C)nn(Cc2cccc(Br)c2)c1C ZINC000662961293 565390814 /nfs/dbraw/zinc/39/08/14/565390814.db2.gz AVGZODIHHKXXOQ-LLVKDONJSA-N 1 0 379.302 2.648 20 0 GFADRO C[NH2+]C[C@@H](C)NC(=O)c1cnn(-c2ncc(Cl)cc2Cl)c1C(F)(F)F ZINC000662959993 565391139 /nfs/dbraw/zinc/39/11/39/565391139.db2.gz KLSOGAMCILOHRS-SSDOTTSWSA-N 1 0 396.200 2.931 20 0 GFADRO CN(CCCC[NH+]1CCCCC1)S(=O)(=O)c1ccc(Br)cn1 ZINC000641697429 565395042 /nfs/dbraw/zinc/39/50/42/565395042.db2.gz FBNSIJHZVKSHCS-UHFFFAOYSA-N 1 0 390.347 2.731 20 0 GFADRO O=c1[nH]c2ccc(C[NH2+]C[C@H](CO)Cc3ccccc3Br)cc2[nH]1 ZINC000641761418 565397023 /nfs/dbraw/zinc/39/70/23/565397023.db2.gz IEJDFUQSXWEJPX-CYBMUJFWSA-N 1 0 390.281 2.972 20 0 GFADRO C[C@H]([NH2+][C@H]1CCc2c(nnn2C)C1)c1ccccc1I ZINC000594523185 565397839 /nfs/dbraw/zinc/39/78/39/565397839.db2.gz WPKLIMVUAWHELB-QWRGUYRKSA-N 1 0 382.249 2.628 20 0 GFADRO FC(F)(F)c1ccc(C[NH2+][C@@H]2CCCN(CCN3CCOCC3)C2)s1 ZINC000641786869 565399847 /nfs/dbraw/zinc/39/98/47/565399847.db2.gz IJBDUXDDSKVNKN-CQSZACIVSA-N 1 0 377.476 2.653 20 0 GFADRO CC[C@@H]1CN(C(=O)c2cc(=O)[nH]c3ccc(Br)cc32)C[C@H](C)[NH2+]1 ZINC000620903222 565400978 /nfs/dbraw/zinc/40/09/78/565400978.db2.gz JMZCSFFIKMZOAR-CMPLNLGQSA-N 1 0 378.270 2.915 20 0 GFADRO C[C@@H]([NH2+]C1CCN(C(=O)C2CC2)CC1)C(=O)Nc1ccccc1Br ZINC000641860954 565401251 /nfs/dbraw/zinc/40/12/51/565401251.db2.gz UKTCRHXVZQQSAJ-GFCCVEGCSA-N 1 0 394.313 2.767 20 0 GFADRO C[NH+](C)CCC[C@H]1CN(C(=O)COc2c(Cl)cccc2Cl)CCO1 ZINC000620964088 565401774 /nfs/dbraw/zinc/40/17/74/565401774.db2.gz UECRDRPJHFXQPO-ZDUSSCGKSA-N 1 0 375.296 2.941 20 0 GFADRO C[NH+](C)CCC[C@@H]1CN(C(=O)Cc2ccc(F)cc2Br)CCO1 ZINC000620973920 565403328 /nfs/dbraw/zinc/40/33/28/565403328.db2.gz CNCHRLCDMIXIRT-OAHLLOKOSA-N 1 0 387.293 2.700 20 0 GFADRO C[C@@H](Oc1cccc(Br)c1)C(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000620969443 565403527 /nfs/dbraw/zinc/40/35/27/565403527.db2.gz BHBRIKFLSGPJRD-RHSMWYFYSA-N 1 0 399.329 2.786 20 0 GFADRO C[NH+](C)CCC[C@H]1CN(C(=O)CCc2ccc(Br)cc2)CCO1 ZINC000620970094 565403555 /nfs/dbraw/zinc/40/35/55/565403555.db2.gz LGGLUZZKZXQZPG-KRWDZBQOSA-N 1 0 383.330 2.951 20 0 GFADRO O=C(NC[C@H]1CCC[N@H+](CC2CC2)C1)c1cn2ccc(Br)cc2n1 ZINC000621110027 565406151 /nfs/dbraw/zinc/40/61/51/565406151.db2.gz HROSGBVYIZZIID-CQSZACIVSA-N 1 0 391.313 2.949 20 0 GFADRO CC(C)[C@@H]1CN(C(=O)c2nn(-c3ccc(F)cc3)cc2Br)CC[NH2+]1 ZINC000621155064 565407821 /nfs/dbraw/zinc/40/78/21/565407821.db2.gz YHICOAYHIQTXHO-HNNXBMFYSA-N 1 0 395.276 2.844 20 0 GFADRO CC(C)[C@@H]1CN(C(=O)c2cc(=O)[nH]c3ccc(Br)cc32)CC[NH2+]1 ZINC000621154172 565407982 /nfs/dbraw/zinc/40/79/82/565407982.db2.gz HNAUVOWSDNPGRA-HNNXBMFYSA-N 1 0 378.270 2.773 20 0 GFADRO CN([C@@H](C[NH3+])C(F)(F)F)S(=O)(=O)c1ccc(Cl)c(Br)c1 ZINC000663309929 565410844 /nfs/dbraw/zinc/41/08/44/565410844.db2.gz DYIIQWAVPVVUJE-VIFPVBQESA-N 1 0 395.628 2.613 20 0 GFADRO C[C@@H](NC1CC[NH+]([C@@H]2CCOC2)CC1)C(=O)Nc1cccc(Br)c1 ZINC000663304400 565411603 /nfs/dbraw/zinc/41/16/03/565411603.db2.gz QBQWWGKACFTQON-CXAGYDPISA-N 1 0 396.329 2.619 20 0 GFADRO NC(=O)[C@H]([NH2+]C[C@H]1CCN1Cc1ccccc1)c1cccc(Br)c1 ZINC000663311704 565411970 /nfs/dbraw/zinc/41/19/70/565411970.db2.gz POYJUWRCRGWQLI-QZTJIDSGSA-N 1 0 388.309 2.840 20 0 GFADRO CCSc1nnc(NC(=O)NCC2([NH+]3CCSCC3)CCCC2)s1 ZINC000642400751 565412410 /nfs/dbraw/zinc/41/24/10/565412410.db2.gz JLCHPWAPVWWRGA-UHFFFAOYSA-N 1 0 387.600 3.133 20 0 GFADRO CC1CC[NH+](CCNS(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)CC1 ZINC000642515866 565414142 /nfs/dbraw/zinc/41/41/42/565414142.db2.gz SFJOFYICMGQTRB-UHFFFAOYSA-N 1 0 382.860 2.952 20 0 GFADRO O[C@H](C[NH2+]C1CCN([C@@H]2CCOC2)CC1)COc1ccc(Cl)c(Cl)c1 ZINC000663363326 565415032 /nfs/dbraw/zinc/41/50/32/565415032.db2.gz JEXMQVGINZKUDN-HUUCEWRRSA-N 1 0 389.323 2.576 20 0 GFADRO COc1cc(CCC[NH2+]Cc2c(Br)c(C)nn2C)cc(OC)c1O ZINC000621391672 565423057 /nfs/dbraw/zinc/42/30/57/565423057.db2.gz OXACDROHRSHIGY-UHFFFAOYSA-N 1 0 398.301 2.936 20 0 GFADRO C[C@@H](C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1)c1cccc(Br)c1 ZINC000643229815 565426456 /nfs/dbraw/zinc/42/64/56/565426456.db2.gz RSZZPXSJWTYYGG-DYVFJYSZSA-N 1 0 381.314 2.922 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CNC(=O)CC[C@@H]1CCC[NH2+]C1 ZINC000621630775 565434032 /nfs/dbraw/zinc/43/40/32/565434032.db2.gz MEPMSOWADRKVNH-ZDUSSCGKSA-N 1 0 382.302 2.592 20 0 GFADRO C[C@H](N[C@H]1CC[NH2+]C2(CCC2)C1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000643548340 565435169 /nfs/dbraw/zinc/43/51/69/565435169.db2.gz OAXHPWRLCWVUQX-QWRGUYRKSA-N 1 0 392.352 2.966 20 0 GFADRO O=C(CC[C@H]1CCC[NH2+]C1)N1CCN(c2ccc(Br)cc2)CC1 ZINC000621667645 565436045 /nfs/dbraw/zinc/43/60/45/565436045.db2.gz ITHBEVXVLRISHU-OAHLLOKOSA-N 1 0 380.330 2.878 20 0 GFADRO O=C(NCC(F)(F)c1ccc(Br)cc1)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC000621670883 565436058 /nfs/dbraw/zinc/43/60/58/565436058.db2.gz BJLDCTCZHGGEGD-SNVBAGLBSA-N 1 0 399.239 2.771 20 0 GFADRO COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]C[C@H](CO)Cc1cccc(Br)c1C ZINC000594953479 565437574 /nfs/dbraw/zinc/43/75/74/565437574.db2.gz HIKBZIFIECDIRY-SJXGUFTOSA-N 1 0 384.314 2.696 20 0 GFADRO Cc1c(C(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)cnn1-c1ccc(Br)cc1 ZINC000621696582 565438020 /nfs/dbraw/zinc/43/80/20/565438020.db2.gz PRQIIWBLILQRRB-UGSOOPFHSA-N 1 0 389.297 2.897 20 0 GFADRO COc1ccc(C[NH2+][C@@H]2CCC[C@@H]([S@](C)=O)C2)c(Br)c1O ZINC000594959014 565438097 /nfs/dbraw/zinc/43/80/97/565438097.db2.gz BZOSHWDAGOLARD-ZSMADZGOSA-N 1 0 376.316 2.943 20 0 GFADRO CC(C)(C)n1cc(C[NH2+]CCc2ccc(I)cc2)nn1 ZINC000594993990 565440109 /nfs/dbraw/zinc/44/01/09/565440109.db2.gz BIBJQNXPCCEKKQ-UHFFFAOYSA-N 1 0 384.265 2.970 20 0 GFADRO COc1c[nH+]ccc1N1CCN(c2nc(C3CC3)ncc2Br)CC1 ZINC000663864639 565440763 /nfs/dbraw/zinc/44/07/63/565440763.db2.gz BLSVXEZHNRQWPD-UHFFFAOYSA-N 1 0 390.285 2.847 20 0 GFADRO Ic1ccc2c(c1)[C@@H]([NH2+]CCCN1CCOCC1)CC2 ZINC000595006430 565442294 /nfs/dbraw/zinc/44/22/94/565442294.db2.gz JVPIUGRIYUPYCZ-INIZCTEOSA-N 1 0 386.277 2.590 20 0 GFADRO CS[C@H](CO)[C@@H](C)[NH2+][C@@H]1CCc2ccc(I)cc21 ZINC000595010625 565442536 /nfs/dbraw/zinc/44/25/36/565442536.db2.gz VMIMVCOFNLXDIM-OWYVNGRQSA-N 1 0 377.291 2.981 20 0 GFADRO O=C(NCC1CC[NH2+]CC1)NCC(F)(F)c1ccc(Br)cc1 ZINC000621846988 565444055 /nfs/dbraw/zinc/44/40/55/565444055.db2.gz PDXCUQQWFJIXDF-UHFFFAOYSA-N 1 0 376.245 2.840 20 0 GFADRO C[C@H]([NH2+][C@H]1CCc2ccc(I)cc21)[C@@H]1CN(C)CCO1 ZINC000595020910 565444025 /nfs/dbraw/zinc/44/40/25/565444025.db2.gz BGEPPDANPUQOJV-UVBJJODRSA-N 1 0 386.277 2.587 20 0 GFADRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)c2cc3c(cc2Br)OCO3)C1 ZINC000621909897 565448558 /nfs/dbraw/zinc/44/85/58/565448558.db2.gz PCYPKJASJDXMFE-LBPRGKRZSA-N 1 0 383.286 2.886 20 0 GFADRO O=C(NC1CC([NH+]2CCCCC2)C1)c1cc2c(cc1Br)OCO2 ZINC000621987471 565453066 /nfs/dbraw/zinc/45/30/66/565453066.db2.gz WLIUXGHGOUDGEY-UHFFFAOYSA-N 1 0 381.270 2.925 20 0 GFADRO [NH3+][C@]12CCC[C@@H]1CN(S(=O)(=O)Cc1ccc(Br)cc1Cl)C2 ZINC000622014346 565455437 /nfs/dbraw/zinc/45/54/37/565455437.db2.gz CPFPLRDTLQMELN-RISCZKNCSA-N 1 0 393.734 2.746 20 0 GFADRO C[C@@H]1[NH2+]CC[C@H]1C(=O)NCc1cc(Cl)ccc1I ZINC000595255573 565458838 /nfs/dbraw/zinc/45/88/38/565458838.db2.gz FPRRQNJCRCXQDH-GZMMTYOYSA-N 1 0 378.641 2.559 20 0 GFADRO COCC1(CNC(=O)CCCc2cccc(Br)c2)CC[NH2+]CC1 ZINC000644128141 565460005 /nfs/dbraw/zinc/46/00/05/565460005.db2.gz XRKBYPZABFAXIE-UHFFFAOYSA-N 1 0 383.330 2.904 20 0 GFADRO C[C@@H](C(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+])c1c(Cl)cccc1Cl ZINC000644123928 565460595 /nfs/dbraw/zinc/46/05/95/565460595.db2.gz YQPHVAHWIFJQKX-CHWSQXEVSA-N 1 0 386.323 2.943 20 0 GFADRO COC(=O)[C@@H](c1ccccc1Br)N1CCN(c2cc[nH+]cc2)CC1 ZINC000595344970 565465921 /nfs/dbraw/zinc/46/59/21/565465921.db2.gz AWUKZJJMGQFEFO-QGZVFWFLSA-N 1 0 390.281 2.880 20 0 GFADRO O[C@@]1(C(F)(F)F)CC[C@@H]([NH2+]Cc2cn(-c3ccc(F)cc3Cl)nn2)C1 ZINC000644422712 565476597 /nfs/dbraw/zinc/47/65/97/565476597.db2.gz NHXDMOSHYYNNIB-YGRLFVJLSA-N 1 0 378.757 2.995 20 0 GFADRO C[C@H](CCNC(=O)N[C@H]1CCN(c2cccc(Br)c2)C1)[NH+](C)C ZINC000664772008 565477925 /nfs/dbraw/zinc/47/79/25/565477925.db2.gz KWUKMKWVUNTFPM-HIFRSBDPSA-N 1 0 383.334 2.667 20 0 GFADRO C[C@@H](CCNC(=O)NCc1cnn(-c2ccc(Br)cc2)c1)[NH+](C)C ZINC000664765339 565478087 /nfs/dbraw/zinc/47/80/87/565478087.db2.gz JEYIGTXBLQRRSM-ZDUSSCGKSA-N 1 0 394.317 2.774 20 0 GFADRO C[NH+](C)CC(C)(C)CN(C(=O)[C@H]1[C@@H]2COC[C@@H]21)c1ccc(Br)cn1 ZINC000622860096 565479336 /nfs/dbraw/zinc/47/93/36/565479336.db2.gz MWGGFQSWJKDHBV-FOLVSLTJSA-N 1 0 396.329 2.657 20 0 GFADRO C[C@@H]1C[N@H+](C)[C@H](C)[C@@H](C)N1C(=O)c1cc(Br)cc2c1OCCO2 ZINC000622889392 565479997 /nfs/dbraw/zinc/47/99/97/565479997.db2.gz JDKHCBCCDGGDRZ-IJLUTSLNSA-N 1 0 383.286 2.773 20 0 GFADRO CN(C)C(=O)C1(C[NH2+]C[C@H](O)COc2ccc(Cl)c(Cl)c2)CCCC1 ZINC000644564744 565482014 /nfs/dbraw/zinc/48/20/14/565482014.db2.gz PDBXCLPQJTYFDS-ZDUSSCGKSA-N 1 0 389.323 2.971 20 0 GFADRO O=C(CC[NH2+]CCn1cc(Br)ccc1=O)Nc1cccc(Cl)c1 ZINC000644656442 565487960 /nfs/dbraw/zinc/48/79/60/565487960.db2.gz NXJPFNQZMMDTSZ-UHFFFAOYSA-N 1 0 398.688 2.883 20 0 GFADRO C[C@@H]1[C@@H](NC(=O)c2cc(Br)c[nH]c2=O)CC[N@@H+]1Cc1ccccc1 ZINC000623027282 565490497 /nfs/dbraw/zinc/49/04/97/565490497.db2.gz DTVWRLQOTGUBQK-WBMJQRKESA-N 1 0 390.281 2.943 20 0 GFADRO COC1CC[NH+](CCNC(=O)C2(Cc3ccccc3Br)CC2)CC1 ZINC000644800025 565495385 /nfs/dbraw/zinc/49/53/85/565495385.db2.gz SKRQYQNPELATOL-UHFFFAOYSA-N 1 0 395.341 2.999 20 0 GFADRO Ic1ccc([C@@H]2CCCN2C[C@@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000595884383 565496833 /nfs/dbraw/zinc/49/68/33/565496833.db2.gz FDXGOXHJSQCNDT-HOTGVXAUSA-N 1 0 398.288 2.949 20 0 GFADRO COc1cc(I)c(Cl)cc1C(=O)N(C)CC(C)(C)[NH3+] ZINC000595941186 565501214 /nfs/dbraw/zinc/50/12/14/565501214.db2.gz ASRRLIYEMFVLQK-UHFFFAOYSA-N 1 0 396.656 2.763 20 0 GFADRO O=C(NC[C@@H](CO)c1ccc(Cl)cc1)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000665514393 565502839 /nfs/dbraw/zinc/50/28/39/565502839.db2.gz ARIIOEZXAIADHK-FUHWJXTLSA-N 1 0 382.957 2.750 20 0 GFADRO COCC(C)(C)[NH+]1CCN(Cc2cn3cc(Br)ccc3n2)CC1 ZINC000644946627 565504063 /nfs/dbraw/zinc/50/40/63/565504063.db2.gz PKDZAQXQLAIABR-UHFFFAOYSA-N 1 0 381.318 2.639 20 0 GFADRO COc1cc(C[NH2+]Cc2cc(C)c(Br)cn2)ccc1OCCO ZINC000623364886 565505881 /nfs/dbraw/zinc/50/58/81/565505881.db2.gz YVIGWIATRAMWMT-UHFFFAOYSA-N 1 0 381.270 2.822 20 0 GFADRO Cc1cc(C[NH2+]CCOc2ccc(S(C)(=O)=O)cc2)ncc1Br ZINC000623407598 565508051 /nfs/dbraw/zinc/50/80/51/565508051.db2.gz MYOAQNOVXADPDN-UHFFFAOYSA-N 1 0 399.310 2.725 20 0 GFADRO C[C@@H](O)CC[NH2+]Cc1cc(Cl)cc(Cl)c1OCCN1CCOCC1 ZINC000623419926 565509724 /nfs/dbraw/zinc/50/97/24/565509724.db2.gz BUSXFFHNUFFVDC-CYBMUJFWSA-N 1 0 377.312 2.565 20 0 GFADRO CN(C)c1c(C[NH2+]CCN(C)S(=O)(=O)c2cccs2)ccc(F)c1F ZINC000623467316 565512031 /nfs/dbraw/zinc/51/20/31/565512031.db2.gz DLONQDZEWGWYEB-UHFFFAOYSA-N 1 0 389.493 2.503 20 0 GFADRO Cc1c(Br)cncc1C(=O)Nc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000665853419 565513927 /nfs/dbraw/zinc/51/39/27/565513927.db2.gz JBLCUGJVVKTKAI-UHFFFAOYSA-N 1 0 390.285 2.552 20 0 GFADRO C[C@@H]1[C@@H]([NH+](C)C)CCN1c1ncnc2ccc(I)cc21 ZINC000596243251 565517004 /nfs/dbraw/zinc/51/70/04/565517004.db2.gz CLYLFTKBUCKMBD-YGRLFVJLSA-N 1 0 382.249 2.763 20 0 GFADRO C[NH+]1CCN(CCNC(=O)c2cc3cc(Br)ccc3s2)CC1 ZINC000623610224 565520582 /nfs/dbraw/zinc/52/05/82/565520582.db2.gz AXNDWIUPDPVBQC-UHFFFAOYSA-N 1 0 382.327 2.641 20 0 GFADRO CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]C[C@@H]1CCCN1CC(F)F ZINC000623625155 565521566 /nfs/dbraw/zinc/52/15/66/565521566.db2.gz KNUFHIKZWPNHED-ZDUSSCGKSA-N 1 0 380.888 2.953 20 0 GFADRO COc1cc(C[NH2+]C[C@@H]2CCCN2CC(F)F)cc(Br)c1O ZINC000623626892 565521834 /nfs/dbraw/zinc/52/18/34/565521834.db2.gz IVCZXSFJZBFLFN-NSHDSACASA-N 1 0 379.245 2.982 20 0 GFADRO CCc1nn(C)cc1C[NH2+][C@@]1(CO)CCc2cc(Br)ccc2C1 ZINC000623644795 565523150 /nfs/dbraw/zinc/52/31/50/565523150.db2.gz APSUOBWQDWNGBL-SFHVURJKSA-N 1 0 378.314 2.755 20 0 GFADRO CN(C(=O)c1cccc(F)c1Br)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000645398545 565523938 /nfs/dbraw/zinc/52/39/38/565523938.db2.gz JYTWHJHSLKAGEY-CQSZACIVSA-N 1 0 398.320 2.829 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+][C@@H]1CCS(=O)(=O)[C@@H]1C ZINC000623720024 565526991 /nfs/dbraw/zinc/52/69/91/565526991.db2.gz SJNVXPVSOKTQKI-MLGOLLRUSA-N 1 0 398.326 2.608 20 0 GFADRO C[C@@H]1[C@H]([NH2+]Cc2ccc(OC(F)F)c(Br)c2)CCS1(=O)=O ZINC000623719945 565527161 /nfs/dbraw/zinc/52/71/61/565527161.db2.gz PQYBHWVSOCDFIL-LDYMZIIASA-N 1 0 384.242 2.716 20 0 GFADRO Cc1cnc(N2CCO[C@@H](CCC[NH+](C)C)C2)c(I)c1 ZINC000596563982 565527348 /nfs/dbraw/zinc/52/73/48/565527348.db2.gz AHRDVJHQMHXJNM-ZDUSSCGKSA-N 1 0 389.281 2.542 20 0 GFADRO COc1ncc(Br)cc1CNC(=O)NC[C@H]1CC[N@H+](CC(C)C)C1 ZINC000623747835 565528185 /nfs/dbraw/zinc/52/81/85/565528185.db2.gz RXALSHLJYFLYKP-CYBMUJFWSA-N 1 0 399.333 2.630 20 0 GFADRO O=c1ccc([C@@H]2OCC[C@H]2[NH2+]Cc2cn3ccc(Br)cc3n2)c[nH]1 ZINC000623737813 565528235 /nfs/dbraw/zinc/52/82/35/565528235.db2.gz MQMKDISXUFCISX-PBHICJAKSA-N 1 0 389.253 2.817 20 0 GFADRO O=S(=O)(c1ncccc1C(F)(F)F)N1CCC([NH+]2CCCCC2)CC1 ZINC000645479308 565528978 /nfs/dbraw/zinc/52/89/78/565528978.db2.gz HZRYIBARYMSUKX-UHFFFAOYSA-N 1 0 377.432 2.739 20 0 GFADRO Cn1ccnc1C[C@@H]([NH2+]Cc1ccc(S(C)(=O)=O)s1)c1ccccc1 ZINC000666281700 565530700 /nfs/dbraw/zinc/53/07/00/565530700.db2.gz CPXWMFYBIDJQOS-MRXNPFEDSA-N 1 0 375.519 2.959 20 0 GFADRO O=C(NC[C@H]1CCC[N@H+](CC2CC2)C1)Nc1nnc(CC(F)(F)F)s1 ZINC000666378652 565534851 /nfs/dbraw/zinc/53/48/51/565534851.db2.gz HBKINBHXOSKWQT-LLVKDONJSA-N 1 0 377.436 2.886 20 0 GFADRO CCN(C(=O)Nc1ccc(Br)c(C(=O)OC)c1)[C@H]1CC[N@H+](C)C1 ZINC000596821839 565537985 /nfs/dbraw/zinc/53/79/85/565537985.db2.gz YJHABHUAGIVVDR-LBPRGKRZSA-N 1 0 384.274 2.794 20 0 GFADRO CN(CCC[NH+](C)C)CCNC(=O)Nc1cc(F)c(Br)cc1F ZINC000666435311 565538247 /nfs/dbraw/zinc/53/82/47/565538247.db2.gz ARMYPJVEJXVIRH-UHFFFAOYSA-N 1 0 393.276 2.732 20 0 GFADRO COc1cc(Br)cc(NC(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)c1 ZINC000666478850 565539348 /nfs/dbraw/zinc/53/93/48/565539348.db2.gz GTUONRCMOWXSGR-HNNXBMFYSA-N 1 0 398.301 2.833 20 0 GFADRO O=C(NC[C@H]1CC[N@@H+]1Cc1ccccc1)Nc1ccncc1Br ZINC000666492230 565540489 /nfs/dbraw/zinc/54/04/89/565540489.db2.gz BDSXBUZLKDQWDI-CQSZACIVSA-N 1 0 375.270 2.662 20 0 GFADRO CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCN2CC(F)F)cc1 ZINC000624095892 565542652 /nfs/dbraw/zinc/54/26/52/565542652.db2.gz OMHQQWJJYSDZTD-CJNGLKHVSA-N 1 0 375.485 2.828 20 0 GFADRO Brc1ccc2c(c1)[C@H]([NH2+][C@H]1CCN(c3ccc4nncn4n3)C1)CC2 ZINC000624117720 565544338 /nfs/dbraw/zinc/54/43/38/565544338.db2.gz VIIOTZFPBDJTPF-GOEBONIOSA-N 1 0 399.296 2.743 20 0 GFADRO CC[NH+]1CCN([C@@H](C)CNS(=O)(=O)c2cc3cccc(C)c3s2)CC1 ZINC000645667501 565549724 /nfs/dbraw/zinc/54/97/24/565549724.db2.gz IBFHCVYLEHJZHR-HNNXBMFYSA-N 1 0 381.567 2.514 20 0 GFADRO C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N[C@H](C)C1CC[NH+](C)CC1 ZINC000624270702 565550234 /nfs/dbraw/zinc/55/02/34/565550234.db2.gz DTWTZMHZXLLYKW-VXGBXAGGSA-N 1 0 386.323 2.958 20 0 GFADRO COc1ncc(Br)cc1CNC(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000624336155 565551316 /nfs/dbraw/zinc/55/13/16/565551316.db2.gz JRQYRIORKRQUFB-ZDUSSCGKSA-N 1 0 385.306 2.525 20 0 GFADRO COc1ncc(Br)cc1CNC(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000624336154 565551371 /nfs/dbraw/zinc/55/13/71/565551371.db2.gz JRQYRIORKRQUFB-CYBMUJFWSA-N 1 0 385.306 2.525 20 0 GFADRO Cc1cc(Br)c(F)cc1S(=O)(=O)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000624353018 565552553 /nfs/dbraw/zinc/55/25/53/565552553.db2.gz BTHVMXWVFTZVQC-MNOVXSKESA-N 1 0 379.295 2.563 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)cc1Br ZINC000645694472 565553294 /nfs/dbraw/zinc/55/32/94/565553294.db2.gz NAFTXGVUIQVQQV-SFHVURJKSA-N 1 0 394.313 2.559 20 0 GFADRO Cc1cc(S(=O)(=O)N2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)sc1Cl ZINC000624391907 565554366 /nfs/dbraw/zinc/55/43/66/565554366.db2.gz GHKQBOKGGPCIDW-DTWKUNHWSA-N 1 0 376.853 2.858 20 0 GFADRO COC(=O)[C@@H]1OCC[C@@H]1[NH2+]Cc1cc(Br)cc(Br)c1 ZINC000597188016 565554406 /nfs/dbraw/zinc/55/44/06/565554406.db2.gz RWAYKXCDELPTRN-NWDGAFQWSA-N 1 0 393.075 2.632 20 0 GFADRO Cc1cc(S(=O)(=O)N2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c(Cl)cc1F ZINC000624391052 565554811 /nfs/dbraw/zinc/55/48/11/565554811.db2.gz OVDMTOHSDDOTRY-UWVGGRQHSA-N 1 0 388.814 2.935 20 0 GFADRO C[C@@H]1CC[C@@H](NS(=O)(=O)c2cc(Cl)c(Br)cc2F)C[NH2+]1 ZINC000624405639 565556076 /nfs/dbraw/zinc/55/60/76/565556076.db2.gz NQLOMECTXVMMNS-HTQZYQBOSA-N 1 0 385.686 2.660 20 0 GFADRO CC[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000645736498 565556794 /nfs/dbraw/zinc/55/67/94/565556794.db2.gz QRYSZVKPKXETKL-XYPHTWIQSA-N 1 0 380.330 2.780 20 0 GFADRO COC(=O)[C@H]1C[C@@H]([NH2+]Cc2cc(Br)cc(Br)c2N)C1 ZINC000597221879 565556885 /nfs/dbraw/zinc/55/68/85/565556885.db2.gz WHLHXNBPDLZUQA-WKFQBHICSA-N 1 0 392.091 2.835 20 0 GFADRO COC(=O)[C@H]1C[C@H]([NH2+]C2CCN(Cc3ccccc3Br)CC2)C1 ZINC000597243707 565556995 /nfs/dbraw/zinc/55/69/95/565556995.db2.gz VFYWAHKOTLJKAP-KOMQPUFPSA-N 1 0 381.314 2.955 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)C1(c2ccc(I)cc2)CC1 ZINC000597532847 565562273 /nfs/dbraw/zinc/56/22/73/565562273.db2.gz MCMADTFNWCDNTE-HUUCEWRRSA-N 1 0 398.288 2.922 20 0 GFADRO O=C(Nc1cc(Br)ccc1-n1cccn1)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000667088233 565569106 /nfs/dbraw/zinc/56/91/06/565569106.db2.gz YMPIPQMMJJCRNV-IUODEOHRSA-N 1 0 390.285 2.851 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CN(C(=O)Nc2ccc(Cl)cc2OCC(F)(F)F)CCO1 ZINC000667104658 565570455 /nfs/dbraw/zinc/57/04/55/565570455.db2.gz OFZKZCNVQOKTDJ-ZANVPECISA-N 1 0 381.782 2.861 20 0 GFADRO C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1ccccc1I)C2 ZINC000597714238 565571903 /nfs/dbraw/zinc/57/19/03/565571903.db2.gz HHRUXGUEFSCCAU-MRXNPFEDSA-N 1 0 384.261 2.849 20 0 GFADRO C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)Cc1ccccc1I)C2 ZINC000597715550 565571920 /nfs/dbraw/zinc/57/19/20/565571920.db2.gz MFZJQTHNKWREKG-KRWDZBQOSA-N 1 0 398.288 2.778 20 0 GFADRO CCO[C@@H](C(=O)Nc1cc(Br)ccc1N1CC[NH+](C)CC1)C1CC1 ZINC000624715429 565573571 /nfs/dbraw/zinc/57/35/71/565573571.db2.gz CMJHUYQLWSFEBG-QGZVFWFLSA-N 1 0 396.329 2.955 20 0 GFADRO CN1CCOC[C@@H]1CNC(=O)N1CCC[C@@H]1c1ccccc1Br ZINC000624735673 565573964 /nfs/dbraw/zinc/57/39/64/565573964.db2.gz DJBKLXLSBRQVQQ-XJKSGUPXSA-N 1 0 382.302 2.626 20 0 GFADRO COc1cc(CNC(=O)N(C)[C@@H]2CC[N@@H+](C3CC3)C2)c(Br)cc1O ZINC000645922323 565574047 /nfs/dbraw/zinc/57/40/47/565574047.db2.gz PQXRAUFBQGIASF-CYBMUJFWSA-N 1 0 398.301 2.541 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)Nc2nc3cc(Br)ccn3n2)C1 ZINC000667192540 565575906 /nfs/dbraw/zinc/57/59/06/565575906.db2.gz XSZNNZRJAKNWFA-LLVKDONJSA-N 1 0 395.305 2.734 20 0 GFADRO C[C@@H]1CC[N@H+](CC(=O)NCc2cc(Cl)ccc2I)C1 ZINC000597895206 565579505 /nfs/dbraw/zinc/57/95/05/565579505.db2.gz UOTIEZSNRPHVGS-SNVBAGLBSA-N 1 0 392.668 2.903 20 0 GFADRO O=C(NCC[NH2+]C1CC1)C(=O)Nc1ccc(Br)c(Cl)c1Cl ZINC000667294267 565580204 /nfs/dbraw/zinc/58/02/04/565580204.db2.gz DPQMMKWIAVCSRG-UHFFFAOYSA-N 1 0 395.084 2.563 20 0 GFADRO COCCOc1ccc(Br)cc1NC(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000667339073 565582433 /nfs/dbraw/zinc/58/24/33/565582433.db2.gz IKZNQYDLKPJOCA-DOMZBBRYSA-N 1 0 398.301 2.690 20 0 GFADRO CC[C@@H]1CN(C(=O)Nc2cc(Br)cnc2-n2cccn2)CC[C@@H]1[NH3+] ZINC000667374782 565583690 /nfs/dbraw/zinc/58/36/90/565583690.db2.gz PGRQWNJCFBRTBX-YPMHNXCESA-N 1 0 393.289 2.621 20 0 GFADRO CCn1cnc(C(=O)N(CC[NH+](C)C)Cc2ccc(Br)cc2)c1 ZINC000667428106 565586886 /nfs/dbraw/zinc/58/68/86/565586886.db2.gz YXDKBDBOBLGPLQ-UHFFFAOYSA-N 1 0 379.302 2.870 20 0 GFADRO C[C@H](CCNC(=O)CCC[S@@](=O)c1ccc(Br)cc1)[NH+](C)C ZINC000597993674 565587370 /nfs/dbraw/zinc/58/73/70/565587370.db2.gz VJYMNYNOSWSFTK-MCMMXHMISA-N 1 0 389.359 2.793 20 0 GFADRO O=C(Nc1ccc(-c2ccc(Cl)s2)nc1)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000667505916 565591040 /nfs/dbraw/zinc/59/10/40/565591040.db2.gz GXKJZLRYIDMPQM-LLVKDONJSA-N 1 0 378.885 2.660 20 0 GFADRO Cc1c(F)c(Br)ccc1NC(=O)N1CC[N@@H+](C[C@H](C)O)C[C@H]1C ZINC000667503658 565591580 /nfs/dbraw/zinc/59/15/80/565591580.db2.gz SOSBWGXUVGKWRL-MNOVXSKESA-N 1 0 388.281 2.815 20 0 GFADRO CC(C)[C@H]1CN(C(=O)C(=O)Nc2cc(Cl)cc(C(F)(F)F)c2)CC[NH2+]1 ZINC000667520595 565592317 /nfs/dbraw/zinc/59/23/17/565592317.db2.gz QUPKSEFUNLIQAS-CYBMUJFWSA-N 1 0 377.794 2.754 20 0 GFADRO CC[C@@H]1CN(C(=O)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC[C@@H]1[NH3+] ZINC000667548509 565594533 /nfs/dbraw/zinc/59/45/33/565594533.db2.gz ORHHTCHDNUQORQ-RNCFNFMXSA-N 1 0 377.794 2.883 20 0 GFADRO CCC(F)(F)C(C)(C)CS(=O)(=O)N1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000625080206 565596257 /nfs/dbraw/zinc/59/62/57/565596257.db2.gz MWYYNAPUZRRQBI-QLFBSQMISA-N 1 0 382.517 2.571 20 0 GFADRO CC[C@H](C(=O)N[C@H](C(=O)OC)c1ccccc1Br)[NH+](CC)CC ZINC000598181588 565597739 /nfs/dbraw/zinc/59/77/39/565597739.db2.gz ALQUZQNBRXUQSG-CABCVRRESA-N 1 0 385.302 2.900 20 0 GFADRO C[C@H]1C[C@@H](C(=O)N2CC[C@H](Oc3cncc(Br)c3)C2)CC[N@@H+]1C ZINC000646342432 565598976 /nfs/dbraw/zinc/59/89/76/565598976.db2.gz CHMAZMMKQYHWBP-YDHLFZDLSA-N 1 0 382.302 2.554 20 0 GFADRO O=C(c1cnc(-c2ccccc2Cl)s1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000646350228 565600169 /nfs/dbraw/zinc/60/01/69/565600169.db2.gz IQNULFXQTALARZ-ZDUSSCGKSA-N 1 0 376.913 2.583 20 0 GFADRO COCCC[NH+]1CCC(NC(=O)c2ccc(Br)c(OC)c2)CC1 ZINC000625133589 565601253 /nfs/dbraw/zinc/60/12/53/565601253.db2.gz MCUNWTRQRQNTMD-UHFFFAOYSA-N 1 0 385.302 2.688 20 0 GFADRO O[C@@H]1CCC[C@H]1[NH+]1CCN(Cc2ccc(Br)c(F)c2F)CC1 ZINC000625135375 565602292 /nfs/dbraw/zinc/60/22/92/565602292.db2.gz KUFOWHGCDWLNIK-ZIAGYGMSSA-N 1 0 375.257 2.758 20 0 GFADRO CC(=O)NCc1ccc(-c2nc(NC(=O)[C@@H](C)[NH2+]C3CC3)sc2C)s1 ZINC000646420894 565602403 /nfs/dbraw/zinc/60/24/03/565602403.db2.gz KPHPCBCCICRENT-SECBINFHSA-N 1 0 378.523 2.895 20 0 GFADRO CC[NH+](CC)C[C@@H](C)NS(=O)(=O)c1c(OC)cccc1OC(F)(F)F ZINC000625140819 565602606 /nfs/dbraw/zinc/60/26/06/565602606.db2.gz BOXGTKBCNWJUCP-LLVKDONJSA-N 1 0 384.420 2.602 20 0 GFADRO Cc1ncsc1-c1ccc(C[N@@H+](C)C2CCN(S(C)(=O)=O)CC2)cc1 ZINC000667700346 565602808 /nfs/dbraw/zinc/60/28/08/565602808.db2.gz YYDHIXBCOOPWBJ-UHFFFAOYSA-N 1 0 379.551 2.974 20 0 GFADRO CC(C)n1cc(Br)cc1C(=O)N1CCOC[C@H]1[C@@H]1CCC[N@@H+]1C ZINC000646440925 565603269 /nfs/dbraw/zinc/60/32/69/565603269.db2.gz XPEPCRQYHBONJX-HOCLYGCPSA-N 1 0 384.318 2.767 20 0 GFADRO O=C1Nc2ccc(Br)cc2CC[C@@H]1[NH+]1CCC(OCCCO)CC1 ZINC000625226264 565608896 /nfs/dbraw/zinc/60/88/96/565608896.db2.gz ZODRXPZXOKHIML-KRWDZBQOSA-N 1 0 397.313 2.566 20 0 GFADRO CCC[N@@H+]1CC[C@@H](NC(=O)c2cc(I)ccc2F)C1 ZINC000598343020 565610725 /nfs/dbraw/zinc/61/07/25/565610725.db2.gz ROKZNOWVQKLGMJ-LLVKDONJSA-N 1 0 376.213 2.644 20 0 GFADRO CC(C)[NH2+]CCCNC(=O)[C@@H](NC(=O)c1ccccc1Br)C(C)C ZINC000646690917 565614496 /nfs/dbraw/zinc/61/44/96/565614496.db2.gz HGZNBXFTBMJQIV-INIZCTEOSA-N 1 0 398.345 2.708 20 0 GFADRO O=C(Nc1cccc(Br)c1F)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000667924692 565615183 /nfs/dbraw/zinc/61/51/83/565615183.db2.gz YHZURAXLKRVXQV-ZIAGYGMSSA-N 1 0 386.265 2.651 20 0 GFADRO CC(C)[C@@H](C(=O)Nc1nc2cc(I)ccc2[nH]1)[NH+](C)C ZINC000598426128 565615981 /nfs/dbraw/zinc/61/59/81/565615981.db2.gz YCAPGYOWYLTUSB-LBPRGKRZSA-N 1 0 386.237 2.692 20 0 GFADRO CCCN(C(=O)C(=O)Nc1c(C)cc(Br)cc1C)[C@@H]1CC[N@H+](C)C1 ZINC000646768192 565617809 /nfs/dbraw/zinc/61/78/09/565617809.db2.gz OROPGXIZJTVTPU-OAHLLOKOSA-N 1 0 396.329 2.947 20 0 GFADRO [NH3+]CCCOC1CCN(C(=O)c2c[nH]c3ccc(Br)cc23)CC1 ZINC000646829257 565622487 /nfs/dbraw/zinc/62/24/87/565622487.db2.gz XQTPBTHYNATEQJ-UHFFFAOYSA-N 1 0 380.286 2.900 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CN(C(=O)CCCSc2ccc(Br)cc2)CCO1 ZINC000646845229 565623167 /nfs/dbraw/zinc/62/31/67/565623167.db2.gz HGTDATBPZXRKHC-DOMZBBRYSA-N 1 0 387.343 2.896 20 0 GFADRO C[N@@H+]1CCCC[C@H](CNS(=O)(=O)c2cc(F)ccc2Br)C1 ZINC000625421681 565629463 /nfs/dbraw/zinc/62/94/63/565629463.db2.gz NZDLVVZPINSOLW-LLVKDONJSA-N 1 0 379.295 2.598 20 0 GFADRO CC[C@H]1CN(C(=O)c2ccc(-n3cc(Br)cn3)cc2)CC[C@H]1[NH3+] ZINC000647005983 565632397 /nfs/dbraw/zinc/63/23/97/565632397.db2.gz IRMDZRSLGUMFJL-BLLLJJGKSA-N 1 0 377.286 2.834 20 0 GFADRO CC[C@H]1CN(C(=O)c2ncc(Br)cc2Br)CC[C@H]1[NH3+] ZINC000647008523 565632426 /nfs/dbraw/zinc/63/24/26/565632426.db2.gz PYBIGABRNYZCCV-GZMMTYOYSA-N 1 0 391.107 2.806 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)CCc2ccc(Br)cc2F)CC12CCOCC2 ZINC000647079021 565635325 /nfs/dbraw/zinc/63/53/25/565635325.db2.gz QVGCGBUCRHLXLF-CQSZACIVSA-N 1 0 399.304 2.735 20 0 GFADRO [NH3+]CC[C@@H](NC(=O)[C@H](c1ccc(Br)cc1)N1CCCC1)C(F)F ZINC000647071347 565635467 /nfs/dbraw/zinc/63/54/67/565635467.db2.gz NZEIKTBKXSJNPD-KGLIPLIRSA-N 1 0 390.272 2.685 20 0 GFADRO O=C(CCCOc1ccccc1Br)N[C@H]1C[NH2+]CCC1(F)F ZINC000647075976 565635486 /nfs/dbraw/zinc/63/54/86/565635486.db2.gz ICBSVKHHUANUAO-ZDUSSCGKSA-N 1 0 377.229 2.722 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]1C1CCN(C(=O)C2(c3ccc(Br)cc3)CC2)CC1 ZINC000647076725 565635823 /nfs/dbraw/zinc/63/58/23/565635823.db2.gz MSLGIXYEBUAJFV-SJORKVTESA-N 1 0 393.325 2.836 20 0 GFADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)Cc1c(Cl)cccc1Br ZINC000668262214 565635988 /nfs/dbraw/zinc/63/59/88/565635988.db2.gz JZNLJHSFDAKXQU-GFCCVEGCSA-N 1 0 389.721 2.872 20 0 GFADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)Nc1ccc(OC(F)(F)F)cc1Cl ZINC000668246806 565636469 /nfs/dbraw/zinc/63/64/69/565636469.db2.gz PTEGCLQOZWSARI-JTQLQIEISA-N 1 0 380.798 2.606 20 0 GFADRO O=C1[C@H](c2nc([C@@H]3CCC[NH2+]3)no2)CCN1c1cccc(Br)c1 ZINC000647152392 565641249 /nfs/dbraw/zinc/64/12/49/565641249.db2.gz DDZYVMIEMXRSPM-STQMWFEESA-N 1 0 377.242 2.777 20 0 GFADRO Cc1c(-c2nc([C@@H]3CCC[NH2+]3)no2)nnn1-c1cccc(Br)c1 ZINC000647151503 565641742 /nfs/dbraw/zinc/64/17/42/565641742.db2.gz IFAUXZDTPWRVGK-LBPRGKRZSA-N 1 0 375.230 2.813 20 0 GFADRO C[C@H]([NH2+]Cc1cc(OC(F)F)ccc1Br)[C@@H]1CN(C)CCO1 ZINC000647193496 565645835 /nfs/dbraw/zinc/64/58/35/565645835.db2.gz CCDJZFFERVDODJ-HZMBPMFUSA-N 1 0 379.245 2.859 20 0 GFADRO CC1CC[NH+](CCCNC(=O)C(=O)NCc2ccc(Cl)c(Cl)c2)CC1 ZINC000668399123 565645791 /nfs/dbraw/zinc/64/57/91/565645791.db2.gz VPMLTNWWJZVDHO-UHFFFAOYSA-N 1 0 386.323 2.848 20 0 GFADRO COC1CC[NH+](C(C)(C)CNC(=O)c2cncc(Br)c2C)CC1 ZINC000668436652 565646951 /nfs/dbraw/zinc/64/69/51/565646951.db2.gz KTMPJULPHWVFQU-UHFFFAOYSA-N 1 0 384.318 2.772 20 0 GFADRO Cc1ccc(S(=O)(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cc1Br ZINC000647238402 565648116 /nfs/dbraw/zinc/64/81/16/565648116.db2.gz LYTRRITWASVMHY-CJNGLKHVSA-N 1 0 387.343 2.910 20 0 GFADRO CO[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+][C@@H]1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000668506262 565650481 /nfs/dbraw/zinc/65/04/81/565650481.db2.gz IMIIQGRDJRTLAB-DMRZNYOFSA-N 1 0 377.428 2.743 20 0 GFADRO CO[C@H](CS(=O)(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1)C(C)C ZINC000647267312 565651040 /nfs/dbraw/zinc/65/10/40/565651040.db2.gz XXLKFWCQANFOGR-MRXNPFEDSA-N 1 0 378.922 2.693 20 0 GFADRO O=S(=O)(Cc1cc(Cl)ccc1Br)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000647264778 565651082 /nfs/dbraw/zinc/65/10/82/565651082.db2.gz RVPHFFVFYHEANZ-YGRLFVJLSA-N 1 0 393.734 2.616 20 0 GFADRO CCOc1ccc(S(=O)(=O)N2CC[C@H]([NH3+])[C@@H](CC)C2)cc1Br ZINC000647268766 565651532 /nfs/dbraw/zinc/65/15/32/565651532.db2.gz HGQQDLAURZPLFE-FZMZJTMJSA-N 1 0 391.331 2.596 20 0 GFADRO CC[C@H]1CN(S(=O)(=O)c2cc(Br)c(C)cc2OC)CC[C@@H]1[NH3+] ZINC000647269708 565651571 /nfs/dbraw/zinc/65/15/71/565651571.db2.gz YKZDBSLUMQIYTF-AAEUAGOBSA-N 1 0 391.331 2.514 20 0 GFADRO CC[C@@H]1CN(S(=O)(=O)c2cc(C)c(Br)cc2C)CC[C@H]1[NH3+] ZINC000647268375 565651712 /nfs/dbraw/zinc/65/17/12/565651712.db2.gz AQKQGAIWJPYZLB-TZMCWYRMSA-N 1 0 375.332 2.814 20 0 GFADRO C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+][C@H]1CC[C@H](C)S(=O)(=O)C1 ZINC000668561515 565655151 /nfs/dbraw/zinc/65/51/51/565655151.db2.gz PCTKXTWBTGIIGQ-YCPHGPKFSA-N 1 0 386.945 2.632 20 0 GFADRO O[C@H](Cn1cccn1)C[N@@H+]1CC[C@H](Sc2ccc(Br)cc2)C1 ZINC000625706306 565655198 /nfs/dbraw/zinc/65/51/98/565655198.db2.gz ZQQMCHFXOCMZSH-HOCLYGCPSA-N 1 0 382.327 2.873 20 0 GFADRO COC(=O)CCNC(=O)CC[NH2+][C@H]1CCCCc2ccc(Br)cc21 ZINC000599083302 565655827 /nfs/dbraw/zinc/65/58/27/565655827.db2.gz XQKAXKYKINFEKJ-INIZCTEOSA-N 1 0 397.313 2.876 20 0 GFADRO CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2Cc3ccccc3O[C@H]2C(F)(F)F)C1 ZINC000625744658 565656479 /nfs/dbraw/zinc/65/64/79/565656479.db2.gz PRRSAJIZLIWEJR-DSJMHWKBSA-N 1 0 377.428 2.866 20 0 GFADRO C[C@]12COC[C@H]1C[N@H+](Cc1ccc(Br)cc1N1CCOCC1)C2 ZINC000668596441 565657192 /nfs/dbraw/zinc/65/71/92/565657192.db2.gz HVJDZBRPMDFMLG-QAPCUYQASA-N 1 0 381.314 2.754 20 0 GFADRO C[C@H]([NH2+]C[C@H](O)COC[C@@H]1CCCO1)c1cc(F)c(Br)cc1F ZINC000625752348 565657225 /nfs/dbraw/zinc/65/72/25/565657225.db2.gz UUJMLYGLZPPFBB-SRVKXCTJSA-N 1 0 394.256 2.934 20 0 GFADRO O=S(=O)(Cc1ccc(Br)cc1Cl)N1CCC2(CC[NH2+]2)CC1 ZINC000647324612 565658179 /nfs/dbraw/zinc/65/81/79/565658179.db2.gz BRKPPFWBXMHTHM-UHFFFAOYSA-N 1 0 393.734 2.760 20 0 GFADRO O=S(=O)(c1ccc(Br)s1)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000647323465 565658386 /nfs/dbraw/zinc/65/83/86/565658386.db2.gz OIYLGNSPJJZRMY-WDEREUQCSA-N 1 0 379.345 2.521 20 0 GFADRO COc1ccnc(C[NH2+][C@@]2(CO)CCc3cc(Br)ccc3C2)c1 ZINC000625794862 565659295 /nfs/dbraw/zinc/65/92/95/565659295.db2.gz ONKDIRCNKHNTQE-SFHVURJKSA-N 1 0 377.282 2.862 20 0 GFADRO CN(Cc1cc(Br)cs1)C(=O)C[NH2+][C@](C)(CO)c1ccccc1 ZINC000599173764 565660110 /nfs/dbraw/zinc/66/01/10/565660110.db2.gz XNJMXTCSYIBPOT-QGZVFWFLSA-N 1 0 397.338 2.966 20 0 GFADRO C[C@@H]1CC[C@H](NC(=O)Nc2cc(Br)ccc2N2CCOCC2)C[NH2+]1 ZINC000625848870 565662305 /nfs/dbraw/zinc/66/23/05/565662305.db2.gz LZQRWGKAYPZEJI-OCCSQVGLSA-N 1 0 397.317 2.548 20 0 GFADRO CC1(C)CCC[C@](CO)([NH2+]Cc2nnnn2-c2ccccc2Br)C1 ZINC000625836326 565662793 /nfs/dbraw/zinc/66/27/93/565662793.db2.gz ZTGSVMIXHSFQED-KRWDZBQOSA-N 1 0 394.317 2.846 20 0 GFADRO O[C@H](C[NH2+]C[C@H]1CC[C@H](O)C1)COc1ccc(Cl)cc1Br ZINC000647528843 565662980 /nfs/dbraw/zinc/66/29/80/565662980.db2.gz JYMUWTBFPDYARP-WCFLWFBJSA-N 1 0 378.694 2.593 20 0 GFADRO CCOCCOc1ccc(Br)cc1CN1C[C@@H](F)C[C@H]1C[NH2+]C ZINC000647539712 565663543 /nfs/dbraw/zinc/66/35/43/565663543.db2.gz CISXPEYJBORQOL-HOTGVXAUSA-N 1 0 389.309 2.996 20 0 GFADRO OC[C@@H](C[NH2+]C[C@H](O)COc1ccccc1)Cc1ccc(Br)cc1 ZINC000647535193 565663830 /nfs/dbraw/zinc/66/38/30/565663830.db2.gz VGHKYKQTDIRADJ-AEFFLSMTSA-N 1 0 394.309 2.630 20 0 GFADRO C[NH2+]CCOCCN(C)C(=O)Nc1cc(Br)cc2nc(C)oc21 ZINC000625879079 565664333 /nfs/dbraw/zinc/66/43/33/565664333.db2.gz FVUPVBVLSRGYGM-UHFFFAOYSA-N 1 0 385.262 2.598 20 0 GFADRO C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CCC(Sc2ccc(Cl)cc2)CC1 ZINC000647597828 565665384 /nfs/dbraw/zinc/66/53/84/565665384.db2.gz RWCCNEJSTJSVJU-OLZOCXBDSA-N 1 0 383.945 2.665 20 0 GFADRO C[NH+](C)CCC[C@@H]1CN(Cc2cn3ccc(Br)cc3n2)CCO1 ZINC000668784826 565666053 /nfs/dbraw/zinc/66/60/53/565666053.db2.gz JBNCYENFNWJYSD-MRXNPFEDSA-N 1 0 381.318 2.639 20 0 GFADRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)[C@@H]1CCO[C@H]1c1cncc(Br)c1 ZINC000668800368 565667393 /nfs/dbraw/zinc/66/73/93/565667393.db2.gz MUNDJRPULYPFKV-XKQJLSEDSA-N 1 0 396.329 2.722 20 0 GFADRO Cn1cc(CC[N@@H+]2CCC[C@@H]2c2ccccc2I)nn1 ZINC000599296245 565668926 /nfs/dbraw/zinc/66/89/26/565668926.db2.gz SFOVGYWEHGPPHA-OAHLLOKOSA-N 1 0 382.249 2.799 20 0 GFADRO NS(=O)(=O)NC1CC[NH+]([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000626033714 565670728 /nfs/dbraw/zinc/67/07/28/565670728.db2.gz ZNOKFCUHRKCSBR-GOSISDBHSA-N 1 0 379.913 2.687 20 0 GFADRO Cc1noc([C@@H]2OCC[C@@H]2[NH2+]CCOc2cc(F)cc(Br)c2)n1 ZINC000626144135 565677955 /nfs/dbraw/zinc/67/79/55/565677955.db2.gz UAPVMMDPBOUIRY-UONOGXRCSA-N 1 0 386.221 2.778 20 0 GFADRO C[N@@H+]1CCC[C@@H]1[C@H]1COCCN1C(=O)CCc1cccc(Br)c1 ZINC000647824023 565680089 /nfs/dbraw/zinc/68/00/89/565680089.db2.gz RIQZHDZIJWHCRX-IAGOWNOFSA-N 1 0 381.314 2.703 20 0 GFADRO CNS(=O)(=O)C[C@H]1CCC[N@@H+]([C@H](C)c2ccccc2Br)C1 ZINC000626169958 565680918 /nfs/dbraw/zinc/68/09/18/565680918.db2.gz WEHZJXHKMVXMAX-OLZOCXBDSA-N 1 0 375.332 2.771 20 0 GFADRO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]([C@H](C)c2ccccc2Br)C1 ZINC000626169957 565681333 /nfs/dbraw/zinc/68/13/33/565681333.db2.gz WEHZJXHKMVXMAX-CHWSQXEVSA-N 1 0 375.332 2.771 20 0 GFADRO Cc1cc(Br)c(F)c(C(=O)NCCCC[N@@H+]2CCC[C@@H]2CO)c1 ZINC000626201257 565682520 /nfs/dbraw/zinc/68/25/20/565682520.db2.gz ASMXRVCSKIBSRV-CYBMUJFWSA-N 1 0 387.293 2.863 20 0 GFADRO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1ccc(OC(F)(F)F)c(Cl)c1 ZINC000626200975 565682560 /nfs/dbraw/zinc/68/25/60/565682560.db2.gz IRJLBIXNJJWKHS-LBPRGKRZSA-N 1 0 380.794 2.815 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H]2CN(CC(=O)Nc3c(F)cc(F)cc3Br)C[C@H]21 ZINC000647907839 565683596 /nfs/dbraw/zinc/68/35/96/565683596.db2.gz BECXLPRTOQVYIP-GLXFQSAKSA-N 1 0 388.256 2.725 20 0 GFADRO CC1(OCC(=O)Nc2nc3ccc(OCC(F)(F)F)cc3s2)C[NH2+]C1 ZINC000647953280 565685235 /nfs/dbraw/zinc/68/52/35/565685235.db2.gz BEOXQQDARJHJBG-UHFFFAOYSA-N 1 0 375.372 2.554 20 0 GFADRO C[C@H](NC(=O)NC[C@@H]1CCCC[NH2+]1)c1cc2c(cc1Br)OCCO2 ZINC000669399043 565687447 /nfs/dbraw/zinc/68/74/47/565687447.db2.gz ATMSICCERNVNPR-RYUDHWBXSA-N 1 0 398.301 2.723 20 0 GFADRO C[N@@H+]1CCC[C@H](NC(=O)Nc2nnc(COc3ccc(Cl)cc3)s2)C1 ZINC000669415433 565687717 /nfs/dbraw/zinc/68/77/17/565687717.db2.gz LCUFLCZOXJJQBG-LBPRGKRZSA-N 1 0 381.889 2.986 20 0 GFADRO O=C(NCCC1=CC[NH2+]CC1)N[C@@H]1CCOc2ccc(Br)cc21 ZINC000669406725 565687989 /nfs/dbraw/zinc/68/79/89/565687989.db2.gz ACXDQVBPXQPLCF-OAHLLOKOSA-N 1 0 380.286 2.882 20 0 GFADRO O=C(NC[C@@H]1CCN(c2cccc(Br)c2)C1)N[C@@H]1CCC[NH2+]CC1 ZINC000669411020 565688156 /nfs/dbraw/zinc/68/81/56/565688156.db2.gz KPPGZTDHUONHOI-GOEBONIOSA-N 1 0 395.345 2.717 20 0 GFADRO COC(=O)[C@]1(OC)CC[N@H+](CCCC(=O)c2ccc(Br)cc2)C1 ZINC000599565751 565689456 /nfs/dbraw/zinc/68/94/56/565689456.db2.gz WKVDQQLWHGOILT-KRWDZBQOSA-N 1 0 384.270 2.676 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CN(C(=O)NCc2cc(Cl)cc(Cl)c2OC(F)F)CCO1 ZINC000669526778 565691772 /nfs/dbraw/zinc/69/17/72/565691772.db2.gz NSMFNGHRZCOZGY-PRHODGIISA-N 1 0 398.237 2.852 20 0 GFADRO C[C@@H](CC(=O)N1CC[NH2+]C[C@H]1c1ccccc1)n1cc(Br)cn1 ZINC000648177545 565692016 /nfs/dbraw/zinc/69/20/16/565692016.db2.gz GSXZJRAEXPAHJF-BBRMVZONSA-N 1 0 377.286 2.770 20 0 GFADRO COC(=O)c1cc(NC(=O)N[C@H]2CC[C@H](C)[NH2+]C2)c(Br)cc1F ZINC000599608243 565692522 /nfs/dbraw/zinc/69/25/22/565692522.db2.gz NCHMPIVSZZKEBP-IUCAKERBSA-N 1 0 388.237 2.637 20 0 GFADRO CCCOC[C@H](Cc1cccc(Br)c1)NC(=O)NC/C=C\C[NH3+] ZINC000669563506 565693099 /nfs/dbraw/zinc/69/30/99/565693099.db2.gz RMHTVADTVOCNMH-QGZUEGPWSA-N 1 0 384.318 2.601 20 0 GFADRO COc1ccc(Br)cc1C1(NC(=O)C[C@@H]2CSCC[NH2+]2)CC1 ZINC000648191681 565693438 /nfs/dbraw/zinc/69/34/38/565693438.db2.gz WOMBVZWKGDFQEE-GFCCVEGCSA-N 1 0 385.327 2.658 20 0 GFADRO COc1ccc(Br)cc1C1(NC(=O)[C@@H]2CC23CC[NH2+]CC3)CC1 ZINC000648191607 565693659 /nfs/dbraw/zinc/69/36/59/565693659.db2.gz RXPQTBKIQSUTOK-AWEZNQCLSA-N 1 0 379.298 2.953 20 0 GFADRO O=C(N[C@@H]1CC[NH2+]C12CCCC2)c1cc(Br)c2c(c1)OCCO2 ZINC000648209644 565693757 /nfs/dbraw/zinc/69/37/57/565693757.db2.gz ZVLSCNKADLKGCZ-CQSZACIVSA-N 1 0 381.270 2.625 20 0 GFADRO Cc1ccc(C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)c(C)c1Br ZINC000669622768 565695932 /nfs/dbraw/zinc/69/59/32/565695932.db2.gz SMVOIGGEDQNWEQ-UHFFFAOYSA-N 1 0 382.346 2.822 20 0 GFADRO CS[C@@H]1CN(C(=O)c2cc(O)cc(Br)c2)C[C@H]1[NH+]1CCCC1 ZINC000599761940 565700125 /nfs/dbraw/zinc/70/01/25/565700125.db2.gz LXAUILYGNGRQQK-HUUCEWRRSA-N 1 0 385.327 2.807 20 0 GFADRO C[C@@H](CC(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1)n1cc(Br)cn1 ZINC000648337772 565704767 /nfs/dbraw/zinc/70/47/67/565704767.db2.gz QTILSIWSAJSQCL-DZGCQCFKSA-N 1 0 383.334 2.787 20 0 GFADRO COc1ccc(NC(=O)NC[C@]2([NH+](C)C)CCSC2)c(C(F)(F)F)n1 ZINC000669988877 565710109 /nfs/dbraw/zinc/71/01/09/565710109.db2.gz JACNOXWKDWHUTQ-CQSZACIVSA-N 1 0 378.420 2.668 20 0 GFADRO CC(C)c1cc(Br)ccc1NC(=O)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000626851852 565712953 /nfs/dbraw/zinc/71/29/53/565712953.db2.gz WLZLTVDFYUMZTP-OAHLLOKOSA-N 1 0 394.313 2.912 20 0 GFADRO CC(C)[C@H]1C[NH2+]CCN1C(=O)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000626844492 565713208 /nfs/dbraw/zinc/71/32/08/565713208.db2.gz LNMOQNIYLOGGIG-CYBMUJFWSA-N 1 0 377.794 2.754 20 0 GFADRO [NH3+]C1(CNC(=O)C(=O)Nc2cc(Cl)c(Br)cc2F)CCCC1 ZINC000626841856 565713584 /nfs/dbraw/zinc/71/35/84/565713584.db2.gz GCCYTKUUKYDVSN-UHFFFAOYSA-N 1 0 392.656 2.568 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)CC[C@H]1C(F)(F)F ZINC000626861376 565714012 /nfs/dbraw/zinc/71/40/12/565714012.db2.gz NGHAUSDHDRZKOT-PSASIEDQSA-N 1 0 398.212 2.918 20 0 GFADRO C[C@@H]1CC[C@H](NC(=O)C(=O)Nc2cccnc2-c2ccc(Cl)s2)C[NH2+]1 ZINC000626892909 565714206 /nfs/dbraw/zinc/71/42/06/565714206.db2.gz IZPKZDJSGPKIED-MNOVXSKESA-N 1 0 378.885 2.659 20 0 GFADRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)Nc1cc(Cl)cc(C)c1Br ZINC000626863179 565714237 /nfs/dbraw/zinc/71/42/37/565714237.db2.gz AOMCKWPKVFHQAI-WDEREUQCSA-N 1 0 388.693 2.606 20 0 GFADRO C[C@@H]1C[C@@H]([NH2+]Cc2cc(F)cc(Br)c2)C(=O)N1c1cnn(C)c1 ZINC000648464228 565714977 /nfs/dbraw/zinc/71/49/77/565714977.db2.gz OLPKKECYFMSJAA-MEBBXXQBSA-N 1 0 381.249 2.605 20 0 GFADRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@@H](C)[C@@H](OC)c1ccc(Br)cc1 ZINC000627010242 565719124 /nfs/dbraw/zinc/71/91/24/565719124.db2.gz XQDKAQLTZCJCGY-DANNLKNASA-N 1 0 384.318 2.965 20 0 GFADRO C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)N[C@@H]1CCOc3c(Br)cccc31)C2 ZINC000627030706 565720680 /nfs/dbraw/zinc/72/06/80/565720680.db2.gz WFTKMDOPWIFOHC-OLMNPRSZSA-N 1 0 394.313 2.914 20 0 GFADRO CN(Cc1ccc(Br)cc1Cl)C(=O)NCC1([NH3+])CCOCC1 ZINC000627149942 565723276 /nfs/dbraw/zinc/72/32/76/565723276.db2.gz UCPYOYMLQCGZDM-UHFFFAOYSA-N 1 0 390.709 2.752 20 0 GFADRO C[N@@H+]1CCCC[C@H](CNC(=O)c2ccc(F)cc2I)C1 ZINC000600310110 565724124 /nfs/dbraw/zinc/72/41/24/565724124.db2.gz GPUBRYZXGXRYSN-LLVKDONJSA-N 1 0 390.240 2.892 20 0 GFADRO C[C@@H]1[C@H](C(=O)N2CCN(C(=O)c3cc(Cl)cc(Cl)c3)CC2)CC[N@@H+]1C ZINC000648726309 565724421 /nfs/dbraw/zinc/72/44/21/565724421.db2.gz IDMCCKYQLTVVOS-MLGOLLRUSA-N 1 0 384.307 2.618 20 0 GFADRO CC(C)CN(Cc1ccccc1Br)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627187545 565725010 /nfs/dbraw/zinc/72/50/10/565725010.db2.gz GZFDNYIGGZYDNL-OAHLLOKOSA-N 1 0 384.318 2.605 20 0 GFADRO C[C@@H]1[C@H](C(=O)N2CCN(C(=O)c3cccc(Cl)c3Cl)CC2)CC[N@@H+]1C ZINC000648738542 565725100 /nfs/dbraw/zinc/72/51/00/565725100.db2.gz YXQKTAVQBFPPPX-CHWSQXEVSA-N 1 0 384.307 2.618 20 0 GFADRO CC[NH+]1CCC(CNC(=O)c2c3ccc(Br)cc3nn2C)CC1 ZINC000648748900 565726279 /nfs/dbraw/zinc/72/62/79/565726279.db2.gz AGZJHACTECJGJH-UHFFFAOYSA-N 1 0 379.302 2.798 20 0 GFADRO Cc1cc(CC(C)(C)NC(=O)NCCOCCC[NH3+])ccc1Br ZINC000627219572 565726998 /nfs/dbraw/zinc/72/69/98/565726998.db2.gz HBQSPCNNCULBOY-UHFFFAOYSA-N 1 0 386.334 2.743 20 0 GFADRO [NH3+]CCCOCCNC(=O)N1CCC[C@H]1c1cc(F)cc(Br)c1 ZINC000627216389 565727428 /nfs/dbraw/zinc/72/74/28/565727428.db2.gz RPMXRWOSQOMKSK-HNNXBMFYSA-N 1 0 388.281 2.800 20 0 GFADRO CC(C)[C@@](C)(NC(=O)NCCOCCC[NH3+])c1ccc(Br)cc1 ZINC000627217099 565727520 /nfs/dbraw/zinc/72/75/20/565727520.db2.gz CPUGOVNLWKSMHG-QGZVFWFLSA-N 1 0 386.334 2.985 20 0 GFADRO O=C(CCc1nc2cc(Cl)ccc2s1)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000627257266 565728954 /nfs/dbraw/zinc/72/89/54/565728954.db2.gz DYPNVTGBLBYPLC-KBPBESRZSA-N 1 0 379.913 2.550 20 0 GFADRO Cn1nccc1[C@@H]1C[C@@H]([NH2+]Cc2cc3c(c(Br)c2)OCO3)CCO1 ZINC000648783454 565729769 /nfs/dbraw/zinc/72/97/69/565729769.db2.gz XOWSIKGCMMSVDW-WFASDCNBSA-N 1 0 394.269 2.921 20 0 GFADRO CCc1nn(C)cc1C[NH2+]C[C@H](CO)Cc1ccc(C)c(Br)c1 ZINC000648787032 565729869 /nfs/dbraw/zinc/72/98/69/565729869.db2.gz UCDJCGXVTHFWCI-OAHLLOKOSA-N 1 0 380.330 2.994 20 0 GFADRO C[C@H](CC(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1)n1cc(Br)cn1 ZINC000648806140 565731274 /nfs/dbraw/zinc/73/12/74/565731274.db2.gz YPVNLYYKAVDUTN-UKRRQHHQSA-N 1 0 383.334 2.787 20 0 GFADRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1c2ccc(Br)cc2nn1C ZINC000648822190 565732476 /nfs/dbraw/zinc/73/24/76/565732476.db2.gz NGQUYCKQWMBAOT-ZUZCIYMTSA-N 1 0 377.286 2.548 20 0 GFADRO C[C@H](CNC(=O)C(=O)N[C@@H]1CC[NH2+]C12CCC2)c1c(Cl)cccc1Cl ZINC000627365894 565734841 /nfs/dbraw/zinc/73/48/41/565734841.db2.gz BIPPNKHCNNRDSM-BXUZGUMPSA-N 1 0 384.307 2.614 20 0 GFADRO C[C@H]1CC[C@@H](NC(=O)C(=O)N(Cc2cccs2)Cc2cccs2)C[NH2+]1 ZINC000627478100 565737459 /nfs/dbraw/zinc/73/74/59/565737459.db2.gz HMGODJWULSBNQF-UONOGXRCSA-N 1 0 377.535 2.595 20 0 GFADRO C[C@@H](CCNC(=O)C(=O)Nc1cc(Cl)c(Br)cc1F)[NH+](C)C ZINC000627639107 565745030 /nfs/dbraw/zinc/74/50/30/565745030.db2.gz IZLQCASVXXDRCL-QMMMGPOBSA-N 1 0 394.672 2.637 20 0 GFADRO O=C1CCCN1[C@@H]1CCC[N@@H+](C[C@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000600707196 565745591 /nfs/dbraw/zinc/74/55/91/565745591.db2.gz NWHDSLQAVMGTOJ-KGLIPLIRSA-N 1 0 387.307 2.820 20 0 GFADRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)c1cc(Cl)cc(C(F)(F)F)c1 ZINC000649071941 565746506 /nfs/dbraw/zinc/74/65/06/565746506.db2.gz VGIQXHIWKWSJOA-SNVBAGLBSA-N 1 0 377.794 2.551 20 0 GFADRO CC(C)OC(=O)Cc1nc(CN2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cs1 ZINC000600723521 565747330 /nfs/dbraw/zinc/74/73/30/565747330.db2.gz VHRLHBGSHUZTJI-AAEUAGOBSA-N 1 0 379.448 2.596 20 0 GFADRO C[NH+](C)C1(CNS(=O)(=O)Cc2ccc(OC(F)(F)F)cc2)CCCC1 ZINC000600745459 565748336 /nfs/dbraw/zinc/74/83/36/565748336.db2.gz AHBFXDJVRYRQFB-UHFFFAOYSA-N 1 0 380.432 2.879 20 0 GFADRO COc1cc(F)c(S(=O)(=O)NCCCCC[NH+]2CCCCC2)c(F)c1 ZINC000600779831 565749099 /nfs/dbraw/zinc/74/90/99/565749099.db2.gz CBNKYRWSKXLICD-UHFFFAOYSA-N 1 0 376.469 2.908 20 0 GFADRO C[NH+]1CCC2(CC1)CN(C(=O)c1c(F)cc(Br)cc1F)CCO2 ZINC000649132357 565749494 /nfs/dbraw/zinc/74/94/94/565749494.db2.gz WOQAMTLRHWMLFU-UHFFFAOYSA-N 1 0 389.240 2.664 20 0 GFADRO C[NH2+]C1(CNC(=O)c2ccc3cc(I)ccc3n2)CCC1 ZINC000600827192 565751756 /nfs/dbraw/zinc/75/17/56/565751756.db2.gz UUVSVECRLJXWOR-UHFFFAOYSA-N 1 0 395.244 2.711 20 0 GFADRO Cc1cc(Br)ccc1CNC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000600882082 565754343 /nfs/dbraw/zinc/75/43/43/565754343.db2.gz FYSLLWZBTLMRCB-QGZVFWFLSA-N 1 0 398.345 2.914 20 0 GFADRO COc1c(Cl)cc(NC(=O)C(=O)NC[C@H]2CCCC[N@H+](C)C2)cc1Cl ZINC000627827568 565754797 /nfs/dbraw/zinc/75/47/97/565754797.db2.gz CKRRCNRDPIDZIS-LLVKDONJSA-N 1 0 388.295 2.789 20 0 GFADRO OCC[C@@H]1CCCCC[N@@H+]1C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000671247629 565759484 /nfs/dbraw/zinc/75/94/84/565759484.db2.gz DVIDWDDPTSMXNO-JKSUJKDBSA-N 1 0 390.293 2.955 20 0 GFADRO CC(C)Oc1ccc([C@H](C)[NH2+]CC2(O)CCS(=O)(=O)CC2)cc1Cl ZINC000671296768 565760320 /nfs/dbraw/zinc/76/03/20/565760320.db2.gz PMPJLFLVGNSDMB-ZDUSSCGKSA-N 1 0 375.918 2.718 20 0 GFADRO O=C(NC[C@H]1CC[N@@H+]1C1CCCC1)C(=O)Nc1ccc(Br)cc1 ZINC000627905532 565761232 /nfs/dbraw/zinc/76/12/32/565761232.db2.gz OAVAQTVOGWBGGG-OAHLLOKOSA-N 1 0 380.286 2.521 20 0 GFADRO Cc1cccc(NC(=O)C(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)c1Br ZINC000627907444 565761254 /nfs/dbraw/zinc/76/12/54/565761254.db2.gz XHHYBVARUYIJHV-CQSZACIVSA-N 1 0 394.313 2.829 20 0 GFADRO O=C1CCCN1[C@H]1CCC[N@@H+](C[C@@H](O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000601071059 565766008 /nfs/dbraw/zinc/76/60/08/565766008.db2.gz ZCROGNWOVJXNNE-UONOGXRCSA-N 1 0 387.307 2.820 20 0 GFADRO COC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+][C@@H](C)c1cc(C)c(Br)s1 ZINC000601144628 565768385 /nfs/dbraw/zinc/76/83/85/565768385.db2.gz BJJMDVDVGDTMOA-GUBZILKMSA-N 1 0 377.304 2.536 20 0 GFADRO Cc1cc(Br)c(F)c(C(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)c1 ZINC000628146483 565776364 /nfs/dbraw/zinc/77/63/64/565776364.db2.gz PATINCGKRUXXOQ-ZDUSSCGKSA-N 1 0 385.277 2.568 20 0 GFADRO O=C(Cc1csc(-c2cccs2)n1)N1CCC([NH+]2CCOCC2)CC1 ZINC000628128281 565776473 /nfs/dbraw/zinc/77/64/73/565776473.db2.gz XIJYUSLTZRKDJV-UHFFFAOYSA-N 1 0 377.535 2.737 20 0 GFADRO C[NH+](C)[C@H]1CCN(c2ccc(NC(=O)c3nscc3Br)nc2)C1 ZINC000649854755 565782898 /nfs/dbraw/zinc/78/28/98/565782898.db2.gz QQSPEHOTAPWDHV-NSHDSACASA-N 1 0 396.314 2.693 20 0 GFADRO CCOC(=O)c1cc(Cl)cc(S(=O)(=O)N(CC)C2CC[NH+](C)CC2)c1 ZINC000601427540 565782981 /nfs/dbraw/zinc/78/29/81/565782981.db2.gz CMGBBCOVUSGCCL-UHFFFAOYSA-N 1 0 388.917 2.622 20 0 GFADRO COCC[N@@H+]1CCC[C@H](NC(=O)C2(c3cc(F)cc(Br)c3)CC2)C1 ZINC000671704500 565783183 /nfs/dbraw/zinc/78/31/83/565783183.db2.gz WGDOSBFURCFSTP-INIZCTEOSA-N 1 0 399.304 2.847 20 0 GFADRO C[C@@H]1C[C@H](N2CCOCC2)C[N@@H+]1C[C@@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000671719619 565783603 /nfs/dbraw/zinc/78/36/03/565783603.db2.gz LGTOUOYTSPUVQI-QLFBSQMISA-N 1 0 389.323 2.528 20 0 GFADRO CC[NH+](CC)CCN(C(=O)c1ccc(C)nn1)c1ccc(Br)cn1 ZINC000649988868 565791387 /nfs/dbraw/zinc/79/13/87/565791387.db2.gz PQFBQIWASIMPHR-UHFFFAOYSA-N 1 0 392.301 2.931 20 0 GFADRO CC[NH+](CC)CCN(C(=O)Cn1ccc(C)n1)c1ccc(Br)cn1 ZINC000649988885 565791548 /nfs/dbraw/zinc/79/15/48/565791548.db2.gz RFQYKTBIBHMXMI-UHFFFAOYSA-N 1 0 394.317 2.724 20 0 GFADRO Cc1csc(C(=O)N2CCC[C@@H]3C[NH2+]CC[C@H]32)c1I ZINC000601553047 565791539 /nfs/dbraw/zinc/79/15/39/565791539.db2.gz NGKQCJUJFMBNGX-GHMZBOCLSA-N 1 0 390.290 2.875 20 0 GFADRO CNS(=O)(=O)C[C@H]1CCC[N@H+](Cc2cnc(-c3ccc(C)cc3)s2)C1 ZINC000628495897 565791817 /nfs/dbraw/zinc/79/18/17/565791817.db2.gz CIHUWTGLWZGHDK-HNNXBMFYSA-N 1 0 379.551 2.880 20 0 GFADRO CNS(=O)(=O)C[C@@H]1CCC[N@H+](Cc2ccc(-c3scnc3C)cc2)C1 ZINC000628495908 565791913 /nfs/dbraw/zinc/79/19/13/565791913.db2.gz CLZJQZYIMSRYRZ-MRXNPFEDSA-N 1 0 379.551 2.880 20 0 GFADRO O=C(c1ccc(F)cc1I)N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000601559566 565792163 /nfs/dbraw/zinc/79/21/63/565792163.db2.gz UVTNSYKJAVTHHY-IINYFYTJSA-N 1 0 388.224 2.644 20 0 GFADRO Cc1ccc(C(=O)N2CCC[C@H]3C[NH2+]CC[C@H]32)cc1I ZINC000601560995 565792333 /nfs/dbraw/zinc/79/23/33/565792333.db2.gz ZUUMILPAULJDLK-DZGCQCFKSA-N 1 0 384.261 2.814 20 0 GFADRO Cc1nc2ccc(Br)cn2c1C(=O)N1[C@H](C)C[N@H+](C)[C@H](C)[C@@H]1C ZINC000650154860 565800584 /nfs/dbraw/zinc/80/05/84/565800584.db2.gz RDOWPJOFHYOGIQ-RTXFEEFZSA-N 1 0 379.302 2.958 20 0 GFADRO O=S(=O)(c1ccccc1)N1CC[C@H]([NH2+][C@H]2Cc3ccc(Cl)cc3C2)C1 ZINC000672624003 565814368 /nfs/dbraw/zinc/81/43/68/565814368.db2.gz RZVFFAVVFQXSGH-ROUUACIJSA-N 1 0 376.909 2.860 20 0 GFADRO CC1(C)CN(C(=O)N[C@H]2CCSc3ccc(Cl)cc32)CC[N@@H+]1CCO ZINC000672703038 565814586 /nfs/dbraw/zinc/81/45/86/565814586.db2.gz UKCQMCMKABWWJP-HNNXBMFYSA-N 1 0 383.945 2.975 20 0 GFADRO CO[C@@H](C(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1)c1cnn(C)c1 ZINC000628969264 565817498 /nfs/dbraw/zinc/81/74/98/565817498.db2.gz QAYDGILUCLHZEW-JKSUJKDBSA-N 1 0 385.295 2.834 20 0 GFADRO CC[N@@H+]1C[C@@H](C)N(C(=O)c2cnc3ncc(Br)cc3c2)C[C@@H]1C ZINC000672918469 565821835 /nfs/dbraw/zinc/82/18/35/565821835.db2.gz YTDGVGCWGLRWQI-NWDGAFQWSA-N 1 0 377.286 2.947 20 0 GFADRO CCN1CCN(C(=O)C(=O)Nc2cc(Cl)ccc2C(F)(F)F)C[C@@H]1C ZINC000672938450 565823091 /nfs/dbraw/zinc/82/30/91/565823091.db2.gz FGNGLTFBLWMNEY-JTQLQIEISA-N 1 0 377.794 2.850 20 0 GFADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cc(F)c(Cl)c(N)c3Cl)C2)CC1 ZINC000602099731 565823720 /nfs/dbraw/zinc/82/37/20/565823720.db2.gz YJKKDGYXQKUWLK-LLVKDONJSA-N 1 0 389.302 2.567 20 0 GFADRO CCOC(=O)C[C@@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)c1cccc(Br)c1 ZINC000602131675 565824256 /nfs/dbraw/zinc/82/42/56/565824256.db2.gz TZTQEQKCTQLOCV-XJKSGUPXSA-N 1 0 397.313 2.901 20 0 GFADRO CC1(C)CN(C(=O)N[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)CC[N@@H+]1CCO ZINC000673055671 565826303 /nfs/dbraw/zinc/82/63/03/565826303.db2.gz JTAQLHLLQQDJBL-XJKSGUPXSA-N 1 0 386.323 2.947 20 0 GFADRO O=C(NCCCCc1ccc(Cl)s1)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000673064459 565826407 /nfs/dbraw/zinc/82/64/07/565826407.db2.gz GCVIHBIUGWUNDR-JKSUJKDBSA-N 1 0 385.961 2.965 20 0 GFADRO Cc1onc(-c2cccc(Cl)c2Cl)c1C(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000629169725 565827128 /nfs/dbraw/zinc/82/71/28/565827128.db2.gz WANZFVOHWFOGCA-LLVKDONJSA-N 1 0 384.263 2.753 20 0 GFADRO Cc1c2cc(Br)cc(C)c2oc1C(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000629172190 565827154 /nfs/dbraw/zinc/82/71/54/565827154.db2.gz VLVLJNVNYOUOLI-CYBMUJFWSA-N 1 0 381.270 2.609 20 0 GFADRO O=C(CCc1ccc(Br)cc1F)NCC[NH+]1CCSCC1 ZINC000602182362 565828815 /nfs/dbraw/zinc/82/88/15/565828815.db2.gz JHGGYLRPAZAXMO-UHFFFAOYSA-N 1 0 375.307 2.686 20 0 GFADRO O=C(CCSc1ccc(Br)cc1)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000673515954 565839039 /nfs/dbraw/zinc/83/90/39/565839039.db2.gz MEOZWAGWOKVBQV-CABCVRRESA-N 1 0 399.354 2.599 20 0 GFADRO C[NH+](C)[C@@H]1[C@H]2CN(S(=O)(=O)c3csc(-c4ccc(Cl)cc4)n3)C[C@H]21 ZINC000629353847 565847702 /nfs/dbraw/zinc/84/77/02/565847702.db2.gz VLONZNHCPSMHOR-NHAGDIPZSA-N 1 0 383.926 2.644 20 0 GFADRO CC(C)c1nc(S(=O)(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)c[nH]1 ZINC000673821176 565848437 /nfs/dbraw/zinc/84/84/37/565848437.db2.gz OJLNDSPPGGKSNN-CQSZACIVSA-N 1 0 382.555 2.785 20 0 GFADRO COC(=O)c1cc(C[NH2+][C@@H]2CCN(c3ccc(Br)cc3)C2)on1 ZINC000602533843 565853796 /nfs/dbraw/zinc/85/37/96/565853796.db2.gz FKYOUDRFFPVTGK-GFCCVEGCSA-N 1 0 380.242 2.592 20 0 GFADRO COc1ccc(S(=O)(=O)NC[C@]2([NH+](C)C)CCSC2)c2ccccc12 ZINC000673983980 565855228 /nfs/dbraw/zinc/85/52/28/565855228.db2.gz XRKRZRKAELBMDV-GOSISDBHSA-N 1 0 380.535 2.564 20 0 GFADRO Ic1ccc(C[NH2+]CCCOC[C@H]2CCOC2)s1 ZINC000602553187 565855510 /nfs/dbraw/zinc/85/55/10/565855510.db2.gz AWBYXZFPYFMZDO-LLVKDONJSA-N 1 0 381.279 2.886 20 0 GFADRO C[C@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH2+]C[C@H]1COCCN1 ZINC000629538601 565857582 /nfs/dbraw/zinc/85/75/82/565857582.db2.gz UDPIMYLUMMBVGL-PWSUYJOCSA-N 1 0 379.810 2.654 20 0 GFADRO Brc1cc2ncnc(NC3CC[NH+]([C@@H]4CCOC4)CC3)c2s1 ZINC000651333186 565857581 /nfs/dbraw/zinc/85/75/81/565857581.db2.gz ABXKLTPQCQZDHL-LLVKDONJSA-N 1 0 383.315 3.119 20 0 GFADRO C[NH+](C)C1(CNC(=O)[C@@H]2CCOc3ccc(Br)cc32)CCOCC1 ZINC000651343932 565858714 /nfs/dbraw/zinc/85/87/14/565858714.db2.gz KOGJKLLUBJHXQO-CQSZACIVSA-N 1 0 397.313 2.542 20 0 GFADRO C[C@H](NC(=O)CN1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1)c1ccc(Cl)cc1 ZINC000629568453 565858977 /nfs/dbraw/zinc/85/89/77/565858977.db2.gz SNRDAUFXIVHUQY-WHOFXGATSA-N 1 0 377.838 2.976 20 0 GFADRO C[C@H](C(=O)NCc1ccccc1Cl)N1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629564663 565859181 /nfs/dbraw/zinc/85/91/81/565859181.db2.gz IIVVRXNQJFUKHT-KWCYVHTRSA-N 1 0 377.838 2.804 20 0 GFADRO COc1ccc(NC(=O)CN2CCC[C@@H](C[NH3+])[C@H]2C(F)(F)F)cc1Cl ZINC000629584458 565860741 /nfs/dbraw/zinc/86/07/41/565860741.db2.gz UWMCEWMKSKQFIZ-BONVTDFDSA-N 1 0 379.810 2.889 20 0 GFADRO COCCOC[C@@H](O)C[NH2+][C@H]1CCCSc2ccc(Br)cc21 ZINC000629594138 565861761 /nfs/dbraw/zinc/86/17/61/565861761.db2.gz KQLXECMTOIPTNS-ZFWWWQNUSA-N 1 0 390.343 2.990 20 0 GFADRO O[C@@H](C[NH2+]CC/C=C\c1ccc(Br)cc1)COC1CCOCC1 ZINC000629599630 565862801 /nfs/dbraw/zinc/86/28/01/565862801.db2.gz ONMWDKUILGDWKK-MPXGXIRNSA-N 1 0 384.314 2.999 20 0 GFADRO O[C@@H](C[NH2+]C[C@H]1CCN1C1CCCC1)COc1cccc(Br)c1 ZINC000629603899 565863993 /nfs/dbraw/zinc/86/39/93/565863993.db2.gz QLGOZCABRBVYHS-SJORKVTESA-N 1 0 383.330 2.795 20 0 GFADRO COC(=O)C[C@](C)([NH2+]C[C@@H]1CCc2ncnn21)c1ccc(Br)cc1 ZINC000602825741 565869621 /nfs/dbraw/zinc/86/96/21/565869621.db2.gz DBYIZZJUSKRFKL-YOEHRIQHSA-N 1 0 393.285 2.596 20 0 GFADRO CC[C@H](C[NH+]1CCCC1)NS(=O)(=O)c1cc(Br)c(F)cc1F ZINC000674346207 565870172 /nfs/dbraw/zinc/87/01/72/565870172.db2.gz JQZWJKUHEODCCL-SNVBAGLBSA-N 1 0 397.285 2.880 20 0 GFADRO CC[C@@H](C[NH+]1CCCC1)NS(=O)(=O)c1cc(Br)ccc1OC ZINC000674346240 565870478 /nfs/dbraw/zinc/87/04/78/565870478.db2.gz KPMAWCSONFGWBX-ZDUSSCGKSA-N 1 0 391.331 2.610 20 0 GFADRO C[N@H+](CC/C=C\c1ccc(Br)cc1)CCN1CCCS1(=O)=O ZINC000674463004 565874631 /nfs/dbraw/zinc/87/46/31/565874631.db2.gz GURAAWWXEDHUTN-DJWKRKHSSA-N 1 0 387.343 2.820 20 0 GFADRO O=S(=O)(Cc1cc(Cl)sc1Cl)N1CCC[C@@H]1CN1CCOCC1 ZINC000651581202 565874813 /nfs/dbraw/zinc/87/48/13/565874813.db2.gz LAZUSADGESLEBU-GFCCVEGCSA-N 1 0 399.365 2.681 20 0 GFADRO Cc1cc(Br)sc1S(=O)(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000651576309 565875433 /nfs/dbraw/zinc/87/54/33/565875433.db2.gz ARSPVSASWKTLGV-GHMZBOCLSA-N 1 0 381.361 2.922 20 0 GFADRO C[NH2+]C1(CNC(=O)[C@@H]2CCCN2C(=O)c2ccc(Cl)c(Cl)c2)CCC1 ZINC000629998622 565879378 /nfs/dbraw/zinc/87/93/78/565879378.db2.gz FVBNVKRXOVNDJW-HNNXBMFYSA-N 1 0 384.307 2.856 20 0 GFADRO O[C@@H](C[N@@H+]1CCC[C@H]1c1ccccc1Br)CC1(O)CCOCC1 ZINC000630036645 565879539 /nfs/dbraw/zinc/87/95/39/565879539.db2.gz GRCOGXFQTYRSEE-PBHICJAKSA-N 1 0 384.314 2.879 20 0 GFADRO O[C@@H](C[N@@H+]1CCC[C@H]1c1cccc(Br)c1)CC1(O)CCOCC1 ZINC000630039309 565881301 /nfs/dbraw/zinc/88/13/01/565881301.db2.gz XFBSKIBYVWGPHE-SJORKVTESA-N 1 0 384.314 2.879 20 0 GFADRO CC[C@H](C[NH+]1CCCC1)NS(=O)(=O)c1cc(Br)sc1C ZINC000674891105 565887044 /nfs/dbraw/zinc/88/70/44/565887044.db2.gz NEHWJOWYJSIVIV-LLVKDONJSA-N 1 0 381.361 2.972 20 0 GFADRO CCCC[C@H](C(=O)OC)n1cc([C@H]([NH3+])c2ccc(Br)cc2)nn1 ZINC000603202818 565889581 /nfs/dbraw/zinc/88/95/81/565889581.db2.gz YNVMACOFQTZSCJ-HUUCEWRRSA-N 1 0 381.274 2.993 20 0 GFADRO C[C@@H](C(=O)OC(C)(C)C)n1cc([C@@H]([NH3+])c2ccc(Br)cc2)nn1 ZINC000603201158 565889604 /nfs/dbraw/zinc/88/96/04/565889604.db2.gz FZRKQHUOSRKTNV-HZMBPMFUSA-N 1 0 381.274 2.991 20 0 GFADRO CCC[C@H](C(=O)OCC)n1cc([C@@H]([NH3+])c2ccc(Br)cc2)nn1 ZINC000603202288 565890237 /nfs/dbraw/zinc/89/02/37/565890237.db2.gz SOXJDMAMMHVOSE-CABCVRRESA-N 1 0 381.274 2.993 20 0 GFADRO C[NH+](C)C[C@@H](CNS(=O)(=O)CCC[C@@H]1CCOC1)c1ccc(Cl)cc1 ZINC000651765006 565890976 /nfs/dbraw/zinc/89/09/76/565890976.db2.gz ZZVHETSUUYCRMM-NVXWUHKLSA-N 1 0 388.961 2.721 20 0 GFADRO CC(C)C[N@H+](C)CCCNC(=O)C(=O)Nc1ccc(F)cc1Br ZINC000651904987 565902803 /nfs/dbraw/zinc/90/28/03/565902803.db2.gz SWKMWKPMGPBKPI-UHFFFAOYSA-N 1 0 388.281 2.621 20 0 GFADRO O=C(CCCc1cccc(Br)c1)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000675473456 565904663 /nfs/dbraw/zinc/90/46/63/565904663.db2.gz TUXWHMDWKAOPKS-QGZVFWFLSA-N 1 0 395.341 2.953 20 0 GFADRO [NH3+]Cc1nccn1CCOc1c(Br)cccc1Br ZINC000630584102 565910385 /nfs/dbraw/zinc/91/03/85/565910385.db2.gz QIEODFHXHLFESP-UHFFFAOYSA-N 1 0 375.064 2.946 20 0 GFADRO O=C(Nc1cccc(Cl)c1Cl)N1CC[NH+]([C@H]2CCNC(=O)CC2)CC1 ZINC000652016455 565912148 /nfs/dbraw/zinc/91/21/48/565912148.db2.gz DNPMXDCCVPKVHK-GFCCVEGCSA-N 1 0 385.295 2.812 20 0 GFADRO CC(C)[C@H]([NH2+]Cc1cc2c(c(Br)c1)OCO2)C(=O)N1CCCC1 ZINC000603722797 565914473 /nfs/dbraw/zinc/91/44/73/565914473.db2.gz OGXQGNVEJBZSNF-HNNXBMFYSA-N 1 0 383.286 2.914 20 0 GFADRO C[C@@H](C(=O)NCC(=O)Nc1ccc(Br)cc1)[NH+]1CCCCCC1 ZINC000603829250 565917099 /nfs/dbraw/zinc/91/70/99/565917099.db2.gz QDTBZDOPVHKEEC-ZDUSSCGKSA-N 1 0 382.302 2.768 20 0 GFADRO C[C@@H]([NH2+][C@@H](C)COCC1CC1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000652287030 565920863 /nfs/dbraw/zinc/92/08/63/565920863.db2.gz LYWXIQSVEJOLSQ-WDEREUQCSA-N 1 0 391.331 2.562 20 0 GFADRO Cc1cc(Br)sc1S(=O)(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000652368521 565924752 /nfs/dbraw/zinc/92/47/52/565924752.db2.gz HJDHYYLSPDDICH-GARJFASQSA-N 1 0 379.345 2.567 20 0 GFADRO COc1cc(CNC(=O)N[C@H]2CC[N@@H+](C3CC3)C2)cc(Br)c1OC ZINC000604186727 565925824 /nfs/dbraw/zinc/92/58/24/565925824.db2.gz RTNVQJRQMGSNEK-LBPRGKRZSA-N 1 0 398.301 2.502 20 0 GFADRO COc1cc(Br)c(S(=O)(=O)NCCC2(C[NH3+])CC2)cc1Cl ZINC000652378941 565926646 /nfs/dbraw/zinc/92/66/46/565926646.db2.gz QIDRAHHYJXDMFB-UHFFFAOYSA-N 1 0 397.722 2.518 20 0 GFADRO C[NH+](C)Cc1cc(CNC(=O)CCn2cc(Br)cn2)ccc1F ZINC000604342370 565926691 /nfs/dbraw/zinc/92/66/91/565926691.db2.gz HCRZWARDDDKPQJ-UHFFFAOYSA-N 1 0 383.265 2.553 20 0 GFADRO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCCN2S(=O)(=O)Cc2ccc(F)c(Cl)c2)C1 ZINC000652383848 565927651 /nfs/dbraw/zinc/92/76/51/565927651.db2.gz INHSRBPWGCKMIH-KBRIMQKVSA-N 1 0 390.908 2.670 20 0 GFADRO CN(C[C@H]1CCC[N@H+](C)C1)S(=O)(=O)Cc1ccc(OC(F)(F)F)cc1 ZINC000604407885 565929904 /nfs/dbraw/zinc/92/99/04/565929904.db2.gz KSLJMBHLDTYBGZ-AWEZNQCLSA-N 1 0 380.432 2.689 20 0 GFADRO CN(C)[C@@H](C[NH2+]Cc1ccc(Cl)c(S(N)(=O)=O)c1)c1cccc(F)c1 ZINC000631030672 565933390 /nfs/dbraw/zinc/93/33/90/565933390.db2.gz WGJWGQRECCHCPD-INIZCTEOSA-N 1 0 385.892 2.519 20 0 GFADRO [NH3+]CC1(CCNC(=O)Nc2cc(Br)ccc2-n2cccn2)CC1 ZINC000652577713 565934146 /nfs/dbraw/zinc/93/41/46/565934146.db2.gz MEDVGYBEKOYKMH-UHFFFAOYSA-N 1 0 378.274 2.885 20 0 GFADRO CC(C)[C@@H](C[NH2+]Cc1ncc(Br)cc1Cl)N1CCN(C)CC1 ZINC000631038717 565934997 /nfs/dbraw/zinc/93/49/97/565934997.db2.gz IAIJWBAONBNAAC-MRXNPFEDSA-N 1 0 389.769 2.859 20 0 GFADRO O=C(NCCC1CC[NH2+]CC1)C(=O)Nc1cc(Cl)ccc1C(F)(F)F ZINC000652642934 565937160 /nfs/dbraw/zinc/93/71/60/565937160.db2.gz QGQJUWCZWQJICB-UHFFFAOYSA-N 1 0 377.794 2.803 20 0 GFADRO OC[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1ccncc1Br ZINC000631079118 565938854 /nfs/dbraw/zinc/93/88/54/565938854.db2.gz YVQSAWTYJQVGNP-MJGOQNOKSA-N 1 0 390.325 2.817 20 0 GFADRO C[C@H](C[NH2+]Cc1cn(C[C@H]2CCOC2)nn1)Oc1cccc(Br)c1 ZINC000631082239 565939596 /nfs/dbraw/zinc/93/95/96/565939596.db2.gz BSHLYGPXFUJPLL-ZIAGYGMSSA-N 1 0 395.301 2.634 20 0 GFADRO CN1CC[C@@H]([NH2+]Cc2ccc(Cl)c(S(N)(=O)=O)c2)[C@H]1c1ccccc1 ZINC000631103217 565941940 /nfs/dbraw/zinc/94/19/40/565941940.db2.gz XMOFWTPTCXBWGV-SJLPKXTDSA-N 1 0 379.913 2.522 20 0 GFADRO COc1cc(C[NH2+][C@H](CO)C[C@H](O)C(C)(C)C)c(F)cc1Br ZINC000631131189 565942517 /nfs/dbraw/zinc/94/25/17/565942517.db2.gz KPYKOQMSQLRCDD-NHYWBVRUSA-N 1 0 378.282 2.844 20 0 GFADRO NS(=O)(=O)c1cc(C[NH2+]CCc2cc(C(F)(F)F)ccn2)ccc1Cl ZINC000631143792 565944489 /nfs/dbraw/zinc/94/44/89/565944489.db2.gz VAKZVFYYUPBTKA-UHFFFAOYSA-N 1 0 393.818 2.734 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)c1nn(-c2ccc(F)cc2)cc1Br ZINC000605123756 565946994 /nfs/dbraw/zinc/94/69/94/565946994.db2.gz VVUABLMYTQHFQL-GFCCVEGCSA-N 1 0 393.260 2.740 20 0 GFADRO NC(=O)C[C@H]1CC[N@H+](CC(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000676881120 565951830 /nfs/dbraw/zinc/95/18/30/565951830.db2.gz OXCCCCHKEVNONT-MLGOLLRUSA-N 1 0 384.307 2.854 20 0 GFADRO O=C(c1cc(Cl)cc(Cl)c1)N1CCN(C(=O)[C@H]2CCC[NH2+]CC2)CC1 ZINC000653064900 565953350 /nfs/dbraw/zinc/95/33/50/565953350.db2.gz KEUSLZSJXYYTGQ-ZDUSSCGKSA-N 1 0 384.307 2.668 20 0 GFADRO C[NH+](C)CC[C@H](N)C(=O)Nc1ncc(Cc2ccc(Br)cc2)s1 ZINC000653062839 565953501 /nfs/dbraw/zinc/95/35/01/565953501.db2.gz LYIJUHWGBWEABB-AWEZNQCLSA-N 1 0 397.342 2.714 20 0 GFADRO O=C(CCc1nc2cc(Cl)ccc2s1)NCCC[NH+]1CCC(O)CC1 ZINC000605541168 565953494 /nfs/dbraw/zinc/95/34/94/565953494.db2.gz MPABPWXWCURULY-UHFFFAOYSA-N 1 0 381.929 2.845 20 0 GFADRO O=C(NC1CC[NH+](Cc2cccnc2)CC1)c1c(F)cncc1Br ZINC000631308129 565953556 /nfs/dbraw/zinc/95/35/56/565953556.db2.gz ZENIHFFOYIPINI-UHFFFAOYSA-N 1 0 393.260 2.773 20 0 GFADRO O=C(NCCOc1ncc(C(F)(F)F)cc1Cl)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653122130 565955370 /nfs/dbraw/zinc/95/53/70/565955370.db2.gz NGAJHXLMMIAWOR-QWHCGFSZSA-N 1 0 377.794 2.779 20 0 GFADRO O=C(NC[C@@H]1CCN(c2cccc(Br)c2)C1)[C@H]1CCC[NH2+]CC1 ZINC000653113119 565955546 /nfs/dbraw/zinc/95/55/46/565955546.db2.gz TWUAOJSNLBCNPB-GJZGRUSLSA-N 1 0 380.330 2.781 20 0 GFADRO O=C([C@@H]1CCOc2ccc(Br)cc21)N1CCC2(CC[NH2+]C2)CC1 ZINC000653143734 565956346 /nfs/dbraw/zinc/95/63/46/565956346.db2.gz ZKQRWWAMXVEGLJ-CQSZACIVSA-N 1 0 379.298 2.917 20 0 GFADRO O=C(c1cnc(-c2cccc(Cl)c2)s1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000653139640 565956577 /nfs/dbraw/zinc/95/65/77/565956577.db2.gz PEWYMFPMRXYLQC-OAHLLOKOSA-N 1 0 376.913 2.583 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(C(=O)Cc3cc(F)ccc3Br)C2)C1 ZINC000653183267 565957377 /nfs/dbraw/zinc/95/73/77/565957377.db2.gz BROPNHXHCPVPFM-VMGRFDJRSA-N 1 0 399.304 2.876 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(C(=O)c3ccc(F)c(Br)c3)C2)C1 ZINC000653187614 565958347 /nfs/dbraw/zinc/95/83/47/565958347.db2.gz AIEKCWCICKOGCZ-ZENOOKHLSA-N 1 0 385.277 2.947 20 0 GFADRO COc1ccc(Br)cc1C(=O)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000653186581 565958435 /nfs/dbraw/zinc/95/84/35/565958435.db2.gz MHGIECJSFGLXNW-RVSPLBMKSA-N 1 0 397.313 2.816 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(Br)c3nccn3c2)[C@H](C)C1 ZINC000631466934 565959441 /nfs/dbraw/zinc/95/94/41/565959441.db2.gz SIBLJHYENCPMRP-IUODEOHRSA-N 1 0 379.302 2.899 20 0 GFADRO C[NH2+]Cc1ccccc1CNC(=O)c1cc(Br)c2c(c1)OCCO2 ZINC000653212504 565959797 /nfs/dbraw/zinc/95/97/97/565959797.db2.gz JMYCQJCAYNTOIT-UHFFFAOYSA-N 1 0 391.265 2.870 20 0 GFADRO CCO[C@@H]1CN(C(=O)Cc2csc(-c3ccc(Cl)cc3)n2)C[C@H]1C[NH3+] ZINC000653247320 565960444 /nfs/dbraw/zinc/96/04/44/565960444.db2.gz WJWPUFVJSHLLBA-CZUORRHYSA-N 1 0 379.913 2.828 20 0 GFADRO O=C1C[C@@H]([NH2+]C2CCOCC2)C(=O)N1c1ccc(Cl)c(C(F)(F)F)c1 ZINC000653283942 565961296 /nfs/dbraw/zinc/96/12/96/565961296.db2.gz UCKCYTZYPOBROZ-CYBMUJFWSA-N 1 0 376.762 2.759 20 0 GFADRO CN(C(=O)c1cc(=O)[nH]c2ccc(Br)cc21)[C@@H]1C[NH+]2CCC1CC2 ZINC000606370317 565962856 /nfs/dbraw/zinc/96/28/56/565962856.db2.gz RKCBKJBZCFMKSU-MRXNPFEDSA-N 1 0 390.281 2.869 20 0 GFADRO O=C(CN1CCC[N@H+](C[C@@H]2CCCO2)CC1)Nc1ccccc1Br ZINC000606437436 565963446 /nfs/dbraw/zinc/96/34/46/565963446.db2.gz UCBPASROTVDEOS-HNNXBMFYSA-N 1 0 396.329 2.574 20 0 GFADRO CC[N@@H+]1CCN(Cc2csc(-c3ccc(S(C)(=O)=O)cc3)n2)C[C@@H]1C ZINC000677193571 565963775 /nfs/dbraw/zinc/96/37/75/565963775.db2.gz BOGZPHFAPURJIB-AWEZNQCLSA-N 1 0 379.551 2.740 20 0 GFADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc(Br)c2nccn2c1 ZINC000631676698 565967810 /nfs/dbraw/zinc/96/78/10/565967810.db2.gz DGQOMMVIIUTCEV-KGLIPLIRSA-N 1 0 377.286 2.796 20 0 GFADRO OCC[NH2+]C1CCN(Cc2cc(Br)ccc2OC(F)F)CC1 ZINC000631864233 565978286 /nfs/dbraw/zinc/97/82/86/565978286.db2.gz KOOCEQMKMPSFSC-UHFFFAOYSA-N 1 0 379.245 2.597 20 0 GFADRO Cc1cc(NC(=O)CN2CCC(CO)([NH2+]C(C)C)CC2)ccc1Br ZINC000653729030 565980877 /nfs/dbraw/zinc/98/08/77/565980877.db2.gz XKLGGVJSHGYADB-UHFFFAOYSA-N 1 0 398.345 2.521 20 0 GFADRO CN(C1CC[NH2+]CC1)S(=O)(=O)N[C@H](Cc1ccccc1)c1cccs1 ZINC000631921758 565983092 /nfs/dbraw/zinc/98/30/92/565983092.db2.gz VHHVWPFELBMIRJ-QGZVFWFLSA-N 1 0 379.551 2.550 20 0 GFADRO O=c1[nH]c2ccc(S(=O)(=O)N3CCCC[C@H]([NH+]4CCCC4)C3)cc2s1 ZINC000631923547 565983657 /nfs/dbraw/zinc/98/36/57/565983657.db2.gz VSVYYZIFGHOVOB-ZDUSSCGKSA-N 1 0 381.523 2.641 20 0 GFADRO O=S(=O)(c1ccc(C(F)(F)C(F)(F)F)cc1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000631939210 565984891 /nfs/dbraw/zinc/98/48/91/565984891.db2.gz VEVRGDMTNKNAOS-ZWNOBZJWSA-N 1 0 384.370 2.713 20 0 GFADRO O=S(=O)(c1cscc1Br)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000631940660 565985001 /nfs/dbraw/zinc/98/50/01/565985001.db2.gz DCQHRVMLGBXGDV-MNOVXSKESA-N 1 0 379.345 2.521 20 0 GFADRO CC[C@H]([NH2+]CC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl)[C@@H]1CCCCO1 ZINC000653877353 565986037 /nfs/dbraw/zinc/98/60/37/565986037.db2.gz NKUNMIOZPOARST-HOCLYGCPSA-N 1 0 388.917 2.619 20 0 GFADRO O=C([C@@H]1C[N@@H+]2CCN1CCC2)N1CCC[C@@H]1c1ccccc1Br ZINC000677912316 565988757 /nfs/dbraw/zinc/98/87/57/565988757.db2.gz UNYLGGDMIPUQTB-SJORKVTESA-N 1 0 378.314 2.503 20 0 GFADRO [NH3+]C[C@@H]1Cc2ccccc2N(S(=O)(=O)Cc2cccc(Br)c2)C1 ZINC000631998283 565989732 /nfs/dbraw/zinc/98/97/32/565989732.db2.gz WTANPSPPKXMASQ-AWEZNQCLSA-N 1 0 395.322 2.917 20 0 GFADRO CC(C)(Cc1ccc(Br)cc1)[NH2+]CC(=O)N1CCOC[C@H]1C1CC1 ZINC000678002951 565993693 /nfs/dbraw/zinc/99/36/93/565993693.db2.gz LNKOILQZLLKQNQ-KRWDZBQOSA-N 1 0 395.341 2.997 20 0 GFADRO O=C(CCc1ccc(Br)cc1F)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000607928123 565994038 /nfs/dbraw/zinc/99/40/38/565994038.db2.gz YFBWQBWGPMDXNI-AWEZNQCLSA-N 1 0 399.304 2.702 20 0 GFADRO C[NH+](C)CC1CCC(NC(=O)c2cc(Br)c3nccn3c2)CC1 ZINC000632046247 565994927 /nfs/dbraw/zinc/99/49/27/565994927.db2.gz DURDNRUCZGNDSE-UHFFFAOYSA-N 1 0 379.302 2.947 20 0 GFADRO COCCNC(=O)C1CC[NH+](Cc2ccc(OC(F)F)c(Cl)c2)CC1 ZINC000678132316 566001354 /nfs/dbraw/zinc/00/13/54/566001354.db2.gz QGQJGRNEVBBIJE-UHFFFAOYSA-N 1 0 376.831 2.916 20 0 GFADRO C[C@H]1C[C@@H]([NH2+]Cc2ccc(F)c(Br)c2)C(=O)N1c1cnn(C)c1 ZINC000608077118 566003167 /nfs/dbraw/zinc/00/31/67/566003167.db2.gz VAQDQRUJEWYHMH-ZUZCIYMTSA-N 1 0 381.249 2.605 20 0 GFADRO O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1cc2c(c(Br)c1)OCO2 ZINC000654308824 566005090 /nfs/dbraw/zinc/00/50/90/566005090.db2.gz RREDDFGPFJOTJN-KGLIPLIRSA-N 1 0 381.270 2.925 20 0 GFADRO CN(C)c1nc(CNCc2c(Cl)cccc2N2CC[NH+](C)CC2)cs1 ZINC000678360425 566008636 /nfs/dbraw/zinc/00/86/36/566008636.db2.gz MPARCEDAZTWFPB-UHFFFAOYSA-N 1 0 379.961 2.904 20 0 GFADRO CO[C@@H](C(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1)c1ccccc1Br ZINC000654406724 566008712 /nfs/dbraw/zinc/00/87/12/566008712.db2.gz DYKTUQDQHWNBPR-RHSMWYFYSA-N 1 0 399.329 2.610 20 0 GFADRO CO[C@H](C(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1Br ZINC000654426618 566009822 /nfs/dbraw/zinc/00/98/22/566009822.db2.gz PSWNOAIWOWEITG-VBQJREDUSA-N 1 0 399.329 2.752 20 0 GFADRO C[C@@H](Cc1cccc(Br)c1)NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC000654604170 566017420 /nfs/dbraw/zinc/01/74/20/566017420.db2.gz UEAAFXPXTXWXKZ-ZDUSSCGKSA-N 1 0 379.302 2.568 20 0 GFADRO CN(Cc1cc(Br)cn1C)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000654729555 566020876 /nfs/dbraw/zinc/02/08/76/566020876.db2.gz HBSRURXSWSPHEU-CVEARBPZSA-N 1 0 383.334 2.946 20 0 GFADRO O=C1[C@H]([NH2+]Cc2ccc(Cl)c(Br)c2)CCN1C1CCOCC1 ZINC000678956772 566025781 /nfs/dbraw/zinc/02/57/81/566025781.db2.gz BLZFFTUORUMPDT-OAHLLOKOSA-N 1 0 387.705 2.972 20 0 GFADRO O=S1(=O)CC[C@]2(C1)C[C@@H]([NH2+]Cc1c(Cl)cccc1OC(F)F)CCO2 ZINC000678969954 566027320 /nfs/dbraw/zinc/02/73/20/566027320.db2.gz TUADMCYNQLSHQV-MEDUHNTESA-N 1 0 395.855 2.767 20 0 GFADRO CC[C@@H](C)[N@H+](C)CCNC(=O)COc1ccc(I)cc1 ZINC000608915347 566027516 /nfs/dbraw/zinc/02/75/16/566027516.db2.gz APVGOZPXRGRUAI-GFCCVEGCSA-N 1 0 390.265 2.517 20 0 GFADRO C[N@@H+]1CCC[C@H](NC(=O)c2ccc(I)cc2Cl)C1 ZINC000609077058 566030059 /nfs/dbraw/zinc/03/00/59/566030059.db2.gz VUKDCQSXJJFFCM-JTQLQIEISA-N 1 0 378.641 2.769 20 0 GFADRO O=C(Nc1cc(Br)ccc1F)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000654947052 566031457 /nfs/dbraw/zinc/03/14/57/566031457.db2.gz OLNMTMOPVLAJIT-UKRRQHHQSA-N 1 0 398.276 2.660 20 0 GFADRO C[NH+](C)CCN(CC(=O)OC(C)(C)C)C(=O)Cc1ccccc1Br ZINC000609169024 566032477 /nfs/dbraw/zinc/03/24/77/566032477.db2.gz MBTBHJHVSZQGIV-UHFFFAOYSA-N 1 0 399.329 2.724 20 0 GFADRO CC(C)(CO)[NH+]1CCN(C(=O)CCCOc2ccccc2Br)CC1 ZINC000679317186 566036275 /nfs/dbraw/zinc/03/62/75/566036275.db2.gz IUHFNDJVJKRIRF-UHFFFAOYSA-N 1 0 399.329 2.523 20 0 GFADRO CC[NH+](CC)CC[C@@H](CO)NC(=O)[C@H]1CCOc2ccc(Br)cc21 ZINC000655049823 566037697 /nfs/dbraw/zinc/03/76/97/566037697.db2.gz WQWAZOBBURLOIP-GJZGRUSLSA-N 1 0 399.329 2.524 20 0 GFADRO O=C(NC[C@@]1(O)C[NH+]2CCC1CC2)c1cc2ccc(Br)cc2s1 ZINC000655074451 566038870 /nfs/dbraw/zinc/03/88/70/566038870.db2.gz XHAWUQXQASDAGV-QGZVFWFLSA-N 1 0 395.322 2.850 20 0 GFADRO Cc1cc(C(C)(C)C(=O)NC[C@@]2(O)C[NH+]3CCC2CC3)ccc1Br ZINC000655073946 566038983 /nfs/dbraw/zinc/03/89/83/566038983.db2.gz WQFXMJUKENLCDQ-LJQANCHMSA-N 1 0 395.341 2.608 20 0 GFADRO CC[N@@H+](CC(=O)Nc1ccccc1I)C[C@@H]1CCOC1 ZINC000609631769 566048090 /nfs/dbraw/zinc/04/80/90/566048090.db2.gz WACCZDCJMZRTKM-LBPRGKRZSA-N 1 0 388.249 2.588 20 0 GFADRO O=S1(=O)CC[C@]2(C1)C[C@H]([NH2+]Cc1c(Cl)ccc3cccnc31)CCO2 ZINC000679718471 566050193 /nfs/dbraw/zinc/05/01/93/566050193.db2.gz AYKYXOZLYPSVLX-RDTXWAMCSA-N 1 0 380.897 2.714 20 0 GFADRO COc1ccsc1S(=O)(=O)NC[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000632616661 566050887 /nfs/dbraw/zinc/05/08/87/566050887.db2.gz HDKLGSHLXLNPSV-HOCLYGCPSA-N 1 0 380.535 2.803 20 0 GFADRO C[C@H](Sc1cc(Cl)ccc1Cl)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000655298685 566051001 /nfs/dbraw/zinc/05/10/01/566051001.db2.gz CRZVLUNMVZSRDX-WCFLWFBJSA-N 1 0 375.321 2.751 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC000655431331 566057462 /nfs/dbraw/zinc/05/74/62/566057462.db2.gz DCVDQCQPIIICON-RDTXWAMCSA-N 1 0 394.313 2.592 20 0 GFADRO Cc1c(Br)cccc1CS(=O)(=O)NCC[NH+]1CCCCC1 ZINC000655477433 566058161 /nfs/dbraw/zinc/05/81/61/566058161.db2.gz KRDJDHLQUYVHHR-UHFFFAOYSA-N 1 0 375.332 2.663 20 0 GFADRO COc1cc[nH+]c(N2CCN(S(=O)(=O)c3ccc(Cl)c(C)c3)CC2)c1 ZINC000655501499 566061238 /nfs/dbraw/zinc/06/12/38/566061238.db2.gz DQXGGUKSYMBCRK-UHFFFAOYSA-N 1 0 381.885 2.563 20 0 GFADRO [NH3+]C[C@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1)C(F)(F)F ZINC000655508431 566061402 /nfs/dbraw/zinc/06/14/02/566061402.db2.gz FJIYIPQXUKBBPQ-RYUDHWBXSA-N 1 0 398.212 2.604 20 0 GFADRO Cc1nc(C(=O)N[C@H](C[NH3+])C(F)(F)F)nn1-c1c(Cl)cccc1Cl ZINC000655511819 566062172 /nfs/dbraw/zinc/06/21/72/566062172.db2.gz MAQOQMDFROSDLX-SECBINFHSA-N 1 0 382.173 2.502 20 0 GFADRO CC(C)(C)NC(=O)Nc1ccc(Cl)c(C(=O)N[C@@H](C[NH3+])C(F)(F)F)c1 ZINC000655513317 566062796 /nfs/dbraw/zinc/06/27/96/566062796.db2.gz UDJUXOHEYDOFQD-NSHDSACASA-N 1 0 380.798 2.879 20 0 GFADRO O=C(C[C@H]1C[NH2+]CCO1)N1CCN(c2cc(Cl)c(Cl)c(Cl)c2)CC1 ZINC000655524678 566064140 /nfs/dbraw/zinc/06/41/40/566064140.db2.gz FOTBQZGTDGRGCE-LBPRGKRZSA-N 1 0 392.714 2.674 20 0 GFADRO Cc1csc(-c2ccc(S(=O)(=O)N[C@@H]3C[N@H+](C4CC4)C[C@@H]3C)cc2)n1 ZINC000655537794 566065288 /nfs/dbraw/zinc/06/52/88/566065288.db2.gz XQGBCHGQDCWQHF-YVEFUNNKSA-N 1 0 377.535 2.880 20 0 GFADRO C[NH+](C)[C@H]1CCCN(C(=O)c2ccc3cncc(Br)c3n2)CC1 ZINC000632761982 566065800 /nfs/dbraw/zinc/06/58/00/566065800.db2.gz FEIUKWAZJVQMFC-ZDUSSCGKSA-N 1 0 377.286 2.949 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2ccc(C(=O)OC)cc2Cl)C[C@@H]1C ZINC000610135172 566068336 /nfs/dbraw/zinc/06/83/36/566068336.db2.gz MCDRERHAROBNHQ-GXTWGEPZSA-N 1 0 388.917 2.620 20 0 GFADRO O=C(c1cnn(-c2ccc(Br)cc2)c1)N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000632861517 566072227 /nfs/dbraw/zinc/07/22/27/566072227.db2.gz SFNGUFJHNICVMR-GUYCJALGSA-N 1 0 389.297 2.849 20 0 GFADRO Cc1nnc(C(=O)N(CC[NH+](C)C)Cc2ccc(Br)cc2)s1 ZINC000680497303 566073405 /nfs/dbraw/zinc/07/34/05/566073405.db2.gz DMSCNFPUTMRPSV-UHFFFAOYSA-N 1 0 383.315 2.813 20 0 GFADRO CCOc1cc(Br)c(NC(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)cc1OCC ZINC000632907664 566074233 /nfs/dbraw/zinc/07/42/33/566074233.db2.gz ZUVQKBGOOTXMSL-QWRGUYRKSA-N 1 0 384.274 2.825 20 0 GFADRO C[NH+](C)[C@H]1C[C@@H](CNS(=O)(=O)c2ccc(Br)cc2Cl)C1 ZINC000655633449 566075267 /nfs/dbraw/zinc/07/52/67/566075267.db2.gz RBVPIMACPQOGSV-JGZJWPJOSA-N 1 0 381.723 2.721 20 0 GFADRO [NH3+]CC[C@@H](NC(=O)N[C@@H]1[C@H]2Cc3cc(Br)ccc3[C@@H]12)C(F)(F)F ZINC000632952625 566076719 /nfs/dbraw/zinc/07/67/19/566076719.db2.gz DVFPZBBISLQTIE-UMSGYPCISA-N 1 0 392.219 2.666 20 0 GFADRO Ic1ccc(CN2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000610367251 566078621 /nfs/dbraw/zinc/07/86/21/566078621.db2.gz FAJVZAGCPOOASG-MRXNPFEDSA-N 1 0 386.277 2.588 20 0 GFADRO O=S(=O)(N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccccc1OC(F)(F)F ZINC000655668549 566079856 /nfs/dbraw/zinc/07/98/56/566079856.db2.gz GSIWBTQZPBVNLW-CHWSQXEVSA-N 1 0 378.416 2.880 20 0 GFADRO [NH3+]C[C@H]1CC[C@H](NC(=O)C(=O)Nc2cc(Cl)ccc2C(F)(F)F)CC1 ZINC000633036859 566080895 /nfs/dbraw/zinc/08/08/95/566080895.db2.gz NQYPUKMYOROUAN-HOMQSWHASA-N 1 0 377.794 2.931 20 0 GFADRO O=S(=O)(N[C@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccc(F)cc1Br ZINC000655669278 566081124 /nfs/dbraw/zinc/08/11/24/566081124.db2.gz OEAILTPDXLSMJH-UONOGXRCSA-N 1 0 391.306 2.883 20 0 GFADRO CS(=O)(=O)N1CCC([NH2+]Cc2oc3ccccc3c2Br)CC1 ZINC000655708729 566082412 /nfs/dbraw/zinc/08/24/12/566082412.db2.gz NCRCDPJQWIHZGS-UHFFFAOYSA-N 1 0 387.299 2.709 20 0 GFADRO Cc1ccc(-c2ncc(C[NH2+]C3CCN(S(C)(=O)=O)CC3)s2)cc1C ZINC000655708153 566082739 /nfs/dbraw/zinc/08/27/39/566082739.db2.gz FQFDSBVZUBQSKY-UHFFFAOYSA-N 1 0 379.551 2.941 20 0 GFADRO OC[C@@H](NC1CC[NH+](C[C@@H]2CCCO2)CC1)c1cccc(Br)c1 ZINC000655733698 566086135 /nfs/dbraw/zinc/08/61/35/566086135.db2.gz QAOUAHGJZIELGX-ZWKOTPCHSA-N 1 0 383.330 2.716 20 0 GFADRO Cc1nn(-c2ccccc2Br)cc1C[NH2+]CC1(S(C)(=O)=O)CC1 ZINC000655769104 566088193 /nfs/dbraw/zinc/08/81/93/566088193.db2.gz VIERKZRIGUWCGD-UHFFFAOYSA-N 1 0 398.326 2.610 20 0 GFADRO CCN1C[C@@H]([NH2+]Cc2cn(-c3ccccc3Br)nc2C)CC1=O ZINC000655778154 566088558 /nfs/dbraw/zinc/08/85/58/566088558.db2.gz DLEYNLQCJJOASQ-AWEZNQCLSA-N 1 0 377.286 2.654 20 0 GFADRO Cc1nn(-c2cccc(Br)c2)cc1C[NH2+][C@@H]1CC[C@H](C(N)=O)C1 ZINC000655792917 566090314 /nfs/dbraw/zinc/09/03/14/566090314.db2.gz SWJSGYMUUHTNSF-SWLSCSKDSA-N 1 0 377.286 2.687 20 0 GFADRO C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1ccc3cncc(Br)c3n1)C2 ZINC000633254651 566091974 /nfs/dbraw/zinc/09/19/74/566091974.db2.gz VCIOLAXLBQVENA-GOSISDBHSA-N 1 0 389.297 2.950 20 0 GFADRO C[C@H]1CN(C(=O)c2cc(Br)c3nccn3c2)CC[N@@H+](C2CC2)C1 ZINC000633258990 566092151 /nfs/dbraw/zinc/09/21/51/566092151.db2.gz OBHZSKARFLTHAN-GFCCVEGCSA-N 1 0 377.286 2.653 20 0 GFADRO [NH3+]C[C@H](NC(=O)NC1(Cc2ccccc2Br)CC1)C(F)(F)F ZINC000655926485 566097095 /nfs/dbraw/zinc/09/70/95/566097095.db2.gz LDCAASNTPWBTQK-NSHDSACASA-N 1 0 380.208 2.713 20 0 GFADRO [NH3+]C[C@H](NC(=O)N1CCc2c(F)ccc(Br)c2C1)C(F)(F)F ZINC000655925523 566097152 /nfs/dbraw/zinc/09/71/52/566097152.db2.gz CHIQEBKNISXPKX-NSHDSACASA-N 1 0 384.171 2.546 20 0 GFADRO Cc1c(Br)cccc1CS(=O)(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000655951353 566099205 /nfs/dbraw/zinc/09/92/05/566099205.db2.gz UUDVDUBJCXHFGN-AWEZNQCLSA-N 1 0 375.332 2.709 20 0 GFADRO C[C@@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000656063343 566103306 /nfs/dbraw/zinc/10/33/06/566103306.db2.gz BGOYDBGUSXVVID-SGMGOOAPSA-N 1 0 386.323 2.969 20 0 GFADRO O=S1(=O)CC[C@@H]([NH2+]C2CCN(CC(F)(F)F)CC2)c2cc(F)ccc21 ZINC000681392733 566105252 /nfs/dbraw/zinc/10/52/52/566105252.db2.gz QLQNCMXFKPYMCK-CQSZACIVSA-N 1 0 380.407 2.661 20 0 GFADRO C[NH+](C)CCn1cc(C(=O)N[C@@H](CCO)c2cc(Cl)cc(Cl)c2)cn1 ZINC000633695507 566115064 /nfs/dbraw/zinc/11/50/64/566115064.db2.gz QANXUKSTVHESTJ-INIZCTEOSA-N 1 0 385.295 2.605 20 0 GFADRO Cc1nn(-c2ccccc2Br)cc1C[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000656249019 566116293 /nfs/dbraw/zinc/11/62/93/566116293.db2.gz MVZMPHXLUHZMDM-ZDUSSCGKSA-N 1 0 377.286 2.641 20 0 GFADRO Cc1cc(Br)cc(NC(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c1 ZINC000681615816 566118960 /nfs/dbraw/zinc/11/89/60/566118960.db2.gz BUEVQQZCBMELCQ-HZPDHXFCSA-N 1 0 382.302 2.820 20 0 GFADRO O[C@@H]1C[C@H]2CN(Cc3cc(C(F)(F)F)ccc3Br)CC[N@@H+]2C1 ZINC000656273422 566121791 /nfs/dbraw/zinc/12/17/91/566121791.db2.gz DTLXVISHBXEHHF-QWHCGFSZSA-N 1 0 379.220 2.719 20 0 GFADRO COc1ccccc1-c1nc(C(=O)N2C[C@@H](SC)[C@@H]([NH+](C)C)C2)cs1 ZINC000611217609 566122145 /nfs/dbraw/zinc/12/21/45/566122145.db2.gz ZBHBESZMQRKSBZ-GOEBONIOSA-N 1 0 377.535 2.936 20 0 GFADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)c1nn(C)cc1Br ZINC000633802863 566125730 /nfs/dbraw/zinc/12/57/30/566125730.db2.gz KXIJUPDFRPPWNU-UKRRQHHQSA-N 1 0 391.313 2.681 20 0 GFADRO CCOc1cc(CN2CC[NH+]([C@H]3CCC[C@H]3O)CC2)cc(Br)c1O ZINC000656432632 566126185 /nfs/dbraw/zinc/12/61/85/566126185.db2.gz YKRGXFRHZUWYJF-JKSUJKDBSA-N 1 0 399.329 2.584 20 0 GFADRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1cnc2ncc(Br)cc2c1 ZINC000682002388 566137909 /nfs/dbraw/zinc/13/79/09/566137909.db2.gz YIRIUFZJISHZTL-NHYWBVRUSA-N 1 0 377.286 2.805 20 0 GFADRO CC1(C)CN(Cc2nnc(-c3c(Cl)cccc3Cl)o2)CC[N@@H+]1CCO ZINC000682032047 566139860 /nfs/dbraw/zinc/13/98/60/566139860.db2.gz BQRKDPYYHDWPDB-UHFFFAOYSA-N 1 0 385.295 2.932 20 0 GFADRO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N1CC[C@H]1c1ccc(Br)cc1 ZINC000611848736 566142765 /nfs/dbraw/zinc/14/27/65/566142765.db2.gz GZULCNSBFKZZSJ-CJNGLKHVSA-N 1 0 396.329 2.569 20 0 GFADRO CS(=O)(=O)N(CC(F)(F)F)C1CC[NH+]([C@H]2CCc3ccccc32)CC1 ZINC000682069629 566143524 /nfs/dbraw/zinc/14/35/24/566143524.db2.gz GZRFWITWJBAAIW-INIZCTEOSA-N 1 0 376.444 2.962 20 0 GFADRO CCC1([NH+](C)C)CCN(C(=O)CNC(=O)c2ccc(Br)cc2)CC1 ZINC000634117207 566144769 /nfs/dbraw/zinc/14/47/69/566144769.db2.gz ILOKGKBTIFMZPT-UHFFFAOYSA-N 1 0 396.329 2.512 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N[C@@H](C)C2CC[NH+](C)CC2)cc1Br ZINC000682193376 566146530 /nfs/dbraw/zinc/14/65/30/566146530.db2.gz VSMFCJLNUZJHGR-ZDUSSCGKSA-N 1 0 396.329 2.851 20 0 GFADRO C[NH+]1CCN(c2ccnc(NC(=O)c3c(F)cccc3Br)c2)CC1 ZINC000634195957 566148761 /nfs/dbraw/zinc/14/87/61/566148761.db2.gz KZJYPTUARYECBV-UHFFFAOYSA-N 1 0 393.260 2.987 20 0 GFADRO Cc1cc(Br)cc(C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)c1C ZINC000612016502 566149246 /nfs/dbraw/zinc/14/92/46/566149246.db2.gz YAKCYDVZDBSUMM-OAHLLOKOSA-N 1 0 381.314 2.860 20 0 GFADRO Cc1c(F)c(Br)ccc1C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000612015276 566149431 /nfs/dbraw/zinc/14/94/31/566149431.db2.gz SAZQJSUZQJRMLN-CYBMUJFWSA-N 1 0 385.277 2.691 20 0 GFADRO CC(C)(C[NH3+])C(=O)NC1CCN(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000634298890 566151877 /nfs/dbraw/zinc/15/18/77/566151877.db2.gz BDMXCAGSEHZOFT-UHFFFAOYSA-N 1 0 397.317 2.547 20 0 GFADRO Cc1cc(C(F)(F)F)ccc1C[NH2+][C@@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1 ZINC000682374370 566151787 /nfs/dbraw/zinc/15/17/87/566151787.db2.gz SBHPIBMZMBFGCI-CVEARBPZSA-N 1 0 377.428 2.840 20 0 GFADRO Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)c3cc(Br)c[nH]c3=O)C2)cc1 ZINC000634459488 566155486 /nfs/dbraw/zinc/15/54/86/566155486.db2.gz WMSOTDVOQOWVAR-OAHLLOKOSA-N 1 0 390.281 2.862 20 0 GFADRO O=S1(=O)CC(CC[NH2+]Cc2ccc(OC(F)F)c(Br)c2)C1 ZINC000682473262 566156045 /nfs/dbraw/zinc/15/60/45/566156045.db2.gz NCBGDQAIURMKTL-UHFFFAOYSA-N 1 0 384.242 2.575 20 0 GFADRO Cn1ncc(C2CC2)c1C[NH2+]C[C@@H](O)COc1cccc(Br)c1 ZINC000656709708 566156191 /nfs/dbraw/zinc/15/61/91/566156191.db2.gz DJCPFCWZHIZAJH-CQSZACIVSA-N 1 0 380.286 2.590 20 0 GFADRO Cn1ncc(C2CCC2)c1C[NH2+]C[C@@H](O)COc1cccc(Br)c1 ZINC000656711569 566156889 /nfs/dbraw/zinc/15/68/89/566156889.db2.gz MECARYLLIFVTAV-OAHLLOKOSA-N 1 0 394.313 2.980 20 0 GFADRO O=S1(=O)CC(CC[NH2+][C@@H](c2ccc(Br)cc2)[C@@H]2CCCO2)C1 ZINC000682498684 566158364 /nfs/dbraw/zinc/15/83/64/566158364.db2.gz OJZCEBGTYNFZGR-HOTGVXAUSA-N 1 0 388.327 2.694 20 0 GFADRO COc1cc(Br)ccc1[C@@H](C)[NH2+]C1CCN(S(C)(=O)=O)CC1 ZINC000682500861 566158951 /nfs/dbraw/zinc/15/89/51/566158951.db2.gz VSJXLAIMEBMBGX-LLVKDONJSA-N 1 0 391.331 2.532 20 0 GFADRO COc1cc(Br)ccc1[C@@H](C)[NH2+]CC[C@@H]1CCS(=O)(=O)C1 ZINC000682540418 566161934 /nfs/dbraw/zinc/16/19/34/566161934.db2.gz TZKCNGVMPSTRLL-VXGBXAGGSA-N 1 0 376.316 2.933 20 0 GFADRO CC(C)[C@@H](C[NH2+][C@H](C(N)=O)c1ccc(Br)cc1)c1ccnn1C ZINC000682613028 566166157 /nfs/dbraw/zinc/16/61/57/566166157.db2.gz GWZMMRMQFAEMNT-ZBFHGGJFSA-N 1 0 379.302 2.738 20 0 GFADRO Cc1c(Br)cncc1C(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000612581870 566166810 /nfs/dbraw/zinc/16/68/10/566166810.db2.gz WKDALXFYRUZNHY-DLBZAZTESA-N 1 0 396.329 2.650 20 0 GFADRO CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+]C[C@H](O)COc2cc(Cl)cc(Cl)c2)C1 ZINC000634706473 566170424 /nfs/dbraw/zinc/17/04/24/566170424.db2.gz PRZOFIRIJOIDQX-OFQRWUPVSA-N 1 0 396.336 2.679 20 0 GFADRO O=S(=O)(NC[C@H]1CC[N@@H+](C2CC2)C1)c1cc(Cl)cc(Br)c1 ZINC000656872877 566172136 /nfs/dbraw/zinc/17/21/36/566172136.db2.gz BWAFKLYGTOSSMO-SNVBAGLBSA-N 1 0 393.734 2.865 20 0 GFADRO CC(C)(CC[NH2+]C[C@H](O)COc1cc(Cl)cc(Cl)c1)S(C)(=O)=O ZINC000634717870 566172451 /nfs/dbraw/zinc/17/24/51/566172451.db2.gz SHOYAWDTNBSOJY-ZDUSSCGKSA-N 1 0 384.325 2.536 20 0 GFADRO Cc1nc(CS(=O)(=O)N(CC[NH+](C)C)Cc2cccc(Cl)c2)cs1 ZINC000682834417 566172630 /nfs/dbraw/zinc/17/26/30/566172630.db2.gz JAVWRTOREUXITE-UHFFFAOYSA-N 1 0 387.958 2.999 20 0 GFADRO O[C@@H](C[NH2+]C1CCN([C@H]2CCOC2)CC1)COc1cc(Cl)cc(Cl)c1 ZINC000634722657 566172939 /nfs/dbraw/zinc/17/29/39/566172939.db2.gz SFKHDTSWLAXMBF-IRXDYDNUSA-N 1 0 389.323 2.576 20 0 GFADRO Cc1ccc(C(=O)NCCCN2CCC[N@@H+](C)CC2)c(C)c1Br ZINC000682898407 566176170 /nfs/dbraw/zinc/17/61/70/566176170.db2.gz BZXWJQUVLSQNHO-UHFFFAOYSA-N 1 0 382.346 2.823 20 0 GFADRO O=C(NCc1cc2cc(Br)ccc2[nH]1)N[C@H]1CC12CC[NH2+]CC2 ZINC000612980949 566181497 /nfs/dbraw/zinc/18/14/97/566181497.db2.gz XDSAPQRAAPGQBZ-HNNXBMFYSA-N 1 0 377.286 2.872 20 0 GFADRO C[C@@H](CC(F)(F)F)CS(=O)(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000656913943 566182403 /nfs/dbraw/zinc/18/24/03/566182403.db2.gz DBUCDCFKDDDWEM-ZDUSSCGKSA-N 1 0 378.460 2.594 20 0 GFADRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)S(=O)(=O)Cc1cc(F)ccc1Br ZINC000656916518 566183524 /nfs/dbraw/zinc/18/35/24/566183524.db2.gz SSAHOZSXATYVLH-NHYWBVRUSA-N 1 0 393.322 2.690 20 0 GFADRO O=C1CC[C@@H]([NH2+][C@@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)CCN1 ZINC000634967928 566186085 /nfs/dbraw/zinc/18/60/85/566186085.db2.gz ALJZZTPVCOIBFN-VXGBXAGGSA-N 1 0 376.810 2.591 20 0 GFADRO C[C@H]([NH2+][C@H]1CCNC(=O)CC1)c1ccc(Br)cc1OCCCO ZINC000634981638 566188395 /nfs/dbraw/zinc/18/83/95/566188395.db2.gz OABKRPAYYHPLJC-GXTWGEPZSA-N 1 0 385.302 2.530 20 0 GFADRO O=C(CCN1CC[NH+](C[C@@H]2CCCO2)CC1)Nc1ccc(Br)cc1 ZINC000613334692 566193872 /nfs/dbraw/zinc/19/38/72/566193872.db2.gz JTGOXYJLTBANDL-KRWDZBQOSA-N 1 0 396.329 2.574 20 0 GFADRO COc1ccc(CCC(=O)N2CC[C@H]3CC[N@H+](C)C[C@@H]32)c(Br)c1 ZINC000613328487 566194330 /nfs/dbraw/zinc/19/43/30/566194330.db2.gz MVKNEGPRPOVTAR-PBHICJAKSA-N 1 0 381.314 2.943 20 0 GFADRO C[C@H](NC(=O)[C@@H]1CCO[C@H]1c1cncc(Br)c1)C1=CC[N@H+](C)CC1 ZINC000613374545 566196542 /nfs/dbraw/zinc/19/65/42/566196542.db2.gz GWILDFITQLXZPE-VUCTXSBTSA-N 1 0 394.313 2.688 20 0 GFADRO COCCOCC[N@H+](C)CCC(=O)N[C@@H]1CCSc2ccc(Cl)cc21 ZINC000635158551 566196572 /nfs/dbraw/zinc/19/65/72/566196572.db2.gz RIPYTIJSHADDFS-MRXNPFEDSA-N 1 0 386.945 2.978 20 0 GFADRO O[C@@H](COc1ccc(Br)cc1)CN1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000613440090 566198037 /nfs/dbraw/zinc/19/80/37/566198037.db2.gz KNIURGFVNRHWOO-IAGOWNOFSA-N 1 0 383.330 2.749 20 0 GFADRO CC[C@H]1C[N@H+](C)CCCN1S(=O)(=O)Cc1cc(F)ccc1Br ZINC000656980090 566199477 /nfs/dbraw/zinc/19/94/77/566199477.db2.gz VGSDYHJYUUCPPY-AWEZNQCLSA-N 1 0 393.322 2.834 20 0 GFADRO C[N@@H+]1CCC[C@H](CCNS(=O)(=O)Cc2cc(F)ccc2Br)C1 ZINC000657010925 566205166 /nfs/dbraw/zinc/20/51/66/566205166.db2.gz CCAMGVIDZRVSLS-GFCCVEGCSA-N 1 0 393.322 2.740 20 0 GFADRO Cc1cccc(S(=O)(=O)NCC2CC[NH+](C3CCOCC3)CC2)c1Cl ZINC000657040666 566211403 /nfs/dbraw/zinc/21/14/03/566211403.db2.gz QRDFSWDPIIDOJP-UHFFFAOYSA-N 1 0 386.945 2.818 20 0 GFADRO O=S(=O)(NCC1CC[NH+](C2CCOCC2)CC1)c1cc(F)ccc1Cl ZINC000657040467 566212072 /nfs/dbraw/zinc/21/20/72/566212072.db2.gz PVIGXQDAYSXSHM-UHFFFAOYSA-N 1 0 390.908 2.648 20 0 GFADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1Cc1cn2cc(Br)ccc2n1 ZINC000683792690 566214566 /nfs/dbraw/zinc/21/45/66/566214566.db2.gz RRDMBAWPEDTSBR-CQSZACIVSA-N 1 0 393.329 2.782 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@@H](NS(=O)(=O)c2ccc(Br)c(F)c2)C1 ZINC000657063170 566215387 /nfs/dbraw/zinc/21/53/87/566215387.db2.gz VFJUTVODVOPHSW-SNVBAGLBSA-N 1 0 379.295 2.739 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@H](NS(=O)(=O)c2ccc(F)cc2Br)C1 ZINC000657061819 566215669 /nfs/dbraw/zinc/21/56/69/566215669.db2.gz PHOCMGABMJFRFW-NSHDSACASA-N 1 0 379.295 2.739 20 0 GFADRO C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)N1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000683914245 566218300 /nfs/dbraw/zinc/21/83/00/566218300.db2.gz UKPUGTSBOFONOI-SJKOYZFVSA-N 1 0 375.296 2.676 20 0 GFADRO Nc1c(Cl)c(F)cc(C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)c1Cl ZINC000635656527 566221914 /nfs/dbraw/zinc/22/19/14/566221914.db2.gz ZYXHIWCDKAHTIZ-SNVBAGLBSA-N 1 0 376.259 2.509 20 0 GFADRO Cc1nc(CS(=O)(=O)N2CC[C@@H](C)[N@@H+](Cc3ccccc3)CC2)cs1 ZINC000684101871 566226742 /nfs/dbraw/zinc/22/67/42/566226742.db2.gz HFCKNKUBPNOOBN-OAHLLOKOSA-N 1 0 379.551 2.878 20 0 GFADRO CC[N@@H+]1CCN(C(=O)Nc2ccnn2-c2ccc(Br)cn2)C[C@H]1C ZINC000684131719 566228663 /nfs/dbraw/zinc/22/86/63/566228663.db2.gz TWGQOSPCSVHLFT-GFCCVEGCSA-N 1 0 393.289 2.588 20 0 GFADRO C[C@H](O)C[N@@H+]1CCN(C(=O)CCCc2cccc(Br)c2)[C@@H](C)C1 ZINC000684480864 566236466 /nfs/dbraw/zinc/23/64/66/566236466.db2.gz NPXGCYZHMBVRFQ-GJZGRUSLSA-N 1 0 383.330 2.685 20 0 GFADRO CN1CCN(C(=O)C[NH2+][C@H]2CC(C)(C)c3ccc(Br)cc32)CC1 ZINC000684553050 566237981 /nfs/dbraw/zinc/23/79/81/566237981.db2.gz YOJCCVQACZNSPP-INIZCTEOSA-N 1 0 380.330 2.535 20 0 GFADRO CCOc1ccc(Br)cc1S(=O)(=O)N(CC)CCC[NH+](C)C ZINC000684590953 566239539 /nfs/dbraw/zinc/23/95/39/566239539.db2.gz OJNHSXGESHPEBS-UHFFFAOYSA-N 1 0 393.347 2.810 20 0 GFADRO Cc1cccc([C@H](C)C(=O)N(CC[NH+](C)C)Cc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000737383866 598831982 /nfs/dbraw/zinc/83/19/82/598831982.db2.gz FAXYFFRYMJCONJ-KRWDZBQOSA-N 1 0 392.507 2.869 20 0 GFADRO Cc1cc(N2C[C@@H]3CCC[N@H+]3C[C@H]2C)n2c3ccccc3nc2c1-c1nn[nH]n1 ZINC000737269760 598832141 /nfs/dbraw/zinc/83/21/41/598832141.db2.gz IPRDMTZIOPVJDY-CABCVRRESA-N 1 0 388.479 2.649 20 0 GFADRO O=C(CC[N@@H+]1CCC[C@H](Oc2ccccc2)C1)Nc1ccccc1-c1nn[nH]n1 ZINC000737844270 598833552 /nfs/dbraw/zinc/83/35/52/598833552.db2.gz QZJKKFAUKFUOIM-KRWDZBQOSA-N 1 0 392.463 2.739 20 0 GFADRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(CCOc2cccc(-c3nn[nH]n3)c2)C1 ZINC000736269862 598871231 /nfs/dbraw/zinc/87/12/31/598871231.db2.gz YITZWCYYIRQVAS-ZWKOTPCHSA-N 1 0 384.528 2.832 20 0 GFADRO CS[C@H](CO)[C@@H](C)[NH2+]Cc1cccc(OCc2cccc(-c3nn[nH]n3)c2)c1 ZINC000737170964 598887237 /nfs/dbraw/zinc/88/72/37/598887237.db2.gz MCUIEZODSSRUKL-AUUYWEPGSA-N 1 0 399.520 2.648 20 0 GFADRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000736287871 598943606 /nfs/dbraw/zinc/94/36/06/598943606.db2.gz HETOZPOWRHHOBQ-INIZCTEOSA-N 1 0 376.464 2.603 20 0 GFADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNc2c3ccccc3nnc2-c2nn[nH]n2)C1 ZINC000736225751 598959480 /nfs/dbraw/zinc/95/94/80/598959480.db2.gz CZVHDDBXVYIQKD-GASCZTMLSA-N 1 0 380.500 2.980 20 0 GFADRO CCOc1ccc([C@@H](C)[NH2+][C@@H]2CCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)cc1 ZINC000736638098 598959929 /nfs/dbraw/zinc/95/99/29/598959929.db2.gz TZHILMSKCRXBHZ-AUUYWEPGSA-N 1 0 392.463 2.722 20 0 GFADRO O=C(NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000738049518 598963317 /nfs/dbraw/zinc/96/33/17/598963317.db2.gz JWWKCWQYKNQQBN-SFHVURJKSA-N 1 0 377.452 2.653 20 0 GFADRO COc1cc(-c2nn[nH]n2)ccc1OCC[N@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000737032389 598981036 /nfs/dbraw/zinc/98/10/36/598981036.db2.gz KBLIWSKTHLWVPK-UHFFFAOYSA-N 1 0 393.447 2.749 20 0 GFADRO COCC[N@H+](CCOc1ccc(-c2nn[nH]n2)cc1OC)[C@H](C)c1ccccc1 ZINC000736994491 598983914 /nfs/dbraw/zinc/98/39/14/598983914.db2.gz IRVCWUXUXQQDGC-MRXNPFEDSA-N 1 0 397.479 2.964 20 0 GFADRO CCC[N@H+](CC(=O)Nc1sccc1-c1nn[nH]n1)[C@H]1C[C@H](OCC)C1(C)C ZINC000736471882 598993048 /nfs/dbraw/zinc/99/30/48/598993048.db2.gz XPPBWSLFEQPCLB-KBPBESRZSA-N 1 0 392.529 2.782 20 0 GFADRO CC1CC[NH+](Cc2ccc(NC(=O)c3ccc(-c4nn[nH]n4)nc3)cc2)CC1 ZINC000736275937 599023362 /nfs/dbraw/zinc/02/33/62/599023362.db2.gz LLVUBDJQCZNWLY-UHFFFAOYSA-N 1 0 377.452 2.746 20 0 GFADRO Cc1cc(N(C)C[C@H]2CCC[N@H+](C)C2)n2c3ccccc3nc2c1-c1nn[nH]n1 ZINC000737271583 599058463 /nfs/dbraw/zinc/05/84/63/599058463.db2.gz WRVDLHKQQAVNQK-HNNXBMFYSA-N 1 0 390.495 2.754 20 0 GFADRO CCOCCC[N@@H+]1CC[C@H](Nc2snc(Cl)c2-c2nn[nH]n2)[C@@H](C)C1 ZINC000736614851 599063074 /nfs/dbraw/zinc/06/30/74/599063074.db2.gz IOEAJTHNMZYYLI-QWRGUYRKSA-N 1 0 385.925 2.526 20 0 GFADRO CC(C)(C[NH2+][C@@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1)c1ccccc1Cl ZINC000735670996 599097500 /nfs/dbraw/zinc/09/75/00/599097500.db2.gz ZIEPTLRCFBDWQJ-MRXNPFEDSA-N 1 0 384.871 2.614 20 0 GFADRO C[C@H]1C[N@H+](CC(=O)NCc2cccc(-c3nn[nH]n3)c2)CC[C@@H]1c1ccccc1 ZINC000736284866 599144740 /nfs/dbraw/zinc/14/47/40/599144740.db2.gz HFDKYRJYUHBPNM-JXFKEZNVSA-N 1 0 390.491 2.609 20 0 GFADRO O=C(NCc1cc(-c2nn[nH]n2)ccc1F)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000823234995 599177145 /nfs/dbraw/zinc/17/71/45/599177145.db2.gz QCMVGJLBHTXSBS-KRWDZBQOSA-N 1 0 394.454 2.534 20 0 GFADRO C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000736008821 599267568 /nfs/dbraw/zinc/26/75/68/599267568.db2.gz BKMCKQHIIPMBLX-AWEZNQCLSA-N 1 0 398.902 2.538 20 0 GFADRO Cc1cccc2c1ncc(-c1nn[nH]n1)c2NC[C@H](c1ccsc1)[NH+](C)C ZINC000737407547 599268224 /nfs/dbraw/zinc/26/82/24/599268224.db2.gz CNIMFLGQANPTSS-MRXNPFEDSA-N 1 0 379.493 2.922 20 0 GFADRO CC(C)[NH+]1CCC(N2CCN(c3c(Cl)cccc3-c3nn[nH]n3)CC2)CC1 ZINC000820126580 607331723 /nfs/dbraw/zinc/33/17/23/607331723.db2.gz AHDSSOYJUMMBHY-UHFFFAOYSA-N 1 0 389.935 2.515 20 0 GFADRO CC(=O)Nc1cccc(C[N@@H+]2CCCN(c3ccccc3-c3nn[nH]n3)CC2)c1 ZINC000735488763 598249097 /nfs/dbraw/zinc/24/90/97/598249097.db2.gz MZAYVGZXPVZAKF-UHFFFAOYSA-N 1 0 391.479 2.537 20 0 GFADRO Cc1ccc(C)c(OCC[NH+]2CCN(c3ccccc3-c3nn[nH]n3)CC2)c1 ZINC000737326686 598255160 /nfs/dbraw/zinc/25/51/60/598255160.db2.gz RMPJYFRZXKQGJD-UHFFFAOYSA-N 1 0 378.480 2.685 20 0 GFADRO C[C@@H]([NH2+]Cc1cccc(-c2nn[nH]n2)c1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000736133176 598274794 /nfs/dbraw/zinc/27/47/94/598274794.db2.gz FWGDZAMRVHPXDY-RHSMWYFYSA-N 1 0 386.500 2.992 20 0 GFADRO C[C@H](CNC(=O)Nc1cc(-c2nn[nH]n2)cn1C(C)(C)C)[N@@H+]1CCC[C@@H](C)C1 ZINC000736267905 598278037 /nfs/dbraw/zinc/27/80/37/598278037.db2.gz UWACJHYLTLTNNY-ZIAGYGMSSA-N 1 0 388.520 2.665 20 0 GFADRO CC(C)(C)n1cc(-c2nn[nH]n2)cc1NC(=O)N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000735618464 598280532 /nfs/dbraw/zinc/28/05/32/598280532.db2.gz NDRWVBNYEZJWSA-UHFFFAOYSA-N 1 0 388.520 2.761 20 0 GFADRO O=C(NCc1ccc(-c2nn[nH]n2)cc1F)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000738103018 598304378 /nfs/dbraw/zinc/30/43/78/598304378.db2.gz WVTKDVHQYAQMBF-UHFFFAOYSA-N 1 0 394.454 2.922 20 0 GFADRO CC(C)[C@@H](CNC(=S)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)[NH+]1CCCC1 ZINC000735708206 598318201 /nfs/dbraw/zinc/31/82/01/598318201.db2.gz LLBSPHOEYHJWMZ-OAHLLOKOSA-N 1 0 393.948 2.927 20 0 GFADRO C[C@@H]1C[N@H+](Cc2cccc(-c3nn[nH]n3)c2)CCN1c1nc2ccccc2o1 ZINC000736291737 598364475 /nfs/dbraw/zinc/36/44/75/598364475.db2.gz YQMSEJUBRBYADP-CQSZACIVSA-N 1 0 375.436 2.719 20 0 GFADRO CCC[N@H+](C)CC(=O)N(Cc1ccc(-c2nn[nH]n2)cc1)Cc1cccc(F)c1 ZINC000736472093 598383076 /nfs/dbraw/zinc/38/30/76/598383076.db2.gz OHKPEJBTIXIWIB-UHFFFAOYSA-N 1 0 396.470 2.876 20 0 GFADRO CC(C)(CNC(=O)N(Cc1ccc(-c2nn[nH]n2)cc1)C1CC1)[NH+]1CCCCC1 ZINC000735670300 598477919 /nfs/dbraw/zinc/47/79/19/598477919.db2.gz MQGLDGIJHHRBIU-UHFFFAOYSA-N 1 0 397.527 2.805 20 0 GFADRO C[C@@H](CNC(=O)N(Cc1ccc(-c2nn[nH]n2)cc1)C1CC1)[N@@H+]1CCCC[C@@H]1C ZINC000736269904 598478318 /nfs/dbraw/zinc/47/83/18/598478318.db2.gz ZDLPTHMUUHWMOV-HOTGVXAUSA-N 1 0 397.527 2.804 20 0 GFADRO CCOc1ccc(-c2nn[nH]n2)cc1NC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000736637064 598483799 /nfs/dbraw/zinc/48/37/99/598483799.db2.gz OAQSBUZHHLDSQU-MRXNPFEDSA-N 1 0 399.499 2.748 20 0 GFADRO c1nn2cc(C[NH2+]CC3CCC(c4ccccc4)CC3)cnc2c1-c1nn[nH]n1 ZINC000738425878 598512831 /nfs/dbraw/zinc/51/28/31/598512831.db2.gz BTUQDPVZGAKNOT-UHFFFAOYSA-N 1 0 388.479 2.973 20 0 GFADRO CCC(CC)[C@@H]([NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1cccs1 ZINC000736337288 598527434 /nfs/dbraw/zinc/52/74/34/598527434.db2.gz JJFOKNAHTFMSCU-MLGOLLRUSA-N 1 0 386.529 2.934 20 0 GFADRO CC(C)C[C@@H](CO)[NH2+]Cc1cccc(OCc2ccccc2-c2nn[nH]n2)c1 ZINC000735769958 598561347 /nfs/dbraw/zinc/56/13/47/598561347.db2.gz JPJRBEIRWHNBDQ-SFHVURJKSA-N 1 0 381.480 2.942 20 0 GFADRO C[C@H](c1ccncc1)[NH+]1CCC(C(=O)Nc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000736202713 598621249 /nfs/dbraw/zinc/62/12/49/598621249.db2.gz JJQDJAXXHIBJFC-CQSZACIVSA-N 1 0 377.452 2.673 20 0 GFADRO CC[NH+](CC)CCC[C@H](C)NC(=O)CSc1ccc(-c2nn[nH]n2)cc1 ZINC000736530616 598666359 /nfs/dbraw/zinc/66/63/59/598666359.db2.gz KYYTYQFSKNGXPR-AWEZNQCLSA-N 1 0 376.530 2.586 20 0 GFADRO O=C(CCCCOc1cccc(-c2nn[nH]n2)c1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000737832218 598690702 /nfs/dbraw/zinc/69/07/02/598690702.db2.gz GMNNPFSDBNFKGX-SFHVURJKSA-N 1 0 398.511 2.503 20 0 GFADRO c1cc(C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)cc(COC2CCOCC2)c1 ZINC000738411152 598714825 /nfs/dbraw/zinc/71/48/25/598714825.db2.gz RFEZXYHYNUJESB-UHFFFAOYSA-N 1 0 379.464 2.852 20 0 GFADRO C[NH+](C)C1CCN(c2c(-c3nn[nH]n3)cnc3c(F)ccc(Cl)c32)CC1 ZINC000736756740 598722725 /nfs/dbraw/zinc/72/27/25/598722725.db2.gz KUWFJSWXETZSBS-UHFFFAOYSA-N 1 0 375.839 2.738 20 0 GFADRO c1c2c(nc(NCC3([NH+]4CCSCC4)CCCCC3)c1-c1nn[nH]n1)CCC2 ZINC000738407595 598756683 /nfs/dbraw/zinc/75/66/83/598756683.db2.gz YWMMKZCBPBMDGV-UHFFFAOYSA-N 1 0 399.568 2.914 20 0 GFADRO NC(=O)C[N@H+](Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1)C1CCCC1 ZINC000737748943 598759076 /nfs/dbraw/zinc/75/90/76/598759076.db2.gz TYNYARRDUBECOG-UHFFFAOYSA-N 1 0 376.464 2.764 20 0 GFADRO Fc1cccc(OCC[NH+]2CCC(Oc3ccc(-c4nn[nH]n4)cc3)CC2)c1 ZINC000737663717 598765381 /nfs/dbraw/zinc/76/53/81/598765381.db2.gz JTTXAMAZHBMEBL-UHFFFAOYSA-N 1 0 383.427 2.928 20 0 GFADRO C[NH+](C)CCOc1ccc(CCNc2ncc(-c3nn[nH]n3)cc2Cl)cc1 ZINC000736769884 598797360 /nfs/dbraw/zinc/79/73/60/598797360.db2.gz VWXHNLQIITYJJF-UHFFFAOYSA-N 1 0 387.875 2.510 20 0 GFADRO C[C@@H](c1ccc(-c2nn[nH]n2)cc1)[NH+]1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 ZINC000736267964 599310220 /nfs/dbraw/zinc/31/02/20/599310220.db2.gz VHSFDYBZMWRDOZ-CVEARBPZSA-N 1 0 382.512 2.898 20 0 GFADRO Cc1ccc(F)c(N2CCC[C@@H]([N@H+](C)Cc3cccc(-c4nn[nH]n4)c3)C2=O)c1 ZINC000737344285 599310339 /nfs/dbraw/zinc/31/03/39/599310339.db2.gz CWYIXWJQBKGLKV-GOSISDBHSA-N 1 0 394.454 2.942 20 0 GFADRO CC(C)[C@H](CO)[N@H+](CCOc1cccc(-c2nn[nH]n2)c1)Cc1ccccc1 ZINC000735707868 599353783 /nfs/dbraw/zinc/35/37/83/599353783.db2.gz GFALPZNCYMCQPS-FQEVSTJZSA-N 1 0 381.480 2.765 20 0 GFADRO CC(C)[C@@H](CO)[N@H+](CCOc1cccc(-c2nn[nH]n2)c1)Cc1ccccc1 ZINC000735707869 599354169 /nfs/dbraw/zinc/35/41/69/599354169.db2.gz GFALPZNCYMCQPS-HXUWFJFHSA-N 1 0 381.480 2.765 20 0 GFADRO CC(=O)Nc1cccc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2cccc(-c3nn[nH]n3)c2)c1 ZINC000819827609 599386060 /nfs/dbraw/zinc/38/60/60/599386060.db2.gz SVPNWTSMAIOEKD-STQMWFEESA-N 1 0 393.451 2.503 20 0 GFADRO C[C@@H]([NH2+][C@@H](C)C(=O)N[C@@H](C)c1ccc(F)cc1)c1cccc(-c2nn[nH]n2)c1 ZINC000820412722 599388326 /nfs/dbraw/zinc/38/83/26/599388326.db2.gz MPSSZOIEMRGLJI-MJBXVCDLSA-N 1 0 382.443 2.922 20 0 GFADRO C[C@@H]([NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1)C(=O)N1CCCc2ccccc21 ZINC000820410758 599391051 /nfs/dbraw/zinc/39/10/51/599391051.db2.gz GMPSMCDCXWCEKX-LSDHHAIUSA-N 1 0 376.464 2.885 20 0 GFADRO Cc1cc(NC(=O)c2ccc(-c3nn[nH]n3)cc2)ccc1OCC[NH+]1CCCC1 ZINC000737274470 599391129 /nfs/dbraw/zinc/39/11/29/599391129.db2.gz LBVWZNJAJLNACY-UHFFFAOYSA-N 1 0 392.463 2.902 20 0 GFADRO COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[NH2+][C@H](C)c2cccc(-c3nn[nH]n3)c2)c1C ZINC000821667203 599391969 /nfs/dbraw/zinc/39/19/69/599391969.db2.gz ZMABXRQLBJKULK-YPMHNXCESA-N 1 0 396.451 2.520 20 0 GFADRO COc1ccc(C[NH2+]Cc2ccc(OC(F)F)c(OC)c2)cc1-c1nn[nH]n1 ZINC000821717592 599396012 /nfs/dbraw/zinc/39/60/12/599396012.db2.gz REOHXFBHEUUSAC-UHFFFAOYSA-N 1 0 391.378 2.775 20 0 GFADRO CC[NH+]1CCN(c2ccc(CNc3cc(Cl)ccc3-c3nn[nH]n3)cn2)CC1 ZINC000736568771 599412032 /nfs/dbraw/zinc/41/20/32/599412032.db2.gz LZAZEINNIZQNBT-UHFFFAOYSA-N 1 0 398.902 2.669 20 0 GFADRO C[C@H](NC(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1)c1cccc(-c2nn[nH]n2)c1 ZINC000820709300 599417423 /nfs/dbraw/zinc/41/74/23/599417423.db2.gz GYBJJLHCRWXLBV-CVEARBPZSA-N 1 0 385.516 2.739 20 0 GFADRO COC(=O)CC[C@H]([NH2+]Cc1ccc(OC)c(-c2nn[nH]n2)c1)c1ccccc1 ZINC000821660432 599430758 /nfs/dbraw/zinc/43/07/58/599430758.db2.gz QRHDKMMBFJKLJF-KRWDZBQOSA-N 1 0 381.436 2.659 20 0 GFADRO COc1cccc(-c2n[nH]cc2C[NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)c1 ZINC000821854504 599457112 /nfs/dbraw/zinc/45/71/12/599457112.db2.gz LCXYLXGGLCPYLG-UHFFFAOYSA-N 1 0 379.399 2.694 20 0 GFADRO CO[C@H](C[NH2+]Cc1cnc2ccc(-c3nn[nH]n3)cn12)c1cccc(Cl)c1 ZINC000821677486 599464068 /nfs/dbraw/zinc/46/40/68/599464068.db2.gz YBOCGYNEUUZUKJ-MRXNPFEDSA-N 1 0 383.843 2.645 20 0 GFADRO COc1ccc(C[NH2+][C@@H](Cc2nccn2C)c2ccccc2)cc1-c1nn[nH]n1 ZINC000821805622 599464187 /nfs/dbraw/zinc/46/41/87/599464187.db2.gz VNYIXOFCBOMFRK-SFHVURJKSA-N 1 0 389.463 2.682 20 0 GFADRO C[C@@H](C(=O)Nc1ccccc1-c1nn[nH]n1)[N@@H+]1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000735564444 599477207 /nfs/dbraw/zinc/47/72/07/599477207.db2.gz WTBKWRKNWWBEPQ-HOCLYGCPSA-N 1 0 394.454 2.897 20 0 GFADRO C[C@H](NC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)c1cccc(-c2nn[nH]n2)c1 ZINC000820356600 599483362 /nfs/dbraw/zinc/48/33/62/599483362.db2.gz AFMGHVZDAMHXEE-KSSFIOAISA-N 1 0 379.468 2.530 20 0 GFADRO C[C@H](NC(=O)c1cccc(C[NH+]2CCCC2)c1)c1cccc(-c2nn[nH]n2)c1 ZINC000820397756 599506846 /nfs/dbraw/zinc/50/68/46/599506846.db2.gz SMGXYTCBRKGSRU-HNNXBMFYSA-N 1 0 376.464 2.954 20 0 GFADRO C[C@H](C(=O)N(CC[NH+](C)C)Cc1cccc(-c2nn[nH]n2)c1)c1ccsc1 ZINC000735514122 599546122 /nfs/dbraw/zinc/54/61/22/599546122.db2.gz QCBZRBQQJIRORK-AWEZNQCLSA-N 1 0 384.509 2.622 20 0 GFADRO C[N@H+](CCCc1ccccc1)Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)o1 ZINC000821600364 599562380 /nfs/dbraw/zinc/56/23/80/599562380.db2.gz JKXHJYZQYGEVCO-UHFFFAOYSA-N 1 0 375.436 2.981 20 0 GFADRO COCC[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)C[C@H](O)c1cccc(Cl)c1 ZINC000821690426 599570311 /nfs/dbraw/zinc/57/03/11/599570311.db2.gz LFIRMXMOIZMEIB-SFHVURJKSA-N 1 0 387.871 2.702 20 0 GFADRO Cc1ccc(C(C)(C)C[N@H+](C)CC(=O)NCc2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000822227731 599583786 /nfs/dbraw/zinc/58/37/86/599583786.db2.gz UBPJVIBMFKAMEK-UHFFFAOYSA-N 1 0 392.507 2.701 20 0 GFADRO Cc1ccccc1[C@H]1C[C@H](C)[N@@H+](CC(=O)NCc2cccc(-c3nn[nH]n3)c2)C1 ZINC000737424306 599584978 /nfs/dbraw/zinc/58/49/78/599584978.db2.gz XBZCAAXGIJLDSB-LPHOPBHVSA-N 1 0 390.491 2.669 20 0 GFADRO COc1ccccc1[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2cccc(-c3nn[nH]n3)c2)C1 ZINC000737145033 599592098 /nfs/dbraw/zinc/59/20/98/599592098.db2.gz APKMRCWDXNZTIJ-HOCLYGCPSA-N 1 0 392.463 2.692 20 0 GFADRO O[C@@H](C[C@H]1CCC[N@@H+]1CCOc1ccc(-c2nn[nH]n2)cc1)c1ccccc1 ZINC000823672655 599593623 /nfs/dbraw/zinc/59/36/23/599593623.db2.gz FTMWTIPLJRIIMH-QUCCMNQESA-N 1 0 379.464 2.834 20 0 GFADRO O=c1[nH]c2ccccc2n1C1CC[NH+](Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000823656423 599646864 /nfs/dbraw/zinc/64/68/64/599646864.db2.gz DEXZBNFOVPABRN-UHFFFAOYSA-N 1 0 375.436 2.759 20 0 GFADRO CC[C@H](C)C[C@H](C)NC(=O)N(CC[NH+](C)C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000820869212 599678619 /nfs/dbraw/zinc/67/86/19/599678619.db2.gz DZWIMSHVTNODCV-HOTGVXAUSA-N 1 0 387.532 2.765 20 0 GFADRO C[C@@H](NC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1)c1cccc(-c2nn[nH]n2)c1 ZINC000820353328 599681032 /nfs/dbraw/zinc/68/10/32/599681032.db2.gz YGNKILLBGMWYRC-CRAIPNDOSA-N 1 0 383.500 2.588 20 0 GFADRO CC(C)Oc1ccc(NC(=O)N[C@@H](C)C[NH+]2CCCCC2)cc1-c1nn[nH]n1 ZINC000820259655 607433161 /nfs/dbraw/zinc/43/31/61/607433161.db2.gz ATUOGKCVIMXNJV-AWEZNQCLSA-N 1 0 387.488 2.650 20 0 GFADRO CCS[C@@H]1CC[C@H]([N@H+](C)CC(=O)Nc2oc(C)c(C)c2-c2nn[nH]n2)C1 ZINC000821447714 607453871 /nfs/dbraw/zinc/45/38/71/607453871.db2.gz KEPWVUYJVVBJBI-QWHCGFSZSA-N 1 0 378.502 2.621 20 0 GFADRO CS[C@@H]1CCCC[N@@H+]([C@@H](C)C(=O)Nc2oc(C)c(C)c2-c2nn[nH]n2)C1 ZINC000826227957 607475448 /nfs/dbraw/zinc/47/54/48/607475448.db2.gz ZZUKNAZRYMPMHT-WCQYABFASA-N 1 0 378.502 2.621 20 0 GFADRO O[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)c1ccc(OC(F)(F)F)cc1 ZINC000823680877 607478420 /nfs/dbraw/zinc/47/84/20/607478420.db2.gz BBKJXWJHWIHZNR-HNNXBMFYSA-N 1 0 397.332 2.728 20 0 GFADRO CC[N@H+](Cc1ccc(OC)c(-c2nn[nH]n2)c1)Cc1ccc(OC)cc1OC ZINC000825435475 607490994 /nfs/dbraw/zinc/49/09/94/607490994.db2.gz ZHVJTQKQQNDXEZ-UHFFFAOYSA-N 1 0 383.452 2.915 20 0 GFADRO COc1ccc(C[N@@H+]2CCC[C@H](c3noc(C(C)C)n3)C2)cc1-c1nn[nH]n1 ZINC000826194594 607493752 /nfs/dbraw/zinc/49/37/52/607493752.db2.gz QHZJIPGUETUWAW-AWEZNQCLSA-N 1 0 383.456 2.761 20 0 GFADRO COc1ccc(-c2nn[nH]n2)cc1C[N@@H+]1CCC[C@H](c2noc(C(C)C)n2)C1 ZINC000826183325 607524541 /nfs/dbraw/zinc/52/45/41/607524541.db2.gz MFEHUNNYRUZFJS-AWEZNQCLSA-N 1 0 383.456 2.761 20 0 GFADRO COc1sc(C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)cc1Br ZINC000826222175 607564995 /nfs/dbraw/zinc/56/49/95/607564995.db2.gz LZTASZNKWQCMGQ-UHFFFAOYSA-N 1 0 380.271 2.989 20 0 GFADRO O=C([O-])N1CCC(CC[NH2+]CC2CC[NH+](C[C@H](O)c3ccccc3)CC2)CC1 ZINC000740498415 602694650 /nfs/dbraw/zinc/69/46/50/602694650.db2.gz BHBLIPDSHGQJQU-NRFANRHFSA-N 1 0 389.540 2.802 20 0 GFADRO CCC[NH+]1CCN(c2ccccc2C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C(=O)[O-])CC1 ZINC000826920899 603557804 /nfs/dbraw/zinc/55/78/04/603557804.db2.gz KOAKTCLDKBUZFZ-IHWFROFDSA-N 1 0 386.540 2.982 20 0 GFADRO CCc1ccc([C@@H](CNC(=O)c2ccc(-c3nn[nH]n3)cc2C)[NH+](C)C)cc1 ZINC000825704263 607651610 /nfs/dbraw/zinc/65/16/10/607651610.db2.gz FLOBJLKKSJZBHH-LJQANCHMSA-N 1 0 378.480 2.770 20 0 GFADRO COc1cc(OC)cc([C@H](C(=O)[O-])[N@@H+]2CC[C@H](CNc3cccc(C)[nH+]3)C2)c1 ZINC000832040198 604464667 /nfs/dbraw/zinc/46/46/67/604464667.db2.gz ACSPSXPMTKNALW-FOIQADDNSA-N 1 0 385.464 2.967 20 0 GFADRO C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC000824876698 607699454 /nfs/dbraw/zinc/69/94/54/607699454.db2.gz TYFWKWRLNFINPI-GJZGRUSLSA-N 1 0 393.495 2.603 20 0 GFADRO Cc1cc(-c2nn[nH]n2)ccc1C(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000826248144 607700806 /nfs/dbraw/zinc/70/08/06/607700806.db2.gz YGPDCSNFDUQOIO-KRWDZBQOSA-N 1 0 384.871 2.861 20 0 GFADRO Cc1cc(-c2nn[nH]n2)ccc1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000826248149 607702625 /nfs/dbraw/zinc/70/26/25/607702625.db2.gz YIEOSVGCZDWARE-QFBILLFUSA-N 1 0 390.491 2.958 20 0 GFADRO O=C(NCc1ccc(C[NH+]2CCCCCC2)cc1)c1ccc(-c2nn[nH]n2)[nH]1 ZINC000826441780 607712332 /nfs/dbraw/zinc/71/23/32/607712332.db2.gz USXNVSYWOUWEDL-UHFFFAOYSA-N 1 0 379.468 2.501 20 0 GFADRO O=C(c1ccc(-c2nn[nH]n2)[nH]1)N(CC[NH+]1CCCC1)Cc1ccc(Cl)cc1 ZINC000826471183 607730451 /nfs/dbraw/zinc/73/04/51/607730451.db2.gz PKVGTSFLEOYWFJ-UHFFFAOYSA-N 1 0 399.886 2.586 20 0 GFADRO CC1=C(C(=O)[O-])C[C@H](C[N@@H+](C)CC2CC[NH+](C[C@H](O)c3ccccc3)CC2)O1 ZINC000833577041 605115028 /nfs/dbraw/zinc/11/50/28/605115028.db2.gz ODNMRLARTJBRLC-CTNGQTDRSA-N 1 0 388.508 2.511 20 0 GFADRO O=C([O-])CCC[NH+]1CCC([NH2+]C[C@H](O)c2ccc(Cl)cc2Cl)CC1 ZINC000833774137 605223904 /nfs/dbraw/zinc/22/39/04/605223904.db2.gz YEIXWGVXBMOLRY-INIZCTEOSA-N 1 0 375.296 2.946 20 0 GFADRO CCC(C)(C)c1ccc(C[NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)cc1 ZINC000825043156 607751908 /nfs/dbraw/zinc/75/19/08/607751908.db2.gz FIBDXXJUQKNPNP-OAHLLOKOSA-N 1 0 380.500 2.582 20 0 GFADRO COc1ccc([C@H](CNc2ccc(-c3nn[nH]n3)nc2)[NH+]2CCCCC2)cc1 ZINC000821777465 606024606 /nfs/dbraw/zinc/02/46/06/606024606.db2.gz FXYJDLGXCOQQGO-IBGZPJMESA-N 1 0 379.468 2.909 20 0 GFADRO CN(C(=O)c1ccc(-c2nn[nH]n2)cc1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000821573235 606033034 /nfs/dbraw/zinc/03/30/34/606033034.db2.gz GZDYVHPATKDIEF-LJQANCHMSA-N 1 0 376.464 2.603 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)Nc1ccc(-c2nn[nH]n2)c(C(F)(F)F)c1 ZINC000821254186 606119936 /nfs/dbraw/zinc/11/99/36/606119936.db2.gz KAZLEHXAXLFKSV-LBPRGKRZSA-N 1 0 397.405 2.834 20 0 GFADRO C[C@@H](Oc1ccc(-c2nn[nH]n2)cc1)C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000820529628 606124285 /nfs/dbraw/zinc/12/42/85/606124285.db2.gz QRTRNDYTRGPVBE-OAHLLOKOSA-N 1 0 398.511 2.547 20 0 GFADRO Cc1ccc(CNC(=O)C2CC[NH+](Cc3cccc(-c4nn[nH]n4)c3)CC2)cc1 ZINC000822237069 606160384 /nfs/dbraw/zinc/16/03/84/606160384.db2.gz CWXHBIQIVOQYJR-UHFFFAOYSA-N 1 0 390.491 2.704 20 0 GFADRO COc1ccc(C[NH2+]CCc2nc(-c3ccncc3)cs2)cc1-c1nn[nH]n1 ZINC000821813685 606172194 /nfs/dbraw/zinc/17/21/94/606172194.db2.gz KKUIUHBHFPOCPA-UHFFFAOYSA-N 1 0 393.476 2.726 20 0 GFADRO C[C@@H]1C[N@@H+](CCCNc2ccc(C(F)(F)F)cc2-c2nn[nH]n2)C[C@H](C)O1 ZINC000820759785 606173923 /nfs/dbraw/zinc/17/39/23/606173923.db2.gz NRDMLKPJFZMXNA-TXEJJXNPSA-N 1 0 384.406 2.797 20 0 GFADRO C[C@@H](Oc1ccccc1-c1nn[nH]n1)C(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000820542191 606189113 /nfs/dbraw/zinc/18/91/13/606189113.db2.gz MAGSARNPVVYJKU-KLAILNCOSA-N 1 0 398.511 2.547 20 0 GFADRO Clc1ccc(-c2noc(CC[NH2+]Cc3cc(-c4nn[nH]n4)cs3)n2)cc1 ZINC000822574639 606218872 /nfs/dbraw/zinc/21/88/72/606218872.db2.gz WZFIEGWKPJNOCW-UHFFFAOYSA-N 1 0 387.856 2.964 20 0 GFADRO CC(C)c1ccc(CC[NH2+]CCS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000820192579 606307745 /nfs/dbraw/zinc/30/77/45/606307745.db2.gz UXINQQJGJIXMSW-UHFFFAOYSA-N 1 0 399.520 2.596 20 0 GFADRO COC(=O)[C@H](c1cccc(-c2nn[nH]n2)c1)[N@@H+]1CC[C@@H](c2ccccc2C)C1 ZINC000821651651 606319135 /nfs/dbraw/zinc/31/91/35/606319135.db2.gz CZTGTNRITNNAMG-MJGOQNOKSA-N 1 0 377.448 2.879 20 0 GFADRO CCCC[N@H+](C)CC1CCN(C(=O)Nc2ccc(F)cc2-c2nn[nH]n2)CC1 ZINC000821061628 606355753 /nfs/dbraw/zinc/35/57/53/606355753.db2.gz RKIBJGSTDDSKPR-UHFFFAOYSA-N 1 0 389.479 2.982 20 0 GFADRO C[N@H+](CCNc1c(-c2nn[nH]n2)cnc2ccccc21)Cc1ccc(F)cc1 ZINC000821602554 606402951 /nfs/dbraw/zinc/40/29/51/606402951.db2.gz ICYKCJGSDYCHIT-UHFFFAOYSA-N 1 0 377.427 2.520 20 0 GFADRO COC(=O)c1cc2c(o1)c(OC)ccc2C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC000821669085 606409159 /nfs/dbraw/zinc/40/91/59/606409159.db2.gz XJXQQFQFLYBWME-UHFFFAOYSA-N 1 0 393.403 2.698 20 0 GFADRO Cc1c[nH+]ccc1N1CCC(C(=O)Nc2ccc(F)c(-c3nn[nH]n3)c2)CC1 ZINC000822399229 606415444 /nfs/dbraw/zinc/41/54/44/606415444.db2.gz CQHIHDZEVPYFSW-UHFFFAOYSA-N 1 0 381.415 2.564 20 0 GFADRO c1cnc(Nc2cccc(N3CC[NH+](CC4CC4)CC3)c2)c(-c2nn[nH]n2)c1 ZINC000823758002 606431454 /nfs/dbraw/zinc/43/14/54/606431454.db2.gz ZQGDIJZKWJGEPF-UHFFFAOYSA-N 1 0 376.468 2.537 20 0 GFADRO O[C@H](COc1ccc(-c2nn[nH]n2)cc1)C[NH+]1CCC(c2cccc(F)c2)CC1 ZINC000823690831 606456155 /nfs/dbraw/zinc/45/61/55/606456155.db2.gz VWCQYZCBBRSJIL-IBGZPJMESA-N 1 0 397.454 2.625 20 0 GFADRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000820759346 606483875 /nfs/dbraw/zinc/48/38/75/606483875.db2.gz JPCJTJFMUMJXJT-BEFAXECRSA-N 1 0 391.479 2.899 20 0 GFADRO FC(F)Oc1cc(-c2nn[nH]n2)ccc1CN1CCC(C[NH+]2CCCC2)CC1 ZINC000822733171 606489538 /nfs/dbraw/zinc/48/95/38/606489538.db2.gz RGNACBFEQOZKKM-UHFFFAOYSA-N 1 0 392.454 2.776 20 0 GFADRO O=C(Cc1cccc(-c2nn[nH]n2)c1)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000823092385 606492286 /nfs/dbraw/zinc/49/22/86/606492286.db2.gz DXBAEMRXWHWWBF-UHFFFAOYSA-N 1 0 382.512 2.714 20 0 GFADRO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@H+]2CCC[C@H]2C)c1-c1nn[nH]n1 ZINC000822015130 606504565 /nfs/dbraw/zinc/50/45/65/606504565.db2.gz DKYIHYWLQKYSGM-CYBMUJFWSA-N 1 0 379.468 2.697 20 0 GFADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1ccc(-c2nn[nH]n2)cc1OC(F)F ZINC000821255366 606523920 /nfs/dbraw/zinc/52/39/20/606523920.db2.gz YZOSAJUSNQKWTF-CABCVRRESA-N 1 0 378.427 2.527 20 0 GFADRO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)c2cc(-c3nn[nH]n3)cs2)CC1 ZINC000821614714 606539841 /nfs/dbraw/zinc/53/98/41/606539841.db2.gz RQQMUOAWNDKREK-UHFFFAOYSA-N 1 0 396.520 2.912 20 0 GFADRO C[C@H]1CC[N@H+](CCOc2ccc(NC(=O)c3ccc(-c4nn[nH]n4)s3)cc2)C1 ZINC000820723259 606580880 /nfs/dbraw/zinc/58/08/80/606580880.db2.gz YPDQPYVRLRNCAE-ZDUSSCGKSA-N 1 0 398.492 2.901 20 0 GFADRO C[N@H+](CCCOc1ccc(-c2nn[nH]n2)cc1)Cc1ccc([S@@](C)=O)cc1 ZINC000821600677 606616587 /nfs/dbraw/zinc/61/65/87/606616587.db2.gz YDMFKRRGUOVGNZ-HHHXNRCGSA-N 1 0 385.493 2.505 20 0 GFADRO Cc1nc2ccccn2c1C[NH2+]CCSCc1ccccc1-c1nn[nH]n1 ZINC000822462350 606639469 /nfs/dbraw/zinc/63/94/69/606639469.db2.gz HHPIEXJZDYYMOA-UHFFFAOYSA-N 1 0 379.493 2.846 20 0 GFADRO CCOc1ccc(-c2nn[nH]n2)cc1NC(=O)N(C)[C@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000821407284 606642020 /nfs/dbraw/zinc/64/20/20/606642020.db2.gz QSEZGXOKOQAFLF-HIFRSBDPSA-N 1 0 387.488 2.602 20 0 GFADRO Cc1ccc([C@H](C)[NH2+][C@H]2CCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)cc1F ZINC000822229617 606717479 /nfs/dbraw/zinc/71/74/79/606717479.db2.gz YAUWUHUXGJDZIK-UGSOOPFHSA-N 1 0 380.427 2.770 20 0 GFADRO O=C1[C@H]([N@@H+]2CC[C@H](c3ccc(F)cc3)C2)CCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000823504053 606717538 /nfs/dbraw/zinc/71/75/38/606717538.db2.gz LIBYQEFPPDNNEN-QFBILLFUSA-N 1 0 392.438 2.601 20 0 GFADRO C[C@H](CC[S@@](C)=O)[NH2+]Cc1cccc(OCc2ccccc2-c2nn[nH]n2)c1 ZINC000820247908 606739960 /nfs/dbraw/zinc/73/99/60/606739960.db2.gz BUGLLBOIRQNMPU-WQIZZMQYSA-N 1 0 399.520 2.692 20 0 GFADRO CC(C)(C)OC(=O)C[C@@H]1CCC[N@H+](Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC000819927998 606753239 /nfs/dbraw/zinc/75/32/39/606753239.db2.gz FRTQNVPTUDXIIJ-ZDUSSCGKSA-N 1 0 375.448 2.950 20 0 GFADRO CN(C(=O)C=Cc1ccccc1-c1nn[nH]n1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000821569375 606812703 /nfs/dbraw/zinc/81/27/03/606812703.db2.gz IFWDIPYBAVZECC-JZHDPFOFSA-N 1 0 388.475 2.613 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)[C@@H](C)C1 ZINC000821255028 606834229 /nfs/dbraw/zinc/83/42/29/606834229.db2.gz SDNLJMKOCQIUEU-NHYWBVRUSA-N 1 0 377.880 2.714 20 0 GFADRO CC[C@@H](C)C(=O)Nc1cccc(C[NH2+]C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)c1 ZINC000820864332 606854183 /nfs/dbraw/zinc/85/41/83/606854183.db2.gz XYLVKBTXKNIKKH-AUUYWEPGSA-N 1 0 394.479 2.675 20 0 GFADRO CC1(C)CO[C@@H](c2ccccc2)C[N@@H+]1C[C@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000820606948 606893056 /nfs/dbraw/zinc/89/30/56/606893056.db2.gz GPUHKDUGBHXYGP-RBUKOAKNSA-N 1 0 379.464 2.752 20 0 GFADRO Cc1ccc([C@@H]2CSCC[N@@H+]2C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000822233894 606899617 /nfs/dbraw/zinc/89/96/17/606899617.db2.gz XLDMCZCHBPAOQE-OALUTQOASA-N 1 0 381.505 2.999 20 0 GFADRO CN(C)c1cccc([C@H]2CCC[N@@H+]2C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)c1 ZINC000821589356 606903075 /nfs/dbraw/zinc/90/30/75/606903075.db2.gz KLJYOXKAYJBGBS-WOJBJXKFSA-N 1 0 378.480 2.803 20 0 GFADRO Cc1cccc(C2(O)CC[NH+](C[C@H](O)c3ccc(-c4nn[nH]n4)cc3)CC2)c1C ZINC000822299804 606903584 /nfs/dbraw/zinc/90/35/84/606903584.db2.gz VIDFFCIHLMMVTN-FQEVSTJZSA-N 1 0 393.491 2.501 20 0 GFADRO C[C@H]1C[C@H](NC(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)C[N@@H+]1Cc1ccccc1 ZINC000820659049 606903755 /nfs/dbraw/zinc/90/37/55/606903755.db2.gz VUPUOAULNXZSOW-WFASDCNBSA-N 1 0 398.417 2.538 20 0 GFADRO CC[N@H+](Cc1ccc(F)c(-c2nn[nH]n2)c1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000821222782 606971656 /nfs/dbraw/zinc/97/16/56/606971656.db2.gz ZJOFLPKWDGGGNM-GOSISDBHSA-N 1 0 380.427 2.633 20 0 GFADRO Fc1ccc(C[NH+]2CCC(OC[C@@H]3CCCCO3)CC2)cc1-c1nn[nH]n1 ZINC000822766859 606979235 /nfs/dbraw/zinc/97/92/35/606979235.db2.gz OVZKKLHEWBYEBM-INIZCTEOSA-N 1 0 375.448 2.556 20 0 GFADRO O[C@H](C[C@@H]1CCC[N@@H+]1CCCOc1ccc(-c2nn[nH]n2)cc1)c1ccco1 ZINC000823675461 606986152 /nfs/dbraw/zinc/98/61/52/606986152.db2.gz WYHRCRHBVXCJQI-FUHWJXTLSA-N 1 0 383.452 2.817 20 0 GFADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)N(Cc1ccc(-c2nn[nH]n2)cc1)CC(C)C ZINC000820901327 606987182 /nfs/dbraw/zinc/98/71/82/606987182.db2.gz BEMWHEYORGPEJB-IBGZPJMESA-N 1 0 399.543 2.909 20 0 GFADRO Cc1cc(N2CCN(c3ncccc3-c3nn[nH]n3)CC2)c2cc(F)ccc2[nH+]1 ZINC000822207239 607024575 /nfs/dbraw/zinc/02/45/75/607024575.db2.gz PEHRYHWMSBGDPJ-UHFFFAOYSA-N 1 0 390.426 2.584 20 0 GFADRO C[C@H](Cc1cccc(F)c1)[NH2+]C1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1 ZINC000820300612 607046007 /nfs/dbraw/zinc/04/60/07/607046007.db2.gz RRJAWEUZKZZXDG-CQSZACIVSA-N 1 0 381.459 2.590 20 0 GFADRO Cc1cc(C(=O)NC2CC[NH+](Cc3cc(F)ccc3-c3nn[nH]n3)CC2)c(C)o1 ZINC000822167984 607062834 /nfs/dbraw/zinc/06/28/34/607062834.db2.gz KTTLHXVCVOGFOL-UHFFFAOYSA-N 1 0 398.442 2.610 20 0 GFADRO Cc1cccc([C@@H]2CCC[N@@H+]2CCC(=O)Nc2ccccc2-c2nn[nH]n2)n1 ZINC000822299929 607105522 /nfs/dbraw/zinc/10/55/22/607105522.db2.gz ZNAYBURHRLAQQR-SFHVURJKSA-N 1 0 377.452 2.736 20 0 GFADRO CCC1(CC)[C@H](OC)C[C@@H]1[N@H+](C)CCC(=O)Nc1ccccc1-c1nn[nH]n1 ZINC000820955638 607106277 /nfs/dbraw/zinc/10/62/77/607106277.db2.gz DGWLREAKKAQVKL-DLBZAZTESA-N 1 0 386.500 2.721 20 0 GFADRO C[NH+](C)CCN(Cc1ccc(F)cc1F)c1ccc(Cl)c(-c2nn[nH]n2)n1 ZINC000821586000 607114184 /nfs/dbraw/zinc/11/41/84/607114184.db2.gz FLMUAMSKAOUJJQ-UHFFFAOYSA-N 1 0 393.829 2.762 20 0 GFADRO Cc1ccc(-c2nn[nH]n2)c(NCc2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)n1 ZINC000822215310 607227606 /nfs/dbraw/zinc/22/76/06/607227606.db2.gz VIJBXSCXHYMMQA-HOTGVXAUSA-N 1 0 393.495 2.791 20 0 GFADRO Fc1ccc2c(c1)[C@@H]([NH+]1CCN(c3cc(-c4nn[nH]n4)ccn3)CC1)CCC2 ZINC000826376104 607795110 /nfs/dbraw/zinc/79/51/10/607795110.db2.gz OVRVQHMFMMKVSF-SFHVURJKSA-N 1 0 379.443 2.600 20 0 GFADRO C[C@@H]1C[C@@H](CCNC(=O)c2cccc(-c3nn[nH]n3)c2)C[N@@H+]1Cc1ccccc1 ZINC000824885100 607795643 /nfs/dbraw/zinc/79/56/43/607795643.db2.gz REDBEQTYHNSPKA-SJLPKXTDSA-N 1 0 390.491 2.897 20 0 GFADRO CC(C)[C@H](C[NH2+]CCS(=O)(=O)c1cccc(-c2nn[nH]n2)c1)c1ccccc1 ZINC000824192838 607815137 /nfs/dbraw/zinc/81/51/37/607815137.db2.gz MTDNYWSWYJUWLR-IBGZPJMESA-N 1 0 399.520 2.670 20 0 GFADRO CCC[C@H]1[C@H](C)CCC[N@@H+]1CCS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000825251549 607816235 /nfs/dbraw/zinc/81/62/35/607816235.db2.gz CCWDYBIBLIMAOY-PBHICJAKSA-N 1 0 377.514 2.541 20 0 GFADRO CCC[C@@H]1[C@@H](C)CCC[N@@H+]1CCS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000825251551 607816364 /nfs/dbraw/zinc/81/63/64/607816364.db2.gz CCWDYBIBLIMAOY-WMLDXEAASA-N 1 0 377.514 2.541 20 0 GFADRO Clc1cccc(-c2nn[nH]n2)c1N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000826352455 607849937 /nfs/dbraw/zinc/84/99/37/607849937.db2.gz BIMYZPPQLGSAHQ-CQSZACIVSA-N 1 0 376.892 2.601 20 0 GFADRO O[C@H]1C[C@H](c2ccc(F)cc2)[N@H+](CCCOc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000826506445 607943662 /nfs/dbraw/zinc/94/36/62/607943662.db2.gz UUPRNXZKDOZWJM-PKOBYXMFSA-N 1 0 383.427 2.583 20 0 GFADRO C[C@H]([NH2+][C@H]1CCCN(Cc2ccccc2)C1=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000824547445 608015430 /nfs/dbraw/zinc/01/54/30/608015430.db2.gz OINRGKGUJCHZNN-KXBFYZLASA-N 1 0 376.464 2.709 20 0 GFADRO C[NH2+]CCCc1[nH]nc(NC(=O)C[C@H]2C[C@H](C)CC(C)(C)C2)c1-c1nn[nH]n1 ZINC000826077851 608020513 /nfs/dbraw/zinc/02/05/13/608020513.db2.gz XQVZJHNKCDXWNR-QWHCGFSZSA-N 1 0 388.520 2.533 20 0 GFADRO c1ccc(C[N@@H+]2CCC3(C2)CCN(c2ncccc2-c2nn[nH]n2)CC3)cc1 ZINC000826521706 608099219 /nfs/dbraw/zinc/09/92/19/608099219.db2.gz WIQKXRQOYKBFKG-UHFFFAOYSA-N 1 0 375.480 2.754 20 0 GFADRO COc1ccc(C[NH2+]Cc2cc3ccccc3nc2OC)cc1-c1nn[nH]n1 ZINC000826202807 608122438 /nfs/dbraw/zinc/12/24/38/608122438.db2.gz NSBGQMLIHAPYCL-UHFFFAOYSA-N 1 0 376.420 2.722 20 0 GFADRO Cc1cc(C)cc([C@H]2CC[N@H+](C[C@H](O)COc3ccc(-c4nn[nH]n4)cc3)C2)c1 ZINC000826264445 608128476 /nfs/dbraw/zinc/12/84/76/608128476.db2.gz OSLQPCWVFNNUKD-ICSRJNTNSA-N 1 0 393.491 2.713 20 0 GFADRO C[C@@H](C[N@H+](C)[C@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O)c1nccs1 ZINC000824413463 608132752 /nfs/dbraw/zinc/13/27/52/608132752.db2.gz LTQPUHPUJQOTSZ-BBRMVZONSA-N 1 0 397.508 2.554 20 0 GFADRO C[C@@H](C(=O)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)c1ccccc1 ZINC000826231185 608144766 /nfs/dbraw/zinc/14/47/66/608144766.db2.gz AQGZFFFUEBNSNC-QGZVFWFLSA-N 1 0 390.491 2.705 20 0 GFADRO CC[N@H+](C[C@@H](O)c1ccc(C)cc1)[C@@H](C)C(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000825398878 608157469 /nfs/dbraw/zinc/15/74/69/608157469.db2.gz ACSWQUWPSGIJAM-HNAYVOBHSA-N 1 0 394.479 2.558 20 0 GFADRO CC[N@@H+]1C[C@@H](C)N(C(=O)Nc2cc(-c3nn[nH]n3)ccc2OC(C)C)C[C@@H]1C ZINC000825443268 608269180 /nfs/dbraw/zinc/26/91/80/608269180.db2.gz BAVTWDCVKTWPOG-UONOGXRCSA-N 1 0 387.488 2.600 20 0 GFADRO Fc1ccc(-c2nn[nH]n2)cc1CNC1CC[NH+](CCc2ccccc2)CC1 ZINC000826373186 608285720 /nfs/dbraw/zinc/28/57/20/608285720.db2.gz CNCGOIWLAJJEEN-UHFFFAOYSA-N 1 0 380.471 2.803 20 0 GFADRO COCCc1nc(C)c([C@H](C)[NH2+]Cc2ccc(OC)c(-c3nn[nH]n3)c2)s1 ZINC000826163015 608288147 /nfs/dbraw/zinc/28/81/47/608288147.db2.gz CFDUMHYJBMYOFD-NSHDSACASA-N 1 0 388.497 2.680 20 0 GFADRO Cc1ncc([C@H](C)[NH2+]C2CCC(Oc3ccc(-c4nn[nH]n4)cn3)CC2)c(C)n1 ZINC000826329807 608288286 /nfs/dbraw/zinc/28/82/86/608288286.db2.gz SMSYFSNVEDTRCJ-IGEOTXOUSA-N 1 0 394.483 2.709 20 0 GFADRO c1c2c(nc(N3CC[C@@H]4[C@H](CCC[N@H+]4C4CC4)C3)c1-c1nn[nH]n1)CCCC2 ZINC000826512267 608299485 /nfs/dbraw/zinc/29/94/85/608299485.db2.gz VCMYLAXPFOHLHV-DNVCBOLYSA-N 1 0 379.512 2.594 20 0 GFADRO Cc1cc(F)cc2c1ncc(-c1nn[nH]n1)c2N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000826267958 608368964 /nfs/dbraw/zinc/36/89/64/608368964.db2.gz DNJHCKSHZURFKM-OAHLLOKOSA-N 1 0 381.459 2.927 20 0 GFADRO C[N@@H+]1CCN(C(=O)c2cccc(Nc3ccc(-c4nn[nH]n4)cc3)c2)C(C)(C)C1 ZINC000826038715 608383623 /nfs/dbraw/zinc/38/36/23/608383623.db2.gz VZVIDBAURAKSRV-UHFFFAOYSA-N 1 0 391.479 2.777 20 0 GFADRO C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNc2ccc(-c3nn[nH]n3)nn2)C1 ZINC000824875049 608399092 /nfs/dbraw/zinc/39/90/92/608399092.db2.gz HUPUSXACWSQWTP-GJZGRUSLSA-N 1 0 378.484 2.747 20 0 GFADRO O=C(Nc1ccc(O)cc1)C1CC[NH+](Cc2cccc(-c3nn[nH]n3)c2F)CC1 ZINC000826455030 608403248 /nfs/dbraw/zinc/40/32/48/608403248.db2.gz WISYBMUFZKIMBQ-UHFFFAOYSA-N 1 0 396.426 2.562 20 0 GFADRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000825459499 608407979 /nfs/dbraw/zinc/40/79/79/608407979.db2.gz LXXMLDLKSVXPDP-LJQANCHMSA-N 1 0 395.511 2.540 20 0 GFADRO C[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)C[N@@H+]1Cc1cccc(-c2nn[nH]n2)c1F ZINC000824886434 608412554 /nfs/dbraw/zinc/41/25/54/608412554.db2.gz YZLUEQBFKLCVPZ-CHWSQXEVSA-N 1 0 390.463 2.741 20 0 GFADRO C[C@@H]([NH2+]CCCOc1ccc(-c2nn[nH]n2)cc1)c1ccc2c(c1)OCCO2 ZINC000824592321 608425375 /nfs/dbraw/zinc/42/53/75/608425375.db2.gz LTNCEIHJBAWZCR-CQSZACIVSA-N 1 0 381.436 2.758 20 0 GFADRO CC(C)N(Cc1ccccc1)C(=O)C[NH2+][C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000824555588 608461098 /nfs/dbraw/zinc/46/10/98/608461098.db2.gz XXCCJHBDUBFUEV-INIZCTEOSA-N 1 0 378.480 2.955 20 0 GFADRO c1ccc2c(c1)OC[C@H](C[N@H+]1CC=C(c3ccc(-c4nn[nH]n4)cc3)CC1)O2 ZINC000823868161 608461254 /nfs/dbraw/zinc/46/12/54/608461254.db2.gz PBQPKZJAFOTSCK-SFHVURJKSA-N 1 0 375.432 2.796 20 0 GFADRO C[C@@H]([NH2+]CC(=O)Nc1nc2ccc(F)cc2s1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824562029 608463545 /nfs/dbraw/zinc/46/35/45/608463545.db2.gz BPOWGJALAOLPMH-SNVBAGLBSA-N 1 0 397.439 2.905 20 0 GFADRO COc1cc(-c2nn[nH]n2)ccc1C[NH2+][C@@H](C)c1ccc(N2CCOC2=O)cc1 ZINC000826169703 608475468 /nfs/dbraw/zinc/47/54/68/608475468.db2.gz BHYZTZUOBIDQJS-ZDUSSCGKSA-N 1 0 394.435 2.683 20 0 GFADRO C[C@@H]([NH2+][C@H](C)c1cccc(O)c1)C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000824533116 608475861 /nfs/dbraw/zinc/47/58/61/608475861.db2.gz ZBMKDDPDNKYOPV-GHMZBOCLSA-N 1 0 386.843 2.904 20 0 GFADRO CCN(Cc1ccccc1)C(=O)[C@@H](C)[NH2+][C@H](C)c1cccc(-c2nn[nH]n2)c1 ZINC000825439851 608482527 /nfs/dbraw/zinc/48/25/27/608482527.db2.gz QNTFOTJPJIGWTO-HZPDHXFCSA-N 1 0 378.480 2.955 20 0 GFADRO CC(C)CN(CC(F)(F)F)C(=O)C[NH2+][C@H](C)c1cccc(-c2nn[nH]n2)c1 ZINC000824255732 608487798 /nfs/dbraw/zinc/48/77/98/608487798.db2.gz VMCPLHSQMOCKAE-GFCCVEGCSA-N 1 0 384.406 2.564 20 0 GFADRO CC(C)CN(CC(F)(F)F)C(=O)C[NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1 ZINC000824255733 608488018 /nfs/dbraw/zinc/48/80/18/608488018.db2.gz VMCPLHSQMOCKAE-LBPRGKRZSA-N 1 0 384.406 2.564 20 0 GFADRO CC[C@@H]1Oc2cc([C@H](C)[NH2+]Cc3ccc(F)c(-c4nn[nH]n4)c3)ccc2NC1=O ZINC000825219666 608538408 /nfs/dbraw/zinc/53/84/08/608538408.db2.gz LITRLXZYTKJROV-GTNSWQLSSA-N 1 0 396.426 2.966 20 0 GFADRO COc1cccc(F)c1[C@@H](C)[NH2+]CCC(=O)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000826217081 608538590 /nfs/dbraw/zinc/53/85/90/608538590.db2.gz YEHUHGPBTRGSBT-GFCCVEGCSA-N 1 0 384.415 2.694 20 0 GFADRO O=C(C[NH2+][C@@H](C[C@@H]1CCOC1)c1ccccc1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000826412549 608553228 /nfs/dbraw/zinc/55/32/28/608553228.db2.gz SBWHVFKMWHOOSV-KXBFYZLASA-N 1 0 392.463 2.563 20 0 GFADRO CN1C(=O)C[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)[C@@H]1c1ccc(Cl)cc1 ZINC000826010100 608568585 /nfs/dbraw/zinc/56/85/85/608568585.db2.gz CNARMQDJIOBJGI-WMZOPIPTSA-N 1 0 382.855 2.582 20 0 GFADRO COc1ccc(C[NH2+]C2CCC(Oc3ccc(-c4nn[nH]n4)cn3)CC2)cc1F ZINC000826202682 608569806 /nfs/dbraw/zinc/56/98/06/608569806.db2.gz ILSNRNDHEQUQTQ-UHFFFAOYSA-N 1 0 398.442 2.889 20 0 GFADRO O[C@H](C[NH+]1CCC(OCc2ccc(F)cc2)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000826502609 608591267 /nfs/dbraw/zinc/59/12/67/608591267.db2.gz HBAYKSMDKHMXMK-HXUWFJFHSA-N 1 0 397.454 2.720 20 0 GFADRO Cc1cc(-c2nn[nH]n2)ccc1Oc1ccc(C(=O)N(C)CCC[NH+](C)C)cc1 ZINC000826255287 608592423 /nfs/dbraw/zinc/59/24/23/608592423.db2.gz RNKJPMCZJGEUEM-UHFFFAOYSA-N 1 0 394.479 2.991 20 0 GFADRO Fc1ccc(C[C@H]2CCC[N@@H+]2Cc2cnc3ccc(-c4nn[nH]n4)cn23)cc1 ZINC000826373812 608621965 /nfs/dbraw/zinc/62/19/65/608621965.db2.gz AOMMYNHZQCTFII-QGZVFWFLSA-N 1 0 377.427 2.861 20 0 GFADRO O=C(Nc1ccccc1)NC1CC[NH+](Cc2cc(-c3nn[nH]n3)cs2)CC1 ZINC000826457245 608631215 /nfs/dbraw/zinc/63/12/15/608631215.db2.gz SRMKFHYTQJHGGC-UHFFFAOYSA-N 1 0 383.481 2.714 20 0 GFADRO C[C@]1(O)CCC[N@H+](Cc2cccc(OCc3ccccc3-c3nn[nH]n3)c2)C1 ZINC000824844530 608718812 /nfs/dbraw/zinc/71/88/12/608718812.db2.gz XSRYWCCLWXVHBV-NRFANRHFSA-N 1 0 379.464 2.793 20 0 GFADRO C[C@@H]([NH2+]CC1(N(C)C)Cc2ccccc2C1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824576900 609145820 /nfs/dbraw/zinc/14/58/20/609145820.db2.gz FDAGUZBCOQFNAK-CQSZACIVSA-N 1 0 380.471 2.756 20 0 GFADRO CC[C@@H]1CN(C(=O)C2CC2)CC[C@H]1[NH2+][C@H](C)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000825205439 609148651 /nfs/dbraw/zinc/14/86/51/609148651.db2.gz WBGOBKFXAMQEJE-SNUQEOBHSA-N 1 0 386.475 2.694 20 0 GFADRO COc1cc(-c2nn[nH]n2)ccc1OCC[N@@H+]1C[C@H](C(F)(F)F)CC[C@H]1C ZINC000826175474 609149267 /nfs/dbraw/zinc/14/92/67/609149267.db2.gz GQKVFLKMZSCLFU-DGCLKSJQSA-N 1 0 385.390 2.917 20 0 GFADRO C[C@H]([NH2+][C@H]1CCN(c2ncccc2Cl)C1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824555840 609149702 /nfs/dbraw/zinc/14/97/02/609149702.db2.gz YIDOLIKKAOKVDS-AAEUAGOBSA-N 1 0 387.850 2.984 20 0 GFADRO CC[C@H]1C[C@H](C[N@@H+]2CCCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)CCO1 ZINC000825184672 609170234 /nfs/dbraw/zinc/17/02/34/609170234.db2.gz XTDQZRRSHAWFDO-QUCCMNQESA-N 1 0 384.528 2.580 20 0 GFADRO CC(C)c1nnc2n1C[C@H]([NH2+][C@@H]1CCCc3cc(-c4nn[nH]n4)ccc31)CC2 ZINC000824364498 609184475 /nfs/dbraw/zinc/18/44/75/609184475.db2.gz JBHXYOFKVDTDGI-NVXWUHKLSA-N 1 0 378.484 2.564 20 0 GFADRO C[C@@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)cn1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824655880 609251410 /nfs/dbraw/zinc/25/14/10/609251410.db2.gz GJEJZUICOIHDES-CZUORRHYSA-N 1 0 396.474 2.714 20 0 GFADRO CC(C)[C@](C)(CNC(=O)OC(C)(C)C)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC000824193093 609260477 /nfs/dbraw/zinc/26/04/77/609260477.db2.gz SDHWBYLVKKRQTL-KRWDZBQOSA-N 1 0 380.518 2.957 20 0 GFADRO COc1cccc(N2CC[C@H]([NH2+][C@H](C)c3ccc(-c4nn[nH]n4)cc3F)C2)c1 ZINC000826216717 609334181 /nfs/dbraw/zinc/33/41/81/609334181.db2.gz KVBQWTIWCFPXNY-HIFRSBDPSA-N 1 0 382.443 2.944 20 0 GFADRO Cn1cc(C[NH2+][C@H]2C[C@H]2Cc2ccccc2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826361302 609340183 /nfs/dbraw/zinc/34/01/83/609340183.db2.gz SCBSINYYBLQXHF-QUCCMNQESA-N 1 0 385.475 2.988 20 0 GFADRO CCc1cnc(CC[NH2+]Cc2cn(C)nc2-c2ccc(-c3nn[nH]n3)cc2)s1 ZINC000825734271 609341379 /nfs/dbraw/zinc/34/13/79/609341379.db2.gz LAZRDOMOCXYMDJ-UHFFFAOYSA-N 1 0 394.508 2.618 20 0 GFADRO C[C@@H]([NH2+][C@@H](C)c1ccc(-n2ccnn2)cc1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824531677 609344909 /nfs/dbraw/zinc/34/49/09/609344909.db2.gz QBLWTKBIUXFPJC-QWHCGFSZSA-N 1 0 378.415 2.998 20 0 GFADRO C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1Cc1ccc(-c2nn[nH]n2)cc1Br ZINC000825000151 609361882 /nfs/dbraw/zinc/36/18/82/609361882.db2.gz NDYAWOIPYZKMBD-SWLSCSKDSA-N 1 0 391.317 2.688 20 0 GFADRO C[N@@H+]1CCC[C@H]2CN(Cc3ccc(-c4nn[nH]n4)cc3Br)CC[C@H]21 ZINC000826034443 609364758 /nfs/dbraw/zinc/36/47/58/609364758.db2.gz QVEXUFNOODKXSR-GOEBONIOSA-N 1 0 391.317 2.545 20 0 GFADRO C[C@]1(CCCO)CCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1Br ZINC000824816508 609365888 /nfs/dbraw/zinc/36/58/88/609365888.db2.gz FOFHMLKVEXBTGX-MRXNPFEDSA-N 1 0 380.290 2.756 20 0 GFADRO NC(=O)[C@H]([NH2+]C1CCC(c2ccc(F)cc2)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000826388852 609375220 /nfs/dbraw/zinc/37/52/20/609375220.db2.gz KMDDIZKBUOJVCZ-DNOPENIRSA-N 1 0 394.454 2.848 20 0 GFADRO O[C@H]1CC[N@H+](Cc2ccccc2CNc2cc(Cl)ccc2-c2nn[nH]n2)C1 ZINC000826507040 609388311 /nfs/dbraw/zinc/38/83/11/609388311.db2.gz HWKCVUOHBYCPSB-INIZCTEOSA-N 1 0 384.871 2.699 20 0 GFADRO CSc1ccc(C[NH2+][C@@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)cc1 ZINC000826230997 609414876 /nfs/dbraw/zinc/41/48/76/609414876.db2.gz SBHXCJOQPVXNCO-GOSISDBHSA-N 1 0 394.504 2.874 20 0 GFADRO Cc1nccn1-c1ccc([C@@H](C)[NH2+]C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000826330794 609423865 /nfs/dbraw/zinc/42/38/65/609423865.db2.gz IOTWLBIEFCLELH-JLTOFOAXSA-N 1 0 389.463 2.745 20 0 GFADRO CC(C)[N@@H+]1CC[C@@H](Nc2ccc(-c3nn[nH]n3)nn2)[C@H]1c1ccc(F)c(F)c1 ZINC000824297794 609434216 /nfs/dbraw/zinc/43/42/16/609434216.db2.gz ZXUXQVBCKFDVBN-RHSMWYFYSA-N 1 0 386.410 2.571 20 0 GFADRO C[C@@H](NC(=O)Nc1ccc(-c2nn[nH]n2)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000824505228 609447282 /nfs/dbraw/zinc/44/72/82/609447282.db2.gz ABZIEVKLWQISIY-CRAIPNDOSA-N 1 0 391.479 2.899 20 0 GFADRO C[C@H](NC(=O)c1ccc(-c2nn[nH]n2)s1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000824514189 609456675 /nfs/dbraw/zinc/45/66/75/609456675.db2.gz MWPDSXDYKJVPDV-DZGCQCFKSA-N 1 0 382.493 2.569 20 0 GFADRO CC[NH+](CC)Cc1cccc(CNc2nc3ccccn3c2-c2nn[nH]n2)c1 ZINC000825415935 609461497 /nfs/dbraw/zinc/46/14/97/609461497.db2.gz FWIISYKPQQNOJM-UHFFFAOYSA-N 1 0 376.468 2.968 20 0 GFADRO Clc1ccccc1CCC[NH+]1CCN(c2ncccc2-c2nn[nH]n2)CC1 ZINC000826353551 609515061 /nfs/dbraw/zinc/51/50/61/609515061.db2.gz USVIUNRTBUULFJ-UHFFFAOYSA-N 1 0 383.887 2.670 20 0 GFADRO c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H](Nc4ncccc4-c4nn[nH]n4)[C@@H]3C2)cc1 ZINC000826521461 609595530 /nfs/dbraw/zinc/59/55/30/609595530.db2.gz NBUZEHHTAUVICM-UHOSZYNNSA-N 1 0 375.480 2.974 20 0 GFADRO C[NH+](C)CCn1ccc(NC(=O)[C@H]2C[C@@H]2c2cccc(Br)c2)n1 ZINC000522272269 650624602 /nfs/dbraw/zinc/62/46/02/650624602.db2.gz NWWXQHKSGAIMFT-CABCVRRESA-N 1 0 377.286 2.949 20 0 GFADRO C[C@@H](NC(=O)Nc1ccn(CC[NH+](C)C)n1)c1nc(C(F)(F)F)cs1 ZINC000488531817 650747084 /nfs/dbraw/zinc/74/70/84/650747084.db2.gz MZZIFUVVZKTSCG-SECBINFHSA-N 1 0 376.408 2.803 20 0 GFADRO CN(C[C@H]1CCC[N@@H+]1C)CN1CC[C@@H](c2cccc(Br)c2)C1=O ZINC000817374533 660192291 /nfs/dbraw/zinc/19/22/91/660192291.db2.gz LKTRUDPVBHPWGK-SJORKVTESA-N 1 0 380.330 2.749 20 0 GFADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)C(F)(F)c1cc(Cl)ccc1Cl ZINC000817532334 660199651 /nfs/dbraw/zinc/19/96/51/660199651.db2.gz JPLBBTCFYXKJHZ-NSHDSACASA-N 1 0 380.266 2.837 20 0 GFADRO CCOC(=O)[C@@H]1NCC[C@@H]1[NH2+][C@H]1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000817900787 660211695 /nfs/dbraw/zinc/21/16/95/660211695.db2.gz RZFYEIHEWSFEDM-MTVMDMGHSA-N 1 0 376.341 2.779 20 0 GFADRO O=C(c1ccc(-n2cc(Br)cn2)cc1)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000818016717 660213694 /nfs/dbraw/zinc/21/36/94/660213694.db2.gz NQHWDLOLQBUINU-QGZVFWFLSA-N 1 0 375.270 2.603 20 0 GFADRO C[NH+](C)CCn1nccc1NC(=O)Cc1cc(C(F)(F)F)cc(Cl)n1 ZINC000818938044 660236044 /nfs/dbraw/zinc/23/60/44/660236044.db2.gz RVKBIEOPWHMWFZ-UHFFFAOYSA-N 1 0 375.782 2.693 20 0 GFADRO O=C1[C@@H]([NH2+]C[C@@H](O)c2ccc(Br)cc2)CCN1Cc1ccccc1 ZINC000818984085 660241327 /nfs/dbraw/zinc/24/13/27/660241327.db2.gz WBOHEBWBUYMLSL-ZWKOTPCHSA-N 1 0 389.293 2.873 20 0 GFADRO CC(C)(C)OC(=O)CS(=O)(=O)CC[NH2+]CC(C)(C)c1cccc(Cl)c1 ZINC000818985690 660241713 /nfs/dbraw/zinc/24/17/13/660241713.db2.gz UYGQSTRKVHEXOH-UHFFFAOYSA-N 1 0 389.945 2.964 20 0 GFADRO CC(C)(C)OC(=O)NC[C@@](C)(O)C[NH2+]CCc1ccc(Br)cc1 ZINC000819079420 660245648 /nfs/dbraw/zinc/24/56/48/660245648.db2.gz ABHHCWCVGAAILS-KRWDZBQOSA-N 1 0 387.318 2.857 20 0 GFADRO O=C1[C@@H]([NH2+]C[C@H](O)c2ccccc2Br)CCN1c1ccccc1 ZINC000819046260 660244469 /nfs/dbraw/zinc/24/44/69/660244469.db2.gz OSPXQPIJBLVSQI-IRXDYDNUSA-N 1 0 375.266 2.878 20 0 GFADRO COc1cc(NC(=O)CC[NH2+]C[C@@H](OC)C(F)(F)F)c(OC)cc1Cl ZINC000819067840 660245208 /nfs/dbraw/zinc/24/52/08/660245208.db2.gz JQOJOHVCIIKOKY-CYBMUJFWSA-N 1 0 384.782 2.853 20 0 GFADRO C[C@](O)(C[NH2+]CCCOC1CCOCC1)c1ccc(Br)cc1F ZINC000819101684 660246577 /nfs/dbraw/zinc/24/65/77/660246577.db2.gz XTGWTUNMJHHQIC-KRWDZBQOSA-N 1 0 390.293 2.971 20 0 GFADRO CC(C)(C)OC(=O)CS(=O)(=O)CC[NH2+]C[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000819140858 660247816 /nfs/dbraw/zinc/24/78/16/660247816.db2.gz FIBDWTMJVSYKCK-OLZOCXBDSA-N 1 0 387.464 2.701 20 0 GFADRO C[C@@](O)(C[NH2+]CCCO[C@H]1CCOC1)c1ccc(Br)cc1F ZINC000819150900 660248184 /nfs/dbraw/zinc/24/81/84/660248184.db2.gz SZOQCTWMAYCWDU-XJKSGUPXSA-N 1 0 376.266 2.581 20 0 GFADRO COc1ccc(CC[NH2+]C[C@H](O)c2ccc(S(C)(=O)=O)cc2)c(Cl)c1 ZINC000819159240 660248397 /nfs/dbraw/zinc/24/83/97/660248397.db2.gz KPWZVFRRQNAIGN-SFHVURJKSA-N 1 0 383.897 2.618 20 0 GFADRO O=C1[C@H]([NH2+]C[C@H](O)c2ccc(Br)cc2)CCCN1CC(F)(F)F ZINC000819181751 660249094 /nfs/dbraw/zinc/24/90/94/660249094.db2.gz APEMVANQSDSSAD-OLZOCXBDSA-N 1 0 395.219 2.625 20 0 GFADRO O=S(=O)(NCC[NH2+]C[C@H](O)c1ccc(Cl)cc1)c1ccc(Cl)s1 ZINC000819186649 660249451 /nfs/dbraw/zinc/24/94/51/660249451.db2.gz UDZUSRSIBUSFCH-LBPRGKRZSA-N 1 0 395.333 2.656 20 0 GFADRO COCCn1cc2c(n1)[C@@H]([NH2+]C[C@@H](O)c1cccc(Br)c1)CCC2 ZINC000819220808 660250544 /nfs/dbraw/zinc/25/05/44/660250544.db2.gz TXKFFTGYJVZYGM-DLBZAZTESA-N 1 0 394.313 2.993 20 0 GFADRO Cc1cc(S(N)(=O)=O)ccc1C[NH2+]C[C@H](O)c1ccc(Cl)cc1Cl ZINC000819266643 660252928 /nfs/dbraw/zinc/25/29/28/660252928.db2.gz GGLAKJSBLXUEAM-INIZCTEOSA-N 1 0 389.304 2.772 20 0 GFADRO CS(=O)(=O)c1ccc([C@@H](O)C[NH2+]Cc2cc(F)c(Cl)cc2F)cc1 ZINC000819272543 660253072 /nfs/dbraw/zinc/25/30/72/660253072.db2.gz YRIKCIZELYHWPD-INIZCTEOSA-N 1 0 375.824 2.845 20 0 GFADRO C[C@@H](CCNS(=O)(=O)c1ccccc1)[NH2+]C[C@@H](O)c1cccc(Cl)c1 ZINC000819298476 660253974 /nfs/dbraw/zinc/25/39/74/660253974.db2.gz MDVIHEUZBAYHQZ-KBXCAEBGSA-N 1 0 382.913 2.720 20 0 GFADRO C[C@H](CCNS(=O)(=O)c1ccccc1)[NH2+]C[C@@H](O)c1cccc(Cl)c1 ZINC000819298482 660254199 /nfs/dbraw/zinc/25/41/99/660254199.db2.gz MDVIHEUZBAYHQZ-RDTXWAMCSA-N 1 0 382.913 2.720 20 0 GFADRO Cc1cc(Br)cc(C)c1N1CCC[C@H]([NH2+]C[C@H](O)C2CC2)C1=O ZINC000819309683 660254482 /nfs/dbraw/zinc/25/44/82/660254482.db2.gz PHZYQRYCFJWDLU-HOTGVXAUSA-N 1 0 381.314 2.922 20 0 GFADRO COC(=O)N1CCC(C[NH2+]C[C@@H](O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000819307763 660254552 /nfs/dbraw/zinc/25/45/52/660254552.db2.gz GONUFJBIOHIIAA-CYBMUJFWSA-N 1 0 391.295 2.801 20 0 GFADRO CS(=O)(=O)c1ccccc1C[NH2+]C[C@@H](O)c1ccccc1Br ZINC000819369639 660257048 /nfs/dbraw/zinc/25/70/48/660257048.db2.gz YMDLEXGVPDZOEN-OAHLLOKOSA-N 1 0 384.295 2.676 20 0 GFADRO CCOC(=O)c1cccc(OC[C@H](O)C[NH2+]C[C@]2(C)CC2(Cl)Cl)c1 ZINC000819348865 660256215 /nfs/dbraw/zinc/25/62/15/660256215.db2.gz RBQFFFWDNBEGET-CJNGLKHVSA-N 1 0 376.280 2.777 20 0 GFADRO Cn1nccc1[C@@H]1C[C@H]([NH2+]C[C@@H](O)c2ccc(F)c(Br)c2)CCO1 ZINC000819352690 660256361 /nfs/dbraw/zinc/25/63/61/660256361.db2.gz JHDSSEJDMGZNLE-JLZZUVOBSA-N 1 0 398.276 2.865 20 0 GFADRO Cn1nccc1[C@@H]1C[C@H]([NH2+]C[C@H](O)c2cccc(Br)c2)CCO1 ZINC000819352244 660256365 /nfs/dbraw/zinc/25/63/65/660256365.db2.gz DATYQVQZTPZXTG-PVAVHDDUSA-N 1 0 380.286 2.726 20 0 GFADRO CCOC(=O)N1CC[C@@H]([NH2+]C[C@@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000819239667 660251451 /nfs/dbraw/zinc/25/14/51/660251451.db2.gz UPQWVUFEWXMJEX-CHWSQXEVSA-N 1 0 377.268 2.554 20 0 GFADRO C[C@](O)(C[NH2+]CC1(CC(N)=O)CC1)c1ccc(Br)cc1Cl ZINC000819376089 660257309 /nfs/dbraw/zinc/25/73/09/660257309.db2.gz WMDLVQAOFFCSRG-AWEZNQCLSA-N 1 0 375.694 2.555 20 0 GFADRO COC(=O)[C@H]1C[C@@H]([NH2+]C[C@@](C)(O)c2ccc(Br)cc2Cl)C1 ZINC000819371211 660257353 /nfs/dbraw/zinc/25/73/53/660257353.db2.gz YTFZGVRPJHELAP-BPYAMOTFSA-N 1 0 376.678 2.851 20 0 GFADRO C[C@@](O)(C[NH2+][C@@H]1CCN(CC(F)F)C1)c1ccc(Br)cc1F ZINC000819376674 660257354 /nfs/dbraw/zinc/25/73/54/660257354.db2.gz FKDHAUDOQXBVDZ-IAQYHMDHSA-N 1 0 381.236 2.725 20 0 GFADRO Cc1ccc(NC(=O)c2cc(N)nc(Br)c2)c(OCC[NH+](C)C)c1 ZINC000820164246 660283549 /nfs/dbraw/zinc/28/35/49/660283549.db2.gz BHHJVPFAKFSATH-UHFFFAOYSA-N 1 0 393.285 2.927 20 0 GFADRO CC(C)C[C@H](NC(=O)c1cc(Cl)c(Cl)[nH]1)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000820418386 660292718 /nfs/dbraw/zinc/29/27/18/660292718.db2.gz GUCHZLVJKDQUSX-FZMZJTMJSA-N 1 0 389.327 2.629 20 0 GFADRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)c3ccc4c(Br)cnn4c3)C2)C1 ZINC000820607993 660298941 /nfs/dbraw/zinc/29/89/41/660298941.db2.gz DKDMBIWEGBLXMD-QGZVFWFLSA-N 1 0 377.286 2.655 20 0 GFADRO C[NH+]1CCC(OCC(=O)NCCc2ccc(Br)cc2Cl)CC1 ZINC000820771959 660305238 /nfs/dbraw/zinc/30/52/38/660305238.db2.gz NUBLPZBUBQTELM-UHFFFAOYSA-N 1 0 389.721 2.872 20 0 GFADRO C[C@]1(C(=O)N2CC[NH+](C3CCCC3)CC2)CC1(Br)Br ZINC000820973283 660311735 /nfs/dbraw/zinc/31/17/35/660311735.db2.gz HNUDXXMUMYJMKL-CYBMUJFWSA-N 1 0 394.151 2.969 20 0 GFADRO C[NH+](C)CCOc1ccc(CCC(=O)NCc2cc(Br)no2)cc1 ZINC000821004141 660312999 /nfs/dbraw/zinc/31/29/99/660312999.db2.gz MASYMNZNUABZTF-UHFFFAOYSA-N 1 0 396.285 2.627 20 0 GFADRO C[C@@H]1C[NH+](CCCNC(=O)[C@@H](O)c2ccc(Cl)c(Cl)c2)C[C@@H](C)O1 ZINC000822312766 660342886 /nfs/dbraw/zinc/34/28/86/660342886.db2.gz FYHVQXWBYZQJQE-HSMVNMDESA-N 1 0 375.296 2.642 20 0 GFADRO C[C@H](CNC(=O)[C@]1(C)CC1(Br)Br)C[NH+]1CCCC1 ZINC000822692626 660351974 /nfs/dbraw/zinc/35/19/74/660351974.db2.gz BQTFCRFPIDYKGP-PWSUYJOCSA-N 1 0 382.140 2.731 20 0 GFADRO COCC1(c2nc(Cc3ccc(F)c(Br)c3)no2)CC[NH2+]CC1 ZINC000822946200 660358665 /nfs/dbraw/zinc/35/86/65/660358665.db2.gz AEXUXOBGNBBHOK-UHFFFAOYSA-N 1 0 384.249 2.830 20 0 GFADRO C[C@@H](CNC(=O)[C@]1(C)CC1(Br)Br)[NH+]1CCCCC1 ZINC000822952725 660358834 /nfs/dbraw/zinc/35/88/34/660358834.db2.gz ANSRPYXBDOYFAM-JQWIXIFHSA-N 1 0 382.140 2.873 20 0 GFADRO Fc1cccc(Cc2noc(C[C@H]3CC[NH2+]C3)n2)c1I ZINC000822981061 660359345 /nfs/dbraw/zinc/35/93/45/660359345.db2.gz UTDCNMVKRUYASI-SECBINFHSA-N 1 0 387.196 2.556 20 0 GFADRO C[C@@H]1[NH2+]CC[C@@H]1c1nc(COc2ccc(I)cc2)no1 ZINC000823167351 660363757 /nfs/dbraw/zinc/36/37/57/660363757.db2.gz FUTXKTDVBFSQAQ-CABZTGNLSA-N 1 0 385.205 2.719 20 0 GFADRO C[NH+](C)CCOC1CCN(C(=O)[C@H](O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000823294036 660367698 /nfs/dbraw/zinc/36/76/98/660367698.db2.gz MEKBXYJIQXCJOD-MRXNPFEDSA-N 1 0 375.296 2.596 20 0 GFADRO Cn1nc(C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)cc1Br ZINC000823614199 660376528 /nfs/dbraw/zinc/37/65/28/660376528.db2.gz OUEWUGZSVHAGEB-GFCCVEGCSA-N 1 0 383.315 2.811 20 0 GFADRO CC[NH+]1CCC(CNC(=O)c2ccc(C(F)(F)Br)nc2)CC1 ZINC000823437767 660372120 /nfs/dbraw/zinc/37/21/20/660372120.db2.gz CBXCLHCJOUCWMW-UHFFFAOYSA-N 1 0 376.245 2.988 20 0 GFADRO C[NH+](C)Cc1ccccc1CNC(=O)c1c(Br)nc2n1CCC2 ZINC000823748165 660379219 /nfs/dbraw/zinc/37/92/19/660379219.db2.gz SLHQHQRYXFPJHZ-UHFFFAOYSA-N 1 0 377.286 2.583 20 0 GFADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+]C1CCC(C)(O)CC1 ZINC000823961075 660383331 /nfs/dbraw/zinc/38/33/31/660383331.db2.gz JNTRLBYBGCOFKK-QCGKTTIDSA-N 1 0 399.329 2.746 20 0 GFADRO COCC(C)(C)[NH+]1CCN(C(=O)Nc2cnc(Br)c(C)c2)CC1 ZINC000824272306 660388711 /nfs/dbraw/zinc/38/87/11/660388711.db2.gz SOQXYOSNEVRSOA-UHFFFAOYSA-N 1 0 385.306 2.727 20 0 GFADRO Cc1c(F)c(Br)ccc1NC(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000824555112 660396603 /nfs/dbraw/zinc/39/66/03/660396603.db2.gz BSFWUMVHUQNFSW-NWDGAFQWSA-N 1 0 386.265 2.881 20 0 GFADRO C[N@@H+](Cc1cc(F)cc(Br)c1)C[C@@H](O)CNC(=O)OC(C)(C)C ZINC000824572239 660397446 /nfs/dbraw/zinc/39/74/46/660397446.db2.gz VQWMZFIBTZAFBR-AWEZNQCLSA-N 1 0 391.281 2.906 20 0 GFADRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)c2csc(I)n2)C1 ZINC000824626726 660398349 /nfs/dbraw/zinc/39/83/49/660398349.db2.gz ANCGDXVFAIPQME-SNVBAGLBSA-N 1 0 393.294 2.598 20 0 GFADRO CCOC(=O)C1CCN(C(=O)C[C@H](C)[NH2+]C[C@@]2(C)CC2(Cl)Cl)CC1 ZINC000824773419 660401565 /nfs/dbraw/zinc/40/15/65/660401565.db2.gz KVDDFTGYZQNDEI-BLLLJJGKSA-N 1 0 379.328 2.740 20 0 GFADRO COc1cc(C[NH2+]CC[C@]2(C)CC2(Cl)Cl)cc(OC)c1OCC(N)=O ZINC000824964414 660406335 /nfs/dbraw/zinc/40/63/35/660406335.db2.gz WCTVJGLQPDHXSV-MRXNPFEDSA-N 1 0 391.295 2.632 20 0 GFADRO CC[NH+]1CCN(CC(C)(C)NCc2nc3ccccn3c2Br)CC1 ZINC000825280091 660418320 /nfs/dbraw/zinc/41/83/20/660418320.db2.gz XYKDEXVIBSCCMC-UHFFFAOYSA-N 1 0 394.361 2.603 20 0 GFADRO C[C@H](CS(=O)(=O)c1ccccc1)[NH2+]C[C@H](O)c1ccccc1Br ZINC000825342808 660421744 /nfs/dbraw/zinc/42/17/44/660421744.db2.gz HBXLSLPKGCSTPX-DYVFJYSZSA-N 1 0 398.322 2.935 20 0 GFADRO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2c(Br)nc3n2CCC3)C1 ZINC000825393231 660425165 /nfs/dbraw/zinc/42/51/65/660425165.db2.gz CCWFXKFWQGEAAW-LBPRGKRZSA-N 1 0 383.334 2.832 20 0 GFADRO CC[NH+](CC)[C@@H](CNC(=O)c1c(Br)nc2n1CCC2)c1ccco1 ZINC000825467494 660429034 /nfs/dbraw/zinc/42/90/34/660429034.db2.gz XPJALIXNVQZWMZ-LBPRGKRZSA-N 1 0 395.301 2.998 20 0 GFADRO C[NH+](C)CCNC(=O)c1cccc(CNC(=O)CC[C@@H]2CC2(Cl)Cl)c1 ZINC000825634181 660435501 /nfs/dbraw/zinc/43/55/01/660435501.db2.gz JKKCEAVGSXFOFU-OAHLLOKOSA-N 1 0 386.323 2.568 20 0 GFADRO Cn1nc(C(=O)NC[C@H]2CCC[N@@H+]2CC2CCCCC2)cc1Br ZINC000825781810 660442390 /nfs/dbraw/zinc/44/23/90/660442390.db2.gz JHTNDIYZEXBSPC-CQSZACIVSA-N 1 0 383.334 2.957 20 0 GFADRO CN(C(=O)c1cc(Br)n(C)n1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000825909694 660445523 /nfs/dbraw/zinc/44/55/23/660445523.db2.gz GESWXANVIYCVFF-UHFFFAOYSA-N 1 0 391.313 2.919 20 0 GFADRO CCc1ccc(Br)cc1C(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000826565577 660457157 /nfs/dbraw/zinc/45/71/57/660457157.db2.gz YMLBALXJGYQGMD-INIZCTEOSA-N 1 0 381.314 2.683 20 0 GFADRO CN1Cc2ccccc2[C@@H]1CNC(=O)c1c(Br)nc2n1CCCC2 ZINC000826689041 660461345 /nfs/dbraw/zinc/46/13/45/660461345.db2.gz JPJUZKGMBXIYFU-AWEZNQCLSA-N 1 0 389.297 2.898 20 0 GFADRO C[C@H](C(=O)N1CC[C@H]([NH+]2CCC2)C1)c1ccc(I)cc1 ZINC000826950352 660472723 /nfs/dbraw/zinc/47/27/23/660472723.db2.gz PIJVFTMDHVGLOB-WFASDCNBSA-N 1 0 384.261 2.701 20 0 GFADRO CC(C)(C)OC(=O)N1CC2(C1)C[C@@H]([NH2+]Cc1ccc(Br)cn1)CO2 ZINC000827065239 660477541 /nfs/dbraw/zinc/47/75/41/660477541.db2.gz IZHCLDKQEOLFJF-CQSZACIVSA-N 1 0 398.301 2.712 20 0 GFADRO C[C@@H]1CC[NH2+][C@@H](C(=O)N2CC[C@@]3(C)[C@@H](C2)C3(Br)Br)C1 ZINC000852901961 661876917 /nfs/dbraw/zinc/87/69/17/661876917.db2.gz XPLQNAOGMGOTML-UZWSLXQKSA-N 1 0 394.151 2.729 20 0 GFADRO Cc1ccc(I)c(C(=O)N2CC[C@H]3[C@@H](CC[N@H+]3C)C2)c1 ZINC000827331172 660489626 /nfs/dbraw/zinc/48/96/26/660489626.db2.gz WZWPSTPNRVLXNB-WFASDCNBSA-N 1 0 384.261 2.766 20 0 GFADRO COc1cc(C(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)cc(Br)c1OC ZINC000827264273 660486887 /nfs/dbraw/zinc/48/68/87/660486887.db2.gz ALRGFALQVUPGND-SMDDNHRTSA-N 1 0 383.286 2.633 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3cccc(F)c3I)CC[C@@H]21 ZINC000827299204 660488064 /nfs/dbraw/zinc/48/80/64/660488064.db2.gz KABMHSLTXXETIJ-MFKMUULPSA-N 1 0 388.224 2.597 20 0 GFADRO C/C(=C\c1ccc(Br)o1)C(=O)N1CCC([NH+]2CCN(C)CC2)CC1 ZINC000827426403 660494741 /nfs/dbraw/zinc/49/47/41/660494741.db2.gz XJDCYTWSYVIOHG-BUHFOSPRSA-N 1 0 396.329 2.684 20 0 GFADRO Cc1nc(Br)sc1C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000827495234 660499493 /nfs/dbraw/zinc/49/94/93/660499493.db2.gz UREPINCLKWDXRF-LBPRGKRZSA-N 1 0 388.331 2.587 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2C(=O)[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC000827501534 660499626 /nfs/dbraw/zinc/49/96/26/660499626.db2.gz VSVAYIOMBZFFRU-BASLNEPJSA-N 1 0 387.307 2.737 20 0 GFADRO COc1c(C)cnc(CNC(=O)[C@@](C)([NH3+])c2ccc(Br)cc2)c1C ZINC000827970889 660524829 /nfs/dbraw/zinc/52/48/29/660524829.db2.gz OQLRVLPVMQYLQQ-SFHVURJKSA-N 1 0 392.297 2.960 20 0 GFADRO Cc1cc(C(=O)NC23CC[NH+](CC2)C3)nn1-c1ccccc1Br ZINC000828010490 660526439 /nfs/dbraw/zinc/52/64/39/660526439.db2.gz VFNMRRCICZVDTA-UHFFFAOYSA-N 1 0 375.270 2.521 20 0 GFADRO O=C(N[C@H]1COc2cccc(Br)c2C1)C1CC[NH+](C2CC2)CC1 ZINC000828026659 660527079 /nfs/dbraw/zinc/52/70/79/660527079.db2.gz GDPMQHLSOVNDMV-CYBMUJFWSA-N 1 0 379.298 2.743 20 0 GFADRO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)c1cnnn1-c1cccc(Cl)c1Cl ZINC000829563385 660600648 /nfs/dbraw/zinc/60/06/48/660600648.db2.gz CIVJVOIUUVLCKJ-NWDGAFQWSA-N 1 0 380.279 2.883 20 0 GFADRO O=C(c1cc(Cl)nc(C(F)(F)F)c1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000829731170 660610325 /nfs/dbraw/zinc/61/03/25/660610325.db2.gz SPSVACAUSPSTBO-LLVKDONJSA-N 1 0 377.794 2.548 20 0 GFADRO CC[NH+](CC)CCN(Cc1cccs1)S(=O)(=O)c1c[nH]nc1Cl ZINC000829774922 660613280 /nfs/dbraw/zinc/61/32/80/660613280.db2.gz KFYKFQIJQGLNLD-UHFFFAOYSA-N 1 0 376.935 2.657 20 0 GFADRO O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)c1c(Cl)nc2cc(Cl)ccn21 ZINC000830155477 660638696 /nfs/dbraw/zinc/63/86/96/660638696.db2.gz LASDMKJKALSXQB-CYBMUJFWSA-N 1 0 383.279 2.624 20 0 GFADRO O=C1OCCN1C[C@@H]1CC[N@@H+](Cc2nc3ccc(Br)cc3o2)C1 ZINC000830130321 660637239 /nfs/dbraw/zinc/63/72/39/660637239.db2.gz RXPYUVJZQAVMLP-LLVKDONJSA-N 1 0 380.242 2.864 20 0 GFADRO C[N@H+](CCNS(=O)(=O)c1cnc(Cl)c(Br)c1)C1CCCC1 ZINC000830401922 660652628 /nfs/dbraw/zinc/65/26/28/660652628.db2.gz DBTPTQOMMNVJCG-UHFFFAOYSA-N 1 0 396.738 2.650 20 0 GFADRO CN(c1ccc(OCC[NH+](C)C)cc1)S(=O)(=O)C[C@@H]1CCCC1(F)F ZINC000830451581 660657406 /nfs/dbraw/zinc/65/74/06/660657406.db2.gz RBKQHMCNTFZNTE-AWEZNQCLSA-N 1 0 376.469 2.828 20 0 GFADRO CCN(C)C(=O)[C@@H]([NH2+]C[C@H](O)COc1cc(Cl)ccc1Cl)C(C)C ZINC000830858749 660683321 /nfs/dbraw/zinc/68/33/21/660683321.db2.gz FZQJHMMYSVKTJF-BBRMVZONSA-N 1 0 377.312 2.826 20 0 GFADRO [NH3+]CCCCCCNC(=O)N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000831146333 660699403 /nfs/dbraw/zinc/69/94/03/660699403.db2.gz FIPJDYGNZSBYFZ-HNNXBMFYSA-N 1 0 387.311 2.917 20 0 GFADRO C[C@H]1CN(C(=O)c2cc(Br)n[nH]2)[C@@H](C)CN1Cc1ccccc1 ZINC000831508592 660711671 /nfs/dbraw/zinc/71/16/71/660711671.db2.gz QRTWNRVBSBNQCC-STQMWFEESA-N 1 0 377.286 2.907 20 0 GFADRO CCO[C@H](CNC(=O)c1cc2sc(N3CCCC3)nc2s1)C[NH+](C)C ZINC000831720306 660722259 /nfs/dbraw/zinc/72/22/59/660722259.db2.gz ZPIUAJCHHRCIRM-GFCCVEGCSA-N 1 0 382.555 2.655 20 0 GFADRO CC[C@@H]1CN(C(=O)c2cc(Br)n[nH]2)CCN1Cc1ccccc1 ZINC000832171261 660760249 /nfs/dbraw/zinc/76/02/49/660760249.db2.gz QQDAGVTVVJOGLO-CQSZACIVSA-N 1 0 377.286 2.909 20 0 GFADRO C[NH2+][C@@H]1CCN(C(=O)c2cnn(-c3ncccc3Cl)c2C(F)(F)Cl)C1 ZINC000832250410 660768525 /nfs/dbraw/zinc/76/85/25/660768525.db2.gz PVGMAOIYUKVBHL-SECBINFHSA-N 1 0 390.221 2.643 20 0 GFADRO Cc1nc(SCC(C)C)sc1CC(=O)N1CC[N@H+](C[C@H](C)O)C[C@H]1C ZINC000832489800 660782487 /nfs/dbraw/zinc/78/24/87/660782487.db2.gz COSRDCSAMCIABK-KGLIPLIRSA-N 1 0 385.599 2.656 20 0 GFADRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)c1cc(Cl)nc(C(F)(F)F)c1 ZINC000832633138 660790707 /nfs/dbraw/zinc/79/07/07/660790707.db2.gz BFCOKCFVBMUKSC-SNVBAGLBSA-N 1 0 379.810 2.671 20 0 GFADRO CN(C(=O)c1cnn(-c2ncccc2Cl)c1C(F)(F)Cl)[C@H]1CC[NH2+]C1 ZINC000832659160 660792117 /nfs/dbraw/zinc/79/21/17/660792117.db2.gz OXUXZLWAPOWAED-VIFPVBQESA-N 1 0 390.221 2.643 20 0 GFADRO CNC(=O)c1cccc(C[N@H+](C)C[C@@H](O)c2ccccc2Br)c1 ZINC000832679794 660794728 /nfs/dbraw/zinc/79/47/28/660794728.db2.gz KEOHTSLEUQNZQZ-QGZVFWFLSA-N 1 0 377.282 2.974 20 0 GFADRO C[C@H]1[C@@H](NC(=O)c2cc(Br)n(C)n2)CC[N@@H+]1Cc1ccccc1 ZINC000832815550 660801878 /nfs/dbraw/zinc/80/18/78/660801878.db2.gz ROIKMLSMELSPPP-JSGCOSHPSA-N 1 0 377.286 2.575 20 0 GFADRO C[C@@H]1CN(C(=O)c2c(Br)nc3n2CCC3)CC[N@@H+](C2CCC2)C1 ZINC000833425990 660807820 /nfs/dbraw/zinc/80/78/20/660807820.db2.gz JUQOMGBHXUUHDN-LBPRGKRZSA-N 1 0 381.318 2.538 20 0 GFADRO C[C@H](C[NH3+])CNC(=O)c1cnn(-c2ncccc2Cl)c1C(F)(F)Cl ZINC000834340830 660814955 /nfs/dbraw/zinc/81/49/55/660814955.db2.gz GCTGTKSEEORDOM-MRVPVSSYSA-N 1 0 378.210 2.533 20 0 GFADRO C[C@H]1C[N@H+](CCCNC(=O)c2c(Cl)nc3cc(Cl)ccn32)CCCO1 ZINC000834452907 660821035 /nfs/dbraw/zinc/82/10/35/660821035.db2.gz KJISSGZDRXWWQH-LBPRGKRZSA-N 1 0 385.295 2.872 20 0 GFADRO C[C@]1(C(=O)NCC23CCC[NH+]2CCC3)CC1(Br)Br ZINC000834754631 660831939 /nfs/dbraw/zinc/83/19/39/660831939.db2.gz GLJFURJTJADNRB-LLVKDONJSA-N 1 0 380.124 2.627 20 0 GFADRO CC1([NH+]2CCC2)CCC(NC(=O)c2cc(I)c[nH]2)CC1 ZINC000834792560 660833115 /nfs/dbraw/zinc/83/31/15/660833115.db2.gz MQKCIACDLUVDMR-UHFFFAOYSA-N 1 0 387.265 2.756 20 0 GFADRO Cc1ccc(-n2nc(Br)cc2C(=O)N[C@@H](CC[NH3+])C(F)F)cc1 ZINC000834829428 660834550 /nfs/dbraw/zinc/83/45/50/660834550.db2.gz AVZHTBHXBXDNHE-NSHDSACASA-N 1 0 387.228 2.656 20 0 GFADRO O=C(NCCOc1ccc(Cl)c(Cl)c1)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000836280779 660898058 /nfs/dbraw/zinc/89/80/58/660898058.db2.gz BUMQUKHHXXKWDP-TZMCWYRMSA-N 1 0 388.295 2.535 20 0 GFADRO C[C@@]1(CCNC(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)CC1(Cl)Cl ZINC000836312551 660899130 /nfs/dbraw/zinc/89/91/30/660899130.db2.gz ZPKOTHGIVAKIDZ-XJKSGUPXSA-N 1 0 378.344 2.761 20 0 GFADRO CCC[N@H+](CC)C[C@@H](C)NC(=O)NC[C@H](O)c1ccccc1Br ZINC000836466840 660908493 /nfs/dbraw/zinc/90/84/93/660908493.db2.gz ORYFYRZJWVVUDR-CJNGLKHVSA-N 1 0 386.334 2.902 20 0 GFADRO C[C@]1(CNC(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)CC1(Cl)Cl ZINC000836590934 660918320 /nfs/dbraw/zinc/91/83/20/660918320.db2.gz WDSGMVVHRHFREO-SQWLQELKSA-N 1 0 378.344 2.637 20 0 GFADRO COc1c[nH+]ccc1N1CCN(C(=O)NCC[C@@]2(C)CC2(Cl)Cl)CC1 ZINC000836625896 660922885 /nfs/dbraw/zinc/92/28/85/660922885.db2.gz ZEABAZAXGDMIBX-INIZCTEOSA-N 1 0 387.311 2.896 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000041240916 654624755 /nfs/dbraw/zinc/62/47/55/654624755.db2.gz RMZZBUWIKUMPKC-UHFFFAOYSA-N 1 0 394.313 2.747 20 0 GFADRO C[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)Nc1ccc(Br)cc1F ZINC000041663967 654629540 /nfs/dbraw/zinc/62/95/40/654629540.db2.gz GZKARIQNYFWKHB-NSHDSACASA-N 1 0 386.265 2.517 20 0 GFADRO CCCNC(=O)C1CC[NH+](C[C@@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000042686936 654642408 /nfs/dbraw/zinc/64/24/08/654642408.db2.gz MOFOIYQIGGISFY-CQSZACIVSA-N 1 0 389.323 2.971 20 0 GFADRO Cc1c(C(=O)NCC[NH+]2CCCC2)cnn1-c1ccc(Br)cc1 ZINC000043642825 654650595 /nfs/dbraw/zinc/65/05/95/654650595.db2.gz ODYXORHVSFXOEI-UHFFFAOYSA-N 1 0 377.286 2.769 20 0 GFADRO C[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2ccc(Br)cc2Cl)C1 ZINC000044560347 654659594 /nfs/dbraw/zinc/65/95/94/654659594.db2.gz CVVOOMIIAWASGJ-JTQLQIEISA-N 1 0 381.723 2.723 20 0 GFADRO CC[NH+](CC)[C@H](CNC(=O)c1cnc2sccn2c1=O)c1ccsc1 ZINC000046688765 654683305 /nfs/dbraw/zinc/68/33/05/654683305.db2.gz BFZCERAJWOUVOT-CQSZACIVSA-N 1 0 376.507 2.630 20 0 GFADRO CC[NH+](CC)[C@H](CNC(=O)[C@H]1CS[C@@]2(C)CCC(=O)N12)c1ccsc1 ZINC000046945783 654688253 /nfs/dbraw/zinc/68/82/53/654688253.db2.gz RNXIPIUCVNZBDX-RKVPGOIHSA-N 1 0 381.567 2.701 20 0 GFADRO CCOC(=O)N[C@@H]1CCC[N@H+](C[C@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000047796587 654700940 /nfs/dbraw/zinc/70/09/40/654700940.db2.gz QORCTUDGAIZKRB-OLZOCXBDSA-N 1 0 391.295 2.944 20 0 GFADRO CC(C)CN1C(=O)C(=O)N(C[NH2+]C(C)(C)c2ccc(Br)cc2)C1=O ZINC000050898746 654721679 /nfs/dbraw/zinc/72/16/79/654721679.db2.gz PDGGBUYRBLAMPS-UHFFFAOYSA-N 1 0 396.285 2.678 20 0 GFADRO CS(=O)(=O)NCC[NH2+]Cc1ccc(-c2ccc(Br)cc2)s1 ZINC000051188482 654722747 /nfs/dbraw/zinc/72/27/47/654722747.db2.gz DLBNHGVHAQYVOH-UHFFFAOYSA-N 1 0 389.340 2.816 20 0 GFADRO CCc1nc(C)c([C@@H](C)[N@H+](C)CCOc2ccc(S(N)(=O)=O)cc2)s1 ZINC000121966817 654726130 /nfs/dbraw/zinc/72/61/30/654726130.db2.gz KUJKNGXVPUBSRW-CYBMUJFWSA-N 1 0 383.539 2.733 20 0 GFADRO CCc1nc(C)c([C@H](C)[N@H+](C)CCOc2ccc(S(N)(=O)=O)cc2)s1 ZINC000121967008 654726270 /nfs/dbraw/zinc/72/62/70/654726270.db2.gz KUJKNGXVPUBSRW-ZDUSSCGKSA-N 1 0 383.539 2.733 20 0 GFADRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)c1c(Br)nc2n1CCCC2 ZINC000837416932 660994966 /nfs/dbraw/zinc/99/49/66/660994966.db2.gz LPSBSIQTSGTGOV-ZDUSSCGKSA-N 1 0 383.334 2.976 20 0 GFADRO CN(C)C(=O)C1CC[NH+](CCC(=O)Nc2ccccc2Br)CC1 ZINC000051650701 654727291 /nfs/dbraw/zinc/72/72/91/654727291.db2.gz VDJMLCWYJNFUMA-UHFFFAOYSA-N 1 0 382.302 2.578 20 0 GFADRO Cc1cc(NC(=O)C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)ccc1Br ZINC000122292338 654732545 /nfs/dbraw/zinc/73/25/45/654732545.db2.gz LTJQZLGEARVNNG-CJNGLKHVSA-N 1 0 394.313 2.639 20 0 GFADRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1ccccc1Br ZINC000122296104 654732871 /nfs/dbraw/zinc/73/28/71/654732871.db2.gz LLHWMAYNUMTMNG-IAGOWNOFSA-N 1 0 381.314 2.947 20 0 GFADRO C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)N1CC[NH+](CC2CC2)CC1 ZINC000052165402 654733559 /nfs/dbraw/zinc/73/35/59/654733559.db2.gz SZJQQMBTGYJETH-OAHLLOKOSA-N 1 0 394.357 2.824 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000122451075 654737510 /nfs/dbraw/zinc/73/75/10/654737510.db2.gz IDGDPRKCASVGTD-LBPRGKRZSA-N 1 0 396.329 2.853 20 0 GFADRO CC[NH+](CC)C[C@@H]1CCN(C(=O)c2c(Br)nc3n2CCCC3)C1 ZINC000837443237 660997393 /nfs/dbraw/zinc/99/73/93/660997393.db2.gz IKJKUUAYFUWJBH-ZDUSSCGKSA-N 1 0 383.334 2.786 20 0 GFADRO CC[NH+]1CCN([C@@H](C)CNC(=O)c2cc(C)cc(C)c2Br)CC1 ZINC000123005806 654750005 /nfs/dbraw/zinc/75/00/05/654750005.db2.gz QZHWALOKNJPWTF-HNNXBMFYSA-N 1 0 382.346 2.822 20 0 GFADRO C[C@@H]1C[NH+](CCCNC(=O)c2cc3sc(N(C)C)nc3s2)C[C@@H](C)O1 ZINC000053794149 654750130 /nfs/dbraw/zinc/75/01/30/654750130.db2.gz ZZUQEFHWSZDYHN-VXGBXAGGSA-N 1 0 382.555 2.653 20 0 GFADRO Cc1cc(NC(=O)NC2CCN(CC[NH+](C)C)CC2)ccc1Br ZINC000123049662 654751492 /nfs/dbraw/zinc/75/14/92/654751492.db2.gz SEURZOPANXVKCO-UHFFFAOYSA-N 1 0 383.334 2.905 20 0 GFADRO CC[NH+](CC)CCN(Cc1cccs1)C(=O)C(=O)Nc1ncc(C)s1 ZINC000123422727 654755647 /nfs/dbraw/zinc/75/56/47/654755647.db2.gz WANKQMFGMJSKFU-UHFFFAOYSA-N 1 0 380.539 2.822 20 0 GFADRO COCC[NH+]1CCN(CCOc2ccc(Cl)cc2Br)CC1 ZINC000054187777 654758098 /nfs/dbraw/zinc/75/80/98/654758098.db2.gz IYEZTQDPLPZNLO-UHFFFAOYSA-N 1 0 377.710 2.745 20 0 GFADRO C[C@H](CNS(=O)(=O)c1cc(Br)cnc1Cl)C[NH+]1CCCC1 ZINC000055265090 654772789 /nfs/dbraw/zinc/77/27/89/654772789.db2.gz FZXNVAJGPYCVGR-SNVBAGLBSA-N 1 0 396.738 2.508 20 0 GFADRO CC[NH+](CC)[C@H](C)CNC(=O)c1nnn(-c2cccc(Br)c2)c1C ZINC000055326987 654773488 /nfs/dbraw/zinc/77/34/88/654773488.db2.gz JEVVMJHPRZEAQV-GFCCVEGCSA-N 1 0 394.317 2.798 20 0 GFADRO O=C(c1cncc(I)c1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000124343320 654774656 /nfs/dbraw/zinc/77/46/56/654774656.db2.gz USGCJMMBTFDYPT-ZDUSSCGKSA-N 1 0 399.276 2.634 20 0 GFADRO C[C@H]1C[C@@H](N(C)C(=O)CCNC(=O)c2ccc(Br)cc2)CC[N@@H+]1C ZINC000124781119 654781212 /nfs/dbraw/zinc/78/12/12/654781212.db2.gz AWWPXGKSZXLTDO-BBRMVZONSA-N 1 0 396.329 2.510 20 0 GFADRO C[NH+](C)[C@@H](CNS(=O)(=O)c1ccc(CCCl)cc1)Cc1ccccc1 ZINC000055970905 654785744 /nfs/dbraw/zinc/78/57/44/654785744.db2.gz RLDAQKJZVGKVDR-GOSISDBHSA-N 1 0 380.941 2.919 20 0 GFADRO CCN1CC[NH+](C[C@H](C)CNC(=O)c2cc(C)cc(Br)c2)CC1 ZINC000125292289 654790352 /nfs/dbraw/zinc/79/03/52/654790352.db2.gz MOXLCZPWDBTCCJ-OAHLLOKOSA-N 1 0 382.346 2.761 20 0 GFADRO CCCN(CC[NH+]1CCCC1)C(=O)c1c(Br)nc2n1CCCC2 ZINC000837630621 661008690 /nfs/dbraw/zinc/00/86/90/661008690.db2.gz RNDKKJBWAILIRM-UHFFFAOYSA-N 1 0 383.334 2.930 20 0 GFADRO C[NH+]1CCN(c2ccc(NC(=O)c3ccnc(Br)c3)cc2)CC1 ZINC000125438302 654794552 /nfs/dbraw/zinc/79/45/52/654794552.db2.gz OKDXPPLKAVEQOC-UHFFFAOYSA-N 1 0 375.270 2.848 20 0 GFADRO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]C[C@@]1(CCO)CCOC1 ZINC000125464299 654795361 /nfs/dbraw/zinc/79/53/61/654795361.db2.gz QAEYNLBMUAGUPN-CXAGYDPISA-N 1 0 385.302 2.545 20 0 GFADRO CNC(=O)c1cccc(C[N@H+](C)[C@H](CO)c2cccc(Br)c2)c1 ZINC000125789969 654802127 /nfs/dbraw/zinc/80/21/27/654802127.db2.gz UPVCVSQQLQWWJM-QGZVFWFLSA-N 1 0 377.282 2.974 20 0 GFADRO O=S(=O)(c1ccc(F)cc1Br)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000060113200 654826593 /nfs/dbraw/zinc/82/65/93/654826593.db2.gz UYQAYFLEGYJPEY-CYBMUJFWSA-N 1 0 391.306 2.837 20 0 GFADRO Cc1ncc(C(=O)N[C@@H](CC(C)C)C(=O)NCC[NH+](C)C)c(Cl)c1Cl ZINC000127900988 654837037 /nfs/dbraw/zinc/83/70/37/654837037.db2.gz ADBGXWUAQYTVBW-ZDUSSCGKSA-N 1 0 389.327 2.519 20 0 GFADRO O=C(c1cccc(I)c1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000127919877 654837324 /nfs/dbraw/zinc/83/73/24/654837324.db2.gz CVHMORGNKPMRRC-ZDUSSCGKSA-N 1 0 384.261 2.849 20 0 GFADRO CSCC[C@H]1NC(=S)N(C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1=O ZINC000062427279 654845745 /nfs/dbraw/zinc/84/57/45/654845745.db2.gz JHVJOUMOGYKBIF-IAGOWNOFSA-N 1 0 377.579 2.737 20 0 GFADRO CC[NH+](CC)C[C@@H](C)NC(=O)N(C)C[C@H](O)c1ccccc1Br ZINC000837907306 661019603 /nfs/dbraw/zinc/01/96/03/661019603.db2.gz MRDJRXVVZOOESV-CJNGLKHVSA-N 1 0 386.334 2.854 20 0 GFADRO O=S(=O)(c1sccc1Br)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000063199397 654850596 /nfs/dbraw/zinc/85/05/96/654850596.db2.gz GXAHVNHSKUECEV-LBPRGKRZSA-N 1 0 379.345 2.663 20 0 GFADRO CCC(CC)C[N@H+](CC)CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl ZINC000129032339 654854596 /nfs/dbraw/zinc/85/45/96/654854596.db2.gz ZHQXXHWDYVRYGJ-UHFFFAOYSA-N 1 0 375.922 2.684 20 0 GFADRO CC(=O)N(c1nn(CN2CCC[C@H]3C[N@H+](C)CC[C@@H]32)c(=S)s1)C1CC1 ZINC000129216111 654860672 /nfs/dbraw/zinc/86/06/72/654860672.db2.gz JCAQNGDCMWWUJC-ZFWWWQNUSA-N 1 0 381.571 2.563 20 0 GFADRO O=S(=O)(c1cccc(Cl)c1F)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000064345217 654866619 /nfs/dbraw/zinc/86/66/19/654866619.db2.gz QWPLDMXAGIXGCX-UHFFFAOYSA-N 1 0 390.908 2.602 20 0 GFADRO O=C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1(c2ccc(Br)cc2)CCOCC1 ZINC000129652700 654870537 /nfs/dbraw/zinc/87/05/37/654870537.db2.gz LFMJUKFXWSJANE-SJPCQFCGSA-N 1 0 393.325 2.897 20 0 GFADRO O=C(NC[C@@H]1CCC[NH2+]C1)[C@@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl ZINC000129760318 654872107 /nfs/dbraw/zinc/87/21/07/654872107.db2.gz VJBFOKBWGIVYDV-WBMJQRKESA-N 1 0 384.307 2.714 20 0 GFADRO O=C(Cc1ccccc1I)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000129853660 654875090 /nfs/dbraw/zinc/87/50/90/654875090.db2.gz IVMFFEZDGAKSSZ-CQSZACIVSA-N 1 0 398.288 2.967 20 0 GFADRO CC[NH+]1CCN(CCC(=O)NC2(c3cccc(Br)c3)CC2)CC1 ZINC000129921906 654877679 /nfs/dbraw/zinc/87/76/79/654877679.db2.gz FCUSHKHRBSJENZ-UHFFFAOYSA-N 1 0 380.330 2.582 20 0 GFADRO CC[NH+](CC)CCSCC(=O)NCCc1nc(-c2ccccn2)cs1 ZINC000266782435 654893702 /nfs/dbraw/zinc/89/37/02/654893702.db2.gz WBBJYBGGRLMDKN-UHFFFAOYSA-N 1 0 378.567 2.939 20 0 GFADRO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(Cc2ccc(Br)c(F)c2)CC1 ZINC000131221866 654899327 /nfs/dbraw/zinc/89/93/27/654899327.db2.gz JDIDCOIALMIQNR-MRXNPFEDSA-N 1 0 384.293 2.502 20 0 GFADRO C[NH+](C)CCC(=O)Nc1ccc(NC(=O)CSCc2cscn2)cc1 ZINC000131239324 654900403 /nfs/dbraw/zinc/90/04/03/654900403.db2.gz ZFADFKIEJYGEAW-UHFFFAOYSA-N 1 0 378.523 2.905 20 0 GFADRO CC[NH+]1CCC(CNC(=O)N(C)C[C@@H](O)c2ccccc2Br)CC1 ZINC000838155682 661030864 /nfs/dbraw/zinc/03/08/64/661030864.db2.gz HDLCJGOSCJJDJR-QGZVFWFLSA-N 1 0 398.345 2.856 20 0 GFADRO CCCC(=O)N1CSC[C@@H]1C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000066602462 654908996 /nfs/dbraw/zinc/90/89/96/654908996.db2.gz HRXXWRVCXIJAIP-LSDHHAIUSA-N 1 0 381.567 2.703 20 0 GFADRO O=C(Cc1ccc(Br)c(F)c1)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000131629883 654911810 /nfs/dbraw/zinc/91/18/10/654911810.db2.gz DXUQUTQKXDEZNV-OAHLLOKOSA-N 1 0 399.304 2.702 20 0 GFADRO CC(=O)Nc1ccc(S(=O)(=O)NC[C@H](C)C[NH+]2CCCCC2)cc1Cl ZINC000267157448 654914110 /nfs/dbraw/zinc/91/41/10/654914110.db2.gz FYEPDCHPAKPYFE-ZDUSSCGKSA-N 1 0 387.933 2.699 20 0 GFADRO [NH3+]Cc1ccc(NC(=O)c2sccc2S(=O)(=O)N2CCCCC2)cc1 ZINC000131707230 654914730 /nfs/dbraw/zinc/91/47/30/654914730.db2.gz NWIRDQYTVNJNJT-UHFFFAOYSA-N 1 0 379.507 2.634 20 0 GFADRO CCOc1cc(C[NH2+]C[C@@H]2CCCS2(=O)=O)ccc1OCC(F)(F)F ZINC000131725980 654915364 /nfs/dbraw/zinc/91/53/64/654915364.db2.gz MOBIIPVMCJQZOJ-ZDUSSCGKSA-N 1 0 381.416 2.693 20 0 GFADRO COc1ccc(NC(=O)N2CC[NH+](C3CCOCC3)CC2)cc1Br ZINC000267236731 654919524 /nfs/dbraw/zinc/91/95/24/654919524.db2.gz WXIUQWVJGYIPKL-UHFFFAOYSA-N 1 0 398.301 2.786 20 0 GFADRO O=S(=O)(/C=C/c1cccc(Br)c1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000066918513 654921454 /nfs/dbraw/zinc/92/14/54/654921454.db2.gz FAWXGDNFIBZUHP-BPLPYTOXSA-N 1 0 385.327 2.920 20 0 GFADRO CCN(Cc1ccc(C[NH+](C)C)cc1)S(=O)(=O)c1c(C)nn(C)c1Cl ZINC000066935343 654922270 /nfs/dbraw/zinc/92/22/70/654922270.db2.gz OCETYIHIHTUKGB-UHFFFAOYSA-N 1 0 384.933 2.654 20 0 GFADRO O=C(c1cccc(I)c1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000066946011 654923213 /nfs/dbraw/zinc/92/32/13/654923213.db2.gz KLNIZZZDPJPGFH-HNNXBMFYSA-N 1 0 384.261 2.992 20 0 GFADRO COc1cc(C[NH2+]Cc2cc(C(N)=O)cs2)cc(Br)c1OC ZINC000132246511 654930422 /nfs/dbraw/zinc/93/04/22/654930422.db2.gz NMWPKRMIKBIFKI-UHFFFAOYSA-N 1 0 385.283 2.917 20 0 GFADRO Cc1ccc(C(=O)N(CC[NH+](C)C)Cc2ccccn2)c(Br)n1 ZINC000132264088 654931131 /nfs/dbraw/zinc/93/11/31/654931131.db2.gz YAQGBYPIVQPRNR-UHFFFAOYSA-N 1 0 377.286 2.752 20 0 GFADRO Cc1ccc(C[NH2+]Cc2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)s1 ZINC000067500257 654939712 /nfs/dbraw/zinc/93/97/12/654939712.db2.gz YTVCGULGLLGNGX-MRXNPFEDSA-N 1 0 380.535 2.804 20 0 GFADRO O=C(NCC1([NH+]2CCSCC2)CCCC1)Nc1nnc(C(F)F)s1 ZINC000067586697 654941154 /nfs/dbraw/zinc/94/11/54/654941154.db2.gz LPHANMVLDWFEKI-UHFFFAOYSA-N 1 0 377.486 2.959 20 0 GFADRO CCN(CCC[NH2+][C@H]1CCCc2ncc(C(F)(F)F)cc21)S(C)(=O)=O ZINC000132601001 654943344 /nfs/dbraw/zinc/94/33/44/654943344.db2.gz BSOXETZPQLLMQW-AWEZNQCLSA-N 1 0 379.448 2.739 20 0 GFADRO CC(C)OCC[NH+]1CCC(NS(=O)(=O)c2c(F)cccc2Cl)CC1 ZINC000132958262 654949984 /nfs/dbraw/zinc/94/99/84/654949984.db2.gz OPDWPWORXLKJAA-UHFFFAOYSA-N 1 0 378.897 2.647 20 0 GFADRO C[NH+]1CCN(C[C@@H](NC(=O)c2coc(Br)c2)c2ccccc2)CC1 ZINC000068024144 654951569 /nfs/dbraw/zinc/95/15/69/654951569.db2.gz RRKZZYFKGSXAEN-MRXNPFEDSA-N 1 0 392.297 2.761 20 0 GFADRO C[NH2+][C@H]1CCCN(C(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CCCC2)C1 ZINC000133022970 654952297 /nfs/dbraw/zinc/95/22/97/654952297.db2.gz JEVYPNLURACAPY-HNNXBMFYSA-N 1 0 384.929 2.637 20 0 GFADRO CC[NH+]1CCN(CCCNC(=O)CCOc2ccc(Cl)c(Cl)c2)CC1 ZINC000068117041 654955124 /nfs/dbraw/zinc/95/51/24/654955124.db2.gz BFNUYENIIGXVPH-UHFFFAOYSA-N 1 0 388.339 2.906 20 0 GFADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)Nc1cc(C)ccc1Br ZINC000133311183 654960306 /nfs/dbraw/zinc/96/03/06/654960306.db2.gz VVYXUIRYPJKDJZ-KGLIPLIRSA-N 1 0 394.313 2.781 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)[C@]12CCC(=O)N1c1cc(Cl)ccc1S2)C1CC1 ZINC000068378775 654961018 /nfs/dbraw/zinc/96/10/18/654961018.db2.gz KSMQFLHRDXXIHN-RDTXWAMCSA-N 1 0 379.913 2.725 20 0 GFADRO CC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2ccc(Br)cc2C)C1 ZINC000133400027 654963294 /nfs/dbraw/zinc/96/32/94/654963294.db2.gz UNXYQBKLZYRZSJ-ZDUSSCGKSA-N 1 0 375.332 2.720 20 0 GFADRO C[NH+](C)C1CCN(CCNC(=O)c2cc(Cl)cc(Br)c2)CC1 ZINC000133412995 654963770 /nfs/dbraw/zinc/96/37/70/654963770.db2.gz ATWKNOFCWVPXAT-UHFFFAOYSA-N 1 0 388.737 2.858 20 0 GFADRO C[NH+](C)C[C@@H]1CCN(C(=O)c2ccc(S(=O)(=O)c3ccccc3)s2)C1 ZINC000133563972 654967599 /nfs/dbraw/zinc/96/75/99/654967599.db2.gz JBNCUEXFRUBPAT-AWEZNQCLSA-N 1 0 378.519 2.605 20 0 GFADRO C[N@@H+]1CCCC[C@@H]1CCOC(=O)Cc1ccccc1S(=O)(=O)C(F)F ZINC000838300982 661038489 /nfs/dbraw/zinc/03/84/89/661038489.db2.gz ZEHMVQUNNBWOOI-CQSZACIVSA-N 1 0 375.437 2.643 20 0 GFADRO CCO[C@H]1C[C@@]([NH3+])(C(=O)Nc2cccc(I)c2)C1(C)C ZINC000133889564 654976469 /nfs/dbraw/zinc/97/64/69/654976469.db2.gz SAJGEQYARIJSCS-SWLSCSKDSA-N 1 0 388.249 2.762 20 0 GFADRO O=C(NCCCC[N@H+]1CCC[C@@H]1CO)c1cc2c(cccc2Br)[nH]1 ZINC000134091123 654982616 /nfs/dbraw/zinc/98/26/16/654982616.db2.gz LBLTYCCGTZEJQK-CYBMUJFWSA-N 1 0 394.313 2.897 20 0 GFADRO C[N@@H+](Cc1cc(Br)ccc1F)C[C@H](O)COC[C@@H]1CCCO1 ZINC000069518796 654982803 /nfs/dbraw/zinc/98/28/03/654982803.db2.gz FIYCCHXUZVWTQP-GJZGRUSLSA-N 1 0 376.266 2.577 20 0 GFADRO CC(C)C(=O)N1CCC[N@H+](C[C@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000069609046 654984127 /nfs/dbraw/zinc/98/41/27/654984127.db2.gz JITOMXNFEBQCNT-AWEZNQCLSA-N 1 0 389.323 2.923 20 0 GFADRO C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCCN2C(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000134140537 654984306 /nfs/dbraw/zinc/98/43/06/654984306.db2.gz SKRIINYLWIHWBX-BBRMVZONSA-N 1 0 384.307 2.808 20 0 GFADRO Cc1ccc(I)cc1C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000134136289 654984311 /nfs/dbraw/zinc/98/43/11/654984311.db2.gz JGTKYSKLDYZQMS-LBPRGKRZSA-N 1 0 384.261 2.814 20 0 GFADRO OC1CC[NH+](Cc2ccccc2CNc2ncncc2Br)CC1 ZINC000268784123 654986664 /nfs/dbraw/zinc/98/66/64/654986664.db2.gz DGZZJLCZJXOLCL-UHFFFAOYSA-N 1 0 377.286 2.808 20 0 GFADRO O=C(CN1CCC[C@H](C[NH+]2CCOCC2)C1)Nc1cc(Cl)ccc1Cl ZINC000069856035 654987403 /nfs/dbraw/zinc/98/74/03/654987403.db2.gz JNNWOSWICXJBAJ-CQSZACIVSA-N 1 0 386.323 2.976 20 0 GFADRO C[C@H]([NH2+]CCNC(=O)OC(C)(C)C)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000268838419 654988615 /nfs/dbraw/zinc/98/86/15/654988615.db2.gz VBLBITWRXUDASP-NSHDSACASA-N 1 0 378.441 2.858 20 0 GFADRO C[C@@H]([NH2+]C[C@@]1(N(C)C)CCSC1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000268912711 654990823 /nfs/dbraw/zinc/99/08/23/654990823.db2.gz IBYQAGZLCOKBCB-WBMJQRKESA-N 1 0 378.510 2.771 20 0 GFADRO O=C(Nc1nc(C(F)(F)F)cs1)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000268941940 654992125 /nfs/dbraw/zinc/99/21/25/654992125.db2.gz GBGMLFZQTLYEAX-GHMZBOCLSA-N 1 0 378.420 2.661 20 0 GFADRO O=C(NCc1ccc2c(c1)C[NH2+]C2)c1ccccc1I ZINC000134529294 654995486 /nfs/dbraw/zinc/99/54/86/654995486.db2.gz PXUIDGPSTHEZSH-UHFFFAOYSA-N 1 0 378.213 2.824 20 0 GFADRO O=C(NCc1ccc(O)c(Br)c1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000269026549 654995541 /nfs/dbraw/zinc/99/55/41/654995541.db2.gz KLNYIUYMVYMSNG-AWEZNQCLSA-N 1 0 382.302 2.925 20 0 GFADRO C[C@@H]([NH2+][C@@H]1CCCN(S(C)(=O)=O)C1)c1ccc(OCC(F)(F)F)cc1 ZINC000269033242 654995838 /nfs/dbraw/zinc/99/58/38/654995838.db2.gz SCZPBSARPBTSBZ-TZMCWYRMSA-N 1 0 380.432 2.702 20 0 GFADRO O=C(Nc1ccc(Br)c(I)c1)[C@H]1CCC[NH2+]1 ZINC000070845644 654996034 /nfs/dbraw/zinc/99/60/34/654996034.db2.gz CKXRCAOALCVUPP-SNVBAGLBSA-N 1 0 395.038 2.744 20 0 GFADRO C[NH2+]C[C@@H]1CCCN(C(=O)c2cc(F)ccc2I)C1 ZINC000269110715 654998148 /nfs/dbraw/zinc/99/81/48/654998148.db2.gz OEWYZGQGZOCHSG-JTQLQIEISA-N 1 0 376.213 2.502 20 0 GFADRO C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)c(Cl)c3)C2)C1 ZINC000269124383 654998652 /nfs/dbraw/zinc/99/86/52/654998652.db2.gz LHCCKAWQODWFFQ-ZIAGYGMSSA-N 1 0 384.307 2.666 20 0 GFADRO C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)c(Cl)c3)C2)C1 ZINC000269124380 654998703 /nfs/dbraw/zinc/99/87/03/654998703.db2.gz LHCCKAWQODWFFQ-KGLIPLIRSA-N 1 0 384.307 2.666 20 0 GFADRO CCCC[C@@H](C[NH3+])NC(=O)[C@H](C)Sc1ccccc1S(=O)(=O)CCC ZINC000269187854 655001206 /nfs/dbraw/zinc/00/12/06/655001206.db2.gz HDVWADIEHMCPMR-GJZGRUSLSA-N 1 0 386.583 2.985 20 0 GFADRO CCCc1c(C(=O)NCC(C)(C)[NH3+])nnn1Cc1cccc(Br)c1 ZINC000269201677 655001370 /nfs/dbraw/zinc/00/13/70/655001370.db2.gz ZRSTYIVWDBGJNA-UHFFFAOYSA-N 1 0 394.317 2.509 20 0 GFADRO C[C@H](NC(=O)c1cc(F)ccc1I)[C@H]1CCC[NH2+]C1 ZINC000269209362 655001634 /nfs/dbraw/zinc/00/16/34/655001634.db2.gz OYSJKOXPMZAHFJ-UWVGGRQHSA-N 1 0 376.213 2.548 20 0 GFADRO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000269221381 655002058 /nfs/dbraw/zinc/00/20/58/655002058.db2.gz SJIKMZOVUPYPGO-VXGBXAGGSA-N 1 0 393.281 2.982 20 0 GFADRO C[C@H]1CN(C(=O)CCc2nc(-c3cc(Br)cs3)no2)CC[C@H]1[NH3+] ZINC000269244057 655002485 /nfs/dbraw/zinc/00/24/85/655002485.db2.gz YYNAESGWESYQMI-GXSJLCMTSA-N 1 0 399.314 2.689 20 0 GFADRO CC(C)[C@@H]([NH3+])CNC(=O)c1cnn(-c2ncccc2Cl)c1C(F)(F)F ZINC000269236041 655002683 /nfs/dbraw/zinc/00/26/83/655002683.db2.gz BNXYHMMWZDSKGC-NSHDSACASA-N 1 0 375.782 2.653 20 0 GFADRO CCN(C)C(=O)CC[NH+]1CCC(C(=O)Nc2cccc(Br)c2)CC1 ZINC000269309679 655005107 /nfs/dbraw/zinc/00/51/07/655005107.db2.gz HJOITTBXPGAXCG-UHFFFAOYSA-N 1 0 396.329 2.968 20 0 GFADRO Cc1nn(Cc2cccc(Br)c2)c(C)c1C(=O)N1CC([NH+](C)C)C1 ZINC000134900785 655005716 /nfs/dbraw/zinc/00/57/16/655005716.db2.gz SOZDTVKCXYASBH-UHFFFAOYSA-N 1 0 391.313 2.697 20 0 GFADRO C[C@H]1C[C@H](N(C)S(=O)(=O)c2cc(F)ccc2Br)CC[N@@H+]1C ZINC000269341647 655006313 /nfs/dbraw/zinc/00/63/13/655006313.db2.gz GKOGDNIMFGQNDD-CMPLNLGQSA-N 1 0 379.295 2.691 20 0 GFADRO O=C(Cc1ccccc1I)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000269390782 655008151 /nfs/dbraw/zinc/00/81/51/655008151.db2.gz RJQOKICMXSGBTK-GJZGRUSLSA-N 1 0 384.261 2.577 20 0 GFADRO CN(C)C(=O)Nc1ccc(C(=O)NC[C@]2([NH+](C)C)CCSC2)c(Cl)c1 ZINC000269399676 655008427 /nfs/dbraw/zinc/00/84/27/655008427.db2.gz DUTUYYWUDBDLIW-QGZVFWFLSA-N 1 0 384.933 2.601 20 0 GFADRO C[NH+](C)[C@@H]1CCN(c2ccc(NC(=O)c3ccc(Br)cn3)nc2)C1 ZINC000269435758 655009460 /nfs/dbraw/zinc/00/94/60/655009460.db2.gz PPMZTKOMEXHCOB-CQSZACIVSA-N 1 0 390.285 2.632 20 0 GFADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CSCc2csc(C3CC3)n2)C1 ZINC000135390746 655015403 /nfs/dbraw/zinc/01/54/03/655015403.db2.gz QUZLMUCATRCTQP-INIZCTEOSA-N 1 0 383.583 2.727 20 0 GFADRO COc1cc(Br)cc(C[N@@H+]2CCC[C@H](N3CCCC3=O)C2)c1O ZINC000093277495 655017982 /nfs/dbraw/zinc/01/79/82/655017982.db2.gz XYPVTAIZHRDYBF-AWEZNQCLSA-N 1 0 383.286 2.750 20 0 GFADRO CN1CCC(CNC(=O)c2cccnc2Br)([NH+]2CCCCC2)CC1 ZINC000135916137 655025264 /nfs/dbraw/zinc/02/52/64/655025264.db2.gz LPQTUVMHBSVRLH-UHFFFAOYSA-N 1 0 395.345 2.524 20 0 GFADRO CN(CC[NH2+]Cc1cn(C)nc1-c1cccs1)S(=O)(=O)c1cccs1 ZINC000093968787 655025377 /nfs/dbraw/zinc/02/53/77/655025377.db2.gz QUMOOSVXRNAHBN-UHFFFAOYSA-N 1 0 396.563 2.620 20 0 GFADRO CCN(CCC[NH2+]Cc1cc(Br)ccc1Cl)S(C)(=O)=O ZINC000135934770 655025506 /nfs/dbraw/zinc/02/55/06/655025506.db2.gz YIRMVRUXNZATLY-UHFFFAOYSA-N 1 0 383.739 2.864 20 0 GFADRO COc1cccc([C@@H](CNC(=O)c2cccc(Br)n2)[NH+](C)C)c1 ZINC000136165838 655028341 /nfs/dbraw/zinc/02/83/41/655028341.db2.gz AIZQQQGFDWASSE-OAHLLOKOSA-N 1 0 378.270 2.885 20 0 GFADRO OC[C@H](C[C@@H](O)c1ccccc1)[NH2+]Cc1cc2c(c(Br)c1)OCO2 ZINC000269968573 655029272 /nfs/dbraw/zinc/02/92/72/655029272.db2.gz WVLISEMXUQPTHM-GOEBONIOSA-N 1 0 394.265 2.752 20 0 GFADRO COCC[NH+]1CCC(NCc2cn(-c3cccc(Cl)c3Cl)nn2)CC1 ZINC000269971301 655029443 /nfs/dbraw/zinc/02/94/43/655029443.db2.gz LCANGJARWJRDSW-UHFFFAOYSA-N 1 0 384.311 2.775 20 0 GFADRO CN(CC[NH+](C)C)C(=O)Nc1ccc(Cl)cc1I ZINC000136475005 655031893 /nfs/dbraw/zinc/03/18/93/655031893.db2.gz ZQFUATFQYKTMRJ-UHFFFAOYSA-N 1 0 381.645 2.970 20 0 GFADRO CC1CC[NH+](CCCCNC(=O)Nc2cc(Br)c(=O)n(C)c2)CC1 ZINC000136652918 655034346 /nfs/dbraw/zinc/03/43/46/655034346.db2.gz NVHGXAVTPFWFTP-UHFFFAOYSA-N 1 0 399.333 2.781 20 0 GFADRO O=C(Cc1ccc(Br)s1)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000136916896 655036823 /nfs/dbraw/zinc/03/68/23/655036823.db2.gz ABPBOBDRBYEDHZ-LBPRGKRZSA-N 1 0 387.343 2.670 20 0 GFADRO C[NH+]1CCC([C@@H]2CCN(C(=O)C(=O)Nc3ccc(Br)cc3)C2)CC1 ZINC000270230098 655038104 /nfs/dbraw/zinc/03/81/04/655038104.db2.gz MAQIIMZPXZRAFB-CQSZACIVSA-N 1 0 394.313 2.578 20 0 GFADRO Cc1cc(S(=O)(=O)NCc2ccc3c(c2)C[NH2+]C3)sc1Br ZINC000097829581 655038133 /nfs/dbraw/zinc/03/81/33/655038133.db2.gz SLJKCXYESULBDS-UHFFFAOYSA-N 1 0 387.324 2.901 20 0 GFADRO Cc1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1C(=O)Nc1ccsc1 ZINC000137543215 655040766 /nfs/dbraw/zinc/04/07/66/655040766.db2.gz ZJFBFIZUUVSLAQ-UHFFFAOYSA-N 1 0 381.523 2.539 20 0 GFADRO C[N@H+](CCCO)C1CCN(C(=O)CCOc2ccccc2Br)CC1 ZINC000270343867 655041480 /nfs/dbraw/zinc/04/14/80/655041480.db2.gz CXAZCORZBQQYJI-UHFFFAOYSA-N 1 0 399.329 2.523 20 0 GFADRO O=S(=O)(Cc1ccc(Cl)nc1)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000101568955 655044047 /nfs/dbraw/zinc/04/40/47/655044047.db2.gz GMZPLEAHPSMNJW-QGZVFWFLSA-N 1 0 379.913 2.992 20 0 GFADRO C=CCN1C(=S)N=NC1c1sc(NC(=O)[C@@H]2CCCC[C@@H]2[NH3+])nc1C ZINC000150896436 655047120 /nfs/dbraw/zinc/04/71/20/655047120.db2.gz XVQHRSBSKPYBEG-MNOVXSKESA-N 1 0 378.527 2.641 20 0 GFADRO CCCCn1nc(C)c(C[NH2+]C2CCN(S(=O)(=O)C3CC3)CC2)c1Cl ZINC000151275466 655049688 /nfs/dbraw/zinc/04/96/88/655049688.db2.gz MQGQQDPZMNXANP-UHFFFAOYSA-N 1 0 388.965 2.691 20 0 GFADRO CC[N@H+](CCNC(=O)CSc1nncn1-c1cccc(Cl)c1)C(C)C ZINC000102495995 655055649 /nfs/dbraw/zinc/05/56/49/655055649.db2.gz FXTCDBRBAOAPHE-UHFFFAOYSA-N 1 0 381.933 2.859 20 0 GFADRO CC(=O)N(c1nn(CN2CCC(n3ccnc3)CC2)c(=S)s1)C1CC1 ZINC000152075552 655056467 /nfs/dbraw/zinc/05/64/67/655056467.db2.gz FRNCVQBJFFXCHC-UHFFFAOYSA-N 1 0 378.527 2.680 20 0 GFADRO [NH2+]=C(NCCCNC(=O)c1cccc(Br)c1)NC1CCCCC1 ZINC000104184495 655079154 /nfs/dbraw/zinc/07/91/54/655079154.db2.gz DSAJVOPJZBPINH-UHFFFAOYSA-N 1 0 381.318 2.806 20 0 GFADRO CNS(=O)(=O)c1cccc([C@H](C)[NH2+]C[C@H](O)c2c(F)cccc2Cl)c1 ZINC000271453642 655081910 /nfs/dbraw/zinc/08/19/10/655081910.db2.gz GFIXNYTZBPPPSA-ZBEGNZNMSA-N 1 0 386.876 2.771 20 0 GFADRO C[N@@H+](Cc1cc(=O)[nH]c(C2CC2)n1)C[C@H](O)c1ccccc1Br ZINC000839029753 661069144 /nfs/dbraw/zinc/06/91/44/661069144.db2.gz PXELXGYHPLAGJN-HNNXBMFYSA-N 1 0 378.270 2.988 20 0 GFADRO O=C1CCCN1C1CC[NH+](C[C@@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000104730790 655084636 /nfs/dbraw/zinc/08/46/36/655084636.db2.gz PBIVOKGLWZNVJL-OAHLLOKOSA-N 1 0 387.307 2.820 20 0 GFADRO CC[N@@H+]1CCCN(C(=O)Nc2ccc(F)cc2I)CC1 ZINC000271571497 655086120 /nfs/dbraw/zinc/08/61/20/655086120.db2.gz SSMJORDFLRBYEV-UHFFFAOYSA-N 1 0 391.228 2.990 20 0 GFADRO CCCOc1c(Cl)cc(C[NH2+]CCN2CCCS2(=O)=O)cc1OCC ZINC000105474079 655093578 /nfs/dbraw/zinc/09/35/78/655093578.db2.gz ZLIMBYZXHYOSBE-UHFFFAOYSA-N 1 0 390.933 2.653 20 0 GFADRO C[C@H](CNC(=O)NCC1=CC[N@H+](C)CC1)Oc1ccccc1Br ZINC000271865237 655097333 /nfs/dbraw/zinc/09/73/33/655097333.db2.gz JBQHKWAWPGVXDY-CYBMUJFWSA-N 1 0 382.302 2.778 20 0 GFADRO CC[NH+](CC)CCN(CCOC)C(=O)C(=O)Nc1cccc(Cl)c1Cl ZINC000105730175 655098340 /nfs/dbraw/zinc/09/83/40/655098340.db2.gz NNOFZBKWQCAWGP-UHFFFAOYSA-N 1 0 390.311 2.749 20 0 GFADRO CC(C)C[C@@](C)(C[NH3+])NC(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000157382498 655100584 /nfs/dbraw/zinc/10/05/84/655100584.db2.gz ZKHAFQDHIVRKRW-UGSOOPFHSA-N 1 0 396.329 2.682 20 0 GFADRO C[N@H+]1CC=C(CNC(=O)Nc2ccc(F)cc2I)CC1 ZINC000272070393 655101792 /nfs/dbraw/zinc/10/17/92/655101792.db2.gz UMDVVMHQAXJGNL-UHFFFAOYSA-N 1 0 389.212 2.814 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)[C@H]1CSCN1C(=O)CC(C)(C)C)c1cccs1 ZINC000106355194 655106883 /nfs/dbraw/zinc/10/68/83/655106883.db2.gz XXBVUTTYASQJMU-UONOGXRCSA-N 1 0 383.583 2.805 20 0 GFADRO CCN1CC[NH+](CCCCNC(=O)Cc2ccc(Br)cc2C)CC1 ZINC000272293540 655108256 /nfs/dbraw/zinc/10/82/56/655108256.db2.gz JZXVEMYNUSITET-UHFFFAOYSA-N 1 0 396.373 2.834 20 0 GFADRO C[C@H](CNC(=O)c1ccn(-c2cccc(Br)c2)n1)[N@H+](C)C1CC1 ZINC000106769843 655111074 /nfs/dbraw/zinc/11/10/74/655111074.db2.gz RRXVOFNVUHEJMV-GFCCVEGCSA-N 1 0 377.286 2.847 20 0 GFADRO COC(=O)c1cc(NC(=O)N2CC[C@@H]3CC[N@H+](C)C[C@H]32)ccc1Br ZINC000272436939 655112652 /nfs/dbraw/zinc/11/26/52/655112652.db2.gz OAANNCUOVRHBRS-XHDPSFHLSA-N 1 0 396.285 2.794 20 0 GFADRO O=S(=O)(N[C@@H]1CC[N@@H+](C2CCCC2)C1)c1sccc1Br ZINC000106891736 655113049 /nfs/dbraw/zinc/11/30/49/655113049.db2.gz UMHZOESCASJTPK-SNVBAGLBSA-N 1 0 379.345 2.806 20 0 GFADRO COc1cc(C(=O)N2CC[C@H]3CC[N@H+](C)C[C@H]32)cc(OC)c1Br ZINC000272461101 655113651 /nfs/dbraw/zinc/11/36/51/655113651.db2.gz KICSVUBWTJZHLP-DGCLKSJQSA-N 1 0 383.286 2.633 20 0 GFADRO C[N@@H+]1CC[C@H]2CCN(C(=O)c3cc(I)ccc3F)[C@@H]2C1 ZINC000272508601 655115142 /nfs/dbraw/zinc/11/51/42/655115142.db2.gz OPJGQIKSTFKWCG-IINYFYTJSA-N 1 0 388.224 2.597 20 0 GFADRO C[C@H](NC(=O)Cc1cccc(I)c1)C1=CC[N@H+](C)CC1 ZINC000272670199 655118574 /nfs/dbraw/zinc/11/85/74/655118574.db2.gz ITKHZBCNPYFPRD-LBPRGKRZSA-N 1 0 384.261 2.600 20 0 GFADRO CCC[NH+]1CCC(NC(=O)NCc2cc3c(c(Br)c2)OCO3)CC1 ZINC000107328302 655119726 /nfs/dbraw/zinc/11/97/26/655119726.db2.gz HIDZKWDKUHBXHY-UHFFFAOYSA-N 1 0 398.301 2.851 20 0 GFADRO COc1ccc(C[NH2+][C@@H](C)c2cccc(S(N)(=O)=O)c2)cc1Br ZINC000272708218 655119704 /nfs/dbraw/zinc/11/97/04/655119704.db2.gz UUXCONNMTZONQO-NSHDSACASA-N 1 0 399.310 2.956 20 0 GFADRO C[N@H+](CCNC(=O)c1csc(I)c1)C1CCCC1 ZINC000107595454 655122624 /nfs/dbraw/zinc/12/26/24/655122624.db2.gz OIQZPDKHERAXGS-UHFFFAOYSA-N 1 0 378.279 2.957 20 0 GFADRO CC(C)Cc1nnc(NC(=O)C[NH2+][C@H](C)c2ccc([S@](C)=O)cc2)s1 ZINC000272903313 655124645 /nfs/dbraw/zinc/12/46/45/655124645.db2.gz GNXSGOBMCZMSBG-YDBLSZJJSA-N 1 0 380.539 2.763 20 0 GFADRO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000161450729 655127343 /nfs/dbraw/zinc/12/73/43/655127343.db2.gz OQMOTXPTUKZNHV-RYUDHWBXSA-N 1 0 379.254 2.864 20 0 GFADRO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000161450941 655127388 /nfs/dbraw/zinc/12/73/88/655127388.db2.gz OQMOTXPTUKZNHV-NEPJUHHUSA-N 1 0 379.254 2.864 20 0 GFADRO COCC[N@@H+]1CCCN(C(=O)CCc2cc(F)ccc2Br)CC1 ZINC000273140904 655132134 /nfs/dbraw/zinc/13/21/34/655132134.db2.gz SWXURTZJSRRHMD-UHFFFAOYSA-N 1 0 387.293 2.702 20 0 GFADRO COC(=O)c1sc(NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)nc1Cl ZINC000273167148 655133491 /nfs/dbraw/zinc/13/34/91/655133491.db2.gz JWYCHXURTVZGBC-ZDUSSCGKSA-N 1 0 381.885 2.762 20 0 GFADRO OC[C@@H]1CCC[N@@H+]1Cc1ccccc1CNc1ncc(Br)cn1 ZINC000273188300 655134487 /nfs/dbraw/zinc/13/44/87/655134487.db2.gz MQDZEPQZQPQJEG-INIZCTEOSA-N 1 0 377.286 2.808 20 0 GFADRO CC[NH+](CC)[C@@H](CNC(=O)c1cnn(C)c1Br)Cc1ccccc1 ZINC000273224515 655135871 /nfs/dbraw/zinc/13/58/71/655135871.db2.gz NNCGHANSFUVNNS-OAHLLOKOSA-N 1 0 393.329 2.866 20 0 GFADRO C[C@@H](C(=O)Nc1cccnc1Cl)N1CC[NH+](CCc2cccs2)CC1 ZINC000108973379 655139966 /nfs/dbraw/zinc/13/99/66/655139966.db2.gz LFBJUXSKPRWQPZ-AWEZNQCLSA-N 1 0 378.929 2.984 20 0 GFADRO C[N@@H+]1CCC[C@@H]1C(=O)NCC1(c2ccc(Br)cc2)CCOCC1 ZINC000109097037 655141986 /nfs/dbraw/zinc/14/19/86/655141986.db2.gz KJMXELNMKUBALA-MRXNPFEDSA-N 1 0 381.314 2.708 20 0 GFADRO Nc1c(Cl)cc(NC(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)cc1Cl ZINC000839467626 661085587 /nfs/dbraw/zinc/08/55/87/661085587.db2.gz WCHPOTIHTVDQGS-LBPRGKRZSA-N 1 0 385.295 2.601 20 0 GFADRO C[NH+]1CCN(c2ccc(NC(=O)c3cc(F)c(Cl)nc3Cl)cn2)CC1 ZINC000170800251 655146345 /nfs/dbraw/zinc/14/63/45/655146345.db2.gz PTRTZAARHSBITL-UHFFFAOYSA-N 1 0 384.242 2.927 20 0 GFADRO CCc1nc(C(=O)NCC[N@H+](C)C2CC2)nn1-c1c(Cl)cccc1Cl ZINC000109767802 655152094 /nfs/dbraw/zinc/15/20/94/655152094.db2.gz MJVHROOFBKWGMP-UHFFFAOYSA-N 1 0 382.295 2.961 20 0 GFADRO COC(=O)CN(C)C(=O)CC[N@@H+]1CCC[C@H]1c1cccc(Br)c1 ZINC000109831994 655153303 /nfs/dbraw/zinc/15/33/03/655153303.db2.gz MPWYJQIMNISNAU-HNNXBMFYSA-N 1 0 383.286 2.608 20 0 GFADRO CC(C)[N@H+](C)CCCNC(=O)C(=O)Nc1ccc(Cl)cc1OC(F)F ZINC000273845860 655160599 /nfs/dbraw/zinc/16/05/99/655160599.db2.gz KMOSCGVECXNOCL-UHFFFAOYSA-N 1 0 377.819 2.726 20 0 GFADRO CCOC(=O)CCCC[NH2+][C@H](CO)c1ccccc1I ZINC000934827943 664925266 /nfs/dbraw/zinc/92/52/66/664925266.db2.gz COPJQWRUMMKDDD-CQSZACIVSA-N 1 0 391.249 2.648 20 0 GFADRO C[C@@H](NC(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1)C(C)(C)C[NH+](C)C ZINC000173054037 655162406 /nfs/dbraw/zinc/16/24/06/655162406.db2.gz RYWFOJXPDKDEBX-LLVKDONJSA-N 1 0 380.432 2.686 20 0 GFADRO COCCC[N@H+](CCCOc1cccc(Cl)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000111233599 655167003 /nfs/dbraw/zinc/16/70/03/655167003.db2.gz ITNJYHSMSPNHBR-MRXNPFEDSA-N 1 0 375.918 2.635 20 0 GFADRO O=C(N[C@H]1CC[N@H+](CC2CCCC2)C1)c1cc(I)c[nH]1 ZINC000173284634 655167449 /nfs/dbraw/zinc/16/74/49/655167449.db2.gz NWNVWOALBCLZSE-ZDUSSCGKSA-N 1 0 387.265 2.614 20 0 GFADRO CS[C@H]1CN(CC(=O)N2CCSc3ccccc32)C[C@@H]1[NH+]1CCCC1 ZINC000274066393 655171502 /nfs/dbraw/zinc/17/15/02/655171502.db2.gz PIVCVEIJUGEIBD-WMZOPIPTSA-N 1 0 377.579 2.637 20 0 GFADRO COCCC[NH+]1CCC(NC(=O)[C@@H](C)Oc2cccc(Br)c2)CC1 ZINC000173440497 655172447 /nfs/dbraw/zinc/17/24/47/655172447.db2.gz XVWLRNBDWWNKPE-CQSZACIVSA-N 1 0 399.329 2.834 20 0 GFADRO CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)Nc2ccc(Br)cc2C)C1 ZINC000173704286 655176776 /nfs/dbraw/zinc/17/67/76/655176776.db2.gz MFAHAJZTJIALJI-AWEZNQCLSA-N 1 0 382.302 2.639 20 0 GFADRO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)Nc2cc(Br)ccc2C)C1 ZINC000173710709 655177071 /nfs/dbraw/zinc/17/70/71/655177071.db2.gz KLTVTQLRMQDHSM-CQSZACIVSA-N 1 0 382.302 2.639 20 0 GFADRO C[C@@H](CCNC(=O)c1cnn(C)c1Br)[N@H+](C)Cc1ccccc1 ZINC000274238870 655181187 /nfs/dbraw/zinc/18/11/87/655181187.db2.gz RBXWXZJWBHEKEB-ZDUSSCGKSA-N 1 0 379.302 2.823 20 0 GFADRO CN(Cc1csc(Br)c1)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000173934946 655186731 /nfs/dbraw/zinc/18/67/31/655186731.db2.gz NQEAGESTIHYPCM-UHFFFAOYSA-N 1 0 386.319 2.933 20 0 GFADRO CC[NH+]1CCN([C@H](C)CNC(=O)CSc2nc3ccccc3s2)CC1 ZINC000112917609 655199819 /nfs/dbraw/zinc/19/98/19/655199819.db2.gz XDGIEICPQGRXJH-CQSZACIVSA-N 1 0 378.567 2.531 20 0 GFADRO Cc1cccn2c(C[NH2+]CCNC(=O)c3cccc(Br)c3)cnc12 ZINC000174388487 655201328 /nfs/dbraw/zinc/20/13/28/655201328.db2.gz IAJDDKXHDMXJFA-UHFFFAOYSA-N 1 0 387.281 2.925 20 0 GFADRO CC(C)[NH+]1CCC(NC(=O)C(=O)Nc2ccc(F)c(Br)c2)CC1 ZINC000174570591 655203917 /nfs/dbraw/zinc/20/39/17/655203917.db2.gz DSTVXKOPWVXUAT-UHFFFAOYSA-N 1 0 386.265 2.516 20 0 GFADRO C[C@@H]1C[C@@H](N(C)C(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)CC[N@@H+]1C ZINC000174582155 655204416 /nfs/dbraw/zinc/20/44/16/655204416.db2.gz LWRKIWLBJBZZGY-YPMHNXCESA-N 1 0 375.441 2.629 20 0 GFADRO COc1nc(C)c(Br)cc1C(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000274995239 655210319 /nfs/dbraw/zinc/21/03/19/655210319.db2.gz MOYJTHXLWMTHDS-AWEZNQCLSA-N 1 0 396.329 2.965 20 0 GFADRO C[C@@H](CNC(=O)c1csc(I)c1)[NH+]1CCCCC1 ZINC000113426038 655210386 /nfs/dbraw/zinc/21/03/86/655210386.db2.gz MOSZQTWQKBPSPO-JTQLQIEISA-N 1 0 378.279 2.957 20 0 GFADRO Cc1nc(SCCC(=O)Nc2ccc(OCC[NH+](C)C)c(Cl)c2)n[nH]1 ZINC000174930835 655210395 /nfs/dbraw/zinc/21/03/95/655210395.db2.gz VGLIFZGJOFMATI-UHFFFAOYSA-N 1 0 383.905 2.828 20 0 GFADRO Cc1nc(C(=O)N2CC[C@@H](C[NH+](C)C)C2)nn1-c1c(Cl)cccc1Cl ZINC000113453520 655210700 /nfs/dbraw/zinc/21/07/00/655210700.db2.gz UKQYCRKMGPLKJN-LBPRGKRZSA-N 1 0 382.295 2.906 20 0 GFADRO CS[C@@H]1CN(C[C@H](O)COCc2ccccc2Cl)C[C@@H]1[NH+]1CCCC1 ZINC000275038511 655213241 /nfs/dbraw/zinc/21/32/41/655213241.db2.gz GPTSNWIOYHXCHC-YTQUADARSA-N 1 0 384.973 2.729 20 0 GFADRO COc1ccc(Br)c(S(=O)(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000175305840 655219429 /nfs/dbraw/zinc/21/94/29/655219429.db2.gz PMCDUOUHYQACBQ-RYUDHWBXSA-N 1 0 391.331 2.561 20 0 GFADRO C[NH2+]C(C)(C)CNC(=O)Nc1ccnn1Cc1ccccc1Br ZINC000275175035 655221141 /nfs/dbraw/zinc/22/11/41/655221141.db2.gz BZCBSYRHHKSUFS-UHFFFAOYSA-N 1 0 380.290 2.813 20 0 GFADRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc(I)c1)c1cn[nH]c1 ZINC000275181319 655221519 /nfs/dbraw/zinc/22/15/19/655221519.db2.gz NCAHPBFYWMNFQF-ZJUUUORDSA-N 1 0 384.221 2.692 20 0 GFADRO CN(C)CC[NH+]1CCC(CNC(=O)CSCc2ccc(Cl)cc2)CC1 ZINC000114382153 655222975 /nfs/dbraw/zinc/22/29/75/655222975.db2.gz XOOHPYRARRTTDG-UHFFFAOYSA-N 1 0 383.989 2.963 20 0 GFADRO C[NH+]1CCN([C@H]2CCCCN(C(=O)c3ccc(Br)c(F)c3)C2)CC1 ZINC000175987620 655231427 /nfs/dbraw/zinc/23/14/27/655231427.db2.gz ZIQILTKTYKLJOW-HNNXBMFYSA-N 1 0 398.320 2.830 20 0 GFADRO C[C@@H]([NH2+]CCCNc1ccc(C(F)(F)F)cn1)C1CCS(=O)(=O)CC1 ZINC000275360452 655231806 /nfs/dbraw/zinc/23/18/06/655231806.db2.gz SQVIESLPPILFMY-GFCCVEGCSA-N 1 0 379.448 2.705 20 0 GFADRO NC(=O)c1cnn2c1C[C@@H](C[NH2+][C@H]1CCc3c1cccc3Br)CC2 ZINC000275366125 655232137 /nfs/dbraw/zinc/23/21/37/655232137.db2.gz BQIIHDTVKPTTCP-ZBEGNZNMSA-N 1 0 389.297 2.584 20 0 GFADRO Cc1ccc([C@@H](CNC(=O)c2cc(I)c[nH]2)[NH+](C)C)cc1 ZINC000115347587 655235917 /nfs/dbraw/zinc/23/59/17/655235917.db2.gz IORVUXPVQCRNFR-OAHLLOKOSA-N 1 0 397.260 2.960 20 0 GFADRO CC1CC[NH+](C[C@@H](O)CNC(=O)c2cc(-c3ccc(Cl)s3)on2)CC1 ZINC000116448102 655247838 /nfs/dbraw/zinc/24/78/38/655247838.db2.gz YPPZZOFVVLPMTI-LBPRGKRZSA-N 1 0 383.901 2.879 20 0 GFADRO C[NH+](C)CC[C@@H](NC(=O)C(=O)Nc1ccccc1Br)C(C)(C)C ZINC000116588385 655249752 /nfs/dbraw/zinc/24/97/52/655249752.db2.gz XKMXHCBFYJGUJI-CQSZACIVSA-N 1 0 384.318 2.870 20 0 GFADRO O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)c1occc1Br ZINC000176529647 655249833 /nfs/dbraw/zinc/24/98/33/655249833.db2.gz RPRUYADWQXHIIW-UHFFFAOYSA-N 1 0 392.297 2.590 20 0 GFADRO CCOc1cc(C[N@H+](CCO)CCCOC)cc(Br)c1OC ZINC000275843011 655253060 /nfs/dbraw/zinc/25/30/60/655253060.db2.gz HBHAXUHFKFWXSF-UHFFFAOYSA-N 1 0 376.291 2.687 20 0 GFADRO CCO[C@H](CC[NH+](C)C)CNC(=O)C1(c2cccc(Br)c2)CC1 ZINC000176885572 655258897 /nfs/dbraw/zinc/25/88/97/655258897.db2.gz ILFUCAUXXLKDSS-MRXNPFEDSA-N 1 0 383.330 2.954 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1Cl)C1CC1 ZINC000118102468 655271846 /nfs/dbraw/zinc/27/18/46/655271846.db2.gz CNNHPFPZMWNTGZ-CYBMUJFWSA-N 1 0 377.794 2.754 20 0 GFADRO C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000118898060 655283360 /nfs/dbraw/zinc/28/33/60/655283360.db2.gz DCRNYRFTMHNFPN-JTQLQIEISA-N 1 0 377.794 2.755 20 0 GFADRO CC1CC[NH+](CCCNC(=O)N[C@@H](CO)c2cccc(Br)c2)CC1 ZINC000177891925 655290409 /nfs/dbraw/zinc/29/04/09/655290409.db2.gz WZGVWOBCPFEEEC-KRWDZBQOSA-N 1 0 398.345 2.904 20 0 GFADRO COc1ccc2c(c1)[C@@H]([NH2+]CCNS(=O)(=O)c1cccc(Cl)c1)CC2 ZINC000178003768 655294876 /nfs/dbraw/zinc/29/48/76/655294876.db2.gz LCMQYOZPNXDWOR-SFHVURJKSA-N 1 0 380.897 2.904 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000178005953 655295030 /nfs/dbraw/zinc/29/50/30/655295030.db2.gz ZXYYPMRMPBZRGM-UONOGXRCSA-N 1 0 382.302 2.685 20 0 GFADRO COC(=O)[C@H](C)CC(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000178053184 655296380 /nfs/dbraw/zinc/29/63/80/655296380.db2.gz QIAOZTIAUHGHBV-CYBMUJFWSA-N 1 0 385.302 2.539 20 0 GFADRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)Nc1nc(-c2cccs2)cs1 ZINC000119303728 655297767 /nfs/dbraw/zinc/29/77/67/655297767.db2.gz GJRBJZYGLOTIAF-AAEUAGOBSA-N 1 0 378.523 2.609 20 0 GFADRO Cc1ccc(S(=O)(=O)N2CCC[C@@H]([NH+](C)C)CC2)c(Br)c1 ZINC000277010148 655297868 /nfs/dbraw/zinc/29/78/68/655297868.db2.gz LHMUTRUFCFWNGN-CYBMUJFWSA-N 1 0 375.332 2.862 20 0 GFADRO CC[NH+]1CCC(N(c2ccccc2)S(=O)(=O)c2cn(C)c(Cl)n2)CC1 ZINC000277063284 655301123 /nfs/dbraw/zinc/30/11/23/655301123.db2.gz NQNRNUVCDGBDIS-UHFFFAOYSA-N 1 0 382.917 2.753 20 0 GFADRO COC(=O)CC(C)(C)[NH2+]CC(=O)Nc1c(F)cc(F)cc1Br ZINC000178326285 655301445 /nfs/dbraw/zinc/30/14/45/655301445.db2.gz MCUMBLRGVNQPHI-UHFFFAOYSA-N 1 0 379.201 2.597 20 0 GFADRO Cc1ccc(NC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)c(Br)n1 ZINC000178380395 655302008 /nfs/dbraw/zinc/30/20/08/655302008.db2.gz LGUKTIWSHCHOPP-CYBMUJFWSA-N 1 0 385.306 2.631 20 0 GFADRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2nc(Br)cs2)[C@H](C)C1 ZINC000119400200 655302730 /nfs/dbraw/zinc/30/27/30/655302730.db2.gz ODHWXNLUYKVUHG-VXGBXAGGSA-N 1 0 390.347 2.772 20 0 GFADRO Cc1csc([C@@](O)(CC(=O)N2CCC[C@H]([NH+](C)C)CC2)C(F)(F)F)n1 ZINC000277133342 655304960 /nfs/dbraw/zinc/30/49/60/655304960.db2.gz GSEMYAMCMDLRAT-WFASDCNBSA-N 1 0 379.448 2.534 20 0 GFADRO C[NH+](C)C1(C(=O)NC[C@H]2CCN(c3ccc(Br)cc3)C2)CCC1 ZINC000119651306 655310140 /nfs/dbraw/zinc/31/01/40/655310140.db2.gz ZCUQSFRXVVGNKU-CQSZACIVSA-N 1 0 380.330 2.876 20 0 GFADRO CCn1nccc1C[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000119650089 655310228 /nfs/dbraw/zinc/31/02/28/655310228.db2.gz RDNJXAGEZOTRFM-UHFFFAOYSA-N 1 0 379.302 2.792 20 0 GFADRO C[NH+](C)[C@H]1CCCN(C(=O)CCNC(=O)c2ccc(Br)cc2)CC1 ZINC000277275970 655310799 /nfs/dbraw/zinc/31/07/99/655310799.db2.gz MZBBTSDAOQAVHN-INIZCTEOSA-N 1 0 396.329 2.512 20 0 GFADRO Cc1c(Br)cc(C(=O)Nc2cccc(C[NH+](C)C)c2)c(=O)n1C ZINC000277298020 655311635 /nfs/dbraw/zinc/31/16/35/655311635.db2.gz BWKHMJOSVUFSAQ-UHFFFAOYSA-N 1 0 378.270 2.770 20 0 GFADRO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1cc(Br)c(C)n(C)c1=O ZINC000277320274 655312725 /nfs/dbraw/zinc/31/27/25/655312725.db2.gz DDUMAUQECWAUPK-GFCCVEGCSA-N 1 0 386.334 2.697 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(C)c(Br)c2)[C@H](C)C1 ZINC000119737768 655313080 /nfs/dbraw/zinc/31/30/80/655313080.db2.gz QCXLWNOVPDVTBX-CZUORRHYSA-N 1 0 396.329 2.885 20 0 GFADRO Brc1cc(C[N@@H+]2CCC[C@H](C3OCCO3)C2)cc2c1OCCO2 ZINC000179368825 655313177 /nfs/dbraw/zinc/31/31/77/655313177.db2.gz QACFBTNQCQARQY-ZDUSSCGKSA-N 1 0 384.270 2.805 20 0 GFADRO COCC[N@H+](C)CCCNC(=O)Cc1cc(Cl)ccc1Br ZINC000119832118 655317401 /nfs/dbraw/zinc/31/74/01/655317401.db2.gz GMMMIJIACWHRNC-UHFFFAOYSA-N 1 0 377.710 2.730 20 0 GFADRO CS(=O)(=O)N1CC[C@H](C[NH2+]CC2=Cc3cc(Cl)cc(Cl)c3OC2)C1 ZINC000119957126 655322680 /nfs/dbraw/zinc/32/26/80/655322680.db2.gz ZMVXCQZMLBYONP-LLVKDONJSA-N 1 0 391.320 2.640 20 0 GFADRO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CCCN1CCCC1=O ZINC000119958759 655322920 /nfs/dbraw/zinc/32/29/20/655322920.db2.gz BANCADLHKVKNLD-CYBMUJFWSA-N 1 0 382.302 2.768 20 0 GFADRO O[C@H](C[NH2+]C1(c2cccc(Br)c2)CCC1)COC1CCOCC1 ZINC000119967258 655323119 /nfs/dbraw/zinc/32/31/19/655323119.db2.gz YMHQKTMHXARCEQ-MRXNPFEDSA-N 1 0 384.314 2.974 20 0 GFADRO O=C(NC1CC[NH+](C2CCCC2)CC1)c1ccncc1I ZINC000120079614 655326989 /nfs/dbraw/zinc/32/69/89/655326989.db2.gz MCZMCFHHUZXXBC-UHFFFAOYSA-N 1 0 399.276 2.823 20 0 GFADRO O[C@@H](COCc1ccccc1Cl)C[N@@H+]1CCCN(CC(F)(F)F)CC1 ZINC000120129311 655328678 /nfs/dbraw/zinc/32/86/78/655328678.db2.gz DFJIYJVUTGKMHB-OAHLLOKOSA-N 1 0 380.838 2.788 20 0 GFADRO CC1CC[NH+](C[C@H]2CCCN(C(=O)c3cc(S(C)(=O)=O)cs3)C2)CC1 ZINC000120214512 655331452 /nfs/dbraw/zinc/33/14/52/655331452.db2.gz WZBYEMXCITVLOV-OAHLLOKOSA-N 1 0 384.567 2.736 20 0 GFADRO C[C@@H](CCc1ccc(OC(F)F)cc1)[NH2+]C1CCN(S(C)(=O)=O)CC1 ZINC000120295710 655334269 /nfs/dbraw/zinc/33/42/69/655334269.db2.gz ARCZMQQKQQLDLH-ZDUSSCGKSA-N 1 0 376.469 2.623 20 0 GFADRO Cc1nc(Br)ccc1NC(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1 ZINC000181314577 655334978 /nfs/dbraw/zinc/33/49/78/655334978.db2.gz FFHBAUZGZSQIQN-ZDUSSCGKSA-N 1 0 385.306 2.727 20 0 GFADRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)NCc1ccc(O)c(Br)c1 ZINC000289237059 655344709 /nfs/dbraw/zinc/34/47/09/655344709.db2.gz OZXGDDSUJVZMHX-GXTWGEPZSA-N 1 0 382.302 2.923 20 0 GFADRO C[C@@H](Oc1ccccc1Br)C(=O)NCCC[NH2+]Cc1cccnc1 ZINC000120848671 655345364 /nfs/dbraw/zinc/34/53/64/655345364.db2.gz DEXIKRPTLCPUBA-CQSZACIVSA-N 1 0 392.297 2.908 20 0 GFADRO C[C@@H](C(=O)NC[C@H]1CC[C@H](C[NH3+])CC1)N1C(=S)N=NC1c1cccs1 ZINC000289337815 655346901 /nfs/dbraw/zinc/34/69/01/655346901.db2.gz WMUZZFVXNYFFPU-AVGNSLFASA-N 1 0 379.555 2.738 20 0 GFADRO COc1ccc(OC)c(C[NH2+]CCNC(=O)c2ccc(Br)cc2)c1 ZINC000121149714 655348163 /nfs/dbraw/zinc/34/81/63/655348163.db2.gz URSZWIUSFFUIGI-UHFFFAOYSA-N 1 0 393.281 2.986 20 0 GFADRO Cn1nccc1N1CCC[C@H]([NH2+]Cc2cn3ccc(Br)cc3n2)C1 ZINC000289442953 655349371 /nfs/dbraw/zinc/34/93/71/655349371.db2.gz GDGAKEUBBCJURD-AWEZNQCLSA-N 1 0 389.301 2.589 20 0 GFADRO Cc1cc(Br)cc(CN(CCC#N)CCN2CCOCC2)c1O ZINC000183372741 655350994 /nfs/dbraw/zinc/35/09/94/655350994.db2.gz QHNICFTUUIMMOX-UHFFFAOYSA-N 1 0 382.302 2.511 20 0 GFADRO C[C@H]([NH2+]CCS(=O)(=O)C(C)(C)C)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000183901024 655354239 /nfs/dbraw/zinc/35/42/39/655354239.db2.gz LZJVFIUVHJQVEA-LSDHHAIUSA-N 1 0 376.563 2.967 20 0 GFADRO CC[N@H+](CCO)CCNC(=O)C(C)(C)Sc1ccc(Br)cc1 ZINC000183968113 655354545 /nfs/dbraw/zinc/35/45/45/655354545.db2.gz VETTZFDXFNBPKI-UHFFFAOYSA-N 1 0 389.359 2.750 20 0 GFADRO O=C(c1ccc(I)cc1Cl)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000292847273 655355216 /nfs/dbraw/zinc/35/52/16/655355216.db2.gz CSABHBGGZIEDNP-NOZJJQNGSA-N 1 0 390.652 2.769 20 0 GFADRO CSCc1cnc(C[NH2+]CCOc2ccc(NS(C)(=O)=O)cc2)s1 ZINC000292939371 655357541 /nfs/dbraw/zinc/35/75/41/655357541.db2.gz BYUVBMGYINDCKB-UHFFFAOYSA-N 1 0 387.552 2.546 20 0 GFADRO CN(Cc1cc(Br)cs1)C(=O)C[N@@H+]1CCC[C@@H](CO)CC1 ZINC000293146965 655359332 /nfs/dbraw/zinc/35/93/32/655359332.db2.gz NWLFEBHFDGPJHL-GFCCVEGCSA-N 1 0 375.332 2.563 20 0 GFADRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)c1ccn(-c2ccc(Br)cc2)n1 ZINC000293152528 655359542 /nfs/dbraw/zinc/35/95/42/655359542.db2.gz BIGYNVAWRLQENC-ZDUSSCGKSA-N 1 0 389.297 2.849 20 0 GFADRO CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H](C)c2cc(Br)cc(F)c2[O-])CC1 ZINC000185022140 655361869 /nfs/dbraw/zinc/36/18/69/655361869.db2.gz QQHBOTSXFKEBEA-STQMWFEESA-N 1 0 388.325 2.970 20 0 GFADRO COC(=O)N1CCC([C@H](C)[NH2+]C[C@H](O)c2ccccc2Br)CC1 ZINC000186414073 655369380 /nfs/dbraw/zinc/36/93/80/655369380.db2.gz LSFOSYSUNYMKLU-LRDDRELGSA-N 1 0 385.302 2.939 20 0 GFADRO CN(Cc1ccc(Cl)s1)C(=O)C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000297669816 655371219 /nfs/dbraw/zinc/37/12/19/655371219.db2.gz GAEDCKNBTJZIDB-CQSZACIVSA-N 1 0 383.945 2.837 20 0 GFADRO COC(=O)c1ncn(CN2CCC(c3ccc(Br)c(C)c3)CC2)n1 ZINC000187032036 655372512 /nfs/dbraw/zinc/37/25/12/655372512.db2.gz IRINPUMJASJREZ-UHFFFAOYSA-N 1 0 393.285 2.973 20 0 GFADRO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]C[C@H](O)c2ccc(F)cc2Cl)cc1 ZINC000187421433 655374290 /nfs/dbraw/zinc/37/42/90/655374290.db2.gz WMDXGBNZPZTVCY-DIFFPNOSSA-N 1 0 386.876 2.771 20 0 GFADRO CC(C)OCCOC[C@H](O)C[N@H+](C)Cc1ccc(F)c(Br)c1 ZINC000299427774 655375975 /nfs/dbraw/zinc/37/59/75/655375975.db2.gz PKDSHIGBUNERJM-CQSZACIVSA-N 1 0 378.282 2.823 20 0 GFADRO C[C@@](O)(CC[NH2+][C@H](C(N)=O)c1ccc(Br)cc1)c1ccccc1 ZINC000187668668 655376004 /nfs/dbraw/zinc/37/60/04/655376004.db2.gz ZTDNQYJCRYRAKS-FUHWJXTLSA-N 1 0 377.282 2.863 20 0 GFADRO CC[N@@H+]1CC[C@H]2OCCN(Cn3nc(-c4sccc4C)oc3=S)[C@H]2C1 ZINC000840082954 661130226 /nfs/dbraw/zinc/13/02/26/661130226.db2.gz APBLUSGAVRSKMC-UONOGXRCSA-N 1 0 380.539 2.995 20 0 GFADRO C[C@@H](C[C@@H]1CCCCCN1C(=O)OC(C)(C)C)[NH2+]CCCS(C)(=O)=O ZINC000301518682 655377778 /nfs/dbraw/zinc/37/77/78/655377778.db2.gz ZZUFTXWJBPJXQY-HOTGVXAUSA-N 1 0 376.563 2.969 20 0 GFADRO O=C1N[C@@H](c2ccc(Br)cc2)C(=O)N1C1CC[NH+](CC2CC2)CC1 ZINC000349211979 655388567 /nfs/dbraw/zinc/38/85/67/655388567.db2.gz JIBHWYTYZYRCDP-INIZCTEOSA-N 1 0 392.297 2.916 20 0 GFADRO COCCC[N@H+](C)CCN1C(=O)[C@@H](c2ccc(Cl)c(Cl)c2)N(C)C1=O ZINC000349391527 655390102 /nfs/dbraw/zinc/39/01/02/655390102.db2.gz CUMDBJQSAWHJBK-OAHLLOKOSA-N 1 0 388.295 2.897 20 0 GFADRO CN1C(=O)N(CC2([NH+](C)C)CCC2)C(=O)[C@H]1c1cccc(Br)c1 ZINC000349442638 655390276 /nfs/dbraw/zinc/39/02/76/655390276.db2.gz XBVDIIDKPAYDDA-CQSZACIVSA-N 1 0 380.286 2.869 20 0 GFADRO COCCC[N@@H+]1CCCN(C(=O)Cc2csc(-c3cccs3)n2)CC1 ZINC000363204988 655391403 /nfs/dbraw/zinc/39/14/03/655391403.db2.gz KTAHKNKHTRJPCR-UHFFFAOYSA-N 1 0 379.551 2.985 20 0 GFADRO O=C(CN1CC[NH+]([C@H]2CCSC2)CC1)Nc1ccccc1Br ZINC000365889455 655395825 /nfs/dbraw/zinc/39/58/25/655395825.db2.gz CGLYIGAODZHEHV-ZDUSSCGKSA-N 1 0 384.343 2.511 20 0 GFADRO O[C@H](COCC(F)(F)F)C[N@@H+]1CCC[C@H](c2cc(C(F)(F)F)n[nH]2)C1 ZINC000366583791 655400133 /nfs/dbraw/zinc/40/01/33/655400133.db2.gz PSSYMDFRTQXWQU-UWVGGRQHSA-N 1 0 375.313 2.548 20 0 GFADRO COCC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(Cl)c(Br)c2)C1 ZINC000398937954 655402552 /nfs/dbraw/zinc/40/25/52/655402552.db2.gz WKAOYYDLMGAQGM-GFCCVEGCSA-N 1 0 375.694 2.943 20 0 GFADRO C[N@@H+]1CCC[C@@H]2CN(Cn3c(=O)oc4cc(F)c(Br)cc43)CC[C@@H]21 ZINC000192162517 655403011 /nfs/dbraw/zinc/40/30/11/655403011.db2.gz HZJXRBZHKIGWPC-RISCZKNCSA-N 1 0 398.276 2.870 20 0 GFADRO CC[NH+](CC)[C@H]1CCN(Cn2c(=O)oc3cc(F)c(Br)cc32)C1 ZINC000192161020 655403034 /nfs/dbraw/zinc/40/30/34/655403034.db2.gz IACUHRFKIQKEGN-NSHDSACASA-N 1 0 386.265 2.870 20 0 GFADRO CO[C@@H](CS(=O)(=O)N(CC[NH+](C)C)Cc1ccsc1)c1ccccc1 ZINC000416559484 655403915 /nfs/dbraw/zinc/40/39/15/655403915.db2.gz QOUZCJLFOPJIHW-SFHVURJKSA-N 1 0 382.551 2.829 20 0 GFADRO [NH3+]C1(CNC(=O)NC[C@@H](CO)Cc2ccccc2Br)CCCCC1 ZINC000418318667 655405479 /nfs/dbraw/zinc/40/54/79/655405479.db2.gz NWXABFQGOLOLKU-AWEZNQCLSA-N 1 0 398.345 2.561 20 0 GFADRO O=C(NCCC[NH2+]Cc1cccnc1)N1CCSC[C@@H]1c1nccs1 ZINC000418330533 655405631 /nfs/dbraw/zinc/40/56/31/655405631.db2.gz QDVJZAYMMJKZKQ-OAHLLOKOSA-N 1 0 377.539 2.518 20 0 GFADRO COc1ccc(Br)cc1CN(C)C(=O)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000418342444 655405634 /nfs/dbraw/zinc/40/56/34/655405634.db2.gz MYPKRYQRZKLTQL-OLZOCXBDSA-N 1 0 384.318 2.987 20 0 GFADRO O=C(N[C@@H]1CCCC[NH2+]C1)C(=O)N(Cc1cccs1)Cc1cccs1 ZINC000419934769 655407151 /nfs/dbraw/zinc/40/71/51/655407151.db2.gz GPNYBSRNRHXYFL-CQSZACIVSA-N 1 0 377.535 2.597 20 0 GFADRO Cc1cc(S(=O)(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)cnc1Cl ZINC000192987440 655407752 /nfs/dbraw/zinc/40/77/52/655407752.db2.gz VODBABOZPRBRRH-INIZCTEOSA-N 1 0 379.913 2.844 20 0 GFADRO O=c1c(Br)nn(C[N@H+]2CCC[C@@H]2[C@H]2CCC[C@@H]2O)c2ccccc12 ZINC000840118276 661135432 /nfs/dbraw/zinc/13/54/32/661135432.db2.gz CXGPKEJKRKQHQU-XPKDYRNWSA-N 1 0 392.297 2.742 20 0 GFADRO COC(=O)c1cc(S(=O)(=O)N[C@@H](C[NH3+])C2CCCC2)c(Cl)cc1Cl ZINC000194774346 655417468 /nfs/dbraw/zinc/41/74/68/655417468.db2.gz ZMMDPBLCCQSLTK-ZDUSSCGKSA-N 1 0 395.308 2.576 20 0 GFADRO C[C@@H](Cc1ccc(F)c(Br)c1)NC(=O)c1csc(CC[NH3+])n1 ZINC000194820112 655417678 /nfs/dbraw/zinc/41/76/78/655417678.db2.gz XNZUQFZGXKAOBN-VIFPVBQESA-N 1 0 386.290 2.907 20 0 GFADRO CN(CC1([NH+](C)C)CCC1)C(=O)c1cc(I)ccc1O ZINC000220975946 655422060 /nfs/dbraw/zinc/42/20/60/655422060.db2.gz BORRUDUVFOKUMD-UHFFFAOYSA-N 1 0 388.249 2.553 20 0 GFADRO O=C(NCC[C@H]1CC[NH2+]C1)c1ccc(Br)cc1Br ZINC000232484579 655423740 /nfs/dbraw/zinc/42/37/40/655423740.db2.gz ZXOXKHHESKRQMO-SECBINFHSA-N 1 0 376.092 2.941 20 0 GFADRO C[NH+]1CCC(N(CCO)C(=O)c2cc(Cl)cc(Br)c2)CC1 ZINC000234337637 655424242 /nfs/dbraw/zinc/42/42/42/655424242.db2.gz HEIGKGDQAJKSSS-UHFFFAOYSA-N 1 0 375.694 2.631 20 0 GFADRO CC(C)C[C@@](C)(C[NH3+])NC(=O)CN1C(=S)N=NC1c1ccc(Cl)cc1 ZINC000236677143 655424747 /nfs/dbraw/zinc/42/47/47/655424747.db2.gz GMOWAZCOFDWGDF-KRWDZBQOSA-N 1 0 381.933 2.767 20 0 GFADRO C[C@@H]1C[NH+](C(C)(C)CNc2ccc(I)cn2)C[C@@H](C)O1 ZINC000567203763 655425277 /nfs/dbraw/zinc/42/52/77/655425277.db2.gz FBIBDLKYANTZPE-VXGBXAGGSA-N 1 0 389.281 2.986 20 0 GFADRO Cc1c(C(=O)N(C)C2CCC([NH3+])CC2)nnn1-c1cccc(Br)c1 ZINC000237019564 655425404 /nfs/dbraw/zinc/42/54/04/655425404.db2.gz LXSSFNACKSAVLN-UHFFFAOYSA-N 1 0 392.301 2.680 20 0 GFADRO C[C@@H](C[NH3+])CNC(=O)c1cc(I)cc(C(F)(F)F)c1 ZINC000237371357 655426066 /nfs/dbraw/zinc/42/60/66/655426066.db2.gz LYLJENJETGXQER-ZETCQYMHSA-N 1 0 386.155 2.635 20 0 GFADRO C[C@@H](C[NH3+])CNC(=O)c1ccccc1N(C)C(=O)c1ccc(Br)o1 ZINC000237376464 655426262 /nfs/dbraw/zinc/42/62/62/655426262.db2.gz HVBNOJNXSSVRMQ-NSHDSACASA-N 1 0 394.269 2.643 20 0 GFADRO CC(C)CN(Cc1ccccc1Br)C(=O)C(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000574204493 655426389 /nfs/dbraw/zinc/42/63/89/655426389.db2.gz IQASIBUTAVTMCG-KGLIPLIRSA-N 1 0 398.345 2.676 20 0 GFADRO CC(C)CN(Cc1ccccc1Br)C(=O)C(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000574204494 655426391 /nfs/dbraw/zinc/42/63/91/655426391.db2.gz IQASIBUTAVTMCG-UONOGXRCSA-N 1 0 398.345 2.676 20 0 GFADRO Cc1ccc(S(=O)(=O)NCC[NH2+]Cc2cc(Br)ccc2O)cc1 ZINC000237744825 655426519 /nfs/dbraw/zinc/42/65/19/655426519.db2.gz FLOCOBRRGUSJQC-UHFFFAOYSA-N 1 0 399.310 2.531 20 0 GFADRO O=C(C[NH2+]C[C@H]1CCCO1)NNc1c(Cl)cc(Br)cc1Cl ZINC000237801896 655426595 /nfs/dbraw/zinc/42/65/95/655426595.db2.gz VZURVGIRSKYRAX-SECBINFHSA-N 1 0 397.100 2.968 20 0 GFADRO CCOC(=O)N1CCC([NH2+]CCC(=O)Nc2cccc(Br)c2)CC1 ZINC000243483017 655427351 /nfs/dbraw/zinc/42/73/51/655427351.db2.gz NPRIVIYRZBPVAA-UHFFFAOYSA-N 1 0 398.301 2.988 20 0 GFADRO CN(C(=O)[C@H]1CSCCS1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000245691851 655428196 /nfs/dbraw/zinc/42/81/96/655428196.db2.gz JUYZYQHUAGLDNN-KZNAEPCWSA-N 1 0 385.643 2.631 20 0 GFADRO Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)NC[C@H]1C[NH2+]CCN1C ZINC000574312153 655428819 /nfs/dbraw/zinc/42/88/19/655428819.db2.gz OSADYLOWZUPZBL-LLVKDONJSA-N 1 0 383.279 2.590 20 0 GFADRO O=S(=O)(NC1CCCC1)[C@@H]1CCCN(C[C@H](O)c2cccc(Cl)c2)C1 ZINC000248464637 655432662 /nfs/dbraw/zinc/43/26/62/655432662.db2.gz ZNYZFQRGRPHKAD-MSOLQXFVSA-N 1 0 386.945 2.700 20 0 GFADRO CCO[C@@H]1C[C@]([NH3+])(C(=O)NC[C@@H](O)c2cc(Cl)cc(Cl)c2)C1(C)C ZINC000249072319 655433790 /nfs/dbraw/zinc/43/37/90/655433790.db2.gz LSDNQKZGBNKVPU-CPUCHLNUSA-N 1 0 375.296 2.676 20 0 GFADRO C[C@@](O)(C[NH2+]C[C@@H](CO)Cc1ccccc1OC(F)(F)F)C(F)(F)F ZINC000574989358 655434142 /nfs/dbraw/zinc/43/41/42/655434142.db2.gz OLDKYBJXUJOOEL-GXFFZTMASA-N 1 0 375.309 2.639 20 0 GFADRO Cc1c(Br)cccc1C[C@@H](CO)C[NH2+]C[C@H](O)CC(F)(F)F ZINC000575180808 655436961 /nfs/dbraw/zinc/43/69/61/655436961.db2.gz DFOSDNBYGGYYBI-DGCLKSJQSA-N 1 0 384.236 2.811 20 0 GFADRO C[NH2+][C@@H](CC(C)(C)C)C(=O)NCCC(=O)Nc1ccc(Br)cc1 ZINC000575864260 655438724 /nfs/dbraw/zinc/43/87/24/655438724.db2.gz DUKOYHCARXJMDT-AWEZNQCLSA-N 1 0 384.318 2.918 20 0 GFADRO COc1cc(C[NH2+][C@@H]2CCC[C@@H]3CN(C(C)=O)C[C@H]32)c(Br)cc1O ZINC000575950397 655440599 /nfs/dbraw/zinc/44/05/99/655440599.db2.gz BBEFJZQQGKVHHM-XNRPHZJLSA-N 1 0 397.313 2.900 20 0 GFADRO Brc1cc(CN2CC[NH2+]C[C@@H]2c2cccnc2)cc2c1OCCO2 ZINC000261800323 655442337 /nfs/dbraw/zinc/44/23/37/655442337.db2.gz VVANDJKBOIUNEE-MRXNPFEDSA-N 1 0 390.281 2.762 20 0 GFADRO O[C@@H](C[NH2+]CCn1cc(Br)cn1)Cc1ccc(C(F)(F)F)cc1 ZINC000576102081 655443327 /nfs/dbraw/zinc/44/33/27/655443327.db2.gz QSDITXVKANYZDA-CQSZACIVSA-N 1 0 392.219 2.858 20 0 GFADRO Cc1cc(OC[C@H](O)C[NH2+]C[C@H](C)S(C)(=O)=O)c(C(C)C)cc1Cl ZINC000576101222 655443361 /nfs/dbraw/zinc/44/33/61/655443361.db2.gz NLWRBKJRIYMCFM-UONOGXRCSA-N 1 0 377.934 2.534 20 0 GFADRO [NH3+]CCC(=O)NC[C@@H]1CCCCN1Cc1c(F)ccc(Br)c1F ZINC000262131739 655444012 /nfs/dbraw/zinc/44/40/12/655444012.db2.gz YFMVXJGMGXSASN-NSHDSACASA-N 1 0 390.272 2.547 20 0 GFADRO CCCCOC[C@H](O)C[NH2+][C@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000576150797 655444356 /nfs/dbraw/zinc/44/43/56/655444356.db2.gz YVKULPLSDDJWGW-HIFRSBDPSA-N 1 0 375.296 2.866 20 0 GFADRO COc1ccc(C(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)c(I)c1 ZINC000576148093 655444395 /nfs/dbraw/zinc/44/43/95/655444395.db2.gz BEAHRHVBNJLOOR-WDEREUQCSA-N 1 0 388.249 2.547 20 0 GFADRO C[NH+]1CCC(N(Cc2ccccc2Br)C(=O)c2cn[nH]c2)CC1 ZINC000576573614 655449166 /nfs/dbraw/zinc/44/91/66/655449166.db2.gz NQMZVSZBKXYOFD-UHFFFAOYSA-N 1 0 377.286 2.909 20 0 GFADRO CCCN(C(=O)c1ccc(-n2cc(Br)cn2)cc1)[C@H]1CC[NH2+]C1 ZINC000576576665 655449311 /nfs/dbraw/zinc/44/93/11/655449311.db2.gz KAFQAJGXUAUUIS-INIZCTEOSA-N 1 0 377.286 2.849 20 0 GFADRO COC(=O)c1ccc(C[NH2+]C[C@H](C(C)C)N2CCOCC2)c(Br)c1 ZINC000576723160 655451581 /nfs/dbraw/zinc/45/15/81/655451581.db2.gz NGCDGOUDEBKNTB-QGZVFWFLSA-N 1 0 399.329 2.682 20 0 GFADRO NC(=O)c1cccc(CC[NH2+]C[C@H](O)COc2c(Cl)cccc2Cl)c1 ZINC000576864253 655453342 /nfs/dbraw/zinc/45/33/42/655453342.db2.gz QRNRJRBDWCZQLZ-AWEZNQCLSA-N 1 0 383.275 2.664 20 0 GFADRO CC(C)OC[C@H](O)C[NH2+]CC1(c2ccc(Br)cc2)CCOCC1 ZINC000576862529 655453390 /nfs/dbraw/zinc/45/33/90/655453390.db2.gz DMUORANZEBGNPH-QGZVFWFLSA-N 1 0 386.330 2.873 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)C[N@@H+](C)CCCc1cncn1C ZINC000576954181 655455259 /nfs/dbraw/zinc/45/52/59/655455259.db2.gz JBUBRTDGTWXVTO-UHFFFAOYSA-N 1 0 379.302 2.994 20 0 GFADRO CN(CC1CC[NH+](C)CC1)C(=O)c1cc(F)ccc1I ZINC000264017995 655456133 /nfs/dbraw/zinc/45/61/33/655456133.db2.gz FHPBOOMJKTYDMI-UHFFFAOYSA-N 1 0 390.240 2.844 20 0 GFADRO [NH3+]Cc1ccc(CNC(=O)N[C@H](CCO)c2ccccc2Br)cc1 ZINC000577060759 655456824 /nfs/dbraw/zinc/45/68/24/655456824.db2.gz PEZHMVLHPSUXCC-QGZVFWFLSA-N 1 0 392.297 2.831 20 0 GFADRO Cc1cc(NC(=O)CC[NH2+][C@@H]2C[C@H]2c2ccc(Br)c(F)c2)no1 ZINC000577483692 655460737 /nfs/dbraw/zinc/46/07/37/655460737.db2.gz DWQICNINZWNSME-SMDDNHRTSA-N 1 0 382.233 3.359 20 0 GFADRO CN(Cc1ccccc1Cl)C(=O)C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000577536390 655461417 /nfs/dbraw/zinc/46/14/17/655461417.db2.gz YVIBTMRJNOMHIY-HNNXBMFYSA-N 1 0 379.913 2.779 20 0 GFADRO COc1cc(C[NH2+]Cc2cnc(N(C)C)nc2)cc(Br)c1OC ZINC000264373575 655461963 /nfs/dbraw/zinc/46/19/63/655461963.db2.gz MJWJCBVGHKHKIF-UHFFFAOYSA-N 1 0 381.274 2.612 20 0 GFADRO CSc1nc2ccc(NC(=O)N[C@H](C)CN3CC[NH+](C)CC3)cc2s1 ZINC000264385172 655462270 /nfs/dbraw/zinc/46/22/70/655462270.db2.gz VNBOPKSSDWUKHA-GFCCVEGCSA-N 1 0 379.555 2.776 20 0 GFADRO CC(C)C[NH+]1CCC(Nc2ccc(S(N)(=O)=O)cc2C(F)(F)F)CC1 ZINC000264379694 655462375 /nfs/dbraw/zinc/46/23/75/655462375.db2.gz WXNGHBMGRCWAIN-UHFFFAOYSA-N 1 0 379.448 2.885 20 0 GFADRO [NH3+]C1C[C@H]2CC[C@@H](C1)C2NS(=O)(=O)c1cccc(OC(F)(F)F)c1F ZINC000577729613 655465795 /nfs/dbraw/zinc/46/57/95/655465795.db2.gz RPSRJOLJYCNMPW-HZNSRWLBSA-N 1 0 382.379 2.519 20 0 GFADRO CCCN(Cc1ccccc1Br)C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000264896628 655473208 /nfs/dbraw/zinc/47/32/08/655473208.db2.gz WJYFOJDOAFDLOV-INIZCTEOSA-N 1 0 397.361 2.617 20 0 GFADRO O=S(=O)(c1cccc(Br)c1F)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000578236624 655474833 /nfs/dbraw/zinc/47/48/33/655474833.db2.gz DDHZIHYBMXQKCZ-NWDGAFQWSA-N 1 0 391.306 2.598 20 0 GFADRO O=S(=O)(c1cccc(Br)c1F)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000578236625 655474886 /nfs/dbraw/zinc/47/48/86/655474886.db2.gz DDHZIHYBMXQKCZ-RYUDHWBXSA-N 1 0 391.306 2.598 20 0 GFADRO CC(C)C[C@H]([NH3+])C(=O)NCc1cc(Cl)cc(I)c1 ZINC000578321094 655476556 /nfs/dbraw/zinc/47/65/56/655476556.db2.gz UNYIDSQXYROYPG-LBPRGKRZSA-N 1 0 380.657 2.934 20 0 GFADRO COc1ccc(C[N@H+](C)C[C@H](O)COCCOC(C)C)cc1Br ZINC000265291306 655480495 /nfs/dbraw/zinc/48/04/95/655480495.db2.gz ZOKDXWLOABTULZ-HNNXBMFYSA-N 1 0 390.318 2.692 20 0 GFADRO CCOC(=O)CC[C@@H](O)C[NH2+][C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1 ZINC000578500085 655480567 /nfs/dbraw/zinc/48/05/67/655480567.db2.gz LHPXECAABRIGKO-TZMCWYRMSA-N 1 0 375.296 2.866 20 0 GFADRO CCC(=O)N1CSC[C@H]1C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1 ZINC000265389875 655482483 /nfs/dbraw/zinc/48/24/83/655482483.db2.gz SJLRHMICLKEQSP-AWEZNQCLSA-N 1 0 385.917 2.530 20 0 GFADRO CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+]C[C@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000578619195 655483100 /nfs/dbraw/zinc/48/31/00/655483100.db2.gz DXPYDXKHXLIJHS-MELADBBJSA-N 1 0 396.336 2.679 20 0 GFADRO O=S(=O)(N[C@@H]1C[NH2+]C[C@H]1c1ccccc1)c1ccc(F)cc1Br ZINC000578732276 655485730 /nfs/dbraw/zinc/48/57/30/655485730.db2.gz XWUSKKNYYLYTPD-DZGCQCFKSA-N 1 0 399.285 2.622 20 0 GFADRO C[C@@H]1[C@H](C)[S@](=O)CCN1C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000265629573 655487470 /nfs/dbraw/zinc/48/74/70/655487470.db2.gz RNURCNTVCRYAIL-OKXMYEFYSA-N 1 0 383.583 2.511 20 0 GFADRO CC(C)OCC(=O)NC1CC[NH+](CCOc2ccc(Br)cc2)CC1 ZINC000265633015 655487625 /nfs/dbraw/zinc/48/76/25/655487625.db2.gz TWWQFXHHSAHLGY-UHFFFAOYSA-N 1 0 399.329 2.834 20 0 GFADRO O=C(C1CC1)N1CCC([NH2+]C[C@@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000578896019 655488769 /nfs/dbraw/zinc/48/87/69/655488769.db2.gz KDQGOUZWZXBKMA-CQSZACIVSA-N 1 0 387.307 2.724 20 0 GFADRO COC[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccc(I)cc2)C1 ZINC000265816994 655491166 /nfs/dbraw/zinc/49/11/66/655491166.db2.gz RAIQGMBFICKADB-NWDGAFQWSA-N 1 0 388.249 2.587 20 0 GFADRO [NH3+]CCC1CCN(C(=O)N[C@@H]2CCN(c3ccccc3Br)C2)CC1 ZINC000579016354 655491798 /nfs/dbraw/zinc/49/17/98/655491798.db2.gz MXWALPAXYHOLRV-OAHLLOKOSA-N 1 0 395.345 2.798 20 0 GFADRO CCOCC[C@@H](O)C[NH2+][C@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O ZINC000579113195 655494135 /nfs/dbraw/zinc/49/41/35/655494135.db2.gz SMSNHSSVRAFQNB-HIFRSBDPSA-N 1 0 375.296 2.866 20 0 GFADRO COC(=O)CN(CCc1ccc(Cl)cc1Cl)C(=O)c1coc(C[NH3+])c1 ZINC000579120806 655494417 /nfs/dbraw/zinc/49/44/17/655494417.db2.gz QPUCTQXKXIUZIH-UHFFFAOYSA-N 1 0 385.247 2.903 20 0 GFADRO O=C(/C=C/c1ccc(Br)s1)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000266048516 655495805 /nfs/dbraw/zinc/49/58/05/655495805.db2.gz AHFRRKBJBRYMDR-OHVSUOQFSA-N 1 0 385.327 2.705 20 0 GFADRO CCOC[C@@H](O)C[NH2+][C@H]1CCCN(c2c(C)cc(Br)cc2C)C1=O ZINC000579229394 655496063 /nfs/dbraw/zinc/49/60/63/655496063.db2.gz VZODVEVDFBQMEZ-HOTGVXAUSA-N 1 0 399.329 2.548 20 0 GFADRO C[C@@H](CCC[NH3+])NS(=O)(=O)c1cc(C(F)(F)F)ccc1Br ZINC000579238689 655496343 /nfs/dbraw/zinc/49/63/43/655496343.db2.gz SCAQITFKDMLSIH-QMMMGPOBSA-N 1 0 389.237 2.874 20 0 GFADRO CC1=CC[N@H+](CCNC(=O)[C@@H]2CC(=O)Nc3ccc(Br)cc32)CC1 ZINC000579542462 655501062 /nfs/dbraw/zinc/50/10/62/655501062.db2.gz JWSBAECAIYLNOL-OAHLLOKOSA-N 1 0 392.297 2.643 20 0 GFADRO COc1cc(NC(=O)c2ccc3c(c2)CC[NH2+]CC3)ncc1Br ZINC000579588367 655501915 /nfs/dbraw/zinc/50/19/15/655501915.db2.gz LOYWHQLQRAXZKX-UHFFFAOYSA-N 1 0 376.254 2.793 20 0 GFADRO [NH3+][C@@H]1CCCO[C@H]1C1CCN(C(=O)COc2cccc(Br)c2)CC1 ZINC000579700673 655502532 /nfs/dbraw/zinc/50/25/32/655502532.db2.gz XOBRXMMYSAYRJU-AEFFLSMTSA-N 1 0 397.313 2.573 20 0 GFADRO C[C@H]([NH2+]C[C@H]1CCCCN1S(=O)(=O)N(C)C)c1ccc(F)c(Cl)c1 ZINC000579998128 655506423 /nfs/dbraw/zinc/50/64/23/655506423.db2.gz NPMMZKZXZRIJGG-GXTWGEPZSA-N 1 0 377.913 2.791 20 0 GFADRO O=C(NCCNc1ncc(Cl)cc1Cl)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000580052152 655507477 /nfs/dbraw/zinc/50/74/77/655507477.db2.gz KHSYJEPFGQFWIM-OAHLLOKOSA-N 1 0 386.327 2.974 20 0 GFADRO Cn1cc(C[NH2+][C@@H]2C[C@H](NC(=O)OC(C)(C)C)C2(C)C)c(Br)n1 ZINC000712427108 655522717 /nfs/dbraw/zinc/52/27/17/655522717.db2.gz UZNJEROSRTUJOK-NEPJUHHUSA-N 1 0 387.322 2.964 20 0 GFADRO Cn1cc(C[NH2+][C@@H]2C[C@@H](NC(=O)OC(C)(C)C)C2(C)C)c(Br)n1 ZINC000712427111 655522721 /nfs/dbraw/zinc/52/27/21/655522721.db2.gz UZNJEROSRTUJOK-VXGBXAGGSA-N 1 0 387.322 2.964 20 0 GFADRO C[C@H]([NH2+]CC[C@@H]1CCCS1(=O)=O)c1ccc(I)cc1 ZINC000714338307 655522857 /nfs/dbraw/zinc/52/28/57/655522857.db2.gz BIJPDZDRLQTPJY-FZMZJTMJSA-N 1 0 393.290 2.909 20 0 GFADRO C[N@H+](Cc1ccccc1)[C@H](CNS(=O)(=O)c1ccc(Cl)nc1)C1CC1 ZINC000718033221 655523951 /nfs/dbraw/zinc/52/39/51/655523951.db2.gz JBCBDFPQOWKMIO-QGZVFWFLSA-N 1 0 379.913 2.924 20 0 GFADRO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)c1ccc(F)cc1I ZINC000720824481 655524766 /nfs/dbraw/zinc/52/47/66/655524766.db2.gz IIDPJXMGPZPLCC-KBPBESRZSA-N 1 0 388.224 2.739 20 0 GFADRO Cc1ccc(C[NH2+]CC[C@@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)s1 ZINC000721750977 655525153 /nfs/dbraw/zinc/52/51/53/655525153.db2.gz FEEHSGRUOZUBIL-OAHLLOKOSA-N 1 0 388.555 2.570 20 0 GFADRO COCCS(=O)(=O)CCC[NH2+]C1(c2cccc(Br)c2)CCC1 ZINC000727831391 655549949 /nfs/dbraw/zinc/54/99/49/655549949.db2.gz YXXFUKUJVZRKAA-UHFFFAOYSA-N 1 0 390.343 2.869 20 0 GFADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)/C=C\c1ccc(C)cc1Br ZINC000727864833 655550293 /nfs/dbraw/zinc/55/02/93/655550293.db2.gz CILVLUFAIZTAIC-PTZVLDCSSA-N 1 0 381.314 2.998 20 0 GFADRO Cn1nc(Br)c2c1ncnc2N1CCC(C[NH+]2CCCCC2)CC1 ZINC000728051646 655552151 /nfs/dbraw/zinc/55/21/51/655552151.db2.gz ZPCFXTMNDASQOC-UHFFFAOYSA-N 1 0 393.333 2.828 20 0 GFADRO O[C@H](C[NH2+][C@@H]1CCCN(c2ncccn2)C1)c1ccc(Br)cc1 ZINC000728941216 655560439 /nfs/dbraw/zinc/56/04/39/655560439.db2.gz GFDWEMWYDLZKKN-HZPDHXFCSA-N 1 0 377.286 2.531 20 0 GFADRO O[C@@H](CN1CCC[N@H+](C[C@H]2CCCO2)CC1)c1ccc(Br)cc1 ZINC000729031861 655561229 /nfs/dbraw/zinc/56/12/29/655561229.db2.gz RYSWHDWDKTYGLM-MSOLQXFVSA-N 1 0 383.330 2.669 20 0 GFADRO CCN(Cc1ccccc1Br)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000729504691 655565492 /nfs/dbraw/zinc/56/54/92/655565492.db2.gz KCPMCGRPSBFAJB-HZPDHXFCSA-N 1 0 396.329 2.844 20 0 GFADRO COC(=O)/C=C1\SCC(=O)N1CCC[N@H+](C)Cc1ccc(F)cc1Cl ZINC000730432839 655575997 /nfs/dbraw/zinc/57/59/97/655575997.db2.gz TXOWVKPFNKVTLG-SXGWCWSVSA-N 1 0 386.876 2.891 20 0 GFADRO O=C(Nc1cnn(-c2cc[nH+]cc2)c1)c1sccc1S(=O)(=O)C(F)F ZINC000730968968 655579873 /nfs/dbraw/zinc/57/98/73/655579873.db2.gz ZWOGXXZBUKMYLL-UHFFFAOYSA-N 1 0 384.389 2.577 20 0 GFADRO CC[NH+](CC)CCC[C@H](C)NC(=O)c1sccc1S(=O)(=O)C(F)F ZINC000731001466 655580453 /nfs/dbraw/zinc/58/04/53/655580453.db2.gz CAVKUNPSYRBZJA-NSHDSACASA-N 1 0 382.498 2.985 20 0 GFADRO CC[C@H](C)[N@H+](C)CCNS(=O)(=O)c1c(OC)ccc2nc(Cl)ccc21 ZINC000731447103 655583648 /nfs/dbraw/zinc/58/36/48/655583648.db2.gz QAVZLYSDHHTEOM-LBPRGKRZSA-N 1 0 385.917 2.905 20 0 GFADRO CC[N@H+](CC1CC1)CN1C(=O)N[C@@](C)(c2ccccc2Br)C1=O ZINC000732662890 655599806 /nfs/dbraw/zinc/59/98/06/655599806.db2.gz CRPPEUROGNIVHC-KRWDZBQOSA-N 1 0 380.286 2.906 20 0 GFADRO O=C1CCCCN1[C@@H]1CCC[N@@H+](C[C@H](O)c2ccc(Br)cc2)C1 ZINC000732809671 655602343 /nfs/dbraw/zinc/60/23/43/655602343.db2.gz XPVHFPFJVFOSQY-SJORKVTESA-N 1 0 381.314 2.959 20 0 GFADRO C[NH+](C)CC[C@H](NC(=O)CN1C(=S)N=NC1c1cccs1)C(C)(C)C ZINC000734823321 655635058 /nfs/dbraw/zinc/63/50/58/655635058.db2.gz ANCBVBJZLUSWLY-ZDUSSCGKSA-N 1 0 381.571 2.778 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)C(=O)Nc1cccc(C2SCCS2)c1)C1CC1 ZINC000735590701 655649182 /nfs/dbraw/zinc/64/91/82/655649182.db2.gz KLXMFPRZXNKHRA-OAHLLOKOSA-N 1 0 379.551 2.560 20 0 GFADRO CCCC[N@H+](C)CCNC(=O)C(=O)Nc1ccc2nc(SC)sc2c1 ZINC000735586739 655649216 /nfs/dbraw/zinc/64/92/16/655649216.db2.gz DEYKFIKETIDYBM-UHFFFAOYSA-N 1 0 380.539 2.805 20 0 GFADRO O=S(=O)(/C=C\c1ccc(Cl)cc1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000736344433 655662516 /nfs/dbraw/zinc/66/25/16/655662516.db2.gz LHAIIRISWCPYSG-AUWJEWJLSA-N 1 0 384.929 2.685 20 0 GFADRO COC(=O)N1CCC([NH2+]CCC(=O)Nc2cccc(Br)c2)CC1 ZINC000736352438 655662680 /nfs/dbraw/zinc/66/26/80/655662680.db2.gz RPIAXZMRJWFQOE-UHFFFAOYSA-N 1 0 384.274 2.598 20 0 GFADRO Cn1nnc(Br)c1C(=O)OCc1cccc(C[NH+]2CCCCC2)c1 ZINC000840577849 661171971 /nfs/dbraw/zinc/17/19/71/661171971.db2.gz ZYSKVUBTODBDRM-UHFFFAOYSA-N 1 0 393.285 2.921 20 0 GFADRO CCC[N@H+](Cn1cc(I)cn1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000740859907 655699969 /nfs/dbraw/zinc/69/99/69/655699969.db2.gz VTRRUGMDWRPVRV-MGPQQGTHSA-N 1 0 389.281 2.971 20 0 GFADRO CN(C(=O)c1c[nH]c(=O)c(Br)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000742073077 655709822 /nfs/dbraw/zinc/70/98/22/655709822.db2.gz ZOBCRRFSYCHNDS-UHFFFAOYSA-N 1 0 394.269 2.767 20 0 GFADRO S=c1sc(-c2ccccc2)nn1CN1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000742162713 655710814 /nfs/dbraw/zinc/71/08/14/655710814.db2.gz XXULWAGOFYTRIX-HNNXBMFYSA-N 1 0 376.551 2.953 20 0 GFADRO C[NH+]1CCC2(CCN2C(=O)c2ccc(F)cc2I)CC1 ZINC000742185434 655711511 /nfs/dbraw/zinc/71/15/11/655711511.db2.gz HVWKLQJXQCBNRY-UHFFFAOYSA-N 1 0 388.224 2.741 20 0 GFADRO C[C@H]1CCC[N@@H+]1CCNC(=O)Cc1csc(NC(=O)c2cccs2)n1 ZINC000742242546 655712797 /nfs/dbraw/zinc/71/27/97/655712797.db2.gz XOIARPHBFCCRFQ-LBPRGKRZSA-N 1 0 378.523 2.600 20 0 GFADRO COc1ccc2nc(Cl)ccc2c1S(=O)(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000742308302 655714999 /nfs/dbraw/zinc/71/49/99/655714999.db2.gz FRQCMBCUSXJEBI-VXGBXAGGSA-N 1 0 383.901 2.658 20 0 GFADRO CC[NH+](CC)[C@H]1CCN(C(=O)COc2ccc(C=O)cc2Br)C1 ZINC000742900609 655723304 /nfs/dbraw/zinc/72/33/04/655723304.db2.gz CDXDLNWUUIDUCM-AWEZNQCLSA-N 1 0 383.286 2.583 20 0 GFADRO CC[C@H]1C[C@@H](C)C[N@@H+]1CN1C(=O)C(=O)N(c2ccc(Br)cc2)C1=O ZINC000744442392 655740169 /nfs/dbraw/zinc/74/01/69/655740169.db2.gz ZILUWSZMUBXEFL-YPMHNXCESA-N 1 0 394.269 2.822 20 0 GFADRO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)c2cc(S(C)(=O)=O)ccc2Cl)C1 ZINC000746342790 655760333 /nfs/dbraw/zinc/76/03/33/655760333.db2.gz DUFLLTHTAVMREN-CQSZACIVSA-N 1 0 384.929 2.547 20 0 GFADRO CC[NH+](CC)CCO[C@H]1CCN(S(=O)(=O)c2ccc(Cl)nc2Cl)C1 ZINC000747286144 655776323 /nfs/dbraw/zinc/77/63/23/655776323.db2.gz SMRQVDOSHGQSPZ-LBPRGKRZSA-N 1 0 396.340 2.510 20 0 GFADRO CC(=O)N1CSC[C@H]1C(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000747371857 655778018 /nfs/dbraw/zinc/77/80/18/655778018.db2.gz AFJQGKFWANWHSF-SJORKVTESA-N 1 0 381.929 2.515 20 0 GFADRO Cc1nc(CNC(=S)NCC2CC[NH+](C)CC2)sc1Br ZINC000840781487 661187188 /nfs/dbraw/zinc/18/71/88/661187188.db2.gz VCBLJRQFVCDFER-UHFFFAOYSA-N 1 0 377.377 2.520 20 0 GFADRO C[NH+]1CCC(CNC(=S)NCc2c(Cl)cccc2-n2ccnc2)CC1 ZINC000840768589 661185759 /nfs/dbraw/zinc/18/57/59/661185759.db2.gz VKTIXCQNUHDAAR-UHFFFAOYSA-N 1 0 377.945 2.832 20 0 GFADRO CCN(C[C@H]1CCN(C(=S)NCC(C)(C)C[NH+](C)C)C1)CC(F)(F)F ZINC000748084727 655787182 /nfs/dbraw/zinc/78/71/82/655787182.db2.gz KQRBDZNSKWLBEW-CQSZACIVSA-N 1 0 382.540 2.655 20 0 GFADRO COC(=O)c1nn(CN2CCC[N@@H+](C(C)(C)C)CC2)c(C)c1Br ZINC000748084323 655787246 /nfs/dbraw/zinc/78/72/46/655787246.db2.gz ZTTHCZUOAJVJAV-UHFFFAOYSA-N 1 0 387.322 2.504 20 0 GFADRO COc1cc(Br)ccc1C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000748847872 655796160 /nfs/dbraw/zinc/79/61/60/655796160.db2.gz NIAWCGSJTJUEAU-HNNXBMFYSA-N 1 0 397.313 2.831 20 0 GFADRO CCc1c(Cl)nc(CS(C)(=O)=O)nc1NCC[NH+]1[C@H](C)CCC[C@H]1C ZINC000749096178 655800029 /nfs/dbraw/zinc/80/00/29/655800029.db2.gz GEUWIBKHHFWANT-CHWSQXEVSA-N 1 0 388.965 2.912 20 0 GFADRO O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)c1c(F)cccc1Br ZINC000749389090 655804118 /nfs/dbraw/zinc/80/41/18/655804118.db2.gz HIPSCJFFFPNCDK-ZDUSSCGKSA-N 1 0 385.277 2.961 20 0 GFADRO O=C(NCc1ccccc1C[NH+]1CCC(O)CC1)NC[C@H]1CC1(Cl)Cl ZINC000749540801 655805736 /nfs/dbraw/zinc/80/57/36/655805736.db2.gz AAHMJTAQSMELSY-OAHLLOKOSA-N 1 0 386.323 2.636 20 0 GFADRO NC(=O)C1([NH2+]Cc2ccnc(-c3ccc(Br)cc3)n2)CCCC1 ZINC000750109874 655811362 /nfs/dbraw/zinc/81/13/62/655811362.db2.gz YABYEBAMRBSSOC-UHFFFAOYSA-N 1 0 375.270 2.794 20 0 GFADRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)S(=O)(=O)c1cc2ccc(Cl)nc2cc1F ZINC000750166774 655812211 /nfs/dbraw/zinc/81/22/11/655812211.db2.gz ZNJQYMPVFBSCJO-IAQYHMDHSA-N 1 0 385.892 2.988 20 0 GFADRO CC1(C)CC(NC(=O)c2cc(I)c[nH]2)CC(C)(C)[NH2+]1 ZINC000750234042 655812881 /nfs/dbraw/zinc/81/28/81/655812881.db2.gz YZEGRWABWYBJJQ-UHFFFAOYSA-N 1 0 375.254 2.658 20 0 GFADRO Cc1cc(CCC(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)ccc1Br ZINC000751366339 655825688 /nfs/dbraw/zinc/82/56/88/655825688.db2.gz XXLIKIZAZSPSRQ-CVEARBPZSA-N 1 0 381.314 2.670 20 0 GFADRO O[C@@H](CN1CCC[N@H+](C[C@H]2CCCO2)CC1)c1ccccc1Br ZINC000751959252 655836826 /nfs/dbraw/zinc/83/68/26/655836826.db2.gz ULYNTHLSAROIAZ-QAPCUYQASA-N 1 0 383.330 2.669 20 0 GFADRO O=C([C@H]1CCC[N@@H+](C[C@@H](O)c2ccccc2Br)C1)N1CCCC1 ZINC000751987659 655837981 /nfs/dbraw/zinc/83/79/81/655837981.db2.gz KVVQPFVQKHYUMI-WMLDXEAASA-N 1 0 381.314 2.817 20 0 GFADRO Cn1c(Cl)nc(Cl)c1C[NH2+]C[C@H](c1cccs1)N1CCN(C)CC1 ZINC000752254196 655841588 /nfs/dbraw/zinc/84/15/88/655841588.db2.gz PYWHMPUMDFBPSP-GFCCVEGCSA-N 1 0 388.368 2.867 20 0 GFADRO Cc1ccc([C@@H](C)[NH2+]CC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)s1 ZINC000754664092 655871035 /nfs/dbraw/zinc/87/10/35/655871035.db2.gz REIJVNNSPCNYEG-CYBMUJFWSA-N 1 0 381.523 2.596 20 0 GFADRO C[N@H+](CCCOC(=O)NC(N)=O)Cc1cc(Br)ccc1Cl ZINC000755207960 655881134 /nfs/dbraw/zinc/88/11/34/655881134.db2.gz VKNWFFYRSNDRFC-UHFFFAOYSA-N 1 0 378.654 2.729 20 0 GFADRO CC(C)[C@@H](C[NH+](C)C)NC(=O)c1cn(-c2ccc(Br)cc2)cn1 ZINC000755902615 655891089 /nfs/dbraw/zinc/89/10/89/655891089.db2.gz HSRHKJDNBZNJSX-OAHLLOKOSA-N 1 0 379.302 2.951 20 0 GFADRO CCOC(=O)/C=C\C[NH+]1CCC(C(=O)Nc2ccc(Br)cn2)CC1 ZINC000756094961 655894617 /nfs/dbraw/zinc/89/46/17/655894617.db2.gz SLJNBYVTMYEDMB-ARJAWSKDSA-N 1 0 396.285 2.614 20 0 GFADRO C[NH+](C)CCCNC(=S)NCCCOc1ncc(C(F)(F)F)cc1Cl ZINC000756852453 655906153 /nfs/dbraw/zinc/90/61/53/655906153.db2.gz RDYDEUAOSLXMOJ-UHFFFAOYSA-N 1 0 398.882 2.939 20 0 GFADRO COC(=O)c1cc(S(=O)(=O)NC[C@H](C)C[NH+]2CCCCC2)ccc1Cl ZINC000757488617 655912358 /nfs/dbraw/zinc/91/23/58/655912358.db2.gz ZKYFOQWFHOQRKS-ZDUSSCGKSA-N 1 0 388.917 2.527 20 0 GFADRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)Nc1cc2c(cc1Br)OCCO2 ZINC000757797287 655916648 /nfs/dbraw/zinc/91/66/48/655916648.db2.gz VAXKOOSWDFTGHB-QMTHXVAHSA-N 1 0 396.285 2.825 20 0 GFADRO O=S(=O)(C(F)F)N1CCC(C[NH2+]C/C=C\c2ccc(F)cc2F)CC1 ZINC000757847864 655917574 /nfs/dbraw/zinc/91/75/74/655917574.db2.gz QEFZAMUWPRXJSH-UPHRSURJSA-N 1 0 380.407 2.832 20 0 GFADRO O=C(c1cccnc1I)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000758108329 655923028 /nfs/dbraw/zinc/92/30/28/655923028.db2.gz FXJQPZDGBXFAGS-CYBMUJFWSA-N 1 0 399.276 2.777 20 0 GFADRO O=C(NCCO)C1CC[NH+](Cc2cccc3c(Br)cccc23)CC1 ZINC000759345088 655953293 /nfs/dbraw/zinc/95/32/93/655953293.db2.gz YKLMJBAXTOFCNB-UHFFFAOYSA-N 1 0 391.309 2.923 20 0 GFADRO C[C@H]([NH2+]C1CCN(CCS(C)(=O)=O)CC1)c1cc(Cl)c(N)c(Cl)c1 ZINC000760159098 655970453 /nfs/dbraw/zinc/97/04/53/655970453.db2.gz OKWLIRHRNGPNSR-NSHDSACASA-N 1 0 394.368 2.735 20 0 GFADRO C[NH+]1CCC(CNC(=S)N[C@@H]2CCN(c3ccc(F)c(Cl)c3)C2)CC1 ZINC000760503774 655982946 /nfs/dbraw/zinc/98/29/46/655982946.db2.gz RWTROSMLPDZBMX-CQSZACIVSA-N 1 0 384.952 2.864 20 0 GFADRO C[NH+]1CCC(CNC(=S)N2CCC3(CC2)OCCc2ccsc23)CC1 ZINC000760503658 655982952 /nfs/dbraw/zinc/98/29/52/655982952.db2.gz QVUCNHADWMVUNB-UHFFFAOYSA-N 1 0 379.595 2.828 20 0 GFADRO C[C@]1(c2cccc(Br)c2)NC(=O)N([C@@H]2CC[N@@H+]3CCCC[C@H]23)C1=O ZINC000761123334 655999405 /nfs/dbraw/zinc/99/94/05/655999405.db2.gz HMTFOTDFLCNRIA-IIDMSEBBSA-N 1 0 392.297 2.843 20 0 GFADRO C[C@@H]1C[C@H](N2C(=O)[C@H](c3cccc(Br)c3)N(C)C2=O)CC[N@@H+]1C ZINC000761282253 656007699 /nfs/dbraw/zinc/00/76/99/656007699.db2.gz PPJYHASKELDSMM-DFBGVHRSSA-N 1 0 380.286 2.867 20 0 GFADRO CC(C)[NH+](CCS[C@@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1)C(C)C ZINC000762198996 656035892 /nfs/dbraw/zinc/03/58/92/656035892.db2.gz KIRXPTHTTNRISV-AWEZNQCLSA-N 1 0 387.571 2.513 20 0 GFADRO C[C@@H]1CCC[N@@H+]1CCNC(=O)c1cc(I)ccc1F ZINC000762241222 656037273 /nfs/dbraw/zinc/03/72/73/656037273.db2.gz QXDCLYOFDBBSBX-SNVBAGLBSA-N 1 0 376.213 2.644 20 0 GFADRO Cc1sc(Cl)nc1C(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000762865141 656061553 /nfs/dbraw/zinc/06/15/53/656061553.db2.gz OORNBMYJBAQJCE-UHFFFAOYSA-N 1 0 379.913 2.992 20 0 GFADRO C[C@]1(c2ccc(Br)cc2)NC(=O)N(C[N@@H+]2CC[C@@H](C3CC3)C2)C1=O ZINC000763331794 656079414 /nfs/dbraw/zinc/07/94/14/656079414.db2.gz JAZXGGVKHNPXPE-FZKQIMNGSA-N 1 0 392.297 2.906 20 0 GFADRO C[C@@H]([NH2+][C@H](CCO)C1CCOCC1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000763558203 656085990 /nfs/dbraw/zinc/08/59/90/656085990.db2.gz JDVOVZHHOPHQSV-MLGOLLRUSA-N 1 0 377.453 2.511 20 0 GFADRO C[C@H]([NH2+]C[C@H]1CC2(CC2)C(=O)O1)c1cc2c(cc1Br)OCCO2 ZINC000763739615 656092205 /nfs/dbraw/zinc/09/22/05/656092205.db2.gz WQDLJCIWVSSQAK-WDEREUQCSA-N 1 0 382.254 2.967 20 0 GFADRO C[C@@H]1CN(C(=O)/C=C/c2ccc(Br)o2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000764076457 656100361 /nfs/dbraw/zinc/10/03/61/656100361.db2.gz RTJZEWNPUXOSHT-UKWDMRDTSA-N 1 0 396.329 2.540 20 0 GFADRO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)Nc1ccc2cc(Br)ccc2c1 ZINC000764254473 656106199 /nfs/dbraw/zinc/10/61/99/656106199.db2.gz RIDLPCYKBXPGQT-LBPRGKRZSA-N 1 0 392.297 2.997 20 0 GFADRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=S)NCc2ccon2)CC1 ZINC000764453792 656110825 /nfs/dbraw/zinc/11/08/25/656110825.db2.gz TVXRRZGZTMEOJY-UHFFFAOYSA-N 1 0 379.917 2.957 20 0 GFADRO CCCN(CC[NH+](C)C)C(=O)c1ccnc(Cl)c1I ZINC000764837414 656121321 /nfs/dbraw/zinc/12/13/21/656121321.db2.gz NTWRCZHDLKOGEZ-UHFFFAOYSA-N 1 0 395.672 2.753 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCN(CC(F)(F)F)C1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000765506253 656144223 /nfs/dbraw/zinc/14/42/23/656144223.db2.gz ZJOKXCJSOFSHHW-CMPLNLGQSA-N 1 0 386.386 2.970 20 0 GFADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)N1CCc2c(Cl)cc(Cl)cc2C1 ZINC000765755231 656151011 /nfs/dbraw/zinc/15/10/11/656151011.db2.gz PSYBJYYVAZMXDC-HUUCEWRRSA-N 1 0 384.307 2.924 20 0 GFADRO Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1CN(CC[NH3+])CCO ZINC000841057648 661229958 /nfs/dbraw/zinc/22/99/58/661229958.db2.gz BUJFTVHSZPNDHW-UHFFFAOYSA-N 1 0 376.810 2.606 20 0 GFADRO C[NH+](C)C1CCN(CCNC(=O)N2Cc3ccc(Br)cc3C2)CC1 ZINC000765898701 656154335 /nfs/dbraw/zinc/15/43/35/656154335.db2.gz SZBHAJWNBJDHST-UHFFFAOYSA-N 1 0 395.345 2.500 20 0 GFADRO C[C@@H](C[NH2+][C@@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1)C(C)(C)C ZINC000766008212 656157408 /nfs/dbraw/zinc/15/74/08/656157408.db2.gz QXLTUXIROQNZJX-KBPBESRZSA-N 1 0 390.571 2.745 20 0 GFADRO Cn1cc([C@H](O)C[C@@H]2CCC[N@@H+]2C[C@@H](O)c2ccc(Br)cc2)cn1 ZINC000766949371 656189368 /nfs/dbraw/zinc/18/93/68/656189368.db2.gz JKXBWDWWEYGIPE-RCCFBDPRSA-N 1 0 394.313 2.804 20 0 GFADRO C[C@@]1(C[NH3+])CCN(C(=O)Nc2cnc(Br)c(Br)c2)C1 ZINC000841141693 661236848 /nfs/dbraw/zinc/23/68/48/661236848.db2.gz HONGLSGSOSVRDV-LBPRGKRZSA-N 1 0 392.095 2.809 20 0 GFADRO C[NH2+]C[C@H]1CCN(C(=O)C(=O)Nc2cccc(Cl)c2SC(F)F)C1 ZINC000841170798 661241190 /nfs/dbraw/zinc/24/11/90/661241190.db2.gz JBFVUSBYDNYVAS-SECBINFHSA-N 1 0 377.844 2.661 20 0 GFADRO COCC1(CNC(=O)Nc2cnc(Cl)c(Br)c2)CC[NH2+]CC1 ZINC000841187179 661242545 /nfs/dbraw/zinc/24/25/45/661242545.db2.gz OQRYRTQIHHISFP-UHFFFAOYSA-N 1 0 391.697 2.635 20 0 GFADRO CN(C(=O)C(=O)Nc1ccc(Cl)cc1Br)C1CCC([NH3+])CC1 ZINC000841188358 661242796 /nfs/dbraw/zinc/24/27/96/661242796.db2.gz AITRTHJZUHRZLP-UHFFFAOYSA-N 1 0 388.693 2.769 20 0 GFADRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)Nc1ccc2cc(Br)ccc2c1 ZINC000841199578 661243855 /nfs/dbraw/zinc/24/38/55/661243855.db2.gz GMEVMBRSCUJJIJ-RYUDHWBXSA-N 1 0 390.281 2.737 20 0 GFADRO C[NH2+]CCN(C)C(=O)C(=O)Nc1ccccc1SC[C@H]1CC1(Cl)Cl ZINC000841203010 661243989 /nfs/dbraw/zinc/24/39/89/661243989.db2.gz KAIARQMZAKEKBK-LLVKDONJSA-N 1 0 390.336 2.589 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)Nc2cccc(Cl)c2SC(F)F)C1 ZINC000841205240 661244514 /nfs/dbraw/zinc/24/45/14/661244514.db2.gz BKWRDIRHYGFMCK-RKDXNWHRSA-N 1 0 377.844 2.789 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)C(=O)Nc2cccc(Cl)c2SC(F)F)C1 ZINC000841205237 661244516 /nfs/dbraw/zinc/24/45/16/661244516.db2.gz BKWRDIRHYGFMCK-BDAKNGLRSA-N 1 0 377.844 2.789 20 0 GFADRO C[NH+](C)CCOC1CCN(Cc2ccccc2I)CC1 ZINC000769384602 656273369 /nfs/dbraw/zinc/27/33/69/656273369.db2.gz RQOBLDAIHWMTHK-UHFFFAOYSA-N 1 0 388.293 2.834 20 0 GFADRO COCC[N@H+](CCC(=O)OC)Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000769425685 656275951 /nfs/dbraw/zinc/27/59/51/656275951.db2.gz SUMVILQFXHFEBY-UHFFFAOYSA-N 1 0 396.285 2.646 20 0 GFADRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)Nc1ccc2cc(Br)ccc2c1 ZINC000841218639 661245253 /nfs/dbraw/zinc/24/52/53/661245253.db2.gz UBUOFZMJMURBOS-ZBEGNZNMSA-N 1 0 390.281 2.655 20 0 GFADRO O=C(Nc1cccc(Cl)c1SC(F)F)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000841225187 661245764 /nfs/dbraw/zinc/24/57/64/661245764.db2.gz ULZYNOGCANQNKR-AOOOYVTPSA-N 1 0 389.855 2.946 20 0 GFADRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1nccn2c(Br)cnc12 ZINC000769719647 656287510 /nfs/dbraw/zinc/28/75/10/656287510.db2.gz KHROMNGOSBYYGN-JHJVBQTASA-N 1 0 394.317 2.588 20 0 GFADRO C[NH+]1CCN(CCC(C)(C)NS(=O)(=O)/C=C\c2ccccc2Cl)CC1 ZINC000770297366 656315665 /nfs/dbraw/zinc/31/56/65/656315665.db2.gz BDHSTTLQOSJFTI-NVNXTCNLSA-N 1 0 385.961 2.646 20 0 GFADRO C[C@H](CNC(=O)c1cccnc1I)[N@@H+]1CCC[C@@H](C)C1 ZINC000770553769 656323128 /nfs/dbraw/zinc/32/31/28/656323128.db2.gz ZFAUWTXGAHVXJA-VXGBXAGGSA-N 1 0 387.265 2.536 20 0 GFADRO Cc1cc(NC(=O)N2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)cnc1Br ZINC000841182450 661242290 /nfs/dbraw/zinc/24/22/90/661242290.db2.gz VFPXIBMRBZIKHQ-KGLIPLIRSA-N 1 0 383.290 2.513 20 0 GFADRO O=C(NCc1ccc(Br)cc1F)Nc1cnc2c(c1)C[NH2+]CC2 ZINC000841321858 661251964 /nfs/dbraw/zinc/25/19/64/661251964.db2.gz MOSGMFOPFRQQIP-UHFFFAOYSA-N 1 0 379.233 2.951 20 0 GFADRO O=C(NCC[NH+]1CCCCC1)c1cc(=O)c2cc(Br)ccc2o1 ZINC000841380783 661256468 /nfs/dbraw/zinc/25/64/68/661256468.db2.gz DIUGGAXSPZTNPZ-UHFFFAOYSA-N 1 0 379.254 2.771 20 0 GFADRO C[NH+](C)[C@]1(CNC(=O)C[C@H](O)c2cc(Cl)cc(Cl)c2)CCSC1 ZINC000772745762 656387852 /nfs/dbraw/zinc/38/78/52/656387852.db2.gz LHPPVHWSLUWAAQ-HOCLYGCPSA-N 1 0 377.337 2.970 20 0 GFADRO C[C@@H]([NH2+]CCS(=O)(=O)N1CCOCC1)c1ccc(-c2cccs2)cc1 ZINC000772947419 656395096 /nfs/dbraw/zinc/39/50/96/656395096.db2.gz SBOVCAWIDWTFRW-OAHLLOKOSA-N 1 0 380.535 2.728 20 0 GFADRO COC(=O)CS(=O)(=O)Cc1ccc(C[NH2+][C@H](C)Cc2ccsc2)cc1 ZINC000773034967 656397359 /nfs/dbraw/zinc/39/73/59/656397359.db2.gz HVPZRNUXRGOUJV-CQSZACIVSA-N 1 0 381.519 2.557 20 0 GFADRO C[C@H]([NH2+]CCC1CCS(=O)(=O)CC1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000773145675 656401163 /nfs/dbraw/zinc/40/11/63/656401163.db2.gz LMTNLRMVUIEULC-LBPRGKRZSA-N 1 0 395.493 2.548 20 0 GFADRO CCN(CCC[NH+](C)C)C(=O)c1cc(=O)c2cc(Br)ccc2o1 ZINC000841425858 661263488 /nfs/dbraw/zinc/26/34/88/661263488.db2.gz DRHMTGIRBYVJIC-UHFFFAOYSA-N 1 0 381.270 2.969 20 0 GFADRO CCOC(=O)N1CCC([NH2+]C[C@@H](O)c2ccc(F)c(Br)c2)CC1 ZINC000774580957 656538790 /nfs/dbraw/zinc/53/87/90/656538790.db2.gz WUEDDSVGTMDSBX-OAHLLOKOSA-N 1 0 389.265 2.832 20 0 GFADRO NC(=O)CC[N@@H+](Cc1ccccc1)C[C@@H](O)c1ccc(F)c(Br)c1 ZINC000774591346 656538955 /nfs/dbraw/zinc/53/89/55/656538955.db2.gz FXZWYBOKKNXPRY-QGZVFWFLSA-N 1 0 395.272 2.999 20 0 GFADRO O[C@H](C[NH2+][C@@H]1CCCN(c2ncccn2)C1)c1ccc(F)c(Br)c1 ZINC000774614077 656540853 /nfs/dbraw/zinc/54/08/53/656540853.db2.gz KFYOFDPRONCISS-CZUORRHYSA-N 1 0 395.276 2.670 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(=O)NCCc2ccc(Cl)cc2Cl)C1 ZINC000774725965 656549632 /nfs/dbraw/zinc/54/96/32/656549632.db2.gz SNIYALCBCWMZQD-HUUCEWRRSA-N 1 0 386.323 2.641 20 0 GFADRO NC(=O)C[C@@H]([NH2+]Cc1nc2ccc(Br)cc2s1)C1CCOCC1 ZINC000774997111 656582628 /nfs/dbraw/zinc/58/26/28/656582628.db2.gz LCMAIGKFFFZCIU-CYBMUJFWSA-N 1 0 398.326 2.819 20 0 GFADRO C[NH+](C)C1(C(=O)N2CCO[C@H](c3ccc(F)c(Br)c3)C2)CCC1 ZINC000775170692 656608802 /nfs/dbraw/zinc/60/88/02/656608802.db2.gz DEPWHRFHLAYRAH-HNNXBMFYSA-N 1 0 385.277 2.972 20 0 GFADRO CNC(=O)[C@H](Cc1c[nH]c2ccccc12)[NH2+][C@@H]1CC[C@H]2SCCS[C@H]12 ZINC000775395614 656637230 /nfs/dbraw/zinc/63/72/30/656637230.db2.gz WHSPLNGGLUOLIT-XMTFNYHQSA-N 1 0 375.563 2.794 20 0 GFADRO C[C@@H]([NH2+]CCCCCS(C)(=O)=O)[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000775586726 656650857 /nfs/dbraw/zinc/65/08/57/656650857.db2.gz PJNFWNZCVMCWIL-CVEARBPZSA-N 1 0 376.563 2.969 20 0 GFADRO CCCC[N@H+](C)CCNS(=O)(=O)c1ccc(Br)c(C(C)=O)c1 ZINC000775703109 656668104 /nfs/dbraw/zinc/66/81/04/656668104.db2.gz KDHWDMLABGTIPD-UHFFFAOYSA-N 1 0 391.331 2.662 20 0 GFADRO CC[C@H](Cc1ccccc1Br)[N@H+](C)CC(=O)N1CCO[C@H](C)C1 ZINC000775838905 656685056 /nfs/dbraw/zinc/68/50/56/656685056.db2.gz SFWVWCOLVDHIQO-GDBMZVCRSA-N 1 0 383.330 2.949 20 0 GFADRO COC(=O)[C@@H]1CCCC[C@@]1(C)[NH2+]Cc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000775993708 656701201 /nfs/dbraw/zinc/70/12/01/656701201.db2.gz WPBOLOLEHURWPN-WMLDXEAASA-N 1 0 375.437 2.894 20 0 GFADRO Cn1c(Cl)nc(Cl)c1C[NH2+]C[C@@H](Cc1ccccc1Cl)C(N)=O ZINC000776940473 656801756 /nfs/dbraw/zinc/80/17/56/656801756.db2.gz XJSYYXLJKOTZQQ-SNVBAGLBSA-N 1 0 375.687 2.814 20 0 GFADRO Cc1cc(Br)cc(NC(=O)C(=O)NC[C@@H](C)[NH+]2CCCCC2)c1 ZINC000777127253 656812043 /nfs/dbraw/zinc/81/20/43/656812043.db2.gz CJFISPRHGWJPAT-CYBMUJFWSA-N 1 0 382.302 2.687 20 0 GFADRO COc1ccc(S(=O)(=O)N2CCC([NH2+][C@H]3CC[C@@H](SC)C3)CC2)cc1 ZINC000779074004 656898606 /nfs/dbraw/zinc/89/86/06/656898606.db2.gz WYJDPNXUXLHLAK-DOTOQJQBSA-N 1 0 384.567 2.722 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2Cn1nc(C(F)(F)F)sc1=S ZINC000780443486 657006474 /nfs/dbraw/zinc/00/64/74/657006474.db2.gz JYZLVFKCTHHJMQ-VWYCJHECSA-N 1 0 382.477 2.834 20 0 GFADRO O[C@H]1CC[N@H+](Cc2ccccc2CNC(=S)NCCc2cccs2)C1 ZINC000781543064 657062753 /nfs/dbraw/zinc/06/27/53/657062753.db2.gz GGYGDUBWTYOONT-KRWDZBQOSA-N 1 0 375.563 2.522 20 0 GFADRO COc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)nc1Br ZINC000781569825 657063742 /nfs/dbraw/zinc/06/37/42/657063742.db2.gz PBNZATLWVYEWCI-CQSZACIVSA-N 1 0 390.281 2.857 20 0 GFADRO OCC[N@H+](Cc1nnc(-c2ccc(Br)s2)o1)C1CCOCC1 ZINC000781983317 657093746 /nfs/dbraw/zinc/09/37/46/657093746.db2.gz SYYZHVNVKIXOGY-UHFFFAOYSA-N 1 0 388.287 2.534 20 0 GFADRO CCOC(=O)c1nn(CN2CC[N@H+](C)C[C@H]2c2ccccc2)c(=S)s1 ZINC000782807055 657182260 /nfs/dbraw/zinc/18/22/60/657182260.db2.gz STXXSSFTYDZOAW-AWEZNQCLSA-N 1 0 378.523 2.797 20 0 GFADRO Cc1cc(NC(=O)[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cnc1Br ZINC000783631091 657248148 /nfs/dbraw/zinc/24/81/48/657248148.db2.gz MQJPLBZMSSKRRS-SFHVURJKSA-N 1 0 390.281 2.728 20 0 GFADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=S)Nc1cccc(OC(F)(F)F)c1 ZINC000783736102 657256650 /nfs/dbraw/zinc/25/66/50/657256650.db2.gz UNZCSTMTVNXAMH-LBPRGKRZSA-N 1 0 376.448 2.508 20 0 GFADRO C[NH+](C)C1(CNC(=O)c2cnn(-c3ccccc3)c2Br)CCC1 ZINC000783749566 657258825 /nfs/dbraw/zinc/25/88/25/657258825.db2.gz KCOHVHXEIKCAIY-UHFFFAOYSA-N 1 0 377.286 2.849 20 0 GFADRO CC[C@](C)(CC(=O)OC)[NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000784339586 657301897 /nfs/dbraw/zinc/30/18/97/657301897.db2.gz MQVRGNFFHHMUQB-CZUORRHYSA-N 1 0 392.265 2.649 20 0 GFADRO Cc1cc(Br)cn2c(C[NH2+]CCCNc3ncccn3)cnc12 ZINC000784575827 657317042 /nfs/dbraw/zinc/31/70/42/657317042.db2.gz YXZPPIZKFDQBLT-UHFFFAOYSA-N 1 0 375.274 2.787 20 0 GFADRO Cc1ccc([C@H](CN2CCOCC2)[NH2+]Cc2cc(Br)nn2C)cc1 ZINC000785414151 657362946 /nfs/dbraw/zinc/36/29/46/657362946.db2.gz TZNMGMYDYGHDSM-KRWDZBQOSA-N 1 0 393.329 2.654 20 0 GFADRO C[C@H]([NH2+]Cc1cc(Br)nn1C)c1cccc(N2CCOC2=O)c1 ZINC000785438838 657364578 /nfs/dbraw/zinc/36/45/78/657364578.db2.gz KOXRSXQWOMRILE-NSHDSACASA-N 1 0 379.258 2.990 20 0 GFADRO Cn1nc(Br)cc1C[NH2+][C@H]1CCN(C(=O)CCc2ccccc2)C1 ZINC000785486059 657368228 /nfs/dbraw/zinc/36/82/28/657368228.db2.gz RFRDAGGSJHVOIH-HNNXBMFYSA-N 1 0 391.313 2.506 20 0 GFADRO Cn1nc(Br)cc1C[NH2+]CCOc1ncccc1C(F)(F)F ZINC000785498713 657369844 /nfs/dbraw/zinc/36/98/44/657369844.db2.gz VURJEHPIIRHPEO-UHFFFAOYSA-N 1 0 379.180 2.765 20 0 GFADRO C[NH+]1CCC(n2ccc(NC(=O)N[C@@H]3CC[C@H]4SCCS[C@H]34)n2)CC1 ZINC000786699311 657453626 /nfs/dbraw/zinc/45/36/26/657453626.db2.gz MCXYPHQMMNPJOW-IIAWOOMASA-N 1 0 381.571 2.651 20 0 GFADRO CC(C)(C)OC(=O)N1CCC(C[NH2+]Cc2ccc(S(C)(=O)=O)s2)CC1 ZINC000786827925 657472146 /nfs/dbraw/zinc/47/21/46/657472146.db2.gz OWHGESNBDDZTJK-UHFFFAOYSA-N 1 0 388.555 2.888 20 0 GFADRO C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1[NH2+]Cc1ccc(S(C)(=O)=O)s1 ZINC000786964187 657497025 /nfs/dbraw/zinc/49/70/25/657497025.db2.gz VTKQXVQJPTUWQJ-OCCSQVGLSA-N 1 0 388.555 2.887 20 0 GFADRO CC[NH+](CC)[C@H](CNC(=O)c1cc(Br)n[nH]1)c1cccc(OC)c1 ZINC000788271503 657686888 /nfs/dbraw/zinc/68/68/88/657686888.db2.gz NCFJNJUOBLMENS-OAHLLOKOSA-N 1 0 395.301 2.994 20 0 GFADRO COC(=O)c1sc(S(=O)(=O)NCC[NH+](C(C)C)C(C)C)c(C)c1Cl ZINC000788584542 657747381 /nfs/dbraw/zinc/74/73/81/657747381.db2.gz JKGMRXQMSCMOTG-UHFFFAOYSA-N 1 0 396.962 2.894 20 0 GFADRO CCOCC(=O)OC1CC[NH+](CCOc2cccc(Br)c2)CC1 ZINC000789795278 657890956 /nfs/dbraw/zinc/89/09/56/657890956.db2.gz YFZWMDHHZLGIPI-UHFFFAOYSA-N 1 0 386.286 2.872 20 0 GFADRO CN(Cc1cccc(Br)c1)CN1C[C@]2(C[NH+]3CCC2CC3)OC1=O ZINC000790371927 657961006 /nfs/dbraw/zinc/96/10/06/657961006.db2.gz QRQMWTZYEGDYBT-SFHVURJKSA-N 1 0 394.313 2.755 20 0 GFADRO COC(=O)c1c2cnn(C[N@H+](C)C[C@@H]3CCOC3)c2ccc1Br ZINC000790443700 657980367 /nfs/dbraw/zinc/98/03/67/657980367.db2.gz OBOQBUIIRPHNDD-NSHDSACASA-N 1 0 382.258 2.511 20 0 GFADRO Cc1nn(C)c(C[NH2+]C[C@H](C)CNC(=O)OC(C)(C)C)c1Br ZINC000790477557 657990649 /nfs/dbraw/zinc/99/06/49/657990649.db2.gz FPECEBSUKOGTBD-JTQLQIEISA-N 1 0 375.311 2.741 20 0 GFADRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)Cc2cccnc2Br)[C@@H](C)C1 ZINC000791368871 658087812 /nfs/dbraw/zinc/08/78/12/658087812.db2.gz XIGLXQRKSOGMQU-GOEBONIOSA-N 1 0 398.345 2.640 20 0 GFADRO O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)c1nc(Br)ccc1F ZINC000791465527 658101892 /nfs/dbraw/zinc/10/18/92/658101892.db2.gz BKOBTWIGWPEBAK-ZDUSSCGKSA-N 1 0 378.245 2.988 20 0 GFADRO C[NH+]1CCN(c2ccccc2NC(=O)c2nc(Br)ccc2F)CC1 ZINC000791472976 658105057 /nfs/dbraw/zinc/10/50/57/658105057.db2.gz OPXHMHGZXGDHME-UHFFFAOYSA-N 1 0 393.260 2.987 20 0 GFADRO C[NH+](C)CCCOC(=O)CCC[S@@](=O)c1ccc(Br)cc1 ZINC000791913850 658204962 /nfs/dbraw/zinc/20/49/62/658204962.db2.gz XEPNJPNARYXSSR-OAQYLSRUSA-N 1 0 376.316 2.832 20 0 GFADRO C[NH+](C)CCOc1cccc(CNC(=O)c2nc(Br)ccc2F)c1 ZINC000792133189 658236960 /nfs/dbraw/zinc/23/69/60/658236960.db2.gz OCCRUQAHUMQWAX-UHFFFAOYSA-N 1 0 396.260 2.854 20 0 GFADRO COCC[C@H]([NH2+]CC(=O)N1CCO[C@@H](C)C1)c1ccc(Cl)c(Cl)c1 ZINC000792929716 658331302 /nfs/dbraw/zinc/33/13/02/658331302.db2.gz XUTOPCSDRCWZGX-LRDDRELGSA-N 1 0 375.296 2.908 20 0 GFADRO CCN(CCC[NH+](CC)CC)C(=O)C(=O)Nc1ccc(C)c(Br)n1 ZINC000793053406 658352150 /nfs/dbraw/zinc/35/21/50/658352150.db2.gz DZOKEAOJJNGQPW-UHFFFAOYSA-N 1 0 399.333 2.671 20 0 GFADRO CCOC(=O)C(F)(F)[C@@H]1CC[C@H]([NH2+]Cc2ccc(S(=O)(=O)CC)s2)C1 ZINC000793208110 658371520 /nfs/dbraw/zinc/37/15/20/658371520.db2.gz XKISIHJKJVFCIE-NEPJUHHUSA-N 1 0 395.493 2.998 20 0 GFADRO Cc1ccc(NC(=O)NC[C@@H](C(C)C)[NH+]2CCN(C)CC2)nc1Br ZINC000794357262 658524864 /nfs/dbraw/zinc/52/48/64/658524864.db2.gz DXJVGOZXSYWUKT-AWEZNQCLSA-N 1 0 398.349 2.546 20 0 GFADRO CN1CCC([NH+]2CCC(NC(=S)NCCCCC(F)(F)F)CC2)CC1 ZINC000794975896 658643585 /nfs/dbraw/zinc/64/35/85/658643585.db2.gz DHEOLJXHVBMQKS-UHFFFAOYSA-N 1 0 380.524 2.742 20 0 GFADRO C[C@H]1CN(C(=O)C[NH2+][C@H]2c3cccc(Br)c3CC2(C)C)CCO1 ZINC000795122952 658682452 /nfs/dbraw/zinc/68/24/52/658682452.db2.gz MTCQBDDCDUNUOX-SJCJKPOMSA-N 1 0 381.314 2.909 20 0 GFADRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1CN1Cc2c(cccc2Br)C1=O ZINC000795708124 658843503 /nfs/dbraw/zinc/84/35/03/658843503.db2.gz RITNXTDYWMCWFY-ZIAGYGMSSA-N 1 0 378.314 2.921 20 0 GFADRO COC(=O)c1cc(S(=O)(=O)NCC[NH+](C(C)C)C(C)C)c(F)cc1Cl ZINC000795774605 658848594 /nfs/dbraw/zinc/84/85/94/658848594.db2.gz GPRHIGMTQJQOLH-UHFFFAOYSA-N 1 0 394.896 2.663 20 0 GFADRO O=C1[C@@H]([NH2+][C@H]2CCCc3n[nH]cc32)CCN1c1cccc(Br)c1 ZINC000796974001 658957431 /nfs/dbraw/zinc/95/74/31/658957431.db2.gz UGWAICVQHKMGLA-HOCLYGCPSA-N 1 0 375.270 2.945 20 0 GFADRO CC1=C(Br)CN(C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC000797459461 659025459 /nfs/dbraw/zinc/02/54/59/659025459.db2.gz GBORCVTVNAATGY-OAHLLOKOSA-N 1 0 386.334 2.714 20 0 GFADRO CC1=C(Br)CN(C(=O)C(=O)Nc2ccc(CC[NH+](C)C)cc2)CC1 ZINC000797543778 659033268 /nfs/dbraw/zinc/03/32/68/659033268.db2.gz CWQAJQWRFRHCCQ-UHFFFAOYSA-N 1 0 394.313 2.630 20 0 GFADRO COC(=O)N1CCC([NH2+]Cc2ccc(I)c(C)c2)CC1 ZINC000798498443 659114119 /nfs/dbraw/zinc/11/41/19/659114119.db2.gz SOFKUQZDEMESEC-UHFFFAOYSA-N 1 0 388.249 2.920 20 0 GFADRO CC(C)[C@H](C(=O)OC[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1)[NH+](C)C ZINC000798854119 659151049 /nfs/dbraw/zinc/15/10/49/659151049.db2.gz MVVDKSBXKFFYLH-CXAGYDPISA-N 1 0 397.313 2.931 20 0 GFADRO Cc1cc(NC(=O)N2CCC=C(Br)C2)n(C2CC[NH+](C)CC2)n1 ZINC000799404826 659188610 /nfs/dbraw/zinc/18/86/10/659188610.db2.gz HZEQBTCFXIXTGR-UHFFFAOYSA-N 1 0 382.306 2.975 20 0 GFADRO CS(=O)(=O)CCOCC[NH2+][C@H]1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000799719983 659217303 /nfs/dbraw/zinc/21/73/03/659217303.db2.gz GBYUCTIBXICVJS-HOCLYGCPSA-N 1 0 379.444 2.992 20 0 GFADRO C[NH+]1CCC(CCNC(=O)NC[C@H](O)c2cccc(Br)c2)CC1 ZINC000799938444 659247022 /nfs/dbraw/zinc/24/70/22/659247022.db2.gz CMFOFQFFXYOVLF-INIZCTEOSA-N 1 0 384.318 2.514 20 0 GFADRO CCC[N@@H+]1CC[C@@H](CNC(=O)NC[C@H](O)c2cccc(Br)c2)C1 ZINC000799938724 659247293 /nfs/dbraw/zinc/24/72/93/659247293.db2.gz FXOUQHQDXQSYAY-BBRMVZONSA-N 1 0 384.318 2.514 20 0 GFADRO O=C(OCCC[NH+]1CCCC1)[C@@H]1CCN(c2ccccc2Br)C1=O ZINC000800140515 659276178 /nfs/dbraw/zinc/27/61/78/659276178.db2.gz DWUHRRADTKTCCO-CQSZACIVSA-N 1 0 395.297 2.831 20 0 GFADRO CN(CC[C@H]1CCCC[N@@H+]1C)S(=O)(=O)c1cc2c(cc1Cl)CCC2=O ZINC000800916363 659347686 /nfs/dbraw/zinc/34/76/86/659347686.db2.gz BQKHETFIXYIVIY-CQSZACIVSA-N 1 0 384.929 2.964 20 0 GFADRO C[NH+](C)CC1CCC(NS(=O)(=O)c2cc3c(cc2Cl)CCC3=O)CC1 ZINC000800924881 659350442 /nfs/dbraw/zinc/35/04/42/659350442.db2.gz GFVZJYFWQOHWEW-UHFFFAOYSA-N 1 0 384.929 2.868 20 0 GFADRO Cc1nn(C)c(Br)c1C(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C ZINC000801078840 659366273 /nfs/dbraw/zinc/36/62/73/659366273.db2.gz UPSGOUBIWBKQKO-CYBMUJFWSA-N 1 0 383.265 2.663 20 0 GFADRO CCC[NH+]1CCC(NC(=O)NC[C@@H](O)c2cccc(Br)c2)CC1 ZINC000801738888 659421098 /nfs/dbraw/zinc/42/10/98/659421098.db2.gz DEODUCSAUMUODE-MRXNPFEDSA-N 1 0 384.318 2.656 20 0 GFADRO CC(C)[N@@H+]1CCO[C@H](COC(=O)[C@H](C)Oc2ccccc2Br)C1 ZINC000802136188 659447424 /nfs/dbraw/zinc/44/74/24/659447424.db2.gz GTRSCXSIAQEZJE-KBPBESRZSA-N 1 0 386.286 2.869 20 0 GFADRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2CN2Cc3ccc(Br)cc3C2=O)C1 ZINC000802732539 659500151 /nfs/dbraw/zinc/50/01/51/659500151.db2.gz FVIMURLOFMIOPG-YOEHRIQHSA-N 1 0 378.314 2.779 20 0 GFADRO C[C@]12CCN(C(=O)[C@]3(O)CC[N@H+](Cc4ccccc4)C3)C[C@H]1C2(Cl)Cl ZINC000803547844 659588594 /nfs/dbraw/zinc/58/85/94/659588594.db2.gz FFWQAMHMHXQNTQ-NJAFHUGGSA-N 1 0 383.319 2.666 20 0 GFADRO COCC[NH+](CCOC)C1CCN(C(=O)c2nc(Cl)ccc2Cl)CC1 ZINC000803557507 659589124 /nfs/dbraw/zinc/58/91/24/659589124.db2.gz DJAKLIVXSTVJIU-UHFFFAOYSA-N 1 0 390.311 2.588 20 0 GFADRO CC(C)(C)Oc1nc(NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)ncc1Br ZINC000804396455 659642652 /nfs/dbraw/zinc/64/26/52/659642652.db2.gz IKUXLVPIYVBPGF-NEPJUHHUSA-N 1 0 385.306 2.692 20 0 GFADRO CN(C(=O)[C@H]1Cc2cc(Br)ccc2O1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000804564951 659657959 /nfs/dbraw/zinc/65/79/59/659657959.db2.gz UXJPQIWWPNKRFG-KJFZJZGVSA-N 1 0 379.298 2.836 20 0 GFADRO CC(=O)NCC[C@H]1CCC[N@H+](C[C@@H](O)c2ccc(F)c(Br)c2)C1 ZINC000805822196 659807752 /nfs/dbraw/zinc/80/77/52/659807752.db2.gz KCIHDIWYSIKCOI-CXAGYDPISA-N 1 0 387.293 2.860 20 0 GFADRO CNC(=O)OC[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1cccc(Br)c1 ZINC000805825682 659807894 /nfs/dbraw/zinc/80/78/94/659807894.db2.gz BZGAMANINKOYID-HNNXBMFYSA-N 1 0 398.301 2.988 20 0 GFADRO CNC(=O)OC[C@@H]1CCCC[N@@H+]1C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000805828711 659808181 /nfs/dbraw/zinc/80/81/81/659808181.db2.gz PHTFOGQROUJFFE-QWHCGFSZSA-N 1 0 391.295 2.944 20 0 GFADRO C[NH+]1CCC(CNC(=S)NC[C@H](O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000806593173 659836703 /nfs/dbraw/zinc/83/67/03/659836703.db2.gz GHOIKHGUCSMKFP-HNNXBMFYSA-N 1 0 375.460 2.545 20 0 GFADRO COCC[N@@H+]1CCC[C@@H](NC(=O)c2nc(Br)sc2C2CC2)C1 ZINC000806807617 659841865 /nfs/dbraw/zinc/84/18/65/659841865.db2.gz PMKQPOAYPTWBLW-LLVKDONJSA-N 1 0 388.331 2.624 20 0 GFADRO O=C(NCc1cnc(Br)cn1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000808022003 659873646 /nfs/dbraw/zinc/87/36/46/659873646.db2.gz FJTURIUXJFCJLA-UHFFFAOYSA-N 1 0 375.270 2.765 20 0 GFADRO O=S1(=O)CCC[C@H](C[NH2+]Cc2c(-c3ccccc3)nc3sccn23)C1 ZINC000808475519 659895173 /nfs/dbraw/zinc/89/51/73/659895173.db2.gz PRBSTWMLRLWCPU-CQSZACIVSA-N 1 0 375.519 2.977 20 0 GFADRO CCS(=O)(=O)C[C@@H](C)[NH2+]C[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)CC1 ZINC000808725767 659903563 /nfs/dbraw/zinc/90/35/63/659903563.db2.gz DQYHZUJLUTWVAC-BZUAXINKSA-N 1 0 376.563 2.730 20 0 GFADRO CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3c(Cl)n(C)nc3C(F)(F)F)[C@H]2C1 ZINC000808782794 659905863 /nfs/dbraw/zinc/90/58/63/659905863.db2.gz CXAVOJLCKWNMSU-WCFLWFBJSA-N 1 0 378.826 2.829 20 0 GFADRO C[NH+](C)CCOC1CCN(Cc2nc3ccccn3c2Br)CC1 ZINC000809573837 659932481 /nfs/dbraw/zinc/93/24/81/659932481.db2.gz ZJYWEVHUJPXRDY-UHFFFAOYSA-N 1 0 381.318 2.639 20 0 GFADRO C[NH+](C)CCN(Cc1nc2ccccn2c1Br)C[C@@H]1CCCO1 ZINC000809737895 659937772 /nfs/dbraw/zinc/93/77/72/659937772.db2.gz OTLVVZDTQZNYCZ-AWEZNQCLSA-N 1 0 381.318 2.639 20 0 GFADRO CC(=O)c1cc(S(=O)(=O)N[C@@H](C)C[N@@H+](C)C(C)C)ccc1Br ZINC000809861229 659950334 /nfs/dbraw/zinc/95/03/34/659950334.db2.gz UTQDSWQVTJWYQZ-NSHDSACASA-N 1 0 391.331 2.659 20 0 GFADRO C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)C)c1ccc(Br)nc1 ZINC000810240658 659967557 /nfs/dbraw/zinc/96/75/57/659967557.db2.gz DDPJILRQDKHSHP-OHRKKDJYSA-N 1 0 395.345 2.578 20 0 GFADRO C[C@H]1C[C@@H](C(=O)Nc2ncn(Cc3ccc(Br)cc3)n2)CC[N@@H+]1C ZINC000810270906 659968312 /nfs/dbraw/zinc/96/83/12/659968312.db2.gz JYWLCCZZGRSCLK-JSGCOSHPSA-N 1 0 392.301 2.758 20 0 GFADRO Nc1nc(N2CCC[C@H](OC(=O)Cc3ccccc3Br)C2)cc[nH+]1 ZINC000810768688 659985347 /nfs/dbraw/zinc/98/53/47/659985347.db2.gz UKYCYPVHJBTEON-ZDUSSCGKSA-N 1 0 391.269 2.576 20 0 GFADRO CCC[N@H+](CC)C[C@@H](C)Nc1nc(CS(C)(=O)=O)nc(Cl)c1CC ZINC000811865821 660016859 /nfs/dbraw/zinc/01/68/59/660016859.db2.gz CARMMZDBXKEIKC-GFCCVEGCSA-N 1 0 376.954 2.769 20 0 GFADRO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)/C=C\c1ccc(I)o1 ZINC000811936385 660017946 /nfs/dbraw/zinc/01/79/46/660017946.db2.gz APTALTWUCOZPLN-BPOWMSRESA-N 1 0 376.238 2.742 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc(=O)[nH]c4c(Br)cccc34)C[C@@H]2C1 ZINC000812330710 660024392 /nfs/dbraw/zinc/02/43/92/660024392.db2.gz OQHGGELABXTJLJ-NEPJUHHUSA-N 1 0 390.281 2.727 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3cnn(-c4cccc(Br)c4)c3)C[C@@H]2C1 ZINC000812333152 660024769 /nfs/dbraw/zinc/02/47/69/660024769.db2.gz MXKLDXVWZIAMSC-HIFRSBDPSA-N 1 0 389.297 2.659 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(C(=O)C3=Cc4cc(Br)ccc4OC3)C[C@@H]2C1 ZINC000812339829 660024929 /nfs/dbraw/zinc/02/49/29/660024929.db2.gz UQFZCEUGAUGXEM-DOMZBBRYSA-N 1 0 377.282 2.635 20 0 GFADRO C[C@@H]1CN(S(=O)(=O)c2c(Cl)nc3sccn32)CC[N@@H+](C2CCC2)C1 ZINC000813750799 660063044 /nfs/dbraw/zinc/06/30/44/660063044.db2.gz DCQNIAQAVNNCGE-NSHDSACASA-N 1 0 388.946 2.544 20 0 GFADRO O=C(c1cn2c(Br)cnc2s1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000814799267 660096401 /nfs/dbraw/zinc/09/64/01/660096401.db2.gz ZZQPSZVKHUEHDN-UHFFFAOYSA-N 1 0 392.282 2.516 20 0 GFADRO O[C@H](COc1c(Cl)cccc1Cl)C[NH+]1CCC2(CC1)OCCCO2 ZINC000815157484 660114710 /nfs/dbraw/zinc/11/47/10/660114710.db2.gz FEUUFCZPXKRDMQ-ZDUSSCGKSA-N 1 0 376.280 2.962 20 0 GFADRO Cn1nnc(Br)c1COC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000816144488 660145709 /nfs/dbraw/zinc/14/57/09/660145709.db2.gz APGQORUTVFAVGB-UHFFFAOYSA-N 1 0 393.285 2.533 20 0 GFADRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1cn2c(Br)cnc2s1 ZINC000816662925 660164701 /nfs/dbraw/zinc/16/47/01/660164701.db2.gz CZHNSQLQTYWWTO-QWRGUYRKSA-N 1 0 383.315 2.857 20 0 GFADRO C[NH+](C)CCN(Cc1ccsc1)S(=O)(=O)c1cnc(Cl)c(F)c1 ZINC000841546436 661295420 /nfs/dbraw/zinc/29/54/20/661295420.db2.gz KMDHGHGFOFZHSM-UHFFFAOYSA-N 1 0 377.894 2.688 20 0 GFADRO [NH3+]CCc1ccc(CNC(=O)NCCSCc2ccnc(Cl)c2)cc1 ZINC000841877363 661317135 /nfs/dbraw/zinc/31/71/35/661317135.db2.gz PAGKHAVPHBALIF-UHFFFAOYSA-N 1 0 378.929 2.969 20 0 GFADRO C[C@]1(CNC(=O)N2CCO[C@H](c3ccccc3Br)C2)CCC[NH2+]C1 ZINC000841970494 661318661 /nfs/dbraw/zinc/31/86/61/661318661.db2.gz LYINRAOCSQSBKM-WMZOPIPTSA-N 1 0 396.329 2.922 20 0 GFADRO CC[NH+]1CCC(N2C(=O)[C@H]3Cc4c(Br)cccc4CN3C2=O)CC1 ZINC000842235218 661329393 /nfs/dbraw/zinc/32/93/93/661329393.db2.gz JFWWSRQGHBYOES-MRXNPFEDSA-N 1 0 392.297 2.622 20 0 GFADRO O=C(NCCC[NH2+]C1CCCCC1)c1cccnc1I ZINC000842233207 661329472 /nfs/dbraw/zinc/32/94/72/661329472.db2.gz QKNFNBWAFXCOTR-UHFFFAOYSA-N 1 0 387.265 2.728 20 0 GFADRO [NH3+][C@@H]1CCO[C@H](C2CCN(S(=O)(=O)/C=C/c3ccccc3Cl)CC2)C1 ZINC000842484656 661341747 /nfs/dbraw/zinc/34/17/47/661341747.db2.gz KIRREWGNHUICSY-NNSTXHOFSA-N 1 0 384.929 2.859 20 0 GFADRO [NH3+][C@@H]1CCO[C@H](C2CCN(S(=O)(=O)/C=C/c3ccc(Cl)cc3)CC2)C1 ZINC000842485612 661342036 /nfs/dbraw/zinc/34/20/36/661342036.db2.gz XAFXSWIUKSCDQB-XTUKKMCOSA-N 1 0 384.929 2.859 20 0 GFADRO [NH3+]CCc1ccc(CNS(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)cc1 ZINC000842701533 661349895 /nfs/dbraw/zinc/34/98/95/661349895.db2.gz MHXPUYQUQQRNLA-UHFFFAOYSA-N 1 0 376.375 2.824 20 0 GFADRO CNC(=O)[C@H](C[NH2+]Cc1occc1Br)Cc1ccc(OC)c(F)c1 ZINC000842718157 661350816 /nfs/dbraw/zinc/35/08/16/661350816.db2.gz GPDUZIMLSFBBQQ-LBPRGKRZSA-N 1 0 399.260 2.884 20 0 GFADRO [NH3+]C1C[C@H]2CCC[C@@H](C1)N2S(=O)(=O)c1cc(Cl)ccc1OC(F)F ZINC000842746090 661352153 /nfs/dbraw/zinc/35/21/53/661352153.db2.gz NIQTXJUPCSJCNL-YOGCLGLASA-N 1 0 380.844 2.974 20 0 GFADRO [NH3+]C1CC2(C1)CC(NS(=O)(=O)c1cc(Br)ccc1Cl)C2 ZINC000842795802 661354759 /nfs/dbraw/zinc/35/47/59/661354759.db2.gz YERGRNPNDKPBAH-UHFFFAOYSA-N 1 0 379.707 2.651 20 0 GFADRO O=S(=O)(c1ccc(Cl)nc1Cl)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000842871455 661358151 /nfs/dbraw/zinc/35/81/51/661358151.db2.gz BJSCAFYQJWCJFV-NWDGAFQWSA-N 1 0 378.325 2.789 20 0 GFADRO COc1cc(I)ccc1NC(=O)NCCCCCC[NH3+] ZINC000843043363 661365295 /nfs/dbraw/zinc/36/52/95/661365295.db2.gz PYNHSCZIQBJLGM-UHFFFAOYSA-N 1 0 391.253 2.940 20 0 GFADRO [NH3+]CCCCCCNC(=O)C(=O)Nc1cc(Cl)cc(Br)c1 ZINC000843052642 661365395 /nfs/dbraw/zinc/36/53/95/661365395.db2.gz CBIIMEVFEXFLJW-UHFFFAOYSA-N 1 0 376.682 2.676 20 0 GFADRO C[C@H]([NH2+]C[C@H](O)COc1cccc(Br)c1)[C@@H](O)c1ccccc1 ZINC000843062255 661365641 /nfs/dbraw/zinc/36/56/41/661365641.db2.gz NQDVDZZOGSMVLH-QANKJYHBSA-N 1 0 380.282 2.901 20 0 GFADRO CC(C)(C)OC(=O)NC[C@H](O)C[NH2+]C[C@@H](O)c1ccc(Cl)cc1Cl ZINC000843074543 661366635 /nfs/dbraw/zinc/36/66/35/661366635.db2.gz HIEQKVBUGJUWQY-BXUZGUMPSA-N 1 0 379.284 2.502 20 0 GFADRO Cc1cccc([C@H](O)C[NH2+]C[C@H](O)COc2cc(F)cc(Br)c2)c1 ZINC000843089480 661367246 /nfs/dbraw/zinc/36/72/46/661367246.db2.gz SJELRNZNZSXDSM-FUHWJXTLSA-N 1 0 398.272 2.960 20 0 GFADRO Cc1ccc(OC[C@@H](O)C[NH2+]C[C@H](O)c2ccccc2Br)cc1 ZINC000843097635 661367780 /nfs/dbraw/zinc/36/77/80/661367780.db2.gz ZZIFUAGRKNYKGU-KSSFIOAISA-N 1 0 380.282 2.820 20 0 GFADRO C[C@H](C[C@H](O)c1ccco1)[NH2+]C[C@@H](O)COc1cccc(Br)c1 ZINC000843101742 661368159 /nfs/dbraw/zinc/36/81/59/661368159.db2.gz QOWPXXFCESJNDL-XPKDYRNWSA-N 1 0 384.270 2.884 20 0 GFADRO OC[C@@H](C[NH2+]C[C@@H](O)c1cccc(Br)c1)Cc1ccncc1Cl ZINC000843112701 661368958 /nfs/dbraw/zinc/36/89/58/661368958.db2.gz TXOXRBRFNSMXSU-SJKOYZFVSA-N 1 0 399.716 2.972 20 0 GFADRO COc1ccc(OC)c([C@@H](O)C[NH2+]C[C@H](O)c2cccc(Br)c2)c1 ZINC000843113515 661369114 /nfs/dbraw/zinc/36/91/14/661369114.db2.gz WCJKZWASMFSCRS-IRXDYDNUSA-N 1 0 396.281 2.823 20 0 GFADRO OCC1([C@@H]([NH2+]C[C@H](O)c2ccc(Br)cc2)C2CC2)CCOCC1 ZINC000843114371 661369216 /nfs/dbraw/zinc/36/92/16/661369216.db2.gz JNQPEYUIGWDCMP-IRXDYDNUSA-N 1 0 384.314 2.640 20 0 GFADRO COc1ccc(Br)cc1C[C@H](CO)C[NH2+]CC1(O)CCCCC1 ZINC000843116241 661369558 /nfs/dbraw/zinc/36/95/58/661369558.db2.gz KAEYQMDOOIMCLI-AWEZNQCLSA-N 1 0 386.330 2.894 20 0 GFADRO COc1ccc(C[C@@H](CO)C[NH2+]C[C@@H](O)c2ccccc2)cc1Br ZINC000843118051 661369759 /nfs/dbraw/zinc/36/97/59/661369759.db2.gz ZTKIBZCOHJZPCJ-CRAIPNDOSA-N 1 0 394.309 2.932 20 0 GFADRO Cc1c(Br)cccc1C[C@H](CO)C[NH2+]C[C@H](O)c1ccc(F)cn1 ZINC000843117922 661369859 /nfs/dbraw/zinc/36/98/59/661369859.db2.gz WRYWIGWKQILIFO-UGSOOPFHSA-N 1 0 397.288 2.766 20 0 GFADRO Cn1cc([C@H]([NH2+]C[C@H](O)c2ccccc2Br)C2(CO)CCC2)cn1 ZINC000843119836 661370021 /nfs/dbraw/zinc/37/00/21/661370021.db2.gz YBGQKQJSHJLKBI-IRXDYDNUSA-N 1 0 394.313 2.710 20 0 GFADRO Brc1ccccc1-n1cc(-c2nc(C3CC[NH2+]CC3)no2)nn1 ZINC000843137569 661370600 /nfs/dbraw/zinc/37/06/00/661370600.db2.gz ASOLCPROYKGYQS-UHFFFAOYSA-N 1 0 375.230 2.547 20 0 GFADRO Brc1cc(Cc2noc(CC[C@H]3CC[NH2+]C3)n2)cc2c1OCCO2 ZINC000843204010 661372677 /nfs/dbraw/zinc/37/26/77/661372677.db2.gz ZSTVSCLZIOIHTN-NSHDSACASA-N 1 0 394.269 2.736 20 0 GFADRO O=C(Cc1noc(CC2CC[NH2+]CC2)n1)Nc1ccccc1Br ZINC000843218959 661373422 /nfs/dbraw/zinc/37/34/22/661373422.db2.gz MWRDRHAKQXNFLZ-UHFFFAOYSA-N 1 0 379.258 2.555 20 0 GFADRO Ic1ccc(OCc2noc(CC[C@@H]3CCC[NH2+]3)n2)cc1 ZINC000843227313 661373867 /nfs/dbraw/zinc/37/38/67/661373867.db2.gz YDNCZMNCAFJWIE-LBPRGKRZSA-N 1 0 399.232 2.938 20 0 GFADRO CN(CCN1CC[NH2+]CC1)C(=O)/C=C(/c1ccc(Cl)cc1)C(F)(F)F ZINC000843338543 661378237 /nfs/dbraw/zinc/37/82/37/661378237.db2.gz PAXKPJOTVAMIAA-QINSGFPZSA-N 1 0 375.822 2.649 20 0 GFADRO C[C@H](C[C@H](C)[NH2+]Cc1c(Br)cnn1C)NC(=O)OC(C)(C)C ZINC000843417177 661380983 /nfs/dbraw/zinc/38/09/83/661380983.db2.gz QGTGMBWKABSIIE-WDEREUQCSA-N 1 0 375.311 2.964 20 0 GFADRO O=C(COc1cccc(Br)c1)Nc1cnn(C2CC[NH2+]CC2)c1 ZINC000843453779 661381992 /nfs/dbraw/zinc/38/19/92/661381992.db2.gz COJGJUUJLUBDPX-UHFFFAOYSA-N 1 0 379.258 2.588 20 0 GFADRO O=C(CO[C@@H]1CCC[NH2+]C1)NCCc1cc(Cl)ccc1Br ZINC000843494859 661383386 /nfs/dbraw/zinc/38/33/86/661383386.db2.gz LOAOHXSMCKAJSD-CYBMUJFWSA-N 1 0 375.694 2.530 20 0 GFADRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)c1cc2c(ccc(Cl)c2Cl)[nH]1 ZINC000844043379 661401725 /nfs/dbraw/zinc/40/17/25/661401725.db2.gz YVOJGNXLSMRZSC-JTQLQIEISA-N 1 0 383.279 2.667 20 0 GFADRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)c1cc2c(ccc(Cl)c2Cl)[nH]1 ZINC000844043381 661401747 /nfs/dbraw/zinc/40/17/47/661401747.db2.gz YVOJGNXLSMRZSC-SNVBAGLBSA-N 1 0 383.279 2.667 20 0 GFADRO CS(=O)(=O)c1ccc(-c2nc(CN3CC[C@]4(CCC[NH2+]4)C3)cs2)cc1 ZINC000844225838 661410040 /nfs/dbraw/zinc/41/00/40/661410040.db2.gz HRQBGAUCMKCECL-GOSISDBHSA-N 1 0 377.535 2.542 20 0 GFADRO CC[N@H+](CCCNC(=O)NCCS(=O)(=O)C(C)(C)C)C1CCCCC1 ZINC000845016272 661453513 /nfs/dbraw/zinc/45/35/13/661453513.db2.gz ZASQSVGFIHWMMG-UHFFFAOYSA-N 1 0 375.579 2.544 20 0 GFADRO C[NH+](C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)OCc1cnc(Cl)s1 ZINC000845239528 661462741 /nfs/dbraw/zinc/46/27/41/661462741.db2.gz GNZMJGXDUXMKQP-NSHDSACASA-N 1 0 377.894 2.685 20 0 GFADRO C[C@@H](C[NH+]1CCCC1)OC(=O)[C@H](C)NC(=O)c1ccc(Br)s1 ZINC000845666669 661485989 /nfs/dbraw/zinc/48/59/89/661485989.db2.gz JIWVTVLFWNQFIZ-QWRGUYRKSA-N 1 0 389.315 2.656 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@H]1COC(=O)CCNC(=O)c1ccc(Br)cc1 ZINC000845740456 661494762 /nfs/dbraw/zinc/49/47/62/661494762.db2.gz ZZQSSPXOLZZJQW-HNNXBMFYSA-N 1 0 397.313 2.985 20 0 GFADRO O=C(OC[C@@]12CC[N@H+](C1)CCC2)c1cn(-c2ccccc2Br)nn1 ZINC000845793848 661497436 /nfs/dbraw/zinc/49/74/36/661497436.db2.gz MFZKXZPDDWWWDI-KRWDZBQOSA-N 1 0 391.269 2.673 20 0 GFADRO Cc1ccc(C[N@H+]2CC[C@H](CN(C)C(=O)Cc3cn(C)nc3Cl)C2)s1 ZINC000846100844 661532794 /nfs/dbraw/zinc/53/27/94/661532794.db2.gz UXUWKZHGUORXCT-CQSZACIVSA-N 1 0 380.945 2.966 20 0 GFADRO O=C(NCCC1CC[NH2+]CC1)N1CCO[C@H](c2ccccc2Br)C1 ZINC000846210399 661538501 /nfs/dbraw/zinc/53/85/01/661538501.db2.gz MBHPBZDZTNGXPQ-KRWDZBQOSA-N 1 0 396.329 2.922 20 0 GFADRO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCCN2S(=O)(=O)Cc2ccc(Cl)c(F)c2)C1 ZINC000846234587 661539550 /nfs/dbraw/zinc/53/95/50/661539550.db2.gz IDIXOISWYPHKAR-KBRIMQKVSA-N 1 0 390.908 2.670 20 0 GFADRO C[C@@H]1CCCN(S(=O)(=O)c2cc(Br)cnc2Cl)[C@H]1CC[NH3+] ZINC000846232821 661539640 /nfs/dbraw/zinc/53/96/40/661539640.db2.gz VFJVHQCYKKTDJA-KOLCDFICSA-N 1 0 396.738 2.636 20 0 GFADRO Cc1cnc(Br)c(NC(=O)N2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)c1 ZINC000846311689 661544466 /nfs/dbraw/zinc/54/44/66/661544466.db2.gz OCRSPKJVUJHKPO-YDHLFZDLSA-N 1 0 397.317 2.903 20 0 GFADRO Cc1ccc(-n2nc(Br)cc2C(=O)NOC2CC[NH+](C)CC2)cc1 ZINC000846647215 661560512 /nfs/dbraw/zinc/56/05/12/661560512.db2.gz KEKHBWXXPOSSHS-UHFFFAOYSA-N 1 0 393.285 2.699 20 0 GFADRO O=C([C@H]1CCOc2ccc(Br)cc21)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000846682127 661561659 /nfs/dbraw/zinc/56/16/59/661561659.db2.gz YHKILGLPTRROMI-KBXCAEBGSA-N 1 0 379.298 2.917 20 0 GFADRO CCN1C[C@@H](C[N@H+](CCC(=O)OC)Cc2cccc(Br)c2)OC1=O ZINC000846871785 661568317 /nfs/dbraw/zinc/56/83/17/661568317.db2.gz JCBBMFCDSOGUAJ-OAHLLOKOSA-N 1 0 399.285 2.655 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)c1nc(F)ccc1Br)Cc1ccccc1 ZINC000847300546 661586710 /nfs/dbraw/zinc/58/67/10/661586710.db2.gz CWXXMUALEHTCGM-CYBMUJFWSA-N 1 0 380.261 2.886 20 0 GFADRO Cc1nc(Cl)c(Cl)cc1C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000847409331 661591290 /nfs/dbraw/zinc/59/12/90/661591290.db2.gz MWXOLOFJJDICEL-UHFFFAOYSA-N 1 0 385.339 2.985 20 0 GFADRO CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2cnc(Cl)n2C)cc1 ZINC000848523874 661660912 /nfs/dbraw/zinc/66/09/12/661660912.db2.gz AYUPNLPMKJNPFQ-CYBMUJFWSA-N 1 0 384.933 2.955 20 0 GFADRO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]C[C@@H]1CN(C2CC2)C(=O)O1 ZINC000848572619 661666054 /nfs/dbraw/zinc/66/60/54/661666054.db2.gz UYXABIJLGLSGQQ-IAQYHMDHSA-N 1 0 396.285 2.739 20 0 GFADRO O=C(NCc1noc([C@H]2C[C@]23CCC[NH2+]C3)n1)c1ccc(Br)cc1 ZINC000848630896 661668784 /nfs/dbraw/zinc/66/87/84/661668784.db2.gz AMNRQDONWUYVHI-DYVFJYSZSA-N 1 0 391.269 2.619 20 0 GFADRO C[C@@H]1CN(C(=[NH2+])NCC2(c3ccc(Br)cc3)CCOCC2)CCO1 ZINC000849094912 661691295 /nfs/dbraw/zinc/69/12/95/661691295.db2.gz UFSUHSNNKZMJAE-CQSZACIVSA-N 1 0 396.329 2.742 20 0 GFADRO CCCNC(=[NH2+])NCc1cc(Cl)c(I)cc1OC ZINC000849094468 661691536 /nfs/dbraw/zinc/69/15/36/661691536.db2.gz JQOXTGNVQAMSSV-UHFFFAOYSA-N 1 0 381.645 2.977 20 0 GFADRO CC(C)(C)OC(=O)NCCNC(=[NH2+])NCCc1cccc(Br)c1 ZINC000849115772 661693278 /nfs/dbraw/zinc/69/32/78/661693278.db2.gz CYNLTILBFNOBQY-UHFFFAOYSA-N 1 0 385.306 2.630 20 0 GFADRO C[C@@H]1C[C@@H](N2C(=O)N[C@H](c3ccccc3Br)C2=O)C[N@@H+]1C1CC1 ZINC000849354395 661708895 /nfs/dbraw/zinc/70/88/95/661708895.db2.gz PIGQQLQRGBZOBD-IXPVHAAZSA-N 1 0 378.270 2.667 20 0 GFADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)Oc2ccccc2Br)cn1 ZINC000849490875 661733308 /nfs/dbraw/zinc/73/33/08/661733308.db2.gz QERVAKLEAPGAHJ-KBPBESRZSA-N 1 0 378.270 2.824 20 0 GFADRO Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)NCc2cc(Br)cs2)cn1 ZINC000849503440 661733824 /nfs/dbraw/zinc/73/38/24/661733824.db2.gz XWACYXQSSHXNNM-LSDHHAIUSA-N 1 0 397.342 2.596 20 0 GFADRO Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)NCc2ccsc2Br)cn1 ZINC000849587138 661734688 /nfs/dbraw/zinc/73/46/88/661734688.db2.gz KVRXFHJDFCFYIG-UONOGXRCSA-N 1 0 397.342 2.596 20 0 GFADRO C[C@H]([NH2+]Cc1cc(C(F)(F)F)nn1C)c1cccc(NS(C)(=O)=O)c1 ZINC000850093440 661764965 /nfs/dbraw/zinc/76/49/65/661764965.db2.gz DECVYKPGBCHBJZ-JTQLQIEISA-N 1 0 376.404 2.661 20 0 GFADRO O=C1OCCN1CCC[NH2+]Cc1cc(Cl)ccc1I ZINC000850117473 661765555 /nfs/dbraw/zinc/76/55/55/661765555.db2.gz CXVYBAVLZSKPBH-UHFFFAOYSA-N 1 0 394.640 2.877 20 0 GFADRO CN(C)c1ccc(N2CCC([NH2+]CC[S@](=O)CC(F)(F)F)CC2)cc1 ZINC000850350237 661771308 /nfs/dbraw/zinc/77/13/08/661771308.db2.gz QMUQGGHIUBHBRX-VWLOTQADSA-N 1 0 377.476 2.622 20 0 GFADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]C[C@H]1C(C)(C)C1(F)F ZINC000850394615 661774488 /nfs/dbraw/zinc/77/44/88/661774488.db2.gz WLUHJJZCEDJHOK-PWSUYJOCSA-N 1 0 381.876 2.585 20 0 GFADRO CC(C)(C[NH2+]Cc1ccccc1I)[C@@]1(O)CCCOC1 ZINC000850400262 661774801 /nfs/dbraw/zinc/77/48/01/661774801.db2.gz CXSOBBKHAUCBTA-MRXNPFEDSA-N 1 0 389.277 2.949 20 0 GFADRO O=S(=O)(c1ccc(OCC[NH2+][C@H]2COC3(CCC3)C2)cc1)C(F)(F)F ZINC000850446739 661776700 /nfs/dbraw/zinc/77/67/00/661776700.db2.gz ARJLNDMJGKTFGK-GFCCVEGCSA-N 1 0 379.400 2.660 20 0 GFADRO CCOC(=O)NC1CCC([NH2+]Cc2ccc(S(C)(=O)=O)c(Cl)c2)CC1 ZINC000850464093 661777301 /nfs/dbraw/zinc/77/73/01/661777301.db2.gz AMHZQPPYAZOCBE-UHFFFAOYSA-N 1 0 388.917 2.890 20 0 GFADRO CN1CCO[C@H]([C@@H]([NH2+]CC[S@@](=O)CC(F)(F)F)c2ccc(Cl)cc2)C1 ZINC000850497431 661779657 /nfs/dbraw/zinc/77/96/57/661779657.db2.gz USKVPFKNJVIUDH-XSKAOVLVSA-N 1 0 398.878 2.612 20 0 GFADRO O=S(=O)(c1c(Cl)ccnc1Cl)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000850589474 661782571 /nfs/dbraw/zinc/78/25/71/661782571.db2.gz MKRGVGUWOQMGBV-LBPRGKRZSA-N 1 0 378.325 2.789 20 0 GFADRO O=S(=O)(c1ccc(C(F)(F)F)cn1)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000850590148 661782590 /nfs/dbraw/zinc/78/25/90/661782590.db2.gz XPODFWXTJQPXCY-CYBMUJFWSA-N 1 0 377.432 2.501 20 0 GFADRO O=C(NCC12CC(C1)C[NH2+]2)Nc1cc(C(F)(F)F)cc(Br)n1 ZINC000850742983 661790164 /nfs/dbraw/zinc/79/01/64/661790164.db2.gz OFGHJBKIYVRATB-UHFFFAOYSA-N 1 0 379.180 2.736 20 0 GFADRO C[C@@]1(C(=O)N[C@@H](C[NH3+])C2CCCCC2)CC1(Br)Br ZINC000851633875 661826956 /nfs/dbraw/zinc/82/69/56/661826956.db2.gz WZOLZBXBWDUHIS-JQWIXIFHSA-N 1 0 382.140 2.906 20 0 GFADRO C[C@]1(C(=O)N2C[C@@H]([NH3+])Cc3ccccc32)CC1(Br)Br ZINC000851640640 661827409 /nfs/dbraw/zinc/82/74/09/661827409.db2.gz AFOOHIOPZQPVAL-GXFFZTMASA-N 1 0 388.103 2.799 20 0 GFADRO CCC[N@H+](CCn1cnc(Br)n1)C[C@@H]1COc2ccccc2O1 ZINC000851725484 661829252 /nfs/dbraw/zinc/82/92/52/661829252.db2.gz AQOFOBLPDYNQAH-CYBMUJFWSA-N 1 0 381.274 2.593 20 0 GFADRO NC(=O)[C@](O)(C[N@@H+]1CCC[C@@H]1c1cccc(Br)c1)c1ccccc1 ZINC000851731290 661829588 /nfs/dbraw/zinc/82/95/88/661829588.db2.gz NPOMIRWKCVKMBJ-MJGOQNOKSA-N 1 0 389.293 2.959 20 0 GFADRO Cc1ccc(N)cc1S(=O)(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000851758976 661830864 /nfs/dbraw/zinc/83/08/64/661830864.db2.gz NQNMAPWVEKQCOA-UHFFFAOYSA-N 1 0 379.551 2.829 20 0 GFADRO CC(C)[C@@](C)(CNC(=O)OC(C)(C)C)[NH2+]CCn1cnc(Br)n1 ZINC000851843601 661838231 /nfs/dbraw/zinc/83/82/31/661838231.db2.gz GSCYXLRSMXRJSW-OAHLLOKOSA-N 1 0 390.326 2.570 20 0 GFADRO O=S(=O)(NC[C@@H]1CCC[N@H+](CC2CC2)C1)c1ccc(C(F)(F)F)cn1 ZINC000851895370 661844100 /nfs/dbraw/zinc/84/41/00/661844100.db2.gz WGXQDXOIXDRPGZ-ZDUSSCGKSA-N 1 0 377.432 2.501 20 0 GFADRO Brc1ncn(CC[NH2+][C@@H](CN2CCCCC2)c2ccccc2)n1 ZINC000851921445 661845971 /nfs/dbraw/zinc/84/59/71/661845971.db2.gz RHIWDXCPCGTILQ-INIZCTEOSA-N 1 0 378.318 2.857 20 0 GFADRO C[C@@H]([NH2+]CCn1cnc(Br)n1)c1ccc(Br)cn1 ZINC000852005674 661848624 /nfs/dbraw/zinc/84/86/24/661848624.db2.gz YHPCYMLSGVAUQO-MRVPVSSYSA-N 1 0 375.068 2.549 20 0 GFADRO Brc1ncn(CCN2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)n1 ZINC000852041598 661850435 /nfs/dbraw/zinc/85/04/35/661850435.db2.gz WTDIVICCRVPPDF-SFHVURJKSA-N 1 0 390.329 2.639 20 0 GFADRO O=C(CC[N@@H+]1CCC2=C(CCC(=O)N2)C1)Nc1cccc(Br)c1 ZINC000852297928 661859619 /nfs/dbraw/zinc/85/96/19/661859619.db2.gz PTBXCAPJPHMNKZ-UHFFFAOYSA-N 1 0 378.270 2.648 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)NC[C@H](O)c2cccc(Br)c2)C1 ZINC000852468864 661865426 /nfs/dbraw/zinc/86/54/26/661865426.db2.gz RLISRYNLTHDWSO-CABCVRRESA-N 1 0 384.318 2.655 20 0 GFADRO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)NC[C@H](O)c1cccc(Br)c1 ZINC000852602757 661867733 /nfs/dbraw/zinc/86/77/33/661867733.db2.gz PNIPEUSWJIONPD-YOEHRIQHSA-N 1 0 398.345 2.902 20 0 GFADRO O=C1CCCN1C[C@H]1CC[N@@H+](C[C@H](O)c2ccc(F)c(Br)c2)C1 ZINC000852679792 661871221 /nfs/dbraw/zinc/87/12/21/661871221.db2.gz BTBGWGXNGHHJRW-LRDDRELGSA-N 1 0 385.277 2.566 20 0 GFADRO O=C(CNC(=O)c1sc2c(c1Br)CNC2)OCc1ccccc1 ZINC000852776880 661874096 /nfs/dbraw/zinc/87/40/96/661874096.db2.gz CTBOGMASVTUAPI-UHFFFAOYSA-N 1 0 395.278 2.587 20 0 GFADRO CC(C)(C)n1ncc(C(=O)NCCC[NH2+]Cc2cccnc2)c1Br ZINC000852793115 661874477 /nfs/dbraw/zinc/87/44/77/661874477.db2.gz QEUJYBIAGUEALR-UHFFFAOYSA-N 1 0 394.317 2.705 20 0 GFADRO C[C@@H](NC(=O)c1cnn(-c2ccccc2)c1Br)[C@@H]1CCC[NH2+]C1 ZINC000852794131 661874525 /nfs/dbraw/zinc/87/45/25/661874525.db2.gz MAQGUZATRPJRSY-CHWSQXEVSA-N 1 0 377.286 2.753 20 0 GFADRO CC(C)(C)n1cc(Br)c(C(=O)Nc2cccc(OCC[NH3+])c2)n1 ZINC000852795913 661874531 /nfs/dbraw/zinc/87/45/31/661874531.db2.gz LCOYRJSQGBNJAJ-UHFFFAOYSA-N 1 0 381.274 2.990 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)c1cnn(-c2ccccc2)c1Br ZINC000852793351 661874568 /nfs/dbraw/zinc/87/45/68/661874568.db2.gz YGJYUIRJTBLBAL-IUODEOHRSA-N 1 0 377.286 2.977 20 0 GFADRO O=C(C=C1CC[NH2+]CC1)NCCSCCOc1cccc(Br)c1 ZINC000852836824 661875587 /nfs/dbraw/zinc/87/55/87/661875587.db2.gz KZRNDOROAAGWLV-UHFFFAOYSA-N 1 0 399.354 2.987 20 0 GFADRO CC[C@@H](Cc1ccc(Br)cc1)NC(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC000852869061 661875931 /nfs/dbraw/zinc/87/59/31/661875931.db2.gz ZVSWBYLLSWIYBU-ZDUSSCGKSA-N 1 0 377.286 2.569 20 0 GFADRO CC(C)(C)OC(=O)NC[C@@](C)(O)C[NH2+]C[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC000853117108 661882847 /nfs/dbraw/zinc/88/28/47/661882847.db2.gz PCINQELSMFUMBK-YOEHRIQHSA-N 1 0 393.311 2.892 20 0 GFADRO CS(=O)(=O)c1ccc([C@H](O)C[NH2+]CCc2nsc3ccccc32)cc1 ZINC000853120280 661882992 /nfs/dbraw/zinc/88/29/92/661882992.db2.gz UOAXOSKAFPOIQT-QGZVFWFLSA-N 1 0 376.503 2.566 20 0 GFADRO CCc1c(Cl)nc(CS(C)(=O)=O)nc1NC[C@H](C(C)C)[NH+]1CCCC1 ZINC000853132672 661883172 /nfs/dbraw/zinc/88/31/72/661883172.db2.gz BDFQJBOTLWMKJV-CQSZACIVSA-N 1 0 388.965 2.769 20 0 GFADRO C[C@]1(CCNC(=O)N2CCC[C@@H]([NH+]3CCOCC3)CC2)CC1(Cl)Cl ZINC000854113908 661914886 /nfs/dbraw/zinc/91/48/86/661914886.db2.gz UFZZWQUTFHICTK-ZBFHGGJFSA-N 1 0 378.344 2.857 20 0 GFADRO CN(C[C@H](O)c1cccc(Br)c1)C(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000854244418 661920567 /nfs/dbraw/zinc/92/05/67/661920567.db2.gz FAKAGJRYFJMWBA-HOTGVXAUSA-N 1 0 398.345 2.997 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1csc(I)n1 ZINC000854269010 661921714 /nfs/dbraw/zinc/92/17/14/661921714.db2.gz FXLKOBCYJOCKCF-SNVBAGLBSA-N 1 0 393.294 2.742 20 0 GFADRO O=C([C@@H](O)c1ccc(Cl)c(Cl)c1)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000854332031 661925003 /nfs/dbraw/zinc/92/50/03/661925003.db2.gz YFAHYPCGNJPVLQ-YOEHRIQHSA-N 1 0 387.307 2.740 20 0 GFADRO C[N@@H+]1CCC[C@H]1[C@H]1COCCN1C(=O)c1c(Cl)nc2cc(Cl)ccn21 ZINC000854643867 661945199 /nfs/dbraw/zinc/94/51/99/661945199.db2.gz ZMAULPBPRMQXPM-QWHCGFSZSA-N 1 0 383.279 2.576 20 0 GFADRO CN(C(=O)c1cc(Br)n[nH]1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000854894239 661959412 /nfs/dbraw/zinc/95/94/12/661959412.db2.gz XNLXZFRTCSSQJY-UHFFFAOYSA-N 1 0 383.212 2.661 20 0 GFADRO C[N@@H+]1CCC[C@@H](CCNC(=O)c2ccc(C(F)(F)Br)nc2)C1 ZINC000854913290 661960854 /nfs/dbraw/zinc/96/08/54/661960854.db2.gz NQAXQGRODWOLEZ-NSHDSACASA-N 1 0 376.245 2.988 20 0 GFADRO CC(C)C[N@H+](C)CCCNC(=O)[C@@]1(C)CC1(Br)Br ZINC000855010596 661965555 /nfs/dbraw/zinc/96/55/55/661965555.db2.gz DZSRMKQPKWOWLL-GFCCVEGCSA-N 1 0 384.156 2.977 20 0 GFADRO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)c1cc2c(ccc(Cl)c2Cl)[nH]1 ZINC000855694928 662004334 /nfs/dbraw/zinc/00/43/34/662004334.db2.gz DLBBWUISWXUMKP-UHFFFAOYSA-N 1 0 385.295 2.567 20 0 GFADRO CC[C@@H]1CN(C(=O)c2cnn(-c3ccccc3)c2Br)C[C@H](C)[NH2+]1 ZINC000856408136 662032227 /nfs/dbraw/zinc/03/22/27/662032227.db2.gz FZXWXEFIROUGNI-QWHCGFSZSA-N 1 0 377.286 2.847 20 0 GFADRO Cn1cc(C[NH2+]C[C@H](CO)Cc2ccc(F)c(Br)c2)c(Cl)n1 ZINC000856789439 662044161 /nfs/dbraw/zinc/04/41/61/662044161.db2.gz FBSMSHUAUNGLLZ-LLVKDONJSA-N 1 0 390.684 2.916 20 0 GFADRO CCNC(=O)COc1ccc(C[NH2+]CC[C@H]2CC2(Cl)Cl)cc1OC ZINC000856806828 662044799 /nfs/dbraw/zinc/04/47/99/662044799.db2.gz JIOLQPNFJLNUEV-ZDUSSCGKSA-N 1 0 375.296 2.884 20 0 GFADRO C[C@H]([NH3+])CCNC(=O)N1CCC(C(=O)Nc2ccccc2Br)CC1 ZINC000857114972 662063983 /nfs/dbraw/zinc/06/39/83/662063983.db2.gz DDWKYZFFTHIYJV-LBPRGKRZSA-N 1 0 397.317 2.547 20 0 GFADRO O=C(Cc1noc(CC[C@@H]2CCC[NH2+]C2)n1)Nc1ccccc1Br ZINC000857252199 662070521 /nfs/dbraw/zinc/07/05/21/662070521.db2.gz CFPXLLGFEZNICX-LBPRGKRZSA-N 1 0 393.285 2.946 20 0 GFADRO C[NH+](C)CCCC(C)(C)NC(=O)c1cccnc1I ZINC000857277671 662071673 /nfs/dbraw/zinc/07/16/73/662071673.db2.gz JPIVKVVQJYZGBS-UHFFFAOYSA-N 1 0 375.254 2.536 20 0 GFADRO COC(=O)CCC(=O)N1C[C@H]([NH+](C)C)CCc2cc(Br)ccc21 ZINC000857882312 662093650 /nfs/dbraw/zinc/09/36/50/662093650.db2.gz IOPKDIMGEZQKAZ-CQSZACIVSA-N 1 0 383.286 2.612 20 0 GFADRO C[C@@H]([NH2+]Cc1cn(C)nc1Br)[C@@H](c1ccccc1)N1CCOCC1 ZINC000858086152 662098031 /nfs/dbraw/zinc/09/80/31/662098031.db2.gz CDARVSUMFUDIHG-PBHICJAKSA-N 1 0 393.329 2.734 20 0 GFADRO COc1ncc(Br)cc1CNC(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000858311015 662107865 /nfs/dbraw/zinc/10/78/65/662107865.db2.gz DHMFFRFOIVCJNZ-ZIAGYGMSSA-N 1 0 385.306 2.525 20 0 GFADRO COC(=O)Nc1ccc(S(=O)(=O)N[C@]2(C[NH3+])CCCC[C@@H]2C)cc1Cl ZINC000858609978 662116360 /nfs/dbraw/zinc/11/63/60/662116360.db2.gz GIQHTYZWSYNEAA-ZBEGNZNMSA-N 1 0 389.905 2.704 20 0 GFADRO CCOc1ccc(S(=O)(=O)N2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)c(C)c1 ZINC000858623693 662117088 /nfs/dbraw/zinc/11/70/88/662117088.db2.gz NIIQMTYBDDELNG-GXTWGEPZSA-N 1 0 380.432 2.542 20 0 GFADRO CCC(F)(F)C(C)(C)CS(=O)(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000858985791 662130516 /nfs/dbraw/zinc/13/05/16/662130516.db2.gz PNSPCDODVFTZIZ-HNNXBMFYSA-N 1 0 382.517 2.621 20 0 GFADRO COC(=O)Nc1ccc(S(=O)(=O)N(C)[C@@H]2CC[N@@H+](C(C)C)C2)cc1Cl ZINC000859183328 662143402 /nfs/dbraw/zinc/14/34/02/662143402.db2.gz IPNCWMCTFLKPDU-GFCCVEGCSA-N 1 0 389.905 2.622 20 0 GFADRO CCN1C(=S)N=NC1CNC(=O)[C@@H]1CCCN1Cc1ccc(Cl)cc1 ZINC000859200476 662144205 /nfs/dbraw/zinc/14/42/05/662144205.db2.gz AGCZQGCOCYQZMG-AWEZNQCLSA-N 1 0 379.917 2.521 20 0 GFADRO CCN1C(=S)N=NC1CNC(=O)[C@H]1CCCN1Cc1ccc(Cl)cc1 ZINC000859200477 662144301 /nfs/dbraw/zinc/14/43/01/662144301.db2.gz AGCZQGCOCYQZMG-CQSZACIVSA-N 1 0 379.917 2.521 20 0 GFADRO C[N@H+](CCC1CN(C(=O)OC(C)(C)C)C1)CCn1cc(Br)cn1 ZINC000859306662 662152099 /nfs/dbraw/zinc/15/20/99/662152099.db2.gz SPAHKXZYXAPADM-UHFFFAOYSA-N 1 0 387.322 2.834 20 0 GFADRO CN(CCCN1CC[NH+](C)CC1)C(=O)/C=C\c1csc(C(F)(F)F)c1 ZINC000859320576 662153330 /nfs/dbraw/zinc/15/33/30/662153330.db2.gz HJHPWTODQWMGOG-PLNGDYQASA-N 1 0 375.460 2.876 20 0 GFADRO C[N@@H+]1CCCN(CCCNC(=O)/C=C/c2csc(C(F)(F)F)c2)CC1 ZINC000859364068 662156590 /nfs/dbraw/zinc/15/65/90/662156590.db2.gz FTNHMNQYHBOVAS-SNAWJCMRSA-N 1 0 375.460 2.924 20 0 GFADRO C[C@@H]([NH2+]CCCOC(=O)NC(N)=O)c1cc(F)c(Br)cc1F ZINC000859508447 662165551 /nfs/dbraw/zinc/16/55/51/662165551.db2.gz ZQBXAPLHXBOMDU-SSDOTTSWSA-N 1 0 380.189 2.573 20 0 GFADRO [NH3+]CC1(NC(=O)Nc2ccc(N3CCSCC3)c(Cl)c2)CCOCC1 ZINC000859642379 662171019 /nfs/dbraw/zinc/17/10/19/662171019.db2.gz JHMSYYFVLGHEOD-UHFFFAOYSA-N 1 0 384.933 2.523 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)Nc2ccnc(Br)c2)CC[C@H]1C(F)(F)F ZINC000859691877 662172708 /nfs/dbraw/zinc/17/27/08/662172708.db2.gz SGXIIKZUZCWOBO-WCBMZHEXSA-N 1 0 381.196 2.835 20 0 GFADRO COCC[N@@H+]1CCC[C@H]1COC(=O)c1ccccc1I ZINC000861032379 662225088 /nfs/dbraw/zinc/22/50/88/662225088.db2.gz NHLTUBNOZBHPQU-LBPRGKRZSA-N 1 0 389.233 2.559 20 0 GFADRO COCC[N@@H+]1CCC[C@H]1COC(=O)Cc1cc(OC)ccc1Br ZINC000861035287 662225109 /nfs/dbraw/zinc/22/51/09/662225109.db2.gz XQBYMLAHPWEEHX-AWEZNQCLSA-N 1 0 386.286 2.654 20 0 GFADRO CO[C@@H]1C[N@H+](C)[C@@](C)(COC(=O)c2cnc3ncc(Br)cc3c2)C1 ZINC000861347965 662241328 /nfs/dbraw/zinc/24/13/28/662241328.db2.gz MDSWYVDVZJCRIM-WMLDXEAASA-N 1 0 394.269 2.658 20 0 GFADRO CO[C@@H]1C[N@H+](C)[C@@](C)(COC(=O)c2c(C)nc3ccc(Br)cn32)C1 ZINC000861350757 662241649 /nfs/dbraw/zinc/24/16/49/662241649.db2.gz FPIJVPQPZYZMBM-SUMWQHHRSA-N 1 0 396.285 2.671 20 0 GFADRO CO[C@H]1C[N@H+](C)[C@](C)(COC(=O)Cc2sc(SC(F)F)nc2C)C1 ZINC000861354144 662242111 /nfs/dbraw/zinc/24/21/11/662242111.db2.gz XEEKWBMRJZBFGP-BMIGLBTASA-N 1 0 380.482 2.961 20 0 GFADRO C[NH+]1CCC(N(C[C@H](O)CC(C)(C)C)C(=O)[C@H]2C[C@]2(C)Br)CC1 ZINC000861524302 662249021 /nfs/dbraw/zinc/24/90/21/662249021.db2.gz VJWWGTMVXIBVPS-RKVPGOIHSA-N 1 0 389.378 2.880 20 0 GFADRO Cc1nc2c(s1)[C@H](NC(=O)N1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1)CCC2 ZINC000861619946 662251846 /nfs/dbraw/zinc/25/18/46/662251846.db2.gz RBFBQDLTORSESW-NQBHXWOUSA-N 1 0 376.448 2.998 20 0 GFADRO C[NH2+]CCOCCN(C)C(=O)N[C@@H]1CCOc2c(Cl)c(Cl)ccc21 ZINC000861626316 662252200 /nfs/dbraw/zinc/25/22/00/662252200.db2.gz OBNWUUUPAXZJJZ-CYBMUJFWSA-N 1 0 376.284 2.694 20 0 GFADRO C[C@@H]([NH3+])CN(C)C(=O)NCc1cc(Br)ccc1Br ZINC000861620167 662252285 /nfs/dbraw/zinc/25/22/85/662252285.db2.gz AWWRAMBLXVSNQU-MRVPVSSYSA-N 1 0 379.096 2.700 20 0 GFADRO CC[C@@H](C(=O)NCCC[N@H+](C)CCN(C)C)c1ccc(Br)cc1 ZINC000861742648 662257011 /nfs/dbraw/zinc/25/70/11/662257011.db2.gz HNWLAKSPYZYNCW-QGZVFWFLSA-N 1 0 384.362 2.942 20 0 GFADRO O=C(Nc1cccc(C[N@H+]2CC[C@H](O)C2)c1)c1cc(Br)cnc1F ZINC000861789745 662258721 /nfs/dbraw/zinc/25/87/21/662258721.db2.gz VWPOTTRLQZMLPW-AWEZNQCLSA-N 1 0 394.244 2.802 20 0 GFADRO O=C(/C=C\c1ccc(Br)o1)N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000861986468 662265650 /nfs/dbraw/zinc/26/56/50/662265650.db2.gz PBHOKUXFVWWEHM-HYXAFXHYSA-N 1 0 383.286 2.769 20 0 GFADRO O=C(NC[C@@H]1CC[N@@H+]1C1CCCC1)[C@@H]1Cc2cc(Br)ccc2O1 ZINC000863033715 662309082 /nfs/dbraw/zinc/30/90/82/662309082.db2.gz XPUPYQSFVKJKSW-RDJZCZTQSA-N 1 0 379.298 2.886 20 0 GFADRO [NH3+][C@H]1CC=C(c2nc(Cc3cccc(F)c3I)no2)C1 ZINC000863666383 662342830 /nfs/dbraw/zinc/34/28/30/662342830.db2.gz WQJVJHKXOFNPBY-JTQLQIEISA-N 1 0 385.180 2.909 20 0 GFADRO CC(C)n1ncc(C(=O)N2CCN(c3cc[nH+]cc3)CC2)c1Br ZINC000864602195 662381113 /nfs/dbraw/zinc/38/11/13/662381113.db2.gz LEADSNGLCSYOAS-UHFFFAOYSA-N 1 0 378.274 2.584 20 0 GFADRO C[NH+](C)Cc1ccc(C(=O)Nc2cc3c(cc2Br)OCCO3)cn1 ZINC000864656637 662382426 /nfs/dbraw/zinc/38/24/26/662382426.db2.gz JRUHTCNNQBYVKZ-UHFFFAOYSA-N 1 0 392.253 2.929 20 0 GFADRO O=C(Cc1ccc(Br)cc1Cl)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000865060937 662396861 /nfs/dbraw/zinc/39/68/61/662396861.db2.gz UMAMURWAGQTDFA-KBPBESRZSA-N 1 0 387.705 2.624 20 0 GFADRO CC[NH+]1CCC(N(C)C(=O)[C@@H](NC(C)=O)c2cccc(Br)c2)CC1 ZINC000865123002 662399991 /nfs/dbraw/zinc/39/99/91/662399991.db2.gz FCINNFYTISRXGF-KRWDZBQOSA-N 1 0 396.329 2.569 20 0 GFADRO COc1ccc(Cl)cc1NC(=S)N1CCC([NH+]2CCN(C)CC2)CC1 ZINC000865267807 662408703 /nfs/dbraw/zinc/40/87/03/662408703.db2.gz WECIYOHGVSAHRM-UHFFFAOYSA-N 1 0 382.961 2.757 20 0 GFADRO CN1C(=O)N(C[C@H]2C[C@@H]([NH+](C)C)C2)C(=O)[C@H]1c1ccc(Br)s1 ZINC000865311804 662412335 /nfs/dbraw/zinc/41/23/35/662412335.db2.gz KBHNLHODCHHOHQ-GBIKHYSHSA-N 1 0 386.315 2.786 20 0 GFADRO O=S(=O)(CCC[NH2+]Cc1cccnc1Br)Cc1ccccc1 ZINC000865420615 662420701 /nfs/dbraw/zinc/42/07/01/662420701.db2.gz RQTRHZYOOUVZAN-UHFFFAOYSA-N 1 0 383.311 2.939 20 0 GFADRO C[C@@H](C[C@@H](O)c1ccc(F)cc1)[NH2+]Cc1ccc(Cl)c(S(N)(=O)=O)c1 ZINC000865513993 662425843 /nfs/dbraw/zinc/42/58/43/662425843.db2.gz BDILJGXPTFNALC-MEDUHNTESA-N 1 0 386.876 2.728 20 0 GFADRO Cc1ccnc(C[NH2+]C[C@@H](Cc2ccc(F)cc2)C(N)=O)c1Br ZINC000865514888 662426127 /nfs/dbraw/zinc/42/61/27/662426127.db2.gz IUMKBFJBYQWIQP-CYBMUJFWSA-N 1 0 380.261 2.725 20 0 GFADRO CS(=O)(=O)Nc1ccc(OCC[NH2+]Cc2c(Cl)cncc2Cl)cc1 ZINC000865519212 662426518 /nfs/dbraw/zinc/42/65/18/662426518.db2.gz KAKGTNOSYINWEV-UHFFFAOYSA-N 1 0 390.292 2.929 20 0 GFADRO CC(=O)NCC1CCC([NH2+]C[C@@H](CO)Cc2ccc(Br)cc2)CC1 ZINC000865543610 662428213 /nfs/dbraw/zinc/42/82/13/662428213.db2.gz SEAYRTTYFOIVRL-HFCFLWKCSA-N 1 0 397.357 2.885 20 0 GFADRO COc1ccc(Br)cc1C[C@@H](CO)C[NH2+]Cc1cn(C2CC2)cn1 ZINC000865595086 662431418 /nfs/dbraw/zinc/43/14/18/662431418.db2.gz ZZRWQRMAVSQZFM-CYBMUJFWSA-N 1 0 394.313 2.930 20 0 GFADRO COc1cc(C[NH2+]C2CCC(CNC(C)=O)CC2)c(Br)cc1O ZINC000865614821 662432047 /nfs/dbraw/zinc/43/20/47/662432047.db2.gz QVMHOTAOSHVEBN-UHFFFAOYSA-N 1 0 385.302 2.948 20 0 GFADRO Brc1cccc2c1C[C@@H]1[C@H]([NH2+]Cc3cn(C[C@@H]4CCCO4)nn3)[C@H]21 ZINC000865657996 662434438 /nfs/dbraw/zinc/43/44/38/662434438.db2.gz UTLFWSOCGDXIAG-HZCDGDGTSA-N 1 0 389.297 2.648 20 0 GFADRO CC(C)n1ncc(C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)c1Br ZINC000865789830 662443653 /nfs/dbraw/zinc/44/36/53/662443653.db2.gz VCEGOMFPKKXFKR-CQSZACIVSA-N 1 0 399.333 2.600 20 0 GFADRO CCC1([NH+]2CCCC2)CCN(c2ncnc3c2c(Br)nn3C)CC1 ZINC000866022863 662457002 /nfs/dbraw/zinc/45/70/02/662457002.db2.gz DXVJWIHLUMPNGW-UHFFFAOYSA-N 1 0 393.333 2.971 20 0 GFADRO CN1CC[NH+](C2CCN(c3ncnc4cc(Br)sc43)CC2)CC1 ZINC000866210651 662464590 /nfs/dbraw/zinc/46/45/90/662464590.db2.gz AFCXRDHWKXJCPA-UHFFFAOYSA-N 1 0 396.358 2.670 20 0 GFADRO C[C@H]([NH2+]C[C@@]12COC(=O)N1CCOC2)c1cc(F)c(Br)cc1F ZINC000866523988 662478953 /nfs/dbraw/zinc/47/89/53/662478953.db2.gz XMRAALQJXADWGP-BJOHPYRUSA-N 1 0 391.212 2.599 20 0 GFADRO CNS(=O)(=O)c1ccc(CC[NH2+][C@@H](C)c2cnc(OC)c(Cl)c2)cc1 ZINC000866579980 662481519 /nfs/dbraw/zinc/48/15/19/662481519.db2.gz WCPSDEBFRAFMLH-LBPRGKRZSA-N 1 0 383.901 2.545 20 0 GFADRO Brc1cccc2c1C[C@H]([NH2+]C1CCN([C@H]3CCOC3)CC1)CO2 ZINC000866594737 662482842 /nfs/dbraw/zinc/48/28/42/662482842.db2.gz MGZDSVRRALAYLO-GJZGRUSLSA-N 1 0 381.314 2.596 20 0 GFADRO C[C@H](Cc1ccc(Br)c(F)c1)[NH2+]Cc1nc2c(c(=O)[nH]1)COCC2 ZINC000866627293 662484464 /nfs/dbraw/zinc/48/44/64/662484464.db2.gz BTLHXMYKMLRJSD-SNVBAGLBSA-N 1 0 396.260 2.877 20 0 GFADRO CS(=O)(=O)c1ccc(-c2nc(CN3CCC[C@@H]4[NH2+]CC[C@@H]43)cs2)cc1 ZINC000866725883 662492209 /nfs/dbraw/zinc/49/22/09/662492209.db2.gz QZHNVNWEDSBVHP-IRXDYDNUSA-N 1 0 377.535 2.540 20 0 GFADRO O=S(=O)(c1oc2ccccc2c1Br)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000866743716 662493756 /nfs/dbraw/zinc/49/37/56/662493756.db2.gz ZPJQXGYHAGIROG-LLVKDONJSA-N 1 0 385.283 2.710 20 0 GFADRO C[NH2+]C[C@@H]1C[C@H](F)CN1S(=O)(=O)c1oc2ccccc2c1Br ZINC000866764648 662495714 /nfs/dbraw/zinc/49/57/14/662495714.db2.gz VSSYWZUULCHPNF-UWVGGRQHSA-N 1 0 391.262 2.516 20 0 GFADRO O=S(=O)(c1oc2ccccc2c1Br)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000866765715 662495805 /nfs/dbraw/zinc/49/58/05/662495805.db2.gz AFUVBZVQAOWEOA-ZYHUDNBSSA-N 1 0 385.283 2.568 20 0 GFADRO Cc1ccc(Br)c(CS(=O)(=O)N2CCC(CC[NH3+])CC2)c1 ZINC000866774104 662496999 /nfs/dbraw/zinc/49/69/99/662496999.db2.gz IKCKRDUOKHKTPL-UHFFFAOYSA-N 1 0 375.332 2.648 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(S(=O)(=O)Cc3ccc(F)cc3Cl)C2)C1 ZINC000866775263 662497172 /nfs/dbraw/zinc/49/71/72/662497172.db2.gz YXHQUWAXQFHJQU-MJEQTWJJSA-N 1 0 390.908 2.527 20 0 GFADRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2cc(Br)cn3ccnc23)C1 ZINC000866777009 662497472 /nfs/dbraw/zinc/49/74/72/662497472.db2.gz NPTJNJPGKNOGFQ-SWLSCSKDSA-N 1 0 377.286 2.653 20 0 GFADRO CC(=O)c1ccc(Cl)c(S(=O)(=O)NCc2cccc3c2CC[NH2+]C3)c1 ZINC000866783381 662498159 /nfs/dbraw/zinc/49/81/59/662498159.db2.gz JQVSLDKNIOETLH-UHFFFAOYSA-N 1 0 378.881 2.667 20 0 GFADRO COc1ccc2nc(Cl)ccc2c1S(=O)(=O)N1C2CCC1(C[NH3+])CC2 ZINC000866795600 662499190 /nfs/dbraw/zinc/49/91/90/662499190.db2.gz BHTQOTCCRSYWCI-UHFFFAOYSA-N 1 0 381.885 2.541 20 0 GFADRO O=S(=O)(c1oc2ccccc2c1Br)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000866821832 662501952 /nfs/dbraw/zinc/50/19/52/662501952.db2.gz AXLPRQAHMUEZNN-NEPJUHHUSA-N 1 0 385.283 2.710 20 0 GFADRO COCCC1(NS(=O)(=O)c2c(Cl)ccc(C)c2Cl)CC[NH2+]CC1 ZINC000866821307 662501955 /nfs/dbraw/zinc/50/19/55/662501955.db2.gz ZEFXHQVTMCUXNW-UHFFFAOYSA-N 1 0 381.325 2.739 20 0 GFADRO C[NH+](C)C[C@](C)(O)CNC(=O)c1cnc(-c2ccccc2Br)s1 ZINC000866920855 662508755 /nfs/dbraw/zinc/50/87/55/662508755.db2.gz HVUPLCPWVNKCEV-MRXNPFEDSA-N 1 0 398.326 2.615 20 0 GFADRO C[NH+](C)CCc1ccc(CNS(=O)(=O)C[C@]2(C)CC2(Cl)Cl)cc1 ZINC000867162495 662527859 /nfs/dbraw/zinc/52/78/59/662527859.db2.gz NJHOZJYHSRXUTF-HNNXBMFYSA-N 1 0 379.353 2.794 20 0 GFADRO C/C(=C/c1ccc(Br)o1)C(=O)N[C@@H](C)CC[NH+]1CCN(C)CC1 ZINC000867479888 662553017 /nfs/dbraw/zinc/55/30/17/662553017.db2.gz LZQFTQFMKVPPLI-DINCDJDBSA-N 1 0 384.318 2.588 20 0 GFADRO C[NH+]1CCC2(CCN(S(=O)(=O)c3cccnc3C(F)(F)F)CC2)CC1 ZINC000867619390 662563457 /nfs/dbraw/zinc/56/34/57/662563457.db2.gz SRBSZZIOPSAOJW-UHFFFAOYSA-N 1 0 377.432 2.597 20 0 GFADRO Cc1ncc2c(n1)CCC[C@H]2NC(=O)[C@H]([NH3+])c1cccc(Br)c1 ZINC000867927147 662587687 /nfs/dbraw/zinc/58/76/87/662587687.db2.gz CCCVNGRFPAYXHC-HZPDHXFCSA-N 1 0 375.270 2.741 20 0 GFADRO [NH3+][C@H](C(=O)Nc1ccc(N2CCOCC2)cc1)c1cccc(Br)c1 ZINC000867953629 662589057 /nfs/dbraw/zinc/58/90/57/662589057.db2.gz BUHVICJSBSYHAT-KRWDZBQOSA-N 1 0 390.281 2.924 20 0 GFADRO CC(C)(CNC(=O)NCc1ncc(Br)s1)[NH+]1CCCCC1 ZINC000867982500 662590514 /nfs/dbraw/zinc/59/05/14/662590514.db2.gz CZAWBBRYILHWRN-UHFFFAOYSA-N 1 0 375.336 2.969 20 0 GFADRO C[C@H](NC(=O)c1ccc(-n2cc(Br)cn2)cc1)C1CC[NH2+]CC1 ZINC000868011761 662591249 /nfs/dbraw/zinc/59/12/49/662591249.db2.gz WAJFBRBPZPQXBX-LBPRGKRZSA-N 1 0 377.286 2.753 20 0 GFADRO O=C(Nc1cnn(-c2ccccc2Br)c1)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000868138176 662595665 /nfs/dbraw/zinc/59/56/65/662595665.db2.gz GXYRFPGCLFZGRM-ZBFHGGJFSA-N 1 0 390.285 2.993 20 0 GFADRO COCCC1(NC(=O)Nc2cnc(Cl)c(Br)c2)CC[NH2+]CC1 ZINC000868146442 662596179 /nfs/dbraw/zinc/59/61/79/662596179.db2.gz CIJKBUYZYHZZMO-UHFFFAOYSA-N 1 0 391.697 2.778 20 0 GFADRO COc1ccc(Br)cc1CNC(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000868177997 662597801 /nfs/dbraw/zinc/59/78/01/662597801.db2.gz UPVVMYAZNZNFLR-DOMZBBRYSA-N 1 0 382.302 2.693 20 0 GFADRO COc1ncc(Br)cc1CNC(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000868175680 662597858 /nfs/dbraw/zinc/59/78/58/662597858.db2.gz GZCPGGLBOOSBIM-LSDHHAIUSA-N 1 0 391.269 2.989 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)c(Br)c1 ZINC000868307200 662601533 /nfs/dbraw/zinc/60/15/33/662601533.db2.gz SDIPPQIFQIOORQ-BTTYYORXSA-N 1 0 394.313 2.651 20 0 GFADRO O=C(c1ccc2ccc(Br)cc2c1)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000868342447 662602408 /nfs/dbraw/zinc/60/24/08/662602408.db2.gz BGSKPYHHQMTTCY-ZWKOTPCHSA-N 1 0 389.293 2.883 20 0 GFADRO O=C(NCc1ccc(Br)cn1)NCC1CC[NH+](CC2CC2)CC1 ZINC000868790528 662619475 /nfs/dbraw/zinc/61/94/75/662619475.db2.gz ADRITCIRDCEDET-UHFFFAOYSA-N 1 0 381.318 2.765 20 0 GFADRO CC(=O)N[C@@H](C(=O)NCCCC[N@@H+](C)C1CC1)c1cccc(Br)c1 ZINC000868822741 662620939 /nfs/dbraw/zinc/62/09/39/662620939.db2.gz MYGNUIOVVYHJBV-QGZVFWFLSA-N 1 0 396.329 2.617 20 0 GFADRO C[C@H](Sc1nc2ccccc2s1)C(=O)N[C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC000869778470 662661237 /nfs/dbraw/zinc/66/12/37/662661237.db2.gz BCKPYFGOJLRWFF-STQMWFEESA-N 1 0 379.551 2.738 20 0 GFADRO Cc1cc(Br)cc(Cl)c1C(=O)N[C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC000869778951 662661547 /nfs/dbraw/zinc/66/15/47/662661547.db2.gz NCCJMMHEHLYXBE-LBPRGKRZSA-N 1 0 389.721 2.986 20 0 GFADRO [NH3+][C@H](C(=O)N1CCCN(CC(F)(F)F)CC1)c1cccc(Br)c1 ZINC000870864949 662703979 /nfs/dbraw/zinc/70/39/79/662703979.db2.gz SFCKLTAYPGDQQF-ZDUSSCGKSA-N 1 0 394.235 2.546 20 0 GFADRO [NH3+][C@@H](C(=O)N1CCC([C@@H](O)C(F)(F)F)CC1)c1cccc(Br)c1 ZINC000870906989 662707751 /nfs/dbraw/zinc/70/77/51/662707751.db2.gz NMVLOXLQDBYPRX-CHWSQXEVSA-N 1 0 395.219 2.611 20 0 GFADRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)c1c(F)ccc(I)c1Cl ZINC000870940192 662709335 /nfs/dbraw/zinc/70/93/35/662709335.db2.gz IMQWWEGFCDLVCD-OIBJUYFYSA-N 1 0 396.631 2.812 20 0 GFADRO C[C@H]1C[C@H](NC(=O)c2c(F)ccc(I)c2Cl)CC[NH2+]1 ZINC000870942283 662709660 /nfs/dbraw/zinc/70/96/60/662709660.db2.gz KFVWNPORYAXBCF-JGVFFNPUSA-N 1 0 396.631 2.954 20 0 GFADRO C[NH+]1CCC(CC(=O)N[C@@](C)(CO)Cc2ccc(Br)cc2)CC1 ZINC000870943527 662710033 /nfs/dbraw/zinc/71/00/33/662710033.db2.gz OIEHOTSPYGXUKE-GOSISDBHSA-N 1 0 383.330 2.591 20 0 GFADRO C[C@H](NC(=O)[C@@H]1CCN(c2cc(Cl)ccc2Cl)C1=O)C1CC[NH2+]CC1 ZINC000870986775 662712180 /nfs/dbraw/zinc/71/21/80/662712180.db2.gz PFKHPWGAFWYRBD-FZMZJTMJSA-N 1 0 384.307 2.851 20 0 GFADRO Cn1c(-c2ccccc2Br)nnc1N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000871048267 662714173 /nfs/dbraw/zinc/71/41/73/662714173.db2.gz MZQDXOKOWAHPGQ-DOMZBBRYSA-N 1 0 376.302 2.775 20 0 GFADRO [NH3+]C[C@H]1CN(S(=O)(=O)c2ccc3ccnc(Cl)c3c2)C[C@@H]1C(F)(F)F ZINC000871812460 662735081 /nfs/dbraw/zinc/73/50/81/662735081.db2.gz HDFLQNMKUOHMOM-GWCFXTLKSA-N 1 0 393.818 2.646 20 0 GFADRO Cn1ncc(I)c1C[NH2+]C[C@H](O)c1cccc(Cl)c1 ZINC000872243332 662759046 /nfs/dbraw/zinc/75/90/46/662759046.db2.gz XBUYZKLYJIHYFC-ZDUSSCGKSA-N 1 0 391.640 2.501 20 0 GFADRO C[C@@H]1CN(CC[NH2+][C@@H](c2cccc(Br)c2)[C@H]2CCOC2)CCO1 ZINC000872035818 662754475 /nfs/dbraw/zinc/75/44/75/662754475.db2.gz ZBOOAHVBBUCAFA-HFTRVMKXSA-N 1 0 383.330 2.837 20 0 GFADRO CC1(C)C[C@@H]([NH2+]CCNS(=O)(=O)Cc2ccon2)c2ccccc2S1 ZINC000872041482 662754702 /nfs/dbraw/zinc/75/47/02/662754702.db2.gz ILXOCUYAFPSHHH-OAHLLOKOSA-N 1 0 381.523 2.699 20 0 GFADRO OCCCN1CCC[C@@H]1C[NH2+][C@H](c1cccc(Br)c1)[C@H]1CCOC1 ZINC000872075644 662755298 /nfs/dbraw/zinc/75/52/98/662755298.db2.gz TUFGCGGFYZLUFW-QXAKKESOSA-N 1 0 397.357 2.963 20 0 GFADRO CS(=O)(=O)CCCC[NH2+][C@H](c1cccc(Br)c1)[C@@H]1CCOC1 ZINC000872079864 662755427 /nfs/dbraw/zinc/75/54/27/662755427.db2.gz LTHWREXTPXRSNH-GDBMZVCRSA-N 1 0 390.343 2.941 20 0 GFADRO Cn1nnc2c1CC[C@H]([NH2+][C@H](c1cccc(Br)c1)[C@H]1CCOC1)C2 ZINC000872083719 662755568 /nfs/dbraw/zinc/75/55/68/662755568.db2.gz NXEYGGMNSZZVRH-DHSIGJKJSA-N 1 0 391.313 2.802 20 0 GFADRO CCN1C[C@H](C[NH2+][C@H](c2cccc(Br)c2)[C@H]2CCOC2)CC1=O ZINC000872084910 662755652 /nfs/dbraw/zinc/75/56/52/662755652.db2.gz VJXRKHYFFOITQY-DHSIGJKJSA-N 1 0 381.314 2.985 20 0 GFADRO CC(C)(O)CN1CC[C@H]([NH2+][C@H](c2cccc(Br)c2)[C@@H]2CCOC2)C1 ZINC000872090575 662755796 /nfs/dbraw/zinc/75/57/96/662755796.db2.gz CBQYDTGPQKFIHR-BPQIPLTHSA-N 1 0 397.357 2.962 20 0 GFADRO C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000872150755 662756832 /nfs/dbraw/zinc/75/68/32/662756832.db2.gz RPRFHXSBRGEWBR-AAVRWANBSA-N 1 0 375.460 2.869 20 0 GFADRO CN(C)c1ccc(-c2noc([C@@]3(C[NH3+])CCCOC3)n2)cc1Br ZINC000872183040 662757536 /nfs/dbraw/zinc/75/75/36/662757536.db2.gz YMOFBCUTRDDKDJ-MRXNPFEDSA-N 1 0 381.274 2.572 20 0 GFADRO O[C@@H](C[NH2+]C[C@H]1CCC12CCOCC2)COc1ccc(Br)cc1 ZINC000872228635 662758462 /nfs/dbraw/zinc/75/84/62/662758462.db2.gz IARNWXBDFXWCTM-ZBFHGGJFSA-N 1 0 384.314 2.985 20 0 GFADRO O[C@@H](C[NH2+]C[C@@H]1CC2(CO1)CCOCC2)COc1ccc(Cl)cc1Cl ZINC000872230718 662758519 /nfs/dbraw/zinc/75/85/19/662758519.db2.gz HVZJDNKGMJKZCH-GJZGRUSLSA-N 1 0 390.307 2.908 20 0 GFADRO O=C(C[NH2+][C@]12CCC[C@H]1OCC2)Nc1ccccc1I ZINC000872313915 662760197 /nfs/dbraw/zinc/76/01/97/662760197.db2.gz SSFVJTQSDCDPSQ-HIFRSBDPSA-N 1 0 386.233 2.531 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(S(=O)(=O)N=[S@@](C)(=O)C(C)(C)C)C1 ZINC000872449872 662767924 /nfs/dbraw/zinc/76/79/24/662767924.db2.gz UDIDTBYXRUPDPF-JOWJHRDDSA-N 1 0 393.619 2.714 20 0 GFADRO O=S(=O)(CCC[NH+]1CCCC1)NCc1cc(C(F)(F)F)cc(Cl)n1 ZINC000872569820 662777658 /nfs/dbraw/zinc/77/76/58/662777658.db2.gz CBIFOGRTCKZSOJ-UHFFFAOYSA-N 1 0 385.839 2.659 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(Cn3nc4ccc(Br)cn4c3=S)CC[C@@H]21 ZINC000872724632 662786798 /nfs/dbraw/zinc/78/67/98/662786798.db2.gz VVYKJWMPHXKXRV-YPMHNXCESA-N 1 0 382.331 2.611 20 0 GFADRO CCS(=O)(=O)N1CCC([NH2+]Cc2c(C)ccc(Br)c2F)CC1 ZINC000873011014 662796270 /nfs/dbraw/zinc/79/62/70/662796270.db2.gz SNLHJRPZSHDCIQ-UHFFFAOYSA-N 1 0 393.322 2.800 20 0 GFADRO CNC(=O)C1CCC([NH2+]Cc2cccc(F)c2I)CC1 ZINC000873025720 662796733 /nfs/dbraw/zinc/79/67/33/662796733.db2.gz FTLPHEMANDXWCB-UHFFFAOYSA-N 1 0 390.240 2.825 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)C(=O)Nc2ccc(Cl)cc2Cl)C[C@@H]1C(F)(F)F ZINC000873103548 662799767 /nfs/dbraw/zinc/79/97/67/662799767.db2.gz FYUUTIZRXDLZFD-CBAPKCEASA-N 1 0 384.185 2.528 20 0 GFADRO C[C@H]([NH2+]Cc1c(Br)c2ccccc2n1C)C1(S(C)(=O)=O)CC1 ZINC000873125426 662800705 /nfs/dbraw/zinc/80/07/05/662800705.db2.gz MQZUBWRZMDPODJ-NSHDSACASA-N 1 0 385.327 2.996 20 0 GFADRO CO[C@H](C[NH2+]Cc1cccc(F)c1I)[C@@H]1CCOC1 ZINC000873133502 662801059 /nfs/dbraw/zinc/80/10/59/662801059.db2.gz DTLPPQBLVSPMCZ-DGCLKSJQSA-N 1 0 379.213 2.571 20 0 GFADRO [NH3+]C[C@@H]1CN(Cc2cc(Br)c3c(c2)OCCO3)C[C@H]1C(F)(F)F ZINC000873227852 662804275 /nfs/dbraw/zinc/80/42/75/662804275.db2.gz OAVLLMXXBLDBDY-GHMZBOCLSA-N 1 0 395.219 2.789 20 0 GFADRO [NH3+]C[C@H]1CN(Cc2cc(Br)c3c(c2)OCCO3)C[C@H]1C(F)(F)F ZINC000873227858 662804279 /nfs/dbraw/zinc/80/42/79/662804279.db2.gz OAVLLMXXBLDBDY-WDEREUQCSA-N 1 0 395.219 2.789 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)Nc2nc(C3CCOCC3)cs2)C[C@H]1C(F)(F)F ZINC000873323853 662805496 /nfs/dbraw/zinc/80/54/96/662805496.db2.gz IDHJGNMTUHXEHT-WDEREUQCSA-N 1 0 378.420 2.638 20 0 GFADRO Cc1ncc(Br)cc1NC(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000873326561 662805590 /nfs/dbraw/zinc/80/55/90/662805590.db2.gz BVMZKLQKFPRWGW-SCZZXKLOSA-N 1 0 381.196 2.753 20 0 GFADRO CCc1ccc(Br)c(NC(=O)C(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)c1 ZINC000873818111 662815270 /nfs/dbraw/zinc/81/52/70/662815270.db2.gz WEYCYJGGLPQJRR-CQSZACIVSA-N 1 0 396.329 2.750 20 0 GFADRO C[C@@H](CCNC(=O)C(=O)Nc1c(F)cc(Cl)cc1Br)[NH+](C)C ZINC000873940839 662819341 /nfs/dbraw/zinc/81/93/41/662819341.db2.gz ZKZUCQXFVCMWKE-QMMMGPOBSA-N 1 0 394.672 2.637 20 0 GFADRO O=C(C[NH+]1CCCC1)N1CCC(C(=O)Nc2cccc(Br)c2)CC1 ZINC000874266818 662827028 /nfs/dbraw/zinc/82/70/28/662827028.db2.gz PWAGZBNLWGPRJR-UHFFFAOYSA-N 1 0 394.313 2.722 20 0 GFADRO C[C@@H]1CN(C(=O)C2CC[NH+]([C@H]3CCSC3)CC2)CC[C@@H](C(F)(F)F)O1 ZINC000874561984 662833699 /nfs/dbraw/zinc/83/36/99/662833699.db2.gz LTRVFPKMPCVNMK-SNPRPXQTSA-N 1 0 380.476 2.772 20 0 GFADRO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)c1cc(I)ccc1F ZINC000874837903 662837934 /nfs/dbraw/zinc/83/79/34/662837934.db2.gz MCUBIVYQCBJBKR-UONOGXRCSA-N 1 0 388.224 2.739 20 0 GFADRO C[N@@H+]1CCC[C@H]2[C@H]1CCN2C(=O)c1cc(F)ccc1I ZINC000874840742 662838170 /nfs/dbraw/zinc/83/81/70/662838170.db2.gz RBKCZGUSVODYAR-KGLIPLIRSA-N 1 0 388.224 2.739 20 0 GFADRO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)c1ccc(-n2cc(Br)cn2)cc1 ZINC000874845908 662838341 /nfs/dbraw/zinc/83/83/41/662838341.db2.gz YPHLDDKPXWUOLG-IRXDYDNUSA-N 1 0 389.297 2.944 20 0 GFADRO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)NCc1ncc(Br)s1 ZINC000875132886 662842295 /nfs/dbraw/zinc/84/22/95/662842295.db2.gz FOTBOCXZRZGBPL-CYBMUJFWSA-N 1 0 397.342 2.878 20 0 GFADRO Cn1nccc1CCNC(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000875493999 662846832 /nfs/dbraw/zinc/84/68/32/662846832.db2.gz HMORUGFOYZLKGO-INIZCTEOSA-N 1 0 384.311 2.872 20 0 GFADRO C[C@H]1CCN(C(=O)NCc2ccc(Br)cn2)C[C@H]1n1ccnc1 ZINC000876215031 662856889 /nfs/dbraw/zinc/85/68/89/662856889.db2.gz JBWONPHRESRLFR-SWLSCSKDSA-N 1 0 378.274 2.833 20 0 GFADRO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)NCc2ccc(Br)cn2)C1 ZINC000876215792 662856914 /nfs/dbraw/zinc/85/69/14/662856914.db2.gz XTMWEYPQTVISBF-CQSZACIVSA-N 1 0 381.318 2.717 20 0 GFADRO O=C(NCc1cc(Cl)cc(Cl)c1F)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000876224369 662857158 /nfs/dbraw/zinc/85/71/58/662857158.db2.gz MEFZZBSALQIDGS-CQSZACIVSA-N 1 0 390.286 2.873 20 0 GFADRO CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)[C@H](F)[C@@H]1CC[NH2+]C1 ZINC000876568988 662862942 /nfs/dbraw/zinc/86/29/42/662862942.db2.gz BPHGQHPKYHPENE-QMTHXVAHSA-N 1 0 376.259 2.728 20 0 GFADRO CCOC(=O)[C@H](Cc1cc(Cl)cc(Cl)c1)NC(=O)[C@H](F)[C@H]1CC[NH2+]C1 ZINC000876703941 662864960 /nfs/dbraw/zinc/86/49/60/662864960.db2.gz PEZSGQPFFYGOQH-TUKIKUTGSA-N 1 0 391.270 2.531 20 0 GFADRO CC1(C)[C@@H]([NH3+])C[C@@H]1C(=O)Nc1cc(Br)ccc1N1CCOCC1 ZINC000876712241 662865205 /nfs/dbraw/zinc/86/52/05/662865205.db2.gz CRKXUOWQIFESRR-DOMZBBRYSA-N 1 0 382.302 2.598 20 0 GFADRO CC[N@H+](C[C@@H]1CCCCN(C(=O)OC(C)(C)C)C1)[C@@H](C)CS(C)(=O)=O ZINC000876737105 662865632 /nfs/dbraw/zinc/86/56/32/662865632.db2.gz QPTPAXZCTLACFB-HOTGVXAUSA-N 1 0 376.563 2.779 20 0 GFADRO O=C(/C=C/[C@@H]1CCC[NH2+]C1)NC[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000876737832 662865691 /nfs/dbraw/zinc/86/56/91/662865691.db2.gz WGKIVLJPFGUVIV-BUWFCSEKSA-N 1 0 392.341 2.947 20 0 GFADRO CC(C)C[N@@H+](Cc1ccc(S(N)(=O)=O)s1)C[C@@H](O)c1ccc(F)cc1 ZINC000876745603 662865702 /nfs/dbraw/zinc/86/57/02/662865702.db2.gz NZDMZNMXMQDYMY-MRXNPFEDSA-N 1 0 386.514 2.726 20 0 GFADRO CC[N@@H+](Cc1ccc(Cl)c(S(N)(=O)=O)c1)C[C@H](O)c1ccc(C)cc1 ZINC000876764378 662865986 /nfs/dbraw/zinc/86/59/86/662865986.db2.gz MMJMPIOXSMIGAC-KRWDZBQOSA-N 1 0 382.913 2.851 20 0 GFADRO C[N@H+](C[C@@H]1CCCCN(C(=O)OC(C)(C)C)C1)CC(C)(C)S(C)(=O)=O ZINC000876780210 662866288 /nfs/dbraw/zinc/86/62/88/662866288.db2.gz SGJNWKUYGHHMOD-HNNXBMFYSA-N 1 0 376.563 2.779 20 0 GFADRO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(C(=O)C(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000876919307 662868115 /nfs/dbraw/zinc/86/81/15/662868115.db2.gz SQMIYKJXILULHL-NVXWUHKLSA-N 1 0 385.291 2.921 20 0 GFADRO CCO[P@@](C)(=O)CC[C@H](C)[NH2+]Cc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000876938337 662868461 /nfs/dbraw/zinc/86/84/61/662868461.db2.gz AEFLQJPKELZBSJ-LFVRLGFBSA-N 1 0 376.459 2.750 20 0 GFADRO [NH3+][C@H](C(=O)N1C[C@]23COC[C@@]2(C1)CCCC3)c1cccc(Br)c1 ZINC000876980534 662869124 /nfs/dbraw/zinc/86/91/24/662869124.db2.gz GJEIHRCIVNLGJO-RYQLBKOJSA-N 1 0 379.298 2.868 20 0 GFADRO C[NH2+]CCOCCN(C)C(=O)c1ccc(-c2ccccc2Br)n1C ZINC000877028601 662869937 /nfs/dbraw/zinc/86/99/37/662869937.db2.gz AUYFNQOWZPWXDC-UHFFFAOYSA-N 1 0 394.313 2.763 20 0 GFADRO C[C@H]([NH2+]Cc1cccc(S(N)(=O)=O)c1)[C@H](O)c1c(Cl)cccc1Cl ZINC000877067800 662870615 /nfs/dbraw/zinc/87/06/15/662870615.db2.gz IXFSIOMHVKSMGT-QFYYESIMSA-N 1 0 389.304 2.853 20 0 GFADRO C[C@H](C[NH2+]CC1CCS(=O)(=O)CC1)Oc1ccccc1Br ZINC000877083122 662870895 /nfs/dbraw/zinc/87/08/95/662870895.db2.gz IGFJIDZSCQPPAX-GFCCVEGCSA-N 1 0 376.316 2.631 20 0 GFADRO O[C@@H]1CCC[C@H]1[NH+]1CCC(NCc2nc(Cl)ccc2Br)CC1 ZINC000877089591 662871002 /nfs/dbraw/zinc/87/10/02/662871002.db2.gz OKQRHYSCSPWNGR-HUUCEWRRSA-N 1 0 388.737 2.965 20 0 GFADRO Cc1nn(Cc2cccc(Br)c2)c(C)c1C(=O)N(C)C[C@@H](C)[NH3+] ZINC000877100694 662871087 /nfs/dbraw/zinc/87/10/87/662871087.db2.gz AOSGHUWIRKHXDL-LLVKDONJSA-N 1 0 379.302 2.730 20 0 GFADRO CN(CC[NH2+]Cc1cc2c(ccnc2Cl)o1)S(=O)(=O)c1cccs1 ZINC000877115619 662871340 /nfs/dbraw/zinc/87/13/40/662871340.db2.gz RCQFBRZHGDOOOG-UHFFFAOYSA-N 1 0 385.898 2.953 20 0 GFADRO CN(C[C@H](O)COc1cc(Cl)cc(Cl)c1)C(=O)[C@H]1CC[C@@H]([NH3+])CC1 ZINC000877129608 662871449 /nfs/dbraw/zinc/87/14/49/662871449.db2.gz DJDWJMWPHNCPCW-GLQYFDAESA-N 1 0 375.296 2.709 20 0 GFADRO C[C@](O)(C[NH2+]Cc1cnn2cc(Br)cnc12)c1ccc(F)cc1 ZINC000877127409 662871477 /nfs/dbraw/zinc/87/14/77/662871477.db2.gz GOIYMNGGBILMMB-INIZCTEOSA-N 1 0 379.233 2.628 20 0 GFADRO COc1ccc(Br)cc1C(=O)CCC(=O)N1C2CCC1(C[NH3+])CC2 ZINC000877193071 662872162 /nfs/dbraw/zinc/87/21/62/662872162.db2.gz VZNXDWBSCSVKNV-UHFFFAOYSA-N 1 0 395.297 2.903 20 0 GFADRO CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)c2cc(Br)c3nccn3c2)C1 ZINC000877257093 662872535 /nfs/dbraw/zinc/87/25/35/662872535.db2.gz LFONJMDQMDPJOU-KRWDZBQOSA-N 1 0 379.302 2.934 20 0 GFADRO CC(C)(C)[C@@]1(C[NH3+])CCN(C(=O)c2ccc(Cl)c(NS(C)(=O)=O)c2)C1 ZINC000877258550 662872618 /nfs/dbraw/zinc/87/26/18/662872618.db2.gz OSUJUVSIVGVILP-QGZVFWFLSA-N 1 0 387.933 2.549 20 0 GFADRO COC[C@H](NC(=O)c1csc(CC[NH3+])n1)c1cccc(Br)c1 ZINC000877262595 662872703 /nfs/dbraw/zinc/87/27/03/662872703.db2.gz IZIZCJMJTRJGMX-LBPRGKRZSA-N 1 0 384.299 2.524 20 0 GFADRO [NH3+]C[C@@H]1OCC[C@H]1C(=O)Nc1ccc(Br)c(Br)c1 ZINC000877267621 662872804 /nfs/dbraw/zinc/87/28/04/662872804.db2.gz ZGVGWPQFWFOOIK-KCJUWKMLSA-N 1 0 378.064 2.514 20 0 GFADRO O=C(c1nn(-c2ccc(F)cc2)cc1Br)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000877278123 662872951 /nfs/dbraw/zinc/87/29/51/662872951.db2.gz LVVYMIHWEHSQEF-GJZGRUSLSA-N 1 0 393.260 2.740 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000877277754 662872970 /nfs/dbraw/zinc/87/29/70/662872970.db2.gz ONSMTVFKCQQMOH-DLBZAZTESA-N 1 0 389.297 2.910 20 0 GFADRO Cc1cc(C(=O)N2CCC[C@H]3[NH2+]CC[C@H]32)nn1-c1ccc(Br)cc1 ZINC000877281072 662873115 /nfs/dbraw/zinc/87/31/15/662873115.db2.gz YMAKZEDAMHEMHI-NVXWUHKLSA-N 1 0 389.297 2.910 20 0 GFADRO O=C(c1[nH]nc(-c2ccccc2)c1Br)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000877283041 662873156 /nfs/dbraw/zinc/87/31/56/662873156.db2.gz UNUMDKVWYNLJPJ-QWHCGFSZSA-N 1 0 375.270 2.806 20 0 GFADRO O=C(NC[C@H]1CC2(CO1)CC[NH2+]CC2)[C@@H]1CCc2cc(Br)ccc21 ZINC000877328379 662873622 /nfs/dbraw/zinc/87/36/22/662873622.db2.gz FVZDWUJVJJVTQZ-NVXWUHKLSA-N 1 0 393.325 2.754 20 0 GFADRO O=C(NC[C@H]1CC2(CO1)CC[NH2+]CC2)c1[nH]c2ccccc2c1Br ZINC000877328302 662873655 /nfs/dbraw/zinc/87/36/55/662873655.db2.gz IJNZYNCPNKBBBB-GFCCVEGCSA-N 1 0 392.297 2.819 20 0 GFADRO C[C@@H](C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2)c1ccc(Br)s1 ZINC000877332688 662873841 /nfs/dbraw/zinc/87/38/41/662873841.db2.gz GFIOTLRTSKEEIB-NEPJUHHUSA-N 1 0 387.343 2.889 20 0 GFADRO Cc1ccc(CC(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)cc1Br ZINC000877356622 662874289 /nfs/dbraw/zinc/87/42/89/662874289.db2.gz HESFKMLPQORHNG-NEPJUHHUSA-N 1 0 379.220 2.896 20 0 GFADRO COc1ccc(C(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)cc1Br ZINC000877368137 662874852 /nfs/dbraw/zinc/87/48/52/662874852.db2.gz HGVPPNDGMPLFJG-NXEZZACHSA-N 1 0 381.192 2.667 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)Cc2ccc(F)c(Br)c2)C[C@H]1C(F)(F)F ZINC000877369757 662874915 /nfs/dbraw/zinc/87/49/15/662874915.db2.gz XRFSNEWEGCERRA-VHSXEESVSA-N 1 0 383.183 2.726 20 0 GFADRO O=C(N[C@@]12CCC[C@@H]1[NH2+]CC2)c1ncc(Br)cc1Br ZINC000877389686 662875273 /nfs/dbraw/zinc/87/52/73/662875273.db2.gz OIVXPDZSSRWUIL-GXFFZTMASA-N 1 0 389.091 2.621 20 0 GFADRO O=C(N[C@]12CCC[C@H]1[NH2+]CC2)[C@@H]1CCN(c2cc(Cl)ccc2Cl)C1=O ZINC000877393066 662875399 /nfs/dbraw/zinc/87/53/99/662875399.db2.gz OSCWRYXQUNSIKK-PNPHSEOMSA-N 1 0 382.291 2.747 20 0 GFADRO CS(=O)(=O)c1cc(C(=O)N[C@@H]2CCCCC23CC[NH2+]CC3)ccc1Cl ZINC000877406292 662875625 /nfs/dbraw/zinc/87/56/25/662875625.db2.gz TUFILWHXSYARFX-MRXNPFEDSA-N 1 0 384.929 2.786 20 0 GFADRO CN(C(=O)COCC[NH3+])[C@@H](c1ccccc1)c1ccccc1Br ZINC000877454648 662876242 /nfs/dbraw/zinc/87/62/42/662876242.db2.gz BZHIKDFJNJLHAH-SFHVURJKSA-N 1 0 377.282 2.972 20 0 GFADRO COC(=O)c1ccc(C[N@H+](CCO)C2CCSCC2)cc1Br ZINC000877572982 662879170 /nfs/dbraw/zinc/87/91/70/662879170.db2.gz KDMFTYTVGASCDV-UHFFFAOYSA-N 1 0 388.327 2.926 20 0 GFADRO O[C@]1(c2ccccc2)CCC[N@H+](Cc2cnn3cc(Br)cnc23)C1 ZINC000877653259 662880926 /nfs/dbraw/zinc/88/09/26/662880926.db2.gz DYNHTXVLFUMYHQ-GOSISDBHSA-N 1 0 387.281 2.975 20 0 GFADRO NS(=O)(=O)c1cccc(C[NH2+][C@@H]2[C@@H]3Cc4ccc(Br)cc4[C@@H]32)c1 ZINC000877761239 662883007 /nfs/dbraw/zinc/88/30/07/662883007.db2.gz TYEQCXQMBSALNV-IXDOHACOSA-N 1 0 393.306 2.524 20 0 GFADRO O[C@@H](CN1CCC[N@H+](Cc2ccc(F)cc2)CC1)c1cc(Br)no1 ZINC000877915782 662885848 /nfs/dbraw/zinc/88/58/48/662885848.db2.gz LJHSJZLDIMZOQZ-HNNXBMFYSA-N 1 0 398.276 2.818 20 0 GFADRO O[C@H](CN1CCC[N@H+](Cc2ccccc2)CC1)c1cc(Br)no1 ZINC000877925885 662886166 /nfs/dbraw/zinc/88/61/66/662886166.db2.gz FDDGJEFVAAWWNH-OAHLLOKOSA-N 1 0 380.286 2.678 20 0 GFADRO CC[N@@H+](Cc1ccc(C(=O)N(C)C)cc1)C[C@H](O)c1cc(Br)no1 ZINC000878047690 662888909 /nfs/dbraw/zinc/88/89/09/662888909.db2.gz IKYIKWVDVCXXNR-AWEZNQCLSA-N 1 0 396.285 2.694 20 0 GFADRO OCCC[N@H+](C[C@H](O)c1cc(Br)no1)[C@@H]1CCc2ccccc21 ZINC000878170220 662891185 /nfs/dbraw/zinc/89/11/85/662891185.db2.gz XHFZRNROYPFSBP-CABCVRRESA-N 1 0 381.270 2.842 20 0 GFADRO COC(=O)[C@H](C)[C@H]([NH2+]C[C@H](O)c1cc(Br)no1)c1ccccc1 ZINC000878267423 662892737 /nfs/dbraw/zinc/89/27/37/662892737.db2.gz XIJXEWOXNWATOG-GMXABZIVSA-N 1 0 383.242 2.611 20 0 GFADRO OC[C@H](C1CC1)[N@@H+](Cc1ccccc1)C[C@@H](O)c1cc(Br)no1 ZINC000878298081 662893456 /nfs/dbraw/zinc/89/34/56/662893456.db2.gz GCISPGFKQGLZDM-HUUCEWRRSA-N 1 0 381.270 2.744 20 0 GFADRO C[C@@H]([NH2+]C[C@H](O)c1cc(Br)no1)c1cccc(N2CCCC2=O)c1 ZINC000878357117 662894458 /nfs/dbraw/zinc/89/44/58/662894458.db2.gz CCKHOSNXRKVUHX-RISCZKNCSA-N 1 0 394.269 2.948 20 0 GFADRO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CC[N@H+](CCCS(=O)(=O)C(C)(C)C)C1 ZINC000878384408 662895026 /nfs/dbraw/zinc/89/50/26/662895026.db2.gz LLPHRIFLTCNVND-CABCVRRESA-N 1 0 376.563 2.825 20 0 GFADRO COC(=O)c1scc(C)c1NC(=O)[C@H](C)[NH2+][C@H](CCO)c1cccs1 ZINC000878409342 662895639 /nfs/dbraw/zinc/89/56/39/662895639.db2.gz KCBPNARBDGTXGW-NWDGAFQWSA-N 1 0 382.507 2.945 20 0 GFADRO C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[C@H]1CCNC1=O ZINC000878414911 662895784 /nfs/dbraw/zinc/89/57/84/662895784.db2.gz PYYQWURTHCLAOO-CQSZACIVSA-N 1 0 386.323 2.800 20 0 GFADRO OCC1([C@H]([NH2+]C[C@H](O)c2cc(Br)no2)c2ccccc2)CCC1 ZINC000878649651 662901625 /nfs/dbraw/zinc/90/16/25/662901625.db2.gz BMIMYBZFKAFZOD-XJKSGUPXSA-N 1 0 381.270 2.964 20 0 GFADRO OC[C@@H]([NH2+]C[C@@H]1CCC2(CCOCC2)O1)c1ccc(Br)c(F)c1 ZINC000878645435 662901772 /nfs/dbraw/zinc/90/17/72/662901772.db2.gz LETMXMAJOCNBSL-XJKSGUPXSA-N 1 0 388.277 2.939 20 0 GFADRO O[C@@H](C[N@@H+]1CC[C@H](Oc2cncc(Br)c2)C1)c1ccc(F)cn1 ZINC000878876137 662908076 /nfs/dbraw/zinc/90/80/76/662908076.db2.gz SDSZNYRZZSXZJQ-BBRMVZONSA-N 1 0 382.233 2.565 20 0 GFADRO C[N@H+](C[C@H](O)c1cc(Br)no1)CC(C)(C)NC(=O)OC(C)(C)C ZINC000878885328 662908630 /nfs/dbraw/zinc/90/86/30/662908630.db2.gz CMVPQFUUTDQRBX-JTQLQIEISA-N 1 0 392.294 2.706 20 0 GFADRO Cc1cc(Br)ncc1NC(=O)N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000878901388 662909033 /nfs/dbraw/zinc/90/90/33/662909033.db2.gz BEJNNRLXMOFCOZ-AWEZNQCLSA-N 1 0 397.317 2.917 20 0 GFADRO C[C@@H]1CN(C(=O)Nc2cccnc2Br)CCN1c1cc[nH+]cc1 ZINC000878971648 662911812 /nfs/dbraw/zinc/91/18/12/662911812.db2.gz ADMYTRJXBXMXBC-GFCCVEGCSA-N 1 0 376.258 2.982 20 0 GFADRO Cc1nc(NC(=O)N2CCC([NH2+]C3CCOCC3)CC2)ccc1Br ZINC000879203745 662920612 /nfs/dbraw/zinc/92/06/12/662920612.db2.gz JOBLSJQKSOTWSN-UHFFFAOYSA-N 1 0 397.317 2.917 20 0 GFADRO Cc1ccc(NC(=O)N2CCC([NH2+]C3CCOCC3)CC2)nc1Br ZINC000879511528 662928145 /nfs/dbraw/zinc/92/81/45/662928145.db2.gz LRGWIYAIQOTHMH-UHFFFAOYSA-N 1 0 397.317 2.917 20 0 GFADRO Cc1c(Br)nccc1NC(=O)N1CCC([NH2+]C2CCOCC2)CC1 ZINC000879661139 662934667 /nfs/dbraw/zinc/93/46/67/662934667.db2.gz ZNYRGWLFXSHWKK-UHFFFAOYSA-N 1 0 397.317 2.917 20 0 GFADRO CS(=O)(=O)c1cccc(NC(=O)C[NH2+][C@@H]2CC=CC[C@H]2C(F)(F)F)c1 ZINC000879668113 662935593 /nfs/dbraw/zinc/93/55/93/662935593.db2.gz WESSIJBEJSCIHH-ZIAGYGMSSA-N 1 0 376.400 2.515 20 0 GFADRO COCC[N@H+](C[C@H](O)COc1cc(Cl)ccc1Cl)C1CCOCC1 ZINC000879706018 662937389 /nfs/dbraw/zinc/93/73/89/662937389.db2.gz IWJKYKKTHRYKDD-HNNXBMFYSA-N 1 0 378.296 2.861 20 0 GFADRO COCC[N@H+](Cc1cc(Br)ccc1C(=O)OC)C1CCOCC1 ZINC000879710754 662937729 /nfs/dbraw/zinc/93/77/29/662937729.db2.gz JZUHJRKPCDTJAS-UHFFFAOYSA-N 1 0 386.286 2.863 20 0 GFADRO Cn1ncc(Br)c1CC(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000879899702 662941771 /nfs/dbraw/zinc/94/17/71/662941771.db2.gz SQWCTBYMELXROF-CQSZACIVSA-N 1 0 399.720 2.798 20 0 GFADRO Cc1csc([C@H]2CC[N@H+](Cc3ccc(S(=O)(=O)NC4CC4)cc3)C2)n1 ZINC000880011561 662945173 /nfs/dbraw/zinc/94/51/73/662945173.db2.gz LVCOCQDSHMSAKF-HNNXBMFYSA-N 1 0 377.535 2.882 20 0 GFADRO Cn1cc(NC(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)c(Br)n1 ZINC000880037507 662946221 /nfs/dbraw/zinc/94/62/21/662946221.db2.gz HNIMZVKDRPRKSS-ZDUSSCGKSA-N 1 0 384.253 2.746 20 0 GFADRO C[C@@H](CNC(=O)Nc1cn(C)nc1Br)[N@H+](C)Cc1ccccc1 ZINC000880044952 662946980 /nfs/dbraw/zinc/94/69/80/662946980.db2.gz BIQGXAIELSDYRV-LBPRGKRZSA-N 1 0 380.290 2.825 20 0 GFADRO OC[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ncc(-c2ccccc2Br)o1 ZINC000880069752 662950305 /nfs/dbraw/zinc/95/03/05/662950305.db2.gz XKQWPFYFXXDCNZ-UONOGXRCSA-N 1 0 392.297 2.745 20 0 GFADRO Cc1sc(Br)nc1C(=O)N1CCCN(c2cc[nH+]cc2)CC1 ZINC000880383370 662958838 /nfs/dbraw/zinc/95/88/38/662958838.db2.gz DNRVFOQLQXLIBE-UHFFFAOYSA-N 1 0 381.299 2.962 20 0 GFADRO COc1ccc(C(=O)N2CCCN(c3cc[nH+]cc3)CC2)nc1Br ZINC000880381869 662958839 /nfs/dbraw/zinc/95/88/39/662958839.db2.gz GVGQZTFRXZPFTP-UHFFFAOYSA-N 1 0 391.269 2.600 20 0 GFADRO CO[C@@H]1COCC[C@H]1[N@H+](C)CCC(=O)Nc1ccc(Br)cc1F ZINC000880424897 662959606 /nfs/dbraw/zinc/95/96/06/662959606.db2.gz KSIAVULNJOAXAO-HUUCEWRRSA-N 1 0 389.265 2.653 20 0 GFADRO O[C@H](COc1c(Cl)cccc1Cl)C[NH+]1CCC2(CC1)COCCO2 ZINC000880540592 662962059 /nfs/dbraw/zinc/96/20/59/662962059.db2.gz JRKREPPRMIBXQQ-ZDUSSCGKSA-N 1 0 376.280 2.615 20 0 GFADRO O=C(C[NH+]1CCC2(CC1)COCCO2)NCCc1cccc(Cl)c1Cl ZINC000880541971 662962119 /nfs/dbraw/zinc/96/21/19/662962119.db2.gz QAEFVJROLURKGT-UHFFFAOYSA-N 1 0 387.307 2.534 20 0 GFADRO O[C@@H](Cn1cc(CC[NH+]2CCCCC2)nn1)c1cccc(Br)c1 ZINC000881406190 662993047 /nfs/dbraw/zinc/99/30/47/662993047.db2.gz HMLHDPAKAMZPQP-KRWDZBQOSA-N 1 0 379.302 2.803 20 0 GFADRO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N[C@H](C)c1ccncc1Br ZINC000881461944 662995057 /nfs/dbraw/zinc/99/50/57/662995057.db2.gz OAYIZDIEKNOHRQ-MLGOLLRUSA-N 1 0 384.318 2.815 20 0 GFADRO CC(C)c1n[nH]c(C(=O)N2CCC[C@@H]([NH2+]C3CCOCC3)C2)c1Br ZINC000881471172 662995376 /nfs/dbraw/zinc/99/53/76/662995376.db2.gz AUOMXXKDGUJHQK-CYBMUJFWSA-N 1 0 399.333 2.669 20 0 GFADRO O=C(COc1ccccc1Br)N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000881475622 662995382 /nfs/dbraw/zinc/99/53/82/662995382.db2.gz YOZKSTHCYDUGRR-HNNXBMFYSA-N 1 0 397.313 2.588 20 0 GFADRO O=C(c1cccc(Br)c1F)N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000881477184 662995485 /nfs/dbraw/zinc/99/54/85/662995485.db2.gz UVXBIIIGBGPVIZ-ZDUSSCGKSA-N 1 0 385.277 2.961 20 0 GFADRO Cc1c(Br)cncc1C(=O)N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000881476158 662995496 /nfs/dbraw/zinc/99/54/96/662995496.db2.gz AZTHLNIJLKXIHY-AWEZNQCLSA-N 1 0 382.302 2.526 20 0 GFADRO Brc1nnc2ccc(NC[C@H](c3ccco3)[NH+]3CCCC3)nn12 ZINC000881754032 663001786 /nfs/dbraw/zinc/00/17/86/663001786.db2.gz FPJLSACMFICJGR-LLVKDONJSA-N 1 0 377.246 2.729 20 0 GFADRO CC(C)C[C@H](CNc1cnn(CC(F)(F)F)c(=O)c1Br)[NH+](C)C ZINC000881787215 663003149 /nfs/dbraw/zinc/00/31/49/663003149.db2.gz BETNBEAKNHTVKY-SNVBAGLBSA-N 1 0 399.255 2.956 20 0 GFADRO CN(C[C@@H]1CCC[N@H+](C)C1)S(=O)(=O)c1cnc(Cl)cc1C(F)(F)F ZINC000881900852 663008897 /nfs/dbraw/zinc/00/88/97/663008897.db2.gz DGZDIVVHIYZLHQ-SNVBAGLBSA-N 1 0 385.839 2.716 20 0 GFADRO CC(C)C[N@@H+]1CCC[C@@H](CNS(=O)(=O)N=[S@@](C)(=O)C2CCCCC2)C1 ZINC000882006470 663013337 /nfs/dbraw/zinc/01/33/37/663013337.db2.gz ZOAZKUNLDXNHCS-FYSMJZIKSA-N 1 0 393.619 2.619 20 0 GFADRO CON([C@H](C)c1cccc(C(F)(F)F)c1)S(=O)(=O)CCn1ccnc1 ZINC000882420867 663027217 /nfs/dbraw/zinc/02/72/17/663027217.db2.gz OGXVEJJMSLFSHL-GFCCVEGCSA-N 1 0 377.388 2.856 20 0 GFADRO CC[N@@H+]1CC[C@H]1CNC(=O)CCc1nc(-c2cc(Br)cs2)no1 ZINC000882485767 663028822 /nfs/dbraw/zinc/02/88/22/663028822.db2.gz VPPFLYVORPDVMT-NSHDSACASA-N 1 0 399.314 2.704 20 0 GFADRO CC1([NH+]2CCC2)CCN(C(=O)[C@@H]2Cc3cc(Br)ccc3O2)CC1 ZINC000882510024 663029592 /nfs/dbraw/zinc/02/95/92/663029592.db2.gz ZZNMIPWAGRZHKN-INIZCTEOSA-N 1 0 379.298 2.839 20 0 GFADRO O=C(NCc1ccccc1Br)N1CCC([NH2+]C2CCOCC2)CC1 ZINC000883232091 663051703 /nfs/dbraw/zinc/05/17/03/663051703.db2.gz ASKBURUWXUKBOB-UHFFFAOYSA-N 1 0 396.329 2.892 20 0 GFADRO CC(C)(C)OC(=O)Nc1ncc(C[NH2+]CC[C@H]2CCCS2(=O)=O)s1 ZINC000883297296 663052643 /nfs/dbraw/zinc/05/26/43/663052643.db2.gz LPRLFAALNNUPGF-GFCCVEGCSA-N 1 0 375.516 2.547 20 0 GFADRO O=C1NCCn2c(C[NH2+][C@@H]3CCC[C@@H]3c3ccc(Cl)c(Cl)c3)nnc21 ZINC000883303736 663053111 /nfs/dbraw/zinc/05/31/11/663053111.db2.gz FPNLFUKUUFGNQJ-BXUZGUMPSA-N 1 0 380.279 2.754 20 0 GFADRO CS(=O)(=O)[C@H]1C[C@H]([NH2+]Cc2c[nH]nc2-c2ccc(Br)s2)C1 ZINC000883380666 663054493 /nfs/dbraw/zinc/05/44/93/663054493.db2.gz WIZYEHITSGMOMX-MGCOHNPYSA-N 1 0 390.328 2.566 20 0 GFADRO Cc1cc(Br)c(Cl)cc1S(=O)(=O)N1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000883466604 663055504 /nfs/dbraw/zinc/05/55/04/663055504.db2.gz RBWIMRRBHRDYDG-CABZTGNLSA-N 1 0 381.723 2.769 20 0 GFADRO Cn1c(Cl)cnc1-c1csc(NC(=O)N2CC[NH2+]CCC23CCC3)n1 ZINC000883575787 663057347 /nfs/dbraw/zinc/05/73/47/663057347.db2.gz QCNCWKJSGNFREW-UHFFFAOYSA-N 1 0 380.905 2.947 20 0 GFADRO CSc1ccc(NC(=O)C(=O)N2CCc3sc(C[NH3+])nc3C2)cc1Cl ZINC000883622801 663058236 /nfs/dbraw/zinc/05/82/36/663058236.db2.gz AMBAQCJDHOBDDO-UHFFFAOYSA-N 1 0 396.925 2.501 20 0 GFADRO CCC1([NH3+])CCN(C(=O)C(=O)Nc2c(C)cc(C)cc2Br)CC1 ZINC000883627760 663058362 /nfs/dbraw/zinc/05/83/62/663058362.db2.gz NZCJCSAIEYSULY-UHFFFAOYSA-N 1 0 382.302 2.734 20 0 GFADRO C[C@]1(CCNC(=O)N2CCC([NH2+]C3CCOCC3)CC2)CC1(Cl)Cl ZINC000883729552 663059802 /nfs/dbraw/zinc/05/98/02/663059802.db2.gz VGNJCUBVQDXVDJ-INIZCTEOSA-N 1 0 378.344 2.903 20 0 GFADRO Cc1ccc(F)c(Br)c1C(=O)Nc1ccc(N2CC[NH2+]CC2)cn1 ZINC000884021905 663063992 /nfs/dbraw/zinc/06/39/92/663063992.db2.gz PUTFISVKLODVDV-UHFFFAOYSA-N 1 0 393.260 2.954 20 0 GFADRO [NH3+][C@@H](C(=O)NC[C@H]1OCCc2ccccc21)c1ccc(Br)cc1 ZINC000884138127 663065836 /nfs/dbraw/zinc/06/58/36/663065836.db2.gz FQIYGMBHCKJQRL-IAGOWNOFSA-N 1 0 375.266 2.879 20 0 GFADRO [NH3+][C@H](C(=O)Nc1cc(C2CCOCC2)[nH]n1)c1ccc(Br)cc1 ZINC000884156819 663066112 /nfs/dbraw/zinc/06/61/12/663066112.db2.gz MMTGTSYCIVAWSE-HNNXBMFYSA-N 1 0 379.258 2.705 20 0 GFADRO CCN1CCc2nc(NC(=O)[C@H]([NH3+])c3ccc(Br)cc3)sc2C1 ZINC000884176472 663066578 /nfs/dbraw/zinc/06/65/78/663066578.db2.gz GPQWRAHEIGMCLH-CQSZACIVSA-N 1 0 395.326 2.922 20 0 GFADRO CC1(C)C[NH2+]C[C@@H]1C(=O)NC[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000884197877 663066917 /nfs/dbraw/zinc/06/69/17/663066917.db2.gz HKSAPQLJHYSYAS-CZUORRHYSA-N 1 0 380.330 2.637 20 0 GFADRO O=C(NCc1cscc1Cl)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000884261921 663067713 /nfs/dbraw/zinc/06/77/13/663067713.db2.gz WSBGSNPHVXUPLT-INIZCTEOSA-N 1 0 379.913 2.968 20 0 GFADRO CC1(NC(=O)c2cc(Br)nn2-c2ncccc2Cl)CC[NH2+]CC1 ZINC000884269971 663067765 /nfs/dbraw/zinc/06/77/65/663067765.db2.gz CZSKDWXYKYASDW-UHFFFAOYSA-N 1 0 398.692 2.555 20 0 GFADRO [NH3+][C@H]1CCC[C@H](NC(=O)c2cc(Br)nn2-c2ncccc2Cl)C1 ZINC000884267662 663067768 /nfs/dbraw/zinc/06/77/68/663067768.db2.gz KJHDNTFNSZXOPB-UWVGGRQHSA-N 1 0 398.692 2.683 20 0 GFADRO C[C@H]1C[C@H](NC(=O)c2cc(Br)nn2-c2ncccc2Cl)CC[NH2+]1 ZINC000884273100 663067947 /nfs/dbraw/zinc/06/79/47/663067947.db2.gz JLCZLLCEXOCSMC-VHSXEESVSA-N 1 0 398.692 2.554 20 0 GFADRO [NH3+][C@H](C(=O)N1CC[C@H](OCc2ccccn2)C1)c1ccc(Br)cc1 ZINC000884328740 663069078 /nfs/dbraw/zinc/06/90/78/663069078.db2.gz WMMBMBLDCDBDLA-IRXDYDNUSA-N 1 0 390.281 2.662 20 0 GFADRO CC1(C)[C@H](NC(=O)c2cc(Br)nn2-c2ncccc2Cl)C[C@@H]1[NH3+] ZINC000884366186 663069606 /nfs/dbraw/zinc/06/96/06/663069606.db2.gz VLNBWIDCWNBQBP-WDEREUQCSA-N 1 0 398.692 2.539 20 0 GFADRO COC(=O)c1cnc([C@@H]2CCN(C(=O)c3sccc3C[NH+](C)C)C2)s1 ZINC000884765248 663075095 /nfs/dbraw/zinc/07/50/95/663075095.db2.gz CPEVWGCVWRAZTH-GFCCVEGCSA-N 1 0 379.507 2.683 20 0 GFADRO O=S(=O)(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1cc2ccc(Cl)nc2cc1F ZINC000884952478 663079418 /nfs/dbraw/zinc/07/94/18/663079418.db2.gz OBVRWHYWCIRNBV-OLZOCXBDSA-N 1 0 383.876 2.932 20 0 GFADRO Cc1cc(Br)ccc1CS(=O)(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000884962278 663079950 /nfs/dbraw/zinc/07/99/50/663079950.db2.gz VAUMGMGQPKOYOY-HZPDHXFCSA-N 1 0 387.343 2.804 20 0 GFADRO O=C(NC[C@H]1CC[N@@H+]1C1CCOCC1)c1cc2c(cccc2Br)[nH]1 ZINC000885866595 663099569 /nfs/dbraw/zinc/09/95/69/663099569.db2.gz ZOJGXSIIZMRUSH-CYBMUJFWSA-N 1 0 392.297 2.914 20 0 GFADRO O=C(Cc1ccc(F)cc1Br)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000885878986 663100130 /nfs/dbraw/zinc/10/01/30/663100130.db2.gz CEILRABPTBKPSJ-OAHLLOKOSA-N 1 0 385.277 2.500 20 0 GFADRO OC[C@H](C[C@H]1CCCO1)[NH2+]Cc1nc(-c2cccc(Br)c2)c[nH]1 ZINC000886229048 663105315 /nfs/dbraw/zinc/10/53/15/663105315.db2.gz KGQKWHDRXBEHAH-LSDHHAIUSA-N 1 0 380.286 2.859 20 0 GFADRO OC[C@@H](C[C@@H]1CCCO1)[NH2+]Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000886228626 663105358 /nfs/dbraw/zinc/10/53/58/663105358.db2.gz CDGJLRSUAQLNLS-WBVHZDCISA-N 1 0 380.286 2.654 20 0 GFADRO O[C@H](C[NH2+]Cc1ncc(I)s1)Cc1ccc(F)cc1 ZINC000886239394 663105559 /nfs/dbraw/zinc/10/55/59/663105559.db2.gz VZGFYQOYSFJXMO-NSHDSACASA-N 1 0 392.237 2.580 20 0 GFADRO COc1ccc(C[NH2+]C[C@@H](O)Cc2ccc(F)cc2)c(Br)c1O ZINC000886238603 663105658 /nfs/dbraw/zinc/10/56/58/663105658.db2.gz DFELNKXKGILDNR-AWEZNQCLSA-N 1 0 384.245 2.996 20 0 GFADRO C[C@@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH2+][C@@H]1C[C@@H](O)[C@@H](O)C1 ZINC000886247032 663105928 /nfs/dbraw/zinc/10/59/28/663105928.db2.gz FFWFRHRXQAHBET-UVJIQFMESA-N 1 0 380.794 2.550 20 0 GFADRO C[C@@](O)(C[N@@H+]1CC[C@@]2(C)[C@@H](C1)C2(Br)Br)C(F)F ZINC000886274126 663106641 /nfs/dbraw/zinc/10/66/41/663106641.db2.gz MTRDYPZWKUOGBQ-FKTZTGRPSA-N 1 0 377.067 2.830 20 0 GFADRO COC(=O)[C@H]1CC[C@H]([NH2+]Cc2ccc(S(C)(=O)=O)c(C(F)(F)F)c2)C1 ZINC000886601277 663114547 /nfs/dbraw/zinc/11/45/47/663114547.db2.gz OEKZUUFZUBNWPZ-RYUDHWBXSA-N 1 0 379.400 2.540 20 0 GFADRO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@H](CO)C[C@@H]1CCCO1 ZINC000886668234 663115447 /nfs/dbraw/zinc/11/54/47/663115447.db2.gz PDHWERAHINQHCU-KCXAZCMYSA-N 1 0 385.302 2.686 20 0 GFADRO OCCOCC1(O)CC[NH+](CCSc2cc(Cl)ccc2Cl)CC1 ZINC000886738856 663116566 /nfs/dbraw/zinc/11/65/66/663116566.db2.gz HLOAVKTXIJLVJI-UHFFFAOYSA-N 1 0 380.337 2.921 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)NC2(c3ncc(Br)cn3)CCC2)C1 ZINC000886840566 663122054 /nfs/dbraw/zinc/12/20/54/663122054.db2.gz ICYKYHBOMUTBNQ-INIZCTEOSA-N 1 0 399.308 2.947 20 0 GFADRO COC[C@H]([NH2+][C@@H]1CCc2cc(Br)ccc2NC1=O)[C@H]1CCCOC1 ZINC000886916707 663124951 /nfs/dbraw/zinc/12/49/51/663124951.db2.gz YUVBTGPFEPBWEO-XKQJLSEDSA-N 1 0 397.313 2.734 20 0 GFADRO COc1cc(NC(=O)NC[C@@H]2C[NH2+]CCC2(F)F)ccc1Br ZINC000886935283 663125297 /nfs/dbraw/zinc/12/52/97/663125297.db2.gz FIFASLULXCPQNO-VIFPVBQESA-N 1 0 378.217 2.824 20 0 GFADRO O=C(NC[C@@H]1C[NH2+]CCC1(F)F)Nc1cnc(Cl)c(Br)c1 ZINC000886941707 663125444 /nfs/dbraw/zinc/12/54/44/663125444.db2.gz JMHNPYPCFVOCPR-ZETCQYMHSA-N 1 0 383.624 2.864 20 0 GFADRO CC(C)[C@H]([NH3+])CNC(=O)C(=O)Nc1cc(Br)c2ccccc2c1 ZINC000886982540 663127088 /nfs/dbraw/zinc/12/70/88/663127088.db2.gz SHADUJIGNRSDNJ-OAHLLOKOSA-N 1 0 378.270 2.640 20 0 GFADRO O=C(NC[C@H]1C[NH2+]CCC1(F)F)C(=O)Nc1cc(C(F)F)ccc1Cl ZINC000887034056 663129575 /nfs/dbraw/zinc/12/95/75/663129575.db2.gz GQEMMBHIUVRPHO-SECBINFHSA-N 1 0 381.757 2.577 20 0 GFADRO CCCc1csc(NC(=O)C(=O)N(CC[NH3+])Cc2cccc(Cl)c2)n1 ZINC000887031550 663129582 /nfs/dbraw/zinc/12/95/82/663129582.db2.gz XTKILTCBTYOUPL-UHFFFAOYSA-N 1 0 380.901 2.675 20 0 GFADRO [NH3+]CCN(Cc1cccc(Cl)c1)C(=O)C(=O)Nc1scnc1C1CC1 ZINC000887031432 663129622 /nfs/dbraw/zinc/12/96/22/663129622.db2.gz GQBNAGYIJIXNHA-UHFFFAOYSA-N 1 0 378.885 2.600 20 0 GFADRO O=C(c1nc(C2CC2)ncc1Br)N1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000887406097 663144635 /nfs/dbraw/zinc/14/46/35/663144635.db2.gz ZRLYIPPIXQRGBZ-QGZVFWFLSA-N 1 0 379.302 2.722 20 0 GFADRO Cc1sc(Cc2ncc(Cl)n2C)nc1-c1cn(CCCCC[NH3+])nn1 ZINC000887427939 663146164 /nfs/dbraw/zinc/14/61/64/663146164.db2.gz IUYRFYJIUFYBDF-UHFFFAOYSA-N 1 0 379.921 2.817 20 0 GFADRO Brc1cncc(-c2nc(-c3cn([C@@H]4CC[NH2+]C4)nn3)cs2)c1 ZINC000887532901 663151221 /nfs/dbraw/zinc/15/12/21/663151221.db2.gz YIKRKVGJOJQHTN-LLVKDONJSA-N 1 0 377.271 2.761 20 0 GFADRO Cc1sc(-c2cncc(Br)c2)nc1-c1cn(CCC[NH3+])nn1 ZINC000887533702 663151310 /nfs/dbraw/zinc/15/13/10/663151310.db2.gz FQGZRUNBRJSZDL-UHFFFAOYSA-N 1 0 379.287 2.883 20 0 GFADRO O=C(NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)N[C@@H](CCO)C(F)(F)F ZINC000888010431 663174961 /nfs/dbraw/zinc/17/49/61/663174961.db2.gz ADTISILNFGQITR-JSGCOSHPSA-N 1 0 379.448 2.573 20 0 GFADRO Cc1cc(C(=O)N2CCN(C)CC[N@@H+](C)CC2)cc(Cl)c1Br ZINC000888983802 663228311 /nfs/dbraw/zinc/22/83/11/663228311.db2.gz QENQUQHYIYENEW-UHFFFAOYSA-N 1 0 388.737 2.730 20 0 GFADRO CSc1cc(C(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)ccc1Br ZINC000889744388 663262336 /nfs/dbraw/zinc/26/23/36/663262336.db2.gz MIAZTABDYMHCLK-CABCVRRESA-N 1 0 399.354 2.842 20 0 GFADRO CSc1cc(Br)ccc1C(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000889748463 663262828 /nfs/dbraw/zinc/26/28/28/663262828.db2.gz FVZALGWTFDEPKU-GJZGRUSLSA-N 1 0 399.354 2.842 20 0 GFADRO O=C([C@@H]1C[C@H]1c1cccc(Br)c1)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000889749191 663262839 /nfs/dbraw/zinc/26/28/39/663262839.db2.gz FZMLRGDMFQTFES-BSDSXHPESA-N 1 0 393.325 2.610 20 0 GFADRO O=C(c1ccc(Br)c(Cl)c1)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000889760529 663264617 /nfs/dbraw/zinc/26/46/17/663264617.db2.gz AKHZLIOARHHWAV-HUUCEWRRSA-N 1 0 387.705 2.774 20 0 GFADRO O=C(c1[nH]c2ccccc2c1Br)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000889773736 663265533 /nfs/dbraw/zinc/26/55/33/663265533.db2.gz CQDBVGYXOZVNSW-LSDHHAIUSA-N 1 0 392.297 2.602 20 0 GFADRO O=C(c1cc2ccc(Br)cc2[nH]1)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000889775327 663265938 /nfs/dbraw/zinc/26/59/38/663265938.db2.gz MBQWLRGFEDQMCQ-DLBZAZTESA-N 1 0 392.297 2.602 20 0 GFADRO C[C@H](Oc1cccc(Cl)c1Cl)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000889775368 663265961 /nfs/dbraw/zinc/26/59/61/663265961.db2.gz MKWFMXQZVPSSQC-CFVMTHIKSA-N 1 0 387.307 2.818 20 0 GFADRO C[N@@H+]1CC[C@]2(CCN(C(=O)COCCc3ccc(Br)cc3)C2)C1 ZINC000891144091 663326654 /nfs/dbraw/zinc/32/66/54/663326654.db2.gz BOUFDSFJYRIOJS-SFHVURJKSA-N 1 0 381.314 2.562 20 0 GFADRO COc1cc(CNC(=O)N[C@@]23CCC[C@H]2[NH2+]CC3)cc(Br)c1OC ZINC000891465650 663340487 /nfs/dbraw/zinc/34/04/87/663340487.db2.gz PKQZMXFLIAVNOA-RHSMWYFYSA-N 1 0 398.301 2.550 20 0 GFADRO C[NH+](C)C1(CNC(=O)NCc2ncc(Br)cn2)CCCCCC1 ZINC000891589396 663344849 /nfs/dbraw/zinc/34/48/49/663344849.db2.gz OSOAQEDJHJFNEE-UHFFFAOYSA-N 1 0 384.322 2.693 20 0 GFADRO COCCC1(NC(=O)N[C@H](C)Cc2ccccc2Br)CC[NH2+]CC1 ZINC000891676229 663346918 /nfs/dbraw/zinc/34/69/18/663346918.db2.gz JLHQYGKBQZSMKO-CQSZACIVSA-N 1 0 398.345 2.838 20 0 GFADRO CO[C@H](c1ccccc1Cl)[C@@H](C)NC(=O)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000891812904 663351563 /nfs/dbraw/zinc/35/15/63/663351563.db2.gz GQARCUBYHOFXHB-XUJVJEKNSA-N 1 0 375.847 2.960 20 0 GFADRO Cc1cc(CNC(=O)N2CCC[C@@H]3[NH2+]CC[C@H]32)ccc1I ZINC000891874438 663353870 /nfs/dbraw/zinc/35/38/70/663353870.db2.gz KKWTYFGOAFGXHC-LSDHHAIUSA-N 1 0 399.276 2.636 20 0 GFADRO CCC1([NH3+])CCN(C(=O)N[C@@H]2COc3cc(F)c(Br)cc32)CC1 ZINC000891888338 663354466 /nfs/dbraw/zinc/35/44/66/663354466.db2.gz SDSXSRGYCGJCKV-CYBMUJFWSA-N 1 0 386.265 2.935 20 0 GFADRO COC[C@@H](CNC(=O)NC[C@H]1C[NH2+]CCC1(F)F)c1ccc(Cl)cc1 ZINC000891935370 663355830 /nfs/dbraw/zinc/35/58/30/663355830.db2.gz GVLGZEAOFWBGGW-ZIAGYGMSSA-N 1 0 375.847 2.614 20 0 GFADRO CCC1([NH+]2CCC2)CCN(C(=O)C(=O)Nc2ccc(Br)cc2)CC1 ZINC000891962925 663356516 /nfs/dbraw/zinc/35/65/16/663356516.db2.gz SZBFKWAXMPSKGQ-UHFFFAOYSA-N 1 0 394.313 2.865 20 0 GFADRO C[C@H](CCCC[NH3+])NC(=O)NCc1ccn(-c2ccc(Br)cc2)n1 ZINC000892135579 663362957 /nfs/dbraw/zinc/36/29/57/663362957.db2.gz RPJVDDISSWBWRD-CYBMUJFWSA-N 1 0 394.317 2.952 20 0 GFADRO C[N@H+](CC(C)(C)S(C)(=O)=O)C[C@@]1(C)CCCN(C(=O)OC(C)(C)C)C1 ZINC000892146939 663363296 /nfs/dbraw/zinc/36/32/96/663363296.db2.gz PYRKBAHIKZVJCE-GOSISDBHSA-N 1 0 376.563 2.779 20 0 GFADRO O=C(N[C@H]1[C@@H]2Cc3cc(Br)ccc3[C@@H]21)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000892191719 663365486 /nfs/dbraw/zinc/36/54/86/663365486.db2.gz QIWQNAOMNIKWPD-INSZXIJUSA-N 1 0 390.325 2.775 20 0 GFADRO O=C(NCCC1CC[NH2+]CC1)N[C@H]1[C@@H]2Cc3cc(Br)ccc3[C@@H]21 ZINC000892232461 663366483 /nfs/dbraw/zinc/36/64/83/663366483.db2.gz MONBFBIAFKDBFJ-IKGGRYGDSA-N 1 0 378.314 2.776 20 0 GFADRO C[C@@H]1CCC[C@@](CNC(=O)NCc2ncc(Br)cn2)([NH+](C)C)C1 ZINC000892238023 663366655 /nfs/dbraw/zinc/36/66/55/663366655.db2.gz VNGIEESPZQYABZ-MLGOLLRUSA-N 1 0 384.322 2.549 20 0 GFADRO C[C@H]1CCC[C@@](CNC(=O)NCc2ncc(Br)cn2)([NH+](C)C)C1 ZINC000892238021 663366835 /nfs/dbraw/zinc/36/68/35/663366835.db2.gz VNGIEESPZQYABZ-BLLLJJGKSA-N 1 0 384.322 2.549 20 0 GFADRO CC[C@@H]1CN(C(=O)N[C@@H]2[C@@H]3Cc4c(cccc4Br)[C@@H]32)CC[C@@H]1[NH3+] ZINC000892322922 663369403 /nfs/dbraw/zinc/36/94/03/663369403.db2.gz QSWSGTRHPJJEOZ-PLISQPBWSA-N 1 0 378.314 2.856 20 0 GFADRO O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)N[C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21 ZINC000892324053 663369502 /nfs/dbraw/zinc/36/95/02/663369502.db2.gz ZRVRCBZUKWUVRN-VTERKQRTSA-N 1 0 390.325 2.917 20 0 GFADRO [NH3+][C@@H](CCNC(=O)N1CCSC[C@@H]1c1nccs1)Cc1ccccc1 ZINC000892406454 663372320 /nfs/dbraw/zinc/37/23/20/663372320.db2.gz ZNOVJIAPBQEPGF-JKSUJKDBSA-N 1 0 376.551 2.903 20 0 GFADRO [NH3+][C@H](CCNC(=O)NCc1ncc(Br)s1)Cc1ccccc1 ZINC000892415064 663372796 /nfs/dbraw/zinc/37/27/96/663372796.db2.gz YYHNOFXFUYKUPR-GFCCVEGCSA-N 1 0 383.315 2.665 20 0 GFADRO Oc1cc(Br)cnc1C[NH2+]Cc1ccccc1CN1CCOCC1 ZINC000892453271 663374211 /nfs/dbraw/zinc/37/42/11/663374211.db2.gz TXGAUIXVCPKXLH-UHFFFAOYSA-N 1 0 392.297 2.672 20 0 GFADRO COc1ccc(Br)cc1CNC(=O)N1CCC12CC[NH+](C)CC2 ZINC000892505636 663376042 /nfs/dbraw/zinc/37/60/42/663376042.db2.gz FAVXTWSFOVUXJF-UHFFFAOYSA-N 1 0 382.302 2.837 20 0 GFADRO O[C@H](C[NH2+][C@@H]1CCC2(C[C@H]1F)OCCO2)COc1cccc(Cl)c1Cl ZINC000892680407 663380832 /nfs/dbraw/zinc/38/08/32/663380832.db2.gz YKFUZKJNJGSGKU-MRVWCRGKSA-N 1 0 394.270 2.956 20 0 GFADRO COCC[NH2+]C1CCN(C(=O)NCc2ccc(C)c(Br)c2)CC1 ZINC000892696124 663382149 /nfs/dbraw/zinc/38/21/49/663382149.db2.gz WPBIEIRPYLJTJV-UHFFFAOYSA-N 1 0 384.318 2.668 20 0 GFADRO C[C@]1(NC(=O)[C@H]2[C@@H]3c4cc(Br)ccc4C[C@H]23)C[NH+]2CCC1CC2 ZINC000892761200 663383819 /nfs/dbraw/zinc/38/38/19/663383819.db2.gz XZARHHRQLNXLKX-FAJBIJEISA-N 1 0 375.310 2.935 20 0 GFADRO CN(Cc1ccc(Br)cc1)C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000892786734 663384850 /nfs/dbraw/zinc/38/48/50/663384850.db2.gz WCZPBHUCFHXBRS-MRXNPFEDSA-N 1 0 396.329 2.749 20 0 GFADRO C[C@]1(Br)C[C@H]1C[NH2+]C[C@@H](O)c1cc(Cl)c2c(c1)OCCO2 ZINC000892991644 663392193 /nfs/dbraw/zinc/39/21/93/663392193.db2.gz JRUQTZQKXSZNER-NVBFEUDRSA-N 1 0 376.678 2.908 20 0 GFADRO C[C@H](Cc1ccc(F)c(Br)c1)[NH2+][C@H](C)[C@H]1CCS(=O)(=O)C1 ZINC000893166473 663399730 /nfs/dbraw/zinc/39/97/30/663399730.db2.gz BGHMHJXJWICNCU-WZRBSPASSA-N 1 0 378.307 2.932 20 0 GFADRO CC[C@@H](CS(=O)(=O)c1ccccc1)[NH2+]Cc1ncc(Br)cc1O ZINC000893181636 663400245 /nfs/dbraw/zinc/40/02/45/663400245.db2.gz FMFFTPZYCMXKHO-ZDUSSCGKSA-N 1 0 399.310 2.892 20 0 GFADRO CO[C@H](c1ccc(Br)cc1)[C@H](C)[NH2+][C@@H](C)[C@H]1CCS(=O)(=O)C1 ZINC000893297471 663405890 /nfs/dbraw/zinc/40/58/90/663405890.db2.gz MOWZEUDSCLDDNQ-DUPGQFARSA-N 1 0 390.343 2.938 20 0 GFADRO C[C@H](CCc1ccc(O)cc1)[NH2+]Cc1cn(C)nc1I ZINC000894237670 663450111 /nfs/dbraw/zinc/45/01/11/663450111.db2.gz HISDYZGKLBHITI-LLVKDONJSA-N 1 0 385.249 2.841 20 0 GFADRO OCC[C@H](C[NH2+]Cc1sc(N2CCOCC2)nc1Cl)c1ccccc1 ZINC000894288894 663452654 /nfs/dbraw/zinc/45/26/54/663452654.db2.gz FNBHWCMTGAUTLM-OAHLLOKOSA-N 1 0 381.929 2.889 20 0 GFADRO C[C@H](O)C[C@H](C[NH2+]Cc1cn(C)nc1I)c1ccccc1 ZINC000894340622 663455688 /nfs/dbraw/zinc/45/56/88/663455688.db2.gz RBXPYOZININUNU-GXTWGEPZSA-N 1 0 399.276 2.669 20 0 GFADRO Cc1cccc(C[N@@H+]2CCC[C@H]2C[C@@]2(C)NC(=O)NC2=O)c1Br ZINC000894417523 663460318 /nfs/dbraw/zinc/46/03/18/663460318.db2.gz PEXWTXRLBNXPEP-SUMWQHHRSA-N 1 0 380.286 2.710 20 0 GFADRO Cc1nc(CN2CCC(C[NH+]3CCN(C)CC3)CC2)sc1Br ZINC000894458751 663462992 /nfs/dbraw/zinc/46/29/92/663462992.db2.gz ZEVNPXXNCRHHOH-UHFFFAOYSA-N 1 0 387.391 2.673 20 0 GFADRO C[C@H](CNC(=O)OC(C)(C)C)[NH2+]Cc1sc(N2CCOCC2)nc1Cl ZINC000894478158 663464129 /nfs/dbraw/zinc/46/41/29/663464129.db2.gz SWPRLOWQTXDSCD-LLVKDONJSA-N 1 0 390.937 2.636 20 0 GFADRO O=S(=O)(CCC[NH2+][C@H]1CCC2(C[C@@H]1F)OCCO2)c1ccc(Cl)cc1 ZINC000894651220 663474629 /nfs/dbraw/zinc/47/46/29/663474629.db2.gz PGDWZNSNANVIIC-HOTGVXAUSA-N 1 0 391.892 2.727 20 0 GFADRO Cc1ccc([C@H](O)[C@@H](C)[NH2+]Cc2cn(C)nc2I)cc1 ZINC000894747292 663479135 /nfs/dbraw/zinc/47/91/35/663479135.db2.gz GGEULIYWALGLCI-BXUZGUMPSA-N 1 0 385.249 2.545 20 0 GFADRO C[C@]1(C[C@@H]2CCC[N@@H+]2Cc2cc3ccnc(Cl)c3s2)NC(=O)NC1=O ZINC000894748723 663479235 /nfs/dbraw/zinc/47/92/35/663479235.db2.gz QQFMBHKTHSYSIJ-APPDUMDISA-N 1 0 378.885 2.902 20 0 GFADRO C[C@@H](NC(=O)NCc1ncc(Br)cn1)[C@H](c1ccccc1)[NH+](C)C ZINC000894749660 663479428 /nfs/dbraw/zinc/47/94/28/663479428.db2.gz BFDAXRHJPYNTAG-MLGOLLRUSA-N 1 0 392.301 2.730 20 0 GFADRO C[C@H](CCCCNC(=O)OC(C)(C)C)[NH2+]Cc1nc(Br)nn1C ZINC000894832815 663484118 /nfs/dbraw/zinc/48/41/18/663484118.db2.gz WZIXHCBZGBDYOP-LLVKDONJSA-N 1 0 390.326 2.751 20 0 GFADRO CC(C)[C@H]1C[C@H](C[NH2+]Cc2cn(C)nc2I)CCO1 ZINC000894898739 663487360 /nfs/dbraw/zinc/48/73/60/663487360.db2.gz JSSCIXWBESINDJ-DGCLKSJQSA-N 1 0 377.270 2.566 20 0 GFADRO Cc1[nH+]c2cc(NCc3cncc(Br)c3)ccc2n1C(CO)CO ZINC000894920879 663488507 /nfs/dbraw/zinc/48/85/07/663488507.db2.gz FARBGFFHSNDSGX-UHFFFAOYSA-N 1 0 391.269 2.640 20 0 GFADRO CC(=O)Nc1cc(Br)ccc1C[NH2+][C@@H]1CCN(CC(F)F)C1 ZINC000894966362 663492481 /nfs/dbraw/zinc/49/24/81/663492481.db2.gz MDKJHKZDMBVBAM-CYBMUJFWSA-N 1 0 376.245 2.837 20 0 GFADRO C[NH+](C)Cc1ccc(NC(=O)C[C@H]2C=CS(=O)(=O)C2)cc1C(F)(F)F ZINC000894980463 663492971 /nfs/dbraw/zinc/49/29/71/663492971.db2.gz PYEQQRULBMXOTA-LLVKDONJSA-N 1 0 376.400 2.654 20 0 GFADRO COCC(C)(C)[NH+]1CCN(Cc2ccc(Br)cc2NC(C)=O)CC1 ZINC000895009482 663495101 /nfs/dbraw/zinc/49/51/01/663495101.db2.gz AIMXNENNLFABIV-UHFFFAOYSA-N 1 0 398.345 2.950 20 0 GFADRO Cc1[nH+]ccc(N2CCC[C@@H](C(=O)N[C@@H]3CCC[C@H](O)C3)C2)c1Br ZINC000895065428 663497565 /nfs/dbraw/zinc/49/75/65/663497565.db2.gz JPOPKXCDTHOSQL-KFWWJZLASA-N 1 0 396.329 2.789 20 0 GFADRO COC(=O)c1ccc(C[NH2+]CC[S@@](=O)CC(F)(F)F)c(C(F)(F)F)c1 ZINC000895231340 663504105 /nfs/dbraw/zinc/50/41/05/663504105.db2.gz RJRUSLOWQGLPLE-RUZDIDTESA-N 1 0 391.333 2.893 20 0 GFADRO COC(=O)[C@@H]1OCC[C@@H]1[NH2+]Cc1cc(Br)c(Br)s1 ZINC000895250693 663505282 /nfs/dbraw/zinc/50/52/82/663505282.db2.gz NVELUZSCOWWUOV-DTWKUNHWSA-N 1 0 399.104 2.693 20 0 GFADRO C[C@]1(Br)C[C@@H]1C[NH+]1CCC(c2nccc(N3CCOCC3)n2)CC1 ZINC000895491923 663516993 /nfs/dbraw/zinc/51/69/93/663516993.db2.gz OJEUGFWQFLIOKL-QAPCUYQASA-N 1 0 395.345 2.666 20 0 GFADRO C[C@@]1(Br)C[C@H]1C[NH+]1CCC(c2nccc(N3CCOCC3)n2)CC1 ZINC000895491922 663517039 /nfs/dbraw/zinc/51/70/39/663517039.db2.gz OJEUGFWQFLIOKL-MAUKXSAKSA-N 1 0 395.345 2.666 20 0 GFADRO CC(C)(C)OC(=O)N(CCO)C1CC[NH+](C[C@H]2C[C@@]2(C)Br)CC1 ZINC000895744463 663526236 /nfs/dbraw/zinc/52/62/36/663526236.db2.gz QWKBJFZGBKFUIB-CXAGYDPISA-N 1 0 391.350 2.854 20 0 GFADRO CC(=O)Nc1cc(Br)ccc1C[NH+]1CCC(CCO)(CCO)CC1 ZINC000895753660 663526264 /nfs/dbraw/zinc/52/62/64/663526264.db2.gz KPOXQZBQUOLCRU-UHFFFAOYSA-N 1 0 399.329 2.755 20 0 GFADRO O=C1NCC2(CCOCC2)[C@H]1[NH2+]Cc1cnc(-c2ccc(Cl)cc2)s1 ZINC000895768945 663527017 /nfs/dbraw/zinc/52/70/17/663527017.db2.gz LOJSUNVPRNPAMY-HNNXBMFYSA-N 1 0 377.897 2.848 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)c1nn2c(c1Br)CCC2)c1ccc(F)cc1 ZINC000895797784 663527862 /nfs/dbraw/zinc/52/78/62/663527862.db2.gz QJMWPKWQWBZWHH-AWEZNQCLSA-N 1 0 395.276 2.764 20 0 GFADRO COC[C@H]([NH2+][C@H](C)[C@H]1CCS(=O)(=O)C1)c1cccc(Br)c1 ZINC000895852477 663530356 /nfs/dbraw/zinc/53/03/56/663530356.db2.gz FYZITZZOWDLRFY-ZLDLUXBVSA-N 1 0 376.316 2.549 20 0 GFADRO COC[C@@H]([NH2+]Cc1ccc(C(=O)OC)c(Br)c1)[C@H]1CCCOC1 ZINC000895858491 663530559 /nfs/dbraw/zinc/53/05/59/663530559.db2.gz JPJBJVJJHBCKAB-XJKSGUPXSA-N 1 0 386.286 2.767 20 0 GFADRO Cc1ncc(I)c(N[C@@H](CC[NH+](C)C)c2cccnc2)n1 ZINC000895888837 663532330 /nfs/dbraw/zinc/53/23/30/663532330.db2.gz IPMQGVJRGKQXFL-AWEZNQCLSA-N 1 0 397.264 2.890 20 0 GFADRO Cc1ncc(I)c(N[C@H](CC[NH+](C)C)c2cccnc2)n1 ZINC000895888838 663532337 /nfs/dbraw/zinc/53/23/37/663532337.db2.gz IPMQGVJRGKQXFL-CQSZACIVSA-N 1 0 397.264 2.890 20 0 GFADRO CC(C)(C)NS(=O)(=O)C1(C[NH2+]Cc2cnc(CC(F)(F)F)s2)CC1 ZINC000896007858 663537016 /nfs/dbraw/zinc/53/70/16/663537016.db2.gz XOWWJTSAQXKIBZ-UHFFFAOYSA-N 1 0 385.477 2.588 20 0 GFADRO CCOC(=O)[C@@H]1CC[C@H]([NH2+]Cc2nc(CSC)n[nH]2)C[C@@H]1C(F)(F)F ZINC000896053065 663539050 /nfs/dbraw/zinc/53/90/50/663539050.db2.gz AJUCUUCHBYUCGC-AXFHLTTASA-N 1 0 380.436 2.668 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC000896075718 663539926 /nfs/dbraw/zinc/53/99/26/663539926.db2.gz NBIFNFHVOILQGC-SFHVURJKSA-N 1 0 394.313 2.688 20 0 GFADRO CCOC(=O)c1ncc(Br)c(NC2CCC(C)([NH+]3CCC3)CC2)n1 ZINC000896256592 663547280 /nfs/dbraw/zinc/54/72/80/663547280.db2.gz VXNDHJIFZLMUAP-UHFFFAOYSA-N 1 0 397.317 2.657 20 0 GFADRO Cn1cc(C[NH2+]C[C@@]23C[C@@H]2CN(C(=O)OC(C)(C)C)C3)c(Br)n1 ZINC000896282980 663549168 /nfs/dbraw/zinc/54/91/68/663549168.db2.gz XCAAPIJTUSJQOQ-MLGOLLRUSA-N 1 0 385.306 2.529 20 0 GFADRO Brc1cc(C[N@@H+]2CC[C@@H](C3OCCO3)C2)cc2c1OCCCO2 ZINC000896384509 663554654 /nfs/dbraw/zinc/55/46/54/663554654.db2.gz MBLDRMRFYMFJAW-CYBMUJFWSA-N 1 0 384.270 2.805 20 0 GFADRO CC[C@H](C(=O)N[C@H](C)[C@H]1C[N@H+](C)CCN1C)c1ccc(Br)cc1 ZINC000896529521 663560970 /nfs/dbraw/zinc/56/09/70/663560970.db2.gz BUOSMLIWMXUTHF-XOKHGSTOSA-N 1 0 382.346 2.693 20 0 GFADRO C[C@@H](NC(=O)c1ccc(Br)c(Cl)c1F)[C@@H]1C[N@H+](C)CCN1C ZINC000896545558 663562788 /nfs/dbraw/zinc/56/27/88/663562788.db2.gz QWESDJJJQYMAJA-SKDRFNHKSA-N 1 0 392.700 2.606 20 0 GFADRO C[C@@H](NC(=O)Cc1csc(-c2ccc(Cl)s2)n1)[C@@H]1C[N@H+](C)CCN1C ZINC000896565998 663564004 /nfs/dbraw/zinc/56/40/04/663564004.db2.gz AWADBELKQLRPPV-YPMHNXCESA-N 1 0 398.985 2.818 20 0 GFADRO Cc1[nH+]cc2n1C[C@@H](c1nc([C@@H](C)n3cc(Br)cn3)no1)CC2 ZINC000896700292 663572457 /nfs/dbraw/zinc/57/24/57/663572457.db2.gz FAILZSWITYNSFL-KOLCDFICSA-N 1 0 377.246 2.873 20 0 GFADRO C[NH+]1CCC(OCC(=O)Nc2cc(-c3ccc(Br)o3)no2)CC1 ZINC000896841399 663579179 /nfs/dbraw/zinc/57/91/79/663579179.db2.gz YKGYREAZEGGXGN-UHFFFAOYSA-N 1 0 384.230 2.746 20 0 GFADRO COc1cc(C[NH2+]CC2(n3cc(Br)cn3)CC2)cc(OC)c1O ZINC000896912542 663581852 /nfs/dbraw/zinc/58/18/52/663581852.db2.gz YYTQRHSFEQJXQB-UHFFFAOYSA-N 1 0 382.258 2.647 20 0 GFADRO CN1CCN(c2ccnc(-c3ccc(Br)cc3)n2)CC[N@H+](C)CC1 ZINC000897094649 663591529 /nfs/dbraw/zinc/59/15/29/663591529.db2.gz VZALKLYCATVXCN-UHFFFAOYSA-N 1 0 390.329 2.590 20 0 GFADRO C[NH+]1CCC2(CCN2c2ncnc3ccc(I)cc32)CC1 ZINC000897133571 663593045 /nfs/dbraw/zinc/59/30/45/663593045.db2.gz MPMZNQSMNMLCLZ-UHFFFAOYSA-N 1 0 394.260 2.909 20 0 GFADRO CS[C@@H]1CN(C(=O)c2csc(N3CCCCC3)n2)C[C@@H]1[NH+]1CCCC1 ZINC000897376835 663603476 /nfs/dbraw/zinc/60/34/76/663603476.db2.gz GVOZHTLWMMZIRR-JKSUJKDBSA-N 1 0 380.583 2.785 20 0 GFADRO CC[C@](O)(CCC(F)(F)F)C[NH2+]Cc1ccc(S(N)(=O)=O)c(Cl)c1 ZINC000897520053 663608391 /nfs/dbraw/zinc/60/83/91/663608391.db2.gz ZIIFRZSGSZXDPE-ZDUSSCGKSA-N 1 0 388.839 2.561 20 0 GFADRO CCO[P@](C)(=O)CC[C@H](C)[NH2+]C[C@]1(O)CCN(C(=O)OC(C)(C)C)C1 ZINC000897695684 663616208 /nfs/dbraw/zinc/61/62/08/663616208.db2.gz OUJSWZRIQYSQEQ-AXUAAXHCSA-N 1 0 378.450 2.671 20 0 GFADRO CCOC(=O)C1([C@H](C)[NH2+]Cc2cc(O)ccc2Br)CCOCC1 ZINC000897745552 663618209 /nfs/dbraw/zinc/61/82/09/663618209.db2.gz KALORPUWEPIKDJ-LBPRGKRZSA-N 1 0 386.286 2.993 20 0 GFADRO C[C@@H](NC(=O)C1C[NH+](C2CCOCC2)C1)c1ccc(Br)cc1F ZINC000897752274 663618485 /nfs/dbraw/zinc/61/84/85/663618485.db2.gz WYDZCMRIWIAUTI-LLVKDONJSA-N 1 0 385.277 2.876 20 0 GFADRO CC(C)(C)OC(=O)Nc1ccsc1C[NH2+]CCS(=O)(=O)N1CCCC1 ZINC000897828350 663621839 /nfs/dbraw/zinc/62/18/39/663621839.db2.gz VLZQAHDYPOXMQE-UHFFFAOYSA-N 1 0 389.543 2.610 20 0 GFADRO Cn1nc(Br)cc1C[NH2+][C@@H]1C[C@@H]2CC[C@H]1N2C(=O)OC(C)(C)C ZINC000898073835 663632365 /nfs/dbraw/zinc/63/23/65/663632365.db2.gz GDDVYBMQGULFIZ-CYZMBNFOSA-N 1 0 385.306 2.813 20 0 GFADRO O=c1cc(N2CC[C@H]([NH2+]Cc3ccc(Br)c(Cl)c3)C2)nc[nH]1 ZINC000898153354 663636242 /nfs/dbraw/zinc/63/62/42/663636242.db2.gz VVDUDDZDSRBHDC-NSHDSACASA-N 1 0 383.677 2.967 20 0 GFADRO Brc1ccc(-c2n[nH]cc2C[NH2+]Cc2cnc3n2CCOC3)s1 ZINC000898267106 663641469 /nfs/dbraw/zinc/64/14/69/663641469.db2.gz YXPQTLORFHLCRT-UHFFFAOYSA-N 1 0 394.298 2.917 20 0 GFADRO CCO[P@@](C)(=O)CC[C@H](C)[NH2+]Cc1cccc(N(C)S(C)(=O)=O)c1 ZINC000898282605 663641851 /nfs/dbraw/zinc/64/18/51/663641851.db2.gz HWABEOMBURQDRS-LFVRLGFBSA-N 1 0 376.459 2.895 20 0 GFADRO O=c1[nH]ncc(N2CC[C@H]([NH2+]Cc3cnc4ccc(Cl)cn34)C2)c1Cl ZINC000898364615 663644645 /nfs/dbraw/zinc/64/46/45/663644645.db2.gz NENOWKGGQWKRJR-NSHDSACASA-N 1 0 379.251 2.505 20 0 GFADRO C[NH+](C)CCN(Cc1cccs1)C(=O)NCc1ncc(Br)cn1 ZINC000898391588 663647014 /nfs/dbraw/zinc/64/70/14/663647014.db2.gz CHHLCAKRIJHPFV-UHFFFAOYSA-N 1 0 398.330 2.574 20 0 GFADRO CC[NH+]1CCN(c2ccc(C(=O)Nc3c[nH]nc3Br)cc2)CC1 ZINC000898473417 663651485 /nfs/dbraw/zinc/65/14/85/663651485.db2.gz FYCBLNRVHBRLIE-UHFFFAOYSA-N 1 0 378.274 2.566 20 0 GFADRO O=C(Cc1ccc(F)c(Br)c1)NC1CC[NH+](C2CCOCC2)CC1 ZINC000898630182 663658325 /nfs/dbraw/zinc/65/83/25/663658325.db2.gz FWKWBHQMDYHVRY-UHFFFAOYSA-N 1 0 399.304 2.890 20 0 GFADRO CCOC(=O)N1CCC(C)(C[NH2+][C@H]2CCc3ncc(Br)n3C2)CC1 ZINC000898721527 663660503 /nfs/dbraw/zinc/66/05/03/663660503.db2.gz SWFPQOLIDRWBRH-ZDUSSCGKSA-N 1 0 399.333 2.809 20 0 GFADRO CC(C)(C)CC(=O)N1CCC([NH2+][C@H]2CCc3ncc(Br)n3C2)CC1 ZINC000898723570 663661070 /nfs/dbraw/zinc/66/10/70/663661070.db2.gz GLTMNPZODNCCDJ-AWEZNQCLSA-N 1 0 397.361 2.977 20 0 GFADRO CC(C)(CNC(=O)c1cc(Br)c2c(c1)OCCO2)n1ccnc1 ZINC000898902505 663668966 /nfs/dbraw/zinc/66/89/66/663668966.db2.gz PHZCDXVTPCBIKV-UHFFFAOYSA-N 1 0 380.242 2.582 20 0 GFADRO C[NH2+][C@@H](C)Cc1noc(-c2cnn(Cc3ccccc3)c2Br)n1 ZINC000900008361 663706381 /nfs/dbraw/zinc/70/63/81/663706381.db2.gz GCUUNCGGYGCIPS-NSHDSACASA-N 1 0 376.258 2.894 20 0 GFADRO C[C@H]1CCC[N@H+](CCCCNC(=O)c2cc3ncc(Br)cn3n2)C1 ZINC000900216659 663710130 /nfs/dbraw/zinc/71/01/30/663710130.db2.gz XSMJDDPWUKPXQF-ZDUSSCGKSA-N 1 0 394.317 2.734 20 0 GFADRO C[N@@H+]1CCC[C@@](O)(CC(=O)Nc2nnc(SCc3ccccc3)s2)C1 ZINC000900266609 663711160 /nfs/dbraw/zinc/71/11/60/663711160.db2.gz XAVRPBMGYWHSGY-QGZVFWFLSA-N 1 0 378.523 2.616 20 0 GFADRO CC(C)[NH+]1CCN(CCCC(=O)Nc2ncc(Br)s2)CC1 ZINC000900304983 663712105 /nfs/dbraw/zinc/71/21/05/663712105.db2.gz IJNVGXLFUVPITP-UHFFFAOYSA-N 1 0 375.336 2.650 20 0 GFADRO C[NH+](C)CCn1nccc1C(=O)Nc1nnc(-c2ccccc2Cl)s1 ZINC000900344685 663712877 /nfs/dbraw/zinc/71/28/77/663712877.db2.gz LATBCVNWWCJQOU-UHFFFAOYSA-N 1 0 376.873 2.869 20 0 GFADRO O=C([C@H]1CC[C@@H]2CCCC[N@H+]12)N1CCC(n2cc(Br)cn2)CC1 ZINC000900645543 663718707 /nfs/dbraw/zinc/71/87/07/663718707.db2.gz SFRYAAPXBBMWEB-GOEBONIOSA-N 1 0 381.318 2.826 20 0 GFADRO C[C@@H](NC(=O)c1ccnn1CC[NH+](C)C)[C@@H](O)c1c(Cl)cccc1Cl ZINC000901136342 663730841 /nfs/dbraw/zinc/73/08/41/663730841.db2.gz CRCFCYKKVLZHSH-BDJLRTHQSA-N 1 0 385.295 2.603 20 0 GFADRO O=C(CSc1nc(CO)cs1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000901688376 663742124 /nfs/dbraw/zinc/74/21/24/663742124.db2.gz IRRXAPJMICVCBK-UHFFFAOYSA-N 1 0 395.575 2.915 20 0 GFADRO C[C@H]([NH2+][C@H]1CCc2ncc(Br)n2C1)C(=O)Nc1ccc(F)c(F)c1 ZINC000901727691 663743696 /nfs/dbraw/zinc/74/36/96/663743696.db2.gz HZFROBIZEJXDNV-ONGXEEELSA-N 1 0 399.239 2.855 20 0 GFADRO C[C@@H]([NH2+][C@@H]1CCc2ncc(Br)n2C1)C(=O)N1CCc2ccccc21 ZINC000901730866 663744154 /nfs/dbraw/zinc/74/41/54/663744154.db2.gz YEVCLWQBHMJDIZ-TZMCWYRMSA-N 1 0 389.297 2.528 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCN(CCN2CCOCC2)C1)c1ccc(C(F)(F)F)s1 ZINC000902806339 663767783 /nfs/dbraw/zinc/76/77/83/663767783.db2.gz KGELSEZVPTXYRR-UONOGXRCSA-N 1 0 377.476 2.824 20 0 GFADRO C[C@H]([NH2+]Cc1c(I)cnn1C)[C@H]1COc2ccccc2C1 ZINC000903080548 663772606 /nfs/dbraw/zinc/77/26/06/663772606.db2.gz PORKJOMIRZBKJR-WCQYABFASA-N 1 0 397.260 2.754 20 0 GFADRO COc1cc([C@H](C)[NH2+]C[C@H]2CC[C@H](C(F)(F)F)O2)ccc1S(C)(=O)=O ZINC000903180633 663777143 /nfs/dbraw/zinc/77/71/43/663777143.db2.gz GOKLDQHAGYQMAZ-JVLSTEMRSA-N 1 0 381.416 2.859 20 0 GFADRO C[C@H]([NH2+]C[C@H]1CCCC[C@H]1NS(C)(=O)=O)c1ccc(Br)nc1 ZINC000903232498 663779931 /nfs/dbraw/zinc/77/99/31/663779931.db2.gz AKCXFHGNDWUDRB-IACUBPJLSA-N 1 0 390.347 2.603 20 0 GFADRO CC[C@](O)(CCC(F)(F)F)C[NH2+][C@H](C)c1cccc(S(=O)(=O)NC)c1 ZINC000903256772 663780661 /nfs/dbraw/zinc/78/06/61/663780661.db2.gz QBFKKLDOPKSXLH-DOMZBBRYSA-N 1 0 382.448 2.729 20 0 GFADRO CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+][C@@H]2CCCN3CCSC[C@H]23)cc1 ZINC000903271746 663780900 /nfs/dbraw/zinc/78/09/00/663780900.db2.gz NFTPKVKWERWPNL-BMGDILEWSA-N 1 0 383.583 2.679 20 0 GFADRO CO[C@@]1(C[NH2+][C@@H](C)c2cc(S(N)(=O)=O)c(Cl)cc2Cl)CCSC1 ZINC000903314398 663781320 /nfs/dbraw/zinc/78/13/20/663781320.db2.gz NBXPORQPTCSVOJ-LKFCYVNXSA-N 1 0 399.365 2.814 20 0 GFADRO COc1ccc2c(c1)[C@@H]([NH2+][C@@H]1Cc3cc(Br)cnc3NC1=O)CC2 ZINC000903326902 663782075 /nfs/dbraw/zinc/78/20/75/663782075.db2.gz VTLVITPCNFDYQZ-JKSUJKDBSA-N 1 0 388.265 2.993 20 0 GFADRO CO[C@]1(C[NH2+][C@@H](C)[C@@H](C)Oc2ccc(Cl)cc2Cl)CCS(=O)(=O)C1 ZINC000903366598 663782976 /nfs/dbraw/zinc/78/29/76/663782976.db2.gz DNLVIMRCFYJROM-OZVIIMIRSA-N 1 0 396.336 2.943 20 0 GFADRO OC1(C[NH2+][C@@H]2CCc3cc(Br)ccc3C2)CCC2(CC1)OCCO2 ZINC000903374076 663783351 /nfs/dbraw/zinc/78/33/51/663783351.db2.gz GVRJSGVUEAIZKG-QGZVFWFLSA-N 1 0 396.325 2.944 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCOC12CCOCC2)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000903386330 663783614 /nfs/dbraw/zinc/78/36/14/663783614.db2.gz AWZYIETYTJXUFX-SWLSCSKDSA-N 1 0 375.437 2.672 20 0 GFADRO O=c1cc(N2CC[C@H]([NH2+][C@H]3CCc4cc(Br)ccc43)C2)nc[nH]1 ZINC000903395006 663783725 /nfs/dbraw/zinc/78/37/25/663783725.db2.gz GKJIRKFLEMRXIU-ZFWWWQNUSA-N 1 0 375.270 2.801 20 0 GFADRO O=c1cc(N2CC[C@@H]([NH2+][C@@H]3CCc4ccc(Br)cc43)C2)nc[nH]1 ZINC000903400164 663783854 /nfs/dbraw/zinc/78/38/54/663783854.db2.gz RYCQRJJIVWPDCS-UKRRQHHQSA-N 1 0 375.270 2.801 20 0 GFADRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2cnc(Br)s2)[C@H](C)C1 ZINC000903441721 663784887 /nfs/dbraw/zinc/78/48/87/663784887.db2.gz DRIMGUCTWNXVSW-VXGBXAGGSA-N 1 0 390.347 2.772 20 0 GFADRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2cnc(Br)s2)[C@@H](C)C1 ZINC000903441719 663784889 /nfs/dbraw/zinc/78/48/89/663784889.db2.gz DRIMGUCTWNXVSW-NWDGAFQWSA-N 1 0 390.347 2.772 20 0 GFADRO O=S(=O)(Cc1cccc(F)c1Br)NCCC[C@H]1CCC[NH2+]1 ZINC000903522867 663787102 /nfs/dbraw/zinc/78/71/02/663787102.db2.gz WRBKTADQYIYWHN-GFCCVEGCSA-N 1 0 379.295 2.540 20 0 GFADRO [NH3+]CC1([C@H]2CCCCN2S(=O)(=O)c2c[nH]c3ncc(Cl)cc23)CCC1 ZINC000903546055 663788269 /nfs/dbraw/zinc/78/82/69/663788269.db2.gz HMSAHYLEBQVEIJ-OAHLLOKOSA-N 1 0 382.917 2.889 20 0 GFADRO C[C@@H]1CN(S(=O)(=O)c2cc(Br)ccc2Cl)C[C@H]1CC[NH3+] ZINC000903552581 663788483 /nfs/dbraw/zinc/78/84/83/663788483.db2.gz ICYVMBSGPPUSHR-NXEZZACHSA-N 1 0 381.723 2.708 20 0 GFADRO O=S(=O)(N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)c1ccc(Br)cc1C(F)(F)F ZINC000903564743 663788872 /nfs/dbraw/zinc/78/88/72/663788872.db2.gz IIDSWRMCSQCJND-DVVUODLYSA-N 1 0 399.232 2.639 20 0 GFADRO [NH3+][C@@H](Cc1ccccc1)[C@@H](O)CN1CCC[C@@H]1c1cncc(Br)c1 ZINC000903566357 663788909 /nfs/dbraw/zinc/78/89/09/663788909.db2.gz QUROJYLUXATWSJ-OTWHNJEPSA-N 1 0 390.325 2.912 20 0 GFADRO [NH3+][C@@H]1CN(S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)C[C@H]1C(F)(F)F ZINC000903570288 663789079 /nfs/dbraw/zinc/78/90/79/663789079.db2.gz YRFUSFBEMWPVIV-VXNVDRBHSA-N 1 0 396.740 2.869 20 0 GFADRO O=S(=O)(N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1sccc1Cl ZINC000903573697 663789498 /nfs/dbraw/zinc/78/94/98/663789498.db2.gz LDZCHEHZZKBEJH-CZUORRHYSA-N 1 0 384.910 2.936 20 0 GFADRO [NH3+]C[C@@H]1Cc2cc(F)ccc2N(S(=O)(=O)c2c(Cl)ccnc2Cl)C1 ZINC000903588300 663790668 /nfs/dbraw/zinc/79/06/68/663790668.db2.gz IHVMJDFHPAUPRT-VIFPVBQESA-N 1 0 390.267 2.854 20 0 GFADRO [NH3+]C[C@@]12CC[C@H]1CCN2S(=O)(=O)c1c(Cl)cccc1Br ZINC000903587719 663790685 /nfs/dbraw/zinc/79/06/85/663790685.db2.gz AMGAYFQPEMIPMD-ZANVPECISA-N 1 0 379.707 2.604 20 0 GFADRO O=S(=O)(c1ccc(Cl)c(Br)c1)N1CCC[C@]12CC[NH2+]C2 ZINC000903592400 663791023 /nfs/dbraw/zinc/79/10/23/663791023.db2.gz DGMUVKXHPHDPGF-CYBMUJFWSA-N 1 0 379.707 2.619 20 0 GFADRO Fc1ccc([C@@H]2CN(C[C@H]3C[C@]4(CC[NH2+]C4)CO3)CCO2)cc1Br ZINC000903757391 663805856 /nfs/dbraw/zinc/80/58/56/663805856.db2.gz ZIACBDNHWPALPS-JLSDUUJJSA-N 1 0 399.304 2.730 20 0 GFADRO Brc1cccc2c1CN(C[C@H]1CC3(CO1)CC[NH2+]CC3)CCO2 ZINC000903768664 663806302 /nfs/dbraw/zinc/80/63/02/663806302.db2.gz ORMYWJUMZYPHLV-CQSZACIVSA-N 1 0 381.314 2.802 20 0 GFADRO CCN(Cc1cnnn1[C@@H]1CCC[NH2+]C1)Cc1cccc(Br)c1 ZINC000903884221 663810027 /nfs/dbraw/zinc/81/00/27/663810027.db2.gz VBCQKIBUIXCCOP-MRXNPFEDSA-N 1 0 378.318 2.987 20 0 GFADRO Cc1c(C[C@@H](C[NH3+])CN(C)Cc2cc(Br)ccc2F)cnn1C ZINC000903904776 663810702 /nfs/dbraw/zinc/81/07/02/663810702.db2.gz ZZSQOPGKTNPWLV-ZDUSSCGKSA-N 1 0 383.309 2.880 20 0 GFADRO Cc1ccc2c(c1Br)CN(Cc1cnnn1[C@@H]1CCC[NH2+]C1)C2 ZINC000903932974 663812577 /nfs/dbraw/zinc/81/25/77/663812577.db2.gz ITBRDGWWVMYPEL-CQSZACIVSA-N 1 0 376.302 2.789 20 0 GFADRO COc1ccc(CN2CC[C@H](C(F)(F)F)[C@@H]([NH3+])C2)c(Br)c1O ZINC000903983613 663815237 /nfs/dbraw/zinc/81/52/37/663815237.db2.gz KLQVAYJUCPEXDP-UWVGGRQHSA-N 1 0 383.208 2.875 20 0 GFADRO O=C1O[C@@H](c2nc(CC3CC[NH2+]CC3)no2)Cc2ccc(Br)cc21 ZINC000904073405 663822528 /nfs/dbraw/zinc/82/25/28/663822528.db2.gz OABHAPJZZBSVJO-CQSZACIVSA-N 1 0 392.253 2.828 20 0 GFADRO O=C1O[C@H](c2nc(CC3CC[NH2+]CC3)no2)Cc2ccc(Br)cc21 ZINC000904073404 663822550 /nfs/dbraw/zinc/82/25/50/663822550.db2.gz OABHAPJZZBSVJO-AWEZNQCLSA-N 1 0 392.253 2.828 20 0 GFADRO O=C(Nc1cc2c(cc1Br)OCCO2)NC1(C2CC[NH2+]CC2)CC1 ZINC000904278475 663829947 /nfs/dbraw/zinc/82/99/47/663829947.db2.gz IYQRPVLMORUBAC-UHFFFAOYSA-N 1 0 396.285 2.874 20 0 GFADRO COC[C@@H]1C[NH2+]CCN1C(=O)Nc1cc(Cl)cc(Br)c1OC ZINC000904333522 663830682 /nfs/dbraw/zinc/83/06/82/663830682.db2.gz BFISTSQAKWOCGO-JTQLQIEISA-N 1 0 392.681 2.563 20 0 GFADRO Cn1cc(Br)cc(NC(=O)N2CCCC[C@@H]2C2(C[NH3+])CCC2)c1=O ZINC000904367946 663831839 /nfs/dbraw/zinc/83/18/39/663831839.db2.gz KZFVQGZNXOPMER-CQSZACIVSA-N 1 0 397.317 2.663 20 0 GFADRO COCC[C@H]1C[NH2+]CCN1C(=O)Nc1ccc(Cl)cc1Br ZINC000904378703 663832062 /nfs/dbraw/zinc/83/20/62/663832062.db2.gz JDPKQYOEFXKVIO-NSHDSACASA-N 1 0 376.682 2.945 20 0 GFADRO CS(=O)(=O)c1ccc(NC(=O)NC[C@H]2CCCCC[NH2+]2)cc1C(F)F ZINC000904405821 663832812 /nfs/dbraw/zinc/83/28/12/663832812.db2.gz QAAQSXNHCVUQME-GFCCVEGCSA-N 1 0 375.441 2.681 20 0 GFADRO COc1cc(Br)cc(NC(=O)N2CC[NH2+]CCC23CCOCC3)c1 ZINC000904396523 663832832 /nfs/dbraw/zinc/83/28/32/663832832.db2.gz JRKLBMFKAZUQKI-UHFFFAOYSA-N 1 0 398.301 2.834 20 0 GFADRO O=C(Nc1ccnn1Cc1ccc(Br)cc1)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000904427282 663833712 /nfs/dbraw/zinc/83/37/12/663833712.db2.gz VGEQVYHHKAAHBX-RRFJBIMHSA-N 1 0 390.285 2.708 20 0 GFADRO COCC[C@H]1C[NH2+]CCN1C(=O)Nc1cc(F)cc(F)c1Br ZINC000904429879 663833947 /nfs/dbraw/zinc/83/39/47/663833947.db2.gz ATDGLCGWCJBCEQ-JTQLQIEISA-N 1 0 378.217 2.570 20 0 GFADRO COCC[C@H]1C[NH2+]CCN1C(=O)Nc1cccc(Cl)c1OCC(F)F ZINC000904485787 663836002 /nfs/dbraw/zinc/83/60/02/663836002.db2.gz VGMXYOWMRRHDRV-NSHDSACASA-N 1 0 377.819 2.826 20 0 GFADRO [NH3+]C[C@H]1C[C@H](NC(=O)Nc2ccc(I)c(Cl)c2)C1 ZINC000904536597 663837005 /nfs/dbraw/zinc/83/70/05/663837005.db2.gz CQOUFXFMTWJNMS-XWEPSHTISA-N 1 0 379.629 2.803 20 0 GFADRO COCCOc1ccc(NC(=O)NC[C@@H]2CC[C@H]([NH3+])C2)cc1Br ZINC000904548533 663837492 /nfs/dbraw/zinc/83/74/92/663837492.db2.gz MLFPRYHEPLHHES-NEPJUHHUSA-N 1 0 386.290 2.723 20 0 GFADRO COCCOc1ccc(NC(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)cc1Br ZINC000904550433 663837679 /nfs/dbraw/zinc/83/76/79/663837679.db2.gz FKXPCMYKOYMRPX-SMDDNHRTSA-N 1 0 386.290 2.594 20 0 GFADRO COCCOc1ccc(NC(=O)NCC2CC[NH2+]CC2)cc1Br ZINC000904551471 663837976 /nfs/dbraw/zinc/83/79/76/663837976.db2.gz LXDUISWGOWUMNL-UHFFFAOYSA-N 1 0 386.290 2.595 20 0 GFADRO Cc1nc2cc(Br)cc(NC(=O)COC3CC[NH+](C)CC3)c2o1 ZINC000904633534 663839054 /nfs/dbraw/zinc/83/90/54/663839054.db2.gz JVCPFMNUTPNGSV-UHFFFAOYSA-N 1 0 382.258 2.948 20 0 GFADRO O=S(=O)(Cc1noc([C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)n1)c1cc(Cl)ccc1Cl ZINC000904651580 663839217 /nfs/dbraw/zinc/83/92/17/663839217.db2.gz GKJGTWCKUDWMBR-HOSYDEDBSA-N 1 0 388.276 2.958 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CC[NH2+]C[C@@H](O)CCC1(O)CCC1 ZINC000905081360 663851816 /nfs/dbraw/zinc/85/18/16/663851816.db2.gz PHGUJFAINZIXCP-HNNXBMFYSA-N 1 0 399.329 2.732 20 0 GFADRO Cc1ccc(C[C@H](C)[NH2+]C[C@@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)s1 ZINC000905139829 663854859 /nfs/dbraw/zinc/85/48/59/663854859.db2.gz YGCPMCKRZJMJBM-XJKSGUPXSA-N 1 0 388.599 2.579 20 0 GFADRO CC1(C)C[NH2+][C@@H]1C1CCN(S(=O)(=O)c2cnc(Cl)c(Cl)c2)CC1 ZINC000905358802 663867341 /nfs/dbraw/zinc/86/73/41/663867341.db2.gz KGPJCOBXYCOYHP-CYBMUJFWSA-N 1 0 378.325 2.787 20 0 GFADRO O[C@H](C[NH2+]Cc1cc(C(F)(F)F)ccc1Br)Cn1cccn1 ZINC000905464463 663872556 /nfs/dbraw/zinc/87/25/56/663872556.db2.gz GXUOWXHXTYZZRM-GFCCVEGCSA-N 1 0 378.192 2.815 20 0 GFADRO O[C@H](C[NH2+]Cc1cc(C2CC2)no1)COc1cc(F)cc(Br)c1 ZINC000905464343 663872561 /nfs/dbraw/zinc/87/25/61/663872561.db2.gz GNZBLZOXEPOPFT-CYBMUJFWSA-N 1 0 385.233 2.983 20 0 GFADRO CS(=O)(=O)C1CCC(C[NH2+]C[C@@H](O)c2ccc(Br)cc2)CC1 ZINC000905508177 663874694 /nfs/dbraw/zinc/87/46/94/663874694.db2.gz GYTFHEOAAIBZFJ-VDSRIPIWSA-N 1 0 390.343 2.676 20 0 GFADRO O=C(CC[NH2+]C[C@@H]1CCN1C1CCOCC1)Nc1cccc(Br)c1 ZINC000905619107 663881737 /nfs/dbraw/zinc/88/17/37/663881737.db2.gz KLBMQDFYZMRBMX-KRWDZBQOSA-N 1 0 396.329 2.621 20 0 GFADRO Cc1c(I)ccc(NC(=S)NCC[NH+](C)C)c1C ZINC000905662525 663884598 /nfs/dbraw/zinc/88/45/98/663884598.db2.gz XCKQKQKATKDIOH-UHFFFAOYSA-N 1 0 377.295 2.756 20 0 GFADRO Cn1cc([C@]2(C[NH2+]C[C@@H](O)c3ccccc3Br)CCCO2)cn1 ZINC000905688633 663886329 /nfs/dbraw/zinc/88/63/29/663886329.db2.gz XMVMVWLRUVTZAJ-IAGOWNOFSA-N 1 0 380.286 2.512 20 0 GFADRO Cc1ccc(C[NH+](C)C)cc1NS(=O)(=O)N=[S@@](C)(=O)c1ccccc1 ZINC000906066180 663919419 /nfs/dbraw/zinc/91/94/19/663919419.db2.gz YUZMHBJEFCRBRG-DEOSSOPVSA-N 1 0 381.523 2.870 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1cc(Br)cn(C2CC2)c1=O ZINC000906171650 663930386 /nfs/dbraw/zinc/93/03/86/663930386.db2.gz CGYUTKRMFDMBPE-GFCCVEGCSA-N 1 0 382.302 2.550 20 0 GFADRO COc1cc(C)c(Br)cc1NC(=O)C1(n2cccn2)CC[NH2+]CC1 ZINC000906218403 663932425 /nfs/dbraw/zinc/93/24/25/663932425.db2.gz KAHARPFQVRJPFB-UHFFFAOYSA-N 1 0 393.285 2.680 20 0 GFADRO CO[C@@H](C(=O)Nc1ccn(CC[NH+](C)C)n1)c1ccc(Br)s1 ZINC000906463308 663950348 /nfs/dbraw/zinc/95/03/48/663950348.db2.gz FOFZDBOLUYMNCS-CYBMUJFWSA-N 1 0 387.303 2.595 20 0 GFADRO COC(=O)c1nc(C(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)cs1 ZINC000906463359 663950358 /nfs/dbraw/zinc/95/03/58/663950358.db2.gz VPHIKTBVHHHBKW-GFCCVEGCSA-N 1 0 379.507 2.633 20 0 GFADRO CO[C@H](C(=O)Nc1cnn(CC[NH+](C)C)c1)c1ccc(Br)s1 ZINC000906483448 663951904 /nfs/dbraw/zinc/95/19/04/663951904.db2.gz JAPLEWUZNUZLSO-ZDUSSCGKSA-N 1 0 387.303 2.595 20 0 GFADRO Cc1c(C(=O)N2CCC[C@H]([NH+](C)C)C2)nnn1-c1ccccc1Br ZINC000906528222 663955956 /nfs/dbraw/zinc/95/59/56/663955956.db2.gz BGLQRRLLSAWPLC-ZDUSSCGKSA-N 1 0 392.301 2.504 20 0 GFADRO CC(C)([NH3+])c1ccc(NC(=O)C(=O)NCc2ccsc2Br)cc1 ZINC000906669097 663964062 /nfs/dbraw/zinc/96/40/62/663964062.db2.gz GSRNREMDAVOAEC-UHFFFAOYSA-N 1 0 396.310 2.959 20 0 GFADRO O=S(=O)(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1c[nH]c2cc(Br)ccc21 ZINC000906846927 663976205 /nfs/dbraw/zinc/97/62/05/663976205.db2.gz VTYMTMBTKNIOSD-QWHCGFSZSA-N 1 0 398.326 2.836 20 0 GFADRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2cnnn2-c2cc(Cl)ccc2Cl)C1 ZINC000906848400 663976568 /nfs/dbraw/zinc/97/65/68/663976568.db2.gz XUMHXTGWFDXFKO-GFCCVEGCSA-N 1 0 382.295 2.988 20 0 GFADRO C[NH+](C)CCN(Cc1ccco1)C(=O)c1cccn2ncc(Br)c12 ZINC000906959525 663986595 /nfs/dbraw/zinc/98/65/95/663986595.db2.gz DIRBIPOVELDNSH-UHFFFAOYSA-N 1 0 391.269 2.894 20 0 GFADRO C[C@H]1C[C@@H](NS(=O)(=O)c2c[nH]c3cc(Br)ccc32)CC[N@@H+]1C ZINC000906985526 663989011 /nfs/dbraw/zinc/98/90/11/663989011.db2.gz AVNUTHPOGAMZSK-JQWIXIFHSA-N 1 0 386.315 2.691 20 0 GFADRO C[NH+]1CCC2(CCCN(S(=O)(=O)c3c[nH]c4ncc(Cl)cc34)C2)CC1 ZINC000907176020 664009299 /nfs/dbraw/zinc/00/92/99/664009299.db2.gz PRSAADFDPQLNRI-UHFFFAOYSA-N 1 0 382.917 2.713 20 0 GFADRO CC[NH+]1CCN(CC(C)(C)NS(=O)(=O)c2cc3ccccc3s2)CC1 ZINC000907240499 664014962 /nfs/dbraw/zinc/01/49/62/664014962.db2.gz WZTHJBVJECXTJY-UHFFFAOYSA-N 1 0 381.567 2.596 20 0 GFADRO Cc1cc(CS(=O)(=O)N(C)C[C@H]2CC[N@H+](Cc3ccc(C)s3)C2)on1 ZINC000907344214 664025766 /nfs/dbraw/zinc/02/57/66/664025766.db2.gz DOUVUHZANDFSCM-OAHLLOKOSA-N 1 0 383.539 2.637 20 0 GFADRO O=S(=O)(c1ccns1)N1CCC(c2ccccc2)([NH+]2CCCC2)CC1 ZINC000907498440 664041533 /nfs/dbraw/zinc/04/15/33/664041533.db2.gz ZTJVTMUKKSQUES-UHFFFAOYSA-N 1 0 377.535 2.919 20 0 GFADRO O=C(NCC1CC[NH+](C2CC2)CC1)c1cc(Br)cn(C2CC2)c1=O ZINC000907784256 664062152 /nfs/dbraw/zinc/06/21/52/664062152.db2.gz XWCQKUFGDSXXSE-UHFFFAOYSA-N 1 0 394.313 2.550 20 0 GFADRO Cc1cc(Br)ccc1CS(=O)(=O)N1CCC12CC[NH+](C)CC2 ZINC000907856979 664066409 /nfs/dbraw/zinc/06/64/09/664066409.db2.gz GDIQCRAYAULDLO-UHFFFAOYSA-N 1 0 387.343 2.757 20 0 GFADRO CN1CC[N@H+](C)CC(C(=O)Nc2ccc(OCC(F)(F)F)c(Cl)c2)C1 ZINC000908016012 664077157 /nfs/dbraw/zinc/07/71/57/664077157.db2.gz KZNLTRKYXUJJTO-UHFFFAOYSA-N 1 0 379.810 2.713 20 0 GFADRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1cccn2ncc(Br)c12 ZINC000908190079 664090844 /nfs/dbraw/zinc/09/08/44/664090844.db2.gz NWWOPNKAFGWMKW-DOMZBBRYSA-N 1 0 377.286 2.796 20 0 GFADRO CC(C)(Cc1ccc(Br)cc1)C(=O)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000908203962 664091830 /nfs/dbraw/zinc/09/18/30/664091830.db2.gz SQCQOIOCDRQMHR-IAGOWNOFSA-N 1 0 395.341 2.685 20 0 GFADRO CC(C)(Cc1ccc(Br)cc1)C(=O)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000908203961 664091868 /nfs/dbraw/zinc/09/18/68/664091868.db2.gz SQCQOIOCDRQMHR-DLBZAZTESA-N 1 0 395.341 2.685 20 0 GFADRO Cc1cc(Br)cc(Cl)c1C(=O)N[C@H](CO)C[NH+]1CCCC1 ZINC000908204218 664091879 /nfs/dbraw/zinc/09/18/79/664091879.db2.gz PFSWGMDOEZGZQC-LBPRGKRZSA-N 1 0 375.694 2.597 20 0 GFADRO C[NH+](C)CCn1nccc1C(=O)NC1(Cc2ccccc2Br)CC1 ZINC000908361677 664101809 /nfs/dbraw/zinc/10/18/09/664101809.db2.gz CVAOJXRNSIMPKJ-UHFFFAOYSA-N 1 0 391.313 2.712 20 0 GFADRO C[C@@H]1CN(C(=O)c2cccn3ncc(Br)c23)CC[N@@H+](C2CC2)C1 ZINC000908503794 664111192 /nfs/dbraw/zinc/11/11/92/664111192.db2.gz OQDVAGCZSBEFTC-LBPRGKRZSA-N 1 0 377.286 2.653 20 0 GFADRO Cc1cc(Br)c(C(=O)N2CCC(CO)([NH2+]C(C)C)CC2)s1 ZINC000908606650 664117375 /nfs/dbraw/zinc/11/73/75/664117375.db2.gz OFTVOCOJVVAGKV-UHFFFAOYSA-N 1 0 375.332 2.784 20 0 GFADRO CC(C)[NH2+]C1(CO)CCN(C(=O)c2nc(Br)sc2Cl)CC1 ZINC000908606243 664117387 /nfs/dbraw/zinc/11/73/87/664117387.db2.gz CVAMMGBQFVFYEB-UHFFFAOYSA-N 1 0 396.738 2.524 20 0 GFADRO C[N@H+](CCCCNC(=O)c1cnnn1-c1ccccc1Br)C1CC1 ZINC000909556222 664162827 /nfs/dbraw/zinc/16/28/27/664162827.db2.gz NAFRNLUKHKYRMW-UHFFFAOYSA-N 1 0 392.301 2.634 20 0 GFADRO C[C@@H](NC(=O)C(=O)N1CC[C@H](CC[NH3+])C1)c1cc(F)c(Cl)cc1Cl ZINC000910963721 664231940 /nfs/dbraw/zinc/23/19/40/664231940.db2.gz URKAVHUZZLDATR-ZJUUUORDSA-N 1 0 376.259 2.507 20 0 GFADRO C[C@H](NC(=O)c1cnn(Cc2ccccc2)c1Br)[C@@H]1CCC[NH2+]C1 ZINC000911726870 664254299 /nfs/dbraw/zinc/25/42/99/664254299.db2.gz VUHUGQGWBIGKHJ-DZGCQCFKSA-N 1 0 391.313 2.812 20 0 GFADRO C[C@@H](NC(=O)c1cc(Br)cnc1Br)[C@H]1CCC[NH2+]C1 ZINC000911727175 664254512 /nfs/dbraw/zinc/25/45/12/664254512.db2.gz XGXPANZSNIHCEY-BDAKNGLRSA-N 1 0 391.107 2.725 20 0 GFADRO [NH3+]CCOc1cccc(NC(=O)c2cc(Br)cn(C3CC3)c2=O)c1 ZINC000911762125 664255670 /nfs/dbraw/zinc/25/56/70/664255670.db2.gz VVGCAQRFDGSNNJ-UHFFFAOYSA-N 1 0 392.253 2.536 20 0 GFADRO C[C@@H]1CN(C(=O)c2c(Cl)ccc(I)c2F)CC[C@H]1[NH3+] ZINC000911816646 664256971 /nfs/dbraw/zinc/25/69/71/664256971.db2.gz CUNSTHGXWGJJCE-GMSGAONNSA-N 1 0 396.631 2.893 20 0 GFADRO CCC([NH3+])(CC)CNC(=O)c1cc(Br)cnc1Br ZINC000911856754 664259302 /nfs/dbraw/zinc/25/93/02/664259302.db2.gz ABLYLZBUKWDJOH-UHFFFAOYSA-N 1 0 379.096 2.854 20 0 GFADRO Cc1c2cc(C(=O)N(CCO)C3CC[NH+](C)CC3)[nH]c2ccc1Br ZINC000911945285 664263215 /nfs/dbraw/zinc/26/32/15/664263215.db2.gz FMMVCHZERXAZNE-UHFFFAOYSA-N 1 0 394.313 2.768 20 0 GFADRO O=C(Nc1cccc(I)c1)c1cnc(C2CC[NH2+]CC2)o1 ZINC000911943790 664263228 /nfs/dbraw/zinc/26/32/28/664263228.db2.gz PMPPJCNLOIFFPN-UHFFFAOYSA-N 1 0 397.216 2.999 20 0 GFADRO C[C@@]1(C(=O)Nc2nc(-c3cccc(Br)c3)cs2)C[C@H](O)C[NH2+]1 ZINC000911967737 664264116 /nfs/dbraw/zinc/26/41/16/664264116.db2.gz LXFLIFBZSXOZDI-NHYWBVRUSA-N 1 0 382.283 2.624 20 0 GFADRO C[N@@H+]1CCN(CCNc2ccc(-c3nnc(Br)o3)cc2)CC1(C)C ZINC000912123111 664270981 /nfs/dbraw/zinc/27/09/81/664270981.db2.gz CUYCZFJKNLLFKY-UHFFFAOYSA-N 1 0 394.317 2.937 20 0 GFADRO C[C@@]1(C(=O)Nc2ncc(Cc3ccc(Br)cc3)s2)C[C@H](O)C[NH2+]1 ZINC000912168139 664272891 /nfs/dbraw/zinc/27/28/91/664272891.db2.gz DFOYOGZYWROHMT-LRDDRELGSA-N 1 0 396.310 2.548 20 0 GFADRO C[C@@]1(C(=O)Nc2ncc(Cc3ccc(Br)cc3)s2)C[C@@H](O)C[NH2+]1 ZINC000912168199 664272992 /nfs/dbraw/zinc/27/29/92/664272992.db2.gz DFOYOGZYWROHMT-WBMJQRKESA-N 1 0 396.310 2.548 20 0 GFADRO O[C@H]1CC[N@@H+](C2CCN(c3ccc(-c4nnc(Br)o4)cc3)CC2)C1 ZINC000912281562 664279459 /nfs/dbraw/zinc/27/94/59/664279459.db2.gz TZRIPELBDGAAHO-HNNXBMFYSA-N 1 0 393.285 2.535 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)c1cc(Br)cn(C2CC2)c1=O ZINC000912283293 664279472 /nfs/dbraw/zinc/27/94/72/664279472.db2.gz IKSBDCWHYNOZEI-CYBMUJFWSA-N 1 0 382.302 2.548 20 0 GFADRO O=C(C[C@H](O)C(Cl)(Cl)Cl)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000912403891 664285276 /nfs/dbraw/zinc/28/52/76/664285276.db2.gz YZOVMZIETCMNKQ-AWEZNQCLSA-N 1 0 394.730 2.531 20 0 GFADRO COc1ccc(Br)cc1[C@@H](N)C(=O)NCc1ccc2c(c1)CCO2 ZINC000912442708 664286808 /nfs/dbraw/zinc/28/68/08/664286808.db2.gz OYUVVUNSJTZUEM-QGZVFWFLSA-N 1 0 391.265 2.709 20 0 GFADRO COc1cc(NC(=O)[C@@H]2CC[NH2+][C@H]([C@@H]3CCCO3)C2)ccc1Br ZINC000912438685 664286907 /nfs/dbraw/zinc/28/69/07/664286907.db2.gz QYAHXGBKRXGAOR-UGFHNGPFSA-N 1 0 383.286 2.943 20 0 GFADRO O=C(C[C@]1(O)CCC[NH2+]C1)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 ZINC000912465340 664288622 /nfs/dbraw/zinc/28/86/22/664288622.db2.gz BGGHNMQTPUQWJZ-GIPNMCIBSA-N 1 0 376.341 2.517 20 0 GFADRO CC(C)C[NH2+]C1(CO)CCN(C(=O)COc2c(Cl)cccc2Cl)CC1 ZINC000912595584 664294449 /nfs/dbraw/zinc/29/44/49/664294449.db2.gz VCCNQEAOWFMKDT-UHFFFAOYSA-N 1 0 389.323 2.971 20 0 GFADRO Cc1csc(C(=O)N2CCC([NH+]3CCC3)CC2)c1I ZINC000912875315 664307085 /nfs/dbraw/zinc/30/70/85/664307085.db2.gz ZKYVPQVCASACKB-UHFFFAOYSA-N 1 0 390.290 2.971 20 0 GFADRO C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N1CCC([NH+]2CCC2)CC1 ZINC000912880729 664307330 /nfs/dbraw/zinc/30/73/30/664307330.db2.gz HOLICTQOSCRNTB-LBPRGKRZSA-N 1 0 384.307 2.808 20 0 GFADRO O=C(Nc1n[nH]cc1I)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000912888962 664308760 /nfs/dbraw/zinc/30/87/60/664308760.db2.gz QNZKGKNYHQSSPQ-JTQLQIEISA-N 1 0 388.253 2.607 20 0 GFADRO O=C(c1c(O)cnc2c(Br)cccc21)N1CC[C@H]([NH+]2CCC2)C1 ZINC000912906520 664309271 /nfs/dbraw/zinc/30/92/71/664309271.db2.gz GIGBUMFKHVEYEM-NSHDSACASA-N 1 0 376.254 2.623 20 0 GFADRO Cc1cc(I)cc(C(=O)N2CC[C@@H]([NH+]3CCC3)C2)c1C ZINC000912912767 664309915 /nfs/dbraw/zinc/30/99/15/664309915.db2.gz DKCSJKOZKSRRNQ-CQSZACIVSA-N 1 0 384.261 2.828 20 0 GFADRO COc1nsc(CNC(=O)C2CC[NH+](C(C)C)CC2)c1Br ZINC000912944788 664311427 /nfs/dbraw/zinc/31/14/27/664311427.db2.gz IJVANAPAXOUAKO-UHFFFAOYSA-N 1 0 376.320 2.651 20 0 GFADRO O=C(NC[C@@H]1CC[N@@H+]1C1CCCC1)c1cc(Br)cn(C2CC2)c1=O ZINC000913159218 664326877 /nfs/dbraw/zinc/32/68/77/664326877.db2.gz LEZXFBFIKBLYCU-HNNXBMFYSA-N 1 0 394.313 2.692 20 0 GFADRO C[NH+](C)C1(C)CCN(C(=O)Cc2ccc(I)cc2)CC1 ZINC000913393033 664334609 /nfs/dbraw/zinc/33/46/09/664334609.db2.gz IUPHHYFPUXOKME-UHFFFAOYSA-N 1 0 386.277 2.776 20 0 GFADRO O=S(=O)(Cc1ccc(F)cc1Br)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000913934285 664366997 /nfs/dbraw/zinc/36/69/97/664366997.db2.gz HGEWGESMWPGSGB-KGLIPLIRSA-N 1 0 391.306 2.634 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)N1CCC(CO)(C(F)(F)F)CC1)c1ccsc1 ZINC000914073528 664374330 /nfs/dbraw/zinc/37/43/30/664374330.db2.gz NFQOEAWLERCQPJ-ZDUSSCGKSA-N 1 0 379.448 2.697 20 0 GFADRO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)N1CCC[C@H]1c1ncc(Br)cn1 ZINC000914161316 664380464 /nfs/dbraw/zinc/38/04/64/664380464.db2.gz WENXJFUHCYQLLX-DOMZBBRYSA-N 1 0 394.317 2.570 20 0 GFADRO O=C(NCc1csc(Br)c1)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000914202765 664385354 /nfs/dbraw/zinc/38/53/54/664385354.db2.gz RUJRYYJOLQGEKX-ZDUSSCGKSA-N 1 0 388.331 2.563 20 0 GFADRO C[N@@H+]1CCC[C@H]2CN(S(=O)(=O)Cc3ccsc3Br)CC[C@H]21 ZINC000914259134 664391684 /nfs/dbraw/zinc/39/16/84/664391684.db2.gz LUONJRSTEGKJAZ-WCQYABFASA-N 1 0 393.372 2.757 20 0 GFADRO O=S(=O)(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1cscc1C(F)F ZINC000914263564 664392141 /nfs/dbraw/zinc/39/21/41/664392141.db2.gz UCNVRPIICFOMLI-KGLIPLIRSA-N 1 0 394.509 2.732 20 0 GFADRO C[C@H]1CCC[C@@](CNC(=O)NCc2cnc(Br)cn2)([NH+](C)C)C1 ZINC000914313901 664397995 /nfs/dbraw/zinc/39/79/95/664397995.db2.gz IIQZDGMVMJEHCG-BLLLJJGKSA-N 1 0 384.322 2.549 20 0 GFADRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)N(C)Cc1ncc(Br)cn1 ZINC000914341008 664401541 /nfs/dbraw/zinc/40/15/41/664401541.db2.gz JYNJKKMWLIYSAR-STQMWFEESA-N 1 0 384.322 2.501 20 0 GFADRO O=C(NCCc1nc2ccccc2s1)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000914389803 664405461 /nfs/dbraw/zinc/40/54/61/664405461.db2.gz ICUZNIPRZKJZAC-UKRRQHHQSA-N 1 0 376.551 2.718 20 0 GFADRO O=C(NCC[NH+]1CCCCCC1)Nc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000915314879 664427607 /nfs/dbraw/zinc/42/76/07/664427607.db2.gz UFWJGAJMSBCYGR-UHFFFAOYSA-N 1 0 375.441 2.680 20 0 GFADRO O=C(NCc1sccc1Br)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000915390188 664429952 /nfs/dbraw/zinc/42/99/52/664429952.db2.gz IMPUJYCUVIQWAG-GFCCVEGCSA-N 1 0 388.331 2.563 20 0 GFADRO O=C(COc1ccc(Br)cc1)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000915625374 664435860 /nfs/dbraw/zinc/43/58/60/664435860.db2.gz KCDOKCROAKEFPQ-KRWDZBQOSA-N 1 0 397.313 2.588 20 0 GFADRO C[NH+](C)CCCOC(=O)c1cc(S(=O)(=O)NC2CC2)c(Cl)cc1Cl ZINC000916555704 664464681 /nfs/dbraw/zinc/46/46/81/664464681.db2.gz OENXQNUEFKBIRD-UHFFFAOYSA-N 1 0 395.308 2.543 20 0 GFADRO COC1CC[NH+](C(C)(C)CNC(=O)N2CCS[C@@H](C(F)(F)F)C2)CC1 ZINC000917419036 664482584 /nfs/dbraw/zinc/48/25/84/664482584.db2.gz GLUVRTAGFTXKOA-CYBMUJFWSA-N 1 0 383.480 2.565 20 0 GFADRO CC(C)[NH2+]C1(CO)CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000917527274 664485487 /nfs/dbraw/zinc/48/54/87/664485487.db2.gz DLBUUKGEKXDNBC-UHFFFAOYSA-N 1 0 381.325 2.507 20 0 GFADRO CC(C)[NH2+]C1(CO)CCN(S(=O)(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000917544058 664485907 /nfs/dbraw/zinc/48/59/07/664485907.db2.gz CCKVDTPICRDTTC-UHFFFAOYSA-N 1 0 381.325 2.507 20 0 GFADRO C[NH+](C)C[C@@H]1COC2(CCCC2)CN1S(=O)(=O)c1cscc1C(F)F ZINC000917746920 664489856 /nfs/dbraw/zinc/48/98/56/664489856.db2.gz RBJDUWXKIFLQBF-GFCCVEGCSA-N 1 0 394.509 2.950 20 0 GFADRO O=C(N[C@H]1CC[N@@H+](C2CC2)C1)N1CCC[C@H]1c1cncc(Br)c1 ZINC000918891691 664506051 /nfs/dbraw/zinc/50/60/51/664506051.db2.gz ATQGJXYKIKZXKP-HOCLYGCPSA-N 1 0 379.302 2.927 20 0 GFADRO O=C(NCCCCC[NH+]1CCCCC1)NCc1cnc(Br)cn1 ZINC000919650511 664516087 /nfs/dbraw/zinc/51/60/87/664516087.db2.gz ANJCLZAJCBRREU-UHFFFAOYSA-N 1 0 384.322 2.695 20 0 GFADRO COC(=O)N1CCC([NH2+]C[C@H](O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000920093485 664522227 /nfs/dbraw/zinc/52/22/27/664522227.db2.gz WEUOXPHSOIPJBT-LBPRGKRZSA-N 1 0 377.268 2.554 20 0 GFADRO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NS(=O)(=O)c3cc(C)c(C)s3)C2)[C@@H]1C(C)C ZINC000920302477 664524455 /nfs/dbraw/zinc/52/44/55/664524455.db2.gz IYHCHQOWEQZLDC-LMSBXDPUSA-N 1 0 386.583 2.513 20 0 GFADRO CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NS(=O)(=O)c3sc(C)cc3C)C2)[C@@H]1C(C)C ZINC000920303224 664524568 /nfs/dbraw/zinc/52/45/68/664524568.db2.gz MLYBOFJKHADMAI-XLMAVXFVSA-N 1 0 386.583 2.513 20 0 GFADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)N1CCC[C@@H]1c1ncc(Br)cn1 ZINC000921437787 664548547 /nfs/dbraw/zinc/54/85/47/664548547.db2.gz GUPKFWJEWTYDNC-LSDHHAIUSA-N 1 0 396.333 2.960 20 0 GFADRO Clc1ccccc1[C@@H](C[NH2+]Cc1nc(Br)c[nH]1)N1CCOCC1 ZINC000921500843 664550789 /nfs/dbraw/zinc/55/07/89/664550789.db2.gz HYICJEIBJGMDSB-CQSZACIVSA-N 1 0 399.720 2.989 20 0 GFADRO CCn1c(CN[C@H](C)CC[NH+](C)C)nc(Br)c1Br ZINC000921621417 664558232 /nfs/dbraw/zinc/55/82/32/664558232.db2.gz YWJAUHXDJGPPHH-SECBINFHSA-N 1 0 382.144 2.858 20 0 GFADRO Cn1nc2c(c1C[NH2+]CCCNC(=O)c1cccc(Br)c1)CCC2 ZINC000921647430 664559184 /nfs/dbraw/zinc/55/91/84/664559184.db2.gz LSHFNNVNCJSHAI-UHFFFAOYSA-N 1 0 391.313 2.581 20 0 GFADRO Cn1nc2c(c1C[NH2+][C@H]1CCN(c3ccc(Br)cc3)C1)COCC2 ZINC000921671850 664560134 /nfs/dbraw/zinc/56/01/34/664560134.db2.gz DQHNMMNTTMXLQB-AWEZNQCLSA-N 1 0 391.313 2.624 20 0 GFADRO CCn1c(Br)c(Br)nc1CNC[C@H]1CCC[N@H+](C)C1 ZINC000921714529 664563282 /nfs/dbraw/zinc/56/32/82/664563282.db2.gz BFOKDIMEXSGIQA-SNVBAGLBSA-N 1 0 394.155 2.859 20 0 GFADRO CCn1c(C[NH2+]CC[C@H](C)CCO)nc(Br)c1Br ZINC000922152003 664588039 /nfs/dbraw/zinc/58/80/39/664588039.db2.gz FBHHIJHJEUUIEY-VIFPVBQESA-N 1 0 383.128 2.926 20 0 GFADRO CSc1nnc(CCC[NH2+]Cc2nc(Br)c[nH]2)n1CC(C)C ZINC000921737378 664565706 /nfs/dbraw/zinc/56/57/06/664565706.db2.gz FXRZNGZDZZKYGS-UHFFFAOYSA-N 1 0 387.351 2.864 20 0 GFADRO CCn1c(C[NH2+][C@H](CCO)C(C)C)nc(Br)c1Br ZINC000921792485 664569052 /nfs/dbraw/zinc/56/90/52/664569052.db2.gz XWNUQIFBBJAWDX-SECBINFHSA-N 1 0 383.128 2.925 20 0 GFADRO CN(C)C(=O)[C@@H]1CC[C@H](C[NH2+]Cc2cc3c(cc(F)cc3Br)[nH]2)O1 ZINC000921966429 664579325 /nfs/dbraw/zinc/57/93/25/664579325.db2.gz GLFFAKXMRKXSMF-WBMJQRKESA-N 1 0 398.276 2.795 20 0 GFADRO CCn1c(C[NH2+]CC[C@H]2CCOC2)nc(Br)c1Br ZINC000921992962 664580651 /nfs/dbraw/zinc/58/06/51/664580651.db2.gz UIVKHNUQSZZEDO-VIFPVBQESA-N 1 0 381.112 2.944 20 0 GFADRO Cc1nc(C[NH2+]C[C@H]2CC(=O)N(C)[C@@H]2c2cccnc2)sc1Br ZINC000922206275 664590182 /nfs/dbraw/zinc/59/01/82/664590182.db2.gz OOMYUSWJOQTUPL-IUODEOHRSA-N 1 0 395.326 2.918 20 0 GFADRO CCn1c(Br)c(Br)nc1CNC1CC([NH+](C)C)C1 ZINC000922214735 664590401 /nfs/dbraw/zinc/59/04/01/664590401.db2.gz RYBBXBPBLXEHTO-UHFFFAOYSA-N 1 0 380.128 2.610 20 0 GFADRO O=C(N[C@H]1CCC[N@H+](CCN2CCOCC2)C1)c1c(Cl)cccc1Cl ZINC000922342695 664595442 /nfs/dbraw/zinc/59/54/42/664595442.db2.gz CDFVNADBXYSTDL-AWEZNQCLSA-N 1 0 386.323 2.520 20 0 GFADRO Cc1nc(CN[C@@H]2C[C@@]3(C[N@@H+](C)[C@H]3C(C)C)C[C@H]2O)sc1Br ZINC000922391231 664598547 /nfs/dbraw/zinc/59/85/47/664598547.db2.gz VBZKQTBJGJGNDL-HLSYRSCKSA-N 1 0 388.375 2.783 20 0 GFADRO CCO[C@@H](CNC(=O)N[C@H](c1cncc(Br)c1)C1CC1)C[NH+](C)C ZINC000922393639 664599194 /nfs/dbraw/zinc/59/91/94/664599194.db2.gz QZMICYLFSZBWSM-HOTGVXAUSA-N 1 0 399.333 2.561 20 0 GFADRO Cn1nccc1[C@@H]1[C@@H]([NH2+]Cc2sccc2Br)CCC(=O)N1C ZINC000922403741 664599803 /nfs/dbraw/zinc/59/98/03/664599803.db2.gz CFYYUFHUUIDYQJ-NHYWBVRUSA-N 1 0 383.315 2.696 20 0 GFADRO COc1cc(C[NH2+]C[C@@H]2CCO[C@@H]2c2nnc(C)[nH]2)c(F)cc1Br ZINC000922408084 664600326 /nfs/dbraw/zinc/60/03/26/664600326.db2.gz CSVAYNGBEVAFFY-BONVTDFDSA-N 1 0 399.264 2.891 20 0 GFADRO C[C@@H](NC(=O)NCc1cnc(Br)cn1)[C@@H](c1ccccc1)[NH+](C)C ZINC000922413826 664600567 /nfs/dbraw/zinc/60/05/67/664600567.db2.gz JVAUBAFYFKJQFO-WBMJQRKESA-N 1 0 392.301 2.730 20 0 GFADRO CCOCCOc1ccc(Br)cc1C[NH2+]CC[C@@H]1CC(=O)N(C)C1 ZINC000922488915 664603777 /nfs/dbraw/zinc/60/37/77/664603777.db2.gz MLYRNBAPHZVKAY-CQSZACIVSA-N 1 0 399.329 2.822 20 0 GFADRO CSC1(CNC(=O)NCC[C@@H]2CC[C@@H](C(F)(F)F)O2)CC[NH+](C)CC1 ZINC000922529796 664605801 /nfs/dbraw/zinc/60/58/01/664605801.db2.gz KVGJPRBOLGOUJX-STQMWFEESA-N 1 0 383.480 2.613 20 0 GFADRO CSC1(CNC(=O)NC[C@H]2CCC[C@H](C(F)(F)F)O2)CC[NH+](C)CC1 ZINC000922530271 664606007 /nfs/dbraw/zinc/60/60/07/664606007.db2.gz WSJQLPULGDKOIQ-CHWSQXEVSA-N 1 0 383.480 2.613 20 0 GFADRO CO[C@]1(C[NH2+]Cc2cnc(-c3ccc(Cl)cc3)s2)CCS(=O)(=O)C1 ZINC000922617357 664608444 /nfs/dbraw/zinc/60/84/44/664608444.db2.gz LEYOOCXPBDGNCJ-INIZCTEOSA-N 1 0 386.926 2.757 20 0 GFADRO Cc1nc(C[NH2+]CCc2ccccc2S(C)(=O)=O)sc1Br ZINC000922683665 664610568 /nfs/dbraw/zinc/61/05/68/664610568.db2.gz ZQCNGGOEPFHDPK-UHFFFAOYSA-N 1 0 389.340 2.950 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+]C[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000922724311 664612001 /nfs/dbraw/zinc/61/20/01/664612001.db2.gz AVQZGVSSIRQRRO-BVGQSLNGSA-N 1 0 392.297 2.837 20 0 GFADRO Brc1cccc(-c2c[nH]c(C[NH2+]C[C@H]3C[C@@H]4COC[C@@H]4O3)n2)c1 ZINC000922724109 664612012 /nfs/dbraw/zinc/61/20/12/664612012.db2.gz DMDVLFGBIFCATQ-XPKDYRNWSA-N 1 0 378.270 2.733 20 0 GFADRO FC(F)Oc1ccc(C[NH2+]C[C@@H]2C[C@@H]3COC[C@@H]3O2)cc1Br ZINC000922724399 664612024 /nfs/dbraw/zinc/61/20/24/664612024.db2.gz BRKILUVFLJEWNR-SUNKGSAMSA-N 1 0 378.213 2.944 20 0 GFADRO Cc1nn(-c2cccc(Br)c2)cc1C[NH2+]CC[C@@H]1CNC(=O)C1 ZINC000922779093 664614366 /nfs/dbraw/zinc/61/43/66/664614366.db2.gz PFALPIRPDBPNKS-ZDUSSCGKSA-N 1 0 377.286 2.559 20 0 GFADRO Cc1nn(C)c2ncc(C[NH2+]CC3(n4cc(Br)cn4)CC3)cc12 ZINC000922803535 664615094 /nfs/dbraw/zinc/61/50/94/664615094.db2.gz YCRYVCVOCBFFOT-UHFFFAOYSA-N 1 0 375.274 2.515 20 0 GFADRO O=C(COc1cccc(Br)c1)N1CCC([NH2+]C2CCOCC2)CC1 ZINC000922849888 664616478 /nfs/dbraw/zinc/61/64/78/664616478.db2.gz PHAMHYJXBNBKAA-UHFFFAOYSA-N 1 0 397.313 2.588 20 0 GFADRO O=C([C@H](O)c1cc(Cl)cc(Cl)c1)N1CCC([NH2+]C2CCOCC2)CC1 ZINC000922876160 664617237 /nfs/dbraw/zinc/61/72/37/664617237.db2.gz JYTSVDLVHNYEQL-QGZVFWFLSA-N 1 0 387.307 2.786 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)NC1(c2ncc(Br)cn2)CCC1 ZINC000923167451 664623481 /nfs/dbraw/zinc/62/34/81/664623481.db2.gz CXTWTWASWBLLDB-ZDUSSCGKSA-N 1 0 396.333 2.790 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)N2CCC[C@H]2c2ncc(Br)cn2)C1 ZINC000923190135 664623928 /nfs/dbraw/zinc/62/39/28/664623928.db2.gz MUDZLAYGPPVISV-KBPBESRZSA-N 1 0 396.333 2.958 20 0 GFADRO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NC(=O)NCC[C@@H]3CC3(Cl)Cl)C2)[C@@H]1C(C)C ZINC000923371743 664629189 /nfs/dbraw/zinc/62/91/89/664629189.db2.gz ZTGPUXVANZRXFW-NPCUJANDSA-N 1 0 392.371 2.739 20 0 GFADRO Brc1ccc2[nH]c3c(c2c1)CN(C[C@@H]1CC2(C[NH2+]C2)CO1)CC3 ZINC000923392418 664629428 /nfs/dbraw/zinc/62/94/28/664629428.db2.gz RSMWEKGSSZXIPC-ZDUSSCGKSA-N 1 0 376.298 2.667 20 0 GFADRO Clc1cc(CN2CC[NH2+]CCN(Cc3ccnc(Cl)c3)CC2)ccn1 ZINC000923397189 664629707 /nfs/dbraw/zinc/62/97/07/664629707.db2.gz ZOOMNIGMBOCCDF-UHFFFAOYSA-N 1 0 380.323 2.691 20 0 GFADRO O[C@H](COc1ccc(Cl)cc1Br)CN1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000923417560 664630167 /nfs/dbraw/zinc/63/01/67/664630167.db2.gz ZIFRIQBKOWWTES-QEJZJMRPSA-N 1 0 389.721 2.669 20 0 GFADRO Cc1ccc(NC(=O)CN2CCC3(CO[C@H](C[NH3+])C3)CC2)c(Br)c1 ZINC000923459082 664630890 /nfs/dbraw/zinc/63/08/90/664630890.db2.gz ZGQDYFNMYJENGE-AWEZNQCLSA-N 1 0 396.329 2.526 20 0 GFADRO Cc1c(Br)cccc1CS(=O)(=O)N1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923698545 664636250 /nfs/dbraw/zinc/63/62/50/664636250.db2.gz DLLGUYPPJHVQPD-AAEUAGOBSA-N 1 0 375.332 2.504 20 0 GFADRO C[C@@H]1CN(S(=O)(=O)c2cc(Br)ccc2Cl)CC[C@H]1C[NH3+] ZINC000923701797 664636427 /nfs/dbraw/zinc/63/64/27/664636427.db2.gz XJCPHQTUXWIJBJ-ZJUUUORDSA-N 1 0 381.723 2.708 20 0 GFADRO C[C@H]1CN(S(=O)(=O)c2oc3ccccc3c2Br)CC[C@@H]1C[NH3+] ZINC000923702439 664636458 /nfs/dbraw/zinc/63/64/58/664636458.db2.gz OSQJUGRQEXIWBZ-WDEREUQCSA-N 1 0 387.299 2.801 20 0 GFADRO Cc1cc(Br)ccc1CS(=O)(=O)N1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923704186 664636582 /nfs/dbraw/zinc/63/65/82/664636582.db2.gz SXQFCULLIHBACV-CHWSQXEVSA-N 1 0 375.332 2.504 20 0 GFADRO Brc1cnn2cc(-c3nc([C@H]4C[N@@H+]5CCC[C@@H]5CO4)no3)ccc12 ZINC000923959981 664641761 /nfs/dbraw/zinc/64/17/61/664641761.db2.gz PPARGBNLCSRCHE-BXUZGUMPSA-N 1 0 390.241 2.683 20 0 GFADRO COc1nc(C)c(Br)cc1-c1noc([C@H]2C[N@@H+]3CCC[C@H]3CO2)n1 ZINC000924046725 664645444 /nfs/dbraw/zinc/64/54/44/664645444.db2.gz NBZBKMICIQGLAL-GXFFZTMASA-N 1 0 395.257 2.747 20 0 GFADRO C[NH+](C)CC1(c2nc(COc3ccc(I)cc3)no2)CC1 ZINC000924048274 664645450 /nfs/dbraw/zinc/64/54/50/664645450.db2.gz OCKAOWBGQUKULF-UHFFFAOYSA-N 1 0 399.232 2.846 20 0 GFADRO C[N@@H+]1CCCC[C@H]1CCOC(=O)CS(=O)(=O)Cc1ccc(Cl)s1 ZINC000924257605 664652266 /nfs/dbraw/zinc/65/22/66/664652266.db2.gz CISZAXSNWZGWRT-LBPRGKRZSA-N 1 0 379.931 2.734 20 0 GFADRO Cc1sc(CN2C(=O)N[C@H](C[NH+](C)C)C2=O)nc1-c1ccc(Cl)cc1 ZINC000924488032 664655926 /nfs/dbraw/zinc/65/59/26/664655926.db2.gz OAWDRPQBVXMYBX-CYBMUJFWSA-N 1 0 378.885 2.754 20 0 GFADRO Cc1nc(-c2ccc(CC[NH2+][C@H]3C(=O)NCC34CCOCC4)s2)cs1 ZINC000924585973 664658547 /nfs/dbraw/zinc/65/85/47/664658547.db2.gz AWVAXBSIWBVWRU-INIZCTEOSA-N 1 0 377.535 2.607 20 0 GFADRO C[C@H]([NH2+]Cc1cc(Br)cs1)C1CCN(S(C)(=O)=O)CC1 ZINC000924696537 664659642 /nfs/dbraw/zinc/65/96/42/664659642.db2.gz DUXBXCHYEDZAAC-JTQLQIEISA-N 1 0 381.361 2.660 20 0 GFADRO C[C@H]([NH2+]Cc1ccc(Br)cc1)C1CCN(S(C)(=O)=O)CC1 ZINC000924829893 664662459 /nfs/dbraw/zinc/66/24/59/664662459.db2.gz UQUVNEGYEUVTNV-LBPRGKRZSA-N 1 0 375.332 2.599 20 0 GFADRO C[C@H](C(=O)Nc1ccc(C[NH+](C)C)c(C(F)(F)F)c1)[C@H](C)S(C)(=O)=O ZINC000924892946 664663773 /nfs/dbraw/zinc/66/37/73/664663773.db2.gz LEPVMJHHCYTINR-QWRGUYRKSA-N 1 0 380.432 2.775 20 0 GFADRO Brc1ccc(N2CC[C@H]([NH2+][C@@H]3CCOC34CCOCC4)C2)cc1 ZINC000924938740 664664219 /nfs/dbraw/zinc/66/42/19/664664219.db2.gz MTRBBUJEQJWGES-DOTOQJQBSA-N 1 0 381.314 2.956 20 0 GFADRO Cc1ccc(OC(F)F)c(C[NH2+][C@@H](C)C2CCN(S(C)(=O)=O)CC2)c1 ZINC000925254768 664669411 /nfs/dbraw/zinc/66/94/11/664669411.db2.gz RKTKCDZNKWVGQK-ZDUSSCGKSA-N 1 0 376.469 2.746 20 0 GFADRO CC[N@@H+]1CC[C@H](N2C(=O)CN([C@H](C)c3cccc(Br)c3)C2=O)C1 ZINC000925315651 664670450 /nfs/dbraw/zinc/67/04/50/664670450.db2.gz CVZAGTSMZUFJKN-DOMZBBRYSA-N 1 0 380.286 2.869 20 0 GFADRO CCC[N@@H+]1CC[C@H](N2C(=O)[C@@H](c3ccc(Br)s3)N(C)C2=O)C1 ZINC000925357949 664670930 /nfs/dbraw/zinc/67/09/30/664670930.db2.gz HZMZIVNJBZFDRU-GXFFZTMASA-N 1 0 386.315 2.930 20 0 GFADRO C[C@H]([NH2+]Cc1sccc1Br)C1CCN(S(C)(=O)=O)CC1 ZINC000925357531 664670940 /nfs/dbraw/zinc/67/09/40/664670940.db2.gz GLSXZOKXFBIGKG-JTQLQIEISA-N 1 0 381.361 2.660 20 0 GFADRO CCN(CC)S(=O)(=O)c1ccc(CCN[C@H]2CC[NH2+]C23CCCC3)s1 ZINC000925490444 664672643 /nfs/dbraw/zinc/67/26/43/664672643.db2.gz NSXDVRDSYIESOC-INIZCTEOSA-N 1 0 385.599 2.585 20 0 GFADRO C[C@@H]([NH2+][C@@H](C)C1CCN(S(C)(=O)=O)CC1)[C@@H](O)c1c(F)cccc1Cl ZINC000925485648 664672698 /nfs/dbraw/zinc/67/26/98/664672698.db2.gz OQFWUCFJMCDSSE-XWCIJXRUSA-N 1 0 392.924 2.551 20 0 GFADRO Brc1cncc(Br)c1CN[C@H]1CC[NH2+]C12CCC2 ZINC000925677973 664673958 /nfs/dbraw/zinc/67/39/58/664673958.db2.gz BBTTUGHFLOUAQP-LBPRGKRZSA-N 1 0 375.108 2.981 20 0 GFADRO CCc1nnc2n1C[C@H]([NH2+][C@@H]1CCCc3ncc(Br)cc31)CC2 ZINC000925783182 664674584 /nfs/dbraw/zinc/67/45/84/664674584.db2.gz MWFJQWZHUCMURH-IUODEOHRSA-N 1 0 376.302 2.980 20 0 GFADRO COc1ccc(NC(=O)N2CCC3(CO[C@@H](C[NH3+])C3)CC2)c(Br)c1 ZINC000926005320 664679051 /nfs/dbraw/zinc/67/90/51/664679051.db2.gz CPZQVUMAZAEYEG-CYBMUJFWSA-N 1 0 398.301 2.819 20 0 GFADRO CSc1ccc(NC(=O)NC[C@H]2CC3(CC[NH2+]CC3)C(=O)O2)cc1Cl ZINC000926053210 664680073 /nfs/dbraw/zinc/68/00/73/664680073.db2.gz YJGQPGACVNCKOI-GFCCVEGCSA-N 1 0 383.901 2.869 20 0 GFADRO [NH3+]CC[C@@H]1CCN(C(=O)Nc2cccc(F)c2I)C1 ZINC000926080161 664681104 /nfs/dbraw/zinc/68/11/04/664681104.db2.gz QBKNBSXCWQFAFF-SECBINFHSA-N 1 0 377.201 2.633 20 0 GFADRO COc1ccc(NC(=O)N2CC[C@H](CC[NH3+])C2)c(I)c1 ZINC000926106296 664681807 /nfs/dbraw/zinc/68/18/07/664681807.db2.gz AYEXTJYYBZCGEY-JTQLQIEISA-N 1 0 389.237 2.502 20 0 GFADRO COC(=O)c1cc(NC(=O)N2CC[C@@H](C[NH3+])[C@H](C)C2)c(C)cc1Br ZINC000926114625 664682086 /nfs/dbraw/zinc/68/20/86/664682086.db2.gz FKJSRTHHYMKDCG-NEPJUHHUSA-N 1 0 398.301 2.993 20 0 GFADRO CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)c1csc(C(F)(F)F)c1)C2 ZINC000926138753 664682794 /nfs/dbraw/zinc/68/27/94/664682794.db2.gz UTKRBDFCBVZXPD-NCZKRNLISA-N 1 0 376.444 2.976 20 0 GFADRO CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)c1cc(Cl)c(N)c(Cl)c1)C2 ZINC000926138985 664682826 /nfs/dbraw/zinc/68/28/26/664682826.db2.gz XEFXPYWASDWYOI-DEICHXMPSA-N 1 0 386.323 2.785 20 0 GFADRO CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NC(=O)c1ccsc1Br)C2 ZINC000926148556 664682964 /nfs/dbraw/zinc/68/29/64/664682964.db2.gz SIGDLAVATWVSNK-NFFDBFGFSA-N 1 0 387.343 2.720 20 0 GFADRO Cc1cc(Br)cc(C(=O)N[C@@H]2C[C@@]3(C[N@@H+](C)[C@@H]3C(C)C)C[C@H]2O)c1 ZINC000926157633 664683237 /nfs/dbraw/zinc/68/32/37/664683237.db2.gz CSHGLKJHGFNIMK-MTNOOBJLSA-N 1 0 395.341 2.967 20 0 GFADRO COc1cc(Br)cc(CNC(=O)N[C@@H](CC[NH3+])C(F)(F)F)c1 ZINC000926171277 664683815 /nfs/dbraw/zinc/68/38/15/664683815.db2.gz UPDSQEBUQZDYFC-NSHDSACASA-N 1 0 384.196 2.537 20 0 GFADRO CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NC(=O)Cc1ccccc1Br)C2 ZINC000926175330 664683975 /nfs/dbraw/zinc/68/39/75/664683975.db2.gz WZAZZCXMMZAWLU-PSBWJHGTSA-N 1 0 395.341 2.588 20 0 GFADRO CC(C)Oc1cc(NC(=O)NCCN2CCC([NH3+])CC2)ccc1Br ZINC000926185649 664684253 /nfs/dbraw/zinc/68/42/53/664684253.db2.gz USGQRKXNIHNOSE-UHFFFAOYSA-N 1 0 399.333 2.781 20 0 GFADRO CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)c1cc(F)ccc1Br)C2 ZINC000926189035 664684500 /nfs/dbraw/zinc/68/45/00/664684500.db2.gz JXGTXRKBYXJIIN-CBZIJGRNSA-N 1 0 399.304 2.798 20 0 GFADRO O=S(=O)(NCC[NH2+][C@H](C1CCC1)[C@H]1CCOC1)c1ccc(F)cc1Cl ZINC000926370375 664688971 /nfs/dbraw/zinc/68/89/71/664688971.db2.gz RFJHMAZBOZKFSE-SUMWQHHRSA-N 1 0 390.908 2.552 20 0 GFADRO C[C@@H]([NH2+]CCn1cc(Br)ccc1=O)c1ccnn1CC1CCC1 ZINC000926502492 664690833 /nfs/dbraw/zinc/69/08/33/664690833.db2.gz PGMXRNARDPOAOT-CYBMUJFWSA-N 1 0 379.302 2.958 20 0 GFADRO Cc1ccc(C[C@@H](CO)C[NH2+][C@H]2CCOC23CCOCC3)cc1Br ZINC000926539516 664691756 /nfs/dbraw/zinc/69/17/56/664691756.db2.gz WKSAPJSQRSFXDZ-AEFFLSMTSA-N 1 0 398.341 2.836 20 0 GFADRO Brc1ccc([C@H]([NH2+][C@H]2CCc3nnnn3CC2)c2cccnc2)cc1 ZINC000926607118 664693581 /nfs/dbraw/zinc/69/35/81/664693581.db2.gz RERLXBFWTVYUPK-WMZOPIPTSA-N 1 0 399.296 2.915 20 0 GFADRO Ic1ccc(CC[NH2+][C@@H]2CCOC23CCOCC3)cc1 ZINC000926722760 664695707 /nfs/dbraw/zinc/69/57/07/664695707.db2.gz VGMSZSSFZIPKBW-OAHLLOKOSA-N 1 0 387.261 2.761 20 0 GFADRO CCO[C@@H](CNC(=O)N1CCC[C@H]1c1ccc(Br)cn1)C[NH+](C)C ZINC000926846817 664697877 /nfs/dbraw/zinc/69/78/77/664697877.db2.gz TYJTUGJAKZIEIY-HOCLYGCPSA-N 1 0 399.333 2.657 20 0 GFADRO C[C@@H](C[C@@H]1CCC(=O)N1)[NH2+]Cc1ccn(-c2ccc(Br)cc2)n1 ZINC000926874445 664698226 /nfs/dbraw/zinc/69/82/26/664698226.db2.gz TYAOIRYXUWMDCK-JSGCOSHPSA-N 1 0 377.286 2.782 20 0 GFADRO O=C1NCCN1CC[NH2+][C@@H](Cc1ccccc1Br)c1ccco1 ZINC000926874542 664698230 /nfs/dbraw/zinc/69/82/30/664698230.db2.gz UYHWZYCOOQPZOR-HNNXBMFYSA-N 1 0 378.270 2.941 20 0 GFADRO C[C@@H]([NH2+]C[C@H]1CCCN1CC(F)(F)F)c1ccc(NS(C)(=O)=O)cc1 ZINC000926924614 664699084 /nfs/dbraw/zinc/69/90/84/664699084.db2.gz AMVBBLHTJWOODG-IUODEOHRSA-N 1 0 379.448 2.735 20 0 GFADRO C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CC1CC2(C1)OCCO2 ZINC000927006817 664702025 /nfs/dbraw/zinc/70/20/25/664702025.db2.gz WWVXPWORKMDCNQ-LBPRGKRZSA-N 1 0 383.286 2.909 20 0 GFADRO CS(=O)(=O)C[C@H](O)C[NH2+][C@@H]1CCCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000927026670 664702404 /nfs/dbraw/zinc/70/24/04/664702404.db2.gz CIEGIQASWFTTRT-BZUAXINKSA-N 1 0 379.444 2.727 20 0 GFADRO Cn1nccc1[C@H](O)C[NH2+][C@H]1CCN(C)[C@@H](c2ccc(Br)cc2)C1 ZINC000927127052 664704966 /nfs/dbraw/zinc/70/49/66/664704966.db2.gz QGSPOTFIQBISQF-CGTJXYLNSA-N 1 0 393.329 2.641 20 0 GFADRO Cn1nnc2c1C[C@@H]([NH2+][C@@H]1CCCOc3cc(Br)ccc31)CC2 ZINC000927153941 664705228 /nfs/dbraw/zinc/70/52/28/664705228.db2.gz YDMFIBIHKOHZDX-GXTWGEPZSA-N 1 0 377.286 2.938 20 0 GFADRO CN(CCn1cc(Br)cn1)C(=O)NC1CCC(C)([NH+]2CCC2)CC1 ZINC000927301134 664707296 /nfs/dbraw/zinc/70/72/96/664707296.db2.gz UTAXKJIWMGSRMJ-UHFFFAOYSA-N 1 0 398.349 2.694 20 0 GFADRO Cc1c(NC(=O)C(=O)NCC(C)(C)[NH3+])cc(Br)cc1C(F)(F)F ZINC000927792127 664716006 /nfs/dbraw/zinc/71/60/06/664716006.db2.gz DXLHUSARDKIBPJ-UHFFFAOYSA-N 1 0 396.207 2.568 20 0 GFADRO [NH3+][C@H]1CN(C(=O)C(=O)Nc2cccc(Cl)c2Cl)CC[C@H]1C(F)(F)F ZINC000927848555 664716643 /nfs/dbraw/zinc/71/66/43/664716643.db2.gz SIWZTYXCJCTTQR-APPZFPTMSA-N 1 0 384.185 2.670 20 0 GFADRO Cc1cc(Br)cc(Cl)c1NC(=O)C(=O)N1CC[C@@H](CC[NH3+])C1 ZINC000927884503 664717313 /nfs/dbraw/zinc/71/73/13/664717313.db2.gz XAHAGMDITFDDGR-SNVBAGLBSA-N 1 0 388.693 2.547 20 0 GFADRO CC1([NH+]2CCCC2)CCC(NC(=O)CCn2cc(Br)cn2)CC1 ZINC000928013873 664719851 /nfs/dbraw/zinc/71/98/51/664719851.db2.gz JDLFGVWGXNEPET-UHFFFAOYSA-N 1 0 383.334 2.949 20 0 GFADRO C[C@@H]1[C@H](NC(=O)c2ccc(Cn3cc(Br)cn3)s2)CC[N@@H+]1C ZINC000928425596 664732339 /nfs/dbraw/zinc/73/23/39/664732339.db2.gz JABNODUSBWDEJZ-ZWNOBZJWSA-N 1 0 383.315 2.578 20 0 GFADRO O=S(=O)(NC1CC[NH+](C[C@H]2CCCC3(CCC3)O2)CC1)c1cccs1 ZINC000929154181 664747211 /nfs/dbraw/zinc/74/72/11/664747211.db2.gz IIWFJKAGUNQPPK-MRXNPFEDSA-N 1 0 384.567 2.983 20 0 GFADRO Cn1cc(Br)c(C(=O)NCC2([NH+](C)C)CCCCCC2)cc1=O ZINC000929388549 664751632 /nfs/dbraw/zinc/75/16/32/664751632.db2.gz DIQPSZVDYVLCBY-UHFFFAOYSA-N 1 0 384.318 2.532 20 0 GFADRO CC(C)c1ncc(Br)c(C(=O)N2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000929446938 664752570 /nfs/dbraw/zinc/75/25/70/664752570.db2.gz SZEMOWFMLNFFOI-UHFFFAOYSA-N 1 0 390.285 2.720 20 0 GFADRO COc1c(Cl)cc(NC(=O)N2CCN(C)CC[N@H+](C)CC2)cc1Cl ZINC000930089127 664762642 /nfs/dbraw/zinc/76/26/42/664762642.db2.gz ICHQAERUMPMMHG-UHFFFAOYSA-N 1 0 375.300 2.713 20 0 GFADRO CCc1ccc(Br)cc1C(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000930206038 664764413 /nfs/dbraw/zinc/76/44/13/664764413.db2.gz YFGUOIGTKSVXSJ-UHFFFAOYSA-N 1 0 382.346 2.769 20 0 GFADRO Cc1cc([C@H]2CCC[N@@H+]2C[C@@H](O)C2(O)CCOCC2)ccc1Br ZINC000930304812 664766659 /nfs/dbraw/zinc/76/66/59/664766659.db2.gz IWMNROKVFPARML-IAGOWNOFSA-N 1 0 384.314 2.797 20 0 GFADRO CC[N@@H+]1CC[C@@H](CNC(=O)c2cc(Br)cnc2Br)C1 ZINC000930370157 664768360 /nfs/dbraw/zinc/76/83/60/664768360.db2.gz ZSAZSGGIHQYOJI-VIFPVBQESA-N 1 0 391.107 2.678 20 0 GFADRO CC1(C)Cc2c(cccc2Br)[C@H]1[NH2+]C[C@H](O)C1(O)CCOCC1 ZINC000930553888 664773219 /nfs/dbraw/zinc/77/32/19/664773219.db2.gz ZJBDBPPGKPKESR-JKSUJKDBSA-N 1 0 384.314 2.565 20 0 GFADRO Cc1ccc(Br)c(NC(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)c1 ZINC000930588992 664773793 /nfs/dbraw/zinc/77/37/93/664773793.db2.gz PRVPFUPCIHFLGG-HOTGVXAUSA-N 1 0 382.302 2.820 20 0 GFADRO C[C@H]1C[N@H+](CCCCOc2ccc(Br)cc2)[C@@H](C)CN1CCO ZINC000930744785 664777354 /nfs/dbraw/zinc/77/73/54/664777354.db2.gz TVSZQHUNLSTICW-HOTGVXAUSA-N 1 0 385.346 2.995 20 0 GFADRO COCCOc1ccc(Br)cc1NC(=O)N[C@H]1CC[N@H+](C)[C@@H]1C ZINC000930752945 664777717 /nfs/dbraw/zinc/77/77/17/664777717.db2.gz XWBOBYHXYHOYSA-YPMHNXCESA-N 1 0 386.290 2.688 20 0 GFADRO Cc1nccc(NC(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)c1Br ZINC000931016796 664782900 /nfs/dbraw/zinc/78/29/00/664782900.db2.gz IBHUZYMEFIVIIK-CQSZACIVSA-N 1 0 381.318 2.770 20 0 GFADRO O[C@H](CN1CCC([N@@H+]2CCCOCC2)CC1)c1cccc(Br)c1 ZINC000931291029 664790750 /nfs/dbraw/zinc/79/07/50/664790750.db2.gz LNXBBQVNQPGUBG-GOSISDBHSA-N 1 0 383.330 2.669 20 0 GFADRO Cn1cc(C2=NC[C@H](C[NH2+][C@@H](CCO)c3cc(Cl)cc(Cl)c3)O2)cn1 ZINC000931331547 664792105 /nfs/dbraw/zinc/79/21/05/664792105.db2.gz SFEZAIPZEGUZNC-HOTGVXAUSA-N 1 0 383.279 2.586 20 0 GFADRO C[N@@H+]1C[C@H]2CCN(C(=O)Nc3ccc4nccnc4c3Br)[C@H]2C1 ZINC000931390402 664793510 /nfs/dbraw/zinc/79/35/10/664793510.db2.gz VCDLXLOBRHENFG-MFKMUULPSA-N 1 0 376.258 2.560 20 0 GFADRO O=C(CCN1CC[NH+](CCCCCO)CC1)Nc1ccccc1Br ZINC000931496115 664796424 /nfs/dbraw/zinc/79/64/24/664796424.db2.gz HIDMSTYMQXNDSS-UHFFFAOYSA-N 1 0 398.345 2.558 20 0 GFADRO COC1(OC)CCOC[C@H]1[NH2+]Cc1cc(Br)cc2cccnc21 ZINC000931672137 664802382 /nfs/dbraw/zinc/80/23/82/664802382.db2.gz UJXWOEJVJUPCKT-OAHLLOKOSA-N 1 0 381.270 2.865 20 0 GFADRO NC(=O)c1ccsc1NC(=O)CC[N@@H+]1CC[C@]2(CC(F)(F)C2(F)F)C1 ZINC000931913066 664807206 /nfs/dbraw/zinc/80/72/06/664807206.db2.gz GBLQWTYTLSVLLB-ZDUSSCGKSA-N 1 0 379.379 2.542 20 0 GFADRO C[N@@H+]1C[C@@H]2CCN(C(=O)Nc3ccc(I)cc3F)[C@@H]2C1 ZINC000931913780 664807224 /nfs/dbraw/zinc/80/72/24/664807224.db2.gz HLAWWUMGOWBMGG-TVQRCGJNSA-N 1 0 389.212 2.598 20 0 GFADRO O=C(NCC[NH+]1CCC(O)CC1)Nc1ccc(OC(F)(F)F)cc1Cl ZINC000931976513 664808309 /nfs/dbraw/zinc/80/83/09/664808309.db2.gz VYCPPDJBXRBDNR-UHFFFAOYSA-N 1 0 381.782 2.817 20 0 GFADRO C[C@]1([C@@H]2CCC[N@H+](C[C@H](O)c3ccccc3Br)C2)COC(=O)N1 ZINC000932021767 664809109 /nfs/dbraw/zinc/80/91/09/664809109.db2.gz OMJTUWKLRNJQHD-ISTRZQFTSA-N 1 0 383.286 2.693 20 0 GFADRO CC(C)(C)[NH2+]CCC(=O)Nc1cc(C(F)(F)F)ccc1NS(C)(=O)=O ZINC000932061392 664809547 /nfs/dbraw/zinc/80/95/47/664809547.db2.gz QCYDKIGEYZCQRM-UHFFFAOYSA-N 1 0 381.420 2.794 20 0 GFADRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)Nc1nnc(C(F)(F)C(F)(F)F)s1 ZINC000932089164 664809909 /nfs/dbraw/zinc/80/99/09/664809909.db2.gz BJKUEGQNYZHCLG-XPUUQOCRSA-N 1 0 385.362 2.796 20 0 GFADRO CCNC(=O)c1cc(NC(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@H]23)c(C)s1 ZINC000932187236 664812543 /nfs/dbraw/zinc/81/25/43/664812543.db2.gz JGLVCGJVGHIWLY-TZMCWYRMSA-N 1 0 382.555 2.508 20 0 GFADRO NC(=O)c1ccsc1NC(=O)CC[N@@H+]1CCC[C@H](Cc2nccs2)C1 ZINC000932196576 664813101 /nfs/dbraw/zinc/81/31/01/664813101.db2.gz LLZZHURPSDIUPU-GFCCVEGCSA-N 1 0 378.523 2.587 20 0 GFADRO CC[NH+]1CCC(NC(=O)CN2CCC[C@@H]2c2cncc(Br)c2)CC1 ZINC000932251991 664816221 /nfs/dbraw/zinc/81/62/21/664816221.db2.gz GVXJCQZROCNCFC-QGZVFWFLSA-N 1 0 395.345 2.582 20 0 GFADRO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)c1cc(Br)c2nccnc2c1 ZINC000932297822 664818619 /nfs/dbraw/zinc/81/86/19/664818619.db2.gz CJRGMGCLZCEOQP-CYBMUJFWSA-N 1 0 375.270 2.606 20 0 GFADRO CCN(CCC[N@@H+]1CC[C@@H](c2ncc(C(=O)OC)s2)C1)CC(F)(F)F ZINC000932668195 664831161 /nfs/dbraw/zinc/83/11/61/664831161.db2.gz RJACPTCMXSXENB-GFCCVEGCSA-N 1 0 379.448 2.993 20 0 GFADRO CC(C)[C@@H](C[NH+](C)C)NC(=O)C[C@H]1C(=O)Nc2ccc(Br)cc21 ZINC000932712437 664832467 /nfs/dbraw/zinc/83/24/67/664832467.db2.gz IYQNYRAUAQUCCE-UKRRQHHQSA-N 1 0 382.302 2.577 20 0 GFADRO O=C1NCCC2(CC[NH+](C[C@H](O)COc3cc(Cl)cc(Cl)c3)CC2)O1 ZINC000932758359 664834774 /nfs/dbraw/zinc/83/47/74/664834774.db2.gz WIGQRKPFQUTGLV-AWEZNQCLSA-N 1 0 389.279 2.698 20 0 GFADRO Cc1ccc(NC(=O)c2cc(=O)n(C)cc2Br)c(C[NH+](C)C)c1 ZINC000932809281 664839582 /nfs/dbraw/zinc/83/95/82/664839582.db2.gz URVOLSBSKFMKDA-UHFFFAOYSA-N 1 0 378.270 2.770 20 0 GFADRO O[C@@]1(c2ccc(Br)cc2)CCC[N@H+](C[C@H]2CCC3(COC3)O2)C1 ZINC000932813673 664839700 /nfs/dbraw/zinc/83/97/00/664839700.db2.gz CAIYYHURISXWSQ-AEFFLSMTSA-N 1 0 382.298 2.681 20 0 GFADRO O=C(CC[NH+]1CCC(CO)(C(F)(F)F)CC1)NCc1ccccc1Cl ZINC000932825246 664840861 /nfs/dbraw/zinc/84/08/61/664840861.db2.gz MDDMPMFNLPCXAC-UHFFFAOYSA-N 1 0 378.822 2.983 20 0 GFADRO O=C1NC[C@@H](O)CC12CC[NH+](Cc1cccc(Br)c1Cl)CC2 ZINC000932831827 664841291 /nfs/dbraw/zinc/84/12/91/664841291.db2.gz UXPHONBUDDCHEG-LBPRGKRZSA-N 1 0 387.705 2.566 20 0 GFADRO CC[C@@H](c1ccc(Br)cc1)[NH+]1CCC2(CC1)C[C@H](O)CNC2=O ZINC000932841080 664841427 /nfs/dbraw/zinc/84/14/27/664841427.db2.gz VAFQOGFDILKLJL-HOTGVXAUSA-N 1 0 381.314 2.863 20 0 GFADRO O[C@H](COc1ccc(Cl)c(Cl)c1)C[NH+]1CCC2(CC1)C[C@H](O)CCO2 ZINC000933067998 664849223 /nfs/dbraw/zinc/84/92/23/664849223.db2.gz YKRZJROXPAOVFW-KGLIPLIRSA-N 1 0 390.307 2.739 20 0 GFADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)Nc1c(F)ccc(Br)c1F ZINC000933286423 664854303 /nfs/dbraw/zinc/85/43/03/664854303.db2.gz BLCBTOHCTPCXKI-ZJUUUORDSA-N 1 0 390.228 2.712 20 0 GFADRO C[C@@H]1C[C@@H](N(C)C(=O)C[C@H]2C(=O)Nc3c2cccc3Br)CC[N@@H+]1C ZINC000933440370 664864427 /nfs/dbraw/zinc/86/44/27/664864427.db2.gz DAELYNVFOWJWPB-MBNYWOFBSA-N 1 0 394.313 2.816 20 0 GFADRO CO[C@@H]1CCOC[C@H]1[NH2+]C[C@](C)(O)c1ccc(Br)cc1Cl ZINC000934036053 664888419 /nfs/dbraw/zinc/88/84/19/664888419.db2.gz YRPOPYKGTGAOJT-KFWWJZLASA-N 1 0 378.694 2.704 20 0 GFADRO COc1cc(Br)ccc1CCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2CCO ZINC000934263711 664895372 /nfs/dbraw/zinc/89/53/72/664895372.db2.gz DGFGVKVWTSIOAW-ROUUACIJSA-N 1 0 397.357 2.921 20 0 GFADRO Cc1c(Br)cncc1NC(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000934271845 664896937 /nfs/dbraw/zinc/89/69/37/664896937.db2.gz IAVVWYRUAIGMRA-ZDUSSCGKSA-N 1 0 383.290 2.527 20 0 GFADRO O=S(=O)(CC[NH2+][C@H]1CCOC12CCCC2)c1ccc(Br)cc1 ZINC000934399189 664905528 /nfs/dbraw/zinc/90/55/28/664905528.db2.gz HHZDMHQOZWBVGA-HNNXBMFYSA-N 1 0 388.327 2.914 20 0 GFADRO O=C1Nc2ccc(Br)cc2CC[C@@H]1[NH2+][C@H]1CCOC12CCOCC2 ZINC000934401933 664905556 /nfs/dbraw/zinc/90/55/56/664905556.db2.gz LQKKJTHEPTWMQD-HOTGVXAUSA-N 1 0 395.297 2.630 20 0 GFADRO COc1ccc(C[NH2+][C@H]2CCOC23CCOCC3)c(Br)c1OC ZINC000934408271 664905929 /nfs/dbraw/zinc/90/59/29/664905929.db2.gz OBVQZYKQDOYFJD-AWEZNQCLSA-N 1 0 386.286 2.894 20 0 GFADRO COC1(CC[NH2+][C@H](CO)c2ccccc2I)CCC1 ZINC000934826227 664924295 /nfs/dbraw/zinc/92/42/95/664924295.db2.gz ABTNVGCNTRIEHE-CQSZACIVSA-N 1 0 375.250 2.873 20 0 GFADRO NC(=O)CC1([NH2+]CC(=O)Nc2ccc(Br)cc2F)CCCCC1 ZINC000934823343 664923956 /nfs/dbraw/zinc/92/39/56/664923956.db2.gz JDYHHFGRARVRJQ-UHFFFAOYSA-N 1 0 386.265 2.695 20 0 GFADRO COCCSCCC[NH2+][C@H](CO)c1ccccc1I ZINC000934826261 664924252 /nfs/dbraw/zinc/92/42/52/664924252.db2.gz ATHLBODSEQBJQF-CQSZACIVSA-N 1 0 395.306 2.684 20 0 GFADRO Cn1ncc(I)c1C[N@@H+]1CCCC[C@@H]([C@H]2CCOC2)C1 ZINC000934830912 664926474 /nfs/dbraw/zinc/92/64/74/664926474.db2.gz HDFMDOLZCHGTSZ-OLZOCXBDSA-N 1 0 389.281 2.663 20 0 GFADRO C[C@@H](NC(=O)c1cc(=O)n(C)cc1Br)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000935314328 664953146 /nfs/dbraw/zinc/95/31/46/664953146.db2.gz CYQUOGXFKGAGBS-CHWSQXEVSA-N 1 0 396.329 2.531 20 0 GFADRO CC[N@H+](CCNC(=O)c1cc(=O)[nH]cc1Br)CCC(F)(F)F ZINC000935639423 664975389 /nfs/dbraw/zinc/97/53/89/664975389.db2.gz NAVCYJWWYSXVTA-UHFFFAOYSA-N 1 0 384.196 2.554 20 0 GFADRO COc1ccc(Br)c(CN(C)C(=O)COC2CC[NH+](C)CC2)c1 ZINC000935643472 664975797 /nfs/dbraw/zinc/97/57/97/664975797.db2.gz OKPJLXLQFLHTEU-UHFFFAOYSA-N 1 0 385.302 2.527 20 0 GFADRO C[C@@H]1C[N@H+](CCCNC(=O)c2cc(Br)cnc2C2CC2)CCCO1 ZINC000935653454 664978642 /nfs/dbraw/zinc/97/86/42/664978642.db2.gz BVJHNXSXKRBTQK-CYBMUJFWSA-N 1 0 396.329 2.952 20 0 GFADRO C[NH+](C)CC1(NC(=O)c2cc(Br)cnc2Br)CCC1 ZINC000935799057 664989714 /nfs/dbraw/zinc/98/97/14/664989714.db2.gz FHBWMWOILQOVDY-UHFFFAOYSA-N 1 0 391.107 2.821 20 0 GFADRO Cc1cc(C(=O)NOC2CC[NH+](C)CC2)nn1-c1ccccc1Br ZINC000935842580 664992354 /nfs/dbraw/zinc/99/23/54/664992354.db2.gz WAYAUBJPSXCFLO-UHFFFAOYSA-N 1 0 393.285 2.699 20 0 GFADRO Cc1c(Br)ccc(F)c1C(=O)N1C[C@H](N2CCOCC2)C[C@H]1C ZINC000935930451 664999263 /nfs/dbraw/zinc/99/92/63/664999263.db2.gz AHYIBOLQFMYVIP-DGCLKSJQSA-N 1 0 385.277 2.832 20 0 GFADRO O=C([C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)N1CC[C@H]2C[N@H+](CC=C(Cl)Cl)C[C@H]2CC1 ZINC000946688654 665009034 /nfs/dbraw/zinc/00/90/34/665009034.db2.gz XQCJDBMIUCSIFO-BCHHIPDFSA-N 1 0 385.335 2.899 20 0 GFADRO C[C@@H]1CCC[N@@H+]1CC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(Cl)cs1)C2 ZINC000996388443 665030907 /nfs/dbraw/zinc/03/09/07/665030907.db2.gz RSJWWXYPLBQIDU-RZFFKMDDSA-N 1 0 381.929 2.748 20 0 GFADRO C[C@@H]1CC[N@H+](CC(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ccsc2Cl)C3)C1 ZINC000996389071 665031143 /nfs/dbraw/zinc/03/11/43/665031143.db2.gz GWZUKMWIOAMNNJ-UXOAXIEHSA-N 1 0 381.929 2.605 20 0 GFADRO C[NH+](C)C1(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2csc(Cl)c2)C3)CCC1 ZINC001002614111 665055456 /nfs/dbraw/zinc/05/54/56/665055456.db2.gz GQQCKJOKXKPGNP-MCIONIFRSA-N 1 0 381.929 2.748 20 0 GFADRO C[N@H+](CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cscc1Cl)C2)C1CCC1 ZINC001003449531 665060907 /nfs/dbraw/zinc/06/09/07/665060907.db2.gz UCNNORWIKMCCDV-WQVCFCJDSA-N 1 0 381.929 2.748 20 0 GFADRO C[C@H]1CCC[N@@H+]1CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cscc1Cl)C2 ZINC001003449543 665061045 /nfs/dbraw/zinc/06/10/45/665061045.db2.gz UHNZAJCIABMGLX-OJDYBEQGSA-N 1 0 381.929 2.748 20 0 GFADRO C[N@@H+](Cc1cnc(Cl)s1)C[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC001029785675 665074972 /nfs/dbraw/zinc/07/49/72/665074972.db2.gz BHPYUKYUKNQPKT-JWTRZGPZSA-N 1 0 381.929 2.500 20 0 GFADRO CC[NH+](CC)CCCNc1cnn(CC(F)(F)F)c(=O)c1Br ZINC000388583642 677408020 /nfs/dbraw/zinc/40/80/20/677408020.db2.gz RAIOGTXJJATTHW-UHFFFAOYSA-N 1 0 385.228 2.712 20 0 GFADRO Cn1cc(Br)c(C[NH2+][C@@H]2CCC[C@H]2CNC(=O)OC(C)(C)C)n1 ZINC000393338534 677410460 /nfs/dbraw/zinc/41/04/60/677410460.db2.gz PAECNRTVRNCJCI-WCQYABFASA-N 1 0 387.322 2.966 20 0 GFADRO C[C@H]1C[C@H](N(C)C(=O)C(=O)Nc2nc(-c3cccs3)cs2)CC[N@@H+]1C ZINC000120481755 677396450 /nfs/dbraw/zinc/39/64/50/677396450.db2.gz WIQORMQPTAWLPH-NWDGAFQWSA-N 1 0 378.523 2.751 20 0 GFADRO CCS(=O)(=O)CC[NH2+][C@H](C)C[C@@H]1CCCCCN1C(=O)OC(C)(C)C ZINC000160495375 677404199 /nfs/dbraw/zinc/40/41/99/677404199.db2.gz MTTNHSICIZXBTR-CVEARBPZSA-N 1 0 376.563 2.969 20 0 GFADRO Cc1nc(Cl)ccc1S(=O)(=O)N[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000398118494 677411843 /nfs/dbraw/zinc/41/18/43/677411843.db2.gz ABSHHEKKSLXNDW-CZUORRHYSA-N 1 0 379.913 2.985 20 0 GFADRO O=S1(=O)CCC([NH2+]Cc2ccc(I)cc2Cl)CC1 ZINC000463252847 677412828 /nfs/dbraw/zinc/41/28/28/677412828.db2.gz WHIPFROKUGEBSK-UHFFFAOYSA-N 1 0 399.681 2.611 20 0 GFADRO CO[C@@H]1C[C@@H]([N@H+](C)Cc2cc(=O)n3cc(Br)ccc3n2)C12CCC2 ZINC000579556053 677673390 /nfs/dbraw/zinc/67/33/90/677673390.db2.gz GVEHGUDHDIRABY-HUUCEWRRSA-N 1 0 392.297 2.846 20 0 GFADRO CC[C@@H]1C[N@H+](C)CCN1Cc1csc(-c2ccc(S(C)(=O)=O)cc2)n1 ZINC000579579101 677673428 /nfs/dbraw/zinc/67/34/28/677673428.db2.gz HXSLQLWCKOMNEQ-MRXNPFEDSA-N 1 0 379.551 2.740 20 0 GFADRO COC(=O)CC[N@@H+]1CCN(Cc2ccc(OC)cc2Br)[C@H](C)C1 ZINC000580127692 677673701 /nfs/dbraw/zinc/67/37/01/677673701.db2.gz XGECFOUHCJCNIN-CYBMUJFWSA-N 1 0 385.302 2.527 20 0 GFADRO Cn1ccnc1[C@H]([NH2+]C[C@H](O)COc1cccc(Br)c1)C1CC1 ZINC000580316558 677674137 /nfs/dbraw/zinc/67/41/37/677674137.db2.gz LRHIDBFNULPNHJ-GOEBONIOSA-N 1 0 380.286 2.663 20 0 GFADRO Clc1ccc(Oc2nc(Cl)ncc2N2CCN3CC[NH2+]C[C@H]3C2)cc1 ZINC001164399780 718843453 /nfs/dbraw/zinc/84/34/53/718843453.db2.gz GIAKWDMHNJLIFA-ZDUSSCGKSA-N 1 0 380.279 2.670 20 0 GFADRO C[C@@H]1CCc2c(sc3nc(CN4CCCC4)nc(N4C[C@H]5C[C@@]5([NH3+])C4)c23)C1 ZINC001164422045 718888396 /nfs/dbraw/zinc/88/83/96/718888396.db2.gz ZKXDDPDUNJRRCJ-ZMOMAAQPSA-N 1 0 383.565 2.949 20 0 GFADRO CN(C)c1cc(C(F)(F)N2C[C@@H]3[NH2+]Cc4ccccc4[C@@H]3C2)nc(Cl)n1 ZINC001164429421 718946886 /nfs/dbraw/zinc/94/68/86/718946886.db2.gz PDYLJDHVDFAFOT-KBPBESRZSA-N 1 0 379.842 2.817 20 0 GFADRO COC(=O)c1cc(Cl)ncc1C(F)(F)N1C[C@@H](CF)[C@H](C2([NH3+])CC2)C1 ZINC001164625114 719118341 /nfs/dbraw/zinc/11/83/41/719118341.db2.gz GQCAZTUQZZBUNZ-BXKDBHETSA-N 1 0 377.794 2.580 20 0 GFADRO C[C@@H]1C[N@H+](C)[C@H](C)CN1c1ncc2cc(C(=O)N(C)C)n(C3CCCC3)c2n1 ZINC001164637358 719200674 /nfs/dbraw/zinc/20/06/74/719200674.db2.gz OCMODMUXKAVNCG-HUUCEWRRSA-N 1 0 384.528 2.777 20 0 GFADRO CC(C)N(C)Cc1nn(-c2ncnc3[nH]c4ccccc4c32)c2c1CC[NH2+]C2 ZINC001164683376 719624975 /nfs/dbraw/zinc/62/49/75/719624975.db2.gz SEJRRLPSCQCTHR-UHFFFAOYSA-N 1 0 375.480 2.783 20 0 GFADRO CC(C)N(C)Cc1nn(-c2nc(C3CCC3)nc3[nH]ccc32)c2c1CC[NH2+]C2 ZINC001164680217 719653918 /nfs/dbraw/zinc/65/39/18/719653918.db2.gz DIBQSOXGBDMTRE-UHFFFAOYSA-N 1 0 379.512 2.897 20 0 GFADRO CNC(=O)C[N@@H+]1CCCC12CCN(C(F)(F)c1ccnc(Cl)c1F)CC2 ZINC001164682594 719701551 /nfs/dbraw/zinc/70/15/51/719701551.db2.gz GHKLZEQAHDAURB-UHFFFAOYSA-N 1 0 390.837 2.600 20 0 GFADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1cc(F)cc3ncnc(Cl)c31)CC2 ZINC001164687611 719735099 /nfs/dbraw/zinc/73/50/99/719735099.db2.gz ZSGSFWJIDCHKEL-UHFFFAOYSA-N 1 0 391.878 2.603 20 0 GFADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1nc(C(F)F)nc3ccccc31)CC2 ZINC001164689813 719743813 /nfs/dbraw/zinc/74/38/13/719743813.db2.gz KCLDROMYRDIULD-UHFFFAOYSA-N 1 0 389.450 2.748 20 0 GFADRO COc1nc(Cl)nc(N2CCC3(CCC[N@@H+]3Cc3csc(C)n3)CC2)n1 ZINC001164693668 719806362 /nfs/dbraw/zinc/80/63/62/719806362.db2.gz QVRFTIBCBRYPRA-UHFFFAOYSA-N 1 0 394.932 2.934 20 0 GFADRO CCOC(=O)c1ccc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COC)nc1C ZINC001164815356 720069015 /nfs/dbraw/zinc/06/90/15/720069015.db2.gz YOIPPTIYLPUOJX-XMSQKQJNSA-N 1 0 387.524 2.751 20 0 GFADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncc(C)nc1C)CC2 ZINC001164710030 720096982 /nfs/dbraw/zinc/09/69/82/720096982.db2.gz FVFQWKLTZBTBGG-FQEVSTJZSA-N 1 0 381.524 2.996 20 0 GFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(Cl)nc3c1ccn3C)C2 ZINC001164809250 720097627 /nfs/dbraw/zinc/09/76/27/720097627.db2.gz IZLXMZASDGHTHV-YWZLYKJASA-N 1 0 389.931 2.806 20 0 GFADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cccc(OC)n1)CC2 ZINC001164711641 720102266 /nfs/dbraw/zinc/10/22/66/720102266.db2.gz RWADEYVFPOXLSU-IBGZPJMESA-N 1 0 382.508 2.993 20 0 GFADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncnc(OC)c1C)CC2 ZINC001164718563 720114847 /nfs/dbraw/zinc/11/48/47/720114847.db2.gz SJIVESARRMOTIG-LJQANCHMSA-N 1 0 397.523 2.696 20 0 GFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1cnnc(Cl)c1)C2 ZINC001164811604 720117296 /nfs/dbraw/zinc/11/72/96/720117296.db2.gz MUDJDACWBQMYIE-WBVHZDCISA-N 1 0 386.874 2.860 20 0 GFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ncc3cc(OC)ccc3n1)C2 ZINC001164811600 720122711 /nfs/dbraw/zinc/12/27/11/720122711.db2.gz MUCPTFXOPCTABZ-XMSQKQJNSA-N 1 0 382.508 2.823 20 0 GFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ccc(-c3ccccn3)nn1)C2 ZINC001164819854 720181006 /nfs/dbraw/zinc/18/10/06/720181006.db2.gz YRBLVLKSDFXMQC-AVRDEDQJSA-N 1 0 379.508 2.723 20 0 GFADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1ccc3c(n1)CCCC3)CCC2 ZINC001164813559 720220244 /nfs/dbraw/zinc/22/02/44/720220244.db2.gz PFTTYYRGGLUXMJ-UHFFFAOYSA-N 1 0 381.524 2.768 20 0 GFADRO Cc1cc(Cl)cc(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164827787 720293469 /nfs/dbraw/zinc/29/34/69/720293469.db2.gz YBFHQVMWKZLARS-ZWKOTPCHSA-N 1 0 376.932 2.955 20 0 GFADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2nnc(Cl)cc2Cl)CC1 ZINC001164819283 720295879 /nfs/dbraw/zinc/29/58/79/720295879.db2.gz DIPMSCFTYRSNKM-HUUCEWRRSA-N 1 0 398.338 2.695 20 0 GFADRO Cc1ccc2ncnc(N3CC[C@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)c2c1 ZINC001164819639 720305357 /nfs/dbraw/zinc/30/53/57/720305357.db2.gz FKIHQAUMXYQPRM-SFTDATJTSA-N 1 0 393.535 2.850 20 0 GFADRO COc1cc(Cl)cc(N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164823169 720315619 /nfs/dbraw/zinc/31/56/19/720315619.db2.gz PCCFFZKNAWQLNY-SJORKVTESA-N 1 0 392.931 2.655 20 0 GFADRO CN(C)C(=O)COC[C@@H]1CC[C@@H]2[C@H](CC[N@@H+]2C(C)(C)c2ccnc(Cl)c2)O1 ZINC001164724930 720325204 /nfs/dbraw/zinc/32/52/04/720325204.db2.gz LTLDHTVJNVQXOV-BBWFWOEESA-N 1 0 395.931 2.697 20 0 GFADRO CC(C)Cc1cc(N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)ncn1 ZINC001164827876 720342612 /nfs/dbraw/zinc/34/26/12/720342612.db2.gz NAAWTBFMJQWUFG-PMACEKPBSA-N 1 0 385.556 2.587 20 0 GFADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2ccc(-c3ccco3)nn2)CC1 ZINC001164821696 720343873 /nfs/dbraw/zinc/34/38/73/720343873.db2.gz BJLIGPCYRGSQRP-OALUTQOASA-N 1 0 395.507 2.648 20 0 GFADRO Cc1cc2ccncc2nc1N1CC[C@H]2[C@@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164821674 720348129 /nfs/dbraw/zinc/34/81/29/720348129.db2.gz BFZSGLRAKJQURR-SFTDATJTSA-N 1 0 393.535 2.850 20 0 GFADRO COc1ccnc(Cl)c1N1CC[C@H]2[C@@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164822215 720348680 /nfs/dbraw/zinc/34/86/80/720348680.db2.gz CLXXCSQOCSKNLH-HOTGVXAUSA-N 1 0 392.931 2.655 20 0 GFADRO CCOC(=O)c1cnc(N2CC[C@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)cc1OCC ZINC001164731452 720380065 /nfs/dbraw/zinc/38/00/65/720380065.db2.gz ZUYHBKXGSMHNFW-OALUTQOASA-N 1 0 396.491 2.905 20 0 GFADRO O=C(c1ccnc(N2CC[C@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)c1)N1CCCC1 ZINC001164727618 720412853 /nfs/dbraw/zinc/41/28/53/720412853.db2.gz DSSMCGGUYLRBFR-VQTJNVASSA-N 1 0 377.492 2.566 20 0 GFADRO C[NH+](C)C[C@H]1Cn2ccnc2CN(C(F)(F)c2cc(Cl)nc(Cl)n2)C1 ZINC001164732227 720506851 /nfs/dbraw/zinc/50/68/51/720506851.db2.gz TXZADMRJKXOMPS-JTQLQIEISA-N 1 0 391.253 2.723 20 0 GFADRO C[NH+](C)C[C@H]1Cn2ccnc2CN(C(F)(F)c2cc(C3CC3)nnc2Cl)C1 ZINC001164732906 720526017 /nfs/dbraw/zinc/52/60/17/720526017.db2.gz HHAGOSIJLGQJHL-LBPRGKRZSA-N 1 0 396.873 2.947 20 0 GFADRO C[NH+](C)C[C@H]1Cn2ccnc2CN(c2ccc(-c3c(F)cccc3F)nn2)C1 ZINC001164733843 720527409 /nfs/dbraw/zinc/52/74/09/720527409.db2.gz LWLKYPAYZVPYQE-AWEZNQCLSA-N 1 0 384.434 2.816 20 0 GFADRO Cc1nc(C)c(-c2ccc(N3Cc4nccn4C[C@H](C[NH+](C)C)C3)nn2)s1 ZINC001164734245 720530583 /nfs/dbraw/zinc/53/05/83/720530583.db2.gz OZAWWKRKWKUAKX-HNNXBMFYSA-N 1 0 383.525 2.611 20 0 GFADRO Cc1cc(-c2cccc(F)c2)nnc1N1Cc2nccn2C[C@@H](C[NH+](C)C)C1 ZINC001164736246 720532223 /nfs/dbraw/zinc/53/22/23/720532223.db2.gz WOWIRMDSOLRLIJ-MRXNPFEDSA-N 1 0 380.471 2.986 20 0 GFADRO Cc1cc(Cl)nc(C(F)(F)N2CCc3ncc(C[NH+]4CCCC4)n3CC2)n1 ZINC001164733020 720551333 /nfs/dbraw/zinc/55/13/33/720551333.db2.gz IAPKXHNWFNEIEV-UHFFFAOYSA-N 1 0 396.873 2.838 20 0 GFADRO Cc1nc2c(c(N3CC[C@@H]4[C@@H](C[C@H](Cn5cccn5)[N@H+]4C(C)C)C3)n1)CCC2 ZINC001164838827 720584150 /nfs/dbraw/zinc/58/41/50/720584150.db2.gz MAUIVUFEOBUOIS-WAOWUJCRSA-N 1 0 380.540 2.848 20 0 GFADRO CC(C)c1cc2c(ncnc2N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)s1 ZINC001164742403 720607171 /nfs/dbraw/zinc/60/71/71/720607171.db2.gz NCGDMSZYQQHBLV-HUUCEWRRSA-N 1 0 396.520 2.947 20 0 GFADRO COC(=O)c1ccnc(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC001164837073 720675434 /nfs/dbraw/zinc/67/54/34/720675434.db2.gz BDNRNORIIKJMIZ-SFHVURJKSA-N 1 0 396.491 2.523 20 0 GFADRO Cc1sc2nc(C)nc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)c2c1C ZINC001164739334 720691859 /nfs/dbraw/zinc/69/18/59/720691859.db2.gz NCSWXSYCCBVRTB-CVEARBPZSA-N 1 0 396.520 2.748 20 0 GFADRO C[NH+]1CCN(c2cccc(N3CC[C@@H]4[C@@H]3CCC(=O)N4c3ccccc3)n2)CC1 ZINC001164844519 720765359 /nfs/dbraw/zinc/76/53/59/720765359.db2.gz CFPPHSFMOPVLFJ-VQTJNVASSA-N 1 0 391.519 2.608 20 0 GFADRO c1cc2c(ncnc2N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)s1 ZINC001164744932 720809259 /nfs/dbraw/zinc/80/92/59/720809259.db2.gz JVNIJLMSTMNUOV-SOLBZPMBSA-N 1 0 395.536 2.662 20 0 GFADRO COCC[N@@H+]1CCO[C@H]2CN(C(F)(F)c3cc(C)nc(Cl)c3)CC[C@H]2C1 ZINC001164858296 720834791 /nfs/dbraw/zinc/83/47/91/720834791.db2.gz ZOWJIOLUWQICCB-HOCLYGCPSA-N 1 0 389.874 2.762 20 0 GFADRO CC(C)(C)c1cc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)ncn1 ZINC001164746585 720847029 /nfs/dbraw/zinc/84/70/29/720847029.db2.gz OXZMLWMIFCZFNA-IPMKNSEASA-N 1 0 395.555 2.745 20 0 GFADRO COCC[N@@H+]1CCO[C@H]2CN(c3nc(Cl)nc4c(C)cccc43)CC[C@H]2C1 ZINC001164850108 720847498 /nfs/dbraw/zinc/84/74/98/720847498.db2.gz DFJRXZLIJLEFCB-RDJZCZTQSA-N 1 0 390.915 2.765 20 0 GFADRO CSCc1ccc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc1 ZINC001164745982 720852645 /nfs/dbraw/zinc/85/26/45/720852645.db2.gz FBPLMNVOFJRUEJ-VAMGGRTRSA-N 1 0 398.580 2.916 20 0 GFADRO COCC[N@@H+]1CCO[C@H]2CN(c3nc(C)nc4sc(C)c(C)c43)CC[C@@H]2C1 ZINC001164852738 720853549 /nfs/dbraw/zinc/85/35/49/720853549.db2.gz FOWNHNVWANSSKZ-SJORKVTESA-N 1 0 390.553 2.790 20 0 GFADRO c1cnc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc1 ZINC001164747218 720867686 /nfs/dbraw/zinc/86/76/86/720867686.db2.gz AOAFMFJDWVBFAD-UNMCSNQZSA-N 1 0 379.508 2.627 20 0 GFADRO COCC[N@@H+]1CCO[C@@H]2CN(c3cc(Cl)nc4[nH]cc(C)c43)CC[C@H]2C1 ZINC001164857491 720872467 /nfs/dbraw/zinc/87/24/67/720872467.db2.gz JTVCWSDUDAJSPB-GOEBONIOSA-N 1 0 378.904 2.698 20 0 GFADRO COCC[N@@H+]1CCO[C@@H]2CN(c3ccc(-c4ccc(C)cc4)nn3)CC[C@@H]2C1 ZINC001164853809 720873325 /nfs/dbraw/zinc/87/33/25/720873325.db2.gz CVKPXCPKCXNBIB-TZIWHRDSSA-N 1 0 382.508 2.626 20 0 GFADRO COCC[N@@H+]1CCO[C@@H]2CN(c3nc(C(F)F)nc4ccccc43)CC[C@H]2C1 ZINC001164862305 720880580 /nfs/dbraw/zinc/88/05/80/720880580.db2.gz RNJHRNOKKQCAAR-WMLDXEAASA-N 1 0 392.450 2.741 20 0 GFADRO COC(=O)c1cc(F)cnc1N1CCn2c(C[N@H+](C)C(C)C)cnc2[C@@H]1C ZINC001164863728 720928179 /nfs/dbraw/zinc/92/81/79/720928179.db2.gz YSYUOHNBQOJDEQ-ZDUSSCGKSA-N 1 0 375.448 2.625 20 0 GFADRO COCc1cc(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@@H]2C)nc(SC)n1 ZINC001164861894 720957783 /nfs/dbraw/zinc/95/77/83/720957783.db2.gz UTVJAPTZZHEKQF-AWEZNQCLSA-N 1 0 390.557 2.963 20 0 GFADRO CCOC(=O)Cc1ccc(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@@H]2C)nc1 ZINC001164859219 720962574 /nfs/dbraw/zinc/96/25/74/720962574.db2.gz LKNPNBLRDGLKKW-INIZCTEOSA-N 1 0 385.512 2.805 20 0 GFADRO FC(F)(c1cnc(Cl)cn1)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164867763 721054395 /nfs/dbraw/zinc/05/43/95/721054395.db2.gz KGAVNCIOQBUTPV-GJZGRUSLSA-N 1 0 395.841 2.550 20 0 GFADRO Clc1ccc2c(ncnc2N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164868768 721060321 /nfs/dbraw/zinc/06/03/21/721060321.db2.gz QHVYASYNQAZCCY-CVEARBPZSA-N 1 0 396.882 2.553 20 0 GFADRO Cc1nc2ccc(F)cc2c(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164867539 721066942 /nfs/dbraw/zinc/06/69/42/721066942.db2.gz JODVOBYOJHTXMY-OALUTQOASA-N 1 0 393.466 2.952 20 0 GFADRO Fc1ccc2ncc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)nc2c1 ZINC001164862873 721079622 /nfs/dbraw/zinc/07/96/22/721079622.db2.gz BLEVICPAIYXVGL-ROUUACIJSA-N 1 0 379.439 2.644 20 0 GFADRO CSc1cc(N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@H]3C2)nc(SC)n1 ZINC001164766605 721241626 /nfs/dbraw/zinc/24/16/26/721241626.db2.gz UZKAPZZGHRWULT-GJZGRUSLSA-N 1 0 390.582 2.612 20 0 GFADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4ncc(Cl)cc4F)C3)O2)CC1 ZINC001164888515 721386204 /nfs/dbraw/zinc/38/62/04/721386204.db2.gz JTHQXQMIWCUJLO-QFBILLFUSA-N 1 0 382.911 2.640 20 0 GFADRO COc1cc(Cl)cnc1N1CC[C@@]2(C1)CCC[C@@H](C[NH+]1CCN(C)CC1)O2 ZINC001164892883 721388476 /nfs/dbraw/zinc/38/84/76/721388476.db2.gz UFQJCBGYXDPLMH-FXAWDEMLSA-N 1 0 394.947 2.509 20 0 GFADRO Cc1ccc2ncnc(N3CC[C@@]4(C3)CCC[C@H](C[NH+]3CCN(C)CC3)O4)c2c1 ZINC001164894520 721396820 /nfs/dbraw/zinc/39/68/20/721396820.db2.gz YPEIYORMJNQONN-AUSIDOKSSA-N 1 0 395.551 2.704 20 0 GFADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4ncc(F)cc4Cl)C3)O2)CC1 ZINC001164885763 721403034 /nfs/dbraw/zinc/40/30/34/721403034.db2.gz HHBIXSBMOWDKIE-APWZRJJASA-N 1 0 382.911 2.640 20 0 GFADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4ncc5cc(F)ccc5n4)C3)O2)CC1 ZINC001164893789 721426279 /nfs/dbraw/zinc/42/62/79/721426279.db2.gz KLETXTOVGBCCQR-SIKLNZKXSA-N 1 0 399.514 2.534 20 0 GFADRO CSc1cccc(N2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)n1 ZINC001164898902 721431904 /nfs/dbraw/zinc/43/19/04/721431904.db2.gz XPYCJIVZWQMOLU-YLJYHZDGSA-N 1 0 376.570 2.569 20 0 GFADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(C)ncc1F)CC2 ZINC001164784512 721454727 /nfs/dbraw/zinc/45/47/27/721454727.db2.gz FUQGVNNZSXIUHK-SFHVURJKSA-N 1 0 392.519 2.658 20 0 GFADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncnc3ccccc32)[C@@H]2CCCO[C@H]12 ZINC001164802544 721530393 /nfs/dbraw/zinc/53/03/93/721530393.db2.gz GYZZERIDCONJKV-NJYVYQBISA-N 1 0 375.476 2.893 20 0 GFADRO COC(=O)c1c(C)cc(C)nc1N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164912321 721531762 /nfs/dbraw/zinc/53/17/62/721531762.db2.gz YVWHAJLIZSYAFC-IEBWSBKVSA-N 1 0 399.466 2.966 20 0 GFADRO Fc1cccc(O[C@H]2C[C@H]3CN(c4nccc(N5CCCCC5)n4)CC[N@@H+]3C2)c1 ZINC001164903386 721543115 /nfs/dbraw/zinc/54/31/15/721543115.db2.gz CHVNIUHJLSPLOI-ICSRJNTNSA-N 1 0 397.498 2.948 20 0 GFADRO Fc1cccc(O[C@@H]2C[C@@H]3CN(c4cc(N5CCCCC5)ncn4)CC[N@@H+]3C2)c1 ZINC001164910212 721552772 /nfs/dbraw/zinc/55/27/72/721552772.db2.gz VWSDSZUGPAJZKI-UYAOXDASSA-N 1 0 397.498 2.948 20 0 GFADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncc(F)c3cc[nH]c32)[C@H]2CCCO[C@H]12 ZINC001164806200 721570579 /nfs/dbraw/zinc/57/05/79/721570579.db2.gz PHRFJGKPJLXDAO-NSHGMRRFSA-N 1 0 381.455 2.965 20 0 GFADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2ncnc3ccc(Cl)cc32)CC1 ZINC001165008749 721732846 /nfs/dbraw/zinc/73/28/46/721732846.db2.gz PJZVYXWJBCBMLE-UHFFFAOYSA-N 1 0 387.915 2.806 20 0 GFADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2cnc(-c3ccccc3)cn2)CC1 ZINC001165010933 721745517 /nfs/dbraw/zinc/74/55/17/721745517.db2.gz QXROVIWLRLZRQH-UHFFFAOYSA-N 1 0 379.508 2.667 20 0 GFADRO CCOC(=O)c1cncnc1N1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165027744 721798817 /nfs/dbraw/zinc/79/88/17/721798817.db2.gz XPMHYKVNAOKJCO-FFZOFVMBSA-N 1 0 395.507 2.785 20 0 GFADRO COc1cnc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)nc1OC ZINC001165028299 721811578 /nfs/dbraw/zinc/81/15/78/721811578.db2.gz XILFWYWYTCZMRD-JQHSSLGASA-N 1 0 383.496 2.626 20 0 GFADRO COc1ccc2nc(Cl)cc(N3CC[C@@H]4[C@@H]3CC[N@@H+]4CCN(C)C)c2n1 ZINC001164925323 721865978 /nfs/dbraw/zinc/86/59/78/721865978.db2.gz NVUZBISHOUNZLJ-CABCVRRESA-N 1 0 375.904 2.506 20 0 GFADRO COc1ccc(Oc2cc(N3CC[C@@H]4[C@H]3CCN4CC[NH+](C)C)nc(C)n2)cc1 ZINC001164935472 721886494 /nfs/dbraw/zinc/88/64/94/721886494.db2.gz WXNYPGKSIUUTNJ-WOJBJXKFSA-N 1 0 397.523 2.801 20 0 GFADRO C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2c1ccnc(CSc2ccccc2)n1 ZINC001164932027 721888034 /nfs/dbraw/zinc/88/80/34/721888034.db2.gz HLPGLDUWIRNWFI-MOPGFXCFSA-N 1 0 383.565 2.984 20 0 GFADRO CCOC(=O)/C=C\c1ccc(N2CC[NH+](CCOc3ccccc3)CC2)nc1 ZINC001165044324 721957890 /nfs/dbraw/zinc/95/78/90/721957890.db2.gz HYAMYAZOQVFWRH-LUAWRHEFSA-N 1 0 381.476 2.859 20 0 GFADRO COC(=O)/C=C\c1cc2cc[nH]c2c(N2CC[NH+](CCc3ccccn3)CC2)n1 ZINC001165056520 722015983 /nfs/dbraw/zinc/01/59/83/722015983.db2.gz UZZQAKPKMHOTEF-WAYWQWQTSA-N 1 0 391.475 2.509 20 0 GFADRO COC(=O)/C=C/c1cc2cc[nH]c2c(N2CC[NH+](CCc3ccccn3)CC2)n1 ZINC001165056519 722016110 /nfs/dbraw/zinc/01/61/10/722016110.db2.gz UZZQAKPKMHOTEF-AATRIKPKSA-N 1 0 391.475 2.509 20 0 GFADRO O=C(c1cscn1)N1CC[C@H]2[C@H]1CCN2c1ncccc1C[NH+]1CCCC1 ZINC001164965704 722065735 /nfs/dbraw/zinc/06/57/35/722065735.db2.gz LMRNNOFBLLKSDL-ZWKOTPCHSA-N 1 0 383.521 2.627 20 0 GFADRO CCc1ncnc(Cl)c1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164983877 722104023 /nfs/dbraw/zinc/10/40/23/722104023.db2.gz QVLDRQALFSGGOZ-WMZOPIPTSA-N 1 0 387.915 2.815 20 0 GFADRO Cc1nc(C)c(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c(Cl)n1 ZINC001164970981 722111404 /nfs/dbraw/zinc/11/14/04/722111404.db2.gz BAMXBDFAMHDYGR-QZTJIDSGSA-N 1 0 387.915 2.869 20 0 GFADRO Fc1ccc2ncc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)nc2c1 ZINC001164983761 722112196 /nfs/dbraw/zinc/11/21/96/722112196.db2.gz ZYGMZVGJTSQBTN-UTKZUKDTSA-N 1 0 393.466 2.891 20 0 GFADRO CCCc1cc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)nc(C)n1 ZINC001164983341 722129567 /nfs/dbraw/zinc/12/95/67/722129567.db2.gz UKADRKMESVOGGE-PZJWPPBQSA-N 1 0 381.524 2.860 20 0 GFADRO FC(F)c1ccnc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164982094 722135919 /nfs/dbraw/zinc/13/59/19/722135919.db2.gz QZQOZVTVRSVGJA-DOTOQJQBSA-N 1 0 375.423 2.537 20 0 GFADRO Cc1ccc2ncnc(N3CCCn4cnc(COCC[NH+](C)C)c4C3)c2c1 ZINC001165000966 722251863 /nfs/dbraw/zinc/25/18/63/722251863.db2.gz XIYPEEQGPIBKIZ-UHFFFAOYSA-N 1 0 380.496 2.623 20 0 GFADRO Cc1nnc(N2CCCn3cnc(COCC[NH+](C)C)c3C2)c2ccccc12 ZINC001165003362 722255963 /nfs/dbraw/zinc/25/59/63/722255963.db2.gz AHGLHRMGLUSKPF-UHFFFAOYSA-N 1 0 380.496 2.623 20 0 GFADRO Cc1cc2ccncc2nc1N1CCCn2cnc(COCC[NH+](C)C)c2C1 ZINC001165003633 722257389 /nfs/dbraw/zinc/25/73/89/722257389.db2.gz FOPRAZWWNTUBGA-UHFFFAOYSA-N 1 0 380.496 2.623 20 0 GFADRO [NH3+][C@@H](C(=O)Nc1cc(-c2cc(F)cc(Br)c2)[nH]n1)C1CCOCC1 ZINC000517233544 532409271 /nfs/dbraw/zinc/40/92/71/532409271.db2.gz UXARQTQONQMKTR-OAHLLOKOSA-N 1 0 397.248 2.671 20 0 GFADRO Brc1cncnc1NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000481682305 532668536 /nfs/dbraw/zinc/66/85/36/532668536.db2.gz ALPQHCRBLZWXIE-UHFFFAOYSA-N 1 0 390.329 2.859 20 0 GFADRO CC(C)[C@H](NC(=O)c1c(F)cccc1F)C(=O)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000063827090 205187689 /nfs/dbraw/zinc/18/76/89/205187689.db2.gz HGJRDYKFSBHOPV-BEFAXECRSA-N 1 0 395.494 2.957 20 0 GFADRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)c1cnn(-c2ccc(Br)cc2)c1 ZINC000072012770 205303594 /nfs/dbraw/zinc/30/35/94/205303594.db2.gz SAGYBMSHCKXAPM-ZDUSSCGKSA-N 1 0 389.297 2.849 20 0 GFADRO Cn1c2nnc(SCC[N@H+](C)Cc3ccccc3)n2c2ccccc2c1=O ZINC000278501566 206185450 /nfs/dbraw/zinc/18/54/50/206185450.db2.gz CVRDQWCZYAZTIQ-UHFFFAOYSA-N 1 0 379.489 2.805 20 0 GFADRO COc1cc(Br)c(F)cc1S(=O)(=O)NCC1([NH3+])CCCCC1 ZINC000440743046 563749061 /nfs/dbraw/zinc/74/90/61/563749061.db2.gz WVMUJZKSJDWZOD-UHFFFAOYSA-N 1 0 395.294 2.537 20 0 GFADRO Cc1cc(S(=O)(=O)NCCC[NH+]2CCCCC2)ccc1Br ZINC000007709766 551101635 /nfs/dbraw/zinc/10/16/35/551101635.db2.gz MECSOHPHEZFRHG-UHFFFAOYSA-N 1 0 375.332 2.912 20 0 GFADRO C[NH+]1CCN(c2ccc(NC(=O)c3ccc(Br)cc3)cn2)CC1 ZINC000020372945 551115509 /nfs/dbraw/zinc/11/55/09/551115509.db2.gz ASTABSVWOJLPOK-UHFFFAOYSA-N 1 0 375.270 2.848 20 0 GFADRO O=S(=O)(NCC[NH+]1CCCCCC1)c1ccc(F)cc1Br ZINC000040446128 551134977 /nfs/dbraw/zinc/13/49/77/551134977.db2.gz RVYKPHCDWQEYNU-UHFFFAOYSA-N 1 0 379.295 2.743 20 0 GFADRO CC(C)(C)[NH+]1CCC(NS(=O)(=O)c2cccc(Br)c2)CC1 ZINC000040446374 551134984 /nfs/dbraw/zinc/13/49/84/551134984.db2.gz BPXQFTRIFMSEPL-UHFFFAOYSA-N 1 0 375.332 2.990 20 0 GFADRO CC(C)[C@H](CNC(=O)CSCc1cccc(Cl)c1)N1CC[NH+](C)CC1 ZINC000042578431 551139718 /nfs/dbraw/zinc/13/97/18/551139718.db2.gz IZVOAHRIAMAOSH-SFHVURJKSA-N 1 0 383.989 2.961 20 0 GFADRO CC(C)[C@@H](CNC(=O)c1cc(Br)ccc1F)[NH+]1CCN(C)CC1 ZINC000042578063 551139754 /nfs/dbraw/zinc/13/97/54/551139754.db2.gz HUURNAVZALGXNI-MRXNPFEDSA-N 1 0 386.309 2.590 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CNC(=O)CCNC(=O)Nc1ccc(Br)cc1 ZINC000044286071 551143668 /nfs/dbraw/zinc/14/36/68/551143668.db2.gz YSBQFQUYQNTWSU-HNNXBMFYSA-N 1 0 397.317 2.561 20 0 GFADRO O=C(NC1CC[NH+](C2CC2)CC1)c1cnn(-c2ccc(Br)cc2)c1 ZINC000045059436 551145719 /nfs/dbraw/zinc/14/57/19/551145719.db2.gz XJBSVTVQWRXYDY-UHFFFAOYSA-N 1 0 389.297 2.991 20 0 GFADRO O=C(c1ccc(I)cc1)N1CCC([NH+]2CCCC2)CC1 ZINC000048551262 551156963 /nfs/dbraw/zinc/15/69/63/551156963.db2.gz AREDHBZXLDYRBQ-UHFFFAOYSA-N 1 0 384.261 2.992 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)NCCC[NH+]1CCCC1 ZINC000049275529 551158649 /nfs/dbraw/zinc/15/86/49/551158649.db2.gz XJPFMAIQPPDTBL-UHFFFAOYSA-N 1 0 382.302 2.607 20 0 GFADRO C[C@H](CNC(=O)[C@@H]1C[C@@H]1c1cccc(Br)c1)C[NH+]1CCN(C)CC1 ZINC000049993506 551160247 /nfs/dbraw/zinc/16/02/47/551160247.db2.gz KXSKRIZTFQVGTD-ZTFGCOKTSA-N 1 0 394.357 2.552 20 0 GFADRO C[NH+]1CCN(c2ccc(NC(=O)Cc3ccc(Br)cc3)nc2)CC1 ZINC000053744431 551167890 /nfs/dbraw/zinc/16/78/90/551167890.db2.gz BDSJPDZBMDXGPG-UHFFFAOYSA-N 1 0 389.297 2.777 20 0 GFADRO C[C@H](Oc1ccc(F)cc1Br)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000055673533 551174450 /nfs/dbraw/zinc/17/44/50/551174450.db2.gz VGUAUIPSVMRFCL-LBPRGKRZSA-N 1 0 385.277 2.910 20 0 GFADRO COCC[N@H+](C)CCCNC(=O)N(C)Cc1csc(Br)c1 ZINC000066334820 551186349 /nfs/dbraw/zinc/18/63/49/551186349.db2.gz MQWYWSXOPMRZQN-UHFFFAOYSA-N 1 0 378.336 2.620 20 0 GFADRO CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccc(Br)cc2C)C1 ZINC000067393624 551188369 /nfs/dbraw/zinc/18/83/69/551188369.db2.gz NGTXQUSAOGECKK-CYBMUJFWSA-N 1 0 382.302 2.544 20 0 GFADRO Cc1c(C(=O)N2CCC[N@@H+](C)CC2)cnn1-c1ccc(Br)cc1 ZINC000097098452 551196298 /nfs/dbraw/zinc/19/62/98/551196298.db2.gz JRSWVEMIWJCAHS-UHFFFAOYSA-N 1 0 377.286 2.721 20 0 GFADRO CC[N@H+](CCN1C(=O)CNC1=O)[C@H]1CCSc2ccc(Br)cc21 ZINC000104960233 551199064 /nfs/dbraw/zinc/19/90/64/551199064.db2.gz VPHWPEOUJSANGG-ZDUSSCGKSA-N 1 0 398.326 2.860 20 0 GFADRO CC[N@H+](CCNC(=O)[C@@H]1CC(=O)N(c2ccccc2Br)C1)C(C)C ZINC000110420964 551204558 /nfs/dbraw/zinc/20/45/58/551204558.db2.gz URZKSUWKXFKMCB-CQSZACIVSA-N 1 0 396.329 2.649 20 0 GFADRO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)c1cc(=O)c2cc(Br)ccc2[nH]1 ZINC000112637564 551206405 /nfs/dbraw/zinc/20/64/05/551206405.db2.gz YEIMSCOSIJZXRJ-CYBMUJFWSA-N 1 0 390.281 2.505 20 0 GFADRO C[C@@H](C(=O)Nc1cccc(Br)c1)[N@@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000116316159 551211776 /nfs/dbraw/zinc/21/17/76/551211776.db2.gz DTRTYJNBIXFRBS-STQMWFEESA-N 1 0 377.286 2.999 20 0 GFADRO C[C@H]1CCCC[N@@H+]1CCNC(=O)c1cc(Br)c2c(c1)OCCO2 ZINC000116347408 551212750 /nfs/dbraw/zinc/21/27/50/551212750.db2.gz ITUKPKBSEOWXMX-LBPRGKRZSA-N 1 0 383.286 2.825 20 0 GFADRO C[C@H]1C[C@@H](N(C)C(=O)Cc2cccc(I)c2)CC[N@@H+]1C ZINC000119134248 551214981 /nfs/dbraw/zinc/21/49/81/551214981.db2.gz JGKYNXOVQPOSBW-WFASDCNBSA-N 1 0 386.277 2.775 20 0 GFADRO O=C(c1cc(I)c[nH]1)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000119138291 551215321 /nfs/dbraw/zinc/21/53/21/551215321.db2.gz CZODJVBWMURTIR-ABAIWWIYSA-N 1 0 399.276 2.708 20 0 GFADRO CCc1c(C(=O)N2CCC[N@H+](C)CC2)cnn1-c1ccc(Br)cc1 ZINC000119428413 551216293 /nfs/dbraw/zinc/21/62/93/551216293.db2.gz PKOKEGYDQGFCTB-UHFFFAOYSA-N 1 0 391.313 2.975 20 0 GFADRO C[C@@H]([NH2+]CCc1ccc(S(N)(=O)=O)cc1)c1ccc(Br)cc1 ZINC000119681365 551218352 /nfs/dbraw/zinc/21/83/52/551218352.db2.gz BMKGJTDCFCDKFY-GFCCVEGCSA-N 1 0 383.311 2.990 20 0 GFADRO C[C@@H](C[NH2+]Cc1nc(-c2cccc(Br)c2)c[nH]1)CN1CCOCC1 ZINC000120344097 551219430 /nfs/dbraw/zinc/21/94/30/551219430.db2.gz AXVVYJHVTLEDCN-AWEZNQCLSA-N 1 0 393.329 2.897 20 0 GFADRO CC1CC[NH+](CCCCNC(=O)CCn2cc(Br)ccc2=O)CC1 ZINC000120937891 551223272 /nfs/dbraw/zinc/22/32/72/551223272.db2.gz KUDTYOJEVYMPPB-UHFFFAOYSA-N 1 0 398.345 2.629 20 0 GFADRO Cc1cc(C(=O)NC[C@@H](C(C)C)[NH+]2CCN(C)CC2)ccc1Br ZINC000120997126 551224731 /nfs/dbraw/zinc/22/47/31/551224731.db2.gz KFTMCCTUJVFQQD-KRWDZBQOSA-N 1 0 382.346 2.759 20 0 GFADRO C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CCOC[C@@H]1CCCO1 ZINC000121175408 551228777 /nfs/dbraw/zinc/22/87/77/551228777.db2.gz UUIZODBKQMMDDN-BBRMVZONSA-N 1 0 385.302 2.951 20 0 GFADRO C[C@H]1CCC[N@@H+]1C1CCN(C(=O)C(=O)Nc2ccc(Br)cc2)CC1 ZINC000121765439 551242440 /nfs/dbraw/zinc/24/24/40/551242440.db2.gz PMRNHIGGCJUCOG-ZDUSSCGKSA-N 1 0 394.313 2.863 20 0 GFADRO C[C@@H](CNC(=O)[C@H](C)Oc1ccc(Cl)c(Cl)c1)C[NH+]1CCN(C)CC1 ZINC000121771247 551242462 /nfs/dbraw/zinc/24/24/62/551242462.db2.gz DSZSLVVJSXOUSJ-KBPBESRZSA-N 1 0 388.339 2.760 20 0 GFADRO C[C@@H](CNC(=O)/C=C/c1ccc(Br)s1)C[NH+]1CCN(C)CC1 ZINC000121946509 551293079 /nfs/dbraw/zinc/29/30/79/551293079.db2.gz BBNOUJOTLXBVRK-BPJJOFIESA-N 1 0 386.359 2.524 20 0 GFADRO CCC[C@H]1CN(C[C@H](O)c2cccc(Br)c2)CC[N@@H+]1CCOC ZINC000121949049 551293219 /nfs/dbraw/zinc/29/32/19/551293219.db2.gz UXOHCDLEKUIDGS-ROUUACIJSA-N 1 0 385.346 2.915 20 0 GFADRO O=C(CSc1cccc(Br)c1)NC[C@H]1CN(C2CC2)CCO1 ZINC000122533366 551299062 /nfs/dbraw/zinc/29/90/62/551299062.db2.gz YERDMIBJFZJSMO-AWEZNQCLSA-N 1 0 385.327 2.521 20 0 GFADRO CSCC[C@@H]([NH3+])C(=O)N[C@@H](C)c1nc(-c2ccc(Br)cc2)no1 ZINC000122565392 551300154 /nfs/dbraw/zinc/30/01/54/551300154.db2.gz NYNPCIRIJQGZHO-JOYOIKCWSA-N 1 0 399.314 2.757 20 0 GFADRO COC(=O)c1sc2ccccc2c1S(=O)(=O)N1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000123062938 551302460 /nfs/dbraw/zinc/30/24/60/551302460.db2.gz SAKZQSQFTNAXFM-DGCLKSJQSA-N 1 0 382.507 2.578 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000123282517 551304747 /nfs/dbraw/zinc/30/47/47/551304747.db2.gz RWUNNTNGTIZETD-CQSZACIVSA-N 1 0 394.313 2.640 20 0 GFADRO C[NH+](C)CCCOC1CCN(C(=O)COc2ccccc2Br)CC1 ZINC000123606578 551307386 /nfs/dbraw/zinc/30/73/86/551307386.db2.gz OHEYENVXZFXEFX-UHFFFAOYSA-N 1 0 399.329 2.787 20 0 GFADRO C[NH+](C)CCOc1cc(CNC(=O)c2cc(Br)ccc2F)ccn1 ZINC000124403228 551314377 /nfs/dbraw/zinc/31/43/77/551314377.db2.gz QMCXBNQBIQUFRV-UHFFFAOYSA-N 1 0 396.260 2.854 20 0 GFADRO Cc1ccc(Br)cc1C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000124822563 551318125 /nfs/dbraw/zinc/31/81/25/551318125.db2.gz VKEXTIJYXHHGCN-UHFFFAOYSA-N 1 0 381.314 2.942 20 0 GFADRO CCCOc1ccc(Br)cc1C[NH2+]C[C@@H]1CCCS1(=O)=O ZINC000126987736 551335607 /nfs/dbraw/zinc/33/56/07/551335607.db2.gz HKRQORYGCAHJFN-AWEZNQCLSA-N 1 0 376.316 2.905 20 0 GFADRO CC[C@H]([NH2+]CCc1ccc(S(=O)(=O)N2CCCCC2)s1)[C@H]1CCOC1 ZINC000127258352 551338588 /nfs/dbraw/zinc/33/85/88/551338588.db2.gz RCXGGIRATJAYAV-RDJZCZTQSA-N 1 0 386.583 2.870 20 0 GFADRO C[C@H](C(=O)NCCCC[N@@H+]1CCC[C@@H]1CO)c1ccc(Br)cc1 ZINC000128070026 551346164 /nfs/dbraw/zinc/34/61/64/551346164.db2.gz GLALZKIQWPZHIK-WMLDXEAASA-N 1 0 383.330 2.906 20 0 GFADRO Cc1nc(NC(=O)NCCCC[N@@H+]2CCC[C@H]2CO)ccc1Br ZINC000128772396 551352289 /nfs/dbraw/zinc/35/22/89/551352289.db2.gz GPMJKSYTRRDEIR-ZDUSSCGKSA-N 1 0 385.306 2.511 20 0 GFADRO [NH3+][C@H](CNS(=O)(=O)c1c(Cl)cc(Br)cc1Cl)C1CC1 ZINC000129286051 551355466 /nfs/dbraw/zinc/35/54/66/551355466.db2.gz UPBQAORUZPDVEM-SNVBAGLBSA-N 1 0 388.114 2.772 20 0 GFADRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc(S(N)(=O)=O)c1)c1cccc(Cl)c1 ZINC000129242634 551355180 /nfs/dbraw/zinc/35/51/80/551355180.db2.gz BUOCFPGGUVTLBN-NEPJUHHUSA-N 1 0 381.885 2.665 20 0 GFADRO [NH3+][C@@H]1CCC[C@H](NC(=O)Nc2cc(F)c(I)c(F)c2)C1 ZINC000415119674 563759454 /nfs/dbraw/zinc/75/94/54/563759454.db2.gz KRRLKJRWUMATDH-SFYZADRCSA-N 1 0 395.191 2.961 20 0 GFADRO O=C(CC[N@@H+]1CCO[C@H]([C@@H]2CCCO2)C1)Nc1cccc(Br)c1 ZINC000129969595 551360637 /nfs/dbraw/zinc/36/06/37/551360637.db2.gz PWQUKNSGXVKCTD-HOTGVXAUSA-N 1 0 383.286 2.658 20 0 GFADRO C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]C[C@@H](O)COCC1CC1 ZINC000129997441 551360697 /nfs/dbraw/zinc/36/06/97/551360697.db2.gz GQSFQPFWLCMWDT-BLLLJJGKSA-N 1 0 385.302 2.543 20 0 GFADRO Cc1ccc(Br)c(NC(=O)C(=O)NC[C@@H](C)C[NH+]2CCCCC2)c1 ZINC000130354490 551363896 /nfs/dbraw/zinc/36/38/96/551363896.db2.gz DVDNNPHLHKPKHA-CQSZACIVSA-N 1 0 396.329 2.934 20 0 GFADRO O=C(CCC[S@@](=O)c1ccc(Br)cc1)NC[C@H]1CCCC[NH2+]1 ZINC000130739159 551368863 /nfs/dbraw/zinc/36/88/63/551368863.db2.gz WNANXMVAGMMAKZ-PEBXRYMYSA-N 1 0 387.343 2.595 20 0 GFADRO C[NH2+][C@@H]1CCCN(C(=O)c2cc(Br)nn2-c2ccc(C)cc2)C1 ZINC000133422592 551383071 /nfs/dbraw/zinc/38/30/71/551383071.db2.gz FTPUNFPTFWDGEJ-CYBMUJFWSA-N 1 0 377.286 2.767 20 0 GFADRO CN(C)S(=O)(=O)CCC[N@@H+]1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000134448372 551386019 /nfs/dbraw/zinc/38/60/19/551386019.db2.gz FYNUIBHBTHOYHK-LLVKDONJSA-N 1 0 385.477 2.623 20 0 GFADRO CCOCCC(=O)NC1CC[NH+](CCOc2ccc(Br)cc2)CC1 ZINC000136695832 551389765 /nfs/dbraw/zinc/38/97/65/551389765.db2.gz XCCQXSFVMHDEFY-UHFFFAOYSA-N 1 0 399.329 2.835 20 0 GFADRO C[C@@H](NC(=O)NC[C@H]1CCC[N@@H+]1C)c1cc2c(cc1Br)OCCO2 ZINC000139764847 551392826 /nfs/dbraw/zinc/39/28/26/551392826.db2.gz DTTAKNCHFBRWOA-VXGBXAGGSA-N 1 0 398.301 2.675 20 0 GFADRO C[C@@H](OCC1CC1)C(=O)Nc1cc(Br)ccc1N1CC[NH+](C)CC1 ZINC000140819502 551393926 /nfs/dbraw/zinc/39/39/26/551393926.db2.gz BTQYGUPWVWSHAU-CYBMUJFWSA-N 1 0 396.329 2.955 20 0 GFADRO COCC[NH+]1CCC(NC(=O)CCOc2ccc(Cl)cc2Cl)CC1 ZINC000141354385 551394504 /nfs/dbraw/zinc/39/45/04/551394504.db2.gz AQKVDUCPIGPFQL-UHFFFAOYSA-N 1 0 375.296 2.989 20 0 GFADRO O=C(CSc1cccc[n+]1[O-])NCC1CC[NH+](Cc2cccs2)CC1 ZINC000145736376 551396843 /nfs/dbraw/zinc/39/68/43/551396843.db2.gz CVENZTIFEVJLGJ-UHFFFAOYSA-N 1 0 377.535 2.502 20 0 GFADRO O=C(c1sccc1S(=O)(=O)C(F)F)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000150764837 551401180 /nfs/dbraw/zinc/40/11/80/551401180.db2.gz MZQRDAPPNHZQSV-GFCCVEGCSA-N 1 0 392.493 2.835 20 0 GFADRO C[NH2+][C@H]1CCCN(C(=O)c2ccc(I)c(Cl)c2)C1 ZINC000150989168 551405087 /nfs/dbraw/zinc/40/50/87/551405087.db2.gz RDBRHYOUMFCOGS-JTQLQIEISA-N 1 0 378.641 2.769 20 0 GFADRO Cc1cc(C)c(NC(=O)[C@H](C)Sc2nnnn2CC[NH+](C)C)c(Cl)c1 ZINC000151662890 551419151 /nfs/dbraw/zinc/41/91/51/551419151.db2.gz FBYVDRUCTHTXRU-LBPRGKRZSA-N 1 0 382.921 2.624 20 0 GFADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1CCc2c(Cl)cc(Cl)cc2C1 ZINC000151757356 551420438 /nfs/dbraw/zinc/42/04/38/551420438.db2.gz NBNDCMLXFSWYGL-CYBMUJFWSA-N 1 0 385.339 2.697 20 0 GFADRO CC(C)[NH2+]CCCNC(=O)CCC[S@](=O)c1ccc(Br)cc1 ZINC000151830802 551422022 /nfs/dbraw/zinc/42/20/22/551422022.db2.gz ZIVMEKICWUKSHU-JOCHJYFZSA-N 1 0 389.359 2.841 20 0 GFADRO Cc1ccsc1[C@H](C)[NH2+]Cc1ccc(S(=O)(=O)N2CCOCC2)s1 ZINC000152144166 551426731 /nfs/dbraw/zinc/42/67/31/551426731.db2.gz PUGRMQWAUTVWFG-ZDUSSCGKSA-N 1 0 386.564 2.990 20 0 GFADRO O=C(C[C@@H]1CCC[NH2+]1)NCC1(c2cccc(Br)c2)CCOCC1 ZINC000152329749 551430757 /nfs/dbraw/zinc/43/07/57/551430757.db2.gz RAUCMVNYLICVOH-INIZCTEOSA-N 1 0 381.314 2.756 20 0 GFADRO CS[C@@H](CO)[C@H](C)[NH2+]Cc1cc(Br)c2c(c1)OCCCO2 ZINC000152425150 551432459 /nfs/dbraw/zinc/43/24/59/551432459.db2.gz QVHJJIVZJBNWEM-HZMBPMFUSA-N 1 0 376.316 2.812 20 0 GFADRO CC(C)n1cnc(S(=O)(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)c1 ZINC000152448880 551433166 /nfs/dbraw/zinc/43/31/66/551433166.db2.gz WOIMXSGONUKYCS-HNNXBMFYSA-N 1 0 382.555 2.716 20 0 GFADRO CC(=O)c1cc(Br)ccc1OC[C@@H](O)CN1C[C@@H](C)O[C@@H](C)C1 ZINC000152984355 551444393 /nfs/dbraw/zinc/44/43/93/551444393.db2.gz LWHOBNWCCLAROR-ZOWXZIJZSA-N 1 0 386.286 2.501 20 0 GFADRO CSC[C@H](CCO)NC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000153105342 551446810 /nfs/dbraw/zinc/44/68/10/551446810.db2.gz PEQRIOUMJOVFHU-KRWDZBQOSA-N 1 0 385.961 2.718 20 0 GFADRO Cc1c(C(=O)N(C)[C@@H]2CCC[N@H+](C)C2)nnn1-c1cccc(Br)c1 ZINC000153419660 551452008 /nfs/dbraw/zinc/45/20/08/551452008.db2.gz BINNVWCCHQVSRJ-OAHLLOKOSA-N 1 0 392.301 2.504 20 0 GFADRO C[C@@H](Cc1ccc(Br)cc1)C(=O)N(C)CCCN1CC[NH+](C)CC1 ZINC000153831322 551461446 /nfs/dbraw/zinc/46/14/46/551461446.db2.gz HGNGBBDJYSZBFH-INIZCTEOSA-N 1 0 396.373 2.724 20 0 GFADRO O=C(Cc1cccc(I)c1)N1CCC([NH+]2CCCC2)CC1 ZINC000153997220 551465001 /nfs/dbraw/zinc/46/50/01/551465001.db2.gz OUKYYJLAJFAQBD-UHFFFAOYSA-N 1 0 398.288 2.921 20 0 GFADRO CCO[C@H](CC[NH+](C)C)CNC(=O)Cc1cc(Br)ccc1F ZINC000154062932 551466368 /nfs/dbraw/zinc/46/63/68/551466368.db2.gz GAXPSYLVDCLCPJ-CQSZACIVSA-N 1 0 375.282 2.604 20 0 GFADRO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)Cc1cc2c(cc1Br)OCCO2 ZINC000154050716 551466595 /nfs/dbraw/zinc/46/65/95/551466595.db2.gz IFCABIPUCZZMNW-OAHLLOKOSA-N 1 0 397.313 2.561 20 0 GFADRO Cn1c2ccc(Br)cc2nc1-c1cnc(N2CCN(C)CC2)nc1 ZINC000154495352 551476415 /nfs/dbraw/zinc/47/64/15/551476415.db2.gz WRRCKODTWHHIHI-UHFFFAOYSA-N 1 0 387.285 2.545 20 0 GFADRO Cc1ccc(Br)c(C(=O)NC[C@H](C(C)C)[NH+]2CCN(C)CC2)c1 ZINC000154620892 551479398 /nfs/dbraw/zinc/47/93/98/551479398.db2.gz MJFHBBVJMUDJBP-QGZVFWFLSA-N 1 0 382.346 2.759 20 0 GFADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)c2cc(C)ccc2Br)CC1 ZINC000154658261 551480442 /nfs/dbraw/zinc/48/04/42/551480442.db2.gz PLMTWHYCSVZWSX-HNNXBMFYSA-N 1 0 382.346 2.761 20 0 GFADRO CCN(CC)S(=O)(=O)CC[NH2+][C@H]1CCc2c1cc(Br)cc2F ZINC000154756386 551482163 /nfs/dbraw/zinc/48/21/63/551482163.db2.gz XTDWRMQBUIJHCS-HNNXBMFYSA-N 1 0 393.322 2.837 20 0 GFADRO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[NH+]1CCC(OCCCO)CC1 ZINC000154917632 551485896 /nfs/dbraw/zinc/48/58/96/551485896.db2.gz OTVVEIAZUSIGQS-UHFFFAOYSA-N 1 0 389.323 2.815 20 0 GFADRO CCC[NH+]1CCC(NC(=O)c2cc(=O)[nH]c3ccc(Br)cc32)CC1 ZINC000155012691 551488650 /nfs/dbraw/zinc/48/86/50/551488650.db2.gz AUNMSEHXGJMILJ-UHFFFAOYSA-N 1 0 392.297 2.895 20 0 GFADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)COc3ccc(Br)cc3F)CC[C@@H]21 ZINC000155079485 551490809 /nfs/dbraw/zinc/49/08/09/551490809.db2.gz APUWLIVYXQSBJU-DOMZBBRYSA-N 1 0 385.277 2.910 20 0 GFADRO C[C@H](C(=O)NC1CC1)[NH+]1CCC(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000155162013 551493158 /nfs/dbraw/zinc/49/31/58/551493158.db2.gz NGZCVMWWAKKIPR-GFCCVEGCSA-N 1 0 394.313 2.767 20 0 GFADRO Cc1sc(Br)cc1S(=O)(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000155165240 551493672 /nfs/dbraw/zinc/49/36/72/551493672.db2.gz XFPWUTSEAULZKC-LLVKDONJSA-N 1 0 381.361 2.781 20 0 GFADRO CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)[C@@H]([NH3+])CCSC ZINC000155265898 551495852 /nfs/dbraw/zinc/49/58/52/551495852.db2.gz UXIOZSCEBGKNEP-LBPRGKRZSA-N 1 0 378.325 2.861 20 0 GFADRO O=C(NC[C@@H](O)c1ccc(Cl)cc1Cl)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC000155317296 551497086 /nfs/dbraw/zinc/49/70/86/551497086.db2.gz MUJGSFPESZAKNO-DLBZAZTESA-N 1 0 387.307 2.786 20 0 GFADRO C[N@@H+]1CCC[C@H]2CN(C(=O)CNC(=O)c3ccc(Cl)c(Cl)c3)CC[C@@H]21 ZINC000155337796 551497457 /nfs/dbraw/zinc/49/74/57/551497457.db2.gz UJCFLKBLVBRDKJ-BBRMVZONSA-N 1 0 384.307 2.666 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)c2cnc(Sc3nccn3C)c(Cl)c2)C1 ZINC000156342568 551520407 /nfs/dbraw/zinc/52/04/07/551520407.db2.gz QIQTYNKWJLDUOX-RYUDHWBXSA-N 1 0 379.917 2.819 20 0 GFADRO CC(=O)N1CC[C@@H](C[N@@H+](C)[C@H](C)C(=O)Nc2ccc(Br)c(C)c2)C1 ZINC000156356862 551521141 /nfs/dbraw/zinc/52/11/41/551521141.db2.gz HHOSJPQUQGHDPB-HIFRSBDPSA-N 1 0 396.329 2.885 20 0 GFADRO CC[NH+](CC)[C@H]1CCN(S(=O)(=O)c2cc(F)ccc2Br)C1 ZINC000156467771 551523408 /nfs/dbraw/zinc/52/34/08/551523408.db2.gz ZVSYXQDLCDHPQC-LBPRGKRZSA-N 1 0 379.295 2.693 20 0 GFADRO C[C@H]1CCCN(C(=O)c2cc(=O)[nH]c3ccc(Br)cc32)[C@@H]1C[NH3+] ZINC000156783163 551528222 /nfs/dbraw/zinc/52/82/22/551528222.db2.gz PVNZIKXLALOQFV-ZUZCIYMTSA-N 1 0 378.270 2.902 20 0 GFADRO C[C@@H](CNC(=O)C[NH2+]C[C@H]1CCCO1)Sc1ccc(Br)cc1 ZINC000157561133 551539353 /nfs/dbraw/zinc/53/93/53/551539353.db2.gz DNCLMJFQMMDTBF-GXTWGEPZSA-N 1 0 387.343 2.815 20 0 GFADRO Cc1cc(S(=O)(=O)NCC[NH2+]Cc2c(C)nc3sc(C)cn23)c(C)s1 ZINC000158366495 551551295 /nfs/dbraw/zinc/55/12/95/551551295.db2.gz NAROCRHSMVBSKO-UHFFFAOYSA-N 1 0 398.579 2.759 20 0 GFADRO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)C1CCN(C(=O)c2ccc(Cl)s2)CC1 ZINC000158497002 551552851 /nfs/dbraw/zinc/55/28/51/551552851.db2.gz XFTSMHZFEGHYKK-KGLIPLIRSA-N 1 0 383.945 2.887 20 0 GFADRO O=C(N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO)c1ccc(Br)o1 ZINC000158661610 551554880 /nfs/dbraw/zinc/55/48/80/551554880.db2.gz CXUYVJYUXOSPAY-LSDHHAIUSA-N 1 0 393.281 2.655 20 0 GFADRO COC(=O)c1cc(Cl)ccc1S(=O)(=O)NC[C@H](C)[NH+]1CCC(C)CC1 ZINC000158764743 551556017 /nfs/dbraw/zinc/55/60/17/551556017.db2.gz AQYJRVOSNCHWHW-ZDUSSCGKSA-N 1 0 388.917 2.525 20 0 GFADRO C[NH+](C)C[C@@H]1CCCCN1C(=O)c1cc(=O)[nH]c2ccc(Br)cc21 ZINC000158844607 551557947 /nfs/dbraw/zinc/55/79/47/551557947.db2.gz LQGDECSOZFBHEY-ZDUSSCGKSA-N 1 0 392.297 2.847 20 0 GFADRO O=C(c1cc(Cl)ccc1I)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000158932717 551558817 /nfs/dbraw/zinc/55/88/17/551558817.db2.gz WBTZHTOGZUTCIC-PHIMTYICSA-N 1 0 390.652 2.911 20 0 GFADRO C[C@@H]([NH2+]C[C@@H](O)COc1ccc(I)cc1)c1ccccn1 ZINC000158968063 551559394 /nfs/dbraw/zinc/55/93/94/551559394.db2.gz PEDPPCOIACBYKL-TZMCWYRMSA-N 1 0 398.244 2.777 20 0 GFADRO O=C(CCNc1ncc(C(F)(F)F)cc1Cl)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000159205759 551562076 /nfs/dbraw/zinc/56/20/76/551562076.db2.gz GKTXSMZAHFLUSV-OAHLLOKOSA-N 1 0 376.810 2.768 20 0 GFADRO CSCC[C@H]([NH3+])C(=O)Nc1cccc(CS(=O)(=O)c2ccccc2)c1 ZINC000159216599 551562318 /nfs/dbraw/zinc/56/23/18/551562318.db2.gz WAZLQWQOACCLGA-KRWDZBQOSA-N 1 0 378.519 2.679 20 0 GFADRO CN(C(=O)/C=C/c1ccc(I)o1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000161566069 551595934 /nfs/dbraw/zinc/59/59/34/551595934.db2.gz BHHVIABYKIASSJ-GNXTUIGOSA-N 1 0 386.233 2.639 20 0 GFADRO C[C@H](CNC(=O)c1ccc2cc(Br)ccc2c1)N1CC[NH+](C)CC1 ZINC000161647126 551596909 /nfs/dbraw/zinc/59/69/09/551596909.db2.gz CLILXPJSABVHID-CQSZACIVSA-N 1 0 390.325 2.968 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H](NC(=O)CCc2nc(-c3cc(Br)cs3)no2)C1 ZINC000161721302 551597663 /nfs/dbraw/zinc/59/76/63/551597663.db2.gz HNYZBNRKZSVDGZ-GHMZBOCLSA-N 1 0 399.314 2.879 20 0 GFADRO CC[NH+](CC)[C@H](C)CNC(=O)N(C)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000161826565 551598992 /nfs/dbraw/zinc/59/89/92/551598992.db2.gz PILZWJYCALAJQK-IUODEOHRSA-N 1 0 387.933 2.540 20 0 GFADRO CC(C)[C@H]([NH3+])CCN(C)C(=O)COc1ccc(I)cc1 ZINC000162051514 551602972 /nfs/dbraw/zinc/60/29/72/551602972.db2.gz CDDDKOFTGYXHRW-CQSZACIVSA-N 1 0 390.265 2.502 20 0 GFADRO [NH3+][C@H]1CCC[C@@H](NC(=O)C2(c3ccc(Br)cc3)CCOCC2)C1 ZINC000162111482 551603497 /nfs/dbraw/zinc/60/34/97/551603497.db2.gz LHBUFKVFYJEFTG-JKSUJKDBSA-N 1 0 381.314 2.883 20 0 GFADRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)c2ccccc2I)C1 ZINC000162143233 551604327 /nfs/dbraw/zinc/60/43/27/551604327.db2.gz TWYAWIFFZLNYHY-CYBMUJFWSA-N 1 0 386.277 2.999 20 0 GFADRO C[C@H](CNC(=O)C[C@H](C)c1ccc(Br)cc1)C[NH+]1CCN(C)CC1 ZINC000162223653 551605615 /nfs/dbraw/zinc/60/56/15/551605615.db2.gz FKIBIISHWMVSPH-CVEARBPZSA-N 1 0 396.373 2.942 20 0 GFADRO C[NH+](C)CCCOc1ccc(NC(=O)c2csc(S(C)(=O)=O)c2)cc1 ZINC000162252328 551606047 /nfs/dbraw/zinc/60/60/47/551606047.db2.gz YGNTYWUPCLOOPT-UHFFFAOYSA-N 1 0 382.507 2.734 20 0 GFADRO COC(=O)[C@@H]1CCCCC[C@@H]1[NH2+][C@H](C(N)=O)c1cccc(Br)c1 ZINC000162655480 551611027 /nfs/dbraw/zinc/61/10/27/551611027.db2.gz XSZIHNGXLLOTNS-ILXRZTDVSA-N 1 0 383.286 2.687 20 0 GFADRO O=C(C1CC[NH+](Cc2cnc(-c3cccs3)s2)CC1)N1CCOCC1 ZINC000162672462 551611501 /nfs/dbraw/zinc/61/15/01/551611501.db2.gz OLYPOBNCRWWHDC-UHFFFAOYSA-N 1 0 377.535 2.942 20 0 GFADRO CC[N@@H+]1CCCN(C(=O)C(=O)Nc2ccc(Br)cc2Cl)CC1 ZINC000163208048 551617972 /nfs/dbraw/zinc/61/79/72/551617972.db2.gz BGBRCJKBKNTHQL-UHFFFAOYSA-N 1 0 388.693 2.595 20 0 GFADRO CCc1nn(C)c(CC)c1C[NH2+]C[C@H](O)COc1ccccc1Br ZINC000163303351 551618442 /nfs/dbraw/zinc/61/84/42/551618442.db2.gz VZXNEORPZDVVOD-ZDUSSCGKSA-N 1 0 396.329 2.837 20 0 GFADRO [NH3+][C@H]1CCC[C@H]1C(=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000163487178 551620023 /nfs/dbraw/zinc/62/00/23/551620023.db2.gz LIPCIUHZAUFCKI-YPMHNXCESA-N 1 0 376.810 2.530 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H]1C(=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000163487544 551620266 /nfs/dbraw/zinc/62/02/66/551620266.db2.gz LIPCIUHZAUFCKI-WCQYABFASA-N 1 0 376.810 2.530 20 0 GFADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)Cc1c[nH]c2cc(Br)ccc12 ZINC000163528203 551620571 /nfs/dbraw/zinc/62/05/71/551620571.db2.gz VFDLAVWMXUYCMV-OAHLLOKOSA-N 1 0 394.313 2.700 20 0 GFADRO COC1CCN(CC[NH2+][C@H](C)CC(=O)Nc2cccc(Br)c2)CC1 ZINC000163630495 551621115 /nfs/dbraw/zinc/62/11/15/551621115.db2.gz NPALAOJUOMDUOR-CQSZACIVSA-N 1 0 398.345 2.867 20 0 GFADRO O=S(=O)(N1CCC([NH2+][C@@H](Cc2ccccc2)C2CC2)CC1)C(F)(F)F ZINC000168058440 551634251 /nfs/dbraw/zinc/63/42/51/551634251.db2.gz AIUNOFUUCIVULH-INIZCTEOSA-N 1 0 376.444 2.911 20 0 GFADRO C[C@H](CC[NH2+]Cc1ncc(Br)cc1Br)[S@@](C)=O ZINC000168621840 551634901 /nfs/dbraw/zinc/63/49/01/551634901.db2.gz YZPLPFLDNUZJSK-RBHXEPJQSA-N 1 0 384.137 2.853 20 0 GFADRO O=C(NCC1([NH+]2CCSCC2)CCCC1)c1ccc(Br)cn1 ZINC000170755835 551638915 /nfs/dbraw/zinc/63/89/15/551638915.db2.gz GRGMWBVVDTYHLK-UHFFFAOYSA-N 1 0 384.343 2.936 20 0 GFADRO CN(CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)Cc1cscn1 ZINC000170643671 551636475 /nfs/dbraw/zinc/63/64/75/551636475.db2.gz INHSHSKEUNBPKY-UHFFFAOYSA-N 1 0 376.551 2.762 20 0 GFADRO Cc1c(Br)cccc1NC(=O)C(=O)N[C@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000170704756 551638089 /nfs/dbraw/zinc/63/80/89/551638089.db2.gz LZNVSGCJGTXEJQ-QWHCGFSZSA-N 1 0 396.329 2.933 20 0 GFADRO CC(C)[NH+]1CCC(NC(=O)/C=C/c2ccc(I)o2)CC1 ZINC000171162469 551648614 /nfs/dbraw/zinc/64/86/14/551648614.db2.gz UCSHZCMDWNPEOG-GQCTYLIASA-N 1 0 388.249 2.886 20 0 GFADRO O=C(c1ccc(I)c(F)c1)N1CCC[N@@H+](C2CC2)CC1 ZINC000171480999 551657032 /nfs/dbraw/zinc/65/70/32/551657032.db2.gz JOTXWLXKKPFAHX-UHFFFAOYSA-N 1 0 388.224 2.741 20 0 GFADRO CN(C)c1nc2sc(C(=O)N(CC[NH+](C)C)C[C@H]3CCCO3)cc2s1 ZINC000171565797 551658100 /nfs/dbraw/zinc/65/81/00/551658100.db2.gz JDSUWRFOGXZWOU-GFCCVEGCSA-N 1 0 382.555 2.607 20 0 GFADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)c2cc(SC)ccc2Cl)CC1 ZINC000171560742 551658105 /nfs/dbraw/zinc/65/81/05/551658105.db2.gz HEOQYWBBTZOTBY-UHFFFAOYSA-N 1 0 383.945 2.688 20 0 GFADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@@H](C)Oc2ccccc2Br)C1 ZINC000171792648 551663852 /nfs/dbraw/zinc/66/38/52/551663852.db2.gz LFFSXHVTZDFSDI-HUUCEWRRSA-N 1 0 399.329 2.689 20 0 GFADRO CC[NH+](CC)CCN(CCOC)C(=O)c1n[nH]c2ccc(Br)cc21 ZINC000171807851 551664142 /nfs/dbraw/zinc/66/41/42/551664142.db2.gz NHBCLDUMTQISEK-UHFFFAOYSA-N 1 0 397.317 2.756 20 0 GFADRO CCOc1c(Br)cc(C[NH2+]C[C@](C)(O)CCOC)cc1OC ZINC000172069101 551670333 /nfs/dbraw/zinc/67/03/33/551670333.db2.gz GPMCVTIPSJWVEN-MRXNPFEDSA-N 1 0 376.291 2.734 20 0 GFADRO O=C(CCC[S@](=O)c1ccc(Br)cc1)NCC[NH+]1CCCC1 ZINC000172269351 551675013 /nfs/dbraw/zinc/67/50/13/551675013.db2.gz OLNNAZLTJMBHEI-QFIPXVFZSA-N 1 0 387.343 2.549 20 0 GFADRO O=C(NCc1cccc(Br)c1)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000172495359 551680432 /nfs/dbraw/zinc/68/04/32/551680432.db2.gz OEFUHIQLTIOZHG-OAHLLOKOSA-N 1 0 396.329 2.749 20 0 GFADRO O=C(Nc1cc(Br)ccc1F)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000172537246 551681575 /nfs/dbraw/zinc/68/15/75/551681575.db2.gz HMJFEEZGOKUXTD-UHFFFAOYSA-N 1 0 398.276 2.517 20 0 GFADRO CN(C(=O)/C=C/c1cc(Br)c2c(c1)OCCO2)C1CC[NH+](C)CC1 ZINC000172794181 551686975 /nfs/dbraw/zinc/68/69/75/551686975.db2.gz NZZLVYKMIPYJRC-ONEGZZNKSA-N 1 0 395.297 2.786 20 0 GFADRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)S(=O)(=O)c1ccc(OC(F)F)c(Cl)c1 ZINC000173244255 552080805 /nfs/dbraw/zinc/08/08/05/552080805.db2.gz TZKUPRJXJWHTDM-MFKMUULPSA-N 1 0 382.860 2.902 20 0 GFADRO CC[NH+](CC)CCNC(=O)NCCOc1ncc(C(F)(F)F)cc1Cl ZINC000173265419 552081614 /nfs/dbraw/zinc/08/16/14/552081614.db2.gz FSJZRJOARQYKEY-UHFFFAOYSA-N 1 0 382.814 2.774 20 0 GFADRO O=C(Nc1ccc(Br)cc1)C(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000173338665 552083100 /nfs/dbraw/zinc/08/31/00/552083100.db2.gz XXSBNRWLPIUPFT-CQSZACIVSA-N 1 0 394.313 2.722 20 0 GFADRO CC[NH+]1CCN([C@@H](C)CNC(=O)[C@@H](C)c2ccc(Br)s2)CC1 ZINC000173395456 552085055 /nfs/dbraw/zinc/08/50/55/552085055.db2.gz RYUIAGNYEMYFNC-STQMWFEESA-N 1 0 388.375 2.756 20 0 GFADRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)c1c[nH]c(=O)c(Br)c1 ZINC000173463238 552085558 /nfs/dbraw/zinc/08/55/58/552085558.db2.gz PSPQJGLVFYAIPE-UHFFFAOYSA-N 1 0 392.297 2.861 20 0 GFADRO C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)C(=O)Nc1ccc(F)cc1Br)C2 ZINC000173450817 552085698 /nfs/dbraw/zinc/08/56/98/552085698.db2.gz JWHRFMOXXBMQLO-YHWZYXNKSA-N 1 0 398.276 2.658 20 0 GFADRO O[C@H](CN1CC[NH+](CCCOCC(F)(F)F)CC1)c1cccc(Cl)c1 ZINC000173570607 552088404 /nfs/dbraw/zinc/08/84/04/552088404.db2.gz JQBLHWRBHJDTRC-MRXNPFEDSA-N 1 0 380.838 2.960 20 0 GFADRO CC[NH+](CC)C[C@@H]1CCN(C(=O)C(=O)Nc2ccccc2Br)C1 ZINC000173608781 552088630 /nfs/dbraw/zinc/08/86/30/552088630.db2.gz HVQNAVRSROTSGO-ZDUSSCGKSA-N 1 0 382.302 2.578 20 0 GFADRO CS(=O)(=O)Cc1nc(CN2CCC[C@@H](C[NH+]3CCCCCC3)C2)cs1 ZINC000173644105 552089931 /nfs/dbraw/zinc/08/99/31/552089931.db2.gz DROXPWBQRVQOBK-INIZCTEOSA-N 1 0 385.599 2.776 20 0 GFADRO O=S(=O)(c1cc(F)ccc1Cl)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000173852684 552094205 /nfs/dbraw/zinc/09/42/05/552094205.db2.gz KPOLUZKAADPTIY-UHFFFAOYSA-N 1 0 390.908 2.745 20 0 GFADRO C[NH+]1CCC(C(=O)NC[C@H]2CCN(c3ccc(Br)cc3)C2)CC1 ZINC000174170202 552101205 /nfs/dbraw/zinc/10/12/05/552101205.db2.gz YJEDNRIPXNCXIQ-CQSZACIVSA-N 1 0 380.330 2.733 20 0 GFADRO CC(C)(C[NH2+]C1CCOCC1)S(=O)(=O)c1ccc(Br)cc1 ZINC000174408152 552103587 /nfs/dbraw/zinc/10/35/87/552103587.db2.gz JGZJKTMRYRHTRD-UHFFFAOYSA-N 1 0 376.316 2.770 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)Nc1ccc(Br)c(F)c1 ZINC000174634039 552107264 /nfs/dbraw/zinc/10/72/64/552107264.db2.gz AYGTZCBQXHKKGA-LLVKDONJSA-N 1 0 386.265 2.517 20 0 GFADRO C[N@H+](CCCOc1cccc(I)c1)Cc1cnccn1 ZINC000174644058 552107639 /nfs/dbraw/zinc/10/76/39/552107639.db2.gz YPWVIKZMMSNUQA-UHFFFAOYSA-N 1 0 383.233 2.982 20 0 GFADRO Cc1ccc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1I ZINC000174665699 552107878 /nfs/dbraw/zinc/10/78/78/552107878.db2.gz JCVSAVNRPQURPL-KGLIPLIRSA-N 1 0 384.261 2.908 20 0 GFADRO Cn1cc(N2CC[NH+](CCC(=O)Nc3cc(Cl)ccc3Cl)CC2)cn1 ZINC000174908076 552112709 /nfs/dbraw/zinc/11/27/09/552112709.db2.gz STKQLHYMVZPNTB-UHFFFAOYSA-N 1 0 382.295 2.878 20 0 GFADRO C[C@@H](C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1)c1ccc(Cl)s1 ZINC000175563481 552125167 /nfs/dbraw/zinc/12/51/67/552125167.db2.gz YLZHBKCMDCZWPU-CYBMUJFWSA-N 1 0 378.929 2.968 20 0 GFADRO CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2nc(-c3cccs3)cs2)C1 ZINC000176089787 552135590 /nfs/dbraw/zinc/13/55/90/552135590.db2.gz IHZOBMBQRLZMLL-GFCCVEGCSA-N 1 0 378.523 2.610 20 0 GFADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2c(F)cc(Br)cc2F)C1 ZINC000176200829 552136529 /nfs/dbraw/zinc/13/65/29/552136529.db2.gz NMNWXUDROAWDKK-LBPRGKRZSA-N 1 0 391.256 2.814 20 0 GFADRO CC(C)[C@@H](CNC(=O)CCc1ccc(Br)cc1)[NH+]1CCN(C)CC1 ZINC000176377227 552139901 /nfs/dbraw/zinc/13/99/01/552139901.db2.gz UFNXLQAMSBDFKY-GOSISDBHSA-N 1 0 396.373 2.770 20 0 GFADRO CC[C@@H]([NH2+]CC1=Cc2cc(Cl)cc(Cl)c2OC1)C(=O)N1CCOCC1 ZINC000176804617 552146245 /nfs/dbraw/zinc/14/62/45/552146245.db2.gz MYPIRZILKYZIJT-MRXNPFEDSA-N 1 0 385.291 2.996 20 0 GFADRO CC[C@@H](C(=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)[NH+](C)C ZINC000177943231 552161011 /nfs/dbraw/zinc/16/10/11/552161011.db2.gz SQTLZQHWQCYEBI-ZDUSSCGKSA-N 1 0 378.826 2.743 20 0 GFADRO C[C@@H](C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1)c1ccc(Br)s1 ZINC000178112657 552164092 /nfs/dbraw/zinc/16/40/92/552164092.db2.gz FQILTZHVARVKKH-CHWSQXEVSA-N 1 0 387.343 2.795 20 0 GFADRO O=C(Cc1ccccc1I)N1CCC[N@@H+](C2CC2)CC1 ZINC000178281762 552168141 /nfs/dbraw/zinc/16/81/41/552168141.db2.gz FTOGCPOLFVJHNV-UHFFFAOYSA-N 1 0 384.261 2.530 20 0 GFADRO C[C@@H]([NH2+]C[C@@H](O)COc1ccc(I)cc1)c1ccoc1 ZINC000178519850 552172039 /nfs/dbraw/zinc/17/20/39/552172039.db2.gz WSVWSYICWYCUJP-BXUZGUMPSA-N 1 0 387.217 2.975 20 0 GFADRO COc1ccc(CC[NH2+][C@H](C)Cn2cc(Br)cn2)c(OC)c1OC ZINC000178556195 552172482 /nfs/dbraw/zinc/17/24/82/552172482.db2.gz RHXLFPVIPZZDET-GFCCVEGCSA-N 1 0 398.301 2.892 20 0 GFADRO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)C[N@H+](C)C[C@@H]1CCOC1 ZINC000178768589 552174859 /nfs/dbraw/zinc/17/48/59/552174859.db2.gz QFUQSWIKZPDIHC-JTQLQIEISA-N 1 0 375.252 2.687 20 0 GFADRO C[C@H]([NH3+])C1CCN(C(=O)c2ccc(S(=O)(=O)c3ccccc3)s2)CC1 ZINC000178808430 552176017 /nfs/dbraw/zinc/17/60/17/552176017.db2.gz YVYYFZACTJSAPP-ZDUSSCGKSA-N 1 0 378.519 2.780 20 0 GFADRO CN(C(=O)c1cccc(NC(=O)c2ccc(Br)o2)c1)[C@H]1CC[NH2+]C1 ZINC000179058768 552183349 /nfs/dbraw/zinc/18/33/49/552183349.db2.gz KVYRUYTUONKKHT-ZDUSSCGKSA-N 1 0 392.253 2.728 20 0 GFADRO CC(=O)Nc1ccc(CN[C@@H](C(N)=O)c2cccc(Br)c2)cc1 ZINC000179216576 552187176 /nfs/dbraw/zinc/18/71/76/552187176.db2.gz QVZHOLDZTHXZLY-MRXNPFEDSA-N 1 0 376.254 2.724 20 0 GFADRO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]C[C@@H](O)c2ccc(Cl)c(F)c2)cc1 ZINC000179502595 552195038 /nfs/dbraw/zinc/19/50/38/552195038.db2.gz DLDMPQLKULKWBI-PIGZYNQJSA-N 1 0 386.876 2.771 20 0 GFADRO CC(C)C[N@@H+]1Cc2cccc(NC(=O)c3csc(S(N)(=O)=O)c3)c2C1 ZINC000179574726 552196717 /nfs/dbraw/zinc/19/67/17/552196717.db2.gz FLQYHZPXFYCICW-UHFFFAOYSA-N 1 0 379.507 2.619 20 0 GFADRO CCC[NH+](CCC)CCCNC(=O)C(=O)Nc1ccc(C)nc1Br ZINC000179651060 552198760 /nfs/dbraw/zinc/19/87/60/552198760.db2.gz QKGHDPAGHCKLAY-UHFFFAOYSA-N 1 0 399.333 2.719 20 0 GFADRO CC(=O)NC1CC[NH+](Cc2cnn(-c3ccc(Br)cc3)c2)CC1 ZINC000179717751 552201285 /nfs/dbraw/zinc/20/12/85/552201285.db2.gz PXQSXDKCWLVOIA-UHFFFAOYSA-N 1 0 377.286 2.735 20 0 GFADRO Cc1ccc(NC(=O)C(=O)NCCC[NH+](C(C)C)C(C)C)c(Br)n1 ZINC000179817852 552203878 /nfs/dbraw/zinc/20/38/78/552203878.db2.gz FZZUORJIGQGBQS-UHFFFAOYSA-N 1 0 399.333 2.716 20 0 GFADRO C[NH+](C)CCCNC(=O)CSc1nnc(Cc2c(F)cccc2Cl)o1 ZINC000179835818 552204652 /nfs/dbraw/zinc/20/46/52/552204652.db2.gz LBEUSLYTAXCEPQ-UHFFFAOYSA-N 1 0 386.880 2.613 20 0 GFADRO C[C@@H]([NH2+]CC(=O)Nc1ccccc1I)C1CCOCC1 ZINC000179856807 552205635 /nfs/dbraw/zinc/20/56/35/552205635.db2.gz QLPWVYMETYIUHX-LLVKDONJSA-N 1 0 388.249 2.634 20 0 GFADRO CC(C)CS(=O)(=O)N1CCC([NH2+][C@H](C)c2ccc([S@@](C)=O)cc2)CC1 ZINC000180015754 552209793 /nfs/dbraw/zinc/20/97/93/552209793.db2.gz WRXHYZAOWLUEDE-OYLFLEFRSA-N 1 0 386.583 2.525 20 0 GFADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)Nc1ccc(Cl)c(OC(F)F)c1 ZINC000180147820 552214932 /nfs/dbraw/zinc/21/49/32/552214932.db2.gz QFFCCSWQBYQPGZ-NSHDSACASA-N 1 0 376.835 2.699 20 0 GFADRO O=S(=O)(CC[NH2+][C@H](c1ccc(Cl)cc1)C1CC1)NC[C@H]1CCCCO1 ZINC000180172511 552215920 /nfs/dbraw/zinc/21/59/20/552215920.db2.gz PYOAIFJFDQBDMZ-MSOLQXFVSA-N 1 0 386.945 2.869 20 0 GFADRO C[N@H+](CCOc1cccc(CNC(=O)C(C)(Cl)Cl)c1)C1CCOCC1 ZINC000180248563 552219085 /nfs/dbraw/zinc/21/90/85/552219085.db2.gz GTJSGXJNBPYONM-UHFFFAOYSA-N 1 0 389.323 2.986 20 0 GFADRO CC(C)S(=O)(=O)CCC[NH2+]C(C)(C)COc1ncccc1Br ZINC000180395286 552224948 /nfs/dbraw/zinc/22/49/48/552224948.db2.gz GODHUUUUJTZOOZ-UHFFFAOYSA-N 1 0 393.347 2.804 20 0 GFADRO CC(C)COC[C@H](O)C[NH2+][C@@H](C)c1cc2c(cc1Br)OCCO2 ZINC000180460620 552226828 /nfs/dbraw/zinc/22/68/28/552226828.db2.gz CUHPRCZILRUBEF-QWHCGFSZSA-N 1 0 388.302 2.904 20 0 GFADRO CCS(=O)(=O)C[C@H](C)[NH2+][C@@H](C)CC(=O)Nc1cccc(Br)c1 ZINC000180824579 552236474 /nfs/dbraw/zinc/23/64/74/552236474.db2.gz JORIHZOGDAKSMR-RYUDHWBXSA-N 1 0 391.331 2.579 20 0 GFADRO CC(=O)N1CC[C@@H](C[N@@H+](C)Cc2cnn(-c3ccc(Br)cc3)c2)C1 ZINC000180825954 552236935 /nfs/dbraw/zinc/23/69/35/552236935.db2.gz KMUJWVYDWOOSSB-HNNXBMFYSA-N 1 0 391.313 2.935 20 0 GFADRO Cc1cn2c(C[NH2+]C3CCN(S(=O)(=O)CC(C)C)CC3)c(C)nc2s1 ZINC000181114047 552246958 /nfs/dbraw/zinc/24/69/58/552246958.db2.gz KAIGDMGWJGYLSJ-UHFFFAOYSA-N 1 0 384.571 2.552 20 0 GFADRO CC(C)CS(=O)(=O)N1CCC([NH2+]Cc2cccc(Br)c2)CC1 ZINC000181119099 552247254 /nfs/dbraw/zinc/24/72/54/552247254.db2.gz BLMCMHVQPWTGLX-UHFFFAOYSA-N 1 0 389.359 2.989 20 0 GFADRO Cc1nc(-c2ccccc2F)sc1[C@H](C)[NH2+]CCOCCS(C)(=O)=O ZINC000181146965 552248557 /nfs/dbraw/zinc/24/85/57/552248557.db2.gz VJLDAQIKNXCAMF-LBPRGKRZSA-N 1 0 386.514 2.969 20 0 GFADRO COCc1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1ccc(F)cc1Br)CC2 ZINC000181299566 552253099 /nfs/dbraw/zinc/25/30/99/552253099.db2.gz MYTDZQGJLVLMFA-PWSUYJOCSA-N 1 0 383.265 2.992 20 0 GFADRO C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]C[C@@H]1CCCS1(=O)=O ZINC000181377978 552254802 /nfs/dbraw/zinc/25/48/02/552254802.db2.gz RULARFWWEYKCNH-NEPJUHHUSA-N 1 0 378.416 2.589 20 0 GFADRO COc1ccc(C[C@@H](C)[NH2+]CCNS(=O)(=O)c2cc(C)sc2C)cc1 ZINC000181506762 552258969 /nfs/dbraw/zinc/25/89/69/552258969.db2.gz XAQAAHONDUDDQS-CYBMUJFWSA-N 1 0 382.551 2.873 20 0 GFADRO C[C@@H]([NH2+]C[C@@H](O)CS(=O)(=O)c1cccs1)c1ccc2ccccc2n1 ZINC000181636459 552263278 /nfs/dbraw/zinc/26/32/78/552263278.db2.gz JIUHPRJMGLHQJM-UKRRQHHQSA-N 1 0 376.503 2.782 20 0 GFADRO C[C@@H]([NH2+]C[C@@H](O)CS(=O)(=O)c1cccs1)c1cc(F)c(F)c(F)c1 ZINC000181640671 552263511 /nfs/dbraw/zinc/26/35/11/552263511.db2.gz CMEDHIJQVOHXCQ-MWLCHTKSSA-N 1 0 379.425 2.651 20 0 GFADRO O[C@@H](C[NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCC2)COc1ccccc1Br ZINC000182022847 552273305 /nfs/dbraw/zinc/27/33/05/552273305.db2.gz CENJCCMACWOBBZ-PYTWLRIVSA-N 1 0 382.298 2.736 20 0 GFADRO C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1cc2c(cc1Br)OCCCO2 ZINC000182221630 552278576 /nfs/dbraw/zinc/27/85/76/552278576.db2.gz HEHORFVETVVBJL-RYUDHWBXSA-N 1 0 383.286 2.696 20 0 GFADRO CCOC(=O)COc1c(Br)cc(C)cc1CNC1CC[NH+](C)CC1 ZINC000182246761 552279617 /nfs/dbraw/zinc/27/96/17/552279617.db2.gz DZIUQHZWCGSFCE-UHFFFAOYSA-N 1 0 399.329 2.883 20 0 GFADRO CCCC[NH+]1CCC(NS(=O)(=O)c2ccc(OCC(F)F)cc2)CC1 ZINC000182492182 552285418 /nfs/dbraw/zinc/28/54/18/552285418.db2.gz VRLAFXLUTTWOPC-UHFFFAOYSA-N 1 0 376.469 2.873 20 0 GFADRO O=C(NC1CC[NH+](Cc2ccncc2)CC1)c1cccc(Br)n1 ZINC000182589258 552288381 /nfs/dbraw/zinc/28/83/81/552288381.db2.gz DSJLJFAXQYMVCS-UHFFFAOYSA-N 1 0 375.270 2.634 20 0 GFADRO CS(=O)(=O)[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc2c(c(Br)c1)OCO2 ZINC000182612096 552288888 /nfs/dbraw/zinc/28/88/88/552288888.db2.gz HBGDAMWPHHTZNQ-GXTWGEPZSA-N 1 0 390.299 2.623 20 0 GFADRO CCNC(=O)C(C)(C)C[NH2+][C@H](C)CC(=O)Nc1ccc(Br)cc1 ZINC000183212490 552303257 /nfs/dbraw/zinc/30/32/57/552303257.db2.gz ACQOJIMTXQLVIL-GFCCVEGCSA-N 1 0 384.318 2.918 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)NCCNc2cccc(Br)c2)C[N@@H+]1C1CC1 ZINC000183250772 552303943 /nfs/dbraw/zinc/30/39/43/552303943.db2.gz QKGDBWYOYSITBF-DOMZBBRYSA-N 1 0 381.318 2.785 20 0 GFADRO C[C@H](CCNS(=O)(=O)c1ccccc1Br)[NH+]1CCCCC1 ZINC000183292148 552304937 /nfs/dbraw/zinc/30/49/37/552304937.db2.gz DONSJQAZSHJXGH-CYBMUJFWSA-N 1 0 375.332 2.992 20 0 GFADRO CNc1nnc(CC(=O)NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)s1 ZINC000183512113 552311647 /nfs/dbraw/zinc/31/16/47/552311647.db2.gz SYHDNLFBQWQPBI-AWEZNQCLSA-N 1 0 379.917 2.729 20 0 GFADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)c1cccc(Br)c1Cl ZINC000183624964 552315185 /nfs/dbraw/zinc/31/51/85/552315185.db2.gz XWCWUAVYHXKHKM-NSHDSACASA-N 1 0 375.694 2.943 20 0 GFADRO OC[C@H]([NH2+]C[C@@H](O)COc1ccc(F)cc1)c1cccc(Br)c1 ZINC000183884434 552321585 /nfs/dbraw/zinc/32/15/85/552321585.db2.gz BIZNKUZPKVEKTJ-WBVHZDCISA-N 1 0 384.245 2.651 20 0 GFADRO OC[C@H]([NH2+]C[C@@H](O)COCc1ccccc1F)c1cccc(Br)c1 ZINC000183899880 552322031 /nfs/dbraw/zinc/32/20/31/552322031.db2.gz ZSVNYZFSDPHRRG-AEFFLSMTSA-N 1 0 398.272 2.789 20 0 GFADRO C[NH+](C)CC(C)(C)CNS(=O)(=O)c1cc(Br)c(F)cc1F ZINC000184091477 552327485 /nfs/dbraw/zinc/32/74/85/552327485.db2.gz FUCNBGYELVGSKP-UHFFFAOYSA-N 1 0 385.274 2.593 20 0 GFADRO Cc1ccc(Br)c(C(=O)NC(C)(C)CC[NH+]2CCN(C)CC2)c1 ZINC000184181795 552329479 /nfs/dbraw/zinc/32/94/79/552329479.db2.gz PNJLJUZEKDRIOB-UHFFFAOYSA-N 1 0 382.346 2.903 20 0 GFADRO NC(=O)[C@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000184797897 552344799 /nfs/dbraw/zinc/34/47/99/552344799.db2.gz AWJHJUYHHYNYLR-JQWIXIFHSA-N 1 0 377.794 2.931 20 0 GFADRO [NH3+][C@H]1CC[C@@H]2CN(C(=O)CCC[S@](=O)c3ccc(Br)cc3)C[C@@H]12 ZINC000184979735 552349944 /nfs/dbraw/zinc/34/99/44/552349944.db2.gz FFVNWNCTSDODSY-OKQGUTHTSA-N 1 0 399.354 2.533 20 0 GFADRO CC[NH+](CC)C[C@H]1CCN(S(=O)(=O)c2ccc(Br)cc2F)C1 ZINC000184979014 552349961 /nfs/dbraw/zinc/34/99/61/552349961.db2.gz FWJGSHPWUGNDJK-GFCCVEGCSA-N 1 0 393.322 2.941 20 0 GFADRO C[NH+](C)CCN1CCC(NC(=O)N2Cc3cccc(Br)c3C2)CC1 ZINC000185123905 552354483 /nfs/dbraw/zinc/35/44/83/552354483.db2.gz CMPDHNYOKVQHJB-UHFFFAOYSA-N 1 0 395.345 2.500 20 0 GFADRO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)N1C[C@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000185175489 552356203 /nfs/dbraw/zinc/35/62/03/552356203.db2.gz LMBXVYTXTWUEEN-LERXQTSPSA-N 1 0 391.265 2.673 20 0 GFADRO CC[N@H+](CCO)CCNC(=O)Nc1ccc(Cl)cc1OCC(F)(F)F ZINC000185420464 552363423 /nfs/dbraw/zinc/36/34/23/552363423.db2.gz PCVIVFWCWRLFIY-UHFFFAOYSA-N 1 0 383.798 2.717 20 0 GFADRO C[C@H](CCc1ccc(O)cc1)[NH2+]CC1CCN(S(=O)(=O)C(F)F)CC1 ZINC000185524826 552365102 /nfs/dbraw/zinc/36/51/02/552365102.db2.gz HOQSLBCTOXAULE-CYBMUJFWSA-N 1 0 376.469 2.567 20 0 GFADRO COc1cc(Br)cc(S(=O)(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)c1 ZINC000185907439 552373867 /nfs/dbraw/zinc/37/38/67/552373867.db2.gz RMZWHWMCHSJAGT-STQMWFEESA-N 1 0 391.331 2.609 20 0 GFADRO C[NH+](C)CCC1CCN(S(=O)(=O)Cc2ccc(Br)cc2)CC1 ZINC000186310715 552384914 /nfs/dbraw/zinc/38/49/14/552384914.db2.gz PBWNSCWYLZQJBH-UHFFFAOYSA-N 1 0 389.359 2.943 20 0 GFADRO Cc1ccc(CCC(=O)NCC2([NH+](C)C)CCOCC2)c(Br)c1 ZINC000186377505 552386639 /nfs/dbraw/zinc/38/66/39/552386639.db2.gz ZTQWOJJBKNDXDH-UHFFFAOYSA-N 1 0 383.330 2.917 20 0 GFADRO O=C(c1csc(I)c1)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000186513416 552389706 /nfs/dbraw/zinc/38/97/06/552389706.db2.gz DFPKKUZIHHTJEA-SNVBAGLBSA-N 1 0 376.263 2.709 20 0 GFADRO O=C(Cc1ccc(F)cc1Br)N1CC[NH+](CC2CCOCC2)CC1 ZINC000186528092 552390164 /nfs/dbraw/zinc/39/01/64/552390164.db2.gz HSXITUWWYSDLDR-UHFFFAOYSA-N 1 0 399.304 2.702 20 0 GFADRO Cc1ccc([C@H](C[NH2+]Cc2cncc(Br)c2)N2CCOCC2)o1 ZINC000186581581 552391448 /nfs/dbraw/zinc/39/14/48/552391448.db2.gz MQPLEQMTFWDPNN-INIZCTEOSA-N 1 0 380.286 2.909 20 0 GFADRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)Nc1cc(F)ccc1Br ZINC000186699293 552395146 /nfs/dbraw/zinc/39/51/46/552395146.db2.gz NOAXWYKPCRTUKB-NSHDSACASA-N 1 0 388.281 2.897 20 0 GFADRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1 ZINC000186828769 552398821 /nfs/dbraw/zinc/39/88/21/552398821.db2.gz BUFCQEMDWUDAFK-CZUORRHYSA-N 1 0 384.929 2.541 20 0 GFADRO CNC(=O)[C@@H](C)C[N@H+](C)Cc1cc(Br)cc(Br)c1N ZINC000186849153 552399752 /nfs/dbraw/zinc/39/97/52/552399752.db2.gz UDLCJONXFCOKLB-QMMMGPOBSA-N 1 0 393.123 2.608 20 0 GFADRO O=C(NCC[N@@H+]1CCCOCC1)NCc1ccc(Br)cc1Cl ZINC000187046030 552405366 /nfs/dbraw/zinc/40/53/66/552405366.db2.gz MIKACGFOJBGIBD-UHFFFAOYSA-N 1 0 390.709 2.624 20 0 GFADRO COc1ccc(CC[NH2+][C@@H](C)C2CCS(=O)(=O)CC2)cc1OC(F)F ZINC000187132112 552407131 /nfs/dbraw/zinc/40/71/31/552407131.db2.gz GLOCCPRVICWHGX-LBPRGKRZSA-N 1 0 377.453 2.642 20 0 GFADRO COc1ccc(CC[NH2+][C@H](C)C2CCS(=O)(=O)CC2)cc1OC(F)F ZINC000187132131 552407309 /nfs/dbraw/zinc/40/73/09/552407309.db2.gz GLOCCPRVICWHGX-GFCCVEGCSA-N 1 0 377.453 2.642 20 0 GFADRO CCN(CC)S(=O)(=O)c1cc(NC(=O)c2coc(C[NH3+])c2)ccc1Cl ZINC000187223662 552409997 /nfs/dbraw/zinc/40/99/97/552409997.db2.gz YWSDMNZDPSIPHB-UHFFFAOYSA-N 1 0 385.873 2.675 20 0 GFADRO COc1c(Br)cccc1C[NH2+]Cc1cccc(OCC(N)=O)c1 ZINC000187270049 552410871 /nfs/dbraw/zinc/41/08/71/552410871.db2.gz WLZTZRGEXSTUAS-UHFFFAOYSA-N 1 0 379.254 2.612 20 0 GFADRO COc1c(Br)cccc1C[NH2+]CCn1c(=O)[nH]c2ccccc21 ZINC000187284587 552411371 /nfs/dbraw/zinc/41/13/71/552411371.db2.gz BDRNDJFCYBGSQR-UHFFFAOYSA-N 1 0 376.254 2.891 20 0 GFADRO C[C@@H]([NH2+]CCc1nc(-c2cccc(Cl)c2)no1)C1CCS(=O)(=O)CC1 ZINC000187343853 552412540 /nfs/dbraw/zinc/41/25/40/552412540.db2.gz RJJJXORKFOPTOK-GFCCVEGCSA-N 1 0 383.901 2.735 20 0 GFADRO CCO[C@@H]1C[C@]([NH3+])(C(=O)NC[C@H](O)c2cc(Cl)cc(Cl)c2)C1(C)C ZINC000187811171 552424836 /nfs/dbraw/zinc/42/48/36/552424836.db2.gz LSDNQKZGBNKVPU-VBQJREDUSA-N 1 0 375.296 2.676 20 0 GFADRO Cc1ccc(CC(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)cc1Br ZINC000187886875 552427190 /nfs/dbraw/zinc/42/71/90/552427190.db2.gz CIFLZRUXUNLKNA-QGZVFWFLSA-N 1 0 395.341 2.871 20 0 GFADRO COC[C@H]([NH2+]CCC(=O)Nc1ccc(Br)cc1)C1CCOCC1 ZINC000187913608 552427699 /nfs/dbraw/zinc/42/76/99/552427699.db2.gz JPTVZPLCMDIZHG-INIZCTEOSA-N 1 0 385.302 2.809 20 0 GFADRO C[C@H]1CCCC[N@H+](CC(=O)NCC(=O)Nc2ccccc2Br)C1 ZINC000187907388 552427822 /nfs/dbraw/zinc/42/78/22/552427822.db2.gz UCADHLMXJNNGBO-ZDUSSCGKSA-N 1 0 382.302 2.626 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)NCCC2CC[NH+](C)CC2)cc1Br ZINC000188102468 552435021 /nfs/dbraw/zinc/43/50/21/552435021.db2.gz MAYQBEYYPXXMFA-UHFFFAOYSA-N 1 0 396.329 2.853 20 0 GFADRO CCN(CCC[NH+](C)C)C(=O)C(=O)Nc1cc(Br)c(F)cc1C ZINC000188099299 552435040 /nfs/dbraw/zinc/43/50/40/552435040.db2.gz BANDLFYUPBDZNH-UHFFFAOYSA-N 1 0 388.281 2.635 20 0 GFADRO O=C1CNC(=O)N1CC[NH2+][C@H](CC1CC1)c1cc(F)cc(Br)c1 ZINC000188187346 552438549 /nfs/dbraw/zinc/43/85/49/552438549.db2.gz KCNGSDDSNJZLNZ-CQSZACIVSA-N 1 0 384.249 2.571 20 0 GFADRO CCN(CCC[NH+]1CCCC1)S(=O)(=O)c1ccccc1Br ZINC000188254882 552440609 /nfs/dbraw/zinc/44/06/09/552440609.db2.gz PFOWHGBKZIZWCV-UHFFFAOYSA-N 1 0 375.332 2.946 20 0 GFADRO C[C@@H]1CN(C(=O)c2cc3c(cccc3Br)[nH]2)CC[N@@H+]1CC(C)(C)O ZINC000188613181 552450436 /nfs/dbraw/zinc/45/04/36/552450436.db2.gz RXAGXHQSZKFZSV-GFCCVEGCSA-N 1 0 394.313 2.848 20 0 GFADRO C[C@H](C[NH2+]Cc1ccc(Br)cc1N1CCOCC1)N(C)C1CC1 ZINC000188727403 552453365 /nfs/dbraw/zinc/45/33/65/552453365.db2.gz GITGTNVTUIICTE-CQSZACIVSA-N 1 0 382.346 2.858 20 0 GFADRO O=C(NCC1([NH+]2CCSCC2)CCCC1)c1ncc(Br)s1 ZINC000189089683 552463114 /nfs/dbraw/zinc/46/31/14/552463114.db2.gz KZQMLZUPRXKPAQ-UHFFFAOYSA-N 1 0 390.372 2.997 20 0 GFADRO CC(C)[N@@H+]1CCO[C@H](CN2CCN(C(=O)Nc3ccsc3Cl)CC2)C1 ZINC000189393738 552470171 /nfs/dbraw/zinc/47/01/71/552470171.db2.gz ASFNRKJXHPNVDM-CQSZACIVSA-N 1 0 386.949 2.660 20 0 GFADRO CC[N@H+](C[C@@H](O)COc1ccccc1C(F)(F)F)C[C@H](O)C(F)(F)F ZINC000189516140 552473752 /nfs/dbraw/zinc/47/37/52/552473752.db2.gz YUILSWRUCIHYRC-MFKMUULPSA-N 1 0 375.309 2.690 20 0 GFADRO C[C@@H]1CN(C[C@H](O)COc2ccc(Cl)cc2Cl)CC[N@@H+]1CC(C)(C)O ZINC000189891611 552482304 /nfs/dbraw/zinc/48/23/04/552482304.db2.gz GDRNZZQGMHSFKW-HIFRSBDPSA-N 1 0 391.339 2.510 20 0 GFADRO C[C@@H](CNC(=O)Nc1ccc(Cl)c(S(C)(=O)=O)c1)[N@@H+]1CCC[C@H](C)C1 ZINC000189886846 552482364 /nfs/dbraw/zinc/48/23/64/552482364.db2.gz QUBBFVGQVLBELC-STQMWFEESA-N 1 0 387.933 2.985 20 0 GFADRO CCO[C@@H]1C[C@](CO)([NH2+]CC(=O)Nc2ccccc2Br)C1(C)C ZINC000189958854 552483737 /nfs/dbraw/zinc/48/37/37/552483737.db2.gz SVIRUPXHDJPVIZ-RHSMWYFYSA-N 1 0 385.302 2.543 20 0 GFADRO CCO[C@@H]1C[C@@](CO)([NH2+]CC(=O)Nc2ccc(Br)cc2)C1(C)C ZINC000189967187 552484022 /nfs/dbraw/zinc/48/40/22/552484022.db2.gz VKKYREZJJXTFPE-PBHICJAKSA-N 1 0 385.302 2.543 20 0 GFADRO CN(CC1([NH+](C)C)CCC1)C(=O)NCCOc1ncc(Cl)cc1Cl ZINC000189994946 552484212 /nfs/dbraw/zinc/48/42/12/552484212.db2.gz VWNCVUMKSOSJHU-UHFFFAOYSA-N 1 0 375.300 2.893 20 0 GFADRO CCO[C@@H]1C[C@@](CO)([NH2+]C[C@H](O)COc2c(Cl)cccc2Cl)C1(C)C ZINC000189996365 552484704 /nfs/dbraw/zinc/48/47/04/552484704.db2.gz YHZVFDBVRIDDND-PNPHSEOMSA-N 1 0 392.323 2.889 20 0 GFADRO COC(=O)c1scc(C)c1S(=O)(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000190028567 552485606 /nfs/dbraw/zinc/48/56/06/552485606.db2.gz PXRJXXIRDWEWMS-LBPRGKRZSA-N 1 0 388.555 2.632 20 0 GFADRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)Nc1ccc(F)cc1Br ZINC000190130610 552488279 /nfs/dbraw/zinc/48/82/79/552488279.db2.gz QWTZYEVBLMKVKV-NSHDSACASA-N 1 0 388.281 2.897 20 0 GFADRO CCCN(CCC[NH+](C)C)C(=O)C(=O)Nc1cc(C)cc(Br)c1 ZINC000190159209 552489233 /nfs/dbraw/zinc/48/92/33/552489233.db2.gz MENJJYIPOMRLRA-UHFFFAOYSA-N 1 0 384.318 2.886 20 0 GFADRO COCCN(C)S(=O)(=O)[C@@H]1CCC[N@H+](Cc2csc3ccccc23)C1 ZINC000190369352 552494291 /nfs/dbraw/zinc/49/42/91/552494291.db2.gz TYDODZJCGDPGIL-MRXNPFEDSA-N 1 0 382.551 2.774 20 0 GFADRO Cn1cc([C@@H]2CSCCN2C(=O)NC[C@@H](c2cccs2)[NH+](C)C)cn1 ZINC000190425464 552495894 /nfs/dbraw/zinc/49/58/94/552495894.db2.gz QIQDEGZDQHZTDK-GJZGRUSLSA-N 1 0 379.555 2.584 20 0 GFADRO COCCN1CCC[N@H+](CCCc2ccc(Br)cc2OC)CC1=O ZINC000190779949 552509052 /nfs/dbraw/zinc/50/90/52/552509052.db2.gz GTRSZEYQWOISQG-UHFFFAOYSA-N 1 0 399.329 2.571 20 0 GFADRO Cc1cc(NC(=O)C(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)cc(C)c1Br ZINC000190801738 552509654 /nfs/dbraw/zinc/50/96/54/552509654.db2.gz ZMKNSEKGDQWQAG-CQSZACIVSA-N 1 0 396.329 2.805 20 0 GFADRO O=C(Cc1ccc(I)cc1)NCCC[NH+]1CCCCC1 ZINC000190861671 552511358 /nfs/dbraw/zinc/51/13/58/552511358.db2.gz MQPQEZDTEVAYFA-UHFFFAOYSA-N 1 0 386.277 2.826 20 0 GFADRO Cc1cc(Br)cc(NC(=O)C(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000190868101 552511682 /nfs/dbraw/zinc/51/16/82/552511682.db2.gz CZWABTMPIOWUNJ-DOMZBBRYSA-N 1 0 382.302 2.637 20 0 GFADRO Cc1csc(C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)c1I ZINC000190917051 552513458 /nfs/dbraw/zinc/51/34/58/552513458.db2.gz YHLXFCJDDOGZHD-LLVKDONJSA-N 1 0 390.290 2.971 20 0 GFADRO Cc1cc(Br)cc(NC(=O)C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)c1 ZINC000190950531 552514540 /nfs/dbraw/zinc/51/45/40/552514540.db2.gz DSXBIEFVDSDZFX-CZUORRHYSA-N 1 0 394.313 2.639 20 0 GFADRO C[C@H]1CC[C@@H](C(=O)Nc2ccc(CN3CC[NH+](C)CC3)c(Br)c2)O1 ZINC000191084294 552517949 /nfs/dbraw/zinc/51/79/49/552517949.db2.gz AGUGJJOUYIVLSY-GUYCJALGSA-N 1 0 396.329 2.703 20 0 GFADRO Cn1cc([C@H]2CSCC[N@@H+]2CCC(=O)N2CCc3sccc3C2)cn1 ZINC000191217852 552521384 /nfs/dbraw/zinc/52/13/84/552521384.db2.gz RGLQJJSWDILVJE-MRXNPFEDSA-N 1 0 376.551 2.547 20 0 GFADRO CC1(C)CCC[C@H]1[NH2+]CC(=O)NCC(=O)Nc1ccccc1Br ZINC000191293230 552523747 /nfs/dbraw/zinc/52/37/47/552523747.db2.gz FTWGINNMEMNVAW-CQSZACIVSA-N 1 0 382.302 2.672 20 0 GFADRO O=S(=O)(CCO)c1ccc(C[NH2+]Cc2ccc(Br)s2)cc1 ZINC000191838278 552539373 /nfs/dbraw/zinc/53/93/73/552539373.db2.gz RBCNDPJBUDWTAW-UHFFFAOYSA-N 1 0 390.324 2.566 20 0 GFADRO Cc1c([C@@H](C)[NH2+][C@@H]2CCN(c3cccc(Br)c3)C2=O)cnn1C ZINC000192076387 552549718 /nfs/dbraw/zinc/54/97/18/552549718.db2.gz VCBMQLLWQDXIDL-BDJLRTHQSA-N 1 0 377.286 2.947 20 0 GFADRO COc1cc[nH+]c(N2CCN(C(=O)c3cccc(Br)c3F)CC2)c1 ZINC000192112624 552551048 /nfs/dbraw/zinc/55/10/48/552551048.db2.gz RAEJPZSAIFVEAT-UHFFFAOYSA-N 1 0 394.244 2.954 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)c2cc(Br)nn2C)C1 ZINC000192118007 552551904 /nfs/dbraw/zinc/55/19/04/552551904.db2.gz RWTTXIWPXZSMIM-KGLIPLIRSA-N 1 0 383.334 2.909 20 0 GFADRO COCCC[N@H+](C)CCNC(=O)Nc1c(F)cc(F)cc1Br ZINC000192284005 552558283 /nfs/dbraw/zinc/55/82/83/552558283.db2.gz RQEFNUMHJHACPL-UHFFFAOYSA-N 1 0 380.233 2.817 20 0 GFADRO Cn1nc(Br)cc1C(=O)N(CC[NH+](C)C)Cc1ccccc1F ZINC000192309819 552559502 /nfs/dbraw/zinc/55/95/02/552559502.db2.gz ZLUUQHOLWQSKFT-UHFFFAOYSA-N 1 0 383.265 2.526 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)c(Br)c2)C1 ZINC000192389642 552561522 /nfs/dbraw/zinc/56/15/22/552561522.db2.gz IMSUYMZUFSUOGE-NXEZZACHSA-N 1 0 381.723 2.850 20 0 GFADRO COC(=O)C1CCC([NH2+]C[C@H](O)COc2ccccc2Br)CC1 ZINC000192445813 552563996 /nfs/dbraw/zinc/56/39/96/552563996.db2.gz UZTZFGKRXZPUDX-RUXDESIVSA-N 1 0 386.286 2.510 20 0 GFADRO Cc1c[nH+]ccc1NC[C@@H](O)COc1ccc(I)cc1 ZINC000192559841 552566847 /nfs/dbraw/zinc/56/68/47/552566847.db2.gz YLBSKKSFGKMWMQ-CYBMUJFWSA-N 1 0 384.217 2.846 20 0 GFADRO O=C(NCC1([NH+]2CCSCC2)CCCC1)[C@H]1CCCN1c1nccs1 ZINC000192684753 552971112 /nfs/dbraw/zinc/97/11/12/552971112.db2.gz PVNFGKQOZCKGNL-OAHLLOKOSA-N 1 0 380.583 2.590 20 0 GFADRO C[C@H]1COCCN1CCN1CCO[C@H](c2ccc(F)c(Br)c2)C1 ZINC000192806814 552973926 /nfs/dbraw/zinc/97/39/26/552973926.db2.gz ANLJXBHOMFOXOS-GUYCJALGSA-N 1 0 387.293 2.682 20 0 GFADRO CC[C@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1cc(OC)c(OC)cc1Cl ZINC000192819243 552974463 /nfs/dbraw/zinc/97/44/63/552974463.db2.gz DPJFVMNPRUFUQX-ZDUSSCGKSA-N 1 0 390.933 2.900 20 0 GFADRO O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)C(=O)Nc1ccc(Cl)cn1 ZINC000192831193 552975156 /nfs/dbraw/zinc/97/51/56/552975156.db2.gz YOWQRJWWMQSWHA-ZDUSSCGKSA-N 1 0 378.885 2.688 20 0 GFADRO COc1cc(Cl)c(S(=O)(=O)N[C@H](C)C[NH+]2CCCCC2)cc1OC ZINC000192830751 552975356 /nfs/dbraw/zinc/97/53/56/552975356.db2.gz GXRNCWYTLSKGGD-GFCCVEGCSA-N 1 0 376.906 2.510 20 0 GFADRO Cc1cc(I)ccc1NC(=O)C[NH2+][C@H](CO)C(C)(C)C ZINC000193105242 552983591 /nfs/dbraw/zinc/98/35/91/552983591.db2.gz HBXLLLRPWWGOBC-CYBMUJFWSA-N 1 0 390.265 2.535 20 0 GFADRO C[C@@H](C[NH3+])N(C)S(=O)(=O)c1cc(Br)c(Cl)cc1Cl ZINC000193281952 552988920 /nfs/dbraw/zinc/98/89/20/552988920.db2.gz CYWCBASFQCRBLD-LURJTMIESA-N 1 0 376.103 2.724 20 0 GFADRO CC(C)([NH3+])CNS(=O)(=O)c1ccc(Br)c(Cl)c1Cl ZINC000193296171 552989543 /nfs/dbraw/zinc/98/95/43/552989543.db2.gz BFQCKMZQHKGRHK-UHFFFAOYSA-N 1 0 376.103 2.772 20 0 GFADRO CC1(NC(=O)c2nn(-c3ccc(F)cc3)cc2Br)CC[NH2+]CC1 ZINC000193396597 552992114 /nfs/dbraw/zinc/99/21/14/552992114.db2.gz YWQZSXXQFXGTBL-UHFFFAOYSA-N 1 0 381.249 2.646 20 0 GFADRO C[C@H](SCC[N@H+](C)Cc1ccccc1)C(=O)NC(=O)NCC(F)(F)F ZINC000193627237 552998662 /nfs/dbraw/zinc/99/86/62/552998662.db2.gz LPYOSJRWEUANRC-LBPRGKRZSA-N 1 0 377.432 2.628 20 0 GFADRO C[C@@H](SCC[N@H+](C)Cc1ccccc1)C(=O)NC(=O)NCC(F)(F)F ZINC000193627251 552998793 /nfs/dbraw/zinc/99/87/93/552998793.db2.gz LPYOSJRWEUANRC-GFCCVEGCSA-N 1 0 377.432 2.628 20 0 GFADRO C[N@H+](CCSCCOc1ccc(S(N)(=O)=O)cc1)Cc1ccccc1 ZINC000193631433 552998810 /nfs/dbraw/zinc/99/88/10/552998810.db2.gz RTRPYNGNSKSEGH-UHFFFAOYSA-N 1 0 380.535 2.578 20 0 GFADRO C[NH+]1CCC2(CC1)C[C@@H](NC(=O)[C@@H]1CSCCS1)c1ccccc1O2 ZINC000193974625 553008543 /nfs/dbraw/zinc/00/85/43/553008543.db2.gz JDUADQWNEJJZLU-WBVHZDCISA-N 1 0 378.563 2.939 20 0 GFADRO CC[C@@H]([NH2+]C1CC(c2ccc(Br)cc2)C1)C(=O)N1CCOCC1 ZINC000194072187 553010945 /nfs/dbraw/zinc/01/09/45/553010945.db2.gz ILRRAOYWJMZXIC-BDVYOWHSSA-N 1 0 381.314 2.922 20 0 GFADRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2Cc3cc(Br)ccc3O2)C1 ZINC000194199050 553014308 /nfs/dbraw/zinc/01/43/08/553014308.db2.gz QMGJMKNDOSUKFY-DYVFJYSZSA-N 1 0 381.314 2.989 20 0 GFADRO C[NH+](C)CCC1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000194378270 553019278 /nfs/dbraw/zinc/01/92/78/553019278.db2.gz SNPBMHXNHSNEKD-UHFFFAOYSA-N 1 0 375.332 2.802 20 0 GFADRO O=S(=O)(c1sccc1Br)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000194933996 553034321 /nfs/dbraw/zinc/03/43/21/553034321.db2.gz CNUJBVUNUWDQOK-LLVKDONJSA-N 1 0 379.345 2.760 20 0 GFADRO CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)[C@H]([NH3+])CCSC ZINC000195141762 553039217 /nfs/dbraw/zinc/03/92/17/553039217.db2.gz UXIOZSCEBGKNEP-GFCCVEGCSA-N 1 0 378.325 2.861 20 0 GFADRO C[NH+](C)Cc1ccc(C(=O)NCC(=O)Nc2ccc(Br)cc2)cc1 ZINC000195482085 553050313 /nfs/dbraw/zinc/05/03/13/553050313.db2.gz DYCDOIIPWZWHOR-UHFFFAOYSA-N 1 0 390.281 2.879 20 0 GFADRO C[C@@H]1CN(C(=O)c2ccc(F)cc2I)C[C@H](C)N1C ZINC000219281256 553054449 /nfs/dbraw/zinc/05/44/49/553054449.db2.gz SWCWKRAUFADXHM-AOOOYVTPSA-N 1 0 376.213 2.595 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(I)c(Cl)c1 ZINC000226780451 553061989 /nfs/dbraw/zinc/06/19/89/553061989.db2.gz XAQUUYRQGHBNRB-SNVBAGLBSA-N 1 0 390.652 2.911 20 0 GFADRO COC(=O)c1ccc(S(=O)(=O)NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)c(Cl)c1 ZINC000228738927 553063688 /nfs/dbraw/zinc/06/36/88/553063688.db2.gz ZORGZZPGTWINHI-CHWSQXEVSA-N 1 0 388.917 2.525 20 0 GFADRO Cc1cc(S(=O)(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)sc1Br ZINC000228541066 553063710 /nfs/dbraw/zinc/06/37/10/553063710.db2.gz VLNLFWICDOXQDE-HBNTYKKESA-N 1 0 379.345 2.567 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)c3csc(I)c3)C[C@@H]21 ZINC000230068875 553064419 /nfs/dbraw/zinc/06/44/19/553064419.db2.gz ZHVAXWKIXWDAHK-DVVUODLYSA-N 1 0 376.263 2.552 20 0 GFADRO CC[C@H]1C[N@H+](C)CCCN1S(=O)(=O)c1ccc(Br)cc1F ZINC000234110063 553067504 /nfs/dbraw/zinc/06/75/04/553067504.db2.gz MAFHOLSTCXJFEI-LBPRGKRZSA-N 1 0 379.295 2.693 20 0 GFADRO C[C@H](CNS(=O)(=O)c1ccc(Cl)c(Br)c1)[NH+]1CCCC1 ZINC000235483683 553068625 /nfs/dbraw/zinc/06/86/25/553068625.db2.gz AAQOWQLYAUHECG-SNVBAGLBSA-N 1 0 381.723 2.865 20 0 GFADRO O=C(N[C@H]1CCN(c2ccccc2Br)C1)[C@@H]1CC12CC[NH2+]CC2 ZINC000236581524 553069272 /nfs/dbraw/zinc/06/92/72/553069272.db2.gz JCLHDHIEPOKWMP-KBPBESRZSA-N 1 0 378.314 2.534 20 0 GFADRO O=C(Cc1csc(-c2cccc(Br)c2)n1)N[C@@H]1CCC[NH2+]C1 ZINC000236580566 553069447 /nfs/dbraw/zinc/06/94/47/553069447.db2.gz ZEYZSNDYDVJWAR-CYBMUJFWSA-N 1 0 380.311 2.983 20 0 GFADRO CC(C)C[C@@H](C[NH3+])NC(=O)c1cc(F)c(F)cc1I ZINC000236654098 553070480 /nfs/dbraw/zinc/07/04/80/553070480.db2.gz JEGZCTZYSLQMEB-QMMMGPOBSA-N 1 0 382.192 2.673 20 0 GFADRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000236766942 553070745 /nfs/dbraw/zinc/07/07/45/553070745.db2.gz BWUOSPNAMAADFE-CVEARBPZSA-N 1 0 396.329 2.634 20 0 GFADRO CCC([NH3+])(CC)CNC(=O)c1nnn(-c2cccc(Br)c2)c1C ZINC000236843403 553072449 /nfs/dbraw/zinc/07/24/49/553072449.db2.gz NPYWMPYVEFFKKV-UHFFFAOYSA-N 1 0 380.290 2.586 20 0 GFADRO CCOc1cc(Br)c(CC(=O)N2CCC(C[NH3+])CC2)cc1OCC ZINC000236878224 553072473 /nfs/dbraw/zinc/07/24/73/553072473.db2.gz AAYSUUGGEBRSRD-UHFFFAOYSA-N 1 0 399.329 2.986 20 0 GFADRO CCOc1cc(Br)c(CC(=O)NC[C@H]2CCC[NH2+]C2)cc1OCC ZINC000236879616 553072938 /nfs/dbraw/zinc/07/29/38/553072938.db2.gz UPDQYVHDNZQDQY-ZDUSSCGKSA-N 1 0 399.329 2.905 20 0 GFADRO CC[NH2+]CCNC(=O)[C@H](CCSC)NC(=O)c1ccc(Cl)cc1Cl ZINC000236947206 553073045 /nfs/dbraw/zinc/07/30/45/553073045.db2.gz WXGPDPJFFKJUGM-AWEZNQCLSA-N 1 0 392.352 2.571 20 0 GFADRO CC[NH2+]CC1CCN(S(=O)(=O)c2cccc(C)c2Br)CC1 ZINC000237054735 553074367 /nfs/dbraw/zinc/07/43/67/553074367.db2.gz FYVUXERHSKVVKG-UHFFFAOYSA-N 1 0 375.332 2.768 20 0 GFADRO C[NH2+]C[C@H]1CCCN1C(=O)[C@H](CCOC)Cc1cccc(Br)c1 ZINC000237246000 553076041 /nfs/dbraw/zinc/07/60/41/553076041.db2.gz AMKXDFJSTYHBSU-NVXWUHKLSA-N 1 0 383.330 2.855 20 0 GFADRO C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)C1 ZINC000237236242 553076126 /nfs/dbraw/zinc/07/61/26/553076126.db2.gz BAHBQLRPMLBHQV-JSGCOSHPSA-N 1 0 384.307 2.804 20 0 GFADRO COc1cc(CNCc2cc(F)ccc2Br)ccc1OCC(N)=O ZINC000237299333 553076401 /nfs/dbraw/zinc/07/64/01/553076401.db2.gz RTVVOAQFXDPFKJ-UHFFFAOYSA-N 1 0 397.244 2.751 20 0 GFADRO C[C@@H](C[NH3+])CNC(=O)c1cccc(NC(=O)c2ccc(Br)o2)c1 ZINC000237395610 553077032 /nfs/dbraw/zinc/07/70/32/553077032.db2.gz MFUUFZFITMSMQT-JTQLQIEISA-N 1 0 380.242 2.619 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)c2nn(-c3ccc(F)cc3)cc2Br)C1 ZINC000237376757 553077292 /nfs/dbraw/zinc/07/72/92/553077292.db2.gz HTAGAIBZIGIWIJ-NEPJUHHUSA-N 1 0 395.276 2.973 20 0 GFADRO C[C@@H](NC(=O)[C@H]1CC12CC[NH2+]CC2)c1cc2c(cc1Br)OCCO2 ZINC000237426064 553077675 /nfs/dbraw/zinc/07/76/75/553077675.db2.gz YCODNGKCEJUWNW-DGCLKSJQSA-N 1 0 395.297 2.787 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)c1cc(F)c(F)cc1I ZINC000237552686 553078908 /nfs/dbraw/zinc/07/89/08/553078908.db2.gz BOQZUUWEAKXIFE-ISVAXAHUSA-N 1 0 394.203 2.911 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)CCC1CC[NH2+]CC1 ZINC000237567544 553079368 /nfs/dbraw/zinc/07/93/68/553079368.db2.gz YXVQFKSFDIGDKY-UHFFFAOYSA-N 1 0 382.302 2.592 20 0 GFADRO C[C@H]1C[NH2+]CCN1C(=O)Cc1csc(-c2cccc(Br)c2)n1 ZINC000237626360 553080157 /nfs/dbraw/zinc/08/01/57/553080157.db2.gz WMAUNLZZUQDPNH-NSHDSACASA-N 1 0 380.311 2.935 20 0 GFADRO O=C(C[NH2+]C[C@@H]1CCCO1)N1CCO[C@@H](c2cc(F)c(Cl)cc2Cl)C1 ZINC000237709569 553081233 /nfs/dbraw/zinc/08/12/33/553081233.db2.gz RHYCYINEWWOKDK-MEDUHNTESA-N 1 0 391.270 2.801 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CNC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000237791847 553081673 /nfs/dbraw/zinc/08/16/73/553081673.db2.gz YZUOSKDHTUSACL-LQDVMPOASA-N 1 0 394.313 2.733 20 0 GFADRO [NH3+]C[C@H]1CCC[C@@H]1NC(=O)c1nn(-c2ccc(F)cc2)cc1Br ZINC000237801895 553082349 /nfs/dbraw/zinc/08/23/49/553082349.db2.gz RHWKQWBKGOVLIO-YGRLFVJLSA-N 1 0 381.249 2.631 20 0 GFADRO [NH3+]CC1CCN(C(=O)[C@H]2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000237807871 553082366 /nfs/dbraw/zinc/08/23/66/553082366.db2.gz WDVCZXXDNQNBKP-MRXNPFEDSA-N 1 0 384.307 2.795 20 0 GFADRO [NH3+]C1(CNC(=O)c2ccc(F)cc2I)CCCCC1 ZINC000237839338 553082791 /nfs/dbraw/zinc/08/27/91/553082791.db2.gz ZKQUTDDSZJARCR-UHFFFAOYSA-N 1 0 376.213 2.822 20 0 GFADRO O=C(NC[C@@H]1CCCC[NH2+]1)[C@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 ZINC000237833341 553083044 /nfs/dbraw/zinc/08/30/44/553083044.db2.gz AACQSHMWEITVMO-JKSUJKDBSA-N 1 0 384.307 2.856 20 0 GFADRO [NH3+][C@@H]1CC[C@@H](C(=O)NC2CCN(Cc3ccc(Br)cc3)CC2)C1 ZINC000237937934 553084018 /nfs/dbraw/zinc/08/40/18/553084018.db2.gz JPNYNXHIRSKNPS-GDBMZVCRSA-N 1 0 380.330 2.657 20 0 GFADRO [NH3+]CCCC(=O)Nc1ccc(Br)c(I)c1 ZINC000237938571 553084052 /nfs/dbraw/zinc/08/40/52/553084052.db2.gz UIXSYYRBRIYWGD-UHFFFAOYSA-N 1 0 383.027 2.731 20 0 GFADRO [NH3+][C@@H]1CC[C@H](C(=O)NCC2(c3cccc(Br)c3)CCOCC2)C1 ZINC000237958668 553084470 /nfs/dbraw/zinc/08/44/70/553084470.db2.gz ONYWPWXOUIBDBH-XJKSGUPXSA-N 1 0 381.314 2.741 20 0 GFADRO O=C(CSc1cccs1)Nc1ccc(C(=O)N2CCC[NH2+]CC2)cc1 ZINC000238033528 553085311 /nfs/dbraw/zinc/08/53/11/553085311.db2.gz ZKKJBNRMAZBJJL-UHFFFAOYSA-N 1 0 375.519 2.914 20 0 GFADRO COc1ccc(Cl)cc1N1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2S(C)(=O)=O)C1 ZINC000245615012 553094425 /nfs/dbraw/zinc/09/44/25/553094425.db2.gz MJWGKBVBHCPLGS-HDMKZQKVSA-N 1 0 386.945 2.873 20 0 GFADRO O[C@@H](C[N@@H+]1CCCC[C@H]1CN1CCOCC1)c1cccc(Br)c1 ZINC000245817715 553097807 /nfs/dbraw/zinc/09/78/07/553097807.db2.gz SKVFDKTXNMZFKD-ROUUACIJSA-N 1 0 383.330 2.669 20 0 GFADRO CN(C)C(=O)[C@@H]1CC[C@H](C[NH2+][C@H]2CCCOc3ccc(Br)cc32)O1 ZINC000245979321 553100292 /nfs/dbraw/zinc/10/02/92/553100292.db2.gz ASELNFLFASXGSW-KMFMINBZSA-N 1 0 397.313 2.888 20 0 GFADRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)NCCc2nc(C(F)(F)F)cs2)C1 ZINC000246019787 553101042 /nfs/dbraw/zinc/10/10/42/553101042.db2.gz UXFMPGJQDFRPMO-NWDGAFQWSA-N 1 0 376.448 2.830 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)Nc2ccc(Br)cc2)CC1=O ZINC000246420066 553107890 /nfs/dbraw/zinc/10/78/90/553107890.db2.gz MADIHLMGNXCTRL-BBRMVZONSA-N 1 0 394.313 2.720 20 0 GFADRO C[C@H](CS(C)(=O)=O)N(C[C@@H](O)Cc1ccccc1C(F)(F)F)C1CC1 ZINC000246635592 553110650 /nfs/dbraw/zinc/11/06/50/553110650.db2.gz JHXDLYGUUPXRGI-DOMZBBRYSA-N 1 0 379.444 2.506 20 0 GFADRO COC(=O)[C@@]1(C)CC[N@@H+]([C@@H](C)C(=O)N(C)Cc2ccc(Br)cc2)C1 ZINC000246651949 553111330 /nfs/dbraw/zinc/11/13/30/553111330.db2.gz XKUOKAATMJQNGF-UGSOOPFHSA-N 1 0 397.313 2.681 20 0 GFADRO O=C1C[C@H]([N@@H+]2CC[C@@H]3OCCC[C@H]3C2)C(=O)N1c1ccc(Br)cc1 ZINC000246980675 553116358 /nfs/dbraw/zinc/11/63/58/553116358.db2.gz OISZCDFRAVVTBJ-RCBQFDQVSA-N 1 0 393.281 2.582 20 0 GFADRO O[C@H](COc1ccc(Br)cc1)CN1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000246956941 553116404 /nfs/dbraw/zinc/11/64/04/553116404.db2.gz AXLMYTBBNAJMHW-WMZOPIPTSA-N 1 0 397.357 2.997 20 0 GFADRO C[N@H+](C[C@@H](O)COc1ccc(Cl)cc1Br)C[C@@H]1CCOC1 ZINC000247038287 553118266 /nfs/dbraw/zinc/11/82/66/553118266.db2.gz MTXISPORDRNIBU-WCQYABFASA-N 1 0 378.694 2.811 20 0 GFADRO CCN(CC)S(=O)(=O)c1ccc(CC[NH2+][C@H]2CC[N@H+](CC)C[C@@H]2C)s1 ZINC000247104406 553118963 /nfs/dbraw/zinc/11/89/63/553118963.db2.gz SODCTSMTCMSWEW-RDJZCZTQSA-N 1 0 387.615 2.641 20 0 GFADRO CNC(=O)[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc(Br)c(C)c2)C1 ZINC000247498814 553122832 /nfs/dbraw/zinc/12/28/32/553122832.db2.gz HWJNXAVTQOKCSU-QWHCGFSZSA-N 1 0 382.302 2.543 20 0 GFADRO Cc1ccc(Br)c(S(=O)(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000247690607 553125234 /nfs/dbraw/zinc/12/52/34/553125234.db2.gz QZJNGFXUTXYABF-STQMWFEESA-N 1 0 375.332 2.861 20 0 GFADRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2S(=O)(=O)c2ccc(Br)cc2F)C1 ZINC000248481969 553130405 /nfs/dbraw/zinc/13/04/05/553130405.db2.gz SVULVUJGMZQSBA-SMDDNHRTSA-N 1 0 391.306 2.693 20 0 GFADRO C[C@H](O)[C@H]1CC[N@H+](C[C@@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000248534996 553130450 /nfs/dbraw/zinc/13/04/50/553130450.db2.gz GJONQJGIXKNRAO-GMXVVIOVSA-N 1 0 378.694 2.545 20 0 GFADRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)CCC[S@](=O)c1ccc(Br)cc1 ZINC000248880333 553136522 /nfs/dbraw/zinc/13/65/22/553136522.db2.gz SFLFGUNYERNYBU-LAKHIVPPSA-N 1 0 387.343 2.594 20 0 GFADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)Nc1ccsc1Cl ZINC000249010970 553137752 /nfs/dbraw/zinc/13/77/52/553137752.db2.gz XULJMINRWBGMLC-IUODEOHRSA-N 1 0 377.897 2.977 20 0 GFADRO Cc1cccc(NC(=O)C(=O)NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)c1Br ZINC000249066298 553138309 /nfs/dbraw/zinc/13/83/09/553138309.db2.gz ZMMMPAPOQQPYQL-OCCSQVGLSA-N 1 0 396.329 2.933 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(Br)cc2)[C@@H](C)C1 ZINC000249165407 553140189 /nfs/dbraw/zinc/14/01/89/553140189.db2.gz KATKNQZISYVWOJ-SWLSCSKDSA-N 1 0 382.302 2.576 20 0 GFADRO C[C@H](O)C[N@@H+]1CCN(Cc2coc(-c3ccc(Br)cc3)n2)[C@@H](C)C1 ZINC000249289262 553141709 /nfs/dbraw/zinc/14/17/09/553141709.db2.gz PCVHKKHBEKUBEY-KBPBESRZSA-N 1 0 394.313 2.991 20 0 GFADRO O[C@@H]1[C@H]2C[C@H]3C[N@H+](Cc4cc(Br)c5c(c4)OCCCO5)[C@H]1[C@H]3C2 ZINC000249653188 553145218 /nfs/dbraw/zinc/14/52/18/553145218.db2.gz YULJWOPGBNIIBT-UCQBOQSVSA-N 1 0 380.282 2.812 20 0 GFADRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)[C@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 ZINC000250093968 553147172 /nfs/dbraw/zinc/14/71/72/553147172.db2.gz QMTXPEMNNXVAHX-XFBWCDHKSA-N 1 0 384.307 2.712 20 0 GFADRO COC[C@@H]1C[N@H+](CCC(=O)Nc2ccc(Br)cc2F)C[C@H](C)O1 ZINC000251523599 553148070 /nfs/dbraw/zinc/14/80/70/553148070.db2.gz CVUHFAVQEPAHHI-AAEUAGOBSA-N 1 0 389.265 2.653 20 0 GFADRO C[C@H](CC(=O)Nc1ccc(Br)cc1)[N@H+](C)[C@H](C)C[S@](C)=O ZINC000251673141 553148672 /nfs/dbraw/zinc/14/86/72/553148672.db2.gz MDSDAXHTTMXTGM-ZSMADZGOSA-N 1 0 375.332 2.865 20 0 GFADRO CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1C[C@@H](O)COc1ccc(Br)cc1 ZINC000253359682 553151030 /nfs/dbraw/zinc/15/10/30/553151030.db2.gz YXMBOXSZTGBOBG-WBVHZDCISA-N 1 0 399.329 2.522 20 0 GFADRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)c3cc(=O)[nH]c4c(Br)cccc34)C[C@H]12 ZINC000253559694 553151664 /nfs/dbraw/zinc/15/16/64/553151664.db2.gz BGONGMCHKXNOCP-LJWDBELGSA-N 1 0 376.254 2.512 20 0 GFADRO O=C(c1cc(Br)sc1Br)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261584698 553153596 /nfs/dbraw/zinc/15/35/96/553153596.db2.gz SNOAIEIIUGWESV-YUMQZZPRSA-N 1 0 394.132 2.955 20 0 GFADRO Cc1cc(C)c(CNC(=O)[C@@](C)([NH3+])c2ccc(Br)cc2)c(=O)[nH]1 ZINC000261651671 553155031 /nfs/dbraw/zinc/15/50/31/553155031.db2.gz DNKPCZWSSRHJJJ-KRWDZBQOSA-N 1 0 378.270 2.657 20 0 GFADRO C[C@H]([NH3+])CC(=O)N1CCC[C@@H]1c1nc(Cc2ccc(Br)cc2)no1 ZINC000261674805 553155937 /nfs/dbraw/zinc/15/59/37/553155937.db2.gz AXBZSLQLKAKJDW-SMDDNHRTSA-N 1 0 393.285 2.824 20 0 GFADRO [NH3+][C@@H]1CCC[C@H]2CN(S(=O)(=O)c3c(Cl)cccc3Br)C[C@@H]21 ZINC000261696495 553156866 /nfs/dbraw/zinc/15/68/66/553156866.db2.gz NUMXKLALVRDTKH-OUJBWJOFSA-N 1 0 393.734 2.850 20 0 GFADRO C[C@@H](O)c1ccc(CNC(=O)[C@@](C)([NH3+])c2ccc(Br)cc2)cc1 ZINC000261722695 553157304 /nfs/dbraw/zinc/15/73/04/553157304.db2.gz KGMSXGGUYMXHKB-XIKOKIGWSA-N 1 0 377.282 2.993 20 0 GFADRO Cc1cnn([C@H]2CCCN(C(=O)[C@](C)([NH3+])c3ccc(Br)cc3)C2)c1 ZINC000261746880 553157880 /nfs/dbraw/zinc/15/78/80/553157880.db2.gz MIFAFHOIIJBYAA-FUHWJXTLSA-N 1 0 391.313 2.992 20 0 GFADRO [NH3+]C[C@H]1CC[C@@H](C(=O)N2CCO[C@@H](c3cc(F)c(Cl)cc3Cl)C2)O1 ZINC000261752660 553157898 /nfs/dbraw/zinc/15/78/98/553157898.db2.gz DWLFXNYBSYSHKQ-TURNYIBQSA-N 1 0 377.243 2.539 20 0 GFADRO Ic1ccc(CN2CC[NH2+]C[C@H]2c2cccnc2)cc1 ZINC000261766284 553158786 /nfs/dbraw/zinc/15/87/86/553158786.db2.gz OKZBPWPENMGXDF-INIZCTEOSA-N 1 0 379.245 2.833 20 0 GFADRO C[C@@]([NH3+])(C(=O)NCCOCc1ccccc1)c1ccc(Br)cc1 ZINC000261853553 553161330 /nfs/dbraw/zinc/16/13/30/553161330.db2.gz WCKFPRMCFVKEJN-SFHVURJKSA-N 1 0 377.282 2.956 20 0 GFADRO O=C(CC[C@@H]1CC[NH2+]C1)Nc1cc(Br)ccc1N1CCOCC1 ZINC000261872121 553161824 /nfs/dbraw/zinc/16/18/24/553161824.db2.gz QWJLBKAYRQYKQJ-CYBMUJFWSA-N 1 0 382.302 2.614 20 0 GFADRO Cc1ccc(NC(=O)CN2CC[NH2+]C[C@H]2c2cccnc2)c(Br)c1 ZINC000261883301 553161875 /nfs/dbraw/zinc/16/18/75/553161875.db2.gz YSKQBGWPTCLVCP-KRWDZBQOSA-N 1 0 389.297 2.738 20 0 GFADRO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000261890968 553162293 /nfs/dbraw/zinc/16/22/93/553162293.db2.gz VIEPMYNNOAVHMS-KCQAQPDRSA-N 1 0 390.933 2.644 20 0 GFADRO COc1ccc(Br)cc1C(=O)CCC(=O)N1C[C@@H](C[NH3+])C[C@@H]1C ZINC000261897161 553162309 /nfs/dbraw/zinc/16/23/09/553162309.db2.gz WCCLFFWTVGFOQU-NWDGAFQWSA-N 1 0 383.286 2.616 20 0 GFADRO [NH3+]CCC(=O)NC[C@@H]1CCCCN1Cc1ccc(OC(F)F)c(Cl)c1 ZINC000261931393 553163081 /nfs/dbraw/zinc/16/30/81/553163081.db2.gz CUOCVCWHGKSOSK-ZDUSSCGKSA-N 1 0 375.847 2.761 20 0 GFADRO [NH3+][C@H](CNC(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1)C1CC1 ZINC000261963299 553163556 /nfs/dbraw/zinc/16/35/56/553163556.db2.gz SGBJNKKQUZIXDC-CZUORRHYSA-N 1 0 384.307 2.699 20 0 GFADRO C[C@H]([NH3+])c1ccc(CNS(=O)(=O)N(C)Cc2c(F)cccc2Cl)cc1 ZINC000262042541 553164881 /nfs/dbraw/zinc/16/48/81/553164881.db2.gz LLMRBUFKLAAODA-LBPRGKRZSA-N 1 0 385.892 2.965 20 0 GFADRO O=C(NC[C@H]1CCCN(Cc2csc(Br)c2)C1)[C@@H]1CCC[NH2+]1 ZINC000262085619 553165761 /nfs/dbraw/zinc/16/57/61/553165761.db2.gz HNXCSYZXVZLEIG-OCCSQVGLSA-N 1 0 386.359 2.591 20 0 GFADRO C[C@H](Sc1ccccc1Cl)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000262183386 553166973 /nfs/dbraw/zinc/16/69/73/553166973.db2.gz ZFOUKBADJMRXRS-SMDDNHRTSA-N 1 0 395.878 2.773 20 0 GFADRO CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H](c1ccsc1)c1ccc(Cl)cc1 ZINC000262260713 553168210 /nfs/dbraw/zinc/16/82/10/553168210.db2.gz XPAJHZIGAIAZCF-DLBZAZTESA-N 1 0 379.913 2.707 20 0 GFADRO O=S(=O)(NC[C@@H]1[NH2+]CCc2ccccc21)c1ccccc1Br ZINC000262479586 553171254 /nfs/dbraw/zinc/17/12/54/553171254.db2.gz JXHXKBYVZQHYQF-HNNXBMFYSA-N 1 0 381.295 2.614 20 0 GFADRO O=C(CCc1ncc(-c2ccccc2Br)o1)NC1CC[NH2+]CC1 ZINC000262518241 553172040 /nfs/dbraw/zinc/17/20/40/553172040.db2.gz UNDMVCXQNRGCPE-UHFFFAOYSA-N 1 0 378.270 2.905 20 0 GFADRO O=C(NCC[C@@H]1CC[NH2+]C1)c1ccc(I)cc1Cl ZINC000262592045 553172987 /nfs/dbraw/zinc/17/29/87/553172987.db2.gz RUVKSVMWHOVLRP-VIFPVBQESA-N 1 0 378.641 2.674 20 0 GFADRO O=C(NCC[C@H]1CC[NH2+]C1)[C@@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 ZINC000262589019 553173002 /nfs/dbraw/zinc/17/30/02/553173002.db2.gz QFMUWLNFMTXSRO-WBMJQRKESA-N 1 0 384.307 2.714 20 0 GFADRO O=C(c1ccn([C@H]2CCC[NH2+]C2)n1)N1CCc2cc(Br)ccc21 ZINC000262651794 553173375 /nfs/dbraw/zinc/17/33/75/553173375.db2.gz JMPRCLCDWFHTRQ-AWEZNQCLSA-N 1 0 375.270 2.773 20 0 GFADRO O=C(NCCc1cc(Br)ccc1F)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000262809638 553176109 /nfs/dbraw/zinc/17/61/09/553176109.db2.gz QCDMJEJCRKADJM-CQSZACIVSA-N 1 0 395.276 2.682 20 0 GFADRO C[C@H]1[NH2+]CCN(C(=O)c2ccc(I)cc2Cl)[C@@H]1C ZINC000262793401 553176359 /nfs/dbraw/zinc/17/63/59/553176359.db2.gz NFKHFJIEYHLKBL-RKDXNWHRSA-N 1 0 378.641 2.767 20 0 GFADRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)[C@@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1 ZINC000262794465 553176468 /nfs/dbraw/zinc/17/64/68/553176468.db2.gz NGISRVOXRXPIDH-RLCCDNCMSA-N 1 0 384.307 2.712 20 0 GFADRO C[C@@H]1[NH2+]CCN(S(=O)(=O)c2c(Cl)cc(F)cc2Br)[C@H]1C ZINC000262816693 553176911 /nfs/dbraw/zinc/17/69/11/553176911.db2.gz ZIWKMCRLHDLHNZ-YUMQZZPRSA-N 1 0 385.686 2.613 20 0 GFADRO CCOc1cc(Br)c(CC(=O)N2CC[NH2+][C@@H](C)[C@H]2C)cc1OCC ZINC000262850358 553177255 /nfs/dbraw/zinc/17/72/55/553177255.db2.gz ZMVKUQHSTGDCED-QWHCGFSZSA-N 1 0 399.329 2.998 20 0 GFADRO C[C@H]1C[C@@H](NC(=O)c2ccc(Cl)c(I)c2)CC[NH2+]1 ZINC000262955456 553179519 /nfs/dbraw/zinc/17/95/19/553179519.db2.gz VVXPUTUGZUEVGG-WPRPVWTQSA-N 1 0 378.641 2.815 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)[C@@H]2CCCN2C(=O)c2ccc(Cl)c(Cl)c2)CC[NH2+]1 ZINC000262956560 553179541 /nfs/dbraw/zinc/17/95/41/553179541.db2.gz WCAJXJNGDWZMTD-FFSVYQOJSA-N 1 0 384.307 2.855 20 0 GFADRO CCN(Cc1cccc(Br)c1)C(=O)CCN1CC[NH+](CC)CC1 ZINC000263648777 553190293 /nfs/dbraw/zinc/19/02/93/553190293.db2.gz FGJPYCRMTIRLRW-UHFFFAOYSA-N 1 0 382.346 2.825 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)N[C@H](C)CC[NH+](C)C ZINC000263738965 553192445 /nfs/dbraw/zinc/19/24/45/553192445.db2.gz ODGSTPVVFCOSEV-CYBMUJFWSA-N 1 0 399.333 2.726 20 0 GFADRO COc1cc(C[NH2+]CC[C@H](C)OC)cc(I)c1OC ZINC000263822830 553193897 /nfs/dbraw/zinc/19/38/97/553193897.db2.gz QRKIKLOGSNUFKB-JTQLQIEISA-N 1 0 379.238 2.823 20 0 GFADRO Cc1ccc(Br)cc1S(=O)(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000416558023 563848411 /nfs/dbraw/zinc/84/84/11/563848411.db2.gz HVISLXWFFSBQKJ-ZDUSSCGKSA-N 1 0 375.332 2.768 20 0 GFADRO CC(C)([NH3+])CNC(=O)NCCOc1ccc(Br)cc1C(F)(F)F ZINC000417957405 563892920 /nfs/dbraw/zinc/89/29/20/563892920.db2.gz UHNYMWRNMATFQU-UHFFFAOYSA-N 1 0 398.223 2.883 20 0 GFADRO [NH3+]CC[C@@H](NC(=O)NCc1cc2cc(Br)ccc2[nH]1)C(F)F ZINC000418034417 563896520 /nfs/dbraw/zinc/89/65/20/563896520.db2.gz OLTDUXBFVHXIRA-GFCCVEGCSA-N 1 0 375.217 2.712 20 0 GFADRO Fc1cc(Br)cc(CN2CC[C@H](C[NH+]3CCOCC3)C2)c1F ZINC000563218452 564180021 /nfs/dbraw/zinc/18/00/21/564180021.db2.gz YGUILSAIJFHYBB-GFCCVEGCSA-N 1 0 375.257 2.881 20 0 GFADRO C[C@@H]([NH2+]C[C@@H]1CCCCN1S(C)(=O)=O)c1cccc(Br)c1 ZINC000507209331 564222075 /nfs/dbraw/zinc/22/20/75/564222075.db2.gz GUXXITWXCAEALP-DOMZBBRYSA-N 1 0 375.332 2.914 20 0 GFADRO CC[NH+](CC)[C@H](C)CNC(=O)N[C@@H](CCO)c1ccccc1Br ZINC000472485645 564224775 /nfs/dbraw/zinc/22/47/75/564224775.db2.gz OFYFZIABCZXMII-CJNGLKHVSA-N 1 0 386.334 2.902 20 0 GFADRO CCC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1cccc(C)c1Br ZINC000510962894 564351567 /nfs/dbraw/zinc/35/15/67/564351567.db2.gz ANSBNTWHRBBBOF-ZDUSSCGKSA-N 1 0 375.332 2.910 20 0 GFADRO CS(=O)(=O)[C@@H]1CCC[C@@H]([NH2+][C@H](CCO)c2ccccc2Br)C1 ZINC000512350201 564398780 /nfs/dbraw/zinc/39/87/80/564398780.db2.gz JOIHGBYXXHQNPV-XJKCOSOUSA-N 1 0 390.343 2.818 20 0 GFADRO C[C@@H](CCO)CC[NH2+][C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000453231635 564449332 /nfs/dbraw/zinc/44/93/32/564449332.db2.gz IQBXMSVCFRCXOR-RISCZKNCSA-N 1 0 376.316 2.666 20 0 GFADRO Ic1cnc(N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)nc1 ZINC000546622496 564461875 /nfs/dbraw/zinc/46/18/75/564461875.db2.gz NAVYGUZVLKUSKT-BXUZGUMPSA-N 1 0 384.265 2.534 20 0 GFADRO C[NH+](C)[C@]1(CNC(=O)c2csc(I)c2)CCSC1 ZINC000480365789 564470088 /nfs/dbraw/zinc/47/00/88/564470088.db2.gz QEFKCEXICTZQNT-LBPRGKRZSA-N 1 0 396.319 2.520 20 0 GFADRO C[C@H](CCC[NH3+])NC(=O)Cc1ccc(Br)c(Br)c1 ZINC000662567426 565376760 /nfs/dbraw/zinc/37/67/60/565376760.db2.gz DRYMDAKGTSSWDF-SECBINFHSA-N 1 0 378.108 2.998 20 0 GFADRO CC(C)Cc1ncnc(NC[C@H]2CCC[C@@H]([NH3+])C2)c1I ZINC000420279185 563261671 /nfs/dbraw/zinc/26/16/71/563261671.db2.gz JXJITOXNEQEIFK-NWDGAFQWSA-N 1 0 388.297 3.209 20 0 GFADRO Cc1nn(C)c(C[NH2+]CCCCNC(=O)OC(C)(C)C)c1Br ZINC000279217242 563287751 /nfs/dbraw/zinc/28/77/51/563287751.db2.gz WWLRVWDHRFOTTQ-UHFFFAOYSA-N 1 0 375.311 2.886 20 0 GFADRO C[C@H](CNS(=O)(=O)c1c(Cl)cccc1Br)[N@H+](C)C1CC1 ZINC000312834992 563436626 /nfs/dbraw/zinc/43/66/26/563436626.db2.gz KAOOJJSAQOBWHN-SECBINFHSA-N 1 0 381.723 2.864 20 0 GFADRO CS(=O)(=O)N1CCC([NH2+][C@H]2CCc3sc(Br)cc32)CC1 ZINC000312648264 563437013 /nfs/dbraw/zinc/43/70/13/563437013.db2.gz IZNHOJAOZKRTEL-NSHDSACASA-N 1 0 379.345 2.512 20 0 GFADRO CCS(=O)(=O)NCCC[NH2+][C@@H]1c2cccc(Br)c2CC1(C)C ZINC000429407541 563516010 /nfs/dbraw/zinc/51/60/10/563516010.db2.gz OPFHZPIVVKBWEI-OAHLLOKOSA-N 1 0 389.359 2.992 20 0 GFADRO CSc1ccc([C@@H](CNC(=O)CCSc2n[nH]c(C)n2)[NH+](C)C)cc1 ZINC000294676666 563212576 /nfs/dbraw/zinc/21/25/76/563212576.db2.gz FSHUXUWWGXSKSQ-OAHLLOKOSA-N 1 0 379.555 2.736 20 0 GFADRO C[NH2+]C[C@@H]1CCCN1C(=O)NCCc1c[nH]c2cccc(Br)c12 ZINC000418203953 563213529 /nfs/dbraw/zinc/21/35/29/563213529.db2.gz WVPLYJGNKZUBAA-ZDUSSCGKSA-N 1 0 379.302 2.866 20 0 GFADRO C[C@H]1CN(C(=O)NCCc2c[nH]c3cccc(Br)c23)CC[C@H]1[NH3+] ZINC000418196905 563213578 /nfs/dbraw/zinc/21/35/78/563213578.db2.gz IMTQRKSEEOKCRI-SMDDNHRTSA-N 1 0 379.302 2.852 20 0 GFADRO CSCc1noc(CCC(=O)NC[C@@H]2CC[N@H+](C)[C@@H]2c2cccs2)n1 ZINC000369397790 563213530 /nfs/dbraw/zinc/21/35/30/563213530.db2.gz JLJUBKHRBFAJIV-SJCJKPOMSA-N 1 0 380.539 2.736 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCN(c2ccn(C)n2)C1=O)c1ccc(F)c(Br)c1 ZINC000369442098 563213810 /nfs/dbraw/zinc/21/38/10/563213810.db2.gz XCWNHAKEBGUTEZ-IINYFYTJSA-N 1 0 381.249 2.778 20 0 GFADRO COCC[NH2+]CCNC(=O)N[C@H]1c2cccc(Br)c2CC1(C)C ZINC000418219120 563213868 /nfs/dbraw/zinc/21/38/68/563213868.db2.gz REDYVPHVMZTPDB-HNNXBMFYSA-N 1 0 384.318 2.608 20 0 GFADRO COCC1(CNC(=O)NC/C=C\c2ccc(Br)cc2)CC[NH2+]CC1 ZINC000418271935 563214949 /nfs/dbraw/zinc/21/49/49/563214949.db2.gz QEOOTJFKWZGKTI-IHWYPQMZSA-N 1 0 396.329 2.778 20 0 GFADRO [NH3+]C1(CNC(=O)NCc2nc3c(cccc3Br)[nH]2)CCCCC1 ZINC000418259750 563215000 /nfs/dbraw/zinc/21/50/00/563215000.db2.gz GOJIEIFNHDHEOO-UHFFFAOYSA-N 1 0 380.290 2.786 20 0 GFADRO O=C(NC1CC[NH2+]CC1)N1CCC(Oc2cccc(Br)c2)CC1 ZINC000418316250 563215611 /nfs/dbraw/zinc/21/56/11/563215611.db2.gz ZMJLOUGJPFLCJP-UHFFFAOYSA-N 1 0 382.302 2.754 20 0 GFADRO [NH3+]C[C@H](NC(=O)N[C@@H](CO)c1ccc(Br)cc1)C1CCCCC1 ZINC000418390287 563216296 /nfs/dbraw/zinc/21/62/96/563216296.db2.gz URSCUENICZWIMO-HOTGVXAUSA-N 1 0 384.318 2.689 20 0 GFADRO COCc1cccc(S(=O)(=O)NC[C@@H]2CC[N@H+](C)[C@@H]2c2cccs2)c1 ZINC000369539712 563216304 /nfs/dbraw/zinc/21/63/04/563216304.db2.gz JZBZUCZTWIVVRR-YJBOKZPZSA-N 1 0 380.535 2.866 20 0 GFADRO C[N@@H+]1CC[C@H](CNS(=O)(=O)Cc2ccc(Cl)nc2)[C@H]1c1cccs1 ZINC000369540410 563216484 /nfs/dbraw/zinc/21/64/84/563216484.db2.gz NROSXAXTZFXKLD-CJNGLKHVSA-N 1 0 385.942 2.909 20 0 GFADRO C[NH2+]C[C@H](C)CNC(=O)N1CCO[C@H](c2ccc(F)c(Br)c2)C1 ZINC000418368751 563216526 /nfs/dbraw/zinc/21/65/26/563216526.db2.gz SQHSTCFIJDSNQP-NHYWBVRUSA-N 1 0 388.281 2.527 20 0 GFADRO OC1CC[NH+](CCNCc2csc(COc3ccc(Cl)cc3)n2)CC1 ZINC000294778805 563216828 /nfs/dbraw/zinc/21/68/28/563216828.db2.gz GPLTYJGAGPZVAK-UHFFFAOYSA-N 1 0 381.929 2.922 20 0 GFADRO O=C1[C@@H](N2CC[NH+](C3CCC3)CC2)CCN1c1cccc(Br)c1 ZINC000277628835 563217448 /nfs/dbraw/zinc/21/74/48/563217448.db2.gz XPFAEVJIMRTMNN-KRWDZBQOSA-N 1 0 378.314 2.725 20 0 GFADRO O=C(c1cc(F)ccc1Br)N1CCC[N@@H+](C2CCOCC2)CC1 ZINC000369549699 563217532 /nfs/dbraw/zinc/21/75/32/563217532.db2.gz MQJOAHPYZFRAMB-UHFFFAOYSA-N 1 0 385.277 2.915 20 0 GFADRO [NH3+][C@@H](CNC(=O)N[C@@H](CCO)c1ccccc1Br)c1ccccc1 ZINC000418432594 563217694 /nfs/dbraw/zinc/21/76/94/563217694.db2.gz SOAACAWLVMLEBU-IRXDYDNUSA-N 1 0 392.297 2.872 20 0 GFADRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1c(Br)cnn1C ZINC000294807645 563217709 /nfs/dbraw/zinc/21/77/09/563217709.db2.gz BURVQYWPUBBFSD-CJNGLKHVSA-N 1 0 391.313 2.823 20 0 GFADRO CCC([NH3+])(CC)CNC(=O)NC[C@@H](O)COc1cccc(Cl)c1Cl ZINC000418445806 563217923 /nfs/dbraw/zinc/21/79/23/563217923.db2.gz YIDDTVOLLWLCLP-LLVKDONJSA-N 1 0 378.300 2.550 20 0 GFADRO COCC[NH2+]CCNC(=O)N1CCC[C@H]1c1ccc(Br)c(C)c1 ZINC000418508869 563218489 /nfs/dbraw/zinc/21/84/89/563218489.db2.gz NPZSTEBEYOWOJB-INIZCTEOSA-N 1 0 384.318 2.840 20 0 GFADRO COc1ccc(Br)cc1CN(C)C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000418521891 563219494 /nfs/dbraw/zinc/21/94/94/563219494.db2.gz RZIMKVUGCQJEFA-KRWDZBQOSA-N 1 0 384.318 2.989 20 0 GFADRO Cc1ncc(C[N@@H+]2CC[C@H](NC(=O)N(C)Cc3cscn3)[C@H](C)C2)s1 ZINC000369611102 563219580 /nfs/dbraw/zinc/21/95/80/563219580.db2.gz DCLSDIRDOGORKK-WBMJQRKESA-N 1 0 379.555 2.960 20 0 GFADRO CC[C@H](c1ccc(Br)cc1)N1CCN(C(=O)N[C@@H](C)C[NH3+])CC1 ZINC000418573073 563219855 /nfs/dbraw/zinc/21/98/55/563219855.db2.gz UBAUHSYVIBOIML-XJKSGUPXSA-N 1 0 383.334 2.575 20 0 GFADRO C[C@H]1C[N@H+](CCCNC(=O)N2Cc3cccc(Br)c3C2)CCCO1 ZINC000277683338 563220910 /nfs/dbraw/zinc/22/09/10/563220910.db2.gz NDTJGQBANNNPCO-AWEZNQCLSA-N 1 0 396.329 2.975 20 0 GFADRO CC1(C)CCC[NH2+][C@@H]1CNC(=O)N[C@H](CCO)c1ccccc1Br ZINC000418631497 563221325 /nfs/dbraw/zinc/22/13/25/563221325.db2.gz BDDXDDVMJPHSCJ-HZPDHXFCSA-N 1 0 398.345 2.950 20 0 GFADRO CC1(C)CCC[NH2+][C@@H]1CNC(=O)N[C@@H](CO)c1cccc(Br)c1 ZINC000418647564 563222337 /nfs/dbraw/zinc/22/23/37/563222337.db2.gz UIINJUBCSYCFBM-LSDHHAIUSA-N 1 0 384.318 2.560 20 0 GFADRO C[C@H](CCCC[NH3+])NC(=O)NC[C@H](O)COc1cccc(Cl)c1Cl ZINC000418693607 563223020 /nfs/dbraw/zinc/22/30/20/563223020.db2.gz KBBWAKDSWWJGJI-NEPJUHHUSA-N 1 0 378.300 2.550 20 0 GFADRO CN(C(=O)[C@H]1SCCc2sccc21)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000369728429 563223396 /nfs/dbraw/zinc/22/33/96/563223396.db2.gz ZNJDGZAGTXOKBE-QAPCUYQASA-N 1 0 379.595 2.705 20 0 GFADRO [NH3+][C@@H]1CCC[C@H](CNC(=O)N2CCOc3ccc(Br)cc3C2)C1 ZINC000418735074 563223531 /nfs/dbraw/zinc/22/35/31/563223531.db2.gz WAKBTHQGUBHHQY-SWLSCSKDSA-N 1 0 382.302 2.871 20 0 GFADRO CC[C@@H]([NH3+])CNC(=O)N(Cc1cccc(Br)c1)C1CCOCC1 ZINC000418731231 563223608 /nfs/dbraw/zinc/22/36/08/563223608.db2.gz POSRHXPGCCSBOA-OAHLLOKOSA-N 1 0 384.318 2.877 20 0 GFADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+][C@@H]1CCCSC1 ZINC000294958852 563223774 /nfs/dbraw/zinc/22/37/74/563223774.db2.gz CLNILTOKAGFTCS-BXUZGUMPSA-N 1 0 387.343 2.948 20 0 GFADRO O=C(NCCC[NH+]1CCC(O)CC1)C(F)(F)c1ccccc1Br ZINC000294992267 563224852 /nfs/dbraw/zinc/22/48/52/563224852.db2.gz OQZYHNPSSWAHRL-UHFFFAOYSA-N 1 0 391.256 2.504 20 0 GFADRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)N[C@H](c1cccs1)c1ccc(Cl)cc1 ZINC000418765412 563225000 /nfs/dbraw/zinc/22/50/00/563225000.db2.gz PIVSDSNIPGJZJL-WBMJQRKESA-N 1 0 379.913 2.579 20 0 GFADRO [NH3+]C[C@@H]1CC[C@H](NC(=O)N2CCO[C@@H](c3cccc(Br)c3)C2)C1 ZINC000418788291 563225632 /nfs/dbraw/zinc/22/56/32/563225632.db2.gz KSDGPCQHRBSORI-UHOFOFEASA-N 1 0 382.302 2.659 20 0 GFADRO CSc1cc2c(cc1C[NH2+]C1CCC(CS(C)(=O)=O)CC1)OCCO2 ZINC000295024110 563226202 /nfs/dbraw/zinc/22/62/02/563226202.db2.gz CMJJBAKHOCCQHQ-UHFFFAOYSA-N 1 0 385.551 2.873 20 0 GFADRO C[C@H](NC(=O)C(=O)N1CCC[C@@H](CC[NH3+])C1)c1cc(F)c(Cl)cc1Cl ZINC000418828705 563226738 /nfs/dbraw/zinc/22/67/38/563226738.db2.gz DBQGMYSINYEIQB-QWRGUYRKSA-N 1 0 390.286 2.897 20 0 GFADRO CSC1(CNC(=O)NCC2([NH+]3CCSCC3)CCCC2)CCOCC1 ZINC000369869613 563227371 /nfs/dbraw/zinc/22/73/71/563227371.db2.gz ACELGWPHFDCQIL-UHFFFAOYSA-N 1 0 387.615 2.559 20 0 GFADRO C[C@H](NC(=O)C(=O)N[C@H](C[NH3+])C1CCCC1)c1cc(F)c(Cl)cc1Cl ZINC000418851334 563227816 /nfs/dbraw/zinc/22/78/16/563227816.db2.gz PJKOVMATGIHNEZ-BJOHPYRUSA-N 1 0 390.286 2.943 20 0 GFADRO C[C@@H](NC(=O)C(=O)N(C)C1CC[NH2+]CC1)c1cc(F)c(Cl)cc1Cl ZINC000418857619 563228100 /nfs/dbraw/zinc/22/81/00/563228100.db2.gz ZMFFFXIRGBCTIT-SECBINFHSA-N 1 0 376.259 2.520 20 0 GFADRO C[C@@H](NC(=O)C(=O)N[C@@H](C[NH3+])C1CCCCC1)c1ccc(Br)cc1 ZINC000418854581 563228198 /nfs/dbraw/zinc/22/81/98/563228198.db2.gz BUTNDPYYFVWRMT-WBMJQRKESA-N 1 0 396.329 2.650 20 0 GFADRO C[C@H]1[NH2+]CCC[C@H]1NC(=O)C(=O)N[C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000418891111 563229234 /nfs/dbraw/zinc/22/92/34/563229234.db2.gz LFXNMZCCIRPVNE-XNIJJKJLSA-N 1 0 384.307 2.612 20 0 GFADRO C[C@@H](NC(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1)c1ccc(Cl)cc1Cl ZINC000418951214 563231444 /nfs/dbraw/zinc/23/14/44/563231444.db2.gz IHOFVBKIEQXXSW-YHYOWMERSA-N 1 0 384.307 2.756 20 0 GFADRO O=C(CCN1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)Nc1cc(Cl)ccc1Cl ZINC000370054173 563232352 /nfs/dbraw/zinc/23/23/52/563232352.db2.gz UQGJWTNSJGRLKI-IRXDYDNUSA-N 1 0 386.323 2.853 20 0 GFADRO CC(C)(O)C[N@@H+]1CCCN(C(=O)Nc2cc(Cl)c(N)c(Cl)c2)CC1 ZINC000370101944 563233269 /nfs/dbraw/zinc/23/32/69/563233269.db2.gz AWRJMBHVXOZVPK-UHFFFAOYSA-N 1 0 375.300 2.886 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)NCCCc1ccc(Cl)cc1Cl ZINC000419044493 563233327 /nfs/dbraw/zinc/23/33/27/563233327.db2.gz UIMSQXMIMHQKQA-MLGOLLRUSA-N 1 0 386.323 2.771 20 0 GFADRO COc1cc(Br)c(C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)cc1OC ZINC000295183177 563233805 /nfs/dbraw/zinc/23/38/05/563233805.db2.gz TXMUDZBMBUOLRD-IINYFYTJSA-N 1 0 383.286 2.679 20 0 GFADRO [NH3+][C@@H]1CCCN(C(=O)C(=O)N[C@H](c2ccsc2)c2ccc(Cl)cc2)C1 ZINC000419123587 563233856 /nfs/dbraw/zinc/23/38/56/563233856.db2.gz HFDDBSGFNXRFDX-CVEARBPZSA-N 1 0 377.897 2.557 20 0 GFADRO COC[C@@H](NC(=O)C1CC[NH+](Cc2ccc(Cl)s2)CC1)[C@@H]1CCCO1 ZINC000370142139 563235041 /nfs/dbraw/zinc/23/50/41/563235041.db2.gz WYNOSUPOERRREK-CVEARBPZSA-N 1 0 386.945 2.924 20 0 GFADRO CS(=O)(=O)NC[C@H]1CCCN(Cc2cc(-c3ccccc3Cl)on2)C1 ZINC000419253896 563235147 /nfs/dbraw/zinc/23/51/47/563235147.db2.gz FEWARPAPYKZORJ-CYBMUJFWSA-N 1 0 383.901 2.756 20 0 GFADRO C[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000419281488 563236222 /nfs/dbraw/zinc/23/62/22/563236222.db2.gz LFNMVMBYPNDRKO-BZPMIXESSA-N 1 0 386.323 2.545 20 0 GFADRO COc1cc(C(F)(F)F)cc(S(=O)(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000295224334 563236763 /nfs/dbraw/zinc/23/67/63/563236763.db2.gz NOKLHMUCEZHIJO-DGCLKSJQSA-N 1 0 380.432 2.817 20 0 GFADRO COc1cccc2c1C[C@@H]([NH2+][C@@H](C(N)=O)c1cccc(Br)c1)C2 ZINC000419327995 563237258 /nfs/dbraw/zinc/23/72/58/563237258.db2.gz MYIJBCLRGWLAEV-WMLDXEAASA-N 1 0 375.266 2.741 20 0 GFADRO CCSc1ccc(Cl)cc1C(=O)N1CCCN(CC(=O)N(C)C)CC1 ZINC000370256910 563237958 /nfs/dbraw/zinc/23/79/58/563237958.db2.gz QMVVPUGBOMHERO-UHFFFAOYSA-N 1 0 383.945 2.688 20 0 GFADRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)NCC(C)(C)c1ccc(Cl)c(Cl)c1 ZINC000419355804 563238696 /nfs/dbraw/zinc/23/86/96/563238696.db2.gz GWKZFJYVOOAEPF-XHDPSFHLSA-N 1 0 386.323 2.501 20 0 GFADRO O=S(=O)(C1CC1)N1CCC([NH2+]Cc2cnc(-c3cccs3)s2)CC1 ZINC000370324439 563240489 /nfs/dbraw/zinc/24/04/89/563240489.db2.gz INCAGAKIBFWDMK-UHFFFAOYSA-N 1 0 383.564 2.918 20 0 GFADRO O=C(Nc1cccc(C[NH+]2C[C@H](O)[C@@H](O)C2)c1)c1ccc(Cl)cc1Cl ZINC000278110132 563241186 /nfs/dbraw/zinc/24/11/86/563241186.db2.gz AACDGHIKHXLUAJ-IRXDYDNUSA-N 1 0 381.259 2.783 20 0 GFADRO C[N@@H+](Cc1cc(=O)n2ccsc2n1)C[C@@H](O)c1ccccc1Br ZINC000295326419 563242277 /nfs/dbraw/zinc/24/22/77/563242277.db2.gz MJDAXNUAUMOIGJ-CQSZACIVSA-N 1 0 394.294 2.684 20 0 GFADRO C[C@H](Cc1c(Cl)cccc1Cl)NC(=O)C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000419570277 563242415 /nfs/dbraw/zinc/24/24/15/563242415.db2.gz NERATSRNGWQAOM-OLZOCXBDSA-N 1 0 386.323 2.628 20 0 GFADRO C[C@H](Cc1c(Cl)cccc1Cl)NC(=O)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000419588806 563242453 /nfs/dbraw/zinc/24/24/53/563242453.db2.gz ISJNUKKUQITOTG-GFCCVEGCSA-N 1 0 386.323 2.547 20 0 GFADRO C[C@H](Cc1c(Cl)cccc1Cl)NC(=O)C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000419580698 563242660 /nfs/dbraw/zinc/24/26/60/563242660.db2.gz ZMWIMSYEJOANIV-XHBSWPGZSA-N 1 0 386.323 2.674 20 0 GFADRO CC(C)[NH+]1CCN([C@H]2CCN(C(=O)c3ccccc3Br)C2)CC1 ZINC000370423365 563243114 /nfs/dbraw/zinc/24/31/14/563243114.db2.gz KUWJULWAFAQACH-HNNXBMFYSA-N 1 0 380.330 2.690 20 0 GFADRO [NH3+]CCN(Cc1ccccc1)C(=O)C(=O)NCc1cc(Cl)sc1Cl ZINC000419625761 563244120 /nfs/dbraw/zinc/24/41/20/563244120.db2.gz JMTKWXNIEVUAHB-UHFFFAOYSA-N 1 0 386.304 2.659 20 0 GFADRO Cc1noc(C)c1-c1nc(C)c(C(=O)NC[C@@]2([NH+](C)C)CCSC2)s1 ZINC000295370927 563244577 /nfs/dbraw/zinc/24/45/77/563244577.db2.gz RRLODGAWAQZQFX-KRWDZBQOSA-N 1 0 380.539 2.890 20 0 GFADRO COC(=O)[C@@H](NC(=O)C1CC[NH+](C2CC2)CC1)c1ccc(Br)cc1 ZINC000278210263 563244790 /nfs/dbraw/zinc/24/47/90/563244790.db2.gz GTNCLFDVHHQZAG-INIZCTEOSA-N 1 0 395.297 2.654 20 0 GFADRO CC[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000419754615 563249310 /nfs/dbraw/zinc/24/93/10/563249310.db2.gz PDOVMLBGYMUIRF-PEYYIBSZSA-N 1 0 386.323 2.545 20 0 GFADRO CC[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)N[C@H]1CC[NH2+][C@@H](C)C1 ZINC000419753244 563249326 /nfs/dbraw/zinc/24/93/26/563249326.db2.gz NNOCVZJPKHWZMY-GLQYFDAESA-N 1 0 386.323 2.687 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+]CCc2cccc(C(F)(F)F)n2)cc1Cl ZINC000419753218 563249677 /nfs/dbraw/zinc/24/96/77/563249677.db2.gz YBNOOKUAPXSFGR-UHFFFAOYSA-N 1 0 393.818 2.734 20 0 GFADRO CC[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)NCCC[NH2+]C1CC1 ZINC000419749469 563249737 /nfs/dbraw/zinc/24/97/37/563249737.db2.gz GXQARKGKEAZQBF-CQSZACIVSA-N 1 0 386.323 2.689 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)[C@H](c2ccc(Cl)cc2Cl)N2CCOCC2)CC[NH2+]1 ZINC000278349349 563250729 /nfs/dbraw/zinc/25/07/29/563250729.db2.gz YWXKGWGYMLMGAY-MRRJBJDNSA-N 1 0 386.323 2.623 20 0 GFADRO CCC[C@@H](O)[C@H](CO)[NH2+]Cc1ccc(Br)c(Br)c1 ZINC000419813655 563251573 /nfs/dbraw/zinc/25/15/73/563251573.db2.gz ITMFSSUYBFSRHF-QWHCGFSZSA-N 1 0 381.108 2.823 20 0 GFADRO Cn1ncc(Br)c1C[NH2+]C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000278353901 563251786 /nfs/dbraw/zinc/25/17/86/563251786.db2.gz IDYFYFNJLUDRBB-GFCCVEGCSA-N 1 0 387.322 2.919 20 0 GFADRO [NH3+]CCCCNC(=O)C(=O)N1CCC(Cc2cc(Cl)ccc2Cl)CC1 ZINC000419833170 563251981 /nfs/dbraw/zinc/25/19/81/563251981.db2.gz OXLFPMBZBMGJBL-UHFFFAOYSA-N 1 0 386.323 2.630 20 0 GFADRO CC(C)N(Cc1cccc(Br)c1)C(=O)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000419887961 563252612 /nfs/dbraw/zinc/25/26/12/563252612.db2.gz FLTAVGDOEYWPTG-JKSUJKDBSA-N 1 0 396.329 2.572 20 0 GFADRO Cc1cc(I)cnc1NC(=O)C1CC[NH+](C2CC2)CC1 ZINC000278389403 563252937 /nfs/dbraw/zinc/25/29/37/563252937.db2.gz RRUCKBDLJRKGIJ-UHFFFAOYSA-N 1 0 385.249 2.808 20 0 GFADRO CC[C@@H](NC(=O)[C@H]1CC[NH2+]C1)c1noc(-c2cccc(Br)c2)n1 ZINC000370773552 563254979 /nfs/dbraw/zinc/25/49/79/563254979.db2.gz OQHJOWBZMSFJBY-WCQYABFASA-N 1 0 379.258 2.676 20 0 GFADRO Cc1cccc(C(=O)N(C2CC2)C2CC[NH2+]CC2)c1I ZINC000370787389 563255421 /nfs/dbraw/zinc/25/54/21/563255421.db2.gz MLLDSXIVSFBSCO-UHFFFAOYSA-N 1 0 384.261 2.956 20 0 GFADRO COc1ccc(C[NH2+][C@H]2CCCN(c3ccnn3C)C2)c(Br)c1O ZINC000278463727 563257000 /nfs/dbraw/zinc/25/70/00/563257000.db2.gz FNKCEUUBSQHSMS-ZDUSSCGKSA-N 1 0 395.301 2.655 20 0 GFADRO CN(C(=O)c1csc(Br)c1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000370829846 563257180 /nfs/dbraw/zinc/25/71/80/563257180.db2.gz JNEASALDHCCIQW-AWEZNQCLSA-N 1 0 386.359 2.751 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+][C@@]1(CCO)CCOC1 ZINC000278476066 563257838 /nfs/dbraw/zinc/25/78/38/563257838.db2.gz INJNUSPEIGNNHT-KRWDZBQOSA-N 1 0 380.286 2.574 20 0 GFADRO [NH3+]C1(CNC(=O)C(=O)N2CC=C(c3ccc(Cl)c(Cl)c3)CC2)CCC1 ZINC000420088694 563258100 /nfs/dbraw/zinc/25/81/00/563258100.db2.gz IIHINLBABDBBFN-UHFFFAOYSA-N 1 0 382.291 2.607 20 0 GFADRO CC(C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000420142173 563259081 /nfs/dbraw/zinc/25/90/81/563259081.db2.gz ZYUUJOWAGNQISS-OCCSQVGLSA-N 1 0 386.323 2.987 20 0 GFADRO Cn1cc([C@@H]2[C@@H](CNC(=O)c3ccc(Br)cc3)CCC[N@@H+]2C)cn1 ZINC000370905942 563259213 /nfs/dbraw/zinc/25/92/13/563259213.db2.gz SMXXVGNOHQVCJP-PBHICJAKSA-N 1 0 391.313 2.996 20 0 GFADRO Cn1cc([C@@H]2[C@@H](CNC(=O)c3ccccc3Br)CCC[N@@H+]2C)cn1 ZINC000370928853 563260597 /nfs/dbraw/zinc/26/05/97/563260597.db2.gz QKYAOUBZMLMRAX-DYVFJYSZSA-N 1 0 391.313 2.996 20 0 GFADRO CN1C(=O)N[C@]2(CCC[C@@H]2C[NH2+][C@H]2CCc3c2cccc3Br)C1=O ZINC000370987744 563262128 /nfs/dbraw/zinc/26/21/28/563262128.db2.gz CXOVIWBFDJIAOK-PSZVPEGOSA-N 1 0 392.297 2.747 20 0 GFADRO COC(=O)COC[C@@H](C)[NH2+]C1CCN(Cc2ccc(Br)cc2)CC1 ZINC000295774319 563262370 /nfs/dbraw/zinc/26/23/70/563262370.db2.gz RAPVCUXGQSFDET-CQSZACIVSA-N 1 0 399.329 2.581 20 0 GFADRO C[C@H](N[C@@H]1[C@H](C)CC[NH2+][C@H]1C)C(=O)N(C)Cc1ccc(Br)cc1 ZINC000420374706 563262834 /nfs/dbraw/zinc/26/28/34/563262834.db2.gz SFBUAOUIIKFHSJ-XJIUQZFPSA-N 1 0 382.346 2.772 20 0 GFADRO C[C@H]1[C@@H]([NH3+])CCN1S(=O)(=O)c1cc(C(F)(F)F)ccc1Br ZINC000420424028 563263502 /nfs/dbraw/zinc/26/35/02/563263502.db2.gz HNCIVIQJRSDUNQ-XVKPBYJWSA-N 1 0 387.221 2.578 20 0 GFADRO CCn1ccnc1[C@H](N[C@H]1C[C@@H](O)C1)c1ccc(I)cc1 ZINC000295817318 563263839 /nfs/dbraw/zinc/26/38/39/563263839.db2.gz BPGULHVGXRCSAG-QLFBSQMISA-N 1 0 397.260 2.710 20 0 GFADRO O=S(=O)(Cc1cccc(C(F)(F)F)c1)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420465404 563264268 /nfs/dbraw/zinc/26/42/68/563264268.db2.gz QCBUOADBTMQRLX-GDBMZVCRSA-N 1 0 376.444 2.999 20 0 GFADRO CCOc1ccc(S(=O)(=O)N[C@H]2CC[NH2+]CC2(C)C)cc1Br ZINC000420465453 563264368 /nfs/dbraw/zinc/26/43/68/563264368.db2.gz QFZXDZCKFZKSFL-AWEZNQCLSA-N 1 0 391.331 2.514 20 0 GFADRO O=C(N[C@H]1CCOc2ccc(Br)cc21)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000278648638 563264800 /nfs/dbraw/zinc/26/48/00/563264800.db2.gz AJFUAOXKOYUOPF-MFKMUULPSA-N 1 0 391.269 2.503 20 0 GFADRO CN1CCC([NH+]2CCC(CCNC(=O)[C@]3(C)CC3(Cl)Cl)CC2)CC1 ZINC000371089937 563265505 /nfs/dbraw/zinc/26/55/05/563265505.db2.gz RFEMPUKPSZMHTC-KRWDZBQOSA-N 1 0 376.372 2.883 20 0 GFADRO C[C@H]1CCN(S(=O)(=O)c2cc(Cl)ccc2Br)C[C@H]1C[NH3+] ZINC000420485392 563265744 /nfs/dbraw/zinc/26/57/44/563265744.db2.gz ZYNLQQCWNKEGBA-VHSXEESVSA-N 1 0 381.723 2.708 20 0 GFADRO C[C@H]1CCN(S(=O)(=O)c2cc(Br)ccc2Cl)C[C@@H]1C[NH3+] ZINC000420480794 563265890 /nfs/dbraw/zinc/26/58/90/563265890.db2.gz PMMUWWHETCGEFV-UWVGGRQHSA-N 1 0 381.723 2.708 20 0 GFADRO C[C@H]1C[N@H+](CCCNC(=O)[C@H]2COc3ccc(Br)cc32)CCCO1 ZINC000278703144 563267723 /nfs/dbraw/zinc/26/77/23/563267723.db2.gz VGZAROWBHQQTAL-BBRMVZONSA-N 1 0 397.313 2.542 20 0 GFADRO C[NH+](C)C1CCC(NC(=O)C(=O)NCCc2ccc(Cl)cc2Cl)CC1 ZINC000420647036 563269199 /nfs/dbraw/zinc/26/91/99/563269199.db2.gz AAGSYOGLDUPECI-UHFFFAOYSA-N 1 0 386.323 2.641 20 0 GFADRO C[C@H]1CCC[N@@H+]1C1CCN([C@@H](C(N)=O)c2cccc(Br)c2)CC1 ZINC000371225718 563269277 /nfs/dbraw/zinc/26/92/77/563269277.db2.gz MNOLPKBJORSXJR-SUMWQHHRSA-N 1 0 380.330 2.924 20 0 GFADRO O=C(c1n[nH]c2ccc(Br)cc21)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000371234492 563269299 /nfs/dbraw/zinc/26/92/99/563269299.db2.gz FKMAIXHTWLPEOH-FZMZJTMJSA-N 1 0 377.286 2.930 20 0 GFADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+]C[C@@](C)(OC)C1CC1 ZINC000296047790 563272095 /nfs/dbraw/zinc/27/20/95/563272095.db2.gz OIQOFUMSRLIACF-KZULUSFZSA-N 1 0 399.329 2.867 20 0 GFADRO C[C@@H](C1CC[NH+](C)CC1)N(C)S(=O)(=O)c1cc(F)ccc1OC(F)F ZINC000420687020 563274063 /nfs/dbraw/zinc/27/40/63/563274063.db2.gz KRLHLJRUXWHUKD-NSHDSACASA-N 1 0 380.432 2.778 20 0 GFADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)Nc1cncc(Br)c1 ZINC000278940204 563276748 /nfs/dbraw/zinc/27/67/48/563276748.db2.gz XMTGEDMFJMIERL-GFCCVEGCSA-N 1 0 383.290 2.561 20 0 GFADRO Cc1cn2c(n1)CC[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc(Br)c1)C2 ZINC000371490066 563279032 /nfs/dbraw/zinc/27/90/32/563279032.db2.gz CKCRYWWOVNIXEW-SWLSCSKDSA-N 1 0 377.286 2.886 20 0 GFADRO Cc1cc(I)ccc1NC(=O)c1cc([C@H]2CC[NH2+]C2)[nH]n1 ZINC000279000135 563279683 /nfs/dbraw/zinc/27/96/83/563279683.db2.gz MEPFSPOPALMOBJ-JTQLQIEISA-N 1 0 396.232 2.652 20 0 GFADRO COc1ccc(CNC(=O)N2CC[C@@H]3CC[N@H+](C)[C@H]3C2)cc1Br ZINC000371508648 563280142 /nfs/dbraw/zinc/28/01/42/563280142.db2.gz LAWKWQZKMGNACO-ZFWWWQNUSA-N 1 0 382.302 2.693 20 0 GFADRO COC[C@H]([NH2+]CC(=O)N(C)Cc1ccc(Cl)c(Cl)c1)[C@H]1CCCO1 ZINC000279042576 563281996 /nfs/dbraw/zinc/28/19/96/563281996.db2.gz JMIWVJYLZFFNGB-JKSUJKDBSA-N 1 0 375.296 2.735 20 0 GFADRO CCc1cc(N2CCC([NH2+]Cc3c(Br)c(C)nn3C)CC2)ncn1 ZINC000279194116 563287001 /nfs/dbraw/zinc/28/70/01/563287001.db2.gz UDXCNPPPEVENQW-UHFFFAOYSA-N 1 0 393.333 2.602 20 0 GFADRO COc1cccc(N2CC[C@@H]([NH2+]Cc3c(Br)c(C)nn3C)C2)c1 ZINC000279208879 563287729 /nfs/dbraw/zinc/28/77/29/563287729.db2.gz VXBPRJJBUFOQTJ-CYBMUJFWSA-N 1 0 379.302 2.868 20 0 GFADRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)NCc1cc(Br)cc2c1OCC2 ZINC000420842933 563287898 /nfs/dbraw/zinc/28/78/98/563287898.db2.gz WEFLPAVQFMCZNP-OAHLLOKOSA-N 1 0 382.302 2.620 20 0 GFADRO CC1(C)[C@H]([NH2+]CCS(=O)(=O)c2cccc(Br)c2)[C@H]2CCO[C@H]21 ZINC000296489475 563289372 /nfs/dbraw/zinc/28/93/72/563289372.db2.gz YSWLGBSNOTZORK-RBSFLKMASA-N 1 0 388.327 2.626 20 0 GFADRO Cn1cc([C@@H]2[C@H](CNC(=O)c3occc3Br)CCC[N@@H+]2C)cn1 ZINC000371919067 563291178 /nfs/dbraw/zinc/29/11/78/563291178.db2.gz RQQPKWSRDNDXGS-FZMZJTMJSA-N 1 0 381.274 2.589 20 0 GFADRO CC[NH+](CC)[C@H](C)CNC(=O)Nc1ccncc1I ZINC000279309336 563291682 /nfs/dbraw/zinc/29/16/82/563291682.db2.gz CLBXIIJJLRSIMO-SNVBAGLBSA-N 1 0 376.242 2.538 20 0 GFADRO CC(C)[C@@H](C[NH2+]C1CCN(S(=O)(=O)c2cccs2)CC1)N1CCCC1 ZINC000371986073 563293540 /nfs/dbraw/zinc/29/35/40/563293540.db2.gz XKXPHAWRRGIGFD-QGZVFWFLSA-N 1 0 385.599 2.611 20 0 GFADRO COC1([C@@H](C)[NH2+]C[C@H](O)COc2cc(Cl)ccc2Cl)CCOCC1 ZINC000421027208 563293664 /nfs/dbraw/zinc/29/36/64/563293664.db2.gz GIXGIYMFBPLINO-OCCSQVGLSA-N 1 0 378.296 2.907 20 0 GFADRO O=C1CNC(=O)N1CCC[N@H+]1CCCC[C@@H]1Cc1cccc(Br)c1 ZINC000421035735 563294495 /nfs/dbraw/zinc/29/44/95/563294495.db2.gz IEQCGFDCXJAPIA-MRXNPFEDSA-N 1 0 394.313 2.788 20 0 GFADRO O=S1(=O)CCCN1C1CCC([NH2+][C@H]2CSCCc3ccccc32)CC1 ZINC000372059575 563294907 /nfs/dbraw/zinc/29/49/07/563294907.db2.gz HJYLWKNGIPYSBX-TVPLGVNVSA-N 1 0 380.579 2.953 20 0 GFADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[N@H+](C)[C@H]1CC[C@H](O)CC1 ZINC000296640493 563295412 /nfs/dbraw/zinc/29/54/12/563295412.db2.gz CIJJZUASPNDMPF-DAXOMENPSA-N 1 0 399.329 2.698 20 0 GFADRO C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1NC(=O)Nc1cccnc1Br ZINC000372104812 563295883 /nfs/dbraw/zinc/29/58/83/563295883.db2.gz BNDOAGAQAFZMKP-HZSPNIEDSA-N 1 0 397.317 2.855 20 0 GFADRO CC(C)[C@@H](C(=O)NCc1noc(-c2cccc(Br)c2)n1)[NH+](C)C ZINC000279612218 563302950 /nfs/dbraw/zinc/30/29/50/563302950.db2.gz RAXJOTITFCPFAL-AWEZNQCLSA-N 1 0 381.274 2.702 20 0 GFADRO COc1ccc([C@@H]2CCN(C(=O)C[C@@H]3CSCCS3)C[C@H]2[NH3+])cc1F ZINC000296821424 563303066 /nfs/dbraw/zinc/30/30/66/563303066.db2.gz ANCXCLBICKVTMZ-IJEWVQPXSA-N 1 0 384.542 2.716 20 0 GFADRO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H](C(N)=O)c2cccc(Br)c2)C[C@@H]1C ZINC000279645446 563304706 /nfs/dbraw/zinc/30/47/06/563304706.db2.gz JTEFTNHPFVWMEL-DANNLKNASA-N 1 0 397.313 2.933 20 0 GFADRO Cn1cc([C@H]2[C@H](C[NH2+]Cc3ccc(Br)c(F)c3)CC(=O)N2C)cn1 ZINC000372389392 563304675 /nfs/dbraw/zinc/30/46/75/563304675.db2.gz KPHIJVQDXBHKOR-YVEFUNNKSA-N 1 0 395.276 2.631 20 0 GFADRO C[NH+](C)C1CCC(NC(=O)C(=O)Nc2cc(F)ccc2Br)CC1 ZINC000421286701 563305315 /nfs/dbraw/zinc/30/53/15/563305315.db2.gz GVQMVMIZGAWQFF-UHFFFAOYSA-N 1 0 386.265 2.516 20 0 GFADRO O=C(NCC[NH+]1CCC(O)CC1)c1ccc2cc(Br)ccc2c1 ZINC000296859351 563305682 /nfs/dbraw/zinc/30/56/82/563305682.db2.gz IAGWJSZCIFMOIW-UHFFFAOYSA-N 1 0 377.282 2.789 20 0 GFADRO O=C(CNC(=O)c1ccc(Cl)c(Cl)c1)N1CCCC2(CC[NH2+]CC2)C1 ZINC000372424910 563306405 /nfs/dbraw/zinc/30/64/05/563306405.db2.gz GHKBDHPODHMRPR-UHFFFAOYSA-N 1 0 384.307 2.715 20 0 GFADRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2c(C)nc3ccc(Br)cn32)C1 ZINC000279722390 563307366 /nfs/dbraw/zinc/30/73/66/563307366.db2.gz BNRSKPOAVGNJEC-CYBMUJFWSA-N 1 0 379.302 2.819 20 0 GFADRO CCCN1C[C@H](C[NH2+]Cc2cc(OC)c(OC)cc2Br)CC1=O ZINC000421345326 563308065 /nfs/dbraw/zinc/30/80/65/563308065.db2.gz ANTNTCQOPCNXIP-LBPRGKRZSA-N 1 0 385.302 2.814 20 0 GFADRO Cc1nc(NC(=O)NC[C@@H]2CCC[C@H]2[NH+]2CCOCC2)ccc1Br ZINC000372487579 563308365 /nfs/dbraw/zinc/30/83/65/563308365.db2.gz QUTSGAKYOHSWIZ-DZGCQCFKSA-N 1 0 397.317 2.775 20 0 GFADRO COC(=O)C[C@@H](NC(=O)C[C@@H]1CCC[NH2+]CC1)c1cccc(Br)c1 ZINC000372498643 563308425 /nfs/dbraw/zinc/30/84/25/563308425.db2.gz WWDRIIGHWSKNAP-CZUORRHYSA-N 1 0 397.313 2.949 20 0 GFADRO CCOc1cc(C[NH2+]C[C@H]2CC[C@H](C(N)=O)CC2)cc(Br)c1O ZINC000421355398 563308646 /nfs/dbraw/zinc/30/86/46/563308646.db2.gz YXMHYMVZYSILGX-AULYBMBSSA-N 1 0 385.302 2.935 20 0 GFADRO CN1CCC[C@@]2(CC[N@H+](C[C@H](O)c3ccc(F)c(Br)c3)C2)C1=O ZINC000372549339 563310387 /nfs/dbraw/zinc/31/03/87/563310387.db2.gz YXFYXGDBGZDKTE-RDJZCZTQSA-N 1 0 385.277 2.566 20 0 GFADRO O=C(c1[nH]nc2c1C[NH2+]CC2)N1CCC[C@H]1c1ccccc1Br ZINC000372575901 563311346 /nfs/dbraw/zinc/31/13/46/563311346.db2.gz ZWLJLNJISNATKL-HNNXBMFYSA-N 1 0 375.270 2.795 20 0 GFADRO COC(=O)c1cc(Br)cc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000297039559 563313500 /nfs/dbraw/zinc/31/35/00/563313500.db2.gz OECPCPOQPLNHLJ-GOOCMWNKSA-N 1 0 381.270 2.591 20 0 GFADRO O=C(NC[C@H](CO)Cc1ccccc1Br)[C@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC000372873881 563320965 /nfs/dbraw/zinc/32/09/65/563320965.db2.gz SVNGPQUSCUALIE-PVAVHDDUSA-N 1 0 395.341 2.591 20 0 GFADRO CC1(C)[C@@H]2OCCC[C@H]2[C@]1([NH3+])C(=O)N1CCc2ccc(Br)cc21 ZINC000372897358 563322113 /nfs/dbraw/zinc/32/21/13/563322113.db2.gz LTGLUBZBIAHPSM-SIIHOXLZSA-N 1 0 379.298 2.871 20 0 GFADRO C[NH+](C)C1CCC(N2C(=O)N[C@H](c3ccc(Br)cc3)C2=O)CC1 ZINC000421811827 563322717 /nfs/dbraw/zinc/32/27/17/563322717.db2.gz AELPZNWKPFQIGY-YMAMQOFZSA-N 1 0 380.286 2.915 20 0 GFADRO C[C@H](CO[C@@H]1CCOC1)NC(=O)C1CC[NH+](Cc2ccc(Cl)s2)CC1 ZINC000372972584 563324270 /nfs/dbraw/zinc/32/42/70/563324270.db2.gz CNTJTRUMSAOSRQ-UKRRQHHQSA-N 1 0 386.945 2.924 20 0 GFADRO CCOc1c(Br)cc(C(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)cc1OC ZINC000373053378 563327298 /nfs/dbraw/zinc/32/72/98/563327298.db2.gz FRASGCBKYFXPIG-BXUZGUMPSA-N 1 0 383.286 2.680 20 0 GFADRO C[N@@H+]1CC[C@@H]2CCN(c3ncc(Cn4cc(Br)cn4)s3)C[C@@H]21 ZINC000373061046 563327630 /nfs/dbraw/zinc/32/76/30/563327630.db2.gz YMJWPMSIEIKYBA-RISCZKNCSA-N 1 0 382.331 2.681 20 0 GFADRO CCOCC[C@H](O)C[NH+]1CCC(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000373084564 563328607 /nfs/dbraw/zinc/32/86/07/563328607.db2.gz SKDKOZAGABDQBU-KRWDZBQOSA-N 1 0 399.329 2.887 20 0 GFADRO Cc1nccn1CC(=O)NC1CCN(Cc2ccc(Br)cc2)CC1 ZINC000297593517 563330285 /nfs/dbraw/zinc/33/02/85/563330285.db2.gz PWBYABAKERBJAF-UHFFFAOYSA-N 1 0 391.313 2.735 20 0 GFADRO COC[C@H](C)OC[C@@H](O)C[N@H+](C)[C@H]1CCOc2ccc(Br)cc21 ZINC000373174434 563331429 /nfs/dbraw/zinc/33/14/29/563331429.db2.gz VYRUPZXAXPUMND-NOLJZWGESA-N 1 0 388.302 2.617 20 0 GFADRO C[C@@H](c1cccc(Br)c1)[NH+]1CCC(n2cnc(C(N)=O)c2N)CC1 ZINC000297650487 563332192 /nfs/dbraw/zinc/33/21/92/563332192.db2.gz NGLDAMGPESLCEN-NSHDSACASA-N 1 0 392.301 2.725 20 0 GFADRO C[C@@H]([NH2+]C[C@@H](O)c1ccc(S(C)(=O)=O)cc1)c1ccc(Br)cn1 ZINC000280375477 563334404 /nfs/dbraw/zinc/33/44/04/563334404.db2.gz KTLPXHAPLCZMCN-BDJLRTHQSA-N 1 0 399.310 2.632 20 0 GFADRO C[C@@H]([NH2+]C[C@H](O)c1ccc(S(C)(=O)=O)cc1)c1ccc(Br)cn1 ZINC000280375480 563334573 /nfs/dbraw/zinc/33/45/73/563334573.db2.gz KTLPXHAPLCZMCN-BZNIZROVSA-N 1 0 399.310 2.632 20 0 GFADRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NCCc2c(Cl)cccc2Cl)C1 ZINC000422262683 563335140 /nfs/dbraw/zinc/33/51/40/563335140.db2.gz HBKMIAKPSZRMAO-ZDUSSCGKSA-N 1 0 386.323 2.593 20 0 GFADRO C[C@H](CNC(=O)C(=O)N(C)C[C@H]1CCC[N@@H+]1C)c1c(Cl)cccc1Cl ZINC000422295370 563336155 /nfs/dbraw/zinc/33/61/55/563336155.db2.gz NMGAHIFRDFHQAF-CHWSQXEVSA-N 1 0 386.323 2.766 20 0 GFADRO CS(=O)(=O)c1cccc(Cl)c1C[NH2+]CC[C@@H]1C(=O)Nc2ccccc21 ZINC000373385114 563336852 /nfs/dbraw/zinc/33/68/52/563336852.db2.gz SOSLLXDVDYEEDB-ZDUSSCGKSA-N 1 0 378.881 2.959 20 0 GFADRO CC[C@H](C)[C@@H](NC(=O)C(=O)NC[C@@H](c1cccs1)[NH+](C)C)C(F)(F)F ZINC000297817801 563337147 /nfs/dbraw/zinc/33/71/47/563337147.db2.gz IXHBTKFIESIHHY-GMXVVIOVSA-N 1 0 379.448 2.560 20 0 GFADRO O=C(C1CC[NH+](Cc2ccc(Cl)s2)CC1)N1CCC[C@@H](OCCO)C1 ZINC000373436160 563338031 /nfs/dbraw/zinc/33/80/31/563338031.db2.gz RWTZHEZTRQEIPB-OAHLLOKOSA-N 1 0 386.945 2.613 20 0 GFADRO OC[C@H]([NH2+]CCn1ccnc1)c1ccc(Br)cc1C(F)(F)F ZINC000280495435 563339918 /nfs/dbraw/zinc/33/99/18/563339918.db2.gz BOZRAUHBKAXWBB-ZDUSSCGKSA-N 1 0 378.192 2.988 20 0 GFADRO CCOC(=O)c1cc(Cl)cc(S(=O)(=O)N2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)c1 ZINC000422551375 563342642 /nfs/dbraw/zinc/34/26/42/563342642.db2.gz DPJPCDMBHYOOJE-BZPMIXESSA-N 1 0 388.917 2.511 20 0 GFADRO CC(C)[C@@H](CNC(=O)C(=O)Nc1cc(Cl)c(N)c(Cl)c1)[NH+]1CCCC1 ZINC000298058848 563343631 /nfs/dbraw/zinc/34/36/31/563343631.db2.gz IQRPMDIUFLXMFC-CQSZACIVSA-N 1 0 387.311 2.751 20 0 GFADRO C[C@@H]1C[C@H](C)N(CCS(=O)(=O)c2cccc(Br)c2)C[C@H]1C[NH3+] ZINC000422640086 563345311 /nfs/dbraw/zinc/34/53/11/563345311.db2.gz UWVALKRWLXYBEK-HZSPNIEDSA-N 1 0 389.359 2.528 20 0 GFADRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)Nc1cc(Cl)c(N)c(Cl)c1 ZINC000298257749 563348995 /nfs/dbraw/zinc/34/89/95/563348995.db2.gz VBRHOSBWSMPBDU-WDEREUQCSA-N 1 0 387.311 2.751 20 0 GFADRO Nc1c(Cl)cc(NC(=O)C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)cc1Cl ZINC000298249528 563349191 /nfs/dbraw/zinc/34/91/91/563349191.db2.gz TYBIJOCBHYAQPM-GFCCVEGCSA-N 1 0 385.295 2.601 20 0 GFADRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)Nc1cc(Cl)c(N)c(Cl)c1 ZINC000298257746 563349230 /nfs/dbraw/zinc/34/92/30/563349230.db2.gz VBRHOSBWSMPBDU-QWRGUYRKSA-N 1 0 387.311 2.751 20 0 GFADRO CC1=C(Br)CN(C(=O)NC[C@H]2CCC[C@H]2[NH+]2CCOCC2)CC1 ZINC000373771333 563350554 /nfs/dbraw/zinc/35/05/54/563350554.db2.gz MFMAQYLJBONQAQ-GDBMZVCRSA-N 1 0 386.334 2.572 20 0 GFADRO CCN(CC)S(=O)(=O)c1cc(NC(=O)[C@@H]2C[C@H](C)CC[NH2+]2)ccc1Cl ZINC000422922964 563350854 /nfs/dbraw/zinc/35/08/54/563350854.db2.gz UUWKGSOPEFRRGR-DOMZBBRYSA-N 1 0 387.933 2.697 20 0 GFADRO CCOC(=O)[C@@H]1NCC[C@@H]1[NH2+]C[C@H](C)Sc1ccc(Br)cc1 ZINC000422959123 563351689 /nfs/dbraw/zinc/35/16/89/563351689.db2.gz QTFQCFGSOUDNQO-TUKIKUTGSA-N 1 0 387.343 2.813 20 0 GFADRO C[C@@H]1CN(Cc2nnc(-c3ccc(Br)o3)o2)C[C@]2(CCCOC2)O1 ZINC000373813334 563352101 /nfs/dbraw/zinc/35/21/01/563352101.db2.gz SWLRBDLCDJFAKS-BZNIZROVSA-N 1 0 398.257 2.862 20 0 GFADRO [NH3+]CCCn1cc(C(=O)NC2(c3ccc(Br)cc3)CCCC2)nn1 ZINC000423038610 563353287 /nfs/dbraw/zinc/35/32/87/563353287.db2.gz ORMNILYGGSQCGL-UHFFFAOYSA-N 1 0 392.301 2.589 20 0 GFADRO Cc1csc(C2([NH2+]CCC(=O)Nc3sccc3C(N)=O)CCCC2)n1 ZINC000298396680 563353847 /nfs/dbraw/zinc/35/38/47/563353847.db2.gz HDDGAAGVEAGLPG-UHFFFAOYSA-N 1 0 378.523 3.000 20 0 GFADRO C[C@@H]([NH2+][C@H]1CCCSC1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000280776196 563354123 /nfs/dbraw/zinc/35/41/23/563354123.db2.gz RZBVALRDGDMHNF-KOLCDFICSA-N 1 0 379.345 2.643 20 0 GFADRO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NCc1ccc(Cl)cc1I ZINC000423091748 563354544 /nfs/dbraw/zinc/35/45/44/563354544.db2.gz YPRBQYOXIDGXIN-DUFXMDAXSA-N 1 0 394.684 2.787 20 0 GFADRO C[C@@H]([NH2+][C@H](C)C1CCOCC1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000280808526 563355091 /nfs/dbraw/zinc/35/50/91/563355091.db2.gz VKJGBBKMIOTZDW-GHMZBOCLSA-N 1 0 391.331 2.562 20 0 GFADRO Fc1cc(Br)c(CN[C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)cc1F ZINC000423106032 563355151 /nfs/dbraw/zinc/35/51/51/563355151.db2.gz JFIAWEVNWLTBPQ-IUIKQTSFSA-N 1 0 375.257 2.974 20 0 GFADRO [NH3+][C@H]1CCCCC[C@H]1NCCNS(=O)(=O)c1cccc(Cl)c1Cl ZINC000423097959 563355706 /nfs/dbraw/zinc/35/57/06/563355706.db2.gz BTDDRUCGHMPYKV-QWHCGFSZSA-N 1 0 380.341 2.521 20 0 GFADRO Cc1cc(NC(=O)CNC(=O)[C@H]2[NH2+]CCCC2(C)C)ccc1Br ZINC000423130070 563356663 /nfs/dbraw/zinc/35/66/63/563356663.db2.gz YAKOCVXCCHDQGR-OAHLLOKOSA-N 1 0 382.302 2.590 20 0 GFADRO CC[C@H](NC[C@H](CO)Cc1cc(Br)ccc1OC)[C@@H]1CCC[NH2+]1 ZINC000423155457 563357220 /nfs/dbraw/zinc/35/72/20/563357220.db2.gz LCXRANFPOAQRIO-COXVUDFISA-N 1 0 385.346 2.729 20 0 GFADRO C[C@H]([NH2+]CC1(S(C)(=O)=O)CC1)c1ccc(I)cc1 ZINC000280857453 563357911 /nfs/dbraw/zinc/35/79/11/563357911.db2.gz BZDRCPBPEYSDLO-JTQLQIEISA-N 1 0 379.263 2.519 20 0 GFADRO COC[C@@]1(C(=O)Nc2ccc(Sc3nncs3)c(Cl)c2)CC[NH2+]C1 ZINC000423158584 563357959 /nfs/dbraw/zinc/35/79/59/563357959.db2.gz OFXSCQXMAYPRKH-OAHLLOKOSA-N 1 0 384.914 2.907 20 0 GFADRO COC(=O)C[C@H]([NH3+])C(=O)N[C@H](C)c1sc(-c2ccc(Cl)cc2)nc1C ZINC000423170761 563357990 /nfs/dbraw/zinc/35/79/90/563357990.db2.gz YTWAJRPYGXGMBP-RNCFNFMXSA-N 1 0 381.885 2.840 20 0 GFADRO C[C@H](C(=O)N1CCC(C)CC1)[NH+]1CCC(n2cc(Br)cn2)CC1 ZINC000374009399 563358313 /nfs/dbraw/zinc/35/83/13/563358313.db2.gz BOSJJMDHYONYOQ-CQSZACIVSA-N 1 0 383.334 2.930 20 0 GFADRO CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000423191971 563358625 /nfs/dbraw/zinc/35/86/25/563358625.db2.gz UIIXEOYJBLVQMU-LBPRGKRZSA-N 1 0 386.323 2.928 20 0 GFADRO [NH3+][C@@H](C(=O)NCCSCCOc1cccc(Br)c1)C1CCC1 ZINC000423179206 563358639 /nfs/dbraw/zinc/35/86/39/563358639.db2.gz JEVWMFDLIMBTGT-OAHLLOKOSA-N 1 0 387.343 2.805 20 0 GFADRO [NH3+][C@@H](CN[C@H]1CCS(=O)(=O)c2ccc(Br)cc21)c1ccccc1 ZINC000423249068 563359547 /nfs/dbraw/zinc/35/95/47/563359547.db2.gz SOYMKLHLKNMRAP-HOTGVXAUSA-N 1 0 395.322 2.957 20 0 GFADRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccccc2CS(=O)(=O)NC(C)C)[C@H]1SC ZINC000298554033 563359749 /nfs/dbraw/zinc/35/97/49/563359749.db2.gz VDJZZTKCRSCTTE-KZNAEPCWSA-N 1 0 386.583 2.513 20 0 GFADRO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N1CCc2c(Cl)cc(Cl)cc2C1 ZINC000423473875 563360951 /nfs/dbraw/zinc/36/09/51/563360951.db2.gz GXNAPOXTWFJDJX-MRXNPFEDSA-N 1 0 386.323 2.710 20 0 GFADRO C[C@@H](Oc1ccc(F)cc1Br)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000298595670 563361300 /nfs/dbraw/zinc/36/13/00/563361300.db2.gz ZHCGIUGSWKPKKB-VXGBXAGGSA-N 1 0 385.277 2.956 20 0 GFADRO C[C@@H]1c2c(Cl)cc(Cl)cc2CCN1C(=O)C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000423547200 563362028 /nfs/dbraw/zinc/36/20/28/563362028.db2.gz FWIIBVSPJQNIQD-ZMZPIMSZSA-N 1 0 384.307 2.636 20 0 GFADRO C[C@@H]1c2cc(Cl)c(Cl)cc2CCN1C(=O)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000423565885 563362181 /nfs/dbraw/zinc/36/21/81/563362181.db2.gz UZTRHBXREJPLPF-LLVKDONJSA-N 1 0 386.323 2.882 20 0 GFADRO C[C@H](c1ccccc1Br)N(C)C(=O)C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000423561347 563362190 /nfs/dbraw/zinc/36/21/90/563362190.db2.gz LRIYQJUOZAGGHO-ZIAGYGMSSA-N 1 0 396.329 2.556 20 0 GFADRO C[C@@H](C[NH3+])N(C)C(=O)C(=O)N1CCC(=Cc2cc(Cl)ccc2Cl)CC1 ZINC000423694576 563363519 /nfs/dbraw/zinc/36/35/19/563363519.db2.gz FYBMMRLAKPLUOD-LBPRGKRZSA-N 1 0 384.307 2.805 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H]2CN(S(=O)(=O)c3cccc(Cl)c3Br)C[C@H]21 ZINC000374174009 563363843 /nfs/dbraw/zinc/36/38/43/563363843.db2.gz IHLVCTQOTYILBD-CKYFFXLPSA-N 1 0 393.734 2.850 20 0 GFADRO COC[C@@]1(C(=O)N(C)Cc2ccc(Br)cc2Cl)CC[NH2+]C1 ZINC000423878270 563364303 /nfs/dbraw/zinc/36/43/03/563364303.db2.gz PSKQTHHDFFTDOF-OAHLLOKOSA-N 1 0 375.694 2.687 20 0 GFADRO C[C@H](C[S@@](C)=O)[N@H+](C)CCc1nc2sc3c(c2c(N)n1)CC[C@@H](C)C3 ZINC000298722942 563364605 /nfs/dbraw/zinc/36/46/05/563364605.db2.gz BEYLWHARFQLADP-GNDHETMUSA-N 1 0 380.583 2.640 20 0 GFADRO COCCC[N@H+](C)CCNC(=O)Cc1sc(SC(F)(F)F)nc1C ZINC000281061791 563365027 /nfs/dbraw/zinc/36/50/27/563365027.db2.gz YSWKDIBYWICIBO-UHFFFAOYSA-N 1 0 385.477 2.690 20 0 GFADRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2cc(S(C)(=O)=O)ccc2Cl)C1 ZINC000298749818 563365658 /nfs/dbraw/zinc/36/56/58/563365658.db2.gz ODNHNFYXOBNJJW-ZIAGYGMSSA-N 1 0 386.945 2.841 20 0 GFADRO COc1ccc(C(=O)N[C@H](C[NH3+])C2CCCC2)c(I)c1 ZINC000423967647 563365816 /nfs/dbraw/zinc/36/58/16/563365816.db2.gz SYVXOEVEFARNII-CQSZACIVSA-N 1 0 388.249 2.547 20 0 GFADRO [NH3+]CCC[C@@H](NC(=O)CS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 ZINC000423969094 563366477 /nfs/dbraw/zinc/36/64/77/563366477.db2.gz LECKDSJSZMDYEW-QGZVFWFLSA-N 1 0 380.897 2.710 20 0 GFADRO C[C@@H]1CN(C(=O)c2cc(-c3ccc(Br)cc3)n[nH]2)C[C@@]1(C)C[NH3+] ZINC000423986948 563366488 /nfs/dbraw/zinc/36/64/88/563366488.db2.gz UOHNSFQPZRPTSJ-PIGZYNQJSA-N 1 0 377.286 2.896 20 0 GFADRO CCSc1cc(Cl)ccc1C(=O)N1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000424004350 563366889 /nfs/dbraw/zinc/36/68/89/563366889.db2.gz QKCLNYQVJYUKAZ-AWEZNQCLSA-N 1 0 379.917 2.980 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)CCCCOc2ccc(Br)cc2)CCCO1 ZINC000424020286 563367998 /nfs/dbraw/zinc/36/79/98/563367998.db2.gz LVWFWMNKJIWGHD-MRXNPFEDSA-N 1 0 385.302 2.574 20 0 GFADRO O=S(=O)(C[C@H](O)C[NH2+][C@H]1CCC[C@@H](c2cccnc2)C1)c1cccs1 ZINC000374320415 563368310 /nfs/dbraw/zinc/36/83/10/563368310.db2.gz IUPNLNBMVULMPA-HYVNUMGLSA-N 1 0 380.535 2.594 20 0 GFADRO C[C@@H]1C[C@H](C)N(C(=O)c2cc(F)ccc2I)C[C@@H]1C[NH3+] ZINC000424068227 563369260 /nfs/dbraw/zinc/36/92/60/563369260.db2.gz HRKGLLNVFQWBIH-VWYCJHECSA-N 1 0 390.240 2.876 20 0 GFADRO C[C@@H]1C[C@H](C)N(C(=O)Cc2ccc(I)cc2)C[C@H]1C[NH3+] ZINC000424082133 563370319 /nfs/dbraw/zinc/37/03/19/563370319.db2.gz XHMXFUWDBQFVED-MBNYWOFBSA-N 1 0 386.277 2.666 20 0 GFADRO CN(Cc1ccccc1Br)C(=O)C[N@@H+]1CC[C@@H]([C@H]2CCOC2)C1 ZINC000374401706 563371050 /nfs/dbraw/zinc/37/10/50/563371050.db2.gz RKFTWJFTLMHJAD-ZBFHGGJFSA-N 1 0 381.314 2.766 20 0 GFADRO CCn1cc(C(=O)N2C[C@@H](SC)[C@H]([NH+]3CCCC3)C2)c(C(F)(F)F)n1 ZINC000281289734 563371887 /nfs/dbraw/zinc/37/18/87/563371887.db2.gz MQQFAFDBCMADEE-CHWSQXEVSA-N 1 0 376.448 2.574 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2Cc1cc2c(c(Br)c1)OCO2 ZINC000374430462 563372092 /nfs/dbraw/zinc/37/20/92/563372092.db2.gz SLBVLZFGGDLORQ-BMFZPTHFSA-N 1 0 397.313 2.861 20 0 GFADRO O=C(NC[C@H](O)c1cccc(Br)c1)NC1CC([NH+]2CCCCC2)C1 ZINC000374459387 563373342 /nfs/dbraw/zinc/37/33/42/563373342.db2.gz CHOKEOFPGLWYHW-JCYILVPMSA-N 1 0 396.329 2.799 20 0 GFADRO CC[NH+]1CCN(CCCNC(=O)c2ccc(Br)cc2Cl)CC1 ZINC000299018405 563373435 /nfs/dbraw/zinc/37/34/35/563373435.db2.gz MTCBAEGVFBLNLK-UHFFFAOYSA-N 1 0 388.737 2.860 20 0 GFADRO C[C@H]1CC2(CN1C(=O)c1cccc(I)c1)CC[NH2+]CC2 ZINC000424225504 563374380 /nfs/dbraw/zinc/37/43/80/563374380.db2.gz PVUWJEYTYMHDKH-LBPRGKRZSA-N 1 0 384.261 2.895 20 0 GFADRO C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]CCCCS(C)(=O)=O ZINC000424309704 563376170 /nfs/dbraw/zinc/37/61/70/563376170.db2.gz QYFLRXCEBUWDFA-GFCCVEGCSA-N 1 0 380.432 2.837 20 0 GFADRO COc1cc(CCNC(=O)C[N@H+](C)CCCSC)ccc1OC(F)F ZINC000281424639 563377257 /nfs/dbraw/zinc/37/72/57/563377257.db2.gz OYEPXBOYEFBVGR-UHFFFAOYSA-N 1 0 376.469 2.640 20 0 GFADRO Cc1ccc(Br)cc1S(=O)(=O)N1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424393024 563378280 /nfs/dbraw/zinc/37/82/80/563378280.db2.gz QPJZIWNEXQCNCA-ZDUSSCGKSA-N 1 0 387.343 2.910 20 0 GFADRO Cc1cn2c(n1)CN(CC(=O)N[C@@H](C)c1ccc(Br)cc1)CC2 ZINC000374650603 563378831 /nfs/dbraw/zinc/37/88/31/563378831.db2.gz XRSQCWNINPBVDZ-ZDUSSCGKSA-N 1 0 377.286 2.647 20 0 GFADRO CCOc1cc(C[NH2+]C2CCN(CCOC)CC2)cc(Br)c1O ZINC000299259879 563379148 /nfs/dbraw/zinc/37/91/48/563379148.db2.gz XPHNZZKBPUDMSY-UHFFFAOYSA-N 1 0 387.318 2.754 20 0 GFADRO [NH3+]C1CCN(C(=O)NCc2cc(Cl)cc(I)c2)CC1 ZINC000424464756 563379306 /nfs/dbraw/zinc/37/93/06/563379306.db2.gz IHTUEJDNKWDQDJ-UHFFFAOYSA-N 1 0 393.656 2.577 20 0 GFADRO CCN1CC[NH+](C[C@H](C)CNC(=O)Nc2nc(C(F)(F)F)cs2)CC1 ZINC000299276435 563379818 /nfs/dbraw/zinc/37/98/18/563379818.db2.gz RPFSJEWEOARVRX-LLVKDONJSA-N 1 0 379.452 2.557 20 0 GFADRO NC(=O)c1csc(C[NH+]2CCC(Cn3cc(Br)cn3)CC2)c1 ZINC000374691538 563380200 /nfs/dbraw/zinc/38/02/00/563380200.db2.gz DGGAPZFKFBLTHA-UHFFFAOYSA-N 1 0 383.315 2.718 20 0 GFADRO [NH3+][C@@H]1CCCC[C@H]1NC(=O)N[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000424476258 563380384 /nfs/dbraw/zinc/38/03/84/563380384.db2.gz KNPFMNBIJNBAOB-NUEKZKHPSA-N 1 0 381.318 2.597 20 0 GFADRO COCCCCC(=O)Nc1cc(Br)ccc1N1CC[NH+](C)CC1 ZINC000299303177 563380513 /nfs/dbraw/zinc/38/05/13/563380513.db2.gz CNCYCADABHYZAX-UHFFFAOYSA-N 1 0 384.318 2.956 20 0 GFADRO C[C@@H]1CC2(CN1C(=O)C(=O)NCc1cc(Cl)sc1Cl)CC[NH2+]CC2 ZINC000424534726 563380826 /nfs/dbraw/zinc/38/08/26/563380826.db2.gz ZMIYXZLTYZMIRU-SNVBAGLBSA-N 1 0 390.336 2.662 20 0 GFADRO CC(C)CN(C1CC[NH+](C)CC1)S(=O)(=O)c1cncc(Br)c1 ZINC000299344896 563382032 /nfs/dbraw/zinc/38/20/32/563382032.db2.gz PFSRPUYIOOPDCJ-UHFFFAOYSA-N 1 0 390.347 2.585 20 0 GFADRO COc1cc(Br)c(C[N@@H+]2CCCC[C@H]2[C@H]2CNC(=O)C2)cc1O ZINC000374897485 563385970 /nfs/dbraw/zinc/38/59/70/563385970.db2.gz PXWXXEYSKQYUNI-RISCZKNCSA-N 1 0 383.286 2.654 20 0 GFADRO C[C@H](NC(=O)CN1CC[C@H]2CC[N@H+](C)[C@@H]2C1)c1ccc(Br)cc1 ZINC000375025752 563387789 /nfs/dbraw/zinc/38/77/89/563387789.db2.gz ZOIQVPGTTLYZNE-YSVLISHTSA-N 1 0 380.330 2.652 20 0 GFADRO C[C@H]([NH2+]C1CCN(Cc2ccsc2)CC1)c1cccc(S(N)(=O)=O)c1 ZINC000375002743 563387961 /nfs/dbraw/zinc/38/79/61/563387961.db2.gz DHYANUBXDWZLLJ-AWEZNQCLSA-N 1 0 379.551 2.711 20 0 GFADRO CN(C1CC[NH+](C)CC1)S(=O)(=O)c1cc(Cl)ccc1Br ZINC000281967006 563392392 /nfs/dbraw/zinc/39/23/92/563392392.db2.gz LFDZFUMMUHKQPD-UHFFFAOYSA-N 1 0 381.723 2.817 20 0 GFADRO COCc1nc2n(n1)C[C@H]([NH2+]Cc1c(F)ccc(Br)c1F)CC2 ZINC000281998566 563393533 /nfs/dbraw/zinc/39/35/33/563393533.db2.gz LWPJHPIUAPMKQF-SECBINFHSA-N 1 0 387.228 2.570 20 0 GFADRO C[NH+](C)[C@@H](CNc1ccc(S(N)(=O)=O)c(C(F)(F)F)c1)c1ccco1 ZINC000301212104 563396531 /nfs/dbraw/zinc/39/65/31/563396531.db2.gz WBTPNTLEMRRFCZ-LBPRGKRZSA-N 1 0 377.388 2.661 20 0 GFADRO Cn1ncc(N[C@@H](C[NH+]2CCCC2)c2ccccc2)c(Br)c1=O ZINC000301248464 563397960 /nfs/dbraw/zinc/39/79/60/563397960.db2.gz ILGFNKUHMVIIJB-HNNXBMFYSA-N 1 0 377.286 2.792 20 0 GFADRO CNS(=O)(=O)c1ccc(NC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)nc1 ZINC000301421480 563403102 /nfs/dbraw/zinc/40/31/02/563403102.db2.gz NRNGGTZQMUKUDO-SUMWQHHRSA-N 1 0 380.539 2.546 20 0 GFADRO CN(c1cnn(C)c(=O)c1Br)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000301429422 563403392 /nfs/dbraw/zinc/40/33/92/563403392.db2.gz JBSBUFSNOFPDAB-OAHLLOKOSA-N 1 0 391.313 2.644 20 0 GFADRO CN(CC[NH+](C)C)c1ccc(Br)cc1NC(=O)C1CCC(O)CC1 ZINC000425100584 563404332 /nfs/dbraw/zinc/40/43/32/563404332.db2.gz VIPZTNOLGCVZGL-UHFFFAOYSA-N 1 0 398.345 2.937 20 0 GFADRO Cc1c(C(=O)Nc2cc(Br)ccc2N(C)CC[NH+](C)C)cnn1C ZINC000425098360 563404450 /nfs/dbraw/zinc/40/44/50/563404450.db2.gz KUKWRAMQSXKMEZ-UHFFFAOYSA-N 1 0 394.317 2.741 20 0 GFADRO [NH3+][C@@H]1CCC[C@]12CCN(C(=O)c1csc(I)c1)C2 ZINC000375456443 563405730 /nfs/dbraw/zinc/40/57/30/563405730.db2.gz HZHNVRUXXNOBMN-ZWNOBZJWSA-N 1 0 376.263 2.696 20 0 GFADRO C[C@@H]1C[C@@H](Nc2cnn(C)c(=O)c2Br)C[N@@H+]1Cc1ccccc1 ZINC000301640867 563408817 /nfs/dbraw/zinc/40/88/17/563408817.db2.gz YRARZPQDYTXYHH-TZMCWYRMSA-N 1 0 377.286 2.618 20 0 GFADRO CC1CC[NH+](C2CCC(Nc3cnn(C)c(=O)c3Br)CC2)CC1 ZINC000301764761 563412384 /nfs/dbraw/zinc/41/23/84/563412384.db2.gz FYJKOXZFXAZRHN-UHFFFAOYSA-N 1 0 383.334 2.998 20 0 GFADRO COC(=O)[C@@H](C)C[NH+]1CCC(C(=O)Nc2ccccc2Br)CC1 ZINC000375676829 563413713 /nfs/dbraw/zinc/41/37/13/563413713.db2.gz XYZSMUABKMZEIF-LBPRGKRZSA-N 1 0 383.286 2.909 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+]CC1([S@](C)=O)CC1 ZINC000282519096 563414580 /nfs/dbraw/zinc/41/45/80/563414580.db2.gz YASABZKEHVHZDV-QFIPXVFZSA-N 1 0 382.327 2.944 20 0 GFADRO COc1cc2[nH+]ccc(N3CCN4CCOC[C@H]4C3)c2cc1Br ZINC000425247839 563415104 /nfs/dbraw/zinc/41/51/04/563415104.db2.gz PJWJTSLUMTYCTJ-GFCCVEGCSA-N 1 0 378.270 2.527 20 0 GFADRO COc1cc2[nH+]ccc(NC[C@@H]3CCOC[C@H]3OC)c2cc1Br ZINC000425256515 563415111 /nfs/dbraw/zinc/41/51/11/563415111.db2.gz BQBASWGHGKFUBR-APPDUMDISA-N 1 0 381.270 2.891 20 0 GFADRO COC(=O)c1sc(NC[C@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)nc1Cl ZINC000301895005 563415283 /nfs/dbraw/zinc/41/52/83/563415283.db2.gz XMSYYDNRRPBPBM-OLZOCXBDSA-N 1 0 381.885 2.630 20 0 GFADRO CSc1cc(Br)ccc1C[NH2+]CC1(OCCO)CCOCC1 ZINC000282543838 563415585 /nfs/dbraw/zinc/41/55/85/563415585.db2.gz CJXJGSBYGRWKER-UHFFFAOYSA-N 1 0 390.343 2.819 20 0 GFADRO Nc1nc(-n2cccn2)cc(N2CCc3cc(Br)sc3C2)[nH+]1 ZINC000301954453 563416788 /nfs/dbraw/zinc/41/67/88/563416788.db2.gz JHQLPDGVEJNXGH-UHFFFAOYSA-N 1 0 377.271 2.631 20 0 GFADRO CC(C)[N@@H+]1CCc2nc(CNCCn3cc(Br)cn3)sc2C1 ZINC000375738953 563416862 /nfs/dbraw/zinc/41/68/62/563416862.db2.gz VKGFDTCJWXFTLX-UHFFFAOYSA-N 1 0 384.347 2.658 20 0 GFADRO O=C(c1cnccn1)N1CCC([NH2+]Cc2cscc2Br)CC1 ZINC000375750131 563417043 /nfs/dbraw/zinc/41/70/43/563417043.db2.gz KABHUCCFOVBTBP-UHFFFAOYSA-N 1 0 381.299 2.695 20 0 GFADRO CN(Cc1cc(Br)ccc1F)c1cc(-n2cccn2)nc(N)[nH+]1 ZINC000301971141 563417561 /nfs/dbraw/zinc/41/75/61/563417561.db2.gz FVGVKXKNQBJVBP-UHFFFAOYSA-N 1 0 377.221 2.783 20 0 GFADRO C[C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000375795737 563418504 /nfs/dbraw/zinc/41/85/04/563418504.db2.gz RGNSXFKSZYUGNM-DQYPLSBCSA-N 1 0 386.323 2.851 20 0 GFADRO COc1ccc(C[NH2+][C@@H]2CCN(C3CC[NH+](C)CC3)C2)c(Br)c1 ZINC000375783378 563418546 /nfs/dbraw/zinc/41/85/46/563418546.db2.gz CYMQBFRLMCUEEI-OAHLLOKOSA-N 1 0 382.346 2.716 20 0 GFADRO C[N@@H+]1CCC[C@H]2CN(C(=O)C3(c4cncc(Br)c4)CC3)CC[C@@H]21 ZINC000282640184 563419409 /nfs/dbraw/zinc/41/94/09/563419409.db2.gz GWHAIXKKIYJXLG-BBRMVZONSA-N 1 0 378.314 2.818 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH2+][C@@H](C)C(=O)NCCF ZINC000282672282 563420867 /nfs/dbraw/zinc/42/08/67/563420867.db2.gz MXXGMURCGHSVFS-LBPRGKRZSA-N 1 0 397.292 2.815 20 0 GFADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(C)(C)c1csc(-c2cccs2)n1 ZINC000282724388 563422329 /nfs/dbraw/zinc/42/23/29/563422329.db2.gz MESAOORLRKSQRN-ZDUSSCGKSA-N 1 0 378.567 2.511 20 0 GFADRO CC(C)[NH+]1CCC(NC(=O)NC[C@@H](O)c2cccc(Br)c2)CC1 ZINC000282878836 563428538 /nfs/dbraw/zinc/42/85/38/563428538.db2.gz RSTZRKSQLMHBLH-MRXNPFEDSA-N 1 0 384.318 2.655 20 0 GFADRO C[N@@H+]1C[C@@H]2CCCN(C(=O)Nc3cccc(I)c3)[C@@H]2C1 ZINC000425624260 563429446 /nfs/dbraw/zinc/42/94/46/563429446.db2.gz QCDZKEKKOKIWFA-SMDDNHRTSA-N 1 0 385.249 2.849 20 0 GFADRO COCC(C)(C)[NH+]1CCN(C(=O)Nc2ccc(Br)c(C)n2)CC1 ZINC000425670404 563430803 /nfs/dbraw/zinc/43/08/03/563430803.db2.gz RNGFFWIULVJYIS-UHFFFAOYSA-N 1 0 385.306 2.727 20 0 GFADRO CN(C1CCN(c2cc[nH+]cc2)CC1)S(=O)(=O)c1cnc(Cl)c(F)c1 ZINC000376264132 563435139 /nfs/dbraw/zinc/43/51/39/563435139.db2.gz GBONOYPEYUPYPM-UHFFFAOYSA-N 1 0 384.864 2.559 20 0 GFADRO C[N@@H+]1CC[C@H](CNS(=O)(=O)c2cnc(Cl)c(F)c2)[C@@H]1c1cccs1 ZINC000376267940 563435340 /nfs/dbraw/zinc/43/53/40/563435340.db2.gz YAPMWEXCEBYONN-QMTHXVAHSA-N 1 0 389.905 2.907 20 0 GFADRO C[C@H](CS(=O)(=O)c1ccccc1)[NH2+]C[C@@H](O)c1cccc(Br)c1 ZINC000283139409 563436961 /nfs/dbraw/zinc/43/69/61/563436961.db2.gz HBUGETASMUWGSY-CXAGYDPISA-N 1 0 398.322 2.935 20 0 GFADRO CN(Cc1cn2c(n1)CCCC2)S(=O)(=O)c1c(Cl)ccc(F)c1F ZINC000376343680 563438661 /nfs/dbraw/zinc/43/86/61/563438661.db2.gz JYJWRXFEEMONPE-UHFFFAOYSA-N 1 0 375.828 2.972 20 0 GFADRO O=S(=O)(c1ccc(F)cc1Br)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000314768510 563440025 /nfs/dbraw/zinc/44/00/25/563440025.db2.gz RUTAAIGOPJEMBY-FZMZJTMJSA-N 1 0 391.306 2.741 20 0 GFADRO O=S(=O)(c1ccc(Cl)c(Br)c1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000314925648 563440168 /nfs/dbraw/zinc/44/01/68/563440168.db2.gz NAAAYXRMXSNCHS-PHIMTYICSA-N 1 0 393.734 2.723 20 0 GFADRO Cc1cc(NC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)cc(C)c1Br ZINC000426105406 563443183 /nfs/dbraw/zinc/44/31/83/563443183.db2.gz UULAISQWLYRFQK-HUUCEWRRSA-N 1 0 394.313 2.747 20 0 GFADRO O=S(=O)(c1ccc(Br)cc1F)N1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000317628324 563443283 /nfs/dbraw/zinc/44/32/83/563443283.db2.gz UZNKMGSGXZFDQR-KBPBESRZSA-N 1 0 391.306 2.883 20 0 GFADRO C[NH+](C)C[C@](C)(O)CNC(=O)N[C@H]1c2cccc(Br)c2CC1(C)C ZINC000426087456 563443231 /nfs/dbraw/zinc/44/32/31/563443231.db2.gz XLABYTJVSWDXGU-MAUKXSAKSA-N 1 0 398.345 2.684 20 0 GFADRO CC[N@H+](CCNC(=O)N1CCSC2(CCOCC2)C1)CCC(F)(F)F ZINC000426117720 563444327 /nfs/dbraw/zinc/44/43/27/563444327.db2.gz SWEUBRMBKWSONS-UHFFFAOYSA-N 1 0 383.480 2.568 20 0 GFADRO [NH3+][C@H]1CN(C(=O)c2cc(Br)ccc2O)C[C@H]1c1ccc(F)cc1 ZINC000376508028 563444737 /nfs/dbraw/zinc/44/47/37/563444737.db2.gz YVWIVKSLQLKQMN-GJZGRUSLSA-N 1 0 379.229 2.861 20 0 GFADRO C[C@@H]1[C@H](NC(=O)N[C@H]2CCN(c3cccc(Br)c3)C2)CCC[N@@H+]1C ZINC000426215223 563446760 /nfs/dbraw/zinc/44/67/60/563446760.db2.gz RCMGKUGTQBLFQR-UKPHBRMFSA-N 1 0 395.345 2.810 20 0 GFADRO CCC[C@@H]([NH3+])c1cn(CC(=O)N[C@@H](C)c2ccc(Br)cc2)nn1 ZINC000323588909 563450698 /nfs/dbraw/zinc/45/06/98/563450698.db2.gz BTXCRTPLXPCQDJ-SMDDNHRTSA-N 1 0 380.290 2.718 20 0 GFADRO CNC(=O)C[C@H](C)[NH2+]Cc1cc(Br)c(OC)c(Br)c1 ZINC000323078207 563450897 /nfs/dbraw/zinc/45/08/97/563450897.db2.gz YFCBYHQBOIFFEC-QMMMGPOBSA-N 1 0 394.107 2.834 20 0 GFADRO C[NH+](C)Cc1cccc(NC(=O)C(=O)NCc2ccsc2Br)c1 ZINC000283693942 563451119 /nfs/dbraw/zinc/45/11/19/563451119.db2.gz UFMJFWFBBZLJDO-UHFFFAOYSA-N 1 0 396.310 2.827 20 0 GFADRO CNC(=O)c1cccc(NC(=O)N2CC[C@H]([NH+]3CCCC3)C2)c1Br ZINC000376754615 563452853 /nfs/dbraw/zinc/45/28/53/563452853.db2.gz INJAIZFDJKIKCO-LBPRGKRZSA-N 1 0 395.301 2.511 20 0 GFADRO CN(CCC[NH+]1CCCC1)C(=O)CCN1C(=S)N=NC1c1cccs1 ZINC000283814329 563455868 /nfs/dbraw/zinc/45/58/68/563455868.db2.gz YFMGQBIYSURPDR-UHFFFAOYSA-N 1 0 379.555 2.630 20 0 GFADRO O[C@]1(C[NH2+]Cc2c(Br)cncc2Br)CCSC1 ZINC000284078402 563463727 /nfs/dbraw/zinc/46/37/27/563463727.db2.gz NLVVALZVDVUQBL-NSHDSACASA-N 1 0 382.121 2.564 20 0 GFADRO Cc1csc(-c2cccc(S(=O)(=O)N3C[C@@H]4CCC[N@H+]4C[C@H]3C)c2)n1 ZINC000328828379 563466405 /nfs/dbraw/zinc/46/64/05/563466405.db2.gz QQKWVTYCKFXUBW-ZBFHGGJFSA-N 1 0 377.535 2.976 20 0 GFADRO CN(C)c1ccc(S(=O)(=O)NC[C@H]2CC[N@H+](C)[C@@H]2c2cccs2)cc1 ZINC000377208513 563466523 /nfs/dbraw/zinc/46/65/23/563466523.db2.gz KCGDWNITPIEXGF-KDOFPFPSSA-N 1 0 379.551 2.785 20 0 GFADRO C[NH+](C)[C@H]1CCCN(C(=O)C(C)(C)S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000377203323 563466891 /nfs/dbraw/zinc/46/68/91/563466891.db2.gz HTELVWGAZWKKDX-HNNXBMFYSA-N 1 0 386.945 2.835 20 0 GFADRO C[C@@H]([NH2+][C@H](c1cncc(Br)c1)C1CC1)C(=O)Nc1ncccn1 ZINC000284315156 563470059 /nfs/dbraw/zinc/47/00/59/563470059.db2.gz ASFNXYUJQJZDEN-YGRLFVJLSA-N 1 0 376.258 2.702 20 0 GFADRO C[C@H](CNC(=O)C1CC[NH+](Cc2ccc(Cl)s2)CC1)c1nncn1C ZINC000377324785 563470566 /nfs/dbraw/zinc/47/05/66/563470566.db2.gz ZWJCRIOGOAZRLQ-GFCCVEGCSA-N 1 0 381.933 2.662 20 0 GFADRO O[C@H](COc1c(Cl)cccc1Cl)CN1CCOC[C@H]1[C@@H]1CCCO1 ZINC000329076711 563472210 /nfs/dbraw/zinc/47/22/10/563472210.db2.gz QAWPFVSCUKWWCB-RCBQFDQVSA-N 1 0 376.280 2.613 20 0 GFADRO C[C@H](CNC(=O)c1cc(Cl)cc(F)c1Br)N1CC[NH+](C)CC1 ZINC000284452116 563475483 /nfs/dbraw/zinc/47/54/83/563475483.db2.gz VTYFKMKBSQQKRB-SNVBAGLBSA-N 1 0 392.700 2.607 20 0 GFADRO CCOC(=O)c1cc(Cl)cc(S(=O)(=O)N(C)CC[C@@H]([NH3+])C(C)C)c1 ZINC000427957809 563478943 /nfs/dbraw/zinc/47/89/43/563478943.db2.gz HHQIJVPSSPWUEO-OAHLLOKOSA-N 1 0 376.906 2.511 20 0 GFADRO O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccn(-c2cccc(Br)c2)n1 ZINC000377574818 563479078 /nfs/dbraw/zinc/47/90/78/563479078.db2.gz ISGAHBRVFSEEQQ-LSDHHAIUSA-N 1 0 389.297 2.991 20 0 GFADRO O=S(=O)(c1ccc2cc(Br)ccc2c1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000427931248 563479296 /nfs/dbraw/zinc/47/92/96/563479296.db2.gz LJSLITKIEHPKFM-WMLDXEAASA-N 1 0 395.322 2.975 20 0 GFADRO Brc1cccc(Cc2noc(CN3CC[C@@H]4[NH2+]CC[C@@H]4C3)n2)c1 ZINC000428034206 563480707 /nfs/dbraw/zinc/48/07/07/563480707.db2.gz NNTKWKCDJYKMSP-HIFRSBDPSA-N 1 0 377.286 2.607 20 0 GFADRO OC[C@@H]1C[C@H](O)C[N@@H+]1[C@@H](Cc1ccccn1)c1ccc(Br)cc1 ZINC000377614620 563480967 /nfs/dbraw/zinc/48/09/67/563480967.db2.gz JFSCYUJICQYQRS-BZSNNMDCSA-N 1 0 377.282 2.555 20 0 GFADRO CC(C)[C@]1(CO)CC[N@H+](CC(=O)N(C)Cc2cc(Br)cs2)C1 ZINC000377732828 563484986 /nfs/dbraw/zinc/48/49/86/563484986.db2.gz PMMGOACSODCRRT-MRXNPFEDSA-N 1 0 389.359 2.809 20 0 GFADRO Cc1nn(C)c(C)c1C[C@H](C)[NH2+][C@@H](C)Cn1cc(Br)ccc1=O ZINC000428218560 563485264 /nfs/dbraw/zinc/48/52/64/563485264.db2.gz MPCJXXWDOFAPGU-RYUDHWBXSA-N 1 0 381.318 2.570 20 0 GFADRO O=C(C[NH2+][C@H](c1cncc(Br)c1)C1CC1)NCc1cccnc1 ZINC000284670088 563485216 /nfs/dbraw/zinc/48/52/16/563485216.db2.gz GWORPHHDCGJXOO-KRWDZBQOSA-N 1 0 375.270 2.596 20 0 GFADRO C[C@@H]1CCC[N@H+](CCCCNC(=O)C(=O)N(C)Cc2ccc(Cl)s2)C1 ZINC000284683688 563485931 /nfs/dbraw/zinc/48/59/31/563485931.db2.gz OFXMQJSHLLEINQ-CQSZACIVSA-N 1 0 385.961 2.988 20 0 GFADRO Fc1ccc(I)c(F)c1C[NH2+][C@H]1CCc2nc[nH]c2C1 ZINC000377788550 563486220 /nfs/dbraw/zinc/48/62/20/563486220.db2.gz XFKWSFUCNDTDRI-QMMMGPOBSA-N 1 0 389.187 2.940 20 0 GFADRO CC(C)[NH+]1CCN([C@H]2CCN(C[C@H](O)c3cccc(Br)c3)C2)CC1 ZINC000377898354 563490128 /nfs/dbraw/zinc/49/01/28/563490128.db2.gz BQWFSBOHTWCFFG-OALUTQOASA-N 1 0 396.373 2.583 20 0 GFADRO COCCS(=O)(=O)c1ccc(C[NH2+]Cc2cncc(Br)c2)cc1 ZINC000428554710 563495238 /nfs/dbraw/zinc/49/52/38/563495238.db2.gz SZIKTTJXKUOFRZ-UHFFFAOYSA-N 1 0 399.310 2.554 20 0 GFADRO CC[C@H](C(=O)N[C@H](C)c1ccc(Br)cc1OCCCO)[NH+](C)C ZINC000428589959 563496909 /nfs/dbraw/zinc/49/69/09/563496909.db2.gz NOUHWRIGPZBLSA-IUODEOHRSA-N 1 0 387.318 2.728 20 0 GFADRO C[NH+]1CCC(NC(=O)C(=O)NCC(C)(C)c2ccc(Cl)c(Cl)c2)CC1 ZINC000284984216 563498107 /nfs/dbraw/zinc/49/81/07/563498107.db2.gz SKDDEONYBPFCAS-UHFFFAOYSA-N 1 0 386.323 2.598 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)[C@H]1CCC[N@@H+]1C1CC1 ZINC000330212384 563498999 /nfs/dbraw/zinc/49/89/99/563498999.db2.gz KBKJYRANAWJONE-MRXNPFEDSA-N 1 0 394.313 2.781 20 0 GFADRO C[NH+]1CCC2(CCCN2C(=O)Cc2ccccc2I)CC1 ZINC000378332400 563503132 /nfs/dbraw/zinc/50/31/32/563503132.db2.gz BIXMIWFKZQKPGU-UHFFFAOYSA-N 1 0 398.288 2.921 20 0 GFADRO C[C@H](NC(=O)[C@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1)[C@@H]1CCC[NH2+]C1 ZINC000428955044 563504774 /nfs/dbraw/zinc/50/47/74/563504774.db2.gz SYKIFEGAJKEZFU-XQQFMLRXSA-N 1 0 384.307 2.851 20 0 GFADRO C[N@H+](CCNC(=O)C(=O)N(Cc1cccs1)Cc1cccs1)C1CC1 ZINC000285151272 563505482 /nfs/dbraw/zinc/50/54/82/563505482.db2.gz SSACJELKZCKOBN-UHFFFAOYSA-N 1 0 377.535 2.549 20 0 GFADRO OC[C@@H]([NH2+]C[C@@H](O)COCc1ccccc1)c1ccc(Br)c(F)c1 ZINC000428998069 563506183 /nfs/dbraw/zinc/50/61/83/563506183.db2.gz GIDUOVSDOLEETB-CRAIPNDOSA-N 1 0 398.272 2.789 20 0 GFADRO CN(C(=O)NCCCn1ccnc1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000285161897 563506365 /nfs/dbraw/zinc/50/63/65/563506365.db2.gz SPHIXBZTWBLINI-CVEARBPZSA-N 1 0 383.279 2.880 20 0 GFADRO Cc1nn2c(C[NH2+][C@@H]3CCC(=O)N(C)[C@H]3c3cccs3)c(C)nc2s1 ZINC000378448661 563507861 /nfs/dbraw/zinc/50/78/61/563507861.db2.gz DEGBFKWAZTYGOW-MLGOLLRUSA-N 1 0 375.523 2.921 20 0 GFADRO OC[C@H]([NH2+]C[C@@H](O)COc1ccccc1)c1ccc(Br)c(F)c1 ZINC000429016001 563508018 /nfs/dbraw/zinc/50/80/18/563508018.db2.gz AIRAOGPZAOZUEU-DYVFJYSZSA-N 1 0 384.245 2.651 20 0 GFADRO O=C(Cc1ccc(F)c(Br)c1)Nc1ccc(N2CC[NH2+]CC2)cn1 ZINC000429043767 563508474 /nfs/dbraw/zinc/50/84/74/563508474.db2.gz BMABXWWDUSWCPH-UHFFFAOYSA-N 1 0 393.260 2.574 20 0 GFADRO CCS(=O)(=O)NCC[NH2+][C@@H](c1cc(Cl)ccc1Cl)[C@H]1CCOC1 ZINC000378472397 563508673 /nfs/dbraw/zinc/50/86/73/563508673.db2.gz JALDLDFCKDYJHZ-XHDPSFHLSA-N 1 0 381.325 2.600 20 0 GFADRO [NH3+]C[C@@H]1CCN(C(=O)c2cccn2-c2ccc(I)cc2)C1 ZINC000429077182 563509134 /nfs/dbraw/zinc/50/91/34/563509134.db2.gz UQERXEUVIAFKFB-LBPRGKRZSA-N 1 0 395.244 2.503 20 0 GFADRO C[C@H]1CN(C(=O)c2cc(I)ccc2Cl)CC[C@@H]1[NH3+] ZINC000429126074 563510377 /nfs/dbraw/zinc/51/03/77/563510377.db2.gz FJUDHBZPNTWKPY-UFBFGSQYSA-N 1 0 378.641 2.754 20 0 GFADRO C[C@@H]1CCCN(C(=O)c2cc(F)ccc2I)[C@@H]1C[NH3+] ZINC000429162364 563510682 /nfs/dbraw/zinc/51/06/82/563510682.db2.gz LNVXIGPERUHONF-NOZJJQNGSA-N 1 0 376.213 2.630 20 0 GFADRO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)[C@H](c1ccc(Cl)cc1Cl)N1CCOCC1 ZINC000429136448 563510800 /nfs/dbraw/zinc/51/08/00/563510800.db2.gz RPSWZCAZZKLJMS-ZLIFDBKOSA-N 1 0 386.323 2.610 20 0 GFADRO Cc1sc2nc(CS[C@@H](C)C(=O)NC[C@H]([NH3+])C(C)C)[nH]c(=O)c2c1C ZINC000429195270 563511441 /nfs/dbraw/zinc/51/14/41/563511441.db2.gz VSTFCLXHBFRCLZ-RYUDHWBXSA-N 1 0 382.555 2.735 20 0 GFADRO Cc1cc(C(=O)N2CC[C@@H]([NH3+])[C@@H](C)C2)nn1-c1ccc(Br)cc1 ZINC000429183271 563511653 /nfs/dbraw/zinc/51/16/53/563511653.db2.gz NZXJRQIQLBHIQP-XHDPSFHLSA-N 1 0 377.286 2.753 20 0 GFADRO CS(=O)(=O)N[C@H]1CCCC[C@H]1[NH2+]CCOc1c(Cl)cccc1Cl ZINC000330600927 563512344 /nfs/dbraw/zinc/51/23/44/563512344.db2.gz GCTQJSLVCMUQLM-KGLIPLIRSA-N 1 0 381.325 2.822 20 0 GFADRO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)CN1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000330603429 563513435 /nfs/dbraw/zinc/51/34/35/563513435.db2.gz XJMKCPMSPNVXAQ-MNOVXSKESA-N 1 0 388.295 2.743 20 0 GFADRO Cc1c(Br)cccc1C[NH2+][C@@H]1CCCC[C@@H]1NS(C)(=O)=O ZINC000330615006 563514161 /nfs/dbraw/zinc/51/41/61/563514161.db2.gz UCBZGWAHRYPCBG-CABCVRRESA-N 1 0 375.332 2.708 20 0 GFADRO C[C@H](NC(=O)c1ccc(Br)cc1)C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000429327562 563514949 /nfs/dbraw/zinc/51/49/49/563514949.db2.gz KPJPHIMWGWLGOK-BLLLJJGKSA-N 1 0 396.329 2.591 20 0 GFADRO C[C@H]1[C@@H]([NH+](C)C)CCN1S(=O)(=O)c1ccc(Br)cc1Cl ZINC000380791175 563515716 /nfs/dbraw/zinc/51/57/16/563515716.db2.gz VCYKKBAHCMKXRN-CABZTGNLSA-N 1 0 381.723 2.816 20 0 GFADRO C[NH2+]C1CCN(C(=O)[C@@H](c2ccc(Cl)cc2Cl)N2CCOCC2)CC1 ZINC000429411140 563516361 /nfs/dbraw/zinc/51/63/61/563516361.db2.gz VXGMKMOMPKFLJZ-QGZVFWFLSA-N 1 0 386.323 2.577 20 0 GFADRO Cc1cc(Br)c(NC(=O)CN(C)[C@H](C)C[NH3+])c(Br)c1 ZINC000382970744 563516699 /nfs/dbraw/zinc/51/66/99/563516699.db2.gz BUEOMFANSFSECG-SECBINFHSA-N 1 0 393.123 2.738 20 0 GFADRO COc1cc(C[NH2+]CC2(S(C)(=O)=O)CCCC2)cc(Br)c1O ZINC000285389841 563518248 /nfs/dbraw/zinc/51/82/48/563518248.db2.gz DFYCIPCGPASTBZ-UHFFFAOYSA-N 1 0 392.315 2.610 20 0 GFADRO CCOc1c(Br)cc(C[NH2+]CCC2(O)CCOCC2)cc1OC ZINC000285406637 563518980 /nfs/dbraw/zinc/51/89/80/563518980.db2.gz FOUIWJUOGZYRTG-UHFFFAOYSA-N 1 0 388.302 2.878 20 0 GFADRO O=S(=O)(c1ccc(F)cc1Br)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000387839392 563519367 /nfs/dbraw/zinc/51/93/67/563519367.db2.gz FKADATJPKHCUQD-UONOGXRCSA-N 1 0 391.306 2.883 20 0 GFADRO O=S(=O)(c1ccc(F)cc1Br)N1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000387839393 563519442 /nfs/dbraw/zinc/51/94/42/563519442.db2.gz FKADATJPKHCUQD-ZIAGYGMSSA-N 1 0 391.306 2.883 20 0 GFADRO C[NH+](C)CCCC(C)(C)NS(=O)(=O)c1ccc(F)cc1Br ZINC000387388911 563519489 /nfs/dbraw/zinc/51/94/89/563519489.db2.gz ZLCADQQJFXYGSF-UHFFFAOYSA-N 1 0 381.311 2.987 20 0 GFADRO CC(=O)N[C@@H](CC(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1)c1ccc(Br)cc1 ZINC000330783625 563521056 /nfs/dbraw/zinc/52/10/56/563521056.db2.gz IMIXTXNRQZKKDN-AHIWAGSCSA-N 1 0 396.329 2.567 20 0 GFADRO CN1CCN(C(=O)CC[N@H+](C)CC2(c3ccc(Br)cc3)CC2)CC1 ZINC000429682009 563521170 /nfs/dbraw/zinc/52/11/70/563521170.db2.gz XOCFILHCFADCGA-UHFFFAOYSA-N 1 0 394.357 2.577 20 0 GFADRO CN(C)S(=O)(=O)c1cccc(C[NH2+]Cc2ccc(Br)cc2)c1 ZINC000390178606 563522667 /nfs/dbraw/zinc/52/26/67/563522667.db2.gz DXRVFFAPHYHAOV-UHFFFAOYSA-N 1 0 383.311 2.989 20 0 GFADRO C[C@@H]1C[C@H](NS(=O)(=O)c2cc(Cl)ccc2Br)CC[N@@H+]1C ZINC000429814028 563523305 /nfs/dbraw/zinc/52/33/05/563523305.db2.gz KUHPCGNVWBXCHQ-MWLCHTKSSA-N 1 0 381.723 2.864 20 0 GFADRO Brc1cnccc1NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000390872313 563523358 /nfs/dbraw/zinc/52/33/58/563523358.db2.gz QMECJBRPERZVMF-MRXNPFEDSA-N 1 0 376.298 2.969 20 0 GFADRO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)c2cscc2Br)CC1 ZINC000285512744 563524296 /nfs/dbraw/zinc/52/42/96/563524296.db2.gz QZHXZUWGYGDQCD-CYBMUJFWSA-N 1 0 386.359 2.753 20 0 GFADRO CN(C)C(=O)N1CCC([NH2+]Cc2cc(Br)cc3c2OCC3)CC1 ZINC000391258516 563524369 /nfs/dbraw/zinc/52/43/69/563524369.db2.gz CUBYQTGVGYWQFM-UHFFFAOYSA-N 1 0 382.302 2.620 20 0 GFADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)COc2ccc(Br)cc2C(C)=O)C1 ZINC000285522812 563525143 /nfs/dbraw/zinc/52/51/43/563525143.db2.gz BFOGIZRTGUSWPT-AWEZNQCLSA-N 1 0 397.313 2.831 20 0 GFADRO CNS(=O)(=O)NC1CC[NH+](Cc2ccc(-c3ccc(C)cc3)s2)CC1 ZINC000330899477 563526068 /nfs/dbraw/zinc/52/60/68/563526068.db2.gz JDIUFOIDCVXVPJ-UHFFFAOYSA-N 1 0 379.551 2.742 20 0 GFADRO COc1c(Cl)cc(Cl)cc1C[NH2+][C@H]1CCCC[C@@H]1NS(C)(=O)=O ZINC000331015140 563531313 /nfs/dbraw/zinc/53/13/13/563531313.db2.gz PAVADOGPEIYCTP-KBPBESRZSA-N 1 0 381.325 2.952 20 0 GFADRO COc1c(Cl)cc(Cl)cc1C[NH2+][C@@H]1CCCC[C@H]1NS(C)(=O)=O ZINC000331015143 563531355 /nfs/dbraw/zinc/53/13/55/563531355.db2.gz PAVADOGPEIYCTP-ZIAGYGMSSA-N 1 0 381.325 2.952 20 0 GFADRO C[C@@H]1C[C@@H](C)N(S(=O)(=O)c2ccc(Br)c(F)c2)C[C@@H]1C[NH3+] ZINC000397263485 563531570 /nfs/dbraw/zinc/53/15/70/563531570.db2.gz IGFRSXKAUPSRIY-MXWKQRLJSA-N 1 0 379.295 2.582 20 0 GFADRO Brc1cccc(-c2noc(Cn3cc([C@H]4CCC[NH2+]C4)nn3)n2)c1 ZINC000404669542 563536851 /nfs/dbraw/zinc/53/68/51/563536851.db2.gz AXZDGPQIISNLSY-LBPRGKRZSA-N 1 0 389.257 2.606 20 0 GFADRO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC[C@@H](CO)Cc1ccc(Br)cc1 ZINC000430178492 563537896 /nfs/dbraw/zinc/53/78/96/563537896.db2.gz MKMBRGRFXYCFFV-FMKPAKJESA-N 1 0 383.330 2.589 20 0 GFADRO C[C@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2F)[C@H]1CC[NH3+] ZINC000405248958 563538546 /nfs/dbraw/zinc/53/85/46/563538546.db2.gz ISUISEWZNFDSHS-GWCFXTLKSA-N 1 0 379.295 2.726 20 0 GFADRO [NH3+][C@H]1CC[C@@H](C(=O)N2CCC(C(=O)Nc3cccc(Br)c3)CC2)C1 ZINC000430253460 563539610 /nfs/dbraw/zinc/53/96/10/563539610.db2.gz FCSSNVCCEQSJAR-HIFRSBDPSA-N 1 0 394.313 2.754 20 0 GFADRO O=C(C[C@H]1CCC[NH2+]1)N1CCC(C(=O)Nc2cccc(Br)c2)CC1 ZINC000430255033 563539641 /nfs/dbraw/zinc/53/96/41/563539641.db2.gz HREPVDRJBNXGIV-OAHLLOKOSA-N 1 0 394.313 2.768 20 0 GFADRO O=C(C[C@H]1COCC[NH2+]1)NCCCCSc1ccccc1Br ZINC000285856302 563539667 /nfs/dbraw/zinc/53/96/67/563539667.db2.gz YIRLFWAWDCJFBQ-ZDUSSCGKSA-N 1 0 387.343 2.816 20 0 GFADRO O=C1CCCN1CC[NH2+]Cc1cc(Cl)ccc1I ZINC000405497837 563539809 /nfs/dbraw/zinc/53/98/09/563539809.db2.gz RBDPDAAPNFVEPI-UHFFFAOYSA-N 1 0 378.641 2.657 20 0 GFADRO COc1cc(Br)ccc1CNC(=O)N1CC[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000430273593 563540408 /nfs/dbraw/zinc/54/04/08/563540408.db2.gz NXAMUALAKSDFOR-DOMZBBRYSA-N 1 0 382.302 2.693 20 0 GFADRO COCC[C@]1(C(=O)N[C@H](C)CCc2ccc(Br)cc2)CC[NH2+]C1 ZINC000430304989 563541201 /nfs/dbraw/zinc/54/12/01/563541201.db2.gz WGXPHTGPFSCNRU-RDTXWAMCSA-N 1 0 383.330 2.903 20 0 GFADRO CCc1nc(C(=O)N2CCC[N@H+](C)CC2)nn1-c1c(Cl)cccc1Cl ZINC000408038534 563542748 /nfs/dbraw/zinc/54/27/48/563542748.db2.gz MYFJJRRHKIAJKN-UHFFFAOYSA-N 1 0 382.295 2.914 20 0 GFADRO C[C@H](C(=O)Nc1ccccc1Br)N1CCC(OCCC[NH3+])CC1 ZINC000430580817 563545642 /nfs/dbraw/zinc/54/56/42/563545642.db2.gz NATKURHHCFHXLA-CYBMUJFWSA-N 1 0 384.318 2.606 20 0 GFADRO CC(=O)c1cc(Br)ccc1OCC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000286024503 563546062 /nfs/dbraw/zinc/54/60/62/563546062.db2.gz IVSJGVLLODYPPR-CABCVRRESA-N 1 0 395.297 2.726 20 0 GFADRO Cc1ccc(C[NH2+][C@H]2CCCC[C@H]2NS(C)(=O)=O)c(Br)c1 ZINC000331352934 563547109 /nfs/dbraw/zinc/54/71/09/563547109.db2.gz ZQUXUMGDORWCSF-LSDHHAIUSA-N 1 0 375.332 2.708 20 0 GFADRO CS(=O)(=O)C1CCC([NH2+]Cc2c(Cl)cccc2N2CCOCC2)CC1 ZINC000331365172 563547140 /nfs/dbraw/zinc/54/71/40/563547140.db2.gz CAWZEMNWFWSLIJ-UHFFFAOYSA-N 1 0 386.945 2.622 20 0 GFADRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1cnc2ccc(Br)cc2c1O ZINC000408192868 563547239 /nfs/dbraw/zinc/54/72/39/563547239.db2.gz ANRNRLIKPDLQFS-BZNIZROVSA-N 1 0 392.297 2.703 20 0 GFADRO [NH3+]CC[C@@H]1CCCCN1C(=O)c1ccc(I)c(F)c1 ZINC000286065362 563547592 /nfs/dbraw/zinc/54/75/92/563547592.db2.gz MAKWDFWCENEATC-NSHDSACASA-N 1 0 376.213 2.774 20 0 GFADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@@H]1C[C@H]1c1ccccc1Br ZINC000430712826 563548136 /nfs/dbraw/zinc/54/81/36/563548136.db2.gz FAYPZONLLDUAEH-JLJPHGGASA-N 1 0 396.329 2.715 20 0 GFADRO CC[C@H](C[C@H](C)CO)[NH2+][C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430719057 563548147 /nfs/dbraw/zinc/54/81/47/563548147.db2.gz DHDUPYZSTUYGSI-GMXVVIOVSA-N 1 0 393.347 2.544 20 0 GFADRO CSCCCC[NH2+][C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430723637 563548171 /nfs/dbraw/zinc/54/81/71/563548171.db2.gz SNGLWZLESVEDSL-JTQLQIEISA-N 1 0 381.361 2.890 20 0 GFADRO [NH3+][C@H]1CCCCCC[C@@H]1C(=O)NCc1nc2cc(Br)cnc2[nH]1 ZINC000430796295 563548866 /nfs/dbraw/zinc/54/88/66/563548866.db2.gz YGKHFUPHUOXDKA-RYUDHWBXSA-N 1 0 380.290 2.634 20 0 GFADRO CO[C@H]1C[C@@H](CO)[N@H+](CC(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000331456155 563549899 /nfs/dbraw/zinc/54/98/99/563549899.db2.gz APRYGQAXBWNXMT-ZQIUZPCESA-N 1 0 387.307 2.739 20 0 GFADRO CC[NH+](CC)CCOCCNC(=O)N[C@@H]1C[C@H]1c1ccccc1Br ZINC000430887898 563550321 /nfs/dbraw/zinc/55/03/21/563550321.db2.gz XOOUFIOCJCAQFI-DOTOQJQBSA-N 1 0 398.345 2.963 20 0 GFADRO C[C@H](c1ccccc1Cl)N1CC[NH+](C[C@@H](O)COCC(F)(F)F)CC1 ZINC000431093659 563553709 /nfs/dbraw/zinc/55/37/09/563553709.db2.gz MMPYOULSQYUWJO-ZIAGYGMSSA-N 1 0 380.838 2.958 20 0 GFADRO COc1ccc(S(=O)(=O)N[C@H]2C[N@@H+](C3CC3)C[C@@H]2C)c(Cl)c1Cl ZINC000331593863 563554123 /nfs/dbraw/zinc/55/41/23/563554123.db2.gz YFFQTVYTYNLQDJ-ONGXEEELSA-N 1 0 379.309 2.763 20 0 GFADRO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCc1cc(Br)c2c(c1)OCCO2 ZINC000331688843 563557961 /nfs/dbraw/zinc/55/79/61/563557961.db2.gz UFBYXHNSMKRXFG-TXEJJXNPSA-N 1 0 383.286 2.709 20 0 GFADRO C[C@H](NC(=O)N(C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O)[C@H]1CCC[NH2+]C1 ZINC000331728636 563559535 /nfs/dbraw/zinc/55/95/35/563559535.db2.gz ZPMMURCEXXDWKD-NXKWAJLKSA-N 1 0 386.323 2.981 20 0 GFADRO CNC(=O)CC[C@@H]1CCCC[N@@H+]1Cc1nnc(-c2ccc(Br)o2)o1 ZINC000286430522 563560365 /nfs/dbraw/zinc/56/03/65/563560365.db2.gz KZZCEJNOEVYUDA-NSHDSACASA-N 1 0 397.273 2.973 20 0 GFADRO COC(=O)c1csc(S(=O)(=O)N2CCC[C@@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)c1 ZINC000409469507 563561522 /nfs/dbraw/zinc/56/15/22/563561522.db2.gz NHBZHSOFHIXFAR-VNHYZAJKSA-N 1 0 386.539 2.561 20 0 GFADRO O=C(NCCNc1cc[nH+]cc1)[C@H]1C[C@]12CCc1cc(Br)ccc12 ZINC000409482187 563561950 /nfs/dbraw/zinc/56/19/50/563561950.db2.gz FKVYCULDQHFVGF-MJGOQNOKSA-N 1 0 386.293 2.698 20 0 GFADRO Cc1ncc(Br)cc1NC(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000331779355 563562101 /nfs/dbraw/zinc/56/21/01/563562101.db2.gz HGLQKJBOISYIDW-AWEZNQCLSA-N 1 0 397.317 2.729 20 0 GFADRO Cc1c([C@H]2[C@H]([NH2+]Cc3ccccc3Br)CC(=O)N2C)cnn1C ZINC000331956995 563568989 /nfs/dbraw/zinc/56/89/89/563568989.db2.gz HIJOVYROBCHFSJ-WBVHZDCISA-N 1 0 377.286 2.553 20 0 GFADRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3cn4ccc(Br)cc4n3)CC[C@H]21 ZINC000286651119 563569448 /nfs/dbraw/zinc/56/94/48/563569448.db2.gz CKHHAJSCEWRNQG-SWLSCSKDSA-N 1 0 377.286 2.653 20 0 GFADRO COC(=O)[C@@]1(C(F)(F)F)CC[N@H+](C[C@@H](O)COc2ccccc2Cl)C1 ZINC000286713626 563571150 /nfs/dbraw/zinc/57/11/50/563571150.db2.gz WVPLPZUFLGVIHT-IAQYHMDHSA-N 1 0 381.778 2.507 20 0 GFADRO CC1=CC[N@H+](CCNC(=O)N[C@H]2COc3cc(F)c(Br)cc32)CC1 ZINC000409783746 563571218 /nfs/dbraw/zinc/57/12/18/563571218.db2.gz MGVMWUODDJTLGF-HNNXBMFYSA-N 1 0 398.276 2.973 20 0 GFADRO CC(C)(C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1)c1ccccc1Br ZINC000409800204 563571673 /nfs/dbraw/zinc/57/16/73/563571673.db2.gz JKDVLXHCXTYGKJ-OAHLLOKOSA-N 1 0 395.341 2.907 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1c(C)cc(C)cc1Br ZINC000431968758 563572426 /nfs/dbraw/zinc/57/24/26/563572426.db2.gz JWWFFEQHUAOZLE-ZDUSSCGKSA-N 1 0 382.302 2.605 20 0 GFADRO O=C(CCCc1cc(Cl)sc1Cl)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000286734718 563573101 /nfs/dbraw/zinc/57/31/01/563573101.db2.gz KDLSDTJYFVWZQB-ZDUSSCGKSA-N 1 0 376.353 2.884 20 0 GFADRO C[C@H]1C[N@H+](CCCNS(=O)(=O)c2ccc(Cl)c(F)c2Cl)CCCO1 ZINC000432335749 563581480 /nfs/dbraw/zinc/58/14/80/563581480.db2.gz LBRKTMZEHNVKOZ-NSHDSACASA-N 1 0 399.315 2.912 20 0 GFADRO COC(=O)[C@@H](c1ccsc1)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000410342657 563587240 /nfs/dbraw/zinc/58/72/40/563587240.db2.gz NFOSNXQXXWEORQ-CQSZACIVSA-N 1 0 380.432 2.549 20 0 GFADRO CS(=O)(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cn2cc(Cl)cc(Cl)c2n1 ZINC000332254103 563587638 /nfs/dbraw/zinc/58/76/38/563587638.db2.gz UREGGJRCFZWVHM-ZIAGYGMSSA-N 1 0 391.324 2.591 20 0 GFADRO CN(Cc1ccc(Cl)s1)C(=O)C(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000410429179 563591365 /nfs/dbraw/zinc/59/13/65/563591365.db2.gz AAZQUKKUYBLFAN-UHFFFAOYSA-N 1 0 383.945 2.837 20 0 GFADRO CC(C)[C@H](C(=O)Nc1cc2ccc(Br)cn2n1)[NH+]1CCCCC1 ZINC000432785366 563593691 /nfs/dbraw/zinc/59/36/91/563593691.db2.gz SUSMFNMJFDALSU-MRXNPFEDSA-N 1 0 379.302 3.546 20 0 GFADRO CNC(=O)c1cccc(NC(=O)NCC[N@@H+]2CCCC[C@@H]2C)c1Br ZINC000287373227 563598541 /nfs/dbraw/zinc/59/85/41/563598541.db2.gz KUDYRPUQXWPBLD-LBPRGKRZSA-N 1 0 397.317 2.805 20 0 GFADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNc1nc2cc(Cl)cc(Cl)c2o1 ZINC000433037738 563601024 /nfs/dbraw/zinc/60/10/24/563601024.db2.gz CIQLZTUASLFVMD-CQSZACIVSA-N 1 0 385.295 3.489 20 0 GFADRO COC(=O)c1cc(NC(=O)N2CCC[N@H+](C)CC2)c(C)cc1Br ZINC000287422747 563601127 /nfs/dbraw/zinc/60/11/27/563601127.db2.gz OCXCVOTWSQQZRZ-UHFFFAOYSA-N 1 0 384.274 2.714 20 0 GFADRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)N1CCc2cc(Cl)c(Cl)cc2[C@@H]1C ZINC000332491686 563601817 /nfs/dbraw/zinc/60/18/17/563601817.db2.gz OXYIWMBCBAXMHC-GDLVEWKHSA-N 1 0 384.307 2.553 20 0 GFADRO CN1CC[N@H+](C)C[C@H]1CNc1ccc(-c2ccc(Br)s2)nn1 ZINC000287440614 563602023 /nfs/dbraw/zinc/60/20/23/563602023.db2.gz RBJCRRGZOOLAGL-LLVKDONJSA-N 1 0 382.331 2.625 20 0 GFADRO Cc1cc(NC(=O)CNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)ccc1Br ZINC000332546272 563604009 /nfs/dbraw/zinc/60/40/09/563604009.db2.gz GKYCMNRHBIFNRT-BETUJISGSA-N 1 0 382.302 2.685 20 0 GFADRO CN1CC[NH+](CCC(C)(C)NC(=O)Nc2nc(C(F)(F)F)cs2)CC1 ZINC000332562323 563604345 /nfs/dbraw/zinc/60/43/45/563604345.db2.gz RINGWRBFENURKW-UHFFFAOYSA-N 1 0 379.452 2.700 20 0 GFADRO Cc1cc(NC(=O)CNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)ccc1Br ZINC000332546274 563604370 /nfs/dbraw/zinc/60/43/70/563604370.db2.gz GKYCMNRHBIFNRT-STQMWFEESA-N 1 0 382.302 2.685 20 0 GFADRO CSc1nnc(CNC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)s1 ZINC000287558916 563607086 /nfs/dbraw/zinc/60/70/86/563607086.db2.gz DXNKFZMJAQIVFI-OCCSQVGLSA-N 1 0 377.539 2.722 20 0 GFADRO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]C[C@@H](O)Cc2cccc(Cl)c2)c1 ZINC000287559360 563607411 /nfs/dbraw/zinc/60/74/11/563607411.db2.gz BCJXBOKDRVFGDF-DYVFJYSZSA-N 1 0 382.913 2.502 20 0 GFADRO COCCCNC(=O)[C@H](C)[N@@H+]1CC[C@H](Cc2ccc(Br)cc2)C1 ZINC000433317155 563609325 /nfs/dbraw/zinc/60/93/25/563609325.db2.gz KLAZSTFUEMYGOY-GOEBONIOSA-N 1 0 383.330 2.855 20 0 GFADRO C[C@H]1CCN(C(=O)Nc2ccc3nccnc3c2Br)[C@@H](C[NH3+])C1 ZINC000332657806 563610158 /nfs/dbraw/zinc/61/01/58/563610158.db2.gz ZSYSXHJIIXGLCM-WDEREUQCSA-N 1 0 378.274 2.983 20 0 GFADRO Cc1cc(Br)cc(C)c1CNC(=O)c1ncn([C@H]2CCC[NH2+]C2)n1 ZINC000433418660 563612283 /nfs/dbraw/zinc/61/22/83/563612283.db2.gz BBUVLQJQUCEWNE-AWEZNQCLSA-N 1 0 392.301 2.512 20 0 GFADRO CN(C)C(=O)CC[NH+]1CCN(Cc2cccc(Br)c2Cl)CC1 ZINC000411355937 563616066 /nfs/dbraw/zinc/61/60/66/563616066.db2.gz ZZLXYWCBNPDOSI-UHFFFAOYSA-N 1 0 388.737 2.698 20 0 GFADRO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cnc2ccc(Br)cc2c1O ZINC000332898108 563616171 /nfs/dbraw/zinc/61/61/71/563616171.db2.gz MULCQMRHFMMJQB-WCQYABFASA-N 1 0 390.281 2.599 20 0 GFADRO C[N@@H+]1CC[C@H]2CCN(C(=O)Nc3ccc4nccnc4c3Br)[C@H]2C1 ZINC000287796647 563618303 /nfs/dbraw/zinc/61/83/03/563618303.db2.gz TUZCFTBEXMOHLX-FZMZJTMJSA-N 1 0 390.285 2.950 20 0 GFADRO CN(C)c1cc(NC(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)ncc1Br ZINC000333096753 563620245 /nfs/dbraw/zinc/62/02/45/563620245.db2.gz AHNNESNMWDEWBP-AWEZNQCLSA-N 1 0 396.333 2.906 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]1C1CCN(C(=O)Nc2ccc(Br)c(F)c2)CC1 ZINC000333116807 563621349 /nfs/dbraw/zinc/62/13/49/563621349.db2.gz HNPCHNXKHGJXFC-CABCVRRESA-N 1 0 386.265 2.948 20 0 GFADRO O=C(CCN1CCOC[C@@H]1[C@H]1CCCO1)Nc1ccccc1Br ZINC000333128457 563621478 /nfs/dbraw/zinc/62/14/78/563621478.db2.gz JGLMKZRGQWMQCP-HZPDHXFCSA-N 1 0 383.286 2.658 20 0 GFADRO C[C@@H](NS(=O)(=O)c1ccc(C[NH+](C)C)cc1)c1ccc([S@](C)=O)cc1 ZINC000433866034 563621858 /nfs/dbraw/zinc/62/18/58/563621858.db2.gz CSIOMYBPQYGQQT-SHACYNPGSA-N 1 0 380.535 2.525 20 0 GFADRO CSC1(CNC(=O)C(=O)Nc2c(Cl)ccc(C)c2C)CC[NH+](C)CC1 ZINC000411543121 563622956 /nfs/dbraw/zinc/62/29/56/563622956.db2.gz JXVHXHPAJOTDCR-UHFFFAOYSA-N 1 0 383.945 2.839 20 0 GFADRO O=C(Nc1cnn(-c2ccccc2Br)c1)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000333180544 563623442 /nfs/dbraw/zinc/62/34/42/563623442.db2.gz RUMBJQBVYDOQMG-STQMWFEESA-N 1 0 390.285 2.708 20 0 GFADRO COc1cc(Br)c(NC(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)cc1OC ZINC000333195753 563623907 /nfs/dbraw/zinc/62/39/07/563623907.db2.gz WDOIVWGQXNVHRI-QWRGUYRKSA-N 1 0 384.274 2.540 20 0 GFADRO O=C(Nc1cc(Br)ccc1N1CCOCC1)N[C@@H]1CCCC[NH2+]C1 ZINC000333195367 563624033 /nfs/dbraw/zinc/62/40/33/563624033.db2.gz WBKVKAIGTLIHJZ-CQSZACIVSA-N 1 0 397.317 2.549 20 0 GFADRO [NH3+][C@@H]1CCO[C@@H](C2CCN(Cc3cnc4ccc(Br)cn34)CC2)C1 ZINC000333201649 563624252 /nfs/dbraw/zinc/62/42/52/563624252.db2.gz XYOHGCIPWPDACA-NVXWUHKLSA-N 1 0 393.329 2.815 20 0 GFADRO Cc1ncc(Br)cc1NC(=O)N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC000333243830 563625312 /nfs/dbraw/zinc/62/53/12/563625312.db2.gz AHJJPXTXMZXVRP-LBPRGKRZSA-N 1 0 397.317 2.870 20 0 GFADRO COc1ccc(Br)c(C(=O)N2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)c1 ZINC000333232547 563625348 /nfs/dbraw/zinc/62/53/48/563625348.db2.gz CHWRZUAXVJWBIU-SUMWQHHRSA-N 1 0 397.313 2.816 20 0 GFADRO [NH3+][C@H]1CCO[C@H](C2CCN(C(=O)c3cc(F)cc(Br)c3)CC2)C1 ZINC000333252744 563625383 /nfs/dbraw/zinc/62/53/83/563625383.db2.gz HDZPXZNBNFJGPY-HOTGVXAUSA-N 1 0 385.277 2.947 20 0 GFADRO O=C(c1ccccc1Br)N1CCC(n2ncc3c2C[NH2+]C3)CC1 ZINC000333238853 563625676 /nfs/dbraw/zinc/62/56/76/563625676.db2.gz ANEWTIZCEHPIQL-UHFFFAOYSA-N 1 0 375.270 2.726 20 0 GFADRO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(C(=O)Cc2cc(F)ccc2Br)CC1 ZINC000333275734 563626737 /nfs/dbraw/zinc/62/67/37/563626737.db2.gz LKFZNLJDSMWTHK-SJLPKXTDSA-N 1 0 399.304 2.876 20 0 GFADRO O=C(NCc1ccc(O)c(Br)c1)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000333290364 563627313 /nfs/dbraw/zinc/62/73/13/563627313.db2.gz HUIZZCZANJZCMD-HNNXBMFYSA-N 1 0 382.302 2.828 20 0 GFADRO O=C(CC[N@@H+](CCO)[C@H]1CCCSC1)Nc1cccc(Br)c1 ZINC000411668381 563628407 /nfs/dbraw/zinc/62/84/07/563628407.db2.gz PGVJDHBQECNZLG-HNNXBMFYSA-N 1 0 387.343 2.968 20 0 GFADRO Cc1cc(NC(=O)C(=O)NCC[C@@H]2CCC[N@@H+](C)C2)ccc1Br ZINC000411681524 563629745 /nfs/dbraw/zinc/62/97/45/563629745.db2.gz ZEARVZINUOCMKS-ZDUSSCGKSA-N 1 0 382.302 2.544 20 0 GFADRO CC(C)c1ncsc1NC(=O)C(=O)N(CC[NH+](C)C)Cc1ccsc1 ZINC000411691208 563630456 /nfs/dbraw/zinc/63/04/56/563630456.db2.gz HIXJKYNQEVJSSU-UHFFFAOYSA-N 1 0 380.539 2.857 20 0 GFADRO C[N@@H+]1CC[C@@H]2OCCN(Cc3c(F)c(F)c(Br)c(F)c3F)[C@H]2C1 ZINC000411708959 563631072 /nfs/dbraw/zinc/63/10/72/563631072.db2.gz KAEHYRYONOZCCT-UWVGGRQHSA-N 1 0 397.210 2.910 20 0 GFADRO Cc1ccc(NC(=O)C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)cc1Br ZINC000434556793 563632153 /nfs/dbraw/zinc/63/21/53/563632153.db2.gz ARHJZYZGBIFMPQ-HNNXBMFYSA-N 1 0 394.313 2.829 20 0 GFADRO CCN(C)C(=O)[C@@H]([NH2+]CCC(=O)Nc1ccc(Br)cc1)C(C)C ZINC000411781025 563634238 /nfs/dbraw/zinc/63/42/38/563634238.db2.gz FUHCFKCBGOXQIB-INIZCTEOSA-N 1 0 384.318 2.870 20 0 GFADRO COCC[C@H](Cc1cccc(Br)c1)C(=O)N[C@@H]1CCC[NH2+][C@H]1C ZINC000434709570 563634994 /nfs/dbraw/zinc/63/49/94/563634994.db2.gz VKDRYYAHQVFOLO-YSVLISHTSA-N 1 0 383.330 2.901 20 0 GFADRO C[C@@H]1CN(CC[N@H+](C)C[C@@H](O)COc2ccc(Cl)cc2Cl)C[C@H](C)O1 ZINC000434699985 563635081 /nfs/dbraw/zinc/63/50/81/563635081.db2.gz PUXCTCLOJDCQQK-IJEWVQPXSA-N 1 0 391.339 2.774 20 0 GFADRO C[C@H]1[NH2+]CCN(C(=O)c2cc(I)ccc2Cl)[C@H]1C ZINC000434704431 563635698 /nfs/dbraw/zinc/63/56/98/563635698.db2.gz FBOIRNKIAOENJY-BDAKNGLRSA-N 1 0 378.641 2.767 20 0 GFADRO C[C@@H]1CN(CC[N@H+](C)CCC(=O)Nc2ccc(Br)cc2)C[C@H](C)O1 ZINC000434693932 563635717 /nfs/dbraw/zinc/63/57/17/563635717.db2.gz IPAVXXQPBXLUCA-GASCZTMLSA-N 1 0 398.345 2.819 20 0 GFADRO C[C@H]1NC(=O)N(CC[N@@H+]2CCC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)C1=O ZINC000333598654 563636755 /nfs/dbraw/zinc/63/67/55/563636755.db2.gz MDPLBFIJWYIWAU-DGCLKSJQSA-N 1 0 386.279 2.777 20 0 GFADRO O=S(=O)(c1csc(-c2ccc(Cl)cc2)n1)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000333637623 563637460 /nfs/dbraw/zinc/63/74/60/563637460.db2.gz HPQGOYFMKRAAPX-GXTWGEPZSA-N 1 0 383.926 2.836 20 0 GFADRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)N[C@@H]3CCc4c3ccc(F)c4Br)C[C@@H]12 ZINC000333646786 563637906 /nfs/dbraw/zinc/63/79/06/563637906.db2.gz VEGKFBZOHQDJTQ-WZZPKWGDSA-N 1 0 382.277 2.954 20 0 GFADRO C[C@@H](NC(=O)N1CCC([C@H]2CC[NH2+]C2)CC1)c1ccc(Br)cn1 ZINC000333647530 563638159 /nfs/dbraw/zinc/63/81/59/563638159.db2.gz VGWCOQPCXCARLY-OCCSQVGLSA-N 1 0 381.318 2.936 20 0 GFADRO C[C@H](NC(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)c1ccc(Br)cn1 ZINC000333664121 563638643 /nfs/dbraw/zinc/63/86/43/563638643.db2.gz XKCLUNIJLRIXJP-MELADBBJSA-N 1 0 381.318 2.936 20 0 GFADRO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(C(=O)NCc2ccc(Br)cc2)CC1 ZINC000333677079 563638728 /nfs/dbraw/zinc/63/87/28/563638728.db2.gz ZCJWSZUQEHDIJU-IAGOWNOFSA-N 1 0 396.329 2.877 20 0 GFADRO [NH3+][C@H]1CCO[C@H](C2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)C1 ZINC000333697941 563639801 /nfs/dbraw/zinc/63/98/01/563639801.db2.gz QKJKAWALSHLJMQ-ZFWWWQNUSA-N 1 0 393.336 2.900 20 0 GFADRO [NH3+][C@H]1CCCO[C@@H]1C1CCN(S(=O)(=O)c2c(Cl)ccc(F)c2F)CC1 ZINC000333754563 563641380 /nfs/dbraw/zinc/64/13/80/563641380.db2.gz ZNINODCXCJVKCW-DZGCQCFKSA-N 1 0 394.871 2.525 20 0 GFADRO C[C@H](CN1CCOCC1)[N@H+](C)Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000435050353 563642479 /nfs/dbraw/zinc/64/24/79/563642479.db2.gz SDKYTUVONOYARC-OAHLLOKOSA-N 1 0 393.329 2.787 20 0 GFADRO C[C@H](CN1CCOCC1)[N@H+](C)Cc1cc(Br)c2c(c1)OCCCO2 ZINC000435053207 563642559 /nfs/dbraw/zinc/64/25/59/563642559.db2.gz NOZIWPMJBDYSPM-CQSZACIVSA-N 1 0 399.329 2.763 20 0 GFADRO C[C@H]1C[C@H](N(C)C(=O)C(C)(C)S(=O)(=O)c2ccc(Cl)cc2)CC[N@@H+]1C ZINC000288443705 563643573 /nfs/dbraw/zinc/64/35/73/563643573.db2.gz MFLKVRNKQRTYKJ-DZGCQCFKSA-N 1 0 386.945 2.833 20 0 GFADRO COc1ccc(Br)c(C(=O)N2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)c1 ZINC000333867219 563643877 /nfs/dbraw/zinc/64/38/77/563643877.db2.gz TZIYLWNVVVUSPU-IAGOWNOFSA-N 1 0 397.313 2.816 20 0 GFADRO CC(C)(CN1CCOCC1)[NH2+]CC[S@@](=O)c1cc(Cl)ccc1Cl ZINC000412005810 563644284 /nfs/dbraw/zinc/64/42/84/563644284.db2.gz VEAASSYDYMZKOC-HSZRJFAPSA-N 1 0 379.353 2.801 20 0 GFADRO COc1ccc([C@H](C)NC(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1Br ZINC000333926282 563645917 /nfs/dbraw/zinc/64/59/17/563645917.db2.gz VIFHBHZCCPSAOW-WHOFXGATSA-N 1 0 382.302 2.912 20 0 GFADRO C[C@H]1C[C@H](NC(=O)C2C[NH+](C3CCCCC3)C2)c2ccsc2S1(=O)=O ZINC000333958389 563647156 /nfs/dbraw/zinc/64/71/56/563647156.db2.gz IZFSNDNLLBRIID-LRDDRELGSA-N 1 0 382.551 2.736 20 0 GFADRO [NH3+]C[C@@H]1CN(Cc2cc(Br)ccc2OCc2ccccn2)CCO1 ZINC000435388976 563649018 /nfs/dbraw/zinc/64/90/18/563649018.db2.gz IOFAODWTTBMQRI-QGZVFWFLSA-N 1 0 392.297 2.583 20 0 GFADRO CC[NH+](CC)[C@@H](C)CNC(=O)[C@H]1CC(=O)Nc2ccc(Br)cc21 ZINC000435456223 563652391 /nfs/dbraw/zinc/65/23/91/563652391.db2.gz FONDBDOWSPDKTI-FZMZJTMJSA-N 1 0 382.302 2.721 20 0 GFADRO O=C(NC[C@@H](CO)c1ccccc1Cl)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000412337460 563654206 /nfs/dbraw/zinc/65/42/06/563654206.db2.gz LHAXWATZAITTSA-JKSUJKDBSA-N 1 0 382.957 2.750 20 0 GFADRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)Nc1cc(Br)c(=O)n(C)c1 ZINC000435589664 563654316 /nfs/dbraw/zinc/65/43/16/563654316.db2.gz ROIOINBAOJIVQC-VXGBXAGGSA-N 1 0 385.306 2.532 20 0 GFADRO CCC[C@H]([NH2+]C(C)C)C(=O)Nc1cc(N2CCOCC2)c(Br)cn1 ZINC000412413638 563656245 /nfs/dbraw/zinc/65/62/45/563656245.db2.gz TUUYRMYJJWDZBG-AWEZNQCLSA-N 1 0 399.333 2.786 20 0 GFADRO CNc1cc(I)ccc1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000412398412 563656420 /nfs/dbraw/zinc/65/64/20/563656420.db2.gz KQHIMEURRBEHCR-YHWZYXNKSA-N 1 0 399.276 2.688 20 0 GFADRO CCS(=O)(=O)c1cc(Cl)cc(CNC(=O)C2CC[NH+](C(C)C)CC2)c1 ZINC000412488113 563659279 /nfs/dbraw/zinc/65/92/79/563659279.db2.gz KTYCMDHFHVOWMW-UHFFFAOYSA-N 1 0 386.945 2.870 20 0 GFADRO COC(=O)CC[C@H]([NH3+])C(=O)Nc1ncc(Cc2ccc(C)c(Cl)c2)s1 ZINC000288860974 563659928 /nfs/dbraw/zinc/65/99/28/563659928.db2.gz XTTCUUIPMNKBBB-AWEZNQCLSA-N 1 0 381.885 2.915 20 0 GFADRO CN1C[C@@H](C[NH2+][C@H](C(N)=O)c2ccc(Br)cc2)Cc2ccccc21 ZINC000435994664 563662149 /nfs/dbraw/zinc/66/21/49/563662149.db2.gz OYIMGZPLKRXZJV-ACJLOTCBSA-N 1 0 388.309 2.874 20 0 GFADRO Cc1[nH+]cc2n1CC[C@H](c1nc(Cc3cc(Br)c[nH]c3=O)no1)C2 ZINC000350407480 563671632 /nfs/dbraw/zinc/67/16/32/563671632.db2.gz OHSRGHDGOJQDKU-JTQLQIEISA-N 1 0 390.241 2.758 20 0 GFADRO C[C@]1(C[C@H]2CCC[N@@H+]2Cc2cc(Br)ccc2F)NC(=O)NC1=O ZINC000289207658 563671757 /nfs/dbraw/zinc/67/17/57/563671757.db2.gz BUQDHZXPDXWCOH-MLGOLLRUSA-N 1 0 384.249 2.541 20 0 GFADRO Brc1c(CN2CCN(Cc3ccccn3)CC2)nc2ccccn21 ZINC000289220865 563672341 /nfs/dbraw/zinc/67/23/41/563672341.db2.gz XOEYSTXBSGQBJU-UHFFFAOYSA-N 1 0 386.297 2.810 20 0 GFADRO COC(=O)c1cc(C[N@@H+]2CCC[C@@H](CNC(=O)C(F)(F)F)C2)c(C)s1 ZINC000289396058 563673708 /nfs/dbraw/zinc/67/37/08/563673708.db2.gz FCCBSIAZEKJINB-NSHDSACASA-N 1 0 378.416 2.734 20 0 GFADRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)c2ccc(Br)cc2O)C1 ZINC000436575826 563674337 /nfs/dbraw/zinc/67/43/37/563674337.db2.gz NSQRVIMPODZJAN-CQSZACIVSA-N 1 0 385.302 2.728 20 0 GFADRO C[N@@H+]1CCC[C@H]1C(=O)NC1CCN(Cc2cccc(Br)c2)CC1 ZINC000412974023 563678249 /nfs/dbraw/zinc/67/82/49/563678249.db2.gz RQAIMGYIHNOZEE-KRWDZBQOSA-N 1 0 380.330 2.624 20 0 GFADRO C[NH+](C)C1CCN(C(=O)Cc2noc(-c3ccc(Br)cc3)n2)CC1 ZINC000350915688 563678670 /nfs/dbraw/zinc/67/86/70/563678670.db2.gz NKZRDCKWTIYJRR-UHFFFAOYSA-N 1 0 393.285 2.594 20 0 GFADRO C[NH+](C)C1CCN(C(=O)Cc2noc(-c3csc(Br)c3)n2)CC1 ZINC000350935271 563679194 /nfs/dbraw/zinc/67/91/94/563679194.db2.gz WPLYAPLDNPAYDI-UHFFFAOYSA-N 1 0 399.314 2.656 20 0 GFADRO C[C@H](O)c1ncc(C[NH2+]C[C@H](CO)Cc2ccccc2Br)s1 ZINC000289568349 563679336 /nfs/dbraw/zinc/67/93/36/563679336.db2.gz HEVWBQVWGVKZLE-NWDGAFQWSA-N 1 0 385.327 2.900 20 0 GFADRO CC[N@@H+]1CCCN(c2nnc(-c3ccc(F)cc3Br)n2C)CC1 ZINC000289571029 563679628 /nfs/dbraw/zinc/67/96/28/563679628.db2.gz UFIWNZGRKMUCKY-UHFFFAOYSA-N 1 0 382.281 2.916 20 0 GFADRO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N(C)CC(=O)Nc1ccc(Br)cc1C ZINC000289710141 563684426 /nfs/dbraw/zinc/68/44/26/563684426.db2.gz UHPSMNZPUZRFKQ-KBPBESRZSA-N 1 0 382.302 2.543 20 0 GFADRO COc1cc(Br)c(C[NH2+][C@@H]2CCC(=O)N[C@H]2C(C)(C)C)cc1O ZINC000289791409 563686491 /nfs/dbraw/zinc/68/64/91/563686491.db2.gz LXPZUMHNNVSGBN-MLGOLLRUSA-N 1 0 385.302 2.946 20 0 GFADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)NCc1cc(C)ccc1Br ZINC000413256776 563686925 /nfs/dbraw/zinc/68/69/25/563686925.db2.gz BWJIWKNSGRNFRZ-HNNXBMFYSA-N 1 0 384.318 2.668 20 0 GFADRO CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1C[C@@H](O)c1cccc(Br)c1 ZINC000359898168 563690688 /nfs/dbraw/zinc/69/06/88/563690688.db2.gz MEDRFGOMEMWCJC-KZNAEPCWSA-N 1 0 381.314 2.958 20 0 GFADRO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000289981506 563693841 /nfs/dbraw/zinc/69/38/41/563693841.db2.gz OAXIHXBJYCLCTC-COXVUDFISA-N 1 0 380.330 2.780 20 0 GFADRO COc1ccc(Br)cc1CN1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000360694223 563694327 /nfs/dbraw/zinc/69/43/27/563694327.db2.gz VLVVFXNHHKMCRB-YJBOKZPZSA-N 1 0 396.373 2.916 20 0 GFADRO Cc1noc(C)c1[C@@H](C)C[NH2+]C1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000360809903 563695061 /nfs/dbraw/zinc/69/50/61/563695061.db2.gz KCJJOJBCJBVBQU-LBPRGKRZSA-N 1 0 383.539 2.899 20 0 GFADRO COc1ccc([C@@H]([NH2+]C[C@@H]2CN(C)CCN2C)C(C)C)c(Br)c1 ZINC000290019412 563695233 /nfs/dbraw/zinc/69/52/33/563695233.db2.gz ZWVNFPDSULOCDN-KDOFPFPSSA-N 1 0 384.362 2.990 20 0 GFADRO C[C@H]1CN(c2cc(Br)cnc2C(N)=O)CC[N@@H+]1Cc1ccccc1 ZINC000413530849 563695989 /nfs/dbraw/zinc/69/59/89/563695989.db2.gz KQZNHTYJIKOUHJ-ZDUSSCGKSA-N 1 0 389.297 2.654 20 0 GFADRO Cn1c2ccc(C(F)(F)F)cc2nc1C[NH2+]C[C@H]1CCCS(=O)(=O)C1 ZINC000290101858 563697872 /nfs/dbraw/zinc/69/78/72/563697872.db2.gz KHPKRUBZOXWONV-LLVKDONJSA-N 1 0 375.416 2.507 20 0 GFADRO O=C(C[C@H]1CCC[NH2+]1)N1CCC[C@H]1C(=O)Nc1ccc(Br)cc1 ZINC000361969314 563702138 /nfs/dbraw/zinc/70/21/38/563702138.db2.gz XRRFLBHDWYHULQ-CABCVRRESA-N 1 0 380.286 2.521 20 0 GFADRO CN1CCC([NH+]2CCC(CCNC(=O)C[C@@H]3CSCCS3)CC2)CC1 ZINC000361901872 563702155 /nfs/dbraw/zinc/70/21/55/563702155.db2.gz WPBZDLUMHJZSRL-GOSISDBHSA-N 1 0 385.643 2.538 20 0 GFADRO Cc1c(C(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)cnn1-c1cccc(Br)c1 ZINC000290267160 563703072 /nfs/dbraw/zinc/70/30/72/563703072.db2.gz YCJJTJKEYLJGTK-KBPBESRZSA-N 1 0 389.297 2.625 20 0 GFADRO CC[C@H](C(=O)N[C@H](CO)c1ccc(Br)cc1C(F)(F)F)[NH+](C)C ZINC000413767427 563705853 /nfs/dbraw/zinc/70/58/53/563705853.db2.gz NFTTWAVLFQBXRO-CHWSQXEVSA-N 1 0 397.235 2.958 20 0 GFADRO COCCN(C[C@@H](C)c1cccc(Br)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000290358251 563706232 /nfs/dbraw/zinc/70/62/32/563706232.db2.gz GQLFSRIKSSMKCY-CZUORRHYSA-N 1 0 390.343 2.688 20 0 GFADRO O=C(c1cc2cc(Br)ccc2[nH]1)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000362442721 563707015 /nfs/dbraw/zinc/70/70/15/563707015.db2.gz RIEWOSYYQGDBFK-DLBZAZTESA-N 1 0 392.297 2.602 20 0 GFADRO O=C(Nc1cnc2c(c1)C[NH2+]CC2)c1c(F)cccc1I ZINC000362487002 563707688 /nfs/dbraw/zinc/70/76/88/563707688.db2.gz OTBOSYVWWHQUHN-UHFFFAOYSA-N 1 0 397.191 2.723 20 0 GFADRO CC1CC[NH+](C[C@H](O)CNC(=O)Nc2ccc(Br)c(F)c2)CC1 ZINC000438622602 563708240 /nfs/dbraw/zinc/70/82/40/563708240.db2.gz BJGUMDJWWNRALS-CYBMUJFWSA-N 1 0 388.281 2.803 20 0 GFADRO CCN(C[C@H]1CCN(C(=O)[C@@]2([NH+](C)C)CCCSC2)C1)CC(F)(F)F ZINC000362709025 563708396 /nfs/dbraw/zinc/70/83/96/563708396.db2.gz YFEPVSIAWMCQNF-GDBMZVCRSA-N 1 0 381.508 2.547 20 0 GFADRO C[C@@H](C[C@H](O)c1ccco1)[NH2+]C1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000362690752 563708628 /nfs/dbraw/zinc/70/86/28/563708628.db2.gz VTWNWCBIOVSKNV-ZFWWWQNUSA-N 1 0 384.523 2.596 20 0 GFADRO Cn1cc(C[C@H]2CC[N@H+](Cc3nnc(-c4ccc(Br)o4)o3)C2)cn1 ZINC000362881606 563710184 /nfs/dbraw/zinc/71/01/84/563710184.db2.gz YVXWDLSAVXLPRI-LLVKDONJSA-N 1 0 392.257 2.890 20 0 GFADRO COC(=O)[C@H]1CN(C(=O)[C@H]2C[C@@H]2c2cccc(Cl)c2Cl)CC[N@H+](C)C1 ZINC000413915263 563710655 /nfs/dbraw/zinc/71/06/55/563710655.db2.gz HLGLRPPYBVVXQL-BNOWGMLFSA-N 1 0 385.291 2.660 20 0 GFADRO C[NH+](C)CC1CCN(C(=O)C[C@@H]2Sc3ccc(Cl)cc3NC2=O)CC1 ZINC000363064496 563713327 /nfs/dbraw/zinc/71/33/27/563713327.db2.gz CAQSYVOLLDWWCH-INIZCTEOSA-N 1 0 381.929 2.943 20 0 GFADRO CNC(=O)[C@H](C)C[N@H+](C)CC(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000363124732 563715108 /nfs/dbraw/zinc/71/51/08/563715108.db2.gz ZTHYBNZKDGLVBD-WBMJQRKESA-N 1 0 386.323 2.971 20 0 GFADRO CC(C)Cn1cnc(S(=O)(=O)NC[C@H]2CC[N@H+](C)[C@@H]2c2cccs2)c1 ZINC000363157443 563715902 /nfs/dbraw/zinc/71/59/02/563715902.db2.gz HLUOSCLYYNYGLH-PBHICJAKSA-N 1 0 382.555 2.572 20 0 GFADRO C[C@H](Cn1cc(Br)ccc1=O)N[C@@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000414069997 563717968 /nfs/dbraw/zinc/71/79/68/563717968.db2.gz KTTVRILAIOVQPD-XUWVNRHRSA-N 1 0 384.362 2.955 20 0 GFADRO COc1ccc(C[C@H](C)[NH2+]C[C@@H](O)COc2ccccc2Br)cn1 ZINC000414089871 563718809 /nfs/dbraw/zinc/71/88/09/563718809.db2.gz KGVDWRKOUQSHIQ-DZGCQCFKSA-N 1 0 395.297 2.813 20 0 GFADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@@H]1Cc2ccccc2N(C)C1 ZINC000414138629 563720180 /nfs/dbraw/zinc/72/01/80/563720180.db2.gz PWFUWEIGMYJIBC-CABCVRRESA-N 1 0 390.325 2.898 20 0 GFADRO CCN(CC[NH2+][C@H](C)Cn1cc(Br)ccc1=O)CCC(F)(F)F ZINC000414134797 563720313 /nfs/dbraw/zinc/72/03/13/563720313.db2.gz NWHRMWFQJWJWMG-GFCCVEGCSA-N 1 0 398.267 2.863 20 0 GFADRO CN(C)S(=O)(=O)CCC[NH+]1CCC(c2ccccc2Br)CC1 ZINC000439264123 563721661 /nfs/dbraw/zinc/72/16/61/563721661.db2.gz VAGJNQOAKBAKRL-UHFFFAOYSA-N 1 0 389.359 2.910 20 0 GFADRO C[C@H](Cc1cnccn1)[NH2+]C[C@@H](CO)Cc1cc(F)cc(Br)c1 ZINC000414172346 563721693 /nfs/dbraw/zinc/72/16/93/563721693.db2.gz DXJUFQACKBOYGP-OCCSQVGLSA-N 1 0 382.277 2.750 20 0 GFADRO COC1CCC([NH2+][C@@H](C)c2ccc(Br)c(S(N)(=O)=O)c2)CC1 ZINC000414187463 563721894 /nfs/dbraw/zinc/72/18/94/563721894.db2.gz QQCPPOAXMGYVNA-PKSQDBQZSA-N 1 0 391.331 2.705 20 0 GFADRO COC[C@H]1CCC[N@H+](C[C@@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000439436174 563724932 /nfs/dbraw/zinc/72/49/32/563724932.db2.gz HRGAKYINNMAYPP-SWLSCSKDSA-N 1 0 376.266 2.686 20 0 GFADRO CC[C@H]([NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1)[C@@H]1CCCO1 ZINC000439454379 563725554 /nfs/dbraw/zinc/72/55/54/563725554.db2.gz NGTUIJNAHHSXSQ-KBMXLJTQSA-N 1 0 376.266 2.875 20 0 GFADRO Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000290907677 563725652 /nfs/dbraw/zinc/72/56/52/563725652.db2.gz SFOPFPVMQMIQIT-YOGCLGLASA-N 1 0 378.826 2.995 20 0 GFADRO CN(CC1CC1)S(=O)(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccc(Cl)c1 ZINC000363552926 563726099 /nfs/dbraw/zinc/72/60/99/563726099.db2.gz JMWUMPFQXSBTRM-SJLPKXTDSA-N 1 0 385.961 2.899 20 0 GFADRO CC[N@@H+]1C[C@H](C)N(C[C@H](O)COc2cc(F)cc(Br)c2)C[C@H]1C ZINC000439461836 563726215 /nfs/dbraw/zinc/72/62/15/563726215.db2.gz MMEJPLBLDJFVSZ-WWGRRREGSA-N 1 0 389.309 2.742 20 0 GFADRO COc1ccc(Br)cc1CNC(=O)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000363555513 563726274 /nfs/dbraw/zinc/72/62/74/563726274.db2.gz RGOAVPCPPPVLBS-OAHLLOKOSA-N 1 0 382.302 2.837 20 0 GFADRO CC(C)[N@H+](C)C[C@@H](C)NC(=O)c1cc(F)ccc1I ZINC000290918515 563726351 /nfs/dbraw/zinc/72/63/51/563726351.db2.gz KATQRQAIDMYLHL-SNVBAGLBSA-N 1 0 378.229 2.889 20 0 GFADRO C[C@@H](CC[S@](C)=O)[NH2+]Cc1c(Br)cncc1Br ZINC000290952465 563727248 /nfs/dbraw/zinc/72/72/48/563727248.db2.gz VIVQUQVNCJALMI-QPFGOUBPSA-N 1 0 384.137 2.853 20 0 GFADRO COc1c(Cl)cc(NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC3)C2)cc1Cl ZINC000439596184 563728866 /nfs/dbraw/zinc/72/88/66/563728866.db2.gz OIRCZQPESQSFKB-LBPRGKRZSA-N 1 0 386.279 2.636 20 0 GFADRO CS(=O)(=O)CCCCC[NH2+]Cc1c(F)ccc(C2OCCO2)c1Cl ZINC000291042040 563730786 /nfs/dbraw/zinc/73/07/86/563730786.db2.gz AZPCDJCANCRTHA-UHFFFAOYSA-N 1 0 379.881 2.829 20 0 GFADRO C[C@H](CC(=O)N1CCN([C@@H]2CCOC2)CC1)c1ccc(Br)cc1 ZINC000363711322 563731139 /nfs/dbraw/zinc/73/11/39/563731139.db2.gz PYRKRZJJVBZSGR-RHSMWYFYSA-N 1 0 381.314 2.876 20 0 GFADRO O=S(=O)(c1cccs1)N1CCC([NH2+]CCCOc2ccccc2)CC1 ZINC000363792769 563733342 /nfs/dbraw/zinc/73/33/42/563733342.db2.gz NYSYWTZZTYSHBF-UHFFFAOYSA-N 1 0 380.535 2.960 20 0 GFADRO Cc1nccc(CN2CCC[C@H]([NH2+]Cc3ccc(Br)cc3)C2=O)n1 ZINC000363964512 563738277 /nfs/dbraw/zinc/73/82/77/563738277.db2.gz LEEYZLBLNXRHNH-KRWDZBQOSA-N 1 0 389.297 2.828 20 0 GFADRO COc1ccc(S(=O)(=O)N[C@@H]2C[N@H+](C)C[C@@H]2c2ccccc2)cc1Cl ZINC000414458405 563740014 /nfs/dbraw/zinc/74/00/14/563740014.db2.gz HJLMQDDENQTYTH-NVXWUHKLSA-N 1 0 380.897 2.725 20 0 GFADRO O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cc(Br)c2c(c1)OCCO2 ZINC000364044710 563740588 /nfs/dbraw/zinc/74/05/88/563740588.db2.gz YRTCTBFSGCKWKZ-QWHCGFSZSA-N 1 0 381.270 2.577 20 0 GFADRO Cc1cc(Br)cc(C)c1S(=O)(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000440413452 563741321 /nfs/dbraw/zinc/74/13/21/563741321.db2.gz UKOLFTLDKHGQML-CYBMUJFWSA-N 1 0 375.332 2.734 20 0 GFADRO C[C@@H]1CCCN(S(=O)(=O)c2cc(Br)ccc2Cl)[C@H]1C[NH3+] ZINC000440446612 563742208 /nfs/dbraw/zinc/74/22/08/563742208.db2.gz RRNXUAIZZVWCAA-SKDRFNHKSA-N 1 0 381.723 2.850 20 0 GFADRO O=C(c1cc(Br)c2c(c1)OCCO2)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000364066560 563742355 /nfs/dbraw/zinc/74/23/55/563742355.db2.gz DRFWAQOUZHCZQG-CYBMUJFWSA-N 1 0 381.270 2.531 20 0 GFADRO O=C(C[NH2+][C@@]1(CO)CCCc2ccccc21)Nc1ccc(Br)cn1 ZINC000440474059 563743037 /nfs/dbraw/zinc/74/30/37/563743037.db2.gz PVFMNQBUNODXIZ-GOSISDBHSA-N 1 0 390.281 2.596 20 0 GFADRO COC[C@@](C)(CC(=O)OC)[NH2+]CC[S@](=O)c1cc(Cl)ccc1Cl ZINC000440549390 563744693 /nfs/dbraw/zinc/74/46/93/563744693.db2.gz HCLHMLCOEOBEBV-CMJOXMDJSA-N 1 0 382.309 2.659 20 0 GFADRO COC[C@@](C)(CC(=O)OC)[NH2+]CC(=O)N(C)Cc1cc(Cl)cc(Cl)c1 ZINC000440550008 563744941 /nfs/dbraw/zinc/74/49/41/563744941.db2.gz JCGCDQAWZRIARV-QGZVFWFLSA-N 1 0 391.295 2.510 20 0 GFADRO CN(C)C(=O)[C@@H]1CC[N@H+](Cc2cnn(-c3ccc(Br)cc3)c2)C1 ZINC000414500424 563745061 /nfs/dbraw/zinc/74/50/61/563745061.db2.gz QBAAYHGMTFTAAP-CQSZACIVSA-N 1 0 377.286 2.545 20 0 GFADRO COCCO[C@H]1CCN(C(=O)C2CC[NH+](Cc3ccc(Cl)s3)CC2)C1 ZINC000364253050 563747514 /nfs/dbraw/zinc/74/75/14/563747514.db2.gz CLDOKCGORUJNCL-HNNXBMFYSA-N 1 0 386.945 2.877 20 0 GFADRO COc1cc(C(=O)N2CC[C@@]3(CCC[C@@H]3[NH3+])C2)cc(OC)c1Br ZINC000364255258 563747656 /nfs/dbraw/zinc/74/76/56/563747656.db2.gz IXPUUFSTTKPCEG-YOEHRIQHSA-N 1 0 383.286 2.810 20 0 GFADRO CCOC(=O)C1(NC(=O)c2csc(Br)c2C)CC[NH+](C)CC1 ZINC000364287568 563748343 /nfs/dbraw/zinc/74/83/43/563748343.db2.gz FDBFMFFVEAFSOW-UHFFFAOYSA-N 1 0 389.315 2.576 20 0 GFADRO O=S(=O)(NCC[C@@H]1CCC[NH2+]C1)c1cc(Cl)ccc1Br ZINC000440743789 563749765 /nfs/dbraw/zinc/74/97/65/563749765.db2.gz BKBYDJCVYFUTJD-JTQLQIEISA-N 1 0 381.723 2.771 20 0 GFADRO O=C(Nc1ccc(I)cc1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000414684835 563750003 /nfs/dbraw/zinc/75/00/03/563750003.db2.gz WZCCKPUXZLAUQS-HNNXBMFYSA-N 1 0 385.249 2.899 20 0 GFADRO [NH3+]C[C@@H](NC(=O)Nc1nnc(SCc2ccccc2)s1)C1CCCC1 ZINC000414695304 563750050 /nfs/dbraw/zinc/75/00/50/563750050.db2.gz ABZWPHQBNVMUGY-CQSZACIVSA-N 1 0 377.539 3.469 20 0 GFADRO O=C(NCCC[C@H]1CCC[NH2+]1)Nc1nnc(SCc2ccccc2)s1 ZINC000414716495 563750992 /nfs/dbraw/zinc/75/09/92/563750992.db2.gz YCMDXFVGAGJHIE-CQSZACIVSA-N 1 0 377.539 3.484 20 0 GFADRO C[C@H]1CCN(C(=O)Nc2nnc(SCc3ccccc3)s2)[C@H](C[NH3+])C1 ZINC000414716534 563751128 /nfs/dbraw/zinc/75/11/28/563751128.db2.gz YJPOALVATSRGDP-JSGCOSHPSA-N 1 0 377.539 3.422 20 0 GFADRO C[C@@H]1CCCN(C(=O)Nc2nnc(SCc3ccccc3)s2)[C@H]1C[NH3+] ZINC000414714881 563751157 /nfs/dbraw/zinc/75/11/57/563751157.db2.gz WBMZNJRZZMZKCR-OCCSQVGLSA-N 1 0 377.539 3.422 20 0 GFADRO C[C@@H]1CN(S(=O)(=O)c2ccc(Br)c(Cl)c2Cl)C[C@@H]1[NH3+] ZINC000440846350 563751749 /nfs/dbraw/zinc/75/17/49/563751749.db2.gz LYJHAZYHGCRJPT-SVRRBLITSA-N 1 0 388.114 2.724 20 0 GFADRO O=S(=O)(c1csc(-c2ccccc2)n1)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000440847798 563751887 /nfs/dbraw/zinc/75/18/87/563751887.db2.gz WPFVZYQARGJQIF-MRXNPFEDSA-N 1 0 377.535 2.963 20 0 GFADRO COc1ccc([C@@H]2CC[NH2+]C[C@H]2NS(=O)(=O)c2ccccc2Cl)cc1 ZINC000440861233 563752524 /nfs/dbraw/zinc/75/25/24/563752524.db2.gz HDLVKPMZXDNIBT-DOTOQJQBSA-N 1 0 380.897 2.773 20 0 GFADRO COc1ccc([C@H]2CC[NH2+]C[C@@H]2NS(=O)(=O)c2cc(C)sc2C)cc1 ZINC000440850450 563752612 /nfs/dbraw/zinc/75/26/12/563752612.db2.gz CPDIXQVCSFNCSQ-SJORKVTESA-N 1 0 380.535 2.798 20 0 GFADRO Cc1ccc(NC(=O)N2C[C@H](C[NH3+])C3(C2)CCOCC3)cc1Br ZINC000414795782 563752700 /nfs/dbraw/zinc/75/27/00/563752700.db2.gz WYDBOISSVPJNOB-ZDUSSCGKSA-N 1 0 382.302 2.977 20 0 GFADRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)c2nc(C3CC3)ncc2Br)C1 ZINC000291693143 563754230 /nfs/dbraw/zinc/75/42/30/563754230.db2.gz FTTBZTZKXSVTIH-LBPRGKRZSA-N 1 0 381.318 2.967 20 0 GFADRO CCOc1c(Br)cc(CN2CC[C@@H](n3cncn3)C2)cc1OC ZINC000364511946 563755371 /nfs/dbraw/zinc/75/53/71/563755371.db2.gz RFMXJACDNNBIDA-CYBMUJFWSA-N 1 0 381.274 2.895 20 0 GFADRO COC[C@]1(CNCc2cc(Br)ccc2OC(F)F)CCC[NH2+]1 ZINC000414945908 563755576 /nfs/dbraw/zinc/75/55/76/563755576.db2.gz RKLQEWHVUKTNMW-OAHLLOKOSA-N 1 0 379.245 2.909 20 0 GFADRO COc1cc(Br)c(NC(=O)N2CC[C@@H](C)[C@@H](C[NH3+])C2)cc1OC ZINC000414987770 563756358 /nfs/dbraw/zinc/75/63/58/563756358.db2.gz DYPMPKNEMOSABG-MNOVXSKESA-N 1 0 386.290 2.915 20 0 GFADRO C[C@@H](C[NH3+])NC(=O)Nc1cc(Br)ccc1I ZINC000415031673 563757332 /nfs/dbraw/zinc/75/73/32/563757332.db2.gz GSOXVNVEOYRNME-LURJTMIESA-N 1 0 398.042 2.522 20 0 GFADRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2nc(C3CC3)ncc2Br)C1 ZINC000291757080 563757369 /nfs/dbraw/zinc/75/73/69/563757369.db2.gz MFXMZXBIHHBZSS-OCCSQVGLSA-N 1 0 379.302 2.673 20 0 GFADRO CCOc1c(Br)cc(C(=O)N2[C@@H]3CC[C@H]2C[C@@H]([NH3+])C3)cc1OC ZINC000364562798 563757527 /nfs/dbraw/zinc/75/75/27/563757527.db2.gz RCIUNBLUAMKHEO-CLLJXQQHSA-N 1 0 383.286 2.951 20 0 GFADRO CO[C@@H]1CC[N@H+](CC(=O)N(C)Cc2cc(Br)cs2)[C@@H](C)C1 ZINC000441345744 563757966 /nfs/dbraw/zinc/75/79/66/563757966.db2.gz LSZAJCYQJVWSEF-WCQYABFASA-N 1 0 375.332 2.968 20 0 GFADRO C[C@H]1C[C@@H](N(C)S(=O)(=O)CCc2ccccc2Br)CC[N@@H+]1C ZINC000291781166 563758072 /nfs/dbraw/zinc/75/80/72/563758072.db2.gz WVFPKLILEDUGFP-ZFWWWQNUSA-N 1 0 389.359 2.736 20 0 GFADRO C[NH2+]CCCNC(=O)Nc1ccc(=O)n(Cc2ccc(Cl)c(Cl)c2)c1 ZINC000415058612 563758021 /nfs/dbraw/zinc/75/80/21/563758021.db2.gz UEPPKIMDHOBAJW-UHFFFAOYSA-N 1 0 383.279 2.934 20 0 GFADRO COc1ccc(I)c(NC(=O)N[C@@H]2CC[NH2+][C@@H](C)C2)c1 ZINC000415075637 563758539 /nfs/dbraw/zinc/75/85/39/563758539.db2.gz QZYFXWAIRMLSOS-VHSXEESVSA-N 1 0 389.237 2.562 20 0 GFADRO C[N@@H+]1CC[C@@H](CNS(=O)(=O)c2ccc(Cl)cc2F)[C@@H]1c1cccnc1 ZINC000364578385 563758801 /nfs/dbraw/zinc/75/88/01/563758801.db2.gz XAUOLUGVBKPAAK-GUYCJALGSA-N 1 0 383.876 2.845 20 0 GFADRO O=C1N[C@@H]2CN(Cc3ccc(Cl)cc3Cl)CC[C@H]2N1C1CC[NH2+]CC1 ZINC000415134373 563760058 /nfs/dbraw/zinc/76/00/58/563760058.db2.gz DQNGCDZPDGRIEC-IAGOWNOFSA-N 1 0 383.323 2.714 20 0 GFADRO O=C(Cc1ccc(Br)cc1)N1CCC[N@@H+](C2CCOCC2)CC1 ZINC000364633007 563760345 /nfs/dbraw/zinc/76/03/45/563760345.db2.gz JEQSCRWUDMSBNX-UHFFFAOYSA-N 1 0 381.314 2.705 20 0 GFADRO C[C@H](CC[NH3+])NC(=O)Nc1ccc(CCn2cc(Br)cn2)cc1 ZINC000415214575 563762405 /nfs/dbraw/zinc/76/24/05/563762405.db2.gz QTJRJDZMBYMXRL-GFCCVEGCSA-N 1 0 380.290 2.747 20 0 GFADRO C[C@@H](CC[NH3+])NC(=O)Nc1ccc(CCn2cc(Br)cn2)cc1 ZINC000415214578 563762522 /nfs/dbraw/zinc/76/25/22/563762522.db2.gz QTJRJDZMBYMXRL-LBPRGKRZSA-N 1 0 380.290 2.747 20 0 GFADRO CO[C@@H]1CCN(C(=O)Nc2c(F)cc(Br)cc2F)[C@@H](C[NH3+])C1 ZINC000415210869 563762598 /nfs/dbraw/zinc/76/25/98/563762598.db2.gz KPOYYPGFYYZYMQ-NXEZZACHSA-N 1 0 378.217 2.697 20 0 GFADRO Cc1cc(Br)ccc1CNC(=O)[C@]1([NH3+])[C@H]2CCCO[C@@H]2C1(C)C ZINC000364729798 563762641 /nfs/dbraw/zinc/76/26/41/563762641.db2.gz IFJMNJKOHPAZGO-RLFYNMQTSA-N 1 0 381.314 2.906 20 0 GFADRO C[N@@H+]1CCCC12CCN([C@H](C(N)=O)c1ccc(Br)cc1F)CC2 ZINC000364721326 563762667 /nfs/dbraw/zinc/76/26/67/563762667.db2.gz JXYGRVASZNRKHL-HNNXBMFYSA-N 1 0 384.293 2.675 20 0 GFADRO Cc1cc(COc2ccc(C(=O)NC[C@@H](C)C[NH3+])cc2Br)no1 ZINC000441611654 563762832 /nfs/dbraw/zinc/76/28/32/563762832.db2.gz OOPKAWHRXIFKPA-JTQLQIEISA-N 1 0 382.258 2.649 20 0 GFADRO CC[NH2+][C@H](C)CNC(=O)Nc1cc(F)c(F)cc1I ZINC000415239644 563762846 /nfs/dbraw/zinc/76/28/46/563762846.db2.gz OPUSPJJYNKTKSK-SSDOTTSWSA-N 1 0 383.180 2.689 20 0 GFADRO Cc1cc(NC(=O)C(=O)N2CCCC23CC[NH+](C)CC3)ccc1Br ZINC000364766777 563763269 /nfs/dbraw/zinc/76/32/69/563763269.db2.gz CLFWKQCARNWPES-UHFFFAOYSA-N 1 0 394.313 2.783 20 0 GFADRO CON(C)C(=O)C1CC[NH+](CCOc2cc(F)cc(Br)c2)CC1 ZINC000291896709 563763337 /nfs/dbraw/zinc/76/33/37/563763337.db2.gz QZTJTXWKRWHGNA-UHFFFAOYSA-N 1 0 389.265 2.699 20 0 GFADRO [NH3+]CC1CCN(C(=O)Nc2ccc(F)cc2I)CC1 ZINC000415250495 563763497 /nfs/dbraw/zinc/76/34/97/563763497.db2.gz LSIBDPANQJDPLT-UHFFFAOYSA-N 1 0 377.201 2.633 20 0 GFADRO O=C(CC[C@@H]1CCC[NH2+]1)N1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000291912567 563764022 /nfs/dbraw/zinc/76/40/22/563764022.db2.gz QVWSZROUJCTTGC-INIZCTEOSA-N 1 0 384.307 2.810 20 0 GFADRO CC(C)Oc1cc(Br)cc(NC(=O)NCCCN2CC[NH2+]CC2)c1 ZINC000415260397 563764696 /nfs/dbraw/zinc/76/46/96/563764696.db2.gz WXHYEOKRTFWZFG-UHFFFAOYSA-N 1 0 399.333 2.653 20 0 GFADRO CN(C(=O)c1cc(=O)[nH]c2c(Br)cccc12)[C@H]1CCC[NH2+]CC1 ZINC000364805644 563764748 /nfs/dbraw/zinc/76/47/48/563764748.db2.gz VUVOKQSZHMTLQE-NSHDSACASA-N 1 0 378.270 2.917 20 0 GFADRO O=C(NCC1=CC[NH2+]CC1)Nc1ccc(Cl)cc1I ZINC000415288134 563765665 /nfs/dbraw/zinc/76/56/65/563765665.db2.gz ZMBFYTCUSKAGFO-UHFFFAOYSA-N 1 0 391.640 2.986 20 0 GFADRO [NH3+]C[C@@H](NC(=O)Nc1cccc(Oc2ncc(Br)cn2)c1)C1CC1 ZINC000415300201 563766155 /nfs/dbraw/zinc/76/61/55/563766155.db2.gz JGCKAPDPRRZYSB-CQSZACIVSA-N 1 0 392.257 2.890 20 0 GFADRO [NH3+][C@@H](CNC(=O)Nc1cccc(Oc2ncc(Br)cn2)c1)C1CC1 ZINC000415304058 563766285 /nfs/dbraw/zinc/76/62/85/563766285.db2.gz PJYQFYVPWFJCHJ-AWEZNQCLSA-N 1 0 392.257 2.890 20 0 GFADRO CCOc1cc(Br)ccc1NC(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000415298931 563766294 /nfs/dbraw/zinc/76/62/94/563766294.db2.gz MFJJOHWTUMNUPF-GFCCVEGCSA-N 1 0 378.217 2.967 20 0 GFADRO CN(C(=O)C(=O)Nc1ccc(-c2ccc(Cl)s2)nc1)C1CC[NH2+]CC1 ZINC000415316183 563766678 /nfs/dbraw/zinc/76/66/78/563766678.db2.gz AEFKETRNZCBZIQ-UHFFFAOYSA-N 1 0 378.885 2.612 20 0 GFADRO CCOC(=O)c1c(NC(=O)NC2(C)CC[NH2+]CC2)sc2c1CCSC2 ZINC000415333513 563767490 /nfs/dbraw/zinc/76/74/90/563767490.db2.gz JBIAALCCPZKUBQ-UHFFFAOYSA-N 1 0 383.539 2.978 20 0 GFADRO C[C@H](NC(=O)C(=O)Nc1cc(Cl)ccc1Br)[C@H]1CCC[NH2+]C1 ZINC000415346862 563768764 /nfs/dbraw/zinc/76/87/64/563768764.db2.gz CIYIXBOULYLDFJ-UWVGGRQHSA-N 1 0 388.693 2.545 20 0 GFADRO C[C@H](NC(=O)C(=O)Nc1cc(Cl)ccc1Br)[C@@H]1CCC[NH2+]C1 ZINC000415346864 563768921 /nfs/dbraw/zinc/76/89/21/563768921.db2.gz CIYIXBOULYLDFJ-VHSXEESVSA-N 1 0 388.693 2.545 20 0 GFADRO CCOC(=O)c1cc(Br)ccc1NC(=O)N(C)[C@H](C[NH3+])C1CC1 ZINC000415345335 563768978 /nfs/dbraw/zinc/76/89/78/563768978.db2.gz FSAQBFRCXFDVGM-CQSZACIVSA-N 1 0 384.274 2.827 20 0 GFADRO [NH3+]C[C@H]1CCCCN1C(=O)Nc1cnn(-c2ccccc2Br)c1 ZINC000415350459 563769266 /nfs/dbraw/zinc/76/92/66/563769266.db2.gz FUKGOKDRBYRKBS-CYBMUJFWSA-N 1 0 378.274 2.980 20 0 GFADRO CC1(C)CN(C(=O)Nc2cnn(-c3ccccc3Br)c2)CC[NH2+]1 ZINC000415351504 563769529 /nfs/dbraw/zinc/76/95/29/563769529.db2.gz IHNGAQMDRPAWHL-UHFFFAOYSA-N 1 0 378.274 2.851 20 0 GFADRO C[C@H]1CN(C(=O)Nc2cnn(-c3ccccc3Br)c2)CC[C@@H]1[NH3+] ZINC000415354646 563770047 /nfs/dbraw/zinc/77/00/47/563770047.db2.gz NTMWSGGIKGGWOF-FZMZJTMJSA-N 1 0 378.274 2.836 20 0 GFADRO C[NH+]1CCC(CC(=O)NC(C)(C)COc2ncccc2Br)CC1 ZINC000292036693 563770686 /nfs/dbraw/zinc/77/06/86/563770686.db2.gz DFDLVXGVPOCTLY-UHFFFAOYSA-N 1 0 384.318 2.850 20 0 GFADRO CS(=O)(=O)c1cccc(Cl)c1CNC1CCN(Cc2cscn2)CC1 ZINC000365038353 563771710 /nfs/dbraw/zinc/77/17/10/563771710.db2.gz CRRPLOXCLJLJBP-UHFFFAOYSA-N 1 0 399.969 2.954 20 0 GFADRO C[C@@H]([NH3+])C1CCN(C(=O)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000415384517 563771951 /nfs/dbraw/zinc/77/19/51/563771951.db2.gz MVYNAGUWRCVXDC-SECBINFHSA-N 1 0 377.794 2.883 20 0 GFADRO CCCN(C(=O)C(=O)Nc1cc(Cl)ccc1C(F)(F)F)[C@@H]1CC[NH2+]C1 ZINC000415392693 563772078 /nfs/dbraw/zinc/77/20/78/563772078.db2.gz NVWNKXAWHCIOKB-LLVKDONJSA-N 1 0 377.794 2.898 20 0 GFADRO C[C@@H]1CN(S(=O)(=O)c2c[nH]c3nccc(Cl)c23)CC[N@@H+](C2CCC2)C1 ZINC000292068445 563772367 /nfs/dbraw/zinc/77/23/67/563772367.db2.gz POVBVGZMAYSMBH-LBPRGKRZSA-N 1 0 382.917 2.711 20 0 GFADRO C[NH2+]CC1CCN(C(=O)C(=O)Nc2nc(-c3ccc(C)s3)cs2)CC1 ZINC000415396453 563772717 /nfs/dbraw/zinc/77/27/17/563772717.db2.gz HQYOBXGNFJPFSK-UHFFFAOYSA-N 1 0 378.523 2.577 20 0 GFADRO C[C@H]1CN(C(=O)C(=O)Nc2cc(Cl)ccc2SCC(F)(F)F)CC[NH2+]1 ZINC000415407210 563773249 /nfs/dbraw/zinc/77/32/49/563773249.db2.gz ATMLPFSEGXKJOX-VIFPVBQESA-N 1 0 395.834 2.753 20 0 GFADRO O=C(NCC[C@@H]1CCC[NH2+]C1)C(=O)Nc1cccc(Cl)c1Br ZINC000415415487 563773689 /nfs/dbraw/zinc/77/36/89/563773689.db2.gz QUUIAOHSMPDQBX-JTQLQIEISA-N 1 0 388.693 2.547 20 0 GFADRO COC(=O)c1cc(NC(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)ccc1Br ZINC000415413989 563773761 /nfs/dbraw/zinc/77/37/61/563773761.db2.gz ZJBZUTXNGWSZOG-GFCCVEGCSA-N 1 0 382.258 2.594 20 0 GFADRO C[NH2+]CC1CCN(C(=O)Nc2cc(OC)c(Br)c(OC)c2)CC1 ZINC000415418170 563774127 /nfs/dbraw/zinc/77/41/27/563774127.db2.gz XGFBQKJOUPNFRM-UHFFFAOYSA-N 1 0 386.290 2.930 20 0 GFADRO COc1cc(NC(=O)N2CC[C@H](C)[C@H](C[NH3+])C2)cc(OC)c1Br ZINC000415417885 563774305 /nfs/dbraw/zinc/77/43/05/563774305.db2.gz WNLWCZZBYHZRDF-WDEREUQCSA-N 1 0 386.290 2.915 20 0 GFADRO COC(=O)c1cc(Br)cc(C(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000292107219 563774706 /nfs/dbraw/zinc/77/47/06/563774706.db2.gz LVMSVKXZNOYUMI-ABAIWWIYSA-N 1 0 383.286 2.790 20 0 GFADRO [NH3+][C@@H]1CCC[C@@]12CCN(C(=O)C[C@H]1Sc3ccc(Cl)cc3NC1=O)C2 ZINC000365107184 563774753 /nfs/dbraw/zinc/77/47/53/563774753.db2.gz YAFRZQSLKZWYNB-RKVPGOIHSA-N 1 0 379.913 2.873 20 0 GFADRO COCCOc1ccc(Br)cc1NC(=O)N(C)C1CC[NH2+]CC1 ZINC000415429276 563775015 /nfs/dbraw/zinc/77/50/15/563775015.db2.gz RKWRRWRJYGQLTJ-UHFFFAOYSA-N 1 0 386.290 2.690 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)cc1Br ZINC000415432560 563775669 /nfs/dbraw/zinc/77/56/69/563775669.db2.gz FYPLQEOKMVAOAT-OLZOCXBDSA-N 1 0 382.302 2.590 20 0 GFADRO COCCOc1ccc(Br)cc1NC(=O)NC[C@H]1CCC[NH2+]C1 ZINC000415435255 563775737 /nfs/dbraw/zinc/77/57/37/563775737.db2.gz ZDSMJZNWWGDZAD-LBPRGKRZSA-N 1 0 386.290 2.595 20 0 GFADRO [NH3+]CC[C@@H]1CCCN(C(=O)CCNC(=O)Nc2ccc(Br)cc2)C1 ZINC000442623266 563775961 /nfs/dbraw/zinc/77/59/61/563775961.db2.gz NSGUCEAXSIAKDN-ZDUSSCGKSA-N 1 0 397.317 2.548 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)Nc2cc(Cl)cc(Br)c2)C1 ZINC000415447050 563776201 /nfs/dbraw/zinc/77/62/01/563776201.db2.gz PWLHNPYQIBPLNM-UWVGGRQHSA-N 1 0 388.693 2.627 20 0 GFADRO C[C@H](C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1)c1cccc(Br)c1 ZINC000292186941 563777282 /nfs/dbraw/zinc/77/72/82/563777282.db2.gz QOGYGBMIKJTINN-LSDHHAIUSA-N 1 0 381.314 2.733 20 0 GFADRO COC(=O)c1cc(Br)c(F)cc1NC(=O)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000415472912 563777724 /nfs/dbraw/zinc/77/77/24/563777724.db2.gz ZTFQBCXVIWMQLG-PRHODGIISA-N 1 0 388.237 2.576 20 0 GFADRO COc1cc(C)c(Br)cc1NC(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000415479600 563778239 /nfs/dbraw/zinc/77/82/39/563778239.db2.gz FYMSVIXZJSRIPR-GFCCVEGCSA-N 1 0 378.217 2.885 20 0 GFADRO COC(=O)c1scc(C)c1S(=O)(=O)NC[C@@H]1CCCC[N@@H+]1CC(C)C ZINC000442745126 563778185 /nfs/dbraw/zinc/77/81/85/563778185.db2.gz NYACCJXSIAPMOW-AWEZNQCLSA-N 1 0 388.555 2.632 20 0 GFADRO C[C@H](NC(=O)CN1CC[C@@]2(CC[N@H+](C)C2)C1)c1ccc(Br)cc1 ZINC000292204642 563778651 /nfs/dbraw/zinc/77/86/51/563778651.db2.gz SODOAARSYNPXKY-KBXCAEBGSA-N 1 0 380.330 2.654 20 0 GFADRO Cc1cc(NC(=O)C(=O)N(C)CC[C@H]([NH3+])C(C)C)c(F)cc1Br ZINC000415494934 563778886 /nfs/dbraw/zinc/77/88/86/563778886.db2.gz WJMAKXQALKPLOY-ZDUSSCGKSA-N 1 0 388.281 2.667 20 0 GFADRO CN(C(=O)Nc1nnc(-c2cccc(Br)c2)s1)[C@H](C[NH3+])C1CC1 ZINC000415493945 563779031 /nfs/dbraw/zinc/77/90/31/563779031.db2.gz CMYNIJKDXCIUBQ-GFCCVEGCSA-N 1 0 396.314 3.169 20 0 GFADRO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)Nc1c(C)cc(Br)cc1Cl ZINC000415490366 563779056 /nfs/dbraw/zinc/77/90/56/563779056.db2.gz YEDPHIPTBBUFAM-NSHDSACASA-N 1 0 388.693 2.560 20 0 GFADRO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)Nc1ccc(Br)cc1C(C)C ZINC000415484969 563779083 /nfs/dbraw/zinc/77/90/83/563779083.db2.gz CQMAJXJZGJRYQZ-CYBMUJFWSA-N 1 0 382.302 2.721 20 0 GFADRO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)Nc1ccc(-c2ccc(Cl)s2)nc1 ZINC000415500568 563779498 /nfs/dbraw/zinc/77/94/98/563779498.db2.gz SSCBTNYRHBIUPG-GFCCVEGCSA-N 1 0 378.885 2.612 20 0 GFADRO C[NH2+][C@H]1CCCN(C(=O)Nc2nnc(-c3cccc(Br)c3)s2)C1 ZINC000415507494 563780173 /nfs/dbraw/zinc/78/01/73/563780173.db2.gz VMCRWFPJZMJQOL-LBPRGKRZSA-N 1 0 396.314 3.183 20 0 GFADRO Cc1ccc(I)cc1NC(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000415508162 563780260 /nfs/dbraw/zinc/78/02/60/563780260.db2.gz PJBCVIRKKBLREX-HNNXBMFYSA-N 1 0 385.249 2.817 20 0 GFADRO C[NH2+]C[C@H]1CCCN1C(=O)Nc1ccnn1Cc1ccccc1Br ZINC000415518956 563780947 /nfs/dbraw/zinc/78/09/47/563780947.db2.gz DKHQMILNKQRIDO-CQSZACIVSA-N 1 0 392.301 2.910 20 0 GFADRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)Nc1ccc(Br)c2ccccc12 ZINC000415523141 563781254 /nfs/dbraw/zinc/78/12/54/563781254.db2.gz NCLZSHVSBHTYFU-NEPJUHHUSA-N 1 0 390.281 2.737 20 0 GFADRO O=C(c1ccc(I)c(F)c1)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000365395215 563781759 /nfs/dbraw/zinc/78/17/59/563781759.db2.gz NDFDNRSXVNEQDA-LBPRGKRZSA-N 1 0 388.224 2.741 20 0 GFADRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)Nc1cccc(Cl)c1SCC(F)F ZINC000415523550 563781833 /nfs/dbraw/zinc/78/18/33/563781833.db2.gz NJSOBICQYXJLDF-ZJUUUORDSA-N 1 0 391.871 2.831 20 0 GFADRO [NH3+]C[C@H](NC(=O)Nc1ccnn1Cc1ccc(Br)cc1)C1CC1 ZINC000415524960 563781991 /nfs/dbraw/zinc/78/19/91/563781991.db2.gz HNZQQBKRLKHLNU-AWEZNQCLSA-N 1 0 378.274 2.553 20 0 GFADRO O=C(NCCCN1CC[NH2+]CC1)N[C@@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000415524352 563782015 /nfs/dbraw/zinc/78/20/15/563782015.db2.gz RWQYACGGXVFIDG-AWEZNQCLSA-N 1 0 378.826 2.538 20 0 GFADRO CCc1nc(C)c([C@@H](C)[NH2+]CCNS(=O)(=O)c2ccc(F)cc2F)s1 ZINC000442869541 563782394 /nfs/dbraw/zinc/78/23/94/563782394.db2.gz DOUVNACUUMCSMB-SNVBAGLBSA-N 1 0 389.493 2.921 20 0 GFADRO C[C@H]1C[C@@H](NC(=O)Nc2ccnn2Cc2cccc(Br)c2)CC[NH2+]1 ZINC000415529810 563783194 /nfs/dbraw/zinc/78/31/94/563783194.db2.gz UIKIEPXVAUFJPF-WFASDCNBSA-N 1 0 392.301 2.956 20 0 GFADRO [NH3+]C[C@H]1CCCN1C(=O)Nc1ccnn1Cc1ccc(Br)cc1 ZINC000415529387 563783231 /nfs/dbraw/zinc/78/32/31/563783231.db2.gz NHVONRZTFVKQMN-CQSZACIVSA-N 1 0 378.274 2.649 20 0 GFADRO [NH3+]C[C@@H]1CCN(C(=O)Nc2ccnn2Cc2ccc(Br)cc2)C1 ZINC000415530450 563783381 /nfs/dbraw/zinc/78/33/81/563783381.db2.gz OKQGKGDLVHVAPV-ZDUSSCGKSA-N 1 0 378.274 2.506 20 0 GFADRO Cc1cc(Br)cc(NC(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])c1 ZINC000415529938 563783401 /nfs/dbraw/zinc/78/34/01/563783401.db2.gz NWOGNUPJFWWDHS-OAHLLOKOSA-N 1 0 397.317 2.609 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)C(=O)N1CCC(CC[NH2+]C)CC1 ZINC000415546961 563784054 /nfs/dbraw/zinc/78/40/54/563784054.db2.gz DPZLXFQRTXLIQD-UHFFFAOYSA-N 1 0 396.329 2.798 20 0 GFADRO [NH3+]C1(CNC(=O)C(=O)Nc2cc(Cl)ccc2SCC(F)(F)F)CCC1 ZINC000415553721 563784290 /nfs/dbraw/zinc/78/42/90/563784290.db2.gz CFTQPYBTQSBVPL-UHFFFAOYSA-N 1 0 395.834 2.931 20 0 GFADRO CC1(CNC(=O)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC[NH2+]CC1 ZINC000415569100 563784919 /nfs/dbraw/zinc/78/49/19/563784919.db2.gz JSNKYWBGDMAZIN-UHFFFAOYSA-N 1 0 377.794 2.803 20 0 GFADRO CCc1n[nH]c(C(=O)N[C@H]2C[N@H+](C)C[C@H]2c2ccccc2)c1Br ZINC000365538089 563786041 /nfs/dbraw/zinc/78/60/41/563786041.db2.gz NMNAYASDASEEKK-JSGCOSHPSA-N 1 0 377.286 2.562 20 0 GFADRO O=C(c1n[nH]c2ccc(Br)cc21)N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000365538616 563786114 /nfs/dbraw/zinc/78/61/14/563786114.db2.gz NSXRUSRIJKGGFI-HZUKXOBISA-N 1 0 389.297 2.882 20 0 GFADRO CC[C@H](C)Sc1ccc(NC(=O)C(=O)N[C@H](C)C[NH3+])c(C(F)(F)F)c1 ZINC000415593653 563786248 /nfs/dbraw/zinc/78/62/48/563786248.db2.gz FFBVESCFNFUVTP-ZJUUUORDSA-N 1 0 377.432 2.998 20 0 GFADRO COC(=O)c1c(Br)ccc(NC(=O)N[C@@H]2CC[NH2+][C@@H](C)C2)c1C ZINC000415597336 563786374 /nfs/dbraw/zinc/78/63/74/563786374.db2.gz JGVAAQYOBNVSCJ-GXSJLCMTSA-N 1 0 384.274 2.806 20 0 GFADRO CCC(CC)(C[NH3+])NC(=O)Nc1ccc(OC)cc1I ZINC000415601079 563786854 /nfs/dbraw/zinc/78/68/54/563786854.db2.gz VCGUZIXFVVOFNZ-UHFFFAOYSA-N 1 0 391.253 2.939 20 0 GFADRO Cc1c(Br)cccc1C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000365585703 563787735 /nfs/dbraw/zinc/78/77/35/563787735.db2.gz RAPLQQBAULMXHD-AWEZNQCLSA-N 1 0 380.330 2.656 20 0 GFADRO COC(=O)c1cc(NC(=O)NC2(C)CC[NH2+]CC2)cc(Br)c1F ZINC000415614591 563788241 /nfs/dbraw/zinc/78/82/41/563788241.db2.gz PHZABAKRWIQKTB-UHFFFAOYSA-N 1 0 388.237 2.638 20 0 GFADRO COC(=O)c1cc(F)c(Br)cc1NC(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000415631669 563788643 /nfs/dbraw/zinc/78/86/43/563788643.db2.gz NHAHLAQWJDXWJG-BDAKNGLRSA-N 1 0 388.237 2.589 20 0 GFADRO Cc1ncsc1CN(C[C@@H]1CC[NH2+]C1)C(=O)C(=O)Nc1ccsc1Cl ZINC000415620279 563788647 /nfs/dbraw/zinc/78/86/47/563788647.db2.gz IMVYBJALFVFIGA-LLVKDONJSA-N 1 0 398.941 2.743 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)N[C@@H](c2ccc(F)c(Cl)c2)C(F)(F)F)CCCO1 ZINC000415621091 563788711 /nfs/dbraw/zinc/78/87/11/563788711.db2.gz VSCKOTBUEVUUHV-GWCFXTLKSA-N 1 0 383.773 2.842 20 0 GFADRO COC(=O)c1cc(F)c(Br)cc1NC(=O)N1CCC(C[NH3+])CC1 ZINC000415632085 563789373 /nfs/dbraw/zinc/78/93/73/563789373.db2.gz QTTOVCKZPCWQAN-UHFFFAOYSA-N 1 0 388.237 2.577 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C[N@@H+]1CC[C@H]2C(=O)NC[C@H]2C1 ZINC000365655049 563789813 /nfs/dbraw/zinc/78/98/13/563789813.db2.gz UBUHHWYELVHMGF-SUMWQHHRSA-N 1 0 389.297 2.511 20 0 GFADRO OCC1([C@@H]([NH2+]Cc2cnc3ccc(Br)cn23)[C@H]2CCCO2)CCC1 ZINC000365661168 563790529 /nfs/dbraw/zinc/79/05/29/563790529.db2.gz JGNMLIOEDZDCPP-WBVHZDCISA-N 1 0 394.313 2.897 20 0 GFADRO Cc1ccc(NC(=O)C(=O)NC[C@H]2[NH2+]CCCC2(C)C)c(Br)c1 ZINC000415669346 563790800 /nfs/dbraw/zinc/79/08/00/563790800.db2.gz BJTCEHOWWXZADB-CQSZACIVSA-N 1 0 382.302 2.590 20 0 GFADRO C[C@]1(C[NH3+])CCN(C(=O)C(=O)Nc2ccc(-c3ccc(Cl)s3)nc2)C1 ZINC000415686000 563791516 /nfs/dbraw/zinc/79/15/16/563791516.db2.gz HLBMTOHYGFQNJF-QGZVFWFLSA-N 1 0 378.885 2.599 20 0 GFADRO [NH3+]CC[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(C(F)(F)F)cc2Cl)C1 ZINC000415681658 563791530 /nfs/dbraw/zinc/79/15/30/563791530.db2.gz UKALFHXHRMUJRU-JTQLQIEISA-N 1 0 377.794 2.885 20 0 GFADRO [NH3+]CC[C@H]1CCCN(C(=O)C(=O)Nc2ccc(Br)c(Cl)c2)C1 ZINC000415695934 563792189 /nfs/dbraw/zinc/79/21/89/563792189.db2.gz YKPHLFNFYBQBHY-SNVBAGLBSA-N 1 0 388.693 2.628 20 0 GFADRO CC(C)(C[NH3+])NC(=O)Nc1nnc(-c2cccc(OC(F)(F)F)c2)s1 ZINC000415699829 563792153 /nfs/dbraw/zinc/79/21/53/563792153.db2.gz ATDVUMBNNIFZNN-UHFFFAOYSA-N 1 0 375.376 2.963 20 0 GFADRO COC(=O)c1cc(NC(=O)N2CC[C@@H]([C@@H](C)[NH3+])C2)c(C)cc1Br ZINC000415713177 563792732 /nfs/dbraw/zinc/79/27/32/563792732.db2.gz WMGVNZTYQPTVNE-GHMZBOCLSA-N 1 0 384.274 2.745 20 0 GFADRO O[C@@H](COC1CCOCC1)C[N@@H+]1CC[C@H](Cc2ccc(Br)cc2)C1 ZINC000292695827 563793488 /nfs/dbraw/zinc/79/34/88/563793488.db2.gz NIUFKMUOBXCCNT-SJLPKXTDSA-N 1 0 398.341 2.870 20 0 GFADRO Cn1cc(Br)c(CN2CCC[C@@H](c3nnc4n3CCCCC4)C2)n1 ZINC000292694682 563793859 /nfs/dbraw/zinc/79/38/59/563793859.db2.gz SAVAMRSXWAGELN-CYBMUJFWSA-N 1 0 393.333 2.880 20 0 GFADRO C[C@@H]1CCN(C(=O)Nc2ccn(-c3ccc(Br)cc3)n2)C[C@H]1C[NH3+] ZINC000415751979 563794577 /nfs/dbraw/zinc/79/45/77/563794577.db2.gz CLEWHZKPDVRWGH-CHWSQXEVSA-N 1 0 392.301 3.083 20 0 GFADRO [NH3+]C1CCN(C(=O)Nc2cc(Cl)ccc2I)CC1 ZINC000415763510 563794962 /nfs/dbraw/zinc/79/49/62/563794962.db2.gz XURLQKCSRFGHMQ-UHFFFAOYSA-N 1 0 379.629 2.900 20 0 GFADRO C[C@H](CCCC[NH3+])NC(=O)Nc1ccn(-c2ccc(Br)cc2)n1 ZINC000415760738 563795185 /nfs/dbraw/zinc/79/51/85/563795185.db2.gz SSTKJDSYEZOMRG-GFCCVEGCSA-N 1 0 380.290 3.274 20 0 GFADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@H](C)c1ccc(Br)s1 ZINC000443197817 563795364 /nfs/dbraw/zinc/79/53/64/563795364.db2.gz YHGGZMSYYJKOEV-VXGBXAGGSA-N 1 0 390.347 2.982 20 0 GFADRO COc1ccc(Br)c(C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)c1 ZINC000365868625 563795491 /nfs/dbraw/zinc/79/54/91/563795491.db2.gz DNKHIVULTJXCKF-UHFFFAOYSA-N 1 0 393.285 3.173 20 0 GFADRO Cc1ccc(NC(=O)C(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)c(Br)c1 ZINC000415770387 563795773 /nfs/dbraw/zinc/79/57/73/563795773.db2.gz YUBKWRLXEIOVPC-CQSZACIVSA-N 1 0 394.313 2.544 20 0 GFADRO Cc1cc(Br)cc(Cl)c1NC(=O)C(=O)N[C@H](C)CCCC[NH3+] ZINC000415777880 563796303 /nfs/dbraw/zinc/79/63/03/563796303.db2.gz IVXNGFRQMWCIKH-SNVBAGLBSA-N 1 0 390.709 2.983 20 0 GFADRO Brc1ccc(-c2nnc(CN3CC[NH+]([C@H]4CCSC4)CC3)o2)o1 ZINC000366069901 563798519 /nfs/dbraw/zinc/79/85/19/563798519.db2.gz ZKOFWCFWZLQMDD-NSHDSACASA-N 1 0 399.314 2.715 20 0 GFADRO C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(C(F)(F)F)cc2Cl)C[C@H]1C[NH3+] ZINC000415855772 563799840 /nfs/dbraw/zinc/79/98/40/563799840.db2.gz YZVXZAXPADDQEV-NXEZZACHSA-N 1 0 377.794 2.741 20 0 GFADRO O=C(NCCC1=CC[NH2+]CC1)C(=O)Nc1cc(Cl)cc(C(F)(F)F)c1 ZINC000415897365 563800618 /nfs/dbraw/zinc/80/06/18/563800618.db2.gz RVWGCNVICSLHJR-UHFFFAOYSA-N 1 0 375.778 2.723 20 0 GFADRO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]C[C@H]1CN2CCC[C@H]2CO1 ZINC000366220271 563801897 /nfs/dbraw/zinc/80/18/97/563801897.db2.gz UJTCHIRNSGUNLK-COXVUDFISA-N 1 0 396.329 2.619 20 0 GFADRO C[C@H](CNC(=O)N[C@H](CC[NH3+])C(F)(F)F)Oc1cccc(Br)c1 ZINC000415991629 563801992 /nfs/dbraw/zinc/80/19/92/563801992.db2.gz AACHLJHGELWIIS-BXKDBHETSA-N 1 0 398.223 2.795 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2C(=O)COc1cccc(Br)c1 ZINC000366438094 563808262 /nfs/dbraw/zinc/80/82/62/563808262.db2.gz NIOMMBMBJCWJFI-HYVNUMGLSA-N 1 0 397.313 2.538 20 0 GFADRO C[C@@H](NC(=O)NCC1CC[NH+](CCO)CC1)c1ccc(Br)s1 ZINC000443592407 563808606 /nfs/dbraw/zinc/80/86/06/563808606.db2.gz RSSDFJZCXQJCRQ-LLVKDONJSA-N 1 0 390.347 2.575 20 0 GFADRO O=C(c1cc2c(c(Br)c1)OCO2)N1CCC[C@@H]2C[NH2+]CCC[C@H]21 ZINC000366459242 563809038 /nfs/dbraw/zinc/80/90/38/563809038.db2.gz XADWUCXMEOELRY-BXUZGUMPSA-N 1 0 381.270 2.782 20 0 GFADRO CC[C@H](N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000366457071 563809114 /nfs/dbraw/zinc/80/91/14/563809114.db2.gz GTXSSEHRAIJBRC-VYDXJSESSA-N 1 0 385.961 2.916 20 0 GFADRO C[C@@H]1C[NH+](CCCCNC(=O)Cc2cccc(Br)c2)C[C@@H](C)O1 ZINC000443668258 563809446 /nfs/dbraw/zinc/80/94/46/563809446.db2.gz SSVIVDICKTYMAV-HUUCEWRRSA-N 1 0 383.330 2.997 20 0 GFADRO CC[NH+]1CCN(CCC(=O)Nc2cc(Br)c(F)cc2OC)CC1 ZINC000416269997 563812403 /nfs/dbraw/zinc/81/24/03/563812403.db2.gz JCYOESNAXVRESL-UHFFFAOYSA-N 1 0 388.281 2.563 20 0 GFADRO Cc1c(C(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)cnn1-c1ccc(Br)cc1 ZINC000293464812 563813654 /nfs/dbraw/zinc/81/36/54/563813654.db2.gz QHRXYAJUPOOOPS-GUYCJALGSA-N 1 0 389.297 2.767 20 0 GFADRO C[NH+](C)C1(CNC(=O)C2(c3ccc(Br)cc3)CCOCC2)CC1 ZINC000416299012 563813977 /nfs/dbraw/zinc/81/39/77/563813977.db2.gz FCBFXLMDOYPPEP-UHFFFAOYSA-N 1 0 381.314 2.708 20 0 GFADRO C[NH+](C)C1(CNC(=O)CCC[S@@](=O)c2ccc(Br)cc2)CC1 ZINC000416302142 563814168 /nfs/dbraw/zinc/81/41/68/563814168.db2.gz NNGAHDXZSJYVLP-JOCHJYFZSA-N 1 0 387.343 2.547 20 0 GFADRO C[C@H](NS(=O)(=O)c1cc(Br)ccc1F)C(C)(C)C[NH+](C)C ZINC000443899500 563814579 /nfs/dbraw/zinc/81/45/79/563814579.db2.gz UITPDKSVOOFHFQ-JTQLQIEISA-N 1 0 381.311 2.843 20 0 GFADRO C[NH+](C)C1(CNC(=O)[C@H](c2ccc(Br)cc2)N2CCCC2)CC1 ZINC000416308497 563814838 /nfs/dbraw/zinc/81/48/38/563814838.db2.gz RENTXEKALOVBLY-INIZCTEOSA-N 1 0 380.330 2.796 20 0 GFADRO CNC(=O)C1CC[NH+](C[C@](C)(O)c2ccc(Br)cc2Cl)CC1 ZINC000293495910 563814926 /nfs/dbraw/zinc/81/49/26/563814926.db2.gz NKHTZIGVXJNEMT-INIZCTEOSA-N 1 0 389.721 2.768 20 0 GFADRO O=C(N[C@@H]1CC12CC[NH2+]CC2)c1cc(=O)[nH]c2ccc(Br)cc21 ZINC000366596866 563815314 /nfs/dbraw/zinc/81/53/14/563815314.db2.gz LXLQSAXETWIDSD-CQSZACIVSA-N 1 0 376.254 2.575 20 0 GFADRO COCC[N@H+](C)CCCNC(=O)c1ccc(Br)c(Cl)c1F ZINC000443946740 563815635 /nfs/dbraw/zinc/81/56/35/563815635.db2.gz JVTMRSVLVVWLTI-UHFFFAOYSA-N 1 0 381.673 2.940 20 0 GFADRO CC1(C)CCC[N@H+](CCNS(=O)(=O)Cc2ccc(Br)cc2)C1 ZINC000443958993 563816466 /nfs/dbraw/zinc/81/64/66/563816466.db2.gz DRFNGOZROFJJKJ-UHFFFAOYSA-N 1 0 389.359 2.991 20 0 GFADRO CC(C)CS(=O)(=O)N1CCC([NH2+]Cc2cnc(C(F)(F)F)s2)CC1 ZINC000443999215 563817859 /nfs/dbraw/zinc/81/78/59/563817859.db2.gz BWVMMVSQQRVLAA-UHFFFAOYSA-N 1 0 385.477 2.702 20 0 GFADRO COc1cc(OC)c(S(=O)(=O)NC[C@H](C)[NH+]2CCC(C)CC2)cc1Cl ZINC000416381964 563820452 /nfs/dbraw/zinc/82/04/52/563820452.db2.gz BPFPUTQLODHLJX-ZDUSSCGKSA-N 1 0 390.933 2.756 20 0 GFADRO CCOC(=O)c1cc(Cl)cc(S(=O)(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000293602709 563820444 /nfs/dbraw/zinc/82/04/44/563820444.db2.gz XYCIQTPSDWMFBY-SWLSCSKDSA-N 1 0 388.917 2.620 20 0 GFADRO Cn1cc2c(n1)CCC[C@@H]2[NH2+][C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000366838389 563821410 /nfs/dbraw/zinc/82/14/10/563821410.db2.gz BHPOCGICHOQXHI-DOTOQJQBSA-N 1 0 389.297 2.955 20 0 GFADRO CCC[C@@H](C)C(=O)NCC[NH2+][C@@H](C)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000293704813 563821860 /nfs/dbraw/zinc/82/18/60/563821860.db2.gz MIPBHCYIOIRPCB-OLZOCXBDSA-N 1 0 376.469 2.886 20 0 GFADRO COc1cc(OC)c(S(=O)(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)cc1Cl ZINC000416392563 563822638 /nfs/dbraw/zinc/82/26/38/563822638.db2.gz SXAIOBKXPIVLJF-CYBMUJFWSA-N 1 0 388.917 2.606 20 0 GFADRO CCOC(=O)C[C@H](NC(=O)[C@H]1C[C@@]12CC[NH2+]C2)c1ccc(Br)cc1 ZINC000444134200 563822751 /nfs/dbraw/zinc/82/27/51/563822751.db2.gz XQAYYEUXCPDIBD-RVKKMQEKSA-N 1 0 395.297 2.559 20 0 GFADRO Cc1cc(S(=O)(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)c(F)cc1Br ZINC000416408153 563823698 /nfs/dbraw/zinc/82/36/98/563823698.db2.gz OFQQKAWEQJBQAV-MNOVXSKESA-N 1 0 379.295 2.658 20 0 GFADRO COc1cc(Br)c(-c2csc(N3CC[NH2+]CC3)n2)cc1OC ZINC000416405224 563823814 /nfs/dbraw/zinc/82/38/14/563823814.db2.gz SMYZLRRFAYHSMX-UHFFFAOYSA-N 1 0 384.299 2.999 20 0 GFADRO CCCS(=O)(=O)Nc1cccc(NC(=O)[C@@]2([NH+](C)C)CCCSC2)c1 ZINC000366908911 563824583 /nfs/dbraw/zinc/82/45/83/563824583.db2.gz FLMYRRJYQUWHEU-QGZVFWFLSA-N 1 0 385.555 2.604 20 0 GFADRO C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)[C@@H]2C[C@]23CC[NH2+]C3)CC1 ZINC000444269389 563826492 /nfs/dbraw/zinc/82/64/92/563826492.db2.gz OJKZFANCALGECW-LJHODMEESA-N 1 0 392.341 2.654 20 0 GFADRO COC(=O)COc1ccc(NC(=O)[C@@]2([NH+](C)C)CCCSC2)cc1Cl ZINC000367036782 563828489 /nfs/dbraw/zinc/82/84/89/563828489.db2.gz IGDLNAAUQFOMHZ-QGZVFWFLSA-N 1 0 386.901 2.658 20 0 GFADRO C[C@H](Oc1ccc(F)cc1Br)C(=O)Nc1ccnn1CC[NH+](C)C ZINC000293950375 563828576 /nfs/dbraw/zinc/82/85/76/563828576.db2.gz DJUUQUDJWGCYSB-NSHDSACASA-N 1 0 399.264 2.752 20 0 GFADRO COC(=O)c1c(Cl)cccc1S(=O)(=O)N(C)CC[NH+](C(C)C)C(C)C ZINC000416452490 563830609 /nfs/dbraw/zinc/83/06/09/563830609.db2.gz CYIHESBDPDNRBT-UHFFFAOYSA-N 1 0 390.933 2.866 20 0 GFADRO C[C@@H]1CN(C(=O)Nc2cccc(Br)c2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000367097021 563830753 /nfs/dbraw/zinc/83/07/53/563830753.db2.gz VQEZAQDZZLBZBO-RHSMWYFYSA-N 1 0 395.345 2.939 20 0 GFADRO O=C(Cc1cc(Br)ccc1F)NC[C@@H]1CN2CCCC[C@H]2CO1 ZINC000367142519 563832797 /nfs/dbraw/zinc/83/27/97/563832797.db2.gz XQOGXOZJMFWZRM-LSDHHAIUSA-N 1 0 385.277 2.500 20 0 GFADRO CCOc1ccnc(N2CCCN(Cc3ncc(CSC)s3)CC2)n1 ZINC000294197034 563833541 /nfs/dbraw/zinc/83/35/41/563833541.db2.gz KOTHSKPMHIELHV-UHFFFAOYSA-N 1 0 379.555 2.907 20 0 GFADRO Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000294221109 563834542 /nfs/dbraw/zinc/83/45/42/563834542.db2.gz RCFNGRLTPYXXIU-OAHLLOKOSA-N 1 0 378.826 2.808 20 0 GFADRO C[N@@H+]1CC[C@@H]2CCN(S(=O)(=O)c3c(Cl)cccc3Br)C[C@H]21 ZINC000367178481 563834558 /nfs/dbraw/zinc/83/45/58/563834558.db2.gz JHTIYNMKDONBCN-ZWNOBZJWSA-N 1 0 393.734 2.817 20 0 GFADRO Cc1ccc(Br)c(NC(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c1 ZINC000367184608 563834753 /nfs/dbraw/zinc/83/47/53/563834753.db2.gz KGEJHDASPJBUSS-CVEARBPZSA-N 1 0 382.302 2.820 20 0 GFADRO Cc1cc(Br)ccc1CN(C)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000444707351 563835345 /nfs/dbraw/zinc/83/53/45/563835345.db2.gz PWCBDIXNVDRROV-UHFFFAOYSA-N 1 0 394.357 2.932 20 0 GFADRO Cc1nc(-c2ccc(S(=O)(=O)N3CCC4(C3)CC[NH2+]CC4)s2)cs1 ZINC000367202134 563835561 /nfs/dbraw/zinc/83/55/61/563835561.db2.gz YBOVRFGSMORKMN-UHFFFAOYSA-N 1 0 383.564 2.944 20 0 GFADRO O=C(N[C@@H](CO)C[NH+]1CCCCC1)c1[nH]c2ccccc2c1Br ZINC000294295062 563837780 /nfs/dbraw/zinc/83/77/80/563837780.db2.gz HICCHBIFXSLQDP-GFCCVEGCSA-N 1 0 380.286 2.507 20 0 GFADRO COc1cc(Br)c(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1OC ZINC000294341598 563838876 /nfs/dbraw/zinc/83/88/76/563838876.db2.gz FMIKTOBGJIUHTM-KGLIPLIRSA-N 1 0 383.286 2.823 20 0 GFADRO Cc1ccc(Br)c(S(=O)(=O)NCCCC[N@@H+](C)C2CC2)c1 ZINC000416507889 563840917 /nfs/dbraw/zinc/84/09/17/563840917.db2.gz PIGPPLGJIKTJFC-UHFFFAOYSA-N 1 0 375.332 2.910 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)c1cc[nH]c(=O)c1Br)c1cccc(F)c1 ZINC000445250639 563846222 /nfs/dbraw/zinc/84/62/22/563846222.db2.gz OWNZUPJJDCNPFZ-ZDUSSCGKSA-N 1 0 382.233 2.722 20 0 GFADRO COc1cc(OC)cc(S(=O)(=O)N(CC[NH+](C)C)Cc2ccsc2)c1 ZINC000416551267 563846931 /nfs/dbraw/zinc/84/69/31/563846931.db2.gz GQMUHSFDLUKOAU-UHFFFAOYSA-N 1 0 384.523 2.518 20 0 GFADRO CC[C@H](Cc1cccc(Br)c1)C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000367595961 563850155 /nfs/dbraw/zinc/85/01/55/563850155.db2.gz OLQQAEVRNXXWAR-AEFFLSMTSA-N 1 0 394.357 2.524 20 0 GFADRO Brc1cnc(CN2CC[NH+]3CCC2CC3)c(Br)c1 ZINC000367668770 563851721 /nfs/dbraw/zinc/85/17/21/563851721.db2.gz QPGHFHAXLQXZLB-UHFFFAOYSA-N 1 0 375.108 2.887 20 0 GFADRO O=S(=O)(c1c(Cl)cc(F)cc1Br)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000367802742 563856269 /nfs/dbraw/zinc/85/62/69/563856269.db2.gz VEGZXWVBOGADDV-PELKAZGASA-N 1 0 397.697 2.614 20 0 GFADRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1CCOc1cc(F)cc(Br)c1 ZINC000446001430 563856937 /nfs/dbraw/zinc/85/69/37/563856937.db2.gz INGIDWAEXACHPN-CYBMUJFWSA-N 1 0 389.309 2.744 20 0 GFADRO CC[NH+](CC)CCOC1CCN(C(=O)C(=O)Nc2ccsc2Cl)CC1 ZINC000446053357 563857616 /nfs/dbraw/zinc/85/76/16/563857616.db2.gz MBSCUTZJVMRKLA-UHFFFAOYSA-N 1 0 387.933 2.689 20 0 GFADRO COC(=O)c1cc(Cl)ccc1S(=O)(=O)N(C)C(C)(C)C[NH+]1CCCC1 ZINC000416658857 563859221 /nfs/dbraw/zinc/85/92/21/563859221.db2.gz GNWRGUYDJXDIMJ-UHFFFAOYSA-N 1 0 388.917 2.622 20 0 GFADRO CN(Cc1c(F)cccc1Cl)S(=O)(=O)N(C)C(C)(C)C[NH+]1CCCC1 ZINC000416660069 563859276 /nfs/dbraw/zinc/85/92/76/563859276.db2.gz JQWBSDBILZGEPV-UHFFFAOYSA-N 1 0 391.940 2.962 20 0 GFADRO C[NH+](C)C1(CNC(=O)C(=O)Nc2cc(Cl)cc(C(F)(F)F)c2)CCC1 ZINC000446167081 563859808 /nfs/dbraw/zinc/85/98/08/563859808.db2.gz FUGWVLSPZILVRC-UHFFFAOYSA-N 1 0 377.794 2.898 20 0 GFADRO O=C(c1[nH]nc(-c2ccccc2)c1Br)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000368001719 563861368 /nfs/dbraw/zinc/86/13/68/563861368.db2.gz QMXRSWARSPBNLU-CHWSQXEVSA-N 1 0 375.270 2.521 20 0 GFADRO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)[C@@H]1CCN(c2cc(Cl)ccc2Cl)C1=O ZINC000368115665 563864488 /nfs/dbraw/zinc/86/44/88/563864488.db2.gz PGPYDNBNUBOQCG-RWMBFGLXSA-N 1 0 388.270 2.505 20 0 GFADRO C[C@H](NC(=O)[C@H](C)[N@@H+]1CC[C@H]2C(=O)NC[C@H]2C1)c1ccc(Cl)cc1Cl ZINC000368239788 563866808 /nfs/dbraw/zinc/86/68/08/563866808.db2.gz HKJITEOZQXZLKK-JUFZMCDQSA-N 1 0 384.307 2.627 20 0 GFADRO O=C(NCCNc1ncc(Cl)cc1Cl)NCc1ccc2c(c1)C[NH2+]C2 ZINC000417063914 563867036 /nfs/dbraw/zinc/86/70/36/563867036.db2.gz OCPQHTFDZRSGAJ-UHFFFAOYSA-N 1 0 380.279 2.903 20 0 GFADRO [NH3+]CCCOC1CCN(C(=O)NCc2csc(Br)c2)CC1 ZINC000417095137 563868091 /nfs/dbraw/zinc/86/80/91/563868091.db2.gz NGYNWNXQBKGWFL-UHFFFAOYSA-N 1 0 376.320 2.550 20 0 GFADRO CO[C@@H]1CCN(C(=O)N[C@@H](C)Cc2ccc(Br)cc2)[C@@H](C[NH3+])C1 ZINC000417097958 563868111 /nfs/dbraw/zinc/86/81/11/563868111.db2.gz FCPSFTBWQDGZKH-APHBMKBZSA-N 1 0 384.318 2.528 20 0 GFADRO C[C@H](NC(=O)N1C[C@@H](C[NH3+])C[C@H]1C)c1cc2c(cc1Br)OCCO2 ZINC000417168580 563869527 /nfs/dbraw/zinc/86/95/27/563869527.db2.gz AUHBPUHBWHYRHN-GRYCIOLGSA-N 1 0 398.301 2.660 20 0 GFADRO C[C@H]([NH3+])[C@H](C)NC(=O)NCC1(c2cccc(Br)c2)CCOCC1 ZINC000417173181 563870095 /nfs/dbraw/zinc/87/00/95/563870095.db2.gz HBIYNWGSBNITKA-STQMWFEESA-N 1 0 384.318 2.532 20 0 GFADRO C[N@@H+]1CCC[C@@H](N2CCN(c3ccnc4cc(Br)cnc43)CC2)C1 ZINC000368399939 563870188 /nfs/dbraw/zinc/87/01/88/563870188.db2.gz NEHMOEPFBXRXHC-OAHLLOKOSA-N 1 0 390.329 2.609 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)[C@@H]1CCCN(c2ccc(Br)cn2)C1 ZINC000368451534 563871278 /nfs/dbraw/zinc/87/12/78/563871278.db2.gz SJHYRUQJXTVEGW-SQWLQELKSA-N 1 0 395.345 2.789 20 0 GFADRO Cn1nc(Br)cc1C(=O)N1CCC[C@@H]([NH2+]Cc2ccccc2)C1 ZINC000368460434 563871630 /nfs/dbraw/zinc/87/16/30/563871630.db2.gz CSLWJLHMFMPEEA-CQSZACIVSA-N 1 0 377.286 2.577 20 0 GFADRO C[C@H](NC(=O)N1CC[NH2+]C(C)(C)C1)c1cc2c(cc1Br)OCCO2 ZINC000417189715 563871980 /nfs/dbraw/zinc/87/19/80/563871980.db2.gz YVZROBYWBUALOT-NSHDSACASA-N 1 0 398.301 2.675 20 0 GFADRO C[NH2+]C[C@@H]1C[C@H](F)CN1S(=O)(=O)c1ccc(-c2csc(C)n2)s1 ZINC000368497938 563872493 /nfs/dbraw/zinc/87/24/93/563872493.db2.gz CMMPMMDLSDDQCV-QWRGUYRKSA-N 1 0 375.516 2.501 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2S(=O)(=O)c1csc2ccccc21 ZINC000368512096 563873002 /nfs/dbraw/zinc/87/30/02/563873002.db2.gz PUBOYZMBGXUBOF-FVQBIDKESA-N 1 0 380.535 2.774 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)NCc1cn2cc(Br)ccc2n1 ZINC000417218140 563873833 /nfs/dbraw/zinc/87/38/33/563873833.db2.gz KWBNJLFHPZWLLN-BXUZGUMPSA-N 1 0 380.290 2.508 20 0 GFADRO CC[N@@H+]1CC[C@@H](NCc2ccc(S(C)(=O)=O)c(C(F)(F)F)c2)[C@H](C)C1 ZINC000447084625 563873953 /nfs/dbraw/zinc/87/39/53/563873953.db2.gz FCRYIGLUOUATCL-IUODEOHRSA-N 1 0 378.460 2.929 20 0 GFADRO CC(C)[C@@](C)(C[NH3+])NC(=O)[C@H]1CCCN(c2ccc(Br)cn2)C1 ZINC000368561382 563874303 /nfs/dbraw/zinc/87/43/03/563874303.db2.gz JYFBMCBIBLCITR-SUMWQHHRSA-N 1 0 383.334 2.550 20 0 GFADRO O=S1(=O)CCC[C@H]([NH2+]C2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000368583983 563874645 /nfs/dbraw/zinc/87/46/45/563874645.db2.gz QYJWNTKNZRAWAU-HNNXBMFYSA-N 1 0 376.444 2.841 20 0 GFADRO CC1(NC(=O)NC[C@H]2CCN(c3cccc(Br)c3)C2)CC[NH2+]CC1 ZINC000417265149 563875897 /nfs/dbraw/zinc/87/58/97/563875897.db2.gz ULUZHTXMXANEFL-CQSZACIVSA-N 1 0 395.345 2.717 20 0 GFADRO C[C@H](Cc1cccc(Br)c1)NC(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000417286105 563876674 /nfs/dbraw/zinc/87/66/74/563876674.db2.gz MNIRNPLYAIARKT-MFKMUULPSA-N 1 0 376.245 2.677 20 0 GFADRO O=C(CCC[S@](=O)c1ccc(Br)cc1)N[C@H]1CCC[NH2+]CC1 ZINC000368721738 563877547 /nfs/dbraw/zinc/87/75/47/563877547.db2.gz KEQIRMWIEXEBOD-FPTDNZKUSA-N 1 0 387.343 2.595 20 0 GFADRO CC(C)(O)C[N@@H+]1CCCN(c2ccnc3cc(Br)cnc32)CC1 ZINC000368712252 563877660 /nfs/dbraw/zinc/87/76/60/563877660.db2.gz LPOYKXPRHWSRDI-UHFFFAOYSA-N 1 0 379.302 2.675 20 0 GFADRO O=C(NCCC[NH2+]Cc1cccnc1)NCc1ccccc1Br ZINC000417350464 563878553 /nfs/dbraw/zinc/87/85/53/563878553.db2.gz QELXRPCABPXEGG-UHFFFAOYSA-N 1 0 377.286 2.823 20 0 GFADRO C[C@H](NC(=O)c1cccs1)C(=O)NC1CC[NH+](Cc2cccs2)CC1 ZINC000368802457 563879316 /nfs/dbraw/zinc/87/93/16/563879316.db2.gz NHTMWFGLRJMRHD-ZDUSSCGKSA-N 1 0 377.535 2.709 20 0 GFADRO C[C@]1(C[NH3+])CCN(C(=O)NCc2cc(Br)ccc2OC(F)F)C1 ZINC000417416430 563879658 /nfs/dbraw/zinc/87/96/58/563879658.db2.gz ZYPIIBAEXNLQTH-OAHLLOKOSA-N 1 0 392.244 2.931 20 0 GFADRO CC(C)(CNC(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1)c1cccc(Br)c1 ZINC000417418297 563879793 /nfs/dbraw/zinc/87/97/93/563879793.db2.gz BBHHVLYPASQUOK-KBPBESRZSA-N 1 0 380.330 2.978 20 0 GFADRO CN1CC[NH+](CCC2CCN(C(=O)c3ccc(Br)o3)CC2)CC1 ZINC000368843882 563880028 /nfs/dbraw/zinc/88/00/28/563880028.db2.gz IEGWMIUNSHRDIJ-UHFFFAOYSA-N 1 0 384.318 2.532 20 0 GFADRO CC[C@@H]([NH3+])CNC(=O)NCC1(c2ccc(Br)cc2)CCOCC1 ZINC000417433313 563880236 /nfs/dbraw/zinc/88/02/36/563880236.db2.gz VBKQMNUVEYSETM-OAHLLOKOSA-N 1 0 384.318 2.534 20 0 GFADRO O=C(CSc1nncs1)NCC1CC[NH+](CCc2ccccc2)CC1 ZINC000368875319 563880608 /nfs/dbraw/zinc/88/06/08/563880608.db2.gz FLRYSBNWWVHFRQ-UHFFFAOYSA-N 1 0 376.551 2.701 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)N[C@H](C)CCC[NH3+] ZINC000417483660 563881068 /nfs/dbraw/zinc/88/10/68/563881068.db2.gz JRKCPVGCLNOVNR-GFCCVEGCSA-N 1 0 385.306 2.513 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000417485660 563881103 /nfs/dbraw/zinc/88/11/03/563881103.db2.gz LQSDVENZJYNFSU-UONOGXRCSA-N 1 0 397.317 2.655 20 0 GFADRO CN(C(=O)c1ccc(Br)cn1)C1CCN(c2cc[nH+]cc2)CC1 ZINC000368937746 563882035 /nfs/dbraw/zinc/88/20/35/563882035.db2.gz RFUQTNNFTMQZPB-UHFFFAOYSA-N 1 0 375.270 2.980 20 0 GFADRO C[C@H](CO)[N@@H+]1CCCN(CC(=O)Nc2c(Cl)cc(Cl)cc2Cl)CC1 ZINC000368963765 563882738 /nfs/dbraw/zinc/88/27/38/563882738.db2.gz LIMUIUOQVNGZJK-LLVKDONJSA-N 1 0 394.730 2.974 20 0 GFADRO Brc1ccc(C[C@H]2CCC[N@@H+]2Cc2nnc3n2CCOC3)cc1 ZINC000369052871 563885607 /nfs/dbraw/zinc/88/56/07/563885607.db2.gz FCXRUFCBRNCSBB-OAHLLOKOSA-N 1 0 377.286 2.778 20 0 GFADRO CCCC[C@H](C[NH3+])NC(=O)N[C@H]1CCN(c2ccccc2Br)C1 ZINC000417604983 563885920 /nfs/dbraw/zinc/88/59/20/563885920.db2.gz WNEBTZVCMOCRGP-KGLIPLIRSA-N 1 0 383.334 2.845 20 0 GFADRO O=C(NCCCc1ccc(Br)cc1F)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000417682733 563887220 /nfs/dbraw/zinc/88/72/20/563887220.db2.gz TWOHHVKLVNKVGW-UONOGXRCSA-N 1 0 384.293 2.772 20 0 GFADRO C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)NCCOc1ncc(C(F)(F)F)cc1Cl ZINC000417739668 563888010 /nfs/dbraw/zinc/88/80/10/563888010.db2.gz QQOGTBUSHXGIPD-VHSXEESVSA-N 1 0 380.798 2.524 20 0 GFADRO C[C@H](NC(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1)c1cccc(Cl)c1Cl ZINC000417736375 563888085 /nfs/dbraw/zinc/88/80/85/563888085.db2.gz BCHMNDXOMWRMQL-RYUDHWBXSA-N 1 0 387.311 2.551 20 0 GFADRO C[C@H](CNC(=O)N[C@H](C)[C@H]1CCC[NH2+]C1)Oc1ccc(Br)cc1 ZINC000417769341 563888696 /nfs/dbraw/zinc/88/86/96/563888696.db2.gz DJSJNKOJMWMPFH-MCIONIFRSA-N 1 0 384.318 2.904 20 0 GFADRO C[C@H](CNC(=O)NCCC1=CC[NH2+]CC1)Oc1ccc(Br)cc1 ZINC000417770022 563888722 /nfs/dbraw/zinc/88/87/22/563888722.db2.gz FALMVTCTWFQPRI-CYBMUJFWSA-N 1 0 382.302 2.825 20 0 GFADRO C[C@@H](CCC[NH3+])NC(=O)N[C@@H](C)c1nc(-c2ccc(Br)cc2)no1 ZINC000417878351 563890318 /nfs/dbraw/zinc/89/03/18/563890318.db2.gz AQJMUOHERTYFEG-QWRGUYRKSA-N 1 0 396.289 2.987 20 0 GFADRO C[C@H](C(=O)Nc1cccc(Cl)c1Cl)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000369270520 563891300 /nfs/dbraw/zinc/89/13/00/563891300.db2.gz MBIVVWZXHHDFSX-DAXOMENPSA-N 1 0 386.323 2.851 20 0 GFADRO COC(=O)c1ccc(S(=O)(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)c(Cl)c1 ZINC000447946524 563891678 /nfs/dbraw/zinc/89/16/78/563891678.db2.gz VWNFLNPHZKZPKC-OAHLLOKOSA-N 1 0 388.917 2.525 20 0 GFADRO CC(=O)N1CCC(C[NH2+]Cc2ccc(F)cc2I)CC1 ZINC000417920935 563892269 /nfs/dbraw/zinc/89/22/69/563892269.db2.gz ZHTASNNFBOKCGJ-UHFFFAOYSA-N 1 0 390.240 2.778 20 0 GFADRO OC[C@H]([NH2+]Cc1ccc(Br)c(Br)c1)[C@H]1CCCO1 ZINC000447984154 563892512 /nfs/dbraw/zinc/89/25/12/563892512.db2.gz WPWDYRHXBMAFRS-QWHCGFSZSA-N 1 0 379.092 2.841 20 0 GFADRO O=C(Cc1ccc(Br)s1)NC[C@H]1CCC[C@H]1[NH+]1CCOCC1 ZINC000369335329 563892672 /nfs/dbraw/zinc/89/26/72/563892672.db2.gz ODWUIEXCJJAPGF-TZMCWYRMSA-N 1 0 387.343 2.670 20 0 GFADRO C[NH2+][C@@H]1CCN(C(=O)NCCCOc2ncc(C(F)(F)F)cc2Cl)C1 ZINC000417967291 563893175 /nfs/dbraw/zinc/89/31/75/563893175.db2.gz VERGFVKCICFTIO-LLVKDONJSA-N 1 0 380.798 2.526 20 0 GFADRO O=C(N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1)N[C@H]1C[NH2+]CCC1(F)F ZINC000417975112 563893683 /nfs/dbraw/zinc/89/36/83/563893683.db2.gz AAJBCRRYURHHOR-YGRLFVJLSA-N 1 0 393.265 2.869 20 0 GFADRO CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)N1C[C@@H](C[NH3+])C[C@H]1C ZINC000417990364 563893690 /nfs/dbraw/zinc/89/36/90/563893690.db2.gz REONFUCQBCEZKC-IATRGZMQSA-N 1 0 384.318 2.904 20 0 GFADRO C[NH2+][C@@H]1CCN(C(=O)NC2CCN(Cc3cc(Cl)cc(Cl)c3)CC2)C1 ZINC000417999113 563894357 /nfs/dbraw/zinc/89/43/57/563894357.db2.gz UMJFPHLAHDGTQZ-QGZVFWFLSA-N 1 0 385.339 2.961 20 0 GFADRO COc1cc(Br)ccc1CCCNC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000417998631 563894405 /nfs/dbraw/zinc/89/44/05/563894405.db2.gz HFUUMEWEJNOCPN-HUUCEWRRSA-N 1 0 396.329 2.641 20 0 GFADRO Cc1cc(Br)cn2cc(CNC(=O)N3CCC[C@H]([C@@H](C)[NH3+])C3)nc12 ZINC000418027762 563896004 /nfs/dbraw/zinc/89/60/04/563896004.db2.gz XJUOQLVVHAXLDX-OLZOCXBDSA-N 1 0 394.317 2.674 20 0 GFADRO COCC1(CNC(=O)NCc2cccc(C)c2Br)CC[NH2+]CC1 ZINC000418054019 563896813 /nfs/dbraw/zinc/89/68/13/563896813.db2.gz FAHJHMGVHDHROF-UHFFFAOYSA-N 1 0 384.318 2.573 20 0 GFADRO CN(C(=O)N[C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O)C1CC([NH3+])C1 ZINC000418076946 563897658 /nfs/dbraw/zinc/89/76/58/563897658.db2.gz HJHUSZRIHQHFAA-ORHYLEIMSA-N 1 0 385.295 2.620 20 0 GFADRO [NH3+][C@H](CNC(=O)N[C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O)C1CC1 ZINC000418078395 563897717 /nfs/dbraw/zinc/89/77/17/563897717.db2.gz JFXPUSCUCILXPO-ZIAGYGMSSA-N 1 0 385.295 2.525 20 0 GFADRO [NH3+]CC[C@H](NC(=O)N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1)C(F)F ZINC000418082620 563898040 /nfs/dbraw/zinc/89/80/40/563898040.db2.gz QSAMHUHTGCLNNH-JQWIXIFHSA-N 1 0 381.254 2.854 20 0 GFADRO [NH3+][C@@H]1CCCN(C(=O)N[C@H]2CCCN(c3ccc(Cl)cc3Cl)C2=O)C1 ZINC000418084328 563898219 /nfs/dbraw/zinc/89/82/19/563898219.db2.gz VEFKJXXAGYLASX-OCCSQVGLSA-N 1 0 385.295 2.622 20 0 GFADRO O=C(NCCC[NH+]1CCCC1)C1(c2cccc(Br)c2)CC(=O)C1 ZINC000448597334 563898476 /nfs/dbraw/zinc/89/84/76/563898476.db2.gz OTAJDVUUBYEYJK-UHFFFAOYSA-N 1 0 379.298 2.652 20 0 GFADRO C[NH+](C)CCN1CCN(C(=O)c2ccc3scc(Br)c3c2)CC1 ZINC000448600383 563898787 /nfs/dbraw/zinc/89/87/87/563898787.db2.gz GMPCNNIQDHPTNK-UHFFFAOYSA-N 1 0 396.354 2.983 20 0 GFADRO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000418114685 563899374 /nfs/dbraw/zinc/89/93/74/563899374.db2.gz OILZGHIRTIPRJR-LSDHHAIUSA-N 1 0 393.329 2.522 20 0 GFADRO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1CC1=Cc2cc(Br)ccc2OC1 ZINC000418112753 563899423 /nfs/dbraw/zinc/89/94/23/563899423.db2.gz LODVIXVKRPMKFF-ZIAGYGMSSA-N 1 0 381.314 2.612 20 0 GFADRO C[C@@H](CCc1ccc(I)cc1)NC(=O)NCCCC[NH3+] ZINC000418111914 563899571 /nfs/dbraw/zinc/89/95/71/563899571.db2.gz GCXKHWWSPGZEFG-LBPRGKRZSA-N 1 0 389.281 2.650 20 0 GFADRO CC[C@H](NC(=O)N1CCCO[C@H](C[NH3+])C1)c1cc(F)cc(Br)c1 ZINC000418143304 563899874 /nfs/dbraw/zinc/89/98/74/563899874.db2.gz LVQSMSUOPXUXTA-CABCVRRESA-N 1 0 388.281 2.799 20 0 GFADRO O=C(NCCCC[NH+]1CCOCC1)c1cc2c(Br)cccc2cn1 ZINC000448712973 563900010 /nfs/dbraw/zinc/90/00/10/563900010.db2.gz HJIADEJKYALVPI-UHFFFAOYSA-N 1 0 392.297 2.840 20 0 GFADRO CN(C(=O)NCc1ccc(I)c(Cl)c1)C1CC([NH3+])C1 ZINC000418157216 563900346 /nfs/dbraw/zinc/90/03/46/563900346.db2.gz MNLLKUCPRPKAMD-UHFFFAOYSA-N 1 0 393.656 2.576 20 0 GFADRO C[C@@H](C[NH3+])NC(=O)NC[C@@H](c1ccc(Cl)cc1)N(C)CCC(F)(F)F ZINC000418168894 563900452 /nfs/dbraw/zinc/90/04/52/563900452.db2.gz MMFYRZVJYKYMKQ-FZMZJTMJSA-N 1 0 380.842 2.912 20 0 GFADRO [NH3+]C[C@@H](NC(=O)N[C@H]1COc2cc(F)c(Br)cc21)C1CCCC1 ZINC000418163839 563900502 /nfs/dbraw/zinc/90/05/02/563900502.db2.gz RHGZBLCYJNBBTA-KGLIPLIRSA-N 1 0 386.265 2.838 20 0 GFADRO O=C(NCCCn1cc(Br)cn1)NCC[NH2+]C1CCCCCC1 ZINC000418189296 563900786 /nfs/dbraw/zinc/90/07/86/563900786.db2.gz HJYHNNKGUQGEAH-UHFFFAOYSA-N 1 0 386.338 2.647 20 0 GFADRO Cc1cc(Br)cc(C)c1N1CCC[C@H](NC(=O)NCCC[NH3+])C1 ZINC000418174557 563900791 /nfs/dbraw/zinc/90/07/91/563900791.db2.gz DLZJBBOFTZEYGW-HNNXBMFYSA-N 1 0 383.334 2.683 20 0 GFADRO CO[C@@H]1CCN(C(=O)N[C@@H](C)c2ccc(Br)cc2F)[C@@H](C[NH3+])C1 ZINC000418178148 563900799 /nfs/dbraw/zinc/90/07/99/563900799.db2.gz FDOCFEGVEVKXDD-CYZMBNFOSA-N 1 0 388.281 2.797 20 0 GFADRO CC[N@@H+]1CCCC[C@H]1CNC(=O)c1cccnc1-n1cc(Br)cn1 ZINC000448951161 563903761 /nfs/dbraw/zinc/90/37/61/563903761.db2.gz BJLZPCMYCLQFDO-AWEZNQCLSA-N 1 0 392.301 2.634 20 0 GFADRO COc1cc(Br)c(C(=O)N(C)[C@H]2C[NH+]3CCC2CC3)cc1OC ZINC000448954744 563903801 /nfs/dbraw/zinc/90/38/01/563903801.db2.gz LHNBMNYWINCMTM-AWEZNQCLSA-N 1 0 383.286 2.633 20 0 GFADRO CC(C)C[C@@H](CNC(=O)c1cccnc1-n1cc(Br)cn1)[NH+](C)C ZINC000448966731 563904120 /nfs/dbraw/zinc/90/41/20/563904120.db2.gz AIVXHWLOHZLVLC-AWEZNQCLSA-N 1 0 394.317 2.736 20 0 GFADRO O[C@H](C[NH2+]Cc1cccc(Br)c1F)COc1ccc2c(c1)OCO2 ZINC000449096412 563906430 /nfs/dbraw/zinc/90/64/30/563906430.db2.gz HJYKGADRZVIXSJ-GFCCVEGCSA-N 1 0 398.228 2.846 20 0 GFADRO CC(C)COc1ccccc1C[NH2+]C[C@@H](O)CS(=O)(=O)c1cccs1 ZINC000449194465 563907691 /nfs/dbraw/zinc/90/76/91/563907691.db2.gz SMJHXANHUAAZPM-MRXNPFEDSA-N 1 0 383.535 2.707 20 0 GFADRO O=S(=O)(C1CC1)N1CCC([NH2+]Cc2cccc(F)c2Br)CC1 ZINC000449194066 563907723 /nfs/dbraw/zinc/90/77/23/563907723.db2.gz XBJAKBKCEHQTQI-UHFFFAOYSA-N 1 0 391.306 2.634 20 0 GFADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1CNc1cc(OC)cc[nH+]1 ZINC000449203890 563908341 /nfs/dbraw/zinc/90/83/41/563908341.db2.gz IOFQQSKJZUFWDH-LLVKDONJSA-N 1 0 394.269 2.978 20 0 GFADRO C[C@H]([NH3+])C[C@H](C)NC(=O)C1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000563171433 564178445 /nfs/dbraw/zinc/17/84/45/564178445.db2.gz XEGPPKWNJICRJZ-STQMWFEESA-N 1 0 396.329 2.543 20 0 GFADRO CCOCCOC[C@H](O)C[NH2+]Cc1ccnc2c(Br)cccc12 ZINC000449283536 564179028 /nfs/dbraw/zinc/17/90/28/564179028.db2.gz LHCBQGTZIXZRNQ-CQSZACIVSA-N 1 0 383.286 2.501 20 0 GFADRO C[C@@H]([NH2+]CCS(=O)(=O)NC(C)(C)C)c1ccc(OCC(F)(F)F)cc1 ZINC000537981678 564179358 /nfs/dbraw/zinc/17/93/58/564179358.db2.gz VKBJQJVYAGZYRH-GFCCVEGCSA-N 1 0 382.448 2.996 20 0 GFADRO C[C@H](CN1CCC[C@](O)(C(F)(F)F)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000449322808 564180445 /nfs/dbraw/zinc/18/04/45/564180445.db2.gz QOBQPJWVBFKWCZ-CZUORRHYSA-N 1 0 379.444 2.973 20 0 GFADRO Fc1cc(Br)cc(C[NH2+]C[C@@H](N2CCOCC2)C(F)(F)F)c1 ZINC000449321452 564180619 /nfs/dbraw/zinc/18/06/19/564180619.db2.gz SPXGKHDMNIUODE-CYBMUJFWSA-N 1 0 385.199 2.941 20 0 GFADRO COc1cc(Br)c(C[NH2+]C[C@@H](O)Cc2cccc(F)c2)cc1O ZINC000449362842 564182351 /nfs/dbraw/zinc/18/23/51/564182351.db2.gz NRMMTZVXPGTDRM-AWEZNQCLSA-N 1 0 384.245 2.996 20 0 GFADRO C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+]C[C@H]1CCCCN1CCO ZINC000449388546 564182954 /nfs/dbraw/zinc/18/29/54/564182954.db2.gz AJLKWSJKPRKEOU-WMLDXEAASA-N 1 0 398.345 2.603 20 0 GFADRO COc1cccc2c1CC[C@@H]([NH2+]CCn1cc(Br)ccc1=O)C2 ZINC000449376926 564183087 /nfs/dbraw/zinc/18/30/87/564183087.db2.gz NHJGSUMQWOMIPM-OAHLLOKOSA-N 1 0 377.282 2.767 20 0 GFADRO COCC[NH+]1CCC(Nc2ccc(I)cc2OC)CC1 ZINC000449385978 564183424 /nfs/dbraw/zinc/18/34/24/564183424.db2.gz GYFIDIVOIZZYPT-UHFFFAOYSA-N 1 0 390.265 2.823 20 0 GFADRO CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CCn2cc(Br)ccc2=O)C[C@@H]1C ZINC000449381099 564183508 /nfs/dbraw/zinc/18/35/08/564183508.db2.gz XQPWKCALKVLATE-NWANDNLSSA-N 1 0 385.302 2.568 20 0 GFADRO OCCC[N@@H+]1CCC[C@@H](NCc2cn(-c3cccc(Cl)c3Cl)nn2)C1 ZINC000449393476 564183918 /nfs/dbraw/zinc/18/39/18/564183918.db2.gz CFEFJABJIYWQKU-CYBMUJFWSA-N 1 0 384.311 2.511 20 0 GFADRO CN(C)C(=O)[C@@H]1CC[C@H](C[NH2+][C@@H]2CCc3c2cc(Br)cc3F)O1 ZINC000538194754 564184241 /nfs/dbraw/zinc/18/42/41/564184241.db2.gz LFWCKYRXYYSCFV-LYRGGWFBSA-N 1 0 385.277 2.801 20 0 GFADRO COCCSc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCN(S(C)(=O)=O)C2)cc1 ZINC000538205424 564184844 /nfs/dbraw/zinc/18/48/44/564184844.db2.gz ZGEMMHYDJWEVTM-CVEARBPZSA-N 1 0 386.583 2.747 20 0 GFADRO CC(C)(O)C(C)(C)[NH2+]C[C@H](O)COc1ccc(Cl)cc1Br ZINC000505562220 564185910 /nfs/dbraw/zinc/18/59/10/564185910.db2.gz QAMMGUPMTCOXFF-NSHDSACASA-N 1 0 380.710 2.981 20 0 GFADRO CC[NH+]1CCN(CCC(=O)N2CCc3cc(Br)cc(C)c3C2)CC1 ZINC000538272640 564186454 /nfs/dbraw/zinc/18/64/54/564186454.db2.gz WQCJYCLJZFTEAQ-UHFFFAOYSA-N 1 0 394.357 2.670 20 0 GFADRO CC[C@H](CNS(C)(=O)=O)[NH2+]Cc1cnc(-c2c(F)cccc2F)s1 ZINC000449441798 564186704 /nfs/dbraw/zinc/18/67/04/564186704.db2.gz IQKFMXQGRAQZLN-SNVBAGLBSA-N 1 0 375.466 2.506 20 0 GFADRO CC[C@H](CNS(C)(=O)=O)[NH2+]C1CC(c2ccc(Br)cc2F)C1 ZINC000449441544 564186919 /nfs/dbraw/zinc/18/69/19/564186919.db2.gz GWLMEXDNEKLASM-YXMLORGKSA-N 1 0 393.322 2.752 20 0 GFADRO CO[C@@H]1COCC[C@H]1C[NH2+]Cc1c(F)ccc(I)c1F ZINC000449456308 564186928 /nfs/dbraw/zinc/18/69/28/564186928.db2.gz FACXYYBKFVDJAH-TVQRCGJNSA-N 1 0 397.203 2.711 20 0 GFADRO C[NH+](C)CCn1ccc(C(=O)NC(C)(C)Cc2ccc(Br)cc2)n1 ZINC000563375127 564188323 /nfs/dbraw/zinc/18/83/23/564188323.db2.gz FDEMXSUTYVEECG-UHFFFAOYSA-N 1 0 393.329 2.958 20 0 GFADRO C[C@@H]([NH2+]CCNS(=O)(=O)Cc1ccon1)c1cc2cc(Cl)ccc2o1 ZINC000538393159 564190165 /nfs/dbraw/zinc/19/01/65/564190165.db2.gz HLHJHUFXIVTEPR-LLVKDONJSA-N 1 0 383.857 2.844 20 0 GFADRO [NH3+]CC12CCC(CC1)CN2S(=O)(=O)c1ccc(OCC(F)(F)F)cc1 ZINC000563421344 564190261 /nfs/dbraw/zinc/19/02/61/564190261.db2.gz IECAPYNBRLKQAH-UHFFFAOYSA-N 1 0 378.416 2.520 20 0 GFADRO Cc1ccc(C[C@H](CO)C[NH2+]Cc2cc(C(N)=O)cs2)cc1Br ZINC000449600315 564190970 /nfs/dbraw/zinc/19/09/70/564190970.db2.gz NXAUQVOJDUFKHO-ZDUSSCGKSA-N 1 0 397.338 2.859 20 0 GFADRO COC(=O)C(C)(C)CC[NH2+]C[C@H](CO)Cc1cc(Br)ccc1F ZINC000449599188 564191228 /nfs/dbraw/zinc/19/12/28/564191228.db2.gz KGOZPKZJWZZSPS-GFCCVEGCSA-N 1 0 390.293 2.918 20 0 GFADRO Cc1ccc(C[C@@H](CO)C[NH2+]Cc2cnc(N(C)C)nc2)cc1Br ZINC000449602085 564192027 /nfs/dbraw/zinc/19/20/27/564192027.db2.gz STEFUDQWKLOTNV-OAHLLOKOSA-N 1 0 393.329 2.554 20 0 GFADRO COC[C@@]1(CNC(=O)Nc2ccc(Br)c(C3CC3)n2)CCC[NH2+]1 ZINC000563494440 564193114 /nfs/dbraw/zinc/19/31/14/564193114.db2.gz GVIVECRIVMBFLN-INIZCTEOSA-N 1 0 383.290 2.612 20 0 GFADRO CC(C)[N@H+](C)C[C@@H](C)NC(=O)c1cc(I)ccc1F ZINC000563489536 564193661 /nfs/dbraw/zinc/19/36/61/564193661.db2.gz ZSTCEBURGFGICM-SNVBAGLBSA-N 1 0 378.229 2.889 20 0 GFADRO COc1ccc(Br)cc1C[C@@H](CO)C[NH2+]Cc1c(C)nn(C)c1C ZINC000449677598 564194231 /nfs/dbraw/zinc/19/42/31/564194231.db2.gz BUPPRSUANFNKOO-CQSZACIVSA-N 1 0 396.329 2.749 20 0 GFADRO CCNC(=O)[C@H](C)[NH2+][C@H]1CCCOc2ccc(I)cc21 ZINC000538622972 564195090 /nfs/dbraw/zinc/19/50/90/564195090.db2.gz SKHQJOHQYYGDCW-GWCFXTLKSA-N 1 0 388.249 2.619 20 0 GFADRO COc1ccc(Br)cc1C[C@@H](CO)C[NH2+][C@@H](C)CCn1cccn1 ZINC000449679926 564196059 /nfs/dbraw/zinc/19/60/59/564196059.db2.gz IXZNKGOXXLUYMI-LSDHHAIUSA-N 1 0 396.329 2.874 20 0 GFADRO Cc1c(Br)ccnc1NC(=O)N(CC[NH+](C)C)C[C@H]1CCCO1 ZINC000563550201 564196203 /nfs/dbraw/zinc/19/62/03/564196203.db2.gz KFYPZCROTQOGTG-CYBMUJFWSA-N 1 0 385.306 2.727 20 0 GFADRO COc1ccc(Br)cc1C(=O)CCC(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000449709295 564198143 /nfs/dbraw/zinc/19/81/43/564198143.db2.gz IICLPZQIVCUWEH-AAEUAGOBSA-N 1 0 383.286 2.664 20 0 GFADRO COCC1(CNC(=O)c2cc(Cl)cc(Br)c2F)CC[NH2+]CC1 ZINC000563617797 564198914 /nfs/dbraw/zinc/19/89/14/564198914.db2.gz TXVBWHSLFQOAFN-UHFFFAOYSA-N 1 0 393.684 2.988 20 0 GFADRO Cc1c(C(=O)N[C@@H]2CC[NH2+]C2(C)C)cnn1-c1ccc(Br)cc1 ZINC000449745090 564199877 /nfs/dbraw/zinc/19/98/77/564199877.db2.gz AWZFQZFPGUKDKV-OAHLLOKOSA-N 1 0 377.286 2.814 20 0 GFADRO Cc1c(C(=O)N[C@H]2CC[NH2+]C2(C)C)cnn1-c1ccc(Br)cc1 ZINC000449745089 564199931 /nfs/dbraw/zinc/19/99/31/564199931.db2.gz AWZFQZFPGUKDKV-HNNXBMFYSA-N 1 0 377.286 2.814 20 0 GFADRO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1C[C@H](C)c1cccc(Br)c1 ZINC000538761903 564200523 /nfs/dbraw/zinc/20/05/23/564200523.db2.gz KEPRXGMESWCRDS-SWLSCSKDSA-N 1 0 375.332 2.566 20 0 GFADRO CC[C@@H](C(=O)NCc1ccc(I)c(Cl)c1)[NH+](C)C ZINC000506345222 564201683 /nfs/dbraw/zinc/20/16/83/564201683.db2.gz DZSIOQGYOBVCCW-LBPRGKRZSA-N 1 0 380.657 2.901 20 0 GFADRO Cc1cc(C[N@@H+]2CCC[C@](O)(C(=O)N3CCCC3)C2)ccc1Br ZINC000449770163 564201739 /nfs/dbraw/zinc/20/17/39/564201739.db2.gz VXYHORZZKGWGQF-GOSISDBHSA-N 1 0 381.314 2.707 20 0 GFADRO Cc1csc(Sc2ccc(NC(=O)NC[C@@H]3C[NH2+]CCN3C)cc2)n1 ZINC000563691758 564202557 /nfs/dbraw/zinc/20/25/57/564202557.db2.gz IVWNPNZJLMZBRB-AWEZNQCLSA-N 1 0 377.539 2.628 20 0 GFADRO CC(C)N(C)C[C@@H](C)[NH2+][C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000563753615 564205871 /nfs/dbraw/zinc/20/58/71/564205871.db2.gz IFWOGBJZKWAMMP-IUODEOHRSA-N 1 0 389.359 2.986 20 0 GFADRO CC[C@H]1CC[C@@H](C)[N@@H+]1CC(=O)NCC(=O)Nc1ccccc1Br ZINC000538953222 564206945 /nfs/dbraw/zinc/20/69/45/564206945.db2.gz GIJYDIIYTGPSSY-OLZOCXBDSA-N 1 0 382.302 2.767 20 0 GFADRO CSCC[C@H](CO)[NH2+][C@H](C)CC(=O)Nc1cccc(Br)c1 ZINC000539057333 564208441 /nfs/dbraw/zinc/20/84/41/564208441.db2.gz YQYYXVKSNTYUMH-BXUZGUMPSA-N 1 0 375.332 2.870 20 0 GFADRO CN(C)c1cc[nH+]cc1C(=O)N[C@@H]1COc2cc(F)c(Br)cc21 ZINC000506668805 564209094 /nfs/dbraw/zinc/20/90/94/564209094.db2.gz JBDURUKEAVJYLT-CYBMUJFWSA-N 1 0 380.217 2.913 20 0 GFADRO C[C@H](NC(=O)c1cccnc1-n1cc(Br)cn1)C(C)(C)C[NH+](C)C ZINC000449985321 564211897 /nfs/dbraw/zinc/21/18/97/564211897.db2.gz CBMXLBRMULPPKA-LBPRGKRZSA-N 1 0 394.317 2.736 20 0 GFADRO Cc1cc(C)c(C(=O)NCCN2CCC([NH+](C)C)CC2)cc1Br ZINC000450052103 564215595 /nfs/dbraw/zinc/21/55/95/564215595.db2.gz YMJFSUCDQOYCSZ-UHFFFAOYSA-N 1 0 382.346 2.822 20 0 GFADRO OC[C@@H]([NH2+]Cc1ccnc(-c2ccc(Br)cc2)n1)C1CCOCC1 ZINC000564002989 564216497 /nfs/dbraw/zinc/21/64/97/564216497.db2.gz QJLJAUZGQZGNBG-QGZVFWFLSA-N 1 0 392.297 2.783 20 0 GFADRO C[C@@H]1CN(C[C@@H](O)C[NH2+]C(C)(C)c2ccccc2Br)C[C@@H](C)O1 ZINC000539325452 564216909 /nfs/dbraw/zinc/21/69/09/564216909.db2.gz WITYTFVIOUGKFI-KFWWJZLASA-N 1 0 385.346 2.744 20 0 GFADRO O=C(NCCCCn1cc(Br)cn1)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000472236543 564217404 /nfs/dbraw/zinc/21/74/04/564217404.db2.gz DDTSKOQUKZOSMO-INIZCTEOSA-N 1 0 398.349 2.742 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCc2ccc(S(=O)(=O)CC)s2)C[C@@H]1C ZINC000472277456 564218327 /nfs/dbraw/zinc/21/83/27/564218327.db2.gz PMRQGIUBKYPXNN-UONOGXRCSA-N 1 0 387.571 2.556 20 0 GFADRO COc1ccc(Br)cc1C(=O)CCC(=O)NCC1=CC[N@H+](C)CC1 ZINC000539442231 564220280 /nfs/dbraw/zinc/22/02/80/564220280.db2.gz SIXADWHQGMCYKS-UHFFFAOYSA-N 1 0 395.297 2.799 20 0 GFADRO C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]Cc1ccnc(N(C)C)n1 ZINC000539507580 564221711 /nfs/dbraw/zinc/22/17/11/564221711.db2.gz WVWLMZKRTZMKQP-LBPRGKRZSA-N 1 0 392.301 2.812 20 0 GFADRO NC(=O)c1ncc(Br)cc1NCCC[N@@H+]1CCc2ccccc2C1 ZINC000472496874 564224749 /nfs/dbraw/zinc/22/47/49/564224749.db2.gz JVKIWAPXSSDRGM-UHFFFAOYSA-N 1 0 389.297 2.803 20 0 GFADRO O=C(NC[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1)c1ccsc1Br ZINC000450289410 564226020 /nfs/dbraw/zinc/22/60/20/564226020.db2.gz VBXDEMBKGRTMCI-UONOGXRCSA-N 1 0 395.322 2.876 20 0 GFADRO C[C@H](O)C[NH+]1CCC(CN(C)c2ncnc3cc(Br)ccc32)CC1 ZINC000450312905 564226833 /nfs/dbraw/zinc/22/68/33/564226833.db2.gz OGPMWARAIKIXSX-ZDUSSCGKSA-N 1 0 393.329 2.921 20 0 GFADRO C[C@H]1CN(C(=O)c2ccsc2Br)CCN1C1CC[NH+](C)CC1 ZINC000450360400 564228775 /nfs/dbraw/zinc/22/87/75/564228775.db2.gz BAVZBMYZFMYINT-LBPRGKRZSA-N 1 0 386.359 2.751 20 0 GFADRO Cc1cc(Br)cn2cc(CN[C@@H]3CCOC[C@H]3[C@H]3CCC[NH2+]3)nc12 ZINC000564320769 564229095 /nfs/dbraw/zinc/22/90/95/564229095.db2.gz OSSLYSTVWYMDRY-GVDBMIGSSA-N 1 0 393.329 2.652 20 0 GFADRO Cc1cc(Br)ccc1S(=O)(=O)N1CCC(C[NH+](C)C)CC1 ZINC000472600925 564229226 /nfs/dbraw/zinc/22/92/26/564229226.db2.gz WWEDFNOQLMQOKY-UHFFFAOYSA-N 1 0 375.332 2.720 20 0 GFADRO CC[C@H]1CN(c2ncnc3cc(Br)ccc32)C[C@@H]1[NH+]1CCOCC1 ZINC000450386102 564231000 /nfs/dbraw/zinc/23/10/00/564231000.db2.gz DCYODXFSASXYCB-GUYCJALGSA-N 1 0 391.313 2.939 20 0 GFADRO C[N@H+](CCO)C1CCN(C(=O)c2c(Cl)cc(F)cc2Br)CC1 ZINC000450413950 564231865 /nfs/dbraw/zinc/23/18/65/564231865.db2.gz WUGWHPFLPNEUMW-UHFFFAOYSA-N 1 0 393.684 2.770 20 0 GFADRO CC[NH+](CC)CC[C@H](CO)NC(=O)c1cc2cc(Br)ccc2[nH]1 ZINC000539920413 564232665 /nfs/dbraw/zinc/23/26/65/564232665.db2.gz AMHQHTNYZJNNRP-CQSZACIVSA-N 1 0 382.302 2.753 20 0 GFADRO CC[C@@H](CO)[NH+]1CCN(CCCC(=O)c2ccc(Br)cc2)CC1 ZINC000450440391 564232751 /nfs/dbraw/zinc/23/27/51/564232751.db2.gz QJAYMOPGHCISCQ-KRWDZBQOSA-N 1 0 383.330 2.801 20 0 GFADRO CC[C@H](Cn1cncn1)[NH2+][C@@H](C)c1cc2c(cc1Br)OCCO2 ZINC000564424184 564233446 /nfs/dbraw/zinc/23/34/46/564233446.db2.gz QPLCUBBZSFWRKX-NWDGAFQWSA-N 1 0 381.274 2.941 20 0 GFADRO Cc1cc(OC[C@H](O)C[NH2+][C@@H]2CCCS(=O)(=O)C2)c(C(C)C)cc1Cl ZINC000564445014 564234393 /nfs/dbraw/zinc/23/43/93/564234393.db2.gz ZBSSXXZWYSKDFW-HUUCEWRRSA-N 1 0 389.945 2.678 20 0 GFADRO C[C@H](CO)[N@@H+]1CCCN(c2ncc(Br)cc2C(F)(F)F)CC1 ZINC000450478018 564234672 /nfs/dbraw/zinc/23/46/72/564234672.db2.gz YZOOJFTUQPDLRI-SNVBAGLBSA-N 1 0 382.224 2.756 20 0 GFADRO NC(=O)[C@@H]1CCC[C@@H]([NH2+]Cc2c(Br)cncc2Br)C1 ZINC000564530292 564237602 /nfs/dbraw/zinc/23/76/02/564237602.db2.gz YRSTUAPMIJXRGH-RKDXNWHRSA-N 1 0 391.107 2.740 20 0 GFADRO O=C(CCNC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)Nc1cc(Cl)cc(Cl)c1 ZINC000564553454 564238502 /nfs/dbraw/zinc/23/85/02/564238502.db2.gz UKHPTXOEQXICTJ-OKILXGFUSA-N 1 0 385.295 2.858 20 0 GFADRO CCC[C@H]([NH2+]C(C)C)C(=O)NCC(=O)Nc1ccc(Br)c(C)c1 ZINC000473341034 564244706 /nfs/dbraw/zinc/24/47/06/564244706.db2.gz BGYOUZZWYYDMHY-HNNXBMFYSA-N 1 0 384.318 2.979 20 0 GFADRO C[N@H+](CCCO)C1CCN(C(=O)[C@@H]2CCc3cc(Br)ccc32)CC1 ZINC000564730386 564246852 /nfs/dbraw/zinc/24/68/52/564246852.db2.gz LAIGKDKBZPAIEZ-GOSISDBHSA-N 1 0 395.341 2.784 20 0 GFADRO COCCOC[C@H](O)C[NH2+][C@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000450766290 564246922 /nfs/dbraw/zinc/24/69/22/564246922.db2.gz ZGEZVDQUEXKPEB-CVEARBPZSA-N 1 0 376.266 2.653 20 0 GFADRO CCCC[N@H+](CCCO)CC(=O)Nc1ccc(I)cc1 ZINC000540425863 564247780 /nfs/dbraw/zinc/24/77/80/564247780.db2.gz KQPWSBNMMLYXKC-UHFFFAOYSA-N 1 0 390.265 2.714 20 0 GFADRO Cn1cc([C@@H]2CN(C(=O)[C@@H]3C[C@@H]3c3cc(Cl)cc(Cl)c3)C[C@H]2[NH3+])cn1 ZINC000564793209 564249083 /nfs/dbraw/zinc/24/90/83/564249083.db2.gz PKSMSZWGQJGVPT-WCXIOVBPSA-N 1 0 379.291 2.784 20 0 GFADRO Cn1c(-c2ccc(Br)s2)nnc1N1CC[NH+](C2CCC2)CC1 ZINC000507982467 564250201 /nfs/dbraw/zinc/25/02/01/564250201.db2.gz QDVLFPWBGRPZKW-UHFFFAOYSA-N 1 0 382.331 2.981 20 0 GFADRO CC(C)[C@H](C(=O)N1CCN(C(=O)c2cc3sccc3s2)CC1)[NH+](C)C ZINC000473621298 564250416 /nfs/dbraw/zinc/25/04/16/564250416.db2.gz CRSBRSVLCRDLFP-MRXNPFEDSA-N 1 0 379.551 2.833 20 0 GFADRO COc1ccc(NC(=O)N[C@H](C)CC[NH+]2CCN(C)CC2)c(Br)c1 ZINC000473675477 564252310 /nfs/dbraw/zinc/25/23/10/564252310.db2.gz LJGAQZYEGOQLSW-CYBMUJFWSA-N 1 0 399.333 2.605 20 0 GFADRO O=C(NCCC[NH2+]C[C@H](O)Cc1ccccc1)c1ccc(Br)cc1 ZINC000564847475 564252976 /nfs/dbraw/zinc/25/29/76/564252976.db2.gz NOVKFPNXORJIRF-GOSISDBHSA-N 1 0 391.309 2.762 20 0 GFADRO C[NH+](C)[C@H](CNS(=O)(=O)c1cncc(Br)c1)C1CCCCC1 ZINC000473916923 564256537 /nfs/dbraw/zinc/25/65/37/564256537.db2.gz ADXPRHBCGJGDCK-OAHLLOKOSA-N 1 0 390.347 2.633 20 0 GFADRO Cc1ccc(Br)cc1C[N@@H+]1CCC[C@](O)(C(=O)N2CCCC2)C1 ZINC000450960679 564257199 /nfs/dbraw/zinc/25/71/99/564257199.db2.gz PHIHGHQKLSGBOS-GOSISDBHSA-N 1 0 381.314 2.707 20 0 GFADRO C[C@H]1C[C@@H](C(=O)NCc2nc(-c3cccc(Br)c3)no2)CC[NH2+]1 ZINC000564937876 564258308 /nfs/dbraw/zinc/25/83/08/564258308.db2.gz QOZBXNQEGVNQLI-JQWIXIFHSA-N 1 0 379.258 2.503 20 0 GFADRO Cc1cc(COc2ccc(C(=O)N[C@@H](C)[C@@H](C)[NH3+])cc2Br)on1 ZINC000564957472 564259394 /nfs/dbraw/zinc/25/93/94/564259394.db2.gz KGSWAYGQELVGTA-MNOVXSKESA-N 1 0 382.258 2.790 20 0 GFADRO COC(=O)C[C@](C)([NH2+]CC1(C(=O)OC)CC1)c1ccc(Br)cc1 ZINC000450981553 564259481 /nfs/dbraw/zinc/25/94/81/564259481.db2.gz ALOWSVLVHVAUIY-INIZCTEOSA-N 1 0 384.270 2.770 20 0 GFADRO O=S(=O)(Cc1cc(Cl)ccc1Br)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000564960229 564259744 /nfs/dbraw/zinc/25/97/44/564259744.db2.gz IEELYFYSCNNJPG-CQSZACIVSA-N 1 0 393.734 2.618 20 0 GFADRO O=S(=O)(c1ccc(Br)c(F)c1)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000564966387 564259795 /nfs/dbraw/zinc/25/97/95/564259795.db2.gz HZFUIZOYLQHBFS-NWDGAFQWSA-N 1 0 391.306 2.598 20 0 GFADRO CC(C)[N@@H+]1CC[C@H](CNC(=O)N[C@H](CO)c2ccc(Br)cc2)C1 ZINC000540910247 564260322 /nfs/dbraw/zinc/26/03/22/564260322.db2.gz SMEOPGXJFHXLHX-CZUORRHYSA-N 1 0 384.318 2.512 20 0 GFADRO Cc1cc(C)c(C(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)cc1Br ZINC000450986115 564260328 /nfs/dbraw/zinc/26/03/28/564260328.db2.gz GCRPLFJAEKKZDW-CQSZACIVSA-N 1 0 383.330 2.983 20 0 GFADRO CCCN(C1CC[NH2+]CC1)S(=O)(=O)c1cc(OC)cc(C(F)(F)F)c1 ZINC000564960211 564260346 /nfs/dbraw/zinc/26/03/46/564260346.db2.gz GYCIFKHCUHIWGV-UHFFFAOYSA-N 1 0 380.432 2.867 20 0 GFADRO CCC[C@@H]1C[NH2+]CCN1CC(=O)Nc1c(F)cc(F)cc1Br ZINC000564987902 564260989 /nfs/dbraw/zinc/26/09/89/564260989.db2.gz UCGHERTZQBLBNV-LLVKDONJSA-N 1 0 376.245 2.740 20 0 GFADRO C[N@@H+]1CCN(CCNC(=O)[C@H]2C[C@@H]2c2cccc(Br)c2)CC1(C)C ZINC000508349937 564261565 /nfs/dbraw/zinc/26/15/65/564261565.db2.gz ZNDWBEKXJUHBBV-SJORKVTESA-N 1 0 394.357 2.695 20 0 GFADRO CCOC(=O)COc1c(Br)cc(C)cc1C[N@H+](C)[C@@H]1CCOC1 ZINC000540997858 564262226 /nfs/dbraw/zinc/26/22/26/564262226.db2.gz PRPFQQINFRARID-CQSZACIVSA-N 1 0 386.286 2.920 20 0 GFADRO CC[NH+]1CCC(N(C)S(=O)(=O)c2cc(C(=O)OC)cc(Cl)c2C)CC1 ZINC000451018099 564264449 /nfs/dbraw/zinc/26/44/49/564264449.db2.gz LUDRZCXVFMTNHD-UHFFFAOYSA-N 1 0 388.917 2.540 20 0 GFADRO COc1cc(C)c(Br)cc1S(=O)(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000474107344 564265197 /nfs/dbraw/zinc/26/51/97/564265197.db2.gz XXQCZRBKPPSMSD-NWDGAFQWSA-N 1 0 391.331 2.527 20 0 GFADRO COCC[NH2+]C1CCN(CCOc2cc(F)cc(Br)c2)CC1 ZINC000565092260 564265509 /nfs/dbraw/zinc/26/55/09/564265509.db2.gz GZCDUKLKPOVMFE-UHFFFAOYSA-N 1 0 375.282 2.667 20 0 GFADRO COc1ccc(C[NH2+]C[C@@H]2CCN(S(=O)(=O)c3cccs3)C2)c(F)c1 ZINC000565084368 564265570 /nfs/dbraw/zinc/26/55/70/564265570.db2.gz VGOMZSNTVSETCZ-ZDUSSCGKSA-N 1 0 384.498 2.696 20 0 GFADRO O=C1C[C@H](C[NH2+]Cc2nc(-c3cccc(Br)c3)c[nH]2)CN1C1CC1 ZINC000565089834 564265925 /nfs/dbraw/zinc/26/59/25/564265925.db2.gz UIKSTARTEIMTOZ-GFCCVEGCSA-N 1 0 389.297 2.940 20 0 GFADRO COC(=O)[C@H]1CC[C@@H]1C(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000508535245 564266110 /nfs/dbraw/zinc/26/61/10/564266110.db2.gz RQJIAPLUXCGIDU-HOTGVXAUSA-N 1 0 397.313 2.539 20 0 GFADRO C[C@](CO)([NH2+]C[C@H](O)COc1ccc(Cl)cc1Cl)c1cccc(O)c1 ZINC000451042544 564266951 /nfs/dbraw/zinc/26/69/51/564266951.db2.gz VYHGKZPJDGEOGL-MAUKXSAKSA-N 1 0 386.275 2.936 20 0 GFADRO O=C(NCC[NH+]1CCCCC1)c1cc(I)ccc1F ZINC000474152407 564267731 /nfs/dbraw/zinc/26/77/31/564267731.db2.gz HFLINDBDIKFVGB-UHFFFAOYSA-N 1 0 376.213 2.646 20 0 GFADRO [NH3+]CCCOC1CCN(C(=O)c2c[nH]c3cccc(Br)c23)CC1 ZINC000565148285 564267841 /nfs/dbraw/zinc/26/78/41/564267841.db2.gz RTOTXCFICZMAQE-UHFFFAOYSA-N 1 0 380.286 2.900 20 0 GFADRO O=S(=O)(Cc1ccc(Br)c(F)c1)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000451054473 564268221 /nfs/dbraw/zinc/26/82/21/564268221.db2.gz LCYRUTNMXYFJRN-LSDHHAIUSA-N 1 0 391.306 2.634 20 0 GFADRO Fc1ccc(CC2([NH2+]C[C@@H]3COCCO3)CCOCC2)c(Br)c1 ZINC000451067485 564269585 /nfs/dbraw/zinc/26/95/85/564269585.db2.gz FWKHRHCBFDHFLD-OAHLLOKOSA-N 1 0 388.277 2.685 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)c1cc(I)ccc1F)C1CC1 ZINC000474223099 564270771 /nfs/dbraw/zinc/27/07/71/564270771.db2.gz LODICWYBONWIQF-CYBMUJFWSA-N 1 0 376.213 2.500 20 0 GFADRO C[C@@H]1CN(C(=O)CNC(=O)c2ccc(Cl)cc2Cl)CC[N@@H+](C2CC2)C1 ZINC000565285835 564273765 /nfs/dbraw/zinc/27/37/65/564273765.db2.gz DQXSJSUDINNRSB-LBPRGKRZSA-N 1 0 384.307 2.666 20 0 GFADRO O=C(CC[NH2+][C@H]1C[C@@H]2CCCCN2C1=O)Nc1ccc(Br)cc1 ZINC000565299936 564274898 /nfs/dbraw/zinc/27/48/98/564274898.db2.gz LHYUKPYFFRDDFG-GJZGRUSLSA-N 1 0 380.286 2.521 20 0 GFADRO Cc1csc(C(=O)NCC[C@H]2CCC[NH2+]C2)c1I ZINC000565299631 564275081 /nfs/dbraw/zinc/27/50/81/564275081.db2.gz XUFFRWUFJWLZKV-SNVBAGLBSA-N 1 0 378.279 2.781 20 0 GFADRO CCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cc(Cl)c(Cl)cc1OC ZINC000508979990 564278046 /nfs/dbraw/zinc/27/80/46/564278046.db2.gz OYCWDZPFYPSWNY-NSHDSACASA-N 1 0 388.295 2.931 20 0 GFADRO [NH3+][C@H]1CCc2ncc(NC(=O)COc3ccc(Br)cc3F)cc2C1 ZINC000565357923 564278060 /nfs/dbraw/zinc/27/80/60/564278060.db2.gz ISYCWVUQDMZRDE-LBPRGKRZSA-N 1 0 394.244 2.817 20 0 GFADRO C[C@@H](CCNS(=O)(=O)c1cccc(Br)c1)[NH+]1CCCCC1 ZINC000541393156 564278304 /nfs/dbraw/zinc/27/83/04/564278304.db2.gz LJHLCYLHZRLKAS-ZDUSSCGKSA-N 1 0 375.332 2.992 20 0 GFADRO Cc1cc(NC(=O)CC[NH2+]C[C@@H](C)Oc2ccccc2Br)no1 ZINC000565416801 564280208 /nfs/dbraw/zinc/28/02/08/564280208.db2.gz HZKGBFYQONJGCJ-GFCCVEGCSA-N 1 0 382.258 3.131 20 0 GFADRO CC[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2cc(OC)cc(C(F)(F)F)c2)C1 ZINC000451147291 564280230 /nfs/dbraw/zinc/28/02/30/564280230.db2.gz NFZNKKWSJWUORI-LBPRGKRZSA-N 1 0 380.432 2.724 20 0 GFADRO Cc1cc(C(F)(F)F)ccc1S(=O)(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000509181989 564285137 /nfs/dbraw/zinc/28/51/37/564285137.db2.gz DNPDKOQVGIDOPT-AWEZNQCLSA-N 1 0 382.473 2.729 20 0 GFADRO Cc1cc(C(=O)N2C[C@H](C[NH3+])C3(C2)CCOCC3)c(C)cc1Br ZINC000565538401 564285660 /nfs/dbraw/zinc/28/56/60/564285660.db2.gz JFGBDVGWIOSGNE-AWEZNQCLSA-N 1 0 381.314 2.893 20 0 GFADRO COC[C@]1(C)CC[N@H+](C[C@@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000451200577 564286096 /nfs/dbraw/zinc/28/60/96/564286096.db2.gz HYTKOZAMLKDLSO-GDBMZVCRSA-N 1 0 376.266 2.686 20 0 GFADRO Cc1ccc(Br)cc1CC(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000451200789 564286643 /nfs/dbraw/zinc/28/66/43/564286643.db2.gz TXNPOEDTJAPKGW-OAHLLOKOSA-N 1 0 383.330 2.917 20 0 GFADRO COC(=O)C[C@@H]1CC[C@H]([NH2+]CCNC(=O)c2cccc(Br)c2)[C@@H]1C ZINC000474706383 564286661 /nfs/dbraw/zinc/28/66/61/564286661.db2.gz AZPTYDVOQDNLBW-WWGRRREGSA-N 1 0 397.313 2.746 20 0 GFADRO Cc1nc(CNC(=O)N2CCC3(CC[NH2+]CC3)CC2)sc1Br ZINC000565588757 564287596 /nfs/dbraw/zinc/28/75/96/564287596.db2.gz PMJQKYOXPYCYJS-UHFFFAOYSA-N 1 0 387.347 2.889 20 0 GFADRO C[NH+]1CCC(CCNC(=O)c2cc(I)ccc2F)CC1 ZINC000474764237 564288251 /nfs/dbraw/zinc/28/82/51/564288251.db2.gz RDGJMQHYKMCUTM-UHFFFAOYSA-N 1 0 390.240 2.892 20 0 GFADRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)NCc1nc2c(cccc2Br)[nH]1 ZINC000565643628 564288998 /nfs/dbraw/zinc/28/89/98/564288998.db2.gz VCRUSEIJUHOQBA-GFCCVEGCSA-N 1 0 394.317 2.999 20 0 GFADRO NC(=O)[C@@H]1CCC[C@H]([NH2+]Cc2c(F)ccc(I)c2F)C1 ZINC000474821501 564290564 /nfs/dbraw/zinc/29/05/64/564290564.db2.gz LDGWZSLRXHVGIS-BDAKNGLRSA-N 1 0 394.203 2.703 20 0 GFADRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+]Cc1c(F)ccc(I)c1F ZINC000474877273 564292077 /nfs/dbraw/zinc/29/20/77/564292077.db2.gz GAOPGUHFCZQSMR-PRHODGIISA-N 1 0 394.203 2.574 20 0 GFADRO C[C@H](CCc1ccc(I)cc1)[NH2+][C@H]1CC(=O)N(C2CC2)C1 ZINC000474871663 564292253 /nfs/dbraw/zinc/29/22/53/564292253.db2.gz YVLQTZIHGCDLOA-DOMZBBRYSA-N 1 0 398.288 2.965 20 0 GFADRO CC[NH+](CC)CCO[C@H]1CCN(S(=O)(=O)Cc2c(F)cccc2Cl)C1 ZINC000451266831 564292619 /nfs/dbraw/zinc/29/26/19/564292619.db2.gz HDHANJGWULTPGA-AWEZNQCLSA-N 1 0 392.924 2.742 20 0 GFADRO O=C(c1c[nH]c2ccc(Br)cc21)N1CC[NH+](C2CCOCC2)CC1 ZINC000474901239 564292791 /nfs/dbraw/zinc/29/27/91/564292791.db2.gz ZPAMEUYYWQLUMB-UHFFFAOYSA-N 1 0 392.297 2.867 20 0 GFADRO C[C@@H]1CN(Cc2ccc(OC(F)(F)F)c(Br)c2)CC[N@@H+]1CCO ZINC000474933697 564293513 /nfs/dbraw/zinc/29/35/13/564293513.db2.gz NXHISPJZCRZLSM-LLVKDONJSA-N 1 0 397.235 2.846 20 0 GFADRO C[C@@](O)(C[NH2+]C[C@@H](CO)Cc1cccc(OC(F)(F)F)c1)C(F)(F)F ZINC000565775316 564296027 /nfs/dbraw/zinc/29/60/27/564296027.db2.gz NBSGAELYZFLTPN-WCQYABFASA-N 1 0 375.309 2.639 20 0 GFADRO OCC[C@H]([NH2+]C[C@@H](O)COCc1ccco1)c1ccccc1Br ZINC000541951721 564296486 /nfs/dbraw/zinc/29/64/86/564296486.db2.gz JCRZIYHHTKRYAT-DYVFJYSZSA-N 1 0 384.270 2.633 20 0 GFADRO CN(C(=O)NCc1nc2c(cccc2Br)[nH]1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000565818698 564296758 /nfs/dbraw/zinc/29/67/58/564296758.db2.gz AAWJQXGWOFOFTI-GFCCVEGCSA-N 1 0 392.301 2.704 20 0 GFADRO C[C@H]1C[C@@H](NS(=O)(=O)Cc2ccc(Br)c(F)c2)C[N@@H+]1C1CC1 ZINC000451299104 564297656 /nfs/dbraw/zinc/29/76/56/564297656.db2.gz RDSOIKJJQXNDCH-CMPLNLGQSA-N 1 0 391.306 2.633 20 0 GFADRO C[C@@H](O)C[NH+]1CCN(Cc2ccc(Br)cc2C(F)(F)F)CC1 ZINC000475089269 564299245 /nfs/dbraw/zinc/29/92/45/564299245.db2.gz BJLRJHDBPSEXQJ-LLVKDONJSA-N 1 0 381.236 2.966 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+]C1(CC(N)=O)CCC1 ZINC000475100933 564299722 /nfs/dbraw/zinc/29/97/22/564299722.db2.gz LSHJUSHIFGZXBA-UHFFFAOYSA-N 1 0 377.286 2.831 20 0 GFADRO COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000509461853 564300542 /nfs/dbraw/zinc/30/05/42/564300542.db2.gz FNQAGTQUMSDEIE-GXSJLCMTSA-N 1 0 395.308 2.541 20 0 GFADRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1Cc1noc(Cc2ccc(Br)cc2)n1 ZINC000509460657 564300714 /nfs/dbraw/zinc/30/07/14/564300714.db2.gz AVOGMQVDFCHDCY-QWHCGFSZSA-N 1 0 379.302 2.947 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@H](NS(=O)(=O)c2cccc(Br)c2F)C1 ZINC000542141689 564302461 /nfs/dbraw/zinc/30/24/61/564302461.db2.gz RPYJMSFWSCYATE-WDEREUQCSA-N 1 0 379.295 2.739 20 0 GFADRO CC[NH+](CC)CCS(=O)(=O)NCC1(c2ccc(Cl)cc2)CCOCC1 ZINC000565977304 564304342 /nfs/dbraw/zinc/30/43/42/564304342.db2.gz HZAAJSMYOUQEBM-UHFFFAOYSA-N 1 0 388.961 2.649 20 0 GFADRO O=C(NC[C@@H]1C[NH2+]CCO1)c1ccc(-c2ccc(Br)cc2)s1 ZINC000566093794 564308314 /nfs/dbraw/zinc/30/83/14/564308314.db2.gz VTCHUMFWPUKJQQ-ZDUSSCGKSA-N 1 0 381.295 2.896 20 0 GFADRO CO[C@H](C[NH3+])C(=O)Nc1ncc(Cc2ccc(Br)c(C)c2)s1 ZINC000566096849 564309466 /nfs/dbraw/zinc/30/94/66/564309466.db2.gz IUHNLJBDFCHWRS-CYBMUJFWSA-N 1 0 384.299 2.717 20 0 GFADRO CC(C)(C[NH2+]CC1(O)CCS(=O)(=O)CC1)c1ccc(Cl)c(Cl)c1 ZINC000566110979 564310544 /nfs/dbraw/zinc/31/05/44/564310544.db2.gz VDICGMAMGLSAIQ-UHFFFAOYSA-N 1 0 380.337 2.800 20 0 GFADRO O=C(CC[NH2+]C[C@H](O)COc1cccc(Br)c1)N1CCCCCC1 ZINC000566109194 564310954 /nfs/dbraw/zinc/31/09/54/564310954.db2.gz LCQIDVHWAKJHFP-INIZCTEOSA-N 1 0 399.329 2.571 20 0 GFADRO C[S@@](=O)Cc1ccc(C[NH2+]C[C@@H](O)COCc2ccc(Cl)cc2)cc1 ZINC000566129466 564311395 /nfs/dbraw/zinc/31/13/95/564311395.db2.gz DRAFIUKUZIOKDB-KBMIEXCESA-N 1 0 381.925 2.886 20 0 GFADRO C[C@H](C[NH+]1CCCCC1)NS(=O)(=O)Cc1ccc(Br)c(F)c1 ZINC000451436839 564313079 /nfs/dbraw/zinc/31/30/79/564313079.db2.gz XCZVFMQBHFVOOK-GFCCVEGCSA-N 1 0 393.322 2.882 20 0 GFADRO Cc1cc(Br)cn2c(CN3CC[NH+](CCOC(C)C)CC3)cnc12 ZINC000542466174 564314538 /nfs/dbraw/zinc/31/45/38/564314538.db2.gz HUAZMHKJDDXOTD-UHFFFAOYSA-N 1 0 395.345 2.948 20 0 GFADRO C[C@H](C[C@H](C)[NH3+])NC(=O)NC1CCN(Cc2ccc(Br)cc2)CC1 ZINC000566192879 564315723 /nfs/dbraw/zinc/31/57/23/564315723.db2.gz RWZVKLVJVKSUPC-UONOGXRCSA-N 1 0 397.361 2.839 20 0 GFADRO CO[C@H]1C[C@@H]([NH2+]CCS(=O)(=O)c2ccc(Br)cc2)C1(C)C ZINC000451475897 564317761 /nfs/dbraw/zinc/31/77/61/564317761.db2.gz DLWBJXCXJYYDRY-KGLIPLIRSA-N 1 0 376.316 2.626 20 0 GFADRO C[C@H]1C[C@H](C(=O)Nc2ccc(CN3CC[NH+](C)CC3)c(Br)c2)CO1 ZINC000475755110 564318266 /nfs/dbraw/zinc/31/82/66/564318266.db2.gz GKPXYDXYAAXZOZ-ZFWWWQNUSA-N 1 0 396.329 2.560 20 0 GFADRO Cc1cc(F)c(Br)cc1S(=O)(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000566224390 564318421 /nfs/dbraw/zinc/31/84/21/564318421.db2.gz NGHIGOAANQDUBS-LLVKDONJSA-N 1 0 379.295 2.707 20 0 GFADRO CO[C@@H]1C[C@H]([NH2+]CC(=O)N(C)Cc2cc(Br)cs2)C1(C)C ZINC000451495316 564318877 /nfs/dbraw/zinc/31/88/77/564318877.db2.gz LMIRYJJNDASKLH-QWHCGFSZSA-N 1 0 375.332 2.872 20 0 GFADRO COC(=O)c1ccc(C[NH2+]CCC(=O)Nc2ccc(Br)cc2C)[nH]1 ZINC000542693440 564321476 /nfs/dbraw/zinc/32/14/76/564321476.db2.gz AREMXEZPJLHWCV-UHFFFAOYSA-N 1 0 394.269 2.991 20 0 GFADRO Cc1cc(C(=O)N2CCN(CC[NH+]3CCCC3)CC2)c(C)cc1Br ZINC000510001650 564321830 /nfs/dbraw/zinc/32/18/30/564321830.db2.gz GVVXRZDULBLQFT-UHFFFAOYSA-N 1 0 394.357 2.920 20 0 GFADRO COC(=O)C[C@H]1CSCC[N@@H+]1C[C@@H](O)COc1ccc(Cl)cc1Cl ZINC000475878906 564323332 /nfs/dbraw/zinc/32/33/32/564323332.db2.gz GQJYMIIKQZLBNM-QWHCGFSZSA-N 1 0 394.320 2.714 20 0 GFADRO COC(=O)C[C@@H]1CSCC[N@@H+]1C[C@@H](O)COc1ccc(Cl)cc1Cl ZINC000475878901 564323349 /nfs/dbraw/zinc/32/33/49/564323349.db2.gz GQJYMIIKQZLBNM-CHWSQXEVSA-N 1 0 394.320 2.714 20 0 GFADRO COC(=O)C[C@H]1CSCC[N@@H+]1C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000475880546 564323553 /nfs/dbraw/zinc/32/35/53/564323553.db2.gz LOHCFGGVZIRXSK-NWDGAFQWSA-N 1 0 394.320 2.714 20 0 GFADRO CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@@H](C(=O)OC)c1ccc(Br)cc1 ZINC000475902746 564323964 /nfs/dbraw/zinc/32/39/64/564323964.db2.gz DUAPQWZMIKAHMY-BXUZGUMPSA-N 1 0 385.302 2.946 20 0 GFADRO OC[C@@H]([C@H]([NH2+]C[C@H](O)COc1ccc(Br)cc1)C1CC1)C1CC1 ZINC000451597652 564330060 /nfs/dbraw/zinc/33/00/60/564330060.db2.gz UYNLHZNOKXQBCG-CGTJXYLNSA-N 1 0 384.314 2.576 20 0 GFADRO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)N[C@@H](CCO)c1ccccc1Br ZINC000542894455 564330438 /nfs/dbraw/zinc/33/04/38/564330438.db2.gz PVCIGKWNFWDTTJ-DYVFJYSZSA-N 1 0 396.329 2.656 20 0 GFADRO O=C(Nc1ccn(-c2ccc(Cl)cc2Cl)n1)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000566608565 564334115 /nfs/dbraw/zinc/33/41/15/564334115.db2.gz UKOYZJXRXIDHHA-NWDGAFQWSA-N 1 0 380.279 3.252 20 0 GFADRO OC[C@]1([C@@H]([NH2+]Cc2cc3c(c(Br)c2)OCO3)C2CC2)CCCO1 ZINC000566609562 564334122 /nfs/dbraw/zinc/33/41/22/564334122.db2.gz YLSBWXOJXDGTMR-IRXDYDNUSA-N 1 0 384.270 2.588 20 0 GFADRO CN(C)C(=O)CC[NH+]1CCN(c2cnc3cc(Cl)c(Cl)cc3n2)CC1 ZINC000542975504 564334251 /nfs/dbraw/zinc/33/42/51/564334251.db2.gz HCFNROTUKUYXHL-UHFFFAOYSA-N 1 0 382.295 2.537 20 0 GFADRO CSC1(CNC(=O)C(=O)Nc2cc(C)c(Cl)c(C)c2)CC[NH+](C)CC1 ZINC000566649744 564336040 /nfs/dbraw/zinc/33/60/40/564336040.db2.gz KOLBOLKJFXMPGB-UHFFFAOYSA-N 1 0 383.945 2.839 20 0 GFADRO COc1cc(C[NH2+][C@H](C)C[C@@H](C)O)cc(I)c1OC ZINC000543060495 564336122 /nfs/dbraw/zinc/33/61/22/564336122.db2.gz IYEWTYCWCJPASP-NXEZZACHSA-N 1 0 379.238 2.557 20 0 GFADRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1S(=O)(=O)c1ccc(F)cc1Br ZINC000510504334 564336617 /nfs/dbraw/zinc/33/66/17/564336617.db2.gz YAQKFWZEEHSZNI-DGCLKSJQSA-N 1 0 391.306 2.836 20 0 GFADRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1S(=O)(=O)c1ccc(Br)s1 ZINC000510503459 564336743 /nfs/dbraw/zinc/33/67/43/564336743.db2.gz UEWLEAIIQYPLPL-MNOVXSKESA-N 1 0 379.345 2.758 20 0 GFADRO CC(=O)c1cccc(OC[C@H](O)C[NH2+]Cc2ccc(O)c(Br)c2)c1 ZINC000566673574 564338487 /nfs/dbraw/zinc/33/84/87/564338487.db2.gz REKQKAXCOSYOBB-OAHLLOKOSA-N 1 0 394.265 2.887 20 0 GFADRO Cc1cc(Br)cc(C)c1N1CCC[C@H]([N@H+](C)CCOCCO)C1=O ZINC000510633142 564341611 /nfs/dbraw/zinc/34/16/11/564341611.db2.gz JNVODKGRNALOFP-INIZCTEOSA-N 1 0 399.329 2.502 20 0 GFADRO COC[C@]1(CNC(=O)N[C@H]2C[C@H](c3ccc(Br)cc3)C2)CCC[NH2+]1 ZINC000566787115 564343102 /nfs/dbraw/zinc/34/31/02/564343102.db2.gz SNNWULIMCFDMCL-QGPMSJSTSA-N 1 0 396.329 2.763 20 0 GFADRO CC[N@@H+]1C[C@H](C)N(C(=O)c2c(C)nc3ccc(Br)cn32)C[C@@H]1C ZINC000476525904 564343290 /nfs/dbraw/zinc/34/32/90/564343290.db2.gz ROSMUYIEIDGPAA-RYUDHWBXSA-N 1 0 379.302 2.960 20 0 GFADRO CC[N@@H+]1C[C@H](C)N(C(=O)c2c(C)nc3ccc(Br)cn32)C[C@H]1C ZINC000476525902 564343562 /nfs/dbraw/zinc/34/35/62/564343562.db2.gz ROSMUYIEIDGPAA-NEPJUHHUSA-N 1 0 379.302 2.960 20 0 GFADRO O=C(CN[C@@H](c1ccccc1)c1ccccc1Br)N1CC[NH2+]CC1 ZINC000566791079 564344106 /nfs/dbraw/zinc/34/41/06/564344106.db2.gz OYPIVOVVGMNQBN-IBGZPJMESA-N 1 0 388.309 2.560 20 0 GFADRO CS(=O)(=O)N[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(OCC(F)(F)F)cc1 ZINC000510760481 564345643 /nfs/dbraw/zinc/34/56/43/564345643.db2.gz CFPCRDANMSCGHU-CABCVRRESA-N 1 0 380.432 2.578 20 0 GFADRO COC(=O)c1cc(Cl)ccc1S(=O)(=O)N[C@H](C)C[NH+]1CCCCCC1 ZINC000476583341 564346916 /nfs/dbraw/zinc/34/69/16/564346916.db2.gz URYBVHUSLHURFO-CYBMUJFWSA-N 1 0 388.917 2.669 20 0 GFADRO COC(=O)c1ccc(S(=O)(=O)N[C@@H](C)C[NH+]2CCCCCC2)cc1Cl ZINC000476605846 564347512 /nfs/dbraw/zinc/34/75/12/564347512.db2.gz NWWJENXSDJLFBC-ZDUSSCGKSA-N 1 0 388.917 2.669 20 0 GFADRO CC[N@@H+]1CCC[C@H](CNS(=O)(=O)c2cccc(Br)c2F)C1 ZINC000543394053 564348335 /nfs/dbraw/zinc/34/83/35/564348335.db2.gz NMWAFTDBEREBSZ-LLVKDONJSA-N 1 0 379.295 2.598 20 0 GFADRO O[C@H](C[NH2+][C@@H]1CCO[C@@]2(CCOC2)C1)COc1cc(Cl)ccc1Cl ZINC000566909953 564349122 /nfs/dbraw/zinc/34/91/22/564349122.db2.gz UQDLMCUWKWBNJH-CPUCHLNUSA-N 1 0 376.280 2.661 20 0 GFADRO CC[NH+]1CCC(CNC(=O)NCc2cc(Br)ccc2OC)CC1 ZINC000566925583 564349563 /nfs/dbraw/zinc/34/95/63/564349563.db2.gz FYLJROIRXBJQKM-UHFFFAOYSA-N 1 0 384.318 2.989 20 0 GFADRO C[C@H]([NH2+][C@@H](C)c1cccc(S(N)(=O)=O)c1)C(=O)Nc1ccc(Cl)cc1 ZINC000510968085 564351597 /nfs/dbraw/zinc/35/15/97/564351597.db2.gz MGOXTWQOHWHXSD-RYUDHWBXSA-N 1 0 381.885 2.665 20 0 GFADRO CCC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1ccc(OCC(F)(F)F)cc1 ZINC000510984522 564352795 /nfs/dbraw/zinc/35/27/95/564352795.db2.gz NXQCTOWPZUUUNQ-ZDUSSCGKSA-N 1 0 380.432 2.780 20 0 GFADRO CCC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1cc(Br)cc(OC)c1 ZINC000511004554 564353197 /nfs/dbraw/zinc/35/31/97/564353197.db2.gz XCAUXNPESNBMIL-ZDUSSCGKSA-N 1 0 391.331 2.610 20 0 GFADRO C[C@H]([NH2+][C@@H](C)c1cnn(C)c1)C(=O)N(C)Cc1ccc(Br)cc1 ZINC000543506287 564353291 /nfs/dbraw/zinc/35/32/91/564353291.db2.gz ZANRYKFSDSCCJF-STQMWFEESA-N 1 0 379.302 2.880 20 0 GFADRO Cc1ccc(CC(=O)NCCC[NH2+]Cc2cccnc2)cc1Br ZINC000567047189 564355647 /nfs/dbraw/zinc/35/56/47/564355647.db2.gz OUPXECOUPLTELG-UHFFFAOYSA-N 1 0 376.298 2.991 20 0 GFADRO CC[C@@H](C)[N@H+](C)CCNC(=O)NCc1cn2cc(Br)cc(C)c2n1 ZINC000543698896 564360800 /nfs/dbraw/zinc/36/08/00/564360800.db2.gz DWOJDDBMEIDIJR-CYBMUJFWSA-N 1 0 396.333 2.935 20 0 GFADRO C[NH+](C)CCCC(C)(C)NS(=O)(=O)Cc1cccc(Br)c1 ZINC000451880888 564361287 /nfs/dbraw/zinc/36/12/87/564361287.db2.gz ALJKTYHKIRTARP-UHFFFAOYSA-N 1 0 377.348 2.989 20 0 GFADRO C[NH+](C)CCOC1CCN(C(=O)Cc2ccc(Br)s2)CC1 ZINC000511196210 564361559 /nfs/dbraw/zinc/36/15/59/564361559.db2.gz CZCCXNNFUGVFKE-UHFFFAOYSA-N 1 0 375.332 2.622 20 0 GFADRO C[NH+](C)CCCC(C)(C)NS(=O)(=O)c1cccc(Br)c1F ZINC000451882579 564362274 /nfs/dbraw/zinc/36/22/74/564362274.db2.gz CZZPGCVTHXPUNK-UHFFFAOYSA-N 1 0 381.311 2.987 20 0 GFADRO O=C(CCCc1ccc(Cl)cc1)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000511209423 564362373 /nfs/dbraw/zinc/36/23/73/564362373.db2.gz VHVTXIVAGYJFPS-HNNXBMFYSA-N 1 0 377.838 2.615 20 0 GFADRO CCCN(CC[NH+]1CCCC1)S(=O)(=O)c1ccccc1Br ZINC000511238569 564364188 /nfs/dbraw/zinc/36/41/88/564364188.db2.gz DUAJQCYTBFAYCH-UHFFFAOYSA-N 1 0 375.332 2.946 20 0 GFADRO CC[NH+]1CCC(NC(=O)N[C@@H](CCO)c2ccccc2Br)CC1 ZINC000543821415 564364954 /nfs/dbraw/zinc/36/49/54/564364954.db2.gz LULAQVXRRZZTNX-INIZCTEOSA-N 1 0 384.318 2.656 20 0 GFADRO CC[C@H](C)[N@H+](C)CCNC(=O)N[C@H](CCO)c1ccccc1Br ZINC000543824016 564365163 /nfs/dbraw/zinc/36/51/63/564365163.db2.gz WUOKUPWTICKOBQ-XJKSGUPXSA-N 1 0 386.334 2.902 20 0 GFADRO [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)c1cc(=O)c2cc(Br)ccc2[nH]1 ZINC000567353937 564367813 /nfs/dbraw/zinc/36/78/13/564367813.db2.gz OWPVCOZGWFXYEN-KCHILNHWSA-N 1 0 390.281 2.536 20 0 GFADRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)c1ccc(C(F)(F)F)nc1 ZINC000543908854 564369014 /nfs/dbraw/zinc/36/90/14/564369014.db2.gz ODRALNRQYZQUAN-FRRDWIJNSA-N 1 0 379.448 2.745 20 0 GFADRO COc1cc(Br)ccc1CCC(=O)N1CC[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000543940898 564369468 /nfs/dbraw/zinc/36/94/68/564369468.db2.gz BCBHYCNVFDJJNB-BBRMVZONSA-N 1 0 381.314 2.943 20 0 GFADRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)c1ccc(F)c(I)c1 ZINC000477235641 564369492 /nfs/dbraw/zinc/36/94/92/564369492.db2.gz DHJVYGCODNVSHB-NSHDSACASA-N 1 0 390.240 2.844 20 0 GFADRO C[C@@H](CC[NH3+])NC(=O)c1ccc(Br)cc1I ZINC000477314831 564373246 /nfs/dbraw/zinc/37/32/46/564373246.db2.gz PPQRJKXNBKROFP-ZETCQYMHSA-N 1 0 397.054 2.521 20 0 GFADRO COCC[C@@H](Cc1cccc(Br)c1)C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000477325966 564373295 /nfs/dbraw/zinc/37/32/95/564373295.db2.gz NQSPQJYGUOWJQU-HNNXBMFYSA-N 1 0 383.330 2.855 20 0 GFADRO COCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](Cc2cc(F)ccc2Br)C1 ZINC000511498361 564373322 /nfs/dbraw/zinc/37/33/22/564373322.db2.gz YNKNZWKYRUSRMZ-OLZOCXBDSA-N 1 0 387.293 2.951 20 0 GFADRO CC(C)[N@H+](C)CCCNC(=O)C(=O)Nc1cccc(Br)c1Cl ZINC000567509411 564374414 /nfs/dbraw/zinc/37/44/14/564374414.db2.gz DTDWKJSNJMXSQG-UHFFFAOYSA-N 1 0 390.709 2.888 20 0 GFADRO CC[N@@H+]1CCN(C[C@@H](O)COc2ccc(Cl)cc2Br)[C@H](C)C1 ZINC000511584702 564376161 /nfs/dbraw/zinc/37/61/61/564376161.db2.gz IXINHSJWWJOURQ-TZMCWYRMSA-N 1 0 391.737 2.868 20 0 GFADRO CN(C)S(=O)(=O)n1ccnc1C[NH2+][C@H]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000567557917 564376485 /nfs/dbraw/zinc/37/64/85/564376485.db2.gz RORMEEVOLCKAMZ-ZBFHGGJFSA-N 1 0 382.917 2.617 20 0 GFADRO CC(C)CN(C(=O)C[NH2+][C@](C)(CO)c1ccc(Br)cc1)C1CC1 ZINC000511611747 564377756 /nfs/dbraw/zinc/37/77/56/564377756.db2.gz SPEWWRZSDRZBDB-GOSISDBHSA-N 1 0 383.330 2.893 20 0 GFADRO O[C@@H](C[NH2+]CC1(CF)CCOCC1)COc1cccc(Br)c1 ZINC000567696851 564383489 /nfs/dbraw/zinc/38/34/89/564383489.db2.gz JFLZUNNHEVKDIR-AWEZNQCLSA-N 1 0 376.266 2.545 20 0 GFADRO Cc1nc(CN2C[C@@H](F)C[C@H]2C[NH2+]Cc2ncc(CN(C)C)s2)cs1 ZINC000511927555 564386270 /nfs/dbraw/zinc/38/62/70/564386270.db2.gz RHIBESMFPWQBHN-ZFWWWQNUSA-N 1 0 383.562 2.672 20 0 GFADRO Cc1nccn1CCCN(C)C(=O)[C@](C)([NH3+])c1ccc(Br)cc1 ZINC000567731424 564386558 /nfs/dbraw/zinc/38/65/58/564386558.db2.gz VTESVORMQLLFCC-QGZVFWFLSA-N 1 0 379.302 2.677 20 0 GFADRO C[C@H]([NH2+]CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl)[C@@H]1CCC[C@@H](C)C1 ZINC000452059793 564387692 /nfs/dbraw/zinc/38/76/92/564387692.db2.gz KXMXXQQCPOGEJM-FRRDWIJNSA-N 1 0 387.933 2.730 20 0 GFADRO C[C@@H](c1ccccc1Br)[N@@H+]1CCC[C@@](O)(C(=O)N2CCCC2)C1 ZINC000452093150 564390772 /nfs/dbraw/zinc/39/07/72/564390772.db2.gz IMBSTMREGZAQNM-KSSFIOAISA-N 1 0 381.314 2.959 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)CCc2nc3cc(Br)ccc3s2)CCCO1 ZINC000567843289 564391508 /nfs/dbraw/zinc/39/15/08/564391508.db2.gz UQQZNJDBZHMSES-LBPRGKRZSA-N 1 0 398.326 2.568 20 0 GFADRO Cc1c(S(=O)(=O)N2CCCC[C@@H]2CC[NH3+])cnn1-c1ccc(Cl)cc1 ZINC000567861779 564392685 /nfs/dbraw/zinc/39/26/85/564392685.db2.gz XTEMOYPXZLWBDL-OAHLLOKOSA-N 1 0 382.917 2.726 20 0 GFADRO Cc1c(Br)cccc1C[N@@H+]1CCC[C@](O)(C(=O)N2CCCC2)C1 ZINC000452102509 564392861 /nfs/dbraw/zinc/39/28/61/564392861.db2.gz VFJOHKYODQAUGS-GOSISDBHSA-N 1 0 381.314 2.707 20 0 GFADRO CCCOc1c(Br)cc(CN2CCO[C@@H](C[NH3+])C2)cc1OCC ZINC000478063809 564394166 /nfs/dbraw/zinc/39/41/66/564394166.db2.gz UFAGZWNKAMFCPF-AWEZNQCLSA-N 1 0 387.318 2.796 20 0 GFADRO CN(Cc1cc(Br)cs1)C(=O)CN1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000567891292 564394962 /nfs/dbraw/zinc/39/49/62/564394962.db2.gz XKJYFSFSDPLSAE-TUKIKUTGSA-N 1 0 386.359 2.528 20 0 GFADRO C[C@H]1CC[N@H+](C)CCN1C(=O)c1cc(Br)cnc1OCC1CC1 ZINC000512254846 564396226 /nfs/dbraw/zinc/39/62/26/564396226.db2.gz YTAPKTYYOJIGTB-LBPRGKRZSA-N 1 0 382.302 2.799 20 0 GFADRO C[C@@H]1CN(C(=O)c2ccccc2-n2cc(Br)cn2)C[C@H](C)[N@H+]1C ZINC000452149689 564397181 /nfs/dbraw/zinc/39/71/81/564397181.db2.gz HJCKSQSWFCQUBQ-BETUJISGSA-N 1 0 377.286 2.799 20 0 GFADRO CCC[C@@]1([NH2+]C[C@@H](O)COc2cc(F)cc(Br)c2)CCOC1 ZINC000512287885 564397170 /nfs/dbraw/zinc/39/71/70/564397170.db2.gz WIATWNXOVHEPRG-GDBMZVCRSA-N 1 0 376.266 2.877 20 0 GFADRO C[C@H](Sc1ccccc1C(=O)NC[C@@H](c1cccs1)[NH+](C)C)C(N)=O ZINC000512314566 564398053 /nfs/dbraw/zinc/39/80/53/564398053.db2.gz HLWSHLPQIHCQGQ-JSGCOSHPSA-N 1 0 377.535 2.747 20 0 GFADRO C[C@H]1CN(C(=O)[C@H]2COc3ccc(Br)cc32)CC[N@@H+](C2CC2)C1 ZINC000452173856 564398242 /nfs/dbraw/zinc/39/82/42/564398242.db2.gz ODXLBFQPQJGHTA-WBMJQRKESA-N 1 0 379.298 2.868 20 0 GFADRO C[C@@H]1CN(C(=O)[C@@H]2COc3ccc(Br)cc32)CC[N@@H+](C2CC2)C1 ZINC000452173853 564398388 /nfs/dbraw/zinc/39/83/88/564398388.db2.gz ODXLBFQPQJGHTA-BLLLJJGKSA-N 1 0 379.298 2.868 20 0 GFADRO CN1C(=O)C[C@@H](C(=O)NCC(C)(C)[NH+](C)C)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000478263067 564398629 /nfs/dbraw/zinc/39/86/29/564398629.db2.gz RXOKAXNNFWRDSA-MLGOLLRUSA-N 1 0 386.323 2.969 20 0 GFADRO CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+][C@H](CCO)c2ccccc2Br)C1 ZINC000512350200 564398793 /nfs/dbraw/zinc/39/87/93/564398793.db2.gz JOIHGBYXXHQNPV-WOSRLPQWSA-N 1 0 390.343 2.818 20 0 GFADRO Cn1cc(Br)c(C(=O)NC[C@H](C[NH+](C)C)c2ccc(Cl)cc2)n1 ZINC000568039088 564401505 /nfs/dbraw/zinc/40/15/05/564401505.db2.gz XMUFBBBGTZJGPG-GFCCVEGCSA-N 1 0 399.720 2.911 20 0 GFADRO COc1ccc(C[NH2+]CCC(=O)Nc2ccccn2)c(Br)c1O ZINC000544839692 564401652 /nfs/dbraw/zinc/40/16/52/564401652.db2.gz ASHZRKJSZVVHCS-UHFFFAOYSA-N 1 0 380.242 2.677 20 0 GFADRO COc1c[nH+]ccc1N1CCN(C(=O)Cc2ccccc2Br)CC1 ZINC000478449080 564403357 /nfs/dbraw/zinc/40/33/57/564403357.db2.gz TURZFKIZXJHSGM-UHFFFAOYSA-N 1 0 390.281 2.744 20 0 GFADRO N[C@@](C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1)(c1cccc(Cl)c1)C(F)(F)F ZINC000568084888 564404559 /nfs/dbraw/zinc/40/45/59/564404559.db2.gz WBIBSEKSVWEJCF-JKSUJKDBSA-N 1 0 375.822 2.658 20 0 GFADRO C[C@H](C[NH2+]C[C@H]1CCN(S(=O)(=O)c2cccs2)C1)CC1CCOCC1 ZINC000512552797 564404991 /nfs/dbraw/zinc/40/49/91/564404991.db2.gz UTQYGGLAVJZXSS-DOTOQJQBSA-N 1 0 386.583 2.801 20 0 GFADRO O=C(C1CC1)N1CCC([NH2+]Cc2cn3ccc(Br)cc3n2)CC1 ZINC000568143431 564406247 /nfs/dbraw/zinc/40/62/47/564406247.db2.gz RJLQHLVUFFIBIO-UHFFFAOYSA-N 1 0 377.286 2.587 20 0 GFADRO C[NH+](C)CCOc1cnccc1CNC(=O)c1csc(Br)c1 ZINC000568135907 564406264 /nfs/dbraw/zinc/40/62/64/564406264.db2.gz BJCKKBSZABROMB-UHFFFAOYSA-N 1 0 384.299 2.776 20 0 GFADRO CC[C@H](C(=O)N1CCNC(=O)[C@@H]1c1ccc(Br)cc1)[NH+](CC)CC ZINC000478540385 564406427 /nfs/dbraw/zinc/40/64/27/564406427.db2.gz RVJRRTYMFIPTPN-CVEARBPZSA-N 1 0 396.329 2.569 20 0 GFADRO O=C(NC[C@@H]1CCC[N@H+]1CCCO)c1cc2c(Br)cccc2cn1 ZINC000452345929 564406647 /nfs/dbraw/zinc/40/66/47/564406647.db2.gz STSGXXPMYAASIL-AWEZNQCLSA-N 1 0 392.297 2.574 20 0 GFADRO Cc1cc(Br)c(C(=O)NC[C@@H]2CCC[N@@H+]2CCCO)cc1Cl ZINC000452358116 564407712 /nfs/dbraw/zinc/40/77/12/564407712.db2.gz FZAAUIRSAHIGGC-LBPRGKRZSA-N 1 0 389.721 2.988 20 0 GFADRO Cc1cc(F)c(NC(=O)N[C@@H](C)C[NH+](C)C)c(I)c1 ZINC000478572891 564408358 /nfs/dbraw/zinc/40/83/58/564408358.db2.gz OIRKXBVXVWJFRG-VIFPVBQESA-N 1 0 379.217 2.810 20 0 GFADRO C[N@@H+]1CC[C@H](c2nc(Cc3cccc(F)c3I)no2)C1 ZINC000545146467 564409826 /nfs/dbraw/zinc/40/98/26/564409826.db2.gz GUQMFMWNFUDORS-JTQLQIEISA-N 1 0 387.196 2.823 20 0 GFADRO COC[C@@]1(CNC(=O)Nc2cccc3c(Br)ccnc23)CCC[NH2+]1 ZINC000568226182 564409997 /nfs/dbraw/zinc/40/99/97/564409997.db2.gz APEZZZXEZMKRCT-KRWDZBQOSA-N 1 0 393.285 2.887 20 0 GFADRO O=C(NC[C@@H]1CCCC[N@H+]1CCO)c1cc(Br)cc2cccnc21 ZINC000452376036 564410500 /nfs/dbraw/zinc/41/05/00/564410500.db2.gz KEJXTUWYEQRHCN-HNNXBMFYSA-N 1 0 392.297 2.574 20 0 GFADRO CC[C@H](Cc1cccc(Br)c1)C(=O)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000452386342 564411376 /nfs/dbraw/zinc/41/13/76/564411376.db2.gz WYAGFGAKAYWZIN-SJLPKXTDSA-N 1 0 397.357 2.981 20 0 GFADRO O[C@@H](COc1ccc(Br)cc1)C[N@@H+]1CC[C@H](COC(F)F)C1 ZINC000512805070 564411915 /nfs/dbraw/zinc/41/19/15/564411915.db2.gz ALUWFCRZSFJLMG-WCQYABFASA-N 1 0 380.229 2.750 20 0 GFADRO O=C(CCCc1ccccc1Br)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000452386301 564412034 /nfs/dbraw/zinc/41/20/34/564412034.db2.gz WSPWZJJUCCMNQG-MRXNPFEDSA-N 1 0 383.330 2.735 20 0 GFADRO C[C@H](CNC(=O)NCc1cc(Br)cc2c1OCC2)[N@H+](C)C1CC1 ZINC000545194381 564412093 /nfs/dbraw/zinc/41/20/93/564412093.db2.gz VHFBSQHFTWYICF-LLVKDONJSA-N 1 0 382.302 2.666 20 0 GFADRO O=C(CCC(=O)c1cc(Cl)sc1Cl)NC[C@H]1CCCC[N@H+]1CCO ZINC000452392201 564412948 /nfs/dbraw/zinc/41/29/48/564412948.db2.gz QVBIBBUQYYXEGL-LLVKDONJSA-N 1 0 393.336 2.981 20 0 GFADRO O=C(NCCC[NH2+]C1CC1)Nc1ccc(I)cc1F ZINC000568282327 564413285 /nfs/dbraw/zinc/41/32/85/564413285.db2.gz WYOYWFOGOLZUOE-UHFFFAOYSA-N 1 0 377.201 2.694 20 0 GFADRO CC1(NC(=O)Nc2ccc(I)cc2F)CC[NH2+]CC1 ZINC000568282188 564413338 /nfs/dbraw/zinc/41/33/38/564413338.db2.gz QRXIYHYWIVGKLB-UHFFFAOYSA-N 1 0 377.201 2.694 20 0 GFADRO Cc1ccc(C[NH2+]C[C@H]2CCCC[C@H]2NS(C)(=O)=O)cc1Br ZINC000512860588 564414448 /nfs/dbraw/zinc/41/44/48/564414448.db2.gz JOVTYNUUVDDFEN-GDBMZVCRSA-N 1 0 389.359 2.955 20 0 GFADRO CS(=O)(=O)N[C@H]1CCCC[C@@H]1C[NH2+]Cc1ccc(OCC(F)F)cc1 ZINC000512861407 564414575 /nfs/dbraw/zinc/41/45/75/564414575.db2.gz OPXZJYOGBWEMOZ-ZBFHGGJFSA-N 1 0 376.469 2.528 20 0 GFADRO Cc1nc(C)c(S(=O)(=O)NC[C@H](C2CC2)[N@H+](C)Cc2ccccc2)s1 ZINC000478761278 564414716 /nfs/dbraw/zinc/41/47/16/564414716.db2.gz BNLPMKPCNQHUDV-QGZVFWFLSA-N 1 0 379.551 2.949 20 0 GFADRO CCC[N@@H+]1CC[C@@H](CNCc2cn(-c3ccccc3Br)nn2)C1 ZINC000568332543 564414726 /nfs/dbraw/zinc/41/47/26/564414726.db2.gz CWIPAMBEPRUHQW-AWEZNQCLSA-N 1 0 378.318 2.851 20 0 GFADRO Fc1ccc(Br)cc1C[NH2+]C[C@@H](N1CCOCC1)C(F)(F)F ZINC000512977323 564416798 /nfs/dbraw/zinc/41/67/98/564416798.db2.gz KBGNVIAYKIUHBC-CYBMUJFWSA-N 1 0 385.199 2.941 20 0 GFADRO CS[C@H]1CN(C(=O)COc2cccc(Br)c2)C[C@H]1[NH+]1CCCC1 ZINC000545332573 564418051 /nfs/dbraw/zinc/41/80/51/564418051.db2.gz WAOQUMJBEGNEEL-CVEARBPZSA-N 1 0 399.354 2.866 20 0 GFADRO Cc1ccc(CN(C[C@H]2CCCO2)C(=O)N[C@H]2CC[NH2+]C2)c(Br)c1 ZINC000568415968 564418313 /nfs/dbraw/zinc/41/83/13/564418313.db2.gz JFUHLYSZVPGWSC-JKSUJKDBSA-N 1 0 396.329 2.810 20 0 GFADRO CCc1nnc(NC(=O)[C@H](C)[C@H](C)[NH2+]Cc2ccc([S@](C)=O)cc2)s1 ZINC000513096500 564419527 /nfs/dbraw/zinc/41/95/27/564419527.db2.gz VGFIOCKLLFUKGD-FIRCGALFSA-N 1 0 380.539 2.591 20 0 GFADRO CCOC(=O)C[C@@H](NC(=O)[C@H]1CC[NH2+][C@@H](C)C1)c1ccc(Br)cc1 ZINC000478971141 564420640 /nfs/dbraw/zinc/42/06/40/564420640.db2.gz YSKMJDQNUWJZQI-DUVNUKRYSA-N 1 0 397.313 2.948 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)C(=O)NC[C@@H]1CCCC[N@H+]1CC ZINC000479013327 564421377 /nfs/dbraw/zinc/42/13/77/564421377.db2.gz LFHQDQCSENJFTL-HNNXBMFYSA-N 1 0 396.329 2.941 20 0 GFADRO C[C@H]1[NH2+]CC[C@H]1C(=O)NCc1cc(Br)ccc1Br ZINC000568508909 564422250 /nfs/dbraw/zinc/42/22/50/564422250.db2.gz SEBYMEKCTULRQP-LDYMZIIASA-N 1 0 376.092 2.826 20 0 GFADRO CCCN(CC[S@](=O)c1cc(Cl)ccc1Cl)[C@@H]1CC(=O)N(C)C1=O ZINC000568535685 564423148 /nfs/dbraw/zinc/42/31/48/564423148.db2.gz HVSZHLRZPZWQRH-OZAJXLCCSA-N 1 0 391.320 2.570 20 0 GFADRO CCCN(CC[S@@](=O)c1cc(Cl)ccc1Cl)[C@H]1CC(=O)N(C)C1=O ZINC000568535686 564423291 /nfs/dbraw/zinc/42/32/91/564423291.db2.gz HVSZHLRZPZWQRH-RKNYENMMSA-N 1 0 391.320 2.570 20 0 GFADRO CCCNC(=O)CC[NH2+][C@@H](C)c1ccc(F)c(I)c1 ZINC000453067782 564445765 /nfs/dbraw/zinc/44/57/65/564445765.db2.gz MLYUJUKSVXERKH-JTQLQIEISA-N 1 0 378.229 2.997 20 0 GFADRO Cn1nc(-c2ccc(Cl)s2)cc1NC(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000568606667 564427100 /nfs/dbraw/zinc/42/71/00/564427100.db2.gz RKDXKUANPFXJEO-JTQLQIEISA-N 1 0 375.832 2.921 20 0 GFADRO Cc1cc(Br)cc(Cl)c1C(=O)NC[C@H]1CCC[N@@H+]1CCCO ZINC000452787134 564431054 /nfs/dbraw/zinc/43/10/54/564431054.db2.gz ZCMBJMRVBYUXQK-CYBMUJFWSA-N 1 0 389.721 2.988 20 0 GFADRO C[NH+](C)Cc1cc(-c2noc(Cn3cc(Br)cn3)n2)ccc1F ZINC000545747808 564431573 /nfs/dbraw/zinc/43/15/73/564431573.db2.gz MVCPNDJNSDKVIM-UHFFFAOYSA-N 1 0 380.221 2.945 20 0 GFADRO CC(=O)N1CCC[N@H+](C[C@H]2CCCN(C(=O)c3sccc3Cl)C2)CC1 ZINC000452829767 564433356 /nfs/dbraw/zinc/43/33/56/564433356.db2.gz YUMNQUZXKBFUNU-OAHLLOKOSA-N 1 0 383.945 2.808 20 0 GFADRO C[C@@H](C[NH+]1CCOCC1)C(=O)N1CC[C@H](c2cccc(Br)c2)C1 ZINC000452847576 564434360 /nfs/dbraw/zinc/43/43/60/564434360.db2.gz NKFPCMLIIGFVJZ-HOCLYGCPSA-N 1 0 381.314 2.733 20 0 GFADRO CCN(CC)S(=O)(=O)CC[NH2+][C@H](C)Cc1ccc(Br)cc1 ZINC000479282596 564434811 /nfs/dbraw/zinc/43/48/11/564434811.db2.gz OAFDRXRQLHAGKH-CYBMUJFWSA-N 1 0 377.348 2.641 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)C(=O)NCC[NH+]1CCC(C)CC1 ZINC000479278729 564434863 /nfs/dbraw/zinc/43/48/63/564434863.db2.gz FTSLIWSQQYQVAQ-UHFFFAOYSA-N 1 0 396.329 2.798 20 0 GFADRO CC(C)[NH+]1CCN(C(=O)[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)CC1 ZINC000513736831 564436826 /nfs/dbraw/zinc/43/68/26/564436826.db2.gz MSZDJAZCOCJDKR-AWEZNQCLSA-N 1 0 384.307 2.899 20 0 GFADRO COC(=O)[C@H]1CC[N@H+](CCCOc2cccc(I)c2)C1 ZINC000513718607 564436876 /nfs/dbraw/zinc/43/68/76/564436876.db2.gz ZUTHNPYNOKKDTG-LBPRGKRZSA-N 1 0 389.233 2.555 20 0 GFADRO Cc1cc(C)c(S(N)(=O)=O)cc1[C@@H](C)[NH2+]C[C@H](c1cccs1)N(C)C ZINC000479364492 564437058 /nfs/dbraw/zinc/43/70/58/564437058.db2.gz SCLPZEQPYOJXCN-GDBMZVCRSA-N 1 0 381.567 2.966 20 0 GFADRO Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)[NH2+]C[C@H](c1cccs1)N(C)C ZINC000479364493 564437639 /nfs/dbraw/zinc/43/76/39/564437639.db2.gz SCLPZEQPYOJXCN-GOEBONIOSA-N 1 0 381.567 2.966 20 0 GFADRO CC(=O)N1CCN(CC[NH2+][C@H]2CC(C)(C)c3ccc(Br)cc32)CC1 ZINC000479366260 564437647 /nfs/dbraw/zinc/43/76/47/564437647.db2.gz XESFZNZGBSDUDQ-SFHVURJKSA-N 1 0 394.357 2.925 20 0 GFADRO C[C@@H](c1ccccc1Br)[N@H+](C)C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000513897080 564441906 /nfs/dbraw/zinc/44/19/06/564441906.db2.gz KCWCHPMQIDMNGH-STQMWFEESA-N 1 0 375.332 2.723 20 0 GFADRO Cc1c(C(=O)N2C[C@H]3CC[N@@H+](C)[C@H]3C2)cnn1-c1cccc(Br)c1 ZINC000453026397 564442921 /nfs/dbraw/zinc/44/29/21/564442921.db2.gz FXALLQUFSPHOAA-DYVFJYSZSA-N 1 0 389.297 2.719 20 0 GFADRO C[C@@]1(CNC(=O)Nc2ccc3nccnc3c2Br)CCC[NH2+]C1 ZINC000568972768 564443469 /nfs/dbraw/zinc/44/34/69/564443469.db2.gz VCSVMFDCEULVSU-MRXNPFEDSA-N 1 0 378.274 2.904 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(C(=O)CSCc3ccc(Br)cc3F)C[C@@H]21 ZINC000453039997 564443861 /nfs/dbraw/zinc/44/38/61/564443861.db2.gz RXOKAYWKKJKAAX-ABAIWWIYSA-N 1 0 387.318 2.984 20 0 GFADRO C[C@@H](NC(=O)c1csc(-c2ccc(Cl)cc2)c1)C(=O)NCC[NH+](C)C ZINC000568999794 564444684 /nfs/dbraw/zinc/44/46/84/564444684.db2.gz GAOZGLNFUQYJQJ-GFCCVEGCSA-N 1 0 379.913 2.865 20 0 GFADRO CC(C)[N@@H+]1CCc2nc(CNc3nnc(C4CCOCC4)s3)sc2C1 ZINC000453054054 564444909 /nfs/dbraw/zinc/44/49/09/564444909.db2.gz WDEMEGUBVMMZAW-UHFFFAOYSA-N 1 0 379.555 3.267 20 0 GFADRO Cc1[nH]c2ccc(Br)cc2c1CC(=O)N1C[C@H]2CC[N@@H+](C)[C@H]2C1 ZINC000453044860 564444988 /nfs/dbraw/zinc/44/49/88/564444988.db2.gz YXNSDBYKQGENSH-PXAZEXFGSA-N 1 0 376.298 2.944 20 0 GFADRO CCc1[nH]nc(NCc2nc3c(s2)C[N@@H+](C(C)C)CC3)c1Br ZINC000453050565 564445108 /nfs/dbraw/zinc/44/51/08/564445108.db2.gz VNKMIACCJYRBET-UHFFFAOYSA-N 1 0 384.347 3.570 20 0 GFADRO C[C@H](C[NH2+][C@@H](C)c1ccc(F)c(I)c1)N1CCOCC1 ZINC000453061072 564445378 /nfs/dbraw/zinc/44/53/78/564445378.db2.gz CTPJEFBCVVELAY-NEPJUHHUSA-N 1 0 392.256 2.802 20 0 GFADRO CC(C)NC(=O)CC[NH2+][C@H](C)c1ccc(F)c(I)c1 ZINC000453091607 564446481 /nfs/dbraw/zinc/44/64/81/564446481.db2.gz RQAUMZYFQCXBRS-SNVBAGLBSA-N 1 0 378.229 2.996 20 0 GFADRO CN(Cc1cc(Br)cs1)C(=O)CN1CC[NH+](C2CCC2)CC1 ZINC000514181165 564447047 /nfs/dbraw/zinc/44/70/47/564447047.db2.gz ZHEZEXIWGUYRSF-UHFFFAOYSA-N 1 0 386.359 2.639 20 0 GFADRO CC[C@@H](Cc1ccccc1Br)[N@H+](C)CCC(=O)N1CCN(C)CC1 ZINC000514225345 564447854 /nfs/dbraw/zinc/44/78/54/564447854.db2.gz NEJYBXQYHVSPOU-KRWDZBQOSA-N 1 0 396.373 2.866 20 0 GFADRO COc1cc(Br)cc(S(=O)(=O)NCC[NH+]2CCCCCC2)c1 ZINC000546170824 564447990 /nfs/dbraw/zinc/44/79/90/564447990.db2.gz QZPBTVFMZJYYHN-UHFFFAOYSA-N 1 0 391.331 2.612 20 0 GFADRO C[C@@H](OC[C@H](O)C[NH2+]CCC(C)(C)S(C)(=O)=O)c1ccc(Cl)cc1 ZINC000569111323 564449400 /nfs/dbraw/zinc/44/94/00/564449400.db2.gz QBHDIYWWUXRKHX-CZUORRHYSA-N 1 0 377.934 2.581 20 0 GFADRO CC[C@H](COCC(F)(F)F)[NH2+][C@@H](C)c1cc(S(N)(=O)=O)c(C)cc1C ZINC000453258132 564450565 /nfs/dbraw/zinc/45/05/65/564450565.db2.gz ODLNRRQPBYNPAM-QWHCGFSZSA-N 1 0 382.448 2.959 20 0 GFADRO OC[C@@H](Cc1ccccc1)[NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000514604028 564450505 /nfs/dbraw/zinc/45/05/05/564450505.db2.gz SVJOIOOYTKNGLI-IAGOWNOFSA-N 1 0 398.272 2.521 20 0 GFADRO CN(C(=O)c1ccn(-c2ccc(Br)cc2)n1)[C@H]1C[NH+]2CCC1CC2 ZINC000569131641 564450770 /nfs/dbraw/zinc/45/07/70/564450770.db2.gz YHNOXZNAEYAVMT-KRWDZBQOSA-N 1 0 389.297 2.801 20 0 GFADRO COC[C@@](C)(O)CC[NH2+][C@@H](C)c1nnn(-c2cccc(Br)c2)c1C ZINC000453262242 564450761 /nfs/dbraw/zinc/45/07/61/564450761.db2.gz SNMWWEASNLJCDQ-SJCJKPOMSA-N 1 0 397.317 2.776 20 0 GFADRO O=S(=O)(Cc1cc(Cl)ccc1Br)NC[C@H]1CCC[NH2+]C1 ZINC000514603271 564451067 /nfs/dbraw/zinc/45/10/67/564451067.db2.gz QCFASBPGXHYKDO-JTQLQIEISA-N 1 0 381.723 2.522 20 0 GFADRO CC[C@@H](CNS(C)(=O)=O)[NH2+][C@@H](CC)c1cc(F)cc(Br)c1 ZINC000453276198 564451812 /nfs/dbraw/zinc/45/18/12/564451812.db2.gz FYJDKSSQTBOXJG-KBPBESRZSA-N 1 0 381.311 2.957 20 0 GFADRO C[C@H]([NH2+]C[C@H]1CCCCN1CCO)c1ccccc1I ZINC000453276342 564452219 /nfs/dbraw/zinc/45/22/19/564452219.db2.gz XQULYNZKVBWJPI-UONOGXRCSA-N 1 0 388.293 2.789 20 0 GFADRO C[C@H](C[C@H](C)[NH3+])NC(=O)NCc1ccc(I)cc1Cl ZINC000514671667 564453314 /nfs/dbraw/zinc/45/33/14/564453314.db2.gz YQTMNTJZCZANGE-DTWKUNHWSA-N 1 0 395.672 2.870 20 0 GFADRO C[C@H]([NH2+]C1CCN(C(=O)C2CC2)CC1)C(=O)Nc1cccc(Br)c1 ZINC000514707600 564454788 /nfs/dbraw/zinc/45/47/88/564454788.db2.gz RNYJPZXFFBWOCN-LBPRGKRZSA-N 1 0 394.313 2.767 20 0 GFADRO CC[C@H]1C[N@H+](C)CCN1C(=O)CCNC(=O)Nc1ccc(Br)cc1 ZINC000514686209 564454806 /nfs/dbraw/zinc/45/48/06/564454806.db2.gz UVUDANJOKNALDI-HNNXBMFYSA-N 1 0 397.317 2.513 20 0 GFADRO C[C@@H]([NH2+]C[C@H](CO)Cc1cc(Br)ccc1F)c1ccc(=O)[nH]n1 ZINC000453387902 564455868 /nfs/dbraw/zinc/45/58/68/564455868.db2.gz WEYMGIAFTSKPAM-GHMZBOCLSA-N 1 0 384.249 2.586 20 0 GFADRO CCn1c(-c2cc(Br)cn2C)nnc1N(C)[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000453463119 564456993 /nfs/dbraw/zinc/45/69/93/564456993.db2.gz HMQYFPJQILFUJF-CQSZACIVSA-N 1 0 395.349 2.985 20 0 GFADRO C[C@H]([NH2+]C[C@H](N1CCOCC1)C(F)(F)F)c1cncc(Br)c1 ZINC000514798596 564458115 /nfs/dbraw/zinc/45/81/15/564458115.db2.gz JQBHBMKTWMUABP-GWCFXTLKSA-N 1 0 382.224 2.758 20 0 GFADRO C[N@@H+]1CC[C@@](O)(CNCc2csc(-c3cccc(Br)c3)n2)C1 ZINC000546562629 564458914 /nfs/dbraw/zinc/45/89/14/564458914.db2.gz BTJMJLMNWMVXOQ-MRXNPFEDSA-N 1 0 382.327 2.729 20 0 GFADRO O[C@H](C[NH2+]C1CCN(CC(F)(F)F)CC1)COCc1ccc(Cl)cc1 ZINC000569332222 564459428 /nfs/dbraw/zinc/45/94/28/564459428.db2.gz GZYYHIIBTVAXNW-MRXNPFEDSA-N 1 0 380.838 2.834 20 0 GFADRO C[N@H+](CCCO)C1CCN(c2ncnc3cc(F)c(Br)cc32)CC1 ZINC000546574214 564459543 /nfs/dbraw/zinc/45/95/43/564459543.db2.gz LOJLMTBUDOGZJL-UHFFFAOYSA-N 1 0 397.292 2.814 20 0 GFADRO O=S(=O)(CC[NH2+]C[C@@H](O)Cc1cccc(Cl)c1)c1ccc(Cl)cc1 ZINC000514856350 564459978 /nfs/dbraw/zinc/45/99/78/564459978.db2.gz YGTZHIXIVKPTJM-INIZCTEOSA-N 1 0 388.316 2.960 20 0 GFADRO Cc1ncc(Br)cc1NC(=O)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000453650099 564462012 /nfs/dbraw/zinc/46/20/12/564462012.db2.gz WGBRNHWTQOGARH-CQSZACIVSA-N 1 0 399.333 2.574 20 0 GFADRO C[NH+](C)[C@@]1(CNC(=O)Cc2ccc(F)c(Br)c2)CCSC1 ZINC000480264585 564467029 /nfs/dbraw/zinc/46/70/29/564467029.db2.gz WANIBPFPKFKTNX-OAHLLOKOSA-N 1 0 375.307 2.684 20 0 GFADRO O=S(=O)(CC[NH2+]CCc1cccc(O)c1)c1cccc(Br)c1 ZINC000515055135 564467744 /nfs/dbraw/zinc/46/77/44/564467744.db2.gz RSOPLFVQQFEYRL-UHFFFAOYSA-N 1 0 384.295 2.761 20 0 GFADRO O[C@H](C[NH2+]C[C@@H]1CCCCN1C1CC1)COc1cccc(Br)c1 ZINC000515054865 564468030 /nfs/dbraw/zinc/46/80/30/564468030.db2.gz KCKCRJFQGWMVQL-DLBZAZTESA-N 1 0 383.330 2.795 20 0 GFADRO O=C1[C@H](N2CC[NH2+]C[C@@H]2c2cccc(Cl)c2)CCCN1CC(F)(F)F ZINC000569577719 564469916 /nfs/dbraw/zinc/46/99/16/564469916.db2.gz ZHBQLQOTIJOFDT-HUUCEWRRSA-N 1 0 375.822 2.840 20 0 GFADRO CCN(CCC[NH+](C)C)S(=O)(=O)c1cc(Br)c(F)cc1C ZINC000480365937 564470454 /nfs/dbraw/zinc/47/04/54/564470454.db2.gz WVJHXJYVCNPCIB-UHFFFAOYSA-N 1 0 381.311 2.859 20 0 GFADRO CC(C)[NH2+]C1(CO)CCN([C@@H](C)C(=O)Nc2ccc(Br)cc2)CC1 ZINC000569618151 564471115 /nfs/dbraw/zinc/47/11/15/564471115.db2.gz CLBCFOGMCBLVGS-AWEZNQCLSA-N 1 0 398.345 2.601 20 0 GFADRO O=S(=O)(c1csc(-c2ccccc2)n1)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000569604279 564471224 /nfs/dbraw/zinc/47/12/24/564471224.db2.gz OGPVKUIJZWBRFY-HZPDHXFCSA-N 1 0 377.535 2.820 20 0 GFADRO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N[C@@H]1CCSc2ccc(Cl)cc21 ZINC000515239684 564473472 /nfs/dbraw/zinc/47/34/72/564473472.db2.gz MGCRNPMBYUBUDH-IUODEOHRSA-N 1 0 383.945 2.840 20 0 GFADRO COc1ccc(C(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)c(Br)c1 ZINC000515265873 564473877 /nfs/dbraw/zinc/47/38/77/564473877.db2.gz QWDIFULKOYVZEI-ZDUSSCGKSA-N 1 0 385.302 2.688 20 0 GFADRO COC(=O)c1cn([C@H]2CC[N@H+](CCOc3cc(Cl)ccc3Cl)C2)nn1 ZINC000546935496 564474016 /nfs/dbraw/zinc/47/40/16/564474016.db2.gz OCOCEIYAEAIBDA-LBPRGKRZSA-N 1 0 385.251 2.697 20 0 GFADRO Brc1cccc(Cc2noc(CN3CCC4(CC[NH2+]4)CC3)n2)c1 ZINC000569711530 564475100 /nfs/dbraw/zinc/47/51/00/564475100.db2.gz IBTOHPYXBOEQJX-UHFFFAOYSA-N 1 0 377.286 2.751 20 0 GFADRO O[C@H](C[NH2+][C@H]1CCO[C@@]2(CCOC2)C1)COc1c(Cl)cccc1Cl ZINC000515347660 564475618 /nfs/dbraw/zinc/47/56/18/564475618.db2.gz LTCNIODNIHIKNE-AHIWAGSCSA-N 1 0 376.280 2.661 20 0 GFADRO COC[C@H](C)OC[C@H](O)C[NH2+][C@@H]1CCN(c2ccc(Cl)cc2Cl)C1 ZINC000569837705 564480098 /nfs/dbraw/zinc/48/00/98/564480098.db2.gz VULLKIOZVOOWDK-NWANDNLSSA-N 1 0 377.312 2.574 20 0 GFADRO CC[NH+](CC)C[C@H](C)NS(=O)(=O)c1cc(Br)c(C)cc1OC ZINC000480685655 564482685 /nfs/dbraw/zinc/48/26/85/564482685.db2.gz BABHBLGECOFIDQ-LBPRGKRZSA-N 1 0 393.347 2.775 20 0 GFADRO C[N@@H+]1CC[C@](O)(CNC(=O)N[C@H](c2ccsc2)c2ccc(Cl)cc2)C1 ZINC000547298313 564483632 /nfs/dbraw/zinc/48/36/32/564483632.db2.gz MJGDLJOOURCKBD-WMZOPIPTSA-N 1 0 379.913 2.857 20 0 GFADRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NCc1cc(Br)cc2c1OCC2 ZINC000547315251 564484439 /nfs/dbraw/zinc/48/44/39/564484439.db2.gz HEZKTUIUTXPNGF-ZBEGNZNMSA-N 1 0 394.313 2.666 20 0 GFADRO C[C@@H](CC(=O)NC[C@]1(O)C[NH+]2CCC1CC2)c1ccc(F)c(Br)c1 ZINC000569942043 564484658 /nfs/dbraw/zinc/48/46/58/564484658.db2.gz YCFKENLWQTZXFQ-SGTLLEGYSA-N 1 0 399.304 2.655 20 0 GFADRO O=S(=O)(NCC[NH2+][C@@H]1CCC[C@H]([C@@H]2CCOC2)C1)c1cccc(Cl)c1 ZINC000547333673 564485327 /nfs/dbraw/zinc/48/53/27/564485327.db2.gz CLMMNALITPVVAI-ZMSDIMECSA-N 1 0 386.945 2.803 20 0 GFADRO CC(C)(CNS(=O)(=O)c1cc(Br)ccc1F)C[NH+]1CCCC1 ZINC000480753411 564486896 /nfs/dbraw/zinc/48/68/96/564486896.db2.gz BZSFRAKVNCLQHE-UHFFFAOYSA-N 1 0 393.322 2.989 20 0 GFADRO Cc1c(C[N@H+](C)C[C@H](O)COc2cc(F)cc(Br)c2)cnn1C ZINC000570075888 564490338 /nfs/dbraw/zinc/49/03/38/564490338.db2.gz DFRJXWBVJSYCGN-HNNXBMFYSA-N 1 0 386.265 2.502 20 0 GFADRO O=C(Cc1cccc(I)c1)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000516058471 564492107 /nfs/dbraw/zinc/49/21/07/564492107.db2.gz BQVNASWVNSFLLE-GJZGRUSLSA-N 1 0 398.288 2.682 20 0 GFADRO CCS[C@H]1CCCC[N@H+](CC(=O)N2CCN(Cc3cccs3)CC2)C1 ZINC000480887026 564493907 /nfs/dbraw/zinc/49/39/07/564493907.db2.gz WNDGAWUCEGBWHQ-KRWDZBQOSA-N 1 0 381.611 3.000 20 0 GFADRO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)[C@@H](C)C(=O)NCC(F)(F)F)C2)s1 ZINC000516185999 564496150 /nfs/dbraw/zinc/49/61/50/564496150.db2.gz UKMZCSCNKSGFPN-KBPBESRZSA-N 1 0 377.476 2.877 20 0 GFADRO OC[C@@H](C[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Cl)Cc1cccnc1 ZINC000570211877 564496589 /nfs/dbraw/zinc/49/65/89/564496589.db2.gz JACKEQNMCDEERC-GDBMZVCRSA-N 1 0 385.291 2.569 20 0 GFADRO Cc1cc(C[C@H](C)[NH2+]C[C@H](O)COc2cc(F)cc(Br)c2)[nH]n1 ZINC000516277062 564498580 /nfs/dbraw/zinc/49/85/80/564498580.db2.gz UCXSBJCULSRWNS-BONVTDFDSA-N 1 0 386.265 2.580 20 0 GFADRO COC(=O)C[C@H](C)N1CCN(C(=O)c2nc3cc(Cl)ccc3s2)CC1 ZINC000454216721 564502972 /nfs/dbraw/zinc/50/29/72/564502972.db2.gz HPBDOXONUYNUSA-NSHDSACASA-N 1 0 381.885 2.659 20 0 GFADRO O=C(NC[C@H]1CCCC[N@H+]1CCO)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000454216597 564503009 /nfs/dbraw/zinc/50/30/09/564503009.db2.gz RHFICCAAPALFLT-GFCCVEGCSA-N 1 0 377.819 2.910 20 0 GFADRO O=C(NCc1cccc(CN2CCOCC2)c1)c1cc(Br)c[nH]1 ZINC000516524950 564504101 /nfs/dbraw/zinc/50/41/01/564504101.db2.gz ZOPIANRKMRCZMR-UHFFFAOYSA-N 1 0 378.270 2.539 20 0 GFADRO C[NH+](C)[C@]1(CNC(=O)CCOc2ccccc2Br)CCSC1 ZINC000481192044 564505220 /nfs/dbraw/zinc/50/52/20/564505220.db2.gz PYNCQRVDJNBZGG-INIZCTEOSA-N 1 0 387.343 2.772 20 0 GFADRO C[C@@H](CNC(=O)NC[C@H]1CCN(c2cccc(Br)c2)C1)[NH+](C)C ZINC000454367367 564508152 /nfs/dbraw/zinc/50/81/52/564508152.db2.gz BPBOFGTXSWIRGZ-UONOGXRCSA-N 1 0 383.334 2.525 20 0 GFADRO CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)c1ccc(Cl)c(NS(C)(=O)=O)c1 ZINC000570503948 564508822 /nfs/dbraw/zinc/50/88/22/564508822.db2.gz JIECEUUBOOJJGB-AWEZNQCLSA-N 1 0 387.933 2.658 20 0 GFADRO C[NH+](C)[C@]1(CNS(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)CCSC1 ZINC000481340813 564509884 /nfs/dbraw/zinc/50/98/84/564509884.db2.gz OKCJIFJLNPLKCS-ZDUSSCGKSA-N 1 0 386.436 2.560 20 0 GFADRO OC[C@@H]([NH2+]C[C@H]1CN(c2ccccc2)CCO1)c1cccc(Br)c1 ZINC000570525187 564510559 /nfs/dbraw/zinc/51/05/59/564510559.db2.gz BBNOTHQVIARMBX-RBUKOAKNSA-N 1 0 391.309 2.978 20 0 GFADRO CC[C@@H](C)[N@H+](C)CCNC(=O)NCCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000454465410 564510585 /nfs/dbraw/zinc/51/05/85/564510585.db2.gz KUWHZRMXYQDMSP-CQSZACIVSA-N 1 0 389.949 2.533 20 0 GFADRO O=S1(=O)CC[C@H]([NH2+][C@@H]2CCO[C@@H]2C2CC2)c2cc(Br)ccc21 ZINC000547827876 564512437 /nfs/dbraw/zinc/51/24/37/564512437.db2.gz UNIICDIAIGEDKY-SQWLQELKSA-N 1 0 386.311 2.825 20 0 GFADRO C[C@H](CN1CCCCC1)[NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000570675714 564515797 /nfs/dbraw/zinc/51/57/97/564515797.db2.gz SQEFDRLACPVYSG-CZUORRHYSA-N 1 0 389.309 2.792 20 0 GFADRO O=C(NCC[C@H]1CCC[NH2+]1)N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000570667107 564515941 /nfs/dbraw/zinc/51/59/41/564515941.db2.gz IEKKARGRUWBFAO-OCCSQVGLSA-N 1 0 385.295 2.540 20 0 GFADRO C[NH+]1CCN(C[C@@H](NS(=O)(=O)c2sccc2Cl)c2ccccc2)CC1 ZINC000570670124 564516358 /nfs/dbraw/zinc/51/63/58/564516358.db2.gz NBQNOCBTZUIKGT-MRXNPFEDSA-N 1 0 399.969 2.669 20 0 GFADRO Cc1cc(N2CC[C@@H]([NH2+]C[C@H](O)CCOC(C)C)C2=O)ccc1Br ZINC000516922395 564516761 /nfs/dbraw/zinc/51/67/61/564516761.db2.gz ZMTOFGCVVJOCTQ-NVXWUHKLSA-N 1 0 399.329 2.628 20 0 GFADRO CN(CCC[NH3+])S(=O)(=O)c1csc(-c2cccc(Br)c2)n1 ZINC000570682104 564517218 /nfs/dbraw/zinc/51/72/18/564517218.db2.gz UGPIKWSTVAKQAH-UHFFFAOYSA-N 1 0 390.328 2.542 20 0 GFADRO [NH3+]C[C@H]1CC[C@@H](C(=O)N2CCCC[C@@H]2Cc2cccc(Br)c2)O1 ZINC000570716533 564518083 /nfs/dbraw/zinc/51/80/83/564518083.db2.gz KPRVXSQPNXPWAJ-ZACQAIPSSA-N 1 0 381.314 2.879 20 0 GFADRO CO[C@@H](c1ccc(Br)cc1)[C@H](C)NC(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000454759107 564521679 /nfs/dbraw/zinc/52/16/79/564521679.db2.gz UNLAPLNMSPNSRK-GUDXXQAFSA-N 1 0 396.329 2.871 20 0 GFADRO C[C@@H](CNC(=O)Nc1cc(Br)cnc1OCC(F)(F)F)[NH+](C)C ZINC000454791579 564522286 /nfs/dbraw/zinc/52/22/86/564522286.db2.gz SGSRSFSFOVVSNL-QMMMGPOBSA-N 1 0 399.211 2.857 20 0 GFADRO CC(C)[C@H](C(=O)N(C)Cc1cn(-c2cccc(Br)c2)nn1)[NH+](C)C ZINC000481766434 564523396 /nfs/dbraw/zinc/52/33/96/564523396.db2.gz IIZUQOCGTXWOFV-MRXNPFEDSA-N 1 0 394.317 2.574 20 0 GFADRO CC[N@H+](C)C[C@@H](O)CN1CCC[C@@H]1c1ccc(I)cc1 ZINC000570825017 564523786 /nfs/dbraw/zinc/52/37/86/564523786.db2.gz VDUQUVBASQJTGF-HZPDHXFCSA-N 1 0 388.293 2.741 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000517142379 564525192 /nfs/dbraw/zinc/52/51/92/564525192.db2.gz QEGKMCLKPBBSAF-UHFFFAOYSA-N 1 0 394.313 2.783 20 0 GFADRO CC(C)(O)C[NH+]1CCN(C(=O)CCCOc2cccc(Br)c2)CC1 ZINC000517321038 564530735 /nfs/dbraw/zinc/53/07/35/564530735.db2.gz QNYHBXBDRLSKMJ-UHFFFAOYSA-N 1 0 399.329 2.523 20 0 GFADRO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)Nc1nnc(CC(F)(F)F)s1 ZINC000454990249 564531284 /nfs/dbraw/zinc/53/12/84/564531284.db2.gz YBUYLAGTKZIRPX-NSHDSACASA-N 1 0 379.452 3.275 20 0 GFADRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CNC(=O)c2ccc(Cl)cc2Cl)C1 ZINC000548106087 564531310 /nfs/dbraw/zinc/53/13/10/564531310.db2.gz WKUKNNWHSRKUDO-LRDDRELGSA-N 1 0 384.307 2.666 20 0 GFADRO C[NH+](C)CCCOC1CCN(C(=O)c2[nH]nc(C3CC3)c2Br)CC1 ZINC000482004050 564531468 /nfs/dbraw/zinc/53/14/68/564531468.db2.gz HDSUPFIUFZUMMC-UHFFFAOYSA-N 1 0 399.333 2.623 20 0 GFADRO Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)NC(=O)C[N@H+](C)[C@H]1CCSC1 ZINC000482055857 564532455 /nfs/dbraw/zinc/53/24/55/564532455.db2.gz ZUHXPMSVHXDHBS-MFKMUULPSA-N 1 0 378.464 2.677 20 0 GFADRO O=S1(=O)CCO[C@H](C[NH2+]Cc2csc3c2cccc3Br)C1 ZINC000517395275 564533159 /nfs/dbraw/zinc/53/31/59/564533159.db2.gz DWXFJOOJXBDMFL-LLVKDONJSA-N 1 0 390.324 2.567 20 0 GFADRO CN(C)C(=O)C[C@@H]([NH2+]CC(=O)NCc1ccc(Cl)s1)c1ccccc1 ZINC000571073101 564534558 /nfs/dbraw/zinc/53/45/58/564534558.db2.gz WHIUSHHECVWFOW-OAHLLOKOSA-N 1 0 379.913 2.827 20 0 GFADRO CC[N@H+]1C[C@@H](C)N(C(=O)c2ccc(F)cc2I)[C@@H](C)C1 ZINC000571121768 564537404 /nfs/dbraw/zinc/53/74/04/564537404.db2.gz TUZTWHJUKQQKAA-PHIMTYICSA-N 1 0 390.240 2.985 20 0 GFADRO C[C@H](c1ccc(Br)cc1)N1CC[NH+](CC[C@@H]2CCNC2=O)CC1 ZINC000571222611 564542012 /nfs/dbraw/zinc/54/20/12/564542012.db2.gz UDYZQZIXLWFNJY-ZBFHGGJFSA-N 1 0 380.330 2.654 20 0 GFADRO Cc1nc(-c2ccc(CNC(=O)NCCN3CCOC[C@@H]3C)s2)cs1 ZINC000517885791 564543039 /nfs/dbraw/zinc/54/30/39/564543039.db2.gz KQAZFHRVDBLCHA-LBPRGKRZSA-N 1 0 380.539 2.700 20 0 GFADRO CCOC(=O)CC[C@H](O)C[NH2+]C[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000571277141 564543904 /nfs/dbraw/zinc/54/39/04/564543904.db2.gz MPXQYCIEVCQLPV-YOEHRIQHSA-N 1 0 399.329 2.569 20 0 GFADRO O=C(CSCc1ccc(Br)cc1F)N[C@H]1C[NH2+]CCC1(F)F ZINC000518183371 564547554 /nfs/dbraw/zinc/54/75/54/564547554.db2.gz DHKIRSCLCRGHEF-LBPRGKRZSA-N 1 0 397.260 2.935 20 0 GFADRO Cc1ccc(O[C@H](C)C(=O)N[C@H]2C[NH2+]CCC2(F)F)c(Br)c1 ZINC000571402043 564550224 /nfs/dbraw/zinc/55/02/24/564550224.db2.gz ARDNSZAUUJZIJD-MFKMUULPSA-N 1 0 377.229 2.638 20 0 GFADRO COc1ccc(C[NH2+]C[C@H](O)COc2ccc(Br)cc2)cc1O ZINC000571433052 564551102 /nfs/dbraw/zinc/55/11/02/564551102.db2.gz PAKPTOKKRFBIMO-AWEZNQCLSA-N 1 0 382.254 2.693 20 0 GFADRO CCC[NH2+][C@H](C)C(=O)NC1CCN(Cc2ccc(Br)cc2)CC1 ZINC000518371539 564551362 /nfs/dbraw/zinc/55/13/62/564551362.db2.gz YQFTYHQJFVQOMY-CQSZACIVSA-N 1 0 382.346 2.918 20 0 GFADRO O=C(N[C@@H](c1cncc(Br)c1)C1CC1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000518345876 564551490 /nfs/dbraw/zinc/55/14/90/564551490.db2.gz XEWDPUYRUOXRSZ-HZPDHXFCSA-N 1 0 379.302 2.831 20 0 GFADRO COc1ccc(CN2C[C@@H](C[NH3+])C3(C2)CCOCC3)c(Br)c1OC ZINC000571443474 564552001 /nfs/dbraw/zinc/55/20/01/564552001.db2.gz PYCSLOFXVDLRJR-CQSZACIVSA-N 1 0 399.329 2.654 20 0 GFADRO CN(C(=O)C[C@H]1Sc2ccc(Cl)cc2NC1=O)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000518428091 564553428 /nfs/dbraw/zinc/55/34/28/564553428.db2.gz MVSOOCUTZJYNLX-XJKSGUPXSA-N 1 0 379.913 2.838 20 0 GFADRO C[C@@H]([NH2+]CCOc1cccc(S(C)(=O)=O)c1)c1ccc(Br)cn1 ZINC000482949309 564553508 /nfs/dbraw/zinc/55/35/08/564553508.db2.gz NNLQKBZEEWIIAL-GFCCVEGCSA-N 1 0 399.310 2.977 20 0 GFADRO CC(=O)NCCN(Cc1ccc(Cl)cc1Cl)C(=O)NC[C@H](C)[NH+](C)C ZINC000455427807 564553766 /nfs/dbraw/zinc/55/37/66/564553766.db2.gz HHZZTZZLWFZAQH-LBPRGKRZSA-N 1 0 389.327 2.591 20 0 GFADRO COc1nc(N2CC[NH+](CC3(SC)CCC3)CC2)ncc1Br ZINC000571511823 564554255 /nfs/dbraw/zinc/55/42/55/564554255.db2.gz XTVPXVZQOXFDDW-UHFFFAOYSA-N 1 0 387.347 2.655 20 0 GFADRO [NH3+]CC[C@H]1CCCCN1C(=O)c1ccc(S(=O)(=O)c2ccccc2)s1 ZINC000518517606 564555488 /nfs/dbraw/zinc/55/54/88/564555488.db2.gz FWJOMDCBSWBHHG-CQSZACIVSA-N 1 0 378.519 2.924 20 0 GFADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000455481502 564556121 /nfs/dbraw/zinc/55/61/21/564556121.db2.gz XHBNOQPGLUZVNW-YESZJQIVSA-N 1 0 381.314 2.780 20 0 GFADRO Cc1c(Cl)cc(F)c(NC(=O)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)c1F ZINC000571571787 564556717 /nfs/dbraw/zinc/55/67/17/564556717.db2.gz FSYCXXLJMGFUDF-SNVBAGLBSA-N 1 0 375.847 2.958 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000571563282 564557378 /nfs/dbraw/zinc/55/73/78/564557378.db2.gz WUQICCWRYXBYPT-INIZCTEOSA-N 1 0 389.297 2.910 20 0 GFADRO O[C@@H](COc1ccc(Br)cc1)CN1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000518627358 564558792 /nfs/dbraw/zinc/55/87/92/564558792.db2.gz PBQHASNWNMKMQZ-IAGOWNOFSA-N 1 0 383.330 2.749 20 0 GFADRO C[C@@H]1CN([C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C[C@]2(CCOC2)O1 ZINC000483173868 564559735 /nfs/dbraw/zinc/55/97/35/564559735.db2.gz IONGUQMTHBUHRP-NJAPINKUSA-N 1 0 385.291 2.979 20 0 GFADRO CCOC(=O)c1c(NC(=O)N2CCC[C@H](C[NH3+])C2)sc2c1CCSC2 ZINC000518728539 564560541 /nfs/dbraw/zinc/56/05/41/564560541.db2.gz YCVGDCLFFRHOPR-LLVKDONJSA-N 1 0 383.539 2.917 20 0 GFADRO CC[C@H]1C[N@H+](C)CCN1C(=O)Nc1cccc(C(=O)OC)c1Br ZINC000518702632 564560780 /nfs/dbraw/zinc/56/07/80/564560780.db2.gz PHAOEIRNSBVHHO-NSHDSACASA-N 1 0 384.274 2.794 20 0 GFADRO C[NH+](C)CCOC1CCN(C(=O)C(=O)Nc2cc(Cl)ccc2Cl)CC1 ZINC000483256062 564561515 /nfs/dbraw/zinc/56/15/15/564561515.db2.gz IBKGXWQGGGDRKG-UHFFFAOYSA-N 1 0 388.295 2.501 20 0 GFADRO CCC[N@@H+]1CCC[C@H]1CNC(=O)NCc1cn2cc(Br)ccc2n1 ZINC000483275479 564562626 /nfs/dbraw/zinc/56/26/26/564562626.db2.gz FYSOHPQRAFLJCI-HNNXBMFYSA-N 1 0 394.317 2.770 20 0 GFADRO CC[NH+]1CCN(CCCNC(=O)[C@H](C)Oc2cc(Cl)cc(Cl)c2)CC1 ZINC000518833384 564564041 /nfs/dbraw/zinc/56/40/41/564564041.db2.gz PWBVDGFESLXWKG-AWEZNQCLSA-N 1 0 388.339 2.905 20 0 GFADRO COCc1c(Br)cccc1NC(=O)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000571789073 564566447 /nfs/dbraw/zinc/56/64/47/564566447.db2.gz HFDUEIATSZCVGM-ZDUSSCGKSA-N 1 0 393.285 2.969 20 0 GFADRO COc1cc(I)ccc1NC(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000455735143 564567118 /nfs/dbraw/zinc/56/71/18/564567118.db2.gz MOWKLFDEAKWUQX-NSHDSACASA-N 1 0 389.237 2.516 20 0 GFADRO CCn1cc(Br)cc1C(=O)N1C[C@@H](SC)[C@@H]([NH+]2CCCC2)C1 ZINC000483406784 564567549 /nfs/dbraw/zinc/56/75/49/564567549.db2.gz MHTHDMOPSMTAFP-LSDHHAIUSA-N 1 0 386.359 2.922 20 0 GFADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(CCOc2c(Cl)cccc2Cl)CC1 ZINC000483507497 564569219 /nfs/dbraw/zinc/56/92/19/564569219.db2.gz JQBKHRVOIYXFCU-MRXNPFEDSA-N 1 0 386.323 2.611 20 0 GFADRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)c2ccc(I)c(F)c2)C1 ZINC000519101497 564569655 /nfs/dbraw/zinc/56/96/55/564569655.db2.gz NRALQEIBDRRAQR-NSHDSACASA-N 1 0 390.240 2.890 20 0 GFADRO CC[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2cccc(Br)c2)CC[N@@H+]1C[C@@H](C)O ZINC000455807917 564572265 /nfs/dbraw/zinc/57/22/65/564572265.db2.gz YLIWHCVXVRFBKJ-XFKAJCMBSA-N 1 0 395.341 2.856 20 0 GFADRO CC[NH+](CC)CCN(CCOC)C(=O)NCc1cccc(Br)c1 ZINC000519212173 564572480 /nfs/dbraw/zinc/57/24/80/564572480.db2.gz ZOIGATDHMNBUKH-UHFFFAOYSA-N 1 0 386.334 2.949 20 0 GFADRO Cc1ncc(Br)cc1NC(=O)NC[C@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000455825119 564572912 /nfs/dbraw/zinc/57/29/12/564572912.db2.gz BTYIOFQHDGQNDQ-MRXNPFEDSA-N 1 0 398.349 2.546 20 0 GFADRO CO[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N(C)CCOc1ccc(Br)cc1 ZINC000483692505 564573014 /nfs/dbraw/zinc/57/30/14/564573014.db2.gz MRXXEYTXLZROIV-IAGOWNOFSA-N 1 0 399.329 2.834 20 0 GFADRO C[C@@H](CNC(=O)NC[C@H](C)[N@H+](C)C1CC1)Oc1ccccc1Br ZINC000483728010 564573940 /nfs/dbraw/zinc/57/39/40/564573940.db2.gz OPBNWXBIICTWSM-STQMWFEESA-N 1 0 384.318 2.998 20 0 GFADRO C[N@@H+]1CC[C@H](C(=O)NC2(Cc3ccc(F)cc3Br)CCOCC2)C1 ZINC000548811271 564575946 /nfs/dbraw/zinc/57/59/46/564575946.db2.gz AQKAMPGWZGVTIL-AWEZNQCLSA-N 1 0 399.304 2.748 20 0 GFADRO CCCC[N@H+](C)CCNC(=O)C(=O)Nc1c(F)ccc(C)c1Br ZINC000483920784 564578337 /nfs/dbraw/zinc/57/83/37/564578337.db2.gz ZEHCOKBDQNXAFO-UHFFFAOYSA-N 1 0 388.281 2.683 20 0 GFADRO Cc1nc2cc(Cl)c(NC(=O)C(=O)N[C@H]3CCC[N@H+](C)[C@H]3C)cc2s1 ZINC000483962870 564579213 /nfs/dbraw/zinc/57/92/13/564579213.db2.gz RTTRFBFKEBKHBY-CABZTGNLSA-N 1 0 380.901 2.796 20 0 GFADRO O=C(NCC1CC[NH+](CCO)CC1)Nc1cc(Cl)cc(Br)c1 ZINC000455969027 564582006 /nfs/dbraw/zinc/58/20/06/564582006.db2.gz KNAARODXZGHSDX-UHFFFAOYSA-N 1 0 390.709 2.928 20 0 GFADRO Cc1cc(NC(=O)NCCOc2ccc(I)cc2)ccn1 ZINC000548948374 564582001 /nfs/dbraw/zinc/58/20/01/564582001.db2.gz FGTORBPYAZPHLW-UHFFFAOYSA-N 1 0 397.216 2.617 20 0 GFADRO O=C1C[C@@H](NCc2cn(-c3ccc(Cl)c(Cl)c3)nn2)[C@H]2CCCCN12 ZINC000548976104 564582078 /nfs/dbraw/zinc/58/20/78/564582078.db2.gz BCCHVIMPJXODHE-HZPDHXFCSA-N 1 0 380.279 2.817 20 0 GFADRO O=C1C[C@H](NCc2cn(-c3cccc(Cl)c3Cl)nn2)[C@@H]2CCCCN12 ZINC000548976074 564582275 /nfs/dbraw/zinc/58/22/75/564582275.db2.gz JQDXFFIIRSGEPH-KBPBESRZSA-N 1 0 380.279 2.817 20 0 GFADRO COCCOC[C@H](O)C[NH2+][C@@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC000519594772 564582687 /nfs/dbraw/zinc/58/26/87/564582687.db2.gz LLBXIIZABHZSFF-CXAGYDPISA-N 1 0 397.313 2.921 20 0 GFADRO CN(C)CC[N@H+](C)CCCNC(=O)c1cc(Cl)cc(F)c1Br ZINC000572174709 564584547 /nfs/dbraw/zinc/58/45/47/564584547.db2.gz BJAXTXXQMBLWID-UHFFFAOYSA-N 1 0 394.716 2.855 20 0 GFADRO C[C@@H]1CC[N@H+](C)CCN1C(=O)C(=O)Nc1cccc(Cl)c1Br ZINC000484255835 564585080 /nfs/dbraw/zinc/58/50/80/564585080.db2.gz DMHNDCHQLNQEBB-SNVBAGLBSA-N 1 0 388.693 2.594 20 0 GFADRO O=C(NCCCCC[NH+]1CCCC1)c1ccc(I)cn1 ZINC000456040603 564585207 /nfs/dbraw/zinc/58/52/07/564585207.db2.gz WXQFPWSDBKZETP-UHFFFAOYSA-N 1 0 387.265 2.682 20 0 GFADRO CCC[N@H+](CC)C[C@@H](C)NS(=O)(=O)c1ccc(Br)c(OC)c1 ZINC000519722162 564588768 /nfs/dbraw/zinc/58/87/68/564588768.db2.gz IUEWWXIDPZRDTB-GFCCVEGCSA-N 1 0 393.347 2.856 20 0 GFADRO C[C@H]([NH2+]C[C@]1(CCO)CCOC1)c1ccccc1I ZINC000484498938 564589194 /nfs/dbraw/zinc/58/91/94/564589194.db2.gz AFLSUPQFYJKICW-WFASDCNBSA-N 1 0 375.250 2.731 20 0 GFADRO CCS(=O)(=O)CCC[NH2+][C@@H](C)CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000519749898 564589362 /nfs/dbraw/zinc/58/93/62/564589362.db2.gz HGPQXWBIJZNAQX-LBPRGKRZSA-N 1 0 380.432 2.837 20 0 GFADRO CC(C)(C)NS(=O)(=O)CC[NH2+]Cc1cnc(CCc2ccccc2)s1 ZINC000519801085 564590977 /nfs/dbraw/zinc/59/09/77/564590977.db2.gz YKUARDJGHILFRV-UHFFFAOYSA-N 1 0 381.567 2.736 20 0 GFADRO [NH3+]C1C[C@H]2CC[C@@H](C1)C2NS(=O)(=O)c1ccc(Cl)cc1Br ZINC000519820745 564592210 /nfs/dbraw/zinc/59/22/10/564592210.db2.gz AGIOCBHQHGBKAW-FOCQTFQBSA-N 1 0 393.734 2.897 20 0 GFADRO O[C@@H](C[NH2+]CCn1cc(Br)cn1)Cc1ccccc1C(F)(F)F ZINC000519824070 564592434 /nfs/dbraw/zinc/59/24/34/564592434.db2.gz SLCPETCPCXENLR-CYBMUJFWSA-N 1 0 392.219 2.858 20 0 GFADRO C[C@@H](NC(=O)c1ccc(Br)cc1)C(=O)NC(C)(C)CCC[NH+](C)C ZINC000456196761 564593428 /nfs/dbraw/zinc/59/34/28/564593428.db2.gz IAIAUDRXCBEISO-CYBMUJFWSA-N 1 0 398.345 2.804 20 0 GFADRO CS[C@@H]1CN(CCCS(=O)(=O)c2ccc(F)cc2)C[C@H]1[NH+]1CCCC1 ZINC000484641658 564593615 /nfs/dbraw/zinc/59/36/15/564593615.db2.gz QTUIWPUJTFTBFP-QZTJIDSGSA-N 1 0 386.558 2.501 20 0 GFADRO CCO[C@@H]1COCC[C@H]1[NH2+][C@H](C)C(=O)N(C)Cc1ccc(Br)cc1 ZINC000484636703 564593665 /nfs/dbraw/zinc/59/36/65/564593665.db2.gz CFOHSGJAIZBGER-KBRIMQKVSA-N 1 0 399.329 2.580 20 0 GFADRO CS[C@H]1CN(CC(=O)N(C)Cc2ccc(Cl)s2)C[C@@H]1[NH+]1CCCC1 ZINC000484637061 564593670 /nfs/dbraw/zinc/59/36/70/564593670.db2.gz HYGQMCNBCGXUKA-GJZGRUSLSA-N 1 0 388.002 2.872 20 0 GFADRO CCO[C@@H]1COCC[C@H]1[NH2+][C@@H](C)C(=O)Nc1ccc(C)cc1Br ZINC000484654736 564593687 /nfs/dbraw/zinc/59/36/87/564593687.db2.gz ROVNVDKORGNCQU-APHBMKBZSA-N 1 0 385.302 2.868 20 0 GFADRO CCO[C@H]1COCC[C@@H]1[NH2+]CC(=O)N(C)Cc1ccc(Cl)c(Cl)c1 ZINC000484658972 564594598 /nfs/dbraw/zinc/59/45/98/564594598.db2.gz WTLAXZPJTODDNE-HOTGVXAUSA-N 1 0 375.296 2.735 20 0 GFADRO CC(C)[C@H]1C[C@H]([NH2+]CCNS(=O)(=O)c2ccc(F)cc2Cl)CS1 ZINC000549422903 564594977 /nfs/dbraw/zinc/59/49/77/564594977.db2.gz SCEPFCDKMCVDPD-GXTWGEPZSA-N 1 0 380.938 2.877 20 0 GFADRO Cc1ccc(S(=O)(=O)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)cc1Br ZINC000549513078 564595828 /nfs/dbraw/zinc/59/58/28/564595828.db2.gz PNWNMXQUYXLGAT-INIZCTEOSA-N 1 0 387.343 2.864 20 0 GFADRO CN(Cc1c(F)cccc1Cl)S(=O)(=O)N1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000572468300 564595841 /nfs/dbraw/zinc/59/58/41/564595841.db2.gz LBRXZCGWDDFDMF-IRXDYDNUSA-N 1 0 389.924 2.762 20 0 GFADRO Cc1nc(CSc2ccc(C(=O)N3CCCO[C@H](C[NH3+])C3)cc2)cs1 ZINC000572481697 564597144 /nfs/dbraw/zinc/59/71/44/564597144.db2.gz YVZJHSXTNKJZQT-MRXNPFEDSA-N 1 0 377.535 2.934 20 0 GFADRO C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000456320372 564600352 /nfs/dbraw/zinc/60/03/52/564600352.db2.gz NAFJTULLSKTIKG-WODVXLOZSA-N 1 0 384.307 2.853 20 0 GFADRO Cc1cccc(I)c1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000456319476 564600566 /nfs/dbraw/zinc/60/05/66/564600566.db2.gz KYPXUGTWWIUFOH-YHWZYXNKSA-N 1 0 384.261 2.955 20 0 GFADRO O[C@@H](CN1CCOCC1)C[NH+]1CCC(Cc2cc(Cl)ccc2Cl)CC1 ZINC000484927315 564602085 /nfs/dbraw/zinc/60/20/85/564602085.db2.gz PRJKUOUXVOFSOW-GOSISDBHSA-N 1 0 387.351 2.941 20 0 GFADRO CCO[C@@H](C)C(=O)Nc1cc(Br)ccc1N1CC[N@H+](C)C[C@@H]1C ZINC000456371031 564603162 /nfs/dbraw/zinc/60/31/62/564603162.db2.gz MZGKPRCCKKSYQC-STQMWFEESA-N 1 0 384.318 2.953 20 0 GFADRO C[C@H]1C[N@H+](C)CCN1c1ccc(Br)cc1NC(=O)COC(F)F ZINC000456372921 564603866 /nfs/dbraw/zinc/60/38/66/564603866.db2.gz OHWZMGRPQJFOJN-JTQLQIEISA-N 1 0 392.244 2.767 20 0 GFADRO COCCN(CC(=O)Nc1cc(C)no1)Cc1cc(Br)cs1 ZINC000549733925 564604182 /nfs/dbraw/zinc/60/41/82/564604182.db2.gz OXDXDJQENFLARM-UHFFFAOYSA-N 1 0 388.287 2.894 20 0 GFADRO CC[C@H]1C[N@H+](CC)CCN1C(=O)c1c(C)nc2ccc(Br)cn21 ZINC000456392217 564604562 /nfs/dbraw/zinc/60/45/62/564604562.db2.gz WWYHRVMKBLIENG-AWEZNQCLSA-N 1 0 379.302 2.962 20 0 GFADRO CC[C@@H]1C[N@H+](CC)CCN1C(=O)[C@@H]1CC(=O)Nc2ccc(Br)cc21 ZINC000456393302 564605868 /nfs/dbraw/zinc/60/58/68/564605868.db2.gz XVBFXIMCNCNZSZ-UKRRQHHQSA-N 1 0 394.313 2.818 20 0 GFADRO O=C(CC[N@@H+](CCO)Cc1ccc(Br)s1)NC1CCCC1 ZINC000485122682 564607121 /nfs/dbraw/zinc/60/71/21/564607121.db2.gz MENCSPZTAGFSNJ-UHFFFAOYSA-N 1 0 375.332 2.754 20 0 GFADRO Cc1cc(S(=O)(=O)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)sc1Br ZINC000549900704 564607806 /nfs/dbraw/zinc/60/78/06/564607806.db2.gz DPNVQAMEWIADHM-AWEZNQCLSA-N 1 0 393.372 2.925 20 0 GFADRO Cc1cc(Br)cc(S(=O)(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)c1 ZINC000549903187 564607861 /nfs/dbraw/zinc/60/78/61/564607861.db2.gz DYWPSYGHQLBPPB-MRXNPFEDSA-N 1 0 387.343 2.864 20 0 GFADRO C[N@@H+]1CCC[C@@]2(CCN(S(=O)(=O)c3ccc(CC(F)(F)F)cc3)C2)C1 ZINC000549903218 564607920 /nfs/dbraw/zinc/60/79/20/564607920.db2.gz GPNGXBLAQVUXFU-MRXNPFEDSA-N 1 0 376.444 2.898 20 0 GFADRO CC[C@@H]1Cc2c(Br)cccc2CN1C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000572739890 564608199 /nfs/dbraw/zinc/60/81/99/564608199.db2.gz MSFXWJWUSJKLAZ-CABCVRRESA-N 1 0 396.329 2.674 20 0 GFADRO CC(C)(CNC(=O)C(=O)NCc1ccc(Cl)cc1Cl)[NH+]1CCCCC1 ZINC000549918635 564609086 /nfs/dbraw/zinc/60/90/86/564609086.db2.gz SODXIOWSHARZIS-UHFFFAOYSA-N 1 0 386.323 2.990 20 0 GFADRO O[C@@H](C[NH2+][C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1)C(F)(F)F ZINC000572870617 564613672 /nfs/dbraw/zinc/61/36/72/564613672.db2.gz XHGVZGUBNITWNL-SCZZXKLOSA-N 1 0 377.716 2.845 20 0 GFADRO [NH3+]C[C@H]1CCCC[C@]12NC(=O)N(CCOc1ccc(Cl)cc1Cl)C2=O ZINC000520806660 564613645 /nfs/dbraw/zinc/61/36/45/564613645.db2.gz YWQQOGCLHOTTGG-DIFFPNOSSA-N 1 0 386.279 2.812 20 0 GFADRO COC(=O)c1cc(Br)cc(C(=O)NCCCCn2ccnc2)c1 ZINC000572900880 564614965 /nfs/dbraw/zinc/61/49/65/564614965.db2.gz FRVBQHOVWWZVES-UHFFFAOYSA-N 1 0 380.242 2.642 20 0 GFADRO CC[NH+](CC)C[C@@H](C)NC(=O)C1(c2cccc(Br)c2)CC(=O)C1 ZINC000520899419 564615873 /nfs/dbraw/zinc/61/58/73/564615873.db2.gz ZADFEJZDKOPUHV-CYBMUJFWSA-N 1 0 381.314 2.896 20 0 GFADRO Cc1ccc(NCCC[NH2+]C[C@H](O)COc2c(Cl)cccc2Cl)nc1 ZINC000572992370 564618249 /nfs/dbraw/zinc/61/82/49/564618249.db2.gz HXJFJWGNFOGFCB-AWEZNQCLSA-N 1 0 384.307 3.528 20 0 GFADRO Cc1cc(Br)cc2c(C(=O)NCC[NH+]3CCC(O)CC3)coc21 ZINC000456586360 564618935 /nfs/dbraw/zinc/61/89/35/564618935.db2.gz TUYGIUJUBAEZKH-UHFFFAOYSA-N 1 0 381.270 2.690 20 0 GFADRO COC(=O)[C@H]1CCCC[C@@]1(C)[NH2+]Cc1ncc(I)s1 ZINC000573045257 564621209 /nfs/dbraw/zinc/62/12/09/564621209.db2.gz IAOMBZXNSHUIHD-NOZJJQNGSA-N 1 0 394.278 2.959 20 0 GFADRO C[C@@H](NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(Br)cc1 ZINC000550348889 564621761 /nfs/dbraw/zinc/62/17/61/564621761.db2.gz LDBJXJZOMCFJNH-XJKCOSOUSA-N 1 0 396.329 2.567 20 0 GFADRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)Cc2ccc(I)cc2)C1 ZINC000521243013 564622707 /nfs/dbraw/zinc/62/27/07/564622707.db2.gz QJJJPPPZABTNBI-AWEZNQCLSA-N 1 0 386.277 2.680 20 0 GFADRO CC[NH+](CC)CCSCC(=O)Nc1cc(N(C)C)c(Br)cn1 ZINC000456681554 564624505 /nfs/dbraw/zinc/62/45/05/564624505.db2.gz WQXMMETWYNGBPX-UHFFFAOYSA-N 1 0 389.363 2.924 20 0 GFADRO CC[C@H]([NH2+]CCN1C(=O)NC(C)(C)C1=O)c1cc(F)cc(Br)c1 ZINC000485832822 564626943 /nfs/dbraw/zinc/62/69/43/564626943.db2.gz RTEAOKMANVZHQP-ZDUSSCGKSA-N 1 0 386.265 2.959 20 0 GFADRO COc1cc(OC)c(S(=O)(=O)N[C@@H](C[NH3+])C2CCCCC2)cc1Cl ZINC000521435137 564627121 /nfs/dbraw/zinc/62/71/21/564627121.db2.gz PPWHNHOZRJMVDR-ZDUSSCGKSA-N 1 0 376.906 2.543 20 0 GFADRO C[C@@H](CNC(=O)CNC(=O)c1ccc(Cl)c(Cl)c1)[N@@H+]1CCC[C@H](C)C1 ZINC000521473467 564628760 /nfs/dbraw/zinc/62/87/60/564628760.db2.gz DJXVWWDAWJMULM-STQMWFEESA-N 1 0 386.323 2.960 20 0 GFADRO O[C@H](COc1c(Cl)cccc1Cl)CN1CCO[C@H](COCC2CC2)C1 ZINC000485878813 564629161 /nfs/dbraw/zinc/62/91/61/564629161.db2.gz COZYQPOGGAHJFI-GJZGRUSLSA-N 1 0 390.307 2.861 20 0 GFADRO CS(=O)(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(Br)cc(F)c1F ZINC000573328463 564633692 /nfs/dbraw/zinc/63/36/92/564633692.db2.gz NNPFGWKRBPCEBW-CHWSQXEVSA-N 1 0 397.285 2.677 20 0 GFADRO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]C1(C(=O)Nc2ccccc2)CC1 ZINC000550911092 564634633 /nfs/dbraw/zinc/63/46/33/564634633.db2.gz VRPKQIAQASZVPZ-ZDUSSCGKSA-N 1 0 390.281 2.760 20 0 GFADRO COCCOC[C@H](O)C[NH2+]CC1(c2ccc(Br)cc2Cl)CC1 ZINC000573358515 564634688 /nfs/dbraw/zinc/63/46/88/564634688.db2.gz JAWZPOWFYAOPRY-CYBMUJFWSA-N 1 0 392.721 2.748 20 0 GFADRO CC1=CCN(CC[NH2+]C[C@@H](O)COc2cc(F)cc(Br)c2)CC1 ZINC000573359942 564634982 /nfs/dbraw/zinc/63/49/82/564634982.db2.gz UIOZLJXEJPYMED-MRXNPFEDSA-N 1 0 387.293 2.570 20 0 GFADRO COc1cc(Br)c(C[NH2+]C[C@H]2CC(=O)N(C3CC3)C2)c(OC)c1 ZINC000573378577 564635556 /nfs/dbraw/zinc/63/55/56/564635556.db2.gz NQSIGSYIMWPJKG-LLVKDONJSA-N 1 0 383.286 2.567 20 0 GFADRO COCCO[C@@H]1COCC[C@H]1[NH2+][C@H]1CCc2c1cc(Br)cc2F ZINC000486086633 564638526 /nfs/dbraw/zinc/63/85/26/564638526.db2.gz LESHCBKDTUDQJH-GVDBMIGSSA-N 1 0 388.277 2.986 20 0 GFADRO C[N@@H+]1CCN(Cc2noc(Cc3ccc(Br)cc3)n2)CC1(C)C ZINC000521894201 564638668 /nfs/dbraw/zinc/63/86/68/564638668.db2.gz LPTNDASBCJQVRC-UHFFFAOYSA-N 1 0 379.302 2.949 20 0 GFADRO CC[NH+](CC)CCO[C@@H]1CCN(S(=O)(=O)c2cc(Cl)ccc2F)C1 ZINC000551163321 564640034 /nfs/dbraw/zinc/64/00/34/564640034.db2.gz VNFXBJYPIGLFFK-CQSZACIVSA-N 1 0 378.897 2.601 20 0 GFADRO CC[NH+]1CCC(N2CCCN(S(=O)(=O)c3sccc3Cl)CC2)CC1 ZINC000573482564 564640211 /nfs/dbraw/zinc/64/02/11/564640211.db2.gz JJXZFTNQOSZUDE-UHFFFAOYSA-N 1 0 391.990 2.582 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CNC(=O)CC1CC[NH+](C)CC1 ZINC000486132851 564641186 /nfs/dbraw/zinc/64/11/86/564641186.db2.gz ZULXMORJQBVMTF-UHFFFAOYSA-N 1 0 382.302 2.544 20 0 GFADRO CC(C)(CNC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1)c1ccc(Cl)c(Cl)c1 ZINC000521997769 564641777 /nfs/dbraw/zinc/64/17/77/564641777.db2.gz UVEXRDAOGCKEGZ-HNNXBMFYSA-N 1 0 386.323 2.646 20 0 GFADRO CC1(C)CCC[N@@H+]1CCNC(=O)c1cc(Br)c2c(c1)OCCO2 ZINC000457079015 564645420 /nfs/dbraw/zinc/64/54/20/564645420.db2.gz RPLFWLGCZPNROZ-UHFFFAOYSA-N 1 0 383.286 2.825 20 0 GFADRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)Cc2ccc(I)cc2)C1 ZINC000457090204 564646002 /nfs/dbraw/zinc/64/60/02/564646002.db2.gz LUTSJEHVIXYQQA-HNNXBMFYSA-N 1 0 386.277 2.775 20 0 GFADRO COC(=O)c1cc(Br)cc(C(=O)N(C)[C@H]2CC[N@@H+](C(C)C)C2)c1 ZINC000457087127 564646628 /nfs/dbraw/zinc/64/66/28/564646628.db2.gz JIYKIGZZXQQNOR-HNNXBMFYSA-N 1 0 383.286 2.790 20 0 GFADRO CC(C)(C[NH+]1CCCC1)NC(=O)c1cc(=O)c2cc(Br)ccc2[nH]1 ZINC000573660159 564648184 /nfs/dbraw/zinc/64/81/84/564648184.db2.gz TWQSHWFAADLISG-UHFFFAOYSA-N 1 0 392.297 2.895 20 0 GFADRO CC(C)N(CC[NH+](C)C)C(=O)[C@H]1CC(=O)Nc2ccc(Br)cc21 ZINC000486303305 564648190 /nfs/dbraw/zinc/64/81/90/564648190.db2.gz HXIWRSHTGZPQCX-AWEZNQCLSA-N 1 0 382.302 2.674 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)c1ncc(Br)cc1Br ZINC000573676170 564648762 /nfs/dbraw/zinc/64/87/62/564648762.db2.gz CEIINRYWCQPKOG-LDYMZIIASA-N 1 0 391.107 2.949 20 0 GFADRO COC1CC[NH+](C(C)(C)CNC(=O)COc2ccccc2Br)CC1 ZINC000486371550 564649761 /nfs/dbraw/zinc/64/97/61/564649761.db2.gz WADKKTGAQHYJHE-UHFFFAOYSA-N 1 0 399.329 2.834 20 0 GFADRO CC(=O)Nc1nnc(SC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)s1 ZINC000551423756 564649823 /nfs/dbraw/zinc/64/98/23/564649823.db2.gz LQRNYUAEORACFV-OAHLLOKOSA-N 1 0 378.523 2.880 20 0 GFADRO C[C@H]1CC[N@H+](C)CCN1C(=O)C(=O)N[C@H]1CCSc2ccc(Cl)cc21 ZINC000573705236 564650733 /nfs/dbraw/zinc/65/07/33/564650733.db2.gz HVJPMDUWDBUYEF-WFASDCNBSA-N 1 0 381.929 2.546 20 0 GFADRO CCC[NH+]1CCC(NC(=O)C(=O)Nc2cc(Br)c(C)cc2C)CC1 ZINC000486396978 564650785 /nfs/dbraw/zinc/65/07/85/564650785.db2.gz AGXDGSQRKUSGMC-UHFFFAOYSA-N 1 0 396.329 2.995 20 0 GFADRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)c1csc(I)c1 ZINC000522380644 564651081 /nfs/dbraw/zinc/65/10/81/564651081.db2.gz HTDAXUDUBVPUHZ-JTQLQIEISA-N 1 0 378.279 2.767 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)NCC2([NH+](C)C)CCCC2)cc1Br ZINC000486415238 564651226 /nfs/dbraw/zinc/65/12/26/564651226.db2.gz XVICLCPJQUBHFT-UHFFFAOYSA-N 1 0 396.329 2.995 20 0 GFADRO COc1ccc(Br)cc1CNC(=O)N1CC[N@H+](C)[C@@H](C(C)C)C1 ZINC000486486674 564653808 /nfs/dbraw/zinc/65/38/08/564653808.db2.gz KQYRUOXHYJUTGA-OAHLLOKOSA-N 1 0 384.318 2.939 20 0 GFADRO C[C@H]([NH2+]CCOC(C)(C)C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000573780575 564654046 /nfs/dbraw/zinc/65/40/46/564654046.db2.gz LUWQEANJLJWHNA-JTQLQIEISA-N 1 0 379.320 2.562 20 0 GFADRO COc1ccc(Br)cc1[C@H]1CCCN1C(=O)COC1CC[NH2+]CC1 ZINC000573793005 564654361 /nfs/dbraw/zinc/65/43/61/564654361.db2.gz FVMSIHOBOLSKEW-MRXNPFEDSA-N 1 0 397.313 2.890 20 0 GFADRO Cc1ccc(CC[NH2+][C@@H](C)c2ccc(Br)c(S(N)(=O)=O)c2)o1 ZINC000573873779 564657943 /nfs/dbraw/zinc/65/79/43/564657943.db2.gz CYMXKHJQQBUWRN-NSHDSACASA-N 1 0 387.299 2.891 20 0 GFADRO O=S1(=O)CCO[C@H](C[NH2+][C@@H]2CC[C@H](c3ccc(C(F)(F)F)cc3)C2)C1 ZINC000573883478 564658030 /nfs/dbraw/zinc/65/80/30/564658030.db2.gz DAOJTECUFADZMB-NUEKZKHPSA-N 1 0 377.428 2.745 20 0 GFADRO C[C@@H]1[C@H]([NH3+])CCCN1C(=O)[C@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl ZINC000457358270 564658877 /nfs/dbraw/zinc/65/88/77/564658877.db2.gz NICNDNPNQJGPNS-HFBAOOFYSA-N 1 0 384.307 2.936 20 0 GFADRO CC(C)COC[C@H](O)C[NH2+][C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000573957497 564661619 /nfs/dbraw/zinc/66/16/19/564661619.db2.gz ZALYTHOVCHDBJH-CZUORRHYSA-N 1 0 375.296 2.722 20 0 GFADRO C[N@@H+]1CC[C@@H]2CCN(S(=O)(=O)c3ccc(OC(F)F)c(Cl)c3)[C@@H]2C1 ZINC000486662936 564662129 /nfs/dbraw/zinc/66/21/29/564662129.db2.gz WPKVJUMHAZEERQ-ZWNOBZJWSA-N 1 0 380.844 2.656 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)c2ccn(-c3ccc(Br)cc3)n2)C[N@@H+]1C1CC1 ZINC000551775623 564663594 /nfs/dbraw/zinc/66/35/94/564663594.db2.gz JUCAIWDOFNWPEX-TZMCWYRMSA-N 1 0 389.297 2.990 20 0 GFADRO C[N@@H+]1CCC[C@H]1CNC(=O)N1CCO[C@@H](c2cccc(Br)c2)C1 ZINC000523331157 564664856 /nfs/dbraw/zinc/66/48/56/564664856.db2.gz JESLBQJKHRFUPR-JKSUJKDBSA-N 1 0 382.302 2.626 20 0 GFADRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)NCc2n[nH]cc2Br)C1 ZINC000523384615 564665820 /nfs/dbraw/zinc/66/58/20/564665820.db2.gz HDRJUHLRXHJZCR-OCCSQVGLSA-N 1 0 392.301 2.807 20 0 GFADRO Cc1cc(S(=O)(=O)N2CCC(OCCC[NH3+])CC2)ccc1C(F)(F)F ZINC000574082587 564667870 /nfs/dbraw/zinc/66/78/70/564667870.db2.gz REEGBZXPGOTCTI-UHFFFAOYSA-N 1 0 380.432 2.532 20 0 GFADRO Cc1nnc([C@H]2CC[N@H+](CCC(=O)Nc3ccc(Br)cc3F)C2)[nH]1 ZINC000574168199 564671001 /nfs/dbraw/zinc/67/10/01/564671001.db2.gz GJMBEFQXKPHDPI-NSHDSACASA-N 1 0 396.264 2.833 20 0 GFADRO C[C@@H]1CCC[C@](CNC(=O)c2cc(I)c[nH]2)([NH+](C)C)C1 ZINC000523744143 564672969 /nfs/dbraw/zinc/67/29/69/564672969.db2.gz MNGBQHVDNNVOAS-ABAIWWIYSA-N 1 0 389.281 2.860 20 0 GFADRO COc1ccc(C[N@H+](C)CCOc2ccc(S(N)(=O)=O)cc2)cc1Cl ZINC000552072124 564675848 /nfs/dbraw/zinc/67/58/48/564675848.db2.gz XAWWQBPSVAXLMI-UHFFFAOYSA-N 1 0 384.885 2.507 20 0 GFADRO CCC[N@H+](CC)CCNC(=O)COc1ccc(Br)cc1C(C)=O ZINC000552075781 564676025 /nfs/dbraw/zinc/67/60/25/564676025.db2.gz GJILSHPDUIVVMS-UHFFFAOYSA-N 1 0 385.302 2.879 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH2+]C[C@@H](O)[C@@H]1CCOC1 ZINC000524065242 564676410 /nfs/dbraw/zinc/67/64/10/564676410.db2.gz MWBHQAUAQPOELP-RDTXWAMCSA-N 1 0 394.313 2.739 20 0 GFADRO C[C@H](NC(=O)c1cc2sc3ccccc3c2s1)C(=O)NCC[NH+](C)C ZINC000552081230 564676599 /nfs/dbraw/zinc/67/65/99/564676599.db2.gz BTYGXIWYVQLQHC-NSHDSACASA-N 1 0 375.519 2.912 20 0 GFADRO COCCC[C@@H](C)[NH2+]CCCNS(=O)(=O)c1ccccc1Br ZINC000552088191 564676821 /nfs/dbraw/zinc/67/68/21/564676821.db2.gz CMTZFMNEEFOZLC-CYBMUJFWSA-N 1 0 393.347 2.522 20 0 GFADRO CN(C)S(=O)(=O)c1ccc(C[NH2+]Cc2cnc3ccc(Cl)cn23)cc1 ZINC000524114573 564677436 /nfs/dbraw/zinc/67/74/36/564677436.db2.gz AAVQPKSWKHDLAX-UHFFFAOYSA-N 1 0 378.885 2.528 20 0 GFADRO C[C@@H]1CN(C(=O)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)C[C@H](C)N1C ZINC000487230191 564679929 /nfs/dbraw/zinc/67/99/29/564679929.db2.gz LUVQPESFVFTEPY-AOOOYVTPSA-N 1 0 377.794 2.848 20 0 GFADRO CN(CCC[NH+]1CCCC1)C(=O)C(=O)NCCc1cc(Cl)cc(Cl)c1 ZINC000552194564 564681190 /nfs/dbraw/zinc/68/11/90/564681190.db2.gz IAUZWVMVDJSVEO-UHFFFAOYSA-N 1 0 386.323 2.596 20 0 GFADRO C[NH+](C)CC(C)(C)NC(=O)NC[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000457974746 564682251 /nfs/dbraw/zinc/68/22/51/564682251.db2.gz SGEZCONYURDUQT-AWEZNQCLSA-N 1 0 397.361 2.915 20 0 GFADRO COc1cc(C)c(Br)cc1S(=O)(=O)NC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000574637175 564682873 /nfs/dbraw/zinc/68/28/73/564682873.db2.gz FDYUOEAWXWIDBC-NWDGAFQWSA-N 1 0 391.331 2.562 20 0 GFADRO CC[C@@H]([NH2+]C[C@H]1CCN(S(C)(=O)=O)C1)c1ccc(OC(F)(F)F)cc1 ZINC000552276515 564684681 /nfs/dbraw/zinc/68/46/81/564684681.db2.gz ZRUYWRWEWRXTBO-IUODEOHRSA-N 1 0 380.432 2.907 20 0 GFADRO C[NH+](C)CCOC1CCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000524648991 564684903 /nfs/dbraw/zinc/68/49/03/564684903.db2.gz PLVKSWDQYFEBDW-UHFFFAOYSA-N 1 0 395.352 2.866 20 0 GFADRO CCCN(CC[NH+](C)C)C(=O)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000524824724 564688155 /nfs/dbraw/zinc/68/81/55/564688155.db2.gz GUNUDUCNWWAYHX-CQSZACIVSA-N 1 0 396.329 2.602 20 0 GFADRO C[C@@H]1CC[N@H+](CC(=O)N2CCN(C(=O)c3cc(Cl)cc(Cl)c3)CC2)C1 ZINC000575020721 564690735 /nfs/dbraw/zinc/69/07/35/564690735.db2.gz WICPFZYSENTPIQ-CYBMUJFWSA-N 1 0 384.307 2.620 20 0 GFADRO C[C@@H](CNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1)c1c(Cl)cccc1Cl ZINC000552471654 564692183 /nfs/dbraw/zinc/69/21/83/564692183.db2.gz SABWZVDIXXDZOZ-RYUDHWBXSA-N 1 0 384.307 2.566 20 0 GFADRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)[C@@H](c2ccc(Cl)cc2Cl)N2CCOCC2)C1 ZINC000575122376 564692410 /nfs/dbraw/zinc/69/24/10/564692410.db2.gz LPIUCQKYVSRPSM-SUYBPPKGSA-N 1 0 386.323 2.610 20 0 GFADRO C[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000552524135 564694542 /nfs/dbraw/zinc/69/45/42/564694542.db2.gz ZFWZIMBVRBBQRM-XUJVJEKNSA-N 1 0 386.323 2.640 20 0 GFADRO Cc1cc(NC(=O)c2c(Br)cnn2C)ccc1OCC[NH+](C)C ZINC000458209909 564694691 /nfs/dbraw/zinc/69/46/91/564694691.db2.gz LMFJHIWGKACXDU-UHFFFAOYSA-N 1 0 381.274 2.684 20 0 GFADRO C[C@H](NC(=O)N1C[C@@H]([NH+]2CCCC2)C[C@H]1C)c1ncc(Br)cn1 ZINC000575241339 564695752 /nfs/dbraw/zinc/69/57/52/564695752.db2.gz PZMLNROZLLNALY-DYEKYZERSA-N 1 0 382.306 2.568 20 0 GFADRO CC[NH+]1CCN(CC(C)(C)NC(=O)NCc2ccc(Br)cc2)CC1 ZINC000458342786 564698732 /nfs/dbraw/zinc/69/87/32/564698732.db2.gz OXPHOKNYNAOEJC-UHFFFAOYSA-N 1 0 397.361 2.664 20 0 GFADRO COCC[C@H](Cc1cccc(Br)c1)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000525477066 564701695 /nfs/dbraw/zinc/70/16/95/564701695.db2.gz SYVDXMUVKYISQJ-NVXWUHKLSA-N 1 0 395.341 2.997 20 0 GFADRO C[NH+](C)C[C@H]1CCCCN1C(=O)[C@H]1CC(=O)Nc2ccc(Br)cc21 ZINC000575744076 564702844 /nfs/dbraw/zinc/70/28/44/564702844.db2.gz YBJMHCZAESBJJL-HIFRSBDPSA-N 1 0 394.313 2.818 20 0 GFADRO C[C@@H]1C[C@@H]1C[NH+]1CCN(C(=O)c2ccccc2I)CC1 ZINC000488313210 564708903 /nfs/dbraw/zinc/70/89/03/564708903.db2.gz LKCJBWHJMXPOON-CHWSQXEVSA-N 1 0 384.261 2.705 20 0 GFADRO C[C@H]1CC[N@H+](CCNC(=O)[C@H]2CC(=O)N(c3cc(Cl)cc(Cl)c3)C2)C1 ZINC000525805342 564709571 /nfs/dbraw/zinc/70/95/71/564709571.db2.gz SINGFYCHAWDZQA-STQMWFEESA-N 1 0 384.307 2.804 20 0 GFADRO Cn1cc(-c2csc(NC(=O)C3CC[NH+]([C@@H]4CCSC4)CC3)n2)cn1 ZINC000553143358 564711495 /nfs/dbraw/zinc/71/14/95/564711495.db2.gz HTTRCMVEGNWIRM-CQSZACIVSA-N 1 0 377.539 2.700 20 0 GFADRO C[N@@H+]1CCN(CC(=O)Nc2ccc(Br)cn2)CC12CCCCC2 ZINC000576289442 564712298 /nfs/dbraw/zinc/71/22/98/564712298.db2.gz DQBCZBQSCQHWCY-UHFFFAOYSA-N 1 0 381.318 2.733 20 0 GFADRO O=C(CCn1cc(Cl)cn1)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000525952671 564713539 /nfs/dbraw/zinc/71/35/39/564713539.db2.gz BVUKGDHXZQBVAY-UHFFFAOYSA-N 1 0 378.826 2.848 20 0 GFADRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)NCCCCn2cc(Br)cn2)C1 ZINC000458724641 564714618 /nfs/dbraw/zinc/71/46/18/564714618.db2.gz BFLLSTDJYWBSQS-HNNXBMFYSA-N 1 0 386.338 2.550 20 0 GFADRO C[NH+](C)CC(C)(C)NC(=O)N[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000458719232 564714875 /nfs/dbraw/zinc/71/48/75/564714875.db2.gz MDYAHUOUYNFSFL-AWEZNQCLSA-N 1 0 383.334 2.667 20 0 GFADRO CC(C)(C[NH+]1CCCC1)NC(=O)NCCCCn1cc(Br)cn1 ZINC000458746741 564716291 /nfs/dbraw/zinc/71/62/91/564716291.db2.gz QCRACWKLZNPHRH-UHFFFAOYSA-N 1 0 386.338 2.599 20 0 GFADRO c1nc(-c2ccncc2)sc1C[NH2+]C[C@]1(N2CCOCC2)CCSC1 ZINC000553379777 564717950 /nfs/dbraw/zinc/71/79/50/564717950.db2.gz XPMWWKSSJCBZSS-GOSISDBHSA-N 1 0 376.551 2.503 20 0 GFADRO C[N@@H+]1CC[C@H](C(=O)N(Cc2cccc(Br)c2)C2CCOCC2)C1 ZINC000526068228 564719203 /nfs/dbraw/zinc/71/92/03/564719203.db2.gz GEUWHSPYOHPZIL-HNNXBMFYSA-N 1 0 381.314 2.908 20 0 GFADRO C[C@@H](NC(=O)NCCNc1cc[nH+]cc1)c1ccc(F)c(Br)c1 ZINC000458839520 564719573 /nfs/dbraw/zinc/71/95/73/564719573.db2.gz DLMFQQGFNZEQDX-LLVKDONJSA-N 1 0 381.249 2.877 20 0 GFADRO O=C(NC[C@@H]1CCC[NH2+]1)Nc1cccc(Oc2ncc(Br)cn2)c1 ZINC000576805339 564719903 /nfs/dbraw/zinc/71/99/03/564719903.db2.gz QVDZEJGVHZQAGO-ZDUSSCGKSA-N 1 0 392.257 2.905 20 0 GFADRO O=C(CCOc1ccc(Cl)c(Cl)c1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000488803884 564720637 /nfs/dbraw/zinc/72/06/37/564720637.db2.gz YXHYOJVRJNISFG-AWEZNQCLSA-N 1 0 387.307 2.943 20 0 GFADRO COc1ccc(CCC(=O)NCC[NH+]2CCSCC2)cc1Br ZINC000488892423 564723067 /nfs/dbraw/zinc/72/30/67/564723067.db2.gz RBCJUFGPMKHELJ-UHFFFAOYSA-N 1 0 387.343 2.555 20 0 GFADRO Cc1nc(CNC(=O)N2CC[C@H]([NH+]3CCCC3)[C@@H]2C)sc1Br ZINC000458920506 564723888 /nfs/dbraw/zinc/72/38/88/564723888.db2.gz FQRRAGDZEGATJA-RYUDHWBXSA-N 1 0 387.347 2.982 20 0 GFADRO Cc1nc(CNC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)sc1Br ZINC000458920555 564723917 /nfs/dbraw/zinc/72/39/17/564723917.db2.gz FYKZTDMPJKRSFK-GFCCVEGCSA-N 1 0 387.347 2.984 20 0 GFADRO Cc1nc(CNC(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)sc1Br ZINC000458919640 564723919 /nfs/dbraw/zinc/72/39/19/564723919.db2.gz DWCNKGQIVOXARS-KOLCDFICSA-N 1 0 375.336 2.838 20 0 GFADRO O=C(CCCOc1cccc(Br)c1)NCC[NH+]1CCSCC1 ZINC000489014647 564726260 /nfs/dbraw/zinc/72/62/60/564726260.db2.gz NHNOCPHNIOAIGC-UHFFFAOYSA-N 1 0 387.343 2.773 20 0 GFADRO O=C(NC/C=C/c1ccc(Br)cc1)NC[C@H]1CCCC[N@H+]1CCO ZINC000458962853 564726799 /nfs/dbraw/zinc/72/67/99/564726799.db2.gz DRBOLUMLAWIUBJ-REMYHPOOSA-N 1 0 396.329 2.608 20 0 GFADRO C[C@@H]1CN(C(=O)NC/C=C\c2ccc(Br)cc2)C[C@H](C)[N@H+]1CCO ZINC000458964089 564726810 /nfs/dbraw/zinc/72/68/10/564726810.db2.gz FJMSSMQQXPIEGB-JQBDECOXSA-N 1 0 396.329 2.559 20 0 GFADRO CC(C)(O)C[NH+]1CCN(C(=O)NC/C=C/c2ccc(Br)cc2)CC1 ZINC000458975477 564727171 /nfs/dbraw/zinc/72/71/71/564727171.db2.gz NYXDZFDTXQWXDS-ONEGZZNKSA-N 1 0 396.329 2.560 20 0 GFADRO C[C@H](CNC(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1)Oc1ccccc1Br ZINC000577208125 564728774 /nfs/dbraw/zinc/72/87/74/564728774.db2.gz JJKYTHLVAPCVHD-IPYPFGDCSA-N 1 0 382.302 2.610 20 0 GFADRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2S(=O)(=O)Cc2ccccc2Br)C1 ZINC000577284175 564732827 /nfs/dbraw/zinc/73/28/27/564732827.db2.gz NBBBUPDIIMXSLR-BBRMVZONSA-N 1 0 387.343 2.695 20 0 GFADRO COCCN(CC[NH+](C)C)Cc1c(Br)cncc1Br ZINC000577330494 564734555 /nfs/dbraw/zinc/73/45/55/564734555.db2.gz ZNAFDEMKXKLVHR-UHFFFAOYSA-N 1 0 395.139 2.617 20 0 GFADRO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)NCc1nc2c(cccc2Br)[nH]1 ZINC000459192664 564735176 /nfs/dbraw/zinc/73/51/76/564735176.db2.gz FNBJBEGMJSOARY-CQSZACIVSA-N 1 0 394.317 2.807 20 0 GFADRO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1nc2c(cccc2Br)[nH]1 ZINC000459195857 564735595 /nfs/dbraw/zinc/73/55/95/564735595.db2.gz GOAJOSCTRLHVOU-NWDGAFQWSA-N 1 0 392.301 2.704 20 0 GFADRO Cc1cc(CNC(=O)N2CC[NH+](C3CCOCC3)CC2)ccc1Br ZINC000459190636 564735713 /nfs/dbraw/zinc/73/57/13/564735713.db2.gz XCFVVCIWFIDTKN-UHFFFAOYSA-N 1 0 396.329 2.764 20 0 GFADRO C[C@@H]1C[C@H]1[N@@H+]1CCN(C(=O)c2cc(Br)cnc2N(C)C)C[C@@H](C)C1 ZINC000553781857 564735831 /nfs/dbraw/zinc/73/58/31/564735831.db2.gz GRJJHOCJMMKRKL-WOSRLPQWSA-N 1 0 395.345 2.712 20 0 GFADRO CCN(CCC[NH+](C)C)C(=O)c1cc(F)c(F)cc1I ZINC000527308131 564738059 /nfs/dbraw/zinc/73/80/59/564738059.db2.gz LBHRDBFYSVKQBW-UHFFFAOYSA-N 1 0 396.219 2.983 20 0 GFADRO O=C(c1ccc(Br)c(OC(F)(F)F)c1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000577868314 564738257 /nfs/dbraw/zinc/73/82/57/564738257.db2.gz JJBCOXVKNVQASJ-AOOOYVTPSA-N 1 0 379.176 2.639 20 0 GFADRO COCC[N@H+](Cc1ccc(I)cc1)[C@@H]1CCO[C@H]1C ZINC000489463882 564740411 /nfs/dbraw/zinc/74/04/11/564740411.db2.gz ANVVCKGDBSRNJJ-SWLSCSKDSA-N 1 0 375.250 2.917 20 0 GFADRO COc1cc(CNCc2cccc(O)c2Br)ccc1OCCO ZINC000459371214 564741276 /nfs/dbraw/zinc/74/12/76/564741276.db2.gz JLOFEUXFODLLIL-UHFFFAOYSA-N 1 0 382.254 2.824 20 0 GFADRO C[N@@H+]1CC[C@H]2[C@H](CCCN2S(=O)(=O)Cc2cccc(Br)c2)C1 ZINC000553872695 564742402 /nfs/dbraw/zinc/74/24/02/564742402.db2.gz ZXSYHDORCJWKKL-ZBFHGGJFSA-N 1 0 387.343 2.695 20 0 GFADRO C[N@@H+]1CCC[C@H]2CN(S(=O)(=O)Cc3ccccc3Br)CC[C@@H]21 ZINC000553872577 564742433 /nfs/dbraw/zinc/74/24/33/564742433.db2.gz YRJIIKGXOJTDEV-BBRMVZONSA-N 1 0 387.343 2.695 20 0 GFADRO Cc1cc(C2CC[NH+](CCN3C(=O)N[C@H](C)C3=O)CC2)ccc1Br ZINC000459424967 564743453 /nfs/dbraw/zinc/74/34/53/564743453.db2.gz KDIRSUPXENGLIE-CYBMUJFWSA-N 1 0 394.313 2.877 20 0 GFADRO C[NH+](C)[C@H]1CCC[C@H](NS(=O)(=O)c2cccc(OC(F)(F)F)c2F)C1 ZINC000489552306 564743494 /nfs/dbraw/zinc/74/34/94/564743494.db2.gz NAFYIWUFLCVWQH-QWRGUYRKSA-N 1 0 384.395 2.875 20 0 GFADRO CC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2cccc(OC(F)(F)F)c2F)C1 ZINC000489593382 564744867 /nfs/dbraw/zinc/74/48/67/564744867.db2.gz UZWKGCJZYMQEGA-NSHDSACASA-N 1 0 384.395 2.687 20 0 GFADRO Cc1cc(NC(=O)NC[C@@H](CO)Cc2cc(F)cc(Br)c2)ccn1 ZINC000459488027 564746828 /nfs/dbraw/zinc/74/68/28/564746828.db2.gz VNBCZBKNVXOLKB-ZDUSSCGKSA-N 1 0 396.260 2.686 20 0 GFADRO COc1ccc(Br)cc1CN1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000579479903 564748119 /nfs/dbraw/zinc/74/81/19/564748119.db2.gz HMLFXAWYLSFVQN-UHFFFAOYSA-N 1 0 383.330 2.784 20 0 GFADRO C[C@@H]([NH2+]CCc1cncn1C)c1ccc(Br)cc1OCCCO ZINC000459510231 564748199 /nfs/dbraw/zinc/74/81/99/564748199.db2.gz YWBJUHFPXXHDBT-CYBMUJFWSA-N 1 0 382.302 2.837 20 0 GFADRO C[NH+](C)C[C@H]1CCN(S(=O)(=O)c2cc(Br)cc3cccnc32)C1 ZINC000579627594 564749130 /nfs/dbraw/zinc/74/91/30/564749130.db2.gz BMMCYDUVENNSKZ-GFCCVEGCSA-N 1 0 398.326 2.570 20 0 GFADRO CCOc1cc(CN(CCO)Cc2ccnn2CC)cc(Br)c1O ZINC000459525574 564749301 /nfs/dbraw/zinc/74/93/01/564749301.db2.gz LDUKJRUHIMJLMK-UHFFFAOYSA-N 1 0 398.301 2.764 20 0 GFADRO CCOc1cc(C[NH2+]C[C@H]2CCCN(C(C)=O)C2)cc(Br)c1O ZINC000459524384 564749659 /nfs/dbraw/zinc/74/96/59/564749659.db2.gz KCZOASXJNKIAOH-CYBMUJFWSA-N 1 0 385.302 2.902 20 0 GFADRO C[C@@H](NCC(=O)NC1CC[NH+](C2CC2)CC1)c1ccc(Br)cc1F ZINC000579639309 564750039 /nfs/dbraw/zinc/75/00/39/564750039.db2.gz IRNSUORJLZBWBM-GFCCVEGCSA-N 1 0 398.320 2.982 20 0 GFADRO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)CNC(C)(C)C[NH+](C)C ZINC000459550003 564750308 /nfs/dbraw/zinc/75/03/08/564750308.db2.gz OFMZVSYUXCYGRZ-UHFFFAOYSA-N 1 0 376.284 2.648 20 0 GFADRO CC[NH+]1CCN(CCC(=O)N2CCc3ccc(F)c(Br)c3C2)CC1 ZINC000527629044 564751936 /nfs/dbraw/zinc/75/19/36/564751936.db2.gz VLPBVYQICUHVSD-UHFFFAOYSA-N 1 0 398.320 2.501 20 0 GFADRO C[NH+]1CCN(CCC[NH2+]Cc2c[nH]nc2-c2ccc(Br)s2)CC1 ZINC000527631896 564752091 /nfs/dbraw/zinc/75/20/91/564752091.db2.gz KOQWAJYUDKDZAN-UHFFFAOYSA-N 1 0 398.374 2.628 20 0 GFADRO Cn1cc([C@](C)(O)C[NH2+]Cc2c[nH]nc2-c2ccc(Br)s2)cn1 ZINC000527663660 564753964 /nfs/dbraw/zinc/75/39/64/564753964.db2.gz AXBJSPUSXWTEOQ-OAHLLOKOSA-N 1 0 396.314 2.632 20 0 GFADRO O=C(C1CCC1)N1CCN(CC[NH2+]Cc2ccsc2C(F)(F)F)CC1 ZINC000527661424 564754281 /nfs/dbraw/zinc/75/42/81/564754281.db2.gz QAZAKFICPLHSME-UHFFFAOYSA-N 1 0 375.460 2.801 20 0 GFADRO CC(C)N1C[C@@H]([NH2+]Cc2c[nH]nc2-c2ccc(Br)s2)CC1=O ZINC000527663583 564754536 /nfs/dbraw/zinc/75/45/36/564754536.db2.gz DZFTZSOQADCRAG-NSHDSACASA-N 1 0 383.315 3.000 20 0 GFADRO [NH3+]CC[C@H]1CCCCN1C(=O)c1c(F)cccc1I ZINC000580304124 564755412 /nfs/dbraw/zinc/75/54/12/564755412.db2.gz ZGXYGBOLQNKZMK-SNVBAGLBSA-N 1 0 376.213 2.774 20 0 GFADRO O=C([C@H]1CC[N@@H+](C[C@H](O)COc2c(Cl)cccc2Cl)C1)N1CCCC1 ZINC000554284493 564755945 /nfs/dbraw/zinc/75/59/45/564755945.db2.gz ROWLJXQNVVYTTI-KBPBESRZSA-N 1 0 387.307 2.677 20 0 GFADRO O[C@@H](C[NH2+]Cc1ccc2c(n1)CCC2)COc1ccccc1Br ZINC000580405247 564756082 /nfs/dbraw/zinc/75/60/82/564756082.db2.gz APXMNLJCVIQQRQ-HNNXBMFYSA-N 1 0 377.282 2.862 20 0 GFADRO C[C@@H]1CN(C2CC2)C[C@H]1[NH2+]C[C@H](CO)Cc1cc(F)cc(Br)c1 ZINC000459685662 564756863 /nfs/dbraw/zinc/75/68/63/564756863.db2.gz AZJFEZQEMRGWAQ-RVZJWNSFSA-N 1 0 385.321 2.812 20 0 GFADRO O=C(NC[C@H]1CCC[NH2+]C1)N1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000580412932 564757298 /nfs/dbraw/zinc/75/72/98/564757298.db2.gz IFWPRXDGIISFEY-BBRMVZONSA-N 1 0 382.302 2.532 20 0 GFADRO Cc1cccc(CC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)c1Br ZINC000527717469 564757391 /nfs/dbraw/zinc/75/73/91/564757391.db2.gz ATWWJQDVWXWVNM-INIZCTEOSA-N 1 0 383.330 2.773 20 0 GFADRO C[C@@H]1C[C@H]([NH2+]C[C@@H](CO)Cc2cc(F)cc(Br)c2)CN1C1CC1 ZINC000459710918 564757526 /nfs/dbraw/zinc/75/75/26/564757526.db2.gz UYKCNYOIWKDQKX-IFIJOSMWSA-N 1 0 385.321 2.954 20 0 GFADRO C[C@H]1CN(S(=O)(=O)c2ccc3ccccc3c2Br)CC[C@@H]1[NH3+] ZINC000580429812 564758631 /nfs/dbraw/zinc/75/86/31/564758631.db2.gz CMUPPQYMSVBQEG-FZMZJTMJSA-N 1 0 383.311 2.960 20 0 GFADRO COc1ccncc1CNC(=O)c1cc(F)ccc1I ZINC000554367699 564758883 /nfs/dbraw/zinc/75/88/83/564758883.db2.gz DZHCIZZOTFBKGT-UHFFFAOYSA-N 1 0 386.164 2.764 20 0 GFADRO CC(C)CN(C(=O)C[NH2+][C@H](C)c1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000459787222 564760676 /nfs/dbraw/zinc/76/06/76/564760676.db2.gz OUARTOMFFLZFAZ-RHSMWYFYSA-N 1 0 386.945 2.662 20 0 GFADRO COc1ccc(C[NH2+]CC(C)(C)C(=O)N2CCCC2)c(Br)c1O ZINC000527813844 564762699 /nfs/dbraw/zinc/76/26/99/564762699.db2.gz VYPUCJYWRMZBGY-UHFFFAOYSA-N 1 0 385.302 2.902 20 0 GFADRO CN(Cc1ccc(Cl)s1)C(=O)C(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000459853089 564762728 /nfs/dbraw/zinc/76/27/28/564762728.db2.gz DKRMMHRHEJUSEF-CQSZACIVSA-N 1 0 383.945 2.550 20 0 GFADRO CC[N@@H+]1CCN(C(=O)[C@@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)[C@H](C)C1 ZINC000580535416 564763123 /nfs/dbraw/zinc/76/31/23/564763123.db2.gz IXAVEKOXMFKAQM-OCCSQVGLSA-N 1 0 384.307 2.899 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)C(=O)N(C)Cc1ccc(Cl)c(Cl)c1 ZINC000459857432 564763808 /nfs/dbraw/zinc/76/38/08/564763808.db2.gz WAPSAHBVYMOPSX-AWEZNQCLSA-N 1 0 386.323 2.895 20 0 GFADRO C[C@@H]([NH2+]CCCn1cc(CO)nn1)c1cc(F)c(Br)cc1F ZINC000527895839 564764327 /nfs/dbraw/zinc/76/43/27/564764327.db2.gz AJFDXHZLQDSJDE-SECBINFHSA-N 1 0 375.217 2.552 20 0 GFADRO C[C@@H]1C[NH2+][C@@H](C)CN1S(=O)(=O)Cc1ccc(Cl)cc1Br ZINC000580563162 564764856 /nfs/dbraw/zinc/76/48/56/564764856.db2.gz DDTQVRZSXHFURD-VHSXEESVSA-N 1 0 381.723 2.615 20 0 GFADRO C[N@@H+]1CCC[C@]2(CCN(C(=O)CNC(=O)c3ccc(Cl)cc3Cl)C2)C1 ZINC000554599542 564767746 /nfs/dbraw/zinc/76/77/46/564767746.db2.gz PCXPOLZJLAGVMQ-SFHVURJKSA-N 1 0 384.307 2.668 20 0 GFADRO CS(=O)(=O)[C@H]1CCCC[C@@H]1[NH2+]CCc1cnc(SC2CCCC2)nc1 ZINC000580633481 564767699 /nfs/dbraw/zinc/76/76/99/564767699.db2.gz MFPQWJCCTWHCEZ-IRXDYDNUSA-N 1 0 383.583 2.999 20 0 GFADRO O=S(=O)(N[C@@H]1CC[NH2+]C12CCC2)c1cc(Cl)ccc1Br ZINC000528051146 564768135 /nfs/dbraw/zinc/76/81/35/564768135.db2.gz IISHKIMNQJXZEL-GFCCVEGCSA-N 1 0 379.707 2.665 20 0 GFADRO C[C@H](Oc1ccc(F)cc1Br)C(=O)N1CC[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000490302223 564768459 /nfs/dbraw/zinc/76/84/59/564768459.db2.gz WOYNFXYJOFQFHE-SLEUVZQESA-N 1 0 385.277 2.908 20 0 GFADRO Cc1csc(C(=O)NC(C)(C)CC[NH+]2CCN(C)CC2)c1Br ZINC000490370482 564769236 /nfs/dbraw/zinc/76/92/36/564769236.db2.gz LGATVDNIABUHJH-UHFFFAOYSA-N 1 0 388.375 2.965 20 0 GFADRO C[C@@H](OC[C@H](O)C[NH2+]CCNC(=O)c1cccs1)c1ccc(Cl)cc1 ZINC000580709691 564769976 /nfs/dbraw/zinc/76/99/76/564769976.db2.gz LISIZNSYROGTFU-CZUORRHYSA-N 1 0 382.913 2.860 20 0 GFADRO [NH3+]Cc1cc(C(=O)N2CCC(Oc3cccc(Br)c3)CC2)ccn1 ZINC000580709250 564770008 /nfs/dbraw/zinc/77/00/08/564770008.db2.gz HEGZVRMXDSRNHK-UHFFFAOYSA-N 1 0 390.281 2.986 20 0 GFADRO C[C@@H](C(=O)NCCCS(=O)(=O)c1ccc(Cl)cc1)[NH+]1[C@H](C)CC[C@H]1C ZINC000554708155 564771159 /nfs/dbraw/zinc/77/11/59/564771159.db2.gz WAGLGINWYUZSIF-KFWWJZLASA-N 1 0 386.945 2.881 20 0 GFADRO CC[C@@H]([NH2+]C[C@@H]1CCCCN1S(=O)(=O)N(C)C)c1cc(F)ccc1F ZINC000554740104 564771888 /nfs/dbraw/zinc/77/18/88/564771888.db2.gz AJKMFBHULHVUCS-WMLDXEAASA-N 1 0 375.485 2.666 20 0 GFADRO CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]CC(=O)N(C)Cc3ccc(Cl)s3)[C@@H]2C1 ZINC000554746165 564772505 /nfs/dbraw/zinc/77/25/05/564772505.db2.gz SGHQMYGKNAAGQN-NUEKZKHPSA-N 1 0 383.945 2.597 20 0 GFADRO CS[C@H]1CN(Cc2cn(-c3ccc(Cl)cc3)nn2)C[C@@H]1[NH+]1CCCC1 ZINC000460359782 564775170 /nfs/dbraw/zinc/77/51/70/564775170.db2.gz BUWZOTNLAJRGCN-ROUUACIJSA-N 1 0 377.945 2.932 20 0 GFADRO Cc1nc(CSc2ccccc2C(=O)N2CCCO[C@@H](C[NH3+])C2)cs1 ZINC000580837264 564776470 /nfs/dbraw/zinc/77/64/70/564776470.db2.gz RQAOLZVMLKFXTE-HNNXBMFYSA-N 1 0 377.535 2.934 20 0 GFADRO C[C@H](NC(=O)NCCOCC[NH+](C)C)c1ccc(Br)cc1F ZINC000460829898 564781349 /nfs/dbraw/zinc/78/13/49/564781349.db2.gz JJZQXLKPIXAAGJ-NSHDSACASA-N 1 0 376.270 2.527 20 0 GFADRO Fc1c(Br)ccc(CN2CC[NH+](C[C@@H]3CCOC3)CC2)c1F ZINC000528400317 564781834 /nfs/dbraw/zinc/78/18/34/564781834.db2.gz WFCGYHICAOIVFA-LBPRGKRZSA-N 1 0 375.257 2.881 20 0 GFADRO C[N@H+](CCNC(=O)NC[C@@H]1CCN(c2ccc(Br)cc2)C1)C1CC1 ZINC000490921733 564783416 /nfs/dbraw/zinc/78/34/16/564783416.db2.gz MBFWFVPGZKJYNA-AWEZNQCLSA-N 1 0 395.345 2.669 20 0 GFADRO CCCN(CC[NH+](CC)CC)S(=O)(=O)c1ccc(C(=O)OC)c(Cl)c1 ZINC000460909294 564783648 /nfs/dbraw/zinc/78/36/48/564783648.db2.gz HKJGTVAZTNHLLB-UHFFFAOYSA-N 1 0 390.933 2.869 20 0 GFADRO CCCN(CC[NH+](CC)CC)S(=O)(=O)c1cc(Cl)ccc1C(=O)OC ZINC000460911417 564783943 /nfs/dbraw/zinc/78/39/43/564783943.db2.gz LQUIPDBDPGVXQA-UHFFFAOYSA-N 1 0 390.933 2.869 20 0 GFADRO CSC1(CNC(=O)N[C@@H](C)[C@H]2OCCc3sccc32)CC[NH+](C)CC1 ZINC000491078567 564786080 /nfs/dbraw/zinc/78/60/80/564786080.db2.gz PEWRIRKERJMDII-XJKSGUPXSA-N 1 0 383.583 2.877 20 0 GFADRO CC(C)[NH2+]C1(CO)CCN(CCC(=O)Nc2ccccc2Br)CC1 ZINC000581079802 564786512 /nfs/dbraw/zinc/78/65/12/564786512.db2.gz IPLVWBUHRIYOAA-UHFFFAOYSA-N 1 0 398.345 2.603 20 0 GFADRO COCC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)[C@H](O)c2cc(Cl)cc(Cl)c2)C1 ZINC000528470319 564786944 /nfs/dbraw/zinc/78/69/44/564786944.db2.gz DTOPYVYVLFXAHI-HZPDHXFCSA-N 1 0 389.323 2.890 20 0 GFADRO O=S(=O)(Cc1ccc(Br)cc1)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000581072206 564787057 /nfs/dbraw/zinc/78/70/57/564787057.db2.gz TUGIWXAFMGVGBP-LSDHHAIUSA-N 1 0 387.343 2.600 20 0 GFADRO O=C(N[C@@H](CO)C[NH+]1CCCCC1)C1(c2ccc(Br)cc2)CCC1 ZINC000581098796 564788029 /nfs/dbraw/zinc/78/80/29/564788029.db2.gz LBPJPUBZCIOPGC-QGZVFWFLSA-N 1 0 395.341 2.834 20 0 GFADRO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1CCN(c2ccccc2Br)C1=O ZINC000461035514 564788346 /nfs/dbraw/zinc/78/83/46/564788346.db2.gz ACKKDVZHHWAWNF-ZIAGYGMSSA-N 1 0 396.329 2.647 20 0 GFADRO Cc1onc(-c2cccc(Br)c2)c1C(=O)NCCOCC[NH+](C)C ZINC000581156742 564790623 /nfs/dbraw/zinc/79/06/23/564790623.db2.gz FRDYOCYTUSJCFF-UHFFFAOYSA-N 1 0 396.285 2.721 20 0 GFADRO C[C@@H](Oc1cccc(Br)c1)C(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1 ZINC000461116924 564790770 /nfs/dbraw/zinc/79/07/70/564790770.db2.gz ZDRXRXWPFZGFBF-PBHICJAKSA-N 1 0 399.329 2.786 20 0 GFADRO [NH3+]CC[C@@H]1CCCCN1S(=O)(=O)c1cc(Cl)ccc1Br ZINC000581190858 564792594 /nfs/dbraw/zinc/79/25/94/564792594.db2.gz BDUDKSPSGGUOMI-NSHDSACASA-N 1 0 381.723 2.995 20 0 GFADRO O=C(NC[C@@]1(O)C[NH+]2CCC1CC2)C1(c2c(Cl)cccc2Cl)CCC1 ZINC000581261765 564795355 /nfs/dbraw/zinc/79/53/55/564795355.db2.gz KLNWYOPGGYTDLL-LJQANCHMSA-N 1 0 383.319 2.988 20 0 GFADRO O=C([C@@H]1C[C@H]1c1csc(Br)c1)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000528662890 564799920 /nfs/dbraw/zinc/79/99/20/564799920.db2.gz NWNQERQSRSRBHL-VHDGCEQUSA-N 1 0 399.354 2.795 20 0 GFADRO C[C@H](NC(=O)Nc1ccc2c(c1)OCC[NH2+]C2)c1ncc(Br)cn1 ZINC000528704238 564801793 /nfs/dbraw/zinc/80/17/93/564801793.db2.gz GYYLNAIUCLDNHC-JTQLQIEISA-N 1 0 392.257 2.604 20 0 GFADRO C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[NH2+]CC(=O)N(C)Cc1cc(Br)cs1 ZINC000528754413 564803222 /nfs/dbraw/zinc/80/32/22/564803222.db2.gz DFJKJEXXBPYAPK-JNIYBQFBSA-N 1 0 375.332 2.871 20 0 GFADRO C[C@]1(CO)CN(Cc2cccc(Br)c2OC(F)F)C[C@@]1(C)CO ZINC000528753212 564803321 /nfs/dbraw/zinc/80/33/21/564803321.db2.gz VCAOKMYUHPSCIB-IYBDPMFKSA-N 1 0 394.256 2.863 20 0 GFADRO Cc1nc(CNC(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)sc1Br ZINC000581538481 564807409 /nfs/dbraw/zinc/80/74/09/564807409.db2.gz IEVYPQOFIAYZIP-VXGBXAGGSA-N 1 0 387.347 2.745 20 0 GFADRO C[C@H]1CCCN(CCNc2c(Br)cccc2S(C)(=O)=O)C1 ZINC000555894732 564807602 /nfs/dbraw/zinc/80/76/02/564807602.db2.gz SKWVKAGFNJPYSM-LBPRGKRZSA-N 1 0 375.332 2.996 20 0 GFADRO C[NH+](C)CC1CCC(NC(=O)C(=O)NCc2cccc(Cl)c2Cl)CC1 ZINC000555941988 564808597 /nfs/dbraw/zinc/80/85/97/564808597.db2.gz KODFCZFQLXGLCA-UHFFFAOYSA-N 1 0 386.323 2.846 20 0 GFADRO COc1cc(Br)c(C[NH2+][C@@H]2CCOC3(CCOCC3)C2)cc1O ZINC000493688508 564810196 /nfs/dbraw/zinc/81/01/96/564810196.db2.gz OJQADOUNYZERIJ-CYBMUJFWSA-N 1 0 386.286 2.981 20 0 GFADRO COCC[NH2+]C1CCN(C(=O)[C@@H](C)Oc2ccc(C)cc2Br)CC1 ZINC000581614801 564810601 /nfs/dbraw/zinc/81/06/01/564810601.db2.gz ITMYIYRFRMRYDL-CQSZACIVSA-N 1 0 399.329 2.752 20 0 GFADRO COCC[NH2+]C1CCN(C(=O)[C@H](C)Oc2ccc(C)cc2Br)CC1 ZINC000581614800 564811125 /nfs/dbraw/zinc/81/11/25/564811125.db2.gz ITMYIYRFRMRYDL-AWEZNQCLSA-N 1 0 399.329 2.752 20 0 GFADRO C[C@@]1(Br)C[C@@H]1C(=O)NCCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000528962329 564811807 /nfs/dbraw/zinc/81/18/07/564811807.db2.gz DFJQCGQSNGACAM-IEBWSBKVSA-N 1 0 395.341 2.993 20 0 GFADRO Cc1cc(Br)cc2c1[C@@H]([NH2+]C1CCN(CC(=O)N(C)C)CC1)CC2 ZINC000493916616 564812700 /nfs/dbraw/zinc/81/27/00/564812700.db2.gz LOMDJKVLXBALOV-KRWDZBQOSA-N 1 0 394.357 2.887 20 0 GFADRO C[C@H](CNC(=O)C(=O)NCc1c(Cl)cccc1Cl)[N@@H+]1CCC[C@@H](C)C1 ZINC000556135470 564813386 /nfs/dbraw/zinc/81/33/86/564813386.db2.gz JDVPTFPRGUODHR-CHWSQXEVSA-N 1 0 386.323 2.846 20 0 GFADRO Cc1cc(Br)cc2c1[C@@H]([NH2+]CCCN1CCC[C@H]1C(N)=O)CC2 ZINC000493962517 564815147 /nfs/dbraw/zinc/81/51/47/564815147.db2.gz UYQQGQLSKTYCMJ-HOTGVXAUSA-N 1 0 380.330 2.674 20 0 GFADRO C[C@H]1CC[N@H+](CC(=O)N2CCN(Cc3cccc(Cl)c3)CC2)CCS1 ZINC000494115646 564816789 /nfs/dbraw/zinc/81/67/89/564816789.db2.gz IHFKGPPVHPLANI-INIZCTEOSA-N 1 0 381.973 2.812 20 0 GFADRO CSc1cc(N2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)nc(SC)n1 ZINC000581834990 564819886 /nfs/dbraw/zinc/81/98/86/564819886.db2.gz IOYUMBMFGPOQSX-HUUCEWRRSA-N 1 0 381.615 2.915 20 0 GFADRO C[C@@H]1C[C@H](NS(=O)(=O)CCc2ccccc2Br)C[N@@H+]1C1CC1 ZINC000462112688 564820317 /nfs/dbraw/zinc/82/03/17/564820317.db2.gz PDRQPRBWIOBYMY-OCCSQVGLSA-N 1 0 387.343 2.536 20 0 GFADRO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000556364044 564820667 /nfs/dbraw/zinc/82/06/67/564820667.db2.gz SAQDNNJQINDOJO-HZPDHXFCSA-N 1 0 384.307 2.695 20 0 GFADRO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000556364045 564820674 /nfs/dbraw/zinc/82/06/74/564820674.db2.gz SAQDNNJQINDOJO-JKSUJKDBSA-N 1 0 384.307 2.695 20 0 GFADRO CC[NH+](CC)C[C@@H](C)NC(=O)Nc1cccc(C(=O)NC)c1Br ZINC000494362676 564826801 /nfs/dbraw/zinc/82/68/01/564826801.db2.gz BYDXFXBMQWJKCB-LLVKDONJSA-N 1 0 385.306 2.661 20 0 GFADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)Nc1cccc2cccc(Br)c21 ZINC000529267798 564827741 /nfs/dbraw/zinc/82/77/41/564827741.db2.gz BHYRRGHYLMBPPC-AWEZNQCLSA-N 1 0 391.313 2.970 20 0 GFADRO CS[C@@H]1CN(S(=O)(=O)c2ccc(C)c(C(F)(F)F)c2)C[C@@H]1[NH+](C)C ZINC000556479518 564828064 /nfs/dbraw/zinc/82/80/64/564828064.db2.gz CIRIYVCVHGYXLZ-UONOGXRCSA-N 1 0 382.473 2.680 20 0 GFADRO O[C@H](COc1cc(F)cc(Br)c1)C[N@@H+]1CCC[C@H]1[C@@H]1CCCO1 ZINC000556522373 564828823 /nfs/dbraw/zinc/82/88/23/564828823.db2.gz ZTOBVNKULLTRFC-XIRDDKMYSA-N 1 0 388.277 2.971 20 0 GFADRO O=C(N[C@@H](c1cncc(Br)c1)C1CC1)N[C@@H]1CC[NH2+]C12CCC2 ZINC000529329042 564828977 /nfs/dbraw/zinc/82/89/77/564828977.db2.gz IZEXLTJTRVINEC-HUUCEWRRSA-N 1 0 379.302 2.879 20 0 GFADRO O=S1(=O)CCC(O)(C[NH2+][C@H](c2cccc(C(F)(F)F)c2)C2CC2)CC1 ZINC000582077859 564830517 /nfs/dbraw/zinc/83/05/17/564830517.db2.gz IRPXJHCATWQQMZ-HNNXBMFYSA-N 1 0 377.428 2.686 20 0 GFADRO C[C@H](NC(=O)N1CCCO[C@H](C[NH3+])C1)c1cc(F)c(Br)cc1F ZINC000529346849 564830618 /nfs/dbraw/zinc/83/06/18/564830618.db2.gz FQQGBPOJKDCKKO-VHSXEESVSA-N 1 0 392.244 2.548 20 0 GFADRO O=C(NC[C@@H]1COCC[NH2+]1)N(Cc1ccccc1Br)C1CCCC1 ZINC000529375195 564831892 /nfs/dbraw/zinc/83/18/92/564831892.db2.gz IRQWCRLCQCYJGG-OAHLLOKOSA-N 1 0 396.329 2.892 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)NCc3ccc(Br)c(F)c3F)C[C@H]21 ZINC000529369055 564832085 /nfs/dbraw/zinc/83/20/85/564832085.db2.gz GEQJRNMCJDVKQZ-NQBHXWOUSA-N 1 0 388.256 2.996 20 0 GFADRO CC[C@@H]1CN(CC[NH2+][C@H](C)CC(=O)Nc2cccc(Br)c2)CCO1 ZINC000494511766 564832449 /nfs/dbraw/zinc/83/24/49/564832449.db2.gz ITHOPFDMSWCGRM-RHSMWYFYSA-N 1 0 398.345 2.867 20 0 GFADRO COc1cc(I)ccc1NC(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000582301251 564840128 /nfs/dbraw/zinc/84/01/28/564840128.db2.gz ZBDWDMJTCBGCLT-BDAKNGLRSA-N 1 0 377.226 2.547 20 0 GFADRO Cc1nc(CNC(=O)N2CCc3ccccc3[C@H]2C[NH3+])sc1Br ZINC000582179432 564834209 /nfs/dbraw/zinc/83/42/09/564834209.db2.gz FNIOWORFXMPFLH-CYBMUJFWSA-N 1 0 395.326 2.982 20 0 GFADRO C[NH+]1CCC(N(Cc2ccccc2Br)C(=O)c2cccnn2)CC1 ZINC000529405591 564834348 /nfs/dbraw/zinc/83/43/48/564834348.db2.gz STKKEAFXPBQXOU-UHFFFAOYSA-N 1 0 389.297 2.976 20 0 GFADRO Cc1ccsc1[C@H](CO)[NH2+]CC(=O)N(C)CCOc1ccc(Cl)cc1 ZINC000494686752 564837335 /nfs/dbraw/zinc/83/73/35/564837335.db2.gz AVWKVAAHURSVQR-INIZCTEOSA-N 1 0 382.913 2.870 20 0 GFADRO Cc1cc(I)ccc1NC(=O)C[NH2+][C@@H](C)c1cn[nH]c1 ZINC000494697343 564837403 /nfs/dbraw/zinc/83/74/03/564837403.db2.gz CJXVODZVNOEUPL-JTQLQIEISA-N 1 0 384.221 2.612 20 0 GFADRO Cc1ccc(Br)c(C)c1C(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000556770646 564838903 /nfs/dbraw/zinc/83/89/03/564838903.db2.gz ICEFROQWHLRCNQ-ZDUSSCGKSA-N 1 0 383.330 2.983 20 0 GFADRO C[NH+](C)CCOc1cnccc1CNC(=O)c1ccc(Cl)c(N)c1Cl ZINC000494752966 564839049 /nfs/dbraw/zinc/83/90/49/564839049.db2.gz NCWDJUVEXNAEPR-UHFFFAOYSA-N 1 0 383.279 2.841 20 0 GFADRO O=C(NCC1([NH+]2CCSCC2)CCCC1)[C@H](CO)c1ccc(Cl)cc1 ZINC000556782008 564839996 /nfs/dbraw/zinc/83/99/96/564839996.db2.gz NQGFNWSDMLFQNZ-QGZVFWFLSA-N 1 0 382.957 2.894 20 0 GFADRO CNC(=O)[C@H]1CCC[N@H+](Cc2c[nH]nc2-c2ccc(Br)s2)C1 ZINC000529536049 564841277 /nfs/dbraw/zinc/84/12/77/564841277.db2.gz XPXNJCQKPJMHAA-JTQLQIEISA-N 1 0 383.315 2.859 20 0 GFADRO C[N@H+](Cc1c[nH]nc1-c1ccc(Br)s1)CC1(O)CCOCC1 ZINC000529552447 564841910 /nfs/dbraw/zinc/84/19/10/564841910.db2.gz QGINJBZYPJKNQW-UHFFFAOYSA-N 1 0 386.315 2.874 20 0 GFADRO Cc1nc(NC(=O)C(=O)NC[C@@H](c2ccc(Cl)cc2)[NH+](C)C)sc1C ZINC000582338689 564841989 /nfs/dbraw/zinc/84/19/89/564841989.db2.gz VTAUSYQRNHKYTF-AWEZNQCLSA-N 1 0 380.901 2.771 20 0 GFADRO C[C@H](CC(=O)N1CCN(CCO)[C@H](C)C1)c1ccc(F)c(Br)c1 ZINC000462484110 564842424 /nfs/dbraw/zinc/84/24/24/564842424.db2.gz IKUIJXFXMWSPHF-CHWSQXEVSA-N 1 0 387.293 2.607 20 0 GFADRO CC(=O)c1cc(Br)ccc1OCC(=O)NC[C@H](C)[NH+]1CCCC1 ZINC000556824906 564843220 /nfs/dbraw/zinc/84/32/20/564843220.db2.gz QQXBCPLNZPZWAU-LBPRGKRZSA-N 1 0 383.286 2.631 20 0 GFADRO O=S(=O)(c1cccs1)N1CC[C@@H](C[NH2+]Cc2c(F)ccc(O)c2F)C1 ZINC000556857375 564843895 /nfs/dbraw/zinc/84/38/95/564843895.db2.gz VRVMCZGSLXYFFO-NSHDSACASA-N 1 0 388.461 2.532 20 0 GFADRO COCC1(C[NH2+]C[C@@H](O)COc2cc(Cl)ccc2Cl)CCOCC1 ZINC000582416301 564845437 /nfs/dbraw/zinc/84/54/37/564845437.db2.gz HOFIDCYTKZDNDL-CQSZACIVSA-N 1 0 378.296 2.766 20 0 GFADRO CC[NH+](CC)CCCNC(=O)N(CCO)Cc1cc(Br)cs1 ZINC000495031781 564846739 /nfs/dbraw/zinc/84/67/39/564846739.db2.gz TWZKNBUEBQZEBI-UHFFFAOYSA-N 1 0 392.363 2.746 20 0 GFADRO CC[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C(C)(C)C)C[C@H]2C(F)(F)F)C[C@H](C)[S@@]1=O ZINC000556937036 564847739 /nfs/dbraw/zinc/84/77/39/564847739.db2.gz VVBWWCDCHQYIPA-RXEWCHQCSA-N 1 0 382.492 2.653 20 0 GFADRO C[C@@H](C(=O)N1CCC([N@@H+](C)C[C@H](C)O)CC1)c1cccc(Br)c1 ZINC000462557098 564848688 /nfs/dbraw/zinc/84/86/88/564848688.db2.gz XOJXFFGALUOVSQ-UONOGXRCSA-N 1 0 383.330 2.856 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)C(=O)N[C@H](c1cccs1)C1CC1)c1cccs1 ZINC000582500367 564848912 /nfs/dbraw/zinc/84/89/12/564848912.db2.gz KCNLBZNPXBTIPU-BBRMVZONSA-N 1 0 377.535 2.796 20 0 GFADRO COc1cc(NC(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)cc(OC)c1Br ZINC000556982180 564849682 /nfs/dbraw/zinc/84/96/82/564849682.db2.gz YXQHLWDVBUBHSQ-JQWIXIFHSA-N 1 0 384.274 2.682 20 0 GFADRO Cc1nccc(NC(=O)N2CCCC[C@H]2[C@H]2CCC[NH2+]C2)c1Br ZINC000556995401 564849693 /nfs/dbraw/zinc/84/96/93/564849693.db2.gz QHYONSXGDBHZOF-ZFWWWQNUSA-N 1 0 381.318 2.960 20 0 GFADRO CS[C@@H]1CN(C(=O)c2cnn(Cc3ccccc3Cl)c2)C[C@@H]1[NH+](C)C ZINC000495581044 564855970 /nfs/dbraw/zinc/85/59/70/564855970.db2.gz SWDWMHXGSAFJLK-DLBZAZTESA-N 1 0 378.929 2.702 20 0 GFADRO CS[C@H]1CN(C(=O)c2ccnc(SCC(F)(F)F)c2)C[C@H]1[NH+](C)C ZINC000495713795 564857261 /nfs/dbraw/zinc/85/72/61/564857261.db2.gz SDJFZNBSTZOYAO-NEPJUHHUSA-N 1 0 379.473 2.854 20 0 GFADRO CC[C@@H](C)[N@H+](C)CCNc1ncnc2ccc(I)cc21 ZINC000462813196 564858773 /nfs/dbraw/zinc/85/87/73/564858773.db2.gz QPEJWUQDINDQDD-LLVKDONJSA-N 1 0 384.265 3.377 20 0 GFADRO O=C(NC[C@@H]1CC[N@@H+]1C1CCCC1)c1cc(Br)c2c(c1)OCCO2 ZINC000530023811 564860506 /nfs/dbraw/zinc/86/05/06/564860506.db2.gz HTAHDJQGYLTZLZ-AWEZNQCLSA-N 1 0 395.297 2.967 20 0 GFADRO COCC[N@@H+]1CC[C@H](NC(=O)Nc2cc(Br)c(C)cc2OC)C1 ZINC000462873308 564861389 /nfs/dbraw/zinc/86/13/89/564861389.db2.gz XOXPRVOKCAYLAO-LBPRGKRZSA-N 1 0 386.290 2.608 20 0 GFADRO CCOc1c(Br)cc(C(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)cc1OC ZINC000462898409 564862425 /nfs/dbraw/zinc/86/24/25/564862425.db2.gz VRDDSIJUNNWBRD-DZGCQCFKSA-N 1 0 397.313 2.974 20 0 GFADRO COc1cc(Br)c(C[NH2+][C@H]2CCO[C@@H](c3ccnn3C)C2)cc1O ZINC000582826063 564863195 /nfs/dbraw/zinc/86/31/95/564863195.db2.gz GOLAQCZUYNXQNU-BLLLJJGKSA-N 1 0 396.285 2.907 20 0 GFADRO C[C@H](C[C@H](C)[NH3+])NC(=O)NCc1ccc(I)c(Cl)c1 ZINC000582844241 564864636 /nfs/dbraw/zinc/86/46/36/564864636.db2.gz ZEBNWKBRTKYTTK-DTWKUNHWSA-N 1 0 395.672 2.870 20 0 GFADRO CC(=O)N1CCC([NH2+][C@H](C)c2ccc(Br)cc2OCCCO)CC1 ZINC000462963593 564864818 /nfs/dbraw/zinc/86/48/18/564864818.db2.gz HJXHZSPPAQMUOF-CYBMUJFWSA-N 1 0 399.329 2.872 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)c1nc2ccc(Br)cn2n1)c1ccccc1 ZINC000582871382 564865405 /nfs/dbraw/zinc/86/54/05/564865405.db2.gz GTVPIJZBOBKLQP-AWEZNQCLSA-N 1 0 388.269 2.525 20 0 GFADRO C[NH+](C)CCN1CCN(C(=O)C2(c3ccc(Br)cc3)CCC2)CC1 ZINC000497513085 564869355 /nfs/dbraw/zinc/86/93/55/564869355.db2.gz HIRZCCXYPQFLFE-UHFFFAOYSA-N 1 0 394.357 2.577 20 0 GFADRO Cc1ccc(Br)c(S(=O)(=O)NCC[NH+]2CCCCCC2)c1 ZINC000497537404 564870433 /nfs/dbraw/zinc/87/04/33/564870433.db2.gz HDNJGPZKYZZVEP-UHFFFAOYSA-N 1 0 375.332 2.912 20 0 GFADRO Cc1nc(NC(=O)C[C@@H](C)C2CC[NH2+]CC2)ccc1I ZINC000463142840 564870525 /nfs/dbraw/zinc/87/05/25/564870525.db2.gz GFYCRERCOYQJNE-SNVBAGLBSA-N 1 0 387.265 2.959 20 0 GFADRO Cc1nc(NC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)ccc1I ZINC000463146025 564871043 /nfs/dbraw/zinc/87/10/43/564871043.db2.gz SANNMIPLJGCOHE-WXHSDQCUSA-N 1 0 385.249 2.854 20 0 GFADRO CN1C(=O)c2ccccc2[C@H]1C[NH2+]C[C@H](O)c1cccc(Br)c1 ZINC000530243913 564873364 /nfs/dbraw/zinc/87/33/64/564873364.db2.gz LZZUXNVYFUSJRH-SJORKVTESA-N 1 0 375.266 2.899 20 0 GFADRO COCCOC[C@H](C)[NH2+]Cc1cc(Br)cc(Br)c1N ZINC000463241482 564873870 /nfs/dbraw/zinc/87/38/70/564873870.db2.gz CAKWLBWZDZQNGY-VIFPVBQESA-N 1 0 396.123 2.935 20 0 GFADRO CS[C@@H]1CN(CC(=O)Nc2ccc(OC(F)F)c(Cl)c2)C[C@@H]1[NH+](C)C ZINC000557724922 564874032 /nfs/dbraw/zinc/87/40/32/564874032.db2.gz ACVUSKYPWPPHAN-GXTWGEPZSA-N 1 0 393.887 2.857 20 0 GFADRO C[C@@H](CCc1ccc(Br)cc1)[NH2+]C1CCC2(CC1)NC(=O)NC2=O ZINC000557734177 564874312 /nfs/dbraw/zinc/87/43/12/564874312.db2.gz SEVQJSAPKRHHFS-RTYYOJRZSA-N 1 0 394.313 2.881 20 0 GFADRO Cc1cc(NC(=O)N[C@@H](CO)c2ccc(Br)c(F)c2)c(C)cn1 ZINC000583067270 564874894 /nfs/dbraw/zinc/87/48/94/564874894.db2.gz GKQKBXFKKPFIMH-HNNXBMFYSA-N 1 0 382.233 2.877 20 0 GFADRO CC[N@@H+]1CCC[C@@H](CNS(=O)(=O)Cc2ccccc2Br)C1 ZINC000557813298 564877749 /nfs/dbraw/zinc/87/77/49/564877749.db2.gz AAMZWPQVEQBHNJ-ZDUSSCGKSA-N 1 0 375.332 2.600 20 0 GFADRO O=S(=O)(NCC[NH2+][C@@H]1CCCC[C@H]1[C@@H]1CCOC1)c1cccc(Cl)c1 ZINC000583178282 564879422 /nfs/dbraw/zinc/87/94/22/564879422.db2.gz HUVXTOIPKHYVMY-FHLIZLRMSA-N 1 0 386.945 2.803 20 0 GFADRO C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+]CC1(S(C)(=O)=O)CC1 ZINC000530418894 564880756 /nfs/dbraw/zinc/88/07/56/564880756.db2.gz IZCYAQZXAXBGTM-LLVKDONJSA-N 1 0 378.416 2.589 20 0 GFADRO CSc1ccc(S(=O)(=O)N2CCC([N@H+](C)C[C@H](C)O)CC2)cc1Cl ZINC000463524826 564883471 /nfs/dbraw/zinc/88/34/71/564883471.db2.gz JCQWTWXGGNOUNS-LBPRGKRZSA-N 1 0 392.974 2.528 20 0 GFADRO C[C@H](CC(=O)Nc1nn(CC(F)(F)F)cc1Br)n1ccnc1 ZINC000583266832 564883442 /nfs/dbraw/zinc/88/34/42/564883442.db2.gz YANAHJNGESHSGN-MRVPVSSYSA-N 1 0 380.168 2.994 20 0 GFADRO O[C@H](C[NH2+][C@@H]1CCN(c2ncccc2Cl)C1)COc1ccc(Cl)cc1 ZINC000583376604 564888543 /nfs/dbraw/zinc/88/85/43/564888543.db2.gz WGUYPPIEORPHMI-HUUCEWRRSA-N 1 0 382.291 2.997 20 0 GFADRO C[NH+](C)[C@@]1(CNC(=O)C2=Cc3cc(Br)ccc3OC2)CCSC1 ZINC000530651357 564890550 /nfs/dbraw/zinc/89/05/50/564890550.db2.gz RUCJKKBSOPFDOY-QGZVFWFLSA-N 1 0 397.338 2.778 20 0 GFADRO Cc1cc(C)c(NC(=O)N2CC[N@@H+](C[C@@H](C)O)C[C@H]2C)c(Br)c1 ZINC000498193596 564891168 /nfs/dbraw/zinc/89/11/68/564891168.db2.gz AJOUHYDKMAVZQO-ZIAGYGMSSA-N 1 0 384.318 2.985 20 0 GFADRO CC[C@@H](C)[N@H+](CCO)CC(=O)Nc1c(Cl)cc(Cl)cc1C(=O)OC ZINC000558146860 564893801 /nfs/dbraw/zinc/89/38/01/564893801.db2.gz PLWWAUWYPDDPSC-SNVBAGLBSA-N 1 0 377.268 2.811 20 0 GFADRO CC(C)[N@@H+]1CCO[C@@H](C(=O)NCCCc2ccc(Br)cc2F)C1 ZINC000498332476 564896148 /nfs/dbraw/zinc/89/61/48/564896148.db2.gz BJLXLIVZOFJOJO-MRXNPFEDSA-N 1 0 387.293 2.746 20 0 GFADRO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]C[C@@H](CO)c1cccnc1 ZINC000558274964 564897148 /nfs/dbraw/zinc/89/71/48/564897148.db2.gz DRBGRZUHRWCPDW-HIFRSBDPSA-N 1 0 392.297 2.927 20 0 GFADRO C[S@](=O)Cc1cc(NC(=O)c2cnn([C@@H]3CCC[NH2+]C3)c2)ccc1Cl ZINC000583562185 564897465 /nfs/dbraw/zinc/89/74/65/564897465.db2.gz FFNJDHSEYWSNRH-BZQUYTCOSA-N 1 0 380.901 2.592 20 0 GFADRO CC1(C)[C@H](O)C[C@@H]1[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000583565305 564897742 /nfs/dbraw/zinc/89/77/42/564897742.db2.gz ZETNUXMFZLWOLW-DDTOSNHZSA-N 1 0 378.694 2.591 20 0 GFADRO CC(C)(O)C[N@H+](Cc1cc2c(c(Br)c1)OCO2)C1CCOCC1 ZINC000530939250 564898108 /nfs/dbraw/zinc/89/81/08/564898108.db2.gz HYWFPMDBQBYEFG-UHFFFAOYSA-N 1 0 386.286 2.930 20 0 GFADRO CC[NH+]1CCC(CNC(=O)C(=O)Nc2cccc(Br)c2C)CC1 ZINC000558401295 564899908 /nfs/dbraw/zinc/89/99/08/564899908.db2.gz JAESZUHDOUDUTL-UHFFFAOYSA-N 1 0 382.302 2.544 20 0 GFADRO CC[NH+](CC)CCN(C(=O)c1cc(C)ncn1)c1ccc(Br)cn1 ZINC000583634018 564900330 /nfs/dbraw/zinc/90/03/30/564900330.db2.gz GCENLNFHIDFYLP-UHFFFAOYSA-N 1 0 392.301 2.931 20 0 GFADRO Cc1cc(N2C[C@H](C(=O)N[C@@H](C)CC[NH+](C)C)CC2=O)ccc1Br ZINC000498644666 564904205 /nfs/dbraw/zinc/90/42/05/564904205.db2.gz GWOGMTZCVAILQQ-UONOGXRCSA-N 1 0 396.329 2.567 20 0 GFADRO COC(=O)c1cc(NC(=O)N(C)CCC[NH+](C)C)c(C)cc1Br ZINC000558498943 564904552 /nfs/dbraw/zinc/90/45/52/564904552.db2.gz BFNRDJJPUZCAOU-UHFFFAOYSA-N 1 0 386.290 2.960 20 0 GFADRO C[C@H](CNC(=O)C(=O)Nc1cc(Cl)ccc1C(F)(F)F)[NH+]1CCCC1 ZINC000558541988 564905097 /nfs/dbraw/zinc/90/50/97/564905097.db2.gz MDUPLONPZJZNIH-SNVBAGLBSA-N 1 0 377.794 2.898 20 0 GFADRO CCCC[N@H+](C)CCNC(=O)C(=O)Nc1nc(-c2ccc(C)s2)cs1 ZINC000498658266 564905284 /nfs/dbraw/zinc/90/52/84/564905284.db2.gz NVWGKMAEOZNXIW-UHFFFAOYSA-N 1 0 380.539 2.967 20 0 GFADRO CCn1c(SCC(=O)N2CC[N@H+](C)CC[C@@H]2C)nnc1-c1cccs1 ZINC000498737204 564907180 /nfs/dbraw/zinc/90/71/80/564907180.db2.gz MQYQXPCJDLUWFA-ZDUSSCGKSA-N 1 0 379.555 2.671 20 0 GFADRO CC[NH+](CC)CCCNC(=O)C(=O)N[C@@H]1CCSc2ccc(Cl)cc21 ZINC000583769813 564907209 /nfs/dbraw/zinc/90/72/09/564907209.db2.gz WOGGTBBLQAVVSV-OAHLLOKOSA-N 1 0 383.945 2.841 20 0 GFADRO C[C@@H]1CC[N@H+](C)CCN1C(=O)CCNC(=O)Nc1ccc(Br)cc1 ZINC000498731403 564907457 /nfs/dbraw/zinc/90/74/57/564907457.db2.gz STIYYALBMUDKQA-CYBMUJFWSA-N 1 0 397.317 2.513 20 0 GFADRO CSC1(CNC(=O)c2[nH]nc(C(C)C)c2Br)CC[NH+](C)CC1 ZINC000558610130 564909140 /nfs/dbraw/zinc/90/91/40/564909140.db2.gz OLELOOXAILZUGU-UHFFFAOYSA-N 1 0 389.363 2.853 20 0 GFADRO COC(=O)c1cc(Br)cc(C(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)c1 ZINC000464557086 564910927 /nfs/dbraw/zinc/91/09/27/564910927.db2.gz UEKYKQVHADKQFE-NSHDSACASA-N 1 0 381.270 2.616 20 0 GFADRO CC[NH+](CC)C[C@@H](C)NC(=O)NCC(=O)Nc1cc(Br)ccc1C ZINC000531485068 564911275 /nfs/dbraw/zinc/91/12/75/564911275.db2.gz IGDFXAIKQUPFLZ-CYBMUJFWSA-N 1 0 399.333 2.726 20 0 GFADRO CC[NH+]1CCC(CNC(=O)C(C)(C)S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000583890346 564911633 /nfs/dbraw/zinc/91/16/33/564911633.db2.gz DWOPWUPOISSJFX-UHFFFAOYSA-N 1 0 386.945 2.740 20 0 GFADRO C[C@@H]1CCC[N@H+](CC(=O)N(C)Cc2cc(Br)cs2)[C@H]1CO ZINC000498958805 564914644 /nfs/dbraw/zinc/91/46/44/564914644.db2.gz VMIGINUIXVWMEZ-RISCZKNCSA-N 1 0 375.332 2.562 20 0 GFADRO C[C@H]([NH2+]CC1(O)CCS(=O)(=O)CC1)c1ccc(SCC(F)F)cc1 ZINC000583985304 564914875 /nfs/dbraw/zinc/91/48/75/564914875.db2.gz HULSRRWCCVSYIY-LBPRGKRZSA-N 1 0 379.494 2.634 20 0 GFADRO C[N@H+]1CC=C(CNC(=O)Nc2ccc3nccnc3c2Br)CC1 ZINC000584012637 564917223 /nfs/dbraw/zinc/91/72/23/564917223.db2.gz ULSDCKAMFWUPFQ-UHFFFAOYSA-N 1 0 376.258 2.776 20 0 GFADRO CC[C@@H](CO)[NH+]1CCN(CCOc2ccc(Cl)cc2Br)CC1 ZINC000464765302 564917574 /nfs/dbraw/zinc/91/75/74/564917574.db2.gz KXRCIUOOODGKSI-AWEZNQCLSA-N 1 0 391.737 2.870 20 0 GFADRO C[NH+]1CCC(CCO)(NC(=O)[C@H]2C[C@H]2c2cccc(Br)c2)CC1 ZINC000499127857 564919457 /nfs/dbraw/zinc/91/94/57/564919457.db2.gz SDSOZCHSTNUYCY-HOTGVXAUSA-N 1 0 381.314 2.516 20 0 GFADRO COc1ccc(Br)cc1C(=O)CCC(=O)N1CCC[C@@H]1C[NH+](C)C ZINC000464936547 564921604 /nfs/dbraw/zinc/92/16/04/564921604.db2.gz VWBLMPSMCHRHOI-CQSZACIVSA-N 1 0 397.313 2.973 20 0 GFADRO C[N@@H+]1CCC[C@]2(CCN(S(=O)(=O)c3ccccc3OC(F)(F)F)C2)C1 ZINC000559131544 564922746 /nfs/dbraw/zinc/92/27/46/564922746.db2.gz KZNFKGABEOFITF-HNNXBMFYSA-N 1 0 378.416 2.692 20 0 GFADRO C[C@H](CNC(=O)c1cc(Br)cnc1N(C)C)[N@@H+]1CCCC[C@@H]1C ZINC000499390534 564925762 /nfs/dbraw/zinc/92/57/62/564925762.db2.gz PFRIUXUJXFQQQG-QWHCGFSZSA-N 1 0 383.334 2.903 20 0 GFADRO CS[C@H]1CN(C(=O)Cc2ccc(Br)cc2O)C[C@@H]1[NH+]1CCCC1 ZINC000499399217 564926309 /nfs/dbraw/zinc/92/63/09/564926309.db2.gz CZNDESDIJDEZMO-HOCLYGCPSA-N 1 0 399.354 2.735 20 0 GFADRO Cc1ccc([C@@H](CNC(=O)Cn2cc(Br)cn2)[NH+]2CCCC2)cc1 ZINC000499417874 564927058 /nfs/dbraw/zinc/92/70/58/564927058.db2.gz CHYZQXKDOSMYPS-QGZVFWFLSA-N 1 0 391.313 2.907 20 0 GFADRO COC(=O)CC[N@H+](CCN1CCOC[C@H]1C)Cc1cccc(Br)c1 ZINC000499708023 564934633 /nfs/dbraw/zinc/93/46/33/564934633.db2.gz PHBQMXCNGQSKJV-OAHLLOKOSA-N 1 0 399.329 2.535 20 0 GFADRO Cc1cc(C(=O)NC2(CCO)CC[NH+](C)CC2)cc(Cl)c1Br ZINC000559619477 564937452 /nfs/dbraw/zinc/93/74/52/564937452.db2.gz MXOLOSANCXYDNR-UHFFFAOYSA-N 1 0 389.721 2.988 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)NCc1cnn(CC(F)(F)F)c1)c1ccsc1 ZINC000532428465 564937939 /nfs/dbraw/zinc/93/79/39/564937939.db2.gz POKCKRZUTJOFDJ-CYBMUJFWSA-N 1 0 375.420 2.609 20 0 GFADRO COCC[N@@H+]1CC[C@@H](NC(=O)C2(Cc3ccccc3Br)CC2)C1 ZINC000559643107 564938500 /nfs/dbraw/zinc/93/85/00/564938500.db2.gz XNQSCPYNFKPZQQ-OAHLLOKOSA-N 1 0 381.314 2.609 20 0 GFADRO CC[N@@H+]1CCCN(C(=O)C2CCN(C(=O)c3ccc(Cl)s3)CC2)CC1 ZINC000499861925 564938920 /nfs/dbraw/zinc/93/89/20/564938920.db2.gz AOLNKEVUZBAHJP-UHFFFAOYSA-N 1 0 383.945 2.808 20 0 GFADRO COCC[N@@H+]1CCCN(C(=O)CSc2cccc(Br)c2)CC1 ZINC000499924137 564940383 /nfs/dbraw/zinc/94/03/83/564940383.db2.gz HDKHPIGAZFJQMZ-UHFFFAOYSA-N 1 0 387.343 2.722 20 0 GFADRO C[N@@H+]1CC[C@](O)(CN[C@H](c2ccc(Br)o2)c2ccc(F)cc2)C1 ZINC000559843258 564941516 /nfs/dbraw/zinc/94/15/16/564941516.db2.gz SLLYBPNSTKKRKJ-IRXDYDNUSA-N 1 0 383.261 2.927 20 0 GFADRO CC[C@H](Cn1cncn1)[NH2+][C@H]1CCN(c2ccc(Br)c(C)c2)C1=O ZINC000559900999 564941644 /nfs/dbraw/zinc/94/16/44/564941644.db2.gz AAAJYUWUZZDOFQ-CJNGLKHVSA-N 1 0 392.301 2.523 20 0 GFADRO Cc1cc(Br)cc(Cl)c1NC(=O)C(=O)NC[C@@H](C)C[NH+](C)C ZINC000559973980 564943008 /nfs/dbraw/zinc/94/30/08/564943008.db2.gz VABPIXLBUYNYCE-SECBINFHSA-N 1 0 390.709 2.663 20 0 GFADRO CCO[C@H](CC[NH+](C)C)CNC(=O)Nc1cc(Br)cc(OC)c1 ZINC000500081665 564944517 /nfs/dbraw/zinc/94/45/17/564944517.db2.gz MGBMJMGHBAMXIL-CQSZACIVSA-N 1 0 388.306 2.936 20 0 GFADRO CC(C)[N@@H+]1CC[C@H](CNC(=O)Cc2ccccc2I)C1 ZINC000532771684 564945198 /nfs/dbraw/zinc/94/51/98/564945198.db2.gz JGLAVYCQQFPRNN-CYBMUJFWSA-N 1 0 386.277 2.680 20 0 GFADRO CC[C@@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1ccccc1Br ZINC000500107919 564945281 /nfs/dbraw/zinc/94/52/81/564945281.db2.gz HUVLAYLCTPFOEK-CYBMUJFWSA-N 1 0 375.332 2.992 20 0 GFADRO CC[C@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1ccccc1Br ZINC000500107920 564945333 /nfs/dbraw/zinc/94/53/33/564945333.db2.gz HUVLAYLCTPFOEK-ZDUSSCGKSA-N 1 0 375.332 2.992 20 0 GFADRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N1CCc2c(Br)cccc2C1 ZINC000466757738 564947297 /nfs/dbraw/zinc/94/72/97/564947297.db2.gz WSNRDDONHIKCPT-YVEFUNNKSA-N 1 0 378.314 3.000 20 0 GFADRO CC[NH+](CC)CCOC1CCN(S(=O)(=O)c2ccc(F)cc2Cl)CC1 ZINC000466890853 564949412 /nfs/dbraw/zinc/94/94/12/564949412.db2.gz FOYRNRLNLHELLP-UHFFFAOYSA-N 1 0 392.924 2.991 20 0 GFADRO OC[C@H]([NH2+]Cc1ccc(I)cc1Cl)[C@H]1CCCO1 ZINC000500372152 564951349 /nfs/dbraw/zinc/95/13/49/564951349.db2.gz UMAWEMHCPRPUAD-QWHCGFSZSA-N 1 0 381.641 2.574 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)Cc2cc(=O)n3cc(Br)ccc3n2)C[C@@H]1C ZINC000532988241 564952187 /nfs/dbraw/zinc/95/21/87/564952187.db2.gz IIUKMTKHUGRCAM-BBRMVZONSA-N 1 0 393.329 2.762 20 0 GFADRO CN(CC1CC[NH+](C)CC1)C(=O)c1cccc(F)c1I ZINC000533085051 564953271 /nfs/dbraw/zinc/95/32/71/564953271.db2.gz ZFLGVMVETYDWDV-UHFFFAOYSA-N 1 0 390.240 2.844 20 0 GFADRO C[C@@H](NC(=O)C(=O)NCC1([NH+](C)C)CCC1)c1cc(F)c(Cl)cc1Cl ZINC000500433984 564953399 /nfs/dbraw/zinc/95/33/99/564953399.db2.gz WBEQGNWHEALPHD-SNVBAGLBSA-N 1 0 390.286 2.910 20 0 GFADRO COCCN1CC[C@@H]([NH2+]Cc2ccc(I)c(Cl)c2)C1 ZINC000500446537 564953425 /nfs/dbraw/zinc/95/34/25/564953425.db2.gz GFZCOWGNUPCHCP-GFCCVEGCSA-N 1 0 394.684 2.755 20 0 GFADRO COC(=O)c1ccc(C[NH2+][C@@H]2CCC[C@@H](C(=O)N(C)C)C2)c(Br)c1 ZINC000560243357 564954010 /nfs/dbraw/zinc/95/40/10/564954010.db2.gz IJDCKYGVIVXOEA-IUODEOHRSA-N 1 0 397.313 2.972 20 0 GFADRO COC(=O)c1ccc(CN2CC[N@H+](CC(C)(C)O)C[C@H]2C)c(Br)c1 ZINC000560260305 564954972 /nfs/dbraw/zinc/95/49/72/564954972.db2.gz QHYFLBGVLCXMDH-CYBMUJFWSA-N 1 0 399.329 2.513 20 0 GFADRO Cc1cc(C[NH2+][C@H]2CCC[C@@H]2CNS(C)(=O)=O)c(OC(F)F)cc1C ZINC000500492905 564955179 /nfs/dbraw/zinc/95/51/79/564955179.db2.gz CIXIGMFMMVEHIZ-HIFRSBDPSA-N 1 0 376.469 2.712 20 0 GFADRO COC(=O)c1ccc(C[N@@H+]2CCC[C@H]2CN2CCOCC2)c(Br)c1 ZINC000560256702 564955658 /nfs/dbraw/zinc/95/56/58/564955658.db2.gz HGMWHNCOXCNHST-INIZCTEOSA-N 1 0 397.313 2.532 20 0 GFADRO CCC(=O)N[C@H]1CCC[N@H+](CCC(=O)Nc2ccc(Br)cc2)C1 ZINC000500505226 564955889 /nfs/dbraw/zinc/95/58/89/564955889.db2.gz WPXGGRMISNFFPO-HNNXBMFYSA-N 1 0 382.302 2.768 20 0 GFADRO O=S(=O)(NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1cncc(Cl)c1 ZINC000533178701 564957294 /nfs/dbraw/zinc/95/72/94/564957294.db2.gz ZNTFUFDKIRHNHD-ZDUSSCGKSA-N 1 0 385.942 2.987 20 0 GFADRO CCOc1c(Cl)cc(NC(=O)C(=O)NCC[NH+]2CCCCC2)cc1Cl ZINC000467494043 564964801 /nfs/dbraw/zinc/96/48/01/564964801.db2.gz JAVTWVIRXCWUQK-UHFFFAOYSA-N 1 0 388.295 2.933 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)c2cccc(F)c2I)CC[N@@H+]1C ZINC000533536579 564965350 /nfs/dbraw/zinc/96/53/50/564965350.db2.gz XVPZEFORMMGBDD-NXEZZACHSA-N 1 0 376.213 2.643 20 0 GFADRO O=S(=O)(c1cccs1)N1CC[C@H](C[NH2+]Cc2csc(C3CC3)n2)C1 ZINC000560497190 564965645 /nfs/dbraw/zinc/96/56/45/564965645.db2.gz UNRGFQLJWKIFIJ-GFCCVEGCSA-N 1 0 383.564 2.882 20 0 GFADRO C[C@@H]1CCC[C@H](CO)[N@@H+]1CC(=O)N(C)CCOc1ccc(Br)cc1 ZINC000501039790 564968414 /nfs/dbraw/zinc/96/84/14/564968414.db2.gz NSLUQYFUKDMKQU-GDBMZVCRSA-N 1 0 399.329 2.522 20 0 GFADRO NC(=O)[C@H]([NH2+][C@H]1CCN(c2cccc(Br)c2)C1)c1ccc(F)cc1 ZINC000467642039 564969201 /nfs/dbraw/zinc/96/92/01/564969201.db2.gz WLVZOEHNCLMSER-DOTOQJQBSA-N 1 0 392.272 2.983 20 0 GFADRO C[NH+](C)CC1CCN(S(=O)(=O)c2ccc(OCC(F)(F)F)cc2)CC1 ZINC000501187057 564973249 /nfs/dbraw/zinc/97/32/49/564973249.db2.gz PJYLSLCOVZJBNX-UHFFFAOYSA-N 1 0 380.432 2.590 20 0 GFADRO COC(=O)c1c(C)c(NC(=O)N2CCC[C@@H](C[NH3+])C2)ccc1Br ZINC000561028747 564981892 /nfs/dbraw/zinc/98/18/92/564981892.db2.gz GWTUJJVPQIOOHI-NSHDSACASA-N 1 0 384.274 2.747 20 0 GFADRO CCc1n[nH]c(C(=O)NCCC[N@H+](C)Cc2ccccc2)c1Br ZINC000468507392 564985158 /nfs/dbraw/zinc/98/51/58/564985158.db2.gz XBSNOBIJOZTEQU-UHFFFAOYSA-N 1 0 379.302 2.987 20 0 GFADRO Cc1nc(-c2ccc(CCNC(=O)N3CC[C@@H]4C[NH2+]C[C@H]4C3)s2)cs1 ZINC000561146538 564985786 /nfs/dbraw/zinc/98/57/86/564985786.db2.gz HASDWFSHHCDFSN-KGLIPLIRSA-N 1 0 376.551 2.973 20 0 GFADRO C[C@H]1C[C@@H](NC(=O)c2cn(-c3ccc(Br)cc3)cn2)C[N@@H+]1C1CC1 ZINC000534416487 564988297 /nfs/dbraw/zinc/98/82/97/564988297.db2.gz KWIWSQJEXOXNPA-GXTWGEPZSA-N 1 0 389.297 2.990 20 0 GFADRO C[C@H](O)C[N@@H+]1CCN(Cc2cc(Br)ccc2OC(F)F)[C@H](C)C1 ZINC000501947425 564988896 /nfs/dbraw/zinc/98/88/96/564988896.db2.gz LDXVWCGJSVGQAL-NEPJUHHUSA-N 1 0 393.272 2.937 20 0 GFADRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)c1cncc(I)c1 ZINC000534560812 564991570 /nfs/dbraw/zinc/99/15/70/564991570.db2.gz KEWAMAISOSNCDL-TXEJJXNPSA-N 1 0 387.265 2.679 20 0 GFADRO CS[C@@H]1CN(C(=O)C2(c3cccc(Cl)c3)CCOCC2)C[C@@H]1[NH+](C)C ZINC000534828428 564997391 /nfs/dbraw/zinc/99/73/91/564997391.db2.gz VVNHHHNXUWILBE-DLBZAZTESA-N 1 0 382.957 2.892 20 0 GFADRO CS[C@@H]1CN([C@H](C)C(=O)Nc2cccc(Br)c2)C[C@H]1[NH+](C)C ZINC000534951386 565000655 /nfs/dbraw/zinc/00/06/55/565000655.db2.gz BPMMOWSALDNBRB-KCPJHIHWSA-N 1 0 386.359 2.754 20 0 GFADRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1S(=O)(=O)Cc1cccc(Br)c1 ZINC000561551044 565001119 /nfs/dbraw/zinc/00/11/19/565001119.db2.gz LZTDKLDYIOGAQB-CJNGLKHVSA-N 1 0 387.343 2.838 20 0 GFADRO CN(CC1CC[NH+](C)CC1)C(=O)[C@H]1CC(=O)Nc2ccc(Br)cc21 ZINC000468988318 565001665 /nfs/dbraw/zinc/00/16/65/565001665.db2.gz NFKHLUGVZVJYPR-HNNXBMFYSA-N 1 0 394.313 2.675 20 0 GFADRO CC[NH+]1CCN(CC(=O)N2CCC[C@H]2c2cc(F)cc(Br)c2)CC1 ZINC000468979764 565001855 /nfs/dbraw/zinc/00/18/55/565001855.db2.gz LWOGLBUTHUSMKO-KRWDZBQOSA-N 1 0 398.320 2.889 20 0 GFADRO C[C@@H](CC[NH+](C)C)NC(=O)CCOc1ccccc1I ZINC000469061197 565003905 /nfs/dbraw/zinc/00/39/05/565003905.db2.gz VIKVEGWKLZYPAL-LBPRGKRZSA-N 1 0 390.265 2.517 20 0 GFADRO C[C@@H]1CC[N@H+](C)CCN1C(=O)N[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000502769141 565004546 /nfs/dbraw/zinc/00/45/46/565004546.db2.gz XNKSPLMJJYQGQE-ZBFHGGJFSA-N 1 0 395.345 2.763 20 0 GFADRO O[C@@H](COc1ccc(Br)cc1)C[N@@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000535117608 565005052 /nfs/dbraw/zinc/00/50/52/565005052.db2.gz UHAYTMCYVPJSSX-NVXWUHKLSA-N 1 0 384.314 2.937 20 0 GFADRO O=C(N[C@H]1CC[N@@H+](C2CC2)C1)c1cn(-c2ccc(Br)cc2)cn1 ZINC000535124797 565005769 /nfs/dbraw/zinc/00/57/69/565005769.db2.gz FFKXYKCXJTZCMK-ZDUSSCGKSA-N 1 0 375.270 2.601 20 0 GFADRO CS(=O)(=O)[C@H]1CCC[N@H+](C[C@@H](O)Cc2ccccc2C(F)(F)F)CC1 ZINC000502825914 565006180 /nfs/dbraw/zinc/00/61/80/565006180.db2.gz KJJNHTZOUIUODD-GJZGRUSLSA-N 1 0 379.444 2.508 20 0 GFADRO C[C@@H](CNC(=O)N(C)CCn1cc(Br)cn1)[N@@H+]1CCCC[C@H]1C ZINC000561704061 565006605 /nfs/dbraw/zinc/00/66/05/565006605.db2.gz JCJPSQCOKKGXGN-KGLIPLIRSA-N 1 0 386.338 2.550 20 0 GFADRO C[N@@H+]1CC[C@]2(CCN(C(=O)c3cc(=O)[nH]c4c(Br)cccc34)C2)C1 ZINC000561764991 565007805 /nfs/dbraw/zinc/00/78/05/565007805.db2.gz NAOGHZOPXNTZCO-SFHVURJKSA-N 1 0 390.281 2.871 20 0 GFADRO C[C@@H]1C[C@H]1[N@@H+]1CCN(C(=O)c2cc3c(c(Br)c2)OCO3)C[C@@H](C)C1 ZINC000561760460 565008131 /nfs/dbraw/zinc/00/81/31/565008131.db2.gz GVCHTCQTPMOGMP-YWPYICTPSA-N 1 0 395.297 2.980 20 0 GFADRO C[C@@H](Cc1ccc(F)cc1Br)[NH2+]C[C@H]1CCCN1S(C)(=O)=O ZINC000561745971 565008228 /nfs/dbraw/zinc/00/82/28/565008228.db2.gz NCPPWFKNBBZHEC-SMDDNHRTSA-N 1 0 393.322 2.533 20 0 GFADRO COC(=O)[C@]1(C)C[N@H+](CCC(=O)Nc2ccccc2Br)C[C@H]1C ZINC000503212623 565013590 /nfs/dbraw/zinc/01/35/90/565013590.db2.gz VKXMAEOJMGDRAC-SJKOYZFVSA-N 1 0 383.286 2.909 20 0 GFADRO C[C@H](Cc1ccc(Br)cc1F)[NH2+]C[C@H]1CCCS(=O)(=O)C1 ZINC000562057942 565017169 /nfs/dbraw/zinc/01/71/69/565017169.db2.gz KMLHMZPGZKEFLE-VXGBXAGGSA-N 1 0 378.307 2.934 20 0 GFADRO CCOC[C@@H]([NH2+]CCS(=O)(=O)c1cccc(Br)c1)C(C)C ZINC000503447049 565019518 /nfs/dbraw/zinc/01/95/18/565019518.db2.gz NXYIEAGZOWXQJR-OAHLLOKOSA-N 1 0 378.332 2.874 20 0 GFADRO CCC[N@H+](CC)CCNC(=O)COc1cccc(I)c1 ZINC000469547395 565019901 /nfs/dbraw/zinc/01/99/01/565019901.db2.gz PJJURXJUYLCSMK-UHFFFAOYSA-N 1 0 390.265 2.518 20 0 GFADRO O=S(=O)(NCC[NH2+]CCc1ccc(F)cc1Cl)c1ccc(F)cc1F ZINC000562204445 565020028 /nfs/dbraw/zinc/02/00/28/565020028.db2.gz AWQMQJKXOAJWAK-UHFFFAOYSA-N 1 0 392.830 2.868 20 0 GFADRO CC[N@H+](CCO)CCNC(=O)Nc1cc(Br)cc(C(F)(F)F)c1 ZINC000469663923 565023917 /nfs/dbraw/zinc/02/39/17/565023917.db2.gz GGPJPYZMLUTHBD-UHFFFAOYSA-N 1 0 398.223 2.904 20 0 GFADRO CN(C(=O)c1cn(-c2ccc(Br)cc2)cn1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000535913203 565024695 /nfs/dbraw/zinc/02/46/95/565024695.db2.gz GASQXNMVMNHEHT-MRXNPFEDSA-N 1 0 389.297 2.944 20 0 GFADRO C[C@@H](CO)[N@@H+]1CCCN(Cc2nnc(-c3c(Cl)cccc3Cl)o2)CC1 ZINC000469843094 565029186 /nfs/dbraw/zinc/02/91/86/565029186.db2.gz QFGBVFBZDHEHNO-LBPRGKRZSA-N 1 0 385.295 2.932 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S(=O)(=O)CC[NH2+][C@H]1CCC[C@H](C)C1 ZINC000562462296 565030790 /nfs/dbraw/zinc/03/07/90/565030790.db2.gz HGNZWAMLXXYIQP-HOTGVXAUSA-N 1 0 387.567 2.812 20 0 GFADRO CO[C@@H](CCNC(=O)c1ccc(C[NH+]2CCSCC2)cc1)C(F)(F)F ZINC000469962524 565033332 /nfs/dbraw/zinc/03/33/32/565033332.db2.gz KOGWLLWROFNLPT-HNNXBMFYSA-N 1 0 376.444 2.933 20 0 GFADRO CN(CC[NH+]1CCCC1)C[C@H](O)COc1ccc(Cl)cc1Br ZINC000536362396 565035326 /nfs/dbraw/zinc/03/53/26/565035326.db2.gz FSXLYCBVBRVHLH-AWEZNQCLSA-N 1 0 391.737 2.870 20 0 GFADRO C[C@@H](Oc1cc(Cl)cc(Cl)c1)C(=O)N1CCC[N@@H+]([C@@H](C)CO)CC1 ZINC000470058314 565036467 /nfs/dbraw/zinc/03/64/67/565036467.db2.gz AECAKNYDBTVVTC-QWHCGFSZSA-N 1 0 375.296 2.676 20 0 GFADRO C[N@@H+]1CC[C@@H](C(=O)NCCOc2ccc(Br)cc2C(F)(F)F)C1 ZINC000536551722 565040132 /nfs/dbraw/zinc/04/01/32/565040132.db2.gz BZLMRQYFJGFQEN-SNVBAGLBSA-N 1 0 395.219 2.915 20 0 GFADRO C[C@@H]1[C@H](C)N(C(=O)c2cc(=O)[nH]c3ccc(Br)cc32)CC[N@H+]1C ZINC000536589691 565041721 /nfs/dbraw/zinc/04/17/21/565041721.db2.gz QKROQGNMSUCFOM-MNOVXSKESA-N 1 0 378.270 2.868 20 0 GFADRO C[C@H](Cc1ccccc1C(F)(F)F)[NH2+][C@H]1CCC[C@@H]1CNS(C)(=O)=O ZINC000504574578 565042032 /nfs/dbraw/zinc/04/20/32/565042032.db2.gz GAJJBLKKNYLHLU-XPKDYRNWSA-N 1 0 378.460 2.944 20 0 GFADRO Nc1c(Br)cc(Br)cc1C[NH2+]CCc1cnccn1 ZINC000470311413 565042323 /nfs/dbraw/zinc/04/23/23/565042323.db2.gz YSNJYRPPGUVXRI-UHFFFAOYSA-N 1 0 386.091 2.916 20 0 GFADRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)N[C@@H](CO)c2ccc(Br)cc2)C1 ZINC000504666156 565042989 /nfs/dbraw/zinc/04/29/89/565042989.db2.gz PBXOQKHRFWEECA-PBHICJAKSA-N 1 0 398.345 2.902 20 0 GFADRO C[C@@]1(CNC(=O)c2ccc(S(=O)(=O)c3ccccc3)s2)CCC[NH2+]C1 ZINC000562973415 565049724 /nfs/dbraw/zinc/04/97/24/565049724.db2.gz GLOUZYOWLUVTPB-GOSISDBHSA-N 1 0 378.519 2.700 20 0 GFADRO C[C@H](CC[S@@](C)=O)[NH2+][C@H](C)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000536911985 565049864 /nfs/dbraw/zinc/04/98/64/565049864.db2.gz WQDYPKMXLLLJKT-DQIAKBPPSA-N 1 0 386.583 2.669 20 0 GFADRO CO[C@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000536924205 565050035 /nfs/dbraw/zinc/05/00/35/565050035.db2.gz DILYHNLQOMGVGK-KCXAZCMYSA-N 1 0 384.318 2.919 20 0 GFADRO CCOc1ccc(S(=O)(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1Br ZINC000470605935 565050479 /nfs/dbraw/zinc/05/04/79/565050479.db2.gz KYHFMLPRVMQCLY-NWDGAFQWSA-N 1 0 391.331 2.609 20 0 GFADRO Cc1cc(NC(=O)CC[NH2+][C@@H](C)Cc2cc(Br)ccc2F)no1 ZINC000562990778 565051171 /nfs/dbraw/zinc/05/11/71/565051171.db2.gz GAHZAQJQPHUQOP-JTQLQIEISA-N 1 0 384.249 3.434 20 0 GFADRO C[C@@H](OC[C@@H](O)C[NH2+]CC1(CS(C)(=O)=O)CCC1)c1ccc(Cl)cc1 ZINC000563008457 565052071 /nfs/dbraw/zinc/05/20/71/565052071.db2.gz ZFDANXKNPKGDFF-PBHICJAKSA-N 1 0 389.945 2.583 20 0 GFADRO CC(C)[N@@H+]1CCC[C@@H](NC(=O)Cc2cccc(I)c2)C1 ZINC000470668047 565052232 /nfs/dbraw/zinc/05/22/32/565052232.db2.gz DEFBNXHHRNKAGJ-OAHLLOKOSA-N 1 0 386.277 2.823 20 0 GFADRO Cc1cc(Br)cc2c1CN(C(=O)[C@@H](C)C[NH+]1CCOCC1)CC2 ZINC000537170269 565053777 /nfs/dbraw/zinc/05/37/77/565053777.db2.gz INYIEQUGCFPRKI-AWEZNQCLSA-N 1 0 381.314 2.611 20 0 GFADRO CN(C)Cc1ccc(NC(=O)c2cc([C@@H]3CC[NH2+]C3)[nH]n2)cc1Br ZINC000563096333 565055158 /nfs/dbraw/zinc/05/51/58/565055158.db2.gz BCGYTPSKBWSIIG-LLVKDONJSA-N 1 0 392.301 2.563 20 0 GFADRO [NH3+]C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)c1cccc(Cl)c1Cl)C2=O ZINC000563082063 565055541 /nfs/dbraw/zinc/05/55/41/565055541.db2.gz UYXDHGZAXWYPNS-BMLIUANNSA-N 1 0 384.263 2.616 20 0 GFADRO O=S(=O)(Cc1ccc(Br)cc1)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000470766378 565055573 /nfs/dbraw/zinc/05/55/73/565055573.db2.gz PBKSRSDQRGZDCR-OAHLLOKOSA-N 1 0 387.343 2.885 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2Br)C1 ZINC000563119492 565056528 /nfs/dbraw/zinc/05/65/28/565056528.db2.gz BFHNYUNQKNOURZ-GHMZBOCLSA-N 1 0 395.750 2.992 20 0 GFADRO O=S(=O)(c1ccc2cc(Br)ccc2c1)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000563129379 565056771 /nfs/dbraw/zinc/05/67/71/565056771.db2.gz RVXKNKLRSGLFSO-HUUCEWRRSA-N 1 0 395.322 2.832 20 0 GFADRO C[NH+](C)CCOC1CCN(Cc2cc(Br)c3c(c2)OCCO3)CC1 ZINC000537631747 565060407 /nfs/dbraw/zinc/06/04/07/565060407.db2.gz VDDCGPGPVATBER-UHFFFAOYSA-N 1 0 399.329 2.763 20 0 GFADRO O=S(=O)(c1cccs1)N1CCC[C@@H]([NH2+]Cc2cc3cccnc3o2)C1 ZINC000584331785 565076240 /nfs/dbraw/zinc/07/62/40/565076240.db2.gz MKVAQGQZQZENAT-CQSZACIVSA-N 1 0 377.491 2.832 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)CNC(=O)c1sc2ccccc2c1Cl ZINC000613658916 565076670 /nfs/dbraw/zinc/07/66/70/565076670.db2.gz CIKLRTVWKPSMAL-CHWSQXEVSA-N 1 0 379.913 2.883 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)[C@@H]1CCO[C@H]1c1cncc(Br)c1 ZINC000613661710 565077013 /nfs/dbraw/zinc/07/70/13/565077013.db2.gz SCRSOOHBVMOAHA-FPCVCCKLSA-N 1 0 382.302 2.521 20 0 GFADRO [NH3+]C[C@@H]1c2ccccc2CCN1Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000584351600 565077739 /nfs/dbraw/zinc/07/77/39/565077739.db2.gz UFXBPJCZMMXJMC-QGZVFWFLSA-N 1 0 399.292 2.515 20 0 GFADRO O=C(N(CCO)Cc1ccc(Br)s1)C12CCC[NH+](CCC1)C2 ZINC000635867671 565078266 /nfs/dbraw/zinc/07/82/66/565078266.db2.gz VWIIQFXAAHLCBS-UHFFFAOYSA-N 1 0 387.343 2.708 20 0 GFADRO O=S(=O)(N[C@@H]1CC[N@@H+](C2CCCCC2)C1)c1ncccc1C(F)(F)F ZINC000657162440 565080831 /nfs/dbraw/zinc/08/08/31/565080831.db2.gz VLZQUICLXVRDRS-GFCCVEGCSA-N 1 0 377.432 2.786 20 0 GFADRO O=C(NCc1n[nH]cc1Br)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000684792610 565083459 /nfs/dbraw/zinc/08/34/59/565083459.db2.gz LYAYRYAMHFSNFH-ZDUSSCGKSA-N 1 0 384.322 2.769 20 0 GFADRO O=c1cc(C[N@@H+]2CCC[C@H](c3cc[nH]n3)C2)nc2ccc(Br)cn12 ZINC000613885780 565085107 /nfs/dbraw/zinc/08/51/07/565085107.db2.gz SMAJSPLFHBFMMM-LBPRGKRZSA-N 1 0 388.269 2.560 20 0 GFADRO O=C(CCc1nc2cc(Cl)ccc2s1)NC[C@H](O)C[NH+]1CCCCC1 ZINC000636047493 565089144 /nfs/dbraw/zinc/08/91/44/565089144.db2.gz QUOHDQNYRVVTPH-AWEZNQCLSA-N 1 0 381.929 2.845 20 0 GFADRO Cc1sc(NC(=O)CN2C[C@@H]3C[NH2+]C[C@H]3C2)nc1-c1ccc(Cl)cc1 ZINC000613995570 565089390 /nfs/dbraw/zinc/08/93/90/565089390.db2.gz JXBTXYWELTYEJP-KBPBESRZSA-N 1 0 376.913 2.862 20 0 GFADRO O=C(N[C@H]1C[C@@H]([NH+]2CCCC2)C1)c1ccn(-c2ccc(Br)cc2)n1 ZINC000636101298 565090294 /nfs/dbraw/zinc/09/02/94/565090294.db2.gz MBDDRUGPBHEVIU-FZNQNYSPSA-N 1 0 389.297 2.991 20 0 GFADRO C[NH+](C)[C@H]1C[C@H](NC(=O)[C@@H]2CCO[C@H]2c2cncc(Br)c2)C1(C)C ZINC000636123599 565091525 /nfs/dbraw/zinc/09/15/25/565091525.db2.gz XMWCMWMSJTYJPX-UGUYLWEFSA-N 1 0 396.329 2.767 20 0 GFADRO O=C(N[C@H]1C[C@@H]([NH+]2CCCC2)C1)c1cnc2ncc(Br)cc2c1 ZINC000636116805 565091849 /nfs/dbraw/zinc/09/18/49/565091849.db2.gz VGRRKUBWLMHGDW-GASCZTMLSA-N 1 0 375.270 2.749 20 0 GFADRO Cc1nc(-c2cccs2)c(CC(=O)N2CCC[C@@](O)(C[NH+](C)C)C2)s1 ZINC000614070294 565094225 /nfs/dbraw/zinc/09/42/25/565094225.db2.gz KJAIKQVBYMHJIC-GOSISDBHSA-N 1 0 379.551 2.638 20 0 GFADRO CSc1cc(Br)ccc1C(=O)N1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000614070960 565094419 /nfs/dbraw/zinc/09/44/19/565094419.db2.gz MTVJTZCXLHSFHI-MRXNPFEDSA-N 1 0 387.343 2.700 20 0 GFADRO Cn1ncc(C(F)(F)F)c1C[NH2+]CCCS(=O)(=O)Cc1ccccc1 ZINC000657317655 565095982 /nfs/dbraw/zinc/09/59/82/565095982.db2.gz DWRLQUUHDZRKOR-UHFFFAOYSA-N 1 0 375.416 2.534 20 0 GFADRO CC1(C)[C@H]([NH2+]C[C@H](O)COc2cccc(Br)c2)[C@H]2CCCO[C@@H]21 ZINC000584761888 565096064 /nfs/dbraw/zinc/09/60/64/565096064.db2.gz YKAJYCDTBKYEOE-SVGFKBNWSA-N 1 0 384.314 2.982 20 0 GFADRO COCc1csc(C[NH2+]Cc2ccc(S(=O)(=O)N3CCCC3)cc2)c1 ZINC000657312380 565096471 /nfs/dbraw/zinc/09/64/71/565096471.db2.gz HWSILXHGRNHQJZ-UHFFFAOYSA-N 1 0 380.535 2.969 20 0 GFADRO Cc1c(Br)cncc1C[NH2+]C[C@H](Cc1ccc(F)cc1)C(N)=O ZINC000657422399 565099797 /nfs/dbraw/zinc/09/97/97/565099797.db2.gz PAQQZDSCAAUKMG-ZDUSSCGKSA-N 1 0 380.261 2.725 20 0 GFADRO O=C(CCCS(=O)(=O)c1ccc(Cl)cc1)NCC12CCC[NH+]1CCC2 ZINC000614223323 565102840 /nfs/dbraw/zinc/10/28/40/565102840.db2.gz ALOLAVPNZUFOQB-UHFFFAOYSA-N 1 0 384.929 2.639 20 0 GFADRO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)Nc1ccc(Br)c(F)c1C ZINC000657522824 565105608 /nfs/dbraw/zinc/10/56/08/565105608.db2.gz YSIMRPJYYWLMMI-SNVBAGLBSA-N 1 0 388.281 2.682 20 0 GFADRO COC(=O)c1ccc(C[NH2+][C@@H]2CCN(c3ccccn3)C2)c(Br)c1 ZINC000585766826 565110133 /nfs/dbraw/zinc/11/01/33/565110133.db2.gz WBPWNQUJYBHNLE-OAHLLOKOSA-N 1 0 390.281 2.999 20 0 GFADRO FC(F)(F)[C@H](C[NH2+]Cc1cnc(N2CCOCC2)s1)OC1CCCC1 ZINC000657587517 565111404 /nfs/dbraw/zinc/11/14/04/565111404.db2.gz VYCKKFXNFBBXTA-AWEZNQCLSA-N 1 0 379.448 2.959 20 0 GFADRO C[NH+](C)[C@]1(CNCc2cn(-c3ccccc3Br)nn2)CCSC1 ZINC000685617696 565116208 /nfs/dbraw/zinc/11/62/08/565116208.db2.gz HCEYGMAIFZFRLX-INIZCTEOSA-N 1 0 396.358 2.557 20 0 GFADRO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1ccc(Br)c(F)c1C ZINC000657651762 565116497 /nfs/dbraw/zinc/11/64/97/565116497.db2.gz NSGUWHYMBPHIDD-SNVBAGLBSA-N 1 0 388.281 2.682 20 0 GFADRO O=C(CCn1cc(Br)cn1)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000614525882 565118363 /nfs/dbraw/zinc/11/83/63/565118363.db2.gz RQLWYAIASVYPGR-KRWDZBQOSA-N 1 0 391.313 2.989 20 0 GFADRO O=C(NCC[N@H+]1CC[C@@H](O)C1)N[C@@H](c1ccsc1)c1ccc(Cl)cc1 ZINC000636638801 565118705 /nfs/dbraw/zinc/11/87/05/565118705.db2.gz DXYSAVAPWQXWNF-IAGOWNOFSA-N 1 0 379.913 2.857 20 0 GFADRO C[C@]1(c2ccc(C[NH2+]Cc3ccccc3Br)cc2)NC(=O)NC1=O ZINC000586833745 565119155 /nfs/dbraw/zinc/11/91/55/565119155.db2.gz VMQJDDLCYAEZTE-GOSISDBHSA-N 1 0 388.265 2.794 20 0 GFADRO COc1c(Cl)cc(NC(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1Cl ZINC000587344996 565120414 /nfs/dbraw/zinc/12/04/14/565120414.db2.gz RSNBVNMPZIZVAE-JQWIXIFHSA-N 1 0 386.279 2.684 20 0 GFADRO COc1ccc(C[NH+](C)C)cc1NC(=O)CCn1cc(Br)cn1 ZINC000614645134 565124552 /nfs/dbraw/zinc/12/45/52/565124552.db2.gz BXCMBDVGJKLART-UHFFFAOYSA-N 1 0 381.274 2.745 20 0 GFADRO O=C(N[C@H](CO)C[NH+]1CCCCC1)c1cc2cc(Br)sc2[nH]1 ZINC000614662015 565125873 /nfs/dbraw/zinc/12/58/73/565125873.db2.gz WHMBUDHBDCFAGG-NSHDSACASA-N 1 0 386.315 2.569 20 0 GFADRO O=C(NC[C@@H]1CCCC[NH2+]1)N1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000636874130 565128993 /nfs/dbraw/zinc/12/89/93/565128993.db2.gz QPAQHTBCNFSTEA-HOTGVXAUSA-N 1 0 382.302 2.674 20 0 GFADRO C[N@@H+]1CCN(Cc2ccccc2)[C@H](CNCc2ncc(Br)s2)C1 ZINC000657800768 565131145 /nfs/dbraw/zinc/13/11/45/565131145.db2.gz KJQADQCMBUWEJZ-OAHLLOKOSA-N 1 0 395.370 2.811 20 0 GFADRO Cc1ccccc1[C@@H]([C@H](C)Nc1cnn(C)c(=O)c1Br)[NH+](C)C ZINC000685921207 565131720 /nfs/dbraw/zinc/13/17/20/565131720.db2.gz OHGDSBUKRAIIQE-BLLLJJGKSA-N 1 0 379.302 2.955 20 0 GFADRO COCC[NH+]1CCC(NC(=O)N[C@H]2C[C@@H]2c2cccc(Br)c2)CC1 ZINC000588287975 565132609 /nfs/dbraw/zinc/13/26/09/565132609.db2.gz ATBHVRWDTIMJEY-SJORKVTESA-N 1 0 396.329 2.715 20 0 GFADRO CC(C)[C@H](Cc1ccc(Br)cc1)[NH2+]CCCNS(C)(=O)=O ZINC000657827580 565132989 /nfs/dbraw/zinc/13/29/89/565132989.db2.gz NPULVODIVFRADN-HNNXBMFYSA-N 1 0 377.348 2.545 20 0 GFADRO COC[C@@H](CNC(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1)OC ZINC000637033782 565135102 /nfs/dbraw/zinc/13/51/02/565135102.db2.gz APIXHQVELMCGOA-DOMZBBRYSA-N 1 0 378.300 2.557 20 0 GFADRO CC[C@H](Cc1ccc(Br)cc1)[NH2+][C@H](CC)C(=O)N1CCOCC1 ZINC000657901903 565136305 /nfs/dbraw/zinc/13/63/05/565136305.db2.gz INZBXCAVMDXIOI-IAGOWNOFSA-N 1 0 383.330 2.997 20 0 GFADRO C[C@H](CNS(=O)(=O)c1cc2c(cc1Cl)OCCO2)[N@@H+]1CCCC[C@H]1C ZINC000588678243 565137485 /nfs/dbraw/zinc/13/74/85/565137485.db2.gz NLVDTLXTSYPTQX-CHWSQXEVSA-N 1 0 388.917 2.652 20 0 GFADRO C[C@@H](Cc1ccc(Cl)c(C(F)(F)F)c1)[NH2+]CCN1CCCS1(=O)=O ZINC000657912938 565137523 /nfs/dbraw/zinc/13/75/23/565137523.db2.gz FZMUYRQUENCUKB-NSHDSACASA-N 1 0 384.851 2.915 20 0 GFADRO COc1cc(F)c(S(=O)(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)c(F)c1 ZINC000588678907 565137602 /nfs/dbraw/zinc/13/76/02/565137602.db2.gz CCSVQTLNWVGOEX-GFCCVEGCSA-N 1 0 376.469 2.762 20 0 GFADRO C[C@H]([NH2+]C[C@H](O)CS(=O)(=O)c1cccs1)c1cc2ccncc2s1 ZINC000657929962 565138187 /nfs/dbraw/zinc/13/81/87/565138187.db2.gz HQSRZUPLGYSAAZ-AAEUAGOBSA-N 1 0 382.532 2.843 20 0 GFADRO C[NH+]1CCC2(CCN(C(=O)c3cc(Br)cc4nc[nH]c43)C2)CC1 ZINC000614962308 565140246 /nfs/dbraw/zinc/14/02/46/565140246.db2.gz AOCJINPZYZCUBK-UHFFFAOYSA-N 1 0 377.286 2.883 20 0 GFADRO C[N@@H+]1C[C@H]2CCN(C(=O)c3cc(-c4ccc(Br)cc4)no3)[C@@H]2C1 ZINC000615182699 565149269 /nfs/dbraw/zinc/14/92/69/565149269.db2.gz ABYPDYASDOXABR-IUODEOHRSA-N 1 0 376.254 2.880 20 0 GFADRO O=C(NCC[NH2+]C1CC1)N1CCC[C@H](Nc2cccc(Br)c2)C1 ZINC000637317523 565150240 /nfs/dbraw/zinc/15/02/40/565150240.db2.gz OGWRVRPUDBDCKN-INIZCTEOSA-N 1 0 381.318 2.787 20 0 GFADRO C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)NCC[NH2+]C2CC2)CC1 ZINC000637349103 565151032 /nfs/dbraw/zinc/15/10/32/565151032.db2.gz YUSNBZZNTPGKIS-AWEZNQCLSA-N 1 0 395.345 2.589 20 0 GFADRO COC(=O)C[C@@H]([NH2+]C1CCN(C(C)=O)CC1)c1cccc(Br)c1 ZINC000589204427 565154660 /nfs/dbraw/zinc/15/46/60/565154660.db2.gz JSFRENBIFABEIH-MRXNPFEDSA-N 1 0 383.286 2.654 20 0 GFADRO Cc1c(F)c(Br)ccc1C(=O)N1CCOC[C@H]1[C@@H]1CCC[N@H+]1C ZINC000615273296 565155135 /nfs/dbraw/zinc/15/51/35/565155135.db2.gz BMAZQXWPRJGKRX-GJZGRUSLSA-N 1 0 385.277 2.832 20 0 GFADRO C[C@@H]([NH2+]C[C@H]1CCC[C@@H](C)O1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000658215249 565155585 /nfs/dbraw/zinc/15/55/85/565155585.db2.gz GMSMITOIMLIUAJ-NQBHXWOUSA-N 1 0 391.331 2.705 20 0 GFADRO C[C@H]([NH2+][C@@H]1C[C@@H](O)C12CCC2)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000658252304 565155969 /nfs/dbraw/zinc/15/59/69/565155969.db2.gz QBVFKNQQJDGWAN-MCCGJVOXSA-N 1 0 379.309 2.595 20 0 GFADRO O=C(NCc1cc(F)c(Br)cc1F)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000637422866 565156605 /nfs/dbraw/zinc/15/66/05/565156605.db2.gz JDZLTCBVLHHYGJ-GFCCVEGCSA-N 1 0 386.240 2.883 20 0 GFADRO C[NH+](C)C[C@@H](NC(=O)NC[C@@]1(O)CCSC1)c1ccc(Cl)c(Cl)c1 ZINC000637472684 565158898 /nfs/dbraw/zinc/15/88/98/565158898.db2.gz HCXDAPMIARIUTG-ZBFHGGJFSA-N 1 0 392.352 2.763 20 0 GFADRO C[NH+](C)C[C@H](NC(=O)N1CCC(C(N)=O)CC1)c1ccc(Cl)c(Cl)c1 ZINC000637474611 565159150 /nfs/dbraw/zinc/15/91/50/565159150.db2.gz RAXXBBWAZCAVPY-HNNXBMFYSA-N 1 0 387.311 2.503 20 0 GFADRO CC(C)[NH+]1CCC(O)(CNC(=O)NCc2csc(C(F)(F)F)c2)CC1 ZINC000637525767 565160136 /nfs/dbraw/zinc/16/01/36/565160136.db2.gz NOZWRIVLMCKZKB-UHFFFAOYSA-N 1 0 379.448 2.801 20 0 GFADRO C[C@H](NS(=O)(=O)c1cc(Cl)cc(Br)c1)[C@@H]1CCC[NH2+]C1 ZINC000658364639 565161288 /nfs/dbraw/zinc/16/12/88/565161288.db2.gz DPVJMRWXFGNOTR-VHSXEESVSA-N 1 0 381.723 2.769 20 0 GFADRO C[C@@H]1CN(C(=O)c2cc(Br)cc3c2OCCO3)CC[N@@H+](C2CC2)C1 ZINC000615452640 565161334 /nfs/dbraw/zinc/16/13/34/565161334.db2.gz ZEGMMWRHJITDNF-LBPRGKRZSA-N 1 0 395.297 2.777 20 0 GFADRO CCN(C(=O)C(=O)Nc1ccc(C(F)(F)F)cc1Cl)[C@H]1CC[N@H+](C)C1 ZINC000658359060 565161402 /nfs/dbraw/zinc/16/14/02/565161402.db2.gz DIQAHLPGMDYPAI-NSHDSACASA-N 1 0 377.794 2.850 20 0 GFADRO C[NH2+]C[C@@H]1CCCN(S(=O)(=O)c2cc(Cl)cc(Br)c2)C1 ZINC000658361426 565161996 /nfs/dbraw/zinc/16/19/96/565161996.db2.gz ZMURRLXPDOQBTF-JTQLQIEISA-N 1 0 381.723 2.723 20 0 GFADRO [NH3+]C[C@H](NS(=O)(=O)Cc1cc(F)ccc1Br)C1CCCC1 ZINC000658377055 565163399 /nfs/dbraw/zinc/16/33/99/565163399.db2.gz ABAUMHOOMSVJCB-AWEZNQCLSA-N 1 0 379.295 2.525 20 0 GFADRO C[C@@H]1CCCC[C@@]1(C[NH3+])NS(=O)(=O)Cc1cc(F)ccc1Br ZINC000658378469 565164583 /nfs/dbraw/zinc/16/45/83/565164583.db2.gz YYLRVQUGHLKLPA-ABAIWWIYSA-N 1 0 393.322 2.915 20 0 GFADRO CCCOc1ccc(Br)cc1S(=O)(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000658379810 565164658 /nfs/dbraw/zinc/16/46/58/565164658.db2.gz WCIJLQXVMXPQOZ-OAHLLOKOSA-N 1 0 391.331 2.597 20 0 GFADRO [NH3+]C[C@H]1CC[C@H](CNS(=O)(=O)Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000658378738 565164988 /nfs/dbraw/zinc/16/49/88/565164988.db2.gz ALZYZUKQRUDFPZ-JOCQHMNTSA-N 1 0 380.432 2.770 20 0 GFADRO O=S(=O)(c1ccc(Br)s1)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000658384652 565166163 /nfs/dbraw/zinc/16/61/63/565166163.db2.gz GSXOVRFOVDJZGS-GFCCVEGCSA-N 1 0 393.372 2.911 20 0 GFADRO C[C@H](CCNC(=O)C(=O)N[C@@H](c1ccc(Cl)cc1)C(F)(F)F)[NH+](C)C ZINC000658427033 565168865 /nfs/dbraw/zinc/16/88/65/565168865.db2.gz IAKHCULVXJSIHN-MFKMUULPSA-N 1 0 379.810 2.516 20 0 GFADRO C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)COc1ccc(Br)cc1F)C2 ZINC000615627111 565168948 /nfs/dbraw/zinc/16/89/48/565168948.db2.gz SMLVLTKNXGBLEI-QGZVFWFLSA-N 1 0 385.277 2.911 20 0 GFADRO C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1cc3c(c(Br)c1)OCO3)C2 ZINC000615617608 565169471 /nfs/dbraw/zinc/16/94/71/565169471.db2.gz AAHCJNYQXFFSSX-KRWDZBQOSA-N 1 0 381.270 2.736 20 0 GFADRO COc1ccc(NC(=O)[C@@H](C(C)C)[NH+](C)C)c(I)c1 ZINC000589851454 565171135 /nfs/dbraw/zinc/17/11/35/565171135.db2.gz YZVDQQQAPGABSW-CYBMUJFWSA-N 1 0 376.238 2.825 20 0 GFADRO CCN(C(=O)C(=O)Nc1ccc(Br)c(C)c1)[C@H]1CC[N@H+](CC)C1 ZINC000658464703 565171296 /nfs/dbraw/zinc/17/12/96/565171296.db2.gz SMHXUKQXIFGKHQ-AWEZNQCLSA-N 1 0 382.302 2.639 20 0 GFADRO C[C@@H](CNC(=O)[C@@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1)[N@H+](C)C1CC1 ZINC000589965212 565174815 /nfs/dbraw/zinc/17/48/15/565174815.db2.gz CHHPGQAFFUNHFC-NWDGAFQWSA-N 1 0 384.307 2.945 20 0 GFADRO O=C(Nc1ccc(Br)cn1)[C@H]1CCC[N@H+](Cc2ccc(=O)[nH]c2)C1 ZINC000637944249 565177394 /nfs/dbraw/zinc/17/73/94/565177394.db2.gz ZNHSUSZTOCVOBJ-ZDUSSCGKSA-N 1 0 391.269 2.795 20 0 GFADRO [NH3+][C@@H]1CC=C(C(=O)N2CCC(C(=O)Nc3ccccc3Br)CC2)C1 ZINC000637973590 565179279 /nfs/dbraw/zinc/17/92/79/565179279.db2.gz LGHFZILQBWDGJE-CQSZACIVSA-N 1 0 392.297 2.674 20 0 GFADRO CC(C)[N@H+](Cc1ccc(S(N)(=O)=O)c(Br)c1)Cc1ccccn1 ZINC000637955476 565179299 /nfs/dbraw/zinc/17/92/99/565179299.db2.gz KNCZHBADUPRQML-UHFFFAOYSA-N 1 0 398.326 2.902 20 0 GFADRO COc1cccc(C[C@H]([NH3+])C(=O)N2CCc3cccc(Br)c3C2)c1 ZINC000638008700 565182283 /nfs/dbraw/zinc/18/22/83/565182283.db2.gz VTYAKZPZVPGSBK-SFHVURJKSA-N 1 0 389.293 2.912 20 0 GFADRO COc1cc(CN2CC[C@H](C[NH+]3CCOCC3)C2)c(F)cc1Br ZINC000638119460 565185028 /nfs/dbraw/zinc/18/50/28/565185028.db2.gz RPFRMIKRGRXLKZ-CYBMUJFWSA-N 1 0 387.293 2.751 20 0 GFADRO O=C(c1cc(Br)c2nccn2c1)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000638144181 565186507 /nfs/dbraw/zinc/18/65/07/565186507.db2.gz LTAOSZMCNONCIT-DOMZBBRYSA-N 1 0 377.286 2.701 20 0 GFADRO O=C(c1ccc2cncc(Br)c2n1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000638232997 565188794 /nfs/dbraw/zinc/18/87/94/565188794.db2.gz DATMPQSSJSDOMP-KRWDZBQOSA-N 1 0 375.270 2.608 20 0 GFADRO CO[C@H]1C[NH2+][C@@](C)(C(=O)NCCc2csc(-c3ccc(Cl)cc3)n2)C1 ZINC000638379213 565194144 /nfs/dbraw/zinc/19/41/44/565194144.db2.gz XFMBDKAULPYNAZ-CRAIPNDOSA-N 1 0 379.913 2.889 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+]CC2(c3ccc(Br)cc3)CCC2)o1 ZINC000638410958 565194849 /nfs/dbraw/zinc/19/48/49/565194849.db2.gz JRWKTMGSMIUESH-UHFFFAOYSA-N 1 0 399.310 2.901 20 0 GFADRO O=C(Cc1ccc(Br)c(Br)c1)NCC1CC[NH2+]CC1 ZINC000658926230 565194878 /nfs/dbraw/zinc/19/48/78/565194878.db2.gz CZGRRPKSPRHYHS-UHFFFAOYSA-N 1 0 390.119 2.870 20 0 GFADRO C[C@@H](C[C@@H]1CCCC(=O)N1)[NH2+]Cc1cc(Br)c2c(c1)OCCO2 ZINC000638440551 565196756 /nfs/dbraw/zinc/19/67/56/565196756.db2.gz SNKNFRINVCLQAR-AAEUAGOBSA-N 1 0 383.286 2.757 20 0 GFADRO [NH3+]CCCCn1cc(C(=O)NCC/C=C/c2ccc(Br)cc2)nn1 ZINC000638462196 565197104 /nfs/dbraw/zinc/19/71/04/565197104.db2.gz KBRQLLPXPLNRMM-ORCRQEGFSA-N 1 0 392.301 2.613 20 0 GFADRO C[C@@H]1CCN(C(=O)[C@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)C[C@@H]1[NH3+] ZINC000658972823 565197259 /nfs/dbraw/zinc/19/72/59/565197259.db2.gz FKJUEIKVTIMPJK-XFBWCDHKSA-N 1 0 384.307 2.794 20 0 GFADRO O=C(Nc1ccncc1Br)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000659005706 565198330 /nfs/dbraw/zinc/19/83/30/565198330.db2.gz QBSFOCURQLKYCF-CZUORRHYSA-N 1 0 375.270 2.533 20 0 GFADRO CN(CC(C)(C)[NH3+])C(=O)Nc1ccnn1Cc1cccc(Br)c1 ZINC000659009550 565199189 /nfs/dbraw/zinc/19/91/89/565199189.db2.gz HHLKKOBMRVPWFF-UHFFFAOYSA-N 1 0 380.290 2.895 20 0 GFADRO O=C(NCC12CC(C1)C[NH2+]2)Nc1ccnn1Cc1ccccc1Br ZINC000659010140 565199229 /nfs/dbraw/zinc/19/92/29/565199229.db2.gz SCIDBTZNSPBGSD-UHFFFAOYSA-N 1 0 390.285 2.567 20 0 GFADRO O=C(N[C@H]1CC[NH2+]C12CCC2)c1cc(=O)[nH]c2c(Br)cccc12 ZINC000638506641 565199265 /nfs/dbraw/zinc/19/92/65/565199265.db2.gz WTUPNRNGOCDKSZ-ZDUSSCGKSA-N 1 0 376.254 2.717 20 0 GFADRO O=C(N[C@@H]1CC[NH2+]C12CCC2)c1ccn(-c2cccc(Br)c2)n1 ZINC000638501928 565199293 /nfs/dbraw/zinc/19/92/93/565199293.db2.gz HYAAFZNYXDKLDP-OAHLLOKOSA-N 1 0 375.270 2.649 20 0 GFADRO COc1ccc(Br)cc1C(=O)CCC(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000638501079 565199342 /nfs/dbraw/zinc/19/93/42/565199342.db2.gz YNKNHOGARKLXKW-INIZCTEOSA-N 1 0 395.297 2.821 20 0 GFADRO [NH3+][C@@H]1CN(C(=O)Nc2ccnn2Cc2ccc(Br)cc2)CC[C@H]1F ZINC000659009843 565199785 /nfs/dbraw/zinc/19/97/85/565199785.db2.gz MXZVGLAAQMDFTQ-ZIAGYGMSSA-N 1 0 396.264 2.597 20 0 GFADRO Cc1cc(Br)c(Cl)cc1NC(=O)C(=O)N1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000659076886 565200586 /nfs/dbraw/zinc/20/05/86/565200586.db2.gz HWOZPUXIQMUJDN-CABZTGNLSA-N 1 0 388.693 2.545 20 0 GFADRO Cc1cc(Br)c(Cl)cc1NC(=O)C(=O)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000659086440 565201473 /nfs/dbraw/zinc/20/14/73/565201473.db2.gz WJJQXFHARCPWLG-ZJUUUORDSA-N 1 0 388.693 2.606 20 0 GFADRO CN1CC[C@H]([NH2+]CCCS(C)(=O)=O)C[C@@H]1c1ccc(Br)cc1 ZINC000638546590 565201592 /nfs/dbraw/zinc/20/15/92/565201592.db2.gz BYWXPAVGRBLSIT-JKSUJKDBSA-N 1 0 389.359 2.609 20 0 GFADRO COc1cc(Br)c(C[NH2+]C[C@@H](OC)C2CCOCC2)cc1OC ZINC000638575693 565203170 /nfs/dbraw/zinc/20/31/70/565203170.db2.gz QTEXLWABQPUUQX-QGZVFWFLSA-N 1 0 388.302 2.998 20 0 GFADRO O=C(Cc1ccc(Br)c(Br)c1)NC[C@H]1CCC[NH2+]1 ZINC000659293472 565210876 /nfs/dbraw/zinc/21/08/76/565210876.db2.gz DWJNTMGWLDZZLV-SNVBAGLBSA-N 1 0 376.092 2.622 20 0 GFADRO COCC[NH2+]CC(=O)N[C@@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC000638597003 565204643 /nfs/dbraw/zinc/20/46/43/565204643.db2.gz VTQASNXKWRALOU-OAHLLOKOSA-N 1 0 380.286 2.660 20 0 GFADRO Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)NCCOCCC[NH3+] ZINC000638660266 565205128 /nfs/dbraw/zinc/20/51/28/565205128.db2.gz CHDRPSVDYXQZPI-UHFFFAOYSA-N 1 0 383.901 2.779 20 0 GFADRO CS(=O)(=O)[C@H]1CCC[C@H]([NH2+]Cc2c(C(F)(F)F)nc3n2CCCC3)C1 ZINC000638659229 565205771 /nfs/dbraw/zinc/20/57/71/565205771.db2.gz AERWOCYXRJCZFI-RYUDHWBXSA-N 1 0 379.448 2.684 20 0 GFADRO C[C@@H]1CC[C@@H](NC(=O)C2(c3ccc(Br)cc3)CCOCC2)C[NH2+]1 ZINC000638647712 565205925 /nfs/dbraw/zinc/20/59/25/565205925.db2.gz INARZHYSNZYDPH-CZUORRHYSA-N 1 0 381.314 2.754 20 0 GFADRO CN1C[C@H]([NH2+][C@@H]2CCN(C)[C@H](c3ccc(Br)cc3)C2)CCC1=O ZINC000638667678 565206440 /nfs/dbraw/zinc/20/64/40/565206440.db2.gz ZATNLQXQRICYEG-ZACQAIPSSA-N 1 0 380.330 2.795 20 0 GFADRO Cc1ccc([C@@H]2OCCC[C@@H]2C[NH2+]Cc2ccc(S(N)(=O)=O)s2)cc1 ZINC000638692094 565207181 /nfs/dbraw/zinc/20/71/81/565207181.db2.gz DAASJUQVQUPFBF-QAPCUYQASA-N 1 0 380.535 2.961 20 0 GFADRO CSCC[C@@H]([NH3+])C(=O)N1CCC(c2nc(-c3ccncc3)cs2)CC1 ZINC000590845577 565207301 /nfs/dbraw/zinc/20/73/01/565207301.db2.gz ZNYGIGCMRXRITD-OAHLLOKOSA-N 1 0 376.551 2.992 20 0 GFADRO CN1CCC[C@H]([NH2+][C@H]2CCN(C)[C@H](c3ccc(Br)cc3)C2)C1=O ZINC000638724688 565208434 /nfs/dbraw/zinc/20/84/34/565208434.db2.gz SUZPDHYWFZBXFL-ULQDDVLXSA-N 1 0 380.330 2.795 20 0 GFADRO C[C@@H]1C[C@@H](NCc2ccc(S(N)(=O)=O)s2)CC[N@@H+]1Cc1ccccc1 ZINC000638720898 565208542 /nfs/dbraw/zinc/20/85/42/565208542.db2.gz LASFBOFDWMSQGT-ZBFHGGJFSA-N 1 0 379.551 2.538 20 0 GFADRO O=C(NCc1cn([C@H]2CC[NH2+]C2)nn1)[C@@H]1C[C@H]1c1cccc(Cl)c1Cl ZINC000638755404 565209683 /nfs/dbraw/zinc/20/96/83/565209683.db2.gz OROKUNJOWWENTR-FPMFFAJLSA-N 1 0 380.279 2.539 20 0 GFADRO [NH3+]C[C@@H](NC(=O)Cc1ccc(Br)c(Br)c1)C1CC1 ZINC000659290102 565210175 /nfs/dbraw/zinc/21/01/75/565210175.db2.gz ILFULCNOLDEZFM-GFCCVEGCSA-N 1 0 376.092 2.608 20 0 GFADRO CC(C)(C)O[C@@H]1C[C@@H]([NH2+]C[C@@H](O)CS(=O)(=O)c2cccs2)C12CCC2 ZINC000638773358 565210352 /nfs/dbraw/zinc/21/03/52/565210352.db2.gz JXJYNIYLZMGCMJ-RBSFLKMASA-N 1 0 387.567 2.599 20 0 GFADRO COc1ccc(Br)c(C(=O)N2CCC(CO[C@H]3CC[NH2+]C3)CC2)c1 ZINC000638775479 565210374 /nfs/dbraw/zinc/21/03/74/565210374.db2.gz HQEPQMXHPGKRIY-HNNXBMFYSA-N 1 0 397.313 2.688 20 0 GFADRO Brc1cnc2c(C[NH2+][C@H]3CCO[C@]4(CCSC4)C3)cnn2c1 ZINC000638775997 565210712 /nfs/dbraw/zinc/21/07/12/565210712.db2.gz LBAMABDLLCVAHQ-DZGCQCFKSA-N 1 0 383.315 2.636 20 0 GFADRO COc1cc(Br)ccc1C(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000638781651 565211849 /nfs/dbraw/zinc/21/18/49/565211849.db2.gz HLRRZPUUVLKVAS-HNNXBMFYSA-N 1 0 397.313 2.688 20 0 GFADRO O=C(N[C@@H]1CC12CC[NH2+]CC2)c1cc(-c2ccc(Br)cc2)no1 ZINC000659314196 565212003 /nfs/dbraw/zinc/21/20/03/565212003.db2.gz QVEKUAYJFOMPON-OAHLLOKOSA-N 1 0 376.254 2.976 20 0 GFADRO CC1(C)C[NH2+][C@H]1C(=O)NCc1ccc(I)c(Cl)c1 ZINC000591685873 565236634 /nfs/dbraw/zinc/23/66/34/565236634.db2.gz XTRJDFOQBIZLFO-NSHDSACASA-N 1 0 378.641 2.559 20 0 GFADRO O=C([C@@H]1C[NH2+]CCC1(F)F)N1CCOC[C@H]1c1ccc(Br)cc1 ZINC000659358005 565214066 /nfs/dbraw/zinc/21/40/66/565214066.db2.gz FLWSGZKEQTWQML-KBPBESRZSA-N 1 0 389.240 2.594 20 0 GFADRO C[C@H](CC(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1)n1cc(Br)cn1 ZINC000659364632 565214725 /nfs/dbraw/zinc/21/47/25/565214725.db2.gz RFAPAAIXHRUIMY-MLGOLLRUSA-N 1 0 393.285 2.896 20 0 GFADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1[nH]c2ccccc2c1Br ZINC000591061235 565215547 /nfs/dbraw/zinc/21/55/47/565215547.db2.gz VFRBCHSAXJOVCG-GFCCVEGCSA-N 1 0 380.286 2.771 20 0 GFADRO O=C([C@@H]1C[C@@]12CCC[NH2+]C2)N1CCOC[C@@H]1c1cccc(Br)c1 ZINC000659371859 565215794 /nfs/dbraw/zinc/21/57/94/565215794.db2.gz YOKCRTZTFHKHJF-LZLYRXPVSA-N 1 0 379.298 2.739 20 0 GFADRO COC[C@]1(C(=O)Nc2cc(OC)c(Br)cc2Cl)CC[NH2+]C1 ZINC000659380935 565215832 /nfs/dbraw/zinc/21/58/32/565215832.db2.gz FVBBBHPWTJIOQY-AWEZNQCLSA-N 1 0 377.666 2.676 20 0 GFADRO CO[C@@H](c1ccc(Br)cc1)[C@H](C)NC(=O)NCC12CC(C1)C[NH2+]2 ZINC000659477501 565218192 /nfs/dbraw/zinc/21/81/92/565218192.db2.gz JOIIEOZTPIVTDI-AOUUJYHQSA-N 1 0 382.302 2.576 20 0 GFADRO CO[C@@H](c1ccccc1Cl)[C@H](C)[NH2+]Cc1ccc(S(N)(=O)=O)cc1F ZINC000638912065 565218393 /nfs/dbraw/zinc/21/83/93/565218393.db2.gz HPBSWXVEHAEVBJ-APPDUMDISA-N 1 0 386.876 2.992 20 0 GFADRO [NH3+]C[C@H]1CC[C@H](NC(=O)c2ccn(-c3cccc(Br)c3)n2)CC1 ZINC000638948672 565219001 /nfs/dbraw/zinc/21/90/01/565219001.db2.gz OKGVFGKNOTXLQH-MQMHXKEQSA-N 1 0 377.286 2.882 20 0 GFADRO CC1(C)CN(C(=O)NC[C@H]2C[NH2+]CCCO2)c2cc(Br)ccc21 ZINC000659547713 565219998 /nfs/dbraw/zinc/21/99/98/565219998.db2.gz AJELIIXVUMODHL-CYBMUJFWSA-N 1 0 382.302 2.635 20 0 GFADRO COC(=O)c1cc(NC(=O)N2C[C@H](C)[NH2+]C[C@@H]2C)c(Br)cc1F ZINC000591287243 565220817 /nfs/dbraw/zinc/22/08/17/565220817.db2.gz GPBNKOYISNSSBA-IUCAKERBSA-N 1 0 388.237 2.589 20 0 GFADRO O=C(c1cc(=O)[nH]c2c(Br)cccc12)N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000639021564 565220844 /nfs/dbraw/zinc/22/08/44/565220844.db2.gz HYQDQCCKJGPEJZ-XHDPSFHLSA-N 1 0 390.281 2.917 20 0 GFADRO CC(C)[C@H]([NH3+])CCNC(=O)N1CCOC[C@H]1c1ccc(Br)cc1 ZINC000659620053 565220994 /nfs/dbraw/zinc/22/09/94/565220994.db2.gz FZESMAZHNBDGIG-CVEARBPZSA-N 1 0 384.318 2.905 20 0 GFADRO COc1cc(CNC[C@H]2CCCC[NH2+]2)cc(I)c1OC ZINC000591275689 565220913 /nfs/dbraw/zinc/22/09/13/565220913.db2.gz ZJWBGOPISOGTJI-GFCCVEGCSA-N 1 0 390.265 2.540 20 0 GFADRO CC1([NH3+])CCN(C(=O)Nc2cc(F)c(F)cc2I)CC1 ZINC000591288149 565221786 /nfs/dbraw/zinc/22/17/86/565221786.db2.gz ANASWLWIKMFUBQ-UHFFFAOYSA-N 1 0 395.191 2.915 20 0 GFADRO C[C@H](c1ccncc1)[N@H+](C)Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000639041142 565221774 /nfs/dbraw/zinc/22/17/74/565221774.db2.gz SMOPDTMCZZAWDB-LLVKDONJSA-N 1 0 384.299 2.685 20 0 GFADRO [NH3+][C@H]1CC[C@H](NC(=O)c2ncc(Br)cc2Br)CC1 ZINC000639030101 565222085 /nfs/dbraw/zinc/22/20/85/565222085.db2.gz AHJHPYDVTMIUOD-KYZUINATSA-N 1 0 377.080 2.606 20 0 GFADRO COc1cc(Cl)c(C[N@@H+]2CC[C@H](C(=O)NCC(F)(F)F)C2)cc1OC ZINC000639073437 565223282 /nfs/dbraw/zinc/22/32/82/565223282.db2.gz CZAKSKGCVYSSNS-JTQLQIEISA-N 1 0 380.794 2.858 20 0 GFADRO CNS(=O)(=O)c1ccc(C[N@H+](C)Cc2ccc(Br)cc2)cc1 ZINC000659826269 565225456 /nfs/dbraw/zinc/22/54/56/565225456.db2.gz DTETUCRRYDPZGJ-UHFFFAOYSA-N 1 0 383.311 2.989 20 0 GFADRO COc1ccc(Br)cc1C[N@H+](C)CCc1nnn(C(C)(C)C)n1 ZINC000659827581 565225486 /nfs/dbraw/zinc/22/54/86/565225486.db2.gz SBBKSQGSAKNONX-UHFFFAOYSA-N 1 0 382.306 2.874 20 0 GFADRO CO[C@H](C[NH2+]C[C@H](CO)Cc1ccc(Br)cc1)C1CCOCC1 ZINC000639105827 565226352 /nfs/dbraw/zinc/22/63/52/565226352.db2.gz RVDALALBPGPLAX-CRAIPNDOSA-N 1 0 386.330 2.631 20 0 GFADRO C[N@H+](CCNC(=O)NCc1cc2c(c(Br)c1)OCO2)C1CCCC1 ZINC000591417707 565230053 /nfs/dbraw/zinc/23/00/53/565230053.db2.gz IYPYLYFRHPRHQC-UHFFFAOYSA-N 1 0 398.301 2.851 20 0 GFADRO FC(F)(F)c1ccc(I)c(N2CC[C@@H]3CC[NH2+][C@H]3C2)n1 ZINC000591439866 565231431 /nfs/dbraw/zinc/23/14/31/565231431.db2.gz ZFNGZYBZFHVFLC-WPRPVWTQSA-N 1 0 397.182 2.893 20 0 GFADRO C[C@@H]([NH2+][C@@H]1CCCNC(=O)C1)c1ccc(Br)cc1OCCCO ZINC000639198942 565232128 /nfs/dbraw/zinc/23/21/28/565232128.db2.gz UNUDNYRMOATOOU-TZMCWYRMSA-N 1 0 385.302 2.530 20 0 GFADRO Fc1ccccc1N1CC[C@H]([NH2+]Cc2cnn3cc(Br)cnc23)C1 ZINC000639223329 565233499 /nfs/dbraw/zinc/23/34/99/565233499.db2.gz PECKMFAGUHWYMY-AWEZNQCLSA-N 1 0 390.260 2.999 20 0 GFADRO CCn1ccnc1[C@H](NC[C@@H](C)[NH3+])c1ccc(I)cc1 ZINC000591581389 565234002 /nfs/dbraw/zinc/23/40/02/565234002.db2.gz UMXKAXSAJHDWAN-BXUZGUMPSA-N 1 0 384.265 2.534 20 0 GFADRO Cc1ccc(C[C@H](CO)C[NH2+]CCCc2cnn(C)c2)cc1Br ZINC000639246567 565235331 /nfs/dbraw/zinc/23/53/31/565235331.db2.gz RUFCELMVILUJTO-KRWDZBQOSA-N 1 0 380.330 2.864 20 0 GFADRO COCC(=O)N1CCC([NH2+]CC2=Cc3cc(Cl)cc(Cl)c3OC2)CC1 ZINC000591700531 565236009 /nfs/dbraw/zinc/23/60/09/565236009.db2.gz JCZFMLIYOIBENS-UHFFFAOYSA-N 1 0 385.291 2.996 20 0 GFADRO Cn1nccc1[C@@H](CO)[NH2+][C@H]1CCN(C)[C@H](c2ccc(Br)cc2)C1 ZINC000639257400 565236747 /nfs/dbraw/zinc/23/67/47/565236747.db2.gz NDWVTGOKQNPBMP-JZXOWHBKSA-N 1 0 393.329 2.641 20 0 GFADRO C[S@](=O)c1ccc(C[NH2+]C[C@H](O)COc2cccc(Br)c2)cc1 ZINC000591749309 565238481 /nfs/dbraw/zinc/23/84/81/565238481.db2.gz BOOUKZQHYOYIGV-WNSKOXEYSA-N 1 0 398.322 2.716 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+]C[C@H]2CCN(c3ccccc3Cl)C2)cc1 ZINC000639304615 565239628 /nfs/dbraw/zinc/23/96/28/565239628.db2.gz YGZCZJLVOWVBFX-OAHLLOKOSA-N 1 0 379.913 2.604 20 0 GFADRO C[N@H+](C[C@H](O)COc1cc(Cl)cc(Cl)c1)C[C@@H]1CNc2ccnn2C1 ZINC000639359343 565242065 /nfs/dbraw/zinc/24/20/65/565242065.db2.gz CQJDHJYQXLCVQU-WFASDCNBSA-N 1 0 385.295 2.603 20 0 GFADRO C[C@]12C[NH+](Cc3csc(-c4ccc(Cl)cc4)n3)C[C@]1(C)C(=O)NC2=O ZINC000639363081 565242644 /nfs/dbraw/zinc/24/26/44/565242644.db2.gz YGXDOIXBKFXZHT-QZTJIDSGSA-N 1 0 375.881 2.948 20 0 GFADRO C[NH+](C)CCCNC(=O)NCc1cc(Cl)cc(I)c1 ZINC000591864083 565242690 /nfs/dbraw/zinc/24/26/90/565242690.db2.gz OZCUTMXQXYRLNI-UHFFFAOYSA-N 1 0 395.672 2.696 20 0 GFADRO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)[C@@H](C)c1cccc(Br)c1 ZINC000617507897 565244563 /nfs/dbraw/zinc/24/45/63/565244563.db2.gz NYDKVQQMUVJUSJ-GJZGRUSLSA-N 1 0 384.362 2.941 20 0 GFADRO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)Cc1ccc(F)cc1Br ZINC000617507056 565244621 /nfs/dbraw/zinc/24/46/21/565244621.db2.gz GOTBBFIJYCAFDB-ZDUSSCGKSA-N 1 0 388.325 2.519 20 0 GFADRO O=C(Nc1ccc(Br)cn1)C1CC[NH+](Cc2cc[nH]c(=O)c2)CC1 ZINC000639522999 565249823 /nfs/dbraw/zinc/24/98/23/565249823.db2.gz RJLWTDZWQXUKOJ-UHFFFAOYSA-N 1 0 391.269 2.795 20 0 GFADRO CC(=O)NCC[C@H]1CCC[N@H+](C[C@H](O)COc2cc(Cl)cc(Cl)c2)C1 ZINC000639646083 565253266 /nfs/dbraw/zinc/25/32/66/565253266.db2.gz AWYUTIDSNNBMRP-PBHICJAKSA-N 1 0 389.323 2.971 20 0 GFADRO C[C@H]([NH2+]CCc1cnccn1)c1ccc(Br)cc1OCCCO ZINC000639651845 565253333 /nfs/dbraw/zinc/25/33/33/565253333.db2.gz JFWQOJHCUXETSO-ZDUSSCGKSA-N 1 0 380.286 2.894 20 0 GFADRO O[C@@H](COc1cc(Cl)cc(Cl)c1)C[NH+]1CCC(Cn2cnnc2)CC1 ZINC000639728748 565256274 /nfs/dbraw/zinc/25/62/74/565256274.db2.gz FVHTWWJFGFEULL-MRXNPFEDSA-N 1 0 385.295 2.737 20 0 GFADRO C[NH+](C)C[C@H]1COC2(CCCC2)CN1S(=O)(=O)Cc1ccccc1Cl ZINC000660149740 565259818 /nfs/dbraw/zinc/25/98/18/565259818.db2.gz FLXZSWVYGYEMRV-INIZCTEOSA-N 1 0 386.945 2.745 20 0 GFADRO C[NH+](C)CCC[C@H]1CN(S(=O)(=O)c2cc(Cl)ccc2Cl)CCO1 ZINC000660156905 565261465 /nfs/dbraw/zinc/26/14/65/565261465.db2.gz IARRLWLEOCILIW-ZDUSSCGKSA-N 1 0 381.325 2.725 20 0 GFADRO CCO[C@@H]1C[C@@H]([NH2+]C[C@@H](O)COc2ccc(Br)cc2)[C@@H]1SC ZINC000592169359 565261897 /nfs/dbraw/zinc/26/18/97/565261897.db2.gz ZCUKHCCANQZFOM-MIGQKNRLSA-N 1 0 390.343 2.687 20 0 GFADRO CSc1ccc(S(=O)(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)cc1Cl ZINC000660156561 565262083 /nfs/dbraw/zinc/26/20/83/565262083.db2.gz KJGOFXHLOHPHHE-ZDUSSCGKSA-N 1 0 392.974 2.793 20 0 GFADRO CC(C)[C@@H]1CN(S(=O)(=O)c2c(Cl)cccc2Br)CC[NH2+]1 ZINC000660184402 565265281 /nfs/dbraw/zinc/26/52/81/565265281.db2.gz LIBUOGDKKFPYDF-LBPRGKRZSA-N 1 0 381.723 2.721 20 0 GFADRO CO[C@@H]1CS(=O)(=O)C[C@@H]1N[C@H](C)c1sc(-c2ccc(F)cc2)nc1C ZINC000660266049 565268299 /nfs/dbraw/zinc/26/82/99/565268299.db2.gz MTCTZRNTSZLHKK-WKPIXPDZSA-N 1 0 384.498 2.720 20 0 GFADRO CC1([NH3+])CCN(C(=O)c2ccc(I)c(Cl)c2)CC1 ZINC000592328309 565270284 /nfs/dbraw/zinc/27/02/84/565270284.db2.gz BVCCBLKETWTHDR-UHFFFAOYSA-N 1 0 378.641 2.898 20 0 GFADRO Cn1cc(C(=O)NC[C@@H]2CCCN2Cc2csc(Br)c2)cn1 ZINC000639975392 565272203 /nfs/dbraw/zinc/27/22/03/565272203.db2.gz CRHKVWDZFIPMIZ-ZDUSSCGKSA-N 1 0 383.315 2.639 20 0 GFADRO OCC[C@H]1CCC[N@H+](C[C@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000592391301 565273802 /nfs/dbraw/zinc/27/38/02/565273802.db2.gz RKPCYRNYOVRNPL-OCCSQVGLSA-N 1 0 392.721 2.937 20 0 GFADRO CCO[C@@H]1C[C@@H]([NH2+][C@H](C)c2cccc(N3CCCS3(=O)=O)c2)[C@@H]1SC ZINC000592395132 565273951 /nfs/dbraw/zinc/27/39/51/565273951.db2.gz PLEYWEANOZZOJS-PILAGYSTSA-N 1 0 384.567 2.786 20 0 GFADRO O=C(CC[NH+]1CCC(CCO)(CCO)CC1)Nc1ccccc1Br ZINC000640012552 565274544 /nfs/dbraw/zinc/27/45/44/565274544.db2.gz FANYKZYENFODEM-UHFFFAOYSA-N 1 0 399.329 2.625 20 0 GFADRO COc1ccc(NC(=O)CC[N@@H+]2C[C@@H](CO)[C@H](C(F)(F)F)C2)cc1Cl ZINC000640044676 565276448 /nfs/dbraw/zinc/27/64/48/565276448.db2.gz YFBMTELFIYTONP-CMPLNLGQSA-N 1 0 380.794 2.780 20 0 GFADRO CN(CC1C[NH+](C)C1)C(=O)c1ccc(Br)c(OC(F)(F)F)c1 ZINC000618190175 565278357 /nfs/dbraw/zinc/27/83/57/565278357.db2.gz JSRHPHQOWGZNOF-UHFFFAOYSA-N 1 0 381.192 2.981 20 0 GFADRO C[C@@H](Cc1ccc(Br)cc1)NC(=O)c1cnn2c1[C@@H](C[NH3+])CCC2 ZINC000592495006 565278527 /nfs/dbraw/zinc/27/85/27/565278527.db2.gz NHRXSCCRCDFVDH-GXTWGEPZSA-N 1 0 391.313 2.843 20 0 GFADRO CN(Cc1ccccc1Br)C(=O)c1cnn2c1[C@@H](C[NH3+])CCC2 ZINC000592478951 565278538 /nfs/dbraw/zinc/27/85/38/565278538.db2.gz MVRXLWRZCWGCQH-GFCCVEGCSA-N 1 0 377.286 2.754 20 0 GFADRO [NH3+]C[C@H]1CCCn2ncc(C(=O)NCc3cc(F)ccc3Br)c21 ZINC000592484536 565278786 /nfs/dbraw/zinc/27/87/86/565278786.db2.gz URORHCZUJRLXSX-SNVBAGLBSA-N 1 0 381.249 2.551 20 0 GFADRO CCOC(=O)COc1c(Br)cc(C)cc1C[NH2+][C@H]1CO[C@@H](C)C1 ZINC000592526698 565281076 /nfs/dbraw/zinc/28/10/76/565281076.db2.gz JJSLYEAXKMFXTB-GXTWGEPZSA-N 1 0 386.286 2.966 20 0 GFADRO C[C@@H](Cc1ccccc1Br)NC(=O)c1cnn2c1[C@@H](C[NH3+])CCC2 ZINC000592539308 565281275 /nfs/dbraw/zinc/28/12/75/565281275.db2.gz LIPXGOMXNKMQPX-GXTWGEPZSA-N 1 0 391.313 2.843 20 0 GFADRO O=C(Cc1ccc(I)cc1)N[C@@H]1CC[NH2+]C12CCCC2 ZINC000592570757 565282018 /nfs/dbraw/zinc/28/20/18/565282018.db2.gz QMRFHXUODMCWNZ-CQSZACIVSA-N 1 0 384.261 2.625 20 0 GFADRO CO[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+][C@@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000660534228 565281976 /nfs/dbraw/zinc/28/19/76/565281976.db2.gz DHUPCXOEJPWYRO-LVQVYYBASA-N 1 0 377.428 2.743 20 0 GFADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1CCc2c(ccc(Cl)c2Cl)C1 ZINC000592559099 565282128 /nfs/dbraw/zinc/28/21/28/565282128.db2.gz XHIYKVLEGUPNQO-CYBMUJFWSA-N 1 0 385.339 2.697 20 0 GFADRO COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)c1cc(SC)c(Cl)cc1Cl ZINC000592550653 565282177 /nfs/dbraw/zinc/28/21/77/565282177.db2.gz AZKCKGREUOQFJP-LBPRGKRZSA-N 1 0 377.293 2.692 20 0 GFADRO COC(=O)[C@H]1C[NH2+]CCCN1C(=O)CSCc1ccc(Cl)cc1Cl ZINC000592554887 565282205 /nfs/dbraw/zinc/28/22/05/565282205.db2.gz NUONCKBBQNQZOB-CQSZACIVSA-N 1 0 391.320 2.590 20 0 GFADRO O=S(=O)(NC[C@@H]1CCC[N@H+](CCc2nsc3ccccc32)C1)C1CC1 ZINC000660556865 565282246 /nfs/dbraw/zinc/28/22/46/565282246.db2.gz JJYWUUZZACITHD-AWEZNQCLSA-N 1 0 379.551 2.633 20 0 GFADRO O=C(NCc1ccc(Br)cc1)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000660603236 565285009 /nfs/dbraw/zinc/28/50/09/565285009.db2.gz CLKYLVUCWZPBSB-MRXNPFEDSA-N 1 0 382.302 2.502 20 0 GFADRO CSc1ccc([C@@H](CNC(=O)Nc2csc(C(N)=O)c2)[NH+](C)C)cc1 ZINC000640183127 565285411 /nfs/dbraw/zinc/28/54/11/565285411.db2.gz FUAKSDWIQKATBU-CQSZACIVSA-N 1 0 378.523 2.993 20 0 GFADRO CS(=O)(=O)CC[C@@H]1CCCC[N@@H+]1CC[C@@H]1Sc2ccccc2NC1=O ZINC000660608971 565285702 /nfs/dbraw/zinc/28/57/02/565285702.db2.gz PCMHJQFRYMWYMI-YOEHRIQHSA-N 1 0 382.551 2.779 20 0 GFADRO NC(=O)c1cc(NC(=O)NCC2([NH+]3CCSCC3)CCCCC2)cs1 ZINC000640179752 565285805 /nfs/dbraw/zinc/28/58/05/565285805.db2.gz XNXIJPFADKJNSF-UHFFFAOYSA-N 1 0 382.555 2.720 20 0 GFADRO C[C@H](CNC(=O)Nc1cscc1Br)C[NH+]1CCN(C)CC1 ZINC000640188660 565286592 /nfs/dbraw/zinc/28/65/92/565286592.db2.gz BZXNBLGQHGHEPM-LLVKDONJSA-N 1 0 375.336 2.516 20 0 GFADRO Cn1cc(Br)c(C(=O)N2CC[C@H]([N@H+](C)CCc3ccccc3)C2)n1 ZINC000618352219 565291483 /nfs/dbraw/zinc/29/14/83/565291483.db2.gz JGEKEIPOVSHDTH-HNNXBMFYSA-N 1 0 391.313 2.572 20 0 GFADRO COc1ncc(Br)cc1C[NH2+][C@H](C1CCOCC1)C1(CO)CCC1 ZINC000660864640 565296757 /nfs/dbraw/zinc/29/67/57/565296757.db2.gz SPHSYQDBEJAPII-MRXNPFEDSA-N 1 0 399.329 2.900 20 0 GFADRO Cn1cc(Br)c(NC(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)n1 ZINC000640307741 565296778 /nfs/dbraw/zinc/29/67/78/565296778.db2.gz HPVRYIKBOBDPOQ-LBPRGKRZSA-N 1 0 398.330 3.203 20 0 GFADRO C[NH+](C)CCn1ccc(NC(=O)CCc2nc3cc(Cl)ccc3s2)n1 ZINC000593050229 565309530 /nfs/dbraw/zinc/30/95/30/565309530.db2.gz UIGWULLNGGPNGY-UHFFFAOYSA-N 1 0 377.901 3.279 20 0 GFADRO Brc1csc(-c2noc(CN3CC[C@H](Cn4ccnn4)C3)n2)c1 ZINC000661144795 565309623 /nfs/dbraw/zinc/30/96/23/565309623.db2.gz NEASVPTYNWSIQF-JTQLQIEISA-N 1 0 395.286 2.674 20 0 GFADRO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[N@@H+]1CC[C@@H](Cn2ccnn2)C1 ZINC000661140427 565310587 /nfs/dbraw/zinc/31/05/87/565310587.db2.gz IIQDHEJEFJQWPE-CYBMUJFWSA-N 1 0 382.295 2.565 20 0 GFADRO CO[C@@H]1CCC[C@@H]([C@@H](CO)[NH2+]CCC(=O)Nc2cccc(Br)c2)C1 ZINC000661216038 565314193 /nfs/dbraw/zinc/31/41/93/565314193.db2.gz GHPNGUCOJJDZOI-KBRIMQKVSA-N 1 0 399.329 2.933 20 0 GFADRO CO[C@@H]1CCC[C@H]([C@H](CO)[NH2+]C[C@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000661217361 565315044 /nfs/dbraw/zinc/31/50/44/565315044.db2.gz IDNKWKCPKNOKKA-ZJOBFFGXSA-N 1 0 392.323 2.889 20 0 GFADRO COC(=O)[C@@H]1C[N@H+](CCC(=O)Nc2ccc(Br)cc2)C[C@H]1C1CC1 ZINC000593128960 565315568 /nfs/dbraw/zinc/31/55/68/565315568.db2.gz MROZLIQQHKPSON-JKSUJKDBSA-N 1 0 395.297 2.909 20 0 GFADRO [NH3+]CCC1CCN(c2ncnc3ccc(I)cc32)CC1 ZINC000593234855 565321438 /nfs/dbraw/zinc/32/14/38/565321438.db2.gz JZYAUNCTRCBGOX-UHFFFAOYSA-N 1 0 382.249 2.800 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)N[C@H](CO)c1cccc(Br)c1 ZINC000661404092 565322771 /nfs/dbraw/zinc/32/27/71/565322771.db2.gz SNRSMPIRBQFKGM-LSDHHAIUSA-N 1 0 384.318 2.655 20 0 GFADRO C[C@H](CO)[C@@H]1CCCC[N@@H+]1CC(=O)N(C)Cc1cc(Br)cs1 ZINC000661436085 565323512 /nfs/dbraw/zinc/32/35/12/565323512.db2.gz AAEJSRQIJXRWKT-DOMZBBRYSA-N 1 0 389.359 2.952 20 0 GFADRO C[C@@H](NC(=O)C[N@H+]1C[C@]2(C)COC[C@]2(C)C1)c1ccc(Br)cc1 ZINC000661497916 565325812 /nfs/dbraw/zinc/32/58/12/565325812.db2.gz GWKGRRHPFUUMAG-XWIAVFTESA-N 1 0 381.314 2.985 20 0 GFADRO C[C@@H](C(=O)Nc1ccc(Br)cc1)n1cc(C[C@H]2CCC[NH2+]C2)nn1 ZINC000640800724 565328165 /nfs/dbraw/zinc/32/81/65/565328165.db2.gz IARDGBSQOOSUND-QWHCGFSZSA-N 1 0 392.301 2.782 20 0 GFADRO CN(Cc1ccccc1Br)C(=O)Cn1cc([C@@H]([NH3+])C(C)(C)C)nn1 ZINC000640840105 565329805 /nfs/dbraw/zinc/32/98/05/565329805.db2.gz LZMGZJHJUWBHIB-MRXNPFEDSA-N 1 0 394.317 2.745 20 0 GFADRO CC[NH+]1CCN(CC(=O)NC(CCC(F)(F)F)CCC(F)(F)F)CC1 ZINC000619125565 565329870 /nfs/dbraw/zinc/32/98/70/565329870.db2.gz RZAIGZZTSKXRFU-UHFFFAOYSA-N 1 0 377.373 2.794 20 0 GFADRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)NC(C)(C)COc1ncc(Cl)cc1Cl ZINC000640835469 565329931 /nfs/dbraw/zinc/32/99/31/565329931.db2.gz CFKAQEBBXHMVQX-GWCFXTLKSA-N 1 0 375.300 2.986 20 0 GFADRO C[C@@H](NC(=O)Cn1cc(C2CC[NH2+]CC2)nn1)c1ccc(Cl)cc1Cl ZINC000640838314 565330140 /nfs/dbraw/zinc/33/01/40/565330140.db2.gz DPCHDFLNCMBVPS-LLVKDONJSA-N 1 0 382.295 2.929 20 0 GFADRO O=C1[C@H]([N@@H+]2CCC[C@](O)(C3CC3)C2)CCN1c1cccc(Br)c1 ZINC000661632109 565332084 /nfs/dbraw/zinc/33/20/84/565332084.db2.gz NLJFSOZYKQMLCT-SJLPKXTDSA-N 1 0 379.298 2.791 20 0 GFADRO C[N@H+](C[C@H]1CCCN(S(C)(=O)=O)C1)[C@@H](CO)c1cccc(Cl)c1Cl ZINC000661643968 565332813 /nfs/dbraw/zinc/33/28/13/565332813.db2.gz QTDLWQZIHFOYGI-DOMZBBRYSA-N 1 0 395.352 2.630 20 0 GFADRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1c1ncnc2cc(I)sc21 ZINC000593471095 565334495 /nfs/dbraw/zinc/33/44/95/565334495.db2.gz XZTRGAFYSFVKGP-DTWKUNHWSA-N 1 0 388.278 2.825 20 0 GFADRO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)Cn1cc(C2CC[NH2+]CC2)nn1 ZINC000640884546 565335378 /nfs/dbraw/zinc/33/53/78/565335378.db2.gz RWMFPKGNKVDNBU-UHFFFAOYSA-N 1 0 382.295 2.711 20 0 GFADRO C[C@@H]1CN(c2ncnc3cc(I)sc32)C[C@H](C)[N@H+]1C ZINC000593475479 565335710 /nfs/dbraw/zinc/33/57/10/565335710.db2.gz GRVGYLQHCRYPES-DTORHVGOSA-N 1 0 388.278 2.825 20 0 GFADRO CCc1noc([C@@H](C)n2cc([C@H]([NH3+])c3ccc(Br)cc3)nn2)n1 ZINC000640933081 565337648 /nfs/dbraw/zinc/33/76/48/565337648.db2.gz CNIRWBSNMMUTEQ-YMTOWFKASA-N 1 0 377.246 2.643 20 0 GFADRO Cc1[nH]nc(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c1-c1ccc(Br)cc1 ZINC000640943055 565338978 /nfs/dbraw/zinc/33/89/78/565338978.db2.gz HVGGURDWKNMEEH-BXUZGUMPSA-N 1 0 377.286 3.426 20 0 GFADRO COc1ccc(Cn2cc([C@@H]3CCC[NH2+]C3)nn2)c(Br)c1OC ZINC000640989423 565339606 /nfs/dbraw/zinc/33/96/06/565339606.db2.gz KXORNBXIKBYSFJ-LLVKDONJSA-N 1 0 381.274 2.573 20 0 GFADRO [NH3+][C@@H](c1cn(CCOCC(F)(F)F)nn1)c1ccc(Br)cc1 ZINC000640985074 565340083 /nfs/dbraw/zinc/34/00/83/565340083.db2.gz DQFLZOYXAZJODG-GFCCVEGCSA-N 1 0 379.180 2.668 20 0 GFADRO Brc1ccc(/C=C\CCn2cc(CCN3CC[NH2+]CC3)nn2)cc1 ZINC000641057766 565343248 /nfs/dbraw/zinc/34/32/48/565343248.db2.gz GLLGGLDKBIFNPG-IWQZZHSRSA-N 1 0 390.329 2.592 20 0 GFADRO COc1ccc(Br)c(Cn2cc([C@@H]([NH3+])C3CCOCC3)nn2)c1 ZINC000641058899 565344895 /nfs/dbraw/zinc/34/48/95/565344895.db2.gz YPFMQMMUQRUMRE-INIZCTEOSA-N 1 0 381.274 2.524 20 0 GFADRO CC[C@](C)([NH3+])c1cn([C@H]2CCN(c3cccc(Br)c3)C2=O)nn1 ZINC000641105046 565345933 /nfs/dbraw/zinc/34/59/33/565345933.db2.gz OHNAXQROMIJEQH-BBRMVZONSA-N 1 0 378.274 2.603 20 0 GFADRO CC(C)(C)N1CC[C@H](n2cc([C@@H]([NH3+])c3ccc(Br)cc3)nn2)C1=O ZINC000641107424 565346218 /nfs/dbraw/zinc/34/62/18/565346218.db2.gz SEZPSEPIIVZKPB-GJZGRUSLSA-N 1 0 392.301 2.661 20 0 GFADRO CS[C@H]1CN(C(=O)c2nscc2Br)C[C@@H]1[NH+]1CCCC1 ZINC000593604152 565346542 /nfs/dbraw/zinc/34/65/42/565346542.db2.gz XQRMIZLXLQTFRG-QWRGUYRKSA-N 1 0 376.345 2.557 20 0 GFADRO Clc1ccc(-n2cc(Cn3cc([C@@H]4CCC[NH2+]C4)nn3)nn2)cc1Cl ZINC000641111728 565347124 /nfs/dbraw/zinc/34/71/24/565347124.db2.gz TXYYHNCXANAEMN-LLVKDONJSA-N 1 0 378.267 2.681 20 0 GFADRO COc1cc(Br)c(C[N@@H+]2CC[C@H](CN3CCCC3=O)C2)cc1OC ZINC000662061595 565348612 /nfs/dbraw/zinc/34/86/12/565348612.db2.gz UKZLHSKJYCWAMR-ZDUSSCGKSA-N 1 0 397.313 2.911 20 0 GFADRO Cc1cc(N2CCC[C@@H]([N@@H+]3CCC4(COC4)C3)C2=O)ccc1Br ZINC000662071993 565349146 /nfs/dbraw/zinc/34/91/46/565349146.db2.gz FDGAHDBNSFUXOP-MRXNPFEDSA-N 1 0 379.298 2.975 20 0 GFADRO O=C(NCC12CCC[NH+]1CCC2)c1ccc(I)c(F)c1 ZINC000619574121 565350031 /nfs/dbraw/zinc/35/00/31/565350031.db2.gz QVGMCBVJYALAKW-UHFFFAOYSA-N 1 0 388.224 2.789 20 0 GFADRO O[C@H]1CC[N@@H+](C2CCN(Cc3nc4cc(Br)ccc4o3)CC2)C1 ZINC000662152391 565351267 /nfs/dbraw/zinc/35/12/67/565351267.db2.gz TYOOGTSJIIGFOF-AWEZNQCLSA-N 1 0 380.286 2.621 20 0 GFADRO CC[NH2+]CCCNC(=O)Cc1ccc(Br)c(Br)c1 ZINC000662399523 565366238 /nfs/dbraw/zinc/36/62/38/565366238.db2.gz PWFFHGVMJVRFAC-UHFFFAOYSA-N 1 0 378.108 2.870 20 0 GFADRO C[C@H]([NH2+]CC[C@]1(O)CCOC1)c1ccc(F)c(I)c1 ZINC000593725304 565358031 /nfs/dbraw/zinc/35/80/31/565358031.db2.gz XUIVRUKICSJWIO-HZMBPMFUSA-N 1 0 379.213 2.622 20 0 GFADRO C[C@@H]([NH2+]CC[C@@]1(O)CCCOC1)c1ccc(I)cc1 ZINC000593719830 565358367 /nfs/dbraw/zinc/35/83/67/565358367.db2.gz HZPFUYVNASJGML-DOMZBBRYSA-N 1 0 375.250 2.873 20 0 GFADRO O=C(Nc1cc(Cl)cc(Cl)c1)[C@H]1CCCN1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662251913 565358351 /nfs/dbraw/zinc/35/83/51/565358351.db2.gz INPAFRGQOXCYIP-HZPDHXFCSA-N 1 0 384.307 2.917 20 0 GFADRO CCOC(=O)c1cc(Br)ccc1NC(=O)NCCC1(C[NH3+])CC1 ZINC000593764484 565359543 /nfs/dbraw/zinc/35/95/43/565359543.db2.gz XCZSVQIWQRKWDQ-UHFFFAOYSA-N 1 0 384.274 2.876 20 0 GFADRO COC(=O)c1cc(NC(=O)NCCC2CC[NH2+]CC2)ccc1Br ZINC000593762686 565359780 /nfs/dbraw/zinc/35/97/80/565359780.db2.gz CVFKWWRPLUSYSD-UHFFFAOYSA-N 1 0 384.274 2.747 20 0 GFADRO C[NH+](C)CCN(Cc1ccc(F)cc1F)S(=O)(=O)C[C@@]1(C)CC1(F)F ZINC000641300459 565360548 /nfs/dbraw/zinc/36/05/48/565360548.db2.gz BYNAKVBITMNUAS-OAHLLOKOSA-N 1 0 382.423 2.704 20 0 GFADRO Cn1c(CN2CCO[C@H](CCC[NH+](C)C)C2)nc2ccc(Br)cc21 ZINC000662322277 565360672 /nfs/dbraw/zinc/36/06/72/565360672.db2.gz GLBLTAZTBQKKJZ-OAHLLOKOSA-N 1 0 395.345 2.878 20 0 GFADRO CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)C1 ZINC000619893517 565362146 /nfs/dbraw/zinc/36/21/46/565362146.db2.gz JWXHIBQAWMKNCN-KGLIPLIRSA-N 1 0 384.307 2.947 20 0 GFADRO CCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(-n3cc(Br)cn3)cc2)C1 ZINC000619896528 565362331 /nfs/dbraw/zinc/36/23/31/565362331.db2.gz YLHXJFJJPOHUJW-OAHLLOKOSA-N 1 0 377.286 2.849 20 0 GFADRO CCC[N@@H+]1CC[C@@H](NC(=O)CCNC(=O)Nc2ccc(Br)cc2)C1 ZINC000619893843 565362504 /nfs/dbraw/zinc/36/25/04/565362504.db2.gz LIKCCDBYWIKUPP-OAHLLOKOSA-N 1 0 397.317 2.561 20 0 GFADRO CCC[N@@H+]1CC[C@H](NC(=O)c2nnn(-c3cccc(Br)c3)c2C)C1 ZINC000619895888 565362552 /nfs/dbraw/zinc/36/25/52/565362552.db2.gz XHAVFTHROAIKGQ-AWEZNQCLSA-N 1 0 392.301 2.552 20 0 GFADRO C[NH+](C)CCOC1CCN(c2ncnc(C(F)(F)F)c2Br)CC1 ZINC000641371800 565367286 /nfs/dbraw/zinc/36/72/86/565367286.db2.gz MNRMAPWRNXQAJV-UHFFFAOYSA-N 1 0 397.239 2.805 20 0 GFADRO C[C@H]1CCCN(C(=O)Cc2cccc(I)c2)[C@H]1CC[NH3+] ZINC000593914236 565367380 /nfs/dbraw/zinc/36/73/80/565367380.db2.gz BNNUWBLIFDWXGR-WFASDCNBSA-N 1 0 386.277 2.810 20 0 GFADRO CC(C)[C@H]([NH3+])CNC(=O)Cc1ccc(Br)c(Br)c1 ZINC000662422723 565367573 /nfs/dbraw/zinc/36/75/73/565367573.db2.gz ISRJHGBNPKMXLC-GFCCVEGCSA-N 1 0 378.108 2.854 20 0 GFADRO Cc1cc(NC(=O)c2cn([C@@H]3CCC[NH2+]CC3)nn2)ccc1Br ZINC000662435063 565367631 /nfs/dbraw/zinc/36/76/31/565367631.db2.gz QVXATGMFGBRSOH-CYBMUJFWSA-N 1 0 378.274 2.916 20 0 GFADRO Cc1cc(NC(=O)CNC(=O)C[C@@H](C[NH3+])CC(C)C)ccc1Br ZINC000662429024 565367738 /nfs/dbraw/zinc/36/77/38/565367738.db2.gz NKYSQBFRXPXKGF-ZDUSSCGKSA-N 1 0 384.318 2.823 20 0 GFADRO O=C(NCCSc1ccc(Cl)cc1)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC000662452892 565368797 /nfs/dbraw/zinc/36/87/97/565368797.db2.gz XYRCOGICWFFKNQ-AWEZNQCLSA-N 1 0 379.917 2.768 20 0 GFADRO O=C(NCCCc1cccc(Br)c1)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC000662451008 565368995 /nfs/dbraw/zinc/36/89/95/565368995.db2.gz IGKYUENQMGLNRR-ZDUSSCGKSA-N 1 0 377.286 2.612 20 0 GFADRO NC(=O)NC(=O)CCC[NH+]1CCN(c2cc(Cl)c(Cl)c(Cl)c2)CC1 ZINC000594044374 565373315 /nfs/dbraw/zinc/37/33/15/565373315.db2.gz QTYOCJCHWASGGR-UHFFFAOYSA-N 1 0 393.702 2.744 20 0 GFADRO O=C(c1sc2c(c1Br)CNC2)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000662518533 565374051 /nfs/dbraw/zinc/37/40/51/565374051.db2.gz STKYKKYFMWZKHT-NSHDSACASA-N 1 0 384.343 2.576 20 0 GFADRO COc1cc(Br)ccc1[C@H](C)NC(=O)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC000662534410 565375069 /nfs/dbraw/zinc/37/50/69/565375069.db2.gz AREQBTKIUCMQIL-QWRGUYRKSA-N 1 0 393.285 2.749 20 0 GFADRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)c2cc(F)ccc2I)C1 ZINC000594103280 565376437 /nfs/dbraw/zinc/37/64/37/565376437.db2.gz YGLUOQMUEGEALX-JGZJWPJOSA-N 1 0 376.213 2.500 20 0 GFADRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)c2cccc(F)c2I)C1 ZINC000594102682 565376610 /nfs/dbraw/zinc/37/66/10/565376610.db2.gz PLRRBXAMHLCDOS-AOOOYVTPSA-N 1 0 376.213 2.500 20 0 GFADRO CN(CCc1ccc(Br)cc1)C(=O)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662566011 565377044 /nfs/dbraw/zinc/37/70/44/565377044.db2.gz KDPZADVXFLQGML-CQSZACIVSA-N 1 0 379.220 2.992 20 0 GFADRO [NH3+][C@H](CNC(=O)Cc1ccc(Br)c(Br)c1)C1CC1 ZINC000662552329 565377209 /nfs/dbraw/zinc/37/72/09/565377209.db2.gz XMTRIVRYGOAJSK-GFCCVEGCSA-N 1 0 376.092 2.608 20 0 GFADRO CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)c2sc3c(c2Br)CNC3)CC1 ZINC000662578047 565378449 /nfs/dbraw/zinc/37/84/49/565378449.db2.gz PMNLZONKJOPKEW-OAHLLOKOSA-N 1 0 398.370 2.964 20 0 GFADRO CC[NH2+][C@H](C)CNC(=O)N1CCc2[nH]c3c(cccc3Br)c2C1 ZINC000641532535 565380928 /nfs/dbraw/zinc/38/09/28/565380928.db2.gz ZZEQPFBBTWLWFS-LLVKDONJSA-N 1 0 379.302 2.996 20 0 GFADRO O=C(N[C@H]1CCCN(c2ccccc2Cl)C1)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662726911 565383261 /nfs/dbraw/zinc/38/32/61/565383261.db2.gz JQDRDBAMPXQGOA-BLLLJJGKSA-N 1 0 375.822 2.967 20 0 GFADRO C[N@@H+]1CCC[C@H](CNC(=O)[C@@]2(C(F)(F)F)CC[NH2+]C2)[C@H]1c1cccs1 ZINC000662743931 565383369 /nfs/dbraw/zinc/38/33/69/565383369.db2.gz ABHOXHHFZXZZNT-IVMMDQJWSA-N 1 0 375.460 2.789 20 0 GFADRO CSc1cc(Br)ccc1C(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000620475883 565384663 /nfs/dbraw/zinc/38/46/63/565384663.db2.gz VISKDQMQFXCNLN-CQSZACIVSA-N 1 0 399.354 2.842 20 0 GFADRO O=C(NCCOc1ncc(Cl)cc1Cl)c1cc(C2CC[NH2+]CC2)no1 ZINC000662754490 565384852 /nfs/dbraw/zinc/38/48/52/565384852.db2.gz PJMKNIYXGDCXPR-UHFFFAOYSA-N 1 0 385.251 2.652 20 0 GFADRO O=C(c1c[nH]c2cccc(Br)c12)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000620480780 565386321 /nfs/dbraw/zinc/38/63/21/565386321.db2.gz KTNHXYIBJNAUGQ-ZDUSSCGKSA-N 1 0 392.297 2.602 20 0 GFADRO C[C@H](C[NH+](C)C)[C@H]1CCCCN1S(=O)(=O)c1onc(C2CC2)c1Cl ZINC000641623843 565386627 /nfs/dbraw/zinc/38/66/27/565386627.db2.gz KNMMEZJEVHWGKT-DGCLKSJQSA-N 1 0 375.922 2.946 20 0 GFADRO CC(C)([NH3+])c1cc(C(=O)N2CCOC[C@H]2c2ccc(Br)cc2)on1 ZINC000662872992 565388232 /nfs/dbraw/zinc/38/82/32/565388232.db2.gz SBNAJXTWIMPRTL-ZDUSSCGKSA-N 1 0 394.269 2.845 20 0 GFADRO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N1CCc2ccc(Cl)c(Cl)c2C1 ZINC000662968787 565391047 /nfs/dbraw/zinc/39/10/47/565391047.db2.gz IFYWCMGBHMWZQZ-OAHLLOKOSA-N 1 0 386.323 2.710 20 0 GFADRO CN(C)c1ncc(Br)cc1C(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000620931443 565402360 /nfs/dbraw/zinc/40/23/60/565402360.db2.gz BNLUETCDFUYFSP-UHFFFAOYSA-N 1 0 395.345 2.762 20 0 GFADRO C[NH+](C)CCC[C@@H]1CN(C(=O)c2cn3cc(Cl)cc(Cl)c3n2)CCO1 ZINC000620975964 565403280 /nfs/dbraw/zinc/40/32/80/565403280.db2.gz FANRFTQTXAEBEP-CYBMUJFWSA-N 1 0 385.295 2.824 20 0 GFADRO Clc1cc(Cn2cc(C[NH2+]C3CC3)nn2)ccc1I ZINC000594656403 565404340 /nfs/dbraw/zinc/40/43/40/565404340.db2.gz YIFUYSXGPCAJHF-UHFFFAOYSA-N 1 0 388.640 2.836 20 0 GFADRO C[C@H](NC(=O)C(=O)NC[C@@H]1CCCC[NH2+]1)c1cc(F)c(Cl)cc1Cl ZINC000642096190 565405386 /nfs/dbraw/zinc/40/53/86/565405386.db2.gz NCPSNMBTRSQMPG-UWVGGRQHSA-N 1 0 376.259 2.568 20 0 GFADRO CC(C)[C@H]1CN(C(=O)c2cc(-c3ccc(Br)cc3)n[nH]2)CC[NH2+]1 ZINC000621149937 565408291 /nfs/dbraw/zinc/40/82/91/565408291.db2.gz SWGIRLBDZCXIRL-MRXNPFEDSA-N 1 0 377.286 2.909 20 0 GFADRO CC(C)[C@@H]1CN(C(=O)c2cc(=O)[nH]c3c(Br)cccc23)CC[NH2+]1 ZINC000621154488 565408677 /nfs/dbraw/zinc/40/86/77/565408677.db2.gz MFJWEBZCSYDMDR-AWEZNQCLSA-N 1 0 378.270 2.773 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)c1cc(Br)c[nH]c1=O)c1cccc(F)c1 ZINC000621261862 565413161 /nfs/dbraw/zinc/41/31/61/565413161.db2.gz GYTJFUVMNWINMY-AWEZNQCLSA-N 1 0 382.233 2.722 20 0 GFADRO CNS(=O)(=O)CC[NH+]1CCC(COc2cc(Cl)cc(Cl)c2)CC1 ZINC000621259415 565413480 /nfs/dbraw/zinc/41/34/80/565413480.db2.gz UQJYRJKJGCTPPF-UHFFFAOYSA-N 1 0 381.325 2.633 20 0 GFADRO C[C@@H]([NH2+]C[C@@H](O)COc1ccc(Cl)cc1Br)c1nccn1C ZINC000663369684 565414832 /nfs/dbraw/zinc/41/48/32/565414832.db2.gz DZBKTQCLKFMTAE-ZYHUDNBSSA-N 1 0 388.693 2.927 20 0 GFADRO C[C@H](c1ccccc1)[C@@H](O)C[NH2+]C[C@H](O)COc1cccc(Br)c1 ZINC000663380405 565416278 /nfs/dbraw/zinc/41/62/78/565416278.db2.gz XXURWIKPMVBZNG-LJHODMEESA-N 1 0 394.309 2.943 20 0 GFADRO Cc1cc(Br)cc(C)c1S(=O)(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000594771320 565419259 /nfs/dbraw/zinc/41/92/59/565419259.db2.gz VCAHXBFLEHDCBX-OAHLLOKOSA-N 1 0 387.343 2.829 20 0 GFADRO COC(=O)c1ccc(S(=O)(=O)NC[C@H]2CC[N@@H+](C(C)(C)C)C2)cc1Cl ZINC000594790474 565421876 /nfs/dbraw/zinc/42/18/76/565421876.db2.gz LUGMTVBKFXBALO-GFCCVEGCSA-N 1 0 388.917 2.525 20 0 GFADRO Brc1cnnc(Sc2nnc([C@H]3CCC[NH2+]C3)n2C2CC2)c1 ZINC000663631160 565429085 /nfs/dbraw/zinc/42/90/85/565429085.db2.gz TWFBXEFGCKJYNM-VIFPVBQESA-N 1 0 381.303 2.784 20 0 GFADRO C[NH+](C)CCC[C@@H]1CN(C(=O)NCc2ccc(Br)s2)CCO1 ZINC000663694947 565431737 /nfs/dbraw/zinc/43/17/37/565431737.db2.gz ZPAITWKVQLNMFQ-GFCCVEGCSA-N 1 0 390.347 2.763 20 0 GFADRO COc1cc(NCc2ccnc(OCC[NH+](C)C)c2)c(Br)cn1 ZINC000663755848 565434120 /nfs/dbraw/zinc/43/41/20/565434120.db2.gz SRIDGVZJJVUBGH-UHFFFAOYSA-N 1 0 381.274 2.800 20 0 GFADRO [NH3+][C@]12CCC[C@@H]1CN(C(=O)CNC(=O)c1sc3ccccc3c1Cl)C2 ZINC000621682279 565437149 /nfs/dbraw/zinc/43/71/49/565437149.db2.gz CMQAGGFISKCHEW-ZMZPIMSZSA-N 1 0 377.897 2.624 20 0 GFADRO C[C@H](CCNC(=O)NC[C@@H]1CCN(c2cccc(Br)c2)C1)[NH+](C)C ZINC000663803323 565437213 /nfs/dbraw/zinc/43/72/13/565437213.db2.gz FFNCDQSDYKPMBG-CABCVRRESA-N 1 0 397.361 2.915 20 0 GFADRO COc1cc(C[NH2+][C@@H]2CCC[C@H]([S@@](C)=O)C2)cc(Br)c1O ZINC000594966406 565438247 /nfs/dbraw/zinc/43/82/47/565438247.db2.gz RHOBOFDTRGWYQG-SMDDFHAHSA-N 1 0 376.316 2.943 20 0 GFADRO CCS(=O)(=O)C[C@@H](C)[NH2+][C@@H]1CCc2ccc(I)cc21 ZINC000595018699 565443207 /nfs/dbraw/zinc/44/32/07/565443207.db2.gz DPUZTCWMVYPQSO-QMTHXVAHSA-N 1 0 393.290 2.691 20 0 GFADRO C[C@H]([NH2+][C@H]1CCc2ccc(I)cc21)[C@H]1CN(C)CCO1 ZINC000595020908 565443238 /nfs/dbraw/zinc/44/32/38/565443238.db2.gz BGEPPDANPUQOJV-KNXALSJPSA-N 1 0 386.277 2.587 20 0 GFADRO O[C@H](C[NH2+][C@H]1CCc2ccc(I)cc21)COCC1CC1 ZINC000595017960 565443775 /nfs/dbraw/zinc/44/37/75/565443775.db2.gz YILNVBHEQLCYOI-ZBFHGGJFSA-N 1 0 387.261 2.656 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCc2ccc(I)cc21)[C@H]1CN(C)CCO1 ZINC000595020906 565444034 /nfs/dbraw/zinc/44/40/34/565444034.db2.gz BGEPPDANPUQOJV-IUIKQTSFSA-N 1 0 386.277 2.587 20 0 GFADRO C[C@H]1C[C@H](NC(=O)NCC(F)(F)c2ccc(Br)cc2)CC[NH2+]1 ZINC000621848478 565444777 /nfs/dbraw/zinc/44/47/77/565444777.db2.gz YWUHSLBRWZWFAL-GXFFZTMASA-N 1 0 376.245 2.981 20 0 GFADRO O=C(NCC(F)(F)c1ccc(Br)cc1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000621850821 565444836 /nfs/dbraw/zinc/44/48/36/565444836.db2.gz FAGQTUSBMJINHE-HNNXBMFYSA-N 1 0 388.256 2.936 20 0 GFADRO O=C(NCC(F)(F)c1ccc(Br)cc1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000621851309 565444868 /nfs/dbraw/zinc/44/48/68/565444868.db2.gz QLCIEMVZXODUMR-FZMZJTMJSA-N 1 0 388.256 2.934 20 0 GFADRO CC(C)[NH2+]C1(CO)CCN(c2ncnc3cc(Br)sc32)CC1 ZINC000663957398 565445805 /nfs/dbraw/zinc/44/58/05/565445805.db2.gz HQBOAYMXZVNETA-UHFFFAOYSA-N 1 0 385.331 2.783 20 0 GFADRO O=C(N[C@H]1CCc2c1cccc2Br)N1CCN([C@H]2CCOC2)CC1 ZINC000663954804 565445831 /nfs/dbraw/zinc/44/58/31/565445831.db2.gz CHEKQHRAODTWAU-GUYCJALGSA-N 1 0 394.313 2.553 20 0 GFADRO O=C(N[C@@H]1CCc2c1cccc2Br)N1CCN([C@@H]2CCOC2)CC1 ZINC000663954799 565445877 /nfs/dbraw/zinc/44/58/77/565445877.db2.gz CHEKQHRAODTWAU-CXAGYDPISA-N 1 0 394.313 2.553 20 0 GFADRO C[C@H]1CN(Cc2ccccc2)CCN1C(=O)c1cc(Br)c[nH]c1=O ZINC000621876407 565446374 /nfs/dbraw/zinc/44/63/74/565446374.db2.gz XIJAXWJZZFXWAK-ZDUSSCGKSA-N 1 0 390.281 2.896 20 0 GFADRO O=C(NCc1ccc(Br)cc1)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000664024930 565449288 /nfs/dbraw/zinc/44/92/88/565449288.db2.gz ORLDJYNAMATPKL-QGZVFWFLSA-N 1 0 396.329 2.845 20 0 GFADRO O=C(c1cc(Br)c[nH]c1=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000621926946 565449788 /nfs/dbraw/zinc/44/97/88/565449788.db2.gz ZSOPYRFVSRBQLX-ABAIWWIYSA-N 1 0 380.286 2.639 20 0 GFADRO C[NH+](C)CCC[C@H]1CN(C(=O)NCCc2ccc(Br)cc2)CCO1 ZINC000664153742 565453396 /nfs/dbraw/zinc/45/33/96/565453396.db2.gz RPVNGNXFGJUEHV-KRWDZBQOSA-N 1 0 398.345 2.744 20 0 GFADRO C[C@H](NC(=O)[C@@H]1[NH2+]CC1(C)C)c1nc(-c2ccc(Br)cc2)no1 ZINC000643974888 565453720 /nfs/dbraw/zinc/45/37/20/565453720.db2.gz VEKGFVWGUSZTEN-CABZTGNLSA-N 1 0 379.258 2.674 20 0 GFADRO C[C@@H]1CC2(CN1S(=O)(=O)c1ccc(OC(F)F)c(F)c1)CC[NH2+]CC2 ZINC000643970997 565453955 /nfs/dbraw/zinc/45/39/55/565453955.db2.gz LOIXRQURAVUXNM-LLVKDONJSA-N 1 0 378.416 2.580 20 0 GFADRO C[C@H](CNC(=O)[C@H]1C[NH2+]CCC1(F)F)Oc1ccc(Br)cc1 ZINC000643984133 565454253 /nfs/dbraw/zinc/45/42/53/565454253.db2.gz XSCNFAOGPPGOLJ-ZWNOBZJWSA-N 1 0 377.229 2.577 20 0 GFADRO [NH3+][C@]12CCC[C@H]1CN(S(=O)(=O)c1ccc(Cl)cc1Br)C2 ZINC000622015067 565455586 /nfs/dbraw/zinc/45/55/86/565455586.db2.gz PSZAXSCAWKFLAY-ZANVPECISA-N 1 0 379.707 2.604 20 0 GFADRO COc1ccc([C@H](C)NC(=O)[C@H]2C[NH2+]CCC2(F)F)cc1Br ZINC000644041569 565456071 /nfs/dbraw/zinc/45/60/71/565456071.db2.gz ZDRVUKNCFMMAEI-GXSJLCMTSA-N 1 0 377.229 2.880 20 0 GFADRO Cc1cc(COc2ccc(C(=O)N(C)CCC[NH3+])cc2Br)on1 ZINC000644067080 565456522 /nfs/dbraw/zinc/45/65/22/565456522.db2.gz BAUWCEIOFWGUPM-UHFFFAOYSA-N 1 0 382.258 2.745 20 0 GFADRO CCOC(=O)c1c(NC(=O)NCC23CC(C2)C[NH2+]3)sc2c1CCSC2 ZINC000595243334 565458128 /nfs/dbraw/zinc/45/81/28/565458128.db2.gz YLDJKXJRUWKINP-UHFFFAOYSA-N 1 0 381.523 2.588 20 0 GFADRO CCN(C(=O)NC[C@H](C)Oc1ccccc1Br)[C@H]1CC[N@H+](C)C1 ZINC000664321539 565458992 /nfs/dbraw/zinc/45/89/92/565458992.db2.gz UNNLBKQTRCHTCM-KBPBESRZSA-N 1 0 384.318 2.952 20 0 GFADRO CO[C@@H]1CCN(C(=O)c2cnn(-c3ccc(Cl)cc3Cl)c2)[C@@H](C[NH3+])C1 ZINC000644106275 565459251 /nfs/dbraw/zinc/45/92/51/565459251.db2.gz JYLLTELDCKHCBX-ZIAGYGMSSA-N 1 0 383.279 2.757 20 0 GFADRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1cc2c(cc1Br)OCO2 ZINC000622052489 565459345 /nfs/dbraw/zinc/45/93/45/565459345.db2.gz QJVKUZTVIDXYMK-SMDDNHRTSA-N 1 0 381.270 2.877 20 0 GFADRO CCCOc1c(Br)cc(C(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)cc1OC ZINC000644141995 565460323 /nfs/dbraw/zinc/46/03/23/565460323.db2.gz YOIBZYTVTYASJH-RYUDHWBXSA-N 1 0 389.265 2.676 20 0 GFADRO O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1cc2c(cc1Br)OCO2 ZINC000622130754 565464208 /nfs/dbraw/zinc/46/42/08/565464208.db2.gz VHEDHBADTZFTJN-KGLIPLIRSA-N 1 0 381.270 2.925 20 0 GFADRO CC(C)[N@H+](C)CCNC(=O)C(=O)Nc1ccc(OC(F)(F)F)cc1Cl ZINC000664595716 565468316 /nfs/dbraw/zinc/46/83/16/565468316.db2.gz PXTNHUTUUUXPHM-UHFFFAOYSA-N 1 0 381.782 2.634 20 0 GFADRO COc1ccc(CCC(=O)Nc2cnn(CC[NH+](C)C)c2)cc1Br ZINC000622404707 565470771 /nfs/dbraw/zinc/47/07/71/565470771.db2.gz FUCMDVLCLARZHC-UHFFFAOYSA-N 1 0 395.301 2.787 20 0 GFADRO C[C@H]1CN(CCNC(=O)N[C@@H]2C[C@H]2c2ccccc2Br)[C@@H](C)CO1 ZINC000664798992 565479280 /nfs/dbraw/zinc/47/92/80/565479280.db2.gz OAHZVMNXEGRCJV-GZIXRCOHSA-N 1 0 396.329 2.713 20 0 GFADRO C[C@@H]1CN(CCNC(=O)N[C@@H]2C[C@H]2c2ccc(Br)cc2)[C@@H](C)CO1 ZINC000664802120 565480258 /nfs/dbraw/zinc/48/02/58/565480258.db2.gz MVJBEBHTEIOJIX-UWWPHRKUSA-N 1 0 396.329 2.713 20 0 GFADRO CCN(CC)C[C@H](C)[NH2+]CCS(=O)(=O)c1cccc(Br)c1 ZINC000644563165 565481966 /nfs/dbraw/zinc/48/19/66/565481966.db2.gz OSHCFLRXLIMFHJ-ZDUSSCGKSA-N 1 0 377.348 2.543 20 0 GFADRO C[C@H](Cc1ccc(F)c(Br)c1)[NH2+]C[C@@H](O)COC1CCOCC1 ZINC000644599791 565484259 /nfs/dbraw/zinc/48/42/59/565484259.db2.gz UDZQLDTWEPTLFM-TZMCWYRMSA-N 1 0 390.293 2.665 20 0 GFADRO Cn1nc(C[NH2+]C[C@@H](O)COc2ccc(Br)cc2)c2ccccc21 ZINC000644622994 565485485 /nfs/dbraw/zinc/48/54/85/565485485.db2.gz VXEKRCOINXCELD-CQSZACIVSA-N 1 0 390.281 2.865 20 0 GFADRO Cc1nc(CC[NH2+]CCS(=O)(=O)c2cccc(Br)c2)c(C)o1 ZINC000644609584 565485558 /nfs/dbraw/zinc/48/55/58/565485558.db2.gz HOZKOSJTPYYBFT-UHFFFAOYSA-N 1 0 387.299 2.660 20 0 GFADRO COC[C@H](C)OC[C@@H](O)C[NH2+][C@@H]1CCc2c1ccc(F)c2Br ZINC000644661330 565487776 /nfs/dbraw/zinc/48/77/76/565487776.db2.gz UZSLIUOJQYEJCE-ZIBATOQPSA-N 1 0 376.266 2.578 20 0 GFADRO COc1ccc(C[NH2+]C[C@H](O)COc2ccc(Cl)c(Cl)c2)c(OC)n1 ZINC000644651516 565487915 /nfs/dbraw/zinc/48/79/15/565487915.db2.gz SWYUJZMQSYIMPH-LBPRGKRZSA-N 1 0 387.263 2.935 20 0 GFADRO C[N@@H+](Cc1ccc(I)c(Cl)c1)C[C@H]1COCCO1 ZINC000595738566 565490033 /nfs/dbraw/zinc/49/00/33/565490033.db2.gz WJMQANOAIOFPFT-NSHDSACASA-N 1 0 381.641 2.792 20 0 GFADRO C[N@H+]1C[C@H]2[C@@H](CCN2Cc2noc(Cc3ccc(Br)cc3)n2)C1 ZINC000644728296 565491381 /nfs/dbraw/zinc/49/13/81/565491381.db2.gz HADNYQIYGMAGGP-ZFWWWQNUSA-N 1 0 377.286 2.559 20 0 GFADRO O=C(c1nc(C2CC2)ncc1Br)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000623064746 565492555 /nfs/dbraw/zinc/49/25/55/565492555.db2.gz FNRJBIHNAPQUSY-UONOGXRCSA-N 1 0 393.329 2.968 20 0 GFADRO CCOC(=O)CC1([NH2+]CCOc2ccc(Br)cc2)CCOCC1 ZINC000595887060 565496532 /nfs/dbraw/zinc/49/65/32/565496532.db2.gz MDUMBTCABHRUIP-UHFFFAOYSA-N 1 0 386.286 2.920 20 0 GFADRO CCOC(=O)CC1([NH2+]CCOc2cccc(Br)c2)CCOCC1 ZINC000595889342 565496824 /nfs/dbraw/zinc/49/68/24/565496824.db2.gz YGGUIKCQRJCYSF-UHFFFAOYSA-N 1 0 386.286 2.920 20 0 GFADRO O=C(Nc1ccc(I)cc1)c1cc(C2CC[NH2+]CC2)no1 ZINC000595919843 565498923 /nfs/dbraw/zinc/49/89/23/565498923.db2.gz XKBXYTZEIKIGSZ-UHFFFAOYSA-N 1 0 397.216 2.999 20 0 GFADRO [NH3+][C@@H](C(=O)NCc1cc(Cl)ccc1I)C1CCC1 ZINC000595936546 565500096 /nfs/dbraw/zinc/50/00/96/565500096.db2.gz BZYMQZHZVDNGRX-GFCCVEGCSA-N 1 0 378.641 2.688 20 0 GFADRO O=C(NC[C@@H](CO)c1ccc(Cl)cc1)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000665514395 565503134 /nfs/dbraw/zinc/50/31/34/565503134.db2.gz ARIIOEZXAIADHK-WMZOPIPTSA-N 1 0 382.957 2.750 20 0 GFADRO O=S(=O)(CC[NH2+]Cc1ccsc1C(F)(F)F)NCc1ccccc1 ZINC000623378868 565507138 /nfs/dbraw/zinc/50/71/38/565507138.db2.gz VFSZFAARCIQRSL-UHFFFAOYSA-N 1 0 378.441 2.976 20 0 GFADRO O=C(Cc1cscc1Br)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000645013004 565507922 /nfs/dbraw/zinc/50/79/22/565507922.db2.gz IUNCPLJMKZIXPO-AWEZNQCLSA-N 1 0 387.343 2.766 20 0 GFADRO CN1CC[NH+](CCCCNC(=O)NCc2csc(C(F)(F)F)c2)CC1 ZINC000623419366 565509578 /nfs/dbraw/zinc/50/95/78/565509578.db2.gz GIRUUQHAYYDTJF-UHFFFAOYSA-N 1 0 378.464 2.594 20 0 GFADRO O=S(=O)(C[C@H](O)C[NH2+]Cc1csc(C(F)(F)F)c1)c1cccs1 ZINC000623470281 565512782 /nfs/dbraw/zinc/51/27/82/565512782.db2.gz HHUSTTFUXQWYEV-SNVBAGLBSA-N 1 0 385.454 2.753 20 0 GFADRO OC[C@@]1([C@H]([NH2+]Cc2nc3cc(Br)ccc3[nH]2)C2CC2)CCCO1 ZINC000645266514 565518856 /nfs/dbraw/zinc/51/88/56/565518856.db2.gz JFVYPDJYEHCDJN-IAGOWNOFSA-N 1 0 380.286 2.735 20 0 GFADRO Cc1cc(Br)ccc1CNC(=O)N1CCOC2(CC[NH+](C)CC2)C1 ZINC000645277728 565519371 /nfs/dbraw/zinc/51/93/71/565519371.db2.gz CAXGDOAGOCVYRJ-UHFFFAOYSA-N 1 0 396.329 2.764 20 0 GFADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@@H]1OCCc2ccccc21 ZINC000666100623 565522968 /nfs/dbraw/zinc/52/29/68/565522968.db2.gz PAQMSILMLBXRBP-DYVFJYSZSA-N 1 0 377.282 2.903 20 0 GFADRO CN(CC1C[NH+](C)C1)C(=O)Nc1c(F)cc(I)cc1F ZINC000596933863 565543061 /nfs/dbraw/zinc/54/30/61/565543061.db2.gz QQEWGMSQNKUCHQ-UHFFFAOYSA-N 1 0 395.191 2.595 20 0 GFADRO Cc1cnc(N2CCO[C@H](CCC[NH+](C)C)C2)c(I)c1 ZINC000596563980 565527256 /nfs/dbraw/zinc/52/72/56/565527256.db2.gz AHRDVJHQMHXJNM-CYBMUJFWSA-N 1 0 389.281 2.542 20 0 GFADRO Cc1ccc(Br)c(C)c1C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000645461769 565528347 /nfs/dbraw/zinc/52/83/47/565528347.db2.gz JJMQATXEIQMICJ-MRXNPFEDSA-N 1 0 394.357 2.918 20 0 GFADRO Fc1ccc(Br)c(C[NH2+]C[C@H]2CN(Cc3ccncc3)CCO2)c1 ZINC000623782191 565530746 /nfs/dbraw/zinc/53/07/46/565530746.db2.gz LHDCNHQMAINIKL-KRWDZBQOSA-N 1 0 394.288 2.974 20 0 GFADRO CN1CC[NH+](CCCCNC(=O)c2c(Cl)cccc2Br)CC1 ZINC000666326886 565531225 /nfs/dbraw/zinc/53/12/25/565531225.db2.gz ULDYLBMEVJOTGP-UHFFFAOYSA-N 1 0 388.737 2.860 20 0 GFADRO C[C@@H]([NH2+]CCCN1CCCS1(=O)=O)c1cc(F)c(Br)cc1F ZINC000623912052 565535393 /nfs/dbraw/zinc/53/53/93/565535393.db2.gz XTACSIDLBUTDOQ-SNVBAGLBSA-N 1 0 397.285 2.804 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)[C@@H]1CCO[C@H]1c1cncc(Br)c1 ZINC000666451108 565538270 /nfs/dbraw/zinc/53/82/70/565538270.db2.gz INPJYICPYQUCQN-VQHPVUNQSA-N 1 0 394.313 2.665 20 0 GFADRO COC(=O)c1c(Br)ccc(NC(=O)N(C)CC2C[NH+](C)C2)c1C ZINC000596871179 565539013 /nfs/dbraw/zinc/53/90/13/565539013.db2.gz FXUIPMULVAYKRU-UHFFFAOYSA-N 1 0 384.274 2.569 20 0 GFADRO O=C(NC[C@@H]1CC[N@@H+]1Cc1ccccc1)Nc1ccncc1Br ZINC000666492219 565540539 /nfs/dbraw/zinc/54/05/39/565540539.db2.gz BDSXBUZLKDQWDI-AWEZNQCLSA-N 1 0 375.270 2.662 20 0 GFADRO COc1ncc(Br)cc1CNC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000624134451 565545142 /nfs/dbraw/zinc/54/51/42/565545142.db2.gz VGXALYKRIBYENA-MRXNPFEDSA-N 1 0 384.318 2.586 20 0 GFADRO CS(=O)(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCc2cc(Br)ccc21 ZINC000624136373 565545380 /nfs/dbraw/zinc/54/53/80/565545380.db2.gz HGFMQZHBCLFRRY-ARFHVFGLSA-N 1 0 387.343 2.886 20 0 GFADRO C[C@@H]([NH2+][C@@H]1CCCC[C@H]1NS(C)(=O)=O)c1cccc(Br)c1 ZINC000624136737 565545441 /nfs/dbraw/zinc/54/54/41/565545441.db2.gz SWFBEIHCDLPNKR-KCPJHIHWSA-N 1 0 375.332 2.960 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCCC[C@H]1NS(C)(=O)=O)c1ccc(F)cc1OC(F)F ZINC000624137039 565545480 /nfs/dbraw/zinc/54/54/80/565545480.db2.gz AIGCVDLVHBLEQK-ZLKJLUDKSA-N 1 0 380.432 2.938 20 0 GFADRO O=C(NCCCC[NH+]1CCOCC1)[C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21 ZINC000624176200 565546828 /nfs/dbraw/zinc/54/68/28/565546828.db2.gz GEIUMHAUGDSOSC-BPQIPLTHSA-N 1 0 393.325 2.563 20 0 GFADRO C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CCN(C)CC(F)F ZINC000624322145 565551327 /nfs/dbraw/zinc/55/13/27/565551327.db2.gz GAMUISJYMHFTNE-NSHDSACASA-N 1 0 378.261 2.953 20 0 GFADRO CCCN([C@@H]1CC[NH2+]C1)S(=O)(=O)c1cc(F)c(Br)cc1C ZINC000624354434 565552608 /nfs/dbraw/zinc/55/26/08/565552608.db2.gz HMAFOVRKFPYKLH-LLVKDONJSA-N 1 0 379.295 2.659 20 0 GFADRO [NH3+]C[C@H]1CN(S(=O)(=O)c2c(Cl)ccc(F)c2F)CC[C@H]1C(F)(F)F ZINC000624391936 565554381 /nfs/dbraw/zinc/55/43/81/565554381.db2.gz HBTYWWUKRYARME-JGVFFNPUSA-N 1 0 392.777 2.766 20 0 GFADRO C[C@@H]1CC[C@H](NS(=O)(=O)Cc2ccc(Br)cc2Cl)C[NH2+]1 ZINC000624404662 565555959 /nfs/dbraw/zinc/55/59/59/565555959.db2.gz VRMCVSJNZCWDDA-SKDRFNHKSA-N 1 0 381.723 2.662 20 0 GFADRO COC(=O)[C@H]1C[C@H]([NH2+]Cc2cc(Br)cc(Br)c2N)C1 ZINC000597243750 565557082 /nfs/dbraw/zinc/55/70/82/565557082.db2.gz WHLHXNBPDLZUQA-GVJMRKKJSA-N 1 0 392.091 2.835 20 0 GFADRO C[C@@H]1[NH2+]CC[C@H]1NS(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000624415396 565557148 /nfs/dbraw/zinc/55/71/48/565557148.db2.gz GUWYCVOVTLWDED-WRWORJQWSA-N 1 0 376.322 2.753 20 0 GFADRO CC[C@H]1C[N@H+](C)CCCN1C(=O)c1ccc(I)cc1F ZINC000597606101 565567307 /nfs/dbraw/zinc/56/73/07/565567307.db2.gz UQAGTCSGSVMEDC-LBPRGKRZSA-N 1 0 390.240 2.987 20 0 GFADRO Cc1[nH+]c2ccc(Br)cc2c(N2CCO[C@H](CC(N)=O)C2)c1C ZINC000624700228 565572237 /nfs/dbraw/zinc/57/22/37/565572237.db2.gz XRDNMRMUKXQPKO-CYBMUJFWSA-N 1 0 378.270 2.695 20 0 GFADRO COCC[N@@H+]1CCCN(C(=O)C(C)(C)Oc2ccc(Br)cc2)CC1 ZINC000667194734 565576038 /nfs/dbraw/zinc/57/60/38/565576038.db2.gz BTNONZZZNMHRGJ-UHFFFAOYSA-N 1 0 399.329 2.787 20 0 GFADRO C[N@@H+]1CC[C@@](O)(CNC(=O)N[C@@H]2CCCCc3cc(Br)ccc32)C1 ZINC000667212983 565577016 /nfs/dbraw/zinc/57/70/16/565577016.db2.gz GXFJJESTSYQZTE-SJLPKXTDSA-N 1 0 396.329 2.582 20 0 GFADRO Cc1[nH]c2ccc(Br)cc2c1CC(=O)N1CCC2(C[NH+](C)C2)C1 ZINC000646021224 565582471 /nfs/dbraw/zinc/58/24/71/565582471.db2.gz SSFKHSKVIWFOGS-UHFFFAOYSA-N 1 0 376.298 2.945 20 0 GFADRO Cc1cc(Br)c(NC(=O)N2CCO[C@H]([C@@H](C)[NH3+])C2)cc1Cl ZINC000667383456 565584585 /nfs/dbraw/zinc/58/45/85/565584585.db2.gz IQZLIDTWTQUJRI-RNCFNFMXSA-N 1 0 376.682 2.991 20 0 GFADRO O=C(NCC[NH2+]C1CC1)Nc1ccnn1Cc1ccccc1Br ZINC000667430887 565586591 /nfs/dbraw/zinc/58/65/91/565586591.db2.gz WPMHAXANTVONFO-UHFFFAOYSA-N 1 0 378.274 2.567 20 0 GFADRO O=C(CCCCc1ccc(Br)cc1)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000646121396 565587796 /nfs/dbraw/zinc/58/77/96/565587796.db2.gz FUYTWMWCCLFOEB-SFHVURJKSA-N 1 0 394.357 2.668 20 0 GFADRO CC[C@@H](CO)[NH+]1CCN(C(=O)Nc2ccc(Br)c(F)c2C)CC1 ZINC000667501205 565589983 /nfs/dbraw/zinc/58/99/83/565589983.db2.gz QELMQEVNCFPDTR-LBPRGKRZSA-N 1 0 388.281 2.817 20 0 GFADRO Cc1c(F)c(Br)ccc1NC(=O)NC[C@H]1CCC[N@@H+]1CCCO ZINC000667504595 565591241 /nfs/dbraw/zinc/59/12/41/565591241.db2.gz YLEDYVDCSHGVNQ-GFCCVEGCSA-N 1 0 388.281 2.865 20 0 GFADRO O=C(Nc1ccccc1SCC(F)(F)F)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000667506050 565592533 /nfs/dbraw/zinc/59/25/33/565592533.db2.gz KYGNYIZPRDTQMH-LLVKDONJSA-N 1 0 375.416 2.538 20 0 GFADRO O=C(Nc1cc(Cl)cc(C(F)(F)F)c1)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000667537277 565593061 /nfs/dbraw/zinc/59/30/61/565593061.db2.gz VNICBHLEZLRJGZ-ZANVPECISA-N 1 0 375.778 2.508 20 0 GFADRO COCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](Cc2cncc(Br)c2C)C1 ZINC000667544075 565593073 /nfs/dbraw/zinc/59/30/73/565593073.db2.gz VFENRFTYGBEEHU-GXTWGEPZSA-N 1 0 384.318 2.516 20 0 GFADRO CC[C@@H]1CN(C(=O)C(=O)Nc2cc(Br)c(C)cc2C)CC[C@@H]1[NH3+] ZINC000667546118 565593297 /nfs/dbraw/zinc/59/32/97/565593297.db2.gz DJDGZRYHVOIDRL-OCCSQVGLSA-N 1 0 382.302 2.590 20 0 GFADRO Cc1ncc(C[N@@H+]2CCC[C@@H](C(=O)Nc3ccc(Br)cn3)C2)n1C ZINC000667531001 565593333 /nfs/dbraw/zinc/59/33/33/565593333.db2.gz SDMMPINMPYENHJ-CYBMUJFWSA-N 1 0 392.301 2.737 20 0 GFADRO CC(C)Sc1c(Cl)cccc1NC(=O)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000667540626 565593673 /nfs/dbraw/zinc/59/36/73/565593673.db2.gz PGJUMFOPBKNCII-IUODEOHRSA-N 1 0 381.929 2.989 20 0 GFADRO CC[C@@H]1CN(C(=O)C(=O)Nc2cc(Cl)ccc2Br)CC[C@@H]1[NH3+] ZINC000667550446 565594553 /nfs/dbraw/zinc/59/45/53/565594553.db2.gz MIBVUNRVMWHMJU-SKDRFNHKSA-N 1 0 388.693 2.627 20 0 GFADRO C[C@H]1C[C@H](NC(=O)C(=O)Nc2ccccc2SCC(F)(F)F)CC[NH2+]1 ZINC000667556479 565594769 /nfs/dbraw/zinc/59/47/69/565594769.db2.gz GNCFFJIFYSEJEI-WDEREUQCSA-N 1 0 375.416 2.536 20 0 GFADRO C[C@@H]1COCC[N@@H+]1C1CCN(C(=O)Cc2ccc(F)c(Br)c2)CC1 ZINC000646322770 565596812 /nfs/dbraw/zinc/59/68/12/565596812.db2.gz YCOIODROGBWDHD-CYBMUJFWSA-N 1 0 399.304 2.842 20 0 GFADRO COC(=O)[C@H](NC(=O)C[NH+]1[C@H](C)CC[C@H]1C)c1ccccc1Br ZINC000598184052 565598934 /nfs/dbraw/zinc/59/89/34/565598934.db2.gz KSJIEPLRFRXEQE-XHBSWPGZSA-N 1 0 383.286 2.652 20 0 GFADRO Cc1[nH]c(=O)c(C(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc1Br ZINC000646377355 565600874 /nfs/dbraw/zinc/60/08/74/565600874.db2.gz AUGKVDHPPLEJKI-QWHCGFSZSA-N 1 0 382.302 2.710 20 0 GFADRO CC(C)[C@@H](NC(=O)c1ccccc1Br)C(=O)NC[C@H](C)C[NH+](C)C ZINC000646373240 565601176 /nfs/dbraw/zinc/60/11/76/565601176.db2.gz CVRRLGKJMPEUTE-XJKSGUPXSA-N 1 0 398.345 2.517 20 0 GFADRO O[C@@H]1CCC[C@@H]1[NH+]1CCN(Cc2ccc(Br)c(F)c2F)CC1 ZINC000625135372 565601937 /nfs/dbraw/zinc/60/19/37/565601937.db2.gz KUFOWHGCDWLNIK-UONOGXRCSA-N 1 0 375.257 2.758 20 0 GFADRO O=C([C@@H]1CCc2nc[nH]c2C1)N1CCO[C@@H](c2cccc(Br)c2)C1 ZINC000667721645 565602883 /nfs/dbraw/zinc/60/28/83/565602883.db2.gz OVUSMQHIZBEGCH-CXAGYDPISA-N 1 0 390.281 2.877 20 0 GFADRO [NH3+]Cc1cccc(NC(=O)NC[C@@H](CO)Cc2ccccc2Br)c1 ZINC000667735289 565603634 /nfs/dbraw/zinc/60/36/34/565603634.db2.gz PJUCNVPODIESFO-AWEZNQCLSA-N 1 0 392.297 2.881 20 0 GFADRO C[NH+](C)C1(C(=O)N2CCC(C(=O)Nc3ccc(Br)cc3)CC2)CC1 ZINC000667778583 565605195 /nfs/dbraw/zinc/60/51/95/565605195.db2.gz ILHBDRGAYNOQIR-UHFFFAOYSA-N 1 0 394.313 2.720 20 0 GFADRO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)c1ccc(I)cn1 ZINC000598261488 565605894 /nfs/dbraw/zinc/60/58/94/565605894.db2.gz FUTVLYGZDKFTSJ-GFCCVEGCSA-N 1 0 387.265 2.536 20 0 GFADRO CCC[NH2+][C@@H](C)C(=O)N1CCN(Cc2cc(Br)ccc2F)CC1 ZINC000646557586 565608206 /nfs/dbraw/zinc/60/82/06/565608206.db2.gz JXWGYVWXPPWLHQ-ZDUSSCGKSA-N 1 0 386.309 2.621 20 0 GFADRO COc1cccc(OC(F)(F)F)c1S(=O)(=O)N[C@H](C)C[N@H+](C)C(C)C ZINC000625217744 565608504 /nfs/dbraw/zinc/60/85/04/565608504.db2.gz JDKDYAALVNTFKS-LLVKDONJSA-N 1 0 384.420 2.601 20 0 GFADRO C[C@@H]1CN(CCO)CCN1C(=O)Nc1ccc(Br)c2ncccc12 ZINC000667864172 565608632 /nfs/dbraw/zinc/60/86/32/565608632.db2.gz RPZMJVUFDJLHJI-GFCCVEGCSA-N 1 0 393.285 2.528 20 0 GFADRO CC[NH+](CC)CC[C@H](CO)NC(=O)Nc1cccc(Br)c1F ZINC000667919679 565612664 /nfs/dbraw/zinc/61/26/64/565612664.db2.gz LWOQBOLHMQSGKJ-LLVKDONJSA-N 1 0 376.270 2.803 20 0 GFADRO C[C@@H]1CN(C(=O)Nc2cccc(Br)c2F)CC[N@@H+]1CC(C)(C)O ZINC000667921208 565613866 /nfs/dbraw/zinc/61/38/66/565613866.db2.gz ZHAIIYCDSVPNKK-LLVKDONJSA-N 1 0 388.281 2.897 20 0 GFADRO C[C@@H]1CCCN(C(=O)[C@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)[C@@H]1C[NH3+] ZINC000646771381 565618235 /nfs/dbraw/zinc/61/82/35/565618235.db2.gz SKYPNEYVHDIUGD-AXAPSJFSSA-N 1 0 384.307 2.932 20 0 GFADRO C[C@H]([NH3+])[C@H]1CN(C(=O)CCc2nc3cc(Br)ccc3s2)CCO1 ZINC000646841460 565621929 /nfs/dbraw/zinc/62/19/29/565621929.db2.gz XOHWNLMHUMTTEA-GXFFZTMASA-N 1 0 398.326 2.566 20 0 GFADRO O=S(=O)(NC[C@H]1CC[N@@H+]1C1CCCCC1)c1ncccc1Br ZINC000625367008 565623162 /nfs/dbraw/zinc/62/31/62/565623162.db2.gz MHRIZVUOMCYDAR-CYBMUJFWSA-N 1 0 388.331 2.529 20 0 GFADRO COC(=O)c1sc2c(c1Br)CN(C(=O)[C@H](C(C)C)[NH+](C)C)C2 ZINC000598542138 565624588 /nfs/dbraw/zinc/62/45/88/565624588.db2.gz BIEUXOUHZUMGTO-LBPRGKRZSA-N 1 0 389.315 2.726 20 0 GFADRO COCC[C@H](Cc1cccc(Br)c1)C(=O)N1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC000646922406 565626786 /nfs/dbraw/zinc/62/67/86/565626786.db2.gz LZQMKQWIGICABE-SOLBZPMBSA-N 1 0 395.341 2.807 20 0 GFADRO C[N@@H+]1CCCC[C@H](CNS(=O)(=O)c2ccc(OCC(F)(F)F)cc2)C1 ZINC000625419984 565627796 /nfs/dbraw/zinc/62/77/96/565627796.db2.gz BQOLVOMECZPHQY-CYBMUJFWSA-N 1 0 380.432 2.638 20 0 GFADRO C[C@]1(CNC(=O)c2cc(=O)[nH]c3ccc(Br)cc32)CCC[NH2+]C1 ZINC000646965952 565630050 /nfs/dbraw/zinc/63/00/50/565630050.db2.gz IADCARANMMXDHX-KRWDZBQOSA-N 1 0 378.270 2.822 20 0 GFADRO CC1([NH3+])CCN(C(=O)[C@@H]2CCCN2C(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000646995756 565631509 /nfs/dbraw/zinc/63/15/09/565631509.db2.gz PKOCUBDNJPICPR-HNNXBMFYSA-N 1 0 384.307 2.938 20 0 GFADRO O=C(CC[NH+]1CCN(Cc2cn[nH]c2)CC1)Nc1c(Cl)cccc1Cl ZINC000625476116 565632273 /nfs/dbraw/zinc/63/22/73/565632273.db2.gz JZYFRJDNMUUODB-UHFFFAOYSA-N 1 0 382.295 2.863 20 0 GFADRO CC[C@H]1CN(C(=O)c2cnn(-c3cccc(Br)c3)c2)CC[C@H]1[NH3+] ZINC000647011678 565632474 /nfs/dbraw/zinc/63/24/74/565632474.db2.gz IUSHOVPIHYGNQQ-BLLLJJGKSA-N 1 0 377.286 2.834 20 0 GFADRO O=C(CC[C@H]1CCC[NH2+]C1)NCCc1ccc(I)cc1 ZINC000598668878 565633703 /nfs/dbraw/zinc/63/37/03/565633703.db2.gz QZRXURFEQFMOPR-CQSZACIVSA-N 1 0 386.277 2.730 20 0 GFADRO C[C@@H](CC(=O)Nc1ccc2c(c1)C[NH2+]CCO2)n1cc(Br)cn1 ZINC000647050008 565634795 /nfs/dbraw/zinc/63/47/95/565634795.db2.gz HFRGOGOTRXBZFW-NSHDSACASA-N 1 0 379.258 2.717 20 0 GFADRO COCCN(CC[NH+](C)C)C(=O)c1cc(Br)cc(N2CCCC2)c1 ZINC000668308868 565638122 /nfs/dbraw/zinc/63/81/22/565638122.db2.gz MZWUTYACAWXXDG-UHFFFAOYSA-N 1 0 398.345 2.700 20 0 GFADRO C[N@H+](CCNC(=O)[C@@H]1CCO[C@H]1c1cncc(Br)c1)C1CCCC1 ZINC000668313816 565639755 /nfs/dbraw/zinc/63/97/55/565639755.db2.gz BEVWZTKFIVOCKH-SJORKVTESA-N 1 0 396.329 2.912 20 0 GFADRO Cc1cc(C)c(C(=O)NC[C@H](C)N2CC[NH+](C)CC2)c(C)c1Br ZINC000625569929 565639963 /nfs/dbraw/zinc/63/99/63/565639963.db2.gz INVPXGKMJJNMFP-AWEZNQCLSA-N 1 0 382.346 2.740 20 0 GFADRO Cc1c(-c2nc(-c3ccc(Br)cc3)no2)nnn1C1CC[NH2+]CC1 ZINC000647158589 565641572 /nfs/dbraw/zinc/64/15/72/565641572.db2.gz SREFVVAQMJPXQW-UHFFFAOYSA-N 1 0 389.257 2.991 20 0 GFADRO COC(=O)[C@H]1CN(C(=O)[C@@H](C)Cc2ccc(Cl)cc2Cl)CC[N@H+](C)C1 ZINC000598793248 565642655 /nfs/dbraw/zinc/64/26/55/565642655.db2.gz YMJIUIOWINHFNJ-GXTWGEPZSA-N 1 0 387.307 2.735 20 0 GFADRO O[C@@H](CNCc1cc(OC(F)F)ccc1Br)C[NH+]1CCCC1 ZINC000647174491 565644159 /nfs/dbraw/zinc/64/41/59/565644159.db2.gz CSUOEUFWJOWXRJ-LBPRGKRZSA-N 1 0 379.245 2.597 20 0 GFADRO CO[C@H](c1ccc(Cl)cc1)[C@@H](C)[NH2+]Cc1ccc(S(N)(=O)=O)cc1F ZINC000647184724 565644600 /nfs/dbraw/zinc/64/46/00/565644600.db2.gz ZSBQOFMOHJTCHD-DIFFPNOSSA-N 1 0 386.876 2.992 20 0 GFADRO C[NH2+]CC1CCN(S(=O)(=O)Cc2ccc(Br)cc2Cl)CC1 ZINC000647216834 565647408 /nfs/dbraw/zinc/64/74/08/565647408.db2.gz GGMGOFWTLCIVTQ-UHFFFAOYSA-N 1 0 395.750 2.864 20 0 GFADRO CC(C)c1nn(-c2ccc(Br)cc2)cc1C[NH2+][C@H]1CCNC1=O ZINC000668425377 565647595 /nfs/dbraw/zinc/64/75/95/565647595.db2.gz QHESWUIRTVLTIJ-HNNXBMFYSA-N 1 0 377.286 2.736 20 0 GFADRO CC(C)C[C@H](C[NH3+])NS(=O)(=O)c1ccc2c(Br)cn(C)c2c1 ZINC000647221988 565647639 /nfs/dbraw/zinc/64/76/39/565647639.db2.gz OALCNTNMQJPBNS-LLVKDONJSA-N 1 0 388.331 2.593 20 0 GFADRO O=S(=O)(c1ccc(F)c(Br)c1)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647238041 565648377 /nfs/dbraw/zinc/64/83/77/565648377.db2.gz CRIIFLYJVXOPJV-NHYWBVRUSA-N 1 0 391.306 2.741 20 0 GFADRO Cc1c(Br)cccc1S(=O)(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000647238069 565648419 /nfs/dbraw/zinc/64/84/19/565648419.db2.gz DGRQSNOARNQXHN-UKRRQHHQSA-N 1 0 387.343 2.910 20 0 GFADRO CC[C@H]1CN(S(=O)(=O)c2c(C)cc(Br)cc2C)CC[C@@H]1[NH3+] ZINC000647269622 565651478 /nfs/dbraw/zinc/65/14/78/565651478.db2.gz XFKZKGSXWSSDFW-JSGCOSHPSA-N 1 0 375.332 2.814 20 0 GFADRO CC[C@@H]1CN(S(=O)(=O)Cc2ccc(Br)cc2Cl)CC[C@@H]1[NH3+] ZINC000647270116 565651806 /nfs/dbraw/zinc/65/18/06/565651806.db2.gz NPQBKJJGURKDPS-YGRLFVJLSA-N 1 0 395.750 2.992 20 0 GFADRO CC[C@H]1CN(S(=O)(=O)c2cc(C)c(Br)cc2C)CC[C@@H]1[NH3+] ZINC000647268373 565651974 /nfs/dbraw/zinc/65/19/74/565651974.db2.gz AQKQGAIWJPYZLB-JSGCOSHPSA-N 1 0 375.332 2.814 20 0 GFADRO COC(=O)CCNC(=O)CC[NH2+]Cc1cnc(-c2ccc(Cl)cc2)s1 ZINC000599005645 565652916 /nfs/dbraw/zinc/65/29/16/565652916.db2.gz WAPSRPVGJZWKEF-UHFFFAOYSA-N 1 0 381.885 2.623 20 0 GFADRO C[NH2+]C[C@@H]1C[C@H](F)CN1S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000647293390 565655039 /nfs/dbraw/zinc/65/50/39/565655039.db2.gz FDBXIEKQONSYEI-STQMWFEESA-N 1 0 389.905 2.784 20 0 GFADRO C[C@H](CCc1ccc(I)cc1)[NH2+]C[C@H]1COCCN1C ZINC000599081646 565655051 /nfs/dbraw/zinc/65/50/51/565655051.db2.gz TYOIJJYUPCQGGZ-CJNGLKHVSA-N 1 0 388.293 2.533 20 0 GFADRO O=S(=O)(N[C@@H]1CC12CC[NH2+]CC2)c1cc(Br)sc1Cl ZINC000647303218 565655732 /nfs/dbraw/zinc/65/57/32/565655732.db2.gz NGIAFDCUPAMZCN-MRVPVSSYSA-N 1 0 385.736 2.584 20 0 GFADRO OCCOCCN(Cc1cn(-c2ccc(Cl)cc2Cl)nn1)C1CCC1 ZINC000668575077 565656033 /nfs/dbraw/zinc/65/60/33/565656033.db2.gz OWTVLNDOFDRLAA-UHFFFAOYSA-N 1 0 385.295 2.938 20 0 GFADRO O=S(=O)(N[C@H]1C[NH2+]CCC1(F)F)c1cc(C(F)(F)F)ccc1Cl ZINC000647319146 565656771 /nfs/dbraw/zinc/65/67/71/565656771.db2.gz NUMZJUHRSUUNNP-JTQLQIEISA-N 1 0 378.750 2.634 20 0 GFADRO Cc1sc(Br)cc1S(=O)(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000647323109 565657647 /nfs/dbraw/zinc/65/76/47/565657647.db2.gz IVAKDPMUIHYEEV-NEPJUHHUSA-N 1 0 393.372 2.829 20 0 GFADRO C[C@H]1CCCCN1C(=O)C[NH2+][C@@]1(CO)CCc2cc(Br)ccc2C1 ZINC000625794893 565658971 /nfs/dbraw/zinc/65/89/71/565658971.db2.gz OYKZPVGOEXFMPW-LIRRHRJNSA-N 1 0 395.341 2.660 20 0 GFADRO Cc1cc(C)n(CC[NH2+][C@]2(CO)CCc3cc(Br)ccc3C2)n1 ZINC000625795039 565659303 /nfs/dbraw/zinc/65/93/03/565659303.db2.gz QBKLQHZNDKFOIM-GOSISDBHSA-N 1 0 378.314 2.772 20 0 GFADRO C[NH+](C)CCN(C(=O)c1cc(Br)cc2[nH]c(=O)[nH]c21)C1CCCC1 ZINC000668670734 565661001 /nfs/dbraw/zinc/66/10/01/565661001.db2.gz PZCARSSBOYDPLA-UHFFFAOYSA-N 1 0 395.301 2.977 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)C(=O)NCCc1cc(Cl)cc(Cl)c1 ZINC000668667260 565661280 /nfs/dbraw/zinc/66/12/80/565661280.db2.gz VCNFZMNZBUXWDO-HNNXBMFYSA-N 1 0 386.323 2.641 20 0 GFADRO CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N[C@H]2CCSc3ccc(Cl)cc32)C1 ZINC000668706956 565661827 /nfs/dbraw/zinc/66/18/27/565661827.db2.gz AAVXXQHDEIVWIS-HIFRSBDPSA-N 1 0 381.929 2.594 20 0 GFADRO Cc1nn(C)c(NC(=O)N[C@@H]2CC[NH2+]C2)c1-c1ccc(Br)cc1 ZINC000625873101 565663640 /nfs/dbraw/zinc/66/36/40/565663640.db2.gz FPCGTFHKQOZAFY-CYBMUJFWSA-N 1 0 378.274 2.641 20 0 GFADRO OC[C@@H](C[NH2+]C[C@H](O)Cc1ccccc1)Cc1cc(Br)ccc1F ZINC000647536906 565664185 /nfs/dbraw/zinc/66/41/85/565664185.db2.gz ZCTDIIBEJAMNEG-CRAIPNDOSA-N 1 0 396.300 2.932 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)N[C@H](c2nccs2)C(F)(F)F)CC[C@H]1C(F)(F)F ZINC000625890527 565665531 /nfs/dbraw/zinc/66/55/31/565665531.db2.gz LQEBBKHVWVKCMS-IWSPIJDZSA-N 1 0 390.353 2.915 20 0 GFADRO [NH3+]C[C@H](NC(=O)N1CCc2cc(F)cc(Br)c2C1)C(F)(F)F ZINC000625899208 565665873 /nfs/dbraw/zinc/66/58/73/565665873.db2.gz MPIASBRHHBMION-NSHDSACASA-N 1 0 384.171 2.546 20 0 GFADRO C[NH2+]CCOCCN(C)C(=O)Nc1cc(Cl)c(Br)cc1F ZINC000625901407 565666153 /nfs/dbraw/zinc/66/61/53/565666153.db2.gz BTPZIAGRULXPMW-UHFFFAOYSA-N 1 0 382.661 2.941 20 0 GFADRO CC(C)(Oc1ccc(Br)cc1)C(=O)NCCC[NH+]1CCC(O)CC1 ZINC000668894990 565670481 /nfs/dbraw/zinc/67/04/81/565670481.db2.gz FVQPAGLIMRKWDU-UHFFFAOYSA-N 1 0 399.329 2.570 20 0 GFADRO C[NH+](C)C[C@H](CO)NC(=O)c1ccc(-c2ccc(Br)s2)s1 ZINC000647709948 565671757 /nfs/dbraw/zinc/67/17/57/565671757.db2.gz DIUMTOKDIWDEQJ-SECBINFHSA-N 1 0 389.340 2.891 20 0 GFADRO O=C(C[NH2+][C@@H](CCO)c1cc(Cl)cc(Cl)c1)N1CCOC[C@@H]1C1CC1 ZINC000626101379 565674917 /nfs/dbraw/zinc/67/49/17/565674917.db2.gz QNGZPVJQHUMAGF-DLBZAZTESA-N 1 0 387.307 2.644 20 0 GFADRO CC1(C)NC(=O)N(CCC[NH2+][C@@H](CCO)c2cc(Cl)cc(Cl)c2)C1=O ZINC000626100582 565675454 /nfs/dbraw/zinc/67/54/54/565675454.db2.gz RQDNXDSWPIMEAW-AWEZNQCLSA-N 1 0 388.295 2.727 20 0 GFADRO CN(C)c1cc[nH+]cc1C(=O)N1CC[C@@H](Oc2cncc(Br)c2)C1 ZINC000647791128 565676940 /nfs/dbraw/zinc/67/69/40/565676940.db2.gz VIGXKZZYWKRLSP-CYBMUJFWSA-N 1 0 391.269 2.599 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(Br)cc3[nH]c(=O)[nH]c32)[C@@H](C)C1 ZINC000669124397 565678155 /nfs/dbraw/zinc/67/81/55/565678155.db2.gz OXQFPBCDCKYGDR-IINYFYTJSA-N 1 0 395.301 2.833 20 0 GFADRO CC(=O)N[C@H](CC(=O)N1CC[C@@H]([NH+](C)C)[C@H]1C)c1ccc(Br)cc1 ZINC000647831955 565679789 /nfs/dbraw/zinc/67/97/89/565679789.db2.gz RVZZDQRBSFIEJN-CSMYWGQOSA-N 1 0 396.329 2.567 20 0 GFADRO CNS(=O)(=O)C[C@@H]1CCC[N@H+](CCOc2cc(Cl)ccc2Cl)C1 ZINC000626170417 565680894 /nfs/dbraw/zinc/68/08/94/565680894.db2.gz GPNFSSHSHVMBHL-GFCCVEGCSA-N 1 0 381.325 2.633 20 0 GFADRO CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)COC1(C)C[NH2+]C1 ZINC000647905987 565683937 /nfs/dbraw/zinc/68/39/37/565683937.db2.gz UJEHDDNHVJUEHK-UHFFFAOYSA-N 1 0 388.295 2.549 20 0 GFADRO O=C(CCN1CC[NH2+]C[C@H]1c1cccnc1)Nc1ccccc1Br ZINC000647952943 565684804 /nfs/dbraw/zinc/68/48/04/565684804.db2.gz HNKIQKMDMVBTLJ-KRWDZBQOSA-N 1 0 389.297 2.819 20 0 GFADRO CC[C@@H]1CN([C@@H](C)C(=O)N(C)Cc2ccc(Br)cc2)CC[C@@H]1[NH3+] ZINC000647938478 565684820 /nfs/dbraw/zinc/68/48/20/565684820.db2.gz OGGHCUMKDAMDCS-LXZKKBNFSA-N 1 0 382.346 2.855 20 0 GFADRO C[C@@H](NC(=O)N1CCC(C)([NH3+])CC1)c1cc2c(cc1Br)OCCO2 ZINC000669399062 565686694 /nfs/dbraw/zinc/68/66/94/565686694.db2.gz IVOGFHIFIJIZBY-LLVKDONJSA-N 1 0 398.301 2.804 20 0 GFADRO C[C@H]1CN(C(=O)c2csc(C(F)(F)F)c2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000626311548 565687090 /nfs/dbraw/zinc/68/70/90/565687090.db2.gz IIDQNLKEHOKACO-GXTWGEPZSA-N 1 0 375.460 2.865 20 0 GFADRO O=C(N[C@@H]1CCOc2ccc(Br)cc21)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000669406812 565687830 /nfs/dbraw/zinc/68/78/30/565687830.db2.gz PPIUVYWOUCTFDP-KCPJHIHWSA-N 1 0 380.286 2.666 20 0 GFADRO O=C(N[C@@H]1CCOc2ccc(Br)cc21)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000669406810 565688016 /nfs/dbraw/zinc/68/80/16/565688016.db2.gz PPIUVYWOUCTFDP-DFBGVHRSSA-N 1 0 380.286 2.666 20 0 GFADRO CC1([NH3+])CCN(C(=O)N[C@H]2CCN(c3ccc(Br)cc3)C2)CC1 ZINC000669458054 565689593 /nfs/dbraw/zinc/68/95/93/565689593.db2.gz NHYLNPYSNAKXBE-AWEZNQCLSA-N 1 0 381.318 2.551 20 0 GFADRO CC(=O)N[C@H](CC(=O)N[C@@H]1[C@@H](C)CC[NH2+][C@H]1C)c1ccc(Br)cc1 ZINC000648136496 565691192 /nfs/dbraw/zinc/69/11/92/565691192.db2.gz MMWGVOCWRIBKFV-OCVORMKJSA-N 1 0 396.329 2.519 20 0 GFADRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)Nc1ccc(I)cc1Cl ZINC000599596202 565691323 /nfs/dbraw/zinc/69/13/23/565691323.db2.gz MPSHEHDDHALGPR-OIBJUYFYSA-N 1 0 379.629 2.817 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CN(C(=O)NCCOc2c(Cl)cc(Cl)cc2Cl)CCO1 ZINC000669522040 565691342 /nfs/dbraw/zinc/69/13/42/565691342.db2.gz GUOGKHBHIHNHNT-ZANVPECISA-N 1 0 396.702 2.783 20 0 GFADRO CC[C@@H]1CN(C(=O)NC[C@@H](C)Oc2cccc(Br)c2)CC[C@H]1[NH3+] ZINC000669505903 565691684 /nfs/dbraw/zinc/69/16/84/565691684.db2.gz QXWLNMLPWSUJLD-XJKCOSOUSA-N 1 0 384.318 2.985 20 0 GFADRO COC(=O)c1cccc(NC(=O)N[C@@H]2CC[NH2+]C23CCC3)c1Br ZINC000599605672 565692279 /nfs/dbraw/zinc/69/22/79/565692279.db2.gz CUNQBACHJLGILT-GFCCVEGCSA-N 1 0 382.258 2.642 20 0 GFADRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)Nc1ccc(Br)c(C(=O)OC)c1C ZINC000599605650 565692497 /nfs/dbraw/zinc/69/24/97/565692497.db2.gz BZHWWXDWNRZVNQ-WCQYABFASA-N 1 0 384.274 2.806 20 0 GFADRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)Nc1ccc(Cl)cc1I ZINC000599601753 565692631 /nfs/dbraw/zinc/69/26/31/565692631.db2.gz YQYDWWKCFFESDX-OIBJUYFYSA-N 1 0 379.629 2.817 20 0 GFADRO CCOC(=O)c1c(NC(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)sc2c1CCSC2 ZINC000599603902 565692649 /nfs/dbraw/zinc/69/26/49/565692649.db2.gz XCHAMTFPNIRCAD-GHMZBOCLSA-N 1 0 383.539 2.976 20 0 GFADRO O=C(NCc1cc2cc(Br)ccc2[nH]1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000669562180 565693192 /nfs/dbraw/zinc/69/31/92/565693192.db2.gz RUIRDGGOCIPHBX-KGLIPLIRSA-N 1 0 377.286 2.966 20 0 GFADRO CC[C@@H]1CN(C(=O)N[C@H]2CCN(c3cccc(Br)c3)C2)CC[C@@H]1[NH3+] ZINC000669571963 565693238 /nfs/dbraw/zinc/69/32/38/565693238.db2.gz DRVXDEXPOXSQEW-KMFMINBZSA-N 1 0 395.345 2.797 20 0 GFADRO O=C(NCC[C@@H]1CCC[NH2+]C1)N[C@H]1CCOc2c(Br)cccc21 ZINC000669580757 565693618 /nfs/dbraw/zinc/69/36/18/565693618.db2.gz DMUALRCXZUVFFO-WFASDCNBSA-N 1 0 382.302 2.962 20 0 GFADRO O=C(N[C@H](c1cncc(Br)c1)C1CC1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000669582797 565694284 /nfs/dbraw/zinc/69/42/84/565694284.db2.gz USKRDAHQDLNLLE-XZJROXQQSA-N 1 0 379.302 2.689 20 0 GFADRO O=C(NCCc1c[nH]c2cccc(Br)c12)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000669588515 565694542 /nfs/dbraw/zinc/69/45/42/565694542.db2.gz WZAOCRIJQPKZRY-MLGOLLRUSA-N 1 0 391.313 2.866 20 0 GFADRO COCC[N@@H+]1CCC[C@@H](NC(=O)c2c(C)c(C)sc2Br)C1 ZINC000669602388 565695961 /nfs/dbraw/zinc/69/59/61/565695961.db2.gz YETRVYGLJSZUQV-GFCCVEGCSA-N 1 0 375.332 2.968 20 0 GFADRO CCSc1cccc(Br)c1NC(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000626569023 565701140 /nfs/dbraw/zinc/70/11/40/565701140.db2.gz RMKOEZMXCBMTCF-NSHDSACASA-N 1 0 388.331 2.749 20 0 GFADRO Cc1cc(CNC(=O)N[C@H]2CC[C@H](C)[NH2+]C2)ccc1I ZINC000599916990 565705655 /nfs/dbraw/zinc/70/56/55/565705655.db2.gz QYEZUCYDSDTPIP-AAEUAGOBSA-N 1 0 387.265 2.539 20 0 GFADRO CC[NH+](CC)CC[C@@H](CO)NC(=O)c1cc(C)cc(Br)c1F ZINC000626811123 565712261 /nfs/dbraw/zinc/71/22/61/565712261.db2.gz YCYHQELBSAGXGV-LBPRGKRZSA-N 1 0 375.282 2.719 20 0 GFADRO Cc1ccc(Cl)c(NC(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1 ZINC000626861294 565712786 /nfs/dbraw/zinc/71/27/86/565712786.db2.gz NHVKMYGUQZMBRE-WDEREUQCSA-N 1 0 377.794 2.573 20 0 GFADRO Cc1nc(-c2ccc(CCNC(=O)NC3(C[NH3+])CCOCC3)s2)cs1 ZINC000626927082 565715276 /nfs/dbraw/zinc/71/52/76/565715276.db2.gz SRQGHGLWHAAUDQ-UHFFFAOYSA-N 1 0 380.539 2.530 20 0 GFADRO CN(CCOCC[NH3+])C(=O)N[C@H]1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000626938539 565716200 /nfs/dbraw/zinc/71/62/00/565716200.db2.gz TUDSKDIPHRFDSJ-URLYPYJESA-N 1 0 379.345 2.513 20 0 GFADRO Cc1csc(CCCCNC(=O)N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)n1 ZINC000626965698 565717064 /nfs/dbraw/zinc/71/70/64/565717064.db2.gz KXAVXPPUKZPSPS-OLZOCXBDSA-N 1 0 378.464 2.943 20 0 GFADRO C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)N[C@@H]1C[C@H]1c1cccc(Br)c1)C2 ZINC000627023103 565719930 /nfs/dbraw/zinc/71/99/30/565719930.db2.gz LICDSLZQVSXNAO-CIRFHOKZSA-N 1 0 378.314 2.946 20 0 GFADRO CC[C@@H](NC(=O)NCCOCC[NH2+]C)c1cc(F)cc(Br)c1 ZINC000627016441 565719987 /nfs/dbraw/zinc/71/99/87/565719987.db2.gz NUTXBBKNOPTMQE-CQSZACIVSA-N 1 0 376.270 2.575 20 0 GFADRO O=C(NCC/C=C\c1ccc(Br)cc1)NC[C@@H]1C[NH2+]CCCO1 ZINC000627103375 565721618 /nfs/dbraw/zinc/72/16/18/565721618.db2.gz QVBVAKPXLXJHPM-YDOVZFOCSA-N 1 0 382.302 2.530 20 0 GFADRO [NH3+]C1(CNC(=O)N2CC[C@@H](Cc3ccc(Br)cc3)C2)CCOCC1 ZINC000627148594 565723970 /nfs/dbraw/zinc/72/39/70/565723970.db2.gz FMLYRTJJCUAUTA-HNNXBMFYSA-N 1 0 396.329 2.531 20 0 GFADRO C[NH2+]CCOCCNC(=O)N1C[C@@H](c2ccc(Br)cc2)C[C@@H]1C ZINC000627169169 565724611 /nfs/dbraw/zinc/72/46/11/565724611.db2.gz FJSDYPLRBDIUSG-ZFWWWQNUSA-N 1 0 384.318 2.573 20 0 GFADRO CC[NH+](CC)CCSCC(=O)NCc1cc(Br)cnc1OC ZINC000600346329 565724822 /nfs/dbraw/zinc/72/48/22/565724822.db2.gz UCWLUNORNOMDKB-UHFFFAOYSA-N 1 0 390.347 2.544 20 0 GFADRO C[NH2+]CCOCCNC(=O)N1CCC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000627174851 565724817 /nfs/dbraw/zinc/72/48/17/565724817.db2.gz MHAFPNABFKVIJZ-AWEZNQCLSA-N 1 0 390.311 2.782 20 0 GFADRO CC[C@H](CN(C)C(=O)NC[C@@H]1COCC[NH2+]1)Oc1ccc(Cl)c(Cl)c1 ZINC000627188118 565726339 /nfs/dbraw/zinc/72/63/39/565726339.db2.gz LLBGCWPQKZJMDR-CHWSQXEVSA-N 1 0 390.311 2.781 20 0 GFADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N[C@H](C)c1ccc(Br)cc1 ZINC000670571922 565729746 /nfs/dbraw/zinc/72/97/46/565729746.db2.gz LZRZXHKIBLQQJI-CJNGLKHVSA-N 1 0 396.329 2.617 20 0 GFADRO COC(=O)c1cc(Br)cc(C(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)c1 ZINC000600471282 565732033 /nfs/dbraw/zinc/73/20/33/565732033.db2.gz RIECCQHQEMHHDP-INIZCTEOSA-N 1 0 395.297 2.982 20 0 GFADRO C[C@@H]1[C@H](C(=O)N2CCN(Cc3cc(Br)ccc3F)CC2)CC[N@@H+]1C ZINC000648891146 565737180 /nfs/dbraw/zinc/73/71/80/565737180.db2.gz DBQAUBYVGFJCBS-CZUORRHYSA-N 1 0 398.320 2.573 20 0 GFADRO COc1cc(C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc(Br)c1OC ZINC000670772684 565737368 /nfs/dbraw/zinc/73/73/68/565737368.db2.gz WYGDZQILQCKGHO-QWHCGFSZSA-N 1 0 383.286 2.823 20 0 GFADRO CC(C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000627482439 565737682 /nfs/dbraw/zinc/73/76/82/565737682.db2.gz QJCVWZYQPWZXNN-TZMCWYRMSA-N 1 0 386.323 2.987 20 0 GFADRO C[C@H]1CN(C(=O)c2c3ccc(Br)cc3nn2C)CC[N@@H+](C2CC2)C1 ZINC000648916968 565739272 /nfs/dbraw/zinc/73/92/72/565739272.db2.gz SCNJDPPMFIHXMA-GFCCVEGCSA-N 1 0 391.313 2.892 20 0 GFADRO CCSc1ccc(CN2CCC[NH2+]C[C@H]2C(=O)OC)c(Br)c1 ZINC000600712603 565745974 /nfs/dbraw/zinc/74/59/74/565745974.db2.gz YTUFUWMSVCIUKX-HNNXBMFYSA-N 1 0 387.343 2.898 20 0 GFADRO C[N@@H+]1C[C@@H](CNC(=O)c2cc[nH]c(=O)c2Br)[C@H](c2ccccc2)C1 ZINC000649103806 565748710 /nfs/dbraw/zinc/74/87/10/565748710.db2.gz RMGYXMGDAVXEFJ-HIFRSBDPSA-N 1 0 390.281 2.625 20 0 GFADRO O=C(CN1CCC[C@H]([NH+]2CCOCC2)CC1)Nc1ccc(Br)cc1 ZINC000670985802 565748856 /nfs/dbraw/zinc/74/88/56/565748856.db2.gz JPGWLDWTUHVQBS-KRWDZBQOSA-N 1 0 396.329 2.574 20 0 GFADRO CC(C)n1cc(Br)cc1C(=O)N1CCOC2(CC[NH+](C)CC2)C1 ZINC000649132216 565749033 /nfs/dbraw/zinc/74/90/33/565749033.db2.gz QIRZMKLLDUGYHZ-UHFFFAOYSA-N 1 0 384.318 2.768 20 0 GFADRO C[NH+]1CCC2(CC1)CN(C(=O)c1c(F)ccc(Br)c1F)CCO2 ZINC000649130113 565749325 /nfs/dbraw/zinc/74/93/25/565749325.db2.gz YBBHXHPDXUJYKR-UHFFFAOYSA-N 1 0 389.240 2.664 20 0 GFADRO C[C@H](Oc1cccc(Br)c1)C(=O)N1CCOC2(CC[NH+](C)CC2)C1 ZINC000649132329 565749478 /nfs/dbraw/zinc/74/94/78/565749478.db2.gz VCLGXKZHZAKFRB-AWEZNQCLSA-N 1 0 397.313 2.540 20 0 GFADRO C[NH+]1CCC2(CC1)CN(C(=O)c1cn3cc(Cl)cc(Cl)c3n1)CCO2 ZINC000649129744 565749872 /nfs/dbraw/zinc/74/98/72/565749872.db2.gz IQAZNBFZMVNBNO-UHFFFAOYSA-N 1 0 383.279 2.578 20 0 GFADRO C[N@H+](CC(=O)Nc1nc2cc(I)ccc2[nH]1)C1CCC1 ZINC000600828654 565751896 /nfs/dbraw/zinc/75/18/96/565751896.db2.gz BBLKEXRTTVBBAQ-UHFFFAOYSA-N 1 0 384.221 2.590 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)NC[C@@H]2CCCC[N@@H+](C)C2)cc1Br ZINC000627827049 565754998 /nfs/dbraw/zinc/75/49/98/565754998.db2.gz PEEJNONWHHWYFH-AWEZNQCLSA-N 1 0 396.329 2.853 20 0 GFADRO O=C(CC[C@@H]1CCC[NH2+]1)N1CCN(Cc2ccc(Br)cc2)CC1 ZINC000649373825 565759770 /nfs/dbraw/zinc/75/97/70/565759770.db2.gz FURNASWOBAKHQY-KRWDZBQOSA-N 1 0 380.330 2.626 20 0 GFADRO Cc1cc(Br)cc(NC(=O)C(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)c1 ZINC000627906825 565761134 /nfs/dbraw/zinc/76/11/34/565761134.db2.gz HMZIYJWONSNNNI-MRXNPFEDSA-N 1 0 394.313 2.829 20 0 GFADRO O=C(N1CCCC1)[C@@]1(O)CCC[N@H+](Cc2cnc(-c3cccs3)s2)C1 ZINC000671493916 565769779 /nfs/dbraw/zinc/76/97/79/565769779.db2.gz FPMJLEQTPGQBAC-GOSISDBHSA-N 1 0 377.535 2.821 20 0 GFADRO CC(C)[NH2+][C@@H]1CCCN(C(=O)NCCOc2ccc(Br)cc2)C1 ZINC000601286448 565774211 /nfs/dbraw/zinc/77/42/11/565774211.db2.gz VJEILRWFRNFREE-OAHLLOKOSA-N 1 0 384.318 3.000 20 0 GFADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2nscc2Br)[C@H](C)C1 ZINC000649738946 565775344 /nfs/dbraw/zinc/77/53/44/565775344.db2.gz ZXXKUQCABJDHAG-YPMHNXCESA-N 1 0 390.347 2.772 20 0 GFADRO C[C@@H](Oc1ccc(Br)cc1)C(=O)N1CCC([NH+]2CCOCC2)CC1 ZINC000628128680 565776360 /nfs/dbraw/zinc/77/63/60/565776360.db2.gz RHVJMQOWTDASFJ-CQSZACIVSA-N 1 0 397.313 2.540 20 0 GFADRO CC[N@H+](C[C@H](O)COc1cc(F)cc(Br)c1)[C@@H]1CCCOC1 ZINC000649755868 565776496 /nfs/dbraw/zinc/77/64/96/565776496.db2.gz ZVNCIXUNVPARTM-CABCVRRESA-N 1 0 376.266 2.829 20 0 GFADRO C[C@@H](CO)C1CC[NH+](CC(=O)N[C@H](C)c2ccc(Br)cc2)CC1 ZINC000649804796 565779508 /nfs/dbraw/zinc/77/95/08/565779508.db2.gz ILWOHQBLCHTVOT-UONOGXRCSA-N 1 0 383.330 2.967 20 0 GFADRO CC[N@H+](CCCO)Cc1cc(Cl)cc(Cl)c1OCCN1CCOCC1 ZINC000628183827 565779748 /nfs/dbraw/zinc/77/97/48/565779748.db2.gz OVEAJJAOXBVYCY-UHFFFAOYSA-N 1 0 391.339 2.909 20 0 GFADRO CC[C@@H]1CN(S(C)(=O)=O)CC[C@H]1[NH2+]CCc1cccc(C(F)(F)F)c1 ZINC000628220280 565780902 /nfs/dbraw/zinc/78/09/02/565780902.db2.gz RHGMNZWNSDPFTJ-GDBMZVCRSA-N 1 0 378.460 2.898 20 0 GFADRO CN(Cc1ncc(Br)cc1F)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000628278768 565782038 /nfs/dbraw/zinc/78/20/38/565782038.db2.gz GVXCOQDRYQLHIN-OAHLLOKOSA-N 1 0 385.325 2.584 20 0 GFADRO C[C@@H]1C[C@H](N2CCOCC2)C[N@@H+]1C[C@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000671719617 565783892 /nfs/dbraw/zinc/78/38/92/565783892.db2.gz LGTOUOYTSPUVQI-ILXRZTDVSA-N 1 0 389.323 2.528 20 0 GFADRO CS[C@@H]1CN(C(=O)[C@H](C)n2ccc(C(F)(F)F)n2)C[C@@H]1[NH+]1CCCC1 ZINC000601436666 565784125 /nfs/dbraw/zinc/78/41/25/565784125.db2.gz JSKUATLEIKJWIO-RWMBFGLXSA-N 1 0 376.448 2.501 20 0 GFADRO C[C@@H](C[NH+]1CCOCC1)C(=O)NCC/C=C/c1ccc(Br)cc1 ZINC000628335339 565784733 /nfs/dbraw/zinc/78/47/33/565784733.db2.gz JOHDUXNRCUIOKN-OMDKTOEGSA-N 1 0 381.314 2.937 20 0 GFADRO CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)NCCc1cc(Cl)cc(Cl)c1 ZINC000671813693 565787647 /nfs/dbraw/zinc/78/76/47/565787647.db2.gz ZBHPAZUSRMWDAI-MRXNPFEDSA-N 1 0 386.323 2.643 20 0 GFADRO COC(=O)c1cccc(NC(=O)N2CCCCC[C@@H]([NH3+])C2)c1Br ZINC000601558420 565791533 /nfs/dbraw/zinc/79/15/33/565791533.db2.gz LCIZRSVACOHXHT-LLVKDONJSA-N 1 0 384.274 2.971 20 0 GFADRO O=C(c1csc(I)c1)N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000601560400 565792198 /nfs/dbraw/zinc/79/21/98/565792198.db2.gz XENWXPNLGCODAA-KOLCDFICSA-N 1 0 376.263 2.567 20 0 GFADRO CC[C@@H](CO)[NH+]1CCN(c2ccc(-c3ccc(Br)s3)nn2)CC1 ZINC000672225099 565800034 /nfs/dbraw/zinc/80/00/34/565800034.db2.gz QPEQKOVBNPNFID-LBPRGKRZSA-N 1 0 397.342 2.861 20 0 GFADRO CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ncccc1Br ZINC000672256358 565800789 /nfs/dbraw/zinc/80/07/89/565800789.db2.gz WFQODHCUEJTJCK-GOSISDBHSA-N 1 0 376.298 2.917 20 0 GFADRO COc1cc(Br)c(C(=O)NC[C@H]2CCCC[N@H+](C)C2)cc1OC ZINC000628750036 565806346 /nfs/dbraw/zinc/80/63/46/565806346.db2.gz KHFRXRMIWKJJCM-GFCCVEGCSA-N 1 0 385.302 2.928 20 0 GFADRO COc1ncc(Br)cc1CNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC000628794252 565807168 /nfs/dbraw/zinc/80/71/68/565807168.db2.gz FWULLAFDAIALPN-OAHLLOKOSA-N 1 0 384.318 2.979 20 0 GFADRO COc1ncc(Br)cc1CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000628795133 565807965 /nfs/dbraw/zinc/80/79/65/565807965.db2.gz QUOBWJRYANBORQ-UHFFFAOYSA-N 1 0 378.270 2.844 20 0 GFADRO O=C(CCC[S@@](=O)c1ccc(Br)cc1)N[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000601973194 565810716 /nfs/dbraw/zinc/81/07/16/565810716.db2.gz JCEHDEIWHUKEBM-GJKYVBSNSA-N 1 0 399.354 2.595 20 0 GFADRO CC1(C)C[NH2+]CC[C@H](NC(=O)c2ccc(F)cc2I)C1 ZINC000601975231 565811607 /nfs/dbraw/zinc/81/16/07/565811607.db2.gz MLGXTVYGCYBWSR-NSHDSACASA-N 1 0 390.240 2.938 20 0 GFADRO Cc1csc(C(=O)N[C@]23CCC[C@@H]2C[NH2+]C3)c1I ZINC000601974165 565812259 /nfs/dbraw/zinc/81/22/59/565812259.db2.gz NEOJTCWKCZVDKD-RNCFNFMXSA-N 1 0 376.263 2.533 20 0 GFADRO O=C([C@@H]1CC[N@@H+](C[C@H](O)COc2ccc(Cl)c(Cl)c2)C1)N1CCCC1 ZINC000672573024 565812359 /nfs/dbraw/zinc/81/23/59/565812359.db2.gz OKMJFFDOVAOOGP-KGLIPLIRSA-N 1 0 387.307 2.677 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCCN(S(=O)(=O)N(C)C)C1)c1cccc(C(F)(F)F)c1 ZINC000672616492 565813433 /nfs/dbraw/zinc/81/34/33/565813433.db2.gz OHMUDTXQQOJUOT-SWLSCSKDSA-N 1 0 379.448 2.627 20 0 GFADRO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]C[C@@H](CO)c2ccc(Cl)cc2)c1 ZINC000672620366 565813577 /nfs/dbraw/zinc/81/35/77/565813577.db2.gz WFNBLAUDGACVKV-CJNGLKHVSA-N 1 0 382.913 2.675 20 0 GFADRO CC(C)[N@@H+]1CC[C@H](N(C)S(=O)(=O)Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000650344419 565814516 /nfs/dbraw/zinc/81/45/16/565814516.db2.gz NZIYPSJJXKZHLH-AWEZNQCLSA-N 1 0 380.432 2.830 20 0 GFADRO CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N(C)Cc1ccc(Cl)c(Cl)c1 ZINC000672698288 565815209 /nfs/dbraw/zinc/81/52/09/565815209.db2.gz OJXYEXGWUXQZQN-CQSZACIVSA-N 1 0 386.323 2.942 20 0 GFADRO O=C1CC[C@@H]([NH2+]Cc2ccc(I)c(Cl)c2)CCN1 ZINC000602015377 565815601 /nfs/dbraw/zinc/81/56/01/565815601.db2.gz BZIDXWJBPZZPLB-SNVBAGLBSA-N 1 0 378.641 2.703 20 0 GFADRO CC[N@@H+]1CCN(C(=O)Nc2ccc3nccnc3c2Br)C[C@@H]1C ZINC000672815761 565818495 /nfs/dbraw/zinc/81/84/95/565818495.db2.gz WOTMXMKYZWGEGT-NSHDSACASA-N 1 0 378.274 2.950 20 0 GFADRO O=C(NC[C@@]1(O)CCSC1)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000650417284 565819084 /nfs/dbraw/zinc/81/90/84/565819084.db2.gz XDTZWBBBBPVNER-SFHVURJKSA-N 1 0 381.567 2.864 20 0 GFADRO O=C(Cc1ccc(Br)c(Cl)c1)NC[C@H]1CCCC[N@H+]1CCO ZINC000650594789 565828530 /nfs/dbraw/zinc/82/85/30/565828530.db2.gz HMEIPDBIHUKRHV-CYBMUJFWSA-N 1 0 389.721 2.608 20 0 GFADRO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCN(Cc3cnc4ccc(Br)cn34)C2)C1 ZINC000650706359 565832616 /nfs/dbraw/zinc/83/26/16/565832616.db2.gz JCFWHUYTAUWTAI-YSVLISHTSA-N 1 0 393.329 2.815 20 0 GFADRO CCO[C@@H]1CN(Cc2cn(-c3ccc(Br)cc3)nc2C)C[C@H]1C[NH3+] ZINC000650714526 565832686 /nfs/dbraw/zinc/83/26/86/565832686.db2.gz LDDPAKGLCSYXLD-RDTXWAMCSA-N 1 0 393.329 2.739 20 0 GFADRO CC(C)OCC[NH+]1CCN(C[C@@H](O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000673697078 565843938 /nfs/dbraw/zinc/84/39/38/565843938.db2.gz NSISGCMSVZGBAJ-OAHLLOKOSA-N 1 0 391.339 2.776 20 0 GFADRO C[C@@H](NC(=O)NCC[N@H+](C)C1CC1)c1cc2c(cc1Br)OCCO2 ZINC000602413233 565846281 /nfs/dbraw/zinc/84/62/81/565846281.db2.gz ZLLKRSZTEDDAJU-LLVKDONJSA-N 1 0 398.301 2.675 20 0 GFADRO CN(CCCC[NH+](C)C)C(=O)c1cc(=O)c2cc(Br)ccc2[nH]1 ZINC000673840302 565850105 /nfs/dbraw/zinc/85/01/05/565850105.db2.gz ILELZTFCAIVMDW-UHFFFAOYSA-N 1 0 380.286 2.704 20 0 GFADRO CCC1([NH+]2CCOCC2)CCN(C(=O)c2ncsc2C(F)(F)F)CC1 ZINC000629416327 565850784 /nfs/dbraw/zinc/85/07/84/565850784.db2.gz KGVWCLYLUOOITL-UHFFFAOYSA-N 1 0 377.432 2.879 20 0 GFADRO Cc1cc(C(=O)NC[C@H]([NH3+])C2CC2)c(I)cc1Cl ZINC000602485240 565851217 /nfs/dbraw/zinc/85/12/17/565851217.db2.gz QQCFDCYASSLSFH-LBPRGKRZSA-N 1 0 378.641 2.720 20 0 GFADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCOc2ccc(Br)cc21 ZINC000651261442 565852245 /nfs/dbraw/zinc/85/22/45/565852245.db2.gz HKHHUNMBTATGTF-LSDHHAIUSA-N 1 0 397.313 2.542 20 0 GFADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCOc2ccc(Br)cc21 ZINC000651261441 565852392 /nfs/dbraw/zinc/85/23/92/565852392.db2.gz HKHHUNMBTATGTF-HUUCEWRRSA-N 1 0 397.313 2.542 20 0 GFADRO C[C@H]([NH2+]C[C@@H](O)COc1ccc(I)cc1)[C@@H]1CC1(F)F ZINC000602534277 565854293 /nfs/dbraw/zinc/85/42/93/565854293.db2.gz HWXXNHUAXRLDTK-NDMJEZRESA-N 1 0 397.203 2.664 20 0 GFADRO C[NH+](C)[C@@]1(CNC(=O)NCCc2ccc(C(F)(F)F)cc2)CCSC1 ZINC000673969333 565854843 /nfs/dbraw/zinc/85/48/43/565854843.db2.gz GRVUWGHZHNPUBW-MRXNPFEDSA-N 1 0 375.460 2.984 20 0 GFADRO Cc1sc2nc(CS[C@@H](C)C(=O)N[C@@H]3CC[NH2+][C@H]3C)[nH]c(=O)c2c1C ZINC000602569978 565855345 /nfs/dbraw/zinc/85/53/45/565855345.db2.gz FKCUOTXHMXACFC-ZMLRMANQSA-N 1 0 380.539 2.502 20 0 GFADRO C[C@@H]1CC[C@H](NC(=O)CCC[S@@](=O)c2ccc(Br)cc2)C[NH2+]1 ZINC000602555400 565855518 /nfs/dbraw/zinc/85/55/18/565855518.db2.gz PULWXTPPQZZLST-UZRORNOBSA-N 1 0 387.343 2.594 20 0 GFADRO CC(C)Oc1cc(C(=O)NC[C@H](C)N2CC[NH+](C)CC2)ccc1Br ZINC000651335698 565857325 /nfs/dbraw/zinc/85/73/25/565857325.db2.gz WUCXZSRVRXLFEI-AWEZNQCLSA-N 1 0 398.345 2.602 20 0 GFADRO O=C1C[C@H]([NH2+]Cc2ccc(Cl)cc2I)CCCN1 ZINC000602636132 565859883 /nfs/dbraw/zinc/85/98/83/565859883.db2.gz GUCREDRLXCBRMN-LLVKDONJSA-N 1 0 378.641 2.703 20 0 GFADRO O[C@H](CNc1cccc(Oc2ncc(Br)cn2)c1)C[NH+]1CCCC1 ZINC000629582076 565860799 /nfs/dbraw/zinc/86/07/99/565860799.db2.gz NCXQRNPCDKMEIS-OAHLLOKOSA-N 1 0 393.285 2.900 20 0 GFADRO C[C@H](C[NH+]1CCOCC1)C(=O)N[C@H](CCO)c1cc(Cl)cc(Cl)c1 ZINC000629588119 565861473 /nfs/dbraw/zinc/86/14/73/565861473.db2.gz HXNSFSYUMZVXAL-MLGOLLRUSA-N 1 0 375.296 2.501 20 0 GFADRO COc1ncc(Br)cc1C[NH2+]C[C@H](O)COCc1cccs1 ZINC000629593616 565861857 /nfs/dbraw/zinc/86/18/57/565861857.db2.gz SBKAPDOBMCWURB-ZDUSSCGKSA-N 1 0 387.299 2.582 20 0 GFADRO COC(=O)c1[nH]c(C[NH2+]CCCS(=O)(=O)c2ccc(Cl)cc2)cc1C ZINC000602671050 565862256 /nfs/dbraw/zinc/86/22/56/565862256.db2.gz IBKPWDWJJCMCLH-UHFFFAOYSA-N 1 0 384.885 2.717 20 0 GFADRO O[C@@H](C[NH2+]C[C@H](n1cccn1)C(F)(F)F)COCc1ccccc1Cl ZINC000629601734 565862649 /nfs/dbraw/zinc/86/26/49/565862649.db2.gz UMDVDJOXHOECTF-ZFWWWQNUSA-N 1 0 377.794 2.807 20 0 GFADRO CC[C@@H](C[NH+]1CCCC1)NS(=O)(=O)c1cccc(Br)c1C ZINC000674345598 565869856 /nfs/dbraw/zinc/86/98/56/565869856.db2.gz WQROREKHUBQFIJ-ZDUSSCGKSA-N 1 0 375.332 2.910 20 0 GFADRO COC(=O)C[C@](C)([NH2+]CCc1cnccn1)c1ccc(Br)cc1 ZINC000602828524 565870819 /nfs/dbraw/zinc/87/08/19/565870819.db2.gz NWGXTRJKKKSHBP-KRWDZBQOSA-N 1 0 378.270 2.850 20 0 GFADRO COCC1(CS(=O)(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)CCC1 ZINC000651577372 565875376 /nfs/dbraw/zinc/87/53/76/565875376.db2.gz JLUDASZDOGJKND-DOTOQJQBSA-N 1 0 386.583 2.867 20 0 GFADRO C[NH2+]C1(CNC(=O)c2cnn(-c3cccc(Br)c3)c2C)CCC1 ZINC000630000726 565879332 /nfs/dbraw/zinc/87/93/32/565879332.db2.gz PKVYFOJCDGYRMG-UHFFFAOYSA-N 1 0 377.286 2.815 20 0 GFADRO O[C@H](C[N@H+](Cc1cccc(Br)c1)C1CC1)CC1(O)CCOCC1 ZINC000630039906 565881051 /nfs/dbraw/zinc/88/10/51/565881051.db2.gz ZJKOGGNKGJCLQW-KRWDZBQOSA-N 1 0 384.314 2.706 20 0 GFADRO Cc1cc(Br)sc1S(=O)(=O)N1CCC[C@@H]([NH+](C)C)CC1 ZINC000651671305 565884658 /nfs/dbraw/zinc/88/46/58/565884658.db2.gz NBCOAGITVCQAGV-LLVKDONJSA-N 1 0 381.361 2.924 20 0 GFADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCOc4ccc(Br)cc43)[C@H]2C1 ZINC000651683210 565885291 /nfs/dbraw/zinc/88/52/91/565885291.db2.gz UNZNHDMUCCBCBY-INWMFGNUSA-N 1 0 379.298 2.868 20 0 GFADRO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CC[C@@]1(O)CCCOC1 ZINC000652045780 565913265 /nfs/dbraw/zinc/91/32/65/565913265.db2.gz FTFMYSGAEYSKHR-DYVFJYSZSA-N 1 0 385.302 2.687 20 0 GFADRO COCCC[C@H]([NH2+]C[C@@H]1CCS(=O)(=O)C1)c1ccc(Br)cc1 ZINC000675735601 565913395 /nfs/dbraw/zinc/91/33/95/565913395.db2.gz CGVNSYLJVZDLDA-BBRMVZONSA-N 1 0 390.343 2.941 20 0 GFADRO C[C@H]1C[C@H]([NH2+]CCCN(C)S(C)(=O)=O)c2cccc(Br)c21 ZINC000675746161 565913937 /nfs/dbraw/zinc/91/39/37/565913937.db2.gz CYXWCIFFEDVEIB-FZMZJTMJSA-N 1 0 375.332 2.869 20 0 GFADRO C[N@@H+]1CCCN(CCCNC(=O)c2cc3cc(Br)ccc3[nH]2)CC1 ZINC000603897530 565918143 /nfs/dbraw/zinc/91/81/43/565918143.db2.gz CWLWUYFEBOTNMO-UHFFFAOYSA-N 1 0 393.329 2.688 20 0 GFADRO Clc1cccc2c1SCC[C@H]2[NH2+][C@@H]1CCN(CCN2CCOCC2)C1 ZINC000675886941 565920165 /nfs/dbraw/zinc/92/01/65/565920165.db2.gz PYLJYENOPBYASQ-CRAIPNDOSA-N 1 0 381.973 2.873 20 0 GFADRO [NH3+]C[C@]12CCC[C@H]1CN(CCS(=O)(=O)c1cc(Cl)ccc1Cl)C2 ZINC000652350808 565923416 /nfs/dbraw/zinc/92/34/16/565923416.db2.gz KPUCOXXPVGPACN-LRDDRELGSA-N 1 0 377.337 2.828 20 0 GFADRO [NH3+]C[C@]12CCC[C@H]1CN(S(=O)(=O)c1cc(Cl)ccc1Br)C2 ZINC000652376136 565925892 /nfs/dbraw/zinc/92/58/92/565925892.db2.gz ZUKSETKBQDPOKE-HZMBPMFUSA-N 1 0 393.734 2.852 20 0 GFADRO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCN(S(=O)(=O)c3cccc(Cl)c3Cl)C2)C1 ZINC000652374941 565925940 /nfs/dbraw/zinc/92/59/40/565925940.db2.gz DXXABEPKIHMRDF-OUCADQQQSA-N 1 0 393.336 2.900 20 0 GFADRO C[C@@H]1CCCN(S(=O)(=O)c2cc(F)c(Br)cc2F)[C@@H]1CC[NH3+] ZINC000652378076 565926707 /nfs/dbraw/zinc/92/67/07/565926707.db2.gz YCWZEWLBWDRRRV-NOZJJQNGSA-N 1 0 397.285 2.865 20 0 GFADRO CCO[C@@H]1CN(C(=O)N[C@H](c2ccc(Cl)cc2)C(F)(F)F)C[C@H]1C[NH3+] ZINC000652596121 565935139 /nfs/dbraw/zinc/93/51/39/565935139.db2.gz PYPQDMJTBJMVHM-MRVWCRGKSA-N 1 0 379.810 2.949 20 0 GFADRO CCO[C@@H]1CN(C(=O)Nc2ccc(Br)c(C3CC3)n2)C[C@H]1C[NH3+] ZINC000652607735 565936241 /nfs/dbraw/zinc/93/62/41/565936241.db2.gz YOHBMCVGYDOLRZ-DGCLKSJQSA-N 1 0 383.290 2.549 20 0 GFADRO CC[C@H](C[NH+]1CCCC1)NS(=O)(=O)c1cc(F)ccc1Br ZINC000676416716 565936667 /nfs/dbraw/zinc/93/66/67/565936667.db2.gz ZPJMFNSURUYVKU-GFCCVEGCSA-N 1 0 379.295 2.741 20 0 GFADRO C[C@@H](CNC(=O)C(=O)N1CCC(CC[NH3+])CC1)c1c(Cl)cccc1Cl ZINC000652684284 565937106 /nfs/dbraw/zinc/93/71/06/565937106.db2.gz JRSDQAZQCAUBFD-LBPRGKRZSA-N 1 0 386.323 2.801 20 0 GFADRO O=C(NCCC1CC[NH2+]CC1)C(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000652643941 565937387 /nfs/dbraw/zinc/93/73/87/565937387.db2.gz GXVLOKABTLIFGX-UHFFFAOYSA-N 1 0 377.794 2.803 20 0 GFADRO CCc1cc(N2CCC[C@@H]([NH2+]Cc3ccncc3Br)C2)ncn1 ZINC000631072428 565937842 /nfs/dbraw/zinc/93/78/42/565937842.db2.gz VJOIHFZUKDZBNL-OAHLLOKOSA-N 1 0 376.302 2.955 20 0 GFADRO COc1ccc(O[C@H](C)C[NH2+]Cc2ccc(Cl)c(S(N)(=O)=O)c2)cc1 ZINC000631079977 565938254 /nfs/dbraw/zinc/93/82/54/565938254.db2.gz RNFBLZBKFZKNAE-GFCCVEGCSA-N 1 0 384.885 2.553 20 0 GFADRO COc1cc(C[NH2+]CC2(CS(C)(=O)=O)CC2)c(F)cc1Br ZINC000631081850 565938742 /nfs/dbraw/zinc/93/87/42/565938742.db2.gz DPBOQDNNOJRFHZ-UHFFFAOYSA-N 1 0 380.279 2.511 20 0 GFADRO COc1cncc(C[NH2+]C[C@@H](O)COc2ccccc2Br)c1C ZINC000631090840 565939988 /nfs/dbraw/zinc/93/99/88/565939988.db2.gz IMEYLMWBTROTFB-CQSZACIVSA-N 1 0 381.270 2.691 20 0 GFADRO Clc1ccc2sc(CC[NH2+]Cc3cn(C[C@H]4CCOC4)nn3)nc2c1 ZINC000631088633 565940112 /nfs/dbraw/zinc/94/01/12/565940112.db2.gz ORQAUQWCGBJMBG-GFCCVEGCSA-N 1 0 377.901 2.910 20 0 GFADRO COc1cc(C[NH2+]CC2CCS(=O)(=O)CC2)c(F)cc1Br ZINC000631102390 565941310 /nfs/dbraw/zinc/94/13/10/565941310.db2.gz WEQQPFTUKZFNJG-UHFFFAOYSA-N 1 0 380.279 2.511 20 0 GFADRO COc1cc(CNC[C@@H]2CCC[N@@H+]2CCCO)c(F)cc1Br ZINC000631147111 565944635 /nfs/dbraw/zinc/94/46/35/565944635.db2.gz NQRCCIDZZSJNHV-ZDUSSCGKSA-N 1 0 375.282 2.533 20 0 GFADRO OCC[C@@H]([NH2+]Cc1cnc(N2CCOCC2)s1)c1ccc(Cl)c(F)c1 ZINC000631189600 565947418 /nfs/dbraw/zinc/94/74/18/565947418.db2.gz CODNJOYHGUHJOZ-MRXNPFEDSA-N 1 0 385.892 2.986 20 0 GFADRO CCC[C@H](CCO)[NH2+]Cc1cc(Br)ccc1O[C@H](C)C(=O)NC ZINC000631200973 565948528 /nfs/dbraw/zinc/94/85/28/565948528.db2.gz YTMWLDCUKZGAJM-IUODEOHRSA-N 1 0 387.318 2.603 20 0 GFADRO CCN(CC)S(=O)(=O)c1cc(NC(=O)[C@H]2CCC[NH2+]CC2)ccc1Cl ZINC000653058385 565953164 /nfs/dbraw/zinc/95/31/64/565953164.db2.gz PUBSNXVGHNWLKL-ZDUSSCGKSA-N 1 0 387.933 2.699 20 0 GFADRO O=C([C@@H]1CC[C@H](C2CC2)[NH2+]1)N1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000653078009 565953905 /nfs/dbraw/zinc/95/39/05/565953905.db2.gz ROIIQVHTRXFFGG-IKGGRYGDSA-N 1 0 379.298 2.880 20 0 GFADRO C[NH+](C)CC[C@H](N)C(=O)N[C@H](c1ccccc1)c1ccc(Br)cc1 ZINC000653079165 565954344 /nfs/dbraw/zinc/95/43/44/565954344.db2.gz VELALAPEOSWKLM-ZWKOTPCHSA-N 1 0 390.325 2.934 20 0 GFADRO Cc1cc(S(=O)(=O)NCC[NH2+]C[C@H]2CCOc3ccccc32)c(C)s1 ZINC000676903679 565954399 /nfs/dbraw/zinc/95/43/99/565954399.db2.gz HPUVYUXIHPFONQ-OAHLLOKOSA-N 1 0 380.535 2.799 20 0 GFADRO O=C(NC[C@@H]1CCN(c2ccc(Br)cc2)C1)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653112134 565954948 /nfs/dbraw/zinc/95/49/48/565954948.db2.gz NBLXJGIHBRSJJJ-MORSLUCNSA-N 1 0 392.341 2.922 20 0 GFADRO O=C(NC[C@H]1CCN(c2ccc(Br)cc2)C1)[C@@H]1CCC[NH2+]CC1 ZINC000653112272 565954997 /nfs/dbraw/zinc/95/49/97/565954997.db2.gz SULNYGUGWGPYDO-HUUCEWRRSA-N 1 0 380.330 2.781 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)[C@H]3CCOc4ccc(Br)cc43)C[C@@H]21 ZINC000653129507 565955077 /nfs/dbraw/zinc/95/50/77/565955077.db2.gz YCTWWIIVPPCWFB-SHPPOPEUSA-N 1 0 379.298 2.901 20 0 GFADRO C[NH+](C)CC[C@H](N)C(=O)Nc1ccc(Oc2cccc(Br)c2)nc1 ZINC000653115488 565955626 /nfs/dbraw/zinc/95/56/26/565955626.db2.gz QGYAIAKXVSHPFH-HNNXBMFYSA-N 1 0 393.285 2.854 20 0 GFADRO C[C@@]1(c2cccc(Br)c2)C[C@@H]1C(=O)NCCC[NH+]1CCC(O)CC1 ZINC000631372922 565955978 /nfs/dbraw/zinc/95/59/78/565955978.db2.gz RVTUHXWSQBDNJZ-MJGOQNOKSA-N 1 0 395.341 2.690 20 0 GFADRO COc1ccc(C(=O)N2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)c(Br)c1 ZINC000653186465 565957523 /nfs/dbraw/zinc/95/75/23/565957523.db2.gz LNJVFMPQMBRZCP-OGHNNQOOSA-N 1 0 397.313 2.816 20 0 GFADRO C[NH+](C)CC[C@H](N)C(=O)N1CCCC[C@H]1Cc1cccc(Br)c1 ZINC000653166007 565957625 /nfs/dbraw/zinc/95/76/25/565957625.db2.gz QDYLJQURWPICFT-IRXDYDNUSA-N 1 0 382.346 2.652 20 0 GFADRO CN(CCOc1ccc(Br)cc1)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000605885380 565958143 /nfs/dbraw/zinc/95/81/43/565958143.db2.gz XAMGHIDNCQBZSM-INIZCTEOSA-N 1 0 396.329 2.954 20 0 GFADRO COCC[N@@H+]1CC[C@H](NC(=O)N[C@H](C)CCc2ccc(Br)cc2)C1 ZINC000605880248 565958405 /nfs/dbraw/zinc/95/84/05/565958405.db2.gz LKCFPOZOTSAPKA-PBHICJAKSA-N 1 0 398.345 2.790 20 0 GFADRO C[C@H]1CCCN(C(=O)c2cc(=O)c3cc(Br)ccc3[nH]2)[C@@H]1CC[NH3+] ZINC000653238237 565959587 /nfs/dbraw/zinc/95/95/87/565959587.db2.gz NEXQUVAWYALCBT-MEDUHNTESA-N 1 0 392.297 2.880 20 0 GFADRO CCO[C@@H]1CN(C(=O)c2cc3cc(C)cc(Br)c3o2)C[C@H]1C[NH3+] ZINC000653248433 565960155 /nfs/dbraw/zinc/96/01/55/565960155.db2.gz RHIWQWNOINYXPC-IUODEOHRSA-N 1 0 381.270 2.940 20 0 GFADRO CCO[C@@H]1CN(C(=O)Cc2csc(-c3ccc(Cl)s3)n2)C[C@H]1C[NH3+] ZINC000653247206 565960197 /nfs/dbraw/zinc/96/01/97/565960197.db2.gz QJMUINNXETUGNU-ZYHUDNBSSA-N 1 0 385.942 2.890 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2C(=O)COc2ccc(Br)cc2)C1 ZINC000653267463 565960296 /nfs/dbraw/zinc/96/02/96/565960296.db2.gz PYNQKTQBNVNIRY-PVAVHDDUSA-N 1 0 397.313 2.715 20 0 GFADRO O=C(COc1ccc(Br)cn1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000631521998 565961055 /nfs/dbraw/zinc/96/10/55/565961055.db2.gz YLSBHJQKWKPSNT-AWEZNQCLSA-N 1 0 382.302 2.557 20 0 GFADRO CC[N@@H+]1CCN([C@@H](C)C(=O)N(C)Cc2ccc(Br)cc2)C[C@H]1C ZINC000677194803 565964277 /nfs/dbraw/zinc/96/42/77/565964277.db2.gz KEUIDNZRCASZIL-CABCVRRESA-N 1 0 382.346 2.822 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(C(=O)c3ccc(Br)c(O)c3)C2)C1 ZINC000653348508 565964923 /nfs/dbraw/zinc/96/49/23/565964923.db2.gz JHGGURFMKWRDMP-IOASZLSFSA-N 1 0 383.286 2.513 20 0 GFADRO O=C(NCc1n[nH]cc1Br)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000606506188 565967439 /nfs/dbraw/zinc/96/74/39/565967439.db2.gz VOKOSKMSZTXVSI-AWEZNQCLSA-N 1 0 392.301 2.636 20 0 GFADRO CC(=O)N1CC[C@@H](C[N@H+](C)C[C@H](O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000677267697 565968207 /nfs/dbraw/zinc/96/82/07/565968207.db2.gz JBSLCXXXFZHYGH-KBPBESRZSA-N 1 0 375.296 2.533 20 0 GFADRO O=C(NCc1n[nH]cc1Br)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000606623562 565968498 /nfs/dbraw/zinc/96/84/98/565968498.db2.gz UBQPLAZCUZXJAN-ZDUSSCGKSA-N 1 0 398.330 2.870 20 0 GFADRO C[C@H](NC(=O)N1CCC(n2cc(Br)cn2)CC1)C1CC[NH+](C)CC1 ZINC000606702038 565970072 /nfs/dbraw/zinc/97/00/72/565970072.db2.gz OEPFOYWENFZSOG-ZDUSSCGKSA-N 1 0 398.349 2.722 20 0 GFADRO O=S1(=O)CCC(C[NH2+]Cc2cnn(-c3ccc(Br)cc3)c2)CC1 ZINC000677323943 565970745 /nfs/dbraw/zinc/97/07/45/565970745.db2.gz KFNIPIOKVYCYMI-UHFFFAOYSA-N 1 0 398.326 2.549 20 0 GFADRO C[NH+](C)CCN(Cc1ccc(F)cc1F)S(=O)(=O)C[C@@H]1CCC1(F)F ZINC000631812911 565977209 /nfs/dbraw/zinc/97/72/09/565977209.db2.gz GXXUHLPGABQBFN-ZDUSSCGKSA-N 1 0 382.423 2.704 20 0 GFADRO OCC[NH2+]C1CCN(Cc2ncc(-c3ccc(Br)cc3)o2)CC1 ZINC000631861924 565978407 /nfs/dbraw/zinc/97/84/07/565978407.db2.gz CGIUFMJNUQKVJP-UHFFFAOYSA-N 1 0 380.286 2.650 20 0 GFADRO O=C(CN1CCC([NH2+]CCO)CC1)Nc1c(Cl)cc(Cl)cc1Cl ZINC000631865356 565979047 /nfs/dbraw/zinc/97/90/47/565979047.db2.gz JCSNWXTYMNKGLI-UHFFFAOYSA-N 1 0 380.703 2.632 20 0 GFADRO Cc1cc(Cl)c(Br)cc1S(=O)(=O)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000631905384 565982264 /nfs/dbraw/zinc/98/22/64/565982264.db2.gz LPVWIWAHBUIVPY-BXKDBHETSA-N 1 0 381.723 2.769 20 0 GFADRO C[NH+](C)CCN(CC1CCCCC1)S(=O)(=O)c1cccc2nsnc21 ZINC000607286323 565983126 /nfs/dbraw/zinc/98/31/26/565983126.db2.gz MDLUINZBUWUYLI-UHFFFAOYSA-N 1 0 382.555 2.824 20 0 GFADRO O[C@@H]1C[C@H]2CN(Cc3csc(-c4ccc(Br)cc4)n3)CC[N@@H+]2C1 ZINC000653826457 565983737 /nfs/dbraw/zinc/98/37/37/565983737.db2.gz CVRGVVFRHXIOJM-JKSUJKDBSA-N 1 0 394.338 2.823 20 0 GFADRO CC1(C)C[NH2+]CC[C@H](NS(=O)(=O)Cc2cccc(Br)c2)C1 ZINC000631977075 565987487 /nfs/dbraw/zinc/98/74/87/565987487.db2.gz LFSRGQBLJMCOJI-AWEZNQCLSA-N 1 0 375.332 2.647 20 0 GFADRO O=C([C@H]1C[N@@H+]2CCN1CCC2)N1CCC[C@H]1c1ccccc1Br ZINC000677912313 565988264 /nfs/dbraw/zinc/98/82/64/565988264.db2.gz UNYLGGDMIPUQTB-DLBZAZTESA-N 1 0 378.314 2.503 20 0 GFADRO C[N@H+](CC(=O)N1CCc2sc(Br)cc2C1)[C@@H]1CCSC1 ZINC000677921740 565988484 /nfs/dbraw/zinc/98/84/84/565988484.db2.gz CZGXFAYRNDKOJW-LLVKDONJSA-N 1 0 375.357 2.833 20 0 GFADRO Cc1c(Br)c[nH]c(=O)c1C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000632012763 565990786 /nfs/dbraw/zinc/99/07/86/565990786.db2.gz XFMUKVXFWULNSN-WFASDCNBSA-N 1 0 394.313 2.947 20 0 GFADRO C[C@@H](C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1)c1ccc(Br)cc1 ZINC000678007353 565993439 /nfs/dbraw/zinc/99/34/39/565993439.db2.gz WANGQCITKHBFAT-RHSMWYFYSA-N 1 0 394.357 2.837 20 0 GFADRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)[C@]23CCC(=O)N2c2cc(Cl)ccc2S3)C1 ZINC000654067974 565994804 /nfs/dbraw/zinc/99/48/04/565994804.db2.gz MOCOIOIABCBECL-SUFBMKPHSA-N 1 0 379.913 2.725 20 0 GFADRO CC(C)(CO)[NH+]1CCN(CC2=Cc3cc(Br)ccc3OC2)CC1 ZINC000678268768 566004285 /nfs/dbraw/zinc/00/42/85/566004285.db2.gz AAHBKDZMYYJRST-UHFFFAOYSA-N 1 0 381.314 2.613 20 0 GFADRO COCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C)c2ccc(Br)s2)C1 ZINC000608128713 566004812 /nfs/dbraw/zinc/00/48/12/566004812.db2.gz DAVZBAXXCSBQIU-NWDGAFQWSA-N 1 0 375.332 2.841 20 0 GFADRO COc1c(Br)cc(Br)cc1CN1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000678343305 566008695 /nfs/dbraw/zinc/00/86/95/566008695.db2.gz PKUXSGDACFEAFI-GHMZBOCLSA-N 1 0 390.119 2.871 20 0 GFADRO CNC(=O)c1cc(NC(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)ccc1Cl ZINC000654548030 566013593 /nfs/dbraw/zinc/01/35/93/566013593.db2.gz OSSMVYKYVVHOFS-CQSZACIVSA-N 1 0 381.929 2.856 20 0 GFADRO C[C@H]([NH2+]Cc1cc(Br)ccc1OC(F)F)[C@@H]1CN(C)CCO1 ZINC000678623149 566014554 /nfs/dbraw/zinc/01/45/54/566014554.db2.gz IDDADMQTOSSNFF-HZMBPMFUSA-N 1 0 379.245 2.859 20 0 GFADRO C[C@H](CC(=O)N(CCC[NH+](C)C)Cc1ccc(Cl)c(Cl)c1)NC(N)=O ZINC000654598771 566017560 /nfs/dbraw/zinc/01/75/60/566017560.db2.gz FJKNLKBMBBHVIW-GFCCVEGCSA-N 1 0 389.327 2.721 20 0 GFADRO COc1ccc([C@H](C)[NH2+]CC[C@H]2CCS(=O)(=O)C2)cc1Br ZINC000678732788 566018601 /nfs/dbraw/zinc/01/86/01/566018601.db2.gz CKVZGIJAXURPKY-RYUDHWBXSA-N 1 0 376.316 2.933 20 0 GFADRO CO[C@@H](C(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1)c1ccccc1Br ZINC000654733561 566020530 /nfs/dbraw/zinc/02/05/30/566020530.db2.gz YVZAYYKYQKRVFT-WMLDXEAASA-N 1 0 399.329 2.706 20 0 GFADRO CC1(C)[C@H]([NH2+]CCS(=O)(=O)c2ccc(Br)cc2)[C@@H]2CCO[C@H]21 ZINC000678928844 566025368 /nfs/dbraw/zinc/02/53/68/566025368.db2.gz XXAQVKINEPQWIF-RRFJBIMHSA-N 1 0 388.327 2.626 20 0 GFADRO CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cc(Br)sc1C ZINC000632407924 566029645 /nfs/dbraw/zinc/02/96/45/566029645.db2.gz LLRZPOXDYQYSSK-UHFFFAOYSA-N 1 0 381.361 2.924 20 0 GFADRO O=S1(=O)CCCN1CCC[NH2+]Cc1ccc(Cl)c(Br)c1 ZINC000678954341 566025664 /nfs/dbraw/zinc/02/56/64/566025664.db2.gz BTLCJEWBZCVKSF-UHFFFAOYSA-N 1 0 381.723 2.618 20 0 GFADRO CS(=O)(=O)c1ccc(-c2nc(C[NH2+]C3(CO)CCCCC3)cs2)cc1 ZINC000678974628 566026385 /nfs/dbraw/zinc/02/63/85/566026385.db2.gz UQGSCZZAHIKXMQ-UHFFFAOYSA-N 1 0 380.535 2.998 20 0 GFADRO CCO[C@H](CC[NH+](C)C)CNC(=O)[C@H](OC)c1ccccc1Br ZINC000654878433 566026721 /nfs/dbraw/zinc/02/67/21/566026721.db2.gz RMZKIOKVKBDTND-CZUORRHYSA-N 1 0 387.318 2.610 20 0 GFADRO CCO[C@H](CC[NH+](C)C)CNC(=O)[C@@H](OC)c1ccccc1Br ZINC000654878432 566027297 /nfs/dbraw/zinc/02/72/97/566027297.db2.gz RMZKIOKVKBDTND-CJNGLKHVSA-N 1 0 387.318 2.610 20 0 GFADRO CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc(Br)c(F)c1 ZINC000632408189 566029637 /nfs/dbraw/zinc/02/96/37/566029637.db2.gz WQDCLGUXVNINOY-UHFFFAOYSA-N 1 0 379.295 2.693 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000654947764 566031078 /nfs/dbraw/zinc/03/10/78/566031078.db2.gz VXCYKAARDKSHBN-HOTGVXAUSA-N 1 0 394.313 2.829 20 0 GFADRO NC(=O)C1(C[NH2+][C@H](c2ccc(Br)cc2)[C@H]2CCCO2)CCOCC1 ZINC000679332624 566037585 /nfs/dbraw/zinc/03/75/85/566037585.db2.gz XXQFOQATZYLKSO-HZPDHXFCSA-N 1 0 397.313 2.541 20 0 GFADRO CSc1cc(Br)ccc1C(=O)NCCC[N@H+](C)CCN(C)C ZINC000655082683 566038755 /nfs/dbraw/zinc/03/87/55/566038755.db2.gz PPQUQAUVJXSSPK-UHFFFAOYSA-N 1 0 388.375 2.784 20 0 GFADRO CC(C)N([C@H]1CC[N@H+](Cc2ccccc2)C1)S(=O)(=O)c1c[nH]c(=O)s1 ZINC000632499727 566039516 /nfs/dbraw/zinc/03/95/16/566039516.db2.gz PVDBHJKJRSVWLB-HNNXBMFYSA-N 1 0 381.523 2.522 20 0 GFADRO CN(C(=O)c1cc(F)ccc1I)[C@@H]1C[NH+]2CCC1CC2 ZINC000609532520 566043085 /nfs/dbraw/zinc/04/30/85/566043085.db2.gz FTYFZWBZINRAMR-CQSZACIVSA-N 1 0 388.224 2.597 20 0 GFADRO C[N@@H+]1CC[C@H](C(=O)NCCSCCOc2cccc(Br)c2)C1 ZINC000609551476 566044370 /nfs/dbraw/zinc/04/43/70/566044370.db2.gz IROOTBBOLWXLQH-ZDUSSCGKSA-N 1 0 387.343 2.629 20 0 GFADRO O=C(CCCSc1ccc(Br)cc1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000655297742 566050770 /nfs/dbraw/zinc/05/07/70/566050770.db2.gz RZPPVSBNYNJAHW-LSDHHAIUSA-N 1 0 399.354 2.599 20 0 GFADRO O=C(NCCOc1ncc(C(F)(F)F)cc1Cl)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000655448959 566057520 /nfs/dbraw/zinc/05/75/20/566057520.db2.gz CDRZITRZMFJDGJ-NHYWBVRUSA-N 1 0 377.794 2.639 20 0 GFADRO O=C(Nc1cnn(-c2ccccc2Br)c1)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000655471283 566058315 /nfs/dbraw/zinc/05/83/15/566058315.db2.gz KLXOYBBFVBPKNI-DYVFJYSZSA-N 1 0 375.270 2.963 20 0 GFADRO O=C(NCc1noc(-c2cccc(Br)c2)n1)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC000655477127 566058755 /nfs/dbraw/zinc/05/87/55/566058755.db2.gz AKMSQUULRWMAJC-CXAGYDPISA-N 1 0 391.269 2.505 20 0 GFADRO COc1ccc(Cl)c(S(=O)(=O)N2CCCN(c3cc[nH+]cc3)CC2)c1 ZINC000632721483 566061241 /nfs/dbraw/zinc/06/12/41/566061241.db2.gz FJTUQMAXCTWWIE-UHFFFAOYSA-N 1 0 381.885 2.645 20 0 GFADRO Cc1c(Br)cccc1CS(=O)(=O)NCC[N@H+]1CC[C@@H](C)C1 ZINC000655529205 566063451 /nfs/dbraw/zinc/06/34/51/566063451.db2.gz POZOCYQOCJJCTB-GFCCVEGCSA-N 1 0 375.332 2.519 20 0 GFADRO Cc1cc(Br)cn2c(CN3CC[NH+](C[C@H]4CCCO4)CC3)cnc12 ZINC000680326070 566067266 /nfs/dbraw/zinc/06/72/66/566067266.db2.gz BILLBIWSHGSRCT-QGZVFWFLSA-N 1 0 393.329 2.702 20 0 GFADRO Cc1csc(-c2ccc(S(=O)(=O)N3CC[C@@H]4CC[N@@H+](C)C[C@H]43)cc2)n1 ZINC000655552996 566067824 /nfs/dbraw/zinc/06/78/24/566067824.db2.gz YKLMYUOSEBSVAA-WMLDXEAASA-N 1 0 377.535 2.833 20 0 GFADRO COc1cc(C(=O)N2CCC[C@H]3C[NH2+]CC[C@H]32)cc(Br)c1OC ZINC000632874100 566071889 /nfs/dbraw/zinc/07/18/89/566071889.db2.gz DGBZDJPEEZHVJV-SMDDNHRTSA-N 1 0 383.286 2.680 20 0 GFADRO C[C@@H]1CN(C(=O)Nc2cc(Br)ccc2-n2cccn2)C[C@H]1C[NH3+] ZINC000632911196 566074358 /nfs/dbraw/zinc/07/43/58/566074358.db2.gz IVZHXTLLTPQQQN-VXGBXAGGSA-N 1 0 378.274 2.693 20 0 GFADRO C[NH+](C)CCN(CC(=O)OC(C)(C)C)C(=O)[C@H]1SCCc2sccc21 ZINC000610291716 566074894 /nfs/dbraw/zinc/07/48/94/566074894.db2.gz CVMJXURLFZVPBQ-INIZCTEOSA-N 1 0 384.567 2.810 20 0 GFADRO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)Nc1ccnn1Cc1ccc(Br)cc1 ZINC000632936829 566074969 /nfs/dbraw/zinc/07/49/69/566074969.db2.gz PWRCGAUVBJSMOE-BXUZGUMPSA-N 1 0 378.274 2.647 20 0 GFADRO [NH3+]CC[C@H](NC(=O)N[C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21)C(F)(F)F ZINC000632953525 566076682 /nfs/dbraw/zinc/07/66/82/566076682.db2.gz WUVAXOHZPIAUFL-LPTSXCQYSA-N 1 0 392.219 2.666 20 0 GFADRO Cc1ccc(SCC(F)(F)F)c(NC(=O)C(=O)N2C[C@H]([NH3+])C[C@H]2C)c1 ZINC000633039394 566080365 /nfs/dbraw/zinc/08/03/65/566080365.db2.gz SYEYDCZISHSDIA-GHMZBOCLSA-N 1 0 375.416 2.536 20 0 GFADRO Cc1ccc(SCC(F)(F)F)c(NC(=O)C(=O)N2C[C@@H]([NH3+])C[C@H]2C)c1 ZINC000633039395 566080436 /nfs/dbraw/zinc/08/04/36/566080436.db2.gz SYEYDCZISHSDIA-MNOVXSKESA-N 1 0 375.416 2.536 20 0 GFADRO COc1cc(Cl)c(S(=O)(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1OC ZINC000655667836 566080449 /nfs/dbraw/zinc/08/04/49/566080449.db2.gz JLJHGYHRGKQDMO-KBPBESRZSA-N 1 0 388.917 2.652 20 0 GFADRO C[C@H](NS(=O)(=O)c1cccs1)c1nc(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)no1 ZINC000680770777 566081363 /nfs/dbraw/zinc/08/13/63/566081363.db2.gz HOOADGHTXXWDSU-WODVXLOZSA-N 1 0 382.511 2.511 20 0 GFADRO Cc1cccc(NC(=O)C(=O)N[C@@H]2CC[NH2+]CC(C)(C)C2)c1Br ZINC000633046947 566082126 /nfs/dbraw/zinc/08/21/26/566082126.db2.gz WKHCXAPLZNEBHX-GFCCVEGCSA-N 1 0 382.302 2.590 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)N[C@@H]2[C@H]3Cc4cc(Br)ccc4[C@@H]23)CC[N@@H+]1C ZINC000633091215 566083517 /nfs/dbraw/zinc/08/35/17/566083517.db2.gz CAVWFLBWGSMHKC-NVBQRKALSA-N 1 0 378.314 2.869 20 0 GFADRO Cc1nn(-c2cccc(Br)c2)cc1C[NH2+]CCN1CCO[C@H](C)C1 ZINC000655729063 566083987 /nfs/dbraw/zinc/08/39/87/566083987.db2.gz DNRMXOOBXUGNHC-CQSZACIVSA-N 1 0 393.329 2.754 20 0 GFADRO COCC[C@](C)(O)C[NH2+]Cc1cn(-c2cccc(Br)c2)nc1C ZINC000655736173 566085181 /nfs/dbraw/zinc/08/51/81/566085181.db2.gz NJZLOUKWBTUYSW-KRWDZBQOSA-N 1 0 382.302 2.820 20 0 GFADRO Cc1nn(-c2ccccc2Br)cc1C[NH2+]C1(CCO)CCOCC1 ZINC000655747973 566085784 /nfs/dbraw/zinc/08/57/84/566085784.db2.gz MVOMMRIGEZUYTI-UHFFFAOYSA-N 1 0 394.313 2.964 20 0 GFADRO CCOc1cc(Br)c(F)cc1NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC000633147730 566086566 /nfs/dbraw/zinc/08/65/66/566086566.db2.gz FADYRMQVZPROQY-UHFFFAOYSA-N 1 0 399.264 2.997 20 0 GFADRO Brc1cccc(N2CC[C@@H]([NH2+]C3CCN([C@H]4CCOC4)CC3)C2)c1 ZINC000655761778 566087211 /nfs/dbraw/zinc/08/72/11/566087211.db2.gz PGXBESATWRXCOH-MJGOQNOKSA-N 1 0 394.357 2.871 20 0 GFADRO COc1cc(CNC2CC[NH+]([C@H]3CCOC3)CC2)c(Br)cc1O ZINC000655792568 566089765 /nfs/dbraw/zinc/08/97/65/566089765.db2.gz LMYWDAFQHXCCSL-AWEZNQCLSA-N 1 0 385.302 2.506 20 0 GFADRO Cc1nn(-c2cccc(Br)c2)cc1C[NH2+]CC1(CC(N)=O)CC1 ZINC000655783419 566090073 /nfs/dbraw/zinc/09/00/73/566090073.db2.gz IRQJCIHZSVRMCI-UHFFFAOYSA-N 1 0 377.286 2.688 20 0 GFADRO COc1c(Br)cc(Br)cc1C[NH2+]C[C@](C)(CO)OC ZINC000655811863 566090346 /nfs/dbraw/zinc/09/03/46/566090346.db2.gz XGLLYOPAGOTFOE-CYBMUJFWSA-N 1 0 397.107 2.707 20 0 GFADRO C[C@H](c1ccccc1)[C@@H](CO)[NH2+]C[C@@H](O)COc1cccc(Br)c1 ZINC000680990182 566090262 /nfs/dbraw/zinc/09/02/62/566090262.db2.gz ILOCJKCEBYKPGV-LSBZLQRGSA-N 1 0 394.309 2.943 20 0 GFADRO COC[C@H]1CCCC[N@H+](Cc2cc(=O)n3cc(Br)ccc3n2)C1 ZINC000681038399 566091626 /nfs/dbraw/zinc/09/16/26/566091626.db2.gz DRMGZFKFYNZRDL-ZDUSSCGKSA-N 1 0 380.286 2.706 20 0 GFADRO COc1ccc([C@@H](C)NC(=O)N[C@@H](C[NH3+])C(F)(F)F)cc1Br ZINC000655913837 566094820 /nfs/dbraw/zinc/09/48/20/566094820.db2.gz VOZMEMGOVFEXQH-HQJQHLMTSA-N 1 0 384.196 2.708 20 0 GFADRO C[C@@H](Cc1ccc(F)c(Br)c1)NC(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000655923080 566096787 /nfs/dbraw/zinc/09/67/87/566096787.db2.gz ZUSRHPZRUUNGJH-WRWORJQWSA-N 1 0 386.187 2.708 20 0 GFADRO C[C@H]1CN(c2ccc(Cl)c(F)c2)CCN1C(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000655926167 566097163 /nfs/dbraw/zinc/09/71/63/566097163.db2.gz HMTWNHMKQCYSFE-TVQRCGJNSA-N 1 0 382.789 2.589 20 0 GFADRO [NH3+][C@@H](Cc1ccccc1)[C@@H](O)CN1CCOc2cccc(Br)c2C1 ZINC000655948778 566097783 /nfs/dbraw/zinc/09/77/83/566097783.db2.gz DFVWJWBALMSTNH-ROUUACIJSA-N 1 0 391.309 2.574 20 0 GFADRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)N[C@@H]2[C@H]3Cc4c(cccc4Br)[C@@H]23)C1 ZINC000633338259 566098428 /nfs/dbraw/zinc/09/84/28/566098428.db2.gz QDDVBGXIDNESJM-WSBUHRGFSA-N 1 0 378.314 2.727 20 0 GFADRO C[C@@H](NC(=O)N1CCOc2cccc(Br)c2C1)[C@@H]1CCC[NH2+]C1 ZINC000655962560 566099105 /nfs/dbraw/zinc/09/91/05/566099105.db2.gz OQSGNPBZZUIULE-CHWSQXEVSA-N 1 0 382.302 2.741 20 0 GFADRO Cc1csc(-c2ccc(S(=O)(=O)N3C[C@@H]4CCC[C@H]([NH3+])[C@@H]4C3)cc2)n1 ZINC000655951757 566099291 /nfs/dbraw/zinc/09/92/91/566099291.db2.gz YLUVQQMUFBBESV-UAGQMJEPSA-N 1 0 377.535 2.866 20 0 GFADRO O=C(NCCCc1c(Cl)cccc1Cl)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000655972631 566099982 /nfs/dbraw/zinc/09/99/82/566099982.db2.gz HWVZXUQUBKIWIT-AWEZNQCLSA-N 1 0 385.339 2.615 20 0 GFADRO [NH3+]C[C@@H](NC(=O)N1CCOc2cccc(Br)c2C1)C1CCCC1 ZINC000655966977 566100263 /nfs/dbraw/zinc/10/02/63/566100263.db2.gz JFCRZBYSBNKWJQ-OAHLLOKOSA-N 1 0 382.302 2.871 20 0 GFADRO C[C@@H]([NH2+]CCOC[C@H]1CCOC1)c1ccccc1I ZINC000610815095 566101039 /nfs/dbraw/zinc/10/10/39/566101039.db2.gz PZHLQCGSMJJQFS-OLZOCXBDSA-N 1 0 375.250 2.995 20 0 GFADRO C[NH+](C)C1CCC(NC(=O)c2ccc3cncc(Br)c3n2)CC1 ZINC000633459179 566104410 /nfs/dbraw/zinc/10/44/10/566104410.db2.gz TWDSHMGXAJXHAC-UHFFFAOYSA-N 1 0 377.286 2.995 20 0 GFADRO CSc1cc(Br)ccc1C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000633480878 566105380 /nfs/dbraw/zinc/10/53/80/566105380.db2.gz QGOQOZXQGJYBID-CYBMUJFWSA-N 1 0 387.343 2.748 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)c2cc(Br)c3nccn3c2)C1 ZINC000633604607 566111013 /nfs/dbraw/zinc/11/10/13/566111013.db2.gz JDHOSQILDLMMID-LBPRGKRZSA-N 1 0 379.302 2.947 20 0 GFADRO C[N@@H+]1CCN(CCNc2ncc3scc(Br)c3n2)CC1(C)C ZINC000656184838 566111627 /nfs/dbraw/zinc/11/16/27/566111627.db2.gz RUBCUXDGSVBAQE-UHFFFAOYSA-N 1 0 384.347 2.892 20 0 GFADRO Cn1c2cc(Br)ccc2nc1CN1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000681594178 566117290 /nfs/dbraw/zinc/11/72/90/566117290.db2.gz VLCOBDRFWINLSP-HNNXBMFYSA-N 1 0 393.329 2.632 20 0 GFADRO CO[C@@H]1C[N@H+](Cc2cn(-c3cccc(Br)c3)nc2C)C[C@@H]1OC ZINC000656257967 566118652 /nfs/dbraw/zinc/11/86/52/566118652.db2.gz NHUBOIPPIBJCAY-CALCHBBNSA-N 1 0 380.286 2.789 20 0 GFADRO O=C(N=c1ccn(C2CCSCC2)[nH]1)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000633863136 566127943 /nfs/dbraw/zinc/12/79/43/566127943.db2.gz POIVBOUWBABXEQ-INIZCTEOSA-N 1 0 380.583 2.529 20 0 GFADRO C[C@@H](CNC(=O)c1cnc2ncc(Br)cc2c1)C[NH+]1CCCC1 ZINC000681964720 566135007 /nfs/dbraw/zinc/13/50/07/566135007.db2.gz QFXORJWOSQRPEF-LBPRGKRZSA-N 1 0 377.286 2.854 20 0 GFADRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)c1cnc2ncc(Br)cc2c1 ZINC000681960452 566135358 /nfs/dbraw/zinc/13/53/58/566135358.db2.gz IJBAGKZADGHSJU-LSDHHAIUSA-N 1 0 375.270 2.749 20 0 GFADRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)c2cnc3ncc(Br)cc3c2)C1 ZINC000681973001 566136534 /nfs/dbraw/zinc/13/65/34/566136534.db2.gz UVANCCGOPNGFNP-LBPRGKRZSA-N 1 0 377.286 2.852 20 0 GFADRO CCOC(=O)COc1c(Br)cc(C)cc1C[NH2+]CC1(CO)CC1 ZINC000611622208 566139747 /nfs/dbraw/zinc/13/97/47/566139747.db2.gz FRTIAKPIJSSGEM-UHFFFAOYSA-N 1 0 386.286 2.562 20 0 GFADRO CC1(C)CN(CCOc2ccc(Cl)cc2Br)CC[N@@H+]1CCO ZINC000682035742 566140802 /nfs/dbraw/zinc/14/08/02/566140802.db2.gz SJGINTRCBDBCRG-UHFFFAOYSA-N 1 0 391.737 2.870 20 0 GFADRO CCC1([NH+](C)C)CCN(C(=O)c2ccc(Cl)c(NS(C)(=O)=O)c2)CC1 ZINC000634120125 566144695 /nfs/dbraw/zinc/14/46/95/566144695.db2.gz GTMFZUIEKCHGDC-UHFFFAOYSA-N 1 0 387.933 2.658 20 0 GFADRO Cc1cccc(NC(=O)C(=O)N[C@H](C)C2CC[NH+](C)CC2)c1Br ZINC000682193455 566146203 /nfs/dbraw/zinc/14/62/03/566146203.db2.gz WTOFPFNPQBYMEP-GFCCVEGCSA-N 1 0 382.302 2.543 20 0 GFADRO CCOC1CC[NH+](C[C@@H](O)COc2cc(F)cc(Br)c2)CC1 ZINC000682186068 566147239 /nfs/dbraw/zinc/14/72/39/566147239.db2.gz BOUHCTJYIICVOB-CQSZACIVSA-N 1 0 376.266 2.829 20 0 GFADRO CCO[C@@H](CC[NH+](C)C)CNC(=O)c1ccc(Br)c(F)c1C ZINC000612100747 566151139 /nfs/dbraw/zinc/15/11/39/566151139.db2.gz BDJKCJCRNXHHQM-LBPRGKRZSA-N 1 0 375.282 2.983 20 0 GFADRO CCC1([NH+](C)C)CCN(c2nnc(-c3cc(Br)cn3C)n2C)CC1 ZINC000634334507 566154176 /nfs/dbraw/zinc/15/41/76/566154176.db2.gz XXRKOMZGKNCUGX-UHFFFAOYSA-N 1 0 395.349 2.894 20 0 GFADRO CCN1CC[C@@H]([NH2+]CC2(c3ccc(Br)cc3)CCOCC2)C1=O ZINC000656673809 566154690 /nfs/dbraw/zinc/15/46/90/566154690.db2.gz QGGGZVLTWXMODE-MRXNPFEDSA-N 1 0 381.314 2.708 20 0 GFADRO C[C@@H](C[S@@](C)=O)[NH2+]Cc1sc(N2CCOCC2)nc1-c1ccccc1 ZINC000612201838 566154697 /nfs/dbraw/zinc/15/46/97/566154697.db2.gz DASBHHNURVPQPR-HWRSSNJWSA-N 1 0 379.551 2.503 20 0 GFADRO COCC1(C2CCC2)C[NH+](C[C@H](O)COc2ccc(Br)cc2)C1 ZINC000656705237 566155554 /nfs/dbraw/zinc/15/55/54/566155554.db2.gz IRGRLQPKTAEUTP-INIZCTEOSA-N 1 0 384.314 2.937 20 0 GFADRO O=S1(=O)CC(CC[NH2+]Cc2cc(Br)ccc2OC(F)F)C1 ZINC000682474882 566155940 /nfs/dbraw/zinc/15/59/40/566155940.db2.gz UWJOVGOZROCVEL-UHFFFAOYSA-N 1 0 384.242 2.575 20 0 GFADRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)[C@@H]1CCO[C@H]1c1cncc(Br)c1 ZINC000612303910 566157842 /nfs/dbraw/zinc/15/78/42/566157842.db2.gz KGISEDCMENCMDZ-AHBIMHKDSA-N 1 0 394.313 2.521 20 0 GFADRO COCCN(CC[NH+](C)C)C(=O)Cc1ccc(Br)c(Cl)c1 ZINC000682493589 566158019 /nfs/dbraw/zinc/15/80/19/566158019.db2.gz SQOMXFCNUUIVDR-UHFFFAOYSA-N 1 0 377.710 2.682 20 0 GFADRO O=C(Cc1ccc(Br)c(Cl)c1)NCC[NH+]1CCSCC1 ZINC000682499708 566159079 /nfs/dbraw/zinc/15/90/79/566159079.db2.gz MRWYPZGMKOBNAT-UHFFFAOYSA-N 1 0 377.735 2.810 20 0 GFADRO COc1cc(Br)ccc1[C@H](C)[NH2+]C1CCN(S(C)(=O)=O)CC1 ZINC000682500865 566159383 /nfs/dbraw/zinc/15/93/83/566159383.db2.gz VSJXLAIMEBMBGX-NSHDSACASA-N 1 0 391.331 2.532 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@H]1CN1C(=O)N[C@H](c2ccc(Br)cc2)C1=O ZINC000656821867 566167636 /nfs/dbraw/zinc/16/76/36/566167636.db2.gz MGCOMZMELVUJPS-UONOGXRCSA-N 1 0 380.286 2.915 20 0 GFADRO C[C@](O)(C[C@H](O)C[NH2+]C[C@@H]1CCN(c2cccc(Br)c2)C1)C1CC1 ZINC000634701068 566170370 /nfs/dbraw/zinc/17/03/70/566170370.db2.gz JYRWFOYDNKGKGO-JVPBZIDWSA-N 1 0 397.357 2.777 20 0 GFADRO Cn1cc(C(=O)Nc2cnn(CC[NH+](C)C)c2)c(-c2ccc(Cl)s2)n1 ZINC000682798531 566170814 /nfs/dbraw/zinc/17/08/14/566170814.db2.gz VLNSCTRUHOFBKG-UHFFFAOYSA-N 1 0 378.889 2.812 20 0 GFADRO C[C@H](NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ncc(Br)cn1 ZINC000634713811 566171724 /nfs/dbraw/zinc/17/17/24/566171724.db2.gz BFXZNSMITPVNFQ-KSSFIOAISA-N 1 0 391.313 2.527 20 0 GFADRO COCC1(C[NH2+]C[C@@H](O)COc2cc(Cl)cc(Cl)c2)CCOCC1 ZINC000634714419 566171922 /nfs/dbraw/zinc/17/19/22/566171922.db2.gz LDRHTMQUQJMLJO-OAHLLOKOSA-N 1 0 378.296 2.766 20 0 GFADRO C[C@@H]([NH2+]C[C@H](O)CC1(O)CCOCC1)c1ccc(Br)cc1F ZINC000634714235 566172578 /nfs/dbraw/zinc/17/25/78/566172578.db2.gz IGAHWKWUIGVSSG-DGCLKSJQSA-N 1 0 376.266 2.531 20 0 GFADRO C[C@@H]1CCC[N@H+](CCNS(=O)(=O)Cc2cc(F)ccc2Br)C1 ZINC000656877320 566173393 /nfs/dbraw/zinc/17/33/93/566173393.db2.gz MPADDDCOXDTQDE-GFCCVEGCSA-N 1 0 393.322 2.740 20 0 GFADRO Cc1ccc(C(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c(C)c1Br ZINC000682892794 566174788 /nfs/dbraw/zinc/17/47/88/566174788.db2.gz JQCWARPNZZIURN-CVEARBPZSA-N 1 0 381.314 2.737 20 0 GFADRO CC[NH+]1CCN([C@@H](C)CNC(=O)c2ccc(C)c(Br)c2C)CC1 ZINC000682900609 566175439 /nfs/dbraw/zinc/17/54/39/566175439.db2.gz ZOTPRFWPDWZJRS-AWEZNQCLSA-N 1 0 382.346 2.822 20 0 GFADRO Cc1cc(F)c(Br)cc1S(=O)(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000682929050 566177129 /nfs/dbraw/zinc/17/71/29/566177129.db2.gz DNLGQTKESSOQKC-LBPRGKRZSA-N 1 0 391.306 2.659 20 0 GFADRO C[C@@]1(NC(=O)NCC2(c3ccc(Br)cc3)CCOCC2)CC[NH2+]C1 ZINC000612873934 566177726 /nfs/dbraw/zinc/17/77/26/566177726.db2.gz AMHIOBPZEQMYQH-QGZVFWFLSA-N 1 0 396.329 2.549 20 0 GFADRO C[C@H](CNS(=O)(=O)c1ncccc1Br)[N@H+](C)Cc1ccccc1 ZINC000656898324 566178997 /nfs/dbraw/zinc/17/89/97/566178997.db2.gz MEGLUQQGXJXKNJ-CYBMUJFWSA-N 1 0 398.326 2.643 20 0 GFADRO C[C@@H]1C[C@@H](N(C)S(=O)(=O)Cc2cc(F)ccc2Br)CC[N@@H+]1C ZINC000656917181 566183657 /nfs/dbraw/zinc/18/36/57/566183657.db2.gz YDPBLGDFZBINGT-RISCZKNCSA-N 1 0 393.322 2.833 20 0 GFADRO O=S1(=O)CCC[C@@H]([NH2+][C@@H]2CCN(c3ccc(Br)cc3)C2)CC1 ZINC000634959457 566185976 /nfs/dbraw/zinc/18/59/76/566185976.db2.gz RNKMWRDJBYWTBB-HUUCEWRRSA-N 1 0 387.343 2.585 20 0 GFADRO O=S1(=O)CCC[C@@H]([NH2+]CCOc2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000634963695 566186096 /nfs/dbraw/zinc/18/60/96/566186096.db2.gz BCKHYOMDJPPHJN-LLVKDONJSA-N 1 0 386.823 2.690 20 0 GFADRO Cc1nnc(CC(=O)NC[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)s1 ZINC000613130108 566186172 /nfs/dbraw/zinc/18/61/72/566186172.db2.gz XHVVAUXTEYVIJG-YVEFUNNKSA-N 1 0 382.892 2.991 20 0 GFADRO C[C@H](CC(F)(F)F)CS(=O)(=O)N1C[C@H](C[NH+](C)C)Oc2ccccc21 ZINC000656934500 566186943 /nfs/dbraw/zinc/18/69/43/566186943.db2.gz IHJOEDPHTVNAKU-OLZOCXBDSA-N 1 0 380.432 2.734 20 0 GFADRO Cc1cc(NC(=O)C(=O)N2CCC[C@H]([NH2+]C(C)C)C2)cc(C)c1Br ZINC000683166433 566186911 /nfs/dbraw/zinc/18/69/11/566186911.db2.gz YYDUJRHYCNCISG-AWEZNQCLSA-N 1 0 396.329 2.993 20 0 GFADRO CCCN(CC[NH+](CC)CC)S(=O)(=O)c1ncccc1Br ZINC000656959486 566194577 /nfs/dbraw/zinc/19/45/77/566194577.db2.gz AICXOSQUEBCLSM-UHFFFAOYSA-N 1 0 378.336 2.587 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@H]1CNS(=O)(=O)Cc1ccc(OC(F)(F)F)cc1 ZINC000657033966 566208672 /nfs/dbraw/zinc/20/86/72/566208672.db2.gz NUFHKCHCQVCTIA-ZDUSSCGKSA-N 1 0 380.432 2.877 20 0 GFADRO CN(C)c1cc(NS(=O)(=O)Cc2ccc(OC(F)(F)F)cc2)cc[nH+]1 ZINC000683707772 566210030 /nfs/dbraw/zinc/21/00/30/566210030.db2.gz IAYZPLDLBILVFW-UHFFFAOYSA-N 1 0 375.372 2.988 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@@H](CNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)C1 ZINC000657035254 566211047 /nfs/dbraw/zinc/21/10/47/566211047.db2.gz VEWAIJMAGNEXHW-LBPRGKRZSA-N 1 0 380.432 2.984 20 0 GFADRO C[N@@H+]1CC[C@@H](CC(=O)N2CCN(C(=O)c3c(Cl)cccc3Cl)CC2)C1 ZINC000635403476 566211197 /nfs/dbraw/zinc/21/11/97/566211197.db2.gz OYMYUZKUTPLSAO-ZDUSSCGKSA-N 1 0 384.307 2.620 20 0 GFADRO Cc1ccc(Cl)c(S(=O)(=O)NCC2CC[NH+](C3CCOCC3)CC2)c1 ZINC000657039703 566211687 /nfs/dbraw/zinc/21/16/87/566211687.db2.gz GCQQNXYKIBCFDN-UHFFFAOYSA-N 1 0 386.945 2.818 20 0 GFADRO COc1ccc(Br)c(S(=O)(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)c1 ZINC000657061271 566215612 /nfs/dbraw/zinc/21/56/12/566215612.db2.gz KZPZSPQQWVHOEY-LLVKDONJSA-N 1 0 391.331 2.609 20 0 GFADRO COc1cc(Cl)c(S(=O)(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)cc1OC ZINC000657061722 566215857 /nfs/dbraw/zinc/21/58/57/566215857.db2.gz OONIAJRUZRYBLG-LLVKDONJSA-N 1 0 376.906 2.508 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@H](NS(=O)(=O)c2ccc(Br)c(F)c2)C1 ZINC000657063168 566215923 /nfs/dbraw/zinc/21/59/23/566215923.db2.gz VFJUTVODVOPHSW-JTQLQIEISA-N 1 0 379.295 2.739 20 0 GFADRO COc1cc(C(F)(F)F)cc(S(=O)(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)c1 ZINC000657062856 566216267 /nfs/dbraw/zinc/21/62/67/566216267.db2.gz URZCAMHMIZIRLD-GFCCVEGCSA-N 1 0 380.432 2.865 20 0 GFADRO C[C@H]1C[C@@H](NC(=O)N2CCOc3c(Br)cccc3C2)CC[N@@H+]1C ZINC000684269172 566232063 /nfs/dbraw/zinc/23/20/63/566232063.db2.gz ZJWUANAJKWUIQE-JSGCOSHPSA-N 1 0 382.302 2.836 20 0 GFADRO C[N@H+](CCc1ccc(Cl)cc1)[C@H]1CCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000736804603 598833268 /nfs/dbraw/zinc/83/32/68/598833268.db2.gz RQGDGSYABMXJOB-SFHVURJKSA-N 1 0 396.882 2.800 20 0 GFADRO O=C(CCc1ccc(-c2nn[nH]n2)cc1)N(CC[NH+]1CCCC1)c1ccccc1 ZINC000737851829 598837905 /nfs/dbraw/zinc/83/79/05/598837905.db2.gz KFBBVFFVCGYOSG-UHFFFAOYSA-N 1 0 390.491 2.928 20 0 GFADRO COC(=O)[C@@H](c1ccc(-c2nn[nH]n2)cc1)[N@@H+]1CC[C@@H](c2ccccc2C)C1 ZINC000736899613 598860757 /nfs/dbraw/zinc/86/07/57/598860757.db2.gz CAMYLEPYNJJDHO-IEBWSBKVSA-N 1 0 377.448 2.879 20 0 GFADRO COC(=O)[C@@H](c1ccc(-c2nn[nH]n2)cc1)[N@@H+]1CC[C@H](c2ccccc2C)C1 ZINC000736899617 598860817 /nfs/dbraw/zinc/86/08/17/598860817.db2.gz CAMYLEPYNJJDHO-PKOBYXMFSA-N 1 0 377.448 2.879 20 0 GFADRO O[C@H]1CCCC[C@@H]1[NH2+]Cc1cccc(OCc2ccccc2-c2nn[nH]n2)c1 ZINC000738390119 598900967 /nfs/dbraw/zinc/90/09/67/598900967.db2.gz PHUZJGHKLXGRKF-PMACEKPBSA-N 1 0 379.464 2.839 20 0 GFADRO c1ccc(C[N@H+]2CCC[C@@H]2CNc2c3ccccc3nnc2-c2nn[nH]n2)cc1 ZINC000738432753 598970157 /nfs/dbraw/zinc/97/01/57/598970157.db2.gz LADHTVHCLSOTRQ-MRXNPFEDSA-N 1 0 386.463 2.886 20 0 GFADRO COc1ccc(OC)c([C@@H](C)[NH2+]CCOc2ccc(-c3nn[nH]n3)cc2OC)c1 ZINC000737109752 598981989 /nfs/dbraw/zinc/98/19/89/598981989.db2.gz UERTXVDCUCKYTH-CYBMUJFWSA-N 1 0 399.451 2.622 20 0 GFADRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000736290979 599011801 /nfs/dbraw/zinc/01/18/01/599011801.db2.gz SRAVWMLDIZYFMZ-INIZCTEOSA-N 1 0 391.479 2.995 20 0 GFADRO CC1CCC([NH+]2CCN(C(=S)Nc3ccccc3-c3nn[nH]n3)CC2)CC1 ZINC000736243635 599013813 /nfs/dbraw/zinc/01/38/13/599013813.db2.gz XLMZUFGNEGWVFZ-UHFFFAOYSA-N 1 0 385.541 2.760 20 0 GFADRO CC(C)[C@@H](C(=O)OCc1cn2ccccc2c1-c1nn[nH]n1)[NH+]1CCCCC1 ZINC000735692356 599016444 /nfs/dbraw/zinc/01/64/44/599016444.db2.gz SQIFVUGLEFOUDA-SFHVURJKSA-N 1 0 382.468 2.673 20 0 GFADRO COc1ccc([C@@H]2[C@@H](COC(=O)c3sccc3-c3nn[nH]n3)CC[N@@H+]2C)cc1 ZINC000737073953 599028637 /nfs/dbraw/zinc/02/86/37/599028637.db2.gz CUGMAXKKICBFGA-CZUORRHYSA-N 1 0 399.476 2.787 20 0 GFADRO C[NH+](C)[C@H](CNc1nc(C(F)(F)F)ccc1-c1nn[nH]n1)c1ccccc1 ZINC000736762817 599038859 /nfs/dbraw/zinc/03/88/59/599038859.db2.gz XKPCRTKQNJQTHS-CYBMUJFWSA-N 1 0 377.374 2.995 20 0 GFADRO C[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(-c3nn[nH]n3)cc2)[C@@H]1c1cccs1 ZINC000736858976 599085038 /nfs/dbraw/zinc/08/50/38/599085038.db2.gz WMRYRJMILAHHBW-DOTOQJQBSA-N 1 0 382.493 2.741 20 0 GFADRO C[C@@H]([NH2+][C@@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1)C12CC3CC(CC(C3)C1)C2 ZINC000736126405 599100065 /nfs/dbraw/zinc/10/00/65/599100065.db2.gz NECWHEJAASOZTB-BZMFMAAYSA-N 1 0 380.496 2.588 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)c2cccc(Nc3ccc(-c4nn[nH]n4)cc3)c2)CC[N@@H+]1C ZINC000736231715 599106038 /nfs/dbraw/zinc/10/60/38/599106038.db2.gz CIBFTDXXQALNLE-KUHUBIRLSA-N 1 0 391.479 2.823 20 0 GFADRO Cc1cc(C)c(-c2nn[nH]n2)c(N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000822191751 599107115 /nfs/dbraw/zinc/10/71/15/599107115.db2.gz PNEFMHISEUSHCQ-SFHVURJKSA-N 1 0 377.496 2.837 20 0 GFADRO Cc1cccc(C2(O)CC[NH+](CCOc3cccc(-c4nn[nH]n4)c3)CC2)c1C ZINC000737391053 599145643 /nfs/dbraw/zinc/14/56/43/599145643.db2.gz XCAGVEARVIKHPB-UHFFFAOYSA-N 1 0 393.491 2.846 20 0 GFADRO Cc1nnc(NC2CC[NH+]([C@H](C)c3ccccc3)CC2)c(-c2nn[nH]n2)c1C ZINC000737520356 599171597 /nfs/dbraw/zinc/17/15/97/599171597.db2.gz JHDLRYGJUAZGKS-OAHLLOKOSA-N 1 0 378.484 2.911 20 0 GFADRO CC[NH+](CC)Cc1ccc(C(=O)N(CCOC)c2ccc(-c3nn[nH]n3)cc2)o1 ZINC000736530867 599203025 /nfs/dbraw/zinc/20/30/25/599203025.db2.gz NWRIQYPBKYUWJV-UHFFFAOYSA-N 1 0 398.467 2.595 20 0 GFADRO C[C@@H]1CCN(C(=O)Nc2ccc(-c3nn[nH]n3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000820715728 599242969 /nfs/dbraw/zinc/24/29/69/599242969.db2.gz DUEMWKKXPVFWPO-MRXNPFEDSA-N 1 0 391.479 2.995 20 0 GFADRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)Nc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000821614676 599243509 /nfs/dbraw/zinc/24/35/09/599243509.db2.gz QJURDYMELHGION-GOSISDBHSA-N 1 0 377.452 2.605 20 0 GFADRO Cc1c(NC(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)cccc1-c1nn[nH]n1 ZINC000822097272 607292824 /nfs/dbraw/zinc/29/28/24/607292824.db2.gz WHQQSJAAIYERLU-KRWDZBQOSA-N 1 0 383.431 2.739 20 0 GFADRO Fc1cccc(Sc2nnc(C3CC[NH2+]CC3)n2C2CC2)c1-c1nn[nH]n1 ZINC000737664052 599268019 /nfs/dbraw/zinc/26/80/19/599268019.db2.gz LZDQJJMMGGGZGV-UHFFFAOYSA-N 1 0 386.460 2.550 20 0 GFADRO CC[NH+](CC)[C@@H]1CCN(C(=O)Nc2ccc(-c3nn[nH]n3)c(C(F)(F)F)c2)C1 ZINC000821181235 599291796 /nfs/dbraw/zinc/29/17/96/599291796.db2.gz KUXZQTOJVCFWEM-GFCCVEGCSA-N 1 0 397.405 2.834 20 0 GFADRO CC[N@H+](CCNC(=O)Nc1ccc(-c2nn[nH]n2)c(C(F)(F)F)c1)C(C)C ZINC000821214007 599292218 /nfs/dbraw/zinc/29/22/18/599292218.db2.gz GNSHSOQIIRIDLZ-UHFFFAOYSA-N 1 0 385.394 2.737 20 0 GFADRO COc1cc(-c2nn[nH]n2)ccc1Oc1ccc(NC(=O)C[N@H+](C)C(C)C)cc1 ZINC000737033188 598231552 /nfs/dbraw/zinc/23/15/52/598231552.db2.gz UUKBPBYXICCXKZ-UHFFFAOYSA-N 1 0 396.451 2.946 20 0 GFADRO CN(C[C@H]1CC[N@H+](C)C1)C(=O)c1ccccc1-c1ccccc1-c1nn[nH]n1 ZINC000736848986 598238095 /nfs/dbraw/zinc/23/80/95/598238095.db2.gz QKRAHTVRNJPTEI-HNNXBMFYSA-N 1 0 376.464 2.557 20 0 GFADRO O=C(C[NH2+][C@H](c1ccccc1)C1CCC1)NCc1cccc(-c2nn[nH]n2)c1 ZINC000737890583 598247692 /nfs/dbraw/zinc/24/76/92/598247692.db2.gz AWGRXIMWKZKNPX-HXUWFJFHSA-N 1 0 376.464 2.614 20 0 GFADRO O=C(C[NH2+]C1(c2ccc(Cl)cc2)CCC1)NCc1cccc(-c2nn[nH]n2)c1 ZINC000737892642 598248586 /nfs/dbraw/zinc/24/85/86/598248586.db2.gz YTNLGMBNKDZWRV-UHFFFAOYSA-N 1 0 396.882 2.805 20 0 GFADRO Fc1ccccc1OCC[NH+]1CCC(Oc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000737668153 598250622 /nfs/dbraw/zinc/25/06/22/598250622.db2.gz DSSUTSGDMUSMRE-UHFFFAOYSA-N 1 0 383.427 2.928 20 0 GFADRO O=C(Nc1cccc(F)c1)C1CC[NH+](Cc2cc(-c3nn[nH]n3)ccc2F)CC1 ZINC000738183364 598251981 /nfs/dbraw/zinc/25/19/81/598251981.db2.gz MOVXUJIXRDRYGV-UHFFFAOYSA-N 1 0 398.417 2.996 20 0 GFADRO Cc1ccccc1[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2cccc(-c3nn[nH]n3)c2)C1 ZINC000737420719 598255435 /nfs/dbraw/zinc/25/54/35/598255435.db2.gz GZSVZQVZQQEUSX-RDJZCZTQSA-N 1 0 376.464 2.992 20 0 GFADRO O=C(Oc1ccccc1)N1CCC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000738246111 598258750 /nfs/dbraw/zinc/25/87/50/598258750.db2.gz AXMADFICSLNQNS-UHFFFAOYSA-N 1 0 378.436 2.573 20 0 GFADRO C[NH+](C)Cc1cccc(CNC(=O)Nc2cc(-c3nn[nH]n3)cn2C(C)(C)C)c1 ZINC000736771729 598278177 /nfs/dbraw/zinc/27/81/77/598278177.db2.gz OZTHIOXNPJOWOQ-UHFFFAOYSA-N 1 0 396.499 2.807 20 0 GFADRO CC[NH+](CC)Cc1ccc(C(=O)NCc2ccc(-c3nn[nH]n3)cc2F)cc1 ZINC000736529950 598301342 /nfs/dbraw/zinc/30/13/42/598301342.db2.gz CJFYJLXYMQJQKC-UHFFFAOYSA-N 1 0 382.443 2.778 20 0 GFADRO CCCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)NCC1CC[NH+](CC)CC1 ZINC000736479440 598303862 /nfs/dbraw/zinc/30/38/62/598303862.db2.gz HIMBRUWPRNBYKT-UHFFFAOYSA-N 1 0 385.516 2.520 20 0 GFADRO C[N@H+](Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1)[C@H]1CCCCNC1=O ZINC000736812099 598310394 /nfs/dbraw/zinc/31/03/94/598310394.db2.gz BTQHOQFHYLAJTD-IBGZPJMESA-N 1 0 376.464 2.634 20 0 GFADRO O=C(CC[N@@H+]1CCCO[C@@H](c2ccccc2)C1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000737845320 598312316 /nfs/dbraw/zinc/31/23/16/598312316.db2.gz YWTOBATWOMRFKP-LJQANCHMSA-N 1 0 392.463 2.659 20 0 GFADRO COc1cc(C)c(C[N@H+](C)CCOc2ccc(-c3nn[nH]n3)cc2)cc1OC ZINC000737039709 598376795 /nfs/dbraw/zinc/37/67/95/598376795.db2.gz JJSHBELXDMOHJY-UHFFFAOYSA-N 1 0 383.452 2.703 20 0 GFADRO Cc1cc(NC[C@@H](C2CC2)[NH+](C)C)n2c3ccccc3nc2c1-c1nn[nH]n1 ZINC000737274995 598382931 /nfs/dbraw/zinc/38/29/31/598382931.db2.gz SERLHHVGSLUVJX-INIZCTEOSA-N 1 0 376.468 2.728 20 0 GFADRO c1cc(-c2nn[nH]n2)ccc1OCC[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000738413279 598384615 /nfs/dbraw/zinc/38/46/15/598384615.db2.gz RVSOOMUQVRCXIY-GOSISDBHSA-N 1 0 393.447 2.854 20 0 GFADRO O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)c1ccc(-c2nn[nH]n2)cn1 ZINC000738160090 598447686 /nfs/dbraw/zinc/44/76/86/598447686.db2.gz RNNOWUUKDRHTKJ-UHFFFAOYSA-N 1 0 377.452 2.542 20 0 GFADRO COc1ccc(C)cc1CN1CC[NH+](Cc2ccccc2-c2nn[nH]n2)CC1 ZINC000737077133 598450227 /nfs/dbraw/zinc/45/02/27/598450227.db2.gz NPOQDKMJFIWWNB-UHFFFAOYSA-N 1 0 378.480 2.502 20 0 GFADRO C[C@H]1C[C@H]1c1ccc(C[NH2+]C2CCN(c3ccc(-c4nn[nH]n4)cn3)CC2)o1 ZINC000736237976 598466451 /nfs/dbraw/zinc/46/64/51/598466451.db2.gz QTYKXDXMRJMAGH-SUMWQHHRSA-N 1 0 379.468 2.737 20 0 GFADRO Cn1c(C[NH2+]CCSCc2ccccc2-c2nn[nH]n2)nc2ccccc21 ZINC000737589373 598467037 /nfs/dbraw/zinc/46/70/37/598467037.db2.gz DARYCXNPUVAQBZ-UHFFFAOYSA-N 1 0 379.493 2.776 20 0 GFADRO CCOc1ccc(-c2nn[nH]n2)cc1NC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000736637061 598483672 /nfs/dbraw/zinc/48/36/72/598483672.db2.gz OAQSBUZHHLDSQU-INIZCTEOSA-N 1 0 399.499 2.748 20 0 GFADRO C[NH+](C)CCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)Cc1cccc(Cl)c1 ZINC000736767126 598494656 /nfs/dbraw/zinc/49/46/56/598494656.db2.gz LYXOUMBFOLQEJG-UHFFFAOYSA-N 1 0 398.898 2.653 20 0 GFADRO C[N@@H+]1CCC[C@H](CNC(=O)c2cccc(Oc3ccc(-c4nn[nH]n4)cc3)c2)C1 ZINC000736858886 598497416 /nfs/dbraw/zinc/49/74/16/598497416.db2.gz VKVRULSBYOTLMD-OAHLLOKOSA-N 1 0 392.463 2.731 20 0 GFADRO O[C@H](c1ccc(F)cc1)C1CC[NH+](CCOc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000738385995 598507898 /nfs/dbraw/zinc/50/78/98/598507898.db2.gz KRFHQGPVJZQWJU-HXUWFJFHSA-N 1 0 397.454 2.830 20 0 GFADRO c1ccc2c(C[NH2+]C3CCN(c4ccc(-c5nn[nH]n5)cn4)CC3)ccnc2c1 ZINC000738432967 598562702 /nfs/dbraw/zinc/56/27/02/598562702.db2.gz KZRQGQZBXFLKGT-UHFFFAOYSA-N 1 0 386.463 2.569 20 0 GFADRO O=C(CCc1ccc(-c2nn[nH]n2)cc1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000737851795 598669245 /nfs/dbraw/zinc/66/92/45/598669245.db2.gz JMJLEHRMQCURNJ-LJQANCHMSA-N 1 0 396.539 2.914 20 0 GFADRO CCCCCCNC(=O)[C@@H]1CCC[N@H+](Cc2ccc(F)cc2-c2nn[nH]n2)C1 ZINC000736447257 598683078 /nfs/dbraw/zinc/68/30/78/598683078.db2.gz PWBOMHZFTJSUFT-MRXNPFEDSA-N 1 0 388.491 2.914 20 0 GFADRO Cc1cccc(CNC(=O)C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C(C)C)c1 ZINC000737394810 598702636 /nfs/dbraw/zinc/70/26/36/598702636.db2.gz XXZGBYOSZISMMG-UHFFFAOYSA-N 1 0 378.480 2.702 20 0 GFADRO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1CCCOc1ccc(-c2nn[nH]n2)cc1 ZINC000737194478 598707778 /nfs/dbraw/zinc/70/77/78/598707778.db2.gz LUKDJMNTJIPGIA-GOSISDBHSA-N 1 0 392.507 2.842 20 0 GFADRO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N(C)Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC000736400817 598716764 /nfs/dbraw/zinc/71/67/64/598716764.db2.gz CQFSBFLVGPSFLW-INIZCTEOSA-N 1 0 399.543 2.909 20 0 GFADRO Cc1cccc(CN(CC[NH+](C)C)C(=O)Nc2ccc(F)c(-c3nn[nH]n3)c2)c1 ZINC000737394094 598718483 /nfs/dbraw/zinc/71/84/83/598718483.db2.gz PCELDXLUHNYHGP-UHFFFAOYSA-N 1 0 397.458 2.910 20 0 GFADRO C[C@H](Cc1ccccc1)C(=O)N(CC[NH+](C)C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000736059367 598741243 /nfs/dbraw/zinc/74/12/43/598741243.db2.gz RUFXUTBQERLZGK-QGZVFWFLSA-N 1 0 392.507 2.636 20 0 GFADRO CCS[C@H]1CCCC[N@H+](CCC(=O)Nc2sccc2-c2nn[nH]n2)C1 ZINC000736663742 598748467 /nfs/dbraw/zinc/74/84/67/598748467.db2.gz GUISSCJVODQUFD-LBPRGKRZSA-N 1 0 380.543 2.864 20 0 GFADRO COc1cccc([C@@H](C)[NH+]2CCN(c3nc(C)cc(C)c3-c3nn[nH]n3)CC2)c1 ZINC000737121222 598757158 /nfs/dbraw/zinc/75/71/58/598757158.db2.gz LTYALLDGAFVSLA-MRXNPFEDSA-N 1 0 393.495 2.770 20 0 GFADRO CC[NH+]1CCC(N(C)c2cc(C)c(-c3nn[nH]n3)c3nc4ccccc4n32)CC1 ZINC000736565749 598814238 /nfs/dbraw/zinc/81/42/38/598814238.db2.gz PMWHCPVXKTWXRS-UHFFFAOYSA-N 1 0 390.495 2.897 20 0 GFADRO C[C@@H]1CN(C(=O)c2ccccc2-c2ccccc2-c2nn[nH]n2)C[C@H]1[NH+](C)C ZINC000736293320 599295896 /nfs/dbraw/zinc/29/58/96/599295896.db2.gz TVHDENVHJSTWAV-AUUYWEPGSA-N 1 0 376.464 2.556 20 0 GFADRO C[C@@H](c1ccc(-c2nn[nH]n2)cc1)[NH+]1CCC(C(=O)Nc2ccccc2O)CC1 ZINC000736198051 599307139 /nfs/dbraw/zinc/30/71/39/599307139.db2.gz QANRSMGTYREEEX-AWEZNQCLSA-N 1 0 392.463 2.984 20 0 GFADRO C[C@@H](c1ccc(-c2nn[nH]n2)cc1)[N@H+](C)C[C@H](c1cccs1)N1CCOCC1 ZINC000736195980 599316992 /nfs/dbraw/zinc/31/69/92/599316992.db2.gz IJUHFTLGSPTYAV-MAUKXSAKSA-N 1 0 398.536 2.995 20 0 GFADRO Cc1cccnc1[C@H]([NH2+][C@@H](C)C(=O)Nc1cccc(-c2nn[nH]n2)c1)C(C)C ZINC000737432557 599355551 /nfs/dbraw/zinc/35/55/51/599355551.db2.gz AQYZIIRZHJRBBB-WMLDXEAASA-N 1 0 379.468 2.884 20 0 GFADRO Cc1cccnc1[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc(-c2nn[nH]n2)c1)C(C)C ZINC000737432560 599355869 /nfs/dbraw/zinc/35/58/69/599355869.db2.gz AQYZIIRZHJRBBB-YOEHRIQHSA-N 1 0 379.468 2.884 20 0 GFADRO C[C@H](C[NH2+][C@H](C)c1ccc(-c2nn[nH]n2)cc1)N1CCN(c2ccccc2)CC1 ZINC000820418975 599366607 /nfs/dbraw/zinc/36/66/07/599366607.db2.gz CYECOYFDBMDTRH-QZTJIDSGSA-N 1 0 391.523 2.728 20 0 GFADRO COc1ccc([C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)o2)N2CCCCC2)cc1 ZINC000821778112 599393231 /nfs/dbraw/zinc/39/32/31/599393231.db2.gz UOIKFSDHZPMVPV-GOSISDBHSA-N 1 0 382.468 2.785 20 0 GFADRO Fc1cc(-c2nn[nH]n2)ccc1C[NH2+]Cc1ccc(Oc2cnccn2)cc1 ZINC000822743894 599394081 /nfs/dbraw/zinc/39/40/81/599394081.db2.gz IBMVHPFGCXRCPP-UHFFFAOYSA-N 1 0 377.383 2.878 20 0 GFADRO COc1ccc(C[NH2+]Cc2cccc(NC(=O)C3CCC3)c2)cc1-c1nn[nH]n1 ZINC000821818249 599399800 /nfs/dbraw/zinc/39/98/00/599399800.db2.gz MBOIUUUXUZPCIC-UHFFFAOYSA-N 1 0 392.463 2.904 20 0 GFADRO COc1ccc(C[NH2+]Cc2cccnc2OC2CCCC2)cc1-c1nn[nH]n1 ZINC000821817914 599404407 /nfs/dbraw/zinc/40/44/07/599404407.db2.gz BOTXWBWSOPLXSB-UHFFFAOYSA-N 1 0 380.452 2.882 20 0 GFADRO c1cc2c(s1)CC[N@@H+](CCNc1cc(-c3nn[nH]n3)c3ccccc3n1)C2 ZINC000738432966 599417601 /nfs/dbraw/zinc/41/76/01/599417601.db2.gz KZOUBKVFJTURCE-UHFFFAOYSA-N 1 0 377.477 2.947 20 0 GFADRO COc1ccc(C[NH2+]C[C@@H](c2c(F)cccc2F)N(C)C)cc1-c1nn[nH]n1 ZINC000821808163 599439414 /nfs/dbraw/zinc/43/94/14/599439414.db2.gz BDQITQXDDQYVOD-INIZCTEOSA-N 1 0 388.422 2.546 20 0 GFADRO C[C@H](NC(=O)NCCCCC[NH+]1CCCCC1)c1cccc(-c2nn[nH]n2)c1 ZINC000820366945 599439590 /nfs/dbraw/zinc/43/95/90/599439590.db2.gz QIMVLJQPJJUEKO-INIZCTEOSA-N 1 0 385.516 2.883 20 0 GFADRO COc1ccc(C[NH2+]C[C@@H](O)c2ccc(C(C)(C)C)cc2)cc1-c1nn[nH]n1 ZINC000821810088 599442624 /nfs/dbraw/zinc/44/26/24/599442624.db2.gz WJLKAEMTHJSGLI-GOSISDBHSA-N 1 0 381.480 2.996 20 0 GFADRO Cc1n[nH]cc1C[NH2+]Cc1cccc(OCc2ccccc2-c2nn[nH]n2)c1 ZINC000822419255 599446270 /nfs/dbraw/zinc/44/62/70/599446270.db2.gz OCCKRFNHAJTTHX-UHFFFAOYSA-N 1 0 375.436 2.767 20 0 GFADRO CO[C@H](C[NH2+]Cc1cnc2ccc(-c3nn[nH]n3)cn12)c1ccc(Cl)cc1 ZINC000821676988 599449023 /nfs/dbraw/zinc/44/90/23/599449023.db2.gz LNBCRMJGDBWJIF-MRXNPFEDSA-N 1 0 383.843 2.645 20 0 GFADRO COc1ccc(C[NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)cc1OC(F)F ZINC000821813937 599456076 /nfs/dbraw/zinc/45/60/76/599456076.db2.gz PXNDOILRAXAVDJ-UHFFFAOYSA-N 1 0 379.342 2.906 20 0 GFADRO C[C@H](NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cccc(-c2nn[nH]n2)c1 ZINC000820360342 599481345 /nfs/dbraw/zinc/48/13/45/599481345.db2.gz YFCYIKKHQZOSDL-HNAYVOBHSA-N 1 0 391.479 2.501 20 0 GFADRO CN(C)[C@@H](C[NH2+]Cc1cnc2ccc(-c3nn[nH]n3)cn12)c1ccccc1Cl ZINC000736757825 599482460 /nfs/dbraw/zinc/48/24/60/599482460.db2.gz FEMGHWCJQQBSCR-KRWDZBQOSA-N 1 0 396.886 2.560 20 0 GFADRO Cc1ccccc1OCC[NH+]1CCN(c2ccc(F)cc2-c2nn[nH]n2)CC1 ZINC000822366922 599545854 /nfs/dbraw/zinc/54/58/54/599545854.db2.gz WUPSDKFOECECGH-UHFFFAOYSA-N 1 0 382.443 2.515 20 0 GFADRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821197347 599546009 /nfs/dbraw/zinc/54/60/09/599546009.db2.gz JGASHNQRBGYUDY-GOSISDBHSA-N 1 0 390.491 2.851 20 0 GFADRO c1cc(CC[NH+]2CCC(Oc3ccc(-c4nn[nH]n4)cc3)CC2)cc2c1OCC2 ZINC000823766903 599573283 /nfs/dbraw/zinc/57/32/83/599573283.db2.gz LLOUDJZSBHSIFL-UHFFFAOYSA-N 1 0 391.475 2.888 20 0 GFADRO C[C@@H]1CC[N@H+](C[C@@H](O)COc2ccc(-c3nn[nH]n3)cc2)[C@H](c2ccco2)C1 ZINC000820723038 599594519 /nfs/dbraw/zinc/59/45/19/599594519.db2.gz UOADFSIROUWWIR-KYJSFNMBSA-N 1 0 383.452 2.673 20 0 GFADRO C[NH+](C)CCn1ccc2ccc(NC(=O)c3sccc3-c3nn[nH]n3)cc21 ZINC000821587129 599651307 /nfs/dbraw/zinc/65/13/07/599651307.db2.gz IAVRJJPTYYPHPM-UHFFFAOYSA-N 1 0 381.465 2.697 20 0 GFADRO C[C@H]1CC[C@H](C)[NH+]1CC(=O)Nc1ccc(Oc2cccc(-c3nn[nH]n3)c2)nc1 ZINC000820683922 599697123 /nfs/dbraw/zinc/69/71/23/599697123.db2.gz JNNDKVJYRJSLEA-KBPBESRZSA-N 1 0 393.451 2.865 20 0 GFADRO Cc1cscc1NC(=O)N(CC[NH+](C)C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000826321235 607396751 /nfs/dbraw/zinc/39/67/51/607396751.db2.gz WKROKLLXGOEJRG-UHFFFAOYSA-N 1 0 385.497 2.832 20 0 GFADRO CC(C)[NH2+]C1CCN(C(=O)Nc2ccc(OC(C)C)c(-c3nn[nH]n3)c2)CC1 ZINC000820137137 607429154 /nfs/dbraw/zinc/42/91/54/607429154.db2.gz GGDAKQBQJZDHTA-UHFFFAOYSA-N 1 0 387.488 2.648 20 0 GFADRO O=C(NC1CC[NH+](C2CCCC2)CC1)NC1(c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000826431379 607459813 /nfs/dbraw/zinc/45/98/13/607459813.db2.gz ZUCIGEGVLRLOAY-UHFFFAOYSA-N 1 0 395.511 2.562 20 0 GFADRO COC(=O)[C@@H]1CC12CC[NH+](CCCCC[NH+]1CCC3(C[C@H]3C(=O)[O-])CC1)CC2 ZINC000737580946 600714236 /nfs/dbraw/zinc/71/42/36/600714236.db2.gz YSMAQIDFHWIYRL-ROUUACIJSA-N 1 0 392.540 2.619 20 0 GFADRO COc1ccc(C[N@@H+]2CCCN(Cc3ccc(F)cc3)CC2)cc1-c1nn[nH]n1 ZINC000826194309 607480849 /nfs/dbraw/zinc/48/08/49/607480849.db2.gz IOKKYQMKPOQRJW-UHFFFAOYSA-N 1 0 396.470 2.722 20 0 GFADRO C[C@H](NC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)c1ccc(-c2nn[nH]n2)cc1 ZINC000820352558 607498067 /nfs/dbraw/zinc/49/80/67/607498067.db2.gz VWTWPVPUSAUSQS-UCLAIMLFSA-N 1 0 395.511 2.586 20 0 GFADRO COc1ccc(-c2nn[nH]n2)cc1CN1CC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC000826182245 607638880 /nfs/dbraw/zinc/63/88/80/607638880.db2.gz FJIGEQIFZRYKJZ-LJQANCHMSA-N 1 0 378.480 2.582 20 0 GFADRO CC[C@@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1c1ncccc1-c1nn[nH]n1 ZINC000825059577 607679505 /nfs/dbraw/zinc/67/95/05/607679505.db2.gz HEORDFHTKGPSRK-BEFAXECRSA-N 1 0 392.511 2.702 20 0 GFADRO Cc1cc(-c2nn[nH]n2)ccc1C(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000826244545 607682940 /nfs/dbraw/zinc/68/29/40/607682940.db2.gz WSHVDNHVZRNBII-UHFFFAOYSA-N 1 0 382.512 2.903 20 0 GFADRO Cc1cc(-c2nn[nH]n2)ccc1C(=O)N(Cc1ccco1)C1CC[NH+](C)CC1 ZINC000826244206 607689475 /nfs/dbraw/zinc/68/94/75/607689475.db2.gz KLGKAXWMIBZJTA-UHFFFAOYSA-N 1 0 380.452 2.505 20 0 GFADRO CC[NH+](CC)[C@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)c1ccccc1Cl ZINC000825406607 607689990 /nfs/dbraw/zinc/68/99/90/607689990.db2.gz QRDAMLAWEFFEPO-MRXNPFEDSA-N 1 0 387.875 2.661 20 0 GFADRO Cc1cc(-c2nn[nH]n2)ccc1C(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000826248145 607700520 /nfs/dbraw/zinc/70/05/20/607700520.db2.gz YGPDCSNFDUQOIO-QGZVFWFLSA-N 1 0 384.871 2.861 20 0 GFADRO Cc1cc(-c2nn[nH]n2)ccc1C(=O)N1CC[N@@H+](Cc2ccccc2)CC[C@H]1C ZINC000826245732 607700753 /nfs/dbraw/zinc/70/07/53/607700753.db2.gz GHTHVTKTBQUOHL-QGZVFWFLSA-N 1 0 390.491 2.912 20 0 GFADRO Cc1cc(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)cc(C)c1OCC(=O)[O-] ZINC000832882390 604685128 /nfs/dbraw/zinc/68/51/28/604685128.db2.gz FXFMTSFSSWVIFC-PMACEKPBSA-N 1 0 390.524 2.624 20 0 GFADRO O=C([O-])CCC[NH+]1CCC([NH2+]C[C@@H](O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000833773094 605222579 /nfs/dbraw/zinc/22/25/79/605222579.db2.gz IGXGUMLIPIPDFJ-MRXNPFEDSA-N 1 0 375.296 2.946 20 0 GFADRO C[C@@H]1C[N@@H+]([C@H](C(=O)[O-])c2ccccc2C(F)(F)F)CC[C@H]1N1CC[NH+](C)CC1 ZINC000833623102 605267513 /nfs/dbraw/zinc/26/75/13/605267513.db2.gz OQBIYKFARGAKJE-OLMNPRSZSA-N 1 0 399.457 2.789 20 0 GFADRO CCOC(=O)CC[C@@H]1CCC[N@H+](CCCOc2cccc(-c3nn[nH]n3)c2)C1 ZINC000825506189 607747758 /nfs/dbraw/zinc/74/77/58/607747758.db2.gz GXEQZDDVHHYSCM-INIZCTEOSA-N 1 0 387.484 2.691 20 0 GFADRO Cc1cc(-c2nn[nH]n2)ccc1C(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000826243936 607768158 /nfs/dbraw/zinc/76/81/58/607768158.db2.gz BFZPHUIGEXZKFW-UHFFFAOYSA-N 1 0 382.512 2.903 20 0 GFADRO CC(C)CC[NH+]1CCC(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCCN2C(=O)[O-])CC1 ZINC000833793828 605828975 /nfs/dbraw/zinc/82/89/75/605828975.db2.gz INFRORFBOUSZSJ-AQNXPRMDSA-N 1 0 381.561 2.882 20 0 GFADRO C[C@@H](CCNC(=O)CCc1ccc(-c2nn[nH]n2)cc1)[N@H+](C)Cc1ccccc1 ZINC000820241063 606103181 /nfs/dbraw/zinc/10/31/81/606103181.db2.gz DEQBPNPYGKBDFJ-KRWDZBQOSA-N 1 0 392.507 2.826 20 0 GFADRO Cn1cccc1[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1sccc1-c1nn[nH]n1 ZINC000822694027 606113838 /nfs/dbraw/zinc/11/38/38/606113838.db2.gz RTRUVSLNPLJEAW-HNNXBMFYSA-N 1 0 385.497 2.823 20 0 GFADRO CC(C)[C@H](CNc1ccc(C(F)(F)F)cc1-c1nn[nH]n1)[NH+]1CCOCC1 ZINC000820021386 606173810 /nfs/dbraw/zinc/17/38/10/606173810.db2.gz TUHJISSTDZOPHR-HNNXBMFYSA-N 1 0 384.406 2.654 20 0 GFADRO S=C(Nc1ccccc1-c1nn[nH]n1)NC1CCC([NH+]2CCCCC2)CC1 ZINC000823733393 606197888 /nfs/dbraw/zinc/19/78/88/606197888.db2.gz WJWLDXJGAPUCHK-UHFFFAOYSA-N 1 0 385.541 2.950 20 0 GFADRO Fc1ccc(N2CC[C@H](C[NH2+]Cc3cc(-c4nn[nH]n4)cs3)C2)cc1F ZINC000822778742 606214280 /nfs/dbraw/zinc/21/42/80/606214280.db2.gz NMJCBSRQSIULAU-LLVKDONJSA-N 1 0 376.436 2.823 20 0 GFADRO CC(C)(C)OC(=O)N1CC[C@H](CC[NH2+]Cc2cc(-c3nn[nH]n3)cs2)C1 ZINC000819933277 606217627 /nfs/dbraw/zinc/21/76/27/606217627.db2.gz MFOFSYIFAVAKIA-LBPRGKRZSA-N 1 0 378.502 2.665 20 0 GFADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NCc1cc(-c2nn[nH]n2)cs1 ZINC000821401047 606223589 /nfs/dbraw/zinc/22/35/89/606223589.db2.gz SSGSGOVLSDSZPW-UHFFFAOYSA-N 1 0 399.524 2.691 20 0 GFADRO CC[NH+](CC)[C@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)c1ccccc1Cl ZINC000821181399 606246506 /nfs/dbraw/zinc/24/65/06/606246506.db2.gz MQEHFGNEPBOASS-MRXNPFEDSA-N 1 0 387.875 2.661 20 0 GFADRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC000820649059 606257758 /nfs/dbraw/zinc/25/77/58/606257758.db2.gz IGDOINOFFFXIHI-HUUCEWRRSA-N 1 0 393.495 2.603 20 0 GFADRO CC(C)C[C@@H](CNC(=O)c1cc(-c2nn[nH]n2)cn1C)[NH2+][C@H](C)c1ccccc1 ZINC000820055943 606291201 /nfs/dbraw/zinc/29/12/01/606291201.db2.gz LZIBIMVRGHRTLM-QAPCUYQASA-N 1 0 395.511 2.701 20 0 GFADRO Cc1ccc([C@H]([NH2+]CCS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)C2CC2)cc1 ZINC000822231088 606308346 /nfs/dbraw/zinc/30/83/46/606308346.db2.gz ZIPPVFKNBYQBGK-IBGZPJMESA-N 1 0 397.504 2.690 20 0 GFADRO CC(C)(CC[NH2+]CCS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)c1ccccc1 ZINC000819976160 606308573 /nfs/dbraw/zinc/30/85/73/606308573.db2.gz OVJNMUGYUYRGIV-UHFFFAOYSA-N 1 0 399.520 2.598 20 0 GFADRO O=C1[C@@H]([N@@H+]2CC[C@@H](c3ccccc3)C2)CCN1c1sccc1-c1nn[nH]n1 ZINC000823504099 606318501 /nfs/dbraw/zinc/31/85/01/606318501.db2.gz MALNTSWKJBHBBM-ZBFHGGJFSA-N 1 0 380.477 2.523 20 0 GFADRO O=C1[C@@H]([N@@H+]2CCC[C@@]3(CC=CCC3)C2)CCN1c1sccc1-c1nn[nH]n1 ZINC000823503782 606323641 /nfs/dbraw/zinc/32/36/41/606323641.db2.gz ISSLATPUANUWHN-KXBFYZLASA-N 1 0 384.509 2.856 20 0 GFADRO CC1(C)C[N@H+](CCC(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)CCS1 ZINC000820602024 606335585 /nfs/dbraw/zinc/33/55/85/606335585.db2.gz YRYGZCHBPUKEBX-UHFFFAOYSA-N 1 0 380.905 2.676 20 0 GFADRO CC[NH+](CC)[C@@H](CNC(=O)Nc1ccc(F)cc1-c1nn[nH]n1)c1ccco1 ZINC000821180445 606346084 /nfs/dbraw/zinc/34/60/84/606346084.db2.gz CLRPFPABTRUGBK-HNNXBMFYSA-N 1 0 387.419 2.803 20 0 GFADRO Cc1ccc(C[NH+](C)C)cc1NC(=O)[C@@H](C)Oc1ccc(-c2nn[nH]n2)cc1 ZINC000822237015 606368150 /nfs/dbraw/zinc/36/81/50/606368150.db2.gz ASABJXWYOBYSOW-CQSZACIVSA-N 1 0 380.452 2.643 20 0 GFADRO CCC(CC)[N@H+](CCS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)CC(C)C ZINC000820897881 606376342 /nfs/dbraw/zinc/37/63/42/606376342.db2.gz PPSYPVIFHZXKOO-UHFFFAOYSA-N 1 0 379.530 2.787 20 0 GFADRO Cc1cc([C@@H](C)[NH2+][C@H]2CCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)ccc1F ZINC000822191724 606416300 /nfs/dbraw/zinc/41/63/00/606416300.db2.gz PHTVFXJNFOQUCX-ACJLOTCBSA-N 1 0 380.427 2.770 20 0 GFADRO CC[NH+]1CCN(Cc2ccc(CNc3ccc(-c4nn[nH]n4)cc3F)cc2)CC1 ZINC000821277779 606454939 /nfs/dbraw/zinc/45/49/39/606454939.db2.gz YIJKSHFHTIMCBD-UHFFFAOYSA-N 1 0 395.486 2.755 20 0 GFADRO C[NH+](C)CCN(Cc1cccs1)C(=S)Nc1ccccc1-c1nn[nH]n1 ZINC000821587095 606472717 /nfs/dbraw/zinc/47/27/17/606472717.db2.gz GLNHNNKEHIHIPV-UHFFFAOYSA-N 1 0 387.538 2.689 20 0 GFADRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000820759349 606483612 /nfs/dbraw/zinc/48/36/12/606483612.db2.gz JPCJTJFMUMJXJT-KXBFYZLASA-N 1 0 391.479 2.899 20 0 GFADRO FC(F)Oc1cc(-c2nn[nH]n2)ccc1CN1CCC[C@H]([NH+]2CCCC2)C1 ZINC000822732584 606492355 /nfs/dbraw/zinc/49/23/55/606492355.db2.gz LGKQZUQUYHQLCA-HNNXBMFYSA-N 1 0 378.427 2.528 20 0 GFADRO CC[NH+](CC)CCOc1ccccc1NC(=O)Cc1cccc(-c2nn[nH]n2)c1 ZINC000821198358 606500434 /nfs/dbraw/zinc/50/04/34/606500434.db2.gz SCUPDQGQUCHBHC-UHFFFAOYSA-N 1 0 394.479 2.769 20 0 GFADRO C[NH+](C)CCN(CCCc1ccccc1)C(=O)c1cc(-c2nn[nH]n2)cs1 ZINC000821586298 606538826 /nfs/dbraw/zinc/53/88/26/606538826.db2.gz ROQGAUMZZIEKKN-UHFFFAOYSA-N 1 0 384.509 2.565 20 0 GFADRO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)c2ccc(-c3nn[nH]n3)s2)CC1 ZINC000821614692 606547306 /nfs/dbraw/zinc/54/73/06/606547306.db2.gz QVQDWMPMWLIDGI-UHFFFAOYSA-N 1 0 396.520 2.912 20 0 GFADRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1sccc1-c1nn[nH]n1 ZINC000820759659 606583807 /nfs/dbraw/zinc/58/38/07/606583807.db2.gz MQHKRUHTZQJZNL-CZUORRHYSA-N 1 0 382.493 2.569 20 0 GFADRO Cn1c2ccccc2nc1[C@H]1CCC[N@@H+]1CCOc1cccc(-c2nn[nH]n2)c1 ZINC000822596883 606605475 /nfs/dbraw/zinc/60/54/75/606605475.db2.gz XRGKHSSSHYEHLP-LJQANCHMSA-N 1 0 389.463 2.969 20 0 GFADRO C[C@@H](CC[S@@](C)=O)[NH2+]Cc1cccc(OCc2cccc(-c3nn[nH]n3)c2)c1 ZINC000820249321 606707473 /nfs/dbraw/zinc/70/74/73/606707473.db2.gz USHWJVYHGAVOBA-OHZJNBGDSA-N 1 0 399.520 2.692 20 0 GFADRO CC(C)(C)OC(=O)Nc1ccc(C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)cn1 ZINC000819946542 606720583 /nfs/dbraw/zinc/72/05/83/606720583.db2.gz NKUQBEUVRDWKCY-UHFFFAOYSA-N 1 0 381.440 2.899 20 0 GFADRO CC(C)(C)OC(=O)Nc1ccc(C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)cn1 ZINC000819946885 606720676 /nfs/dbraw/zinc/72/06/76/606720676.db2.gz VAUHGXIIBQXSKW-UHFFFAOYSA-N 1 0 381.440 2.899 20 0 GFADRO COc1ccc(C[NH2+]Cc2ccnn2CCc2ccccc2)cc1-c1nn[nH]n1 ZINC000821818004 606726366 /nfs/dbraw/zinc/72/63/66/606726366.db2.gz HEBGMJIYNKZPTG-UHFFFAOYSA-N 1 0 389.463 2.604 20 0 GFADRO Cc1ccc(C[NH2+]Cc2cc(-c3nn[nH]n3)cs2)c(OC[C@H]2CCOC2)c1 ZINC000822238601 606727813 /nfs/dbraw/zinc/72/78/13/606727813.db2.gz NXLUBBLSHCGDJP-AWEZNQCLSA-N 1 0 385.493 2.942 20 0 GFADRO Fc1ccccc1[C@@H]([NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1)C1CCCC1 ZINC000822792536 606733972 /nfs/dbraw/zinc/73/39/72/606733972.db2.gz ZYHGNCZPDQXYBD-ACJLOTCBSA-N 1 0 396.474 2.765 20 0 GFADRO CC1(C)C[C@@H]([NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)c2ccccc2O1 ZINC000820590515 606741657 /nfs/dbraw/zinc/74/16/57/606741657.db2.gz VKJIDGGSPABJDT-MRXNPFEDSA-N 1 0 375.436 2.906 20 0 GFADRO C[NH+](C)C1(C(=O)Nc2cccc(OCc3cccc(-c4nn[nH]n4)c3)c2)CCC1 ZINC000821581953 606831679 /nfs/dbraw/zinc/83/16/79/606831679.db2.gz YXALRZZYXGGGNY-UHFFFAOYSA-N 1 0 392.463 2.869 20 0 GFADRO C[C@H](CNC(=O)Nc1ccc(-c2nn[nH]n2)c(C(F)(F)F)c1)C[NH+]1CCCC1 ZINC000820269479 606835461 /nfs/dbraw/zinc/83/54/61/606835461.db2.gz LHGXMLDJLOCWAA-LLVKDONJSA-N 1 0 397.405 2.739 20 0 GFADRO CC(C)CC1(CNC(=O)N(CC[NH+](C)C)Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000820062872 606835716 /nfs/dbraw/zinc/83/57/16/606835716.db2.gz RABUGBRTLSKZRX-UHFFFAOYSA-N 1 0 399.543 2.766 20 0 GFADRO c1ccc2sc(C3C[NH+](CCOc4ccc(-c5nn[nH]n5)cc4)C3)nc2c1 ZINC000823802045 606847540 /nfs/dbraw/zinc/84/75/40/606847540.db2.gz GBSAEKGTWILZQU-UHFFFAOYSA-N 1 0 378.461 2.955 20 0 GFADRO C[C@H]([NH2+]C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1)c1ccc(NC(=O)C2CC2)cc1 ZINC000820419555 606851919 /nfs/dbraw/zinc/85/19/19/606851919.db2.gz ICJMNIOFPXXYCT-ORAYPTAESA-N 1 0 392.463 2.599 20 0 GFADRO O[C@H](C[NH2+]C[C@@H]1CCCO[C@@H]1c1ccccc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823681639 606858581 /nfs/dbraw/zinc/85/85/81/606858581.db2.gz HWUJVCQQYPBKGR-XUVXKRRUSA-N 1 0 379.464 2.658 20 0 GFADRO c1cc(OCCCN2CC[NH+](CC3CCCCC3)CC2)cc(-c2nn[nH]n2)c1 ZINC000823762946 606890749 /nfs/dbraw/zinc/89/07/49/606890749.db2.gz XAVHLBUVXZGXDC-UHFFFAOYSA-N 1 0 384.528 2.834 20 0 GFADRO C[N@H+](CCCOC(=O)C=Cc1ccccc1-c1nn[nH]n1)Cc1ccccc1 ZINC000821600272 606897696 /nfs/dbraw/zinc/89/76/96/606897696.db2.gz FOGMEBAOJBZITO-OUKQBFOZSA-N 1 0 377.448 2.945 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)C=Cc2ccccc2-c2nn[nH]n2)C[N@@H+]1Cc1ccccc1 ZINC000820658885 606903896 /nfs/dbraw/zinc/90/38/96/606903896.db2.gz VDTJKUSDLHKRHD-DUSJZKHYSA-N 1 0 388.475 2.659 20 0 GFADRO O[C@@H](C[C@@H]1CCC[N@@H+]1CCCOc1cccc(-c2nn[nH]n2)c1)c1ccco1 ZINC000823673323 606912002 /nfs/dbraw/zinc/91/20/02/606912002.db2.gz KSNPRQIPIFIITA-WMZOPIPTSA-N 1 0 383.452 2.817 20 0 GFADRO CC(C)[C@@H]1c2ccccc2CC[N@H+]1CC(=O)NCc1cccc(-c2nn[nH]n2)c1 ZINC000820051919 606916645 /nfs/dbraw/zinc/91/66/45/606916645.db2.gz XUYYSJVDCALOQZ-OAQYLSRUSA-N 1 0 390.491 2.738 20 0 GFADRO CCC[N@H+](C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1)[C@@H](C)C(=O)Nc1ccccc1 ZINC000821094784 606922862 /nfs/dbraw/zinc/92/28/62/606922862.db2.gz QNVDUAYAZYWPRT-HNAYVOBHSA-N 1 0 394.479 2.639 20 0 GFADRO C[C@H](CC(=O)NCCc1ccccc1)[NH2+][C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000820226334 607014797 /nfs/dbraw/zinc/01/47/97/607014797.db2.gz UXNSYGFNGFPREN-HZPDHXFCSA-N 1 0 378.480 2.655 20 0 GFADRO COc1ccc2c(c1)[nH+]ccc2N1CCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000821849266 607024598 /nfs/dbraw/zinc/02/45/98/607024598.db2.gz BLCZIORFZYREKH-UHFFFAOYSA-N 1 0 387.447 2.750 20 0 GFADRO c1cc2nsnc2c(C[NH+]2CCC(Oc3cccc(-c4nn[nH]n4)c3)CC2)c1 ZINC000823762849 607069390 /nfs/dbraw/zinc/06/93/90/607069390.db2.gz UVBHZBRZHUITDT-UHFFFAOYSA-N 1 0 393.476 2.915 20 0 GFADRO C[C@@H]([NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1)c1cccc(NS(C)(=O)=O)c1 ZINC000820414296 607088141 /nfs/dbraw/zinc/08/81/41/607088141.db2.gz XOTRZSXLKPVTQQ-QWHCGFSZSA-N 1 0 386.481 2.650 20 0 GFADRO CCC1(CC)[C@H](OC)C[C@@H]1[N@H+](C)CCC(=O)Nc1sccc1-c1nn[nH]n1 ZINC000820957800 607105739 /nfs/dbraw/zinc/10/57/39/607105739.db2.gz QDXSPCSPAXWJRH-UONOGXRCSA-N 1 0 392.529 2.782 20 0 GFADRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=S)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)C1 ZINC000821623502 607171499 /nfs/dbraw/zinc/17/14/99/607171499.db2.gz MDRSOQNPDDUPMA-IAQYHMDHSA-N 1 0 391.932 2.633 20 0 GFADRO C[C@@H](C(=O)Nc1cccc(-c2nn[nH]n2)c1)[N@@H+]1CCC[C@H](Nc2ccccc2)C1 ZINC000819877089 607177289 /nfs/dbraw/zinc/17/72/89/607177289.db2.gz OHJUSZQCLGZUQB-KXBFYZLASA-N 1 0 391.479 2.770 20 0 GFADRO CC[C@H](CSc1ccccc1)[NH2+][C@@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000825128264 607784666 /nfs/dbraw/zinc/78/46/66/607784666.db2.gz SIDUWKAKXGIMOH-NVXWUHKLSA-N 1 0 382.493 2.554 20 0 GFADRO COc1ccc(C[NH2+]C(C)(C)CN(C)Cc2ccccc2)cc1-c1nn[nH]n1 ZINC000826202032 607820716 /nfs/dbraw/zinc/82/07/16/607820716.db2.gz MKKGIQPBDKEZBX-UHFFFAOYSA-N 1 0 380.496 2.876 20 0 GFADRO CCC[C@@H](C)[C@@H]1CCC[N@@H+]1CCS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000825234222 607829729 /nfs/dbraw/zinc/82/97/29/607829729.db2.gz XOEFVTLOBBKKGB-PBHICJAKSA-N 1 0 377.514 2.541 20 0 GFADRO O=S(=O)(CC[NH2+][C@@H](c1ccccc1)C1CCC1)c1cccc(-c2nn[nH]n2)c1 ZINC000826485084 607830457 /nfs/dbraw/zinc/83/04/57/607830457.db2.gz BKOYLRILAABVHE-IBGZPJMESA-N 1 0 397.504 2.771 20 0 GFADRO CCC[NH+]1CCC(NC(=O)c2c(Cl)cc(-c3nn[nH]n3)cc2Cl)CC1 ZINC000825327855 607833007 /nfs/dbraw/zinc/83/30/07/607833007.db2.gz LZTVYOMJUWCLFK-UHFFFAOYSA-N 1 0 383.283 2.778 20 0 GFADRO OC[C@@H](C1CC1)[N@H+](CCOc1ccc(-c2nn[nH]n2)cc1)Cc1ccccc1 ZINC000826507965 607858728 /nfs/dbraw/zinc/85/87/28/607858728.db2.gz ZRMDVDMBWDTQRI-FQEVSTJZSA-N 1 0 379.464 2.519 20 0 GFADRO CC[C@@H]([NH2+]Cc1cc(-c2nn[nH]n2)cs1)[C@@H](c1ccc(C)cc1)n1cncn1 ZINC000825141047 607911431 /nfs/dbraw/zinc/91/14/31/607911431.db2.gz MXTQCOZKJJBUGR-QZTJIDSGSA-N 1 0 394.508 2.986 20 0 GFADRO C[C@@H](CO)CCC[NH2+]Cc1cccc(OCc2cccc(-c3nn[nH]n3)c2)c1 ZINC000824436864 607977082 /nfs/dbraw/zinc/97/70/82/607977082.db2.gz WQOIJGPRRDTDJK-MRXNPFEDSA-N 1 0 381.480 2.944 20 0 GFADRO CCC[N@H+](C)C[C@@H]1CCN(c2ccc(-c3nn[nH]n3)cc2Br)C1 ZINC000825301824 607990879 /nfs/dbraw/zinc/99/08/79/607990879.db2.gz PHMCSVQYMUNNBL-LBPRGKRZSA-N 1 0 379.306 2.797 20 0 GFADRO Cc1cc(C[NH+](C)C)cc(NC(=O)[C@H](C)Oc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000826266537 608000214 /nfs/dbraw/zinc/00/02/14/608000214.db2.gz RVHFWJTWUZHMDZ-AWEZNQCLSA-N 1 0 380.452 2.643 20 0 GFADRO C[C@H](c1ccc(C(F)(F)F)cc1)[N@H+](C)CCCc1[nH]nc(N)c1-c1nn[nH]n1 ZINC000824761847 608034158 /nfs/dbraw/zinc/03/41/58/608034158.db2.gz CVUAUHDRGZPTOG-SNVBAGLBSA-N 1 0 394.405 2.816 20 0 GFADRO COc1ccc([C@](C)(O)[C@H]2CCC[N@@H+]2Cc2ccc(F)cc2-c2nn[nH]n2)cc1 ZINC000826188471 608064328 /nfs/dbraw/zinc/06/43/28/608064328.db2.gz XZRDUVZVYDHEMC-CTNGQTDRSA-N 1 0 397.454 2.887 20 0 GFADRO COc1ccc([C@](C)(O)[C@H]2CCC[N@@H+]2Cc2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000826188039 608064366 /nfs/dbraw/zinc/06/43/66/608064366.db2.gz MCCVEKLHPNNSPK-CTNGQTDRSA-N 1 0 379.464 2.747 20 0 GFADRO COc1ccc(C[C@@H](C)C[N@H+](C)CC(=O)Nc2cccc(-c3nn[nH]n3)c2)cc1 ZINC000826191889 608065708 /nfs/dbraw/zinc/06/57/08/608065708.db2.gz SNXFPLRUULSOGS-OAHLLOKOSA-N 1 0 394.479 2.624 20 0 GFADRO CC(C)C[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)Cn1cnc(-c2ccccn2)n1 ZINC000824262083 608096761 /nfs/dbraw/zinc/09/67/61/608096761.db2.gz WPBHJTFBVJDERR-UHFFFAOYSA-N 1 0 389.467 2.636 20 0 GFADRO CN1CC[C@H]([NH2+]Cc2cc(-c3nn[nH]n3)cs2)[C@H]1c1ccc(F)c(F)c1 ZINC000826028957 608113772 /nfs/dbraw/zinc/11/37/72/608113772.db2.gz LDBJSWDWAFNIIZ-JKSUJKDBSA-N 1 0 376.436 2.741 20 0 GFADRO Cc1ccc([C@@H]2CC[N@H+](CCC(=O)Nc3ccccc3-c3nn[nH]n3)C2)cc1 ZINC000826286293 608127539 /nfs/dbraw/zinc/12/75/39/608127539.db2.gz XNTXCHWXXMBMBR-QGZVFWFLSA-N 1 0 376.464 2.993 20 0 GFADRO Fc1ccc(-c2noc(CCC[NH2+]Cc3cccc(-c4nn[nH]n4)c3)n2)cc1 ZINC000826373647 608134781 /nfs/dbraw/zinc/13/47/81/608134781.db2.gz UVWQNLWJXIDWSI-UHFFFAOYSA-N 1 0 379.399 2.778 20 0 GFADRO O=C(N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12)c1ccc(-c2nn[nH]n2)cc1 ZINC000826429571 608135019 /nfs/dbraw/zinc/13/50/19/608135019.db2.gz HJNRPUVAUAOGIJ-HSALFYBXSA-N 1 0 388.475 2.507 20 0 GFADRO c1cc(C[NH2+]CC[C@@H]2CCOC2)cc(OCc2cccc(-c3nn[nH]n3)c2)c1 ZINC000826515734 608136049 /nfs/dbraw/zinc/13/60/49/608136049.db2.gz JEXDBCXCOLTBNI-MRXNPFEDSA-N 1 0 379.464 2.962 20 0 GFADRO O=C(C=Cc1ccccc1-c1nn[nH]n1)OCC1CC[NH+](Cc2ccco2)CC1 ZINC000826402316 608276282 /nfs/dbraw/zinc/27/62/82/608276282.db2.gz QVNQFORVWIYCRA-BQYQJAHWSA-N 1 0 393.447 2.928 20 0 GFADRO C[C@@H]([NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)c1ccc(N2CCCC2=O)cc1 ZINC000824605478 608282053 /nfs/dbraw/zinc/28/20/53/608282053.db2.gz HZOFPCDZWJQOOW-CYBMUJFWSA-N 1 0 380.427 2.983 20 0 GFADRO COCC[C@H](Cc1cccc(F)c1)[NH2+]Cc1ccc(OC)c(-c2nn[nH]n2)c1 ZINC000826154750 608285828 /nfs/dbraw/zinc/28/58/28/608285828.db2.gz XBLNFWZMSJHUKR-QGZVFWFLSA-N 1 0 385.443 2.752 20 0 GFADRO COc1ccc([C@@H](C)[NH2+]Cc2ccc(OC)c(-c3nn[nH]n3)c2)cc1NC(C)=O ZINC000826188010 608286438 /nfs/dbraw/zinc/28/64/38/608286438.db2.gz KWQLHFNSVNFKHS-GFCCVEGCSA-N 1 0 396.451 2.693 20 0 GFADRO Cc1ccc(-c2nn[nH]n2)c(NCC2([NH2+][C@@H](C)c3ccccc3)CCOCC2)n1 ZINC000826275987 608288354 /nfs/dbraw/zinc/28/83/54/608288354.db2.gz QRNBCJZBTVTSSQ-INIZCTEOSA-N 1 0 393.495 2.882 20 0 GFADRO CC[N@@H+]1C[C@H](C)N(C(=O)Nc2ccc(-c3nn[nH]n3)c(C(F)(F)F)c2)C[C@H]1C ZINC000825443772 608303835 /nfs/dbraw/zinc/30/38/35/608303835.db2.gz FXRDRFHHFORCRH-MNOVXSKESA-N 1 0 397.405 2.832 20 0 GFADRO Cc1nn(-c2ccccc2)c(C[NH+]2CCC(OCC(C)C)CC2)c1-c1nn[nH]n1 ZINC000826332053 608310802 /nfs/dbraw/zinc/31/08/02/608310802.db2.gz IHXUIPNSVZHEIS-UHFFFAOYSA-N 1 0 395.511 2.998 20 0 GFADRO Cc1nn(-c2ccccc2)c(C[N@@H+]2CC[C@@H](c3ccco3)C2)c1-c1nn[nH]n1 ZINC000826332022 608312584 /nfs/dbraw/zinc/31/25/84/608312584.db2.gz HJLIEQUTILBDLC-OAHLLOKOSA-N 1 0 375.436 2.943 20 0 GFADRO CC[C@H](CSC)[N@H+](C)CCC(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2 ZINC000825127906 608325568 /nfs/dbraw/zinc/32/55/68/608325568.db2.gz PPRHYLRLIYSROE-LLVKDONJSA-N 1 0 394.570 2.819 20 0 GFADRO COc1cc(-c2nn[nH]n2)ccc1CN1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000826169518 608358498 /nfs/dbraw/zinc/35/84/98/608358498.db2.gz VXRSCKMJIXGJSE-QGZVFWFLSA-N 1 0 384.528 2.963 20 0 GFADRO COc1cc(-c2nn[nH]n2)ccc1C[NH+]1CCC(O)(c2cccc(C)c2C)CC1 ZINC000826168681 608367802 /nfs/dbraw/zinc/36/78/02/608367802.db2.gz VCULFGMQIGZOQT-UHFFFAOYSA-N 1 0 393.491 2.976 20 0 GFADRO COc1cc(-c2nn[nH]n2)ccc1CN1CC[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC000826168708 608368873 /nfs/dbraw/zinc/36/88/73/608368873.db2.gz VYOAJNDSKOSBPS-IBGZPJMESA-N 1 0 378.480 2.582 20 0 GFADRO COc1cc(-c2nn[nH]n2)ccc1OCC[NH2+][C@H](C)c1cc(F)ccc1F ZINC000826176430 608439443 /nfs/dbraw/zinc/43/94/43/608439443.db2.gz PGDSWEFGEYPGNJ-LLVKDONJSA-N 1 0 375.379 2.883 20 0 GFADRO C[C@@H]([NH2+]CC(=O)Nc1sccc1-c1nn[nH]n1)c1cccc(OC(F)F)c1 ZINC000824561990 608443979 /nfs/dbraw/zinc/44/39/79/608443979.db2.gz AHXPDCPOWZRQSO-SECBINFHSA-N 1 0 394.407 2.819 20 0 GFADRO CCN(Cc1ccccc1)C(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000825435174 608461503 /nfs/dbraw/zinc/46/15/03/608461503.db2.gz OIBVHDJLMKMGNR-HOTGVXAUSA-N 1 0 378.480 2.955 20 0 GFADRO COc1ccccc1[C@@H](C)N(C)C(=O)C[NH2+][C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000826219110 608466029 /nfs/dbraw/zinc/46/60/29/608466029.db2.gz TUMVUIFVBWWWBW-LSDHHAIUSA-N 1 0 394.479 2.746 20 0 GFADRO C[C@@H]([NH2+]C[C@H](O)COc1ccc(-c2nn[nH]n2)cc1)c1ccc(F)c(Cl)c1 ZINC000824572748 608471289 /nfs/dbraw/zinc/47/12/89/608471289.db2.gz XKMZKPSMDKEGKA-RISCZKNCSA-N 1 0 391.834 2.750 20 0 GFADRO C[C@H]([NH2+]CC(=O)NCCCSc1ccccc1)c1cccc(-c2nn[nH]n2)c1 ZINC000824563429 608481751 /nfs/dbraw/zinc/48/17/51/608481751.db2.gz OFAIRLWCDPCZKA-HNNXBMFYSA-N 1 0 396.520 2.816 20 0 GFADRO C[C@@H]([NH2+]C[C@H](O)COCc1ccc(Cl)cc1)c1cccc(-c2nn[nH]n2)c1 ZINC000824570559 608484803 /nfs/dbraw/zinc/48/48/03/608484803.db2.gz NEUTYKDMIQUVFJ-ACJLOTCBSA-N 1 0 387.871 2.748 20 0 GFADRO Cc1nccn1-c1ccc(C[NH2+][C@@H]2CCCc3cc(-c4nn[nH]n4)ccc32)cn1 ZINC000826330834 608502480 /nfs/dbraw/zinc/50/24/80/608502480.db2.gz JXNGLAZFDDDQDG-LJQANCHMSA-N 1 0 386.463 2.923 20 0 GFADRO COc1cccc2c1OC[C@H]([NH2+][C@H]1CCCc3cc(-c4nn[nH]n4)ccc31)C2 ZINC000826217780 608507648 /nfs/dbraw/zinc/50/76/48/608507648.db2.gz BVJNBHXRTUSQSD-AEFFLSMTSA-N 1 0 377.448 2.846 20 0 GFADRO CC[C@@H]1CN(C(=O)C2CC2)CC[C@H]1[NH2+][C@@H]1CCCc2cc(-c3nn[nH]n3)ccc21 ZINC000825201182 608514721 /nfs/dbraw/zinc/51/47/21/608514721.db2.gz FGOLETFCJIJAMB-JSNMRZPZSA-N 1 0 394.523 2.871 20 0 GFADRO CC(C)c1nc2n(n1)C[C@@H]([NH2+][C@H]1CCCc3cc(-c4nn[nH]n4)ccc31)CC2 ZINC000824364993 608519505 /nfs/dbraw/zinc/51/95/05/608519505.db2.gz XSDXZBMXABICKS-RDJZCZTQSA-N 1 0 378.484 2.564 20 0 GFADRO COc1cccc(-c2n[nH]cc2C[N@H+](C)Cc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000826213872 608526503 /nfs/dbraw/zinc/52/65/03/608526503.db2.gz PQVLVHFGDKQMSB-UHFFFAOYSA-N 1 0 375.436 2.897 20 0 GFADRO C[C@H]([NH2+]CCOc1cccc(-c2nn[nH]n2)c1)c1cccc(-n2cccn2)c1 ZINC000824598508 608527648 /nfs/dbraw/zinc/52/76/48/608527648.db2.gz FIFBIECYZAEJSA-HNNXBMFYSA-N 1 0 375.436 2.782 20 0 GFADRO C[C@H]([NH2+]CCOc1ccccc1-c1nn[nH]n1)c1cccc(-n2cccn2)c1 ZINC000824599303 608527927 /nfs/dbraw/zinc/52/79/27/608527927.db2.gz ODMXUTBDPXCKNJ-HNNXBMFYSA-N 1 0 375.436 2.782 20 0 GFADRO COc1cccc(F)c1[C@@H](C)[NH2+]CCC(=O)Nc1sccc1-c1nn[nH]n1 ZINC000826216697 608538909 /nfs/dbraw/zinc/53/89/09/608538909.db2.gz KCDORFPPGCKURK-SNVBAGLBSA-N 1 0 390.444 2.755 20 0 GFADRO c1nc2ccc(-c3nn[nH]n3)cn2c1C[NH+]1CCC(Oc2ccccc2)CC1 ZINC000826522741 608560780 /nfs/dbraw/zinc/56/07/80/608560780.db2.gz MNJRISACNCOHGF-UHFFFAOYSA-N 1 0 375.436 2.558 20 0 GFADRO CN1C(=O)C[C@H]([NH2+]Cc2cc(-c3nn[nH]n3)cs2)[C@@H]1c1ccc(Cl)cc1 ZINC000826011010 608568740 /nfs/dbraw/zinc/56/87/40/608568740.db2.gz UDQCIVWMWBCGDI-HOCLYGCPSA-N 1 0 388.884 2.643 20 0 GFADRO C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)c1cccc(Nc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000824978763 608595052 /nfs/dbraw/zinc/59/50/52/608595052.db2.gz XBMQHDMHGHSHNI-HUUCEWRRSA-N 1 0 391.479 2.775 20 0 GFADRO Fc1cc(-c2nn[nH]n2)ccc1N1CC[NH+](C[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000826372351 608640838 /nfs/dbraw/zinc/64/08/38/608640838.db2.gz SHIQYCQQVKLZNC-ROUUACIJSA-N 1 0 378.455 2.932 20 0 GFADRO Fc1c(C[N@@H+]2CCC[C@@H](c3nnc4n3CCCCC4)C2)cccc1-c1nn[nH]n1 ZINC000826370637 608646263 /nfs/dbraw/zinc/64/62/63/608646263.db2.gz BMLCYEYLLOEPBB-OAHLLOKOSA-N 1 0 396.474 2.703 20 0 GFADRO C[N@@H+](Cc1cccc(OCc2cccc(-c3nn[nH]n3)c2)c1)C[C@@H]1CCOC1 ZINC000825981904 608743954 /nfs/dbraw/zinc/74/39/54/608743954.db2.gz ZTWFDEMQGVVZGX-SFHVURJKSA-N 1 0 379.464 2.914 20 0 GFADRO c1ccc(C[N@@H+]2CCC3(C2)CCN(c2cnccc2-c2nn[nH]n2)CC3)cc1 ZINC000826521225 608797583 /nfs/dbraw/zinc/79/75/83/608797583.db2.gz FFBDEEKRMSRCDG-UHFFFAOYSA-N 1 0 375.480 2.754 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@@H+]1Cc1ccc(-c2nn[nH]n2)s1 ZINC000824892353 608846287 /nfs/dbraw/zinc/84/62/87/608846287.db2.gz HDMNNSKGZXYPHM-VXGBXAGGSA-N 1 0 378.502 2.806 20 0 GFADRO C[C@@H]([NH2+][C@@H](C)c1ccc(S(C)(=O)=O)cc1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824533103 609136475 /nfs/dbraw/zinc/13/64/75/609136475.db2.gz YZOJPTGBYHBPRR-NWDGAFQWSA-N 1 0 389.456 2.821 20 0 GFADRO CCc1cc(N2CCC([NH2+][C@H](C)c3ccc(-c4nn[nH]n4)c(F)c3)CC2)ncn1 ZINC000825700545 609148403 /nfs/dbraw/zinc/14/84/03/609148403.db2.gz JVPGNUGNMYQTJU-CYBMUJFWSA-N 1 0 396.474 2.678 20 0 GFADRO CCOc1cccc(NC2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)n1 ZINC000825653343 609245538 /nfs/dbraw/zinc/24/55/38/609245538.db2.gz BBGFWKIZQOFEPS-UHFFFAOYSA-N 1 0 379.468 2.737 20 0 GFADRO C[C@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)cn1)c1cccc(-c2nn[nH]n2)c1 ZINC000824655032 609251618 /nfs/dbraw/zinc/25/16/18/609251618.db2.gz AUWYTVVIZDXCIC-KSSFIOAISA-N 1 0 378.484 2.575 20 0 GFADRO O=C(CC[NH+]1CCC(Oc2ccc(-c3nn[nH]n3)cc2)CC1)c1ccccc1 ZINC000826407332 609269339 /nfs/dbraw/zinc/26/93/39/609269339.db2.gz JNJSQFJYKHLGSZ-UHFFFAOYSA-N 1 0 377.448 2.983 20 0 GFADRO C[N@H+](CCC(=O)Nc1sccc1-c1nn[nH]n1)Cc1cc(F)c(F)c(F)c1 ZINC000825914476 609283102 /nfs/dbraw/zinc/28/31/02/609283102.db2.gz GWJINSCXEWOMNF-UHFFFAOYSA-N 1 0 396.398 2.806 20 0 GFADRO CCc1nnc(N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c(-c2nn[nH]n2)c1CC ZINC000825768077 609315194 /nfs/dbraw/zinc/31/51/94/609315194.db2.gz ZCIQYQKUPVMZHY-ZIAGYGMSSA-N 1 0 384.532 2.846 20 0 GFADRO C[C@@H](NC(=O)N(C)Cc1cccc(-c2nn[nH]n2)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000824492053 609317392 /nfs/dbraw/zinc/31/73/92/609317392.db2.gz XETPNJRXMKLBDS-CRAIPNDOSA-N 1 0 397.527 2.661 20 0 GFADRO CCO[C@H]1C[C@@H]([NH2+]Cc2cn(C)nc2-c2ccc(-c3nn[nH]n3)cc2)C12CCC2 ZINC000825583200 609339316 /nfs/dbraw/zinc/33/93/16/609339316.db2.gz RYFSBJDLJRLQPH-MSOLQXFVSA-N 1 0 393.495 2.705 20 0 GFADRO Cc1cc2c(cc1NC1CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC1)OCO2 ZINC000826272913 609351778 /nfs/dbraw/zinc/35/17/78/609351778.db2.gz HEHOZCHSRYSGQT-UHFFFAOYSA-N 1 0 392.463 2.980 20 0 GFADRO Brc1cc(-c2nn[nH]n2)ccc1C[N@@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000823820358 609357365 /nfs/dbraw/zinc/35/73/65/609357365.db2.gz CVKQLFUHNCPARY-ZDUSSCGKSA-N 1 0 388.273 2.732 20 0 GFADRO Brc1cc(-c2nn[nH]n2)ccc1CN1CCC[C@@H]1C[NH+]1CCCC1 ZINC000823821076 609358544 /nfs/dbraw/zinc/35/85/44/609358544.db2.gz OMXUNHDXOBOKSZ-OAHLLOKOSA-N 1 0 391.317 2.689 20 0 GFADRO Brc1cc(-c2nn[nH]n2)ccc1CN1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000823821546 609361030 /nfs/dbraw/zinc/36/10/30/609361030.db2.gz WOBWCAQBXIUYKM-ZDUSSCGKSA-N 1 0 391.317 2.547 20 0 GFADRO C[C@H]1C[N@@H+]2CCCC[C@H]2CN1Cc1ccc(-c2nn[nH]n2)cc1Br ZINC000825000152 609361412 /nfs/dbraw/zinc/36/14/12/609361412.db2.gz NDYAWOIPYZKMBD-WFASDCNBSA-N 1 0 391.317 2.688 20 0 GFADRO C[N@@H+]1CCC[C@@H]1[C@H]1CCCN1Cc1ccc(-c2nn[nH]n2)cc1Br ZINC000826033347 609362602 /nfs/dbraw/zinc/36/26/02/609362602.db2.gz ASJTUNYXNSEGRV-HZPDHXFCSA-N 1 0 391.317 2.688 20 0 GFADRO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ccc(-c2nn[nH]n2)cc1Br ZINC000825218186 609366182 /nfs/dbraw/zinc/36/61/82/609366182.db2.gz CFRDGSWDFWTVQL-GJZGRUSLSA-N 1 0 391.317 2.688 20 0 GFADRO C[NH+](C)CC(C)(C)CNC(=O)c1ccccc1Oc1ccccc1-c1nn[nH]n1 ZINC000825855909 609367041 /nfs/dbraw/zinc/36/70/41/609367041.db2.gz LWAGKBUHVDHXSR-UHFFFAOYSA-N 1 0 394.479 2.977 20 0 GFADRO NC(=O)[C@@H]([NH2+]C1CCC(c2ccc(F)cc2)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000826388853 609374764 /nfs/dbraw/zinc/37/47/64/609374764.db2.gz KMDDIZKBUOJVCZ-FPCQFERPSA-N 1 0 394.454 2.848 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)c1ccccc1Oc1ccccc1-c1nn[nH]n1)C1CC1 ZINC000825849328 609375290 /nfs/dbraw/zinc/37/52/90/609375290.db2.gz KEGVRTMFKXPBMZ-QGZVFWFLSA-N 1 0 392.463 2.729 20 0 GFADRO O=C(N[C@H]1CC[N@@H+](C2CC2)C1)c1ccccc1Oc1ccccc1-c1nn[nH]n1 ZINC000826431210 609378010 /nfs/dbraw/zinc/37/80/10/609378010.db2.gz VKZRLNZJTPGCFV-AWEZNQCLSA-N 1 0 390.447 2.626 20 0 GFADRO O=C1[C@@H]([NH2+]Cc2nccc3ccccc32)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476991 609415833 /nfs/dbraw/zinc/41/58/33/609415833.db2.gz SVQVAPDMBKXIIX-IBGZPJMESA-N 1 0 399.458 2.700 20 0 GFADRO C[C@@H](NC(=S)NCC[NH+](C)C)c1ccc(-c2cccc(-c3nn[nH]n3)c2)cc1 ZINC000824523303 609443679 /nfs/dbraw/zinc/44/36/79/609443679.db2.gz ZILGOGQPDMNYMQ-CQSZACIVSA-N 1 0 395.536 2.620 20 0 GFADRO Clc1ccc(-c2nn[nH]n2)c(N2CCC(CCC[NH+]3CCOCC3)CC2)c1 ZINC000826351385 609558793 /nfs/dbraw/zinc/55/87/93/609558793.db2.gz KOTPFLAVZKRONU-UHFFFAOYSA-N 1 0 390.919 2.849 20 0 GFADRO O=C(Nc1cc2ccc(Br)cn2n1)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000482170476 650661359 /nfs/dbraw/zinc/66/13/59/650661359.db2.gz QUIOFFBSFWSHQD-KGLIPLIRSA-N 1 0 378.274 2.845 20 0 GFADRO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CCNc1cnccn1 ZINC000532247082 650746956 /nfs/dbraw/zinc/74/69/56/650746956.db2.gz QLCWCWJXQSEOCT-GFCCVEGCSA-N 1 0 378.274 2.658 20 0 GFADRO COC1([C@@H](C)[NH2+][C@H](C)c2ccc(S(=O)(=O)C(F)F)cc2)CCOCC1 ZINC000817586887 660201718 /nfs/dbraw/zinc/20/17/18/660201718.db2.gz CJORZAXJODTXJC-CHWSQXEVSA-N 1 0 377.453 2.918 20 0 GFADRO O=C(NC[C@@H](O)c1cc(Cl)cc(Cl)c1)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000817945328 660212201 /nfs/dbraw/zinc/21/22/01/660212201.db2.gz ZPYXZIDEBSOTDD-JKSUJKDBSA-N 1 0 383.279 2.578 20 0 GFADRO CC(C)(Sc1ccc(Br)cc1)C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000818012360 660213712 /nfs/dbraw/zinc/21/37/12/660213712.db2.gz MYGFHKBKMZZXNY-CYBMUJFWSA-N 1 0 387.343 2.896 20 0 GFADRO COc1ccc(S(=O)(=O)C(F)(F)F)cc1NC(=O)[C@H](C(C)C)[C@H](C)[NH3+] ZINC000818502403 660227408 /nfs/dbraw/zinc/22/74/08/660227408.db2.gz KESKOXDZXJUEGR-TVQRCGJNSA-N 1 0 382.404 2.547 20 0 GFADRO CN(C(=O)[C@@H]1CSCN1C(=O)c1ccc(Cl)cc1)C1CCC([NH3+])CC1 ZINC000818528802 660228244 /nfs/dbraw/zinc/22/82/44/660228244.db2.gz JGJAXINNOFIIFK-GPANFISMSA-N 1 0 381.929 2.583 20 0 GFADRO CC(C)c1ccc2c(Cl)c(C(=O)NCC(=O)N3CC[NH2+]CC3)sc2c1 ZINC000818562231 660228771 /nfs/dbraw/zinc/22/87/71/660228771.db2.gz XXPAAFZBHSVAEE-UHFFFAOYSA-N 1 0 379.913 2.840 20 0 GFADRO COc1cc(/C=C\C(=O)N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)cc(Br)c1O ZINC000818615702 660230321 /nfs/dbraw/zinc/23/03/21/660230321.db2.gz ULNLGYKFJQSDLN-DLXAAPBESA-N 1 0 383.286 2.728 20 0 GFADRO O[C@H](C[NH2+]C[C@H]1CCN(CC(F)(F)F)C1)c1cccc(Br)c1 ZINC000818972284 660239272 /nfs/dbraw/zinc/23/92/72/660239272.db2.gz INCFHWZNOQSDLL-BXUZGUMPSA-N 1 0 381.236 2.956 20 0 GFADRO CC(C)(C)OC(=O)NC[C@@](C)(O)C[NH2+]CCc1ccc(Br)s1 ZINC000818945539 660236273 /nfs/dbraw/zinc/23/62/73/660236273.db2.gz JIMQCFNZCAIKQE-HNNXBMFYSA-N 1 0 393.347 2.918 20 0 GFADRO O[C@H](C[NH2+]Cc1ccnc(N2CCOCC2)c1)c1ccccc1Br ZINC000818951723 660237197 /nfs/dbraw/zinc/23/71/97/660237197.db2.gz ODFCDXYUICMCEQ-QGZVFWFLSA-N 1 0 392.297 2.504 20 0 GFADRO O=C1[C@H]([NH2+]C[C@H](O)c2ccc(Br)cc2)CCN1Cc1ccccc1 ZINC000818984082 660241330 /nfs/dbraw/zinc/24/13/30/660241330.db2.gz WBOHEBWBUYMLSL-MSOLQXFVSA-N 1 0 389.293 2.873 20 0 GFADRO CS(=O)(=O)Cc1cccc(C[NH2+]C[C@@H](O)c2ccccc2Br)c1 ZINC000818990093 660241990 /nfs/dbraw/zinc/24/19/90/660241990.db2.gz FQUFAIOPVGRZQV-QGZVFWFLSA-N 1 0 398.322 2.817 20 0 GFADRO CS(=O)(=O)CC[NH2+]Cc1ccc(OCCOc2ccc(Cl)cc2)cc1 ZINC000819012818 660243267 /nfs/dbraw/zinc/24/32/67/660243267.db2.gz PWRUDZAIKHRTJJ-UHFFFAOYSA-N 1 0 383.897 2.932 20 0 GFADRO Cc1ccc(C(=O)NCC[NH2+]C[C@H](O)c2ccccc2Br)cc1 ZINC000819046008 660244339 /nfs/dbraw/zinc/24/43/39/660244339.db2.gz GNIWBAXLDFVSAH-KRWDZBQOSA-N 1 0 377.282 2.811 20 0 GFADRO CCO[C@@H]1C[C@H]([NH2+]C[C@@](C)(O)c2ccc(Br)cc2F)[C@@H]1OC ZINC000819226860 660250968 /nfs/dbraw/zinc/25/09/68/660250968.db2.gz KWHNWRINUFQLFX-XUWVNRHRSA-N 1 0 376.266 2.578 20 0 GFADRO CS(=O)(=O)Cc1ccccc1C[NH2+]C[C@@H](O)c1ccccc1Br ZINC000819133914 660247568 /nfs/dbraw/zinc/24/75/68/660247568.db2.gz CJJNPXGAAOTZGU-QGZVFWFLSA-N 1 0 398.322 2.817 20 0 GFADRO O=S1(=O)CCc2cc(C[NH2+]C[C@@H](O)c3ccc(Br)cc3)ccc21 ZINC000819152019 660248208 /nfs/dbraw/zinc/24/82/08/660248208.db2.gz KEGFKXZQOAPFLB-MRXNPFEDSA-N 1 0 396.306 2.602 20 0 GFADRO O[C@H](C[NH2+]C1CCN(c2cccnn2)CC1)c1ccccc1Br ZINC000819263798 660252485 /nfs/dbraw/zinc/25/24/85/660252485.db2.gz GLUSULINKDUWBR-MRXNPFEDSA-N 1 0 377.286 2.531 20 0 GFADRO CC(=O)Nc1ccc(C[NH2+]C[C@@H](O)c2ccc(F)c(Br)c2)cn1 ZINC000819272213 660253096 /nfs/dbraw/zinc/25/30/96/660253096.db2.gz OUZNGSHSCFNYKQ-OAHLLOKOSA-N 1 0 382.233 2.765 20 0 GFADRO Cn1ccnc1[C@@H]1C[C@@H]([NH2+]C[C@H](O)c2ccc(Br)cc2)CCO1 ZINC000819359961 660256844 /nfs/dbraw/zinc/25/68/44/660256844.db2.gz GENFXDXGHOGLCA-JYJNAYRXSA-N 1 0 380.286 2.726 20 0 GFADRO C[C@@H]([NH2+]C[C@@H](O)CN(C)C(=O)OC(C)(C)C)c1ccc(Br)cn1 ZINC000819277989 660253336 /nfs/dbraw/zinc/25/33/36/660253336.db2.gz JTPRZWWIIQCMQT-DGCLKSJQSA-N 1 0 388.306 2.723 20 0 GFADRO CC(C)(C)OC(=O)CS(=O)(=O)CC[NH2+][C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000819282283 660253555 /nfs/dbraw/zinc/25/35/55/660253555.db2.gz ZEAZPHOUXYOIME-BXUZGUMPSA-N 1 0 391.892 2.681 20 0 GFADRO O[C@@H](C[NH2+]C[C@@H](N1CCOCC1)C(F)(F)F)c1ccc(Cl)cc1Cl ZINC000819309127 660254496 /nfs/dbraw/zinc/25/44/96/660254496.db2.gz LGDJKGLCVTXDIO-UONOGXRCSA-N 1 0 387.229 2.880 20 0 GFADRO CO[C@@H]1COCC[C@H]1C[NH2+]C[C@](C)(O)c1ccc(Br)cc1Cl ZINC000819344743 660255884 /nfs/dbraw/zinc/25/58/84/660255884.db2.gz MQSIWWFMZCLUKT-XZJROXQQSA-N 1 0 392.721 2.951 20 0 GFADRO CO[C@@H]1COCC[C@H]1C[NH2+]C[C@@](C)(O)c1ccc(Br)cc1Cl ZINC000819344741 660256018 /nfs/dbraw/zinc/25/60/18/660256018.db2.gz MQSIWWFMZCLUKT-IUIKQTSFSA-N 1 0 392.721 2.951 20 0 GFADRO Cn1nccc1[C@@H]1C[C@H]([NH2+]C[C@@H](O)c2ccccc2Br)CCO1 ZINC000819356789 660256551 /nfs/dbraw/zinc/25/65/51/660256551.db2.gz ZTAIKASPIMUSBS-JLZZUVOBSA-N 1 0 380.286 2.726 20 0 GFADRO CCOC(=O)N1CC[C@@H]([NH2+]C[C@@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000819238462 660251491 /nfs/dbraw/zinc/25/14/91/660251491.db2.gz GLVVFYOZYWBVJB-VXGBXAGGSA-N 1 0 377.268 2.554 20 0 GFADRO Cn1nc(Br)cc1C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000819642206 660266058 /nfs/dbraw/zinc/26/60/58/660266058.db2.gz NJOHFDMNZIKDRV-GOEBONIOSA-N 1 0 389.297 2.529 20 0 GFADRO CCC(CC)Nc1cc[nH+]cc1NC(=O)c1cc(=O)n(C)cc1Br ZINC000820014092 660278200 /nfs/dbraw/zinc/27/82/00/660278200.db2.gz MPZPZEYJHYJMFH-UHFFFAOYSA-N 1 0 393.285 2.818 20 0 GFADRO COc1cc2[nH+]ccc(NCCS(=O)(=O)C(C)C)c2cc1Br ZINC000819929132 660275282 /nfs/dbraw/zinc/27/52/82/660275282.db2.gz AJFUYIGXWOFCFC-UHFFFAOYSA-N 1 0 387.299 2.663 20 0 GFADRO C[C@@H](CNC(=O)c1cnn(Cc2ccccc2)c1Br)C[NH+](C)C ZINC000820240702 660286067 /nfs/dbraw/zinc/28/60/67/660286067.db2.gz QVBZYDVGVROFAO-ZDUSSCGKSA-N 1 0 379.302 2.621 20 0 GFADRO C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)c1cc2ccc(Br)cc2c(=O)o1 ZINC000820559346 660297514 /nfs/dbraw/zinc/29/75/14/660297514.db2.gz WLWMSYYVSPJEQI-IINYFYTJSA-N 1 0 379.254 2.720 20 0 GFADRO Cc1cc(NC(=O)c2csc(Br)n2)n(C2CC[NH+](C)CC2)n1 ZINC000820668644 660302201 /nfs/dbraw/zinc/30/22/01/660302201.db2.gz AETPQYQRSVXBII-UHFFFAOYSA-N 1 0 384.303 2.930 20 0 GFADRO C[NH+](C)C1CCC2(CC1)CCN(C(=O)c1ncc(Br)cn1)CC2 ZINC000820869326 660308835 /nfs/dbraw/zinc/30/88/35/660308835.db2.gz VLJSCAMFRLLJRF-UHFFFAOYSA-N 1 0 381.318 2.966 20 0 GFADRO CCn1ncc(C(=O)N[C@H](C)C[N@H+](C)Cc2ccccc2)c1Br ZINC000821729448 660332123 /nfs/dbraw/zinc/33/21/23/660332123.db2.gz XKWDWYHAMKMULN-CYBMUJFWSA-N 1 0 379.302 2.916 20 0 GFADRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(Br)c3nccnc3c2)C1 ZINC000822152469 660340934 /nfs/dbraw/zinc/34/09/34/660340934.db2.gz SMRMEDIYPAVCKB-CYBMUJFWSA-N 1 0 377.286 2.947 20 0 GFADRO C[N@H+](CCCCNC(=O)[C@](C)(O)c1ccc(F)c(Br)c1)C1CC1 ZINC000822272529 660342426 /nfs/dbraw/zinc/34/24/26/660342426.db2.gz RUXMFDZIOGFERT-QGZVFWFLSA-N 1 0 387.293 2.786 20 0 GFADRO C[NH+](C)C1(CNC(=O)c2cccc(S(=O)(=O)C(F)(F)F)c2)CCCC1 ZINC000822316786 660342891 /nfs/dbraw/zinc/34/28/91/660342891.db2.gz KYICAQYPNQJNIQ-UHFFFAOYSA-N 1 0 378.416 2.584 20 0 GFADRO Cc1cc(C[NH+](C)C)ccc1NC(=O)c1cc(=O)n(C)cc1Br ZINC000822343160 660343324 /nfs/dbraw/zinc/34/33/24/660343324.db2.gz MGNINYXNAOPKSZ-UHFFFAOYSA-N 1 0 378.270 2.770 20 0 GFADRO Cn1cc(Br)c(=O)c(NC(=O)NC2CC[NH+](C(C)(C)C)CC2)c1 ZINC000822572689 660348297 /nfs/dbraw/zinc/34/82/97/660348297.db2.gz PXWRPDKITNYPDF-UHFFFAOYSA-N 1 0 385.306 2.532 20 0 GFADRO CN(C)c1nc(Cl)c(C(=O)NC2CC[NH+](Cc3ccccn3)CC2)s1 ZINC000822577573 660348586 /nfs/dbraw/zinc/34/85/86/660348586.db2.gz UBKFCDJMJUJYBR-UHFFFAOYSA-N 1 0 379.917 2.652 20 0 GFADRO COCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](C[C@H](O)c2ccc(Cl)cc2Cl)C1 ZINC000822587439 660348968 /nfs/dbraw/zinc/34/89/68/660348968.db2.gz CSOQNYVWBXWIKJ-IGCXYCKISA-N 1 0 389.323 2.890 20 0 GFADRO CCC[N@@H+]1CC[C@@H](NC(=O)N(C)C[C@@H](O)c2cccc(Br)c2)C1 ZINC000823045624 660360374 /nfs/dbraw/zinc/36/03/74/660360374.db2.gz YSOMTPHOWDPWIR-HZPDHXFCSA-N 1 0 384.318 2.608 20 0 GFADRO C[C@@H]1[NH2+]CC[C@@H]1c1nc(CS(=O)(=O)c2cc(Cl)ccc2Cl)no1 ZINC000822901262 660357303 /nfs/dbraw/zinc/35/73/03/660357303.db2.gz QHLGNZQLOVZILY-WPRPVWTQSA-N 1 0 376.265 2.816 20 0 GFADRO C[C@H](CNC(=O)[C@]1(C)CC1(Br)Br)[NH+]1CCCCC1 ZINC000822952728 660358819 /nfs/dbraw/zinc/35/88/19/660358819.db2.gz ANSRPYXBDOYFAM-PWSUYJOCSA-N 1 0 382.140 2.873 20 0 GFADRO C[C@@H]1[NH2+]CC[C@H]1c1nc(Cc2cccc(F)c2I)no1 ZINC000822981059 660359350 /nfs/dbraw/zinc/35/93/50/660359350.db2.gz USLNWFPVCVNLLR-WCBMZHEXSA-N 1 0 387.196 2.870 20 0 GFADRO [NH3+]CCCCCc1nc(-c2cccn3c(I)cnc23)no1 ZINC000823116313 660362449 /nfs/dbraw/zinc/36/24/49/660362449.db2.gz UAJLKTKSXKFHDX-UHFFFAOYSA-N 1 0 397.220 2.660 20 0 GFADRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)c1cc(Br)cnc1Br ZINC000823133263 660362722 /nfs/dbraw/zinc/36/27/22/660362722.db2.gz LLGJITRWNHYGJQ-SNVBAGLBSA-N 1 0 391.107 2.773 20 0 GFADRO Cc1cnc(Br)c(NC(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)c1 ZINC000823491719 660373472 /nfs/dbraw/zinc/37/34/72/660373472.db2.gz IWPDGFBLYWKVCF-CYBMUJFWSA-N 1 0 383.290 2.527 20 0 GFADRO Cc1cnc(Br)c(NC(=O)N2CCO[C@H](CCC[NH+](C)C)C2)c1 ZINC000823492582 660373754 /nfs/dbraw/zinc/37/37/54/660373754.db2.gz YVCWVEQMQMEAST-CYBMUJFWSA-N 1 0 385.306 2.727 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)c1c(Br)nc2n1CCC2)c1ccccc1 ZINC000823564645 660374915 /nfs/dbraw/zinc/37/49/15/660374915.db2.gz YOHHSDOOKLZUKI-ZDUSSCGKSA-N 1 0 377.286 2.625 20 0 GFADRO O=S(=O)(CC[NH2+][C@@H]1CC=C(c2ccc(Cl)cc2)CC1)N1CCOCC1 ZINC000823824935 660381011 /nfs/dbraw/zinc/38/10/11/660381011.db2.gz CWWOXZAZVJLCEF-GOSISDBHSA-N 1 0 384.929 2.528 20 0 GFADRO COC(=O)c1nn(-c2ccc(Cl)c(Cl)c2)cc1C[NH2+][C@H](CO)C1CC1 ZINC000823881872 660382451 /nfs/dbraw/zinc/38/24/51/660382451.db2.gz DUIZJGCTKDUWSJ-OAHLLOKOSA-N 1 0 384.263 2.826 20 0 GFADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1CNCC[N@@H+]1CCC[C@@H]1C ZINC000824097651 660385371 /nfs/dbraw/zinc/38/53/71/660385371.db2.gz BIOJSNHKFKYADJ-UONOGXRCSA-N 1 0 398.345 2.536 20 0 GFADRO CCOC(=O)C(F)(F)[C@@H]1CC[C@H]([NH2+]C2CCC(CS(C)(=O)=O)CC2)C1 ZINC000824533841 660396293 /nfs/dbraw/zinc/39/62/93/660396293.db2.gz QDPXALCMBGNATR-JYVUQVBGSA-N 1 0 381.485 2.547 20 0 GFADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)C(F)(F)c1ccc(Br)cc1 ZINC000824733296 660400226 /nfs/dbraw/zinc/40/02/26/660400226.db2.gz OXFMUWBFIGHJIU-KBPBESRZSA-N 1 0 389.240 2.520 20 0 GFADRO CCOC(=O)C(F)(F)[C@H]1CC[C@@H]([NH2+]Cc2nn(C)cc2Br)C1 ZINC000824780534 660401810 /nfs/dbraw/zinc/40/18/10/660401810.db2.gz SBXGRQATHZZTGL-VHSXEESVSA-N 1 0 380.233 2.639 20 0 GFADRO Cc1ccccc1C[N@H+]1CCCN(C(=O)c2cc(Br)n(C)n2)CC1 ZINC000824959442 660406345 /nfs/dbraw/zinc/40/63/45/660406345.db2.gz HBGRNQUFTHMUSZ-UHFFFAOYSA-N 1 0 391.313 2.839 20 0 GFADRO C[NH+](C)CCn1cc(NC(=O)C(F)(F)c2ccc(Br)cc2)cn1 ZINC000825083218 660410109 /nfs/dbraw/zinc/41/01/09/660410109.db2.gz DGLSIASMFDNUCT-UHFFFAOYSA-N 1 0 387.228 2.938 20 0 GFADRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)c1c(Br)nc2n1CCC2 ZINC000825110417 660410895 /nfs/dbraw/zinc/41/08/95/660410895.db2.gz FNMQLCKWRKWWTG-ZDUSSCGKSA-N 1 0 383.334 2.976 20 0 GFADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2c(Br)nc3n2CCC3)C1 ZINC000825129855 660412155 /nfs/dbraw/zinc/41/21/55/660412155.db2.gz GSRMRMYSRVLZEV-BETUJISGSA-N 1 0 383.334 2.690 20 0 GFADRO Cc1nc(SCC(C)C)sc1CC(=O)NCCN1CCOC(C)(C)C1 ZINC000825185674 660413758 /nfs/dbraw/zinc/41/37/58/660413758.db2.gz PYSVYNDIIPATRM-UHFFFAOYSA-N 1 0 385.599 2.969 20 0 GFADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1c(Cl)cc(F)cc1Br ZINC000825517638 660431768 /nfs/dbraw/zinc/43/17/68/660431768.db2.gz XPDKUGHADHHJNA-WDEREUQCSA-N 1 0 391.668 2.835 20 0 GFADRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)c2cc(Br)n(C)n2)C1 ZINC000825831293 660443300 /nfs/dbraw/zinc/44/33/00/660443300.db2.gz VKHFWGXUKJBUQU-KBPBESRZSA-N 1 0 383.334 2.909 20 0 GFADRO COC[C@H]([NH2+]Cc1ccccc1I)C1CCOCC1 ZINC000850351465 661771346 /nfs/dbraw/zinc/77/13/46/661771346.db2.gz NBAWJUMEKVNJFV-HNNXBMFYSA-N 1 0 375.250 2.822 20 0 GFADRO C[C@]12CC[N@H+](CCCN3CCOCC3)C[C@H]1C2(Br)Br ZINC000852335736 661860961 /nfs/dbraw/zinc/86/09/61/661860961.db2.gz MHCZCTLIPMYZPD-OLZOCXBDSA-N 1 0 396.167 2.537 20 0 GFADRO C[N@@H+]1CCCC[C@@H](CNC(=O)C[C@H]2C(=O)Nc3ccc(Br)cc32)C1 ZINC000827199088 660483796 /nfs/dbraw/zinc/48/37/96/660483796.db2.gz BZYPMUAUHHXAGH-SWLSCSKDSA-N 1 0 394.313 2.723 20 0 GFADRO CC(C)[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000827253475 660486264 /nfs/dbraw/zinc/48/62/64/660486264.db2.gz HSZKXECCFMFCAE-DVOMOZLQSA-N 1 0 383.945 2.709 20 0 GFADRO C[N@@H+]1CC[C@H]2CN(C(=O)c3cn(-c4ccc(Br)cc4)cn3)CC[C@@H]21 ZINC000827297066 660488158 /nfs/dbraw/zinc/48/81/58/660488158.db2.gz GKLNPFDDOYENPX-GUYCJALGSA-N 1 0 389.297 2.801 20 0 GFADRO CN1CC[NH+](C2CCN(C(=O)CCc3ccc(Br)cc3)CC2)CC1 ZINC000827449733 660496436 /nfs/dbraw/zinc/49/64/36/660496436.db2.gz IEFLHPUBQRKNFL-UHFFFAOYSA-N 1 0 394.357 2.620 20 0 GFADRO CC(C)c1ncc(Br)c(C(=O)N2C[C@]3(C)C[NH+](C)C[C@@]3(C)C2)n1 ZINC000827598493 660503966 /nfs/dbraw/zinc/50/39/66/660503966.db2.gz RELPZHGUQHYPNG-IRXDYDNUSA-N 1 0 381.318 2.776 20 0 GFADRO CCC1([NH+]2CCOCC2)CCN(C(=O)c2nc(C)ccc2Br)CC1 ZINC000827620506 660505545 /nfs/dbraw/zinc/50/55/45/660505545.db2.gz LUUJAPNNRANBLP-UHFFFAOYSA-N 1 0 396.329 2.870 20 0 GFADRO O=C1CCCN1C[C@H]1CC[N@@H+](Cc2ccccc2I)C1 ZINC000827638837 660506176 /nfs/dbraw/zinc/50/61/76/660506176.db2.gz BWEKOZQFHBDTLU-ZDUSSCGKSA-N 1 0 384.261 2.736 20 0 GFADRO C[C@]1(C[NH+]2CCN(CCNC(=O)c3ccccc3F)CC2)CC1(Cl)Cl ZINC000827866211 660520574 /nfs/dbraw/zinc/52/05/74/660520574.db2.gz IEPLEGQIVIUYEV-QGZVFWFLSA-N 1 0 388.314 2.757 20 0 GFADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)c3cc4sccc4nc3Cl)CC2)C1 ZINC000827908798 660522585 /nfs/dbraw/zinc/52/25/85/660522585.db2.gz QMNBTOZSEGHNSW-ZDUSSCGKSA-N 1 0 378.929 2.802 20 0 GFADRO CC(C)[N@H+](C)CC(=O)Nc1cc(-c2ccc(I)cc2)[nH]n1 ZINC000609520930 651621619 /nfs/dbraw/zinc/62/16/19/651621619.db2.gz INQTXCXLCYRYIS-UHFFFAOYSA-N 1 0 398.248 2.960 20 0 GFADRO CCN(C(=O)c1cc(Br)n(C)n1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000828474191 660549867 /nfs/dbraw/zinc/54/98/67/660549867.db2.gz DFEYKDCHMWQOHH-HNNXBMFYSA-N 1 0 391.313 2.919 20 0 GFADRO C[C@@]1(CN2C(=O)N[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2=O)CC1(Cl)Cl ZINC000829449024 660592776 /nfs/dbraw/zinc/59/27/76/660592776.db2.gz JGLHVDIFMQCEDR-DLBZAZTESA-N 1 0 382.291 2.767 20 0 GFADRO CCS(=O)(=O)CCCCC[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1C ZINC000829662361 660605833 /nfs/dbraw/zinc/60/58/33/660605833.db2.gz ZXARWFQGOGLPFT-HZPDHXFCSA-N 1 0 376.563 2.827 20 0 GFADRO [NH3+]CCCOCCNC(=O)Nc1nnc(-c2cc(Cl)cc(Cl)c2)s1 ZINC000625900588 652375426 /nfs/dbraw/zinc/37/54/26/652375426.db2.gz YOBHCEZXSPXCSU-UHFFFAOYSA-N 1 0 390.296 2.999 20 0 GFADRO C[C@@](CO)([NH2+]C[C@H](O)c1ccc(F)c(Br)c1)c1cccc(O)c1 ZINC000829921141 660622294 /nfs/dbraw/zinc/62/22/94/660622294.db2.gz GZTUXDKIDMDULX-IRXDYDNUSA-N 1 0 384.245 2.825 20 0 GFADRO Cc1cc(NC(=O)C(=O)N[C@@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)no1 ZINC000627910521 652442334 /nfs/dbraw/zinc/44/23/34/652442334.db2.gz IUZYZNKFRRQPIM-ZDUSSCGKSA-N 1 0 385.251 2.647 20 0 GFADRO O=C1OCCN1C[C@H]1CC[N@@H+](C[C@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000830094964 660634563 /nfs/dbraw/zinc/63/45/63/660634563.db2.gz JZZHMLDGHVIHSL-JSGCOSHPSA-N 1 0 389.279 2.507 20 0 GFADRO O=C(CC[N@@H+]1CC[C@@H](CN2CCOC2=O)C1)Nc1ccc(Br)cc1 ZINC000830101204 660634935 /nfs/dbraw/zinc/63/49/35/660634935.db2.gz QNYDLFWPSUYNSP-CYBMUJFWSA-N 1 0 396.285 2.552 20 0 GFADRO CN(C)C(=O)O[C@@H]1CC[N@H+](C[C@@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000830488530 660659073 /nfs/dbraw/zinc/65/90/73/660659073.db2.gz WVKUKJBIFZIXKF-VXGBXAGGSA-N 1 0 377.268 2.506 20 0 GFADRO O=C(NCC[C@@H]1CC[C@@H](C(F)(F)F)O1)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000830452715 660657591 /nfs/dbraw/zinc/65/75/91/660657591.db2.gz SIKMCOXGRLMPEY-KKUMJFAQSA-N 1 0 380.476 2.820 20 0 GFADRO O=C(CC[C@@H]1CC1(Cl)Cl)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000830550518 660663330 /nfs/dbraw/zinc/66/33/30/660663330.db2.gz XAMDYIFFMCHCPA-ZACQAIPSSA-N 1 0 385.335 2.960 20 0 GFADRO CCO[C@H](CNC(=O)c1cc2c(cncc2Br)s1)C[NH+](C)C ZINC000831708101 660721164 /nfs/dbraw/zinc/72/11/64/660721164.db2.gz PHUKXEFHOREHKC-SNVBAGLBSA-N 1 0 386.315 2.755 20 0 GFADRO CCc1ccc([C@@H]2CN(C(=O)c3cc(Br)n(C)n3)CCN2)cc1 ZINC000831805416 660728479 /nfs/dbraw/zinc/72/84/79/660728479.db2.gz WXPQRYCCJDVNKZ-HNNXBMFYSA-N 1 0 377.286 2.532 20 0 GFADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)c1cc(Cl)nc(C(F)(F)F)c1 ZINC000832352266 660774626 /nfs/dbraw/zinc/77/46/26/660774626.db2.gz JVRBUCMEVDANOQ-NSHDSACASA-N 1 0 378.826 2.510 20 0 GFADRO Cc1nc(SCC(C)C)sc1CC(=O)N1CC[N@H+](C[C@@H](C)O)C[C@H]1C ZINC000832489802 660782775 /nfs/dbraw/zinc/78/27/75/660782775.db2.gz COSRDCSAMCIABK-ZIAGYGMSSA-N 1 0 385.599 2.656 20 0 GFADRO C[C@H]([NH3+])CCNC(=O)c1cnn(-c2ncccc2Cl)c1C(F)(F)Cl ZINC000832564277 660786576 /nfs/dbraw/zinc/78/65/76/660786576.db2.gz ASNYJVBTBVLECS-QMMMGPOBSA-N 1 0 378.210 2.676 20 0 GFADRO C[C@@H]1[C@H](NC(=O)c2cc(Br)n(C)n2)CC[N@@H+]1Cc1ccccc1 ZINC000832815552 660801916 /nfs/dbraw/zinc/80/19/16/660801916.db2.gz ROIKMLSMELSPPP-TZMCWYRMSA-N 1 0 377.286 2.575 20 0 GFADRO COCCOCCC[NH2+]C[C@](C)(O)c1ccc(Br)cc1Cl ZINC000834357005 660815870 /nfs/dbraw/zinc/81/58/70/660815870.db2.gz CXUQJPNVKVRVGS-HNNXBMFYSA-N 1 0 380.710 2.953 20 0 GFADRO CNC(=O)c1ccc(C[NH2+]C[C@](C)(O)c2ccc(Br)cc2F)cc1 ZINC000834358752 660816121 /nfs/dbraw/zinc/81/61/21/660816121.db2.gz YBZUTMXNWSPXKD-SFHVURJKSA-N 1 0 395.272 2.945 20 0 GFADRO CC(C)[C@@H](C[NH2+][C@H](C)c1nc(Br)cs1)N1CCN(C)CC1 ZINC000834502815 660822701 /nfs/dbraw/zinc/82/27/01/660822701.db2.gz UJCBJXUJZNCEQK-CHWSQXEVSA-N 1 0 375.380 2.828 20 0 GFADRO CC(C)[N@@H+]1CC[C@H](C(=O)NCc2ncc(Cl)s2)[C@@H](c2cnn(C)c2)C1 ZINC000834542187 660823973 /nfs/dbraw/zinc/82/39/73/660823973.db2.gz FKQCUNRUCPYBRJ-UONOGXRCSA-N 1 0 381.933 2.660 20 0 GFADRO CC(C)C[C@H](N[C@@H](C)c1nc(Br)cs1)C(=O)NCC[NH+](C)C ZINC000834733596 660831530 /nfs/dbraw/zinc/83/15/30/660831530.db2.gz PBTVVLADDVYVCM-RYUDHWBXSA-N 1 0 391.379 2.649 20 0 GFADRO COc1ccc(C(=O)NC2CCC(C)([NH+]3CCC3)CC2)nc1Br ZINC000834785902 660833119 /nfs/dbraw/zinc/83/31/19/660833119.db2.gz IVSFVMLMXUGPNK-UHFFFAOYSA-N 1 0 382.302 2.990 20 0 GFADRO CC(C)[NH+]1CCC(NC(=O)NC[C@@H](O)c2ccccc2Br)CC1 ZINC000836198942 660895105 /nfs/dbraw/zinc/89/51/05/660895105.db2.gz PZWWRANOKADWNM-MRXNPFEDSA-N 1 0 384.318 2.655 20 0 GFADRO CSc1nc2ccc(NC(=O)N[C@@H]3CCC[N@H+](CCCO)C3)cc2s1 ZINC000836208833 660895357 /nfs/dbraw/zinc/89/53/57/660895357.db2.gz KQORQAYVMVEBHD-CYBMUJFWSA-N 1 0 380.539 2.987 20 0 GFADRO Cc1cc(Br)nc(NC(=O)N2CC[NH+](CC3CCOCC3)CC2)c1 ZINC000836761102 660939889 /nfs/dbraw/zinc/93/98/89/660939889.db2.gz ZYDLNUPKWYGNGK-UHFFFAOYSA-N 1 0 397.317 2.729 20 0 GFADRO C[C@@H](C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1)[NH+]1CCCCCC1 ZINC000008119179 654479410 /nfs/dbraw/zinc/47/94/10/654479410.db2.gz LNNDNVYEPSNWGA-ZDUSSCGKSA-N 1 0 387.933 2.793 20 0 GFADRO C[C@H]1C[NH+](CCCNC(=O)COc2cc(Cl)ccc2Cl)C[C@H](C)O1 ZINC000021662897 654529439 /nfs/dbraw/zinc/52/94/39/654529439.db2.gz RVMJBVGMBWBFHP-STQMWFEESA-N 1 0 375.296 2.988 20 0 GFADRO CC(C)[C@H](NC(=O)c1cccs1)C(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000023133175 654536325 /nfs/dbraw/zinc/53/63/25/654536325.db2.gz QXSPIUXSXIFDBR-HOCLYGCPSA-N 1 0 379.551 2.983 20 0 GFADRO CCOc1c(Br)cc(C[NH2+][C@H](C)C(N)=O)cc1Br ZINC000035047442 654610667 /nfs/dbraw/zinc/61/06/67/654610667.db2.gz OTSHWTZBFJNITR-SSDOTTSWSA-N 1 0 380.080 2.574 20 0 GFADRO COc1c(Br)cc(C[NH2+]CC(=O)NC2CC2)cc1Br ZINC000036325252 654612541 /nfs/dbraw/zinc/61/25/41/654612541.db2.gz UGJUKRDZOBAMIQ-UHFFFAOYSA-N 1 0 392.091 2.588 20 0 GFADRO CC[C@H]([NH2+]C1CCN(S(C)(=O)=O)CC1)c1cccc(Br)c1 ZINC000037270391 654614630 /nfs/dbraw/zinc/61/46/30/654614630.db2.gz WNKQHRWBJMQUKT-HNNXBMFYSA-N 1 0 375.332 2.914 20 0 GFADRO C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)Nc2cc(Cl)ccc2Cl)C[C@H](C)O1 ZINC000041275511 654625408 /nfs/dbraw/zinc/62/54/08/654625408.db2.gz ZBDDJQGWIYIFDL-TXEJJXNPSA-N 1 0 388.295 2.547 20 0 GFADRO Cc1csc([C@@](O)(CC(=O)N(C)[C@@H]2CC[N@@H+](C(C)C)C2)C(F)(F)F)n1 ZINC000837186716 660976266 /nfs/dbraw/zinc/97/62/66/660976266.db2.gz UMQATHZYNFNBBD-DOMZBBRYSA-N 1 0 379.448 2.533 20 0 GFADRO C#CCOc1ccc(Br)cc1C[NH2+]C[C@H](O)COc1ccccc1 ZINC000042203306 654636010 /nfs/dbraw/zinc/63/60/10/654636010.db2.gz NQFAPHJOOWLEKB-KRWDZBQOSA-N 1 0 390.277 2.991 20 0 GFADRO CCOCCCC(=O)Nc1cc(Br)ccc1N1CC[NH+](C)CC1 ZINC000042395678 654639653 /nfs/dbraw/zinc/63/96/53/654639653.db2.gz ORTBYWZASZLFLD-UHFFFAOYSA-N 1 0 384.318 2.956 20 0 GFADRO CC[NH+]1CCN(CCNC(=S)Nc2ccc(OC(F)(F)F)cc2)CC1 ZINC000044158787 654654533 /nfs/dbraw/zinc/65/45/33/654654533.db2.gz RGZSQVLHHWZDBZ-UHFFFAOYSA-N 1 0 376.448 2.509 20 0 GFADRO CC[NH+](CC)[C@H](C)CNC(=O)CCNC(=O)Nc1ccc(Br)cc1 ZINC000044507766 654659088 /nfs/dbraw/zinc/65/90/88/654659088.db2.gz IPPVEKKYGWPXOA-CYBMUJFWSA-N 1 0 399.333 2.807 20 0 GFADRO CC1CC[NH+](CCCNC(=O)NNC(=O)c2ccccc2Br)CC1 ZINC000045123179 654666571 /nfs/dbraw/zinc/66/65/71/654666571.db2.gz JXYALCLXZGLSSE-UHFFFAOYSA-N 1 0 397.317 2.515 20 0 GFADRO CN(C[C@H](O)c1ccccc1Br)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000837346144 660987970 /nfs/dbraw/zinc/98/79/70/660987970.db2.gz QJPGDLZECJRTNB-INIZCTEOSA-N 1 0 398.345 2.998 20 0 GFADRO C[N@H+](CCNC(=O)c1c(Br)nc2n1CCCC2)Cc1ccccc1 ZINC000837361381 660989200 /nfs/dbraw/zinc/98/92/00/660989200.db2.gz ZYWQTNYYEZDLPF-UHFFFAOYSA-N 1 0 391.313 2.844 20 0 GFADRO CC[NH+](CC)CCCNC(=O)C(=O)Nc1ccc(Br)cc1Cl ZINC000048669175 654711060 /nfs/dbraw/zinc/71/10/60/654711060.db2.gz QDPUSTYSWPIHOC-UHFFFAOYSA-N 1 0 390.709 2.889 20 0 GFADRO C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000049958765 654716776 /nfs/dbraw/zinc/71/67/76/654716776.db2.gz ZPFYFUNVKYXYBT-IUODEOHRSA-N 1 0 379.913 2.939 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000121963093 654725898 /nfs/dbraw/zinc/72/58/98/654725898.db2.gz NMBJXELDZKZXOP-BBRMVZONSA-N 1 0 394.313 2.639 20 0 GFADRO O=S(=O)(NCC[NH2+]Cc1ccc(OC(F)(F)F)cc1)c1cccs1 ZINC000122164021 654730056 /nfs/dbraw/zinc/73/00/56/654730056.db2.gz WFDFODXIKPSEKN-UHFFFAOYSA-N 1 0 380.413 2.715 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)c1ccn(-c2cccc(Br)c2)n1 ZINC000122295654 654732878 /nfs/dbraw/zinc/73/28/78/654732878.db2.gz SMWYAJOSDYSXCF-MLGOLLRUSA-N 1 0 377.286 2.977 20 0 GFADRO COc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)NC(=O)NC(C)C)cc1Br ZINC000052686712 654738117 /nfs/dbraw/zinc/73/81/17/654738117.db2.gz XEXDXVRBAXLOHY-QWRGUYRKSA-N 1 0 386.290 2.731 20 0 GFADRO CC[NH+](CC)[C@H](CNC(=O)[C@@H]1CSCN1C(C)=O)c1ccccc1Cl ZINC000122664810 654741725 /nfs/dbraw/zinc/74/17/25/654741725.db2.gz HLGPIXXVOWVMJF-SJORKVTESA-N 1 0 383.945 2.761 20 0 GFADRO Cc1ccc(NC(=O)C(=O)NC[C@@H](C(C)C)[NH+]2CCCC2)cc1Br ZINC000122847390 654744380 /nfs/dbraw/zinc/74/43/80/654744380.db2.gz VVGFBDZCHQGOGW-INIZCTEOSA-N 1 0 396.329 2.933 20 0 GFADRO COCC[N@H+](C)CCCNC(=O)N[C@H](C)Cc1ccccc1Br ZINC000123000879 654749766 /nfs/dbraw/zinc/74/97/66/654749766.db2.gz HVFYLPSIVULCNW-CQSZACIVSA-N 1 0 386.334 2.648 20 0 GFADRO C[NH+](C)CCN(Cc1ccco1)C(=O)c1c(Br)nc2n1CCCC2 ZINC000837463182 660999746 /nfs/dbraw/zinc/99/97/46/660999746.db2.gz GXLZQFQUMUVXCX-UHFFFAOYSA-N 1 0 395.301 2.779 20 0 GFADRO Cc1cc(S(=O)(=O)NCc2ccc(CC[NH3+])cc2)sc1Br ZINC000123635024 654759894 /nfs/dbraw/zinc/75/98/94/654759894.db2.gz LYRYUZFZRJJKRB-UHFFFAOYSA-N 1 0 389.340 2.799 20 0 GFADRO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000054537550 654761849 /nfs/dbraw/zinc/76/18/49/654761849.db2.gz OVKQTSLKHGETPD-CYBMUJFWSA-N 1 0 376.469 2.923 20 0 GFADRO CN(Cc1cc(Br)cs1)C(=O)C[N@H+](C[C@@H]1CCOC1)C1CC1 ZINC000123810338 654764347 /nfs/dbraw/zinc/76/43/47/654764347.db2.gz NUFGYRGUOSNQEE-LBPRGKRZSA-N 1 0 387.343 2.970 20 0 GFADRO CCOC[C@@H]1CCC[N@H+](Cn2nc(Br)c(=O)c3ccccc32)C1 ZINC000124160406 654771693 /nfs/dbraw/zinc/77/16/93/654771693.db2.gz PRAZCVBDERCPOY-CYBMUJFWSA-N 1 0 380.286 2.865 20 0 GFADRO Cc1sc(C(=O)NCCCC[N@H+]2CCCC[C@H]2C)cc1CS(C)(=O)=O ZINC000124267616 654773209 /nfs/dbraw/zinc/77/32/09/654773209.db2.gz XMCLKBDITOQANT-CQSZACIVSA-N 1 0 386.583 2.986 20 0 GFADRO O=C(C[NH2+]C1(Cc2ccc(Br)cc2)CCCCC1)N1CCNC1=O ZINC000124930637 654783874 /nfs/dbraw/zinc/78/38/74/654783874.db2.gz LHGLKKCBKJVSJY-UHFFFAOYSA-N 1 0 394.313 2.836 20 0 GFADRO CC1CC[NH+](C[C@H](O)CNC(=O)c2cc(Cl)cc(Br)c2)CC1 ZINC000124973723 654785081 /nfs/dbraw/zinc/78/50/81/654785081.db2.gz ZHTKXTSNBUQMGJ-OAHLLOKOSA-N 1 0 389.721 2.925 20 0 GFADRO CCCS(=O)(=O)N1CCC([NH2+]Cc2cc(Cl)c(OC)c(OC)c2)CC1 ZINC000125129758 654788833 /nfs/dbraw/zinc/78/88/33/654788833.db2.gz OVLLWYGVTHSOMF-UHFFFAOYSA-N 1 0 390.933 2.651 20 0 GFADRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1c(Br)nc2n1CCCC2 ZINC000837631283 661008771 /nfs/dbraw/zinc/00/87/71/661008771.db2.gz VWVXFFOBSAWLPA-CHWSQXEVSA-N 1 0 381.318 2.681 20 0 GFADRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1c(Br)nc2n1CCCC2 ZINC000837631284 661008784 /nfs/dbraw/zinc/00/87/84/661008784.db2.gz VWVXFFOBSAWLPA-OLZOCXBDSA-N 1 0 381.318 2.681 20 0 GFADRO CSCC[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)NCC[NH+](C)C ZINC000125524803 654796665 /nfs/dbraw/zinc/79/66/65/654796665.db2.gz KTXGHPPVAYOIAZ-CQSZACIVSA-N 1 0 392.352 2.523 20 0 GFADRO CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+][C@H]2CCN(CC(F)(F)F)C2)cc1 ZINC000125834307 654803370 /nfs/dbraw/zinc/80/33/70/654803370.db2.gz QAALPQSVGMIWFG-DOMZBBRYSA-N 1 0 379.448 2.735 20 0 GFADRO O[C@H](COc1c(Cl)cccc1Cl)CN1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000057941902 654812786 /nfs/dbraw/zinc/81/27/86/654812786.db2.gz GCLODKSGDHKAGR-GJZGRUSLSA-N 1 0 389.323 2.530 20 0 GFADRO O[C@@H](COc1ccc(Cl)cc1Cl)CN1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000057942295 654813076 /nfs/dbraw/zinc/81/30/76/654813076.db2.gz UZYWEVZRVWEHOI-CVEARBPZSA-N 1 0 389.323 2.530 20 0 GFADRO Cc1ccsc1C[NH2+]Cc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 ZINC000126830642 654822130 /nfs/dbraw/zinc/82/21/30/654822130.db2.gz CEIDXNQSIIGVOF-MRXNPFEDSA-N 1 0 380.535 2.804 20 0 GFADRO CCS(=O)(=O)c1ccc(Cl)c(C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000127191715 654825980 /nfs/dbraw/zinc/82/59/80/654825980.db2.gz UIEXQGKWWGPFBF-CQSZACIVSA-N 1 0 384.929 2.692 20 0 GFADRO C[NH+](C)CC(=O)N1CCN(Cc2csc(-c3ccc(Cl)cc3)n2)CC1 ZINC000127577468 654832185 /nfs/dbraw/zinc/83/21/85/654832185.db2.gz DEJBRFHPZNXIPA-UHFFFAOYSA-N 1 0 378.929 2.669 20 0 GFADRO O=C(/C=C/c1ccc(I)o1)N1CCC[N@@H+](C2CC2)CC1 ZINC000061605909 654840889 /nfs/dbraw/zinc/84/08/89/654840889.db2.gz DRAKYTBACZSVBL-FNORWQNLSA-N 1 0 386.233 2.594 20 0 GFADRO CC[NH+](CC)C[C@H](C)NC(=O)N(C)C[C@H](O)c1ccccc1Br ZINC000837907304 661019593 /nfs/dbraw/zinc/01/95/93/661019593.db2.gz MRDJRXVVZOOESV-BBRMVZONSA-N 1 0 386.334 2.854 20 0 GFADRO COc1ccc(C[NH+]2CCC(CNS(=O)(=O)c3cccs3)CC2)cc1 ZINC000063311165 654851832 /nfs/dbraw/zinc/85/18/32/654851832.db2.gz XBUDNRFZJQEDLR-UHFFFAOYSA-N 1 0 380.535 2.947 20 0 GFADRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3csc(I)c3)CC[C@@H]21 ZINC000129129922 654857546 /nfs/dbraw/zinc/85/75/46/654857546.db2.gz YEDNQXAFRQMMFO-JQWIXIFHSA-N 1 0 390.290 2.909 20 0 GFADRO COCC[N@H+]1[C@H](C)CN(CC(=O)Nc2ccc(Br)c(C)c2)C[C@@H]1C ZINC000129149530 654858227 /nfs/dbraw/zinc/85/82/27/654858227.db2.gz ZYULUNGFASJROF-GASCZTMLSA-N 1 0 398.345 2.737 20 0 GFADRO CC[NH+](CC)CCSCC(=O)NCc1ccnc(OCC(F)(F)F)c1 ZINC000266190607 654861765 /nfs/dbraw/zinc/86/17/65/654861765.db2.gz WSJRDSXZSPXIKS-UHFFFAOYSA-N 1 0 379.448 2.714 20 0 GFADRO COCCn1cc(C[NH2+][C@@H]2CCN(c3ccc(Br)cc3)C2)cn1 ZINC000266193889 654861887 /nfs/dbraw/zinc/86/18/87/654861887.db2.gz JLQRHWMVXOBXAQ-MRXNPFEDSA-N 1 0 379.302 2.661 20 0 GFADRO COCCn1cc(C[NH2+]CCC(=O)Nc2cc(Br)ccc2C)cn1 ZINC000266209878 654863391 /nfs/dbraw/zinc/86/33/91/654863391.db2.gz OAVBIPVYYMVFDQ-UHFFFAOYSA-N 1 0 395.301 2.719 20 0 GFADRO O=C(/C=C/c1cc(Br)cs1)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000266275012 654868139 /nfs/dbraw/zinc/86/81/39/654868139.db2.gz CZYKABZKAPGYQG-AORQRIRUSA-N 1 0 385.327 2.705 20 0 GFADRO CCC[N@H+](CCCC(=O)NC(N)=O)CC(=O)Nc1ccc(Cl)cc1Cl ZINC000064431264 654868952 /nfs/dbraw/zinc/86/89/52/654868952.db2.gz SOECLUWAQIPMGD-UHFFFAOYSA-N 1 0 389.283 2.619 20 0 GFADRO COC(=O)C1CC[NH+](CCCNC(=O)c2cccc(Br)c2C)CC1 ZINC000266288479 654869193 /nfs/dbraw/zinc/86/91/93/654869193.db2.gz YJUVMRCXOYOFQH-UHFFFAOYSA-N 1 0 397.313 2.762 20 0 GFADRO O=C(NC[C@@H]1CCC[NH2+]C1)c1ccc(I)cc1Cl ZINC000129899316 654876828 /nfs/dbraw/zinc/87/68/28/654876828.db2.gz YTGZUJCLODFQDN-SECBINFHSA-N 1 0 378.641 2.674 20 0 GFADRO C[NH+](C)C[C@@](C)(O)CNC(=O)NCCOc1c(Cl)cc(Cl)cc1Cl ZINC000130149697 654880968 /nfs/dbraw/zinc/88/09/68/654880968.db2.gz SHIDXCNFPVHDRA-HNNXBMFYSA-N 1 0 398.718 2.637 20 0 GFADRO Cc1ccc(NC(=O)C(=O)NC[C@H]2CC[N@@H+](C(C)C)C2)c(Br)c1 ZINC000065639563 654883595 /nfs/dbraw/zinc/88/35/95/654883595.db2.gz ZRCUSPHZOFHHON-CYBMUJFWSA-N 1 0 382.302 2.543 20 0 GFADRO COc1ccc(C[N@@H+]2CCC[C@@H](CS(N)(=O)=O)C2)cc1SC(F)(F)F ZINC000266718090 654890938 /nfs/dbraw/zinc/89/09/38/654890938.db2.gz GUGYRQOAEWDIJD-GFCCVEGCSA-N 1 0 398.472 2.808 20 0 GFADRO CC[C@H](NC(=O)NCC[N@H+](C)CCCOC)c1nc(C(F)(F)F)cs1 ZINC000266728254 654891505 /nfs/dbraw/zinc/89/15/05/654891505.db2.gz CGDNAWDOWDEJJW-NSHDSACASA-N 1 0 382.452 2.881 20 0 GFADRO O=C(NC1CC[NH+](Cc2ccccn2)CC1)c1ccc(Br)cc1O ZINC000066046968 654893642 /nfs/dbraw/zinc/89/36/42/654893642.db2.gz LNSQRBIKRCLEDH-UHFFFAOYSA-N 1 0 390.281 2.944 20 0 GFADRO Cc1c(Br)cccc1CN1CCN([C@H](C)C(=O)NC2CC2)CC1 ZINC000130963012 654894203 /nfs/dbraw/zinc/89/42/03/654894203.db2.gz LSGGKSVKLHCUPP-CQSZACIVSA-N 1 0 380.330 2.542 20 0 GFADRO CC[NH+]1CCN(CCC(=O)NCCc2nc3cc(Cl)ccc3s2)CC1 ZINC000266798445 654894360 /nfs/dbraw/zinc/89/43/60/654894360.db2.gz GKMCEWRHMWSJCY-UHFFFAOYSA-N 1 0 380.945 2.636 20 0 GFADRO COc1cc([C@@H](C)[NH2+]C[C@@H](C)N(C)C2CC2)ccc1S(=O)(=O)C(F)F ZINC000131007128 654895834 /nfs/dbraw/zinc/89/58/34/654895834.db2.gz CKJGUTUOUDNXEK-VXGBXAGGSA-N 1 0 376.469 2.825 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000066223518 654896974 /nfs/dbraw/zinc/89/69/74/654896974.db2.gz ZIPPLPIYKMOCMK-HNNXBMFYSA-N 1 0 394.313 2.701 20 0 GFADRO NC(=O)[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1c(Cl)cccc1C(F)(F)F ZINC000131183923 654897872 /nfs/dbraw/zinc/89/78/72/654897872.db2.gz OJAMOFJVPUGXBU-BXKDBHETSA-N 1 0 377.794 2.931 20 0 GFADRO CN(C)S(=O)(=O)CCC[N@@H+](Cc1ccccc1)C[C@H](O)c1cccs1 ZINC000131221112 654899309 /nfs/dbraw/zinc/89/93/09/654899309.db2.gz UWKYACDERJPEJT-KRWDZBQOSA-N 1 0 382.551 2.565 20 0 GFADRO C[NH+](C)[C@]1(CNC(=O)Cc2cn3cc(Cl)cc(Cl)c3n2)CCSC1 ZINC000267066968 654908454 /nfs/dbraw/zinc/90/84/54/654908454.db2.gz CZSQDBBIHOFGCR-INIZCTEOSA-N 1 0 387.336 2.737 20 0 GFADRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)NC[C@H](O)c2ccccc2Br)C1 ZINC000838314260 661039885 /nfs/dbraw/zinc/03/98/85/661039885.db2.gz RKBKOYVMZJTPBC-YOEHRIQHSA-N 1 0 398.345 2.902 20 0 GFADRO O=C(Nc1ccc(Br)cn1)C1CC[NH+](CCC2OCCCO2)CC1 ZINC000267102803 654911098 /nfs/dbraw/zinc/91/10/98/654911098.db2.gz YHDYNHOQTQKPRV-UHFFFAOYSA-N 1 0 398.301 2.648 20 0 GFADRO C[NH+]1CCC(O)(CNC(=O)CCCCOc2ccc(Br)cc2)CC1 ZINC000267127261 654912369 /nfs/dbraw/zinc/91/23/69/654912369.db2.gz OOZGVKCPNKTVBN-UHFFFAOYSA-N 1 0 399.329 2.571 20 0 GFADRO COc1ccc(OC(F)F)c(NC(=O)NC[C@]2([NH+](C)C)CCSC2)c1 ZINC000267174912 654915373 /nfs/dbraw/zinc/91/53/73/654915373.db2.gz LUVPCTDBBRFCSA-MRXNPFEDSA-N 1 0 375.441 2.855 20 0 GFADRO CN(C)C(=O)[C@@H]1C[N@H+](CCc2cccs2)CCN1CCc1cccs1 ZINC000131743063 654915954 /nfs/dbraw/zinc/91/59/54/654915954.db2.gz DOTZOBDRZBMOBR-SFHVURJKSA-N 1 0 377.579 2.669 20 0 GFADRO O[C@H](COc1ccc(Br)cc1)C[N@@H+]1CC[C@H](Oc2ccncc2)C1 ZINC000131768554 654917429 /nfs/dbraw/zinc/91/74/29/654917429.db2.gz PUEQILKZCDPEJN-YJBOKZPZSA-N 1 0 393.281 2.737 20 0 GFADRO CCS(=O)(=O)NCC[NH2+]Cc1ccc(-c2ccc(C(F)(F)F)cc2)o1 ZINC000066875640 654919520 /nfs/dbraw/zinc/91/95/20/654919520.db2.gz FSYWUJOMCKPUSD-UHFFFAOYSA-N 1 0 376.400 2.994 20 0 GFADRO O=C(c1ccccc1I)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000066945583 654923260 /nfs/dbraw/zinc/92/32/60/654923260.db2.gz XQIONEZZUVJEMO-ZDUSSCGKSA-N 1 0 384.261 2.992 20 0 GFADRO COc1c(Cl)cc(NC(=O)C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)cc1Cl ZINC000267385668 654926482 /nfs/dbraw/zinc/92/64/82/654926482.db2.gz GRNFCSIJAYAOIC-ZYHUDNBSSA-N 1 0 388.295 2.930 20 0 GFADRO O=C(/C=C/c1csc(Br)c1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000267427779 654928215 /nfs/dbraw/zinc/92/82/15/654928215.db2.gz YAIBHNHVENXGCV-YUKKFKLSSA-N 1 0 385.327 2.705 20 0 GFADRO CC1CC[NH+](C[C@@H](O)CNCC2=Cc3cc(Br)ccc3OC2)CC1 ZINC000067122369 654930817 /nfs/dbraw/zinc/93/08/17/654930817.db2.gz OPFOFBYQGCKJMA-SFHVURJKSA-N 1 0 395.341 2.907 20 0 GFADRO CC(=O)NC[C@H]1CCC[N@H+](C[C@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000067415086 654938750 /nfs/dbraw/zinc/93/87/50/654938750.db2.gz JCDSEHZIDQFCJG-KGLIPLIRSA-N 1 0 375.296 2.581 20 0 GFADRO C[C@@H](CNC(=O)Cc1csc(NC(=O)c2cccs2)n1)[NH+]1CCCC1 ZINC000068065058 654953123 /nfs/dbraw/zinc/95/31/23/654953123.db2.gz VSDPWEZCXMWTDV-LBPRGKRZSA-N 1 0 378.523 2.600 20 0 GFADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)CCCc1cc(Cl)sc1Cl ZINC000267968389 654954480 /nfs/dbraw/zinc/95/44/80/654954480.db2.gz GSKMBDKHRBKAGO-LBPRGKRZSA-N 1 0 392.352 2.834 20 0 GFADRO CCc1nc(CN2CCN(C(=O)c3sccc3C[NH+](C)C)CC2)cs1 ZINC000268055284 654957520 /nfs/dbraw/zinc/95/75/20/654957520.db2.gz XQVZOYINLXUKHY-UHFFFAOYSA-N 1 0 378.567 2.787 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)[C@H]1CSCN1C(=O)CC(C)(C)C)c1ccsc1 ZINC000068393574 654961513 /nfs/dbraw/zinc/96/15/13/654961513.db2.gz WDWJOQXBBFZTMA-HUUCEWRRSA-N 1 0 383.583 2.805 20 0 GFADRO C[C@H](NC(=O)C(=O)Nc1cc(F)ccc1Br)C(C)(C)C[NH+](C)C ZINC000133494618 654964899 /nfs/dbraw/zinc/96/48/99/654964899.db2.gz GKYORVWXPYUIIL-JTQLQIEISA-N 1 0 388.281 2.619 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)c1ccc(F)c(I)c1)C1CC1 ZINC000133509807 654965334 /nfs/dbraw/zinc/96/53/34/654965334.db2.gz JLFKUTPBZVRSEM-CYBMUJFWSA-N 1 0 376.213 2.500 20 0 GFADRO CC[C@@](C)([NH2+]CC(=O)N1CCc2sccc2[C@H]1c1cccs1)C(N)=O ZINC000133732498 654972605 /nfs/dbraw/zinc/97/26/05/654972605.db2.gz MXHDLJWBFBEEIP-FUHWJXTLSA-N 1 0 377.535 2.527 20 0 GFADRO CC(C)[NH+]1CCC(O)(CNC(=O)/C=C/c2ccccc2Br)CC1 ZINC000268457515 654972733 /nfs/dbraw/zinc/97/27/33/654972733.db2.gz JSXRGGRWPKTVMJ-BQYQJAHWSA-N 1 0 381.314 2.814 20 0 GFADRO CN(CCC[NH3+])S(=O)(=O)c1c(Cl)cc(Br)cc1Cl ZINC000133772068 654973611 /nfs/dbraw/zinc/97/36/11/654973611.db2.gz ALWHPFBISJQPSE-UHFFFAOYSA-N 1 0 376.103 2.725 20 0 GFADRO CC[N@@H+]1CCC[C@H](CNC(=O)c2cc(OC)c(Br)c(OC)c2)C1 ZINC000069138510 654974608 /nfs/dbraw/zinc/97/46/08/654974608.db2.gz OKMANVPIINKSOH-GFCCVEGCSA-N 1 0 385.302 2.928 20 0 GFADRO CCC[N@H+](CC(=O)Nc1ccccc1I)CC(C)(C)O ZINC000268521632 654976376 /nfs/dbraw/zinc/97/63/76/654976376.db2.gz FVOQYYHZMQPKJJ-UHFFFAOYSA-N 1 0 390.265 2.713 20 0 GFADRO C[C@@H]1CCCC[C@@]1(C[NH3+])NS(=O)(=O)c1ccc(F)cc1Br ZINC000134036990 654981286 /nfs/dbraw/zinc/98/12/86/654981286.db2.gz UIHWXIWETIWAQN-YGRLFVJLSA-N 1 0 379.295 2.774 20 0 GFADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(C)(C)c1cccc(Br)c1 ZINC000069577124 654983453 /nfs/dbraw/zinc/98/34/53/654983453.db2.gz RXAUOCIOZUYKBA-MRXNPFEDSA-N 1 0 383.330 2.954 20 0 GFADRO CC(C)C(=O)N1CCC[N@H+](C[C@@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000069609087 654984180 /nfs/dbraw/zinc/98/41/80/654984180.db2.gz ZXYNPTRYLTUOQE-OAHLLOKOSA-N 1 0 389.323 2.923 20 0 GFADRO C[NH+](C)C(C)(C)CNC(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1 ZINC000069636585 654984361 /nfs/dbraw/zinc/98/43/61/654984361.db2.gz MUWZAYKDRSMPAE-UHFFFAOYSA-N 1 0 386.945 2.883 20 0 GFADRO C[C@H]([NH2+]CCNC(=O)c1ccc(Cl)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000268796963 654987160 /nfs/dbraw/zinc/98/71/60/654987160.db2.gz FABQPXPIQIKWIC-ZDUSSCGKSA-N 1 0 380.897 2.824 20 0 GFADRO CC[C@@H](C(=O)NCC1(c2ccc(Br)cc2)CCOCC1)[NH+](C)C ZINC000268798631 654987164 /nfs/dbraw/zinc/98/71/64/654987164.db2.gz FMIZKJRDDZIMBD-INIZCTEOSA-N 1 0 383.330 2.954 20 0 GFADRO O[C@@H](C[NH+]1CCC(Oc2ccccc2I)CC1)C1CC1 ZINC000838865128 661060356 /nfs/dbraw/zinc/06/03/56/661060356.db2.gz FNFXBTABLKMWAE-HNNXBMFYSA-N 1 0 387.261 2.905 20 0 GFADRO O[C@@H](CN1CCC[C@H](C[NH+]2CCOCC2)C1)c1cccc(Br)c1 ZINC000069857052 654987344 /nfs/dbraw/zinc/98/73/44/654987344.db2.gz CGMBOLKDLMPGDU-QAPCUYQASA-N 1 0 383.330 2.527 20 0 GFADRO C[C@@H]([NH2+]C[C@]1(N(C)C)CCSC1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000268912708 654990803 /nfs/dbraw/zinc/99/08/03/654990803.db2.gz IBYQAGZLCOKBCB-MLGOLLRUSA-N 1 0 378.510 2.771 20 0 GFADRO NC(=O)[C@H]1CCCN1CCC[NH2+][C@H]1CCCOc2ccc(Br)cc21 ZINC000268945644 654992431 /nfs/dbraw/zinc/99/24/31/654992431.db2.gz UFNQXEBZNXERQX-JKSUJKDBSA-N 1 0 396.329 2.592 20 0 GFADRO C[C@@H]([NH2+]C[C@@H](O)COc1cccc(Br)c1)c1nnc2ccccn21 ZINC000070869369 654996373 /nfs/dbraw/zinc/99/63/73/654996373.db2.gz QWKZTAGYKVVMEY-TZMCWYRMSA-N 1 0 391.269 2.582 20 0 GFADRO CC[C@H]([NH3+])C(=O)N1CCC[C@@H]1c1nc(Cc2ccc(Br)cc2)no1 ZINC000269053804 654996372 /nfs/dbraw/zinc/99/63/72/654996372.db2.gz NSSKVBFSEXFYGO-UONOGXRCSA-N 1 0 393.285 2.824 20 0 GFADRO CCCN(CC(=O)Nc1ccc(Cl)cc1Cl)C(=O)C[C@H]1C[NH2+]CCO1 ZINC000269181253 655000949 /nfs/dbraw/zinc/00/09/49/655000949.db2.gz ADRRNBZAZAYWJK-ZDUSSCGKSA-N 1 0 388.295 2.549 20 0 GFADRO CC[NH2+]CC1CCN(C(=O)c2cc(F)ccc2I)CC1 ZINC000269184023 655000973 /nfs/dbraw/zinc/00/09/73/655000973.db2.gz CVUQPBVOVTTZIQ-UHFFFAOYSA-N 1 0 390.240 2.892 20 0 GFADRO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000269221376 655002029 /nfs/dbraw/zinc/00/20/29/655002029.db2.gz SJIKMZOVUPYPGO-NWDGAFQWSA-N 1 0 393.281 2.982 20 0 GFADRO O=C(C[C@H]1C[NH2+]CCO1)N1CCC(OCc2ccc(Cl)c(Cl)c2)CC1 ZINC000269233282 655002449 /nfs/dbraw/zinc/00/24/49/655002449.db2.gz JDNKIEBAFZUNQH-HNNXBMFYSA-N 1 0 387.307 2.880 20 0 GFADRO C[NH+](C)C1(CNC(=O)CCc2cc(Br)ccc2F)CCOCC1 ZINC000134780069 655003631 /nfs/dbraw/zinc/00/36/31/655003631.db2.gz YFADHOBIXYFRHN-UHFFFAOYSA-N 1 0 387.293 2.748 20 0 GFADRO C[C@H](Oc1cccc(Br)c1)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000072246771 655003854 /nfs/dbraw/zinc/00/38/54/655003854.db2.gz PVQPZEDHXYRSPP-LBPRGKRZSA-N 1 0 381.274 2.613 20 0 GFADRO CN(Cc1nc(C(F)(F)F)cs1)C(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC000269299719 655004938 /nfs/dbraw/zinc/00/49/38/655004938.db2.gz TXXHAGPPVYWCTK-LBPRGKRZSA-N 1 0 377.432 2.764 20 0 GFADRO Cc1cc(CN2CCN(C(=O)C[NH+]3CCCC3)CC2)sc1Br ZINC000093046842 655016637 /nfs/dbraw/zinc/01/66/37/655016637.db2.gz FMPHZLXAGHJWAX-UHFFFAOYSA-N 1 0 386.359 2.559 20 0 GFADRO O[C@@H](COc1ccc(Cl)cc1Cl)C[N@@H+]1CCS[C@H]2COCC[C@@H]21 ZINC000135530375 655019567 /nfs/dbraw/zinc/01/95/67/655019567.db2.gz HDGHEOKWZLFXDD-INWMFGNUSA-N 1 0 378.321 2.939 20 0 GFADRO CCOCCOc1ccc(Br)cc1C[N@@H+]1CCC[C@@H](CC(N)=O)C1 ZINC000093809105 655020931 /nfs/dbraw/zinc/02/09/31/655020931.db2.gz FFYMJJSGZNOCDF-AWEZNQCLSA-N 1 0 399.329 2.952 20 0 GFADRO Cc1cc(CN2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)sc1Br ZINC000093821146 655021246 /nfs/dbraw/zinc/02/12/46/655021246.db2.gz VQJUUCLRIHQCRY-AWEZNQCLSA-N 1 0 386.359 2.557 20 0 GFADRO COc1ccc(CC[NH2+]Cc2c(C)cc(Cl)cc2C)cc1S(N)(=O)=O ZINC000094013875 655025982 /nfs/dbraw/zinc/02/59/82/655025982.db2.gz LRWYESWGEWRMPK-UHFFFAOYSA-N 1 0 382.913 2.945 20 0 GFADRO O=C(c1cnn2cc(Br)cnc12)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000094101299 655027364 /nfs/dbraw/zinc/02/73/64/655027364.db2.gz NPVGKEUEVDUCKC-CQSZACIVSA-N 1 0 392.301 2.582 20 0 GFADRO CNC(=O)C1CCC([NH2+]Cc2cn(-c3cccc(Cl)c3Cl)nn2)CC1 ZINC000269917086 655027363 /nfs/dbraw/zinc/02/73/63/655027363.db2.gz ABGYEJSAFRUQLA-UHFFFAOYSA-N 1 0 382.295 2.969 20 0 GFADRO CC[NH+](CC)Cc1ccccc1CNS(=O)(=O)c1c(C)nn(C)c1Cl ZINC000096997198 655032745 /nfs/dbraw/zinc/03/27/45/655032745.db2.gz NCYOURJLWIRAEF-UHFFFAOYSA-N 1 0 384.933 2.702 20 0 GFADRO C[NH+](C)CCOc1cc(C(=O)NCc2cc(F)ccc2Br)ccn1 ZINC000136543537 655033228 /nfs/dbraw/zinc/03/32/28/655033228.db2.gz HECAJNCQTYGXFR-UHFFFAOYSA-N 1 0 396.260 2.854 20 0 GFADRO CO[C@@H](C)CC(=O)NC1CC[NH+](CCOc2ccc(Br)cc2)CC1 ZINC000136695891 655034247 /nfs/dbraw/zinc/03/42/47/655034247.db2.gz KGNUBFKPYZLAHQ-AWEZNQCLSA-N 1 0 399.329 2.834 20 0 GFADRO Cc1cc(C[N@@H+]2CCC[C@@H](C(=O)Nc3ccc(Br)cn3)C2)on1 ZINC000097503929 655035579 /nfs/dbraw/zinc/03/55/79/655035579.db2.gz LSCPLWPPGLFUJK-GFCCVEGCSA-N 1 0 379.258 2.991 20 0 GFADRO CC[NH+](CC)CC(=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000098081144 655039595 /nfs/dbraw/zinc/03/95/95/655039595.db2.gz STKQVLLSLPNKLF-UHFFFAOYSA-N 1 0 378.826 2.744 20 0 GFADRO O=S(=O)(Cc1ccc(Cl)nc1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000101568198 655044114 /nfs/dbraw/zinc/04/41/14/655044114.db2.gz KFPJDBYZDOOATM-UHFFFAOYSA-N 1 0 379.913 2.819 20 0 GFADRO COc1ccc(CNC(=O)NC[C@@H](C)C[NH+]2CCCC2)cc1Br ZINC000101984386 655049437 /nfs/dbraw/zinc/04/94/37/655049437.db2.gz XKSUHQWKJXFYJE-CYBMUJFWSA-N 1 0 384.318 2.989 20 0 GFADRO C[N@@H+]1CC[C@@H](CNC(=O)CN2CCSC2=O)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000270603661 655050369 /nfs/dbraw/zinc/05/03/69/655050369.db2.gz HDSBWYWIIFCHKV-LRDDRELGSA-N 1 0 385.892 2.757 20 0 GFADRO CC(C)c1cc(Br)ccc1NC(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000270621873 655051158 /nfs/dbraw/zinc/05/11/58/655051158.db2.gz OZLYGEYGZYBENB-AWEZNQCLSA-N 1 0 383.334 2.940 20 0 GFADRO CC[C@@](C)(CC(=O)OC)[NH2+]CC(=O)NCCc1cccc(Cl)c1Cl ZINC000151572194 655052717 /nfs/dbraw/zinc/05/27/17/655052717.db2.gz RFDUTERYDLOKIS-KRWDZBQOSA-N 1 0 375.296 2.974 20 0 GFADRO CC(C)CC[C@@H](C)[NH2+][C@@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000151606544 655052961 /nfs/dbraw/zinc/05/29/61/655052961.db2.gz LLRSOUSBFPUFMT-CABCVRRESA-N 1 0 390.571 2.888 20 0 GFADRO CC(C)CC[C@H](C)[NH2+][C@@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000151606611 655052968 /nfs/dbraw/zinc/05/29/68/655052968.db2.gz LLRSOUSBFPUFMT-GJZGRUSLSA-N 1 0 390.571 2.888 20 0 GFADRO COc1ccccc1C[N@H+](CCO)C[C@H](O)c1ccccc1Br ZINC000152369006 655058493 /nfs/dbraw/zinc/05/84/93/655058493.db2.gz QHBDRYCSMQOXFZ-KRWDZBQOSA-N 1 0 380.282 2.986 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)c1coc(Br)c1 ZINC000270877352 655058709 /nfs/dbraw/zinc/05/87/09/655058709.db2.gz OYBJKGNZKKJJBC-HZPDHXFCSA-N 1 0 393.281 2.655 20 0 GFADRO COc1ccccc1C[N@H+](CCO)C[C@@H](O)c1ccccc1Br ZINC000152369106 655058737 /nfs/dbraw/zinc/05/87/37/655058737.db2.gz QHBDRYCSMQOXFZ-QGZVFWFLSA-N 1 0 380.282 2.986 20 0 GFADRO CC1(C)NC(=O)N(CCC[NH2+]C2(c3ccc(Br)cc3)CC2)C1=O ZINC000102924337 655063809 /nfs/dbraw/zinc/06/38/09/655063809.db2.gz VZLZCZUNXGJBCU-UHFFFAOYSA-N 1 0 380.286 2.748 20 0 GFADRO CC[NH+](CC)CCN(C(=O)c1ccc(Cl)cc1C)[C@H]1CCS(=O)(=O)C1 ZINC000271068089 655065664 /nfs/dbraw/zinc/06/56/64/655065664.db2.gz MQMVUZYVXKNICA-INIZCTEOSA-N 1 0 386.945 2.620 20 0 GFADRO O=C(N[C@@H](CO)c1ccc(Br)cc1)NC1CC[NH+](CC2CC2)CC1 ZINC000271104603 655066891 /nfs/dbraw/zinc/06/68/91/655066891.db2.gz ZLNGDFXZHYKOLH-KRWDZBQOSA-N 1 0 396.329 2.656 20 0 GFADRO CS[C@@H]1CN(C(=O)CCC(=O)CCC(=O)c2cccs2)C[C@H]1[NH+](C)C ZINC000271114611 655067059 /nfs/dbraw/zinc/06/70/59/655067059.db2.gz JOWNKVRLHBDIRH-RHSMWYFYSA-N 1 0 382.551 2.564 20 0 GFADRO CCS(=O)(=O)NCCC[NH2+][C@H](Cc1ccc(Cl)cc1)c1ccccn1 ZINC000271117107 655067117 /nfs/dbraw/zinc/06/71/17/655067117.db2.gz CFOQULJVCADNSB-GOSISDBHSA-N 1 0 381.929 2.938 20 0 GFADRO COc1cc(C[NH2+][C@H]2CCO[C@H](C)C2)cc(I)c1OC ZINC000271211625 655070704 /nfs/dbraw/zinc/07/07/04/655070704.db2.gz DGGUXUDTZUEMJQ-PWSUYJOCSA-N 1 0 391.249 2.966 20 0 GFADRO Cc1ccc(-n2nc(Br)cc2C(=O)NC[C@H]2CCC[N@H+]2C)cc1 ZINC000154603802 655077089 /nfs/dbraw/zinc/07/70/89/655077089.db2.gz VNPXMZRWUNMGAS-CQSZACIVSA-N 1 0 377.286 2.767 20 0 GFADRO CC(C)([NH2+]CC(=O)NCCCN1CCCC1=O)c1ccc(Cl)c(Cl)c1 ZINC000104681962 655084148 /nfs/dbraw/zinc/08/41/48/655084148.db2.gz AIGNVNVRJHYVDO-UHFFFAOYSA-N 1 0 386.323 2.947 20 0 GFADRO C[C@H](CC[S@](C)=O)[NH2+][C@@H](C)CC(=O)Nc1ccc(Br)cc1 ZINC000271541487 655084787 /nfs/dbraw/zinc/08/47/87/655084787.db2.gz UJUMCCCTUVTHNP-IDFMNXDXSA-N 1 0 375.332 2.913 20 0 GFADRO C[C@@H]1C[NH+](CCCNC(=O)[C@H](O)c2cc(Cl)cc(Cl)c2)C[C@@H](C)O1 ZINC000155764881 655087376 /nfs/dbraw/zinc/08/73/76/655087376.db2.gz FTBNRGZNZCRYGO-XHBSWPGZSA-N 1 0 375.296 2.642 20 0 GFADRO C[C@@H]([NH2+]CCc1ccccc1Br)c1ccc(S(N)(=O)=O)cc1 ZINC000271620361 655088511 /nfs/dbraw/zinc/08/85/11/655088511.db2.gz BPQZFWRKXJBXBP-GFCCVEGCSA-N 1 0 383.311 2.990 20 0 GFADRO CC[NH+](CC)CCNC(=O)C(=O)Nc1ccc2cc(Br)ccc2c1 ZINC000156093762 655089333 /nfs/dbraw/zinc/08/93/33/655089333.db2.gz BXKSJLMNQDETGT-UHFFFAOYSA-N 1 0 392.297 2.999 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)Nc2cccc(Br)c2)CC1=O ZINC000105316013 655090446 /nfs/dbraw/zinc/09/04/46/655090446.db2.gz LSLLKWSIIRTILN-CZUORRHYSA-N 1 0 394.313 2.720 20 0 GFADRO O=S(=O)(CC[NH2+][C@@H](CCO)c1ccccc1)c1cccc(Br)c1 ZINC000271681415 655091157 /nfs/dbraw/zinc/09/11/57/655091157.db2.gz OYCILFXLWIVVOW-KRWDZBQOSA-N 1 0 398.322 2.936 20 0 GFADRO CC(=O)Nc1ccc(CC[NH2+][C@H](C(N)=O)c2ccc(Br)cc2)cc1 ZINC000105402545 655092752 /nfs/dbraw/zinc/09/27/52/655092752.db2.gz SRYKXDLJTWRLQE-KRWDZBQOSA-N 1 0 390.281 2.766 20 0 GFADRO C[N@@H+]1CC[C@H](CNC(=O)c2ccc(Cl)c(I)c2)C1 ZINC000105566467 655095030 /nfs/dbraw/zinc/09/50/30/655095030.db2.gz HQQUCEVAUXKEEM-SECBINFHSA-N 1 0 378.641 2.626 20 0 GFADRO CS[C@H]1CN(Cc2nnc(-c3ccc(Br)o3)o2)C[C@H]1[NH+](C)C ZINC000271989039 655100280 /nfs/dbraw/zinc/10/02/80/655100280.db2.gz GAECXAGMQQKQGJ-KOLCDFICSA-N 1 0 387.303 2.570 20 0 GFADRO C[N@H+]1CC=C(CNC(=O)N[C@H]2CCN(c3ccc(Br)cc3)C2)CC1 ZINC000272110545 655103208 /nfs/dbraw/zinc/10/32/08/655103208.db2.gz QJVHXBQYRMPCJU-INIZCTEOSA-N 1 0 393.329 2.589 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)C2(c3ccc(Br)cc3)CCOCC2)C1 ZINC000272174133 655105038 /nfs/dbraw/zinc/10/50/38/655105038.db2.gz CITFGTXULFEOCX-KGLIPLIRSA-N 1 0 381.314 2.693 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCN(C(=O)CCc2nc(-c3cc(Br)cs3)no2)C1 ZINC000272305595 655108528 /nfs/dbraw/zinc/10/85/28/655108528.db2.gz RDWNEBRMGWLEHH-UWVGGRQHSA-N 1 0 399.314 2.689 20 0 GFADRO C[NH+](C)C1(C(=O)N2CCN(C(=O)c3cccc(Cl)c3Cl)CC2)CCC1 ZINC000158750537 655108788 /nfs/dbraw/zinc/10/87/88/655108788.db2.gz DDQKQLZITZRTAT-UHFFFAOYSA-N 1 0 384.307 2.762 20 0 GFADRO O=C(c1cnn(-c2cccc(Br)c2)c1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000106767642 655110789 /nfs/dbraw/zinc/11/07/89/655110789.db2.gz WNEABUKTQOZQTD-KRWDZBQOSA-N 1 0 389.297 2.945 20 0 GFADRO [NH3+]C[C@H](NC(=O)c1cnn(-c2ncccc2Cl)c1C(F)(F)Cl)C1CC1 ZINC000159121908 655112132 /nfs/dbraw/zinc/11/21/32/655112132.db2.gz DQRXKUSUQAFOMI-NSHDSACASA-N 1 0 390.221 2.676 20 0 GFADRO COC(=O)c1cc(NC(=O)N2CC[C@H]3CC[N@H+](C)C[C@@H]32)ccc1Br ZINC000272436922 655112617 /nfs/dbraw/zinc/11/26/17/655112617.db2.gz OAANNCUOVRHBRS-ABAIWWIYSA-N 1 0 396.285 2.794 20 0 GFADRO COC(=O)Cc1sc(NC(=O)[C@H]([NH3+])CCSC)nc1-c1ccccc1 ZINC000272445827 655112906 /nfs/dbraw/zinc/11/29/06/655112906.db2.gz LWCIZBBKNJCWJU-GFCCVEGCSA-N 1 0 379.507 2.545 20 0 GFADRO O=S(=O)(NCC1CC[NH+](Cc2ccccc2Cl)CC1)N1CCCCC1 ZINC000106896004 655113893 /nfs/dbraw/zinc/11/38/93/655113893.db2.gz ALYKIEUFXGBKBI-UHFFFAOYSA-N 1 0 385.961 2.872 20 0 GFADRO C[NH+](C)[C@@H]1CCCN(C(=O)c2cnn(-c3cccc(Br)c3)c2)C1 ZINC000106916119 655114844 /nfs/dbraw/zinc/11/48/44/655114844.db2.gz YFKNUYNOGXBGOQ-MRXNPFEDSA-N 1 0 377.286 2.801 20 0 GFADRO Cc1sc2ncnc(SCC(=O)N3CC[C@H]4CC[N@@H+](C)C[C@H]43)c2c1C ZINC000272608943 655117152 /nfs/dbraw/zinc/11/71/52/655117152.db2.gz KAOYYXFWNMOFAT-ZIAGYGMSSA-N 1 0 376.551 2.953 20 0 GFADRO CS(=O)(=O)CCN1CCC([NH2+][C@@H]2CCSc3ccc(Cl)cc32)CC1 ZINC000159938253 655117926 /nfs/dbraw/zinc/11/79/26/655117926.db2.gz OWKJRDNJKBYTLS-MRXNPFEDSA-N 1 0 388.986 2.976 20 0 GFADRO COc1ccc(CNC(=O)NCC2(C)CC[NH+](C)CC2)cc1Br ZINC000272704626 655119791 /nfs/dbraw/zinc/11/97/91/655119791.db2.gz ZWZMQHDLLKLKAA-UHFFFAOYSA-N 1 0 384.318 2.989 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)NC1CC[NH+](C)CC1 ZINC000107342772 655120097 /nfs/dbraw/zinc/12/00/97/655120097.db2.gz DPSMVJVTVSMIDW-AWEZNQCLSA-N 1 0 384.567 2.561 20 0 GFADRO C[C@H](NC(=O)NCc1cc2c(c(Br)c1)OCO2)C1=CC[N@H+](C)CC1 ZINC000272788566 655121626 /nfs/dbraw/zinc/12/16/26/655121626.db2.gz SEOJQFALIOECRH-NSHDSACASA-N 1 0 396.285 2.627 20 0 GFADRO C[C@@H](NC(=O)/C=C/c1ccc(I)o1)C1=CC[N@H+](C)CC1 ZINC000272826693 655122313 /nfs/dbraw/zinc/12/23/13/655122313.db2.gz XSQUWOITVYUKNK-DUMNWFOQSA-N 1 0 386.233 2.664 20 0 GFADRO COc1cc([C@@H](C)[NH2+]C[C@H]2CCCC[C@@H]2O)ccc1S(=O)(=O)C(F)F ZINC000160566990 655123031 /nfs/dbraw/zinc/12/30/31/655123031.db2.gz QHLGGUNYJAFYMW-BNOWGMLFSA-N 1 0 377.453 2.893 20 0 GFADRO CC(C)Cc1nnc(NC(=O)C[NH2+][C@@H](C)c2ccc([S@@](C)=O)cc2)s1 ZINC000272903307 655124622 /nfs/dbraw/zinc/12/46/22/655124622.db2.gz GNXSGOBMCZMSBG-UOXLDJKESA-N 1 0 380.539 2.763 20 0 GFADRO O=C(CCc1ncc(-c2ccccc2Br)o1)NC[C@@H]1CC[NH2+]C1 ZINC000272995179 655127401 /nfs/dbraw/zinc/12/74/01/655127401.db2.gz GICGKKIUUVXOLD-GFCCVEGCSA-N 1 0 378.270 2.762 20 0 GFADRO C[C@H]1CCC[C@@](CNC(=O)c2sccc2S(=O)(=O)C(F)F)([NH+](C)C)C1 ZINC000108260906 655130136 /nfs/dbraw/zinc/13/01/36/655130136.db2.gz MYQBQGRACAZRLV-MEDUHNTESA-N 1 0 394.509 2.985 20 0 GFADRO O=C(N[C@H]1CC[N@H+](CC2CC2)C1)c1ccn(-c2cccc(Br)c2)n1 ZINC000108307203 655131016 /nfs/dbraw/zinc/13/10/16/655131016.db2.gz WJKRJLZLBCJFKW-HNNXBMFYSA-N 1 0 389.297 2.849 20 0 GFADRO C[C@H](C1CC1)N(C(=O)C[NH2+][C@H](CO)c1ccc(Br)cc1)C1CC1 ZINC000273149465 655132330 /nfs/dbraw/zinc/13/23/30/655132330.db2.gz WPVZAJKCYUTDOO-SJKOYZFVSA-N 1 0 381.314 2.862 20 0 GFADRO O=S(=O)(CCC[NH2+][C@H](CO)c1ccc(Br)cc1)c1ccccc1 ZINC000273151369 655132687 /nfs/dbraw/zinc/13/26/87/655132687.db2.gz XEEQYRSVZCHSAM-QGZVFWFLSA-N 1 0 398.322 2.936 20 0 GFADRO C[N@@H+]1CCC[C@H](CNC(=O)CNC(=O)c2sc3ccccc3c2Cl)C1 ZINC000108462258 655133204 /nfs/dbraw/zinc/13/32/04/655133204.db2.gz WZHPAOCVJGQGAY-GFCCVEGCSA-N 1 0 379.913 2.743 20 0 GFADRO C[NH+]1CCC(CC(=O)NC[C@@H](O)COc2cccc(Cl)c2Cl)CC1 ZINC000273184327 655134175 /nfs/dbraw/zinc/13/41/75/655134175.db2.gz HOPYOOZLVYNBBN-CYBMUJFWSA-N 1 0 375.296 2.581 20 0 GFADRO CC[C@H]([NH2+][C@H](C)C(=O)N(CC)[C@@H]1CCS(=O)(=O)C1)c1ccc(Cl)s1 ZINC000273226479 655135755 /nfs/dbraw/zinc/13/57/55/655135755.db2.gz CADPVYYOBQFMJO-UPJWGTAASA-N 1 0 392.974 2.866 20 0 GFADRO COC(=O)c1ccc(Cl)c(S(=O)(=O)N(CC[NH+](C)C)C2CCCC2)c1 ZINC000163773763 655136121 /nfs/dbraw/zinc/13/61/21/655136121.db2.gz ZATWWIQJAODYRR-UHFFFAOYSA-N 1 0 388.917 2.622 20 0 GFADRO COCCC[N@H+](C)CCNCc1ncc(Br)cc1Br ZINC000273246004 655136367 /nfs/dbraw/zinc/13/63/67/655136367.db2.gz VFFDPQMEBKDWFR-UHFFFAOYSA-N 1 0 395.139 2.665 20 0 GFADRO O[C@@H](COc1cc(Cl)ccc1Cl)C[NH+]1CCC(C2OCCO2)CC1 ZINC000171236852 655149973 /nfs/dbraw/zinc/14/99/73/655149973.db2.gz DPYHYLRFMNBRPD-CQSZACIVSA-N 1 0 376.280 2.818 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1cc(Br)ccc1F ZINC000109817968 655152614 /nfs/dbraw/zinc/15/26/14/655152614.db2.gz DFNSUMCFUNVSOL-LLVKDONJSA-N 1 0 379.295 2.741 20 0 GFADRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(OC)c(O)c2Br)[C@]12CCCO2 ZINC000273685781 655153993 /nfs/dbraw/zinc/15/39/93/655153993.db2.gz HBFXBKWLIAEDKO-JJRVBVJISA-N 1 0 386.286 2.980 20 0 GFADRO COc1ccc([C@H](CO)C[NH2+]Cc2c(Cl)n(C)nc2C(F)(F)F)cc1 ZINC000839184294 661075578 /nfs/dbraw/zinc/07/55/78/661075578.db2.gz FULSFWFSCARTSO-NSHDSACASA-N 1 0 377.794 2.967 20 0 GFADRO C[C@H]([NH3+])C1CCN(S(=O)(=O)c2ccc(Br)cc2Cl)CC1 ZINC000110648014 655158076 /nfs/dbraw/zinc/15/80/76/655158076.db2.gz XEFCMFRCTRVVNA-VIFPVBQESA-N 1 0 381.723 2.850 20 0 GFADRO COc1c(Br)cc(Br)cc1C[NH2+][C@H]1CCC(=O)NC1 ZINC000110911744 655161738 /nfs/dbraw/zinc/16/17/38/655161738.db2.gz IWOWXEFSUCOPPD-JTQLQIEISA-N 1 0 392.091 2.588 20 0 GFADRO C[C@H](CN1CCOCC1)[NH2+]Cc1nc(-c2cccc(Br)c2)c[nH]1 ZINC000111383276 655172233 /nfs/dbraw/zinc/17/22/33/655172233.db2.gz OCHNFKSRFYRMOO-CYBMUJFWSA-N 1 0 379.302 2.650 20 0 GFADRO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NC[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000173750794 655179321 /nfs/dbraw/zinc/17/93/21/655179321.db2.gz HPBKQVJREMFMCK-SJORKVTESA-N 1 0 389.323 2.936 20 0 GFADRO CC(C)(C)OC(=O)CS(=O)(=O)CC[NH2+][C@H]1CCCC[C@H]1CC(F)(F)F ZINC000839611041 661095624 /nfs/dbraw/zinc/09/56/24/661095624.db2.gz RRGJRFLDRPCFJM-STQMWFEESA-N 1 0 387.464 2.844 20 0 GFADRO CC[NH+](CC)C[C@@H]1CCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)C1 ZINC000173917412 655185385 /nfs/dbraw/zinc/18/53/85/655185385.db2.gz HHZUECBBHYHFEO-ZDUSSCGKSA-N 1 0 380.432 2.938 20 0 GFADRO CC[NH+](CC)C[C@H]1CCN(S(=O)(=O)c2ccccc2Br)C1 ZINC000173921748 655185505 /nfs/dbraw/zinc/18/55/05/655185505.db2.gz PQCMHUOVSUDKGB-CYBMUJFWSA-N 1 0 375.332 2.802 20 0 GFADRO CCC[NH+]1CCC(N2CCN(C(=O)Cc3sc(=S)[nH]c3C)CC2)CC1 ZINC000112325393 655188700 /nfs/dbraw/zinc/18/87/00/655188700.db2.gz LQKRGTWNQYEPNB-UHFFFAOYSA-N 1 0 382.599 2.675 20 0 GFADRO O=C(c1cccs1)N1CCC[N@@H+](C[C@H](O)COCc2cccs2)CC1 ZINC000112368581 655190200 /nfs/dbraw/zinc/19/02/00/655190200.db2.gz INNIZLDDQYJVAZ-HNNXBMFYSA-N 1 0 380.535 2.535 20 0 GFADRO C[N@@H+](C[C@H](O)c1cccc(Br)c1)C[C@H](O)COc1ccccc1 ZINC000839637288 661097280 /nfs/dbraw/zinc/09/72/80/661097280.db2.gz WPHHOYRSFSFNCR-WMZOPIPTSA-N 1 0 380.282 2.854 20 0 GFADRO Cc1cc(Br)c(F)cc1NC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000274549821 655192797 /nfs/dbraw/zinc/19/27/97/655192797.db2.gz UQMNPUIYWIJDBQ-HIFRSBDPSA-N 1 0 398.276 2.578 20 0 GFADRO Cc1nc2n(n1)C[C@@H]([NH2+][C@H](C)C(=O)Nc1ccc(C)cc1Br)CC2 ZINC000112549373 655193277 /nfs/dbraw/zinc/19/32/77/655193277.db2.gz VMJHUORMHCGJMN-YPMHNXCESA-N 1 0 392.301 2.589 20 0 GFADRO CCS(=O)(=O)c1c(Cl)cccc1C[NH2+][C@H]1CCC[C@@H](C(=O)N(C)C)C1 ZINC000274752146 655200050 /nfs/dbraw/zinc/20/00/50/655200050.db2.gz FGSPLDOJFMAPFM-HIFRSBDPSA-N 1 0 386.945 2.870 20 0 GFADRO Brc1ccc2ncnc(N3CCC[C@H](C[NH+]4CCOCC4)C3)c2c1 ZINC000112967305 655200473 /nfs/dbraw/zinc/20/04/73/655200473.db2.gz ZMNQALPAJDXHFQ-CQSZACIVSA-N 1 0 391.313 2.941 20 0 GFADRO COCCOCCOCCC[NH2+]Cc1cccc(Br)c1OC ZINC000274790418 655201899 /nfs/dbraw/zinc/20/18/99/655201899.db2.gz MIFWYCUUTBJBMJ-UHFFFAOYSA-N 1 0 376.291 2.617 20 0 GFADRO C[C@H](CNC(=O)Nc1ccc(F)c(Br)c1)C[NH+]1CCN(C)CC1 ZINC000174422357 655202078 /nfs/dbraw/zinc/20/20/78/655202078.db2.gz MECNVFDTXXUWHT-GFCCVEGCSA-N 1 0 387.297 2.593 20 0 GFADRO CC[C@H]1CN(C(=O)c2cc3cc(Br)ccc3[nH]2)CC[N@@H+]1C[C@@H](C)O ZINC000174593139 655204619 /nfs/dbraw/zinc/20/46/19/655204619.db2.gz HEZRGXSQEMPSQI-DOMZBBRYSA-N 1 0 394.313 2.848 20 0 GFADRO Cc1noc(C)c1C[NH2+]CCc1ccc(S(=O)(=O)N2CCCCC2)s1 ZINC000174601003 655204958 /nfs/dbraw/zinc/20/49/58/655204958.db2.gz DYHKJJPKKPZCIP-UHFFFAOYSA-N 1 0 383.539 2.860 20 0 GFADRO O=C(NCC[NH2+]Cc1ccc2c(c1)OCCO2)c1cccc(Br)c1 ZINC000113354590 655208541 /nfs/dbraw/zinc/20/85/41/655208541.db2.gz OITVIWNNOBTLPX-UHFFFAOYSA-N 1 0 391.265 2.740 20 0 GFADRO O=C(CC[N@@H+]1CCC[C@H]1C(=O)NC1CC1)Nc1ccc(Br)cc1 ZINC000113505561 655211391 /nfs/dbraw/zinc/21/13/91/655211391.db2.gz JCGXVYZVVZJXPM-HNNXBMFYSA-N 1 0 380.286 2.521 20 0 GFADRO C[NH+]1CCN(CCNc2nn3cc(-c4ccc(Cl)cc4)nc3s2)CC1 ZINC000275028586 655212118 /nfs/dbraw/zinc/21/21/18/655212118.db2.gz JVMJNMCOIUZARN-UHFFFAOYSA-N 1 0 376.917 2.771 20 0 GFADRO C[NH2+]C(C)(C)CNC(=O)Nc1ccnn1Cc1ccc(Br)cc1 ZINC000275199110 655222508 /nfs/dbraw/zinc/22/25/08/655222508.db2.gz HMAVJHNMBXYGKY-UHFFFAOYSA-N 1 0 380.290 2.813 20 0 GFADRO C[C@H]([NH2+][C@@H](c1nccn1C)c1ccc(Cl)cc1)C1CCS(=O)(=O)CC1 ZINC000275302741 655228189 /nfs/dbraw/zinc/22/81/89/655228189.db2.gz IHKZDWRSTBERNM-SUMWQHHRSA-N 1 0 381.929 2.966 20 0 GFADRO COCCOCCOCCC[NH2+][C@H](C)c1ncc(Br)cc1F ZINC000275357258 655231629 /nfs/dbraw/zinc/23/16/29/655231629.db2.gz RZCSXIDVZCJTKN-GFCCVEGCSA-N 1 0 379.270 2.704 20 0 GFADRO CC1CC[NH+](CCCCNC(=O)c2cc(I)c[nH]2)CC1 ZINC000115334608 655235414 /nfs/dbraw/zinc/23/54/14/655235414.db2.gz RQMKEZBWQZPQOH-UHFFFAOYSA-N 1 0 389.281 2.861 20 0 GFADRO C[NH+](C)CCOc1ccc(NC(=O)c2cc(I)c[nH]2)cc1 ZINC000115337604 655235671 /nfs/dbraw/zinc/23/56/71/655235671.db2.gz BPJAFVNJVJJLBD-UHFFFAOYSA-N 1 0 399.232 2.812 20 0 GFADRO COc1cc(C(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)cc(OC)c1Br ZINC000115442336 655237582 /nfs/dbraw/zinc/23/75/82/655237582.db2.gz UEFNWGZHQUVMFH-GFCCVEGCSA-N 1 0 385.302 2.880 20 0 GFADRO CN(C[C@H]1CCC[N@H+](C)C1)S(=O)(=O)c1ccc(F)cc1Br ZINC000115585940 655239505 /nfs/dbraw/zinc/23/95/05/655239505.db2.gz ZLJAJXHFXFJOBV-NSHDSACASA-N 1 0 379.295 2.551 20 0 GFADRO Cn1cncc1[C@@H]1C[C@@H]([NH2+]Cc2cc3c(c(Br)c2)OCO3)CCO1 ZINC000275525173 655240176 /nfs/dbraw/zinc/24/01/76/655240176.db2.gz LJRSRRQHWJIQNV-WFASDCNBSA-N 1 0 394.269 2.921 20 0 GFADRO C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)c2c[nH+]ccc2N)CC1 ZINC000275600771 655243559 /nfs/dbraw/zinc/24/35/59/655243559.db2.gz FVJYULLRYZSYES-ZDUSSCGKSA-N 1 0 389.297 2.945 20 0 GFADRO O=C(C[C@@H]1Sc2ccc(Cl)cc2NC1=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000116195049 655245887 /nfs/dbraw/zinc/24/58/87/655245887.db2.gz SQHXWFVUGFGEMT-INIZCTEOSA-N 1 0 379.913 2.840 20 0 GFADRO CCO[C@@H]1C[C@]([NH3+])(C(=O)NC[C@@H](C)Oc2ccc(Br)cc2)C1(C)C ZINC000275690722 655247033 /nfs/dbraw/zinc/24/70/33/655247033.db2.gz DKCAVRZLJTULHL-DWQUBVKVSA-N 1 0 399.329 2.865 20 0 GFADRO COCCOC1CC[NH+](C[C@@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000116886303 655255612 /nfs/dbraw/zinc/25/56/12/655255612.db2.gz CIHHJBQJQUVNHC-CQSZACIVSA-N 1 0 378.296 2.861 20 0 GFADRO Cc1cc(Br)c(F)cc1NC(=O)C(=O)N[C@H](C)C1=CC[N@H+](C)CC1 ZINC000276050514 655259996 /nfs/dbraw/zinc/25/99/96/655259996.db2.gz KCMAXJRUXYIMNQ-LLVKDONJSA-N 1 0 398.276 2.602 20 0 GFADRO CCO[C@H](CC[NH+](C)C)CNC(=O)[C@@H](C)Oc1cccc(Br)c1 ZINC000176903040 655260114 /nfs/dbraw/zinc/26/01/14/655260114.db2.gz LMBRTEQXTMXTIE-CZUORRHYSA-N 1 0 387.318 2.689 20 0 GFADRO CC[C@@H](Cc1cccc(Br)c1)C(=O)NC[C@H](C)N1CC[NH+](C)CC1 ZINC000117259883 655262580 /nfs/dbraw/zinc/26/25/80/655262580.db2.gz VQRSZBWTMWDCAH-RDJZCZTQSA-N 1 0 396.373 2.770 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000276107275 655262678 /nfs/dbraw/zinc/26/26/78/655262678.db2.gz RBCIIOAHKWJDHJ-IUODEOHRSA-N 1 0 396.329 2.891 20 0 GFADRO COc1ccc(C[NH+]2CCC(CNC(=O)[C@@H]3CSCCS3)CC2)cc1 ZINC000177054384 655266487 /nfs/dbraw/zinc/26/64/87/655266487.db2.gz JKNINLQTUBBHNK-SFHVURJKSA-N 1 0 380.579 2.872 20 0 GFADRO C[C@H]1C[C@@H](NC(=O)c2cc(Br)c3c(c2)OCCO3)C[N@@H+]1C1CC1 ZINC000177120705 655269230 /nfs/dbraw/zinc/26/92/30/655269230.db2.gz KJGOUAXOZWJAAO-CMPLNLGQSA-N 1 0 381.270 2.575 20 0 GFADRO C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000177131938 655269534 /nfs/dbraw/zinc/26/95/34/655269534.db2.gz SZDVOKXQPAXMKA-ZDUSSCGKSA-N 1 0 388.339 2.903 20 0 GFADRO C[N@H+](CCNC(=O)C(=O)Nc1ccccc1Br)C1CCCCC1 ZINC000118099484 655271855 /nfs/dbraw/zinc/27/18/55/655271855.db2.gz MVIYQRBOWCFKRL-UHFFFAOYSA-N 1 0 382.302 2.768 20 0 GFADRO C[N@H+](CCNC(=O)C(=O)Nc1cccc(Br)c1)C1CCCCC1 ZINC000118100343 655271875 /nfs/dbraw/zinc/27/18/75/655271875.db2.gz SPNSYJHUPKIDJT-UHFFFAOYSA-N 1 0 382.302 2.768 20 0 GFADRO COC(=O)[C@]1(C)CC[N@@H+]([C@@H](C)C(=O)N(C)Cc2ccc(Br)cc2)C1 ZINC000177422183 655276239 /nfs/dbraw/zinc/27/62/39/655276239.db2.gz XKUOKAATMJQNGF-SCLBCKFNSA-N 1 0 397.313 2.681 20 0 GFADRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)c2csc(I)c2)C1 ZINC000177545547 655280704 /nfs/dbraw/zinc/28/07/04/655280704.db2.gz MYGCXYRTOYAOHM-MNOVXSKESA-N 1 0 378.279 2.955 20 0 GFADRO COCC[N@@H+]1CC[C@H](NC(=O)Nc2cccc(Cl)c2Br)C1 ZINC000276713393 655284609 /nfs/dbraw/zinc/28/46/09/655284609.db2.gz DSQMLFLQJAOYIQ-JTQLQIEISA-N 1 0 376.682 2.945 20 0 GFADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1I ZINC000177800127 655288503 /nfs/dbraw/zinc/28/85/03/655288503.db2.gz PYMOPCWDHXMGHX-OLZOCXBDSA-N 1 0 384.261 2.990 20 0 GFADRO CC(C)(CNC(=O)CN1C(=S)N=NC1c1cccs1)C[NH+]1CCCC1 ZINC000276898485 655292205 /nfs/dbraw/zinc/29/22/05/655292205.db2.gz RVNLBMXNPFJYLG-UHFFFAOYSA-N 1 0 379.555 2.534 20 0 GFADRO COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000276952746 655294977 /nfs/dbraw/zinc/29/49/77/655294977.db2.gz LIVAIVIACFDZND-XPTSAGLGSA-N 1 0 386.279 2.539 20 0 GFADRO C[NH+]1CCN(Cc2cccc(NC(=O)c3nc(Br)cs3)c2)CC1 ZINC000119292255 655297242 /nfs/dbraw/zinc/29/72/42/655297242.db2.gz GHICAPHZDBCSKA-UHFFFAOYSA-N 1 0 395.326 2.905 20 0 GFADRO C[C@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH2+]CCS(C)(=O)=O ZINC000178136313 655298473 /nfs/dbraw/zinc/29/84/73/655298473.db2.gz GXRGFEBCZMPSRD-SECBINFHSA-N 1 0 386.823 2.710 20 0 GFADRO C[NH+](C)[C@H]1CCCN(S(=O)(=O)c2cc(Br)c(F)cc2F)CC1 ZINC000277020035 655298838 /nfs/dbraw/zinc/29/88/38/655298838.db2.gz MTIYRFUMGGBAMS-JTQLQIEISA-N 1 0 397.285 2.832 20 0 GFADRO CS(=O)(=O)[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CSCCN1Cc1ccccc1 ZINC000277063591 655301155 /nfs/dbraw/zinc/30/11/55/655301155.db2.gz IFOYOMFDCWOSAU-GUDVDZBRSA-N 1 0 382.595 2.549 20 0 GFADRO O=S(=O)(C1CC1)N1CCC([NH2+]Cc2ccc(Br)c(F)c2)CC1 ZINC000119381605 655301709 /nfs/dbraw/zinc/30/17/09/655301709.db2.gz NUQFSMGJYWBUSV-UHFFFAOYSA-N 1 0 391.306 2.634 20 0 GFADRO C[C@H]([NH3+])CCNC(=O)c1ccc(NC(=O)c2ccc(Br)o2)cc1 ZINC000178627762 655306290 /nfs/dbraw/zinc/30/62/90/655306290.db2.gz SBRVLHVAVYKRJV-JTQLQIEISA-N 1 0 380.242 2.762 20 0 GFADRO C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CCN1CCOC(C)(C)C1 ZINC000178765047 655309599 /nfs/dbraw/zinc/30/95/99/655309599.db2.gz TVIXZLXZBISDAL-AWEZNQCLSA-N 1 0 398.345 2.867 20 0 GFADRO COCCNS(=O)(=O)c1cccc(C[NH2+][C@H]2CS[C@@H](C(C)(C)C)C2)c1 ZINC000277293931 655311603 /nfs/dbraw/zinc/31/16/03/655311603.db2.gz RLSFUBCRRUEISV-NVXWUHKLSA-N 1 0 386.583 2.621 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(C)cc2Br)[C@H](C)C1 ZINC000119755040 655313780 /nfs/dbraw/zinc/31/37/80/655313780.db2.gz IVFYVCDVLVFYFS-CZUORRHYSA-N 1 0 396.329 2.885 20 0 GFADRO CCCN(C)S(=O)(=O)N(CC[NH+](C)C)Cc1ccc(C(F)(F)F)cc1 ZINC000119940884 655322207 /nfs/dbraw/zinc/32/22/07/655322207.db2.gz JXKMEKLZDMRSOG-UHFFFAOYSA-N 1 0 381.464 2.656 20 0 GFADRO C[C@H]([NH2+]C[C@H](O)c1cc2ccccc2s1)c1ccc(S(N)(=O)=O)cc1 ZINC000180152429 655322743 /nfs/dbraw/zinc/32/27/43/655322743.db2.gz CWTPCSUBXHAEBS-LRDDRELGSA-N 1 0 376.503 2.933 20 0 GFADRO Cc1cc(C(=O)N2CCC(C[NH+]3CCN(C)CC3)CC2)ccc1Br ZINC000119990035 655324280 /nfs/dbraw/zinc/32/42/80/655324280.db2.gz BCYKGJYRPVBGIV-UHFFFAOYSA-N 1 0 394.357 2.857 20 0 GFADRO C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)Nc1cc(Br)ccc1F ZINC000120103513 655327796 /nfs/dbraw/zinc/32/77/96/655327796.db2.gz NAYBPQOJXLJCJQ-LLVKDONJSA-N 1 0 386.265 2.517 20 0 GFADRO Cc1ccc(F)c(NC(=O)C(=O)N[C@H](C)C2=CC[N@H+](C)CC2)c1Br ZINC000281126089 655332320 /nfs/dbraw/zinc/33/23/20/655332320.db2.gz VSCQNUCZSKUHFS-LLVKDONJSA-N 1 0 398.276 2.602 20 0 GFADRO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)c1nc(Br)cs1 ZINC000120249769 655332650 /nfs/dbraw/zinc/33/26/50/655332650.db2.gz LWQJHRMBRPVDOM-UHFFFAOYSA-N 1 0 381.299 2.947 20 0 GFADRO COc1ccc(Br)cc1C(=O)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000120475574 655336823 /nfs/dbraw/zinc/33/68/23/655336823.db2.gz DYJKTAOCRRFVJA-UHFFFAOYSA-N 1 0 398.345 2.556 20 0 GFADRO CC(C)CO[C@@H]1C[C@H]([NH2+]C2CCN(S(=O)(=O)C(F)(F)F)CC2)C1(C)C ZINC000181884251 655340989 /nfs/dbraw/zinc/34/09/89/655340989.db2.gz OZEQSAFKZZWBBE-UONOGXRCSA-N 1 0 386.480 2.730 20 0 GFADRO CN(Cc1ccccc1Br)C(=O)CN1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000120687575 655342373 /nfs/dbraw/zinc/34/23/73/655342373.db2.gz JWKWGXODXQFNMR-QGZVFWFLSA-N 1 0 394.357 2.968 20 0 GFADRO Cc1cc(NC(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)cnc1Br ZINC000182415434 655343995 /nfs/dbraw/zinc/34/39/95/655343995.db2.gz NYEOITZZMNPNFH-AWEZNQCLSA-N 1 0 385.306 2.727 20 0 GFADRO C[N@H+](CCc1ccc(S(N)(=O)=O)cc1)Cc1ccc(Br)s1 ZINC000120898340 655346487 /nfs/dbraw/zinc/34/64/87/655346487.db2.gz ANXVRRMTAPLSFC-UHFFFAOYSA-N 1 0 389.340 2.833 20 0 GFADRO C[C@@H](Oc1ccc(Br)cc1)C(=O)NCCC[NH2+]Cc1cccnc1 ZINC000120901796 655346507 /nfs/dbraw/zinc/34/65/07/655346507.db2.gz YWDNLWPYHKRDSO-CQSZACIVSA-N 1 0 392.297 2.908 20 0 GFADRO C[C@H]1C[C@@H](C(=O)N[C@H]2CCN(c3ccc(Br)cc3)C2)CC[N@@H+]1C ZINC000290249592 655349739 /nfs/dbraw/zinc/34/97/39/655349739.db2.gz CQMTXQHKPRCMRB-DZKIICNBSA-N 1 0 380.330 2.874 20 0 GFADRO Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)N1C[C@H]([NH+]2CCCC2)C[C@@H]1C ZINC000291061673 655350021 /nfs/dbraw/zinc/35/00/21/655350021.db2.gz NECVQLCGJHHIEH-CMPLNLGQSA-N 1 0 378.826 2.949 20 0 GFADRO CCCC[N@H+](C)C[C@@H](C)NC(=O)NCc1ccc(S(C)(=O)=O)c(Cl)c1 ZINC000292515563 655351692 /nfs/dbraw/zinc/35/16/92/655351692.db2.gz OSJRWWZOUWECIL-CYBMUJFWSA-N 1 0 389.949 2.663 20 0 GFADRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)NC2CC[NH+](CC3CC3)CC2)c1 ZINC000183518074 655351875 /nfs/dbraw/zinc/35/18/75/655351875.db2.gz BDYFYOPSQIETKE-UHFFFAOYSA-N 1 0 387.889 2.709 20 0 GFADRO CC[N@H+](C)C[C@@H]1CCN(Cn2nc3ccc(Br)cn3c2=S)C1 ZINC000840015310 661124576 /nfs/dbraw/zinc/12/45/76/661124576.db2.gz NADGSKBXEWLNRH-LBPRGKRZSA-N 1 0 384.347 2.859 20 0 GFADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)C1(Cc2ccccc2Br)CC1 ZINC000292724420 655353949 /nfs/dbraw/zinc/35/39/49/655353949.db2.gz ITWQNEVHAVBKPD-HNNXBMFYSA-N 1 0 394.357 2.524 20 0 GFADRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@@H](CO)c2cccc(Br)c2)c1 ZINC000183890989 655354289 /nfs/dbraw/zinc/35/42/89/655354289.db2.gz IMEVPKNGLTXEQA-HOTGVXAUSA-N 1 0 381.226 2.714 20 0 GFADRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)c1nn(C)cc1Br ZINC000292812313 655354680 /nfs/dbraw/zinc/35/46/80/655354680.db2.gz ZLBUKQOVEDQVTP-UHFFFAOYSA-N 1 0 379.302 2.953 20 0 GFADRO O[C@@H](COc1ccc(Cl)cc1Br)C[N@@H+]1CCC[C@H](O)CC1 ZINC000292899852 655356519 /nfs/dbraw/zinc/35/65/19/655356519.db2.gz AGRSRIDQMYRTRV-QWHCGFSZSA-N 1 0 378.694 2.689 20 0 GFADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)c1cc(Cl)c(F)cc1Cl ZINC000292926929 655357273 /nfs/dbraw/zinc/35/72/73/655357273.db2.gz CFWKDVQNNBYSIK-OAHLLOKOSA-N 1 0 390.286 2.805 20 0 GFADRO Cc1[nH]c(=O)c(Br)cc1C(=O)N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC000293628499 655360380 /nfs/dbraw/zinc/36/03/80/655360380.db2.gz GFRGLRBYNJRHCD-NSHDSACASA-N 1 0 382.302 2.805 20 0 GFADRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)c3c(Cl)nccc3C(F)(F)F)[C@H]2C1 ZINC000293781539 655362022 /nfs/dbraw/zinc/36/20/22/655362022.db2.gz BSEGVCXLDJCMOY-NWDGAFQWSA-N 1 0 377.794 2.689 20 0 GFADRO C[C@@H]([NH2+]Cc1ccnc(Br)c1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000293787977 655362139 /nfs/dbraw/zinc/36/21/39/655362139.db2.gz MGMSREBVGUDKBA-GFCCVEGCSA-N 1 0 398.326 2.945 20 0 GFADRO Cc1cnc([C@H]([NH2+]C[C@](C)(O)c2ccc(S(C)(=O)=O)cc2)C2CC2)s1 ZINC000185283368 655363539 /nfs/dbraw/zinc/36/35/39/655363539.db2.gz VAHCUGSSIVHTIR-AEFFLSMTSA-N 1 0 380.535 2.803 20 0 GFADRO CN(Cc1cc(Br)cs1)C(=O)C[N@@H+]1CC[C@H](O)CC(C)(C)C1 ZINC000295610934 655366346 /nfs/dbraw/zinc/36/63/46/655366346.db2.gz YGAQQVUMVZQFNR-ZDUSSCGKSA-N 1 0 389.359 2.952 20 0 GFADRO C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1cc(Br)cc(F)c1[O-] ZINC000186588425 655370182 /nfs/dbraw/zinc/37/01/82/655370182.db2.gz UCXOMMURFSDYEU-OLZOCXBDSA-N 1 0 388.325 2.970 20 0 GFADRO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@H]1N2C(=O)c1nn(C)cc1Br ZINC000298211117 655373198 /nfs/dbraw/zinc/37/31/98/655373198.db2.gz YKGHCECDMTVCKQ-CZUORRHYSA-N 1 0 389.297 2.939 20 0 GFADRO O=C(COc1c(Cl)cccc1Cl)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000298601546 655373331 /nfs/dbraw/zinc/37/33/31/655373331.db2.gz ILYGGXXHWBXAMD-UHFFFAOYSA-N 1 0 387.307 2.943 20 0 GFADRO CCCC[C@@H](CNC(=O)OC(C)(C)C)[NH2+][C@@H](C)C1CCS(=O)(=O)CC1 ZINC000187300811 655373378 /nfs/dbraw/zinc/37/33/78/655373378.db2.gz SRLKMJKLSCSYHM-HOCLYGCPSA-N 1 0 376.563 2.873 20 0 GFADRO O=C1C[C@]2(CCOC2)CN1C[N@H+]1CC[C@H](Cc2ccc(Br)cc2)C1 ZINC000840082589 661130178 /nfs/dbraw/zinc/13/01/78/661130178.db2.gz DRWBLTMRVSVZFN-VQIMIIECSA-N 1 0 393.325 2.910 20 0 GFADRO CCN1CC[NH+](CCCCNC(=O)c2ccc(Br)cc2OC)CC1 ZINC000299617141 655377222 /nfs/dbraw/zinc/37/72/22/655377222.db2.gz KODQXZSDLDFVOB-UHFFFAOYSA-N 1 0 398.345 2.605 20 0 GFADRO O=C(NCC[NH+]1CCCCC1)c1nc(Br)ccc1Br ZINC000188729891 655381557 /nfs/dbraw/zinc/38/15/57/655381557.db2.gz DOZNCOIUVGPOEO-UHFFFAOYSA-N 1 0 391.107 2.822 20 0 GFADRO O=S(=O)(C(F)F)N1CCC(C[NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000189336113 655386117 /nfs/dbraw/zinc/38/61/17/655386117.db2.gz WEVOHXMJZRLNRG-NEPJUHHUSA-N 1 0 378.407 2.962 20 0 GFADRO O=C(c1cnn(-c2ccc(Br)cc2)c1)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000333815479 655388128 /nfs/dbraw/zinc/38/81/28/655388128.db2.gz JZVYWMYRDWTBFN-KRWDZBQOSA-N 1 0 375.270 2.603 20 0 GFADRO C[C@H]1CCC[N@H+](CCN2C(=O)CN(Cc3cccc(Br)c3)C2=O)C1 ZINC000349225114 655388500 /nfs/dbraw/zinc/38/85/00/655388500.db2.gz SJAFGTSIEDHPOF-AWEZNQCLSA-N 1 0 394.313 2.945 20 0 GFADRO C[C@@H]1CCC[N@H+](CCN2C(=O)CN(Cc3cccc(Br)c3)C2=O)C1 ZINC000349225116 655388579 /nfs/dbraw/zinc/38/85/79/655388579.db2.gz SJAFGTSIEDHPOF-CQSZACIVSA-N 1 0 394.313 2.945 20 0 GFADRO CC1CC[NH+](CCN2C(=O)N[C@H](c3ccc(Br)cc3)C2=O)CC1 ZINC000349238002 655388721 /nfs/dbraw/zinc/38/87/21/655388721.db2.gz XUVOZWYUGLFWHN-OAHLLOKOSA-N 1 0 380.286 2.774 20 0 GFADRO C[C@H]1CCC[N@H+](CCN2C(=O)N[C@H](c3ccc(Br)cc3)C2=O)C1 ZINC000349271444 655388865 /nfs/dbraw/zinc/38/88/65/655388865.db2.gz ORSVNNWNOLRYCS-SWLSCSKDSA-N 1 0 380.286 2.774 20 0 GFADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1[nH]c2ccccc2c1Br ZINC000365307991 655392924 /nfs/dbraw/zinc/39/29/24/655392924.db2.gz BKZOSUGHVWSFPG-RYUDHWBXSA-N 1 0 378.270 2.523 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)[C@H]2CCCN2C(=O)c2ccc(Cl)s2)C[N@@H+]1C1CC1 ZINC000365917163 655396653 /nfs/dbraw/zinc/39/66/53/655396653.db2.gz CVXFMHOGTBGMRO-MBNYWOFBSA-N 1 0 381.929 2.748 20 0 GFADRO O=C(C1CC[NH+](C2CC2)CC1)N1CCC(Cn2cc(Br)cn2)CC1 ZINC000365961161 655397193 /nfs/dbraw/zinc/39/71/93/655397193.db2.gz HVLTZMWUAMGPBP-UHFFFAOYSA-N 1 0 395.345 2.759 20 0 GFADRO Cn1nc(Br)cc1C(=O)N(CCCc1ccccc1)CC[NH+](C)C ZINC000191982884 655401876 /nfs/dbraw/zinc/40/18/76/655401876.db2.gz KDWNLJBZYDCHML-UHFFFAOYSA-N 1 0 393.329 2.819 20 0 GFADRO CC[N@H+](C)C[C@H]1CCN(Cn2c(=O)oc3cc(F)c(Br)cc32)C1 ZINC000192161065 655403025 /nfs/dbraw/zinc/40/30/25/655403025.db2.gz WIBWTFZCZMGULG-LLVKDONJSA-N 1 0 386.265 2.727 20 0 GFADRO C[C@@H]1CN(c2ccc(-c3ccc(Br)s3)nn2)[C@@H](C)C[N@@H+]1CCO ZINC000418997923 655406355 /nfs/dbraw/zinc/40/63/55/655406355.db2.gz LVBDEXHIVXACOY-NEPJUHHUSA-N 1 0 397.342 2.859 20 0 GFADRO C[C@H](CNC(=O)C(=O)N1CC[C@]2(CCC[NH2+]2)C1)c1c(Cl)cccc1Cl ZINC000419515792 655407036 /nfs/dbraw/zinc/40/70/36/655407036.db2.gz JRXLOQQSJNIGFB-KZULUSFZSA-N 1 0 384.307 2.568 20 0 GFADRO CS(=O)(=O)N[C@@H]1CCCC[C@@H]1C[NH2+]Cc1c(F)cccc1Br ZINC000512909043 655418140 /nfs/dbraw/zinc/41/81/40/655418140.db2.gz QNKKOTDFIAVCKY-IAQYHMDHSA-N 1 0 393.322 2.786 20 0 GFADRO CS(=O)(=O)N[C@@H]1CCCC[C@H]1C[NH2+]Cc1cc(Br)cs1 ZINC000512898928 655418247 /nfs/dbraw/zinc/41/82/47/655418247.db2.gz LXPLANAZTFLQAO-GXFFZTMASA-N 1 0 381.361 2.708 20 0 GFADRO C[NH+]1CCN(c2ccc(NC(=O)c3ncccc3Br)cc2)CC1 ZINC000195039986 655418718 /nfs/dbraw/zinc/41/87/18/655418718.db2.gz DVXHXMVEEWVUAY-UHFFFAOYSA-N 1 0 375.270 2.848 20 0 GFADRO COC(=O)[C@@H](C)C[N@H+](C)CCCOc1cccc(I)c1 ZINC000517841325 655418901 /nfs/dbraw/zinc/41/89/01/655418901.db2.gz GDSHWPWWXYCDRQ-LBPRGKRZSA-N 1 0 391.249 2.801 20 0 GFADRO C[C@@H](CNC(=O)c1cc(=O)[nH]c2c(Br)cccc12)[NH+]1CCCC1 ZINC000530941449 655420578 /nfs/dbraw/zinc/42/05/78/655420578.db2.gz DWMHGEMQLKFXRB-NSHDSACASA-N 1 0 378.270 2.917 20 0 GFADRO O=C(NC[C@H]1CCC[NH2+]C1)c1ccc(Br)cc1Br ZINC000232484956 655423845 /nfs/dbraw/zinc/42/38/45/655423845.db2.gz SFEOVQPEIWUEBA-VIFPVBQESA-N 1 0 376.092 2.941 20 0 GFADRO [NH3+]C[C@@H]1CCCN(C(=O)NCCc2c[nH]c3cccc(Br)c23)C1 ZINC000566058321 655424385 /nfs/dbraw/zinc/42/43/85/655424385.db2.gz VZTNNNJCNAIWIR-LBPRGKRZSA-N 1 0 379.302 2.853 20 0 GFADRO C=CCOc1c(Br)cc(C[NH2+][C@@H](C)CN2CCOCC2)cc1OC ZINC000237148229 655425772 /nfs/dbraw/zinc/42/57/72/655425772.db2.gz YUWKPWNYMIAFNB-AWEZNQCLSA-N 1 0 399.329 2.833 20 0 GFADRO COCCN(C)CC[NH2+]Cc1c(C)nn(-c2ccc(Br)cc2)c1C ZINC000237260237 655426038 /nfs/dbraw/zinc/42/60/38/655426038.db2.gz LDKDKIODEJJEJO-UHFFFAOYSA-N 1 0 395.345 2.919 20 0 GFADRO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000237747520 655426494 /nfs/dbraw/zinc/42/64/94/655426494.db2.gz ANFSVLBZCAVQTG-NSHDSACASA-N 1 0 379.254 2.675 20 0 GFADRO COc1ccc(Br)c(CNC(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000574297425 655428513 /nfs/dbraw/zinc/42/85/13/655428513.db2.gz WSBBFTASYDWBSK-SGMGOOAPSA-N 1 0 382.302 2.645 20 0 GFADRO Cc1ccc(C[NH2+]C2CCN(S(=O)(=O)C3CCOCC3)CC2)c(Cl)c1 ZINC000574330960 655429238 /nfs/dbraw/zinc/42/92/38/655429238.db2.gz BZTBMICDKLCPQT-UHFFFAOYSA-N 1 0 386.945 2.711 20 0 GFADRO FC(F)(F)Cn1cnn(CN2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1=S ZINC000246760404 655430564 /nfs/dbraw/zinc/43/05/64/655430564.db2.gz YBOGQJVZZYNKJW-JSGCOSHPSA-N 1 0 375.464 2.883 20 0 GFADRO C[C@@]1(F)C[NH2+]CCN(Cc2nc(-c3cc(Br)cs3)no2)C1 ZINC000574811705 655431239 /nfs/dbraw/zinc/43/12/39/655431239.db2.gz OYSMYRUPKADJLH-CYBMUJFWSA-N 1 0 375.267 2.694 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)c(C)c1CNC[C@@H]1C[NH2+]CCCO1 ZINC000574904635 655433278 /nfs/dbraw/zinc/43/32/78/655433278.db2.gz QKSDANKEMUZEQJ-KRWDZBQOSA-N 1 0 393.329 2.720 20 0 GFADRO C[C@H]([NH2+]Cc1ccc(N2CCOCC2)nc1)c1cncc(Br)c1 ZINC000575936010 655440366 /nfs/dbraw/zinc/44/03/66/655440366.db2.gz IPIXCMJZLJITMM-ZDUSSCGKSA-N 1 0 377.286 2.927 20 0 GFADRO [NH3+][C@H]1Cc2ccccc2N(CCS(=O)(=O)c2ccc(Br)cc2)C1 ZINC000261640881 655441606 /nfs/dbraw/zinc/44/16/06/655441606.db2.gz DCYNFUIELPKAGZ-HNNXBMFYSA-N 1 0 395.322 2.613 20 0 GFADRO CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)Nc1cnc2c(Br)cccn12 ZINC000575986444 655441664 /nfs/dbraw/zinc/44/16/64/655441664.db2.gz FGHWQEPBSRQTPP-GDKCJGSASA-N 1 0 393.285 2.568 20 0 GFADRO C[C@]([NH3+])(C(=O)N1CCc2ccc(O)cc2C1)c1ccc(Br)cc1 ZINC000261672712 655441748 /nfs/dbraw/zinc/44/17/48/655441748.db2.gz GELKNLOGFXHMHX-GOSISDBHSA-N 1 0 375.266 2.914 20 0 GFADRO COCCN(CC[NH+](C)C)Cc1cn(-c2ccc(Br)cc2)nc1C ZINC000576029736 655442124 /nfs/dbraw/zinc/44/21/24/655442124.db2.gz YDLVMPYLIHFOMY-UHFFFAOYSA-N 1 0 395.345 2.953 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CCCCN1S(=O)(=O)c1cccc(Cl)c1Br ZINC000261816354 655442500 /nfs/dbraw/zinc/44/25/00/655442500.db2.gz NAIDWUWCEZGHPV-MWLCHTKSSA-N 1 0 381.723 2.993 20 0 GFADRO CCCN(CC(=O)Nc1ccc(Cl)cc1Cl)C(=O)C[C@@H]1COCC[NH2+]1 ZINC000262022015 655443573 /nfs/dbraw/zinc/44/35/73/655443573.db2.gz YECZKJMEYIMKSY-CYBMUJFWSA-N 1 0 388.295 2.549 20 0 GFADRO OC[C@H](C[NH2+]C[C@H](O)COc1ccc(Br)cc1)c1ccccc1 ZINC000576160164 655444710 /nfs/dbraw/zinc/44/47/10/655444710.db2.gz ZUDJTBJWJNSGKC-RDJZCZTQSA-N 1 0 380.282 2.555 20 0 GFADRO O=S(=O)(Cc1ccc(Cl)cc1Br)NC[C@H]1CCC[NH2+]C1 ZINC000576158832 655444721 /nfs/dbraw/zinc/44/47/21/655444721.db2.gz CSRBGBVDCCVPIK-JTQLQIEISA-N 1 0 381.723 2.522 20 0 GFADRO C[C@H]([NH3+])C[C@H](C)NC(=O)CCC[S@](=O)c1ccc(Br)cc1 ZINC000576169862 655444983 /nfs/dbraw/zinc/44/49/83/655444983.db2.gz UWXPEFDDHAYKOT-OABGYEMISA-N 1 0 375.332 2.579 20 0 GFADRO O[C@@H](C[NH2+]CC1(c2ccc(Br)cc2Cl)CC1)Cn1cccn1 ZINC000576390090 655446548 /nfs/dbraw/zinc/44/65/48/655446548.db2.gz GUDJSRWDPUAQDK-ZDUSSCGKSA-N 1 0 384.705 2.981 20 0 GFADRO CC(C)[NH+](CCNS(=O)(=O)Cc1cccc(Br)c1)C(C)C ZINC000576524488 655448431 /nfs/dbraw/zinc/44/84/31/655448431.db2.gz ZVIYQDXRPDZKMQ-UHFFFAOYSA-N 1 0 377.348 2.987 20 0 GFADRO O=S(=O)(CC[NH2+]Cc1cnc(-c2ccncc2)s1)c1ccc(F)cc1 ZINC000576734008 655451857 /nfs/dbraw/zinc/45/18/57/655451857.db2.gz MSYRPAFDASZBKO-UHFFFAOYSA-N 1 0 377.466 2.908 20 0 GFADRO CC(C)[C@@H](C)[N@H+](C)CCC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1Cl ZINC000263932399 655454202 /nfs/dbraw/zinc/45/42/02/655454202.db2.gz ATDNNYYUMYYJNT-CYBMUJFWSA-N 1 0 389.949 2.895 20 0 GFADRO C[NH+]1CCN(c2ccc(Br)cc2NC(=O)[C@@H]2CCCOC2)CC1 ZINC000263943154 655454495 /nfs/dbraw/zinc/45/44/95/655454495.db2.gz WHWWQAYPNGQVIO-CYBMUJFWSA-N 1 0 382.302 2.566 20 0 GFADRO C[C@H](C[NH+]1CCCCC1)NS(=O)(=O)c1c(F)cccc1OC(F)(F)F ZINC000576968602 655455526 /nfs/dbraw/zinc/45/55/26/655455526.db2.gz AWNWZPVQZQSRML-LLVKDONJSA-N 1 0 384.395 2.877 20 0 GFADRO Cc1ccccc1OC[C@@H](O)C[NH2+]CCCCn1cc(Br)cn1 ZINC000576979356 655455867 /nfs/dbraw/zinc/45/58/67/655455867.db2.gz FRZNGSFOFYPRAL-INIZCTEOSA-N 1 0 382.302 2.764 20 0 GFADRO C[NH+](C)[C@@H]1CCCN(C(=O)Cc2csc(NC(=O)c3cccs3)n2)C1 ZINC000264117152 655457503 /nfs/dbraw/zinc/45/75/03/655457503.db2.gz HHDCBFUQXIXTFN-CYBMUJFWSA-N 1 0 378.523 2.552 20 0 GFADRO C[C@@H]([NH3+])[C@@H](C)NC(=O)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000577372461 655457968 /nfs/dbraw/zinc/45/79/68/655457968.db2.gz BQQZWKMSHNDBLT-NXEZZACHSA-N 1 0 378.826 2.822 20 0 GFADRO OC[C@@H](C[NH2+]C[C@@H](O)COc1ccc(Cl)cc1)Cc1ccncc1Cl ZINC000577396601 655458717 /nfs/dbraw/zinc/45/87/17/655458717.db2.gz WEYYCLNRMCZWKM-CZUORRHYSA-N 1 0 385.291 2.569 20 0 GFADRO C[N@H+]1CC=C(CNC(=O)C(=O)Nc2cc(Cl)c(Cl)c(Cl)c2)CC1 ZINC000577640984 655463508 /nfs/dbraw/zinc/46/35/08/655463508.db2.gz WIHZQDKPWIQMDX-UHFFFAOYSA-N 1 0 376.671 2.963 20 0 GFADRO Cc1ccc(C[N@H+]2CC[C@H](CN(C)CC(=O)N(C)CC(F)(F)F)C2)s1 ZINC000577638872 655463521 /nfs/dbraw/zinc/46/35/21/655463521.db2.gz CVXUEZIOIQFFJG-CQSZACIVSA-N 1 0 377.476 2.831 20 0 GFADRO CC[NH+](CC)CC[C@H](CO)NC(=O)C(C)(C)c1cccc(Br)c1 ZINC000577661319 655463940 /nfs/dbraw/zinc/46/39/40/655463940.db2.gz FCJOUZGMBNLEIK-MRXNPFEDSA-N 1 0 385.346 2.936 20 0 GFADRO C[C@H](CNC(=O)c1cnn(-c2ncccc2Cl)c1C(F)(F)F)[NH+](C)C ZINC000264481558 655464702 /nfs/dbraw/zinc/46/47/02/655464702.db2.gz VMIPSIFZPWWATE-SECBINFHSA-N 1 0 375.782 2.619 20 0 GFADRO C[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCC(C(=O)Nc2ccccc2Br)CC1 ZINC000577725293 655465792 /nfs/dbraw/zinc/46/57/92/655465792.db2.gz MADZADPLAMBVHS-GXTWGEPZSA-N 1 0 394.313 2.624 20 0 GFADRO O=C(C[C@H]1C[NH2+]CCO1)N1CCCC[C@@H]1Cc1cccc(Br)c1 ZINC000577749804 655466390 /nfs/dbraw/zinc/46/63/90/655466390.db2.gz UMOYHLLKCSOVTP-SJORKVTESA-N 1 0 381.314 2.751 20 0 GFADRO COc1ccc(C[NH2+]CCN2C(=O)c3ccccc3C2=O)cc1Br ZINC000577755218 655466570 /nfs/dbraw/zinc/46/65/70/655466570.db2.gz CFWYAJBNKRYGQN-UHFFFAOYSA-N 1 0 389.249 2.844 20 0 GFADRO C[C@H]([NH2+]CCCN1C(=O)NC2(CCCC2)C1=O)c1cncc(Br)c1 ZINC000577769704 655466716 /nfs/dbraw/zinc/46/67/16/655466716.db2.gz UDXQKUQXCBBUDX-LBPRGKRZSA-N 1 0 395.301 2.749 20 0 GFADRO CC(C)[N@H+](C)C[C@H](C)NC(=O)C(=O)Nc1ccc(Cl)c(OC(F)F)c1 ZINC000577787890 655467181 /nfs/dbraw/zinc/46/71/81/655467181.db2.gz JGFLDFKRYRXOEG-JTQLQIEISA-N 1 0 377.819 2.725 20 0 GFADRO C[C@@H](C[NH2+]C[C@H](c1ccccc1)N1CCc2sccc2C1)S(C)(=O)=O ZINC000577818766 655467745 /nfs/dbraw/zinc/46/77/45/655467745.db2.gz YQNNJCSQMHWBTJ-MAUKXSAKSA-N 1 0 378.563 2.870 20 0 GFADRO O=C(C[NH2+]C[C@H]1CCCO1)NCCc1cc(Cl)ccc1Br ZINC000577947753 655469993 /nfs/dbraw/zinc/46/99/93/655469993.db2.gz YRCPLYCKLVFIKO-CYBMUJFWSA-N 1 0 375.694 2.530 20 0 GFADRO CN(C[C@@H](O)c1cccc(Br)c1)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000840289497 661151839 /nfs/dbraw/zinc/15/18/39/661151839.db2.gz KYPKLKWXFXOFOF-QGZVFWFLSA-N 1 0 398.345 2.998 20 0 GFADRO CC[N@@H+]1CCCC[C@H]1CNC(=O)C[C@](O)(c1nc(C)cs1)C(F)(F)F ZINC000264787171 655470512 /nfs/dbraw/zinc/47/05/12/655470512.db2.gz XHVNLEHLNBNDBI-WFASDCNBSA-N 1 0 379.448 2.582 20 0 GFADRO [NH3+]CCc1ccccc1C(=O)N1CCOc2ccc(Br)cc2C1 ZINC000578139400 655473421 /nfs/dbraw/zinc/47/34/21/655473421.db2.gz IZZSMRHNOWSPEP-UHFFFAOYSA-N 1 0 375.266 2.985 20 0 GFADRO COc1cc(Br)ccc1[C@@H](C)NC(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000578235503 655474753 /nfs/dbraw/zinc/47/47/53/655474753.db2.gz INMLTMFWLVXGAX-GHMZBOCLSA-N 1 0 393.285 2.749 20 0 GFADRO O=S(=O)(c1cccc(Br)c1F)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000578236626 655474871 /nfs/dbraw/zinc/47/48/71/655474871.db2.gz DDHZIHYBMXQKCZ-VXGBXAGGSA-N 1 0 391.306 2.598 20 0 GFADRO OC[C@H](C[NH2+]C[C@@H](O)Cc1ccccc1)Cc1cccc(Br)c1 ZINC000578358879 655477158 /nfs/dbraw/zinc/47/71/58/655477158.db2.gz MHEWOWLPSHRRAH-HKUYNNGSSA-N 1 0 378.310 2.793 20 0 GFADRO C[C@H](NC(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1)c1ncc(Br)cn1 ZINC000578495120 655480278 /nfs/dbraw/zinc/48/02/78/655480278.db2.gz XNJSUYWLGLWTTG-RYUDHWBXSA-N 1 0 384.322 2.672 20 0 GFADRO O=S(=O)(c1ccc(Br)cc1F)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000578532586 655481299 /nfs/dbraw/zinc/48/12/99/655481299.db2.gz UGODDRPGXDJKOY-LBPRGKRZSA-N 1 0 391.306 2.598 20 0 GFADRO C[C@@H](CNC(=O)C(=O)Nc1cccc(C2SCCS2)c1)[N@H+](C)C1CC1 ZINC000265385082 655482545 /nfs/dbraw/zinc/48/25/45/655482545.db2.gz MEVXIEDZUHBVQG-LBPRGKRZSA-N 1 0 379.551 2.703 20 0 GFADRO O=S(=O)(c1cc(Cl)ccc1F)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000578663177 655484198 /nfs/dbraw/zinc/48/41/98/655484198.db2.gz PCLBQDQHOLICRG-UHFFFAOYSA-N 1 0 390.908 2.602 20 0 GFADRO Cc1ccc(CN(CCN2CC[NH2+]CC2)C[C@H]2CCCO2)c(Br)c1 ZINC000578893021 655488787 /nfs/dbraw/zinc/48/87/87/655488787.db2.gz OVYKJRCSFUXWIJ-GOSISDBHSA-N 1 0 396.373 2.644 20 0 GFADRO C[C@@H]([NH2+]C1C[C@@H](C)O[C@H](C)C1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000579067353 655492857 /nfs/dbraw/zinc/49/28/57/655492857.db2.gz WUIJMPKNXSFGHM-GMTAPVOTSA-N 1 0 391.331 2.703 20 0 GFADRO OC[C@@H]1CCC[C@H](C[NH2+]C[C@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000579109791 655494141 /nfs/dbraw/zinc/49/41/41/655494141.db2.gz XXUQBYNKULZJFY-ZENOOKHLSA-N 1 0 390.293 2.716 20 0 GFADRO C[C@H](C[NH+]1CCCCC1)NC(=O)N(C)C[C@H](O)c1cccc(Br)c1 ZINC000840253323 661149754 /nfs/dbraw/zinc/14/97/54/661149754.db2.gz LPXFAHRUDRTHGJ-PBHICJAKSA-N 1 0 398.345 2.998 20 0 GFADRO C[C@H]([NH3+])[C@H](C)NC(=O)c1ccccc1Sc1ccc(S(C)(=O)=O)cc1 ZINC000579247734 655496714 /nfs/dbraw/zinc/49/67/14/655496714.db2.gz UFJNAARGGVEHQE-STQMWFEESA-N 1 0 378.519 2.707 20 0 GFADRO CN(C(=O)c1cnnn1-c1c(Cl)cccc1Cl)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000579302569 655497422 /nfs/dbraw/zinc/49/74/22/655497422.db2.gz HXGRGDZHTWPQNS-GFCCVEGCSA-N 1 0 380.279 2.883 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)C[NH2+][C@H]1CCC1(C)C ZINC000579489568 655500342 /nfs/dbraw/zinc/50/03/42/655500342.db2.gz XRQCUWDIXUJIFE-HNNXBMFYSA-N 1 0 396.329 2.933 20 0 GFADRO CC1=CC[N@H+](CCNC(=O)[C@H]2CC(=O)Nc3ccc(Br)cc32)CC1 ZINC000579542461 655501083 /nfs/dbraw/zinc/50/10/83/655501083.db2.gz JWSBAECAIYLNOL-HNNXBMFYSA-N 1 0 392.297 2.643 20 0 GFADRO C[C@@H](NC(=O)[C@H]1CCCCC[NH2+]1)c1cc2c(cc1Br)OCCO2 ZINC000579712884 655502925 /nfs/dbraw/zinc/50/29/25/655502925.db2.gz JBXNDFYDQMCJSV-BXUZGUMPSA-N 1 0 383.286 2.930 20 0 GFADRO CC[NH+](CC)C[C@@H](C)NC(=O)N(C)C[C@@H](O)c1cccc(Br)c1 ZINC000840272193 661151012 /nfs/dbraw/zinc/15/10/12/661151012.db2.gz LJZCDELDYMKOBD-CZUORRHYSA-N 1 0 386.334 2.854 20 0 GFADRO [NH3+]C[C@H]1c2ccccc2CCN1S(=O)(=O)Cc1ccc(Br)cc1 ZINC000579832650 655504483 /nfs/dbraw/zinc/50/44/83/655504483.db2.gz MXKZKQVXLSLDFN-KRWDZBQOSA-N 1 0 395.322 2.837 20 0 GFADRO CN(Cc1ccc(Cl)s1)C(=O)C(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000579865444 655505214 /nfs/dbraw/zinc/50/52/14/655505214.db2.gz ZCSTZXUZTJRYIT-OAHLLOKOSA-N 1 0 379.913 2.779 20 0 GFADRO C[N@@H+]1CCC[C@H](CNS(=O)(=O)c2cccc(Cl)c2Br)C1 ZINC000580027300 655506866 /nfs/dbraw/zinc/50/68/66/655506866.db2.gz QUKJQNUARTZLSL-SNVBAGLBSA-N 1 0 381.723 2.723 20 0 GFADRO CC[NH2+]CCCNC(=O)NCC1(c2cccc(Br)c2)CCOCC1 ZINC000580051751 655507438 /nfs/dbraw/zinc/50/74/38/655507438.db2.gz UENHWLQTBGEBAH-UHFFFAOYSA-N 1 0 398.345 2.796 20 0 GFADRO [NH3+]CC[C@H](NC(=O)c1ccc(Cl)c(I)c1)C(F)F ZINC000580190796 655509705 /nfs/dbraw/zinc/50/97/05/655509705.db2.gz PYGNJLWXWNZXTP-VIFPVBQESA-N 1 0 388.583 2.657 20 0 GFADRO C[C@@H]1CC[N@H+](CC(=O)Nc2nccn2Cc2ccc(Br)cc2)C1 ZINC000580209571 655510299 /nfs/dbraw/zinc/51/02/99/655510299.db2.gz BYJDONCOAHJTBT-CYBMUJFWSA-N 1 0 377.286 2.974 20 0 GFADRO Cn1ncc(Br)c1C[NH2+]CC12CC(C1)CN2C(=O)OC(C)(C)C ZINC000701875385 655521553 /nfs/dbraw/zinc/52/15/53/655521553.db2.gz IRDKPAISFDVCRE-UHFFFAOYSA-N 1 0 385.306 2.672 20 0 GFADRO O=S(=O)(CC1CC[NH2+]CC1)NCc1cc(Cl)ccc1Br ZINC000719469486 655524416 /nfs/dbraw/zinc/52/44/16/655524416.db2.gz YOGUSRIJSOKXHM-UHFFFAOYSA-N 1 0 381.723 2.522 20 0 GFADRO Cc1cccc(C(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3C)c1I ZINC000720825041 655524755 /nfs/dbraw/zinc/52/47/55/655524755.db2.gz LWNRCVCSKRPDSX-UONOGXRCSA-N 1 0 384.261 2.908 20 0 GFADRO C[N@H+](CCOc1ccc(Br)cc1)Cc1ccc(OCC(N)=O)cc1 ZINC000725795580 655526312 /nfs/dbraw/zinc/52/63/12/655526312.db2.gz YZVZJGGTMWHYSS-UHFFFAOYSA-N 1 0 393.281 2.824 20 0 GFADRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NS(=O)(=O)Cc2ccc(Cl)nc2)C1 ZINC000725827118 655527338 /nfs/dbraw/zinc/52/73/38/655527338.db2.gz MIDRHASNNFWSRX-PBHICJAKSA-N 1 0 379.913 2.990 20 0 GFADRO C[NH+](C)CC(C)(C)CNC(=S)NCc1cccnc1OCC(F)(F)F ZINC000727073864 655541395 /nfs/dbraw/zinc/54/13/95/655541395.db2.gz MDMQVXQNYOMPRC-UHFFFAOYSA-N 1 0 378.464 2.575 20 0 GFADRO CCC[N@@H+]1CCC[C@H]1CNC(=O)N(C)C[C@@H](O)c1cccc(Br)c1 ZINC000840373201 661158256 /nfs/dbraw/zinc/15/82/56/661158256.db2.gz UPZGJXUCYJGYIC-DLBZAZTESA-N 1 0 398.345 2.998 20 0 GFADRO COC(=O)CSCc1cccc(NC(=S)NCC(C)(C)C[NH+](C)C)c1 ZINC000728453527 655555709 /nfs/dbraw/zinc/55/57/09/655555709.db2.gz LJCQMNJAUNHLNW-UHFFFAOYSA-N 1 0 383.583 2.967 20 0 GFADRO Cc1n[nH]c(C(=O)N(CC[NH+](C)C)Cc2cccc(C)c2)c1Br ZINC000728548436 655556327 /nfs/dbraw/zinc/55/63/27/655556327.db2.gz DKCCRJQEKABGAY-UHFFFAOYSA-N 1 0 379.302 2.993 20 0 GFADRO C[C@H]1CCC[N@@H+](C(C)(C)CNS(=O)(=O)c2c(Cl)nc3sccn32)C1 ZINC000728584880 655557233 /nfs/dbraw/zinc/55/72/33/655557233.db2.gz NVDPLCVVISPFRX-NSHDSACASA-N 1 0 390.962 2.838 20 0 GFADRO C[N@H+](CCN1CCN(C(=O)CSC(F)(F)F)CC1)Cc1ccccc1 ZINC000729385469 655564384 /nfs/dbraw/zinc/56/43/84/655564384.db2.gz BJGOJTZIPFHMPH-UHFFFAOYSA-N 1 0 375.460 2.516 20 0 GFADRO CCN(Cc1cccc(Br)c1)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000729504817 655565418 /nfs/dbraw/zinc/56/54/18/655565418.db2.gz LAOCQSCTJZGFQX-IRXDYDNUSA-N 1 0 396.329 2.844 20 0 GFADRO CN(Cc1cc(Br)cs1)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000729503380 655565426 /nfs/dbraw/zinc/56/54/26/655565426.db2.gz DSJGDDQQLGVXBV-OLZOCXBDSA-N 1 0 388.331 2.515 20 0 GFADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)N1CCc2c(ccc(Cl)c2Cl)C1 ZINC000729504405 655565446 /nfs/dbraw/zinc/56/54/46/655565446.db2.gz IDTRJABMFWHLCS-KGLIPLIRSA-N 1 0 384.307 2.924 20 0 GFADRO Nc1nc(Cl)cc(NCCC[NH+]2CCN(c3cccc(Cl)c3)CC2)n1 ZINC000730566374 655576585 /nfs/dbraw/zinc/57/65/85/655576585.db2.gz LBVGMCUKAWWPAV-UHFFFAOYSA-N 1 0 381.311 2.990 20 0 GFADRO S=c1n(CN2CC[C@H]([NH+]3CCCCC3)C2)nnn1-c1ccc(Cl)cc1 ZINC000730805686 655578020 /nfs/dbraw/zinc/57/80/20/655578020.db2.gz VRFIPEIMNBFMFL-INIZCTEOSA-N 1 0 378.933 2.969 20 0 GFADRO CC(=O)N(c1nn(CN2CC[C@H]([NH+]3CCCCC3)C2)c(=S)s1)C1CC1 ZINC000730807505 655578047 /nfs/dbraw/zinc/57/80/47/655578047.db2.gz SDFLQYKEIWYREQ-HNNXBMFYSA-N 1 0 381.571 2.707 20 0 GFADRO COC(=O)C(C)(C)N(C)C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000731843957 655587260 /nfs/dbraw/zinc/58/72/60/655587260.db2.gz DHGJGVJJYLFPJA-LLVKDONJSA-N 1 0 394.693 2.726 20 0 GFADRO Ic1ccccc1CN1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000732581636 655598151 /nfs/dbraw/zinc/59/81/51/655598151.db2.gz WSQRCOMFCRATNE-OAHLLOKOSA-N 1 0 386.277 2.588 20 0 GFADRO S=C(NCCc1cccnc1)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000732623999 655599327 /nfs/dbraw/zinc/59/93/27/655599327.db2.gz DRPMNXNNGXXYCC-UHFFFAOYSA-N 1 0 378.611 2.840 20 0 GFADRO C[N@H+](CCOc1cccc(Br)c1)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000732814769 655602844 /nfs/dbraw/zinc/60/28/44/655602844.db2.gz VFKILPHZDHJOGC-CYBMUJFWSA-N 1 0 395.219 2.923 20 0 GFADRO CC[C@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1c(Cl)nc2sccn21 ZINC000733316902 655611989 /nfs/dbraw/zinc/61/19/89/655611989.db2.gz NSZKUXILJMOLIK-NSHDSACASA-N 1 0 376.935 2.592 20 0 GFADRO CO[C@H](CNC(=O)N(CC[NH+](C)C)Cc1cccc(Cl)c1)C(F)(F)F ZINC000733662347 655618934 /nfs/dbraw/zinc/61/89/34/655618934.db2.gz ZZUBZZTWDVRJLI-CQSZACIVSA-N 1 0 381.826 2.991 20 0 GFADRO C[C@H](CNC(=O)c1ccccc1SC(F)(F)F)C[NH+]1CCN(C)CC1 ZINC000733976541 655624660 /nfs/dbraw/zinc/62/46/60/655624660.db2.gz REPSRNNNMYIHBL-CYBMUJFWSA-N 1 0 375.460 2.912 20 0 GFADRO Cc1cc(S(=O)(=O)NCCC[N@@H+]2CCc3ccccc3C2)cnc1Cl ZINC000735313305 655644472 /nfs/dbraw/zinc/64/44/72/655644472.db2.gz KUMLYQSGBUWETK-UHFFFAOYSA-N 1 0 379.913 2.770 20 0 GFADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)/C=C\c1ccc(I)o1 ZINC000736101136 655659043 /nfs/dbraw/zinc/65/90/43/655659043.db2.gz HKZXGNFQZCOVOI-VFFGBVLKSA-N 1 0 388.249 2.888 20 0 GFADRO Cc1nc(-c2ccc(Br)cc2)nn1CN1CC[C@@H](C[NH+](C)C)C1 ZINC000738221798 655687468 /nfs/dbraw/zinc/68/74/68/655687468.db2.gz CNCZFVNKAUNIEO-AWEZNQCLSA-N 1 0 378.318 2.857 20 0 GFADRO C[NH+](C)[C@@H](CNS(=O)(=O)c1cnc(Cl)c(Cl)c1)Cc1ccccc1 ZINC000738345944 655689280 /nfs/dbraw/zinc/68/92/80/655689280.db2.gz XCQPCSZAAOEFRA-CYBMUJFWSA-N 1 0 388.320 2.840 20 0 GFADRO CC[NH+](CC)[C@H](CNS(=O)(=O)c1cccnc1Cl)Cc1ccccc1 ZINC000738354930 655689590 /nfs/dbraw/zinc/68/95/90/655689590.db2.gz JWENFKUZCNJEKY-INIZCTEOSA-N 1 0 381.929 2.966 20 0 GFADRO COC1CC[NH+](C(C)(C)CNS(=O)(=O)c2cnc(Cl)c(Cl)c2)CC1 ZINC000738378620 655690582 /nfs/dbraw/zinc/69/05/82/655690582.db2.gz TTWBMLITUGGTHV-UHFFFAOYSA-N 1 0 396.340 2.556 20 0 GFADRO CCC[N@H+](Cn1cc(I)cn1)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000740859908 655700073 /nfs/dbraw/zinc/70/00/73/655700073.db2.gz VTRRUGMDWRPVRV-MJBXVCDLSA-N 1 0 389.281 2.971 20 0 GFADRO C[C@@H](CNC(=O)Nc1ccc(NS(C)(=O)=O)c(Cl)c1)[NH+]1CCCCC1 ZINC000741070645 655702649 /nfs/dbraw/zinc/70/26/49/655702649.db2.gz KLHMGCXFWJFAPK-LBPRGKRZSA-N 1 0 388.921 2.707 20 0 GFADRO C[C@H]1CCC[N@@H+]1CCNC(=O)c1ccn(-c2cccc(Br)c2)n1 ZINC000742238696 655712818 /nfs/dbraw/zinc/71/28/18/655712818.db2.gz AAXMSCSTKQCFGQ-ZDUSSCGKSA-N 1 0 377.286 2.849 20 0 GFADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=S)NCCCSC ZINC000743060617 655725940 /nfs/dbraw/zinc/72/59/40/655725940.db2.gz HALYXZHFJCIKDR-UHFFFAOYSA-N 1 0 382.599 2.877 20 0 GFADRO CCS(=O)(=O)CC[NH2+]C[C@H](c1ccccc1)N1CCc2sccc2C1 ZINC000743260783 655727492 /nfs/dbraw/zinc/72/74/92/655727492.db2.gz JEVIJQQCXGNOCW-GOSISDBHSA-N 1 0 378.563 2.872 20 0 GFADRO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]CCCc1ccccc1 ZINC000743503239 655729767 /nfs/dbraw/zinc/72/97/67/655729767.db2.gz RNEYGPPSAQPPRD-INIZCTEOSA-N 1 0 381.929 2.927 20 0 GFADRO COCCC[N@H+](C)CCNC(=S)N[C@H](C)c1ccc(Br)cc1 ZINC000840732283 661180644 /nfs/dbraw/zinc/18/06/44/661180644.db2.gz VWRABZGQCTZJIC-CYBMUJFWSA-N 1 0 388.375 2.943 20 0 GFADRO C[C@@H]([NH2+]Cc1cnc(N2CCOCC2)s1)[C@@H](O)c1c(F)cccc1Cl ZINC000744446508 655740322 /nfs/dbraw/zinc/74/03/22/655740322.db2.gz AHAVKZSTNGNOGY-BDJLRTHQSA-N 1 0 385.892 2.984 20 0 GFADRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)CN2C(=S)N=NC2c2cccs2)C1 ZINC000745997369 655757277 /nfs/dbraw/zinc/75/72/77/655757277.db2.gz PZJYFIDVQMDDOH-ZDUSSCGKSA-N 1 0 379.555 2.532 20 0 GFADRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)c1sc(N2CCCC2)nc1Cl ZINC000746599632 655764565 /nfs/dbraw/zinc/76/45/65/655764565.db2.gz JZMADMFYIHWNQL-CYBMUJFWSA-N 1 0 386.949 2.580 20 0 GFADRO C[C@H](CNC(=S)NC1CC[NH+](C)CC1)Oc1ccccc1Br ZINC000749007977 655798725 /nfs/dbraw/zinc/79/87/25/655798725.db2.gz ULSWKWACXJFHHI-GFCCVEGCSA-N 1 0 386.359 2.775 20 0 GFADRO Cn1c(Cl)c(Cl)cc1C(=O)N(CC[NH+](C)C)CC(=O)OC(C)(C)C ZINC000750735553 655816688 /nfs/dbraw/zinc/81/66/88/655816688.db2.gz YMIZNUVBJPWDIQ-UHFFFAOYSA-N 1 0 378.300 2.677 20 0 GFADRO C[C@@H]1CC[N@H+](CN2C(=O)N[C@](C)(c3ccccc3Br)C2=O)[C@@H]1C ZINC000751939102 655836442 /nfs/dbraw/zinc/83/64/42/655836442.db2.gz CWHAJUTXUOSFPX-PSTGCABASA-N 1 0 380.286 2.904 20 0 GFADRO COC(=O)CC[N@H+](C[C@H](O)c1ccccc1Br)C[C@@H]1CCCO1 ZINC000751989420 655837929 /nfs/dbraw/zinc/83/79/29/655837929.db2.gz FJPIZPGKTZDTRQ-BBRMVZONSA-N 1 0 386.286 2.527 20 0 GFADRO COCC[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CCOc3c(Cl)c(Cl)ccc32)C1 ZINC000753151198 655850918 /nfs/dbraw/zinc/85/09/18/655850918.db2.gz SHDIHQQHUVSLSA-SMDDNHRTSA-N 1 0 388.295 2.837 20 0 GFADRO CC[NH+](CC)CCCNS(=O)(=O)c1cc(C(=O)OC)c(Cl)cc1Cl ZINC000754029046 655862229 /nfs/dbraw/zinc/86/22/29/655862229.db2.gz FKOMNRYMOQKKLV-UHFFFAOYSA-N 1 0 397.324 2.790 20 0 GFADRO C[C@@H](CNC(=O)Cc1ccc(I)cc1)[NH+]1CCCCC1 ZINC000754181155 655864961 /nfs/dbraw/zinc/86/49/61/655864961.db2.gz CVXVMXGLDAALEQ-ZDUSSCGKSA-N 1 0 386.277 2.824 20 0 GFADRO COC(=O)c1cc(S(=O)(=O)N(C)CCCC[NH+](C)C)c(Cl)cc1Cl ZINC000754320534 655866365 /nfs/dbraw/zinc/86/63/65/655866365.db2.gz ADHLJPNCSUMRDK-UHFFFAOYSA-N 1 0 397.324 2.742 20 0 GFADRO COC(=O)c1cc(C[NH2+]CC(=O)Nc2ccc(Br)cc2)n(C)c1C ZINC000840880710 661198026 /nfs/dbraw/zinc/19/80/26/661198026.db2.gz LOELCLVYJHCIOP-UHFFFAOYSA-N 1 0 394.269 2.611 20 0 GFADRO O=C(CCC(=O)c1cc(Cl)sc1Cl)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000755262504 655881730 /nfs/dbraw/zinc/88/17/30/655881730.db2.gz YTSHCDJRAMGEIG-WDEREUQCSA-N 1 0 391.320 2.997 20 0 GFADRO Cc1ccc(C(=O)Nc2c[nH+]ccc2N2CCN(C)CC2)c(Br)n1 ZINC000755630536 655886481 /nfs/dbraw/zinc/88/64/81/655886481.db2.gz FGRAZGJYNZGULU-UHFFFAOYSA-N 1 0 390.285 2.552 20 0 GFADRO Cc1ccc(N2N=C(Br)C[C@H]2C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000756097296 655894776 /nfs/dbraw/zinc/89/47/76/655894776.db2.gz KLRSBLWFSUXUIO-BBRMVZONSA-N 1 0 391.313 2.635 20 0 GFADRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2cc(Br)nn2C)C1 ZINC000757856264 655917547 /nfs/dbraw/zinc/91/75/47/655917547.db2.gz DLAGHLLHPCYBRP-JSGCOSHPSA-N 1 0 377.286 2.748 20 0 GFADRO O=S(=O)(C(F)F)N1CCC(C[NH2+]Cc2nc3ccc(F)cc3s2)CC1 ZINC000758341044 655929771 /nfs/dbraw/zinc/92/97/71/655929771.db2.gz GWFQNRZNFYCXOG-UHFFFAOYSA-N 1 0 393.456 2.789 20 0 GFADRO CN(Cc1cc(Br)cn1C)C(=S)NCC(C)(C)C[NH+](C)C ZINC000758443205 655932971 /nfs/dbraw/zinc/93/29/71/655932971.db2.gz AXVCRLYRHNYROT-UHFFFAOYSA-N 1 0 375.380 2.682 20 0 GFADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000758503317 655934328 /nfs/dbraw/zinc/93/43/28/655934328.db2.gz FXHZKWLEZZRKDY-LBPRGKRZSA-N 1 0 375.441 2.679 20 0 GFADRO O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cnn(-c2ccccc2)c1Br ZINC000760183195 655971505 /nfs/dbraw/zinc/97/15/05/655971505.db2.gz PDXYASOFRLJMEG-DZGCQCFKSA-N 1 0 389.297 2.991 20 0 GFADRO CC(C)[NH+]1CCN(C2CCN(C(=S)Nc3ccc(Cl)nc3)CC2)CC1 ZINC000760246123 655973425 /nfs/dbraw/zinc/97/34/25/655973425.db2.gz ZNHFWGGRXHDTSQ-UHFFFAOYSA-N 1 0 381.977 2.922 20 0 GFADRO CC(C)[C@@H](C[NH+](C)C)NC(=O)c1cnn(-c2ccccc2)c1Br ZINC000760306468 655975296 /nfs/dbraw/zinc/97/52/96/655975296.db2.gz DQEGGJCEBHZHRS-OAHLLOKOSA-N 1 0 379.302 2.951 20 0 GFADRO O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)c1cccc(Br)c1F ZINC000760332346 655976258 /nfs/dbraw/zinc/97/62/58/655976258.db2.gz MEUKYLWDYNJDFN-ZDUSSCGKSA-N 1 0 385.277 2.961 20 0 GFADRO Cn1ncc(C(=O)NC[C@@H](c2ccc(Cl)cc2)[NH+](C)C)c1Br ZINC000760343580 655976756 /nfs/dbraw/zinc/97/67/56/655976756.db2.gz CGOASFFOTIRYLC-ZDUSSCGKSA-N 1 0 385.693 2.869 20 0 GFADRO C[NH+]1CCC(CNC(=S)NC[C@@H](O)c2ccc(Cl)cc2Cl)CC1 ZINC000760488006 655982573 /nfs/dbraw/zinc/98/25/73/655982573.db2.gz VLMPMASZMPNXJJ-OAHLLOKOSA-N 1 0 376.353 2.833 20 0 GFADRO C[C@H]1C[C@H](N2C(=O)CN(Cc3cccc(Br)c3)C2=O)C[N@@H+]1C1CC1 ZINC000762097436 656031092 /nfs/dbraw/zinc/03/10/92/656031092.db2.gz TUQJDQQJBPEZTP-LRDDRELGSA-N 1 0 392.297 2.839 20 0 GFADRO CC1CC[NH+](CC(=O)NC[C@](O)(c2ccc(Cl)cc2)C(F)(F)F)CC1 ZINC000762240408 656037282 /nfs/dbraw/zinc/03/72/82/656037282.db2.gz IDBHANOWFCRCPW-INIZCTEOSA-N 1 0 378.822 2.938 20 0 GFADRO CC(C)(C)OC(=O)NC[C@H]1CC[C@H]([NH2+]Cc2ccc(S(C)(=O)=O)s2)C1 ZINC000840951729 661217356 /nfs/dbraw/zinc/21/73/56/661217356.db2.gz IQMAMHMDTNGLCW-STQMWFEESA-N 1 0 388.555 2.935 20 0 GFADRO Cc1sc(Cl)nc1C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1 ZINC000762869503 656061577 /nfs/dbraw/zinc/06/15/77/656061577.db2.gz OJRFLJSJTMDHKK-UHFFFAOYSA-N 1 0 380.857 2.827 20 0 GFADRO C[C@H]([NH2+]C[C@@H]1CC2(CC2)C(=O)O1)c1cc2c(cc1Br)OCCO2 ZINC000763739614 656092260 /nfs/dbraw/zinc/09/22/60/656092260.db2.gz WQDLJCIWVSSQAK-QWRGUYRKSA-N 1 0 382.254 2.967 20 0 GFADRO Cc1cc(Br)ncc1NC(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000763830643 656094409 /nfs/dbraw/zinc/09/44/09/656094409.db2.gz FTCVFWTXGASGSP-ZDUSSCGKSA-N 1 0 385.306 2.775 20 0 GFADRO O=C([C@@H](O)c1cc(Cl)cc(Cl)c1)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000764923964 656123643 /nfs/dbraw/zinc/12/36/43/656123643.db2.gz WMAMZNIGLWGRRX-SJORKVTESA-N 1 0 387.307 2.740 20 0 GFADRO COCCOC[C@H](C)[NH2+][C@H]1CCN(c2ccc(Br)c(C)c2)C1=O ZINC000764940991 656123915 /nfs/dbraw/zinc/12/39/15/656123915.db2.gz RXSDTUCCLBHRSS-BBRMVZONSA-N 1 0 385.302 2.504 20 0 GFADRO [NH3+]C[C@@H](NC(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1)C1CCCCC1 ZINC000841013629 661226696 /nfs/dbraw/zinc/22/66/96/661226696.db2.gz RUGDCFIZWDBPGZ-CQSZACIVSA-N 1 0 375.441 2.712 20 0 GFADRO O=C(Nc1cc2c(cc1Br)OCCO2)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000841013929 661227147 /nfs/dbraw/zinc/22/71/47/661227147.db2.gz ASHJFBKIPVZMPT-LLVKDONJSA-N 1 0 382.258 2.579 20 0 GFADRO C[C@@H]([NH3+])C1CCN(C(=O)Nc2cc3c(cc2Br)OCCO3)CC1 ZINC000841014572 661227304 /nfs/dbraw/zinc/22/73/04/661227304.db2.gz GQHLRDBIDVCPNL-SNVBAGLBSA-N 1 0 384.274 2.811 20 0 GFADRO CN1CC[NH+](CCCCNC(=O)N2Cc3ccc(Br)cc3C2)CC1 ZINC000765212830 656137332 /nfs/dbraw/zinc/13/73/32/656137332.db2.gz LEMGRTQTBFBBDV-UHFFFAOYSA-N 1 0 395.345 2.502 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)C[NH2+]Cc1ccc2c(c1)nnn2C ZINC000765238105 656138532 /nfs/dbraw/zinc/13/85/32/656138532.db2.gz CYSQIRVLHBEYRG-UHFFFAOYSA-N 1 0 388.269 2.768 20 0 GFADRO Ic1cnc(NC2CC[NH+](Cc3ccncc3)CC2)nc1 ZINC000766059777 656159000 /nfs/dbraw/zinc/15/90/00/656159000.db2.gz PAHFIGGTVKITKZ-UHFFFAOYSA-N 1 0 395.248 2.553 20 0 GFADRO C[C@@H](C[C@H]1CCOC1)[NH2+]CCc1ccc(S(=O)(=O)N2CCCCC2)s1 ZINC000766211991 656165335 /nfs/dbraw/zinc/16/53/35/656165335.db2.gz DXCJKCHDRWGKFC-JKSUJKDBSA-N 1 0 386.583 2.870 20 0 GFADRO Cc1nn(Cc2ccc(Cl)cc2Cl)c(Cl)c1CN(C)C[C@H](O)C[NH3+] ZINC000841094301 661232354 /nfs/dbraw/zinc/23/23/54/661232354.db2.gz WOOMMBTYWXFXJK-CYBMUJFWSA-N 1 0 391.730 2.951 20 0 GFADRO C[NH+](C)CCCNC(=S)N1CCN(c2c(Cl)cccc2Cl)CC1 ZINC000767429278 656202840 /nfs/dbraw/zinc/20/28/40/656202840.db2.gz JITIUHXANKBPMG-UHFFFAOYSA-N 1 0 375.369 2.942 20 0 GFADRO CS(=O)(=O)Nc1ccc(N2CC[NH+](CCCCC(F)(F)F)CC2)cc1 ZINC000767746232 656218583 /nfs/dbraw/zinc/21/85/83/656218583.db2.gz NYKYNZCVLUNNLG-UHFFFAOYSA-N 1 0 379.448 2.913 20 0 GFADRO COCCS(=O)(=O)CCC[N@@H+]1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000767886490 656225571 /nfs/dbraw/zinc/22/55/71/656225571.db2.gz YJMXOWSSLLRHHH-HNNXBMFYSA-N 1 0 379.444 2.946 20 0 GFADRO O=C(NCC1CC[NH2+]CC1)C(=O)Nc1cccc(Cl)c1SC(F)F ZINC000841153982 661239207 /nfs/dbraw/zinc/23/92/07/661239207.db2.gz WOMVDKQAHVWSPD-UHFFFAOYSA-N 1 0 377.844 2.709 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1cc(=O)c2cc(Br)ccc2o1 ZINC000841186086 661242455 /nfs/dbraw/zinc/24/24/55/661242455.db2.gz AVHVSXSSHXPFLM-OLZOCXBDSA-N 1 0 391.265 2.912 20 0 GFADRO CN(C(=O)C(=O)Nc1ccc(Cl)c(Br)c1)C1CCC([NH3+])CC1 ZINC000841188399 661242828 /nfs/dbraw/zinc/24/28/28/661242828.db2.gz CHMWEBLVVKLDSK-UHFFFAOYSA-N 1 0 388.693 2.769 20 0 GFADRO C[C@H]1CCN(C(=O)C(=O)Nc2ccccc2SC(F)(F)F)C[C@H]1C[NH3+] ZINC000841276242 661250929 /nfs/dbraw/zinc/25/09/29/661250929.db2.gz OSFSIWDPLRKUAU-WDEREUQCSA-N 1 0 375.416 2.680 20 0 GFADRO C[C@]1(C[NH3+])CCN(C(=O)C(=O)Nc2cccc(Cl)c2SC(F)F)C1 ZINC000841235523 661247143 /nfs/dbraw/zinc/24/71/43/661247143.db2.gz WNSFTORAWACVEB-OAHLLOKOSA-N 1 0 377.844 2.791 20 0 GFADRO [NH3+]C[C@H]1CC[C@@H](NC(=O)C(=O)Nc2cccc(Cl)c2SC(F)F)C1 ZINC000841260698 661250110 /nfs/dbraw/zinc/25/01/10/661250110.db2.gz JDXDDWXNECWLAG-DTWKUNHWSA-N 1 0 377.844 2.837 20 0 GFADRO CC[NH+](CC)CCOC(=O)c1cc(S(C)(=O)=O)cc(Br)c1C ZINC000772236901 656375647 /nfs/dbraw/zinc/37/56/47/656375647.db2.gz NJGVXLANYFQRDL-UHFFFAOYSA-N 1 0 392.315 2.660 20 0 GFADRO CC[NH+](CC)CCOC(=O)c1cc(S(=O)(=O)CC)ccc1Br ZINC000772259207 656376237 /nfs/dbraw/zinc/37/62/37/656376237.db2.gz QKGVJYMAENTUDB-UHFFFAOYSA-N 1 0 392.315 2.741 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)c2cc(=O)c3cc(Br)ccc3o2)CC[N@@H+]1C ZINC000841397670 661260015 /nfs/dbraw/zinc/26/00/15/661260015.db2.gz QGACYFKHBMJRQG-ZYHUDNBSSA-N 1 0 379.254 2.768 20 0 GFADRO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)c1cc(=O)c2cc(Br)ccc2o1 ZINC000841392607 661258794 /nfs/dbraw/zinc/25/87/94/661258794.db2.gz ZOMNIPAWRBHTFF-CYBMUJFWSA-N 1 0 391.265 2.770 20 0 GFADRO CCNS(=O)(=O)CC[NH2+][C@H]1CCSc2ccc(Br)cc21 ZINC000772977723 656396021 /nfs/dbraw/zinc/39/60/21/656396021.db2.gz IPFOKBXUWSCQAS-LBPRGKRZSA-N 1 0 379.345 2.515 20 0 GFADRO C[C@@H](C[C@@H]1CCOC1)[NH2+]CCOc1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000773128092 656400583 /nfs/dbraw/zinc/40/05/83/656400583.db2.gz ADOREUBTHBAGSB-STQMWFEESA-N 1 0 381.416 2.764 20 0 GFADRO O=c1oc2cc(Br)c(F)cc2n1CN1CC[C@@H]([NH+]2CCCC2)C1 ZINC000773300670 656408894 /nfs/dbraw/zinc/40/88/94/656408894.db2.gz MDJQFXILZYIFTC-LLVKDONJSA-N 1 0 384.249 2.624 20 0 GFADRO CC(C)[C@@H]1C[N@H+](C)CCN1Cn1c(=O)oc2cc(Br)c(F)cc21 ZINC000773304167 656409501 /nfs/dbraw/zinc/40/95/01/656409501.db2.gz XXZPUGPQBVETSW-AWEZNQCLSA-N 1 0 386.265 2.726 20 0 GFADRO CN(C(=O)COc1ccc(C=O)cc1Br)C(C)(C)C[NH+]1CCCC1 ZINC000841468362 661268126 /nfs/dbraw/zinc/26/81/26/661268126.db2.gz XUGXTXZOWVSPGB-UHFFFAOYSA-N 1 0 397.313 2.973 20 0 GFADRO Cc1cc(Br)cc(C[NH2+]CCc2ccc(S(N)(=O)=O)cc2)c1 ZINC000774977450 656579080 /nfs/dbraw/zinc/57/90/80/656579080.db2.gz QTKLVNWJFDEMFU-UHFFFAOYSA-N 1 0 383.311 2.737 20 0 GFADRO Cc1cc(Br)cc(C[NH2+][C@@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)c1 ZINC000775015627 656586729 /nfs/dbraw/zinc/58/67/29/656586729.db2.gz JEVZBKGCVUPDPE-CVEARBPZSA-N 1 0 388.327 2.583 20 0 GFADRO CS(=O)(=O)CCN1CCC([NH2+]CCCc2c(F)cccc2Cl)CC1 ZINC000775027175 656588635 /nfs/dbraw/zinc/58/86/35/656588635.db2.gz IOOJQUMIQDAWPC-UHFFFAOYSA-N 1 0 376.925 2.510 20 0 GFADRO O=C(c1ccc(C[NH2+][C@@H]2CC[C@H]3SCCS[C@H]23)cc1)N1CCOCC1 ZINC000775382231 656635365 /nfs/dbraw/zinc/63/53/65/656635365.db2.gz GQZXHFHEMSOZRL-KZNAEPCWSA-N 1 0 378.563 2.628 20 0 GFADRO O=S1(=O)CCC(O)(C[NH2+][C@H]2CCCc3cc(SC(F)F)ccc32)CC1 ZINC000775394393 656636349 /nfs/dbraw/zinc/63/63/49/656636349.db2.gz QPGRYNSZLUEZQF-HNNXBMFYSA-N 1 0 391.505 2.908 20 0 GFADRO O=S1(=O)CC[C@H]([NH2+]C[C@H](O)c2ccccc2)c2cc(Br)ccc21 ZINC000775483196 656642510 /nfs/dbraw/zinc/64/25/10/656642510.db2.gz OUHPZDRPCQWOET-HOTGVXAUSA-N 1 0 396.306 2.991 20 0 GFADRO C[C@H]1CCOCC[N@@H+]1C[C@H](O)COc1ccc(Cl)cc1Br ZINC000775567563 656650093 /nfs/dbraw/zinc/65/00/93/656650093.db2.gz JKFBZJCPSPJRQR-AAEUAGOBSA-N 1 0 378.694 2.953 20 0 GFADRO C[C@@H]([NH2+]CCCCCS(C)(=O)=O)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000775586728 656650684 /nfs/dbraw/zinc/65/06/84/656650684.db2.gz PJNFWNZCVMCWIL-HZPDHXFCSA-N 1 0 376.563 2.969 20 0 GFADRO COC(=O)[C@@H]1CCCC[C@]1(C)[NH2+]Cc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000775993710 656700939 /nfs/dbraw/zinc/70/09/39/656700939.db2.gz WPBOLOLEHURWPN-YOEHRIQHSA-N 1 0 375.437 2.894 20 0 GFADRO C[C@@H](OC(=O)C(C)(Cl)Cl)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000777224247 656814805 /nfs/dbraw/zinc/81/48/05/656814805.db2.gz FISLKQYPVYIEAI-CYBMUJFWSA-N 1 0 387.307 2.893 20 0 GFADRO C[C@@H]1C[NH+](CCCCNC(=O)c2scnc2Br)C[C@@H](C)O1 ZINC000777868435 656840308 /nfs/dbraw/zinc/84/03/08/656840308.db2.gz WFTFAIIHMBKKKQ-GHMZBOCLSA-N 1 0 376.320 2.525 20 0 GFADRO CCS(=O)(=O)CC[NH2+][C@H](c1ccc(Br)cc1)[C@H]1CCCO1 ZINC000779051557 656898269 /nfs/dbraw/zinc/89/82/69/656898269.db2.gz DQHRGMMQJSPWMQ-HUUCEWRRSA-N 1 0 376.316 2.694 20 0 GFADRO Cn1cc([C@H](O)C[NH2+][C@H](c2ccc(Br)cc2)[C@@H]2CCCO2)cn1 ZINC000779071863 656898507 /nfs/dbraw/zinc/89/85/07/656898507.db2.gz GJJILAVKZBYSBB-IXDOHACOSA-N 1 0 380.286 2.726 20 0 GFADRO CC(C)[N@H+](CC[C@H]1CCCN(C(=O)OC(C)(C)C)C1)CCS(C)(=O)=O ZINC000779477044 656929515 /nfs/dbraw/zinc/92/95/15/656929515.db2.gz UPQOCCCRCUDXFH-MRXNPFEDSA-N 1 0 376.563 2.779 20 0 GFADRO O=C(NC[C@@H]1CC1(Cl)Cl)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000779976925 656973463 /nfs/dbraw/zinc/97/34/63/656973463.db2.gz JBWKSAAJUPYMNF-HNNXBMFYSA-N 1 0 378.344 2.714 20 0 GFADRO CCOc1ccc(S(=O)(=O)NCC[N@@H+]2CCC[C@H]2C)cc1Br ZINC000780868013 657033952 /nfs/dbraw/zinc/03/39/52/657033952.db2.gz UMWYHCFPWVPJIZ-GFCCVEGCSA-N 1 0 391.331 2.610 20 0 GFADRO Cc1ccc(/C=C/C(=O)N2CC[N@H+](CCO)C(C)(C)C2)c(Br)c1 ZINC000781678044 657071953 /nfs/dbraw/zinc/07/19/53/657071953.db2.gz YJNPOVIRTTUPGF-VOTSOKGWSA-N 1 0 381.314 2.686 20 0 GFADRO COC(=O)[C@@H](c1cccc(Cl)c1Cl)N1CC[NH+](CCCCO)CC1 ZINC000782047928 657096971 /nfs/dbraw/zinc/09/69/71/657096971.db2.gz JAFPEOZEHAPXRN-MRXNPFEDSA-N 1 0 375.296 2.598 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cnn(-c2ccccc2)c1Br ZINC000782163530 657108709 /nfs/dbraw/zinc/10/87/09/657108709.db2.gz FHXPHLKDVBEASU-CQSZACIVSA-N 1 0 377.286 2.849 20 0 GFADRO C[NH+](C)[C@@H]1CCCN(C(=O)c2cnn(-c3ccccc3)c2Br)C1 ZINC000782170789 657110408 /nfs/dbraw/zinc/11/04/08/657110408.db2.gz YNXTZUIAOONILM-CQSZACIVSA-N 1 0 377.286 2.801 20 0 GFADRO CCOC(=O)c1nn(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c(=S)s1 ZINC000782834500 657183884 /nfs/dbraw/zinc/18/38/84/657183884.db2.gz XVDBPBOLOCNBNG-GXTWGEPZSA-N 1 0 382.555 2.757 20 0 GFADRO COc1ccccc1N1CC[C@@H](C[NH2+]Cc2cc(Br)nn2C)C1 ZINC000785446632 657365247 /nfs/dbraw/zinc/36/52/47/657365247.db2.gz VUPNVKSFRBSUEY-ZDUSSCGKSA-N 1 0 379.302 2.807 20 0 GFADRO Cn1nc(Br)cc1C[NH2+]CCc1ccn(-c2ccc(F)cc2)n1 ZINC000785477315 657367120 /nfs/dbraw/zinc/36/71/20/657367120.db2.gz ONUWNHAMZAYIIT-UHFFFAOYSA-N 1 0 378.249 2.840 20 0 GFADRO CC[N@H+](CCNC(=O)NCc1ccc(C(=O)OC)cc1Br)C1CC1 ZINC000785572280 657375654 /nfs/dbraw/zinc/37/56/54/657375654.db2.gz YOWWUXWROSJIKB-UHFFFAOYSA-N 1 0 398.301 2.519 20 0 GFADRO Cc1ccccc1[C@H]([C@H](C)NC(=O)c1cnn(C)c1Br)[NH+](C)C ZINC000785855938 657390687 /nfs/dbraw/zinc/39/06/87/657390687.db2.gz KOOSMSIXXGPGIP-WFASDCNBSA-N 1 0 379.302 2.912 20 0 GFADRO Cc1cnc(Br)cc1NC(=O)N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC000785976344 657398314 /nfs/dbraw/zinc/39/83/14/657398314.db2.gz OOFFIPZYIUEOSV-ZDUSSCGKSA-N 1 0 397.317 2.870 20 0 GFADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)Nc1cc(Br)c(F)cc1F ZINC000786167627 657412246 /nfs/dbraw/zinc/41/22/46/657412246.db2.gz IUVINWCLHVSXAW-UWVGGRQHSA-N 1 0 390.228 2.712 20 0 GFADRO O=C(Cc1ccc(Br)c(Cl)c1)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000786849292 657474405 /nfs/dbraw/zinc/47/44/05/657474405.db2.gz HBILIFQLFKOIIQ-OLZOCXBDSA-N 1 0 387.705 2.624 20 0 GFADRO CCOC(=O)C(F)(F)[C@H]1CCC[C@H]([NH2+]Cc2ccc(S(C)(=O)=O)s2)C1 ZINC000786960508 657495958 /nfs/dbraw/zinc/49/59/58/657495958.db2.gz JLRXZRREHXMDRI-RYUDHWBXSA-N 1 0 395.493 2.998 20 0 GFADRO C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1[NH2+]Cc1ccc(S(C)(=O)=O)s1 ZINC000786964189 657497200 /nfs/dbraw/zinc/49/72/00/657497200.db2.gz VTKQXVQJPTUWQJ-TZMCWYRMSA-N 1 0 388.555 2.887 20 0 GFADRO CC1CC[NH+](C[C@H]2CCCN(C(=O)c3ncc(Br)cn3)C2)CC1 ZINC000786995473 657501953 /nfs/dbraw/zinc/50/19/53/657501953.db2.gz NFZONFHRZIALPG-CQSZACIVSA-N 1 0 381.318 2.823 20 0 GFADRO CS[C@H]1CN(C(=O)c2nc(Br)ccc2C)C[C@H]1[NH+]1CCCC1 ZINC000787270413 657536312 /nfs/dbraw/zinc/53/63/12/657536312.db2.gz POEPORDYVPWBOH-OLZOCXBDSA-N 1 0 384.343 2.804 20 0 GFADRO C[C@H](C[N@H+](C)CCCOC(=O)NC(N)=O)Oc1ccc(Cl)c(Cl)c1 ZINC000787342758 657546145 /nfs/dbraw/zinc/54/61/45/657546145.db2.gz OONKJHSQJWZJAB-SNVBAGLBSA-N 1 0 378.256 2.888 20 0 GFADRO CN1CCN(c2ccc(NC(=O)C3([NH+](C)C)CCC3)cc2Br)CC1 ZINC000787669153 657584417 /nfs/dbraw/zinc/58/44/17/657584417.db2.gz KEGJZQFVGJDHFU-UHFFFAOYSA-N 1 0 395.345 2.624 20 0 GFADRO CCCN(CCC[NH+](C)C)C(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000787758622 657594864 /nfs/dbraw/zinc/59/48/64/657594864.db2.gz DPQHQIBGRQEJMQ-UHFFFAOYSA-N 1 0 380.432 2.784 20 0 GFADRO O=S(=O)(NCCC[N@@H+]1CCc2ccccc2C1)c1cnc(Cl)c(F)c1 ZINC000787919493 657622907 /nfs/dbraw/zinc/62/29/07/657622907.db2.gz NTBWQIZCAKXMJG-UHFFFAOYSA-N 1 0 383.876 2.601 20 0 GFADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@H](C)[C@@H](O)c1cccc(F)c1 ZINC000788666789 657768402 /nfs/dbraw/zinc/76/84/02/657768402.db2.gz SSWBWVGIFWKXFE-PSTGCABASA-N 1 0 383.261 2.850 20 0 GFADRO O=S(=O)(NCC[NH2+][C@H]1CCc2ccc(Cl)nc21)c1ccc(F)cc1F ZINC000788816988 657787471 /nfs/dbraw/zinc/78/74/71/657787471.db2.gz VXTZWGOUFIDQAP-ZDUSSCGKSA-N 1 0 387.839 2.569 20 0 GFADRO Cc1nn(C)c(Cl)c1S(=O)(=O)N[C@H](C)[C@H](c1ccccc1C)[NH+](C)C ZINC000788914330 657796663 /nfs/dbraw/zinc/79/66/63/657796663.db2.gz CDDNBVVLTUWCTB-IUODEOHRSA-N 1 0 384.933 2.660 20 0 GFADRO Cc1ccc(CN(CC[NH+](C)C)C(=O)Cc2cccnc2Br)o1 ZINC000791348642 658083973 /nfs/dbraw/zinc/08/39/73/658083973.db2.gz RRJZWEQFVMCWON-UHFFFAOYSA-N 1 0 380.286 2.878 20 0 GFADRO C[NH+](C)CCCOC(=O)[C@@H]1CCCN1C(=O)c1ccc(Br)cc1 ZINC000791808895 658183190 /nfs/dbraw/zinc/18/31/90/658183190.db2.gz FIYNFWAEIZZFOU-HNNXBMFYSA-N 1 0 383.286 2.549 20 0 GFADRO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)c1nc(Br)ccc1F ZINC000792074162 658228813 /nfs/dbraw/zinc/22/88/13/658228813.db2.gz IHJVVXYSRXOPLG-ZDUSSCGKSA-N 1 0 380.261 2.886 20 0 GFADRO CC(C)(C)OC(=O)NCC[C@H](O)C[NH2+]Cc1cc(Br)ccc1F ZINC000792958829 658335157 /nfs/dbraw/zinc/33/51/57/658335157.db2.gz LALBJJUGYDXEKN-ZDUSSCGKSA-N 1 0 391.281 2.954 20 0 GFADRO COC(=O)N1CC([NH2+][C@@H](C)CCc2ccc(I)cc2)C1 ZINC000793019226 658348284 /nfs/dbraw/zinc/34/82/84/658348284.db2.gz MHLXBJKQUNXMRS-NSHDSACASA-N 1 0 388.249 2.653 20 0 GFADRO Cc1nc(SC(F)F)sc1CC(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000793892546 658455485 /nfs/dbraw/zinc/45/54/85/658455485.db2.gz VBZUGPIDUQKCSR-JTQLQIEISA-N 1 0 393.525 2.612 20 0 GFADRO Cc1ccc(NC(=O)N(C)CC[N@H+](C)C2CCN(C)CC2)nc1Br ZINC000794355418 658522555 /nfs/dbraw/zinc/52/25/55/658522555.db2.gz MFGJBRVFSYUHNQ-UHFFFAOYSA-N 1 0 398.349 2.642 20 0 GFADRO CCS[C@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1sc2c(c1C(N)=O)CCCC2 ZINC000794603502 658575604 /nfs/dbraw/zinc/57/56/04/658575604.db2.gz DWHLMKPZZGHDRJ-JSGCOSHPSA-N 1 0 381.567 2.928 20 0 GFADRO Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)[NH2+][C@@H]1CC[C@@H]2SCCS[C@H]12 ZINC000794816538 658618554 /nfs/dbraw/zinc/61/85/54/658618554.db2.gz NQOUFBLRJGAGQV-PWXKEOIMSA-N 1 0 386.608 2.981 20 0 GFADRO C[N@H+](C[C@H](O)COc1ccc(Cl)cc1Br)C1(CO)CCC1 ZINC000795191909 658707605 /nfs/dbraw/zinc/70/76/05/658707605.db2.gz JDUHHKNYCFNKDB-LBPRGKRZSA-N 1 0 378.694 2.689 20 0 GFADRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1CN1Cc2ccc(Br)cc2C1=O ZINC000795709092 658843573 /nfs/dbraw/zinc/84/35/73/658843573.db2.gz XDVNXKWMUVAXIG-XJKSGUPXSA-N 1 0 378.314 2.921 20 0 GFADRO COC(=O)N1CCC(C[NH2+]Cc2cc3c(c(Br)c2)OCO3)CC1 ZINC000796501172 658920690 /nfs/dbraw/zinc/92/06/90/658920690.db2.gz ZUFFILZBMADPPF-UHFFFAOYSA-N 1 0 385.258 2.746 20 0 GFADRO COc1c[nH+]ccc1N1CCN(C[C@H](O)c2ccccc2Br)CC1 ZINC000796574511 658924168 /nfs/dbraw/zinc/92/41/68/658924168.db2.gz FLGYOWPRSJCSQF-KRWDZBQOSA-N 1 0 392.297 2.708 20 0 GFADRO O=C(Cc1cccnc1Br)NC1CC[NH+](Cc2cccnc2)CC1 ZINC000798293483 659092819 /nfs/dbraw/zinc/09/28/19/659092819.db2.gz LTOFBYNPCVTAPW-UHFFFAOYSA-N 1 0 389.297 2.562 20 0 GFADRO C[C@@]1(CNS(=O)(=O)c2cncc(Cl)c2)CC[N@H+](Cc2ccccc2)C1 ZINC000798458019 659107988 /nfs/dbraw/zinc/10/79/88/659107988.db2.gz ITZGRUQUOJMJOR-SFHVURJKSA-N 1 0 379.913 2.926 20 0 GFADRO COc1cccc([C@H](CNC(=O)N2CCC=C(Br)C2)[NH+](C)C)c1 ZINC000799523421 659197372 /nfs/dbraw/zinc/19/73/72/659197372.db2.gz LFKHHFZGIUYASO-INIZCTEOSA-N 1 0 382.302 2.992 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2cc3c(cc2Cl)CCC3=O)[C@H](C)C1 ZINC000800917964 659348491 /nfs/dbraw/zinc/34/84/91/659348491.db2.gz VESUWYVCZMXNLZ-MLGOLLRUSA-N 1 0 384.929 2.820 20 0 GFADRO Cc1nn(C)c(Br)c1C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000800931866 659352623 /nfs/dbraw/zinc/35/26/23/659352623.db2.gz FCKOGHDSLDBINB-UHFFFAOYSA-N 1 0 392.301 2.532 20 0 GFADRO O=C(COc1ccccc1)N1CC[C@H]([NH2+][C@@H]2CC[C@@H]3SCCS[C@H]23)C1 ZINC000800994411 659362817 /nfs/dbraw/zinc/36/28/17/659362817.db2.gz VDPLGBWUGKRTOE-LKCYJCQHSA-N 1 0 378.563 2.636 20 0 GFADRO Cc1nn(C)c(Br)c1C(=O)NCc1ccc(CC[NH+](C)C)cc1 ZINC000801103038 659369052 /nfs/dbraw/zinc/36/90/52/659369052.db2.gz WMLCUPRTWVIMPL-UHFFFAOYSA-N 1 0 379.302 2.525 20 0 GFADRO Cc1ccc(CN(CC[NH+](C)C)C(=O)c2c(C)nn(C)c2Br)o1 ZINC000801140786 659371040 /nfs/dbraw/zinc/37/10/40/659371040.db2.gz ALTDKZSNXISFSL-UHFFFAOYSA-N 1 0 383.290 2.596 20 0 GFADRO Cc1cc(NC(=O)c2c(C)nn(C)c2Br)n(C2CC[NH+](C)CC2)n1 ZINC000801166675 659372863 /nfs/dbraw/zinc/37/28/63/659372863.db2.gz LSBRLPNAANGLNI-UHFFFAOYSA-N 1 0 395.305 2.515 20 0 GFADRO O=C(NCCC[NH+]1CCCCC1)NC[C@@H](O)c1cccc(Br)c1 ZINC000801967750 659438025 /nfs/dbraw/zinc/43/80/25/659438025.db2.gz LMXOYTVPIQOSRI-MRXNPFEDSA-N 1 0 384.318 2.658 20 0 GFADRO C[C@H]([NH2+]C[C@@H](O)c1cccc(Br)c1)c1ccc(-n2cnnn2)cc1 ZINC000802316828 659477278 /nfs/dbraw/zinc/47/72/78/659477278.db2.gz CODZLDOWHNRXBN-YVEFUNNKSA-N 1 0 388.269 2.809 20 0 GFADRO C[NH+](C)C[C@H](NC(=O)C(=O)Nc1cccnc1Cl)c1ccc(Cl)cc1 ZINC000802634467 659491361 /nfs/dbraw/zinc/49/13/61/659491361.db2.gz OQEGDZOIIKBJSG-AWEZNQCLSA-N 1 0 381.263 2.746 20 0 GFADRO C[N@@H+]1CCC[C@@H]2CN(CN3Cc4ccc(Br)cc4C3=O)CC[C@H]21 ZINC000802732748 659499821 /nfs/dbraw/zinc/49/98/21/659499821.db2.gz HTAIKPQDACSHDI-RHSMWYFYSA-N 1 0 378.314 2.779 20 0 GFADRO CCC[N@H+](C)[C@H](CNC(=O)[C@H]1CSCN1C(C)=O)c1ccc(Cl)cc1 ZINC000804128885 659622801 /nfs/dbraw/zinc/62/28/01/659622801.db2.gz TWCYLEHZTWTWGB-IAGOWNOFSA-N 1 0 383.945 2.761 20 0 GFADRO C[C@@H](C[NH+](C)C)NC(=O)c1cnn(-c2ncccc2Cl)c1C(F)(F)Cl ZINC000805424405 659776227 /nfs/dbraw/zinc/77/62/27/659776227.db2.gz ZVYSBGQRJFVNDI-VIFPVBQESA-N 1 0 392.237 2.889 20 0 GFADRO C[C@@H]([NH2+]C[C@@H](O)Cc1cccc(Cl)c1)c1cccc(NS(C)(=O)=O)c1 ZINC000805748754 659806937 /nfs/dbraw/zinc/80/69/37/659806937.db2.gz GCFHIFYIJFEONI-ACJLOTCBSA-N 1 0 382.913 2.966 20 0 GFADRO COc1nc(Br)ccc1NC(=O)N1CC[C@H]([NH+]2CCCC2)[C@@H]1C ZINC000806451959 659832452 /nfs/dbraw/zinc/83/24/52/659832452.db2.gz WCUCHVSBFYCPTR-AAEUAGOBSA-N 1 0 383.290 2.943 20 0 GFADRO C[NH+]1CCC(CNC(=S)NC[C@@H](O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000806593175 659836638 /nfs/dbraw/zinc/83/66/38/659836638.db2.gz GHOIKHGUCSMKFP-OAHLLOKOSA-N 1 0 375.460 2.545 20 0 GFADRO C[NH+](C)C[C@@H](CNC(=O)CSc1cccc[n+]1[O-])c1ccc(Cl)cc1 ZINC000808113235 659877338 /nfs/dbraw/zinc/87/73/38/659877338.db2.gz BTBHNYQHZFKUDR-OAHLLOKOSA-N 1 0 379.913 2.527 20 0 GFADRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1Cn1c2ccc(Br)cc2oc1=O ZINC000808189866 659880886 /nfs/dbraw/zinc/88/08/86/659880886.db2.gz BPFGHDQSPNVGTR-GXTWGEPZSA-N 1 0 380.286 2.873 20 0 GFADRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1Cn1nnn(-c2ccc(Cl)cc2)c1=S ZINC000808191850 659881261 /nfs/dbraw/zinc/88/12/61/659881261.db2.gz OJMNWJLYMUFOJG-CJNGLKHVSA-N 1 0 378.933 2.968 20 0 GFADRO Cc1nn(Cc2ccccc2)c(Cl)c1C[NH2+]C[C@@H]1CCCS(=O)(=O)C1 ZINC000808426798 659893872 /nfs/dbraw/zinc/89/38/72/659893872.db2.gz HTBIRNXYJZYKEJ-INIZCTEOSA-N 1 0 381.929 2.808 20 0 GFADRO O[C@H]1c2ccccc2OC[C@H]1[NH2+]Cc1cc(Br)cc2c1OCC2 ZINC000808454894 659894818 /nfs/dbraw/zinc/89/48/18/659894818.db2.gz UILJIJQASWCKEI-WBVHZDCISA-N 1 0 376.250 2.968 20 0 GFADRO CCS(=O)(=O)N1CCC([C@@H](C)[N@H+](C)C[C@H](O)c2ccccc2Cl)CC1 ZINC000808775692 659905256 /nfs/dbraw/zinc/90/52/56/659905256.db2.gz HPOAYXHXKTWYPO-KDOFPFPSSA-N 1 0 388.961 2.755 20 0 GFADRO Cc1cc(Br)cc(C[N@@H+]2CCC[C@@H]2C[C@@]2(C)NC(=O)NC2=O)c1 ZINC000809704390 659936769 /nfs/dbraw/zinc/93/67/69/659936769.db2.gz BPGCEIKAAHCYMK-RHSMWYFYSA-N 1 0 380.286 2.710 20 0 GFADRO CSc1ccc(C[NH2+]CC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)s1 ZINC000810134105 659963988 /nfs/dbraw/zinc/96/39/88/659963988.db2.gz PZSBAXWCHZEGGE-UHFFFAOYSA-N 1 0 385.555 2.639 20 0 GFADRO COc1cccc([C@@H](O)C[NH2+]Cc2cn3ccc(Br)cc3n2)c1 ZINC000810143212 659964451 /nfs/dbraw/zinc/96/44/51/659964451.db2.gz CVNMXPIMJNNWEV-INIZCTEOSA-N 1 0 376.254 2.929 20 0 GFADRO NS(=O)(=O)c1ccc2c(c1)[C@@H]([NH2+]C[C@H](O)c1ccccc1Cl)CCC2 ZINC000810226209 659967133 /nfs/dbraw/zinc/96/71/33/659967133.db2.gz CEJFLWZAYGHZEO-ROUUACIJSA-N 1 0 380.897 2.688 20 0 GFADRO Cc1cc(Br)ccc1C(=O)O[C@@H]1CCCN(c2cc[nH+]c(N)n2)C1 ZINC000810771323 659985233 /nfs/dbraw/zinc/98/52/33/659985233.db2.gz PFBMMTAZSITLAI-CYBMUJFWSA-N 1 0 391.269 2.956 20 0 GFADRO O=C(O[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cn(-c2ccccc2Br)nn1 ZINC000810837847 659988430 /nfs/dbraw/zinc/98/84/30/659988430.db2.gz PJSLJQSKIYTDHK-OLZOCXBDSA-N 1 0 391.269 2.813 20 0 GFADRO C[C@H]1CN(S(=O)(=O)c2c(Cl)ccnc2Cl)CC[N@@H+](C2CCC2)C1 ZINC000813752817 660062997 /nfs/dbraw/zinc/06/29/97/660062997.db2.gz YNACAEZCIVZJDJ-LLVKDONJSA-N 1 0 378.325 2.883 20 0 GFADRO COC(=O)[C@@H]1CC[N@H+](C[C@](C)(O)c2ccc(Br)cc2Cl)C1 ZINC000815021170 660102675 /nfs/dbraw/zinc/10/26/75/660102675.db2.gz LYFNBHKVRNFVFK-BMIGLBTASA-N 1 0 376.678 2.805 20 0 GFADRO O=S(=O)(NCCCCC[NH+]1CCCC1)c1ccc2nc(Cl)cnc2c1 ZINC000815069678 660109215 /nfs/dbraw/zinc/10/92/15/660109215.db2.gz FEAKDBVDXSJDLG-UHFFFAOYSA-N 1 0 382.917 2.828 20 0 GFADRO CS[C@@H]1CN(C[C@](C)(O)c2ccc(Br)cc2F)C[C@H]1[NH+](C)C ZINC000815079041 660110235 /nfs/dbraw/zinc/11/02/35/660110235.db2.gz LKWPNBPADUZMAQ-OAGGEKHMSA-N 1 0 391.350 2.773 20 0 GFADRO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)c2cn3c(Br)cnc3s2)C1 ZINC000815738951 660129658 /nfs/dbraw/zinc/12/96/58/660129658.db2.gz JOTAVYYSHYMAOB-LBPRGKRZSA-N 1 0 397.342 2.962 20 0 GFADRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3cn4c(Br)cnc4s3)CC[C@H]21 ZINC000815824918 660132226 /nfs/dbraw/zinc/13/22/26/660132226.db2.gz YLELUFSEKAIAKY-WDEREUQCSA-N 1 0 383.315 2.715 20 0 GFADRO CC[NH+](CC)Cc1ccc(C(=O)OCc2c(Br)nnn2C)cc1 ZINC000816146810 660146748 /nfs/dbraw/zinc/14/67/48/660146748.db2.gz QXAFGUPEOSOYNM-UHFFFAOYSA-N 1 0 381.274 2.776 20 0 GFADRO CS(=O)(=O)[C@@H]1CCC[C@@H]([NH2+]C[C@H](O)c2ccc(OC(F)(F)F)cc2)C1 ZINC000816544593 660160905 /nfs/dbraw/zinc/16/09/05/660160905.db2.gz NAVZJRRVZJPJPD-YUELXQCFSA-N 1 0 381.416 2.564 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)[C@@H]1CSC(c2ccccc2O)=N1)c1cccs1 ZINC000816815780 660169445 /nfs/dbraw/zinc/16/94/45/660169445.db2.gz CSUCVVIPZKWPIV-UONOGXRCSA-N 1 0 375.519 2.735 20 0 GFADRO C[N@@H+]1CCC[C@@H](CCNS(=O)(=O)c2cnc(Cl)c(Br)c2)C1 ZINC000841546503 661295456 /nfs/dbraw/zinc/29/54/56/661295456.db2.gz QISWEISYLGJOSR-JTQLQIEISA-N 1 0 396.738 2.508 20 0 GFADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)Nc1cnc(Cl)c(C(F)(F)F)c1 ZINC000841799733 661314653 /nfs/dbraw/zinc/31/46/53/661314653.db2.gz CDPGQDWTSDVLNP-NSHDSACASA-N 1 0 380.798 2.986 20 0 GFADRO COc1cc(NC(=O)NC[C@@H]2CSCCS2)ccc1OCC[NH+](C)C ZINC000841820216 661315944 /nfs/dbraw/zinc/31/59/44/661315944.db2.gz KUSWQEQFLUOFJO-CQSZACIVSA-N 1 0 385.555 2.606 20 0 GFADRO [NH3+]C1CCC(NC(=O)N2CCO[C@@H](c3ccccc3Br)C2)CC1 ZINC000841944880 661318240 /nfs/dbraw/zinc/31/82/40/661318240.db2.gz OQURSPTYPHLWHD-SEEARECTSA-N 1 0 382.302 2.802 20 0 GFADRO CC(C)[C@H]([NH3+])CNC(=O)N1CCC[C@@H]([C@H](O)c2ccc(Br)cc2)C1 ZINC000841944573 661318290 /nfs/dbraw/zinc/31/82/90/661318290.db2.gz LRKNJWZWEVZENK-DJIMGWMZSA-N 1 0 398.345 2.887 20 0 GFADRO CC(C)(C[NH2+]C[C@](C)(O)c1ccc(Br)cc1Cl)OCCO ZINC000843082323 661366745 /nfs/dbraw/zinc/36/67/45/661366745.db2.gz SDMLOHZJEUIUOX-HNNXBMFYSA-N 1 0 380.710 2.687 20 0 GFADRO C[NH2+]C[C@@H](C)c1noc(Cc2csc(NC(=O)Cc3cccs3)n2)n1 ZINC000842581194 661344313 /nfs/dbraw/zinc/34/43/13/661344313.db2.gz WSYPQCBAHZAWMT-SNVBAGLBSA-N 1 0 377.495 2.683 20 0 GFADRO Cc1cc(Br)cc(C)c1S(=O)(=O)N(C)C1CCC([NH3+])CC1 ZINC000842736479 661351691 /nfs/dbraw/zinc/35/16/91/661351691.db2.gz DGQDQPCOAOESDZ-UHFFFAOYSA-N 1 0 375.332 2.956 20 0 GFADRO COC(=O)c1cc(S(=O)(=O)N(CCC[NH3+])CC2CCCC2)ccc1Cl ZINC000842861355 661357677 /nfs/dbraw/zinc/35/76/77/661357677.db2.gz SICVMKLLTBKAFS-UHFFFAOYSA-N 1 0 388.917 2.656 20 0 GFADRO O[C@H](C[NH2+]C[C@@H](O)c1ccccc1Br)COc1cccc(F)c1 ZINC000843065931 661365936 /nfs/dbraw/zinc/36/59/36/661365936.db2.gz NJAWYNBFUROJGA-CXAGYDPISA-N 1 0 384.245 2.651 20 0 GFADRO COc1cccc([C@@H](O)C[NH2+]C[C@@H](O)COc2cccc(Br)c2)c1 ZINC000843068390 661366097 /nfs/dbraw/zinc/36/60/97/661366097.db2.gz MZIHVUGBKRWFRO-QAPCUYQASA-N 1 0 396.281 2.521 20 0 GFADRO Cc1ccccc1[C@@H](O)C[NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000843073792 661366654 /nfs/dbraw/zinc/36/66/54/661366654.db2.gz JPHYQRDCEAPOCU-QAPCUYQASA-N 1 0 398.272 2.960 20 0 GFADRO O[C@H](C[NH2+]C[C@H](O)c1ccsc1)COc1cc(F)cc(Br)c1 ZINC000843081599 661366769 /nfs/dbraw/zinc/36/67/69/661366769.db2.gz DIXSQLBIBTWPNI-HIFRSBDPSA-N 1 0 390.274 2.713 20 0 GFADRO CC(C)(C)OC(=O)NCC[C@H](O)C[NH2+]C[C@H](O)c1c(Cl)cccc1Cl ZINC000843084587 661366899 /nfs/dbraw/zinc/36/68/99/661366899.db2.gz QYMCCIMFNMQTRK-FZMZJTMJSA-N 1 0 393.311 2.892 20 0 GFADRO Cc1cc(F)ccc1[C@@H](O)C[NH2+]C[C@@H](O)COc1ccccc1Br ZINC000843092695 661367395 /nfs/dbraw/zinc/36/73/95/661367395.db2.gz DMJRHTYGJPZUCE-PBHICJAKSA-N 1 0 398.272 2.960 20 0 GFADRO Cc1ccccc1[C@@H](O)C[NH2+]C[C@H](O)COc1ccccc1Br ZINC000843094424 661367687 /nfs/dbraw/zinc/36/76/87/661367687.db2.gz KVUFOWZGIMXLAC-YOEHRIQHSA-N 1 0 380.282 2.820 20 0 GFADRO C[C@H]([NH2+]C[C@H](O)COC1CCOCC1)[C@@H](O)c1c(Cl)cccc1Cl ZINC000843103579 661368147 /nfs/dbraw/zinc/36/81/47/661368147.db2.gz MOGWJZJWOLUUBJ-NVGCLXPQSA-N 1 0 378.296 2.561 20 0 GFADRO O[C@H](C[NH2+]C[C@@H]1CCC2(CCOCC2)[C@H]1O)c1ccc(Br)cc1 ZINC000843112243 661368739 /nfs/dbraw/zinc/36/87/39/661368739.db2.gz DGPQKDBKRVYUAH-UAGQMJEPSA-N 1 0 384.314 2.640 20 0 GFADRO OCC1([C@@H]([NH2+]C[C@@H](O)c2ccc(Br)cc2)C2CC2)CCOCC1 ZINC000843114377 661369133 /nfs/dbraw/zinc/36/91/33/661369133.db2.gz JNQPEYUIGWDCMP-SJORKVTESA-N 1 0 384.314 2.640 20 0 GFADRO O[C@H](C[NH2+][C@H]1COc2ccccc2[C@H]1O)COc1c(Cl)cccc1Cl ZINC000843117828 661369821 /nfs/dbraw/zinc/36/98/21/661369821.db2.gz UKXBJJYUJXOKNT-XQAQDONZSA-N 1 0 384.259 2.817 20 0 GFADRO COc1cc(Br)c(Cc2noc(C3CC[NH2+]CC3)n2)cc1OC ZINC000843196415 661371631 /nfs/dbraw/zinc/37/16/31/661371631.db2.gz DJTCESKVZFLIJV-UHFFFAOYSA-N 1 0 382.258 2.907 20 0 GFADRO [NH3+]CC1(c2nc(Cc3cc4c(cc3Br)OCO4)no2)CCCC1 ZINC000843203109 661372423 /nfs/dbraw/zinc/37/24/23/661372423.db2.gz OUHCQUFCBKTCGR-UHFFFAOYSA-N 1 0 380.242 2.922 20 0 GFADRO FC(F)Oc1cc(Br)ccc1-c1noc(C[C@H]2C[NH2+]CCO2)n1 ZINC000843210193 661372938 /nfs/dbraw/zinc/37/29/38/661372938.db2.gz VPEBQJAQBKLDDI-VIFPVBQESA-N 1 0 390.184 2.631 20 0 GFADRO Ic1cc(-c2noc(C[C@H]3CSCC[NH2+]3)n2)cs1 ZINC000843212636 661373038 /nfs/dbraw/zinc/37/30/38/661373038.db2.gz IVZKUNNNXYZZIW-QMMMGPOBSA-N 1 0 393.275 2.650 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)CN1C(=S)N=NC1c1ccc(Cl)cc1 ZINC000843303817 661377287 /nfs/dbraw/zinc/37/72/87/661377287.db2.gz IBKJKCUPZGQROZ-BXUZGUMPSA-N 1 0 379.917 2.616 20 0 GFADRO [NH3+]C1C[C@H]2CCC[C@@H](C1)N2CC(=O)Nc1ccccc1I ZINC000843362061 661378520 /nfs/dbraw/zinc/37/85/20/661378520.db2.gz OSDQFZWWXGISGR-YHWZYXNKSA-N 1 0 399.276 2.574 20 0 GFADRO O=S(=O)(CCN1CCC2(C1)CC[NH2+]CC2)c1cc(Cl)ccc1Cl ZINC000843364028 661378689 /nfs/dbraw/zinc/37/86/89/661378689.db2.gz LNJSGRJVBYNMDL-UHFFFAOYSA-N 1 0 377.337 2.843 20 0 GFADRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1Cc1nc2ccc(Br)cc2s1 ZINC000843429483 661381153 /nfs/dbraw/zinc/38/11/53/661381153.db2.gz WVXVCDPFVCLYOV-LLVKDONJSA-N 1 0 397.342 2.611 20 0 GFADRO C[C@@H](Oc1ccccc1Br)C(=O)Nc1cnn(C2CC[NH2+]CC2)c1 ZINC000843456504 661382107 /nfs/dbraw/zinc/38/21/07/661382107.db2.gz CTDSGJZSQAVTEY-GFCCVEGCSA-N 1 0 393.285 2.976 20 0 GFADRO Cc1n[nH]c(C(=O)N2CC[NH2+]C[C@H]2c2cccc(Cl)c2)c1Br ZINC000843473270 661382656 /nfs/dbraw/zinc/38/26/56/661382656.db2.gz SCIMFEKJNITHCE-LBPRGKRZSA-N 1 0 383.677 2.921 20 0 GFADRO COCCOc1c(Cl)cc(NC(=O)CO[C@@H]2CCC[NH2+]C2)cc1Cl ZINC000843492330 661383400 /nfs/dbraw/zinc/38/34/00/661383400.db2.gz QARGZCNQQRRLJE-GFCCVEGCSA-N 1 0 377.268 2.726 20 0 GFADRO C[NH+]1CCN(CCCNC(=O)C(F)(F)c2cccc(Cl)c2Cl)CC1 ZINC000843756956 661391793 /nfs/dbraw/zinc/39/17/93/661391793.db2.gz GUYLLXSDWUFCAO-UHFFFAOYSA-N 1 0 380.266 2.839 20 0 GFADRO C[C@@H](CNC(=O)c1c2ccc(Br)cc2nn1C)[NH+]1CCCCC1 ZINC000843770455 661392077 /nfs/dbraw/zinc/39/20/77/661392077.db2.gz SAQBZKIRUKSDHQ-LBPRGKRZSA-N 1 0 379.302 2.940 20 0 GFADRO CN(C)c1nc2sc(C(=O)Nc3cnn(C4CC[NH2+]CC4)c3)cc2s1 ZINC000844195027 661409372 /nfs/dbraw/zinc/40/93/72/661409372.db2.gz PBKAIJZZDJRCGQ-UHFFFAOYSA-N 1 0 376.511 2.797 20 0 GFADRO CSCCCNC(=S)N1CCO[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]21 ZINC000844581298 661428967 /nfs/dbraw/zinc/42/89/67/661428967.db2.gz VYIRWUIUIDOQDN-QZTJIDSGSA-N 1 0 379.595 2.589 20 0 GFADRO [NH3+][C@@H]1CCC[C@H]1Cc1nc(COc2ccc(I)cc2)no1 ZINC000844917970 661449188 /nfs/dbraw/zinc/44/91/88/661449188.db2.gz OKDUPRIQOVKRRL-GXFFZTMASA-N 1 0 399.232 2.923 20 0 GFADRO O=C(NCCC[C@@H]1CC1(Cl)Cl)N1CC[NH+](CC2CCOCC2)CC1 ZINC000845672339 661487606 /nfs/dbraw/zinc/48/76/06/661487606.db2.gz JQAMKRCCZTYIEK-OAHLLOKOSA-N 1 0 378.344 2.714 20 0 GFADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]CC[C@]1(C)C[C@@]1(F)Cl ZINC000846039627 661526334 /nfs/dbraw/zinc/52/63/34/661526334.db2.gz VBJHNWDIOUHPSC-DFBGVHRSSA-N 1 0 398.331 2.999 20 0 GFADRO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCCN2S(=O)(=O)Cc2ccc(Cl)c(F)c2)C1 ZINC000846234588 661539628 /nfs/dbraw/zinc/53/96/28/661539628.db2.gz IDIXOISWYPHKAR-XOKHGSTOSA-N 1 0 390.908 2.670 20 0 GFADRO Cc1c(Br)nccc1NC(=O)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000846312398 661544483 /nfs/dbraw/zinc/54/44/83/661544483.db2.gz RRXYNGLTZXGETB-GUTXKFCHSA-N 1 0 397.317 2.903 20 0 GFADRO C[NH+](C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC[C@]1(C)C[C@@]1(F)Cl ZINC000846398491 661547618 /nfs/dbraw/zinc/54/76/18/661547618.db2.gz HJRULXYABXMRIV-VUCTXSBTSA-N 1 0 379.904 2.652 20 0 GFADRO C[NH+](C)CCn1cc(NC(=O)Cc2cc(C(F)(F)F)cc(Cl)n2)cn1 ZINC000846558607 661556215 /nfs/dbraw/zinc/55/62/15/661556215.db2.gz PJWCZJYOQZNUBE-UHFFFAOYSA-N 1 0 375.782 2.693 20 0 GFADRO COCC[N@@H+]1CCN(C(=O)C[C@@H](O)c2cc(Cl)cc(Cl)c2)C(C)(C)C1 ZINC000846564357 661556601 /nfs/dbraw/zinc/55/66/01/661556601.db2.gz VWXPJOMNSVJKGO-MRXNPFEDSA-N 1 0 389.323 2.986 20 0 GFADRO CN(CC[NH+]1CCCCC1)C(=O)/C=C\c1ccc(I)o1 ZINC000846613641 661559736 /nfs/dbraw/zinc/55/97/36/661559736.db2.gz WQLJUIZPFMMFHW-VURMDHGXSA-N 1 0 388.249 2.842 20 0 GFADRO C[NH+]1CCC(ONC(=O)c2ccc(Br)cc2Br)CC1 ZINC000846647293 661560726 /nfs/dbraw/zinc/56/07/26/661560726.db2.gz LNCRZQWZYXDYBR-UHFFFAOYSA-N 1 0 392.091 2.967 20 0 GFADRO Cc1cc(NC(=O)N2CCC[C@H]([NH+]3CCOCC3)CC2)cnc1Br ZINC000847166850 661578467 /nfs/dbraw/zinc/57/84/67/661578467.db2.gz NEBGXFBKTANHNX-HNNXBMFYSA-N 1 0 397.317 2.871 20 0 GFADRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)Nc2cccc(C3SCCS3)c2)C1 ZINC000847565677 661598123 /nfs/dbraw/zinc/59/81/23/661598123.db2.gz IDTUVNOKVRPRPL-JNSHFYNHSA-N 1 0 379.551 2.560 20 0 GFADRO COCC[NH+]1CCC(OC(=O)Cc2sc(SC(F)F)nc2C)CC1 ZINC000847884689 661615079 /nfs/dbraw/zinc/61/50/79/661615079.db2.gz DJZFTBOXDQKRKF-UHFFFAOYSA-N 1 0 380.482 2.963 20 0 GFADRO COCC[NH+]1CCC(OC(=O)c2cccc(I)c2)CC1 ZINC000847880583 661615092 /nfs/dbraw/zinc/61/50/92/661615092.db2.gz QGVHKAWYLKQFKF-UHFFFAOYSA-N 1 0 389.233 2.559 20 0 GFADRO CCN1CCC([NH+]2CCC(C(=O)N3CCC=C(Br)C3)CC2)CC1 ZINC000848037370 661622232 /nfs/dbraw/zinc/62/22/32/661622232.db2.gz XGUHGOQINCOPIY-UHFFFAOYSA-N 1 0 384.362 2.694 20 0 GFADRO CCC(C)(C)[NH+]1CCN(C(=O)c2cccnc2I)CC1 ZINC000848390866 661645418 /nfs/dbraw/zinc/64/54/18/661645418.db2.gz IWRUIGXJPYFQCF-UHFFFAOYSA-N 1 0 387.265 2.633 20 0 GFADRO O=C([C@@H]1C[C@]12CCC[NH2+]C2)N1CCO[C@@H](c2ccccc2Br)C1 ZINC000848398242 661645796 /nfs/dbraw/zinc/64/57/96/661645796.db2.gz RYVBGTSBEOYYTR-LESCRADOSA-N 1 0 379.298 2.739 20 0 GFADRO C[C@H](NC(=O)N[C@H](C[NH3+])C(F)(F)F)c1nc(-c2ccc(Cl)cc2)no1 ZINC000848597010 661667234 /nfs/dbraw/zinc/66/72/34/661667234.db2.gz DAJAREFUWOUNQW-OIBJUYFYSA-N 1 0 377.754 2.640 20 0 GFADRO C[C@H](C[NH2+]C[C@@H](O)c1ccc(F)c(Br)c1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000848676613 661672249 /nfs/dbraw/zinc/67/22/49/661672249.db2.gz PNZXDXBEOPIUNS-KOFHJDLBSA-N 1 0 389.309 2.709 20 0 GFADRO O=C1CC[C@@H]([NH+]2CCN(c3cc(C(F)(F)F)cc(Cl)n3)CC2)CCN1 ZINC000848720367 661678229 /nfs/dbraw/zinc/67/82/29/661678229.db2.gz VHWJTPBPALOCPM-GFCCVEGCSA-N 1 0 376.810 2.545 20 0 GFADRO COc1cc2[nH+]ccc(NC[C@H]3CN(C4CC4)C(=O)O3)c2cc1Br ZINC000848790903 661683814 /nfs/dbraw/zinc/68/38/14/661683814.db2.gz MNLWUCGRIVHKHE-NSHDSACASA-N 1 0 392.253 2.823 20 0 GFADRO COc1ccc(CCNC(=[NH2+])NC[C@@H](O)c2cccc(Br)c2)cc1 ZINC000848991497 661690444 /nfs/dbraw/zinc/69/04/44/661690444.db2.gz JQNDXOLMPKKZDU-QGZVFWFLSA-N 1 0 392.297 2.848 20 0 GFADRO C[C@H]1CN(C(=[NH2+])NCc2ccc(I)cc2Cl)CCO1 ZINC000849094847 661691515 /nfs/dbraw/zinc/69/15/15/661691515.db2.gz RQOZGCBWYZOOEI-VIFPVBQESA-N 1 0 393.656 2.690 20 0 GFADRO COc1ccc(C[C@@H](CO)CNC(=[NH2+])N2CCC[C@H](C)C2)cc1Br ZINC000849115213 661693294 /nfs/dbraw/zinc/69/32/94/661693294.db2.gz KCLQMABOCMQFGY-DZGCQCFKSA-N 1 0 398.345 2.865 20 0 GFADRO CO[C@H](C[NH2+]C[C@@](C)(O)c1ccc(Br)cc1Cl)[C@@H]1CCOC1 ZINC000849326372 661705775 /nfs/dbraw/zinc/70/57/75/661705775.db2.gz ABRNQBRXCUCFMY-HFBAOOFYSA-N 1 0 392.721 2.951 20 0 GFADRO CC(=O)NCc1ccc(C[NH2+]C[C@H](O)c2ccccc2Br)cc1 ZINC000849326753 661705902 /nfs/dbraw/zinc/70/59/02/661705902.db2.gz FSFWDQIZAJRHEY-SFHVURJKSA-N 1 0 377.282 2.908 20 0 GFADRO CC[N@@H+]1CCCC[C@H]1CN1C(=O)N[C@@H](c2ccccc2Br)C1=O ZINC000849355097 661709109 /nfs/dbraw/zinc/70/91/09/661709109.db2.gz YYWRFTFIFILKCA-WFASDCNBSA-N 1 0 380.286 2.916 20 0 GFADRO COc1c(Br)cc(Cl)cc1S(=O)(=O)NCC[C@@H](C)[NH+](C)C ZINC000849430032 661722998 /nfs/dbraw/zinc/72/29/98/661722998.db2.gz YKVNGIBQQJORSJ-SECBINFHSA-N 1 0 399.738 2.730 20 0 GFADRO O=S(=O)(N[C@H]1CC[N@@H+](C2CCCCC2)C1)c1cncc(Br)c1 ZINC000849461672 661730325 /nfs/dbraw/zinc/73/03/25/661730325.db2.gz WMFCOEYACPSOHG-ZDUSSCGKSA-N 1 0 388.331 2.529 20 0 GFADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)Nc2cc(F)ccc2Br)cn1 ZINC000849560504 661734350 /nfs/dbraw/zinc/73/43/50/661734350.db2.gz BAVKUBNECKUKGN-KBPBESRZSA-N 1 0 395.276 2.996 20 0 GFADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+][C@@H]1COC2(CCC2)C1 ZINC000850371033 661773249 /nfs/dbraw/zinc/77/32/49/661773249.db2.gz YDSQUIPAXDEGCD-DOMZBBRYSA-N 1 0 397.313 2.764 20 0 GFADRO COC(=O)N(C)CC[NH2+]Cc1cc(Br)c(OC(F)F)c(OC)c1 ZINC000850389719 661774052 /nfs/dbraw/zinc/77/40/52/661774052.db2.gz GLXVWHDDAXOSSR-UHFFFAOYSA-N 1 0 397.216 2.847 20 0 GFADRO C[C@@H]([NH2+]C1CCN(S(=O)(=O)C(F)(F)F)CC1)c1cc2cnccc2o1 ZINC000850441215 661776124 /nfs/dbraw/zinc/77/61/24/661776124.db2.gz RORQROFVSUAFIK-SNVBAGLBSA-N 1 0 377.388 2.792 20 0 GFADRO COC(=O)CS(=O)(=O)Cc1ccc(C[NH2+][C@H](C)C(C)(C)C(F)F)cc1 ZINC000850445605 661776501 /nfs/dbraw/zinc/77/65/01/661776501.db2.gz GAUHADNSJJTCKH-GFCCVEGCSA-N 1 0 377.453 2.544 20 0 GFADRO C[C@@H]([NH2+]CC[S@](=O)CC(F)(F)F)c1ccc(N2CCCOC2=O)cc1 ZINC000850495319 661779427 /nfs/dbraw/zinc/77/94/27/661779427.db2.gz ZSXNHBAMXAOVTO-YDBLSZJJSA-N 1 0 378.416 2.995 20 0 GFADRO C[C@H]([NH2+]CC[S@@](=O)CC(F)(F)F)c1cc(Br)ncc1F ZINC000850495837 661779609 /nfs/dbraw/zinc/77/96/09/661779609.db2.gz JQGHTWXEFBVRID-SVWIBVJCSA-N 1 0 377.201 2.945 20 0 GFADRO COc1ccc([C@H](C)[C@@H](C)[NH2+]CCS(=O)(=O)CC(F)(F)F)cc1OC ZINC000850517830 661780095 /nfs/dbraw/zinc/78/00/95/661780095.db2.gz DMAMUBIGDLYKID-VXGBXAGGSA-N 1 0 383.432 2.763 20 0 GFADRO CC1(C)[C@H]([NH2+]CCS(=O)(=O)CC(F)(F)F)C[C@@H]1OCc1ccccc1 ZINC000850518307 661780129 /nfs/dbraw/zinc/78/01/29/661780129.db2.gz DYFRZTQCPMICHV-CABCVRRESA-N 1 0 379.444 2.937 20 0 GFADRO O=S(=O)(CC[NH2+][C@@H](Cc1ccccc1Cl)[C@H]1CCCO1)CC(F)(F)F ZINC000850519243 661780899 /nfs/dbraw/zinc/78/08/99/661780899.db2.gz YLNIFMSPUHAUMK-LSDHHAIUSA-N 1 0 399.862 2.997 20 0 GFADRO CCC[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2ccc3nc(SC)sc3c2)C1 ZINC000850682064 661785671 /nfs/dbraw/zinc/78/56/71/661785671.db2.gz MIDMMCZKNMGRBX-LBPRGKRZSA-N 1 0 378.523 2.557 20 0 GFADRO CO[C@H]1CC[C@H]([NH+]2CCN(C(=O)COc3ccc(Br)cc3)CC2)C1 ZINC000851768715 661831398 /nfs/dbraw/zinc/83/13/98/661831398.db2.gz OCIAWHSFBWGFBB-RDJZCZTQSA-N 1 0 397.313 2.540 20 0 GFADRO CCOP(=O)(OCC)[C@@H](O)C[NH2+][C@@H](CO)c1cccc(Br)c1 ZINC000851918872 661846018 /nfs/dbraw/zinc/84/60/18/661846018.db2.gz KQTOXUATHXQQEC-UONOGXRCSA-N 1 0 396.218 2.657 20 0 GFADRO CCOP(=O)(OCC)[C@H](O)C[N@@H+]1CCC[C@@H](Oc2ncccc2F)C1 ZINC000851992362 661848217 /nfs/dbraw/zinc/84/82/17/661848217.db2.gz FDKZDGSQNHZLKO-HIFRSBDPSA-N 1 0 376.365 2.648 20 0 GFADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)N1CC[C@@H]1c1ccc(Br)cc1 ZINC000852066521 661851267 /nfs/dbraw/zinc/85/12/67/661851267.db2.gz QHMAGCGKVQCHGK-BRWVUGGUSA-N 1 0 394.313 2.769 20 0 GFADRO COc1cc(Br)ccc1CCC[N@@H+]1CC[C@H](N2CCOC2=O)C1 ZINC000852438202 661864113 /nfs/dbraw/zinc/86/41/13/661864113.db2.gz NRXLHVACAYRMCA-HNNXBMFYSA-N 1 0 383.286 2.917 20 0 GFADRO COC(=O)NC1CC[NH+](C[C@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000852770166 661874182 /nfs/dbraw/zinc/87/41/82/661874182.db2.gz FZGSQYHMELADDZ-ZDUSSCGKSA-N 1 0 377.268 2.554 20 0 GFADRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)c1cnn(-c2ccccc2)c1Br ZINC000852798639 661874658 /nfs/dbraw/zinc/87/46/58/661874658.db2.gz MSYFZUHWGHRVDN-WFASDCNBSA-N 1 0 377.286 2.882 20 0 GFADRO O=C(c1ccc(C(F)(F)Br)nc1)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000852821044 661875236 /nfs/dbraw/zinc/87/52/36/661875236.db2.gz XNEFVJPAQCNBGX-YPMHNXCESA-N 1 0 388.256 2.988 20 0 GFADRO O=C(NCCc1ccc(Br)cc1F)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000852837334 661875556 /nfs/dbraw/zinc/87/55/56/661875556.db2.gz UPIVGHCMEHZRQN-CYBMUJFWSA-N 1 0 383.183 2.789 20 0 GFADRO C[C@@]1(C(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)CC1(Br)Br ZINC000852874873 661876049 /nfs/dbraw/zinc/87/60/49/661876049.db2.gz VLALHPKGNPYLAX-AAEUAGOBSA-N 1 0 394.151 2.873 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CNC(=S)NC[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC000853033090 661879174 /nfs/dbraw/zinc/87/91/74/661879174.db2.gz ZESYIAKTECPNMQ-WFASDCNBSA-N 1 0 376.353 2.975 20 0 GFADRO CN(Cc1ccccc1Br)C(=O)CC[NH2+]C[C@@H](O)c1ccccn1 ZINC000853099988 661882393 /nfs/dbraw/zinc/88/23/93/661882393.db2.gz XITGFBGDXAHUKE-QGZVFWFLSA-N 1 0 392.297 2.516 20 0 GFADRO O[C@H](C[NH2+]C[C@H]1CCN(c2cccc(Br)c2)C1)c1ccccn1 ZINC000853100186 661882450 /nfs/dbraw/zinc/88/24/50/661882450.db2.gz ZIWUSQZTQOEUNY-RDTXWAMCSA-N 1 0 376.298 2.994 20 0 GFADRO COC(=O)[C@H]1C[C@H]([NH2+]C[C@@](C)(O)c2ccc(Br)cc2Cl)C1 ZINC000853130431 661883129 /nfs/dbraw/zinc/88/31/29/661883129.db2.gz YTFZGVRPJHELAP-XDMRBOTDSA-N 1 0 376.678 2.851 20 0 GFADRO Brc1ccc2nnc(NC3CC[NH+](C[C@@H]4CCCO4)CC3)n2c1 ZINC000853161360 661884235 /nfs/dbraw/zinc/88/42/35/661884235.db2.gz XOWJRTYNZHJNFN-AWEZNQCLSA-N 1 0 380.290 2.547 20 0 GFADRO Cc1nc(-c2ccc(Br)cc2)nn1C[N@@H+]1CC[C@H]2COC[C@@H]2C1 ZINC000853591131 661893814 /nfs/dbraw/zinc/89/38/14/661893814.db2.gz ZUHJXOACTTYPEJ-GJZGRUSLSA-N 1 0 377.286 2.942 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)N2CC(O)(c3ccc(Br)cc3)C2)C1 ZINC000853822724 661903097 /nfs/dbraw/zinc/90/30/97/661903097.db2.gz KQRHWGXYKUTSQU-HZPDHXFCSA-N 1 0 396.329 2.535 20 0 GFADRO C[NH+]1CCC2(CCN(C(=O)c3c(Br)nc4n3CCCC4)C2)CC1 ZINC000854500231 661937305 /nfs/dbraw/zinc/93/73/05/661937305.db2.gz KSANWHCACCURKY-UHFFFAOYSA-N 1 0 381.318 2.540 20 0 GFADRO Cc1nc(SC(F)F)sc1CC(=O)N1CCOC[C@H]1[C@@H]1CCC[N@H+]1C ZINC000854643617 661945286 /nfs/dbraw/zinc/94/52/86/661945286.db2.gz UHCUAFFWKYAXGA-RYUDHWBXSA-N 1 0 391.509 2.630 20 0 GFADRO Cc1ccc(C(=O)NCC2CC[NH+](C3CCOCC3)CC2)c(Br)n1 ZINC000855201170 661975635 /nfs/dbraw/zinc/97/56/35/661975635.db2.gz PCKHRTPGQXIIFR-UHFFFAOYSA-N 1 0 396.329 2.773 20 0 GFADRO O=C(c1c[nH]c2ccc(Br)cc12)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000856256290 662027160 /nfs/dbraw/zinc/02/71/60/662027160.db2.gz VCIJXHGAUPOQNW-AWEZNQCLSA-N 1 0 392.297 2.602 20 0 GFADRO C[C@H](C(=O)N1C[C@@H]([NH+](C)C)CCc2cc(Br)ccc21)n1cncn1 ZINC000857880929 662093397 /nfs/dbraw/zinc/09/33/97/662093397.db2.gz PNJWGPVURGOMNK-DOMZBBRYSA-N 1 0 392.301 2.511 20 0 GFADRO CCn1ncc(C(=O)N2C[C@@H]([NH+](C)C)CCc3cc(Br)ccc32)n1 ZINC000857880912 662093407 /nfs/dbraw/zinc/09/34/07/662093407.db2.gz OWJQBAHMSAJYEB-AWEZNQCLSA-N 1 0 392.301 2.584 20 0 GFADRO Cn1ncc(Br)c1C(=O)N1C[C@H]([NH+](C)C)CCc2ccccc21 ZINC000857926134 662094773 /nfs/dbraw/zinc/09/47/73/662094773.db2.gz QXTVBJPDQRGGFS-CYBMUJFWSA-N 1 0 377.286 2.706 20 0 GFADRO Cn1ncc(Br)c1C(=O)N1C[C@@H]([NH+](C)C)CCc2ccccc21 ZINC000857926136 662094784 /nfs/dbraw/zinc/09/47/84/662094784.db2.gz QXTVBJPDQRGGFS-ZDUSSCGKSA-N 1 0 377.286 2.706 20 0 GFADRO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)[C@H]2C[C@]2(C)Br)cc1 ZINC000858115254 662099374 /nfs/dbraw/zinc/09/93/74/662099374.db2.gz BJKDUIJXPISAIK-QAPCUYQASA-N 1 0 396.329 2.870 20 0 GFADRO COCO[C@@H](C)c1cc(F)c(C[NH2+]C[C@@](C)(O)COC)cc1Br ZINC000858134510 662100346 /nfs/dbraw/zinc/10/03/46/662100346.db2.gz SEIIJLKGPUSSMY-MEDUHNTESA-N 1 0 394.281 2.757 20 0 GFADRO Cn1cc(C[NH2+]CC2CCN(C(=O)c3ccccc3)CC2)c(Br)n1 ZINC000858143587 662101051 /nfs/dbraw/zinc/10/10/51/662101051.db2.gz NPSYEVZQAOEKIB-UHFFFAOYSA-N 1 0 391.313 2.825 20 0 GFADRO COCO[C@@H](C)c1cc(F)c(C[NH2+]CC[S@@](C)=O)cc1Br ZINC000858139863 662101097 /nfs/dbraw/zinc/10/10/97/662101097.db2.gz RVILIZNNBWKQSL-CHNSCGDPSA-N 1 0 382.295 2.738 20 0 GFADRO COc1cc(OC)c(C[C@H](C)[NH2+]Cc2cn(C)nc2Br)c(OC)c1 ZINC000858172555 662102925 /nfs/dbraw/zinc/10/29/25/662102925.db2.gz BTSNGDYNWUWIAN-NSHDSACASA-N 1 0 398.301 2.929 20 0 GFADRO COc1ncc(Br)cc1C[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000858249301 662106153 /nfs/dbraw/zinc/10/61/53/662106153.db2.gz NSFZSGVZZFJSED-CYBMUJFWSA-N 1 0 386.290 2.952 20 0 GFADRO C[C@H]([NH2+]CCOc1ccc(S(=O)(=O)C(F)(F)F)cc1)[C@H]1CCCCO1 ZINC000858385076 662110342 /nfs/dbraw/zinc/11/03/42/662110342.db2.gz ZPXUOMSGEKHGSA-SWLSCSKDSA-N 1 0 381.416 2.906 20 0 GFADRO CCOc1ccc(S(=O)(=O)N2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)c(C)c1 ZINC000858623696 662117024 /nfs/dbraw/zinc/11/70/24/662117024.db2.gz NIIQMTYBDDELNG-TZMCWYRMSA-N 1 0 380.432 2.542 20 0 GFADRO CN(CCCN1CC[NH+](C)CC1)C(=O)OCc1ccc(Br)cc1 ZINC000858993005 662130959 /nfs/dbraw/zinc/13/09/59/662130959.db2.gz MYZVOKSEDOPVGP-UHFFFAOYSA-N 1 0 384.318 2.655 20 0 GFADRO O=C1Nc2ccc(Br)cc2CC[C@@H]1[N@@H+]1CCC[C@H](C2OCCO2)C1 ZINC000859117873 662138581 /nfs/dbraw/zinc/13/85/81/662138581.db2.gz XEVGHCNABTYPSG-BBRMVZONSA-N 1 0 395.297 2.787 20 0 GFADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)Oc1cc(F)cc(Cl)c1 ZINC000859270987 662149014 /nfs/dbraw/zinc/14/90/14/662149014.db2.gz ZOQMGTNSRRFXPB-UHFFFAOYSA-N 1 0 375.853 2.622 20 0 GFADRO COC1CC[NH+](C2(CNC(=O)c3c(Cl)nn(C)c3Cl)CCCC2)CC1 ZINC000859273031 662149269 /nfs/dbraw/zinc/14/92/69/662149269.db2.gz FRPWYVUBTMSHGW-UHFFFAOYSA-N 1 0 389.327 2.880 20 0 GFADRO COC(=O)[C@@H]1CC[N@@H+]([C@H]2CCc3cc(Br)ccc3NC2=O)[C@@H]1C ZINC000859272890 662149271 /nfs/dbraw/zinc/14/92/71/662149271.db2.gz XPXSVAOCBKUZFW-YVLXSGLVSA-N 1 0 381.270 2.586 20 0 GFADRO C[N@@H+]1CCCC[C@@H](CNS(=O)(=O)c2cnc(Cl)c(Br)c2)C1 ZINC000859303375 662151757 /nfs/dbraw/zinc/15/17/57/662151757.db2.gz UPUWPSFCLHCSSU-JTQLQIEISA-N 1 0 396.738 2.508 20 0 GFADRO CC[NH+]1CCN([C@@H](C)CNC(=O)/C=C/c2csc(C(F)(F)F)c2)CC1 ZINC000859355346 662155757 /nfs/dbraw/zinc/15/57/57/662155757.db2.gz KBQVJBUDMMSAMW-IHVVCDCBSA-N 1 0 375.460 2.922 20 0 GFADRO CC[NH+]1CCN([C@@H](C)CNC(=O)/C=C\c2csc(C(F)(F)F)c2)CC1 ZINC000859355348 662155796 /nfs/dbraw/zinc/15/57/96/662155796.db2.gz KBQVJBUDMMSAMW-ZFDPJTLLSA-N 1 0 375.460 2.922 20 0 GFADRO O=Cc1cc(Br)cc(C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC000859356334 662156107 /nfs/dbraw/zinc/15/61/07/662156107.db2.gz OPNNNHHAVMHZGA-KRWDZBQOSA-N 1 0 395.297 2.635 20 0 GFADRO O[C@@H](COc1cc(Cl)ccc1Cl)C[NH+]1CCC(N2CCOCC2)CC1 ZINC000859357737 662156297 /nfs/dbraw/zinc/15/62/97/662156297.db2.gz MGKIPERUCATBDE-MRXNPFEDSA-N 1 0 389.323 2.530 20 0 GFADRO Cc1cnc(Br)c(NC(=O)N2CCC(CO[C@H]3CC[NH2+]C3)CC2)c1 ZINC000859690135 662172735 /nfs/dbraw/zinc/17/27/35/662172735.db2.gz BHSYGBYJZFLEOQ-AWEZNQCLSA-N 1 0 397.317 2.775 20 0 GFADRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)c2cc(Br)cnc2F)C1 ZINC000859805268 662175694 /nfs/dbraw/zinc/17/56/94/662175694.db2.gz MJRYNKDIOFMSPB-ZDUSSCGKSA-N 1 0 388.281 2.556 20 0 GFADRO CS[C@H]1CN(C(=O)c2cccc(N=S(C)(C)=O)c2)C[C@H]1[NH+]1CCCC1 ZINC000860787862 662215625 /nfs/dbraw/zinc/21/56/25/662215625.db2.gz OAIXGCZQLJZZAY-SJORKVTESA-N 1 0 381.567 2.698 20 0 GFADRO CO[C@@H]1C[N@H+](C)[C@](C)(COC(=O)COc2ccc(F)cc2Br)C1 ZINC000861342081 662241422 /nfs/dbraw/zinc/24/14/22/662241422.db2.gz USQHNIGQYUSMFD-LRDDRELGSA-N 1 0 390.249 2.619 20 0 GFADRO C[C@H]([NH3+])CN(C)C(=O)NCc1cc(Br)ccc1Br ZINC000861620171 662252267 /nfs/dbraw/zinc/25/22/67/662252267.db2.gz AWWRAMBLXVSNQU-QMMMGPOBSA-N 1 0 379.096 2.700 20 0 GFADRO C[C@@H](CNC(=O)C(=O)Nc1cccc(SC(F)(F)F)c1)[NH+]1CCCC1 ZINC000861680591 662254752 /nfs/dbraw/zinc/25/47/52/662254752.db2.gz FVCDBZFAZLRZCT-NSHDSACASA-N 1 0 375.416 2.838 20 0 GFADRO CCN(C(=O)/C=C/c1ccc(I)o1)C1CC[NH+](C)CC1 ZINC000861893948 662262735 /nfs/dbraw/zinc/26/27/35/662262735.db2.gz VDQBNWBZHDELQJ-FNORWQNLSA-N 1 0 388.249 2.840 20 0 GFADRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)Nc2cccc(SC(F)(F)F)c2)C1 ZINC000861902155 662263041 /nfs/dbraw/zinc/26/30/41/662263041.db2.gz ODCZBQSISRUTDG-KLPPZKSPSA-N 1 0 375.416 2.693 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)c2cc(Br)c3ncc(C=O)n3c2)C1 ZINC000862162894 662271461 /nfs/dbraw/zinc/27/14/61/662271461.db2.gz QYDNIZKMUXPNHP-GFCCVEGCSA-N 1 0 393.285 2.512 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)c2cc(Br)c3ncc(C=O)n3c2)C1 ZINC000862162895 662271485 /nfs/dbraw/zinc/27/14/85/662271485.db2.gz QYDNIZKMUXPNHP-LBPRGKRZSA-N 1 0 393.285 2.512 20 0 GFADRO CCN(CC)S(=O)(=O)c1ccc(CC[NH2+]Cc2ccnc(F)c2C)s1 ZINC000862278437 662278904 /nfs/dbraw/zinc/27/89/04/662278904.db2.gz ZQKCRLYIRDOJHS-UHFFFAOYSA-N 1 0 385.530 2.953 20 0 GFADRO CC(C)NC(=O)CNC(=S)N[C@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000863230663 662316275 /nfs/dbraw/zinc/31/62/75/662316275.db2.gz MSHHRBQEMQTLHD-CQSZACIVSA-N 1 0 391.368 2.585 20 0 GFADRO COC(=O)c1cn(C[N@@H+]2C[C@H](c3ccc(Br)cc3)C[C@@H]2C)nn1 ZINC000863323304 662320574 /nfs/dbraw/zinc/32/05/74/662320574.db2.gz KBAWMVKWFADOKG-WCQYABFASA-N 1 0 379.258 2.663 20 0 GFADRO CCN1C(=O)CN(C[N@@H+]2C[C@@H](c3ccc(Br)cc3)C[C@@H]2C)C1=O ZINC000863323674 662320646 /nfs/dbraw/zinc/32/06/46/662320646.db2.gz RGDSFZXGMJXQCZ-JSGCOSHPSA-N 1 0 380.286 2.869 20 0 GFADRO C[C@@](O)(C[NH2+][C@H]1CCN(C2CCC2)C1=O)c1ccc(Br)cc1F ZINC000863591219 662339940 /nfs/dbraw/zinc/33/99/40/662339940.db2.gz VXPGPLICOYMTDD-DOTOQJQBSA-N 1 0 385.277 2.539 20 0 GFADRO F[C@@H](c1nc(Cc2cc3c(cc2Br)OCO3)no1)[C@H]1CC[NH2+]C1 ZINC000863666775 662342872 /nfs/dbraw/zinc/34/28/72/662342872.db2.gz HLJWCUXTQAVACA-RMLUDKJBSA-N 1 0 384.205 2.772 20 0 GFADRO F[C@H](c1nc(-c2n[nH]c(-c3cccc(Br)c3)n2)no1)[C@H]1CC[NH2+]C1 ZINC000863671738 662343629 /nfs/dbraw/zinc/34/36/29/662343629.db2.gz CRLRTSOXLWRBHM-ONGXEEELSA-N 1 0 393.220 2.904 20 0 GFADRO CC[N@H+]1[C@H](C)CN(C(=O)[C@@]2(C)CC2(Br)Br)C[C@@H]1C ZINC000864083679 662354104 /nfs/dbraw/zinc/35/41/04/662354104.db2.gz IQGFTGZPVRQOAC-JFGNBEQYSA-N 1 0 382.140 2.824 20 0 GFADRO O=C(NCC[NH+]1CCCCC1)c1cc(Br)ncc1Br ZINC000864878154 662389435 /nfs/dbraw/zinc/38/94/35/662389435.db2.gz CZRJDPNFCHFEEN-UHFFFAOYSA-N 1 0 391.107 2.822 20 0 GFADRO C[C@@H](CNC(=O)c1cc(Br)ncc1Br)[NH+]1CCCC1 ZINC000865176120 662402604 /nfs/dbraw/zinc/40/26/04/662402604.db2.gz MZKJNLHRRUSZQM-VIFPVBQESA-N 1 0 391.107 2.821 20 0 GFADRO C[NH+](C)CCNC(=O)c1ccc(NCc2cccnc2Br)cc1 ZINC000865293413 662410370 /nfs/dbraw/zinc/41/03/70/662410370.db2.gz JUMRGNZDWVJZRU-UHFFFAOYSA-N 1 0 377.286 2.748 20 0 GFADRO C[C@H](Cc1cccc(Br)c1)[NH2+]Cc1cn(C[C@@H]2CCCO2)nn1 ZINC000865430913 662421181 /nfs/dbraw/zinc/42/11/81/662421181.db2.gz VABIEYIOYMNMMM-DYVFJYSZSA-N 1 0 379.302 2.940 20 0 GFADRO C[C@H](Cc1cccc(Br)c1)[NH2+]Cc1cn(C[C@H]2CCCO2)nn1 ZINC000865430912 662421267 /nfs/dbraw/zinc/42/12/67/662421267.db2.gz VABIEYIOYMNMMM-CXAGYDPISA-N 1 0 379.302 2.940 20 0 GFADRO CC(C)(C)OC(=O)N[C@H](C[NH2+][C@@H]1CCN(CC(F)(F)F)C1)CC(F)F ZINC000865438158 662421404 /nfs/dbraw/zinc/42/14/04/662421404.db2.gz NFAXRYKTQGUYER-MNOVXSKESA-N 1 0 375.382 2.761 20 0 GFADRO COCc1nc2n(n1)C[C@H]([NH2+]Cc1ccc(C)c(Br)c1C)CC2 ZINC000865492014 662424738 /nfs/dbraw/zinc/42/47/38/662424738.db2.gz SLRBXEQQEDBOIQ-CQSZACIVSA-N 1 0 379.302 2.908 20 0 GFADRO COC(=O)CS(=O)(=O)Cc1ccc(C[NH2+]Cc2csc(C)c2C)cc1 ZINC000865490898 662424957 /nfs/dbraw/zinc/42/49/57/662424957.db2.gz AIXVEJRASAZDFX-UHFFFAOYSA-N 1 0 381.519 2.743 20 0 GFADRO C[N@H+](CCCO)C1CCN(c2nc(-c3ccc(Br)cc3)no2)CC1 ZINC000865540253 662427784 /nfs/dbraw/zinc/42/77/84/662427784.db2.gz IDWTWIDKCJHEER-UHFFFAOYSA-N 1 0 395.301 2.782 20 0 GFADRO COc1ncc(Br)cc1C[NH2+][C@H]1CCO[C@@H](c2ccnn2C)C1 ZINC000865591751 662431020 /nfs/dbraw/zinc/43/10/20/662431020.db2.gz KPMCTZHGHTUKCG-DZGCQCFKSA-N 1 0 381.274 2.596 20 0 GFADRO CCCn1cc(C[NH2+]C[C@@H](CO)Cc2ccc(C)c(Br)c2)nn1 ZINC000865591683 662431031 /nfs/dbraw/zinc/43/10/31/662431031.db2.gz KJZSHXKEBQZRBU-HNNXBMFYSA-N 1 0 381.318 2.700 20 0 GFADRO COCCc1ccc(OC[C@H](O)C[NH2+]Cc2cccnc2Br)cc1 ZINC000865621255 662432376 /nfs/dbraw/zinc/43/23/76/662432376.db2.gz YVVOODXVZMCQPM-MRXNPFEDSA-N 1 0 395.297 2.563 20 0 GFADRO COc1ncc(Br)cc1C[NH2+]Cc1ccc(CNC(C)=O)cc1 ZINC000865619963 662432393 /nfs/dbraw/zinc/43/23/93/662432393.db2.gz GKXNHICNXAGDEP-UHFFFAOYSA-N 1 0 378.270 2.779 20 0 GFADRO CC(C)(C)OC(=O)N1CCc2nc(C[NH2+]CC[C@@H](O)C(F)F)sc2C1 ZINC000865687409 662436607 /nfs/dbraw/zinc/43/66/07/662436607.db2.gz CTOGCKSNOQCURM-LLVKDONJSA-N 1 0 377.457 2.542 20 0 GFADRO Brc1ccc(C[NH2+][C@@H]2[C@H]3C[C@H]4CO[C@H]2[C@H]4C3)c(N2CCOCC2)c1 ZINC000865697129 662436917 /nfs/dbraw/zinc/43/69/17/662436917.db2.gz VQDCWNHQCSTJJS-FUUSMOTLSA-N 1 0 393.325 2.799 20 0 GFADRO Brc1ccccc1-n1cc(C[NH2+][C@H]2[C@@H]3OC[C@@H]4C[C@H]2C[C@@H]43)nn1 ZINC000865696496 662437084 /nfs/dbraw/zinc/43/70/84/662437084.db2.gz RMCZOHSSJWJLRL-GPMVNZHBSA-N 1 0 375.270 2.543 20 0 GFADRO O=C(c1cc(Br)cn2ccnc12)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000866009745 662456270 /nfs/dbraw/zinc/45/62/70/662456270.db2.gz PBIRHIYLASSGAZ-CYBMUJFWSA-N 1 0 377.286 2.655 20 0 GFADRO C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)c2cc(Br)no2)C1 ZINC000866021293 662457013 /nfs/dbraw/zinc/45/70/13/662457013.db2.gz YAZNVRFLWGYCNU-CQSZACIVSA-N 1 0 378.270 2.826 20 0 GFADRO C/C(=C\c1ccc(Br)o1)C(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000866352411 662468981 /nfs/dbraw/zinc/46/89/81/662468981.db2.gz JLKXNKQSYKABEH-OUKQBFOZSA-N 1 0 384.318 2.588 20 0 GFADRO CC(C)[C@H]([NH2+]CCNC(=O)c1ccc(Br)cn1)c1ccccn1 ZINC000866387650 662469983 /nfs/dbraw/zinc/46/99/83/662469983.db2.gz WJQBZIKVLKFBHC-INIZCTEOSA-N 1 0 377.286 2.956 20 0 GFADRO Cc1ccc(Br)c(CS(=O)(=O)N2CCC([NH+](C)C)CC2)c1 ZINC000866483306 662476349 /nfs/dbraw/zinc/47/63/49/662476349.db2.gz DYQRSZDESJMOLR-UHFFFAOYSA-N 1 0 375.332 2.613 20 0 GFADRO Cn1ncc(I)c1C[NH2+]C1CCC2(CCOCC2)CC1 ZINC000866630523 662485366 /nfs/dbraw/zinc/48/53/66/662485366.db2.gz RJFBBMHQZNDFID-UHFFFAOYSA-N 1 0 389.281 2.854 20 0 GFADRO Brc1cccc(Cc2noc(CN3CCC[C@@H]4[NH2+]CC[C@@H]43)n2)c1 ZINC000866726634 662492204 /nfs/dbraw/zinc/49/22/04/662492204.db2.gz YGYCDLOYFBVQAS-GJZGRUSLSA-N 1 0 377.286 2.749 20 0 GFADRO Cc1ccc(Br)c(CS(=O)(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)c1 ZINC000866739812 662493400 /nfs/dbraw/zinc/49/34/00/662493400.db2.gz JPHZSJHADZROOW-CHWSQXEVSA-N 1 0 375.332 2.647 20 0 GFADRO Cc1ccc(Br)c(CS(=O)(=O)N2CCC3(CC[NH2+]C3)CC2)c1 ZINC000866765899 662495771 /nfs/dbraw/zinc/49/57/71/662495771.db2.gz DENUKTQBJSOODD-UHFFFAOYSA-N 1 0 387.343 2.663 20 0 GFADRO O=S(=O)(c1oc2ccccc2c1Br)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000866765712 662495847 /nfs/dbraw/zinc/49/58/47/662495847.db2.gz AFUVBZVQAOWEOA-CMPLNLGQSA-N 1 0 385.283 2.568 20 0 GFADRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2cc(Cl)cnc2Cl)CC[C@H]1C(F)(F)F ZINC000866778567 662497628 /nfs/dbraw/zinc/49/76/28/662497628.db2.gz ACHAIBJPCGPRGZ-VXNVDRBHSA-N 1 0 392.230 2.536 20 0 GFADRO CCOc1ccc(Br)cc1S(=O)(=O)N[C@H](C)C1CC[NH2+]CC1 ZINC000866812098 662500977 /nfs/dbraw/zinc/50/09/77/662500977.db2.gz AUOKOZDULWSLEL-LLVKDONJSA-N 1 0 391.331 2.514 20 0 GFADRO COCCC1(NS(=O)(=O)Cc2ccc(Cl)c(Cl)c2)CC[NH2+]CC1 ZINC000866819970 662501762 /nfs/dbraw/zinc/50/17/62/662501762.db2.gz BDVRHRADXAFGAN-UHFFFAOYSA-N 1 0 381.325 2.572 20 0 GFADRO O=S(=O)(c1oc2ccccc2c1Br)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000866821836 662502079 /nfs/dbraw/zinc/50/20/79/662502079.db2.gz AXLPRQAHMUEZNN-VXGBXAGGSA-N 1 0 385.283 2.710 20 0 GFADRO O=S(=O)(c1cccc(Cl)c1Br)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000866825123 662502204 /nfs/dbraw/zinc/50/22/04/662502204.db2.gz PNVGOSAZAVRILP-QWRGUYRKSA-N 1 0 379.707 2.618 20 0 GFADRO C/C(=C/c1ccc(Br)o1)C(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000867012774 662516613 /nfs/dbraw/zinc/51/66/13/662516613.db2.gz PJDSXECPEJYNDJ-SEYXRHQNSA-N 1 0 385.302 2.751 20 0 GFADRO Cc1cc(Br)sc1S(=O)(=O)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000867810856 662578655 /nfs/dbraw/zinc/57/86/55/662578655.db2.gz KCVVVNAQYGKRHX-QWRGUYRKSA-N 1 0 379.345 2.534 20 0 GFADRO C[N@@H+]1CC[C@H]2CN(S(=O)(=O)c3oc4ccccc4c3Br)CC[C@H]21 ZINC000867811058 662578861 /nfs/dbraw/zinc/57/88/61/662578861.db2.gz NBADHVNCCRSPDK-WCQYABFASA-N 1 0 399.310 2.910 20 0 GFADRO Cc1sc(Br)cc1S(=O)(=O)N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000867811334 662578957 /nfs/dbraw/zinc/57/89/57/662578957.db2.gz BGGRGVWLODPVIC-MNOVXSKESA-N 1 0 379.345 2.534 20 0 GFADRO COc1ccc(S(=O)(=O)N2CC[C@H]3[C@H](CC[N@@H+]3C)C2)c(Cl)c1Cl ZINC000867813252 662579417 /nfs/dbraw/zinc/57/94/17/662579417.db2.gz SZESYOCUIKERTD-MNOVXSKESA-N 1 0 379.309 2.717 20 0 GFADRO CC(=O)N[C@@H](C(=O)N1CCC[C@H]([NH+](C)C)CC1)c1cccc(Br)c1 ZINC000867812937 662579543 /nfs/dbraw/zinc/57/95/43/662579543.db2.gz OHBVRDVGQHOJQY-DLBZAZTESA-N 1 0 396.329 2.569 20 0 GFADRO CC(C)n1ncc(C(=O)N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)c1Br ZINC000867878817 662584748 /nfs/dbraw/zinc/58/47/48/662584748.db2.gz PYCWUNOCDTWCDB-ZDUSSCGKSA-N 1 0 399.333 2.552 20 0 GFADRO O=C(NC[C@@H]1CCCC[NH2+]1)c1c(F)ccc(I)c1Cl ZINC000867962711 662589572 /nfs/dbraw/zinc/58/95/72/662589572.db2.gz AHACWOJLNJLMAI-QMMMGPOBSA-N 1 0 396.631 2.956 20 0 GFADRO O=C(NC[C@H]1CCC[NH2+]1)c1c(F)ccc(I)c1Cl ZINC000867964500 662589824 /nfs/dbraw/zinc/58/98/24/662589824.db2.gz ZYCHEAJYKPNMMD-SSDOTTSWSA-N 1 0 382.604 2.566 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)c2c(F)ccc(I)c2Cl)C1 ZINC000867968938 662589952 /nfs/dbraw/zinc/58/99/52/662589952.db2.gz IFTNCIQQYKVXRF-JGVFFNPUSA-N 1 0 396.631 2.893 20 0 GFADRO CC(C)(C)C(=O)N1CCC(NC(=O)[C@H]([NH3+])c2cccc(Br)c2)CC1 ZINC000867984426 662590729 /nfs/dbraw/zinc/59/07/29/662590729.db2.gz WMFHFZPLZCLGBT-OAHLLOKOSA-N 1 0 396.329 2.602 20 0 GFADRO COC(=O)c1cc(NC(=O)N2CCC[C@@H]3[NH2+]CC[C@@H]32)ccc1Br ZINC000868143489 662596049 /nfs/dbraw/zinc/59/60/49/662596049.db2.gz SNYZKIUXXFFOLC-KBPBESRZSA-N 1 0 382.258 2.594 20 0 GFADRO COC(=O)c1c(Br)ccc(NC(=O)N2CCC[C@@H]3[NH2+]CC[C@@H]32)c1C ZINC000868153274 662596638 /nfs/dbraw/zinc/59/66/38/662596638.db2.gz ZCMPPDJFEVZXTB-KBPBESRZSA-N 1 0 396.285 2.902 20 0 GFADRO COc1ccc(Br)cc1CNC(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000868177998 662597825 /nfs/dbraw/zinc/59/78/25/662597825.db2.gz UPVVMYAZNZNFLR-IUODEOHRSA-N 1 0 382.302 2.693 20 0 GFADRO COc1ccc(Br)cc1CNC(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000868178000 662597846 /nfs/dbraw/zinc/59/78/46/662597846.db2.gz UPVVMYAZNZNFLR-WFASDCNBSA-N 1 0 382.302 2.693 20 0 GFADRO O=C(Cc1coc2c1ccc(Cl)c2Cl)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000868343078 662602362 /nfs/dbraw/zinc/60/23/62/662602362.db2.gz GCZPMGCOPYJTLV-OLZOCXBDSA-N 1 0 383.275 2.950 20 0 GFADRO O=C(NCc1ncc(Br)s1)NCC1CC[NH+](CC2CC2)CC1 ZINC000868792068 662619485 /nfs/dbraw/zinc/61/94/85/662619485.db2.gz YMODSMUUQPXJGC-UHFFFAOYSA-N 1 0 387.347 2.827 20 0 GFADRO CC(C)n1ncc(C(=O)N2CCC([N@@H+]3CCCOCC3)CC2)c1Br ZINC000868860915 662622046 /nfs/dbraw/zinc/62/20/46/662622046.db2.gz BFJGNRVVEBXEBA-UHFFFAOYSA-N 1 0 399.333 2.553 20 0 GFADRO C[NH+]1CCC([C@@H]2CCN(C(=O)NCc3ccc(Br)cn3)C2)CC1 ZINC000869118707 662630092 /nfs/dbraw/zinc/63/00/92/662630092.db2.gz LBLMCRWPHADJTC-CQSZACIVSA-N 1 0 381.318 2.717 20 0 GFADRO O=C(NCc1ncc(Br)s1)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000869196558 662634813 /nfs/dbraw/zinc/63/48/13/662634813.db2.gz MXJMNZRPNIMHCI-GFCCVEGCSA-N 1 0 387.347 2.827 20 0 GFADRO C[NH+](C)CCC[C@H]1CN(C(=O)c2nc(Br)sc2Cl)CCO1 ZINC000869313199 662641254 /nfs/dbraw/zinc/64/12/54/662641254.db2.gz FAYGUIFKNBWEMT-VIFPVBQESA-N 1 0 396.738 2.742 20 0 GFADRO CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)c2cc(Br)cc3cccnc32)C1 ZINC000869778730 662661353 /nfs/dbraw/zinc/66/13/53/662661353.db2.gz HMDXJKJSORHTKR-AWEZNQCLSA-N 1 0 392.297 2.572 20 0 GFADRO C[C@@H](C(=O)N[C@H]1CC[N@H+](CC(C)(C)O)C1)c1ccc(Br)s1 ZINC000869780739 662661604 /nfs/dbraw/zinc/66/16/04/662661604.db2.gz QQRUORJWXUDKGT-MNOVXSKESA-N 1 0 375.332 2.576 20 0 GFADRO C[C@H](Cc1ccc(Br)cc1)C(=O)N[C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC000869779514 662661723 /nfs/dbraw/zinc/66/17/23/662661723.db2.gz WQSPHDIDETWAFR-CJNGLKHVSA-N 1 0 383.330 2.589 20 0 GFADRO Cn1ncc(C(=O)NCC2(c3ccccc3)CC[NH+](C)CC2)c1Br ZINC000870190079 662677746 /nfs/dbraw/zinc/67/77/46/662677746.db2.gz XZPNCEMPTQPNOP-UHFFFAOYSA-N 1 0 391.313 2.576 20 0 GFADRO CO[C@@H]1C[N@H+](C)[C@](C)(COC(=O)c2ccc3cncc(Br)c3n2)C1 ZINC000870487492 662691927 /nfs/dbraw/zinc/69/19/27/662691927.db2.gz PFBFMHGEFSYIIX-SJCJKPOMSA-N 1 0 394.269 2.658 20 0 GFADRO CCN1CCc2nc(NC(=O)[C@@H]([NH3+])c3cccc(Br)c3)sc2C1 ZINC000870861327 662703733 /nfs/dbraw/zinc/70/37/33/662703733.db2.gz QIXRBDRYWPCISA-AWEZNQCLSA-N 1 0 395.326 2.922 20 0 GFADRO COC(=O)C[C@H](NC(=O)[C@H]1CC[C@@H]([NH3+])CC1)c1ccc(Br)cc1 ZINC000870862541 662703794 /nfs/dbraw/zinc/70/37/94/662703794.db2.gz UJCRJMCHFSEDFE-CFVMTHIKSA-N 1 0 383.286 2.687 20 0 GFADRO O=C(CC[NH2+]CC1CC1)NC[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000870873458 662704194 /nfs/dbraw/zinc/70/41/94/662704194.db2.gz KXIDUDPAGQXORT-HNNXBMFYSA-N 1 0 380.330 2.781 20 0 GFADRO O=C(NCCc1nc2c(s1)CCCC2)c1csc(C2CC[NH2+]CC2)n1 ZINC000870877869 662704375 /nfs/dbraw/zinc/70/43/75/662704375.db2.gz RGDCCQHBQGBUCB-UHFFFAOYSA-N 1 0 376.551 2.918 20 0 GFADRO CC(C)[N@H+](C)CC(=O)Nc1ccc(N2CC[C@H](CO)C2)c(Br)c1 ZINC000870890242 662706584 /nfs/dbraw/zinc/70/65/84/662706584.db2.gz KSUBXOBNUGDXDT-ZDUSSCGKSA-N 1 0 384.318 2.546 20 0 GFADRO O=C(N[C@@H](C[C@H]1CCCO1)C(F)(F)F)c1csc(C2CC[NH2+]CC2)n1 ZINC000870950770 662711254 /nfs/dbraw/zinc/71/12/54/662711254.db2.gz LTMLVFORYGLDCA-YPMHNXCESA-N 1 0 377.432 2.840 20 0 GFADRO O=C(c1cc(Br)cn2ccnc12)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000870951913 662711285 /nfs/dbraw/zinc/71/12/85/662711285.db2.gz XSVSLFTXDDJWQV-CQSZACIVSA-N 1 0 391.313 2.949 20 0 GFADRO Cc1nn(-c2ccc(C(=O)NC[C@H]3C[C@H]([NH3+])C3)cc2)c(C)c1Br ZINC000870969725 662711604 /nfs/dbraw/zinc/71/16/04/662711604.db2.gz KGTVPOMMGLJAOY-MQMHXKEQSA-N 1 0 377.286 2.719 20 0 GFADRO CCc1c(C(=O)NC[C@H]2C[C@@H]([NH3+])C2)cnn1-c1ccc(Br)cc1 ZINC000870968442 662711629 /nfs/dbraw/zinc/71/16/29/662711629.db2.gz UOUYYWMRJWZLAS-BJHJDKERSA-N 1 0 377.286 2.664 20 0 GFADRO C[C@H](NC(=O)[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)C1CC[NH2+]CC1 ZINC000870987476 662712430 /nfs/dbraw/zinc/71/24/30/662712430.db2.gz IZCRSDMFWTYNKE-FZMZJTMJSA-N 1 0 384.307 2.851 20 0 GFADRO Cc1nn(C)c(Br)c1C(=O)N[C@H]1CC[N@H+](Cc2ccc(C)cc2)C1 ZINC000871188361 662717259 /nfs/dbraw/zinc/71/72/59/662717259.db2.gz OPSLHTWQUNWZIJ-HNNXBMFYSA-N 1 0 391.313 2.804 20 0 GFADRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2ccc(F)c(C(F)F)c2)CC[C@H]1C(F)(F)F ZINC000871805806 662734635 /nfs/dbraw/zinc/73/46/35/662734635.db2.gz QFCPBRDWPZFDLX-LDYMZIIASA-N 1 0 390.349 2.911 20 0 GFADRO CSc1ccc(S(=O)(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)cc1Cl ZINC000871815038 662735744 /nfs/dbraw/zinc/73/57/44/662735744.db2.gz ZDXVXOCVZPHPGL-SCZZXKLOSA-N 1 0 388.864 2.820 20 0 GFADRO CC(C)(C)[S@](C)(=O)=NS(=O)(=O)N1CCC[C@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000871822861 662736074 /nfs/dbraw/zinc/73/60/74/662736074.db2.gz ODPUNCIRKMLNQJ-OZYPNJIESA-N 1 0 393.619 2.747 20 0 GFADRO NC(=O)[C@H](Cc1ccc(F)cc1)[NH2+][C@@H]1[C@@H]2Cc3ccc(Br)cc3[C@@H]21 ZINC000871924038 662742499 /nfs/dbraw/zinc/74/24/99/662742499.db2.gz BGQWDECMBPQRPH-VSZNYVQBSA-N 1 0 389.268 2.913 20 0 GFADRO O=C(C[NH2+][C@H](c1cccc(Br)c1)[C@@H]1CCOC1)NCC(F)(F)F ZINC000872027163 662754143 /nfs/dbraw/zinc/75/41/43/662754143.db2.gz IEHGWMDEEZTIIF-BXUZGUMPSA-N 1 0 395.219 2.795 20 0 GFADRO CCS(=O)(=O)CC[NH2+][C@H](c1cccc(Br)c1)[C@H]1CCOC1 ZINC000872030753 662754151 /nfs/dbraw/zinc/75/41/51/662754151.db2.gz BWJGHITWUQJRNM-DZGCQCFKSA-N 1 0 376.316 2.551 20 0 GFADRO OC1CCN(CC[NH2+][C@@H](c2cccc(Br)c2)[C@@H]2CCOC2)CC1 ZINC000872077208 662755409 /nfs/dbraw/zinc/75/54/09/662755409.db2.gz COEBGIDZJCPJKV-QAPCUYQASA-N 1 0 383.330 2.573 20 0 GFADRO CC(C)(C)[C@@H]1C[C@@H]([NH2+]CCNC(=O)c2ccc(Br)cn2)CCO1 ZINC000872083988 662755554 /nfs/dbraw/zinc/75/55/54/662755554.db2.gz GDOTWPZETNDOKH-ZFWWWQNUSA-N 1 0 384.318 2.757 20 0 GFADRO CC(C)(O)CN1CC[C@H]([NH2+][C@@H](c2cccc(Br)c2)[C@H]2CCOC2)C1 ZINC000872090581 662755733 /nfs/dbraw/zinc/75/57/33/662755733.db2.gz CBQYDTGPQKFIHR-SZMVWBNQSA-N 1 0 397.357 2.962 20 0 GFADRO COc1cc([C@H](C)[NH2+]CCOC(F)(F)C(F)(F)F)ccc1S(C)(=O)=O ZINC000872110079 662756110 /nfs/dbraw/zinc/75/61/10/662756110.db2.gz CEKBVJNTRYGDCQ-VIFPVBQESA-N 1 0 391.358 2.921 20 0 GFADRO CC[C@@H]([NH2+]CCC[C@H]1CCOC1=O)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000872114394 662756254 /nfs/dbraw/zinc/75/62/54/662756254.db2.gz WAAIOWGYZFKYTO-SWLSCSKDSA-N 1 0 388.917 2.632 20 0 GFADRO COC(=O)[C@H](c1ccccc1Br)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000872148855 662756595 /nfs/dbraw/zinc/75/65/95/662756595.db2.gz IHQVYXJGNKWFMC-GAFUQQFSSA-N 1 0 395.219 2.732 20 0 GFADRO O[C@H](C[NH2+]C[C@@H]1CCC12CCOCC2)COc1ccc(Br)cc1 ZINC000872228633 662758212 /nfs/dbraw/zinc/75/82/12/662758212.db2.gz IARNWXBDFXWCTM-GOEBONIOSA-N 1 0 384.314 2.985 20 0 GFADRO O[C@@H](C[NH2+][C@@H]1C[C@H]1C1CCOCC1)COc1cc(F)cc(Br)c1 ZINC000872240833 662758923 /nfs/dbraw/zinc/75/89/23/662758923.db2.gz UVCKGIXZPDSZHQ-BHYGNILZSA-N 1 0 388.277 2.733 20 0 GFADRO O=S(=O)(CC[NH2+]C[C@@H]1C[C@@H]2CCC[C@H]2O1)c1cccc(Br)c1 ZINC000872248390 662759232 /nfs/dbraw/zinc/75/92/32/662759232.db2.gz RYSAJRFFXHUIIK-DUVNUKRYSA-N 1 0 388.327 2.770 20 0 GFADRO CN(Cc1ccc(C[NH+](C)C)cc1)S(=O)(=O)c1cccc(Br)n1 ZINC000872443747 662767114 /nfs/dbraw/zinc/76/71/14/662767114.db2.gz AGOQMFYGKQYGRE-UHFFFAOYSA-N 1 0 398.326 2.726 20 0 GFADRO CC(C)(C)[S@@](C)(=O)=NS(=O)(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000872457613 662768976 /nfs/dbraw/zinc/76/89/76/662768976.db2.gz BAQJNDXGYYZSMJ-CKBDLISKSA-N 1 0 379.592 2.514 20 0 GFADRO CC(C)(C)[S@](C)(=O)=NS(=O)(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000872465910 662769782 /nfs/dbraw/zinc/76/97/82/662769782.db2.gz FOQQVKLJGHPFQU-DEOSSOPVSA-N 1 0 393.619 2.716 20 0 GFADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)NCc1ccc(C(F)(F)F)s1 ZINC000872972989 662794758 /nfs/dbraw/zinc/79/47/58/662794758.db2.gz JNJGWZNCBITXFX-LBPRGKRZSA-N 1 0 378.464 2.592 20 0 GFADRO Fc1cccc(C[NH2+][C@H]2CCO[C@]3(CCOC3)C2)c1I ZINC000873100290 662799578 /nfs/dbraw/zinc/79/95/78/662799578.db2.gz NURDHOVWRUNFBP-SWLSCSKDSA-N 1 0 391.224 2.858 20 0 GFADRO CSc1cc(Cl)ccc1NC(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000873106198 662800019 /nfs/dbraw/zinc/80/00/19/662800019.db2.gz GGAQHCCQNJCFNE-PSASIEDQSA-N 1 0 395.834 2.596 20 0 GFADRO CSc1ccc(NC(=O)C(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)cc1Cl ZINC000873104742 662800034 /nfs/dbraw/zinc/80/00/34/662800034.db2.gz PKBUQWWHHDOZOS-SCZZXKLOSA-N 1 0 395.834 2.596 20 0 GFADRO CN(CCCCCC[NH3+])C(=O)C(=O)Nc1ccc(Cl)cc1OC(F)F ZINC000873110420 662800174 /nfs/dbraw/zinc/80/01/74/662800174.db2.gz SIVAVSMSROVRJF-UHFFFAOYSA-N 1 0 377.819 2.857 20 0 GFADRO COc1ccc(OC(F)F)c(C[NH2+]CC2C[C@H]3CC[C@@H](C2)S3(=O)=O)c1 ZINC000873171752 662802749 /nfs/dbraw/zinc/80/27/49/662802749.db2.gz XCSIOAGLHUWETP-PHTAMDTFSA-N 1 0 375.437 2.742 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(C(=O)NCc3cc(C(F)(F)F)cc(Cl)n3)CC[C@H]21 ZINC000873183269 662803373 /nfs/dbraw/zinc/80/33/73/662803373.db2.gz BCHXLTCIKQFLQM-ZWNOBZJWSA-N 1 0 376.810 2.989 20 0 GFADRO C[N@@H+]1CC[C@H]2CN(C(=O)NCc3cc(C(F)(F)F)cc(Cl)n3)CC[C@H]21 ZINC000873183267 662803381 /nfs/dbraw/zinc/80/33/81/662803381.db2.gz BCHXLTCIKQFLQM-GXFFZTMASA-N 1 0 376.810 2.989 20 0 GFADRO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2ccncc2Br)cc1OC ZINC000873193068 662803754 /nfs/dbraw/zinc/80/37/54/662803754.db2.gz NAUYTWASAHSDDL-SFHVURJKSA-N 1 0 395.297 2.945 20 0 GFADRO Cc1ccc([C@@H](NCc2cc3c(s2)CC[NH2+]C3)[C@@H](C)S(C)(=O)=O)cc1 ZINC000873210862 662803915 /nfs/dbraw/zinc/80/39/15/662803915.db2.gz QUDMQFUMTIEWKU-KUHUBIRLSA-N 1 0 378.563 2.966 20 0 GFADRO COc1cc(NC(=O)N2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)c(OC)cc1Cl ZINC000873300387 662805012 /nfs/dbraw/zinc/80/50/12/662805012.db2.gz VDYORCPLVAINRD-DTWKUNHWSA-N 1 0 381.782 2.958 20 0 GFADRO Cc1ncc(Br)cc1NC(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000873326560 662805563 /nfs/dbraw/zinc/80/55/63/662805563.db2.gz BVMZKLQKFPRWGW-PSASIEDQSA-N 1 0 381.196 2.753 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)N[C@@H](c2nccs2)C(F)(F)F)C[C@H]1C(F)(F)F ZINC000873327291 662805567 /nfs/dbraw/zinc/80/55/67/662805567.db2.gz HLZLMDHRSORGHZ-PRJMDXOYSA-N 1 0 376.326 2.525 20 0 GFADRO CCc1ccc(Br)c(NC(=O)C(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)c1 ZINC000873839855 662815866 /nfs/dbraw/zinc/81/58/66/662815866.db2.gz QBGLGHOSLBFRIX-LBPRGKRZSA-N 1 0 394.313 2.717 20 0 GFADRO C[N@@H+]1CCC[C@H]2[C@H]1CCN2C(=O)c1ccc(I)cc1F ZINC000874825383 662837430 /nfs/dbraw/zinc/83/74/30/662837430.db2.gz JBQDYUMCFPQGPU-KGLIPLIRSA-N 1 0 388.224 2.739 20 0 GFADRO C[NH+](C)CCN1CCC(NC(=O)NCc2ccc(C(F)(F)F)s2)CC1 ZINC000875056249 662841336 /nfs/dbraw/zinc/84/13/36/662841336.db2.gz LYFVOAFBPJQAMU-UHFFFAOYSA-N 1 0 378.464 2.592 20 0 GFADRO Cc1cc(Br)ncc1NC(=O)c1ccnc(OCC[NH+](C)C)c1 ZINC000875389371 662845395 /nfs/dbraw/zinc/84/53/95/662845395.db2.gz WBXVJMLCRLBXGB-UHFFFAOYSA-N 1 0 379.258 2.740 20 0 GFADRO C[C@H](CCNC(=O)NCc1ncc(Br)s1)[NH+]1CCCCC1 ZINC000875484915 662846663 /nfs/dbraw/zinc/84/66/63/662846663.db2.gz NGIZXMKAWONQSO-LLVKDONJSA-N 1 0 375.336 2.969 20 0 GFADRO CCOC(=O)Cc1csc(N(CC[NH+](C)C)C(=O)c2ccc(C)s2)n1 ZINC000876317407 662859632 /nfs/dbraw/zinc/85/96/32/662859632.db2.gz XNCUZLVQAZHVDH-UHFFFAOYSA-N 1 0 381.523 2.827 20 0 GFADRO CCOC(=O)Cc1csc(N(CC[NH+](C)C)C(=O)c2ccc(F)s2)n1 ZINC000876316273 662859661 /nfs/dbraw/zinc/85/96/61/662859661.db2.gz FJYLZFRCEWQSNB-UHFFFAOYSA-N 1 0 385.486 2.658 20 0 GFADRO O=C(Nc1cc(Cl)cc(Cl)c1)[C@@H]1CCCN1C(=O)[C@@H](F)[C@@H]1CC[NH2+]C1 ZINC000876602518 662863302 /nfs/dbraw/zinc/86/33/02/662863302.db2.gz QZJZVDFUTSJJBW-ONERCXAPSA-N 1 0 388.270 2.871 20 0 GFADRO O=C(NCc1cc(Br)ccc1OC(F)F)[C@H](F)[C@H]1CC[NH2+]C1 ZINC000876636027 662863884 /nfs/dbraw/zinc/86/38/84/662863884.db2.gz AVGRRGVNBJRDIP-QPUJVOFHSA-N 1 0 381.192 2.614 20 0 GFADRO O=C(/C=C/[C@@H]1CCC[NH2+]C1)NCCc1ccc(I)s1 ZINC000876646884 662864179 /nfs/dbraw/zinc/86/41/79/662864179.db2.gz YYGCCICWZPPPKH-GQOHGMTASA-N 1 0 390.290 2.567 20 0 GFADRO O=C([C@H](F)[C@H]1CC[NH2+]C1)N1CCO[C@H](c2cc(F)c(Cl)cc2Cl)C1 ZINC000876649371 662864259 /nfs/dbraw/zinc/86/42/59/662864259.db2.gz UFZVBTQYBCURCA-ULKVUYOBSA-N 1 0 379.234 2.980 20 0 GFADRO Cn1ncc(C[NH3+])c1C(=O)NCC(C)(C)Sc1ccc(Br)cc1 ZINC000876686062 662864767 /nfs/dbraw/zinc/86/47/67/662864767.db2.gz NZGGXRYGYDSQKP-UHFFFAOYSA-N 1 0 397.342 2.942 20 0 GFADRO O=C(Nc1nccn1Cc1ccc(Br)cc1)[C@H](F)[C@H]1CC[NH2+]C1 ZINC000876705355 662864977 /nfs/dbraw/zinc/86/49/77/662864977.db2.gz YQVWNNOAUATBSJ-GXTWGEPZSA-N 1 0 381.249 2.580 20 0 GFADRO O=C(/C=C\[C@H]1CCC[NH2+]C1)N1CCN(Cc2ccc(Br)s2)CC1 ZINC000876710754 662865212 /nfs/dbraw/zinc/86/52/12/662865212.db2.gz MPNYQUASLONROB-JHAQOBCDSA-N 1 0 398.370 2.711 20 0 GFADRO C[C@H]([C@@H](C)S(C)(=O)=O)[N@H+](C)C[C@@H]1CCCCN(C(=O)OC(C)(C)C)C1 ZINC000876738684 662865766 /nfs/dbraw/zinc/86/57/66/662865766.db2.gz JWFVUGANOCTAGC-OAGGEKHMSA-N 1 0 376.563 2.777 20 0 GFADRO O=C(NCc1cc(Br)ccc1Br)[C@@H](F)[C@@H]1CC[NH2+]C1 ZINC000876880760 662867615 /nfs/dbraw/zinc/86/76/15/662867615.db2.gz ZLRIQRPUPGWDMH-PELKAZGASA-N 1 0 394.082 2.775 20 0 GFADRO COc1ccc([C@H](C[NH2+]C[C@H]2CC2(Cl)Cl)N2CCOCC2)cc1OC ZINC000876898083 662867869 /nfs/dbraw/zinc/86/78/69/662867869.db2.gz ZHGOTEYKSWDYCJ-CABCVRRESA-N 1 0 389.323 2.861 20 0 GFADRO CCO[P@@](C)(=O)CC[C@H](C)[NH2+]Cc1ccc(CS(=O)(=O)NC)cc1 ZINC000876960315 662868757 /nfs/dbraw/zinc/86/87/57/662868757.db2.gz CNCUJNMCJZEBRJ-LFVRLGFBSA-N 1 0 376.459 2.548 20 0 GFADRO CSC(C)(C)CC[NH2+]Cc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 ZINC000876982777 662869204 /nfs/dbraw/zinc/86/92/04/662869204.db2.gz GPQFXHBGZYOXKP-INIZCTEOSA-N 1 0 386.583 2.765 20 0 GFADRO COc1cc(Br)ccc1[C@H]1CCCN1C(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000877012442 662869561 /nfs/dbraw/zinc/86/95/61/662869561.db2.gz URWDGMCZCZQSBB-SCRDCRAPSA-N 1 0 389.240 2.961 20 0 GFADRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]Cc2cnn3cc(Br)cnc23)C1 ZINC000877009129 662869593 /nfs/dbraw/zinc/86/95/93/662869593.db2.gz HZAYMJAYJRHDGQ-CYBMUJFWSA-N 1 0 396.289 2.591 20 0 GFADRO Cn1nc(C2CCOCC2)cc1NC(=O)[C@@H]([NH3+])c1cccc(Br)c1 ZINC000877036721 662869978 /nfs/dbraw/zinc/86/99/78/662869978.db2.gz TXRQOORFURZDLV-INIZCTEOSA-N 1 0 393.285 2.715 20 0 GFADRO CN(CCOCC[NH3+])C(=O)C1(c2cc(Cl)cc(Br)c2)CC1 ZINC000877055041 662870362 /nfs/dbraw/zinc/87/03/62/662870362.db2.gz NWJRVFLUFMBMCI-UHFFFAOYSA-N 1 0 375.694 2.568 20 0 GFADRO COC(=O)c1ccc(C[NH2+]CCCNC(=O)C2CCC2)cc1Br ZINC000877081670 662870741 /nfs/dbraw/zinc/87/07/41/662870741.db2.gz FYCSWPTUAKSNCF-UHFFFAOYSA-N 1 0 383.286 2.632 20 0 GFADRO CCO[P@@](C)(=O)CC[C@@H](C)[NH2+]CCNS(=O)(=O)c1ccc(C)s1 ZINC000877116680 662871329 /nfs/dbraw/zinc/87/13/29/662871329.db2.gz STIHTJZUWYTQHF-XUSGNXJCSA-N 1 0 382.488 2.647 20 0 GFADRO O=C([C@@H](F)[C@@H]1CC[NH2+]C1)N1CC2(CCOCC2)c2ccc(Br)cc21 ZINC000877139736 662871708 /nfs/dbraw/zinc/87/17/08/662871708.db2.gz YEEGLOZTESACFX-WBMJQRKESA-N 1 0 397.288 2.792 20 0 GFADRO O=C(NCC[NH+]1CCCC1)c1ccc(CNCc2nc(Cl)cs2)cc1 ZINC000877152360 662871766 /nfs/dbraw/zinc/87/17/66/662871766.db2.gz MABZQHKAAYVKED-UHFFFAOYSA-N 1 0 378.929 2.912 20 0 GFADRO CC(C)n1ncc(C(=O)NCC[C@H]([NH3+])Cc2ccccc2)c1Br ZINC000877160060 662871817 /nfs/dbraw/zinc/87/18/17/662871817.db2.gz QUGRUAPJVKEYRC-AWEZNQCLSA-N 1 0 379.302 2.916 20 0 GFADRO COc1cc(Br)ccc1NC(=O)c1cn([C@@H]2CCC[NH2+]CC2)nn1 ZINC000877204936 662872253 /nfs/dbraw/zinc/87/22/53/662872253.db2.gz SONMKFVGGHRQIY-GFCCVEGCSA-N 1 0 394.273 2.616 20 0 GFADRO COc1cc(Br)ccc1NC(=O)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC000877204937 662872287 /nfs/dbraw/zinc/87/22/87/662872287.db2.gz SONMKFVGGHRQIY-LBPRGKRZSA-N 1 0 394.273 2.616 20 0 GFADRO O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc2cncc(Br)c2n1 ZINC000877246469 662872495 /nfs/dbraw/zinc/87/24/95/662872495.db2.gz WHBIACUTSMUBRX-LMKPVCQUSA-N 1 0 375.270 2.653 20 0 GFADRO C[NH2+]CCc1ccccc1C(=O)N[C@@H]1COc2cccc(Br)c2C1 ZINC000877259363 662872622 /nfs/dbraw/zinc/87/26/22/662872622.db2.gz GFRMYELSGVTKNB-AWEZNQCLSA-N 1 0 389.293 2.945 20 0 GFADRO O=C(CCC[S@](=O)c1ccc(Br)cc1)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000877278147 662872954 /nfs/dbraw/zinc/87/29/54/662872954.db2.gz MBIGKBNROCYPGO-LNPFQXMTSA-N 1 0 399.354 2.690 20 0 GFADRO O=C(CNC(=O)c1sc2ccccc2c1Cl)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000877277366 662873003 /nfs/dbraw/zinc/87/30/03/662873003.db2.gz MBPUUCCAEHCPQU-CHWSQXEVSA-N 1 0 377.897 2.637 20 0 GFADRO CCO[C@@H]1C[C@@]([NH3+])(C(=O)NCc2cc(C(F)(F)F)cc(Cl)n2)C1(C)C ZINC000877313285 662873380 /nfs/dbraw/zinc/87/33/80/662873380.db2.gz QBFZIXWDISXPBS-IAQYHMDHSA-N 1 0 379.810 2.903 20 0 GFADRO O=C(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)c1c(Cl)cccc1Br ZINC000877328137 662873640 /nfs/dbraw/zinc/87/36/40/662873640.db2.gz HLBFRGHBWXVOJW-NSHDSACASA-N 1 0 387.705 2.991 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)c2c(Cl)nc3cc(Cl)ccn32)C[C@H]1C(F)(F)F ZINC000877357357 662874305 /nfs/dbraw/zinc/87/43/05/662874305.db2.gz SALNEYMMMAHLTN-IONNQARKSA-N 1 0 381.185 2.850 20 0 GFADRO Cc1csc(C(=O)N[C@]23CCC[C@@H]2[NH2+]CC3)c1I ZINC000877389932 662875263 /nfs/dbraw/zinc/87/52/63/662875263.db2.gz PUYJSPLTPDADLU-ZANVPECISA-N 1 0 376.263 2.676 20 0 GFADRO O=C(N[C@]12CCC[C@H]1[NH2+]CC2)c1[nH]nc(-c2ccccc2)c1Br ZINC000877394219 662875360 /nfs/dbraw/zinc/87/53/60/662875360.db2.gz UCMYNKJOEJADDF-PXAZEXFGSA-N 1 0 375.270 2.854 20 0 GFADRO Cc1c(C(=O)N[C@@]23CCC[C@@H]2[NH2+]CC3)cnn1-c1ccc(Br)cc1 ZINC000877397873 662875547 /nfs/dbraw/zinc/87/55/47/662875547.db2.gz MFBIVMFJPCVEET-FUHWJXTLSA-N 1 0 389.297 2.958 20 0 GFADRO Cc1c(C(=O)N(C)CCCCCC[NH3+])nnn1-c1cccc(Br)c1 ZINC000877440745 662876020 /nfs/dbraw/zinc/87/60/20/662876020.db2.gz JYCOTJHXTSSHKK-UHFFFAOYSA-N 1 0 394.317 2.929 20 0 GFADRO CCOP(=O)(CCC[N@@H+]1CCN2C(=O)N(CC(C)C)C[C@H]2C1)OCC ZINC000877482545 662876930 /nfs/dbraw/zinc/87/69/30/662876930.db2.gz BXQUDFHORXQHMV-MRXNPFEDSA-N 1 0 375.450 2.720 20 0 GFADRO Cc1ccc(Br)c(F)c1C[N@@H+]1CCC[C@@H]1C[C@@]1(C)NC(=O)NC1=O ZINC000877517550 662877741 /nfs/dbraw/zinc/87/77/41/662877741.db2.gz NQEXOHPDMNPYBE-PIGZYNQJSA-N 1 0 398.276 2.849 20 0 GFADRO CC[N@@H+]1CC[C@H]2OCCN(Cc3ccc(C(=O)OC)c(Br)c3)[C@H]2C1 ZINC000877550014 662878637 /nfs/dbraw/zinc/87/86/37/662878637.db2.gz CYYBGSDDYNFSKV-DLBZAZTESA-N 1 0 397.313 2.531 20 0 GFADRO COC[C@@H]([NH2+]Cc1ccc(C(=O)OC)c(Br)c1)C1CCOCC1 ZINC000877622325 662880211 /nfs/dbraw/zinc/88/02/11/662880211.db2.gz KYHWVNNBENCVGN-MRXNPFEDSA-N 1 0 386.286 2.767 20 0 GFADRO Cn1ncc(Br)c1C[NH2+]C[C@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC000877674474 662881462 /nfs/dbraw/zinc/88/14/62/662881462.db2.gz LFTJYHGRAQLWJN-INIZCTEOSA-N 1 0 387.322 2.919 20 0 GFADRO C[NH+]1CCC(NC(=O)CN2CCc3sccc3[C@@H]2c2cccs2)CC1 ZINC000877894380 662885478 /nfs/dbraw/zinc/88/54/78/662885478.db2.gz LGXPNJPNYHXQAD-LJQANCHMSA-N 1 0 375.563 2.968 20 0 GFADRO Cn1nc2c(c1C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1)CSCC2 ZINC000877943376 662886567 /nfs/dbraw/zinc/88/65/67/662886567.db2.gz GBCYHXAQRYOCDX-OAHLLOKOSA-N 1 0 376.551 2.838 20 0 GFADRO O[C@H](C[NH+]1C[C@@H]2CN(c3ccccc3)C[C@H]2C1)c1cc(Br)no1 ZINC000877980044 662887400 /nfs/dbraw/zinc/88/74/00/662887400.db2.gz GRHNTBYBZLUWJQ-UMVBOHGHSA-N 1 0 378.270 2.539 20 0 GFADRO CN(C[C@H](O)c1cc(Br)no1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000878151573 662890986 /nfs/dbraw/zinc/89/09/86/662890986.db2.gz XUFXWKKUIFVVSP-CVEARBPZSA-N 1 0 394.313 2.924 20 0 GFADRO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)Cc2c(Br)cnn2C)C1 ZINC000878248063 662892396 /nfs/dbraw/zinc/89/23/96/662892396.db2.gz PCDKJLQPPQHLGE-KBPBESRZSA-N 1 0 385.350 2.599 20 0 GFADRO C[N@@H+]1CCC[C@@H](NC(=O)c2cc(Br)nn2-c2ncccc2Cl)C1 ZINC000878373672 662894707 /nfs/dbraw/zinc/89/47/07/662894707.db2.gz NELMCXNDQYTFSE-SNVBAGLBSA-N 1 0 398.692 2.507 20 0 GFADRO Cn1c2ccccc2nc1C(C)(C)[NH2+]C[C@H](O)c1cc(Br)no1 ZINC000878443165 662896518 /nfs/dbraw/zinc/89/65/18/662896518.db2.gz VVUBYKITXMXHLT-LBPRGKRZSA-N 1 0 379.258 2.882 20 0 GFADRO NC(=O)c1ccc(CC[N@H+](CCO)Cc2cc(Br)cs2)cc1 ZINC000878508380 662897642 /nfs/dbraw/zinc/89/76/42/662897642.db2.gz BQTCRPZFNWZSJU-UHFFFAOYSA-N 1 0 383.311 2.647 20 0 GFADRO C[C@](CO)([NH2+]C[C@@H](O)CC1(CO)CCCC1)c1ccc(Br)cc1 ZINC000878603310 662900052 /nfs/dbraw/zinc/90/00/52/662900052.db2.gz XLAWUYOBPHVVAM-DLBZAZTESA-N 1 0 386.330 2.550 20 0 GFADRO OCC1(C[C@H](O)C[N@@H+]2CC[C@@H](Oc3cncc(Br)c3)C2)CCCC1 ZINC000878876848 662907926 /nfs/dbraw/zinc/90/79/26/662907926.db2.gz VWABRIOEVJJOKP-JKSUJKDBSA-N 1 0 399.329 2.601 20 0 GFADRO C[N@H+](CCc1ccccc1)[C@H]1CCN(C[C@H](O)c2cc(Br)no2)C1 ZINC000878935541 662910292 /nfs/dbraw/zinc/91/02/92/662910292.db2.gz CMNWKKJXDIQQNT-HOTGVXAUSA-N 1 0 394.313 2.719 20 0 GFADRO C[C@H]([NH2+]C[C@H](O)CC1(O)CCOCC1)c1ccc(C(F)(F)F)nc1Cl ZINC000879018860 662913432 /nfs/dbraw/zinc/91/34/32/662913432.db2.gz ZPOPJUQQJWPURB-WDEREUQCSA-N 1 0 382.810 2.697 20 0 GFADRO CN(C[C@@H](O)C[N@H+](C)Cc1ccc(Br)cn1)C(=O)OC(C)(C)C ZINC000879081433 662915778 /nfs/dbraw/zinc/91/57/78/662915778.db2.gz YORPDGUEVCGTLA-AWEZNQCLSA-N 1 0 388.306 2.504 20 0 GFADRO OC[C@H]([NH2+]C[C@H](O)c1cc(Br)no1)c1cccc(C(F)(F)F)c1 ZINC000879114140 662917461 /nfs/dbraw/zinc/91/74/61/662917461.db2.gz HITIOXVTCQMBTC-QWRGUYRKSA-N 1 0 395.175 2.813 20 0 GFADRO OCC[C@@H]([NH2+]C[C@@H](O)c1cc(Br)no1)c1ccc(Cl)c(F)c1 ZINC000879114583 662917553 /nfs/dbraw/zinc/91/75/53/662917553.db2.gz LOONPVALDKUGQF-VXGBXAGGSA-N 1 0 393.640 2.976 20 0 GFADRO CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)Nc2ccc(Cl)c(OC(F)F)c2)C1 ZINC000879136429 662918288 /nfs/dbraw/zinc/91/82/88/662918288.db2.gz PTTDBMXAFOMLPV-NSHDSACASA-N 1 0 377.819 2.908 20 0 GFADRO CCOP(=O)(OCC)[C@H](O)C[N@@H+]1C[C@H](NC(=O)OC(C)(C)C)C[C@@H]1C ZINC000879225107 662921005 /nfs/dbraw/zinc/92/10/05/662921005.db2.gz WUTCEPSYTUDTIS-MJBXVCDLSA-N 1 0 380.422 2.558 20 0 GFADRO C[NH+]1CCC(n2ccc(NC(=O)NCCSCCC(F)(F)F)n2)CC1 ZINC000879407219 662925544 /nfs/dbraw/zinc/92/55/44/662925544.db2.gz WULOLTIBYZBFET-UHFFFAOYSA-N 1 0 379.452 2.957 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN([C@H]3CCN(c4cccc(Br)c4)C3=O)CC[C@H]21 ZINC000879582171 662929905 /nfs/dbraw/zinc/92/99/05/662929905.db2.gz QPRMUTIWAHLROV-XYPHTWIQSA-N 1 0 378.314 2.580 20 0 GFADRO Cc1cnc(Br)c(NC(=O)N2CCC[C@H]([NH2+]C3CCOCC3)C2)c1 ZINC000879618840 662930508 /nfs/dbraw/zinc/93/05/08/662930508.db2.gz DYTRMAVZENRJDN-AWEZNQCLSA-N 1 0 397.317 2.917 20 0 GFADRO Cn1nc(Br)cc1NC(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000879644766 662933359 /nfs/dbraw/zinc/93/33/59/662933359.db2.gz LEPVEZIULINQRL-LLVKDONJSA-N 1 0 382.262 2.734 20 0 GFADRO Cn1nc(Br)cc1NC(=O)N(CC[NH+](C)C)Cc1cccc(F)c1 ZINC000879645074 662933615 /nfs/dbraw/zinc/93/36/15/662933615.db2.gz JEYXVRMBYVBNKX-UHFFFAOYSA-N 1 0 398.280 2.917 20 0 GFADRO CC[C@H](C)[NH2+][C@@H](CNC(=O)Cc1c(Br)cnn1C)c1ccco1 ZINC000879927069 662942524 /nfs/dbraw/zinc/94/25/24/662942524.db2.gz LPQDHFNWBJEJCV-AAEUAGOBSA-N 1 0 383.290 2.564 20 0 GFADRO CC[C@H](C)[NH2+][C@H](CNC(=O)Cc1c(Br)cnn1C)c1ccco1 ZINC000879927071 662942571 /nfs/dbraw/zinc/94/25/71/662942571.db2.gz LPQDHFNWBJEJCV-WCQYABFASA-N 1 0 383.290 2.564 20 0 GFADRO Cc1csc([C@H]2CC[N@H+](CCN(Cc3ccccc3)S(C)(=O)=O)C2)n1 ZINC000880012221 662945232 /nfs/dbraw/zinc/94/52/32/662945232.db2.gz OBKDMIVGTPANSY-KRWDZBQOSA-N 1 0 379.551 2.703 20 0 GFADRO Cn1cc(NC(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)c(Br)n1 ZINC000880037504 662946248 /nfs/dbraw/zinc/94/62/48/662946248.db2.gz HNIMZVKDRPRKSS-CYBMUJFWSA-N 1 0 384.253 2.746 20 0 GFADRO Cc1ccc([C@H](CNC(=O)Nc2cn(C)nc2Br)[NH+](C)C)cc1 ZINC000880044190 662946845 /nfs/dbraw/zinc/94/68/45/662946845.db2.gz WZNGGTACGGXWCC-AWEZNQCLSA-N 1 0 380.290 2.915 20 0 GFADRO O=C(CN1CCC[C@H]([NH2+]C2CCOCC2)C1)Nc1ccc(Br)cc1 ZINC000880208799 662954586 /nfs/dbraw/zinc/95/45/86/662954586.db2.gz VBTFWATXEQEZIS-KRWDZBQOSA-N 1 0 396.329 2.621 20 0 GFADRO CO[C@@]1(C(F)(F)F)CCN(CCC[N@@H+]2CC[C@@](OC)(C(F)(F)F)C2)C1 ZINC000880306568 662957584 /nfs/dbraw/zinc/95/75/84/662957584.db2.gz VREMRDIKXILEOT-STQMWFEESA-N 1 0 378.357 2.683 20 0 GFADRO CC[C@@H]([NH2+]Cc1cc(=O)n2cc(Br)ccc2n1)[C@@H]1CCCOC1 ZINC000880470388 662960578 /nfs/dbraw/zinc/96/05/78/662960578.db2.gz ZRUBOEZATFUJQU-IUODEOHRSA-N 1 0 380.286 2.752 20 0 GFADRO C[C@@H](C(=O)Nc1cccc(Br)c1)[N@@H+]1C[C@@H](O)CC2(CCOCC2)C1 ZINC000880589999 662963587 /nfs/dbraw/zinc/96/35/87/662963587.db2.gz XDUYGCONTAGXKP-BBRMVZONSA-N 1 0 397.313 2.640 20 0 GFADRO O=C(Nc1cccc(F)c1Br)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000881134838 662982255 /nfs/dbraw/zinc/98/22/55/662982255.db2.gz AWOMSLVOOXUBRY-LBPRGKRZSA-N 1 0 386.265 2.963 20 0 GFADRO COc1ncc(C(=O)N2CCN(c3cc[nH+]cc3)[C@H](C)C2)cc1Br ZINC000881631362 662998426 /nfs/dbraw/zinc/99/84/26/662998426.db2.gz VJIUOALLWZMWIG-GFCCVEGCSA-N 1 0 391.269 2.599 20 0 GFADRO CCCC[N@H+](C)CCNc1cnn(CC(F)(F)F)c(=O)c1Br ZINC000881977350 663011811 /nfs/dbraw/zinc/01/18/11/663011811.db2.gz UJDWMHOHTOLVPY-UHFFFAOYSA-N 1 0 385.228 2.712 20 0 GFADRO C[C@@H]1CN(S(=O)(=O)c2cnc(Cl)c(Cl)c2)CCN1c1cc[nH+]cc1 ZINC000882620953 663033598 /nfs/dbraw/zinc/03/35/98/663033598.db2.gz DKCLWTFONHHFNW-LLVKDONJSA-N 1 0 387.292 2.683 20 0 GFADRO CC[C@H](CSc1ccc(Cl)cc1)[NH2+]Cc1nnc2c(=O)n(C)ccn12 ZINC000883333442 663053502 /nfs/dbraw/zinc/05/35/02/663053502.db2.gz TYTFIFNDBNJPLY-CYBMUJFWSA-N 1 0 377.901 2.742 20 0 GFADRO CCC(=O)N1CCC([NH2+][C@@H]2CCc3cc(Br)ccc3NC2=O)CC1 ZINC000883377161 663054272 /nfs/dbraw/zinc/05/42/72/663054272.db2.gz AKFDLSFGSAFRGV-MRXNPFEDSA-N 1 0 394.313 2.693 20 0 GFADRO NC(=O)c1csc(C[NH2+][C@@H]2CCc3cc(Br)ccc3NC2=O)c1 ZINC000883386480 663054552 /nfs/dbraw/zinc/05/45/52/663054552.db2.gz GTSRWPFGNJYQKN-CQSZACIVSA-N 1 0 394.294 2.653 20 0 GFADRO Cc1c2cc(F)ccc2oc1S(=O)(=O)N1CCc2sc(C[NH3+])nc2C1 ZINC000883481395 663055926 /nfs/dbraw/zinc/05/59/26/663055926.db2.gz JVWRXRZAFNJWJT-UHFFFAOYSA-N 1 0 381.454 2.543 20 0 GFADRO [NH3+]Cc1nc2c(s1)CCN(S(=O)(=O)c1c(Cl)cccc1Cl)C2 ZINC000883481588 663056088 /nfs/dbraw/zinc/05/60/88/663056088.db2.gz RXUKIBJCSUCBQR-UHFFFAOYSA-N 1 0 378.306 2.656 20 0 GFADRO CSc1cc(Cl)ccc1NC(=O)C(=O)N1CCc2sc(C[NH3+])nc2C1 ZINC000883622839 663058239 /nfs/dbraw/zinc/05/82/39/663058239.db2.gz BDCMMVMPRADTNJ-UHFFFAOYSA-N 1 0 396.925 2.501 20 0 GFADRO CCC1([NH3+])CCN(C(=O)C(=O)Nc2ccc(Cl)c(OC(F)F)c2)CC1 ZINC000883627794 663058381 /nfs/dbraw/zinc/05/83/81/663058381.db2.gz OYYIIUBUZRCLHV-UHFFFAOYSA-N 1 0 375.803 2.610 20 0 GFADRO CCC(CC)(NC(=O)[C@@H]([NH3+])CCS(C)(=O)=O)c1ccc(Cl)c(Cl)c1 ZINC000884127250 663065620 /nfs/dbraw/zinc/06/56/20/663065620.db2.gz ZHLSUACHPJQODD-AWEZNQCLSA-N 1 0 395.352 2.887 20 0 GFADRO CCNc1ccc(S(=O)(=O)C(F)F)cc1NC(=O)[C@H](CC(C)C)[NH2+]C ZINC000884134243 663065646 /nfs/dbraw/zinc/06/56/46/663065646.db2.gz AOSBKHJLVXNNPZ-AWEZNQCLSA-N 1 0 377.457 2.687 20 0 GFADRO CCOC(=O)c1cc(NC(=O)[C@@H]([NH3+])c2ccc(Br)cc2)cn1C ZINC000884168855 663066445 /nfs/dbraw/zinc/06/64/45/663066445.db2.gz PVHPHDDUTXKIQP-AWEZNQCLSA-N 1 0 380.242 2.603 20 0 GFADRO [NH3+][C@@H](C(=O)NCc1ccnc(N2CCCC2)c1)c1ccc(Br)cc1 ZINC000884183608 663066699 /nfs/dbraw/zinc/06/66/99/663066699.db2.gz ROTXXBNKUCBSJS-QGZVFWFLSA-N 1 0 389.297 2.761 20 0 GFADRO O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1cc2c(cncc2Cl)s1 ZINC000884280081 663068109 /nfs/dbraw/zinc/06/81/09/663068109.db2.gz AWKVFCVGFPIOEQ-ZDUSSCGKSA-N 1 0 392.834 2.516 20 0 GFADRO Cc1nn(C)c(C)c1CCCNC(=O)[C@@H]([NH3+])c1ccc(Br)cc1 ZINC000884314236 663068706 /nfs/dbraw/zinc/06/87/06/663068706.db2.gz CURGGWDKLPWNMT-INIZCTEOSA-N 1 0 379.302 2.548 20 0 GFADRO C[C@H]([NH3+])C[C@H](C)NC(=O)c1cc(Br)nn1-c1ncccc1Cl ZINC000884372008 663069713 /nfs/dbraw/zinc/06/97/13/663069713.db2.gz DQHRTGIBISYVKS-IUCAKERBSA-N 1 0 386.681 2.539 20 0 GFADRO O=C(COCCc1ccc(Br)cc1)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000884370958 663069734 /nfs/dbraw/zinc/06/97/34/663069734.db2.gz AURAQNIQNUELOY-INIZCTEOSA-N 1 0 381.314 2.799 20 0 GFADRO C[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000884543797 663072278 /nfs/dbraw/zinc/07/22/78/663072278.db2.gz NTMVDJXCQIHZNT-LALPHHSUSA-N 1 0 386.323 2.674 20 0 GFADRO O=S(=O)(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cc(Br)c(F)cc1F ZINC000884950940 663079335 /nfs/dbraw/zinc/07/93/35/663079335.db2.gz UYPCWNOHFTUKMS-VHSXEESVSA-N 1 0 395.269 2.632 20 0 GFADRO Cc1cc(Br)ccc1CS(=O)(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000885004280 663082790 /nfs/dbraw/zinc/08/27/90/663082790.db2.gz VZFYOSXVQDNICJ-ZDUSSCGKSA-N 1 0 375.332 2.519 20 0 GFADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1cc(OC)c(OC)cc1Cl ZINC000885456602 663091030 /nfs/dbraw/zinc/09/10/30/663091030.db2.gz BISIRKYMFFZAJM-OLZOCXBDSA-N 1 0 388.917 2.605 20 0 GFADRO O=C(C[NH2+][C@H]1CCOC2(CCOCC2)C1)Nc1ccc(Br)cc1 ZINC000885926523 663101815 /nfs/dbraw/zinc/10/18/15/663101815.db2.gz DZJBAEAXXNKHGQ-HNNXBMFYSA-N 1 0 383.286 2.705 20 0 GFADRO OC[C@H](C[C@H]1CCCO1)[NH2+]Cc1c(F)ccc(I)c1F ZINC000886223043 663105155 /nfs/dbraw/zinc/10/51/55/663105155.db2.gz FMSIMLOGDLTIFD-VHSXEESVSA-N 1 0 397.203 2.589 20 0 GFADRO CCCOc1c(Br)cc(C[NH2+][C@H]2C[C@@H](O)[C@@H](O)C2)cc1OCC ZINC000886257912 663106334 /nfs/dbraw/zinc/10/63/34/663106334.db2.gz PCEBFGJVICLMEG-YOWGUQMCSA-N 1 0 388.302 2.610 20 0 GFADRO COC[C@H]([NH2+]Cc1cccc(F)c1I)[C@@H]1CCCOC1 ZINC000886355736 663108778 /nfs/dbraw/zinc/10/87/78/663108778.db2.gz MYBCHDZCTWOOCH-OCCSQVGLSA-N 1 0 393.240 2.962 20 0 GFADRO CO[C@@H](CS(=O)(=O)Nc1ccc(C[NH+](C)C)c(C(F)(F)F)c1)C1CC1 ZINC000886481106 663112902 /nfs/dbraw/zinc/11/29/02/663112902.db2.gz RQCDOSXWVHASJH-HNNXBMFYSA-N 1 0 380.432 2.934 20 0 GFADRO COC(=O)[C@H]1CC[C@@H]([NH2+]Cc2ccc(S(C)(=O)=O)c(C(F)(F)F)c2)C1 ZINC000886601276 663114441 /nfs/dbraw/zinc/11/44/41/663114441.db2.gz OEKZUUFZUBNWPZ-NWDGAFQWSA-N 1 0 379.400 2.540 20 0 GFADRO C[C@H]([NH2+][C@H](CO)C[C@H]1CCCO1)c1ccccc1I ZINC000886666712 663115454 /nfs/dbraw/zinc/11/54/54/663115454.db2.gz YPRUITOJFJBOCM-RWMBFGLXSA-N 1 0 375.250 2.872 20 0 GFADRO C[C@@H]([NH2+]CCN1CCNC1=O)c1ccc(Br)cc1Br ZINC000886740621 663116746 /nfs/dbraw/zinc/11/67/46/663116746.db2.gz CTRFMNICSWEOQG-SECBINFHSA-N 1 0 391.107 2.887 20 0 GFADRO CC[C@H]1CN(S(=O)(=O)Cc2ccc(Br)cc2C)CC[C@@H]1[NH3+] ZINC000886885486 663123466 /nfs/dbraw/zinc/12/34/66/663123466.db2.gz XCKMFAYBEXBVQT-WFASDCNBSA-N 1 0 375.332 2.647 20 0 GFADRO C[C@H]1CCCc2nc(S(=O)(=O)N(CC[NH3+])Cc3cccc(Cl)c3)cn21 ZINC000886894455 663123853 /nfs/dbraw/zinc/12/38/53/663123853.db2.gz PEOYHCLXCLFLNI-ZDUSSCGKSA-N 1 0 382.917 2.583 20 0 GFADRO Cc1cc(Br)cc(C)c1S(=O)(=O)NC[C@H]1C[NH2+]CCC1(F)F ZINC000886896493 663123988 /nfs/dbraw/zinc/12/39/88/663123988.db2.gz LORWXOZPQWUXHN-LLVKDONJSA-N 1 0 397.285 2.589 20 0 GFADRO CCOC(=O)c1c(C)c(C)sc1NC(=O)NC[C@H]1C[NH2+]CCC1(F)F ZINC000886936991 663125309 /nfs/dbraw/zinc/12/53/09/663125309.db2.gz QTYLCKIMBYRRJT-LLVKDONJSA-N 1 0 375.441 2.908 20 0 GFADRO COCCOc1ccc(Br)cc1NC(=O)NCc1cc(N)cc[nH+]1 ZINC000886940342 663125447 /nfs/dbraw/zinc/12/54/47/663125447.db2.gz UJOLEDJWPTYZMA-UHFFFAOYSA-N 1 0 395.257 2.773 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H](NC(=O)C(=O)Nc2cc(Br)c3ccccc3c2)C1 ZINC000886983535 663127150 /nfs/dbraw/zinc/12/71/50/663127150.db2.gz AWNNAXGDNBGBJN-CHWSQXEVSA-N 1 0 390.281 2.927 20 0 GFADRO [NH3+][C@H]1CCCN(Cc2cn(Cc3cc(Cl)cc(Br)c3)nn2)C1 ZINC000887446490 663146767 /nfs/dbraw/zinc/14/67/67/663146767.db2.gz CWPSCJAZOYIYRF-AWEZNQCLSA-N 1 0 384.709 2.665 20 0 GFADRO FC(F)(F)Cc1nc(-c2cn(CCC[NH+]3CCSCC3)nn2)cs1 ZINC000887489365 663148182 /nfs/dbraw/zinc/14/81/82/663148182.db2.gz ZDMIOFPENVQTSW-UHFFFAOYSA-N 1 0 377.461 2.945 20 0 GFADRO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)c1cn(C)nc1Br ZINC000887857737 663165679 /nfs/dbraw/zinc/16/56/79/663165679.db2.gz PEVDVKJQPLNIAH-BBRMVZONSA-N 1 0 389.297 2.939 20 0 GFADRO C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)Nc1cncc(Br)c1 ZINC000887923421 663169959 /nfs/dbraw/zinc/16/99/59/663169959.db2.gz ALEOWSRYNZJITG-LBPRGKRZSA-N 1 0 376.258 2.982 20 0 GFADRO COc1cc(/C=C/C(=O)N2C[C@@H]3C[N@H+](C)C[C@]3(C)C2)cc(Br)c1O ZINC000887936568 663170915 /nfs/dbraw/zinc/17/09/15/663170915.db2.gz OGNCNSCTUNBJSB-AJALSWGYSA-N 1 0 395.297 2.587 20 0 GFADRO O=C(Nc1nc2ccc(Cl)nc2s1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000888786753 663216049 /nfs/dbraw/zinc/21/60/49/663216049.db2.gz WEAARTYCNVRLBS-NSHDSACASA-N 1 0 381.889 2.531 20 0 GFADRO O=C(C/C=C\c1ccc(Br)cc1)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000889740122 663262151 /nfs/dbraw/zinc/26/21/51/663262151.db2.gz UQAHZQYKHYTZOZ-QJOMNDLPSA-N 1 0 393.325 2.910 20 0 GFADRO C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000889745679 663262433 /nfs/dbraw/zinc/26/24/33/663262433.db2.gz YBNMMDNRBIJXFA-APHBMKBZSA-N 1 0 387.307 2.818 20 0 GFADRO C/C(=C/c1ccc(Br)o1)C(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000889743242 663262543 /nfs/dbraw/zinc/26/25/43/663262543.db2.gz MSSKHMMFLAEAMF-IWRDHYCXSA-N 1 0 383.286 2.503 20 0 GFADRO CSc1cc(C(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)ccc1Br ZINC000889744389 663262556 /nfs/dbraw/zinc/26/25/56/663262556.db2.gz MIAZTABDYMHCLK-GJZGRUSLSA-N 1 0 399.354 2.842 20 0 GFADRO CSc1cc(Br)ccc1C(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000889748462 663263013 /nfs/dbraw/zinc/26/30/13/663263013.db2.gz FVZALGWTFDEPKU-CABCVRRESA-N 1 0 399.354 2.842 20 0 GFADRO O=C([C@@H]1CCc2cc(Br)ccc21)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000889751148 663263197 /nfs/dbraw/zinc/26/31/97/663263197.db2.gz RUQWWRQMGDPEOW-FGTMMUONSA-N 1 0 393.325 2.537 20 0 GFADRO C[NH+](C)CCCNC(=O)C(=O)Nc1cc(Br)c2ccccc2c1 ZINC000889754967 663263302 /nfs/dbraw/zinc/26/33/02/663263302.db2.gz XEAXGJLSJFUIBG-UHFFFAOYSA-N 1 0 378.270 2.609 20 0 GFADRO O=C(N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO)C1(c2ccccc2Br)CC1 ZINC000889755661 663263674 /nfs/dbraw/zinc/26/36/74/663263674.db2.gz IDZLTHDQOIJQNC-IAGOWNOFSA-N 1 0 393.325 2.538 20 0 GFADRO Cc1cc(C)c(Br)c(C(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)c1 ZINC000889760619 663264412 /nfs/dbraw/zinc/26/44/12/663264412.db2.gz HCYLOZBIGHDLDT-CVEARBPZSA-N 1 0 381.314 2.737 20 0 GFADRO O=C(c1c[nH]c2cccc(Br)c12)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000889764915 663264810 /nfs/dbraw/zinc/26/48/10/663264810.db2.gz UOGDCVJWCKEUSC-HZPDHXFCSA-N 1 0 392.297 2.602 20 0 GFADRO O=C(c1cccc(Br)c1Cl)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000889763934 663264917 /nfs/dbraw/zinc/26/49/17/663264917.db2.gz VJGYDWWRZKHBKU-UONOGXRCSA-N 1 0 387.705 2.774 20 0 GFADRO O=C(c1cccc(Br)c1Cl)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000889763932 663265022 /nfs/dbraw/zinc/26/50/22/663265022.db2.gz VJGYDWWRZKHBKU-KBPBESRZSA-N 1 0 387.705 2.774 20 0 GFADRO O=C(c1c[nH]c2ccc(Br)cc12)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000889779001 663266523 /nfs/dbraw/zinc/26/65/23/663266523.db2.gz CBULBBVZYSCWDH-IAGOWNOFSA-N 1 0 392.297 2.602 20 0 GFADRO O=C(c1ccc2c(Br)cnn2c1)N1CCC([NH2+]C2CCC2)CC1 ZINC000889817979 663270050 /nfs/dbraw/zinc/27/00/50/663270050.db2.gz LCIYJYNHXBHWBS-UHFFFAOYSA-N 1 0 377.286 2.844 20 0 GFADRO O=C(c1nc(Br)c2ccccn21)N1CCC([NH2+]C2CCC2)CC1 ZINC000889818403 663270214 /nfs/dbraw/zinc/27/02/14/663270214.db2.gz YEHGJXQXTHKLMF-UHFFFAOYSA-N 1 0 377.286 2.844 20 0 GFADRO CN(CCCN1CC[NH+](C)CC1)C(=O)NCCc1ccc(Cl)c(Cl)c1 ZINC000890895652 663316380 /nfs/dbraw/zinc/31/63/80/663316380.db2.gz ZYTBFBNVQOYFIM-UHFFFAOYSA-N 1 0 387.355 2.815 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)NCc2sccc2Br)C[C@H]1C(F)(F)F ZINC000891462652 663340241 /nfs/dbraw/zinc/34/02/41/663340241.db2.gz VXDOAVKJUHMJIV-HTQZYQBOSA-N 1 0 386.237 2.789 20 0 GFADRO COc1cc(CNC(=O)N2CCC[C@H]3[NH2+]CC[C@@H]32)cc(Br)c1OC ZINC000891466500 663340402 /nfs/dbraw/zinc/34/04/02/663340402.db2.gz XJACSQQOHSXXIB-KGLIPLIRSA-N 1 0 398.301 2.502 20 0 GFADRO C[C@H]1C[C@@H]([NH3+])CN1C(=O)NCc1cc(Br)ccc1OC(F)F ZINC000891471587 663340429 /nfs/dbraw/zinc/34/04/29/663340429.db2.gz JICUBBHBPRZFSI-GZMMTYOYSA-N 1 0 378.217 2.682 20 0 GFADRO CO[C@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000891574426 663344292 /nfs/dbraw/zinc/34/42/92/663344292.db2.gz FXDMKHMOYHXYEF-WHOFXGATSA-N 1 0 375.847 2.960 20 0 GFADRO NC(=O)c1ccc(C[N@H+](Cc2ncc(Br)cc2O)C2CC2)cc1 ZINC000891649297 663346368 /nfs/dbraw/zinc/34/63/68/663346368.db2.gz NIOGSKSWEWTOGG-UHFFFAOYSA-N 1 0 376.254 2.813 20 0 GFADRO CCC1([NH3+])CCN(C(=O)N[C@H]2COc3cc(F)c(Br)cc32)CC1 ZINC000891888341 663354452 /nfs/dbraw/zinc/35/44/52/663354452.db2.gz SDSXSRGYCGJCKV-ZDUSSCGKSA-N 1 0 386.265 2.935 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)NCCOc2ccc(F)c(Cl)c2)C[C@H]1C(F)(F)F ZINC000891928811 663355837 /nfs/dbraw/zinc/35/58/37/663355837.db2.gz CRMSNRVHFJUCPJ-GXSJLCMTSA-N 1 0 383.773 2.637 20 0 GFADRO C[C@@H](C[NH3+])CNC(=O)N1CC2(CCOCC2)c2ccc(Br)cc21 ZINC000892045766 663360385 /nfs/dbraw/zinc/36/03/85/663360385.db2.gz VQHJSAWTDQDXQQ-LBPRGKRZSA-N 1 0 382.302 2.622 20 0 GFADRO Cc1ccc([C@H](CNC(=O)NCc2ncc(Br)cn2)[NH+](C)C)cc1 ZINC000892409306 663372584 /nfs/dbraw/zinc/37/25/84/663372584.db2.gz BLJFGVGHRHMTKL-HNNXBMFYSA-N 1 0 392.301 2.650 20 0 GFADRO [NH3+][C@@H](CCNC(=O)NCc1ccc(Br)cn1)Cc1ccccc1 ZINC000892414197 663372757 /nfs/dbraw/zinc/37/27/57/663372757.db2.gz LKOIZQNYUJJRLH-HNNXBMFYSA-N 1 0 377.286 2.603 20 0 GFADRO COc1ccc([C@H](C[NH2+]C[C@@H]2C[C@]2(C)Br)N2CCOCC2)cc1 ZINC000892439194 663373780 /nfs/dbraw/zinc/37/37/80/663373780.db2.gz TZIOCCXQRYDHAL-SZMVWBNQSA-N 1 0 383.330 2.832 20 0 GFADRO CC1(C)C[NH2+]CC[C@H](NC(=O)N[C@H](CO)c2ccc(Br)cc2)C1 ZINC000892478371 663374808 /nfs/dbraw/zinc/37/48/08/663374808.db2.gz LEVZCDUBHHZBKP-LSDHHAIUSA-N 1 0 384.318 2.560 20 0 GFADRO [NH3+][C@@H]1CCCO[C@H]1C1CCN(C(=O)NCCSCCC(F)(F)F)CC1 ZINC000892542565 663376935 /nfs/dbraw/zinc/37/69/35/663376935.db2.gz PZAMLSJLYIBORB-KGLIPLIRSA-N 1 0 383.480 2.600 20 0 GFADRO [NH3+][C@H]1C[C@@H](CNC(=O)N2CCC(Nc3cccc(Br)c3)CC2)C1 ZINC000892557976 663377288 /nfs/dbraw/zinc/37/72/88/663377288.db2.gz GRVIVOWWNXDNNZ-XBXGTLAGSA-N 1 0 381.318 2.772 20 0 GFADRO O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)N[C@H](CCO)c1ccccc1Br ZINC000892595565 663378367 /nfs/dbraw/zinc/37/83/67/663378367.db2.gz HSRTUUPEOLMIAF-UMPJEAMMSA-N 1 0 396.329 2.702 20 0 GFADRO Brc1cnc(N2CC[C@@H](C[NH+]3CCOCC3)C2)c2ncccc12 ZINC000892680818 663380992 /nfs/dbraw/zinc/38/09/92/663380992.db2.gz UPMOBMLSOWPMSX-ZDUSSCGKSA-N 1 0 377.286 2.551 20 0 GFADRO C[C@]1(NC(=O)[C@@H]2[C@@H]3Cc4c(cccc4Br)[C@@H]32)C[NH+]2CCC1CC2 ZINC000892763188 663383886 /nfs/dbraw/zinc/38/38/86/663383886.db2.gz LYWRNLKDKSZGQI-XZKMEQPCSA-N 1 0 375.310 2.935 20 0 GFADRO C[C@]1(NC(=O)c2cnn(-c3ccccc3)c2Br)C[NH+]2CCC1CC2 ZINC000892781431 663384644 /nfs/dbraw/zinc/38/46/44/663384644.db2.gz XPUDMACEVIGUED-SFHVURJKSA-N 1 0 389.297 2.849 20 0 GFADRO CCC1([NH3+])CCN(C(=O)NC[C@@H](CO)Cc2ccc(Br)cc2)CC1 ZINC000892932350 663390251 /nfs/dbraw/zinc/39/02/51/663390251.db2.gz GXNVHGIFSDSICT-HNNXBMFYSA-N 1 0 398.345 2.513 20 0 GFADRO COc1ccc(C[NH2+]CCc2ccc(S(=O)(=O)N3CCCCC3)s2)o1 ZINC000893086320 663396242 /nfs/dbraw/zinc/39/62/42/663396242.db2.gz OMHTTYQKMYUGAQ-UHFFFAOYSA-N 1 0 384.523 2.857 20 0 GFADRO COc1cc(Br)ccc1CCC[NH2+][C@@H](C)[C@H]1CCS(=O)(=O)C1 ZINC000893528360 663413924 /nfs/dbraw/zinc/41/39/24/663413924.db2.gz XHTHUANEJGUPJN-JSGCOSHPSA-N 1 0 390.343 2.803 20 0 GFADRO CC(C)[NH2+][C@H]1CCCN(C(=O)C[C@@H]2C(=O)Nc3c2cccc3Br)C1 ZINC000893801431 663425300 /nfs/dbraw/zinc/42/53/00/663425300.db2.gz SUOVTVSCSGTAEV-JSGCOSHPSA-N 1 0 394.313 2.864 20 0 GFADRO CO[C@@H]1CC[C@H]1N(C)C(=O)NCCc1cn2cc(Br)cc(C)c2n1 ZINC000894166099 663446374 /nfs/dbraw/zinc/44/63/74/663446374.db2.gz HMNDAZYGXVQMTA-HUUCEWRRSA-N 1 0 395.301 2.767 20 0 GFADRO C[C@H](NCc1cn(C)nc1I)c1ccc2c(c1)OCO2 ZINC000894165176 663446413 /nfs/dbraw/zinc/44/64/13/663446413.db2.gz JPDFRWHCLOBWFR-VIFPVBQESA-N 1 0 385.205 2.604 20 0 GFADRO Clc1nc(N2CCOCC2)sc1C[NH2+]CCN1Cc2ccccc2C1 ZINC000894167386 663446744 /nfs/dbraw/zinc/44/67/44/663446744.db2.gz YFKCPKLJJWPIOA-UHFFFAOYSA-N 1 0 378.929 2.739 20 0 GFADRO Cn1ncc(I)c1C[NH2+]C[C@@H]1CCCO[C@H]1C(C)(C)C ZINC000894259667 663451357 /nfs/dbraw/zinc/45/13/57/663451357.db2.gz GARHCAWZCAUGAO-SMDDNHRTSA-N 1 0 391.297 2.956 20 0 GFADRO Clc1nc(N2CCOCC2)sc1C[NH2+]CCCOCC1CCOCC1 ZINC000894291787 663452870 /nfs/dbraw/zinc/45/28/70/663452870.db2.gz NETSBHLUPJRFBR-UHFFFAOYSA-N 1 0 389.949 2.556 20 0 GFADRO C[C@@H](NCc1nc(Br)nn1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000894423359 663460676 /nfs/dbraw/zinc/46/06/76/663460676.db2.gz PEAKGUDCYBZSPJ-HIFRSBDPSA-N 1 0 378.318 2.578 20 0 GFADRO FC(F)(F)Cc1ncc(C[NH2+]C[C@H](N2CCOCC2)C(F)(F)F)s1 ZINC000894428045 663461002 /nfs/dbraw/zinc/46/10/02/663461002.db2.gz LJJBKGMPAMRBGI-JTQLQIEISA-N 1 0 377.354 2.601 20 0 GFADRO Cn1ccnc1[C@H]1CCC[N@H+](Cc2sc(N3CCOCC3)nc2Cl)C1 ZINC000894571962 663469612 /nfs/dbraw/zinc/46/96/12/663469612.db2.gz BGQNNXGJHPQHBD-ZDUSSCGKSA-N 1 0 381.933 2.746 20 0 GFADRO Cc1ccc([C@H](O)[C@H](C)[NH2+]Cc2cn(C)nc2I)cc1 ZINC000894747297 663479088 /nfs/dbraw/zinc/47/90/88/663479088.db2.gz GGEULIYWALGLCI-SMDDNHRTSA-N 1 0 385.249 2.545 20 0 GFADRO CC[C@H](C)[NH2+][C@H](CNC(=O)NCc1ncc(Br)cn1)c1ccco1 ZINC000894763747 663480482 /nfs/dbraw/zinc/48/04/82/663480482.db2.gz BCIGSOFVVIHJLF-WCQYABFASA-N 1 0 396.289 2.761 20 0 GFADRO Cn1cc(CNc2cc(N3CCOCC3)c(Br)c[nH+]2)c(C2CC2)n1 ZINC000894788554 663481796 /nfs/dbraw/zinc/48/17/96/663481796.db2.gz SKMGHQKVJPWEDC-UHFFFAOYSA-N 1 0 392.301 2.904 20 0 GFADRO CC(C)(C)OC(=O)NC[C@@H]1C[N@H+](C[C@@H]2C[C@]2(C)Br)CCCO1 ZINC000894815945 663482802 /nfs/dbraw/zinc/48/28/02/663482802.db2.gz BNSUASJKPKLMHS-ZENOOKHLSA-N 1 0 377.323 2.776 20 0 GFADRO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+][C@H]2CCC3(C[C@@H]2F)OCCO3)c1 ZINC000894894417 663487105 /nfs/dbraw/zinc/48/71/05/663487105.db2.gz NQGHBOWBLXFNQT-HOTGVXAUSA-N 1 0 391.892 2.857 20 0 GFADRO CN1CC[NH+](C2CCN(c3nc4cc(Br)ccc4o3)CC2)CC1 ZINC000895027011 663496066 /nfs/dbraw/zinc/49/60/66/663496066.db2.gz AQCQQVAGURPNCL-UHFFFAOYSA-N 1 0 379.302 2.807 20 0 GFADRO CNC(=O)[C@H](C[NH2+]C[C@H]1C[C@]1(C)Br)Cc1ccc(OC)c(F)c1 ZINC000895084549 663498811 /nfs/dbraw/zinc/49/88/11/663498811.db2.gz YVMCIIXAGFCRGR-AHIWAGSCSA-N 1 0 387.293 2.502 20 0 GFADRO CC[C@@H]([NH2+]Cc1ncc(Br)cc1O)C(=O)NCc1cccs1 ZINC000895109116 663499727 /nfs/dbraw/zinc/49/97/27/663499727.db2.gz PRAYTTJYOXSCTN-GFCCVEGCSA-N 1 0 384.299 2.796 20 0 GFADRO CC(=O)Nc1cc(Br)ccc1CN1CCOC2(CC[NH+](C)CC2)C1 ZINC000895120438 663499950 /nfs/dbraw/zinc/49/99/50/663499950.db2.gz CUESHWKUVPLNCC-UHFFFAOYSA-N 1 0 396.329 2.704 20 0 GFADRO Cn1ncc(I)c1C[NH2+]CCc1nsc2ccccc21 ZINC000895334936 663508881 /nfs/dbraw/zinc/50/88/81/663508881.db2.gz ITVUTTJCFWIRMZ-UHFFFAOYSA-N 1 0 398.273 2.967 20 0 GFADRO C[C@@H](c1ccccc1)[C@@H](O)C[NH2+]Cc1sc(N2CCOCC2)nc1Cl ZINC000895340407 663509073 /nfs/dbraw/zinc/50/90/73/663509073.db2.gz RCFXXQCMCITQFG-ZFWWWQNUSA-N 1 0 381.929 2.887 20 0 GFADRO O=C1N(CC[NH2+]Cc2cc(Br)cnc2Cl)C[C@H]2CCCCN12 ZINC000895341463 663509084 /nfs/dbraw/zinc/50/90/84/663509084.db2.gz BHOUHPKEKQNCQT-CYBMUJFWSA-N 1 0 387.709 2.877 20 0 GFADRO Cc1ccc(C(C)(C)C[NH2+]Cc2c(I)cnn2C)nc1 ZINC000895392309 663511725 /nfs/dbraw/zinc/51/17/25/663511725.db2.gz NZKODPPYAOKWIL-UHFFFAOYSA-N 1 0 384.265 2.796 20 0 GFADRO COCCc1ccc(OC[C@H](C)[NH2+]Cc2cnc(Br)cn2)cc1 ZINC000895407597 663512226 /nfs/dbraw/zinc/51/22/26/663512226.db2.gz VHAUREYVGOIZQT-ZDUSSCGKSA-N 1 0 380.286 2.985 20 0 GFADRO CN(CC(=O)Nc1ccccc1Br)C(=O)[C@H]1CC[N@@H+]1C(C)(C)C ZINC000895466637 663515921 /nfs/dbraw/zinc/51/59/21/663515921.db2.gz YEDSASMBSUAJHI-CQSZACIVSA-N 1 0 382.302 2.719 20 0 GFADRO CC(=O)N1C[C@@H]2C[N@@H+](Cc3cnn(-c4ccc(Br)cc4)c3)C[C@@H]2C1 ZINC000895583342 663519596 /nfs/dbraw/zinc/51/95/96/663519596.db2.gz NQKUJCLJOLGLPC-IYBDPMFKSA-N 1 0 389.297 2.545 20 0 GFADRO CC[NH+](CC)[C@@H](CNC(=O)c1cn(C)nc1Br)Cc1ccccc1 ZINC000895676916 663522755 /nfs/dbraw/zinc/52/27/55/663522755.db2.gz FCGNHTFNHSVCFC-OAHLLOKOSA-N 1 0 393.329 2.866 20 0 GFADRO Cn1nc(Br)nc1CN1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000895793541 663527879 /nfs/dbraw/zinc/52/78/79/663527879.db2.gz ZMXSEIFCKKYAPC-JKSUJKDBSA-N 1 0 390.329 2.532 20 0 GFADRO C[C@@H](NC(=O)[C@@]12CC[N@H+](C1)CCC2)c1cc2c(cc1Br)OCCO2 ZINC000895799734 663527988 /nfs/dbraw/zinc/52/79/88/663527988.db2.gz NGZHDBJLNXYRGO-XIKOKIGWSA-N 1 0 395.297 2.883 20 0 GFADRO Cn1nc(Br)c2c1ncnc2N[C@@H](CC[NH+](C)C)c1cccnc1 ZINC000895893300 663532328 /nfs/dbraw/zinc/53/23/28/663532328.db2.gz VYTKRZYUVBHZPZ-LBPRGKRZSA-N 1 0 390.289 2.626 20 0 GFADRO C[NH+](C)C[C@H](NC(=O)N1CC[C@H](O)[C@@H](F)C1)c1ccc(Cl)c(Cl)c1 ZINC000896009566 663537356 /nfs/dbraw/zinc/53/73/56/663537356.db2.gz CDZZAVGTQDYNHN-KKUMJFAQSA-N 1 0 378.275 2.710 20 0 GFADRO CO[C@H]1CN(C(=O)N[C@@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)CCO1 ZINC000896017342 663537707 /nfs/dbraw/zinc/53/77/07/663537707.db2.gz WWUBGMXRIQTOEW-LSDHHAIUSA-N 1 0 376.284 2.610 20 0 GFADRO CC[NH+](CC)C[C@H]1CCN(C(=O)NCc2ncc(Br)s2)C1 ZINC000896263530 663547809 /nfs/dbraw/zinc/54/78/09/663547809.db2.gz COQAFEUHHCTNFN-LLVKDONJSA-N 1 0 375.336 2.779 20 0 GFADRO Cc1ccc(NC(=O)c2c[nH]nc2I)c(C[NH+](C)C)c1 ZINC000896354361 663552436 /nfs/dbraw/zinc/55/24/36/663552436.db2.gz WEBZSZZJSAXSTA-UHFFFAOYSA-N 1 0 384.221 2.637 20 0 GFADRO C[C@@H](NC(=O)CCCc1ccc(Br)cc1)[C@@H]1C[N@H+](C)CCN1C ZINC000896530579 663561059 /nfs/dbraw/zinc/56/10/59/663561059.db2.gz UOGBSRSGOFLKOL-PBHICJAKSA-N 1 0 382.346 2.522 20 0 GFADRO CSc1cc(Br)ccc1C(=O)N[C@H](C)[C@H]1C[N@H+](C)CCN1C ZINC000896532766 663561739 /nfs/dbraw/zinc/56/17/39/663561739.db2.gz MCRGEWJPSKYCQA-BXUZGUMPSA-N 1 0 386.359 2.535 20 0 GFADRO Cc1cc(Br)cc2c(C(=O)N[C@H](C)[C@@H]3C[N@H+](C)CCN3C)coc21 ZINC000896547532 663563009 /nfs/dbraw/zinc/56/30/09/663563009.db2.gz GOKDROLJUKOGSP-WBMJQRKESA-N 1 0 394.313 2.868 20 0 GFADRO Cc1cc(Br)cc2c(C(=O)N[C@@H](C)[C@@H]3C[N@H+](C)CCN3C)coc21 ZINC000896547530 663563152 /nfs/dbraw/zinc/56/31/52/663563152.db2.gz GOKDROLJUKOGSP-LRDDRELGSA-N 1 0 394.313 2.868 20 0 GFADRO CC(C)Oc1cc(Br)cc(C(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCN2C)c1 ZINC000896556385 663563345 /nfs/dbraw/zinc/56/33/45/663563345.db2.gz PEFBKGUXEMPAIN-GUYCJALGSA-N 1 0 398.345 2.600 20 0 GFADRO C[C@@H](NC(=O)c1csc(-c2ccc(Cl)s2)n1)[C@@H]1C[N@H+](C)CCN1C ZINC000896570500 663565500 /nfs/dbraw/zinc/56/55/00/663565500.db2.gz ZLSGUAPUEDXNJG-PWSUYJOCSA-N 1 0 384.958 2.889 20 0 GFADRO FC(F)(F)c1c[nH+]ccc1N1CCn2ncc(I)c2C1 ZINC000896602069 663567619 /nfs/dbraw/zinc/56/76/19/663567619.db2.gz JLZWVWNSOQYVDE-UHFFFAOYSA-N 1 0 394.138 2.922 20 0 GFADRO C[C@@H](NC(=O)NCC[NH+]1CCC(O)CC1)c1cc(Cl)cc(Cl)c1F ZINC000896649541 663569686 /nfs/dbraw/zinc/56/96/86/663569686.db2.gz JXBPJUGSXICAKC-SNVBAGLBSA-N 1 0 378.275 2.949 20 0 GFADRO Cn1cc(C(=O)N2CC[C@@H]([N@H+](C)Cc3ccccc3)C2)c(Br)n1 ZINC000896704172 663572693 /nfs/dbraw/zinc/57/26/93/663572693.db2.gz UTAKJLAPIPHVMP-CQSZACIVSA-N 1 0 377.286 2.529 20 0 GFADRO CC(C)(C[NH2+]C[C@]1(C)CCCN(C(=O)OC(C)(C)C)C1)CS(C)(=O)=O ZINC000896868521 663580138 /nfs/dbraw/zinc/58/01/38/663580138.db2.gz LZLOKAQXIVPFKS-SFHVURJKSA-N 1 0 376.563 2.684 20 0 GFADRO Cn1cc(NC(=O)[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)cc(Br)c1=O ZINC000896949888 663582600 /nfs/dbraw/zinc/58/26/00/663582600.db2.gz XVVXPBTZWVWRFN-HOCLYGCPSA-N 1 0 390.281 2.779 20 0 GFADRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)c2nn3c(c2Br)CCC3)C1 ZINC000897102109 663591876 /nfs/dbraw/zinc/59/18/76/663591876.db2.gz ZDMXBYRAWGMEQM-CYBMUJFWSA-N 1 0 383.334 2.690 20 0 GFADRO C[C@@H]1CC[N@H+](CCNC(=O)N2CCCC[C@H]2c2ncc(Br)cn2)C1 ZINC000897473453 663607041 /nfs/dbraw/zinc/60/70/41/663607041.db2.gz ZEUOCMWNGDBBTI-HIFRSBDPSA-N 1 0 396.333 2.818 20 0 GFADRO C[C@@H]1CCC[N@@H+]1CCNC(=O)N1CCCC[C@@H]1c1ncc(Br)cn1 ZINC000897519242 663608298 /nfs/dbraw/zinc/60/82/98/663608298.db2.gz PLDBRVWTXLZAKQ-UKRRQHHQSA-N 1 0 396.333 2.960 20 0 GFADRO CCO[P@@](C)(=O)CC[C@@H](C)[NH2+][C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1OC ZINC000897651640 663614648 /nfs/dbraw/zinc/61/46/48/663614648.db2.gz HZLVRJUYVMOONV-CYYIHGGVSA-N 1 0 378.450 2.933 20 0 GFADRO CC(C)(C)OC(=O)N1CC[C@](O)(C[NH2+]Cc2ccnc(Cl)c2Cl)C1 ZINC000897693388 663615903 /nfs/dbraw/zinc/61/59/03/663615903.db2.gz JNUHNILTKKQVPF-INIZCTEOSA-N 1 0 376.284 2.850 20 0 GFADRO Cn1cc(C[NH2+][C@@H]2CCOC23CCCCC3)c(I)n1 ZINC000897727756 663617345 /nfs/dbraw/zinc/61/73/45/663617345.db2.gz RPLVAWJPLYVZBI-GFCCVEGCSA-N 1 0 375.254 2.606 20 0 GFADRO Cn1cc(C[NH2+][C@H]2CCOC23CCCCC3)c(I)n1 ZINC000897727757 663617383 /nfs/dbraw/zinc/61/73/83/663617383.db2.gz RPLVAWJPLYVZBI-LBPRGKRZSA-N 1 0 375.254 2.606 20 0 GFADRO COc1ccc([C@@H]([NH2+]C(C)C)C(=O)NCCn2cc(Br)cn2)cc1 ZINC000897747626 663618234 /nfs/dbraw/zinc/61/82/34/663618234.db2.gz MAAICRLVISHFKV-MRXNPFEDSA-N 1 0 395.301 2.510 20 0 GFADRO COC(=O)CC(C)(C)C[C@H](C)[NH2+][C@H]1Cc2cc(Br)cnc2NC1=O ZINC000897977988 663628287 /nfs/dbraw/zinc/62/82/87/663628287.db2.gz JQSVRXBFERDUAQ-GWCFXTLKSA-N 1 0 398.301 2.665 20 0 GFADRO COc1nn(C)cc1C[NH2+][C@H](C)CC(=O)Nc1cccc(Br)c1 ZINC000898029611 663630709 /nfs/dbraw/zinc/63/07/09/663630709.db2.gz XWAKBHKGGVYDRA-LLVKDONJSA-N 1 0 381.274 2.698 20 0 GFADRO Cc1c(Br)cccc1CC(=O)N1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000898113947 663634310 /nfs/dbraw/zinc/63/43/10/663634310.db2.gz OPKJYSATYDXJMX-UHFFFAOYSA-N 1 0 395.341 2.653 20 0 GFADRO Cc1cccc(C(=O)N2CCC(CO)([NH2+]CC3CC3)CC2)c1Br ZINC000898114353 663634345 /nfs/dbraw/zinc/63/43/45/663634345.db2.gz FJINZJMVUSIFQD-UHFFFAOYSA-N 1 0 381.314 2.724 20 0 GFADRO O=c1cc(N2CC[C@@H]([NH2+]Cc3cc(Cl)cc(Br)c3)C2)nc[nH]1 ZINC000898150481 663635408 /nfs/dbraw/zinc/63/54/08/663635408.db2.gz XXEFSNPXLLUEFS-CYBMUJFWSA-N 1 0 383.677 2.967 20 0 GFADRO C[NH+](C)CCCC1CCN(C(=O)NCc2ncc(Br)cn2)CC1 ZINC000898393753 663647655 /nfs/dbraw/zinc/64/76/55/663647655.db2.gz UFKHPJCPXWNUHW-UHFFFAOYSA-N 1 0 384.322 2.503 20 0 GFADRO CCOP(=O)(CCC[NH+]1CCC(CN=[S@@](C)(=O)N(C)C)CC1)OCC ZINC000898399498 663648371 /nfs/dbraw/zinc/64/83/71/663648371.db2.gz QVXMSIBXZDRVDC-RUZDIDTESA-N 1 0 397.522 2.929 20 0 GFADRO CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NCc1ncc(Br)cn1 ZINC000898400760 663648741 /nfs/dbraw/zinc/64/87/41/663648741.db2.gz GOYSVHPMGKVRSP-UHFFFAOYSA-N 1 0 392.301 2.642 20 0 GFADRO C[N@@H+]1CC[C@H](N[C@H](CO)c2ccccc2I)CC1(C)C ZINC000898511560 663653608 /nfs/dbraw/zinc/65/36/08/663653608.db2.gz DWGVKGUGYXAQKA-SWLSCSKDSA-N 1 0 388.293 2.787 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)C(=O)NCc1cscc1Cl)c1cccc(F)c1 ZINC000898589371 663657633 /nfs/dbraw/zinc/65/76/33/663657633.db2.gz SDYWTQQRWNCUKP-HNNXBMFYSA-N 1 0 383.876 2.576 20 0 GFADRO O=C(CNC(=O)c1sc2ccccc2c1Cl)N1CC([NH+]2CCCC2)C1 ZINC000898614759 663658068 /nfs/dbraw/zinc/65/80/68/663658068.db2.gz SRKWIARFECQJNN-UHFFFAOYSA-N 1 0 377.897 2.591 20 0 GFADRO O=C(COc1ccccc1Br)NC1CC[NH+](C2CCOCC2)CC1 ZINC000898634445 663658707 /nfs/dbraw/zinc/65/87/07/663658707.db2.gz WKJRBULQHFCHLI-UHFFFAOYSA-N 1 0 397.313 2.588 20 0 GFADRO CC(C)N(C)c1ccc(C[NH2+][C@@H]2CCc3ncc(Br)n3C2)cn1 ZINC000898725196 663661655 /nfs/dbraw/zinc/66/16/55/663661655.db2.gz RVOUKUHZFFEGRU-CQSZACIVSA-N 1 0 378.318 2.990 20 0 GFADRO C[NH+](C)[C@H]1C[C@H](NC(=O)c2c(Br)nc3n2CCCC3)C12CCC2 ZINC000898830244 663665815 /nfs/dbraw/zinc/66/58/15/663665815.db2.gz OBRAFOOURMBSJS-RYUDHWBXSA-N 1 0 381.318 2.585 20 0 GFADRO CC(C)(CNC(=O)Cc1cccc(I)c1)n1ccnc1 ZINC000898905253 663669068 /nfs/dbraw/zinc/66/90/68/663669068.db2.gz VRLQGWDVFFCTPU-UHFFFAOYSA-N 1 0 383.233 2.582 20 0 GFADRO CC[C@H](C)[NH2+][C@@H](CNC(=O)c1cc(=O)n(C)cc1Br)c1ccco1 ZINC000899078700 663674481 /nfs/dbraw/zinc/67/44/81/663674481.db2.gz JNQNHCDHJYQONE-FZMZJTMJSA-N 1 0 396.285 2.600 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(C(=O)COCCc3ccc(Br)cc3)CC[C@H]21 ZINC000899177577 663678667 /nfs/dbraw/zinc/67/86/67/663678667.db2.gz BTTNTWKBIKUMNR-NVXWUHKLSA-N 1 0 381.314 2.561 20 0 GFADRO C[C@@H]1[C@H](C(=O)N[C@@H](c2nccn2C)c2ccc(Br)cc2)CC[N@@H+]1C ZINC000899334040 663683742 /nfs/dbraw/zinc/68/37/42/663683742.db2.gz WLWPCGYDECCRBO-DAXOMENPSA-N 1 0 391.313 2.728 20 0 GFADRO O=c1c2c(ncn1CCCCOc1ccc(Br)cc1)CC[NH2+]CC2 ZINC000899633366 663696725 /nfs/dbraw/zinc/69/67/25/663696725.db2.gz VIHYXBMKPSJWBM-UHFFFAOYSA-N 1 0 392.297 2.553 20 0 GFADRO C[N@H+](CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)C1CCC1 ZINC000899952555 663704214 /nfs/dbraw/zinc/70/42/14/663704214.db2.gz JZKZOKZMHQBKLF-UHFFFAOYSA-N 1 0 385.917 2.547 20 0 GFADRO CN(CC(=O)Nc1ccccc1Br)C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000899957575 663704406 /nfs/dbraw/zinc/70/44/06/663704406.db2.gz WSNCNBIMOSDQFG-CJNGLKHVSA-N 1 0 394.313 2.863 20 0 GFADRO CN(Cc1ccc(Br)o1)C(=O)C1CCC([NH+]2CCOCC2)CC1 ZINC000900187660 663709312 /nfs/dbraw/zinc/70/93/12/663709312.db2.gz IZHYFTGRMFZNAN-UHFFFAOYSA-N 1 0 385.302 2.892 20 0 GFADRO O=C(CN1CSCCSC1)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000900440743 663714547 /nfs/dbraw/zinc/71/45/47/663714547.db2.gz VKGMPQNULKWMGJ-HNNXBMFYSA-N 1 0 385.624 2.773 20 0 GFADRO COc1ccc(I)c(NC(=O)[C@@]23CC[N@H+](C2)CCC3)c1 ZINC000900447983 663714705 /nfs/dbraw/zinc/71/47/05/663714705.db2.gz YLBLTKPFHARQFG-HNNXBMFYSA-N 1 0 386.233 2.724 20 0 GFADRO O=C(NCC1(c2ccc(Br)cc2)CCOCC1)C12CC[NH+](CC1)C2 ZINC000900498960 663715729 /nfs/dbraw/zinc/71/57/29/663715729.db2.gz PLXYESZUZSXXGL-UHFFFAOYSA-N 1 0 393.325 2.709 20 0 GFADRO C[NH+]1CCC(Nc2ccccc2NC(=O)CN2CSCCSC2)CC1 ZINC000900513286 663716095 /nfs/dbraw/zinc/71/60/95/663716095.db2.gz VJKPRKOZGYERPE-UHFFFAOYSA-N 1 0 380.583 2.828 20 0 GFADRO CC(C)[NH+]1CCN(CCC(=O)N[C@H]2CCc3c2cccc3Br)CC1 ZINC000900541143 663716586 /nfs/dbraw/zinc/71/65/86/663716586.db2.gz BFHNDKZFCUMARC-SFHVURJKSA-N 1 0 394.357 2.969 20 0 GFADRO Cc1ccc(Cn2cc(CNC3CC[NH+](C)CC3)nn2)cc1Br ZINC000900570708 663717257 /nfs/dbraw/zinc/71/72/57/663717257.db2.gz VHZMBYBXHFIAQL-UHFFFAOYSA-N 1 0 378.318 2.581 20 0 GFADRO Cc1cc(Cn2cc(C[C@@H]3CC[NH2+]C3)nn2)c(C)cc1I ZINC000900599300 663717776 /nfs/dbraw/zinc/71/77/76/663717776.db2.gz AGILMBBSZGOOED-ZDUSSCGKSA-N 1 0 396.276 2.700 20 0 GFADRO Cc1cc(Cn2cc(C[NH2+]C3CC3)nn2)c(C)cc1I ZINC000900605648 663718009 /nfs/dbraw/zinc/71/80/09/663718009.db2.gz URWBSONEXDNGDI-UHFFFAOYSA-N 1 0 382.249 2.800 20 0 GFADRO CC(C)[NH+]1CCN(CCC(=O)N2CCc3ccc(Br)cc32)CC1 ZINC000900677066 663719612 /nfs/dbraw/zinc/71/96/12/663719612.db2.gz OHQCGHPILDZVGJ-UHFFFAOYSA-N 1 0 380.330 2.754 20 0 GFADRO C[N@@H+]1CCCN(CCCNC(=O)c2ccc(OC(F)F)c(Cl)c2)CC1 ZINC000900701401 663719957 /nfs/dbraw/zinc/71/99/57/663719957.db2.gz WDJKJNLCWCWGOY-UHFFFAOYSA-N 1 0 375.847 2.699 20 0 GFADRO C[C@@H](NC(=O)c1ccnn1CC[NH+](C)C)[C@H](O)c1c(Cl)cccc1Cl ZINC000901136343 663730894 /nfs/dbraw/zinc/73/08/94/663730894.db2.gz CRCFCYKKVLZHSH-BZNIZROVSA-N 1 0 385.295 2.603 20 0 GFADRO C[N@@H+]1C[C@@H](O)C[C@@]1(C)C(=O)NCCc1csc(-c2ccc(Cl)cc2)n1 ZINC000901232843 663732750 /nfs/dbraw/zinc/73/27/50/663732750.db2.gz IAVVVHRQJMKVTJ-YJBOKZPZSA-N 1 0 379.913 2.577 20 0 GFADRO CCc1noc([C@@H]2CC[C@H]([NH2+][C@H](C(N)=O)c3ccc(Br)cc3)C2)n1 ZINC000901617739 663739627 /nfs/dbraw/zinc/73/96/27/663739627.db2.gz CTFIVRZQRPTYJR-ZLDLUXBVSA-N 1 0 393.285 2.847 20 0 GFADRO CCc1noc([C@@H]2CC[C@@H]([NH2+][C@@H](C(N)=O)c3cccc(Br)c3)C2)n1 ZINC000901618333 663739663 /nfs/dbraw/zinc/73/96/63/663739663.db2.gz GLRCYLUGQMMZFZ-UXIGCNINSA-N 1 0 393.285 2.847 20 0 GFADRO CCN(C(=O)[C@@H](C)[NH2+][C@@H]1CCc2ncc(Br)n2C1)c1ccccc1 ZINC000901731266 663744149 /nfs/dbraw/zinc/74/41/49/663744149.db2.gz ZQEHOFDYYIBOIW-ZIAGYGMSSA-N 1 0 391.313 2.992 20 0 GFADRO C[C@@H]([NH2+][C@@H]1CCc2ncc(Br)n2C1)C(=O)Nc1ccc(F)cc1F ZINC000901730918 663744161 /nfs/dbraw/zinc/74/41/61/663744161.db2.gz YOPCCQKYSNDOIA-MWLCHTKSSA-N 1 0 399.239 2.855 20 0 GFADRO CCn1ccnc1[C@H](NCC1([NH3+])CC1)c1ccc(I)cc1 ZINC000902412507 663760878 /nfs/dbraw/zinc/76/08/78/663760878.db2.gz BPBYXLZQDRMBLO-CQSZACIVSA-N 1 0 396.276 2.678 20 0 GFADRO C[C@@H]([NH2+]CCn1cc(Br)ccc1=O)[C@@H]1COc2ccccc2C1 ZINC000903003620 663770733 /nfs/dbraw/zinc/77/07/33/663770733.db2.gz XCXAPXZSWIFMMJ-HIFRSBDPSA-N 1 0 377.282 2.840 20 0 GFADRO C[NH+]1CCN(c2ccccc2NS(=O)(=O)C[C@@]2(C)CC2(Cl)Cl)CC1 ZINC000903085517 663772836 /nfs/dbraw/zinc/77/28/36/663772836.db2.gz XAABZXZXEBEDNC-OAHLLOKOSA-N 1 0 392.352 2.764 20 0 GFADRO C[C@H]([NH2+]CCC(=O)NC(C)(C)C)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000903115636 663774345 /nfs/dbraw/zinc/77/43/45/663774345.db2.gz FORXPKMYYILDSC-NSHDSACASA-N 1 0 380.432 2.936 20 0 GFADRO C[C@H](C[C@H](C)NC(=O)OC(C)(C)C)[NH2+]CC1CCC(S(C)(=O)=O)CC1 ZINC000903154320 663776357 /nfs/dbraw/zinc/77/63/57/663776357.db2.gz LAISXKYSOMCHBN-QVOMUQBLSA-N 1 0 376.563 2.871 20 0 GFADRO CCOC(=O)C(F)(F)[C@H]1CC[C@@H]([NH2+]CC2CCC(S(C)(=O)=O)CC2)C1 ZINC000903155431 663776362 /nfs/dbraw/zinc/77/63/62/663776362.db2.gz XJPZYCFHCTWPKE-RAFNIBEQSA-N 1 0 381.485 2.547 20 0 GFADRO C[C@H]([NH2+]CCN1Cc2ccccc2OCC1=O)c1cncc(Br)c1 ZINC000903181107 663777393 /nfs/dbraw/zinc/77/73/93/663777393.db2.gz MVBNSDOSZBTMTF-ZDUSSCGKSA-N 1 0 390.281 2.916 20 0 GFADRO CC(C)(C)NS(=O)(=O)C1(C[NH2+][C@@H]2CC[C@H]3SCCS[C@H]23)CCC1 ZINC000903189460 663777750 /nfs/dbraw/zinc/77/77/50/663777750.db2.gz XEOPWUFZSMWANJ-MGPQQGTHSA-N 1 0 378.629 2.596 20 0 GFADRO C[C@@H]([NH2+][C@@H](C)c1cccc(S(=O)(=O)C(F)(F)F)c1)[C@@H](O)C(F)(F)F ZINC000903214565 663778843 /nfs/dbraw/zinc/77/88/43/663778843.db2.gz ZSRZQVLNLVDLCS-VAOFZXAKSA-N 1 0 379.322 2.942 20 0 GFADRO C[C@H]([NH2+]C[C@@H]1CCCC[C@H]1NS(C)(=O)=O)c1nc(Br)cs1 ZINC000903233826 663780047 /nfs/dbraw/zinc/78/00/47/663780047.db2.gz JHTGESOTJSJIDJ-GARJFASQSA-N 1 0 396.376 2.664 20 0 GFADRO CCNS(=O)(=O)c1cccc(C[NH2+][C@H](C)c2ccc([S@](C)=O)cc2)c1 ZINC000903234993 663780190 /nfs/dbraw/zinc/78/01/90/663780190.db2.gz UZGDWBYTKMFEAJ-SHACYNPGSA-N 1 0 380.535 2.573 20 0 GFADRO CO[C@@]1(C[NH2+][C@H](CSC)c2ccc(C(F)(F)F)cc2)CCS(=O)(=O)C1 ZINC000903364967 663783012 /nfs/dbraw/zinc/78/30/12/663783012.db2.gz GBYROTSRSRLQFR-HUUCEWRRSA-N 1 0 397.484 2.903 20 0 GFADRO CO[C@]1(C[NH2+][C@H](c2ccc(Br)cc2)C2CC2)CCS(=O)(=O)C1 ZINC000903367093 663783028 /nfs/dbraw/zinc/78/30/28/663783028.db2.gz XGKSTUVZEADHTR-HOTGVXAUSA-N 1 0 388.327 2.694 20 0 GFADRO O=c1cc(N2CC[C@@H]([NH2+][C@@H]3CCc4c3c(Br)ccc4F)C2)nc[nH]1 ZINC000903394456 663783615 /nfs/dbraw/zinc/78/36/15/663783615.db2.gz CXHWOGQYIZBZDY-QMTHXVAHSA-N 1 0 393.260 2.940 20 0 GFADRO Cn1cc(C[C@@H]2CCC[C@H]2[NH2+][C@H]2CCc3ncc(Br)n3C2)cn1 ZINC000903479634 663785367 /nfs/dbraw/zinc/78/53/67/663785367.db2.gz MFMYCIYPSWTDHM-SOUVJXGZSA-N 1 0 378.318 2.695 20 0 GFADRO [NH3+]C[C@H]1CC[C@@H](NS(=O)(=O)Cc2cccc(Cl)c2Br)C1 ZINC000903522626 663787117 /nfs/dbraw/zinc/78/71/17/663787117.db2.gz UUOGOINJTBYMTA-GXSJLCMTSA-N 1 0 381.723 2.649 20 0 GFADRO CC(C)(C[NH3+])C1CCN(S(=O)(=O)c2cc3nc(Cl)ncc3s2)CC1 ZINC000903522656 663787121 /nfs/dbraw/zinc/78/71/21/663787121.db2.gz JFRAJUGNLSFCAV-UHFFFAOYSA-N 1 0 388.946 2.730 20 0 GFADRO O=S(=O)(Cc1cccc(Cl)c1Br)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000903525927 663787403 /nfs/dbraw/zinc/78/74/03/663787403.db2.gz VXLRWSQMJRFPDI-CHWSQXEVSA-N 1 0 393.734 2.759 20 0 GFADRO O=S(=O)(N[C@@H]1C[NH2+]CC2(CCOCC2)C1)c1c(Cl)cc(F)cc1Cl ZINC000903544890 663788039 /nfs/dbraw/zinc/78/80/39/663788039.db2.gz LQHKATAOANACHB-NSHDSACASA-N 1 0 397.299 2.570 20 0 GFADRO Cc1ccc(Cl)c(S(=O)(=O)N[C@@H]2C[NH2+]CC3(CCOCC3)C2)c1Cl ZINC000903545312 663788075 /nfs/dbraw/zinc/78/80/75/663788075.db2.gz LAHHJXWWYGBJFP-LBPRGKRZSA-N 1 0 393.336 2.739 20 0 GFADRO [NH3+][C@@H]1CN(S(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)C[C@H]1C(F)(F)F ZINC000903572765 663789255 /nfs/dbraw/zinc/78/92/55/663789255.db2.gz DKFLJXOFDQWTKR-RKDXNWHRSA-N 1 0 396.740 2.869 20 0 GFADRO Cc1cc(C)c(S(=O)(=O)N[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)s1 ZINC000903574494 663789650 /nfs/dbraw/zinc/78/96/50/663789650.db2.gz SDYXTFROGZVYEK-QAPCUYQASA-N 1 0 378.519 2.899 20 0 GFADRO C[C@]1(CS(=O)(=O)N2C[C@H](C[NH3+])Cc3cc(F)ccc32)CC1(Cl)Cl ZINC000903588583 663790718 /nfs/dbraw/zinc/79/07/18/663790718.db2.gz LEWWJITZPAYPIY-IINYFYTJSA-N 1 0 381.300 2.677 20 0 GFADRO [NH3+]C[C@]12CC[C@H]1CCN2S(=O)(=O)c1cccc(Br)c1Cl ZINC000903590714 663790830 /nfs/dbraw/zinc/79/08/30/663790830.db2.gz YUCFYJJDCMQNGY-TVQRCGJNSA-N 1 0 379.707 2.604 20 0 GFADRO Cc1ccc(OC(=O)COC2CC[NH+](C)CC2)c(I)c1 ZINC000903678167 663802195 /nfs/dbraw/zinc/80/21/95/663802195.db2.gz DBRRIBFKHNCIPE-UHFFFAOYSA-N 1 0 389.233 2.616 20 0 GFADRO Brc1cccc([C@@H]2COCCN2C[C@@H]2CC3(CO2)CC[NH2+]CC3)c1 ZINC000903767295 663806178 /nfs/dbraw/zinc/80/61/78/663806178.db2.gz VLJNCWNNUKPFRH-ROUUACIJSA-N 1 0 395.341 2.981 20 0 GFADRO FC1(F)CC[NH2+]C[C@H]1CNCc1cn(-c2ccc(Cl)cc2Cl)nn1 ZINC000903956100 663813676 /nfs/dbraw/zinc/81/36/76/663813676.db2.gz GWIWBYLMDZIGQR-JTQLQIEISA-N 1 0 376.238 2.909 20 0 GFADRO COc1cc(Br)c(CN[C@@H]2C[NH2+]CC3(CCOCC3)C2)cc1OC ZINC000903974125 663814212 /nfs/dbraw/zinc/81/42/12/663814212.db2.gz MMBKONDRTULIFS-AWEZNQCLSA-N 1 0 399.329 2.715 20 0 GFADRO Brc1cc(Cc2noc([C@H]3[C@@H]4CC[NH2+]C[C@@H]43)n2)cc2c1OCCO2 ZINC000904102926 663824253 /nfs/dbraw/zinc/82/42/53/663824253.db2.gz HWKYDXMLFRIFKA-ZETOZRRWSA-N 1 0 392.253 2.517 20 0 GFADRO N[C@@H](CC1CC1)c1nc(-c2ccc3ncc(I)n3c2)no1 ZINC000904112338 663824750 /nfs/dbraw/zinc/82/47/50/663824750.db2.gz DIFWGLKTPMQEPR-JTQLQIEISA-N 1 0 395.204 2.789 20 0 GFADRO CC1(C)C[NH2+]C[C@H]1c1nc(CC(=O)Nc2ccccc2Br)no1 ZINC000904110579 663824802 /nfs/dbraw/zinc/82/48/02/663824802.db2.gz XZLHLESGLBXRJX-JTQLQIEISA-N 1 0 379.258 2.726 20 0 GFADRO [NH3+]C1CC(Cc2nc(COc3ccc(I)cc3)no2)C1 ZINC000904116880 663825093 /nfs/dbraw/zinc/82/50/93/663825093.db2.gz ORGNJYPMNZWWDH-UHFFFAOYSA-N 1 0 385.205 2.533 20 0 GFADRO Brc1ccc(-c2noc(-c3ccnc(N4CC[NH2+]CC4)c3)n2)o1 ZINC000904112377 663825109 /nfs/dbraw/zinc/82/51/09/663825109.db2.gz FKOPALZMVUECGF-UHFFFAOYSA-N 1 0 376.214 2.564 20 0 GFADRO C[C@H]1CCCN(C(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)[C@H]1CC[NH3+] ZINC000904278376 663829924 /nfs/dbraw/zinc/82/99/24/663829924.db2.gz HSAKZMDHSNCDKD-FZMZJTMJSA-N 1 0 375.441 2.664 20 0 GFADRO [NH3+]C[C@]12CC[C@H]1CCN2C(=O)Nc1cc2c(cc1Br)OCCO2 ZINC000904279345 663829963 /nfs/dbraw/zinc/82/99/63/663829963.db2.gz TXJBVEIPJGWXSJ-MGPLVRAMSA-N 1 0 382.258 2.565 20 0 GFADRO O=C(Nc1cc(F)ccc1Br)N1CC[NH2+]CCC12CCOCC2 ZINC000904373752 663831760 /nfs/dbraw/zinc/83/17/60/663831760.db2.gz VUSNQABCCLMPPK-UHFFFAOYSA-N 1 0 386.265 2.965 20 0 GFADRO Cc1nn(C)c(NC(=O)NCC2([NH3+])CC2)c1-c1ccc(Br)cc1 ZINC000904396433 663832499 /nfs/dbraw/zinc/83/24/99/663832499.db2.gz PHASJNYKAMQFQJ-UHFFFAOYSA-N 1 0 378.274 2.771 20 0 GFADRO O=C(Nc1cnn(-c2ccccc2Br)c1)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000904392998 663832575 /nfs/dbraw/zinc/83/25/75/663832575.db2.gz GHMLUOPZPNGZFY-ZLKJLUDKSA-N 1 0 376.258 2.649 20 0 GFADRO Cc1ccc(I)cc1NC(=O)N1CC[C@H]2CC[C@]21C[NH3+] ZINC000904424691 663833621 /nfs/dbraw/zinc/83/36/21/663833621.db2.gz KDTHEKBPFXSDBC-ABAIWWIYSA-N 1 0 385.249 2.945 20 0 GFADRO O=C(Nc1ccc2nccnc2c1Br)N1CCC[C@@]12CC[NH2+]C2 ZINC000904474513 663835718 /nfs/dbraw/zinc/83/57/18/663835718.db2.gz ZPINMVLVPIWPSV-INIZCTEOSA-N 1 0 376.258 2.752 20 0 GFADRO COCCOc1ccc(NC(=O)N[C@@](C)(C[NH3+])C2CC2)cc1Br ZINC000904550643 663837716 /nfs/dbraw/zinc/83/77/16/663837716.db2.gz HTCZWTIEUMINAO-INIZCTEOSA-N 1 0 386.290 2.723 20 0 GFADRO COc1nc(C)c(Br)cc1-c1noc(C[C@@H]([NH3+])CCSC)n1 ZINC000904709351 663841865 /nfs/dbraw/zinc/84/18/65/663841865.db2.gz WPYSQKUBRHRZDD-VIFPVBQESA-N 1 0 387.303 2.834 20 0 GFADRO O=C(CC[NH2+]C[C@@H](O)CC1(CO)CCCC1)Nc1ccc(Br)cc1 ZINC000905059199 663850993 /nfs/dbraw/zinc/85/09/93/663850993.db2.gz LIDBDVMBTGGTIP-INIZCTEOSA-N 1 0 399.329 2.671 20 0 GFADRO O[C@@H](CCC1(O)CCC1)C[NH2+][C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000905095910 663852807 /nfs/dbraw/zinc/85/28/07/663852807.db2.gz HMZILVMNAWNODQ-RDJZCZTQSA-N 1 0 383.330 2.674 20 0 GFADRO C[C@H](CCCC(F)(F)F)[NH2+]C[C@@H](O)C1(S(=O)(=O)NC(C)(C)C)CCC1 ZINC000905230609 663860796 /nfs/dbraw/zinc/86/07/96/663860796.db2.gz GKKPFPSZIMKLOJ-CHWSQXEVSA-N 1 0 388.496 2.699 20 0 GFADRO CCS(=O)(=O)c1ccc(C[NH2+]C[C@@H](O)CC[C@@H](O)c2ccccc2)s1 ZINC000905241789 663861954 /nfs/dbraw/zinc/86/19/54/663861954.db2.gz GRWRNAMDJNJHKB-DOTOQJQBSA-N 1 0 383.535 2.506 20 0 GFADRO CC[C@H](C[NH2+]C[C@H](O)C1(S(=O)(=O)NC(C)(C)C)CCC1)CC(F)(F)F ZINC000905284291 663863799 /nfs/dbraw/zinc/86/37/99/663863799.db2.gz ASFGEQSZNIRLSN-STQMWFEESA-N 1 0 388.496 2.556 20 0 GFADRO Cc1nc2ccc(Br)cn2c1-c1nc(CC2CC[NH2+]CC2)no1 ZINC000905311024 663865323 /nfs/dbraw/zinc/86/53/23/663865323.db2.gz OPUOHHJASICJAX-UHFFFAOYSA-N 1 0 376.258 2.997 20 0 GFADRO O=S(=O)(CC1CC[NH2+]CC1)N1CCC[C@@H]1c1ccccc1Br ZINC000905342576 663866364 /nfs/dbraw/zinc/86/63/64/663866364.db2.gz JRRVXPHEJKGFMR-MRXNPFEDSA-N 1 0 387.343 2.915 20 0 GFADRO CC[NH+]1CCC(NC(=O)c2nnn(-c3ccccc3Br)c2C)CC1 ZINC000905381935 663868559 /nfs/dbraw/zinc/86/85/59/663868559.db2.gz TVXJKERXHJRDKB-UHFFFAOYSA-N 1 0 392.301 2.552 20 0 GFADRO O=C(NCCC[NH+]1CCCCCC1)c1nscc1I ZINC000905390558 663869267 /nfs/dbraw/zinc/86/92/67/663869267.db2.gz BGIAUQLLYCXGPA-UHFFFAOYSA-N 1 0 393.294 2.744 20 0 GFADRO O=C(CC[NH2+]C[C@H](CO)Cc1ccoc1)Nc1cccc(Br)c1 ZINC000905421268 663870860 /nfs/dbraw/zinc/87/08/60/663870860.db2.gz XGDJQBHJFXGSHL-CQSZACIVSA-N 1 0 381.270 2.812 20 0 GFADRO O=C(CC[NH2+]CC[C@@H]1CCCS1(=O)=O)Nc1cccc(C(F)(F)F)c1 ZINC000905429927 663871159 /nfs/dbraw/zinc/87/11/59/663871159.db2.gz GCJFNJXEJASNPQ-AWEZNQCLSA-N 1 0 378.416 2.591 20 0 GFADRO O[C@@H](C[NH2+]C[C@@H](O)C(F)(F)C(F)(F)F)c1cccc(Br)c1 ZINC000905446898 663871982 /nfs/dbraw/zinc/87/19/82/663871982.db2.gz MFCVERFFPMNBAU-VHSXEESVSA-N 1 0 378.135 2.631 20 0 GFADRO O[C@H](C[NH2+]C[C@@H](O)c1ccccc1Br)C(F)(F)C(F)(F)F ZINC000905447379 663872027 /nfs/dbraw/zinc/87/20/27/663872027.db2.gz QNSCIJZTPFQCIR-NXEZZACHSA-N 1 0 378.135 2.631 20 0 GFADRO Cc1ccc(Cl)c(OC[C@H](O)C[NH2+]Cc2cc(C(F)(F)F)nn2C)c1 ZINC000905570479 663878923 /nfs/dbraw/zinc/87/89/23/663878923.db2.gz XAPNRZMVBUEUFI-GFCCVEGCSA-N 1 0 377.794 2.930 20 0 GFADRO O[C@H](C[NH2+]C[C@H]1CCC2(CCOCC2)O1)c1ccc(F)c(Br)c1 ZINC000905598154 663880344 /nfs/dbraw/zinc/88/03/44/663880344.db2.gz UORPOXLFOJXSSJ-CZUORRHYSA-N 1 0 388.277 2.939 20 0 GFADRO Cc1nc([C@@H]2CC[N@H+](Cn3ccc(=O)c4cccc(Br)c43)C2)no1 ZINC000905682395 663886076 /nfs/dbraw/zinc/88/60/76/663886076.db2.gz HSTMKXCUXGFCPR-GFCCVEGCSA-N 1 0 389.253 2.902 20 0 GFADRO [NH3+]C1CCN(Cc2cn([C@@H]3CCCc4ccc(Br)cc43)nn2)CC1 ZINC000905806333 663892963 /nfs/dbraw/zinc/89/29/63/663892963.db2.gz DGHZAEVNIQKDLD-GOSISDBHSA-N 1 0 390.329 2.889 20 0 GFADRO COC(=O)[C@@H](Cc1ccc(Cl)cc1)NCC1CCC(S(C)(=O)=O)CC1 ZINC000905848127 663896187 /nfs/dbraw/zinc/89/61/87/663896187.db2.gz HXTRCECFLXXNOP-BDVYOWHSSA-N 1 0 387.929 2.617 20 0 GFADRO CC(C)(C)[NH+]1CCC(NC(=O)c2cc(Br)cn(C3CC3)c2=O)CC1 ZINC000906339920 663938759 /nfs/dbraw/zinc/93/87/59/663938759.db2.gz HRJBBAKZYXNPQS-UHFFFAOYSA-N 1 0 396.329 2.938 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)c1ccc(Cn2cc(Br)cn2)s1)C1CC1 ZINC000906338461 663938790 /nfs/dbraw/zinc/93/87/90/663938790.db2.gz KWIKXVKAGYEICR-CQSZACIVSA-N 1 0 397.342 2.825 20 0 GFADRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)c1cnnn1-c1cc(Cl)ccc1Cl ZINC000906360931 663941784 /nfs/dbraw/zinc/94/17/84/663941784.db2.gz AHYAUXVYOUUSND-NSHDSACASA-N 1 0 380.279 2.788 20 0 GFADRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1nscc1I ZINC000906390020 663944379 /nfs/dbraw/zinc/94/43/79/663944379.db2.gz OOKDQSBXXFNPHU-NXEZZACHSA-N 1 0 393.294 2.598 20 0 GFADRO C[C@H](CNC(=O)c1cc(Br)cn(C2CC2)c1=O)[NH+]1CCC(C)CC1 ZINC000906429736 663947133 /nfs/dbraw/zinc/94/71/33/663947133.db2.gz LWEPFHNSYDWIPW-CYBMUJFWSA-N 1 0 396.329 2.796 20 0 GFADRO O=C(c1cc(Br)cn(C2CC2)c1=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000906612088 663960793 /nfs/dbraw/zinc/96/07/93/663960793.db2.gz WBFHLQJLIYLICC-OAHLLOKOSA-N 1 0 394.313 2.646 20 0 GFADRO Cc1cc(C(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)nn1-c1ccccc1Br ZINC000906626952 663961706 /nfs/dbraw/zinc/96/17/06/663961706.db2.gz IFKGDWSWIAZNEY-UONOGXRCSA-N 1 0 389.297 2.625 20 0 GFADRO CC(C)C[C@H](CNC(=O)c1cc(Br)cn(C2CC2)c1=O)[NH+](C)C ZINC000906674102 663964425 /nfs/dbraw/zinc/96/44/25/663964425.db2.gz SATIQPGXEZBENA-CQSZACIVSA-N 1 0 384.318 2.652 20 0 GFADRO C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(Cn2cc(Br)cn2)s1 ZINC000906677514 663964744 /nfs/dbraw/zinc/96/47/44/663964744.db2.gz ZOSQBOWJQWNVOG-GFCCVEGCSA-N 1 0 383.315 2.579 20 0 GFADRO Cc1ccc(NC(=O)c2cn(C)nc2I)c(C[NH+](C)C)c1 ZINC000906696210 663965611 /nfs/dbraw/zinc/96/56/11/663965611.db2.gz YECOJYZAUNSLSO-UHFFFAOYSA-N 1 0 398.248 2.647 20 0 GFADRO CC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H](OC)c2ccc(Br)s2)C1 ZINC000906848349 663976241 /nfs/dbraw/zinc/97/62/41/663976241.db2.gz WLPFMIUUAJNKNQ-RISCZKNCSA-N 1 0 375.332 2.998 20 0 GFADRO Cc1cc(Br)ncc1NC(=O)c1cccn1CCN1CCOCC1 ZINC000906856835 663977201 /nfs/dbraw/zinc/97/72/01/663977201.db2.gz SEPWMOLORSYANC-UHFFFAOYSA-N 1 0 393.285 2.539 20 0 GFADRO O=S(=O)(NCC1([NH+]2CCCC2)CCOCC1)c1cc2ccccc2s1 ZINC000906920313 663982025 /nfs/dbraw/zinc/98/20/25/663982025.db2.gz OPPQRINNRFJOSI-UHFFFAOYSA-N 1 0 380.535 2.825 20 0 GFADRO C[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2c[nH]c3cc(Br)ccc32)C1 ZINC000906932591 663983882 /nfs/dbraw/zinc/98/38/82/663983882.db2.gz FYJPCAOFGYHODE-NSHDSACASA-N 1 0 386.315 2.551 20 0 GFADRO O=S(=O)(NC1CC[NH+](C[C@H]2CCCO2)CC1)c1cc2ccccc2s1 ZINC000906948002 663985336 /nfs/dbraw/zinc/98/53/36/663985336.db2.gz OGPIDXWCRNGGMO-MRXNPFEDSA-N 1 0 380.535 2.823 20 0 GFADRO CCc1cc(C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)ccc1Br ZINC000906998387 663990603 /nfs/dbraw/zinc/99/06/03/663990603.db2.gz OXNAXQJZHVTMRI-MRXNPFEDSA-N 1 0 381.314 2.995 20 0 GFADRO CC[NH+](CC)CCOc1cccc(NC(=O)c2c(Br)nnn2C)c1 ZINC000907087731 664000905 /nfs/dbraw/zinc/00/09/05/664000905.db2.gz AFSQWWJGEFFNHC-UHFFFAOYSA-N 1 0 396.289 2.551 20 0 GFADRO Cc1cc(Br)c(CC(=O)Nc2ccc(=O)n(CC[NH+](C)C)c2)s1 ZINC000907129965 664005074 /nfs/dbraw/zinc/00/50/74/664005074.db2.gz PZEKYJAVFDLPTC-UHFFFAOYSA-N 1 0 398.326 2.724 20 0 GFADRO O=C(C[C@@H](O)C(Cl)(Cl)Cl)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000907212468 664012547 /nfs/dbraw/zinc/01/25/47/664012547.db2.gz SFZGWRVDKFUNHX-CYBMUJFWSA-N 1 0 380.703 2.535 20 0 GFADRO COc1cc(Br)ccc1[C@H](C)NC(=O)c1ccnn1CC[NH+](C)C ZINC000907655739 664050929 /nfs/dbraw/zinc/05/09/29/664050929.db2.gz PVHZOEQEFCGKCM-LBPRGKRZSA-N 1 0 395.301 2.707 20 0 GFADRO CN(Cc1cc(Br)ccc1Cl)C(=O)[C@]1(C)C[C@H](O)C[N@@H+]1C ZINC000907726615 664056032 /nfs/dbraw/zinc/05/60/32/664056032.db2.gz RSIFGWVYOHXAQN-WFASDCNBSA-N 1 0 375.694 2.516 20 0 GFADRO CC(C)[NH+]1CCN(CCC(=O)N[C@H](C)c2nc(C(F)(F)F)cs2)CC1 ZINC000907820998 664063910 /nfs/dbraw/zinc/06/39/10/664063910.db2.gz BDKFLKWESOKMAN-GFCCVEGCSA-N 1 0 378.464 2.755 20 0 GFADRO C[NH+]1CCC2(CCN2S(=O)(=O)/C=C/c2cccc(Br)c2)CC1 ZINC000907852446 664065485 /nfs/dbraw/zinc/06/54/85/664065485.db2.gz BEPMPVACDPUURP-LFYBBSHMSA-N 1 0 385.327 2.920 20 0 GFADRO C[NH+]1CCC2(CCN2S(=O)(=O)/C=C\c2ccccc2Br)CC1 ZINC000907853298 664065854 /nfs/dbraw/zinc/06/58/54/664065854.db2.gz KBMRPHNZYXOISX-MLPAPPSSSA-N 1 0 385.327 2.920 20 0 GFADRO CC[C@@H]1C[N@H+](C)CCCN1C(=O)C(F)(F)c1ncccc1Br ZINC000907931651 664072354 /nfs/dbraw/zinc/07/23/54/664072354.db2.gz VFMLMGXVGAUYBP-LLVKDONJSA-N 1 0 376.245 2.879 20 0 GFADRO CN(CCC[NH+]1CCCC1)C(=O)c1cnnn1-c1ccccc1Br ZINC000907961139 664074210 /nfs/dbraw/zinc/07/42/10/664074210.db2.gz ZHRKKMYTULJCOP-UHFFFAOYSA-N 1 0 392.301 2.588 20 0 GFADRO C[C@H](NC(=O)C[C@@]1(O)CCC[N@H+](C)C1)c1ccc(C(F)(F)F)nc1Cl ZINC000908407272 664104588 /nfs/dbraw/zinc/10/45/88/664104588.db2.gz VFUUWISEQWMTEH-BONVTDFDSA-N 1 0 379.810 2.778 20 0 GFADRO CC(C)[NH2+]C1(CO)CCN(C(=O)c2cc(F)c(F)cc2Br)CC1 ZINC000908600213 664116669 /nfs/dbraw/zinc/11/66/69/664116669.db2.gz YDSMVBPTVLXFJE-UHFFFAOYSA-N 1 0 391.256 2.692 20 0 GFADRO CC(C)(Cc1ccc(Br)cc1)C(=O)NCC[NH+]1CCC(O)CC1 ZINC000909273981 664150889 /nfs/dbraw/zinc/15/08/89/664150889.db2.gz YMOMBCDTKBRBIF-UHFFFAOYSA-N 1 0 383.330 2.591 20 0 GFADRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)c2cnnn2-c2ccccc2Br)C1 ZINC000909438761 664158497 /nfs/dbraw/zinc/15/84/97/664158497.db2.gz LKDXJWYBFBFAJQ-ZDUSSCGKSA-N 1 0 392.301 2.585 20 0 GFADRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(F)(F)c2ncccc2Br)C1 ZINC000909436091 664158534 /nfs/dbraw/zinc/15/85/34/664158534.db2.gz DQJCHVQBFJVYGK-NSHDSACASA-N 1 0 376.245 2.877 20 0 GFADRO CC[N@@H+]1CCCN(C(=O)c2c3ccc(Br)cc3nn2C)[C@H](C)C1 ZINC000910268928 664204104 /nfs/dbraw/zinc/20/41/04/664204104.db2.gz ZDSQCGQJCSYYIA-GFCCVEGCSA-N 1 0 379.302 2.892 20 0 GFADRO C[NH+](C)CCn1nccc1C(=O)Nc1cnc(-c2ccc(Cl)s2)nc1 ZINC000911595126 664249810 /nfs/dbraw/zinc/24/98/10/664249810.db2.gz UCBAVHCNDKCEDJ-UHFFFAOYSA-N 1 0 376.873 2.869 20 0 GFADRO C[NH2+]C[C@@H]1CCCN(C(=O)c2cc3ccc(Br)cc3c(=O)o2)C1 ZINC000911632606 664250999 /nfs/dbraw/zinc/25/09/99/664250999.db2.gz AAGGYHRPOPBHQZ-NSHDSACASA-N 1 0 379.254 2.627 20 0 GFADRO O=C(c1cc(Br)c(Br)[nH]1)N(C1CC1)C1CC[NH2+]CC1 ZINC000911678679 664252394 /nfs/dbraw/zinc/25/23/94/664252394.db2.gz SZBNTCUMMMVFDC-UHFFFAOYSA-N 1 0 391.107 2.896 20 0 GFADRO C[NH2+]CC1CCN(C(=O)c2ccc(Cn3cc(Br)cn3)s2)CC1 ZINC000911776998 664256437 /nfs/dbraw/zinc/25/64/37/664256437.db2.gz GGWYCCYWGMDHOC-UHFFFAOYSA-N 1 0 397.342 2.827 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)c2ccc(Cn3cc(Br)cn3)s2)C1 ZINC000911818678 664257191 /nfs/dbraw/zinc/25/71/91/664257191.db2.gz ARJVUMPPYHOXAH-NWDGAFQWSA-N 1 0 397.342 2.955 20 0 GFADRO C[C@H]1CN(C(=O)c2cnn(Cc3ccccc3)c2Br)CC[C@@H]1[NH3+] ZINC000911824536 664257592 /nfs/dbraw/zinc/25/75/92/664257592.db2.gz OBSDKNGQVZGSSK-WFASDCNBSA-N 1 0 377.286 2.503 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)[C@@H](C)c2ccc(I)cc2)C1 ZINC000911826738 664257594 /nfs/dbraw/zinc/25/75/94/664257594.db2.gz RPXWUPDRUCVBNH-SCRDCRAPSA-N 1 0 386.277 2.981 20 0 GFADRO CCOCC[NH+]1CCN(c2ccc(-c3nnc(Br)o3)cc2)CC1 ZINC000911861949 664259305 /nfs/dbraw/zinc/25/93/05/664259305.db2.gz OUIAEYRWGXBRTE-UHFFFAOYSA-N 1 0 381.274 2.658 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CN(C(=O)c2cc(-c3ccc(Br)cc3)ns2)CCO1 ZINC000911882371 664260515 /nfs/dbraw/zinc/26/05/15/664260515.db2.gz JIIIRWWEBHACED-HZMBPMFUSA-N 1 0 396.310 2.761 20 0 GFADRO C[C@H](C[NH+]1CCN(C)CC1)Nc1ccc(-c2nnc(Br)o2)cc1 ZINC000911882397 664260813 /nfs/dbraw/zinc/26/08/13/664260813.db2.gz JOYIFCJEUVJYGF-GFCCVEGCSA-N 1 0 380.290 2.547 20 0 GFADRO CCN(CC)S(=O)(=O)c1cc(NC(=O)[C@@H]2CC[NH2+][C@H](C)C2)ccc1Cl ZINC000911993929 664265295 /nfs/dbraw/zinc/26/52/95/664265295.db2.gz XHHIVGZCGSCHHJ-CHWSQXEVSA-N 1 0 387.933 2.697 20 0 GFADRO C[C@@H](NC(=O)[C@H]1CCCN(CC[NH3+])C1=O)c1cc(F)c(Cl)cc1Cl ZINC000912055697 664268691 /nfs/dbraw/zinc/26/86/91/664268691.db2.gz DXIXRGRMFZXBQZ-NXEZZACHSA-N 1 0 376.259 2.507 20 0 GFADRO [NH3+]CCn1cc(Br)cc(C(=O)N2CCC[C@@H]2c2ccccc2)c1=O ZINC000912170209 664273591 /nfs/dbraw/zinc/27/35/91/664273591.db2.gz CNHPHGGEIIGPPR-MRXNPFEDSA-N 1 0 390.281 2.547 20 0 GFADRO C[NH+](C)CCOc1ccc(C=CC(=O)Nc2c[nH]nc2Br)cc1 ZINC000912191238 664275207 /nfs/dbraw/zinc/27/52/07/664275207.db2.gz QBWXDFFWPZPINB-VMPITWQZSA-N 1 0 379.258 2.765 20 0 GFADRO CC(C)[C@@H]([NH3+])C(=O)NCCC(=O)Nc1ccccc1SCC(F)(F)F ZINC000912195042 664275551 /nfs/dbraw/zinc/27/55/51/664275551.db2.gz XLZUIMYIDSRWJT-CQSZACIVSA-N 1 0 377.432 2.769 20 0 GFADRO O=C(NC[C@H](O)c1ccccc1Cl)c1cnc(CC2CC[NH2+]CC2)s1 ZINC000912364054 664283387 /nfs/dbraw/zinc/28/33/87/664283387.db2.gz FXMPDYDSEOXOCG-HNNXBMFYSA-N 1 0 379.913 2.802 20 0 GFADRO C[C@]1(NC(=O)c2cc(=O)c3cc(Br)ccc3[nH]2)C[NH+]2CCC1CC2 ZINC000912377867 664284138 /nfs/dbraw/zinc/28/41/38/664284138.db2.gz GHVHOJGQAJGCSN-SFHVURJKSA-N 1 0 390.281 2.505 20 0 GFADRO CC(C)[C@H]([NH3+])C(=O)NCCC(=O)N1CCC[C@@H]1c1cccc(Br)c1 ZINC000912465031 664288566 /nfs/dbraw/zinc/28/85/66/664288566.db2.gz YZHAFQVNXSGVMW-WBVHZDCISA-N 1 0 396.329 2.602 20 0 GFADRO Cc1cccc(Br)c1C(=O)N1CCC(CO)([NH2+]CC(C)C)CC1 ZINC000912588461 664294182 /nfs/dbraw/zinc/29/41/82/664294182.db2.gz HCUGQDPVVLCBPJ-UHFFFAOYSA-N 1 0 383.330 2.970 20 0 GFADRO Cn1ccnc1[C@H](NC(=O)C[N@H+](C)C1CCC1)c1ccc(Br)cc1 ZINC000912678553 664296802 /nfs/dbraw/zinc/29/68/02/664296802.db2.gz KGRJABDKEKBNCD-QGZVFWFLSA-N 1 0 391.313 2.873 20 0 GFADRO C[C@@H](C[NH+](C)C)[C@@H]1CCCCN1C(=O)Cc1cc[nH]c(=O)c1Br ZINC000912808038 664303400 /nfs/dbraw/zinc/30/34/00/664303400.db2.gz SWCKZPORGZGDDZ-JSGCOSHPSA-N 1 0 384.318 2.671 20 0 GFADRO O=C(c1ccn(-c2ccc(Br)cc2)n1)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000912908085 664309295 /nfs/dbraw/zinc/30/92/95/664309295.db2.gz RIEJDCGYNAVHTH-OAHLLOKOSA-N 1 0 375.270 2.555 20 0 GFADRO Cc1cc(C(=O)N2CC[C@H]([NH+]3CCC3)C2)nn1-c1ccc(Br)cc1 ZINC000912916608 664309872 /nfs/dbraw/zinc/30/98/72/664309872.db2.gz ZJJUEWXTYBUDBW-INIZCTEOSA-N 1 0 389.297 2.863 20 0 GFADRO O=C(N1CC[C@@H]([NH+]2CCC2)C1)C1(c2ccc(Br)cc2)CCOCC1 ZINC000912918149 664310266 /nfs/dbraw/zinc/31/02/66/664310266.db2.gz VZTHQXJHVXUACO-QGZVFWFLSA-N 1 0 393.325 2.804 20 0 GFADRO CCOc1c(Br)cc(C(=O)N2CC[C@H]([NH+]3CCC3)C2)cc1OC ZINC000912925649 664310626 /nfs/dbraw/zinc/31/06/26/664310626.db2.gz OOUAWJMIAIHFLO-ZDUSSCGKSA-N 1 0 383.286 2.777 20 0 GFADRO CN(Cc1ccc(C[NH+](C)C)cc1)S(=O)(=O)c1occc1Br ZINC000914027549 664372662 /nfs/dbraw/zinc/37/26/62/664372662.db2.gz NMOKLABMAVQCAX-UHFFFAOYSA-N 1 0 387.299 2.924 20 0 GFADRO O=S(=O)(Cc1ccsc1Br)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000914169345 664381309 /nfs/dbraw/zinc/38/13/09/664381309.db2.gz RDSCCNGSDTTXQU-GFCCVEGCSA-N 1 0 393.372 2.758 20 0 GFADRO CC(C)C[C@H](C[NH+](C)C)NC(=O)NC1(c2ncc(Br)cn2)CCC1 ZINC000914183378 664383853 /nfs/dbraw/zinc/38/38/53/664383853.db2.gz SVRLTNLPRJFPFT-CQSZACIVSA-N 1 0 398.349 2.894 20 0 GFADRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2S(=O)(=O)Cc2ccsc2Br)C1 ZINC000914268209 664392702 /nfs/dbraw/zinc/39/27/02/664392702.db2.gz UUWXVUUQANSNHO-DGCLKSJQSA-N 1 0 393.372 2.757 20 0 GFADRO O=C(Nc1cc2c(cc1Br)OCCO2)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000915679895 664437240 /nfs/dbraw/zinc/43/72/40/664437240.db2.gz MVSUAIBJYARTLR-NWDGAFQWSA-N 1 0 396.285 2.969 20 0 GFADRO CC(C)[NH2+]C1(CO)CCN(S(=O)(=O)c2ccc(Cl)c(F)c2Cl)CC1 ZINC000917546154 664485994 /nfs/dbraw/zinc/48/59/94/664485994.db2.gz ZLSCVKZYLGTHPO-UHFFFAOYSA-N 1 0 399.315 2.646 20 0 GFADRO C[C@H](CNC(=O)C(=O)Nc1ccc(F)cc1Br)[NH+]1CCCCC1 ZINC000918465513 664499392 /nfs/dbraw/zinc/49/93/92/664499392.db2.gz OXLVIIBQVMHVPX-LLVKDONJSA-N 1 0 386.265 2.517 20 0 GFADRO C[NH+]1CCC2(CCN(S(=O)(=O)c3occc3Br)CC2)CC1 ZINC000918783390 664504814 /nfs/dbraw/zinc/50/48/14/664504814.db2.gz DRAPTJBQSPPZKL-UHFFFAOYSA-N 1 0 377.304 2.539 20 0 GFADRO CC1([NH+]2CCC2)CCN(S(=O)(=O)Cc2ccsc2Br)CC1 ZINC000919774975 664517988 /nfs/dbraw/zinc/51/79/88/664517988.db2.gz SDTIFNUUHJFOHL-UHFFFAOYSA-N 1 0 393.372 2.901 20 0 GFADRO C[NH+](C)CC[C@H](NS(=O)(=O)Cc1ccc(F)cc1Cl)c1cccnc1 ZINC000921478589 664549845 /nfs/dbraw/zinc/54/98/45/664549845.db2.gz NMDPHOBJOYPZOT-KRWDZBQOSA-N 1 0 385.892 2.987 20 0 GFADRO C[NH+](C)CC[C@H](NS(=O)(=O)C[C@H]1CCCCC1(F)F)c1cccnc1 ZINC000921480026 664550033 /nfs/dbraw/zinc/55/00/33/664550033.db2.gz XZUCUYGCDKSIIW-CVEARBPZSA-N 1 0 375.485 2.819 20 0 GFADRO CCn1c(C[NH2+]C[C@H]2CCCOC2)nc(Br)c1Br ZINC000921575115 664554563 /nfs/dbraw/zinc/55/45/63/664554563.db2.gz OWUCRMHNZHAJGT-SECBINFHSA-N 1 0 381.112 2.944 20 0 GFADRO CC1([NH+]2CCC2)CCC(NS(=O)(=O)c2cnccc2C(F)(F)F)CC1 ZINC000921720894 664564380 /nfs/dbraw/zinc/56/43/80/664564380.db2.gz BODNIXGQTBQXHI-UHFFFAOYSA-N 1 0 377.432 2.786 20 0 GFADRO CC[C@@H](CCO)C[NH2+]Cc1nc(Br)c(Br)n1CC ZINC000921830693 664571200 /nfs/dbraw/zinc/57/12/00/664571200.db2.gz PGNVDIAZSASEPW-VIFPVBQESA-N 1 0 383.128 2.926 20 0 GFADRO CN(C)C(=O)[C@H]1CC[C@@H](C[NH2+]Cc2cc3c(cc(F)cc3Br)[nH]2)O1 ZINC000921966426 664579424 /nfs/dbraw/zinc/57/94/24/664579424.db2.gz GLFFAKXMRKXSMF-BLLLJJGKSA-N 1 0 398.276 2.795 20 0 GFADRO C[NH+](C)C1(CNC(=O)N2CCCC[C@@H]2c2ncc(Br)cn2)CCC1 ZINC000922117520 664586671 /nfs/dbraw/zinc/58/66/71/664586671.db2.gz MOGOCKLBHGQJCU-CQSZACIVSA-N 1 0 396.333 2.960 20 0 GFADRO CC1([NH+]2CCC2)CCN(C(=O)c2cccn3ncc(Br)c23)CC1 ZINC000922168497 664588610 /nfs/dbraw/zinc/58/86/10/664588610.db2.gz SQCMCWVXOVVAIB-UHFFFAOYSA-N 1 0 377.286 2.797 20 0 GFADRO CC(C)(C)OC(=O)NC[C@@H]1CC[C@H]([NH2+]C[C@H](O)C(F)(F)C(F)(F)F)C1 ZINC000922336649 664595318 /nfs/dbraw/zinc/59/53/18/664595318.db2.gz BBDQQYHNAHVQIK-VWYCJHECSA-N 1 0 376.366 2.828 20 0 GFADRO Cn1nccc1[C@@H]1[C@@H]([NH2+]Cc2cc(F)ccc2Br)CCC(=O)N1C ZINC000922405658 664600095 /nfs/dbraw/zinc/60/00/95/664600095.db2.gz XJZPHSXIURSASE-YOEHRIQHSA-N 1 0 395.276 2.773 20 0 GFADRO CC(C)(C)NS(=O)(=O)C1(C[NH2+]Cc2cncc(Br)c2)CCC1 ZINC000922472273 664603216 /nfs/dbraw/zinc/60/32/16/664603216.db2.gz HLVZONJCSDJIDN-UHFFFAOYSA-N 1 0 390.347 2.574 20 0 GFADRO CS(C)(=O)=NS(=O)(=O)CC[NH2+]Cc1ccc(-c2ccc(F)cc2)s1 ZINC000922492137 664603709 /nfs/dbraw/zinc/60/37/09/664603709.db2.gz IRQHWNLVUDTWNE-UHFFFAOYSA-N 1 0 390.527 2.701 20 0 GFADRO CN1C[C@H](CC[NH2+]Cc2nc(-c3cccc(Br)c3)c[nH]2)CC1=O ZINC000922489589 664603746 /nfs/dbraw/zinc/60/37/46/664603746.db2.gz QDKJRSJIMDNZLH-GFCCVEGCSA-N 1 0 377.286 2.797 20 0 GFADRO Nc1nc(Br)ccc1COC(=O)CC1([NH+]2CCOCC2)CCCC1 ZINC000922667962 664610279 /nfs/dbraw/zinc/61/02/79/664610279.db2.gz VXTNDVFUONXVFJ-UHFFFAOYSA-N 1 0 398.301 2.505 20 0 GFADRO COc1ncc(Br)cc1C[NH2+]CCc1ccccc1S(C)(=O)=O ZINC000922682662 664610588 /nfs/dbraw/zinc/61/05/88/664610588.db2.gz IJCKAOIXMSYPCI-UHFFFAOYSA-N 1 0 399.310 2.589 20 0 GFADRO Cc1c(Br)cccc1CC[NH2+]Cc1cn(C[C@@H]2CCCO2)nn1 ZINC000922683900 664610833 /nfs/dbraw/zinc/61/08/33/664610833.db2.gz NDBBACWZRJMTQF-INIZCTEOSA-N 1 0 379.302 2.860 20 0 GFADRO Brc1ccccc1-n1cc(C[NH2+]C[C@@H]2C=C[C@H]3C[C@@H]2CO3)nn1 ZINC000922719216 664611997 /nfs/dbraw/zinc/61/19/97/664611997.db2.gz CBWRJNJHKDGFPH-GUTXKFCHSA-N 1 0 375.270 2.711 20 0 GFADRO COc1nsc(C[NH2+]C[C@H]2CCC3(CCOCC3)O2)c1Br ZINC000922807088 664615133 /nfs/dbraw/zinc/61/51/33/664615133.db2.gz AEXJHTKHYCUYAE-SNVBAGLBSA-N 1 0 377.304 2.732 20 0 GFADRO Brc1cc2c(cc1C[NH2+]C[C@H]1CCC3(CCOCC3)O1)OCO2 ZINC000922813734 664615269 /nfs/dbraw/zinc/61/52/69/664615269.db2.gz XKFIQKZSGYIDAZ-CYBMUJFWSA-N 1 0 384.270 2.996 20 0 GFADRO O=C(c1cc(Br)ccc1O)N1CCC([NH2+]C2CCOCC2)CC1 ZINC000922854506 664616714 /nfs/dbraw/zinc/61/67/14/664616714.db2.gz ANFCZFXJQMNDNO-UHFFFAOYSA-N 1 0 383.286 2.528 20 0 GFADRO O=C(Cc1cc(Br)ccc1F)N1CCC([NH2+]C2CCOCC2)CC1 ZINC000922874567 664617260 /nfs/dbraw/zinc/61/72/60/664617260.db2.gz BCVTZKKGINYRPN-UHFFFAOYSA-N 1 0 399.304 2.890 20 0 GFADRO Brc1cc(C[NH2+]C[C@@H]2CCN2C2CCOCC2)cc2c1OCCO2 ZINC000922950727 664619795 /nfs/dbraw/zinc/61/97/95/664619795.db2.gz PAXGNPOZWDNDEI-HNNXBMFYSA-N 1 0 397.313 2.563 20 0 GFADRO Brc1ccc2oc(CNC[C@@H]3CC[N@@H+]3C3CCOCC3)nc2c1 ZINC000922953031 664619809 /nfs/dbraw/zinc/61/98/09/664619809.db2.gz NYXVKPAVEXNVRU-AWEZNQCLSA-N 1 0 380.286 2.933 20 0 GFADRO Cn1nccc1[C@H](O)C[NH2+]Cc1ccc(Br)c(Br)c1 ZINC000922975094 664620489 /nfs/dbraw/zinc/62/04/89/664620489.db2.gz VROSYJDUERURHW-CYBMUJFWSA-N 1 0 389.091 2.768 20 0 GFADRO Cc1cc(C[NH2+][C@H]2CCc3nnn(C)c3C2)c(C)cc1I ZINC000922992803 664620563 /nfs/dbraw/zinc/62/05/63/664620563.db2.gz SAPLLDXPGSXFTR-ZDUSSCGKSA-N 1 0 396.276 2.684 20 0 GFADRO CNc1cc(I)ccc1C(=O)N1[C@@H]2CC[C@H]1C[N@H+](C)CC2 ZINC000923263363 664626903 /nfs/dbraw/zinc/62/69/03/664626903.db2.gz LWPUMIOXUYGKSH-OLZOCXBDSA-N 1 0 399.276 2.642 20 0 GFADRO Clc1ccc(CN2CC[NH2+]CCN(Cc3ccc(Cl)cn3)CC2)nc1 ZINC000923393949 664629517 /nfs/dbraw/zinc/62/95/17/664629517.db2.gz BWADYPUMQYQNTF-UHFFFAOYSA-N 1 0 380.323 2.691 20 0 GFADRO Clc1ccc(CN2CC[NH2+]CCN(Cc3ccc(Cl)nc3)CC2)cn1 ZINC000923397149 664629686 /nfs/dbraw/zinc/62/96/86/664629686.db2.gz ZETKJNSCJXKBEQ-UHFFFAOYSA-N 1 0 380.323 2.691 20 0 GFADRO COC(=O)c1cc(Br)c(CN2CCC[C@@H]3[NH2+]CC[C@@H]32)cc1OC ZINC000923415577 664630150 /nfs/dbraw/zinc/63/01/50/664630150.db2.gz GRRAYNAIWNLMKZ-GJZGRUSLSA-N 1 0 383.286 2.571 20 0 GFADRO CN(Cc1cc(Br)cs1)C(=O)CN1CC[C@]2(C1)CCCC[NH2+]2 ZINC000923534901 664633116 /nfs/dbraw/zinc/63/31/16/664633116.db2.gz SHDKCWMGYAZXDK-INIZCTEOSA-N 1 0 386.359 2.687 20 0 GFADRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2cnc(-c3ccccc3)s2)C[C@@H]1C(F)(F)F ZINC000923673032 664635336 /nfs/dbraw/zinc/63/53/36/664635336.db2.gz YYDVWUBJLJJVJW-NEPJUHHUSA-N 1 0 391.440 2.568 20 0 GFADRO C[C@H]1CN(S(=O)(=O)c2ccc(Br)cc2Cl)CC[C@H]1C[NH3+] ZINC000923699911 664636327 /nfs/dbraw/zinc/63/63/27/664636327.db2.gz QCULTJGWQGVFHT-UWVGGRQHSA-N 1 0 381.723 2.708 20 0 GFADRO C[C@@H]1CN(S(=O)(=O)c2c(Cl)cccc2Br)CC[C@H]1C[NH3+] ZINC000923703494 664636417 /nfs/dbraw/zinc/63/64/17/664636417.db2.gz PVVCBWMMIRYKGD-ZJUUUORDSA-N 1 0 381.723 2.708 20 0 GFADRO C[C@H]1CN(S(=O)(=O)c2oc3ccccc3c2Br)CC[C@H]1C[NH3+] ZINC000923702436 664636435 /nfs/dbraw/zinc/63/64/35/664636435.db2.gz OSQJUGRQEXIWBZ-QWRGUYRKSA-N 1 0 387.299 2.801 20 0 GFADRO Cc1cc(Br)c(S(=O)(=O)N2CC[C@@]3(C2)CCCC[NH2+]3)s1 ZINC000923734724 664637238 /nfs/dbraw/zinc/63/72/38/664637238.db2.gz DJXLFUAXQQZHPR-CYBMUJFWSA-N 1 0 379.345 2.726 20 0 GFADRO C[C@]1(CS(=O)(=O)N2C[C@H](CC[NH3+])Cc3ccccc32)CC1(Cl)Cl ZINC000923750804 664637678 /nfs/dbraw/zinc/63/76/78/664637678.db2.gz UXZWOKZLDVKZAW-IUODEOHRSA-N 1 0 377.337 2.928 20 0 GFADRO C[NH+](C)CC1(c2nc(Cc3cc(Br)c4c(c3)OCCO4)no2)CC1 ZINC000923863790 664638775 /nfs/dbraw/zinc/63/87/75/664638775.db2.gz KEFLIEDQUOBQHS-UHFFFAOYSA-N 1 0 394.269 2.787 20 0 GFADRO CCC1([NH+]2CCC2)CCN(C(=O)c2c(C)c(Br)c[nH]c2=O)CC1 ZINC000924374075 664654157 /nfs/dbraw/zinc/65/41/57/664654157.db2.gz SQKUKCVGIMVQFU-UHFFFAOYSA-N 1 0 382.302 2.949 20 0 GFADRO CSC[C@H]1NC(=O)N(CC2CC[NH+](Cc3ccccc3Cl)CC2)C1=O ZINC000924605832 664658796 /nfs/dbraw/zinc/65/87/96/664658796.db2.gz IBJSXONYXUDCLL-MRXNPFEDSA-N 1 0 381.929 2.835 20 0 GFADRO CCN(CC)[C@H](C[NH2+][C@@H](C)C1CCN(S(C)(=O)=O)CC1)c1ccsc1 ZINC000924658301 664659213 /nfs/dbraw/zinc/65/92/13/664659213.db2.gz KPBNVFNQASQQCT-MAUKXSAKSA-N 1 0 387.615 2.781 20 0 GFADRO CN(C)c1cc[nH+]c(CNC(=O)NC[C@H](O)c2cc(Cl)cc(Cl)c2)c1 ZINC000924662864 664659355 /nfs/dbraw/zinc/65/93/55/664659355.db2.gz RSASUIDBXTUHCJ-INIZCTEOSA-N 1 0 383.279 2.987 20 0 GFADRO C[C@@H]([NH2+]CCc1ccccc1C(F)(F)F)C1CCN(S(C)(=O)=O)CC1 ZINC000924743493 664660706 /nfs/dbraw/zinc/66/07/06/664660706.db2.gz QOXCKPNKDHSWIA-CYBMUJFWSA-N 1 0 378.460 2.898 20 0 GFADRO O=S(=O)(Cc1ccccc1)NCC[NH2+][C@H]1CCCc2c(Cl)ccnc21 ZINC000924742556 664660723 /nfs/dbraw/zinc/66/07/23/664660723.db2.gz KFWZGYKAZLJFEB-KRWDZBQOSA-N 1 0 379.913 2.822 20 0 GFADRO COc1cc([C@@H](C)[NH2+]CCCNC(=O)c2ccc(Br)cc2)on1 ZINC000924907884 664663917 /nfs/dbraw/zinc/66/39/17/664663917.db2.gz OTKMEKUJJCKNQM-LLVKDONJSA-N 1 0 382.258 2.916 20 0 GFADRO C[C@H]([NH2+]C1CCN(CCS(C)(=O)=O)CC1)c1csc(C(F)(F)F)c1 ZINC000925020313 664665347 /nfs/dbraw/zinc/66/53/47/664665347.db2.gz VTGSFBDYLITTMI-NSHDSACASA-N 1 0 384.489 2.927 20 0 GFADRO C[C@@H]([NH2+]Cc1ccc(Br)cc1F)C1CCN(S(C)(=O)=O)CC1 ZINC000925027516 664665483 /nfs/dbraw/zinc/66/54/83/664665483.db2.gz IIZYKLOXLDASNI-LLVKDONJSA-N 1 0 393.322 2.738 20 0 GFADRO C[C@@H]([NH2+]CCc1ccc(S(=O)(=O)N2CCCCC2)s1)c1ccnnc1 ZINC000925160352 664667697 /nfs/dbraw/zinc/66/76/97/664667697.db2.gz BTXUDPTVKLGFHO-CQSZACIVSA-N 1 0 380.539 2.606 20 0 GFADRO CC[N@@H+]1CCC[C@H](N2C(=O)[C@H](c3ccc(Br)s3)N(C)C2=O)C1 ZINC000925298781 664670172 /nfs/dbraw/zinc/67/01/72/664670172.db2.gz PSMWFLUYMXQVAZ-GWCFXTLKSA-N 1 0 386.315 2.930 20 0 GFADRO COCCN(Cc1cc(Br)cs1)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1C ZINC000925331130 664670523 /nfs/dbraw/zinc/67/05/23/664670523.db2.gz CJTUQPNJSPWTGO-SMDDNHRTSA-N 1 0 390.347 2.761 20 0 GFADRO C[C@@H]1[C@@H](NC(=O)N2CCCC[C@@H]2c2ncc(Br)cn2)CC[N@@H+]1C ZINC000925348630 664670679 /nfs/dbraw/zinc/67/06/79/664670679.db2.gz QDGFPIGHCZCYQZ-KWCYVHTRSA-N 1 0 382.306 2.568 20 0 GFADRO O=C1N[C@@H](c2ccccc2Br)C(=O)N1CC1CC[NH+](C2CC2)CC1 ZINC000925386529 664671569 /nfs/dbraw/zinc/67/15/69/664671569.db2.gz XTQOXTQBDCHRPY-INIZCTEOSA-N 1 0 392.297 2.916 20 0 GFADRO CS(=O)(=O)c1cc(CN[C@@H]2CC[NH2+]C23CCCC3)cc(C(F)(F)F)c1 ZINC000925668713 664673866 /nfs/dbraw/zinc/67/38/66/664673866.db2.gz YNHFNKMJSXDOFF-OAHLLOKOSA-N 1 0 376.444 2.873 20 0 GFADRO O=S1(=O)CCNC[C@H]1CC[NH2+][C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000925791380 664674883 /nfs/dbraw/zinc/67/48/83/664674883.db2.gz GDZGNBRYHUOZQG-MOPGFXCFSA-N 1 0 378.925 2.796 20 0 GFADRO [NH3+][C@@H]1CN(C(=O)Nc2cc3c(cc2Cl)OCCO3)CC[C@H]1C(F)(F)F ZINC000925930495 664677616 /nfs/dbraw/zinc/67/76/16/664677616.db2.gz UVSSGHWWXSYLRF-PSASIEDQSA-N 1 0 379.766 2.855 20 0 GFADRO [NH3+]CC[C@@H]1CCN(C(=O)Nc2cc(F)c(I)c(F)c2)C1 ZINC000925992558 664678795 /nfs/dbraw/zinc/67/87/95/664678795.db2.gz JAPQIUMQPBZIQF-MRVPVSSYSA-N 1 0 395.191 2.772 20 0 GFADRO COc1ccc(I)c(NC(=O)N2CC[C@@H](CC[NH3+])C2)c1 ZINC000925994951 664678849 /nfs/dbraw/zinc/67/88/49/664678849.db2.gz WAGOAVWXCDVYNX-SNVBAGLBSA-N 1 0 389.237 2.502 20 0 GFADRO [NH3+]CC[C@H]1CCN(C(=O)Nc2cc(F)c(F)cc2I)C1 ZINC000926047351 664679953 /nfs/dbraw/zinc/67/99/53/664679953.db2.gz UOIRUWFXRDOZDA-QMMMGPOBSA-N 1 0 395.191 2.772 20 0 GFADRO [NH3+][C@@H]1CC[C@H](CNC(=O)Nc2ccc(F)cc2I)C1 ZINC000926054126 664680054 /nfs/dbraw/zinc/68/00/54/664680054.db2.gz JRSIQFHRPZAEAM-WCBMZHEXSA-N 1 0 377.201 2.679 20 0 GFADRO COc1cc(Br)cc(NC(=O)N2CCC3(CO[C@H](C[NH3+])C3)CC2)c1 ZINC000926082857 664681271 /nfs/dbraw/zinc/68/12/71/664681271.db2.gz CMYWJGIRRMFTLB-HNNXBMFYSA-N 1 0 398.301 2.819 20 0 GFADRO COCCOc1c(Cl)cc(NC(=O)NC[C@@H]2C[NH2+]C[C@H]2C)cc1Cl ZINC000926082214 664681316 /nfs/dbraw/zinc/68/13/16/664681316.db2.gz FYWIPBOBNBEOES-MNOVXSKESA-N 1 0 376.284 2.996 20 0 GFADRO [NH3+]C1CCN(CCNC(=O)Nc2ccc(Cl)cc2OCC(F)F)CC1 ZINC000926121335 664682258 /nfs/dbraw/zinc/68/22/58/664682258.db2.gz QJSOKRYYZYFRGB-UHFFFAOYSA-N 1 0 376.835 2.529 20 0 GFADRO Cc1oc(Br)cc1C(=O)N[C@@H]1C[C@]2(C[N@@H+](C)[C@@H]2C(C)C)C[C@H]1O ZINC000926145069 664682975 /nfs/dbraw/zinc/68/29/75/664682975.db2.gz RHHBUVRREZPOEX-GKLJAUDBSA-N 1 0 385.302 2.560 20 0 GFADRO Cc1cc(C(=O)N[C@@H]2C[C@@]3(C[N@@H+](C)[C@@H]3C(C)C)C[C@H]2O)ccc1Br ZINC000926164414 664683408 /nfs/dbraw/zinc/68/34/08/664683408.db2.gz LYGUDHARZHPLMF-MTNOOBJLSA-N 1 0 395.341 2.967 20 0 GFADRO Cc1cc(C[NH2+][C@@H](C)c2ccc(S(=O)(=O)CC(N)=O)cc2)ccc1Cl ZINC000926160593 664683415 /nfs/dbraw/zinc/68/34/15/664683415.db2.gz PURVHLOKLFDBRE-ZDUSSCGKSA-N 1 0 380.897 2.758 20 0 GFADRO C[C@@H]([NH2+][C@@H]1CCCc2sccc21)c1ccc(S(=O)(=O)CC(N)=O)cc1 ZINC000926187719 664684516 /nfs/dbraw/zinc/68/45/16/664684516.db2.gz CYWCRNCXHABLRW-MLGOLLRUSA-N 1 0 378.519 2.735 20 0 GFADRO CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)c1ccc(F)cc1Br)C2 ZINC000926187298 664684522 /nfs/dbraw/zinc/68/45/22/664684522.db2.gz DDCNGNWLXYUCDV-CBZIJGRNSA-N 1 0 399.304 2.798 20 0 GFADRO C[C@H]([NH2+]C[C@@H](c1ccccc1)C(F)(F)F)C1CCN(S(C)(=O)=O)CC1 ZINC000926216520 664684826 /nfs/dbraw/zinc/68/48/26/664684826.db2.gz KBSPCSKOYLIYOQ-BBRMVZONSA-N 1 0 378.460 2.982 20 0 GFADRO O=C(Nc1ccc(I)c(Cl)c1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000926221138 664684912 /nfs/dbraw/zinc/68/49/12/664684912.db2.gz ZYVUTNLWJCQSTH-DTORHVGOSA-N 1 0 391.640 2.628 20 0 GFADRO CN(CC[NH2+][C@H]1CCc2c1nccc2Cl)S(=O)(=O)c1ccc(F)cc1 ZINC000926343270 664687962 /nfs/dbraw/zinc/68/79/62/664687962.db2.gz PKXWFPPVSJAYLM-INIZCTEOSA-N 1 0 383.876 2.772 20 0 GFADRO Cc1noc(C)c1[C@H](C)[NH2+]CCNS(=O)(=O)c1ccc(F)cc1Cl ZINC000926370004 664688979 /nfs/dbraw/zinc/68/89/79/664688979.db2.gz MORSQQQSXRPBHF-VIFPVBQESA-N 1 0 375.853 2.713 20 0 GFADRO C[C@H](C[C@H]1CCC(=O)N1)[NH2+]Cc1c(Br)cncc1Br ZINC000926499717 664690820 /nfs/dbraw/zinc/69/08/20/664690820.db2.gz AVQUGXKPVQTFQP-RKDXNWHRSA-N 1 0 391.107 2.753 20 0 GFADRO COC[C@@H](C[NH2+][C@H](C)C1CCN(S(C)(=O)=O)CC1)c1ccc(Cl)cc1 ZINC000926520558 664691402 /nfs/dbraw/zinc/69/14/02/664691402.db2.gz RJDFWYKVHKIILU-RHSMWYFYSA-N 1 0 388.961 2.720 20 0 GFADRO Cc1ccc(C[C@H](CO)C[NH2+][C@@H](C)C[C@@H]2CCC(=O)N2)cc1Br ZINC000926540392 664691901 /nfs/dbraw/zinc/69/19/01/664691901.db2.gz ZPQVQAIWACPRDJ-BPUTZDHNSA-N 1 0 383.330 2.555 20 0 GFADRO C[C@@H]1C[C@H]([NH2+]C[C@H](CO)Cc2ccc(F)c(Br)c2)c2ncnn21 ZINC000926543896 664692198 /nfs/dbraw/zinc/69/21/98/664692198.db2.gz MWOHRQXQOVKGBH-HCKVZZMMSA-N 1 0 383.265 2.626 20 0 GFADRO O[C@@H](C[NH2+][C@@H](Cc1ccccc1Br)c1ccco1)Cn1ccnn1 ZINC000926574065 664692589 /nfs/dbraw/zinc/69/25/89/664692589.db2.gz UFPCYDSEFOBNDQ-HOCLYGCPSA-N 1 0 391.269 2.568 20 0 GFADRO CC1(C)CNC(=O)[C@@H]1[NH2+]C1CCN(Cc2cccc(Br)c2)CC1 ZINC000926601012 664693471 /nfs/dbraw/zinc/69/34/71/664693471.db2.gz ZEYFXXVHCLCGMZ-INIZCTEOSA-N 1 0 380.330 2.528 20 0 GFADRO CC1(C)CC2(CC([NH2+]CCNC(=O)c3ccc(Br)cn3)C2)CO1 ZINC000926683559 664695276 /nfs/dbraw/zinc/69/52/76/664695276.db2.gz QDYYLZBPSKWZJX-UHFFFAOYSA-N 1 0 382.302 2.511 20 0 GFADRO C[C@H]([NH2+]C[C@H](O)c1ccc(Cl)c(Cl)c1)C1CCN(S(C)(=O)=O)CC1 ZINC000926722043 664695734 /nfs/dbraw/zinc/69/57/34/664695734.db2.gz PSRMFKICBOLEGX-ZBEGNZNMSA-N 1 0 395.352 2.677 20 0 GFADRO C[C@@H]([NH2+]Cc1cc(C(F)(F)F)cc(Cl)n1)C1CCN(S(C)(=O)=O)CC1 ZINC000926829731 664697455 /nfs/dbraw/zinc/69/74/55/664697455.db2.gz PUVCVZAMCIMLER-SNVBAGLBSA-N 1 0 399.866 2.904 20 0 GFADRO Cn1cc(C[NH2+]C2CCN(OCc3ccccc3)CC2)c(Br)n1 ZINC000926882904 664698489 /nfs/dbraw/zinc/69/84/89/664698489.db2.gz ZLBISKACYRZLPB-UHFFFAOYSA-N 1 0 379.302 2.868 20 0 GFADRO COc1cc(Br)cc(C[NH2+][C@@H](C)c2ccc(S(N)(=O)=O)cc2)c1 ZINC000926903931 664698872 /nfs/dbraw/zinc/69/88/72/664698872.db2.gz SEBHKUUAEBTHEV-NSHDSACASA-N 1 0 399.310 2.956 20 0 GFADRO COc1cc([C@@H](C)[NH2+]CC[C@@H](N(C)C)C(F)(F)F)ccc1S(C)(=O)=O ZINC000926963272 664699455 /nfs/dbraw/zinc/69/94/55/664699455.db2.gz NUHONQISFLEUGM-IAQYHMDHSA-N 1 0 382.448 2.632 20 0 GFADRO CCOC(=O)NC1CCC([NH2+]CC2(n3cc(Br)cn3)CC2)CC1 ZINC000927005540 664702033 /nfs/dbraw/zinc/70/20/33/664702033.db2.gz LTYQCRDGXZSZRT-UHFFFAOYSA-N 1 0 385.306 2.782 20 0 GFADRO CC(C)C[C@H]([NH2+]C[C@H](O)CS(C)(=O)=O)c1cccc(Br)c1 ZINC000927028254 664702637 /nfs/dbraw/zinc/70/26/37/664702637.db2.gz WTXXDLKYNJRPOR-GJZGRUSLSA-N 1 0 378.332 2.531 20 0 GFADRO C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)S2(=O)=O)c1ncc(Br)cc1F ZINC000927037013 664702755 /nfs/dbraw/zinc/70/27/55/664702755.db2.gz AWYLWWNCWCCBGP-QGFIPJAISA-N 1 0 377.279 2.742 20 0 GFADRO CCOCCOCC[NH2+][C@@H](c1ccc(Br)cc1)c1cncnc1 ZINC000927087924 664703378 /nfs/dbraw/zinc/70/33/78/664703378.db2.gz RLVKKGJMQVRXQE-KRWDZBQOSA-N 1 0 380.286 2.971 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCC2(n3cc(Br)cn3)CC2)[C@H](C)C1 ZINC000927107842 664703984 /nfs/dbraw/zinc/70/39/84/664703984.db2.gz LVRFKUNAJCCCIJ-UKRRQHHQSA-N 1 0 398.349 2.506 20 0 GFADRO Cn1nccc1[C@H](O)C[NH2+][C@@H](c1cccc(Br)c1)[C@@H]1CCOC1 ZINC000927126122 664704968 /nfs/dbraw/zinc/70/49/68/664704968.db2.gz JHSKZFPLOXELBQ-XYPHTWIQSA-N 1 0 380.286 2.583 20 0 GFADRO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@H]1C[C@@H](O)C12CCOCC2 ZINC000927162444 664705418 /nfs/dbraw/zinc/70/54/18/664705418.db2.gz MGPMKJGCPLCXQO-UHOFOFEASA-N 1 0 397.313 2.686 20 0 GFADRO CO[C@@H](C(=O)NCc1cc(N(C)C)cc[nH+]1)c1ccc(Br)s1 ZINC000927711645 664714423 /nfs/dbraw/zinc/71/44/23/664714423.db2.gz VNZDVHOSYKXNIZ-CQSZACIVSA-N 1 0 384.299 2.976 20 0 GFADRO [NH3+]CC[C@@H]1CCN(C(=O)C(=O)Nc2cccc(Cl)c2SCC(F)F)C1 ZINC000927885694 664717305 /nfs/dbraw/zinc/71/73/05/664717305.db2.gz IJNBBUZMMCKXBI-SNVBAGLBSA-N 1 0 391.871 2.833 20 0 GFADRO C[C@@H]1CN(C(=O)C(=O)Nc2ccccc2SC(F)(F)F)CC[C@H]1C[NH3+] ZINC000927893090 664717475 /nfs/dbraw/zinc/71/74/75/664717475.db2.gz NBNGVMNUUAGMEM-MNOVXSKESA-N 1 0 375.416 2.680 20 0 GFADRO C[C@H]1CN(C(=O)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC[C@H]1C[NH3+] ZINC000927893186 664717506 /nfs/dbraw/zinc/71/75/06/664717506.db2.gz LXEUVEBTXRCJBX-UWVGGRQHSA-N 1 0 377.794 2.741 20 0 GFADRO C[NH+](C)CCn1nccc1C(=O)N1CCC[C@@H]1c1cncc(Br)c1 ZINC000928354415 664728651 /nfs/dbraw/zinc/72/86/51/664728651.db2.gz PTXHUFGSOQTZBL-OAHLLOKOSA-N 1 0 392.301 2.580 20 0 GFADRO C[NH+](C)CC[C@@H](NC(=O)C(=O)c1ccc(Br)cc1)c1cccnc1 ZINC000928835905 664740645 /nfs/dbraw/zinc/74/06/45/664740645.db2.gz DVXWDKRPBQLQLZ-MRXNPFEDSA-N 1 0 390.281 2.836 20 0 GFADRO CC(C)(C)NS(=O)(=O)C1([C@@H](O)C[N@@H+]2CCC[C@H]2c2cccs2)CCC1 ZINC000929130600 664746822 /nfs/dbraw/zinc/74/68/22/664746822.db2.gz CGHQPNHQXAZVNZ-HOCLYGCPSA-N 1 0 386.583 2.887 20 0 GFADRO COCCOCCOCC[N@H+](C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000929331761 664750319 /nfs/dbraw/zinc/75/03/19/664750319.db2.gz WBVQPQYVFDYCGC-DLBZAZTESA-N 1 0 378.296 2.563 20 0 GFADRO CC[NH+](CC)[C@H](CNC(=O)C(=O)N[C@@H]1CCS[C@H](C)C1)c1ccsc1 ZINC000929396129 664751680 /nfs/dbraw/zinc/75/16/80/664751680.db2.gz NBEWNXJQMMUQHP-FVQBIDKESA-N 1 0 383.583 2.648 20 0 GFADRO O=C(C[C@@H]1C(=O)Nc2c1cccc2Br)NCCC[NH+]1CCCCC1 ZINC000929425470 664752225 /nfs/dbraw/zinc/75/22/25/664752225.db2.gz UWMJGPQETBZXHG-AWEZNQCLSA-N 1 0 394.313 2.867 20 0 GFADRO C[C@@](O)(C[NH+]1CCC(OC[C@@H]2CCCCO2)CC1)C(F)(F)C(F)(F)F ZINC000929803590 664758055 /nfs/dbraw/zinc/75/80/55/664758055.db2.gz ZRCKWPVKQKIOSI-UONOGXRCSA-N 1 0 375.378 2.985 20 0 GFADRO Cc1cc([C@@H]2CCC[N@@H+]2C[C@H](O)C[C@]2(O)CCOC2)ccc1Br ZINC000930303562 664766447 /nfs/dbraw/zinc/76/64/47/664766447.db2.gz CFSXECSJLORHNJ-BPQIPLTHSA-N 1 0 384.314 2.797 20 0 GFADRO C[C@@H](C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(I)cc1 ZINC000930368767 664768395 /nfs/dbraw/zinc/76/83/95/664768395.db2.gz VGXYHIKGZLUIHS-CHWSQXEVSA-N 1 0 398.288 2.995 20 0 GFADRO COC(=O)c1cc(Br)c(CN2CC[C@@H](n3cccn3)C2)cc1OC ZINC000930531069 664772372 /nfs/dbraw/zinc/77/23/72/664772372.db2.gz GRCRQVWXCONZGH-CYBMUJFWSA-N 1 0 394.269 2.888 20 0 GFADRO C[N@H+]1C[C@H]2CN(C(=O)Nc3cnn(-c4ccccc4Br)c3)C[C@H]2C1 ZINC000930548079 664772765 /nfs/dbraw/zinc/77/27/65/664772765.db2.gz ANAPGIUPJXWSQU-BETUJISGSA-N 1 0 390.285 2.660 20 0 GFADRO CC[NH+]1CCC(CNC(=O)C[C@@H]2C(=O)Nc3c2cccc3Br)CC1 ZINC000930587670 664773756 /nfs/dbraw/zinc/77/37/56/664773756.db2.gz KEQWLHUDPCZSRA-AWEZNQCLSA-N 1 0 394.313 2.723 20 0 GFADRO C[C@H]1CCC[N@@H+]1CCNC(=O)Nc1ccc(S(C)(=O)=O)c(C(F)F)c1 ZINC000930726363 664777277 /nfs/dbraw/zinc/77/72/77/664777277.db2.gz NRHJVIZFUQTUDJ-NSHDSACASA-N 1 0 375.441 2.634 20 0 GFADRO O=C(Nc1csc(-c2ccccn2)n1)N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000930754570 664777666 /nfs/dbraw/zinc/77/76/66/664777666.db2.gz CBAZHUYADMUIFU-GXTWGEPZSA-N 1 0 375.523 2.906 20 0 GFADRO C[C@@H]([NH2+]Cc1ccc(Br)nc1N)c1ccc(N2CCNC2=O)cc1 ZINC000930814206 664778817 /nfs/dbraw/zinc/77/88/17/664778817.db2.gz LRGOYKOVMBRITB-LLVKDONJSA-N 1 0 390.285 2.807 20 0 GFADRO Cc1ccc(I)cc1NC(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000930896702 664780446 /nfs/dbraw/zinc/78/04/46/664780446.db2.gz LDWMTTQJBFXUBO-TXEJJXNPSA-N 1 0 385.249 2.625 20 0 GFADRO C[N@@H+]1CC[C@H]1CNC(=O)Nc1ccnn1Cc1ccc(Br)cc1 ZINC000930943096 664781548 /nfs/dbraw/zinc/78/15/48/664781548.db2.gz JSURIXRJTXYQHP-AWEZNQCLSA-N 1 0 378.274 2.520 20 0 GFADRO CN(C)c1cc[nH+]c(CNC(=O)Nc2ccc(Cl)c(S(C)(=O)=O)c2)c1 ZINC000931042941 664783897 /nfs/dbraw/zinc/78/38/97/664783897.db2.gz OVFGFMAIWCWYSF-UHFFFAOYSA-N 1 0 382.873 2.526 20 0 GFADRO C[C@H]1[C@H]([NH+](C)C)CCN1CC(=O)Nc1c(F)cc(F)cc1Br ZINC000931047407 664783969 /nfs/dbraw/zinc/78/39/69/664783969.db2.gz YGFZPWWWDYSBRG-TVQRCGJNSA-N 1 0 376.245 2.690 20 0 GFADRO Cc1cc(Br)ccc1[C@@H]1CCC[N@@H+]1C[C@H](O)C[C@@]1(O)CCOC1 ZINC000931260818 664789638 /nfs/dbraw/zinc/78/96/38/664789638.db2.gz DCOBEGGHYYKQMV-NJAFHUGGSA-N 1 0 384.314 2.797 20 0 GFADRO C[C@H](NC(=O)CN1CCC(O)(C[NH+](C)C)CC1)c1ccc(Cl)cc1Cl ZINC000931484511 664796347 /nfs/dbraw/zinc/79/63/47/664796347.db2.gz VCDVGCRZAVYDCD-ZDUSSCGKSA-N 1 0 388.339 2.559 20 0 GFADRO CC1(C)CNC(=O)[C@H]1[NH2+]CC(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000931659691 664802030 /nfs/dbraw/zinc/80/20/30/664802030.db2.gz ARRJMCUMCBWECI-GOEBONIOSA-N 1 0 384.307 2.771 20 0 GFADRO C[NH+](C)CCc1ccc(NC(=O)C2(n3cc(Br)cn3)CC2)cc1 ZINC000931808198 664805551 /nfs/dbraw/zinc/80/55/51/664805551.db2.gz DSMJNICIECONNJ-UHFFFAOYSA-N 1 0 377.286 2.878 20 0 GFADRO CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)Nc1cn(C)nc1Br ZINC000931877527 664806716 /nfs/dbraw/zinc/80/67/16/664806716.db2.gz XHLXEVAAIOFYEL-UHFFFAOYSA-N 1 0 380.290 2.908 20 0 GFADRO Cc1cc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](C3OCCO3)C2)ccc1Br ZINC000932001293 664808566 /nfs/dbraw/zinc/80/85/66/664808566.db2.gz AVKBMWHEIPHJIH-STQMWFEESA-N 1 0 383.286 2.779 20 0 GFADRO COc1cc[nH+]c(N2CCN(C(=O)c3cnc(Br)c(C)c3)CC2)c1 ZINC000932013895 664808946 /nfs/dbraw/zinc/80/89/46/664808946.db2.gz MNCZWGNXBFELGX-UHFFFAOYSA-N 1 0 391.269 2.519 20 0 GFADRO O=C(c1nc(Br)c2ccccn21)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000932237303 664815436 /nfs/dbraw/zinc/81/54/36/664815436.db2.gz FBOITCIKJWXEMW-CYBMUJFWSA-N 1 0 377.286 2.797 20 0 GFADRO C[C@@H](C(=O)NC[C@H]1CCC[N@H+](C)C1)c1ccc(I)cc1 ZINC000932311593 664819139 /nfs/dbraw/zinc/81/91/39/664819139.db2.gz MXKXBFVZPUJDIJ-CHWSQXEVSA-N 1 0 386.277 2.853 20 0 GFADRO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2cc(=O)n(C)cc2Br)C1 ZINC000932511032 664823403 /nfs/dbraw/zinc/82/34/03/664823403.db2.gz WTLUUNZQZDQRJC-ZDUSSCGKSA-N 1 0 398.345 2.778 20 0 GFADRO Cc1c(Br)cc(F)cc1C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000932621435 664830209 /nfs/dbraw/zinc/83/02/09/664830209.db2.gz KMUCZQDYJZAGFL-AWEZNQCLSA-N 1 0 398.320 2.795 20 0 GFADRO CC[NH+]1CCN(CCNC(=O)c2cc3c([nH]2)c(C)ccc3Br)CC1 ZINC000932703652 664832193 /nfs/dbraw/zinc/83/21/93/664832193.db2.gz NNFMUJUTGPAVAM-UHFFFAOYSA-N 1 0 393.329 2.606 20 0 GFADRO C[C@H](CNC(=O)C/C=C/c1ccc(Br)cc1)C[NH+]1CCN(C)CC1 ZINC000932714721 664832642 /nfs/dbraw/zinc/83/26/42/664832642.db2.gz PVUVSHOREHGWFL-QDLOVBKTSA-N 1 0 394.357 2.852 20 0 GFADRO Cc1ncc(NC(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)c(C)c1Br ZINC000932763530 664835462 /nfs/dbraw/zinc/83/54/62/664835462.db2.gz GTMLDQIXKKJZRN-CABCVRRESA-N 1 0 397.317 2.524 20 0 GFADRO O=C1N[C@@H](C2CC[NH+](C[C@H](O)COc3c(Cl)cccc3Cl)CC2)CO1 ZINC000932784391 664838391 /nfs/dbraw/zinc/83/83/91/664838391.db2.gz JNQUNRXZCRMONT-SWLSCSKDSA-N 1 0 389.279 2.554 20 0 GFADRO O[C@@]1(c2ccc(Br)cc2)CCC[N@H+](C[C@@H]2CCC3(COC3)O2)C1 ZINC000932813676 664839746 /nfs/dbraw/zinc/83/97/46/664839746.db2.gz CAIYYHURISXWSQ-WMZOPIPTSA-N 1 0 382.298 2.681 20 0 GFADRO O=C(CC[NH+]1CCC(CO)(C(F)(F)F)CC1)N1CCc2sccc2C1 ZINC000932825754 664840868 /nfs/dbraw/zinc/84/08/68/664840868.db2.gz QIUKKGJCNUJNEX-UHFFFAOYSA-N 1 0 376.444 2.660 20 0 GFADRO COc1ncc(NC(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)c(C)c1Br ZINC000932960822 664845722 /nfs/dbraw/zinc/84/57/22/664845722.db2.gz SOXOJSFTKWNLJS-DGCLKSJQSA-N 1 0 383.290 2.719 20 0 GFADRO O=S(=O)(CC[NH2+][C@]12C[C@H]1COC21CCC1)c1ccc(Br)cc1 ZINC000933393249 664862025 /nfs/dbraw/zinc/86/20/25/664862025.db2.gz DUTDVHMKKFVLGX-BLLLJJGKSA-N 1 0 386.311 2.524 20 0 GFADRO Cc1cn2c(nc(C[NH2+][C@](C)(CO)Cc3ccc(Cl)cc3)cc2=O)s1 ZINC000933446058 664865009 /nfs/dbraw/zinc/86/50/09/664865009.db2.gz TUHHEZDPLQXSMD-SFHVURJKSA-N 1 0 377.897 2.801 20 0 GFADRO CN(C(=O)c1cc(Br)cnc1Br)[C@@H]1CCC[N@H+](C)C1 ZINC000933486042 664866702 /nfs/dbraw/zinc/86/67/02/664866702.db2.gz LONCBEVBTXJDIM-SNVBAGLBSA-N 1 0 391.107 2.773 20 0 GFADRO CC[NH+](CC)[C@@H]1CCN(C(=O)c2cc(Br)c3nccnc3c2)C1 ZINC000933793801 664878093 /nfs/dbraw/zinc/87/80/93/664878093.db2.gz GLIKTXIISFPLOI-CYBMUJFWSA-N 1 0 377.286 2.949 20 0 GFADRO CC[NH+](CC)[C@@H]1CCN(C(=O)c2cc3cc(Br)cnc3n2C)C1 ZINC000933793957 664878104 /nfs/dbraw/zinc/87/81/04/664878104.db2.gz IVEORISEKLXDNV-CQSZACIVSA-N 1 0 379.302 2.892 20 0 GFADRO COCCOc1ccc(NC(=O)NC[C@@H]2CCC[N@@H+]2C)cc1Br ZINC000933978012 664883305 /nfs/dbraw/zinc/88/33/05/664883305.db2.gz ITJGZSFIXMKTPC-ZDUSSCGKSA-N 1 0 386.290 2.690 20 0 GFADRO CN1CCN(C)CC[NH+](CCCCOc2ccc(Br)cc2)CC1 ZINC000933990935 664885817 /nfs/dbraw/zinc/88/58/17/664885817.db2.gz JNIDGKFFEUCGRJ-UHFFFAOYSA-N 1 0 384.362 2.787 20 0 GFADRO COCCN(CC[NH+](C)C)C(=O)Nc1nc2ccc3scnc3c2s1 ZINC000934025935 664887970 /nfs/dbraw/zinc/88/79/70/664887970.db2.gz KBJJFXXCVJKKTJ-UHFFFAOYSA-N 1 0 379.511 2.948 20 0 GFADRO COC1CC[NH+](CCNC(=O)c2nccc3c(Br)cccc32)CC1 ZINC000934306839 664898069 /nfs/dbraw/zinc/89/80/69/664898069.db2.gz WFOCBDGWCAHOJZ-UHFFFAOYSA-N 1 0 392.297 2.838 20 0 GFADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1nc(Br)c2ccccn21 ZINC000934318344 664898386 /nfs/dbraw/zinc/89/83/86/664898386.db2.gz AQWXFYXZJMKYSU-OLZOCXBDSA-N 1 0 377.286 2.796 20 0 GFADRO FC(F)(F)c1nc(Br)c2n1CCN(CC[NH+]1CCCCC1)C2 ZINC000934325851 664898983 /nfs/dbraw/zinc/89/89/83/664898983.db2.gz TULJSPFZUXCEGY-UHFFFAOYSA-N 1 0 381.240 2.966 20 0 GFADRO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)c1ncc(Br)cn1 ZINC000934353399 664900428 /nfs/dbraw/zinc/90/04/28/664900428.db2.gz WKOJMQXHKJAEGR-UHFFFAOYSA-N 1 0 397.239 2.976 20 0 GFADRO O=C(CC[NH2+][C@@H]1CCOC12CCOCC2)Nc1ccccc1Br ZINC000934405421 664905887 /nfs/dbraw/zinc/90/58/87/664905887.db2.gz UYFJZGAJENMIDB-OAHLLOKOSA-N 1 0 383.286 2.705 20 0 GFADRO C[C@H]([NH2+][C@H]1CCOC12CCOCC2)C(=O)Nc1ccc(Br)cc1 ZINC000934403434 664905937 /nfs/dbraw/zinc/90/59/37/664905937.db2.gz GWCDODNXPLBPNE-WFASDCNBSA-N 1 0 383.286 2.704 20 0 GFADRO CC(C)(C)S(=O)(=O)CCC[NH2+][C@](C)(CO)c1cccc(Br)c1 ZINC000934495021 664908534 /nfs/dbraw/zinc/90/85/34/664908534.db2.gz UCNGCGOFHVOZNA-MRXNPFEDSA-N 1 0 392.359 2.850 20 0 GFADRO CNC(=O)c1ccc(C[NH2+][C@](C)(CO)c2cccc(Br)c2)cc1 ZINC000934497096 664909169 /nfs/dbraw/zinc/90/91/69/664909169.db2.gz QWPFJSKMVLCTJI-GOSISDBHSA-N 1 0 377.282 2.806 20 0 GFADRO O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)c1cnc(CCC(F)(F)F)s1 ZINC000934724174 664915848 /nfs/dbraw/zinc/91/58/48/664915848.db2.gz WRBXHLCABJSVKX-GFCCVEGCSA-N 1 0 377.432 2.621 20 0 GFADRO Cc1nc(CC[NH2+][C@@H](CO)c2ccccc2I)cs1 ZINC000934826931 664924634 /nfs/dbraw/zinc/92/46/34/664924634.db2.gz JNQYJLBKANNTNP-AWEZNQCLSA-N 1 0 388.274 2.922 20 0 GFADRO CC(C)c1ncc(Br)c(C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)n1 ZINC000934952128 664931608 /nfs/dbraw/zinc/93/16/08/664931608.db2.gz QTNZCEDSUIYLBZ-JSGCOSHPSA-N 1 0 381.318 2.919 20 0 GFADRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2cnn3cccc(Br)c23)C1 ZINC000934953234 664931716 /nfs/dbraw/zinc/93/17/16/664931716.db2.gz YBUCKKVLESYOIG-SWLSCSKDSA-N 1 0 377.286 2.653 20 0 GFADRO O=C(c1cc(=O)[nH]cc1Br)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000935013255 664934028 /nfs/dbraw/zinc/93/40/28/664934028.db2.gz QUQZLQOMDCKYLQ-XHDPSFHLSA-N 1 0 380.286 2.639 20 0 GFADRO CCn1c2cc(Br)ccc2nc1NC(=O)COC1CC[NH+](C)CC1 ZINC000935214975 664946304 /nfs/dbraw/zinc/94/63/04/664946304.db2.gz HQXDOAILAJGSLR-UHFFFAOYSA-N 1 0 395.301 2.868 20 0 GFADRO C[NH+]1CCC(CCO)(NC(=O)C/C=C/c2ccc(Br)cc2)CC1 ZINC000935270756 664949769 /nfs/dbraw/zinc/94/97/69/664949769.db2.gz ZWQUHEGHZORPCC-NSCUHMNNSA-N 1 0 381.314 2.815 20 0 GFADRO C[C@@H](NC(=O)c1cc2ccc(Br)cc2c(=O)o1)C1=CC[N@H+](C)CC1 ZINC000935311515 664952538 /nfs/dbraw/zinc/95/25/38/664952538.db2.gz DAYZGSGCIDJPKI-LLVKDONJSA-N 1 0 391.265 2.936 20 0 GFADRO C[C@H](NC(=O)c1cc2ccc(Br)cc2c(=O)o1)C1=CC[N@H+](C)CC1 ZINC000935311517 664952670 /nfs/dbraw/zinc/95/26/70/664952670.db2.gz DAYZGSGCIDJPKI-NSHDSACASA-N 1 0 391.265 2.936 20 0 GFADRO C[C@H](NC(=O)C1(n2cc(Br)cn2)CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000935313823 664952899 /nfs/dbraw/zinc/95/28/99/664952899.db2.gz AGFZYRAAFGKLGJ-UONOGXRCSA-N 1 0 395.345 2.904 20 0 GFADRO CS[C@@H]1CN(C(=O)c2ccc(NC(C)=O)c(Cl)c2)C[C@@H]1[NH+]1CCCC1 ZINC000935367048 664956695 /nfs/dbraw/zinc/95/66/95/664956695.db2.gz JKYOCZFXDIWVHZ-DLBZAZTESA-N 1 0 381.929 2.950 20 0 GFADRO C[C@@H](NC(=O)c1cc(=O)[nH]cc1Br)[C@@H](c1ccccc1)[NH+](C)C ZINC000935438283 664961601 /nfs/dbraw/zinc/96/16/01/664961601.db2.gz KEGBMAHISUELPI-BZNIZROVSA-N 1 0 378.270 2.971 20 0 GFADRO CC[C@H]1C[N@H+](C)CCCN1C(=O)C[C@H]1C(=O)Nc2c1cccc2Br ZINC000935774418 664987860 /nfs/dbraw/zinc/98/78/60/664987860.db2.gz HCLAXPNYZCVOQB-GXTWGEPZSA-N 1 0 394.313 2.818 20 0 GFADRO CN(C)CC[N@H+](C)CCCN(C)C(=O)c1ncc(C(F)(F)F)cc1Cl ZINC000936012556 665004083 /nfs/dbraw/zinc/00/40/83/665004083.db2.gz DFMRPUCMMJNBHG-UHFFFAOYSA-N 1 0 380.842 2.709 20 0 GFADRO Cc1csc(C(=O)N[C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)[C@@H]2C)c1Cl ZINC000988203749 665020349 /nfs/dbraw/zinc/02/03/49/665020349.db2.gz UFPHHFFSQMITLT-SYQHCUMBSA-N 1 0 383.945 2.769 20 0 GFADRO C[NH+](C)[C@@H](C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccsc1Cl)C2)C1CC1 ZINC000996389400 665031298 /nfs/dbraw/zinc/03/12/98/665031298.db2.gz LJIOQIGBKGONKI-UQOMUDLDSA-N 1 0 381.929 2.603 20 0 GFADRO C[C@@H]1CC[N@H+](CC(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2csc(Cl)c2)C3)C1 ZINC000996390716 665031646 /nfs/dbraw/zinc/03/16/46/665031646.db2.gz VCGOBQDAYXAMQV-RZFFKMDDSA-N 1 0 381.929 2.605 20 0 GFADRO Cc1csc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@H]2CC[N@@H+](C)C2)c1Cl ZINC000996747198 665033603 /nfs/dbraw/zinc/03/36/03/665033603.db2.gz QVWUVAFMZGZWAW-MQYQWHSLSA-N 1 0 381.929 2.523 20 0 GFADRO C[C@H]1CCC[N@@H+]1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cc(Cl)cs1 ZINC001006279903 665069636 /nfs/dbraw/zinc/06/96/36/665069636.db2.gz KBRZHYJGJUSDBU-MYPMTAMASA-N 1 0 381.929 2.748 20 0 GFADRO C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2ccc(Cl)s2)C1 ZINC001006286330 665069898 /nfs/dbraw/zinc/06/98/98/665069898.db2.gz FZQMXLFIQNAQIJ-SYQHCUMBSA-N 1 0 381.929 2.605 20 0 GFADRO O=C(N[C@H]1C[C@H]([NH2+]Cc2ccc(Br)cc2)C1)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001020613949 665073317 /nfs/dbraw/zinc/07/33/17/665073317.db2.gz AVXSDGQJUZWHFZ-HHARLNAUSA-N 1 0 379.298 2.753 20 0 GFADRO Cn1ncc(Br)c1C[NH2+][C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1(C)C ZINC000397868809 677411951 /nfs/dbraw/zinc/41/19/51/677411951.db2.gz DYBRCYQULAYRDU-QWHCGFSZSA-N 1 0 387.322 2.964 20 0 GFADRO COc1cccc([C@@H](CNC(=O)c2cc(Br)cn2C)[NH+](C)C)c1 ZINC000120192807 677395964 /nfs/dbraw/zinc/39/59/64/677395964.db2.gz GBCKWGNEACAPNF-MRXNPFEDSA-N 1 0 380.286 2.829 20 0 GFADRO Cn1ncc(Br)c1C[NH2+][C@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000381928078 677406420 /nfs/dbraw/zinc/40/64/20/677406420.db2.gz QRJMCNBFLNYHDL-YPMHNXCESA-N 1 0 387.322 2.966 20 0 GFADRO Cn1ncc(Br)c1C[NH2+][C@@H]1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000382450056 677406423 /nfs/dbraw/zinc/40/64/23/677406423.db2.gz DIZRALANSDZMHG-NWDGAFQWSA-N 1 0 387.322 2.966 20 0 GFADRO CN(C(=O)c1cnc(Br)c(Br)c1)[C@H]1CCC[N@H+](C)C1 ZINC000382361266 677406527 /nfs/dbraw/zinc/40/65/27/677406527.db2.gz JNDFTYPTOCOGCI-JTQLQIEISA-N 1 0 391.107 2.773 20 0 GFADRO C[C@@H](NS(=O)(=O)c1cccnc1Cl)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000386366306 677407570 /nfs/dbraw/zinc/40/75/70/677407570.db2.gz RAIMLEKMBZIARO-GDBMZVCRSA-N 1 0 379.913 2.924 20 0 GFADRO C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)c1ccc(S(=O)(=O)c2ccccc2)s1 ZINC000579581613 677673449 /nfs/dbraw/zinc/67/34/49/677673449.db2.gz KYSNZARRTJHWBJ-PBFPGSCMSA-N 1 0 378.519 2.697 20 0 GFADRO C[C@@H](CNC(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1)c1c(Cl)cccc1Cl ZINC000579827227 677673585 /nfs/dbraw/zinc/67/35/85/677673585.db2.gz DJEKVEUTPZEEDI-NWDGAFQWSA-N 1 0 382.295 2.870 20 0 GFADRO Cc1nn(C)c(NC(=O)N2CC[NH2+]CC2)c1-c1ccc(Br)cc1 ZINC000580049983 677673645 /nfs/dbraw/zinc/67/36/45/677673645.db2.gz WMFRWALHTDVIIM-UHFFFAOYSA-N 1 0 378.274 2.595 20 0 GFADRO O[C@H](C[NH2+][C@H]1CCN(CC(F)(F)F)C1)COc1ccc(Cl)cc1Cl ZINC000580314244 677674125 /nfs/dbraw/zinc/67/41/25/677674125.db2.gz HZSALTBQBJTRBW-NWDGAFQWSA-N 1 0 387.229 2.959 20 0 GFADRO O=C(NC[C@H]1C[NH2+]CCO1)c1ccc(Oc2cccc(Cl)c2Cl)nc1 ZINC000580310701 677674152 /nfs/dbraw/zinc/67/41/52/677674152.db2.gz CMJDOMBTBUUUMI-GFCCVEGCSA-N 1 0 382.247 2.899 20 0 GFADRO FC(F)(c1cc(-c2ccccc2)nnc1Cl)N1CC[C@H]2[NH2+]CCO[C@@H]2C1 ZINC001164389873 718824756 /nfs/dbraw/zinc/82/47/56/718824756.db2.gz KFJQGQZGGUFJEF-GDBMZVCRSA-N 1 0 380.826 2.909 20 0 GFADRO FC(F)(c1cccc(-c2ccc(Cl)nn2)c1)N1CC[C@H]2[NH2+]CCO[C@H]2C1 ZINC001164390315 718825247 /nfs/dbraw/zinc/82/52/47/718825247.db2.gz NVYNMNZTZWQOBK-CVEARBPZSA-N 1 0 380.826 2.909 20 0 GFADRO FC(F)(c1ccc2nc(Cl)c(Cl)nc2c1)N1CCN2CC[NH2+]C[C@@H]2C1 ZINC001164399493 718835023 /nfs/dbraw/zinc/83/50/23/718835023.db2.gz YBLGVECKZZVVKM-LLVKDONJSA-N 1 0 388.249 2.575 20 0 GFADRO FC(F)(c1cccc2c(Cl)nc(Cl)nc21)N1CCN2CC[NH2+]C[C@H]2C1 ZINC001164399325 718835202 /nfs/dbraw/zinc/83/52/02/718835202.db2.gz SUZYJKZYKBEUJV-JTQLQIEISA-N 1 0 388.249 2.575 20 0 GFADRO CCOC(=O)c1cnc(C(F)(F)N2CCCCC23CC[NH2+]CC3)nc1Cl ZINC001164419501 718909372 /nfs/dbraw/zinc/90/93/72/718909372.db2.gz BHGGFYALHSKVAV-UHFFFAOYSA-N 1 0 388.846 2.964 20 0 GFADRO CCC[N@@H+]1CCCC[C@H]1c1ccc(N2C[C@H]3C[C@@H](C2)[C@H](C(=O)OCC)N3)nc1 ZINC001164615492 719004128 /nfs/dbraw/zinc/00/41/28/719004128.db2.gz HBLSAIVSHYDEIX-YOUFYPILSA-N 1 0 386.540 2.748 20 0 GFADRO CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@@H]2N1C(F)(F)c1cc(Cl)cnc1Cl ZINC001164613954 719013056 /nfs/dbraw/zinc/01/30/56/719013056.db2.gz AOTMFQJBZUXVID-ZHAHWJHGSA-N 1 0 380.222 2.663 20 0 GFADRO CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@H]2N1C(F)(F)c1nc2ccccc2nc1Cl ZINC001164618752 719016251 /nfs/dbraw/zinc/01/62/51/719016251.db2.gz STPPCHOQLSRIFR-DDTOSNHZSA-N 1 0 396.825 2.558 20 0 GFADRO [NH3+]C1([C@@H]2CN(c3ncnc4c3CCN(Cc3ccccc3)C4)C[C@@H]2CF)CC1 ZINC001164628784 719118194 /nfs/dbraw/zinc/11/81/94/719118194.db2.gz OCDDALBOTKZSQN-PKOBYXMFSA-N 1 0 381.499 2.548 20 0 GFADRO CCOC(=O)c1ccc(C(F)(F)N2C[C@H](CF)[C@@H](C3([NH3+])CC3)C2)c(Cl)n1 ZINC001164625303 719121307 /nfs/dbraw/zinc/12/13/07/719121307.db2.gz WSGMVLPTHAKKJR-JQWIXIFHSA-N 1 0 391.821 2.970 20 0 GFADRO COC(=O)[C@@H]1C[NH2+]CCN1C(F)(F)c1cc(-c2ccc(C)cc2)nnc1Cl ZINC001164636587 719137478 /nfs/dbraw/zinc/13/74/78/719137478.db2.gz ZBCNMJNSWSAJSP-HNNXBMFYSA-N 1 0 396.825 2.602 20 0 GFADRO O=C(CC1CC1)N[C@@H]1CN(c2ccc(C[NH+]3CCCC3)cn2)C[C@@H]2CCCO[C@H]12 ZINC001164652186 719325701 /nfs/dbraw/zinc/32/57/01/719325701.db2.gz CBYKQGZPCABDFW-MZKRTTBSSA-N 1 0 398.551 2.578 20 0 GFADRO CC(C)N(C)C(=O)c1noc2c1CN(c1ccc(C[NH+]3CCCC3)cn1)CC2 ZINC001164695144 719788274 /nfs/dbraw/zinc/78/82/74/719788274.db2.gz JNXSMFKVMGTSDT-UHFFFAOYSA-N 1 0 383.496 2.709 20 0 GFADRO O=C1Cc2cc(N3CCC4(CC3)C[N@H+](Cc3cccs3)CCO4)ncc2N1 ZINC001164696139 719888296 /nfs/dbraw/zinc/88/82/96/719888296.db2.gz ZFEBKEAIBQJIDC-UHFFFAOYSA-N 1 0 384.505 2.509 20 0 GFADRO CC(C)(c1ccnc(Cl)c1)[N@@H+]1C[C@@H]2COC[C@H](C(=O)N3CCCCO3)[C@H]2C1 ZINC001164703068 719923914 /nfs/dbraw/zinc/92/39/14/719923914.db2.gz ILTODZIOZREVKO-PVAVHDDUSA-N 1 0 393.915 2.719 20 0 GFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ncnc3c(OC)cccc31)C2 ZINC001164809820 720087140 /nfs/dbraw/zinc/08/71/40/720087140.db2.gz KRAIRCCWSFXOEL-VGSWGCGISA-N 1 0 382.508 2.823 20 0 GFADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncccc1OC)CC2 ZINC001164710252 720103507 /nfs/dbraw/zinc/10/35/07/720103507.db2.gz HZMQVJFHNDZKFU-IBGZPJMESA-N 1 0 382.508 2.993 20 0 GFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ncc3cccc(OC)c3n1)C2 ZINC001164816213 720122199 /nfs/dbraw/zinc/12/21/99/720122199.db2.gz YLSZICLVBQIWEC-AVRDEDQJSA-N 1 0 382.508 2.823 20 0 GFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cc(C(=O)N3CCCC3)ccn1)C2 ZINC001164816517 720147096 /nfs/dbraw/zinc/14/70/96/720147096.db2.gz ZUMALRDSWGLDMR-NFBKMPQASA-N 1 0 398.551 2.502 20 0 GFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(C(N)=O)cc3ccccc31)C2 ZINC001164817839 720177427 /nfs/dbraw/zinc/17/74/27/720177427.db2.gz QJFPMXTXQICHGA-WZONZLPQSA-N 1 0 394.519 2.518 20 0 GFADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2ncnc3ccccc32)CC1 ZINC001164826761 720294815 /nfs/dbraw/zinc/29/48/15/720294815.db2.gz WKAHFSZJDYUXNG-WOJBJXKFSA-N 1 0 379.508 2.541 20 0 GFADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2nccc3ncccc32)CC1 ZINC001164821917 720298876 /nfs/dbraw/zinc/29/88/76/720298876.db2.gz LYTJAPWNHMACRD-UXHICEINSA-N 1 0 379.508 2.541 20 0 GFADRO CC(=O)NC[C@@H]1c2ncn(C(C)C)c2CCN1c1ncccc1C[NH+]1CCCC1 ZINC001164723856 720317253 /nfs/dbraw/zinc/31/72/53/720317253.db2.gz PNNQIEVMSYVADC-HXUWFJFHSA-N 1 0 396.539 2.695 20 0 GFADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2ncc(F)c3cc[nH]c32)CC1 ZINC001164829442 720331973 /nfs/dbraw/zinc/33/19/73/720331973.db2.gz MAEQKCJFMCXOBL-ZWKOTPCHSA-N 1 0 385.487 2.614 20 0 GFADRO Cc1nc(CO[C@@H]2CN(c3cc(C[NH+](C)C)ccn3)[C@H]3CCCO[C@@H]23)cs1 ZINC001164821853 720391739 /nfs/dbraw/zinc/39/17/39/720391739.db2.gz JQJBDFHKFKRUDN-NLWGTHIKSA-N 1 0 388.537 2.861 20 0 GFADRO CCOC(=O)c1cnc2cc(N3CC[C@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)[nH]cc1-2 ZINC001164735741 720428543 /nfs/dbraw/zinc/42/85/43/720428543.db2.gz YJKUWJKVNREMKE-VQTJNVASSA-N 1 0 391.475 2.988 20 0 GFADRO COc1nc(Cl)cc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)n1 ZINC001164836074 720510076 /nfs/dbraw/zinc/51/00/76/720510076.db2.gz MCQXVOYCEYZNIH-OWCLPIDISA-N 1 0 390.919 2.713 20 0 GFADRO COC(=O)c1ccc(C)nc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164837860 720515343 /nfs/dbraw/zinc/51/53/43/720515343.db2.gz QBCDMEVDPVKOPM-NLWGTHIKSA-N 1 0 397.523 2.751 20 0 GFADRO COc1cc2c(cc1Cl)ncnc2N1Cc2nccn2C[C@H](C[NH+](C)C)C1 ZINC001164728830 720515875 /nfs/dbraw/zinc/51/58/75/720515875.db2.gz LTLXUJHSSXYMRS-ZDUSSCGKSA-N 1 0 386.887 2.686 20 0 GFADRO COC(=O)c1cc(C)cc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)n1 ZINC001164840224 720563871 /nfs/dbraw/zinc/56/38/71/720563871.db2.gz SGJVFAYWYZIKGS-NLWGTHIKSA-N 1 0 397.523 2.751 20 0 GFADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3cncc(N4CCCC4)n3)CC[C@@H]21 ZINC001164840873 720576147 /nfs/dbraw/zinc/57/61/47/720576147.db2.gz UJIBIFOBRZJYGC-UFYCRDLUSA-N 1 0 395.555 2.651 20 0 GFADRO CC(C)[N@H+]1[C@@H]2CCN(c3nccnc3OC3CCC3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164839470 720631764 /nfs/dbraw/zinc/63/17/64/720631764.db2.gz NJYAOODIYMTQGJ-WSTZPKSXSA-N 1 0 396.539 2.982 20 0 GFADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3ncc4c(n3)CCCC4)CC[C@@H]21 ZINC001164843535 720632363 /nfs/dbraw/zinc/63/23/63/720632363.db2.gz XUWYCEZRZOQDAC-ZJOUEHCJSA-N 1 0 380.540 2.930 20 0 GFADRO Cc1ccc2c(c1)nc(Cl)nc2N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164737614 720701059 /nfs/dbraw/zinc/70/10/59/720701059.db2.gz GOIMWFVIMLEZMM-CABCVRRESA-N 1 0 396.882 2.724 20 0 GFADRO COCc1ccc(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)nn1 ZINC001164837692 720724353 /nfs/dbraw/zinc/72/43/53/720724353.db2.gz GRKNMJPECWPURB-HXUWFJFHSA-N 1 0 382.508 2.883 20 0 GFADRO FC(F)c1nc2ccccc2c(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)n1 ZINC001164738197 720776688 /nfs/dbraw/zinc/77/66/88/720776688.db2.gz DYMUYPGQKABXRM-ZIAGYGMSSA-N 1 0 398.417 2.699 20 0 GFADRO c1ncn(C[C@H]2C[C@H]3CN(c4ncnc5ccccc54)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164748853 720812877 /nfs/dbraw/zinc/81/28/77/720812877.db2.gz RPEACWRVJLZAPR-WAOWUJCRSA-N 1 0 389.507 2.601 20 0 GFADRO CC(C)c1cncnc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164743838 720828306 /nfs/dbraw/zinc/82/83/06/720828306.db2.gz SUNBFPKJJAGFJS-CMKODMSKSA-N 1 0 381.528 2.571 20 0 GFADRO c1ncn(C[C@H]2C[C@@H]3CN(c4cc5ccccc5nn4)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164744479 720830004 /nfs/dbraw/zinc/83/00/04/720830004.db2.gz UNWKGCOKZSXDFT-SFHLNBCPSA-N 1 0 389.507 2.601 20 0 GFADRO COCC[N@@H+]1CCO[C@@H]2CN(c3nc(Cl)nc4ccc(F)cc43)CC[C@H]2C1 ZINC001164855517 720838112 /nfs/dbraw/zinc/83/81/12/720838112.db2.gz UEJMKRQGKUCRPT-SUMWQHHRSA-N 1 0 394.878 2.596 20 0 GFADRO COCC[N@@H+]1CCO[C@@H]2CN(c3nnc(Cl)c4ccsc43)CC[C@H]2C1 ZINC001164857717 720843518 /nfs/dbraw/zinc/84/35/18/720843518.db2.gz YOOPLNXLFUYWAB-GXTWGEPZSA-N 1 0 382.917 2.518 20 0 GFADRO Cc1cc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc(C(C)C)n1 ZINC001164743136 720846655 /nfs/dbraw/zinc/84/66/55/720846655.db2.gz IWYMRSPUATWULY-VAMGGRTRSA-N 1 0 395.555 2.879 20 0 GFADRO COCC[N@@H+]1CCO[C@@H]2CN(C(F)(F)c3cnc(Cl)c(F)c3)CC[C@@H]2C1 ZINC001164857705 720851717 /nfs/dbraw/zinc/85/17/17/720851717.db2.gz YNIZLZATWVMDDO-IUODEOHRSA-N 1 0 393.837 2.593 20 0 GFADRO COCC[N@@H+]1CCO[C@H]2CN(C(F)(F)c3ccc(C)c(Cl)n3)CC[C@@H]2C1 ZINC001164853036 720858532 /nfs/dbraw/zinc/85/85/32/720858532.db2.gz GFMOPWLZZZRSPP-CABCVRRESA-N 1 0 389.874 2.762 20 0 GFADRO Cc1cnnc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)c1 ZINC001164749781 720877284 /nfs/dbraw/zinc/87/72/84/720877284.db2.gz HVOBTNKGXULIRG-JTHBVZDNSA-N 1 0 393.535 2.935 20 0 GFADRO COCC[N@@H+]1CCO[C@H]2CN(c3cc(C)nc(-c4cccs4)n3)CC[C@H]2C1 ZINC001164858601 720881385 /nfs/dbraw/zinc/88/13/85/720881385.db2.gz LHXXNHJDEKEMFE-IRXDYDNUSA-N 1 0 388.537 2.687 20 0 GFADRO C[NH+](C)CCNC(=O)c1noc2c1CN(c1nccc3cc(Cl)ccc31)CC2 ZINC001164749577 720951903 /nfs/dbraw/zinc/95/19/03/720951903.db2.gz HVWRHZPTKWYYLM-UHFFFAOYSA-N 1 0 399.882 2.730 20 0 GFADRO C[NH+](C)CCNC(=O)c1noc2c1CN(c1ccc3ccc(Cl)cc3n1)CC2 ZINC001164751631 720958534 /nfs/dbraw/zinc/95/85/34/720958534.db2.gz REECZIZWMGYJAA-UHFFFAOYSA-N 1 0 399.882 2.730 20 0 GFADRO CC(C)[N@H+](C)Cc1cnc2n1CCN([C@H](F)Oc1ccc(Cl)nn1)[C@@H]2C ZINC001164863635 721021611 /nfs/dbraw/zinc/02/16/11/721021611.db2.gz UNRUWMGLWDZACG-PXAZEXFGSA-N 1 0 382.871 2.875 20 0 GFADRO Cc1cc2c(ncnc2N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)s1 ZINC001164868692 721042924 /nfs/dbraw/zinc/04/29/24/721042924.db2.gz PXAZCOPHMDUTEK-DLBZAZTESA-N 1 0 381.505 2.874 20 0 GFADRO Cc1nc2ccccc2c(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164867827 721064085 /nfs/dbraw/zinc/06/40/85/721064085.db2.gz KTPPARGETNJTOM-RBUKOAKNSA-N 1 0 375.476 2.813 20 0 GFADRO c1coc(-c2cnc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)cn2)c1 ZINC001164864076 721078225 /nfs/dbraw/zinc/07/82/25/721078225.db2.gz DYLZEHIQLSZKCL-MSOLQXFVSA-N 1 0 377.448 2.611 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4nccc5c(Cl)ccnc54)C[C@@H]3C2)cn1 ZINC001164772048 721087408 /nfs/dbraw/zinc/08/74/08/721087408.db2.gz SYZQUNPTPJBILX-CVEARBPZSA-N 1 0 382.899 2.975 20 0 GFADRO COc1cccc2cnc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)nc21 ZINC001164862772 721094235 /nfs/dbraw/zinc/09/42/35/721094235.db2.gz AGYYSGFHHKPHPM-OALUTQOASA-N 1 0 391.475 2.513 20 0 GFADRO Cc1cccc2ncnc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)c12 ZINC001164867746 721094876 /nfs/dbraw/zinc/09/48/76/721094876.db2.gz ZYCBTUFCKROUHK-OALUTQOASA-N 1 0 375.476 2.813 20 0 GFADRO CC(C)n1ccc2c1ncnc2N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164872269 721129437 /nfs/dbraw/zinc/12/94/37/721129437.db2.gz HGATUYLDRABUIJ-OALUTQOASA-N 1 0 392.507 2.887 20 0 GFADRO CCc1c(Cl)nnc(N2C[C@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)c1CC ZINC001164765621 721138177 /nfs/dbraw/zinc/13/81/77/721138177.db2.gz JQSQVNOWEXPXJF-HZPDHXFCSA-N 1 0 388.947 2.947 20 0 GFADRO Cc1cc2cccnc2c(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164876430 721171799 /nfs/dbraw/zinc/17/17/99/721171799.db2.gz MJLABILMSUAZMG-UXHICEINSA-N 1 0 375.476 2.813 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4nccnc4Oc4ccccc4)C[C@@H]3C2)cn1 ZINC001164764951 721227250 /nfs/dbraw/zinc/22/72/50/721227250.db2.gz HIBJBNRRGTXPDW-MOPGFXCFSA-N 1 0 390.491 2.961 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4cncc(-c5ccc(F)cc5)n4)C[C@@H]3C2)cn1 ZINC001164769696 721237394 /nfs/dbraw/zinc/23/73/94/721237394.db2.gz ZEAWFLVLCVCBKY-OALUTQOASA-N 1 0 392.482 2.975 20 0 GFADRO COc1cc(Cl)cnc1N1CC[C@]2(C1)CCC[C@@H](C[NH+]1CCN(C)CC1)O2 ZINC001164892885 721388816 /nfs/dbraw/zinc/38/88/16/721388816.db2.gz UFQJCBGYXDPLMH-PXNSSMCTSA-N 1 0 394.947 2.509 20 0 GFADRO CCOC(=O)c1c[nH]c2cc(N3C[C@H]4CN(Cc5nccs5)C[C@@H]4C3)[nH+]cc21 ZINC001164781275 721423655 /nfs/dbraw/zinc/42/36/55/721423655.db2.gz DAKGAKGMAOVWON-ZIAGYGMSSA-N 1 0 397.504 2.764 20 0 GFADRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2nccc4ccc(Cl)cc42)CC3)CC1 ZINC001164794993 721511893 /nfs/dbraw/zinc/51/18/93/721511893.db2.gz ZHENJFDYHZWTFD-UHFFFAOYSA-N 1 0 396.926 2.852 20 0 GFADRO COc1cnc(SC)nc1N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164896278 721514111 /nfs/dbraw/zinc/51/41/11/721514111.db2.gz ALCPTSUINASQLA-GOEBONIOSA-N 1 0 390.484 2.688 20 0 GFADRO COC(=O)c1ccc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)nc1C ZINC001164902869 721528540 /nfs/dbraw/zinc/52/85/40/721528540.db2.gz BMWZEGZDZILOPO-AEFFLSMTSA-N 1 0 385.439 2.658 20 0 GFADRO Cc1nc2ccc(N3CC[N@@H+]4C[C@@H](Oc5cccc(F)c5)C[C@H]4C3)nc2n1C ZINC001164909308 721533898 /nfs/dbraw/zinc/53/38/98/721533898.db2.gz RGVFADJZBQUWFS-WMZOPIPTSA-N 1 0 381.455 2.758 20 0 GFADRO Nc1cc(F)c(Cl)nc1N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164909337 721546887 /nfs/dbraw/zinc/54/68/87/721546887.db2.gz ROORHBBMENRNTH-GXTWGEPZSA-N 1 0 380.826 2.937 20 0 GFADRO FC1(F)CCN(c2ccnc3ccnn32)C[C@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164904541 721582823 /nfs/dbraw/zinc/58/28/23/721582823.db2.gz REMWYNNKQPFJQC-LJQANCHMSA-N 1 0 384.434 2.862 20 0 GFADRO CSc1ccnc(Cl)c1N1CCCC12CC[NH+](CC(=O)N(C)C)CC2 ZINC001165010479 721740804 /nfs/dbraw/zinc/74/08/04/721740804.db2.gz MSYBUDIJDJWLCK-UHFFFAOYSA-N 1 0 382.961 2.980 20 0 GFADRO Cc1cc2ncnc(N3CCCC34CC[NH+](CC(=O)N(C)C)CC4)c2cc1C ZINC001165012966 721749011 /nfs/dbraw/zinc/74/90/11/721749011.db2.gz RVDDCCUDCVYPCB-UHFFFAOYSA-N 1 0 381.524 2.770 20 0 GFADRO COC(=O)Cc1cccc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)n1 ZINC001165025571 721810276 /nfs/dbraw/zinc/81/02/76/721810276.db2.gz NTYWJFTXOJGXAN-YYWHXJBOSA-N 1 0 394.519 2.929 20 0 GFADRO CCOC(=O)C1(F)CCN(c2ncnc3c2CN(Cc2ccccc2)CC3)CC1 ZINC001165018834 721834378 /nfs/dbraw/zinc/83/43/78/721834378.db2.gz TXOSRGLYLHKMNA-UHFFFAOYSA-N 1 0 398.482 2.907 20 0 GFADRO COC(=O)c1cccc(N(C)C2CC[NH+](Cc3c(OC)cccc3OC)CC2)n1 ZINC001165023499 721838177 /nfs/dbraw/zinc/83/81/77/721838177.db2.gz ZSZHVPZMLGJVHU-UHFFFAOYSA-N 1 0 399.491 2.986 20 0 GFADRO CCOc1cnc(N(C)C2CC[NH+](Cc3c(OC)cccc3OC)CC2)nc1 ZINC001165020325 721839834 /nfs/dbraw/zinc/83/98/34/721839834.db2.gz HVZAADKQNGVJNB-UHFFFAOYSA-N 1 0 386.496 2.993 20 0 GFADRO CCC[C@@H](C)NS(=O)(=O)c1ccc(N2CC[NH+](C3CCCC3)CC2)nc1 ZINC000108930956 721860273 /nfs/dbraw/zinc/86/02/73/721860273.db2.gz LEHPQOVLUSDUMJ-MRXNPFEDSA-N 1 0 380.558 2.613 20 0 GFADRO CCC(CC)NS(=O)(=O)c1ccc(N2CC[NH+](C3CCCC3)CC2)nc1 ZINC000108853402 721860493 /nfs/dbraw/zinc/86/04/93/721860493.db2.gz NWGXJUXEUJZKSV-UHFFFAOYSA-N 1 0 380.558 2.613 20 0 GFADRO C[NH+](C)[C@@H]1CCCN(c2ccc(S(=O)(=O)Nc3cc(F)ccc3F)cn2)C1 ZINC001165035194 721897491 /nfs/dbraw/zinc/89/74/91/721897491.db2.gz LITJWGQTSVVRJT-CQSZACIVSA-N 1 0 396.463 2.691 20 0 GFADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4cc(N(C)C)ncn4)CC3)C2)cc1 ZINC001164939920 721920317 /nfs/dbraw/zinc/92/03/17/721920317.db2.gz WNTULVPUQFYVGG-UHFFFAOYSA-N 1 0 381.524 2.722 20 0 GFADRO CN(CC1CC[NH+](C)CC1)c1nccc(-c2cnc(N3CCCCC3)nc2)n1 ZINC001165041205 721935172 /nfs/dbraw/zinc/93/51/72/721935172.db2.gz KIBHEEDVCJAEFB-UHFFFAOYSA-N 1 0 381.528 2.702 20 0 GFADRO Nc1cnc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)c(Cl)c1 ZINC001164963236 722056123 /nfs/dbraw/zinc/05/61/23/722056123.db2.gz JIXIDUQECUIDNV-UHFFFAOYSA-N 1 0 387.915 2.831 20 0 GFADRO COCOc1ccc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)nc1 ZINC001164964629 722056706 /nfs/dbraw/zinc/05/67/06/722056706.db2.gz WEPYKNUWXKIEDQ-UHFFFAOYSA-N 1 0 398.507 2.578 20 0 GFADRO CCOC(=O)c1cc2ccccc2nc1N1C[C@@H]2C[N@@H+](CC3CC3)C[C@H](C1)O2 ZINC001164966599 722073895 /nfs/dbraw/zinc/07/38/95/722073895.db2.gz DDYLLEDLCKMFRJ-HDICACEKSA-N 1 0 381.476 2.711 20 0 GFADRO CC(C)(C)c1noc(-c2ccnc(N3C[C@@H]4C[N@@H+](CC5CC5)C[C@H](C3)O4)c2)n1 ZINC001164967758 722074360 /nfs/dbraw/zinc/07/43/60/722074360.db2.gz VELDLROPMBLJOT-CALCHBBNSA-N 1 0 383.496 2.729 20 0 GFADRO CN(C)C(=O)N[C@H]1c2ccccc2[C@H]2CN(c3cc(C[NH+](C)C)ccn3)C[C@H]12 ZINC001164976331 722098238 /nfs/dbraw/zinc/09/82/38/722098238.db2.gz CPRFTPXAMSFURZ-DYXWJJEUSA-N 1 0 379.508 2.689 20 0 GFADRO c1ccc2c(c1)ncnc2N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164978352 722101938 /nfs/dbraw/zinc/10/19/38/722101938.db2.gz GSXHYJJMHNDOFI-RXVVDRJESA-N 1 0 375.476 2.752 20 0 GFADRO Fc1ccc2c(c1)ncnc2N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164984730 722103892 /nfs/dbraw/zinc/10/38/92/722103892.db2.gz UGQUVCJOGDNPEO-DYESRHJHSA-N 1 0 393.466 2.891 20 0 GFADRO Fc1nc(F)c(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c(Cl)n1 ZINC001164975207 722136844 /nfs/dbraw/zinc/13/68/44/722136844.db2.gz FSPBWWPBFQOTMH-KGLIPLIRSA-N 1 0 395.841 2.531 20 0 GFADRO Cc1cc(Br)cnc1NCc1cccnc1N1CC[NH+](C)CC1 ZINC000531823901 532636416 /nfs/dbraw/zinc/63/64/16/532636416.db2.gz AHWSKXONGYAWRW-UHFFFAOYSA-N 1 0 376.302 2.911 20 0 GFADRO O=C(Nc1ccn(-c2ccc(Br)cc2)n1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000632949823 532652616 /nfs/dbraw/zinc/65/26/16/532652616.db2.gz VWOIKKCTVLNWCK-BETUJISGSA-N 1 0 376.258 2.603 20 0 GFADRO COCc1cccc(CNC(=O)NCC2([NH+]3CCOCC3)CCCCC2)c1 ZINC000047793312 205111882 /nfs/dbraw/zinc/11/18/82/205111882.db2.gz IXLSFUOODWGHMQ-UHFFFAOYSA-N 1 0 375.513 2.667 20 0 GFADRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)COc2ccc(N3CCCC3=O)cc2)C1 ZINC000053392434 205137278 /nfs/dbraw/zinc/13/72/78/205137278.db2.gz BZNUKFCUNRQJOW-QGZVFWFLSA-N 1 0 387.524 2.819 20 0 GFADRO O=C(NC1CC[NH+](Cc2ccncc2)CC1)c1cc(Br)ccc1O ZINC000057166943 205155105 /nfs/dbraw/zinc/15/51/05/205155105.db2.gz YXVZAIHJZIPTNX-UHFFFAOYSA-N 1 0 390.281 2.944 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)NCCC(=O)NC1CCCCC1)c1cccc(F)c1 ZINC000057179255 205155196 /nfs/dbraw/zinc/15/51/96/205155196.db2.gz AHYXZBXYECNNQP-SFHVURJKSA-N 1 0 378.492 2.567 20 0 GFADRO CC(C)(C)CC[NH+]1CCN(C(=O)[C@H]2CCCN2C(=O)c2ccccc2O)CC1 ZINC000063801548 205187673 /nfs/dbraw/zinc/18/76/73/205187673.db2.gz IJPFPLBBJIRURK-GOSISDBHSA-N 1 0 387.524 2.577 20 0 GFADRO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)c1nn(-c2ccc(F)c(F)c2)c2c1CCC2 ZINC000072012805 206209110 /nfs/dbraw/zinc/20/91/10/206209110.db2.gz PYMCYGPQPCQLQF-CYBMUJFWSA-N 1 0 386.446 2.853 20 0 GFADRO CC(C)C[C@H](CO)[N@H+](C)CC(=O)Nc1ccccc1I ZINC000185371252 552361328 /nfs/dbraw/zinc/36/13/28/552361328.db2.gz NNYCMGADKKDOND-GFCCVEGCSA-N 1 0 390.265 2.569 20 0 GFADRO CC(C)[N@@H+]1CCC[C@@H](NS(=O)(=O)c2cc(Br)c(F)cc2F)C1 ZINC000435447754 563652411 /nfs/dbraw/zinc/65/24/11/563652411.db2.gz RAPSXRVKLXHLEZ-SNVBAGLBSA-N 1 0 397.285 2.878 20 0 GFADRO C[NH+](C)Cc1ccc(CNS(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000008060025 551103094 /nfs/dbraw/zinc/10/30/94/551103094.db2.gz HXFUGIWRWBDUIG-UHFFFAOYSA-N 1 0 383.311 2.989 20 0 GFADRO O=C(Nc1ccccc1I)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000414663907 563749500 /nfs/dbraw/zinc/74/95/00/563749500.db2.gz SILRGGCHQAHGQR-OAHLLOKOSA-N 1 0 385.249 2.899 20 0 GFADRO O=C(C[C@H]1Sc2ccc(Cl)cc2NC1=O)NC1CC[NH+](C2CC2)CC1 ZINC000011527248 551107235 /nfs/dbraw/zinc/10/72/35/551107235.db2.gz FSNCDMCNWPBEKX-MRXNPFEDSA-N 1 0 379.913 2.886 20 0 GFADRO C[NH+](C)CCNC(=O)Cc1ccc(NC(=O)c2ccc(Br)o2)cc1 ZINC000013716154 551109551 /nfs/dbraw/zinc/10/95/51/551109551.db2.gz NQYXTOSGNRAWTP-UHFFFAOYSA-N 1 0 394.269 2.515 20 0 GFADRO O=S(=O)(c1ccc(C[NH2+]Cc2ccccc2Cl)cc1)N1CCOCC1 ZINC000017317365 551112967 /nfs/dbraw/zinc/11/29/67/551112967.db2.gz JTGVTUWGZRMKFA-UHFFFAOYSA-N 1 0 380.897 2.651 20 0 GFADRO C[C@@H](CNS(=O)(=O)c1cccc(Br)c1)C[NH+]1CCCCC1 ZINC000040446431 551134987 /nfs/dbraw/zinc/13/49/87/551134987.db2.gz VMEJBEGAIMQGGF-ZDUSSCGKSA-N 1 0 375.332 2.849 20 0 GFADRO Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC000042187556 551138666 /nfs/dbraw/zinc/13/86/66/551138666.db2.gz RLEIRHXBTYATPI-OAHLLOKOSA-N 1 0 381.929 2.726 20 0 GFADRO COc1ccc(S(=O)(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)cc1Cl ZINC000042157688 551138769 /nfs/dbraw/zinc/13/87/69/551138769.db2.gz KCBFFWVYTSVWFZ-HNNXBMFYSA-N 1 0 382.913 2.800 20 0 GFADRO CC[NH+](CC)CCCNC(=O)NCC(=O)Nc1cc(Cl)ccc1Cl ZINC000043004501 551140693 /nfs/dbraw/zinc/14/06/93/551140693.db2.gz IICKVVQRTSQWDE-UHFFFAOYSA-N 1 0 375.300 2.963 20 0 GFADRO CCS(=O)(=O)c1ccc(NC(=O)NC[C@H](c2cccs2)[NH+](C)C)cc1 ZINC000043953102 551143071 /nfs/dbraw/zinc/14/30/71/551143071.db2.gz OJIXUJPKMIOXAI-OAHLLOKOSA-N 1 0 381.523 2.966 20 0 GFADRO C[C@H]1C[NH+](CCCNC(=O)NCc2ccc(Br)s2)C[C@H](C)O1 ZINC000048458120 551156483 /nfs/dbraw/zinc/15/64/83/551156483.db2.gz FCGCHWONJGKCLO-RYUDHWBXSA-N 1 0 390.347 2.809 20 0 GFADRO O=C(c1ccccc1I)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000048551266 551156958 /nfs/dbraw/zinc/15/69/58/551156958.db2.gz JOUGXNPNKVCUNK-CYBMUJFWSA-N 1 0 384.261 2.992 20 0 GFADRO CN1CCC([NH+]2CCC(NC(=O)c3ccccc3Br)CC2)CC1 ZINC000050802332 551161774 /nfs/dbraw/zinc/16/17/74/551161774.db2.gz VMPOVQFWSXVIBG-UHFFFAOYSA-N 1 0 380.330 2.738 20 0 GFADRO CN1CCC([NH+]2CCC(NC(=O)c3ccc(Br)cc3)CC2)CC1 ZINC000050802489 551161788 /nfs/dbraw/zinc/16/17/88/551161788.db2.gz VSDULUSHVBKTOS-UHFFFAOYSA-N 1 0 380.330 2.738 20 0 GFADRO CCCNC(=O)[C@@H]1CCC[N@H+](C[C@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000050997966 551161827 /nfs/dbraw/zinc/16/18/27/551161827.db2.gz PICDRYBAMFFUQX-KGLIPLIRSA-N 1 0 389.323 2.971 20 0 GFADRO O=C(c1cc2c(c(Br)c1)OCO2)N1CCC([NH+]2CCCC2)CC1 ZINC000056983298 551178838 /nfs/dbraw/zinc/17/88/38/551178838.db2.gz XXZILHPRCFETHU-UHFFFAOYSA-N 1 0 381.270 2.878 20 0 GFADRO CC1CC[NH+](CCCCNC(=O)CS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000058309656 551183093 /nfs/dbraw/zinc/18/30/93/551183093.db2.gz OYHCRRYBUMWBMA-UHFFFAOYSA-N 1 0 386.945 2.742 20 0 GFADRO CN(C)S(=O)(=O)c1cc(NC(=O)C[N@H+](C)CC2CCCC2)ccc1Cl ZINC000064021427 551184744 /nfs/dbraw/zinc/18/47/44/551184744.db2.gz CKUWTWMFDRBHCO-UHFFFAOYSA-N 1 0 387.933 2.651 20 0 GFADRO COCCC[N@H+](C)[C@@H](C)C(=O)Nc1cccc(I)c1 ZINC000066378957 551186763 /nfs/dbraw/zinc/18/67/63/551186763.db2.gz ZMJZDUFVALHAOU-NSHDSACASA-N 1 0 376.238 2.587 20 0 GFADRO CCC[N@@H+]1CC[C@@H](CNC(=O)NCc2cc3c(c(Br)c2)OCO3)C1 ZINC000068310587 551191414 /nfs/dbraw/zinc/19/14/14/551191414.db2.gz GVFXBTVVCSMDIF-LBPRGKRZSA-N 1 0 398.301 2.709 20 0 GFADRO CC(C)c1n[nH]c(C(=O)N(CC[NH+](C)C)Cc2ccccn2)c1Br ZINC000068433860 551192098 /nfs/dbraw/zinc/19/20/98/551192098.db2.gz ACEILBHCSWCGSD-UHFFFAOYSA-N 1 0 394.317 2.895 20 0 GFADRO CC[NH+]1CCN(CCC(=O)NCC(C)(C)c2ccc(Br)cc2)CC1 ZINC000101643927 551197485 /nfs/dbraw/zinc/19/74/85/551197485.db2.gz PKTDECNPZGLDLI-UHFFFAOYSA-N 1 0 396.373 2.871 20 0 GFADRO CC[C@@H](C)[N@H+](C)CCNC(=O)[C@@H]1CSCN1C(=O)c1ccc(Cl)cc1 ZINC000104389317 551198666 /nfs/dbraw/zinc/19/86/66/551198666.db2.gz PGWGRCCEZJEPQB-CJNGLKHVSA-N 1 0 383.945 2.702 20 0 GFADRO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)C[N@H+](C[C@@H](C)O)C(C)C ZINC000107043891 551201452 /nfs/dbraw/zinc/20/14/52/551201452.db2.gz NCZKCCZUNOSMNJ-SNVBAGLBSA-N 1 0 377.268 2.810 20 0 GFADRO CN(C)CC[NH+]1CCC(CNC(=O)CSCc2cccc(Cl)c2)CC1 ZINC000114142714 551209141 /nfs/dbraw/zinc/20/91/41/551209141.db2.gz PPBIDQGDFASQHV-UHFFFAOYSA-N 1 0 383.989 2.963 20 0 GFADRO C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CCCO[C@H]1CCOC1 ZINC000119161365 551215493 /nfs/dbraw/zinc/21/54/93/551215493.db2.gz PEIUCAGXDCAJLS-BBRMVZONSA-N 1 0 385.302 2.951 20 0 GFADRO CC[NH+]1CCN([C@H]2CCN(C(=O)c3ccc(Br)c(C)c3)C2)CC1 ZINC000119150804 551215530 /nfs/dbraw/zinc/21/55/30/551215530.db2.gz YGFDFVAGARXCPD-INIZCTEOSA-N 1 0 380.330 2.610 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(Br)cc2C)[C@H](C)C1 ZINC000119679501 551218490 /nfs/dbraw/zinc/21/84/90/551218490.db2.gz AYSVNOVEZBARQN-CJNGLKHVSA-N 1 0 396.329 2.885 20 0 GFADRO CC(C)[C@@H](CNC(=O)CCc1cccc(Br)c1)[NH+]1CCN(C)CC1 ZINC000120367608 551220135 /nfs/dbraw/zinc/22/01/35/551220135.db2.gz LOMQUYTWUNZXSL-GOSISDBHSA-N 1 0 396.373 2.770 20 0 GFADRO C[NH2+]CCCNC(=O)c1nn(-c2cccc(Br)c2)c2c1CCCC2 ZINC000121385454 551233116 /nfs/dbraw/zinc/23/31/16/551233116.db2.gz CXLCSFKDLLBBII-UHFFFAOYSA-N 1 0 391.313 2.853 20 0 GFADRO CC[N@H+](CCNC(=O)c1cc(I)c(F)cc1F)C1CC1 ZINC000121869389 551244459 /nfs/dbraw/zinc/24/44/59/551244459.db2.gz RAFJUSWNGXJPJQ-UHFFFAOYSA-N 1 0 394.203 2.784 20 0 GFADRO CC(C)c1cc(Br)ccc1NC(=O)C(=O)NCC[N@@H+](C)C(C)C ZINC000121930239 551292796 /nfs/dbraw/zinc/29/27/96/551292796.db2.gz YYWPHHURISYVAU-UHFFFAOYSA-N 1 0 384.318 2.967 20 0 GFADRO Cc1ccc(NC(=O)C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)c(Br)c1 ZINC000122134078 551295061 /nfs/dbraw/zinc/29/50/61/551295061.db2.gz NCJYVZMXVZWEJV-CJNGLKHVSA-N 1 0 394.313 2.639 20 0 GFADRO CC(C)[C@H](CNC(=O)C(=O)Nc1cccc(Br)c1)[NH+]1CCCC1 ZINC000122807275 551301980 /nfs/dbraw/zinc/30/19/80/551301980.db2.gz VEDVGYGAFNFFEL-HNNXBMFYSA-N 1 0 382.302 2.624 20 0 GFADRO Cc1ccc(NC(=O)C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)cc1Br ZINC000123267703 551304413 /nfs/dbraw/zinc/30/44/13/551304413.db2.gz UMUKLSXKYIWKCY-CQSZACIVSA-N 1 0 394.313 2.640 20 0 GFADRO Cc1ccc(Br)c(NC(=O)C(=O)NCC[N@H+]2CCCC[C@H]2C)c1 ZINC000123377658 551305917 /nfs/dbraw/zinc/30/59/17/551305917.db2.gz QXQYSNNZDKNYFX-CYBMUJFWSA-N 1 0 382.302 2.687 20 0 GFADRO C[C@H]1C[C@@H](N(C)CC(=O)N(C)Cc2cc(Br)cs2)CC[N@@H+]1C ZINC000123369301 551305946 /nfs/dbraw/zinc/30/59/46/551305946.db2.gz FXLIVXJXGYXPJA-JSGCOSHPSA-N 1 0 388.375 2.884 20 0 GFADRO Cc1cc(S(=O)(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)sc1Br ZINC000123632490 551307767 /nfs/dbraw/zinc/30/77/67/551307767.db2.gz XENQHCNFKPJPAB-RYUDHWBXSA-N 1 0 393.372 2.972 20 0 GFADRO O=C(NCC[NH+]1CCCCC1)c1cc(F)c(F)cc1I ZINC000123878269 551309447 /nfs/dbraw/zinc/30/94/47/551309447.db2.gz DRGBZXFMJVMHEO-UHFFFAOYSA-N 1 0 394.203 2.785 20 0 GFADRO Cc1cc(N2CCC[C@@H]([NH2+][C@H](C)CC(=O)N(C)C)C2=O)ccc1Br ZINC000124114227 551310329 /nfs/dbraw/zinc/31/03/29/551310329.db2.gz NAFLKNGZHAANPY-CZUORRHYSA-N 1 0 396.329 2.709 20 0 GFADRO O=C([C@@H]1COc2ccc(Br)cc21)N1CCN(c2cc[nH+]cc2)CC1 ZINC000124404561 551314388 /nfs/dbraw/zinc/31/43/88/551314388.db2.gz BHUGRXJEYJYYKC-MRXNPFEDSA-N 1 0 388.265 2.669 20 0 GFADRO CC[C@H](C)[C@H](C)[N@H+](CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl)C1CC1 ZINC000127307202 551339652 /nfs/dbraw/zinc/33/96/52/551339652.db2.gz LRXCSJCOLIXVCT-RYUDHWBXSA-N 1 0 387.933 2.825 20 0 GFADRO C[C@H](CCS(C)(=O)=O)[NH2+][C@@H](C)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000127457354 551341139 /nfs/dbraw/zinc/34/11/39/551341139.db2.gz GEUUIFOODIKHGJ-CABCVRRESA-N 1 0 387.567 2.877 20 0 GFADRO C[C@@H]1C[NH+](CC2CCN(C(=O)c3cccnc3Br)CC2)C[C@@H](C)O1 ZINC000128318582 551349124 /nfs/dbraw/zinc/34/91/24/551349124.db2.gz SFDUMUUDGSRXRY-ZIAGYGMSSA-N 1 0 396.329 2.806 20 0 GFADRO Cc1nn(C)c(C)c1C[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000128331148 551349152 /nfs/dbraw/zinc/34/91/52/551349152.db2.gz ZGLGBZONBQTGIS-UHFFFAOYSA-N 1 0 393.329 2.926 20 0 GFADRO CCC[N@@H+](CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1)CC1CC1 ZINC000129429729 551357480 /nfs/dbraw/zinc/35/74/80/551357480.db2.gz WFWOZGPPEUJUEB-UHFFFAOYSA-N 1 0 387.933 2.651 20 0 GFADRO C[C@H]([NH2+]C[C@@H](O)COCC1CC1)c1ccc(I)cc1 ZINC000130003454 551360803 /nfs/dbraw/zinc/36/08/03/551360803.db2.gz WWTUXPOSSPZRDA-XHDPSFHLSA-N 1 0 375.250 2.729 20 0 GFADRO CC[N@@H+]1CC[C@@H](CNC(=O)c2c(F)cccc2I)C1 ZINC000129978242 551360921 /nfs/dbraw/zinc/36/09/21/551360921.db2.gz ZLIHGODYHQLDFX-JTQLQIEISA-N 1 0 376.213 2.502 20 0 GFADRO CCC(=O)N[C@H]1CCC[N@H+](C[C@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000130371743 551364505 /nfs/dbraw/zinc/36/45/05/551364505.db2.gz NPGRHOWUMOBOGJ-KBPBESRZSA-N 1 0 375.296 2.724 20 0 GFADRO CC(C)(C)c1n[nH]cc1C[NH2+]C[C@@H](O)COc1ccccc1Br ZINC000131043332 551371536 /nfs/dbraw/zinc/37/15/36/551371536.db2.gz IKBJNMPIONINSO-CYBMUJFWSA-N 1 0 382.302 2.999 20 0 GFADRO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CCNC(=O)C(C)(C)C ZINC000133575587 551383966 /nfs/dbraw/zinc/38/39/66/551383966.db2.gz ASXNOSXOGVXOCJ-GFCCVEGCSA-N 1 0 384.318 2.918 20 0 GFADRO C[N@H+](CC(=O)Nc1ccccc1I)[C@H](CO)C(C)(C)C ZINC000134440933 551385672 /nfs/dbraw/zinc/38/56/72/551385672.db2.gz DIQBAXPJYALKEW-CYBMUJFWSA-N 1 0 390.265 2.569 20 0 GFADRO COCCC[N@H+](C)CCNC(=O)CCc1cc(Br)ccc1F ZINC000135819262 551389316 /nfs/dbraw/zinc/38/93/16/551389316.db2.gz QXUSULMFXCCADM-UHFFFAOYSA-N 1 0 375.282 2.605 20 0 GFADRO O=C([C@H]1CC12CC[NH2+]CC2)N1CCO[C@@H](c2cccc(Br)c2)C1 ZINC000136994686 551390205 /nfs/dbraw/zinc/39/02/05/551390205.db2.gz RFLFUFUZYWXKLL-HZPDHXFCSA-N 1 0 379.298 2.739 20 0 GFADRO CC[N@@H+]1CCCN(C(=O)c2ccnc(Cl)c2I)CC1 ZINC000136999923 551390527 /nfs/dbraw/zinc/39/05/27/551390527.db2.gz DDZOMNDQLARXSS-UHFFFAOYSA-N 1 0 393.656 2.507 20 0 GFADRO C[N@@H+]1CCC[C@@H]1CNC(=O)NCCNc1ncc(C(F)(F)F)cc1Cl ZINC000139611027 551392474 /nfs/dbraw/zinc/39/24/74/551392474.db2.gz NNQJITGMXAGYJH-LLVKDONJSA-N 1 0 379.814 2.559 20 0 GFADRO C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000141561449 551394268 /nfs/dbraw/zinc/39/42/68/551394268.db2.gz XAHKUEAYGUCPAI-CHWSQXEVSA-N 1 0 384.307 2.808 20 0 GFADRO Cc1c(C(=O)Nc2cccc(Br)c2C)nnn1C1CC[NH2+]CC1 ZINC000150950658 551404325 /nfs/dbraw/zinc/40/43/25/551404325.db2.gz JIAKLKGEQCLQRO-UHFFFAOYSA-N 1 0 378.274 2.834 20 0 GFADRO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CCCN1CCC(O)CC1 ZINC000151355412 551411914 /nfs/dbraw/zinc/41/19/14/551411914.db2.gz KUTQALFUKYUQKE-CQSZACIVSA-N 1 0 398.345 2.603 20 0 GFADRO CC(C)COC[C@H](O)C[NH2+][C@H](C)c1ccc(I)cc1 ZINC000151455384 551413854 /nfs/dbraw/zinc/41/38/54/551413854.db2.gz SHTSFCHIMQVSLE-IUODEOHRSA-N 1 0 377.266 2.975 20 0 GFADRO Cc1cc(S(=O)(=O)N2CC[C@H](C[NH+]3CCCC3)C2)ccc1Br ZINC000151623898 551418395 /nfs/dbraw/zinc/41/83/95/551418395.db2.gz KNZZZOQPNWEHCN-CQSZACIVSA-N 1 0 387.343 2.864 20 0 GFADRO CC(C)[NH2+]CCCNC(=O)c1cc(F)c(F)cc1I ZINC000151760584 551420623 /nfs/dbraw/zinc/42/06/23/551420623.db2.gz LKTOZUXSSHVIEF-UHFFFAOYSA-N 1 0 382.192 2.687 20 0 GFADRO Cc1cc(Br)ccc1C[NH2+]C1CCN(C(=O)c2cnccn2)CC1 ZINC000152099124 551426250 /nfs/dbraw/zinc/42/62/50/551426250.db2.gz VCFNXJVEYSZTBQ-UHFFFAOYSA-N 1 0 389.297 2.942 20 0 GFADRO [NH3+][C@H]1CCC[C@@H](C(=O)N2CCN(C(=O)c3c(Cl)cccc3Cl)CC2)C1 ZINC000152586264 551436087 /nfs/dbraw/zinc/43/60/87/551436087.db2.gz IHFQHXSPJHVOPZ-OLZOCXBDSA-N 1 0 384.307 2.795 20 0 GFADRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1ccc(Br)cc1O ZINC000152842251 551441009 /nfs/dbraw/zinc/44/10/09/551441009.db2.gz XAEUUDQGSSDFTL-CVEARBPZSA-N 1 0 397.313 2.652 20 0 GFADRO CCSCC[C@H](C)[NH2+][C@H](C)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000152863057 551441754 /nfs/dbraw/zinc/44/17/54/551441754.db2.gz BPIMUNKOQRGNMK-JKSUJKDBSA-N 1 0 386.583 2.890 20 0 GFADRO Cc1ccc(Br)c(NC(=O)C(=O)NCCC2CC[NH+](C)CC2)c1 ZINC000153242402 551448983 /nfs/dbraw/zinc/44/89/83/551448983.db2.gz SJVQQCOKTJTBTK-UHFFFAOYSA-N 1 0 382.302 2.544 20 0 GFADRO COc1cc(C(=O)N(CC[NH+](C)C)Cc2ccc(Br)cc2)on1 ZINC000153247149 551449029 /nfs/dbraw/zinc/44/90/29/551449029.db2.gz ONPPTDVWHYKJGL-UHFFFAOYSA-N 1 0 382.258 2.650 20 0 GFADRO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)c2cc(Cl)c(N)c(Cl)c2)CC1 ZINC000153515686 551454455 /nfs/dbraw/zinc/45/44/55/551454455.db2.gz TYQCYSDONJXBSU-CQSZACIVSA-N 1 0 385.339 2.818 20 0 GFADRO CN(C(=O)c1cnc(Sc2nccn2C)c(Cl)c1)[C@H]1CCC[N@H+](C)C1 ZINC000153852904 551461733 /nfs/dbraw/zinc/46/17/33/551461733.db2.gz OCBDGSCPSSEPJP-ZDUSSCGKSA-N 1 0 379.917 2.786 20 0 GFADRO CC[NH+]1CCN([C@@H]2CCN(Cc3cc(Br)cc4c3OCC4)C2)CC1 ZINC000153856312 551462042 /nfs/dbraw/zinc/46/20/42/551462042.db2.gz NPYSEBQYHXMSAM-GOSISDBHSA-N 1 0 394.357 2.596 20 0 GFADRO COCC[NH+]1CCC(NC(=O)NC2(c3cccc(Br)c3)CC2)CC1 ZINC000154169703 551469048 /nfs/dbraw/zinc/46/90/48/551469048.db2.gz DUZANYQKHAGEGW-UHFFFAOYSA-N 1 0 396.329 2.848 20 0 GFADRO C[C@H]([NH2+]CCNc1ncc(Cl)cc1Cl)c1ccc(S(N)(=O)=O)cc1 ZINC000154214278 551470087 /nfs/dbraw/zinc/47/00/87/551470087.db2.gz QVANEKJTTOMADC-JTQLQIEISA-N 1 0 389.308 2.799 20 0 GFADRO CC(C)C[C@@H]([NH3+])C(=O)N1CCC(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000154385137 551473651 /nfs/dbraw/zinc/47/36/51/551473651.db2.gz JBIWRICMMDQRNP-MRXNPFEDSA-N 1 0 396.329 3.000 20 0 GFADRO CC[N@H+](Cc1ccc(Cl)c(Cl)c1)[C@H](C)C(=O)N1CCC(C(N)=O)CC1 ZINC000154412730 551474664 /nfs/dbraw/zinc/47/46/64/551474664.db2.gz JNZJVXHHJHGNHC-GFCCVEGCSA-N 1 0 386.323 2.928 20 0 GFADRO O=C(NCC[NH+]1CCCCC1)C(=O)Nc1ccc(Cl)c(Br)c1 ZINC000154434246 551475213 /nfs/dbraw/zinc/47/52/13/551475213.db2.gz VSLMXSJYIGCOMD-UHFFFAOYSA-N 1 0 388.693 2.643 20 0 GFADRO CC[NH+]1CCN([C@H](C)CNC(=O)[C@@H](C)Cc2ccc(Br)cc2)CC1 ZINC000154694886 551480789 /nfs/dbraw/zinc/48/07/89/551480789.db2.gz DVAFZXWUMDDQQB-JKSUJKDBSA-N 1 0 396.373 2.770 20 0 GFADRO O=C(NCc1cc(F)ccc1Br)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC000154786707 551482918 /nfs/dbraw/zinc/48/29/18/551482918.db2.gz HJFAUEKYENFMHG-INIZCTEOSA-N 1 0 385.277 2.848 20 0 GFADRO OCCCOC1CC[NH+](C[C@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000154829772 551483967 /nfs/dbraw/zinc/48/39/67/551483967.db2.gz HCFSUWGJYDTJCX-ZDUSSCGKSA-N 1 0 378.296 2.597 20 0 GFADRO O=C(NCCOc1cccc(Br)c1)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC000154839625 551484459 /nfs/dbraw/zinc/48/44/59/551484459.db2.gz DOGOKUGHXJUSAK-QGZVFWFLSA-N 1 0 397.313 2.588 20 0 GFADRO C[C@H](Cn1cc(Br)cn1)[NH2+]Cc1cccc(N2CCCC2=O)c1 ZINC000155287199 551496745 /nfs/dbraw/zinc/49/67/45/551496745.db2.gz LHLOMQBXOLODMJ-CYBMUJFWSA-N 1 0 377.286 2.951 20 0 GFADRO [NH3+][C@H](Cc1ccccc1)C(=O)N1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000155320177 551497108 /nfs/dbraw/zinc/49/71/08/551497108.db2.gz NOGJZFVXKSVNTL-QZTJIDSGSA-N 1 0 389.293 2.919 20 0 GFADRO C[N@H+](CC(=O)N[C@@H]1CCN(c2ccccc2Br)C1)[C@@H]1CCSC1 ZINC000155369918 551498651 /nfs/dbraw/zinc/49/86/51/551498651.db2.gz YFRMOIHEFZMFCY-ZIAGYGMSSA-N 1 0 398.370 2.581 20 0 GFADRO O=C(CCC1CC[NH2+]CC1)NCc1nnc(-c2ccc(Br)cc2)[nH]1 ZINC000155408017 551499030 /nfs/dbraw/zinc/49/90/30/551499030.db2.gz NGIZHCIXVMNCBJ-UHFFFAOYSA-N 1 0 392.301 2.630 20 0 GFADRO CC(C)C[C@H](C[NH3+])NC(=O)c1nn(-c2ccc(F)cc2)cc1Br ZINC000155525310 551501613 /nfs/dbraw/zinc/50/16/13/551501613.db2.gz XROPJQAQLASYKR-GFCCVEGCSA-N 1 0 383.265 2.877 20 0 GFADRO C[NH+]1CCC(CCNS(=O)(=O)c2cc(F)ccc2Br)CC1 ZINC000155788888 551507425 /nfs/dbraw/zinc/50/74/25/551507425.db2.gz YKPGTFQEWVYTNW-UHFFFAOYSA-N 1 0 379.295 2.598 20 0 GFADRO O=C(CC[NH+]1CCC(Cn2ccnn2)CC1)Nc1ccccc1Br ZINC000155823450 551508556 /nfs/dbraw/zinc/50/85/56/551508556.db2.gz NZXDSTIYKFCOLW-UHFFFAOYSA-N 1 0 392.301 2.781 20 0 GFADRO O=S(=O)(N[C@@H]1CC[N@@H+](C2CCCC2)C1)c1cc(F)ccc1Br ZINC000156004945 551512549 /nfs/dbraw/zinc/51/25/49/551512549.db2.gz KLHUEBZYIWOMRJ-GFCCVEGCSA-N 1 0 391.306 2.883 20 0 GFADRO CC[N@H+](CCNC(=O)C(=O)Nc1ccc(Cl)cc1Br)C1CC1 ZINC000156115623 551514886 /nfs/dbraw/zinc/51/48/86/551514886.db2.gz JKRNKMRRTHITPX-UHFFFAOYSA-N 1 0 388.693 2.642 20 0 GFADRO Cc1cccc(S(=O)(=O)N2CC[C@H](C[NH+]3CCCC3)C2)c1Br ZINC000156333485 551520689 /nfs/dbraw/zinc/52/06/89/551520689.db2.gz IPPDHYBFXYMTLA-CQSZACIVSA-N 1 0 387.343 2.864 20 0 GFADRO COC1(C(=O)N2CCO[C@H](c3cc(F)c(Cl)cc3Cl)C2)CC[NH2+]CC1 ZINC000156707428 551527340 /nfs/dbraw/zinc/52/73/40/551527340.db2.gz CQZKFOXAAJXPEV-HNNXBMFYSA-N 1 0 391.270 2.801 20 0 GFADRO COc1cc(OC)c(CC[NH2+][C@@H](C)Cn2cc(Br)cn2)c(OC)c1 ZINC000157114145 551533084 /nfs/dbraw/zinc/53/30/84/551533084.db2.gz ISLIJEGGSBVTRU-LBPRGKRZSA-N 1 0 398.301 2.892 20 0 GFADRO O=C(CC[NH+]1CCC(n2cncn2)CC1)Nc1ccc(Br)cc1F ZINC000157766571 551542262 /nfs/dbraw/zinc/54/22/62/551542262.db2.gz SEVGYHMMQYMQGC-UHFFFAOYSA-N 1 0 396.264 2.845 20 0 GFADRO C[N@H+](CC(=O)NC[C@H]1CCCO1)CC1(c2ccc(Br)cc2)CC1 ZINC000158096446 551546965 /nfs/dbraw/zinc/54/69/65/551546965.db2.gz WDJJFIGNCLOJQO-MRXNPFEDSA-N 1 0 381.314 2.708 20 0 GFADRO C[C@@H](Cc1ccc(Br)cc1)C(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000158231622 551548525 /nfs/dbraw/zinc/54/85/25/551548525.db2.gz VQJINTJGCPAYAU-MAUKXSAKSA-N 1 0 397.357 2.837 20 0 GFADRO CN(CC[NH+](C)C)C(=O)Nc1ccnn1Cc1ccc(Br)cc1 ZINC000158268223 551549616 /nfs/dbraw/zinc/54/96/16/551549616.db2.gz GBCXQAGILPVYHE-UHFFFAOYSA-N 1 0 380.290 2.719 20 0 GFADRO CC[NH+](CC)Cc1ccc(CNC(=O)c2csc(S(C)(=O)=O)c2)cc1 ZINC000158319119 551549991 /nfs/dbraw/zinc/54/99/91/551549991.db2.gz SFQKVKSIOSIFAJ-UHFFFAOYSA-N 1 0 380.535 2.923 20 0 GFADRO Cc1nc(C(=O)N2CC[C@]3(CC[NH2+]C3)C2)nn1-c1c(Cl)cccc1Cl ZINC000158544320 551553249 /nfs/dbraw/zinc/55/32/49/551553249.db2.gz OCHRNNANAXHMEF-KRWDZBQOSA-N 1 0 380.279 2.708 20 0 GFADRO C[N@H+]1[C@@H]2CC[C@H]1CCN(C(=O)c1ccc(F)c(I)c1)C2 ZINC000158574331 551554016 /nfs/dbraw/zinc/55/40/16/551554016.db2.gz QLRRHOBXEXIZNY-NWDGAFQWSA-N 1 0 388.224 2.739 20 0 GFADRO CC[NH+]1CCN([C@@H](C)CNC(=O)[C@@H](C)c2ccc(Br)cc2)CC1 ZINC000158885797 551557693 /nfs/dbraw/zinc/55/76/93/551557693.db2.gz UCDBNMHNKBFZAQ-GJZGRUSLSA-N 1 0 382.346 2.695 20 0 GFADRO C[C@H](CCn1cccn1)[NH2+]Cc1nnc(-c2ccc(Br)cc2)[nH]1 ZINC000159090044 551560936 /nfs/dbraw/zinc/56/09/36/551560936.db2.gz RCLDSBOCFYKANW-GFCCVEGCSA-N 1 0 375.274 2.999 20 0 GFADRO O=C(NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1ccc(Br)cc1 ZINC000159230447 551562521 /nfs/dbraw/zinc/56/25/21/551562521.db2.gz FNHQDKRECZOPMO-GOSISDBHSA-N 1 0 389.293 2.598 20 0 GFADRO O=C([C@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000159292318 551563111 /nfs/dbraw/zinc/56/31/11/551563111.db2.gz XMWLDWMKIICEGA-SGTLLEGYSA-N 1 0 382.291 2.558 20 0 GFADRO O=C(NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1nc(Cl)ccc1Cl ZINC000159355856 551563941 /nfs/dbraw/zinc/56/39/41/551563941.db2.gz XTPCZTZHAHEBSO-CQSZACIVSA-N 1 0 380.275 2.537 20 0 GFADRO O=C(N[C@H]1CCN(c2ccccc2Br)C1)[C@@H]1CCn2ccnc2C1 ZINC000161586833 551596054 /nfs/dbraw/zinc/59/60/54/551596054.db2.gz YCLZDSNYMNYCSB-KGLIPLIRSA-N 1 0 389.297 2.603 20 0 GFADRO O=S(=O)(NCCCC[N@H+]1CCC[C@H]1CO)c1cccc(Cl)c1Cl ZINC000161739441 551598327 /nfs/dbraw/zinc/59/83/27/551598327.db2.gz DAYRBKHEDQSHJX-LBPRGKRZSA-N 1 0 381.325 2.509 20 0 GFADRO CC(C)[NH+](CCNS(=O)(=O)c1ccc(Br)cc1F)C(C)C ZINC000161945828 551600942 /nfs/dbraw/zinc/60/09/42/551600942.db2.gz ZFTLKDAUZLCTOS-UHFFFAOYSA-N 1 0 381.311 2.985 20 0 GFADRO CC[NH+]1CCC(CNS(=O)(=O)c2ccc(Br)cc2F)CC1 ZINC000162021518 551602512 /nfs/dbraw/zinc/60/25/12/551602512.db2.gz JANMCXFSCQAODV-UHFFFAOYSA-N 1 0 379.295 2.598 20 0 GFADRO O=C(NC[C@@H]1CCC[NH2+]C1)Nc1ccc(F)cc1I ZINC000415248912 563763718 /nfs/dbraw/zinc/76/37/18/563763718.db2.gz IAOAZYGMDUDFEC-SECBINFHSA-N 1 0 377.201 2.551 20 0 GFADRO C[C@@H]([NH2+]CCNS(=O)(=O)Cc1ccon1)c1cc(Cl)ccc1Cl ZINC000162428569 551608538 /nfs/dbraw/zinc/60/85/38/551608538.db2.gz FSDWZJOOWPVPBL-SNVBAGLBSA-N 1 0 378.281 2.752 20 0 GFADRO CN(C[C@@H]1CCC[N@H+](C)C1)S(=O)(=O)c1cc(F)c(Br)cc1F ZINC000162573010 551610370 /nfs/dbraw/zinc/61/03/70/551610370.db2.gz XAWDZGRNFFVDKQ-SNVBAGLBSA-N 1 0 397.285 2.690 20 0 GFADRO C[C@H]([NH2+]C[C@H](O)COc1ccc(Cl)cc1Br)[C@H]1CCOC1 ZINC000162657249 551610787 /nfs/dbraw/zinc/61/07/87/551610787.db2.gz JLGGESJMQZAAHC-GVXVVHGQSA-N 1 0 378.694 2.857 20 0 GFADRO CC(C)CN(CC[NH+](C)C)C(=O)C(=O)Nc1c(F)cccc1Br ZINC000162784538 551612696 /nfs/dbraw/zinc/61/26/96/551612696.db2.gz VAJFNEVBTGNKOQ-UHFFFAOYSA-N 1 0 388.281 2.573 20 0 GFADRO [NH3+]CC1(C(=O)N2CCN(Cc3ccc(Br)s3)CC2)CCCC1 ZINC000163660062 551621217 /nfs/dbraw/zinc/62/12/17/551621217.db2.gz QRABHXUCZCUXQS-UHFFFAOYSA-N 1 0 386.359 2.674 20 0 GFADRO C[C@@H](C(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1)c1ccc(Br)cc1 ZINC000163695329 551621387 /nfs/dbraw/zinc/62/13/87/551621387.db2.gz IVVGDYIIANFYRC-CABCVRRESA-N 1 0 381.314 2.733 20 0 GFADRO C[C@@H]1CCCN1C(=O)CC[NH+]1CCN(Cc2ccc(Br)cc2)CC1 ZINC000163936746 551622882 /nfs/dbraw/zinc/62/28/82/551622882.db2.gz JLMHWZDINHUBOJ-MRXNPFEDSA-N 1 0 394.357 2.968 20 0 GFADRO CC(C)(C)[C@H]([NH3+])C(=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000164002533 551623629 /nfs/dbraw/zinc/62/36/29/551623629.db2.gz AYTTXQNVXNKTHL-GFCCVEGCSA-N 1 0 378.826 2.776 20 0 GFADRO COc1ccc([C@H](C)[NH2+][C@@H](C(=O)N2CCOCC2)C(C)C)cc1Br ZINC000164840807 551627710 /nfs/dbraw/zinc/62/77/10/551627710.db2.gz QZMSWIUXKGMSNA-SUMWQHHRSA-N 1 0 399.329 2.992 20 0 GFADRO C[C@H](Cn1cc(Br)cn1)[NH2+]CCNC(=O)c1ccccc1Cl ZINC000165513008 551629645 /nfs/dbraw/zinc/62/96/45/551629645.db2.gz NOKKSRBCZSJZMZ-LLVKDONJSA-N 1 0 385.693 2.707 20 0 GFADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)c2ccc(C)cc2Br)CC1 ZINC000169173649 551634839 /nfs/dbraw/zinc/63/48/39/551634839.db2.gz SURNWQBJOJUJMX-HNNXBMFYSA-N 1 0 382.346 2.761 20 0 GFADRO COCCC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(Cl)cc2Cl)CC1 ZINC000170708841 551638109 /nfs/dbraw/zinc/63/81/09/551638109.db2.gz RVJSSUVMFFUWKY-UHFFFAOYSA-N 1 0 388.295 2.549 20 0 GFADRO COCCC[NH+]1CCC(NC(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)CC1 ZINC000170708846 551638162 /nfs/dbraw/zinc/63/81/62/551638162.db2.gz KEXSBZLMNSSPSR-UHFFFAOYSA-N 1 0 388.295 2.549 20 0 GFADRO COCC[N@H+](C)CCNC(=O)C1(c2cccc(Br)c2)CCCC1 ZINC000171138667 551648711 /nfs/dbraw/zinc/64/87/11/551648711.db2.gz YYLHSEISJKUGER-UHFFFAOYSA-N 1 0 383.330 2.955 20 0 GFADRO COCC[NH+]1CCC(NC(=O)N[C@H](C)Cc2cccc(Br)c2)CC1 ZINC000171190206 551649202 /nfs/dbraw/zinc/64/92/02/551649202.db2.gz WWJJGWDACOAVLK-CQSZACIVSA-N 1 0 398.345 2.790 20 0 GFADRO C[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)NCC(=O)Nc1ccccc1Br ZINC000171414677 551655356 /nfs/dbraw/zinc/65/53/56/551655356.db2.gz JVBJANHLYUXZNU-OCCSQVGLSA-N 1 0 382.302 2.672 20 0 GFADRO C[C@H](NC(=O)NCC1CC[NH+](CCO)CC1)c1ccc(Br)cc1 ZINC000171897920 551666442 /nfs/dbraw/zinc/66/64/42/551666442.db2.gz MIDSHRWFKRDIEJ-ZDUSSCGKSA-N 1 0 384.318 2.514 20 0 GFADRO Brc1cc(CN2CCC[C@@H](C[NH+]3CCOCC3)C2)cc2c1OCO2 ZINC000171961477 551667540 /nfs/dbraw/zinc/66/75/40/551667540.db2.gz WUMXJOMTCDCESX-AWEZNQCLSA-N 1 0 397.313 2.722 20 0 GFADRO O=C(NCCC[NH+]1CCCCC1)c1cc(=O)[nH]c2ccc(Br)cc21 ZINC000172326951 551676768 /nfs/dbraw/zinc/67/67/68/551676768.db2.gz GLOAVNCHJCJDQF-UHFFFAOYSA-N 1 0 392.297 2.896 20 0 GFADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCc2cccc(Br)c2C1 ZINC000172477274 551679988 /nfs/dbraw/zinc/67/99/88/551679988.db2.gz XTXLOKBNHHQQRO-HNNXBMFYSA-N 1 0 396.329 2.628 20 0 GFADRO C[NH+](C)C[C@H]1CCN(c2ncnc3ccc(I)cc32)C1 ZINC000172760175 551686315 /nfs/dbraw/zinc/68/63/15/551686315.db2.gz SQGIOVOFTIERQZ-LLVKDONJSA-N 1 0 382.249 2.622 20 0 GFADRO C[C@H](Oc1cccc(Br)c1)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000172914638 551690379 /nfs/dbraw/zinc/69/03/79/551690379.db2.gz UEVDMVCFTADQTF-LBPRGKRZSA-N 1 0 381.274 2.613 20 0 GFADRO CC1CC[NH+]([C@H](CNS(=O)(=O)CC2CCOCC2)c2cccs2)CC1 ZINC000172978461 551691235 /nfs/dbraw/zinc/69/12/35/551691235.db2.gz CWGBMXXLWFLVOL-QGZVFWFLSA-N 1 0 386.583 2.867 20 0 GFADRO C[C@H](CNS(=O)(=O)c1ccc(Br)c(F)c1)C[NH+]1CCCC1 ZINC000173047506 551693865 /nfs/dbraw/zinc/69/38/65/551693865.db2.gz RILGVTHRYXYAFC-LLVKDONJSA-N 1 0 379.295 2.598 20 0 GFADRO Cc1ccc(NC(=O)C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1Br ZINC000173459039 552085607 /nfs/dbraw/zinc/08/56/07/552085607.db2.gz GWJLSASDPYANTL-GOOCMWNKSA-N 1 0 394.313 2.828 20 0 GFADRO O=C(COc1cc(Cl)cc(Cl)c1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000173540252 552087756 /nfs/dbraw/zinc/08/77/56/552087756.db2.gz MRRKEEXFHUXOPQ-UHFFFAOYSA-N 1 0 387.307 2.943 20 0 GFADRO Cc1cc(Cl)ccc1S(=O)(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000173853024 552094387 /nfs/dbraw/zinc/09/43/87/552094387.db2.gz QSTAMXSIQRMFQH-UHFFFAOYSA-N 1 0 386.945 2.914 20 0 GFADRO C[NH+](C)CCN1CCC(NC(=O)Nc2ccc(Br)c(F)c2)CC1 ZINC000173980097 552096398 /nfs/dbraw/zinc/09/63/98/552096398.db2.gz YCBIXGGIEJRRNN-UHFFFAOYSA-N 1 0 387.297 2.736 20 0 GFADRO C[C@@H](Oc1ccc(Cl)c(Cl)c1)C(=O)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000174185838 552102009 /nfs/dbraw/zinc/10/20/09/552102009.db2.gz DRPOZPRPQSTITR-ZIAGYGMSSA-N 1 0 387.307 2.941 20 0 GFADRO CCC[N@H+](CC)CCNC(=O)c1cc(=O)c2cc(Br)ccc2[nH]1 ZINC000174662482 552107943 /nfs/dbraw/zinc/10/79/43/552107943.db2.gz JIIWTOUUGJAUMR-UHFFFAOYSA-N 1 0 380.286 2.752 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@@H](NS(=O)(=O)c2cc(Br)ccc2F)C1 ZINC000175078818 552115434 /nfs/dbraw/zinc/11/54/34/552115434.db2.gz YJINTSXTCBYDLM-VXGBXAGGSA-N 1 0 379.295 2.739 20 0 GFADRO C[S@](=O)c1ccc(NC(=O)NCC2([NH+]3CCSCC3)CCCC2)cc1 ZINC000175732463 552128030 /nfs/dbraw/zinc/12/80/30/552128030.db2.gz RTLLWITVLZKFRP-VWLOTQADSA-N 1 0 381.567 2.907 20 0 GFADRO O=C(CCc1ccccc1Br)N1CC[NH+](C2CCOCC2)CC1 ZINC000175862551 552130393 /nfs/dbraw/zinc/13/03/93/552130393.db2.gz OYVOQXXNKJNEGC-UHFFFAOYSA-N 1 0 381.314 2.705 20 0 GFADRO O=C(Nc1nc(-c2cccs2)cs1)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000175993478 552133871 /nfs/dbraw/zinc/13/38/71/552133871.db2.gz GYJPBEPCXYIQCI-LBPRGKRZSA-N 1 0 376.507 2.507 20 0 GFADRO CC[S@@](=O)[C@@H]1CCC[C@H](NC(=O)N(CC[NH+](C)C)Cc2cccs2)C1 ZINC000176581334 552142065 /nfs/dbraw/zinc/14/20/65/552142065.db2.gz UPCTWGBVAPPAGZ-KBUMFOBPSA-N 1 0 385.599 2.901 20 0 GFADRO COCCC[N@H+](C)CCNC(=O)NCC1(c2cccc(Br)c2)CC1 ZINC000176808343 552146320 /nfs/dbraw/zinc/14/63/20/552146320.db2.gz GSIMTYDVKCLQBK-UHFFFAOYSA-N 1 0 398.345 2.748 20 0 GFADRO C[N@@H+]1CCC[C@H](CNC(=O)NCC[S@](=O)C(C)(C)C)[C@H]1c1cccs1 ZINC000176851400 552147366 /nfs/dbraw/zinc/14/73/66/552147366.db2.gz DWVBMAQCGFKKCV-YHSMVDSJSA-N 1 0 385.599 2.977 20 0 GFADRO C[NH+](C)CCN(Cc1cccs1)C(=O)Nc1ccc(S(C)(=O)=O)cc1 ZINC000176869237 552147955 /nfs/dbraw/zinc/14/79/55/552147955.db2.gz PMFMFCZNVWEYGA-UHFFFAOYSA-N 1 0 381.523 2.747 20 0 GFADRO C[NH+](C)C1CCN(CCNC(=O)[C@@H]2C[C@H]2c2ccc(Br)cc2)CC1 ZINC000177157956 552150637 /nfs/dbraw/zinc/15/06/37/552150637.db2.gz TWURGPIJAUIOGQ-ZWKOTPCHSA-N 1 0 394.357 2.695 20 0 GFADRO C[C@H]([N@H+](C)CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1)C1(C)CC1 ZINC000177245567 552152115 /nfs/dbraw/zinc/15/21/15/552152115.db2.gz YOJNVAFMBJGLPD-LBPRGKRZSA-N 1 0 387.933 2.649 20 0 GFADRO Cn1cc(Br)cc(NC(=O)NCC(C)(C)[NH+]2CCCCC2)c1=O ZINC000177978675 552162091 /nfs/dbraw/zinc/16/20/91/552162091.db2.gz NOGFFXJKVLZPPR-UHFFFAOYSA-N 1 0 385.306 2.534 20 0 GFADRO C[C@@H]([NH3+])c1ccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccs2)cc1 ZINC000178188895 552166890 /nfs/dbraw/zinc/16/68/90/552166890.db2.gz JRZOFDWLDKSEOJ-DOMZBBRYSA-N 1 0 379.507 2.560 20 0 GFADRO C[C@@H]([NH2+]CCNC(=O)c1ccco1)c1ccc(I)cc1 ZINC000178492417 552171418 /nfs/dbraw/zinc/17/14/18/552171418.db2.gz FAFVMONOAOQKGT-LLVKDONJSA-N 1 0 384.217 2.965 20 0 GFADRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3n[nH]c4ccc(Br)cc43)CC[C@@H]21 ZINC000178573115 552172527 /nfs/dbraw/zinc/17/25/27/552172527.db2.gz SSXLRIWKFGFSKQ-NHYWBVRUSA-N 1 0 377.286 2.882 20 0 GFADRO O=C(Nc1cccc(C(=O)NC[C@H]2CCC[NH2+]2)c1)c1ccc(Br)o1 ZINC000178729227 552174398 /nfs/dbraw/zinc/17/43/98/552174398.db2.gz HYIXYKVQDDBRFN-CYBMUJFWSA-N 1 0 392.253 2.776 20 0 GFADRO Cc1cc(I)ccc1NC(=O)C[N@H+](C)C[C@H]1CCOC1 ZINC000178772265 552174882 /nfs/dbraw/zinc/17/48/82/552174882.db2.gz PMOWAXLKPALKJV-GFCCVEGCSA-N 1 0 388.249 2.506 20 0 GFADRO O=C(CCCCc1ccc(I)cc1)NC[C@@H]1CCC[NH2+]1 ZINC000178780683 552175055 /nfs/dbraw/zinc/17/50/55/552175055.db2.gz MQUWSPPVGOLMMX-HNNXBMFYSA-N 1 0 386.277 2.872 20 0 GFADRO C[C@H](C(=O)Nc1cccc(Cl)c1Cl)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000178832111 552176454 /nfs/dbraw/zinc/17/64/54/552176454.db2.gz BATGYMXHRWMJJB-ZIAGYGMSSA-N 1 0 386.323 2.975 20 0 GFADRO COC[C@H]1CN(Cc2ccnc(-c3ccc(Br)cc3)n2)CCO1 ZINC000178864117 552177670 /nfs/dbraw/zinc/17/76/70/552177670.db2.gz XVOCCTQYSVLEPY-MRXNPFEDSA-N 1 0 378.270 2.753 20 0 GFADRO C[C@@H]([NH3+])C1CCN(C(=O)[C@H]2CC(=O)N(c3cc(Cl)cc(Cl)c3)C2)CC1 ZINC000178870280 552178055 /nfs/dbraw/zinc/17/80/55/552178055.db2.gz QOMMHTSTXVIDTI-YPMHNXCESA-N 1 0 384.307 2.932 20 0 GFADRO CCCN(C(=O)c1ccc(F)cc1I)[C@H]1CC[NH2+]C1 ZINC000178932332 552179572 /nfs/dbraw/zinc/17/95/72/552179572.db2.gz VRYSXRGDEZISML-NSHDSACASA-N 1 0 376.213 2.644 20 0 GFADRO C[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)C1 ZINC000178964153 552180909 /nfs/dbraw/zinc/18/09/09/552180909.db2.gz OEBYXPIPAUWQHM-BLLLJJGKSA-N 1 0 384.307 2.666 20 0 GFADRO CCOc1cc(Br)c(CC(=O)N(C)[C@@H]2CC[NH2+]C2)cc1OCC ZINC000179055430 552183452 /nfs/dbraw/zinc/18/34/52/552183452.db2.gz LCXPIJSRDSWXGQ-CYBMUJFWSA-N 1 0 385.302 2.609 20 0 GFADRO COc1ccc(OCCN[C@@H](C(N)=O)c2cccc(Br)c2)cc1 ZINC000179215724 552187476 /nfs/dbraw/zinc/18/74/76/552187476.db2.gz PHOHPADFXFRWLM-MRXNPFEDSA-N 1 0 379.254 2.653 20 0 GFADRO Cc1ccc(Br)c(NC(=O)C(=O)NC2CC[NH+](CC3CC3)CC2)c1 ZINC000179345702 552190488 /nfs/dbraw/zinc/19/04/88/552190488.db2.gz ICWXLUKBGOSZKO-UHFFFAOYSA-N 1 0 394.313 2.687 20 0 GFADRO C[C@@H]([NH2+]C[C@@H](c1ccccc1Cl)N(C)C)c1ccc(S(N)(=O)=O)cc1 ZINC000179973072 552208498 /nfs/dbraw/zinc/20/84/98/552208498.db2.gz JGVHXQMDKMUKJB-ACJLOTCBSA-N 1 0 381.929 2.941 20 0 GFADRO CC(C)(O)C[NH+]1CCN(C(=O)Nc2ccc(Cl)c(OC(F)F)c2)CC1 ZINC000180121509 552214006 /nfs/dbraw/zinc/21/40/06/552214006.db2.gz DHAJQNKHZSMMNC-UHFFFAOYSA-N 1 0 377.819 2.862 20 0 GFADRO O=C(C[C@H](O)c1cc(Cl)cc(Cl)c1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000180131384 552214426 /nfs/dbraw/zinc/21/44/26/552214426.db2.gz INLSOKNBFXTQII-DYVFJYSZSA-N 1 0 387.307 2.598 20 0 GFADRO O=C(NCc1ccccc1C[N@H+]1CCC[C@H]1CO)c1coc(Br)c1 ZINC000180478713 552227458 /nfs/dbraw/zinc/22/74/58/552227458.db2.gz LBDGZZXHIKZISZ-INIZCTEOSA-N 1 0 393.281 2.929 20 0 GFADRO Cc1nc(C(C)C)sc1[C@@H](C)[NH2+]CCS(=O)(=O)NC[C@H]1CCCCO1 ZINC000180746129 552234621 /nfs/dbraw/zinc/23/46/21/552234621.db2.gz CCLVGFYCAPNPNN-UKRRQHHQSA-N 1 0 389.587 2.714 20 0 GFADRO C[NH+](C)C[C@@](C)(O)CNC(=O)c1ccc(Br)cc1C(F)(F)F ZINC000180778027 552235580 /nfs/dbraw/zinc/23/55/80/552235580.db2.gz DGAQIWBVMHLVOO-ZDUSSCGKSA-N 1 0 383.208 2.510 20 0 GFADRO CCS(=O)(=O)C[C@@H](C)[NH2+][C@@H](C)CC(=O)Nc1cccc(Br)c1 ZINC000180824560 552236495 /nfs/dbraw/zinc/23/64/95/552236495.db2.gz JORIHZOGDAKSMR-NWDGAFQWSA-N 1 0 391.331 2.579 20 0 GFADRO CCS(=O)(=O)C[C@@H](C)[NH2+][C@@H](C)c1ccc(I)cc1 ZINC000180826288 552237271 /nfs/dbraw/zinc/23/72/71/552237271.db2.gz VRRUKATZWGZPGV-MNOVXSKESA-N 1 0 381.279 2.765 20 0 GFADRO CC(C)N1CC[C@@H]([NH2+][C@@H](C)CC(=O)Nc2cccc(Br)c2)C1=O ZINC000180905589 552239379 /nfs/dbraw/zinc/23/93/79/552239379.db2.gz IQLMQKLNDIMGBO-SWLSCSKDSA-N 1 0 382.302 2.765 20 0 GFADRO CC(C)N1CC[C@H]([NH2+][C@H](C)CC(=O)Nc2ccc(Br)cc2)C1=O ZINC000180905214 552239540 /nfs/dbraw/zinc/23/95/40/552239540.db2.gz SQLBHHKCJYCYPB-DOMZBBRYSA-N 1 0 382.302 2.765 20 0 GFADRO CC(C)CS(=O)(=O)N1CCC([NH2+]Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000181115107 552246773 /nfs/dbraw/zinc/24/67/73/552246773.db2.gz IJCYNQQZWQGZJJ-UHFFFAOYSA-N 1 0 384.933 2.528 20 0 GFADRO CC[NH+](CC)CCSCC(=O)N[C@H](CO)c1cccc(Br)c1 ZINC000181123010 552247638 /nfs/dbraw/zinc/24/76/38/552247638.db2.gz KAWLQPCYURYDIO-OAHLLOKOSA-N 1 0 389.359 2.674 20 0 GFADRO C[NH+](C)Cc1ccc(C(=O)N[C@H](CO)c2cccc(Br)c2)cc1 ZINC000181132827 552247780 /nfs/dbraw/zinc/24/77/80/552247780.db2.gz NFWVDQICAUVRMJ-QGZVFWFLSA-N 1 0 377.282 2.974 20 0 GFADRO COCc1nc2n(n1)C[C@H]([NH2+][C@H](C)c1ccc(F)cc1Br)CC2 ZINC000181299531 552253148 /nfs/dbraw/zinc/25/31/48/552253148.db2.gz MYTDZQGJLVLMFA-ZYHUDNBSSA-N 1 0 383.265 2.992 20 0 GFADRO CN(CCS(=O)(=O)c1cccc(Br)c1)C[C@@H]1CCCC[C@@H]1O ZINC000181468935 552257801 /nfs/dbraw/zinc/25/78/01/552257801.db2.gz LZONELGFCQWWCN-BBRMVZONSA-N 1 0 390.343 2.706 20 0 GFADRO CC[NH+](CC)CCN(CC(C)C)C(=O)C(=O)Nc1cccnc1Br ZINC000181509856 552258634 /nfs/dbraw/zinc/25/86/34/552258634.db2.gz GVBZVNHDEDVBPK-UHFFFAOYSA-N 1 0 399.333 2.609 20 0 GFADRO Cc1ccc(S(=O)(=O)NCC[NH2+][C@@H]2CCCOc3ccc(F)cc32)s1 ZINC000181511699 552258840 /nfs/dbraw/zinc/25/88/40/552258840.db2.gz HODQSPLZYCQNBH-OAHLLOKOSA-N 1 0 384.498 2.977 20 0 GFADRO CC(C)(COc1ncccc1Br)[NH2+]CC(=O)NC(C1CC1)C1CC1 ZINC000181516600 552259526 /nfs/dbraw/zinc/25/95/26/552259526.db2.gz SNQUQBDYJGAHNT-UHFFFAOYSA-N 1 0 396.329 2.896 20 0 GFADRO C[C@H]1CCC[C@H]([NH+]2CCC(NCCNS(=O)(=O)c3cccs3)CC2)C1 ZINC000181533416 552259892 /nfs/dbraw/zinc/25/98/92/552259892.db2.gz LSRJVPZLAVIAAK-RDJZCZTQSA-N 1 0 385.599 2.659 20 0 GFADRO Cc1cc(S(=O)(=O)NCC[NH2+]Cc2cccc3cnccc32)c(C)s1 ZINC000181539805 552260610 /nfs/dbraw/zinc/26/06/10/552260610.db2.gz VJNGWSRTKPINSG-UHFFFAOYSA-N 1 0 375.519 2.981 20 0 GFADRO C[N@@H+]1CCCN(C(=O)Nc2cc(Br)ccc2-n2cccn2)CC1 ZINC000181592823 552261814 /nfs/dbraw/zinc/26/18/14/552261814.db2.gz FNYRJKUJPWMITN-UHFFFAOYSA-N 1 0 378.274 2.804 20 0 GFADRO CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+]C[C@H](O)CS(=O)(=O)c1cccs1 ZINC000181640080 552263386 /nfs/dbraw/zinc/26/33/86/552263386.db2.gz WNDVFQXNXUXBOD-DLBZAZTESA-N 1 0 385.526 2.879 20 0 GFADRO O=S(=O)(C[C@@H](O)C[NH2+][C@@H]1CSCCc2ccccc21)c1cccs1 ZINC000181641073 552263549 /nfs/dbraw/zinc/26/35/49/552263549.db2.gz CJUSNJVZMGOANQ-GOEBONIOSA-N 1 0 383.560 2.503 20 0 GFADRO CC(C)C(=O)NCCC[NH2+][C@H](C)CC(=O)Nc1cccc(Br)c1 ZINC000181753802 552266874 /nfs/dbraw/zinc/26/68/74/552266874.db2.gz QTYTXWAUKFRUJC-CYBMUJFWSA-N 1 0 384.318 2.918 20 0 GFADRO C[C@@H](Cn1cc(Br)cn1)[NH2+][C@@H](C)c1ccc(-n2ccnn2)cc1 ZINC000181747245 552266890 /nfs/dbraw/zinc/26/68/90/552266890.db2.gz CXJRTHUCNKXRHI-STQMWFEESA-N 1 0 375.274 2.966 20 0 GFADRO Cc1oncc1C[N@@H+]1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000181751080 552267071 /nfs/dbraw/zinc/26/70/71/552267071.db2.gz ABCRALNLAMYFCK-LBPRGKRZSA-N 1 0 379.258 2.991 20 0 GFADRO C[C@@H]([NH2+][C@@H](CC(N)=O)C1CCOCC1)C(=O)Nc1cccc(Cl)c1Cl ZINC000181930879 552270966 /nfs/dbraw/zinc/27/09/66/552270966.db2.gz IMKYITVLABYSKM-YGRLFVJLSA-N 1 0 388.295 2.581 20 0 GFADRO CCO[C@H]1C[C@@H]([NH2+]CC2CCN(S(=O)(=O)C(F)F)CC2)C12CCCC2 ZINC000181953697 552271502 /nfs/dbraw/zinc/27/15/02/552271502.db2.gz PUQUGCZFQXOLIP-CABCVRRESA-N 1 0 380.501 2.578 20 0 GFADRO CN(CCC[NH+](C)C)C(=O)c1nn(-c2ccc(F)cc2)cc1Br ZINC000181961723 552271773 /nfs/dbraw/zinc/27/17/73/552271773.db2.gz UGMUZSIKABKONA-UHFFFAOYSA-N 1 0 383.265 2.798 20 0 GFADRO Cc1cc(Br)ccc1CC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000182046154 552273793 /nfs/dbraw/zinc/27/37/93/552273793.db2.gz XSHOFQXTKWZKDA-OAHLLOKOSA-N 1 0 395.341 2.917 20 0 GFADRO C[NH+](C)CCN(Cc1cccs1)S(=O)(=O)c1ccc(C(F)(F)F)nc1 ZINC000182106280 552275638 /nfs/dbraw/zinc/27/56/38/552275638.db2.gz IWRDDRLSJSVNEV-UHFFFAOYSA-N 1 0 393.456 2.914 20 0 GFADRO COc1ccc([C@H](C)[NH2+]C[C@H]2CC[C@H](C(=O)N(C)C)O2)c(Br)c1 ZINC000182107120 552275744 /nfs/dbraw/zinc/27/57/44/552275744.db2.gz LBLCGDMYLGSQIY-NORZTCDRSA-N 1 0 385.302 2.744 20 0 GFADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)CCc1cc(F)ccc1Br ZINC000182383361 552282598 /nfs/dbraw/zinc/28/25/98/552282598.db2.gz CWYLKROEVDNSSL-OAHLLOKOSA-N 1 0 387.293 2.748 20 0 GFADRO C[NH+](C)C1(CNC(=O)CCc2cc(F)ccc2Br)CCOCC1 ZINC000182433101 552283742 /nfs/dbraw/zinc/28/37/42/552283742.db2.gz FKFCYBGVDYVWJY-UHFFFAOYSA-N 1 0 387.293 2.748 20 0 GFADRO Cc1cc(NC(=O)N(C)CC[N@H+](C)C2CCN(C)CC2)cnc1Br ZINC000182457487 552284941 /nfs/dbraw/zinc/28/49/41/552284941.db2.gz RXEYAGVNCQTNRD-UHFFFAOYSA-N 1 0 398.349 2.642 20 0 GFADRO C[NH+](C)CCn1ccc(NC(=O)CCc2cc(F)ccc2Br)n1 ZINC000182501836 552285986 /nfs/dbraw/zinc/28/59/86/552285986.db2.gz RZLWJAGACZXPIH-UHFFFAOYSA-N 1 0 383.265 2.918 20 0 GFADRO CC[C@@H](C)[C@@H](NC(=O)C[NH2+][C@@H](C)c1ccc(Br)cc1)C(=O)OC ZINC000182728580 552291163 /nfs/dbraw/zinc/29/11/63/552291163.db2.gz UWJIWAAAQVAPQH-BFQNTYOBSA-N 1 0 385.302 2.804 20 0 GFADRO COc1ccc(CC[NH2+][C@H]2CCCC[C@@H]2S(C)(=O)=O)cc1OC(F)F ZINC000182741586 552292347 /nfs/dbraw/zinc/29/23/47/552292347.db2.gz PRAYMTCSSOLCLR-BBRMVZONSA-N 1 0 377.453 2.785 20 0 GFADRO CCS(=O)(=O)C[C@@H](C)[NH2+][C@H]1CCCN(Cc2ccc(F)cc2Cl)C1 ZINC000182941364 552296824 /nfs/dbraw/zinc/29/68/24/552296824.db2.gz OHMMXGSUBLVRJS-CJNGLKHVSA-N 1 0 376.925 2.856 20 0 GFADRO C[C@H]([NH2+][C@@H](C)[C@@H]1CCCO1)C(=O)Nc1cccc(I)c1 ZINC000183105505 552300332 /nfs/dbraw/zinc/30/03/32/552300332.db2.gz KJDBWMPSCXBSNW-MJVIPROJSA-N 1 0 388.249 2.775 20 0 GFADRO [NH3+]C[C@H]1CCCCN1S(=O)(=O)c1c(Cl)cc(F)cc1Br ZINC000183131144 552301667 /nfs/dbraw/zinc/30/16/67/552301667.db2.gz JKBBTCDFQIFTSN-SECBINFHSA-N 1 0 385.686 2.744 20 0 GFADRO C[C@H]1C[C@H](NC(=O)NCCNc2cccc(Br)c2)C[N@@H+]1C1CC1 ZINC000183250788 552303658 /nfs/dbraw/zinc/30/36/58/552303658.db2.gz QKGDBWYOYSITBF-WFASDCNBSA-N 1 0 381.318 2.785 20 0 GFADRO CS(=O)(=O)[C@@H]1CCCC[C@H]1[NH2+]CCc1nc(-c2cccc(Cl)c2)no1 ZINC000183278622 552304910 /nfs/dbraw/zinc/30/49/10/552304910.db2.gz OZVKTSDYWGJWRE-HUUCEWRRSA-N 1 0 383.901 2.878 20 0 GFADRO COc1cc(/C=C/C(=O)N2CC[C@H]([NH+]3CCCC3)C2)cc(Br)c1O ZINC000183549303 552312870 /nfs/dbraw/zinc/31/28/70/552312870.db2.gz QOXSGASEJYLKKM-NNTXTVRGSA-N 1 0 395.297 2.873 20 0 GFADRO Cc1nc(C(F)(F)F)c(CN2CCCC[C@@H]2C(=O)N2CCOCC2)s1 ZINC000183578980 552313450 /nfs/dbraw/zinc/31/34/50/552313450.db2.gz XWRWWYQZCATACH-GFCCVEGCSA-N 1 0 377.432 2.684 20 0 GFADRO CNC(=O)[C@@H]([NH2+]Cc1ccnc(-c2ccc(Br)cc2)n1)C(C)C ZINC000183645798 552315570 /nfs/dbraw/zinc/31/55/70/552315570.db2.gz CFCOQOKLMXUFLB-HNNXBMFYSA-N 1 0 377.286 2.766 20 0 GFADRO Cc1ccccc1OC[C@H](O)C[NH2+][C@H](CO)c1cccc(Br)c1 ZINC000183914203 552322979 /nfs/dbraw/zinc/32/29/79/552322979.db2.gz YGBAKLPHMGZRBE-IAGOWNOFSA-N 1 0 380.282 2.820 20 0 GFADRO Cc1ccc(NC(=O)N[C@H](C)CC[NH+]2CCN(C)CC2)c(Br)c1 ZINC000183931834 552323245 /nfs/dbraw/zinc/32/32/45/552323245.db2.gz MWTUQEGPNVVOEI-CQSZACIVSA-N 1 0 383.334 2.905 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)N[C@H](C)CC[NH+]1CCN(C)CC1 ZINC000183964311 552324613 /nfs/dbraw/zinc/32/46/13/552324613.db2.gz CNXIUSQEADANQS-CQSZACIVSA-N 1 0 383.334 2.905 20 0 GFADRO Cc1ccc(NC(=O)N[C@@H](C)CC[NH+]2CCN(C)CC2)cc1Br ZINC000184039718 552325479 /nfs/dbraw/zinc/32/54/79/552325479.db2.gz OMVCTAQARFOPAG-AWEZNQCLSA-N 1 0 383.334 2.905 20 0 GFADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)CCCc1ccccc1Br ZINC000184334597 552332529 /nfs/dbraw/zinc/33/25/29/552332529.db2.gz SKNQHZGJRAYMRW-MRXNPFEDSA-N 1 0 396.373 2.914 20 0 GFADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)CCCc1ccccc1Br ZINC000184334577 552332635 /nfs/dbraw/zinc/33/26/35/552332635.db2.gz SKNQHZGJRAYMRW-INIZCTEOSA-N 1 0 396.373 2.914 20 0 GFADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)/C=C/c1ccc(Br)cc1 ZINC000184358110 552333369 /nfs/dbraw/zinc/33/33/69/552333369.db2.gz JDJQSDWMJBMTAT-SBJJXXPASA-N 1 0 380.330 2.605 20 0 GFADRO C[NH+]1CCC(CNC(=O)C(=O)Nc2cc(Cl)cc(C(F)(F)F)c2)CC1 ZINC000184391606 552334711 /nfs/dbraw/zinc/33/47/11/552334711.db2.gz PQGHBUHGTAJMHH-UHFFFAOYSA-N 1 0 377.794 2.755 20 0 GFADRO C[C@H](NCC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)c1nccs1 ZINC000184412355 552335019 /nfs/dbraw/zinc/33/50/19/552335019.db2.gz ARJOXSUJDUCDEY-AWEZNQCLSA-N 1 0 376.551 2.981 20 0 GFADRO COCCN(CC[NH+](C)C)C(=O)Nc1cc(Br)c(C)cc1OC ZINC000184539149 552338089 /nfs/dbraw/zinc/33/80/89/552338089.db2.gz TWTKXQDBMQLSJR-UHFFFAOYSA-N 1 0 388.306 2.808 20 0 GFADRO COc1cc(C)c(Br)cc1NC(=O)N[C@H](C)CN1CC[NH+](C)CC1 ZINC000184581819 552339001 /nfs/dbraw/zinc/33/90/01/552339001.db2.gz OGNVANOLJPYZSJ-CYBMUJFWSA-N 1 0 399.333 2.524 20 0 GFADRO NC(=O)[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000184844683 552345580 /nfs/dbraw/zinc/34/55/80/552345580.db2.gz QHYIALYXMVHACK-ZYHUDNBSSA-N 1 0 377.794 2.931 20 0 GFADRO CCN1CC[NH+](CCCCNC(=O)c2csc(Br)c2C)CC1 ZINC000184946576 552348852 /nfs/dbraw/zinc/34/88/52/552348852.db2.gz LDBPYZMZBMFBLP-UHFFFAOYSA-N 1 0 388.375 2.967 20 0 GFADRO C[C@H]1CCCN1S(=O)(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000184974867 552350395 /nfs/dbraw/zinc/35/03/95/552350395.db2.gz HQCYMCOZIDOKNJ-HNNXBMFYSA-N 1 0 385.961 2.871 20 0 GFADRO Cc1cc(N2CC[C@@H]([NH2+][C@@H](C)c3cnn(C)c3)C2=O)ccc1Br ZINC000185276852 552359612 /nfs/dbraw/zinc/35/96/12/552359612.db2.gz SUNXSNLZTZCMEN-BLLLJJGKSA-N 1 0 377.286 2.947 20 0 GFADRO CC(C)OCC[NH+]1CCC(NC(=O)c2ccc(Br)cc2N)CC1 ZINC000185274283 552359698 /nfs/dbraw/zinc/35/96/98/552359698.db2.gz FBPCJLGMGYKJIN-UHFFFAOYSA-N 1 0 384.318 2.651 20 0 GFADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)CCc1ccc(C)cc1Br ZINC000185293784 552360413 /nfs/dbraw/zinc/36/04/13/552360413.db2.gz YDWDHQNBWGEIQZ-MRXNPFEDSA-N 1 0 383.330 2.917 20 0 GFADRO CN(CC[N@H+](C)C1CC1)C(=O)N[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000185339387 552360891 /nfs/dbraw/zinc/36/08/91/552360891.db2.gz ATWOHVJKLMXTQW-OAHLLOKOSA-N 1 0 395.345 2.763 20 0 GFADRO CCN(CC)S(=O)(=O)c1ccc(CC[NH2+]Cc2cc(O)cc(F)c2)s1 ZINC000185515839 552365305 /nfs/dbraw/zinc/36/53/05/552365305.db2.gz SMGGSANDAQQIFL-UHFFFAOYSA-N 1 0 386.514 2.956 20 0 GFADRO CN(CCC[NH+](C)C)C(=O)N[C@@H]1CCN(c2ccccc2Br)C1 ZINC000186170825 552381262 /nfs/dbraw/zinc/38/12/62/552381262.db2.gz VNNGYJSFUVYQSI-CQSZACIVSA-N 1 0 383.334 2.621 20 0 GFADRO CC[N@H+](CC(=O)N1CCO[C@H](c2ccc(F)c(Br)c2)C1)C1CC1 ZINC000186522289 552390197 /nfs/dbraw/zinc/39/01/97/552390197.db2.gz DWORMQHPKPVDQV-INIZCTEOSA-N 1 0 385.277 2.972 20 0 GFADRO COC(=O)c1sccc1S(=O)(=O)N[C@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000186584063 552391899 /nfs/dbraw/zinc/39/18/99/552391899.db2.gz IKEDHZJZAREFPO-IUODEOHRSA-N 1 0 382.507 2.504 20 0 GFADRO CSc1ccc(CN(C)C(=O)C[N@@H+]2CCSC3(CCOCC3)C2)cc1 ZINC000186841490 552399725 /nfs/dbraw/zinc/39/97/25/552399725.db2.gz RUYUJPQBCKAKGR-UHFFFAOYSA-N 1 0 380.579 2.965 20 0 GFADRO C[C@@H](Cc1ccc(Br)cc1)C(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C ZINC000186928810 552401981 /nfs/dbraw/zinc/40/19/81/552401981.db2.gz MIFCFKYILCLDFZ-LSDHHAIUSA-N 1 0 397.357 2.931 20 0 GFADRO COc1ccc(Cl)cc1N1CC[C@H]([NH2+][C@H](C)C2CCS(=O)(=O)CC2)C1 ZINC000187141582 552407741 /nfs/dbraw/zinc/40/77/41/552407741.db2.gz BWBJICXWPBJDMP-CJNGLKHVSA-N 1 0 386.945 2.730 20 0 GFADRO COc1cc(Br)ccc1C[NH2+][C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000187574348 552419324 /nfs/dbraw/zinc/41/93/24/552419324.db2.gz WSUNLDBCYBFRHO-DZGCQCFKSA-N 1 0 376.316 2.903 20 0 GFADRO COC[C@H](C)C[NH2+]CC(C)(C)S(=O)(=O)c1ccc(Br)cc1 ZINC000187937914 552428179 /nfs/dbraw/zinc/42/81/79/552428179.db2.gz MKACJTBXMNXFEF-GFCCVEGCSA-N 1 0 378.332 2.874 20 0 GFADRO CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2cc(C)cc(Br)c2)C1 ZINC000188077653 552434008 /nfs/dbraw/zinc/43/40/08/552434008.db2.gz OEKFDDXEQRFABC-CYBMUJFWSA-N 1 0 382.302 2.544 20 0 GFADRO CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)c1occc1Br ZINC000188088537 552434608 /nfs/dbraw/zinc/43/46/08/552434608.db2.gz ZXYUCBAXAAIJMZ-SFHVURJKSA-N 1 0 393.281 2.751 20 0 GFADRO O=C(N1CC[NH+](C[C@@H]2CCOC2)CC1)C1(c2ccccc2Br)CC1 ZINC000188100080 552434970 /nfs/dbraw/zinc/43/49/70/552434970.db2.gz DDOJYCGZHFIOGV-HNNXBMFYSA-N 1 0 393.325 2.661 20 0 GFADRO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1cc(Br)c(C)cc1C ZINC000188099196 552435186 /nfs/dbraw/zinc/43/51/86/552435186.db2.gz TYQCNZPTNGUUSL-ZDUSSCGKSA-N 1 0 384.318 2.851 20 0 GFADRO Cc1cc(C2CC[NH+](C[C@@H](O)CN3CCOCC3)CC2)ccc1Br ZINC000188200536 552439113 /nfs/dbraw/zinc/43/91/13/552439113.db2.gz UEZPYUOVKINIGA-GOSISDBHSA-N 1 0 397.357 2.630 20 0 GFADRO CCN(CCC[NH+](C)C)C(=O)NCC(=O)Nc1ccc(Br)cc1C ZINC000188469182 552445539 /nfs/dbraw/zinc/44/55/39/552445539.db2.gz XYXGRXAJYOQUHX-UHFFFAOYSA-N 1 0 399.333 2.679 20 0 GFADRO O=C(Nc1cccc(Br)n1)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000188575103 552448817 /nfs/dbraw/zinc/44/88/17/552448817.db2.gz FEANYCQEWZQWHP-ZIAGYGMSSA-N 1 0 397.317 2.734 20 0 GFADRO O=C(CCOCC(F)(F)C(F)F)NCC1([NH+]2CCSCC2)CCCC1 ZINC000188633932 552450628 /nfs/dbraw/zinc/45/06/28/552450628.db2.gz OOOXVVZAOVRLIH-UHFFFAOYSA-N 1 0 386.455 2.771 20 0 GFADRO C[C@H]1CN(C(=O)c2cc3ccc(Br)cc3[nH]2)CC[N@@H+]1CC(C)(C)O ZINC000188648308 552450854 /nfs/dbraw/zinc/45/08/54/552450854.db2.gz QQQMAKYQXCIXIP-LBPRGKRZSA-N 1 0 394.313 2.848 20 0 GFADRO CCN1CCC[C@H]1C[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000188688751 552452077 /nfs/dbraw/zinc/45/20/77/552452077.db2.gz VBJBMAXUVJRTPD-KRWDZBQOSA-N 1 0 382.346 2.860 20 0 GFADRO O=C(c1ncc(Br)cc1Br)N1CC[NH+]2CCC1CC2 ZINC000188851349 552457024 /nfs/dbraw/zinc/45/70/24/552457024.db2.gz GKQSQHHQVXNBQS-UHFFFAOYSA-N 1 0 389.091 2.527 20 0 GFADRO COCC[NH+]1CCC(NC(=O)NCc2cccc(C)c2Br)CC1 ZINC000189009585 552460810 /nfs/dbraw/zinc/46/08/10/552460810.db2.gz CLJSKRSDDLXJFZ-UHFFFAOYSA-N 1 0 384.318 2.668 20 0 GFADRO Fc1cc(Br)cc(OCC[N@@H+]2CC[C@@H](CN3CCOCC3)C2)c1 ZINC000189037258 552461354 /nfs/dbraw/zinc/46/13/54/552461354.db2.gz DXAKFCBFHKMDBO-CQSZACIVSA-N 1 0 387.293 2.621 20 0 GFADRO C[C@@]([NH2+]CCOc1cc(F)cc(Br)c1)(C(N)=O)c1ccccc1 ZINC000189156748 552464528 /nfs/dbraw/zinc/46/45/28/552464528.db2.gz WWNHTNOJGPZZJK-KRWDZBQOSA-N 1 0 381.245 2.957 20 0 GFADRO CC[NH+]1CCN([C@H](C)CNC(=O)c2c[nH]nc2-c2ccc(Cl)s2)CC1 ZINC000189486595 552473034 /nfs/dbraw/zinc/47/30/34/552473034.db2.gz SFCJGJZVECYDSG-GFCCVEGCSA-N 1 0 381.933 2.547 20 0 GFADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)NCc1cccc(C)c1Br ZINC000189558364 552474826 /nfs/dbraw/zinc/47/48/26/552474826.db2.gz KLIVEFZOYZRPIE-OAHLLOKOSA-N 1 0 384.318 2.668 20 0 GFADRO CS(=O)(=O)N1CC(C[NH2+]Cc2ccc(-c3ccc(Br)cc3)o2)C1 ZINC000189696165 552477602 /nfs/dbraw/zinc/47/76/02/552477602.db2.gz ZIDULGYZPMSXCF-UHFFFAOYSA-N 1 0 399.310 2.690 20 0 GFADRO Cc1cc(NC(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCC2)ccc1Br ZINC000190031051 552485714 /nfs/dbraw/zinc/48/57/14/552485714.db2.gz FLQSGAPMHSMJAR-HNNXBMFYSA-N 1 0 394.313 2.783 20 0 GFADRO CNS(=O)(=O)CC[NH2+]Cc1ccc(-c2ccccc2Br)s1 ZINC000190305716 552492522 /nfs/dbraw/zinc/49/25/22/552492522.db2.gz KSFATQXCKQJRAO-UHFFFAOYSA-N 1 0 389.340 2.816 20 0 GFADRO Cc1cc(NC(=O)C(=O)NC[C@@H](C)C[NH+]2CCCC2)cc(C)c1Br ZINC000190369329 552494250 /nfs/dbraw/zinc/49/42/50/552494250.db2.gz PRJLIINXGAPWTL-GFCCVEGCSA-N 1 0 396.329 2.853 20 0 GFADRO COc1cc(Br)ccc1[C@H](C)[NH2+][C@@H](C)C(=O)NC[C@@H]1CCCO1 ZINC000190462117 552497630 /nfs/dbraw/zinc/49/76/30/552497630.db2.gz LNQKJRNVSLIURC-OBJOEFQTSA-N 1 0 385.302 2.792 20 0 GFADRO COc1cc(Br)ccc1[C@H](C)[NH2+][C@H](C)C(=O)NC[C@@H]1CCCO1 ZINC000190462149 552497750 /nfs/dbraw/zinc/49/77/50/552497750.db2.gz LNQKJRNVSLIURC-SCRDCRAPSA-N 1 0 385.302 2.792 20 0 GFADRO CCS(=O)(=O)N1CC(C[NH2+][C@@H](C)c2cc(Br)ccc2F)C1 ZINC000190681608 552505897 /nfs/dbraw/zinc/50/58/97/552505897.db2.gz NZOPWCYCTKNYOU-JTQLQIEISA-N 1 0 379.295 2.520 20 0 GFADRO Cc1csc(C(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)c1Br ZINC000190860792 552511184 /nfs/dbraw/zinc/51/11/84/552511184.db2.gz DIUZWQMCGJFWFQ-LBPRGKRZSA-N 1 0 375.332 2.906 20 0 GFADRO C[N@H+](Cc1nc(-c2ccc(Br)s2)no1)C1(CO)CCOCC1 ZINC000190988242 552515624 /nfs/dbraw/zinc/51/56/24/552515624.db2.gz TYLIZSAEOUNEGU-UHFFFAOYSA-N 1 0 388.287 2.534 20 0 GFADRO Cc1csc(C(=O)NC[C@H]2CCC[N@@H+](C)C2)c1I ZINC000191404004 552527207 /nfs/dbraw/zinc/52/72/07/552527207.db2.gz XSKFFTILAYPBGD-SNVBAGLBSA-N 1 0 378.279 2.733 20 0 GFADRO CCN1CC[NH+](CCCCNC(=O)c2scc(C)c2Br)CC1 ZINC000191499011 552530322 /nfs/dbraw/zinc/53/03/22/552530322.db2.gz UZBHGMNGHCOGDO-UHFFFAOYSA-N 1 0 388.375 2.967 20 0 GFADRO COC(=O)[C@](C)(C[NH2+][C@@H](C)Cn1cc(Br)cn1)c1ccccc1 ZINC000191577127 552532054 /nfs/dbraw/zinc/53/20/54/552532054.db2.gz FCHDFNXJYVUCCQ-SUMWQHHRSA-N 1 0 380.286 2.755 20 0 GFADRO O=C1[C@H]([NH2+]Cc2cncc(Br)c2)CCN1Cc1ccc(F)cc1 ZINC000191764631 552537508 /nfs/dbraw/zinc/53/75/08/552537508.db2.gz MEXGHJSTDCACOW-MRXNPFEDSA-N 1 0 378.245 2.874 20 0 GFADRO Cn1nc(Br)cc1C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000191882326 552541262 /nfs/dbraw/zinc/54/12/62/552541262.db2.gz QTLHCKQUJJNIGG-UHFFFAOYSA-N 1 0 377.286 2.708 20 0 GFADRO Cc1cc(S(=O)(=O)N2CCC(N3CCO[C@H](C)C3)CC2)sc1Cl ZINC000191898200 552541651 /nfs/dbraw/zinc/54/16/51/552541651.db2.gz ARQFQAHBCXOLBP-GFCCVEGCSA-N 1 0 378.947 2.584 20 0 GFADRO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1cc(Cl)c(Cl)cc1OC ZINC000192033247 552546792 /nfs/dbraw/zinc/54/67/92/552546792.db2.gz PMKBUBDUFZRTMZ-JTQLQIEISA-N 1 0 376.284 2.787 20 0 GFADRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)c1cc(Br)c(F)cc1F ZINC000192065092 552548577 /nfs/dbraw/zinc/54/85/77/552548577.db2.gz BTHJKRJPOKLZSC-LLVKDONJSA-N 1 0 391.256 2.910 20 0 GFADRO CC(C)C[NH+]1CCN([C@H]2CCN(c3cccc(Br)c3)C2=O)CC1 ZINC000192059994 552548647 /nfs/dbraw/zinc/54/86/47/552548647.db2.gz VFLFNJANNXEXCJ-KRWDZBQOSA-N 1 0 380.330 2.828 20 0 GFADRO Cn1nc(Br)cc1C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000192067051 552549081 /nfs/dbraw/zinc/54/90/81/552549081.db2.gz XWINHNVEGWUISO-UHFFFAOYSA-N 1 0 377.286 2.708 20 0 GFADRO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)c2cccc(Br)c2F)CC1 ZINC000192075212 552549416 /nfs/dbraw/zinc/54/94/16/552549416.db2.gz HTNUFFCVSFYRRK-CQSZACIVSA-N 1 0 398.320 2.830 20 0 GFADRO Cn1nc(Br)cc1C(=O)N1C[C@@H]2CCC[N@@H+]2Cc2ccccc21 ZINC000192195004 552555024 /nfs/dbraw/zinc/55/50/24/552555024.db2.gz QQFKSAOFNGDEQT-ZDUSSCGKSA-N 1 0 375.270 2.807 20 0 GFADRO COC(=O)CNC(=O)CC[NH2+][C@@](C)(c1ccc(Br)cc1)C(C)C ZINC000192373697 552561514 /nfs/dbraw/zinc/56/15/14/552561514.db2.gz NVZNQRTWLBLZEE-QGZVFWFLSA-N 1 0 385.302 2.589 20 0 GFADRO COC(=O)c1cccc(NC(=O)N2CCN(C3CC3)CC2)c1Br ZINC000192424126 552562987 /nfs/dbraw/zinc/56/29/87/552562987.db2.gz KDIQYGXQSRCHRU-UHFFFAOYSA-N 1 0 382.258 2.548 20 0 GFADRO CCc1cnc(NC(=O)C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)s1 ZINC000192449023 552564030 /nfs/dbraw/zinc/56/40/30/552564030.db2.gz KKPOBFLZZWTFIX-ZDUSSCGKSA-N 1 0 378.523 2.659 20 0 GFADRO CCC(CC)[C@H](CNC(=O)C(=O)Nc1cc(C)c(Br)cn1)[NH+](C)C ZINC000193281025 552988899 /nfs/dbraw/zinc/98/88/99/552988899.db2.gz OKIYWXYPJKJUBZ-AWEZNQCLSA-N 1 0 399.333 2.574 20 0 GFADRO C[C@H](C[NH3+])N(C)S(=O)(=O)c1ccc(Br)c(Cl)c1Cl ZINC000193281872 552988980 /nfs/dbraw/zinc/98/89/80/552988980.db2.gz PAGKEOHVXUCPAQ-ZCFIWIBFSA-N 1 0 376.103 2.724 20 0 GFADRO Cc1cc(N2CC[C@H]([NH2+][C@@H](C)c3ccnn3C)C2=O)ccc1Br ZINC000193292958 552988992 /nfs/dbraw/zinc/98/89/92/552988992.db2.gz FTOJTPUSDYRLLX-WFASDCNBSA-N 1 0 377.286 2.947 20 0 GFADRO Cc1c(C(=O)N[C@H]2CCC[NH2+][C@H]2C)cnn1-c1ccc(Br)cc1 ZINC000193493820 552995030 /nfs/dbraw/zinc/99/50/30/552995030.db2.gz YCAVJEAWSFZTLB-ZBEGNZNMSA-N 1 0 377.286 2.814 20 0 GFADRO C[NH+](C)Cc1ccccc1C[N-]S(=O)(=O)c1c(F)c(F)cc(F)c1F ZINC000193652811 552999276 /nfs/dbraw/zinc/99/92/76/552999276.db2.gz POTBCIBKPXWCJW-UHFFFAOYSA-N 1 0 376.375 2.783 20 0 GFADRO C[NH+](C)C1CCN(C(=O)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)CC1 ZINC000193734238 553001322 /nfs/dbraw/zinc/00/13/22/553001322.db2.gz ZJDFKYURIOJOGZ-UHFFFAOYSA-N 1 0 377.794 2.850 20 0 GFADRO CCS(=O)(=O)N1CCC([NH2+][C@H](C)c2cc(Br)cs2)CC1 ZINC000193964766 553008027 /nfs/dbraw/zinc/00/80/27/553008027.db2.gz LNZHNRONAVORQN-SNVBAGLBSA-N 1 0 381.361 2.975 20 0 GFADRO CCS(=O)(=O)N1CC(C[NH2+][C@H](C)CCc2ccc(C(F)(F)F)cc2)C1 ZINC000194007828 553009833 /nfs/dbraw/zinc/00/98/33/553009833.db2.gz TYZCBSCAIFBTMF-CYBMUJFWSA-N 1 0 378.460 2.898 20 0 GFADRO COC[C@H]([NH2+]CCN(C)S(=O)(=O)c1cccs1)c1ccc(Cl)cc1 ZINC000194118339 553012092 /nfs/dbraw/zinc/01/20/92/553012092.db2.gz LBDLQCQPRZCHFE-HNNXBMFYSA-N 1 0 388.942 2.999 20 0 GFADRO O=C(NC1CC[NH+](CC2CC2)CC1)[C@H]1Cc2cc(Br)ccc2O1 ZINC000194137204 553012950 /nfs/dbraw/zinc/01/29/50/553012950.db2.gz RVDUVSHDHWUPEF-QGZVFWFLSA-N 1 0 379.298 2.743 20 0 GFADRO CC[NH+]1CCN(CCCNC(=O)c2ccc(OC(F)(F)Cl)cc2)CC1 ZINC000194260435 553016075 /nfs/dbraw/zinc/01/60/75/553016075.db2.gz DPJOJEVQCPCKMI-UHFFFAOYSA-N 1 0 375.847 2.612 20 0 GFADRO O=C(C[N@H+](Cc1cccc(Br)c1)CC1CC1)NC(=O)NC1CC1 ZINC000194268507 553016585 /nfs/dbraw/zinc/01/65/85/553016585.db2.gz ZYLKCYIOZCVZHV-UHFFFAOYSA-N 1 0 380.286 2.649 20 0 GFADRO CC[NH+](CC)C[C@H]1CCN(C(=O)[C@@H]2Cc3cc(Br)ccc3O2)C1 ZINC000194362984 553018502 /nfs/dbraw/zinc/01/85/02/553018502.db2.gz SGBIZKHISCRWAK-DYVFJYSZSA-N 1 0 381.314 2.943 20 0 GFADRO C[C@H](C[NH+]1CCCCC1)NC(=O)NCC(=O)Nc1ccc(Br)cc1 ZINC000194457503 553021454 /nfs/dbraw/zinc/02/14/54/553021454.db2.gz HUNRQYDRHCSPJL-CYBMUJFWSA-N 1 0 397.317 2.561 20 0 GFADRO CSc1ncc(Cl)c(C(=O)NCc2ccccc2OCC[NH+](C)C)n1 ZINC000194962507 553034863 /nfs/dbraw/zinc/03/48/63/553034863.db2.gz TZJVEDOWPJACOO-UHFFFAOYSA-N 1 0 380.901 2.722 20 0 GFADRO C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000195056261 553036955 /nfs/dbraw/zinc/03/69/55/553036955.db2.gz OOXHUVZQKYICRD-CHWSQXEVSA-N 1 0 384.307 2.808 20 0 GFADRO Cc1nn(-c2ccc(C(=O)N3C[C@H]4C[NH2+]C[C@H]4C3)cc2)c(C)c1Br ZINC000195215540 553041350 /nfs/dbraw/zinc/04/13/50/553041350.db2.gz KCHAJOWNUUWDDS-GASCZTMLSA-N 1 0 389.297 2.543 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CN(Cc2ccc(Br)c(Br)c2)CCO1 ZINC000220328639 553055219 /nfs/dbraw/zinc/05/52/19/553055219.db2.gz PCWDZYOJMSYUMY-RNCFNFMXSA-N 1 0 378.108 2.760 20 0 GFADRO O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(F)cc1I ZINC000223543729 553056724 /nfs/dbraw/zinc/05/67/24/553056724.db2.gz ZSIRARULHSZLAN-NWDGAFQWSA-N 1 0 388.224 2.787 20 0 GFADRO C[NH+]1CCC(C)(CNC(=O)c2csc(I)c2)CC1 ZINC000227507515 553062580 /nfs/dbraw/zinc/06/25/80/553062580.db2.gz CDRKXGBCNOIMJB-UHFFFAOYSA-N 1 0 378.279 2.814 20 0 GFADRO [NH3+]C[C@H]1c2ccccc2CCN1S(=O)(=O)c1ccc(Br)s1 ZINC000227721978 553063090 /nfs/dbraw/zinc/06/30/90/553063090.db2.gz LQPMXWBUQMLPCX-LBPRGKRZSA-N 1 0 387.324 2.757 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)c3ccc(F)cc3I)C[C@@H]21 ZINC000230069148 553064282 /nfs/dbraw/zinc/06/42/82/553064282.db2.gz RKZNSLWONUIJNK-LJWDBELGSA-N 1 0 388.224 2.630 20 0 GFADRO COCC[N@@H+]1CCCN(C(=O)c2ccc(Cl)cc2Br)CC1 ZINC000230181999 553064768 /nfs/dbraw/zinc/06/47/68/553064768.db2.gz UPLHORGCOMWZOP-UHFFFAOYSA-N 1 0 375.694 2.897 20 0 GFADRO CC(C)C[C@@H](C[NH3+])NC(=O)CCC[S@](=O)c1ccc(Br)cc1 ZINC000236620170 553069890 /nfs/dbraw/zinc/06/98/90/553069890.db2.gz YGVHWCWYIPEVJK-FPTDNZKUSA-N 1 0 389.359 2.827 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)NC1(C[NH3+])CCCC1 ZINC000236828383 553071652 /nfs/dbraw/zinc/07/16/52/553071652.db2.gz LWPDWQHTWAZKHP-CQSZACIVSA-N 1 0 384.567 2.739 20 0 GFADRO CCCC[C@H](C[NH3+])NC(=O)CCC[S@](=O)c1ccc(Br)cc1 ZINC000236882374 553072939 /nfs/dbraw/zinc/07/29/39/553072939.db2.gz TVCMFJXJMBNDPB-PEBXRYMYSA-N 1 0 389.359 2.971 20 0 GFADRO CCCC[C@H](C[NH3+])NC(=O)c1cc(S(=O)(=O)N(C)C(C)C)ccc1Cl ZINC000236928009 553072968 /nfs/dbraw/zinc/07/29/68/553072968.db2.gz CHFVLCNODRKYFS-CYBMUJFWSA-N 1 0 389.949 2.616 20 0 GFADRO CCN(CC)S(=O)(=O)c1cc(NC(=O)C2([NH3+])CCCCC2)ccc1Cl ZINC000236974657 553073723 /nfs/dbraw/zinc/07/37/23/553073723.db2.gz KSVWYJCGQOGNQE-UHFFFAOYSA-N 1 0 387.933 2.971 20 0 GFADRO CC[NH2+]CC1CCN(S(=O)(=O)c2cc(Br)ccc2F)CC1 ZINC000237048097 553074083 /nfs/dbraw/zinc/07/40/83/553074083.db2.gz SXBWDIVDLSQZHL-UHFFFAOYSA-N 1 0 379.295 2.598 20 0 GFADRO C[NH2+]C[C@@H]1CCCN1C(=O)CCC[S@@](=O)c1ccc(Br)cc1 ZINC000237074766 553074388 /nfs/dbraw/zinc/07/43/88/553074388.db2.gz DERDQIUHFRETPZ-RCDICMHDSA-N 1 0 387.343 2.547 20 0 GFADRO COC(=O)C[C@H](NC(=O)[C@H]1CCC[C@@H]([NH3+])C1)c1cccc(Br)c1 ZINC000237221656 553075919 /nfs/dbraw/zinc/07/59/19/553075919.db2.gz FQVQOHUWXYUVFZ-CFVMTHIKSA-N 1 0 383.286 2.687 20 0 GFADRO C[NH2+]CCN(C)C(=O)c1cccc(NC(=O)c2ccc(Br)o2)c1 ZINC000237359488 553077300 /nfs/dbraw/zinc/07/73/00/553077300.db2.gz JNSUHOYDMMDXMX-UHFFFAOYSA-N 1 0 380.242 2.586 20 0 GFADRO COc1cc(CNC(=O)CCC2CC[NH2+]CC2)cc(Br)c1OC ZINC000237337639 553077315 /nfs/dbraw/zinc/07/73/15/553077315.db2.gz AWEZJYJYOMPSIP-UHFFFAOYSA-N 1 0 385.302 2.862 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)CCC1CC[NH2+]CC1 ZINC000237557181 553079283 /nfs/dbraw/zinc/07/92/83/553079283.db2.gz VGPWFRHZVJBBCC-UHFFFAOYSA-N 1 0 396.329 2.982 20 0 GFADRO C[C@H](CC(=O)NCCC(=O)Nc1ccc(Br)cc1)C1CC[NH2+]CC1 ZINC000237615463 553080010 /nfs/dbraw/zinc/08/00/10/553080010.db2.gz BHNNICPJQCMERZ-CYBMUJFWSA-N 1 0 396.329 2.920 20 0 GFADRO C[C@H](CC(=O)NCc1cn2cc(Br)ccc2n1)[C@@H]1CCC[NH2+]C1 ZINC000237680304 553080332 /nfs/dbraw/zinc/08/03/32/553080332.db2.gz ROVIBSYZJHHDQJ-CHWSQXEVSA-N 1 0 379.302 2.739 20 0 GFADRO C[C@H]1CCCN(C(=O)c2nn(-c3ccc(F)cc3)cc2Br)[C@H]1C[NH3+] ZINC000237663732 553080348 /nfs/dbraw/zinc/08/03/48/553080348.db2.gz HSWPQYPCKNNDDV-NHYWBVRUSA-N 1 0 395.276 2.973 20 0 GFADRO C[C@H]1CCCN(C(=O)c2nn(-c3ccc(F)cc3)cc2Br)[C@@H]1C[NH3+] ZINC000237663702 553080749 /nfs/dbraw/zinc/08/07/49/553080749.db2.gz HSWPQYPCKNNDDV-XHDPSFHLSA-N 1 0 395.276 2.973 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)CCC1CC[NH2+]CC1 ZINC000237785106 553081747 /nfs/dbraw/zinc/08/17/47/553081747.db2.gz NVCQYBURMBMQQK-UHFFFAOYSA-N 1 0 396.329 2.982 20 0 GFADRO O=C(CSc1cccc2cccc(Cl)c21)NCCCN1CC[NH2+]CC1 ZINC000237789093 553081899 /nfs/dbraw/zinc/08/18/99/553081899.db2.gz XTODMZODZNJCLN-UHFFFAOYSA-N 1 0 377.941 2.997 20 0 GFADRO O=C(NCC[C@H]1CCC[NH2+]C1)c1c(F)cccc1I ZINC000237797813 553082149 /nfs/dbraw/zinc/08/21/49/553082149.db2.gz FMEKGKYCWQHISG-SNVBAGLBSA-N 1 0 376.213 2.550 20 0 GFADRO [NH3+]C[C@H](C(=O)N[C@H]1CCN(c2ccc(Br)cc2)C1)c1ccccc1 ZINC000237832930 553082817 /nfs/dbraw/zinc/08/28/17/553082817.db2.gz FBTXTUHEPMXDGF-WMZOPIPTSA-N 1 0 388.309 2.887 20 0 GFADRO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)N[C@@H]1CCC[C@H]1C[NH3+] ZINC000237833485 553082862 /nfs/dbraw/zinc/08/28/62/553082862.db2.gz GNPNIOBMNRPSIY-GXFFZTMASA-N 1 0 379.254 2.721 20 0 GFADRO [NH3+][C@@H]1CCN(C(=O)c2nn(-c3cccc(Br)c3)c3c2CCCC3)C1 ZINC000237983772 553084779 /nfs/dbraw/zinc/08/47/79/553084779.db2.gz WRTZASKFSWTAEB-CYBMUJFWSA-N 1 0 389.297 2.687 20 0 GFADRO [NH3+][C@H]1CCC[C@H](C(=O)N2CCN(C(=O)c3cc(Cl)cc(Cl)c3)CC2)C1 ZINC000238034795 553085036 /nfs/dbraw/zinc/08/50/36/553085036.db2.gz GTBYWFUCYNIXBK-LRDDRELGSA-N 1 0 384.307 2.795 20 0 GFADRO [NH3+]C[C@@H](NC(=O)CCCCc1ccc(I)cc1)C1CC1 ZINC000238054212 553085880 /nfs/dbraw/zinc/08/58/80/553085880.db2.gz UKFABWAWPBDKTN-OAHLLOKOSA-N 1 0 386.277 2.858 20 0 GFADRO OC1CC[NH+](CCCNCc2nc(-c3cccc(Br)c3)c[nH]2)CC1 ZINC000238152680 553086350 /nfs/dbraw/zinc/08/63/50/553086350.db2.gz LHPUDRGTOFSMCM-UHFFFAOYSA-N 1 0 393.329 2.776 20 0 GFADRO OCCOCC[NH2+]Cc1cc(Br)ccc1OCc1ccccn1 ZINC000238189834 553086614 /nfs/dbraw/zinc/08/66/14/553086614.db2.gz OLKPPEXYQWDOHF-UHFFFAOYSA-N 1 0 381.270 2.522 20 0 GFADRO C[C@H](NC(=O)CN(C)[C@H]1CCCC[C@H]1S(C)(=O)=O)c1ccccc1Cl ZINC000245421819 553089894 /nfs/dbraw/zinc/08/98/94/553089894.db2.gz IEGXTGVLPGFIAG-RRQGHBQHSA-N 1 0 386.945 2.805 20 0 GFADRO CCOc1c(Br)cc(C[N@@H+]2C[C@H](C(N)=O)CC[C@H]2C)cc1OC ZINC000245541793 553092284 /nfs/dbraw/zinc/09/22/84/553092284.db2.gz OVZLVLIWNIYQPL-DGCLKSJQSA-N 1 0 385.302 2.942 20 0 GFADRO C[C@@H]1CC[N@H+](CC(=O)Nc2ccc(Cl)c(S(=O)(=O)N(C)C)c2)C[C@H]1C ZINC000245872364 553098448 /nfs/dbraw/zinc/09/84/48/553098448.db2.gz HAWQCFVTRZPHTR-CHWSQXEVSA-N 1 0 387.933 2.507 20 0 GFADRO C[C@]1(O)CCC[N@H+](C[C@@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000245901261 553098841 /nfs/dbraw/zinc/09/88/41/553098841.db2.gz LEYIWOZWKRPGJU-DOMZBBRYSA-N 1 0 378.694 2.689 20 0 GFADRO O=C(NC[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1)c1ccccc1Br ZINC000245936218 553099864 /nfs/dbraw/zinc/09/98/64/553099864.db2.gz VTCVYOCURWZCGA-HOTGVXAUSA-N 1 0 389.293 2.814 20 0 GFADRO COC[C@H](C)S(=O)(=O)N[C@@H]1CCN(C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000245925552 553099882 /nfs/dbraw/zinc/09/98/82/553099882.db2.gz SFKWAEFGXTVCAZ-JCURWCKSSA-N 1 0 392.924 2.957 20 0 GFADRO CN(C)C(=O)[C@@H]1CC[C@@H](C[NH2+][C@H]2CCc3c2c(Br)ccc3F)O1 ZINC000246069349 553101772 /nfs/dbraw/zinc/10/17/72/553101772.db2.gz SKHUWUNVMAJQCS-LKTVYLICSA-N 1 0 385.277 2.801 20 0 GFADRO C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCN(S(C)(=O)=O)C2)c2cccc(Br)c21 ZINC000246477433 553108773 /nfs/dbraw/zinc/10/87/73/553108773.db2.gz RAJOYFQFERDCQJ-LALPHHSUSA-N 1 0 387.343 2.869 20 0 GFADRO Cc1ccc(Br)cc1S(=O)(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000246520283 553109309 /nfs/dbraw/zinc/10/93/09/553109309.db2.gz CJNBQZQLCPYYNS-DZGCQCFKSA-N 1 0 387.343 2.862 20 0 GFADRO C[C@H](O)CN1CCN(C(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)C[C@@H]1C ZINC000246620464 553110755 /nfs/dbraw/zinc/11/07/55/553110755.db2.gz DAWLAINRNZPCDC-AVGNSLFASA-N 1 0 375.296 2.674 20 0 GFADRO C[C@H]1CN(CCC(=O)Nc2sccc2C(N)=O)C[C@@H](c2ccsc2)O1 ZINC000246613774 553110798 /nfs/dbraw/zinc/11/07/98/553110798.db2.gz VDPIBLBVJAGWOY-FZMZJTMJSA-N 1 0 379.507 2.699 20 0 GFADRO O[C@@H](C[N@@H+]1CCC[C@@H](CN2CCOCC2)C1)c1ccccc1Br ZINC000246602438 553110882 /nfs/dbraw/zinc/11/08/82/553110882.db2.gz HIUOUZRKKOKTJH-YJBOKZPZSA-N 1 0 383.330 2.527 20 0 GFADRO C[N@@H+]1CCC[C@H]2CN(S(=O)(=O)c3cc(Br)ccc3F)CC[C@H]21 ZINC000246878851 553115065 /nfs/dbraw/zinc/11/50/65/553115065.db2.gz DWGRVLKANPEZTB-SMDDNHRTSA-N 1 0 391.306 2.693 20 0 GFADRO C[N@@H+]1CCC[C@@H]2CN(S(=O)(=O)c3cc(C(F)(F)F)ccc3F)CC[C@H]21 ZINC000246974623 553116707 /nfs/dbraw/zinc/11/67/07/553116707.db2.gz JHWVCPQSZQEVNZ-BXUZGUMPSA-N 1 0 380.407 2.949 20 0 GFADRO Cc1sc(Br)cc1S(=O)(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000247337160 553121531 /nfs/dbraw/zinc/12/15/31/553121531.db2.gz HIBZMIBOFWIBLQ-VXGBXAGGSA-N 1 0 393.372 2.924 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2ccc(F)c(Br)c2)[C@@H](C)C1 ZINC000247422626 553122184 /nfs/dbraw/zinc/12/21/84/553122184.db2.gz KSNQATMVPAUPSS-NHYWBVRUSA-N 1 0 393.322 2.939 20 0 GFADRO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)CSc1nncs1 ZINC000247622571 553123720 /nfs/dbraw/zinc/12/37/20/553123720.db2.gz TYQACOGVWIFKKK-HALDLXJZSA-N 1 0 376.551 2.903 20 0 GFADRO COc1ccc(Br)cc1S(=O)(=O)NCC[NH+](C(C)C)C(C)C ZINC000248267073 553128212 /nfs/dbraw/zinc/12/82/12/553128212.db2.gz ZZTLNWWDDWIHAF-UHFFFAOYSA-N 1 0 393.347 2.855 20 0 GFADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@H](C)Oc2ccc(Br)cc2)C1 ZINC000248261897 553128334 /nfs/dbraw/zinc/12/83/34/553128334.db2.gz WJNPYARPNFCDAR-WMLDXEAASA-N 1 0 399.329 2.689 20 0 GFADRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)c3nn(-c4ccc(F)cc4)cc3Br)C[C@H]12 ZINC000248561185 553131250 /nfs/dbraw/zinc/13/12/50/553131250.db2.gz AXMRSYMETNLBQE-RIEGTJTDSA-N 1 0 393.260 2.583 20 0 GFADRO C[C@@H](NC(=O)N1CC[N@@H+](C[C@H](C)O)[C@@H](C)C1)c1cccc(Br)c1 ZINC000248626056 553131725 /nfs/dbraw/zinc/13/17/25/553131725.db2.gz ODDHXKFQDMUYRP-MELADBBJSA-N 1 0 384.318 2.607 20 0 GFADRO C[C@H](O)C[N@@H+]1CCN(C(=O)Cc2cc(Cl)ccc2Br)[C@@H](C)C1 ZINC000248828122 553135351 /nfs/dbraw/zinc/13/53/51/553135351.db2.gz DIIPYLJAZVRIJK-RYUDHWBXSA-N 1 0 389.721 2.559 20 0 GFADRO Cc1ccc(NC(=O)C(=O)NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)cc1Br ZINC000248865693 553136270 /nfs/dbraw/zinc/13/62/70/553136270.db2.gz HBEAMCYYFSUEHT-OCCSQVGLSA-N 1 0 396.329 2.933 20 0 GFADRO COC(=O)[C@@H]1CC[N@H+](CCC(=O)Nc2ccccc2Br)C[C@@H]1C ZINC000248968129 553137483 /nfs/dbraw/zinc/13/74/83/553137483.db2.gz BYMIURWYGOAJGD-QWHCGFSZSA-N 1 0 383.286 2.909 20 0 GFADRO CS(=O)(=O)N1CCC[C@H](C[NH2+][C@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)C1 ZINC000248982234 553137878 /nfs/dbraw/zinc/13/78/78/553137878.db2.gz FTSBNFKQQPEDIC-OAUYIBNBSA-N 1 0 390.908 2.570 20 0 GFADRO CS(=O)(=O)N1CCC[C@H](C[NH2+][C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)C1 ZINC000248982232 553137961 /nfs/dbraw/zinc/13/79/61/553137961.db2.gz FTSBNFKQQPEDIC-JLZZUVOBSA-N 1 0 390.908 2.570 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc(Br)c(C)nc2OC)[C@@H](C)C1 ZINC000249146484 553140079 /nfs/dbraw/zinc/14/00/79/553140079.db2.gz UPJVISHXJNUWHW-NHYWBVRUSA-N 1 0 384.318 2.963 20 0 GFADRO C[C@@H](NC(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1)c1cccc(Br)c1 ZINC000249141207 553140241 /nfs/dbraw/zinc/14/02/41/553140241.db2.gz WBPDIUKECPEIOL-UONOGXRCSA-N 1 0 398.345 2.997 20 0 GFADRO COCCO[C@@H]1CCN([C@@H](C)C(=O)Nc2ccc(Br)c(C)c2)C1 ZINC000249344539 553142277 /nfs/dbraw/zinc/14/22/77/553142277.db2.gz JLKJEQRGHGZNOO-DZGCQCFKSA-N 1 0 385.302 2.822 20 0 GFADRO C[C@H](O)C[N@@H+]1CCN(Cc2cc(Br)cc3cccnc32)[C@@H](C)C1 ZINC000249496987 553143802 /nfs/dbraw/zinc/14/38/02/553143802.db2.gz HDQKACXMDBJJMK-KBPBESRZSA-N 1 0 378.314 2.884 20 0 GFADRO C[C@H](O)C[N@@H+]1CCN(CC(=O)Nc2cc(Cl)c(Cl)cc2Cl)[C@H](C)C1 ZINC000249508787 553143860 /nfs/dbraw/zinc/14/38/60/553143860.db2.gz LZCJXSDTTDLDSV-MNOVXSKESA-N 1 0 394.730 2.972 20 0 GFADRO C[C@H](O)C[N@@H+]1CCN(CC(=O)Nc2c(Cl)cc(Cl)cc2Cl)[C@H](C)C1 ZINC000249515751 553144222 /nfs/dbraw/zinc/14/42/22/553144222.db2.gz QQOPISYPMAADQN-MNOVXSKESA-N 1 0 394.730 2.972 20 0 GFADRO [NH3+][C@@H]1CC[C@@H]2CN(S(=O)(=O)c3cc(Cl)c(Br)cc3F)C[C@H]12 ZINC000249631106 553145140 /nfs/dbraw/zinc/14/51/40/553145140.db2.gz VGIWHENNEADLIZ-RGNHYFCHSA-N 1 0 397.697 2.599 20 0 GFADRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)[C@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1 ZINC000249875376 553146719 /nfs/dbraw/zinc/14/67/19/553146719.db2.gz GTSIPTBDOCCCDK-HFBAOOFYSA-N 1 0 384.307 2.712 20 0 GFADRO C[C@H]1CCN(Cc2cnn(-c3ccc(Br)cc3)c2)[C@@H](C(N)=O)C1 ZINC000250111464 553147501 /nfs/dbraw/zinc/14/75/01/553147501.db2.gz SXEYZMKRNBSQRK-BLLLJJGKSA-N 1 0 377.286 2.721 20 0 GFADRO COc1cc(Br)ccc1CNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000251708815 553148452 /nfs/dbraw/zinc/14/84/52/553148452.db2.gz KAGNXLSNNLYBBF-CABCVRRESA-N 1 0 382.302 2.836 20 0 GFADRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)c3cccc(I)c3)C2)C1 ZINC000294262843 563836246 /nfs/dbraw/zinc/83/62/46/563836246.db2.gz TVEJUXSIZPGSRL-MRXNPFEDSA-N 1 0 384.261 2.849 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000261377189 553153579 /nfs/dbraw/zinc/15/35/79/553153579.db2.gz XWPOKVXOLSAQKV-UONOGXRCSA-N 1 0 384.307 2.947 20 0 GFADRO C[C@@H](C[NH3+])C(=O)Nc1ccc(Br)c(I)c1 ZINC000261536331 553153601 /nfs/dbraw/zinc/15/36/01/553153601.db2.gz RHCRTEQDUSLCKD-LURJTMIESA-N 1 0 383.027 2.587 20 0 GFADRO O=C(c1cc(Br)sc1Br)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261584692 553153665 /nfs/dbraw/zinc/15/36/65/553153665.db2.gz SNOAIEIIUGWESV-HTQZYQBOSA-N 1 0 394.132 2.955 20 0 GFADRO C[NH2+][C@H](C)Cc1noc([C@H]2CCN(c3cccc(Br)c3)C2=O)n1 ZINC000261625742 553154541 /nfs/dbraw/zinc/15/45/41/553154541.db2.gz CBONUSXTNZUIHS-ZWNOBZJWSA-N 1 0 379.258 2.503 20 0 GFADRO CC1(CNS(=O)(=O)c2c(Cl)cccc2Br)CC[NH2+]CC1 ZINC000261689288 553156563 /nfs/dbraw/zinc/15/65/63/553156563.db2.gz HNXMYCRYXSRNHN-UHFFFAOYSA-N 1 0 381.723 2.771 20 0 GFADRO Cc1ccc(C[NH+]2CCC(c3nnc4n3CCNC4)CC2)c(Br)c1 ZINC000261709295 553156775 /nfs/dbraw/zinc/15/67/75/553156775.db2.gz JVPNRKWSPPZAEI-UHFFFAOYSA-N 1 0 390.329 2.832 20 0 GFADRO C[NH2+][C@@H](C)Cc1noc(CCC(=O)c2cc(Br)ccc2OC)n1 ZINC000261730967 553157348 /nfs/dbraw/zinc/15/73/48/553157348.db2.gz KEGYTKYKIIMESK-JTQLQIEISA-N 1 0 382.258 2.807 20 0 GFADRO C[NH2+][C@H](C)Cc1noc([C@H]2CC(=O)N(c3cccc(Br)c3)C2)n1 ZINC000261737100 553157539 /nfs/dbraw/zinc/15/75/39/553157539.db2.gz KTSZKATWXDORHZ-MNOVXSKESA-N 1 0 379.258 2.503 20 0 GFADRO Cc1cnn([C@@H]2CCCN(C(=O)[C@](C)([NH3+])c3ccc(Br)cc3)C2)c1 ZINC000261746881 553158079 /nfs/dbraw/zinc/15/80/79/553158079.db2.gz MIFAFHOIIJBYAA-SJLPKXTDSA-N 1 0 391.313 2.992 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H]2CN(S(=O)(=O)c3ccc(OC(F)F)c(Cl)c3)C[C@@H]21 ZINC000261798513 553159929 /nfs/dbraw/zinc/15/99/29/553159929.db2.gz ZSYIXLSSQQELNL-SUZMYJTESA-N 1 0 380.844 2.689 20 0 GFADRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)c1ccc(I)cc1Cl ZINC000261841250 553160480 /nfs/dbraw/zinc/16/04/80/553160480.db2.gz PCQISORFMHSFSB-RKDXNWHRSA-N 1 0 378.641 2.754 20 0 GFADRO CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1([NH3+])C(=O)NCCc1ccc(Br)cc1 ZINC000261851390 553160899 /nfs/dbraw/zinc/16/08/99/553160899.db2.gz JKPWADQBFKRDEN-HDMKZQKVSA-N 1 0 381.314 2.640 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)CC[C@H]1CC[NH2+]C1 ZINC000261852419 553161020 /nfs/dbraw/zinc/16/10/20/553161020.db2.gz NBOSGIJMVNAHFK-ZDUSSCGKSA-N 1 0 382.302 2.592 20 0 GFADRO O=C(N[C@H]1CCSc2ccc(Cl)cc21)C1(n2cccn2)CC[NH2+]CC1 ZINC000261865588 553161153 /nfs/dbraw/zinc/16/11/53/553161153.db2.gz COOJCDDHKLMVNE-HNNXBMFYSA-N 1 0 376.913 2.969 20 0 GFADRO O=C(Nc1ccc(N2CC[NH2+]CC2)cn1)c1ccc(F)cc1Br ZINC000261883964 553161618 /nfs/dbraw/zinc/16/16/18/553161618.db2.gz MWQNAPYHIBHMOH-UHFFFAOYSA-N 1 0 379.233 2.645 20 0 GFADRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 ZINC000261895895 553162050 /nfs/dbraw/zinc/16/20/50/553162050.db2.gz VYANGFYTVBFDLK-HSMVNMDESA-N 1 0 384.307 2.794 20 0 GFADRO Cc1cc(Br)ccc1C(=O)Nc1ccc(N2CC[NH2+]CC2)cn1 ZINC000261893928 553162233 /nfs/dbraw/zinc/16/22/33/553162233.db2.gz OAFLRABQULUTLB-UHFFFAOYSA-N 1 0 375.270 2.814 20 0 GFADRO CCN(CC)S(=O)(=O)c1cc(NC(=O)C[C@@H]2CCC[C@H]2[NH3+])ccc1Cl ZINC000261947038 553163433 /nfs/dbraw/zinc/16/34/33/553163433.db2.gz GFLGIPAQJHFZQK-SWLSCSKDSA-N 1 0 387.933 2.827 20 0 GFADRO COCC1(CNS(=O)(=O)c2c(Cl)ccc(C)c2Cl)CC[NH2+]CC1 ZINC000261971066 553163559 /nfs/dbraw/zinc/16/35/59/553163559.db2.gz IGSQHYOOQBZJQA-UHFFFAOYSA-N 1 0 381.325 2.596 20 0 GFADRO O=C(NC[C@H]1CCN(c2ccc(Br)cc2)C1)[C@H]1CC12CC[NH2+]CC2 ZINC000261963335 553163600 /nfs/dbraw/zinc/16/36/00/553163600.db2.gz SIELVVWWNXNKCM-RHSMWYFYSA-N 1 0 392.341 2.781 20 0 GFADRO CCOC(=O)c1cc2cc(S(=O)(=O)N[C@H]3CCC[C@H]([NH3+])C3)ccc2s1 ZINC000261969208 553163619 /nfs/dbraw/zinc/16/36/19/553163619.db2.gz BEPNOTFZPQIPNG-STQMWFEESA-N 1 0 382.507 2.626 20 0 GFADRO Cc1noc([C@H]2CCCN(C(=O)[C@@](C)([NH3+])c3ccc(Br)cc3)C2)n1 ZINC000261978867 553163899 /nfs/dbraw/zinc/16/38/99/553163899.db2.gz OIWMVHNSYZBSFD-SJCJKPOMSA-N 1 0 393.285 2.721 20 0 GFADRO C[C@@]([NH3+])(C(=O)NCc1ccc2c(c1)OCCO2)c1ccc(Br)cc1 ZINC000261989585 553164244 /nfs/dbraw/zinc/16/42/44/553164244.db2.gz QYUWVARMMBVBQT-SFHVURJKSA-N 1 0 391.265 2.711 20 0 GFADRO CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)C[C@@H]1COCC[NH2+]1 ZINC000262024460 553164477 /nfs/dbraw/zinc/16/44/77/553164477.db2.gz DFWWUOUHRSQKGJ-CYBMUJFWSA-N 1 0 388.295 2.549 20 0 GFADRO CC(=O)N[C@@H](CC(=O)Nc1ncc(C2CC[NH2+]CC2)s1)c1cccs1 ZINC000262032689 553164846 /nfs/dbraw/zinc/16/48/46/553164846.db2.gz KAASMDJYBGXKOA-ZDUSSCGKSA-N 1 0 378.523 2.878 20 0 GFADRO CN(C(=O)C[C@@H]1COCC[NH2+]1)[C@@H]1CCSc2ccc(Br)cc21 ZINC000262034651 553164869 /nfs/dbraw/zinc/16/48/69/553164869.db2.gz AVLFEWZPZHTTMR-TZMCWYRMSA-N 1 0 385.327 2.823 20 0 GFADRO C[C@]1(C[NH3+])CCN(C(=O)c2ccc(I)cc2Cl)C1 ZINC000262042350 553164892 /nfs/dbraw/zinc/16/48/92/553164892.db2.gz QIHGEIBBTROWOE-CYBMUJFWSA-N 1 0 378.641 2.756 20 0 GFADRO [NH3+][C@@H]1CCC[C@H]2CN(S(=O)(=O)c3cccc(Br)c3Cl)C[C@H]21 ZINC000262055994 553165239 /nfs/dbraw/zinc/16/52/39/553165239.db2.gz NGMSKOZTPQVVHB-HOSYDEDBSA-N 1 0 393.734 2.850 20 0 GFADRO O=C(C[C@@H]1COCC[NH2+]1)Nc1nc2ccc(OCC(F)(F)F)cc2s1 ZINC000262239598 553168127 /nfs/dbraw/zinc/16/81/27/553168127.db2.gz RINQBQQAWUTLEV-SECBINFHSA-N 1 0 375.372 2.554 20 0 GFADRO COC(=O)C[C@H](NC(=O)[C@H]1CCC[C@H]([NH3+])C1)c1cccc(Br)c1 ZINC000262258165 553168201 /nfs/dbraw/zinc/16/82/01/553168201.db2.gz FQVQOHUWXYUVFZ-QEJZJMRPSA-N 1 0 383.286 2.687 20 0 GFADRO COC[C@]1(CNS(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)CCC[NH2+]1 ZINC000262442180 553170753 /nfs/dbraw/zinc/17/07/53/553170753.db2.gz GXUNPRYGJTVKMV-CYBMUJFWSA-N 1 0 387.716 2.694 20 0 GFADRO C[C@@H](C[NH3+])C(=O)N[C@H](c1ccc(Cl)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000262527607 553171790 /nfs/dbraw/zinc/17/17/90/553171790.db2.gz LOLSHZROJBEMGY-YVEFUNNKSA-N 1 0 380.897 2.544 20 0 GFADRO C[C@@H](C(=O)N[C@@H](C)c1nc(-c2ccc(Br)cc2)no1)C1C[NH2+]C1 ZINC000262560003 553172611 /nfs/dbraw/zinc/17/26/11/553172611.db2.gz QMVKFOOUCRMMPP-ZJUUUORDSA-N 1 0 379.258 2.532 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)c2cc(F)c(F)cc2I)C1 ZINC000262605762 553172974 /nfs/dbraw/zinc/17/29/74/553172974.db2.gz ZCSBHDZCIYXYJS-RKDXNWHRSA-N 1 0 394.203 2.769 20 0 GFADRO COCC[C@@H](Cc1cccc(Br)c1)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262594392 553173047 /nfs/dbraw/zinc/17/30/47/553173047.db2.gz IKVDZHRUTNERLI-JQHSSLGASA-N 1 0 395.341 2.997 20 0 GFADRO Cc1ccc([C@H]([NH3+])C(=O)N2CCC(n3cc(Br)cn3)CC2)cc1 ZINC000262689661 553174067 /nfs/dbraw/zinc/17/40/67/553174067.db2.gz ZDFCXIXJCMXHCC-INIZCTEOSA-N 1 0 377.286 2.818 20 0 GFADRO O=C(NCCc1ccc(Br)cc1)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000262715964 553174657 /nfs/dbraw/zinc/17/46/57/553174657.db2.gz GRTODYAEZJVRRV-OAHLLOKOSA-N 1 0 377.286 2.543 20 0 GFADRO CCOc1ccc(S(=O)(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)cc1Br ZINC000262727948 553174739 /nfs/dbraw/zinc/17/47/39/553174739.db2.gz BUHGDQSLQJFKQG-RYUDHWBXSA-N 1 0 391.331 2.596 20 0 GFADRO C[C@H](Cc1ccccc1Br)NC(=O)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000262774037 553175640 /nfs/dbraw/zinc/17/56/40/553175640.db2.gz MPUMUKQECHFFJS-UKRRQHHQSA-N 1 0 391.313 2.931 20 0 GFADRO C[C@@H](Cc1ccccc1Br)NC(=O)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000262774039 553175818 /nfs/dbraw/zinc/17/58/18/553175818.db2.gz MPUMUKQECHFFJS-ZFWWWQNUSA-N 1 0 391.313 2.931 20 0 GFADRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)CCc1nc(-c2cc(Br)cs2)no1 ZINC000262840806 553176849 /nfs/dbraw/zinc/17/68/49/553176849.db2.gz RIAQLLZWZUQROH-ONGXEEELSA-N 1 0 399.314 2.607 20 0 GFADRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)c1ccc(I)cc1Cl ZINC000262846853 553176921 /nfs/dbraw/zinc/17/69/21/553176921.db2.gz RWOVDMSDJFHYJN-QPUJVOFHSA-N 1 0 378.641 2.672 20 0 GFADRO Cc1c(C(=O)N[C@H]2CC[NH2+]C[C@@H]2C)cnn1-c1ccc(Br)cc1 ZINC000262871299 553177617 /nfs/dbraw/zinc/17/76/17/553177617.db2.gz VBSOMRKPZABQOG-ZBEGNZNMSA-N 1 0 377.286 2.671 20 0 GFADRO COc1cc(CNC(=O)[C@@H]2CCCC[C@@]2(C)[NH3+])cc(Br)c1OC ZINC000263316132 553185726 /nfs/dbraw/zinc/18/57/26/553185726.db2.gz ZLNQKPDKFKFSCP-YVEFUNNKSA-N 1 0 385.302 2.990 20 0 GFADRO COc1c(Cl)cc(NC(=O)C(=O)NC2CC[NH+](C3CC3)CC2)cc1Cl ZINC000263657949 553190075 /nfs/dbraw/zinc/19/00/75/553190075.db2.gz FUGQUGDGLPFDEH-UHFFFAOYSA-N 1 0 386.279 2.684 20 0 GFADRO Cc1ccc([C@H](CNC(=O)Cn2cc(Br)cn2)[NH+]2CCCC2)o1 ZINC000263657735 553190159 /nfs/dbraw/zinc/19/01/59/553190159.db2.gz CGLMJEZSHGSGKC-AWEZNQCLSA-N 1 0 381.274 2.500 20 0 GFADRO COCCC[NH+]1CCC(NC(=O)CCOc2ccccc2Br)CC1 ZINC000263725734 553192479 /nfs/dbraw/zinc/19/24/79/553192479.db2.gz GFGFWUPCVNGCNR-UHFFFAOYSA-N 1 0 399.329 2.835 20 0 GFADRO Cc1ccc(C[NH2+][C@H](C)Cn2cc(Br)cn2)cc1S(C)(=O)=O ZINC000446903585 563869891 /nfs/dbraw/zinc/86/98/91/563869891.db2.gz BEDAFMRNTSJXIO-GFCCVEGCSA-N 1 0 386.315 2.536 20 0 GFADRO CC(C)(C[NH3+])NC(=O)NCc1cc(Br)ccc1Br ZINC000418051393 563896799 /nfs/dbraw/zinc/89/67/99/563896799.db2.gz YEOAGPKRVHYOOQ-UHFFFAOYSA-N 1 0 379.096 2.748 20 0 GFADRO Cc1cc(CNC(=O)NCCC2=CC[NH2+]CC2)ccc1I ZINC000418139645 563899842 /nfs/dbraw/zinc/89/98/42/563899842.db2.gz IAQSWIFGVXZRLL-UHFFFAOYSA-N 1 0 399.276 2.709 20 0 GFADRO OC1CCN(CC[NH2+]Cc2ccc(OC(F)F)c(Br)c2)CC1 ZINC000449647347 564193698 /nfs/dbraw/zinc/19/36/98/564193698.db2.gz PPOITQFLVFPJBR-UHFFFAOYSA-N 1 0 379.245 2.597 20 0 GFADRO C[C@H](C[C@@H]1CCCO1)[NH2+]CCS(=O)(=O)c1cccc(Br)c1 ZINC000563952666 564214539 /nfs/dbraw/zinc/21/45/39/564214539.db2.gz PCQJHAZDHHMADT-OCCSQVGLSA-N 1 0 376.316 2.770 20 0 GFADRO COC(=O)c1cc(NC(=O)N[C@@H](C)C[C@H](C)[NH3+])cc(Br)c1F ZINC000566914893 564350061 /nfs/dbraw/zinc/35/00/61/564350061.db2.gz DCCMTEVLRZPAMN-YUMQZZPRSA-N 1 0 376.226 2.622 20 0 GFADRO C[C@@H](O)C[N@@H+]1CCN(c2cc(C(F)(F)F)c(Br)cn2)C[C@H]1C ZINC000567751996 564387390 /nfs/dbraw/zinc/38/73/90/564387390.db2.gz VJOHSTBHWSPAMI-NXEZZACHSA-N 1 0 382.224 2.754 20 0 GFADRO CC(C)[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2cc(Br)ccc2F)C1 ZINC000452109377 564394117 /nfs/dbraw/zinc/39/41/17/564394117.db2.gz YATNWEIFTGYSQP-LBPRGKRZSA-N 1 0 379.295 2.691 20 0 GFADRO C[C@@H]([NH2+]CC1([S@](C)=O)CC1)c1ccc(F)c(I)c1 ZINC000453215581 564449349 /nfs/dbraw/zinc/44/93/49/564449349.db2.gz NYXWGXHKAGMCML-LZVRBXCZSA-N 1 0 381.254 2.992 20 0 GFADRO C[C@@H]1CC[N@H+](C)CCN1C(=O)C(=O)Nc1cc(Cl)cc(Br)c1 ZINC000453704532 564467297 /nfs/dbraw/zinc/46/72/97/564467297.db2.gz FJHZRVBRQWIJMV-SNVBAGLBSA-N 1 0 388.693 2.594 20 0 GFADRO O[C@@H](C[NH2+]Cc1cc(Br)cc(Br)c1)[C@@H]1CCOC1 ZINC000582627837 564854269 /nfs/dbraw/zinc/85/42/69/564854269.db2.gz GZGDPUWCAVTKAY-MFKMUULPSA-N 1 0 379.092 2.699 20 0 GFADRO Cc1nc(CNC(=O)NCC[N@@H+](C)C2CCCC2)sc1Br ZINC000454469601 564511402 /nfs/dbraw/zinc/51/14/02/564511402.db2.gz QPUYOOGDYTZZBA-UHFFFAOYSA-N 1 0 375.336 2.888 20 0 GFADRO COCCN(Cc1ccc(Br)s1)C(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000418587391 563220886 /nfs/dbraw/zinc/22/08/86/563220886.db2.gz GQLCLNGNPHNQOE-AAEUAGOBSA-N 1 0 390.347 2.667 20 0 GFADRO Cc1cc(S(=O)(=O)N2CCCC[C@H]2[C@@H]2CC[NH2+]C2)sc1Br ZINC000420460389 563264423 /nfs/dbraw/zinc/26/44/23/563264423.db2.gz KXVVZWKPJDFOOC-NEPJUHHUSA-N 1 0 393.372 2.972 20 0 GFADRO Cc1cc(F)c(Br)cc1S(=O)(=O)N1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000420483796 563266113 /nfs/dbraw/zinc/26/61/13/563266113.db2.gz WVHZAHZYROXCQY-GXSJLCMTSA-N 1 0 379.295 2.502 20 0 GFADRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)Nc1ccc(Cl)cc1Br ZINC000421299092 563305836 /nfs/dbraw/zinc/30/58/36/563305836.db2.gz NIMRJPVDEBTZKJ-NSHDSACASA-N 1 0 388.693 2.594 20 0 GFADRO CC1(C)CN(C(=O)NCCc2c[nH]c3cccc(Br)c23)CC[NH2+]1 ZINC000418194992 563213344 /nfs/dbraw/zinc/21/33/44/563213344.db2.gz FIQJZDCNROBYFC-UHFFFAOYSA-N 1 0 379.302 2.866 20 0 GFADRO Cc1nn(C)cc1[C@H](C)[NH2+][C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000277555158 563213458 /nfs/dbraw/zinc/21/34/58/563213458.db2.gz RGZOOMFKIGSZFB-MEDUHNTESA-N 1 0 377.286 2.947 20 0 GFADRO CO[C@@H]1CCN(C(=O)N[C@@H](C)c2ccc(F)c(Br)c2)[C@@H](C[NH3+])C1 ZINC000418212484 563213862 /nfs/dbraw/zinc/21/38/62/563213862.db2.gz GFBWPSOSHDQVDB-CYZMBNFOSA-N 1 0 388.281 2.797 20 0 GFADRO COc1ccc(C[NH2+]C2CCC(CS(C)(=O)=O)CC2)c(OC(F)F)c1 ZINC000294729645 563214401 /nfs/dbraw/zinc/21/44/01/563214401.db2.gz KOVFVTUSVGKROA-UHFFFAOYSA-N 1 0 377.453 2.990 20 0 GFADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)c1cc(Cl)c(F)cc1Br ZINC000294735199 563214531 /nfs/dbraw/zinc/21/45/31/563214531.db2.gz WBXMNTWHIYVGAP-JTQLQIEISA-N 1 0 392.700 2.607 20 0 GFADRO Brc1ccc2ncc(C[NH2+]C3CCN(c4cccnn4)CC3)n2c1 ZINC000277592025 563215381 /nfs/dbraw/zinc/21/53/81/563215381.db2.gz HUUOXGMIQMLBAN-UHFFFAOYSA-N 1 0 387.285 2.645 20 0 GFADRO [NH3+]CCCNC(=O)N1CCC[C@H]1c1nc(-c2ccccc2Br)no1 ZINC000418363474 563216511 /nfs/dbraw/zinc/21/65/11/563216511.db2.gz VWDDUBCNCFPKMX-ZDUSSCGKSA-N 1 0 394.273 2.694 20 0 GFADRO CC(C)C[C@@H](C[NH3+])NC(=O)N1CCO[C@@H](c2cccc(Br)c2)C1 ZINC000418442159 563218011 /nfs/dbraw/zinc/21/80/11/563218011.db2.gz MRBWYABZGHTWDP-JKSUJKDBSA-N 1 0 384.318 2.905 20 0 GFADRO COCCN(Cc1sccc1Br)C(=O)N[C@H]1CCC[C@H]1C[NH3+] ZINC000418465537 563218128 /nfs/dbraw/zinc/21/81/28/563218128.db2.gz NGBIVVMHHUKXRZ-AAEUAGOBSA-N 1 0 390.347 2.796 20 0 GFADRO [NH3+][C@@H](CNC(=O)N1CCC[C@H]1C(=O)Nc1cc(Cl)cc(Cl)c1)C1CC1 ZINC000418502364 563218745 /nfs/dbraw/zinc/21/87/45/563218745.db2.gz UQYLGASHUCKSOZ-GJZGRUSLSA-N 1 0 385.295 2.843 20 0 GFADRO C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)NC[C@H]([NH3+])C2CC2)CC1 ZINC000418480980 563218772 /nfs/dbraw/zinc/21/87/72/563218772.db2.gz CGLBWFSXIUUWKZ-GUYCJALGSA-N 1 0 395.345 2.575 20 0 GFADRO COCC[NH2+]CCNC(=O)N1CCC(c2cccc(Br)c2)CC1 ZINC000418505999 563218934 /nfs/dbraw/zinc/21/89/34/563218934.db2.gz GZVNDMYQSQXOJZ-UHFFFAOYSA-N 1 0 384.318 2.574 20 0 GFADRO [NH3+]C1(CNC(=O)N2CCC[C@H](Nc3cccc(Br)c3)C2)CCC1 ZINC000418527981 563219605 /nfs/dbraw/zinc/21/96/05/563219605.db2.gz QQKMDJBNNILMKB-HNNXBMFYSA-N 1 0 381.318 2.916 20 0 GFADRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N[C@@H](CO)c1ccc(Cl)cc1C(F)(F)F ZINC000418573698 563220341 /nfs/dbraw/zinc/22/03/41/563220341.db2.gz LMLUKRAPYWJTMZ-IIMNLJJBSA-N 1 0 379.810 2.689 20 0 GFADRO C[C@H]1C[N@H+](CCCNC(=O)[C@H](O)c2cc(Cl)cc(Cl)c2)CCCO1 ZINC000277682255 563220928 /nfs/dbraw/zinc/22/09/28/563220928.db2.gz VCVLVLOBWKNBBS-BLLLJJGKSA-N 1 0 375.296 2.644 20 0 GFADRO COCC1(CNC(=O)N(C)Cc2cccc(Br)c2)CC[NH2+]CC1 ZINC000418638036 563221379 /nfs/dbraw/zinc/22/13/79/563221379.db2.gz KSQUSDRNCPQNLO-UHFFFAOYSA-N 1 0 384.318 2.607 20 0 GFADRO COCC1(CNC(=O)N(C)Cc2ccc(Br)s2)CC[NH2+]CC1 ZINC000418637783 563221564 /nfs/dbraw/zinc/22/15/64/563221564.db2.gz KJBIBDHWKNQQEE-UHFFFAOYSA-N 1 0 390.347 2.668 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)c2nn(C)cc2Br)CC[N@@H+]1Cc1ccccc1 ZINC000294914198 563221759 /nfs/dbraw/zinc/22/17/59/563221759.db2.gz KAUUKWDPTUIJIE-UKRRQHHQSA-N 1 0 391.313 2.966 20 0 GFADRO C[C@@H](CCCC[NH3+])NC(=O)N(CCO)Cc1cc(Br)ccc1F ZINC000418690498 563222307 /nfs/dbraw/zinc/22/23/07/563222307.db2.gz GZBBMNOLAOVUHB-LBPRGKRZSA-N 1 0 390.297 2.610 20 0 GFADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[N@@H+]1CCC[C@@H](COC)C1 ZINC000294948529 563222779 /nfs/dbraw/zinc/22/27/79/563222779.db2.gz VKIKSIBNFCORKF-ZIAGYGMSSA-N 1 0 399.329 2.821 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H](CNC(=O)N[C@H](CCO)c2ccccc2Br)C1 ZINC000418735799 563223535 /nfs/dbraw/zinc/22/35/35/563223535.db2.gz WRGKKGVMINUVHA-XJKCOSOUSA-N 1 0 384.318 2.689 20 0 GFADRO CC[C@H]([NH3+])CNC(=O)N[C@H](CO)c1ccc(Br)cc1C(F)(F)F ZINC000418724954 563223752 /nfs/dbraw/zinc/22/37/52/563223752.db2.gz KLYKMYLUXFCULO-JOYOIKCWSA-N 1 0 398.223 2.538 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2C(=O)Cc1cccc(Br)c1 ZINC000369770134 563224195 /nfs/dbraw/zinc/22/41/95/563224195.db2.gz CCBXQKXUJDCYTH-IKGGRYGDSA-N 1 0 381.314 2.702 20 0 GFADRO CN(Cc1ccc(F)cc1Br)C(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000418749918 563224286 /nfs/dbraw/zinc/22/42/86/563224286.db2.gz CSLOJYZHLPKZGV-LBPRGKRZSA-N 1 0 380.208 2.727 20 0 GFADRO C[C@@H](CNC(=O)COc1c(Cl)cc(Cl)cc1Cl)N1CC[NH+](C)CC1 ZINC000294995693 563224560 /nfs/dbraw/zinc/22/45/60/563224560.db2.gz VBYXCQHUQZQBDF-NSHDSACASA-N 1 0 394.730 2.778 20 0 GFADRO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)c1c(Br)cnn1C ZINC000294984732 563224834 /nfs/dbraw/zinc/22/48/34/563224834.db2.gz OXFZDCOAQYAPGR-UHFFFAOYSA-N 1 0 399.255 2.919 20 0 GFADRO CC(C)[C@@](C)(NC(=O)NC[C@H]1C[NH2+]CCN1C)c1ccc(Br)cc1 ZINC000418768316 563225242 /nfs/dbraw/zinc/22/52/42/563225242.db2.gz RPLATCOJMFMAKT-SJLPKXTDSA-N 1 0 397.361 2.523 20 0 GFADRO O=C(N[C@@H](CCO)c1ccccc1Br)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000418807081 563226042 /nfs/dbraw/zinc/22/60/42/563226042.db2.gz YYAVBEGAYFTCLK-OEUWWYETSA-N 1 0 396.329 2.560 20 0 GFADRO O=C(NCCC[NH+]1CCC(O)CC1)c1cc(Cl)c(F)cc1Br ZINC000295030568 563226102 /nfs/dbraw/zinc/22/61/02/563226102.db2.gz RKUGXJMJWROGCJ-UHFFFAOYSA-N 1 0 393.684 2.818 20 0 GFADRO C[C@H]([NH3+])C1CCN(C(=O)C(=O)N[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)CC1 ZINC000418821325 563226475 /nfs/dbraw/zinc/22/64/75/563226475.db2.gz VAOOPTOJCLSDQA-YNZJMPHRSA-N 1 0 384.307 2.551 20 0 GFADRO C[C@H](NC(=O)C(=O)N1CC[C@H]([NH3+])[C@H](C)C1)c1cc(F)c(Cl)cc1Cl ZINC000418833391 563227158 /nfs/dbraw/zinc/22/71/58/563227158.db2.gz IIIKRWCFJZAZSW-ITMYJUKJSA-N 1 0 376.259 2.505 20 0 GFADRO C[C@H]([NH3+])C1CCN(C(=O)C(=O)N[C@@H](C)c2cc(F)c(Cl)cc2Cl)CC1 ZINC000418838262 563227201 /nfs/dbraw/zinc/22/72/01/563227201.db2.gz CBAAZJZMUGBQDO-UWVGGRQHSA-N 1 0 390.286 2.896 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N[C@@H](C)c2cc(F)c(Cl)cc2Cl)C1 ZINC000418847961 563227394 /nfs/dbraw/zinc/22/73/94/563227394.db2.gz KJLLYQCZORKFPX-UTLUCORTSA-N 1 0 376.259 2.505 20 0 GFADRO C[NH2+]C[C@H]1CCCN(C(=O)C(=O)N[C@@H](C)c2cc(F)c(Cl)cc2Cl)C1 ZINC000418848180 563227455 /nfs/dbraw/zinc/22/74/55/563227455.db2.gz KVRANULRIABXDM-WDEREUQCSA-N 1 0 390.286 2.768 20 0 GFADRO Cc1c(Br)cc(C(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)c(=O)n1C ZINC000277820240 563227935 /nfs/dbraw/zinc/22/79/35/563227935.db2.gz OVWRADDUDGOPHB-AWEZNQCLSA-N 1 0 396.329 2.547 20 0 GFADRO Cc1c[nH+]ccc1N1CCC(C(=O)Nc2sccc2S(C)(=O)=O)CC1 ZINC000369927212 563228199 /nfs/dbraw/zinc/22/81/99/563228199.db2.gz OUXOQGYLOXXHCG-UHFFFAOYSA-N 1 0 379.507 2.710 20 0 GFADRO O=S1(=O)CC[C@H]([NH2+]C2CCN(Cc3c(Cl)cccc3Cl)CC2)C1 ZINC000369903874 563228240 /nfs/dbraw/zinc/22/82/40/563228240.db2.gz DAVIYQHEZSBWTJ-ZDUSSCGKSA-N 1 0 377.337 2.735 20 0 GFADRO C[C@@H]1CN(C(=O)C(=O)N[C@H]2C[C@H](c3ccc(Cl)c(Cl)c3)C2)C[C@H](C)[NH2+]1 ZINC000418891912 563229276 /nfs/dbraw/zinc/22/92/76/563229276.db2.gz MQOOTKVNTKGAPW-GBVPACDZSA-N 1 0 384.307 2.564 20 0 GFADRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)c2cccnc2-n2cc(Br)cn2)C1 ZINC000295111405 563229553 /nfs/dbraw/zinc/22/95/53/563229553.db2.gz LIKGUVLJRGJIGE-KBPBESRZSA-N 1 0 392.301 2.632 20 0 GFADRO C[C@@]1(C[NH3+])CCN(C(=O)C(=O)N[C@H]2C[C@H](c3ccc(Cl)c(Cl)c3)C2)C1 ZINC000418887984 563229579 /nfs/dbraw/zinc/22/95/79/563229579.db2.gz FEPZSASVILKQHI-LXIYXOSZSA-N 1 0 384.307 2.553 20 0 GFADRO C[C@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH2+][C@H]1CCCNC1=O ZINC000295139106 563231074 /nfs/dbraw/zinc/23/10/74/563231074.db2.gz ZHZHLVUAZRHSMG-RNCFNFMXSA-N 1 0 377.794 2.944 20 0 GFADRO C[C@H]1C[N@H+](CCCNC(=O)[C@H](O)c2ccc(Cl)c(Cl)c2)CCCO1 ZINC000295154876 563231693 /nfs/dbraw/zinc/23/16/93/563231693.db2.gz NYSDUYUPTZCFEB-BLLLJJGKSA-N 1 0 375.296 2.644 20 0 GFADRO C[C@@H](NC(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1cc(Cl)ccc1Cl ZINC000418951142 563231940 /nfs/dbraw/zinc/23/19/40/563231940.db2.gz HXRDQJJNKQPQEI-HKUMRIAESA-N 1 0 384.307 2.675 20 0 GFADRO O=C(NCCCc1ccc(Cl)cc1Cl)C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000419043215 563232361 /nfs/dbraw/zinc/23/23/61/563232361.db2.gz QSLAHXDEDZOZPJ-ZDUSSCGKSA-N 1 0 386.323 2.548 20 0 GFADRO CCC([NH3+])(CC)CNC(=O)C(=O)N[C@@H](C)CCc1ccc(Br)cc1 ZINC000419019078 563232451 /nfs/dbraw/zinc/23/24/51/563232451.db2.gz IVWFSKTZQBPQLR-ZDUSSCGKSA-N 1 0 398.345 2.520 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)NCCCc1ccc(Cl)cc1Cl ZINC000419044489 563233124 /nfs/dbraw/zinc/23/31/24/563233124.db2.gz UIMSQXMIMHQKQA-LRDDRELGSA-N 1 0 386.323 2.771 20 0 GFADRO C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCc3c2ccc(Cl)c3Cl)C[C@H]1C[NH3+] ZINC000419105790 563234001 /nfs/dbraw/zinc/23/40/01/563234001.db2.gz VEWRDOVXNQANMW-HFAKWTLXSA-N 1 0 384.307 2.540 20 0 GFADRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N[C@@H]1CCSc2ccc(Cl)cc21 ZINC000419202076 563234367 /nfs/dbraw/zinc/23/43/67/563234367.db2.gz DAOYWSQYQBUNHW-LSDHHAIUSA-N 1 0 383.945 2.825 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N[C@@H]1CCSc2ccc(Cl)cc21 ZINC000419201088 563234447 /nfs/dbraw/zinc/23/44/47/563234447.db2.gz BUURSEONAOSYQY-GLQYFDAESA-N 1 0 381.929 2.721 20 0 GFADRO COc1cc(Br)c(C(=O)N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cc1OC ZINC000295216953 563236382 /nfs/dbraw/zinc/23/63/82/563236382.db2.gz XSVNTZKQFPAQFV-MNOVXSKESA-N 1 0 383.286 2.821 20 0 GFADRO COC(=O)CNC(=O)[C@H]1CCC[N@@H+]1CC/C=C\c1ccc(Br)cc1 ZINC000419344453 563237584 /nfs/dbraw/zinc/23/75/84/563237584.db2.gz HYYZMPGJBAHGHX-SVERHTFXSA-N 1 0 395.297 2.606 20 0 GFADRO C[C@H](CNC(=O)Cc1cc[nH]c(=O)c1Br)[N@H+](C)Cc1ccccc1 ZINC000278052729 563238157 /nfs/dbraw/zinc/23/81/57/563238157.db2.gz UABZUMXAJAKLMT-CYBMUJFWSA-N 1 0 392.297 2.729 20 0 GFADRO CN(C(=O)c1c(Br)cnn1C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000295253556 563238478 /nfs/dbraw/zinc/23/84/78/563238478.db2.gz KGTJLDAUKQVUJV-HNNXBMFYSA-N 1 0 391.313 2.919 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)NCC(C)(C)c2ccc(Cl)c(Cl)c2)C1 ZINC000419359620 563238708 /nfs/dbraw/zinc/23/87/08/563238708.db2.gz MIPMQZSQLZIWFI-RYUDHWBXSA-N 1 0 386.323 2.583 20 0 GFADRO C[C@H](NC(=O)N1C[C@H](C)[N@H+](CCO)C[C@@H]1C)c1ccc(Br)cc1 ZINC000419399291 563239252 /nfs/dbraw/zinc/23/92/52/563239252.db2.gz IPSLUTBVTVSEFO-IHRRRGAJSA-N 1 0 384.318 2.607 20 0 GFADRO C[C@@H](CNC(=O)C(=O)N1CCC[C@@H](CC[NH3+])C1)c1c(Cl)cccc1Cl ZINC000419520296 563241330 /nfs/dbraw/zinc/24/13/30/563241330.db2.gz PUVFOFQSMZAARX-STQMWFEESA-N 1 0 386.323 2.801 20 0 GFADRO CC[NH2+]CCNC(=O)C(=O)N[C@@H](C)c1ccc(-c2ccc(Cl)cc2)s1 ZINC000419617468 563243849 /nfs/dbraw/zinc/24/38/49/563243849.db2.gz VJZDHZASMAEUNZ-LBPRGKRZSA-N 1 0 379.913 2.971 20 0 GFADRO CS[C@@H](C[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1)C(C)(C)C ZINC000419687330 563245177 /nfs/dbraw/zinc/24/51/77/563245177.db2.gz DPMWNAWNRVRZHD-ZDUSSCGKSA-N 1 0 395.388 2.964 20 0 GFADRO Cc1cc(Br)ccc1C[N@@H+](C)[C@@H]1CCN(C2CCOCC2)C1=O ZINC000370497434 563245742 /nfs/dbraw/zinc/24/57/42/563245742.db2.gz BWJCMJQTWVSOGS-QGZVFWFLSA-N 1 0 381.314 2.969 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000278237254 563246005 /nfs/dbraw/zinc/24/60/05/563246005.db2.gz SJINKOGMCQBXPI-UHFFFAOYSA-N 1 0 394.313 2.687 20 0 GFADRO C[N@@H+]1CC[C@@H]2CCN([C@H]3CCN(c4cccc(Br)c4)C3=O)C[C@@H]21 ZINC000370501326 563246523 /nfs/dbraw/zinc/24/65/23/563246523.db2.gz VZFCQCQOSJEPIY-COXVUDFISA-N 1 0 378.314 2.580 20 0 GFADRO Cc1ccc(-n2nc(Br)cc2C(=O)N[C@@H]2CC[NH2+][C@H](C)C2)cc1 ZINC000278244852 563246737 /nfs/dbraw/zinc/24/67/37/563246737.db2.gz LXJOVCMDCQONKH-CHWSQXEVSA-N 1 0 377.286 2.814 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)C(=O)NCC(C)(C)c2c(Cl)cccc2Cl)C1 ZINC000419698145 563246765 /nfs/dbraw/zinc/24/67/65/563246765.db2.gz SCAYFJGUQAXYIU-NEPJUHHUSA-N 1 0 386.323 2.583 20 0 GFADRO Cc1c2cc(Cl)ccc2sc1CNC(=O)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000419720385 563247949 /nfs/dbraw/zinc/24/79/49/563247949.db2.gz XYNIPQKISMONRX-ZDUSSCGKSA-N 1 0 379.913 2.738 20 0 GFADRO COCC[C@H]([NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1)C(C)(C)C ZINC000419731996 563248701 /nfs/dbraw/zinc/24/87/01/563248701.db2.gz RGAXJPFXKMBFBZ-AWEZNQCLSA-N 1 0 393.347 2.637 20 0 GFADRO C[NH+](C)CCc1ccc(NC(=O)Cc2cc[nH]c(=O)c2Br)cc1 ZINC000278291966 563248898 /nfs/dbraw/zinc/24/88/98/563248898.db2.gz ZSVMZFIEQIJJJQ-UHFFFAOYSA-N 1 0 378.270 2.835 20 0 GFADRO CC[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)N[C@H]1CCC[NH2+][C@@H]1C ZINC000419755140 563249300 /nfs/dbraw/zinc/24/93/00/563249300.db2.gz PYHNWBFSYLCKMK-XFJVYGCCSA-N 1 0 386.323 2.687 20 0 GFADRO CC[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000419753480 563249552 /nfs/dbraw/zinc/24/95/52/563249552.db2.gz NTESANQVFXLHHZ-SGIREYDYSA-N 1 0 386.323 2.626 20 0 GFADRO CC[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)N[C@@H]1CCC[C@@H]1C[NH3+] ZINC000419754386 563249588 /nfs/dbraw/zinc/24/95/88/563249588.db2.gz OSNUBTIIALXRHL-XNRPHZJLSA-N 1 0 386.323 2.674 20 0 GFADRO CC[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000419771029 563250407 /nfs/dbraw/zinc/25/04/07/563250407.db2.gz LVZGKTRRETUXQD-SWLSCSKDSA-N 1 0 386.323 2.547 20 0 GFADRO O=C(CCCc1ccccc1Br)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000370679648 563252226 /nfs/dbraw/zinc/25/22/26/563252226.db2.gz VTEYKHQNTBIVFA-JKSUJKDBSA-N 1 0 381.314 2.751 20 0 GFADRO O=C(NOCc1ccc(F)cc1Br)N[C@@H]1CCc2[nH]cnc2C1 ZINC000370687665 563252604 /nfs/dbraw/zinc/25/26/04/563252604.db2.gz DGMVOOXSASVDFG-LLVKDONJSA-N 1 0 383.221 2.600 20 0 GFADRO C[C@@H]1c2cc(Cl)cc(Cl)c2CCN1C(=O)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000419862878 563252691 /nfs/dbraw/zinc/25/26/91/563252691.db2.gz QYZDYVJWONHCAT-VXGBXAGGSA-N 1 0 384.307 2.555 20 0 GFADRO C[C@@H]1c2cc(Cl)c(Cl)cc2CCN1C(=O)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000419915675 563253015 /nfs/dbraw/zinc/25/30/15/563253015.db2.gz PNFFOJBLXOZVSJ-VXGBXAGGSA-N 1 0 384.307 2.555 20 0 GFADRO COCCC[NH+]1CCC(NC(=O)c2c(F)ccc(Br)c2F)CC1 ZINC000278385662 563253188 /nfs/dbraw/zinc/25/31/88/563253188.db2.gz AEGZTGYLKQBQFK-UHFFFAOYSA-N 1 0 391.256 2.958 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]C[C@H]1CCOC[C@@H]1C ZINC000295580354 563254317 /nfs/dbraw/zinc/25/43/17/563254317.db2.gz BLGVERDUSMRXNH-MELADBBJSA-N 1 0 399.329 2.725 20 0 GFADRO C[NH+](C)CC[C@](C)(O)CNC(=O)c1cc(Cl)cc(Br)c1F ZINC000419969622 563254722 /nfs/dbraw/zinc/25/47/22/563254722.db2.gz AHAMIMNSDHNNHL-AWEZNQCLSA-N 1 0 381.673 2.674 20 0 GFADRO C[C@H](Cc1ccc(Br)cc1)C(=O)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000295600638 563255567 /nfs/dbraw/zinc/25/55/67/563255567.db2.gz XBYOCNDCNSVBRX-PBHICJAKSA-N 1 0 383.330 2.591 20 0 GFADRO Cc1cc([C@H]2CCCN2C(=O)C(=O)NC[C@@H]([NH3+])C(C)C)ccc1Br ZINC000420015850 563256772 /nfs/dbraw/zinc/25/67/72/563256772.db2.gz MIYSOVMMOOTQJE-HZPDHXFCSA-N 1 0 396.329 2.521 20 0 GFADRO O=C(Cc1ccccc1I)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000370805812 563256764 /nfs/dbraw/zinc/25/67/64/563256764.db2.gz JQNOESFYZBFDTB-KBPBESRZSA-N 1 0 384.261 2.577 20 0 GFADRO CCCC[C@@H](C[NH3+])NC(=O)C(=O)N(Cc1cccs1)Cc1cccs1 ZINC000420147312 563258794 /nfs/dbraw/zinc/25/87/94/563258794.db2.gz SDLIUDIKWSYICK-AWEZNQCLSA-N 1 0 379.551 2.972 20 0 GFADRO COc1ccccc1N1CC[C@@H](C[NH2+]Cc2c(Br)cnn2C)C1 ZINC000278508172 563259366 /nfs/dbraw/zinc/25/93/66/563259366.db2.gz OLFCZNWIKAVKSM-ZDUSSCGKSA-N 1 0 379.302 2.807 20 0 GFADRO Cn1cc([C@@H]2[C@@H](CNC(=O)c3coc(Br)c3)CCC[N@@H+]2C)cn1 ZINC000370912319 563259912 /nfs/dbraw/zinc/25/99/12/563259912.db2.gz SRXNHILIGNPDLA-ABAIWWIYSA-N 1 0 381.274 2.589 20 0 GFADRO Cc1ccc(-n2ncc(N3CC[C@H]4C[NH2+]C[C@@H]4C3)c(Cl)c2=O)cc1Cl ZINC000420268975 563261382 /nfs/dbraw/zinc/26/13/82/563261382.db2.gz XYDYXEMRAIBWBG-QWHCGFSZSA-N 1 0 379.291 2.893 20 0 GFADRO [NH3+][C@H]1CCC[C@@H](CNc2ncnc3ccc(I)cc32)C1 ZINC000420290612 563262044 /nfs/dbraw/zinc/26/20/44/563262044.db2.gz UQXRWLGBMOVNRS-PWSUYJOCSA-N 1 0 382.249 3.164 20 0 GFADRO Cc1ccc(Br)cc1-c1nnc(N2CCCO[C@@H](C[NH3+])C2)s1 ZINC000420289197 563262106 /nfs/dbraw/zinc/26/21/06/563262106.db2.gz UBKCLJZMKISUGO-LBPRGKRZSA-N 1 0 383.315 2.830 20 0 GFADRO [NH3+]C[C@@H](NCCS(=O)(=O)c1cccc(Br)c1)C1CCCCC1 ZINC000420381700 563262848 /nfs/dbraw/zinc/26/28/48/563262848.db2.gz ZEOBWUUFKGKBNT-MRXNPFEDSA-N 1 0 389.359 2.720 20 0 GFADRO C[C@H](C[NH2+]C[C@H](O)CS(=O)(=O)c1cccs1)c1cc(F)cc(F)c1 ZINC000295808261 563263271 /nfs/dbraw/zinc/26/32/71/563263271.db2.gz TXUFEKKCRIAUMW-ABAIWWIYSA-N 1 0 375.462 2.554 20 0 GFADRO CC1(C)C[NH2+]CC[C@H]1NS(=O)(=O)c1cccc(Br)c1Cl ZINC000420454317 563263902 /nfs/dbraw/zinc/26/39/02/563263902.db2.gz FBLNRFWJDRFYHP-LLVKDONJSA-N 1 0 381.723 2.769 20 0 GFADRO O=S(=O)(c1cccc(Br)c1F)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420466819 563264393 /nfs/dbraw/zinc/26/43/93/563264393.db2.gz RODRYGMUXIKRQO-WCQYABFASA-N 1 0 391.306 2.741 20 0 GFADRO Cc1cc(C[NH2+]C[C@H]2CCC[C@@]23NC(=O)N(C)C3=O)ccc1Br ZINC000371085975 563264445 /nfs/dbraw/zinc/26/44/45/563264445.db2.gz JUHNGWCMGSKTGZ-CXAGYDPISA-N 1 0 380.286 2.568 20 0 GFADRO C[NH2+]CCCN(C)S(=O)(=O)c1cc(Br)c(Cl)cc1Cl ZINC000420472111 563265111 /nfs/dbraw/zinc/26/51/11/563265111.db2.gz RJXRNWPJJYBJPH-UHFFFAOYSA-N 1 0 390.130 2.986 20 0 GFADRO Cc1cc(Br)cc(S(=O)(=O)N2C[C@H]([NH3+])Cc3ccccc32)c1 ZINC000420474390 563265886 /nfs/dbraw/zinc/26/58/86/563265886.db2.gz JSLLLYHREHTOEB-CQSZACIVSA-N 1 0 381.295 2.836 20 0 GFADRO C[C@@H]1CCN(S(=O)(=O)c2ccc(Br)c(Cl)c2)C[C@H]1C[NH3+] ZINC000420479695 563265947 /nfs/dbraw/zinc/26/59/47/563265947.db2.gz NLFZXXIJIKYZMP-NXEZZACHSA-N 1 0 381.723 2.708 20 0 GFADRO C[C@H]1C[N@H+](CCCNC(=O)Cc2cc(Br)ccc2F)CCCO1 ZINC000278687938 563267002 /nfs/dbraw/zinc/26/70/02/563267002.db2.gz UQJLSPRMAVEGAC-ZDUSSCGKSA-N 1 0 387.293 2.748 20 0 GFADRO C[C@H](NC(=O)Cc1cc[nH]c(=O)c1Br)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000278729192 563268572 /nfs/dbraw/zinc/26/85/72/563268572.db2.gz RUJXZNDSQCKKGU-JSGCOSHPSA-N 1 0 396.329 2.861 20 0 GFADRO C[C@@H](C[N@H+]1C[C@@H](c2cnn(C)c2)[C@H](CO)C1)c1cccc(Br)c1 ZINC000278755690 563269195 /nfs/dbraw/zinc/26/91/95/563269195.db2.gz SMVPEENXUTXIQY-OWQGQXMQSA-N 1 0 378.314 2.994 20 0 GFADRO C[C@@H]1C[C@@H](N(C)C(=O)c2ccc(I)cc2F)CC[N@@H+]1C ZINC000295958723 563269806 /nfs/dbraw/zinc/26/98/06/563269806.db2.gz UYWTWRZZFHOQIU-PWSUYJOCSA-N 1 0 390.240 2.985 20 0 GFADRO O=C(NC[C@@H]1CCC[C@H]1[NH+]1CCOCC1)[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000371268367 563269999 /nfs/dbraw/zinc/26/99/99/563269999.db2.gz JNXIUGXWAPAKJH-VUCTXSBTSA-N 1 0 387.307 2.644 20 0 GFADRO C[C@H](CNS(=O)(=O)c1cc(Cl)ccc1OC(F)F)C[NH+]1CCCC1 ZINC000420656831 563270015 /nfs/dbraw/zinc/27/00/15/563270015.db2.gz FFMYVFPIWSLIFF-LLVKDONJSA-N 1 0 382.860 2.952 20 0 GFADRO O=C1C[C@H]([C@H]2CCCC[N@H+]2Cc2cc3c(cc2Br)OCCO3)CN1 ZINC000371307507 563271258 /nfs/dbraw/zinc/27/12/58/563271258.db2.gz FUDAPDAVMMIJDC-SWLSCSKDSA-N 1 0 395.297 2.711 20 0 GFADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)COc1cccc(Br)c1 ZINC000278828726 563272193 /nfs/dbraw/zinc/27/21/93/563272193.db2.gz JLSZKBOYWHHXRX-AWEZNQCLSA-N 1 0 397.313 2.540 20 0 GFADRO Cc1nc(NC(=O)N2CC[N@H+](C3CCOCC3)C[C@@H]2C)ccc1Br ZINC000278867825 563274566 /nfs/dbraw/zinc/27/45/66/563274566.db2.gz NWFFMUFYSSZYNW-LBPRGKRZSA-N 1 0 397.317 2.870 20 0 GFADRO C[C@H]([NH2+]C[C@@H]1CCC[C@@]12NC(=O)N(C)C2=O)c1ccc(F)c(Br)c1 ZINC000371481152 563278359 /nfs/dbraw/zinc/27/83/59/563278359.db2.gz UFIDOCWLJPOPSD-QAGHZCBJSA-N 1 0 398.276 2.959 20 0 GFADRO C[C@H]([NH2+]C[C@H]1CCC[C@@]12NC(=O)N(C)C2=O)c1ccc(F)cc1Br ZINC000371479521 563278576 /nfs/dbraw/zinc/27/85/76/563278576.db2.gz HOTBHELHOXXPSA-WVQJBOLRSA-N 1 0 398.276 2.959 20 0 GFADRO COc1cc(C(F)(F)F)cc(S(=O)(=O)NC2CCC([NH+](C)C)CC2)c1 ZINC000420719176 563278982 /nfs/dbraw/zinc/27/89/82/563278982.db2.gz AAIVNIBWLASYFI-UHFFFAOYSA-N 1 0 380.432 2.865 20 0 GFADRO COC[C@H]([NH2+]CC(=O)Nc1ccc(OC(F)F)c(Cl)c1)[C@@H]1CCCO1 ZINC000279032815 563280791 /nfs/dbraw/zinc/28/07/91/563280791.db2.gz ICVBAZWKYAXKKQ-JSGCOSHPSA-N 1 0 378.803 2.664 20 0 GFADRO CC[C@H]([NH2+][C@@H](C)c1ccc(S(=O)(=O)C(F)F)c(OC)c1)[C@H](O)C(F)F ZINC000296284012 563282244 /nfs/dbraw/zinc/28/22/44/563282244.db2.gz FDEUICZZFOLJNA-FWDPORAESA-N 1 0 387.395 2.747 20 0 GFADRO CCc1cc(N2CCC[C@H]([NH2+]Cc3c(Br)c(C)nn3C)C2)ncn1 ZINC000279073867 563282652 /nfs/dbraw/zinc/28/26/52/563282652.db2.gz GIQNERGIEYEZBF-AWEZNQCLSA-N 1 0 393.333 2.602 20 0 GFADRO O=C(NCC1CC[NH+](C2CC2)CC1)c1cc(Br)c2c(c1)OCCO2 ZINC000279122811 563284981 /nfs/dbraw/zinc/28/49/81/563284981.db2.gz VXRMTTGKUAYTPY-UHFFFAOYSA-N 1 0 395.297 2.825 20 0 GFADRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)NCc1cc(F)c(F)cc1Br ZINC000420866992 563288616 /nfs/dbraw/zinc/28/86/16/563288616.db2.gz QEWUQWRRHABDLL-NSHDSACASA-N 1 0 376.245 2.963 20 0 GFADRO COC1([C@@H](C)[NH2+]CC(=O)NCCc2cccc(Cl)c2Cl)CCOCC1 ZINC000421038642 563294102 /nfs/dbraw/zinc/29/41/02/563294102.db2.gz TWXNHNDGPCFJEL-CYBMUJFWSA-N 1 0 389.323 2.826 20 0 GFADRO COC1([C@H](C)[NH2+]CC(=O)Nc2ccc(Br)c(C)c2)CCOCC1 ZINC000421042318 563294209 /nfs/dbraw/zinc/29/42/09/563294209.db2.gz ZGOLYJNNCUCDGD-ZDUSSCGKSA-N 1 0 385.302 2.870 20 0 GFADRO Cc1c(Br)ccc(NC(=O)C(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)c1F ZINC000279373639 563294207 /nfs/dbraw/zinc/29/42/07/563294207.db2.gz IEJZUMJJEHUMIL-NSHDSACASA-N 1 0 398.276 2.602 20 0 GFADRO CC[C@@H]([NH2+][C@H]1CCN(CCN2CCOCC2)C1)c1cccc(Br)c1 ZINC000372047470 563294480 /nfs/dbraw/zinc/29/44/80/563294480.db2.gz ROKCZGKHEOIDSM-RBUKOAKNSA-N 1 0 396.373 2.896 20 0 GFADRO Clc1ccc(Cc2nnc(NC3CC[NH+]([C@@H]4CCOC4)CC3)s2)cc1 ZINC000372260331 563300416 /nfs/dbraw/zinc/30/04/16/563300416.db2.gz HVXURRHPDWWQGN-MRXNPFEDSA-N 1 0 378.929 3.448 20 0 GFADRO CO[C@H](CC(C)C)CS(=O)(=O)Nc1ccc(OCC[NH+](C)C)cc1F ZINC000421230690 563301737 /nfs/dbraw/zinc/30/17/37/563301737.db2.gz IDTJSDVLFVEMTK-OAHLLOKOSA-N 1 0 376.494 2.569 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N(C)C[C@@H]2CCC[N@@H+]2C)c(Br)c1 ZINC000421293518 563305774 /nfs/dbraw/zinc/30/57/74/563305774.db2.gz DOFAFQQOTKFKKO-ZDUSSCGKSA-N 1 0 382.302 2.557 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N(C)C[C@@H]2CCC[N@@H+]2C)cc1Br ZINC000421299731 563306013 /nfs/dbraw/zinc/30/60/13/563306013.db2.gz NYWKDCQDTKRLBU-ZDUSSCGKSA-N 1 0 382.302 2.557 20 0 GFADRO Cc1c(C(=O)N[C@H]2CCC[NH2+]CC2)cnn1-c1cccc(Br)c1 ZINC000372446926 563307143 /nfs/dbraw/zinc/30/71/43/563307143.db2.gz QCKHZNMHNAACLD-AWEZNQCLSA-N 1 0 377.286 2.815 20 0 GFADRO CS[C@@H]1CN(C(=O)N[C@H](c2nc(C)cs2)C(F)(F)F)C[C@H]1[NH+](C)C ZINC000296928629 563309101 /nfs/dbraw/zinc/30/91/01/563309101.db2.gz ISLBXCJEFTZERF-GMTAPVOTSA-N 1 0 382.477 2.742 20 0 GFADRO CN(Cc1nc(C(F)(F)F)cs1)C(=O)[C@]1([NH3+])[C@H]2CCCO[C@H]2C1(C)C ZINC000372576760 563311044 /nfs/dbraw/zinc/31/10/44/563311044.db2.gz MBDMLYRIWARLDH-TURKWSHLSA-N 1 0 377.432 2.653 20 0 GFADRO O=C(Nc1ccsc1Cl)C(=O)NC1CCN(Cc2cscn2)CC1 ZINC000372594107 563311590 /nfs/dbraw/zinc/31/15/90/563311590.db2.gz MUPDNAZWGCKJPK-UHFFFAOYSA-N 1 0 384.914 2.577 20 0 GFADRO O=C(CCc1cc(Cl)ccc1Br)NCC[NH+]1CCC(O)CC1 ZINC000296986074 563311682 /nfs/dbraw/zinc/31/16/82/563311682.db2.gz PNBZYSITCHVTAI-UHFFFAOYSA-N 1 0 389.721 2.608 20 0 GFADRO CC(=O)N1CCC[C@@H](C[NH2+]Cc2cnc3c(C)cc(Br)cn23)C1 ZINC000279826544 563311706 /nfs/dbraw/zinc/31/17/06/563311706.db2.gz PWLULOASIDNEKM-AWEZNQCLSA-N 1 0 379.302 2.753 20 0 GFADRO Cc1ccc(NC(=O)C(=O)N2CCCC23CC[NH+](C)CC3)c(Br)c1 ZINC000372672095 563313412 /nfs/dbraw/zinc/31/34/12/563313412.db2.gz XCIBJHOSJQMADL-UHFFFAOYSA-N 1 0 394.313 2.783 20 0 GFADRO [NH3+]CCc1nc(C(=O)N[C@@H]2CCOc3ccc(Br)cc32)cs1 ZINC000279876824 563313938 /nfs/dbraw/zinc/31/39/38/563313938.db2.gz FHVCFFHMRPUKIW-LLVKDONJSA-N 1 0 382.283 2.660 20 0 GFADRO CCS(=O)(=O)N(C)CCC[NH2+]C1CCC(O)(c2cccc(Cl)c2)CC1 ZINC000372798745 563318201 /nfs/dbraw/zinc/31/82/01/563318201.db2.gz FZFJXGWISBMVCO-UHFFFAOYSA-N 1 0 388.961 2.731 20 0 GFADRO CC[N@H+](CCN[C@@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl)C1CC1 ZINC000279999698 563318330 /nfs/dbraw/zinc/31/83/30/563318330.db2.gz FVROAPKSSLZMKO-JTQLQIEISA-N 1 0 380.341 2.776 20 0 GFADRO [NH3+][C@@H]1CN(C(=O)c2ccc(Br)cn2)CC[C@H]1c1ccc(F)cc1 ZINC000297202339 563319223 /nfs/dbraw/zinc/31/92/23/563319223.db2.gz MUENUEFLRIHLAV-LSDHHAIUSA-N 1 0 378.245 2.940 20 0 GFADRO Cc1csc(C(=O)N(C)C[C@@H]2CCC[N@@H+]2C)c1I ZINC000421710675 563319897 /nfs/dbraw/zinc/31/98/97/563319897.db2.gz LUZXRAZVYZWUAO-JTQLQIEISA-N 1 0 378.279 2.827 20 0 GFADRO C[C@H](N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000280046083 563320426 /nfs/dbraw/zinc/32/04/26/563320426.db2.gz JGKSYIDRJVRUEG-COLVAYQJSA-N 1 0 392.352 2.918 20 0 GFADRO Cn1cc(Br)cc1C(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H]([NH3+])C1 ZINC000297272761 563321500 /nfs/dbraw/zinc/32/15/00/563321500.db2.gz SQRLPLMKYSVWEB-CABCVRRESA-N 1 0 380.261 2.884 20 0 GFADRO CC(C)C[NH+]1CCC(NC(=O)Nc2nc3cc(Br)ccn3n2)CC1 ZINC000297289066 563322459 /nfs/dbraw/zinc/32/24/59/563322459.db2.gz GWTWQAKHGYRZLU-UHFFFAOYSA-N 1 0 395.305 2.734 20 0 GFADRO Cc1c(C(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)cnn1-c1ccc(Br)cc1 ZINC000372956781 563323362 /nfs/dbraw/zinc/32/33/62/563323362.db2.gz MPVBPXSRQYAQEG-GUYCJALGSA-N 1 0 389.297 2.767 20 0 GFADRO Cc1c(Br)cc(C(=O)N2CCN(C)Cc3ccccc32)c(=O)n1C ZINC000373010734 563325562 /nfs/dbraw/zinc/32/55/62/563325562.db2.gz TUSJDTQQXJWXRL-UHFFFAOYSA-N 1 0 390.281 2.548 20 0 GFADRO [NH3+]C[C@@H]1CCCN(C(=O)CCc2nc(-c3cc(Br)cs3)no2)C1 ZINC000297430622 563326068 /nfs/dbraw/zinc/32/60/68/563326068.db2.gz SVSNCYWYQDVLMT-JTQLQIEISA-N 1 0 399.314 2.691 20 0 GFADRO Cn1nc(Br)cc1C(=O)N1C[C@@H]2[C@H](c3ccccc3)[N@@H+](C)C[C@@H]2C1 ZINC000373038851 563326926 /nfs/dbraw/zinc/32/69/26/563326926.db2.gz XEJKEGVEKSSWKR-KEYYUXOJSA-N 1 0 389.297 2.558 20 0 GFADRO CCOCC[C@@H](O)C[NH+]1CCC(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000373084565 563328738 /nfs/dbraw/zinc/32/87/38/563328738.db2.gz SKDKOZAGABDQBU-QGZVFWFLSA-N 1 0 399.329 2.887 20 0 GFADRO COC[C@H](C)OC[C@@H](O)C[N@H+](C)[C@@H]1CCOc2ccc(Br)cc21 ZINC000373174432 563331151 /nfs/dbraw/zinc/33/11/51/563331151.db2.gz VYRUPZXAXPUMND-DUVNUKRYSA-N 1 0 388.302 2.617 20 0 GFADRO O=C(Cc1cc[nH]c(=O)c1Br)N1CCC([NH2+]C2CCCC2)CC1 ZINC000373187631 563331168 /nfs/dbraw/zinc/33/11/68/563331168.db2.gz NUMAONAFUDKKSH-UHFFFAOYSA-N 1 0 382.302 2.615 20 0 GFADRO CCN(CC)S(=O)(=O)c1ccc(CC[NH2+][C@H]2C[C@H](C)n3ccnc32)s1 ZINC000297631672 563332059 /nfs/dbraw/zinc/33/20/59/563332059.db2.gz JHNMLXIRGSUARD-ZFWWWQNUSA-N 1 0 382.555 2.813 20 0 GFADRO COc1ccc(Br)cc1CNc1ccn(C2CC[NH+](C)CC2)n1 ZINC000373264622 563333444 /nfs/dbraw/zinc/33/34/44/563333444.db2.gz QIEDEXUFZIGLCL-UHFFFAOYSA-N 1 0 379.302 3.533 20 0 GFADRO C[C@H]([NH2+]C[C@H](O)c1ccc(S(C)(=O)=O)cc1)c1ccc(Br)cn1 ZINC000280375486 563334224 /nfs/dbraw/zinc/33/42/24/563334224.db2.gz KTLPXHAPLCZMCN-ZBEGNZNMSA-N 1 0 399.310 2.632 20 0 GFADRO OC[C@H](C[NH2+]C1CCN(Cc2ccccc2Br)CC1)[C@@H]1CCOC1 ZINC000280382856 563334447 /nfs/dbraw/zinc/33/44/47/563334447.db2.gz VZAXQWGUPPFLIJ-SJORKVTESA-N 1 0 397.357 2.648 20 0 GFADRO Cc1nccc(CN2CCC[C@H]([NH2+]Cc3csc(Br)c3)C2=O)n1 ZINC000373369646 563336123 /nfs/dbraw/zinc/33/61/23/563336123.db2.gz MNAGKEMMXPCOPJ-AWEZNQCLSA-N 1 0 395.326 2.890 20 0 GFADRO Cc1ccc(NC(=O)N[C@H](c2nccn2C)C(C)(C)CO)c(Br)n1 ZINC000297833293 563336834 /nfs/dbraw/zinc/33/68/34/563336834.db2.gz ZVTKNYGZDIITKT-GFCCVEGCSA-N 1 0 396.289 2.767 20 0 GFADRO Cc1cc(Br)ccc1C(=O)N1CCC([NH2+][C@@H](C)[C@@H](C)CO)CC1 ZINC000373386912 563336861 /nfs/dbraw/zinc/33/68/61/563336861.db2.gz YSIFVSPLDCJXFF-KBPBESRZSA-N 1 0 383.330 2.969 20 0 GFADRO CSc1ccc([C@@H](CNC(=O)NCCc2nnc(C)s2)[NH+](C)C)cc1 ZINC000297899001 563339715 /nfs/dbraw/zinc/33/97/15/563339715.db2.gz HUNXUPAZXIIIEF-OAHLLOKOSA-N 1 0 379.555 2.713 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCc2n[nH]cc2C1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000373564981 563342346 /nfs/dbraw/zinc/34/23/46/563342346.db2.gz WZSVYXNNUJAQPP-WCBMZHEXSA-N 1 0 389.308 2.572 20 0 GFADRO C[C@@H]1C[C@@H](C)N(CC(=O)N(C)Cc2cc(Br)cs2)C[C@@H]1C[NH3+] ZINC000422639399 563345349 /nfs/dbraw/zinc/34/53/49/563345349.db2.gz SRCBWCHNRAZGPF-UPJWGTAASA-N 1 0 388.375 2.774 20 0 GFADRO O=C1NC[C@@]2(CCCN(Cc3cc4c(cc3Br)OCCCO4)C2)O1 ZINC000373674743 563346518 /nfs/dbraw/zinc/34/65/18/563346518.db2.gz QIUHTGKYLBKVGD-QGZVFWFLSA-N 1 0 397.269 2.685 20 0 GFADRO C[C@H](NCC(C)(C)S(=O)(=O)c1ccc(Br)cc1)[C@H]1CCC[NH2+]1 ZINC000422759584 563349119 /nfs/dbraw/zinc/34/91/19/563349119.db2.gz LBSDRWGICUCENT-SWLSCSKDSA-N 1 0 389.359 2.732 20 0 GFADRO CC1=C(Br)CN(C(=O)NC[C@@H]2CCC[C@@H]2[NH+]2CCOCC2)CC1 ZINC000373771335 563350206 /nfs/dbraw/zinc/35/02/06/563350206.db2.gz MFMAQYLJBONQAQ-HOCLYGCPSA-N 1 0 386.334 2.572 20 0 GFADRO C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](CO)c1ccc(Br)cc1C(F)(F)F ZINC000280708786 563350495 /nfs/dbraw/zinc/35/04/95/563350495.db2.gz XTZZWOVPQRWMHO-QWHCGFSZSA-N 1 0 395.219 2.712 20 0 GFADRO C[C@H](C[C@H]1COCCN1)[NH2+]C[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000422933089 563350900 /nfs/dbraw/zinc/35/09/00/563350900.db2.gz BGBZVGWYDLWTGY-VYDXJSESSA-N 1 0 382.346 2.632 20 0 GFADRO FC(F)Oc1ccc(Br)cc1CN[C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000422944296 563351388 /nfs/dbraw/zinc/35/13/88/563351388.db2.gz LIIZCOFCJISMTM-GJZGRUSLSA-N 1 0 391.256 2.907 20 0 GFADRO C[C@H]1CN(Cc2nnc(-c3ccc(Br)o3)o2)C[C@]2(CCCOC2)O1 ZINC000373813338 563351830 /nfs/dbraw/zinc/35/18/30/563351830.db2.gz SWLRBDLCDJFAKS-ZBEGNZNMSA-N 1 0 398.257 2.862 20 0 GFADRO CC(C)[C@@H](C(=O)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1)[C@H](C)[NH3+] ZINC000422962887 563352680 /nfs/dbraw/zinc/35/26/80/563352680.db2.gz GZDBGPYVRKTLKP-BLLLJJGKSA-N 1 0 386.323 2.897 20 0 GFADRO CCS(=O)(=O)c1ccc(CNC(=O)NC2CC[NH+](C(C)(C)C)CC2)s1 ZINC000280774988 563353370 /nfs/dbraw/zinc/35/33/70/563353370.db2.gz JVJYDAZENRFXQY-UHFFFAOYSA-N 1 0 387.571 2.604 20 0 GFADRO O=S(=O)(c1c(Cl)cc(F)cc1Br)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000373886480 563353959 /nfs/dbraw/zinc/35/39/59/563353959.db2.gz SYSNQPXOFZZUEC-UFBFGSQYSA-N 1 0 397.697 2.614 20 0 GFADRO CCS(=O)(=O)CC[NH2+]C1(c2cccc(OC(F)(F)F)c2)CCOCC1 ZINC000298459311 563356005 /nfs/dbraw/zinc/35/60/05/563356005.db2.gz HZIIJLCOZBGYLF-UHFFFAOYSA-N 1 0 381.416 2.615 20 0 GFADRO COc1cc(CNC(=O)[C@H]2[NH2+]CCCC2(C)C)cc(Br)c1OC ZINC000423127059 563356322 /nfs/dbraw/zinc/35/63/22/563356322.db2.gz SSRHXOWWWBVSHW-OAHLLOKOSA-N 1 0 385.302 2.861 20 0 GFADRO C[C@H](NC(=O)NC[C@]1([NH+](C)C)CCSC1)c1ccc(Br)cn1 ZINC000280846697 563357444 /nfs/dbraw/zinc/35/74/44/563357444.db2.gz LAZOPYUWWLZNQP-XHDPSFHLSA-N 1 0 387.347 2.642 20 0 GFADRO CC(C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)N1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000423163343 563357797 /nfs/dbraw/zinc/35/77/97/563357797.db2.gz MRHWHRVYMBYEAE-LRDDRELGSA-N 1 0 386.323 2.926 20 0 GFADRO C[NH2+][C@H]1CCCN(C(=O)C(=O)N(Cc2ccc(Cl)c(Cl)c2)C(C)C)C1 ZINC000423157887 563357921 /nfs/dbraw/zinc/35/79/21/563357921.db2.gz BVFPKAUHNDZENF-AWEZNQCLSA-N 1 0 386.323 2.941 20 0 GFADRO Cc1ccccc1CNC(=O)C[NH+]1CCC(n2cc(Br)cn2)CC1 ZINC000374009748 563358324 /nfs/dbraw/zinc/35/83/24/563358324.db2.gz FVCHUGDRJHOTGU-UHFFFAOYSA-N 1 0 391.313 2.907 20 0 GFADRO O=C(c1cc(Br)c2c(c1)OCCO2)N1CCC([NH+]2CCCC2)CC1 ZINC000374001676 563358409 /nfs/dbraw/zinc/35/84/09/563358409.db2.gz MHGNHNKDTHGNQK-UHFFFAOYSA-N 1 0 395.297 2.921 20 0 GFADRO COC[C@]1(C(=O)NC[C@H](C)Sc2ccc(Br)cc2)CC[NH2+]C1 ZINC000423177421 563358567 /nfs/dbraw/zinc/35/85/67/563358567.db2.gz DWWPECVEGJDWCY-LRDDRELGSA-N 1 0 387.343 2.672 20 0 GFADRO C[C@@H]([NH3+])c1ccc(C(=O)NC[C@H](O)COc2ccccc2Br)cc1 ZINC000423238729 563359403 /nfs/dbraw/zinc/35/94/03/563359403.db2.gz ATWNNYJBADRURO-DOMZBBRYSA-N 1 0 393.281 2.639 20 0 GFADRO CCn1ccnc1[C@@H](NCC(C)(C)[NH3+])c1ccc(I)cc1 ZINC000423286341 563359757 /nfs/dbraw/zinc/35/97/57/563359757.db2.gz GQGLDFHFERFOAV-AWEZNQCLSA-N 1 0 398.292 2.924 20 0 GFADRO CC[C@@H]([NH2+]CC[S@](=O)C(C)(C)C)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000280915068 563361029 /nfs/dbraw/zinc/36/10/29/563361029.db2.gz QRXHJNDTXYEOBD-FATZIPQQSA-N 1 0 394.990 2.836 20 0 GFADRO C[C@@H]1CN(C(=O)C(=O)N2CCc3cc(Cl)cc(Cl)c3[C@@H]2C)CC[C@H]1[NH3+] ZINC000423570767 563362188 /nfs/dbraw/zinc/36/21/88/563362188.db2.gz XCJHWFAHOMEPLR-JRPNMDOOSA-N 1 0 384.307 2.635 20 0 GFADRO COC[C@@]1(C(=O)N[C@@H]2CCCN(c3ccc(Cl)cc3Cl)C2)CC[NH2+]C1 ZINC000423822905 563363491 /nfs/dbraw/zinc/36/34/91/563363491.db2.gz JFCQFZLIGGNMSW-RDTXWAMCSA-N 1 0 386.323 2.705 20 0 GFADRO [NH2+]=C(NO)[C@H]1CCCCN1CC(=O)Nc1ccc(Br)cc1Cl ZINC000374172314 563363756 /nfs/dbraw/zinc/36/37/56/563363756.db2.gz HSLKHJPLGTUGEY-GFCCVEGCSA-N 1 0 389.681 2.852 20 0 GFADRO C[C@H]1CC[NH2+][C@@H](C(=O)NCc2nc(-c3cccc(Br)c3)no2)C1 ZINC000423927368 563364258 /nfs/dbraw/zinc/36/42/58/563364258.db2.gz INAYOGHHKDKGHK-GXFFZTMASA-N 1 0 379.258 2.503 20 0 GFADRO O=C(c1cccc(I)c1)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000423935676 563364267 /nfs/dbraw/zinc/36/42/67/563364267.db2.gz APLOWDUCWCGOPM-ZFWWWQNUSA-N 1 0 384.261 2.895 20 0 GFADRO C[C@H](O)C[N@@H+]1CCN(CC2=Cc3cc(Br)ccc3OC2)[C@H](C)C1 ZINC000281061482 563364962 /nfs/dbraw/zinc/36/49/62/563364962.db2.gz RWSUXBMEPXHHCP-KGLIPLIRSA-N 1 0 381.314 2.612 20 0 GFADRO Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@H]2[NH2+]CC2([S@@](C)=O)CCC2)cc1 ZINC000281078449 563365634 /nfs/dbraw/zinc/36/56/34/563365634.db2.gz OUXJDUUKXBJCEY-QZTZHPFYSA-N 1 0 383.579 2.971 20 0 GFADRO CN(C(=O)c1nn(-c2ccc(F)cc2)cc1Br)[C@@H](C[NH3+])C1CC1 ZINC000423965649 563365871 /nfs/dbraw/zinc/36/58/71/563365871.db2.gz YCUPHBDJQXNSIK-AWEZNQCLSA-N 1 0 381.249 2.583 20 0 GFADRO C[NH+](C)[C@H]1CCN(c2ccc(NC(=O)c3ncccc3Br)nc2)C1 ZINC000281092564 563366216 /nfs/dbraw/zinc/36/62/16/563366216.db2.gz FYVNLLOCHGHPLD-ZDUSSCGKSA-N 1 0 390.285 2.632 20 0 GFADRO Cn1nc(Br)cc1C(=O)NC[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000374281726 563366761 /nfs/dbraw/zinc/36/67/61/563366761.db2.gz ZCJWCIZZGINWGR-SFHVURJKSA-N 1 0 391.313 2.825 20 0 GFADRO CN(C[C@H](O)c1cccc(Br)c1)C(=O)NCCC1CC[NH+](C)CC1 ZINC000298792704 563366879 /nfs/dbraw/zinc/36/68/79/563366879.db2.gz DZAYNRJFXWOXEY-KRWDZBQOSA-N 1 0 398.345 2.856 20 0 GFADRO [NH3+][C@@H]1CN(C(=O)COc2ccc(Br)cc2)C[C@H]1c1cccc(F)c1 ZINC000424006392 563367070 /nfs/dbraw/zinc/36/70/70/563367070.db2.gz DKOUMHKNVBLHDH-DLBZAZTESA-N 1 0 393.256 2.920 20 0 GFADRO Cc1nc(C(=O)N2CC[C@H](C)[C@@H](C[NH3+])C2)nn1-c1c(Cl)cccc1Cl ZINC000424016602 563367156 /nfs/dbraw/zinc/36/71/56/563367156.db2.gz OAUVXEKOTOUQGG-JQWIXIFHSA-N 1 0 382.295 2.939 20 0 GFADRO C[C@@H]1CCN(C(=O)COc2ccc(Br)cc2Cl)C[C@H]1C[NH3+] ZINC000424019723 563367617 /nfs/dbraw/zinc/36/76/17/563367617.db2.gz RVJKTZZUCKZEKX-GHMZBOCLSA-N 1 0 375.694 2.925 20 0 GFADRO C[C@@H]1C[C@H](C)N(C(=O)C[C@@H]2Sc3ccc(Cl)cc3NC2=O)C[C@H]1C[NH3+] ZINC000424058014 563368536 /nfs/dbraw/zinc/36/85/36/563368536.db2.gz UKQUFHUDJIPOMC-JBBSTSQOSA-N 1 0 381.929 2.975 20 0 GFADRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2ccc(Cl)nc2Cl)C[C@H]1c1ccccc1 ZINC000374357021 563369721 /nfs/dbraw/zinc/36/97/21/563369721.db2.gz WZAUGKNUFIZQGB-OLZOCXBDSA-N 1 0 386.304 2.751 20 0 GFADRO CCOc1cc(C[NH2+][C@@H]2CC23CC3)cc(Br)c1OCC(=O)N(C)C ZINC000424186660 563372288 /nfs/dbraw/zinc/37/22/88/563372288.db2.gz SKJYWCUKOYHMIN-OAHLLOKOSA-N 1 0 397.313 2.957 20 0 GFADRO C[C@H]([NH2+]C[C@@H]1CCn2ncc(C(N)=O)c2C1)c1cc(Br)ccc1F ZINC000281289949 563372833 /nfs/dbraw/zinc/37/28/33/563372833.db2.gz XYTFPGMVQNXHFL-WDEREUQCSA-N 1 0 395.276 2.797 20 0 GFADRO O=C(NC1CC[NH+](CC2CC2)CC1)C1(c2cncc(Br)c2)CC1 ZINC000281417084 563376524 /nfs/dbraw/zinc/37/65/24/563376524.db2.gz ZQFUQCVYMWCZHS-UHFFFAOYSA-N 1 0 378.314 2.866 20 0 GFADRO C[C@@H]1CC2(CN1S(=O)(=O)Cc1ccccc1C(F)(F)F)CC[NH2+]CC2 ZINC000424392276 563378115 /nfs/dbraw/zinc/37/81/15/563378115.db2.gz OVGQYEJHLSETLA-CYBMUJFWSA-N 1 0 376.444 2.999 20 0 GFADRO Cc1oc(Br)cc1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cn1 ZINC000424607903 563383411 /nfs/dbraw/zinc/38/34/11/563383411.db2.gz SBOJWJKDTHUPHN-UHFFFAOYSA-N 1 0 379.258 2.750 20 0 GFADRO OC[C@]1([NH2+]C[C@H](O)c2ccccc2Br)CCOc2ccccc21 ZINC000281707190 563384597 /nfs/dbraw/zinc/38/45/97/563384597.db2.gz OGKJETOZLPJHFU-FUHWJXTLSA-N 1 0 378.266 2.742 20 0 GFADRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)Cc1noc2ccc(Br)cc21 ZINC000424669459 563386089 /nfs/dbraw/zinc/38/60/89/563386089.db2.gz SMDFMSHLXXXGRW-GFCCVEGCSA-N 1 0 380.286 2.933 20 0 GFADRO Cc1sc(C(=O)NC[C@@H](C(C)C)N2CC[NH+](C)CC2)cc1Br ZINC000424659785 563386188 /nfs/dbraw/zinc/38/61/88/563386188.db2.gz SPJJVPAJDPNUKY-AWEZNQCLSA-N 1 0 388.375 2.821 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(F)ccc1I ZINC000299599789 563386923 /nfs/dbraw/zinc/38/69/23/563386923.db2.gz GXBBESJTLBHIDN-NSHDSACASA-N 1 0 376.213 2.644 20 0 GFADRO CCO[C@H](CC[NH+](C)C)CNC(=O)Cc1noc2ccc(Br)cc12 ZINC000424722878 563388402 /nfs/dbraw/zinc/38/84/02/563388402.db2.gz YOKRQJQFLFRQNQ-CYBMUJFWSA-N 1 0 398.301 2.606 20 0 GFADRO Cc1sc2ncnc(SCC(=O)N3CC[C@@H]4CC[N@@H+](C)[C@@H]4C3)c2c1C ZINC000375062088 563388973 /nfs/dbraw/zinc/38/89/73/563388973.db2.gz SEIJNVJXANZMJM-UONOGXRCSA-N 1 0 376.551 2.953 20 0 GFADRO C[S@@](=O)C1(CNC(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)CCC1 ZINC000281947456 563391195 /nfs/dbraw/zinc/39/11/95/563391195.db2.gz XTEAQOCYSPAHTR-SGANQWHYSA-N 1 0 383.583 2.561 20 0 GFADRO COC(=O)c1ccc(C[NH2+][C@@H]2CCC(=O)NC23CCC3)c(Br)c1 ZINC000375266387 563397669 /nfs/dbraw/zinc/39/76/69/563397669.db2.gz FNPLWOKNZCJKSX-CQSZACIVSA-N 1 0 381.270 2.527 20 0 GFADRO O=C(NC1CC[NH+](CC2CC2)CC1)c1cc(Br)cc2[nH]cnc21 ZINC000282177275 563400393 /nfs/dbraw/zinc/40/03/93/563400393.db2.gz VOIAFDLAXBYORD-UHFFFAOYSA-N 1 0 377.286 2.930 20 0 GFADRO COCC(C)(C)[NH+]1CCN(C(=O)Cc2csc(-c3cccs3)n2)CC1 ZINC000424996649 563400577 /nfs/dbraw/zinc/40/05/77/563400577.db2.gz DVCXVLGRKIFELC-UHFFFAOYSA-N 1 0 379.551 2.983 20 0 GFADRO Cc1nc(CO[C@H]2CCN([C@@H](C)C(=O)NCCc3cccs3)C2)cs1 ZINC000375392587 563402863 /nfs/dbraw/zinc/40/28/63/563402863.db2.gz LPTACHMHOZQTRM-BBRMVZONSA-N 1 0 379.551 2.851 20 0 GFADRO C[N@@H+]1C[C@@H]2CCCN(C(=O)c3c(F)cccc3I)[C@@H]2C1 ZINC000425057919 563402920 /nfs/dbraw/zinc/40/29/20/563402920.db2.gz NPWHITVKWABODU-GXFFZTMASA-N 1 0 388.224 2.597 20 0 GFADRO CCOCCOc1ccc(Br)cc1C[NH2+]CC1([S@@](C)=O)CC1 ZINC000282238785 563402999 /nfs/dbraw/zinc/40/29/99/563402999.db2.gz FXWUQOOFMIXQHA-JOCHJYFZSA-N 1 0 390.343 2.865 20 0 GFADRO CCOc1cc(C[NH2+][C@@H](CO)CCOC)cc(Br)c1OC(F)F ZINC000282262308 563404285 /nfs/dbraw/zinc/40/42/85/563404285.db2.gz PHHYLHIQKARUMJ-LLVKDONJSA-N 1 0 398.244 2.936 20 0 GFADRO CC(C)[C@@H](CO)C(=O)Nc1cc(Br)ccc1N(C)CC[NH+](C)C ZINC000425099746 563404459 /nfs/dbraw/zinc/40/44/59/563404459.db2.gz RARGDXMTNUWLST-CQSZACIVSA-N 1 0 386.334 2.650 20 0 GFADRO CN(CC[NH+](C)C)c1ccc(Br)cc1NC(=O)[C@H]1CCC[C@@H](O)C1 ZINC000425098981 563404557 /nfs/dbraw/zinc/40/45/57/563404557.db2.gz NIWFDCIYUSSVGG-DZGCQCFKSA-N 1 0 398.345 2.937 20 0 GFADRO C[C@@H]([NH2+]CCS(=O)(=O)CCc1ccccc1)c1ccc([S@](C)=O)cc1 ZINC000282268182 563404649 /nfs/dbraw/zinc/40/46/49/563404649.db2.gz DDUSTSNGBAHMCU-GYCJOSAFSA-N 1 0 379.547 2.732 20 0 GFADRO Cc1nnsc1C(=O)Nc1cc(Br)ccc1N(C)CC[NH+](C)C ZINC000425100856 563404666 /nfs/dbraw/zinc/40/46/66/563404666.db2.gz WNOHXFWIXPMUCR-UHFFFAOYSA-N 1 0 398.330 2.859 20 0 GFADRO C[C@H](Cn1cc(Br)cn1)[NH2+][C@@H]1CCN(C(=O)Nc2ccccc2)C1 ZINC000282289413 563405304 /nfs/dbraw/zinc/40/53/04/563405304.db2.gz BVNBXQPBIQXEFW-CZUORRHYSA-N 1 0 392.301 2.930 20 0 GFADRO CCNC(=O)CN1CCC[C@@H]1c1nc(-c2cccc(Br)c2)no1 ZINC000375466888 563406650 /nfs/dbraw/zinc/40/66/50/563406650.db2.gz GWGSJUVIQXDPIS-CYBMUJFWSA-N 1 0 379.258 2.772 20 0 GFADRO COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@H](C)[N@@H+]2C[C@@H](O)c2ccc(Br)cc2)O1 ZINC000282419716 563410500 /nfs/dbraw/zinc/41/05/00/563410500.db2.gz JGIDSQFGQRYSPT-IYYOBANKSA-N 1 0 398.297 2.666 20 0 GFADRO C[NH+](C)C[C@H]1CCN(S(=O)(=O)c2c(Cl)cccc2Br)C1 ZINC000282425056 563410662 /nfs/dbraw/zinc/41/06/62/563410662.db2.gz BYLJQBAIPIAXKE-SNVBAGLBSA-N 1 0 381.723 2.675 20 0 GFADRO Cc1sc(Br)cc1S(=O)(=O)N1CCC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000425212992 563412103 /nfs/dbraw/zinc/41/21/03/563412103.db2.gz GLOAFRJIPLNZAF-WDEREUQCSA-N 1 0 379.345 2.534 20 0 GFADRO C[C@H]([NH2+][C@@H]1C[C@H]2OCCC[C@@H]12)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000375648964 563413329 /nfs/dbraw/zinc/41/33/29/563413329.db2.gz NTOWLTJEIXVICY-QYAIJTBZSA-N 1 0 379.309 2.859 20 0 GFADRO COc1cc2[nH+]ccc(NC[C@@H](C)c3nncn3C)c2cc1Br ZINC000425259394 563415830 /nfs/dbraw/zinc/41/58/30/563415830.db2.gz VJIXMHOTZAXMSR-SNVBAGLBSA-N 1 0 376.258 2.772 20 0 GFADRO COC(=O)c1sc(N2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)nc1Cl ZINC000301932416 563416131 /nfs/dbraw/zinc/41/61/31/563416131.db2.gz PEBMYLYKRPIWOZ-BETUJISGSA-N 1 0 386.949 2.578 20 0 GFADRO COCCCn1nccc1C[NH2+]C[C@H](O)COc1cccc(Cl)c1Cl ZINC000282584580 563416729 /nfs/dbraw/zinc/41/67/29/563416729.db2.gz GICVWGANTMOUDD-AWEZNQCLSA-N 1 0 388.295 2.756 20 0 GFADRO Nc1nc(-n2cccn2)cc(NCCc2ccc(F)c(Br)c2)[nH+]1 ZINC000301972623 563417516 /nfs/dbraw/zinc/41/75/16/563417516.db2.gz IKQKGAGBMSFHLO-UHFFFAOYSA-N 1 0 377.221 2.801 20 0 GFADRO COCC(C)(C)[NH+]1CCN(Cc2ccc(OC)c(O)c2Br)CC1 ZINC000425348986 563419034 /nfs/dbraw/zinc/41/90/34/563419034.db2.gz JZLYLJPFYWIFKQ-UHFFFAOYSA-N 1 0 387.318 2.706 20 0 GFADRO CS[C@@H]1CC[C@@H]1[NH2+]CC(=O)Nc1ccc(I)cc1 ZINC000425388678 563419707 /nfs/dbraw/zinc/41/97/07/563419707.db2.gz WMTNDUWREDDVRB-NWDGAFQWSA-N 1 0 376.263 2.713 20 0 GFADRO Nc1nc(-n2cccn2)cc(N2CCc3c(Br)ccc(F)c3C2)[nH+]1 ZINC000302110927 563420314 /nfs/dbraw/zinc/42/03/14/563420314.db2.gz AGZPFRWSLDTZGA-UHFFFAOYSA-N 1 0 389.232 2.709 20 0 GFADRO Cc1ncc([C@@H](C)[NH2+]C[C@H]2CCN(S(=O)(=O)c3cccs3)C2)c(C)n1 ZINC000375839263 563420384 /nfs/dbraw/zinc/42/03/84/563420384.db2.gz MARWXYDDEWYJGG-IUODEOHRSA-N 1 0 380.539 2.516 20 0 GFADRO COCC(C)(C)[NH+]1CCN(C(=O)NCc2ccccc2Br)CC1 ZINC000425432560 563422344 /nfs/dbraw/zinc/42/23/44/563422344.db2.gz KUDQHHWDINJQQE-UHFFFAOYSA-N 1 0 384.318 2.701 20 0 GFADRO CCCOc1c(Br)cc(C[N@H+](C)CCOCCO)cc1OC ZINC000282729432 563422885 /nfs/dbraw/zinc/42/28/85/563422885.db2.gz MFCZXBLWORTDNS-UHFFFAOYSA-N 1 0 376.291 2.687 20 0 GFADRO CC(C)(C(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1)c1ccccc1Br ZINC000282751571 563423491 /nfs/dbraw/zinc/42/34/91/563423491.db2.gz NPFMTVCCUFYNLD-HNNXBMFYSA-N 1 0 395.341 2.907 20 0 GFADRO CC(C)[C@@H]1CN(C)CC[N@@H+]1C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000425488978 563424416 /nfs/dbraw/zinc/42/44/16/563424416.db2.gz XQNHOORGPXEFPZ-RDJZCZTQSA-N 1 0 389.309 2.600 20 0 GFADRO COc1ccc([C@@H](C)[NH2+][C@@H]2CCN(c3ccn(C)n3)C2=O)cc1Br ZINC000375958330 563425044 /nfs/dbraw/zinc/42/50/44/563425044.db2.gz CAMJNCGYVLXFDL-BXUZGUMPSA-N 1 0 393.285 2.647 20 0 GFADRO C[C@@H](Cc1ccc(Br)cc1)[NH2+][C@@H]1CCN(c2ccn(C)n2)C1=O ZINC000375984304 563425781 /nfs/dbraw/zinc/42/57/81/563425781.db2.gz IKVBSDSLTNKSQU-SWLSCSKDSA-N 1 0 377.286 2.509 20 0 GFADRO COCC(C)(C)[NH+]1CCN(C[C@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000425517525 563426219 /nfs/dbraw/zinc/42/62/19/563426219.db2.gz UMOLVSFCMRZPOJ-AWEZNQCLSA-N 1 0 391.339 2.776 20 0 GFADRO CN1CCC2(CC[NH+](CCC(=O)Nc3ccccc3Br)CC2)C1=O ZINC000376044397 563427727 /nfs/dbraw/zinc/42/77/27/563427727.db2.gz BIOUTEDEKOLKDE-UHFFFAOYSA-N 1 0 394.313 2.722 20 0 GFADRO O=C1CCc2cc(Cl)c(S(=O)(=O)N3CCC[C@H]([C@@H]4CCC[NH2+]4)C3)cc21 ZINC000376123342 563430824 /nfs/dbraw/zinc/43/08/24/563430824.db2.gz RHTKAJNSYNZRJH-BBRMVZONSA-N 1 0 382.913 2.622 20 0 GFADRO Cc1cc(NC(=O)CN(C)[C@H]2CCOc3ccc(Br)cc32)no1 ZINC000376292698 563436796 /nfs/dbraw/zinc/43/67/96/563436796.db2.gz ZWYIWEKLRFWCNV-ZDUSSCGKSA-N 1 0 380.242 3.140 20 0 GFADRO OCCn1ncc2c1CCC[C@@H]2[NH2+]Cc1ccc(I)cc1 ZINC000313969525 563438345 /nfs/dbraw/zinc/43/83/45/563438345.db2.gz NLRUKIAZMMKIMF-HNNXBMFYSA-N 1 0 397.260 2.647 20 0 GFADRO Oc1cccc(C[NH2+]CCn2cc(Br)cn2)c1Br ZINC000315144449 563439947 /nfs/dbraw/zinc/43/99/47/563439947.db2.gz RMZYRYUKMXVFKB-UHFFFAOYSA-N 1 0 375.064 2.904 20 0 GFADRO CCOc1ccc(Br)cc1S(=O)(=O)N1CCC([C@@H](C)[NH3+])CC1 ZINC000316301336 563441673 /nfs/dbraw/zinc/44/16/73/563441673.db2.gz LTJRJUZZHFQJQB-LLVKDONJSA-N 1 0 391.331 2.596 20 0 GFADRO C[C@H](NC(=O)NC[C@]1([NH+](C)C)CCSC1)c1nc(C(F)(F)F)cs1 ZINC000426030533 563442254 /nfs/dbraw/zinc/44/22/54/563442254.db2.gz UNUGJUBXEIKGJN-TVQRCGJNSA-N 1 0 382.477 2.959 20 0 GFADRO O=S(=O)(c1ccc(Br)cc1F)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000317323554 563442342 /nfs/dbraw/zinc/44/23/42/563442342.db2.gz JOOSUSNZDXRTOW-BXUZGUMPSA-N 1 0 391.306 2.741 20 0 GFADRO C[N@@H+]1CCC[C@@H]2CN(S(=O)(=O)c3ccc(Br)c(F)c3)CC[C@H]21 ZINC000317841677 563443474 /nfs/dbraw/zinc/44/34/74/563443474.db2.gz RJQGZLHPZZQCOG-IAQYHMDHSA-N 1 0 391.306 2.693 20 0 GFADRO O=C([C@H]1CCC[N@@H+]1C1CC1)N1CCO[C@@H](c2cccc(Br)c2)C1 ZINC000426087496 563443564 /nfs/dbraw/zinc/44/35/64/563443564.db2.gz VZYNQHRKVAFSLD-IAGOWNOFSA-N 1 0 379.298 2.976 20 0 GFADRO CN(Cc1c(Br)cnn1C)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000426147375 563444684 /nfs/dbraw/zinc/44/46/84/563444684.db2.gz BBVHAKDMJRRNMC-YOEHRIQHSA-N 1 0 378.318 2.702 20 0 GFADRO CCCNC(=O)C1CCN(Cc2cc(Br)ccc2C(=O)OC)CC1 ZINC000283492474 563445910 /nfs/dbraw/zinc/44/59/10/563445910.db2.gz JUCGGKSACCEXSR-UHFFFAOYSA-N 1 0 397.313 2.974 20 0 GFADRO O[C@@H](C[NH2+]Cc1cccc2c1OCO2)COc1ccc(Br)cc1 ZINC000320384468 563446493 /nfs/dbraw/zinc/44/64/93/563446493.db2.gz RLTWZRDYBCGWRX-AWEZNQCLSA-N 1 0 380.238 2.707 20 0 GFADRO CCn1cc(Br)cc1C(=O)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000322146859 563449406 /nfs/dbraw/zinc/44/94/06/563449406.db2.gz XZDVARYGHDKPBP-OAHLLOKOSA-N 1 0 384.318 2.597 20 0 GFADRO CSCC[C@@H](C)N(C)C(=O)C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000283650519 563450597 /nfs/dbraw/zinc/45/05/97/563450597.db2.gz YYEYXZXBAKGFSA-CABCVRRESA-N 1 0 383.583 2.601 20 0 GFADRO CN(Cc1ccccc1Br)C(=O)CN1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000324230962 563452012 /nfs/dbraw/zinc/45/20/12/563452012.db2.gz VBUMYXQRRCFRKJ-SJLPKXTDSA-N 1 0 394.357 2.872 20 0 GFADRO O=S(=O)(NCCC[NH2+]Cc1cccnc1)c1ccc(Cl)c(F)c1Cl ZINC000326369711 563455045 /nfs/dbraw/zinc/45/50/45/563455045.db2.gz JHIDHCRREIMERY-UHFFFAOYSA-N 1 0 392.283 2.986 20 0 GFADRO O=S1(=O)CC[C@H]([NH2+]C[C@H]2CCN(CC(F)(F)F)C2)c2cc(F)ccc21 ZINC000326842206 563455976 /nfs/dbraw/zinc/45/59/76/563455976.db2.gz LXCMSTWKABMKFT-RISCZKNCSA-N 1 0 380.407 2.518 20 0 GFADRO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1cc(F)cc(Br)c1F ZINC000427076009 563459166 /nfs/dbraw/zinc/45/91/66/563459166.db2.gz ACUFWHBEPOALFD-VIFPVBQESA-N 1 0 392.244 2.512 20 0 GFADRO [NH3+]C[C@@H]1Cc2ccccc2N(S(=O)(=O)c2ccc(Br)s2)C1 ZINC000328507981 563460710 /nfs/dbraw/zinc/46/07/10/563460710.db2.gz ZDTTYQNFHRFNTR-JTQLQIEISA-N 1 0 387.324 2.837 20 0 GFADRO O=C(NCCCn1cc(Br)cn1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000377040359 563461338 /nfs/dbraw/zinc/46/13/38/563461338.db2.gz CCNQRTGIQLHGCH-UHFFFAOYSA-N 1 0 398.349 2.696 20 0 GFADRO CC[N@H+](CCNC(=O)[C@H]1CCCN(CC(F)(F)F)C1)CCC(F)(F)F ZINC000427230659 563462763 /nfs/dbraw/zinc/46/27/63/563462763.db2.gz QUEUONFYAPKVID-LBPRGKRZSA-N 1 0 377.373 2.651 20 0 GFADRO Cc1csc(-c2cccc(S(=O)(=O)N[C@H]3C[N@H+](C4CC4)C[C@@H]3C)c2)n1 ZINC000328676778 563463226 /nfs/dbraw/zinc/46/32/26/563463226.db2.gz RVZLGHFSBHGYQH-SJCJKPOMSA-N 1 0 377.535 2.880 20 0 GFADRO Cc1cc(C(=O)N[C@@H](C)CN2CC[NH+](C)CC2)cc(Cl)c1Br ZINC000284092572 563463721 /nfs/dbraw/zinc/46/37/21/563463721.db2.gz TUUNFPIXZWTMHZ-LBPRGKRZSA-N 1 0 388.737 2.777 20 0 GFADRO Cc1sc(=O)n(CC(=O)N2CCN(C)[C@@H](c3ccccc3Cl)C2)c1C ZINC000377131591 563463999 /nfs/dbraw/zinc/46/39/99/563463999.db2.gz RRSJCKPODSYYAI-MRXNPFEDSA-N 1 0 379.913 2.695 20 0 GFADRO Cn1nccc1[C@H]1[C@H]([NH2+]Cc2sccc2Br)CCC(=O)N1C ZINC000328896829 563467646 /nfs/dbraw/zinc/46/76/46/563467646.db2.gz CFYYUFHUUIDYQJ-IAQYHMDHSA-N 1 0 383.315 2.696 20 0 GFADRO C[N@@H+]1CC[C@H]2CCN(C(=O)c3ccc(Br)c4c3OCCC4)[C@H]2C1 ZINC000427454356 563468075 /nfs/dbraw/zinc/46/80/75/563468075.db2.gz YXQJPXJEXOEDER-LRDDRELGSA-N 1 0 379.298 2.940 20 0 GFADRO COc1ccc(Br)cc1C(=O)CCC(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000427623940 563470963 /nfs/dbraw/zinc/47/09/63/563470963.db2.gz YBYGPRBIDZWQBQ-RISCZKNCSA-N 1 0 383.286 2.535 20 0 GFADRO COC(=O)c1ccc(C[NH+]2CCC(Cn3cncn3)CC2)c(Br)c1 ZINC000284427013 563474557 /nfs/dbraw/zinc/47/45/57/563474557.db2.gz RRZQTTCYCZXNTO-UHFFFAOYSA-N 1 0 393.285 2.739 20 0 GFADRO CCn1cc(S(=O)(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)nc1C ZINC000329179912 563474811 /nfs/dbraw/zinc/47/48/11/563474811.db2.gz MWSWVRJOOQCGSE-YOEHRIQHSA-N 1 0 382.555 2.634 20 0 GFADRO CCOc1ccc(Br)cc1NC(=O)N1CC[C@@H]2OCCN(C)[C@H]2C1 ZINC000284476051 563476430 /nfs/dbraw/zinc/47/64/30/563476430.db2.gz AMVMZWOBZSEXDF-HOCLYGCPSA-N 1 0 398.301 2.785 20 0 GFADRO Cc1cc(Br)c(S(=O)(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)s1 ZINC000427809194 563476520 /nfs/dbraw/zinc/47/65/20/563476520.db2.gz YMDYGJSXGCCEFQ-WCQYABFASA-N 1 0 393.372 2.924 20 0 GFADRO Cc1ccc(C[C@@H](C)NC(=O)C(=O)NC[C@@H](c2cccs2)[NH+](C)C)s1 ZINC000284506592 563478131 /nfs/dbraw/zinc/47/81/31/563478131.db2.gz SMFVETQUDNAEQH-DOMZBBRYSA-N 1 0 379.551 2.584 20 0 GFADRO C[C@H]1[NH2+]CCC[C@H]1C(=O)NC[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000377551007 563478256 /nfs/dbraw/zinc/47/82/56/563478256.db2.gz UFJNNGHMGJELIH-CKEIUWERSA-N 1 0 380.330 2.780 20 0 GFADRO COc1ncc([C@H](C)[NH2+]C2CCN(S(=O)(=O)CC(C)C)CC2)cc1Cl ZINC000284513488 563478850 /nfs/dbraw/zinc/47/88/50/563478850.db2.gz WFTGDPHJUZRRGH-ZDUSSCGKSA-N 1 0 389.949 2.844 20 0 GFADRO CCCN(C1CC[NH2+]CC1)S(=O)(=O)c1cc(Cl)cc(C(=O)OCC)c1 ZINC000427956905 563478927 /nfs/dbraw/zinc/47/89/27/563478927.db2.gz IJGKOQRMADTMHE-UHFFFAOYSA-N 1 0 388.917 2.669 20 0 GFADRO CN(C(=O)c1cc(Br)ccc1F)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000377638464 563481255 /nfs/dbraw/zinc/48/12/55/563481255.db2.gz BXNWXHLHJDQXOD-OAHLLOKOSA-N 1 0 398.320 2.829 20 0 GFADRO O=C1NC[C@@H]2C[N@H+](Cc3ncc(-c4ccc(Br)cc4)o3)CC[C@H]12 ZINC000377668098 563482638 /nfs/dbraw/zinc/48/26/38/563482638.db2.gz KMDYOZLYFAFIDJ-OCCSQVGLSA-N 1 0 376.254 2.672 20 0 GFADRO Cc1n[nH]c(C)c1NC(=O)C[NH2+][C@H](c1cncc(Br)c1)C1CC1 ZINC000284676677 563486122 /nfs/dbraw/zinc/48/61/22/563486122.db2.gz HFAFWTLWUUNFEU-INIZCTEOSA-N 1 0 378.274 2.863 20 0 GFADRO COc1ccc(Br)c(CC(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)c1 ZINC000377773179 563486486 /nfs/dbraw/zinc/48/64/86/563486486.db2.gz HTXHXFBHGAADGC-AWEZNQCLSA-N 1 0 381.314 2.848 20 0 GFADRO Cc1sc(=O)n(CCC(=O)NC[C@H]2CC[N@@H+](C)[C@@H]2c2cccs2)c1C ZINC000377773356 563486577 /nfs/dbraw/zinc/48/65/77/563486577.db2.gz DPLHWSKGRGVBAK-PBHICJAKSA-N 1 0 379.551 2.787 20 0 GFADRO CC(C)CNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H](c1cncc(Br)c1)C1CC1 ZINC000284763956 563489550 /nfs/dbraw/zinc/48/95/50/563489550.db2.gz MGEOSZLQFCUNJL-IAQYHMDHSA-N 1 0 397.317 2.755 20 0 GFADRO CN1C(=O)N[C@]2(CCC[C@@H]2C[NH2+]Cc2csc(-c3ccsc3)n2)C1=O ZINC000377977660 563492488 /nfs/dbraw/zinc/49/24/88/563492488.db2.gz MKUVBPRNGBNGFP-PXAZEXFGSA-N 1 0 376.507 2.682 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)N2CCC(n3cc(Br)cn3)CC2)C[N@@H+]1C1CC1 ZINC000378055714 563494511 /nfs/dbraw/zinc/49/45/11/563494511.db2.gz TUQVCUAJQLJGIX-OCCSQVGLSA-N 1 0 396.333 2.617 20 0 GFADRO Cn1cc(C(=O)N(Cc2ccccc2Br)C2CC[NH+](C)CC2)cn1 ZINC000378069464 563495420 /nfs/dbraw/zinc/49/54/20/563495420.db2.gz IVGNGFLCLFZOEO-UHFFFAOYSA-N 1 0 391.313 2.919 20 0 GFADRO CS(=O)(=O)[C@H]1CCC[C@@H]([NH2+]CCc2ccc(OCC(F)(F)F)nc2)C1 ZINC000284946688 563496096 /nfs/dbraw/zinc/49/60/96/563496096.db2.gz FAAUWMNJXAPAOO-KGLIPLIRSA-N 1 0 380.432 2.511 20 0 GFADRO C[C@H]([NH2+][C@@H]1CC(=O)N(C)[C@H]1c1ccnn1C)c1ccc(Br)cc1 ZINC000284980083 563497307 /nfs/dbraw/zinc/49/73/07/563497307.db2.gz XVLXIIRDHALQSQ-FABXCBLPSA-N 1 0 377.286 2.805 20 0 GFADRO CS[C@H]1CN(S(=O)(=O)c2ccc3nc(C)sc3c2)C[C@H]1[NH+]1CCCC1 ZINC000330181972 563497878 /nfs/dbraw/zinc/49/78/78/563497878.db2.gz GXFNOERKKMGBJO-WBVHZDCISA-N 1 0 397.591 2.805 20 0 GFADRO O=C(NC1CC[NH2+]CC1)[C@H]1CCCN1c1ncc(C(F)(F)F)cc1Cl ZINC000378183948 563498299 /nfs/dbraw/zinc/49/82/99/563498299.db2.gz QOQYGXHFXFJCRQ-CYBMUJFWSA-N 1 0 376.810 2.591 20 0 GFADRO O=S(=O)(c1ccc(F)cc1C(F)(F)F)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000378222105 563499073 /nfs/dbraw/zinc/49/90/73/563499073.db2.gz FMTGVLGWVJCHEM-BXUZGUMPSA-N 1 0 380.407 2.997 20 0 GFADRO C[C@@H]([NH2+][C@H](CO)c1ccc(Br)cc1)C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000428798286 563502327 /nfs/dbraw/zinc/50/23/27/563502327.db2.gz GQMDXZIIOVKAKO-UMPJEAMMSA-N 1 0 383.330 2.965 20 0 GFADRO OC[C@H]1CCC[N@@H+]1C[C@@H]1CCCN1Cc1cnc2ccc(Br)cn12 ZINC000378330589 563502855 /nfs/dbraw/zinc/50/28/55/563502855.db2.gz BLXIROYLWXMQDK-JKSUJKDBSA-N 1 0 393.329 2.518 20 0 GFADRO Cn1nccc1[C@H]1[C@H](CNC(=O)c2ccccc2Br)CCC[N@@H+]1C ZINC000285099568 563503156 /nfs/dbraw/zinc/50/31/56/563503156.db2.gz DZWMWGALGWVUDC-SUMWQHHRSA-N 1 0 391.313 2.996 20 0 GFADRO O=S(=O)(C[C@H](O)C[NH2+]Cc1ccc(C(F)(F)F)s1)c1cccs1 ZINC000428862679 563503425 /nfs/dbraw/zinc/50/34/25/563503425.db2.gz OHKRHUDPYBYRNH-SECBINFHSA-N 1 0 385.454 2.753 20 0 GFADRO Cc1ccc(Br)cc1S(=O)(=O)N1CCC[C@H]([NH+](C)C)CC1 ZINC000428878681 563504406 /nfs/dbraw/zinc/50/44/06/563504406.db2.gz FANMHNSBVBMCFO-AWEZNQCLSA-N 1 0 375.332 2.862 20 0 GFADRO COCCC[N@@H+]1CCCN(C(=O)C[C@H](O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000378394582 563505199 /nfs/dbraw/zinc/50/51/99/563505199.db2.gz KMAKAMPSXJSCRM-KRWDZBQOSA-N 1 0 389.323 2.988 20 0 GFADRO CC(=O)N[C@H](CC(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1)c1ccc(Br)cc1 ZINC000428993775 563506373 /nfs/dbraw/zinc/50/63/73/563506373.db2.gz NTWGKKXWPSEAOU-SRCQZFHVSA-N 1 0 396.329 2.521 20 0 GFADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)Nc3ccc(I)cc3)C[C@@H]21 ZINC000378449637 563507599 /nfs/dbraw/zinc/50/75/99/563507599.db2.gz GHBUXLOEDXSDNU-RISCZKNCSA-N 1 0 385.249 2.849 20 0 GFADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)c3csc(I)c3)[C@H]2C1 ZINC000378489972 563509123 /nfs/dbraw/zinc/50/91/23/563509123.db2.gz BYMCSZBPEHEYLA-KOLCDFICSA-N 1 0 376.263 2.519 20 0 GFADRO CS(=O)(=O)[C@@H]1CCC[C@@H]([NH2+]CCc2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000285239751 563510483 /nfs/dbraw/zinc/51/04/83/563510483.db2.gz PNYSFZKYAHUKOP-HUUCEWRRSA-N 1 0 383.901 2.878 20 0 GFADRO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)[C@@H](c1ccc(Cl)cc1Cl)N1CCOCC1 ZINC000429136445 563510931 /nfs/dbraw/zinc/51/09/31/563510931.db2.gz RPSWZCAZZKLJMS-AFAVFJNCSA-N 1 0 386.323 2.610 20 0 GFADRO CN(Cc1cc(Br)cs1)C(=O)C[NH2+][C@H]1Cc2cccc(O)c2C1 ZINC000429225050 563512259 /nfs/dbraw/zinc/51/22/59/563512259.db2.gz DFMMPXGJVGXYAN-ZDUSSCGKSA-N 1 0 395.322 2.932 20 0 GFADRO O=S(=O)(CC[NH2+][C@@H]1Cc2cccc(O)c2C1)c1cccc(Br)c1 ZINC000429262967 563513361 /nfs/dbraw/zinc/51/33/61/563513361.db2.gz WSNCGVDLKSJPKC-CQSZACIVSA-N 1 0 396.306 2.685 20 0 GFADRO C[C@H](NC(=O)c1ccc(Br)cc1)C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000429327565 563514886 /nfs/dbraw/zinc/51/48/86/563514886.db2.gz KPJPHIMWGWLGOK-LRDDRELGSA-N 1 0 396.329 2.591 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+][C@@H]2CCc3cc(Br)ccc32)cc1 ZINC000386495015 563518824 /nfs/dbraw/zinc/51/88/24/563518824.db2.gz ZITYQJJKOUWQAM-MRXNPFEDSA-N 1 0 381.295 2.874 20 0 GFADRO CCC([NH3+])(CC)CNC(=O)[C@@H](NC(=O)c1ccccc1Br)C(C)C ZINC000429660782 563520424 /nfs/dbraw/zinc/52/04/24/563520424.db2.gz VNHWCKCZUPJSGA-HNNXBMFYSA-N 1 0 398.345 2.837 20 0 GFADRO COCC[C@@]1(C(=O)Nc2ccc(C)c(I)c2)CC[NH2+]C1 ZINC000429747853 563521826 /nfs/dbraw/zinc/52/18/26/563521826.db2.gz YQTOLEZXLOFRKA-HNNXBMFYSA-N 1 0 388.249 2.554 20 0 GFADRO C[C@@H]1C[C@@H](C)C[NH+](CCCNS(=O)(=O)c2ccc(Br)o2)C1 ZINC000330800959 563521801 /nfs/dbraw/zinc/52/18/01/563521801.db2.gz CXNDXAPHRUDATL-VXGBXAGGSA-N 1 0 379.320 2.688 20 0 GFADRO C[C@@H](Cc1ccc(Br)cc1)[NH2+]Cc1ccc(S(N)(=O)=O)cc1 ZINC000389466277 563522145 /nfs/dbraw/zinc/52/21/45/563522145.db2.gz LWMYXLADSBVYKF-LBPRGKRZSA-N 1 0 383.311 2.817 20 0 GFADRO C[C@H]([NH2+][C@H]1CCCC[C@@H]1NS(C)(=O)=O)c1ccc(Br)cc1 ZINC000330828769 563523079 /nfs/dbraw/zinc/52/30/79/563523079.db2.gz GOHJQCBVYFZNLI-CQDKDKBSSA-N 1 0 375.332 2.960 20 0 GFADRO COc1cc(Br)c(CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1OC ZINC000330862827 563524508 /nfs/dbraw/zinc/52/45/08/563524508.db2.gz MKTLXIHGSCXLTE-RYUDHWBXSA-N 1 0 385.302 2.813 20 0 GFADRO COC(=O)c1ccc(C[NH2+]CCC(=O)N2CCCCC2)c(Br)c1 ZINC000391575136 563525547 /nfs/dbraw/zinc/52/55/47/563525547.db2.gz XVDYGBWIKJRSCU-UHFFFAOYSA-N 1 0 383.286 2.728 20 0 GFADRO Cc1cccc(C)c1OC[C@H](O)C[NH2+]CCCn1cc(Br)cn1 ZINC000392010980 563526409 /nfs/dbraw/zinc/52/64/09/563526409.db2.gz VSARYBPRXVSXOH-MRXNPFEDSA-N 1 0 382.302 2.682 20 0 GFADRO CS(=O)(=O)N[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(OC(F)F)c(Cl)c1 ZINC000331015075 563531339 /nfs/dbraw/zinc/53/13/39/563531339.db2.gz OWGPVQCEOLKQIU-OLZOCXBDSA-N 1 0 382.860 2.891 20 0 GFADRO COc1cc(Cl)c(C[NH2+][C@@H]2CCCC[C@@H]2NS(C)(=O)=O)cc1Cl ZINC000331030244 563532050 /nfs/dbraw/zinc/53/20/50/563532050.db2.gz YUXDLOXEFAGZIV-KGLIPLIRSA-N 1 0 381.325 2.952 20 0 GFADRO C[C@@H](C[N@H+](C)[C@H]1CCN(S(C)(=O)=O)C1)c1cccc(Br)c1 ZINC000430105834 563533431 /nfs/dbraw/zinc/53/34/31/563533431.db2.gz OLXOAYJIFSHVQB-WFASDCNBSA-N 1 0 375.332 2.518 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCCN(S(C)(=O)=O)C1)c1ccc(F)c(Br)c1 ZINC000400155699 563534304 /nfs/dbraw/zinc/53/43/04/563534304.db2.gz DNVPNGHAZIFNOR-CMPLNLGQSA-N 1 0 379.295 2.663 20 0 GFADRO CS(=O)(=O)N1CC[C@H]([NH2+]Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 ZINC000400242461 563534385 /nfs/dbraw/zinc/53/43/85/563534385.db2.gz IRNGYEWQPABYQG-LBPRGKRZSA-N 1 0 390.349 2.848 20 0 GFADRO C[C@@H](C(=O)NC[C@@H](CO)Cc1cccc(Br)c1)[NH+]1CCCCCC1 ZINC000430136082 563535129 /nfs/dbraw/zinc/53/51/29/563535129.db2.gz RTFIDKAROPNBTK-RDJZCZTQSA-N 1 0 397.357 2.981 20 0 GFADRO CC[C@@H](C(=O)NC[C@@H](CO)Cc1cccc(Br)c1)[NH+](CC)CC ZINC000430146114 563535833 /nfs/dbraw/zinc/53/58/33/563535833.db2.gz GCLDOZLIRDSFIA-RDJZCZTQSA-N 1 0 385.346 2.837 20 0 GFADRO C[NH2+]Cc1ccccc1CNS(=O)(=O)c1cc(Br)ccc1C ZINC000404578636 563536845 /nfs/dbraw/zinc/53/68/45/563536845.db2.gz VKTUXKDRQNXMRS-UHFFFAOYSA-N 1 0 383.311 2.955 20 0 GFADRO COc1ccc(CN2C[C@@H](N3CCOCC3)C[C@H]2C)c(Br)c1OC ZINC000285794318 563537560 /nfs/dbraw/zinc/53/75/60/563537560.db2.gz FPFVXJQFNODLCF-HIFRSBDPSA-N 1 0 399.329 2.761 20 0 GFADRO Cc1sc(Br)cc1S(=O)(=O)N1CCCC[C@H]1C[NH+](C)C ZINC000405193455 563538144 /nfs/dbraw/zinc/53/81/44/563538144.db2.gz WKQMBHVTPOJCCB-NSHDSACASA-N 1 0 381.361 2.924 20 0 GFADRO CNC(=O)[C@]1(C)CC[N@@H+]([C@@H](C)C(=O)Nc2ccc(Br)c(C)c2)C1 ZINC000430269173 563540577 /nfs/dbraw/zinc/54/05/77/563540577.db2.gz NFYDOMQRWDQDBV-YVEFUNNKSA-N 1 0 382.302 2.543 20 0 GFADRO O=C(c1cccc(Br)c1F)N1CC[C@@H](OCC[NH+]2CCCC2)C1 ZINC000430309253 563540945 /nfs/dbraw/zinc/54/09/45/563540945.db2.gz VUQMMUXDEACKFG-CYBMUJFWSA-N 1 0 385.277 2.915 20 0 GFADRO C[C@@H]1CN(C(=O)c2cc(Br)c(F)cc2F)CCN1CC(C)(C)O ZINC000430339087 563541586 /nfs/dbraw/zinc/54/15/86/563541586.db2.gz IKSGMQWBGXNESQ-SNVBAGLBSA-N 1 0 391.256 2.645 20 0 GFADRO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+][C@H](C)c2cc(C(=O)OC)cs2)c1 ZINC000285933362 563542679 /nfs/dbraw/zinc/54/26/79/563542679.db2.gz FHUHVXFPELYKGD-VXGBXAGGSA-N 1 0 382.507 2.855 20 0 GFADRO C[C@@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000331284252 563543681 /nfs/dbraw/zinc/54/36/81/563543681.db2.gz KTHNVNYYRZAYGS-LVRJZDEYSA-N 1 0 390.293 2.809 20 0 GFADRO Cc1cc(C[NH2+][C@@H]2CCO[C@]3(CCS(=O)(=O)C3)C2)sc1Br ZINC000408119782 563545481 /nfs/dbraw/zinc/54/54/81/563545481.db2.gz OVWPIXRLSUMROW-BXUZGUMPSA-N 1 0 394.356 2.645 20 0 GFADRO C[NH2+]C[C@@H]1CCCN(Cc2nc(Cc3cccc(Br)c3)no2)C1 ZINC000430600310 563546756 /nfs/dbraw/zinc/54/67/56/563546756.db2.gz HJNIKXPPEWBNOX-AWEZNQCLSA-N 1 0 379.302 2.854 20 0 GFADRO C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)c1nn(-c2ccc(F)cc2)cc1Br ZINC000286065118 563547204 /nfs/dbraw/zinc/54/72/04/563547204.db2.gz LZALXPSRGJHSRD-UEKVPHQBSA-N 1 0 395.276 2.890 20 0 GFADRO Cc1ccc(C[NH2+][C@H]2CCCC[C@@H]2NS(C)(=O)=O)c(Br)c1 ZINC000331352932 563547284 /nfs/dbraw/zinc/54/72/84/563547284.db2.gz ZQUXUMGDORWCSF-GJZGRUSLSA-N 1 0 375.332 2.708 20 0 GFADRO COCC[N@@H+]1CC[C@H](NC(=O)CCc2cc(Cl)ccc2Br)C1 ZINC000430689652 563547541 /nfs/dbraw/zinc/54/75/41/563547541.db2.gz FOYGPVOPCPHIIG-AWEZNQCLSA-N 1 0 389.721 2.872 20 0 GFADRO O=S(=O)(c1ccc(Br)o1)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000408215533 563547896 /nfs/dbraw/zinc/54/78/96/563547896.db2.gz SRDFTBQLXVTVAN-AAEUAGOBSA-N 1 0 389.315 2.680 20 0 GFADRO C[C@@H](O)CC(C)(C)C[NH2+][C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430708886 563548089 /nfs/dbraw/zinc/54/80/89/563548089.db2.gz VIHRYBVOYNKWDV-MNOVXSKESA-N 1 0 393.347 2.544 20 0 GFADRO CNC(=O)[C@@]1(C)CC[N@H+](Cc2cnn(-c3ccc(Br)cc3)c2)C1 ZINC000430765700 563548946 /nfs/dbraw/zinc/54/89/46/563548946.db2.gz GHNZMUGCMGHMJH-KRWDZBQOSA-N 1 0 377.286 2.593 20 0 GFADRO CCCN(CC[NH+]1CCCCC1)C(=O)c1cnn2cc(Br)cnc12 ZINC000286133468 563549794 /nfs/dbraw/zinc/54/97/94/563549794.db2.gz HJMOVVQDHDZQSH-UHFFFAOYSA-N 1 0 394.317 2.830 20 0 GFADRO CO[C@H]1C[C@@H](CO)[N@H+](CC(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000331456154 563549915 /nfs/dbraw/zinc/54/99/15/563549915.db2.gz APRYGQAXBWNXMT-GRDNDAEWSA-N 1 0 387.307 2.739 20 0 GFADRO C[NH+](C)[C@@H](CNc1cc(S(=O)(=O)N2CCCC2)ccn1)c1ccsc1 ZINC000286189099 563551858 /nfs/dbraw/zinc/55/18/58/563551858.db2.gz QTPXQXQDWNEITC-INIZCTEOSA-N 1 0 380.539 2.642 20 0 GFADRO Cc1cc([C@H]2CCC[N@@H+]2CCCN2C(=O)CNC2=O)ccc1Br ZINC000331591620 563554186 /nfs/dbraw/zinc/55/41/86/563554186.db2.gz UUIZGCWJTXDUQN-OAHLLOKOSA-N 1 0 380.286 2.836 20 0 GFADRO C[C@@H]1C[NH2+]CCN1C(=O)Nc1cc(Br)cc(C(=O)N2CCCC2)c1 ZINC000331653430 563556592 /nfs/dbraw/zinc/55/65/92/563556592.db2.gz LHJVZEWILYZPLR-GFCCVEGCSA-N 1 0 395.301 2.511 20 0 GFADRO Cc1cc(C(=O)N2CC[NH2+]C(C)(C)C2)nn1-c1ccc(Br)cc1 ZINC000431343736 563559388 /nfs/dbraw/zinc/55/93/88/563559388.db2.gz IBCLZENIXRZXPO-UHFFFAOYSA-N 1 0 377.286 2.767 20 0 GFADRO CC[NH+]1CCN(CC(=O)NCCOc2c(Cl)cc(Cl)cc2Cl)CC1 ZINC000431505253 563561161 /nfs/dbraw/zinc/56/11/61/563561161.db2.gz AZQDBUAJKGAURM-UHFFFAOYSA-N 1 0 394.730 2.779 20 0 GFADRO Cc1cc(C)c(S(=O)(=O)N2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)s1 ZINC000431533436 563562322 /nfs/dbraw/zinc/56/23/22/563562322.db2.gz ROKWUZGEBAZOOQ-HZPDHXFCSA-N 1 0 385.599 2.544 20 0 GFADRO Cc1nn(-c2ccc(C(=O)N3C[C@@H](C)[C@H]([NH3+])C3)cc2)c(C)c1Br ZINC000331900311 563565931 /nfs/dbraw/zinc/56/59/31/563565931.db2.gz ITFBONQOVODUHP-MEBBXXQBSA-N 1 0 377.286 2.671 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)c(Br)c1 ZINC000431705637 563566766 /nfs/dbraw/zinc/56/67/66/563566766.db2.gz BCHSCIIBIHDEHM-KBPBESRZSA-N 1 0 396.329 2.993 20 0 GFADRO C[NH+](C)[C@]1(CNC(=O)N[C@@H]2CCN(c3cccc(Cl)c3)C2)CCSC1 ZINC000431684265 563566904 /nfs/dbraw/zinc/56/69/04/563566904.db2.gz FCDNSJXBZCFPPZ-QAPCUYQASA-N 1 0 382.961 2.655 20 0 GFADRO C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)NC[C@H](O)C[NH+]1CCC(C)CC1 ZINC000409718801 563569415 /nfs/dbraw/zinc/56/94/15/563569415.db2.gz HMPNEPNMGGOSDQ-KGLIPLIRSA-N 1 0 389.323 2.970 20 0 GFADRO C[NH+](C)CCCCNC(=O)c1ccc2cc(I)ccc2n1 ZINC000431847150 563569906 /nfs/dbraw/zinc/56/99/06/563569906.db2.gz LALSZDAIHPIXGJ-UHFFFAOYSA-N 1 0 397.260 2.911 20 0 GFADRO C[C@@H](NC(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1)c1ncc(Br)cn1 ZINC000431986199 563573112 /nfs/dbraw/zinc/57/31/12/563573112.db2.gz KQKPOFNBFWWXPY-DOMZBBRYSA-N 1 0 396.333 2.864 20 0 GFADRO CCN(CC)c1nc2sc(C(=O)NCCNc3cc[nH+]cc3)cc2s1 ZINC000409901644 563573922 /nfs/dbraw/zinc/57/39/22/563573922.db2.gz LICSNYFWCJEQMZ-UHFFFAOYSA-N 1 0 375.523 2.863 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)N1CC[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000332069156 563574441 /nfs/dbraw/zinc/57/44/41/563574441.db2.gz UANZALAEGNFVRS-HIFRSBDPSA-N 1 0 394.313 2.557 20 0 GFADRO Cn1cc(Br)c(C(=O)N2CCC[N@H+](Cc3ccccc3)CC2)n1 ZINC000432068662 563574614 /nfs/dbraw/zinc/57/46/14/563574614.db2.gz WWPBVARINXLBGH-UHFFFAOYSA-N 1 0 377.286 2.531 20 0 GFADRO Cc1oc(Br)cc1C(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000332138517 563578875 /nfs/dbraw/zinc/57/88/75/563578875.db2.gz LQCXRBVDLQYQRD-LSDHHAIUSA-N 1 0 385.302 2.848 20 0 GFADRO CN(C)c1cc(NC(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)ncc1Br ZINC000332152804 563579909 /nfs/dbraw/zinc/57/99/09/563579909.db2.gz IZXUJCZBUGELTI-GMXVVIOVSA-N 1 0 382.306 2.501 20 0 GFADRO CC[C@@H]1CN(Cc2nc3ccc(Br)cc3o2)CC[N@@H+]1C[C@H](C)O ZINC000332165524 563580626 /nfs/dbraw/zinc/58/06/26/563580626.db2.gz BAKIINNIXVHIKY-GXTWGEPZSA-N 1 0 382.302 2.867 20 0 GFADRO C[C@@H](C[NH+](C)C)NC(=O)c1cnn(-c2ncccc2Cl)c1C(F)(F)F ZINC000286947043 563580866 /nfs/dbraw/zinc/58/08/66/563580866.db2.gz KHGHQHINZPFVAN-VIFPVBQESA-N 1 0 375.782 2.619 20 0 GFADRO COc1ccc(C[NH2+][C@H]2CCN(c3cccc(Br)c3)C2=O)cn1 ZINC000432334246 563581437 /nfs/dbraw/zinc/58/14/37/563581437.db2.gz FULJMOQJAIFXPP-HNNXBMFYSA-N 1 0 376.254 2.748 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@H](NC(=O)[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C1 ZINC000332219625 563584568 /nfs/dbraw/zinc/58/45/68/563584568.db2.gz XVJXUHIYENVXHK-OUCADQQQSA-N 1 0 384.307 2.945 20 0 GFADRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)c1cc(=O)[nH]c2c(Br)cccc12 ZINC000332226912 563585053 /nfs/dbraw/zinc/58/50/53/563585053.db2.gz OJALDDHCEHNZRF-GHMZBOCLSA-N 1 0 378.270 2.868 20 0 GFADRO C[C@@H](NC(=O)NCCC[NH+]1CCC(C)CC1)c1ncc(Br)cn1 ZINC000432519268 563586509 /nfs/dbraw/zinc/58/65/09/563586509.db2.gz ZYRUVBJAMNDTKK-CYBMUJFWSA-N 1 0 384.322 2.721 20 0 GFADRO C[NH+](C)CCc1ccccc1NC(=O)NCc1cc(Br)cnc1N ZINC000287128117 563589171 /nfs/dbraw/zinc/58/91/71/563589171.db2.gz KYPBDLZQFRHBDA-UHFFFAOYSA-N 1 0 392.301 2.852 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)N[C@H]2COc3cc(F)c(Br)cc32)C1 ZINC000332313288 563592132 /nfs/dbraw/zinc/59/21/32/563592132.db2.gz XZJOCPUTSYHQAK-BHDSKKPTSA-N 1 0 386.265 2.791 20 0 GFADRO C[C@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH2+]Cc1cnnn1C ZINC000287288719 563594923 /nfs/dbraw/zinc/59/49/23/563594923.db2.gz JZYXFCGATIMROT-SECBINFHSA-N 1 0 375.782 2.994 20 0 GFADRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)CCCS(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000287303498 563595648 /nfs/dbraw/zinc/59/56/48/563595648.db2.gz DQHJTJBDSUSRCU-CVEARBPZSA-N 1 0 386.945 2.883 20 0 GFADRO O=C(Nc1ccc(F)cc1I)N[C@@H]1CCCC[NH2+]C1 ZINC000332381728 563596158 /nfs/dbraw/zinc/59/61/58/563596158.db2.gz UZYBRZXFKOTRRN-SNVBAGLBSA-N 1 0 377.201 2.694 20 0 GFADRO CCn1cc(Br)cc1C(=O)N1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000332408068 563597757 /nfs/dbraw/zinc/59/77/57/563597757.db2.gz DECBKDVBYJDDKB-GOEBONIOSA-N 1 0 384.318 2.629 20 0 GFADRO COC(=O)CC1CC[NH+]([C@@H]2CCN(c3cccc(Br)c3)C2=O)CC1 ZINC000432962002 563598955 /nfs/dbraw/zinc/59/89/55/563598955.db2.gz UVDXEOJZYODVLG-MRXNPFEDSA-N 1 0 395.297 2.830 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)C(=O)N2CCc3cc(Cl)c(Cl)cc3[C@@H]2C)CC[NH2+]1 ZINC000332445069 563598949 /nfs/dbraw/zinc/59/89/49/563598949.db2.gz CYDIEORVDYAJLZ-NTZNESFSSA-N 1 0 384.307 2.696 20 0 GFADRO CN(Cc1cc(Br)cs1)C(=O)C[N@@H+]1CC[C@@H](O)C12CCCC2 ZINC000433033530 563601013 /nfs/dbraw/zinc/60/10/13/563601013.db2.gz PXQDZCLJMCREEQ-CQSZACIVSA-N 1 0 387.343 2.848 20 0 GFADRO C[NH+](C)[C@H]1CCCN(S(=O)(=O)Cc2cccc(Br)c2)CC1 ZINC000287461457 563602469 /nfs/dbraw/zinc/60/24/69/563602469.db2.gz RQBVAEUQZCOGKL-HNNXBMFYSA-N 1 0 375.332 2.695 20 0 GFADRO O=C(Nc1cc(Cl)c(Cl)cc1Cl)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000332560610 563604066 /nfs/dbraw/zinc/60/40/66/563604066.db2.gz QFVBXOALYQWVCP-RKDXNWHRSA-N 1 0 376.671 2.653 20 0 GFADRO CC(C)[C@H](C[NH3+])C(=O)N[C@@H](C)c1nc(-c2ccc(Br)cc2)no1 ZINC000433151088 563605081 /nfs/dbraw/zinc/60/50/81/563605081.db2.gz HJISWBTVJPRNPX-GWCFXTLKSA-N 1 0 381.274 2.907 20 0 GFADRO OCC[N@H+](C[C@@H](O)COc1cc(Cl)ccc1Cl)[C@H]1CCCSC1 ZINC000433208895 563606514 /nfs/dbraw/zinc/60/65/14/563606514.db2.gz PJLRICRADXUQST-UONOGXRCSA-N 1 0 380.337 2.923 20 0 GFADRO COCC[N@H+](CC(=O)NCCOc1ccc(Cl)cc1)[C@H]1CCCSC1 ZINC000433202852 563606852 /nfs/dbraw/zinc/60/68/52/563606852.db2.gz UOZJTKDFZSNFBG-INIZCTEOSA-N 1 0 386.945 2.679 20 0 GFADRO CC(C)[C@@H]1CN([C@@H]2CCN(c3cccc(Br)c3)C2=O)CC[N@@H+]1C ZINC000433240319 563607205 /nfs/dbraw/zinc/60/72/05/563607205.db2.gz AQRMYCHZAQCSIB-SJORKVTESA-N 1 0 380.330 2.826 20 0 GFADRO CSc1nnc(CNC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)s1 ZINC000287558914 563607348 /nfs/dbraw/zinc/60/73/48/563607348.db2.gz DXNKFZMJAQIVFI-JSGCOSHPSA-N 1 0 377.539 2.722 20 0 GFADRO CS[C@@H]1CN([C@@H]2CCN(c3cccc(Br)c3)C2=O)C[C@@H]1[NH+](C)C ZINC000433251230 563607487 /nfs/dbraw/zinc/60/74/87/563607487.db2.gz CCNWFSSOYLQSNZ-OWCLPIDISA-N 1 0 398.370 2.532 20 0 GFADRO C[C@@H]1C[N@H+](CCCNC(=O)NCc2ccc(Br)s2)CCCO1 ZINC000433294654 563608325 /nfs/dbraw/zinc/60/83/25/563608325.db2.gz NBDVDUCSBOKWOY-GFCCVEGCSA-N 1 0 390.347 2.811 20 0 GFADRO O=C(C[N@H+]1CC[C@@H](Cc2ccc(Br)cc2)C1)NC[C@H]1CCCO1 ZINC000433315729 563609427 /nfs/dbraw/zinc/60/94/27/563609427.db2.gz ZHMCIBVHBWJZNU-DOTOQJQBSA-N 1 0 381.314 2.609 20 0 GFADRO C[C@H]1C[N@H+](CCCNC(=O)NCc2ccc(Br)cc2)CCCO1 ZINC000433332020 563610051 /nfs/dbraw/zinc/61/00/51/563610051.db2.gz RELFTIDEGXGYGI-AWEZNQCLSA-N 1 0 384.318 2.749 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)c2nn(-c3ccc(F)cc3)cc2Br)CC[N@@H+]1C ZINC000332665220 563611069 /nfs/dbraw/zinc/61/10/69/563611069.db2.gz OZOHAJROWARPSA-DGCLKSJQSA-N 1 0 395.276 2.986 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)N[C@@H]2CCN(c3ccc(Br)cc3)C2)C1 ZINC000332673961 563611096 /nfs/dbraw/zinc/61/10/96/563611096.db2.gz QCZLHLCABWVJQW-OFQRWUPVSA-N 1 0 395.345 2.797 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)c2ccn(-c3cccc(Br)c3)n2)CC[N@@H+]1C ZINC000332714560 563613367 /nfs/dbraw/zinc/61/33/67/563613367.db2.gz ZKSSKFLHOXYMNK-OCCSQVGLSA-N 1 0 377.286 2.847 20 0 GFADRO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cnc2ccc(Br)cc2c1O ZINC000332898109 563616144 /nfs/dbraw/zinc/61/61/44/563616144.db2.gz MULCQMRHFMMJQB-YPMHNXCESA-N 1 0 390.281 2.599 20 0 GFADRO Cc1cc(NC(=O)C(=O)NCC[N@H+]2CC=C(C)CC2)cc(F)c1Br ZINC000411359615 563616710 /nfs/dbraw/zinc/61/67/10/563616710.db2.gz VGZKYJOCIZASJC-UHFFFAOYSA-N 1 0 398.276 2.603 20 0 GFADRO CS[C@@H]1C[N@H+](CCC(=O)Nc2ccccc2Br)C[C@H]1N(C)C ZINC000411432371 563619104 /nfs/dbraw/zinc/61/91/04/563619104.db2.gz YUYFAIBULUECHK-HUUCEWRRSA-N 1 0 386.359 2.755 20 0 GFADRO COc1cc(Br)c(S(=O)(=O)N[C@@H](C)CC[NH+](C)C)cc1Cl ZINC000433810471 563619838 /nfs/dbraw/zinc/61/98/38/563619838.db2.gz FIBQNLFCUIPIFS-VIFPVBQESA-N 1 0 399.738 2.730 20 0 GFADRO CSc1cc(NC(=O)C(=O)NCC2CC[NH+](C3CC3)CC2)ccc1Cl ZINC000411473259 563620231 /nfs/dbraw/zinc/62/02/31/563620231.db2.gz OTYFQEBKJAKFEG-UHFFFAOYSA-N 1 0 381.929 2.991 20 0 GFADRO O=S(=O)(NC[C@H]1CCCCN1C1CC1)c1ccccc1OC(F)(F)F ZINC000333127436 563621330 /nfs/dbraw/zinc/62/13/30/563621330.db2.gz IDNFOWHZGRAVEK-CYBMUJFWSA-N 1 0 378.416 2.880 20 0 GFADRO OC[C@@H]([NH2+]Cc1c(F)c(F)c(Br)c(F)c1F)C1CCOCC1 ZINC000411504082 563621580 /nfs/dbraw/zinc/62/15/80/563621580.db2.gz LSWTWAUOWNPHBN-SECBINFHSA-N 1 0 386.183 2.883 20 0 GFADRO COc1cc(C)c(S(=O)(=O)N2C[C@@H](SC)[C@@H]([NH+](C)C)C2)cc1C(C)C ZINC000433874490 563621783 /nfs/dbraw/zinc/62/17/83/563621783.db2.gz WPKQZBBRJSJLNQ-DOTOQJQBSA-N 1 0 386.583 2.793 20 0 GFADRO CS[C@@H]1CN(CCC(=O)NCc2ccccc2Cl)C[C@H]1[NH+]1CCCC1 ZINC000411529671 563622509 /nfs/dbraw/zinc/62/25/09/563622509.db2.gz UVHBAIIPRPDOEO-QZTJIDSGSA-N 1 0 381.973 2.858 20 0 GFADRO COc1cc(Br)c(NC(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)cc1OC ZINC000333180615 563623456 /nfs/dbraw/zinc/62/34/56/563623456.db2.gz RVTTXPYOUCZYDH-CMPLNLGQSA-N 1 0 384.274 2.682 20 0 GFADRO CNC(=O)NC(=O)CC[NH2+][C@H](CC1CC1)c1cc(F)cc(Br)c1 ZINC000411576396 563624548 /nfs/dbraw/zinc/62/45/48/563624548.db2.gz YXVHMLDDLPKWDH-CQSZACIVSA-N 1 0 386.265 2.865 20 0 GFADRO O=C(Nc1cc(Br)ccc1-n1cccn1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000333229994 563624777 /nfs/dbraw/zinc/62/47/77/563624777.db2.gz XZRJANZWRSTIFG-TZMCWYRMSA-N 1 0 390.285 2.851 20 0 GFADRO [NH3+][C@H]1CCO[C@@H](C2CCN(C(=O)c3c(F)cccc3Br)CC2)C1 ZINC000333331930 563628138 /nfs/dbraw/zinc/62/81/38/563628138.db2.gz WIXCEZMMZINUSB-SWLSCSKDSA-N 1 0 385.277 2.947 20 0 GFADRO CN(C(=O)Nc1ccc2nccnc2c1Br)[C@H]1CCC[NH2+]CC1 ZINC000333391060 563630033 /nfs/dbraw/zinc/63/00/33/563630033.db2.gz XMXABGSIWPWMNL-NSHDSACASA-N 1 0 378.274 2.998 20 0 GFADRO CC(C)c1csc(NC(=O)C(=O)N(CC[NH+](C)C)Cc2ccsc2)n1 ZINC000411697557 563630488 /nfs/dbraw/zinc/63/04/88/563630488.db2.gz SRKXARVMVZYNFI-UHFFFAOYSA-N 1 0 380.539 2.857 20 0 GFADRO C[C@@H]1C[C@@H](N2CCOCC2)CN1C(=O)NCc1sccc1Br ZINC000288152870 563631595 /nfs/dbraw/zinc/63/15/95/563631595.db2.gz NUWSKVLHXGBQJA-VXGBXAGGSA-N 1 0 388.331 2.515 20 0 GFADRO Cc1ccc(Br)c(NC(=O)C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)c1 ZINC000434560218 563632107 /nfs/dbraw/zinc/63/21/07/563632107.db2.gz ZWQIQVYCPFXTBH-CQSZACIVSA-N 1 0 394.313 2.829 20 0 GFADRO O=C(CC[NH2+][C@@H](C1CC1)[C@]1(CO)CCCO1)Nc1ccccc1Br ZINC000411772873 563633548 /nfs/dbraw/zinc/63/35/48/563633548.db2.gz RMMQHKSWYXJQHK-ZWKOTPCHSA-N 1 0 397.313 2.687 20 0 GFADRO COCC[C@H](Cc1cccc(Br)c1)C(=O)N1CC[NH2+][C@H](C)[C@H]1C ZINC000434704538 563635464 /nfs/dbraw/zinc/63/54/64/563635464.db2.gz YLFCDLIKJAVVEB-IIAWOOMASA-N 1 0 383.330 2.853 20 0 GFADRO C[C@@H]1NC(=O)N(CC[N@@H+]2CCC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)C1=O ZINC000333598657 563636591 /nfs/dbraw/zinc/63/65/91/563636591.db2.gz MDPLBFIJWYIWAU-WCQYABFASA-N 1 0 386.279 2.777 20 0 GFADRO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(S(=O)(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000333636459 563637148 /nfs/dbraw/zinc/63/71/48/563637148.db2.gz HLFPYIIVKZYSLK-GDBMZVCRSA-N 1 0 393.336 2.900 20 0 GFADRO [NH3+][C@H]1CCO[C@@H](C2CCN(S(=O)(=O)c3cc(Cl)cc(Cl)c3)CC2)C1 ZINC000333653926 563638004 /nfs/dbraw/zinc/63/80/04/563638004.db2.gz KHDFOVRXKCCTIB-GOEBONIOSA-N 1 0 393.336 2.900 20 0 GFADRO COC[C@@H]([NH2+]CC(=O)N(C)Cc1cc(Cl)cc(Cl)c1)[C@H]1CCCO1 ZINC000434782471 563638350 /nfs/dbraw/zinc/63/83/50/563638350.db2.gz DBGQAAGRLCAOPI-HZPDHXFCSA-N 1 0 375.296 2.735 20 0 GFADRO COC[C@H]([NH2+]Cc1cc2c(cc1Br)OCCCO2)[C@H]1CCCO1 ZINC000434785279 563638627 /nfs/dbraw/zinc/63/86/27/563638627.db2.gz LZVKXEISQTYEPZ-LSDHHAIUSA-N 1 0 386.286 2.894 20 0 GFADRO [NH3+][C@H]1CCCO[C@@H]1C1CCN(C(=O)NCc2ccc(Br)cc2)CC1 ZINC000333677077 563638724 /nfs/dbraw/zinc/63/87/24/563638724.db2.gz ZCJWSZUQEHDIJU-DLBZAZTESA-N 1 0 396.329 2.877 20 0 GFADRO COc1nc(C)c(Br)cc1C(=O)N1C[C@H]([NH+]2CCCC2)C[C@@H]1C ZINC000288340025 563638782 /nfs/dbraw/zinc/63/87/82/563638782.db2.gz JTZWBYQNXBEABF-WCQYABFASA-N 1 0 382.302 2.860 20 0 GFADRO O=C(N[C@H](c1cncc(Br)c1)C1CC1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000333677532 563639309 /nfs/dbraw/zinc/63/93/09/563639309.db2.gz ZDAAOGYDHKBLSV-RCBQFDQVSA-N 1 0 379.302 2.689 20 0 GFADRO O=C(N[C@@H]1COc2cc(F)c(Br)cc21)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000333741321 563640448 /nfs/dbraw/zinc/64/04/48/563640448.db2.gz IWUSIRCPUCDJQJ-RHSMWYFYSA-N 1 0 398.276 2.807 20 0 GFADRO O=C(N[C@@H]1COc2cc(F)c(Br)cc21)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000333741319 563640550 /nfs/dbraw/zinc/64/05/50/563640550.db2.gz IWUSIRCPUCDJQJ-PBHICJAKSA-N 1 0 398.276 2.807 20 0 GFADRO [NH3+][C@H]1CCCO[C@H]1C1CCN(C(=O)NCc2cccc(Br)c2)CC1 ZINC000333730078 563640591 /nfs/dbraw/zinc/64/05/91/563640591.db2.gz HQRIZCBZEBHAEB-IRXDYDNUSA-N 1 0 396.329 2.877 20 0 GFADRO O=S(=O)(NC1CCC(N2CC[NH2+]CC2)CC1)c1cc(Cl)sc1Cl ZINC000333766373 563641120 /nfs/dbraw/zinc/64/11/20/563641120.db2.gz DNFWSAYNEDDAFD-UHFFFAOYSA-N 1 0 398.381 2.550 20 0 GFADRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000333785356 563641871 /nfs/dbraw/zinc/64/18/71/563641871.db2.gz LPVOFGWNCHTGMT-LKTVYLICSA-N 1 0 385.295 2.538 20 0 GFADRO COc1cc(C[NH2+][C@H]2COc3ccccc3[C@H]2O)cc(Br)c1O ZINC000288412231 563642195 /nfs/dbraw/zinc/64/21/95/563642195.db2.gz AOWYXCKMLCBUDA-XJKSGUPXSA-N 1 0 380.238 2.748 20 0 GFADRO OC[C@H]([NH2+]Cc1cccc(Br)c1OC(F)F)[C@H]1CCCOC1 ZINC000411981349 563643280 /nfs/dbraw/zinc/64/32/80/563643280.db2.gz AFLUFYYCJDUDIF-AAEUAGOBSA-N 1 0 380.229 2.928 20 0 GFADRO C[C@H](CNC(=O)Nc1cc(Br)cn(C)c1=O)[N@@H+]1CCCC[C@@H]1C ZINC000435175831 563643965 /nfs/dbraw/zinc/64/39/65/563643965.db2.gz FTMHECDPZXZXFA-NWDGAFQWSA-N 1 0 385.306 2.532 20 0 GFADRO CN(Cc1c(F)cccc1Cl)S(=O)(=O)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000333851751 563643995 /nfs/dbraw/zinc/64/39/95/563643995.db2.gz NSEZKVGSIIMQFM-DYVFJYSZSA-N 1 0 389.924 2.620 20 0 GFADRO COC(=O)c1ccc(C[N@@H+]2CC[C@H](c3nnc(C)[nH]3)C2)c(Br)c1 ZINC000412034138 563644978 /nfs/dbraw/zinc/64/49/78/563644978.db2.gz DOOHVCQETDHDJL-ZDUSSCGKSA-N 1 0 379.258 2.652 20 0 GFADRO Cc1cccc(S(=O)(=O)NCC[N@H+]2CCC[C@H](C)C2)c1Br ZINC000435220607 563645818 /nfs/dbraw/zinc/64/58/18/563645818.db2.gz QGARIGIIVBJEPU-LBPRGKRZSA-N 1 0 375.332 2.768 20 0 GFADRO COc1ccc([C@@H](C)NC(=O)N2CC[C@@]3(CC[NH2+]C3)C2)cc1Br ZINC000333928044 563646043 /nfs/dbraw/zinc/64/60/43/563646043.db2.gz WYKGAGCTKOMBLS-SJKOYZFVSA-N 1 0 382.302 2.914 20 0 GFADRO O=C(c1cnn(-c2cccc(Br)c2)c1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000435243189 563646570 /nfs/dbraw/zinc/64/65/70/563646570.db2.gz RKNNKFODVUATAB-MRXNPFEDSA-N 1 0 375.270 2.601 20 0 GFADRO CO[C@@H]1CCN(Cc2nc(-c3ccc(Br)cc3)c[nH]2)[C@@H](C[NH3+])C1 ZINC000435387301 563648999 /nfs/dbraw/zinc/64/89/99/563648999.db2.gz ZGZDYRYRKWRAOZ-HUUCEWRRSA-N 1 0 379.302 2.777 20 0 GFADRO CC(C)c1nn(-c2ccc(Br)cc2)cc1CN1CCO[C@H](C[NH3+])C1 ZINC000435389611 563649063 /nfs/dbraw/zinc/64/90/63/563649063.db2.gz NBLBQYRYXFKGGU-QGZVFWFLSA-N 1 0 393.329 2.918 20 0 GFADRO CC(C)[N@@H+]1CCC[C@H](NS(=O)(=O)c2ccc(Br)cc2F)C1 ZINC000435440588 563651380 /nfs/dbraw/zinc/65/13/80/563651380.db2.gz XXXIWALNVHGYJG-LBPRGKRZSA-N 1 0 379.295 2.739 20 0 GFADRO Cc1ncsc1CN(C[C@H]1CC[NH2+]C1)C(=O)Cn1nc(C)c(Cl)c1C ZINC000435600722 563654294 /nfs/dbraw/zinc/65/42/94/563654294.db2.gz FPYWVCXUSMQREV-AWEZNQCLSA-N 1 0 381.933 2.557 20 0 GFADRO O=C(NC[C@H](CO)c1ccccc1Cl)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000412337459 563654501 /nfs/dbraw/zinc/65/45/01/563654501.db2.gz LHAXWATZAITTSA-HZPDHXFCSA-N 1 0 382.957 2.750 20 0 GFADRO O=C(Nc1n[nH]cc1Br)[C@@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F ZINC000412338701 563654533 /nfs/dbraw/zinc/65/45/33/563654533.db2.gz NYKBRVMEVRXRGF-LBPRGKRZSA-N 1 0 399.239 3.268 20 0 GFADRO Cc1nn(Cc2cccc(Br)c2)c(C)c1C(=O)NC[C@H](C)[NH+](C)C ZINC000412387558 563655784 /nfs/dbraw/zinc/65/57/84/563655784.db2.gz AZCRAMVOPDEPCH-LBPRGKRZSA-N 1 0 393.329 2.991 20 0 GFADRO Cc1ncsc1CN(CC(=O)N[C@H](C)c1cccs1)C[C@@H]1CC[NH2+]C1 ZINC000435737795 563657626 /nfs/dbraw/zinc/65/76/26/563657626.db2.gz LZPWKEHPZXFQJN-HUUCEWRRSA-N 1 0 378.567 2.802 20 0 GFADRO Cc1cc([C@@H]2CCCN2C(=O)[C@H]2C[N@@H+]3CCN2CCC3)ccc1Br ZINC000435971189 563661626 /nfs/dbraw/zinc/66/16/26/563661626.db2.gz YDBYVDXXDCSZLL-ZWKOTPCHSA-N 1 0 392.341 2.811 20 0 GFADRO Brc1ccn2cc(-c3nc([C@@H]4C[N@@H+]5CCC[C@@H]5CO4)no3)nc2c1 ZINC000288952314 563662829 /nfs/dbraw/zinc/66/28/29/563662829.db2.gz BDZICAJIEBISMI-YPMHNXCESA-N 1 0 390.241 2.683 20 0 GFADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@@H](C)c1ccc(Br)s1 ZINC000436158090 563665762 /nfs/dbraw/zinc/66/57/62/563665762.db2.gz YHGGZMSYYJKOEV-RYUDHWBXSA-N 1 0 390.347 2.982 20 0 GFADRO Cc1ccncc1CCC[NH+]1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000289115902 563668265 /nfs/dbraw/zinc/66/82/65/563668265.db2.gz NIFPTCFZXDUMAW-UHFFFAOYSA-N 1 0 379.551 2.827 20 0 GFADRO CCO[C@H]1C[C@@](CO)([NH2+]Cc2cc3c(c(Br)c2)OCO3)C1(C)C ZINC000436384566 563669809 /nfs/dbraw/zinc/66/98/09/563669809.db2.gz GPXAGLROVIEQCJ-YOEHRIQHSA-N 1 0 386.286 2.834 20 0 GFADRO O=C(c1cc(F)ccc1I)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000289160225 563670233 /nfs/dbraw/zinc/67/02/33/563670233.db2.gz GYPRSJUCJFLXCH-HNNXBMFYSA-N 1 0 388.224 2.646 20 0 GFADRO CC(C)[C@H]1C[N@H+](C)CCN1CC(=O)Nc1c(F)cc(F)cc1Br ZINC000436489885 563672186 /nfs/dbraw/zinc/67/21/86/563672186.db2.gz ZDFCGFPLPWGMTQ-CQSZACIVSA-N 1 0 390.272 2.938 20 0 GFADRO O=C([N-]C[C@@H]1CCC[N@@H+](C[C@@H](O)c2ccc(F)cc2Cl)C1)C(F)(F)F ZINC000289454542 563674721 /nfs/dbraw/zinc/67/47/21/563674721.db2.gz LJBYYJNBJGEAIG-IINYFYTJSA-N 1 0 382.785 2.903 20 0 GFADRO COCCCN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc(Cl)nc1Cl ZINC000289638602 563681414 /nfs/dbraw/zinc/68/14/14/563681414.db2.gz SGTPTDDEENRFKN-UHFFFAOYSA-N 1 0 396.340 2.510 20 0 GFADRO Cc1cc(Br)ccc1C[NH+]1CCC(C(=O)N2CCN(C)CC2)CC1 ZINC000289673681 563682988 /nfs/dbraw/zinc/68/29/88/563682988.db2.gz DPFWCFBJCOCWTC-UHFFFAOYSA-N 1 0 394.357 2.744 20 0 GFADRO COC(=O)[C@H]1CN(C(=O)N[C@@H](C)c2cc(Cl)ccc2Cl)CC[N@H+](C)C1 ZINC000413192316 563685224 /nfs/dbraw/zinc/68/52/24/563685224.db2.gz FHNDBBLKCHKHEW-NWDGAFQWSA-N 1 0 388.295 2.801 20 0 GFADRO COc1c(Cl)cc(Cl)cc1C[N@@H+]1CCC[C@H]1C[C@]1(C)NC(=O)NC1=O ZINC000289761951 563685543 /nfs/dbraw/zinc/68/55/43/563685543.db2.gz QYXQQHHVNLNHPI-SJCJKPOMSA-N 1 0 386.279 2.955 20 0 GFADRO CCCC[N@H+](C)C[C@H](C)NC(=O)c1cc(Cn2cc(Br)cn2)on1 ZINC000289834917 563688627 /nfs/dbraw/zinc/68/86/27/563688627.db2.gz UBDVZQLDNBFRGX-LBPRGKRZSA-N 1 0 398.305 2.532 20 0 GFADRO Cc1cc(C[N@@H+]2CCC[C@H]2C[C@]2(C)NC(=O)NC2=O)ccc1Br ZINC000289835645 563688842 /nfs/dbraw/zinc/68/88/42/563688842.db2.gz ULWRUCJHMDOAAN-GUYCJALGSA-N 1 0 380.286 2.710 20 0 GFADRO C[C@@]1(C[C@H]2CCC[N@@H+]2Cc2ccc(Br)c(F)c2)NC(=O)NC1=O ZINC000289950796 563692351 /nfs/dbraw/zinc/69/23/51/563692351.db2.gz YSBKZTZHABKDGK-BZNIZROVSA-N 1 0 384.249 2.541 20 0 GFADRO CC[N@@H+]1CC[C@@H](NC(=O)NCCc2c[nH]c3ccc(Br)cc23)C1 ZINC000413442057 563692658 /nfs/dbraw/zinc/69/26/58/563692658.db2.gz DKPPILFZUCQQNV-CQSZACIVSA-N 1 0 379.302 2.866 20 0 GFADRO CC[C@H](CCc1ccc(Br)cc1)[NH2+]CCCn1cc(CO)nn1 ZINC000290002404 563694399 /nfs/dbraw/zinc/69/43/99/563694399.db2.gz ZFGOUZAGLBFDDY-MRXNPFEDSA-N 1 0 381.318 2.924 20 0 GFADRO NC(=O)[C@H]([NH2+]C[C@@H]1CC(=O)Nc2ccccc21)c1ccc(Br)cc1 ZINC000361038019 563695851 /nfs/dbraw/zinc/69/58/51/563695851.db2.gz YCTANMDFFYOCSK-YVEFUNNKSA-N 1 0 388.265 2.691 20 0 GFADRO CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)c1ncncc1Br ZINC000361245621 563697801 /nfs/dbraw/zinc/69/78/01/563697801.db2.gz HRJZSJVYXUSOAM-UHFFFAOYSA-N 1 0 396.377 2.872 20 0 GFADRO O=S1(=O)CCC[C@@H](C[NH2+]Cc2nc(-c3ccc(Br)cc3)c[nH]2)C1 ZINC000290095371 563698118 /nfs/dbraw/zinc/69/81/18/563698118.db2.gz JXOFKCAGHWKQRQ-LBPRGKRZSA-N 1 0 398.326 2.754 20 0 GFADRO Cc1cc(CS(=O)(=O)NC[C@H]2CC[N@@H+](C)[C@H]2c2cccc(Cl)c2)no1 ZINC000361367537 563699044 /nfs/dbraw/zinc/69/90/44/563699044.db2.gz XGFOCZOBVHWIFM-PBHICJAKSA-N 1 0 383.901 2.749 20 0 GFADRO CSc1cc(Br)ccc1C[NH2+][C@H]1CCN(c2ccn(C)n2)C1=O ZINC000361786123 563701076 /nfs/dbraw/zinc/70/10/76/563701076.db2.gz WCLJKHYLFWBZEX-ZDUSSCGKSA-N 1 0 395.326 2.800 20 0 GFADRO Cc1cc(NC(=O)CN2CC[NH+]([C@H]3CCSC3)CC2)ccc1Br ZINC000361944378 563701849 /nfs/dbraw/zinc/70/18/49/563701849.db2.gz PJJZICGUKMNFRE-HNNXBMFYSA-N 1 0 398.370 2.819 20 0 GFADRO O=C1NC(=O)C2(CCC([NH2+][C@@H]3CCc4c3cccc4Br)CC2)N1 ZINC000362041300 563702930 /nfs/dbraw/zinc/70/29/30/563702930.db2.gz RPNZIXYJRXKRDK-FBUIMKQZSA-N 1 0 378.270 2.547 20 0 GFADRO CNS(=O)(=O)C1CC[NH+]([C@H]2CCCc3ccc(Br)cc32)CC1 ZINC000362013691 563703051 /nfs/dbraw/zinc/70/30/51/563703051.db2.gz QCSLFGMYZROPOV-INIZCTEOSA-N 1 0 387.343 2.840 20 0 GFADRO Cc1ccc(Br)c(C(=O)N2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)c1 ZINC000362065753 563703851 /nfs/dbraw/zinc/70/38/51/563703851.db2.gz LGTFYPFHDXGIPM-MAUKXSAKSA-N 1 0 394.357 2.856 20 0 GFADRO CC(C)(O)C[NH+]1CCN(C(=O)N[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)CC1 ZINC000438359483 563704509 /nfs/dbraw/zinc/70/45/09/563704509.db2.gz AESPNOWYNUXFIZ-XJKSGUPXSA-N 1 0 386.323 2.947 20 0 GFADRO C[C@H](C[NH2+]C[C@H]1CCC[C@@]12NC(=O)N(C)C2=O)c1cccc(Br)c1 ZINC000362407550 563707239 /nfs/dbraw/zinc/70/72/39/563707239.db2.gz KEYOCVMXNMYLRZ-RVZJWNSFSA-N 1 0 394.313 2.863 20 0 GFADRO CC[NH+](CC)CCN(Cc1cccs1)C(=O)NCC1([S@@](C)=O)CCC1 ZINC000438613874 563708076 /nfs/dbraw/zinc/70/80/76/563708076.db2.gz VMXBIQFVTMIFEX-RUZDIDTESA-N 1 0 385.599 2.903 20 0 GFADRO COc1ccsc1S(=O)(=O)N1C[C@@H]2C[N@H+](C)[C@@H](c3ccccc3)[C@@H]2C1 ZINC000362829898 563709320 /nfs/dbraw/zinc/70/93/20/563709320.db2.gz LHHDNFMMQOVMAL-UXLLHSPISA-N 1 0 378.519 2.680 20 0 GFADRO C[NH+](C)CCn1ccc(NC(=O)N2CCc3c(Cl)c(Cl)ccc3C2)n1 ZINC000438710127 563709491 /nfs/dbraw/zinc/70/94/91/563709491.db2.gz CHCWTCVTSWQWJB-UHFFFAOYSA-N 1 0 382.295 3.342 20 0 GFADRO Cc1ccc(C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1I ZINC000362810805 563709535 /nfs/dbraw/zinc/70/95/35/563709535.db2.gz IAWASVNYTPZKMC-UONOGXRCSA-N 1 0 384.261 2.956 20 0 GFADRO Brc1ccc(-c2c[nH]c(CNC[C@@H]3C[N@@H+]4CCC[C@H]4CO3)n2)cc1 ZINC000363001519 563711795 /nfs/dbraw/zinc/71/17/95/563711795.db2.gz UBVNJRWWTMAKHT-JKSUJKDBSA-N 1 0 391.313 2.792 20 0 GFADRO O=C([C@H]1CCCS1)N1CCCN(Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000363045859 563712399 /nfs/dbraw/zinc/71/23/99/563712399.db2.gz PIYZHGGISWSISR-MRXNPFEDSA-N 1 0 378.929 2.918 20 0 GFADRO C[N@@H+]1CC[C@@H](CNC(=O)c2cc(C(N)=O)cs2)[C@H]1c1cccc(Cl)c1 ZINC000363066218 563713579 /nfs/dbraw/zinc/71/35/79/563713579.db2.gz MHDCOQKKZXHVNV-BLLLJJGKSA-N 1 0 377.897 2.923 20 0 GFADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1cc2ccc(Br)cc2[nH]1 ZINC000363176054 563716603 /nfs/dbraw/zinc/71/66/03/563716603.db2.gz DXPOMRZBUVBYFW-UONOGXRCSA-N 1 0 378.270 2.523 20 0 GFADRO CCS(=O)(=O)N1CC(C[NH2+][C@H]2CCCc3ccc(Br)cc32)C1 ZINC000439140494 563718577 /nfs/dbraw/zinc/71/85/77/563718577.db2.gz JWRNCSDYFXJYOM-INIZCTEOSA-N 1 0 387.343 2.698 20 0 GFADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]CCN(C)Cc1ccc(F)cc1 ZINC000414087169 563718688 /nfs/dbraw/zinc/71/86/88/563718688.db2.gz BCWCDNUNLNLGHD-CQSZACIVSA-N 1 0 396.304 2.860 20 0 GFADRO CC(C)n1cc2c(n1)C[C@@H]([NH2+][C@H](C)Cn1cc(Br)ccc1=O)CC2 ZINC000414095395 563718784 /nfs/dbraw/zinc/71/87/84/563718784.db2.gz PJLZJYCYDSVGKL-CJNGLKHVSA-N 1 0 393.329 2.924 20 0 GFADRO C[C@@H]([NH2+]CCc1ccc(S(=O)(=O)N2CCCCC2)s1)c1ccn(C)n1 ZINC000414119980 563719711 /nfs/dbraw/zinc/71/97/11/563719711.db2.gz XCTLUFPHJVOSPB-CQSZACIVSA-N 1 0 382.555 2.550 20 0 GFADRO Cc1cccc2c1OC[C@H]([NH2+][C@@H](C)Cn1cc(Br)ccc1=O)C2 ZINC000414148602 563720880 /nfs/dbraw/zinc/72/08/80/563720880.db2.gz SWZZHDWVFUHYCO-XJKSGUPXSA-N 1 0 377.282 2.901 20 0 GFADRO COC(=O)CC1([NH2+]Cc2ccc(Cl)c(Cl)c2)CCS(=O)(=O)CC1 ZINC000439253010 563721420 /nfs/dbraw/zinc/72/14/20/563721420.db2.gz AHRJNTJHXQHKIF-UHFFFAOYSA-N 1 0 380.293 2.594 20 0 GFADRO OCC[N@H+](C[C@H](O)COc1ccc(Cl)cc1Br)C1CCC1 ZINC000439267811 563721640 /nfs/dbraw/zinc/72/16/40/563721640.db2.gz AWSOXZOJQQGIBL-ZDUSSCGKSA-N 1 0 378.694 2.689 20 0 GFADRO C[C@@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH2+]C[C@H]1CNC(=O)C1 ZINC000414188795 563721715 /nfs/dbraw/zinc/72/17/15/563721715.db2.gz DYXRISKJTJZULB-UWVGGRQHSA-N 1 0 377.794 2.802 20 0 GFADRO C[N@H+]1CC=C(CNCc2c(Br)cncc2Br)CC1 ZINC000290794911 563722293 /nfs/dbraw/zinc/72/22/93/563722293.db2.gz DMDJKZQGFHXLKF-UHFFFAOYSA-N 1 0 375.108 2.958 20 0 GFADRO COCC[N@@H+]1CCCN(C(=O)[C@@H]2C[C@@H]2c2ccc(Br)cc2)CC1 ZINC000363440612 563722982 /nfs/dbraw/zinc/72/29/82/563722982.db2.gz BKPLDWPBORREOC-IAGOWNOFSA-N 1 0 381.314 2.733 20 0 GFADRO Cc1nn(C)c(Cl)c1CN1CCCN(C(=O)c2cc(Cl)cn2C)CC1 ZINC000363503458 563724263 /nfs/dbraw/zinc/72/42/63/563724263.db2.gz GLGAUHUEEYLYKH-UHFFFAOYSA-N 1 0 384.311 2.722 20 0 GFADRO OCC[N@@H+](Cc1ccccc1)C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000439434417 563724515 /nfs/dbraw/zinc/72/45/15/563724515.db2.gz BPJCYGYFOMPSOM-QGZVFWFLSA-N 1 0 398.272 2.822 20 0 GFADRO CC[C@]1(CO)CCC[N@H+](C[C@@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000439437973 563724816 /nfs/dbraw/zinc/72/48/16/563724816.db2.gz CCBWHDDNSYMMAU-WBVHZDCISA-N 1 0 390.293 2.812 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+][C@@H](c2ccccc2)[C@H]2CCCO2)cc1Cl ZINC000414291554 563725482 /nfs/dbraw/zinc/72/54/82/563725482.db2.gz BEIWYDNPUUGXBN-AEFFLSMTSA-N 1 0 380.897 2.997 20 0 GFADRO C[C@@H](Cn1cc(Br)cn1)[NH2+][C@@H]1CCN(c2ccc(F)cc2)C1=O ZINC000414316060 563726265 /nfs/dbraw/zinc/72/62/65/563726265.db2.gz NLFVSVLKVMUAJB-XHDPSFHLSA-N 1 0 381.249 2.568 20 0 GFADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)[C@@H]1CCC[C@H](O)C1 ZINC000439474030 563726699 /nfs/dbraw/zinc/72/66/99/563726699.db2.gz WQQFJICLXAKJBX-WBVHZDCISA-N 1 0 383.330 2.890 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCC[C@@H](CO)C1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000414329575 563727031 /nfs/dbraw/zinc/72/70/31/563727031.db2.gz DKAOLXBYHNRWRV-HBNTYKKESA-N 1 0 381.325 2.843 20 0 GFADRO CCS(=O)(=O)CCC[NH2+][C@H](C)c1ccccc1I ZINC000414332129 563727112 /nfs/dbraw/zinc/72/71/12/563727112.db2.gz DQVVUTSZWJMUCK-LLVKDONJSA-N 1 0 381.279 2.767 20 0 GFADRO Cc1cc(NC(=O)N(CC[NH+](C)C)Cc2ccc(Br)cc2)nn1C ZINC000439491798 563727481 /nfs/dbraw/zinc/72/74/81/563727481.db2.gz IYUKAEXWYZENLS-UHFFFAOYSA-N 1 0 394.317 3.087 20 0 GFADRO COc1cccc(N2CC[C@H](C[NH2+]Cc3ccc(S(C)(=O)=O)s3)C2)c1 ZINC000414334663 563727822 /nfs/dbraw/zinc/72/78/22/563727822.db2.gz GDLJGKDEAMKLFR-CQSZACIVSA-N 1 0 380.535 2.776 20 0 GFADRO Cc1ccsc1CC[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000414361119 563729106 /nfs/dbraw/zinc/72/91/06/563729106.db2.gz BMPCJMVQKHPRAC-UHFFFAOYSA-N 1 0 389.340 2.799 20 0 GFADRO COC(=O)CCCN1CCC([NH2+][C@H](C)c2ccc(Br)cn2)CC1 ZINC000291025064 563729753 /nfs/dbraw/zinc/72/97/53/563729753.db2.gz HSJGZPVQNJXOSR-CYBMUJFWSA-N 1 0 384.318 2.912 20 0 GFADRO COc1ccc(CC[NH2+]Cc2ccc(S(N)(=O)=O)c(Cl)c2)c(Cl)c1 ZINC000414375103 563730787 /nfs/dbraw/zinc/73/07/87/563730787.db2.gz DONBRYVJBIISBX-UHFFFAOYSA-N 1 0 389.304 2.982 20 0 GFADRO CO[C@@](C)(C[NH2+][C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1)C1CC1 ZINC000291109277 563731271 /nfs/dbraw/zinc/73/12/71/563731271.db2.gz FIIVOEZSCDMSSZ-BONVTDFDSA-N 1 0 391.331 2.562 20 0 GFADRO C[C@H](O)C[C@@H](C[NH2+]Cc1ccc(S(N)(=O)=O)c(Cl)c1)c1ccccc1 ZINC000414384997 563732496 /nfs/dbraw/zinc/73/24/96/563732496.db2.gz WDSWBGHQGVBKDP-BBRMVZONSA-N 1 0 382.913 2.632 20 0 GFADRO COCCOCc1ccc(C[NH2+][C@H](C)Cn2cc(Br)cn2)cc1 ZINC000291147436 563733000 /nfs/dbraw/zinc/73/30/00/563733000.db2.gz IDFNVASXBUXDSQ-CQSZACIVSA-N 1 0 382.302 2.987 20 0 GFADRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NS(=O)(=O)c1cc2c(cc1Cl)OCCO2 ZINC000440070912 563735231 /nfs/dbraw/zinc/73/52/31/563735231.db2.gz KXGVPEMGHVGRFJ-STQMWFEESA-N 1 0 388.917 2.510 20 0 GFADRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NS(=O)(=O)c1ccc(Br)s1 ZINC000440079350 563735441 /nfs/dbraw/zinc/73/54/41/563735441.db2.gz XKHVFDSUWXCSIX-WDEREUQCSA-N 1 0 381.361 2.909 20 0 GFADRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NS(=O)(=O)c1ccccc1OC(F)(F)F ZINC000440085425 563736053 /nfs/dbraw/zinc/73/60/53/563736053.db2.gz APJVBKZEBUTKBQ-OLZOCXBDSA-N 1 0 380.432 2.984 20 0 GFADRO Cc1cc(S(=O)(=O)N[C@H](C)[C@@H]2CCC[NH2+]C2)c(C)cc1Br ZINC000440355412 563740084 /nfs/dbraw/zinc/74/00/84/563740084.db2.gz MUICTORDTDFHRH-CHWSQXEVSA-N 1 0 375.332 2.732 20 0 GFADRO O=C(c1ccc(Br)cc1O)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000364055818 563741532 /nfs/dbraw/zinc/74/15/32/563741532.db2.gz NJQMWJLYRCBZIT-UHFFFAOYSA-N 1 0 397.313 2.729 20 0 GFADRO Cc1ccc(Cl)c(S(=O)(=O)N2CCC(OCCC[NH3+])CC2)c1Cl ZINC000440414700 563741751 /nfs/dbraw/zinc/74/17/51/563741751.db2.gz KBEAXTYXHUWNEQ-UHFFFAOYSA-N 1 0 381.325 2.820 20 0 GFADRO COC(=O)c1cc(Br)cc(C(=O)N2CC[C@@H]([NH+]3CCCC3)[C@H]2C)c1 ZINC000291434481 563742891 /nfs/dbraw/zinc/74/28/91/563742891.db2.gz JVWMYACVAWMEHP-MLGOLLRUSA-N 1 0 395.297 2.935 20 0 GFADRO CCc1ncc(C[NH2+]C[C@H](CO)Cc2cc(Br)ccc2F)cn1 ZINC000414475466 563743447 /nfs/dbraw/zinc/74/34/47/563743447.db2.gz XOXHBDKJFFYDRN-GFCCVEGCSA-N 1 0 382.277 2.881 20 0 GFADRO O=C(NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cccc(Br)c1 ZINC000440525977 563743690 /nfs/dbraw/zinc/74/36/90/563743690.db2.gz WGDQXUDTZBDUFX-LJQANCHMSA-N 1 0 389.293 2.816 20 0 GFADRO CCOc1cc(C[N@@H+]2CC[C@@H](C(=O)N(C)C)C2)cc(Br)c1OC ZINC000414497998 563744494 /nfs/dbraw/zinc/74/44/94/563744494.db2.gz LXAISOFCUYGKEV-CYBMUJFWSA-N 1 0 385.302 2.767 20 0 GFADRO O=C(NC[C@H]1CCC[NH2+]1)[C@@H]1CCCN1c1ncc(C(F)(F)F)cc1Cl ZINC000364145240 563744668 /nfs/dbraw/zinc/74/46/68/563744668.db2.gz XIYJXMWKPAJGBD-YPMHNXCESA-N 1 0 376.810 2.591 20 0 GFADRO OC[C@@H]([NH2+]C1CCN(Cc2ccccc2Br)CC1)[C@H]1CCCOC1 ZINC000414542141 563745919 /nfs/dbraw/zinc/74/59/19/563745919.db2.gz DDCBTXQSLBUSHP-QFBILLFUSA-N 1 0 397.357 2.791 20 0 GFADRO Cc1cc(CCC(=O)N2CCC[N@@H+]([C@H](C)CO)CC2)ccc1Br ZINC000364210735 563746033 /nfs/dbraw/zinc/74/60/33/563746033.db2.gz FQZPXCMGTFSMNI-OAHLLOKOSA-N 1 0 383.330 2.605 20 0 GFADRO CS[C@@H]1CN(C(=O)c2cc(Cl)ncc2Br)C[C@H]1[NH+](C)C ZINC000291528331 563746488 /nfs/dbraw/zinc/74/64/88/563746488.db2.gz VTVVKOSRUNPMOJ-GHMZBOCLSA-N 1 0 378.723 2.615 20 0 GFADRO COc1cc(C(=O)N2CC[C@]3(CCC[C@H]3[NH3+])C2)cc(OC)c1Br ZINC000364255255 563747626 /nfs/dbraw/zinc/74/76/26/563747626.db2.gz IXPUUFSTTKPCEG-RHSMWYFYSA-N 1 0 383.286 2.810 20 0 GFADRO [NH3+][C@H]1CCC[C@]12CCN(C(=O)c1cnn(-c3ccc(Br)cc3)c1)C2 ZINC000364257378 563747708 /nfs/dbraw/zinc/74/77/08/563747708.db2.gz MRGRLJQAJWQKKO-FUHWJXTLSA-N 1 0 389.297 2.978 20 0 GFADRO OC[C@H]1CCC[C@H]([NH2+]Cc2ccc(Br)cc2N2CCOCC2)C1 ZINC000414579932 563747726 /nfs/dbraw/zinc/74/77/26/563747726.db2.gz QGYFPBACDVXXGK-YOEHRIQHSA-N 1 0 383.330 2.926 20 0 GFADRO C[N@H+]1C[C@H]2CN(Cc3c(Br)cncc3Br)C[C@H]2C1 ZINC000291585614 563748635 /nfs/dbraw/zinc/74/86/35/563748635.db2.gz PHMTVSHDNCVKFQ-AOOOYVTPSA-N 1 0 375.108 2.600 20 0 GFADRO C[C@H](NS(=O)(=O)c1cc(Cl)c(Br)cc1F)[C@@H]1CCC[NH2+]C1 ZINC000440733690 563748965 /nfs/dbraw/zinc/74/89/65/563748965.db2.gz KJCNGNLQIJXWIE-DTWKUNHWSA-N 1 0 399.713 2.908 20 0 GFADRO Cc1cc(I)ccc1NC(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000414679149 563749911 /nfs/dbraw/zinc/74/99/11/563749911.db2.gz LFFRQXOVSLPVEM-BXUZGUMPSA-N 1 0 385.249 2.815 20 0 GFADRO O=C(Nc1ccc(I)cc1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000414675877 563750010 /nfs/dbraw/zinc/75/00/10/563750010.db2.gz GVLJJEOVJAGWFL-TXEJJXNPSA-N 1 0 385.249 2.755 20 0 GFADRO O=C1[C@@H]([NH2+][C@H]2CCc3c2cccc3Br)CCN1C1CCOCC1 ZINC000364346975 563750643 /nfs/dbraw/zinc/75/06/43/563750643.db2.gz PBCRMROJXJWJNN-IRXDYDNUSA-N 1 0 379.298 2.806 20 0 GFADRO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)Nc1nnc(SCc2ccccc2)s1 ZINC000414707614 563750733 /nfs/dbraw/zinc/75/07/33/563750733.db2.gz MVYXMXYBZBJSJW-KGLIPLIRSA-N 1 0 377.539 3.469 20 0 GFADRO Cc1cc(S(=O)(=O)NC[C@]2(C)CCC[NH2+]C2)c(C)cc1Br ZINC000440835052 563750875 /nfs/dbraw/zinc/75/08/75/563750875.db2.gz BYVYJROCLRCLPT-OAHLLOKOSA-N 1 0 375.332 2.734 20 0 GFADRO Cc1cc(Br)c(S(=O)(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)s1 ZINC000440831764 563750988 /nfs/dbraw/zinc/75/09/88/563750988.db2.gz GSMZLZWSAMTEHZ-ZDUSSCGKSA-N 1 0 393.372 2.972 20 0 GFADRO C[C@@H]1CCN(C(=O)Nc2nnc(SCc3ccccc3)s2)C[C@@H]1C[NH3+] ZINC000414714834 563751102 /nfs/dbraw/zinc/75/11/02/563751102.db2.gz VXMPVITYWRWZGC-OCCSQVGLSA-N 1 0 377.539 3.279 20 0 GFADRO C[NH2+]CCC1CCN(S(=O)(=O)c2cccc(C)c2Br)CC1 ZINC000440828271 563751211 /nfs/dbraw/zinc/75/12/11/563751211.db2.gz BHUWZKLOCDVEJA-UHFFFAOYSA-N 1 0 375.332 2.768 20 0 GFADRO CN(C[C@@H](O)C[NH3+])C(=O)Nc1ncc(Cc2cccc(Cl)c2Cl)s1 ZINC000414745466 563751925 /nfs/dbraw/zinc/75/19/25/563751925.db2.gz XZLWTDVALQZWCI-JTQLQIEISA-N 1 0 389.308 2.824 20 0 GFADRO Cc1cc(F)c(Br)cc1S(=O)(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000440859975 563752396 /nfs/dbraw/zinc/75/23/96/563752396.db2.gz DOLLOASYGBLRBR-UHFFFAOYSA-N 1 0 391.306 2.661 20 0 GFADRO CCN(CC)C(=O)c1ccc(NC(=O)N[C@@H](CC[NH3+])C(F)F)cc1Cl ZINC000414809931 563753567 /nfs/dbraw/zinc/75/35/67/563753567.db2.gz UWFGEIGQLWOPLG-ZDUSSCGKSA-N 1 0 376.835 2.926 20 0 GFADRO C[NH+]1CCC(CC(=O)N[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)CC1 ZINC000291682368 563753626 /nfs/dbraw/zinc/75/36/26/563753626.db2.gz MYXXAXJKDWAUKX-INIZCTEOSA-N 1 0 384.307 2.947 20 0 GFADRO COCC1(CNC(=O)Nc2cc(Br)ccc2OC)CC[NH2+]CC1 ZINC000414988065 563756477 /nfs/dbraw/zinc/75/64/77/563756477.db2.gz LBHQOYALLHQYNT-UHFFFAOYSA-N 1 0 386.290 2.595 20 0 GFADRO COCCn1cc(C[NH2+][C@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)cn1 ZINC000364547767 563756706 /nfs/dbraw/zinc/75/67/06/563756706.db2.gz YFIRZPSDACZOBQ-HNNXBMFYSA-N 1 0 383.279 2.731 20 0 GFADRO COc1cc(CN[C@H](C[NH3+])C(C)(C)C)cc(I)c1OC ZINC000415057393 563757653 /nfs/dbraw/zinc/75/76/53/563757653.db2.gz SLBRYICWTMTGMZ-CYBMUJFWSA-N 1 0 392.281 2.771 20 0 GFADRO CCCC[C@H](C[NH3+])NC(=O)Nc1cc(OC)ccc1I ZINC000415069103 563757859 /nfs/dbraw/zinc/75/78/59/563757859.db2.gz FYGGKSHMBOAOSE-SNVBAGLBSA-N 1 0 391.253 2.939 20 0 GFADRO CC(C)(C)c1ncc(C[NH2+]CCNS(=O)(=O)c2ccc(F)cc2F)s1 ZINC000441337202 563758299 /nfs/dbraw/zinc/75/82/99/563758299.db2.gz UHFXDDAOXAJEGN-UHFFFAOYSA-N 1 0 389.493 2.787 20 0 GFADRO O=S(=O)(NCC[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1)c1ccc(F)cc1F ZINC000441338114 563758373 /nfs/dbraw/zinc/75/83/73/563758373.db2.gz RZSXWLVSVRJYPZ-ZYHUDNBSSA-N 1 0 386.386 2.954 20 0 GFADRO COc1ccc(I)c(NC(=O)N[C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000415078853 563758653 /nfs/dbraw/zinc/75/86/53/563758653.db2.gz WEWNCBBHYMRKAE-ZJUUUORDSA-N 1 0 389.237 2.691 20 0 GFADRO O=C(CC[C@H]1CCC[NH2+]1)N1CCN(C(=O)c2cccc(Cl)c2Cl)CC1 ZINC000291795226 563758903 /nfs/dbraw/zinc/75/89/03/563758903.db2.gz PFUMVXFOIFLNCS-CYBMUJFWSA-N 1 0 384.307 2.810 20 0 GFADRO COc1ccc(S(=O)(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)c(Cl)c1Cl ZINC000291819150 563760125 /nfs/dbraw/zinc/76/01/25/563760125.db2.gz DXBNAAOYZLGHTG-HNNXBMFYSA-N 1 0 379.309 2.718 20 0 GFADRO CC(C)([NH3+])CNC(=O)Nc1cc(Br)cnc1OCC(F)(F)F ZINC000415179355 563761871 /nfs/dbraw/zinc/76/18/71/563761871.db2.gz UIHFEXKFZKSODO-UHFFFAOYSA-N 1 0 385.184 2.644 20 0 GFADRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)Nc1ccc(CCn2cc(Br)cn2)cc1 ZINC000415209386 563762420 /nfs/dbraw/zinc/76/24/20/563762420.db2.gz IVZQJYWBYRZZTP-LRDDRELGSA-N 1 0 392.301 2.842 20 0 GFADRO CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1([NH3+])C(=O)N1CCc2cc(Br)ccc21 ZINC000364728562 563762687 /nfs/dbraw/zinc/76/26/87/563762687.db2.gz BPPUWCKMVHVERP-JCKWVBRZSA-N 1 0 379.298 2.871 20 0 GFADRO O=C(NCC1C[NH2+]C1)Nc1ccc(Cl)c(C(=O)NCc2cccs2)c1 ZINC000415252123 563764023 /nfs/dbraw/zinc/76/40/23/563764023.db2.gz DPPPGMFCJCLSFQ-UHFFFAOYSA-N 1 0 378.885 2.672 20 0 GFADRO [NH3+]C[C@@H]1CCCCN1C(=O)Nc1ccc(F)cc1I ZINC000415254462 563764289 /nfs/dbraw/zinc/76/42/89/563764289.db2.gz SKCADYPKOAZHAU-JTQLQIEISA-N 1 0 377.201 2.775 20 0 GFADRO C[NH2+][C@@H]1CCN(C(=O)Nc2ccc(Cl)cc2I)C1 ZINC000415279875 563765601 /nfs/dbraw/zinc/76/56/01/563765601.db2.gz FGEIKKQGEPBCKA-SECBINFHSA-N 1 0 379.629 2.770 20 0 GFADRO CC[NH2+]CCNC(=O)Nc1cccc(Oc2ncc(Br)cn2)c1 ZINC000415296874 563765951 /nfs/dbraw/zinc/76/59/51/563765951.db2.gz CTYDSNIAUFTRMC-UHFFFAOYSA-N 1 0 380.246 2.762 20 0 GFADRO C[C@H](C[NH3+])N(C)C(=O)Nc1cccc(Oc2ncc(Br)cn2)c1 ZINC000415304631 563766125 /nfs/dbraw/zinc/76/61/25/563766125.db2.gz QIUAQSMDUMUDFH-SNVBAGLBSA-N 1 0 380.246 2.842 20 0 GFADRO C[C@@H]1[C@@H](NC(=O)c2c[nH]c(=O)c(Br)c2)CC[N@@H+]1Cc1ccccc1 ZINC000291964600 563767078 /nfs/dbraw/zinc/76/70/78/563767078.db2.gz WXCMKAJPDMPWEX-WBMJQRKESA-N 1 0 390.281 2.943 20 0 GFADRO CN(C(=O)C(=O)Nc1ccc(Br)c2ccccc12)C1CC[NH2+]CC1 ZINC000415331247 563767371 /nfs/dbraw/zinc/76/73/71/563767371.db2.gz SENOGDYJRPMHJE-UHFFFAOYSA-N 1 0 390.281 2.751 20 0 GFADRO COC(=O)c1cc(Br)ccc1NC(=O)N1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000415337609 563768147 /nfs/dbraw/zinc/76/81/47/563768147.db2.gz USWODMANMJFRHG-HZMBPMFUSA-N 1 0 384.274 2.827 20 0 GFADRO C[NH2+]CC1CCN(C(=O)Nc2ccc(Br)cc2C(=O)OC)CC1 ZINC000415338508 563768178 /nfs/dbraw/zinc/76/81/78/563768178.db2.gz WNGHEJQIMZDCRO-UHFFFAOYSA-N 1 0 384.274 2.699 20 0 GFADRO [NH3+][C@H]1CN(S(=O)(=O)c2c(Cl)ccnc2Cl)C[C@H]1c1ccc(F)cc1 ZINC000364916175 563768434 /nfs/dbraw/zinc/76/84/34/563768434.db2.gz PCXIUHPZWBSRDF-AAEUAGOBSA-N 1 0 390.267 2.643 20 0 GFADRO C[C@@H](CO)[N@@H+]1CCCN(Cc2nc(-c3cccc(Br)c3)c[nH]2)CC1 ZINC000364915728 563768818 /nfs/dbraw/zinc/76/88/18/563768818.db2.gz AQRKPPSJABBIQH-AWEZNQCLSA-N 1 0 393.329 2.728 20 0 GFADRO CCOC(=O)c1cc(Br)ccc1NC(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000415351369 563769423 /nfs/dbraw/zinc/76/94/23/563769423.db2.gz NXQHPJLTMFKZLT-PWSUYJOCSA-N 1 0 384.274 2.875 20 0 GFADRO CCOC(=O)c1cc(Br)ccc1NC(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000415357986 563769928 /nfs/dbraw/zinc/76/99/28/563769928.db2.gz WQPKWPANZXOZIP-MRXNPFEDSA-N 1 0 384.274 2.828 20 0 GFADRO [NH3+]C1CCC(NC(=O)C(=O)Nc2cc(F)ccc2SCC(F)F)CC1 ZINC000415356738 563770197 /nfs/dbraw/zinc/77/01/97/563770197.db2.gz PAORQSOIRGFVPV-UHFFFAOYSA-N 1 0 375.416 2.508 20 0 GFADRO CC(C)(C)[C@H](C[NH3+])NC(=O)Nc1cccc(F)c1I ZINC000415364851 563771312 /nfs/dbraw/zinc/77/13/12/563771312.db2.gz SWZLCLAPRZNERM-JTQLQIEISA-N 1 0 379.217 2.925 20 0 GFADRO Cc1cc(F)c(NC(=O)N[C@](C)(C[NH3+])C2CC2)c(I)c1 ZINC000415391383 563771940 /nfs/dbraw/zinc/77/19/40/563771940.db2.gz LNWIYCRZJAUXRZ-CQSZACIVSA-N 1 0 391.228 2.988 20 0 GFADRO C[N@@H+]1CC[C@@]2(CCN([C@@H]3CCN(c4cccc(Br)c4)C3=O)C2)C1 ZINC000292060710 563772017 /nfs/dbraw/zinc/77/20/17/563772017.db2.gz COAHSDQCGUUISB-SJLPKXTDSA-N 1 0 378.314 2.582 20 0 GFADRO Cc1cc(F)c(NC(=O)N2CCC(C[NH3+])CC2)c(I)c1 ZINC000415384999 563772105 /nfs/dbraw/zinc/77/21/05/563772105.db2.gz AMIIWNPCKRGOCM-UHFFFAOYSA-N 1 0 391.228 2.941 20 0 GFADRO C[C@@H]([NH3+])C1CCN(C(=O)C(=O)Nc2ccc(C(F)(F)F)cc2Cl)CC1 ZINC000415390469 563772119 /nfs/dbraw/zinc/77/21/19/563772119.db2.gz UWPAFOCCIIPNHD-SECBINFHSA-N 1 0 377.794 2.883 20 0 GFADRO CCCN(C(=O)C(=O)Nc1cc(C(F)(F)F)ccc1Cl)[C@@H]1CC[NH2+]C1 ZINC000415399413 563772753 /nfs/dbraw/zinc/77/27/53/563772753.db2.gz YBBXIZCKFRBQHE-LLVKDONJSA-N 1 0 377.794 2.898 20 0 GFADRO COC(=O)c1cc(NC(=O)N[C@H](C[NH3+])C2CCCC2)ccc1Br ZINC000415403706 563773003 /nfs/dbraw/zinc/77/30/03/563773003.db2.gz KSILNNATDZAVAK-CQSZACIVSA-N 1 0 384.274 2.875 20 0 GFADRO Cc1cc(S(=O)(=O)N2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)sc1Cl ZINC000365084052 563773503 /nfs/dbraw/zinc/77/35/03/563773503.db2.gz NOYYPGYHIWDHAT-YNEHKIRRSA-N 1 0 378.947 2.582 20 0 GFADRO COCCOc1ccc(Br)cc1NC(=O)N1CCC(C[NH3+])CC1 ZINC000415422405 563774155 /nfs/dbraw/zinc/77/41/55/563774155.db2.gz DRRFEABDZIEOID-UHFFFAOYSA-N 1 0 386.290 2.677 20 0 GFADRO CN1CC[NH+](C[C@@H]2CCCN(C(=O)c3ccc(F)cc3Br)C2)CC1 ZINC000365114188 563774501 /nfs/dbraw/zinc/77/45/01/563774501.db2.gz CUXTXPWXEACFAM-AWEZNQCLSA-N 1 0 398.320 2.688 20 0 GFADRO COCCOc1ccc(Br)cc1NC(=O)N(C)CC(C)(C)C[NH3+] ZINC000415426236 563774935 /nfs/dbraw/zinc/77/49/35/563774935.db2.gz MSIYHBPGIRFXGT-UHFFFAOYSA-N 1 0 388.306 2.923 20 0 GFADRO COCCOc1ccc(Br)cc1NC(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000415425941 563775146 /nfs/dbraw/zinc/77/51/46/563775146.db2.gz MEEYCNMCKVGCND-QWHCGFSZSA-N 1 0 386.290 2.866 20 0 GFADRO CC(C)c1cc(Br)ccc1NC(=O)C(=O)N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000415432938 563775716 /nfs/dbraw/zinc/77/57/16/563775716.db2.gz HQWWJJXRDGTKLC-RISCZKNCSA-N 1 0 382.302 2.707 20 0 GFADRO O=C(Nc1ccc(F)c(Br)c1)C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000415449737 563776222 /nfs/dbraw/zinc/77/62/22/563776222.db2.gz LHPRQIFFDSHLPR-UHFFFAOYSA-N 1 0 398.276 2.517 20 0 GFADRO CC(C)[C@H]([NH3+])CNC(=O)C(=O)Nc1ccc(Br)c(Cl)c1Cl ZINC000415441871 563776230 /nfs/dbraw/zinc/77/62/30/563776230.db2.gz PKOPHKQUMCAEHH-MRVPVSSYSA-N 1 0 397.100 2.794 20 0 GFADRO C[C@@]1(CNC(=O)Nc2ccc(S(C)(=O)=O)c(C(F)F)c2)CCC[NH2+]C1 ZINC000415447228 563776252 /nfs/dbraw/zinc/77/62/52/563776252.db2.gz XBWWMNXZLWJISM-MRXNPFEDSA-N 1 0 375.441 2.539 20 0 GFADRO CCOCCOc1ccc(Br)cc1NC(=O)NC[C@H]([NH3+])C1CC1 ZINC000415466013 563777522 /nfs/dbraw/zinc/77/75/22/563777522.db2.gz STCQAIWDUROLND-ZDUSSCGKSA-N 1 0 386.290 2.723 20 0 GFADRO Cc1cc(Br)cc(Cl)c1NC(=O)C(=O)N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000415469666 563777621 /nfs/dbraw/zinc/77/76/21/563777621.db2.gz XFGXOVIHDDZVKT-SKDRFNHKSA-N 1 0 388.693 2.545 20 0 GFADRO O=CN1CCC([NH2+][C@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)CC1 ZINC000365206865 563777698 /nfs/dbraw/zinc/77/76/98/563777698.db2.gz WYTHVWWKOBPMLK-ZDUSSCGKSA-N 1 0 376.810 2.543 20 0 GFADRO CCC([NH3+])(CC)CNC(=O)C(=O)Nc1cc(Cl)ccc1Br ZINC000415478035 563778468 /nfs/dbraw/zinc/77/84/68/563778468.db2.gz YISOHHMKRWGIDH-UHFFFAOYSA-N 1 0 376.682 2.675 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N(C)CC[C@@H]([NH3+])C(C)C)cc1Br ZINC000415492663 563778826 /nfs/dbraw/zinc/77/88/26/563778826.db2.gz TYKNNXDBJNFCDX-CQSZACIVSA-N 1 0 384.318 2.836 20 0 GFADRO O=C1[C@H]2CN(Cc3ccc(Br)o3)CCN2C(=O)N1c1ccccc1 ZINC000365267620 563779514 /nfs/dbraw/zinc/77/95/14/563779514.db2.gz YFDGKZKUTREMCQ-CQSZACIVSA-N 1 0 390.237 2.695 20 0 GFADRO CCCN(C(=O)C(=O)Nc1c(C)cc(C)cc1Br)C1CC[NH2+]CC1 ZINC000415495677 563779871 /nfs/dbraw/zinc/77/98/71/563779871.db2.gz FTXHGHDQMVAPBH-UHFFFAOYSA-N 1 0 396.329 2.995 20 0 GFADRO CCCC[C@@H](C[NH3+])NC(=O)C(=O)Nc1cccc(Cl)c1OCC(F)F ZINC000415503795 563780155 /nfs/dbraw/zinc/78/01/55/563780155.db2.gz VINPEEJPKALRRJ-JTQLQIEISA-N 1 0 377.819 2.556 20 0 GFADRO CCCC[C@@H](C[NH3+])NC(=O)C(=O)Nc1cccc(Cl)c1Br ZINC000415508383 563780286 /nfs/dbraw/zinc/78/02/86/563780286.db2.gz XVMNNUUMDPFSAT-VIFPVBQESA-N 1 0 376.682 2.675 20 0 GFADRO C[C@H](c1ccccc1)[C@H]([NH2+]C[C@H](O)c1ccc(Br)cc1)C(N)=O ZINC000292282806 563781639 /nfs/dbraw/zinc/78/16/39/563781639.db2.gz SXJQWHKRQVERNS-DQYPLSBCSA-N 1 0 377.282 2.730 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)Nc2ccnn2Cc2ccccc2Br)CC[NH2+]1 ZINC000415525747 563781939 /nfs/dbraw/zinc/78/19/39/563781939.db2.gz XAKQMLSZHPRAEZ-OCCSQVGLSA-N 1 0 392.301 2.956 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)Nc2ccnn2Cc2ccccc2Br)C1 ZINC000415523885 563781951 /nfs/dbraw/zinc/78/19/51/563781951.db2.gz RMFITSJTJDWLNU-QWHCGFSZSA-N 1 0 392.301 2.895 20 0 GFADRO C[C@H](c1ccccc1)[C@H]([NH2+]C[C@@H](O)c1ccc(F)c(Br)c1)C(N)=O ZINC000292312404 563782294 /nfs/dbraw/zinc/78/22/94/563782294.db2.gz VLDOERZMIJXHIG-LQAWEQHXSA-N 1 0 395.272 2.869 20 0 GFADRO Cc1nc(C)c([C@H](C)[NH2+]CCNS(=O)(=O)c2ccc(F)cc2F)s1 ZINC000442871839 563782309 /nfs/dbraw/zinc/78/23/09/563782309.db2.gz HERGJNVSRHAXNQ-VIFPVBQESA-N 1 0 375.466 2.667 20 0 GFADRO COc1cc(OC)c(NC(=O)N2CC[C@H](C)[C@@H](C[NH3+])C2)cc1Br ZINC000415527459 563782580 /nfs/dbraw/zinc/78/25/80/563782580.db2.gz IZCPQIBFTUPMHH-QWRGUYRKSA-N 1 0 386.290 2.915 20 0 GFADRO CC(C)[C@H]([NH3+])CNC(=O)Nc1ccnn1Cc1ccccc1Br ZINC000415526419 563782694 /nfs/dbraw/zinc/78/26/94/563782694.db2.gz ZKZOKSNODSHZFU-CQSZACIVSA-N 1 0 380.290 2.799 20 0 GFADRO O=C(Cc1cccc(I)c1)NC1CC([NH+]2CCCCC2)C1 ZINC000365423408 563783054 /nfs/dbraw/zinc/78/30/54/563783054.db2.gz JGYCILMDBGGWMT-UHFFFAOYSA-N 1 0 398.288 2.967 20 0 GFADRO Cc1sc(Br)c(C(=O)NC2(CCO)CC[NH+](C)CC2)c1C ZINC000442891939 563783120 /nfs/dbraw/zinc/78/31/20/563783120.db2.gz LSUZHAXCGRZDBM-UHFFFAOYSA-N 1 0 375.332 2.704 20 0 GFADRO C[C@@H]([NH3+])[C@@H](C)NC(=O)Nc1nc2ccc(I)cc2s1 ZINC000415532732 563783298 /nfs/dbraw/zinc/78/32/98/563783298.db2.gz ZZMKBQSBBWZEMK-RNFRBKRXSA-N 1 0 390.250 2.758 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000415531997 563783324 /nfs/dbraw/zinc/78/33/24/563783324.db2.gz ZBLLEVRVRZEGJB-MRXNPFEDSA-N 1 0 394.313 2.687 20 0 GFADRO [NH3+]CC1CCN(C(=O)Nc2ccnn2Cc2ccc(Br)cc2)CC1 ZINC000415535052 563783362 /nfs/dbraw/zinc/78/33/62/563783362.db2.gz WIZZDNFOUAOSJE-UHFFFAOYSA-N 1 0 392.301 2.897 20 0 GFADRO Cc1c(Br)cccc1NC(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000415539466 563783612 /nfs/dbraw/zinc/78/36/12/563783612.db2.gz KBFUNHOUZIXPIN-INIZCTEOSA-N 1 0 394.313 2.687 20 0 GFADRO CCOc1ccc(NC(=O)N2CC[C@@H](OC)C[C@@H]2C[NH3+])cc1Br ZINC000415540183 563783988 /nfs/dbraw/zinc/78/39/88/563783988.db2.gz XUMJLIFMYXIXAC-CHWSQXEVSA-N 1 0 386.290 2.818 20 0 GFADRO CC(C)n1nccc1NC(=O)[C@H](C)[NH2+][C@@H](CO)c1ccc(Br)cc1 ZINC000292383229 563784162 /nfs/dbraw/zinc/78/41/62/563784162.db2.gz ZHZFEKNMPFMNGI-WFASDCNBSA-N 1 0 395.301 2.877 20 0 GFADRO C[C@H]1CN(C(=O)C(=O)Nc2cccnc2-c2ccc(Cl)s2)[C@@H](C)C[NH2+]1 ZINC000415550516 563784424 /nfs/dbraw/zinc/78/44/24/563784424.db2.gz COIXEQZGKYDTHW-QWRGUYRKSA-N 1 0 378.885 2.611 20 0 GFADRO [NH3+]C1(CNC(=O)C(=O)Nc2cccc(Cl)c2SCC(F)F)CCC1 ZINC000415561777 563784563 /nfs/dbraw/zinc/78/45/63/563784563.db2.gz OKLPLVXOHHDQEI-UHFFFAOYSA-N 1 0 377.844 2.633 20 0 GFADRO C[C@@]1(CNC(=O)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CCC[NH2+]C1 ZINC000415570408 563784958 /nfs/dbraw/zinc/78/49/58/563784958.db2.gz LKNXFDOVOYCICE-OAHLLOKOSA-N 1 0 377.794 2.803 20 0 GFADRO Cc1ccc(-c2csc(NC(=O)C(=O)NC[C@@]3(C)CCC[NH2+]C3)n2)s1 ZINC000415584814 563785810 /nfs/dbraw/zinc/78/58/10/563785810.db2.gz UAYDSIPSYLJZLF-KRWDZBQOSA-N 1 0 378.523 2.624 20 0 GFADRO COC(=O)c1c(Br)ccc(NC(=O)NC[C@@H]2CCC[NH2+]C2)c1C ZINC000415591338 563785823 /nfs/dbraw/zinc/78/58/23/563785823.db2.gz AMGGTBBMPFGSHD-LLVKDONJSA-N 1 0 384.274 2.665 20 0 GFADRO COc1ccc(NC(=O)N[C@](C)(C[NH3+])C(C)C)c(I)c1 ZINC000415590595 563785851 /nfs/dbraw/zinc/78/58/51/563785851.db2.gz BBGADAFFRKFGRP-CQSZACIVSA-N 1 0 391.253 2.795 20 0 GFADRO O=S(=O)(c1ccccc1Br)N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000365539208 563785955 /nfs/dbraw/zinc/78/59/55/563785955.db2.gz PDHKBFLEXRUCOL-GUTXKFCHSA-N 1 0 385.327 2.554 20 0 GFADRO COC(=O)c1c(Br)ccc(NC(=O)N2C[C@H](C)[NH2+]C[C@@H]2C)c1C ZINC000415599043 563787086 /nfs/dbraw/zinc/78/70/86/563787086.db2.gz LVAKZQDAFFVSHO-UWVGGRQHSA-N 1 0 384.274 2.758 20 0 GFADRO C[NH2+]C[C@@H]1CCN(C(=O)Nc2ccc(Br)c(C(=O)OC)c2C)C1 ZINC000415606770 563787488 /nfs/dbraw/zinc/78/74/88/563787488.db2.gz ZATXJDQXJWBPHJ-NSHDSACASA-N 1 0 384.274 2.617 20 0 GFADRO COC(=O)c1cccc(NC(=O)N[C@H]2CCCC[C@H]2C[NH3+])c1Br ZINC000415614961 563788000 /nfs/dbraw/zinc/78/80/00/563788000.db2.gz PYAMBAVRRXRGRQ-JQWIXIFHSA-N 1 0 384.274 2.875 20 0 GFADRO CC(C)c1cc(Br)ccc1NC(=O)C(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000415610719 563788159 /nfs/dbraw/zinc/78/81/59/563788159.db2.gz IQZNYVUGXMNKJJ-ABAIWWIYSA-N 1 0 382.302 2.625 20 0 GFADRO COC(=O)c1cc(NC(=O)N2CC[C@H]([NH3+])[C@@H](C)C2)cc(Br)c1F ZINC000415616627 563788231 /nfs/dbraw/zinc/78/82/31/563788231.db2.gz UHTXIHVJLVNRML-UFBFGSQYSA-N 1 0 388.237 2.576 20 0 GFADRO COC(=O)c1cc(F)c(Br)cc1NC(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000415630282 563788641 /nfs/dbraw/zinc/78/86/41/563788641.db2.gz DDBFHBLHJYHTDY-HNNXBMFYSA-N 1 0 388.237 2.577 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)N[C@@H](c2ccc(F)c(Cl)c2)C(F)(F)F)CCCO1 ZINC000415621093 563788695 /nfs/dbraw/zinc/78/86/95/563788695.db2.gz VSCKOTBUEVUUHV-MFKMUULPSA-N 1 0 383.773 2.842 20 0 GFADRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)Nc1cccc(Cl)c1SCC(F)F ZINC000415621949 563788724 /nfs/dbraw/zinc/78/87/24/563788724.db2.gz KIJZAMWPPSLGDZ-JOYOIKCWSA-N 1 0 391.871 2.750 20 0 GFADRO C[C@H](CCC[NH3+])NC(=O)Nc1ccc(-c2ccc(Br)s2)nn1 ZINC000415640517 563790176 /nfs/dbraw/zinc/79/01/76/563790176.db2.gz VPNQCIZBFGAXQE-SECBINFHSA-N 1 0 384.303 3.217 20 0 GFADRO CC(C)[C@H]1C[C@H]([NH2+]CCNS(=O)(=O)c2ccc(Cl)cc2F)CS1 ZINC000443064546 563790280 /nfs/dbraw/zinc/79/02/80/563790280.db2.gz PMMYPTCGXDMTHW-GXTWGEPZSA-N 1 0 380.938 2.877 20 0 GFADRO CS(=O)(=O)c1ccc(-c2nc(CN3CCC[C@@H](CC[NH3+])C3)cs2)cc1 ZINC000443067492 563790411 /nfs/dbraw/zinc/79/04/11/563790411.db2.gz GULMIOJZALZYGN-AWEZNQCLSA-N 1 0 379.551 2.774 20 0 GFADRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)Nc1cccc(Cl)c1SCC(F)F ZINC000415657010 563790498 /nfs/dbraw/zinc/79/04/98/563790498.db2.gz PTJIZPTUOXFHDP-MWLCHTKSSA-N 1 0 391.871 2.750 20 0 GFADRO CS(=O)(=O)C[C@@H]1CCN(CC2=Cc3cc(Br)ccc3OC2)C1 ZINC000292702887 563793585 /nfs/dbraw/zinc/79/35/85/563793585.db2.gz CNWWIESUQBQDIV-GFCCVEGCSA-N 1 0 386.311 2.591 20 0 GFADRO CC(C)Sc1c(Cl)cccc1NC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000415748731 563793627 /nfs/dbraw/zinc/79/36/27/563793627.db2.gz PYVXZNICBFDQGC-CHWSQXEVSA-N 1 0 381.929 2.847 20 0 GFADRO C[C@@H](CCCC[NH3+])NC(=O)C(=O)Nc1cccc(Br)c1Cl ZINC000415742234 563793635 /nfs/dbraw/zinc/79/36/35/563793635.db2.gz MFHLNARVDXZNAW-VIFPVBQESA-N 1 0 376.682 2.675 20 0 GFADRO C[C@@H](CCCC[NH3+])NC(=O)C(=O)Nc1cc(Cl)cc(Br)c1 ZINC000415740100 563793996 /nfs/dbraw/zinc/79/39/96/563793996.db2.gz IBODMBCRALOESG-VIFPVBQESA-N 1 0 376.682 2.675 20 0 GFADRO C[C@@H](CCCC[NH3+])NC(=O)C(=O)Nc1ccc(Cl)cc1OCC(F)F ZINC000415736307 563794009 /nfs/dbraw/zinc/79/40/09/563794009.db2.gz AOQHIXJGWGWVIR-JTQLQIEISA-N 1 0 377.819 2.556 20 0 GFADRO Cc1cc(Br)cc(Cl)c1NC(=O)C(=O)N[C@H](C)CCC[NH3+] ZINC000415759663 563794955 /nfs/dbraw/zinc/79/49/55/563794955.db2.gz KNNRTJHYSOTJMC-SECBINFHSA-N 1 0 376.682 2.593 20 0 GFADRO Cc1c(Br)cccc1NC(=O)C(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000415760528 563795048 /nfs/dbraw/zinc/79/50/48/563795048.db2.gz KDUKTQBFMANEQF-AWEZNQCLSA-N 1 0 394.313 2.544 20 0 GFADRO COc1ccc(Cl)cc1NC(=O)[C@@H](C)N1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000365869563 563795333 /nfs/dbraw/zinc/79/53/33/563795333.db2.gz NUSXOEJIKSQLGL-UKRRQHHQSA-N 1 0 383.945 2.799 20 0 GFADRO C[C@H](CCCC[NH3+])NC(=O)C(=O)Nc1ccc(Br)cc1Cl ZINC000415780970 563796197 /nfs/dbraw/zinc/79/61/97/563796197.db2.gz MFPUMRWJBXWKTO-SECBINFHSA-N 1 0 376.682 2.675 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)Nc2cccc3c(Br)ccnc23)CCCO1 ZINC000415787323 563796364 /nfs/dbraw/zinc/79/63/64/563796364.db2.gz KYHWCCHDSOZKCN-LLVKDONJSA-N 1 0 379.258 2.579 20 0 GFADRO CC[C@@H]([NH3+])CNC(=O)C(=O)Nc1cc(Cl)ccc1SCC(F)(F)F ZINC000415788720 563796389 /nfs/dbraw/zinc/79/63/89/563796389.db2.gz OVXFZAHHALYLKO-SECBINFHSA-N 1 0 383.823 2.786 20 0 GFADRO CNC(=O)[C@H]1CCC[N@H+](C[C@](C)(O)c2ccc(Br)cc2Cl)C1 ZINC000292964615 563797503 /nfs/dbraw/zinc/79/75/03/563797503.db2.gz CZXSOGOCEKTJER-ZBEGNZNMSA-N 1 0 389.721 2.768 20 0 GFADRO CSc1ccc(Cl)cc1NC(=O)C(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000415820959 563798524 /nfs/dbraw/zinc/79/85/24/563798524.db2.gz MIHLARXWAADAST-OLZOCXBDSA-N 1 0 381.929 2.849 20 0 GFADRO C[C@@H]1CCN(C(=O)C(=O)Nc2cc(Cl)ccc2C(F)(F)F)C[C@@H]1C[NH3+] ZINC000415840743 563798888 /nfs/dbraw/zinc/79/88/88/563798888.db2.gz GISAFHLXYUTEFL-ZJUUUORDSA-N 1 0 377.794 2.741 20 0 GFADRO C[C@@H]1CN(C(=O)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)C[C@@]1(C)C[NH3+] ZINC000415836671 563799197 /nfs/dbraw/zinc/79/91/97/563799197.db2.gz FORPRYCGRQATIN-RFAUZJTJSA-N 1 0 377.794 2.741 20 0 GFADRO C[NH+]1CCC(CC(=O)NCc2noc(-c3cccc(Br)c3)n2)CC1 ZINC000293071017 563799565 /nfs/dbraw/zinc/79/95/65/563799565.db2.gz XSPFNXAGDWLSSK-UHFFFAOYSA-N 1 0 393.285 2.847 20 0 GFADRO Cc1ccc(C[NH+](C)C)cc1NC(=O)c1cc2c(s1)CCS(=O)(=O)C2 ZINC000366125763 563799725 /nfs/dbraw/zinc/79/97/25/563799725.db2.gz LMQXTBXPSCPUDO-UHFFFAOYSA-N 1 0 378.519 2.841 20 0 GFADRO [NH3+]CC[C@@H](NC(=O)NCC(=O)Nc1cc(Cl)ccc1Cl)C(F)(F)F ZINC000415989838 563801403 /nfs/dbraw/zinc/80/14/03/563801403.db2.gz BOMKWFRZQKWUTA-SNVBAGLBSA-N 1 0 387.189 2.511 20 0 GFADRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(Cc2ccnc(Br)c2)CC1 ZINC000293133575 563801565 /nfs/dbraw/zinc/80/15/65/563801565.db2.gz PXYXSKMALYUDAU-IYBDPMFKSA-N 1 0 381.362 2.835 20 0 GFADRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(Cc2ccnc(Br)c2)CC1 ZINC000293133573 563802071 /nfs/dbraw/zinc/80/20/71/563802071.db2.gz PXYXSKMALYUDAU-HZPDHXFCSA-N 1 0 381.362 2.835 20 0 GFADRO [NH3+]CC[C@@H](NC(=O)N1CCO[C@@H](c2ccc(F)cc2Cl)C1)C(F)(F)F ZINC000416027647 563802985 /nfs/dbraw/zinc/80/29/85/563802985.db2.gz JFULDGONCUJCIH-CHWSQXEVSA-N 1 0 383.773 2.842 20 0 GFADRO [NH3+]CC[C@H](NC(=O)N[C@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)C(F)(F)F ZINC000416034778 563803155 /nfs/dbraw/zinc/80/31/55/563803155.db2.gz UIYPOXXSWJJCRJ-AVGNSLFASA-N 1 0 383.773 2.888 20 0 GFADRO CC[NH+](CC)C[C@H]1CCCC[C@H]1NS(=O)(=O)c1ccsc1C(=O)OC ZINC000443373187 563803340 /nfs/dbraw/zinc/80/33/40/563803340.db2.gz NPFSYYFAKVRZQX-ZIAGYGMSSA-N 1 0 388.555 2.714 20 0 GFADRO [NH3+]CC[C@H](NC(=O)N[C@H]1CCOc2c(Br)cccc21)C(F)(F)F ZINC000416038405 563803732 /nfs/dbraw/zinc/80/37/32/563803732.db2.gz DMMIWJRWALSULO-QWRGUYRKSA-N 1 0 396.207 2.852 20 0 GFADRO Cc1nc2ccc(Br)cn2c1C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000366339678 563805481 /nfs/dbraw/zinc/80/54/81/563805481.db2.gz ONMLJHUHNREMTE-KGLIPLIRSA-N 1 0 377.286 2.762 20 0 GFADRO CC[N@@H+]1CC[C@@H](CNC(=O)C2(c3cc(Br)ccc3OC)CC2)C1 ZINC000416127029 563805864 /nfs/dbraw/zinc/80/58/64/563805864.db2.gz CJUWPZYWIGAGLP-ZDUSSCGKSA-N 1 0 381.314 2.947 20 0 GFADRO O=S(=O)(N[C@@H]1CC12CC[NH2+]CC2)c1cc(Cl)ccc1Br ZINC000366369737 563807008 /nfs/dbraw/zinc/80/70/08/563807008.db2.gz PULBDLBOMNSGTN-GFCCVEGCSA-N 1 0 379.707 2.523 20 0 GFADRO CC[C@H](N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000366457070 563808824 /nfs/dbraw/zinc/80/88/24/563808824.db2.gz GTXSSEHRAIJBRC-UXLLHSPISA-N 1 0 385.961 2.916 20 0 GFADRO Cc1c(C(=O)NCC2([NH+](C)C)CC2)cnn1-c1ccc(Br)cc1 ZINC000416286936 563813249 /nfs/dbraw/zinc/81/32/49/563813249.db2.gz CEIIEPKJCHVYBV-UHFFFAOYSA-N 1 0 377.286 2.767 20 0 GFADRO Cc1c(C(=O)NCC2([NH+](C)C)CC2)cnn1-c1cccc(Br)c1 ZINC000416301598 563813746 /nfs/dbraw/zinc/81/37/46/563813746.db2.gz LQAPUNARSPSONO-UHFFFAOYSA-N 1 0 377.286 2.767 20 0 GFADRO O=C(c1nc(C2CC2)ncc1Br)N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000366556307 563813830 /nfs/dbraw/zinc/81/38/30/563813830.db2.gz PHBCOXZQFCZWOU-GUTXKFCHSA-N 1 0 391.313 2.673 20 0 GFADRO Cc1ccc(CCC(=O)N2C[C@H](C)[N@@H+](CCO)C[C@@H]2C)c(Br)c1 ZINC000416302670 563814216 /nfs/dbraw/zinc/81/42/16/563814216.db2.gz GIILVLVPNIPGLL-GJZGRUSLSA-N 1 0 383.330 2.604 20 0 GFADRO CCc1sc(C(=O)N[C@@H](C)CC[NH+]2CCN(C)CC2)cc1Br ZINC000293540774 563818189 /nfs/dbraw/zinc/81/81/89/563818189.db2.gz QGNGKEBGOUECEZ-LBPRGKRZSA-N 1 0 388.375 2.829 20 0 GFADRO Cc1cc(C[NH+](C)C)cc(NC(=O)c2cnn(C)c2I)c1 ZINC000293546832 563818244 /nfs/dbraw/zinc/81/82/44/563818244.db2.gz TYTAEDMKOJTSDP-UHFFFAOYSA-N 1 0 398.248 2.647 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cnc2ccc(Br)cc2c1O ZINC000444029337 563818433 /nfs/dbraw/zinc/81/84/33/563818433.db2.gz BXPWBGYPFXXGQH-CHWSQXEVSA-N 1 0 390.281 2.647 20 0 GFADRO CC[C@H](CO)[NH+]1CCN(C(=O)Nc2cc(Cl)c(OC)c(Cl)c2)CC1 ZINC000444023400 563818650 /nfs/dbraw/zinc/81/86/50/563818650.db2.gz KATNRNSJIFWHFT-GFCCVEGCSA-N 1 0 376.284 2.922 20 0 GFADRO Nc1ccnc(C[NH2+]C2(Cc3ccc(F)cc3Br)CCOCC2)n1 ZINC000293580505 563819702 /nfs/dbraw/zinc/81/97/02/563819702.db2.gz NRDKVXGGOQEENO-UHFFFAOYSA-N 1 0 395.276 2.842 20 0 GFADRO C[C@H](NC(=O)c1nn(C)cc1Br)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000293603500 563820380 /nfs/dbraw/zinc/82/03/80/563820380.db2.gz YCVNPLAMHLLGOG-DZGCQCFKSA-N 1 0 391.313 2.823 20 0 GFADRO CCOC(=O)c1cc(Cl)cc(S(=O)(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000293602714 563820470 /nfs/dbraw/zinc/82/04/70/563820470.db2.gz XYCIQTPSDWMFBY-WFASDCNBSA-N 1 0 388.917 2.620 20 0 GFADRO C[C@H](NC(=O)[C@@H]1C[C@]12CC[NH2+]C2)c1nc(-c2ccc(Br)cc2)no1 ZINC000444201225 563824236 /nfs/dbraw/zinc/82/42/36/563824236.db2.gz DIOJUKNSLYSCIB-SVKFGRERSA-N 1 0 391.269 2.676 20 0 GFADRO C[C@H](NC(=O)[C@H]1C[C@@]12CC[NH2+]C2)c1nc(-c2ccc(Br)cc2)no1 ZINC000444201222 563824367 /nfs/dbraw/zinc/82/43/67/563824367.db2.gz DIOJUKNSLYSCIB-MNRXQERYSA-N 1 0 391.269 2.676 20 0 GFADRO CC[N@@H+](Cc1cccc(Br)c1)C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000444241059 563825794 /nfs/dbraw/zinc/82/57/94/563825794.db2.gz QQZSBJPOKUZLEX-OAHLLOKOSA-N 1 0 389.359 2.943 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000444261354 563826441 /nfs/dbraw/zinc/82/64/41/563826441.db2.gz FNJYAYJRIUQUBD-HUUCEWRRSA-N 1 0 384.567 2.609 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)C[N@@H+]1CCCC[C@@H]1[C@@H]1CNC(=O)C1 ZINC000367035805 563828186 /nfs/dbraw/zinc/82/81/86/563828186.db2.gz CVRDTNSRDQREOH-XJKSGUPXSA-N 1 0 394.313 2.687 20 0 GFADRO COc1cc(C)c(Br)cc1C(=O)Nc1ccnn1CC[NH+](C)C ZINC000294107329 563831533 /nfs/dbraw/zinc/83/15/33/563831533.db2.gz OVMCAWIZEQKTCP-UHFFFAOYSA-N 1 0 381.274 2.777 20 0 GFADRO COc1cc(OC)c(S(=O)(=O)N[C@@H]2CCC[N@@H+](C(C)C)C2)cc1Cl ZINC000416465611 563832708 /nfs/dbraw/zinc/83/27/08/563832708.db2.gz MGMPHEMFPBWIPE-GFCCVEGCSA-N 1 0 376.906 2.508 20 0 GFADRO CC(C)(O)C[N@@H+]1CCCN(Cc2nc3cc(Br)ccc3o2)CC1 ZINC000367142979 563833280 /nfs/dbraw/zinc/83/32/80/563833280.db2.gz CXLSJJQJUHQTRE-UHFFFAOYSA-N 1 0 382.302 2.869 20 0 GFADRO C[C@H]1CN(C(=O)c2c[nH]c3ccc(Br)cc32)CC[N@@H+]1CC(C)(C)O ZINC000444548371 563833390 /nfs/dbraw/zinc/83/33/90/563833390.db2.gz JHODMMHQYYXKCT-LBPRGKRZSA-N 1 0 394.313 2.848 20 0 GFADRO COCC[N@H+](C)CCCNC(=O)c1cc(Cl)c(F)cc1Br ZINC000294316877 563838279 /nfs/dbraw/zinc/83/82/79/563838279.db2.gz CZRPVNCNFQZNJU-UHFFFAOYSA-N 1 0 381.673 2.940 20 0 GFADRO CC1CC[NH+](CC2CCN(C(=O)c3csc(S(C)(=O)=O)c3)CC2)CC1 ZINC000367261521 563838594 /nfs/dbraw/zinc/83/85/94/563838594.db2.gz AQVQAPLRFUMJKY-UHFFFAOYSA-N 1 0 384.567 2.736 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2C(=O)[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000367289095 563839055 /nfs/dbraw/zinc/83/90/55/563839055.db2.gz ZTMREVZIYPYJDI-QBPKDAKJSA-N 1 0 387.307 2.737 20 0 GFADRO COc1ccc(S(=O)(=O)NCCCC[N@H+](C)C2CC2)cc1Br ZINC000416500213 563839196 /nfs/dbraw/zinc/83/91/96/563839196.db2.gz GDKSEDJADIBJQT-UHFFFAOYSA-N 1 0 391.331 2.610 20 0 GFADRO COc1cc(OC)c(S(=O)(=O)NCC[N@@H+]2CCCC2(C)C)cc1Cl ZINC000416498197 563839237 /nfs/dbraw/zinc/83/92/37/563839237.db2.gz WXEWTCHQTKYIEK-UHFFFAOYSA-N 1 0 376.906 2.510 20 0 GFADRO C[N@H+](CCCCNS(=O)(=O)c1cccc(OC(F)(F)F)c1F)C1CC1 ZINC000416506017 563839704 /nfs/dbraw/zinc/83/97/04/563839704.db2.gz GWSTXDJFEIUGPQ-UHFFFAOYSA-N 1 0 384.395 2.877 20 0 GFADRO C[C@H](CO)[N@@H+]1CCCN(c2ccc(Br)c(C(F)(F)F)n2)CC1 ZINC000367450999 563844797 /nfs/dbraw/zinc/84/47/97/563844797.db2.gz OCZRNYCAYOLMJC-SNVBAGLBSA-N 1 0 382.224 2.756 20 0 GFADRO CC(C)C[NH+]1CCN(C(=O)[C@@H]2CC(=O)Nc3ccc(Br)cc32)CC1 ZINC000445245043 563845719 /nfs/dbraw/zinc/84/57/19/563845719.db2.gz AGSBVRXGAOMRBA-OAHLLOKOSA-N 1 0 394.313 2.675 20 0 GFADRO O=C(NCC1([NH+]2CCSCC2)CCCC1)c1ccnn1CC(F)(F)F ZINC000294572496 563846975 /nfs/dbraw/zinc/84/69/75/563846975.db2.gz SMHFHHQRDGIJTQ-UHFFFAOYSA-N 1 0 376.448 2.537 20 0 GFADRO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)c1cccc(F)c1Br ZINC000294590841 563848000 /nfs/dbraw/zinc/84/80/00/563848000.db2.gz CUWCYQZKFDJRIC-UHFFFAOYSA-N 1 0 386.309 2.686 20 0 GFADRO Cc1c(Br)cccc1S(=O)(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000416562362 563848962 /nfs/dbraw/zinc/84/89/62/563848962.db2.gz WFVYNHRLIAYTJR-ZDUSSCGKSA-N 1 0 375.332 2.768 20 0 GFADRO CCOC(=O)c1cc(Cl)cc(S(=O)(=O)NCC[C@H]2CCC[N@H+](C)C2)c1 ZINC000416563782 563849357 /nfs/dbraw/zinc/84/93/57/563849357.db2.gz YYUKXGOZBSLMFA-CYBMUJFWSA-N 1 0 388.917 2.527 20 0 GFADRO CCOC(=O)COc1c(Br)cc(C)cc1C[NH2+]C[C@@H]1[C@H]2COC[C@H]21 ZINC000367689043 563852370 /nfs/dbraw/zinc/85/23/70/563852370.db2.gz QTDYCPMTGRDZMA-QKDCVEJESA-N 1 0 398.297 2.681 20 0 GFADRO CN(C)c1ncc(C[N@H+](C)CCOc2cc(F)cc(Br)c2)cn1 ZINC000445816486 563854543 /nfs/dbraw/zinc/85/45/43/563854543.db2.gz AWDUWCCHBRQERZ-UHFFFAOYSA-N 1 0 383.265 2.955 20 0 GFADRO CC(C)[C@H](CC(F)(F)F)[NH2+]CC(=O)N1CCN(Cc2cccs2)CC1 ZINC000445891299 563855701 /nfs/dbraw/zinc/85/57/01/563855701.db2.gz UBICCLWEQHYYRZ-HNNXBMFYSA-N 1 0 377.476 2.959 20 0 GFADRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1CCOc1cc(F)cc(Br)c1 ZINC000446001431 563856993 /nfs/dbraw/zinc/85/69/93/563856993.db2.gz INGIDWAEXACHPN-ZDUSSCGKSA-N 1 0 389.309 2.744 20 0 GFADRO COc1cc(CN2C[C@H]3[C@H](CO)[C@H]3C2)cc(Br)c1OC(F)F ZINC000367840595 563857335 /nfs/dbraw/zinc/85/73/35/563857335.db2.gz QTSSKXPJPMSWPN-URLYPYJESA-N 1 0 378.213 2.729 20 0 GFADRO CC[NH+](CC)CCN(CC(C)C)C(=O)Cc1cc[nH]c(=O)c1Br ZINC000446109571 563859032 /nfs/dbraw/zinc/85/90/32/563859032.db2.gz SMZWPODXXCKKPC-UHFFFAOYSA-N 1 0 386.334 2.919 20 0 GFADRO C[NH+](C)CCOC1CCN(C(=O)c2c(F)cc(Br)cc2F)CC1 ZINC000446111168 563859044 /nfs/dbraw/zinc/85/90/44/563859044.db2.gz HANNTFVNSIKCHO-UHFFFAOYSA-N 1 0 391.256 2.910 20 0 GFADRO O[C@@H](COCC(F)(F)F)CN1CCOc2c(Br)cccc2C1 ZINC000367923984 563859788 /nfs/dbraw/zinc/85/97/88/563859788.db2.gz HOZAGBJTLBYOMC-LLVKDONJSA-N 1 0 384.192 2.583 20 0 GFADRO O=C(NCc1ccc(Cl)cc1Cl)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000416798481 563861202 /nfs/dbraw/zinc/86/12/02/563861202.db2.gz PXAVKEAEJQFVKF-ZDUSSCGKSA-N 1 0 399.244 2.629 20 0 GFADRO CSc1ccc([C@@H](C)N2CCC([NH2+][C@H]3CCS(=O)(=O)C3)CC2)cc1F ZINC000368046158 563862580 /nfs/dbraw/zinc/86/25/80/563862580.db2.gz YYQWOJIMWPIXTQ-CJNGLKHVSA-N 1 0 386.558 2.850 20 0 GFADRO O=C(N[C@H]1CCSc2ccc(Cl)cc21)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000416902119 563863042 /nfs/dbraw/zinc/86/30/42/563863042.db2.gz BHTQYQVTACIHHA-ZBFHGGJFSA-N 1 0 380.945 2.566 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)c1nc(C2CC2)ncc1Br ZINC000368123057 563864501 /nfs/dbraw/zinc/86/45/01/563864501.db2.gz KVPSKVAQSUKFPC-GFCCVEGCSA-N 1 0 379.302 2.863 20 0 GFADRO C[NH+]1CCC(N(Cc2ccccc2Br)C(=O)Cc2cc[nH]n2)CC1 ZINC000368183651 563865755 /nfs/dbraw/zinc/86/57/55/563865755.db2.gz IAYJSGMJSKBHOR-UHFFFAOYSA-N 1 0 391.313 2.838 20 0 GFADRO COc1ccc(F)cc1C[NH2+]C[C@@H]1CCN(S(=O)(=O)c2cccs2)C1 ZINC000368239073 563866616 /nfs/dbraw/zinc/86/66/16/563866616.db2.gz HHWKYIIZOUFWFR-ZDUSSCGKSA-N 1 0 384.498 2.696 20 0 GFADRO O=C(NCCC[NH2+]Cc1cccnc1)NCc1ccc(Br)s1 ZINC000417088122 563867513 /nfs/dbraw/zinc/86/75/13/563867513.db2.gz JFJQODWNDHAMQM-UHFFFAOYSA-N 1 0 383.315 2.885 20 0 GFADRO CS(=O)(=O)c1cccc(Cl)c1CN[C@H]1CCN(c2ncccc2F)C1 ZINC000368285378 563868007 /nfs/dbraw/zinc/86/80/07/563868007.db2.gz OTDYVVAKAQSYRP-LBPRGKRZSA-N 1 0 383.876 2.646 20 0 GFADRO CCOc1c(Cl)cc(CNC(=O)N[C@H]2C[NH2+]CCC2(F)F)cc1OC ZINC000417153906 563869124 /nfs/dbraw/zinc/86/91/24/563869124.db2.gz WFXSBWOVIJXJHW-ZDUSSCGKSA-N 1 0 377.819 2.544 20 0 GFADRO [NH3+][C@@H]1CCCN(C(=O)NCC2(c3cccc(Br)c3)CCOCC2)C1 ZINC000417190121 563871746 /nfs/dbraw/zinc/87/17/46/563871746.db2.gz ZNXKNEWHQWJLCO-MRXNPFEDSA-N 1 0 396.329 2.630 20 0 GFADRO [NH3+]CCCCNC(=O)NCC1(c2cccc(Br)c2)CCOCC1 ZINC000417186677 563871996 /nfs/dbraw/zinc/87/19/96/563871996.db2.gz VQIVTUOCBCYQGM-UHFFFAOYSA-N 1 0 384.318 2.535 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)NCc1cn2cc(Br)ccc2n1 ZINC000417218141 563873764 /nfs/dbraw/zinc/87/37/64/563873764.db2.gz KWBNJLFHPZWLLN-FZMZJTMJSA-N 1 0 380.290 2.508 20 0 GFADRO O=C(C[C@@H]1COCC[NH2+]1)N1CCC(C(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000368599465 563875482 /nfs/dbraw/zinc/87/54/82/563875482.db2.gz ZZTXTESMPKHCGI-CQSZACIVSA-N 1 0 385.291 2.793 20 0 GFADRO C[C@@]1(C[NH3+])CCN(C(=O)NC[C@H]2CCN(c3cccc(Br)c3)C2)C1 ZINC000417260908 563875835 /nfs/dbraw/zinc/87/58/35/563875835.db2.gz JWZWDNPYUXUFDJ-KDOFPFPSSA-N 1 0 395.345 2.656 20 0 GFADRO C[NH+]1CCC2(CCCN2S(=O)(=O)Cc2cccc(Br)c2)CC1 ZINC000368624268 563875886 /nfs/dbraw/zinc/87/58/86/563875886.db2.gz NHXQCWYLNSAAGA-UHFFFAOYSA-N 1 0 387.343 2.839 20 0 GFADRO C[C@@H]1CN(C(=O)NC[C@H]2CCN(c3cccc(Br)c3)C2)[C@H](C)C[NH2+]1 ZINC000417263548 563875866 /nfs/dbraw/zinc/87/58/66/563875866.db2.gz QFXHODOOHLUPNK-RBSFLKMASA-N 1 0 395.345 2.667 20 0 GFADRO O=C(CCC[S@](=O)c1ccc(Br)cc1)N[C@@H]1CCC[NH2+]CC1 ZINC000368721740 563877600 /nfs/dbraw/zinc/87/76/00/563877600.db2.gz KEQIRMWIEXEBOD-PEBXRYMYSA-N 1 0 387.343 2.595 20 0 GFADRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)NCc1cc(Br)c2c(c1)OCCO2 ZINC000417295757 563877727 /nfs/dbraw/zinc/87/77/27/563877727.db2.gz FOWFRSOGRXYVPI-JSGCOSHPSA-N 1 0 398.301 2.537 20 0 GFADRO COc1cc(Cl)c(S(=O)(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc1Cl ZINC000447251742 563877964 /nfs/dbraw/zinc/87/79/64/563877964.db2.gz QAANEMOMPMGTAO-KWBADKCTSA-N 1 0 379.309 2.750 20 0 GFADRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)NCc1cc(Br)ccc1OC(F)F ZINC000417407429 563879093 /nfs/dbraw/zinc/87/90/93/563879093.db2.gz MXOHOVWDUUQGQP-VHSXEESVSA-N 1 0 392.244 2.942 20 0 GFADRO COc1ccc(Br)cc1CNC(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000417384947 563879235 /nfs/dbraw/zinc/87/92/35/563879235.db2.gz QPRIWJPZLJLFON-CQSZACIVSA-N 1 0 396.329 2.989 20 0 GFADRO O=C(NCc1cc(Br)ccc1OC(F)F)NC[C@@H]1CCC[NH2+]1 ZINC000417406049 563879241 /nfs/dbraw/zinc/87/92/41/563879241.db2.gz JZTHMKVHDQMAHY-NSHDSACASA-N 1 0 378.217 2.602 20 0 GFADRO [NH3+][C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(=O)[nH]c2c(Br)cccc12 ZINC000368815426 563879258 /nfs/dbraw/zinc/87/92/58/563879258.db2.gz CMFJMKFMPAEXHY-RTCCRHLQSA-N 1 0 376.254 2.797 20 0 GFADRO C[C@H]1CN(C(=O)NCc2cc(Br)ccc2OC(F)F)CC[NH2+]1 ZINC000417411638 563879645 /nfs/dbraw/zinc/87/96/45/563879645.db2.gz UBLQQWQGMLQINZ-VIFPVBQESA-N 1 0 378.217 2.554 20 0 GFADRO O=C(NCC1(c2ccc(Br)cc2)CCOCC1)N[C@@H]1CCC[NH2+]C1 ZINC000417433033 563880081 /nfs/dbraw/zinc/88/00/81/563880081.db2.gz UTUDFGNAMFBYGY-MRXNPFEDSA-N 1 0 396.329 2.549 20 0 GFADRO COc1ccc(CNC(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)cc1Br ZINC000417433039 563880246 /nfs/dbraw/zinc/88/02/46/563880246.db2.gz UUJGWNIDEMSRHC-KRWDZBQOSA-N 1 0 382.302 2.743 20 0 GFADRO [NH3+]C1(CNC(=O)NCC2(c3ccc(Br)cc3)CCOCC2)CCC1 ZINC000417426221 563880296 /nfs/dbraw/zinc/88/02/96/563880296.db2.gz FWQADGLJFRULAU-UHFFFAOYSA-N 1 0 396.329 2.678 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)N[C@H](C[NH3+])CC(C)C ZINC000417475166 563880535 /nfs/dbraw/zinc/88/05/35/563880535.db2.gz AZQRLLHKQJAMIR-AWEZNQCLSA-N 1 0 399.333 2.759 20 0 GFADRO CC[C@H]1Cc2c(Br)cccc2C[N@@H+]1CCCN1C(=O)CNC1=O ZINC000447402699 563881150 /nfs/dbraw/zinc/88/11/50/563881150.db2.gz AECQRZLSRBPHFH-ZDUSSCGKSA-N 1 0 380.286 2.528 20 0 GFADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000369044384 563885300 /nfs/dbraw/zinc/88/53/00/563885300.db2.gz LYQKKGVDHFKMKG-NEPJUHHUSA-N 1 0 375.803 2.926 20 0 GFADRO CC(C)C[C@H](C[NH3+])NC(=O)N[C@H]1CCN(c2ccccc2Br)C1 ZINC000417600429 563885495 /nfs/dbraw/zinc/88/54/95/563885495.db2.gz JIPLUZRKLISTHW-UONOGXRCSA-N 1 0 383.334 2.700 20 0 GFADRO CCCN(C(=O)N[C@@H]1CCN(c2ccccc2Br)C1)[C@H]1CC[NH2+]C1 ZINC000417605920 563886300 /nfs/dbraw/zinc/88/63/00/563886300.db2.gz ZKIPABAWJLGAKU-CABCVRRESA-N 1 0 395.345 2.811 20 0 GFADRO C[N@@H+]1CCCC(C)(C)[C@@H]1CN[C@@H](C(N)=O)c1ccc(Br)cc1F ZINC000447797607 563886548 /nfs/dbraw/zinc/88/65/48/563886548.db2.gz LNMUNESKZKAXHJ-LSDHHAIUSA-N 1 0 386.309 2.825 20 0 GFADRO [NH3+]CC[C@@H](NC(=O)NCC1(c2cccc(Br)c2)CC1)C(F)F ZINC000417658271 563886769 /nfs/dbraw/zinc/88/67/69/563886769.db2.gz JCJXTOCLOGGHCK-GFCCVEGCSA-N 1 0 376.245 2.762 20 0 GFADRO C[C@@H](CCCC[NH3+])NC(=O)NCc1nnc(-c2ccc(Br)cc2)[nH]1 ZINC000417724024 563887511 /nfs/dbraw/zinc/88/75/11/563887511.db2.gz HVUREKDWPLBBGK-NSHDSACASA-N 1 0 395.305 2.551 20 0 GFADRO CC(C)[C@H]1C(=O)NCCN1C(=O)C1CC[NH+](Cc2ccc(Cl)s2)CC1 ZINC000369127877 563887488 /nfs/dbraw/zinc/88/74/88/563887488.db2.gz ZGDZMLYLDZDJRY-INIZCTEOSA-N 1 0 383.945 2.597 20 0 GFADRO O=C1[C@@H]([NH2+]C2(c3ccc(Br)cc3)CC2)CCN1C1CCOCC1 ZINC000369129468 563887557 /nfs/dbraw/zinc/88/75/57/563887557.db2.gz FEUWATJORSXBBV-INIZCTEOSA-N 1 0 379.298 2.808 20 0 GFADRO CCC([NH3+])(CC)CNC(=O)NCc1nnc(-c2ccc(Br)cc2)[nH]1 ZINC000417719737 563887639 /nfs/dbraw/zinc/88/76/39/563887639.db2.gz DBNRYIIVVGOOGX-UHFFFAOYSA-N 1 0 395.305 2.551 20 0 GFADRO C[C@H]1CN(C(=O)NCCOc2ncc(C(F)(F)F)cc2Cl)CC[C@H]1[NH3+] ZINC000417738333 563888133 /nfs/dbraw/zinc/88/81/33/563888133.db2.gz OYBNPSOPJNOERE-JOYOIKCWSA-N 1 0 380.798 2.511 20 0 GFADRO CCCN(C(=O)NC[C@@H](C)Oc1cccc(Br)c1)[C@H]1CC[NH2+]C1 ZINC000417797797 563889752 /nfs/dbraw/zinc/88/97/52/563889752.db2.gz RCVLSMNFQVXBKN-HIFRSBDPSA-N 1 0 384.318 3.000 20 0 GFADRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2S(=O)(=O)c2ccc(OC(F)F)c(F)c2)C1 ZINC000447877791 563890211 /nfs/dbraw/zinc/89/02/11/563890211.db2.gz IWPOXQCRVJECTJ-BXUZGUMPSA-N 1 0 378.416 2.532 20 0 GFADRO [NH3+]C[C@H]1CCCN1C(=O)NC1CCN(Cc2ccc(Br)cc2)CC1 ZINC000417879868 563890248 /nfs/dbraw/zinc/89/02/48/563890248.db2.gz BZNUDKGUJFEAKG-QGZVFWFLSA-N 1 0 395.345 2.546 20 0 GFADRO C[C@@H](NC(=O)NCC[C@H](C)[NH3+])c1nc(-c2ccc(Br)cc2)no1 ZINC000417877759 563890251 /nfs/dbraw/zinc/89/02/51/563890251.db2.gz ACMAKDQZJFKATF-VHSXEESVSA-N 1 0 382.262 2.597 20 0 GFADRO C[C@@H](NC(=O)[C@H](C)[NH2+][C@H](CO)[C@@H]1CCCO1)c1ccc(Cl)cc1Cl ZINC000447917431 563890758 /nfs/dbraw/zinc/89/07/58/563890758.db2.gz XUNBMFQTJAKNGW-CJTUPEFNSA-N 1 0 375.296 2.689 20 0 GFADRO C[C@@H](NC(=O)NC[C@H]([NH3+])C1CC1)c1nc(-c2ccc(Br)cc2)no1 ZINC000417895555 563891019 /nfs/dbraw/zinc/89/10/19/563891019.db2.gz ORFMGQDKXPKVNG-RNCFNFMXSA-N 1 0 394.273 2.597 20 0 GFADRO C[C@@H](Cc1ccc(F)c(Br)c1)NC(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000417904107 563891623 /nfs/dbraw/zinc/89/16/23/563891623.db2.gz SVYWBEQPMGLLAQ-YVEFUNNKSA-N 1 0 384.293 2.914 20 0 GFADRO NC(=O)[C@@H]1CCC[C@H]([NH2+]Cc2ccc(F)cc2I)C1 ZINC000417938100 563892078 /nfs/dbraw/zinc/89/20/78/563892078.db2.gz IDZPIBKCMSVJGS-SKDRFNHKSA-N 1 0 376.213 2.564 20 0 GFADRO C[C@H]1CN(C(=O)NCCCOc2ncc(C(F)(F)F)cc2Cl)CC[NH2+]1 ZINC000417958617 563892932 /nfs/dbraw/zinc/89/29/32/563892932.db2.gz LADAWJQTGPKECZ-JTQLQIEISA-N 1 0 380.798 2.526 20 0 GFADRO Fc1ccc(C[NH2+][C@@H]2CCO[C@]3(CCOC3)C2)c(I)c1 ZINC000417957500 563893093 /nfs/dbraw/zinc/89/30/93/563893093.db2.gz FNCRINSZFQGNKL-UKRRQHHQSA-N 1 0 391.224 2.858 20 0 GFADRO CCn1cc(Br)cc1C(=O)N[C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@H]1C ZINC000369358588 563893798 /nfs/dbraw/zinc/89/37/98/563893798.db2.gz MMECBLJEGGXRDW-FVQBIDKESA-N 1 0 398.345 2.890 20 0 GFADRO [NH3+]CC[C@H](NC(=O)NCCc1c[nH]c2ccc(Br)cc12)C(F)F ZINC000417995789 563894371 /nfs/dbraw/zinc/89/43/71/563894371.db2.gz DICBVNDONIQLEA-ZDUSSCGKSA-N 1 0 389.244 2.755 20 0 GFADRO Cc1cc(Br)cn2cc(CNC(=O)N[C@H]3CCCC[C@H]3C[NH3+])nc12 ZINC000418021989 563895491 /nfs/dbraw/zinc/89/54/91/563895491.db2.gz QKHPPLPNMPFHFS-WFASDCNBSA-N 1 0 394.317 2.722 20 0 GFADRO [NH3+]C[C@@H]1CC[C@H](NC(=O)N[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C1 ZINC000418016070 563895539 /nfs/dbraw/zinc/89/55/39/563895539.db2.gz ZPMQWGPPHWXGRR-ZETOZRRWSA-N 1 0 385.295 2.525 20 0 GFADRO C[C@@H]1CCN(C(=O)NCc2cc(Br)cc3c2OCC3)C[C@@H]1C[NH3+] ZINC000418012875 563895552 /nfs/dbraw/zinc/89/55/52/563895552.db2.gz MRDLXQJLLBZPRV-RISCZKNCSA-N 1 0 382.302 2.510 20 0 GFADRO CCn1c(CNC(=O)N[C@H]2CCC[C@@H]([NH3+])C2)nc2cc(Br)ccc21 ZINC000418067847 563897221 /nfs/dbraw/zinc/89/72/21/563897221.db2.gz PLAZBLJCORPYNJ-OLZOCXBDSA-N 1 0 394.317 2.888 20 0 GFADRO C[NH2+]C[C@@H]1CCCN1C(=O)NCc1cnn(-c2ccc(Br)cc2)c1 ZINC000418085860 563898034 /nfs/dbraw/zinc/89/80/34/563898034.db2.gz BGJGCFKGFZUION-INIZCTEOSA-N 1 0 392.301 2.528 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H](NC(=O)N[C@@H]2CCN(c3cccc(Br)c3)C2)C1 ZINC000418089191 563898477 /nfs/dbraw/zinc/89/84/77/563898477.db2.gz BFFCVVFZCISCLV-RBSFLKMASA-N 1 0 381.318 2.597 20 0 GFADRO O=C(N[C@@H]1CCN(c2cccc(Br)c2)C1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000418094954 563898516 /nfs/dbraw/zinc/89/85/16/563898516.db2.gz IPNPGGWYBFWRSJ-RHSMWYFYSA-N 1 0 393.329 2.564 20 0 GFADRO [NH3+][C@H]1CCC[C@@H](NC(=O)NCc2cnn(-c3ccc(Br)cc3)c2)C1 ZINC000418089018 563898563 /nfs/dbraw/zinc/89/85/63/563898563.db2.gz LKCNSXYAYFWRDQ-LSDHHAIUSA-N 1 0 392.301 2.704 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCN(C(=O)NCc2cnn(-c3ccc(Br)cc3)c2)C1 ZINC000418097462 563899064 /nfs/dbraw/zinc/89/90/64/563899064.db2.gz YOFBLCRPSBVDDN-JSGCOSHPSA-N 1 0 392.301 2.514 20 0 GFADRO O=C(N[C@H]1C[C@H](c2ccc(F)c(Br)c2)C1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000418121820 563899443 /nfs/dbraw/zinc/89/94/43/563899443.db2.gz CVNZBFRQSUWGBT-JXFSHQFZSA-N 1 0 382.277 2.838 20 0 GFADRO COc1cc(Br)c(C[NH2+]CC(C)(C)C2(O)CCOCC2)cc1O ZINC000418137599 563899853 /nfs/dbraw/zinc/89/98/53/563899853.db2.gz SZHORJKDQOANTE-UHFFFAOYSA-N 1 0 388.302 2.821 20 0 GFADRO CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]CC(C)(C)C1(O)CCOCC1 ZINC000418138204 563899857 /nfs/dbraw/zinc/89/98/57/563899857.db2.gz UIDRXYAXSZOJCY-UHFFFAOYSA-N 1 0 389.945 2.791 20 0 GFADRO Cc1cc(CNC(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)ccc1I ZINC000418145029 563899889 /nfs/dbraw/zinc/89/98/89/563899889.db2.gz WMLFLPOYUPJWLC-DGCLKSJQSA-N 1 0 387.265 2.526 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H](CNC(=O)N[C@H]2COc3cc(F)c(Br)cc32)C1 ZINC000418151671 563900513 /nfs/dbraw/zinc/90/05/13/563900513.db2.gz HBBHMOCCVZGMCP-RULNRJAQSA-N 1 0 386.265 2.838 20 0 GFADRO C[C@H](CNC(=O)c1ccc(I)cc1F)C[NH+]1CCCC1 ZINC000448741669 563900582 /nfs/dbraw/zinc/90/05/82/563900582.db2.gz WXXXJYQRXIBIRW-LLVKDONJSA-N 1 0 390.240 2.892 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)NCc2cc(F)c(F)cc2Br)C1 ZINC000418189177 563900723 /nfs/dbraw/zinc/90/07/23/563900723.db2.gz XHBJPMFQBZDOOS-ZJUUUORDSA-N 1 0 376.245 2.996 20 0 GFADRO O=C(NCC[C@@H]1CCC[NH2+]C1)NCc1cc(F)c(F)cc1Br ZINC000418188004 563900771 /nfs/dbraw/zinc/90/07/71/563900771.db2.gz WDQVZWGACBSXJH-JTQLQIEISA-N 1 0 376.245 2.916 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)c1ccccc1-n1cc(Br)cn1)C1CC1 ZINC000448744777 563900983 /nfs/dbraw/zinc/90/09/83/563900983.db2.gz CLFODRZAKOOBRW-INIZCTEOSA-N 1 0 377.286 2.705 20 0 GFADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)Cc3ccc(C)cc3Br)C2)CC1 ZINC000448924866 563903484 /nfs/dbraw/zinc/90/34/84/563903484.db2.gz JRWVZPSANKEVRE-QGZVFWFLSA-N 1 0 394.357 2.538 20 0 GFADRO CN(C(=O)c1ccccc1-n1cc(Br)cn1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000448963177 563904188 /nfs/dbraw/zinc/90/41/88/563904188.db2.gz RUERTEUCWJYSGW-HNNXBMFYSA-N 1 0 389.297 2.944 20 0 GFADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[N@H+](C)CCSC ZINC000449029854 563905770 /nfs/dbraw/zinc/90/57/70/563905770.db2.gz QAQOORWBGHCFOF-LLVKDONJSA-N 1 0 375.332 2.757 20 0 GFADRO Fc1cccc(C[NH2+]C[C@]2(N3CCOCC3)CCSC2)c1Br ZINC000449094950 563906380 /nfs/dbraw/zinc/90/63/80/563906380.db2.gz VDRSSEPUYRUCTR-MRXNPFEDSA-N 1 0 389.334 2.886 20 0 GFADRO C[C@@H](COc1ccc(Cl)c(Cl)c1)[NH2+][C@H]1CCN(c2cnn(C)c2)C1=O ZINC000449153156 563907567 /nfs/dbraw/zinc/90/75/67/563907567.db2.gz CNSUZIZFTLUOSN-ZBEGNZNMSA-N 1 0 383.279 2.889 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]C[C@@]1(C)CCCO1 ZINC000449184918 563907864 /nfs/dbraw/zinc/90/78/64/563907864.db2.gz ARVMTWFBORTMIE-YVEFUNNKSA-N 1 0 385.302 2.621 20 0 GFADRO CC[C@@H]([NH2+][C@@H]1CCc2c1ccc(F)c2Br)C(=O)N1CCOCC1 ZINC000449174767 563907960 /nfs/dbraw/zinc/90/79/60/563907960.db2.gz IMNQCEGSRIQZAG-HUUCEWRRSA-N 1 0 385.277 2.803 20 0 GFADRO CS(=O)(=O)N[C@H]1CCCC[C@@H]1[NH2+]Cc1cccc(Br)c1F ZINC000449248708 564177942 /nfs/dbraw/zinc/17/79/42/564177942.db2.gz JVLXJAMYDRXDPI-STQMWFEESA-N 1 0 379.295 2.538 20 0 GFADRO CC[NH+]1CCN(CC(=O)N2CCC(c3ccc(Br)cc3)CC2)CC1 ZINC000505162625 564178016 /nfs/dbraw/zinc/17/80/16/564178016.db2.gz QNBRSQFKCJUCGF-UHFFFAOYSA-N 1 0 394.357 2.793 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[N@H+](C)CC[C@H]1CCCO1 ZINC000449268376 564178644 /nfs/dbraw/zinc/17/86/44/564178644.db2.gz GIGDGRQNMYMADC-XJKSGUPXSA-N 1 0 399.329 2.963 20 0 GFADRO C[C@@H]([NH2+][C@@H](CO)c1ccc(Br)cc1)c1ccc(-n2cnnn2)cc1 ZINC000537960365 564178748 /nfs/dbraw/zinc/17/87/48/564178748.db2.gz SPFHARITGGSAOY-PXAZEXFGSA-N 1 0 388.269 2.809 20 0 GFADRO CCOCCOC[C@H](O)C[NH2+]Cc1cc(Cl)c(C)cc1Br ZINC000449284656 564178858 /nfs/dbraw/zinc/17/88/58/564178858.db2.gz ONKSASBXULLOSX-CYBMUJFWSA-N 1 0 380.710 2.915 20 0 GFADRO C[C@@H]1CN(Cc2cn(-c3ccccc3Br)nn2)CC[N@@H+](C2CC2)C1 ZINC000449347015 564181748 /nfs/dbraw/zinc/18/17/48/564181748.db2.gz PRMKPQPYJLIOKM-CQSZACIVSA-N 1 0 390.329 2.946 20 0 GFADRO O=C(NCC[NH+]1CCC1)c1cccn1-c1cccc(I)c1 ZINC000505392281 564181927 /nfs/dbraw/zinc/18/19/27/564181927.db2.gz QXENLIQNJGVYES-UHFFFAOYSA-N 1 0 395.244 2.517 20 0 GFADRO COC(=O)c1ccc(Cl)c(C[NH2+]C[C@H]2CS(=O)(=O)c3ccccc32)c1 ZINC000449355529 564182012 /nfs/dbraw/zinc/18/20/12/564182012.db2.gz AHXQJSINSGVTCC-AWEZNQCLSA-N 1 0 379.865 2.787 20 0 GFADRO CCOc1ccc(C[NH2+]CCn2cc(Br)ccc2=O)cc1OC ZINC000449381131 564182803 /nfs/dbraw/zinc/18/28/03/564182803.db2.gz XXKHMVLRGNCLBJ-UHFFFAOYSA-N 1 0 381.270 2.808 20 0 GFADRO CS(=O)(=O)N1CC[C@H]([NH2+][C@@H](Cc2cccnc2)c2ccc(Cl)cc2)C1 ZINC000563263594 564183112 /nfs/dbraw/zinc/18/31/12/564183112.db2.gz HOULWQVPYUJZRK-ROUUACIJSA-N 1 0 379.913 2.642 20 0 GFADRO CCOc1c(Br)cc(C[NH2+]CC[C@](C)(O)COC)cc1OC ZINC000449383270 564183272 /nfs/dbraw/zinc/18/32/72/564183272.db2.gz GFMIILARSLCMQL-INIZCTEOSA-N 1 0 376.291 2.734 20 0 GFADRO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]C[C@H]1CCCN1CCCO ZINC000449389521 564184015 /nfs/dbraw/zinc/18/40/15/564184015.db2.gz SNKGMORRAHLWLD-RHSMWYFYSA-N 1 0 398.345 2.603 20 0 GFADRO OCCCN1CCC[C@H]([NH2+]Cc2cc(Br)c3c(c2)OCCCO3)C1 ZINC000449398069 564184059 /nfs/dbraw/zinc/18/40/59/564184059.db2.gz STNWRMPOAHNAFQ-HNNXBMFYSA-N 1 0 399.329 2.547 20 0 GFADRO O=S1(=O)CC[C@](O)(C[NH2+][C@H]2CCC[C@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000449409688 564184949 /nfs/dbraw/zinc/18/49/49/564184949.db2.gz VFNLWYYQMJCJRM-RCBQFDQVSA-N 1 0 378.321 2.769 20 0 GFADRO CC(C)[C@@H]([NH2+]CCOc1cc(Cl)cc(Cl)c1)C(=O)N1CCOCC1 ZINC000538258790 564186494 /nfs/dbraw/zinc/18/64/94/564186494.db2.gz JCERJADNVPYWKE-MRXNPFEDSA-N 1 0 375.296 2.845 20 0 GFADRO CC[C@@H](CNS(C)(=O)=O)[NH2+]Cc1cnc(-c2c(F)cccc2F)s1 ZINC000449441797 564186635 /nfs/dbraw/zinc/18/66/35/564186635.db2.gz IQKFMXQGRAQZLN-JTQLQIEISA-N 1 0 375.466 2.506 20 0 GFADRO O=C1NCC[C@@H]1CC[N@H+]1CCC[C@H]1c1ccc(I)cc1 ZINC000563350518 564187653 /nfs/dbraw/zinc/18/76/53/564187653.db2.gz OXDSRFRYKHEBQI-HIFRSBDPSA-N 1 0 384.261 2.954 20 0 GFADRO CC(C)[C@H]1C[N@H+](C)CCN1CC(=O)N[C@@H](C)c1ccc(Br)cc1 ZINC000471190253 564187986 /nfs/dbraw/zinc/18/79/86/564187986.db2.gz GTCFIOLYKOLDBC-WMLDXEAASA-N 1 0 382.346 2.898 20 0 GFADRO COc1ccc(C[C@H](CO)C[NH2+][C@H]2CN(C3CC3)C[C@H]2C)cc1Br ZINC000449598983 564190679 /nfs/dbraw/zinc/19/06/79/564190679.db2.gz JSXGNGAAAXBMMQ-XUWXXGDYSA-N 1 0 397.357 2.681 20 0 GFADRO CCn1nccc1C[NH2+]C[C@H](CO)Cc1ccc(OC)c(Br)c1 ZINC000449598134 564191105 /nfs/dbraw/zinc/19/11/05/564191105.db2.gz HNXDDUVQKYBCQS-CQSZACIVSA-N 1 0 382.302 2.615 20 0 GFADRO CC(=O)N1CCC([NH2+]C[C@@H](CO)Cc2ccc(C)c(Br)c2)CC1 ZINC000449596722 564191333 /nfs/dbraw/zinc/19/13/33/564191333.db2.gz CGIPJEVWFMEMGR-INIZCTEOSA-N 1 0 383.330 2.509 20 0 GFADRO CN(C(=O)Cc1cccc(I)c1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000471283217 564191340 /nfs/dbraw/zinc/19/13/40/564191340.db2.gz NWIULMBHRQAHNF-OAHLLOKOSA-N 1 0 384.261 2.529 20 0 GFADRO O=C(Nc1nnc(SCc2ccccc2)s1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000563437780 564191748 /nfs/dbraw/zinc/19/17/48/564191748.db2.gz ASKDXKMNZCUTIY-KGLIPLIRSA-N 1 0 375.523 3.189 20 0 GFADRO Cc1ccc(C[C@H](CO)C[NH2+]Cc2ccnc(N(C)C)n2)cc1Br ZINC000449601002 564191918 /nfs/dbraw/zinc/19/19/18/564191918.db2.gz QGVHBNJMMKGLSZ-HNNXBMFYSA-N 1 0 393.329 2.554 20 0 GFADRO CC[NH+](CC)CCCNC(=O)C(=O)NCc1c(C)cc(Br)cc1C ZINC000563465018 564192284 /nfs/dbraw/zinc/19/22/84/564192284.db2.gz GLZBBIWBKNXFAK-UHFFFAOYSA-N 1 0 398.345 2.530 20 0 GFADRO COC(=O)c1ccc(C[NH2+]C[C@H](CO)Cc2ccc(C)c(Br)c2)[nH]1 ZINC000449605455 564192341 /nfs/dbraw/zinc/19/23/41/564192341.db2.gz ZIFWTQPUFZNUNT-CQSZACIVSA-N 1 0 395.297 2.813 20 0 GFADRO CCOc1c(Cl)cc(NC(=O)C(=O)NCCC[NH2+]C(C)C)cc1Cl ZINC000563478756 564193598 /nfs/dbraw/zinc/19/35/98/564193598.db2.gz VMPXPSXJMZZRJQ-UHFFFAOYSA-N 1 0 376.284 2.835 20 0 GFADRO CC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CSCN1C(=O)c1ccc(Cl)cc1 ZINC000471376044 564193876 /nfs/dbraw/zinc/19/38/76/564193876.db2.gz LIBSLTFJCOAKSS-CJNGLKHVSA-N 1 0 383.945 2.702 20 0 GFADRO Cc1c(Br)cccc1C[C@H](CO)C[NH2+][C@@H]1CN(C2CC2)C[C@H]1C ZINC000449681208 564195560 /nfs/dbraw/zinc/19/55/60/564195560.db2.gz IMNHLRIRKFBWOL-FRIZHTMISA-N 1 0 381.358 2.981 20 0 GFADRO Cc1c(Br)cccc1C[C@H](CO)C[NH2+][C@@H]1CCC(=O)NC1(C)C ZINC000449679740 564196089 /nfs/dbraw/zinc/19/60/89/564196089.db2.gz FGVHFUPIWRMFRV-XJKSGUPXSA-N 1 0 383.330 2.555 20 0 GFADRO COc1ccc(Br)cc1C[C@H](CO)C[NH2+][C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000449685878 564197047 /nfs/dbraw/zinc/19/70/47/564197047.db2.gz WJVGRFCSDGSSLH-GRDNDAEWSA-N 1 0 397.357 2.824 20 0 GFADRO CC1(C)C[NH2+]CC[C@H]1NC(=O)[C@@H]1CCN(c2cc(Cl)ccc2Cl)C1=O ZINC000449697004 564197175 /nfs/dbraw/zinc/19/71/75/564197175.db2.gz JPDLYONQFFJSQJ-SWLSCSKDSA-N 1 0 384.307 2.851 20 0 GFADRO NC(=O)[C@@H]1CCC[N@H+](CCCNCc2cc3cc(Br)ccc3o2)C1 ZINC000563551023 564197423 /nfs/dbraw/zinc/19/74/23/564197423.db2.gz WNNPZEYTFPIOON-CYBMUJFWSA-N 1 0 394.313 2.872 20 0 GFADRO COc1ccc(CCC(=O)N[C@@H](CC[NH3+])C(F)(F)F)cc1Br ZINC000449717232 564197757 /nfs/dbraw/zinc/19/77/57/564197757.db2.gz HTPWNEQAWZRTFG-LBPRGKRZSA-N 1 0 383.208 2.786 20 0 GFADRO O=C(N[C@@H]1CCOc2c(Br)cccc21)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000563592403 564197930 /nfs/dbraw/zinc/19/79/30/564197930.db2.gz HTWACUINIAIWON-SLEUVZQESA-N 1 0 380.286 2.524 20 0 GFADRO COC[C@]1(CNC(=O)N[C@@H](C)c2ccc(Br)s2)CCC[NH2+]1 ZINC000563595788 564198291 /nfs/dbraw/zinc/19/82/91/564198291.db2.gz YDELREMADUCMIP-IINYFYTJSA-N 1 0 376.320 2.639 20 0 GFADRO [NH3+]CC[C@@H](NC(=O)C[C@@H]1Sc2ccc(Cl)cc2NC1=O)C(F)(F)F ZINC000449720140 564198741 /nfs/dbraw/zinc/19/87/41/564198741.db2.gz MMTRYSKJAHSSCG-WDEREUQCSA-N 1 0 381.807 2.539 20 0 GFADRO COCC[C@H](Cc1cccc(Br)c1)C(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000449727759 564199774 /nfs/dbraw/zinc/19/97/74/564199774.db2.gz RMEKDHPJXYAJNK-INMHGKMJSA-N 1 0 383.330 2.888 20 0 GFADRO C[NH+](C)CCn1ccc(C(=O)NCCCOc2ccc(Cl)cc2Cl)n1 ZINC000563627483 564200115 /nfs/dbraw/zinc/20/01/15/564200115.db2.gz ALZQGOWRELZAMH-UHFFFAOYSA-N 1 0 385.295 2.950 20 0 GFADRO Brc1c[nH+]c(NCc2ccc3c(c2)CCO3)cc1N1CCOCC1 ZINC000449765229 564200376 /nfs/dbraw/zinc/20/03/76/564200376.db2.gz HDUFSWSYVGXRJZ-UHFFFAOYSA-N 1 0 390.281 3.228 20 0 GFADRO Brc1ccccc1-n1cc(C[NH2+]CCCCn2ccnc2)nn1 ZINC000563755840 564206014 /nfs/dbraw/zinc/20/60/14/564206014.db2.gz NRHNNKUVKXALKE-UHFFFAOYSA-N 1 0 375.274 2.796 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)c2c(Br)cnn2C)C1 ZINC000449862018 564206403 /nfs/dbraw/zinc/20/64/03/564206403.db2.gz URJSTZFQFHWKJG-ZIAGYGMSSA-N 1 0 383.334 2.909 20 0 GFADRO C[C@H](CNC(=O)C(=O)NCc1cccc(Cl)c1Cl)[N@@H+]1CCC[C@H](C)C1 ZINC000563800081 564207529 /nfs/dbraw/zinc/20/75/29/564207529.db2.gz HVURSZLEEPUICD-QWHCGFSZSA-N 1 0 386.323 2.846 20 0 GFADRO Cc1c(I)cccc1C(=O)NCC[N@H+]1CC=C(C)CC1 ZINC000506648609 564207555 /nfs/dbraw/zinc/20/75/55/564207555.db2.gz MMICGJRVAQAFQR-UHFFFAOYSA-N 1 0 384.261 2.981 20 0 GFADRO CCSc1cccc(C[NH2+]CCc2ccc(OC)c(S(N)(=O)=O)c2)c1 ZINC000472054504 564211768 /nfs/dbraw/zinc/21/17/68/564211768.db2.gz VDKOGUFQANCINL-UHFFFAOYSA-N 1 0 380.535 2.787 20 0 GFADRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1c(Br)cnn1C ZINC000449999201 564213231 /nfs/dbraw/zinc/21/32/31/564213231.db2.gz LDYDQAYBLLAMHJ-OAHLLOKOSA-N 1 0 391.313 2.777 20 0 GFADRO O=C(C[NH2+]C1(c2ccc(Br)cc2)CC1)NC(=O)NC1CCCC1 ZINC000539280284 564215843 /nfs/dbraw/zinc/21/58/43/564215843.db2.gz FQPCACRPOWZSIJ-UHFFFAOYSA-N 1 0 380.286 2.796 20 0 GFADRO O=S(=O)(NCCCCC[NH+]1CCCC1)c1ccc(OCC(F)F)cc1 ZINC000564059679 564218590 /nfs/dbraw/zinc/21/85/90/564218590.db2.gz UEFMHMRQEJUTBJ-UHFFFAOYSA-N 1 0 376.469 2.875 20 0 GFADRO COc1ccc(Br)cc1C(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000564076058 564219460 /nfs/dbraw/zinc/21/94/60/564219460.db2.gz YNJRABAZPVZYFV-JKSUJKDBSA-N 1 0 375.266 2.943 20 0 GFADRO CSc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCCN2S(=O)(=O)N(C)C)cc1F ZINC000564152229 564221965 /nfs/dbraw/zinc/22/19/65/564221965.db2.gz MFQZDKSWNGYWEF-HIFRSBDPSA-N 1 0 389.562 2.859 20 0 GFADRO CC(C)[NH+]1CCC(O)(CNC(=O)[C@H]2C[C@@H]2c2cccc(Br)c2)CC1 ZINC000472433060 564222891 /nfs/dbraw/zinc/22/28/91/564222891.db2.gz YTTUHZMXJKAWLC-SJORKVTESA-N 1 0 395.341 2.904 20 0 GFADRO Cc1ccc(CC(=O)Nc2ccc(=O)n(CC[NH+](C)C)c2)c(Br)c1 ZINC000450238002 564223060 /nfs/dbraw/zinc/22/30/60/564223060.db2.gz SOMXRZYIKKBHMG-UHFFFAOYSA-N 1 0 392.297 2.662 20 0 GFADRO CN(C(=O)Nc1ccnn1Cc1ccccc1Br)[C@@H]1CC[NH2+]C1 ZINC000564187498 564223767 /nfs/dbraw/zinc/22/37/67/564223767.db2.gz IDSHTNTWRAUQKH-CYBMUJFWSA-N 1 0 378.274 2.520 20 0 GFADRO CC(C)(CCC[NH3+])NC(=O)c1ncc(Br)cc1Br ZINC000564202124 564224809 /nfs/dbraw/zinc/22/48/09/564224809.db2.gz IKGNYPXBPVJTFS-UHFFFAOYSA-N 1 0 379.096 2.854 20 0 GFADRO CC[N@H+](CCO)CCNC(=O)Cc1csc2ccc(Br)cc12 ZINC000472562800 564227181 /nfs/dbraw/zinc/22/71/81/564227181.db2.gz RVMLDDLXTWNUNM-UHFFFAOYSA-N 1 0 385.327 2.637 20 0 GFADRO C[C@H]1CCCN1S(=O)(=O)N(CC[NH+]1CCCC1)Cc1ccc(Cl)cc1 ZINC000472588431 564228068 /nfs/dbraw/zinc/22/80/68/564228068.db2.gz JMJKZVKHTOMUNK-INIZCTEOSA-N 1 0 385.961 2.967 20 0 GFADRO Cc1ccc(NC(=O)C(=O)N[C@@H](c2nccn2C)C2CC2)cc1Br ZINC000507428554 564229184 /nfs/dbraw/zinc/22/91/84/564229184.db2.gz KWNPOWMKFFAVAX-CQSZACIVSA-N 1 0 391.269 2.697 20 0 GFADRO CC[NH+](CC)CC[C@H](CO)NC(=O)[C@H](C)Oc1cccc(Cl)c1Cl ZINC000539920925 564232754 /nfs/dbraw/zinc/23/27/54/564232754.db2.gz QJHBARRWWOJUSP-QWHCGFSZSA-N 1 0 377.312 2.970 20 0 GFADRO Brc1ccn2cc(C[NH2+][C@@H]3CCOC4(CCOCC4)C3)nc2c1 ZINC000564410390 564232924 /nfs/dbraw/zinc/23/29/24/564232924.db2.gz NAKUGERKPPIKGO-CQSZACIVSA-N 1 0 380.286 2.915 20 0 GFADRO CC[C@@H](Cn1cncn1)[NH2+][C@@H](C)c1cc2c(cc1Br)OCCO2 ZINC000564424185 564233244 /nfs/dbraw/zinc/23/32/44/564233244.db2.gz QPLCUBBZSFWRKX-RYUDHWBXSA-N 1 0 381.274 2.941 20 0 GFADRO CC(=O)N1CCN(CC[NH2+][C@H]2CCCc3ccc(Br)cc32)CC1 ZINC000539968001 564234152 /nfs/dbraw/zinc/23/41/52/564234152.db2.gz YGCZTWOESYEELI-SFHVURJKSA-N 1 0 380.330 2.580 20 0 GFADRO C[C@@H]1[C@H](C)N(C(=O)Cc2csc(NC(=O)c3cccs3)n2)CC[N@H+]1C ZINC000540012246 564236799 /nfs/dbraw/zinc/23/67/99/564236799.db2.gz JIOKUOBWYMLELF-NEPJUHHUSA-N 1 0 378.523 2.550 20 0 GFADRO C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)c1ccccc1-n1cc(Br)cn1 ZINC000450559512 564238715 /nfs/dbraw/zinc/23/87/15/564238715.db2.gz FTMGLFAZEZRJMF-QWHCGFSZSA-N 1 0 377.286 2.799 20 0 GFADRO CCCN(CC[NH+]1CCCC1)C(=O)C(=O)Nc1ccccc1Br ZINC000507798497 564243626 /nfs/dbraw/zinc/24/36/26/564243626.db2.gz REZKZWAMFIFPOO-UHFFFAOYSA-N 1 0 382.302 2.722 20 0 GFADRO O=C(NCC[C@H]1CCC[NH2+]C1)Nc1ccc2nccnc2c1Br ZINC000564714959 564245810 /nfs/dbraw/zinc/24/58/10/564245810.db2.gz MFGFZXDLDFFKDW-LLVKDONJSA-N 1 0 378.274 2.904 20 0 GFADRO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@H]1CC(=O)Nc2ccc(Br)cc21 ZINC000564714798 564246358 /nfs/dbraw/zinc/24/63/58/564246358.db2.gz KJIIZJHCTWDWLY-KYOSRNDESA-N 1 0 392.297 2.570 20 0 GFADRO C[C@H]1Cc2cc(S(=O)(=O)N3CCCC34CC[NH+](C)CC4)cc(Cl)c2O1 ZINC000507933570 564247921 /nfs/dbraw/zinc/24/79/21/564247921.db2.gz CVKOSXDVEDHTQQ-ZDUSSCGKSA-N 1 0 384.929 2.912 20 0 GFADRO COCC[NH2+]C1CCN(C(=O)N[C@H]2COc3c2ccc(Cl)c3Cl)CC1 ZINC000564801779 564249752 /nfs/dbraw/zinc/24/97/52/564249752.db2.gz HDKCQHHYLPBQNT-AWEZNQCLSA-N 1 0 388.295 2.837 20 0 GFADRO COCC[N@@H+](Cc1sccc1Br)C[C@@H]1CCNC(=O)CC1 ZINC000450837171 564250300 /nfs/dbraw/zinc/25/03/00/564250300.db2.gz KZRMYZQCBQWPLJ-LBPRGKRZSA-N 1 0 375.332 2.875 20 0 GFADRO CSCC[C@@H](NC(=O)c1ccccc1Cl)C(=O)N(C)CCC[NH+](C)C ZINC000540517106 564250392 /nfs/dbraw/zinc/25/03/92/564250392.db2.gz JUWCKPBORJAKKL-MRXNPFEDSA-N 1 0 385.961 2.602 20 0 GFADRO [NH3+]C[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000564825251 564250422 /nfs/dbraw/zinc/25/04/22/564250422.db2.gz NYPMNECUQLSLMT-LRDDRELGSA-N 1 0 384.307 2.854 20 0 GFADRO COCC[C@H](NC(=O)C[NH2+]C[C@@H]1CCCO1)c1ccc(Cl)c(Cl)c1 ZINC000564837346 564251525 /nfs/dbraw/zinc/25/15/25/564251525.db2.gz QLBMSDJEIHSOOA-BBRMVZONSA-N 1 0 375.296 2.956 20 0 GFADRO CS[C@@H]1CN(CC(=O)N(C)Cc2ccc(Cl)c(Cl)c2)C[C@@H]1[NH+](C)C ZINC000540589034 564252284 /nfs/dbraw/zinc/25/22/84/564252284.db2.gz NLTIXFQVRDDIEM-JKSUJKDBSA-N 1 0 390.380 2.929 20 0 GFADRO C[C@H](CNC(=O)NCC1=CC[N@H+](C)CC1)Oc1ccc(Br)cc1 ZINC000540574544 564252420 /nfs/dbraw/zinc/25/24/20/564252420.db2.gz CJDBKIZAIFDXNO-CYBMUJFWSA-N 1 0 382.302 2.778 20 0 GFADRO CN(C)C(=O)[C@@H]1CCC[C@H]([NH2+]C[C@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000564855867 564252642 /nfs/dbraw/zinc/25/26/42/564252642.db2.gz HRHXLBBWGLDALO-SNPRPXQTSA-N 1 0 389.323 2.970 20 0 GFADRO COc1cc(C[C@@H](CO)C[NH2+]Cc2ccc(Br)cn2)cc(OC)c1 ZINC000540612819 564253479 /nfs/dbraw/zinc/25/34/79/564253479.db2.gz SMFSRAPAUIFBIH-CQSZACIVSA-N 1 0 395.297 2.802 20 0 GFADRO O=S1(=O)CC[C@]2(C1)C[C@@H]([NH2+]Cc1csc(-c3ccccc3)n1)CCO2 ZINC000540687247 564254707 /nfs/dbraw/zinc/25/47/07/564254707.db2.gz GXDQJYRQRGKEFC-MAUKXSAKSA-N 1 0 378.519 2.636 20 0 GFADRO O=C1N=NC(C2CC[NH+](CCOc3cc(F)cc(Br)c3)CC2)O1 ZINC000450920540 564255268 /nfs/dbraw/zinc/25/52/68/564255268.db2.gz YHDUSWDIPPMEED-UHFFFAOYSA-N 1 0 386.221 2.935 20 0 GFADRO C[NH+](C)[C@@H](CNS(=O)(=O)c1cncc(Br)c1)C1CCCCC1 ZINC000473916922 564256445 /nfs/dbraw/zinc/25/64/45/564256445.db2.gz ADXPRHBCGJGDCK-HNNXBMFYSA-N 1 0 390.347 2.633 20 0 GFADRO CC[C@@H](C)OCC(=O)Nc1cc(Br)ccc1N1CC[NH+](C)CC1 ZINC000508154378 564256621 /nfs/dbraw/zinc/25/66/21/564256621.db2.gz INABHFNMJXMPIG-CYBMUJFWSA-N 1 0 384.318 2.955 20 0 GFADRO CC[C@H](c1ccc(Br)cc1)N1CCN(C(=O)C[NH2+]C2CC2)CC1 ZINC000564922273 564257034 /nfs/dbraw/zinc/25/70/34/564257034.db2.gz PMGHVTJKOYAICB-QGZVFWFLSA-N 1 0 380.330 2.796 20 0 GFADRO CC(C)(CNC(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1)c1ccccc1Br ZINC000564934700 564257795 /nfs/dbraw/zinc/25/77/95/564257795.db2.gz ZKEFXYKSVAVTPW-LBPRGKRZSA-N 1 0 391.313 2.957 20 0 GFADRO O=C(c1ccc(I)cc1)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000564942160 564257898 /nfs/dbraw/zinc/25/78/98/564257898.db2.gz ITUFJSLIUIYATL-ZIAGYGMSSA-N 1 0 384.261 2.753 20 0 GFADRO COc1cc(C)nc(C[NH2+]CCNC(=O)c2cccc(Br)c2)c1 ZINC000540810787 564257834 /nfs/dbraw/zinc/25/78/34/564257834.db2.gz BHUXOBLYFGTONI-UHFFFAOYSA-N 1 0 378.270 2.681 20 0 GFADRO CCC(CC)[C@H](CNS(=O)(=O)c1ccc(Cl)cc1C(=O)OC)[NH+](C)C ZINC000473931765 564257967 /nfs/dbraw/zinc/25/79/67/564257967.db2.gz JBPQUDCDRLVMJD-HNNXBMFYSA-N 1 0 390.933 2.771 20 0 GFADRO Cc1ccc(CC(=O)N2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)c(Br)c1 ZINC000450970377 564258230 /nfs/dbraw/zinc/25/82/30/564258230.db2.gz QDKGEXRQEQLYPK-AWEZNQCLSA-N 1 0 383.330 2.604 20 0 GFADRO [NH3+]C1(CNC(=O)c2nnn(-c3ccc(Br)cc3)c2C2CC2)CCC1 ZINC000564931119 564258402 /nfs/dbraw/zinc/25/84/02/564258402.db2.gz ANKFZKZKWZNDHW-UHFFFAOYSA-N 1 0 390.285 2.518 20 0 GFADRO Cc1ccc(Br)cc1C[N@H+]1CCC[C@@H](CN(C)S(C)(=O)=O)C1 ZINC000450976470 564258769 /nfs/dbraw/zinc/25/87/69/564258769.db2.gz QPNIWJRZYQJALV-AWEZNQCLSA-N 1 0 389.359 2.861 20 0 GFADRO CN(C)S(=O)(=O)[C@@H]1C[N@H+](CC/C=C\c2ccccc2)C[C@H]1C(F)(F)F ZINC000450990227 564260299 /nfs/dbraw/zinc/26/02/99/564260299.db2.gz GRRCOERCIXJHMV-KETLTQCKSA-N 1 0 376.444 2.844 20 0 GFADRO C[C@H](NC(=O)NCCOc1ccc(Br)cc1)C1=CC[N@H+](C)CC1 ZINC000540965427 564261311 /nfs/dbraw/zinc/26/13/11/564261311.db2.gz QSGUVHWWMYVYIF-ZDUSSCGKSA-N 1 0 382.302 2.778 20 0 GFADRO CCC[C@H](C)[C@H](CO)[NH2+][C@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000565089899 564265791 /nfs/dbraw/zinc/26/57/91/564265791.db2.gz UZKOADYVPRHQGR-WDMOLILDSA-N 1 0 393.347 2.544 20 0 GFADRO C[NH+](C)CCn1nccc1NS(=O)(=O)Cc1ccc(Cl)cc1Cl ZINC000451043528 564266561 /nfs/dbraw/zinc/26/65/61/564266561.db2.gz HRXQBYKYYSDJEK-UHFFFAOYSA-N 1 0 377.297 2.693 20 0 GFADRO C[C@H]1CCC[N@H+](CCNS(=O)(=O)Cc2ccc(Br)c(F)c2)C1 ZINC000451054180 564268053 /nfs/dbraw/zinc/26/80/53/564268053.db2.gz HTKCBLGFJNGIMY-LBPRGKRZSA-N 1 0 393.322 2.740 20 0 GFADRO CN(C(=O)N[C@H]1COc2cc(F)c(Br)cc21)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000508646685 564268353 /nfs/dbraw/zinc/26/83/53/564268353.db2.gz DTERUEBBWHAJJG-ABAIWWIYSA-N 1 0 398.276 2.900 20 0 GFADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)N[C@H]3COc4cc(F)c(Br)cc43)[C@H]2C1 ZINC000508656062 564269713 /nfs/dbraw/zinc/26/97/13/564269713.db2.gz XHCQXPJKFDPPAH-ONERCXAPSA-N 1 0 398.276 2.757 20 0 GFADRO NC(=O)[C@@H]1CCCN1CCC[NH2+][C@@H]1CCCc2c(Br)cccc21 ZINC000541222906 564269874 /nfs/dbraw/zinc/26/98/74/564269874.db2.gz MPBOYGHLKUQVOZ-SJORKVTESA-N 1 0 380.330 2.756 20 0 GFADRO NC(=O)[C@H]1CCCN1CCC[NH2+][C@H]1CCCc2c(Br)cccc21 ZINC000541222902 564270036 /nfs/dbraw/zinc/27/00/36/564270036.db2.gz MPBOYGHLKUQVOZ-DLBZAZTESA-N 1 0 380.330 2.756 20 0 GFADRO C[C@H]1CN(C[C@@H](O)COc2ccc(Br)cc2)CC[N@@H+](C2CC2)C1 ZINC000451079588 564271046 /nfs/dbraw/zinc/27/10/46/564271046.db2.gz IFPYMJPUEKADJU-WMLDXEAASA-N 1 0 383.330 2.605 20 0 GFADRO C[C@H]1CCC[N@H+](CCNC(=O)NCCOc2ncc(Cl)cc2Cl)C1 ZINC000474252783 564271693 /nfs/dbraw/zinc/27/16/93/564271693.db2.gz UAFFPGRLOFQCMX-LBPRGKRZSA-N 1 0 375.300 2.798 20 0 GFADRO CC(C)[NH+]1CCN(c2nnc(-c3cc(F)ccc3Br)n2C)CC1 ZINC000508778146 564272066 /nfs/dbraw/zinc/27/20/66/564272066.db2.gz KBRHXPJYGFJTRF-UHFFFAOYSA-N 1 0 382.281 2.914 20 0 GFADRO CC[N@H+](CCNS(=O)(=O)c1c(Cl)cc(Cl)cc1C(=O)OC)C1CC1 ZINC000508759934 564272451 /nfs/dbraw/zinc/27/24/51/564272451.db2.gz XOWDBUQMSTWKRE-UHFFFAOYSA-N 1 0 395.308 2.543 20 0 GFADRO CN1CCN(C(=O)CC[NH2+]Cc2csc3c2cccc3Br)CC1 ZINC000565238398 564272726 /nfs/dbraw/zinc/27/27/26/564272726.db2.gz PAFWVIQIEGXSSM-UHFFFAOYSA-N 1 0 396.354 2.918 20 0 GFADRO C[NH+](C)C[C@H](Cc1ccccc1)NS(=O)(=O)CCc1cccc(Cl)c1 ZINC000508804960 564273298 /nfs/dbraw/zinc/27/32/98/564273298.db2.gz DSTGQJGARWAFPM-IBGZPJMESA-N 1 0 380.941 2.975 20 0 GFADRO C[C@H](CC[NH2+]Cc1ccc(Br)cc1N1CCOCC1)[S@@](C)=O ZINC000474356647 564275859 /nfs/dbraw/zinc/27/58/59/564275859.db2.gz RHXAOQLSKFVYFL-MCMMXHMISA-N 1 0 389.359 2.532 20 0 GFADRO C[C@@H](C(=O)N(C)CCOc1ccc(Cl)cc1)N1CC[C@H](OC(F)F)C1 ZINC000565316388 564275945 /nfs/dbraw/zinc/27/59/45/564275945.db2.gz AQPWRXYBXYRBRE-WFASDCNBSA-N 1 0 376.831 2.879 20 0 GFADRO Cc1nc2sccn2c(=O)c1CC[N@H+](C[C@H]1CCCO1)[C@H]1CCSC1 ZINC000509006133 564279053 /nfs/dbraw/zinc/27/90/53/564279053.db2.gz HNLRGNVHYSLCDS-LSDHHAIUSA-N 1 0 379.551 2.593 20 0 GFADRO C[C@H](CCc1ccc(I)cc1)[NH2+]Cc1nnc2n1CCC2 ZINC000474469786 564279542 /nfs/dbraw/zinc/27/95/42/564279542.db2.gz HUJMZQVHFBDCAR-GFCCVEGCSA-N 1 0 396.276 2.940 20 0 GFADRO C[C@@H](CCC(F)(F)F)[NH2+]Cc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000541536828 564282650 /nfs/dbraw/zinc/28/26/50/564282650.db2.gz QGKJSHZWYBUHHA-ZDUSSCGKSA-N 1 0 380.432 2.528 20 0 GFADRO CC[NH+]1CCC(N(C)C(=O)COc2ccc(Br)cc2C(C)=O)CC1 ZINC000509152413 564283331 /nfs/dbraw/zinc/28/33/31/564283331.db2.gz LVGFAGSUIZAUFL-UHFFFAOYSA-N 1 0 397.313 2.973 20 0 GFADRO C[C@H](CCc1ccc(I)cc1)[NH2+]C[C@H]1COCCO1 ZINC000474628047 564284299 /nfs/dbraw/zinc/28/42/99/564284299.db2.gz IBPBGRLOQACHNG-DOMZBBRYSA-N 1 0 375.250 2.617 20 0 GFADRO CCN(C(=O)[C@H](C)[NH2+][C@H](CC(C)C)c1cccs1)[C@@H]1CCS(=O)(=O)C1 ZINC000541626331 564284972 /nfs/dbraw/zinc/28/49/72/564284972.db2.gz BJYCFQNLBWBTAD-ARFHVFGLSA-N 1 0 386.583 2.849 20 0 GFADRO CCN(C(=O)[C@H](C)[NH2+][C@@H](CC(C)C)c1cccs1)[C@H]1CCS(=O)(=O)C1 ZINC000541626333 564285435 /nfs/dbraw/zinc/28/54/35/564285435.db2.gz BJYCFQNLBWBTAD-JYJNAYRXSA-N 1 0 386.583 2.849 20 0 GFADRO CCOC[C@H](O)C[N@@H+]1CC[C@H](Cc2cccc(I)c2)C1 ZINC000451195725 564285549 /nfs/dbraw/zinc/28/55/49/564285549.db2.gz UZTKEXQKWZOIIC-GDBMZVCRSA-N 1 0 389.277 2.553 20 0 GFADRO C[C@H](CCc1ccc(I)cc1)[NH2+][C@@H](C)CS(C)(=O)=O ZINC000474719689 564286563 /nfs/dbraw/zinc/28/65/63/564286563.db2.gz MMLDUOCKWHPALG-NEPJUHHUSA-N 1 0 395.306 2.635 20 0 GFADRO CCn1nccc1N1CCC[C@@H]([NH2+][C@@H](C)c2cncc(Br)c2)C1=O ZINC000565548810 564286475 /nfs/dbraw/zinc/28/64/75/564286475.db2.gz IQVNEJGFKAHTCR-SWLSCSKDSA-N 1 0 392.301 2.907 20 0 GFADRO CC[N@H+](CCNC(=O)c1cc(I)ccc1F)C1CC1 ZINC000474711000 564286576 /nfs/dbraw/zinc/28/65/76/564286576.db2.gz ZPTHGTBVZJJRTA-UHFFFAOYSA-N 1 0 376.213 2.644 20 0 GFADRO COC[C@@]1(C)CC[N@H+](C[C@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000451200579 564286652 /nfs/dbraw/zinc/28/66/52/564286652.db2.gz HYTKOZAMLKDLSO-HOCLYGCPSA-N 1 0 376.266 2.686 20 0 GFADRO CC[NH+](CC)CCOCCNC(=O)N[C@@H]1C[C@@H]1c1cccc(Br)c1 ZINC000541818193 564289741 /nfs/dbraw/zinc/28/97/41/564289741.db2.gz YKISLYQZURJUQK-IAGOWNOFSA-N 1 0 398.345 2.963 20 0 GFADRO CNC(=O)[C@H]1CCC[C@H]1[NH2+]Cc1c(F)ccc(I)c1F ZINC000474877274 564292098 /nfs/dbraw/zinc/29/20/98/564292098.db2.gz GAOPGUHFCZQSMR-QPUJVOFHSA-N 1 0 394.203 2.574 20 0 GFADRO CN(C)S(=O)(=O)CC[NH+]1CCC(OCc2ccc(Cl)c(Cl)c2)CC1 ZINC000509331318 564292880 /nfs/dbraw/zinc/29/28/80/564292880.db2.gz MMBTVTAXALBANI-UHFFFAOYSA-N 1 0 395.352 2.866 20 0 GFADRO C[C@@H](CCc1ccc(I)cc1)[NH2+][C@H](CO)c1cnn(C)c1 ZINC000474894566 564293061 /nfs/dbraw/zinc/29/30/61/564293061.db2.gz SNMNKXOLWGDOQH-BLLLJJGKSA-N 1 0 399.276 2.669 20 0 GFADRO CC[C@H]1[C@H](CO)CC[N@@H+]1CC(=O)N(C)Cc1cc(Br)cs1 ZINC000451260874 564293376 /nfs/dbraw/zinc/29/33/76/564293376.db2.gz VCWWUCCQHMHJHO-FZMZJTMJSA-N 1 0 375.332 2.562 20 0 GFADRO C[C@H]([NH2+][C@@H](CCO)c1ccccc1Br)C1CCS(=O)(=O)CC1 ZINC000474947450 564294519 /nfs/dbraw/zinc/29/45/19/564294519.db2.gz PNQLFBGBPDRHBM-LRDDRELGSA-N 1 0 390.343 2.676 20 0 GFADRO CN(CCOc1ccc(Br)cc1)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000565775769 564296001 /nfs/dbraw/zinc/29/60/01/564296001.db2.gz ZBEBLRQRQNSSNN-OALUTQOASA-N 1 0 393.325 2.691 20 0 GFADRO CC[N@H+](CCO)CCNC(=O)Nc1cnn(-c2ccc(Cl)cc2Cl)c1 ZINC000474984642 564296470 /nfs/dbraw/zinc/29/64/70/564296470.db2.gz RDPDEBHBEBIYNT-UHFFFAOYSA-N 1 0 386.283 2.615 20 0 GFADRO COC[C@@H](C)OC[C@@H](O)C[NH+]1CCC(c2nc(C(F)(F)F)cs2)CC1 ZINC000451292118 564296636 /nfs/dbraw/zinc/29/66/36/564296636.db2.gz BZQVLZLORMPENO-YPMHNXCESA-N 1 0 382.448 2.754 20 0 GFADRO Cc1csc(S(=O)(=O)N2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC000451291360 564296952 /nfs/dbraw/zinc/29/69/52/564296952.db2.gz OAMGYXTWHDZOQL-IYBDPMFKSA-N 1 0 386.583 2.957 20 0 GFADRO Cc1ccccc1[C@H](CO)[NH2+]C[C@H](O)COc1ccc(Br)cc1 ZINC000541980732 564297411 /nfs/dbraw/zinc/29/74/11/564297411.db2.gz KTMVFYPKAOPKID-YJBOKZPZSA-N 1 0 380.282 2.820 20 0 GFADRO C[C@@H](C[NH2+]CCNS(=O)(=O)c1ccc(F)cc1Cl)CC1CCOCC1 ZINC000509410827 564297833 /nfs/dbraw/zinc/29/78/33/564297833.db2.gz OWLQOKZTSBRVJD-CYBMUJFWSA-N 1 0 392.924 2.800 20 0 GFADRO C[N@@H+]1CC[C@@H]2CCN(Cc3ccc(Br)cc3N3CCOCC3)[C@@H]2C1 ZINC000475103805 564300817 /nfs/dbraw/zinc/30/08/17/564300817.db2.gz NKLSKJHYLRRKOE-DNVCBOLYSA-N 1 0 394.357 2.812 20 0 GFADRO COC[C@@]1(C(=O)OC)CC[N@H+](CCC(=O)Nc2c(Cl)cccc2Cl)C1 ZINC000451336058 564301994 /nfs/dbraw/zinc/30/19/94/564301994.db2.gz ORAKRJPZKPMDLW-QGZVFWFLSA-N 1 0 389.279 2.834 20 0 GFADRO COc1cccc(C[C@H](C)[NH2+]CCNC(=O)c2ccc(Br)cc2)n1 ZINC000542142111 564302483 /nfs/dbraw/zinc/30/24/83/564302483.db2.gz LSSCAJIXXDHIOD-ZDUSSCGKSA-N 1 0 392.297 2.803 20 0 GFADRO O=C(NCC[C@@H]1CC[NH2+]C1)N1CCO[C@H](c2cccc(Br)c2)C1 ZINC000565941269 564303562 /nfs/dbraw/zinc/30/35/62/564303562.db2.gz XMXNXZAJJHSZFB-BBRMVZONSA-N 1 0 382.302 2.532 20 0 GFADRO CC[NH+]1CCC(CNC(=O)c2cc(Br)cc(C(=O)OC)c2)CC1 ZINC000565982243 564304938 /nfs/dbraw/zinc/30/49/38/564304938.db2.gz BWDVETWPCNEGLS-UHFFFAOYSA-N 1 0 383.286 2.697 20 0 GFADRO CCC[N@H+](C)[C@@H](CNS(=O)(=O)c1c(C)cnn1C)c1ccc(Cl)cc1 ZINC000509627243 564305937 /nfs/dbraw/zinc/30/59/37/564305937.db2.gz XKYYNPKZYYTFTF-INIZCTEOSA-N 1 0 384.933 2.743 20 0 GFADRO CC(C)[C@@H]([NH2+]Cc1ccsc1Cl)C(=O)N(C)Cc1nnc2n1CCC2 ZINC000475354404 564306607 /nfs/dbraw/zinc/30/66/07/564306607.db2.gz YXRYGKYAHASUJM-OAHLLOKOSA-N 1 0 381.933 2.712 20 0 GFADRO C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000509656658 564308233 /nfs/dbraw/zinc/30/82/33/564308233.db2.gz JHBLXKRWEQHLAN-YRGRVCCFSA-N 1 0 384.307 2.897 20 0 GFADRO COc1ccc(C(=O)N2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)c(Br)c1 ZINC000566093694 564308384 /nfs/dbraw/zinc/30/83/84/564308384.db2.gz HWOZOTZYIMVRLO-DYVFJYSZSA-N 1 0 397.313 2.816 20 0 GFADRO COc1ccc(C(=O)N2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)c(Br)c1 ZINC000566093690 564308588 /nfs/dbraw/zinc/30/85/88/564308588.db2.gz HWOZOTZYIMVRLO-CXAGYDPISA-N 1 0 397.313 2.816 20 0 GFADRO C[C@H](Oc1ccc(F)cc1Br)C(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000566102100 564309820 /nfs/dbraw/zinc/30/98/20/564309820.db2.gz LRZGXVKBSCLXCH-YVEFUNNKSA-N 1 0 385.277 2.958 20 0 GFADRO COc1cc(Br)c(C[NH2+]C[C@H](O)CCOC(C)C)cc1OC ZINC000566110211 564310984 /nfs/dbraw/zinc/31/09/84/564310984.db2.gz HIRPDLKHVIDTHK-CYBMUJFWSA-N 1 0 376.291 2.732 20 0 GFADRO C[NH+](C)CCOCCNC(=O)CCc1cc(Cl)ccc1Br ZINC000542458003 564313110 /nfs/dbraw/zinc/31/31/10/564313110.db2.gz YKCJJGBXNMKUTL-UHFFFAOYSA-N 1 0 377.710 2.730 20 0 GFADRO O=C([C@@H]1C[N@@H+]2CCN1CCC2)N1CCC[C@H]1c1ccc(Br)s1 ZINC000542458856 564313554 /nfs/dbraw/zinc/31/35/54/564313554.db2.gz QMNJLQOMOINLPX-STQMWFEESA-N 1 0 384.343 2.564 20 0 GFADRO C[C@@H](Sc1ccc(Br)cc1)C(=O)NCCOCC[NH+](C)C ZINC000542458762 564313565 /nfs/dbraw/zinc/31/35/65/564313565.db2.gz SVMDSWMEBJQDTP-GFCCVEGCSA-N 1 0 375.332 2.624 20 0 GFADRO Cc1cc(NC(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)[C@H]2C)ccc1Br ZINC000509794097 564313693 /nfs/dbraw/zinc/31/36/93/564313693.db2.gz PUSFFDXLEIMGCS-CZUORRHYSA-N 1 0 394.313 2.781 20 0 GFADRO CC(=O)N1CC[C@H](C[N@@H+](C)Cc2cnc3c(C)cc(Br)cn23)C1 ZINC000542465666 564314066 /nfs/dbraw/zinc/31/40/66/564314066.db2.gz IEUVUUZCNANYFU-CQSZACIVSA-N 1 0 379.302 2.705 20 0 GFADRO C[C@]([NH3+])(C(=O)N1CC[C@@H](C2CCOCC2)C1)c1ccc(Br)cc1 ZINC000566191684 564315466 /nfs/dbraw/zinc/31/54/66/564315466.db2.gz TVMKJVQDYGDSBX-RDTXWAMCSA-N 1 0 381.314 2.898 20 0 GFADRO [NH3+][C@@H](CC1CCCCC1)C(=O)NCc1nc2cc(Br)cnc2[nH]1 ZINC000566181121 564315535 /nfs/dbraw/zinc/31/55/35/564315535.db2.gz WXGJDKNKJWJJPK-LBPRGKRZSA-N 1 0 380.290 2.634 20 0 GFADRO CCC[C@H]1C[NH2+]CCN1C(=O)Cc1csc(NC(=O)c2cccs2)n1 ZINC000566206485 564316352 /nfs/dbraw/zinc/31/63/52/564316352.db2.gz BUNCTRBTSKCKLE-ZDUSSCGKSA-N 1 0 378.523 2.600 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCN(S(=O)(=O)Cc2cc(Cl)ccc2Br)C1 ZINC000566224304 564316810 /nfs/dbraw/zinc/31/68/10/564316810.db2.gz XAQSWNXIFPFVMV-UWVGGRQHSA-N 1 0 381.723 2.601 20 0 GFADRO Cc1ccsc1[C@@H](Cc1ccccc1)[NH2+]CC1(O)CCS(=O)(=O)CC1 ZINC000542527817 564316831 /nfs/dbraw/zinc/31/68/31/564316831.db2.gz YKLSFSJSJUAKRY-QGZVFWFLSA-N 1 0 379.547 2.870 20 0 GFADRO CN1CCO[C@@H](CSCC(=O)Nc2nc(-c3ccc(F)cc3)cs2)C1 ZINC000566215244 564317415 /nfs/dbraw/zinc/31/74/15/564317415.db2.gz ZVDHRTXKFWMRQM-CQSZACIVSA-N 1 0 381.498 2.952 20 0 GFADRO C[C@H]1CCCC[C@]1(C[NH3+])NS(=O)(=O)Cc1cccc(Br)c1 ZINC000566225614 564317956 /nfs/dbraw/zinc/31/79/56/564317956.db2.gz YNWBGOZHIRLAHW-SWLSCSKDSA-N 1 0 375.332 2.776 20 0 GFADRO CO[C@]1(C)C[C@H]([NH2+]Cc2nnnn2-c2ccccc2Br)C1(C)C ZINC000451481962 564318032 /nfs/dbraw/zinc/31/80/32/564318032.db2.gz BWAVHSNCAHHYBB-XJKSGUPXSA-N 1 0 380.290 2.718 20 0 GFADRO Cc1cc(I)ccc1NC(=O)C[NH2+][C@@H](C)c1cnn(C)c1 ZINC000542573884 564318600 /nfs/dbraw/zinc/31/86/00/564318600.db2.gz LDKJUUMRCCTTHL-NSHDSACASA-N 1 0 398.248 2.622 20 0 GFADRO CN(Cc1ccccc1Br)C(=O)C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000451499148 564319963 /nfs/dbraw/zinc/31/99/63/564319963.db2.gz MHHBSGGGOKRZMO-OLMNPRSZSA-N 1 0 393.325 2.955 20 0 GFADRO CCOCCOc1ccc(Br)cc1NC(=O)N1CC([NH+](C)C)C1 ZINC000542685594 564321364 /nfs/dbraw/zinc/32/13/64/564321364.db2.gz LOGKZPQUMGBCPJ-UHFFFAOYSA-N 1 0 386.290 2.642 20 0 GFADRO CCN(CCC[NH+](C)C)S(=O)(=O)c1c(Cl)cc(Cl)cc1C(=O)OC ZINC000510017956 564322043 /nfs/dbraw/zinc/32/20/43/564322043.db2.gz GEMAPOQWDVPIFL-UHFFFAOYSA-N 1 0 397.324 2.742 20 0 GFADRO CCC(C)(C)[NH2+][C@H](C)C(=O)NCCCNC(=O)c1cccc(Br)c1 ZINC000475924718 564324703 /nfs/dbraw/zinc/32/47/03/564324703.db2.gz FBAMWXQAOYSVIV-CYBMUJFWSA-N 1 0 398.345 2.852 20 0 GFADRO COCCCN(C1CC[NH+](C)CC1)S(=O)(=O)C[C@H]1CCCCC1(F)F ZINC000451563765 564325513 /nfs/dbraw/zinc/32/55/13/564325513.db2.gz FIOHRRMISJKPMG-OAHLLOKOSA-N 1 0 382.517 2.574 20 0 GFADRO C[NH+](C)CCCOc1cnccc1CNS(=O)(=O)c1sccc1Cl ZINC000451559125 564325677 /nfs/dbraw/zinc/32/56/77/564325677.db2.gz RYNXARHRQMIVCA-UHFFFAOYSA-N 1 0 389.930 2.606 20 0 GFADRO Cc1cc(NC(=O)CC[N@@H+]2CC[C@H](c3cccc(Br)c3)C2)no1 ZINC000451565357 564325867 /nfs/dbraw/zinc/32/58/67/564325867.db2.gz HVAVRHNNJAAJOM-AWEZNQCLSA-N 1 0 378.270 3.564 20 0 GFADRO C[C@@H](NC(=O)[C@H](C)NC(=O)c1cccc(Cl)c1Cl)C1=CC[N@H+](C)CC1 ZINC000542826069 564327973 /nfs/dbraw/zinc/32/79/73/564327973.db2.gz KTNKNUICEVPYEU-NEPJUHHUSA-N 1 0 384.307 2.878 20 0 GFADRO OC[C@@H]([C@H]([NH2+]Cc1nnc(-c2ccc(Br)o2)o1)C1CC1)C1CC1 ZINC000451584564 564328765 /nfs/dbraw/zinc/32/87/65/564328765.db2.gz BJJUVHHUSYPWKO-IAQYHMDHSA-N 1 0 382.258 2.979 20 0 GFADRO C[C@@H]1CCCC[C@H]1[NH+]1CCC(NCCNS(=O)(=O)c2cccs2)CC1 ZINC000542842720 564328876 /nfs/dbraw/zinc/32/88/76/564328876.db2.gz XITGXUGLXUSIHM-NVXWUHKLSA-N 1 0 385.599 2.659 20 0 GFADRO C[N@@H+]1CC[C@H]2OCCN(C(=O)c3cc4c(Br)cccc4cn3)[C@H]2C1 ZINC000451591189 564329466 /nfs/dbraw/zinc/32/94/66/564329466.db2.gz AETLOGRFCNDLAW-DLBZAZTESA-N 1 0 390.281 2.542 20 0 GFADRO CCOC(=O)[C@H](c1ccc(Br)cc1F)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000451627589 564332911 /nfs/dbraw/zinc/33/29/11/564332911.db2.gz YEEIBCNWDXZCDN-XZJROXQQSA-N 1 0 385.277 2.828 20 0 GFADRO C[C@H](NC(=O)CN1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1)c1ccc(Cl)cc1Cl ZINC000451652555 564336206 /nfs/dbraw/zinc/33/62/06/564336206.db2.gz JYHKFZKLRXLVJH-MJBXVCDLSA-N 1 0 388.339 2.558 20 0 GFADRO CCN1CC[NH+](C[C@H](C)CNC(=O)c2c(C)cccc2Br)CC1 ZINC000566652282 564336489 /nfs/dbraw/zinc/33/64/89/564336489.db2.gz MKARBBSUYSEOBA-CQSZACIVSA-N 1 0 382.346 2.761 20 0 GFADRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1S(=O)(=O)c1cc(F)ccc1Br ZINC000510522145 564336725 /nfs/dbraw/zinc/33/67/25/564336725.db2.gz GTXPXXOSTULPOK-YPMHNXCESA-N 1 0 391.306 2.836 20 0 GFADRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1S(=O)(=O)c1ccccc1OC(F)(F)F ZINC000510538487 564337283 /nfs/dbraw/zinc/33/72/83/564337283.db2.gz MWRAEJSGDPVMEN-QWHCGFSZSA-N 1 0 378.416 2.833 20 0 GFADRO CS(=O)(=O)N[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccccc1OCC(F)(F)F ZINC000510762105 564346773 /nfs/dbraw/zinc/34/67/73/564346773.db2.gz HROHJPFBGLDLLW-UONOGXRCSA-N 1 0 380.432 2.578 20 0 GFADRO CCC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1cc(Br)sc1C ZINC000510992282 564353075 /nfs/dbraw/zinc/35/30/75/564353075.db2.gz ABLKLWBOGWZTRP-NSHDSACASA-N 1 0 381.361 2.972 20 0 GFADRO CC1(C)COC[C@H]1[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000451813757 564354303 /nfs/dbraw/zinc/35/43/03/564354303.db2.gz VYFOJWJHFKKROX-BXUZGUMPSA-N 1 0 378.694 2.857 20 0 GFADRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)Nc1nnc(-c2c(F)cccc2Cl)s1 ZINC000567040181 564354550 /nfs/dbraw/zinc/35/45/50/564354550.db2.gz LBDLUUDTMVCOAC-JTQLQIEISA-N 1 0 383.880 3.556 20 0 GFADRO C[C@H](O)C[N@@H+]1CCN(C(=O)CCOc2ccc(Cl)cc2Cl)[C@@H](C)C1 ZINC000476855364 564355600 /nfs/dbraw/zinc/35/56/00/564355600.db2.gz SPGUOCGFXOVYFD-STQMWFEESA-N 1 0 375.296 2.676 20 0 GFADRO C[NH+](C)Cc1ccc(S(=O)(=O)N[C@H](CO)c2cccc(Cl)c2F)cc1 ZINC000543623366 564356332 /nfs/dbraw/zinc/35/63/32/564356332.db2.gz AJSWKXVXDVTYOH-MRXNPFEDSA-N 1 0 386.876 2.553 20 0 GFADRO CC1CC[NH+](CCCCNC(=O)c2c(Cl)cccc2S(C)(=O)=O)CC1 ZINC000476932552 564359265 /nfs/dbraw/zinc/35/92/65/564359265.db2.gz PPUFDVNMOPJIHX-UHFFFAOYSA-N 1 0 386.945 2.985 20 0 GFADRO O=S(=O)(CC[NH2+][C@@H](CO)CC1CCCC1)c1cccc(Br)c1 ZINC000567166884 564360253 /nfs/dbraw/zinc/36/02/53/564360253.db2.gz VCZXPRAVXMSGTI-OAHLLOKOSA-N 1 0 390.343 2.754 20 0 GFADRO CN(CCC(=O)Nc1ccc(NS(C)(=O)=O)c(Cl)c1)c1cc[nH+]cc1 ZINC000543710358 564360767 /nfs/dbraw/zinc/36/07/67/564360767.db2.gz DYLSVYPWCDPPKW-UHFFFAOYSA-N 1 0 382.873 2.572 20 0 GFADRO C[C@H]1CSc2ccc(Br)cc2[C@@H]1[NH2+]CCNC(=O)c1ccn[nH]1 ZINC000543740286 564362184 /nfs/dbraw/zinc/36/21/84/564362184.db2.gz RGUGOQFVPWODMD-ZUZCIYMTSA-N 1 0 395.326 2.975 20 0 GFADRO Cc1cccc(S(=O)(=O)N[C@@H](c2nccn2C)C2CC2)c1Br ZINC000511229916 564362876 /nfs/dbraw/zinc/36/28/76/564362876.db2.gz AZZHLYMPMUXPRW-CQSZACIVSA-N 1 0 384.299 2.921 20 0 GFADRO O[C@@H](COc1cc(F)cc(Br)c1)C[N@@H+]1CCC[C@@]2(CCOC2)C1 ZINC000451906111 564364229 /nfs/dbraw/zinc/36/42/29/564364229.db2.gz DZOSYCITPVLBLW-NVXWUHKLSA-N 1 0 388.277 2.830 20 0 GFADRO Cc1cc(C)c(C(=O)N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)cc1I ZINC000477100524 564364377 /nfs/dbraw/zinc/36/43/77/564364377.db2.gz MLACTHOWLMDGGN-BETUJISGSA-N 1 0 384.261 2.542 20 0 GFADRO COc1ccc(Cl)c(S(=O)(=O)N2C[C@@H]([NH+]3CCCC3)[C@@H](SC)C2)c1 ZINC000477136641 564366518 /nfs/dbraw/zinc/36/65/18/564366518.db2.gz LXRCHNPKDNSLOM-CABCVRRESA-N 1 0 390.958 2.549 20 0 GFADRO CC[C@@H]([NH3+])CNC(=O)c1nn(-c2cccc(Br)c2)c2c1CCC2 ZINC000567351375 564367912 /nfs/dbraw/zinc/36/79/12/564367912.db2.gz KRBFYFBCDFZIGN-GFCCVEGCSA-N 1 0 377.286 2.591 20 0 GFADRO C[C@@H](CC[NH3+])NC(=O)c1nn(-c2ccc(Br)cc2)c2c1CCCC2 ZINC000477194187 564369084 /nfs/dbraw/zinc/36/90/84/564369084.db2.gz XYRMVGUPNOFQJB-LBPRGKRZSA-N 1 0 391.313 2.981 20 0 GFADRO [NH3+]Cc1cn([C@H]2CCCN(C(=O)CCSc3ccccc3Cl)C2)nn1 ZINC000567375560 564369171 /nfs/dbraw/zinc/36/91/71/564369171.db2.gz QIPHZWUWOTXLDA-AWEZNQCLSA-N 1 0 379.917 2.736 20 0 GFADRO COC[C@]1(CO)CCN(Cc2ncc(-c3ccccc3Br)o2)C1 ZINC000451934593 564369383 /nfs/dbraw/zinc/36/93/83/564369383.db2.gz VMGWNIOUOGOZMH-QGZVFWFLSA-N 1 0 381.270 2.935 20 0 GFADRO [NH3+][C@@H]1CCC[C@H](CNC(=O)c2cc(=O)c3cc(Br)ccc3[nH]2)C1 ZINC000567387687 564369851 /nfs/dbraw/zinc/36/98/51/564369851.db2.gz CVDUDNZDBFPOPT-CMPLNLGQSA-N 1 0 378.270 2.538 20 0 GFADRO C[NH+](C)[C@@H]1CCCN(C(=O)c2cc(Br)cnc2OCC2CC2)C1 ZINC000511445741 564372244 /nfs/dbraw/zinc/37/22/44/564372244.db2.gz QVJTYOVSMDDACN-CQSZACIVSA-N 1 0 382.302 2.799 20 0 GFADRO C[C@@H]1C[NH+](CCCCNC(=O)Cc2ccc(Br)cc2O)C[C@@H](C)O1 ZINC000477376529 564374973 /nfs/dbraw/zinc/37/49/73/564374973.db2.gz RHPXKBUKFGUDEL-ZIAGYGMSSA-N 1 0 399.329 2.703 20 0 GFADRO C[C@](CO)([NH2+]C[C@H](O)COc1ccccc1F)c1ccc(Br)cc1 ZINC000511548223 564375147 /nfs/dbraw/zinc/37/51/47/564375147.db2.gz XLSKCZWZWVHPSV-MAUKXSAKSA-N 1 0 398.272 2.825 20 0 GFADRO C[NH+](C)[C@]1(CNC(=O)NCc2ccsc2Br)CCSC1 ZINC000511540649 564375552 /nfs/dbraw/zinc/37/55/52/564375552.db2.gz OWKRYAWXJRNDCK-ZDUSSCGKSA-N 1 0 378.361 2.747 20 0 GFADRO Cc1ccccc1OC[C@@H](O)C[NH2+][C@@](C)(CO)c1ccc(Br)cc1 ZINC000511607219 564377916 /nfs/dbraw/zinc/37/79/16/564377916.db2.gz TYVHRDXRXRABTP-HKUYNNGSSA-N 1 0 394.309 2.995 20 0 GFADRO O=S(=O)(c1cccc(Br)c1F)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000544169069 564378320 /nfs/dbraw/zinc/37/83/20/564378320.db2.gz MUGGKHGNAQGHRT-LBPRGKRZSA-N 1 0 391.306 2.695 20 0 GFADRO O=C(CC[N@@H+]1CC[C@@H](C(F)(F)F)[C@H](CO)C1)N1CCc2sccc2C1 ZINC000511632944 564378394 /nfs/dbraw/zinc/37/83/94/564378394.db2.gz YNHXCENKFIYLRD-UONOGXRCSA-N 1 0 376.444 2.516 20 0 GFADRO C[C@H]1CCC(C)(C)[N@@H+]1CC(=O)NCC(=O)Nc1ccccc1Br ZINC000452003840 564380091 /nfs/dbraw/zinc/38/00/91/564380091.db2.gz GQXQNYGEQRMPNF-LBPRGKRZSA-N 1 0 382.302 2.767 20 0 GFADRO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(C(=O)COc2ccc(Br)cc2)CC1 ZINC000567658430 564381510 /nfs/dbraw/zinc/38/15/10/564381510.db2.gz HAYSWOCXZSJMRL-SJLPKXTDSA-N 1 0 397.313 2.573 20 0 GFADRO Cc1cc(NC(=O)COC2CC[NH2+]CC2)nn1-c1ccc(Cl)cc1Cl ZINC000567653490 564381644 /nfs/dbraw/zinc/38/16/44/564381644.db2.gz GCJBCLKYILNNOD-UHFFFAOYSA-N 1 0 383.279 3.195 20 0 GFADRO Cc1cc(C(=O)NCCOCC[NH+](C)C)nn1-c1ccc(Cl)cc1Cl ZINC000544341945 564382982 /nfs/dbraw/zinc/38/29/82/564382982.db2.gz JSZZEDGJPBISLD-UHFFFAOYSA-N 1 0 385.295 2.796 20 0 GFADRO CCN1CCCC[C@@H]1C[NH2+]CCS(=O)(=O)c1cccc(Br)c1 ZINC000567692574 564383377 /nfs/dbraw/zinc/38/33/77/564383377.db2.gz XMAVLIKUOQVGAY-OAHLLOKOSA-N 1 0 389.359 2.687 20 0 GFADRO Cc1ccc(CCC(=O)N2CCC([N@H+](C)CCCO)CC2)c(Br)c1 ZINC000477718998 564384855 /nfs/dbraw/zinc/38/48/55/564384855.db2.gz YKTKJZFCTMYKGA-UHFFFAOYSA-N 1 0 397.357 2.995 20 0 GFADRO O=C(c1ccc(-n2cc(Br)cn2)cc1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000567731471 564386523 /nfs/dbraw/zinc/38/65/23/564386523.db2.gz YUYBPJRPQARYOK-GASCZTMLSA-N 1 0 375.270 2.601 20 0 GFADRO CC[C@H]([NH2+]CC(=O)N(C)CCOc1ccc(Br)cc1)[C@@H]1CCCO1 ZINC000544458534 564387038 /nfs/dbraw/zinc/38/70/38/564387038.db2.gz IUUVUDJSPILXMS-IRXDYDNUSA-N 1 0 399.329 2.834 20 0 GFADRO CCN(Cc1ccc(Cl)s1)C(=O)C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000511969008 564388023 /nfs/dbraw/zinc/38/80/23/564388023.db2.gz BDRLXYRCQJCUIM-UHFFFAOYSA-N 1 0 383.945 2.883 20 0 GFADRO COc1ccc(CNC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c(Br)c1 ZINC000511996075 564388863 /nfs/dbraw/zinc/38/88/63/564388863.db2.gz FPLHHHBULCHKEQ-MSOLQXFVSA-N 1 0 383.330 2.925 20 0 GFADRO O=C1NCCc2ccc(C[NH2+]Cc3cnc4ccc(Br)cn34)cc21 ZINC000544597360 564389231 /nfs/dbraw/zinc/38/92/31/564389231.db2.gz BPRYDXXQPQGQEW-UHFFFAOYSA-N 1 0 385.265 2.673 20 0 GFADRO Cc1cc(F)c(NC(=O)N2CC([NH+](C)C)C2)c(I)c1 ZINC000544610163 564390381 /nfs/dbraw/zinc/39/03/81/564390381.db2.gz LIGSBGNCGCCRJX-UHFFFAOYSA-N 1 0 377.201 2.516 20 0 GFADRO COc1ccc(Br)c(S(=O)(=O)NCC[N@@H+]2CCCC2(C)C)c1 ZINC000452091379 564390619 /nfs/dbraw/zinc/39/06/19/564390619.db2.gz SPNUBRPHRIYWPP-UHFFFAOYSA-N 1 0 391.331 2.610 20 0 GFADRO CCS(=O)(=O)N1CCC(C[NH2+]Cc2ccc(F)c(C(F)(F)F)c2)CC1 ZINC000544616659 564390581 /nfs/dbraw/zinc/39/05/81/564390581.db2.gz BFMHHDKETQXPLR-UHFFFAOYSA-N 1 0 382.423 2.996 20 0 GFADRO CCOCCOC[C@@H](O)C[NH2+][C@H]1CCc2c1c(Br)ccc2F ZINC000477931837 564390717 /nfs/dbraw/zinc/39/07/17/564390717.db2.gz DBKBEEZWACMZER-NHYWBVRUSA-N 1 0 376.266 2.579 20 0 GFADRO O=C(Cc1cccc(I)c1)N1CCC2(CC[NH2+]CC2)CC1 ZINC000477939409 564391075 /nfs/dbraw/zinc/39/10/75/564391075.db2.gz AHHZDKGUEIVOQZ-UHFFFAOYSA-N 1 0 398.288 2.826 20 0 GFADRO C[NH2+]CC1CCN(C(=O)c2cn(-c3ccc(Br)cc3)cn2)CC1 ZINC000567829373 564391177 /nfs/dbraw/zinc/39/11/77/564391177.db2.gz FRRWSTYEBSBYGK-UHFFFAOYSA-N 1 0 377.286 2.706 20 0 GFADRO NC(=O)[C@H](Cc1ccccc1)[NH2+][C@@H]1CCN(c2ccccc2Br)C1 ZINC000544640817 564391314 /nfs/dbraw/zinc/39/13/14/564391314.db2.gz JJXAFYRWDVMNRZ-WBVHZDCISA-N 1 0 388.309 2.714 20 0 GFADRO OC[C@@H](C[NH2+]Cc1ncc(I)s1)Cc1ccccc1 ZINC000512084023 564391901 /nfs/dbraw/zinc/39/19/01/564391901.db2.gz NNMZUVJRDNDFDH-GFCCVEGCSA-N 1 0 388.274 2.689 20 0 GFADRO C[N@H+](CC(=O)N[C@@H]1C[C@H]1c1ccc(Br)s1)[C@@H]1CCSC1 ZINC000477996714 564393292 /nfs/dbraw/zinc/39/32/92/564393292.db2.gz VYTLRHMEYSQZDV-GMTAPVOTSA-N 1 0 375.357 2.920 20 0 GFADRO CC(C)[N@@H+]1CC[C@H](N(C)C[C@@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000452110832 564394097 /nfs/dbraw/zinc/39/40/97/564394097.db2.gz AOMTWPUERFXWLA-JKSUJKDBSA-N 1 0 389.309 2.742 20 0 GFADRO C[C@@H]1CN(C(=O)C[NH2+][C@H](CCO)c2ccc(Cl)c(Cl)c2)C[C@H](C)O1 ZINC000512185547 564394967 /nfs/dbraw/zinc/39/49/67/564394967.db2.gz JYZRVKKJTGRFMH-BFQNTYOBSA-N 1 0 375.296 2.642 20 0 GFADRO C[N@H+](CCNC(=O)[C@H](c1cc(Cl)cc(Cl)c1)N1CCOCC1)C1CC1 ZINC000512258734 564395857 /nfs/dbraw/zinc/39/58/57/564395857.db2.gz OVROOPNVOFPTIU-KRWDZBQOSA-N 1 0 386.323 2.577 20 0 GFADRO Cc1cc(F)c(Br)cc1S(=O)(=O)NCCC[NH+]1CCCC1 ZINC000478134509 564396180 /nfs/dbraw/zinc/39/61/80/564396180.db2.gz BPZGDBIUJBQVAQ-UHFFFAOYSA-N 1 0 379.295 2.661 20 0 GFADRO CC[NH+]1CCN([C@H](C)CNC(=O)[C@@H]2CCc3cc(Br)ccc32)CC1 ZINC000567938949 564396954 /nfs/dbraw/zinc/39/69/54/564396954.db2.gz MLOSEVVNHJHKBE-RDTXWAMCSA-N 1 0 394.357 2.621 20 0 GFADRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)[C@@H]3C[C@H]3c3ccc(Br)cc3)[C@H]2C1 ZINC000452156688 564397108 /nfs/dbraw/zinc/39/71/08/564397108.db2.gz WGFDKTZNXWPXBU-XWTMOSNGSA-N 1 0 393.325 2.874 20 0 GFADRO C[C@@H]1CN(C(=O)c2csc(I)c2)CC[N@@H+](C2CC2)C1 ZINC000452175313 564397938 /nfs/dbraw/zinc/39/79/38/564397938.db2.gz SPFAAHNWWHEPBZ-JTQLQIEISA-N 1 0 390.290 2.909 20 0 GFADRO Cc1[nH+]ccc(N2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)c1Cl ZINC000478272376 564398391 /nfs/dbraw/zinc/39/83/91/564398391.db2.gz KLHRXWJWEGMBFR-UHFFFAOYSA-N 1 0 387.839 2.833 20 0 GFADRO O=C(c1ccc(Br)cc1)N1CC[NH+](C[C@@H]2CCCC[C@@H]2O)CC1 ZINC000567989678 564398646 /nfs/dbraw/zinc/39/86/46/564398646.db2.gz NFXCCNZETWVTGQ-RDJZCZTQSA-N 1 0 381.314 2.758 20 0 GFADRO CCO[C@@H]1COCC[C@@H]1[NH2+][C@H](C)CC(=O)Nc1cccc(Br)c1 ZINC000544828407 564400392 /nfs/dbraw/zinc/40/03/92/564400392.db2.gz QJRGJBRPESTNAD-UHOFOFEASA-N 1 0 385.302 2.950 20 0 GFADRO C[C@@H](C[S@@](C)=O)[NH2+]C1CCC(NC(=O)COc2ccc(Cl)cc2)CC1 ZINC000512401204 564400405 /nfs/dbraw/zinc/40/04/05/564400405.db2.gz XMECJQZHGWNSHY-JPYZGYOLSA-N 1 0 386.945 2.503 20 0 GFADRO C[C@H](C[S@](C)=O)[NH2+]C1CCC(NC(=O)COc2ccc(Cl)cc2)CC1 ZINC000512401205 564400486 /nfs/dbraw/zinc/40/04/86/564400486.db2.gz XMECJQZHGWNSHY-TWEYIYPKSA-N 1 0 386.945 2.503 20 0 GFADRO Cc1cc(Br)cc(C)c1S(=O)(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000512405697 564400627 /nfs/dbraw/zinc/40/06/27/564400627.db2.gz MZXPWGWBYVROJC-ZDUSSCGKSA-N 1 0 375.332 2.638 20 0 GFADRO C[C@@H](C[NH+](C)C)NC(=O)N1CCN(CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000512426807 564401538 /nfs/dbraw/zinc/40/15/38/564401538.db2.gz NSESPDMEEXQVHF-AWEZNQCLSA-N 1 0 387.355 2.813 20 0 GFADRO O=C(C1CC[NH+]([C@H]2CCSC2)CC1)N1CCN(Cc2ccsc2)CC1 ZINC000568046793 564402031 /nfs/dbraw/zinc/40/20/31/564402031.db2.gz INUKKWRDSKBBRL-SFHVURJKSA-N 1 0 379.595 2.610 20 0 GFADRO CC[C@@H](C(=O)NCc1ccc(I)cc1Cl)[NH+](C)C ZINC000478500446 564404956 /nfs/dbraw/zinc/40/49/56/564404956.db2.gz JIIKOGLNKZTIOT-LBPRGKRZSA-N 1 0 380.657 2.901 20 0 GFADRO CS(=O)(=O)N[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(Sc2ccccn2)o1 ZINC000512563203 564405925 /nfs/dbraw/zinc/40/59/25/564405925.db2.gz CPBINPVWGGSNCG-GJZGRUSLSA-N 1 0 381.523 2.776 20 0 GFADRO CN(Cc1csc(-c2ccc(S(C)(=O)=O)cc2)n1)[C@@H]1CCC[NH2+]CC1 ZINC000478533929 564406625 /nfs/dbraw/zinc/40/66/25/564406625.db2.gz AXKCTECHOYRIQL-MRXNPFEDSA-N 1 0 379.551 2.788 20 0 GFADRO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)CCn1cc(Br)ccc1=O ZINC000452346484 564407099 /nfs/dbraw/zinc/40/70/99/564407099.db2.gz WCUOFVWPUUGCBA-INIZCTEOSA-N 1 0 398.345 2.628 20 0 GFADRO COc1ccc(Br)c([C@@H](CO)[N@H+](C)CCCc2cncn2C)c1 ZINC000568175272 564407297 /nfs/dbraw/zinc/40/72/97/564407297.db2.gz XUNCUMNHGMSQTP-QGZVFWFLSA-N 1 0 382.302 2.789 20 0 GFADRO COC(=O)C[C@](C)(NC(=O)C[N@@H+]1CC[C@@H](C)C1)c1ccc(Br)cc1 ZINC000568205483 564409186 /nfs/dbraw/zinc/40/91/86/564409186.db2.gz PEDLSFQGNSVWFD-ACJLOTCBSA-N 1 0 397.313 2.685 20 0 GFADRO O=C(NC[C@H]1CCC[N@H+]1CCCO)c1cc(F)c(Br)cc1Cl ZINC000452369844 564409382 /nfs/dbraw/zinc/40/93/82/564409382.db2.gz SFNFTVPAZXNMNK-SNVBAGLBSA-N 1 0 393.684 2.818 20 0 GFADRO C[N@@H+]1CC[C@](O)(CNC(=O)Nc2cc(Br)cc(C(F)(F)F)c2)C1 ZINC000545161968 564409756 /nfs/dbraw/zinc/40/97/56/564409756.db2.gz RJVNYUWAUYFVIH-ZDUSSCGKSA-N 1 0 396.207 2.656 20 0 GFADRO C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)NC[C@@H]1CCCC[N@@H+]1CCO ZINC000452396186 564412389 /nfs/dbraw/zinc/41/23/89/564412389.db2.gz XYDCUJLVDBFCFY-STQMWFEESA-N 1 0 375.296 2.724 20 0 GFADRO O=C(NC[C@@H]1CCCC[N@H+]1CCO)c1ccc(Br)c(Cl)c1 ZINC000452395687 564412418 /nfs/dbraw/zinc/41/24/18/564412418.db2.gz XAAIOMLVCGUAIS-LBPRGKRZSA-N 1 0 375.694 2.679 20 0 GFADRO CCC[N@@H+]1CC[C@@H](CNC(=O)NCc2cc(Br)cc3c2OCC3)C1 ZINC000545194305 564412445 /nfs/dbraw/zinc/41/24/45/564412445.db2.gz HFELJVRAYWOSNH-ZDUSSCGKSA-N 1 0 396.329 2.915 20 0 GFADRO O=C(NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1scnc1C(F)(F)F ZINC000568291937 564413381 /nfs/dbraw/zinc/41/33/81/564413381.db2.gz YOEKKULWQIVJDE-NWDGAFQWSA-N 1 0 377.432 2.660 20 0 GFADRO COCCCn1nccc1C[NH2+][C@@](C)(CO)c1ccc(Br)cc1 ZINC000512862260 564414415 /nfs/dbraw/zinc/41/44/15/564414415.db2.gz SJLBUGHTXUIDAQ-KRWDZBQOSA-N 1 0 382.302 2.679 20 0 GFADRO CCC[N@H+](CC)C[C@@H](C)NC(=O)C(=O)Nc1ccc(Br)c(F)c1 ZINC000568335693 564414661 /nfs/dbraw/zinc/41/46/61/564414661.db2.gz CQRKFGIVORUHMR-LLVKDONJSA-N 1 0 388.281 2.763 20 0 GFADRO CS(=O)(=O)N[C@H]1CCCC[C@@H]1C[NH2+]Cc1cccc(OC(F)(F)F)c1 ZINC000512864718 564414698 /nfs/dbraw/zinc/41/46/98/564414698.db2.gz OSEGCGMOGWRSQT-HIFRSBDPSA-N 1 0 380.432 2.783 20 0 GFADRO COc1ccc(C[NH2+]C[C@@H]2CCCC[C@@H]2NS(C)(=O)=O)c(Cl)c1OC ZINC000512856793 564414918 /nfs/dbraw/zinc/41/49/18/564414918.db2.gz OOVQMEFRWDRGNT-JSGCOSHPSA-N 1 0 390.933 2.555 20 0 GFADRO CC(C)OC(=O)CC[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000568382305 564416377 /nfs/dbraw/zinc/41/63/77/564416377.db2.gz XVPFBRMHCUXIHG-GFCCVEGCSA-N 1 0 394.693 2.774 20 0 GFADRO O=C(COC1CC[NH2+]CC1)Nc1nnc(SCc2ccc(F)cc2)s1 ZINC000568380707 564416634 /nfs/dbraw/zinc/41/66/34/564416634.db2.gz SZFZDUNUGOIWIL-UHFFFAOYSA-N 1 0 382.486 2.677 20 0 GFADRO CSCc1ccc(C[NH2+]Cc2cnn([C@@]3(C)CCS(=O)(=O)C3)c2)cc1 ZINC000512971310 564416716 /nfs/dbraw/zinc/41/67/16/564416716.db2.gz CVUABWAPOSJEBX-SFHVURJKSA-N 1 0 379.551 2.570 20 0 GFADRO CC[NH+](CC)CC[C@H](CO)NC(=O)c1ccc(Cl)cc1Br ZINC000568409773 564417654 /nfs/dbraw/zinc/41/76/54/564417654.db2.gz RDASVKYUEFPNJP-GFCCVEGCSA-N 1 0 377.710 2.925 20 0 GFADRO Cc1cc(Cl)ccc1S(=O)(=O)NCC[NH2+]C[C@@H](C)CC1CCOCC1 ZINC000513012003 564417709 /nfs/dbraw/zinc/41/77/09/564417709.db2.gz LKQOZYANAOKGCE-AWEZNQCLSA-N 1 0 388.961 2.969 20 0 GFADRO Cc1cc(Cl)ccc1S(=O)(=O)NCC[NH2+]Cc1ccc2c[nH]nc2c1 ZINC000513018427 564417716 /nfs/dbraw/zinc/41/77/16/564417716.db2.gz YNTYIQKFPIEEQD-UHFFFAOYSA-N 1 0 378.885 2.593 20 0 GFADRO CCO[C@@H]1C[C@H]([NH2+]Cc2cc(OC)c(O)cc2Br)[C@@]12CCCO2 ZINC000545349869 564417854 /nfs/dbraw/zinc/41/78/54/564417854.db2.gz XJMRCZLHGNWDRB-BBWFWOEESA-N 1 0 386.286 2.980 20 0 GFADRO CCCNC(=O)[C@H]1CCC[N@H+](Cc2ccc(C(=O)OC)cc2Br)C1 ZINC000568423463 564418486 /nfs/dbraw/zinc/41/84/86/564418486.db2.gz VAXYLLGLKMXAMW-HNNXBMFYSA-N 1 0 397.313 2.974 20 0 GFADRO Cc1ccc(Br)c(S(=O)(=O)NCC[NH2+][C@@H]2CC[C@@H](C)C2)c1 ZINC000513050368 564418929 /nfs/dbraw/zinc/41/89/29/564418929.db2.gz FUKKEZYHOPDALY-DGCLKSJQSA-N 1 0 375.332 2.814 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000478966874 564420624 /nfs/dbraw/zinc/42/06/24/564420624.db2.gz UVBDZISKRMQZHS-HUUCEWRRSA-N 1 0 396.329 2.939 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)C(=O)N[C@H](C)C[NH+](CC)CC ZINC000478984791 564421404 /nfs/dbraw/zinc/42/14/04/564421404.db2.gz QHQJIMMDLGYDFZ-GFCCVEGCSA-N 1 0 384.318 2.797 20 0 GFADRO CN1CCN(C(=O)CC[NH2+][C@H]2CCCc3cc(Br)ccc32)CC1 ZINC000479068868 564424308 /nfs/dbraw/zinc/42/43/08/564424308.db2.gz XOLZTVSVXMRVRG-KRWDZBQOSA-N 1 0 380.330 2.580 20 0 GFADRO CCC(CC)(NC(=O)C1CN([C@@H](C)c2cccc(Br)c2)C1)C(N)=O ZINC000513242526 564424978 /nfs/dbraw/zinc/42/49/78/564424978.db2.gz SPWOYOWWPQIDAW-LBPRGKRZSA-N 1 0 396.329 2.602 20 0 GFADRO O=C1COc2ccc(C[N@H+](CCO)Cc3cccc(Br)c3)cc2N1 ZINC000513213374 564425034 /nfs/dbraw/zinc/42/50/34/564425034.db2.gz CVIGDCYSQQVJIC-UHFFFAOYSA-N 1 0 391.265 2.775 20 0 GFADRO O[C@H](COc1cc(F)cc(Br)c1)C[N@@H+]1CC[C@H](O)C12CCCC2 ZINC000568585790 564426237 /nfs/dbraw/zinc/42/62/37/564426237.db2.gz JURVIEKPZKPIKI-HOCLYGCPSA-N 1 0 388.277 2.707 20 0 GFADRO Cn1c(=O)oc2cc(C[NH2+]CCCCn3cc(Br)cn3)ccc21 ZINC000513338739 564426913 /nfs/dbraw/zinc/42/69/13/564426913.db2.gz SDRMFASEQXDECJ-UHFFFAOYSA-N 1 0 379.258 2.661 20 0 GFADRO Cc1csc(Sc2ccc(NC(=O)C(=O)N[C@H](C)C[C@@H](C)[NH3+])cc2)n1 ZINC000568628080 564427995 /nfs/dbraw/zinc/42/79/95/564427995.db2.gz LPMVKBGURHQUPW-GHMZBOCLSA-N 1 0 378.523 2.783 20 0 GFADRO CC(C)[NH+]1CCN(C(=O)N[C@H]2CCN(c3ccccc3Br)C2)CC1 ZINC000479154431 564428419 /nfs/dbraw/zinc/42/84/19/564428419.db2.gz ACFJZUGJRHZOCN-HNNXBMFYSA-N 1 0 395.345 2.763 20 0 GFADRO C[C@H](Cc1ccc(O)cc1)[NH2+]CCNS(=O)(=O)c1ccc(Cl)cc1F ZINC000513496147 564431420 /nfs/dbraw/zinc/43/14/20/564431420.db2.gz AGLBIOASYVNDPG-GFCCVEGCSA-N 1 0 386.876 2.684 20 0 GFADRO O=C(NC[C@@H]1CCC[N@H+]1CCCO)c1[nH]c2ccccc2c1Br ZINC000452779216 564431670 /nfs/dbraw/zinc/43/16/70/564431670.db2.gz FPUXZIKRDSCGIH-LBPRGKRZSA-N 1 0 380.286 2.507 20 0 GFADRO C[C@H]([NH2+]Cc1nc2c(cccc2Br)[nH]1)C1CCS(=O)(=O)CC1 ZINC000568714447 564431742 /nfs/dbraw/zinc/43/17/42/564431742.db2.gz QARNZBSHCPFTCD-JTQLQIEISA-N 1 0 386.315 2.628 20 0 GFADRO [NH3+]C[C@H]1CC[C@@H](C(=O)NCCOc2ccc3cc(Br)ccc3c2)O1 ZINC000568745378 564432982 /nfs/dbraw/zinc/43/29/82/564432982.db2.gz VESWOLOBRXXPNP-SJORKVTESA-N 1 0 393.281 2.604 20 0 GFADRO C[N@@H+]1CC[C@](O)(CNC(=O)Nc2ncc(Cc3ccccc3Cl)s2)C1 ZINC000545869012 564434264 /nfs/dbraw/zinc/43/42/64/564434264.db2.gz FGUFYMGTDNPQTG-KRWDZBQOSA-N 1 0 380.901 2.575 20 0 GFADRO COCC[NH2+]C1CCN(C(=O)[C@@H](C)Oc2cccc(Cl)c2Cl)CC1 ZINC000568776486 564434567 /nfs/dbraw/zinc/43/45/67/564434567.db2.gz KKUJUOUDJAQIGR-GFCCVEGCSA-N 1 0 375.296 2.988 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)c2c(O)cnc3c(Br)cccc32)CC[N@@H+]1C ZINC000568808850 564435111 /nfs/dbraw/zinc/43/51/11/564435111.db2.gz NPRDJWKDJYEHJA-GHMZBOCLSA-N 1 0 378.270 2.915 20 0 GFADRO C[C@@H]1CCc2ccc(Br)cc2[C@@H]([NH2+]CCCNS(C)(=O)=O)C1 ZINC000479357109 564437566 /nfs/dbraw/zinc/43/75/66/564437566.db2.gz HRCUOTCTGCRUFB-WBMJQRKESA-N 1 0 389.359 2.992 20 0 GFADRO C[C@@H]1CCc2ccc(Br)cc2[C@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC000479453839 564440643 /nfs/dbraw/zinc/44/06/43/564440643.db2.gz NLLZWMKBXLEUGK-IAQYHMDHSA-N 1 0 380.286 2.604 20 0 GFADRO CN1CCN(C(=O)CC[N@@H+]2CCC[C@@H]2c2ccc(Br)cc2)CC1 ZINC000513884422 564441989 /nfs/dbraw/zinc/44/19/89/564441989.db2.gz WWRNSPYAVOWHPT-QGZVFWFLSA-N 1 0 380.330 2.750 20 0 GFADRO C[NH+](C)CC1(CNc2ccc(S(N)(=O)=O)c(C(F)(F)F)c2)CCCC1 ZINC000546055356 564442231 /nfs/dbraw/zinc/44/22/31/564442231.db2.gz XMPFVDAUVHWRHP-UHFFFAOYSA-N 1 0 379.448 2.887 20 0 GFADRO CCC[C@@H]1C[NH2+]CCN1C(=O)c1ccc(S(=O)(=O)c2ccccc2)s1 ZINC000568983862 564443461 /nfs/dbraw/zinc/44/34/61/564443461.db2.gz GDXLSMATTGGZAZ-CQSZACIVSA-N 1 0 378.519 2.795 20 0 GFADRO Cc1cc(C[NH2+]CCN2C(=O)NC3(CCCC3)C2=O)ccc1Br ZINC000479584728 564444305 /nfs/dbraw/zinc/44/43/05/564444305.db2.gz IPAJVRZNPQLVFF-UHFFFAOYSA-N 1 0 380.286 2.712 20 0 GFADRO CCN(CCC[NH2+][C@H](Cc1ccccc1Cl)[C@H]1CCCO1)S(C)(=O)=O ZINC000453061587 564445691 /nfs/dbraw/zinc/44/56/91/564445691.db2.gz DFCGUSCSLDDGRF-QZTJIDSGSA-N 1 0 388.961 2.691 20 0 GFADRO COCCN1CC[C@H]([NH2+][C@H](C)c2ccc(F)c(I)c2)C1 ZINC000453109478 564446507 /nfs/dbraw/zinc/44/65/07/564446507.db2.gz MUFVWFISKMUZOG-YPMHNXCESA-N 1 0 392.256 2.802 20 0 GFADRO O=C(NCC[NH2+][C@@H](Cc1ccccc1Br)C1CC1)c1cnccn1 ZINC000453095459 564446925 /nfs/dbraw/zinc/44/69/25/564446925.db2.gz PKWJGLTWQIHZBJ-INIZCTEOSA-N 1 0 389.297 2.580 20 0 GFADRO C[C@H]([NH2+]C[C@H](O)COCC1CC1)c1ccc(F)c(I)c1 ZINC000453092897 564447256 /nfs/dbraw/zinc/44/72/56/564447256.db2.gz SOEKFFGADIDSGM-GWCFXTLKSA-N 1 0 393.240 2.868 20 0 GFADRO C[N@@H+]1CCC[C@@]2(CCN(S(=O)(=O)c3cccc(OC(F)(F)F)c3)C2)C1 ZINC000569124920 564449428 /nfs/dbraw/zinc/44/94/28/564449428.db2.gz HUCYJLWLYBQWST-OAHLLOKOSA-N 1 0 378.416 2.692 20 0 GFADRO C[C@H]([NH2+]C[C@@H](CO)[C@@H]1CCOC1)c1ccc(F)c(I)c1 ZINC000453207834 564449561 /nfs/dbraw/zinc/44/95/61/564449561.db2.gz BMMSVSGPXJYCGA-UHTWSYAYSA-N 1 0 393.240 2.726 20 0 GFADRO C[N@@H+]1CCC[C@]2(CCN(S(=O)(=O)c3cccc(OC(F)(F)F)c3)C2)C1 ZINC000569124917 564450026 /nfs/dbraw/zinc/45/00/26/564450026.db2.gz HUCYJLWLYBQWST-HNNXBMFYSA-N 1 0 378.416 2.692 20 0 GFADRO COC1([C@@H](C)[NH2+]C[C@@H](CO)Cc2ccc(Br)cc2)CCOCC1 ZINC000453213302 564450068 /nfs/dbraw/zinc/45/00/68/564450068.db2.gz OSEGOQMKDIOOCV-ZBFHGGJFSA-N 1 0 386.330 2.774 20 0 GFADRO C[C@@H](NC[C@H]1CCC[N@@H+]1CCCO)c1ccccc1I ZINC000453259535 564451153 /nfs/dbraw/zinc/45/11/53/564451153.db2.gz PZUXERGDELCXRT-ZIAGYGMSSA-N 1 0 388.293 2.789 20 0 GFADRO COc1ccc(C[C@@H](CO)C[NH2+][C@H](C)c2nccn2C)cc1Br ZINC000453340356 564453972 /nfs/dbraw/zinc/45/39/72/564453972.db2.gz BQWBTCKMXDCCMW-TZMCWYRMSA-N 1 0 382.302 2.693 20 0 GFADRO COc1ccc(C[C@H](CO)C[NH2+][C@H](C)c2cnccn2)cc1Br ZINC000453340287 564454000 /nfs/dbraw/zinc/45/40/00/564454000.db2.gz BNZQORYSJVKWEO-OCCSQVGLSA-N 1 0 380.286 2.750 20 0 GFADRO COc1ccc(Br)cc1C[C@H](CO)C[NH2+][C@H](C)c1nccn1C ZINC000453349838 564454015 /nfs/dbraw/zinc/45/40/15/564454015.db2.gz GPCHGUIQPPUWNL-OLZOCXBDSA-N 1 0 382.302 2.693 20 0 GFADRO C[C@@H](Cc1cnn(C)c1)[NH2+][C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000453360909 564454854 /nfs/dbraw/zinc/45/48/54/564454854.db2.gz UAGGECYPPAQVMC-NHYWBVRUSA-N 1 0 398.326 2.622 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)c(C)c1C(=O)NC[C@@H]([NH3+])C(C)C ZINC000514728024 564455237 /nfs/dbraw/zinc/45/52/37/564455237.db2.gz FAMGUNMDBHPXLR-OAHLLOKOSA-N 1 0 379.302 2.965 20 0 GFADRO CCOC(=O)COc1c(Br)cc(C)cc1C[NH2+][C@H]1C[C@H]1OCC ZINC000569304979 564457993 /nfs/dbraw/zinc/45/79/93/564457993.db2.gz RSFJQCPZCPHYGF-LSDHHAIUSA-N 1 0 386.286 2.966 20 0 GFADRO CCOC(=O)COc1c(Br)cc(C)cc1C[NH2+][C@@H]1C[C@@H]1OCC ZINC000569304976 564458062 /nfs/dbraw/zinc/45/80/62/564458062.db2.gz RSFJQCPZCPHYGF-CABCVRRESA-N 1 0 386.286 2.966 20 0 GFADRO COc1cc(Br)c(CNC(=O)C[C@H]2CCCC[C@@H]2[NH3+])cc1OC ZINC000569335369 564459128 /nfs/dbraw/zinc/45/91/28/564459128.db2.gz QIGSOHBZNJIIAO-RISCZKNCSA-N 1 0 385.302 2.990 20 0 GFADRO C[N@@H+]1CC[C@](O)(CNC(=O)CCCSc2ccc(Br)cc2)C1 ZINC000546571356 564459348 /nfs/dbraw/zinc/45/93/48/564459348.db2.gz JISZDSQOEBPJHA-INIZCTEOSA-N 1 0 387.343 2.504 20 0 GFADRO CC(C)[NH2+]C1(CO)CCN(C[C@@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000514870392 564460798 /nfs/dbraw/zinc/46/07/98/564460798.db2.gz JBAZCYYOUKDGQY-CQSZACIVSA-N 1 0 391.339 2.558 20 0 GFADRO C[C@H](Cc1c[nH]cn1)C(=O)N1CCO[C@H](c2cccc(Br)c2)C1 ZINC000514870540 564460881 /nfs/dbraw/zinc/46/08/81/564460881.db2.gz IXOGVNIBWZOYAK-WBMJQRKESA-N 1 0 378.270 2.951 20 0 GFADRO CN(Cc1cn(-c2ccccc2Br)nn1)CC1([NH+](C)C)CCC1 ZINC000569399147 564461731 /nfs/dbraw/zinc/46/17/31/564461731.db2.gz HPDOOZHEGUFORA-UHFFFAOYSA-N 1 0 378.318 2.946 20 0 GFADRO C[NH+](C)[C@@H](CNc1ncc(I)cn1)c1cccc(F)c1 ZINC000546621128 564462295 /nfs/dbraw/zinc/46/22/95/564462295.db2.gz LJNMNOIAAOSUQC-ZDUSSCGKSA-N 1 0 386.212 2.935 20 0 GFADRO O=S1(=O)CC[C@H]([NH2+]C[C@@H]2CCC[C@@H](O)C2)c2cc(Br)ccc21 ZINC000480197585 564463371 /nfs/dbraw/zinc/46/33/71/564463371.db2.gz LXMTWNCYHIAQMY-KYOSRNDESA-N 1 0 388.327 2.808 20 0 GFADRO COC1CCC([NH2+]CC(=O)Nc2ccc(I)cc2)CC1 ZINC000514957200 564463915 /nfs/dbraw/zinc/46/39/15/564463915.db2.gz MEXMLKUSFPHHGN-UHFFFAOYSA-N 1 0 388.249 2.777 20 0 GFADRO O[C@H](C[NH2+][C@H]1CCN(CC(F)(F)F)C1)COc1cc(Cl)ccc1Cl ZINC000569475018 564464444 /nfs/dbraw/zinc/46/44/44/564464444.db2.gz XDCVMBXZEHLMBX-NWDGAFQWSA-N 1 0 387.229 2.959 20 0 GFADRO CCO[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000515037577 564466993 /nfs/dbraw/zinc/46/69/93/564466993.db2.gz JZDORSYRLQJNEI-HUUCEWRRSA-N 1 0 380.286 2.894 20 0 GFADRO CCn1c2ccccc2nc1SCC(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000480269791 564466995 /nfs/dbraw/zinc/46/69/95/564466995.db2.gz XQYCGYVGUNKHLW-GOSISDBHSA-N 1 0 378.567 2.702 20 0 GFADRO C[C@@H](CN1CCN(c2ccccn2)CC1)[NH2+]Cc1ccc(Br)o1 ZINC000480371457 564470120 /nfs/dbraw/zinc/47/01/20/564470120.db2.gz RTOGSFPMJWENEO-AWEZNQCLSA-N 1 0 379.302 2.737 20 0 GFADRO Cc1cc(NC(=O)C(=O)N2CC[N@@H+](C3CC3)C[C@H](C)C2)ccc1Br ZINC000453771578 564471138 /nfs/dbraw/zinc/47/11/38/564471138.db2.gz NQTDTGWEVVSZLA-LBPRGKRZSA-N 1 0 394.313 2.639 20 0 GFADRO C[C@@H](NS(=O)(=O)c1ccc(Br)c(Cl)c1Cl)[C@H](C)[NH3+] ZINC000515176576 564471500 /nfs/dbraw/zinc/47/15/00/564471500.db2.gz WHRWERSMLCRWIA-NTSWFWBYSA-N 1 0 376.103 2.770 20 0 GFADRO CS[C@@H]1CN(C(=O)Nc2ccc(F)cc2OCC(F)F)C[C@@H]1[NH+](C)C ZINC000546852212 564471671 /nfs/dbraw/zinc/47/16/71/564471671.db2.gz BCUIYXWPQMYNJY-GXTWGEPZSA-N 1 0 377.432 2.979 20 0 GFADRO COC(=O)CCCN1CCC([NH2+]CCOc2ccc(Br)cc2)CC1 ZINC000569636948 564472501 /nfs/dbraw/zinc/47/25/01/564472501.db2.gz BDTCROJTQQKZGP-UHFFFAOYSA-N 1 0 399.329 2.835 20 0 GFADRO COc1ccc(Br)c([C@H](CO)N(C)C(=O)CCCC[NH+](C)C)c1 ZINC000569667547 564473442 /nfs/dbraw/zinc/47/34/42/564473442.db2.gz BQUZQKDPALSBPP-INIZCTEOSA-N 1 0 387.318 2.681 20 0 GFADRO Cn1cc([C@@H]2CN(C(=O)[C@H]3C[C@H]3c3ccc(Cl)cc3Cl)C[C@H]2[NH3+])cn1 ZINC000515346472 564476093 /nfs/dbraw/zinc/47/60/93/564476093.db2.gz CHOQCLRHYXBUNP-QBYUYEEZSA-N 1 0 379.291 2.784 20 0 GFADRO CNS(=O)(=O)[C@H]1CCCN(Cc2c(Cl)cc(Cl)cc2N(C)C)C1 ZINC000569774396 564478024 /nfs/dbraw/zinc/47/80/24/564478024.db2.gz HIZSPDADSAHIBE-LBPRGKRZSA-N 1 0 380.341 2.573 20 0 GFADRO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NCc1cc(Cl)cc(S(N)(=O)=O)c1 ZINC000569850028 564480874 /nfs/dbraw/zinc/48/08/74/564480874.db2.gz BVZCMTWVDSZPSZ-YJBOKZPZSA-N 1 0 387.977 2.978 20 0 GFADRO [NH3+][C@H](C(=O)N1CCN(Cc2ccc(Br)cc2)CC1)c1ccccc1 ZINC000569851960 564481235 /nfs/dbraw/zinc/48/12/35/564481235.db2.gz NHOJJTACPPRHOG-SFHVURJKSA-N 1 0 388.309 2.793 20 0 GFADRO C[C@@H]1[C@H]([NH2+][C@H]2CCS(=O)(=O)c3ccc(Br)cc32)CCCN1C ZINC000480666399 564481571 /nfs/dbraw/zinc/48/15/71/564481571.db2.gz RURNREHRIMQDJA-DFBGVHRSSA-N 1 0 387.343 2.740 20 0 GFADRO Cc1[nH]c(=O)sc1S(=O)(=O)NCC[NH2+][C@@H](C)c1cc2ccccc2o1 ZINC000515608061 564483124 /nfs/dbraw/zinc/48/31/24/564483124.db2.gz BRCXFWRPBWXGNL-JTQLQIEISA-N 1 0 381.479 2.532 20 0 GFADRO C[C@H](CN(C)C(=O)NC[C@H]1C[NH2+]CCCO1)Oc1ccc(Cl)c(Cl)c1 ZINC000569912447 564483923 /nfs/dbraw/zinc/48/39/23/564483923.db2.gz USHHNIYWOZEMBD-TZMCWYRMSA-N 1 0 390.311 2.781 20 0 GFADRO C[C@@H](CNC(=O)NCCOc1cccc(Br)c1)C[NH+]1CCCC1 ZINC000515865844 564489367 /nfs/dbraw/zinc/48/93/67/564489367.db2.gz GRSSLRWASAMKCN-AWEZNQCLSA-N 1 0 384.318 2.859 20 0 GFADRO CC[NH+](CC)CC1CCN(C(=O)C(=O)Nc2cccc(Br)c2)CC1 ZINC000516019785 564491668 /nfs/dbraw/zinc/49/16/68/564491668.db2.gz DLAOAKQGOQQUTB-UHFFFAOYSA-N 1 0 396.329 2.968 20 0 GFADRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NS(=O)(=O)c1cc(Br)ccc1Cl ZINC000480869437 564492663 /nfs/dbraw/zinc/49/26/63/564492663.db2.gz DUADPHYLCAHTPO-NOZJJQNGSA-N 1 0 393.734 2.864 20 0 GFADRO C[C@@H](CNS(=O)(=O)c1ccc(OC(F)F)c(F)c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000570154463 564493092 /nfs/dbraw/zinc/49/30/92/564493092.db2.gz AQIOUKUQSMPHKA-NEPJUHHUSA-N 1 0 380.432 2.826 20 0 GFADRO Cc1cc(Br)cc(NC(=O)C(=O)NCC[N@@H+]2CCCC2(C)C)c1 ZINC000454063299 564495153 /nfs/dbraw/zinc/49/51/53/564495153.db2.gz AXZZBYRWTKAUPN-UHFFFAOYSA-N 1 0 382.302 2.687 20 0 GFADRO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)NCCSCc1ccc(Cl)cc1Cl ZINC000516182229 564495822 /nfs/dbraw/zinc/49/58/22/564495822.db2.gz NNKQVHWZVDMQOW-WDEREUQCSA-N 1 0 392.352 2.585 20 0 GFADRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)CNC(=O)c1ccc(Cl)cc1Cl ZINC000516187470 564496190 /nfs/dbraw/zinc/49/61/90/564496190.db2.gz OUNZPSWMSJQJFW-OLZOCXBDSA-N 1 0 386.323 2.960 20 0 GFADRO Cc1ccc(NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C(C)C)C2)c(Br)c1 ZINC000454082185 564496454 /nfs/dbraw/zinc/49/64/54/564496454.db2.gz CRYSLRQPJZHODE-CYBMUJFWSA-N 1 0 382.302 2.637 20 0 GFADRO C[C@@H](NCc1cc(Cl)cc(S(N)(=O)=O)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000570215919 564496446 /nfs/dbraw/zinc/49/64/46/564496446.db2.gz MDOFNSARJKPNKM-UKRRQHHQSA-N 1 0 385.961 2.730 20 0 GFADRO Cc1ccc(Br)c(NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C(C)C)C2)c1 ZINC000454106652 564498217 /nfs/dbraw/zinc/49/82/17/564498217.db2.gz QTMWPXYAXAGGEY-ZDUSSCGKSA-N 1 0 382.302 2.637 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)C(=O)NCCCC[N@H+](C)C1CC1 ZINC000454119818 564499820 /nfs/dbraw/zinc/49/98/20/564499820.db2.gz ZMUFYOPCNJOVJE-UHFFFAOYSA-N 1 0 396.329 2.941 20 0 GFADRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)c1ccccc1-n1cc(Br)cn1 ZINC000516391116 564501540 /nfs/dbraw/zinc/50/15/40/564501540.db2.gz HLLPJNXAASILOL-ZDUSSCGKSA-N 1 0 389.297 2.849 20 0 GFADRO COc1ccc(S(=O)(=O)Nc2cc[nH+]c(N(C)C)c2)cc1Br ZINC000481041971 564501640 /nfs/dbraw/zinc/50/16/40/564501640.db2.gz BQHNBWBIMAADDP-UHFFFAOYSA-N 1 0 386.271 2.720 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)CNC(=O)c1sc2ccccc2c1Cl)C1CC1 ZINC000516399523 564501888 /nfs/dbraw/zinc/50/18/88/564501888.db2.gz CASZKAGCTMLQCO-CYBMUJFWSA-N 1 0 379.913 2.741 20 0 GFADRO Cc1nc(C(C)C)sc1[C@H](C)[NH2+]C[C@@H]1CCCCN1S(=O)(=O)N(C)C ZINC000570361356 564502917 /nfs/dbraw/zinc/50/29/17/564502917.db2.gz VGELYFWRTMEROE-ZFWWWQNUSA-N 1 0 388.603 2.886 20 0 GFADRO O=C(NC[C@H]1CCC[N@H+]1CCCO)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000454215665 564503019 /nfs/dbraw/zinc/50/30/19/564503019.db2.gz QJCBBESQROTLQF-GFCCVEGCSA-N 1 0 377.819 2.910 20 0 GFADRO OC[C@@H](C[NH2+]C[C@H](O)Cc1ccccc1)Cc1ccc(Br)cc1 ZINC000570396929 564503571 /nfs/dbraw/zinc/50/35/71/564503571.db2.gz YIMKOAATMRJBQD-IEBWSBKVSA-N 1 0 378.310 2.793 20 0 GFADRO CN(C)S(=O)(=O)c1ccc(C[N@@H+]2CCCC[C@@H]2[C@H]2CCCC[C@H]2O)s1 ZINC000570391911 564503755 /nfs/dbraw/zinc/50/37/55/564503755.db2.gz OOBSBPYMKKQKBT-BRWVUGGUSA-N 1 0 386.583 2.904 20 0 GFADRO Cc1cc(Br)cc(C)c1CNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC000570409841 564504524 /nfs/dbraw/zinc/50/45/24/564504524.db2.gz SGHXFCVFZOOPHI-UHFFFAOYSA-N 1 0 379.302 2.754 20 0 GFADRO C[N@@H+]1CCC[C@H](CCNC(=O)Nc2ccc(NS(C)(=O)=O)c(Cl)c2)C1 ZINC000516547785 564504999 /nfs/dbraw/zinc/50/49/99/564504999.db2.gz XALFKOGXGMRIEK-GFCCVEGCSA-N 1 0 388.921 2.565 20 0 GFADRO CC1(CNC(=O)c2ncc(Br)cc2Br)CC[NH2+]CC1 ZINC000516562648 564505329 /nfs/dbraw/zinc/50/53/29/564505329.db2.gz LJBQTRYDFTYUMO-UHFFFAOYSA-N 1 0 391.107 2.726 20 0 GFADRO CCOC1CC(C[NH2+][C@@H](C)c2ccc(Br)cn2)(N2CCOCC2)C1 ZINC000570497704 564508092 /nfs/dbraw/zinc/50/80/92/564508092.db2.gz IBMKFBLFVNMRNI-NXVRBGIVSA-N 1 0 398.345 2.765 20 0 GFADRO COc1ccc(C(=O)N[C@@H](C)C[N@H+](C)C(C)C)c(I)c1 ZINC000570490395 564508419 /nfs/dbraw/zinc/50/84/19/564508419.db2.gz FYJOPMXMVRQISH-NSHDSACASA-N 1 0 390.265 2.758 20 0 GFADRO C[C@H](CNC(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1)Oc1ccc(Br)cc1 ZINC000570549959 564511631 /nfs/dbraw/zinc/51/16/31/564511631.db2.gz KOMNYFOHHUGGNS-DVOMOZLQSA-N 1 0 382.302 2.610 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)Nc3cc(Cl)c(Cl)cc3Cl)C[C@@H]21 ZINC000516849533 564513571 /nfs/dbraw/zinc/51/35/71/564513571.db2.gz XIQFYPMUGLLJRJ-OQPBUACISA-N 1 0 376.671 2.748 20 0 GFADRO [NH3+][C@@H]1CCc2ncc(NC(=O)c3ccccc3I)cc2C1 ZINC000516861898 564514211 /nfs/dbraw/zinc/51/42/11/564514211.db2.gz VAQSHLHILMQEIS-LLVKDONJSA-N 1 0 393.228 2.755 20 0 GFADRO O=C(NCC[C@H]1CCC[NH2+]1)N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000570667108 564516429 /nfs/dbraw/zinc/51/64/29/564516429.db2.gz IEKKARGRUWBFAO-TZMCWYRMSA-N 1 0 385.295 2.540 20 0 GFADRO [NH3+]C[C@H]1CCCN(C(=O)Nc2ccc(F)cc2I)C1 ZINC000570690679 564517073 /nfs/dbraw/zinc/51/70/73/564517073.db2.gz WWTTZUIBMAEDNA-SECBINFHSA-N 1 0 377.201 2.633 20 0 GFADRO Cc1nc(CNC(=O)N[C@H]2C[N@H+](C(C)C)C[C@H]2C)sc1Br ZINC000454662708 564517836 /nfs/dbraw/zinc/51/78/36/564517836.db2.gz HWSJSCGMBVEPAU-KOLCDFICSA-N 1 0 375.336 2.742 20 0 GFADRO CC(=O)N[C@H](C)C1CC[NH+](C[C@@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000481597580 564517944 /nfs/dbraw/zinc/51/79/44/564517944.db2.gz XTXUVWYESYVVAZ-MLGOLLRUSA-N 1 0 389.323 2.970 20 0 GFADRO CC(=O)N[C@@H](C)C1CC[NH+](C[C@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000481597577 564518108 /nfs/dbraw/zinc/51/81/08/564518108.db2.gz XTXUVWYESYVVAZ-LRDDRELGSA-N 1 0 389.323 2.970 20 0 GFADRO CCC[C@@H]1C[NH2+]CCN1C(=O)c1ccc(F)cc1I ZINC000516969728 564518866 /nfs/dbraw/zinc/51/88/66/564518866.db2.gz SSPRJBHJNPERMF-LLVKDONJSA-N 1 0 376.213 2.644 20 0 GFADRO CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000454759110 564521193 /nfs/dbraw/zinc/52/11/93/564521193.db2.gz UNLAPLNMSPNSRK-SDNTUTLCSA-N 1 0 396.329 2.871 20 0 GFADRO C[NH+](C)C[C@H]1CCCCN1C(=O)c1ccc(I)c(F)c1 ZINC000517079990 564524655 /nfs/dbraw/zinc/52/46/55/564524655.db2.gz JXXARRODMFJRIQ-GFCCVEGCSA-N 1 0 390.240 2.987 20 0 GFADRO CO[C@@H]1CCN(C(=O)[C@@H](C)Sc2ccc(Br)cc2)[C@H](C[NH3+])C1 ZINC000517125200 564525364 /nfs/dbraw/zinc/52/53/64/564525364.db2.gz BZKOBCNEHIODAD-KWCYVHTRSA-N 1 0 387.343 2.894 20 0 GFADRO O=C(CNC(=O)c1sc2ccccc2c1Cl)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000517149503 564525519 /nfs/dbraw/zinc/52/55/19/564525519.db2.gz YZTVJCVLFUPEDG-GFCCVEGCSA-N 1 0 377.897 2.637 20 0 GFADRO COc1cc2[nH+]ccc(N[C@H]3C[C@@H]4CCCCN4C3=O)c2cc1Br ZINC000570922888 564527897 /nfs/dbraw/zinc/52/78/97/564527897.db2.gz RZAANEZMJKRGBV-ZBEGNZNMSA-N 1 0 390.281 2.993 20 0 GFADRO CC[NH+](CC)CC[C@@H](CO)NC(=O)[C@@H](C)Oc1cc(Cl)cc(Cl)c1 ZINC000570989540 564530595 /nfs/dbraw/zinc/53/05/95/564530595.db2.gz HFQSHSHBEGGTGS-DOMZBBRYSA-N 1 0 377.312 2.970 20 0 GFADRO CC[N@@H+]1CCCN(C(=O)C(=O)N[C@@H]2CCSc3ccc(Cl)cc32)CC1 ZINC000517345512 564531118 /nfs/dbraw/zinc/53/11/18/564531118.db2.gz ZFKOLHCJTZACHL-OAHLLOKOSA-N 1 0 381.929 2.547 20 0 GFADRO Cc1[nH]c(=O)sc1S(=O)(=O)NCC[NH2+]C1CCC(C(C)(C)C)CC1 ZINC000548176442 564533918 /nfs/dbraw/zinc/53/39/18/564533918.db2.gz QWKDWQRNIVIVMC-UHFFFAOYSA-N 1 0 375.560 2.630 20 0 GFADRO COc1cc(NC(=O)N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)cc(OC)c1Br ZINC000455055516 564534269 /nfs/dbraw/zinc/53/42/69/564534269.db2.gz BUIPMCNJMTVNTM-CMPLNLGQSA-N 1 0 384.274 2.634 20 0 GFADRO Cc1cc(C)c(C[NH2+]C[C@H](O)COc2cc(F)cc(Br)c2)c(=O)[nH]1 ZINC000517489083 564535915 /nfs/dbraw/zinc/53/59/15/564535915.db2.gz CENJAFUCADNQGR-AWEZNQCLSA-N 1 0 399.260 2.835 20 0 GFADRO CCOC(=O)C1CCC(O)(C[NH2+]Cc2nc(C)c(Br)s2)CC1 ZINC000517556679 564536281 /nfs/dbraw/zinc/53/62/81/564536281.db2.gz RUOFWIOUWGIBAV-UHFFFAOYSA-N 1 0 391.331 2.788 20 0 GFADRO CS(=O)(=O)N1CC[C@H]([NH2+][C@H]2CCC[C@@H]2c2ccc(C(F)(F)F)cc2)C1 ZINC000517574723 564536898 /nfs/dbraw/zinc/53/68/98/564536898.db2.gz FYMVEJWLNAYKQT-XHSDSOJGSA-N 1 0 376.444 2.965 20 0 GFADRO O=C(CCSc1ccccc1Br)NC[C@]1(O)C[NH+]2CCC1CC2 ZINC000517613737 564537601 /nfs/dbraw/zinc/53/76/01/564537601.db2.gz SEFLWAOEDKZCKS-KRWDZBQOSA-N 1 0 399.354 2.504 20 0 GFADRO CN1CCC[C@@H](C[NH2+][C@@H]2CCS(=O)(=O)c3ccc(Br)cc32)C1 ZINC000571227486 564542033 /nfs/dbraw/zinc/54/20/33/564542033.db2.gz ZMJZVQDXRHUYDF-SWLSCSKDSA-N 1 0 387.343 2.599 20 0 GFADRO O=C(NC[C@@H]1CCC[N@H+]1CCCO)Nc1c(F)cc(F)cc1Br ZINC000455218403 564543190 /nfs/dbraw/zinc/54/31/90/564543190.db2.gz KNRXAQWXLFHAOY-NSHDSACASA-N 1 0 392.244 2.696 20 0 GFADRO Cc1nc(CNC(=O)N2C[C@H]([NH+]3CCCC3)C[C@H]2C)sc1Br ZINC000455236627 564544106 /nfs/dbraw/zinc/54/41/06/564544106.db2.gz SSKZKYMNMOCUIE-ZYHUDNBSSA-N 1 0 387.347 2.982 20 0 GFADRO Cc1[nH]c(=O)sc1S(=O)(=O)NCC[NH2+]Cc1cc(Cl)cc(Cl)c1 ZINC000482541256 564544510 /nfs/dbraw/zinc/54/45/10/564544510.db2.gz WGIFGXCCFXDLHB-UHFFFAOYSA-N 1 0 396.321 2.532 20 0 GFADRO C[C@@H](CNC(=O)[C@@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1)[NH+]1CCCC1 ZINC000518037715 564545096 /nfs/dbraw/zinc/54/50/96/564545096.db2.gz KKBGAPQPBXGHDS-QWHCGFSZSA-N 1 0 384.307 2.947 20 0 GFADRO Cc1nccc(NC(=O)NCC[N@@H+]2CCc3ccccc3C2)c1Br ZINC000518302107 564550546 /nfs/dbraw/zinc/55/05/46/564550546.db2.gz MCQVEOVXEMORJR-UHFFFAOYSA-N 1 0 389.297 2.754 20 0 GFADRO COc1ccc(Br)c(CC(=O)Nc2cnc3c(c2)C[C@@H]([NH3+])CC3)c1 ZINC000571432157 564550743 /nfs/dbraw/zinc/55/07/43/564550743.db2.gz GXLXTHFHOROGGU-ZDUSSCGKSA-N 1 0 390.281 2.850 20 0 GFADRO OC[C@@H]([NH2+]Cc1cnn(-c2ccc(Br)cc2)c1)C1CCOCC1 ZINC000571435043 564551119 /nfs/dbraw/zinc/55/11/19/564551119.db2.gz QKGQBZMVUVVOTG-QGZVFWFLSA-N 1 0 380.286 2.512 20 0 GFADRO CCC[C@H]1C[NH2+]CCN1C(=O)c1cnn(-c2ccc(Br)cc2)c1 ZINC000518372940 564551414 /nfs/dbraw/zinc/55/14/14/564551414.db2.gz JPGBTMIWTNJAEI-INIZCTEOSA-N 1 0 377.286 2.849 20 0 GFADRO CC[C@H]1C[N@H+](C)CCCN1S(=O)(=O)c1cccc(Br)c1C ZINC000571485204 564553708 /nfs/dbraw/zinc/55/37/08/564553708.db2.gz NZQGJCAHPMYHHU-ZDUSSCGKSA-N 1 0 375.332 2.862 20 0 GFADRO COc1ccc(Br)c(CNC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000455440815 564554165 /nfs/dbraw/zinc/55/41/65/564554165.db2.gz BOAXXBAQAPVKMU-AGUYFDCRSA-N 1 0 382.302 2.882 20 0 GFADRO O=C(Nc1ccc(I)cc1F)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000571539622 564556370 /nfs/dbraw/zinc/55/63/70/564556370.db2.gz ZZDGXODTTCFNBT-JOYOIKCWSA-N 1 0 389.212 2.646 20 0 GFADRO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N(CCO)Cc1ccc(Br)s1 ZINC000483003510 564556490 /nfs/dbraw/zinc/55/64/90/564556490.db2.gz HAZCMMDGJIZEHG-VXGBXAGGSA-N 1 0 375.332 2.704 20 0 GFADRO CC[NH+](CC)CCS(=O)(=O)N[C@H](c1cncc(Br)c1)C1CC1 ZINC000518622594 564558247 /nfs/dbraw/zinc/55/82/47/564558247.db2.gz CLHFRXRVLKHYGL-HNNXBMFYSA-N 1 0 390.347 2.556 20 0 GFADRO CCC[N@H+](CC)C[C@@H](C)NS(=O)(=O)c1cc(Cl)ccc1C(=O)OC ZINC000571604977 564558389 /nfs/dbraw/zinc/55/83/89/564558389.db2.gz RTXAVTIQKLHZFU-GFCCVEGCSA-N 1 0 376.906 2.525 20 0 GFADRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(S(=O)(=O)c2cccc3nsnc32)C1 ZINC000518644053 564558750 /nfs/dbraw/zinc/55/87/50/564558750.db2.gz RIZALKAFNDCOEI-MJBXVCDLSA-N 1 0 380.539 2.717 20 0 GFADRO C[C@@H]1CN(Cc2cc3c(cc2Br)OCCCO3)C[C@]2(CCOC2)O1 ZINC000483182443 564559495 /nfs/dbraw/zinc/55/94/95/564559495.db2.gz MJCQPONONQQIPF-ACJLOTCBSA-N 1 0 398.297 2.990 20 0 GFADRO O=S(=O)(c1cc(F)ccc1OC(F)F)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000571632410 564559634 /nfs/dbraw/zinc/55/96/34/564559634.db2.gz DOAPSMBTPCBLEX-DGCLKSJQSA-N 1 0 378.416 2.580 20 0 GFADRO COC(=O)CC[C@@H]([NH3+])C(=O)Nc1nc(C)c(Cc2cccc(Cl)c2)s1 ZINC000571639615 564559931 /nfs/dbraw/zinc/55/99/31/564559931.db2.gz SPINZIHXSUTQBN-CYBMUJFWSA-N 1 0 381.885 2.915 20 0 GFADRO O=C(NC[C@H]1CCC[NH2+]C1)Nc1ccc(-c2ccc(Br)s2)nn1 ZINC000571652191 564560952 /nfs/dbraw/zinc/56/09/52/564560952.db2.gz HLCTUHPWKXWXOS-JTQLQIEISA-N 1 0 396.314 3.089 20 0 GFADRO C[C@@H]1OCC[C@@H]1[N@H+](CCO)CCOc1ccc(Cl)cc1Br ZINC000483264580 564561666 /nfs/dbraw/zinc/56/16/66/564561666.db2.gz FQLPFRDZXKAXII-FZMZJTMJSA-N 1 0 378.694 2.953 20 0 GFADRO C[C@H]1OCC[C@H]1[N@H+](CCO)CCOc1ccc(Cl)cc1Br ZINC000483264579 564561906 /nfs/dbraw/zinc/56/19/06/564561906.db2.gz FQLPFRDZXKAXII-BXUZGUMPSA-N 1 0 378.694 2.953 20 0 GFADRO C[NH+](C)CCn1nccc1NC(=O)N[C@@H](CO)c1c(Cl)cccc1Cl ZINC000455644014 564562285 /nfs/dbraw/zinc/56/22/85/564562285.db2.gz FOPDXDKEJYCAOL-ZDUSSCGKSA-N 1 0 386.283 2.607 20 0 GFADRO CC1CC[NH+](CCN2CCNC(=O)[C@H]2c2ccc(Br)cc2)CC1 ZINC000483269653 564562781 /nfs/dbraw/zinc/56/27/81/564562781.db2.gz IJHBPWRRZBUEFG-QGZVFWFLSA-N 1 0 380.330 2.654 20 0 GFADRO C[C@H](Cc1ccc(Br)cc1)NC(=O)Nc1ccnn1CC[NH+](C)C ZINC000455665602 564564215 /nfs/dbraw/zinc/56/42/15/564564215.db2.gz HIJVEXOSBGBFCC-CYBMUJFWSA-N 1 0 394.317 2.960 20 0 GFADRO O=C(Nc1c[nH]cc(Br)c1=O)c1ccccc1CC1CC[NH2+]CC1 ZINC000571763366 564565541 /nfs/dbraw/zinc/56/55/41/564565541.db2.gz BAEXCAXZSMIYFE-UHFFFAOYSA-N 1 0 390.281 2.932 20 0 GFADRO COc1nc(C)c(Br)cc1C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000548604115 564566608 /nfs/dbraw/zinc/56/66/08/564566608.db2.gz INWMKVLXRJEFMJ-YHWZYXNKSA-N 1 0 382.302 2.906 20 0 GFADRO CC(C)[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)N1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000518964096 564566836 /nfs/dbraw/zinc/56/68/36/564566836.db2.gz ZVXGQMNYOSXLOT-NFFDBFGFSA-N 1 0 385.961 2.988 20 0 GFADRO O=C(c1ccc(I)cn1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000455759309 564569870 /nfs/dbraw/zinc/56/98/70/564569870.db2.gz RLVIXKGBZUNLLD-ZDUSSCGKSA-N 1 0 399.276 2.634 20 0 GFADRO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)Nc1c(F)ccc(C)c1Br ZINC000483548109 564570370 /nfs/dbraw/zinc/57/03/70/564570370.db2.gz WMKAHAZOTOLARI-LLVKDONJSA-N 1 0 388.281 2.682 20 0 GFADRO C[C@@H](CNS(=O)(=O)c1ccc(Br)c(Cl)c1)[NH+]1CCCC1 ZINC000548697075 564571281 /nfs/dbraw/zinc/57/12/81/564571281.db2.gz FRKVVKYDKGHNMT-JTQLQIEISA-N 1 0 381.723 2.865 20 0 GFADRO O=C(NCC1([NH+]2CCCC2)CCOCC1)c1ccc(Br)cc1O ZINC000519157272 564571605 /nfs/dbraw/zinc/57/16/05/564571605.db2.gz DMZVOCXWKALKPU-UHFFFAOYSA-N 1 0 383.286 2.530 20 0 GFADRO COc1c(Br)cc(CN[C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1Br ZINC000571890640 564571769 /nfs/dbraw/zinc/57/17/69/564571769.db2.gz WJMUZKLLEJNBPE-GDGBQDQQSA-N 1 0 376.092 2.528 20 0 GFADRO CO[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1cccc(I)c1 ZINC000483721337 564573727 /nfs/dbraw/zinc/57/37/27/564573727.db2.gz HGDFZCVSFQLGKP-ZIAGYGMSSA-N 1 0 388.249 2.777 20 0 GFADRO C[NH+](C)[C@@]1(CNC(=O)[C@]2(Cc3cccc(Cl)c3)CCOC2)CCSC1 ZINC000455862175 564575940 /nfs/dbraw/zinc/57/59/40/564575940.db2.gz KXNBEEMQZRXTRL-RBUKOAKNSA-N 1 0 382.957 2.843 20 0 GFADRO CN(C)C(=O)C1(C[NH2+]C[C@@H](O)COc2cc(Cl)ccc2Cl)CCCC1 ZINC000571993657 564576077 /nfs/dbraw/zinc/57/60/77/564576077.db2.gz FIZTVOFJOQQBEO-CQSZACIVSA-N 1 0 389.323 2.971 20 0 GFADRO Cc1nc2cc(Cl)c(NC(=O)C(=O)N[C@H]3CC[N@H+](C)[C@@H](C)C3)cc2s1 ZINC000483891054 564577490 /nfs/dbraw/zinc/57/74/90/564577490.db2.gz GQFLJAVSCRWVRM-ONGXEEELSA-N 1 0 380.901 2.796 20 0 GFADRO CN(C)c1cc(NC(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)ncc1Br ZINC000455868235 564577594 /nfs/dbraw/zinc/57/75/94/564577594.db2.gz QDEWVOMOELIMRY-VXGBXAGGSA-N 1 0 382.306 2.658 20 0 GFADRO COCC1(C(=O)N[C@H]2C[C@H](c3ccc(F)c(Br)c3)C2)CC[NH2+]CC1 ZINC000572033893 564578116 /nfs/dbraw/zinc/57/81/16/564578116.db2.gz USJDMXUQWBYKSV-HDJSIYSDSA-N 1 0 399.304 2.967 20 0 GFADRO CO[C@@H]1CCN(CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)[C@@H](C[NH3+])C1 ZINC000572038801 564578895 /nfs/dbraw/zinc/57/88/95/564578895.db2.gz JLGWBINOKQLOSH-VXGBXAGGSA-N 1 0 379.810 2.735 20 0 GFADRO C[N@H+](CCNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C1CCCCC1 ZINC000519483706 564579307 /nfs/dbraw/zinc/57/93/07/564579307.db2.gz XOWFAGFLQMBSKE-UHFFFAOYSA-N 1 0 375.878 2.791 20 0 GFADRO CN1CCN(C(=O)Nc2ccc(C(F)(F)F)c(Br)c2)[C@@H](C[NH3+])C1 ZINC000519528389 564579931 /nfs/dbraw/zinc/57/99/31/564579931.db2.gz JZALARLYBYHUHM-JTQLQIEISA-N 1 0 395.223 2.575 20 0 GFADRO CC(C)OC[C@H](O)C[NH2+][C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000519543063 564580800 /nfs/dbraw/zinc/58/08/00/564580800.db2.gz SJANOJYMMCEJAQ-CHWSQXEVSA-N 1 0 381.826 2.708 20 0 GFADRO CN1CCN(C(=O)CC[NH+]2CCC(c3ccccc3Br)CC2)CC1 ZINC000548930457 564581400 /nfs/dbraw/zinc/58/14/00/564581400.db2.gz BUYSBWDLSRJRDG-UHFFFAOYSA-N 1 0 394.357 2.793 20 0 GFADRO CC[NH+](CC)CCS(=O)(=O)N[C@@H]1C[C@H]1c1ccccc1Br ZINC000519571306 564581858 /nfs/dbraw/zinc/58/18/58/564581858.db2.gz KKFJGMLPHNJAOK-DZGCQCFKSA-N 1 0 375.332 2.566 20 0 GFADRO COCCOC[C@H](O)C[NH2+][C@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC000519594773 564582664 /nfs/dbraw/zinc/58/26/64/564582664.db2.gz LLBXIIZABHZSFF-DYVFJYSZSA-N 1 0 397.313 2.921 20 0 GFADRO O=C(Nc1cc(Cl)cc(Cl)c1)N1CC[NH+]([C@H]2CCNC(=O)CC2)CC1 ZINC000572216257 564585247 /nfs/dbraw/zinc/58/52/47/564585247.db2.gz LADCZZKLROTUAL-OAHLLOKOSA-N 1 0 385.295 2.812 20 0 GFADRO C[NH+](C)CC1(CNC(=O)c2ccc(I)cn2)CCCC1 ZINC000456068344 564586920 /nfs/dbraw/zinc/58/69/20/564586920.db2.gz OSOJRVVEJRMRGW-UHFFFAOYSA-N 1 0 387.265 2.538 20 0 GFADRO O=S1(=O)CCO[C@H](C[NH2+][C@H]2CCCCc3cc(Br)ccc32)C1 ZINC000549236652 564589073 /nfs/dbraw/zinc/58/90/73/564589073.db2.gz CTCSDWMCYWVJKY-ZBFHGGJFSA-N 1 0 388.327 2.620 20 0 GFADRO O[C@@H](C[NH2+][C@H]1CCCOc2ccc(I)cc21)C(F)F ZINC000484489873 564589657 /nfs/dbraw/zinc/58/96/57/564589657.db2.gz PLYBEZXMDSOGBD-QWRGUYRKSA-N 1 0 383.176 2.721 20 0 GFADRO O=C(NCc1cc(Cl)ccc1Br)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000572361608 564591381 /nfs/dbraw/zinc/59/13/81/564591381.db2.gz UKRWBLBMCVYYPB-SECBINFHSA-N 1 0 383.677 2.833 20 0 GFADRO Cc1nnsc1C[NH2+]C[C@H](O)COc1ccc(Cl)cc1Br ZINC000572357181 564591394 /nfs/dbraw/zinc/59/13/94/564591394.db2.gz HLGKITRAJKGHHI-JTQLQIEISA-N 1 0 392.706 2.792 20 0 GFADRO CS[C@@H]1CN(Cc2csc(CC(=O)OC(C)C)n2)C[C@H]1[NH+]1CCCC1 ZINC000484632240 564592760 /nfs/dbraw/zinc/59/27/60/564592760.db2.gz LROSIEHSHUJQLS-HZPDHXFCSA-N 1 0 383.583 2.649 20 0 GFADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)N2CCc3sc(Cl)cc3C2)CC1 ZINC000572397772 564593423 /nfs/dbraw/zinc/59/34/23/564593423.db2.gz LXILLZUTVQGIDL-AWEZNQCLSA-N 1 0 384.977 2.743 20 0 GFADRO CCO[C@@H]1COCC[C@@H]1[NH2+][C@@H](C)C(=O)Nc1ccc(Br)c(C)c1 ZINC000484648534 564593658 /nfs/dbraw/zinc/59/36/58/564593658.db2.gz JMNCSHMLLGZRHU-VBNZEHGJSA-N 1 0 385.302 2.868 20 0 GFADRO CCO[C@H]1COCC[C@H]1[NH2+]CC(=O)Nc1ccc(Br)cc1Cl ZINC000484642036 564593725 /nfs/dbraw/zinc/59/37/25/564593725.db2.gz RDLNBHMROVFKMK-KGLIPLIRSA-N 1 0 391.693 2.825 20 0 GFADRO CS[C@@H]1CN(S(=O)(=O)Cc2ccc(C(F)F)cc2)C[C@H]1[NH+]1CCCC1 ZINC000549405704 564593702 /nfs/dbraw/zinc/59/37/02/564593702.db2.gz GURWSNAECCQCIS-HZPDHXFCSA-N 1 0 390.521 2.966 20 0 GFADRO C[C@@H](CC(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1)c1ccc(Br)cc1 ZINC000456205316 564593953 /nfs/dbraw/zinc/59/39/53/564593953.db2.gz BPERCSNZEZIJPY-SOUVJXGZSA-N 1 0 383.330 2.856 20 0 GFADRO CS[C@@H]1CN(C[C@@H](O)COc2cc(C)ccc2Cl)C[C@H]1[NH+]1CCCC1 ZINC000484660179 564594581 /nfs/dbraw/zinc/59/45/81/564594581.db2.gz YJCDOHFAPKRZSF-SZVBFZGTSA-N 1 0 384.973 2.900 20 0 GFADRO C[C@H](CNC(=O)c1ccc(Cl)c(NS(C)(=O)=O)c1)[N@@H+]1CCCC[C@@H]1C ZINC000519936498 564594746 /nfs/dbraw/zinc/59/47/46/564594746.db2.gz QWXGMDLWPTYPON-QWHCGFSZSA-N 1 0 387.933 2.704 20 0 GFADRO Cc1cc(Br)c(S(=O)(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)s1 ZINC000549513067 564596070 /nfs/dbraw/zinc/59/60/70/564596070.db2.gz OWYPOCHCXWRCPZ-CQSZACIVSA-N 1 0 393.372 2.925 20 0 GFADRO CCCOc1c(Br)cc(C[NH2+]C[C@]2(O)CCOC2)cc1OCC ZINC000572494690 564597016 /nfs/dbraw/zinc/59/70/16/564597016.db2.gz HUOZWHHGYXPLTM-QGZVFWFLSA-N 1 0 388.302 2.878 20 0 GFADRO C[C@H]1C[N@H+](C)CCN1c1ccc(Br)cc1NC(=O)c1cncn1C ZINC000456361996 564602185 /nfs/dbraw/zinc/60/21/85/564602185.db2.gz DHAPGLHEPCWQRW-LBPRGKRZSA-N 1 0 392.301 2.575 20 0 GFADRO C[C@H](C[NH2+]Cc1ccc(S(=O)(=O)N2CCOCC2)s1)c1ccccc1 ZINC000572673519 564605232 /nfs/dbraw/zinc/60/52/32/564605232.db2.gz DJTTYJJMDJTREA-OAHLLOKOSA-N 1 0 380.535 2.662 20 0 GFADRO COc1cc(OC)c(S(=O)(=O)N2CCCC[C@@H]2[C@H]2CCC[NH2+]2)cc1Cl ZINC000572826826 564612040 /nfs/dbraw/zinc/61/20/40/564612040.db2.gz DGKLOQRAQYSZLT-ZIAGYGMSSA-N 1 0 388.917 2.652 20 0 GFADRO COCCN(CC[NH+](C)C)C(=O)N[C@H]1C[C@@H]1c1cccc(Br)c1 ZINC000520781580 564613077 /nfs/dbraw/zinc/61/30/77/564613077.db2.gz SYANRCSDRSKTPK-CVEARBPZSA-N 1 0 384.318 2.525 20 0 GFADRO [NH3+]C[C@H]1CN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)CC12CCOCC2 ZINC000572879343 564614453 /nfs/dbraw/zinc/61/44/53/564614453.db2.gz ARRCFOZGVDLFRI-ZDUSSCGKSA-N 1 0 393.336 2.511 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2C(=O)c1cccc(F)c1Br ZINC000485409927 564614634 /nfs/dbraw/zinc/61/46/34/564614634.db2.gz QJHJJLYMSJSYAA-UGFHNGPFSA-N 1 0 385.277 2.912 20 0 GFADRO C[C@H](CNC(=O)CNC(=O)c1ccc(Cl)cc1Cl)[NH+]1CCC(C)CC1 ZINC000520858992 564614853 /nfs/dbraw/zinc/61/48/53/564614853.db2.gz KLMAWGMOZOPKQX-CYBMUJFWSA-N 1 0 386.323 2.960 20 0 GFADRO COC1(C(=O)N2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)CC[NH2+]CC1 ZINC000572962021 564616883 /nfs/dbraw/zinc/61/68/83/564616883.db2.gz FJAZITJCBKLDHG-NSHDSACASA-N 1 0 377.432 2.637 20 0 GFADRO OC[C@@H]1CCC[C@@H]1[NH2+]C[C@H](O)COc1ccc(Cl)cc1Br ZINC000572960936 564617587 /nfs/dbraw/zinc/61/75/87/564617587.db2.gz WSOTUXKUOAOWBF-JKOKRWQUSA-N 1 0 378.694 2.593 20 0 GFADRO CC1(C)C[C@@H]([NH2+]C[C@H](O)COc2cc(F)cc(Br)c2)CCO1 ZINC000572992264 564618378 /nfs/dbraw/zinc/61/83/78/564618378.db2.gz AKWDGLDRTYTTBF-KBPBESRZSA-N 1 0 376.266 2.875 20 0 GFADRO CN1CCN(c2ncc(Br)cc2NC(=O)CCc2ccco2)CC1 ZINC000456590590 564620062 /nfs/dbraw/zinc/62/00/62/564620062.db2.gz OYIBFOLLHXYBNE-UHFFFAOYSA-N 1 0 393.285 2.760 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C(=O)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000573082671 564622388 /nfs/dbraw/zinc/62/23/88/564622388.db2.gz RTFSLVDPVDTOQB-SUMWQHHRSA-N 1 0 389.297 2.767 20 0 GFADRO CCS[C@@H]1CC[C@@H](N(C)C(=O)C(=O)NC[C@@H](c2cccs2)[NH+](C)C)C1 ZINC000550379720 564622770 /nfs/dbraw/zinc/62/27/70/564622770.db2.gz ZWYNIBXSDBZMHC-KFWWJZLASA-N 1 0 383.583 2.600 20 0 GFADRO O=C(Nc1cccc2c1CC[NH2+]C2)N[C@@H](CO)c1cccc(Br)c1 ZINC000521360235 564625831 /nfs/dbraw/zinc/62/58/31/564625831.db2.gz HUNWKFNIJNHNGI-KRWDZBQOSA-N 1 0 390.281 2.950 20 0 GFADRO O=S(=O)(c1ccc(C(F)(F)F)c(F)c1)N1CCC2(CC[NH2+]CC2)CC1 ZINC000521435193 564627732 /nfs/dbraw/zinc/62/77/32/564627732.db2.gz SHGRGVJMBRYNDW-UHFFFAOYSA-N 1 0 380.407 2.999 20 0 GFADRO CC[N@H+](CC(=O)NC[C@H](CO)Cc1cccc(Br)c1C)C1CC1 ZINC000456715101 564627948 /nfs/dbraw/zinc/62/79/48/564627948.db2.gz KBZROIUTBXXYBK-CQSZACIVSA-N 1 0 383.330 2.509 20 0 GFADRO C[C@@H](NC(=O)CN(C)[C@H](C)C(=O)NC(C)(C)C)c1ccc(Br)cc1 ZINC000485882199 564629459 /nfs/dbraw/zinc/62/94/59/564629459.db2.gz PFCAOMJMKAKNAG-CHWSQXEVSA-N 1 0 398.345 2.861 20 0 GFADRO CCCN(CC[NH+](CC)CC)C(=O)C(=O)NCc1ccc(Br)cc1 ZINC000550762648 564630721 /nfs/dbraw/zinc/63/07/21/564630721.db2.gz QBHHKBBLGDRESW-UHFFFAOYSA-N 1 0 398.345 2.646 20 0 GFADRO C[C@@H](CNC(=O)CCS(=O)(=O)c1ccc(Cl)cc1)[N@@H+]1CCCC[C@H]1C ZINC000485945140 564632587 /nfs/dbraw/zinc/63/25/87/564632587.db2.gz NLUIUYQWTXDOCX-CABCVRRESA-N 1 0 386.945 2.883 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CC[NH2+]C[C@@H](O)COCC(C)C ZINC000573317475 564633037 /nfs/dbraw/zinc/63/30/37/564633037.db2.gz JSNKDAKSVITZMQ-OAHLLOKOSA-N 1 0 387.318 2.709 20 0 GFADRO CC(=O)NCCN(Cc1ccc(Cl)cc1Cl)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC000521642845 564633075 /nfs/dbraw/zinc/63/30/75/564633075.db2.gz TVCCNUIPNQBLKF-ZDUSSCGKSA-N 1 0 386.323 2.800 20 0 GFADRO CCC[C@@H](C)[C@H](CO)[NH2+]CC(=O)Nc1cccc(I)c1 ZINC000573328687 564633669 /nfs/dbraw/zinc/63/36/69/564633669.db2.gz VBBFOBMGZRUPQJ-RISCZKNCSA-N 1 0 390.265 2.616 20 0 GFADRO CS(=O)(=O)C[C@H]([NH2+][C@H]1CCCN(Cc2ccc(F)cc2Cl)C1)C1CC1 ZINC000550885054 564634026 /nfs/dbraw/zinc/63/40/26/564634026.db2.gz CSZPDXPPJXQAFW-WMZOPIPTSA-N 1 0 388.936 2.856 20 0 GFADRO CC[NH+](CC)[C@@H](CNC(=O)C(=O)NCC1(SC)CCC1)c1ccsc1 ZINC000551006112 564634950 /nfs/dbraw/zinc/63/49/50/564634950.db2.gz BLVNEKKGKJKUCE-HNNXBMFYSA-N 1 0 383.583 2.649 20 0 GFADRO O=S(=O)(CCOCC(F)(F)F)NC[C@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000573368263 564634962 /nfs/dbraw/zinc/63/49/62/564634962.db2.gz ZQGAARBHESNCHD-OAHLLOKOSA-N 1 0 386.480 2.529 20 0 GFADRO C[C@H]1CCC[N@H+](CCNC(=O)C(=O)N(C)Cc2ccc(Cl)c(Cl)c2)C1 ZINC000551048569 564636349 /nfs/dbraw/zinc/63/63/49/564636349.db2.gz GSTLGCGACVUFHQ-ZDUSSCGKSA-N 1 0 386.323 2.800 20 0 GFADRO O=C(N[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)N[C@H]1C[NH2+]CCC1(F)F ZINC000573465038 564639168 /nfs/dbraw/zinc/63/91/68/564639168.db2.gz ODZRDMLWBYUHKC-RDBSUJKOSA-N 1 0 377.794 2.606 20 0 GFADRO O=C(N[C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)N[C@@H]1C[NH2+]CCC1(F)F ZINC000573465037 564639350 /nfs/dbraw/zinc/63/93/50/564639350.db2.gz ODZRDMLWBYUHKC-MGPQQGTHSA-N 1 0 377.794 2.606 20 0 GFADRO CSC1(CNC(=O)NC[C@]2(C)OCCc3sccc32)CC[NH+](C)CC1 ZINC000573471935 564639528 /nfs/dbraw/zinc/63/95/28/564639528.db2.gz CTZDDPSQIBODOB-KRWDZBQOSA-N 1 0 383.583 2.663 20 0 GFADRO Cc1c(Cl)cccc1-n1ccnc1SCC(=O)NCC1=CC[NH2+]CC1 ZINC000573501948 564641768 /nfs/dbraw/zinc/64/17/68/564641768.db2.gz GAZFEXFFDTWIBV-UHFFFAOYSA-N 1 0 376.913 2.962 20 0 GFADRO CC[C@H]1C[N@H+](C)CCCN1S(=O)(=O)c1cccc(Br)c1F ZINC000522035802 564642548 /nfs/dbraw/zinc/64/25/48/564642548.db2.gz FJVUGDXTNVMDFW-NSHDSACASA-N 1 0 379.295 2.693 20 0 GFADRO CC(C)(C[NH+]1CCCC1)NC(=O)CCNC(=O)c1ccc(Br)cc1 ZINC000457027901 564643184 /nfs/dbraw/zinc/64/31/84/564643184.db2.gz IZWZKUCAXWRBKP-UHFFFAOYSA-N 1 0 396.329 2.560 20 0 GFADRO CC(C)c1noc(CCC[NH2+]C[C@@H](O)COc2cccc(Br)c2)n1 ZINC000573557027 564643570 /nfs/dbraw/zinc/64/35/70/564643570.db2.gz NJEUEBDQGJPGBB-CQSZACIVSA-N 1 0 398.301 2.918 20 0 GFADRO CN(C(=O)NCCC1=CC[NH2+]CC1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000573584163 564645348 /nfs/dbraw/zinc/64/53/48/564645348.db2.gz WXSPDQVOOBDNDB-SJORKVTESA-N 1 0 384.307 2.903 20 0 GFADRO CC(C)[C@@H](C[NH2+]CCC(=O)Nc1cccc(Br)c1)N1CCOCC1 ZINC000573603455 564645857 /nfs/dbraw/zinc/64/58/57/564645857.db2.gz ZOSUPVWHZOSAPH-QGZVFWFLSA-N 1 0 398.345 2.724 20 0 GFADRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(F)c(I)c2)C1 ZINC000457098843 564646127 /nfs/dbraw/zinc/64/61/27/564646127.db2.gz UQGKZRKHKIZOAF-LBPRGKRZSA-N 1 0 390.240 2.985 20 0 GFADRO COc1cc(Br)c(CN2CCC[C@@H]([NH+]3CCOCC3)CC2)cc1O ZINC000573623479 564647103 /nfs/dbraw/zinc/64/71/03/564647103.db2.gz BAHHDBCPFMLIIO-OAHLLOKOSA-N 1 0 399.329 2.850 20 0 GFADRO Cc1cc(Br)c(C[NH2+][C@H]2CCO[C@]3(CCS(=O)(=O)C3)C2)s1 ZINC000573675269 564648703 /nfs/dbraw/zinc/64/87/03/564648703.db2.gz GGEXMGFVBGHNRA-SMDDNHRTSA-N 1 0 394.356 2.645 20 0 GFADRO COCC[C@@H]([NH2+]CCC(=O)N1CCN(C)CC1)c1ccc(Cl)c(Cl)c1 ZINC000551424034 564649570 /nfs/dbraw/zinc/64/95/70/564649570.db2.gz UJCXVWMQOKEQCX-QGZVFWFLSA-N 1 0 388.339 2.825 20 0 GFADRO C[C@@H]1[C@H](C)[NH2+]CCN1S(=O)(=O)c1ccc2ccccc2c1Br ZINC000573684460 564649690 /nfs/dbraw/zinc/64/96/90/564649690.db2.gz WZUMERAKUMSTHB-NWDGAFQWSA-N 1 0 383.311 2.973 20 0 GFADRO C[C@H](C[NH+]1CCC(C)CC1)NS(=O)(=O)c1ccccc1Br ZINC000573743425 564651327 /nfs/dbraw/zinc/65/13/27/564651327.db2.gz LYOQCCDELLYYPN-CYBMUJFWSA-N 1 0 375.332 2.848 20 0 GFADRO C[C@H]([NH2+]C[C@@H](O)COC[C@@H]1CCCO1)c1ccc(Br)cc1F ZINC000573845908 564656737 /nfs/dbraw/zinc/65/67/37/564656737.db2.gz DFMPGDFXFQJWFH-YUTCNCBUSA-N 1 0 376.266 2.795 20 0 GFADRO C[C@H]1CCN(C(=O)c2c(F)cccc2I)[C@@H](C)[C@H]1[NH3+] ZINC000457361045 564658634 /nfs/dbraw/zinc/65/86/34/564658634.db2.gz GIEZOXMMYVSYNM-RVBZMBCESA-N 1 0 376.213 2.628 20 0 GFADRO C[C@@H]1[C@H]([NH3+])CCCN1C(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 ZINC000457357935 564658663 /nfs/dbraw/zinc/65/86/63/564658663.db2.gz LLFIIRQVAKYIDQ-LYRGGWFBSA-N 1 0 384.307 2.936 20 0 GFADRO COC[C@]1(CNC(=O)[C@H](C)Sc2ccc(Br)cc2)CCC[NH2+]1 ZINC000573913623 564659585 /nfs/dbraw/zinc/65/95/85/564659585.db2.gz BOWNMVFHDDYADK-BLLLJJGKSA-N 1 0 387.343 2.815 20 0 GFADRO COCCOC[C@@H](O)C[NH2+][C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1 ZINC000573913212 564660059 /nfs/dbraw/zinc/66/00/59/564660059.db2.gz APSBHMUTKQLHJH-CABCVRRESA-N 1 0 377.312 2.576 20 0 GFADRO CCC[N@@H+]1CC[C@H](CNCCS(=O)(=O)c2cccc(Br)c2)C1 ZINC000573954732 564661664 /nfs/dbraw/zinc/66/16/64/564661664.db2.gz SUMDCVSPWDOWDE-CQSZACIVSA-N 1 0 389.359 2.544 20 0 GFADRO C[C@@H](NC(=O)NC[C@@H]1CCCC[N@@H+]1CCO)c1ccc(Br)cc1 ZINC000457447406 564661848 /nfs/dbraw/zinc/66/18/48/564661848.db2.gz FJLSCLIGZFCOBO-CJNGLKHVSA-N 1 0 384.318 2.656 20 0 GFADRO C[N@@H+]1CC[C@H]2CCN(c3ncnc4ccc(I)cc43)[C@H]2C1 ZINC000486680170 564662088 /nfs/dbraw/zinc/66/20/88/564662088.db2.gz BMKLJVHTKANSMJ-NHYWBVRUSA-N 1 0 394.260 2.765 20 0 GFADRO O=C(Cc1ccc(F)cc1Br)N1CC[C@@H](OCC[NH+]2CCCC2)C1 ZINC000486941733 564670561 /nfs/dbraw/zinc/67/05/61/564670561.db2.gz LYPTZGVSIJOHIV-MRXNPFEDSA-N 1 0 399.304 2.844 20 0 GFADRO CCOC(=O)CC[N@H+](C)[C@@H](C)C(=O)N(C)Cc1ccc(Br)cc1 ZINC000487044332 564673503 /nfs/dbraw/zinc/67/35/03/564673503.db2.gz RTZLHELCJUMTFC-ZDUSSCGKSA-N 1 0 385.302 2.681 20 0 GFADRO CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@@H]1CCO[C@H]1c1cncc(Br)c1 ZINC000457827972 564674911 /nfs/dbraw/zinc/67/49/11/564674911.db2.gz IPXSUGVMFPEJMS-DFBGVHRSSA-N 1 0 384.318 2.957 20 0 GFADRO C[C@@H]([NH2+]Cc1ccc(C[S@](C)=O)cc1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000552074118 564675757 /nfs/dbraw/zinc/67/57/57/564675757.db2.gz BKIISVHEIPCDGO-OZAJXLCCSA-N 1 0 383.510 2.959 20 0 GFADRO COC(=O)c1csc([C@H](C)[NH2+]CCOc2ccc(S(C)(=O)=O)cc2)c1 ZINC000552247481 564682531 /nfs/dbraw/zinc/68/25/31/564682531.db2.gz QMNJQSUKDGKGLT-LBPRGKRZSA-N 1 0 383.491 2.668 20 0 GFADRO COC(=O)C[C@](C)(NC(=O)[C@@H]1C[N@H+](C)C[C@H]1C)c1ccc(Br)cc1 ZINC000487311771 564682563 /nfs/dbraw/zinc/68/25/63/564682563.db2.gz UPSCXFVVEWQBRD-DWQUBVKVSA-N 1 0 397.313 2.541 20 0 GFADRO CCN(CC)S(=O)(=O)c1ccc(CN[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)s1 ZINC000552227512 564682892 /nfs/dbraw/zinc/68/28/92/564682892.db2.gz AVIKOPBNZJQLKL-GVDBMIGSSA-N 1 0 385.599 2.741 20 0 GFADRO O=C(NCC[C@H]1CC[NH2+]C1)N1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000574668074 564683240 /nfs/dbraw/zinc/68/32/40/564683240.db2.gz XNMYSYBDMHMLJB-CJNGLKHVSA-N 1 0 382.302 2.532 20 0 GFADRO C[N@@H+]1CC[C@H](Nc2cnc(N3CCOCC3)c(Br)c2)[C@@H]2CCC[C@H]21 ZINC000552257744 564683243 /nfs/dbraw/zinc/68/32/43/564683243.db2.gz UXJKCZHEGGHJIM-BHYGNILZSA-N 1 0 395.345 2.965 20 0 GFADRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)C1=Cc2cc(Br)ccc2OC1 ZINC000524577546 564683475 /nfs/dbraw/zinc/68/34/75/564683475.db2.gz PEAQHGXWKBVQHE-LBPRGKRZSA-N 1 0 377.282 2.825 20 0 GFADRO C[C@H]1CC[N@H+](CC(=O)NC2CCN(Cc3cccc(Br)c3)CC2)C1 ZINC000574651626 564683617 /nfs/dbraw/zinc/68/36/17/564683617.db2.gz SEZDVVWERBXTHZ-HNNXBMFYSA-N 1 0 394.357 2.872 20 0 GFADRO C[C@@H]([NH2+]C[C@H]1CCCCN1S(C)(=O)=O)c1sccc1Br ZINC000552332325 564686337 /nfs/dbraw/zinc/68/63/37/564686337.db2.gz MBSZCKSZPSNTAP-GHMZBOCLSA-N 1 0 381.361 2.975 20 0 GFADRO CCOc1c(Br)cc(C(=O)NCC[N@@H+]2CC[C@@H](C)C2)cc1OC ZINC000524720162 564686703 /nfs/dbraw/zinc/68/67/03/564686703.db2.gz ZSPBBJSCDKMHDV-GFCCVEGCSA-N 1 0 385.302 2.928 20 0 GFADRO OC[C@@H]1CCC[C@@H]([NH2+]C[C@@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000574917245 564689029 /nfs/dbraw/zinc/68/90/29/564689029.db2.gz YUCRXPMRVNEVKH-MRVWCRGKSA-N 1 0 392.721 2.983 20 0 GFADRO CCOc1ccc(C[NH2+]CCNS(=O)(=O)c2cc(C)sc2C)cc1F ZINC000487543970 564690346 /nfs/dbraw/zinc/69/03/46/564690346.db2.gz VYDZLFPQXVAXIO-UHFFFAOYSA-N 1 0 386.514 2.971 20 0 GFADRO CC1(C)[C@H]([NH2+]Cc2cc(=O)n3cc(Br)ccc3n2)[C@H]2CCCO[C@@H]21 ZINC000575001524 564690973 /nfs/dbraw/zinc/69/09/73/564690973.db2.gz XITFZAKMOPOJAI-XYPHTWIQSA-N 1 0 392.297 2.750 20 0 GFADRO C[N@@H+]1CCC[C@H](CCNC(=O)c2ccc(I)c(F)c2)C1 ZINC000458176012 564692944 /nfs/dbraw/zinc/69/29/44/564692944.db2.gz UEJKRLTWWUVDNG-LLVKDONJSA-N 1 0 390.240 2.892 20 0 GFADRO CC(=O)N[C@H](CC(=O)N(CC[NH+](C)C)Cc1ccsc1)c1cccs1 ZINC000458205156 564693830 /nfs/dbraw/zinc/69/38/30/564693830.db2.gz RSYAZNYCKAYLMB-MRXNPFEDSA-N 1 0 379.551 2.967 20 0 GFADRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)C(=O)NCCc2cc(Cl)cc(Cl)c2)C1 ZINC000552507730 564694184 /nfs/dbraw/zinc/69/41/84/564694184.db2.gz OJHVSLFEBOJHRD-CVEARBPZSA-N 1 0 386.323 2.641 20 0 GFADRO COC(=O)CCN(Cc1cccc(Br)c1)C(=O)[C@H]1C[N@H+](C)C[C@@H]1C ZINC000487692564 564694895 /nfs/dbraw/zinc/69/48/95/564694895.db2.gz ILQSSYATBMJTSH-BBRMVZONSA-N 1 0 397.313 2.539 20 0 GFADRO COCCC[N@H+](C)CCNC(=O)N[C@H]1C[C@@H]1c1cccc(Br)c1 ZINC000525255432 564696514 /nfs/dbraw/zinc/69/65/14/564696514.db2.gz GWJJDFJZIHBPSL-CVEARBPZSA-N 1 0 384.318 2.573 20 0 GFADRO C[C@H]1CC[N@H+](CCNC(=O)[C@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)C1 ZINC000525293061 564698587 /nfs/dbraw/zinc/69/85/87/564698587.db2.gz TYLYPYCABYKMCM-GXTWGEPZSA-N 1 0 384.307 2.804 20 0 GFADRO Cc1nc2cc(Cl)c(NC(=O)C(=O)NCC[N@H+]3CC[C@@H](C)C3)cc2s1 ZINC000575411079 564698613 /nfs/dbraw/zinc/69/86/13/564698613.db2.gz FFTJNLOEQDSTPV-SNVBAGLBSA-N 1 0 380.901 2.655 20 0 GFADRO Cc1cc(CNC(=O)NCC2([NH+](C)C)CCOCC2)ccc1Br ZINC000458386226 564699652 /nfs/dbraw/zinc/69/96/52/564699652.db2.gz DGDCJSJHZWOGHN-UHFFFAOYSA-N 1 0 384.318 2.668 20 0 GFADRO O=C(Cn1cc(Br)cn1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000487950109 564699919 /nfs/dbraw/zinc/69/99/19/564699919.db2.gz RVGHAQXVIHCQLZ-OAHLLOKOSA-N 1 0 383.334 2.760 20 0 GFADRO FC(F)(F)COCCC[NH+]1CCN(c2cncc(Br)c2)CC1 ZINC000552806189 564700628 /nfs/dbraw/zinc/70/06/28/564700628.db2.gz QYGWQQHVRDEDTD-UHFFFAOYSA-N 1 0 382.224 2.935 20 0 GFADRO COCCC[N@H+](C)CCNC(=O)N1CCC[C@@H]1c1ccc(Br)cn1 ZINC000458444514 564702565 /nfs/dbraw/zinc/70/25/65/564702565.db2.gz PBPSGDVRPKVELP-MRXNPFEDSA-N 1 0 399.333 2.659 20 0 GFADRO CC[N@@H+]1CCCN(C(=O)C(=O)N[C@H](C)Cc2ccc(Cl)cc2Cl)CC1 ZINC000552867722 564703222 /nfs/dbraw/zinc/70/32/22/564703222.db2.gz OLHAAZXIUUHMBJ-CYBMUJFWSA-N 1 0 386.323 2.595 20 0 GFADRO COC(=O)c1ccc(S(=O)(=O)NCC[NH+]2[C@H](C)CCC[C@H]2C)c(Cl)c1 ZINC000552883106 564703543 /nfs/dbraw/zinc/70/35/43/564703543.db2.gz PHJVOZAATLZZLJ-CHWSQXEVSA-N 1 0 388.917 2.668 20 0 GFADRO CCS(=O)(=O)NCCCN1CC[C@](F)(c2cccc(C(F)(F)F)c2)C1 ZINC000575764046 564703893 /nfs/dbraw/zinc/70/38/93/564703893.db2.gz OSPZEQDHCQNRPZ-OAHLLOKOSA-N 1 0 382.423 2.905 20 0 GFADRO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)c1c(F)cccc1I ZINC000576028397 564704939 /nfs/dbraw/zinc/70/49/39/564704939.db2.gz SXEOGGNOKQTWIZ-JOYOIKCWSA-N 1 0 376.213 2.678 20 0 GFADRO C[C@H](Cc1ccccc1Br)NC(=O)NC[C@H]1CCCC[N@@H+]1CCO ZINC000458534645 564705380 /nfs/dbraw/zinc/70/53/80/564705380.db2.gz DUPJTVLMHQBVSO-GDBMZVCRSA-N 1 0 398.345 2.526 20 0 GFADRO C[N@H+](CC(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1)[C@@H]1CCSC1 ZINC000488166338 564705430 /nfs/dbraw/zinc/70/54/30/564705430.db2.gz IMKLRYVPZGEQLS-GDBMZVCRSA-N 1 0 398.370 2.581 20 0 GFADRO CCCN(CC[NH+]1CCCC1)C(=O)CNC(=O)c1ccc(Br)cc1 ZINC000553064328 564708088 /nfs/dbraw/zinc/70/80/88/564708088.db2.gz MGETWBNXCZQESN-UHFFFAOYSA-N 1 0 396.329 2.513 20 0 GFADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@@H]1COc2c1ccc(Cl)c2Cl ZINC000525771638 564708552 /nfs/dbraw/zinc/70/85/52/564708552.db2.gz BAIAOLRAGHFJQA-SMDDNHRTSA-N 1 0 388.295 2.837 20 0 GFADRO CCOc1c(Cl)cc(NC(=O)C(=O)N(C)CCC[NH+](C)C)cc1Cl ZINC000525853210 564711258 /nfs/dbraw/zinc/71/12/58/564711258.db2.gz VGUCSZQMSXWSCH-UHFFFAOYSA-N 1 0 376.284 2.741 20 0 GFADRO C[NH+](C)C1(CNC(=O)c2ccc(-n3cc(Br)cn3)cc2)CCC1 ZINC000525871538 564712240 /nfs/dbraw/zinc/71/22/40/564712240.db2.gz QZVZUIXVZMZKAX-UHFFFAOYSA-N 1 0 377.286 2.849 20 0 GFADRO C[NH+](C)[C@H]1CCCN(C(=O)C2(c3cccc(Br)c3)CC(=O)C2)C1 ZINC000553258820 564714067 /nfs/dbraw/zinc/71/40/67/564714067.db2.gz JWLMSNIAQLIYGG-HNNXBMFYSA-N 1 0 379.298 2.602 20 0 GFADRO CCS(=O)(=O)N1CCC(C[NH2+][C@@H]2CCSc3ccc(OC)cc32)CC1 ZINC000525973447 564714247 /nfs/dbraw/zinc/71/42/47/564714247.db2.gz GLBVUCDPARIQPA-QGZVFWFLSA-N 1 0 384.567 2.883 20 0 GFADRO O=C(CCOc1ccc(Cl)c(Cl)c1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000488803885 564721072 /nfs/dbraw/zinc/72/10/72/564721072.db2.gz YXHYOJVRJNISFG-CQSZACIVSA-N 1 0 387.307 2.943 20 0 GFADRO O=C(NCC[C@@H]1CC[NH2+]C1)[C@H](c1ccc(Br)cc1)N1CCCC1 ZINC000576941689 564721217 /nfs/dbraw/zinc/72/12/17/564721217.db2.gz OFELFFOEYATYPA-YOEHRIQHSA-N 1 0 380.330 2.702 20 0 GFADRO CC(C)(C)Oc1nc(N2CC[NH+](C3CCOCC3)CC2)ncc1Br ZINC000553489392 564722364 /nfs/dbraw/zinc/72/23/64/564722364.db2.gz LPBHHFBFCXVKDL-UHFFFAOYSA-N 1 0 399.333 2.717 20 0 GFADRO CCCC[N@H+](C)CCNC(=O)[C@H]1CSCN1C(=O)c1ccc(Cl)cc1 ZINC000488863138 564722507 /nfs/dbraw/zinc/72/25/07/564722507.db2.gz PRLQXJPDIJNQJJ-MRXNPFEDSA-N 1 0 383.945 2.703 20 0 GFADRO C[NH+](C)C[C@@H](CNC(=O)Cn1cc(Br)cn1)c1ccc(Cl)cc1 ZINC000576999595 564722627 /nfs/dbraw/zinc/72/26/27/564722627.db2.gz YXNRHKFBIVYHEQ-CYBMUJFWSA-N 1 0 399.720 2.761 20 0 GFADRO CS(=O)(=O)N1CC[C@H]([NH2+][C@@H](c2ccc(Br)s2)C2CC2)C1 ZINC000576998665 564722779 /nfs/dbraw/zinc/72/27/79/564722779.db2.gz OQCQACBYGWQORX-GXFFZTMASA-N 1 0 379.345 2.585 20 0 GFADRO [NH3+]CC1(NC(=O)Nc2ccc(-c3ccc(Br)s3)nn2)CCCC1 ZINC000577044157 564723560 /nfs/dbraw/zinc/72/35/60/564723560.db2.gz BSHHQJSHUSHLRW-UHFFFAOYSA-N 1 0 396.314 3.361 20 0 GFADRO O=C(N[C@H]1CCc2sc(Cl)cc21)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000577047426 564723768 /nfs/dbraw/zinc/72/37/68/564723768.db2.gz AWDYWIWOKJZWMA-PIMMBPRGSA-N 1 0 382.961 2.904 20 0 GFADRO Cc1nc(CNC(=O)N2CC[N@@H+](C)C[C@H]2C(C)C)sc1Br ZINC000458926447 564723893 /nfs/dbraw/zinc/72/38/93/564723893.db2.gz LHYCYGQMTWHUNA-NSHDSACASA-N 1 0 375.336 2.696 20 0 GFADRO Cc1nc(CNC(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)sc1Br ZINC000458921253 564724138 /nfs/dbraw/zinc/72/41/38/564724138.db2.gz GTZMFIGLUHRQCJ-RYUDHWBXSA-N 1 0 387.347 2.840 20 0 GFADRO COc1cc(Cl)c(Cl)cc1C(=O)NC[C@H](O)C[NH+]1CCC(C)CC1 ZINC000488953244 564725331 /nfs/dbraw/zinc/72/53/31/564725331.db2.gz XQKKQGRAIPDTAY-LBPRGKRZSA-N 1 0 375.296 2.825 20 0 GFADRO C[C@H](NC(=O)NC1CCC(C[NH+](C)C)CC1)c1ncc(Br)cn1 ZINC000577133905 564726495 /nfs/dbraw/zinc/72/64/95/564726495.db2.gz XXSNPAXOSRNHMY-DCBWTQNWSA-N 1 0 384.322 2.720 20 0 GFADRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1S(=O)(=O)c1ccccc1OC(F)(F)F ZINC000553559514 564726921 /nfs/dbraw/zinc/72/69/21/564726921.db2.gz IWRNEJXFLBFXCX-STQMWFEESA-N 1 0 378.416 2.833 20 0 GFADRO C[N@H+](CC(=O)N1CCc2cc(Br)cc(F)c2C1)[C@H]1CCSC1 ZINC000527029484 564727040 /nfs/dbraw/zinc/72/70/40/564727040.db2.gz FSZLSCAZAYGRHK-ZDUSSCGKSA-N 1 0 387.318 2.910 20 0 GFADRO C[C@@H](C[NH+](C)C)NS(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000553577051 564728646 /nfs/dbraw/zinc/72/86/46/564728646.db2.gz VZXGRFCQMVWKRU-QMMMGPOBSA-N 1 0 378.338 2.953 20 0 GFADRO C[N@@H+]1CC[C@H]2[C@H](CCCN2S(=O)(=O)Cc2ccccc2Br)C1 ZINC000577284187 564732923 /nfs/dbraw/zinc/73/29/23/564732923.db2.gz NBBBUPDIIMXSLR-CJNGLKHVSA-N 1 0 387.343 2.695 20 0 GFADRO C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+]1CC[C@](O)(C2CC2)C1 ZINC000489226536 564733537 /nfs/dbraw/zinc/73/35/37/564733537.db2.gz XDTYMFPKEDZAKG-FZKQIMNGSA-N 1 0 381.314 2.643 20 0 GFADRO C[N@H+](CC1CC1)C[C@H]1CCN([C@@H](C(N)=O)c2cccc(Br)c2)C1 ZINC000489294062 564735120 /nfs/dbraw/zinc/73/51/20/564735120.db2.gz QDMDEIRKBNEHQJ-RHSMWYFYSA-N 1 0 380.330 2.639 20 0 GFADRO CN(CC[N@H+](C)C1CC1)C(=O)NCc1nc2c(cccc2Br)[nH]1 ZINC000459225849 564737640 /nfs/dbraw/zinc/73/76/40/564737640.db2.gz YANCRBUGPXAIGR-UHFFFAOYSA-N 1 0 380.290 2.561 20 0 GFADRO CCOCC[N@H+](CC)[C@@H](C)C(=O)Nc1ccc(I)cc1 ZINC000489424887 564740058 /nfs/dbraw/zinc/74/00/58/564740058.db2.gz QMLJFLGKPQLMNV-LBPRGKRZSA-N 1 0 390.265 2.977 20 0 GFADRO C[N@H+](CCn1cc(Cl)cn1)C[C@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000459343776 564740729 /nfs/dbraw/zinc/74/07/29/564740729.db2.gz LZDKGYZJJRWHKD-AWEZNQCLSA-N 1 0 377.794 2.927 20 0 GFADRO CN(C)S(=O)(=O)c1ccccc1CNCc1cccc(O)c1Br ZINC000459374744 564741247 /nfs/dbraw/zinc/74/12/47/564741247.db2.gz YDEUEGVDAXAEJK-UHFFFAOYSA-N 1 0 399.310 2.695 20 0 GFADRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1S(=O)(=O)c1cccc(OC(F)(F)F)c1 ZINC000553894466 564743253 /nfs/dbraw/zinc/74/32/53/564743253.db2.gz YMFLJBYFBIXPIJ-IUODEOHRSA-N 1 0 378.416 2.833 20 0 GFADRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1S(=O)(=O)c1cccc(OC(F)(F)F)c1 ZINC000553894471 564743484 /nfs/dbraw/zinc/74/34/84/564743484.db2.gz YMFLJBYFBIXPIJ-WFASDCNBSA-N 1 0 378.416 2.833 20 0 GFADRO CCOc1cc(C[NH2+]CCN2CCOC(C)(C)C2)cc(Br)c1O ZINC000459435492 564745204 /nfs/dbraw/zinc/74/52/04/564745204.db2.gz VZCFBVBPQVJHEN-UHFFFAOYSA-N 1 0 387.318 2.754 20 0 GFADRO CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H](O)COc2ccc(Br)cc2)C1 ZINC000579345057 564747547 /nfs/dbraw/zinc/74/75/47/564747547.db2.gz UVTZBRYBCYBWHL-VHDGCEQUSA-N 1 0 386.286 2.510 20 0 GFADRO CS(=O)(=O)c1cc(C[NH2+]C[C@H](O)CC(F)(F)F)cc(C(F)(F)F)c1 ZINC000579465692 564748155 /nfs/dbraw/zinc/74/81/55/564748155.db2.gz BXUKKDAQNNALFE-SNVBAGLBSA-N 1 0 379.322 2.512 20 0 GFADRO CCOC(=O)[C@@]1(COC)CCCN(Cc2cccc(O)c2Br)C1 ZINC000459540589 564749510 /nfs/dbraw/zinc/74/95/10/564749510.db2.gz YACYNSYERDZATQ-KRWDZBQOSA-N 1 0 386.286 2.946 20 0 GFADRO CCOc1cc(CN2CC[C@@H](N3CCOCC3)[C@H]2C)cc(Br)c1O ZINC000459556453 564750009 /nfs/dbraw/zinc/75/00/09/564750009.db2.gz BFLQDBLNMRCMLT-CZUORRHYSA-N 1 0 399.329 2.848 20 0 GFADRO Oc1cccc(CNC[C@H](N2CCOCC2)C(F)(F)F)c1Br ZINC000459549318 564750248 /nfs/dbraw/zinc/75/02/48/564750248.db2.gz NDUFEXVUFOLSII-LBPRGKRZSA-N 1 0 383.208 2.507 20 0 GFADRO COC[C@H]([NH2+]C[C@@H]1CCN(S(=O)(=O)c2cccs2)C1)c1ccccc1 ZINC000554094897 564750245 /nfs/dbraw/zinc/75/02/45/564750245.db2.gz LQIITRYAVOTLJI-RDJZCZTQSA-N 1 0 380.535 2.736 20 0 GFADRO COc1ccc(C[C@@H](CO)C[NH2+]Cc2cccc(O)c2Br)cc1O ZINC000459569437 564751530 /nfs/dbraw/zinc/75/15/30/564751530.db2.gz YCPLWJLEWZETJS-CYBMUJFWSA-N 1 0 396.281 2.810 20 0 GFADRO Fc1cc(Br)cnc1CNC[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000527632107 564752183 /nfs/dbraw/zinc/75/21/83/564752183.db2.gz PNALEKJEEJKTDM-MRXNPFEDSA-N 1 0 394.288 2.974 20 0 GFADRO O=C(Nc1cccc(Cl)c1Cl)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000579809260 564752370 /nfs/dbraw/zinc/75/23/70/564752370.db2.gz NDZNORJNCRMNPM-LBPRGKRZSA-N 1 0 385.295 2.669 20 0 GFADRO CON1CCC([N@H+](C)CC(=O)Nc2ccc(OC(F)F)c(Cl)c2)CC1 ZINC000459591933 564752427 /nfs/dbraw/zinc/75/24/27/564752427.db2.gz UANPSGAAUVQOHA-UHFFFAOYSA-N 1 0 377.819 2.838 20 0 GFADRO O=S1(=O)CCC[C@H]([NH2+]Cc2c[nH]nc2-c2ccc(Br)s2)C1 ZINC000527660157 564753113 /nfs/dbraw/zinc/75/31/13/564753113.db2.gz FPXXMRKNRJSKCB-JTQLQIEISA-N 1 0 390.328 2.568 20 0 GFADRO CC[NH+](CC)CCNC(=O)N1CCN(c2cccc(Br)c2)CC1 ZINC000554215154 564753796 /nfs/dbraw/zinc/75/37/96/564753796.db2.gz ZMERVQQYDSYCQK-UHFFFAOYSA-N 1 0 383.334 2.623 20 0 GFADRO CO[C@@H](C[NH2+]C[C@H](O)COc1cc(F)cc(Br)c1)CC(C)C ZINC000580305812 564755532 /nfs/dbraw/zinc/75/55/32/564755532.db2.gz VYTALUAWPPPVGS-GOEBONIOSA-N 1 0 378.282 2.979 20 0 GFADRO OC[C@H](C[NH2+]C1CCN(C2CC2)CC1)Cc1cc(F)cc(Br)c1 ZINC000459690837 564756380 /nfs/dbraw/zinc/75/63/80/564756380.db2.gz FRVIGYSGFOJUEF-AWEZNQCLSA-N 1 0 385.321 2.956 20 0 GFADRO C[NH2+]C[C@@H]1CCCN(C(=O)c2ccc(-n3cc(Br)cn3)cc2)C1 ZINC000554294282 564756672 /nfs/dbraw/zinc/75/66/72/564756672.db2.gz LHGIKRIMUSZFIJ-ZDUSSCGKSA-N 1 0 377.286 2.706 20 0 GFADRO COc1cc(C[NH2+]C[C@@H]2CCCCN2S(C)(=O)=O)cc(C(F)(F)F)c1 ZINC000527710119 564757501 /nfs/dbraw/zinc/75/75/01/564757501.db2.gz WANDKMJWTBXYHP-AWEZNQCLSA-N 1 0 380.432 2.618 20 0 GFADRO COC[C@@H]([NH2+]C[C@@]1(N2CCOCC2)CCSC1)c1cccc(Cl)c1F ZINC000554350090 564757862 /nfs/dbraw/zinc/75/78/62/564757862.db2.gz ZRYBKIOHCNYCIL-AEFFLSMTSA-N 1 0 388.936 2.964 20 0 GFADRO Cc1cc(C[NH2+]CC2(N3CCOCC3)CCOCC2)ccc1Br ZINC000459710205 564757951 /nfs/dbraw/zinc/75/79/51/564757951.db2.gz LMZGZHPTBKJYLQ-UHFFFAOYSA-N 1 0 383.330 2.729 20 0 GFADRO O=C(CSCC1CC[NH2+]CC1)NCCc1ccc(OC(F)(F)F)cc1 ZINC000580428525 564758220 /nfs/dbraw/zinc/75/82/20/564758220.db2.gz QJUDQVBIPXRXTA-UHFFFAOYSA-N 1 0 376.444 2.977 20 0 GFADRO O=S(=O)(c1ccc(Br)c(Cl)c1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000489968297 564758615 /nfs/dbraw/zinc/75/86/15/564758615.db2.gz XAVXVNXYGXLLFP-CQSZACIVSA-N 1 0 393.734 2.867 20 0 GFADRO CCc1nnc(NC(=O)[C@H](C)[C@H](C)[NH2+][C@H]2CCO[C@@H](C(F)(F)F)C2)s1 ZINC000554371695 564758815 /nfs/dbraw/zinc/75/88/15/564758815.db2.gz VCGCPKDMZKTNFW-VPOLOUISSA-N 1 0 380.436 2.763 20 0 GFADRO CN(C)C(=O)N1CCC([NH2+]Cc2ccc(Br)c(F)c2F)CC1 ZINC000527793201 564761709 /nfs/dbraw/zinc/76/17/09/564761709.db2.gz WIMCJVWCIFKSEE-UHFFFAOYSA-N 1 0 376.245 2.963 20 0 GFADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+]Cc1cccnc1C ZINC000527793504 564761822 /nfs/dbraw/zinc/76/18/22/564761822.db2.gz JUQDUIUIZABYKI-CYBMUJFWSA-N 1 0 392.297 2.956 20 0 GFADRO O=C(N[C@@H]1C[NH2+]CCC1(F)F)N1CCO[C@H](c2ccc(F)cc2Cl)C1 ZINC000580540815 564763149 /nfs/dbraw/zinc/76/31/49/564763149.db2.gz SEAHDVGEODGCNT-UONOGXRCSA-N 1 0 377.794 2.559 20 0 GFADRO C[C@H]([NH2+]C1CCN(S(C)(=O)=O)CC1)c1cc(F)c(Br)cc1F ZINC000527853091 564763259 /nfs/dbraw/zinc/76/32/59/564763259.db2.gz YJFSIBBUCFOTSZ-VIFPVBQESA-N 1 0 397.285 2.802 20 0 GFADRO O=C(Nc1cnn(-c2ccccc2Br)c1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000580529904 564763399 /nfs/dbraw/zinc/76/33/99/564763399.db2.gz NLHOLPCQHZCSNK-CQSZACIVSA-N 1 0 390.285 2.993 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)C(=O)N(C)Cc1ccc(Cl)c(Cl)c1 ZINC000459857434 564763518 /nfs/dbraw/zinc/76/35/18/564763518.db2.gz WAPSAHBVYMOPSX-CQSZACIVSA-N 1 0 386.323 2.895 20 0 GFADRO C[C@H]([NH2+]CCC(=O)N1CCOCC1)c1cc(F)c(Br)cc1F ZINC000527849827 564763567 /nfs/dbraw/zinc/76/35/67/564763567.db2.gz IQMRAOVYRTYOCH-JTQLQIEISA-N 1 0 377.229 2.627 20 0 GFADRO O[C@@H](C[NH2+]CCc1cc(Cl)ccc1Br)COC1CCOCC1 ZINC000580553844 564764289 /nfs/dbraw/zinc/76/42/89/564764289.db2.gz IAIMYRFZJQCPBA-AWEZNQCLSA-N 1 0 392.721 2.791 20 0 GFADRO O=C(NCC[NH+]1CCC1)NCC1(c2cccc(Br)c2)CCOCC1 ZINC000554556815 564765390 /nfs/dbraw/zinc/76/53/90/564765390.db2.gz FTVVRKKJMHBTPB-UHFFFAOYSA-N 1 0 396.329 2.502 20 0 GFADRO CC[C@H]([NH2+]C[C@@H](O)[C@H]1CCCO1)c1ccc(I)cc1 ZINC000527956629 564766432 /nfs/dbraw/zinc/76/64/32/564766432.db2.gz RCBGQLPRKRMDFG-RRFJBIMHSA-N 1 0 375.250 2.872 20 0 GFADRO C[N@@H+]1CC[C@H]2CCN(C(=O)CCOc3ccc(Br)cc3F)[C@@H]2C1 ZINC000490275909 564767315 /nfs/dbraw/zinc/76/73/15/564767315.db2.gz QNECLHWCYNCUAA-SWLSCSKDSA-N 1 0 385.277 2.910 20 0 GFADRO CC[NH+]1CCC(CNC(=O)[C@@](N)(c2cccc(Cl)c2)C(F)(F)F)CC1 ZINC000554586738 564767674 /nfs/dbraw/zinc/76/76/74/564767674.db2.gz AJAGDXGDLAYWPC-INIZCTEOSA-N 1 0 377.838 2.904 20 0 GFADRO Cc1cc2c(cc1S(=O)(=O)N(CC[NH+](C)C)Cc1ccsc1)OCO2 ZINC000580631458 564767782 /nfs/dbraw/zinc/76/77/82/564767782.db2.gz WNJDVLGWXZWXEJ-UHFFFAOYSA-N 1 0 382.507 2.538 20 0 GFADRO O=S(=O)(N[C@H]1CC[NH2+]C12CCC2)c1cc(Cl)ccc1Br ZINC000528051149 564767991 /nfs/dbraw/zinc/76/79/91/564767991.db2.gz IISHKIMNQJXZEL-LBPRGKRZSA-N 1 0 379.707 2.665 20 0 GFADRO O=S(=O)(N[C@@H]1CC[NH2+]C12CCC2)c1ccc(Cl)cc1Br ZINC000528050986 564768118 /nfs/dbraw/zinc/76/81/18/564768118.db2.gz HRIYZBGZISPOKZ-GFCCVEGCSA-N 1 0 379.707 2.665 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)C(=O)N(C)Cc1cc(Cl)cc(Cl)c1 ZINC000460001822 564768173 /nfs/dbraw/zinc/76/81/73/564768173.db2.gz AXNLPPNPMJBQEG-INIZCTEOSA-N 1 0 386.323 2.895 20 0 GFADRO COc1ccc(C[NH2+][C@H]2CCN(S(=O)(=O)c3ccccc3)C2)cc1Cl ZINC000554720625 564771636 /nfs/dbraw/zinc/77/16/36/564771636.db2.gz ABQVTULHKDRENS-HNNXBMFYSA-N 1 0 380.897 2.901 20 0 GFADRO CCn1c(-c2cc(Br)cn2C)nnc1N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000460314192 564774360 /nfs/dbraw/zinc/77/43/60/564774360.db2.gz SBANAZXKHFMBOC-CQSZACIVSA-N 1 0 393.333 2.739 20 0 GFADRO Nc1nccc([C@H]2CCC[N@H+](CCOc3ccc(Br)cc3)C2)n1 ZINC000554840421 564774566 /nfs/dbraw/zinc/77/45/66/564774566.db2.gz VQYHZMVYVHPVMV-ZDUSSCGKSA-N 1 0 377.286 3.080 20 0 GFADRO CS[C@@H]1CN([C@@H](C)C(=O)NCc2ccccc2Cl)C[C@@H]1[NH+]1CCCC1 ZINC000460354322 564775116 /nfs/dbraw/zinc/77/51/16/564775116.db2.gz SNOZSLOOMOVZRX-JCGIZDLHSA-N 1 0 381.973 2.856 20 0 GFADRO C[N@@H+]1CC[C@@]2(CCN(C(=O)NCc3ccc(Br)c(F)c3F)C2)C1 ZINC000528257818 564775376 /nfs/dbraw/zinc/77/53/76/564775376.db2.gz ZOYDARSQEISPFR-MRXNPFEDSA-N 1 0 388.256 2.965 20 0 GFADRO CSC1(C[NH+]2CCN(C(=O)COc3ccc(Br)cc3)CC2)CC1 ZINC000554856353 564775876 /nfs/dbraw/zinc/77/58/76/564775876.db2.gz PQYYZDIEWZNZOI-UHFFFAOYSA-N 1 0 399.354 2.868 20 0 GFADRO CN(C)CC[N@H+](C)CCCN(C)c1ncnc2ccc(Br)cc21 ZINC000580855755 564777718 /nfs/dbraw/zinc/77/77/18/564777718.db2.gz XIHCOMYQASXEIW-UHFFFAOYSA-N 1 0 380.334 2.712 20 0 GFADRO CCCC[N@H+](C)C[C@@H](C)NC(=O)c1cncc(I)c1 ZINC000555111410 564783935 /nfs/dbraw/zinc/78/39/35/564783935.db2.gz TUYQNKIHPAAXPU-LLVKDONJSA-N 1 0 375.254 2.536 20 0 GFADRO CCc1ncc(S(=O)(=O)NCc2ccc(OCCC[NH+](C)C)cc2)s1 ZINC000460958867 564786419 /nfs/dbraw/zinc/78/64/19/564786419.db2.gz LSOLZNCNNQBCNE-UHFFFAOYSA-N 1 0 383.539 2.515 20 0 GFADRO C[NH+](C)C[C@H](NC(=O)C(=O)Nc1ccc(Cl)cn1)c1ccc(Cl)cc1 ZINC000555325092 564789988 /nfs/dbraw/zinc/78/99/88/564789988.db2.gz GYFLMOILMWPZHM-AWEZNQCLSA-N 1 0 381.263 2.746 20 0 GFADRO Cc1c(Br)ccnc1NC(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000581180073 564791128 /nfs/dbraw/zinc/79/11/28/564791128.db2.gz FLTLOBDJVBJTSQ-GJZGRUSLSA-N 1 0 397.317 2.652 20 0 GFADRO CSC1(CNS(=O)(=O)c2ccc(C)c3ncccc23)CC[NH+](C)CC1 ZINC000581220040 564793474 /nfs/dbraw/zinc/79/34/74/564793474.db2.gz IJLQRMRQHWZJBO-UHFFFAOYSA-N 1 0 379.551 2.649 20 0 GFADRO Cc1cc(Br)cn2c(C[NH2+][C@@H](CCO)C3CCOCC3)cnc12 ZINC000461399556 564796058 /nfs/dbraw/zinc/79/60/58/564796058.db2.gz KPZLKMNMASUSKH-INIZCTEOSA-N 1 0 382.302 2.672 20 0 GFADRO O=C(C(=O)N1CC[C@H](C[NH+]2CCCCC2)C1)c1ccc(Br)cc1 ZINC000461420824 564796983 /nfs/dbraw/zinc/79/69/83/564796983.db2.gz BQECDSFENIZFOL-CQSZACIVSA-N 1 0 379.298 2.966 20 0 GFADRO Ic1ccc2ncnc(NCCC[NH+]3CCCC3)c2c1 ZINC000461461917 564797647 /nfs/dbraw/zinc/79/76/47/564797647.db2.gz GWLGKLUPQXHDHT-UHFFFAOYSA-N 1 0 382.249 3.132 20 0 GFADRO Cc1c(Br)cccc1CNC(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000581378945 564800069 /nfs/dbraw/zinc/80/00/69/564800069.db2.gz YFXDNTSHKUYWTN-INIZCTEOSA-N 1 0 386.359 2.994 20 0 GFADRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000581419135 564801209 /nfs/dbraw/zinc/80/12/09/564801209.db2.gz GZRLHSCOEBCYFI-WQVCFCJDSA-N 1 0 382.302 2.530 20 0 GFADRO CC1([NH+]2CCOCC2)CCN(Cc2cc3c(cc2Br)OCO3)CC1 ZINC000528731178 564802423 /nfs/dbraw/zinc/80/24/23/564802423.db2.gz RJRMJOHFGBMCSB-UHFFFAOYSA-N 1 0 397.313 2.865 20 0 GFADRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N[C@@H](C)c1ncc(Br)cn1 ZINC000581465638 564803160 /nfs/dbraw/zinc/80/31/60/564803160.db2.gz RSSBJUIHZBHWMW-AGIUHOORSA-N 1 0 384.322 2.720 20 0 GFADRO O=c1ccc([C@H]2CCC[N@H+]2C[C@@H](O)COc2ccc(Br)cc2)n[nH]1 ZINC000528787577 564805511 /nfs/dbraw/zinc/80/55/11/564805511.db2.gz AWOIRVKBEQSAAD-CZUORRHYSA-N 1 0 394.269 2.522 20 0 GFADRO CC(C)[C@H](CSc1ccccc1)[NH2+]CCNS(=O)(=O)Cc1ccon1 ZINC000493277867 564806544 /nfs/dbraw/zinc/80/65/44/564806544.db2.gz SEBBGEBAEZMOIN-KRWDZBQOSA-N 1 0 383.539 2.501 20 0 GFADRO CC(C)C[NH+]1CCC(NC(=O)C(=O)NCc2cccc(Cl)c2Cl)CC1 ZINC000555868926 564806715 /nfs/dbraw/zinc/80/67/15/564806715.db2.gz ISXPUTBOXWPGMB-UHFFFAOYSA-N 1 0 386.323 2.846 20 0 GFADRO CCCN1C[C@@H](C[NH2+]C[C@H](O)COc2cc(Cl)ccc2Cl)CC1=O ZINC000581543697 564807226 /nfs/dbraw/zinc/80/72/26/564807226.db2.gz RHGIIJOIZXUVIZ-OCCSQVGLSA-N 1 0 375.296 2.581 20 0 GFADRO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)C[NH2+][C@H]1CCC[C@]1(C)CO ZINC000493408906 564807743 /nfs/dbraw/zinc/80/77/43/564807743.db2.gz FDGYTPIWGDCQGH-SUMWQHHRSA-N 1 0 389.279 2.859 20 0 GFADRO O=C(CC[NH2+]C[C@@H](O)COc1ccccc1)Nc1cccc(Br)c1 ZINC000581573628 564808140 /nfs/dbraw/zinc/80/81/40/564808140.db2.gz FWKXRSVXRCEIMZ-MRXNPFEDSA-N 1 0 393.281 2.807 20 0 GFADRO Cc1nc(C(F)(F)F)sc1C(=O)N1CCC([N@H+]2CCO[C@@H](C)C2)CC1 ZINC000461933982 564809347 /nfs/dbraw/zinc/80/93/47/564809347.db2.gz FYSZDPRWMBWJIL-JTQLQIEISA-N 1 0 377.432 2.796 20 0 GFADRO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)Nc1ncn(Cc2cccc(Br)c2)n1 ZINC000461977626 564809970 /nfs/dbraw/zinc/80/99/70/564809970.db2.gz CEMVDCAYKPGUPG-CHWSQXEVSA-N 1 0 392.301 2.900 20 0 GFADRO COC(=O)c1cc(Br)cc(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000461964675 564810354 /nfs/dbraw/zinc/81/03/54/564810354.db2.gz KRICLIAJDZINSV-CABCVRRESA-N 1 0 381.270 2.592 20 0 GFADRO CC(C)[N@H+](C)C[C@H](C)NC(=O)N(CCO)Cc1cccc(Br)c1 ZINC000462001552 564810805 /nfs/dbraw/zinc/81/08/05/564810805.db2.gz ICRKJHHNBSELHI-AWEZNQCLSA-N 1 0 386.334 2.682 20 0 GFADRO CC[NH+]1CCN(CC(=O)NCC2(c3cccc(Br)c3)CCC2)CC1 ZINC000461989293 564810878 /nfs/dbraw/zinc/81/08/78/564810878.db2.gz UPJJHVXVTFJGNK-UHFFFAOYSA-N 1 0 394.357 2.625 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S(=O)(=O)CC[NH2+][C@H]1C[C@@]1(C)C(C)C ZINC000581662382 564812423 /nfs/dbraw/zinc/81/24/23/564812423.db2.gz HPPUTCIMDNCSLN-ROUUACIJSA-N 1 0 387.567 2.668 20 0 GFADRO Cc1cc(CNC(=O)NCC[N@H+]2CC=CCC2)ccc1I ZINC000462031865 564812597 /nfs/dbraw/zinc/81/25/97/564812597.db2.gz LZNMXSMTDURJJJ-UHFFFAOYSA-N 1 0 399.276 2.661 20 0 GFADRO CCS(=O)(=O)c1ccc(Sc2ccccc2C(=O)N[C@@H](C)C[NH3+])cc1 ZINC000493894560 564813050 /nfs/dbraw/zinc/81/30/50/564813050.db2.gz OYGFXPBRHVVQCC-ZDUSSCGKSA-N 1 0 378.519 2.708 20 0 GFADRO CC(C)[C@H]([NH2+][C@@H]1CCc2sc(Br)cc21)C(=O)N1CCOCC1 ZINC000556104351 564813074 /nfs/dbraw/zinc/81/30/74/564813074.db2.gz TYFCPXARKRVXKL-DOMZBBRYSA-N 1 0 387.343 2.971 20 0 GFADRO CC[NH+](CC)[C@H](C)CNS(=O)(=O)CCc1ccccc1Br ZINC000462074918 564816010 /nfs/dbraw/zinc/81/60/10/564816010.db2.gz DNRKQDRACCLHRB-CYBMUJFWSA-N 1 0 377.348 2.641 20 0 GFADRO Cc1nc2ccc(C[NH2+]C[C@H](O)CS(=O)(=O)c3cccs3)cc2s1 ZINC000494179616 564819071 /nfs/dbraw/zinc/81/90/71/564819071.db2.gz NPQQKAXFEKNEFR-ZDUSSCGKSA-N 1 0 382.532 2.591 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@H](NS(=O)(=O)CCc2ccccc2Br)C1 ZINC000462110073 564820256 /nfs/dbraw/zinc/82/02/56/564820256.db2.gz GQFZBSBTBVHLOR-LSDHHAIUSA-N 1 0 389.359 2.784 20 0 GFADRO O=C(NCC[NH+]1CCCC1)[C@@H](c1ccc(Cl)cc1Cl)N1CCOCC1 ZINC000462126912 564822300 /nfs/dbraw/zinc/82/23/00/564822300.db2.gz POYAORPFPHRWKV-QGZVFWFLSA-N 1 0 386.323 2.579 20 0 GFADRO CC[NH+]1C[C@H](C)N(C(=O)c2ccc(I)c(F)c2)[C@@H](C)C1 ZINC000581967459 564824506 /nfs/dbraw/zinc/82/45/06/564824506.db2.gz RXOLYXAALUWPIQ-QWRGUYRKSA-N 1 0 390.240 2.985 20 0 GFADRO COC(=O)c1cc(Br)cc(C(=O)N[C@H](CC(C)C)C[NH+](C)C)c1 ZINC000462172782 564825568 /nfs/dbraw/zinc/82/55/68/564825568.db2.gz XVRZZVCWLSRACK-OAHLLOKOSA-N 1 0 385.302 2.942 20 0 GFADRO COC(=O)c1cc(Br)cc(C(=O)N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)c1 ZINC000462202755 564827246 /nfs/dbraw/zinc/82/72/46/564827246.db2.gz XGMZHYOOSTVKFA-HZMBPMFUSA-N 1 0 381.270 2.591 20 0 GFADRO C[NH+](C)CC1(NC(=O)[C@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)CCC1 ZINC000582038443 564827671 /nfs/dbraw/zinc/82/76/71/564827671.db2.gz VPDVWUHXVPWFPL-CYBMUJFWSA-N 1 0 384.307 2.947 20 0 GFADRO C[NH+]1CCC(Oc2ccc(CNC(=O)[C@@H]3C[C@]3(C)Br)cc2)CC1 ZINC000529313438 564829525 /nfs/dbraw/zinc/82/95/25/564829525.db2.gz OYROJNZEMZQHFL-WMZOPIPTSA-N 1 0 381.314 2.949 20 0 GFADRO COC(=O)c1cc(Br)cc(C(=O)N(C)[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000462251759 564829480 /nfs/dbraw/zinc/82/94/80/564829480.db2.gz ICPBANFNJILALB-HNNXBMFYSA-N 1 0 381.270 2.544 20 0 GFADRO Cc1cc(Br)c2c(c1)CN(C[C@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)CC2 ZINC000494439868 564830522 /nfs/dbraw/zinc/83/05/22/564830522.db2.gz VYCWWBLMKVNHBG-UXLLHSPISA-N 1 0 397.357 2.586 20 0 GFADRO COc1cc(C(=O)N2CC[N@H+](C)[C@H](C(C)C)C2)cc(Br)c1OC ZINC000556569551 564830793 /nfs/dbraw/zinc/83/07/93/564830793.db2.gz NWJQQJQMKHYRDL-AWEZNQCLSA-N 1 0 385.302 2.879 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)NCc3cc(F)c(Br)cc3F)C[C@H]21 ZINC000529370553 564831976 /nfs/dbraw/zinc/83/19/76/564831976.db2.gz QEZJCUKUNMUOIW-XDMRBOTDSA-N 1 0 388.256 2.996 20 0 GFADRO C[C@@H]1CCN(C(=O)NCc2ccc(Br)c(F)c2F)C[C@H]1C[NH3+] ZINC000529370019 564832029 /nfs/dbraw/zinc/83/20/29/564832029.db2.gz LXOBNLXXEOKAHZ-MWLCHTKSSA-N 1 0 376.245 2.854 20 0 GFADRO CC[C@@H]1CN(CC[NH2+][C@@H](C)CC(=O)Nc2ccc(Br)cc2)CCO1 ZINC000494505040 564832489 /nfs/dbraw/zinc/83/24/89/564832489.db2.gz ODONYXFLALMJMT-WMLDXEAASA-N 1 0 398.345 2.867 20 0 GFADRO C[NH+](C)C1(CNS(=O)(=O)c2ccc(Cl)cc2F)Cc2ccccc2C1 ZINC000462327797 564833376 /nfs/dbraw/zinc/83/33/76/564833376.db2.gz YDIZCOWXONUGJK-UHFFFAOYSA-N 1 0 382.888 2.857 20 0 GFADRO Cc1cc(Br)cc2c1[C@@H]([NH2+]C[C@H]1CCN(S(C)(=O)=O)C1)CC2 ZINC000494605965 564835122 /nfs/dbraw/zinc/83/51/22/564835122.db2.gz VSJIHRMPGAPHRA-DOMZBBRYSA-N 1 0 387.343 2.616 20 0 GFADRO O=C(N[C@@H]1CCC[N@@H+](CCCO)C1)[C@@H]1C[C@H]1c1csc(Br)c1 ZINC000529441335 564836016 /nfs/dbraw/zinc/83/60/16/564836016.db2.gz GBKZDNLXJMJCNK-HZSPNIEDSA-N 1 0 387.343 2.577 20 0 GFADRO Brc1cccc(Cc2noc(CN3CC[C@@]4(CC[NH2+]C4)C3)n2)c1 ZINC000462388226 564836573 /nfs/dbraw/zinc/83/65/73/564836573.db2.gz KBCVMZZTIHHFAS-QGZVFWFLSA-N 1 0 377.286 2.608 20 0 GFADRO O=S(=O)(c1cc(Br)sc1Cl)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000462393312 564837205 /nfs/dbraw/zinc/83/72/05/564837205.db2.gz XKBDHOVNOFTSLX-LLVKDONJSA-N 1 0 385.736 2.538 20 0 GFADRO O=C(NCCc1ccc(F)c(Br)c1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000582290088 564839144 /nfs/dbraw/zinc/83/91/44/564839144.db2.gz HFSRZWLKSRZDHA-QGZVFWFLSA-N 1 0 384.293 2.916 20 0 GFADRO COCCNC(=O)[C@H]1CC[C@H](C)[N@H+](Cc2ccsc2Br)C1 ZINC000529526251 564839424 /nfs/dbraw/zinc/83/94/24/564839424.db2.gz KJPKWOMPVODASM-AAEUAGOBSA-N 1 0 375.332 2.874 20 0 GFADRO COCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](Cc2ccsc2Br)C1 ZINC000529526252 564839484 /nfs/dbraw/zinc/83/94/84/564839484.db2.gz KJPKWOMPVODASM-DGCLKSJQSA-N 1 0 375.332 2.874 20 0 GFADRO CS(=O)(=O)N1CC[C@H]([NH2+][C@@H](c2cccc(OC(F)(F)F)c2)C2CC2)C1 ZINC000582305641 564839590 /nfs/dbraw/zinc/83/95/90/564839590.db2.gz IGMYFIVBRSCZHX-DZGCQCFKSA-N 1 0 378.416 2.660 20 0 GFADRO Cc1nc2sccn2c(=O)c1CC[NH2+][C@H](C)c1ccc([S@](C)=O)cc1 ZINC000556811364 564840776 /nfs/dbraw/zinc/84/07/76/564840776.db2.gz XIVXBWRKIBMXLT-YDBLSZJJSA-N 1 0 375.519 2.695 20 0 GFADRO C[C@@H]1C[N@@H+](Cc2ccc(CNS(=O)(=O)c3ccsc3)cc2)C[C@H](C)O1 ZINC000556809125 564841078 /nfs/dbraw/zinc/84/10/78/564841078.db2.gz KWLZVCFNFIBPBG-GASCZTMLSA-N 1 0 380.535 2.836 20 0 GFADRO CC[C@H](CO)[NH+]1CCN(Cc2c[nH]nc2-c2ccc(Br)s2)CC1 ZINC000529532616 564841097 /nfs/dbraw/zinc/84/10/97/564841097.db2.gz RSAWBOHQZWAVCW-CYBMUJFWSA-N 1 0 399.358 2.789 20 0 GFADRO CC(C)(C)S(=O)(=O)N1CCC([NH2+]Cc2cccc(OC(F)F)c2)CC1 ZINC000494846486 564841492 /nfs/dbraw/zinc/84/14/92/564841492.db2.gz LKXONOARNOVPLC-UHFFFAOYSA-N 1 0 376.469 2.970 20 0 GFADRO CC[NH+]1CCC(CNC(=O)C(=O)Nc2nc(-c3cccs3)cs2)CC1 ZINC000582335313 564841837 /nfs/dbraw/zinc/84/18/37/564841837.db2.gz HVOXQBPNVMJGTB-UHFFFAOYSA-N 1 0 378.523 2.658 20 0 GFADRO C[C@@H](CNC(=O)N[C@H]1CCN(c2cccc(Br)c2)C1)[N@H+](C)C1CC1 ZINC000494878732 564842779 /nfs/dbraw/zinc/84/27/79/564842779.db2.gz MUSYUNYWRPKIHZ-ZFWWWQNUSA-N 1 0 395.345 2.810 20 0 GFADRO CC1(C)NC(=O)CC[C@H]1[NH2+]C[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000494896561 564843933 /nfs/dbraw/zinc/84/39/33/564843933.db2.gz GZXIRLVSISVUHE-XJKSGUPXSA-N 1 0 380.330 2.922 20 0 GFADRO C[C@H]1C[C@H](NS(=O)(=O)c2cc(Br)ccc2Cl)CC[N@@H+]1C ZINC000462499689 564844376 /nfs/dbraw/zinc/84/43/76/564844376.db2.gz JGSBEXNZPKJJTA-GXSJLCMTSA-N 1 0 381.723 2.864 20 0 GFADRO COc1ccc(CN2CCC(C)([NH+]3CCOCC3)CC2)c(Br)c1O ZINC000529665186 564845463 /nfs/dbraw/zinc/84/54/63/564845463.db2.gz TWKQLWJDOZNCOB-UHFFFAOYSA-N 1 0 399.329 2.850 20 0 GFADRO C[C@@H]1C[NH+](CC2CCN(Cc3c(Br)cnn3C)CC2)C[C@@H](C)O1 ZINC000494999685 564845733 /nfs/dbraw/zinc/84/57/33/564845733.db2.gz VGARWHCHBHQHAE-ZIAGYGMSSA-N 1 0 385.350 2.504 20 0 GFADRO O=C(C1CC1)N1CCC([NH2+]Cc2cc(Br)cc3c2OCC3)CC1 ZINC000462544978 564847609 /nfs/dbraw/zinc/84/76/09/564847609.db2.gz DSWORJXJWOEEBV-UHFFFAOYSA-N 1 0 379.298 2.875 20 0 GFADRO O=S(=O)(c1cccc2c(Cl)ccnc21)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000582486956 564848556 /nfs/dbraw/zinc/84/85/56/564848556.db2.gz HIEXXRIBSRKFOL-UONOGXRCSA-N 1 0 379.913 2.898 20 0 GFADRO O=C(NC[C@H]1C[NH2+]CCCO1)Nc1nc2c(cccc2Br)s1 ZINC000557025821 564851874 /nfs/dbraw/zinc/85/18/74/564851874.db2.gz RUBBEOQOSJNSPL-SECBINFHSA-N 1 0 385.287 2.559 20 0 GFADRO O[C@@H](C[NH2+]Cc1cc(Br)cc(Br)c1)[C@H]1CCOC1 ZINC000582627835 564854859 /nfs/dbraw/zinc/85/48/59/564854859.db2.gz GZGDPUWCAVTKAY-GWCFXTLKSA-N 1 0 379.092 2.699 20 0 GFADRO CC1([NH+]2CCOCC2)CCN(C(=O)COc2ccccc2Br)CC1 ZINC000529911677 564856263 /nfs/dbraw/zinc/85/62/63/564856263.db2.gz XLPXLFMZHQOXLT-UHFFFAOYSA-N 1 0 397.313 2.541 20 0 GFADRO CS[C@@H]1CN(C(=O)Cc2cc(Br)ccc2F)C[C@H]1[NH+](C)C ZINC000495725642 564856613 /nfs/dbraw/zinc/85/66/13/564856613.db2.gz BOWMJZOJJONJGP-ZIAGYGMSSA-N 1 0 375.307 2.635 20 0 GFADRO CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000557186036 564857597 /nfs/dbraw/zinc/85/75/97/564857597.db2.gz HJXYTEYUGCOFAR-CRNXPOROSA-N 1 0 396.329 2.776 20 0 GFADRO O=C(CCNC(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1)Nc1cc(Cl)cc(Cl)c1 ZINC000557231460 564858410 /nfs/dbraw/zinc/85/84/10/564858410.db2.gz JKCBUKJLGCTQDS-NEPJUHHUSA-N 1 0 385.295 2.573 20 0 GFADRO O=C(NC[C@@H]1C[NH2+]CCCO1)N(Cc1csc(Br)c1)C1CC1 ZINC000557242028 564859073 /nfs/dbraw/zinc/85/90/73/564859073.db2.gz VYMKCOKTFRGZDU-ZDUSSCGKSA-N 1 0 388.331 2.563 20 0 GFADRO C[NH+](C)C[C@H](NC(=O)[C@@H]1OC[C@H]2COCC[C@H]21)c1ccc(Cl)c(Cl)c1 ZINC000530033909 564860023 /nfs/dbraw/zinc/86/00/23/564860023.db2.gz RVIRNEJSVAWCBY-UTJXIGIESA-N 1 0 387.307 2.764 20 0 GFADRO O=C(Cc1ccccc1I)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000530022796 564860250 /nfs/dbraw/zinc/86/02/50/564860250.db2.gz JXVAXKOVTLKDMS-HNNXBMFYSA-N 1 0 398.288 2.967 20 0 GFADRO C[NH+](C)C[C@H](NC(=O)c1cnc2n[nH]nc2c1)c1ccc(Cl)c(Cl)c1 ZINC000530031321 564860668 /nfs/dbraw/zinc/86/06/68/564860668.db2.gz GCYMTUHDISTHIT-AWEZNQCLSA-N 1 0 379.251 2.692 20 0 GFADRO Cc1cc(CNC(=O)N[C@H](C)CC[NH+](C)C)ccc1I ZINC000497129860 564862528 /nfs/dbraw/zinc/86/25/28/564862528.db2.gz NPUZBYLDRTXSRY-GFCCVEGCSA-N 1 0 389.281 2.739 20 0 GFADRO [NH3+][C@@H]1CCC[C@H](CNC(=O)c2cn(-c3ccc(Br)cc3)cn2)C1 ZINC000582899813 564867362 /nfs/dbraw/zinc/86/73/62/564867362.db2.gz JZBRNDIVDQAHOT-GXTWGEPZSA-N 1 0 377.286 2.882 20 0 GFADRO C[C@H]1C[N@H+](C)C[C@H]1c1nc(-c2n[nH]c(-c3cccc(Br)c3)n2)no1 ZINC000463056731 564868256 /nfs/dbraw/zinc/86/82/56/564868256.db2.gz XDMBUAFGKYJDFC-JOYOIKCWSA-N 1 0 389.257 2.949 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000463063775 564869177 /nfs/dbraw/zinc/86/91/77/564869177.db2.gz WZIRERHPGYHCSE-SFHVURJKSA-N 1 0 389.297 2.769 20 0 GFADRO O=C(Nc1cnn(-c2ncc(Cl)cc2Cl)c1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000582952217 564869202 /nfs/dbraw/zinc/86/92/02/564869202.db2.gz IGIAXGALNMPFHR-YGRLFVJLSA-N 1 0 381.267 2.790 20 0 GFADRO CC(=O)NCCN(CC[N@@H+]1CCCOCC1)Cc1ccc(Cl)cc1Cl ZINC000463192899 564871499 /nfs/dbraw/zinc/87/14/99/564871499.db2.gz MUEJPMGHBYLDLY-UHFFFAOYSA-N 1 0 388.339 2.654 20 0 GFADRO Brc1cnc(CN[C@H]2CC[NH2+]C23CCC3)c(Br)c1 ZINC000530244819 564872796 /nfs/dbraw/zinc/87/27/96/564872796.db2.gz PBZNAUFDBYQQAE-LBPRGKRZSA-N 1 0 375.108 2.981 20 0 GFADRO C[C@@H]1COCCN1C1CCN(S(=O)(=O)c2csc3ccccc32)CC1 ZINC000583034209 564872902 /nfs/dbraw/zinc/87/29/02/564872902.db2.gz GFNFGMPXUCWLQZ-CQSZACIVSA-N 1 0 380.535 2.775 20 0 GFADRO COC(=O)CCN(CC[N@@H+]1CCCOCC1)Cc1cccc(Br)c1 ZINC000463215458 564873001 /nfs/dbraw/zinc/87/30/01/564873001.db2.gz PPGDFGZYLNMWAZ-UHFFFAOYSA-N 1 0 399.329 2.537 20 0 GFADRO Brc1cc2c(cc1CN1CCC(CO[C@@H]3CC[NH2+]C3)CC1)OCO2 ZINC000530244240 564873309 /nfs/dbraw/zinc/87/33/09/564873309.db2.gz ZUBJOPZWUNMYIU-OAHLLOKOSA-N 1 0 397.313 2.768 20 0 GFADRO OC[C@H](C[NH2+]C1CCN(CC(F)F)CC1)Cc1cccc(Br)c1 ZINC000463238027 564873479 /nfs/dbraw/zinc/87/34/79/564873479.db2.gz SYDKHWATUXJHKO-AWEZNQCLSA-N 1 0 391.300 2.919 20 0 GFADRO CC(=O)N1CC[C@@H]([NH2+]Cc2cc(Br)cc(Br)c2N)C1 ZINC000463234207 564873525 /nfs/dbraw/zinc/87/35/25/564873525.db2.gz IQTRINVLQJHKHS-LLVKDONJSA-N 1 0 391.107 2.504 20 0 GFADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)NCc3cc(Br)cc4c3OCC4)[C@@H]2C1 ZINC000463266897 564874678 /nfs/dbraw/zinc/87/46/78/564874678.db2.gz OOZAZARJZIUIKJ-MLGOLLRUSA-N 1 0 394.313 2.620 20 0 GFADRO O=C1NC(=O)C2(CCC([NH2+]C3(c4cccc(Br)c4)CCC3)CC2)N1 ZINC000557761898 564875254 /nfs/dbraw/zinc/87/52/54/564875254.db2.gz IUKSSCACFMACDQ-UHFFFAOYSA-N 1 0 392.297 2.939 20 0 GFADRO O[C@@H](C[NH2+]Cc1cc(Br)c2c(c1)OCCO2)Cc1ccccc1 ZINC000557783502 564875791 /nfs/dbraw/zinc/87/57/91/564875791.db2.gz VWUCDWJFSYMTLU-OAHLLOKOSA-N 1 0 378.266 2.914 20 0 GFADRO Cn1c(=O)cc(C[NH+]2CCC(c3cccc(Cl)c3Cl)CC2)n(C)c1=O ZINC000463357534 564876381 /nfs/dbraw/zinc/87/63/81/564876381.db2.gz IPHHFWZVKGIEIQ-UHFFFAOYSA-N 1 0 382.291 2.770 20 0 GFADRO CC(C)N1CC[C@@H]([NH2+][C@H](C)c2ccc(Br)cc2OCCCO)C1=O ZINC000463361394 564877207 /nfs/dbraw/zinc/87/72/07/564877207.db2.gz NOWFZCXVQQYZAW-CZUORRHYSA-N 1 0 399.329 2.870 20 0 GFADRO C[C@@H]([NH2+][C@@H](C)C(=O)NC1CC1)c1ccc(Br)cc1OCCCO ZINC000463366160 564877237 /nfs/dbraw/zinc/87/72/37/564877237.db2.gz IVTHAFKOAHIMIR-NEPJUHHUSA-N 1 0 385.302 2.528 20 0 GFADRO CC[NH+](CC)CC[C@@H](CO)NC(=O)Nc1ccc(F)c(Br)c1 ZINC000497840220 564877346 /nfs/dbraw/zinc/87/73/46/564877346.db2.gz ZEKMZWBXDJHAGY-LBPRGKRZSA-N 1 0 376.270 2.803 20 0 GFADRO C[C@H]([NH2+][C@@H](C)c1ccc(Br)cc1OCCCO)C(=O)NC1CC1 ZINC000463366162 564877732 /nfs/dbraw/zinc/87/77/32/564877732.db2.gz IVTHAFKOAHIMIR-RYUDHWBXSA-N 1 0 385.302 2.528 20 0 GFADRO CCn1c(CNC(=O)NC[C@H]2CCC[N@@H+]2C)nc2cc(Br)ccc21 ZINC000583178692 564879288 /nfs/dbraw/zinc/87/92/88/564879288.db2.gz CGDNHWOAVKCOTD-CYBMUJFWSA-N 1 0 394.317 2.712 20 0 GFADRO CC[C@@H](C)Sc1ccc(NC(=O)C(=O)NC2C[NH2+]C2)c(C(F)(F)F)c1 ZINC000583191587 564880290 /nfs/dbraw/zinc/88/02/90/564880290.db2.gz FEBFITWMYJMTKW-SECBINFHSA-N 1 0 375.416 2.623 20 0 GFADRO C[N@@H+]1CCCC(C)(C)[C@H]1CNS(=O)(=O)Cc1ccccc1Br ZINC000557846838 564881623 /nfs/dbraw/zinc/88/16/23/564881623.db2.gz SDRRBLOIDSPGEX-OAHLLOKOSA-N 1 0 389.359 2.989 20 0 GFADRO C[C@@H](NC(=O)c1ccnc(C[NH3+])c1)c1cc2c(cc1Br)OCCO2 ZINC000463470443 564882202 /nfs/dbraw/zinc/88/22/02/564882202.db2.gz QCZUWIXQMRKBHF-SNVBAGLBSA-N 1 0 392.253 2.565 20 0 GFADRO C[C@@H]([NH2+][C@H]1CCn2ccnc2C1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000530465510 564882959 /nfs/dbraw/zinc/88/29/59/564882959.db2.gz UTWXWAXGRGDLCP-ZJUUUORDSA-N 1 0 389.308 2.503 20 0 GFADRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1S(=O)(=O)c1ccc(Br)s1 ZINC000557853664 564882969 /nfs/dbraw/zinc/88/29/69/564882969.db2.gz FASCQYUQXVDJBD-MNOVXSKESA-N 1 0 379.345 2.758 20 0 GFADRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1S(=O)(=O)c1ccc(OC(F)F)c(F)c1 ZINC000557855061 564883002 /nfs/dbraw/zinc/88/30/02/564883002.db2.gz NRMQMSFSBXHCPL-BXUZGUMPSA-N 1 0 378.416 2.674 20 0 GFADRO COC(=O)[C@@H]1CC[N@@H+]([C@@H]2CCCN(c3ccc(Br)c(C)c3)C2=O)C1 ZINC000463504948 564883154 /nfs/dbraw/zinc/88/31/54/564883154.db2.gz YTNULADFSWSNNQ-CZUORRHYSA-N 1 0 395.297 2.748 20 0 GFADRO [NH3+][C@@H]1CCC[C@H](C(=O)NCc2noc(-c3cccc(Br)c3)n2)C1 ZINC000583261729 564883725 /nfs/dbraw/zinc/88/37/25/564883725.db2.gz DIEFGBIPESFSDG-GXFFZTMASA-N 1 0 379.258 2.633 20 0 GFADRO C[C@H](OC[C@@H](O)C[NH2+]C1CCC(S(C)(=O)=O)CC1)c1ccc(Cl)cc1 ZINC000583317333 564886376 /nfs/dbraw/zinc/88/63/76/564886376.db2.gz DPZCIZADRFFBGW-LZEOREFUSA-N 1 0 389.945 2.724 20 0 GFADRO O=C(Nc1ccc(Br)cc1O)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000530572979 564888525 /nfs/dbraw/zinc/88/85/25/564888525.db2.gz BAKISFNQBZAMCD-GOSISDBHSA-N 1 0 391.265 2.730 20 0 GFADRO CCN(CC)S(=O)(=O)c1cc(NC(=O)N[C@@H](C)C[C@H](C)[NH3+])ccc1Cl ZINC000583381529 564889567 /nfs/dbraw/zinc/88/95/67/564889567.db2.gz OMEAZJHHQCDXEN-RYUDHWBXSA-N 1 0 390.937 2.618 20 0 GFADRO O=C(NCCC1=CC[NH2+]CC1)N[C@H]1COc2cc(F)c(Br)cc21 ZINC000583489653 564894040 /nfs/dbraw/zinc/89/40/40/564894040.db2.gz VEGTUFGTWWSHSP-AWEZNQCLSA-N 1 0 384.249 2.631 20 0 GFADRO CN(C[C@@H]1CCC[N@@H+]1C)S(=O)(=O)c1cc(Br)cc2cccnc21 ZINC000583493013 564894251 /nfs/dbraw/zinc/89/42/51/564894251.db2.gz NCSPRDHHWGNBHJ-AWEZNQCLSA-N 1 0 398.326 2.712 20 0 GFADRO Brc1cncc(Br)c1C[NH2+][C@@H]1CCc2c[nH]nc2C1 ZINC000583596461 564898862 /nfs/dbraw/zinc/89/88/62/564898862.db2.gz MRMZUBQHJARWDH-SECBINFHSA-N 1 0 386.091 2.977 20 0 GFADRO CSc1ccc(S(=O)(=O)NC[C@]2([NH+](C)C)CCSC2)cc1Cl ZINC000464213381 564899403 /nfs/dbraw/zinc/89/94/03/564899403.db2.gz XTUGZBYRZUZXER-CQSZACIVSA-N 1 0 380.988 2.778 20 0 GFADRO O=S(=O)(c1ccc(OC(F)F)c(Cl)c1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000583693201 564903377 /nfs/dbraw/zinc/90/33/77/564903377.db2.gz FAUNOWUTRXASBB-OAHLLOKOSA-N 1 0 380.844 2.706 20 0 GFADRO CN(C)c1cc(Cl)cc(Cl)c1CNCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000558490850 564904319 /nfs/dbraw/zinc/90/43/19/564904319.db2.gz JNCYABJKZHKWRP-CYBMUJFWSA-N 1 0 387.355 2.736 20 0 GFADRO COC1CC[NH+](C(C)(C)CNS(=O)(=O)c2c(F)cccc2Cl)CC1 ZINC000464404598 564905758 /nfs/dbraw/zinc/90/57/58/564905758.db2.gz QJOGSUYMGRLTOK-UHFFFAOYSA-N 1 0 378.897 2.647 20 0 GFADRO C[C@@H]1CC[N@H+](C)CCN1C(=O)c1ccn(-c2cccc(Br)c2)n1 ZINC000498711516 564906188 /nfs/dbraw/zinc/90/61/88/564906188.db2.gz UUDFRRIAQPRDSZ-CYBMUJFWSA-N 1 0 377.286 2.801 20 0 GFADRO CO[C@H](C[NH2+]CCS(=O)(=O)c1cccc(Br)c1)CC(C)C ZINC000583748362 564906296 /nfs/dbraw/zinc/90/62/96/564906296.db2.gz ZNSWDJVNLSWJMT-AWEZNQCLSA-N 1 0 378.332 2.874 20 0 GFADRO O=C(NCc1n[nH]cc1Br)NC1CC[NH+](C2CCCCC2)CC1 ZINC000531341164 564907608 /nfs/dbraw/zinc/90/76/08/564907608.db2.gz LIEORVJZHFLWIJ-UHFFFAOYSA-N 1 0 384.322 2.769 20 0 GFADRO CC1(C)[C@H]([NH2+]Cc2nnnn2-c2ccccc2Br)[C@H]2CCCO[C@@H]21 ZINC000583793818 564907772 /nfs/dbraw/zinc/90/77/72/564907772.db2.gz VZLWOTGVNNLJNV-LYRGGWFBSA-N 1 0 392.301 2.718 20 0 GFADRO Cc1nc2ccc(C[NH+]3CCC(S(=O)(=O)N4CCCC4)CC3)cc2s1 ZINC000558636284 564910040 /nfs/dbraw/zinc/91/00/40/564910040.db2.gz COOKHSNXYURMDQ-UHFFFAOYSA-N 1 0 379.551 2.995 20 0 GFADRO C[C@H]1CC[N@H+](C)CCN1C(=O)Nc1ccc(S(C)(=O)=O)c(C(F)F)c1 ZINC000498888791 564912254 /nfs/dbraw/zinc/91/22/54/564912254.db2.gz DMSCTXXHTSPSFO-NSHDSACASA-N 1 0 375.441 2.586 20 0 GFADRO C[C@H]([NH2+]CCc1nnnn1-c1ccccc1)c1ncc(Br)s1 ZINC000558698247 564912476 /nfs/dbraw/zinc/91/24/76/564912476.db2.gz ZVCVPYQPYBEVMU-JTQLQIEISA-N 1 0 379.287 2.775 20 0 GFADRO C[C@H](C1CC[NH+](C)CC1)N(C)S(=O)(=O)c1ccccc1Br ZINC000498896977 564912753 /nfs/dbraw/zinc/91/27/53/564912753.db2.gz PLODQXVFNLZEGY-GFCCVEGCSA-N 1 0 375.332 2.800 20 0 GFADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@H](c1ccccc1F)[C@H](C)O ZINC000583999027 564915712 /nfs/dbraw/zinc/91/57/12/564915712.db2.gz SLXBUNVCOWACBO-PEBVRCNWSA-N 1 0 383.261 2.850 20 0 GFADRO O=C(NCC1([NH+]2CCSCC2)CCCCC1)N1CC[C@H](OC(F)F)C1 ZINC000558890939 564917885 /nfs/dbraw/zinc/91/78/85/564917885.db2.gz BFGMORNEOFIAKD-AWEZNQCLSA-N 1 0 377.501 2.761 20 0 GFADRO CC[N@@H+]1C[C@H](C)N(C(=O)Cc2cc3c(cc2Br)OCCO3)C[C@H]1C ZINC000499109857 564918568 /nfs/dbraw/zinc/91/85/68/564918568.db2.gz IXLAJJHUPAWNAW-OLZOCXBDSA-N 1 0 397.313 2.704 20 0 GFADRO O=C(NC[C@@H]1C[NH2+]CCO1)NCC1(c2ccc(Br)cc2)CCCC1 ZINC000584102637 564920729 /nfs/dbraw/zinc/92/07/29/564920729.db2.gz ZMRVSQJSBYKEPF-INIZCTEOSA-N 1 0 396.329 2.549 20 0 GFADRO [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)N[C@H]1COc2cc(F)c(Br)cc21 ZINC000584102811 564920861 /nfs/dbraw/zinc/92/08/61/564920861.db2.gz QSMIYLJDVRIOII-UPUHMZSCSA-N 1 0 398.276 2.837 20 0 GFADRO CC[C@H](C(=O)N1CCN([C@H](C)c2ccc(Br)cc2)CC1)[NH+](C)C ZINC000531957904 564924573 /nfs/dbraw/zinc/92/45/73/564924573.db2.gz LDPQIILKSWZKMH-RHSMWYFYSA-N 1 0 382.346 2.995 20 0 GFADRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)N[C@H](C)c2ncc(Br)cn2)C1 ZINC000584209616 564925077 /nfs/dbraw/zinc/92/50/77/564925077.db2.gz GYVAMAUFCZVOQJ-CHWSQXEVSA-N 1 0 384.322 2.720 20 0 GFADRO C[C@@](CO)([NH2+]C[C@@H](O)Cc1ccc(F)cc1)c1ccc(Br)cc1 ZINC000559242957 564927763 /nfs/dbraw/zinc/92/77/63/564927763.db2.gz FXQGMEURJVUXHR-ROUUACIJSA-N 1 0 382.273 2.989 20 0 GFADRO Cn1ncc2ccc(C[NH2+]C[C@@H](O)COc3ccc(Br)cc3)cc21 ZINC000584287691 564928628 /nfs/dbraw/zinc/92/86/28/564928628.db2.gz YDCBXCBYNDRNPX-MRXNPFEDSA-N 1 0 390.281 2.865 20 0 GFADRO COc1ccc(Br)cc1C1(C(=O)NCC[N@@H+]2CC[C@H](C)C2)CC1 ZINC000584280478 564928933 /nfs/dbraw/zinc/92/89/33/564928933.db2.gz JLEZNFWPHUKMGI-ZDUSSCGKSA-N 1 0 381.314 2.947 20 0 GFADRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1cc(=O)c2cc(Br)ccc2[nH]1 ZINC000532333984 564934708 /nfs/dbraw/zinc/93/47/08/564934708.db2.gz NFWGSTHGFAHZGO-QLJPJBMISA-N 1 0 390.281 2.503 20 0 GFADRO C[C@H](CNC(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1)Oc1cccc(Br)c1 ZINC000466050535 564935388 /nfs/dbraw/zinc/93/53/88/564935388.db2.gz OAJNOKLXEMUTEB-NFAWXSAZSA-N 1 0 384.318 2.998 20 0 GFADRO COCCN(CC[NH+](C)C)C(=O)N[C@@H]1COc2c1ccc(Cl)c2Cl ZINC000466202005 564936246 /nfs/dbraw/zinc/93/62/46/564936246.db2.gz KPGZUHCPWGTNBW-CYBMUJFWSA-N 1 0 376.284 2.647 20 0 GFADRO CN(C)c1ncc(Br)cc1C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000499817598 564937248 /nfs/dbraw/zinc/93/72/48/564937248.db2.gz XYPMNRZEFSJOJC-ZDUSSCGKSA-N 1 0 381.318 2.657 20 0 GFADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)NCc3cccc(Cl)c3Cl)CC[C@@H]21 ZINC000559632875 564937670 /nfs/dbraw/zinc/93/76/70/564937670.db2.gz TWLLEQIAHDDJFY-HIFRSBDPSA-N 1 0 384.307 2.552 20 0 GFADRO O=S(=O)(NCCC[NH2+]Cc1cccc2c[nH]nc21)c1ccccc1Cl ZINC000466380266 564939808 /nfs/dbraw/zinc/93/98/08/564939808.db2.gz AOYOEASAUDNMGB-UHFFFAOYSA-N 1 0 378.885 2.675 20 0 GFADRO CC(C)Cn1cc(C[NH2+]CCCNS(=O)(=O)c2ccccc2Cl)cn1 ZINC000466389272 564940000 /nfs/dbraw/zinc/94/00/00/564940000.db2.gz OQDDAKPIRMCBBS-UHFFFAOYSA-N 1 0 384.933 2.651 20 0 GFADRO C[N@@H+]1CC[C@@](O)(CN[C@@H](c2ccc(Br)o2)c2ccc(F)cc2)C1 ZINC000559843257 564941469 /nfs/dbraw/zinc/94/14/69/564941469.db2.gz SLLYBPNSTKKRKJ-IAGOWNOFSA-N 1 0 383.261 2.927 20 0 GFADRO C[C@H](CNC(=O)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C)Oc1cccc(Br)c1 ZINC000466543056 564942732 /nfs/dbraw/zinc/94/27/32/564942732.db2.gz DGFGKQTZJPSMQN-XNJGSVPQSA-N 1 0 396.329 2.998 20 0 GFADRO C[C@@H](CNC(=O)c1cccc(F)c1I)C[NH+]1CCCC1 ZINC000532755916 564944414 /nfs/dbraw/zinc/94/44/14/564944414.db2.gz HIOYRYOOMSVOKO-NSHDSACASA-N 1 0 390.240 2.892 20 0 GFADRO C[N@@H+]1CC[C@@H]2CCN(S(=O)(=O)c3cccc(Br)c3Cl)[C@H]2C1 ZINC000560034053 564945515 /nfs/dbraw/zinc/94/55/15/564945515.db2.gz HBNZORIHEYIYOR-PWSUYJOCSA-N 1 0 393.734 2.817 20 0 GFADRO CC(C)C[C@H](NC(=O)Nc1cc(Cl)c(Cl)cn1)C(=O)NCC[NH+](C)C ZINC000466713472 564945963 /nfs/dbraw/zinc/94/59/63/564945963.db2.gz OBNAZUVXMCYYIS-ZDUSSCGKSA-N 1 0 390.315 2.602 20 0 GFADRO O=C1CC[C@H]([NH2+]CC[S@@](=O)c2cc(Cl)ccc2Cl)[C@H](C2CC2)N1 ZINC000560183922 564952278 /nfs/dbraw/zinc/95/22/78/564952278.db2.gz LEXYZTZSLRZCDI-AXBCGAQBSA-N 1 0 375.321 2.748 20 0 GFADRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1csc(I)c1 ZINC000467031536 564953236 /nfs/dbraw/zinc/95/32/36/564953236.db2.gz FDRJWGOEIMPTFM-GZMMTYOYSA-N 1 0 376.263 2.565 20 0 GFADRO C[C@H](CNC(=O)c1cccc(F)c1I)[NH+]1CCCC1 ZINC000533085714 564953340 /nfs/dbraw/zinc/95/33/40/564953340.db2.gz CGJSJEBTAVCQRN-SNVBAGLBSA-N 1 0 376.213 2.644 20 0 GFADRO O=C(NCC[NH+]1CCC1)NCC1(c2ccc(Br)cc2)CCOCC1 ZINC000533112571 564955510 /nfs/dbraw/zinc/95/55/10/564955510.db2.gz XORYGXWKYJRXGL-UHFFFAOYSA-N 1 0 396.329 2.502 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)N[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000467092504 564955819 /nfs/dbraw/zinc/95/58/19/564955819.db2.gz NWEYXRFXQVFHRI-DOMZBBRYSA-N 1 0 394.313 2.603 20 0 GFADRO O=C(CC[N@@H+]1CC[C@@H](CN2CCOCC2)C1)Nc1c(Cl)cccc1Cl ZINC000533291653 564960427 /nfs/dbraw/zinc/96/04/27/564960427.db2.gz TYHSCFLUEXXKNR-CQSZACIVSA-N 1 0 386.323 2.976 20 0 GFADRO C[C@@H](Cc1cccc(C(F)(F)F)c1)[NH2+]CCS(=O)(=O)NCC1CCC1 ZINC000467369269 564961808 /nfs/dbraw/zinc/96/18/08/564961808.db2.gz KGFZKUIQAVBNFH-ZDUSSCGKSA-N 1 0 378.460 2.946 20 0 GFADRO Cc1cc(S(=O)(=O)NCC[NH2+][C@@H](c2cncc(F)c2)C2CC2)c(C)s1 ZINC000467373824 564961921 /nfs/dbraw/zinc/96/19/21/564961921.db2.gz QFYJLLUOYYHOCU-QGZVFWFLSA-N 1 0 383.514 2.918 20 0 GFADRO O=c1cc(CN2CCC[C@@H]2C[NH+]2CCCC2)nc2ccc(Br)cn12 ZINC000533401606 564962161 /nfs/dbraw/zinc/96/21/61/564962161.db2.gz VZXNYSTUDPGTAZ-MRXNPFEDSA-N 1 0 391.313 2.517 20 0 GFADRO COc1ccc(Br)cc1C(=O)N1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000533478475 564963026 /nfs/dbraw/zinc/96/30/26/564963026.db2.gz YPDVEVFCFLBVER-JLJPHGGASA-N 1 0 397.313 2.781 20 0 GFADRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)c2cccnc2-n2cc(Br)cn2)C1 ZINC000560479085 564964734 /nfs/dbraw/zinc/96/47/34/564964734.db2.gz BFCCOBPMSFZJCO-AWEZNQCLSA-N 1 0 392.301 2.585 20 0 GFADRO COc1ccc([C@H](C[NH+](C)C)NC(=O)NCCSCC(F)(F)F)cc1 ZINC000500900884 564965208 /nfs/dbraw/zinc/96/52/08/564965208.db2.gz PNLXLXKEGMFJQF-AWEZNQCLSA-N 1 0 379.448 2.893 20 0 GFADRO O[C@@H](C[NH2+]C[C@@H]1CC=CCC1)COc1ccc(I)cc1 ZINC000533565076 564966931 /nfs/dbraw/zinc/96/69/31/564966931.db2.gz RENKZCYBCHEFAT-HIFRSBDPSA-N 1 0 387.261 2.977 20 0 GFADRO CCOc1c(Cl)cc(NC(=O)C(=O)NCC2=CC[N@H+](C)CC2)cc1Cl ZINC000467585655 564967356 /nfs/dbraw/zinc/96/73/56/564967356.db2.gz BEQJDGSLZSDADH-UHFFFAOYSA-N 1 0 386.279 2.709 20 0 GFADRO CC[C@H]([NH2+]CC1(O)CCS(=O)(=O)CC1)c1ccc(OC(F)(F)F)cc1 ZINC000560540290 564967367 /nfs/dbraw/zinc/96/73/67/564967367.db2.gz OLGDFVSKSAPAKC-AWEZNQCLSA-N 1 0 381.416 2.566 20 0 GFADRO C[C@H]([NH2+]C[C@H]1CCCCN1S(C)(=O)=O)c1cc(Br)cs1 ZINC000560580814 564969137 /nfs/dbraw/zinc/96/91/37/564969137.db2.gz NYHONXGOHCAAPC-CMPLNLGQSA-N 1 0 381.361 2.975 20 0 GFADRO Cc1nc(C(=O)Nc2c[nH+]ccc2N2CCN(C)CC2)c(Br)s1 ZINC000560637450 564970611 /nfs/dbraw/zinc/97/06/11/564970611.db2.gz WBCNHUSZGDREAZ-UHFFFAOYSA-N 1 0 396.314 2.613 20 0 GFADRO C[C@@H]([NH2+]C1CCN(S(=O)(=O)C2CC2)CC1)c1nc(C(F)(F)F)cs1 ZINC000467740991 564971030 /nfs/dbraw/zinc/97/10/30/564971030.db2.gz IKRYKDSUPBQKOZ-SECBINFHSA-N 1 0 383.461 2.769 20 0 GFADRO CC[NH+](CC)CCN(Cc1ccccc1)c1cnn(C)c(=O)c1Br ZINC000533788521 564972746 /nfs/dbraw/zinc/97/27/46/564972746.db2.gz PKAUUADBIJDNPV-UHFFFAOYSA-N 1 0 393.329 2.891 20 0 GFADRO C[N@H+](CC1CC1)C[C@H]1CCN(S(=O)(=O)c2ccc(Br)s2)C1 ZINC000467786180 564972803 /nfs/dbraw/zinc/97/28/03/564972803.db2.gz HYDNAGJQGMCASH-GFCCVEGCSA-N 1 0 393.372 2.863 20 0 GFADRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)CNC(=O)c1cccc(Br)c1 ZINC000501260045 564975156 /nfs/dbraw/zinc/97/51/56/564975156.db2.gz IVQQQAUODHRMFK-INIZCTEOSA-N 1 0 396.329 2.560 20 0 GFADRO CC(C)[NH+]1CCC(C(=O)NCc2cn3cc(Br)ccc3n2)CC1 ZINC000467984712 564976720 /nfs/dbraw/zinc/97/67/20/564976720.db2.gz QBURTAOCYLMCSK-UHFFFAOYSA-N 1 0 379.302 2.833 20 0 GFADRO C[C@H]1CCCC[N@@H+]1CCC(=O)NCC(=O)Nc1ccc(Br)cc1 ZINC000561047798 564982679 /nfs/dbraw/zinc/98/26/79/564982679.db2.gz OAAFNHGHIOXHPV-ZDUSSCGKSA-N 1 0 382.302 2.768 20 0 GFADRO C[C@@H]1CCC[N@H+](CCNC(=O)N2CCN(Cc3ccc(Cl)s3)CC2)C1 ZINC000501597037 564983676 /nfs/dbraw/zinc/98/36/76/564983676.db2.gz YVNOEMGAYRPVSF-OAHLLOKOSA-N 1 0 384.977 2.961 20 0 GFADRO C[C@@H](C(=O)N1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1)[NH+]1CC(C)C1 ZINC000561134708 564985057 /nfs/dbraw/zinc/98/50/57/564985057.db2.gz BKWMOSTWYSOUGX-ZDUSSCGKSA-N 1 0 384.307 2.618 20 0 GFADRO CC[N@@H+]1CCN(C(=O)[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)[C@H](C)C1 ZINC000561157014 564986157 /nfs/dbraw/zinc/98/61/57/564986157.db2.gz GVHGZQCMNIOOLQ-OCCSQVGLSA-N 1 0 384.307 2.899 20 0 GFADRO C[NH+]1CCC([C@@H]2CCN(S(=O)(=O)c3ccc(Br)s3)C2)CC1 ZINC000534405106 564987663 /nfs/dbraw/zinc/98/76/63/564987663.db2.gz OPVTWUUPRCGIJR-GFCCVEGCSA-N 1 0 393.372 2.863 20 0 GFADRO C[NH+]1CCC([C@H]2CCN(S(=O)(=O)c3ccc(Br)cc3)C2)CC1 ZINC000534406948 564987763 /nfs/dbraw/zinc/98/77/63/564987763.db2.gz SEJJTDXTLAPESB-AWEZNQCLSA-N 1 0 387.343 2.802 20 0 GFADRO Cn1cc(NC(=O)c2ccc(CC[NH+](C)C)cc2)cc(Br)c1=O ZINC000561291835 564990190 /nfs/dbraw/zinc/99/01/90/564990190.db2.gz GXHYVBMECDYELO-UHFFFAOYSA-N 1 0 378.270 2.504 20 0 GFADRO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N[C@@H](C)Cc1ccc(Cl)cc1Cl ZINC000561329159 564991741 /nfs/dbraw/zinc/99/17/41/564991741.db2.gz YPVVMMRVLMDWLP-QWHCGFSZSA-N 1 0 388.339 2.887 20 0 GFADRO C[C@@H](C[NH+](C)C)NC(=O)NCc1cc(Br)ccc1Br ZINC000502136155 564992668 /nfs/dbraw/zinc/99/26/68/564992668.db2.gz GQEMGMOBGXVQOA-VIFPVBQESA-N 1 0 393.123 2.961 20 0 GFADRO C[N@H+](CCCNC(=O)NCCn1cc(Br)cn1)C1CCCCC1 ZINC000561422990 564994577 /nfs/dbraw/zinc/99/45/77/564994577.db2.gz TZKPHCZMDYBLRF-UHFFFAOYSA-N 1 0 386.338 2.599 20 0 GFADRO COC(=O)c1cc(C[NH2+]CC(=O)Nc2ccc(Br)cc2C)c[nH]1 ZINC000561438117 564994587 /nfs/dbraw/zinc/99/45/87/564994587.db2.gz OYSQGOYQQWGRPA-UHFFFAOYSA-N 1 0 380.242 2.601 20 0 GFADRO CC[NH+](CC)CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)CCNC(N)=O ZINC000502421244 564998033 /nfs/dbraw/zinc/99/80/33/564998033.db2.gz QJKLKBVQLMTLKD-UHFFFAOYSA-N 1 0 389.327 2.722 20 0 GFADRO Cc1c(Cl)cc(F)c(NC(=O)C(=O)NC[C@@H](CC(C)C)[NH+](C)C)c1F ZINC000534892562 564998913 /nfs/dbraw/zinc/99/89/13/564998913.db2.gz PUODXGDHFOUROT-LLVKDONJSA-N 1 0 375.847 2.958 20 0 GFADRO CCC[N@H+](CC)CCNC(=O)C(=O)N[C@H]1CCSc2ccc(Cl)cc21 ZINC000561645073 565005164 /nfs/dbraw/zinc/00/51/64/565005164.db2.gz QQAMBPHGUYDILJ-HNNXBMFYSA-N 1 0 383.945 2.841 20 0 GFADRO COc1cc(Br)ccc1C(=O)N(C)CCN1CCOC(C)(C)C1 ZINC000469127190 565006025 /nfs/dbraw/zinc/00/60/25/565006025.db2.gz IXJLRMZRTABUCO-UHFFFAOYSA-N 1 0 385.302 2.641 20 0 GFADRO CCc1n[nH]c(C(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)c1Br ZINC000469233997 565010257 /nfs/dbraw/zinc/01/02/57/565010257.db2.gz JDTAXGITSNHZPJ-DOMZBBRYSA-N 1 0 391.313 2.985 20 0 GFADRO CC[NH+](CC)[C@@H](CNS(=O)(=O)c1csc(C(=O)OC)c1)CC(C)C ZINC000469252943 565011146 /nfs/dbraw/zinc/01/11/46/565011146.db2.gz XDLNMDLMZMUHEG-CYBMUJFWSA-N 1 0 376.544 2.570 20 0 GFADRO O=C(NCC(F)(F)F)C1CC[NH+](C[C@H](O)Cc2cccc(Cl)c2)CC1 ZINC000561843613 565011394 /nfs/dbraw/zinc/01/13/94/565011394.db2.gz UDICCSJBPYCMJP-OAHLLOKOSA-N 1 0 378.822 2.634 20 0 GFADRO CS[C@@H]1CN(S(=O)(=O)Cc2ccccc2C(F)(F)F)C[C@H]1[NH+](C)C ZINC000503231625 565015540 /nfs/dbraw/zinc/01/55/40/565015540.db2.gz LCQAPCSVOIWQMH-ZIAGYGMSSA-N 1 0 382.473 2.513 20 0 GFADRO C[NH+](C)CCCNC(=O)c1cccn1-c1cccc(I)c1 ZINC000503236507 565015636 /nfs/dbraw/zinc/01/56/36/565015636.db2.gz MPCHIFHPUZGNPL-UHFFFAOYSA-N 1 0 397.260 2.763 20 0 GFADRO C[NH+](C)CCOC1CCN(C(=O)c2cc(Br)c(F)cc2F)CC1 ZINC000469410603 565016337 /nfs/dbraw/zinc/01/63/37/565016337.db2.gz UJVQRQAZGSSLTL-UHFFFAOYSA-N 1 0 391.256 2.910 20 0 GFADRO Cc1ncc(C[N@@H+]2CCC[C@@H](C(=O)Nc3ccc(Br)cn3)C2)cn1 ZINC000535795562 565021225 /nfs/dbraw/zinc/02/12/25/565021225.db2.gz BBAROENIQKRQIJ-CQSZACIVSA-N 1 0 390.285 2.793 20 0 GFADRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)C1(c2ccc(I)cc2)CC1 ZINC000503516740 565021915 /nfs/dbraw/zinc/02/19/15/565021915.db2.gz BQYAGUGJQHZYHW-CHWSQXEVSA-N 1 0 398.288 2.874 20 0 GFADRO CCNC(=O)NC(=O)[C@@H](C)[N@H+](C)C[C@H](C)Oc1ccc(Cl)c(Cl)c1 ZINC000469746870 565026241 /nfs/dbraw/zinc/02/62/41/565026241.db2.gz ZRRARUBDFLQLEC-WDEREUQCSA-N 1 0 376.284 2.927 20 0 GFADRO CCNC(=O)NC(=O)[C@H](C)[N@H+](C)C[C@H](C)Oc1ccc(Cl)c(Cl)c1 ZINC000469746869 565026422 /nfs/dbraw/zinc/02/64/22/565026422.db2.gz ZRRARUBDFLQLEC-QWRGUYRKSA-N 1 0 376.284 2.927 20 0 GFADRO C[C@@H](C[N@H+](C)CCCS(=O)(=O)N(C)C)Oc1ccc(Cl)c(Cl)c1 ZINC000469753997 565026577 /nfs/dbraw/zinc/02/65/77/565026577.db2.gz ULFAVBQCRVFHRQ-LBPRGKRZSA-N 1 0 383.341 2.974 20 0 GFADRO CC[C@H](C[N@H+](C)CCC(=O)NC(=O)NC)Oc1ccc(Cl)c(Cl)c1 ZINC000469746890 565026587 /nfs/dbraw/zinc/02/65/87/565026587.db2.gz ZXJJGYXTNVDORH-LLVKDONJSA-N 1 0 376.284 2.928 20 0 GFADRO Cc1cc(S(=O)(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)sc1C ZINC000503733650 565026929 /nfs/dbraw/zinc/02/69/29/565026929.db2.gz XAZRSXXCJJZKFV-UHFFFAOYSA-N 1 0 386.583 2.878 20 0 GFADRO COC(=O)[C@H](c1ccc(Cl)cc1Cl)N1CCC[N@@H+]([C@@H](C)CO)CC1 ZINC000469828571 565028711 /nfs/dbraw/zinc/02/87/11/565028711.db2.gz VBOLACPBQVYUGO-LRDDRELGSA-N 1 0 375.296 2.596 20 0 GFADRO OCCOC1(C[NH2+][C@@H]2CCCc3cc(Br)ccc32)CCOCC1 ZINC000503919253 565031073 /nfs/dbraw/zinc/03/10/73/565031073.db2.gz GACPCBKZVQQONM-QGZVFWFLSA-N 1 0 384.314 2.974 20 0 GFADRO O=C(CCc1cc(Br)ccc1F)NCC[NH+]1CCSCC1 ZINC000536184832 565032245 /nfs/dbraw/zinc/03/22/45/565032245.db2.gz GCKIBEVTBJRBLL-UHFFFAOYSA-N 1 0 375.307 2.686 20 0 GFADRO Cn1cc(Br)cc1C(=O)N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000469945847 565032594 /nfs/dbraw/zinc/03/25/94/565032594.db2.gz XJFAQGUGBVDUAD-HNNXBMFYSA-N 1 0 384.318 2.505 20 0 GFADRO Cc1cnc(CC[NH2+][C@@H]2CCS(=O)(=O)c3ccc(Br)cc32)cn1 ZINC000562567563 565033443 /nfs/dbraw/zinc/03/34/43/565033443.db2.gz FWMLRRSTDSNQQN-OAHLLOKOSA-N 1 0 396.310 2.598 20 0 GFADRO COC(=O)c1cccc(NC(=O)C[NH2+][C@H](C)c2ccc(Br)s2)n1 ZINC000469986965 565033712 /nfs/dbraw/zinc/03/37/12/565033712.db2.gz IKPXJJGBMVYSBP-SECBINFHSA-N 1 0 398.282 2.982 20 0 GFADRO O=C([C@@H]1CCCN(Cc2csc(-c3cccs3)n2)C1)N1CC[NH2+]CC1 ZINC000470004357 565034602 /nfs/dbraw/zinc/03/46/02/565034602.db2.gz XOTBESMMAOQYSD-CQSZACIVSA-N 1 0 376.551 2.515 20 0 GFADRO CS[C@H]1CN(C(=O)c2cnc(Cc3ccc(F)cc3)s2)C[C@H]1[NH+](C)C ZINC000536336775 565035170 /nfs/dbraw/zinc/03/51/70/565035170.db2.gz NZJHQYTZFHXLAZ-ZBFHGGJFSA-N 1 0 379.526 2.991 20 0 GFADRO C[C@@H](C[NH+](C)C)NC(=O)NCc1ccc(I)cc1Cl ZINC000504129946 565035688 /nfs/dbraw/zinc/03/56/88/565035688.db2.gz XLLPGUQICPSOSH-VIFPVBQESA-N 1 0 395.672 2.694 20 0 GFADRO C[C@H](CO)[N@@H+]1CCCN(C(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)CC1 ZINC000470063712 565036532 /nfs/dbraw/zinc/03/65/32/565036532.db2.gz AAJLUVHPSRQNPT-OLZOCXBDSA-N 1 0 375.296 2.676 20 0 GFADRO C[C@H]1C[N@H+](CCCNC(=O)COc2cc(Cl)cc(Cl)c2)CCCO1 ZINC000470066930 565037143 /nfs/dbraw/zinc/03/71/43/565037143.db2.gz PVQNUGSEYKILDJ-ZDUSSCGKSA-N 1 0 375.296 2.989 20 0 GFADRO C[C@H](CO)[N@@H+]1CCCN(C(=O)CSc2cccc(C(F)(F)F)c2)CC1 ZINC000470084314 565037872 /nfs/dbraw/zinc/03/78/72/565037872.db2.gz YZAPYRCGBQXUSF-CYBMUJFWSA-N 1 0 376.444 2.713 20 0 GFADRO O=C(CC[N@@H+]1C[C@H](O)C[C@@H]1[C@@H]1CCCOC1)Nc1ccccc1Br ZINC000562707137 565039209 /nfs/dbraw/zinc/03/92/09/565039209.db2.gz IKHWIIXWQHCRBL-CKEIUWERSA-N 1 0 397.313 2.640 20 0 GFADRO CN(C)c1ncc(Br)cc1C(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000470164618 565039710 /nfs/dbraw/zinc/03/97/10/565039710.db2.gz VXVKJFGXHNYLPA-CQSZACIVSA-N 1 0 381.318 2.657 20 0 GFADRO O=S1(=O)CC[C@H]([NH2+][C@@H]2CCC[C@@H](CO)C2)c2cc(Br)ccc21 ZINC000562736015 565040843 /nfs/dbraw/zinc/04/08/43/565040843.db2.gz ICQIXBWNVCXCNJ-KYOSRNDESA-N 1 0 388.327 2.808 20 0 GFADRO C[C@H](Cc1ccc(Br)cc1)[NH2+][C@H]1CCC[C@H]1CNS(C)(=O)=O ZINC000504560586 565041141 /nfs/dbraw/zinc/04/11/41/565041141.db2.gz ICNNZCMGCRWYCP-INWMFGNUSA-N 1 0 389.359 2.688 20 0 GFADRO CCOC(=O)c1c(NC(=O)NCC2CC[NH2+]CC2)sc2c1CCSC2 ZINC000562758762 565041482 /nfs/dbraw/zinc/04/14/82/565041482.db2.gz YEEOHCBEYOWUQR-UHFFFAOYSA-N 1 0 383.539 2.835 20 0 GFADRO C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)Nc1ccc(Br)c(C2CC2)n1 ZINC000562763675 565042423 /nfs/dbraw/zinc/04/24/23/565042423.db2.gz MPUBTDSZMYHHQC-JOYOIKCWSA-N 1 0 383.290 2.956 20 0 GFADRO CC(C)(C)NS(=O)(=O)CC[NH2+][C@H](Cc1ccccc1Cl)[C@@H]1CCCO1 ZINC000562779084 565042673 /nfs/dbraw/zinc/04/26/73/565042673.db2.gz WQKDIXNWDKARNF-SJORKVTESA-N 1 0 388.961 2.738 20 0 GFADRO CC(C)[C@@H](Oc1ccccc1Br)C(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000470434187 565046221 /nfs/dbraw/zinc/04/62/21/565046221.db2.gz HQEWUQAGCWVAJE-JKIFEVAISA-N 1 0 381.314 2.873 20 0 GFADRO C[N@H+]1C[C@H]2CN(C(=O)c3c(Cl)cccc3I)C[C@H]2C1 ZINC000470437948 565046515 /nfs/dbraw/zinc/04/65/15/565046515.db2.gz KBQLHICOIJURJG-AOOOYVTPSA-N 1 0 390.652 2.578 20 0 GFADRO COC(=O)c1cc(C[NH2+][C@H]2CCN(c3ccc(Br)cc3)C2)cn1C ZINC000562901652 565047258 /nfs/dbraw/zinc/04/72/58/565047258.db2.gz SZLOGTLKPORCEQ-HNNXBMFYSA-N 1 0 392.297 2.943 20 0 GFADRO CS[C@H]1CN(C(=O)CSCC(=O)c2ccc(Cl)cc2)C[C@H]1[NH+](C)C ZINC000536813240 565047619 /nfs/dbraw/zinc/04/76/19/565047619.db2.gz BDTMTFPXWBTRBN-ZBFHGGJFSA-N 1 0 386.970 2.760 20 0 GFADRO C[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(Br)c2ccccc12 ZINC000536963110 565050697 /nfs/dbraw/zinc/05/06/97/565050697.db2.gz PUSDIWXCCAKGOO-LBPRGKRZSA-N 1 0 390.281 2.751 20 0 GFADRO O=C(COc1ccc(F)cc1Br)NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000562979935 565050822 /nfs/dbraw/zinc/05/08/22/565050822.db2.gz WREZRCPPGOKEDL-INIZCTEOSA-N 1 0 393.256 2.970 20 0 GFADRO CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)N1CCC[N@H+](C)CC1 ZINC000537008964 565051006 /nfs/dbraw/zinc/05/10/06/565051006.db2.gz XQACQSXUPZCXPZ-BBRMVZONSA-N 1 0 384.318 2.872 20 0 GFADRO CC(C)NC(=O)NCC[NH2+][C@@H](C)c1cc2c(cc1Br)OCCO2 ZINC000563061364 565054065 /nfs/dbraw/zinc/05/40/65/565054065.db2.gz GSADRWRCJMBIEB-NSHDSACASA-N 1 0 386.290 2.579 20 0 GFADRO CC[NH2+]CCCNC(=O)[C@@H](C)SCc1nc2sc(C)c(C)c2c(=O)[nH]1 ZINC000563106154 565056060 /nfs/dbraw/zinc/05/60/60/565056060.db2.gz YPCBXKRODCZHKS-GFCCVEGCSA-N 1 0 382.555 2.751 20 0 GFADRO O=S(=O)(c1ccc(Br)c(Cl)c1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000563138108 565057028 /nfs/dbraw/zinc/05/70/28/565057028.db2.gz KECDZDCOYCZDJY-AWEZNQCLSA-N 1 0 393.734 2.867 20 0 GFADRO Brc1cccc(-c2c[nH]c(C[NH2+]CCN3CCSCC3)n2)c1 ZINC000537508705 565058944 /nfs/dbraw/zinc/05/89/44/565058944.db2.gz YOKWZHKQTOHNCQ-UHFFFAOYSA-N 1 0 381.343 2.978 20 0 GFADRO C[C@H]([NH3+])C[C@H](C)NC(=O)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000584349072 565076794 /nfs/dbraw/zinc/07/67/94/565076794.db2.gz BAFAQLNMVLUYLT-RYUDHWBXSA-N 1 0 387.311 2.587 20 0 GFADRO O=S(=O)(N[C@H]1CC[N@@H+](C2CCCCC2)C1)c1ncccc1C(F)(F)F ZINC000657162442 565080917 /nfs/dbraw/zinc/08/09/17/565080917.db2.gz VLZQUICLXVRDRS-LBPRGKRZSA-N 1 0 377.432 2.786 20 0 GFADRO O=C(Nc1cccc(I)c1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000584457429 565081831 /nfs/dbraw/zinc/08/18/31/565081831.db2.gz ZUIMIKGTWGKLML-HNNXBMFYSA-N 1 0 385.249 2.899 20 0 GFADRO Cc1c2cc(C(=O)NCC[N@@H+]3CCCOCC3)[nH]c2ccc1Br ZINC000613797119 565082014 /nfs/dbraw/zinc/08/20/14/565082014.db2.gz GYPMWVOLUHADAC-UHFFFAOYSA-N 1 0 380.286 2.691 20 0 GFADRO C[C@@H](CC[NH+](C)C)NS(=O)(=O)Cc1cc(Cl)ccc1Br ZINC000584587878 565089526 /nfs/dbraw/zinc/08/95/26/565089526.db2.gz IDVPRKBEHVAXBW-JTQLQIEISA-N 1 0 383.739 2.862 20 0 GFADRO C[NH+](C)C[C@@]1(O)CCCN(C(=O)c2ccc(Cl)c(Br)c2)C1 ZINC000614067159 565094330 /nfs/dbraw/zinc/09/43/30/565094330.db2.gz OZTXGGSSGKXFAM-HNNXBMFYSA-N 1 0 375.694 2.631 20 0 GFADRO C[N@H+](CC(=O)NCCCc1nc(-c2ccccn2)cs1)[C@H]1CCSC1 ZINC000636167060 565094320 /nfs/dbraw/zinc/09/43/20/565094320.db2.gz IIXKQQTUVVLIBP-AWEZNQCLSA-N 1 0 376.551 2.691 20 0 GFADRO C[NH+](C)C[C@@]1(O)CCCN(C(=O)COc2c(Cl)cc(Cl)cc2Cl)C1 ZINC000614070217 565094409 /nfs/dbraw/zinc/09/44/09/565094409.db2.gz JDTJUHNFYXMWRP-INIZCTEOSA-N 1 0 395.714 2.941 20 0 GFADRO C[N@H+]1C[C@H]2CN(C(=O)c3cc(-c4ccc(Br)cc4)no3)C[C@H]2C1 ZINC000614124352 565096822 /nfs/dbraw/zinc/09/68/22/565096822.db2.gz LSDBPHSMFBDVIC-BETUJISGSA-N 1 0 376.254 2.738 20 0 GFADRO CN(CC[NH2+]Cc1cccc(F)c1OC(F)F)S(=O)(=O)c1cccs1 ZINC000657410861 565099471 /nfs/dbraw/zinc/09/94/71/565099471.db2.gz IRHJFMPTBWYTKF-UHFFFAOYSA-N 1 0 394.440 2.899 20 0 GFADRO Cc1ccc(C[C@@H](CO)C[NH2+]Cc2cnn3c2CCC3)cc1Br ZINC000657484262 565103042 /nfs/dbraw/zinc/10/30/42/565103042.db2.gz RQCXFWTVCDFRPF-OAHLLOKOSA-N 1 0 378.314 2.841 20 0 GFADRO Cc1c(F)c(Br)ccc1NC(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000657527606 565105860 /nfs/dbraw/zinc/10/58/60/565105860.db2.gz VEJPOWFFILTEOZ-RYUDHWBXSA-N 1 0 398.276 2.578 20 0 GFADRO C[C@H](CNC(=O)c1sccc1C[NH+](C)C)c1ccc(S(C)(=O)=O)cc1 ZINC000636338646 565108330 /nfs/dbraw/zinc/10/83/30/565108330.db2.gz ZURDTMHVYUSAJH-CYBMUJFWSA-N 1 0 380.535 2.747 20 0 GFADRO CC[NH+](CC)CCS(=O)(=O)N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1 ZINC000685597591 565114073 /nfs/dbraw/zinc/11/40/73/565114073.db2.gz COXWLFKYMCLOTC-AWEZNQCLSA-N 1 0 394.368 2.833 20 0 GFADRO C[C@H](COc1c(F)cccc1F)[NH2+]Cc1ccc(S(N)(=O)=O)c(Cl)c1 ZINC000657628622 565114271 /nfs/dbraw/zinc/11/42/71/565114271.db2.gz PKECXZGOWSJVED-SNVBAGLBSA-N 1 0 390.839 2.823 20 0 GFADRO CC(=O)N(C)C1CC[NH+](C[C@H](O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000586767867 565115011 /nfs/dbraw/zinc/11/50/11/565115011.db2.gz URLCHHLUDVWXLJ-AWEZNQCLSA-N 1 0 375.296 2.676 20 0 GFADRO C[C@H]1CC[C@H]([NH2+]C2CCN(Cc3c(F)cccc3Cl)CC2)CS1(=O)=O ZINC000657638970 565115445 /nfs/dbraw/zinc/11/54/45/565115445.db2.gz NZLAFZKYNQBEIJ-ZFWWWQNUSA-N 1 0 388.936 2.999 20 0 GFADRO C[N@H+](CCOc1ccc(Br)cc1)Cc1ccc(S(N)(=O)=O)cc1 ZINC000685610403 565115643 /nfs/dbraw/zinc/11/56/43/565115643.db2.gz DMTHAXPAQMNXRW-UHFFFAOYSA-N 1 0 399.310 2.607 20 0 GFADRO COc1cc(CC[NH2+]Cc2ncc(I)s2)ccc1O ZINC000586777732 565116008 /nfs/dbraw/zinc/11/60/08/565116008.db2.gz XEDGXQGIJDXDJZ-UHFFFAOYSA-N 1 0 390.246 2.794 20 0 GFADRO O=c1ccccn1CC[NH2+]C1(c2ccc(Br)cc2)CCOCC1 ZINC000586829558 565118853 /nfs/dbraw/zinc/11/88/53/565118853.db2.gz PLTYYOGBHCYNCV-UHFFFAOYSA-N 1 0 377.282 2.906 20 0 GFADRO Cc1c(F)c(Br)ccc1NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000657692549 565120846 /nfs/dbraw/zinc/12/08/46/565120846.db2.gz XZQSSVSGOODBPD-NEPJUHHUSA-N 1 0 398.276 2.530 20 0 GFADRO CC[C@H](Cc1ccc(Br)cc1)[NH2+][C@@H]1CCN(c2cnn(C)c2)C1=O ZINC000657917605 565137184 /nfs/dbraw/zinc/13/71/84/565137184.db2.gz BUOZALGIIORBDE-NVXWUHKLSA-N 1 0 391.313 2.899 20 0 GFADRO CCOc1cc(C[NH2+][C@H]2CC(=O)N(C)C2)cc(Br)c1OC(F)F ZINC000588689636 565138560 /nfs/dbraw/zinc/13/85/60/565138560.db2.gz YVFLPJUBUXHVLU-JTQLQIEISA-N 1 0 393.228 2.770 20 0 GFADRO COC[C@](C)(O)CCNC(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000637181631 565143277 /nfs/dbraw/zinc/14/32/77/565143277.db2.gz IFXVFWYWLJNNJH-NVXWUHKLSA-N 1 0 392.327 2.683 20 0 GFADRO CN(CC(=O)Nc1ccccc1Br)C(=O)C[N@H+](C)CC(C)(C)C ZINC000588902689 565144011 /nfs/dbraw/zinc/14/40/11/565144011.db2.gz VGIGQEQDAWWZQP-UHFFFAOYSA-N 1 0 384.318 2.824 20 0 GFADRO COC1CC(CC[NH2+][C@@H](C)c2ccc(Br)c(S(N)(=O)=O)c2)C1 ZINC000658059032 565149368 /nfs/dbraw/zinc/14/93/68/565149368.db2.gz FKTNADVFDAHUTI-ZBOXLXRLSA-N 1 0 391.331 2.562 20 0 GFADRO O=C(NCC[NH2+][C@H]1CCc2cccnc2CC1)c1ccc(Br)cn1 ZINC000658096598 565150748 /nfs/dbraw/zinc/15/07/48/565150748.db2.gz RPDLQCIFHBRMAD-HNNXBMFYSA-N 1 0 389.297 2.506 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2cccc(Br)c2)C1 ZINC000658118482 565150907 /nfs/dbraw/zinc/15/09/07/565150907.db2.gz CXAWLIISWJUAEE-LBPRGKRZSA-N 1 0 382.302 2.624 20 0 GFADRO OCCO[C@@]1(C[NH2+][C@@H]2CCCOc3c(Cl)c(Cl)ccc32)CCOC1 ZINC000658147732 565153296 /nfs/dbraw/zinc/15/32/96/565153296.db2.gz FPGGMNTWPWTSFL-RHSMWYFYSA-N 1 0 376.280 2.965 20 0 GFADRO C[C@@H]1[C@H](C)N(C(=O)c2ccc3cncc(Br)c3n2)[C@@H](C)C[N@@H+]1C ZINC000637380094 565153443 /nfs/dbraw/zinc/15/34/43/565153443.db2.gz PQHXXCJXUZYVOH-TUAOUCFPSA-N 1 0 377.286 2.945 20 0 GFADRO Ic1cnc(CN2CC[NH+](C3CCCC3)CC2)s1 ZINC000589158010 565153830 /nfs/dbraw/zinc/15/38/30/565153830.db2.gz UNEKSYRHZQTPLF-UHFFFAOYSA-N 1 0 377.295 2.808 20 0 GFADRO Cc1c(Br)ccc(C(=O)N2CCOC[C@@H]2[C@@H]2CCC[N@H+]2C)c1F ZINC000615270211 565154108 /nfs/dbraw/zinc/15/41/08/565154108.db2.gz PMMHLSIJROECIX-LSDHHAIUSA-N 1 0 385.277 2.832 20 0 GFADRO C[C@H]([NH2+][C@H]1C[C@@H](O)C12CCC2)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000658252308 565155564 /nfs/dbraw/zinc/15/55/64/565155564.db2.gz QBVFKNQQJDGWAN-ULCPSODYSA-N 1 0 379.309 2.595 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccc(F)c(Br)c2)C1 ZINC000658260280 565157030 /nfs/dbraw/zinc/15/70/30/565157030.db2.gz AAXURQVOPFRJEX-LLVKDONJSA-N 1 0 386.265 2.516 20 0 GFADRO CCCN1CC[C@@H]([NH2+][C@H]2CCS(=O)(=O)c3ccc(Br)cc32)C1 ZINC000658286191 565159371 /nfs/dbraw/zinc/15/93/71/565159371.db2.gz PYELOEBAUKUFDX-HIFRSBDPSA-N 1 0 387.343 2.742 20 0 GFADRO O=C(NCc1csc(C(F)(F)F)c1)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000637524160 565160515 /nfs/dbraw/zinc/16/05/15/565160515.db2.gz LTBHTHKTGGSEPT-QWHCGFSZSA-N 1 0 377.432 2.508 20 0 GFADRO Cn1cc(Br)c(C(=O)N2CCC3(CCC([NH+](C)C)CC3)CC2)n1 ZINC000615447866 565161304 /nfs/dbraw/zinc/16/13/04/565161304.db2.gz MPNMJLXPFPUZAY-UHFFFAOYSA-N 1 0 383.334 2.909 20 0 GFADRO NC(=O)Cc1ccc(C[NH2+]Cc2cccc(I)c2)cc1 ZINC000589320672 565161383 /nfs/dbraw/zinc/16/13/83/565161383.db2.gz BKJIJFQGZMHRLF-UHFFFAOYSA-N 1 0 380.229 2.609 20 0 GFADRO C[C@H]1CN(C(=O)c2nn(C(C)(C)C)cc2Br)CC[N@@H+](C2CC2)C1 ZINC000615451559 565161593 /nfs/dbraw/zinc/16/15/93/565161593.db2.gz QLVRBINDLKTJFA-GFCCVEGCSA-N 1 0 383.334 2.957 20 0 GFADRO [NH3+]C[C@H](NS(=O)(=O)c1cc(Cl)c(Cl)cc1Br)C1CC1 ZINC000658371411 565162723 /nfs/dbraw/zinc/16/27/23/565162723.db2.gz XZESRDSBHAZVBR-JTQLQIEISA-N 1 0 388.114 2.772 20 0 GFADRO CC[C@H]1CN(S(=O)(=O)c2cc(Cl)cc(Br)c2)CC[C@@H]1[NH3+] ZINC000658376568 565163892 /nfs/dbraw/zinc/16/38/92/565163892.db2.gz UUQZXRJTLWYYKF-ZANVPECISA-N 1 0 381.723 2.850 20 0 GFADRO C[NH+](C)CC1CN(C(=O)CCOc2ccc(Cl)cc2Br)C1 ZINC000615513465 565164371 /nfs/dbraw/zinc/16/43/71/565164371.db2.gz SVJQZJZZFNFNGO-UHFFFAOYSA-N 1 0 375.694 2.891 20 0 GFADRO CSc1ccccc1S(=O)(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1 ZINC000658391761 565167091 /nfs/dbraw/zinc/16/70/91/565167091.db2.gz BEJUHFNYVCJLPU-HZPDHXFCSA-N 1 0 380.510 2.972 20 0 GFADRO [NH3+]C1(CNS(=O)(=O)Cc2ccc(Br)cc2Cl)CCCC1 ZINC000658390603 565167132 /nfs/dbraw/zinc/16/71/32/565167132.db2.gz NBNTULYCFDMGHT-UHFFFAOYSA-N 1 0 381.723 2.793 20 0 GFADRO C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1cn3ccc(Br)cc3n1)C2 ZINC000615600240 565167429 /nfs/dbraw/zinc/16/74/29/565167429.db2.gz ASJCRHDHTWHGCE-QGZVFWFLSA-N 1 0 377.286 2.655 20 0 GFADRO C[NH+](C)C[C@@H]1CCN(C(=O)N[C@@H]2[C@H]3Cc4cc(Br)ccc4[C@@H]23)C1 ZINC000637651182 565167462 /nfs/dbraw/zinc/16/74/62/565167462.db2.gz UUUIIFOOZNVOHJ-IAOMBJDPSA-N 1 0 378.314 2.680 20 0 GFADRO C[C@H](CCNC(=O)C(=O)Nc1ccc(OC(F)(F)F)c(Cl)c1)[NH+](C)C ZINC000658428535 565169170 /nfs/dbraw/zinc/16/91/70/565169170.db2.gz MMZNAWHLCIUKPZ-SECBINFHSA-N 1 0 381.782 2.634 20 0 GFADRO COc1ccc(Br)cc1CC(=O)N1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000615616397 565169394 /nfs/dbraw/zinc/16/93/94/565169394.db2.gz IPNFCAZJZSABDE-GOSISDBHSA-N 1 0 381.314 2.945 20 0 GFADRO CCc1ccc(-c2csc(NC(=O)C(=O)NCC[C@@H](C)[NH+](C)C)n2)s1 ZINC000658429398 565169637 /nfs/dbraw/zinc/16/96/37/565169637.db2.gz RPGPBZAHRYWQGU-LLVKDONJSA-N 1 0 380.539 2.829 20 0 GFADRO CCN(C(=O)C(=O)Nc1cc(C)ccc1Br)[C@H]1CC[N@H+](CC)C1 ZINC000658469294 565171092 /nfs/dbraw/zinc/17/10/92/565171092.db2.gz YXGQDQLUHXBAMH-ZDUSSCGKSA-N 1 0 382.302 2.639 20 0 GFADRO CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)CCC1C[NH2+]C1 ZINC000637881373 565175810 /nfs/dbraw/zinc/17/58/10/565175810.db2.gz HPRFGRDGNZPWLA-UHFFFAOYSA-N 1 0 377.794 2.755 20 0 GFADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(Cl)ccc1Br ZINC000590116904 565178454 /nfs/dbraw/zinc/17/84/54/565178454.db2.gz DCNMEMDKRHGUSU-LBPRGKRZSA-N 1 0 375.694 2.943 20 0 GFADRO COc1cccc([C@H]([NH3+])C(=O)N2CCC(n3cc(Br)cn3)CC2)c1 ZINC000637990072 565180541 /nfs/dbraw/zinc/18/05/41/565180541.db2.gz FEFCJDLDPTZVQA-INIZCTEOSA-N 1 0 393.285 2.518 20 0 GFADRO C[C@@]1(C(=O)N2CCC(OCc3ccc(Cl)c(Cl)c3)CC2)C[NH2+]CCO1 ZINC000638031491 565181565 /nfs/dbraw/zinc/18/15/65/565181565.db2.gz OUDLNMXIRAPFLM-SFHVURJKSA-N 1 0 387.307 2.880 20 0 GFADRO O=C(N[C@H]1CCC[NH2+]C1)N1CCc2[nH]c3ccc(Br)cc3c2C1 ZINC000638006798 565182341 /nfs/dbraw/zinc/18/23/41/565182341.db2.gz JPAFLUAVNHCCAU-LBPRGKRZSA-N 1 0 377.286 2.750 20 0 GFADRO Cc1[nH][nH]c(=NC(=O)[C@@H]2C[N@@H+](C(C)(C)C)C[C@H]2C(F)(F)F)c1Br ZINC000616001352 565183551 /nfs/dbraw/zinc/18/35/51/565183551.db2.gz AODUMDFEMGXGMB-RKDXNWHRSA-N 1 0 397.239 2.750 20 0 GFADRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)CCc2ccc(Cl)c(Cl)c2)C1 ZINC000590316537 565184215 /nfs/dbraw/zinc/18/42/15/565184215.db2.gz ZXSMLFVZGDDMOF-CQSZACIVSA-N 1 0 386.323 2.630 20 0 GFADRO COc1cc(CN2CCC([N@H+](C)CCCO)CC2)c(F)cc1Br ZINC000638085461 565185139 /nfs/dbraw/zinc/18/51/39/565185139.db2.gz ZYRATQJVVDZFGX-UHFFFAOYSA-N 1 0 389.309 2.875 20 0 GFADRO O=C(c1cc(Br)cc2nc[nH]c21)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000638143514 565186562 /nfs/dbraw/zinc/18/65/62/565186562.db2.gz SFDDOWINSCWYHT-AWEZNQCLSA-N 1 0 377.286 2.930 20 0 GFADRO O=C(c1cc2cc(Br)ccc2s1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000638231056 565189011 /nfs/dbraw/zinc/18/90/11/565189011.db2.gz ZCSQNEYSWPGCOC-CQSZACIVSA-N 1 0 394.338 2.784 20 0 GFADRO C[N@@H+](Cc1ccccc1)C[C@@H](N)C(=O)NCc1ccsc1Br ZINC000638282697 565189912 /nfs/dbraw/zinc/18/99/12/565189912.db2.gz UQUADYLNRVWXBU-CQSZACIVSA-N 1 0 382.327 2.586 20 0 GFADRO Cc1cc(Br)c(F)c(C(=O)N2C[C@@H](C[NH3+])C3(C2)CCOCC3)c1 ZINC000638260896 565190178 /nfs/dbraw/zinc/19/01/78/565190178.db2.gz CHVARSAGZFJRFN-GFCCVEGCSA-N 1 0 385.277 2.724 20 0 GFADRO CO[C@H]1C[NH2+][C@@](C)(C(=O)N2CCC(c3ccccc3Br)CC2)C1 ZINC000638304935 565191119 /nfs/dbraw/zinc/19/11/19/565191119.db2.gz NGOGMADJZZWRRY-RDTXWAMCSA-N 1 0 381.314 2.922 20 0 GFADRO CO[C@H](C[NH2+]C[C@@H]1CCN(c2cccc(Br)c2)C1)[C@H]1CCOC1 ZINC000638417315 565195261 /nfs/dbraw/zinc/19/52/61/565195261.db2.gz CHPNMXIKIUVYSF-RLFYNMQTSA-N 1 0 383.330 2.917 20 0 GFADRO C[C@@H](Cc1cccc(Br)c1)[NH2+]Cc1ccc(S(N)(=O)=O)s1 ZINC000638417421 565195548 /nfs/dbraw/zinc/19/55/48/565195548.db2.gz GHHKQIRVVIZXEK-JTQLQIEISA-N 1 0 389.340 2.879 20 0 GFADRO COc1ncc(C(=O)N2CC[C@H](c3ccccc3)[C@H]([NH3+])C2)cc1Br ZINC000658965519 565196324 /nfs/dbraw/zinc/19/63/24/565196324.db2.gz BQBYGLNWDAUBSX-GDBMZVCRSA-N 1 0 390.281 2.810 20 0 GFADRO [NH3+][C@@H]1CN(C(=O)c2ccc(Br)cn2)CC[C@@H]1c1cccc(F)c1 ZINC000658947085 565196457 /nfs/dbraw/zinc/19/64/57/565196457.db2.gz JYYSVHQOKIOUIL-HUUCEWRRSA-N 1 0 378.245 2.940 20 0 GFADRO O=C(C[C@H]1C[NH2+]CCO1)N1CC[C@@H](Sc2ccc(Br)cc2)C1 ZINC000638473307 565197742 /nfs/dbraw/zinc/19/77/42/565197742.db2.gz JYIQXNAATGHITP-DZGCQCFKSA-N 1 0 385.327 2.521 20 0 GFADRO C[C@H](C[C@@H]1CCCC(=O)N1)[NH2+]CCCNC(=O)c1cccc(Br)c1 ZINC000638476869 565198154 /nfs/dbraw/zinc/19/81/54/565198154.db2.gz POITYSGSVLBOHD-CJNGLKHVSA-N 1 0 396.329 2.606 20 0 GFADRO CN(CC(C)(C)[NH3+])C(=O)Nc1cc(Br)cnc1OCC(F)(F)F ZINC000658994973 565198308 /nfs/dbraw/zinc/19/83/08/565198308.db2.gz YKTDHTBRTAVBFJ-UHFFFAOYSA-N 1 0 399.211 2.986 20 0 GFADRO O=C(Nc1ccncc1Br)N[C@H]1C[NH2+]CC[C@H]1c1cccc(F)c1 ZINC000659005411 565198373 /nfs/dbraw/zinc/19/83/73/565198373.db2.gz LAZPQTYRFQXBPL-BBRMVZONSA-N 1 0 393.260 2.672 20 0 GFADRO O=C(N[C@H]1CC[NH2+]C12CCC2)c1ccc(-n2cc(Br)cn2)cc1 ZINC000638501384 565199014 /nfs/dbraw/zinc/19/90/14/565199014.db2.gz UPPRWXUDHHVIBO-HNNXBMFYSA-N 1 0 375.270 2.649 20 0 GFADRO O=C(N[C@@H]1CC[NH2+]C12CCC2)c1cc(=O)[nH]c2c(Br)cccc12 ZINC000638506640 565199053 /nfs/dbraw/zinc/19/90/53/565199053.db2.gz WTUPNRNGOCDKSZ-CYBMUJFWSA-N 1 0 376.254 2.717 20 0 GFADRO CN1CC[C@H]([NH2+]CCCn2cncn2)C[C@H]1c1ccc(Br)cc1 ZINC000638530402 565200304 /nfs/dbraw/zinc/20/03/04/565200304.db2.gz UEKWXUCNNLGBTL-IRXDYDNUSA-N 1 0 378.318 2.856 20 0 GFADRO CCC([NH3+])(CC)CNC(=O)C(=O)Nc1cc(Cl)c(Br)cc1C ZINC000659076328 565200690 /nfs/dbraw/zinc/20/06/90/565200690.db2.gz CENFOOLVNCDNKC-UHFFFAOYSA-N 1 0 390.709 2.983 20 0 GFADRO C[C@H](CC(=O)N1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1)n1cc(Br)cn1 ZINC000638556714 565201284 /nfs/dbraw/zinc/20/12/84/565201284.db2.gz DXOONGQXDLNLRU-FOGDFJRCSA-N 1 0 397.239 2.582 20 0 GFADRO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)Nc1ccc(Cl)cc1Br ZINC000659106742 565201309 /nfs/dbraw/zinc/20/13/09/565201309.db2.gz DUSDLOPGSJRATL-LLVKDONJSA-N 1 0 376.682 2.531 20 0 GFADRO Cc1cc(Br)c(Cl)cc1NC(=O)C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000659087435 565201559 /nfs/dbraw/zinc/20/15/59/565201559.db2.gz RPVMMBPYQJDPTC-NXEZZACHSA-N 1 0 388.693 2.593 20 0 GFADRO Cc1[nH]c(=O)c(C(=O)N2CCCc3cccc(C[NH3+])c32)cc1Br ZINC000638544735 565201953 /nfs/dbraw/zinc/20/19/53/565201953.db2.gz XLOWRWSPDALQGN-UHFFFAOYSA-N 1 0 376.254 2.910 20 0 GFADRO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)Nc1cc(Cl)cc(Br)c1 ZINC000659108885 565202470 /nfs/dbraw/zinc/20/24/70/565202470.db2.gz RDDGIGFPABKQQM-GFCCVEGCSA-N 1 0 376.682 2.531 20 0 GFADRO [NH3+]C[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCCSc2ccc(Br)cc21 ZINC000638586214 565202673 /nfs/dbraw/zinc/20/26/73/565202673.db2.gz POUBSXYFXYGRAH-UBHSHLNASA-N 1 0 385.327 2.856 20 0 GFADRO [NH3+]C1CCC(OCC(=O)NCc2ccc(Br)c(F)c2F)CC1 ZINC000638599054 565203751 /nfs/dbraw/zinc/20/37/51/565203751.db2.gz FQAYMJUUYFJOAY-UHFFFAOYSA-N 1 0 377.229 2.630 20 0 GFADRO CO[C@@H](C[NH2+]CCC(=O)Nc1cc(Br)ccc1C)[C@H]1CCOC1 ZINC000638597790 565204050 /nfs/dbraw/zinc/20/40/50/565204050.db2.gz KBGUGZFVDIGEPM-BBRMVZONSA-N 1 0 385.302 2.727 20 0 GFADRO CS(=O)(=O)[C@H]1CCC[C@@H]([NH2+]Cc2c(C(F)(F)F)nc3n2CCCC3)C1 ZINC000638659227 565205092 /nfs/dbraw/zinc/20/50/92/565205092.db2.gz AERWOCYXRJCZFI-NEPJUHHUSA-N 1 0 379.448 2.684 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000638648144 565205104 /nfs/dbraw/zinc/20/51/04/565205104.db2.gz KRGRAWKQEHWSST-KFWWJZLASA-N 1 0 384.567 2.608 20 0 GFADRO C[C@@H](c1ccccc1)[NH+]1CCC(NCc2ccc(S(N)(=O)=O)s2)CC1 ZINC000638611531 565205699 /nfs/dbraw/zinc/20/56/99/565205699.db2.gz HJUGBYHDNPFLRO-AWEZNQCLSA-N 1 0 379.551 2.711 20 0 GFADRO [NH3+]CCCOCCNC(=O)c1cc(COc2c(Cl)cccc2Cl)on1 ZINC000638660109 565205945 /nfs/dbraw/zinc/20/59/45/565205945.db2.gz QAYBBJIIIZLWFJ-UHFFFAOYSA-N 1 0 388.251 2.656 20 0 GFADRO C[C@H]1CC[C@H](NC(=O)C2(c3ccc(Br)cc3)CCOCC2)C[NH2+]1 ZINC000638647704 565206042 /nfs/dbraw/zinc/20/60/42/565206042.db2.gz INARZHYSNZYDPH-BBRMVZONSA-N 1 0 381.314 2.754 20 0 GFADRO O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1cc(Br)cc2[nH]c(=O)[nH]c21 ZINC000616715848 565206307 /nfs/dbraw/zinc/20/63/07/565206307.db2.gz SAJGEYOLLMHUDS-TZMCWYRMSA-N 1 0 393.285 2.778 20 0 GFADRO CN(CCOCC[NH3+])C(=O)c1ccc(COc2ccc(Br)cc2)o1 ZINC000638677815 565207374 /nfs/dbraw/zinc/20/73/74/565207374.db2.gz FQCOQAAVOJLRKO-UHFFFAOYSA-N 1 0 397.269 2.668 20 0 GFADRO O=C(CN1CC[NH2+]CC1)N1CCC[C@H]1c1ccc(Br)cc1Cl ZINC000638690672 565207390 /nfs/dbraw/zinc/20/73/90/565207390.db2.gz YDAYIRCLKBCQAP-HNNXBMFYSA-N 1 0 386.721 2.671 20 0 GFADRO COc1nsc(C[NH2+][C@@H]2CCCC[C@@H]2N2CCOCC2)c1Br ZINC000638764087 565209536 /nfs/dbraw/zinc/20/95/36/565209536.db2.gz PNXMWYHBMYYKBX-NEPJUHHUSA-N 1 0 390.347 2.647 20 0 GFADRO O=C(c1ccc(Br)cc1F)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000638779401 565210439 /nfs/dbraw/zinc/21/04/39/565210439.db2.gz RWPICONLGFEERJ-AWEZNQCLSA-N 1 0 385.277 2.819 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCN(C(=O)Cc2ccc(Br)c(Br)c2)C1 ZINC000659306462 565211517 /nfs/dbraw/zinc/21/15/17/565211517.db2.gz OHSSGNWKXRGSOK-ONGXEEELSA-N 1 0 390.119 2.950 20 0 GFADRO C[C@@H](Cc1cc(Br)ccc1F)[NH2+]Cc1ccc(S(N)(=O)=O)o1 ZINC000638809588 565211626 /nfs/dbraw/zinc/21/16/26/565211626.db2.gz SMZSMMNXNZHXCZ-VIFPVBQESA-N 1 0 391.262 2.549 20 0 GFADRO [NH3+][C@H]1CCc2ncc(NC(=O)c3sc4c(c3Br)CNC4)cc2C1 ZINC000659303755 565211779 /nfs/dbraw/zinc/21/17/79/565211779.db2.gz VGEZTVVZFOJSHR-VIFPVBQESA-N 1 0 393.310 2.577 20 0 GFADRO COCC1(CNC(=O)Cc2c(Cl)cccc2Br)CC[NH2+]CC1 ZINC000659308368 565211846 /nfs/dbraw/zinc/21/18/46/565211846.db2.gz CWADVJRNFMNJBR-UHFFFAOYSA-N 1 0 389.721 2.777 20 0 GFADRO [NH3+]CCn1cc(C(=O)NC2(c3ccc(Br)cc3)CCCCC2)nn1 ZINC000659336229 565213922 /nfs/dbraw/zinc/21/39/22/565213922.db2.gz LRPVKABFRPKGQO-UHFFFAOYSA-N 1 0 392.301 2.589 20 0 GFADRO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)c2ccc(Br)cn2)cc1 ZINC000659352483 565214477 /nfs/dbraw/zinc/21/44/77/565214477.db2.gz LMVBKVMPNWYMJM-RDJZCZTQSA-N 1 0 390.281 2.728 20 0 GFADRO O=C([C@H]1C[NH2+]CCC1(F)F)N1CCOC[C@@H]1c1cccc(Br)c1 ZINC000659369766 565215662 /nfs/dbraw/zinc/21/56/62/565215662.db2.gz PMTZQUBTRNFBPL-ZIAGYGMSSA-N 1 0 389.240 2.594 20 0 GFADRO Cc1nn(-c2ccc(C(=O)N3C[C@H]([NH3+])C[C@@H]3C)cc2)c(C)c1Br ZINC000638936903 565217575 /nfs/dbraw/zinc/21/75/75/565217575.db2.gz FNNOOJKSMZIXFB-IINYFYTJSA-N 1 0 377.286 2.813 20 0 GFADRO CC(C)[C@H]([NH3+])CCNC(=O)NCCC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000659497091 565219363 /nfs/dbraw/zinc/21/93/63/565219363.db2.gz BBHGEXWFVHRWNA-CQSZACIVSA-N 1 0 375.300 2.995 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)CCNC(=O)c1ccc(Br)cc1 ZINC000617020977 565219401 /nfs/dbraw/zinc/21/94/01/565219401.db2.gz ODOBJERPWDIEHS-HNNXBMFYSA-N 1 0 396.329 2.558 20 0 GFADRO CN(C[C@@H]1CC[N@H+](C)C1)C(=O)c1cnc(Sc2nccn2C)c(Cl)c1 ZINC000591262490 565219519 /nfs/dbraw/zinc/21/95/19/565219519.db2.gz HUIJTDMGYFSECJ-GFCCVEGCSA-N 1 0 379.917 2.643 20 0 GFADRO Cc1c(Br)csc1C(=O)Nc1cc(N2CC[NH2+]CC2)ccn1 ZINC000638984466 565219969 /nfs/dbraw/zinc/21/99/69/565219969.db2.gz XJNKVCBEBVAWCA-UHFFFAOYSA-N 1 0 381.299 2.876 20 0 GFADRO O=C(NCCC1CC[NH2+]CC1)N1CCOC[C@@H]1c1ccc(Br)cc1 ZINC000659560875 565220329 /nfs/dbraw/zinc/22/03/29/565220329.db2.gz CMCJTHHZHFKGDV-QGZVFWFLSA-N 1 0 396.329 2.922 20 0 GFADRO O=C(N[C@H]1CCC[NH2+]CC1)N1CCOC[C@@H]1c1ccc(Br)cc1 ZINC000659537547 565220376 /nfs/dbraw/zinc/22/03/76/565220376.db2.gz SJKWLODBTLZWHC-JKSUJKDBSA-N 1 0 382.302 2.674 20 0 GFADRO COC[C@]1(CNC(=O)N2Cc3ccc(C)c(Br)c3C2)CCC[NH2+]1 ZINC000659542827 565220540 /nfs/dbraw/zinc/22/05/40/565220540.db2.gz QMEZTJSFNSAFMJ-QGZVFWFLSA-N 1 0 382.302 2.551 20 0 GFADRO O=C([C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21)N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000639025160 565220841 /nfs/dbraw/zinc/22/08/41/565220841.db2.gz YRMJSSJTWKMXLY-IERSGTSRSA-N 1 0 375.310 2.935 20 0 GFADRO Cc1cc(I)ccc1NC(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000591271910 565220971 /nfs/dbraw/zinc/22/09/71/565220971.db2.gz DALQZULZGUHKGK-BXUZGUMPSA-N 1 0 385.249 2.815 20 0 GFADRO O=C(N[C@@H]1CCCCc2cc(Br)ccc21)N1CCOC2(C[NH2+]C2)C1 ZINC000659628347 565221401 /nfs/dbraw/zinc/22/14/01/565221401.db2.gz OUOBXWKJLZBKML-MRXNPFEDSA-N 1 0 394.313 2.600 20 0 GFADRO O=C(NCC12CC(C1)C[NH2+]2)N1CCc2[nH]c3ccc(Br)cc3c2C1 ZINC000659612883 565221675 /nfs/dbraw/zinc/22/16/75/565221675.db2.gz XKNNMUPECKYTOQ-UHFFFAOYSA-N 1 0 389.297 2.750 20 0 GFADRO COC(=O)c1cc(NC(=O)N[C@H]2CCC[NH2+]CC2)c(Br)cc1F ZINC000591287303 565222040 /nfs/dbraw/zinc/22/20/40/565222040.db2.gz LELZJDFSUVYRDK-VIFPVBQESA-N 1 0 388.237 2.638 20 0 GFADRO COC(=O)c1cc(NC(=O)N(C)[C@@H](C[NH3+])C2CC2)c(Br)cc1F ZINC000591287260 565222047 /nfs/dbraw/zinc/22/20/47/565222047.db2.gz JGQDHJRWZJAINV-ZDUSSCGKSA-N 1 0 388.237 2.576 20 0 GFADRO CC[C@@H]1CN(C(=O)Nc2cccc(C(=O)OC)c2Br)CC[C@@H]1[NH3+] ZINC000591302005 565222512 /nfs/dbraw/zinc/22/25/12/565222512.db2.gz LBZMWWQIBKMBHI-PWSUYJOCSA-N 1 0 384.274 2.827 20 0 GFADRO CCOC(=O)c1cc(Br)ccc1NC(=O)N1CCC(C)([NH3+])CC1 ZINC000591292835 565222760 /nfs/dbraw/zinc/22/27/60/565222760.db2.gz GYKYUJGGFIEVDT-UHFFFAOYSA-N 1 0 384.274 2.971 20 0 GFADRO COCCN(CC[NH+](C)C)C(=O)CCSc1ccccc1Br ZINC000591302115 565222971 /nfs/dbraw/zinc/22/29/71/565222971.db2.gz IFLBDEYYCSDCDC-UHFFFAOYSA-N 1 0 389.359 2.968 20 0 GFADRO C[C@H](C[C@H]1CCCC(=O)N1)[NH2+]C[C@H](CO)Cc1ccc(Br)cc1 ZINC000639103896 565225302 /nfs/dbraw/zinc/22/53/02/565225302.db2.gz JMSPOIDJBSDQAS-FRFSOERESA-N 1 0 383.330 2.637 20 0 GFADRO CC[C@H](c1ccc(Br)cc1)N1CC[NH+](C[C@@H]2CNC(=O)C2)CC1 ZINC000659877030 565228155 /nfs/dbraw/zinc/22/81/55/565228155.db2.gz BNBZOUOXYCIODL-WMLDXEAASA-N 1 0 380.330 2.654 20 0 GFADRO Cc1n[nH]cc1C1CC[NH+](Cc2cnn3cc(Br)cnc23)CC1 ZINC000639146102 565228548 /nfs/dbraw/zinc/22/85/48/565228548.db2.gz CZIFPHAARVDPAV-UHFFFAOYSA-N 1 0 375.274 2.903 20 0 GFADRO O=C(C[N@@H+]1CCC[C@H]1Cn1cccn1)c1c[nH]c2ncc(Br)cc12 ZINC000659897721 565229504 /nfs/dbraw/zinc/22/95/04/565229504.db2.gz OUDSZKITQPQJGQ-ZDUSSCGKSA-N 1 0 388.269 2.869 20 0 GFADRO O=C(NCc1n[nH]cc1Br)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000591401966 565229840 /nfs/dbraw/zinc/22/98/40/565229840.db2.gz MQASNXIBEZGKTL-UHFFFAOYSA-N 1 0 392.301 2.636 20 0 GFADRO COc1nsc(C[NH2+][C@@H]2CCC[C@@H]3CN(C(C)=O)C[C@H]32)c1Br ZINC000639187060 565231728 /nfs/dbraw/zinc/23/17/28/565231728.db2.gz YSAFJBKSYUPLPI-IJLUTSLNSA-N 1 0 388.331 2.651 20 0 GFADRO C[N@H+](CC[C@H]1Sc2ccccc2NC1=O)CC(=O)NCc1cccs1 ZINC000659923681 565232701 /nfs/dbraw/zinc/23/27/01/565232701.db2.gz VQIVFKRTPSPGPR-MRXNPFEDSA-N 1 0 375.519 2.799 20 0 GFADRO C[C@@H](CNC(=O)NCc1cc(Br)c2c(c1)OCCO2)[N@H+](C)C1CC1 ZINC000591580297 565233377 /nfs/dbraw/zinc/23/33/77/565233377.db2.gz RJXGWCMHXADTHE-NSHDSACASA-N 1 0 398.301 2.502 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)c2cc(Br)c3c(c2)OCCO3)C1 ZINC000617350794 565233424 /nfs/dbraw/zinc/23/34/24/565233424.db2.gz CKSCZQGHOCHSNX-GFCCVEGCSA-N 1 0 383.286 2.823 20 0 GFADRO CCn1ccnc1[C@@H](NC[C@H](C)[NH3+])c1ccc(I)cc1 ZINC000591581395 565234338 /nfs/dbraw/zinc/23/43/38/565234338.db2.gz UMXKAXSAJHDWAN-FZMZJTMJSA-N 1 0 384.265 2.534 20 0 GFADRO [NH3+][C@@H]1CCC[C@H](CNC(=O)c2c(F)cccc2I)C1 ZINC000591685069 565236286 /nfs/dbraw/zinc/23/62/86/565236286.db2.gz GOUFIJRQNBDHAX-VHSXEESVSA-N 1 0 376.213 2.678 20 0 GFADRO Cc1csc(C(=O)Nc2cnc3c(c2)C[NH2+]CC3)c1I ZINC000591681327 565236609 /nfs/dbraw/zinc/23/66/09/565236609.db2.gz GKMJMDFPZFKCCS-UHFFFAOYSA-N 1 0 399.257 2.954 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CN(C)CC(=O)c1c[nH]c2ncc(Br)cc12 ZINC000659981279 565236672 /nfs/dbraw/zinc/23/66/72/565236672.db2.gz KPBBCMCYVKLTFP-ZDUSSCGKSA-N 1 0 379.302 2.924 20 0 GFADRO O=S1(=O)CCCN1CCC[NH2+]CC1=Cc2cc(Cl)cc(Cl)c2OC1 ZINC000591716985 565237204 /nfs/dbraw/zinc/23/72/04/565237204.db2.gz SJRWNDXIFCHHPD-UHFFFAOYSA-N 1 0 391.320 2.784 20 0 GFADRO Cc1ccc(Br)c(S(=O)(=O)N2CCCC[C@@H]2C[NH+](C)C)c1 ZINC000660008748 565237458 /nfs/dbraw/zinc/23/74/58/565237458.db2.gz GYBVEUOORKTAIP-CYBMUJFWSA-N 1 0 375.332 2.862 20 0 GFADRO Cc1cc(Br)c(S(=O)(=O)N2CCCC[C@H]2C[NH+](C)C)s1 ZINC000660008606 565237521 /nfs/dbraw/zinc/23/75/21/565237521.db2.gz DFJFKDWPPJXOMJ-NSHDSACASA-N 1 0 381.361 2.924 20 0 GFADRO Cc1cc(NC(=O)C[NH2+][C@@H](C)C[C@H]2CCCC(=O)N2)ccc1Br ZINC000639273354 565237594 /nfs/dbraw/zinc/23/75/94/565237594.db2.gz BIMGVJXPLXCPOR-QWHCGFSZSA-N 1 0 382.302 2.733 20 0 GFADRO Cc1cc(NC(=O)C[NH2+][C@@H](C)C[C@@H]2CCCC(=O)N2)ccc1Br ZINC000639273355 565237939 /nfs/dbraw/zinc/23/79/39/565237939.db2.gz BIMGVJXPLXCPOR-STQMWFEESA-N 1 0 382.302 2.733 20 0 GFADRO C[C@H]1C[NH+](CCN2CCN(Cc3ccc(Br)cc3)CC2)C[C@H](C)O1 ZINC000660010136 565238160 /nfs/dbraw/zinc/23/81/60/565238160.db2.gz FDHXWUKXWDIOHJ-IRXDYDNUSA-N 1 0 396.373 2.676 20 0 GFADRO COc1nsc(CN2CCC[C@H]([NH+]3CCOCC3)CC2)c1Br ZINC000639302864 565239315 /nfs/dbraw/zinc/23/93/15/565239315.db2.gz OQRKWFNSNOUXGX-LBPRGKRZSA-N 1 0 390.347 2.601 20 0 GFADRO CN1CCOC[C@@H]1C[NH2+][C@@H]1CCN(C)[C@H](c2ccc(Br)cc2)C1 ZINC000639352705 565240188 /nfs/dbraw/zinc/24/01/88/565240188.db2.gz QFCCVPKAQTUPGD-SQNIBIBYSA-N 1 0 382.346 2.505 20 0 GFADRO Brc1cnc2c(C[N@H+]3C[C@]45COC[C@@]4(C3)CCCC5)cnn2c1 ZINC000639335249 565240981 /nfs/dbraw/zinc/24/09/81/565240981.db2.gz ONGSSRWLGLSLHD-CALCHBBNSA-N 1 0 377.286 2.884 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+][C@H](CCO)c2cc(Cl)cc(Cl)c2)cc1 ZINC000639358146 565242429 /nfs/dbraw/zinc/24/24/29/565242429.db2.gz WUVJGDQIIAVTKY-MRXNPFEDSA-N 1 0 389.304 2.854 20 0 GFADRO CC(C)(O)C[N@H+](C[C@@H](O)COc1cc(Cl)cc(Cl)c1)C1CCOCC1 ZINC000639513880 565248606 /nfs/dbraw/zinc/24/86/06/565248606.db2.gz LBCJWLFGJIZIGO-MRXNPFEDSA-N 1 0 392.323 2.985 20 0 GFADRO O[C@H](C[N@@H+]1CCC[C@@H]1c1ccc(Br)s1)CC1(O)CCOCC1 ZINC000639577538 565250436 /nfs/dbraw/zinc/25/04/36/565250436.db2.gz KLZLYZNDFAQXHW-QWHCGFSZSA-N 1 0 390.343 2.940 20 0 GFADRO CN(C)C(=O)CC1CC[NH+](C[C@H](O)COc2cc(Cl)cc(Cl)c2)CC1 ZINC000639576024 565250716 /nfs/dbraw/zinc/25/07/16/565250716.db2.gz SIHSGIZRDNIVQQ-INIZCTEOSA-N 1 0 389.323 2.923 20 0 GFADRO C[C@H](C[N@H+](C)C[C@@H](O)CC1(O)CCOCC1)Oc1ccc(Cl)c(Cl)c1 ZINC000639605020 565251997 /nfs/dbraw/zinc/25/19/97/565251997.db2.gz AGKVQQFHQWIGQJ-KGLIPLIRSA-N 1 0 392.323 2.985 20 0 GFADRO Cc1ncc(CNC(=O)CC[NH2+][C@H](C)c2ccc(Br)cn2)s1 ZINC000639620157 565252591 /nfs/dbraw/zinc/25/25/91/565252591.db2.gz ZJXQIQFDQIYZQZ-SNVBAGLBSA-N 1 0 383.315 2.966 20 0 GFADRO COCC[N@@H+]1CCC[C@H](NC(=O)[C@@H](C)Oc2ccc(C)cc2Br)C1 ZINC000592098886 565255497 /nfs/dbraw/zinc/25/54/97/565255497.db2.gz ZKMLJIGQVDAHSH-CABCVRRESA-N 1 0 399.329 2.752 20 0 GFADRO O=C(C[NH2+][C@H]([C@H]1CCCO1)C1(CO)CCC1)Nc1ccccc1Br ZINC000639768696 565258546 /nfs/dbraw/zinc/25/85/46/565258546.db2.gz SFWINCGOSIFDSM-NVXWUHKLSA-N 1 0 397.313 2.687 20 0 GFADRO C[NH+](C)CCC[C@H]1CN(S(=O)(=O)Cc2cc(Cl)cc(Cl)c2)CCO1 ZINC000660157150 565261909 /nfs/dbraw/zinc/26/19/09/565261909.db2.gz NSYKTSTZCYGSSE-INIZCTEOSA-N 1 0 395.352 2.866 20 0 GFADRO Nc1nnc([C@@H]2CCC[N@H+](CCC(=O)Nc3c(Cl)cccc3Cl)C2)o1 ZINC000639822522 565262759 /nfs/dbraw/zinc/26/27/59/565262759.db2.gz UTPGTBWOJKPFKI-SNVBAGLBSA-N 1 0 384.267 3.167 20 0 GFADRO O[C@H](COc1ccc(Br)cc1)C[N@@H+]1CCC[C@@H](n2ccnn2)CC1 ZINC000639814992 565263118 /nfs/dbraw/zinc/26/31/18/565263118.db2.gz ULNDCLXVEABJLW-CVEARBPZSA-N 1 0 395.301 2.508 20 0 GFADRO COCc1cnc(NC(=O)NCc2ccnc(N3CCSCC3)c2)s1 ZINC000640130148 565279066 /nfs/dbraw/zinc/27/90/66/565279066.db2.gz UDVXSPPSPLMYQD-UHFFFAOYSA-N 1 0 379.511 2.559 20 0 GFADRO COC(=O)C[C@@H]([NH2+]C[C@H]1CNc2ccnn2C1)c1cccc(Br)c1 ZINC000592513129 565279974 /nfs/dbraw/zinc/27/99/74/565279974.db2.gz YDVUXNAOFMOTRP-SWLSCSKDSA-N 1 0 393.285 2.581 20 0 GFADRO Cc1nn(C)c(NC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)c1Br ZINC000640161458 565280971 /nfs/dbraw/zinc/28/09/71/565280971.db2.gz CKCOBZMKTPASEX-ZDUSSCGKSA-N 1 0 380.290 2.915 20 0 GFADRO C[C@H](CCc1ccc(I)cc1)CC(=O)NC[C@@H](C)C[NH3+] ZINC000592538479 565281056 /nfs/dbraw/zinc/28/10/56/565281056.db2.gz XDZUTEANGOEKTL-OLZOCXBDSA-N 1 0 388.293 2.961 20 0 GFADRO O=C(NCc1ccc(I)c(Cl)c1)[C@H]1CCCC[NH2+]1 ZINC000592563677 565282245 /nfs/dbraw/zinc/28/22/45/565282245.db2.gz JAWOJLQAMFWQGG-GFCCVEGCSA-N 1 0 378.641 2.703 20 0 GFADRO COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)CSCc1ccc(Cl)cc1Cl ZINC000592554886 565282397 /nfs/dbraw/zinc/28/23/97/565282397.db2.gz NUONCKBBQNQZOB-AWEZNQCLSA-N 1 0 391.320 2.590 20 0 GFADRO CN(Cc1ccccc1Br)C(=O)CN1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660652749 565288434 /nfs/dbraw/zinc/28/84/34/565288434.db2.gz KVCCPINXTHYDRY-LJQANCHMSA-N 1 0 394.357 2.825 20 0 GFADRO CN(CCOc1ccc(Br)cc1)C(=O)C[NH2+]C1(CCO)CCCC1 ZINC000660680310 565289670 /nfs/dbraw/zinc/28/96/70/565289670.db2.gz UXCHXYRSTDUJCI-UHFFFAOYSA-N 1 0 399.329 2.571 20 0 GFADRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)Nc1nn(CC(F)(F)F)cc1Cl ZINC000640293772 565294175 /nfs/dbraw/zinc/29/41/75/565294175.db2.gz YEPGWSORTLDYHD-PHIMTYICSA-N 1 0 381.830 3.483 20 0 GFADRO COc1c(Br)ccc(F)c1C(=O)N1C[C@@H](SC)[C@@H]([NH+](C)C)C1 ZINC000592780991 565295146 /nfs/dbraw/zinc/29/51/46/565295146.db2.gz UMVAISJASFOZAQ-NWDGAFQWSA-N 1 0 391.306 2.714 20 0 GFADRO COCC[N@H+](C)CCCNC(=O)NCc1sc(C)cc1Br ZINC000660826776 565295630 /nfs/dbraw/zinc/29/56/30/565295630.db2.gz DJQJPGXQHBMAPP-UHFFFAOYSA-N 1 0 378.336 2.587 20 0 GFADRO CC(C)[NH+](CCCNC(=O)NCC1(S(C)(=O)=O)CCCCC1)C(C)C ZINC000660862087 565296746 /nfs/dbraw/zinc/29/67/46/565296746.db2.gz BCZSCPVDDQFRGP-UHFFFAOYSA-N 1 0 375.579 2.542 20 0 GFADRO Cn1cc(Br)c(NC(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)n1 ZINC000640307372 565296850 /nfs/dbraw/zinc/29/68/50/565296850.db2.gz CTNVXUHKPSTAEU-HNNXBMFYSA-N 1 0 392.301 3.141 20 0 GFADRO O=C(CCn1cc(Br)cn1)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000618382068 565298306 /nfs/dbraw/zinc/29/83/06/565298306.db2.gz VRGLRUXOUYIAKK-UHFFFAOYSA-N 1 0 391.313 2.948 20 0 GFADRO CO[C@@H](c1ccc(Br)cc1)[C@H](C)NC(=O)N(C)CC1C[NH+](C)C1 ZINC000660987106 565301727 /nfs/dbraw/zinc/30/17/27/565301727.db2.gz PLSMNYKTDCJSHA-BLLLJJGKSA-N 1 0 384.318 2.728 20 0 GFADRO O=C(NCc1ccsc1Br)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000661133300 565308772 /nfs/dbraw/zinc/30/87/72/565308772.db2.gz RWBIFRBDRYAHHF-ZDUSSCGKSA-N 1 0 388.331 2.563 20 0 GFADRO COC(=O)[C@@H]1CN(C[C@H]2CCC[N@@H+]2C)C[C@H]1c1ccc(Br)cc1 ZINC000593034329 565308947 /nfs/dbraw/zinc/30/89/47/565308947.db2.gz CUYYTCWADFIBSU-IXDOHACOSA-N 1 0 381.314 2.732 20 0 GFADRO COC[C@@H]([NH2+]Cc1nnc(-c2ccc(Br)o2)o1)C1CCOCC1 ZINC000661161795 565311592 /nfs/dbraw/zinc/31/15/92/565311592.db2.gz ZNBLSBKDKSRCDX-LLVKDONJSA-N 1 0 386.246 2.623 20 0 GFADRO CO[C@@H]1CCC[C@H]([C@@H](CO)[NH2+]Cc2nc3cc(Br)ccc3[nH]2)C1 ZINC000661213396 565313669 /nfs/dbraw/zinc/31/36/69/565313669.db2.gz AWPAOOYANIIUNH-NORZTCDRSA-N 1 0 382.302 2.981 20 0 GFADRO CO[C@@H]1CCC[C@H]([C@@H](CO)[NH2+]CC(=O)Nc2ccc(Br)c(C)c2)C1 ZINC000661223330 565314898 /nfs/dbraw/zinc/31/48/98/565314898.db2.gz YLLFDVAJDKFKPJ-YSVLISHTSA-N 1 0 399.329 2.852 20 0 GFADRO C[C@@H]1COC2(CCC2)C[N@@H+]1C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000661470076 565324946 /nfs/dbraw/zinc/32/49/46/565324946.db2.gz RCPVGHZKFPOEFL-DOMZBBRYSA-N 1 0 388.277 2.971 20 0 GFADRO C[C@@H]1CCC[N@H+](C[C@H](O)COc2cc(F)cc(Br)c2)[C@@H]1CCO ZINC000661490604 565325730 /nfs/dbraw/zinc/32/57/30/565325730.db2.gz FEIMNEBZCJLQPB-ISTRZQFTSA-N 1 0 390.293 2.811 20 0 GFADRO C[C@H](C(=O)Nc1cccc(Cl)c1Cl)n1cc([C@H]([NH3+])[C@H]2CCCO2)nn1 ZINC000640782608 565326772 /nfs/dbraw/zinc/32/67/72/565326772.db2.gz VQIOVQXZJGIOFC-PKPZWWHKSA-N 1 0 384.267 2.963 20 0 GFADRO CN(Cc1ccccc1Br)C(=O)Cn1cc([C@H]([NH3+])C(C)(C)C)nn1 ZINC000640840101 565330024 /nfs/dbraw/zinc/33/00/24/565330024.db2.gz LZMGZJHJUWBHIB-INIZCTEOSA-N 1 0 394.317 2.745 20 0 GFADRO Cn1cc(Br)c(CN2CC[C@@H]([N@H+](C)CCc3ccccc3)C2)n1 ZINC000661639293 565331804 /nfs/dbraw/zinc/33/18/04/565331804.db2.gz NCHVQYGOZDGBSI-MRXNPFEDSA-N 1 0 377.330 2.931 20 0 GFADRO C[C@]12COC[C@H]1C[N@H+](C[C@H](O)COc1ccc(Cl)cc1Br)C2 ZINC000661703135 565334898 /nfs/dbraw/zinc/33/48/98/565334898.db2.gz IMJAYLAQQKWGQR-FFSVYQOJSA-N 1 0 390.705 2.811 20 0 GFADRO CCCCCNC(=O)[C@@H](C)n1cc([C@@H]([NH3+])c2ccc(Br)cc2)nn1 ZINC000640905164 565336455 /nfs/dbraw/zinc/33/64/55/565336455.db2.gz WXOFYIAIUMPXPA-WBMJQRKESA-N 1 0 394.317 2.956 20 0 GFADRO C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)n1cc(CCCC[NH3+])nn1 ZINC000640928139 565337619 /nfs/dbraw/zinc/33/76/19/565337619.db2.gz YIHRVAZMJOLOTH-CYBMUJFWSA-N 1 0 394.317 2.542 20 0 GFADRO Cn1cc(C[C@@H]2CCC[C@@H]2[NH2+][C@@H](C(N)=O)c2ccc(Br)cc2)cn1 ZINC000661775909 565338278 /nfs/dbraw/zinc/33/82/78/565338278.db2.gz DKYXZCCFXCSIEK-BHYGNILZSA-N 1 0 391.313 2.710 20 0 GFADRO C[C@@H](c1nc(C2CC2)no1)n1cc([C@H]([NH3+])c2ccc(Br)cc2)nn1 ZINC000640936722 565338783 /nfs/dbraw/zinc/33/87/83/565338783.db2.gz FXUYSUXWSYHILB-LKFCYVNXSA-N 1 0 389.257 2.958 20 0 GFADRO [NH3+]C1CCN(CCc2cn(Cc3cc(Br)ccc3Cl)nn2)CC1 ZINC000641040471 565342047 /nfs/dbraw/zinc/34/20/47/565342047.db2.gz KFUMGPNKPYUFCT-UHFFFAOYSA-N 1 0 398.736 2.708 20 0 GFADRO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)N[C@@H](CO)c1cccc(Br)c1 ZINC000661902436 565342772 /nfs/dbraw/zinc/34/27/72/565342772.db2.gz SKGQRIBSPSXFNG-YOEHRIQHSA-N 1 0 398.345 2.902 20 0 GFADRO Brc1ccc(/C=C\CCn2cc(CN3CC[NH2+]CC3)nn2)cc1 ZINC000641058825 565344013 /nfs/dbraw/zinc/34/40/13/565344013.db2.gz WJRYSZSVTGLZDZ-IWQZZHSRSA-N 1 0 376.302 2.549 20 0 GFADRO C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC000662042196 565346046 /nfs/dbraw/zinc/34/60/46/565346046.db2.gz XPKPUTUKSMOERU-BMFZPTHFSA-N 1 0 381.314 2.764 20 0 GFADRO CC(C)[C@H]([NH3+])c1cn(Cc2cc3c(cc2Br)OCCCO3)nn1 ZINC000641120489 565346817 /nfs/dbraw/zinc/34/68/17/565346817.db2.gz FZJBQDDGVYTOGD-INIZCTEOSA-N 1 0 381.274 2.906 20 0 GFADRO Cc1nnc([C@H](C)n2cc([C@H]([NH3+])c3ccc(Br)cc3)nn2)s1 ZINC000641143942 565350053 /nfs/dbraw/zinc/35/00/53/565350053.db2.gz DXWGQTYCJWLLHB-ISVAXAHUSA-N 1 0 379.287 2.858 20 0 GFADRO C[NH2+]C(C)(C)c1cn([C@@H]2CCc3cc(Br)ccc3NC2=O)nn1 ZINC000641164831 565351179 /nfs/dbraw/zinc/35/11/79/565351179.db2.gz RNPOXVUEKALGLP-CYBMUJFWSA-N 1 0 378.274 2.621 20 0 GFADRO [NH3+][C@@H](c1cn(CCOc2cc(F)cc(Br)c2)nn1)C1CCOCC1 ZINC000641174049 565352392 /nfs/dbraw/zinc/35/23/92/565352392.db2.gz GFWSCRQUBPEYQS-MRXNPFEDSA-N 1 0 399.264 2.685 20 0 GFADRO COC(=O)c1cc(Cl)c(C)c(S(=O)(=O)N2CCC[C@@H](C)[C@H]2CC[NH3+])c1 ZINC000593733739 565357973 /nfs/dbraw/zinc/35/79/73/565357973.db2.gz INOCJUNSMHGWJW-IAQYHMDHSA-N 1 0 388.917 2.573 20 0 GFADRO CC[NH+]1CCC(NC(=O)CN2C[C@H](C)Oc3cc(Br)ccc32)CC1 ZINC000662303861 565358915 /nfs/dbraw/zinc/35/89/15/565358915.db2.gz YXAGGCOTAAKEPJ-ZDUSSCGKSA-N 1 0 396.329 2.637 20 0 GFADRO CC(C)C[N@H+](C)CCCNC(=O)c1ccc(I)c(O)c1 ZINC000593755120 565359813 /nfs/dbraw/zinc/35/98/13/565359813.db2.gz XLWPYDPAKIKKKD-UHFFFAOYSA-N 1 0 390.265 2.705 20 0 GFADRO C[C@@H]1CCN(Cc2csc(-c3ccc(S(C)(=O)=O)cc3)n2)[C@H](C[NH3+])C1 ZINC000662316302 565360254 /nfs/dbraw/zinc/36/02/54/565360254.db2.gz ZMWHZNLSOZVCJM-CJNGLKHVSA-N 1 0 379.551 2.773 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)c1cc(F)ccc1I ZINC000619867989 565361193 /nfs/dbraw/zinc/36/11/93/565361193.db2.gz QFYRABLHQBOAIM-CHWSQXEVSA-N 1 0 376.213 2.643 20 0 GFADRO C[C@H](CNC(=O)c1sc2c(c1Br)CNC2)C[NH+]1CCCCC1 ZINC000662395029 565364435 /nfs/dbraw/zinc/36/44/35/565364435.db2.gz PBROTSAVSSAWAD-LLVKDONJSA-N 1 0 386.359 2.966 20 0 GFADRO O=C(c1sc2c(c1Br)CNC2)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000662396955 565364531 /nfs/dbraw/zinc/36/45/31/565364531.db2.gz QLWDVXRAMFUMQT-NSHDSACASA-N 1 0 384.343 2.814 20 0 GFADRO COC(=O)C[C@@H](NC(=O)[C@H]1CCC[NH2+]CC1)c1ccc(Br)cc1 ZINC000593901969 565366341 /nfs/dbraw/zinc/36/63/41/565366341.db2.gz LZRKNRLWKMTGOM-DZGCQCFKSA-N 1 0 383.286 2.559 20 0 GFADRO [NH3+]C[C@@H]1OCC[C@@H]1C(=O)Nc1nc(-c2cccc(Br)c2)cs1 ZINC000662436445 565367430 /nfs/dbraw/zinc/36/74/30/565367430.db2.gz AHRNHYKRNXFOML-AAEUAGOBSA-N 1 0 382.283 2.875 20 0 GFADRO O=C(Nc1ccc(Br)cc1F)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC000662435396 565367589 /nfs/dbraw/zinc/36/75/89/565367589.db2.gz XWEQABWXIADIMI-NSHDSACASA-N 1 0 382.237 2.747 20 0 GFADRO C[C@H]1CN(C(=O)Cc2ccc(Br)c(Br)c2)CC[C@@H]1[NH3+] ZINC000662419839 565367674 /nfs/dbraw/zinc/36/76/74/565367674.db2.gz OQUNHHMXHREBMM-ZANVPECISA-N 1 0 390.119 2.950 20 0 GFADRO Cc1ccc(NC(=O)c2cn([C@@H]3CCC[NH2+]CC3)nn2)cc1Br ZINC000662463862 565370062 /nfs/dbraw/zinc/37/00/62/565370062.db2.gz ACIPGAHYZVGKDG-CYBMUJFWSA-N 1 0 378.274 2.916 20 0 GFADRO CCc1ccc(CN2CCN(C(=O)c3cc4c(s3)CC[NH2+]C4)CC2)s1 ZINC000662468982 565370350 /nfs/dbraw/zinc/37/03/50/565370350.db2.gz WMGVZZDQNXIAKT-UHFFFAOYSA-N 1 0 375.563 2.976 20 0 GFADRO CCOc1c(Cl)cc(CNC(=O)[C@]2(C(F)(F)F)CC[NH2+]C2)cc1OC ZINC000662502493 565372831 /nfs/dbraw/zinc/37/28/31/565372831.db2.gz MEEABLCKYPEQAX-HNNXBMFYSA-N 1 0 380.794 2.906 20 0 GFADRO O=C(c1sc2c(c1Br)CNC2)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000662518532 565373321 /nfs/dbraw/zinc/37/33/21/565373321.db2.gz STKYKKYFMWZKHT-LLVKDONJSA-N 1 0 384.343 2.576 20 0 GFADRO O=C(N1CC[C@@H](N2CC[NH2+]CC2)C1)C1(c2c(Cl)cccc2Cl)CCC1 ZINC000662517722 565373654 /nfs/dbraw/zinc/37/36/54/565373654.db2.gz XDEYEVYSMLIMBS-CQSZACIVSA-N 1 0 382.335 2.921 20 0 GFADRO COc1ccc(CCC(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)c(Br)c1 ZINC000662517600 565373800 /nfs/dbraw/zinc/37/38/00/565373800.db2.gz NFTOKVLPLHWBSB-SFHVURJKSA-N 1 0 381.314 2.992 20 0 GFADRO COCC[N@@H+]1CCCN(C(=O)CCOc2ccc(Cl)c(Cl)c2)CC1 ZINC000620244856 565376895 /nfs/dbraw/zinc/37/68/95/565376895.db2.gz ILJNNSLQSNQBOQ-UHFFFAOYSA-N 1 0 375.296 2.943 20 0 GFADRO CN(CCc1ccc(Br)cc1)C(=O)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662566009 565377181 /nfs/dbraw/zinc/37/71/81/565377181.db2.gz KDPZADVXFLQGML-AWEZNQCLSA-N 1 0 379.220 2.992 20 0 GFADRO [NH3+]C[C@@H]1CC[C@H](NC(=O)Cc2ccc(Br)c(Br)c2)C1 ZINC000662569820 565377294 /nfs/dbraw/zinc/37/72/94/565377294.db2.gz CKYVZQXPCRNRKG-MNOVXSKESA-N 1 0 390.119 2.998 20 0 GFADRO Cc1c(Br)cncc1C(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1 ZINC000662576709 565378488 /nfs/dbraw/zinc/37/84/88/565378488.db2.gz NSLQIYWFPAEEOA-XJKSGUPXSA-N 1 0 378.245 2.859 20 0 GFADRO [NH3+][C@H]1CCCO[C@@H]1C1CCN(C(=O)Cc2ccc(Br)cc2F)CC1 ZINC000662576066 565378566 /nfs/dbraw/zinc/37/85/66/565378566.db2.gz VVCXZMSKOMJSKF-FUHWJXTLSA-N 1 0 399.304 2.876 20 0 GFADRO [NH3+]C[C@@H]1OCC[C@@H]1C(=O)N1CCC(COc2cc(Cl)cc(Cl)c2)CC1 ZINC000662623940 565379174 /nfs/dbraw/zinc/37/91/74/565379174.db2.gz HHJZRTCXJWJUER-IRXDYDNUSA-N 1 0 387.307 2.975 20 0 GFADRO [NH3+]C[C@@H]1OCC[C@H]1C(=O)NCC1(c2ccc(Br)cc2)CCCC1 ZINC000662621136 565379271 /nfs/dbraw/zinc/37/92/71/565379271.db2.gz DXZFKAGWQXQCQN-CVEARBPZSA-N 1 0 381.314 2.741 20 0 GFADRO CC1(C)CC[NH2+][C@@H]1C(=O)N1CCN(Cc2ccc(Br)s2)CC1 ZINC000662667557 565380907 /nfs/dbraw/zinc/38/09/07/565380907.db2.gz WLPWRYLPMZSYQA-CQSZACIVSA-N 1 0 386.359 2.543 20 0 GFADRO Cn1ncc(C2CC2)c1CNC(=O)[C@@](C)([NH3+])c1ccc(Br)cc1 ZINC000662665965 565381138 /nfs/dbraw/zinc/38/11/38/565381138.db2.gz JSPHRRBOTVWHKO-KRWDZBQOSA-N 1 0 377.286 2.550 20 0 GFADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)NCc1cocn1 ZINC000594324697 565381250 /nfs/dbraw/zinc/38/12/50/565381250.db2.gz MYWQFROXCRSXBB-UHFFFAOYSA-N 1 0 381.274 2.711 20 0 GFADRO O=C(NC[C@H]1CCN(c2ccc(Cl)cc2)C1)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662700599 565382189 /nfs/dbraw/zinc/38/21/89/565382189.db2.gz WHDVXWFRMYKCTB-WBMJQRKESA-N 1 0 375.822 2.825 20 0 GFADRO CC(C)([NH3+])c1cc(C(=O)N[C@H]2CCN(c3ccccc3Br)C2)on1 ZINC000662729571 565383635 /nfs/dbraw/zinc/38/36/35/565383635.db2.gz MCXSLQNDAGSJAR-NSHDSACASA-N 1 0 393.285 2.640 20 0 GFADRO COc1cc(OC)c(NC(=O)c2cc(C(C)(C)[NH3+])no2)cc1Br ZINC000662794995 565384211 /nfs/dbraw/zinc/38/42/11/565384211.db2.gz SNKVHTJPGUPMOF-UHFFFAOYSA-N 1 0 384.230 2.900 20 0 GFADRO CSc1cc(Br)ccc1C(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000620475882 565385104 /nfs/dbraw/zinc/38/51/04/565385104.db2.gz VISKDQMQFXCNLN-AWEZNQCLSA-N 1 0 399.354 2.842 20 0 GFADRO C[C@H](C(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1)c1cccc(Br)c1 ZINC000620477548 565385111 /nfs/dbraw/zinc/38/51/11/565385111.db2.gz KHQLBBZOYJXFDL-SUMWQHHRSA-N 1 0 381.314 2.610 20 0 GFADRO Cc1ccc(Br)cc1CNC(=O)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC000662801747 565385982 /nfs/dbraw/zinc/38/59/82/565385982.db2.gz KXBHYVRYRMHIQY-HNNXBMFYSA-N 1 0 392.301 2.594 20 0 GFADRO O=C(N1CCO[C@H](c2ccc(F)cc2Cl)C1)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662802177 565386141 /nfs/dbraw/zinc/38/61/41/565386141.db2.gz GKEPTACYRAKDPP-ZFWWWQNUSA-N 1 0 380.769 2.921 20 0 GFADRO O=C(N[C@H]1COc2cc(F)c(Br)cc21)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662811090 565386312 /nfs/dbraw/zinc/38/63/12/565386312.db2.gz GUVIVQOOUDAQPJ-GWCFXTLKSA-N 1 0 397.166 2.680 20 0 GFADRO O=C(c1cc(Cl)ccc1Br)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000620486753 565386441 /nfs/dbraw/zinc/38/64/41/565386441.db2.gz MSEIDHKLAQHPJW-CYBMUJFWSA-N 1 0 387.705 2.774 20 0 GFADRO O=C(c1cc2cc(Br)ccc2[nH]1)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000620487507 565386470 /nfs/dbraw/zinc/38/64/70/565386470.db2.gz ZYCJAFWSPHFKPF-HNNXBMFYSA-N 1 0 392.297 2.602 20 0 GFADRO Cc1c(C[NH3+])c(NC(=O)CCOc2ccc(C)cc2Br)nn1C ZINC000662840516 565387273 /nfs/dbraw/zinc/38/72/73/565387273.db2.gz BXXOETVPAQOAEW-UHFFFAOYSA-N 1 0 381.274 2.666 20 0 GFADRO [NH3+]CCc1nc(C(=O)N2CCN(c3ccc(Cl)cc3Cl)CC2)cs1 ZINC000662857855 565388814 /nfs/dbraw/zinc/38/88/14/565388814.db2.gz RQJZKILXPRDJKR-UHFFFAOYSA-N 1 0 385.320 2.914 20 0 GFADRO [NH3+][C@H]1C[C@H](C(=O)N2CCc3cc(Br)c(Br)cc3C2)C1 ZINC000662929755 565390005 /nfs/dbraw/zinc/39/00/05/565390005.db2.gz IZDBQQRQEYUHQE-HOMQSWHASA-N 1 0 388.103 2.834 20 0 GFADRO C[C@]([NH3+])(C(=O)N1CCO[C@@H](CC(F)(F)F)C1)c1ccc(Br)cc1 ZINC000662950525 565391061 /nfs/dbraw/zinc/39/10/61/565391061.db2.gz MJVFHKPCMGXJSL-GXTWGEPZSA-N 1 0 395.219 2.803 20 0 GFADRO C[C@@]1(NC(=O)[C@H]2CCCN(C(=O)c3ccc(Cl)c(Cl)c3)C2)CC[NH2+]C1 ZINC000663009391 565392464 /nfs/dbraw/zinc/39/24/64/565392464.db2.gz SWCPOQHWPIMCFP-SCLBCKFNSA-N 1 0 384.307 2.714 20 0 GFADRO C[C@]1(NC(=O)[C@H]2CCCN(C(=O)c3ccc(Cl)c(Cl)c3)C2)CC[NH2+]C1 ZINC000663009393 565392579 /nfs/dbraw/zinc/39/25/79/565392579.db2.gz SWCPOQHWPIMCFP-UGSOOPFHSA-N 1 0 384.307 2.714 20 0 GFADRO O=C(c1ccc(Cl)s1)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000663015004 565393603 /nfs/dbraw/zinc/39/36/03/565393603.db2.gz KCTTXTDUNSISPB-LBPRGKRZSA-N 1 0 379.917 2.554 20 0 GFADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+][C@H](CO)CC1CCC1 ZINC000641756083 565397311 /nfs/dbraw/zinc/39/73/11/565397311.db2.gz AJNDVOWHEAUUKM-WBMJQRKESA-N 1 0 399.329 2.603 20 0 GFADRO O=C(NC[C@H]1CC[N@@H+]1Cc1ccccc1)c1cc[nH]c(=O)c1Br ZINC000620786356 565397518 /nfs/dbraw/zinc/39/75/18/565397518.db2.gz ZQKHQVQACWAUCY-CYBMUJFWSA-N 1 0 376.254 2.554 20 0 GFADRO Cc1cc(Br)ccc1[C@@H](C)[NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000641776774 565398327 /nfs/dbraw/zinc/39/83/27/565398327.db2.gz CIFNDRRQVABAIF-OLZOCXBDSA-N 1 0 375.332 2.690 20 0 GFADRO Cc1cc(Br)ccc1[C@@H](C)[NH2+][C@H]1CCN(CCN2CCOCC2)C1 ZINC000641774920 565398717 /nfs/dbraw/zinc/39/87/17/565398717.db2.gz VKFOKEISZDJRAL-AEFFLSMTSA-N 1 0 396.373 2.815 20 0 GFADRO CC(C)([NH3+])CCNS(=O)(=O)c1cccc(COCC(F)(F)C(F)F)c1 ZINC000641807273 565399419 /nfs/dbraw/zinc/39/94/19/565399419.db2.gz WYJJPRHCEXLNEO-UHFFFAOYSA-N 1 0 386.411 2.509 20 0 GFADRO CC[C@@H]1CN(C(=O)c2cc(=O)[nH]c3c(Br)cccc23)C[C@H](C)[NH2+]1 ZINC000620902262 565400852 /nfs/dbraw/zinc/40/08/52/565400852.db2.gz PYQJRVTUWGLRHL-WDEREUQCSA-N 1 0 378.270 2.915 20 0 GFADRO Cc1cc(OC[C@@H](O)C[NH2+]C[C@@H]2CCS(=O)(=O)C2)c(C(C)C)cc1Cl ZINC000641966704 565403549 /nfs/dbraw/zinc/40/35/49/565403549.db2.gz FBQZVFAYZNMSJE-GJZGRUSLSA-N 1 0 389.945 2.536 20 0 GFADRO O=C(N[C@H]1CC[N@H+](CC2CC2)C1)c1cnn(-c2ccc(Br)cc2)c1 ZINC000594667974 565404298 /nfs/dbraw/zinc/40/42/98/565404298.db2.gz OATZFHGNMMNRNO-INIZCTEOSA-N 1 0 389.297 2.849 20 0 GFADRO O=C(NC[C@@H]1C[NH2+]CCCO1)N1CCC[C@@H]1c1ccccc1Br ZINC000642000888 565404280 /nfs/dbraw/zinc/40/42/80/565404280.db2.gz DWZYTYSRKGVRMO-XJKSGUPXSA-N 1 0 382.302 2.674 20 0 GFADRO C[C@H](NC(=O)C(=O)N[C@H]1CCC[NH2+]CC1)c1cc(F)c(Cl)cc1Cl ZINC000642096175 565405031 /nfs/dbraw/zinc/40/50/31/565405031.db2.gz LECRRVPNNPOIIS-UWVGGRQHSA-N 1 0 376.259 2.568 20 0 GFADRO CS(=O)(=O)c1cccc(Cl)c1C(=O)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000621108397 565405960 /nfs/dbraw/zinc/40/59/60/565405960.db2.gz ZIUYDFMEJHJBSM-CQSZACIVSA-N 1 0 384.929 2.595 20 0 GFADRO CN([C@H](C[NH3+])C(F)(F)F)S(=O)(=O)c1cccc(Br)c1Cl ZINC000663310382 565410989 /nfs/dbraw/zinc/41/09/89/565410989.db2.gz VIRBTZUTHVSMBF-MRVPVSSYSA-N 1 0 395.628 2.613 20 0 GFADRO COC(=O)CCN1CCC[C@H]([NH2+][C@H](C)c2ccc(Br)cc2)C1=O ZINC000594710052 565411107 /nfs/dbraw/zinc/41/11/07/565411107.db2.gz IOTWBFNLHPULJU-DOMZBBRYSA-N 1 0 383.286 2.654 20 0 GFADRO CCSc1nnc(NC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)s1 ZINC000642400640 565412551 /nfs/dbraw/zinc/41/25/51/565412551.db2.gz YXHFOPMVTRIBKS-UHFFFAOYSA-N 1 0 377.539 3.568 20 0 GFADRO CC(C)[NH2+][C@H]1CCCN(CC(=O)N(C)Cc2ccccc2Br)C1 ZINC000594750659 565414591 /nfs/dbraw/zinc/41/45/91/565414591.db2.gz ZFNBFYHVNHPKFZ-INIZCTEOSA-N 1 0 382.346 2.870 20 0 GFADRO CNS(=O)(=O)CC[NH2+][C@H]1CCN(C(C)(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000621291045 565416068 /nfs/dbraw/zinc/41/60/68/565416068.db2.gz DMVSBLUMKDCKSI-HOTGVXAUSA-N 1 0 391.940 2.532 20 0 GFADRO C[C@H](O)[C@@H]([NH2+]C[C@H](O)COc1ccc(Br)cc1)c1ccccc1 ZINC000663376286 565416161 /nfs/dbraw/zinc/41/61/61/565416161.db2.gz QPIXRXCXRXCBFI-QANKJYHBSA-N 1 0 380.282 2.901 20 0 GFADRO COCC[N@@H+]1CCCN(C(=O)Cc2sc(C)nc2-c2cccs2)CC1 ZINC000642689359 565416569 /nfs/dbraw/zinc/41/65/69/565416569.db2.gz CCAOEEJJGFMAML-UHFFFAOYSA-N 1 0 379.551 2.903 20 0 GFADRO CN(C)S(=O)(=O)c1ccccc1NCC1([NH+]2CCSCC2)CCCC1 ZINC000663388685 565417486 /nfs/dbraw/zinc/41/74/86/565417486.db2.gz WFVAKFZXTVQKSX-UHFFFAOYSA-N 1 0 383.583 2.710 20 0 GFADRO C[C@H](NC(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1)c1ccc(Br)cc1 ZINC000663443014 565421073 /nfs/dbraw/zinc/42/10/73/565421073.db2.gz NRIXAUMPOFZDMC-GUYCJALGSA-N 1 0 396.329 2.751 20 0 GFADRO Cc1nc(CSc2ccc(C(=O)N3CCOC4(C[NH2+]C4)C3)cc2)cs1 ZINC000663485165 565422900 /nfs/dbraw/zinc/42/29/00/565422900.db2.gz AHMCDWJOSURBCV-UHFFFAOYSA-N 1 0 375.519 2.558 20 0 GFADRO [NH3+][C@@H]1CCC[C@H](NC(=O)C(=O)Nc2ccc(OC(F)(F)F)cc2Cl)C1 ZINC000663605195 565427819 /nfs/dbraw/zinc/42/78/19/565427819.db2.gz QEACDVHEGXUATN-BDAKNGLRSA-N 1 0 379.766 2.563 20 0 GFADRO C[C@@]1(NC(=O)Nc2cc(Br)cc(C(=O)N3CCCC3)c2)CC[NH2+]C1 ZINC000663594575 565428179 /nfs/dbraw/zinc/42/81/79/565428179.db2.gz YLIYFOXYIQPMQT-QGZVFWFLSA-N 1 0 395.301 2.559 20 0 GFADRO CO[C@H](C[NH2+]Cc1ccc(F)cc1I)[C@@H]1CCOC1 ZINC000594949630 565436997 /nfs/dbraw/zinc/43/69/97/565436997.db2.gz FMYWORXJONLLTL-BXUZGUMPSA-N 1 0 379.213 2.571 20 0 GFADRO COc1cc(C[NH2+][C@@H](CO)C2CCC2)cc(I)c1OC ZINC000594957582 565437084 /nfs/dbraw/zinc/43/70/84/565437084.db2.gz UGOAMAKTIRNGAS-ZDUSSCGKSA-N 1 0 391.249 2.559 20 0 GFADRO OC[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1Nc1cc(Br)cnn1 ZINC000663727530 565432706 /nfs/dbraw/zinc/43/27/06/565432706.db2.gz RGKZTWDPJBHUBG-HOCLYGCPSA-N 1 0 377.286 2.534 20 0 GFADRO CC1([NH3+])CCN(C(=O)C(=O)N(Cc2cccs2)Cc2cccs2)CC1 ZINC000643478180 565434212 /nfs/dbraw/zinc/43/42/12/565434212.db2.gz ABEGJXAJIFDFJY-UHFFFAOYSA-N 1 0 377.535 2.678 20 0 GFADRO CCCN(Cc1ccccc1Br)C(=O)C(=O)N1CCC(C)([NH3+])CC1 ZINC000643489406 565434500 /nfs/dbraw/zinc/43/45/00/565434500.db2.gz ZRVCBKDXPYHWDP-UHFFFAOYSA-N 1 0 396.329 2.528 20 0 GFADRO CCN(C(=O)NCCC(=O)Nc1ccc(Br)cc1)[C@H]1CC[N@H+](C)C1 ZINC000663764470 565434907 /nfs/dbraw/zinc/43/49/07/565434907.db2.gz NJNNFYPODXCPOA-HNNXBMFYSA-N 1 0 397.317 2.513 20 0 GFADRO [NH3+]CC1(O)CCN(C(=O)C2(c3cccc(Br)c3)CCCC2)CC1 ZINC000643608244 565435460 /nfs/dbraw/zinc/43/54/60/565435460.db2.gz YWXJCLAWKSMEDM-UHFFFAOYSA-N 1 0 381.314 2.573 20 0 GFADRO CC[C@@H](N[C@H]1CC[NH2+]C2(CCC2)C1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000643547469 565435761 /nfs/dbraw/zinc/43/57/61/565435761.db2.gz FVXVKCLJCYNOKM-GOEBONIOSA-N 1 0 385.961 2.964 20 0 GFADRO C[C@@H](Cn1cncn1)[NH2+]Cc1cc(Cl)ccc1I ZINC000594917718 565436059 /nfs/dbraw/zinc/43/60/59/565436059.db2.gz MNDRHMWYRXJLEX-VIFPVBQESA-N 1 0 376.629 2.714 20 0 GFADRO COCC[C@H](Cc1cccc(Br)c1)C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000621687720 565436961 /nfs/dbraw/zinc/43/69/61/565436961.db2.gz JTLXTKLLENQYPQ-GPMSIDNRSA-N 1 0 395.341 2.984 20 0 GFADRO [NH3+][C@]12CCC[C@@H]1CN(C(=O)CCNc1ncc(C(F)(F)F)cc1Cl)C2 ZINC000621689961 565437232 /nfs/dbraw/zinc/43/72/32/565437232.db2.gz OFXHTCBAVNUDBF-BMIGLBTASA-N 1 0 376.810 2.896 20 0 GFADRO COC[C@@H]([NH2+]Cc1cccc(I)c1)C1CCOCC1 ZINC000594957662 565437513 /nfs/dbraw/zinc/43/75/13/565437513.db2.gz SJJAKTFDPTWIDN-OAHLLOKOSA-N 1 0 375.250 2.822 20 0 GFADRO CO[C@@H](C[NH2+]Cc1c(F)ccc(I)c1F)[C@@H]1CCOC1 ZINC000594948968 565437519 /nfs/dbraw/zinc/43/75/19/565437519.db2.gz CXBQHYBGMPSABF-RNCFNFMXSA-N 1 0 397.203 2.711 20 0 GFADRO NC(=O)[C@@H]1CC[C@H]([NH2+]Cc2cc(Cl)ccc2I)C1 ZINC000594947359 565437643 /nfs/dbraw/zinc/43/76/43/565437643.db2.gz ZUIGNDGDXVSQJI-KCJUWKMLSA-N 1 0 378.641 2.688 20 0 GFADRO CC(C)(NC(=O)c1cn([C@H]2CCC[NH2+]C2)nn1)c1ccc(Br)cc1 ZINC000643645497 565437693 /nfs/dbraw/zinc/43/76/93/565437693.db2.gz YKMPIAMKUZMYPR-AWEZNQCLSA-N 1 0 392.301 2.630 20 0 GFADRO C[S@](=O)[C@@H]1CCC[C@@H]([NH2+]Cc2ncc(I)s2)C1 ZINC000594963089 565438630 /nfs/dbraw/zinc/43/86/30/565438630.db2.gz AYYDZKXMKHCRID-MHIIWPAESA-N 1 0 384.308 2.527 20 0 GFADRO CC(=O)N1CC[C@@H]([NH2+]CCn2cc(Br)ccc2=O)c2ccccc21 ZINC000621763525 565441480 /nfs/dbraw/zinc/44/14/80/565441480.db2.gz ZFZRHWUIMVEFEW-MRXNPFEDSA-N 1 0 390.281 2.698 20 0 GFADRO COCC[C@](C)(O)C[NH2+][C@H]1CCc2ccc(I)cc21 ZINC000595009361 565442684 /nfs/dbraw/zinc/44/26/84/565442684.db2.gz RKEPJEUSQXSKHQ-GJZGRUSLSA-N 1 0 375.250 2.656 20 0 GFADRO O=C(NC[C@H]1CCC[NH2+]C1)NCC(F)(F)c1ccc(Br)cc1 ZINC000621847353 565443478 /nfs/dbraw/zinc/44/34/78/565443478.db2.gz ZSURLASOOFMISH-NSHDSACASA-N 1 0 376.245 2.840 20 0 GFADRO O=C1C[C@H]([NH2+][C@@H]2CCc3ccc(I)cc32)CN1C1CC1 ZINC000595025870 565443424 /nfs/dbraw/zinc/44/34/24/565443424.db2.gz JMQMIEOMPIYOGF-SWLSCSKDSA-N 1 0 382.245 2.631 20 0 GFADRO O=C(NCC(F)(F)c1ccc(Br)cc1)N[C@@H]1CC12CC[NH2+]CC2 ZINC000621850322 565444535 /nfs/dbraw/zinc/44/45/35/565444535.db2.gz UFFGDYJAPOGUPD-CYBMUJFWSA-N 1 0 388.256 2.982 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)NCC(F)(F)c2ccc(Br)cc2)C1 ZINC000621851302 565445010 /nfs/dbraw/zinc/44/50/10/565445010.db2.gz QJTLWHLGOIDKNN-GHMZBOCLSA-N 1 0 376.245 2.920 20 0 GFADRO CC(C)C[NH2+]C1(CO)CCN(c2nc(C3CC3)ncc2Br)CC1 ZINC000663961882 565445434 /nfs/dbraw/zinc/44/54/34/565445434.db2.gz BGXUSGWVIKAVIQ-UHFFFAOYSA-N 1 0 383.334 2.693 20 0 GFADRO CCN(C(=O)N[C@@H]1CCN(c2ccc(Br)cc2)C1)[C@@H]1CC[N@H+](C)C1 ZINC000663974690 565446541 /nfs/dbraw/zinc/44/65/41/565446541.db2.gz LNXZNHFJRCOYIR-NVXWUHKLSA-N 1 0 395.345 2.763 20 0 GFADRO C[C@H](CCNC(=O)N[C@@H]1CCN(c2ccc(Br)cc2)C1)[NH+](C)C ZINC000663976575 565448058 /nfs/dbraw/zinc/44/80/58/565448058.db2.gz WNRXHTNWGDCWQG-UKRRQHHQSA-N 1 0 383.334 2.667 20 0 GFADRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)c1cc(Br)c[nH]c1=O ZINC000621954794 565450343 /nfs/dbraw/zinc/45/03/43/565450343.db2.gz KCWMEXNCSMWZLO-BLLLJJGKSA-N 1 0 390.281 2.800 20 0 GFADRO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1cc(Br)c[nH]c1=O ZINC000621943923 565450788 /nfs/dbraw/zinc/45/07/88/565450788.db2.gz QFQHJLIZZUNAJD-GFCCVEGCSA-N 1 0 378.270 2.800 20 0 GFADRO COc1cc2[nH+]ccc(NC[C@@H](OC)[C@@H]3CCOC3)c2cc1Br ZINC000664156934 565453127 /nfs/dbraw/zinc/45/31/27/565453127.db2.gz FPJKFWUBTUHUAV-PIGZYNQJSA-N 1 0 381.270 2.891 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)N1CCOC[C@@H]1c1ccc(Br)cc1 ZINC000664131127 565453483 /nfs/dbraw/zinc/45/34/83/565453483.db2.gz YFVNOFAZICWUIA-NVXWUHKLSA-N 1 0 394.313 2.769 20 0 GFADRO [NH3+][C@@]12CCC[C@@H]1CN(S(=O)(=O)c1cc(Br)ccc1Cl)C2 ZINC000622012820 565455027 /nfs/dbraw/zinc/45/50/27/565455027.db2.gz GPUWXSGFIADABC-NOZJJQNGSA-N 1 0 379.707 2.604 20 0 GFADRO [NH3+][C@@]12CCC[C@H]1CN(S(=O)(=O)c1cc(Br)ccc1Cl)C2 ZINC000622012823 565455485 /nfs/dbraw/zinc/45/54/85/565455485.db2.gz GPUWXSGFIADABC-TVQRCGJNSA-N 1 0 379.707 2.604 20 0 GFADRO [NH3+]C1(CNC(=O)Nc2ccc(F)cc2I)CCCC1 ZINC000595237417 565457165 /nfs/dbraw/zinc/45/71/65/565457165.db2.gz YNBQECMKXDRUNP-UHFFFAOYSA-N 1 0 377.201 2.823 20 0 GFADRO CC(C)C[C@H](C[NH3+])NC(=O)[C@@H](NC(=O)c1ccccc1Br)C(C)C ZINC000644088606 565458228 /nfs/dbraw/zinc/45/82/28/565458228.db2.gz DDZHKZPTDAGBMS-CJNGLKHVSA-N 1 0 398.345 2.693 20 0 GFADRO [NH3+]C1(C(=O)NCCc2ccc(I)s2)CC2(CCC2)C1 ZINC000595252807 565459360 /nfs/dbraw/zinc/45/93/60/565459360.db2.gz GMHPHIBZGKVUKJ-UHFFFAOYSA-N 1 0 390.290 2.673 20 0 GFADRO CCC[N@@H+]1CC[C@@H](NS(=O)(=O)c2c(Cl)cc(Cl)cc2C(=O)OC)C1 ZINC000595355813 565467511 /nfs/dbraw/zinc/46/75/11/565467511.db2.gz RQCQBWIRPHRIRA-LLVKDONJSA-N 1 0 395.308 2.543 20 0 GFADRO O[C@@H](C[NH2+]CCOCC1CC1)COc1ccc(Cl)cc1Br ZINC000644557216 565481278 /nfs/dbraw/zinc/48/12/78/565481278.db2.gz PHZDJPFISOCJNC-ZDUSSCGKSA-N 1 0 378.694 2.858 20 0 GFADRO Cn1nc(C[NH2+]C[C@H](O)COc2ccc(Br)cc2)c2ccccc21 ZINC000644622993 565485571 /nfs/dbraw/zinc/48/55/71/565485571.db2.gz VXEKRCOINXCELD-AWEZNQCLSA-N 1 0 390.281 2.865 20 0 GFADRO Cc1cccc(CC[NH2+]C[C@@H](O)COc2cc(F)cc(Br)c2)n1 ZINC000644635871 565486809 /nfs/dbraw/zinc/48/68/09/565486809.db2.gz GQLTWHQLHMFZFN-MRXNPFEDSA-N 1 0 383.261 2.864 20 0 GFADRO C[N@H+](C[C@@H](O)CNCc1c(F)c(F)c(Br)c(F)c1F)C1CC1 ZINC000644677159 565489114 /nfs/dbraw/zinc/48/91/14/565489114.db2.gz PYHQAINECZXFPZ-QMMMGPOBSA-N 1 0 385.199 2.550 20 0 GFADRO O=C(Nc1cccc(C[N@H+]2CC[C@H](O)C2)c1)c1ccc(Br)c([O-])c1 ZINC000644693709 565489763 /nfs/dbraw/zinc/48/97/63/565489763.db2.gz FVJHBORYAKSAQY-HNNXBMFYSA-N 1 0 391.265 2.974 20 0 GFADRO Cc1cc(NC(=O)c2cc(Br)c[nH]c2=O)n(C2CC[NH+](C)CC2)n1 ZINC000623019869 565490405 /nfs/dbraw/zinc/49/04/05/565490405.db2.gz MNSHNBDMNZEBFG-UHFFFAOYSA-N 1 0 394.273 2.574 20 0 GFADRO O=C(c1nc(C2CC2)ncc1Br)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000623062175 565492813 /nfs/dbraw/zinc/49/28/13/565492813.db2.gz LQKMFUXVGXAZHS-CQSZACIVSA-N 1 0 393.329 2.968 20 0 GFADRO O=C(c1nc(C2CC2)ncc1Br)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000623066280 565492882 /nfs/dbraw/zinc/49/28/82/565492882.db2.gz CYEKDSJNYBAYMY-CQSZACIVSA-N 1 0 393.329 2.968 20 0 GFADRO O=C(c1nc(C2CC2)ncc1Br)N1CCC([NH2+]CC2CC2)CC1 ZINC000623060089 565493134 /nfs/dbraw/zinc/49/31/34/565493134.db2.gz DYMZZUVUWOAJML-UHFFFAOYSA-N 1 0 379.302 2.721 20 0 GFADRO O=[S@](CCN1CCC([N@@H+]2CC[C@H](O)C2)CC1)c1cc(Cl)ccc1Cl ZINC000595864534 565494749 /nfs/dbraw/zinc/49/47/49/565494749.db2.gz BRMPQZBFJDDCLU-IZHWHUGBSA-N 1 0 391.364 2.632 20 0 GFADRO COC(=O)[C@H](c1cccc(Cl)c1Cl)N(C)C[C@@H](O)C[N@H+](C)C(C)C ZINC000595853780 565495109 /nfs/dbraw/zinc/49/51/09/565495109.db2.gz YBXBDSKEXGXCFP-LRDDRELGSA-N 1 0 377.312 2.840 20 0 GFADRO CCOc1c(Br)cc(C(=O)N2CC[C@@H]3C[N@H+](C)C[C@H]32)cc1OC ZINC000644820308 565496489 /nfs/dbraw/zinc/49/64/89/565496489.db2.gz VSESABQIGLXVAX-BXUZGUMPSA-N 1 0 383.286 2.633 20 0 GFADRO C[N@@H+]1C[C@H]2CCN(C(=O)c3[nH]nc(-c4ccccc4)c3Br)[C@@H]2C1 ZINC000644822586 565496687 /nfs/dbraw/zinc/49/66/87/565496687.db2.gz LEMLECHCJFBBLE-CHWSQXEVSA-N 1 0 375.270 2.615 20 0 GFADRO COc1ccc(Br)cc1C(=O)CCC(=O)N1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC000644820387 565497285 /nfs/dbraw/zinc/49/72/85/565497285.db2.gz WVTWBLPDUNROIH-WFASDCNBSA-N 1 0 395.297 2.583 20 0 GFADRO O=C(NCCc1ccc(I)s1)C1([NH2+]C2CC2)CCC1 ZINC000595931433 565500366 /nfs/dbraw/zinc/50/03/66/565500366.db2.gz DCWPLOSRUVNPQW-UHFFFAOYSA-N 1 0 390.290 2.686 20 0 GFADRO [NH3+]CC12CC(C1)CN2C(=O)CCCCc1ccc(I)cc1 ZINC000595943632 565500904 /nfs/dbraw/zinc/50/09/04/565500904.db2.gz QHUDYILCIQQEAC-UHFFFAOYSA-N 1 0 398.288 2.954 20 0 GFADRO C[NH+](C)CCNC(=O)c1ccc(NC(=O)c2c(Cl)cncc2Cl)cc1 ZINC000644893936 565501058 /nfs/dbraw/zinc/50/10/58/565501058.db2.gz GEXUOIFEEBEJJQ-UHFFFAOYSA-N 1 0 381.263 2.932 20 0 GFADRO O=C(NC[C@H](CO)c1ccc(Cl)cc1)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000665514392 565502861 /nfs/dbraw/zinc/50/28/61/565502861.db2.gz ARIIOEZXAIADHK-AEFFLSMTSA-N 1 0 382.957 2.750 20 0 GFADRO O=C(CC[NH2+]Cc1ccc(Br)c(F)c1F)NCc1cccnc1 ZINC000623380221 565506610 /nfs/dbraw/zinc/50/66/10/565506610.db2.gz WNLCLRZIMCTARI-UHFFFAOYSA-N 1 0 384.224 2.918 20 0 GFADRO CCC[N@@H+]1CC[C@@H](CNC(=O)Nc2cnc3c(Br)cccn23)C1 ZINC000645010169 565508054 /nfs/dbraw/zinc/50/80/54/565508054.db2.gz ZBCYHLMUMLNBMN-LBPRGKRZSA-N 1 0 380.290 2.950 20 0 GFADRO CC[C@H](CCO)[NH2+]Cc1cc(Cl)cc(Cl)c1OCCN1CCOCC1 ZINC000623428407 565509106 /nfs/dbraw/zinc/50/91/06/565509106.db2.gz JNBNSQPOAVOWOK-MRXNPFEDSA-N 1 0 391.339 2.955 20 0 GFADRO O=C1[C@@H]([NH2+][C@H]2CCc3cccc(Br)c3C2)CCN1C1CCOCC1 ZINC000645160974 565514803 /nfs/dbraw/zinc/51/48/03/565514803.db2.gz XSYOKKKXLUDJRZ-KSSFIOAISA-N 1 0 393.325 2.676 20 0 GFADRO CN(CCOc1ccc(Br)cc1)C(=O)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000645185988 565515859 /nfs/dbraw/zinc/51/58/59/565515859.db2.gz JXZZZPPVXYGCIZ-DLBZAZTESA-N 1 0 381.314 2.922 20 0 GFADRO Cc1cc(C[NH2+]C[C@@H]2CS(=O)(=O)c3ccccc32)ncc1Br ZINC000623534984 565516718 /nfs/dbraw/zinc/51/67/18/565516718.db2.gz IAIMQEODCOUXBN-GFCCVEGCSA-N 1 0 381.295 2.813 20 0 GFADRO CN(CCC[NH+](C)C)C(=O)NCc1noc(-c2cccc(Br)c2)n1 ZINC000665931019 565517335 /nfs/dbraw/zinc/51/73/35/565517335.db2.gz ARCFGBQIIKFYRB-UHFFFAOYSA-N 1 0 396.289 2.592 20 0 GFADRO O[C@H]1CC[N@H+](Cc2ccc(CNCc3ncc(Br)cc3F)cc2)C1 ZINC000623564157 565519208 /nfs/dbraw/zinc/51/92/08/565519208.db2.gz UIXPMRNGINEENI-INIZCTEOSA-N 1 0 394.288 2.840 20 0 GFADRO Cc1cc(Br)c(F)c(C(=O)N2CCN(CC[NH+]3CCCC3)CC2)c1 ZINC000623576377 565519536 /nfs/dbraw/zinc/51/95/36/565519536.db2.gz UMFKXGBMYAPDNX-UHFFFAOYSA-N 1 0 398.320 2.750 20 0 GFADRO NC(=O)c1ccc(C[NH2+][C@@]2(CO)CCc3cc(Br)ccc3C2)cc1 ZINC000623643792 565522020 /nfs/dbraw/zinc/52/20/20/565522020.db2.gz BUMJDNCGDBCBTO-IBGZPJMESA-N 1 0 389.293 2.558 20 0 GFADRO OCCOC1(C[NH2+]Cc2ncc(Br)s2)CCC(F)(F)CC1 ZINC000623638148 565522109 /nfs/dbraw/zinc/52/21/09/565522109.db2.gz WLAHNKXLJDZWGD-UHFFFAOYSA-N 1 0 385.274 2.952 20 0 GFADRO C[NH+](C)CCNC(=O)c1ccc(NCc2ncc(Br)cc2F)cc1 ZINC000623632091 565522206 /nfs/dbraw/zinc/52/22/06/565522206.db2.gz KPCVXDBMTSDJEG-UHFFFAOYSA-N 1 0 395.276 2.887 20 0 GFADRO C[NH+]1CCC2(CC1)CN(c1ncnc3cc(F)c(Br)cc31)CCO2 ZINC000645385060 565523567 /nfs/dbraw/zinc/52/35/67/565523567.db2.gz DLBXCNHCHKZZCN-UHFFFAOYSA-N 1 0 395.276 2.832 20 0 GFADRO C[NH+]1CCC2(CC1)CN(c1ccnc3cc(Br)cnc31)CCO2 ZINC000645385782 565523877 /nfs/dbraw/zinc/52/38/77/565523877.db2.gz QVWQVSHJDGXJOY-UHFFFAOYSA-N 1 0 377.286 2.693 20 0 GFADRO O=S(=O)(CCO)c1ccc(C[NH2+][C@H]2CCc3cccc(Cl)c3C2)cc1 ZINC000666131712 565524473 /nfs/dbraw/zinc/52/44/73/565524473.db2.gz RKYWJLNSTDGHOL-INIZCTEOSA-N 1 0 379.909 2.753 20 0 GFADRO O=C(COC1CC[NH2+]CC1)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000645435799 565525775 /nfs/dbraw/zinc/52/57/75/565525775.db2.gz BOAJEGUAHMORFJ-UWVGGRQHSA-N 1 0 376.341 2.781 20 0 GFADRO CN1CCOC[C@H]1C[NH2+]Cc1ccc(Br)c(Br)c1 ZINC000623711690 565526486 /nfs/dbraw/zinc/52/64/86/565526486.db2.gz MLKYXRXORXERTI-LLVKDONJSA-N 1 0 378.108 2.632 20 0 GFADRO Brc1ccccc1C[NH2+]C[C@@H]1CN(Cc2ccncc2)CCO1 ZINC000623780253 565530600 /nfs/dbraw/zinc/53/06/00/565530600.db2.gz DZQNPJWMQXUCOQ-QGZVFWFLSA-N 1 0 376.298 2.835 20 0 GFADRO Brc1sccc1C[NH2+]C[C@@H]1CN(Cc2ccncc2)CCO1 ZINC000623783855 565530702 /nfs/dbraw/zinc/53/07/02/565530702.db2.gz WKVSXENDJCUTAP-OAHLLOKOSA-N 1 0 382.327 2.896 20 0 GFADRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(c2ncc(Br)cc2F)CC1 ZINC000623913555 565535320 /nfs/dbraw/zinc/53/53/20/565535320.db2.gz UAWQSZVMIJPCAW-ZIAGYGMSSA-N 1 0 385.325 2.978 20 0 GFADRO COC(=O)c1cc(Br)cc(NC(=O)N(C)CC2C[NH+](C)C2)c1C ZINC000596934050 565542971 /nfs/dbraw/zinc/54/29/71/565542971.db2.gz WLZJHQHUTHPOLI-UHFFFAOYSA-N 1 0 384.274 2.569 20 0 GFADRO C[C@H]([NH2+][C@H]1CCN(c2ccc3nncn3n2)C1)c1cccc(Br)c1 ZINC000624113540 565543401 /nfs/dbraw/zinc/54/34/01/565543401.db2.gz HXDGCUYHBUMTHE-WFASDCNBSA-N 1 0 387.285 2.816 20 0 GFADRO CC(C)CC[C@H](CO)[NH2+][C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000624111133 565543820 /nfs/dbraw/zinc/54/38/20/565543820.db2.gz OCPDMBFPGGKPNT-WCQYABFASA-N 1 0 393.347 2.544 20 0 GFADRO C[C@@H](C[S@](C)=O)NC(=O)Nc1nc2ccc(C[N@H+](C)C3CC3)cc2s1 ZINC000596997270 565544365 /nfs/dbraw/zinc/54/43/65/565544365.db2.gz CPQDNOIKCDCJQF-FTJNGKRUSA-N 1 0 380.539 2.779 20 0 GFADRO CN1CCOC[C@@H]1C[NH2+][C@@H](c1cccc(Br)c1)C1CCOCC1 ZINC000624176632 565546540 /nfs/dbraw/zinc/54/65/40/565546540.db2.gz PGJWVEBNDAWTFV-ZWKOTPCHSA-N 1 0 383.330 2.837 20 0 GFADRO COc1cc(C(=O)N2CCC(C[NH+]3CCOCC3)CC2)ccc1Br ZINC000624193778 565547305 /nfs/dbraw/zinc/54/73/05/565547305.db2.gz PUPYKVJPDIDLKU-UHFFFAOYSA-N 1 0 397.313 2.642 20 0 GFADRO Cn1cc(Br)c2ccc(S(=O)(=O)N[C@@H]3CC[NH2+]C34CCC4)cc21 ZINC000624379280 565553393 /nfs/dbraw/zinc/55/33/93/565553393.db2.gz HEJIHGQYELEMFK-OAHLLOKOSA-N 1 0 398.326 2.504 20 0 GFADRO Cn1cc(Br)c2ccc(S(=O)(=O)N[C@H]3CC[NH2+]C34CCC4)cc21 ZINC000624379279 565553735 /nfs/dbraw/zinc/55/37/35/565553735.db2.gz HEJIHGQYELEMFK-HNNXBMFYSA-N 1 0 398.326 2.504 20 0 GFADRO O=S(=O)(N[C@@H]1CC[NH2+]C12CCC2)c1cc(Cl)cc(Br)c1 ZINC000624379578 565553778 /nfs/dbraw/zinc/55/37/78/565553778.db2.gz XEXVZHCFYIMGLW-GFCCVEGCSA-N 1 0 379.707 2.665 20 0 GFADRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC[C@H]1C(F)(F)F ZINC000624390087 565554935 /nfs/dbraw/zinc/55/49/35/565554935.db2.gz UVQPATBCQNDSHD-BXKDBHETSA-N 1 0 390.349 2.853 20 0 GFADRO COc1cc(Br)c(S(=O)(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)cc1Cl ZINC000624405825 565555598 /nfs/dbraw/zinc/55/55/98/565555598.db2.gz QVMHPXAXBQDEOY-RKDXNWHRSA-N 1 0 397.722 2.530 20 0 GFADRO [NH3+]C[C@@H]1CN(S(=O)(=O)CCc2ccccc2Cl)CC[C@H]1C(F)(F)F ZINC000624392463 565556050 /nfs/dbraw/zinc/55/60/50/565556050.db2.gz RTSRZECXNVSCCK-CHWSQXEVSA-N 1 0 384.851 2.671 20 0 GFADRO O=C([C@H]1[C@@H]2c3cccc(Br)c3C[C@H]12)N1CC[NH+](CC2CC2)CC1 ZINC000624415625 565556501 /nfs/dbraw/zinc/55/65/01/565556501.db2.gz UKPPPKYNNRSGRJ-CGTJXYLNSA-N 1 0 375.310 2.889 20 0 GFADRO O=C1CCCN1C[C@@H]1CC[N@@H+](Cc2cccc(I)c2)C1 ZINC000597228408 565556600 /nfs/dbraw/zinc/55/66/00/565556600.db2.gz MPOILUBTQYYTJD-CQSZACIVSA-N 1 0 384.261 2.736 20 0 GFADRO COc1ccc(CCC(=O)N2CC[NH+](CC3CC3)CC2)c(Br)c1 ZINC000666800956 565558029 /nfs/dbraw/zinc/55/80/29/565558029.db2.gz ROEOVLUBQLRAJL-UHFFFAOYSA-N 1 0 381.314 2.945 20 0 GFADRO CN1C2(CCC2)COC[C@@]1(CO)CNc1ncc(Br)cc1Cl ZINC000624508454 565561370 /nfs/dbraw/zinc/56/13/70/565561370.db2.gz JEVUVSOOBYFEBH-HNNXBMFYSA-N 1 0 390.709 2.525 20 0 GFADRO O=C([C@@H]1C[C@H]1C1CC[NH2+]CC1)N1CCO[C@H](c2cccc(Br)c2)C1 ZINC000645821875 565565115 /nfs/dbraw/zinc/56/51/15/565565115.db2.gz JPWJJTQCSWISMY-KSZLIROESA-N 1 0 393.325 2.985 20 0 GFADRO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)Nc1cc(Cl)c(Cl)cc1F ZINC000667007804 565566238 /nfs/dbraw/zinc/56/62/38/565566238.db2.gz CZPCXWVENXHLIG-UHFFFAOYSA-N 1 0 379.263 2.616 20 0 GFADRO Cc1cc([C@H]2CCCN2C(=O)NC[C@@H]2COCCN2C)ccc1Br ZINC000624738749 565574093 /nfs/dbraw/zinc/57/40/93/565574093.db2.gz OMWYNARKEZBTEH-NVXWUHKLSA-N 1 0 396.329 2.935 20 0 GFADRO COCC[C@H](NC(=O)NC[C@@H]1COCCN1C)c1ccc(Cl)c(Cl)c1 ZINC000624731394 565574146 /nfs/dbraw/zinc/57/41/46/565574146.db2.gz JPIKHIXDXNICLS-CJNGLKHVSA-N 1 0 390.311 2.701 20 0 GFADRO COc1cc(CNC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c(Br)cc1O ZINC000645922632 565574463 /nfs/dbraw/zinc/57/44/63/565574463.db2.gz JEPZKWPFEBSVFR-OLZOCXBDSA-N 1 0 398.301 2.541 20 0 GFADRO C[N@@H+]1CC[C@@](O)(CNC(=O)N[C@H]2CCCCc3cc(Br)ccc32)C1 ZINC000667212982 565577255 /nfs/dbraw/zinc/57/72/55/565577255.db2.gz GXFJJESTSYQZTE-FUHWJXTLSA-N 1 0 396.329 2.582 20 0 GFADRO CN(CC1C[NH+](C)C1)C(=O)Nc1cnc(-c2ccc(Br)s2)nc1 ZINC000667285422 565580040 /nfs/dbraw/zinc/58/00/40/565580040.db2.gz YGAKCDXDAXWJBK-UHFFFAOYSA-N 1 0 396.314 2.993 20 0 GFADRO CCN(C(=O)c1ccc(F)cc1I)[C@@H]1CC[N@H+](C)C1 ZINC000597946293 565583604 /nfs/dbraw/zinc/58/36/04/565583604.db2.gz NLESMJYVXNHMRL-LLVKDONJSA-N 1 0 376.213 2.597 20 0 GFADRO CCN(C(=O)c1ccc(I)cc1F)[C@H]1CC[N@H+](C)C1 ZINC000597945976 565583880 /nfs/dbraw/zinc/58/38/80/565583880.db2.gz LMLUHXLQOZQWIM-NSHDSACASA-N 1 0 376.213 2.597 20 0 GFADRO CNC(=O)[C@@]1(C(F)(F)F)CC[N@H+](CCOc2cccc(Br)c2)C1 ZINC000646109702 565586979 /nfs/dbraw/zinc/58/69/79/565586979.db2.gz WYZYQVQNCULGTF-CQSZACIVSA-N 1 0 395.219 2.828 20 0 GFADRO C[C@@H](CCNC(=O)CCOc1cccc(I)c1)[NH+](C)C ZINC000597994523 565587306 /nfs/dbraw/zinc/58/73/06/565587306.db2.gz ZOJVLLCLDMPQJP-LBPRGKRZSA-N 1 0 390.265 2.517 20 0 GFADRO C[C@H](CCNC(=O)c1cc(I)c(F)cc1F)[NH+](C)C ZINC000597994535 565587437 /nfs/dbraw/zinc/58/74/37/565587437.db2.gz ZTDDRALZDVSEKQ-MRVPVSSYSA-N 1 0 382.192 2.639 20 0 GFADRO C[C@@H](CNC(=O)[C@@H]1C[C@H]1C1CC[NH2+]CC1)Oc1cccc(Br)c1 ZINC000646114805 565588122 /nfs/dbraw/zinc/58/81/22/565588122.db2.gz LOUBYEWUHHZWCV-AFAVFJNCSA-N 1 0 381.314 2.968 20 0 GFADRO O=C(Cc1csc(-c2ccc(Cl)s2)n1)N[C@H](CO)C[NH+]1CCCC1 ZINC000646223063 565592209 /nfs/dbraw/zinc/59/22/09/565592209.db2.gz AGCHCSDUBNJJBD-LBPRGKRZSA-N 1 0 385.942 2.640 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)Nc2ccnn2-c2ccc(Br)cn2)C1 ZINC000667517425 565592324 /nfs/dbraw/zinc/59/23/24/565592324.db2.gz IBZSBGIJTKYISW-NEPJUHHUSA-N 1 0 393.289 2.621 20 0 GFADRO [NH3+][C@H]1CCC[C@H](NC(=O)C(=O)Nc2ccccc2SCC(F)(F)F)C1 ZINC000667526188 565592469 /nfs/dbraw/zinc/59/24/69/565592469.db2.gz HOSZUIBTEHNPHK-QWRGUYRKSA-N 1 0 375.416 2.666 20 0 GFADRO CC(C)Sc1ccc(Cl)cc1NC(=O)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000667540544 565593798 /nfs/dbraw/zinc/59/37/98/565593798.db2.gz NTJKVXYPMHDJFU-IUODEOHRSA-N 1 0 381.929 2.989 20 0 GFADRO [NH3+]C1CCC(OCC(=O)Nc2ccn(-c3ccc(Cl)cc3Cl)n2)CC1 ZINC000646290800 565594309 /nfs/dbraw/zinc/59/43/09/565594309.db2.gz ILYLYXHENMFJHP-UHFFFAOYSA-N 1 0 383.279 3.404 20 0 GFADRO COc1ccc(Br)c(C(=O)N2CCC([N@@H+]3CCOC[C@@H]3C)CC2)c1 ZINC000646320188 565596949 /nfs/dbraw/zinc/59/69/49/565596949.db2.gz WYXARAXPKNLFNN-ZDUSSCGKSA-N 1 0 397.313 2.783 20 0 GFADRO O=C(Nc1cccc(Br)c1)C(=O)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000667637693 565598049 /nfs/dbraw/zinc/59/80/49/565598049.db2.gz BARYPBJRVFSDBU-KBPBESRZSA-N 1 0 394.313 2.626 20 0 GFADRO CC1CC[NH+](CC(=O)N2CC[C@@H](Oc3cncc(Br)c3)C2)CC1 ZINC000646340706 565598614 /nfs/dbraw/zinc/59/86/14/565598614.db2.gz OCVWJAJKYUZRRB-OAHLLOKOSA-N 1 0 382.302 2.556 20 0 GFADRO C[C@H](CC(=O)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1)n1cc(Br)cn1 ZINC000646379442 565600845 /nfs/dbraw/zinc/60/08/45/565600845.db2.gz QFQNAUXNLUKPMA-ILXRZTDVSA-N 1 0 383.334 2.835 20 0 GFADRO COc1ncc(C(=O)N2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc1Br ZINC000646385082 565601140 /nfs/dbraw/zinc/60/11/40/565601140.db2.gz WCCBINOJYZKKBC-STQMWFEESA-N 1 0 382.302 2.705 20 0 GFADRO CC(C)n1cc(Br)cc1C(=O)N1CCOC[C@H]1[C@H]1CCC[N@@H+]1C ZINC000646440926 565603524 /nfs/dbraw/zinc/60/35/24/565603524.db2.gz XPEPCRQYHBONJX-ZBFHGGJFSA-N 1 0 384.318 2.767 20 0 GFADRO [NH3+]Cc1cccc(NC(=O)NC[C@H](CO)Cc2cccc(Br)c2)c1 ZINC000667735044 565604040 /nfs/dbraw/zinc/60/40/40/565604040.db2.gz FYXFFSZJPJKGFV-OAHLLOKOSA-N 1 0 392.297 2.881 20 0 GFADRO O=C(NCc1ccc(F)cc1Br)Nc1cnc2c(c1)C[NH2+]CC2 ZINC000667793709 565606798 /nfs/dbraw/zinc/60/67/98/565606798.db2.gz KHFJZCBQNPWSSW-UHFFFAOYSA-N 1 0 379.233 2.951 20 0 GFADRO COCCN(CC[NH+](C)C)C(=O)Nc1cnc(-c2ccc(Cl)s2)nc1 ZINC000646543692 565607267 /nfs/dbraw/zinc/60/72/67/565607267.db2.gz DVGXOFBKFUSFQL-UHFFFAOYSA-N 1 0 383.905 2.900 20 0 GFADRO [NH3+]C1(CC(=O)N(CCn2ccnc2)Cc2ccccc2Br)CCC1 ZINC000646557593 565608479 /nfs/dbraw/zinc/60/84/79/565608479.db2.gz MQMUVXJWKBCDBL-UHFFFAOYSA-N 1 0 391.313 2.946 20 0 GFADRO O=C(NC[C@@H]1CCCC[NH2+]1)[C@@H](c1ccc(Br)cc1)N1CCCC1 ZINC000646652606 565612580 /nfs/dbraw/zinc/61/25/80/565612580.db2.gz UBTPKNHNWZUSSB-DLBZAZTESA-N 1 0 380.330 2.844 20 0 GFADRO Cc1cccc2sc(C(=O)N3CCC[C@@H](C(=O)NCC[NH3+])C3)c(Cl)c21 ZINC000646665950 565613504 /nfs/dbraw/zinc/61/35/04/565613504.db2.gz AXECGOQNYIGWCB-GFCCVEGCSA-N 1 0 379.913 2.790 20 0 GFADRO C[C@H](CNC(=O)Nc1cccc(Br)c1F)C[NH+]1CCN(C)CC1 ZINC000667923180 565613876 /nfs/dbraw/zinc/61/38/76/565613876.db2.gz GKZLFBKAVIDPTN-GFCCVEGCSA-N 1 0 387.297 2.593 20 0 GFADRO CCCN(C(=O)C(=O)Nc1cc(C)c(Br)c(C)c1)[C@@H]1CC[N@H+](C)C1 ZINC000646763751 565617863 /nfs/dbraw/zinc/61/78/63/565617863.db2.gz IADISXKCHFGPFQ-OAHLLOKOSA-N 1 0 396.329 2.947 20 0 GFADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)c1ccc(OC(F)(F)F)c(Cl)c1 ZINC000625331363 565620518 /nfs/dbraw/zinc/62/05/18/565620518.db2.gz FPHZPNHYUWLBEO-NSHDSACASA-N 1 0 379.810 2.604 20 0 GFADRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)c2cc(Br)cc3[nH]c(=O)[nH]c32)C1 ZINC000646903984 565625578 /nfs/dbraw/zinc/62/55/78/565625578.db2.gz JRFYMYMNEOYXAJ-LLVKDONJSA-N 1 0 395.301 2.739 20 0 GFADRO CCCN(C(=O)C(=O)N[C@H](C)c1ccc(Br)cc1)[C@@H]1CC[N@H+](C)C1 ZINC000646972589 565629995 /nfs/dbraw/zinc/62/99/95/565629995.db2.gz IQNSWFSWTQGROR-CZUORRHYSA-N 1 0 396.329 2.569 20 0 GFADRO Cc1nnc([C@H]2CC[N@@H+]([C@H]3CCc4cc(Br)ccc4NC3=O)C2)[nH]1 ZINC000625471734 565632162 /nfs/dbraw/zinc/63/21/62/565632162.db2.gz LUGZNQLXGVKWQA-WFASDCNBSA-N 1 0 390.285 2.618 20 0 GFADRO CC[C@@H]1CN(C(=O)c2ncc(Br)cc2Br)CC[C@H]1[NH3+] ZINC000647008526 565632251 /nfs/dbraw/zinc/63/22/51/565632251.db2.gz PYBIGABRNYZCCV-LDYMZIIASA-N 1 0 391.107 2.806 20 0 GFADRO CC[C@H]1CN(C(=O)c2cc(=O)[nH]c3ccc(Br)cc32)CC[C@H]1[NH3+] ZINC000647011909 565632362 /nfs/dbraw/zinc/63/23/62/565632362.db2.gz LWVSNKMMOAKVCM-IINYFYTJSA-N 1 0 378.270 2.902 20 0 GFADRO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)c1cn(-c2ccc(Br)cc2)nc1C ZINC000647035949 565633360 /nfs/dbraw/zinc/63/33/60/565633360.db2.gz KJCUYDUQPDJLAM-ZFWWWQNUSA-N 1 0 395.276 2.715 20 0 GFADRO O=C1Nc2ccc(Br)cc2CC[C@@H]1N1CCO[C@]2(CCSC2)C1 ZINC000625506684 565634549 /nfs/dbraw/zinc/63/45/49/565634549.db2.gz OGYQTHAXBJDUQY-DOTOQJQBSA-N 1 0 397.338 2.910 20 0 GFADRO [NH3+][C@@H]1CCCO[C@H]1C1CCN(C(=O)c2ccc(Br)c(O)c2)CC1 ZINC000647088299 565636382 /nfs/dbraw/zinc/63/63/82/565636382.db2.gz WLTBDZNTTJKGIL-ZBFHGGJFSA-N 1 0 383.286 2.513 20 0 GFADRO [NH3+][C@@H]1CN(C(=O)c2c[nH]c(=O)c(Br)c2)CC[C@H]1c1ccc(F)cc1 ZINC000647093561 565636586 /nfs/dbraw/zinc/63/65/86/565636586.db2.gz GJRAJUCUFSCCRW-DZGCQCFKSA-N 1 0 394.244 2.646 20 0 GFADRO C[C@@H](C(=O)Nc1cccc(Br)c1)N1CCC([NH+]2CCOCC2)CC1 ZINC000625552015 565638995 /nfs/dbraw/zinc/63/89/95/565638995.db2.gz LUHOOHORENRBCA-AWEZNQCLSA-N 1 0 396.329 2.573 20 0 GFADRO COc1ncncc1C[NH2+]CCC(=O)Nc1ccc(Br)cc1C ZINC000647178304 565643894 /nfs/dbraw/zinc/64/38/94/565643894.db2.gz LHIRQXKBWYLKHT-UHFFFAOYSA-N 1 0 379.258 2.675 20 0 GFADRO COc1ccccc1[C@H]([NH3+])CNS(=O)(=O)C1CCC(C(F)(F)F)CC1 ZINC000647187770 565643979 /nfs/dbraw/zinc/64/39/79/565643979.db2.gz WMDIOTCFUNZFAJ-ORHYLEIMSA-N 1 0 380.432 2.736 20 0 GFADRO CCN(C(=O)C(=O)N[C@H](C)c1cc(F)c(Cl)cc1Cl)[C@H]1CC[N@H+](C)C1 ZINC000668370533 565644587 /nfs/dbraw/zinc/64/45/87/565644587.db2.gz ZIOSFGIDTSKLQW-MNOVXSKESA-N 1 0 390.286 2.862 20 0 GFADRO CCOc1ccc(Cl)cc1CC[NH2+]Cc1ccc(S(N)(=O)=O)cc1F ZINC000647196810 565646283 /nfs/dbraw/zinc/64/62/83/565646283.db2.gz NMTDBMGUDADSSX-UHFFFAOYSA-N 1 0 386.876 2.858 20 0 GFADRO C[C@H]1CN(S(=O)(=O)Cc2ccc(Br)cc2Cl)CC[C@@H]1[NH3+] ZINC000647222590 565647262 /nfs/dbraw/zinc/64/72/62/565647262.db2.gz HVZJKSGXJAECAD-ZANVPECISA-N 1 0 381.723 2.601 20 0 GFADRO CCOc1cc(C[N@@H+]2CC[C@H](Cn3ccnn3)C2)cc(Br)c1O ZINC000668452510 565647457 /nfs/dbraw/zinc/64/74/57/565647457.db2.gz JKMAHXAYAWUCAT-LBPRGKRZSA-N 1 0 381.274 2.667 20 0 GFADRO O=S(=O)(Cc1ccc(Br)cc1Cl)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000647236986 565648016 /nfs/dbraw/zinc/64/80/16/565648016.db2.gz LRJJNZCMAWLSRT-CYBMUJFWSA-N 1 0 393.734 2.759 20 0 GFADRO Cc1cc(Br)ccc1S(=O)(=O)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647238953 565648200 /nfs/dbraw/zinc/64/82/00/565648200.db2.gz ZQWKTEVEVWTTCU-DZGCQCFKSA-N 1 0 387.343 2.910 20 0 GFADRO [NH3+][C@@H]1CCC[C@H](NS(=O)(=O)Cc2ccc(Br)cc2Cl)C1 ZINC000647259611 565649400 /nfs/dbraw/zinc/64/94/00/565649400.db2.gz FQMYOSLOXTZJNP-NEPJUHHUSA-N 1 0 381.723 2.792 20 0 GFADRO C[C@H]1C[C@@H](C[NH3+])CN1S(=O)(=O)Cc1ccc(Br)cc1Cl ZINC000647265510 565650356 /nfs/dbraw/zinc/65/03/56/565650356.db2.gz PNEUUWWUQZTKST-UWVGGRQHSA-N 1 0 381.723 2.601 20 0 GFADRO O=S(=O)(c1csc(-c2ccc(Cl)cc2)n1)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000647263495 565650628 /nfs/dbraw/zinc/65/06/28/565650628.db2.gz KAGIZWPVDSIXGW-BXUZGUMPSA-N 1 0 383.926 2.836 20 0 GFADRO CC[C@H]1CN(S(=O)(=O)c2cccc(Cl)c2Br)CC[C@@H]1[NH3+] ZINC000647269703 565651877 /nfs/dbraw/zinc/65/18/77/565651877.db2.gz YJKXMRUIXRGXNU-ONGXEEELSA-N 1 0 381.723 2.850 20 0 GFADRO CCOc1c(Br)cc(CN2CC[NH+]([C@H]3CCOC3)CC2)cc1OC ZINC000668537100 565652699 /nfs/dbraw/zinc/65/26/99/565652699.db2.gz IVXHEZPICHGDFW-HNNXBMFYSA-N 1 0 399.329 2.763 20 0 GFADRO CC(C)(C)OC(=O)c1ccc(C[NH2+][C@@H]2CCCC[C@H]2NS(C)(=O)=O)s1 ZINC000598995060 565653058 /nfs/dbraw/zinc/65/30/58/565653058.db2.gz OCRLMNKAIKPMSN-ZIAGYGMSSA-N 1 0 388.555 2.653 20 0 GFADRO O=S(=O)(Cc1ccc(Br)cc1Cl)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000647304750 565655555 /nfs/dbraw/zinc/65/55/55/565655555.db2.gz CXKPZDNOXOHXIW-QMTHXVAHSA-N 1 0 393.734 2.616 20 0 GFADRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1CC[C@@H]1c1ccc(Br)cc1 ZINC000668624719 565658436 /nfs/dbraw/zinc/65/84/36/565658436.db2.gz AQQBJXFXXKQMLM-CZUORRHYSA-N 1 0 396.329 2.569 20 0 GFADRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1CC[C@H]1c1ccc(Br)cc1 ZINC000668624716 565658518 /nfs/dbraw/zinc/65/85/18/565658518.db2.gz AQQBJXFXXKQMLM-CJNGLKHVSA-N 1 0 396.329 2.569 20 0 GFADRO C[NH+](C)CCOC1CCN(C(=O)Cc2ccc(Br)cc2F)CC1 ZINC000668662582 565659614 /nfs/dbraw/zinc/65/96/14/565659614.db2.gz PRFFXUYRZGWNSF-UHFFFAOYSA-N 1 0 387.293 2.700 20 0 GFADRO C[C@H](C[C@H](C)[NH3+])NC(=O)Nc1ccnn1Cc1ccc(Br)cc1 ZINC000647475434 565660407 /nfs/dbraw/zinc/66/04/07/565660407.db2.gz ONKOTYGOGNNBDB-NWDGAFQWSA-N 1 0 380.290 2.941 20 0 GFADRO C[C@H](CNC(=O)C(=O)NCc1ccc(Cl)c(Cl)c1)[NH+]1CCC(C)CC1 ZINC000668686683 565660397 /nfs/dbraw/zinc/66/03/97/565660397.db2.gz UVKUWAYJYPYBSU-CYBMUJFWSA-N 1 0 386.323 2.846 20 0 GFADRO CC(C)(C)c1nnc(C[NH2+][C@@]2(CO)CCc3cc(Br)ccc3C2)[nH]1 ZINC000625797194 565660497 /nfs/dbraw/zinc/66/04/97/565660497.db2.gz SBPRQSMJOAUZSJ-SFHVURJKSA-N 1 0 393.329 2.874 20 0 GFADRO COc1cc(C[NH2+][C@@]2(CO)CCc3cc(Br)ccc3C2)sn1 ZINC000625797190 565660736 /nfs/dbraw/zinc/66/07/36/565660736.db2.gz RYBZJJHLWUVGRH-INIZCTEOSA-N 1 0 383.311 2.924 20 0 GFADRO C[C@H](CNC(=O)c1c(Cl)cccc1Br)C[NH+]1CCN(C)CC1 ZINC000668684568 565661085 /nfs/dbraw/zinc/66/10/85/565661085.db2.gz NAHYWCFPSVKIBA-GFCCVEGCSA-N 1 0 388.737 2.716 20 0 GFADRO CN(CCOCC[NH3+])C(=O)Nc1ccc(Br)cc1C(F)(F)F ZINC000625850606 565662648 /nfs/dbraw/zinc/66/26/48/565662648.db2.gz ZYAWLGQYMJWEDV-UHFFFAOYSA-N 1 0 384.196 2.907 20 0 GFADRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)Nc1cc(Br)ccc1N1CCOCC1 ZINC000625848938 565662845 /nfs/dbraw/zinc/66/28/45/565662845.db2.gz QLUDOCSOSQKSBA-UONOGXRCSA-N 1 0 397.317 2.548 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)Nc2cncc(Br)c2)CC[C@H]1C(F)(F)F ZINC000625872467 565663493 /nfs/dbraw/zinc/66/34/93/565663493.db2.gz DMVLQRNAEVRBCM-LDYMZIIASA-N 1 0 381.196 2.835 20 0 GFADRO CCN(C(=O)C(=O)N[C@H](C)Cc1ccc(Cl)cc1Cl)[C@H]1CC[N@H+](C)C1 ZINC000668721427 565663475 /nfs/dbraw/zinc/66/34/75/565663475.db2.gz LJIJRYWKTLHSBW-DOMZBBRYSA-N 1 0 386.323 2.593 20 0 GFADRO CCCSc1nsc(NC(=O)N2CCC(CO[C@@H]3CC[NH2+]C3)CC2)n1 ZINC000625868396 565663552 /nfs/dbraw/zinc/66/35/52/565663552.db2.gz ASDDIGMIIWMZDR-CYBMUJFWSA-N 1 0 385.559 2.663 20 0 GFADRO CCOc1c(Br)cc(CN2C[C@@H](F)C[C@H]2C[NH2+]C)cc1OC ZINC000647540068 565663731 /nfs/dbraw/zinc/66/37/31/565663731.db2.gz UQDUQZKWJLWTBO-STQMWFEESA-N 1 0 375.282 2.988 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)c(C)c1C(=O)N1CCC[C@H]([NH3+])C1 ZINC000647603282 565665178 /nfs/dbraw/zinc/66/51/78/565665178.db2.gz MDHOTMFGWYFNMJ-AWEZNQCLSA-N 1 0 377.286 2.815 20 0 GFADRO CCOc1cc(CN2CCC([N@@H+]3CC[C@H](O)C3)CC2)cc(Br)c1O ZINC000668738418 565665257 /nfs/dbraw/zinc/66/52/57/565665257.db2.gz CKIQLFUFFVMQDI-HNNXBMFYSA-N 1 0 399.329 2.584 20 0 GFADRO Cc1cc(Br)cc(C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)c1C ZINC000668803405 565667787 /nfs/dbraw/zinc/66/77/87/565667787.db2.gz NGCHLOJIWHCIHQ-QGZVFWFLSA-N 1 0 394.357 2.918 20 0 GFADRO Cn1cc(CC[N@@H+]2CCC[C@H]2c2ccc(I)cc2)nn1 ZINC000599302538 565667977 /nfs/dbraw/zinc/66/79/77/565667977.db2.gz GBBSHNFQZVCDTM-HNNXBMFYSA-N 1 0 382.249 2.799 20 0 GFADRO O=c1ccc([C@@H]2OCC[C@H]2[NH2+]Cc2cn3cc(Br)ccc3n2)c[nH]1 ZINC000625990069 565667942 /nfs/dbraw/zinc/66/79/42/565667942.db2.gz SCIHVILFYAUXDA-PBHICJAKSA-N 1 0 389.253 2.817 20 0 GFADRO CN(C)C[C@H]([NH2+]C[C@@H](O)COC1CCOCC1)c1ccc(Cl)c(Cl)c1 ZINC000625983330 565668151 /nfs/dbraw/zinc/66/81/51/565668151.db2.gz LSWBMFJFXJHFIT-KDOFPFPSSA-N 1 0 391.339 2.742 20 0 GFADRO Cc1oc(S(C)(=O)=O)cc1C(=O)NC[C@@H](c1ccc(Cl)cc1)N(C)C ZINC000625967106 565668531 /nfs/dbraw/zinc/66/85/31/565668531.db2.gz AQBOHQWJMIJQFK-HNNXBMFYSA-N 1 0 384.885 2.678 20 0 GFADRO COc1ccc([C@H](C)NC(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)cc1Br ZINC000668844093 565669212 /nfs/dbraw/zinc/66/92/12/565669212.db2.gz CJSCYPNHYVSPDE-YWPYICTPSA-N 1 0 382.302 2.912 20 0 GFADRO C[N@H+](CC(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000626038692 565671064 /nfs/dbraw/zinc/67/10/64/565671064.db2.gz YCSPFJKOCUVKBH-ZENOOKHLSA-N 1 0 384.307 2.853 20 0 GFADRO COc1cc(Br)c(CN2CC[NH+](CCCF)CC2)cc1OC ZINC000626072771 565674451 /nfs/dbraw/zinc/67/44/51/565674451.db2.gz LILCPKFBSUOTQP-UHFFFAOYSA-N 1 0 375.282 2.944 20 0 GFADRO O=S(=O)(CCN(C1CC1)C1CC[NH2+]CC1)c1cc(Cl)ccc1Cl ZINC000647814510 565677871 /nfs/dbraw/zinc/67/78/71/565677871.db2.gz RERHUITUAOMILR-UHFFFAOYSA-N 1 0 377.337 2.984 20 0 GFADRO CC(=O)NC[C@H]1CCCC[N@@H+]1C[C@@H](O)COc1ccc(Cl)cc1Cl ZINC000626154476 565678960 /nfs/dbraw/zinc/67/89/60/565678960.db2.gz PPRAKTNZIBYKFY-HUUCEWRRSA-N 1 0 375.296 2.724 20 0 GFADRO C[C@H](CNC(=O)[C@@H]1CCc2nc[nH]c2C1)Oc1cccc(Br)c1 ZINC000669314295 565684393 /nfs/dbraw/zinc/68/43/93/565684393.db2.gz GUWLZAINEFUBHH-VXGBXAGGSA-N 1 0 378.270 2.861 20 0 GFADRO CC[C@H]1CN(Cc2nc(Cc3cccc(Br)c3)no2)CC[C@@H]1[NH3+] ZINC000647936419 565684853 /nfs/dbraw/zinc/68/48/53/565684853.db2.gz DGXWVWWJHPMDFV-ZFWWWQNUSA-N 1 0 379.302 2.982 20 0 GFADRO COC1(C(=O)NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)CC[NH2+]CC1 ZINC000647975516 565686423 /nfs/dbraw/zinc/68/64/23/565686423.db2.gz BGAXITIWXVDKNX-UWVGGRQHSA-N 1 0 376.341 2.781 20 0 GFADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C[C@@H]1CNc2ccnn2C1 ZINC000648035094 565688323 /nfs/dbraw/zinc/68/83/23/565688323.db2.gz RGEPSSMJDJPKFG-INIZCTEOSA-N 1 0 392.345 2.751 20 0 GFADRO COc1ncncc1CN(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000648035212 565688615 /nfs/dbraw/zinc/68/86/15/565688615.db2.gz WWHJRZKWYKBRAK-UHFFFAOYSA-N 1 0 379.302 2.812 20 0 GFADRO COC(=O)c1ccoc1C[NH2+][C@]1(CO)CCc2cc(Br)ccc2C1 ZINC000599572442 565689220 /nfs/dbraw/zinc/68/92/20/565689220.db2.gz BEHAPLMNDPOBDA-GOSISDBHSA-N 1 0 394.265 2.838 20 0 GFADRO C[C@H](C(=O)Nc1cccc(I)c1)[N@H+](C)CC1(C)COC1 ZINC000599571986 565689542 /nfs/dbraw/zinc/68/95/42/565689542.db2.gz ZOBAQRITEOHUDV-LLVKDONJSA-N 1 0 388.249 2.587 20 0 GFADRO COC(=O)[C@]1(OC)CC[N@H+](CCCc2ccc(Br)cc2OC)C1 ZINC000599564818 565689768 /nfs/dbraw/zinc/68/97/68/565689768.db2.gz MVGYNTHTIDKIHN-KRWDZBQOSA-N 1 0 386.286 2.654 20 0 GFADRO C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)Nc1ccccc1I)C2 ZINC000599596707 565691329 /nfs/dbraw/zinc/69/13/29/565691329.db2.gz PJMPQDGGKODPRF-GASCZTMLSA-N 1 0 385.249 2.755 20 0 GFADRO C[C@H](CNC(=O)N1CC[C@H]2CC[NH2+][C@H]2C1)Oc1ccc(Br)cc1 ZINC000669506305 565691573 /nfs/dbraw/zinc/69/15/73/565691573.db2.gz MQGVGADISKONJT-IOASZLSFSA-N 1 0 382.302 2.610 20 0 GFADRO COc1cc(Br)ccc1CCCNC(=O)NC[C@H]1CCCC[NH2+]1 ZINC000669557519 565692127 /nfs/dbraw/zinc/69/21/27/565692127.db2.gz SLEOHJJCXZCGEC-OAHLLOKOSA-N 1 0 384.318 2.832 20 0 GFADRO CCOC(=O)c1c(NC(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)sc2c1CCSC2 ZINC000599603903 565692339 /nfs/dbraw/zinc/69/23/39/565692339.db2.gz XCHAMTFPNIRCAD-MNOVXSKESA-N 1 0 383.539 2.976 20 0 GFADRO COC(=O)c1c(Br)ccc(NC(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)c1C ZINC000599607221 565692945 /nfs/dbraw/zinc/69/29/45/565692945.db2.gz UIAKVFWUGOPAMI-KOLCDFICSA-N 1 0 384.274 2.806 20 0 GFADRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)Nc1cc(F)c(Br)cc1C(=O)OC ZINC000599604693 565692958 /nfs/dbraw/zinc/69/29/58/565692958.db2.gz RKFIDPAGKJUEHY-NWDGAFQWSA-N 1 0 388.237 2.637 20 0 GFADRO CCn1c(CNC(=O)N2CCC[C@H](C[NH3+])C2)nc2cc(Br)ccc21 ZINC000669569850 565693089 /nfs/dbraw/zinc/69/30/89/565693089.db2.gz GPAGNANANRSDRI-GFCCVEGCSA-N 1 0 394.317 2.699 20 0 GFADRO O=C(NCc1cnn(-c2ccc(Br)cc2)c1)NC[C@H]1CCCC[NH2+]1 ZINC000669571659 565693299 /nfs/dbraw/zinc/69/32/99/565693299.db2.gz BKJHWPCTYJQBTB-OAHLLOKOSA-N 1 0 392.301 2.576 20 0 GFADRO C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000648182222 565693286 /nfs/dbraw/zinc/69/32/86/565693286.db2.gz CTRVPBHPOSKAOZ-NEPJUHHUSA-N 1 0 384.307 2.903 20 0 GFADRO COc1cc(Br)ccc1CNC(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000669565635 565693461 /nfs/dbraw/zinc/69/34/61/565693461.db2.gz MEEYGDBGRDMWFS-CORIIIEPSA-N 1 0 382.302 2.645 20 0 GFADRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)NCc1cc(Br)cc2c1OCC2 ZINC000669561187 565693467 /nfs/dbraw/zinc/69/34/67/565693467.db2.gz VKVIRDBHRJMAKU-WFASDCNBSA-N 1 0 382.302 2.701 20 0 GFADRO COc1cc(C(=O)N[C@@H]2CC[NH2+]C23CCCC3)cc(OC)c1Br ZINC000648208268 565693718 /nfs/dbraw/zinc/69/37/18/565693718.db2.gz ZNZOZEURNWBXJN-CQSZACIVSA-N 1 0 383.286 2.871 20 0 GFADRO O=C(N[C@@H]1CSc2ccc(Br)cc21)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000669572175 565693692 /nfs/dbraw/zinc/69/36/92/565693692.db2.gz HHLVXJWQUARREG-ZLKJLUDKSA-N 1 0 382.327 2.989 20 0 GFADRO C[C@@H]([NH3+])CNC(=O)NC[C@H](c1ccc(Cl)cc1)N(C)CCC(F)(F)F ZINC000669582575 565694247 /nfs/dbraw/zinc/69/42/47/565694247.db2.gz AIHYAYGKIZVJFQ-BXUZGUMPSA-N 1 0 380.842 2.912 20 0 GFADRO C[C@H](NC(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1)c1ncc(Br)cn1 ZINC000669591098 565694316 /nfs/dbraw/zinc/69/43/16/565694316.db2.gz IWSHQJZBNVJCSK-MELADBBJSA-N 1 0 396.333 2.721 20 0 GFADRO C[C@@H](CC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)n1cc(Br)cn1 ZINC000648221002 565694257 /nfs/dbraw/zinc/69/42/57/565694257.db2.gz TTXIUDWYFGKTKK-WMLDXEAASA-N 1 0 391.313 2.987 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CN(C(=O)NCC2(c3ccccc3Br)CCC2)CCO1 ZINC000669590243 565694745 /nfs/dbraw/zinc/69/47/45/565694745.db2.gz NXCQDBGWPYEMIE-BBRMVZONSA-N 1 0 396.329 2.628 20 0 GFADRO COC(=O)CCN1CCN(C(=O)c2sc3ncccc3c2Cl)C[C@@H]1C ZINC000599729124 565698680 /nfs/dbraw/zinc/69/86/80/565698680.db2.gz WFCJOWPMVQHGCP-NSHDSACASA-N 1 0 381.885 2.659 20 0 GFADRO Cn1nc2cc(Br)ccc2c1C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000648329261 565703712 /nfs/dbraw/zinc/70/37/12/565703712.db2.gz FZXKLGLSAVIGCW-MLGOLLRUSA-N 1 0 391.313 2.892 20 0 GFADRO CC[N@@H+]1C[C@H](C)N(C(=O)c2c3ccc(Br)cc3nn2C)C[C@@H]1C ZINC000648341002 565704834 /nfs/dbraw/zinc/70/48/34/565704834.db2.gz FLGTZQLDBIDWEO-RYUDHWBXSA-N 1 0 379.302 2.891 20 0 GFADRO CC[N@H+](CCO)CCNC(=O)Nc1ccc(SC)c(Br)c1 ZINC000626646362 565704924 /nfs/dbraw/zinc/70/49/24/565704924.db2.gz PDHNTBZBKZLARV-UHFFFAOYSA-N 1 0 376.320 2.607 20 0 GFADRO O=C(NCc1ccsc1Br)N1CCN(c2cc[nH+]cc2)CC1 ZINC000669881995 565705901 /nfs/dbraw/zinc/70/59/01/565705901.db2.gz NOESHWLYFQUTOF-UHFFFAOYSA-N 1 0 381.299 2.937 20 0 GFADRO C[NH+](C)[C@@H]1[C@H]2CN(C(=O)c3ccc(I)cc3Cl)C[C@H]21 ZINC000599999764 565709933 /nfs/dbraw/zinc/70/99/33/565709933.db2.gz HRCRCANAHJSHMX-PJXYFTJBSA-N 1 0 390.652 2.577 20 0 GFADRO O=C(Nc1ccc(C(F)(F)F)cc1Cl)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000626851570 565713053 /nfs/dbraw/zinc/71/30/53/565713053.db2.gz YDIMXRQNDQHVSY-GFCCVEGCSA-N 1 0 375.778 2.698 20 0 GFADRO Cc1cc(NC(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)ccc1Cl ZINC000626860136 565713506 /nfs/dbraw/zinc/71/35/06/565713506.db2.gz QGKUSTYISLRXDH-ZYHUDNBSSA-N 1 0 377.794 2.573 20 0 GFADRO CCn1c(-c2cc(Br)cn2C)nnc1N1CC[N@H+](C)[C@H](C(C)C)C1 ZINC000670062522 565713852 /nfs/dbraw/zinc/71/38/52/565713852.db2.gz JAICKLFXBBUZTO-HNNXBMFYSA-N 1 0 395.349 2.842 20 0 GFADRO CC(C)c1cc(Br)ccc1NC(=O)C(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000626890957 565713974 /nfs/dbraw/zinc/71/39/74/565713974.db2.gz RNLRDKLOXNDPHO-WCQYABFASA-N 1 0 382.302 2.768 20 0 GFADRO CC(C)(C)N1CC[C@@H]([NH2+]CCCS(N)(=O)=O)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000670091573 565715135 /nfs/dbraw/zinc/71/51/35/565715135.db2.gz PTRIDNLNIQPZCH-CVEARBPZSA-N 1 0 391.940 2.661 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)NCCOc2cccc(Cl)c2)CC[C@H]1C(F)(F)F ZINC000626941194 565716105 /nfs/dbraw/zinc/71/61/05/565716105.db2.gz YWKGATUJGXQTIT-SMDDNHRTSA-N 1 0 379.810 2.888 20 0 GFADRO C[NH2+]CCOCCN(C)C(=O)NCC1(c2cccc(Br)c2)CCC1 ZINC000626946027 565716156 /nfs/dbraw/zinc/71/61/56/565716156.db2.gz LLPJSWSVKFEZST-UHFFFAOYSA-N 1 0 398.345 2.748 20 0 GFADRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@@H](C)c1cc2c(cc1Br)OCCO2 ZINC000626943592 565716317 /nfs/dbraw/zinc/71/63/17/565716317.db2.gz HAYZJRZSAPWQGK-LEWSCRJBSA-N 1 0 398.301 2.721 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)NCCOc2ccccc2Cl)CC[C@H]1C(F)(F)F ZINC000627004684 565719131 /nfs/dbraw/zinc/71/91/31/565719131.db2.gz QIKIQGZVWBMJHB-NWDGAFQWSA-N 1 0 379.810 2.888 20 0 GFADRO CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000627008347 565719204 /nfs/dbraw/zinc/71/92/04/565719204.db2.gz GJDLITXGRQAGIY-KNPMLCFXSA-N 1 0 384.318 2.965 20 0 GFADRO COCC[NH2+]CCNC(=O)N1CCC[C@H]1c1ccc(Br)cc1C ZINC000627083645 565721827 /nfs/dbraw/zinc/72/18/27/565721827.db2.gz UQGRNUQZRYMIRG-INIZCTEOSA-N 1 0 384.318 2.840 20 0 GFADRO Cc1c(C(=O)NC2CC([NH+](C)C)C2)cnn1-c1ccc(Br)cc1 ZINC000670401643 565722102 /nfs/dbraw/zinc/72/21/02/565722102.db2.gz PXDKCSZZRSOYGT-UHFFFAOYSA-N 1 0 377.286 2.766 20 0 GFADRO [NH3+]C1(CNC(=O)NCC/C=C\c2ccc(Br)cc2)CCOCC1 ZINC000627123832 565722391 /nfs/dbraw/zinc/72/23/91/565722391.db2.gz ZNZRCSRCQDSWJJ-IWQZZHSRSA-N 1 0 382.302 2.660 20 0 GFADRO Cc1c2cc(Br)ccc2oc1C(=O)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000670409200 565722437 /nfs/dbraw/zinc/72/24/37/565722437.db2.gz HGGVDMVHRASXLR-AWEZNQCLSA-N 1 0 392.297 2.623 20 0 GFADRO C[NH2+]CCOCCN(C)C(=O)N[C@@H](C)c1cc(F)c(Br)cc1F ZINC000627125900 565722496 /nfs/dbraw/zinc/72/24/96/565722496.db2.gz YRFGNVVPXDTMCE-JTQLQIEISA-N 1 0 394.260 2.666 20 0 GFADRO O=C(N[C@H]1CC[NH2+]C12CCC2)N1CCOC[C@H]1c1ccc(Br)cc1 ZINC000627127070 565722989 /nfs/dbraw/zinc/72/29/89/565722989.db2.gz RUBPWXUYMLZGGY-HOTGVXAUSA-N 1 0 394.313 2.817 20 0 GFADRO C[N@@H+]1CCCC[C@H](CNC(=O)Cc2cccc(I)c2)C1 ZINC000600311347 565723798 /nfs/dbraw/zinc/72/37/98/565723798.db2.gz AWAFRPVHCMZXRM-CQSZACIVSA-N 1 0 386.277 2.682 20 0 GFADRO [NH3+]C1(CNC(=O)N2CCC[C@H]2c2ccccc2Br)CCOCC1 ZINC000627152550 565723811 /nfs/dbraw/zinc/72/38/11/565723811.db2.gz YTKPIYPWSPRHRT-HNNXBMFYSA-N 1 0 382.302 2.804 20 0 GFADRO CC(C)[C@H]1C[NH2+]CCN1C(=O)NCc1ccc(Br)c(F)c1F ZINC000627181670 565724596 /nfs/dbraw/zinc/72/45/96/565724596.db2.gz VYPOEWXDXZNORK-GFCCVEGCSA-N 1 0 376.245 2.867 20 0 GFADRO CC[C@H]1Cc2c(Br)cccc2CN1C(=O)NCCOCC[NH2+]C ZINC000627173255 565724899 /nfs/dbraw/zinc/72/48/99/565724899.db2.gz RTAMCYNHLBYMGI-AWEZNQCLSA-N 1 0 384.318 2.531 20 0 GFADRO C[NH2+]CCOCCNC(=O)N1CCC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000627174871 565724980 /nfs/dbraw/zinc/72/49/80/565724980.db2.gz MHAFPNABFKVIJZ-CQSZACIVSA-N 1 0 390.311 2.782 20 0 GFADRO Cc1cc(Br)ccc1[C@H]1CCCN1C(=O)NCCOCCC[NH3+] ZINC000627220732 565727641 /nfs/dbraw/zinc/72/76/41/565727641.db2.gz XATYJVICPBIDTP-MRXNPFEDSA-N 1 0 384.318 2.969 20 0 GFADRO C[N@@H+]1CCCN(CCCNC(=O)[C@H]2CCc3cc(Br)ccc32)CC1 ZINC000648783145 565728185 /nfs/dbraw/zinc/72/81/85/565728185.db2.gz RJMVUVZPQLBNCX-SFHVURJKSA-N 1 0 394.357 2.623 20 0 GFADRO O=C(CCCCc1ccc(Br)cc1)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000627256194 565728996 /nfs/dbraw/zinc/72/89/96/565728996.db2.gz IAWDQUGSKQEITI-MSOLQXFVSA-N 1 0 395.341 2.829 20 0 GFADRO O=C(CCCOc1ccc(Cl)cc1Cl)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000627251345 565729099 /nfs/dbraw/zinc/72/90/99/565729099.db2.gz HAKREERQSRAZLB-GJZGRUSLSA-N 1 0 387.307 2.820 20 0 GFADRO CN(C)c1cc(NCc2ccc(C(=O)NC3CC3)cc2)[nH+]cc1Br ZINC000648802595 565729179 /nfs/dbraw/zinc/72/91/79/565729179.db2.gz HKPRGGUBQCQJNC-UHFFFAOYSA-N 1 0 389.297 3.414 20 0 GFADRO Cc1cc(Br)cc(Cl)c1C(=O)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000627262755 565729623 /nfs/dbraw/zinc/72/96/23/565729623.db2.gz UAOVUUCYCXMWJG-CHWSQXEVSA-N 1 0 387.705 2.692 20 0 GFADRO C[C@H](CC(=O)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1)c1ccc(F)c(Br)c1 ZINC000627268211 565729640 /nfs/dbraw/zinc/72/96/40/565729640.db2.gz YYHOEITWFKOMMT-BPLDGKMQSA-N 1 0 399.304 2.749 20 0 GFADRO O=C(c1cc(F)c(Br)c(Cl)c1)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000627268085 565729942 /nfs/dbraw/zinc/72/99/42/565729942.db2.gz XGWKLMIDZSKIQJ-QWRGUYRKSA-N 1 0 391.668 2.523 20 0 GFADRO CC(C)[N@@H+]1CCC[C@@H](NC(=O)c2c3ccc(Br)cc3nn2C)C1 ZINC000648863406 565735667 /nfs/dbraw/zinc/73/56/67/565735667.db2.gz AXRUMKYSCVAPTP-CYBMUJFWSA-N 1 0 379.302 2.938 20 0 GFADRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N(Cc1ccc(Cl)c(Cl)c1)C(C)C ZINC000627460859 565737393 /nfs/dbraw/zinc/73/73/93/565737393.db2.gz XSSWASZBSCUELP-JKSUJKDBSA-N 1 0 386.323 2.987 20 0 GFADRO C[C@@H]1[C@H](C(=O)NCc2c(F)c(F)c(Br)c(F)c2F)CC[N@@H+]1C ZINC000648934984 565740934 /nfs/dbraw/zinc/74/09/34/565740934.db2.gz YEMUSPWONXTAPV-RNFRBKRXSA-N 1 0 383.183 2.962 20 0 GFADRO Cc1cc(C)c(C(=O)N[C@H]2CCC[N@H+](CCCO)C2)c(C)c1Br ZINC000627574395 565741969 /nfs/dbraw/zinc/74/19/69/565741969.db2.gz DQMWSKZGCKMHQF-HNNXBMFYSA-N 1 0 383.330 2.951 20 0 GFADRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000649071680 565746473 /nfs/dbraw/zinc/74/64/73/565746473.db2.gz PBJRLFHZJGTEDE-JTQLQIEISA-N 1 0 377.794 2.551 20 0 GFADRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)c1c[nH]cc1-c1ccc(Cl)s1 ZINC000649076984 565746596 /nfs/dbraw/zinc/74/65/96/565746596.db2.gz IBCQLMDZDDLSLR-LLVKDONJSA-N 1 0 380.901 2.589 20 0 GFADRO COC1CC[NH+](CCNC(=O)CCc2cccc(F)c2Br)CC1 ZINC000649087574 565747582 /nfs/dbraw/zinc/74/75/82/565747582.db2.gz ZRWYITBHFQXMRH-UHFFFAOYSA-N 1 0 387.293 2.748 20 0 GFADRO O=C(Cc1ccc(F)c(Br)c1)N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000627739128 565749231 /nfs/dbraw/zinc/74/92/31/565749231.db2.gz ZWDGUYZQPVHUBH-UHFFFAOYSA-N 1 0 399.304 2.844 20 0 GFADRO C[NH+]1CCC2(CC1)CN(C(=O)C1(c3ccc(Br)cc3)CC1)CCO2 ZINC000649134647 565750180 /nfs/dbraw/zinc/75/01/80/565750180.db2.gz CZZJQRBEKJNPAR-UHFFFAOYSA-N 1 0 393.325 2.804 20 0 GFADRO O=C(NC[C@@H]1CC[N@@H+]1C1CCCCC1)C(=O)Nc1ccc(Br)cc1 ZINC000627754718 565750807 /nfs/dbraw/zinc/75/08/07/565750807.db2.gz GPHPBHZBGWCRGT-INIZCTEOSA-N 1 0 394.313 2.911 20 0 GFADRO Brc1ccccc1N1CC[C@@H]([NH2+]C[C@H]2CNc3ccnn3C2)C1 ZINC000600815369 565751600 /nfs/dbraw/zinc/75/16/00/565751600.db2.gz XJNOZQHYAFIYNF-UONOGXRCSA-N 1 0 376.302 2.556 20 0 GFADRO COc1cc(CNC(=O)c2ccc(C[NH+](C)C)nc2)c(Br)cc1O ZINC000649195304 565752533 /nfs/dbraw/zinc/75/25/33/565752533.db2.gz FLMFOBAUVIKZHD-UHFFFAOYSA-N 1 0 394.269 2.550 20 0 GFADRO CC[N@H+](CCNC(=O)N[C@H]1CCN(c2ccccc2Br)C1)C1CC1 ZINC000600871755 565754248 /nfs/dbraw/zinc/75/42/48/565754248.db2.gz BHFIOSMTKUBQGN-AWEZNQCLSA-N 1 0 395.345 2.811 20 0 GFADRO CC(C)[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)N[C@@H]1CC[NH2+]C12CCCC2 ZINC000649267424 565757212 /nfs/dbraw/zinc/75/72/12/565757212.db2.gz VWUAQYZCUVJMEP-UKRRQHHQSA-N 1 0 383.945 2.947 20 0 GFADRO O=C(N1CCC([NH+]2CCOCC2)CC1)C1(c2ccccc2Br)CC1 ZINC000628123194 565775283 /nfs/dbraw/zinc/77/52/83/565775283.db2.gz FNGAJGCOXBYDKE-UHFFFAOYSA-N 1 0 393.325 2.804 20 0 GFADRO CC(C)(CO)[NH+]1CCN(Cc2c[nH]nc2-c2ccc(Br)s2)CC1 ZINC000628178403 565777183 /nfs/dbraw/zinc/77/71/83/565777183.db2.gz OYUDTYDPPYMIRP-UHFFFAOYSA-N 1 0 399.358 2.789 20 0 GFADRO C[NH+](C)CCC[C@@H]1CN(C(=O)c2ccc(Br)c(F)c2F)CCO1 ZINC000628159149 565777348 /nfs/dbraw/zinc/77/73/48/565777348.db2.gz ITXDZZVDHJPIJB-LLVKDONJSA-N 1 0 391.256 2.910 20 0 GFADRO COc1cc(C(=O)N2CCO[C@H](CCC[NH+](C)C)C2)ccc1Br ZINC000628159222 565777585 /nfs/dbraw/zinc/77/75/85/565777585.db2.gz KFUJYUOACQNAEL-CQSZACIVSA-N 1 0 385.302 2.641 20 0 GFADRO CC[NH+]1CCC(CNC(=O)COc2ccc(Br)cc2C(C)=O)CC1 ZINC000671667300 565778238 /nfs/dbraw/zinc/77/82/38/565778238.db2.gz KXJMUBDFJKQCKZ-UHFFFAOYSA-N 1 0 397.313 2.879 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S(=O)(=O)CC[NH2+]C1(C2CCC2)CC1 ZINC000649811586 565779429 /nfs/dbraw/zinc/77/94/29/565779429.db2.gz XIWQXVHUQSOHRZ-UHFFFAOYSA-N 1 0 385.551 2.566 20 0 GFADRO CN(C)S(=O)(=O)[C@H]1CCC[N@H+](CCCc2ccc(C(F)(F)F)cc2)C1 ZINC000671699398 565781465 /nfs/dbraw/zinc/78/14/65/565781465.db2.gz DOQVYAMORXBIJJ-INIZCTEOSA-N 1 0 378.460 2.994 20 0 GFADRO CS(=O)(=O)N[C@H]1CCCC[C@H]1C[NH2+]CCc1cccc(C(F)(F)F)c1 ZINC000628273117 565781725 /nfs/dbraw/zinc/78/17/25/565781725.db2.gz JDVZWEMYWKQJFQ-HOCLYGCPSA-N 1 0 378.460 2.946 20 0 GFADRO C[C@H](C[NH+]1CCOCC1)C(=O)NCC/C=C/c1ccc(Br)cc1 ZINC000628335340 565784498 /nfs/dbraw/zinc/78/44/98/565784498.db2.gz JOHDUXNRCUIOKN-TXTHVTMNSA-N 1 0 381.314 2.937 20 0 GFADRO Cc1ccc(S(=O)(=O)NCC[NH2+][C@@H](C)c2ccc3[nH]c(=O)oc3c2)s1 ZINC000671753752 565784926 /nfs/dbraw/zinc/78/49/26/565784926.db2.gz LBKJDWSIRLYVBN-NSHDSACASA-N 1 0 381.479 2.532 20 0 GFADRO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)Nc1ccc(I)cc1Cl ZINC000601568808 565792339 /nfs/dbraw/zinc/79/23/39/565792339.db2.gz VKBHPGSOTWVRSQ-VXNVDRBHSA-N 1 0 379.629 2.898 20 0 GFADRO CC[C@H](CO)[NH+]1CCN(c2ccc(-c3ccc(Br)s3)nn2)CC1 ZINC000672225098 565799400 /nfs/dbraw/zinc/79/94/00/565799400.db2.gz QPEQKOVBNPNFID-GFCCVEGCSA-N 1 0 397.342 2.861 20 0 GFADRO CC(C)(C)NC(=O)C[NH+]1CCC(CNc2ncccc2Br)CC1 ZINC000672232383 565800020 /nfs/dbraw/zinc/80/00/20/565800020.db2.gz FYZFYEAIJMPQOG-UHFFFAOYSA-N 1 0 383.334 2.883 20 0 GFADRO OC[C@@H](c1ccc(Cl)cc1)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000601774816 565803312 /nfs/dbraw/zinc/80/33/12/565803312.db2.gz UTTKAISOIIZYCA-INIZCTEOSA-N 1 0 380.838 2.960 20 0 GFADRO CCCN(CCC)S(=O)(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000601768708 565803369 /nfs/dbraw/zinc/80/33/69/565803369.db2.gz AZGBOQUDIRLPKC-UHFFFAOYSA-N 1 0 377.620 2.695 20 0 GFADRO C[N@@H+]1CCCC[C@@H](CNC(=O)C[C@H]2Sc3ccc(Cl)cc3NC2=O)C1 ZINC000628741932 565805010 /nfs/dbraw/zinc/80/50/10/565805010.db2.gz QDVFMHJFMTUNIQ-BLLLJJGKSA-N 1 0 381.929 2.991 20 0 GFADRO CC1(C)C[C@@H]([NH2+]CC(=O)Nc2ccc(I)cc2)CCO1 ZINC000601964448 565811071 /nfs/dbraw/zinc/81/10/71/565811071.db2.gz QGVRCMUXDMGRPE-ZDUSSCGKSA-N 1 0 388.249 2.777 20 0 GFADRO CN(C)S(=O)(=O)N1CCC[C@@H]([NH2+][C@@H]2CCc3c2ccc(Cl)c3Cl)C1 ZINC000672616369 565812632 /nfs/dbraw/zinc/81/26/32/565812632.db2.gz BAPCBBSKVPEFPA-IAQYHMDHSA-N 1 0 392.352 2.841 20 0 GFADRO Cn1nccc1COCC(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000628968592 565817647 /nfs/dbraw/zinc/81/76/47/565817647.db2.gz IGMIVQMITJDBAD-MRXNPFEDSA-N 1 0 385.295 2.663 20 0 GFADRO CC1(C)CN(C(=O)N[C@H]2COc3c2ccc(Cl)c3Cl)CC[N@@H+]1CCO ZINC000672903523 565821240 /nfs/dbraw/zinc/82/12/40/565821240.db2.gz PAWHLLDCVIIMKP-ZDUSSCGKSA-N 1 0 388.295 2.525 20 0 GFADRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cnc3ncc(Br)cc3c2)C1 ZINC000672896252 565821331 /nfs/dbraw/zinc/82/13/31/565821331.db2.gz VGXOVONBPUPEAG-MLGOLLRUSA-N 1 0 389.297 2.949 20 0 GFADRO CC1(C)CN(C(=O)NCC(F)(F)c2ccc(Cl)cc2)CC[N@@H+]1CCO ZINC000673160061 565828559 /nfs/dbraw/zinc/82/85/59/565828559.db2.gz JWIKIRUNYPNTBZ-UHFFFAOYSA-N 1 0 375.847 2.530 20 0 GFADRO O=C(NCC[N@H+]1CC[C@@H](O)C1)c1csc(-c2ccc(Cl)cc2Cl)n1 ZINC000629176516 565828651 /nfs/dbraw/zinc/82/86/51/565828651.db2.gz XMEGTJCWNXTJAR-LLVKDONJSA-N 1 0 386.304 2.913 20 0 GFADRO Cc1cc(Br)sc1S(=O)(=O)NCCC1CC[NH+](C)CC1 ZINC000651543029 565870041 /nfs/dbraw/zinc/87/00/41/565870041.db2.gz CQHHTDVHPANLSZ-UHFFFAOYSA-N 1 0 381.361 2.829 20 0 GFADRO CSC1CCN(C(=O)NC[C@@H](c2cccs2)N2CCN(C)CC2)CC1 ZINC000602225694 565831189 /nfs/dbraw/zinc/83/11/89/565831189.db2.gz RFKXVCXUXCWYPW-INIZCTEOSA-N 1 0 382.599 2.574 20 0 GFADRO C[NH+]1CC2(C1)CCN(C(=O)c1nn(-c3ccc(F)cc3)cc1Br)C2 ZINC000673428150 565834493 /nfs/dbraw/zinc/83/44/93/565834493.db2.gz DSYIWWZPWSHMHC-UHFFFAOYSA-N 1 0 393.260 2.552 20 0 GFADRO CC[C@H](Cc1ccccc1Br)C(=O)N[C@@H](CO)C[NH+]1CCCC1 ZINC000673530441 565839082 /nfs/dbraw/zinc/83/90/82/565839082.db2.gz HYUSXQFCCURPDR-GDBMZVCRSA-N 1 0 383.330 2.591 20 0 GFADRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)N(C)CCn1cc(Br)cn1 ZINC000673550702 565840167 /nfs/dbraw/zinc/84/01/67/565840167.db2.gz WPQABCOYCRUDIK-HNNXBMFYSA-N 1 0 386.338 2.552 20 0 GFADRO CC[N@H+](CCCNC(=O)NCCC(C)(C)S(C)(=O)=O)C1CCCCC1 ZINC000651156586 565848852 /nfs/dbraw/zinc/84/88/52/565848852.db2.gz UEASIEBJLSMBNV-UHFFFAOYSA-N 1 0 375.579 2.544 20 0 GFADRO Cc1cc(C(=O)NC[C@@H]([NH3+])C2CC2)c(I)cc1Cl ZINC000602485238 565851362 /nfs/dbraw/zinc/85/13/62/565851362.db2.gz QQCFDCYASSLSFH-GFCCVEGCSA-N 1 0 378.641 2.720 20 0 GFADRO C[C@H]([NH2+]C[C@H](O)COc1ccc(I)cc1)[C@H]1CC1(F)F ZINC000602534281 565853628 /nfs/dbraw/zinc/85/36/28/565853628.db2.gz HWXXNHUAXRLDTK-XHVZSJERSA-N 1 0 397.203 2.664 20 0 GFADRO CC(=O)N1CCC(C[NH2+]Cc2ccc(I)s2)CC1 ZINC000602538858 565853986 /nfs/dbraw/zinc/85/39/86/565853986.db2.gz YTGSSBNLDXVLOG-UHFFFAOYSA-N 1 0 378.279 2.701 20 0 GFADRO O=C(N[C@H]1CC[NH2+]C12CCC2)c1cc(Cl)ccc1I ZINC000602534378 565854080 /nfs/dbraw/zinc/85/40/80/565854080.db2.gz UKGIFHMSTRLDAM-LBPRGKRZSA-N 1 0 390.652 2.959 20 0 GFADRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)CCC[S@@](=O)c1ccc(Br)cc1 ZINC000602545094 565854188 /nfs/dbraw/zinc/85/41/88/565854188.db2.gz SHYSPJWAYPFEEB-SMASLZHESA-N 1 0 387.343 2.594 20 0 GFADRO CC[S@](=O)[C@@H]1CCC[C@H]([NH2+]Cc2cnn3cc(Br)cnc23)C1 ZINC000602563104 565855336 /nfs/dbraw/zinc/85/53/36/565855336.db2.gz FHIQZTNGAJOZBF-VVYDWRJNSA-N 1 0 385.331 2.661 20 0 GFADRO [NH3+]C[C@H]1CC[C@H](NC(=O)c2cc(F)ccc2I)CC1 ZINC000602600212 565856391 /nfs/dbraw/zinc/85/63/91/565856391.db2.gz UKELMSVBVUAHEA-HOMQSWHASA-N 1 0 376.213 2.678 20 0 GFADRO C[NH+](C)C[C@@H](c1ccc(Cl)c(Cl)c1)N1C(=O)[C@@H]2CSCCN2C1=O ZINC000629487991 565856824 /nfs/dbraw/zinc/85/68/24/565856824.db2.gz RJDGYDYNNDGOCQ-KBPBESRZSA-N 1 0 388.320 2.976 20 0 GFADRO CN([C@H](C[NH3+])C(F)(F)F)[C@H]1CCc2cc(Br)ccc2NC1=O ZINC000629548650 565857573 /nfs/dbraw/zinc/85/75/73/565857573.db2.gz QYQVHTDPGQHBJO-NWDGAFQWSA-N 1 0 380.208 2.524 20 0 GFADRO [NH3+]C[C@@H]1CN(CC(=O)Nc2ccccc2Br)CC[C@@H]1C(F)(F)F ZINC000629569267 565859215 /nfs/dbraw/zinc/85/92/15/565859215.db2.gz WRILHRGKIFZXDV-MNOVXSKESA-N 1 0 394.235 2.847 20 0 GFADRO CN(Cc1ccc(Cl)s1)C(=O)CN1CCC[C@@H](C[NH3+])[C@H]1C(F)(F)F ZINC000629582925 565860378 /nfs/dbraw/zinc/86/03/78/565860378.db2.gz JTGGDTJIZSDXDK-HZMBPMFUSA-N 1 0 383.867 2.962 20 0 GFADRO CCc1nnc(NC(=O)[C@H](C)[C@H](C)[NH2+]Cc2cc(C(=O)OC)cs2)s1 ZINC000602656345 565861065 /nfs/dbraw/zinc/86/10/65/565861065.db2.gz SRFORZJWVSHOJZ-ZJUUUORDSA-N 1 0 382.511 2.702 20 0 GFADRO O=C(CCc1ccc(Br)cc1F)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000674131916 565861107 /nfs/dbraw/zinc/86/11/07/565861107.db2.gz JPRQAJAILYNXII-AWEZNQCLSA-N 1 0 399.304 2.702 20 0 GFADRO O[C@H](C[NH2+]C[C@@H]1Cc2ccccc2CO1)COc1cccc(Br)c1 ZINC000629587825 565861636 /nfs/dbraw/zinc/86/16/36/565861636.db2.gz VHZYZKNPFBTBQC-MJGOQNOKSA-N 1 0 392.293 2.920 20 0 GFADRO O[C@@H]1CC[N@@H+](C2CN(c3ccnc4c(Cl)cc(Br)cc34)C2)C1 ZINC000651450979 565863457 /nfs/dbraw/zinc/86/34/57/565863457.db2.gz IMIOZFRLFKREEQ-GFCCVEGCSA-N 1 0 382.689 2.906 20 0 GFADRO O[C@H](C[NH2+]C[C@@H]1CCN1C1CCCC1)COc1ccc(Br)cc1 ZINC000629604190 565863815 /nfs/dbraw/zinc/86/38/15/565863815.db2.gz STKRNJOBMQPIJB-DLBZAZTESA-N 1 0 383.330 2.795 20 0 GFADRO CC(C)(C[NH2+]C[C@H](O)COc1c(Cl)cccc1Cl)C(=O)N1CCCC1 ZINC000629604013 565864089 /nfs/dbraw/zinc/86/40/89/565864089.db2.gz WEHRNSIOZUNAMP-ZDUSSCGKSA-N 1 0 389.323 2.971 20 0 GFADRO CC(C)(C[NH2+]C[C@H](O)COc1ccc(Cl)c(Cl)c1)C(=O)N1CCCC1 ZINC000629604346 565864249 /nfs/dbraw/zinc/86/42/49/565864249.db2.gz ZLJBKNIPVHOYEE-ZDUSSCGKSA-N 1 0 389.323 2.971 20 0 GFADRO COc1ccc(C[C@@H](CO)C[NH2+][C@@H](C)c2c[nH]nc2C)cc1Br ZINC000651460493 565864409 /nfs/dbraw/zinc/86/44/09/565864409.db2.gz MAWOKSJPIWKARI-SMDDNHRTSA-N 1 0 382.302 2.991 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cc(=O)c2cc(Br)ccc2[nH]1 ZINC000602748319 565867041 /nfs/dbraw/zinc/86/70/41/565867041.db2.gz STRKDAKIETXQQI-CHWSQXEVSA-N 1 0 390.281 2.647 20 0 GFADRO Cc1cc(Br)sc1S(=O)(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000651515532 565868083 /nfs/dbraw/zinc/86/80/83/565868083.db2.gz KESZIFTWMMIRHR-SNVBAGLBSA-N 1 0 379.345 2.582 20 0 GFADRO CCOCCC[N@@H+]1CC[C@@H](NS(=O)(=O)c2ccc(Cl)c(F)c2)[C@H](C)C1 ZINC000651562120 565872691 /nfs/dbraw/zinc/87/26/91/565872691.db2.gz DZHXRYAYAWYPJZ-CXAGYDPISA-N 1 0 392.924 2.894 20 0 GFADRO Cc1onc(-c2cccc(Cl)c2Cl)c1C(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000629916602 565875085 /nfs/dbraw/zinc/87/50/85/565875085.db2.gz WANZFVOHWFOGCA-NSHDSACASA-N 1 0 384.263 2.753 20 0 GFADRO Cc1cc(Br)cn2cc(CCNC(=O)C[N@@H+](C)C3CCC3)nc12 ZINC000629981132 565877595 /nfs/dbraw/zinc/87/75/95/565877595.db2.gz VYNNJNJKHYVFHV-UHFFFAOYSA-N 1 0 379.302 2.548 20 0 GFADRO C[C@@H](C(=O)NC[C@H](c1ccsc1)[NH+](C)C)c1ccc(S(C)(=O)=O)cc1 ZINC000674667057 565880350 /nfs/dbraw/zinc/88/03/50/565880350.db2.gz YNJSEPWQBNDAPM-CXAGYDPISA-N 1 0 380.535 2.674 20 0 GFADRO CC[NH+](CC)CCOCCNS(=O)(=O)Cc1cc(Cl)sc1Cl ZINC000651640548 565882044 /nfs/dbraw/zinc/88/20/44/565882044.db2.gz QWAMNUCKBGHKDH-UHFFFAOYSA-N 1 0 389.370 2.833 20 0 GFADRO O[C@H](COC1CCOCC1)C[NH+]1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 ZINC000674845649 565885251 /nfs/dbraw/zinc/88/52/51/565885251.db2.gz YYPKWPQIIKKBQT-UTUOFQBUSA-N 1 0 379.341 2.606 20 0 GFADRO CCC(=O)N1CCC([NH2+]CCCNC(=O)c2cccc(Br)c2)CC1 ZINC000674909861 565886745 /nfs/dbraw/zinc/88/67/45/565886745.db2.gz WFXOISBJDPLZRM-UHFFFAOYSA-N 1 0 396.329 2.560 20 0 GFADRO [NH3+]CCSCc1cn(CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)nn1 ZINC000603164473 565886870 /nfs/dbraw/zinc/88/68/70/565886870.db2.gz SSYLFWMDHQPTAN-UHFFFAOYSA-N 1 0 393.822 2.781 20 0 GFADRO CCOC(=O)c1nc(Cn2cc([C@@H]([NH3+])c3ccc(Cl)cc3)nn2)cs1 ZINC000603200352 565889648 /nfs/dbraw/zinc/88/96/48/565889648.db2.gz HMUJWOQNAOEVIM-AWEZNQCLSA-N 1 0 377.857 2.661 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)CCn2cc(Br)cn2)C[N@@H+]1Cc1ccccc1 ZINC000675134831 565892092 /nfs/dbraw/zinc/89/20/92/565892092.db2.gz QFBDLLWSCAFRDM-PBHICJAKSA-N 1 0 391.313 2.815 20 0 GFADRO C[C@H]1C[C@H](NC(=O)CCn2cc(Br)cn2)C[N@@H+]1Cc1ccccc1 ZINC000675134834 565892758 /nfs/dbraw/zinc/89/27/58/565892758.db2.gz QFBDLLWSCAFRDM-YOEHRIQHSA-N 1 0 391.313 2.815 20 0 GFADRO C[C@H](NC(=O)C[C@H]1Sc2ccc(Cl)cc2NC1=O)C1CC[NH+](C)CC1 ZINC000603324740 565898024 /nfs/dbraw/zinc/89/80/24/565898024.db2.gz BHPQZAIZNQYNFE-MEDUHNTESA-N 1 0 381.929 2.989 20 0 GFADRO Cc1ccc(NC(=O)C(=O)NCCC[N@@H+](C)CC(C)C)c(Br)c1 ZINC000651904690 565902966 /nfs/dbraw/zinc/90/29/66/565902966.db2.gz ILEIZPDQQJQVAF-UHFFFAOYSA-N 1 0 384.318 2.790 20 0 GFADRO O=c1c(Cl)c(NC[C@H]2COCC[NH2+]2)cnn1-c1ccc(Cl)c(Cl)c1 ZINC000630531881 565908131 /nfs/dbraw/zinc/90/81/31/565908131.db2.gz DCZOKXLMQFDFFV-VIFPVBQESA-N 1 0 389.670 2.593 20 0 GFADRO CCN1C[C@@H](C[NH2+]Cc2c(Br)cncc2Br)CC1=O ZINC000651999993 565909721 /nfs/dbraw/zinc/90/97/21/565909721.db2.gz XNTCGRUNTLCRIR-SECBINFHSA-N 1 0 391.107 2.565 20 0 GFADRO C[C@H]1C[C@H]([NH2+]Cc2ccc(Br)c(F)c2)C(=O)N1c1cnn(C)c1 ZINC000675641416 565911368 /nfs/dbraw/zinc/91/13/68/565911368.db2.gz JCXYKGAEHHRUMJ-BONVTDFDSA-N 1 0 381.249 2.605 20 0 GFADRO CCc1nc2c(s1)[C@@H]([NH2+]Cc1ccc(CS(=O)(=O)NC)cc1)CCC2 ZINC000675764257 565915184 /nfs/dbraw/zinc/91/51/84/565915184.db2.gz HUYHYKOODRSUDO-HNNXBMFYSA-N 1 0 379.551 2.922 20 0 GFADRO C[N@@H+]1CCCN(CCCNC(=O)[C@@H]2C[C@H]2c2cccc(Br)c2)CC1 ZINC000603812548 565915570 /nfs/dbraw/zinc/91/55/70/565915570.db2.gz VEWDPBBDMMOEAX-ZWKOTPCHSA-N 1 0 394.357 2.696 20 0 GFADRO C[C@@H](C(=O)N(C)CC(=O)Nc1ccc(Br)cn1)[NH+]1CCCCCC1 ZINC000603832017 565916730 /nfs/dbraw/zinc/91/67/30/565916730.db2.gz QDKQEBQLGCCBGL-ZDUSSCGKSA-N 1 0 397.317 2.506 20 0 GFADRO C[NH+](C)C[C@@H]1CCN(C(=O)CSc2nnc(-c3ccc(Cl)cc3)o2)C1 ZINC000603815353 565917111 /nfs/dbraw/zinc/91/71/11/565917111.db2.gz UDWXKAXZJRJFIL-LBPRGKRZSA-N 1 0 380.901 2.892 20 0 GFADRO C[N@@H+]1CCCN(CCCNC(=O)CCOc2ccc(Cl)c(Cl)c2)CC1 ZINC000603899156 565918281 /nfs/dbraw/zinc/91/82/81/565918281.db2.gz VMRXTZXMDNRWAH-UHFFFAOYSA-N 1 0 388.339 2.906 20 0 GFADRO CO[C@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)NCCC1(C[NH3+])CC1 ZINC000652176050 565918718 /nfs/dbraw/zinc/91/87/18/565918718.db2.gz UECPXRWRESQBLA-DOMZBBRYSA-N 1 0 384.318 2.953 20 0 GFADRO O=C(NCCC1CC[NH2+]CC1)N[C@H](CCO)c1ccccc1Br ZINC000652318259 565921644 /nfs/dbraw/zinc/92/16/44/565921644.db2.gz RMHZJTAAUVZIGJ-MRXNPFEDSA-N 1 0 384.318 2.562 20 0 GFADRO CC[NH+](CC)CC1CCN(C(=O)COc2ccc(Br)cn2)CC1 ZINC000630851270 565922858 /nfs/dbraw/zinc/92/28/58/565922858.db2.gz ZEPVDRSGWSITBJ-UHFFFAOYSA-N 1 0 384.318 2.803 20 0 GFADRO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCN(S(=O)(=O)c3cc(Cl)ccc3Cl)C2)C1 ZINC000652375126 565925500 /nfs/dbraw/zinc/92/55/00/565925500.db2.gz JGTQWIWMVUIYCT-NJZAAPMLSA-N 1 0 393.336 2.900 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(S(=O)(=O)Cc3cc(Cl)ccc3F)C2)C1 ZINC000652374563 565925527 /nfs/dbraw/zinc/92/55/27/565925527.db2.gz VYWSSVAFMQHGTB-MJEQTWJJSA-N 1 0 390.908 2.527 20 0 GFADRO Cn1nnc2cc(C[NH+]3CCC(n4cc(Br)cn4)CC3)ccc21 ZINC000676081670 565926047 /nfs/dbraw/zinc/92/60/47/565926047.db2.gz CTFZZXXAEIUJCC-UHFFFAOYSA-N 1 0 375.274 2.764 20 0 GFADRO C[C@H]1CCCN(S(=O)(=O)c2cc(F)ccc2Br)[C@H]1CC[NH3+] ZINC000652377514 565926473 /nfs/dbraw/zinc/92/64/73/565926473.db2.gz JAPAAVMTRKOFQO-GWCFXTLKSA-N 1 0 379.295 2.726 20 0 GFADRO C[NH2+]Cc1ccccc1CNS(=O)(=O)c1cc(Br)cc(OC)c1 ZINC000652381643 565926558 /nfs/dbraw/zinc/92/65/58/565926558.db2.gz BATNORRQDAUTOB-UHFFFAOYSA-N 1 0 399.310 2.656 20 0 GFADRO C[NH+](C)CCn1cc(C(=O)N[C@@H]2CCc3c2cccc3Br)cn1 ZINC000630910722 565926777 /nfs/dbraw/zinc/92/67/77/565926777.db2.gz JORYHQQKCNBVBT-MRXNPFEDSA-N 1 0 377.286 2.625 20 0 GFADRO C[NH+](C)CCc1ccc(NC(=O)COc2ccc(Br)cn2)cc1 ZINC000630913473 565927327 /nfs/dbraw/zinc/92/73/27/565927327.db2.gz RBRAJGMTIKYMPZ-UHFFFAOYSA-N 1 0 378.270 2.966 20 0 GFADRO Cc1cc(S(=O)(=O)N2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)c(Cl)cc1F ZINC000652384410 565927624 /nfs/dbraw/zinc/92/76/24/565927624.db2.gz ZFHUDEYFPQTQRQ-DAXOMENPSA-N 1 0 390.908 2.837 20 0 GFADRO [NH3+]CC1(CCNC(=O)C(=O)Nc2ccccc2SCC(F)(F)F)CC1 ZINC000652635181 565935970 /nfs/dbraw/zinc/93/59/70/565935970.db2.gz LAVCTVDGYXYXFU-UHFFFAOYSA-N 1 0 375.416 2.525 20 0 GFADRO C[C@H](NC(=O)C(=O)NCCC1(C[NH3+])CC1)c1cc(F)c(Cl)cc1Cl ZINC000652666375 565937204 /nfs/dbraw/zinc/93/72/04/565937204.db2.gz FOEWXPODMDHPAD-VIFPVBQESA-N 1 0 376.259 2.555 20 0 GFADRO NS(=O)(=O)c1cc(C[NH2+][C@H](c2ccccc2)[C@@H]2CCOC2)ccc1Cl ZINC000631106364 565941797 /nfs/dbraw/zinc/94/17/97/565941797.db2.gz SBVOKTDRWDSVGR-CRAIPNDOSA-N 1 0 380.897 2.855 20 0 GFADRO O=C(c1cc(Br)c2nccn2c1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000631139334 565943878 /nfs/dbraw/zinc/94/38/78/565943878.db2.gz MWMMSRGMHKKBNT-CQSZACIVSA-N 1 0 377.286 2.797 20 0 GFADRO C[C@H](CNC(=O)c1nn(-c2ccc(F)cc2)cc1Br)[NH+]1CCCC1 ZINC000605126664 565946541 /nfs/dbraw/zinc/94/65/41/565946541.db2.gz KVUWWSBPPZKGPZ-GFCCVEGCSA-N 1 0 395.276 2.988 20 0 GFADRO CCC[C@@H](CCO)[NH2+]Cc1cc(Br)ccc1O[C@@H](C)C(=O)NC ZINC000631200977 565948076 /nfs/dbraw/zinc/94/80/76/565948076.db2.gz YTMWLDCUKZGAJM-WFASDCNBSA-N 1 0 387.318 2.603 20 0 GFADRO CN(C(=O)c1ccc2cncc(Br)c2n1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000631237424 565950163 /nfs/dbraw/zinc/95/01/63/565950163.db2.gz GIWBPOPXDSNTFH-CYBMUJFWSA-N 1 0 375.270 2.701 20 0 GFADRO CC[C@H](C[NH+]1CCCC1)NC(=O)CCNC(=O)c1ccc(Br)cc1 ZINC000605372053 565951617 /nfs/dbraw/zinc/95/16/17/565951617.db2.gz KCVBUAHDZIDSFI-MRXNPFEDSA-N 1 0 396.329 2.560 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)[C@@H]1CCC[NH2+]CC1 ZINC000653082493 565953923 /nfs/dbraw/zinc/95/39/23/565953923.db2.gz XCKCMNJUZMLYRT-CYBMUJFWSA-N 1 0 382.302 2.592 20 0 GFADRO O=C([C@@H]1CC[C@H](C2CC2)[NH2+]1)N1CCO[C@H](c2cccc(Br)c2)C1 ZINC000653080589 565954186 /nfs/dbraw/zinc/95/41/86/565954186.db2.gz LTTNABJBJCQFAA-IKGGRYGDSA-N 1 0 379.298 2.880 20 0 GFADRO Brc1ccc2nc(C[N@@H+]3CCC[C@@H](Cn4ccnn4)C3)cn2c1 ZINC000676901477 565954441 /nfs/dbraw/zinc/95/44/41/565954441.db2.gz ZRJUHBRXVIEGFL-CYBMUJFWSA-N 1 0 375.274 2.601 20 0 GFADRO O=C(NCCOc1ncc(C(F)(F)F)cc1Cl)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653122131 565955635 /nfs/dbraw/zinc/95/56/35/565955635.db2.gz NGAJHXLMMIAWOR-STQMWFEESA-N 1 0 377.794 2.779 20 0 GFADRO O=C([C@H]1CC[C@H](C2CC2)[NH2+]1)N1CCN(Cc2ccc(Br)cc2)CC1 ZINC000653168187 565957201 /nfs/dbraw/zinc/95/72/01/565957201.db2.gz SGFPWBGDCJXUJA-QZTJIDSGSA-N 1 0 392.341 2.624 20 0 GFADRO [NH3+][C@@H]1CCC[C@H]1CC(=O)N1CCN(Cc2cc(Br)ccc2F)CC1 ZINC000653161755 565957441 /nfs/dbraw/zinc/95/74/41/565957441.db2.gz ZHRIJMMVFDURJA-SUMWQHHRSA-N 1 0 398.320 2.750 20 0 GFADRO CC[NH+](CC)[C@@H]1CCN(C(=O)c2ccc3cncc(Br)c3n2)C1 ZINC000631557945 565962761 /nfs/dbraw/zinc/96/27/61/565962761.db2.gz SMZYJBOAUPMMDF-CYBMUJFWSA-N 1 0 377.286 2.949 20 0 GFADRO O=C(CCN1CC[NH+](C[C@@H]2CCCO2)CC1)Nc1cccc(Br)c1 ZINC000606430682 565963824 /nfs/dbraw/zinc/96/38/24/565963824.db2.gz MDINASLVSZIRRH-KRWDZBQOSA-N 1 0 396.329 2.574 20 0 GFADRO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)c2cc(Br)c3nccn3c2)C1 ZINC000631588006 565964022 /nfs/dbraw/zinc/96/40/22/565964022.db2.gz YVWPSFKMXOVTEZ-AWEZNQCLSA-N 1 0 391.313 2.901 20 0 GFADRO CC[N@@H+]1CCN(C(=O)[C@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)C[C@H]1C ZINC000677184984 565964512 /nfs/dbraw/zinc/96/45/12/565964512.db2.gz VXUPLOPXOHVGHU-TZMCWYRMSA-N 1 0 384.307 2.899 20 0 GFADRO CS(=O)(=O)N[C@@H]1CCC[N@@H+]([C@H](c2ccc(Cl)cc2)C2CCOCC2)C1 ZINC000653535253 565971732 /nfs/dbraw/zinc/97/17/32/565971732.db2.gz MGLBTYUATQMIDB-QZTJIDSGSA-N 1 0 386.945 2.821 20 0 GFADRO CCN([C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)S(=O)(=O)c1c[nH]c(=O)s1 ZINC000631783080 565974384 /nfs/dbraw/zinc/97/43/84/565974384.db2.gz IEHSOKWFCRFDAW-DZGCQCFKSA-N 1 0 381.523 2.695 20 0 GFADRO C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl)N1CCC([NH2+]CCO)CC1 ZINC000631865649 565979013 /nfs/dbraw/zinc/97/90/13/565979013.db2.gz FJLCUGJJNZEKCI-QWHCGFSZSA-N 1 0 388.339 2.605 20 0 GFADRO C[N@@H+]1CC[C@H](NC(=O)CCn2cc(Br)cn2)[C@H]1c1ccccc1 ZINC000677618818 565979685 /nfs/dbraw/zinc/97/96/85/565979685.db2.gz VHFCIIIULYCNSE-DOTOQJQBSA-N 1 0 377.286 2.597 20 0 GFADRO [NH3+][C@@H]1CCN(S(=O)(=O)c2csnc2-c2cccc(C(F)(F)F)c2)C1 ZINC000631900897 565982569 /nfs/dbraw/zinc/98/25/69/565982569.db2.gz LFPOSRZVJJKRBN-LLVKDONJSA-N 1 0 377.413 2.551 20 0 GFADRO O=c1cc(C[N@@H+]2CCC[C@@H](OC3CCC3)C2)nc2ccc(Br)cn12 ZINC000653813835 565984001 /nfs/dbraw/zinc/98/40/01/565984001.db2.gz FUKCNGDCNPXINM-MRXNPFEDSA-N 1 0 392.297 2.991 20 0 GFADRO O[C@@H]1C[C@H]2CN(Cc3csc(-c4cccc(Br)c4)n3)CC[N@@H+]2C1 ZINC000653824246 565984115 /nfs/dbraw/zinc/98/41/15/565984115.db2.gz DDTANOCICFAPDH-JKSUJKDBSA-N 1 0 394.338 2.823 20 0 GFADRO C[C@@H](c1nnc(-c2ccc(Cl)c(Cl)c2)o1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000653827370 565984324 /nfs/dbraw/zinc/98/43/24/565984324.db2.gz XSMNHAAGTHYKSM-WCFLWFBJSA-N 1 0 383.279 2.855 20 0 GFADRO CC[C@H]([NH2+]Cc1nnnn1-c1ccccc1Br)[C@@H]1CCCCO1 ZINC000653878323 565986154 /nfs/dbraw/zinc/98/61/54/565986154.db2.gz YFNCJTDPPHGTCK-ZFWWWQNUSA-N 1 0 380.290 2.862 20 0 GFADRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1cc(=O)c2cc(Br)ccc2[nH]1 ZINC000607660127 565987732 /nfs/dbraw/zinc/98/77/32/565987732.db2.gz PXDLHIFLHAMZFU-BDJLRTHQSA-N 1 0 392.297 2.703 20 0 GFADRO COc1cc(Br)c(NC(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)cc1OC ZINC000653951231 565988308 /nfs/dbraw/zinc/98/83/08/565988308.db2.gz YWFGUEXOMAILNR-PHIMTYICSA-N 1 0 386.290 2.928 20 0 GFADRO [NH3+]C[C@H]1Cc2ccccc2N(S(=O)(=O)c2cscc2Br)C1 ZINC000631996670 565989514 /nfs/dbraw/zinc/98/95/14/565989514.db2.gz IWFYVHKEFGLNIH-SNVBAGLBSA-N 1 0 387.324 2.837 20 0 GFADRO COc1ccc(C[NH+](C)C)cc1NC(=O)c1c[nH]c(=O)c(Br)c1 ZINC000607887853 565990977 /nfs/dbraw/zinc/99/09/77/565990977.db2.gz QFYFNUPJKLPCAF-UHFFFAOYSA-N 1 0 380.242 2.872 20 0 GFADRO CC[NH+](CC)CC1CCN(S(=O)(=O)c2onc(C3CC3)c2Cl)CC1 ZINC000632027076 565992213 /nfs/dbraw/zinc/99/22/13/565992213.db2.gz SKXCDNDTDZSOJC-UHFFFAOYSA-N 1 0 375.922 2.948 20 0 GFADRO Cc1ccc(C[NH2+][C@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)cc1Br ZINC000678075983 565997254 /nfs/dbraw/zinc/99/72/54/565997254.db2.gz JDBPCPKLECIEQB-LRDDRELGSA-N 1 0 377.286 2.775 20 0 GFADRO CC(C)[N@@H+]1C[C@H](C)[C@H](NS(=O)(=O)Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000608045874 565999893 /nfs/dbraw/zinc/99/98/93/565999893.db2.gz FDWFLCUXYAMSEX-SWLSCSKDSA-N 1 0 380.432 2.733 20 0 GFADRO O=S1(=O)CCCN1CCC[NH2+]Cc1ccc(Br)cc1Cl ZINC000608055649 566001283 /nfs/dbraw/zinc/00/12/83/566001283.db2.gz DICCXPCJLDKDCP-UHFFFAOYSA-N 1 0 381.723 2.618 20 0 GFADRO CC(C)n1cc(Br)cc1C(=O)NCCCN1CCC[N@H+](C)CC1 ZINC000608134725 566004615 /nfs/dbraw/zinc/00/46/15/566004615.db2.gz SQQBSXGINGKTRB-UHFFFAOYSA-N 1 0 385.350 2.589 20 0 GFADRO O=C(N[C@H]1CCC[N@@H+]2CCCC[C@H]12)c1cc2c(c(Br)c1)OCO2 ZINC000654308826 566005152 /nfs/dbraw/zinc/00/51/52/566005152.db2.gz RREDDFGPFJOTJN-UONOGXRCSA-N 1 0 381.270 2.925 20 0 GFADRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2cc(=O)c3cc(Br)ccc3[nH]2)C1 ZINC000608240881 566008957 /nfs/dbraw/zinc/00/89/57/566008957.db2.gz MCYABUFTLSABHT-GFCCVEGCSA-N 1 0 392.297 2.704 20 0 GFADRO CO[C@H](C(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccccc1Br ZINC000654426616 566009891 /nfs/dbraw/zinc/00/98/91/566009891.db2.gz PSWNOAIWOWEITG-CPUCHLNUSA-N 1 0 399.329 2.752 20 0 GFADRO C[NH+](C)CCn1cc(C(=O)N2CCc3cc(Br)cc(F)c3C2)cn1 ZINC000632298450 566018964 /nfs/dbraw/zinc/01/89/64/566018964.db2.gz MYNSKQQDEZRWSB-UHFFFAOYSA-N 1 0 395.276 2.545 20 0 GFADRO C[C@H]([NH2+]Cc1ccn(C)c(=O)c1)c1cc2c(cc1Br)OCCO2 ZINC000678755951 566019551 /nfs/dbraw/zinc/01/95/51/566019551.db2.gz MPUWBEAWOAZAGR-NSHDSACASA-N 1 0 379.254 2.770 20 0 GFADRO Cc1ccc(I)c(C(=O)Nc2cnn(CC[NH+](C)C)c2)c1 ZINC000608783646 566023424 /nfs/dbraw/zinc/02/34/24/566023424.db2.gz VVAHBONCLAJXRP-UHFFFAOYSA-N 1 0 398.248 2.610 20 0 GFADRO C[C@@H]([NH2+]CC(=O)N1CCN(C)CC1)c1cc2cc(Br)ccc2o1 ZINC000678924620 566024130 /nfs/dbraw/zinc/02/41/30/566024130.db2.gz NUXCFFPXNMUMCE-GFCCVEGCSA-N 1 0 380.286 2.620 20 0 GFADRO C[C@@H](NC(=O)COc1ccc(Br)cn1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000632370101 566025550 /nfs/dbraw/zinc/02/55/50/566025550.db2.gz VKKNXHSDKCGSEH-KGLIPLIRSA-N 1 0 396.329 2.992 20 0 GFADRO CCC(F)(F)C(C)(C)CS(=O)(=O)N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000632451444 566033836 /nfs/dbraw/zinc/03/38/36/566033836.db2.gz NFJHAJRQFBRQCN-UHFFFAOYSA-N 1 0 382.517 2.574 20 0 GFADRO C[C@H](C[NH2+][C@@H](c1ccc(Br)cc1)[C@H]1CCCO1)S(C)(=O)=O ZINC000679357155 566039927 /nfs/dbraw/zinc/03/99/27/566039927.db2.gz XWYWCCVIWIBCAQ-DFBGVHRSSA-N 1 0 376.316 2.692 20 0 GFADRO Cc1nc(-c2ccc(C(=O)N[C@@H](C)CC[NH+]3CCN(C)CC3)s2)cs1 ZINC000632527109 566040640 /nfs/dbraw/zinc/04/06/40/566040640.db2.gz MQNRMMPLKRQWFF-ZDUSSCGKSA-N 1 0 378.567 2.936 20 0 GFADRO CC(C)(COc1ccc(C(F)(F)F)cn1)[NH2+]CC[C@H]1CCS(=O)(=O)C1 ZINC000679437774 566041857 /nfs/dbraw/zinc/04/18/57/566041857.db2.gz JHAZHBWOURVIFJ-LBPRGKRZSA-N 1 0 380.432 2.672 20 0 GFADRO CCC[C@](C)(O)C[NH2+]Cc1cc(I)c(OC)c(OC)c1 ZINC000609571488 566044427 /nfs/dbraw/zinc/04/44/27/566044427.db2.gz KOSURPQBMIETGJ-HNNXBMFYSA-N 1 0 393.265 2.949 20 0 GFADRO CC[N@@H+](CC(=O)Nc1cccc(I)c1)C[C@H]1CCOC1 ZINC000609631604 566047796 /nfs/dbraw/zinc/04/77/96/566047796.db2.gz FRZLOCVQORKYNV-GFCCVEGCSA-N 1 0 388.249 2.588 20 0 GFADRO C[C@H](CNC(=O)c1c[nH]c2ncc(Br)cc12)N1C[C@@H](C)O[C@@H](C)C1 ZINC000655241373 566048009 /nfs/dbraw/zinc/04/80/09/566048009.db2.gz KIBQXUGPPWIYAT-UTUOFQBUSA-N 1 0 395.301 2.553 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)CCC[N@@H+]1CC[C@H](NC(N)=O)C1 ZINC000679823038 566054027 /nfs/dbraw/zinc/05/40/27/566054027.db2.gz UIVJJZNGXGJWAC-AWEZNQCLSA-N 1 0 397.317 2.527 20 0 GFADRO COc1ccccc1[C@@H](CO)[NH2+]C[C@@H](O)COc1cccc(Br)c1 ZINC000679827004 566055481 /nfs/dbraw/zinc/05/54/81/566055481.db2.gz NSRBGIQRCOQLNU-RHSMWYFYSA-N 1 0 396.281 2.521 20 0 GFADRO COc1ccc(Br)cc1C1(NC(=O)[C@@H]2C[C@@]23CCC[NH2+]C3)CC1 ZINC000655483006 566059859 /nfs/dbraw/zinc/05/98/59/566059859.db2.gz CHVSLGYDAWEWCV-WMLDXEAASA-N 1 0 379.298 2.953 20 0 GFADRO COc1cc(Br)ccc1CCCN1CC[NH+](C(C)(C)CO)CC1 ZINC000680065311 566061065 /nfs/dbraw/zinc/06/10/65/566061065.db2.gz BJWRRKYGKMLOMP-UHFFFAOYSA-N 1 0 385.346 2.779 20 0 GFADRO COC(=O)c1csc(S(=O)(=O)N(CC[NH+](C)C)CC2CCCCC2)c1 ZINC000610161416 566068933 /nfs/dbraw/zinc/06/89/33/566068933.db2.gz LOFRFFVWRCSRDD-UHFFFAOYSA-N 1 0 388.555 2.667 20 0 GFADRO COc1ncc(C(=O)N2C[C@H](C[NH3+])Cc3ccccc32)cc1Br ZINC000632867967 566072063 /nfs/dbraw/zinc/07/20/63/566072063.db2.gz CCXUGLDXXYFDLR-NSHDSACASA-N 1 0 376.254 2.631 20 0 GFADRO CCOCCOc1ccc(Br)cc1NC(=O)N1C[C@@H]([NH3+])C[C@H]1C ZINC000632931004 566075584 /nfs/dbraw/zinc/07/55/84/566075584.db2.gz RRORJNYKRNPGQY-YPMHNXCESA-N 1 0 386.290 2.818 20 0 GFADRO Cn1ncc(Br)c1CNC(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000632950258 566076117 /nfs/dbraw/zinc/07/61/17/566076117.db2.gz AWNREYWXNAEFHP-UHFFFAOYSA-N 1 0 398.349 2.636 20 0 GFADRO [NH3+]CC[C@H](NC(=O)N[C@@H]1[C@H]2Cc3cc(Br)ccc3[C@@H]12)C(F)(F)F ZINC000632952626 566076490 /nfs/dbraw/zinc/07/64/90/566076490.db2.gz DVFPZBBISLQTIE-WUHRBBMRSA-N 1 0 392.219 2.666 20 0 GFADRO CC(C)Oc1cc(NC(=O)C(=O)N[C@H]2CCC[C@H]([NH3+])C2)ccc1Br ZINC000633007041 566079502 /nfs/dbraw/zinc/07/95/02/566079502.db2.gz ZDDSSVWPRBVETR-RYUDHWBXSA-N 1 0 398.301 2.561 20 0 GFADRO O=S(=O)(N[C@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccccc1OC(F)(F)F ZINC000655668551 566080078 /nfs/dbraw/zinc/08/00/78/566080078.db2.gz GSIWBTQZPBVNLW-QWHCGFSZSA-N 1 0 378.416 2.880 20 0 GFADRO CC(=O)Nc1ccc(S(=O)(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)cc1Cl ZINC000655668774 566080187 /nfs/dbraw/zinc/08/01/87/566080187.db2.gz IWXWHQHZQXTQHY-DLBZAZTESA-N 1 0 385.917 2.594 20 0 GFADRO CC1(C)C[NH2+]CC[C@H](NC(=O)C(=O)Nc2cc(Cl)c(F)c(Cl)c2)C1 ZINC000633046628 566081288 /nfs/dbraw/zinc/08/12/88/566081288.db2.gz RSVKJZMZOAIVKN-VIFPVBQESA-N 1 0 376.259 2.965 20 0 GFADRO CCOc1ccc(NC(=O)C(=O)NC2(C[NH3+])CCCCC2)cc1Br ZINC000633048751 566082138 /nfs/dbraw/zinc/08/21/38/566082138.db2.gz CAIFDUZCXMZXAS-UHFFFAOYSA-N 1 0 398.301 2.564 20 0 GFADRO O=C(c1cccc2c(Br)cccc12)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000633069038 566082990 /nfs/dbraw/zinc/08/29/90/566082990.db2.gz FECXXKOZSSMWHX-ZIAGYGMSSA-N 1 0 389.293 2.883 20 0 GFADRO Cc1nn(-c2cccc(Br)c2)cc1C[NH2+]C[C@H]1CCCS1(=O)=O ZINC000655747201 566085994 /nfs/dbraw/zinc/08/59/94/566085994.db2.gz BQUINWCSNCDUMD-MRXNPFEDSA-N 1 0 398.326 2.610 20 0 GFADRO CN(C)C(=O)CN1CCC([NH2+]Cc2oc3ccccc3c2Br)CC1 ZINC000655734168 566086196 /nfs/dbraw/zinc/08/61/96/566086196.db2.gz BCWFZRDJPQNMHH-UHFFFAOYSA-N 1 0 394.313 2.838 20 0 GFADRO Cc1nn(-c2ccccc2Br)cc1C[NH2+][C@H](C)C(=O)NCCF ZINC000655770020 566088792 /nfs/dbraw/zinc/08/87/92/566088792.db2.gz WFOFTVGCIXCDOC-GFCCVEGCSA-N 1 0 383.265 2.507 20 0 GFADRO Cc1cc(Br)cc(C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)c1 ZINC000680970446 566088882 /nfs/dbraw/zinc/08/88/82/566088882.db2.gz BOHSFXHHUFRJAT-KRWDZBQOSA-N 1 0 380.330 2.610 20 0 GFADRO CSc1ccc(S(=O)(=O)N2CCN(c3cc[nH+]cc3)CC2)cc1Cl ZINC000680975394 566090381 /nfs/dbraw/zinc/09/03/81/566090381.db2.gz ZAIXMKLYZJMLSZ-UHFFFAOYSA-N 1 0 383.926 2.968 20 0 GFADRO CC(C)(CNC(=O)N[C@H](C[NH3+])C(F)(F)F)c1ccc(Br)cc1 ZINC000655910751 566095278 /nfs/dbraw/zinc/09/52/78/566095278.db2.gz BMGVOHVYUNWLCV-LLVKDONJSA-N 1 0 382.224 2.916 20 0 GFADRO Cc1ccc(Cl)cc1N1CC[C@@H](CNC(=O)N[C@H](C[NH3+])C(F)(F)F)C1 ZINC000655913863 566095905 /nfs/dbraw/zinc/09/59/05/566095905.db2.gz BZEQGLCNFTUHPT-SMDDNHRTSA-N 1 0 378.826 2.664 20 0 GFADRO Cc1c(Br)cccc1CS(=O)(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000655950237 566098207 /nfs/dbraw/zinc/09/82/07/566098207.db2.gz IWQNGWSIIFYPMK-STQMWFEESA-N 1 0 375.332 2.647 20 0 GFADRO CC[NH2+]CC1CCN(S(=O)(=O)Cc2cccc(Br)c2C)CC1 ZINC000655951324 566098569 /nfs/dbraw/zinc/09/85/69/566098569.db2.gz STVQKMPMCCAYRC-UHFFFAOYSA-N 1 0 389.359 2.909 20 0 GFADRO C[C@H]([NH2+]CCOC[C@H]1CCOC1)c1ccc(I)cc1 ZINC000610815055 566101497 /nfs/dbraw/zinc/10/14/97/566101497.db2.gz IBSDIEBVMGBICE-STQMWFEESA-N 1 0 375.250 2.995 20 0 GFADRO C[C@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000656063342 566103344 /nfs/dbraw/zinc/10/33/44/566103344.db2.gz BGOYDBGUSXVVID-BZPMIXESSA-N 1 0 386.323 2.969 20 0 GFADRO CCC[N@H+](CC)CCNC(=O)c1cccc(F)c1I ZINC000611004257 566109859 /nfs/dbraw/zinc/10/98/59/566109859.db2.gz KVFJDBAESBEEEL-UHFFFAOYSA-N 1 0 378.229 2.892 20 0 GFADRO CC[N@@H+]1CCN(c2ncnc3ccc(I)cc32)C[C@@H]1C ZINC000611084710 566114005 /nfs/dbraw/zinc/11/40/05/566114005.db2.gz LTSXJURSGNKDNH-NSHDSACASA-N 1 0 382.249 2.765 20 0 GFADRO Cc1ccc(-c2ncc(C[N@@H+]3CCC[C@@H](CS(N)(=O)=O)C3)s2)cc1C ZINC000656252005 566117776 /nfs/dbraw/zinc/11/77/76/566117776.db2.gz OQLNNGSRHCFGJQ-OAHLLOKOSA-N 1 0 379.551 2.927 20 0 GFADRO Cc1ccc(-c2ncc(C[N@@H+]3CCC[C@H](CS(N)(=O)=O)C3)s2)cc1C ZINC000656252004 566117923 /nfs/dbraw/zinc/11/79/23/566117923.db2.gz OQLNNGSRHCFGJQ-HNNXBMFYSA-N 1 0 379.551 2.927 20 0 GFADRO Cc1nn(-c2cccc(Br)c2)cc1C[N@@H+](C[C@H](O)CO)C(C)C ZINC000656263929 566120102 /nfs/dbraw/zinc/12/01/02/566120102.db2.gz APNYXBODILVSDM-KRWDZBQOSA-N 1 0 382.302 2.507 20 0 GFADRO COc1cc(Br)c(C[NH2+]C[C@H](C)N2C[C@@H](C)O[C@@H](C)C2)cc1O ZINC000656268540 566122212 /nfs/dbraw/zinc/12/22/12/566122212.db2.gz FEKGRYKJZYHUCU-RWMBFGLXSA-N 1 0 387.318 2.751 20 0 GFADRO C[C@@H](NC(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)c1cc(F)c(Cl)cc1Cl ZINC000656286103 566122698 /nfs/dbraw/zinc/12/26/98/566122698.db2.gz KXHQKKSIATTXLJ-MXWKQRLJSA-N 1 0 390.286 2.766 20 0 GFADRO COc1cc(C[N@H+](CCCO)C2CC2)cc(I)c1OC ZINC000611271605 566124303 /nfs/dbraw/zinc/12/43/03/566124303.db2.gz NHLJNDFXYJVWGA-UHFFFAOYSA-N 1 0 391.249 2.655 20 0 GFADRO C[N@H+](CCn1cc(Cn2cc(Br)cn2)nn1)Cc1cccc(F)c1 ZINC000656449897 566126649 /nfs/dbraw/zinc/12/66/49/566126649.db2.gz IXUUNOBKMFPZAO-UHFFFAOYSA-N 1 0 393.264 2.557 20 0 GFADRO C[N@@H+]1CC[C@H](C(=O)N2CC3(CCOCC3)c3ccc(Br)cc32)C1 ZINC000633847525 566127985 /nfs/dbraw/zinc/12/79/85/566127985.db2.gz OKVCNFFXPIQGCV-ZDUSSCGKSA-N 1 0 379.298 2.796 20 0 GFADRO O=C(N[C@H]1CC[N@H+](CC2CC2)C1)c1cnc2ncc(Br)cc2c1 ZINC000681992800 566136236 /nfs/dbraw/zinc/13/62/36/566136236.db2.gz YNJQOGYRAVGVJS-HNNXBMFYSA-N 1 0 375.270 2.606 20 0 GFADRO O=C(c1cnc2ncc(Br)cc2c1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000682000912 566137754 /nfs/dbraw/zinc/13/77/54/566137754.db2.gz CIRZPAURGFXAPX-ZDUSSCGKSA-N 1 0 389.297 2.950 20 0 GFADRO COC(=O)[C@H](c1cccc(Cl)c1Cl)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000611661675 566139367 /nfs/dbraw/zinc/13/93/67/566139367.db2.gz RMDGPPIKYZIMLA-VYDXJSESSA-N 1 0 387.307 2.739 20 0 GFADRO C[NH+](C)C1(CNC(=O)[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)CCC1 ZINC000682168322 566145087 /nfs/dbraw/zinc/14/50/87/566145087.db2.gz CYNLTTOMDDSGDJ-CYBMUJFWSA-N 1 0 384.307 2.947 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N[C@@H](C)C2CC[NH+](C)CC2)c(Br)c1 ZINC000682193624 566147118 /nfs/dbraw/zinc/14/71/18/566147118.db2.gz WKGGKXUGDRCRLO-ZDUSSCGKSA-N 1 0 396.329 2.851 20 0 GFADRO CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)Nc1cc(C)ccc1Br ZINC000682275315 566148741 /nfs/dbraw/zinc/14/87/41/566148741.db2.gz ZKXMEUHDQKDLCC-CYBMUJFWSA-N 1 0 382.302 2.687 20 0 GFADRO O=C(c1cc(Br)cc2c1OCCO2)N1CCC(c2c[nH]cn2)CC1 ZINC000612064290 566150434 /nfs/dbraw/zinc/15/04/34/566150434.db2.gz ULSSZZPPFCGDQZ-UHFFFAOYSA-N 1 0 392.253 2.963 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N2CCC[C@H]([NH2+]C(C)C)C2)c(Br)c1 ZINC000682352713 566151600 /nfs/dbraw/zinc/15/16/00/566151600.db2.gz ULNUSOKADZRRQN-AWEZNQCLSA-N 1 0 396.329 2.993 20 0 GFADRO O=S1(=O)CC(CC[NH2+]Cc2cc(Br)cc(C(F)(F)F)c2)C1 ZINC000682474839 566155658 /nfs/dbraw/zinc/15/56/58/566155658.db2.gz SDRYYDZVVNDQNV-UHFFFAOYSA-N 1 0 386.233 2.992 20 0 GFADRO COCC[N@@H+]1CCC[C@H](NC(=O)Cc2ccc(Br)c(Cl)c2)C1 ZINC000682496543 566158196 /nfs/dbraw/zinc/15/81/96/566158196.db2.gz XNBUPSHXJQLQGQ-ZDUSSCGKSA-N 1 0 389.721 2.872 20 0 GFADRO CC(C)C(=O)N1CCC([NH2+]C[C@H](O)COc2cc(Cl)cc(Cl)c2)CC1 ZINC000634640643 566162165 /nfs/dbraw/zinc/16/21/65/566162165.db2.gz DAWYCTAXBMTEAA-INIZCTEOSA-N 1 0 389.323 2.970 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)c1cnn(-c2ccc(Br)cc2)c1 ZINC000682689715 566167353 /nfs/dbraw/zinc/16/73/53/566167353.db2.gz GOTKTPBXBZHBSP-HZPDHXFCSA-N 1 0 377.286 2.847 20 0 GFADRO CC[C@H](CO)[NH+]1CCN(C(=O)Cc2c(Cl)cccc2Br)CC1 ZINC000612680398 566170208 /nfs/dbraw/zinc/17/02/08/566170208.db2.gz ZGFZBYZNUSKUBJ-GFCCVEGCSA-N 1 0 389.721 2.560 20 0 GFADRO C[N@H+](CCCNS(=O)(=O)c1ncccc1Br)Cc1ccccc1 ZINC000656867816 566170343 /nfs/dbraw/zinc/17/03/43/566170343.db2.gz VATBLVFDEMXEKM-UHFFFAOYSA-N 1 0 398.326 2.645 20 0 GFADRO COC1CC[NH+](CCNC(=O)c2cn(C)nc2-c2ccc(Cl)s2)CC1 ZINC000682808674 566171260 /nfs/dbraw/zinc/17/12/60/566171260.db2.gz JBXXYEOGEYABJB-UHFFFAOYSA-N 1 0 382.917 2.643 20 0 GFADRO C[C@H](CC(F)(F)F)CS(=O)(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000656875270 566171805 /nfs/dbraw/zinc/17/18/05/566171805.db2.gz QFOZDJQIGOBAPU-CYBMUJFWSA-N 1 0 388.521 2.856 20 0 GFADRO C[C@@](O)(C[C@@H](O)C[NH2+]Cc1cnn(-c2ccc(Br)cc2)c1)C1CC1 ZINC000634712632 566172216 /nfs/dbraw/zinc/17/22/16/566172216.db2.gz JNDWHBVHSUYEGY-QZTJIDSGSA-N 1 0 394.313 2.636 20 0 GFADRO CC[C@H]([NH2+]C[C@@H](O)CC1(O)CCOCC1)c1cc(F)cc(Br)c1 ZINC000634711320 566172538 /nfs/dbraw/zinc/17/25/38/566172538.db2.gz MTUGIMUJISKPST-HOTGVXAUSA-N 1 0 390.293 2.921 20 0 GFADRO CC[C@@H](Cc1ccc(Br)cc1)[NH2+]C[C@H](O)CC1(O)CCOCC1 ZINC000634722819 566173862 /nfs/dbraw/zinc/17/38/62/566173862.db2.gz VMWZVWKASUYBAG-DLBZAZTESA-N 1 0 386.330 2.652 20 0 GFADRO Cc1ccc(C(=O)N[C@@H](C)CC[NH+]2CCN(C)CC2)c(C)c1Br ZINC000682935241 566177953 /nfs/dbraw/zinc/17/79/53/566177953.db2.gz YBZCJNGHHLUHTN-AWEZNQCLSA-N 1 0 382.346 2.822 20 0 GFADRO C[C@H](CNC(=O)N[C@H]1CC12CC[NH2+]CC2)Oc1ccccc1Br ZINC000612977712 566180284 /nfs/dbraw/zinc/18/02/84/566180284.db2.gz RJWQVIDTFGQWMK-DOMZBBRYSA-N 1 0 382.302 2.658 20 0 GFADRO Ic1ccc(-c2nc([C@@H]3C[N@@H+]4CCC[C@H]4CO3)no2)cc1 ZINC000612982232 566181616 /nfs/dbraw/zinc/18/16/16/566181616.db2.gz KJWQERDIXUVHJF-STQMWFEESA-N 1 0 397.216 2.877 20 0 GFADRO CCN1CCN(C(=O)C(=O)Nc2cc(C)c(Br)c(C)c2)C[C@@H]1C ZINC000683162835 566185462 /nfs/dbraw/zinc/18/54/62/566185462.db2.gz IXWHQUTULCMCHG-ZDUSSCGKSA-N 1 0 382.302 2.557 20 0 GFADRO C[N@H+](CCCNC(=O)C1CCC1)C[C@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000683228220 566190540 /nfs/dbraw/zinc/19/05/40/566190540.db2.gz JHCUDWWZTLCRIH-AWEZNQCLSA-N 1 0 389.323 2.971 20 0 GFADRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2cscc2Cl)[C@@H](C)C1 ZINC000635056413 566191891 /nfs/dbraw/zinc/19/18/91/566191891.db2.gz PRJUBFMASCYVCK-GXTWGEPZSA-N 1 0 387.933 2.593 20 0 GFADRO C[N@@H+]1CC[C@@H](CC(=O)NCC2(c3cccc(Br)c3)CCOCC2)C1 ZINC000635391712 566210067 /nfs/dbraw/zinc/21/00/67/566210067.db2.gz UTHXQKBIMUPEMD-HNNXBMFYSA-N 1 0 395.341 2.955 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC000635462611 566215140 /nfs/dbraw/zinc/21/51/40/566215140.db2.gz UJFQDSHCIVBHAV-UHFFFAOYSA-N 1 0 394.313 2.688 20 0 GFADRO Cc1ccc(S(=O)(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)c(Br)c1 ZINC000657063447 566216024 /nfs/dbraw/zinc/21/60/24/566216024.db2.gz XSIHKECVGHORBG-LBPRGKRZSA-N 1 0 375.332 2.909 20 0 GFADRO C[C@@H](NC(=O)N1CC[C@@H](n2cc(C[NH3+])nn2)C1)c1ccc(Cl)cc1Cl ZINC000635527900 566217699 /nfs/dbraw/zinc/21/76/99/566217699.db2.gz XSTHJFVRRJUIBY-ZWNOBZJWSA-N 1 0 383.283 2.761 20 0 GFADRO C[NH+](C)C[C@]1(O)CCCN(C(=O)c2cc3c(cc(Br)cc3F)[nH]2)C1 ZINC000683912717 566218505 /nfs/dbraw/zinc/21/85/05/566218505.db2.gz HQVIYFOMBORQEX-QGZVFWFLSA-N 1 0 398.276 2.598 20 0 GFADRO O=C(N1CCC(n2cc(Br)cn2)CC1)C12CCC[NH+](CCC1)C2 ZINC000635544285 566219106 /nfs/dbraw/zinc/21/91/06/566219106.db2.gz OGCNGYHMUSVERC-UHFFFAOYSA-N 1 0 381.318 2.685 20 0 GFADRO C[C@@H](CCNS(=O)(=O)c1cc(Br)sc1Cl)[NH+](C)C ZINC000657091039 566221701 /nfs/dbraw/zinc/22/17/01/566221701.db2.gz LFMMUGFTWVEEKK-ZETCQYMHSA-N 1 0 375.741 2.783 20 0 GFADRO Cc1nc(CS(=O)(=O)N2c3ccc(C)cc3[C@@H]3C[N@H+](C)CC[C@@H]32)cs1 ZINC000684094134 566226210 /nfs/dbraw/zinc/22/62/10/566226210.db2.gz BOMGGVITJLLHSW-WMZOPIPTSA-N 1 0 377.535 2.898 20 0 GFADRO O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)N1CCOc2c(Br)cccc2C1 ZINC000684253170 566231141 /nfs/dbraw/zinc/23/11/41/566231141.db2.gz JQVJGPHGOVTJRN-LSDHHAIUSA-N 1 0 394.313 2.980 20 0 GFADRO C[NH+](C)C[C@H]1CCN(C(=O)c2ccccc2-c2ccccc2-c2nn[nH]n2)C1 ZINC000736762462 598841385 /nfs/dbraw/zinc/84/13/85/598841385.db2.gz IAFDNUZJOORPRI-OAHLLOKOSA-N 1 0 376.464 2.557 20 0 GFADRO C[C@H]([NH2+]C(C)(C)CNC(=O)NCc1ccc(-c2nn[nH]n2)cc1)c1ccccc1 ZINC000736130948 598852403 /nfs/dbraw/zinc/85/24/03/598852403.db2.gz IMLAFOSNYUQTHV-HNNXBMFYSA-N 1 0 393.495 2.795 20 0 GFADRO CCOC[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)C1 ZINC000736609307 598873021 /nfs/dbraw/zinc/87/30/21/598873021.db2.gz PQTPQTCEENRGEZ-OLZOCXBDSA-N 1 0 392.891 2.596 20 0 GFADRO NC(=O)c1ccc(C[NH2+]Cc2cccc(-c3ccc(-c4nn[nH]n4)s3)c2)cc1 ZINC000737761472 598888127 /nfs/dbraw/zinc/88/81/27/598888127.db2.gz YCZCUMFHMCZBDB-UHFFFAOYSA-N 1 0 390.472 2.984 20 0 GFADRO CCC(C)(C)[N@H+](C)CC(=O)Nc1c(-c2nn[nH]n2)c(C)c(C)n1Cc1ccco1 ZINC000736313307 598898492 /nfs/dbraw/zinc/89/84/92/598898492.db2.gz HUXCZIODYVKNKS-UHFFFAOYSA-N 1 0 399.499 2.985 20 0 GFADRO CC[NH+](CC)[C@H](CNc1c2ccccc2nnc1-c1nn[nH]n1)c1ccco1 ZINC000736534499 598961288 /nfs/dbraw/zinc/96/12/88/598961288.db2.gz POFSPSSFZARZMN-OAHLLOKOSA-N 1 0 378.440 2.898 20 0 GFADRO Cc1cc(C)cc([C@@H](C)[NH2+][C@@H]2CCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)c1 ZINC000737252518 598961463 /nfs/dbraw/zinc/96/14/63/598961463.db2.gz IIZPCXBFOBTRJI-DNVCBOLYSA-N 1 0 376.464 2.940 20 0 GFADRO c1ccc2c(c1)nnc(-c1nn[nH]n1)c2N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000738432423 598965918 /nfs/dbraw/zinc/96/59/18/598965918.db2.gz FUXZKRWQFFIMMY-MRXNPFEDSA-N 1 0 392.511 2.902 20 0 GFADRO Cc1cc(=O)oc2cc(OCC[N@@H+](C)Cc3ccc(-c4nn[nH]n4)cc3)ccc12 ZINC000737226313 598983650 /nfs/dbraw/zinc/98/36/50/598983650.db2.gz UUXBJEFLWHOSCO-UHFFFAOYSA-N 1 0 391.431 2.792 20 0 GFADRO C[C@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2F)CC[C@H]1NC(=O)OC(C)(C)C ZINC000736285975 598988812 /nfs/dbraw/zinc/98/88/12/598988812.db2.gz LJGKVNQQKRWVDN-BLLLJJGKSA-N 1 0 390.463 2.741 20 0 GFADRO CCC[N@H+](CCC(=O)Nc1ccccc1-c1nn[nH]n1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000736472443 598989508 /nfs/dbraw/zinc/98/95/08/598989508.db2.gz WZECRPWQZRBQCT-ATZDWAIDSA-N 1 0 398.511 2.721 20 0 GFADRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1CCOc1ccc(-c2nn[nH]n2)cc1 ZINC000736290614 598993284 /nfs/dbraw/zinc/99/32/84/598993284.db2.gz RTCXNOMYEHVHRT-SFHVURJKSA-N 1 0 392.507 2.842 20 0 GFADRO OCC[C@@H]([NH2+]Cc1cccc(OCc2cccc(-c3nn[nH]n3)c2)c1)C1CC1 ZINC000738395841 599054081 /nfs/dbraw/zinc/05/40/81/599054081.db2.gz ZYQUTTCIRQBJCY-HXUWFJFHSA-N 1 0 379.464 2.696 20 0 GFADRO C[NH+](C)CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)[C@H]1C[C@H]1C1CCCCC1 ZINC000736768185 599075255 /nfs/dbraw/zinc/07/52/55/599075255.db2.gz XLGCFNMUKMCETN-PMACEKPBSA-N 1 0 396.539 2.973 20 0 GFADRO CC(C)(C[NH2+][C@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1)c1ccc(Cl)cc1 ZINC000735670752 599092656 /nfs/dbraw/zinc/09/26/56/599092656.db2.gz WAIHARPUEVRNBM-INIZCTEOSA-N 1 0 384.871 2.614 20 0 GFADRO CCc1ccc([C@@H]2CCCC[N@@H+]2C[C@H](O)COc2ccc(-c3nn[nH]n3)cc2)o1 ZINC000736688175 599139137 /nfs/dbraw/zinc/13/91/37/599139137.db2.gz UUNQEAJMHHEIMS-LPHOPBHVSA-N 1 0 397.479 2.989 20 0 GFADRO CC[NH+](CC)[C@@H](C(=O)NCc1cc(-c2nn[nH]n2)ccc1F)c1ccccc1 ZINC000821175392 599173785 /nfs/dbraw/zinc/17/37/85/599173785.db2.gz LPXRBSNYWQUHAT-GOSISDBHSA-N 1 0 382.443 2.705 20 0 GFADRO CCOc1ccc(-c2nn[nH]n2)cc1NC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000736638255 599188494 /nfs/dbraw/zinc/18/84/94/599188494.db2.gz ZAKWVTSSXBOARR-MRXNPFEDSA-N 1 0 389.504 2.753 20 0 GFADRO COc1cc(C[N@H+](C)[C@@H]2CCOC2)ccc1OCc1cccc(-c2nn[nH]n2)c1 ZINC000737045644 599208667 /nfs/dbraw/zinc/20/86/67/599208667.db2.gz JTSOQYRXHXAYHA-GOSISDBHSA-N 1 0 395.463 2.675 20 0 GFADRO CC[C@H]1CCC[N@H+](CC(=O)Nc2c(-c3nn[nH]n3)cnn2-c2ccccc2)CC1 ZINC000736400769 599235255 /nfs/dbraw/zinc/23/52/55/599235255.db2.gz BYLKWHHEKLJCIP-HNNXBMFYSA-N 1 0 394.483 2.503 20 0 GFADRO C[NH+](C)CCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)/C=C/C1CCCCC1 ZINC000736766545 599248852 /nfs/dbraw/zinc/24/88/52/599248852.db2.gz AWCRPKBUWBEXMU-JLHYYAGUSA-N 1 0 382.512 2.893 20 0 GFADRO CCOc1ccc(-c2nn[nH]n2)cc1NC(=O)NC[C@H](C(CC)CC)[NH+](C)C ZINC000821406484 599264637 /nfs/dbraw/zinc/26/46/37/599264637.db2.gz GAYORXWUPWYXTQ-MRXNPFEDSA-N 1 0 389.504 2.753 20 0 GFADRO c1ccc(CC[NH+]2CCC(Nc3c(-c4nn[nH]n4)cnc4ccccc43)CC2)cc1 ZINC000738425791 599274191 /nfs/dbraw/zinc/27/41/91/599274191.db2.gz AZMMCHAJILEHCS-UHFFFAOYSA-N 1 0 399.502 2.956 20 0 GFADRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)Nc1ccc(F)c(-c2nn[nH]n2)c1 ZINC000736457926 599280374 /nfs/dbraw/zinc/28/03/74/599280374.db2.gz RXXROKOMLWNKOT-CQSZACIVSA-N 1 0 375.452 2.782 20 0 GFADRO OC1CC[NH+](Cc2ccc(CNc3ccc(-c4nn[nH]n4)cc3F)cc2)CC1 ZINC000738389298 598243990 /nfs/dbraw/zinc/24/39/90/598243990.db2.gz KDRZSSWPLRSPRP-UHFFFAOYSA-N 1 0 382.443 2.575 20 0 GFADRO Fc1cccc(OCC[NH+]2CCC(Oc3cccc(-c4nn[nH]n4)c3)CC2)c1 ZINC000737665505 598249740 /nfs/dbraw/zinc/24/97/40/598249740.db2.gz RAUUBIKFKWZJOW-UHFFFAOYSA-N 1 0 383.427 2.928 20 0 GFADRO CC(=O)Nc1cccc(C[NH+]2CCC(Oc3cccc(-c4nn[nH]n4)c3)CC2)c1 ZINC000735488352 598250235 /nfs/dbraw/zinc/25/02/35/598250235.db2.gz KOMHDOHFIYPLTB-UHFFFAOYSA-N 1 0 392.463 2.869 20 0 GFADRO O=C(CC[N@H+]1CC[C@@H](c2cccc(F)c2)C1)Nc1ccccc1-c1nn[nH]n1 ZINC000737837433 598252854 /nfs/dbraw/zinc/25/28/54/598252854.db2.gz GTGKRNHFRUMNJT-OAHLLOKOSA-N 1 0 380.427 2.824 20 0 GFADRO O=C(CC[N@H+]1CC[C@H](c2cccc(F)c2)C1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000737836565 598253051 /nfs/dbraw/zinc/25/30/51/598253051.db2.gz BUKHJYMKTYMPHZ-INIZCTEOSA-N 1 0 380.427 2.824 20 0 GFADRO Cc1ccccc1[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccccc2-c2nn[nH]n2)C1 ZINC000737423410 598254983 /nfs/dbraw/zinc/25/49/83/598254983.db2.gz PNBFSKPJSMWTBW-HZPDHXFCSA-N 1 0 376.464 2.992 20 0 GFADRO CCc1noc(-c2ccc(CC[NH2+]Cc3ccc(-c4nn[nH]n4)cc3)cc2)n1 ZINC000736711399 598287276 /nfs/dbraw/zinc/28/72/76/598287276.db2.gz XOQPKEQNNOKTBZ-UHFFFAOYSA-N 1 0 375.436 2.811 20 0 GFADRO CC[N@@H+]1CCCN(C(=O)c2ccccc2-c2ccccc2-c2nn[nH]n2)CC1 ZINC000736568830 598287919 /nfs/dbraw/zinc/28/79/19/598287919.db2.gz DFEXXXDKOLGCNR-UHFFFAOYSA-N 1 0 376.464 2.702 20 0 GFADRO CC[N@@H+]1CC[C@@H](CNC(=O)c2ccccc2-c2ccccc2-c2nn[nH]n2)C1 ZINC000736565067 598288130 /nfs/dbraw/zinc/28/81/30/598288130.db2.gz HAQFMPLIFWWKLF-HNNXBMFYSA-N 1 0 376.464 2.605 20 0 GFADRO COc1cccc(-c2n[nH]cc2C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)c1 ZINC000737121457 598315198 /nfs/dbraw/zinc/31/51/98/598315198.db2.gz ZCDBTVUHTQPQSI-UHFFFAOYSA-N 1 0 379.399 2.694 20 0 GFADRO CCC[NH+]1CCC(NC(=S)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)CC1 ZINC000736479208 598318144 /nfs/dbraw/zinc/31/81/44/598318144.db2.gz DHULMJUICBOLTB-UHFFFAOYSA-N 1 0 379.921 2.681 20 0 GFADRO CC[NH+](CC)[C@@H](CNC(=O)NCc1ccc(-c2nn[nH]n2)cc1F)CC(C)C ZINC000736532813 598326100 /nfs/dbraw/zinc/32/61/00/598326100.db2.gz DBYUTGDMUPYLFU-MRXNPFEDSA-N 1 0 391.495 2.562 20 0 GFADRO Clc1cc(-c2nn[nH]n2)cnc1NCC1([NH+]2CCSCC2)CCCC1 ZINC000737557196 598390016 /nfs/dbraw/zinc/39/00/16/598390016.db2.gz DBCSHLBZAGCIQC-UHFFFAOYSA-N 1 0 379.921 2.689 20 0 GFADRO CC(C)N(Cc1ccc(-c2nn[nH]n2)cc1)C(=S)NCC(C)(C)C[NH+](C)C ZINC000735875038 598416745 /nfs/dbraw/zinc/41/67/45/598416745.db2.gz YIYWOBVKUBUZTE-UHFFFAOYSA-N 1 0 389.573 2.539 20 0 GFADRO CC[NH+](CC)[C@@H](CNC(=O)c1ccc(-c2nn[nH]n2)cn1)c1ccccc1Cl ZINC000736532803 598438155 /nfs/dbraw/zinc/43/81/55/598438155.db2.gz CXDJLOXOOGLPBV-KRWDZBQOSA-N 1 0 399.886 2.728 20 0 GFADRO COC1CC[NH+](C2(CNc3snc(Cl)c3-c3nn[nH]n3)CCCC2)CC1 ZINC000736966573 598469210 /nfs/dbraw/zinc/46/92/10/598469210.db2.gz VIBVNXNEMBSTJA-UHFFFAOYSA-N 1 0 397.936 2.812 20 0 GFADRO CC(C)(C)c1ccc(S(=O)(=O)CC[NH2+]Cc2cccc(-c3nn[nH]n3)c2)cc1 ZINC000735652169 598471210 /nfs/dbraw/zinc/47/12/10/598471210.db2.gz CSMRRRMMCJFMPP-UHFFFAOYSA-N 1 0 399.520 2.728 20 0 GFADRO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)c1ccccc1-c1ccccc1-c1nn[nH]n1 ZINC000738026574 598497809 /nfs/dbraw/zinc/49/78/09/598497809.db2.gz UMNXDBYOOUSCAU-MRXNPFEDSA-N 1 0 388.475 2.748 20 0 GFADRO CC[C@H](C)[N@H+](C)CC(=O)Nc1c(-c2nn[nH]n2)c(C)c(C)n1Cc1ccco1 ZINC000736321318 598507698 /nfs/dbraw/zinc/50/76/98/598507698.db2.gz BAPZNFZBMRPVTQ-LBPRGKRZSA-N 1 0 385.472 2.595 20 0 GFADRO C[C@H]([NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1ccc(Cl)c(Cl)c1 ZINC000736134158 598516835 /nfs/dbraw/zinc/51/68/35/598516835.db2.gz JTPYXUULWXOCCY-UWVGGRQHSA-N 1 0 393.282 2.763 20 0 GFADRO CC1(C)CC[C@H]([NH2+]C[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)c2ccccc21 ZINC000736210221 598530447 /nfs/dbraw/zinc/53/04/47/598530447.db2.gz HFEFGGYHEUXRRS-GUYCJALGSA-N 1 0 378.484 2.507 20 0 GFADRO CC1(C)CN(C2(C[NH2+]Cc3ccc(-c4nn[nH]n4)cc3)CCCCC2)CCO1 ZINC000736213102 598540087 /nfs/dbraw/zinc/54/00/87/598540087.db2.gz GZFPBTGKHGJUIS-UHFFFAOYSA-N 1 0 384.528 2.770 20 0 GFADRO O[C@H]1CCC[C@@H]([NH2+]Cc2cccc(OCc3ccccc3-c3nn[nH]n3)c2)C1 ZINC000738389768 598562423 /nfs/dbraw/zinc/56/24/23/598562423.db2.gz MSQFCMBSVRRKHD-MSOLQXFVSA-N 1 0 379.464 2.839 20 0 GFADRO CC(=O)N1CCCCC[C@H]1C1CC[NH+](Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000735466358 598594726 /nfs/dbraw/zinc/59/47/26/598594726.db2.gz UPFYPJPSIPQMPV-FQEVSTJZSA-N 1 0 382.512 2.870 20 0 GFADRO C[NH+](C)CCCOc1ccc(CNc2snc(Cl)c2-c2nn[nH]n2)cc1 ZINC000736766823 598674695 /nfs/dbraw/zinc/67/46/95/598674695.db2.gz FLNZOVUFZXHBOX-UHFFFAOYSA-N 1 0 393.904 2.919 20 0 GFADRO Cc1cnn(CCCCC[N@@H+]2CCCN(c3ccccc3-c3nn[nH]n3)CC2)c1 ZINC000737448887 598700764 /nfs/dbraw/zinc/70/07/64/598700764.db2.gz SBUSRYOYQTVHJY-UHFFFAOYSA-N 1 0 394.527 2.754 20 0 GFADRO CC(C)C[C@@H](CNC(=O)c1ccc(-c2nn[nH]n2)cn1)[NH2+][C@H](C)c1ccccc1 ZINC000735768861 598721574 /nfs/dbraw/zinc/72/15/74/598721574.db2.gz DMPUEJYUOWXZRW-QAPCUYQASA-N 1 0 393.495 2.757 20 0 GFADRO CCSc1ccc([C@@H](C)[NH2+]Cc2cnc3c(-c4nn[nH]n4)cnn3c2)cc1 ZINC000736664737 598728602 /nfs/dbraw/zinc/72/86/02/598728602.db2.gz CZKPRNQBWPZGPY-GFCCVEGCSA-N 1 0 380.481 2.872 20 0 GFADRO c1cc(C[NH+]2CCC(Oc3ccc(-c4nn[nH]n4)cc3)CC2)c2c(c1)OCCO2 ZINC000738412763 598765986 /nfs/dbraw/zinc/76/59/86/598765986.db2.gz MXYNBNWESXYYDV-UHFFFAOYSA-N 1 0 393.447 2.681 20 0 GFADRO C[C@@H](c1ccc(-c2nn[nH]n2)cc1)[N@H+](C)C[C@@H](c1cccs1)N1CCOCC1 ZINC000736195982 599316104 /nfs/dbraw/zinc/31/61/04/599316104.db2.gz IJUHFTLGSPTYAV-YJBOKZPZSA-N 1 0 398.536 2.995 20 0 GFADRO COc1ccc([C@H]2[C@H](COC(=O)c3ccc(-c4nn[nH]n4)cc3)CC[N@@H+]2C)cc1 ZINC000737076753 599359981 /nfs/dbraw/zinc/35/99/81/599359981.db2.gz OVKICHPOVXMZIA-HKUYNNGSSA-N 1 0 393.447 2.725 20 0 GFADRO COc1ccc(CC[NH2+][C@H](C)c2ccc(-c3nn[nH]n3)cc2)c(OC)c1OC ZINC000821789818 599373889 /nfs/dbraw/zinc/37/38/89/599373889.db2.gz AFGWDOCVTYUXFN-CYBMUJFWSA-N 1 0 383.452 2.786 20 0 GFADRO CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)C(=O)Nc2ccccc2-c2nn[nH]n2)C12CCCC2 ZINC000821360827 599387315 /nfs/dbraw/zinc/38/73/15/599387315.db2.gz SPXFGFKPYQNYJB-IAOVAPTHSA-N 1 0 384.484 2.521 20 0 GFADRO Cc1ccccc1CCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1 ZINC000822356103 599388985 /nfs/dbraw/zinc/38/89/85/599388985.db2.gz JLQRAUOFBQKIOU-JKSUJKDBSA-N 1 0 378.480 2.573 20 0 GFADRO C[C@@H]([NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1)C(=O)NCc1ccccc1Cl ZINC000820411639 599389495 /nfs/dbraw/zinc/38/94/95/599389495.db2.gz IZMZPEDSRIZMDM-QWHCGFSZSA-N 1 0 384.871 2.876 20 0 GFADRO CCCCNC(=O)c1ccc(C[NH2+]Cc2ccc(OC)c(-c3nn[nH]n3)c2)cc1 ZINC000821071358 599403222 /nfs/dbraw/zinc/40/32/22/599403222.db2.gz BTTXRLJIYWCNFA-UHFFFAOYSA-N 1 0 394.479 2.695 20 0 GFADRO FC(F)(F)c1ccc(N2CCC([NH2+]Cc3ccc(-c4nn[nH]n4)o3)CC2)nc1 ZINC000822724094 599404297 /nfs/dbraw/zinc/40/42/97/599404297.db2.gz ZAARGNFNZNRGPS-UHFFFAOYSA-N 1 0 393.373 2.632 20 0 GFADRO COc1ccc(C[NH2+][C@@H](C)c2ccc3c(c2)CCC(=O)N3)cc1-c1nn[nH]n1 ZINC000821804316 599406259 /nfs/dbraw/zinc/40/62/59/599406259.db2.gz LJGPLORTPZJXRH-LBPRGKRZSA-N 1 0 378.436 2.611 20 0 GFADRO COc1ccc(C[NH2+]C[C@H](NC(=O)OC(C)(C)C)C(C)C)cc1-c1nn[nH]n1 ZINC000821809169 599439109 /nfs/dbraw/zinc/43/91/09/599439109.db2.gz MNAFCTIHTIJIKO-HNNXBMFYSA-N 1 0 390.488 2.514 20 0 GFADRO CSCC[C@H](C)[N@H+](C)CCC(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2 ZINC000737175962 599448881 /nfs/dbraw/zinc/44/88/81/599448881.db2.gz KARJJSPYZHTRKR-NSHDSACASA-N 1 0 394.570 2.819 20 0 GFADRO C[C@@H]1C[C@@H]1[C@H]([NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1ccc(Cl)cc1 ZINC000820666192 599451123 /nfs/dbraw/zinc/45/11/23/599451123.db2.gz HFCFLKGOZRUIMU-BKBUGSPTSA-N 1 0 398.902 2.745 20 0 GFADRO COc1ccc(C[NH2+][C@H]2CCCN(c3ccc(C)cc3)C2)cc1-c1nn[nH]n1 ZINC000821804260 599454475 /nfs/dbraw/zinc/45/44/75/599454475.db2.gz KKHOWWREXAFKLJ-KRWDZBQOSA-N 1 0 378.480 2.942 20 0 GFADRO O=C(CC[N@H+]1CC[C@H](Cc2ccc(F)cc2)C1)Nc1cccc(-c2nn[nH]n2)c1 ZINC000737838226 599478269 /nfs/dbraw/zinc/47/82/69/599478269.db2.gz KTISWWRZDQUPOQ-MRXNPFEDSA-N 1 0 394.454 2.899 20 0 GFADRO CC[NH+]1CCN(c2ccc(CNc3c(Cl)cccc3-c3nn[nH]n3)cn2)CC1 ZINC000821277429 599480102 /nfs/dbraw/zinc/48/01/02/599480102.db2.gz SNNLBBWKHBYGIE-UHFFFAOYSA-N 1 0 398.902 2.669 20 0 GFADRO C[C@H](NC(=O)NC[C@H](c1ccccc1)[NH+](C)C)c1cccc(-c2nn[nH]n2)c1 ZINC000820356596 599483439 /nfs/dbraw/zinc/48/34/39/599483439.db2.gz AFMGHVZDAMHXEE-KBXCAEBGSA-N 1 0 379.468 2.530 20 0 GFADRO Fc1ccc(OCCCC[NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)cc1 ZINC000737657458 599484912 /nfs/dbraw/zinc/48/49/12/599484912.db2.gz VRBBQEHHVTUEIV-UHFFFAOYSA-N 1 0 381.415 2.602 20 0 GFADRO c1nc2ccc(-c3nn[nH]n3)cn2c1C[NH2+]Cc1ccnc(OC2CCCC2)c1 ZINC000738413808 599486016 /nfs/dbraw/zinc/48/60/16/599486016.db2.gz XLXSQSBZLRISQN-UHFFFAOYSA-N 1 0 390.451 2.521 20 0 GFADRO CCOCC[N@@H+]1CCN(c2ccc(-c3nn[nH]n3)cc2C(F)(F)F)C[C@@H]1CC ZINC000736623410 599523999 /nfs/dbraw/zinc/52/39/99/599523999.db2.gz GUHNOZHVJAESDO-AWEZNQCLSA-N 1 0 398.433 2.823 20 0 GFADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2cc(-c3nn[nH]n3)cn2C(C)(C)C)C1 ZINC000821088323 599555404 /nfs/dbraw/zinc/55/54/04/599555404.db2.gz LAHFKFUSANENOM-AWEZNQCLSA-N 1 0 388.520 2.619 20 0 GFADRO Cc1ccccc1[C@@H]1C[C@@H](C)[N@@H+](CC(=O)Nc2cccc(-c3nn[nH]n3)c2)C1 ZINC000737422608 599585080 /nfs/dbraw/zinc/58/50/80/599585080.db2.gz QJCJFCAOPGEISN-NVXWUHKLSA-N 1 0 376.464 2.992 20 0 GFADRO Cc1ccccc1[C@@H]1C[C@H](C)[N@@H+](CC(=O)NCc2cccc(-c3nn[nH]n3)c2)C1 ZINC000737424309 599585218 /nfs/dbraw/zinc/58/52/18/599585218.db2.gz XBZCAAXGIJLDSB-QFBILLFUSA-N 1 0 390.491 2.669 20 0 GFADRO C[C@@H]1C[C@H](c2ccccc2F)[N@H+](C[C@@H](O)COc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000820668536 599585507 /nfs/dbraw/zinc/58/55/07/599585507.db2.gz UKVXMLFKLHQUBY-AKCHCHLHSA-N 1 0 397.454 2.829 20 0 GFADRO CC(C)(C)OC(=O)NC[C@@H]1CCC[N@@H+]1Cc1cn2ccccc2c1-c1nn[nH]n1 ZINC000819939789 599589484 /nfs/dbraw/zinc/58/94/84/599589484.db2.gz JRBFXMFIGUPTAG-HNNXBMFYSA-N 1 0 397.483 2.609 20 0 GFADRO O=C(c1ccc(F)cc1)[C@@H]1CCC[N@H+](CCOc2ccccc2-c2nn[nH]n2)C1 ZINC000738266638 599592988 /nfs/dbraw/zinc/59/29/88/599592988.db2.gz JGUWVOIRPVJSKX-MRXNPFEDSA-N 1 0 395.438 2.980 20 0 GFADRO C[NH+](C)CCN(CC1CCCCC1)C(=O)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000736767654 599611664 /nfs/dbraw/zinc/61/16/64/599611664.db2.gz SASKQPPHORQPAZ-UHFFFAOYSA-N 1 0 385.516 2.520 20 0 GFADRO C[C@H](NC(=O)NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1)c1cccc(-c2nn[nH]n2)c1 ZINC000820697654 599671918 /nfs/dbraw/zinc/67/19/18/599671918.db2.gz JWQZSESCZIARLA-QEEYODRMSA-N 1 0 385.516 2.737 20 0 GFADRO Clc1cc(N2CCC(OCC[NH+]3CCCC3)CC2)ccc1-c1nn[nH]n1 ZINC000822568619 599689186 /nfs/dbraw/zinc/68/91/86/599689186.db2.gz UEDSFVNLAPQMNE-UHFFFAOYSA-N 1 0 376.892 2.601 20 0 GFADRO Cc1ccc(N2CCC[N@H+](Cc3cnc4ccc(-c5nn[nH]n5)cn34)CC2)cc1 ZINC000822242491 607389034 /nfs/dbraw/zinc/38/90/34/607389034.db2.gz MRNBSBHFCGZPDR-UHFFFAOYSA-N 1 0 388.479 2.535 20 0 GFADRO Cc1cccc(NC[C@@H]2CC[N@@H+]([C@@H](C)C(=O)NCc3ccc(C(=O)[O-])cc3)C2)[nH+]1 ZINC000738736486 600095420 /nfs/dbraw/zinc/09/54/20/600095420.db2.gz NOWTXBIBQUWDHF-WMZOPIPTSA-N 1 0 396.491 2.527 20 0 GFADRO CC[C@H](Cc1ccccc1)[N@H+](C)CC(=O)Nc1oc(C)c(C)c1-c1nn[nH]n1 ZINC000820913527 607452459 /nfs/dbraw/zinc/45/24/59/607452459.db2.gz IFBRTRDAZKTIDK-MRXNPFEDSA-N 1 0 382.468 2.968 20 0 GFADRO c1ccc2c(c1)ncc(-c1nn[nH]n1)c2N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000823792012 607470838 /nfs/dbraw/zinc/47/08/38/607470838.db2.gz MMIRHEYNYMQDLQ-LIRRHRJNSA-N 1 0 375.480 2.868 20 0 GFADRO C[C@H]([C@H]1Cc2ccccc2O1)[N@H+](C)CCC(=O)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000824378124 607472580 /nfs/dbraw/zinc/47/25/80/607472580.db2.gz ZCFCOYJHCVJRIM-AUUYWEPGSA-N 1 0 392.463 2.519 20 0 GFADRO CC[C@H](O)C[N@H+](CCOc1ccc(-c2nn[nH]n2)cc1OC)Cc1ccccc1 ZINC000825154562 607473475 /nfs/dbraw/zinc/47/34/75/607473475.db2.gz QLYQKTIUYPTCAL-SFHVURJKSA-N 1 0 397.479 2.527 20 0 GFADRO CC(C)[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)NC(=O)OC(C)(C)C ZINC000820021814 607481841 /nfs/dbraw/zinc/48/18/41/607481841.db2.gz YZIQUUIKVNXPNV-HNNXBMFYSA-N 1 0 378.452 2.645 20 0 GFADRO CCN1C[C@H](C[N@H+](C)Cc2ccc(OC)c(-c3nn[nH]n3)c2)Oc2ccccc21 ZINC000825450817 607481890 /nfs/dbraw/zinc/48/18/90/607481890.db2.gz DJMNSBIWGZXZAB-INIZCTEOSA-N 1 0 394.479 2.595 20 0 GFADRO COc1ccc(C[NH+]2CCC(C(=O)c3ccc(O)cc3)CC2)cc1-c1nn[nH]n1 ZINC000826193587 607517223 /nfs/dbraw/zinc/51/72/23/607517223.db2.gz ILSXCHSPYXQHAE-UHFFFAOYSA-N 1 0 393.447 2.676 20 0 GFADRO COCC[N@H+](CCCc1ccccc1)Cc1cc(-c2nn[nH]n2)ccc1OC ZINC000826158163 607519403 /nfs/dbraw/zinc/51/94/03/607519403.db2.gz DKKYUNIUABEATM-UHFFFAOYSA-N 1 0 381.480 2.957 20 0 GFADRO COc1cccc(C(C)(C)C[NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)c1 ZINC000826214791 607539779 /nfs/dbraw/zinc/53/97/79/607539779.db2.gz XEHOOXAAABIVOZ-UHFFFAOYSA-N 1 0 377.452 2.590 20 0 GFADRO Cn1cc(C[N@H+](C)Cc2cn3ccccc3c2-c2nn[nH]n2)c(C(F)(F)F)n1 ZINC000825991714 607554954 /nfs/dbraw/zinc/55/49/54/607554954.db2.gz IGKATMRMUGGFIJ-UHFFFAOYSA-N 1 0 390.373 2.504 20 0 GFADRO C[C@@H]([NH2+]Cc1ccc(NC(=O)[O-])nc1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000825501097 603549007 /nfs/dbraw/zinc/54/90/07/603549007.db2.gz BPSLSQBXFPEEJC-CQSZACIVSA-N 1 0 387.459 2.913 20 0 GFADRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)Nc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000824777885 607674794 /nfs/dbraw/zinc/67/47/94/607674794.db2.gz KYQNAYFMYPGUTA-CQSZACIVSA-N 1 0 392.467 2.609 20 0 GFADRO Cc1ccc([C@H](CNC(=O)c2ccc(-c3nn[nH]n3)cc2C)[NH+]2CCCC2)o1 ZINC000826283944 607680592 /nfs/dbraw/zinc/68/05/92/607680592.db2.gz GDEFBGPAPSJECO-KRWDZBQOSA-N 1 0 380.452 2.643 20 0 GFADRO O=C([O-])CCC[NH+]1CCC([NH2+]CCOc2ccc(Br)cc2)CC1 ZINC000833773732 605226450 /nfs/dbraw/zinc/22/64/50/605226450.db2.gz QGJWZXRMMBTORM-UHFFFAOYSA-N 1 0 385.302 2.747 20 0 GFADRO CCOC(=O)CC[C@H]1CCC[N@H+](CCCOc2cccc(-c3nn[nH]n3)c2)C1 ZINC000825506190 607748021 /nfs/dbraw/zinc/74/80/21/607748021.db2.gz GXEQZDDVHHYSCM-MRXNPFEDSA-N 1 0 387.484 2.691 20 0 GFADRO c1ccc2c(c1)OCC[C@@H]2C[NH2+]C1CCN(c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826524153 607750066 /nfs/dbraw/zinc/75/00/66/607750066.db2.gz LBMUGHLXPZVMQH-QGZVFWFLSA-N 1 0 390.491 2.991 20 0 GFADRO O=C([O-])NC[C@@H]1CCCC[C@H]1[NH2+]CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000834224480 605611553 /nfs/dbraw/zinc/61/15/53/605611553.db2.gz YKGWIQQTZYXJIZ-HBMCJLEFSA-N 1 0 389.540 2.848 20 0 GFADRO O=C([O-])NC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1 ZINC000834222679 605623563 /nfs/dbraw/zinc/62/35/63/605623563.db2.gz PFPZONYGLBBSBG-PXNSSMCTSA-N 1 0 375.513 2.559 20 0 GFADRO O=C([O-])N[C@@H]1C[C@H]([NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)c2ccccc21 ZINC000834157105 605915851 /nfs/dbraw/zinc/91/58/51/605915851.db2.gz FYOVSHZCYVFUCM-DZFGPLHGSA-N 1 0 381.476 2.797 20 0 GFADRO CC[C@H]([NH2+][C@H](C)C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)C1CCOCC1 ZINC000820921075 606048251 /nfs/dbraw/zinc/04/82/51/606048251.db2.gz VLXSBXHVRZFHDQ-BZNIZROVSA-N 1 0 392.891 2.642 20 0 GFADRO C[N@H+](CCOc1cccc(-c2nn[nH]n2)c1)[C@H]1CCCN(c2ccccc2)C1 ZINC000821605209 606077391 /nfs/dbraw/zinc/07/73/91/606077391.db2.gz ZLTKMPKPFPHJDI-IBGZPJMESA-N 1 0 378.480 2.846 20 0 GFADRO Cn1cccc1[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1ccccc1-c1nn[nH]n1 ZINC000822693337 606113503 /nfs/dbraw/zinc/11/35/03/606113503.db2.gz BASPIXZCGCCXGC-SFHVURJKSA-N 1 0 379.468 2.761 20 0 GFADRO C[N@H+](Cc1ccc(F)cc1-c1nn[nH]n1)CC(C)(C)CNC(=O)OC(C)(C)C ZINC000821610926 606159772 /nfs/dbraw/zinc/15/97/72/606159772.db2.gz KLTHIQTYZVBYGL-UHFFFAOYSA-N 1 0 392.479 2.989 20 0 GFADRO COCCOCC[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)Cc1cccc(F)c1 ZINC000821692985 606185448 /nfs/dbraw/zinc/18/54/48/606185448.db2.gz MKKFAAXELQBYIO-UHFFFAOYSA-N 1 0 385.443 2.671 20 0 GFADRO C[C@H]1C[C@H](NC(=O)Cc2ccc(-c3nn[nH]n3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000820657996 606187598 /nfs/dbraw/zinc/18/75/98/606187598.db2.gz NXIRYKBPTKVSRM-OXJNMPFZSA-N 1 0 390.491 2.579 20 0 GFADRO COc1cc(NC2CC[NH+](Cc3cccc(-c4nn[nH]n4)c3)CC2)cc(OC)c1 ZINC000821720218 606195792 /nfs/dbraw/zinc/19/57/92/606195792.db2.gz PHNUTFQNGJDIJA-UHFFFAOYSA-N 1 0 394.479 2.960 20 0 GFADRO Clc1cc(CC[NH2+]Cc2cc(-c3nn[nH]n3)cs2)cc2c1OCCO2 ZINC000822568817 606208944 /nfs/dbraw/zinc/20/89/44/606208944.db2.gz XSDDUPIRYNYOPX-UHFFFAOYSA-N 1 0 377.857 2.685 20 0 GFADRO CC(C)C[C@@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)[NH2+][C@@H](C)c1ccccc1 ZINC000820057363 606272165 /nfs/dbraw/zinc/27/21/65/606272165.db2.gz ZCKDGVZMCYSQJD-YOEHRIQHSA-N 1 0 381.484 2.690 20 0 GFADRO CC[NH+](CC)[C@H](CNC(=O)Nc1ccc(F)cc1-c1nn[nH]n1)c1ccco1 ZINC000821180446 606345890 /nfs/dbraw/zinc/34/58/90/606345890.db2.gz CLRPFPABTRUGBK-OAHLLOKOSA-N 1 0 387.419 2.803 20 0 GFADRO COc1cc([C@H](C)[NH2+]Cc2ccc(-c3nn[nH]n3)s2)cc(OC)c1OC ZINC000821708403 606409331 /nfs/dbraw/zinc/40/93/31/606409331.db2.gz PBKPNZMDENYAAR-JTQLQIEISA-N 1 0 375.454 2.805 20 0 GFADRO CCOc1c(OC)cc(C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)cc1OC ZINC000821388985 606414885 /nfs/dbraw/zinc/41/48/85/606414885.db2.gz DGHJAPJYXJQWBA-UHFFFAOYSA-N 1 0 375.454 2.634 20 0 GFADRO CC(C)(C)OC(=O)N1CC[C@@H](CC[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC000819933325 606417871 /nfs/dbraw/zinc/41/78/71/606417871.db2.gz NPZNCMKZUXDXOA-GFCCVEGCSA-N 1 0 378.502 2.665 20 0 GFADRO O[C@H](COc1ccc(-c2nn[nH]n2)cc1)C[N@@H+]1CCCC[C@@H]1c1ccc(F)cc1 ZINC000823696734 606455952 /nfs/dbraw/zinc/45/59/52/606455952.db2.gz GYSUIPFJGHPKJB-AZUAARDMSA-N 1 0 397.454 2.973 20 0 GFADRO FC(F)(F)[C@@H]1CCC[C@@H](C[NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)C1 ZINC000822713964 606475591 /nfs/dbraw/zinc/47/55/91/606475591.db2.gz DGJFEFUCGBICKR-DGCLKSJQSA-N 1 0 379.390 2.973 20 0 GFADRO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000821189202 606482110 /nfs/dbraw/zinc/48/21/10/606482110.db2.gz IWAHUGDAXRXYOV-UHFFFAOYSA-N 1 0 399.421 2.995 20 0 GFADRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000820760507 606483571 /nfs/dbraw/zinc/48/35/71/606483571.db2.gz RDUYTSFGRCQBJV-BEFAXECRSA-N 1 0 391.479 2.899 20 0 GFADRO Oc1ccc2c(c1)CC[N@@H+](Cc1ccc(-c3nn[nH]n3)cc1OC(F)F)CC2 ZINC000823731891 606488217 /nfs/dbraw/zinc/48/82/17/606488217.db2.gz HEWLKEFUMKTSJT-UHFFFAOYSA-N 1 0 387.390 2.775 20 0 GFADRO C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1Cc1ccc(-c2nn[nH]n2)cc1OC(F)F ZINC000820803965 606494419 /nfs/dbraw/zinc/49/44/19/606494419.db2.gz KIWFMIYQZQLAHB-SWLSCSKDSA-N 1 0 378.427 2.527 20 0 GFADRO O=C(NCC1CC[NH+](Cc2ccccc2)CC1)c1ccc(-c2nn[nH]n2)s1 ZINC000823175458 606535776 /nfs/dbraw/zinc/53/57/76/606535776.db2.gz IXFPTWCIDGIVEG-UHFFFAOYSA-N 1 0 382.493 2.570 20 0 GFADRO O=C(NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1ccc(-c2nn[nH]n2)s1 ZINC000823175438 606542024 /nfs/dbraw/zinc/54/20/24/606542024.db2.gz IOGHQSAWAKAYHP-LBPRGKRZSA-N 1 0 388.522 2.632 20 0 GFADRO CCCC[N@H+](C)CC1CCN(C(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)CC1 ZINC000821061697 606684266 /nfs/dbraw/zinc/68/42/66/606684266.db2.gz SERFGVHCJCQIDY-UHFFFAOYSA-N 1 0 392.454 2.729 20 0 GFADRO C[C@@H]1CCc2c(sc(NC(=O)CC[N@@H+]3C[C@@H]4CCC[C@H]43)c2-c2nn[nH]n2)C1 ZINC000820727081 606750068 /nfs/dbraw/zinc/75/00/68/606750068.db2.gz GLQXBVINAOZUIM-MBNYWOFBSA-N 1 0 386.525 2.866 20 0 GFADRO CC(C)(C)OC(=O)C[C@H]1CCC[N@H+](CCOc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000819927982 606753053 /nfs/dbraw/zinc/75/30/53/606753053.db2.gz FCYXQHJVAXLWGP-OAHLLOKOSA-N 1 0 387.484 2.689 20 0 GFADRO Cc1cc(-c2nn[nH]n2)ccc1Oc1ccc(C(=O)N[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000822145346 606791174 /nfs/dbraw/zinc/79/11/74/606791174.db2.gz QQPWLDDVNFKQLX-QGZVFWFLSA-N 1 0 392.463 2.791 20 0 GFADRO CN(C(=O)CCc1ccc(-c2nn[nH]n2)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000821569172 606812355 /nfs/dbraw/zinc/81/23/55/606812355.db2.gz AYGILJQMMRTKQV-FQEVSTJZSA-N 1 0 390.491 2.532 20 0 GFADRO C[N@@H+](Cc1ccc(Br)cc1)C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821609981 606844388 /nfs/dbraw/zinc/84/43/88/606844388.db2.gz UQTXEKBADJGABU-MRXNPFEDSA-N 1 0 388.269 2.795 20 0 GFADRO COc1ccc(OC)c(C[N@H+](C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)C2CC2)c1 ZINC000821842594 606853228 /nfs/dbraw/zinc/85/32/28/606853228.db2.gz SSUXXDCENUWCPQ-LJQANCHMSA-N 1 0 395.463 2.582 20 0 GFADRO O[C@H](C[NH2+]Cc1cc(Br)cs1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823682209 606854711 /nfs/dbraw/zinc/85/47/11/606854711.db2.gz OJYZQGKCTLYKBY-CYBMUJFWSA-N 1 0 380.271 2.514 20 0 GFADRO Cc1nnc(N2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)c(-c2nn[nH]n2)c1C ZINC000822510059 606878598 /nfs/dbraw/zinc/87/85/98/606878598.db2.gz IFNITSAFIIIISV-CQSZACIVSA-N 1 0 384.532 2.754 20 0 GFADRO COCC[N@@H+](Cc1ccc(C)cc1C)C[C@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821690762 606889951 /nfs/dbraw/zinc/88/99/51/606889951.db2.gz ZFJLPWOVEIFZAE-FQEVSTJZSA-N 1 0 381.480 2.666 20 0 GFADRO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1cc(-c2nn[nH]n2)ccc1OC(C)C ZINC000820993715 606916030 /nfs/dbraw/zinc/91/60/30/606916030.db2.gz ARITUQKIFMAZFU-JKSUJKDBSA-N 1 0 399.499 2.744 20 0 GFADRO O=C(C[C@@H]1CCC[N@H+]1C[C@H](O)c1ccc(-c2nn[nH]n2)cc1)c1cccs1 ZINC000822946189 606930041 /nfs/dbraw/zinc/93/00/41/606930041.db2.gz WULPQESYTBZRRU-RDJZCZTQSA-N 1 0 383.477 2.699 20 0 GFADRO CNC(=O)c1ccc(C[N@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C2CC2)cc1 ZINC000821635355 606961785 /nfs/dbraw/zinc/96/17/85/606961785.db2.gz YMFLEWZTAOHXFR-UHFFFAOYSA-N 1 0 380.427 2.530 20 0 GFADRO CC(C)(Oc1ccc(-c2nn[nH]n2)cc1)C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000819991643 607001441 /nfs/dbraw/zinc/00/14/41/607001441.db2.gz KDBFRFOKPFTBLC-UHFFFAOYSA-N 1 0 398.511 2.501 20 0 GFADRO C[C@@H]([NH2+][C@@H](C)CC(=O)Nc1cccnc1Cl)c1ccc(-c2nn[nH]n2)cc1 ZINC000820225787 607012275 /nfs/dbraw/zinc/01/22/75/607012275.db2.gz PJBZIUDZFCRHOB-NWDGAFQWSA-N 1 0 385.859 2.983 20 0 GFADRO O=C(Nc1ccc(F)cc1)C1CC[NH+](Cc2cc(F)ccc2-c2nn[nH]n2)CC1 ZINC000823337858 607063665 /nfs/dbraw/zinc/06/36/65/607063665.db2.gz UNHZMGDUJMWOAY-UHFFFAOYSA-N 1 0 398.417 2.996 20 0 GFADRO Cc1nc2ccccn2c1C[NH+]1CCC(Oc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000822462672 607064724 /nfs/dbraw/zinc/06/47/24/607064724.db2.gz LJXBQWQASKOPHV-UHFFFAOYSA-N 1 0 389.463 2.866 20 0 GFADRO CN(C(=O)c1ccccc1-c1ccccc1-c1nn[nH]n1)C1CC[NH+](C)CC1 ZINC000821622008 607101439 /nfs/dbraw/zinc/10/14/39/607101439.db2.gz OUHPURDWIGUXLR-UHFFFAOYSA-N 1 0 376.464 2.700 20 0 GFADRO C[NH+](C)CCN(Cc1ccccc1F)c1ccc(Cl)c(-c2nn[nH]n2)n1 ZINC000821586031 607114175 /nfs/dbraw/zinc/11/41/75/607114175.db2.gz GKRQIBAXKGDJLD-UHFFFAOYSA-N 1 0 375.839 2.622 20 0 GFADRO O=C(CC[N@@H+]1CCC[C@@H](Nc2ccccc2)C1)Nc1ccccc1-c1nn[nH]n1 ZINC000822965074 607178111 /nfs/dbraw/zinc/17/81/11/607178111.db2.gz ZCCJFPUIRLTCTH-QGZVFWFLSA-N 1 0 391.479 2.772 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccc(-c3nn[nH]n3)cc2Cl)[C@H](C)C1 ZINC000821254169 607197279 /nfs/dbraw/zinc/19/72/79/607197279.db2.gz KAHOPMONTDNNPD-ABAIWWIYSA-N 1 0 377.880 2.714 20 0 GFADRO C[C@@H]1C[C@@H](CCNC(=O)c2sccc2-c2nn[nH]n2)C[N@@H+]1Cc1ccccc1 ZINC000824885365 607803046 /nfs/dbraw/zinc/80/30/46/607803046.db2.gz SILJKZCIZUDHKS-GDBMZVCRSA-N 1 0 396.520 2.959 20 0 GFADRO C[N@H+](Cc1ccccc1)CC(C)(C)NC(=O)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000825980530 607836646 /nfs/dbraw/zinc/83/66/46/607836646.db2.gz CZZXJPCRLIJGEH-UHFFFAOYSA-N 1 0 393.495 2.577 20 0 GFADRO Clc1ccc(N2CC[C@@H](OCC[NH+]3CCCCC3)C2)c(-c2nn[nH]n2)c1 ZINC000826352230 607849914 /nfs/dbraw/zinc/84/99/14/607849914.db2.gz TUBUUOWLEQCSFH-OAHLLOKOSA-N 1 0 376.892 2.601 20 0 GFADRO CC[C@@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1c1cccc(-c2nn[nH]n2)n1 ZINC000825058833 607903111 /nfs/dbraw/zinc/90/31/11/607903111.db2.gz AOGCMQZYWDBFRW-BEFAXECRSA-N 1 0 392.511 2.702 20 0 GFADRO COc1ccc(C[NH2+][C@@H](C)c2cnn(Cc3ccccc3)c2)cc1-c1nn[nH]n1 ZINC000826202063 607910943 /nfs/dbraw/zinc/91/09/43/607910943.db2.gz NBLRNDHCELPMJP-HNNXBMFYSA-N 1 0 389.463 2.971 20 0 GFADRO CC[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000825210015 607942133 /nfs/dbraw/zinc/94/21/33/607942133.db2.gz DSIGVRSJJFTHDN-NVXWUHKLSA-N 1 0 386.500 2.992 20 0 GFADRO O=C([C@H]1CCC[N@H+](Cc2ccccc2)C1)N1CCc2ccc(-c3nn[nH]n3)cc21 ZINC000826399261 607946639 /nfs/dbraw/zinc/94/66/39/607946639.db2.gz QXWINIIMOJZURJ-IBGZPJMESA-N 1 0 388.475 2.668 20 0 GFADRO c1ccc(C[NH+]2CCC(Nc3ccc4cc(-c5nn[nH]n5)ccc4n3)CC2)nc1 ZINC000826521561 607989360 /nfs/dbraw/zinc/98/93/60/607989360.db2.gz QWASIDISZCSFDH-UHFFFAOYSA-N 1 0 386.463 2.886 20 0 GFADRO C[N@@H+]1CCC[C@H]1[C@@H]1CCCN1c1ccc(-c2nn[nH]n2)cc1Br ZINC000826033922 608049196 /nfs/dbraw/zinc/04/91/96/608049196.db2.gz KVPGFKRMRLYCOI-GJZGRUSLSA-N 1 0 377.290 2.692 20 0 GFADRO COc1ccc([C@@](C)(O)[C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2-c2nn[nH]n2)cc1 ZINC000826188473 608064334 /nfs/dbraw/zinc/06/43/34/608064334.db2.gz XZRDUVZVYDHEMC-PZJWPPBQSA-N 1 0 397.454 2.887 20 0 GFADRO COc1ccc(C[NH2+][C@H]2CCCN(c3ccccc3F)C2)cc1-c1nn[nH]n1 ZINC000826203026 608101053 /nfs/dbraw/zinc/10/10/53/608101053.db2.gz WSTNXXLGFBAWBA-HNNXBMFYSA-N 1 0 382.443 2.773 20 0 GFADRO C[C@H]([NH2+][C@H]1CCCN(c2ccccc2F)C1=O)c1cccc(-c2nn[nH]n2)c1 ZINC000824547857 608110751 /nfs/dbraw/zinc/11/07/51/608110751.db2.gz SZMUJSNNSMPWNH-GUYCJALGSA-N 1 0 380.427 2.852 20 0 GFADRO Cc1ccc([C@H]2CC[N@H+](CCC(=O)Nc3cccc(-c4nn[nH]n4)c3)C2)cc1 ZINC000826286338 608127609 /nfs/dbraw/zinc/12/76/09/608127609.db2.gz YXHXVYTYSIPSMX-SFHVURJKSA-N 1 0 376.464 2.993 20 0 GFADRO CCC(CC)(C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1OC(F)F)C(=O)OC ZINC000825089915 608167697 /nfs/dbraw/zinc/16/76/97/608167697.db2.gz OYQZIQMYVAZMLO-UHFFFAOYSA-N 1 0 383.399 2.537 20 0 GFADRO CC(=O)N1CC[N@H+](CCCOc2cccc(-c3nn[nH]n3)c2)CC12CCCCC2 ZINC000823981694 608255202 /nfs/dbraw/zinc/25/52/02/608255202.db2.gz PGIZROICINIDRI-UHFFFAOYSA-N 1 0 398.511 2.503 20 0 GFADRO C[C@@H]1CN(C(=O)Nc2ccc(-c3nn[nH]n3)cc2)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC000824977874 608265057 /nfs/dbraw/zinc/26/50/57/608265057.db2.gz SPDSKVZBVBWPRS-CVEARBPZSA-N 1 0 391.479 2.993 20 0 GFADRO C[C@@H]([NH2+]CCOc1ccc(-c2nn[nH]n2)cc1)c1ccc2c(c1)OCCCO2 ZINC000824598940 608279804 /nfs/dbraw/zinc/27/98/04/608279804.db2.gz JZAAGLZCDSWXSW-CQSZACIVSA-N 1 0 381.436 2.758 20 0 GFADRO C[C@H]([NH2+][C@H]1CC(=O)N(Cc2ccccc2)[C@H]1C)c1ccc(-c2nn[nH]n2)cc1 ZINC000824540531 608279856 /nfs/dbraw/zinc/27/98/56/608279856.db2.gz ZSVRWYKUGBHIPS-DOXZYTNZSA-N 1 0 376.464 2.707 20 0 GFADRO O=C1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CN1c1ccc(Cl)c(F)c1 ZINC000826478978 608310635 /nfs/dbraw/zinc/31/06/35/608310635.db2.gz NNNCUQMGUXUSPU-SECBINFHSA-N 1 0 392.847 2.616 20 0 GFADRO C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1C(=O)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000824966430 608310853 /nfs/dbraw/zinc/31/08/53/608310853.db2.gz BAWHPOVOCWQKFU-IAGOWNOFSA-N 1 0 390.491 2.531 20 0 GFADRO C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1C(=O)Cc1cccc(-c2nn[nH]n2)c1 ZINC000824970417 608310930 /nfs/dbraw/zinc/31/09/30/608310930.db2.gz XCVLUCZXSZXLTI-IAGOWNOFSA-N 1 0 390.491 2.531 20 0 GFADRO C[N@@H+]1CCN(C(=O)c2cccc(Oc3ccc(-c4nn[nH]n4)cc3)c2)C(C)(C)C1 ZINC000826038057 608316160 /nfs/dbraw/zinc/31/61/60/608316160.db2.gz HTGZHCBRVRTKFY-UHFFFAOYSA-N 1 0 392.463 2.825 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)Cc2c(-c3nn[nH]n3)c(C)nn2-c2ccccc2)[C@H](C)C1 ZINC000825451839 608316968 /nfs/dbraw/zinc/31/69/68/608316968.db2.gz LFEFOSQCKIMOLP-CRAIPNDOSA-N 1 0 394.527 2.523 20 0 GFADRO COc1cc(-c2nn[nH]n2)ccc1C[NH+]1CCC(C(=O)c2ccccc2)CC1 ZINC000826168197 608352992 /nfs/dbraw/zinc/35/29/92/608352992.db2.gz FMEYUOYIBFRWSJ-UHFFFAOYSA-N 1 0 377.448 2.970 20 0 GFADRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(c2nc3c(cc2-c2nn[nH]n2)CCCC3)C1 ZINC000824906952 608369338 /nfs/dbraw/zinc/36/93/38/608369338.db2.gz FZZNTRXYUBNSFI-HLLBOEOZSA-N 1 0 381.528 2.982 20 0 GFADRO COc1cc(-c2nn[nH]n2)ccc1C[NH+]1CCC(C(=O)NC2CCCCC2)CC1 ZINC000826168152 608370374 /nfs/dbraw/zinc/37/03/74/608370374.db2.gz DMOKACWQLRDNAY-UHFFFAOYSA-N 1 0 398.511 2.536 20 0 GFADRO C[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)[C@H](CO)c1cccc(Br)c1 ZINC000825958382 608380543 /nfs/dbraw/zinc/38/05/43/608380543.db2.gz UEOURJNOBPYQLG-MRXNPFEDSA-N 1 0 388.269 2.795 20 0 GFADRO COc1ccc([C@@H](C)[NH2+]CC(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)cc1 ZINC000826188377 608431745 /nfs/dbraw/zinc/43/17/45/608431745.db2.gz VMIIDSVKXXQEMX-LLVKDONJSA-N 1 0 386.843 2.818 20 0 GFADRO CC(=O)Nc1cccc([C@@H](C)[NH2+]CCC(=O)Nc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000824005104 608432749 /nfs/dbraw/zinc/43/27/49/608432749.db2.gz KLZVNZLRRPLRST-CYBMUJFWSA-N 1 0 393.451 2.505 20 0 GFADRO COc1cc([C@@H](C)[NH2+]CCOc2cccc(-c3nn[nH]n3)c2)cc(OC)c1OC ZINC000826177428 608449994 /nfs/dbraw/zinc/44/99/94/608449994.db2.gz HYKKJUZVHVYJJY-CYBMUJFWSA-N 1 0 399.451 2.622 20 0 GFADRO C[C@H]([NH2+]Cc1ccc(S(=O)(=O)C(F)F)cc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824618892 608462535 /nfs/dbraw/zinc/46/25/35/608462535.db2.gz RRVGLMWKUCHSGN-NSHDSACASA-N 1 0 393.419 2.714 20 0 GFADRO CC[C@H]([NH2+]CCOc1cccc(-c2nn[nH]n2)c1)c1ccc2c(c1)OCCO2 ZINC000825142376 608470691 /nfs/dbraw/zinc/47/06/91/608470691.db2.gz RERJESQEDHFJAI-KRWDZBQOSA-N 1 0 381.436 2.758 20 0 GFADRO CC(C)[C@H](C(=O)N1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1)[NH+]1CCCCC1 ZINC000824184774 608480064 /nfs/dbraw/zinc/48/00/64/608480064.db2.gz LQTIBEJCCJBSAW-HXUWFJFHSA-N 1 0 394.523 2.993 20 0 GFADRO C[C@H]([NH2+]Cc1nc(=O)c2c3c(sc2[nH]1)CCC3)c1cccc(-c2nn[nH]n2)c1 ZINC000824632760 608488653 /nfs/dbraw/zinc/48/86/53/608488653.db2.gz DEERLUWXDYOVBJ-JTQLQIEISA-N 1 0 393.476 2.917 20 0 GFADRO C[C@@H]([NH2+]CCCOc1cccc(-c2nn[nH]n2)c1)c1ccc2c(c1)CC(=O)N2C ZINC000824593342 608494397 /nfs/dbraw/zinc/49/43/97/608494397.db2.gz RAQBNELNRROQHM-CQSZACIVSA-N 1 0 392.463 2.505 20 0 GFADRO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc(-c2nn[nH]n2)cc1Cl ZINC000825219806 608494800 /nfs/dbraw/zinc/49/48/00/608494800.db2.gz MMNNYSIFEYXZRG-QWHCGFSZSA-N 1 0 375.864 2.611 20 0 GFADRO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc(OC(C)C)c(-c2nn[nH]n2)c1 ZINC000825219155 608495091 /nfs/dbraw/zinc/49/50/91/608495091.db2.gz HTWUANXRWMCVCT-JKSUJKDBSA-N 1 0 399.499 2.744 20 0 GFADRO OC[C@H](C[NH2+][C@H]1CCCc2cc(-c3nn[nH]n3)ccc21)Cc1ccc(F)cc1 ZINC000826507518 608504745 /nfs/dbraw/zinc/50/47/45/608504745.db2.gz QBKVUPCOEHUOBX-YWZLYKJASA-N 1 0 381.455 2.824 20 0 GFADRO CCCCOc1ccc(C[NH+]2CCN(c3ncccc3-c3nn[nH]n3)CC2)cc1 ZINC000825290907 608508776 /nfs/dbraw/zinc/50/87/76/608508776.db2.gz JVFZYSRZMVQMMJ-UHFFFAOYSA-N 1 0 393.495 2.763 20 0 GFADRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+][C@@H]2CCCc3cc(-c4nn[nH]n4)ccc32)C1 ZINC000824103492 608510251 /nfs/dbraw/zinc/51/02/51/608510251.db2.gz CERNCTUQAUUYLF-DOTOQJQBSA-N 1 0 384.484 2.843 20 0 GFADRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+][C@H]2CCCc3cc(-c4nn[nH]n4)ccc32)C1 ZINC000824103495 608510388 /nfs/dbraw/zinc/51/03/88/608510388.db2.gz CERNCTUQAUUYLF-WBVHZDCISA-N 1 0 384.484 2.843 20 0 GFADRO O=C(C[NH2+]C1(c2cccc(-c3nn[nH]n3)c2)CC1)N1CCSc2ccccc21 ZINC000826412492 608530005 /nfs/dbraw/zinc/53/00/05/608530005.db2.gz PWRRQSHTSWMYGH-UHFFFAOYSA-N 1 0 392.488 2.584 20 0 GFADRO O=C(C[NH2+][C@H](c1ccccc1)C1CCOCC1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000826412532 608536115 /nfs/dbraw/zinc/53/61/15/608536115.db2.gz RQEQQHWKKDYVAF-HXUWFJFHSA-N 1 0 392.463 2.563 20 0 GFADRO COCc1ccc(C[NH2+]C2CCC(Oc3ccc(-c4nn[nH]n4)cn3)CC2)cc1 ZINC000826164543 608570048 /nfs/dbraw/zinc/57/00/48/608570048.db2.gz FZFOMBISRJGAIW-UHFFFAOYSA-N 1 0 394.479 2.888 20 0 GFADRO CC1(C)CC[C@H](NC(=O)N2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC000824801704 608587677 /nfs/dbraw/zinc/58/76/77/608587677.db2.gz GVDVZUWQPNDIEZ-SFHVURJKSA-N 1 0 397.527 2.663 20 0 GFADRO Fc1cccc(N2CC[NH+](Cc3ccnc4ccccc34)CC2)c1-c1nn[nH]n1 ZINC000826377166 608596276 /nfs/dbraw/zinc/59/62/76/608596276.db2.gz HNQZKFRAGJPIIM-UHFFFAOYSA-N 1 0 389.438 2.876 20 0 GFADRO CCCCCC[N@H+](CCN1CCOCC1)Cc1ccc(-c2nn[nH]n2)s1 ZINC000825271930 608636379 /nfs/dbraw/zinc/63/63/79/608636379.db2.gz QTSYVSIWEHFMJW-UHFFFAOYSA-N 1 0 378.546 2.643 20 0 GFADRO Fc1c(C[N@@H+]2CCC[C@H](c3nnc4n3CCCCC4)C2)cccc1-c1nn[nH]n1 ZINC000826370636 608646131 /nfs/dbraw/zinc/64/61/31/608646131.db2.gz BMLCYEYLLOEPBB-HNNXBMFYSA-N 1 0 396.474 2.703 20 0 GFADRO CN(c1ccccc1)C1CC[NH+](Cc2cnc3ccc(-c4nn[nH]n4)cn23)CC1 ZINC000826011083 608654192 /nfs/dbraw/zinc/65/41/92/608654192.db2.gz WJRZBEVZZKORBK-UHFFFAOYSA-N 1 0 388.479 2.615 20 0 GFADRO c1nc2ccc(-c3nn[nH]n3)cn2c1C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000826519322 608679914 /nfs/dbraw/zinc/67/99/14/608679914.db2.gz UHLUXFVZQYLHQX-INIZCTEOSA-N 1 0 389.419 2.580 20 0 GFADRO COCC[N@H+](CCOc1ccc(F)cc1)Cc1ccc(-c2nn[nH]n2)s1 ZINC000826158314 608695096 /nfs/dbraw/zinc/69/50/96/608695096.db2.gz KFPSZHCKKVKVGU-UHFFFAOYSA-N 1 0 377.445 2.595 20 0 GFADRO C[C@@H]1C[N@H+](Cc2cc(-c3nn[nH]n3)cs2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000824983475 608700953 /nfs/dbraw/zinc/70/09/53/608700953.db2.gz AELJXSMRJCCGSM-RISCZKNCSA-N 1 0 378.502 2.663 20 0 GFADRO Fc1cccc(CC[N@H+](Cc2cnc3ccc(-c4nn[nH]n4)cn23)C2CC2)c1 ZINC000826376667 608706553 /nfs/dbraw/zinc/70/65/53/608706553.db2.gz NGWYDZWJXHULRP-UHFFFAOYSA-N 1 0 377.427 2.861 20 0 GFADRO O[C@H](C[C@H]1CCC[N@@H+]1Cc1cnc2ccc(-c3nn[nH]n3)cn12)c1ccccc1 ZINC000826503299 608749325 /nfs/dbraw/zinc/74/93/25/608749325.db2.gz UYEOQXHUJNEGCW-IEBWSBKVSA-N 1 0 389.463 2.603 20 0 GFADRO C[C@H](C[C@@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)NC(=O)OC(C)(C)C ZINC000824393305 608755426 /nfs/dbraw/zinc/75/54/26/608755426.db2.gz RPUGFXMXAILBJS-VXGBXAGGSA-N 1 0 378.452 2.787 20 0 GFADRO CCCNC(=O)c1cccc(C[NH2+][C@@H](C)c2ccc(-c3nn[nH]n3)c(F)c2)c1 ZINC000825332512 609133726 /nfs/dbraw/zinc/13/37/26/609133726.db2.gz HJROYIMTDYJJMX-ZDUSSCGKSA-N 1 0 382.443 2.996 20 0 GFADRO C[C@H](Cc1cccs1)[NH2+][C@@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000824457412 609168905 /nfs/dbraw/zinc/16/89/05/609168905.db2.gz LQEWQYUFQHTSFP-CXAGYDPISA-N 1 0 382.493 2.644 20 0 GFADRO O=C1[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CCN1c1ccc(F)c(Cl)c1 ZINC000826476319 609188469 /nfs/dbraw/zinc/18/84/69/609188469.db2.gz FJADTQIFKHDUSN-ZDUSSCGKSA-N 1 0 392.847 2.616 20 0 GFADRO CCC1(CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC[NH+](Cc2ccccc2)CC1 ZINC000825171692 609227896 /nfs/dbraw/zinc/22/78/96/609227896.db2.gz UDRJTGJDSNMEBM-UHFFFAOYSA-N 1 0 393.495 2.617 20 0 GFADRO C[C@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)cn1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824655885 609251501 /nfs/dbraw/zinc/25/15/01/609251501.db2.gz GRDRTCIGWJWUPJ-KBXCAEBGSA-N 1 0 378.484 2.575 20 0 GFADRO C[C@@H](NC(=O)c1c(F)cc(-c2nn[nH]n2)cc1F)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000824506220 609292011 /nfs/dbraw/zinc/29/20/11/609292011.db2.gz MSZODLTWBSSBGU-NEPJUHHUSA-N 1 0 390.438 2.528 20 0 GFADRO C[C@@H]([NH2+]Cc1cccc(CN2CCCC2=O)c1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824617339 609325827 /nfs/dbraw/zinc/32/58/27/609325827.db2.gz GUAVAIZYOMZOFM-CQSZACIVSA-N 1 0 394.454 2.979 20 0 GFADRO Cc1ccc(C(=O)NCC[NH2+][C@H](C)c2ccc(-c3nn[nH]n3)cc2F)cc1F ZINC000826281885 609327270 /nfs/dbraw/zinc/32/72/70/609327270.db2.gz OCBMGEARUVZQCT-GFCCVEGCSA-N 1 0 386.406 2.534 20 0 GFADRO C[C@@H]([NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824546240 609334106 /nfs/dbraw/zinc/33/41/06/609334106.db2.gz HSCHVKRHUFDIRT-YPMHNXCESA-N 1 0 376.436 2.666 20 0 GFADRO CCC(CC)[C@@H](C[NH2+]Cc1cn(C)nc1-c1ccc(-c2nn[nH]n2)cc1)N(C)C ZINC000825097511 609337079 /nfs/dbraw/zinc/33/70/79/609337079.db2.gz XHGYMJWBNBLELZ-LJQANCHMSA-N 1 0 396.543 2.723 20 0 GFADRO CCO[C@@H]1C[C@H]([NH2+]Cc2cn(C)nc2-c2ccc(-c3nn[nH]n3)cc2)C12CCC2 ZINC000825583203 609339230 /nfs/dbraw/zinc/33/92/30/609339230.db2.gz RYFSBJDLJRLQPH-ZWKOTPCHSA-N 1 0 393.495 2.705 20 0 GFADRO CCc1cc(N2CCC([NH2+][C@H](C)c3ccc(-c4nn[nH]n4)cc3F)CC2)ncn1 ZINC000825700628 609339310 /nfs/dbraw/zinc/33/93/10/609339310.db2.gz NAOZWOAKCHSLEC-CYBMUJFWSA-N 1 0 396.474 2.678 20 0 GFADRO Cn1cc(C[NH2+]CCc2cccc(F)c2F)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826361968 609340373 /nfs/dbraw/zinc/34/03/73/609340373.db2.gz XUYUSNTUYBZLFH-UHFFFAOYSA-N 1 0 395.417 2.878 20 0 GFADRO CC1(C)CC[C@@H](C(=O)N2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC000824797164 609375674 /nfs/dbraw/zinc/37/56/74/609375674.db2.gz WMUJSQPLZODBCA-GOSISDBHSA-N 1 0 382.512 2.727 20 0 GFADRO CN(C[C@@H]1CC[N@H+](C)C1)C(=O)c1ccccc1Oc1ccccc1-c1nn[nH]n1 ZINC000826022448 609381048 /nfs/dbraw/zinc/38/10/48/609381048.db2.gz NHUWWDOTBDCRDR-OAHLLOKOSA-N 1 0 392.463 2.683 20 0 GFADRO C[C@@H]([NH2+]CCOc1cccc(-c2nn[nH]n2)c1)c1cccc(-n2ccnc2)c1 ZINC000824598979 609441196 /nfs/dbraw/zinc/44/11/96/609441196.db2.gz KRZVQNQJNGZQSV-OAHLLOKOSA-N 1 0 375.436 2.782 20 0 GFADRO Cc1ccccc1C[NH+]1CCC(Nc2nc3ccccn3c2-c2nn[nH]n2)CC1 ZINC000826307391 609462136 /nfs/dbraw/zinc/46/21/36/609462136.db2.gz GPCMZICPQTYKJL-UHFFFAOYSA-N 1 0 388.479 2.899 20 0 GFADRO CCOCCC[N@@H+]1CC[C@@H](Nc2ncc(Cl)c(C)c2-c2nn[nH]n2)[C@H](C)C1 ZINC000825593852 609554583 /nfs/dbraw/zinc/55/45/83/609554583.db2.gz FSIXMGUDGDXRMB-IUODEOHRSA-N 1 0 393.923 2.772 20 0 GFADRO Cc1c(Cl)cnc(N(C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c1-c1nn[nH]n1 ZINC000826236779 609576253 /nfs/dbraw/zinc/57/62/53/609576253.db2.gz BZTUXQASKCIEFG-HNNXBMFYSA-N 1 0 383.887 2.934 20 0 GFADRO Cn1cc(C[NH+]2CCC([C@@H]3CCOC3)CC2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826360268 609608786 /nfs/dbraw/zinc/60/87/86/609608786.db2.gz DJTPJHQAHIJQQA-GOSISDBHSA-N 1 0 393.495 2.516 20 0 GFADRO C[NH+](C)CCn1ccc(NC(=O)[C@H]2C[C@H]2c2cccc(Br)c2)n1 ZINC000522272270 650624609 /nfs/dbraw/zinc/62/46/09/650624609.db2.gz NWWXQHKSGAIMFT-GJZGRUSLSA-N 1 0 377.286 2.949 20 0 GFADRO CC[NH+]1CCN(Cc2ccc(CNc3ncncc3Br)cc2)CC1 ZINC000481705200 650651572 /nfs/dbraw/zinc/65/15/72/650651572.db2.gz XYBLRRGFZLOCQP-UHFFFAOYSA-N 1 0 390.329 2.989 20 0 GFADRO C[NH+](C)CCn1ccc(NC(=O)N[C@@H]2C[C@H]2c2cccc(Br)c2)n1 ZINC000525228734 650652153 /nfs/dbraw/zinc/65/21/53/650652153.db2.gz VGQQJSLBVHOLGG-LSDHHAIUSA-N 1 0 392.301 2.885 20 0 GFADRO C[N@@H+]1CC[C@H]2CCN(C(=O)Nc3cc4ccc(Br)cn4n3)[C@@H]2C1 ZINC000482143992 650660959 /nfs/dbraw/zinc/66/09/59/650660959.db2.gz UFIRJCLQOPRQNG-SMDDNHRTSA-N 1 0 378.274 2.655 20 0 GFADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)C(F)(F)c1cc(Cl)ccc1Cl ZINC000817532330 660199633 /nfs/dbraw/zinc/19/96/33/660199633.db2.gz JPLBBTCFYXKJHZ-LLVKDONJSA-N 1 0 380.266 2.837 20 0 GFADRO COCc1nc2n(n1)C[C@@H]([NH2+][C@H](c1nc(Br)cs1)C1CC1)CC2 ZINC000817580330 660201526 /nfs/dbraw/zinc/20/15/26/660201526.db2.gz INJDKSKUMRGHNP-HZMBPMFUSA-N 1 0 398.330 2.699 20 0 GFADRO O=C(NCCc1ccc(Br)cc1F)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000817936570 660212151 /nfs/dbraw/zinc/21/21/51/660212151.db2.gz UMERRUNTBSTODU-HNNXBMFYSA-N 1 0 395.276 2.682 20 0 GFADRO C[C@H](Nc1ccc(N2CC[NH2+]CC2)cn1)c1cc(Br)ncc1F ZINC000817951073 660212485 /nfs/dbraw/zinc/21/24/85/660212485.db2.gz AWVSWVDOXBAVAB-NSHDSACASA-N 1 0 380.265 2.961 20 0 GFADRO O=C(c1cc(=O)[nH]c2ccc(Br)cc21)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000818016217 660213700 /nfs/dbraw/zinc/21/37/00/660213700.db2.gz QLLXNZCRLJDOKP-KRWDZBQOSA-N 1 0 376.254 2.671 20 0 GFADRO O=S(=O)(CCC[NH2+]C[C@H](O)c1cccc(Br)c1)c1ccccc1 ZINC000818981052 660240979 /nfs/dbraw/zinc/24/09/79/660240979.db2.gz NNGNWKPWOHJJBZ-KRWDZBQOSA-N 1 0 398.322 2.936 20 0 GFADRO O[C@H](C[NH2+]Cc1cc(Br)c2c(c1)OCCO2)c1ccc(F)cn1 ZINC000818979295 660241013 /nfs/dbraw/zinc/24/10/13/660241013.db2.gz JUKYVDIPLGASDB-CQSZACIVSA-N 1 0 383.217 2.578 20 0 GFADRO O=C(NCCC[NH2+]C[C@H](O)c1ccccc1Br)c1ccccc1 ZINC000818988516 660241906 /nfs/dbraw/zinc/24/19/06/660241906.db2.gz ARJMQAMVWQSPBI-KRWDZBQOSA-N 1 0 377.282 2.892 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)C[NH2+]C[C@H](O)c1ccc(F)cn1 ZINC000818991198 660242220 /nfs/dbraw/zinc/24/22/20/660242220.db2.gz YYFSHWUTCUNZQW-HNNXBMFYSA-N 1 0 382.233 2.553 20 0 GFADRO O=C(C[NH2+]C[C@@H](O)c1cccc(Br)c1)N1CCc2ccccc2C1 ZINC000819003428 660242934 /nfs/dbraw/zinc/24/29/34/660242934.db2.gz WDOUGIVTRPYKQV-GOSISDBHSA-N 1 0 389.293 2.657 20 0 GFADRO Cc1ncc2c(n1)CCC[C@@H]2[NH2+]C[C@@H](O)COc1cccc(Br)c1 ZINC000819079416 660245640 /nfs/dbraw/zinc/24/56/40/660245640.db2.gz AAKRSNGRGGRCEK-PBHICJAKSA-N 1 0 392.297 2.954 20 0 GFADRO CC(C)(C)[S@@](=O)CC[NH2+]C[C@](C)(O)c1ccc(Br)cc1F ZINC000819055529 660244740 /nfs/dbraw/zinc/24/47/40/660244740.db2.gz GLZFMAZQSCSHKQ-BTYIYWSLSA-N 1 0 380.323 2.933 20 0 GFADRO Cc1ncc2c(n1)CCC[C@@H]2[NH2+]C[C@@H](O)COc1ccc(Br)cc1 ZINC000819080780 660245830 /nfs/dbraw/zinc/24/58/30/660245830.db2.gz INPLFPGJKRTFPK-PBHICJAKSA-N 1 0 392.297 2.954 20 0 GFADRO CC(C)(C)S(=O)(=O)CC[NH2+]C[C@H](O)COc1cc(Cl)ccc1Cl ZINC000819060752 660244923 /nfs/dbraw/zinc/24/49/23/660244923.db2.gz KOCKHJFLFLQHRL-LBPRGKRZSA-N 1 0 384.325 2.536 20 0 GFADRO C[C@@H](C[NH2+]C[C@@H](O)c1ccc(S(C)(=O)=O)cc1)Oc1cccc(Cl)c1 ZINC000819112337 660246938 /nfs/dbraw/zinc/24/69/38/660246938.db2.gz DLECHAXPZIRIQL-SCLBCKFNSA-N 1 0 383.897 2.834 20 0 GFADRO O=S(=O)(CC[NH2+]C[C@@H]1CSCCS1)c1cccc(Br)c1 ZINC000819142795 660247808 /nfs/dbraw/zinc/24/78/08/660247808.db2.gz WFJPMLUFQWYZOW-GFCCVEGCSA-N 1 0 396.397 2.661 20 0 GFADRO CC1(C)OC[C@H](C[NH2+]C[C@@H](O)COc2ccc(Cl)cc2Br)O1 ZINC000819153764 660248166 /nfs/dbraw/zinc/24/81/66/660248166.db2.gz DJRYOFBABSNUSM-NEPJUHHUSA-N 1 0 394.693 2.583 20 0 GFADRO CC1(C)OC[C@@H](C[NH2+]C[C@H](O)COc2ccc(Cl)cc2Br)O1 ZINC000819153768 660248192 /nfs/dbraw/zinc/24/81/92/660248192.db2.gz DJRYOFBABSNUSM-NWDGAFQWSA-N 1 0 394.693 2.583 20 0 GFADRO Cc1cc(S(=O)(=O)NCC[NH2+]C[C@@H](O)c2cccc(Cl)c2)c(C)s1 ZINC000819179510 660248940 /nfs/dbraw/zinc/24/89/40/660248940.db2.gz COIMZZCEMNOQBI-OAHLLOKOSA-N 1 0 388.942 2.620 20 0 GFADRO O=C1[C@H]([NH2+]C[C@@H](O)c2ccc(Br)cc2)CCCN1CC(F)(F)F ZINC000819181750 660248954 /nfs/dbraw/zinc/24/89/54/660248954.db2.gz APEMVANQSDSSAD-CHWSQXEVSA-N 1 0 395.219 2.625 20 0 GFADRO COC1(C[NH2+]C[C@](C)(O)c2ccc(Br)cc2F)CCOCC1 ZINC000819182988 660249236 /nfs/dbraw/zinc/24/92/36/660249236.db2.gz KUVHQSRJDKTCME-HNNXBMFYSA-N 1 0 376.266 2.581 20 0 GFADRO O=C1[C@H]([NH2+]C[C@@H](O)c2ccccc2Br)CCCN1c1cccnc1 ZINC000819224514 660250729 /nfs/dbraw/zinc/25/07/29/660250729.db2.gz HGPXSWUISLKZKE-IAGOWNOFSA-N 1 0 390.281 2.663 20 0 GFADRO CCNC(=O)C1(C[NH2+]C[C@](C)(O)c2ccc(Br)cc2F)CCC1 ZINC000819260694 660252407 /nfs/dbraw/zinc/25/24/07/660252407.db2.gz VSWLJZHVBCZUCQ-INIZCTEOSA-N 1 0 387.293 2.692 20 0 GFADRO Cn1ccnc1[C@@H]1C[C@H]([NH2+]C[C@@H](O)c2ccc(Br)cc2)CCO1 ZINC000819359963 660256800 /nfs/dbraw/zinc/25/68/00/660256800.db2.gz GENFXDXGHOGLCA-OAGGEKHMSA-N 1 0 380.286 2.726 20 0 GFADRO O[C@@H](C[NH2+]C1CCN(c2cccnn2)CC1)c1ccc(Br)cc1 ZINC000819264133 660252726 /nfs/dbraw/zinc/25/27/26/660252726.db2.gz MAVVBKHLQAQNDE-INIZCTEOSA-N 1 0 377.286 2.531 20 0 GFADRO Cc1cc(N2CCC[C@H]([NH2+]C[C@@H](O)c3ccc(Br)cc3)C2)n(C)n1 ZINC000819267200 660252958 /nfs/dbraw/zinc/25/29/58/660252958.db2.gz RWALHONCKKKZMP-DLBZAZTESA-N 1 0 393.329 2.783 20 0 GFADRO CO[C@@H]1COCC[C@@H]1C[NH2+]C[C@](C)(O)c1ccc(Br)cc1Cl ZINC000819344742 660255954 /nfs/dbraw/zinc/25/59/54/660255954.db2.gz MQSIWWFMZCLUKT-LYRGGWFBSA-N 1 0 392.721 2.951 20 0 GFADRO C[C@](O)(C[NH2+][C@@H]1C[C@@H]2CCCCN2C1=O)c1ccc(Br)cc1F ZINC000819358407 660256657 /nfs/dbraw/zinc/25/66/57/660256657.db2.gz GYTYUZITZXPXRX-MJEQTWJJSA-N 1 0 385.277 2.539 20 0 GFADRO CCOC(=O)N1CC[C@H]([NH2+]C[C@](C)(O)c2ccc(Br)cc2F)C1 ZINC000819239329 660251416 /nfs/dbraw/zinc/25/14/16/660251416.db2.gz RRMMVKYOVKGQCO-LRDDRELGSA-N 1 0 389.265 2.616 20 0 GFADRO Cc1cc(C(=O)N2CC[C@@H]3C[N@@H+](C)C[C@@H]32)nn1-c1ccccc1Br ZINC000820273056 660287271 /nfs/dbraw/zinc/28/72/71/660287271.db2.gz PHWNTRLMCAHAOD-DYVFJYSZSA-N 1 0 389.297 2.719 20 0 GFADRO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1cc(Br)cnc1Br ZINC000820557979 660297291 /nfs/dbraw/zinc/29/72/91/660297291.db2.gz JLCWSGBZQAJPIF-KCJUWKMLSA-N 1 0 391.107 2.771 20 0 GFADRO CCn1ncc(C(=O)N(CC[NH+](C)C)Cc2cccs2)c1Br ZINC000820699882 660302985 /nfs/dbraw/zinc/30/29/85/660302985.db2.gz BMLSGWDMGDNOAP-UHFFFAOYSA-N 1 0 385.331 2.931 20 0 GFADRO Cn1c(C(=O)N2CCC[C@@]3(CC[N@H+](C)C3)C2)cc2cc(Br)cnc21 ZINC000821025088 660313560 /nfs/dbraw/zinc/31/35/60/660313560.db2.gz AOFTVJQEEFVHGO-SFHVURJKSA-N 1 0 391.313 2.894 20 0 GFADRO C[N@H+](CCn1cnc(Br)n1)Cc1cc(Br)cs1 ZINC000821355036 660322609 /nfs/dbraw/zinc/32/26/09/660322609.db2.gz NIRAYPSGXXTKSW-UHFFFAOYSA-N 1 0 380.109 2.997 20 0 GFADRO CCn1ncc(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)c1Br ZINC000821550052 660329021 /nfs/dbraw/zinc/32/90/21/660329021.db2.gz JFBFXRWQODGSAJ-UHFFFAOYSA-N 1 0 392.301 2.707 20 0 GFADRO C[C@H](CNC(=O)c1csc(I)n1)[N@@H+]1CCCC[C@@H]1C ZINC000821986691 660337648 /nfs/dbraw/zinc/33/76/48/660337648.db2.gz WDZLQPIFBYZNBE-VHSXEESVSA-N 1 0 393.294 2.740 20 0 GFADRO Cc1cc(Br)ncc1NC(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000821817285 660334615 /nfs/dbraw/zinc/33/46/15/660334615.db2.gz GINSLASZCZXPCG-CYBMUJFWSA-N 1 0 385.306 2.727 20 0 GFADRO CC[NH+]1CCN(CCCNC(=O)c2cc(Cl)nc(C(F)(F)F)c2)CC1 ZINC000821917391 660336657 /nfs/dbraw/zinc/33/66/57/660336657.db2.gz CSXSLRLAERLSPD-UHFFFAOYSA-N 1 0 378.826 2.511 20 0 GFADRO CC(C)(C)[NH2+]CCC(=O)NC[C@H](CO)Cc1ccc(F)c(Br)c1 ZINC000821938873 660336882 /nfs/dbraw/zinc/33/68/82/660336882.db2.gz HUQPUPONYRYKCK-CYBMUJFWSA-N 1 0 389.309 2.634 20 0 GFADRO CN(C)c1nc(Cl)c(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)s1 ZINC000822220791 660341737 /nfs/dbraw/zinc/34/17/37/660341737.db2.gz HNJXAODJJSHKNC-UHFFFAOYSA-N 1 0 379.917 2.867 20 0 GFADRO Brc1ccc(Cc2noc(-c3cn([C@@H]4CCC[NH2+]C4)nn3)n2)cc1 ZINC000822639886 660350629 /nfs/dbraw/zinc/35/06/29/660350629.db2.gz HLZQRWMQPPXBDG-CYBMUJFWSA-N 1 0 389.257 2.606 20 0 GFADRO COc1cc(Br)c(Cc2noc([C@H]3CC[NH2+][C@@H]3C)n2)cc1OC ZINC000822909917 660357702 /nfs/dbraw/zinc/35/77/02/660357702.db2.gz GBUFKBFUPGCAPX-KOLCDFICSA-N 1 0 382.258 2.906 20 0 GFADRO [NH3+]CCCCCc1nc(Cc2nc3ccc(Br)cc3c(=O)[nH]2)no1 ZINC000822918702 660358133 /nfs/dbraw/zinc/35/81/33/660358133.db2.gz DEGZDNBOJSFMGW-UHFFFAOYSA-N 1 0 392.257 2.743 20 0 GFADRO C[NH2+]CCc1nc(Cc2cc(OC)c(OC(F)F)cc2Br)no1 ZINC000822946938 660358668 /nfs/dbraw/zinc/35/86/68/660358668.db2.gz LBCQJDRMIOFZOH-UHFFFAOYSA-N 1 0 392.200 2.795 20 0 GFADRO COc1cc(Cc2noc([C@@H]3C[C@@H]3[NH3+])n2)c(Br)cc1OC(F)F ZINC000822946957 660358733 /nfs/dbraw/zinc/35/87/33/660358733.db2.gz LOOGDSATERMDRU-APPZFPTMSA-N 1 0 390.184 2.848 20 0 GFADRO [NH3+]CC1(Cc2nc(Cc3cccc(F)c3I)no2)CC1 ZINC000822980140 660359245 /nfs/dbraw/zinc/35/92/45/660359245.db2.gz DCIMZRWGWYIRIJ-UHFFFAOYSA-N 1 0 387.196 2.686 20 0 GFADRO Fc1cccc(Cc2noc([C@H]3C[C@@]34CC[NH2+]C4)n2)c1I ZINC000822981010 660359368 /nfs/dbraw/zinc/35/93/68/660359368.db2.gz SYDFBWHETLHYBS-MEBBXXQBSA-N 1 0 399.207 2.871 20 0 GFADRO CC[C@H]1[NH2+]CC[C@H]1c1nc(CC(=O)Nc2ccccc2Br)no1 ZINC000823075330 660361125 /nfs/dbraw/zinc/36/11/25/660361125.db2.gz PSXSXRAXNGEEIQ-ZYHUDNBSSA-N 1 0 379.258 2.869 20 0 GFADRO CC(C)(c1noc(-c2cn(CCC[NH3+])nn2)n1)c1ccc(Br)cc1 ZINC000823075347 660361127 /nfs/dbraw/zinc/36/11/27/660361127.db2.gz QJGPZQZWSAQHNC-UHFFFAOYSA-N 1 0 391.273 2.765 20 0 GFADRO O=C(CSC(F)F)NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000823170568 660363900 /nfs/dbraw/zinc/36/39/00/660363900.db2.gz CSJWEIASPGTODN-UHFFFAOYSA-N 1 0 377.888 2.924 20 0 GFADRO [NH3+]CCCCn1cc(-c2nc(COc3cccc(Cl)c3Cl)no2)nn1 ZINC000823295067 660367634 /nfs/dbraw/zinc/36/76/34/660367634.db2.gz BNWZNVWBAVIBDO-UHFFFAOYSA-N 1 0 383.239 2.953 20 0 GFADRO O=C(C[C@@H]1C(=O)Nc2c1cccc2Br)N[C@H]1C[C@@H]([NH+]2CCCC2)C1 ZINC000823652408 660377359 /nfs/dbraw/zinc/37/73/59/660377359.db2.gz JXZUHGVURMPTHU-SCRDCRAPSA-N 1 0 392.297 2.618 20 0 GFADRO COC(=O)N1CCC(C[NH2+]Cc2ccc(I)cc2)CC1 ZINC000824376798 660391027 /nfs/dbraw/zinc/39/10/27/660391027.db2.gz OGVFFWZUZOIKFW-UHFFFAOYSA-N 1 0 388.249 2.859 20 0 GFADRO COC(=O)c1ccc(C[N@@H+]2CC[C@H](CN3CCOC3=O)C2)c(Br)c1 ZINC000824454847 660392470 /nfs/dbraw/zinc/39/24/70/660392470.db2.gz LLNDNADOVDKIOP-LBPRGKRZSA-N 1 0 397.269 2.510 20 0 GFADRO Cn1c(Cl)cnc1-c1csc(NC(=O)N2CC[C@H]([NH+]3CCCC3)C2)n1 ZINC000824514792 660395505 /nfs/dbraw/zinc/39/55/05/660395505.db2.gz JQBUDWVYEPXDLF-NSHDSACASA-N 1 0 380.905 2.899 20 0 GFADRO COC1CC[NH+](C(C)(C)CNC(=O)Nc2nnc(C(F)(F)F)s2)CC1 ZINC000518094938 648586655 /nfs/dbraw/zinc/58/66/55/648586655.db2.gz LVONEYXNTDQIRO-UHFFFAOYSA-N 1 0 381.424 2.568 20 0 GFADRO C[N@@H+](Cc1cc(F)cc(Br)c1)C[C@H](O)CNC(=O)OC(C)(C)C ZINC000824572240 660397472 /nfs/dbraw/zinc/39/74/72/660397472.db2.gz VQWMZFIBTZAFBR-CQSZACIVSA-N 1 0 391.281 2.906 20 0 GFADRO Cc1c2cc(C(=O)NC[C@H]3C[N@@H+]4CCC[C@@H]4CO3)[nH]c2ccc1Br ZINC000824733882 660400242 /nfs/dbraw/zinc/40/02/42/660400242.db2.gz SJBORABYPMFQHR-OLZOCXBDSA-N 1 0 392.297 2.832 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)C[C@H]2C(=O)Nc3ccc(Br)cc32)C1 ZINC000824773306 660401567 /nfs/dbraw/zinc/40/15/67/660401567.db2.gz OJCSKCNSRRMHKG-GXTWGEPZSA-N 1 0 394.313 2.864 20 0 GFADRO C[NH+]1CCC(OCC(=O)N[C@H]2CSCc3ccc(Br)cc32)CC1 ZINC000825244050 660417249 /nfs/dbraw/zinc/41/72/49/660417249.db2.gz PBKOXMPUIACVLT-INIZCTEOSA-N 1 0 399.354 2.964 20 0 GFADRO Cc1cc(C(=O)N[C@@H]2C[C@@H](N3CCOCC3)C23CCC3)oc1Br ZINC000825647347 660436124 /nfs/dbraw/zinc/43/61/24/660436124.db2.gz JWJAAKBPTPKLGC-ZIAGYGMSSA-N 1 0 383.286 2.724 20 0 GFADRO C[NH+](C)Cc1cc(CNC(=O)c2c(Br)nc3n2CCC3)ccc1F ZINC000825862853 660444303 /nfs/dbraw/zinc/44/43/03/660444303.db2.gz HUSGUSINMWDGSK-UHFFFAOYSA-N 1 0 395.276 2.723 20 0 GFADRO O=[S@@](CC[NH2+]Cc1ccccc1I)CC(F)(F)F ZINC000850350175 661771187 /nfs/dbraw/zinc/77/11/87/661771187.db2.gz PELWLGCQDGZHIM-SFHVURJKSA-N 1 0 391.196 2.692 20 0 GFADRO CN(C(=O)c1cc(Br)n(C)n1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000826574588 660457936 /nfs/dbraw/zinc/45/79/36/660457936.db2.gz SYOISGGLAIDBRS-OAHLLOKOSA-N 1 0 391.313 2.919 20 0 GFADRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1cc(Br)n(C)n1 ZINC000826671493 660460712 /nfs/dbraw/zinc/46/07/12/660460712.db2.gz LXVDWASAAHNEAI-DZGCQCFKSA-N 1 0 391.313 2.823 20 0 GFADRO CC(C)[C@H]1CN(C(=O)c2cc(Br)cnc2Br)CC[NH2+]1 ZINC000826764347 660463925 /nfs/dbraw/zinc/46/39/25/660463925.db2.gz VOWFLDWLPHAQHP-LLVKDONJSA-N 1 0 391.107 2.677 20 0 GFADRO O=C(NCc1ccc(Br)cn1)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000826827557 660467672 /nfs/dbraw/zinc/46/76/72/660467672.db2.gz RAXWHQFJHDQNGU-OAHLLOKOSA-N 1 0 389.297 2.768 20 0 GFADRO C[C@@H]1C[C@H](C[NH2+]CC[S@@](=O)CC(F)(F)F)CCN1C(=O)OC(C)(C)C ZINC000826868038 660469253 /nfs/dbraw/zinc/46/92/53/660469253.db2.gz OQPZRXGLCZQXEO-FUIYZNBFSA-N 1 0 386.480 2.923 20 0 GFADRO C[NH+]1CCC(OCC(=O)N2CCc3ccc(F)c(Br)c3C2)CC1 ZINC000827046196 660476847 /nfs/dbraw/zinc/47/68/47/660476847.db2.gz YWTQBCGHXFXEJL-UHFFFAOYSA-N 1 0 385.277 2.584 20 0 GFADRO C[C@H]1C[C@@H](C(=O)N2CC[C@@]3(C)[C@@H](C2)C3(Br)Br)CC[NH2+]1 ZINC000852901926 661876906 /nfs/dbraw/zinc/87/69/06/661876906.db2.gz WIJHCKOGWQCUAZ-KQXIARHKSA-N 1 0 394.151 2.729 20 0 GFADRO CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@]1(C)CC1(Br)Br ZINC000827210637 660484519 /nfs/dbraw/zinc/48/45/19/660484519.db2.gz PVAYVEKJIHSZTJ-CMPLNLGQSA-N 1 0 382.140 2.873 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(C(=O)C[C@@H]3Sc4ccc(Cl)cc4NC3=O)CC[C@@H]21 ZINC000827356225 660491008 /nfs/dbraw/zinc/49/10/08/660491008.db2.gz MPDUUWHTSORRAT-WPGHFRTFSA-N 1 0 379.913 2.696 20 0 GFADRO Cc1sc2ncnc(SCC(=O)N3CC[C@H]4[C@H](CC[N@H+]4C)C3)c2c1C ZINC000827365844 660492062 /nfs/dbraw/zinc/49/20/62/660492062.db2.gz KUIWYBIISUKBIN-KGLIPLIRSA-N 1 0 376.551 2.953 20 0 GFADRO C[N@@H+]1CC[C@H]2CN(C(=O)c3ccn(-c4ccc(Br)cc4)n3)CC[C@@H]21 ZINC000827256389 660486584 /nfs/dbraw/zinc/48/65/84/660486584.db2.gz WFAYVXMETBETHA-GUYCJALGSA-N 1 0 389.297 2.801 20 0 GFADRO Cc1cccc(Br)c1C(=O)N1CCC([NH+]2CCN(C)CC2)CC1 ZINC000827435678 660495345 /nfs/dbraw/zinc/49/53/45/660495345.db2.gz RVHMSTXAUOLRAY-UHFFFAOYSA-N 1 0 380.330 2.610 20 0 GFADRO CN1CC[NH+](C2CCN(C(=O)CSCc3ccc(Cl)cc3)CC2)CC1 ZINC000827474279 660498583 /nfs/dbraw/zinc/49/85/83/660498583.db2.gz WJJPXQYWGFWBIO-UHFFFAOYSA-N 1 0 381.973 2.812 20 0 GFADRO CC[NH+](CC)CC(=O)N1CC[C@@]2(C)[C@@H](C1)C2(Br)Br ZINC000855322924 661984499 /nfs/dbraw/zinc/98/44/99/661984499.db2.gz UEDRZNNCBNYRMT-PWSUYJOCSA-N 1 0 382.140 2.683 20 0 GFADRO O=C(N[C@@H]1COc2cccc(Br)c2C1)C1CC[NH+](C2CC2)CC1 ZINC000828026660 660527047 /nfs/dbraw/zinc/52/70/47/660527047.db2.gz GDPMQHLSOVNDMV-ZDUSSCGKSA-N 1 0 379.298 2.743 20 0 GFADRO CC(C)N([C@@H]1CC[N@H+](Cc2ccccc2)C1)S(=O)(=O)c1c[nH]nc1Cl ZINC000828075845 660530598 /nfs/dbraw/zinc/53/05/98/660530598.db2.gz LXYLIZYPYKJLKI-OAHLLOKOSA-N 1 0 382.917 2.737 20 0 GFADRO Cc1cc(I)cc(C(=O)N2CC[C@H]3[C@H](CC[N@H+]3C)C2)c1 ZINC000828508960 660552123 /nfs/dbraw/zinc/55/21/23/660552123.db2.gz AQGAXMJDNWVFKU-DOMZBBRYSA-N 1 0 384.261 2.766 20 0 GFADRO C[N@@H+]1CC[C@H]2CN(C(=O)c3cc4ccc(Br)cc4c(=O)o3)CC[C@@H]21 ZINC000828511082 660553201 /nfs/dbraw/zinc/55/32/01/660553201.db2.gz KVGVSAILHZCPQQ-WFASDCNBSA-N 1 0 391.265 2.722 20 0 GFADRO C[N@@H+]1CCC[C@H]2[C@H]1CCN2C(=O)c1cnnn1-c1cccc(Cl)c1Cl ZINC000828959397 660576777 /nfs/dbraw/zinc/57/67/77/660576777.db2.gz NBMSLQRZKKSCEI-OLZOCXBDSA-N 1 0 380.279 2.883 20 0 GFADRO O[C@H]1CC[N@H+](CCNc2nnc(-c3cc(Br)ccc3F)s2)C1 ZINC000624775788 652302611 /nfs/dbraw/zinc/30/26/11/652302611.db2.gz GKSBXYCCWJEFFF-JTQLQIEISA-N 1 0 387.278 2.585 20 0 GFADRO [NH3+]C1(CNC(=O)Nc2nnc(-c3ccc(Cl)cc3F)s2)CCOCC1 ZINC000625884520 652374761 /nfs/dbraw/zinc/37/47/61/652374761.db2.gz WINWVLQSYUIUJB-UHFFFAOYSA-N 1 0 385.852 2.627 20 0 GFADRO O=C1OCCN1C[C@@H]1CC[N@@H+](C[C@H](O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000830096348 660634580 /nfs/dbraw/zinc/63/45/80/660634580.db2.gz YWXVVVBYGMOPFI-OLZOCXBDSA-N 1 0 389.279 2.507 20 0 GFADRO Nc1c(Br)cc(Br)cc1CNC(=O)C[NH+]1CCCC1 ZINC000830246666 660644539 /nfs/dbraw/zinc/64/45/39/660644539.db2.gz CNOWIBKVLICTMI-UHFFFAOYSA-N 1 0 391.107 2.506 20 0 GFADRO COc1ccc([C@H](C[NH3+])Cn2nc(Br)nc2Br)cc1 ZINC000830351085 660649564 /nfs/dbraw/zinc/64/95/64/660649564.db2.gz NPPUKTOMCFGCKW-SECBINFHSA-N 1 0 390.079 2.554 20 0 GFADRO [NH3+][C@@H](CC(=O)Nc1ccc(CCn2cc(Br)cn2)cc1)C1CC1 ZINC000830428615 660655869 /nfs/dbraw/zinc/65/58/69/660655869.db2.gz KDIRDUPQYKCAJD-INIZCTEOSA-N 1 0 377.286 2.954 20 0 GFADRO COC(C[N@@H+]1CC[C@@H](Cc2cccc(I)c2)C1)OC ZINC000830515493 660660925 /nfs/dbraw/zinc/66/09/25/660660925.db2.gz XUGBCHAGBKRKBT-ZDUSSCGKSA-N 1 0 375.250 2.775 20 0 GFADRO CC(C)[NH+]1CCC(N2CCN(C(=O)CC[C@@H]3CC3(Cl)Cl)CC2)CC1 ZINC000830652487 660668892 /nfs/dbraw/zinc/66/88/92/660668892.db2.gz PZMXMPJICCDFAO-OAHLLOKOSA-N 1 0 376.372 2.977 20 0 GFADRO O=C(N1C[C@@H]2C[N@H+](C[C@@H](O)c3ccc(Cl)cc3)CC[C@@H]2C1)C(F)(F)F ZINC000831572645 660713352 /nfs/dbraw/zinc/71/33/52/660713352.db2.gz WHKMKXNIZIPROS-VNHYZAJKSA-N 1 0 376.806 2.716 20 0 GFADRO C[C@@H]1CN(C(=O)c2cnn(-c3ncccc3Cl)c2C(F)(F)Cl)CC[NH2+]1 ZINC000831578027 660713542 /nfs/dbraw/zinc/71/35/42/660713542.db2.gz JYVUSAGWOGBSPA-SECBINFHSA-N 1 0 390.221 2.643 20 0 GFADRO C[N@H+](Cc1ccccc1)C1(CNC(=O)C2SCCCS2)CCOCC1 ZINC000831594961 660714239 /nfs/dbraw/zinc/71/42/39/660714239.db2.gz GRZZMUICOJNTPR-UHFFFAOYSA-N 1 0 380.579 2.980 20 0 GFADRO CS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000831722221 660722390 /nfs/dbraw/zinc/72/23/90/660722390.db2.gz VFUYHMOZCWEGBD-UONOGXRCSA-N 1 0 384.929 2.595 20 0 GFADRO CCS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000831726520 660722899 /nfs/dbraw/zinc/72/28/99/660722899.db2.gz CWMODQQRCOFTMM-UONOGXRCSA-N 1 0 384.929 2.595 20 0 GFADRO COCC[NH+](CCOC)C1CCN(C(=O)C[C@@]2(C)CC2(Cl)Cl)CC1 ZINC000831903539 660735466 /nfs/dbraw/zinc/73/54/66/660735466.db2.gz SQOGKCNNOBESNC-INIZCTEOSA-N 1 0 381.344 2.546 20 0 GFADRO Cn1cc(C[NH2+]CCc2cc(F)cc(F)c2)c(I)n1 ZINC000894218773 663449394 /nfs/dbraw/zinc/44/93/94/663449394.db2.gz LKVAORNKPZMVFW-UHFFFAOYSA-N 1 0 377.176 2.635 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)c1cc(=O)c2cc(Br)ccc2o1 ZINC000832490993 660782876 /nfs/dbraw/zinc/78/28/76/660782876.db2.gz STPQGQKOCPHEMT-CHWSQXEVSA-N 1 0 379.254 2.768 20 0 GFADRO C[N@H+](C[C@@H](O)COc1ccccc1F)C[C@H](O)c1ccccc1Br ZINC000832672020 660793778 /nfs/dbraw/zinc/79/37/78/660793778.db2.gz HPOYEGGSYVOTJS-DYVFJYSZSA-N 1 0 398.272 2.993 20 0 GFADRO CC[NH+]1CCN(CC(C)(C)NS(=O)(=O)/C=C\c2ccccc2Cl)CC1 ZINC000832679674 660794778 /nfs/dbraw/zinc/79/47/78/660794778.db2.gz IEUDUHJPPKJBGV-ZROIWOOFSA-N 1 0 385.961 2.646 20 0 GFADRO COC(=O)c1cccc(C[N@H+](C)C[C@@H](O)c2ccccc2Br)n1 ZINC000832680454 660795143 /nfs/dbraw/zinc/79/51/43/660795143.db2.gz RFDHPMFHUFIQSJ-MRXNPFEDSA-N 1 0 379.254 2.796 20 0 GFADRO CC(C)([NH3+])CNC(=O)c1cnn(-c2ncccc2Cl)c1C(F)(F)Cl ZINC000832796209 660800624 /nfs/dbraw/zinc/80/06/24/660800624.db2.gz FWRASOTZWOAAHU-UHFFFAOYSA-N 1 0 378.210 2.676 20 0 GFADRO O=C(Cc1ccc(Cl)cc1Br)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000833574873 660808476 /nfs/dbraw/zinc/80/84/76/660808476.db2.gz LJBPXUPBPITJAJ-AWEZNQCLSA-N 1 0 389.721 2.608 20 0 GFADRO C[C@@H](CN1CCCC1=O)[NH2+]C[C@@](C)(O)c1ccc(Br)cc1Cl ZINC000834362629 660816239 /nfs/dbraw/zinc/81/62/39/660816239.db2.gz GIFMOQCWDWLAEU-MEDUHNTESA-N 1 0 389.721 2.911 20 0 GFADRO O=C(C1=Cc2cc(Br)ccc2OC1)N1CCC2(C1)CC[NH2+]CC2 ZINC000834437595 660819831 /nfs/dbraw/zinc/81/98/31/660819831.db2.gz JRMZMXKATZAPND-UHFFFAOYSA-N 1 0 377.282 2.827 20 0 GFADRO CC1([NH+]2CCC2)CCC(NC(=O)c2cc(Br)cn3ncnc23)CC1 ZINC000834767546 660832636 /nfs/dbraw/zinc/83/26/36/660832636.db2.gz DAKLBBCAYZYEFO-UHFFFAOYSA-N 1 0 392.301 2.629 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)c2cccnc2SC(F)(F)F)CC12CCOCC2 ZINC000834852861 660835413 /nfs/dbraw/zinc/83/54/13/660835413.db2.gz BIBWYZOMVYZALY-LLVKDONJSA-N 1 0 375.416 2.521 20 0 GFADRO C[C@@H]([NH2+]Cc1cccc(S(=O)(=O)N(C)C)c1)c1ccc(Br)nc1 ZINC000834882138 660836916 /nfs/dbraw/zinc/83/69/16/660836916.db2.gz IJANJADMPQWEKT-GFCCVEGCSA-N 1 0 398.326 2.945 20 0 GFADRO CCC[N@@H+]1CC[C@@H](CNC(=O)NC[C@H](O)c2ccccc2Br)C1 ZINC000836326875 660899938 /nfs/dbraw/zinc/89/99/38/660899938.db2.gz NEQQPYNUESKBMZ-BBRMVZONSA-N 1 0 384.318 2.514 20 0 GFADRO C[C@H](CNC(=O)NC[C@H](O)c1ccccc1Br)[NH+]1CCCCC1 ZINC000836346194 660900683 /nfs/dbraw/zinc/90/06/83/660900683.db2.gz SJRMOBJTHSUKJP-CJNGLKHVSA-N 1 0 384.318 2.656 20 0 GFADRO COc1c[nH+]ccc1N1CCN(C(=O)NCC[C@]2(C)CC2(Cl)Cl)CC1 ZINC000836625897 660923072 /nfs/dbraw/zinc/92/30/72/660923072.db2.gz ZEABAZAXGDMIBX-MRXNPFEDSA-N 1 0 387.311 2.896 20 0 GFADRO Cc1cc(Br)nc(NC(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)c1 ZINC000836760824 660939829 /nfs/dbraw/zinc/93/98/29/660939829.db2.gz SVMCCLGHORAIRQ-CYBMUJFWSA-N 1 0 397.317 2.775 20 0 GFADRO Nc1cc(N)[nH+]c(SCCS(=O)(=O)c2cc(Cl)ccc2Cl)n1 ZINC000011392656 654496877 /nfs/dbraw/zinc/49/68/77/654496877.db2.gz KCHYHZZXHPOFBG-UHFFFAOYSA-N 1 0 379.294 2.514 20 0 GFADRO CC[C@H](C)[NH+]1CCN(C(=O)COc2ccc(C=O)cc2Br)CC1 ZINC000837006250 660964535 /nfs/dbraw/zinc/96/45/35/660964535.db2.gz COMCJVYRYTWXRZ-ZDUSSCGKSA-N 1 0 383.286 2.583 20 0 GFADRO CC[C@H](C)[NH+]1CCN(C(=O)/C=C\c2ccc(I)o2)CC1 ZINC000837006263 660964741 /nfs/dbraw/zinc/96/47/41/660964741.db2.gz CVIYMMUWLSXFAK-HWPRWLFBSA-N 1 0 388.249 2.840 20 0 GFADRO C[C@@H]1C[N@@H+](CCCNC(=O)COc2cc(Cl)ccc2Cl)C[C@H](C)O1 ZINC000021662894 654529166 /nfs/dbraw/zinc/52/91/66/654529166.db2.gz RVMJBVGMBWBFHP-BETUJISGSA-N 1 0 375.296 2.988 20 0 GFADRO CC[C@H]1C[N@H+](CC)CCN1C(=O)COc1ccc(C=O)cc1Br ZINC000836947368 660958218 /nfs/dbraw/zinc/95/82/18/660958218.db2.gz HPHWRISPRDWIHT-AWEZNQCLSA-N 1 0 383.286 2.583 20 0 GFADRO O=c1cc(CN2CC[NH+](C3CCCC3)CC2)nc2ccc(Br)cn12 ZINC000027118598 654562564 /nfs/dbraw/zinc/56/25/64/654562564.db2.gz HVCDRJCBCZVASE-UHFFFAOYSA-N 1 0 391.313 2.517 20 0 GFADRO COCCNc1nn(CN2CC[NH+](Cc3ccccc3)CC2)c(=S)s1 ZINC000028779808 654572977 /nfs/dbraw/zinc/57/29/77/654572977.db2.gz XRAJTKGZRLEDHT-UHFFFAOYSA-N 1 0 379.555 2.508 20 0 GFADRO COc1c(Br)cc(Br)cc1C[NH2+]C[C@@H]1COCCO1 ZINC000037998008 654616291 /nfs/dbraw/zinc/61/62/91/654616291.db2.gz KYIQPXPXFABIDP-LLVKDONJSA-N 1 0 395.091 2.725 20 0 GFADRO COC(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@H](C)[N@@H+]2CCCC[C@@H]2C)c1 ZINC000032441251 654603235 /nfs/dbraw/zinc/60/32/35/654603235.db2.gz JSIBESQYNUZPAG-STQMWFEESA-N 1 0 388.917 2.668 20 0 GFADRO CCCN(C1CC[NH2+]CC1)S(=O)(=O)c1ccc(Br)c(C)c1 ZINC000037537973 654615230 /nfs/dbraw/zinc/61/52/30/654615230.db2.gz UYEBLVKRUOKLDM-UHFFFAOYSA-N 1 0 375.332 2.910 20 0 GFADRO O=C(NCC[NH+]1CCCCC1)C(=O)Nc1ccc(Br)cc1Cl ZINC000041135185 654622904 /nfs/dbraw/zinc/62/29/04/654622904.db2.gz XTJCBVDVNUKCBQ-UHFFFAOYSA-N 1 0 388.693 2.643 20 0 GFADRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)c2cn(-c3ccccc3Br)nn2)C1 ZINC000837186156 660976232 /nfs/dbraw/zinc/97/62/32/660976232.db2.gz NOZGAJAMJRIINN-CYBMUJFWSA-N 1 0 392.301 2.585 20 0 GFADRO C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)Nc2ccc(Cl)cc2Cl)C[C@H](C)O1 ZINC000041275583 654625241 /nfs/dbraw/zinc/62/52/41/654625241.db2.gz JZNTVSILAKYKMZ-TXEJJXNPSA-N 1 0 388.295 2.547 20 0 GFADRO CC(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccccc2Br)CC1 ZINC000041277465 654625452 /nfs/dbraw/zinc/62/54/52/654625452.db2.gz NMUHCQODRRRFSX-UHFFFAOYSA-N 1 0 382.302 2.624 20 0 GFADRO C[S@@](=O)Cc1cccc(C(=O)NCC2([NH+]3CCSCC3)CCCC2)c1 ZINC000041423532 654626747 /nfs/dbraw/zinc/62/67/47/654626747.db2.gz GEZQMYXTWHELTG-VWLOTQADSA-N 1 0 380.579 2.657 20 0 GFADRO Cc1cc(NC(=O)C(=O)NCC[N@H+]2CCCC[C@H]2C)ccc1Br ZINC000041663978 654629267 /nfs/dbraw/zinc/62/92/67/654629267.db2.gz VFJIOAQYDOILCL-CYBMUJFWSA-N 1 0 382.302 2.687 20 0 GFADRO CC[NH+]1CCN(CCCNC(=S)Nc2cccc(Br)c2)CC1 ZINC000041746754 654630547 /nfs/dbraw/zinc/63/05/47/654630547.db2.gz HTXWAGPQKOQBFP-UHFFFAOYSA-N 1 0 385.375 2.763 20 0 GFADRO Cc1ccc(S(=O)(=O)N2CCN(c3cc[nH+]cc3)CC2)c(Br)c1 ZINC000044770543 654663529 /nfs/dbraw/zinc/66/35/29/654663529.db2.gz PUMPCBSCGHMYTF-UHFFFAOYSA-N 1 0 396.310 2.663 20 0 GFADRO Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC000044863106 654664245 /nfs/dbraw/zinc/66/42/45/654664245.db2.gz ANAMXUIKEXFQOT-MRXNPFEDSA-N 1 0 381.929 2.726 20 0 GFADRO CC(C)[NH+](CCNC(=O)CCN1C(=S)N=NC1c1cccs1)C(C)C ZINC000045819577 654671491 /nfs/dbraw/zinc/67/14/91/654671491.db2.gz JAKBWBKYGQPACC-UHFFFAOYSA-N 1 0 381.571 2.920 20 0 GFADRO CN(Cc1ccccc1Br)C(=O)C[N@H+](C[C@@H]1CCOC1)C1CC1 ZINC000046091658 654674985 /nfs/dbraw/zinc/67/49/85/654674985.db2.gz YFZKEYSPQPKODW-AWEZNQCLSA-N 1 0 381.314 2.908 20 0 GFADRO C[C@@H](CNC(=O)c1c(Br)nc2n1CCCC2)[N@@H+]1CCC[C@@H](C)C1 ZINC000837346595 660987996 /nfs/dbraw/zinc/98/79/96/660987996.db2.gz SDTHIVMYEYPYAI-OLZOCXBDSA-N 1 0 383.334 2.832 20 0 GFADRO C[C@H](CNC(=O)c1c(Br)nc2n1CCCC2)[N@@H+]1CCCC[C@@H]1C ZINC000837347013 660988068 /nfs/dbraw/zinc/98/80/68/660988068.db2.gz UECQAXOXKAPAGP-QWHCGFSZSA-N 1 0 383.334 2.975 20 0 GFADRO COc1cccc([C@@H](CNC(=O)CSc2nncs2)[NH+]2CCCC2)c1 ZINC000048168694 654702969 /nfs/dbraw/zinc/70/29/69/654702969.db2.gz JAAVWMNRAVWFMR-OAHLLOKOSA-N 1 0 378.523 2.592 20 0 GFADRO C[NH+]1CCN(c2cc(CNC(=O)/C=C/c3ccc(Cl)s3)ccn2)CC1 ZINC000048334905 654705031 /nfs/dbraw/zinc/70/50/31/654705031.db2.gz AVGZKZCKWODDDK-HWKANZROSA-N 1 0 376.913 2.878 20 0 GFADRO O=C(NC[C@H](O)C(F)(F)F)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000048741045 654712513 /nfs/dbraw/zinc/71/25/13/654712513.db2.gz ICRKMYVEKJSYRL-AWEZNQCLSA-N 1 0 379.810 2.527 20 0 GFADRO Cn1cc(Br)cc1C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000048975146 654713905 /nfs/dbraw/zinc/71/39/05/654713905.db2.gz DDJSCJBGSLNELQ-UHFFFAOYSA-N 1 0 386.359 2.879 20 0 GFADRO C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000049958763 654716656 /nfs/dbraw/zinc/71/66/56/654716656.db2.gz ZPFYFUNVKYXYBT-DOMZBBRYSA-N 1 0 379.913 2.939 20 0 GFADRO CC(C)c1cc(Br)ccc1NC(=O)C(=O)NCC1CC[NH+](C)CC1 ZINC000122017171 654728348 /nfs/dbraw/zinc/72/83/48/654728348.db2.gz ZNHUZZNFOQVPJB-UHFFFAOYSA-N 1 0 396.329 2.969 20 0 GFADRO CCCN(CC[NH+](CC)CC)Cc1nnnn1-c1ccccc1Br ZINC000122611505 654740441 /nfs/dbraw/zinc/74/04/41/654740441.db2.gz KBHQEYGZMHOVGV-UHFFFAOYSA-N 1 0 395.349 2.979 20 0 GFADRO C[C@H](CS(=O)(=O)c1ccccc1)[NH2+][C@@H]1CCN(c2ncccc2Cl)C1 ZINC000122693672 654742767 /nfs/dbraw/zinc/74/27/67/654742767.db2.gz IQEPUFGRORTDGB-HUUCEWRRSA-N 1 0 379.913 2.766 20 0 GFADRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2c(Br)nc3n2CCCC3)C1 ZINC000837480037 661000708 /nfs/dbraw/zinc/00/07/08/661000708.db2.gz FXUKQEJDLWNQQL-OLZOCXBDSA-N 1 0 381.318 2.538 20 0 GFADRO Cc1ccc(NC(=O)NC2CCN(CC[NH+](C)C)CC2)c(Br)c1 ZINC000123498070 654757769 /nfs/dbraw/zinc/75/77/69/654757769.db2.gz YCMSBSDWIDPWPE-UHFFFAOYSA-N 1 0 383.334 2.905 20 0 GFADRO CC1CC[NH+](CCNC(=O)c2c(F)cccc2I)CC1 ZINC000123761282 654762688 /nfs/dbraw/zinc/76/26/88/654762688.db2.gz ZAXRZFAQQVJNHY-UHFFFAOYSA-N 1 0 390.240 2.892 20 0 GFADRO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)NC[C@H](C1CC1)[NH+](C)C ZINC000123844470 654765193 /nfs/dbraw/zinc/76/51/93/654765193.db2.gz RNGPBFOTPFLQEB-CQSZACIVSA-N 1 0 393.281 2.934 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CNC(=S)NCc1cc(OC)ccc1Br ZINC000054939772 654765695 /nfs/dbraw/zinc/76/56/95/654765695.db2.gz BRKZQSJFJRINTD-ZDUSSCGKSA-N 1 0 386.359 2.906 20 0 GFADRO O=C(N[C@H]1CCC[NH2+]C1)[C@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000123978967 654767595 /nfs/dbraw/zinc/76/75/95/654767595.db2.gz GZTRSSVVDQBRKX-KBPBESRZSA-N 1 0 384.307 2.714 20 0 GFADRO COc1ccc(Br)c(S(=O)(=O)N[C@H](C[NH3+])C2CCCCC2)c1 ZINC000124248025 654772592 /nfs/dbraw/zinc/77/25/92/654772592.db2.gz AVKXUENNORVXLS-CQSZACIVSA-N 1 0 391.331 2.644 20 0 GFADRO CN(CC[NH+]1CCCC1)C(=O)C(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000124250508 654772703 /nfs/dbraw/zinc/77/27/03/654772703.db2.gz CMTLUJQMNZBPLC-UHFFFAOYSA-N 1 0 377.794 2.852 20 0 GFADRO O=C(CCCCc1ccc(I)cc1)N[C@H]1CCC[NH2+]C1 ZINC000124259366 654772955 /nfs/dbraw/zinc/77/29/55/654772955.db2.gz ACSFXDUAWQJZST-HNNXBMFYSA-N 1 0 386.277 2.872 20 0 GFADRO CCC[N@H+](CCC(=O)Nc1ccc(Br)cc1F)CC(=O)N(C)C ZINC000056510356 654796202 /nfs/dbraw/zinc/79/62/02/654796202.db2.gz WUSHXRXSFKEQQW-UHFFFAOYSA-N 1 0 388.281 2.717 20 0 GFADRO C[N@@H+](Cc1cccc(C(N)=O)c1)C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000056514695 654796581 /nfs/dbraw/zinc/79/65/81/654796581.db2.gz AYTOCXCNOQVEPV-CQSZACIVSA-N 1 0 383.275 2.964 20 0 GFADRO C[C@@H](C[NH+]1CCCCC1)NC(=O)/C=C/c1ccc(I)o1 ZINC000125907004 654804995 /nfs/dbraw/zinc/80/49/95/654804995.db2.gz RIRZPXFGQBSGLY-WMADIVHISA-N 1 0 388.249 2.888 20 0 GFADRO CN(C)S(=O)(=O)CCC[N@@H+]1CCC[C@H]1c1cccc(Br)c1 ZINC000057872417 654810971 /nfs/dbraw/zinc/81/09/71/654810971.db2.gz HTQYDVFJCMDZMD-HNNXBMFYSA-N 1 0 375.332 2.868 20 0 GFADRO Cc1ccc(S(=O)(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)c(Cl)c1 ZINC000127423268 654829579 /nfs/dbraw/zinc/82/95/79/654829579.db2.gz NXGKZWXUFMSGRZ-IRXDYDNUSA-N 1 0 386.945 2.695 20 0 GFADRO C[C@H](CNC(=O)N(C)C[C@@H](O)c1ccccc1Br)[NH+]1CCCCC1 ZINC000837767247 661015317 /nfs/dbraw/zinc/01/53/17/661015317.db2.gz LTEPPZUIHYSMEN-RHSMWYFYSA-N 1 0 398.345 2.998 20 0 GFADRO O=S(=O)(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1ccc(F)cc1Cl ZINC000127518333 654831171 /nfs/dbraw/zinc/83/11/71/654831171.db2.gz ZQERVEQMHKRBOF-CVEARBPZSA-N 1 0 390.908 2.525 20 0 GFADRO CC(C)[NH+](CCNC(=O)c1ccc(Cl)c(NS(C)(=O)=O)c1)C(C)C ZINC000061367410 654838432 /nfs/dbraw/zinc/83/84/32/654838432.db2.gz GVVBLVNOMMJUTI-UHFFFAOYSA-N 1 0 375.922 2.560 20 0 GFADRO O=C(COc1ccc(Br)cc1F)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000128259035 654843711 /nfs/dbraw/zinc/84/37/11/654843711.db2.gz OWETUDMFFKKQMG-ZDUSSCGKSA-N 1 0 385.277 2.911 20 0 GFADRO C[N@H+](CCNC(=O)c1ccc(Cl)c(I)c1)C1CC1 ZINC000063116800 654848985 /nfs/dbraw/zinc/84/89/85/654848985.db2.gz RAZHGVHWLXGXDV-UHFFFAOYSA-N 1 0 378.641 2.769 20 0 GFADRO C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)CN1CCCC1=O ZINC000063118882 654849260 /nfs/dbraw/zinc/84/92/60/654849260.db2.gz DOELRVBLDKSZRT-UHFFFAOYSA-N 1 0 386.323 2.896 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCCCN1S(=O)(=O)c1ccc(Br)cc1Cl ZINC000063193882 654850312 /nfs/dbraw/zinc/85/03/12/654850312.db2.gz PVAGFSHEDWGZMN-CABZTGNLSA-N 1 0 381.723 2.993 20 0 GFADRO CC(C)[N@@H+]1CC[C@H](CNC(=O)[C@@H](C)NC(=O)c2cccc(Cl)c2Cl)C1 ZINC000063706393 654856456 /nfs/dbraw/zinc/85/64/56/654856456.db2.gz IICXLRJMIFYKKG-CHWSQXEVSA-N 1 0 386.323 2.958 20 0 GFADRO Cc1sc(=O)n(CC(=O)NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)c1C ZINC000129653039 654870514 /nfs/dbraw/zinc/87/05/14/654870514.db2.gz QRRCUHKGQUNOSZ-PBHICJAKSA-N 1 0 379.551 2.787 20 0 GFADRO [NH3+]C[C@@H]1CCN(C(=O)c2c(Cl)ccc(I)c2F)C1 ZINC000911739552 664254718 /nfs/dbraw/zinc/25/47/18/664254718.db2.gz XWKDXLJCKNBEEA-ZETCQYMHSA-N 1 0 382.604 2.505 20 0 GFADRO C[NH+](C)C[C@H]1CCN(C(=O)N[C@H]2CCN(c3ccc(Br)cc3)C2)C1 ZINC000129880918 654876014 /nfs/dbraw/zinc/87/60/14/654876014.db2.gz VSOQDAOGUOQRGB-ZBFHGGJFSA-N 1 0 395.345 2.621 20 0 GFADRO C[C@H]1C[C@@H](N(C)S(=O)(=O)c2ccc(F)c(Br)c2)CC[N@@H+]1C ZINC000266454521 654880046 /nfs/dbraw/zinc/88/00/46/654880046.db2.gz OUPXPUVLIKUBGD-QWRGUYRKSA-N 1 0 379.295 2.691 20 0 GFADRO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NC[C@@H](O)c1c(Cl)cccc1Cl ZINC000266555482 654885156 /nfs/dbraw/zinc/88/51/56/654885156.db2.gz IVTYTLOICIGUAU-NVXWUHKLSA-N 1 0 389.323 2.936 20 0 GFADRO CC[C@@H](Cc1cccc(Br)c1)C(=O)NCC1(O)CC[NH+](C)CC1 ZINC000266694217 654889986 /nfs/dbraw/zinc/88/99/86/654889986.db2.gz DELJYWZRBOMLRY-HNNXBMFYSA-N 1 0 383.330 2.591 20 0 GFADRO Cc1ccc(S(=O)(=O)NCC[NH2+]Cc2csc(Br)c2)cc1 ZINC000065977233 654891937 /nfs/dbraw/zinc/89/19/37/654891937.db2.gz HCINNMXQVHPVGM-UHFFFAOYSA-N 1 0 389.340 2.887 20 0 GFADRO FC(F)(F)COCCC[NH+]1CCN(C(=S)NCc2cccs2)CC1 ZINC000066010726 654892903 /nfs/dbraw/zinc/89/29/03/654892903.db2.gz QHAFQUXHROVHAB-UHFFFAOYSA-N 1 0 381.489 2.709 20 0 GFADRO CC(=O)Nc1ccc(C[NH2+]C[C@H](O)COc2ccccc2Br)cc1 ZINC000130974926 654894759 /nfs/dbraw/zinc/89/47/59/654894759.db2.gz KIFAWVDAKQYSEI-INIZCTEOSA-N 1 0 393.281 2.937 20 0 GFADRO CC[C@@H](C)[N@H+](C)CCNC(=O)NCc1cc2c(c(Br)c1)OCO2 ZINC000066189593 654896333 /nfs/dbraw/zinc/89/63/33/654896333.db2.gz YUYZVPZFXCAQAK-LLVKDONJSA-N 1 0 386.290 2.707 20 0 GFADRO O=C(CSc1cc2c(cc1Cl)OCCO2)NC1CC[NH+](C2CC2)CC1 ZINC000066262113 654898873 /nfs/dbraw/zinc/89/88/73/654898873.db2.gz DYWUJKCVSSETTQ-UHFFFAOYSA-N 1 0 382.913 2.946 20 0 GFADRO C[C@@H]1CCC[C@H](C)[N@H+]1CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000066531878 654905514 /nfs/dbraw/zinc/90/55/14/654905514.db2.gz TZNPMDZXQOXHDX-BETUJISGSA-N 1 0 387.933 2.792 20 0 GFADRO C[C@@H](NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1ccc(Br)c(F)c1 ZINC000131461229 654907841 /nfs/dbraw/zinc/90/78/41/654907841.db2.gz UIASIPNNMCWUEG-OCCSQVGLSA-N 1 0 386.309 2.826 20 0 GFADRO C[N@@H+]1CCC[C@H](CNC(=O)CNC(=O)c2cccs2)[C@@H]1c1cccs1 ZINC000131638306 654912313 /nfs/dbraw/zinc/91/23/13/654912313.db2.gz YDVYOKJQQNIRSV-CXAGYDPISA-N 1 0 377.535 2.739 20 0 GFADRO COCC[NH+]1CCN(Cc2cccc(Br)c2OC(F)F)CC1 ZINC000131703662 654914484 /nfs/dbraw/zinc/91/44/84/654914484.db2.gz XUWKVKLEGLWANP-UHFFFAOYSA-N 1 0 379.245 2.815 20 0 GFADRO O=C(c1c(F)cccc1Br)N1CC[NH+](CC2CCOCC2)CC1 ZINC000267195449 654916542 /nfs/dbraw/zinc/91/65/42/654916542.db2.gz CVZYDKAUNIWRON-UHFFFAOYSA-N 1 0 385.277 2.773 20 0 GFADRO CN(Cc1ccc(Br)o1)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000267215710 654917765 /nfs/dbraw/zinc/91/77/65/654917765.db2.gz SYFQFKUADGPOSM-AWEZNQCLSA-N 1 0 376.320 2.621 20 0 GFADRO COC(=O)[C@H](C)Sc1ccccc1C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000267226017 654918928 /nfs/dbraw/zinc/91/89/28/654918928.db2.gz IZXUYEGIBLEZDD-SCLBCKFNSA-N 1 0 382.551 2.507 20 0 GFADRO O[C@@H](C[NH2+]Cc1ccsc1)COc1ccc(I)cc1 ZINC000066992946 654924556 /nfs/dbraw/zinc/92/45/56/654924556.db2.gz CVKHWHYIZVEMTF-ZDUSSCGKSA-N 1 0 389.258 2.882 20 0 GFADRO O=C(/C=C/c1cc(Br)cs1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000267417401 654927886 /nfs/dbraw/zinc/92/78/86/654927886.db2.gz WEQYMQVNZAMLBV-ZIYVKSGCSA-N 1 0 385.327 2.705 20 0 GFADRO CC(C)[C@H](CNC(=O)c1cc(Br)cn1C(C)C)[NH+]1CCN(C)CC1 ZINC000132386530 654936124 /nfs/dbraw/zinc/93/61/24/654936124.db2.gz CGLLJMBJSFKCFO-KRWDZBQOSA-N 1 0 399.377 2.833 20 0 GFADRO CSCC[C@@H]1NC(=S)N(C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1=O ZINC000067507294 654939756 /nfs/dbraw/zinc/93/97/56/654939756.db2.gz JHVJOUMOGYKBIF-SJORKVTESA-N 1 0 377.579 2.737 20 0 GFADRO CSc1nc2ccc(NC(=O)C(=O)N3CCC[C@@H]([NH+](C)C)C3)cc2s1 ZINC000267668020 654941254 /nfs/dbraw/zinc/94/12/54/654941254.db2.gz CFZSLRPABNJIQG-GFCCVEGCSA-N 1 0 378.523 2.509 20 0 GFADRO COc1c(Cl)cc(NC(=O)C(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cc1Cl ZINC000267890015 654950321 /nfs/dbraw/zinc/95/03/21/654950321.db2.gz IJIYIZNDEZTJBO-MWLCHTKSSA-N 1 0 386.279 2.682 20 0 GFADRO O=C(Nc1cc(Br)c[nH]c1=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000068221091 654957825 /nfs/dbraw/zinc/95/78/25/654957825.db2.gz UNXCYVMTEYJUFS-UHFFFAOYSA-N 1 0 376.254 2.986 20 0 GFADRO Cc1ccc(-n2cnnc2SCC(=O)N[C@H](C)CC[NH+](C)C)cc1Cl ZINC000068470013 654963686 /nfs/dbraw/zinc/96/36/86/654963686.db2.gz RRSIMSPLHQNJMJ-CYBMUJFWSA-N 1 0 381.933 2.778 20 0 GFADRO CSCC[C@@H](NC(=O)c1ccccc1Cl)C(=O)N[C@H](C)CC[NH+](C)C ZINC000068474795 654963752 /nfs/dbraw/zinc/96/37/52/654963752.db2.gz ZNFJTFARIFBJRS-CZUORRHYSA-N 1 0 385.961 2.648 20 0 GFADRO COC1CC[NH+](CCNC(=O)c2cc(Cl)cc(Br)c2)CC1 ZINC000133623078 654968913 /nfs/dbraw/zinc/96/89/13/654968913.db2.gz MVURKQFHXJGXJK-UHFFFAOYSA-N 1 0 375.694 2.943 20 0 GFADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)NC1(c2c(Cl)cccc2Cl)CC1 ZINC000268405076 654969879 /nfs/dbraw/zinc/96/98/79/654969879.db2.gz KKDBCPYCUAIPCL-ZDUSSCGKSA-N 1 0 385.339 2.918 20 0 GFADRO CO[C@H](CNC(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1)C(F)(F)F ZINC000838470830 661047062 /nfs/dbraw/zinc/04/70/62/661047062.db2.gz FUOMWMKLAWDGGI-LLVKDONJSA-N 1 0 379.345 2.622 20 0 GFADRO CC(C)[NH+]1CCC(O)(CNC(=O)c2cc3ccc(Br)cc3[nH]2)CC1 ZINC000268449369 654972145 /nfs/dbraw/zinc/97/21/45/654972145.db2.gz IAJMHNVCVLQPCT-UHFFFAOYSA-N 1 0 394.313 2.896 20 0 GFADRO C[NH+](C)CCCCNC(=O)c1cc(F)c(F)cc1I ZINC000268495313 654974887 /nfs/dbraw/zinc/97/48/87/654974887.db2.gz NHZDHLOZTHZAQL-UHFFFAOYSA-N 1 0 382.192 2.641 20 0 GFADRO CN(C[C@H](O)c1ccccc1Br)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000838506251 661047836 /nfs/dbraw/zinc/04/78/36/661047836.db2.gz KCLJHPZJWVFJNG-KEYYUXOJSA-N 1 0 398.345 2.997 20 0 GFADRO Cc1cc(C(=O)N(C)CC[N@H+](C)C2CCN(C)CC2)c(Br)s1 ZINC000268525176 654976462 /nfs/dbraw/zinc/97/64/62/654976462.db2.gz VSOIRTBWOOYSGR-UHFFFAOYSA-N 1 0 388.375 2.917 20 0 GFADRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)Nc1nc(-c2cccs2)cs1 ZINC000133918320 654977201 /nfs/dbraw/zinc/97/72/01/654977201.db2.gz VCEPEYNGGDJTRU-LBPRGKRZSA-N 1 0 378.523 2.610 20 0 GFADRO C[NH2+][C@H]1CCCN(C(=O)c2nn(-c3ccc(F)cc3)cc2Br)C1 ZINC000134039319 654981610 /nfs/dbraw/zinc/98/16/10/654981610.db2.gz UWFXEQQVQNQTEW-LBPRGKRZSA-N 1 0 381.249 2.598 20 0 GFADRO O=C(COc1ccc(Cl)c(Cl)c1)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000069711950 654985706 /nfs/dbraw/zinc/98/57/06/654985706.db2.gz BWSWHNJHBKOKKI-CQSZACIVSA-N 1 0 387.307 2.943 20 0 GFADRO CC[C@H](C(=O)NCC1(c2ccc(Br)cc2)CCOCC1)[NH+](C)C ZINC000268798636 654987175 /nfs/dbraw/zinc/98/71/75/654987175.db2.gz FMIZKJRDDZIMBD-MRXNPFEDSA-N 1 0 383.330 2.954 20 0 GFADRO OC[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1Nc1ncncc1Br ZINC000268807222 654987449 /nfs/dbraw/zinc/98/74/49/654987449.db2.gz KXKCVAVTGNFNNZ-ZBFHGGJFSA-N 1 0 377.286 2.534 20 0 GFADRO C[C@@H]([NH2+][C@@H](C)Cn1cc(Br)cn1)c1ccc2c(c1)CC(=O)N2C ZINC000268825689 654988128 /nfs/dbraw/zinc/98/81/28/654988128.db2.gz BCHIVNAOVDRRBN-NWDGAFQWSA-N 1 0 377.286 2.904 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)N1CCC[N@@H+](C(C)C)CC1 ZINC000069989455 654991335 /nfs/dbraw/zinc/99/13/35/654991335.db2.gz ULKIEJJSUDIPCB-UHFFFAOYSA-N 1 0 396.329 2.947 20 0 GFADRO C[N@H+](CC(=O)Nc1ccc(I)cc1)[C@H](CO)C(C)(C)C ZINC000134368053 654992322 /nfs/dbraw/zinc/99/23/22/654992322.db2.gz PTOMJMZIRUZREX-CYBMUJFWSA-N 1 0 390.265 2.569 20 0 GFADRO O=C(NCc1ccc(O)c(Br)c1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000269026550 654995518 /nfs/dbraw/zinc/99/55/18/654995518.db2.gz KLNYIUYMVYMSNG-CQSZACIVSA-N 1 0 382.302 2.925 20 0 GFADRO O=C(NCC[NH+]1CCCCC1)C(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000070841630 654996002 /nfs/dbraw/zinc/99/60/02/654996002.db2.gz PLLGFPSPRJJTJG-UHFFFAOYSA-N 1 0 377.794 2.899 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)C(=O)NCC[N@H+]1CCC[C@@H](C)C1 ZINC000071010237 654998089 /nfs/dbraw/zinc/99/80/89/654998089.db2.gz SLAXYLIXVQGBAC-GFCCVEGCSA-N 1 0 382.302 2.544 20 0 GFADRO C[C@H](NC(=O)c1ccc(I)c(F)c1)[C@@H]1CCC[NH2+]C1 ZINC000269225537 655002164 /nfs/dbraw/zinc/00/21/64/655002164.db2.gz UNOQEBONCDSQNM-GXSJLCMTSA-N 1 0 376.213 2.548 20 0 GFADRO Cc1cc(S(=O)(=O)[N-]c2ccc(N3CC[C@H]([NH+](C)C)C3)cn2)c(C)s1 ZINC000269422574 655008872 /nfs/dbraw/zinc/00/88/72/655008872.db2.gz JEDJRZNWJKZWND-HNNXBMFYSA-N 1 0 380.539 2.701 20 0 GFADRO O=C(Cc1cc(Br)ccc1F)NCC1([NH+]2CCCC2)CCOCC1 ZINC000269471293 655010544 /nfs/dbraw/zinc/01/05/44/655010544.db2.gz UOXJAAXPEURIBR-UHFFFAOYSA-N 1 0 399.304 2.892 20 0 GFADRO C[NH+]1CCC(O)(CNC(=O)c2cc(C(F)(F)F)ccc2Br)CC1 ZINC000269514693 655012065 /nfs/dbraw/zinc/01/20/65/655012065.db2.gz IRNDAYHIYJUTTF-UHFFFAOYSA-N 1 0 395.219 2.654 20 0 GFADRO COC(=O)[C@@H](O)C1CC[NH+](CCC(=O)Nc2cc(Cl)ccc2Cl)CC1 ZINC000135359452 655014544 /nfs/dbraw/zinc/01/45/44/655014544.db2.gz PULWAJIZNBYXGN-INIZCTEOSA-N 1 0 389.279 2.568 20 0 GFADRO CCOc1c(Br)cc(C[N@H+](C)CCN2CCOCC2)cc1OC ZINC000092974683 655016417 /nfs/dbraw/zinc/01/64/17/655016417.db2.gz YMFNXBMPHJYILC-UHFFFAOYSA-N 1 0 387.318 2.620 20 0 GFADRO C[NH+](C)C[C@H]1CCN(C(=O)[C@H](c2ccc(Br)cc2)N2CCCC2)C1 ZINC000135562791 655020392 /nfs/dbraw/zinc/02/03/92/655020392.db2.gz KAGBDZAPCHNWOY-QAPCUYQASA-N 1 0 394.357 2.996 20 0 GFADRO C[NH+](C)C[C@@H]1CCN(C(=O)[C@H](c2ccc(Br)cc2)N2CCCC2)C1 ZINC000135562774 655020510 /nfs/dbraw/zinc/02/05/10/655020510.db2.gz KAGBDZAPCHNWOY-YJBOKZPZSA-N 1 0 394.357 2.996 20 0 GFADRO C[NH+](C)C1CCN(c2ccc(NC(=O)C[C@H]3CSCCS3)nc2)CC1 ZINC000269764577 655020771 /nfs/dbraw/zinc/02/07/71/655020771.db2.gz DPEPJNRLNCGDPH-INIZCTEOSA-N 1 0 380.583 2.789 20 0 GFADRO COc1c(Br)cc(Br)cc1C[NH2+]C[C@@H]1CCC(=O)N1 ZINC000096715522 655032030 /nfs/dbraw/zinc/03/20/30/655032030.db2.gz YWGAKKWHPPQIRM-JTQLQIEISA-N 1 0 392.091 2.588 20 0 GFADRO C[N@@H+]1CCC[C@H]2CN(C(=O)NCCNc3ncc(Cl)cc3Cl)CC[C@@H]21 ZINC000136890953 655036591 /nfs/dbraw/zinc/03/65/91/655036591.db2.gz XVGRURYCPBGFHW-WFASDCNBSA-N 1 0 386.327 2.926 20 0 GFADRO C[NH+](C)CCn1cc(NC(=O)/C=C/c2csc(Br)c2)ccc1=O ZINC000270301824 655040500 /nfs/dbraw/zinc/04/05/00/655040500.db2.gz YNVZLTIBPORFSO-HWKANZROSA-N 1 0 396.310 2.886 20 0 GFADRO CC[N@H+](CCNC(=O)CNC(=O)c1sc2ccccc2c1Cl)C1CC1 ZINC000101958407 655049193 /nfs/dbraw/zinc/04/91/93/655049193.db2.gz YOGAJSOELSAXGF-UHFFFAOYSA-N 1 0 379.913 2.885 20 0 GFADRO NC(=O)[C@@H]([NH2+]C1CCN(CC(F)(F)F)CC1)c1cccc(Br)c1 ZINC000270645435 655052057 /nfs/dbraw/zinc/05/20/57/655052057.db2.gz ZIEVMPPWAHICGA-ZDUSSCGKSA-N 1 0 394.235 2.592 20 0 GFADRO C[C@@H]1C[N@@H+](CC2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)C[C@H](C)O1 ZINC000102661118 655057416 /nfs/dbraw/zinc/05/74/16/655057416.db2.gz OHLWWQVEIMBJFA-GASCZTMLSA-N 1 0 386.945 2.850 20 0 GFADRO CCc1nc2c(s1)[C@H]([N@H+](C)CCc1ccc(S(N)(=O)=O)cc1)CCC2 ZINC000152556243 655059872 /nfs/dbraw/zinc/05/98/72/655059872.db2.gz OYKWPHDHTFGXAR-MRXNPFEDSA-N 1 0 379.551 2.905 20 0 GFADRO C[C@@H](C(=O)N1CCC([N@H+](C)CCCO)CC1)c1ccc(Br)cc1 ZINC000270924517 655060351 /nfs/dbraw/zinc/06/03/51/655060351.db2.gz FTKOQYKIGQNAMM-CQSZACIVSA-N 1 0 383.330 2.858 20 0 GFADRO O=C(NCCCO)C1CC[NH+](Cc2ccc(OC(F)F)c(Cl)c2)CC1 ZINC000271046949 655064830 /nfs/dbraw/zinc/06/48/30/655064830.db2.gz MLXHHPOKDUZLAB-UHFFFAOYSA-N 1 0 376.831 2.652 20 0 GFADRO O=C(Nc1ccc(=O)n(Cc2ccc(Cl)c(Cl)c2)c1)[C@@]1(F)CC[NH2+]C1 ZINC000153589653 655068510 /nfs/dbraw/zinc/06/85/10/655068510.db2.gz LKMSPXMJZJYALG-QGZVFWFLSA-N 1 0 384.238 2.844 20 0 GFADRO Cc1cccc(CN(CC[NH+](C)C)S(=O)(=O)Cc2ccc(Cl)nc2)c1 ZINC000103162047 655068598 /nfs/dbraw/zinc/06/85/98/655068598.db2.gz AEQNKRPXGHPLRB-UHFFFAOYSA-N 1 0 381.929 2.937 20 0 GFADRO COc1sc(C[N@H+](C)C[C@H](O)COCCOC(C)C)cc1Br ZINC000271166159 655068685 /nfs/dbraw/zinc/06/86/85/655068685.db2.gz ZLQHVVVGYWAXDC-LBPRGKRZSA-N 1 0 396.347 2.754 20 0 GFADRO COCCN(CC(F)F)C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000103515029 655074208 /nfs/dbraw/zinc/07/42/08/655074208.db2.gz WVWHPCFZCGWXRH-AWEZNQCLSA-N 1 0 375.485 2.883 20 0 GFADRO C[C@H]([NH2+]CCC(=O)N1CCCC1)c1ccc(Br)cc1OCCCO ZINC000839017540 661068175 /nfs/dbraw/zinc/06/81/75/661068175.db2.gz JMMSKNOATYDHCB-AWEZNQCLSA-N 1 0 399.329 2.873 20 0 GFADRO C[N@@H+]1CC[C@@H](CNC(=O)CSCc2ccc(Br)cc2F)C1 ZINC000104186069 655079250 /nfs/dbraw/zinc/07/92/50/655079250.db2.gz KQHFECNJKFMRQR-NSHDSACASA-N 1 0 375.307 2.889 20 0 GFADRO CC(C)(C)[S@](=O)CCNC(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000155024984 655080222 /nfs/dbraw/zinc/08/02/22/655080222.db2.gz RWZGFKWZFVCABT-VWLOTQADSA-N 1 0 389.631 2.585 20 0 GFADRO COc1cc[nH+]c(N2CCN(C(=O)Cc3ccccc3Br)CC2)c1 ZINC000104521612 655081590 /nfs/dbraw/zinc/08/15/90/655081590.db2.gz SFISSZLUIMVJSI-UHFFFAOYSA-N 1 0 390.281 2.744 20 0 GFADRO NC(=O)[C@@H]([NH2+]CCc1ccc2c(c1)OCO2)c1ccc(Br)cc1 ZINC000105400425 655092399 /nfs/dbraw/zinc/09/23/99/655092399.db2.gz YTSLUTUCRRMJPJ-INIZCTEOSA-N 1 0 377.238 2.537 20 0 GFADRO COc1c(Cl)cc(NC(=O)N2CC[N@H+](C[C@@H](C)O)[C@H](C)C2)cc1Cl ZINC000271819854 655095496 /nfs/dbraw/zinc/09/54/96/655095496.db2.gz PWNFPTXQYBFIBJ-GHMZBOCLSA-N 1 0 376.284 2.921 20 0 GFADRO Cc1ccc(C[NH2+][C@@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)c(Br)c1 ZINC000271824262 655095811 /nfs/dbraw/zinc/09/58/11/655095811.db2.gz ADNRQAZUVSBUEQ-ZBFHGGJFSA-N 1 0 388.327 2.583 20 0 GFADRO C[C@@H](O)C[N@@H+]1CCN(Cc2nnc(-c3ccc(Cl)cc3Cl)o2)C[C@@H]1C ZINC000106097677 655102439 /nfs/dbraw/zinc/10/24/39/655102439.db2.gz HVKLZDCDCZGZQY-NWDGAFQWSA-N 1 0 385.295 2.930 20 0 GFADRO CC[C@@H]1CN([C@@H](C)C(=O)Nc2ccccc2Br)CC[N@@H+]1C[C@@H](C)O ZINC000106102510 655102716 /nfs/dbraw/zinc/10/27/16/655102716.db2.gz REMFQPGLAYTABZ-QLFBSQMISA-N 1 0 398.345 2.553 20 0 GFADRO Cc1c(C(=O)N2CC[C@H]([C@@H](C)[NH3+])C2)cnn1-c1ccc(Br)cc1 ZINC000272180508 655105232 /nfs/dbraw/zinc/10/52/32/655105232.db2.gz DCUOCLBYHQEBOK-YPMHNXCESA-N 1 0 377.286 2.753 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCN(C(=O)c2ccc(I)cc2Cl)C1 ZINC000272287874 655108024 /nfs/dbraw/zinc/10/80/24/655108024.db2.gz PCLNAYQXFYKZJS-IUCAKERBSA-N 1 0 378.641 2.754 20 0 GFADRO COC(=O)c1cc(NC(=O)N2CC[C@H]3CC[N@H+](C)C[C@H]32)ccc1Br ZINC000272436928 655112607 /nfs/dbraw/zinc/11/26/07/655112607.db2.gz OAANNCUOVRHBRS-IAQYHMDHSA-N 1 0 396.285 2.794 20 0 GFADRO COc1cc([C@H](C)[NH2+]CCOCC(F)(F)F)ccc1S(=O)(=O)C(F)F ZINC000159361004 655113614 /nfs/dbraw/zinc/11/36/14/655113614.db2.gz OZJWHYCPDGQVMA-VIFPVBQESA-N 1 0 391.358 2.921 20 0 GFADRO C[NH+]1CCC(C)(CNC(=O)c2c(F)cccc2I)CC1 ZINC000272476577 655114229 /nfs/dbraw/zinc/11/42/29/655114229.db2.gz ALUOQZHMCFZEBM-UHFFFAOYSA-N 1 0 390.240 2.892 20 0 GFADRO CC(C)[C@@H](C(=O)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1)[NH+](C)C ZINC000106906318 655114221 /nfs/dbraw/zinc/11/42/21/655114221.db2.gz YTKNNZPASXWHAU-INIZCTEOSA-N 1 0 386.323 2.864 20 0 GFADRO Cc1c(Br)cccc1NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000106963337 655115792 /nfs/dbraw/zinc/11/57/92/655115792.db2.gz FMFLPWXKLHABGI-ZDUSSCGKSA-N 1 0 394.313 2.829 20 0 GFADRO C[C@H]([NH2+]C1CCN(CCS(C)(=O)=O)CC1)c1ccc(Br)s1 ZINC000159914853 655117656 /nfs/dbraw/zinc/11/76/56/655117656.db2.gz KBBKIJXLUAYCCO-NSHDSACASA-N 1 0 395.388 2.670 20 0 GFADRO O=S1(=O)CC[C@@]2(C1)C[C@H]([NH2+]Cc1ccc(SC(F)F)cc1)CCO2 ZINC000272690271 655119038 /nfs/dbraw/zinc/11/90/38/655119038.db2.gz DFBXVHJSTLFXPB-CJNGLKHVSA-N 1 0 377.478 2.827 20 0 GFADRO OC[C@@H]([NH2+]C[C@H](O)COc1ccc(F)cc1)c1ccc(Br)cc1 ZINC000272971877 655126920 /nfs/dbraw/zinc/12/69/20/655126920.db2.gz CHFPDFHJDYJINZ-DOTOQJQBSA-N 1 0 384.245 2.651 20 0 GFADRO CC(C)[C@H]([NH3+])CCN(C)C(=O)CN1C(=S)N=NC1c1ccc(Cl)cc1 ZINC000161950846 655129223 /nfs/dbraw/zinc/12/92/23/655129223.db2.gz OFAVDOKPJBLLIZ-CQSZACIVSA-N 1 0 381.933 2.719 20 0 GFADRO CCC[NH+]1CCC(CNC(=O)c2sccc2S(=O)(=O)C(F)F)CC1 ZINC000108264106 655130120 /nfs/dbraw/zinc/13/01/20/655130120.db2.gz AUZBYOHNKVFVDR-UHFFFAOYSA-N 1 0 380.482 2.596 20 0 GFADRO O=C(CN1CCC[C@H]([NH+]2CCCCC2)C1)Nc1ccc(Br)cn1 ZINC000108380903 655131634 /nfs/dbraw/zinc/13/16/34/655131634.db2.gz BQUUJZQKTUDULY-HNNXBMFYSA-N 1 0 381.318 2.733 20 0 GFADRO CC[NH+]1CCN(CC(C)(C)NC(=O)c2cc(F)c(Cl)nc2Cl)CC1 ZINC000839433494 661083755 /nfs/dbraw/zinc/08/37/55/661083755.db2.gz IHERERAOCGGWLG-UHFFFAOYSA-N 1 0 377.291 2.673 20 0 GFADRO C[N@@H+]1CCC[C@@H](CNC(=O)N[C@@H]2CCN(c3ccc(Br)cc3)C2)C1 ZINC000108573794 655134993 /nfs/dbraw/zinc/13/49/93/655134993.db2.gz OVFJADYMRNGDIW-GOEBONIOSA-N 1 0 395.345 2.669 20 0 GFADRO CCOC(=O)c1cnn(C)c1NC(=O)C[NH2+][C@H](CC)c1ccc(Cl)s1 ZINC000273218896 655135488 /nfs/dbraw/zinc/13/54/88/655135488.db2.gz ADPNYJSTOAEBSL-LLVKDONJSA-N 1 0 384.889 2.991 20 0 GFADRO Cn1ncc(C(=O)Nc2ccc3ccn(CC[NH+](C)C)c3c2)c1Br ZINC000273287626 655138145 /nfs/dbraw/zinc/13/81/45/655138145.db2.gz XMMCOGPDHVQUQN-UHFFFAOYSA-N 1 0 390.285 2.951 20 0 GFADRO Cn1ncc(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)c1Br ZINC000273317352 655138936 /nfs/dbraw/zinc/13/89/36/655138936.db2.gz YJCGGSSWGQUVFK-UHFFFAOYSA-N 1 0 377.286 2.577 20 0 GFADRO CCc1nc2c(s1)[C@@H]([NH2+]C1CCN(S(=O)(=O)C(F)(F)F)CC1)CCC2 ZINC000168080444 655143068 /nfs/dbraw/zinc/14/30/68/655143068.db2.gz CGGXVKJISVCXSH-NSHDSACASA-N 1 0 397.488 2.987 20 0 GFADRO O=C(NC[C@@H]1CCC[N@H+]1CCCO)Nc1ccc(SC(F)(F)F)nc1 ZINC000839174660 661074640 /nfs/dbraw/zinc/07/46/40/661074640.db2.gz NWIIDPQKRFOEKK-LBPRGKRZSA-N 1 0 378.420 2.662 20 0 GFADRO C[C@H](Sc1ccccc1Cl)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000110542670 655156886 /nfs/dbraw/zinc/15/68/86/655156886.db2.gz RUNFFLXNDFCJMZ-KBPBESRZSA-N 1 0 383.945 2.524 20 0 GFADRO CC[N@@H+]1CCCN(C(=O)[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)CC1 ZINC000110815404 655160180 /nfs/dbraw/zinc/16/01/80/655160180.db2.gz YDZLMCFPMDPSKR-AWEZNQCLSA-N 1 0 384.307 2.901 20 0 GFADRO Cn1c2ccc(Cl)cc2n(CN2CC[C@@H](C[NH+]3CCOCC3)C2)c1=S ZINC000172935890 655160962 /nfs/dbraw/zinc/16/09/62/655160962.db2.gz PBVPSJBLKNQDIR-AWEZNQCLSA-N 1 0 380.945 2.974 20 0 GFADRO COCCC(=O)N1CCC([NH2+][C@@H](C)c2cc(Br)ncc2F)CC1 ZINC000273888267 655162989 /nfs/dbraw/zinc/16/29/89/655162989.db2.gz SQHRWVSGTZBKGW-NSHDSACASA-N 1 0 388.281 2.661 20 0 GFADRO CC[N@@H+]1CCCC[C@H]1CNC(=O)CSc1nnc(-c2cccs2)n1C ZINC000110997877 655163217 /nfs/dbraw/zinc/16/32/17/655163217.db2.gz VRUXPJUZVVKLQE-ZDUSSCGKSA-N 1 0 379.555 2.626 20 0 GFADRO CNC(=O)[C@@H]1CCC[N@H+](CCOc2ccc(Cl)cc2Br)C1 ZINC000111267350 655167759 /nfs/dbraw/zinc/16/77/59/655167759.db2.gz DTHZEUUGOJPXLU-LLVKDONJSA-N 1 0 375.694 2.939 20 0 GFADRO CC[NH+](CC)C[C@@H]1CCN(Cn2nc(N(C(C)=O)C3CC3)sc2=S)C1 ZINC000173430169 655171731 /nfs/dbraw/zinc/17/17/31/655171731.db2.gz VBTBNCNMXZEHAC-AWEZNQCLSA-N 1 0 383.587 2.811 20 0 GFADRO Brc1cc(-c2nc([C@@H]3C[N@@H+]4CCC[C@H]4CO3)no2)cc2c1OCO2 ZINC000274113367 655173657 /nfs/dbraw/zinc/17/36/57/655173657.db2.gz VURTUPDQPLSPFG-GWCFXTLKSA-N 1 0 394.225 2.764 20 0 GFADRO COCCOC[C@H]1CC[N@H+](CCC(=O)Nc2ccccc2Br)C1 ZINC000173734982 655178723 /nfs/dbraw/zinc/17/87/23/655178723.db2.gz XWTGZNTWAKFWLX-AWEZNQCLSA-N 1 0 385.302 2.763 20 0 GFADRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)c1cnn(C)c1Br ZINC000274283325 655183661 /nfs/dbraw/zinc/18/36/61/655183661.db2.gz ZFFCEOHCTBEBHU-UHFFFAOYSA-N 1 0 379.302 2.907 20 0 GFADRO CCCC[N@H+](C)CCNC(=O)[C@H]1CCN(c2ccccc2Br)C1=O ZINC000112311175 655188428 /nfs/dbraw/zinc/18/84/28/655188428.db2.gz WUEFZYCFLVVSOL-CQSZACIVSA-N 1 0 396.329 2.650 20 0 GFADRO CC[NH+](CC)[C@H]1CCN(S(=O)(=O)c2cc(Cl)c(NC(C)=O)cc2F)C1 ZINC000173993251 655188784 /nfs/dbraw/zinc/18/87/84/655188784.db2.gz RWWWHOQRXSXRKE-LBPRGKRZSA-N 1 0 391.896 2.542 20 0 GFADRO C[N@H+](C[C@@H](O)COc1ccccc1)C[C@@H](O)c1cccc(Br)c1 ZINC000839637287 661097450 /nfs/dbraw/zinc/09/74/50/661097450.db2.gz WPHHOYRSFSFNCR-SJLPKXTDSA-N 1 0 380.282 2.854 20 0 GFADRO NC(=O)[C@@]1(c2ccccc2)CC[N@H+](C[C@H](O)c2cccc(Br)c2)C1 ZINC000839638800 661097593 /nfs/dbraw/zinc/09/75/93/661097593.db2.gz ATYXLUDONSKZJG-HKUYNNGSSA-N 1 0 389.293 2.612 20 0 GFADRO Cc1nc2n(n1)C[C@@H]([NH2+][C@H](C)C(=O)Nc1ccc(Br)c(C)c1)CC2 ZINC000112549142 655193249 /nfs/dbraw/zinc/19/32/49/655193249.db2.gz IMDWNJHFQTYISS-RISCZKNCSA-N 1 0 392.301 2.589 20 0 GFADRO O=C(Nc1ccc(I)cc1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000174289095 655197317 /nfs/dbraw/zinc/19/73/17/655197317.db2.gz RSBVKIXSNPWBJF-CQSZACIVSA-N 1 0 383.233 2.769 20 0 GFADRO C[C@](O)(C[NH2+][C@H](CO)[C@H]1CCCOC1)c1ccc(Br)cc1Cl ZINC000839650113 661098522 /nfs/dbraw/zinc/09/85/22/661098522.db2.gz INQBLTVIMWZLIW-XZJROXQQSA-N 1 0 392.721 2.687 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)c2ccc(Oc3cccc(Cl)c3Cl)nc2)CCO1 ZINC000274722936 655198923 /nfs/dbraw/zinc/19/89/23/655198923.db2.gz BPZXYXZIPKMMGL-GFCCVEGCSA-N 1 0 382.247 2.980 20 0 GFADRO COC1CC[NH+](C(C)(C)CNC(=O)c2nc(Br)sc2C)CC1 ZINC000839666888 661099230 /nfs/dbraw/zinc/09/92/30/661099230.db2.gz QAAOTTKGJALXEX-UHFFFAOYSA-N 1 0 390.347 2.833 20 0 GFADRO CN(C)c1ncc(Br)cc1C(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000113012421 655201668 /nfs/dbraw/zinc/20/16/68/655201668.db2.gz LBPGVBXOCFWJEA-MRXNPFEDSA-N 1 0 391.313 2.943 20 0 GFADRO O=C(NC[C@H](O)c1c(F)cccc1Cl)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000839689922 661099997 /nfs/dbraw/zinc/09/99/97/661099997.db2.gz BBQMPLXXOPBZBF-CJNGLKHVSA-N 1 0 386.920 2.846 20 0 GFADRO C[NH+](C)CCN(C(=O)c1cc(I)c[nH]1)C1CCCC1 ZINC000115383463 655236491 /nfs/dbraw/zinc/23/64/91/655236491.db2.gz YPEGYRMIWPCROX-UHFFFAOYSA-N 1 0 375.254 2.566 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2cc(Cl)c(N)c(Cl)c2)C[C@@H]1C ZINC000839499033 661087927 /nfs/dbraw/zinc/08/79/27/661087927.db2.gz NCGJOOMHALHIMY-CMPLNLGQSA-N 1 0 387.311 2.845 20 0 GFADRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)Nc1cccc(Br)c1 ZINC000113646358 655213238 /nfs/dbraw/zinc/21/32/38/655213238.db2.gz CXZKXQDTZAQAKP-OAHLLOKOSA-N 1 0 382.302 2.768 20 0 GFADRO C[NH+](C)C1(CNC(=O)c2cc3c(cc(Br)cc3F)[nH]2)CCOCC1 ZINC000113990627 655216949 /nfs/dbraw/zinc/21/69/49/655216949.db2.gz TUBSMJXOVOBKRD-UHFFFAOYSA-N 1 0 398.276 2.910 20 0 GFADRO C[C@@H]([NH2+][C@@H](C)c1cn[nH]c1)C(=O)Nc1cccc(I)c1 ZINC000275181316 655221567 /nfs/dbraw/zinc/22/15/67/655221567.db2.gz NCAHPBFYWMNFQF-VHSXEESVSA-N 1 0 384.221 2.692 20 0 GFADRO C[NH+](C)C[C@H]1CCN(C(=O)N[C@H]2CCOc3ccc(Br)cc32)C1 ZINC000275344931 655230821 /nfs/dbraw/zinc/23/08/21/655230821.db2.gz VOPWQKJGAXUHCN-DOMZBBRYSA-N 1 0 382.302 2.866 20 0 GFADRO CCC[N@H+](CC)C[C@H](C)NC(=O)C(=O)Nc1cc(Cl)c(N)c(Cl)c1 ZINC000839559304 661092021 /nfs/dbraw/zinc/09/20/21/661092021.db2.gz ILHHKWFPKXZHKS-JTQLQIEISA-N 1 0 375.300 2.751 20 0 GFADRO Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1[NH2+]C[C@@H](O)c1ccccc1Br ZINC000275369906 655232391 /nfs/dbraw/zinc/23/23/91/655232391.db2.gz XSWVAGUFRFCBGL-JZXOWHBKSA-N 1 0 394.313 2.953 20 0 GFADRO C[NH+](C)CCc1ccc(NC(=O)c2cc(I)c[nH]2)cc1 ZINC000115361295 655236085 /nfs/dbraw/zinc/23/60/85/655236085.db2.gz IQQIZSNHYQMZPB-UHFFFAOYSA-N 1 0 383.233 2.976 20 0 GFADRO O=C(c1cc(I)c[nH]1)N1CCC[C@H]([NH+]2CCCCC2)C1 ZINC000115375286 655236314 /nfs/dbraw/zinc/23/63/14/655236314.db2.gz XMMGUCDXCCCQQL-ZDUSSCGKSA-N 1 0 387.265 2.710 20 0 GFADRO C[C@@H](CNC(=O)c1cc(I)c[nH]1)[N@H+](C)Cc1ccccc1 ZINC000115379431 655236690 /nfs/dbraw/zinc/23/66/90/655236690.db2.gz HFHQDSIGXZFIGL-LBPRGKRZSA-N 1 0 397.260 2.870 20 0 GFADRO Cc1cc(CCC(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)ccc1Br ZINC000176180382 655238617 /nfs/dbraw/zinc/23/86/17/655238617.db2.gz VXNLJSDXGQVHTE-QGZVFWFLSA-N 1 0 395.341 2.871 20 0 GFADRO O=C(NC1CC[NH+](CCOc2cc(F)cc(Br)c2)CC1)C1CC1 ZINC000275509618 655239712 /nfs/dbraw/zinc/23/97/12/655239712.db2.gz SOHZHPZKXAWMJV-UHFFFAOYSA-N 1 0 385.277 2.958 20 0 GFADRO Cn1ccnc1CN(C(=O)c1ccc(Br)o1)[C@H]1CC12CC[NH2+]CC2 ZINC000275574519 655242741 /nfs/dbraw/zinc/24/27/41/655242741.db2.gz GMMSRAQORIMSIR-ZDUSSCGKSA-N 1 0 393.285 2.560 20 0 GFADRO C[C@@](O)(CNC(=O)C1CC[NH+]([C@H]2CCSC2)CC1)c1ccccc1Cl ZINC000839724595 661102675 /nfs/dbraw/zinc/10/26/75/661102675.db2.gz JFTQWGAWKAFCNL-HNAYVOBHSA-N 1 0 382.957 2.881 20 0 GFADRO Cn1ccnc1[C@H]1OCC[C@@H]1[NH2+]Cc1cc2c(c(Br)c1)OCO2 ZINC000275666901 655246351 /nfs/dbraw/zinc/24/63/51/655246351.db2.gz VJNMXGANMCEHTN-WFASDCNBSA-N 1 0 380.242 2.531 20 0 GFADRO C[C@H]([NH2+]C[C@H]1CCn2ncc(C(N)=O)c2C1)c1cccc(Br)c1 ZINC000275697968 655247580 /nfs/dbraw/zinc/24/75/80/655247580.db2.gz XINNDCLHEHAORS-RYUDHWBXSA-N 1 0 377.286 2.658 20 0 GFADRO CC(C)[C@H](Oc1ccccc1Br)C(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000116789495 655253658 /nfs/dbraw/zinc/25/36/58/655253658.db2.gz IYBDMJLYOQWSGC-PBHICJAKSA-N 1 0 399.329 2.642 20 0 GFADRO NC(=O)[C@@H]1CCCN1CCC[NH2+][C@@H](c1ccc(Br)s1)C1CC1 ZINC000275973719 655256982 /nfs/dbraw/zinc/25/69/82/655256982.db2.gz XHYDXHNNEWWELL-SWLSCSKDSA-N 1 0 386.359 2.891 20 0 GFADRO C[NH+](C)C1(CNC(=O)c2ncc(Br)cc2Br)CCC1 ZINC000276016716 655258993 /nfs/dbraw/zinc/25/89/93/655258993.db2.gz QLCOMPATJYPUJV-UHFFFAOYSA-N 1 0 391.107 2.821 20 0 GFADRO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)c1cc(=O)[nH]c2c(Br)cccc12 ZINC000176895507 655259499 /nfs/dbraw/zinc/25/94/99/655259499.db2.gz ZFFXIEFBYXTKGX-OAHLLOKOSA-N 1 0 392.297 2.703 20 0 GFADRO COc1ccc2c(c1)[C@H]([NH2+]C[C@@H](O)CS(=O)(=O)c1cccs1)CCS2 ZINC000276112934 655262647 /nfs/dbraw/zinc/26/26/47/655262647.db2.gz IDOXYBWKAYATIZ-IUODEOHRSA-N 1 0 399.559 2.718 20 0 GFADRO Cc1cc(S(=O)(=O)N(CC[NH+](C)C)Cc2cccc(F)c2)cnc1Cl ZINC000117362034 655264976 /nfs/dbraw/zinc/26/49/76/655264976.db2.gz HJGWFXVNMIIMAB-UHFFFAOYSA-N 1 0 385.892 2.935 20 0 GFADRO COc1cc(C(=O)N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cc(OC)c1Br ZINC000177035156 655265497 /nfs/dbraw/zinc/26/54/97/655265497.db2.gz WFXKBTHIXKTAGT-PWSUYJOCSA-N 1 0 383.286 2.821 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)c2cnn(-c3cccc(Br)c3)c2)C[N@@H+]1C1CC1 ZINC000177048958 655266179 /nfs/dbraw/zinc/26/61/79/655266179.db2.gz DHGQAXHTMFBSTQ-DOMZBBRYSA-N 1 0 389.297 2.990 20 0 GFADRO C[C@H]([NH2+]C[C@H](O)c1ccc(Cl)cc1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000177194953 655270299 /nfs/dbraw/zinc/27/02/99/655270299.db2.gz ZBQMTBNSXUFAGL-UGSOOPFHSA-N 1 0 382.913 2.975 20 0 GFADRO Cc1csc(C(=O)N2CCC[C@@H]2C[NH+](C)C)c1I ZINC000276301491 655270487 /nfs/dbraw/zinc/27/04/87/655270487.db2.gz CUORHXOKZQTVIH-SNVBAGLBSA-N 1 0 378.279 2.827 20 0 GFADRO CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)Nc1ccc(C)c(Br)c1 ZINC000118126395 655272165 /nfs/dbraw/zinc/27/21/65/655272165.db2.gz QPNUZHXWEDYZDI-AWEZNQCLSA-N 1 0 382.302 2.687 20 0 GFADRO C[C@H](CNC(=O)C(=O)Nc1ccc(Cl)cc1C(F)(F)F)[N@H+](C)C1CC1 ZINC000118129409 655272486 /nfs/dbraw/zinc/27/24/86/655272486.db2.gz VORXJSHUIMQTNR-SECBINFHSA-N 1 0 377.794 2.896 20 0 GFADRO O=C(NCCC[NH+]1CCC(O)CC1)c1cc(Br)ccc1Cl ZINC000118722677 655281181 /nfs/dbraw/zinc/28/11/81/655281181.db2.gz FPAGHMBHMXGXLK-UHFFFAOYSA-N 1 0 375.694 2.679 20 0 GFADRO C[NH+](C)CC(C)(C)CNC(=O)C(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000118896533 655283139 /nfs/dbraw/zinc/28/31/39/655283139.db2.gz JVMWWXJMTCQXOK-UHFFFAOYSA-N 1 0 377.819 2.584 20 0 GFADRO CS[C@H](CO)[C@H](C)NC(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000118963130 655284631 /nfs/dbraw/zinc/28/46/31/655284631.db2.gz QKFKUAFTXOGGAY-ZMSDIMECSA-N 1 0 385.599 2.933 20 0 GFADRO C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CCCO[C@H]1CCOC1 ZINC000119031013 655287153 /nfs/dbraw/zinc/28/71/53/655287153.db2.gz OQAKCXRRIHZQSZ-BBRMVZONSA-N 1 0 385.302 2.951 20 0 GFADRO O=C(NCCC[NH+]1CCCC1)c1c(F)cccc1I ZINC000177751662 655287538 /nfs/dbraw/zinc/28/75/38/655287538.db2.gz GPKHNDBRSDDIHI-UHFFFAOYSA-N 1 0 376.213 2.646 20 0 GFADRO C[C@@H]1C[N@@H+](CCCCNC(=O)c2cc(Br)ccc2O)C[C@H](C)O1 ZINC000119105255 655290508 /nfs/dbraw/zinc/29/05/08/655290508.db2.gz QWXZCKUEBLOSPA-BETUJISGSA-N 1 0 385.302 2.774 20 0 GFADRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2ccccc2I)C1 ZINC000119203895 655292990 /nfs/dbraw/zinc/29/29/90/655292990.db2.gz XSOAIOLUHFGEHG-DOMZBBRYSA-N 1 0 384.261 2.848 20 0 GFADRO NC(=O)C1(C[NH2+][C@H]2CCCOc3ccc(Br)cc32)CCOCC1 ZINC000177966754 655293152 /nfs/dbraw/zinc/29/31/52/655293152.db2.gz MRWPKKYDTOZTFK-AWEZNQCLSA-N 1 0 383.286 2.535 20 0 GFADRO CCO[C@@H](CC[NH+](C)C)CNC(=O)Nc1cc(OC)ccc1Br ZINC000119282177 655296758 /nfs/dbraw/zinc/29/67/58/655296758.db2.gz NDURFMCKZXPZDS-ZDUSSCGKSA-N 1 0 388.306 2.936 20 0 GFADRO O=C(CCc1ccccc1Br)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000178094237 655297609 /nfs/dbraw/zinc/29/76/09/655297609.db2.gz LZXKFWWOZPUNOF-OAHLLOKOSA-N 1 0 381.314 2.562 20 0 GFADRO C[N@H+](CCCO)C1CCN(C(=O)c2cc(Br)c(F)cc2F)CC1 ZINC000277242997 655309347 /nfs/dbraw/zinc/30/93/47/655309347.db2.gz CVNBIIQINDIUIM-UHFFFAOYSA-N 1 0 391.256 2.646 20 0 GFADRO C[C@H](CC[NH+](C)C)NC(=O)c1nc(Br)ccc1Br ZINC000277276572 655310764 /nfs/dbraw/zinc/31/07/64/655310764.db2.gz PDMYNQURTZXVCZ-MRVPVSSYSA-N 1 0 379.096 2.677 20 0 GFADRO CC[C@H](CO)[NH+]1CCN(C(=O)CCSc2nc3ccccc3s2)CC1 ZINC000179396552 655313089 /nfs/dbraw/zinc/31/30/89/655313089.db2.gz BMNASXQZYHBWLY-CQSZACIVSA-N 1 0 379.551 2.694 20 0 GFADRO O=C([C@H]1CCC[N@@H+](C[C@@H](O)c2ccc(Cl)cc2Cl)C1)N1CCOCC1 ZINC000179461221 655313923 /nfs/dbraw/zinc/31/39/23/655313923.db2.gz NPQNNQCNHVTBPI-SUMWQHHRSA-N 1 0 387.307 2.598 20 0 GFADRO Cc1[nH]cc(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c(=O)c1Br ZINC000119798709 655315903 /nfs/dbraw/zinc/31/59/03/655315903.db2.gz CMWTWPTXHGXKAK-DOMZBBRYSA-N 1 0 394.313 2.947 20 0 GFADRO CCS(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@@H]2CC[N@H+](CC(C)C)C2)c1 ZINC000119862068 655318738 /nfs/dbraw/zinc/31/87/38/655318738.db2.gz BXQRABGWKAFTTE-AWEZNQCLSA-N 1 0 386.945 2.841 20 0 GFADRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)c1 ZINC000180120128 655322341 /nfs/dbraw/zinc/32/23/41/655322341.db2.gz LYTJMXBQYUUMFA-NSHDSACASA-N 1 0 377.894 2.811 20 0 GFADRO C[C@@H]([NH2+]C[C@@H](O)c1cc2ccccc2s1)c1ccc(S(N)(=O)=O)cc1 ZINC000180152478 655322760 /nfs/dbraw/zinc/32/27/60/655322760.db2.gz CWTPCSUBXHAEBS-MLGOLLRUSA-N 1 0 376.503 2.933 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)Nc1cc(Br)ccc1F ZINC000120051928 655326032 /nfs/dbraw/zinc/32/60/32/655326032.db2.gz JBMSDJJQXVXKEN-LLVKDONJSA-N 1 0 386.265 2.517 20 0 GFADRO Cc1nc(NC(=O)CCc2c[nH]cn2)sc1C1N=NC(=S)N1C1CC1 ZINC000280037678 655328973 /nfs/dbraw/zinc/32/89/73/655328973.db2.gz WOIBFUAJIUSKIW-UHFFFAOYSA-N 1 0 375.483 2.628 20 0 GFADRO C[C@H]1C[NH+](CCCNC(=O)CCOc2ccccc2Br)C[C@H](C)O1 ZINC000120314706 655334848 /nfs/dbraw/zinc/33/48/48/655334848.db2.gz YZHJARNIHLBYNO-GJZGRUSLSA-N 1 0 399.329 2.834 20 0 GFADRO OC[C@]1([NH2+]C[C@@H](O)c2ccc(F)c(Br)c2)CCOc2ccccc21 ZINC000281611933 655336336 /nfs/dbraw/zinc/33/63/36/655336336.db2.gz GRSLICJHPGCYIW-SJLPKXTDSA-N 1 0 396.256 2.882 20 0 GFADRO C[N@@H+]1CCN(CCNC(=O)/C=C/c2cc(Br)cs2)CC1(C)C ZINC000281828466 655338553 /nfs/dbraw/zinc/33/85/53/655338553.db2.gz RSIIMPWEQOEYEI-SNAWJCMRSA-N 1 0 386.359 2.666 20 0 GFADRO O=C(NCC1CC[NH2+]CC1)[C@@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1 ZINC000120625571 655340828 /nfs/dbraw/zinc/34/08/28/655340828.db2.gz OJNZMHRWRZCTLI-INIZCTEOSA-N 1 0 384.307 2.714 20 0 GFADRO CN(Cn1nc2ccc(Br)cn2c1=S)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000839994920 661122452 /nfs/dbraw/zinc/12/24/52/661122452.db2.gz GZYHMRFOSJFRNS-ZDUSSCGKSA-N 1 0 382.331 2.754 20 0 GFADRO CC[NH+](CC)CCCC1CCN(S(=O)(=O)c2ncn(C)c2Cl)CC1 ZINC000182378486 655343799 /nfs/dbraw/zinc/34/37/99/655343799.db2.gz HOFPAJQWGRHNEP-UHFFFAOYSA-N 1 0 376.954 2.596 20 0 GFADRO CC[NH+]1CCN([C@H](C)CNC(=O)c2ccc(Br)cc2Cl)CC1 ZINC000120888639 655346025 /nfs/dbraw/zinc/34/60/25/655346025.db2.gz JZOUVZGWRQRPIU-GFCCVEGCSA-N 1 0 388.737 2.858 20 0 GFADRO COc1cc(C(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)cc(OC)c1Br ZINC000289336691 655346874 /nfs/dbraw/zinc/34/68/74/655346874.db2.gz WHMLLCOVCVLWNZ-KRWDZBQOSA-N 1 0 383.286 2.682 20 0 GFADRO C[C@@H]1C[N@H+](CCCNCc2cn3ccc(Br)cc3n2)CCCO1 ZINC000289411564 655348466 /nfs/dbraw/zinc/34/84/66/655348466.db2.gz BMTLEBTUZCBWIA-CQSZACIVSA-N 1 0 381.318 2.687 20 0 GFADRO C[C@H](C[NH2+][C@H](CNC(=O)OC(C)(C)C)C1CCCCC1)CS(C)(=O)=O ZINC000183323307 655350578 /nfs/dbraw/zinc/35/05/78/655350578.db2.gz OFNGBITYAUYRPM-GDBMZVCRSA-N 1 0 376.563 2.730 20 0 GFADRO COC[C@@H]1CC[N@H+](CN2C(=O)C[C@](C)(c3ccc(Cl)c(Cl)c3)C2=O)C1 ZINC000840008208 661124186 /nfs/dbraw/zinc/12/41/86/661124186.db2.gz SJDAOGKIDROICA-KZULUSFZSA-N 1 0 385.291 2.936 20 0 GFADRO CC(C)C[C@H](CNc1cnn(-c2ccccn2)c(=O)c1Br)[NH+](C)C ZINC000292756446 655354208 /nfs/dbraw/zinc/35/42/08/655354208.db2.gz KRPSFMAKWZKTSA-CYBMUJFWSA-N 1 0 394.317 2.778 20 0 GFADRO C#CC[NH+]1CCC(C(=O)N2CCN(c3c(Cl)cccc3Cl)CC2)CC1 ZINC000184180200 655355584 /nfs/dbraw/zinc/35/55/84/655355584.db2.gz HHBBPIXMNCEBGM-UHFFFAOYSA-N 1 0 380.319 2.987 20 0 GFADRO Cn1cc(Br)c(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)n1 ZINC000293142851 655359208 /nfs/dbraw/zinc/35/92/08/655359208.db2.gz RFSIMZZLRAGPHJ-UHFFFAOYSA-N 1 0 377.286 2.708 20 0 GFADRO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)c1ccn(-c2ccc(Br)cc2)n1 ZINC000293152525 655359522 /nfs/dbraw/zinc/35/95/22/655359522.db2.gz BIGYNVAWRLQENC-CYBMUJFWSA-N 1 0 389.297 2.849 20 0 GFADRO COc1ccc(C(=O)N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)nc1Br ZINC000293764211 655361586 /nfs/dbraw/zinc/36/15/86/655361586.db2.gz UQGDWBGJTFMTLO-GFCCVEGCSA-N 1 0 382.302 2.799 20 0 GFADRO Cc1nccn1C[C@H](C)CNC(=O)[C@@](C)([NH3+])c1ccc(Br)cc1 ZINC000293978575 655363671 /nfs/dbraw/zinc/36/36/71/655363671.db2.gz BNDYUKSJDCWEHX-PXAZEXFGSA-N 1 0 379.302 2.580 20 0 GFADRO Cc1ccc(-n2nc(Br)cc2C(=O)N[C@H]2C[NH2+]CC[C@@H]2C)cc1 ZINC000186704899 655371022 /nfs/dbraw/zinc/37/10/22/655371022.db2.gz XUIGXIKPTNCTNF-JSGCOSHPSA-N 1 0 377.286 2.671 20 0 GFADRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000186884992 655371742 /nfs/dbraw/zinc/37/17/42/655371742.db2.gz DZDRAUHUTLKKIV-WBMJQRKESA-N 1 0 389.323 2.721 20 0 GFADRO COCCC1(C[NH2+]CC2CCN(S(=O)(=O)C(F)F)CC2)CCCCC1 ZINC000189197180 655385229 /nfs/dbraw/zinc/38/52/29/655385229.db2.gz UVYAVDZNCHLQMX-UHFFFAOYSA-N 1 0 382.517 2.827 20 0 GFADRO C[N@@H+]1CC[C@H](CNS(=O)(=O)C[C@@H]2CCCCO2)[C@@H]1c1cccc(Cl)c1 ZINC000363218554 655391725 /nfs/dbraw/zinc/39/17/25/655391725.db2.gz JRGXCQJAXKBTSG-NJAFHUGGSA-N 1 0 386.945 2.821 20 0 GFADRO Cc1cc(Br)ccc1C[NH2+]C[C@@H]1CCC[C@]12NC(=O)N(C)C2=O ZINC000366035799 655398337 /nfs/dbraw/zinc/39/83/37/655398337.db2.gz WJUPEYCIVNMEND-GUYCJALGSA-N 1 0 380.286 2.568 20 0 GFADRO O=C([C@@H]1CCN(c2cc(Cl)ccc2Cl)C1=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000366587462 655400088 /nfs/dbraw/zinc/40/00/88/655400088.db2.gz DXNKSCXQEPQAQK-CORIIIEPSA-N 1 0 382.291 2.557 20 0 GFADRO Cn1nccc1CC[N@@H+]1CCC[C@@H]1C(=O)Nc1ccc(Br)cc1 ZINC000374764178 655401973 /nfs/dbraw/zinc/40/19/73/655401973.db2.gz HFXWVTSWAOSIEX-MRXNPFEDSA-N 1 0 377.286 2.828 20 0 GFADRO COCC[N@@H+]1CCC[C@H](NC(=O)c2cccc(Br)c2Cl)C1 ZINC000398875198 655402505 /nfs/dbraw/zinc/40/25/05/655402505.db2.gz BMBYFSNQZZGBPI-NSHDSACASA-N 1 0 375.694 2.943 20 0 GFADRO [NH3+]C[C@H](NC(=O)N(CCO)Cc1cccc(Br)c1)C1CCCCC1 ZINC000418353382 655405707 /nfs/dbraw/zinc/40/57/07/655405707.db2.gz CZURYHFDAKGALI-KRWDZBQOSA-N 1 0 398.345 2.861 20 0 GFADRO C[C@@H]1CN(C(=O)NCC(F)(F)c2ccc(Cl)cc2)[C@@H](C)C[N@@H+]1CCO ZINC000419502946 655406847 /nfs/dbraw/zinc/40/68/47/655406847.db2.gz GGTVEYBZJRQAMB-OLZOCXBDSA-N 1 0 375.847 2.528 20 0 GFADRO C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000420406958 655407539 /nfs/dbraw/zinc/40/75/39/655407539.db2.gz ROCDGDPIZCKTAV-KDOFPFPSSA-N 1 0 380.330 2.624 20 0 GFADRO O=S1(=O)CCC([NH2+]Cc2cc(Cl)cc(I)c2)CC1 ZINC000424177906 655408009 /nfs/dbraw/zinc/40/80/09/655408009.db2.gz VIWAIENDZJENIO-UHFFFAOYSA-N 1 0 399.681 2.611 20 0 GFADRO O=C(NCCCC[N@H+]1CCC[C@@H]1CO)c1ccc(OC(F)(F)Cl)cc1 ZINC000194780389 655417489 /nfs/dbraw/zinc/41/74/89/655417489.db2.gz YNOMKSIKYIVUOC-CQSZACIVSA-N 1 0 376.831 2.821 20 0 GFADRO O=C(NCC[NH2+]Cc1cc(Br)c(Br)s1)C1CC1 ZINC000227853291 655423030 /nfs/dbraw/zinc/42/30/30/655423030.db2.gz KZCFHQWEAUDIDN-UHFFFAOYSA-N 1 0 382.121 2.889 20 0 GFADRO C[C@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000560655650 655423517 /nfs/dbraw/zinc/42/35/17/655423517.db2.gz WYQIJXPCYUFPSP-YPMHNXCESA-N 1 0 384.307 2.866 20 0 GFADRO C[C@H](CNC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)Oc1ccccc1Br ZINC000566058218 655424398 /nfs/dbraw/zinc/42/43/98/655424398.db2.gz LWOBTNBUIXYFKU-MCIONIFRSA-N 1 0 382.302 2.752 20 0 GFADRO O=C(CC[NH2+][C@@H]1C[C@H]2CCCCN2C1=O)Nc1cccc(Br)c1 ZINC000566063941 655424509 /nfs/dbraw/zinc/42/45/09/655424509.db2.gz RUJYAEKAIBBYJY-HUUCEWRRSA-N 1 0 380.286 2.521 20 0 GFADRO CCOc1cc(C[NH2+][C@@H](C)CN2CCOCC2)cc(Br)c1OC ZINC000236986710 655425381 /nfs/dbraw/zinc/42/53/81/655425381.db2.gz WZJAWACTBGNGPS-ZDUSSCGKSA-N 1 0 387.318 2.667 20 0 GFADRO COc1cc(C[NH2+]C[C@H](O)CC(C)C)cc(I)c1OC ZINC000237153210 655425759 /nfs/dbraw/zinc/42/57/59/655425759.db2.gz BDYGBYNEMOURFX-GFCCVEGCSA-N 1 0 393.265 2.805 20 0 GFADRO COc1cc(C[NH2+]CCNC(=O)c2ccc(C)cc2)cc(Br)c1O ZINC000237173219 655425870 /nfs/dbraw/zinc/42/58/70/655425870.db2.gz PJBQBMBLSATSPN-UHFFFAOYSA-N 1 0 393.281 2.991 20 0 GFADRO CN(C(=O)[C@H]1CCN(c2ccccc2Br)C1=O)C1CCC([NH3+])CC1 ZINC000237228606 655425931 /nfs/dbraw/zinc/42/59/31/655425931.db2.gz WEXRZWLVUZRUTI-JXQTWKCFSA-N 1 0 394.313 2.530 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)[C@H]1CC12CC[NH2+]CC2 ZINC000237558832 655426402 /nfs/dbraw/zinc/42/64/02/655426402.db2.gz UWKIQICBMGULGG-CQSZACIVSA-N 1 0 394.313 2.592 20 0 GFADRO Cc1ccc(-n2nc(Br)cc2C(=O)NC[C@H]2CCCC[NH2+]2)cc1 ZINC000237822218 655426690 /nfs/dbraw/zinc/42/66/90/655426690.db2.gz IJEDEGZBBIZFDP-CYBMUJFWSA-N 1 0 377.286 2.815 20 0 GFADRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)/C=C/c1ccc(I)o1 ZINC000247536899 655431780 /nfs/dbraw/zinc/43/17/80/655431780.db2.gz XSRBVBFHKHESJB-BVKQBWKVSA-N 1 0 388.249 2.696 20 0 GFADRO CCS(=O)(=O)c1ccc(C[NH2+]C[C@@H](O)COc2ccc(Cl)cc2)cc1 ZINC000574868924 655432422 /nfs/dbraw/zinc/43/24/22/655432422.db2.gz DRZYVXZZYLCKHV-MRXNPFEDSA-N 1 0 383.897 2.663 20 0 GFADRO CSCC[C@H]1NC(=S)N([C@H](C[N@H+](C)Cc2ccccc2)C(C)C)C1=O ZINC000248982610 655433553 /nfs/dbraw/zinc/43/35/53/655433553.db2.gz JDVAGXWDJWKBTK-IAGOWNOFSA-N 1 0 379.595 2.981 20 0 GFADRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N[C@@H](C)c1ncc(Br)cn1 ZINC000574953569 655433744 /nfs/dbraw/zinc/43/37/44/655433744.db2.gz RKRUXLIXNMHKQG-RQJABVFESA-N 1 0 398.349 2.966 20 0 GFADRO Cc1cc(S(=O)(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)sc1Br ZINC000250970260 655434986 /nfs/dbraw/zinc/43/49/86/655434986.db2.gz VECPGXUHQGBIMI-MNOVXSKESA-N 1 0 379.345 2.724 20 0 GFADRO CC[NH+](CC)CCS(=O)(=O)NCc1ccc(C)cc1OCC(F)(F)F ZINC000575166615 655436577 /nfs/dbraw/zinc/43/65/77/655436577.db2.gz QUPJPRAWHGAQMK-UHFFFAOYSA-N 1 0 382.448 2.697 20 0 GFADRO CCS(=O)(=O)c1ccc(C[NH2+]C[C@H](O)COc2c(C)cccc2C)s1 ZINC000575797256 655437248 /nfs/dbraw/zinc/43/72/48/655437248.db2.gz RVCFMUHNWKDZHU-HNNXBMFYSA-N 1 0 383.535 2.688 20 0 GFADRO O=C(C[C@H]1Sc2ccc(Cl)cc2NC1=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000575804109 655437490 /nfs/dbraw/zinc/43/74/90/655437490.db2.gz DPIUVHUAAJZNBR-CRAIPNDOSA-N 1 0 379.913 2.745 20 0 GFADRO CC(C)[N@@H+]1CC[C@@H](N(C)Cn2nc3ccc(Br)cn3c2=S)C1 ZINC000840152795 661141296 /nfs/dbraw/zinc/14/12/96/661141296.db2.gz JGYKYNMWRYYHNP-CYBMUJFWSA-N 1 0 384.347 3.000 20 0 GFADRO COc1ccc(CN2CC[NH2+]C[C@@H]2c2ccncc2)c(Br)c1O ZINC000262139596 655444062 /nfs/dbraw/zinc/44/40/62/655444062.db2.gz YZRBFLLIFZMFEK-CQSZACIVSA-N 1 0 378.270 2.705 20 0 GFADRO FC(F)Oc1ccc(Br)cc1CN1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000262134143 655444072 /nfs/dbraw/zinc/44/40/72/655444072.db2.gz ONIUKFSQLCILFR-AWEZNQCLSA-N 1 0 390.272 2.530 20 0 GFADRO C[C@H](Cc1ccc(F)cc1Br)[NH2+]C[C@@H]1CC[C@@H](C(=O)N(C)C)O1 ZINC000576142245 655444277 /nfs/dbraw/zinc/44/42/77/655444277.db2.gz GOUNFKHHSBTWDW-WPGHFRTFSA-N 1 0 387.293 2.745 20 0 GFADRO CC(C)[N@@H+]1CC[C@@H](N(C)Cn2c(=O)oc3cc(Br)c(F)cc32)C1 ZINC000840155500 661141829 /nfs/dbraw/zinc/14/18/29/661141829.db2.gz ZQHIERZEPQPHEO-LLVKDONJSA-N 1 0 386.265 2.868 20 0 GFADRO C[C@@H](CNC(=O)c1csc(-c2ccccc2Cl)n1)N1CC[NH+](C)CC1 ZINC000263889954 655453430 /nfs/dbraw/zinc/45/34/30/655453430.db2.gz ZCVQCXSBCZAISZ-ZDUSSCGKSA-N 1 0 378.929 2.829 20 0 GFADRO CC[N@H+]1C[C@@H](C)N(C(=O)c2ccc(I)c(O)c2)[C@@H](C)C1 ZINC000576957732 655455249 /nfs/dbraw/zinc/45/52/49/655455249.db2.gz RLPYJONWEGDBSZ-PHIMTYICSA-N 1 0 388.249 2.552 20 0 GFADRO CC[NH+]1CCC(CNC(=O)C(=O)Nc2ccc(Br)cc2C)CC1 ZINC000577025392 655456226 /nfs/dbraw/zinc/45/62/26/655456226.db2.gz ADXPQZAENWXDCJ-UHFFFAOYSA-N 1 0 382.302 2.544 20 0 GFADRO Cc1cc(F)c(Br)cc1S(=O)(=O)NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000577063306 655456887 /nfs/dbraw/zinc/45/68/87/655456887.db2.gz FERXYDGICDIANR-QWRGUYRKSA-N 1 0 379.295 2.692 20 0 GFADRO C[C@@H](NC(=O)c1ncc(Br)cc1Br)[C@H]1CCC[NH2+]C1 ZINC000577621516 655463043 /nfs/dbraw/zinc/46/30/43/655463043.db2.gz PWQYMSPJGKXEFE-BDAKNGLRSA-N 1 0 391.107 2.725 20 0 GFADRO COCC[N@@H+]1CC[C@@H](NC(=O)CCCc2ccc(Br)s2)C1 ZINC000264458146 655464221 /nfs/dbraw/zinc/46/42/21/655464221.db2.gz DPJHUADIUBIRNK-GFCCVEGCSA-N 1 0 375.332 2.670 20 0 GFADRO C[C@H]1[NH2+]CC[C@@H]1C(=O)N1CCC(C(=O)Nc2ccccc2Br)CC1 ZINC000577725295 655465803 /nfs/dbraw/zinc/46/58/03/655465803.db2.gz MADZADPLAMBVHS-OCCSQVGLSA-N 1 0 394.313 2.624 20 0 GFADRO COc1ccc([C@H](CCO)[NH2+][C@@H](C)Cn2cc(Br)ccc2=O)cc1 ZINC000577764591 655466696 /nfs/dbraw/zinc/46/66/96/655466696.db2.gz RDRLELHEHDNOAL-GUYCJALGSA-N 1 0 395.297 2.721 20 0 GFADRO C[C@H](C[NH2+]C[C@H](c1ccccc1)N1CCc2sccc2C1)S(C)(=O)=O ZINC000577818765 655467702 /nfs/dbraw/zinc/46/77/02/655467702.db2.gz YQNNJCSQMHWBTJ-CRAIPNDOSA-N 1 0 378.563 2.870 20 0 GFADRO CN(CCCN1CC[NH+](C)CC1)C(=O)/C=C/c1ccc(Br)s1 ZINC000264658723 655468083 /nfs/dbraw/zinc/46/80/83/655468083.db2.gz VACBYMDQRJWIFX-FNORWQNLSA-N 1 0 386.359 2.620 20 0 GFADRO O=C(c1cccc(I)c1)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000577847388 655468384 /nfs/dbraw/zinc/46/83/84/655468384.db2.gz LWFIUWPIUOIBAR-UONOGXRCSA-N 1 0 384.261 2.753 20 0 GFADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)/C=C/c1cc(C(F)(F)F)ccc1Cl ZINC000264767945 655470080 /nfs/dbraw/zinc/47/00/80/655470080.db2.gz PJNYKHMQJCUJMN-ZRFDWSJLSA-N 1 0 375.822 2.734 20 0 GFADRO O=S(=O)(c1ccc(Cl)s1)N1CCC[N@H+](CC2CCOCC2)CC1 ZINC000264809370 655470966 /nfs/dbraw/zinc/47/09/66/655470966.db2.gz JOXXBMAKHKDZQU-UHFFFAOYSA-N 1 0 378.947 2.525 20 0 GFADRO CS(=O)(=O)N[C@H]1CCCC[C@@H]1[NH2+]Cc1cc(F)c(C(F)(F)F)cc1F ZINC000578255295 655475121 /nfs/dbraw/zinc/47/51/21/655475121.db2.gz OZDWWSNDUPSKOI-KBPBESRZSA-N 1 0 386.386 2.934 20 0 GFADRO Cc1ccc(Br)c(S(=O)(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)c1 ZINC000578308762 655476408 /nfs/dbraw/zinc/47/64/08/655476408.db2.gz TXFHRHJPFJZOQM-GOEBONIOSA-N 1 0 395.322 2.791 20 0 GFADRO C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NCC1([NH+](C)C)CCOCC1 ZINC000265048951 655476466 /nfs/dbraw/zinc/47/64/66/655476466.db2.gz SNVMTCOEYHADKK-LBPRGKRZSA-N 1 0 375.296 2.988 20 0 GFADRO CC[C@@H]([NH3+])CNC(=O)c1ccc(OCc2cc(C)no2)c(Br)c1 ZINC000578442481 655479139 /nfs/dbraw/zinc/47/91/39/655479139.db2.gz SBUJSLOPNCFITC-GFCCVEGCSA-N 1 0 382.258 2.792 20 0 GFADRO OC[C@H](C[NH2+]Cc1cn(-c2ccc(Cl)c(Cl)c2)nn1)c1cccnc1 ZINC000578465652 655479576 /nfs/dbraw/zinc/47/95/76/655479576.db2.gz UJRHDEIYYCBBMQ-ZDUSSCGKSA-N 1 0 378.263 2.835 20 0 GFADRO CN(CCC[NH+](C)C)C(=O)[C@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000578574798 655481972 /nfs/dbraw/zinc/48/19/72/655481972.db2.gz KSKQRJZLGRLRJT-GUYCJALGSA-N 1 0 386.323 2.923 20 0 GFADRO CC(C)[N@@H+](C)C[C@H](C)NC(=O)N1CCC(n2cc(Br)cn2)CC1 ZINC000578705906 655485025 /nfs/dbraw/zinc/48/50/25/655485025.db2.gz RVMYLBVMHHKBQO-ZDUSSCGKSA-N 1 0 386.338 2.721 20 0 GFADRO Cc1ccc(C(=O)Nc2nc(C3CC[NH2+]CC3)cs2)cc1S(C)(=O)=O ZINC000578738610 655486059 /nfs/dbraw/zinc/48/60/59/655486059.db2.gz DJLGPROSOUNMSL-UHFFFAOYSA-N 1 0 379.507 2.574 20 0 GFADRO O=C1NC(=O)C2(CCC([NH2+]C3(Cc4ccccc4Br)CC3)CC2)N1 ZINC000578987603 655491086 /nfs/dbraw/zinc/49/10/86/655491086.db2.gz IHXWGKSBGPOIJN-UHFFFAOYSA-N 1 0 392.297 2.635 20 0 GFADRO CCNC(=O)C1(C[NH2+]Cc2ccc(C(=O)OC)cc2Br)CCC1 ZINC000578994014 655491179 /nfs/dbraw/zinc/49/11/79/655491179.db2.gz IBIZVVHVHPFQEU-UHFFFAOYSA-N 1 0 383.286 2.632 20 0 GFADRO CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+]Cc2cc3c(c(Br)c2)OCO3)C1 ZINC000265845821 655491806 /nfs/dbraw/zinc/49/18/06/655491806.db2.gz HETPZUGZUAQNIT-NWDGAFQWSA-N 1 0 390.299 2.623 20 0 GFADRO [NH3+]CCC1CCN(C(=O)c2nn(-c3ccc(F)cc3)cc2Br)CC1 ZINC000579019472 655491950 /nfs/dbraw/zinc/49/19/50/655491950.db2.gz NDBYYDGXEXMOFJ-UHFFFAOYSA-N 1 0 395.276 2.975 20 0 GFADRO OC[C@@H]([NH2+]Cc1cnn(-c2ccc(Br)cc2)c1)[C@H]1CCCOC1 ZINC000579093643 655493745 /nfs/dbraw/zinc/49/37/45/655493745.db2.gz WVVHWVPYQJTYPI-WMLDXEAASA-N 1 0 380.286 2.512 20 0 GFADRO C[NH2+][C@H](C)Cc1noc(-c2cc(I)c(F)cc2F)n1 ZINC000579110134 655494082 /nfs/dbraw/zinc/49/40/82/655494082.db2.gz SVQZDIYBSWYKDF-ZCFIWIBFSA-N 1 0 379.148 2.770 20 0 GFADRO C[C@@H]1C[C@@H](N(C)C(=O)c2cc(F)ccc2I)CC[N@@H+]1C ZINC000265997428 655494752 /nfs/dbraw/zinc/49/47/52/655494752.db2.gz OBOTXKLNJKOXSQ-PWSUYJOCSA-N 1 0 390.240 2.985 20 0 GFADRO CCOC[C@H](O)C[NH2+][C@@H]1CCCN(c2c(C)cc(Br)cc2C)C1=O ZINC000579229395 655496096 /nfs/dbraw/zinc/49/60/96/655496096.db2.gz VZODVEVDFBQMEZ-HZPDHXFCSA-N 1 0 399.329 2.548 20 0 GFADRO CC[NH+]1CCC(NS(=O)(=O)c2cc(Br)cc3cccnc32)CC1 ZINC000579508579 655500652 /nfs/dbraw/zinc/50/06/52/655500652.db2.gz VHCDPDBEFLTXKD-UHFFFAOYSA-N 1 0 398.326 2.760 20 0 GFADRO CC1CC[NH+](C[C@@H](O)CNC(=O)[C@@H]2CCc3cc(Br)ccc32)CC1 ZINC000579596786 655502032 /nfs/dbraw/zinc/50/20/32/655502032.db2.gz LWWHMNFCIYEXPN-FUHWJXTLSA-N 1 0 395.341 2.688 20 0 GFADRO Brc1ccc(Cc2nnnn2Cc2ccc3c(c2)C[NH2+]CC3)cc1 ZINC000579839241 655504674 /nfs/dbraw/zinc/50/46/74/655504674.db2.gz PMVUVPZKOBAIBR-UHFFFAOYSA-N 1 0 384.281 2.720 20 0 GFADRO Cn1ccnc1[C@@H]([NH2+]C[C@H](O)COc1cccc(Br)c1)C1CC1 ZINC000580316559 655510927 /nfs/dbraw/zinc/51/09/27/655510927.db2.gz LRHIDBFNULPNHJ-HOCLYGCPSA-N 1 0 380.286 2.663 20 0 GFADRO COC(=O)CC1([NH2+]CCSc2cccc(Cl)c2)CCS(=O)(=O)CC1 ZINC000595460867 655512588 /nfs/dbraw/zinc/51/25/88/655512588.db2.gz RLQIOMSHRLQOJT-UHFFFAOYSA-N 1 0 391.942 2.532 20 0 GFADRO CC[NH+](CC)CCN(Cc1ccc(Cl)cc1)C(=O)N[C@H](C)C[S@](C)=O ZINC000596554670 655516696 /nfs/dbraw/zinc/51/66/96/655516696.db2.gz GITOZELGVVWQJD-BZQUYTCOSA-N 1 0 387.977 2.960 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)c2cccc(I)c2)C[C@@H]1C(F)(F)F ZINC000720815158 655524610 /nfs/dbraw/zinc/52/46/10/655524610.db2.gz HRVWJORGBAREED-KOLCDFICSA-N 1 0 398.166 2.500 20 0 GFADRO C[N@@H+]1CCC[C@H]2[C@H]1CCN2C(=O)c1csc(I)c1 ZINC000720814080 655524623 /nfs/dbraw/zinc/52/46/23/655524623.db2.gz BASIBTFRDBLKAB-MNOVXSKESA-N 1 0 376.263 2.661 20 0 GFADRO CN(Cc1cc(Cl)ccc1I)C1(C[NH3+])CCOCC1 ZINC000725053742 655525824 /nfs/dbraw/zinc/52/58/24/655525824.db2.gz ALWHAEUXZLCWJN-UHFFFAOYSA-N 1 0 394.684 2.884 20 0 GFADRO O=S(=O)(NCC[NH2+]Cc1cnc2ccccc2c1)c1cccc(Cl)c1 ZINC000727469207 655546164 /nfs/dbraw/zinc/54/61/64/655546164.db2.gz YERMFXZLCJUNDL-UHFFFAOYSA-N 1 0 375.881 2.956 20 0 GFADRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=S)NCCc2cccs2)CC1 ZINC000727702128 655548889 /nfs/dbraw/zinc/54/88/89/655548889.db2.gz QOVUNZXOPXIECR-IAGOWNOFSA-N 1 0 380.627 2.656 20 0 GFADRO CC(C)[N@@H+]1CCCN(C(=O)c2cn(-c3ccccc3Br)nn2)CC1 ZINC000727806819 655549490 /nfs/dbraw/zinc/54/94/90/655549490.db2.gz FSZUATFXWACSBH-UHFFFAOYSA-N 1 0 392.301 2.586 20 0 GFADRO CC/C=C(\C)C(=O)N1CSC[C@@H]1C(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000728021658 655551679 /nfs/dbraw/zinc/55/16/79/655551679.db2.gz IZJFCZVTRKUISS-SKRDGDKOSA-N 1 0 381.567 2.725 20 0 GFADRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)CSc1nc2ccccc2s1 ZINC000729431394 655564659 /nfs/dbraw/zinc/56/46/59/655564659.db2.gz HOPHXDCOIYAIHA-CQSZACIVSA-N 1 0 379.551 2.958 20 0 GFADRO O[C@H](COc1ccc(Cl)c(Cl)c1)C[N@@H+]1CCCC[C@H]1C1OCCO1 ZINC000729543662 655565678 /nfs/dbraw/zinc/56/56/78/655565678.db2.gz LYTJLFCCZIOEIZ-LRDDRELGSA-N 1 0 376.280 2.961 20 0 GFADRO CCN(Cc1cccc(Br)c1)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000729504819 655565791 /nfs/dbraw/zinc/56/57/91/655565791.db2.gz LAOCQSCTJZGFQX-SJORKVTESA-N 1 0 396.329 2.844 20 0 GFADRO C[C@H](CC[NH+](C)C)NC(=O)NC[C@@](O)(c1ccc(Cl)cc1)C(F)(F)F ZINC000729606004 655566143 /nfs/dbraw/zinc/56/61/43/655566143.db2.gz FNXZCEPBGXLPPS-IAQYHMDHSA-N 1 0 381.826 2.729 20 0 GFADRO C[C@H](CC[NH+](C)C)NC(=O)NC[C@](O)(c1ccc(Cl)cc1)C(F)(F)F ZINC000729606003 655566146 /nfs/dbraw/zinc/56/61/46/655566146.db2.gz FNXZCEPBGXLPPS-ABAIWWIYSA-N 1 0 381.826 2.729 20 0 GFADRO CN(C[C@H](O)c1cccc(Br)c1)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000840303537 661152862 /nfs/dbraw/zinc/15/28/62/661152862.db2.gz WKQBQFUYEZJCSH-IRXDYDNUSA-N 1 0 396.329 2.608 20 0 GFADRO COC1CC[NH+](C2(CNC(=O)Cc3sc(=S)[nH]c3C)CCCC2)CC1 ZINC000730791171 655577882 /nfs/dbraw/zinc/57/78/82/655577882.db2.gz SPWZZCNIOYMXHH-UHFFFAOYSA-N 1 0 383.583 2.823 20 0 GFADRO CC(C)c1n[nH]c(C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)c1Br ZINC000731687780 655585836 /nfs/dbraw/zinc/58/58/36/655585836.db2.gz RBYGMLJWLXQUMM-ZDUSSCGKSA-N 1 0 399.333 2.669 20 0 GFADRO CN([C@@H]1CC[N@@H+](C2CC2)C1)S(=O)(=O)/C=C\c1cccc(Br)c1 ZINC000732227097 655593677 /nfs/dbraw/zinc/59/36/77/655593677.db2.gz VYAKLWHXDUPNSS-SIJIIQCFSA-N 1 0 385.327 2.918 20 0 GFADRO O=C([C@H]1CCC[N@@H+](C[C@H](O)c2cccc(Br)c2)C1)N1CCCC1 ZINC000732412315 655596232 /nfs/dbraw/zinc/59/62/32/655596232.db2.gz HYOFYOPRGLFPKA-RDJZCZTQSA-N 1 0 381.314 2.817 20 0 GFADRO C[N@H+](CCC(=O)Nc1cccc(Cl)c1)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000732812510 655602588 /nfs/dbraw/zinc/60/25/88/655602588.db2.gz FBIMVNRLJXFLII-ZDUSSCGKSA-N 1 0 377.794 2.764 20 0 GFADRO O=c1ccn(C[NH+]2CCN(C3CCC3)CC2)c2c(Br)cccc12 ZINC000733297223 655611426 /nfs/dbraw/zinc/61/14/26/655611426.db2.gz IYBXSRXHIYOYCA-UHFFFAOYSA-N 1 0 376.298 2.892 20 0 GFADRO COC[C@@H](C)NC(=S)N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000733903949 655623219 /nfs/dbraw/zinc/62/32/19/655623219.db2.gz IGYCFVWHVYWIMH-IUODEOHRSA-N 1 0 375.460 2.779 20 0 GFADRO O=S(=O)(NC1CC[NH+](C[C@H]2CCCO2)CC1)c1cc(Cl)cc(Cl)c1 ZINC000734243193 655628413 /nfs/dbraw/zinc/62/84/13/655628413.db2.gz FIVSHJONUROZNR-OAHLLOKOSA-N 1 0 393.336 2.915 20 0 GFADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]CCc1ccc(C)cc1 ZINC000734847547 655635363 /nfs/dbraw/zinc/63/53/63/655635363.db2.gz NUUILZBYRFGTKZ-MRXNPFEDSA-N 1 0 381.929 2.845 20 0 GFADRO Cc1cc(S(=O)(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)cnc1Cl ZINC000735315450 655644729 /nfs/dbraw/zinc/64/47/29/655644729.db2.gz OLMSIAXMXKLTJO-MRXNPFEDSA-N 1 0 379.913 2.986 20 0 GFADRO C[NH+](C)CCN1CCN(C(=S)Nc2ccc(OC(F)F)c(Cl)c2)CC1 ZINC000735621700 655650020 /nfs/dbraw/zinc/65/00/20/655650020.db2.gz RMMWNIVGWCQWOZ-UHFFFAOYSA-N 1 0 392.903 2.817 20 0 GFADRO O[C@@H](CNC(=S)NC1CC[NH+](Cc2ccccc2)CC1)c1ccsc1 ZINC000739437813 655693407 /nfs/dbraw/zinc/69/34/07/655693407.db2.gz RZNIFUWPTWRXFQ-SFHVURJKSA-N 1 0 375.563 2.910 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)C(=O)CN2C(=S)N=NC2c2cccs2)C[C@@H]1C ZINC000740841488 655699735 /nfs/dbraw/zinc/69/97/35/655699735.db2.gz RNUDVZKOWODDHD-STQMWFEESA-N 1 0 379.555 2.627 20 0 GFADRO CC1(C)[C@@H]2C[N@@H+](CN3C(=O)N[C@@](C)(c4ccc(Br)cc4)C3=O)C[C@@H]21 ZINC000742165718 655710715 /nfs/dbraw/zinc/71/07/15/655710715.db2.gz ZLRUBHDJGUIPAG-IYOUNJFTSA-N 1 0 392.297 2.761 20 0 GFADRO C[C@H]1CCC[N@@H+]1CCNC(=O)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000743979516 655733503 /nfs/dbraw/zinc/73/35/03/655733503.db2.gz UHRBHHIHDDGCNH-JTQLQIEISA-N 1 0 377.794 2.898 20 0 GFADRO C[C@H](CNC(=O)OC(C)(C)C)[NH2+][C@@H](C)Cn1cc(Br)ccc1=O ZINC000840744998 661182254 /nfs/dbraw/zinc/18/22/54/661182254.db2.gz BWWULWIZDIZIPA-NEPJUHHUSA-N 1 0 388.306 2.502 20 0 GFADRO C[NH+](C)[C@@]1(CNC(=O)NC[C@H](O)c2c(Cl)cccc2Cl)CCSC1 ZINC000748645475 655793225 /nfs/dbraw/zinc/79/32/25/655793225.db2.gz AJIDMGVFCFNXTM-XJKSGUPXSA-N 1 0 392.352 2.763 20 0 GFADRO COCC[N@@H+]1CC[C@H](NC(=S)N[C@@H](C)c2ccc(Br)cc2)C1 ZINC000840724816 661178909 /nfs/dbraw/zinc/17/89/09/661178909.db2.gz BRQBFRWHPAHFFH-WFASDCNBSA-N 1 0 386.359 2.695 20 0 GFADRO CC(C)CNC(=O)C1CC[NH+](C[C@H](O)c2ccccc2Br)CC1 ZINC000751959040 655836764 /nfs/dbraw/zinc/83/67/64/655836764.db2.gz ZASXHDLQPGPIMP-KRWDZBQOSA-N 1 0 383.330 2.967 20 0 GFADRO Cc1cc(C[NH2+]CCNS(=O)(=O)c2ccc(Cl)s2)cnc1Cl ZINC000752105990 655839644 /nfs/dbraw/zinc/83/96/44/655839644.db2.gz ZAMACEDFMFTLKN-UHFFFAOYSA-N 1 0 380.322 2.826 20 0 GFADRO COCCC[N@H+](C)CCNC(=O)N[C@H](C)[C@H](O)c1c(Cl)cccc1Cl ZINC000752993790 655849031 /nfs/dbraw/zinc/84/90/31/655849031.db2.gz CZLDLXMFEPFLNC-WBMJQRKESA-N 1 0 392.327 2.683 20 0 GFADRO C[C@H]([N@H+](C)CN1C(=O)C(=O)N(c2ccc(Br)cc2)C1=O)C1(C)CC1 ZINC000753113110 655850688 /nfs/dbraw/zinc/85/06/88/655850688.db2.gz WOGSKYFOAAJYTD-NSHDSACASA-N 1 0 394.269 2.822 20 0 GFADRO Cc1cc2ncn(C[C@H](O)C[NH2+]Cc3ccc(Br)cn3)c2cc1C ZINC000754342231 655866632 /nfs/dbraw/zinc/86/66/32/655866632.db2.gz QGHNNXGSUXLSRK-MRXNPFEDSA-N 1 0 389.297 2.961 20 0 GFADRO Cc1cc(Br)ncc1NC(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000754456455 655867970 /nfs/dbraw/zinc/86/79/70/655867970.db2.gz GJJPSFWBUPZNTP-UHFFFAOYSA-N 1 0 376.258 2.902 20 0 GFADRO Cc1cc(Br)ncc1NC(=O)NCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000754456135 655868011 /nfs/dbraw/zinc/86/80/11/655868011.db2.gz OGOYWNVVWHSPRM-STQMWFEESA-N 1 0 385.306 2.773 20 0 GFADRO CCN(CC(=O)NCc1cccs1)C(=O)C[NH2+][C@@H](C)c1ccc(C)s1 ZINC000754672084 655871099 /nfs/dbraw/zinc/87/10/99/655871099.db2.gz TYJVNMDYFFKCTL-AWEZNQCLSA-N 1 0 379.551 2.934 20 0 GFADRO Cc1ccc(-n2nc(Br)cc2C(=O)N[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000755336663 655882474 /nfs/dbraw/zinc/88/24/74/655882474.db2.gz YQYGZOUPOSESTG-CYBMUJFWSA-N 1 0 377.286 2.767 20 0 GFADRO C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)Nc1cc2c(cc1Br)OCCO2 ZINC000755446512 655883583 /nfs/dbraw/zinc/88/35/83/655883583.db2.gz OXSIPGCIKWDIDQ-WDEREUQCSA-N 1 0 384.274 2.777 20 0 GFADRO CC(C)[C@@H]1CC[N@H+](CN2C(=O)C(=O)N(c3ccc(Br)cc3)C2=O)C1 ZINC000755920672 655891314 /nfs/dbraw/zinc/89/13/14/655891314.db2.gz CMTSQOVPPBLCRP-GFCCVEGCSA-N 1 0 394.269 2.680 20 0 GFADRO CCOC(=O)/C=C\C[N@@H+]1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000756091261 655894513 /nfs/dbraw/zinc/89/45/13/655894513.db2.gz FINLFXUTNBYNSL-AGLBCWCQSA-N 1 0 396.285 2.614 20 0 GFADRO CC(C)(C)SCC[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000840894540 661201466 /nfs/dbraw/zinc/20/14/66/661201466.db2.gz WDCUXXQHSQNGKR-UHFFFAOYSA-N 1 0 381.361 2.718 20 0 GFADRO CC(C)c1ncc(C[NH2+]CC2CCN(S(=O)(=O)C(F)(F)F)CC2)s1 ZINC000758481972 655933999 /nfs/dbraw/zinc/93/39/99/655933999.db2.gz IXLFWAMBAFUQCL-UHFFFAOYSA-N 1 0 385.477 2.918 20 0 GFADRO CCC[N@H+](CCCS(=O)(=O)C(C)C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000758715336 655939534 /nfs/dbraw/zinc/93/95/34/655939534.db2.gz UUFWKOQNHSTFRW-MRXNPFEDSA-N 1 0 376.563 2.921 20 0 GFADRO O=c1c(Br)nn(C[N@@H+]2CCOCC3(CCC3)C2)c2ccccc12 ZINC000758974585 655944322 /nfs/dbraw/zinc/94/43/22/655944322.db2.gz UPKZEEIAHQWKOV-UHFFFAOYSA-N 1 0 378.270 2.619 20 0 GFADRO CC[C@@H]([NH2+]C[C@H](O)c1ccc(Cl)c(F)c1)c1cccc(S(N)(=O)=O)c1 ZINC000759864185 655965417 /nfs/dbraw/zinc/96/54/17/655965417.db2.gz FADUGTKBXPDVHG-SJORKVTESA-N 1 0 386.876 2.901 20 0 GFADRO CC[N@@H+]1CC[C@H](CNC(=O)c2cnn(-c3ccccc3)c2Br)C1 ZINC000760180653 655971291 /nfs/dbraw/zinc/97/12/91/655971291.db2.gz HKTJZJLCXJLJEX-CYBMUJFWSA-N 1 0 377.286 2.706 20 0 GFADRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2cnn(C)c2Br)C1 ZINC000760198059 655972291 /nfs/dbraw/zinc/97/22/91/655972291.db2.gz QQBILHHLNXLILW-TZMCWYRMSA-N 1 0 377.286 2.748 20 0 GFADRO C[NH+]1CCC(CNC(=S)NCCOc2ccc(Br)cc2)CC1 ZINC000760475919 655982179 /nfs/dbraw/zinc/98/21/79/655982179.db2.gz GGBMXWNZWMUDCR-UHFFFAOYSA-N 1 0 386.359 2.634 20 0 GFADRO CC(C)[C@@H](CC[N@H+](C)CC[C@@H]1CCS(=O)(=O)C1)NC(=O)OC(C)(C)C ZINC000760844476 655993008 /nfs/dbraw/zinc/99/30/08/655993008.db2.gz POFFQJQQBDFPNV-HZPDHXFCSA-N 1 0 376.563 2.682 20 0 GFADRO COC(=O)[C@](C)(NC(=O)C[NH+]1CCC(C)CC1)c1cccc(Br)c1 ZINC000762211499 656036104 /nfs/dbraw/zinc/03/61/04/656036104.db2.gz VVUCDFITQUMPKH-GOSISDBHSA-N 1 0 397.313 2.685 20 0 GFADRO Fc1cc2ncnc(NC[C@H]3C[N@@H+]4CCC[C@@H]4CO3)c2cc1Br ZINC000762793620 656058897 /nfs/dbraw/zinc/05/88/97/656058897.db2.gz ITWIWYJQVUSVSY-MNOVXSKESA-N 1 0 381.249 2.807 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)N[C@@H]1CC[C@H]2SCCS[C@@H]12)Cc1ccccc1 ZINC000762988195 656067722 /nfs/dbraw/zinc/06/77/22/656067722.db2.gz MHHBRVBSBPXZNS-MLHJIOFPSA-N 1 0 379.595 2.838 20 0 GFADRO CCOc1c(Br)cc(C[NH2+]CCS(=O)(=O)C2CC2)cc1OC ZINC000840964843 661221253 /nfs/dbraw/zinc/22/12/53/661221253.db2.gz SXFQVOQYCOJRGG-UHFFFAOYSA-N 1 0 392.315 2.523 20 0 GFADRO CCOc1cc(Br)ccc1NC(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000764241068 656105742 /nfs/dbraw/zinc/10/57/42/656105742.db2.gz DDQACIGBYLYIKB-UONOGXRCSA-N 1 0 398.301 2.833 20 0 GFADRO C[NH2+]CCC1CCN(C(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)CC1 ZINC000841014037 661227228 /nfs/dbraw/zinc/22/72/28/661227228.db2.gz UDDCUIVZWHPDNT-UHFFFAOYSA-N 1 0 375.441 2.536 20 0 GFADRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)[C@H](O)c2cc(Cl)cc(Cl)c2)C1 ZINC000765133692 656133185 /nfs/dbraw/zinc/13/31/85/656133185.db2.gz UYGJRRCDWJNXQR-DLBZAZTESA-N 1 0 389.323 2.986 20 0 GFADRO [NH3+]CC[C@H](NC(=O)Nc1ccc(N2CCSCC2)c(Cl)c1)C(F)F ZINC000841092935 661232502 /nfs/dbraw/zinc/23/25/02/661232502.db2.gz MSFMEDMCJRDBDL-LBPRGKRZSA-N 1 0 378.876 2.997 20 0 GFADRO C[C@H](NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccccc1I ZINC000765795941 656152427 /nfs/dbraw/zinc/15/24/27/656152427.db2.gz GKLGMYOBAMCLRY-IHRRRGAJSA-N 1 0 386.277 2.805 20 0 GFADRO Cc1n[nH]c(C(=O)N[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)c1Br ZINC000765806679 656152647 /nfs/dbraw/zinc/15/26/47/656152647.db2.gz DAXPCZOWAANTIA-RISCZKNCSA-N 1 0 377.286 2.731 20 0 GFADRO C[C@@H]([NH2+]C[C@@H](C)C(C)(C)C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000766008223 656157774 /nfs/dbraw/zinc/15/77/74/656157774.db2.gz QXLTUXIROQNZJX-ZIAGYGMSSA-N 1 0 390.571 2.745 20 0 GFADRO CCC[C@@H]1CN(C(=O)N[C@@H]2CC[C@H]3SCCS[C@@H]23)CC[N@@H+]1CCOC ZINC000766824252 656184873 /nfs/dbraw/zinc/18/48/73/656184873.db2.gz JFWSIZWOVKUIMB-VQHPVUNQSA-N 1 0 387.615 2.508 20 0 GFADRO CN(C(=O)c1cc(=O)c2cc(Br)ccc2o1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000841116382 661234643 /nfs/dbraw/zinc/23/46/43/661234643.db2.gz YCTXGNJKWPHOHW-CYBMUJFWSA-N 1 0 391.265 2.864 20 0 GFADRO CC1(C)[NH2+]CC[C@H]1NC(=O)Nc1cnc(Br)c(Br)c1 ZINC000841141772 661237152 /nfs/dbraw/zinc/23/71/52/661237152.db2.gz KMCZDKICILZKKP-SECBINFHSA-N 1 0 392.095 2.869 20 0 GFADRO COc1cc(S(=O)(=O)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)cnc1Cl ZINC000767721810 656216673 /nfs/dbraw/zinc/21/66/73/656216673.db2.gz IGPSHJPYICWMAS-LBPRGKRZSA-N 1 0 375.922 2.532 20 0 GFADRO Cc1ccc(F)c(Br)c1NC(=O)C(=O)N(C)C1CCC([NH3+])CC1 ZINC000841189231 661242788 /nfs/dbraw/zinc/24/27/88/661242788.db2.gz RKCWJKCBALHLGH-UHFFFAOYSA-N 1 0 386.265 2.563 20 0 GFADRO C[C@H](C[NH3+])CNC(=O)C(=O)Nc1ccccc1SC[C@@H]1CC1(Cl)Cl ZINC000841196432 661243517 /nfs/dbraw/zinc/24/35/17/661243517.db2.gz JJNVUEAOHRFNED-MNOVXSKESA-N 1 0 390.336 2.622 20 0 GFADRO C[C@H]1CCC[N@H+](CCCCNC(=O)c2nccn3c(Br)cnc23)C1 ZINC000769700916 656286222 /nfs/dbraw/zinc/28/62/22/656286222.db2.gz FFDSECUYLYNKQC-ZDUSSCGKSA-N 1 0 394.317 2.734 20 0 GFADRO C[NH+](C)CCN(C(=O)c1nccn2c(Br)cnc12)c1ccccc1 ZINC000769742698 656288855 /nfs/dbraw/zinc/28/88/55/656288855.db2.gz SYQGEZLWESOLKY-UHFFFAOYSA-N 1 0 388.269 2.700 20 0 GFADRO O[C@H](C[NH2+][C@@H]1CCCC[C@H]1N1CCOCC1)c1ccccc1Br ZINC000769799228 656292101 /nfs/dbraw/zinc/29/21/01/656292101.db2.gz FCRUFCWTMUIPJF-KZNAEPCWSA-N 1 0 383.330 2.716 20 0 GFADRO O[C@H](C[NH2+][C@H]1CCCC[C@@H]1N1CCOCC1)c1cccc(Br)c1 ZINC000769801782 656292377 /nfs/dbraw/zinc/29/23/77/656292377.db2.gz QXNJQDFNZGDXIT-OKZBNKHCSA-N 1 0 383.330 2.716 20 0 GFADRO CC(C)[NH+](CCCNC(=O)c1nccn2c(Br)cnc12)C(C)C ZINC000769938519 656301665 /nfs/dbraw/zinc/30/16/65/656301665.db2.gz SGBURADAENPQFG-UHFFFAOYSA-N 1 0 382.306 2.731 20 0 GFADRO Cc1ccc(/C=C/C(=O)N[C@H](C)CC[NH+]2CCN(C)CC2)c(Br)c1 ZINC000770173106 656310261 /nfs/dbraw/zinc/31/02/61/656310261.db2.gz LBFFHPNHWVLGEJ-FYCOFBDGSA-N 1 0 394.357 2.913 20 0 GFADRO O=C(OCC[NH+]1CCCCC1)c1ccc(Br)cc1-n1cncn1 ZINC000770412662 656318798 /nfs/dbraw/zinc/31/87/98/656318798.db2.gz QELWJJHCRNRRST-UHFFFAOYSA-N 1 0 379.258 2.673 20 0 GFADRO COC(=O)C[C@]1([NH2+]Cc2cc(Br)c(OC)s2)CCCOC1 ZINC000770675789 656326763 /nfs/dbraw/zinc/32/67/63/656326763.db2.gz FZSRSQONCDFUSD-CQSZACIVSA-N 1 0 378.288 2.721 20 0 GFADRO CC(C)[C@H]([NH3+])CNC(=O)C(=O)Nc1ccc2cc(Br)ccc2c1 ZINC000841182644 661242331 /nfs/dbraw/zinc/24/23/31/661242331.db2.gz ODZOAYOQNBCZPM-OAHLLOKOSA-N 1 0 378.270 2.640 20 0 GFADRO O=C(NC[C@H](O)c1cccc(Br)c1)Nc1cccc2c1CC[NH2+]C2 ZINC000841308811 661251748 /nfs/dbraw/zinc/25/17/48/661251748.db2.gz RCHNYADRVPMTAC-KRWDZBQOSA-N 1 0 390.281 2.950 20 0 GFADRO Nc1nc(-n2cccn2)cc(NCCc2ccc(Br)cc2F)[nH+]1 ZINC000771659810 656359290 /nfs/dbraw/zinc/35/92/90/656359290.db2.gz JPSMWZVVGDYZPC-UHFFFAOYSA-N 1 0 377.221 2.801 20 0 GFADRO CC[NH+](CC)CCOC(=O)[C@@H](C)NC(=O)c1ccc(Br)s1 ZINC000772038786 656370716 /nfs/dbraw/zinc/37/07/16/656370716.db2.gz VEKXLXFHZMJXTD-SNVBAGLBSA-N 1 0 377.304 2.514 20 0 GFADRO C[NH+](C)[C@@]1(CNC(=O)C[C@@H](O)c2cc(Cl)cc(Cl)c2)CCSC1 ZINC000772745755 656388000 /nfs/dbraw/zinc/38/80/00/656388000.db2.gz LHPPVHWSLUWAAQ-GDBMZVCRSA-N 1 0 377.337 2.970 20 0 GFADRO C[C@H](CNC(=O)c1cc(=O)c2cc(Br)ccc2o1)[N@H+](C)C1CC1 ZINC000841388546 661257935 /nfs/dbraw/zinc/25/79/35/661257935.db2.gz HNZLNXDTQRSKLQ-SNVBAGLBSA-N 1 0 379.254 2.768 20 0 GFADRO CC(C)[C@@H](CCc1ccc(Cl)cc1)[NH2+]CCS(=O)(=O)N1CCOCC1 ZINC000772945553 656394958 /nfs/dbraw/zinc/39/49/58/656394958.db2.gz HGQADMLVXWUDQM-GOSISDBHSA-N 1 0 388.961 2.549 20 0 GFADRO C[C@@H]([NH2+][C@@H]1CCC(C)(C)C1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000773145823 656401204 /nfs/dbraw/zinc/40/12/04/656401204.db2.gz NADVJWMPFIFKSF-UKRRQHHQSA-N 1 0 388.555 2.642 20 0 GFADRO O=c1oc2cc(Br)c(F)cc2n1CN1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000773304251 656409488 /nfs/dbraw/zinc/40/94/88/656409488.db2.gz ZKACQLMYWIJPIV-LBPRGKRZSA-N 1 0 398.276 2.871 20 0 GFADRO COc1cc(NC(=O)Cc2sc(=S)[nH]c2C)ccc1OCC[NH+](C)C ZINC000841466423 661268009 /nfs/dbraw/zinc/26/80/09/661268009.db2.gz YYIBAILKNAWTNL-UHFFFAOYSA-N 1 0 381.523 2.870 20 0 GFADRO Cc1cc(Br)ncc1NC(=O)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000774063671 656487167 /nfs/dbraw/zinc/48/71/67/656487167.db2.gz WGMULTVRWYVLMN-UHFFFAOYSA-N 1 0 397.317 2.516 20 0 GFADRO COc1cc(F)c(Br)cc1NC(=S)NC1CC[NH+](C)CC1 ZINC000841481309 661270937 /nfs/dbraw/zinc/27/09/37/661270937.db2.gz AKEBROZFIWYWAO-UHFFFAOYSA-N 1 0 376.295 2.977 20 0 GFADRO C[C@H](Cc1cnccn1)[NH2+][C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000775498180 656644409 /nfs/dbraw/zinc/64/44/09/656644409.db2.gz YBKPCDWQPRQEKT-IAQYHMDHSA-N 1 0 396.310 2.678 20 0 GFADRO O=C(NCCC[NH2+]C1CCC2(CC1)OCCO2)c1ccc(Br)cc1 ZINC000775500844 656644432 /nfs/dbraw/zinc/64/44/32/656644432.db2.gz LNKAKIOZTOFAFF-UHFFFAOYSA-N 1 0 397.313 2.844 20 0 GFADRO C[C@@H]1CCCN1CC[NH2+][C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000775507990 656645419 /nfs/dbraw/zinc/64/54/19/656645419.db2.gz GMBZCUKJQKECMP-IUODEOHRSA-N 1 0 387.343 2.742 20 0 GFADRO OCCCC[NH+]1CCN(Cc2ccc(OC(F)F)c(Br)c2)CC1 ZINC000775689205 656665459 /nfs/dbraw/zinc/66/54/59/656665459.db2.gz ASCXFUIRIUQZON-UHFFFAOYSA-N 1 0 393.272 2.941 20 0 GFADRO COC(=O)N1CCC[C@H]([C@H](C)[NH2+]CC(=O)Nc2ccc(Br)cc2)C1 ZINC000775817402 656683296 /nfs/dbraw/zinc/68/32/96/656683296.db2.gz YNZAFHKYAOPXIA-STQMWFEESA-N 1 0 398.301 2.844 20 0 GFADRO CC[C@H](Cc1ccccc1Br)[N@H+](C)CC(=O)N1CCO[C@@H](C)C1 ZINC000775838906 656685196 /nfs/dbraw/zinc/68/51/96/656685196.db2.gz SFWVWCOLVDHIQO-GOEBONIOSA-N 1 0 383.330 2.949 20 0 GFADRO CCN1CC[NH+](CCCCNC(=O)Nc2cc(Br)ncc2C)CC1 ZINC000776035435 656702731 /nfs/dbraw/zinc/70/27/31/656702731.db2.gz CLHBQVKOKAPRLV-UHFFFAOYSA-N 1 0 398.349 2.692 20 0 GFADRO C[NH+](C)CCN(Cc1ccccn1)S(=O)(=O)c1c(Cl)ccnc1Cl ZINC000777993473 656850149 /nfs/dbraw/zinc/85/01/49/656850149.db2.gz XIKMOBUWDPMAKA-UHFFFAOYSA-N 1 0 389.308 2.536 20 0 GFADRO C[C@@H]([NH2+]C[C@@](O)(c1ccc(Cl)cc1)C(F)(F)F)C1CCS(=O)(=O)CC1 ZINC000779045032 656897992 /nfs/dbraw/zinc/89/79/92/656897992.db2.gz GOGQTQWWVQQXDZ-IAQYHMDHSA-N 1 0 399.862 2.893 20 0 GFADRO O=C(C[NH2+]C[C@@H]1CC1(Cl)Cl)N1CCN(c2cccc(Cl)c2)CC1 ZINC000779340605 656920833 /nfs/dbraw/zinc/92/08/33/656920833.db2.gz IYDSEBWCBSULFB-LBPRGKRZSA-N 1 0 376.715 2.772 20 0 GFADRO C[NH+](C)CCCNC(=S)N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000782206109 657115505 /nfs/dbraw/zinc/11/55/05/657115505.db2.gz VFMQZTKISXLVDH-HNNXBMFYSA-N 1 0 375.460 2.905 20 0 GFADRO C[C@@H]1CCC[N@@H+]1CCNC(=O)c1ccnc(Cl)c1I ZINC000783918667 657274184 /nfs/dbraw/zinc/27/41/84/657274184.db2.gz JBZUJUKQGGYXFO-SECBINFHSA-N 1 0 393.656 2.554 20 0 GFADRO Cc1ccc([C@@H](O)C[NH2+]C[C@H](O)COc2cc(F)cc(Br)c2)cc1 ZINC000783962626 657277929 /nfs/dbraw/zinc/27/79/29/657277929.db2.gz YDALAXSJUKFURF-WMZOPIPTSA-N 1 0 398.272 2.960 20 0 GFADRO Cn1nc(Br)cc1C[NH2+][C@@H](Cc1ccccc1)[C@@H](O)C(F)(F)F ZINC000785471541 657366664 /nfs/dbraw/zinc/36/66/64/657366664.db2.gz VNDLVBZARYEWTK-GXTWGEPZSA-N 1 0 392.219 2.807 20 0 GFADRO Cn1nc(Br)cc1C[NH2+][C@@H]1CCN(C(=O)CCc2ccccc2)C1 ZINC000785486060 657368378 /nfs/dbraw/zinc/36/83/78/657368378.db2.gz RFRDAGGSJHVOIH-OAHLLOKOSA-N 1 0 391.313 2.506 20 0 GFADRO Cn1nc(Br)cc1C[NH2+]CC1(CN2CCOCC2)CCCCC1 ZINC000785487013 657368446 /nfs/dbraw/zinc/36/84/46/657368446.db2.gz SUHVOEFCVHUKSJ-UHFFFAOYSA-N 1 0 385.350 2.555 20 0 GFADRO Cn1nc(Br)cc1C[NH2+][C@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)cc1 ZINC000785508308 657370253 /nfs/dbraw/zinc/37/02/53/657370253.db2.gz PVRPKZSGNAYAEO-BBRMVZONSA-N 1 0 397.704 2.898 20 0 GFADRO Cn1nc(Br)cc1C[NH2+][C@@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1 ZINC000785509080 657370471 /nfs/dbraw/zinc/37/04/71/657370471.db2.gz LPTPRZSWVNOOEM-ZBFHGGJFSA-N 1 0 385.256 2.996 20 0 GFADRO Cc1ccc(NCc2cc(Br)nn2C)cc1NC(=O)CC[NH+](C)C ZINC000785513269 657371093 /nfs/dbraw/zinc/37/10/93/657371093.db2.gz JDCIGBSHKVCFGK-UHFFFAOYSA-N 1 0 394.317 2.993 20 0 GFADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNS(=O)(=O)c2cnc(Cl)c(F)c2)C1 ZINC000787920937 657622729 /nfs/dbraw/zinc/62/27/29/657622729.db2.gz ZXYZCQUYQZKAES-BETUJISGSA-N 1 0 377.913 2.911 20 0 GFADRO COc1cc(C(=O)NC[C@H](c2cccs2)[NH+](C)C)cnc1Br ZINC000788131012 657655466 /nfs/dbraw/zinc/65/54/66/657655466.db2.gz QFLFZZXYBJRUKF-LLVKDONJSA-N 1 0 384.299 2.947 20 0 GFADRO O=C(NCC1CC[NH+](Cc2cccs2)CC1)c1cc(Br)n[nH]1 ZINC000788292900 657692319 /nfs/dbraw/zinc/69/23/19/657692319.db2.gz JOXQUGJOXGCFQV-UHFFFAOYSA-N 1 0 383.315 2.876 20 0 GFADRO CCN(CCC[NH+](CC)CC)C(=O)CN1C(=S)N=NC1c1cccs1 ZINC000788537119 657740378 /nfs/dbraw/zinc/74/03/78/657740378.db2.gz RFVZOMUPGXRMPZ-UHFFFAOYSA-N 1 0 381.571 2.876 20 0 GFADRO Cc1c(Br)ccc(NC(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)c1F ZINC000788745977 657781717 /nfs/dbraw/zinc/78/17/17/657781717.db2.gz NZTUXWHVMJGJLN-NWDGAFQWSA-N 1 0 386.265 2.881 20 0 GFADRO C[NH+](C)[C@H](CNS(=O)(=O)c1c(Cl)nc2sccn21)C1CCCCC1 ZINC000788882937 657793143 /nfs/dbraw/zinc/79/31/43/657793143.db2.gz ZUWCMYCEXFZGSW-GFCCVEGCSA-N 1 0 390.962 2.838 20 0 GFADRO C[N@H+](C[C@H](O)c1ccccc1Br)C1CCN(c2cnccn2)CC1 ZINC000789367769 657842641 /nfs/dbraw/zinc/84/26/41/657842641.db2.gz WTMDOUISTLCOGB-KRWDZBQOSA-N 1 0 391.313 2.873 20 0 GFADRO O=c1c(Br)nn(C[N@@H+]2CCC[C@@H]2[C@H]2CCCO2)c2ccccc12 ZINC000789508267 657857556 /nfs/dbraw/zinc/85/75/56/657857556.db2.gz QHYFRQMFXYGXCS-HUUCEWRRSA-N 1 0 378.270 2.760 20 0 GFADRO O=c1c(Br)nn(C[N@@H+]2CCC[C@H]2[C@@H]2CCCO2)c2ccccc12 ZINC000789508265 657857681 /nfs/dbraw/zinc/85/76/81/657857681.db2.gz QHYFRQMFXYGXCS-GJZGRUSLSA-N 1 0 378.270 2.760 20 0 GFADRO CCOC[C@H]1CC[N@H+](Cn2ncc3c2ccc(Br)c3C(=O)OC)C1 ZINC000790442823 657979457 /nfs/dbraw/zinc/97/94/57/657979457.db2.gz GBHWPDLGTARZKK-LBPRGKRZSA-N 1 0 396.285 2.901 20 0 GFADRO CCOC(=O)N[C@@H](C[NH2+]Cc1c(Br)c(C)nn1C)CC(C)C ZINC000790464011 657987097 /nfs/dbraw/zinc/98/70/97/657987097.db2.gz SELKKFZMHMWDQA-GFCCVEGCSA-N 1 0 375.311 2.741 20 0 GFADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)Cc2cccnc2Br)[C@H](C)C1 ZINC000791368873 658087725 /nfs/dbraw/zinc/08/77/25/658087725.db2.gz XIGLXQRKSOGMQU-ZBFHGGJFSA-N 1 0 398.345 2.640 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)N(CCO)Cc1cccnc1Cl)c1ccsc1 ZINC000792827230 658323188 /nfs/dbraw/zinc/32/31/88/658323188.db2.gz AAQPKJYBULDTRY-HNNXBMFYSA-N 1 0 382.917 2.603 20 0 GFADRO Cc1ccc(NC(=O)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)nc1Br ZINC000792985900 658341381 /nfs/dbraw/zinc/34/13/81/658341381.db2.gz MLFKRRHYBYFDAA-LBPRGKRZSA-N 1 0 399.333 2.574 20 0 GFADRO Cn1nc(Br)cc1C[NH2+]CCCCn1cc(Br)cn1 ZINC000793206896 658371555 /nfs/dbraw/zinc/37/15/55/658371555.db2.gz LXDKRUVHPYRVHL-UHFFFAOYSA-N 1 0 391.111 2.712 20 0 GFADRO Cc1ccc(NC(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)nc1Br ZINC000794369742 658534115 /nfs/dbraw/zinc/53/41/15/658534115.db2.gz UZHNJNNGDXFWCA-CYBMUJFWSA-N 1 0 397.317 2.775 20 0 GFADRO COc1c[nH+]ccc1N1CCN(Cn2ncc(Br)c2C2CC2)CC1 ZINC000794708238 658599728 /nfs/dbraw/zinc/59/97/28/658599728.db2.gz YCMGXBYPSYIGQD-UHFFFAOYSA-N 1 0 392.301 2.706 20 0 GFADRO COc1ccc(S(=O)(=O)NC[C@@H](C)[NH+]2CCCCC2)c(Br)c1 ZINC000795077681 658663568 /nfs/dbraw/zinc/66/35/68/658663568.db2.gz CNIAUNSKAYFEFZ-GFCCVEGCSA-N 1 0 391.331 2.610 20 0 GFADRO CCN(CCC[NH+](C)C)S(=O)(=O)c1c(OC)ccc2nc(Cl)ccc21 ZINC000795182971 658704629 /nfs/dbraw/zinc/70/46/29/658704629.db2.gz YDIOOZXTPSMRSX-UHFFFAOYSA-N 1 0 385.917 2.859 20 0 GFADRO C[N@@H+]1CCC[C@@H]2CN(CN3Cc4cccc(Br)c4C3=O)CC[C@@H]21 ZINC000795435019 658818624 /nfs/dbraw/zinc/81/86/24/658818624.db2.gz JRCBPEALPRFICC-CJNGLKHVSA-N 1 0 378.314 2.779 20 0 GFADRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1sccc1C(N)=O)[C@@H]1OCCc2sccc21 ZINC000795489099 658825134 /nfs/dbraw/zinc/82/51/34/658825134.db2.gz UUFHEVQYFVMINK-BFVZDQMLSA-N 1 0 379.507 2.528 20 0 GFADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]CC1(C(F)(F)F)CC1 ZINC000796489266 658919531 /nfs/dbraw/zinc/91/95/31/658919531.db2.gz KRHGEDKLRKJJHU-SNVBAGLBSA-N 1 0 385.839 2.637 20 0 GFADRO Cc1cc(Br)cc(C[NH2+]C[C@H]2CCCCN2S(C)(=O)=O)c1 ZINC000796509535 658920750 /nfs/dbraw/zinc/92/07/50/658920750.db2.gz HRMGTTSHYKIISF-OAHLLOKOSA-N 1 0 375.332 2.661 20 0 GFADRO CCc1nnc(NC(=O)[C@@H](C)[C@@H](C)[NH2+]Cc2c(Cl)nc(Cl)n2C)s1 ZINC000796528202 658921706 /nfs/dbraw/zinc/92/17/06/658921706.db2.gz FCHYXDADLCNVQX-JGVFFNPUSA-N 1 0 391.328 2.894 20 0 GFADRO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[NH2+]C(C)(C)C(=O)N1CCCC1 ZINC000796581390 658925081 /nfs/dbraw/zinc/92/50/81/658925081.db2.gz XTIQEQFLKMKZDS-UHFFFAOYSA-N 1 0 386.323 2.942 20 0 GFADRO CC[C@@H]1C[N@H+](C)CCCN1C(=O)CCN1C(=S)N=NC1c1cccs1 ZINC000798142571 659076011 /nfs/dbraw/zinc/07/60/11/659076011.db2.gz ZUZNPJZKNWVMNO-CYBMUJFWSA-N 1 0 379.555 2.628 20 0 GFADRO COc1cc(C(=O)N2CCCC3(CC[NH+](C)CC3)C2)cnc1Br ZINC000799028715 659161119 /nfs/dbraw/zinc/16/11/19/659161119.db2.gz KSKVWNBENBYZJG-UHFFFAOYSA-N 1 0 382.302 2.801 20 0 GFADRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)N2CCC=C(Br)C2)[C@@H](C)C1 ZINC000799371304 659184982 /nfs/dbraw/zinc/18/49/82/659184982.db2.gz GZJWYFIENSTPJU-GOEBONIOSA-N 1 0 388.350 2.818 20 0 GFADRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@H](O)c1cccc(Br)c1 ZINC000799938727 659247466 /nfs/dbraw/zinc/24/74/66/659247466.db2.gz FZDOTDSOSBWQBB-CPUCHLNUSA-N 1 0 398.345 2.902 20 0 GFADRO C[NH+](C)CC1(CNC(=O)NC[C@H](O)c2cccc(Br)c2)CCCC1 ZINC000799982693 659253556 /nfs/dbraw/zinc/25/35/56/659253556.db2.gz KSTPFVWMWHHGPF-INIZCTEOSA-N 1 0 398.345 2.904 20 0 GFADRO O=C(CNC(=O)c1ccc(Br)cc1)OCCC[NH+]1CCCCC1 ZINC000800080930 659266626 /nfs/dbraw/zinc/26/66/26/659266626.db2.gz SMNKLQKUTRFQPF-UHFFFAOYSA-N 1 0 383.286 2.598 20 0 GFADRO O=C(Cc1ccc(S(=O)(=O)C(F)F)cc1)OCCC[NH+]1CCCCC1 ZINC000800171466 659285120 /nfs/dbraw/zinc/28/51/20/659285120.db2.gz KHTPSDXFOQLFLG-UHFFFAOYSA-N 1 0 375.437 2.645 20 0 GFADRO O=C(COc1cccc(I)c1)OCCC[NH+]1CCCC1 ZINC000800218030 659293413 /nfs/dbraw/zinc/29/34/13/659293413.db2.gz WVNUNRIPUCAVIZ-UHFFFAOYSA-N 1 0 389.233 2.699 20 0 GFADRO C[C@H](Cn1cc(Br)cn1)[NH2+]CCCNC(=O)/C=C\c1ccccc1 ZINC000800504902 659313606 /nfs/dbraw/zinc/31/36/06/659313606.db2.gz HDRHJPZZRWBFGD-WHLNPGIBSA-N 1 0 391.313 2.843 20 0 GFADRO Cc1nn(C)c(Br)c1C(=O)N1CCC[C@@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000801091141 659367565 /nfs/dbraw/zinc/36/75/65/659367565.db2.gz VELNTTDVEBRUQH-MBNYWOFBSA-N 1 0 383.334 2.968 20 0 GFADRO CC[NH+]1CCC(CNC(=O)NC[C@@H](O)c2cccc(Br)c2)CC1 ZINC000801754274 659422899 /nfs/dbraw/zinc/42/28/99/659422899.db2.gz CTVRXQNMQHAPKI-MRXNPFEDSA-N 1 0 384.318 2.514 20 0 GFADRO CC[N@H+](CC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@H](C)CS(C)(=O)=O ZINC000801920327 659434848 /nfs/dbraw/zinc/43/48/48/659434848.db2.gz PFIDWIWGZINUHE-CVEARBPZSA-N 1 0 376.563 2.779 20 0 GFADRO O[C@H](C[NH2+]C1CCN(c2cnccn2)CC1)c1cccc(Br)c1 ZINC000802315777 659476493 /nfs/dbraw/zinc/47/64/93/659476493.db2.gz DMDIITJDSOKSAJ-MRXNPFEDSA-N 1 0 377.286 2.531 20 0 GFADRO C[C@@H]1CCC[N@@H+]1CCNC(=O)C(=O)Nc1cccc(Br)c1Cl ZINC000802558149 659486313 /nfs/dbraw/zinc/48/63/13/659486313.db2.gz KZJIBVGHPUHFED-SNVBAGLBSA-N 1 0 388.693 2.642 20 0 GFADRO O=C(COC(=O)c1ccc(C(F)(F)F)s1)NC1CC[NH+](C2CC2)CC1 ZINC000803863210 659611380 /nfs/dbraw/zinc/61/13/80/659611380.db2.gz CKQITAPWCQFPEW-UHFFFAOYSA-N 1 0 376.400 2.667 20 0 GFADRO CNC(=O)OC[C@H]1CCCC[N@@H+]1C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000805828708 659808187 /nfs/dbraw/zinc/80/81/87/659808187.db2.gz PHTFOGQROUJFFE-CHWSQXEVSA-N 1 0 391.295 2.944 20 0 GFADRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1CN1C(=O)c2ccc(Br)cc2C1=O ZINC000808192673 659881251 /nfs/dbraw/zinc/88/12/51/659881251.db2.gz SFOZIISGCOHKNT-BLLLJJGKSA-N 1 0 392.297 2.561 20 0 GFADRO CCCC[N@H+](C)C[C@H](C)NS(=O)(=O)c1cc(C(=O)OC)c(Cl)cc1F ZINC000808356871 659892693 /nfs/dbraw/zinc/89/26/93/659892693.db2.gz QDHZJVAFJZVJQO-NSHDSACASA-N 1 0 394.896 2.664 20 0 GFADRO O[C@@H]1c2ccccc2OC[C@H]1[NH2+]Cc1cc(Br)cc2c1OCC2 ZINC000808454864 659894848 /nfs/dbraw/zinc/89/48/48/659894848.db2.gz UILJIJQASWCKEI-NVXWUHKLSA-N 1 0 376.250 2.968 20 0 GFADRO FC(F)(F)CN1CCC(CC[NH2+]Cc2ncc(C3OCCO3)s2)CC1 ZINC000809625373 659934202 /nfs/dbraw/zinc/93/42/02/659934202.db2.gz CYAJIOFTBDIKKI-UHFFFAOYSA-N 1 0 379.448 2.943 20 0 GFADRO CNC(=O)c1cccc(CC[NH2+]Cc2nc3ccccn3c2Br)c1 ZINC000809623196 659934301 /nfs/dbraw/zinc/93/43/01/659934301.db2.gz QZLLRNFYDRKFQW-UHFFFAOYSA-N 1 0 387.281 2.789 20 0 GFADRO Brc1c(C[NH2+][C@@H]2CCCC[C@@H]2N2CCOCC2)nc2ccccn21 ZINC000809628651 659934602 /nfs/dbraw/zinc/93/46/02/659934602.db2.gz NZHHUGTUKCTZSN-ZBFHGGJFSA-N 1 0 393.329 2.830 20 0 GFADRO CCS(=O)(=O)N1CCC([C@H](C)[N@H+](C)Cc2occc2Br)CC1 ZINC000809785938 659939384 /nfs/dbraw/zinc/93/93/84/659939384.db2.gz INFMYGMPLZDGRK-LBPRGKRZSA-N 1 0 393.347 2.924 20 0 GFADRO COC(=O)c1ccc(Cl)c(C(=O)N2C[C@@H]([NH+]3CCCC3)[C@@H](SC)C2)c1 ZINC000811034129 659995384 /nfs/dbraw/zinc/99/53/84/659995384.db2.gz OPDXIPTVOUKBJI-CVEARBPZSA-N 1 0 382.913 2.778 20 0 GFADRO CC[C@@H](C(=O)OCCc1cnc2c(Br)cnn2c1)[NH+](CC)CC ZINC000811164424 660002522 /nfs/dbraw/zinc/00/25/22/660002522.db2.gz QXEQMTUCNSQDDE-AWEZNQCLSA-N 1 0 383.290 2.698 20 0 GFADRO CC(C)C[C@H](C[NH2+][C@@H]1CCC[C@@H](S(C)(=O)=O)C1)NC(=O)OC(C)(C)C ZINC000811480913 660009987 /nfs/dbraw/zinc/00/99/87/660009987.db2.gz JNZSHIGTCGPCQQ-BZUAXINKSA-N 1 0 376.563 2.871 20 0 GFADRO CC(C)(C)OC(=O)NC[C@](C)(O)C[NH2+]Cc1cc(F)cc(Br)c1 ZINC000811814134 660015856 /nfs/dbraw/zinc/01/58/56/660015856.db2.gz QNBCUQIWKYLBEE-MRXNPFEDSA-N 1 0 391.281 2.954 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3cn(-c4ccc(Br)cc4)cn3)C[C@@H]2C1 ZINC000812341225 660025219 /nfs/dbraw/zinc/02/52/19/660025219.db2.gz YQDGUFVAMPHZTA-KGLIPLIRSA-N 1 0 389.297 2.659 20 0 GFADRO C[N@H+](CCc1ccc(S(N)(=O)=O)cc1)CCc1cccc(Br)c1 ZINC000812907683 660036391 /nfs/dbraw/zinc/03/63/91/660036391.db2.gz SCFXTKINDBKHRE-UHFFFAOYSA-N 1 0 397.338 2.814 20 0 GFADRO O=C(NCC1([NH+]2CCSCC2)CCCC1)[C@@H](O)c1ccc(Cl)cc1F ZINC000813410956 660053702 /nfs/dbraw/zinc/05/37/02/660053702.db2.gz YPKBIDKSOOVPNG-INIZCTEOSA-N 1 0 386.920 2.990 20 0 GFADRO C[N@@H+]1CC[C@@]2(CCN(S(=O)(=O)/C=C\c3ccccc3Br)C2)C1 ZINC000813760054 660063364 /nfs/dbraw/zinc/06/33/64/660063364.db2.gz MDMUNRFDSOQCLI-BDJZEXMMSA-N 1 0 385.327 2.777 20 0 GFADRO Cn1nc(Br)cc1C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)OC(C)(C)C ZINC000813788508 660064854 /nfs/dbraw/zinc/06/48/54/660064854.db2.gz NWRKXERKIFRXLV-JQWIXIFHSA-N 1 0 391.285 2.620 20 0 GFADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)C1(Cc2ccccc2Br)CC1 ZINC000814108726 660073210 /nfs/dbraw/zinc/07/32/10/660073210.db2.gz HACHJWXCCAFEAO-JKSUJKDBSA-N 1 0 393.325 2.751 20 0 GFADRO COC(=O)[C@H]1[C@@H]2C[N@@H+](Cc3cn(-c4ccc(Br)cc4)nc3C)C[C@@H]21 ZINC000814173109 660073964 /nfs/dbraw/zinc/07/39/64/660073964.db2.gz JBAZMNJLVCUJLN-FVQHAEBGSA-N 1 0 390.281 2.794 20 0 GFADRO CC[NH+]1CCN(c2ccc(NC(=O)c3nn(C)cc3Br)cc2)CC1 ZINC000814375624 660078001 /nfs/dbraw/zinc/07/80/01/660078001.db2.gz JHAFHKCBERABDX-UHFFFAOYSA-N 1 0 392.301 2.577 20 0 GFADRO CC1CC[NH+](CCCCNS(=O)(=O)c2ccc(Cl)c3nonc32)CC1 ZINC000814379343 660078325 /nfs/dbraw/zinc/07/83/25/660078325.db2.gz NUZHQKUCVJEZSB-UHFFFAOYSA-N 1 0 386.905 2.667 20 0 GFADRO COC(=O)[C@H]1CC[N@H+](C[C@@](C)(O)c2ccc(Br)cc2Cl)C1 ZINC000815021173 660102701 /nfs/dbraw/zinc/10/27/01/660102701.db2.gz LYFNBHKVRNFVFK-ZUZCIYMTSA-N 1 0 376.678 2.805 20 0 GFADRO CS[C@@H]1CN(C[C@@](C)(O)c2ccc(Br)cc2F)C[C@@H]1[NH+](C)C ZINC000815079039 660110109 /nfs/dbraw/zinc/11/01/09/660110109.db2.gz LKWPNBPADUZMAQ-ARFHVFGLSA-N 1 0 391.350 2.773 20 0 GFADRO CCc1nocc1C[NH2+]CCOc1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000815133871 660114177 /nfs/dbraw/zinc/11/41/77/660114177.db2.gz ZYOLRRDJTMZPRJ-UHFFFAOYSA-N 1 0 378.372 2.699 20 0 GFADRO CC(C)[C@H]([NH2+]C[C@@H](O)COc1cccc(Br)c1)C1(CO)CCC1 ZINC000815255185 660118450 /nfs/dbraw/zinc/11/84/50/660118450.db2.gz REBWISCDMUGKHG-WBVHZDCISA-N 1 0 386.330 2.966 20 0 GFADRO CS(=O)(=O)CC1CCC([NH2+]C[C@@H](O)c2cccc(C(F)(F)F)c2)CC1 ZINC000815592518 660126095 /nfs/dbraw/zinc/12/60/95/660126095.db2.gz KLHQDERPQJIYDV-VDSRIPIWSA-N 1 0 379.444 2.932 20 0 GFADRO CC[NH+](CC)C[C@@H]1CCN(C(=O)c2cn3c(Br)cnc3s2)C1 ZINC000815719444 660129323 /nfs/dbraw/zinc/12/93/23/660129323.db2.gz FFCOHMQQBRUJFM-NSHDSACASA-N 1 0 385.331 2.962 20 0 GFADRO CS(=O)(=O)[C@H]1CCC[C@H]([NH2+]CC(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000816542772 660160699 /nfs/dbraw/zinc/16/06/99/660160699.db2.gz AIFDVTAOAOYHGM-RYUDHWBXSA-N 1 0 379.309 2.877 20 0 GFADRO O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1nc(F)ccc1Br ZINC000816806169 660169273 /nfs/dbraw/zinc/16/92/73/660169273.db2.gz UNZIRDFCTSJGKF-CYBMUJFWSA-N 1 0 378.245 2.988 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)c1coc(Sc2ncccn2)n1)c1cccs1 ZINC000816815841 660169418 /nfs/dbraw/zinc/16/94/18/660169418.db2.gz FFKRLWMRSYFHLQ-LBPRGKRZSA-N 1 0 375.479 2.710 20 0 GFADRO COCC[NH+]1CCC(NC(=O)Nc2cnc(Cl)c(C(F)(F)F)c2)CC1 ZINC000841805393 661315302 /nfs/dbraw/zinc/31/53/02/661315302.db2.gz XWLPMAHFAGZVGJ-UHFFFAOYSA-N 1 0 380.798 2.986 20 0 GFADRO Cc1ccc(-c2noc(-c3cn(CCCC[NH3+])nn3)n2)c(Br)c1 ZINC000841826951 661316376 /nfs/dbraw/zinc/31/63/76/661316376.db2.gz HWYCSEQRUHKZTA-UHFFFAOYSA-N 1 0 377.246 2.805 20 0 GFADRO O=C(NCC[C@@H]1CC[NH2+]C1)N1CCO[C@H](c2ccccc2Br)C1 ZINC000841937835 661317942 /nfs/dbraw/zinc/31/79/42/661317942.db2.gz CNWJLHJAKRXJSD-BBRMVZONSA-N 1 0 382.302 2.532 20 0 GFADRO [NH3+][C@@H]1CCC[C@H](NC(=O)N2CCO[C@@H](c3ccccc3Br)C2)C1 ZINC000841982362 661318894 /nfs/dbraw/zinc/31/88/94/661318894.db2.gz VQDBMZKBAIBGDE-DVOMOZLQSA-N 1 0 382.302 2.802 20 0 GFADRO O=C(NCCC1=CC[NH2+]CC1)N1CCO[C@H](c2ccccc2Br)C1 ZINC000841990178 661319235 /nfs/dbraw/zinc/31/92/35/661319235.db2.gz YJCUYTUKSLTRJS-KRWDZBQOSA-N 1 0 394.313 2.842 20 0 GFADRO Cn1cc(N2CC[C@H]([NH2+]Cc3cc(Cl)cc(Br)c3)C2=O)cn1 ZINC000842165371 661326085 /nfs/dbraw/zinc/32/60/85/661326085.db2.gz FVJPBHNECBPUSM-AWEZNQCLSA-N 1 0 383.677 2.731 20 0 GFADRO O=C(Cc1cccs1)Nc1nc(Cc2nc([C@H]3CCC[NH2+]3)no2)cs1 ZINC000842640099 661347002 /nfs/dbraw/zinc/34/70/02/661347002.db2.gz HDUICXHRSWJEFP-GFCCVEGCSA-N 1 0 375.479 2.784 20 0 GFADRO CC(=O)N[C@H](Cc1nc([C@@H]2CCC[NH2+]C2)no1)c1ccc(Br)cc1 ZINC000842663551 661347851 /nfs/dbraw/zinc/34/78/51/661347851.db2.gz BRYVQPLEGWJAIO-UKRRQHHQSA-N 1 0 393.285 2.719 20 0 GFADRO Brc1ccccc1-n1cc(-c2nc([C@H]3CCC[NH2+]C3)no2)nn1 ZINC000842664432 661347901 /nfs/dbraw/zinc/34/79/01/661347901.db2.gz DRHRBFZJSYFKBH-JTQLQIEISA-N 1 0 375.230 2.547 20 0 GFADRO COc1ccc(-c2nc([C@@H]3CCC[NH2+]C3)no2)c(I)c1 ZINC000842667914 661348107 /nfs/dbraw/zinc/34/81/07/661348107.db2.gz JISDXFUFMXVFPI-SECBINFHSA-N 1 0 385.205 2.817 20 0 GFADRO CCN(CC)[C@H](C[NH2+]Cc1ccc(S(N)(=O)=O)cc1F)c1ccsc1 ZINC000842668720 661348196 /nfs/dbraw/zinc/34/81/96/661348196.db2.gz IPUSZJZNFGTUDQ-QGZVFWFLSA-N 1 0 385.530 2.707 20 0 GFADRO O=S(=O)(/C=C\c1ccc(Br)cc1)N(C1CC1)C1CC[NH2+]CC1 ZINC000842687987 661349397 /nfs/dbraw/zinc/34/93/97/661349397.db2.gz FTNCKCQKAKESQC-XFXZXTDPSA-N 1 0 385.327 2.966 20 0 GFADRO Cn1c(Cl)nc(Cl)c1C[NH2+]CC1(C(=O)OC(C)(C)C)CCOCC1 ZINC000842739950 661351843 /nfs/dbraw/zinc/35/18/43/661351843.db2.gz ILAMOCOMABWTAF-UHFFFAOYSA-N 1 0 378.300 2.955 20 0 GFADRO CC(C)[N@@H+]1CCC[C@@H](COC(=O)c2nccn3c(Br)cnc23)C1 ZINC000842831824 661356871 /nfs/dbraw/zinc/35/68/71/661356871.db2.gz YCGQMFZXDVNMTH-GFCCVEGCSA-N 1 0 381.274 2.769 20 0 GFADRO O=S(=O)(c1cnc(Cl)c(Cl)c1)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000842873039 661358325 /nfs/dbraw/zinc/35/83/25/661358325.db2.gz GUSFLLGOZIPBKR-NWDGAFQWSA-N 1 0 378.325 2.789 20 0 GFADRO O=S(=O)(c1ccc2nc(Cl)sc2c1)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000842892521 661359000 /nfs/dbraw/zinc/35/90/00/661359000.db2.gz FZPIVYXAGXYWNY-NWDGAFQWSA-N 1 0 385.942 2.960 20 0 GFADRO C[C@@](O)(C[NH2+]C[C@@H](CO)Cc1ccco1)c1ccc(Br)cc1F ZINC000843058902 661365498 /nfs/dbraw/zinc/36/54/98/661365498.db2.gz BKGJRPRSYLSMHJ-YVEFUNNKSA-N 1 0 386.261 2.830 20 0 GFADRO [NH3+]CCCCCCNC(=O)C(=O)Nc1cccc2cc(Br)cnc21 ZINC000843053659 661365566 /nfs/dbraw/zinc/36/55/66/661365566.db2.gz QATHWJKYLXWHSY-UHFFFAOYSA-N 1 0 393.285 2.571 20 0 GFADRO O[C@H](C[NH2+]C[C@@H](O)c1cccc(F)c1)COc1cccc(Br)c1 ZINC000843069414 661366202 /nfs/dbraw/zinc/36/62/02/661366202.db2.gz KMACCCCUIYASRW-NVXWUHKLSA-N 1 0 384.245 2.651 20 0 GFADRO Cc1cccc(OC[C@H](O)C[NH2+]C[C@@H](O)c2ccccc2Br)c1 ZINC000843070584 661366379 /nfs/dbraw/zinc/36/63/79/661366379.db2.gz VOSVFPVOBMAGMM-RDTXWAMCSA-N 1 0 380.282 2.820 20 0 GFADRO O[C@@H](C[NH2+]C[C@@H](O)c1ccc(Cl)c(F)c1)COc1ccc(F)c(F)c1 ZINC000843073334 661366515 /nfs/dbraw/zinc/36/65/15/661366515.db2.gz VDVQQRPDUWQPNX-APPDUMDISA-N 1 0 375.774 2.820 20 0 GFADRO CN(C[C@H](O)C[NH2+]C[C@H](O)c1c(Cl)cccc1Cl)C(=O)OC(C)(C)C ZINC000843085716 661367012 /nfs/dbraw/zinc/36/70/12/661367012.db2.gz XEXVVIIKYYMBFW-RISCZKNCSA-N 1 0 393.311 2.844 20 0 GFADRO CC(C)(C)OC(=O)NC[C@](C)(O)C[NH2+]C[C@@H](O)c1c(Cl)cccc1Cl ZINC000843082623 661367030 /nfs/dbraw/zinc/36/70/30/661367030.db2.gz DAYWYZZKAPNPGH-CXAGYDPISA-N 1 0 393.311 2.892 20 0 GFADRO O=S(=O)(CC[NH2+]C[C@@H](O)c1ccsc1)c1cccc(Br)c1 ZINC000843084553 661367076 /nfs/dbraw/zinc/36/70/76/661367076.db2.gz QLQFQNMXPAJEOH-CQSZACIVSA-N 1 0 390.324 2.608 20 0 GFADRO O[C@H](C[NH2+]C[C@@H](O)c1ccccc1Br)COc1ccccc1F ZINC000843094399 661367656 /nfs/dbraw/zinc/36/76/56/661367656.db2.gz JOYBCYWJNKBZOV-MLGOLLRUSA-N 1 0 384.245 2.651 20 0 GFADRO COc1ccc([C@@H](CO)C[NH2+]C[C@@H](O)c2ccccc2Br)cc1 ZINC000843098143 661367887 /nfs/dbraw/zinc/36/78/87/661367887.db2.gz VBWTXYOSEDXZTI-RDTXWAMCSA-N 1 0 380.282 2.857 20 0 GFADRO O[C@H](C[NH2+]CC[C@H](O)c1ccc(Cl)c(Cl)c1)COC1CCOCC1 ZINC000843100782 661367915 /nfs/dbraw/zinc/36/79/15/661367915.db2.gz ZRVFUQUIZQVOMR-DYVFJYSZSA-N 1 0 378.296 2.563 20 0 GFADRO OC[C@H](C[C@@H](O)c1ccccc1)[NH2+]C[C@@H](O)c1cccc(Br)c1 ZINC000843104018 661368123 /nfs/dbraw/zinc/36/81/23/661368123.db2.gz CZOGHRNKBMBOLF-RCCFBDPRSA-N 1 0 380.282 2.557 20 0 GFADRO Cc1nc(C[NH2+]C[C@@H](O)COc2cccc(Br)c2)ccc1[C@@H](C)O ZINC000843108370 661368367 /nfs/dbraw/zinc/36/83/67/661368367.db2.gz YWDXDRSSYUUEMH-CZUORRHYSA-N 1 0 395.297 2.735 20 0 GFADRO C[C@](O)(C[NH2+][C@@H](CO)Cc1ccncc1)c1ccc(Br)cc1Cl ZINC000843110504 661368492 /nfs/dbraw/zinc/36/84/92/661368492.db2.gz NAGYQXUZXWZHHU-PBHICJAKSA-N 1 0 399.716 2.898 20 0 GFADRO C[C@@](O)(C[NH2+][C@H](CO)Cc1ccncc1)c1ccc(Br)cc1Cl ZINC000843110506 661368579 /nfs/dbraw/zinc/36/85/79/661368579.db2.gz NAGYQXUZXWZHHU-WMLDXEAASA-N 1 0 399.716 2.898 20 0 GFADRO O[C@H](C[NH2+]C[C@@H]1CCC2(CCOCC2)[C@@H]1O)c1ccc(Br)cc1 ZINC000843112244 661368755 /nfs/dbraw/zinc/36/87/55/661368755.db2.gz DGPQKDBKRVYUAH-USXIJHARSA-N 1 0 384.314 2.640 20 0 GFADRO O[C@H](C[NH2+]C[C@@H]1CCC2(CCOCC2)[C@H]1O)c1cccc(Br)c1 ZINC000843112317 661369031 /nfs/dbraw/zinc/36/90/31/661369031.db2.gz GTRSTUJROMZZSD-UAGQMJEPSA-N 1 0 384.314 2.640 20 0 GFADRO OCC[C@H](Cc1ccccc1)[NH2+]C[C@@H](O)COc1cccc(Br)c1 ZINC000843115247 661369336 /nfs/dbraw/zinc/36/93/36/661369336.db2.gz SIAUDHQXTYKZTN-QZTJIDSGSA-N 1 0 394.309 2.772 20 0 GFADRO C[C@@](O)(C[NH2+][C@@H]1CCCC(F)(F)[C@H]1O)c1ccc(Br)cc1F ZINC000843115623 661369458 /nfs/dbraw/zinc/36/94/58/661369458.db2.gz MWQDSBTYAFEHFX-HZSPNIEDSA-N 1 0 382.220 2.934 20 0 GFADRO Cc1c(Br)cccc1C[C@H](CO)C[NH2+]C[C@@H](O)c1ccc(F)cn1 ZINC000843117920 661369767 /nfs/dbraw/zinc/36/97/67/661369767.db2.gz WRYWIGWKQILIFO-SCLBCKFNSA-N 1 0 397.288 2.766 20 0 GFADRO Cn1ccnc1[C@H]([NH2+]C[C@@H](O)c1ccccc1Br)C(C)(C)CO ZINC000843119493 661370211 /nfs/dbraw/zinc/37/02/11/661370211.db2.gz UUKVCKIHOKRRGM-CABCVRRESA-N 1 0 382.302 2.565 20 0 GFADRO Brc1ccc2nc(CN3CC[C@@H](N4CC[NH2+]CC4)C3)sc2c1 ZINC000843122837 661370360 /nfs/dbraw/zinc/37/03/60/661370360.db2.gz OUAJMXRUCOHAOJ-CYBMUJFWSA-N 1 0 381.343 2.538 20 0 GFADRO Brc1cc(Cc2noc(CC[C@@H]3CCC[NH2+]3)n2)cc2c1OCCO2 ZINC000843202552 661372216 /nfs/dbraw/zinc/37/22/16/661372216.db2.gz HRXJMARLDPXTHI-LBPRGKRZSA-N 1 0 394.269 2.879 20 0 GFADRO C[NH2+]CCCc1nc(Cc2cc(Br)c3c(c2)OCCCO3)no1 ZINC000843203149 661372458 /nfs/dbraw/zinc/37/24/58/661372458.db2.gz PXPWVLSNGRAWIW-UHFFFAOYSA-N 1 0 382.258 2.736 20 0 GFADRO Brc1cc(Cc2noc(CC[C@@H]3CC[NH2+]C3)n2)cc2c1OCCO2 ZINC000843204008 661372603 /nfs/dbraw/zinc/37/26/03/661372603.db2.gz ZSTVSCLZIOIHTN-LLVKDONJSA-N 1 0 394.269 2.736 20 0 GFADRO Clc1ccc(O[C@@H]2CCOC2)c(-c2noc(C[C@@H]3CSCC[NH2+]3)n2)c1 ZINC000843210223 661372809 /nfs/dbraw/zinc/37/28/09/661372809.db2.gz VZHLGPIXNBYDCA-CHWSQXEVSA-N 1 0 381.885 2.805 20 0 GFADRO Brc1cccc(-c2nc(-c3noc(CC[C@H]4CC[NH2+]C4)n3)n[nH]2)c1 ZINC000843228965 661374246 /nfs/dbraw/zinc/37/42/46/661374246.db2.gz OTSOCQCQFAITLT-JTQLQIEISA-N 1 0 389.257 2.826 20 0 GFADRO COCC[C@H](NC(=O)CO[C@H]1CCC[NH2+]C1)c1ccc(Cl)c(Cl)c1 ZINC000843500184 661383508 /nfs/dbraw/zinc/38/35/08/661383508.db2.gz QXBOMCHDNLDWCP-BBRMVZONSA-N 1 0 375.296 2.956 20 0 GFADRO CCCN(C(=O)/C=C/c1ccc(I)o1)[C@H]1CC[N@H+](C)C1 ZINC000843993466 661399818 /nfs/dbraw/zinc/39/98/18/661399818.db2.gz NGSMNMQRZYGOSE-PZBABLGHSA-N 1 0 388.249 2.840 20 0 GFADRO C[C@H]1CCC[N@H+](CCCCS(C)(=O)=O)[C@H]1CCNC(=O)OC(C)(C)C ZINC000844402551 661419464 /nfs/dbraw/zinc/41/94/64/661419464.db2.gz QUCFOIMEVKHROV-HOTGVXAUSA-N 1 0 376.563 2.827 20 0 GFADRO O=C1C=C(c2ccc(Br)cc2)CN1C[N@@H+]1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000844698523 661435517 /nfs/dbraw/zinc/43/55/17/661435517.db2.gz NIMWWJVSSFROAV-HZPDHXFCSA-N 1 0 391.309 2.991 20 0 GFADRO CC(C)(Cc1cccc(Br)c1)c1noc([C@]23C[NH2+]C[C@H]2COC3)n1 ZINC000844918438 661449167 /nfs/dbraw/zinc/44/91/67/661449167.db2.gz BEFNCVHRCLOFPY-UGSOOPFHSA-N 1 0 392.297 2.840 20 0 GFADRO O=C(NCCC[C@H]1CC1(Cl)Cl)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000844998821 661452756 /nfs/dbraw/zinc/45/27/56/661452756.db2.gz JDEHDLUNDGHDID-KGLIPLIRSA-N 1 0 378.344 2.761 20 0 GFADRO CC(C)Oc1cc(C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)ccc1Br ZINC000845344945 661467498 /nfs/dbraw/zinc/46/74/98/661467498.db2.gz YRZJUDWCFHVSQY-CABCVRRESA-N 1 0 397.313 2.829 20 0 GFADRO C[C@]1(CCNC(=O)N2CCC(CC[NH+]3CCOCC3)CC2)C[C@@]1(F)Cl ZINC000845403081 661469167 /nfs/dbraw/zinc/46/91/67/661469167.db2.gz UYYIXAJHZOPFGC-ROUUACIJSA-N 1 0 375.916 2.835 20 0 GFADRO CCO[C@@H]1CN(C(=O)N[C@@H]2CCOc3c(Cl)c(Cl)ccc32)C[C@H]1C[NH3+] ZINC000846160604 661534522 /nfs/dbraw/zinc/53/45/22/661534522.db2.gz UDPJGQPIFSAARU-LERXQTSPSA-N 1 0 388.295 2.822 20 0 GFADRO CN(C[C@@H](O)c1ccccc1Br)C(=O)NCCC1CC[NH2+]CC1 ZINC000846216122 661538471 /nfs/dbraw/zinc/53/84/71/661538471.db2.gz XKNVUWIUVYMVLU-MRXNPFEDSA-N 1 0 384.318 2.514 20 0 GFADRO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCN(C(=O)Nc3cccnc3Br)C2)C1 ZINC000846306072 661544284 /nfs/dbraw/zinc/54/42/84/661544284.db2.gz FJIBLTKGVQURMY-YRGRVCCFSA-N 1 0 383.290 2.594 20 0 GFADRO Cc1nc(Br)ccc1NC(=O)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000846307106 661544294 /nfs/dbraw/zinc/54/42/94/661544294.db2.gz NGPQSBTYEQHUQH-GZBFAFLISA-N 1 0 397.317 2.903 20 0 GFADRO COc1cc(Br)c(Cl)cc1C(=O)NOC1CC[NH+](C)CC1 ZINC000846651637 661560769 /nfs/dbraw/zinc/56/07/69/661560769.db2.gz RBGORCNTZAPSCW-UHFFFAOYSA-N 1 0 377.666 2.867 20 0 GFADRO C[C@@H]1CCCN(C(=O)/C=C/c2ccc(I)o2)[C@H]1CC[NH3+] ZINC000846695172 661562257 /nfs/dbraw/zinc/56/22/57/661562257.db2.gz SVDCWPDXAONEMG-HASJVIIQSA-N 1 0 388.249 2.873 20 0 GFADRO BrC1(C[N@@H+]2CCC[C@H](CN3CCN(c4ccccn4)CC3)C2)CC1 ZINC000846789136 661565996 /nfs/dbraw/zinc/56/59/96/661565996.db2.gz ODNACRAHKJYDOO-QGZVFWFLSA-N 1 0 393.373 2.843 20 0 GFADRO C[NH+]1CCN(c2ccccc2NC(=O)c2cnc(F)c(Br)c2)CC1 ZINC000847311537 661587022 /nfs/dbraw/zinc/58/70/22/661587022.db2.gz YAEMBKMKWQKGQB-UHFFFAOYSA-N 1 0 393.260 2.987 20 0 GFADRO Cc1nc(Cl)c(Cl)cc1C(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000847630344 661602824 /nfs/dbraw/zinc/60/28/24/661602824.db2.gz GUHYOZRKHZTRBC-MLGOLLRUSA-N 1 0 385.339 2.795 20 0 GFADRO C[N@@H+]1CC[C@H](CCOC(=O)[C@@H]2CC(=O)N(c3ccccc3Br)C2)C1 ZINC000847825031 661612298 /nfs/dbraw/zinc/61/22/98/661612298.db2.gz PWUOIZQNWDLFLZ-ZIAGYGMSSA-N 1 0 395.297 2.687 20 0 GFADRO CO[C@@H](C(=O)NCc1ccc(CC[NH3+])cc1)c1ccccc1Br ZINC000848395161 661645804 /nfs/dbraw/zinc/64/58/04/661645804.db2.gz ZQRBCDPAEDXFIM-QGZVFWFLSA-N 1 0 377.282 2.954 20 0 GFADRO Cn1nnc2c1CC[C@@H]([NH2+]Cc1nc3ccc(Br)cc3s1)C2 ZINC000848565883 661665107 /nfs/dbraw/zinc/66/51/07/661665107.db2.gz NPHAKCYNXFFBBJ-SNVBAGLBSA-N 1 0 378.299 2.834 20 0 GFADRO O=C(Cc1noc([C@@H]2C[C@]23CCC[NH2+]C3)n1)Nc1ccccc1Br ZINC000848628730 661668834 /nfs/dbraw/zinc/66/88/34/661668834.db2.gz XXJMFPDMZQIBRI-GTNSWQLSSA-N 1 0 391.269 2.870 20 0 GFADRO CC1CCN(C(=[NH2+])NCc2cc(C(F)(F)F)cc(S(C)(=O)=O)c2)CC1 ZINC000849002276 661690415 /nfs/dbraw/zinc/69/04/15/661690415.db2.gz YTMFVYWAEVNZLT-UHFFFAOYSA-N 1 0 377.432 2.865 20 0 GFADRO C[C@H]1CN(C(=[NH2+])NCCCOc2ncc(C(F)(F)F)cc2Cl)CCO1 ZINC000849094985 661691480 /nfs/dbraw/zinc/69/14/80/661691480.db2.gz KCWFICMRMDKDNV-JTQLQIEISA-N 1 0 380.798 2.768 20 0 GFADRO Cc1ccc(Cl)c(NC(=S)N(CC[NH+](C)C)CC(=O)N(C)C)c1Cl ZINC000849293055 661704209 /nfs/dbraw/zinc/70/42/09/661704209.db2.gz PCWPJHDTVNJNNI-UHFFFAOYSA-N 1 0 391.368 2.950 20 0 GFADRO Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)Oc2cccc(Br)c2)cn1 ZINC000849486001 661733193 /nfs/dbraw/zinc/73/31/93/661733193.db2.gz DJQILMKAYGEBKS-JKSUJKDBSA-N 1 0 378.270 2.824 20 0 GFADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)NCc2ccc(Br)s2)cn1 ZINC000849495158 661733870 /nfs/dbraw/zinc/73/38/70/661733870.db2.gz BOJJGTLPAWJZJP-KBPBESRZSA-N 1 0 397.342 2.596 20 0 GFADRO Cc1cc(Br)ncc1NC(=O)[C@H]1CC[N@@H+](C)C[C@H]1c1cnn(C)c1 ZINC000849552914 661734337 /nfs/dbraw/zinc/73/43/37/661734337.db2.gz LTALMOUGLMJRIJ-KBPBESRZSA-N 1 0 392.301 2.560 20 0 GFADRO CC(C)[N@@H+]1CC[C@@H](C(=O)N2CCC=C(Br)C2)[C@H](c2cnn(C)c2)C1 ZINC000849585297 661734620 /nfs/dbraw/zinc/73/46/20/661734620.db2.gz BEHSQTITJFONLW-SJORKVTESA-N 1 0 395.345 2.745 20 0 GFADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@H]2C(=O)N2CCc3sc(Cl)cc3C2)cn1 ZINC000849606575 661734983 /nfs/dbraw/zinc/73/49/83/661734983.db2.gz PUGMFUPRIBFJMP-CABCVRRESA-N 1 0 378.929 2.755 20 0 GFADRO O=[S@@](CC[NH2+]Cc1cccc(I)c1)CC(F)(F)F ZINC000850350645 661771257 /nfs/dbraw/zinc/77/12/57/661771257.db2.gz UCHDDVZTFHCABU-SFHVURJKSA-N 1 0 391.196 2.692 20 0 GFADRO CC(C)(O)c1ccc(C[NH2+]CCNC(=O)c2ccc(Br)cn2)cc1 ZINC000850351510 661771269 /nfs/dbraw/zinc/77/12/69/661771269.db2.gz OPPSHCZTANLQPF-UHFFFAOYSA-N 1 0 392.297 2.591 20 0 GFADRO O=S(=O)(CC[NH2+]Cc1cc(F)cc(Br)c1)CC(F)(F)F ZINC000850365087 661772860 /nfs/dbraw/zinc/77/28/60/661772860.db2.gz AXCXOWHWSKVBRJ-UHFFFAOYSA-N 1 0 378.185 2.655 20 0 GFADRO COC(=O)N(C)CC[NH2+]Cc1cn(-c2ccc(Br)cc2)nc1C ZINC000850389777 661774010 /nfs/dbraw/zinc/77/40/10/661774010.db2.gz FVRJISFWFRVZEE-UHFFFAOYSA-N 1 0 381.274 2.731 20 0 GFADRO Ic1ccccc1CNC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000850396915 661774903 /nfs/dbraw/zinc/77/49/03/661774903.db2.gz RDYIDOIBOYBEHG-HNNXBMFYSA-N 1 0 386.277 2.634 20 0 GFADRO COC(=O)N1CCC([NH2+]CCc2ccc(I)cc2)CC1 ZINC000850400242 661774924 /nfs/dbraw/zinc/77/49/24/661774924.db2.gz CHUGGFOBECBOBR-UHFFFAOYSA-N 1 0 388.249 2.654 20 0 GFADRO O=C1OCCN1CCC[NH2+][C@@H]1CCc2ccc(I)cc21 ZINC000850431966 661775954 /nfs/dbraw/zinc/77/59/54/661775954.db2.gz NYBVFUGVFLBTNP-CQSZACIVSA-N 1 0 386.233 2.710 20 0 GFADRO C[C@@H]([NH2+]CC1SCCS1)[C@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000850562130 661781640 /nfs/dbraw/zinc/78/16/40/661781640.db2.gz XMJASNWLECRRPL-GDBMZVCRSA-N 1 0 382.551 2.808 20 0 GFADRO CCN(C(=O)C(=O)Nc1ccccc1SC(F)(F)F)[C@@H]1CC[N@H+](C)C1 ZINC000850582668 661782149 /nfs/dbraw/zinc/78/21/49/661782149.db2.gz GUZZFVGPNDZXRX-LLVKDONJSA-N 1 0 375.416 2.790 20 0 GFADRO CCN(C(=O)C(=O)Nc1ccc2nc(SC)sc2c1)[C@@H]1CC[N@H+](C)C1 ZINC000850582666 661782168 /nfs/dbraw/zinc/78/21/68/661782168.db2.gz GTYWRZMUNONJMJ-GFCCVEGCSA-N 1 0 378.523 2.509 20 0 GFADRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)N1CC[C@@]2(C)[C@@H](C1)C2(Br)Br ZINC000851667804 661828024 /nfs/dbraw/zinc/82/80/24/661828024.db2.gz SGZYXEGTACHJJA-BFLSOPEQSA-N 1 0 397.155 2.650 20 0 GFADRO CCOP(=O)(OCC)[C@@H](O)C[N@@H+]1CCN(C(=O)OC(C)(C)C)C[C@@H]1C ZINC000851766412 661831146 /nfs/dbraw/zinc/83/11/46/661831146.db2.gz BRQVWQCGENVJNI-UONOGXRCSA-N 1 0 380.422 2.512 20 0 GFADRO CC(C)(Cc1ccc(Br)cc1)[NH2+]C[C@](O)(C(N)=O)c1ccccc1 ZINC000851842633 661838066 /nfs/dbraw/zinc/83/80/66/661838066.db2.gz YJHYWXXCZWHCME-LJQANCHMSA-N 1 0 391.309 2.733 20 0 GFADRO CC(C)OC(=O)C[C@@H]([NH2+]CCn1cnc(Br)n1)c1ccccc1 ZINC000851921600 661846040 /nfs/dbraw/zinc/84/60/40/661846040.db2.gz WMESRGVKBLDGDR-CQSZACIVSA-N 1 0 381.274 2.713 20 0 GFADRO C[C@H]([NH2+]CCn1cnc(Br)n1)c1ccc(-n2cccn2)c(F)c1 ZINC000852090746 661852402 /nfs/dbraw/zinc/85/24/02/661852402.db2.gz AWOOMCFYNMZQSF-NSHDSACASA-N 1 0 379.237 2.716 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)NC[C@@H](O)c1ccccc1Br ZINC000852414751 661863645 /nfs/dbraw/zinc/86/36/45/661863645.db2.gz UDWHSUTXZHIVJT-IUODEOHRSA-N 1 0 384.318 2.655 20 0 GFADRO COCCSCCC[NH2+][C@@H]1Cc2ccccc2N(C(=O)C(F)(F)F)C1 ZINC000852451365 661864065 /nfs/dbraw/zinc/86/40/65/661864065.db2.gz IYGHDLJRNQFBCG-CQSZACIVSA-N 1 0 376.444 2.866 20 0 GFADRO O=C(N1CCC[C@H]([C@@H]2CCCC[N@H+]2C[C@H](O)C(F)(F)F)C1)C(F)(F)F ZINC000852472324 661865508 /nfs/dbraw/zinc/86/55/08/661865508.db2.gz BYUGTMFJGHJBER-SRVKXCTJSA-N 1 0 376.341 2.565 20 0 GFADRO CC(C)[C@H]([NH2+]C[C@H]1CCCN(S(C)(=O)=O)C1)[C@H](O)c1ccc(Cl)cc1 ZINC000852730990 661872493 /nfs/dbraw/zinc/87/24/93/661872493.db2.gz HPBLDCKENSWSJB-FHLIZLRMSA-N 1 0 388.961 2.659 20 0 GFADRO CCCN(C(=O)c1cnn(-c2ccccc2)c1Br)[C@@H]1CC[NH2+]C1 ZINC000852796810 661874575 /nfs/dbraw/zinc/87/45/75/661874575.db2.gz YCUXEKGEPRPMIK-CQSZACIVSA-N 1 0 377.286 2.849 20 0 GFADRO CCCN(C(=O)c1cccc(S(=O)(=O)C(F)(F)F)c1)C1CC[NH2+]CC1 ZINC000852824496 661875271 /nfs/dbraw/zinc/87/52/71/661875271.db2.gz CIJHAGFQHOBRPV-UHFFFAOYSA-N 1 0 378.416 2.584 20 0 GFADRO C[NH2+]CCC1CCN(C(=O)[C@]2(C)CC2(Br)Br)CC1 ZINC000852874297 661876041 /nfs/dbraw/zinc/87/60/41/661876041.db2.gz JZLWALAFBKSPHW-LBPRGKRZSA-N 1 0 382.140 2.731 20 0 GFADRO O=C(C=C1CC[NH2+]CC1)NC1CCN(Cc2ccc(Br)cc2)CC1 ZINC000852871901 661876072 /nfs/dbraw/zinc/87/60/72/661876072.db2.gz DPVHXQVQVCAKMP-UHFFFAOYSA-N 1 0 392.341 2.840 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)c3cnn(-c4ccccc4)c3Br)C[C@H]21 ZINC000852876363 661876180 /nfs/dbraw/zinc/87/61/80/661876180.db2.gz ZMKXIFYYNZIKTL-DAXOMENPSA-N 1 0 389.297 2.834 20 0 GFADRO C[C@@]1(C(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)CC1(Br)Br ZINC000852880632 661876395 /nfs/dbraw/zinc/87/63/95/661876395.db2.gz NWTYWXIJEDYISO-YPMHNXCESA-N 1 0 394.151 2.731 20 0 GFADRO Cc1nn(C)c(Br)c1C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1 ZINC000852906923 661877076 /nfs/dbraw/zinc/87/70/76/661877076.db2.gz XYOMULUOMISMQW-ZIAGYGMSSA-N 1 0 395.276 2.506 20 0 GFADRO CCOCC[NH+]1CCN(c2nc(Cl)nc3c(Br)c[nH]c32)CC1 ZINC000853278317 661886740 /nfs/dbraw/zinc/88/67/40/661886740.db2.gz BPKMVRPYKJWGID-UHFFFAOYSA-N 1 0 388.697 2.532 20 0 GFADRO CCOCCC[N@@H+]1CC[C@@H](Nc2ncnc(F)c2Br)[C@@H](C)C1 ZINC000853342270 661887788 /nfs/dbraw/zinc/88/77/88/661887788.db2.gz BQBDDXIGBLRNDF-NWDGAFQWSA-N 1 0 375.286 2.927 20 0 GFADRO O=C(N1CCC[C@@H](C2CC[NH+](CN3CCSC3=S)CC2)C1)C(F)(F)F ZINC000853572922 661893212 /nfs/dbraw/zinc/89/32/12/661893212.db2.gz SYGBVDOGTZANRD-CYBMUJFWSA-N 1 0 395.516 2.791 20 0 GFADRO CN(C[C@@H](O)c1cccc(Br)c1)C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000854312891 661924104 /nfs/dbraw/zinc/92/41/04/661924104.db2.gz HGBMBZMIFINYSI-HZPDHXFCSA-N 1 0 398.345 2.997 20 0 GFADRO O=C(/C=C\c1ccc(Br)o1)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000854333823 661924760 /nfs/dbraw/zinc/92/47/60/661924760.db2.gz VMPVKDXTOHMDNS-SDQPKGBYSA-N 1 0 383.286 2.769 20 0 GFADRO C[NH+]1CCC2(CCN(C(=O)[C@@]3(C)CC3(Br)Br)C2)CC1 ZINC000854500862 661937425 /nfs/dbraw/zinc/93/74/25/661937425.db2.gz VKAJBJJISCNQHC-GFCCVEGCSA-N 1 0 394.151 2.827 20 0 GFADRO COc1ccc(CCC(=O)N2C[C@@H]3CC[N@H+](C)C[C@@H]3C2)c(Br)c1 ZINC000854529201 661938600 /nfs/dbraw/zinc/93/86/00/661938600.db2.gz UAKPHZIKAFKPFU-LSDHHAIUSA-N 1 0 381.314 2.800 20 0 GFADRO C[C@H]1COCC[N@@H+]1C1CCN(C(=O)/C=C\c2ccc(Br)o2)CC1 ZINC000854569569 661940063 /nfs/dbraw/zinc/94/00/63/661940063.db2.gz WUDQCJGIBRLIOV-DXTPNHAXSA-N 1 0 383.286 2.767 20 0 GFADRO C[C@@H]1COCC[N@@H+]1C1CCN(C(=O)[C@H](O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000854569246 661940120 /nfs/dbraw/zinc/94/01/20/661940120.db2.gz IYCXLFPEUAFARI-SJKOYZFVSA-N 1 0 387.307 2.739 20 0 GFADRO C[C@@H]1COCC[N@@H+]1C1CCN(C(=O)/C=C/c2ccc(Br)o2)CC1 ZINC000854569572 661940150 /nfs/dbraw/zinc/94/01/50/661940150.db2.gz WUDQCJGIBRLIOV-MASHWEEQSA-N 1 0 383.286 2.767 20 0 GFADRO O=C(NCc1cc(Br)no1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000854707159 661949420 /nfs/dbraw/zinc/94/94/20/661949420.db2.gz HJOCXHLVYWWPDD-AWEZNQCLSA-N 1 0 378.270 2.966 20 0 GFADRO Cc1nc(SCC(C)C)sc1CC(=O)NC[C@@H]1CCCC[N@@H+]1CCO ZINC000854742200 661952683 /nfs/dbraw/zinc/95/26/83/661952683.db2.gz APLMSTGCTCMEHV-HNNXBMFYSA-N 1 0 385.599 2.705 20 0 GFADRO CC[C@H](C)[NH+]1CCN(C(=O)[C@]2(C)CC2(Br)Br)CC1 ZINC000854850911 661957139 /nfs/dbraw/zinc/95/71/39/661957139.db2.gz PDFFPIDZWFMQGX-JQWIXIFHSA-N 1 0 382.140 2.825 20 0 GFADRO C[NH+]1CCC2(CC1)CN(C(=O)c1cc(Cl)nc(C(F)(F)F)c1)CCO2 ZINC000855010142 661965550 /nfs/dbraw/zinc/96/55/50/661965550.db2.gz LIYPZNRRQYAGQN-UHFFFAOYSA-N 1 0 377.794 2.691 20 0 GFADRO CCN(C(=O)/C=C\c1cc(Br)c(O)c(OC)c1)[C@H]1CC[N@H+](C)C1 ZINC000855362545 661988335 /nfs/dbraw/zinc/98/83/35/661988335.db2.gz OCJUJMQVMKTALD-SZZPACECSA-N 1 0 383.286 2.729 20 0 GFADRO Cn1nc(C(=O)N2CC[C@@H]([N@H+](C)CCc3ccccc3)C2)cc1Br ZINC000855734166 662005758 /nfs/dbraw/zinc/00/57/58/662005758.db2.gz WVSYZCPCRHQUQW-OAHLLOKOSA-N 1 0 391.313 2.572 20 0 GFADRO COc1cc(C[NH2+]CC[C@@H]2CC2(Cl)Cl)cc(Cl)c1OCC(N)=O ZINC000856808348 662044879 /nfs/dbraw/zinc/04/48/79/662044879.db2.gz YSWVKAUMSWKKJT-SNVBAGLBSA-N 1 0 381.687 2.886 20 0 GFADRO CC(C)[NH+]1CCC(N2CCN(C(=O)NCC[C@H]3CC3(Cl)Cl)CC2)CC1 ZINC000856890110 662050008 /nfs/dbraw/zinc/05/00/08/662050008.db2.gz RODJJPHWKUNGRT-HNNXBMFYSA-N 1 0 391.387 2.770 20 0 GFADRO O=C(NCC[C@H]1CC1(Cl)Cl)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000856896122 662050621 /nfs/dbraw/zinc/05/06/21/662050621.db2.gz RICLADGERPCRDC-HNNXBMFYSA-N 1 0 378.344 2.714 20 0 GFADRO O=C(NC[C@H]1[NH2+]CCc2ccccc21)c1cc2c(cc1Br)OCO2 ZINC000857004267 662057810 /nfs/dbraw/zinc/05/78/10/662057810.db2.gz PGFSSUIYIBRJBC-OAHLLOKOSA-N 1 0 389.249 2.795 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)CCN1C(=S)N=NC1c1cccs1 ZINC000857303388 662072666 /nfs/dbraw/zinc/07/26/66/662072666.db2.gz SBWFESOAOWUEAO-GFCCVEGCSA-N 1 0 379.555 2.674 20 0 GFADRO C[NH+](C)[C@H]1CCc2cc(Br)ccc2N(C(=O)c2ncccn2)C1 ZINC000857880058 662093093 /nfs/dbraw/zinc/09/30/93/662093093.db2.gz AWNPYAAGBRJUSE-AWEZNQCLSA-N 1 0 375.270 2.762 20 0 GFADRO CCOCCOCC(=O)N1C[C@H]([NH+](C)C)CCc2cc(Br)ccc21 ZINC000857883384 662093829 /nfs/dbraw/zinc/09/38/29/662093829.db2.gz RWXFKJSXCLLGMX-MRXNPFEDSA-N 1 0 399.329 2.712 20 0 GFADRO Cn1nc(C(=O)N2C[C@@H]([NH+](C)C)CCc3ccccc32)cc1Br ZINC000857925190 662094790 /nfs/dbraw/zinc/09/47/90/662094790.db2.gz IAHFKCBCRNNZDN-ZDUSSCGKSA-N 1 0 377.286 2.706 20 0 GFADRO COCO[C@@H](C)c1cc(F)c(C[NH2+][C@@H]2CC(=O)N(C)C2)cc1Br ZINC000858120039 662099744 /nfs/dbraw/zinc/09/97/44/662099744.db2.gz WSRCJRFAEGBOHT-CMPLNLGQSA-N 1 0 389.265 2.590 20 0 GFADRO Brc1ccc(-c2n[nH]cc2CNC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)s1 ZINC000858127372 662099975 /nfs/dbraw/zinc/09/99/75/662099975.db2.gz ZBAGJPVQDMYHGU-OLZOCXBDSA-N 1 0 397.342 2.854 20 0 GFADRO COc1ncc(Br)cc1C[NH2+]C1CCN(C(=O)c2ccco2)CC1 ZINC000858247914 662106088 /nfs/dbraw/zinc/10/60/88/662106088.db2.gz OXRWOACPUPSPGA-UHFFFAOYSA-N 1 0 394.269 2.840 20 0 GFADRO COCO[C@@H](C)c1cc(F)c(C[NH2+][C@H]2C[C@H](C(N)=O)C2)cc1Br ZINC000858246998 662106205 /nfs/dbraw/zinc/10/62/05/662106205.db2.gz MTJJWCZESJPGQL-NHCYSSNCSA-N 1 0 389.265 2.623 20 0 GFADRO CC[C@@H]([NH2+][C@H]1CC=C(C(=O)OC)C1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000858475291 662112935 /nfs/dbraw/zinc/11/29/35/662112935.db2.gz XYKGXQVNKMMMGU-DZGCQCFKSA-N 1 0 386.901 2.551 20 0 GFADRO CC[C@H]([NH2+][C@H]1CC=C(C(=O)OC)C1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000858475295 662112990 /nfs/dbraw/zinc/11/29/90/662112990.db2.gz XYKGXQVNKMMMGU-ZFWWWQNUSA-N 1 0 386.901 2.551 20 0 GFADRO CC(=O)N(C)c1ccc(C[NH2+][C@H](C)Cn2cc(Br)ccc2=O)cc1 ZINC000858498226 662113675 /nfs/dbraw/zinc/11/36/75/662113675.db2.gz MFMKYQWBVNXQQE-CYBMUJFWSA-N 1 0 392.297 2.772 20 0 GFADRO O=S(=O)(/C=C\c1ccccc1Cl)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000858644569 662117850 /nfs/dbraw/zinc/11/78/50/662117850.db2.gz WVHHQCKWLNOJEA-SAYIFAPPSA-N 1 0 384.929 2.731 20 0 GFADRO Cn1nc(Cl)c(C(=O)Nc2cccc(CN3CC[NH+](C)CC3)c2)c1Cl ZINC000858755222 662121610 /nfs/dbraw/zinc/12/16/10/662121610.db2.gz BXKLPEMKHBHRTN-UHFFFAOYSA-N 1 0 382.295 2.727 20 0 GFADRO Cc1ccnn1CC(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000858862747 662125099 /nfs/dbraw/zinc/12/50/99/662125099.db2.gz QNCLYCXULSGYFH-UHFFFAOYSA-N 1 0 379.302 2.544 20 0 GFADRO O=C(NC[C@H](O)c1cccc(Br)c1)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000858872199 662125433 /nfs/dbraw/zinc/12/54/33/662125433.db2.gz RBCBSKKFAOPVPB-SJORKVTESA-N 1 0 396.329 2.799 20 0 GFADRO CC[NH+]1CCC(N(C)S(=O)(=O)c2ccc(NC(=O)OC)c(Cl)c2)CC1 ZINC000858889351 662126117 /nfs/dbraw/zinc/12/61/17/662126117.db2.gz GHAKLHFOVQCATO-UHFFFAOYSA-N 1 0 389.905 2.623 20 0 GFADRO CC[NH+](CC)C[C@H](C)NS(=O)(=O)c1ccc(NC(=O)OC)c(Cl)c1 ZINC000859120886 662138915 /nfs/dbraw/zinc/13/89/15/662138915.db2.gz LJIIEGNDKLWXPM-NSHDSACASA-N 1 0 377.894 2.527 20 0 GFADRO C[NH+]1CCC2(CC1)CN(C(=O)OCc1ccc(Br)cc1)CCO2 ZINC000859204344 662144699 /nfs/dbraw/zinc/14/46/99/662144699.db2.gz UGVFCWGFRHVGTQ-UHFFFAOYSA-N 1 0 383.286 2.882 20 0 GFADRO COC(=O)Nc1ccc(S(=O)(=O)N2CCCC[C@H]2C[NH+](C)C)cc1Cl ZINC000859226723 662146288 /nfs/dbraw/zinc/14/62/88/662146288.db2.gz QHDQCASFNJFRNI-LBPRGKRZSA-N 1 0 389.905 2.623 20 0 GFADRO COC(=O)[C@@H]1CC[N@@H+]([C@@H]2CCc3cc(Br)ccc3NC2=O)[C@H]1C ZINC000859272886 662149165 /nfs/dbraw/zinc/14/91/65/662149165.db2.gz XPXSVAOCBKUZFW-PSOPSSQASA-N 1 0 381.270 2.586 20 0 GFADRO Cc1ccccc1SC[C@H](C)C[N@@H+]1CCCN(S(=O)(=O)N(C)C)CC1 ZINC000859309154 662152256 /nfs/dbraw/zinc/15/22/56/662152256.db2.gz FUYOWPMWQVGXNG-MRXNPFEDSA-N 1 0 385.599 2.537 20 0 GFADRO C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H](Sc3ccc(Br)cc3)C2)CCO1 ZINC000859441867 662163222 /nfs/dbraw/zinc/16/32/22/662163222.db2.gz SDTBCXZHBWTIDJ-CZUORRHYSA-N 1 0 399.354 2.863 20 0 GFADRO O=C(Nc1ncc(C(F)(F)F)s1)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000859683322 662172295 /nfs/dbraw/zinc/17/22/95/662172295.db2.gz YPHAVKADJNYEPQ-LLVKDONJSA-N 1 0 378.420 2.784 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)Nc2ccnc(Br)c2)CC[C@@H]1C(F)(F)F ZINC000859691878 662172783 /nfs/dbraw/zinc/17/27/83/662172783.db2.gz SGXIIKZUZCWOBO-WPRPVWTQSA-N 1 0 381.196 2.835 20 0 GFADRO O=c1ccc([C@@H]2OCC[C@H]2[NH2+]C[C@H](O)c2cccc(Br)c2)c[nH]1 ZINC000859877412 662177461 /nfs/dbraw/zinc/17/74/61/662177461.db2.gz VRTCZPRAJRJAGH-VYDXJSESSA-N 1 0 379.254 2.703 20 0 GFADRO C[C@@H](NCC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)c1ccns1 ZINC000860057461 662185360 /nfs/dbraw/zinc/18/53/60/662185360.db2.gz SUGRZFKJURHFCS-CQSZACIVSA-N 1 0 376.551 2.981 20 0 GFADRO CC[NH+](CC)CCNC(=O)c1ccc(OC(=O)[C@@H]2C[C@]2(C)Br)cc1 ZINC000860551702 662205253 /nfs/dbraw/zinc/20/52/53/662205253.db2.gz FRMKHWINCDQDSL-YJBOKZPZSA-N 1 0 397.313 2.837 20 0 GFADRO C[C@H]([NH3+])CN(C)C(=O)N[C@@H](C)CCc1ccc(I)cc1 ZINC000861629829 662252329 /nfs/dbraw/zinc/25/23/29/662252329.db2.gz ZGFGULDOVXHBFA-RYUDHWBXSA-N 1 0 389.281 2.601 20 0 GFADRO CC[NH+]1CCC(NC(=O)C(=O)Nc2cccc(SC(F)(F)F)c2)CC1 ZINC000861672720 662254532 /nfs/dbraw/zinc/25/45/32/662254532.db2.gz HXCFQQIIRLQFAR-UHFFFAOYSA-N 1 0 375.416 2.838 20 0 GFADRO CC(C)[C@H](CNC(=O)C(=O)N(C)C[C@H](C)[NH3+])Cc1ccc(Cl)cc1Cl ZINC000861731068 662256425 /nfs/dbraw/zinc/25/64/25/662256425.db2.gz PRKIIMDLCNMOQS-JSGCOSHPSA-N 1 0 388.339 2.730 20 0 GFADRO Cc1ccc(-n2nc(Br)cc2C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)cc1 ZINC000861910895 662263433 /nfs/dbraw/zinc/26/34/33/662263433.db2.gz CDMRYEFDESAXTR-HALDLXJZSA-N 1 0 389.297 2.575 20 0 GFADRO Cc1cc(C[N@@H+](C)C2CCN(S(C)(=O)=O)CC2)c(Br)cc1F ZINC000862252887 662277833 /nfs/dbraw/zinc/27/78/33/662277833.db2.gz IIAAODCZRRSFSU-UHFFFAOYSA-N 1 0 393.322 2.752 20 0 GFADRO CCOC(=O)c1cccc(C[NH2+]C[C@@H](O)c2ccccc2Br)n1 ZINC000862391915 662284770 /nfs/dbraw/zinc/28/47/70/662284770.db2.gz WTRJWZOSRUWEEH-MRXNPFEDSA-N 1 0 379.254 2.844 20 0 GFADRO C[NH+](C)[C@H]1C[C@@H](NC(=O)c2cc3c(cc2Br)OCO3)C12CCC2 ZINC000864070354 662353502 /nfs/dbraw/zinc/35/35/02/662353502.db2.gz PUKQTFDMPMNTKV-CABCVRRESA-N 1 0 381.270 2.780 20 0 GFADRO C[NH+](C)C(C)(C)CNC(=O)c1cc(Br)ncc1Br ZINC000864526089 662378676 /nfs/dbraw/zinc/37/86/76/662378676.db2.gz SBIOWFXXLUQOBR-UHFFFAOYSA-N 1 0 379.096 2.677 20 0 GFADRO CC[NH+]1CCN(CCCNC(=O)/C=C/c2ccsc2C(F)(F)F)CC1 ZINC000864865851 662389001 /nfs/dbraw/zinc/38/90/01/662389001.db2.gz JQXZGJICAOLZBD-SNAWJCMRSA-N 1 0 375.460 2.924 20 0 GFADRO COc1ncc(Br)cc1C[NH2+]C[C@H]1CCN(CC(F)(F)F)C1 ZINC000865417845 662420199 /nfs/dbraw/zinc/42/01/99/662420199.db2.gz VUSQOENQDPBAPI-SNVBAGLBSA-N 1 0 382.224 2.827 20 0 GFADRO Fc1ccc(Br)cc1CC[NH2+]Cc1cn(C[C@H]2CCCO2)nn1 ZINC000865431260 662421122 /nfs/dbraw/zinc/42/11/22/662421122.db2.gz ANAFJRRDHIGUKY-OAHLLOKOSA-N 1 0 383.265 2.691 20 0 GFADRO COCCNS(=O)(=O)c1ccc(C[NH2+]Cc2cccc(Cl)c2C)cc1 ZINC000865434051 662421517 /nfs/dbraw/zinc/42/15/17/662421517.db2.gz UZVSUJMCOVGWIQ-UHFFFAOYSA-N 1 0 382.913 2.863 20 0 GFADRO O[C@]1(CNCc2cccnc2Br)CC[N@H+](Cc2ccccc2)C1 ZINC000865472820 662423649 /nfs/dbraw/zinc/42/36/49/662423649.db2.gz FMISSXUYYHISQE-SFHVURJKSA-N 1 0 376.298 2.571 20 0 GFADRO C[C@@H](C[NH2+]Cc1cn(C[C@@H]2CCCO2)nn1)Oc1ccccc1Br ZINC000865482885 662424543 /nfs/dbraw/zinc/42/45/43/662424543.db2.gz AGYCIMPZUNGMOC-ZFWWWQNUSA-N 1 0 395.301 2.777 20 0 GFADRO C[C@@H](C[NH2+]Cc1cc2c(s1)CCN(C(=O)OC(C)(C)C)C2)S(C)(=O)=O ZINC000865510970 662425829 /nfs/dbraw/zinc/42/58/29/662425829.db2.gz YFKPQNWIGMZXKL-LBPRGKRZSA-N 1 0 388.555 2.564 20 0 GFADRO CC(C)(C)OC(=O)N[C@H](C[NH2+]CCn1cc(Br)cn1)CC(F)F ZINC000865566256 662429915 /nfs/dbraw/zinc/42/99/15/662429915.db2.gz HIWQXNDIJFDHPE-NSHDSACASA-N 1 0 397.264 2.784 20 0 GFADRO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+]Cc2cnc3c(cnn3C)c2)c1 ZINC000865601753 662431740 /nfs/dbraw/zinc/43/17/40/662431740.db2.gz BQVGEBRQRZZOQG-UHFFFAOYSA-N 1 0 378.885 2.705 20 0 GFADRO C[C@](CO)(Cc1ccc(Br)cc1)[NH2+]Cc1cc(C(N)=O)cs1 ZINC000865715471 662438661 /nfs/dbraw/zinc/43/86/61/662438661.db2.gz UBGYQMHSLCPLOU-MRXNPFEDSA-N 1 0 383.311 2.693 20 0 GFADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+][C@H]1C[C@H](SC)C1 ZINC000865733147 662440063 /nfs/dbraw/zinc/44/00/63/662440063.db2.gz FGICKSPYRVIFGE-LERXQTSPSA-N 1 0 387.343 2.946 20 0 GFADRO CC(C)(C)OC(=O)CN1CCC([NH2+]Cc2cncc(Br)c2)CC1 ZINC000865776866 662442986 /nfs/dbraw/zinc/44/29/86/662442986.db2.gz MJLJRADDLXPVSQ-UHFFFAOYSA-N 1 0 384.318 2.740 20 0 GFADRO CC[NH+]1CCN([C@@H](C)CNC(=O)/C=C\c2ccsc2C(F)(F)F)CC1 ZINC000865791488 662443755 /nfs/dbraw/zinc/44/37/55/662443755.db2.gz AWYHCPVQXIOVGI-ZFDPJTLLSA-N 1 0 375.460 2.922 20 0 GFADRO C/C(=C/c1ccc(Br)o1)C(=O)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000865799286 662444118 /nfs/dbraw/zinc/44/41/18/662444118.db2.gz NHVYIWBUQGLOKH-YPKPFQOOSA-N 1 0 398.345 2.930 20 0 GFADRO CC(C)(C[NH2+]Cc1cc(Br)c(Cl)s1)CS(N)(=O)=O ZINC000865814459 662445174 /nfs/dbraw/zinc/44/51/74/662445174.db2.gz VHQRRMNHYIAMPF-UHFFFAOYSA-N 1 0 375.741 2.568 20 0 GFADRO Brc1ccc2c(c1)[C@@H]1[C@H](C2)[C@@H]1[NH2+]Cc1cn(C[C@@H]2CCCO2)nn1 ZINC000865835682 662446583 /nfs/dbraw/zinc/44/65/83/662446583.db2.gz VWUKNAMSEIACAA-OWLYRPNTSA-N 1 0 389.297 2.648 20 0 GFADRO CC[C@H](C[C@H](C)O)[NH2+]Cc1cc(I)c(OC)c(OC)c1 ZINC000865873373 662448983 /nfs/dbraw/zinc/44/89/83/662448983.db2.gz XRFATWJINZHHKH-CMPLNLGQSA-N 1 0 393.265 2.948 20 0 GFADRO C[C@@H](CC(=O)Nc1cccnc1Cl)[NH2+]Cc1c(Br)cnn1C ZINC000866431077 662472638 /nfs/dbraw/zinc/47/26/38/662472638.db2.gz GZTFHQSBHAKVGL-VIFPVBQESA-N 1 0 386.681 2.738 20 0 GFADRO Brc1cccc2c1C[C@@H]([NH2+]C1CCN([C@H]3CCOC3)CC1)CO2 ZINC000866594736 662482954 /nfs/dbraw/zinc/48/29/54/662482954.db2.gz MGZDSVRRALAYLO-CABCVRRESA-N 1 0 381.314 2.596 20 0 GFADRO Cn1ncc(I)c1C[NH2+][C@@H]1CCc2ccccc2OC1 ZINC000866630989 662485581 /nfs/dbraw/zinc/48/55/81/662485581.db2.gz BCYXTUYRDLVKLU-GFCCVEGCSA-N 1 0 383.233 2.508 20 0 GFADRO C[NH+](C)CCOc1ccccc1CNS(=O)(=O)C[C@@]1(C)CC1(Cl)Cl ZINC000866672627 662488710 /nfs/dbraw/zinc/48/87/10/662488710.db2.gz PJIJVTLMWGOKHD-OAHLLOKOSA-N 1 0 395.352 2.630 20 0 GFADRO Brc1cccc(Cc2noc(CN3CCC[C@@H]4[NH2+]CC[C@H]43)n2)c1 ZINC000866726636 662492143 /nfs/dbraw/zinc/49/21/43/662492143.db2.gz YGYCDLOYFBVQAS-LSDHHAIUSA-N 1 0 377.286 2.749 20 0 GFADRO Cc1ccc(Br)c(CS(=O)(=O)NCc2ccc3c(c2)C[NH2+]C3)c1 ZINC000866761075 662495450 /nfs/dbraw/zinc/49/54/50/662495450.db2.gz QGFUELUVRZRUHK-UHFFFAOYSA-N 1 0 395.322 2.980 20 0 GFADRO O=S(=O)(c1oc2ccccc2c1Br)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000866762044 662495467 /nfs/dbraw/zinc/49/54/67/662495467.db2.gz HCEPXNMIZNMYDA-INIZCTEOSA-N 1 0 399.310 2.960 20 0 GFADRO O=S(=O)(c1oc2ccccc2c1Br)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000866767674 662496086 /nfs/dbraw/zinc/49/60/86/662496086.db2.gz FJYUHVLOBJAJBU-CMPLNLGQSA-N 1 0 385.283 2.568 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2S(=O)(=O)Cc2ccc(F)cc2Cl)C1 ZINC000866774770 662496863 /nfs/dbraw/zinc/49/68/63/662496863.db2.gz QMKKEEHHZLTBJJ-OIISXLGYSA-N 1 0 390.908 2.670 20 0 GFADRO [NH3+]C[C@@H]1CN(S(=O)(=O)Cc2ccc(F)cc2Cl)CC[C@H]1C(F)(F)F ZINC000866778945 662497749 /nfs/dbraw/zinc/49/77/49/662497749.db2.gz GEZQYKNFJDZHHF-ZYHUDNBSSA-N 1 0 388.814 2.768 20 0 GFADRO O=S(=O)(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cc(Cl)ccc1Br ZINC000866809954 662500706 /nfs/dbraw/zinc/50/07/06/662500706.db2.gz QVFSWUKJADLJCU-YHPBZONMSA-N 1 0 393.734 2.911 20 0 GFADRO CC(C)(C)[C@]1(C[NH3+])CCN(S(=O)(=O)c2cc3nc(Cl)ncc3s2)C1 ZINC000866814232 662501311 /nfs/dbraw/zinc/50/13/11/662501311.db2.gz NMDQWBZYSFADPX-HNNXBMFYSA-N 1 0 388.946 2.730 20 0 GFADRO CC(C)(C)[C@]1(C[NH3+])CCN(S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)C1 ZINC000866814546 662501423 /nfs/dbraw/zinc/50/14/23/662501423.db2.gz CZFTWNHVUDDWII-HNNXBMFYSA-N 1 0 386.386 2.768 20 0 GFADRO O=S(=O)(c1cc(Br)ccc1Cl)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000866827627 662502407 /nfs/dbraw/zinc/50/24/07/662502407.db2.gz QBMSKTMZVWUUKT-NWDGAFQWSA-N 1 0 379.707 2.618 20 0 GFADRO C[N@H+](CC1CC1)C[C@@H]1CCN(S(=O)(=O)c2cc(Cl)cnc2Cl)C1 ZINC000866904475 662507742 /nfs/dbraw/zinc/50/77/42/662507742.db2.gz RKYVZBVOJUFRJG-LBPRGKRZSA-N 1 0 378.325 2.741 20 0 GFADRO C[C@]1(CS(=O)(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CC1(Cl)Cl ZINC000866993538 662515169 /nfs/dbraw/zinc/51/51/69/662515169.db2.gz FHZFGQAZASOZMO-AEGPPILISA-N 1 0 381.369 2.849 20 0 GFADRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1S(=O)(=O)c1cc2nc(Cl)ncc2s1 ZINC000867261896 662536748 /nfs/dbraw/zinc/53/67/48/662536748.db2.gz ONBIHBOSMFIWFZ-MNOVXSKESA-N 1 0 386.930 2.592 20 0 GFADRO CSC1(CNS(=O)(=O)Cc2ccc(F)cc2Cl)CC[NH+](C)CC1 ZINC000867279801 662538358 /nfs/dbraw/zinc/53/83/58/662538358.db2.gz IFAQNIXXGVZMDO-UHFFFAOYSA-N 1 0 380.938 2.726 20 0 GFADRO C[NH+](C)C1(CS(=O)(=O)Oc2ccc3cccnc3c2Br)CC1 ZINC000867532483 662556782 /nfs/dbraw/zinc/55/67/82/662556782.db2.gz YMPNHXHFOMJICX-UHFFFAOYSA-N 1 0 385.283 2.800 20 0 GFADRO CCCCN(c1ccncc1)S(=O)(=O)c1ccc(CCNC(C)=O)s1 ZINC000867628125 662563947 /nfs/dbraw/zinc/56/39/47/662563947.db2.gz PTWYOCMACPHYOJ-UHFFFAOYSA-N 1 0 381.523 2.817 20 0 GFADRO C[N@@H+]1CCN(S(=O)(=O)c2cnc(Cl)c(Br)c2)CCC1(C)C ZINC000867680743 662567061 /nfs/dbraw/zinc/56/70/61/662567061.db2.gz FLBZJHKWIFRVIG-UHFFFAOYSA-N 1 0 396.738 2.602 20 0 GFADRO [NH3+][C@H]1CCCN(C(=O)c2c(F)ccc(I)c2Cl)C1 ZINC000867927130 662587684 /nfs/dbraw/zinc/58/76/84/662587684.db2.gz BUTCQGXDNKPUJA-ZETCQYMHSA-N 1 0 382.604 2.647 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)[C@@H]3[C@@H]4Cc5ccc(Br)cc5[C@@H]43)C[C@H]21 ZINC000867967419 662589820 /nfs/dbraw/zinc/58/98/20/662589820.db2.gz FFHHLULHMFDSAL-USFHYHJMSA-N 1 0 375.310 2.921 20 0 GFADRO [NH3+]CC[C@H](NC(=O)[C@@H]1[C@@H]2Cc3ccc(Br)cc3[C@@H]21)C(F)(F)F ZINC000867980535 662590512 /nfs/dbraw/zinc/59/05/12/662590512.db2.gz VVJZOMQVJHWJQH-MROQNXINSA-N 1 0 377.204 2.731 20 0 GFADRO [NH3+][C@@H]1C[C@H]1c1ccc(NC(=O)C(=O)NCc2sccc2Br)cc1 ZINC000868229540 662599122 /nfs/dbraw/zinc/59/91/22/662599122.db2.gz SBULHKFUXGGSHQ-WCQYABFASA-N 1 0 394.294 2.580 20 0 GFADRO CCC1([NH+]2CCCC2)CCN(C(=O)NCCn2cc(Br)cn2)CC1 ZINC000868601165 662611543 /nfs/dbraw/zinc/61/15/43/662611543.db2.gz BGWQUMXHPJEVEA-UHFFFAOYSA-N 1 0 398.349 2.696 20 0 GFADRO Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)Nc2cc(O)cc(Br)c2)cn1 ZINC000868730028 662616862 /nfs/dbraw/zinc/61/68/62/662616862.db2.gz GJOZAOHTBIUNNQ-JKSUJKDBSA-N 1 0 393.285 2.562 20 0 GFADRO O=C(NCc1ccc(Br)cn1)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000869117934 662630028 /nfs/dbraw/zinc/63/00/28/662630028.db2.gz QJERIRXMCGMBRS-QGZVFWFLSA-N 1 0 389.297 2.918 20 0 GFADRO Cc1nc(SCC(C)C)sc1CC(=O)N[C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC000869774958 662661289 /nfs/dbraw/zinc/66/12/89/662661289.db2.gz GNJQYATYFJDQAU-AWEZNQCLSA-N 1 0 385.599 2.704 20 0 GFADRO CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)c2c[nH]c3ccc(Br)cc23)C1 ZINC000869783808 662661962 /nfs/dbraw/zinc/66/19/62/662661962.db2.gz DNIKWVYOFQBLLU-LBPRGKRZSA-N 1 0 380.286 2.505 20 0 GFADRO C[NH+](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)OCc1ncc(Cl)cc1Cl ZINC000869832492 662663636 /nfs/dbraw/zinc/66/36/36/662663636.db2.gz SCCWHXQPUVZPOQ-LBPRGKRZSA-N 1 0 392.283 2.887 20 0 GFADRO O=C(CCC12CC(C1)C[NH2+]2)N1CCO[C@@H](c2ccccc2Br)C1 ZINC000870877178 662704332 /nfs/dbraw/zinc/70/43/32/662704332.db2.gz ICECFFORQATTHI-CRPOECCBSA-N 1 0 379.298 2.881 20 0 GFADRO [NH3+][C@@H](C(=O)Nc1cc(C2CCOCC2)[nH]n1)c1cccc(Br)c1 ZINC000870896818 662707240 /nfs/dbraw/zinc/70/72/40/662707240.db2.gz PQCIREUBILXGCC-OAHLLOKOSA-N 1 0 379.258 2.705 20 0 GFADRO COC(=O)C(C)(C)[C@H]1CCCN(C(=O)[C@H]([NH3+])c2cccc(Br)c2)C1 ZINC000870911927 662707901 /nfs/dbraw/zinc/70/79/01/662707901.db2.gz UBASJNMYMKDFPW-DZGCQCFKSA-N 1 0 397.313 2.887 20 0 GFADRO C[C@@H](NC(=O)[C@H]([NH3+])c1cccc(Br)c1)c1nnc2n1CCCCC2 ZINC000870916579 662708108 /nfs/dbraw/zinc/70/81/08/662708108.db2.gz HMUYTYFTLUGESY-IAQYHMDHSA-N 1 0 392.301 2.644 20 0 GFADRO [NH3+][C@H]1C[C@@H](CNC(=O)Cc2ccc(Br)c(Br)c2)C1 ZINC000870963967 662711643 /nfs/dbraw/zinc/71/16/43/662711643.db2.gz OZYAWUVGYPEKDN-AOOOYVTPSA-N 1 0 376.092 2.608 20 0 GFADRO O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cc(=O)[nH]c2ccc(Br)cc21 ZINC000870974477 662711861 /nfs/dbraw/zinc/71/18/61/662711861.db2.gz KPYKDSFRYAFEDF-LMKPVCQUSA-N 1 0 390.281 2.963 20 0 GFADRO CCO[C@@H]1C[C@]([NH3+])(C(=O)N[C@H](COC)c2cccc(Br)c2)C1(C)C ZINC000871009367 662712692 /nfs/dbraw/zinc/71/26/92/662712692.db2.gz OSQZVOBOKDICOV-RKVPGOIHSA-N 1 0 399.329 2.785 20 0 GFADRO COC(=O)[C@H](c1ccc(Br)s1)N(C)C(=O)CCCC[NH+](C)C ZINC000871395759 662721297 /nfs/dbraw/zinc/72/12/97/662721297.db2.gz BPZOLGDRVDLPNP-AWEZNQCLSA-N 1 0 391.331 2.915 20 0 GFADRO [NH3+]C[C@H]1CN(S(=O)(=O)c2c(Cl)cc(F)cc2Cl)C[C@@H]1C(F)(F)F ZINC000871812908 662735101 /nfs/dbraw/zinc/73/51/01/662735101.db2.gz DPQUUNRFMJGQCO-XPUUQOCRSA-N 1 0 395.205 2.890 20 0 GFADRO [NH3+]C[C@H]1CN(S(=O)(=O)c2ccc(Cl)cc2Cl)C[C@H]1C(F)(F)F ZINC000871813984 662735332 /nfs/dbraw/zinc/73/53/32/662735332.db2.gz NFMPSKZCSYOAIY-IONNQARKSA-N 1 0 377.215 2.751 20 0 GFADRO CC(C)(C)[S@](C)(=O)=NS(=O)(=O)N1CCC[C@@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000871822862 662736029 /nfs/dbraw/zinc/73/60/29/662736029.db2.gz ODPUNCIRKMLNQJ-RLZCXYDISA-N 1 0 393.619 2.747 20 0 GFADRO CC(C)S(=O)(=O)CC[NH2+][C@H](c1cccc(Br)c1)[C@H]1CCOC1 ZINC000872072796 662755280 /nfs/dbraw/zinc/75/52/80/662755280.db2.gz KAQQWLRCWDZUDK-GOEBONIOSA-N 1 0 390.343 2.940 20 0 GFADRO CC(C)(O)CN1CC[C@H]([NH2+][C@H](c2cccc(Br)c2)[C@H]2CCOC2)C1 ZINC000872090579 662755875 /nfs/dbraw/zinc/75/58/75/662755875.db2.gz CBQYDTGPQKFIHR-RYQLBKOJSA-N 1 0 397.357 2.962 20 0 GFADRO COc1ccc(Cl)cc1NC(=O)CCN1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000872147755 662756582 /nfs/dbraw/zinc/75/65/82/662756582.db2.gz DKMDWAVNIBSONG-JQWIXIFHSA-N 1 0 379.810 2.746 20 0 GFADRO OCC1([C@@H]([NH2+]C[C@@H](O)c2ccc(Br)cc2)[C@H]2CCCO2)CCC1 ZINC000872215524 662758187 /nfs/dbraw/zinc/75/81/87/662758187.db2.gz CXSKQSUHSUUWSK-ZACQAIPSSA-N 1 0 384.314 2.782 20 0 GFADRO O[C@@H](C[NH2+]C[C@@H]1CC2(CO1)CCOCC2)COc1cc(Cl)cc(Cl)c1 ZINC000872228621 662758296 /nfs/dbraw/zinc/75/82/96/662758296.db2.gz HSTDVFXGGCQALL-RDJZCZTQSA-N 1 0 390.307 2.908 20 0 GFADRO O=C(CC[NH2+]C[C@H]1CC2(CO1)CCOCC2)Nc1cccc(Br)c1 ZINC000872230663 662758437 /nfs/dbraw/zinc/75/84/37/662758437.db2.gz HCKWHEBTQPCQJI-MRXNPFEDSA-N 1 0 397.313 2.953 20 0 GFADRO CC(C)(C)OC(=O)N1CCC([C@H](O)C[NH2+]Cc2ncc(Cl)s2)CC1 ZINC000872244504 662759239 /nfs/dbraw/zinc/75/92/39/662759239.db2.gz MEWSNQPMTGITQI-GFCCVEGCSA-N 1 0 375.922 2.894 20 0 GFADRO CCOC1CC2(C[C@H]2[NH2+]CCS(=O)(=O)c2cccc(Br)c2)C1 ZINC000872251193 662759376 /nfs/dbraw/zinc/75/93/76/662759376.db2.gz OZBULFRVUIUVCJ-OGVSOVDVSA-N 1 0 388.327 2.770 20 0 GFADRO CC(C)(C)[S@@](C)(=O)=NS(=O)(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000872431460 662765693 /nfs/dbraw/zinc/76/56/93/662765693.db2.gz CLDMWGHLGXWMFD-XMMPIXPASA-N 1 0 387.571 2.513 20 0 GFADRO CC(C)(C)[S@](C)(=O)=NS(=O)(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000872457614 662769007 /nfs/dbraw/zinc/76/90/07/662769007.db2.gz BAQJNDXGYYZSMJ-ITWBZBEWSA-N 1 0 379.592 2.514 20 0 GFADRO NC(=O)C1CCC([NH2+]Cc2cccc(F)c2I)CC1 ZINC000873049823 662797596 /nfs/dbraw/zinc/79/75/96/662797596.db2.gz MQYNEVYYQPYSCJ-UHFFFAOYSA-N 1 0 376.213 2.564 20 0 GFADRO COCCO[C@H]1COCC[C@@H]1[NH2+]Cc1c(Br)c2ccccc2n1C ZINC000873109494 662799972 /nfs/dbraw/zinc/79/99/72/662799972.db2.gz UNRHUBMUBHRRAD-YOEHRIQHSA-N 1 0 397.313 2.851 20 0 GFADRO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2cccnc2Br)cc1OC ZINC000873192530 662803681 /nfs/dbraw/zinc/80/36/81/662803681.db2.gz GOLBGFYDWQLFSF-SFHVURJKSA-N 1 0 395.297 2.945 20 0 GFADRO FC(F)(F)c1nnc(N2CCN(Cc3cc4c(s3)CC[NH2+]C4)CC2)s1 ZINC000873210658 662803898 /nfs/dbraw/zinc/80/38/98/662803898.db2.gz NPNXDOIZRKWKEU-UHFFFAOYSA-N 1 0 389.472 2.586 20 0 GFADRO [NH3+]C[C@@H]1CN(Cc2nc3ccccn3c2Br)C[C@H]1C(F)(F)F ZINC000873228535 662804256 /nfs/dbraw/zinc/80/42/56/662804256.db2.gz SYDYANYTHACCFJ-NXEZZACHSA-N 1 0 377.208 2.666 20 0 GFADRO COC(=O)c1cc(Cl)ccc1NC(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000873313580 662805232 /nfs/dbraw/zinc/80/52/32/662805232.db2.gz NJRAIKFXXAXMNW-KWQFWETISA-N 1 0 379.766 2.728 20 0 GFADRO COC(=O)c1cc(NC(=O)N[C@]23CCC[C@@H]2[NH2+]CC3)ccc1Br ZINC000873314325 662805270 /nfs/dbraw/zinc/80/52/70/662805270.db2.gz HPRDOUGVGVQGTL-BBRMVZONSA-N 1 0 382.258 2.642 20 0 GFADRO C[C@]12C[NH2+]C[C@H]1CN(C(=O)Nc1ccn(-c3ccc(Br)cc3)n1)C2 ZINC000873327467 662805560 /nfs/dbraw/zinc/80/55/60/662805560.db2.gz IHBVCIFMUKMVCY-YVEFUNNKSA-N 1 0 390.285 2.708 20 0 GFADRO Cc1c(Br)nccc1NC(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000873329515 662805655 /nfs/dbraw/zinc/80/56/55/662805655.db2.gz WOZDLFRXTDTMLE-BDAKNGLRSA-N 1 0 381.196 2.753 20 0 GFADRO CN(CCC[NH+](C)C)C(=O)C(=O)Nc1c(F)cc(Cl)cc1Br ZINC000873814511 662815157 /nfs/dbraw/zinc/81/51/57/662815157.db2.gz CCUKOCCVUHVRAX-UHFFFAOYSA-N 1 0 394.672 2.590 20 0 GFADRO Nc1cc(C(=O)N2CCC[N@H+](Cc3ccccc3)CC2)cc(Br)n1 ZINC000873876454 662816947 /nfs/dbraw/zinc/81/69/47/662816947.db2.gz XQJDPZSIYBUGBN-UHFFFAOYSA-N 1 0 389.297 2.774 20 0 GFADRO C[NH+](C)CCOc1cccc(NC(=O)c2cc(N)nc(Br)c2)c1 ZINC000874258795 662826830 /nfs/dbraw/zinc/82/68/30/662826830.db2.gz SMEXIZUGMCSBOD-UHFFFAOYSA-N 1 0 379.258 2.619 20 0 GFADRO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)/C=C/c1ccc(I)o1 ZINC000874821307 662837265 /nfs/dbraw/zinc/83/72/65/662837265.db2.gz OAGRGEKVVZQJOJ-MVTQWGDUSA-N 1 0 386.233 2.593 20 0 GFADRO C[N@@H+]1CCC[C@H]2[C@H]1CCN2C(=O)c1cnn(-c2ccccc2)c1Br ZINC000874834057 662837748 /nfs/dbraw/zinc/83/77/48/662837748.db2.gz OURLXIPPSXABQP-CVEARBPZSA-N 1 0 389.297 2.944 20 0 GFADRO CC(C)[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2C ZINC000874830665 662837873 /nfs/dbraw/zinc/83/78/73/662837873.db2.gz VGPHFTRICNRWBA-DVOMOZLQSA-N 1 0 383.945 2.851 20 0 GFADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)Nc2c(F)cccc2Br)cn1 ZINC000875427105 662845817 /nfs/dbraw/zinc/84/58/17/662845817.db2.gz VSGHFRITQNIYHO-STQMWFEESA-N 1 0 395.276 2.996 20 0 GFADRO C[NH+]1CCC(n2cc(NC(=O)NCCSCCC(F)(F)F)cn2)CC1 ZINC000876019006 662854825 /nfs/dbraw/zinc/85/48/25/662854825.db2.gz SSZPPJUMFWAWFX-UHFFFAOYSA-N 1 0 379.452 2.957 20 0 GFADRO COC[C@@H](NC(=O)N1CC[C@@H](C[NH+](C)C)C1)c1cccc(Br)c1 ZINC000876232539 662857561 /nfs/dbraw/zinc/85/75/61/662857561.db2.gz IOWATGPKWWVXIB-XJKSGUPXSA-N 1 0 384.318 2.730 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)/C=C/[C@H]1CCC[NH2+]C1 ZINC000876558290 662862852 /nfs/dbraw/zinc/86/28/52/662862852.db2.gz QJCPUGMKKZHOHS-LHRNQBEKSA-N 1 0 394.313 2.710 20 0 GFADRO Cc1cnn([C@H]2CCC[NH2+]C2)c1C(=O)NCc1ccc(Br)c(F)c1 ZINC000876626512 662863599 /nfs/dbraw/zinc/86/35/99/662863599.db2.gz BAOWVMBUUXHFSD-ZDUSSCGKSA-N 1 0 395.276 2.948 20 0 GFADRO COc1cccc(C[C@@H]([NH3+])C(=O)NC[C@H](O)c2c(Cl)cccc2Cl)c1 ZINC000876677835 662864609 /nfs/dbraw/zinc/86/46/09/662864609.db2.gz WCBYFFXHQLXDAY-CVEARBPZSA-N 1 0 383.275 2.722 20 0 GFADRO O=C(NC[C@H]1CCN(c2cccc(Br)c2)C1)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000876736770 662865605 /nfs/dbraw/zinc/86/56/05/662865605.db2.gz MWNQWKSYOMQTIQ-BJZITVGISA-N 1 0 392.341 2.924 20 0 GFADRO CCC(CC)(CNC(=O)OC(C)(C)C)C[N@H+](C)C[C@@H]1CCS(=O)(=O)C1 ZINC000876757128 662865925 /nfs/dbraw/zinc/86/59/25/662865925.db2.gz CUYGUOCCGCJHBS-HNNXBMFYSA-N 1 0 376.563 2.684 20 0 GFADRO O=C(/C=C\[C@@H]1CCC[NH2+]C1)N[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000876754936 662865938 /nfs/dbraw/zinc/86/59/38/662865938.db2.gz VCUFLDAVFXUZET-LIXCDGRBSA-N 1 0 378.314 2.700 20 0 GFADRO COC(=O)c1cc(NC(=O)/C=C/[C@@H]2CCC[NH2+]C2)cc(Br)c1F ZINC000876909744 662867875 /nfs/dbraw/zinc/86/78/75/662867875.db2.gz GWJNMOVMHPPTDR-YEZKRMTDSA-N 1 0 385.233 2.869 20 0 GFADRO C[C@H](C[C@H](C)[NH3+])NC(=O)c1c(F)ccc(I)c1Cl ZINC000876934279 662868356 /nfs/dbraw/zinc/86/83/56/662868356.db2.gz GGENLDDJJHMLGE-NKWVEPMBSA-N 1 0 384.620 2.939 20 0 GFADRO [NH3+]CCCCCCNC(=O)[C@H]1CCC(=O)N1Cc1ccc(Br)cc1 ZINC000876938065 662868362 /nfs/dbraw/zinc/86/83/62/662868362.db2.gz OASUQECDSOUHOK-MRXNPFEDSA-N 1 0 396.329 2.575 20 0 GFADRO CC(C)n1ncc(C(=O)N2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)c1Br ZINC000876944307 662868417 /nfs/dbraw/zinc/86/84/17/662868417.db2.gz KHLFTAQSOXVHQK-YDHLFZDLSA-N 1 0 399.333 2.585 20 0 GFADRO C[N@@H+]1CCC[C@@H](CNCc2cccc(S(N)(=O)=O)c2)[C@@H]1c1cccs1 ZINC000877055866 662870311 /nfs/dbraw/zinc/87/03/11/662870311.db2.gz WKXAFTOSDMDOAS-MAUKXSAKSA-N 1 0 379.551 2.568 20 0 GFADRO C[C@H](C[NH2+]CC1CCS(=O)(=O)CC1)Oc1ccc(Br)cc1 ZINC000877066058 662870454 /nfs/dbraw/zinc/87/04/54/662870454.db2.gz BOSYLJMEUYUEFR-GFCCVEGCSA-N 1 0 376.316 2.631 20 0 GFADRO Cn1cc(N2CCC[C@@H]([NH2+]Cc3nc(Cl)ccc3Br)C2)cn1 ZINC000877069958 662870761 /nfs/dbraw/zinc/87/07/61/662870761.db2.gz RKWAIVWOSRBLGY-LLVKDONJSA-N 1 0 384.709 2.990 20 0 GFADRO OC[C@@H](C[NH2+]Cc1ccc(Cl)nn1)Cc1ccc(OC(F)(F)F)cc1 ZINC000877091501 662870972 /nfs/dbraw/zinc/87/09/72/662870972.db2.gz JVAURGDHGKHPHL-GFCCVEGCSA-N 1 0 375.778 2.969 20 0 GFADRO CN1CC[C@H](C[NH2+]CC2CCS(=O)(=O)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000877129060 662871442 /nfs/dbraw/zinc/87/14/42/662871442.db2.gz HWKXELIXCZZOHH-CRAIPNDOSA-N 1 0 388.936 2.886 20 0 GFADRO CC(C)(C)n1ncc(C(=O)N2CCOc3ccc(C[NH3+])cc32)c1Br ZINC000877119743 662871484 /nfs/dbraw/zinc/87/14/84/662871484.db2.gz BIFJDRALECWPOW-UHFFFAOYSA-N 1 0 393.285 2.899 20 0 GFADRO CCn1nc(C)c(CN(C)C(=O)[C@@H]([NH3+])c2cccc(Br)c2)c1C ZINC000877131012 662871512 /nfs/dbraw/zinc/87/15/12/662871512.db2.gz RDAGMMORSACHLC-INIZCTEOSA-N 1 0 379.302 2.941 20 0 GFADRO Brc1cnc2c(C[NH2+][C@@H]3CC[C@H]4SCCS[C@H]34)cnn2c1 ZINC000877130091 662871533 /nfs/dbraw/zinc/87/15/33/662871533.db2.gz SYRDYPHUSZFZPL-JHJVBQTASA-N 1 0 385.356 2.961 20 0 GFADRO [NH3+]CC12CCC(CC1)N2C(=O)c1cnn(-c2cccc(Br)c2)c1 ZINC000877190008 662872058 /nfs/dbraw/zinc/87/20/58/662872058.db2.gz VIXVIVOCCJISLA-UHFFFAOYSA-N 1 0 375.270 2.731 20 0 GFADRO CCn1cc(Br)cc1C(=O)N1C[C@@H](c2ccc(OC)cc2)[C@H]([NH3+])C1 ZINC000877236782 662872426 /nfs/dbraw/zinc/87/24/26/662872426.db2.gz RSHGDBJPKUXYFC-JKSUJKDBSA-N 1 0 392.297 2.846 20 0 GFADRO O=C(c1ncc(Br)cc1Br)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000877277412 662872969 /nfs/dbraw/zinc/87/29/69/662872969.db2.gz MOJCHOQNXKWGPQ-QWRGUYRKSA-N 1 0 389.091 2.573 20 0 GFADRO O=C(c1[nH]nc(-c2ccccc2)c1Br)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000877283042 662873137 /nfs/dbraw/zinc/87/31/37/662873137.db2.gz UNUMDKVWYNLJPJ-STQMWFEESA-N 1 0 375.270 2.806 20 0 GFADRO O=C(c1ccc(-n2cc(Br)cn2)cc1)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000877285573 662873294 /nfs/dbraw/zinc/87/32/94/662873294.db2.gz VKZJIELTHREZBM-HZPDHXFCSA-N 1 0 375.270 2.601 20 0 GFADRO Cc1cc(Br)c(F)c(C(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)c1 ZINC000877327382 662873637 /nfs/dbraw/zinc/87/36/37/662873637.db2.gz RTNNPNWCYCBQAE-LBPRGKRZSA-N 1 0 385.277 2.785 20 0 GFADRO O=C(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)c1[nH]c2ccccc2c1Br ZINC000877328303 662873639 /nfs/dbraw/zinc/87/36/39/662873639.db2.gz IJNZYNCPNKBBBB-LBPRGKRZSA-N 1 0 392.297 2.819 20 0 GFADRO CN[C@@H](C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2)c1cccc(Cl)c1Cl ZINC000877329744 662873757 /nfs/dbraw/zinc/87/37/57/662873757.db2.gz XWCYFJIMPCVHKY-BLLLJJGKSA-N 1 0 386.323 2.529 20 0 GFADRO O=C(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)C1(c2cccc(Br)c2)CC1 ZINC000877336158 662873830 /nfs/dbraw/zinc/87/38/30/662873830.db2.gz KXNMSRAKNLKPFU-INIZCTEOSA-N 1 0 393.325 2.756 20 0 GFADRO O=C(CCc1cccc(Br)c1)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000877337007 662873959 /nfs/dbraw/zinc/87/39/59/662873959.db2.gz VSZBHBLHZSHZAP-MRXNPFEDSA-N 1 0 381.314 2.657 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)c2cc(Cl)nc(N3CCCC3)c2)C[C@@H]1C(F)(F)F ZINC000877357987 662874352 /nfs/dbraw/zinc/87/43/52/662874352.db2.gz AOQVLHRHFHYIHG-NEPJUHHUSA-N 1 0 376.810 2.544 20 0 GFADRO COc1cc(C(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)sc1Br ZINC000877359037 662874435 /nfs/dbraw/zinc/87/44/35/662874435.db2.gz FXTYKMNVHCNNMA-RNFRBKRXSA-N 1 0 387.221 2.728 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)c2sc(N3CCCC3)nc2Cl)C[C@@H]1C(F)(F)F ZINC000877363385 662874610 /nfs/dbraw/zinc/87/46/10/662874610.db2.gz DETJFLDVNXMXNT-BDAKNGLRSA-N 1 0 382.839 2.606 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)c2c(F)cc(Br)cc2F)C[C@H]1C(F)(F)F ZINC000877367340 662874840 /nfs/dbraw/zinc/87/48/40/662874840.db2.gz LPYROPIKKQUASD-POYBYMJQSA-N 1 0 387.146 2.937 20 0 GFADRO COc1ccc(C(=O)N2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)cc1Br ZINC000877368139 662874855 /nfs/dbraw/zinc/87/48/55/662874855.db2.gz HGVPPNDGMPLFJG-VHSXEESVSA-N 1 0 381.192 2.667 20 0 GFADRO CCOc1c(Cl)cc(C(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)cc1OC ZINC000877369355 662874919 /nfs/dbraw/zinc/87/49/19/662874919.db2.gz YIUMCXMPYHKCBB-GHMZBOCLSA-N 1 0 380.794 2.957 20 0 GFADRO CN(CCCCCC[NH3+])C(=O)/C=C\c1ccc(I)o1 ZINC000877434705 662875889 /nfs/dbraw/zinc/87/58/89/662875889.db2.gz KJDNANLCOHIFJY-CLFYSBASSA-N 1 0 376.238 2.875 20 0 GFADRO Cn1ccnc1[C@H]1CCC[N@H+](Cc2cnn3cc(Br)cnc23)C1 ZINC000877481093 662876724 /nfs/dbraw/zinc/87/67/24/662876724.db2.gz UVOSSRVSFQUBGY-LBPRGKRZSA-N 1 0 375.274 2.605 20 0 GFADRO CC(C)(CNC(=O)OC(C)(C)C)C[NH2+]C1CCC(CS(C)(=O)=O)CC1 ZINC000877557079 662878747 /nfs/dbraw/zinc/87/87/47/662878747.db2.gz NHGVWRAZDWHWEF-UHFFFAOYSA-N 1 0 376.563 2.730 20 0 GFADRO Cc1sc(C[NH2+]CCS(=O)(=O)C2CCOCC2)cc1Br ZINC000877566920 662878973 /nfs/dbraw/zinc/87/89/73/662878973.db2.gz CHPJTNSJMQDWDB-UHFFFAOYSA-N 1 0 382.345 2.502 20 0 GFADRO CCO[P@@](C)(=O)CC[C@H](C)[NH2+]Cc1nn(C)cc1I ZINC000877573879 662879146 /nfs/dbraw/zinc/87/91/46/662879146.db2.gz WPMUBEZAAKYVNN-APBUJDDRSA-N 1 0 399.213 2.837 20 0 GFADRO Clc1ccc2sc(C[NH2+]CC3(N4CCOCC4)CCOCC3)cc2n1 ZINC000877583458 662879408 /nfs/dbraw/zinc/87/94/08/662879408.db2.gz HLZUQLAUNMJVOW-UHFFFAOYSA-N 1 0 381.929 2.921 20 0 GFADRO COC(=O)c1ccc(C[NH2+]C2CCN([C@H]3CCOC3)CC2)cc1Br ZINC000877636314 662880481 /nfs/dbraw/zinc/88/04/81/662880481.db2.gz SXNOATGXKOHNAP-HNNXBMFYSA-N 1 0 397.313 2.579 20 0 GFADRO CCOc1cc(C[NH+]2CCC3(CCNC3=O)CC2)cc(Br)c1O ZINC000877782246 662883547 /nfs/dbraw/zinc/88/35/47/662883547.db2.gz OYPKFJZRAWWYLV-UHFFFAOYSA-N 1 0 383.286 2.656 20 0 GFADRO Cn1nc(C(F)(F)F)c(C[NH2+]CC2C[C@H]3CC[C@@H](C2)S3(=O)=O)c1Cl ZINC000877808392 662884650 /nfs/dbraw/zinc/88/46/50/662884650.db2.gz KUYXOHHSNLVIRD-PBINXNQUSA-N 1 0 385.839 2.538 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(C(=O)Nc3cccc(I)c3)CC[C@@H]21 ZINC000877940726 662886527 /nfs/dbraw/zinc/88/65/27/662886527.db2.gz VAWDKOPCZOXVQL-RISCZKNCSA-N 1 0 385.249 2.849 20 0 GFADRO C[N@H+](C[C@H](O)C[C@@H](O)c1ccccc1)[C@@H](CO)c1cccc(Br)c1 ZINC000878328087 662893902 /nfs/dbraw/zinc/89/39/02/662893902.db2.gz AIUFOYPDUTYTOC-CEXWTWQISA-N 1 0 394.309 2.899 20 0 GFADRO Cn1nnnc1CC[NH2+][C@H](CC(F)(F)F)c1ccc(Br)cc1 ZINC000878468128 662897051 /nfs/dbraw/zinc/89/70/51/662897051.db2.gz RUYSXEVBXMPKML-LLVKDONJSA-N 1 0 378.196 2.798 20 0 GFADRO CCS(=O)(=O)c1ccc([C@@H](C)[NH2+]CCCS(=O)(=O)C(C)(C)C)cc1 ZINC000878575634 662899250 /nfs/dbraw/zinc/89/92/50/662899250.db2.gz JGYLKCSTQKARRJ-CQSZACIVSA-N 1 0 375.556 2.734 20 0 GFADRO CC(=O)N[C@H](C(=O)N1CCC[C@H]([NH2+]C(C)C)C1)c1cccc(Br)c1 ZINC000878578195 662899348 /nfs/dbraw/zinc/89/93/48/662899348.db2.gz RVIQJWJIQUDCNC-IRXDYDNUSA-N 1 0 396.329 2.615 20 0 GFADRO CC(C)(C)S(=O)(=O)CCC[NH2+][C@@](C)(CO)c1ccc(Br)cc1 ZINC000878602777 662899976 /nfs/dbraw/zinc/89/99/76/662899976.db2.gz GADOHGGFGKTWIX-INIZCTEOSA-N 1 0 392.359 2.850 20 0 GFADRO C[C@@H]1CN(C[C@@H](O)c2cc(Br)no2)CC[N@H+](Cc2ccccc2)C1 ZINC000878682615 662902337 /nfs/dbraw/zinc/90/23/37/662902337.db2.gz POKCUPZULJZCBR-GOEBONIOSA-N 1 0 394.313 2.924 20 0 GFADRO C[N@H+](CCc1ccc(C(N)=O)cc1)C[C@@H](O)c1cccc(Br)c1 ZINC000878709600 662903252 /nfs/dbraw/zinc/90/32/52/662903252.db2.gz PFQQORBFKSMLRS-QGZVFWFLSA-N 1 0 377.282 2.756 20 0 GFADRO C[N@H+](C[C@H](O)C[C@H](O)c1ccccc1)C[C@@H](O)c1cccc(Br)c1 ZINC000878709912 662903330 /nfs/dbraw/zinc/90/33/30/662903330.db2.gz WRAZUTACCIBOJW-CEXWTWQISA-N 1 0 394.309 2.899 20 0 GFADRO Cn1ncc(Br)c1CC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000878718232 662903463 /nfs/dbraw/zinc/90/34/63/662903463.db2.gz RMEXLCKQCHFCAA-OAHLLOKOSA-N 1 0 397.361 2.840 20 0 GFADRO O[C@@H](C[N@@H+]1CC[C@@H](Oc2cncc(Br)c2)C1)c1ccc(F)cn1 ZINC000878876138 662908052 /nfs/dbraw/zinc/90/80/52/662908052.db2.gz SDSZNYRZZSXZJQ-CJNGLKHVSA-N 1 0 382.233 2.565 20 0 GFADRO CCCSc1nsc(NC(=O)N(C)CC[NH+]2CC3(C2)CCOCC3)n1 ZINC000878946039 662910600 /nfs/dbraw/zinc/91/06/00/662910600.db2.gz XCBSVAZTFDYSLM-UHFFFAOYSA-N 1 0 385.559 2.616 20 0 GFADRO COC(=O)c1cc(NC(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)ccc1Br ZINC000879107045 662917248 /nfs/dbraw/zinc/91/72/48/662917248.db2.gz RHCBBOMBXMRKQB-IAQYHMDHSA-N 1 0 396.285 2.794 20 0 GFADRO Cc1cnc(Br)cc1NC(=O)N1CCC([NH2+]C2CCOCC2)CC1 ZINC000879278391 662922334 /nfs/dbraw/zinc/92/23/34/662922334.db2.gz OSOSKNMIKQNNMC-UHFFFAOYSA-N 1 0 397.317 2.917 20 0 GFADRO CN1CC[NH+](C2CCN(C(=O)Nc3cc(Cl)c(N)c(Cl)c3)CC2)CC1 ZINC000879316324 662923092 /nfs/dbraw/zinc/92/30/92/662923092.db2.gz UAUQBZJSLXAYED-UHFFFAOYSA-N 1 0 386.327 2.819 20 0 GFADRO CN1CC[NH+](C2CCN(Cc3nc4ccc(Br)cc4o3)CC2)CC1 ZINC000879596716 662930205 /nfs/dbraw/zinc/93/02/05/662930205.db2.gz RBCDOVSGAJLFTL-UHFFFAOYSA-N 1 0 393.329 2.802 20 0 GFADRO COCC[N@H+](Cc1ccc(C(=O)OC)cc1Br)C1CCOCC1 ZINC000879710811 662937880 /nfs/dbraw/zinc/93/78/80/662937880.db2.gz MEBVHEISFWHAKB-UHFFFAOYSA-N 1 0 386.286 2.863 20 0 GFADRO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)Nc1csc(C(N)=O)c1 ZINC000879739123 662938370 /nfs/dbraw/zinc/93/83/70/662938370.db2.gz GYXUTEOGVNZJMY-UHFFFAOYSA-N 1 0 380.436 2.975 20 0 GFADRO Cc1ccc([C@@H](CNC(=O)Nc2cn(C)nc2Br)[NH+](C)C)cc1 ZINC000880044191 662946875 /nfs/dbraw/zinc/94/68/75/662946875.db2.gz WZNGGTACGGXWCC-CQSZACIVSA-N 1 0 380.290 2.915 20 0 GFADRO C[C@H]1[C@H](NC(=O)Nc2cn(C)nc2Br)CC[N@@H+]1Cc1ccccc1 ZINC000880061289 662949331 /nfs/dbraw/zinc/94/93/31/662949331.db2.gz ZMXPPVBKNHNQLF-GXTWGEPZSA-N 1 0 392.301 2.967 20 0 GFADRO Cc1nc2sccn2c(=O)c1CC[N@@H+]1CC[C@H](C(F)(F)F)O[C@@H](C)C1 ZINC000880067619 662950089 /nfs/dbraw/zinc/95/00/89/662950089.db2.gz VMNDIPFVQAVZRG-GXFFZTMASA-N 1 0 375.416 2.649 20 0 GFADRO CN(Cc1ccc(Cl)s1)C(=O)CN1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000880211254 662954767 /nfs/dbraw/zinc/95/47/67/662954767.db2.gz LNZQPWSLYJKMSS-OAHLLOKOSA-N 1 0 385.961 2.593 20 0 GFADRO C[C@H](c1ccccc1)[NH+]1CCN(C[C@@H](O)c2cc(Br)no2)CC1 ZINC000880251203 662956423 /nfs/dbraw/zinc/95/64/23/662956423.db2.gz JWZQFFMASZARJZ-UKRRQHHQSA-N 1 0 380.286 2.849 20 0 GFADRO O=C(c1cc(Br)ccc1C1CC1)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000880755360 662968512 /nfs/dbraw/zinc/96/85/12/662968512.db2.gz TYWCBFFKHNRBES-INIZCTEOSA-N 1 0 393.325 2.998 20 0 GFADRO CCc1cc2oc(=O)cc(Cn3cc(CSCC[NH3+])nn3)c2cc1Cl ZINC000881024221 662981161 /nfs/dbraw/zinc/98/11/61/662981161.db2.gz UWDQGPCCBZSSHP-UHFFFAOYSA-N 1 0 378.885 2.841 20 0 GFADRO C[NH+](C)CCOc1ccc(CNS(=O)(=O)CC[C@H]2CC2(Cl)Cl)cc1 ZINC000881795267 663003596 /nfs/dbraw/zinc/00/35/96/663003596.db2.gz FIDFFTJHWZJIBO-AWEZNQCLSA-N 1 0 395.352 2.630 20 0 GFADRO CC[N@@H+]1CCCC[C@H]1CNc1cnn(CC(F)(F)F)c(=O)c1Br ZINC000881963682 663011308 /nfs/dbraw/zinc/01/13/08/663011308.db2.gz DPPFFQCVSYZGDL-JTQLQIEISA-N 1 0 397.239 2.854 20 0 GFADRO C[NH+](C)CCc1ccc(CNS(=O)(=O)CC[C@H]2CC2(Cl)Cl)cc1 ZINC000882112330 663017127 /nfs/dbraw/zinc/01/71/27/663017127.db2.gz UVQAEMWSDCYGFA-HNNXBMFYSA-N 1 0 379.353 2.794 20 0 GFADRO CC[N@@H+]1CC[C@H]1CNC(=O)c1cnc2c(Cl)cc(Br)cc2c1O ZINC000882493234 663029075 /nfs/dbraw/zinc/02/90/75/663029075.db2.gz ZNXYCURBXXEDHT-JTQLQIEISA-N 1 0 398.688 2.768 20 0 GFADRO CC1([NH+]2CCC2)CCN(c2c(Br)cccc2S(C)(=O)=O)CC1 ZINC000882963184 663045437 /nfs/dbraw/zinc/04/54/37/663045437.db2.gz QWQNMIUHASMPOE-UHFFFAOYSA-N 1 0 387.343 2.917 20 0 GFADRO C[N@@H+]1CCCC[C@@H]1CCC(=O)Nc1cc(Br)cc2c1NC(=O)CO2 ZINC000883026786 663046981 /nfs/dbraw/zinc/04/69/81/663046981.db2.gz FMOMJVVXJKHHEQ-GFCCVEGCSA-N 1 0 396.285 2.983 20 0 GFADRO COC[C@H]([NH2+]C[C@@H](CO)Cc1ccccc1Br)[C@H]1CCCOC1 ZINC000883219552 663051555 /nfs/dbraw/zinc/05/15/55/663051555.db2.gz VITQCWNFNDVSOR-ZVZYQTTQSA-N 1 0 386.330 2.631 20 0 GFADRO CC(C)(C[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1)CC(F)F ZINC000883251053 663052011 /nfs/dbraw/zinc/05/20/11/663052011.db2.gz ADNMZXDMMZBKDS-UHFFFAOYSA-N 1 0 385.274 2.868 20 0 GFADRO C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+][C@H]1C[C@H](S(C)(=O)=O)C1 ZINC000883373612 663054232 /nfs/dbraw/zinc/05/42/32/663054232.db2.gz WCYYGVUQDCMQGC-IJLUTSLNSA-N 1 0 378.416 2.588 20 0 GFADRO Cc1ccc(NC(=O)CN(CCC[NH3+])CC(F)(F)F)c(Br)c1 ZINC000883443593 663055271 /nfs/dbraw/zinc/05/52/71/663055271.db2.gz YHTCIVWMFQECDE-UHFFFAOYSA-N 1 0 382.224 2.909 20 0 GFADRO CCC1([NH3+])CCN(C(=O)C(=O)Nc2cccc(Br)c2Cl)CC1 ZINC000883627101 663058242 /nfs/dbraw/zinc/05/82/42/663058242.db2.gz QYHSEXCBJLOCEB-UHFFFAOYSA-N 1 0 388.693 2.771 20 0 GFADRO CCC1([NH3+])CCN(C(=O)C(=O)Nc2ccc(Br)c(Cl)c2)CC1 ZINC000883627437 663058416 /nfs/dbraw/zinc/05/84/16/663058416.db2.gz BOZACIVZOINVIC-UHFFFAOYSA-N 1 0 388.693 2.771 20 0 GFADRO [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)c2sc3cccc(F)c3c2Cl)C1 ZINC000884020039 663063773 /nfs/dbraw/zinc/06/37/73/663063773.db2.gz LNAUNHTWFSHJFJ-JTQLQIEISA-N 1 0 383.876 2.621 20 0 GFADRO CN(C(=O)Cc1csc(-c2sccc2Br)n1)[C@@H]1CC[NH2+]C1 ZINC000884028521 663063971 /nfs/dbraw/zinc/06/39/71/663063971.db2.gz JDLJBWYTZVAKGW-SNVBAGLBSA-N 1 0 386.340 2.997 20 0 GFADRO [NH3+]C[C@@H]1CCN(C(=O)Cc2csc(-c3sccc3Br)n2)C1 ZINC000884020721 663064000 /nfs/dbraw/zinc/06/40/00/663064000.db2.gz HWELZCPCYRDWOT-VIFPVBQESA-N 1 0 386.340 2.984 20 0 GFADRO O=C(COCCc1ccc(Br)cc1)N1CCC([NH2+]CC2CC2)CC1 ZINC000884037950 663064131 /nfs/dbraw/zinc/06/41/31/663064131.db2.gz RZIPZHJGOUMTNH-UHFFFAOYSA-N 1 0 395.341 2.999 20 0 GFADRO CC(C)N(C)C(=O)C1CCN(C(=O)[C@H]([NH3+])c2ccc(Br)cc2)CC1 ZINC000884091918 663064860 /nfs/dbraw/zinc/06/48/60/663064860.db2.gz NYAZNDUWWDXVFK-MRXNPFEDSA-N 1 0 396.329 2.554 20 0 GFADRO CC1(C)C[NH2+]C[C@H]1C(=O)NCC1(c2cccc(Br)c2)CCOCC1 ZINC000884096105 663064918 /nfs/dbraw/zinc/06/49/18/663064918.db2.gz JOGLHNITRLLYBJ-INIZCTEOSA-N 1 0 395.341 2.859 20 0 GFADRO [NH3+][C@@H](CC1CC1)C(=O)N1CCC(C(=O)Nc2cccc(Br)c2)CC1 ZINC000884115417 663065479 /nfs/dbraw/zinc/06/54/79/663065479.db2.gz QYXSKSHIPGGQJA-INIZCTEOSA-N 1 0 394.313 2.754 20 0 GFADRO CCO[C@@H](C)c1noc(CN(C)C(=O)[C@H]([NH3+])c2ccc(Br)cc2)n1 ZINC000884160782 663066238 /nfs/dbraw/zinc/06/62/38/663066238.db2.gz OBGOAPHDYVXFHM-IINYFYTJSA-N 1 0 397.273 2.588 20 0 GFADRO [NH3+][C@@H](C(=O)N1CCN(c2ccccc2O)CC1)c1ccc(Br)cc1 ZINC000884175760 663066525 /nfs/dbraw/zinc/06/65/25/663066525.db2.gz GCSRENJDVSPJNI-QGZVFWFLSA-N 1 0 390.281 2.503 20 0 GFADRO [NH3+][C@H](C(=O)N1CCCN(c2nccs2)CC1)c1ccc(Br)cc1 ZINC000884200667 663066953 /nfs/dbraw/zinc/06/69/53/663066953.db2.gz HZJFXBUOSLCSGA-AWEZNQCLSA-N 1 0 395.326 2.644 20 0 GFADRO COCCN(Cc1cccnc1)C(=O)[C@@H]([NH3+])c1ccc(Br)cc1 ZINC000884309743 663068538 /nfs/dbraw/zinc/06/85/38/663068538.db2.gz DMZHYGWLDINWAW-INIZCTEOSA-N 1 0 378.270 2.519 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)N[C@H]1C[C@H]([NH3+])C1(C)C ZINC000884353977 663069452 /nfs/dbraw/zinc/06/94/52/663069452.db2.gz KAUCMUVVTLAFPG-KCXAZCMYSA-N 1 0 384.567 2.593 20 0 GFADRO [NH3+][C@@H](C(=O)N1CCSC2(CCOCC2)C1)c1ccc(Br)cc1 ZINC000884379965 663069801 /nfs/dbraw/zinc/06/98/01/663069801.db2.gz PAWWPGIHLJPJBW-CQSZACIVSA-N 1 0 385.327 2.574 20 0 GFADRO [NH3+][C@@H](C(=O)N1C[C@]23COC[C@@]2(C1)CCCC3)c1ccc(Br)cc1 ZINC000884420354 663070431 /nfs/dbraw/zinc/07/04/31/663070431.db2.gz QOMCHYLEPXPUHX-NXHRZFHOSA-N 1 0 379.298 2.868 20 0 GFADRO CC1(C)C[NH2+]CC[C@@H](NC(=O)C(=O)NCCc2ccc(Cl)cc2Cl)C1 ZINC000884667415 663073382 /nfs/dbraw/zinc/07/33/82/663073382.db2.gz JRTGZABGYJEEGG-CQSZACIVSA-N 1 0 386.323 2.547 20 0 GFADRO Cc1cc(Br)ccc1CS(=O)(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000885032315 663083329 /nfs/dbraw/zinc/08/33/29/663083329.db2.gz WCOUDOIUANNSQR-DOMZBBRYSA-N 1 0 375.332 2.660 20 0 GFADRO Cc1cc(Br)ccc1CS(=O)(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000885032317 663083412 /nfs/dbraw/zinc/08/34/12/663083412.db2.gz WCOUDOIUANNSQR-IUODEOHRSA-N 1 0 375.332 2.660 20 0 GFADRO O=C(CCOc1cccc(Br)c1)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000885858794 663099383 /nfs/dbraw/zinc/09/93/83/663099383.db2.gz RBESRWBDCRZNJL-MRXNPFEDSA-N 1 0 397.313 2.588 20 0 GFADRO O=S(=O)(C(F)F)N1CCC(C[NH2+][C@@H]2CCOC3(CCCCC3)C2)CC1 ZINC000885981428 663102410 /nfs/dbraw/zinc/10/24/10/663102410.db2.gz FOWVHLUOGCXTPO-OAHLLOKOSA-N 1 0 380.501 2.722 20 0 GFADRO COc1cc(C[NH2+]C[C@@H](O)Cc2ccccc2F)cc(Br)c1O ZINC000886231323 663105489 /nfs/dbraw/zinc/10/54/89/663105489.db2.gz BLJDZMHTNUYWDF-ZDUSSCGKSA-N 1 0 384.245 2.996 20 0 GFADRO CC(C)(C)OC(=O)NC[C@@H]1C[N@H+](C[C@](C)(O)C(F)F)C[C@@H]1C(F)(F)F ZINC000886314482 663108006 /nfs/dbraw/zinc/10/80/06/663108006.db2.gz ZNWJFGLYZJEHNL-BFVZDQMLSA-N 1 0 376.366 2.638 20 0 GFADRO C[C@@H]1C[C@@]2(CC[C@H](C[NH2+]Cc3cnc4ccc(Br)cn34)O2)CO1 ZINC000886332819 663108559 /nfs/dbraw/zinc/10/85/59/663108559.db2.gz ZFOYNKNYKAGLNV-VMGRFDJRSA-N 1 0 380.286 2.913 20 0 GFADRO COC[C@@H]([NH2+]Cc1cccc(F)c1I)[C@H]1CCCOC1 ZINC000886355734 663108842 /nfs/dbraw/zinc/10/88/42/663108842.db2.gz MYBCHDZCTWOOCH-GXTWGEPZSA-N 1 0 393.240 2.962 20 0 GFADRO COC(=O)c1cc2n(n1)CCC[C@H]2[NH2+]CCOc1ncc(Cl)cc1Cl ZINC000886551122 663113505 /nfs/dbraw/zinc/11/35/05/663113505.db2.gz BMDFEPGJQNZEBZ-GFCCVEGCSA-N 1 0 385.251 2.875 20 0 GFADRO COC(=O)c1cncc([C@@H](C)[NH2+]CCCCn2cc(Br)cn2)c1 ZINC000886602834 663114443 /nfs/dbraw/zinc/11/44/43/663114443.db2.gz AENAXIMXBFUIHT-GFCCVEGCSA-N 1 0 381.274 2.958 20 0 GFADRO NC(=O)c1ccsc1NC(=O)CC[N@@H+]1C[C@@H]2CCC[C@]2(C(F)(F)F)C1 ZINC000886614060 663114793 /nfs/dbraw/zinc/11/47/93/663114793.db2.gz MLUPGIDYTROQDR-BONVTDFDSA-N 1 0 375.416 2.840 20 0 GFADRO C[C@H]([NH2+][C@H](CO)C[C@@H]1CCCO1)c1ccccc1I ZINC000886666711 663115305 /nfs/dbraw/zinc/11/53/05/663115305.db2.gz YPRUITOJFJBOCM-AVGNSLFASA-N 1 0 375.250 2.872 20 0 GFADRO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@H](CO)C[C@H]1CCCO1 ZINC000886668235 663115462 /nfs/dbraw/zinc/11/54/62/663115462.db2.gz PDHWERAHINQHCU-UHOFOFEASA-N 1 0 385.302 2.686 20 0 GFADRO OC[C@]1(C(F)(F)F)CC[N@H+](C[C@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000886793588 663118949 /nfs/dbraw/zinc/11/89/49/663118949.db2.gz OWSCNJHHPIDQTM-FZMZJTMJSA-N 1 0 388.213 2.980 20 0 GFADRO Cc1cc(Br)ccc1CS(=O)(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000886886463 663123476 /nfs/dbraw/zinc/12/34/76/663123476.db2.gz HMZFKFDUABOXRU-OAHLLOKOSA-N 1 0 375.332 2.709 20 0 GFADRO O=S(=O)(c1cc(F)ccc1Br)N1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886901147 663124187 /nfs/dbraw/zinc/12/41/87/663124187.db2.gz QVIULRGINVQHBQ-OAHLLOKOSA-N 1 0 391.306 2.743 20 0 GFADRO O=S(=O)(c1c(F)c(F)c(F)c(F)c1F)N1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886901453 663124212 /nfs/dbraw/zinc/12/42/12/663124212.db2.gz ZWMSMFHQZCEWKF-HNNXBMFYSA-N 1 0 384.370 2.536 20 0 GFADRO O=S(=O)(c1c(F)c(F)c(F)c(F)c1F)N1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886901454 663124217 /nfs/dbraw/zinc/12/42/17/663124217.db2.gz ZWMSMFHQZCEWKF-OAHLLOKOSA-N 1 0 384.370 2.536 20 0 GFADRO COC[C@H]([NH2+]C[C@@H](O)COc1ccc(Cl)c(Cl)c1)[C@@H]1CCCOC1 ZINC000886905132 663124359 /nfs/dbraw/zinc/12/43/59/663124359.db2.gz AFDRPXIFJZUJIU-XNJGSVPQSA-N 1 0 378.296 2.764 20 0 GFADRO COC[C@H]([NH2+]Cc1nc2ccc(Br)cc2n1C)[C@H]1CCCOC1 ZINC000886915429 663124895 /nfs/dbraw/zinc/12/48/95/663124895.db2.gz DLVGVGOBLCMGQW-WFASDCNBSA-N 1 0 382.302 2.867 20 0 GFADRO COC[C@H]([NH2+][C@@H]1CCc2cc(Br)ccc2NC1=O)[C@@H]1CCCOC1 ZINC000886916708 663124911 /nfs/dbraw/zinc/12/49/11/663124911.db2.gz YUVBTGPFEPBWEO-XYPHTWIQSA-N 1 0 397.313 2.734 20 0 GFADRO COC[C@@H]([NH2+]Cc1ccc(C(=O)OC)cc1Br)[C@H]1CCCOC1 ZINC000886916316 663124935 /nfs/dbraw/zinc/12/49/35/663124935.db2.gz RZGBPSGDBSHEBK-GOEBONIOSA-N 1 0 386.286 2.767 20 0 GFADRO COC(=O)Cc1csc(NC(=O)N(CC[NH3+])Cc2cccc(Cl)c2)n1 ZINC000886926440 663125115 /nfs/dbraw/zinc/12/51/15/663125115.db2.gz NWUDLFWWIBGUTF-UHFFFAOYSA-N 1 0 382.873 2.505 20 0 GFADRO CCOC(=O)c1c(C)c(C)sc1NC(=O)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000886936992 663125300 /nfs/dbraw/zinc/12/53/00/663125300.db2.gz QTYLCKIMBYRRJT-NSHDSACASA-N 1 0 375.441 2.908 20 0 GFADRO COC(=O)c1cc(NC(=O)NC[C@@H]2C[NH2+]CCC2(F)F)cc(Cl)c1F ZINC000886949038 663126012 /nfs/dbraw/zinc/12/60/12/663126012.db2.gz XXMUAHBMYVIVQV-QMMMGPOBSA-N 1 0 379.766 2.632 20 0 GFADRO COc1ccc([C@H]2C[NH2+]CCN2C(=O)c2nc(Br)cs2)cc1 ZINC000887401919 663144345 /nfs/dbraw/zinc/14/43/45/663144345.db2.gz LEZLTHGKLIUWBQ-GFCCVEGCSA-N 1 0 382.283 2.701 20 0 GFADRO CC[NH+]1CCN(CCC(=O)NC[C@@H](C)c2ccc(Br)cc2)CC1 ZINC000887408273 663145104 /nfs/dbraw/zinc/14/51/04/663145104.db2.gz GUALTUTUDGAWJN-OAHLLOKOSA-N 1 0 382.346 2.696 20 0 GFADRO C[C@@H](c1ccc(F)c(Br)c1)n1cc(CN2CCC[C@@H]([NH3+])C2)nn1 ZINC000887419240 663145913 /nfs/dbraw/zinc/14/59/13/663145913.db2.gz HWVGBLRCEBJZDP-WCQYABFASA-N 1 0 382.281 2.712 20 0 GFADRO [NH3+][C@H]1CCCN(Cc2cn(Cc3ccc(Br)cc3Cl)nn2)C1 ZINC000887440893 663146684 /nfs/dbraw/zinc/14/66/84/663146684.db2.gz UOONQJQYYIPUNN-ZDUSSCGKSA-N 1 0 384.709 2.665 20 0 GFADRO C[NH+](C)CCOc1ccc(NC(=O)c2nn3c(c2Br)CCC3)cc1 ZINC000888281465 663185928 /nfs/dbraw/zinc/18/59/28/663185928.db2.gz YKMSLPOBHXPEEG-UHFFFAOYSA-N 1 0 393.285 2.785 20 0 GFADRO C[NH+]1CCC2(CCN2C(=O)[C@@H]2CCO[C@H]2c2cncc(Br)c2)CC1 ZINC000889221885 663237824 /nfs/dbraw/zinc/23/78/24/663237824.db2.gz WGHDJMJJBMCAQR-CVEARBPZSA-N 1 0 394.313 2.618 20 0 GFADRO CN(C(=O)c1cn(C)nc1Br)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000889317874 663241099 /nfs/dbraw/zinc/24/10/99/663241099.db2.gz BMFRLNSENXBGSH-OAHLLOKOSA-N 1 0 391.313 2.919 20 0 GFADRO O=C(c1cc(Br)ccc1C1CC1)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000889741825 663262099 /nfs/dbraw/zinc/26/20/99/663262099.db2.gz GCAKKFGPFMTDCZ-ROUUACIJSA-N 1 0 393.325 2.998 20 0 GFADRO Cc1sc(Br)c(C(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)c1C ZINC000889756565 663263631 /nfs/dbraw/zinc/26/36/31/663263631.db2.gz OMAPAWPRZVITSA-OLZOCXBDSA-N 1 0 387.343 2.799 20 0 GFADRO O=C(CCCc1ccccc1Br)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000889761529 663264555 /nfs/dbraw/zinc/26/45/55/663264555.db2.gz GSKJXVSMZYWEGC-MSOLQXFVSA-N 1 0 395.341 2.829 20 0 GFADRO CCS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC([NH2+]C3CCC3)CC2)c1 ZINC000889834038 663271008 /nfs/dbraw/zinc/27/10/08/663271008.db2.gz VDSBLFVJWSDIGS-UHFFFAOYSA-N 1 0 384.929 2.880 20 0 GFADRO CC1(C)CC[N@H+](CCNC(=O)c2c(F)cccc2I)C1 ZINC000890075486 663283578 /nfs/dbraw/zinc/28/35/78/663283578.db2.gz HXYMCXUTXXBBHX-UHFFFAOYSA-N 1 0 390.240 2.892 20 0 GFADRO COc1ccc(Br)c(CNC(=O)NC[C@H]2C[NH2+]CCC2(F)F)c1 ZINC000891390853 663338138 /nfs/dbraw/zinc/33/81/38/663338138.db2.gz MLFORVATUSTAGE-LLVKDONJSA-N 1 0 392.244 2.502 20 0 GFADRO C[C@H](NC(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2)c1ccc(Br)cc1 ZINC000891448886 663339757 /nfs/dbraw/zinc/33/97/57/663339757.db2.gz WXGZREFGMSQLPC-XJKSGUPXSA-N 1 0 396.329 2.968 20 0 GFADRO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)NCC1(c2ccc(Br)cc2)CCOCC1 ZINC000891478034 663340688 /nfs/dbraw/zinc/34/06/88/663340688.db2.gz HHBLPVYIMDYZTI-CZUORRHYSA-N 1 0 396.329 2.628 20 0 GFADRO COCCC1(NC(=O)N[C@H]2CCc3c2cccc3Br)CC[NH2+]CC1 ZINC000891503143 663341469 /nfs/dbraw/zinc/34/14/69/663341469.db2.gz YCYLPCJMHJATND-INIZCTEOSA-N 1 0 396.329 2.894 20 0 GFADRO O=C(NC[C@@H]1C[NH2+]CCC1(F)F)N[C@@H]1CCc2c1cccc2Br ZINC000891501321 663341678 /nfs/dbraw/zinc/34/16/78/663341678.db2.gz BPMPMSZHPOKPJT-IINYFYTJSA-N 1 0 388.256 2.980 20 0 GFADRO Nc1cc[nH+]c(CNC(=O)N[C@@H]2CCN(c3ccc(Br)cc3)C2)c1 ZINC000891506751 663341947 /nfs/dbraw/zinc/34/19/47/663341947.db2.gz LDMZZQGAEPLMJP-CQSZACIVSA-N 1 0 390.285 2.504 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)NCc2ccc(Br)cc2)C[C@@H]1C(F)(F)F ZINC000891527809 663342323 /nfs/dbraw/zinc/34/23/23/663342323.db2.gz LQKOQHZRRUXDHP-PWSUYJOCSA-N 1 0 380.208 2.728 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)NCc2ccc(Br)c(F)c2)C[C@@H]1C(F)(F)F ZINC000891542510 663343222 /nfs/dbraw/zinc/34/32/22/663343222.db2.gz GMJZJAFVJQFLLN-UWVGGRQHSA-N 1 0 398.198 2.867 20 0 GFADRO Cc1cccc(C)c1N(C[C@H](C)[NH+](C)C)C(=O)c1c(Br)nnn1C ZINC000891570488 663344171 /nfs/dbraw/zinc/34/41/71/663344171.db2.gz SMOLXXCSSKYINK-ZDUSSCGKSA-N 1 0 394.317 2.791 20 0 GFADRO CC(C)OCCCNC(=O)C1CC[NH+](C[C@@H]2C[C@]2(C)Br)CC1 ZINC000891614288 663345647 /nfs/dbraw/zinc/34/56/47/663345647.db2.gz LZOVLAMHXHRTGP-RDJZCZTQSA-N 1 0 375.351 2.803 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)NCc2cc(Cl)cc3c2OCC3)C[C@@H]1C(F)(F)F ZINC000891781537 663350260 /nfs/dbraw/zinc/35/02/60/663350260.db2.gz BEVJORHFPSDGGJ-YPMHNXCESA-N 1 0 377.794 2.554 20 0 GFADRO C[C@H](NC(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1)[C@@H]1OCCc2sccc21 ZINC000891914188 663355396 /nfs/dbraw/zinc/35/53/96/663355396.db2.gz FPMQEQYWGUUIIM-WRZDFSGXSA-N 1 0 377.432 2.529 20 0 GFADRO CC1(CNC(=O)N[C@@H]2[C@@H]3Cc4c(cccc4Br)[C@@H]32)CC[NH2+]CC1 ZINC000892054860 663360688 /nfs/dbraw/zinc/36/06/88/663360688.db2.gz WREQQJBVGCCJRH-VNQPRFMTSA-N 1 0 378.314 2.776 20 0 GFADRO C[C@](CO)(NC(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12)c1cccc(Br)c1 ZINC000892069349 663360969 /nfs/dbraw/zinc/36/09/69/663360969.db2.gz ITDXDLCJEAKPQT-LZLYRXPVSA-N 1 0 396.329 2.583 20 0 GFADRO CC(C)[N@H+](CCS(C)(=O)=O)C[C@@]1(C)CCCN(C(=O)OC(C)(C)C)C1 ZINC000892125503 663362695 /nfs/dbraw/zinc/36/26/95/663362695.db2.gz XPAWXTUXBUDCOT-GOSISDBHSA-N 1 0 376.563 2.779 20 0 GFADRO CC(=O)Nc1cc(Br)ccc1CN1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000892158633 663364026 /nfs/dbraw/zinc/36/40/26/663364026.db2.gz DFBWSXQIMBZKDH-HNNXBMFYSA-N 1 0 396.329 2.562 20 0 GFADRO CN(C[C@H](O)COc1cc(Cl)cc(Cl)c1)C(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000892170959 663364221 /nfs/dbraw/zinc/36/42/21/663364221.db2.gz UUMDDNJAXYRZGU-CQDKDKBSSA-N 1 0 390.311 2.502 20 0 GFADRO O=C(N[C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000892323830 663369378 /nfs/dbraw/zinc/36/93/78/663369378.db2.gz YBEKPAKUVMZGTR-LFFLFIJJSA-N 1 0 376.298 2.623 20 0 GFADRO CN(C[C@@H](O)c1ccccc1Br)C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000892435587 663373626 /nfs/dbraw/zinc/37/36/26/663373626.db2.gz BOLGCEZSCNIBRJ-XJKCOSOUSA-N 1 0 384.318 2.641 20 0 GFADRO CNC(=O)CN1CCC([NH2+]Cc2c(Br)ccc(Cl)c2F)CC1 ZINC000892561939 663377224 /nfs/dbraw/zinc/37/72/24/663377224.db2.gz VMJNXIQLDBCXMI-UHFFFAOYSA-N 1 0 392.700 2.542 20 0 GFADRO CCOC(=O)c1ncc(Br)c(N(C)CC[C@H]2CCCC[N@@H+]2C)n1 ZINC000892697297 663381986 /nfs/dbraw/zinc/38/19/86/663381986.db2.gz SEYRLWDJXSYNDW-GFCCVEGCSA-N 1 0 385.306 2.726 20 0 GFADRO CCOC(=O)c1ncc(Br)c(N2CC[C@H](C[N@H+](C)CC3CC3)C2)n1 ZINC000892763690 663383900 /nfs/dbraw/zinc/38/39/00/663383900.db2.gz PFHIMWDGYZPSFA-CYBMUJFWSA-N 1 0 397.317 2.584 20 0 GFADRO COc1ccccc1CC(=O)N1CCC([NH2+]C[C@H]2C[C@@]2(C)Br)CC1 ZINC000892846979 663386552 /nfs/dbraw/zinc/38/65/52/663386552.db2.gz LITWFAGQNSLPEY-DNVCBOLYSA-N 1 0 395.341 2.992 20 0 GFADRO CC(C)([NH3+])CCNC(=O)NCc1ccn(-c2ccc(Br)cc2)n1 ZINC000892845522 663386574 /nfs/dbraw/zinc/38/65/74/663386574.db2.gz GPSCOGZLBJMHPU-UHFFFAOYSA-N 1 0 380.290 2.561 20 0 GFADRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)NCc1ncc(Br)cn1 ZINC000892902642 663388865 /nfs/dbraw/zinc/38/88/65/663388865.db2.gz JGWYLJAVYBHPLQ-CQSZACIVSA-N 1 0 384.322 2.693 20 0 GFADRO CCC1([NH3+])CCN(C(=O)NC[C@H](CO)Cc2cccc(Br)c2)CC1 ZINC000892933643 663390319 /nfs/dbraw/zinc/39/03/19/663390319.db2.gz ZTCOREWUFKNWDZ-OAHLLOKOSA-N 1 0 398.345 2.513 20 0 GFADRO C[C@H]([NH2+]CCOc1ncc(C(F)(F)F)cc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000893020366 663393397 /nfs/dbraw/zinc/39/33/97/663393397.db2.gz IEECRJLCPUDQPV-VHSXEESVSA-N 1 0 386.823 2.545 20 0 GFADRO C[C@@H]([NH2+]CCOc1ncc(C(F)(F)F)cc1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000893020369 663393419 /nfs/dbraw/zinc/39/34/19/663393419.db2.gz IEECRJLCPUDQPV-ZJUUUORDSA-N 1 0 386.823 2.545 20 0 GFADRO CC(C)[NH+]1CCC(CCNC(=O)c2nn3c(c2Br)CCC3)CC1 ZINC000893147501 663398788 /nfs/dbraw/zinc/39/87/88/663398788.db2.gz GYKVKXVJISLITD-UHFFFAOYSA-N 1 0 383.334 2.832 20 0 GFADRO C[C@H](Cc1ccc(F)c(Br)c1)[NH2+][C@@H](C)[C@@H]1CCS(=O)(=O)C1 ZINC000893166472 663399791 /nfs/dbraw/zinc/39/97/91/663399791.db2.gz BGHMHJXJWICNCU-NTZNESFSSA-N 1 0 378.307 2.932 20 0 GFADRO O=S1(=O)CC[C@]2(C1)C[C@H]([NH2+]CCc1cc(Cl)cc(Cl)c1)CCO2 ZINC000893301984 663406173 /nfs/dbraw/zinc/40/61/73/663406173.db2.gz BTPJJRPELNTQSV-HZPDHXFCSA-N 1 0 378.321 2.862 20 0 GFADRO CC(=O)Nc1cc(Br)ccc1C[NH2+]CCN1CCOCC1(C)C ZINC000893341800 663407751 /nfs/dbraw/zinc/40/77/51/663407751.db2.gz BSTVXCITGKTYOV-UHFFFAOYSA-N 1 0 384.318 2.608 20 0 GFADRO C[C@]1(Br)C[C@@H]1C[NH2+]Cc1ccc(N2CCCS2(=O)=O)c(F)c1 ZINC000893679804 663419926 /nfs/dbraw/zinc/41/99/26/663419926.db2.gz BHVMUPWUANUGFQ-DOMZBBRYSA-N 1 0 391.306 2.629 20 0 GFADRO C[C@H](c1ccccc1)[C@@H](CO)[NH2+]Cc1sc(N2CCOCC2)nc1Cl ZINC000894259829 663451268 /nfs/dbraw/zinc/45/12/68/663451268.db2.gz YRENPFVMPNFDON-UKRRQHHQSA-N 1 0 381.929 2.887 20 0 GFADRO Cn1ncc(I)c1C[NH2+]CCCCC(=O)OC(C)(C)C ZINC000894372028 663458794 /nfs/dbraw/zinc/45/87/94/663458794.db2.gz IIWBMZFBKIWDKK-UHFFFAOYSA-N 1 0 393.269 2.626 20 0 GFADRO Cn1ncc(I)c1C[NH2+]CC1([C@@H](O)c2ccccc2)CC1 ZINC000894353623 663456584 /nfs/dbraw/zinc/45/65/84/663456584.db2.gz DDSGVDKMTZVHBJ-HNNXBMFYSA-N 1 0 397.260 2.628 20 0 GFADRO Cn1ncc(NC(=O)OC(C)(C)C)c1C[NH2+]CCn1cc(Br)cn1 ZINC000894426552 663461015 /nfs/dbraw/zinc/46/10/15/663461015.db2.gz RVTRXBNUVRVLGF-UHFFFAOYSA-N 1 0 399.293 2.516 20 0 GFADRO C[C@H](NCc1c(I)cnn1C)[C@@H](c1ccccc1)[NH+](C)C ZINC000894480431 663464207 /nfs/dbraw/zinc/46/42/07/663464207.db2.gz OBIJOSHJIYNBQF-LRDDRELGSA-N 1 0 398.292 2.806 20 0 GFADRO CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NCc1nc(Br)nn1C ZINC000894476561 663464299 /nfs/dbraw/zinc/46/42/99/663464299.db2.gz CDCNNNCQWIRUNB-OAHLLOKOSA-N 1 0 380.334 2.824 20 0 GFADRO Cn1nc(Br)nc1C[NH2+][C@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000894535975 663467653 /nfs/dbraw/zinc/46/76/53/663467653.db2.gz ZUMXPGFVACYTMI-QWRGUYRKSA-N 1 0 388.310 2.503 20 0 GFADRO COC(=O)[C@@H](C[NH2+]Cc1sc(N2CCOCC2)nc1Cl)CC(C)C ZINC000894790384 663481712 /nfs/dbraw/zinc/48/17/12/663481712.db2.gz ILHPCXRWMJEWDZ-GFCCVEGCSA-N 1 0 375.922 2.558 20 0 GFADRO Brc1ccc(C[NH2+]CCO[C@@H]2CCCCO2)c(N2CCOCC2)c1 ZINC000894796408 663482095 /nfs/dbraw/zinc/48/20/95/663482095.db2.gz IHIBZUDGPSXSOJ-GOSISDBHSA-N 1 0 399.329 2.919 20 0 GFADRO CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CCC(C)(C)S(C)(=O)=O)C[C@H]1C(F)(F)F ZINC000894911598 663487948 /nfs/dbraw/zinc/48/79/48/663487948.db2.gz ZVLCVLBIKOKMLV-JHJVBQTASA-N 1 0 387.464 2.700 20 0 GFADRO CS(=O)(=O)CCC(=O)Nc1ccc(C[NH+]2CCCC2)c(C(F)(F)F)c1 ZINC000894984634 663493442 /nfs/dbraw/zinc/49/34/42/663493442.db2.gz LRRXXISREWBNOI-UHFFFAOYSA-N 1 0 378.416 2.674 20 0 GFADRO O=S1(=O)C[C@H](C[NH2+]Cc2cnc(CC(F)(F)F)s2)Oc2ccccc21 ZINC000895089792 663499181 /nfs/dbraw/zinc/49/91/81/663499181.db2.gz DDRSKCKPECMSSJ-JTQLQIEISA-N 1 0 392.424 2.572 20 0 GFADRO C[C@H](Nc1ncncc1-c1ccc(Br)cc1)[C@@H]1C[N@H+](C)CCN1C ZINC000895250033 663505255 /nfs/dbraw/zinc/50/52/55/663505255.db2.gz ZLFPGSUAWCTPEZ-GUYCJALGSA-N 1 0 390.329 2.952 20 0 GFADRO Cc1nc(Br)sc1C(=O)N1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000895267130 663506259 /nfs/dbraw/zinc/50/62/59/663506259.db2.gz PTPFCHBBSGXAON-SNVBAGLBSA-N 1 0 381.299 2.960 20 0 GFADRO CC1(C)CNC(=O)[C@@H]1[NH2+]C1CCN(Cc2ccccc2Br)CC1 ZINC000895316801 663507810 /nfs/dbraw/zinc/50/78/10/663507810.db2.gz RDIMERKUNMPMMR-INIZCTEOSA-N 1 0 380.330 2.528 20 0 GFADRO Cc1nn(C(C)C)c(C)c1C[NH2+]CCNC(=O)c1ccc(Br)cn1 ZINC000895318314 663507831 /nfs/dbraw/zinc/50/78/31/663507831.db2.gz NRBWJTFXJQJRKO-UHFFFAOYSA-N 1 0 394.317 2.758 20 0 GFADRO CN1CC[C@H]([NH2+][C@H]2C(=O)NCC2(C)C)C[C@H]1c1ccc(Br)cc1 ZINC000895323094 663508260 /nfs/dbraw/zinc/50/82/60/663508260.db2.gz YIIGRGCWAUYTDG-JYJNAYRXSA-N 1 0 380.330 2.699 20 0 GFADRO COc1ccc(NC(=O)C[C@@H](C)[NH2+]Cc2cnc(Br)cn2)cc1 ZINC000895407983 663512536 /nfs/dbraw/zinc/51/25/36/663512536.db2.gz KWMMLKCZTYQBMG-LLVKDONJSA-N 1 0 379.258 2.755 20 0 GFADRO CC(C)(C)OC(=O)N1CC[C@@](C)(C[NH2+]C[C@H](O)C(F)(F)C(F)(F)F)C1 ZINC000895678888 663522854 /nfs/dbraw/zinc/52/28/54/663522854.db2.gz XVTLZJUAJFXMFN-GWCFXTLKSA-N 1 0 376.366 2.782 20 0 GFADRO COC(=O)[C@]1(O)CC[N@H+](Cc2cnc(-c3ccc(Br)cc3)s2)C1 ZINC000895704825 663524114 /nfs/dbraw/zinc/52/41/14/663524114.db2.gz YXCRQNXZCUTTQA-INIZCTEOSA-N 1 0 397.294 2.682 20 0 GFADRO CCO/C=C/[C@@](O)(C[NH2+]Cc1ccc2c(c1)sc(=O)n2C)C(F)(F)F ZINC000895713452 663524801 /nfs/dbraw/zinc/52/48/01/663524801.db2.gz LKMAPGNXBKERIH-LQYUOIDQSA-N 1 0 376.400 2.533 20 0 GFADRO C[NH+](C)Cc1ccc(NCc2ccc(S(N)(=O)=O)o2)cc1C(F)(F)F ZINC000895865031 663531074 /nfs/dbraw/zinc/53/10/74/663531074.db2.gz ROACWCHJVGQUBE-UHFFFAOYSA-N 1 0 377.388 2.620 20 0 GFADRO C[NH+](C)CC[C@@H](Nc1ncc(I)cn1)c1cccnc1 ZINC000895890819 663532323 /nfs/dbraw/zinc/53/23/23/663532323.db2.gz MWOWGHVAHPOEIJ-CYBMUJFWSA-N 1 0 383.237 2.581 20 0 GFADRO O=C(NCc1csc(C(F)(F)F)c1)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000896039058 663538679 /nfs/dbraw/zinc/53/86/79/663538679.db2.gz APEKDKQLIXNYGW-OLZOCXBDSA-N 1 0 377.432 2.508 20 0 GFADRO C[C@@H](NC(=O)c1cccc2c(Br)cccc12)[C@@H]1C[N@H+](C)CCN1C ZINC000896526410 663560324 /nfs/dbraw/zinc/56/03/24/663560324.db2.gz HWVFTXNJSGBRNI-ACJLOTCBSA-N 1 0 390.325 2.966 20 0 GFADRO C[C@H](NC(=O)c1cccc2c(Br)cccc12)[C@H]1C[N@H+](C)CCN1C ZINC000896526420 663560490 /nfs/dbraw/zinc/56/04/90/663560490.db2.gz HWVFTXNJSGBRNI-SCLBCKFNSA-N 1 0 390.325 2.966 20 0 GFADRO C[C@@H](NC(=O)c1cc(Cl)c(Br)cc1F)[C@@H]1C[N@H+](C)CCN1C ZINC000896539342 663562222 /nfs/dbraw/zinc/56/22/22/663562222.db2.gz MXKHQQJNHIIXIS-OTYXRUKQSA-N 1 0 392.700 2.606 20 0 GFADRO C[C@@H](NC(=O)C1(c2ccc(Br)cc2)CCC1)[C@@H]1C[N@H+](C)CCN1C ZINC000896556952 663563627 /nfs/dbraw/zinc/56/36/27/663563627.db2.gz RXBYLOXWFGGFOB-PBHICJAKSA-N 1 0 394.357 2.621 20 0 GFADRO Clc1nc(N2CCOCC2)sc1C[NH2+]CCc1nc2c(s1)CCC2 ZINC000896841201 663579057 /nfs/dbraw/zinc/57/90/57/663579057.db2.gz KTGWRQGMKJCORY-UHFFFAOYSA-N 1 0 384.958 2.911 20 0 GFADRO CCOc1ccc(NC(=O)C2C[NH+](C3CCOCC3)C2)cc1Br ZINC000897448571 663606236 /nfs/dbraw/zinc/60/62/36/663606236.db2.gz JSEJHHHVUNOQTN-UHFFFAOYSA-N 1 0 383.286 2.897 20 0 GFADRO CC[C@](O)(CCC(F)(F)F)C[NH2+]Cc1ccc(Cl)c(S(N)(=O)=O)c1 ZINC000897523020 663608472 /nfs/dbraw/zinc/60/84/72/663608472.db2.gz ISFSSMKZSRASKL-ZDUSSCGKSA-N 1 0 388.839 2.561 20 0 GFADRO CN(C[C@H](O)c1ccccc1Br)C(=O)NC[C@H]1CCCC[N@H+](C)C1 ZINC000897557538 663610232 /nfs/dbraw/zinc/61/02/32/663610232.db2.gz NZSYUGFWOPMLJD-PBHICJAKSA-N 1 0 398.345 2.856 20 0 GFADRO COCCN(Cc1cc(Br)cs1)C(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC000897562495 663611071 /nfs/dbraw/zinc/61/10/71/663611071.db2.gz DORNWANZRNTKQS-INIZCTEOSA-N 1 0 387.343 2.972 20 0 GFADRO CC[C@@H](C)[NH2+][C@@H](CNC(=O)c1cc(N)nc(Br)c1)c1ccco1 ZINC000897730782 663617589 /nfs/dbraw/zinc/61/75/89/663617589.db2.gz RRPKBDXPINYPLY-PWSUYJOCSA-N 1 0 381.274 2.879 20 0 GFADRO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+][C@H]1CCSC(C)(C)C1 ZINC000897799429 663620852 /nfs/dbraw/zinc/62/08/52/663620852.db2.gz HLVVZGKNGQVFIT-STQMWFEESA-N 1 0 391.990 2.968 20 0 GFADRO COC(=O)C[C@H]([NH2+]Cc1sc(N2CCOCC2)nc1Cl)C(C)(C)C ZINC000897886386 663623808 /nfs/dbraw/zinc/62/38/08/663623808.db2.gz AUWBGKJJNULLQP-LBPRGKRZSA-N 1 0 375.922 2.701 20 0 GFADRO Cn1nnnc1CCC[NH2+]Cc1ccc(Br)cc1C(F)(F)F ZINC000898038768 663630960 /nfs/dbraw/zinc/63/09/60/663630960.db2.gz QIDQZPUALKQXJZ-UHFFFAOYSA-N 1 0 378.196 2.714 20 0 GFADRO C[C@H](C(=O)N1CCC(CO)([NH2+]CC2CC2)CC1)c1cccc(Br)c1 ZINC000898111091 663633784 /nfs/dbraw/zinc/63/37/84/663633784.db2.gz UFXNAOAJXCSIKV-AWEZNQCLSA-N 1 0 395.341 2.906 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3[C@@H]4c5cccc(Br)c5C[C@H]34)C[C@@H]2C1 ZINC000898169122 663637060 /nfs/dbraw/zinc/63/70/60/663637060.db2.gz CURUMCCBBIUBTJ-ZGBLPPDBSA-N 1 0 375.310 2.745 20 0 GFADRO CN(c1cccc(C[NH2+]Cc2cc(Cl)cc3c2OCC3)c1)S(C)(=O)=O ZINC000898283949 663642191 /nfs/dbraw/zinc/64/21/91/663642191.db2.gz FWTKLMHPUPIVEL-UHFFFAOYSA-N 1 0 380.897 2.961 20 0 GFADRO C[C@H]1C[C@@H](N(C)C(=O)C(=O)NCCc2ccc(Cl)c(Cl)c2)CC[N@@H+]1C ZINC000898660074 663659139 /nfs/dbraw/zinc/65/91/39/663659139.db2.gz OMNRSFCOMPWWAH-JSGCOSHPSA-N 1 0 386.323 2.593 20 0 GFADRO C[C@@H]([NH2+][C@@H]1CCc2ncc(Br)n2C1)c1ccc(S(C)(=O)=O)cc1 ZINC000898720298 663660547 /nfs/dbraw/zinc/66/05/47/663660547.db2.gz LRUIEHKPHITCIQ-DGCLKSJQSA-N 1 0 398.326 2.715 20 0 GFADRO C[C@@H](NC(=S)N1CCN(C)CC[N@H+](C)CC1)c1ccc(Br)cc1 ZINC000899654525 663697693 /nfs/dbraw/zinc/69/76/93/663697693.db2.gz UAGABEHAPYVGAO-CQSZACIVSA-N 1 0 399.402 2.564 20 0 GFADRO C[NH+](C)Cc1ccc(NC(=O)C[C@@H]2CCCS2(=O)=O)cc1C(F)(F)F ZINC000899671829 663697932 /nfs/dbraw/zinc/69/79/32/663697932.db2.gz DVQUZWXGXALWPV-ZDUSSCGKSA-N 1 0 378.416 2.673 20 0 GFADRO C[N@H+](CCO)CCNC(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1 ZINC000899729784 663699593 /nfs/dbraw/zinc/69/95/93/663699593.db2.gz OMFOHKLLUABCDE-UHFFFAOYSA-N 1 0 386.279 2.621 20 0 GFADRO Cc1[nH]c(=O)c(Br)cc1C(=O)N1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000899809191 663700822 /nfs/dbraw/zinc/70/08/22/663700822.db2.gz LLGOROQBIRPPLK-NSHDSACASA-N 1 0 391.269 2.604 20 0 GFADRO Cc1ccc(Br)c(C(=O)N2CCC[C@@H]([NH2+]C3CCOCC3)C2)n1 ZINC000899927444 663702772 /nfs/dbraw/zinc/70/27/72/663702772.db2.gz QNNIDMYKMLKBID-CQSZACIVSA-N 1 0 382.302 2.526 20 0 GFADRO C[NH2+][C@H](C)Cc1noc(-c2cc(Br)cnc2Br)n1 ZINC000900008701 663706329 /nfs/dbraw/zinc/70/63/29/663706329.db2.gz PJIWVRLKARRDTJ-ZCFIWIBFSA-N 1 0 376.052 2.807 20 0 GFADRO C[C@@H](Cc1cccc(Br)c1)NC(=O)c1ccnn1CC[NH+](C)C ZINC000900377084 663713447 /nfs/dbraw/zinc/71/34/47/663713447.db2.gz HDNATTJSDAERDC-ZDUSSCGKSA-N 1 0 379.302 2.568 20 0 GFADRO C[NH+]1CCC(NCc2cn(Cc3cc(Br)ccc3Cl)nn2)CC1 ZINC000900541067 663716495 /nfs/dbraw/zinc/71/64/95/663716495.db2.gz CASNOQHBUNZWJW-UHFFFAOYSA-N 1 0 398.736 2.926 20 0 GFADRO C[C@@H](NC(=O)COc1c(Cl)cc(Cl)cc1Cl)[C@@H]1C[N@H+](C)CCN1C ZINC000900812137 663722108 /nfs/dbraw/zinc/72/21/08/663722108.db2.gz RYMWJDBFUHZBEC-YGRLFVJLSA-N 1 0 394.730 2.776 20 0 GFADRO CC1(C[NH2+][C@H](C(N)=O)c2cccc(Br)c2)CCC2(CC1)OCCO2 ZINC000901656676 663740831 /nfs/dbraw/zinc/74/08/31/663740831.db2.gz MFROIWFQPYNVIR-HNNXBMFYSA-N 1 0 397.313 2.889 20 0 GFADRO C[C@H](Sc1nc(CO)cs1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000901689034 663742065 /nfs/dbraw/zinc/74/20/65/663742065.db2.gz YNBYSXVGAAEZBM-DZGCQCFKSA-N 1 0 377.535 2.507 20 0 GFADRO C[C@H](Sc1nc(CO)cs1)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000901689037 663742109 /nfs/dbraw/zinc/74/21/09/663742109.db2.gz YNBYSXVGAAEZBM-ZFWWWQNUSA-N 1 0 377.535 2.507 20 0 GFADRO Cc1ccccc1NC(=O)[C@@H](C)[NH2+][C@H]1CCc2ncc(Br)n2C1 ZINC000901728139 663743832 /nfs/dbraw/zinc/74/38/32/663743832.db2.gz LFILTSOHJLCTHC-OLZOCXBDSA-N 1 0 377.286 2.886 20 0 GFADRO O=C(NCCC[NH2+][C@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21)c1ccc(Br)cc1 ZINC000902785470 663767510 /nfs/dbraw/zinc/76/75/10/663767510.db2.gz FRQSIQIJKWFEIQ-NNPSNHGLSA-N 1 0 393.325 2.972 20 0 GFADRO CC(C)C[C@@H]([NH2+]C1CCN(S(=O)(=O)C(F)(F)F)CC1)C1CCOCC1 ZINC000902836011 663768136 /nfs/dbraw/zinc/76/81/36/663768136.db2.gz AWDDXKARVMNYNZ-OAHLLOKOSA-N 1 0 386.480 2.731 20 0 GFADRO CC(=O)N1CCC([NH2+][C@H](C)c2cccc(S(=O)(=O)C(F)(F)F)c2)CC1 ZINC000903057806 663772225 /nfs/dbraw/zinc/77/22/25/663772225.db2.gz FMXZSYSWAGIXJK-LLVKDONJSA-N 1 0 378.416 2.642 20 0 GFADRO C[C@H]([NH2+]CCOC[C@@H]1CCOC1)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000903094005 663773073 /nfs/dbraw/zinc/77/30/73/663773073.db2.gz WEFSUPUIITVSFP-QWHCGFSZSA-N 1 0 381.416 2.684 20 0 GFADRO C[NH+](C)CCOc1ccc(CCNC(=O)c2cnc(Br)s2)cc1 ZINC000903147092 663776089 /nfs/dbraw/zinc/77/60/89/663776089.db2.gz FBDUOTGRPUTVAM-UHFFFAOYSA-N 1 0 398.326 2.819 20 0 GFADRO Clc1cc(C[NH2+][C@H]2CCO[C@]23CCOC3)ccc1I ZINC000903167687 663776763 /nfs/dbraw/zinc/77/67/63/663776763.db2.gz OLMRPMRXROMOMD-KBPBESRZSA-N 1 0 393.652 2.982 20 0 GFADRO C[C@@H]([NH2+][C@@H](C)C1(S(C)(=O)=O)CC1)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000903169964 663776898 /nfs/dbraw/zinc/77/68/98/663776898.db2.gz DSYDJVQGZOEPTN-MNOVXSKESA-N 1 0 399.456 2.596 20 0 GFADRO C[C@@H]([NH2+]CC1(S(=O)(=O)NC(C)(C)C)CCC1)c1ccc([S@@](C)=O)cc1 ZINC000903189394 663777654 /nfs/dbraw/zinc/77/76/54/663777654.db2.gz VRKLXOMXEJZHOI-JBEBIEQOSA-N 1 0 386.583 2.715 20 0 GFADRO CC[C@H]([NH2+]CCS(=O)(=O)N=S(C)(C)=O)c1ccc(Br)cc1 ZINC000903230194 663779743 /nfs/dbraw/zinc/77/97/43/663779743.db2.gz WTWYCWBXTLWRIM-ZDUSSCGKSA-N 1 0 397.360 2.547 20 0 GFADRO O=S1(=O)CC[C@@H]([NH2+][C@@H]2CCO[C@H]2C2CC2)c2cc(Br)ccc21 ZINC000903266178 663780688 /nfs/dbraw/zinc/78/06/88/663780688.db2.gz UNIICDIAIGEDKY-FMKPAKJESA-N 1 0 386.311 2.825 20 0 GFADRO CC[C@@H]([NH2+]C[C@]1(OC)CCSC1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000903314329 663781308 /nfs/dbraw/zinc/78/13/08/663781308.db2.gz LXYVLWLOJXBJNH-GDBMZVCRSA-N 1 0 392.974 2.811 20 0 GFADRO O=C1Nc2ncc(Br)cc2C[C@H]1[NH2+][C@@H]1CCN(c2ccccc2)C1 ZINC000903323618 663781765 /nfs/dbraw/zinc/78/17/65/663781765.db2.gz FQQXUSVHJZMCKR-GDBMZVCRSA-N 1 0 387.281 2.576 20 0 GFADRO Cn1nnnc1CCC[NH2+][C@H](c1cccc(Br)c1)C1CCOCC1 ZINC000903348387 663782380 /nfs/dbraw/zinc/78/23/80/663782380.db2.gz BDOOSRZJZBCHHI-KRWDZBQOSA-N 1 0 394.317 2.663 20 0 GFADRO CO[C@@]1(C[NH2+][C@@H]2CCCc3c4cc(Cl)ccc4[nH]c32)CCS(=O)(=O)C1 ZINC000903362328 663782504 /nfs/dbraw/zinc/78/25/04/663782504.db2.gz DNEYMILGYROIFE-SJLPKXTDSA-N 1 0 382.913 2.992 20 0 GFADRO CO[C@]1(C[NH2+][C@@H]2CCCc3cc(Br)ccc32)CCS(=O)(=O)C1 ZINC000903363601 663782668 /nfs/dbraw/zinc/78/26/68/663782668.db2.gz PGVSBQZYYIWVNT-CVEARBPZSA-N 1 0 388.327 2.620 20 0 GFADRO COc1cc([C@@H](C)[NH2+]C[C@@]2(OC)CCS(=O)(=O)C2)ccc1SC(F)F ZINC000903367418 663783110 /nfs/dbraw/zinc/78/31/10/663783110.db2.gz ISHBSCZYUQMMPB-BZNIZROVSA-N 1 0 395.493 2.864 20 0 GFADRO O=c1cc(N2CC[C@H]([NH2+][C@@H](c3nc(Br)cs3)C3CC3)C2)nc[nH]1 ZINC000903399529 663783720 /nfs/dbraw/zinc/78/37/20/663783720.db2.gz NPWWQXCZMSNUHX-IINYFYTJSA-N 1 0 396.314 2.721 20 0 GFADRO O=c1ccn(CCC[NH2+][C@@H](c2ccc(Br)cc2F)C2CC2)c(=O)[nH]1 ZINC000903428466 663784425 /nfs/dbraw/zinc/78/44/25/663784425.db2.gz HOPXXLIRDKDTKU-MRXNPFEDSA-N 1 0 396.260 2.982 20 0 GFADRO C[C@@H]1C[C@@H]([NH2+]CCCn2ccc(=O)[nH]c2=O)c2cccc(Br)c21 ZINC000903432009 663784474 /nfs/dbraw/zinc/78/44/74/663784474.db2.gz FHIRDUKHGMFCSS-BXUZGUMPSA-N 1 0 378.270 2.940 20 0 GFADRO C[C@@H]([NH2+][C@@H]1CCN(c2cn[nH]c(=O)c2Cl)C1)c1cncc(Br)c1 ZINC000903435857 663784736 /nfs/dbraw/zinc/78/47/36/663784736.db2.gz SRWWEGHBORLFFC-BXKDBHETSA-N 1 0 398.692 2.923 20 0 GFADRO COC(=O)C1CC2(C1)C[C@H]([NH2+][C@H](C)c1cccc(Cl)c1)CCS2(=O)=O ZINC000903452352 663784955 /nfs/dbraw/zinc/78/49/55/663784955.db2.gz MGKMBDCDPHEDGJ-PYDOJAACSA-N 1 0 385.913 2.890 20 0 GFADRO O=S(=O)(c1cc2ccccc2s1)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000903514482 663786409 /nfs/dbraw/zinc/78/64/09/663786409.db2.gz JAHVGKIKIAIGQJ-INIZCTEOSA-N 1 0 380.535 2.681 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCN(S(=O)(=O)Cc2cccc(Cl)c2Br)C1 ZINC000903518110 663786692 /nfs/dbraw/zinc/78/66/92/663786692.db2.gz MMWSDUZPBABMIV-VHSXEESVSA-N 1 0 381.723 2.601 20 0 GFADRO O=S(=O)(Cc1cccc(Cl)c1Br)N[C@H]1CCC[NH2+]CC1 ZINC000903519016 663786815 /nfs/dbraw/zinc/78/68/15/663786815.db2.gz VFUUIKBBHWAWDP-NSHDSACASA-N 1 0 381.723 2.664 20 0 GFADRO COc1ccc(Cl)cc1NC(=O)CCN1CC[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903534427 663787573 /nfs/dbraw/zinc/78/75/73/663787573.db2.gz MJHVSUJOAZGVBQ-VXGBXAGGSA-N 1 0 379.810 2.889 20 0 GFADRO [NH3+]CC1([C@@H]2CCCCN2S(=O)(=O)c2cnccc2C(F)(F)F)CCC1 ZINC000903548314 663788336 /nfs/dbraw/zinc/78/83/36/663788336.db2.gz ZYTUONJCICHDQS-AWEZNQCLSA-N 1 0 377.432 2.773 20 0 GFADRO [NH3+][C@H]1CN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC[C@H]1C(F)(F)F ZINC000903577010 663789835 /nfs/dbraw/zinc/78/98/35/663789835.db2.gz CJLAENFWEAVCOF-SCZZXKLOSA-N 1 0 377.215 2.894 20 0 GFADRO [NH3+][C@@H]1CN(S(=O)(=O)c2csc(-c3ccccc3)n2)CC[C@H]1C(F)(F)F ZINC000903578245 663789952 /nfs/dbraw/zinc/78/99/52/663789952.db2.gz DJBIMQPMBXHLTO-VXGBXAGGSA-N 1 0 391.440 2.710 20 0 GFADRO [NH3+][C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2Cl)CC[C@@H]1C(F)(F)F ZINC000903579014 663790082 /nfs/dbraw/zinc/79/00/82/663790082.db2.gz LELZFFZNGMAKNH-WCBMZHEXSA-N 1 0 377.215 2.894 20 0 GFADRO [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(S(=O)(=O)c1cc(Cl)ccc1Br)C2 ZINC000903579251 663790105 /nfs/dbraw/zinc/79/01/05/663790105.db2.gz KAKXNZXDVMKVKK-GDPRMGEGSA-N 1 0 379.707 2.603 20 0 GFADRO [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(S(=O)(=O)c1cc(Br)ccc1Cl)C2 ZINC000903582002 663790367 /nfs/dbraw/zinc/79/03/67/663790367.db2.gz PXBQYZZLQVAXSE-LSJOCFKGSA-N 1 0 379.707 2.603 20 0 GFADRO [NH3+]C[C@@H]1Cc2cc(F)ccc2N(S(=O)(=O)c2ccc(Cl)nc2Cl)C1 ZINC000903588622 663790821 /nfs/dbraw/zinc/79/08/21/663790821.db2.gz MLIPJCSMQCTCRF-VIFPVBQESA-N 1 0 390.267 2.854 20 0 GFADRO Brc1ccccc1[C@@H]1CN(C[C@H]2CC3(CO2)CC[NH2+]CC3)CCO1 ZINC000903726514 663805148 /nfs/dbraw/zinc/80/51/48/663805148.db2.gz MJFNXNQONHOSTJ-QAPCUYQASA-N 1 0 395.341 2.981 20 0 GFADRO Brc1cccc2c1CN(C[C@@H]1CC3(CO1)CC[NH2+]CC3)CCO2 ZINC000903768663 663806325 /nfs/dbraw/zinc/80/63/25/663806325.db2.gz ORMYWJUMZYPHLV-AWEZNQCLSA-N 1 0 381.314 2.802 20 0 GFADRO Cc1cc(Br)ccc1C(=O)N1CCC(N[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000903963507 663813972 /nfs/dbraw/zinc/81/39/72/663813972.db2.gz AAZVUVVGUAHQAY-CXAGYDPISA-N 1 0 380.330 2.560 20 0 GFADRO COc1nccc(-c2noc(COC3CC[NH+](C)CC3)n2)c1Br ZINC000904200191 663827738 /nfs/dbraw/zinc/82/77/38/663827738.db2.gz QQTGXLGSBVGWSL-UHFFFAOYSA-N 1 0 383.246 2.514 20 0 GFADRO COCC[C@H]1C[NH2+]CCN1C(=O)Nc1c(C)cc(Br)cc1OC ZINC000904308904 663830537 /nfs/dbraw/zinc/83/05/37/663830537.db2.gz ZOCRJXIFULBGNW-ZDUSSCGKSA-N 1 0 386.290 2.608 20 0 GFADRO Nc1ccc(C[NH2+]C2CCN(Cc3cccc(Br)c3)CC2)nn1 ZINC000904374069 663831813 /nfs/dbraw/zinc/83/18/13/663831813.db2.gz ZLOWAQCAJFDHFW-UHFFFAOYSA-N 1 0 376.302 2.576 20 0 GFADRO COC(=O)c1c(Br)ccc(NC(=O)N[C@H]2C[NH2+]CC2(C)C)c1C ZINC000904441959 663834547 /nfs/dbraw/zinc/83/45/47/663834547.db2.gz BGEMPTWVLVFRAM-LBPRGKRZSA-N 1 0 384.274 2.664 20 0 GFADRO COCC[C@@H]1C[NH2+]CCN1C(=O)Nc1cccc(Br)c1Cl ZINC000904472106 663835360 /nfs/dbraw/zinc/83/53/60/663835360.db2.gz LGLRESQBKRSRPJ-SNVBAGLBSA-N 1 0 376.682 2.945 20 0 GFADRO O=C(Nc1ccc(-c2ccc(Br)s2)nn1)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000904461380 663835446 /nfs/dbraw/zinc/83/54/46/663835446.db2.gz IOIJZSVBLKCDOW-IQJOONFLSA-N 1 0 394.298 2.982 20 0 GFADRO O=C(Nc1cc(Cl)ccc1I)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000904484365 663835941 /nfs/dbraw/zinc/83/59/41/663835941.db2.gz GHPQLQYPQZXHIA-UBHAPETDSA-N 1 0 391.640 2.959 20 0 GFADRO Cc1c(I)ccc(NC(=O)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)c1C ZINC000904536905 663836967 /nfs/dbraw/zinc/83/69/67/663836967.db2.gz GHODHXWMRFSRLZ-ZLKJLUDKSA-N 1 0 385.249 2.922 20 0 GFADRO COc1ccc(Cc2noc(Cc3csc(C[NH3+])n3)n2)c(Cl)c1OC ZINC000904666241 663839834 /nfs/dbraw/zinc/83/98/34/663839834.db2.gz QESPQWJWNRGJLP-UHFFFAOYSA-N 1 0 380.857 2.837 20 0 GFADRO [NH3+]CCCSCCc1nc(CC(=O)Nc2ccccc2Br)no1 ZINC000904690621 663840970 /nfs/dbraw/zinc/84/09/70/663840970.db2.gz VCSRSYLIUBDDKI-UHFFFAOYSA-N 1 0 399.314 2.638 20 0 GFADRO C[C@@H]1C[NH2+]C[C@H]1Cc1nc(-c2n[nH]c(-c3cccc(Br)c3)n2)no1 ZINC000904712533 663841791 /nfs/dbraw/zinc/84/17/91/663841791.db2.gz LNOXCEVSFJDRMT-MWLCHTKSSA-N 1 0 389.257 2.682 20 0 GFADRO CN(C(=O)c1ccc(Cn2cc(Br)cn2)s1)C1CC[NH+](C)CC1 ZINC000905026452 663849933 /nfs/dbraw/zinc/84/99/33/663849933.db2.gz BIXMWVUIQGBOOX-UHFFFAOYSA-N 1 0 397.342 2.922 20 0 GFADRO O[C@@H](CCC1(O)CCC1)C[NH2+]CCc1ccc(I)s1 ZINC000905084807 663851821 /nfs/dbraw/zinc/85/18/21/663851821.db2.gz UOBOKEXOEPXKNM-NSHDSACASA-N 1 0 395.306 2.541 20 0 GFADRO COc1cc(Br)c(C[NH2+]C[C@H](O)CC2(O)CCCC2)cc1OC ZINC000905088758 663852100 /nfs/dbraw/zinc/85/21/00/663852100.db2.gz KCUBSEKENDWCAN-CYBMUJFWSA-N 1 0 388.302 2.612 20 0 GFADRO CN(C)C(=O)[C@H]1CCCN1CCC[NH2+]C[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC000905091024 663852238 /nfs/dbraw/zinc/85/22/38/663852238.db2.gz XDADFGCNXXWGGQ-SJORKVTESA-N 1 0 388.339 2.559 20 0 GFADRO C[C@@H](C[NH2+]C[C@@H](O)C1(S(=O)(=O)NC(C)(C)C)CCC1)Cc1cccs1 ZINC000905132442 663854622 /nfs/dbraw/zinc/85/46/22/663854622.db2.gz ASAPDNHAJZZJCD-GDBMZVCRSA-N 1 0 388.599 2.518 20 0 GFADRO CC[C@H](CS(=O)(=O)c1ccccc1)[NH2+]C[C@@](C)(O)C(F)(F)C(F)(F)F ZINC000905179195 663856918 /nfs/dbraw/zinc/85/69/18/663856918.db2.gz HULHQNMIBMCOQN-DGCLKSJQSA-N 1 0 389.386 2.777 20 0 GFADRO CCn1c2ccc(Br)cc2nc1C[NH2+]C[C@H](O)CCC1(O)CCC1 ZINC000905229763 663860780 /nfs/dbraw/zinc/86/07/80/663860780.db2.gz JJTGEBOWNOOMRB-CQSZACIVSA-N 1 0 396.329 2.964 20 0 GFADRO O[C@H](C[NH2+][C@H]1CCN(c2cccc(Br)c2)C1)CC1(O)CCCC1 ZINC000905236896 663861447 /nfs/dbraw/zinc/86/14/47/663861447.db2.gz GGJZZRNILAZNEM-RDJZCZTQSA-N 1 0 383.330 2.674 20 0 GFADRO O=S(=O)(CC1CC[NH2+]CC1)N1CCC[C@@H](CNc2ccc(Cl)cc2)C1 ZINC000905363918 663867546 /nfs/dbraw/zinc/86/75/46/663867546.db2.gz ZXPSQXZHJPPJFH-INIZCTEOSA-N 1 0 385.961 2.793 20 0 GFADRO O[C@H](CC[C@H](O)c1ccccc1)C[NH2+]C[C@H](O)c1cccc(Br)c1 ZINC000905370500 663868124 /nfs/dbraw/zinc/86/81/24/663868124.db2.gz FAZLGUQWMRDRKX-QYZOEREBSA-N 1 0 394.309 2.947 20 0 GFADRO C[C@@](O)(C[NH2+][C@H]1c2sccc2OC(C)(C)[C@@H]1O)C(F)(F)C(F)(F)F ZINC000905370745 663868252 /nfs/dbraw/zinc/86/82/52/663868252.db2.gz GZHYCVLSDHDNAP-MKPLZMMCSA-N 1 0 375.359 2.859 20 0 GFADRO CCOC(=O)C[C@@H]1CCCC[C@@]1(O)C[NH2+]Cc1ncc(Br)s1 ZINC000905410386 663870199 /nfs/dbraw/zinc/87/01/99/663870199.db2.gz VUWRWQHVIOBNDK-XHDPSFHLSA-N 1 0 391.331 2.870 20 0 GFADRO O=C1NCCN1c1ccc(C[NH2+]C[C@H](O)c2ccc(Br)cc2)cc1 ZINC000905421174 663870791 /nfs/dbraw/zinc/87/07/91/663870791.db2.gz WWIREWCRWMWDQK-KRWDZBQOSA-N 1 0 390.281 2.802 20 0 GFADRO Cn1nc(C(F)(F)F)cc1C[NH2+]C[C@H](O)COCc1ccc(Cl)cc1 ZINC000905570051 663878848 /nfs/dbraw/zinc/87/88/48/663878848.db2.gz VVYACNTXYNFSQN-AWEZNQCLSA-N 1 0 377.794 2.760 20 0 GFADRO C[C@@](O)(C[NH2+]CCO[C@H]1CCOC1)c1ccc(Br)cc1Cl ZINC000905608536 663881065 /nfs/dbraw/zinc/88/10/65/663881065.db2.gz IXVPRGSXUVVKGK-SWLSCSKDSA-N 1 0 378.694 2.705 20 0 GFADRO OCCC1CC([NH2+]C[C@@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000905667765 663884766 /nfs/dbraw/zinc/88/47/66/663884766.db2.gz DAGBZQPKNJNGEL-KGPNIALWSA-N 1 0 378.694 2.593 20 0 GFADRO COc1nn(C)cc1C[NH2+]C[C@@](C)(O)c1ccc(Br)cc1Cl ZINC000905674496 663885412 /nfs/dbraw/zinc/88/54/12/663885412.db2.gz HHEVWDAEOYDRAW-OAHLLOKOSA-N 1 0 388.693 2.842 20 0 GFADRO NC(=O)[C@H]([NH2+]C[C@@H]1CCC2(CCOCC2)CO1)c1cccc(Br)c1 ZINC000905779887 663892020 /nfs/dbraw/zinc/89/20/20/663892020.db2.gz FAXGYODVAVDELW-JKSUJKDBSA-N 1 0 397.313 2.541 20 0 GFADRO C[N@H+](Cc1cn(Cc2ccc(Br)nc2N)nn1)C1CCCCC1 ZINC000905814568 663893522 /nfs/dbraw/zinc/89/35/22/663893522.db2.gz BWFQTQGBLXVJBA-UHFFFAOYSA-N 1 0 379.306 2.831 20 0 GFADRO O[C@H](C[NH2+]C[C@]1(N2CCOCC2)CCSC1)c1ccc(Cl)c(Cl)c1 ZINC000905917449 663900880 /nfs/dbraw/zinc/90/08/80/663900880.db2.gz CLTYTNOXACUMMK-IAGOWNOFSA-N 1 0 391.364 2.824 20 0 GFADRO C[NH+](C)CCc1ccccc1NS(=O)(=O)N=[S@](C)(=O)C1CCCCC1 ZINC000906062536 663917820 /nfs/dbraw/zinc/91/78/20/663917820.db2.gz BKPVJVAPNBDQNJ-XMMPIXPASA-N 1 0 387.571 2.878 20 0 GFADRO CC(C)[N@@H+]1CC[C@H](CNC(=O)C(F)(F)c2ncccc2Br)C1 ZINC000906433762 663947485 /nfs/dbraw/zinc/94/74/85/663947485.db2.gz JREVWCYMVSKJEK-LLVKDONJSA-N 1 0 376.245 2.782 20 0 GFADRO COCCC[NH+]1CCC(NC(=O)COc2ccc(Br)c(C)c2)CC1 ZINC000906521388 663955435 /nfs/dbraw/zinc/95/54/35/663955435.db2.gz ZINXLSGTPZRBGB-UHFFFAOYSA-N 1 0 399.329 2.753 20 0 GFADRO Cc1cc(C(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)nn1-c1ccccc1Br ZINC000906626947 663961742 /nfs/dbraw/zinc/96/17/42/663961742.db2.gz IFKGDWSWIAZNEY-KBPBESRZSA-N 1 0 389.297 2.625 20 0 GFADRO [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(=O)Nc1cc(Cl)c(Cl)cc1Cl)C2 ZINC000906754663 663968637 /nfs/dbraw/zinc/96/86/37/663968637.db2.gz ICIJUWYTIFZDGT-YIZRAAEISA-N 1 0 376.671 2.924 20 0 GFADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H](OC)c2ccc(Br)s2)C1 ZINC000906848348 663976214 /nfs/dbraw/zinc/97/62/14/663976214.db2.gz WLPFMIUUAJNKNQ-FZMZJTMJSA-N 1 0 375.332 2.998 20 0 GFADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3cccn4ncc(Br)c34)CC[C@@H]21 ZINC000907038089 663995250 /nfs/dbraw/zinc/99/52/50/663995250.db2.gz QQVJDNKUNKSMPF-DOMZBBRYSA-N 1 0 377.286 2.653 20 0 GFADRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cccn3ncc(Br)c23)C1 ZINC000907065560 663998965 /nfs/dbraw/zinc/99/89/65/663998965.db2.gz QFHYWSRSLPIRKG-IUODEOHRSA-N 1 0 377.286 2.653 20 0 GFADRO O=S(=O)(NC1CC[NH+](C2CCOCC2)CC1)c1ccc(C(F)(F)F)s1 ZINC000907328759 664023727 /nfs/dbraw/zinc/02/37/27/664023727.db2.gz QFKPZEXJAIIUDL-UHFFFAOYSA-N 1 0 398.472 2.689 20 0 GFADRO C[NH+]1CCN(CCCS(=O)(=O)Oc2cccc3ccc(Cl)cc32)CC1 ZINC000907602528 664047790 /nfs/dbraw/zinc/04/77/90/664047790.db2.gz GVTYTZXYQYQIPC-UHFFFAOYSA-N 1 0 382.913 2.839 20 0 GFADRO C[NH+]1CCC2(CCN2S(=O)(=O)c2cc3ccc(Cl)nc3cc2F)CC1 ZINC000907854254 664065861 /nfs/dbraw/zinc/06/58/61/664065861.db2.gz WANAYNWDZHMYPI-UHFFFAOYSA-N 1 0 383.876 2.886 20 0 GFADRO C[N@@H+]1CCC[C@](O)(CC(=O)Nc2nnc(-c3ccc(Cl)cc3F)s2)C1 ZINC000907871207 664068165 /nfs/dbraw/zinc/06/81/65/664068165.db2.gz GHZFMVAOHIFCPC-INIZCTEOSA-N 1 0 384.864 2.783 20 0 GFADRO CC(C)[NH+]1CCN(CCC(=O)N[C@@H]2C[C@H]2c2ccccc2Br)CC1 ZINC000907938291 664072844 /nfs/dbraw/zinc/07/28/44/664072844.db2.gz DWWGHAJPQJWKJA-FUHWJXTLSA-N 1 0 394.357 2.837 20 0 GFADRO CN(CCC[NH+]1CCCC1)C(=O)C(F)(F)c1ncccc1Br ZINC000907959208 664073960 /nfs/dbraw/zinc/07/39/60/664073960.db2.gz JXOQVBSRPOHPER-UHFFFAOYSA-N 1 0 376.245 2.880 20 0 GFADRO C[N@H+](CC(=O)N(CCn1ccnc1)Cc1ccc(Br)o1)C1CCC1 ZINC000908126430 664085775 /nfs/dbraw/zinc/08/57/75/664085775.db2.gz XJVZWQJIYAQZOH-UHFFFAOYSA-N 1 0 395.301 2.752 20 0 GFADRO C/C=C/[C@H](O)C(=O)N(Cc1ccccc1Br)C1CC[NH+](C)CC1 ZINC000908262208 664095852 /nfs/dbraw/zinc/09/58/52/664095852.db2.gz SSEDJIGFAMGRPA-ZVVFDCPKSA-N 1 0 381.314 2.809 20 0 GFADRO C[N@@H+]1CC[C@@]2(CCN(C(=O)c3cnnn3-c3cc(Cl)ccc3Cl)C2)C1 ZINC000908362922 664102046 /nfs/dbraw/zinc/10/20/46/664102046.db2.gz MYAGQTLPFDSVQZ-QGZVFWFLSA-N 1 0 380.279 2.742 20 0 GFADRO C[N@@H+]1CCC[C@]2(CCN(C(=O)c3cc(Br)cn(C4CC4)c3=O)C2)C1 ZINC000908423378 664105347 /nfs/dbraw/zinc/10/53/47/664105347.db2.gz VBAAECVWYWSYQK-SFHVURJKSA-N 1 0 394.313 2.504 20 0 GFADRO C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C(F)(F)c1ncccc1Br)C2 ZINC000908534263 664113031 /nfs/dbraw/zinc/11/30/31/664113031.db2.gz AKYWECYNTRADAF-HNNXBMFYSA-N 1 0 388.256 2.880 20 0 GFADRO C[C@H](NC(=O)C1CN(C)CC[N@H+](C)C1)c1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC000908876713 664133778 /nfs/dbraw/zinc/13/37/78/664133778.db2.gz ZSRWXQYZCBSGLG-JTQLQIEISA-N 1 0 384.311 2.540 20 0 GFADRO C[NH+](C)CCOc1ccc(NC(=O)C[C@@H](O)C(Cl)(Cl)Cl)cc1F ZINC000909927611 664183910 /nfs/dbraw/zinc/18/39/10/664183910.db2.gz UFTLXLXJLOZLCD-GFCCVEGCSA-N 1 0 387.666 2.826 20 0 GFADRO CC[N@@H+]1CCCN(C(=O)C[C@](O)(c2nc(C)cs2)C(F)(F)F)[C@@H](C)C1 ZINC000910290530 664204612 /nfs/dbraw/zinc/20/46/12/664204612.db2.gz YIIWYNPYXUAGEN-WFASDCNBSA-N 1 0 379.448 2.534 20 0 GFADRO COc1ccc(Br)cc1-c1ncc(C(=O)N2CC[NH2+]CC2)s1 ZINC000911647134 664251594 /nfs/dbraw/zinc/25/15/94/664251594.db2.gz QMDBVTRVLMNOPK-UHFFFAOYSA-N 1 0 382.283 2.627 20 0 GFADRO [NH3+]C[C@@H]1CCCCN1C(=O)c1cnn(Cc2ccccc2)c1Br ZINC000911721355 664253968 /nfs/dbraw/zinc/25/39/68/664253968.db2.gz LCMURKDFMJOIJP-AWEZNQCLSA-N 1 0 377.286 2.647 20 0 GFADRO C[NH2+]CC1CCN(C(=O)c2cc(Br)cnc2Br)CC1 ZINC000911779020 664256297 /nfs/dbraw/zinc/25/62/97/664256297.db2.gz XZALHHHEAYEYGS-UHFFFAOYSA-N 1 0 391.107 2.678 20 0 GFADRO C[C@H]1CCCN(C(=O)c2ccc(Cn3cc(Br)cn3)s2)[C@@H]1C[NH3+] ZINC000911828245 664257828 /nfs/dbraw/zinc/25/78/28/664257828.db2.gz YYBLDPLRSMXDGY-SMDDNHRTSA-N 1 0 397.342 2.955 20 0 GFADRO O=C(c1nc(Br)c2ccccn21)N1CCC([NH2+]CC2CC2)CC1 ZINC000911842385 664258343 /nfs/dbraw/zinc/25/83/43/664258343.db2.gz VBCBLFNGROVPAO-UHFFFAOYSA-N 1 0 377.286 2.701 20 0 GFADRO CC[C@H](C(=O)N(CCO)C1CC[NH+](C)CC1)c1ccc(Br)cc1 ZINC000911932525 664262188 /nfs/dbraw/zinc/26/21/88/664262188.db2.gz RBZJMOLDEUTTFV-KRWDZBQOSA-N 1 0 383.330 2.858 20 0 GFADRO CCC(C)(C)[NH+]1CCN(C(=O)c2cc(Br)cn(C3CC3)c2=O)CC1 ZINC000912051795 664268630 /nfs/dbraw/zinc/26/86/30/664268630.db2.gz ALFFWTVOJBTYSM-UHFFFAOYSA-N 1 0 396.329 2.892 20 0 GFADRO C[C@H](NC(=O)[C@H]1CCCN(CC[NH3+])C1=O)c1cc(F)c(Cl)cc1Cl ZINC000912055799 664268675 /nfs/dbraw/zinc/26/86/75/664268675.db2.gz DXIXRGRMFZXBQZ-VHSXEESVSA-N 1 0 376.259 2.507 20 0 GFADRO CC[NH+](CC)CCSCC(=O)Nc1ccc(Br)c(CO)c1 ZINC000912171856 664273552 /nfs/dbraw/zinc/27/35/52/664273552.db2.gz UCRIDXSPVNAJMX-UHFFFAOYSA-N 1 0 375.332 2.955 20 0 GFADRO [NH3+]CCn1cc(Br)cc(C(=O)N2CCC[C@H]2C2CCCCC2)c1=O ZINC000912396262 664284959 /nfs/dbraw/zinc/28/49/59/664284959.db2.gz WOCDJLVZALFLPS-INIZCTEOSA-N 1 0 396.329 2.754 20 0 GFADRO O=C(C[C@@H](O)C(Cl)(Cl)Cl)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000912403892 664285309 /nfs/dbraw/zinc/28/53/09/664285309.db2.gz YZOVMZIETCMNKQ-CQSZACIVSA-N 1 0 394.730 2.531 20 0 GFADRO O=C(C[C@@]1(O)CCC[NH2+]C1)N[C@H]1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000912465348 664288550 /nfs/dbraw/zinc/28/85/50/664288550.db2.gz BGGHNMQTPUQWJZ-WGBDABJCSA-N 1 0 376.341 2.517 20 0 GFADRO CN(C(=O)c1ccnn1CC[NH+](C)C)[C@@H](CO)c1cccc(Cl)c1Cl ZINC000912464978 664288624 /nfs/dbraw/zinc/28/86/24/664288624.db2.gz XCVMEWSJZPHWPH-HNNXBMFYSA-N 1 0 385.295 2.557 20 0 GFADRO C[N@@H+]1CCC[C@@](O)(CC(=O)N[C@@H]2CSCc3ccc(Br)cc32)C1 ZINC000912466075 664288824 /nfs/dbraw/zinc/28/88/24/664288824.db2.gz RVPQGYIUPDXDSF-NVXWUHKLSA-N 1 0 399.354 2.700 20 0 GFADRO COCCOCC[N@H+](C)CCC(=O)Nc1cccc(Br)c1F ZINC000912539378 664292706 /nfs/dbraw/zinc/29/27/06/664292706.db2.gz OSDWJWNJGGOVTE-UHFFFAOYSA-N 1 0 377.254 2.512 20 0 GFADRO CC(C)[NH+]1CCN(CCC(=O)N[C@H](CO)c2cccc(Cl)c2Cl)CC1 ZINC000912702367 664298948 /nfs/dbraw/zinc/29/89/48/664298948.db2.gz TZDCVLGEVWHTBZ-MRXNPFEDSA-N 1 0 388.339 2.559 20 0 GFADRO O=C(NCc1ccnc(Br)c1)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000913079418 664320901 /nfs/dbraw/zinc/32/09/01/664320901.db2.gz BBFPMNSAZVIULX-INIZCTEOSA-N 1 0 389.297 2.768 20 0 GFADRO C[NH+]1C[C@]2(C)CN(C(=O)c3ccc4cncc(Br)c4n3)C[C@@]2(C)C1 ZINC000913269509 664330389 /nfs/dbraw/zinc/33/03/89/664330389.db2.gz CTPMGHJTPGSHBS-QZTJIDSGSA-N 1 0 389.297 2.806 20 0 GFADRO C[NH+]1C[C@@]2(C)CN(C(=O)c3cnn(C(C)(C)C)c3Br)C[C@]2(C)C1 ZINC000913274627 664330758 /nfs/dbraw/zinc/33/07/58/664330758.db2.gz ODWBOGQBDWDESD-IRXDYDNUSA-N 1 0 383.334 2.814 20 0 GFADRO C[NH+](C)CCn1nccc1C(=O)N[C@H](CCO)c1cc(Cl)cc(Cl)c1 ZINC000913335396 664332555 /nfs/dbraw/zinc/33/25/55/664332555.db2.gz SMMVYSCZUOXWHV-OAHLLOKOSA-N 1 0 385.295 2.605 20 0 GFADRO COCC[C@@H](Cc1cccc(Br)c1)C(=O)NC12CC[NH+](CC1)C2 ZINC000913630511 664346864 /nfs/dbraw/zinc/34/68/64/664346864.db2.gz BJTIPNCRQJXBJZ-HNNXBMFYSA-N 1 0 381.314 2.609 20 0 GFADRO CC[C@@H](Cc1cccc(Br)c1)C(=O)N1CCC(O)(C[NH+](C)C)CC1 ZINC000913680142 664349595 /nfs/dbraw/zinc/34/95/95/664349595.db2.gz GIPDWJJFMMLVAH-INIZCTEOSA-N 1 0 397.357 2.933 20 0 GFADRO C[NH+](C)CC1(O)CCN(C(=O)Cc2csc(-c3ccc(Cl)s3)n2)CC1 ZINC000913681025 664349643 /nfs/dbraw/zinc/34/96/43/664349643.db2.gz NLMGUCQDASFPRS-UHFFFAOYSA-N 1 0 399.969 2.983 20 0 GFADRO CN(Cc1ncc(Br)cn1)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000913838278 664360597 /nfs/dbraw/zinc/36/05/97/664360597.db2.gz HETCBPGWHNXRSO-UHFFFAOYSA-N 1 0 384.322 2.690 20 0 GFADRO O=S(=O)(C[C@@]12CC[N@H+](C1)CCC2)NCc1csc(-c2ccccc2)n1 ZINC000913884354 664363339 /nfs/dbraw/zinc/36/33/39/664363339.db2.gz QOKLHKJYSMSTCK-SFHVURJKSA-N 1 0 377.535 2.715 20 0 GFADRO C[C@H]1CCC[N@H+](CCNC(=O)N2CCC[C@H]2c2ncc(Br)cn2)C1 ZINC000914076024 664374603 /nfs/dbraw/zinc/37/46/03/664374603.db2.gz OAJIBXBFHHEMQU-ZFWWWQNUSA-N 1 0 396.333 2.818 20 0 GFADRO C[C@@H]1CCC[N@H+](CCNC(=O)N2CCC[C@H]2c2ncc(Br)cn2)C1 ZINC000914076022 664374647 /nfs/dbraw/zinc/37/46/47/664374647.db2.gz OAJIBXBFHHEMQU-HIFRSBDPSA-N 1 0 396.333 2.818 20 0 GFADRO C[C@@H]1CCC[N@H+](CCNC(=O)NC2(c3ncc(Br)cn3)CCC2)C1 ZINC000914076671 664374831 /nfs/dbraw/zinc/37/48/31/664374831.db2.gz GOLWAMYSHSDCGF-CYBMUJFWSA-N 1 0 396.333 2.649 20 0 GFADRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)S(=O)(=O)Cc1ccsc1Br ZINC000914178395 664383297 /nfs/dbraw/zinc/38/32/97/664383297.db2.gz KQZOXVKBFLBZAM-PWSUYJOCSA-N 1 0 381.361 2.612 20 0 GFADRO C[C@@H](CNC(=O)N1CCC[C@H]1c1ncc(Br)cn1)C[NH+]1CCCC1 ZINC000914243351 664389601 /nfs/dbraw/zinc/38/96/01/664389601.db2.gz JMCKQURZXLZBGW-ZFWWWQNUSA-N 1 0 396.333 2.818 20 0 GFADRO COc1cccc(Br)c1OS(=O)(=O)C[C@@]12CC[N@H+](C1)CCC2 ZINC000914256268 664391228 /nfs/dbraw/zinc/39/12/28/664391228.db2.gz BYBLIRXNHPTEJE-HNNXBMFYSA-N 1 0 390.299 2.652 20 0 GFADRO C[C@@H]1CCC[C@@](CNC(=O)N(C)Cc2ncc(Br)cn2)([NH+](C)C)C1 ZINC000914313748 664398015 /nfs/dbraw/zinc/39/80/15/664398015.db2.gz FJPNNACCNGAOFB-CXAGYDPISA-N 1 0 398.349 2.891 20 0 GFADRO O=C(NCC[NH+]1CCCCCC1)c1cn(-c2ccccc2Br)nn1 ZINC000914739614 664415021 /nfs/dbraw/zinc/41/50/21/664415021.db2.gz ZQOHIPZDUDXBIS-UHFFFAOYSA-N 1 0 392.301 2.636 20 0 GFADRO C[NH+](C)[C@@H]1CCCN(S(=O)(=O)Cc2cccc(F)c2Br)CC1 ZINC000914984995 664418706 /nfs/dbraw/zinc/41/87/06/664418706.db2.gz YJAMLLNIKBDWCM-CYBMUJFWSA-N 1 0 393.322 2.834 20 0 GFADRO COc1ccc([C@H](CNC(=O)NC[C@@H]2CC2(Cl)Cl)[NH+](C)C)cc1OC ZINC000915898066 664443796 /nfs/dbraw/zinc/44/37/96/664443796.db2.gz QBKBQMRQUKSDKC-STQMWFEESA-N 1 0 390.311 2.800 20 0 GFADRO CC[NH+]1CCC(CNC(=O)N2CCC[C@H]2c2ncc(Br)cn2)CC1 ZINC000916032063 664447580 /nfs/dbraw/zinc/44/75/80/664447580.db2.gz JJLLIXQSXXELRD-HNNXBMFYSA-N 1 0 396.333 2.818 20 0 GFADRO CC[N@H+](CCNC(=O)N1CCC[C@H]1c1ncc(Br)cn1)C(C)C ZINC000916165538 664452536 /nfs/dbraw/zinc/45/25/36/664452536.db2.gz UIXYRUXKZSYYNX-AWEZNQCLSA-N 1 0 384.322 2.816 20 0 GFADRO C[N@@H+]1CCC[C@H](CCNS(=O)(=O)Cc2ccc(F)cc2Br)C1 ZINC000916266296 664455663 /nfs/dbraw/zinc/45/56/63/664455663.db2.gz YLRIFASOIUQYIQ-GFCCVEGCSA-N 1 0 393.322 2.740 20 0 GFADRO CC[C@@H](C)[N@H+](C)CCNC(=O)NC1(c2ncc(Br)cn2)CCC1 ZINC000916361890 664458116 /nfs/dbraw/zinc/45/81/16/664458116.db2.gz QILHEIRXOYGBJF-GFCCVEGCSA-N 1 0 384.322 2.648 20 0 GFADRO C[N@H+](CCNC(=O)N1CCC[C@@H]1c1ncc(Br)cn1)C1CCCC1 ZINC000916971277 664474872 /nfs/dbraw/zinc/47/48/72/664474872.db2.gz DCCZZTRMLNOQSG-OAHLLOKOSA-N 1 0 396.333 2.960 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CNC(=S)NCCOc1cccc(Br)c1 ZINC000918162136 664496135 /nfs/dbraw/zinc/49/61/35/664496135.db2.gz GHWNMLYLDIIEMV-AWEZNQCLSA-N 1 0 386.359 2.776 20 0 GFADRO O=C(NC[C@H]1CC1(Cl)Cl)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000920185099 664523349 /nfs/dbraw/zinc/52/33/49/664523349.db2.gz LJWQPFIUPVTRFO-CQSZACIVSA-N 1 0 384.307 2.573 20 0 GFADRO CC(C)CNC(=O)NC(=O)C[N@@H+]1CCC[C@@H]1Cc1ccc(Br)cc1 ZINC000920762245 664530892 /nfs/dbraw/zinc/53/08/92/664530892.db2.gz UDQXXFVESIUCRU-MRXNPFEDSA-N 1 0 396.329 2.938 20 0 GFADRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)NC2(c3ncc(Br)cn3)CCC2)C1 ZINC000921330065 664541828 /nfs/dbraw/zinc/54/18/28/664541828.db2.gz BNNWGLAOOMKJMT-KBPBESRZSA-N 1 0 396.333 2.790 20 0 GFADRO C[N@H+](Cc1ccccc1)C1(CNS(=O)(=O)c2ccsc2)CCOCC1 ZINC000921634408 664558629 /nfs/dbraw/zinc/55/86/29/664558629.db2.gz UWJASEYSHHZQMO-UHFFFAOYSA-N 1 0 380.535 2.708 20 0 GFADRO COc1ccc(C[NH2+]CC2CCN(S(=O)(=O)C(F)(F)F)CC2)c(C)c1 ZINC000921729152 664564949 /nfs/dbraw/zinc/56/49/49/664564949.db2.gz INMSOOGYXMQCPQ-UHFFFAOYSA-N 1 0 380.432 2.655 20 0 GFADRO O=C(NCC[NH2+]Cc1cnn(C2CCC2)c1)c1cccc(Br)c1 ZINC000921738241 664565695 /nfs/dbraw/zinc/56/56/95/664565695.db2.gz CCOWBZCMJOHIHA-UHFFFAOYSA-N 1 0 377.286 2.890 20 0 GFADRO O=C(NCC[NH2+][C@@H]1CC[C@@H]2COCC[C@@H]2C1)c1cccc(Br)c1 ZINC000921739006 664565850 /nfs/dbraw/zinc/56/58/50/664565850.db2.gz LJRXERUXVVVQCO-FRFSOERESA-N 1 0 381.314 2.974 20 0 GFADRO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)NCc1cn(C)nc1Br ZINC000921818756 664570518 /nfs/dbraw/zinc/57/05/18/664570518.db2.gz KSKACLQPBZZTRC-CYBMUJFWSA-N 1 0 394.317 2.502 20 0 GFADRO C[C@@H](NC(=O)NCc1cn(C)nc1Br)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000921877221 664574555 /nfs/dbraw/zinc/57/45/55/664574555.db2.gz CSSQFQOQLIAMPH-OLZOCXBDSA-N 1 0 398.349 2.635 20 0 GFADRO COCCOC1(C[NH2+]Cc2nc(C)c(Br)s2)CCOCC1 ZINC000922153665 664588048 /nfs/dbraw/zinc/58/80/48/664588048.db2.gz HMRIWQCFUUAAHX-UHFFFAOYSA-N 1 0 379.320 2.516 20 0 GFADRO CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NCc1ncc(Br)cc1F)C2 ZINC000922389644 664598521 /nfs/dbraw/zinc/59/85/21/664598521.db2.gz IWNZNCHJSVRWEB-MWQQHZPXSA-N 1 0 386.309 2.553 20 0 GFADRO Cc1c(Br)cncc1C[NH2+][C@@H]1CCCC[C@@H]1CC1N=NC(=O)N1C ZINC000922405680 664600041 /nfs/dbraw/zinc/60/00/41/664600041.db2.gz ZENLBWSWSNXWGU-IUODEOHRSA-N 1 0 394.317 2.878 20 0 GFADRO CS(=O)(=O)C1CCC(C[NH2+]Cc2c(F)cncc2Br)CC1 ZINC000922417115 664600695 /nfs/dbraw/zinc/60/06/95/664600695.db2.gz INSUVCXZEUGLRW-UHFFFAOYSA-N 1 0 379.295 2.676 20 0 GFADRO COc1nsc(C[NH2+]CC2CCC(S(C)(=O)=O)CC2)c1Br ZINC000922417039 664600726 /nfs/dbraw/zinc/60/07/26/664600726.db2.gz GUTUHBVBQOFHOZ-UHFFFAOYSA-N 1 0 397.360 2.607 20 0 GFADRO COc1ccc(C[NH2+]CC2CCC(S(C)(=O)=O)CC2)cc1OC(F)F ZINC000922421888 664601027 /nfs/dbraw/zinc/60/10/27/664601027.db2.gz PSKMCWDKBCFLMR-UHFFFAOYSA-N 1 0 377.453 2.990 20 0 GFADRO Brc1ccc2ncc(C[NH2+][C@@H]3CCCN4CCSC[C@@H]34)n2c1 ZINC000922523385 664605562 /nfs/dbraw/zinc/60/55/62/664605562.db2.gz LJPBQKYWXOCERE-CABCVRRESA-N 1 0 381.343 2.766 20 0 GFADRO CSC1(CNC(=O)N2CC[C@@]3(CC(F)(F)C3(F)F)C2)CC[NH+](C)CC1 ZINC000922530030 664605815 /nfs/dbraw/zinc/60/58/15/664605815.db2.gz RRWDLFSPKUDFTO-CYBMUJFWSA-N 1 0 383.455 2.890 20 0 GFADRO OC1(C2(C[NH2+]Cc3cc4c(c(Br)c3)OCO4)CC2)CCOCC1 ZINC000922597120 664607839 /nfs/dbraw/zinc/60/78/39/664607839.db2.gz KIRVCZIIBBHBJX-UHFFFAOYSA-N 1 0 384.270 2.589 20 0 GFADRO COc1sc(C[NH2+]CC2(O)CCC3(CC2)OCCO3)cc1Br ZINC000922625035 664608906 /nfs/dbraw/zinc/60/89/06/664608906.db2.gz XQAQVHCNDLWKLH-UHFFFAOYSA-N 1 0 392.315 2.657 20 0 GFADRO NS(=O)(=O)c1cc(C[NH2+]C[C@H]2CCC[C@H](C(F)(F)F)O2)ccc1Cl ZINC000922694582 664611141 /nfs/dbraw/zinc/61/11/41/664611141.db2.gz DEOONVMHJGSARU-ZWNOBZJWSA-N 1 0 386.823 2.577 20 0 GFADRO CCO[C@@H](CNCc1cc(OC)c(OC)cc1Br)C[NH+](C)C ZINC000922761201 664613840 /nfs/dbraw/zinc/61/38/40/664613840.db2.gz PHNPAAGGZOXYLF-ZDUSSCGKSA-N 1 0 375.307 2.523 20 0 GFADRO O=C1C[C@H](CC[NH2+]C2CCN(Cc3ccccc3Br)CC2)CN1 ZINC000922781837 664614360 /nfs/dbraw/zinc/61/43/60/664614360.db2.gz DYVOQKVWNSEION-AWEZNQCLSA-N 1 0 380.330 2.529 20 0 GFADRO Brc1ccc(C[NH2+]CC2CC3(C2)OCCO3)c(N2CCOCC2)c1 ZINC000922798884 664614698 /nfs/dbraw/zinc/61/46/98/664614698.db2.gz JUVQDUBULDOMLQ-UHFFFAOYSA-N 1 0 397.313 2.528 20 0 GFADRO Nc1c(Br)cc(Br)cc1C[NH2+]CCO[C@@H]1CCOC1 ZINC000922936047 664619402 /nfs/dbraw/zinc/61/94/02/664619402.db2.gz XFSXAPLXJJNCPT-LLVKDONJSA-N 1 0 394.107 2.689 20 0 GFADRO Cc1nn(-c2ccccc2Br)cc1C[NH2+]CCO[C@@H]1CCOC1 ZINC000922936460 664619415 /nfs/dbraw/zinc/61/94/15/664619415.db2.gz HDGGSPHOCYELJP-OAHLLOKOSA-N 1 0 380.286 2.838 20 0 GFADRO O=C(Nc1cc(Br)cc2c1NC(=O)CO2)C12CCC[NH+](CCC1)C2 ZINC000923026551 664621631 /nfs/dbraw/zinc/62/16/31/664621631.db2.gz UTAOKHUZUQYJFY-UHFFFAOYSA-N 1 0 394.269 2.595 20 0 GFADRO C[C@@H]1C[NH2+]C[C@H](C)N1C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000923332181 664628470 /nfs/dbraw/zinc/62/84/70/664628470.db2.gz ICTZGPPRUCJVBI-NTZNESFSSA-N 1 0 377.710 2.524 20 0 GFADRO [NH3+]C[C@@H]1CN(C[C@@H](O)COc2c(Cl)cccc2Cl)C[C@H]1C(F)(F)F ZINC000923426225 664630199 /nfs/dbraw/zinc/63/01/99/664630199.db2.gz OFAYXVQYQXEBAJ-GMTAPVOTSA-N 1 0 387.229 2.802 20 0 GFADRO C[C@H]1C[NH2+][C@@H](C)[C@H](C)N1CC(=O)Nc1c(F)cc(F)cc1Br ZINC000923446199 664630727 /nfs/dbraw/zinc/63/07/27/664630727.db2.gz XNUPFQXAPSZLGX-GUBZILKMSA-N 1 0 376.245 2.737 20 0 GFADRO C[C@@H]1CN(CC(=O)Nc2c(F)cc(F)cc2Br)CC[C@H]1C[NH3+] ZINC000923500498 664631429 /nfs/dbraw/zinc/63/14/29/664631429.db2.gz PDRNLTKJIYQRPJ-ZJUUUORDSA-N 1 0 376.245 2.583 20 0 GFADRO [NH3+]C[C@@H]1CC2(CO1)CCN(S(=O)(=O)c1cc(Cl)cc(Cl)c1)CC2 ZINC000923686964 664635666 /nfs/dbraw/zinc/63/56/66/664635666.db2.gz RNAGNKQMIGUVCK-ZDUSSCGKSA-N 1 0 379.309 2.512 20 0 GFADRO C[N@@H+](Cc1cccnc1)C[C@@H]1CCN(C(=O)NCc2cnc(Cl)s2)C1 ZINC000923688520 664635775 /nfs/dbraw/zinc/63/57/75/664635775.db2.gz DLHFZQQXHNPNEQ-AWEZNQCLSA-N 1 0 379.917 2.855 20 0 GFADRO O=C(NCc1cnc(Cl)s1)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000923688215 664635830 /nfs/dbraw/zinc/63/58/30/664635830.db2.gz DNSCENWQXFKOJA-UHFFFAOYSA-N 1 0 386.949 2.831 20 0 GFADRO C[C@H]1CN(S(=O)(=O)c2cc(Br)sc2Cl)CC[C@@H]1C[NH3+] ZINC000923701389 664636313 /nfs/dbraw/zinc/63/63/13/664636313.db2.gz HJVXTPJIYMJNSP-JGVFFNPUSA-N 1 0 387.752 2.769 20 0 GFADRO [NH3+]CC[C@H]1CCN(S(=O)(=O)Cc2ccc(Cl)cc2Br)C1 ZINC000923699284 664636370 /nfs/dbraw/zinc/63/63/70/664636370.db2.gz LIMZWJBSUJNEJO-JTQLQIEISA-N 1 0 381.723 2.603 20 0 GFADRO C[C@@H]1CN(S(=O)(=O)c2cccc(Br)c2Cl)CC[C@H]1C[NH3+] ZINC000923704129 664636431 /nfs/dbraw/zinc/63/64/31/664636431.db2.gz RNBMAMCRKDPHCN-ZJUUUORDSA-N 1 0 381.723 2.708 20 0 GFADRO [NH3+]CC[C@@H]1Cc2ccccc2N(S(=O)(=O)c2c(Cl)nc3sccn32)C1 ZINC000923747199 664637694 /nfs/dbraw/zinc/63/76/94/664637694.db2.gz VULWQLFTLWHHJV-LLVKDONJSA-N 1 0 396.925 2.766 20 0 GFADRO Cn1cc(Br)c(C(=O)O[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1=O ZINC000923949979 664641095 /nfs/dbraw/zinc/64/10/95/664641095.db2.gz VYJHUBSQKSSHIY-CQSZACIVSA-N 1 0 391.265 2.579 20 0 GFADRO CC(C)c1ncc(Br)c(-c2nc([C@H]3C[N@@H+]4CCC[C@@H]4CO3)no2)n1 ZINC000923961714 664641856 /nfs/dbraw/zinc/64/18/56/664641856.db2.gz XRUFQDHHSWYLJR-ZYHUDNBSSA-N 1 0 394.273 2.948 20 0 GFADRO COc1cc(-c2noc(COC3CC[NH+](C)CC3)n2)cc(Br)c1O ZINC000924004937 664644151 /nfs/dbraw/zinc/64/41/51/664644151.db2.gz CQQZHLTZXMFDAR-UHFFFAOYSA-N 1 0 398.257 2.824 20 0 GFADRO C[C@H]([NH2+]CCc1ccc(C(F)(F)F)cc1)C1CCN(S(C)(=O)=O)CC1 ZINC000924560165 664657737 /nfs/dbraw/zinc/65/77/37/664657737.db2.gz VZSAADARSGGCRE-ZDUSSCGKSA-N 1 0 378.460 2.898 20 0 GFADRO C[C@H]([NH2+]Cc1ccc(Br)s1)C1CCN(S(C)(=O)=O)CC1 ZINC000924801368 664662118 /nfs/dbraw/zinc/66/21/18/664662118.db2.gz CMMAGPWVXKCFIT-JTQLQIEISA-N 1 0 381.361 2.660 20 0 GFADRO C[C@@H]([NH2+]CCc1ccc(Cl)s1)c1ccc(S(=O)(=O)CC(N)=O)cc1 ZINC000924821895 664662302 /nfs/dbraw/zinc/66/23/02/664662302.db2.gz RKUDRMIXRXBWMX-LLVKDONJSA-N 1 0 386.926 2.554 20 0 GFADRO C[C@@H]([NH2+]C[C@H](O)c1ccc(Cl)cc1Cl)C1CCN(S(C)(=O)=O)CC1 ZINC000925030362 664665607 /nfs/dbraw/zinc/66/56/07/664665607.db2.gz WFMIXSMYZSYUBT-BZNIZROVSA-N 1 0 395.352 2.677 20 0 GFADRO Brc1ccccc1N1CC[C@@H]([NH2+][C@H]2CCOC23CCOCC3)C1 ZINC000925034338 664665822 /nfs/dbraw/zinc/66/58/22/664665822.db2.gz MTHHVKWXIYWNFK-PBHICJAKSA-N 1 0 381.314 2.956 20 0 GFADRO CC[N@@H+]1CC[C@@H]1CN1C(=O)CN([C@@H](C)c2cccc(Br)c2)C1=O ZINC000925095483 664666832 /nfs/dbraw/zinc/66/68/32/664666832.db2.gz IQKSOBRRCDXICX-SWLSCSKDSA-N 1 0 380.286 2.869 20 0 GFADRO O=S(=O)(N1CCC([NH2+][C@@H](c2ccccn2)C2CCC2)CC1)C(F)(F)F ZINC000925268018 664669606 /nfs/dbraw/zinc/66/96/06/664669606.db2.gz WTJYKKZEXGHRET-OAHLLOKOSA-N 1 0 377.432 2.826 20 0 GFADRO C[N@@H+]1CCC[C@@H](N2C(=O)N[C@H](c3ccc(Br)c(Cl)c3)C2=O)C1 ZINC000925290858 664669932 /nfs/dbraw/zinc/66/99/32/664669932.db2.gz FLDSGBKAOOSPOG-ZWNOBZJWSA-N 1 0 386.677 2.790 20 0 GFADRO C[C@@H]([NH2+]CC1CCN(S(=O)(=O)C(F)F)CC1)c1cnn(C2CCC2)c1 ZINC000925395951 664671940 /nfs/dbraw/zinc/67/19/40/664671940.db2.gz JMYQRQCTTRYBFC-GFCCVEGCSA-N 1 0 376.473 2.523 20 0 GFADRO COc1ccnc([C@@H](C)[NH2+]CCNC(=O)c2cccc(Br)c2)c1 ZINC000925399151 664671969 /nfs/dbraw/zinc/67/19/69/664671969.db2.gz DNQWMYZTHFRMNY-GFCCVEGCSA-N 1 0 378.270 2.933 20 0 GFADRO CCC[C@@H]([NH2+]CC[C@H]1CNCCS1(=O)=O)c1cccc(C(F)(F)F)c1 ZINC000925796089 664674906 /nfs/dbraw/zinc/67/49/06/664674906.db2.gz NZRNZSMFGPGDSH-JKSUJKDBSA-N 1 0 378.460 2.913 20 0 GFADRO OCC[NH+]1CCC(N[C@H](c2ccc(Br)cc2)c2cccnc2)CC1 ZINC000925829736 664675436 /nfs/dbraw/zinc/67/54/36/664675436.db2.gz GKRFKKWNPRKSSK-LJQANCHMSA-N 1 0 390.325 2.980 20 0 GFADRO C[C@H]1CN(C(=O)Nc2cc3c(cc2Br)OCCO3)CC[C@H]1C[NH3+] ZINC000925909432 664677301 /nfs/dbraw/zinc/67/73/01/664677301.db2.gz IGNDAXSAXAMMRA-QWRGUYRKSA-N 1 0 384.274 2.669 20 0 GFADRO CCOC(=O)c1cc(NC(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)ccc1Cl ZINC000925971963 664678503 /nfs/dbraw/zinc/67/85/03/664678503.db2.gz WGZHUSXZMQNDNU-ZYHUDNBSSA-N 1 0 379.766 2.870 20 0 GFADRO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(C(=O)Nc1cccc(C)c1Br)C2 ZINC000926093602 664681582 /nfs/dbraw/zinc/68/15/82/664681582.db2.gz TYVUXBYFJMCUGO-JKDFXYPNSA-N 1 0 396.285 2.502 20 0 GFADRO [NH3+]C1CCN(CCNC(=O)Nc2cccc(Cl)c2Br)CC1 ZINC000926102344 664681701 /nfs/dbraw/zinc/68/17/01/664681701.db2.gz HRQUDRFERAHZBH-UHFFFAOYSA-N 1 0 375.698 2.647 20 0 GFADRO [NH3+][C@@H]1CN(C(=O)Nc2nc(C3CCOCC3)cs2)CC[C@@H]1C(F)(F)F ZINC000926113898 664682068 /nfs/dbraw/zinc/68/20/68/664682068.db2.gz BWKCOAHBBGLYDK-WDEREUQCSA-N 1 0 378.420 2.781 20 0 GFADRO Cc1ncc(Br)cc1NC(=O)N1CC[C@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000926131969 664682542 /nfs/dbraw/zinc/68/25/42/664682542.db2.gz CSCGGRXCUQAGRZ-UWVGGRQHSA-N 1 0 381.196 2.896 20 0 GFADRO [NH3+]C1CCN(CCNC(=O)Nc2cc(Cl)c(Br)cc2F)CC1 ZINC000926180860 664684162 /nfs/dbraw/zinc/68/41/62/664684162.db2.gz RNZQQVCDFUGRMI-UHFFFAOYSA-N 1 0 393.688 2.786 20 0 GFADRO CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NC(=O)c1csc(Br)c1)C2 ZINC000926182595 664684238 /nfs/dbraw/zinc/68/42/38/664684238.db2.gz ICDKWBCGAYBQCL-ZNEHSRBWSA-N 1 0 387.343 2.720 20 0 GFADRO [NH3+]CCN(Cc1cccc(Cl)c1)C(=O)N[C@@H]([C@@H]1CCOC1)C(F)(F)F ZINC000926209374 664684768 /nfs/dbraw/zinc/68/47/68/664684768.db2.gz MXVHUGFJQMUUIW-OCCSQVGLSA-N 1 0 379.810 2.778 20 0 GFADRO O=C(Nc1ccc(I)c(Cl)c1)NC1CC[NH2+]CC1 ZINC000926218436 664684853 /nfs/dbraw/zinc/68/48/53/664684853.db2.gz DKGCTMBBTLKUDV-UHFFFAOYSA-N 1 0 379.629 2.818 20 0 GFADRO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NC(=O)C[C@]3(C)CC3(Cl)Cl)C2)[C@H]1C(C)C ZINC000926238180 664684951 /nfs/dbraw/zinc/68/49/51/664684951.db2.gz WQIJNWYSSIOPEB-HSMRXVHUSA-N 1 0 377.356 2.946 20 0 GFADRO OC[C@@H](C[NH2+][C@H]1CCOC12CCOCC2)Cc1ccc(Br)cc1 ZINC000926281785 664686055 /nfs/dbraw/zinc/68/60/55/664686055.db2.gz BATSWWMLOBDNQC-WBVHZDCISA-N 1 0 384.314 2.528 20 0 GFADRO O=S(=O)(c1ccccc1)N1CC[C@H]([NH2+][C@H]2CCc3c2nccc3Cl)C1 ZINC000926428592 664689891 /nfs/dbraw/zinc/68/98/91/664689891.db2.gz CODSXHVNJVFONI-GUYCJALGSA-N 1 0 377.897 2.775 20 0 GFADRO C[C@H]([NH2+]CCCn1cc(Br)cn1)c1cccc(-n2cnnc2)c1 ZINC000926433437 664689918 /nfs/dbraw/zinc/68/99/18/664689918.db2.gz ODIZYKFRMNSSGQ-ZDUSSCGKSA-N 1 0 375.274 2.967 20 0 GFADRO Cc1c(Br)cccc1C[C@H](CO)C[NH2+][C@@H]1C[C@@H](C)n2ncnc21 ZINC000926544818 664692350 /nfs/dbraw/zinc/69/23/50/664692350.db2.gz QYJYVKAUJISRQM-PVXIVEMSSA-N 1 0 379.302 2.796 20 0 GFADRO C[C@H]([NH2+]CC(C)(C)[C@@H]1COCC12OCCO2)c1cccc(Br)n1 ZINC000926570212 664692584 /nfs/dbraw/zinc/69/25/84/664692584.db2.gz MVXCFLQBVKBUBY-JSGCOSHPSA-N 1 0 385.302 2.910 20 0 GFADRO CC[C@@H](C[NH2+][C@@H](C)c1ccc(S(=O)(=O)CC(N)=O)cc1)CC(F)(F)F ZINC000926585929 664692917 /nfs/dbraw/zinc/69/29/17/664692917.db2.gz ANXDJWKDIVHPPM-NWDGAFQWSA-N 1 0 380.432 2.575 20 0 GFADRO CCO[C@@H](CNC(=O)N(C)Cc1cc(Br)cs1)C[NH+](C)C ZINC000926830743 664697445 /nfs/dbraw/zinc/69/74/45/664697445.db2.gz PBCNGNQISDEDHG-LBPRGKRZSA-N 1 0 378.336 2.619 20 0 GFADRO CCO[C@@H](CNC(=O)N1CCc2sc(Br)cc2C1)C[NH+](C)C ZINC000926837434 664697651 /nfs/dbraw/zinc/69/76/51/664697651.db2.gz NZNMVLBXKAHELV-LBPRGKRZSA-N 1 0 390.347 2.545 20 0 GFADRO C[C@H]([NH2+]CCN1Cc2ccccc2OCC1=O)c1cccc(Br)n1 ZINC000926882962 664698471 /nfs/dbraw/zinc/69/84/71/664698471.db2.gz GCTBOEGZJAWVAX-ZDUSSCGKSA-N 1 0 390.281 2.916 20 0 GFADRO CO[C@]1(C[NH2+]C(CCC(F)(F)F)CCC(F)(F)F)CCS(=O)(=O)C1 ZINC000926900020 664698687 /nfs/dbraw/zinc/69/86/87/664698687.db2.gz PXSGFFIUOVQUNX-NSHDSACASA-N 1 0 385.370 2.833 20 0 GFADRO COc1cc(Br)cc(C[NH2+][C@H]2CCCC[C@H]2S(C)(=O)=O)c1 ZINC000926904209 664698888 /nfs/dbraw/zinc/69/88/88/664698888.db2.gz WPSBIXPCPZDACQ-LSDHHAIUSA-N 1 0 376.316 2.903 20 0 GFADRO O=S1(=O)CC[C@@H]([NH2+]C[C@H]2CCCN2CC(F)(F)F)c2cc(F)ccc21 ZINC000926923630 664699164 /nfs/dbraw/zinc/69/91/64/664699164.db2.gz XHCBNEHPKQAGEM-TZMCWYRMSA-N 1 0 380.407 2.661 20 0 GFADRO C[C@H]([NH2+]C[C@@H]1CCCN1CC(F)(F)F)c1cccc(NS(C)(=O)=O)c1 ZINC000926927709 664699237 /nfs/dbraw/zinc/69/92/37/664699237.db2.gz WRIFCXYXPRRMJX-WFASDCNBSA-N 1 0 379.448 2.735 20 0 GFADRO Cc1cc([C@@H](Cc2ccccc2Cl)[NH2+]C[C@H](O)CS(C)(=O)=O)cs1 ZINC000927021164 664702224 /nfs/dbraw/zinc/70/22/24/664702224.db2.gz BBFYWZGUBKWEMU-DOTOQJQBSA-N 1 0 387.954 2.989 20 0 GFADRO C[C@H]([NH2+][C@H]1CCS[C@H](C)C1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000927030348 664702687 /nfs/dbraw/zinc/70/26/87/664702687.db2.gz HVRFVMUKNYCLDL-VYDXJSESSA-N 1 0 384.567 2.642 20 0 GFADRO COc1ccc(CC(=O)N[C@H]2CCC[N@@H+]3CCSC[C@@H]23)c(Cl)c1OC ZINC000928079536 664721851 /nfs/dbraw/zinc/72/18/51/664721851.db2.gz JAUYGTLHZWZZSH-KBPBESRZSA-N 1 0 384.929 2.596 20 0 GFADRO COc1cc(C(=O)N[C@@H](CC[NH+](C)C)c2cccnc2)cnc1Br ZINC000928832104 664740662 /nfs/dbraw/zinc/74/06/62/664740662.db2.gz PTHKQOOJCSVVBC-AWEZNQCLSA-N 1 0 393.285 2.671 20 0 GFADRO Cc1cc(I)ccc1NC(=O)COC1CC[NH+](C)CC1 ZINC000929153174 664747182 /nfs/dbraw/zinc/74/71/82/664747182.db2.gz RSUJKBGRGDXUJY-UHFFFAOYSA-N 1 0 388.249 2.649 20 0 GFADRO Cc1cc(NC(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)ccc1Br ZINC000929172861 664747612 /nfs/dbraw/zinc/74/76/12/664747612.db2.gz KTNODIALPYFAHY-HZPDHXFCSA-N 1 0 382.302 2.820 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000929300891 664749658 /nfs/dbraw/zinc/74/96/58/664749658.db2.gz RLPORXKAIDUPAE-HOTGVXAUSA-N 1 0 382.302 2.820 20 0 GFADRO O[C@@H](CCC1(O)CCC1)CN1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000929343322 664750710 /nfs/dbraw/zinc/75/07/10/664750710.db2.gz ABVSFPROVZERQB-IRXDYDNUSA-N 1 0 384.314 2.879 20 0 GFADRO C[NH+](C)CC(C)(C)CNC(=O)C[C@@H]1C(=O)Nc2c1cccc2Br ZINC000929460187 664752638 /nfs/dbraw/zinc/75/26/38/664752638.db2.gz XOBVHVNOHIVFCI-LBPRGKRZSA-N 1 0 382.302 2.579 20 0 GFADRO CCOC(=O)[C@@H](c1nc(Br)sc1C)N1CCC[C@H]([NH+](C)C)C1 ZINC000929486109 664753177 /nfs/dbraw/zinc/75/31/77/664753177.db2.gz ATIYDBGDXQCHAX-WCQYABFASA-N 1 0 390.347 2.844 20 0 GFADRO C[C@@H]1C[NH+](CCCNC(=O)c2cc(Br)cnc2C2CC2)C[C@@H](C)O1 ZINC000929631144 664755101 /nfs/dbraw/zinc/75/51/01/664755101.db2.gz OHWOLZKECAMBAS-CHWSQXEVSA-N 1 0 396.329 2.951 20 0 GFADRO Brc1cccc(C2([NH2+]C[C@@H]3C[C@H]4COC[C@@H]4O3)CCOCC2)c1 ZINC000929895699 664759255 /nfs/dbraw/zinc/75/92/55/664759255.db2.gz SXULCZPNLOBWMZ-JQFCIGGWSA-N 1 0 382.298 2.848 20 0 GFADRO Cc1c(Br)cc(F)cc1C(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000930205757 664764417 /nfs/dbraw/zinc/76/44/17/664764417.db2.gz VTCHHFTUZWQYEW-UHFFFAOYSA-N 1 0 386.309 2.654 20 0 GFADRO C[C@@H]([NH2+]C[C@H]1CCC2(COC2)O1)c1cc2c(cc1Br)OCCO2 ZINC000930207577 664764583 /nfs/dbraw/zinc/76/45/83/664764583.db2.gz AVKCJHAUGATUOU-VXGBXAGGSA-N 1 0 384.270 2.819 20 0 GFADRO NC(=O)C1([NH2+]C[C@H](O)c2ccc(-c3ccc(Br)cc3)cc2)CC1 ZINC000930244728 664765054 /nfs/dbraw/zinc/76/50/54/664765054.db2.gz UUEMMCGJXYLYTL-INIZCTEOSA-N 1 0 375.266 2.757 20 0 GFADRO O=C(NC[C@H]1CC[N@@H+]1C1CCOCC1)Nc1cc(F)ccc1Br ZINC000930350765 664767819 /nfs/dbraw/zinc/76/78/19/664767819.db2.gz LDWHUBXBDQUPRI-CYBMUJFWSA-N 1 0 386.265 2.963 20 0 GFADRO Brc1ccc(C[N@H+](CCn2ccnc2)C[C@@H]2C[C@@H]3COC[C@H]3O2)o1 ZINC000930447460 664770686 /nfs/dbraw/zinc/77/06/86/664770686.db2.gz YOJGITSLTHOPEU-VNQPRFMTSA-N 1 0 396.285 2.545 20 0 GFADRO Cc1nnc(CC[NH2+][C@H](C)c2ccc(Br)cc2OCCCO)o1 ZINC000930533029 664772540 /nfs/dbraw/zinc/77/25/40/664772540.db2.gz ZSRGUNNPWIPCGL-LLVKDONJSA-N 1 0 384.274 2.795 20 0 GFADRO O=C(Nc1csc(-c2ccccn2)n1)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000930754573 664777686 /nfs/dbraw/zinc/77/76/86/664777686.db2.gz CBAZHUYADMUIFU-OCCSQVGLSA-N 1 0 375.523 2.906 20 0 GFADRO CC[NH+](CC)[C@H](CNC(=O)c1cc(=O)n(C)cc1Br)c1ccco1 ZINC000930917196 664780861 /nfs/dbraw/zinc/78/08/61/664780861.db2.gz QHXCJWSZVZLRSY-CQSZACIVSA-N 1 0 396.285 2.554 20 0 GFADRO COC(=O)c1cccc(NC(=O)N2CCC23CC[NH+](C)CC3)c1Br ZINC000931085938 664784970 /nfs/dbraw/zinc/78/49/70/664784970.db2.gz DABZQRGJDIDZDZ-UHFFFAOYSA-N 1 0 396.285 2.938 20 0 GFADRO Cn1nc(C(F)(F)F)c(CN2CCC([N@@H+]3CCCOCC3)CC2)c1Cl ZINC000931285626 664790518 /nfs/dbraw/zinc/79/05/18/664790518.db2.gz BBFSDLBBBFPSLO-UHFFFAOYSA-N 1 0 380.842 2.779 20 0 GFADRO O[C@@H](CCC1(O)CCC1)C[N@@H+]1CC[C@@H](O)[C@H]1c1ccc(Br)cc1 ZINC000931332699 664792010 /nfs/dbraw/zinc/79/20/10/664792010.db2.gz RIQUEOGPXUYOES-GVDBMIGSSA-N 1 0 384.314 2.613 20 0 GFADRO O[C@H](CN1CC[NH+](CCc2ccncc2)CC1)c1cccc(Br)c1 ZINC000931347089 664792333 /nfs/dbraw/zinc/79/23/33/664792333.db2.gz OUZZLDATXJAPMH-LJQANCHMSA-N 1 0 390.325 2.738 20 0 GFADRO CC(=O)N1CCC([N@H+](C)C[C@H](O)COc2cc(Cl)cc(Cl)c2)CC1 ZINC000931380756 664793196 /nfs/dbraw/zinc/79/31/96/664793196.db2.gz QGXUGPQLRQENRF-INIZCTEOSA-N 1 0 375.296 2.676 20 0 GFADRO C[N@H+](C[C@H](O)CCC1(O)CCC1)C[C@@H](O)COc1cc(Cl)cc(Cl)c1 ZINC000931381287 664793264 /nfs/dbraw/zinc/79/32/64/664793264.db2.gz YHIZRMLTPDZBRO-HZPDHXFCSA-N 1 0 392.323 2.721 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(Cc3nc(-c4cc(Br)cs4)no3)C[C@@H]2C1 ZINC000931434633 664794906 /nfs/dbraw/zinc/79/49/06/664794906.db2.gz XWJXVAPFFTULGV-MNOVXSKESA-N 1 0 383.315 2.944 20 0 GFADRO O=C(CCN1CC[NH+](CCCCCO)CC1)Nc1cccc(Br)c1 ZINC000931498018 664796538 /nfs/dbraw/zinc/79/65/38/664796538.db2.gz ZZDZKWULSUPVAW-UHFFFAOYSA-N 1 0 398.345 2.558 20 0 GFADRO CCO[C@@H](CNC(=O)Nc1cccc(-c2nnsc2Cl)c1)C[NH+](C)C ZINC000931937440 664807456 /nfs/dbraw/zinc/80/74/56/664807456.db2.gz FEZMOMOZIQAZEJ-ZDUSSCGKSA-N 1 0 383.905 2.947 20 0 GFADRO COc1cc(Br)ccc1NC(=O)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000932178360 664812061 /nfs/dbraw/zinc/81/20/61/664812061.db2.gz ZJSASIDMWSZVNI-AWEZNQCLSA-N 1 0 398.301 2.833 20 0 GFADRO O=C(c1cnn2cccc(Br)c12)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000932237417 664815598 /nfs/dbraw/zinc/81/55/98/664815598.db2.gz GDQZFADIWXKMGC-ZDUSSCGKSA-N 1 0 377.286 2.797 20 0 GFADRO O=C(Nc1cccc(F)c1Br)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000932420667 664822048 /nfs/dbraw/zinc/82/20/48/664822048.db2.gz DUSXIXKBOIQIBM-KGLIPLIRSA-N 1 0 386.265 2.651 20 0 GFADRO C[NH+](C)CC1CCN(C(=O)C[C@@H]2C(=O)Nc3c2cccc3Br)CC1 ZINC000932713460 664832424 /nfs/dbraw/zinc/83/24/24/664832424.db2.gz STBNFGAJDFKKIK-AWEZNQCLSA-N 1 0 394.313 2.675 20 0 GFADRO CC(C)[C@@H](C[NH+](C)C)NC(=O)c1cc(Br)cnc1Br ZINC000932713539 664832717 /nfs/dbraw/zinc/83/27/17/664832717.db2.gz MOAHIGRXHNMTOW-LLVKDONJSA-N 1 0 393.123 2.923 20 0 GFADRO C[NH+](C)C[C@H]1CCN(C(=O)c2cc3ccc(Br)cc3c(=O)o2)C1 ZINC000932795068 664838959 /nfs/dbraw/zinc/83/89/59/664838959.db2.gz HHEVNRPXBATKCX-LLVKDONJSA-N 1 0 379.254 2.579 20 0 GFADRO O[C@@]1(c2ccc(Br)cc2)CCC[N@H+](C[C@@H]2CCc3ncnn32)C1 ZINC000932815104 664839904 /nfs/dbraw/zinc/83/99/04/664839904.db2.gz LIRMIOXMGXODDU-RDJZCZTQSA-N 1 0 377.286 2.512 20 0 GFADRO NS(=O)(=O)C[C@H]1CC[N@H+](CCSc2ccnc3cc(Cl)ccc32)C1 ZINC000932950345 664844718 /nfs/dbraw/zinc/84/47/18/664844718.db2.gz AJSUKWJEVMVLDY-LBPRGKRZSA-N 1 0 385.942 2.591 20 0 GFADRO CC[C@](C)(O)C(=O)NC1CC[NH+](CCOc2ccc(Br)cc2)CC1 ZINC000933161611 664851242 /nfs/dbraw/zinc/85/12/42/664851242.db2.gz MMCVQWPYBZJTRZ-SFHVURJKSA-N 1 0 399.329 2.570 20 0 GFADRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C[C@@H]1C(=O)Nc2ccc(Br)cc21 ZINC000933436639 664863801 /nfs/dbraw/zinc/86/38/01/664863801.db2.gz VDYWDYWPVKKSSA-DIOULYMOSA-N 1 0 394.313 2.674 20 0 GFADRO Cc1cc(NC(=O)CC[NH2+][C@](C)(CO)Cc2ccc(Br)cc2)no1 ZINC000933438751 664864234 /nfs/dbraw/zinc/86/42/34/664864234.db2.gz ZOWJAXMFNJITQY-KRWDZBQOSA-N 1 0 396.285 2.657 20 0 GFADRO Cc1cc(C(=O)N2CCC(OCCC[NH+](C)C)CC2)cnc1Br ZINC000934165100 664891332 /nfs/dbraw/zinc/89/13/32/664891332.db2.gz QYXCSRNHPWNMIH-UHFFFAOYSA-N 1 0 384.318 2.725 20 0 GFADRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1ncc(Br)cn1 ZINC000934184475 664891894 /nfs/dbraw/zinc/89/18/94/664891894.db2.gz WWMSNHLINXCFAI-CJNGLKHVSA-N 1 0 389.297 2.880 20 0 GFADRO C[C@@H](Cc1cccnc1)[NH2+]CC(=O)Nc1ccc(I)cc1 ZINC000934237245 664892912 /nfs/dbraw/zinc/89/29/12/664892912.db2.gz WNBUKJLMPPVHGV-LBPRGKRZSA-N 1 0 395.244 2.846 20 0 GFADRO Cc1c(Br)cncc1NC(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000934266888 664896078 /nfs/dbraw/zinc/89/60/78/664896078.db2.gz IKLSAIRQTWUUHD-LBPRGKRZSA-N 1 0 385.306 2.775 20 0 GFADRO O=C(Nc1c(Br)cnn1C1CC1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000934372725 664902937 /nfs/dbraw/zinc/90/29/37/664902937.db2.gz RVMSRSFQBUWLKN-GFCCVEGCSA-N 1 0 382.306 2.930 20 0 GFADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)Nc3c(Br)cnn3C3CC3)CC[C@@H]21 ZINC000934373886 664903371 /nfs/dbraw/zinc/90/33/71/664903371.db2.gz LZRKKWIBPCKFFC-RISCZKNCSA-N 1 0 382.306 2.929 20 0 GFADRO CCO[C@H](CC[NH+](C)C)CNC(=O)c1cc(Br)cnc1C1CC1 ZINC000934385407 664905102 /nfs/dbraw/zinc/90/51/02/664905102.db2.gz KYDDNXVAYGTGOQ-CQSZACIVSA-N 1 0 384.318 2.808 20 0 GFADRO O=C(C[NH2+][C@H]1CCOC12CCOCC2)NCCc1cccc(Cl)c1Cl ZINC000934405569 664905899 /nfs/dbraw/zinc/90/58/99/664905899.db2.gz JSNOFKBFTSERLW-HNNXBMFYSA-N 1 0 387.307 2.580 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCOC12CCOCC2)C(=O)Nc1ccccc1Br ZINC000934408666 664906118 /nfs/dbraw/zinc/90/61/18/664906118.db2.gz HUWDXKHDUKTGCT-SWLSCSKDSA-N 1 0 383.286 2.704 20 0 GFADRO OC[C@H]([NH2+]C[C@@H](O)c1ccccc1)c1ccccc1I ZINC000934828200 664925671 /nfs/dbraw/zinc/92/56/71/664925671.db2.gz NSSLUTHXBHMDFT-JKSUJKDBSA-N 1 0 383.229 2.648 20 0 GFADRO OCCCCCCC[NH2+][C@@H](CO)c1ccccc1I ZINC000934829238 664926171 /nfs/dbraw/zinc/92/61/71/664926171.db2.gz LWXPEHBAHLWBCB-HNNXBMFYSA-N 1 0 377.266 2.857 20 0 GFADRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2cc(Br)c3nccnc3c2)C1 ZINC000934949039 664931420 /nfs/dbraw/zinc/93/14/20/664931420.db2.gz BHKKNSYRHSLXIH-LRDDRELGSA-N 1 0 389.297 2.949 20 0 GFADRO O=C(N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)C1(n2cc(Br)cn2)CC1 ZINC000935012568 664933917 /nfs/dbraw/zinc/93/39/17/664933917.db2.gz OAMKAFWJEMFZEQ-CZUORRHYSA-N 1 0 393.329 2.610 20 0 GFADRO Cc1c(Br)cc(F)cc1C(=O)Nc1ccc(=O)n(CC[NH+](C)C)c1 ZINC000935083327 664938974 /nfs/dbraw/zinc/93/89/74/664938974.db2.gz GJJUXRDWKBFOOI-UHFFFAOYSA-N 1 0 396.260 2.872 20 0 GFADRO C[NH+]1CCC2(CCCN2C(=O)c2nc(Br)c3ccccn32)CC1 ZINC000935190977 664945356 /nfs/dbraw/zinc/94/53/56/664945356.db2.gz UFERKRAWQOFXTP-UHFFFAOYSA-N 1 0 377.286 2.797 20 0 GFADRO COc1cc(NC(=O)COC2CC[NH+](C)CC2)cc(OC)c1Br ZINC000935253369 664948938 /nfs/dbraw/zinc/94/89/38/664948938.db2.gz YDCLRFRCHKPPTQ-UHFFFAOYSA-N 1 0 387.274 2.516 20 0 GFADRO C[NH+]1CCC(OCC(=O)NCC[C@H](O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000935649225 664977188 /nfs/dbraw/zinc/97/71/88/664977188.db2.gz PNDZEYPXNXXMTN-INIZCTEOSA-N 1 0 375.296 2.644 20 0 GFADRO C[NH+](C)[C@@H]1CCCN(C(=O)C[C@H]2C(=O)Nc3ccc(Br)cc32)CC1 ZINC000935652360 664978208 /nfs/dbraw/zinc/97/82/08/664978208.db2.gz NXEBCBYLMNNDHX-UKRRQHHQSA-N 1 0 394.313 2.818 20 0 GFADRO Cc1cc(C(F)(F)C(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)cnc1Cl ZINC000935654813 664978660 /nfs/dbraw/zinc/97/86/60/664978660.db2.gz JDBQJUUUZWENMP-ZDUSSCGKSA-N 1 0 375.847 2.752 20 0 GFADRO CC[NH+](CC)CC[C@@H](CO)NC(=O)c1cc(F)cc(Br)c1F ZINC000935780998 664988393 /nfs/dbraw/zinc/98/83/93/664988393.db2.gz UKSFGHVSUDLDHO-NSHDSACASA-N 1 0 379.245 2.550 20 0 GFADRO CC(C)[N@@H+](C)C[C@H](C)NC(=O)C[C@H]1C(=O)Nc2c1cccc2Br ZINC000936030513 665005141 /nfs/dbraw/zinc/00/51/41/665005141.db2.gz OSDFDHPYBBIBFM-WCQYABFASA-N 1 0 382.302 2.720 20 0 GFADRO CC[C@@H]1[C@@H](NC(=O)c2ccc(Cl)s2)CCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000985520660 665019432 /nfs/dbraw/zinc/01/94/32/665019432.db2.gz AGNPARRWFMTSAE-YIYPIFLZSA-N 1 0 383.945 2.851 20 0 GFADRO CC[C@@H]1[C@@H](C(=O)N2CC[C@H](NC(=O)c3ccsc3Cl)[C@H]2C)CC[N@@H+]1C ZINC000987961096 665020074 /nfs/dbraw/zinc/02/00/74/665020074.db2.gz BNIDVDXCVSPZRW-PAPYEOQZSA-N 1 0 383.945 2.851 20 0 GFADRO Cc1csc(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)C3)c1Cl ZINC000995917938 665026776 /nfs/dbraw/zinc/02/67/76/665026776.db2.gz LBDDEJNVWZJIFQ-RFGFWPKPSA-N 1 0 381.929 2.666 20 0 GFADRO O=C([C@@H]1OC[C@@H]2CCC[C@@H]21)N1CCC([NH2+]CC[C@H]2CC2(Cl)Cl)CC1 ZINC000996816486 665033692 /nfs/dbraw/zinc/03/36/92/665033692.db2.gz JAJYLULKRMICHK-DARAHFNDSA-N 1 0 375.340 2.966 20 0 GFADRO C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)c2ccc(Cl)s2)C1 ZINC000998630100 665040629 /nfs/dbraw/zinc/04/06/29/665040629.db2.gz JMLUZFBGIPJZQM-CRWXNKLISA-N 1 0 381.929 2.605 20 0 GFADRO C[C@@H]1CC[N@H+](CC(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cc(Cl)cs2)C3)C1 ZINC001002615932 665055950 /nfs/dbraw/zinc/05/59/50/665055950.db2.gz WUXGBTGHSKZZHE-NGFQHRJXSA-N 1 0 381.929 2.605 20 0 GFADRO C[N@@H+]1CC[C@@H](CC(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cscc2Cl)C3)C1 ZINC001003446572 665060805 /nfs/dbraw/zinc/06/08/05/665060805.db2.gz OIROUZCSLRTBKE-OJDYBEQGSA-N 1 0 381.929 2.605 20 0 GFADRO C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1sccc1Cl ZINC001003861741 665062381 /nfs/dbraw/zinc/06/23/81/665062381.db2.gz CZZWWVXMOVUPQN-REBRKWNGSA-N 1 0 381.929 2.748 20 0 GFADRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2cscc2Br)C1)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001022455181 665073927 /nfs/dbraw/zinc/07/39/27/665073927.db2.gz JZRMIXUCKZISKP-JMEBGAHHSA-N 1 0 397.338 2.671 20 0 GFADRO C[C@@H](O)C[N@@H+]1CCN(Cc2nc(-c3cccc(Br)c3)c[nH]2)C[C@H]1C ZINC000120574839 677397001 /nfs/dbraw/zinc/39/70/01/677397001.db2.gz HFMURAWTUQBDQI-ZIAGYGMSSA-N 1 0 393.329 2.726 20 0 GFADRO O=C(Nc1ccc(Br)cc1F)C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000120574464 677397068 /nfs/dbraw/zinc/39/70/68/677397068.db2.gz SHRVGYKWEKIGGM-UHFFFAOYSA-N 1 0 398.276 2.614 20 0 GFADRO C[NH+](C)CCN(Cc1ccccc1)S(=O)(=O)c1c(Cl)nc2sccn21 ZINC000384253573 677406989 /nfs/dbraw/zinc/40/69/89/677406989.db2.gz MJXGQAUEERLTKF-UHFFFAOYSA-N 1 0 398.941 2.802 20 0 GFADRO C[NH+](C)CCCC(C)(C)NS(=O)(=O)c1cc(Br)cnc1Cl ZINC000387132791 677407785 /nfs/dbraw/zinc/40/77/85/677407785.db2.gz MKFQYWOERKXHEA-UHFFFAOYSA-N 1 0 398.754 2.896 20 0 GFADRO CO[C@@H](c1ccc(Br)cc1)[C@@H](C)[NH2+]C1CCS(=O)(=O)CC1 ZINC000463275199 677412863 /nfs/dbraw/zinc/41/28/63/677412863.db2.gz UPOYEGIBXLCLFC-IAQYHMDHSA-N 1 0 376.316 2.692 20 0 GFADRO C[C@@H]1CN([C@H](C[NH2+]C[C@@H](O)C(F)(F)F)c2c(F)cccc2Cl)CCO1 ZINC000579827097 677673611 /nfs/dbraw/zinc/67/36/11/677673611.db2.gz GMORWZAZXFHVBL-LERXQTSPSA-N 1 0 384.801 2.754 20 0 GFADRO COc1ccc(C[N@@H+]2CC[C@@H](C(=O)NCC(F)(F)F)C2)c(Br)c1 ZINC000580128245 677673707 /nfs/dbraw/zinc/67/37/07/677673707.db2.gz YJMRDSRXPDVNHN-LLVKDONJSA-N 1 0 395.219 2.958 20 0 GFADRO CN(Cc1ccc(Cl)s1)C(=O)C(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000580222189 677673835 /nfs/dbraw/zinc/67/38/35/677673835.db2.gz GYEGHKSIIOANTP-UHFFFAOYSA-N 1 0 379.913 2.738 20 0 GFADRO O[C@@H](C[NH2+][C@@H]1CCN(CC(F)(F)F)C1)COc1ccc(Cl)cc1Cl ZINC000580314243 677674131 /nfs/dbraw/zinc/67/41/31/677674131.db2.gz HZSALTBQBJTRBW-NEPJUHHUSA-N 1 0 387.229 2.959 20 0 GFADRO O=C(CCNC(=O)[C@H]1CCC[NH2+]1)Nc1nc(-c2cccc(Cl)c2)cs1 ZINC000580309192 677674143 /nfs/dbraw/zinc/67/41/43/677674143.db2.gz KYBZYPFKJKOMJR-CYBMUJFWSA-N 1 0 378.885 2.660 20 0 GFADRO CC(C)(C)OC(=O)NCCNC(=O)[C@H]1CCC[N@H+](C[C@H]2CC2(Cl)Cl)C1 ZINC000747112997 677674493 /nfs/dbraw/zinc/67/44/93/677674493.db2.gz PLADAXFNYSKLCX-QWHCGFSZSA-N 1 0 394.343 2.533 20 0 GFADRO COC(=O)[C@H](c1cccc(Br)c1)N(C)C(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC000901275123 677674601 /nfs/dbraw/zinc/67/46/01/677674601.db2.gz DNYNQRFFDPSPGI-YJBOKZPZSA-N 1 0 395.297 2.608 20 0 GFADRO COCc1nc2scc(-c3ccccc3)c2c(N2CCN3CC[NH2+]C[C@H]3C2)n1 ZINC001164402328 718841623 /nfs/dbraw/zinc/84/16/23/718841623.db2.gz GFRQDGPTKSOYFH-INIZCTEOSA-N 1 0 395.532 2.599 20 0 GFADRO FC(F)(c1cccc2c(Cl)nc(Cl)nc21)N1CCOCC12C[NH2+]C2 ZINC001164401506 718860547 /nfs/dbraw/zinc/86/05/47/718860547.db2.gz FWCULMIFIICYHM-UHFFFAOYSA-N 1 0 375.206 2.660 20 0 GFADRO C[Si](C)(C)c1ccc(C(F)(F)N2CCO[C@@H]3C[NH2+]CC[C@@H]3C2)nc1Cl ZINC001164407133 718863243 /nfs/dbraw/zinc/86/32/43/718863243.db2.gz JIXHIMRNMLVZED-CHWSQXEVSA-N 1 0 389.950 2.640 20 0 GFADRO FC(F)(c1cc(Cl)nc(-c2cccnc2)n1)N1CCO[C@H]2C[NH2+]CC[C@@H]2C1 ZINC001164409906 718863885 /nfs/dbraw/zinc/86/38/85/718863885.db2.gz VHNLTOPRLMHSKM-KGLIPLIRSA-N 1 0 395.841 2.552 20 0 GFADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCn3nc(C(=O)OCC)nc3C2)nc1 ZINC001164616240 719005673 /nfs/dbraw/zinc/00/56/73/719005673.db2.gz MHCLDZXKNQXAQV-QGZVFWFLSA-N 1 0 398.511 2.807 20 0 GFADRO CCOC(=O)C1CC[NH+](C2CCN(c3cc(C)nc(SC)n3)CC2)CC1 ZINC001164620622 719020838 /nfs/dbraw/zinc/02/08/38/719020838.db2.gz ZCMGHJJDDAKMNR-UHFFFAOYSA-N 1 0 378.542 2.751 20 0 GFADRO COC(=O)[C@@H]1C[NH2+]CCN1C(F)(F)Oc1ccc(-c2ccnc(Cl)c2)cc1 ZINC001164621991 719133951 /nfs/dbraw/zinc/13/39/51/719133951.db2.gz NYUSTWKSEMOXCN-HNNXBMFYSA-N 1 0 397.809 2.778 20 0 GFADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1nccc(Oc3ccc(F)cc3)n1)CC2 ZINC001164689828 719744300 /nfs/dbraw/zinc/74/43/00/719744300.db2.gz KXPHYDVJPKOSHM-UHFFFAOYSA-N 1 0 399.470 2.589 20 0 GFADRO CNC(=O)c1cccnc1N1CCC2(CCC[N@@H+]2Cc2csc(C)n2)CC1 ZINC001164691309 719810928 /nfs/dbraw/zinc/81/09/28/719810928.db2.gz FMRRLFSLSNJYDH-UHFFFAOYSA-N 1 0 385.537 2.841 20 0 GFADRO c1csc(C[N@@H+]2CCOC3(CCN(c4ncnc5ncccc54)CC3)C2)c1 ZINC001164695042 719888107 /nfs/dbraw/zinc/88/81/07/719888107.db2.gz JRKSWPPSVZUVOR-UHFFFAOYSA-N 1 0 381.505 2.958 20 0 GFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ncc(C(=O)OC)cc1Cl)C2 ZINC001164809281 720067394 /nfs/dbraw/zinc/06/73/94/720067394.db2.gz JFHQFYKEASPBBX-OXJNMPFZSA-N 1 0 393.915 2.706 20 0 GFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1cnc(Cl)nc1)C2 ZINC001164811240 720086363 /nfs/dbraw/zinc/08/63/63/720086363.db2.gz NJHQAUYZPUBEPY-DOTOQJQBSA-N 1 0 386.874 2.860 20 0 GFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(Cl)nc3ncsc31)C2 ZINC001164816204 720119195 /nfs/dbraw/zinc/11/91/95/720119195.db2.gz YJRXNGATTULYMS-UGSOOPFHSA-N 1 0 393.944 2.924 20 0 GFADRO CCCc1cc(N2CCCn3c(=O)cc(C[N@H+](C)C(C)C)nc3C2)nc(C)n1 ZINC001164814508 720228234 /nfs/dbraw/zinc/22/82/34/720228234.db2.gz WEQOHBDBHMYDRC-UHFFFAOYSA-N 1 0 384.528 2.545 20 0 GFADRO Cc1ccc(Cl)nc1N1CC[C@@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164819148 720288500 /nfs/dbraw/zinc/28/85/00/720288500.db2.gz PQTSIOIHGRYPER-IAGOWNOFSA-N 1 0 376.932 2.955 20 0 GFADRO Cc1cccc2c1ncnc2N1CC[C@@H]2[C@@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164823867 720305389 /nfs/dbraw/zinc/30/53/89/720305389.db2.gz QKPIATSLFKQGSJ-VQTJNVASSA-N 1 0 393.535 2.850 20 0 GFADRO Cc1cc2ncnc(N3CC[C@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)c2s1 ZINC001164829013 720332273 /nfs/dbraw/zinc/33/22/73/720332273.db2.gz LHAJMZSUVFLGDP-MSOLQXFVSA-N 1 0 399.564 2.911 20 0 GFADRO O=C(c1cccnc1N1CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cccnc1)N1CCCCC1 ZINC001164729906 720337588 /nfs/dbraw/zinc/33/75/88/720337588.db2.gz YVMJWURWCZHCBC-NHCUHLMSSA-N 1 0 391.519 2.956 20 0 GFADRO CCOC(=O)c1cc2ccnc(N3CC[C@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)c2[nH]1 ZINC001164725391 720370876 /nfs/dbraw/zinc/37/08/76/720370876.db2.gz NEIGSMUMSWSMHR-OALUTQOASA-N 1 0 391.475 2.988 20 0 GFADRO CCOc1ccc(C(=O)OC)c(N2CC[C@@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)n1 ZINC001164725123 720397452 /nfs/dbraw/zinc/39/74/52/720397452.db2.gz MJAYNXSUCGCLBG-QZTJIDSGSA-N 1 0 382.464 2.515 20 0 GFADRO COC(=O)c1cc2c[nH]c(N3CC[C@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)cc-2n1 ZINC001164726411 720421306 /nfs/dbraw/zinc/42/13/06/720421306.db2.gz BYCRQPTWTLTTLN-OALUTQOASA-N 1 0 377.448 2.598 20 0 GFADRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(c2nnc(Cl)cc2-c2ccncc2)C1 ZINC001164727643 720508185 /nfs/dbraw/zinc/50/81/85/720508185.db2.gz CNKYSFSSICFBHM-CQSZACIVSA-N 1 0 383.887 2.587 20 0 GFADRO CCOC(=O)c1cccnc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164837903 720510842 /nfs/dbraw/zinc/51/08/42/720510842.db2.gz QMJUNSMCXGTZHE-WSTZPKSXSA-N 1 0 397.523 2.833 20 0 GFADRO C[NH+](C)C[C@H]1Cn2ccnc2CN(c2nccnc2C2SCCCS2)C1 ZINC001164729219 720511205 /nfs/dbraw/zinc/51/12/05/720511205.db2.gz ISQLJQWAMMGRDJ-AWEZNQCLSA-N 1 0 390.582 2.740 20 0 GFADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3nc(Cl)nc(Cl)n3)CC[C@@H]21 ZINC001164837125 720523718 /nfs/dbraw/zinc/52/37/18/720523718.db2.gz NQRURZFAQJMFHQ-RDBSUJKOSA-N 1 0 396.326 2.753 20 0 GFADRO CC(C)[N@H+]1[C@@H]2CCN(c3nc(Cl)nc(Cl)n3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164837119 720523865 /nfs/dbraw/zinc/52/38/65/720523865.db2.gz NQRURZFAQJMFHQ-HZSPNIEDSA-N 1 0 396.326 2.753 20 0 GFADRO COc1cnnc(Cl)c1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164833912 720540795 /nfs/dbraw/zinc/54/07/95/720540795.db2.gz CCVPEQNUTBPKKN-HRCADAONSA-N 1 0 390.919 2.713 20 0 GFADRO Clc1nc2cccnc2nc1N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001164730619 720562720 /nfs/dbraw/zinc/56/27/20/720562720.db2.gz XUBKXABZNHYAGC-UHFFFAOYSA-N 1 0 383.887 2.533 20 0 GFADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3ncc4ncsc4n3)CC[C@@H]21 ZINC001164834690 720563777 /nfs/dbraw/zinc/56/37/77/720563777.db2.gz FSIRMUHYOZALMX-ZOBUZTSGSA-N 1 0 383.525 2.661 20 0 GFADRO COc1cc(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)nc(OC)n1 ZINC001164837084 720675643 /nfs/dbraw/zinc/67/56/43/720675643.db2.gz BNGXWFBZPWBYPP-GOSISDBHSA-N 1 0 398.507 2.754 20 0 GFADRO COC(=O)c1cncnc1N1CCC2(C[C@@H]([N@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164840510 720693267 /nfs/dbraw/zinc/69/32/67/720693267.db2.gz FRRVGPLHCQYCHT-GOSISDBHSA-N 1 0 396.491 2.523 20 0 GFADRO F[C@@H](Oc1cncc(Cl)n1)N1CCCn2cnc(C[NH2+]C3CCC3)c2C1 ZINC001164841917 720740267 /nfs/dbraw/zinc/74/02/67/720740267.db2.gz ASYLOJQYIWQIMR-QGZVFWFLSA-N 1 0 380.855 2.506 20 0 GFADRO CC(C)(C)c1cc(Cl)nc(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)n1 ZINC001164740363 720745795 /nfs/dbraw/zinc/74/57/95/720745795.db2.gz KHGNTPLKLPWMCH-KGLIPLIRSA-N 1 0 388.903 2.559 20 0 GFADRO Cc1c(Cl)nc(C(C)C)nc1N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164748933 720800789 /nfs/dbraw/zinc/80/07/89/720800789.db2.gz SARJPQJJASJIGE-CABCVRRESA-N 1 0 388.903 2.694 20 0 GFADRO c1ncn(C[C@@H]2C[C@H]3CN(c4cc5ccccc5nn4)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164744476 720830093 /nfs/dbraw/zinc/83/00/93/720830093.db2.gz UNWKGCOKZSXDFT-IRFCIJBXSA-N 1 0 389.507 2.601 20 0 GFADRO COCC[N@@H+]1CCO[C@@H]2CN(c3nc4ccc(OC)cc4cc3C)CC[C@H]2C1 ZINC001164848371 720833146 /nfs/dbraw/zinc/83/31/46/720833146.db2.gz MVAKZKAEPQMGIV-LAUBAEHRSA-N 1 0 385.508 2.725 20 0 GFADRO COCC[N@@H+]1CCO[C@@H]2CN(c3nc(Cl)nc4ccc(F)cc43)CC[C@@H]2C1 ZINC001164855514 720838000 /nfs/dbraw/zinc/83/80/00/720838000.db2.gz UEJMKRQGKUCRPT-CXAGYDPISA-N 1 0 394.878 2.596 20 0 GFADRO Cc1cc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc2[nH]ccc21 ZINC001164745195 720838222 /nfs/dbraw/zinc/83/82/22/720838222.db2.gz MOJSUWSUGBWZAT-NLWGTHIKSA-N 1 0 391.523 2.842 20 0 GFADRO CC(C)Cc1cc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)ncn1 ZINC001164741471 720850051 /nfs/dbraw/zinc/85/00/51/720850051.db2.gz FHSRJZAOMWDNTQ-HMXCVIKNSA-N 1 0 395.555 2.646 20 0 GFADRO Cc1cc(C(C)C)nc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164746913 720858544 /nfs/dbraw/zinc/85/85/44/720858544.db2.gz HEXAHFGUTFRADP-SFHLNBCPSA-N 1 0 395.555 2.879 20 0 GFADRO COCC[N@@H+]1CCO[C@H]2CN(C(F)(F)c3cc(C)cc(Cl)n3)CC[C@H]2C1 ZINC001164862182 720862004 /nfs/dbraw/zinc/86/20/04/720862004.db2.gz ZKEZMIUJPLSURX-GJZGRUSLSA-N 1 0 389.874 2.762 20 0 GFADRO c1cncc(COC[C@@H]2C[N@H+](CC3CC3)C[C@]23CCN(c2cccnn2)C3)c1 ZINC001164752883 720868061 /nfs/dbraw/zinc/86/80/61/720868061.db2.gz NGDPQQWDYOGALE-UNMCSNQZSA-N 1 0 379.508 2.627 20 0 GFADRO COCC[N@@H+]1CCO[C@@H]2CN(c3cc4nc(Cl)cnc4cc3F)CC[C@H]2C1 ZINC001164854471 720880515 /nfs/dbraw/zinc/88/05/15/720880515.db2.gz FHOYDNWTYJUGTP-SCLBCKFNSA-N 1 0 394.878 2.596 20 0 GFADRO COCC[N@@H+]1CCO[C@H]2CN(c3cc4nc(Cl)cnc4cc3F)CC[C@H]2C1 ZINC001164854474 720880851 /nfs/dbraw/zinc/88/08/51/720880851.db2.gz FHOYDNWTYJUGTP-UGSOOPFHSA-N 1 0 394.878 2.596 20 0 GFADRO COc1cnc(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@@H]2C)nc1NC(C)C ZINC001164859184 720916732 /nfs/dbraw/zinc/91/67/32/720916732.db2.gz PDSQHOIPTHGXFD-HNNXBMFYSA-N 1 0 387.532 2.923 20 0 GFADRO Cc1cccc(CN2C(=O)C[C@@H]3[C@H]2CCN3c2ccc(C[N@@H+](C)C3CC3)cn2)n1 ZINC001164766621 721055231 /nfs/dbraw/zinc/05/52/31/721055231.db2.gz FQQVBLUMUCONKP-NHCUHLMSSA-N 1 0 391.519 2.759 20 0 GFADRO FC(F)(c1nccc(Cl)n1)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164867369 721055450 /nfs/dbraw/zinc/05/54/50/721055450.db2.gz IPMQQWUYCBJADQ-HUUCEWRRSA-N 1 0 395.841 2.550 20 0 GFADRO Fc1ccc2ncnc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)c2c1 ZINC001164867844 721056055 /nfs/dbraw/zinc/05/60/55/721056055.db2.gz KWVWKMKKICHSCN-ZWKOTPCHSA-N 1 0 379.439 2.644 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4ncnc5ccc(Cl)cc54)C[C@H]3C2)cn1 ZINC001164771272 721091598 /nfs/dbraw/zinc/09/15/98/721091598.db2.gz RXDBKVLJRVUZIZ-JKSUJKDBSA-N 1 0 382.899 2.975 20 0 GFADRO Fc1cnc2ccc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)nc2c1 ZINC001164877015 721127488 /nfs/dbraw/zinc/12/74/88/721127488.db2.gz NUXCPVAUKAUULI-ROUUACIJSA-N 1 0 379.439 2.644 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4ccc(C(=O)OC(C)(C)C)cn4)C[C@H]3C2)cn1 ZINC001164764768 721130128 /nfs/dbraw/zinc/13/01/28/721130128.db2.gz HWMZQBSZMIYSBV-RTBURBONSA-N 1 0 397.523 2.729 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN([C@@H](F)Oc4ccc(Cl)nc4)C[C@H]3C2)cn1 ZINC001164763345 721133145 /nfs/dbraw/zinc/13/31/45/721133145.db2.gz FGHWLZAAZWMVHG-IIDMSEBBSA-N 1 0 379.867 2.554 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4cc5ccc(Cl)nc5cn4)C[C@H]3C2)cn1 ZINC001164772794 721141175 /nfs/dbraw/zinc/14/11/75/721141175.db2.gz WZIKNPUYNYRRFF-DLBZAZTESA-N 1 0 382.899 2.975 20 0 GFADRO COc1ccc2ccc(N3C[C@@H]4CC[N@H+](Cc5cnn(C)c5)C[C@@H]4C3)nc2c1 ZINC001164771736 721154960 /nfs/dbraw/zinc/15/49/60/721154960.db2.gz STURUFWHXCSRRG-RBUKOAKNSA-N 1 0 377.492 2.935 20 0 GFADRO Cc1cc(N2C[C@@H]3C[N@H+](Cc4cnn(C)c4)CC[C@@H]3C2)nc(-c2ccccn2)n1 ZINC001164766685 721192086 /nfs/dbraw/zinc/19/20/86/721192086.db2.gz JCBCMABYUBWOST-MOPGFXCFSA-N 1 0 389.507 2.539 20 0 GFADRO Cc1cc(N2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)nc(-c2ccccn2)n1 ZINC001164766697 721193377 /nfs/dbraw/zinc/19/33/77/721193377.db2.gz JCBCMABYUBWOST-RBUKOAKNSA-N 1 0 389.507 2.539 20 0 GFADRO Cc1cc(C(F)(F)N2C[C@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)c(Cl)nn1 ZINC001164769172 721206388 /nfs/dbraw/zinc/20/63/88/721206388.db2.gz LVCNKFHXRANJQJ-HUUCEWRRSA-N 1 0 396.873 2.675 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4cncc(N5CCCCCC5)n4)C[C@@H]3C2)cn1 ZINC001164761364 721223804 /nfs/dbraw/zinc/22/38/04/721223804.db2.gz AYTRYKREODCJHL-UXHICEINSA-N 1 0 395.555 2.549 20 0 GFADRO Cc1ccc2ccnc(N3CCC4(CC3)COCC[N@@H+](CC(=O)N(C)C)C4)c2c1 ZINC001164870414 721272736 /nfs/dbraw/zinc/27/27/36/721272736.db2.gz YAOCWRKPFGXFAD-UHFFFAOYSA-N 1 0 396.535 2.550 20 0 GFADRO COC(=O)c1nc(Cl)ccc1C(F)(F)N1CC2(C1)CC[N@H+](CC1CC1)C2 ZINC001164773622 721286805 /nfs/dbraw/zinc/28/68/05/721286805.db2.gz SHHGGXDTPIOCLX-UHFFFAOYSA-N 1 0 385.842 2.989 20 0 GFADRO Cc1nc(C(C)C)cc(N2CC[C@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)n1 ZINC001164886776 721385885 /nfs/dbraw/zinc/38/58/85/721385885.db2.gz GEBNPUHZQZSSSI-UGKGYDQZSA-N 1 0 387.572 2.674 20 0 GFADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4nc(Cl)ccc4F)C3)O2)CC1 ZINC001164886830 721394571 /nfs/dbraw/zinc/39/45/71/721394571.db2.gz GQHTVXGNIYVGSF-HNAYVOBHSA-N 1 0 382.911 2.640 20 0 GFADRO Cc1ccc2ncnc(N3CC[C@]4(C3)CCC[C@@H](C[NH+]3CCN(C)CC3)O4)c2c1 ZINC001164894521 721396290 /nfs/dbraw/zinc/39/62/90/721396290.db2.gz YPEIYORMJNQONN-CVDCTZTESA-N 1 0 395.551 2.704 20 0 GFADRO Cc1c[nH]c2nc(N3CC[C@]4(C3)CCC[C@@H](C[NH+]3CCN(C)CC3)O4)ccc12 ZINC001164888624 721399051 /nfs/dbraw/zinc/39/90/51/721399051.db2.gz KNFGGDHKEOOWDL-AVRDEDQJSA-N 1 0 383.540 2.637 20 0 GFADRO c1csc(CN2C[C@@H]3CN(c4cccc(OCC[NH+]5CCCC5)n4)C[C@H]3C2)n1 ZINC001164788276 721421553 /nfs/dbraw/zinc/42/15/53/721421553.db2.gz RSBJNLMORKVZBJ-QZTJIDSGSA-N 1 0 399.564 2.581 20 0 GFADRO Cc1nnc(N2CC[C@@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)c2ccccc12 ZINC001164890310 721432606 /nfs/dbraw/zinc/43/26/06/721432606.db2.gz DJUSUYWCAYBQIB-WMZHIEFXSA-N 1 0 395.551 2.704 20 0 GFADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4cc(C(C)(C)C)ncn4)C3)O2)CC1 ZINC001164894432 721434161 /nfs/dbraw/zinc/43/41/61/721434161.db2.gz MPTWPYGKSSNAGN-AVRDEDQJSA-N 1 0 387.572 2.540 20 0 GFADRO Cc1cc(C(C)C)nc(N2CC[C@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)n1 ZINC001164891364 721448454 /nfs/dbraw/zinc/44/84/54/721448454.db2.gz UMKBNZFVFIMHPP-KNQAVFIVSA-N 1 0 387.572 2.674 20 0 GFADRO C[N@H+](Cc1ccc(N2CCC3(C[C@@H](c4ccncc4)C(=O)N3)CC2)nc1)C1CC1 ZINC001164897416 721505163 /nfs/dbraw/zinc/50/51/63/721505163.db2.gz LQVBAUYXOIBWOH-FQEVSTJZSA-N 1 0 391.519 2.714 20 0 GFADRO COC(=O)c1ccc(C)nc1N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164901398 721515841 /nfs/dbraw/zinc/51/58/41/721515841.db2.gz WZMNNJPOJKQAKZ-AEFFLSMTSA-N 1 0 385.439 2.658 20 0 GFADRO C=C(OCC)c1ccc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)nn1 ZINC001164902993 721533816 /nfs/dbraw/zinc/53/38/16/721533816.db2.gz BQGOTYDLTBXMIW-IEBWSBKVSA-N 1 0 384.455 2.965 20 0 GFADRO Cc1nc2[nH]ccc2c(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)n1 ZINC001164806000 721538416 /nfs/dbraw/zinc/53/84/16/721538416.db2.gz NEXRIGMYADIIAQ-QYZOEREBSA-N 1 0 378.480 2.530 20 0 GFADRO CCCNC(=O)c1ccc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)nc1 ZINC001164906441 721555280 /nfs/dbraw/zinc/55/52/80/721555280.db2.gz JDVBKSDFCWHVCT-ICSRJNTNSA-N 1 0 398.482 2.702 20 0 GFADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nccc3cnccc32)[C@H]2CCCO[C@H]12 ZINC001164798102 721564874 /nfs/dbraw/zinc/56/48/74/721564874.db2.gz ABBOECFFIOHRCI-HBMCJLEFSA-N 1 0 375.476 2.893 20 0 GFADRO Cc1nc2c(c(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@H]43)n1)CCC2 ZINC001164798211 721570439 /nfs/dbraw/zinc/57/04/39/721570439.db2.gz AVNZXZDOGGTCHY-QHAWAJNXSA-N 1 0 379.508 2.537 20 0 GFADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2ccc3cc(Cl)cnc3n2)CC1 ZINC001165011096 721736894 /nfs/dbraw/zinc/73/68/94/721736894.db2.gz KVUGYXMEPPPXQT-UHFFFAOYSA-N 1 0 387.915 2.806 20 0 GFADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2nc3c(nc2Cl)CCCC3)CC1 ZINC001165013104 721750121 /nfs/dbraw/zinc/75/01/21/721750121.db2.gz UKYJPGFHWKJZFZ-UHFFFAOYSA-N 1 0 391.947 2.532 20 0 GFADRO COC(=O)c1cc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)ncc1N ZINC001165026910 721807178 /nfs/dbraw/zinc/80/71/78/721807178.db2.gz SEEOAEXYGMJAIJ-QSFXBCCZSA-N 1 0 395.507 2.582 20 0 GFADRO c1cncc(O[C@H]2CO[C@]3(CCN(c4ncccc4C[NH+]4CCCC4)C3)C2)c1 ZINC001164914585 721807707 /nfs/dbraw/zinc/80/77/07/721807707.db2.gz DIQQDDFYAXVULC-IFMALSPDSA-N 1 0 380.492 2.889 20 0 GFADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc4c(n3)OCC(=O)N4)C[C@@H]21 ZINC001165028280 721811594 /nfs/dbraw/zinc/81/15/94/721811594.db2.gz XDHAMOFQUCOWME-VDZJLULYSA-N 1 0 393.491 2.544 20 0 GFADRO Cc1nc(CN2CCOC[C@@]3(CN(c4cc(C)c(C)c[nH+]4)CCO3)C2)cs1 ZINC001164920135 721832774 /nfs/dbraw/zinc/83/27/74/721832774.db2.gz BCUCNBHFDAYICB-FQEVSTJZSA-N 1 0 388.537 2.571 20 0 GFADRO C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2c1nccc(-c2c[nH]c3ccccc23)n1 ZINC001164931797 721861871 /nfs/dbraw/zinc/86/18/71/721861871.db2.gz WFGOGZZREKDTFM-RTWAWAEBSA-N 1 0 376.508 2.840 20 0 GFADRO CCOC(=O)c1cc2ccccc2nc1N1CC[C@H]2[C@@H]1CCN2CC[NH+](C)C ZINC001164927016 721870820 /nfs/dbraw/zinc/87/08/20/721870820.db2.gz UHWPDPJABVFEPL-PMACEKPBSA-N 1 0 382.508 2.626 20 0 GFADRO C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2c1nc(Cl)cc(Cc2ccccc2)n1 ZINC001164926020 721873117 /nfs/dbraw/zinc/87/31/17/721873117.db2.gz PXEWFJIERDFAQH-OALUTQOASA-N 1 0 385.943 2.935 20 0 GFADRO CCOc1ccc(-c2ccc(N3CC[C@H]4[C@H]3CCN4CC[NH+](C)C)nn2)cc1 ZINC001164935937 721884005 /nfs/dbraw/zinc/88/40/05/721884005.db2.gz YQDTYWOUCLRHJY-LEWJYISDSA-N 1 0 381.524 2.757 20 0 GFADRO CN(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCN2c1nc(-c2ccccn2)nc2sccc21 ZINC001164936337 721886172 /nfs/dbraw/zinc/88/61/72/721886172.db2.gz ZNIXUDNBPULBKR-ROUUACIJSA-N 1 0 394.548 2.968 20 0 GFADRO C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2c1ncc(C(=O)OC(C)(C)C)cc1Cl ZINC001164931951 721886863 /nfs/dbraw/zinc/88/68/63/721886863.db2.gz GWTLJIPSKUORBS-SJORKVTESA-N 1 0 394.947 2.905 20 0 GFADRO C[N@H+](Cc1ccc(N2CC[C@H]3[C@H](CC(=O)NC4CCC4)OC[C@@H]3C2)nc1)C1CC1 ZINC001164936694 721897412 /nfs/dbraw/zinc/89/74/12/721897412.db2.gz ZPMSKOOKEQGFEO-WMQCIHAUSA-N 1 0 398.551 2.576 20 0 GFADRO CCOC(=O)c1nc2ccn(C)c2c(N2CCCC[C@H]2CC[NH+]2CCCC2)n1 ZINC001165050615 721974294 /nfs/dbraw/zinc/97/42/94/721974294.db2.gz ZTTRYLSXRNNKAB-INIZCTEOSA-N 1 0 385.512 2.990 20 0 GFADRO NC(=O)c1nc(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)ccc1Cl ZINC001164955319 722013520 /nfs/dbraw/zinc/01/35/20/722013520.db2.gz ULCDRKFOKFAVNV-UHFFFAOYSA-N 1 0 385.899 2.721 20 0 GFADRO COC(=O)Cc1cccc(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)n1 ZINC001164952964 722017083 /nfs/dbraw/zinc/01/70/83/722017083.db2.gz PZIQJNRGGWABRO-UHFFFAOYSA-N 1 0 380.492 2.685 20 0 GFADRO c1cc(C[N@@H+]2CCOCC3(CCN(c4ncc5c(n4)CCCC5)CC3)C2)ccn1 ZINC001164961674 722061178 /nfs/dbraw/zinc/06/11/78/722061178.db2.gz NXRCOFVRSRRFIZ-UHFFFAOYSA-N 1 0 393.535 2.869 20 0 GFADRO c1ccc2nc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)cnc2c1 ZINC001164985782 722102615 /nfs/dbraw/zinc/10/26/15/722102615.db2.gz WPOCLGIIVOUQMI-NQIIRXRSSA-N 1 0 375.476 2.752 20 0 GFADRO c1coc(-c2cnc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)cn2)c1 ZINC001164970924 722111649 /nfs/dbraw/zinc/11/16/49/722111649.db2.gz AQTKCLCHLDLYPI-NQIIRXRSSA-N 1 0 391.475 2.859 20 0 GFADRO C=C(OCC)c1ccc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)nn1 ZINC001164981091 722118243 /nfs/dbraw/zinc/11/82/43/722118243.db2.gz SLXMUEIESSLDGA-FPOVZHCZSA-N 1 0 395.507 2.606 20 0 GFADRO C=C(OCC)c1ccc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)nn1 ZINC001164981090 722118762 /nfs/dbraw/zinc/11/87/62/722118762.db2.gz SLXMUEIESSLDGA-CTNGQTDRSA-N 1 0 395.507 2.606 20 0 GFADRO Cc1cc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)nc2[nH]ccc21 ZINC001164980296 722129847 /nfs/dbraw/zinc/12/98/47/722129847.db2.gz MPFLBDNRDHGOLS-AZUAARDMSA-N 1 0 377.492 2.994 20 0 GFADRO Cc1nc(CN2CCO[C@@H]3CCN(c4cccc(N(C)C)[nH+]4)CC[C@@H]32)cs1 ZINC001164988955 722176299 /nfs/dbraw/zinc/17/62/99/722176299.db2.gz SKGUKDKFOURNGN-ZWKOTPCHSA-N 1 0 387.553 2.782 20 0 GFADRO Cc1nc(CN2CCO[C@H]3CCN(c4cc(N(C)C)cc[nH+]4)CC[C@@H]32)cs1 ZINC001164994543 722181474 /nfs/dbraw/zinc/18/14/74/722181474.db2.gz YZWGGPSCIMONNJ-OALUTQOASA-N 1 0 387.553 2.782 20 0 GFADRO O=C(NC1CC1)c1ccc(N2CCC[C@]3(CC[N@H+]3Cc3cccc(F)c3)C2)nn1 ZINC001164998913 722210787 /nfs/dbraw/zinc/21/07/87/722210787.db2.gz YNIXKEJNMVEONA-QFIPXVFZSA-N 1 0 395.482 2.753 20 0 GFADRO O=C(Nc1nnc(-c2cccc(Br)c2)s1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000632934230 532651080 /nfs/dbraw/zinc/65/10/80/532651080.db2.gz HZCRUKSQSJZIKB-TXEJJXNPSA-N 1 0 394.298 2.936 20 0 GFADRO COc1ccc2c(c1)C[C@@H]([NH2+]C[C@@H]1CC(=O)N(C)[C@H]1c1c(C)nn(C)c1C)CC2 ZINC000328622242 206233697 /nfs/dbraw/zinc/23/36/97/206233697.db2.gz IIGVZZDFWLMODG-SFYKDHMMSA-N 1 0 396.535 2.712 20 0 GFADRO Cc1ccc(C[NH2+]C[C@H]2CCC[C@@]23NC(=O)N(C)C3=O)c(Br)c1 ZINC000359866818 206265341 /nfs/dbraw/zinc/26/53/41/206265341.db2.gz GOADEOFZAWCFAJ-CXAGYDPISA-N 1 0 380.286 2.568 20 0 GFADRO CC(C)C[C@@H]([NH2+]C1CCN(C(=O)c2ccco2)CC1)C(=O)Nc1nccs1 ZINC000359898303 206268887 /nfs/dbraw/zinc/26/88/87/206268887.db2.gz LDXQEIHMCQXJIA-OAHLLOKOSA-N 1 0 390.509 2.984 20 0 GFADRO O=C(c1ccc(Cl)s1)N1CCC(C(=O)N2CC[NH+](C3CCC3)CC2)CC1 ZINC000359902743 206269371 /nfs/dbraw/zinc/26/93/71/206269371.db2.gz TYPQISFAJKVQHN-UHFFFAOYSA-N 1 0 395.956 2.950 20 0 GFADRO C[N@@H+]1CC[C@@H](CNS(=O)(=O)c2ccc(N)cc2)[C@@H]1c1cccc(Cl)c1 ZINC000359899052 206269418 /nfs/dbraw/zinc/26/94/18/206269418.db2.gz MPEOWCDLPIKVIH-KSSFIOAISA-N 1 0 379.913 2.894 20 0 GFADRO COc1ccc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cn2)c(OCC2CC2)c1 ZINC000239352402 209018511 /nfs/dbraw/zinc/01/85/11/209018511.db2.gz ACAHTYXFMMGXCI-UHFFFAOYSA-N 1 0 396.491 2.883 20 0 GFADRO C[C@H]1CCCN(CCS(=O)(=O)c2ccc(Br)cc2)[C@@H]1CC[NH3+] ZINC000404353454 563537036 /nfs/dbraw/zinc/53/70/36/563537036.db2.gz KJADVHVGWLAKPC-XJKSGUPXSA-N 1 0 389.359 2.672 20 0 GFADRO C[NH+]1CCN(c2ccc(NC(=O)[C@H]3CCCN3C(=O)c3cccs3)cc2)CC1 ZINC000104784504 536423024 /nfs/dbraw/zinc/42/30/24/536423024.db2.gz YLDIFCNWGAFPDV-GOSISDBHSA-N 1 0 398.532 2.743 20 0 GFADRO C[C@@H]1C[N@H+](CCCNC(=O)c2cc(Cl)ncc2Br)CCCO1 ZINC000290391431 563707854 /nfs/dbraw/zinc/70/78/54/563707854.db2.gz JMBQOSVXLGKKPM-LLVKDONJSA-N 1 0 390.709 2.728 20 0 GFADRO OC[C@H]([NH2+]C[C@H](O)COc1cc(F)cc(Br)c1)c1ccsc1 ZINC000439438566 563724957 /nfs/dbraw/zinc/72/49/57/563724957.db2.gz LHERTIFZZATLEH-ZFWWWQNUSA-N 1 0 390.274 2.713 20 0 GFADRO C[C@H]1CCCC[N@@H+]1CCC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1Cl ZINC000015261476 551111331 /nfs/dbraw/zinc/11/13/31/551111331.db2.gz DGQXKTOKQHUSMP-ZDUSSCGKSA-N 1 0 387.933 2.793 20 0 GFADRO Cc1cc(S(=O)(=O)NCC[NH+]2CCCCCC2)ccc1Br ZINC000024682655 551119454 /nfs/dbraw/zinc/11/94/54/551119454.db2.gz MTSCJULFYICMST-UHFFFAOYSA-N 1 0 375.332 2.912 20 0 GFADRO C[C@@H](C[NH+]1CCCCC1)NC(=O)CCNC(=O)c1ccc(Br)cc1 ZINC000024803582 551119488 /nfs/dbraw/zinc/11/94/88/551119488.db2.gz BPHKDQUNUWCBGD-AWEZNQCLSA-N 1 0 396.329 2.560 20 0 GFADRO CNC(=O)c1ccc(C[NH2+]C[C@H](O)COc2cc(Cl)ccc2Cl)cc1 ZINC000028920281 551124969 /nfs/dbraw/zinc/12/49/69/551124969.db2.gz MBGQITNCHKPADB-HNNXBMFYSA-N 1 0 383.275 2.883 20 0 GFADRO CC(C)[C@H](CNC(=O)COc1cc(Cl)ccc1Cl)[NH+]1CCN(C)CC1 ZINC000042580577 551139737 /nfs/dbraw/zinc/13/97/37/551139737.db2.gz LIMLJXIURRYDOL-INIZCTEOSA-N 1 0 388.339 2.760 20 0 GFADRO CC1CC[NH+](CCNC(=O)NCC(=O)Nc2cc(Cl)ccc2Cl)CC1 ZINC000043139051 551141091 /nfs/dbraw/zinc/14/10/91/551141091.db2.gz ADSROUOUAPHMAJ-UHFFFAOYSA-N 1 0 387.311 2.963 20 0 GFADRO CC(C)C(=O)Nc1nc(CC(=O)NC[C@@H](c2cccs2)[NH+](C)C)cs1 ZINC000044311497 551144146 /nfs/dbraw/zinc/14/41/46/551144146.db2.gz WNXJRFKTNIQFBN-ZDUSSCGKSA-N 1 0 380.539 2.761 20 0 GFADRO COc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)cc1Cl ZINC000055295183 551172749 /nfs/dbraw/zinc/17/27/49/551172749.db2.gz FUYHSVKRCLACTN-HNNXBMFYSA-N 1 0 382.913 2.800 20 0 GFADRO C[NH2+]CCC1CCN(S(=O)(=O)c2cc(C)ccc2Br)CC1 ZINC000440857035 563752361 /nfs/dbraw/zinc/75/23/61/563752361.db2.gz RYYLRKOYYSNSDU-UHFFFAOYSA-N 1 0 375.332 2.768 20 0 GFADRO Cc1cnn(CCC(=O)N(CC[NH+](C)C)Cc2ccc(Br)cc2)c1 ZINC000056997067 551179082 /nfs/dbraw/zinc/17/90/82/551179082.db2.gz FZRYSMPVDWHVPI-UHFFFAOYSA-N 1 0 393.329 2.935 20 0 GFADRO C[C@@H](C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1)[N@@H+]1CCC[C@H](C)C1 ZINC000058271201 551182293 /nfs/dbraw/zinc/18/22/93/551182293.db2.gz YHFFNYAXVVVRTA-STQMWFEESA-N 1 0 387.933 2.649 20 0 GFADRO C[NH+](C)CCn1c(=O)oc2ccc(NC(=O)c3ccc(Br)o3)cc21 ZINC000058737553 551183524 /nfs/dbraw/zinc/18/35/24/551183524.db2.gz ICYBRIDCHNSZSR-UHFFFAOYSA-N 1 0 394.225 2.764 20 0 GFADRO Cc1cc(C(=O)Nc2cc(Br)ccc2N2CC[NH+](C)CC2)no1 ZINC000060656457 551183746 /nfs/dbraw/zinc/18/37/46/551183746.db2.gz KTIZDBWZZBQXIB-UHFFFAOYSA-N 1 0 379.258 2.750 20 0 GFADRO O=C(CNC(=O)c1sc2ccccc2c1Cl)NCC[NH+]1CCCCC1 ZINC000060666149 551183778 /nfs/dbraw/zinc/18/37/78/551183778.db2.gz DCXJQYFSEWOEOD-UHFFFAOYSA-N 1 0 379.913 2.887 20 0 GFADRO CCOC(=O)CSc1nnc(NC(=O)c2ccc(C[NH+](C)C)cc2)s1 ZINC000067982055 551190790 /nfs/dbraw/zinc/19/07/90/551190790.db2.gz JYFYDEFDFADOIN-UHFFFAOYSA-N 1 0 380.495 2.507 20 0 GFADRO CC(C)[C@@H](CNC(=O)c1ccc(Br)c(F)c1)[NH+]1CCN(C)CC1 ZINC000068332772 551191401 /nfs/dbraw/zinc/19/14/01/551191401.db2.gz CAGPZMISHVOAJN-MRXNPFEDSA-N 1 0 386.309 2.590 20 0 GFADRO COc1cc(C[NH2+]CC[C@H]2CCCO2)cc(I)c1OC ZINC000068840000 551193608 /nfs/dbraw/zinc/19/36/08/551193608.db2.gz YUXPNHAXXGIKLZ-GFCCVEGCSA-N 1 0 391.249 2.967 20 0 GFADRO CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@H+](Cc2cnc(N(C)C)s2)C1 ZINC000093685063 551195866 /nfs/dbraw/zinc/19/58/66/551195866.db2.gz GUXDAJXGFIXDDR-LBPRGKRZSA-N 1 0 378.464 2.832 20 0 GFADRO CC[N@H+](CCNC(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1)C(C)C ZINC000110420967 551204669 /nfs/dbraw/zinc/20/46/69/551204669.db2.gz URZKSUWKXFKMCB-AWEZNQCLSA-N 1 0 396.329 2.649 20 0 GFADRO CC[NH+](CC)CC(=O)N1CCN([C@@H](C)c2ccc(Br)cc2)CC1 ZINC000112613359 551206070 /nfs/dbraw/zinc/20/60/70/551206070.db2.gz WCLFUMFFTBNQQI-HNNXBMFYSA-N 1 0 382.346 2.996 20 0 GFADRO C[C@H](C(=O)Nc1ccc(Br)cc1)[N@@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000116324131 551211746 /nfs/dbraw/zinc/21/17/46/551211746.db2.gz RWUIQAQMTUATGZ-OLZOCXBDSA-N 1 0 377.286 2.999 20 0 GFADRO Brc1ccc(N2CC[NH+](Cc3ccc(-n4cncn4)cc3)CC2)nc1 ZINC000119505344 551217380 /nfs/dbraw/zinc/21/73/80/551217380.db2.gz XNRRGDHBZUWUHR-UHFFFAOYSA-N 1 0 399.296 2.747 20 0 GFADRO C[C@H]1CCCC[N@@H+]1CCNS(=O)(=O)Cc1ccc(Br)cc1 ZINC000119671033 551218529 /nfs/dbraw/zinc/21/85/29/551218529.db2.gz VZMWPVQKXMZEDM-ZDUSSCGKSA-N 1 0 375.332 2.743 20 0 GFADRO Cc1cc(I)cc(C(=O)NC[C@H]2CCC[N@@H+](C)C2)c1C ZINC000120368841 551220605 /nfs/dbraw/zinc/22/06/05/551220605.db2.gz SUWQVDLQCUXFFY-CYBMUJFWSA-N 1 0 386.277 2.980 20 0 GFADRO C[C@H]([NH2+]C[C@@]1(C)CCCS1)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000120410310 551220909 /nfs/dbraw/zinc/22/09/09/551220909.db2.gz ZLKJQNRWKIXKCA-MAUKXSAKSA-N 1 0 384.567 2.644 20 0 GFADRO CC[NH+](CC)C[C@H]1CCN(C(=O)C(=O)Nc2cccc(C)c2Br)C1 ZINC000121083910 551226707 /nfs/dbraw/zinc/22/67/07/551226707.db2.gz ZBKRGBVBNYWVKU-CQSZACIVSA-N 1 0 396.329 2.886 20 0 GFADRO COC[C@@H]([NH2+]Cc1cc(I)c(OC)c(OC)c1)C1CC1 ZINC000121256623 551230634 /nfs/dbraw/zinc/23/06/34/551230634.db2.gz WFSDZTLATJJSFZ-CYBMUJFWSA-N 1 0 391.249 2.823 20 0 GFADRO CCC[N@H+](C[C@H](O)CN1CCOCC1)[C@@H](C)c1ccccc1Br ZINC000121252530 551230745 /nfs/dbraw/zinc/23/07/45/551230745.db2.gz JLHRVNYKDFARNM-JKSUJKDBSA-N 1 0 385.346 2.915 20 0 GFADRO COc1ccc(Br)cc1C[NH2+][C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000121540960 551236826 /nfs/dbraw/zinc/23/68/26/551236826.db2.gz FTUMGQFGOMZFMU-LLVKDONJSA-N 1 0 399.310 2.956 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000121894390 551291857 /nfs/dbraw/zinc/29/18/57/551291857.db2.gz SPYPHFVUEQOXBE-MAZHCROVSA-N 1 0 394.313 2.530 20 0 GFADRO O=C(c1csc(I)c1)N1CCC([NH2+]CC2CC2)CC1 ZINC000122250571 551296021 /nfs/dbraw/zinc/29/60/21/551296021.db2.gz HXCPPYNTESCFPD-UHFFFAOYSA-N 1 0 390.290 2.957 20 0 GFADRO Cc1sc(Br)cc1S(=O)(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000122363422 551297142 /nfs/dbraw/zinc/29/71/42/551297142.db2.gz BCVFTZVUHXWHMQ-JTQLQIEISA-N 1 0 381.361 2.972 20 0 GFADRO CCC(=O)N1CCC[N@H+](CCC(=O)Nc2ccc(Br)cc2)CC1 ZINC000122748557 551301364 /nfs/dbraw/zinc/30/13/64/551301364.db2.gz MKMGSGFACMQQNN-UHFFFAOYSA-N 1 0 382.302 2.722 20 0 GFADRO CN(CCCN1CC[NH+](C)CC1)C(=O)CCCc1ccccc1Br ZINC000123403320 551306603 /nfs/dbraw/zinc/30/66/03/551306603.db2.gz YVRPDOREXJGJMD-UHFFFAOYSA-N 1 0 396.373 2.868 20 0 GFADRO O=C(NCC[NH+]1CCCCC1)c1c(F)cccc1I ZINC000123881325 551309973 /nfs/dbraw/zinc/30/99/73/551309973.db2.gz UVZBTJQICPKNHJ-UHFFFAOYSA-N 1 0 376.213 2.646 20 0 GFADRO Cc1cc(C[N@@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)sc1Br ZINC000124473636 551315176 /nfs/dbraw/zinc/31/51/76/551315176.db2.gz QOHCCNREDPMEOM-CYBMUJFWSA-N 1 0 387.343 2.890 20 0 GFADRO O=C(c1cnccn1)N1CCC([NH2+]Cc2cccc(Br)c2)CC1 ZINC000124656871 551316100 /nfs/dbraw/zinc/31/61/00/551316100.db2.gz QSFSPGOIUKSALR-UHFFFAOYSA-N 1 0 375.270 2.634 20 0 GFADRO CC(C)[NH+](CCNC(=O)c1ccc(Br)cc1-n1cncn1)C(C)C ZINC000124766718 551317623 /nfs/dbraw/zinc/31/76/23/551317623.db2.gz PPZHRVIXHMZIHD-UHFFFAOYSA-N 1 0 394.317 2.878 20 0 GFADRO CC[NH2+]CC1CCN(S(=O)(=O)c2cc(F)ccc2Br)CC1 ZINC000124817772 551317880 /nfs/dbraw/zinc/31/78/80/551317880.db2.gz BFCWNBZHVLPKRB-UHFFFAOYSA-N 1 0 379.295 2.598 20 0 GFADRO O=C(CSCC(F)(F)F)NCc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000125148737 551319869 /nfs/dbraw/zinc/31/98/69/551319869.db2.gz QKQJKYDDIMATQT-OAHLLOKOSA-N 1 0 376.444 2.555 20 0 GFADRO COc1cc(CNC(=O)c2cc(Br)c[nH]2)ccc1OCC[NH+](C)C ZINC000125482102 551321894 /nfs/dbraw/zinc/32/18/94/551321894.db2.gz YVZUNJRXVZCETO-UHFFFAOYSA-N 1 0 396.285 2.656 20 0 GFADRO C[C@H]([NH2+]C[C@]1(CCO)CCOC1)c1ccc(I)cc1 ZINC000125763488 551324067 /nfs/dbraw/zinc/32/40/67/551324067.db2.gz YPECUISACJSQIG-WFASDCNBSA-N 1 0 375.250 2.731 20 0 GFADRO COc1cc(Br)ccc1C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000126281710 551327358 /nfs/dbraw/zinc/32/73/58/551327358.db2.gz RRRFTWDRDHVGMO-UHFFFAOYSA-N 1 0 397.313 2.642 20 0 GFADRO CN(C)S(=O)(=O)CCC[N@@H+]1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000126412309 551329477 /nfs/dbraw/zinc/32/94/77/551329477.db2.gz LPUUKKWTSSWPNW-ZDUSSCGKSA-N 1 0 381.325 2.728 20 0 GFADRO O=S1(=O)CCC[C@H]1C[NH2+]Cc1cc(Br)ccc1OC(F)F ZINC000126719403 551331895 /nfs/dbraw/zinc/33/18/95/551331895.db2.gz SJAKUQXGHGZTRV-NSHDSACASA-N 1 0 384.242 2.717 20 0 GFADRO C[NH+](C)C[C@H]1CCN(C(=O)Nc2cnn(-c3ncc(Cl)cc3Cl)c2)C1 ZINC000127181432 551337872 /nfs/dbraw/zinc/33/78/72/551337872.db2.gz BOGXKDMNYDMHHK-LLVKDONJSA-N 1 0 383.283 2.990 20 0 GFADRO Cc1nc(NC(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)ccc1Br ZINC000128558638 551350581 /nfs/dbraw/zinc/35/05/81/551350581.db2.gz MDVKSTCRWXPQKW-RYUDHWBXSA-N 1 0 385.306 2.773 20 0 GFADRO C[N@H+](CCCO)C1CCN(C(=O)c2c[nH]c3cccc(Br)c32)CC1 ZINC000128982605 551354755 /nfs/dbraw/zinc/35/47/55/551354755.db2.gz QREKDHLXAXWGDQ-UHFFFAOYSA-N 1 0 394.313 2.849 20 0 GFADRO Cc1ccc(CN2CCC[N@H+](CC(=O)N3CCCC3)CC2)cc1Br ZINC000129302542 551356131 /nfs/dbraw/zinc/35/61/31/551356131.db2.gz YTWNSWHFNOOKTB-UHFFFAOYSA-N 1 0 394.357 2.888 20 0 GFADRO COc1ccc(CC[NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)cc1S(N)(=O)=O ZINC000130321324 551363266 /nfs/dbraw/zinc/36/32/66/551363266.db2.gz MWBKDZBKZWGSKR-QWHCGFSZSA-N 1 0 380.432 2.596 20 0 GFADRO CC[NH+]1CCN(CCC(=O)NC2(c3ccc(Br)cc3)CC2)CC1 ZINC000130574606 551366872 /nfs/dbraw/zinc/36/68/72/551366872.db2.gz NBMDMGXCRIXTBV-UHFFFAOYSA-N 1 0 380.330 2.582 20 0 GFADRO O=C(C[C@@H]1CSCC[NH2+]1)N[C@H]1CCCN(Cc2ccc(F)cc2Cl)C1 ZINC000133811007 551384195 /nfs/dbraw/zinc/38/41/95/551384195.db2.gz FYCFRXJVGNRSBM-JKSUJKDBSA-N 1 0 385.936 2.655 20 0 GFADRO COC[C@H]([NH2+][C@H](C)C(=O)Nc1ccc(I)cc1)C1CC1 ZINC000136666623 551390049 /nfs/dbraw/zinc/39/00/49/551390049.db2.gz DGWXPEWBSBOXNX-YGRLFVJLSA-N 1 0 388.249 2.633 20 0 GFADRO C[C@H]1C[C@H](N(C)C(=O)NCCOc2ncc(Cl)cc2Cl)CC[N@@H+]1C ZINC000151036215 551406254 /nfs/dbraw/zinc/40/62/54/551406254.db2.gz WHVZHPZSWKVMSB-WCQYABFASA-N 1 0 375.300 2.891 20 0 GFADRO O[C@H](COc1c(Cl)cccc1Cl)CN1CCN(c2cc[nH+]cc2)CC1 ZINC000151109513 551407521 /nfs/dbraw/zinc/40/75/21/551407521.db2.gz MVYPBJAISZVGKA-HNNXBMFYSA-N 1 0 382.291 2.950 20 0 GFADRO O=S(=O)(C1CC1)N1CCC([NH2+]Cc2c(Cl)cccc2OC(F)F)CC1 ZINC000151274313 551410368 /nfs/dbraw/zinc/41/03/68/551410368.db2.gz LXUBCGFZTQGOOT-UHFFFAOYSA-N 1 0 394.871 2.988 20 0 GFADRO O[C@H](COc1ccc(Cl)cc1Cl)CN1CCN(c2cc[nH+]cc2)CC1 ZINC000151298809 551410931 /nfs/dbraw/zinc/41/09/31/551410931.db2.gz OWIZUIMVPHJCPL-INIZCTEOSA-N 1 0 382.291 2.950 20 0 GFADRO O=C(NCC[NH+]1CCCCC1)C(=O)Nc1cc(Cl)ccc1Br ZINC000151399407 551412991 /nfs/dbraw/zinc/41/29/91/551412991.db2.gz VCLVCRLEISAZSA-UHFFFAOYSA-N 1 0 388.693 2.643 20 0 GFADRO CCC[N@H+](CC)CCNC(=O)c1ccc(OC)cc1I ZINC000151602883 551417801 /nfs/dbraw/zinc/41/78/01/551417801.db2.gz QLIPECVWEXVYQL-UHFFFAOYSA-N 1 0 390.265 2.762 20 0 GFADRO CC(C)(C[NH3+])NC(=O)Cc1ccc(NC(=O)c2ccc(Br)o2)cc1 ZINC000151896754 551423317 /nfs/dbraw/zinc/42/33/17/551423317.db2.gz ZVMNAVDTQGDABV-UHFFFAOYSA-N 1 0 394.269 2.690 20 0 GFADRO C[NH+](C)CCOc1ccc(CNC(=O)c2ccncc2Br)cc1 ZINC000152004014 551424171 /nfs/dbraw/zinc/42/41/71/551424171.db2.gz WRCAWRJBLCNWRS-UHFFFAOYSA-N 1 0 378.270 2.715 20 0 GFADRO Cc1ccsc1[C@@H](C)[NH2+]Cc1ccc(S(=O)(=O)N2CCOCC2)s1 ZINC000152144074 551426679 /nfs/dbraw/zinc/42/66/79/551426679.db2.gz PUGRMQWAUTVWFG-CYBMUJFWSA-N 1 0 386.564 2.990 20 0 GFADRO CC(C)(C)[N@H+](CCC(=O)Nc1ccc(Cl)cc1F)CCS(C)(=O)=O ZINC000152276961 551429337 /nfs/dbraw/zinc/42/93/37/551429337.db2.gz WQGLNUDSEMDQLY-UHFFFAOYSA-N 1 0 378.897 2.953 20 0 GFADRO COc1ccc(Cl)cc1NC(=O)CC[N@H+](CCS(C)(=O)=O)C(C)(C)C ZINC000152255554 551429430 /nfs/dbraw/zinc/42/94/30/551429430.db2.gz NJPAAIJLSDBNCK-UHFFFAOYSA-N 1 0 390.933 2.822 20 0 GFADRO C[C@@H]1C[C@@H]([NH2+]CCCNC(=O)c2cccc(Br)c2)CN1C1CC1 ZINC000152687416 551438111 /nfs/dbraw/zinc/43/81/11/551438111.db2.gz RLDKLVJORZZCKV-CZUORRHYSA-N 1 0 380.330 2.784 20 0 GFADRO CCO[C@@H]1C[C@@H](O)C12CC[NH+](C[C@H](O)c1ccccc1Br)CC2 ZINC000152997800 551444380 /nfs/dbraw/zinc/44/43/80/551444380.db2.gz HHAQFBRQOVFEKR-GVDBMIGSSA-N 1 0 384.314 2.734 20 0 GFADRO Cn1cc(Br)cc1C(=O)Nc1ccc(OC2CC[NH+](C)CC2)nc1 ZINC000153039157 551445309 /nfs/dbraw/zinc/44/53/09/551445309.db2.gz MOCWLLNRYCWLLO-UHFFFAOYSA-N 1 0 393.285 2.908 20 0 GFADRO CCN(Cc1ccc(C[NH+](C)C)cc1)S(=O)(=O)c1cc(Cl)cnc1N ZINC000153096975 551446235 /nfs/dbraw/zinc/44/62/35/551446235.db2.gz JAWIGVBTESBYKO-UHFFFAOYSA-N 1 0 382.917 2.590 20 0 GFADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)Cc2ccccc2I)C1 ZINC000153339656 551450475 /nfs/dbraw/zinc/45/04/75/551450475.db2.gz HRWCWIBPXBDNBX-ZDUSSCGKSA-N 1 0 386.277 2.634 20 0 GFADRO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)c2cc(Cl)c(N)c(Cl)c2)CC1 ZINC000153515814 551454299 /nfs/dbraw/zinc/45/42/99/551454299.db2.gz TYQCYSDONJXBSU-AWEZNQCLSA-N 1 0 385.339 2.818 20 0 GFADRO C[N@@H+]1CCC[C@H](CNS(=O)(=O)c2ccc(Br)c(Cl)c2)C1 ZINC000153514665 551454409 /nfs/dbraw/zinc/45/44/09/551454409.db2.gz QTAXSVKOVJVMPE-SNVBAGLBSA-N 1 0 381.723 2.723 20 0 GFADRO CSC[C@](C)(O)C[NH2+][C@H](C)CC(=O)Nc1cccc(Br)c1 ZINC000153621143 551456914 /nfs/dbraw/zinc/45/69/14/551456914.db2.gz WEAILVUDMUXEGS-IAQYHMDHSA-N 1 0 375.332 2.870 20 0 GFADRO C[C@@H](Cn1cc(Br)cn1)[NH2+]CC1(N2CCOCC2)CCCCC1 ZINC000154174104 551469035 /nfs/dbraw/zinc/46/90/35/551469035.db2.gz VVRMYNTZSIWOSR-HNNXBMFYSA-N 1 0 385.350 2.659 20 0 GFADRO C[C@@H]([NH2+]CCNc1ncc(Cl)cc1Cl)c1ccc(S(N)(=O)=O)cc1 ZINC000154214399 551470046 /nfs/dbraw/zinc/47/00/46/551470046.db2.gz QVANEKJTTOMADC-SNVBAGLBSA-N 1 0 389.308 2.799 20 0 GFADRO CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(Cl)c(Br)c2)CC1 ZINC000154386085 551473777 /nfs/dbraw/zinc/47/37/77/551473777.db2.gz BIWCWXZVYMTVOF-UHFFFAOYSA-N 1 0 388.693 2.642 20 0 GFADRO C[C@H](Cc1ccc(Br)cc1)C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000154727079 551481764 /nfs/dbraw/zinc/48/17/64/551481764.db2.gz YXGSGOFQBNETAW-JKSUJKDBSA-N 1 0 396.373 2.627 20 0 GFADRO C[C@@H](Cc1ccc(Br)cc1)C(=O)NCC1([NH+](C)C)CCOCC1 ZINC000155047947 551489636 /nfs/dbraw/zinc/48/96/36/551489636.db2.gz FRDYZFKRYYETSJ-AWEZNQCLSA-N 1 0 383.330 2.855 20 0 GFADRO C[C@H]1CN(C(=O)c2cc(I)cc(C(F)(F)F)c2)CC[NH2+]1 ZINC000155149399 551492690 /nfs/dbraw/zinc/49/26/90/551492690.db2.gz YKWMZTMMBSSLGN-QMMMGPOBSA-N 1 0 398.166 2.744 20 0 GFADRO Cc1cccc(S(=O)(=O)NCCc2cn3c(n2)CCCC3)c1Br ZINC000155247418 551495389 /nfs/dbraw/zinc/49/53/89/551495389.db2.gz NSHLRUVNHZUPJI-UHFFFAOYSA-N 1 0 398.326 2.811 20 0 GFADRO [NH3+][C@H](Cc1ccccc1)C(=O)N1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000155319980 551496933 /nfs/dbraw/zinc/49/69/33/551496933.db2.gz NOGJZFVXKSVNTL-MSOLQXFVSA-N 1 0 389.293 2.919 20 0 GFADRO O=C(NC[C@H](O)c1ccc(Cl)cc1Cl)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC000155317392 551497136 /nfs/dbraw/zinc/49/71/36/551497136.db2.gz MUJGSFPESZAKNO-IRXDYDNUSA-N 1 0 387.307 2.786 20 0 GFADRO Cc1cccc(S(=O)(=O)NC[C@@H](C)C[NH+]2CCCC2)c1Br ZINC000155390360 551498990 /nfs/dbraw/zinc/49/89/90/551498990.db2.gz MWHUZAQUPQFYQF-GFCCVEGCSA-N 1 0 375.332 2.768 20 0 GFADRO CC(C)C[C@@H](C[NH3+])NC(=O)c1nn(-c2ccc(F)cc2)cc1Br ZINC000155525198 551501587 /nfs/dbraw/zinc/50/15/87/551501587.db2.gz XROPJQAQLASYKR-LBPRGKRZSA-N 1 0 383.265 2.877 20 0 GFADRO CC[C@H](C(=O)N[C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1)[NH+](C)C ZINC000155839493 551509154 /nfs/dbraw/zinc/50/91/54/551509154.db2.gz COBXGZWBRBFKGS-WCQYABFASA-N 1 0 378.826 2.789 20 0 GFADRO CC[N@@H+]1CCCC[C@H]1CNS(=O)(=O)c1cc(F)ccc1Br ZINC000156091998 551514162 /nfs/dbraw/zinc/51/41/62/551514162.db2.gz VHXQHHBMRKOBPS-LBPRGKRZSA-N 1 0 379.295 2.741 20 0 GFADRO C[C@@H](CNC(=O)C(=O)Nc1ccc(Cl)cc1Br)[N@H+](C)C1CC1 ZINC000156121035 551514808 /nfs/dbraw/zinc/51/48/08/551514808.db2.gz TXALEBKQWYMEEG-VIFPVBQESA-N 1 0 388.693 2.640 20 0 GFADRO [NH3+][C@@H](Cc1ccccc1)C(=O)N1CCO[C@H](c2cccc(Br)c2)C1 ZINC000156168710 551516589 /nfs/dbraw/zinc/51/65/89/551516589.db2.gz RDMYIXWECOQMAI-ROUUACIJSA-N 1 0 389.293 2.919 20 0 GFADRO COC(=O)Cn1cc(CC[N@@H+]2CCC[C@H]2c2ccc(Br)cc2)nn1 ZINC000156265714 551518768 /nfs/dbraw/zinc/51/87/68/551518768.db2.gz SNXXNWLQNCXIPN-INIZCTEOSA-N 1 0 393.285 2.593 20 0 GFADRO C[NH+]1CCC(CCNC(=O)c2ccc(F)cc2I)CC1 ZINC000156404276 551522533 /nfs/dbraw/zinc/52/25/33/551522533.db2.gz CAVBBBSPXUYTJH-UHFFFAOYSA-N 1 0 390.240 2.892 20 0 GFADRO C[NH+](C)CCn1ccc(NC(=O)Cc2c[nH]c3cc(Br)ccc23)n1 ZINC000156562362 551524982 /nfs/dbraw/zinc/52/49/82/551524982.db2.gz AGWZIEWMWULBSI-UHFFFAOYSA-N 1 0 390.285 2.870 20 0 GFADRO C[C@H]1CCCN(C(=O)Cc2csc(NC(=O)c3cccs3)n2)[C@H]1C[NH3+] ZINC000156951997 551530880 /nfs/dbraw/zinc/53/08/80/551530880.db2.gz BMZQPEDGRZLVEM-AAEUAGOBSA-N 1 0 378.523 2.585 20 0 GFADRO O=S1(=O)CC[C@H](N(CC2=Cc3cc(Br)ccc3OC2)C2CC2)C1 ZINC000157072274 551532607 /nfs/dbraw/zinc/53/26/07/551532607.db2.gz CSOHNDSNVRIDOE-INIZCTEOSA-N 1 0 398.322 2.876 20 0 GFADRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)COc2ccc(C=O)cc2Br)C1 ZINC000157150826 551533641 /nfs/dbraw/zinc/53/36/41/551533641.db2.gz LOAQQAZOKWTEQP-GDBMZVCRSA-N 1 0 395.297 2.583 20 0 GFADRO CC[NH+](CC)Cc1ccc(CNC(=O)c2cc(S(C)(=O)=O)cs2)cc1 ZINC000157509418 551538454 /nfs/dbraw/zinc/53/84/54/551538454.db2.gz SAAILSNLDLJLNZ-UHFFFAOYSA-N 1 0 380.535 2.923 20 0 GFADRO C[C@H](SCC[NH+](C)C)C(=O)Nc1cccc(I)c1 ZINC000157831337 551543425 /nfs/dbraw/zinc/54/34/25/551543425.db2.gz BGRXVNUMZGEXPH-JTQLQIEISA-N 1 0 378.279 2.913 20 0 GFADRO [NH3+][C@H]1CCCN(C(=O)c2cccn2-c2cccc(I)c2)C1 ZINC000158350010 551550501 /nfs/dbraw/zinc/55/05/01/551550501.db2.gz DJNZAEOVKYWYHU-ZDUSSCGKSA-N 1 0 395.244 2.645 20 0 GFADRO Cc1ccc(I)cc1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000158570456 551554030 /nfs/dbraw/zinc/55/40/30/551554030.db2.gz KTAMYGZUIKHERL-KGLIPLIRSA-N 1 0 384.261 2.908 20 0 GFADRO CC[C@H]([NH2+]C1CCN(S(=O)(=O)c2c(C)n[nH]c2C)CC1)c1cccs1 ZINC000158709056 551555510 /nfs/dbraw/zinc/55/55/10/551555510.db2.gz MOHRLFLYCJYQLQ-HNNXBMFYSA-N 1 0 382.555 2.982 20 0 GFADRO CC[NH+]1CCN([C@H](C)CNC(=O)[C@H](C)c2ccc(Br)cc2)CC1 ZINC000158886197 551558237 /nfs/dbraw/zinc/55/82/37/551558237.db2.gz UCDBNMHNKBFZAQ-HUUCEWRRSA-N 1 0 382.346 2.695 20 0 GFADRO C[C@@H]([NH2+]C[C@](C)(O)c1ccsc1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000159961109 551573903 /nfs/dbraw/zinc/57/39/03/551573903.db2.gz CMAIWWDDRYLQOK-KDOFPFPSSA-N 1 0 380.535 2.846 20 0 GFADRO O=C(N[C@H](c1cccc(F)c1)c1cccc(Br)c1)[C@H]1C[NH2+]CCO1 ZINC000161791099 551598519 /nfs/dbraw/zinc/59/85/19/551598519.db2.gz HGOJWSMTJKKBLP-SJORKVTESA-N 1 0 393.256 2.782 20 0 GFADRO C[NH+](C)C[C@H](Cc1ccccc1)N[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000161974602 551601984 /nfs/dbraw/zinc/60/19/84/551601984.db2.gz OHUAYFOTILKDCY-ZWKOTPCHSA-N 1 0 390.325 2.738 20 0 GFADRO O=C(c1ccc(C[NH+]2CCSCC2)cc1)N1CCS[C@@H]2COCC[C@@H]21 ZINC000162429316 551608635 /nfs/dbraw/zinc/60/86/35/551608635.db2.gz PLAGOVKTHHHSNO-ZWKOTPCHSA-N 1 0 378.563 2.582 20 0 GFADRO CCCC[C@@H](C[NH3+])NC(=O)[C@@H](NC(=O)c1ccccc1Br)C(C)C ZINC000162783208 551612674 /nfs/dbraw/zinc/61/26/74/551612674.db2.gz HPIZSXBSIHGGHK-BBRMVZONSA-N 1 0 398.345 2.837 20 0 GFADRO Cc1ccc(N2CCC([NH2+][C@@H](C)Cn3cc(Br)cn3)CC2)nc1 ZINC000163493781 551620033 /nfs/dbraw/zinc/62/00/33/551620033.db2.gz DRUMPAMIJACYCB-AWEZNQCLSA-N 1 0 378.318 2.996 20 0 GFADRO Cc1[nH]c(=O)c(C(=O)N2CCC(C[NH+]3CCCC3)CC2)cc1Br ZINC000164232743 551624357 /nfs/dbraw/zinc/62/43/57/551624357.db2.gz JVMUPLOXLHUQDK-UHFFFAOYSA-N 1 0 382.302 2.806 20 0 GFADRO Cc1cc(N2CCC[C@@H](NC3CC[NH+](C)CC3)C2=O)ccc1Br ZINC000164781689 551627203 /nfs/dbraw/zinc/62/72/03/551627203.db2.gz CVFLCFCLKNARNQ-QGZVFWFLSA-N 1 0 380.330 2.937 20 0 GFADRO C[C@H]([NH2+]CCNC(=O)c1ccccc1Cl)c1ccc(S(C)(=O)=O)cc1 ZINC000165526218 551629790 /nfs/dbraw/zinc/62/97/90/551629790.db2.gz CONUWKIFORDKLM-ZDUSSCGKSA-N 1 0 380.897 2.824 20 0 GFADRO [NH3+][C@@H](Cc1ccccc1)C(=O)N[C@@H]1CCN(c2ccccc2Br)C1 ZINC000168634741 551634650 /nfs/dbraw/zinc/63/46/50/551634650.db2.gz WUOMNSAPATZYLY-WBVHZDCISA-N 1 0 388.309 2.714 20 0 GFADRO C[NH+](C)[C@H]1CCN(C(=O)NC[C@H]2CCN(c3ccc(Br)cc3)C2)C1 ZINC000170832865 551641170 /nfs/dbraw/zinc/64/11/70/551641170.db2.gz MOVADAFNMGFEKY-PBHICJAKSA-N 1 0 395.345 2.621 20 0 GFADRO C[C@@H](NC(=O)C[N@@H+]1CCC[C@H](C2OCCO2)C1)c1ccc(Br)cc1 ZINC000171376574 551653644 /nfs/dbraw/zinc/65/36/44/551653644.db2.gz MEUJHNVPPVRFGJ-HIFRSBDPSA-N 1 0 397.313 2.711 20 0 GFADRO COc1cc(Br)c(C[NH2+]CCN2CCOC(C)(C)C2)cc1OC ZINC000171767423 551662597 /nfs/dbraw/zinc/66/25/97/551662597.db2.gz TYTBJPKQGMSKIP-UHFFFAOYSA-N 1 0 387.318 2.667 20 0 GFADRO CC(C)Oc1ccc(C[NH2+]CC2CCN(S(=O)(=O)C(F)F)CC2)cc1 ZINC000171841712 551665124 /nfs/dbraw/zinc/66/51/24/551665124.db2.gz ROPIFBWXQAJISF-UHFFFAOYSA-N 1 0 376.469 2.828 20 0 GFADRO O=S(=O)(Cc1ccccc1C(F)(F)F)NC1CC[NH+](CC2CC2)CC1 ZINC000172091574 551670059 /nfs/dbraw/zinc/67/00/59/551670059.db2.gz YMRKNXQKQUCWIP-UHFFFAOYSA-N 1 0 376.444 2.999 20 0 GFADRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(Cc2cncc(Br)c2)CC1 ZINC000172191030 551673198 /nfs/dbraw/zinc/67/31/98/551673198.db2.gz WYLKRPUAPAHDBH-IYBDPMFKSA-N 1 0 381.362 2.835 20 0 GFADRO O=C(NCCCC[N@H+]1CCC[C@@H]1CO)Nc1ccc(Br)cc1F ZINC000172654128 551684200 /nfs/dbraw/zinc/68/42/00/551684200.db2.gz SDFVVVWVQSIXAE-CYBMUJFWSA-N 1 0 388.281 2.947 20 0 GFADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](C)c1ccc(Br)s1 ZINC000173074061 551694333 /nfs/dbraw/zinc/69/43/33/551694333.db2.gz RMMSHENCUAGFJC-NWDGAFQWSA-N 1 0 375.332 2.841 20 0 GFADRO COc1c(Br)c(C)sc1C(=O)N[C@H](C)[C@@H](C)N1CCOCC1 ZINC000173084766 551695007 /nfs/dbraw/zinc/69/50/07/551695007.db2.gz DUOKOQWEIPKSES-NXEZZACHSA-N 1 0 391.331 2.667 20 0 GFADRO C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)c1cc(Br)cs1 ZINC000173104007 551695980 /nfs/dbraw/zinc/69/59/80/551695980.db2.gz NLZLPNSDQGSAMH-UHFFFAOYSA-N 1 0 382.283 2.923 20 0 GFADRO CCCC[C@@H](C[NH3+])NC(=O)C(=O)Nc1ccc(Br)c(Cl)c1 ZINC000415492529 563778758 /nfs/dbraw/zinc/77/87/58/563778758.db2.gz FKRZQITXEQUYDS-JTQLQIEISA-N 1 0 376.682 2.675 20 0 GFADRO COc1cc(I)ccc1NC(=O)NCCC[NH2+]C1CC1 ZINC000415771587 563795638 /nfs/dbraw/zinc/79/56/38/563795638.db2.gz HZRKPDWRHJJXRE-UHFFFAOYSA-N 1 0 389.237 2.563 20 0 GFADRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)S(=O)(=O)c1cc(Br)ccc1F ZINC000173244828 552080781 /nfs/dbraw/zinc/08/07/81/552080781.db2.gz UVVRXGZNSNQCIT-MFKMUULPSA-N 1 0 379.295 2.549 20 0 GFADRO Cc1cc(NC(=O)C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)ccc1Br ZINC000173452772 552085718 /nfs/dbraw/zinc/08/57/18/552085718.db2.gz HTRFFCVLCBSPDX-GOOCMWNKSA-N 1 0 394.313 2.828 20 0 GFADRO CC[C@H](NC(=O)CCN1CC[NH+](CC)CC1)c1nc(C(F)(F)F)cs1 ZINC000173497370 552086763 /nfs/dbraw/zinc/08/67/63/552086763.db2.gz OUFOZIDFAACZCC-LBPRGKRZSA-N 1 0 378.464 2.757 20 0 GFADRO NC(=O)[C@H](c1ccc(Br)cc1F)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000173598942 552088611 /nfs/dbraw/zinc/08/86/11/552088611.db2.gz JFSJXINNULSHKY-DYVFJYSZSA-N 1 0 398.320 2.922 20 0 GFADRO CC[NH+](CC)C[C@H]1CCN(C(=O)c2cc3c(c(Br)c2)OCO3)C1 ZINC000173586584 552088649 /nfs/dbraw/zinc/08/86/49/552088649.db2.gz YNHSMEYTARYBTR-GFCCVEGCSA-N 1 0 383.286 2.982 20 0 GFADRO CN(CC[C@H]1CCCC[N@@H+]1C)[C@H](C(N)=O)c1ccc(Br)cc1F ZINC000173640097 552089704 /nfs/dbraw/zinc/08/97/04/552089704.db2.gz KYUCRKDTNLGFQI-CJNGLKHVSA-N 1 0 386.309 2.921 20 0 GFADRO C[NH+]1CCC(C(=O)Nc2cc(Br)ccc2N2CCOCC2)CC1 ZINC000173672398 552090733 /nfs/dbraw/zinc/09/07/33/552090733.db2.gz VOMHUAZBVUKBTD-UHFFFAOYSA-N 1 0 382.302 2.566 20 0 GFADRO O=C(N1CC[C@@H](C[NH+]2CCOCC2)C1)C1(c2ccc(Br)cc2)CC1 ZINC000174166805 552101239 /nfs/dbraw/zinc/10/12/39/552101239.db2.gz CHYDDWIWUMQLCK-HNNXBMFYSA-N 1 0 393.325 2.661 20 0 GFADRO CNC(=O)CC1CC[NH+](C[C@@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000175025477 552114253 /nfs/dbraw/zinc/11/42/53/552114253.db2.gz YWWRMMBGQBKQKO-CQSZACIVSA-N 1 0 375.296 2.581 20 0 GFADRO C[NH+](C)C1CCN(CCNC(=O)NCCSc2ccc(Cl)cc2)CC1 ZINC000175552853 552124605 /nfs/dbraw/zinc/12/46/05/552124605.db2.gz VTVVFAPEGIUPJD-UHFFFAOYSA-N 1 0 384.977 2.757 20 0 GFADRO Cc1cc(CCC(=O)N2CC[NH+](CC(C)(C)O)CC2)ccc1Br ZINC000176017313 552134218 /nfs/dbraw/zinc/13/42/18/552134218.db2.gz VKEYTUORVPLZIQ-UHFFFAOYSA-N 1 0 383.330 2.605 20 0 GFADRO CC[NH+]1CCN(CCCNC(=O)CCc2ccc(Br)cc2)CC1 ZINC000176062666 552134975 /nfs/dbraw/zinc/13/49/75/552134975.db2.gz OCHIZIPOBHTWMU-UHFFFAOYSA-N 1 0 382.346 2.526 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)Nc1cccc(S(=O)(=O)C(F)F)c1 ZINC000176340301 552138911 /nfs/dbraw/zinc/13/89/11/552138911.db2.gz WYHPNXMNMKOWEK-ZDUSSCGKSA-N 1 0 375.441 2.631 20 0 GFADRO CC1(O)CC[NH+](C[C@@H](O)COc2ccc(Cl)cc2Br)CC1 ZINC000177304160 552152857 /nfs/dbraw/zinc/15/28/57/552152857.db2.gz AQRFCQXDWUCFSK-GFCCVEGCSA-N 1 0 378.694 2.689 20 0 GFADRO COc1cccc([C@H](C)[NH2+]CC2CCN(S(=O)(=O)C(F)(F)F)CC2)c1 ZINC000177328082 552153276 /nfs/dbraw/zinc/15/32/76/552153276.db2.gz OTPHQFHEFLRSIT-LBPRGKRZSA-N 1 0 380.432 2.907 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)c2c[nH]c(=O)c(Br)c2)C[N@@H+]1Cc1ccccc1 ZINC000177454738 552155009 /nfs/dbraw/zinc/15/50/09/552155009.db2.gz MZUMIKROXPKXAE-DOMZBBRYSA-N 1 0 390.281 2.530 20 0 GFADRO C[C@H]([NH2+]CCc1ccsc1)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000177726861 552157545 /nfs/dbraw/zinc/15/75/45/552157545.db2.gz AVNGJVQGIVKHRU-HNNXBMFYSA-N 1 0 380.535 2.662 20 0 GFADRO CC(C)OCCOC[C@@H](O)C[N@H+](C)Cc1ccc(Br)c(F)c1 ZINC000177733126 552158302 /nfs/dbraw/zinc/15/83/02/552158302.db2.gz CWUIGXFPEWYVKX-AWEZNQCLSA-N 1 0 378.282 2.823 20 0 GFADRO COC(=O)c1ccc(Cl)cc1S(=O)(=O)NC[C@H](C)[NH+]1CCC(C)CC1 ZINC000178526628 552171799 /nfs/dbraw/zinc/17/17/99/552171799.db2.gz ZCDDOTSJXYZMPH-ZDUSSCGKSA-N 1 0 388.917 2.525 20 0 GFADRO C[N@H+](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)CC1(O)CCOCC1 ZINC000178840661 552176962 /nfs/dbraw/zinc/17/69/62/552176962.db2.gz VZDXCLVZOGNAHD-UHFFFAOYSA-N 1 0 380.794 2.771 20 0 GFADRO C[C@H]([NH3+])C1CCN(C(=O)/C=C/c2cc(Br)c3c(c2)OCCO3)CC1 ZINC000178853181 552176983 /nfs/dbraw/zinc/17/69/83/552176983.db2.gz OQWYAHRXEFWJOM-JDGPPOGSSA-N 1 0 395.297 2.819 20 0 GFADRO C[C@H]([NH3+])C1CCN(C(=O)Cc2csc(NC(=O)c3cccs3)n2)CC1 ZINC000178866311 552177682 /nfs/dbraw/zinc/17/76/82/552177682.db2.gz NGKSMLCHMWMVPB-NSHDSACASA-N 1 0 378.523 2.585 20 0 GFADRO C[C@H]([NH3+])C1CCN(C(=O)c2c(F)cccc2I)CC1 ZINC000178872111 552178298 /nfs/dbraw/zinc/17/82/98/552178298.db2.gz KRVDZJWFSGPRBB-VIFPVBQESA-N 1 0 376.213 2.630 20 0 GFADRO C[NH2+]C1CCN(C(=O)c2nn(-c3ccc(F)cc3)cc2Br)CC1 ZINC000179142094 552184900 /nfs/dbraw/zinc/18/49/00/552184900.db2.gz FCQVLWUNNYYZSH-UHFFFAOYSA-N 1 0 381.249 2.598 20 0 GFADRO C[C@@H](NCc1ccnc(N2CC[NH+](C)CC2)c1)c1ncc(Br)s1 ZINC000179205837 552186684 /nfs/dbraw/zinc/18/66/84/552186684.db2.gz CIELWIDOIQDZAR-GFCCVEGCSA-N 1 0 396.358 2.903 20 0 GFADRO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]C[C@@H](O)c2ccc(Cl)c(F)c2)c1 ZINC000179502061 552195076 /nfs/dbraw/zinc/19/50/76/552195076.db2.gz HGJOKTJMSDQGKB-PIGZYNQJSA-N 1 0 386.876 2.771 20 0 GFADRO C[C@@H]1C[N@@H+](C2CCN(C(=O)COc3ccccc3Br)CC2)CCO1 ZINC000179524830 552195660 /nfs/dbraw/zinc/19/56/60/552195660.db2.gz XOJWGSAEQVDRLM-CQSZACIVSA-N 1 0 397.313 2.540 20 0 GFADRO C[N@@H+]1CCCN(C(=O)c2cc(Br)cc(Br)c2)CC1 ZINC000179629279 552198405 /nfs/dbraw/zinc/19/84/05/552198405.db2.gz FHDKJKFEGQKJCR-UHFFFAOYSA-N 1 0 376.092 2.989 20 0 GFADRO CC[NH+](CC)C[C@H]1CCN(S(=O)(=O)c2nc(C)c(Br)s2)C1 ZINC000180095283 552212747 /nfs/dbraw/zinc/21/27/47/552212747.db2.gz XRFSRSBFLQOAAT-LLVKDONJSA-N 1 0 396.376 2.566 20 0 GFADRO C[C@@H](O)C[N@@H+]1CCN(C(=O)Nc2ccc(Cl)c(OC(F)F)c2)C[C@H]1C ZINC000180128276 552214194 /nfs/dbraw/zinc/21/41/94/552214194.db2.gz JCGWHHAPGMHUGS-GHMZBOCLSA-N 1 0 377.819 2.860 20 0 GFADRO COc1cc[nH+]c(N2CCN(S(=O)(=O)c3cccc(C)c3Cl)CC2)c1 ZINC000180268296 552219579 /nfs/dbraw/zinc/21/95/79/552219579.db2.gz CSZGAYAAYLHEAK-UHFFFAOYSA-N 1 0 381.885 2.563 20 0 GFADRO CC(C)NS(=O)(=O)CC[NH2+][C@@H]1CCCOc2c(Br)cccc21 ZINC000180464403 552226925 /nfs/dbraw/zinc/22/69/25/552226925.db2.gz IMUAKXNTPHZSRG-CQSZACIVSA-N 1 0 391.331 2.580 20 0 GFADRO Cc1nc(-c2cc3c(s2)CC[N@H+](CCCOC(=O)NC(N)=O)C3)cs1 ZINC000180878015 552238832 /nfs/dbraw/zinc/23/88/32/552238832.db2.gz IXIZGKRAJGTXPU-UHFFFAOYSA-N 1 0 380.495 2.733 20 0 GFADRO C[C@H]([NH2+]Cc1ccccc1S(=O)(=O)N(C)CCO)c1ccc(Cl)cc1 ZINC000180884208 552239158 /nfs/dbraw/zinc/23/91/58/552239158.db2.gz QMAOMOFYMIEGJA-AWEZNQCLSA-N 1 0 382.913 2.804 20 0 GFADRO C[C@H]([NH2+][C@H]1CC(=O)N(CCN2CCOCC2)C1)c1cccc(Cl)c1Cl ZINC000181039141 552243650 /nfs/dbraw/zinc/24/36/50/552243650.db2.gz DFRVPAJUYCIHQL-KBPBESRZSA-N 1 0 386.323 2.577 20 0 GFADRO CCNC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2ccc(I)cc2)C1 ZINC000181334362 552253683 /nfs/dbraw/zinc/25/36/83/552253683.db2.gz PNOMILQTSOJMCC-SMDDNHRTSA-N 1 0 387.265 2.746 20 0 GFADRO COc1ccc([C@@H](C)[NH2+]CCN(C)S(=O)(=O)c2cccs2)c(OC)c1 ZINC000181500648 552258156 /nfs/dbraw/zinc/25/81/56/552258156.db2.gz PAMLYGSWRHTMSN-CYBMUJFWSA-N 1 0 384.523 2.737 20 0 GFADRO COCCc1nc(C)c([C@H](C)[NH2+][C@H]2CCCN(CC(F)(F)F)C2=O)s1 ZINC000181530132 552260074 /nfs/dbraw/zinc/26/00/74/552260074.db2.gz ODUPYRUZMQSZQY-JQWIXIFHSA-N 1 0 379.448 2.844 20 0 GFADRO O=S(=O)(NCC[NH2+]C1CCN(c2ccccc2)CC1)c1ccc(Cl)s1 ZINC000181619030 552262429 /nfs/dbraw/zinc/26/24/29/552262429.db2.gz AZLJRKKHQHIFHW-UHFFFAOYSA-N 1 0 399.969 2.938 20 0 GFADRO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)Nc1ccc(Cl)c(OC(F)F)c1 ZINC000181664646 552264791 /nfs/dbraw/zinc/26/47/91/552264791.db2.gz ILCNXUDTNLYAOU-SNVBAGLBSA-N 1 0 377.819 2.726 20 0 GFADRO COc1ccc([C@@H](C)[NH2+]C[C@H]2CCCN2S(C)(=O)=O)cc1Br ZINC000181690247 552265360 /nfs/dbraw/zinc/26/53/60/552265360.db2.gz URNSRIRDHQGNIM-DGCLKSJQSA-N 1 0 391.331 2.532 20 0 GFADRO C[C@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH2+]C[C@]1(O)CCOC1 ZINC000181729774 552266472 /nfs/dbraw/zinc/26/64/72/552266472.db2.gz FAGWTWALEGKXMK-MEBBXXQBSA-N 1 0 380.794 2.817 20 0 GFADRO CC(C)CN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc(C(F)(F)F)nc1 ZINC000181935757 552271109 /nfs/dbraw/zinc/27/11/09/552271109.db2.gz AMZAOBSPWKZQCL-UHFFFAOYSA-N 1 0 379.448 2.841 20 0 GFADRO CC[C@@H]([NH2+]C[C@H]1CCN(S(C)(=O)=O)C1)c1cc(F)cc(Br)c1 ZINC000182067474 552274638 /nfs/dbraw/zinc/27/46/38/552274638.db2.gz NMQUKRYBKSEZNA-IAQYHMDHSA-N 1 0 393.322 2.910 20 0 GFADRO CC(=O)Nc1ccc([C@H](C)[NH2+]CCN(C)S(=O)(=O)c2cccs2)cc1 ZINC000182159094 552277040 /nfs/dbraw/zinc/27/70/40/552277040.db2.gz ZMEXTRLDZWOPFT-ZDUSSCGKSA-N 1 0 381.523 2.678 20 0 GFADRO CC(=O)N1CC[N@H+](CCC(=O)Nc2ccc(Br)cc2)C(C)(C)C1 ZINC000182188307 552277681 /nfs/dbraw/zinc/27/76/81/552277681.db2.gz YPMJHZBHUPYZEY-UHFFFAOYSA-N 1 0 382.302 2.720 20 0 GFADRO CC[C@@H]([NH2+]CC(=O)Nc1cccc(I)c1)[C@@H]1CCCO1 ZINC000182298210 552280851 /nfs/dbraw/zinc/28/08/51/552280851.db2.gz FLOVFOQPQPAFRP-KGLIPLIRSA-N 1 0 388.249 2.777 20 0 GFADRO Cc1nc2n(n1)C[C@@H]([NH2+][C@H]1CCN(c3ccc(Cl)c(Cl)c3)C1=O)CC2 ZINC000182445236 552284186 /nfs/dbraw/zinc/28/41/86/552284186.db2.gz LJRBCVOGTDRLPJ-NHYWBVRUSA-N 1 0 380.279 2.603 20 0 GFADRO C[C@H](CS(C)(=O)=O)[NH2+]C[C@@H](c1ccccc1)N1CCc2sccc2C1 ZINC000182451567 552284511 /nfs/dbraw/zinc/28/45/11/552284511.db2.gz WYWLWZGHGXTCFG-QAPCUYQASA-N 1 0 378.563 2.870 20 0 GFADRO Cc1nc2n(n1)C[C@@H]([NH2+][C@@H]1CCN(c3ccc(Cl)c(Cl)c3)C1=O)CC2 ZINC000182445199 552284538 /nfs/dbraw/zinc/28/45/38/552284538.db2.gz LJRBCVOGTDRLPJ-XHDPSFHLSA-N 1 0 380.279 2.603 20 0 GFADRO COc1ccc(CC[NH2+][C@@H]2CCCC[C@@H]2S(C)(=O)=O)cc1OC(F)F ZINC000182741566 552292157 /nfs/dbraw/zinc/29/21/57/552292157.db2.gz PRAYMTCSSOLCLR-CJNGLKHVSA-N 1 0 377.453 2.785 20 0 GFADRO C[C@@H]([NH2+]CCC(=O)N(C)Cc1ccccc1Br)c1nccn1C ZINC000182939744 552296174 /nfs/dbraw/zinc/29/61/74/552296174.db2.gz YEZGWYDEEXCNQI-CYBMUJFWSA-N 1 0 379.302 2.882 20 0 GFADRO [NH3+][C@@H]1CCN(S(=O)(=O)c2ccc(-c3ccc(Br)cc3)cc2)C1 ZINC000183115218 552300935 /nfs/dbraw/zinc/30/09/35/552300935.db2.gz BCUVBCOAMCECHH-OAHLLOKOSA-N 1 0 381.295 2.838 20 0 GFADRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)NCCc2nc(C(F)(F)F)cs2)C1 ZINC000183151682 552301631 /nfs/dbraw/zinc/30/16/31/552301631.db2.gz UXFMPGJQDFRPMO-VXGBXAGGSA-N 1 0 376.448 2.830 20 0 GFADRO CC(C)[C@H]([NH3+])CCN(C)S(=O)(=O)c1cc(F)c(Br)cc1F ZINC000183193105 552302844 /nfs/dbraw/zinc/30/28/44/552302844.db2.gz UFIJVQNMJMCVER-GFCCVEGCSA-N 1 0 385.274 2.721 20 0 GFADRO COC(=O)c1cc(Cl)ccc1S(=O)(=O)NCC[C@H](C)[NH+]1CCCCC1 ZINC000183293470 552305261 /nfs/dbraw/zinc/30/52/61/552305261.db2.gz PBMRYXOGFUCLNE-ZDUSSCGKSA-N 1 0 388.917 2.669 20 0 GFADRO CC1(CNC(=O)c2ccc(S(=O)(=O)c3ccccc3)s2)CC[NH2+]CC1 ZINC000183337435 552306181 /nfs/dbraw/zinc/30/61/81/552306181.db2.gz CRLYBFQMTHXCOY-UHFFFAOYSA-N 1 0 378.519 2.700 20 0 GFADRO O=C(NCc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccc(Br)o1 ZINC000183438871 552309145 /nfs/dbraw/zinc/30/91/45/552309145.db2.gz UYXRDZBHXRMYIZ-AWEZNQCLSA-N 1 0 379.254 2.539 20 0 GFADRO COC(=O)[C@@H](c1cccc(Cl)c1Cl)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000183596655 552313833 /nfs/dbraw/zinc/31/38/33/552313833.db2.gz FBDVYRMSKSRAOP-CXAGYDPISA-N 1 0 387.307 2.862 20 0 GFADRO O=C(C[NH2+][C@H](CO)c1ccccc1)Nc1cccc(I)c1 ZINC000183662721 552316412 /nfs/dbraw/zinc/31/64/12/552316412.db2.gz OGOPLZIUJFNURK-OAHLLOKOSA-N 1 0 396.228 2.553 20 0 GFADRO CN(Cc1cc(Br)cs1)C(=O)C[NH2+][C@@H](CO)c1ccccc1 ZINC000183662131 552316506 /nfs/dbraw/zinc/31/65/06/552316506.db2.gz UTAJZSZIBGWVIN-HNNXBMFYSA-N 1 0 383.311 2.792 20 0 GFADRO Cc1ccccc1OC[C@@H](O)C[NH2+][C@H](CO)c1cccc(Br)c1 ZINC000183914215 552322948 /nfs/dbraw/zinc/32/29/48/552322948.db2.gz YGBAKLPHMGZRBE-DLBZAZTESA-N 1 0 380.282 2.820 20 0 GFADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000184310087 552332136 /nfs/dbraw/zinc/33/21/36/552332136.db2.gz BPFSUDFJASJJCN-KBPBESRZSA-N 1 0 388.339 2.903 20 0 GFADRO COc1cc(Br)ccc1CCC[NH2+][C@H]1CCCS(=O)(=O)C1 ZINC000184335083 552332664 /nfs/dbraw/zinc/33/26/64/552332664.db2.gz ZFISIIOLKBJPQC-AWEZNQCLSA-N 1 0 376.316 2.557 20 0 GFADRO CC[C@H]([NH2+]CCOc1ccc(S(=O)(=O)N(C)C)cc1)c1nc(C)cs1 ZINC000184348464 552333604 /nfs/dbraw/zinc/33/36/04/552333604.db2.gz QHEMTMCREHYBPM-INIZCTEOSA-N 1 0 383.539 2.822 20 0 GFADRO CC(C)n1cc(Br)cc1C(=O)N[C@@H](C)CC[NH+]1CCN(C)CC1 ZINC000184368071 552333936 /nfs/dbraw/zinc/33/39/36/552333936.db2.gz YFJSYCDEBYVDJE-AWEZNQCLSA-N 1 0 385.350 2.587 20 0 GFADRO Cc1cc(CCC(=O)N[C@H](C)CC[NH+]2CCN(C)CC2)ccc1Br ZINC000184411651 552335280 /nfs/dbraw/zinc/33/52/80/552335280.db2.gz LFXYRRQZCYEROH-MRXNPFEDSA-N 1 0 396.373 2.832 20 0 GFADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)Cc1csc(-c2cccs2)n1 ZINC000184407615 552335305 /nfs/dbraw/zinc/33/53/05/552335305.db2.gz KDHYIJJRTROURT-AWEZNQCLSA-N 1 0 378.567 2.556 20 0 GFADRO C[C@@H](Oc1ccc(Cl)c(Cl)c1)C(=O)N[C@@H](C)CC[NH+]1CCN(C)CC1 ZINC000184406435 552335386 /nfs/dbraw/zinc/33/53/86/552335386.db2.gz MJVGMZPZASLOBI-UONOGXRCSA-N 1 0 388.339 2.903 20 0 GFADRO O=C(Cc1csc(NC(=O)c2cccs2)n1)NCCC[NH+]1CCCC1 ZINC000184494850 552337148 /nfs/dbraw/zinc/33/71/48/552337148.db2.gz RZIRAQRNLLKVDT-UHFFFAOYSA-N 1 0 378.523 2.602 20 0 GFADRO Cc1nc(C(=O)N2C[C@H]3CC[C@H]([NH3+])[C@@H]3C2)nn1-c1c(Cl)cccc1Cl ZINC000184979321 552350420 /nfs/dbraw/zinc/35/04/20/552350420.db2.gz HIYDRIMXNDNCFA-GYSYKLTISA-N 1 0 380.279 2.692 20 0 GFADRO CCOc1c(Br)cc(C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc1OC ZINC000185072027 552352898 /nfs/dbraw/zinc/35/28/98/552352898.db2.gz FZYQNBOTOADYPJ-ZKYQVNSYSA-N 1 0 383.286 2.666 20 0 GFADRO COc1cc(Br)c(C[NH2+]CCCCCS(C)(=O)=O)cc1OC ZINC000185207994 552356780 /nfs/dbraw/zinc/35/67/80/552356780.db2.gz XSCQMRXPQWMGBW-UHFFFAOYSA-N 1 0 394.331 2.771 20 0 GFADRO CNS(=O)(=O)c1cccc([C@H](C)[NH2+]C[C@@](C)(O)c2cccc(Cl)c2)c1 ZINC000185314913 552361131 /nfs/dbraw/zinc/36/11/31/552361131.db2.gz BLWXHQCGZFKBEX-SCLBCKFNSA-N 1 0 382.913 2.806 20 0 GFADRO C[C@H](C[NH+]1CCCCCC1)NC(=O)CNC(=O)c1cccc(Br)c1 ZINC000185434962 552363176 /nfs/dbraw/zinc/36/31/76/552363176.db2.gz ZWSSANSUZMNHFE-CQSZACIVSA-N 1 0 396.329 2.560 20 0 GFADRO CN(C[C@H](O)C(F)(F)F)C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000185809991 552371698 /nfs/dbraw/zinc/37/16/98/552371698.db2.gz KUWPKYLEVDNMHK-JSGCOSHPSA-N 1 0 379.448 2.525 20 0 GFADRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)CNC(=O)c1ccc(Br)cc1 ZINC000185896384 552373205 /nfs/dbraw/zinc/37/32/05/552373205.db2.gz QNWASIQGPMFUAZ-MRXNPFEDSA-N 1 0 396.329 2.512 20 0 GFADRO CC[C@@H](Cc1ccccc1Br)[N@H+](C)CC(=O)NC[C@@H]1CCCO1 ZINC000185930638 552374440 /nfs/dbraw/zinc/37/44/40/552374440.db2.gz ZFSMMPLSGYEECU-HOTGVXAUSA-N 1 0 383.330 2.997 20 0 GFADRO O=C(c1cc(=O)[nH]c2c(Br)cccc12)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000186515678 552389746 /nfs/dbraw/zinc/38/97/46/552389746.db2.gz PTJKYZZXYDMHDQ-LLVKDONJSA-N 1 0 390.281 2.647 20 0 GFADRO C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000186523621 552390092 /nfs/dbraw/zinc/39/00/92/552390092.db2.gz OEOLOYSWRLGLKG-NEPJUHHUSA-N 1 0 384.307 2.855 20 0 GFADRO C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000186523608 552390393 /nfs/dbraw/zinc/39/03/93/552390393.db2.gz OEOLOYSWRLGLKG-RYUDHWBXSA-N 1 0 384.307 2.855 20 0 GFADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CCC[C@@H]1c1cccs1 ZINC000186604842 552391871 /nfs/dbraw/zinc/39/18/71/552391871.db2.gz MSVIYNSJMXQXQZ-OAHLLOKOSA-N 1 0 382.555 2.649 20 0 GFADRO CCOc1cc(Br)c(CC(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)cc1OCC ZINC000186670676 552394228 /nfs/dbraw/zinc/39/42/28/552394228.db2.gz FIXHJYBSBFSGGN-SWLSCSKDSA-N 1 0 399.329 2.903 20 0 GFADRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)c1ccc(I)cc1Cl ZINC000186700139 552395402 /nfs/dbraw/zinc/39/54/02/552395402.db2.gz UAGFTEDJUSHBAO-PRHODGIISA-N 1 0 378.641 2.672 20 0 GFADRO COc1nc(C)c(Br)cc1C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000186865443 552400240 /nfs/dbraw/zinc/40/02/40/552400240.db2.gz NMDNKSNVVZFBQK-WFASDCNBSA-N 1 0 382.302 2.717 20 0 GFADRO COC(=O)c1sccc1S(=O)(=O)NC(C)(C)CC[NH+]1CCCCCC1 ZINC000186906271 552401081 /nfs/dbraw/zinc/40/10/81/552401081.db2.gz UIXQEJCGXIUSES-UHFFFAOYSA-N 1 0 388.555 2.858 20 0 GFADRO CC(C)[C@H](C[NH2+][C@@H](C)c1ncc(Br)cc1F)N1CCN(C)CC1 ZINC000186981509 552403097 /nfs/dbraw/zinc/40/30/97/552403097.db2.gz ZHKWVVIRMPAVNM-BBRMVZONSA-N 1 0 387.341 2.906 20 0 GFADRO CC1(CO)CC[NH+](C[C@@H](O)COc2ccc(Cl)cc2Br)CC1 ZINC000186971511 552403200 /nfs/dbraw/zinc/40/32/00/552403200.db2.gz XJABCGJFIJLKOD-CYBMUJFWSA-N 1 0 392.721 2.937 20 0 GFADRO C[C@@H]([NH2+]CCc1ccc(F)c(Br)c1)C1CCS(=O)(=O)CC1 ZINC000187098919 552406472 /nfs/dbraw/zinc/40/64/72/552406472.db2.gz QYFJACMRQLHKHC-LLVKDONJSA-N 1 0 378.307 2.934 20 0 GFADRO CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]CCCOC[C@H]1CCCO1 ZINC000187104089 552406696 /nfs/dbraw/zinc/40/66/96/552406696.db2.gz FNAJZKKPGNSYHF-OAHLLOKOSA-N 1 0 375.918 2.809 20 0 GFADRO O[C@H](C[N@@H+]1CCC[C@H](Cn2ccnn2)C1)c1ccc(F)c(Br)c1 ZINC000187318797 552412081 /nfs/dbraw/zinc/41/20/81/552412081.db2.gz QZVIKMFZYNGUSU-BLLLJJGKSA-N 1 0 383.265 2.625 20 0 GFADRO C[C@H](C[C@@H]1COCCN1C(=O)OC(C)(C)C)[NH2+]CC[S@@](=O)C(C)(C)C ZINC000187400079 552414779 /nfs/dbraw/zinc/41/47/79/552414779.db2.gz BWPOSOSFTUOTER-KDCSIKNMSA-N 1 0 376.563 2.538 20 0 GFADRO Cc1ccc(Br)cc1CNC(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000187795600 552424119 /nfs/dbraw/zinc/42/41/19/552424119.db2.gz ATNVXYJTSCDTHP-UHFFFAOYSA-N 1 0 396.329 2.764 20 0 GFADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)NCc2ccc(Br)cc2OC)C1 ZINC000187849996 552426769 /nfs/dbraw/zinc/42/67/69/552426769.db2.gz CMEXIOWUGXGNIE-ZDUSSCGKSA-N 1 0 384.318 2.941 20 0 GFADRO COc1nc(C)c(Br)cc1C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000188134958 552436559 /nfs/dbraw/zinc/43/65/59/552436559.db2.gz RTCUZIIOFQTIJD-UHFFFAOYSA-N 1 0 382.302 2.862 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N2CCC([NH2+]C(C)C)CC2)cc1Br ZINC000188150037 552436919 /nfs/dbraw/zinc/43/69/19/552436919.db2.gz KZKUBOSICYHNKP-UHFFFAOYSA-N 1 0 396.329 2.993 20 0 GFADRO COC(=O)c1cc(Cl)ccc1S(=O)(=O)N[C@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000188231171 552439843 /nfs/dbraw/zinc/43/98/43/552439843.db2.gz QOIIGFZUFLRFCS-CHWSQXEVSA-N 1 0 388.917 2.525 20 0 GFADRO CCN(CCC[NH+]1CCCC1)S(=O)(=O)c1nc(C)c(Br)s1 ZINC000188264442 552440792 /nfs/dbraw/zinc/44/07/92/552440792.db2.gz CALGFHGSEGBDRG-UHFFFAOYSA-N 1 0 396.376 2.711 20 0 GFADRO Cc1cc(N2CC[C@H]([NH2+][C@@H](C)Cc3ccc(Br)cc3)C2=O)n(C)n1 ZINC000188298721 552441762 /nfs/dbraw/zinc/44/17/62/552441762.db2.gz DJECJVCXVXJBKS-LRDDRELGSA-N 1 0 391.313 2.817 20 0 GFADRO O=C(c1[nH]nc2c1C[NH2+]CC2)N1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000188658563 552451286 /nfs/dbraw/zinc/45/12/86/552451286.db2.gz GMVFTQNIDNMSLM-NSHDSACASA-N 1 0 381.263 2.656 20 0 GFADRO COc1sc(CN2CC[N@H+](CC(C)(C)O)C[C@@H]2C)cc1Br ZINC000188745350 552454021 /nfs/dbraw/zinc/45/40/21/552454021.db2.gz ZJKQWSAHJXLKBY-NSHDSACASA-N 1 0 377.348 2.796 20 0 GFADRO Cc1cccc(S(=O)(=O)N(C)CC2([NH+](C)C)CCC2)c1Br ZINC000189135447 552464037 /nfs/dbraw/zinc/46/40/37/552464037.db2.gz DEFQHQNNWXLORO-UHFFFAOYSA-N 1 0 375.332 2.862 20 0 GFADRO COc1cc(C[NH2+][C@@H]2C[C@H](O)C2(C)C)cc(I)c1OC ZINC000189354003 552469270 /nfs/dbraw/zinc/46/92/70/552469270.db2.gz FUSPDDLMZHYQMA-OLZOCXBDSA-N 1 0 391.249 2.557 20 0 GFADRO CCS[C@@H]1CCCC[C@@H]1[NH2+]Cc1nnc2n1c1ccsc1c(=O)n2C ZINC000189483721 552472652 /nfs/dbraw/zinc/47/26/52/552472652.db2.gz SRLOPDZHRQKENO-WCQYABFASA-N 1 0 377.539 2.797 20 0 GFADRO O=C(Nc1ccc(Br)cn1)[C@@H]1CCC[N@@H+](CCOCC(F)F)C1 ZINC000189608323 552475775 /nfs/dbraw/zinc/47/57/75/552475775.db2.gz ADZNVYYHNISOED-LLVKDONJSA-N 1 0 392.244 2.776 20 0 GFADRO CS(=O)(=O)c1cc(NC(=O)N2CCC[C@H]2C[NH+]2CCCC2)ccc1Cl ZINC000189885898 552482247 /nfs/dbraw/zinc/48/22/47/552482247.db2.gz SNOGZASTCNWWCE-AWEZNQCLSA-N 1 0 385.917 2.836 20 0 GFADRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)Nc2ccc(Cl)c(S(C)(=O)=O)c2)C1 ZINC000189889483 552482353 /nfs/dbraw/zinc/48/23/53/552482353.db2.gz BHAUHXCVEPLUTQ-ZDUSSCGKSA-N 1 0 387.933 2.843 20 0 GFADRO Cc1csc(NC(=O)C(=O)Nc2ccc(OCC[NH+](C)C)c(Cl)c2)n1 ZINC000189917485 552482806 /nfs/dbraw/zinc/48/28/06/552482806.db2.gz QIHIRLMDUXSUEA-UHFFFAOYSA-N 1 0 382.873 2.623 20 0 GFADRO C[C@@H]1CN(C[C@H](O)COc2cc(Cl)ccc2Cl)CC[N@@H+]1CC(C)(C)O ZINC000189948648 552483552 /nfs/dbraw/zinc/48/35/52/552483552.db2.gz QKIPTONVISLMST-HIFRSBDPSA-N 1 0 391.339 2.510 20 0 GFADRO CN(Cc1cc(Br)cs1)C(=O)C[N@H+](CC(C)(C)O)C1CC1 ZINC000189967981 552483868 /nfs/dbraw/zinc/48/38/68/552483868.db2.gz ZYYIIEUBBWUAPC-UHFFFAOYSA-N 1 0 375.332 2.704 20 0 GFADRO Cc1c(Br)cccc1NC(=O)C(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000190011495 552484862 /nfs/dbraw/zinc/48/48/62/552484862.db2.gz ZQGHYVVCWICSOY-AWEZNQCLSA-N 1 0 394.313 2.783 20 0 GFADRO CCCN(CCC[NH+](C)C)C(=O)C(=O)Nc1cc(Br)ccc1C ZINC000190160275 552489284 /nfs/dbraw/zinc/48/92/84/552489284.db2.gz NPEJIGOFEWBYOR-UHFFFAOYSA-N 1 0 384.318 2.886 20 0 GFADRO Cc1cc(NC(=O)C(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cc(C)c1Br ZINC000190617170 552503276 /nfs/dbraw/zinc/50/32/76/552503276.db2.gz YTSQKFRPXWPIBO-TZMCWYRMSA-N 1 0 394.313 2.746 20 0 GFADRO CCS(=O)(=O)N1CC(C[NH2+][C@H](C)c2ccc(F)cc2Br)C1 ZINC000190683608 552505942 /nfs/dbraw/zinc/50/59/42/552505942.db2.gz XIWQOXZBSYYHQL-SNVBAGLBSA-N 1 0 379.295 2.520 20 0 GFADRO Cc1cc(NC(=O)C(=O)N(C)CC[N@H+](C)C2CC2)cc(C)c1Br ZINC000190847105 552511271 /nfs/dbraw/zinc/51/12/71/552511271.db2.gz DAGKLRIZJNQHNA-UHFFFAOYSA-N 1 0 382.302 2.557 20 0 GFADRO C[C@H](NC(=O)Cc1ccc(I)cc1)C(C)(C)C[NH+](C)C ZINC000190949140 552514436 /nfs/dbraw/zinc/51/44/36/552514436.db2.gz HEFYMUKDXVYPJI-LBPRGKRZSA-N 1 0 388.293 2.926 20 0 GFADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cc1ccc(I)cc1 ZINC000190965014 552515250 /nfs/dbraw/zinc/51/52/50/552515250.db2.gz FMQXQLSGBZLYAN-CVEARBPZSA-N 1 0 398.288 2.919 20 0 GFADRO O=C1CNC(=O)N1CCC[N@@H+](Cc1cccc(Br)c1)CC1CC1 ZINC000191456726 552529374 /nfs/dbraw/zinc/52/93/74/552529374.db2.gz JIJDDKLFRHCRRM-UHFFFAOYSA-N 1 0 380.286 2.603 20 0 GFADRO O=C(NCCC[NH+]1CCCC1)C(=O)Nc1cccc(Cl)c1Br ZINC000191887538 552541639 /nfs/dbraw/zinc/54/16/39/552541639.db2.gz AWUJHPXJTMCFMU-UHFFFAOYSA-N 1 0 388.693 2.643 20 0 GFADRO C[C@@H]([NH3+])[C@H](C)C(=O)Nc1cc(Cl)c(NC(=O)c2cnccn2)c(Cl)c1 ZINC000192056255 552548401 /nfs/dbraw/zinc/54/84/01/552548401.db2.gz LFUYBOLERHMBLV-DTWKUNHWSA-N 1 0 382.251 2.958 20 0 GFADRO C[N@@H+]1CCC[C@@H]2CN([C@@H]3CCN(c4cccc(Br)c4)C3=O)CC[C@@H]21 ZINC000192074465 552549547 /nfs/dbraw/zinc/54/95/47/552549547.db2.gz AKTLOMXOKXDBOS-FHLIZLRMSA-N 1 0 392.341 2.971 20 0 GFADRO CC(C)[N@H+](C)Cc1cccc(CNC(=O)c2cc(Br)nn2C)c1 ZINC000192093098 552550080 /nfs/dbraw/zinc/55/00/80/552550080.db2.gz LXNRBXCWYJQKPU-UHFFFAOYSA-N 1 0 379.302 2.953 20 0 GFADRO COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000192157500 552554045 /nfs/dbraw/zinc/55/40/45/552554045.db2.gz FLZFKKCUOMCQSK-UHFFFAOYSA-N 1 0 388.295 2.883 20 0 GFADRO O=C(C[C@@H]1CSCCS1)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000192220598 552556885 /nfs/dbraw/zinc/55/68/85/552556885.db2.gz RZKYVENWKFMKMO-QZTJIDSGSA-N 1 0 380.579 2.632 20 0 GFADRO COc1ccc(Br)c(C(=O)NCCC[NH2+][C@@H]2CCOC[C@H]2C)c1 ZINC000192537951 552566172 /nfs/dbraw/zinc/56/61/72/552566172.db2.gz NISWYIVZSTXDII-MLGOLLRUSA-N 1 0 385.302 2.592 20 0 GFADRO Cc1c(Cl)cccc1NC(=O)C[NH2+][C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000192842607 552975873 /nfs/dbraw/zinc/97/58/73/552975873.db2.gz VKRLFPDXVOEYIF-GFCCVEGCSA-N 1 0 381.885 2.585 20 0 GFADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)c1ccc(OC(F)(F)Cl)cc1 ZINC000192845168 552976323 /nfs/dbraw/zinc/97/63/23/552976323.db2.gz FPHSBXGTPGWUAX-CYBMUJFWSA-N 1 0 375.847 2.610 20 0 GFADRO O[C@H](Cc1ccccc1)C[NH+]1CCN(c2ccc(Br)cn2)CC1 ZINC000192879160 552976878 /nfs/dbraw/zinc/97/68/78/552976878.db2.gz LJYDVAVNRKOFAI-QGZVFWFLSA-N 1 0 376.298 2.570 20 0 GFADRO COc1ccc(Br)cc1S(=O)(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000193096817 552983444 /nfs/dbraw/zinc/98/34/44/552983444.db2.gz IBFDEHCIBOZGSB-LBPRGKRZSA-N 1 0 391.331 2.610 20 0 GFADRO O=S(=O)(NCC1CC[NH2+]CC1)c1ccc2cc(Br)ccc2c1 ZINC000193235073 552987255 /nfs/dbraw/zinc/98/72/55/552987255.db2.gz WZURSDUMRBZTSS-UHFFFAOYSA-N 1 0 383.311 2.880 20 0 GFADRO O=S(=O)(NC[C@@H]1CCC[NH2+]1)c1ccc(Br)c(Cl)c1Cl ZINC000193257984 552987998 /nfs/dbraw/zinc/98/79/98/552987998.db2.gz SIMNKYJMYVMIIH-ZETCQYMHSA-N 1 0 388.114 2.786 20 0 GFADRO Cc1nc(NC(=O)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)ccc1Br ZINC000193273408 552988374 /nfs/dbraw/zinc/98/83/74/552988374.db2.gz KDHJZEBJJNPNEJ-CYBMUJFWSA-N 1 0 399.333 2.574 20 0 GFADRO COc1cc(Cl)c(S(=O)(=O)N[C@]2(C[NH3+])CCCC[C@H]2C)cc1OC ZINC000193319388 552990214 /nfs/dbraw/zinc/99/02/14/552990214.db2.gz JAVCSNACOLYSNU-BZNIZROVSA-N 1 0 376.906 2.543 20 0 GFADRO [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)CCc1ccc(Cl)cc1Cl ZINC000193704026 553000975 /nfs/dbraw/zinc/00/09/75/553000975.db2.gz NNSIWYWZGMTWBE-HNNXBMFYSA-N 1 0 386.323 2.772 20 0 GFADRO COC[C@H]([NH2+]CCNS(=O)(=O)c1ccc(C)cc1)c1ccc(Cl)cc1 ZINC000194006019 553009241 /nfs/dbraw/zinc/00/92/41/553009241.db2.gz QTLHQCMQBHTXRP-SFHVURJKSA-N 1 0 382.913 2.904 20 0 GFADRO CS(=O)(=O)N1CCC[C@@H]1C[NH2+]C1CC(c2ccc(Br)cc2)C1 ZINC000194124881 553012127 /nfs/dbraw/zinc/01/21/27/553012127.db2.gz DILGEKHWGJJEHL-AVVWSFFYSA-N 1 0 387.343 2.709 20 0 GFADRO O=C([C@H]1Cc2cc(Br)ccc2O1)N1CCC([NH+]2CCCC2)CC1 ZINC000194245534 553015571 /nfs/dbraw/zinc/01/55/71/553015571.db2.gz TUPJNRPLJVODLO-QGZVFWFLSA-N 1 0 379.298 2.839 20 0 GFADRO [NH3+]C[C@@H](NS(=O)(=O)c1cc(Br)c(F)cc1F)C1CCCC1 ZINC000194771758 553029200 /nfs/dbraw/zinc/02/92/00/553029200.db2.gz SMSSGJIATZCZPQ-GFCCVEGCSA-N 1 0 383.258 2.523 20 0 GFADRO C[C@H]([NH3+])CNC(=O)c1cnn(-c2ncc(Cl)cc2Cl)c1C(F)(F)F ZINC000194889757 553032856 /nfs/dbraw/zinc/03/28/56/553032856.db2.gz BDJPCNHSBXQNQW-LURJTMIESA-N 1 0 382.173 2.670 20 0 GFADRO COCC[NH+]1CCC(NC(=O)N[C@H](C)c2ccc(Br)cc2)CC1 ZINC000195137726 553038745 /nfs/dbraw/zinc/03/87/45/553038745.db2.gz BXSUHANJIZLTSW-CYBMUJFWSA-N 1 0 384.318 2.920 20 0 GFADRO O=C(CCNC(=O)C1CC[NH+](C2CC2)CC1)Nc1ccc(Br)cc1 ZINC000195370620 553046537 /nfs/dbraw/zinc/04/65/37/553046537.db2.gz COXOTHKGFMZFMT-UHFFFAOYSA-N 1 0 394.313 2.768 20 0 GFADRO CC(C)(C)[NH+]1CCC(NC(=O)c2ccc(Cl)c(NS(C)(=O)=O)c2)CC1 ZINC000195390082 553046808 /nfs/dbraw/zinc/04/68/08/553046808.db2.gz CNXUNERGRUKCEX-UHFFFAOYSA-N 1 0 387.933 2.704 20 0 GFADRO COc1ccc(Br)c(NC(=O)NC2CCN(CC[NH+](C)C)CC2)c1 ZINC000195460193 553049275 /nfs/dbraw/zinc/04/92/75/553049275.db2.gz LBKWGYIRGMRNAJ-UHFFFAOYSA-N 1 0 399.333 2.605 20 0 GFADRO [NH3+]C1CCN(C(=O)NCc2ccc(I)cc2Cl)CC1 ZINC000199938043 553052284 /nfs/dbraw/zinc/05/22/84/553052284.db2.gz NKEWHNXXSSQZRS-UHFFFAOYSA-N 1 0 393.656 2.577 20 0 GFADRO C[C@@H]1CN(C)CCN1C(=O)c1ccc(Br)cc1Br ZINC000218794771 553054381 /nfs/dbraw/zinc/05/43/81/553054381.db2.gz VSJCPCITNROZQU-SECBINFHSA-N 1 0 376.092 2.988 20 0 GFADRO C[C@@H]([NH2+]CCN1CCSCC1)c1ccc(I)cc1 ZINC000223477796 553056228 /nfs/dbraw/zinc/05/62/28/553056228.db2.gz XXDRWCZBYTXTHW-GFCCVEGCSA-N 1 0 376.307 2.991 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCN(C(=O)c2cc(Cl)ccc2I)C1 ZINC000226544035 553061704 /nfs/dbraw/zinc/06/17/04/553061704.db2.gz NNSYVSXVUOZBHO-IUCAKERBSA-N 1 0 378.641 2.754 20 0 GFADRO C[N@H+](CCNC(=O)c1ccc(I)c(Cl)c1)C1CC1 ZINC000226780192 553062169 /nfs/dbraw/zinc/06/21/69/553062169.db2.gz JEJZLRUVTANBIX-UHFFFAOYSA-N 1 0 378.641 2.769 20 0 GFADRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3ccc(I)cc3)CC[C@H]21 ZINC000227336877 553062603 /nfs/dbraw/zinc/06/26/03/553062603.db2.gz XIKPMHSXMZDPDG-DZGCQCFKSA-N 1 0 384.261 2.848 20 0 GFADRO COCC1(C(=O)Nc2ccc(I)cc2C)CC[NH2+]CC1 ZINC000234690222 553068049 /nfs/dbraw/zinc/06/80/49/553068049.db2.gz AOOYQNBAADHWSU-UHFFFAOYSA-N 1 0 388.249 2.554 20 0 GFADRO C[C@H](CNS(=O)(=O)c1ccc(Cl)c(Br)c1)[N@H+](C)C1CC1 ZINC000235483670 553068433 /nfs/dbraw/zinc/06/84/33/553068433.db2.gz HPLLBUHNILACKW-SECBINFHSA-N 1 0 381.723 2.864 20 0 GFADRO CC(C)([NH3+])CNC(=O)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000236595581 553069566 /nfs/dbraw/zinc/06/95/66/553069566.db2.gz UOFSVFOIAAULLU-UHFFFAOYSA-N 1 0 378.826 2.824 20 0 GFADRO O=C(COc1cccc(Br)c1)NCCC[NH2+]Cc1cccnc1 ZINC000236634789 553069917 /nfs/dbraw/zinc/06/99/17/553069917.db2.gz ZHNSPWWWTACKML-UHFFFAOYSA-N 1 0 378.270 2.519 20 0 GFADRO O=C(NC1CCN(Cc2ccc(Br)cc2)CC1)C1CC[NH2+]CC1 ZINC000236686106 553070524 /nfs/dbraw/zinc/07/05/24/553070524.db2.gz FTGPJQKPVOSDMM-UHFFFAOYSA-N 1 0 380.330 2.529 20 0 GFADRO O=C(NCCOc1ccc(Br)cc1)[C@@H]1[NH2+]CCc2ccccc21 ZINC000236730763 553071187 /nfs/dbraw/zinc/07/11/87/553071187.db2.gz MQQZTXHJFVFPMF-QGZVFWFLSA-N 1 0 375.266 2.831 20 0 GFADRO CCOc1cc(Br)c(CC(=O)N2CCC[NH2+]CC2)cc1OCC ZINC000236878530 553072394 /nfs/dbraw/zinc/07/23/94/553072394.db2.gz APHBKYMDQVXXDE-UHFFFAOYSA-N 1 0 385.302 2.611 20 0 GFADRO CCc1nc(C(=O)N2CCC[C@@H]2C[NH2+]C)nn1-c1c(Cl)cccc1Cl ZINC000237023438 553073838 /nfs/dbraw/zinc/07/38/38/553073838.db2.gz YXTKNOUUWKYHNX-LLVKDONJSA-N 1 0 382.295 2.961 20 0 GFADRO C[NH2+]CC1CCN(C(=O)/C=C/c2cc(Br)c3c(c2)OCCO3)CC1 ZINC000237066540 553074088 /nfs/dbraw/zinc/07/40/88/553074088.db2.gz WSEJLJLAUNMEMY-NSCUHMNNSA-N 1 0 395.297 2.692 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000237093547 553074107 /nfs/dbraw/zinc/07/41/07/553074107.db2.gz YQTUIFQKIWVKMA-TZMCWYRMSA-N 1 0 382.302 2.672 20 0 GFADRO COC(=O)C[C@@H](NC(=O)CC1CC[NH2+]CC1)c1cccc(Br)c1 ZINC000237203851 553075983 /nfs/dbraw/zinc/07/59/83/553075983.db2.gz NKWFTYRMMXMPJL-OAHLLOKOSA-N 1 0 383.286 2.559 20 0 GFADRO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]Cc1nnc2ccccn21 ZINC000237426274 553077628 /nfs/dbraw/zinc/07/76/28/553077628.db2.gz LEKNIPYJKRIKCG-GFCCVEGCSA-N 1 0 388.269 2.999 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)c1cc(F)c(F)cc1I ZINC000237438671 553077686 /nfs/dbraw/zinc/07/76/86/553077686.db2.gz BOQZUUWEAKXIFE-SDBXPKJASA-N 1 0 394.203 2.911 20 0 GFADRO Cc1c(C(=O)N[C@@H](C)c2ccc(Br)cc2)nnn1C1CC[NH2+]CC1 ZINC000237502007 553078074 /nfs/dbraw/zinc/07/80/74/553078074.db2.gz IKEHEWCXSFSOCN-NSHDSACASA-N 1 0 392.301 2.765 20 0 GFADRO Cc1cc(C(=O)N2CCC[C@@H](C[NH3+])C2)nn1-c1ccc(Br)cc1 ZINC000237690323 553080588 /nfs/dbraw/zinc/08/05/88/553080588.db2.gz XAQLAVGXLOXNLF-ZDUSSCGKSA-N 1 0 377.286 2.754 20 0 GFADRO Cc1c(C(=O)N2CCCC[C@H]2C[NH3+])cnn1-c1ccc(Br)cc1 ZINC000237742264 553080973 /nfs/dbraw/zinc/08/09/73/553080973.db2.gz LOOWGWIQUJLHLG-HNNXBMFYSA-N 1 0 377.286 2.897 20 0 GFADRO Cc1ccc(-c2ccc(C[NH2+]CCS(=O)(=O)N3CCSCC3)o2)cc1 ZINC000237720220 553081154 /nfs/dbraw/zinc/08/11/54/553081154.db2.gz BHKVIEAICXNCIF-UHFFFAOYSA-N 1 0 380.535 2.723 20 0 GFADRO C[C@]1(C(=O)NCCc2ccc(I)s2)CCCC[NH2+]1 ZINC000237761285 553081885 /nfs/dbraw/zinc/08/18/85/553081885.db2.gz PXIDTSUZWNBRNU-CYBMUJFWSA-N 1 0 378.279 2.544 20 0 GFADRO O=C(NC[C@H]1CCCC[NH2+]1)[C@@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 ZINC000237833650 553082733 /nfs/dbraw/zinc/08/27/33/553082733.db2.gz AACQSHMWEITVMO-CVEARBPZSA-N 1 0 384.307 2.856 20 0 GFADRO O=C(N[C@@H]1CCC[NH2+]C1)[C@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000237862686 553083261 /nfs/dbraw/zinc/08/32/61/553083261.db2.gz GZTRSSVVDQBRKX-UONOGXRCSA-N 1 0 384.307 2.714 20 0 GFADRO O=C(c1cccnc1Oc1ccc(F)cc1Br)N1CC[NH2+]CC1 ZINC000237875563 553083636 /nfs/dbraw/zinc/08/36/36/553083636.db2.gz MNEOEZXAVDQWBP-UHFFFAOYSA-N 1 0 380.217 2.821 20 0 GFADRO [NH3+]C[C@H](NC(=O)c1nn(-c2cccc(Br)c2)c2c1CCC2)C1CC1 ZINC000237932441 553084083 /nfs/dbraw/zinc/08/40/83/553084083.db2.gz VOWWTAHCPRQGSY-HNNXBMFYSA-N 1 0 389.297 2.591 20 0 GFADRO O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)NC[C@@H](O)COc1cccc(Cl)c1Cl ZINC000238113377 553086180 /nfs/dbraw/zinc/08/61/80/553086180.db2.gz GPLVLBOHHIMVPP-WTUNAVPPSA-N 1 0 387.307 2.770 20 0 GFADRO O=C(Nc1nc(C2CC2)c(Cc2ccccc2Cl)s1)[C@H]1C[C@H](O)C[NH2+]1 ZINC000238101938 553086388 /nfs/dbraw/zinc/08/63/88/553086388.db2.gz AQAYRHHINIHXEO-GXTWGEPZSA-N 1 0 377.897 2.926 20 0 GFADRO C[C@H]1CN(C[C@@H](O)COCc2ccccc2Cl)CCN1CC(F)(F)F ZINC000245746856 553096212 /nfs/dbraw/zinc/09/62/12/553096212.db2.gz WYBDGKHWQYQFDX-DZGCQCFKSA-N 1 0 380.838 2.786 20 0 GFADRO NC(=O)[C@H](c1cccc(Br)c1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000245801132 553097614 /nfs/dbraw/zinc/09/76/14/553097614.db2.gz PIEFEKCTAJUFGP-QGTPRVQTSA-N 1 0 392.341 2.924 20 0 GFADRO O[C@H](C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2)COc1ccccc1Br ZINC000245834553 553097811 /nfs/dbraw/zinc/09/78/11/553097811.db2.gz CENJCCMACWOBBZ-KFZJALRRSA-N 1 0 382.298 2.736 20 0 GFADRO COCCO[C@H]1CCC[N@H+](C[C@@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000245932588 553099561 /nfs/dbraw/zinc/09/95/61/553099561.db2.gz VCMGKELCRPXQIQ-CABCVRRESA-N 1 0 378.296 2.861 20 0 GFADRO CC1(C)[C@H]([NH2+]CCNC(=O)c2ccc(Br)cc2)[C@@H]2CCCO[C@H]21 ZINC000245934657 553099629 /nfs/dbraw/zinc/09/96/29/553099629.db2.gz TTZDVPPXUPCWOX-ARFHVFGLSA-N 1 0 381.314 2.972 20 0 GFADRO CCN(C)S(=O)(=O)N[C@H]1CCN(C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000246001682 553101155 /nfs/dbraw/zinc/10/11/55/553101155.db2.gz ZSCKQPORQQETHJ-HOTGVXAUSA-N 1 0 377.913 2.789 20 0 GFADRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)S(=O)(=O)c1ccc(Br)c(F)c1 ZINC000246091908 553102046 /nfs/dbraw/zinc/10/20/46/553102046.db2.gz GRRSWBAMUMKAGY-IINYFYTJSA-N 1 0 379.295 2.549 20 0 GFADRO C[N@H+](C[C@@H](O)COc1ccc(Cl)cc1Br)C[C@H]1CCCO1 ZINC000246165515 553104005 /nfs/dbraw/zinc/10/40/05/553104005.db2.gz WMZAHIUNASFCKM-CHWSQXEVSA-N 1 0 378.694 2.953 20 0 GFADRO CCN(C[C@H]1CC[N@@H+]([C@H](C)C(=O)NCc2cccs2)C1)CC(F)(F)F ZINC000246208477 553104631 /nfs/dbraw/zinc/10/46/31/553104631.db2.gz NQHLRQPILVXFKR-ZIAGYGMSSA-N 1 0 377.476 2.959 20 0 GFADRO C[C@H](CC(=O)NC[C@H](O)COc1cccc(Cl)c1Cl)[C@H]1CCC[NH2+]C1 ZINC000246279092 553106000 /nfs/dbraw/zinc/10/60/00/553106000.db2.gz MJYSSEVWKXRVKR-RDBSUJKOSA-N 1 0 389.323 2.875 20 0 GFADRO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)Nc2cccc(S(=O)(=O)C(F)F)c2)C1 ZINC000246368081 553106942 /nfs/dbraw/zinc/10/69/42/553106942.db2.gz IVJJCTRCWUHPLF-SMDDNHRTSA-N 1 0 375.441 2.533 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)Nc2cccc(Br)c2)CC1=O ZINC000246416711 553107750 /nfs/dbraw/zinc/10/77/50/553107750.db2.gz LSLLKWSIIRTILN-BBRMVZONSA-N 1 0 394.313 2.720 20 0 GFADRO O=C(CN1CCC[C@H](c2nc(C(F)(F)F)cs2)C1)NC[C@H]1CCCO1 ZINC000246538125 553109568 /nfs/dbraw/zinc/10/95/68/553109568.db2.gz JRGYDUONBRPLQN-NWDGAFQWSA-N 1 0 377.432 2.637 20 0 GFADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)[C@H](C)Oc2ccccc2Br)C1 ZINC000246566379 553110026 /nfs/dbraw/zinc/11/00/26/553110026.db2.gz LFFSXHVTZDFSDI-GJZGRUSLSA-N 1 0 399.329 2.689 20 0 GFADRO COC(=O)[C@@]1(C)CC[N@H+](CC(=O)N[C@@H](C)c2ccc(Br)cc2)C1 ZINC000246645027 553111292 /nfs/dbraw/zinc/11/12/92/553111292.db2.gz XALPWPBKDCCGFT-SJCJKPOMSA-N 1 0 383.286 2.511 20 0 GFADRO CSC[C@H](CCO)NC(=O)N[C@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000247097555 553119080 /nfs/dbraw/zinc/11/90/80/553119080.db2.gz WHFWNAJXZNFQIH-VBNZEHGJSA-N 1 0 389.924 2.638 20 0 GFADRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)S(=O)(=O)Cc1ccc(Br)cc1 ZINC000247241015 553120188 /nfs/dbraw/zinc/12/01/88/553120188.db2.gz YYUKMYGXXGSPKL-IUODEOHRSA-N 1 0 375.332 2.551 20 0 GFADRO C[N@@H+]1CCC[C@@H]2CN(CC(=O)Nc3ccc(Br)cc3F)CC[C@H]21 ZINC000247314236 553121556 /nfs/dbraw/zinc/12/15/56/553121556.db2.gz VRCJYTAEZAAGRB-MLGOLLRUSA-N 1 0 384.293 2.943 20 0 GFADRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1ccc(I)c(F)c1 ZINC000247474252 553122655 /nfs/dbraw/zinc/12/26/55/553122655.db2.gz SDANFLCBPOXKHC-QMTHXVAHSA-N 1 0 390.240 2.843 20 0 GFADRO C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000247550093 553123973 /nfs/dbraw/zinc/12/39/73/553123973.db2.gz ZEOALPSUQQFMRK-AVGNSLFASA-N 1 0 384.307 2.807 20 0 GFADRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2S(=O)(=O)c2cccc(OC(F)(F)F)c2)C1 ZINC000247646887 553124614 /nfs/dbraw/zinc/12/46/14/553124614.db2.gz VRRLWRQBEJTZPX-WFASDCNBSA-N 1 0 378.416 2.690 20 0 GFADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)CNC(=O)c3ccc(Cl)c(Cl)c3)CC[C@H]21 ZINC000248169016 553127752 /nfs/dbraw/zinc/12/77/52/553127752.db2.gz UJCFLKBLVBRDKJ-CZUORRHYSA-N 1 0 384.307 2.666 20 0 GFADRO C[C@H](O)C[N@@H+]1CCN(C(=O)Nc2ccc(Cl)c(OC(F)F)c2)C[C@@H]1C ZINC000248412177 553129401 /nfs/dbraw/zinc/12/94/01/553129401.db2.gz JCGWHHAPGMHUGS-QWRGUYRKSA-N 1 0 377.819 2.860 20 0 GFADRO C[C@H](O)[C@@H]1CC[N@H+](C[C@@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000248534995 553130720 /nfs/dbraw/zinc/13/07/20/553130720.db2.gz GJONQJGIXKNRAO-DMDPSCGWSA-N 1 0 378.694 2.545 20 0 GFADRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)c3ccc(I)c(Cl)c3)C[C@H]12 ZINC000248599526 553131826 /nfs/dbraw/zinc/13/18/26/553131826.db2.gz IUNBLQQAHKJOCR-OUJBWJOFSA-N 1 0 390.652 2.754 20 0 GFADRO Cc1ccc(-n2nc(Br)cc2C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc1 ZINC000248701602 553133277 /nfs/dbraw/zinc/13/32/77/553133277.db2.gz ZSBHAVUKRZKBKS-QEJZJMRPSA-N 1 0 389.297 2.753 20 0 GFADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@H]3Cc4cc(Br)ccc4O3)CC[C@@H]21 ZINC000248715733 553133585 /nfs/dbraw/zinc/13/35/85/553133585.db2.gz DWCKIMKQXLVCOA-ISTRZQFTSA-N 1 0 379.298 2.695 20 0 GFADRO Cc1cccc(NC(=O)C(=O)NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)c1Br ZINC000249066301 553138513 /nfs/dbraw/zinc/13/85/13/553138513.db2.gz ZMMMPAPOQQPYQL-TZMCWYRMSA-N 1 0 396.329 2.933 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1Br ZINC000249112681 553139751 /nfs/dbraw/zinc/13/97/51/553139751.db2.gz AVRONSPSVHPBGL-KBPBESRZSA-N 1 0 396.329 2.946 20 0 GFADRO C[C@H](O)CN1CCN(C(=O)c2ccc(Br)c(Cl)c2)[C@H](C)C1 ZINC000249161392 553140195 /nfs/dbraw/zinc/14/01/95/553140195.db2.gz YYODDDNGFIMXDO-MNOVXSKESA-N 1 0 375.694 2.630 20 0 GFADRO Cc1cc(Br)c(F)cc1NC(=O)C(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000249213443 553141068 /nfs/dbraw/zinc/14/10/68/553141068.db2.gz SSAQGWBGEBUHGI-NEPJUHHUSA-N 1 0 398.276 2.530 20 0 GFADRO CSc1ccc(Cl)cc1NC(=O)C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000249218294 553141074 /nfs/dbraw/zinc/14/10/74/553141074.db2.gz UAOKMYHZQCZGQS-SWLSCSKDSA-N 1 0 381.929 2.943 20 0 GFADRO COc1cc(Br)ccc1[C@H](C)[NH2+][C@H](C)C(=O)NC[C@H]1CCCO1 ZINC000249285529 553141365 /nfs/dbraw/zinc/14/13/65/553141365.db2.gz LNQKJRNVSLIURC-OUCADQQQSA-N 1 0 385.302 2.792 20 0 GFADRO C[C@@H]1CN(C[C@@H](O)COc2cc(Cl)ccc2Cl)CC[N@@H+]1CC(C)(C)O ZINC000249389149 553142468 /nfs/dbraw/zinc/14/24/68/553142468.db2.gz QKIPTONVISLMST-UKRRQHHQSA-N 1 0 391.339 2.510 20 0 GFADRO [NH3+][C@@H]1CC[C@@H]2CN(S(=O)(=O)c3cc(Cl)ccc3OCCC3CC3)C[C@@H]12 ZINC000249428493 553142984 /nfs/dbraw/zinc/14/29/84/553142984.db2.gz DSPOKILGKFUCLX-FVQBIDKESA-N 1 0 384.929 2.877 20 0 GFADRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2S(=O)(=O)c2ccc(CC(F)(F)F)cc2)C1 ZINC000249518287 553144460 /nfs/dbraw/zinc/14/44/60/553144460.db2.gz KPOQGZONVKOFPI-GOEBONIOSA-N 1 0 376.444 2.896 20 0 GFADRO [NH3+][C@@H]1CC[C@H]2CN(S(=O)(=O)c3cc(Cl)c(Br)cc3F)C[C@@H]12 ZINC000249631105 553145100 /nfs/dbraw/zinc/14/51/00/553145100.db2.gz VGIWHENNEADLIZ-JOAULVNJSA-N 1 0 397.697 2.599 20 0 GFADRO Cc1sc2nc(CS[C@@H](C)C(=O)NCCC[NH+](C)C)[nH]c(=O)c2c1C ZINC000253604693 553151403 /nfs/dbraw/zinc/15/14/03/553151403.db2.gz TXYHRMZRETXSFH-LBPRGKRZSA-N 1 0 382.555 2.703 20 0 GFADRO C[C@]([NH3+])(C(=O)NCCC(=O)NC1CCCCC1)c1ccc(Br)cc1 ZINC000261702180 553156426 /nfs/dbraw/zinc/15/64/26/553156426.db2.gz IMCANOLZLSUMEF-GOSISDBHSA-N 1 0 396.329 2.578 20 0 GFADRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)[C@@H](c1ccc(Cl)cc1Cl)N1CCOCC1 ZINC000261704725 553156686 /nfs/dbraw/zinc/15/66/86/553156686.db2.gz JMLUHRQGDJJURC-IIYDPXPESA-N 1 0 386.323 2.562 20 0 GFADRO CSc1ccc(Cl)c(C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)c1 ZINC000261687206 553156869 /nfs/dbraw/zinc/15/68/69/553156869.db2.gz AVHBTZARYDCEIF-CYBMUJFWSA-N 1 0 381.851 2.628 20 0 GFADRO O=C(CN1CC[NH2+]C[C@@H]1c1cccc(Cl)c1)Nc1nc2c(s1)CCC2 ZINC000261770345 553158466 /nfs/dbraw/zinc/15/84/66/553158466.db2.gz MIEFIPDDPUUHOF-OAHLLOKOSA-N 1 0 376.913 2.870 20 0 GFADRO CCO[C@@H]1C[C@]([NH3+])(C(=O)N(C)CCOc2ccc(Br)cc2)C1(C)C ZINC000261772552 553158699 /nfs/dbraw/zinc/15/86/99/553158699.db2.gz XCQFNZYWLIBWNZ-QAPCUYQASA-N 1 0 399.329 2.819 20 0 GFADRO [NH3+]C[C@H]1CCC[C@H]1C(=O)NCC1(c2cccc(Br)c2)CCOCC1 ZINC000261781432 553159344 /nfs/dbraw/zinc/15/93/44/553159344.db2.gz PHCFGXPXRSZICL-RHSMWYFYSA-N 1 0 395.341 2.989 20 0 GFADRO CC1(C)[C@@H]2OCCC[C@H]2[C@]1([NH3+])C(=O)NCCc1ccc(Br)cc1 ZINC000261851396 553160938 /nfs/dbraw/zinc/16/09/38/553160938.db2.gz JKPWADQBFKRDEN-RKVPGOIHSA-N 1 0 381.314 2.640 20 0 GFADRO COC(=O)C[C@H](NC(=O)CC[C@H]1CC[NH2+]C1)c1cccc(Br)c1 ZINC000261861450 553160984 /nfs/dbraw/zinc/16/09/84/553160984.db2.gz OUBQPXIULSVIHE-WFASDCNBSA-N 1 0 383.286 2.559 20 0 GFADRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)CCc1nc(-c2cc(Br)cs2)no1 ZINC000261863868 553161298 /nfs/dbraw/zinc/16/12/98/553161298.db2.gz RMEDGNSCWYSSQE-UWVGGRQHSA-N 1 0 399.314 2.689 20 0 GFADRO CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000261865716 553161861 /nfs/dbraw/zinc/16/18/61/553161861.db2.gz SOQWTLKCGOSLMS-DOMZBBRYSA-N 1 0 388.295 2.677 20 0 GFADRO COc1ccc(NC(=O)[C@]2([NH3+])[C@@H]3CCCO[C@H]3C2(C)C)cc1Br ZINC000261931218 553162684 /nfs/dbraw/zinc/16/26/84/553162684.db2.gz SVBDQWYIJPISAS-JDSLSITLSA-N 1 0 383.286 2.929 20 0 GFADRO O=C(NC1(c2ccc(Br)cc2)CCOCC1)[C@@H]1CC12CC[NH2+]CC2 ZINC000261936400 553162691 /nfs/dbraw/zinc/16/26/91/553162691.db2.gz MCXRQHXUWJICCW-INIZCTEOSA-N 1 0 393.325 2.961 20 0 GFADRO Cc1cc(S(=O)(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)ccc1Br ZINC000261941175 553162873 /nfs/dbraw/zinc/16/28/73/553162873.db2.gz LIFXIOWGNMXOIG-INIZCTEOSA-N 1 0 387.343 2.910 20 0 GFADRO C[C@@]([NH3+])(C(=O)NC[C@H]1COc2ccccc2O1)c1ccc(Br)cc1 ZINC000261978511 553163974 /nfs/dbraw/zinc/16/39/74/553163974.db2.gz OGJPZESQDMPCEH-KSSFIOAISA-N 1 0 391.265 2.579 20 0 GFADRO Brc1cc(CN2CC[NH2+]C[C@@H]2c2ccncc2)cc2c1OCCO2 ZINC000262071244 553165306 /nfs/dbraw/zinc/16/53/06/553165306.db2.gz SCTWGDVFWNMXKS-MRXNPFEDSA-N 1 0 390.281 2.762 20 0 GFADRO O=C(CCc1ccc(Cl)cc1Cl)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000262143512 553166377 /nfs/dbraw/zinc/16/63/77/553166377.db2.gz XFXPCSLLYFFBMW-CQSZACIVSA-N 1 0 398.256 2.878 20 0 GFADRO COc1ccc([C@@H](NC(=O)C2C[NH2+]C2)c2ccccc2)cc1Br ZINC000262247912 553168154 /nfs/dbraw/zinc/16/81/54/553168154.db2.gz PCMUFUAJYJBUTN-KRWDZBQOSA-N 1 0 375.266 2.883 20 0 GFADRO CCC[C@@](C)([NH3+])C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(CC)CC)c1 ZINC000262609477 553173003 /nfs/dbraw/zinc/17/30/03/553173003.db2.gz CKOAMWNEJPAHLB-MRXNPFEDSA-N 1 0 375.922 2.827 20 0 GFADRO [NH3+]C[C@H]1CCCN1C(=O)c1ccc(NC(=O)c2ccc(Br)o2)cc1 ZINC000262656125 553173358 /nfs/dbraw/zinc/17/33/58/553173358.db2.gz WZVVNWHUEBPDOA-CYBMUJFWSA-N 1 0 392.253 2.858 20 0 GFADRO O=C(N[C@@H]1CCc2c1cccc2Br)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000262703505 553173874 /nfs/dbraw/zinc/17/38/74/553173874.db2.gz CSBLZGCNJAOXJQ-BLLLJJGKSA-N 1 0 389.297 2.987 20 0 GFADRO C[C@H]([NH3+])C1CCN(S(=O)(=O)c2cccc(Cl)c2Br)CC1 ZINC000262771434 553175602 /nfs/dbraw/zinc/17/56/02/553175602.db2.gz MHJXNJZNJYGTNB-VIFPVBQESA-N 1 0 381.723 2.850 20 0 GFADRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)[C@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl ZINC000262745355 553175113 /nfs/dbraw/zinc/17/51/13/553175113.db2.gz JKFNVSBVAMIYJP-HFBAOOFYSA-N 1 0 384.307 2.712 20 0 GFADRO Cc1c(C(=O)N2CC[NH2+][C@@H](C)[C@H]2C)cnn1-c1cccc(Br)c1 ZINC000262804204 553176266 /nfs/dbraw/zinc/17/62/66/553176266.db2.gz PQBPBDBOXGUMJD-NWDGAFQWSA-N 1 0 377.286 2.766 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)CCC[S@](=O)c2ccc(Br)cc2)CC[NH2+]1 ZINC000262859896 553177475 /nfs/dbraw/zinc/17/74/75/553177475.db2.gz LCUKTAGPWHAHKS-OQQHHNTDSA-N 1 0 387.343 2.594 20 0 GFADRO COc1cc(CNC(=O)[C@@H]2CCCC[C@]2(C)[NH3+])cc(Br)c1OC ZINC000263316128 553185833 /nfs/dbraw/zinc/18/58/33/553185833.db2.gz ZLNQKPDKFKFSCP-SJCJKPOMSA-N 1 0 385.302 2.990 20 0 GFADRO CC[NH+](CC)CCCNC(=O)C(=O)Nc1cc(Cl)c(OC)c(Cl)c1 ZINC000263711434 553191783 /nfs/dbraw/zinc/19/17/83/553191783.db2.gz QVCUGQAWHXQBSC-UHFFFAOYSA-N 1 0 376.284 2.789 20 0 GFADRO C[C@@H](CNC(=O)C1(c2ccc(Br)cc2)CCC1)N1CC[NH+](C)CC1 ZINC000263805880 553194182 /nfs/dbraw/zinc/19/41/82/553194182.db2.gz UZTBSJCQCIKWMJ-HNNXBMFYSA-N 1 0 394.357 2.623 20 0 GFADRO Cc1ccc(S(=O)(=O)NCC[C@@H]2CCC[N@@H+](C)C2)c(Br)c1 ZINC000416557576 563848634 /nfs/dbraw/zinc/84/86/34/563848634.db2.gz HEFCHBNKXXTPQW-ZDUSSCGKSA-N 1 0 375.332 2.768 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)c3cc(F)ccc3I)C[C@@H]21 ZINC000368482425 563872162 /nfs/dbraw/zinc/87/21/62/563872162.db2.gz MODWDXAIBICPPX-LJWDBELGSA-N 1 0 388.224 2.630 20 0 GFADRO CCS(=O)(=O)N(C)CCC[NH2+][C@H]1CCc2c1ccc(F)c2Br ZINC000449077520 563906292 /nfs/dbraw/zinc/90/62/92/563906292.db2.gz JWQUUSKTWUXULA-AWEZNQCLSA-N 1 0 393.322 2.837 20 0 GFADRO CCS(=O)(=O)C[C@H](C)[NH2+][C@H](C)[C@H](OC)c1ccc(Br)cc1 ZINC000538197146 564184752 /nfs/dbraw/zinc/18/47/52/564184752.db2.gz CTHVHGVXOQELER-ZOWXZIJZSA-N 1 0 378.332 2.938 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)C(=O)N(CC)CCC[NH+](C)C ZINC000471229752 564189794 /nfs/dbraw/zinc/18/97/94/564189794.db2.gz FIMMUHNHVUSUQJ-UHFFFAOYSA-N 1 0 384.318 2.750 20 0 GFADRO CC[C@@H]([NH2+]Cc1cc(Br)c(OC(F)F)c(OC)c1)C(=O)NC ZINC000449779265 564201671 /nfs/dbraw/zinc/20/16/71/564201671.db2.gz SXRCUBXMMWWFSH-SNVBAGLBSA-N 1 0 381.217 2.673 20 0 GFADRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)Cc1cccc(I)c1 ZINC000472054440 564212144 /nfs/dbraw/zinc/21/21/44/564212144.db2.gz UDBKYFZHMUHXEL-CQSZACIVSA-N 1 0 386.277 2.634 20 0 GFADRO C[C@@H](Cc1ccc(F)cc1Br)[NH2+][C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000564108041 564219949 /nfs/dbraw/zinc/21/99/49/564219949.db2.gz JRPHBNPPOMUNMN-SMDDNHRTSA-N 1 0 393.322 2.533 20 0 GFADRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NS(=O)(=O)c1cc(F)ccc1Br ZINC000473944136 564258548 /nfs/dbraw/zinc/25/85/48/564258548.db2.gz WEEHOMXSDGPFEQ-RYUDHWBXSA-N 1 0 393.322 2.987 20 0 GFADRO Cc1cc(S(=O)(=O)N(C)[C@H]2CC[N@@H+](C(C)C)C2)sc1Br ZINC000452107266 564394222 /nfs/dbraw/zinc/39/42/22/564394222.db2.gz SBMSOFALFXKSBS-NSHDSACASA-N 1 0 381.361 2.922 20 0 GFADRO C[C@H](c1nc(N)nc(Cl)n1)N(C)C[C@H](O)c1ccccc1Br ZINC000295257903 563238977 /nfs/dbraw/zinc/23/89/77/563238977.db2.gz GPSQIIYOUZGKPE-KCJUWKMLSA-N 1 0 386.681 2.596 20 0 GFADRO C[NH+]1CCC(C(=O)NCc2c(Br)cncc2Br)CC1 ZINC000295896641 563266714 /nfs/dbraw/zinc/26/67/14/563266714.db2.gz YWSCRAQFUYGZHP-UHFFFAOYSA-N 1 0 391.107 2.565 20 0 GFADRO COc1ccc(S(=O)(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c(Br)c1 ZINC000280163347 563325042 /nfs/dbraw/zinc/32/50/42/563325042.db2.gz CDLVSDQTTZJASS-NWDGAFQWSA-N 1 0 391.331 2.561 20 0 GFADRO C[C@@H]([NH2+]Cc1ccc(OC(F)(F)F)c(Br)c1)C(=O)NCCF ZINC000282590339 563417449 /nfs/dbraw/zinc/41/74/49/563417449.db2.gz GPWFMMVRUASBJB-MRVPVSSYSA-N 1 0 387.171 2.912 20 0 GFADRO Cc1ccc(S(=O)(=O)NC(C)(C)C[NH+]2CCCC2)c(Br)c1 ZINC000308673490 563434661 /nfs/dbraw/zinc/43/46/61/563434661.db2.gz DLSCSBPXJKKSJB-UHFFFAOYSA-N 1 0 375.332 2.910 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)NCCc2c[nH]c3cccc(Br)c23)C1 ZINC000418200098 563213242 /nfs/dbraw/zinc/21/32/42/563213242.db2.gz PHCFLGAJNNGSKH-WCQYABFASA-N 1 0 379.302 2.852 20 0 GFADRO CC[NH+](CC)CCOc1ccc(CNC(=O)CSC(F)F)cc1OC ZINC000294703876 563213762 /nfs/dbraw/zinc/21/37/62/563213762.db2.gz VMINQXUQVLREKQ-UHFFFAOYSA-N 1 0 376.469 2.988 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)NCc2nc3c(cccc3Br)[nH]2)C1 ZINC000418275167 563214584 /nfs/dbraw/zinc/21/45/84/563214584.db2.gz YSKXHEVLGSYLCG-WDEREUQCSA-N 1 0 380.290 2.594 20 0 GFADRO CCC[C@@H]1C[NH2+]CCN1C(=O)NCc1nc2c(cccc2Br)[nH]1 ZINC000418266095 563214755 /nfs/dbraw/zinc/21/47/55/563214755.db2.gz MJJOHNWKQNUABJ-LLVKDONJSA-N 1 0 380.290 2.609 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]CCCOC(C)C ZINC000294729115 563214757 /nfs/dbraw/zinc/21/47/57/563214757.db2.gz IWFGRAQSOCGCAG-ZDUSSCGKSA-N 1 0 387.318 2.867 20 0 GFADRO O=C(NCCN1CC[NH2+]CC1)N1CCC(Sc2ccc(Cl)cc2)CC1 ZINC000418289549 563215535 /nfs/dbraw/zinc/21/55/35/563215535.db2.gz CUMPMXVKYRXHML-UHFFFAOYSA-N 1 0 382.961 2.511 20 0 GFADRO [NH3+]C1(CNC(=O)NC[C@H](CO)Cc2cccc(Br)c2)CCCCC1 ZINC000418316625 563215806 /nfs/dbraw/zinc/21/58/06/563215806.db2.gz LVQDQUQFXFRASQ-OAHLLOKOSA-N 1 0 398.345 2.561 20 0 GFADRO CN(C)[C@@H](CNC(=O)c1c(Br)cnn1C)c1ccccc1Cl ZINC000294768690 563215978 /nfs/dbraw/zinc/21/59/78/563215978.db2.gz MOHLLPKKZTWWDA-ZDUSSCGKSA-N 1 0 385.693 2.869 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[N@@H+]1CCC[C@H]1C[C@@H](C)O ZINC000294772918 563216247 /nfs/dbraw/zinc/21/62/47/563216247.db2.gz JNNJQHZAKLOMDW-WWGRRREGSA-N 1 0 399.329 2.698 20 0 GFADRO CC(=O)c1ccc(S(=O)(=O)NC[C@H]2CC[N@@H+](C)[C@@H]2c2cccs2)cc1 ZINC000369538067 563216294 /nfs/dbraw/zinc/21/62/94/563216294.db2.gz ADHXLRBHYWLDRJ-QAPCUYQASA-N 1 0 378.519 2.922 20 0 GFADRO C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)N[C@H]2CCC[NH2+]C2)CC1 ZINC000418383805 563216472 /nfs/dbraw/zinc/21/64/72/563216472.db2.gz NZNSWNMSSRKEKS-YOEHRIQHSA-N 1 0 395.345 2.589 20 0 GFADRO CC(C)[C@@H]([NH3+])CNC(=O)N1CCN([C@@H](C)c2ccc(Br)cc2)CC1 ZINC000418374893 563216640 /nfs/dbraw/zinc/21/66/40/563216640.db2.gz DCVCOGGOPDAEIN-YOEHRIQHSA-N 1 0 397.361 2.821 20 0 GFADRO CC(C)(COc1ncccc1Br)NC(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000418423574 563217265 /nfs/dbraw/zinc/21/72/65/563217265.db2.gz JKWLLWUIJIRMCW-TZMCWYRMSA-N 1 0 399.333 2.818 20 0 GFADRO CCC[NH2+]CCNC(=O)N1CCO[C@H](c2ccc(Br)cc2)[C@H]1C ZINC000418464809 563217707 /nfs/dbraw/zinc/21/77/07/563217707.db2.gz BRPHFJXFCHDXNM-CJNGLKHVSA-N 1 0 384.318 2.920 20 0 GFADRO CCCC[C@@H](C[NH3+])NC(=O)N(CCO)Cc1cc(Br)ccc1F ZINC000418468893 563217723 /nfs/dbraw/zinc/21/77/23/563217723.db2.gz PVNSTIVDHGDXKO-AWEZNQCLSA-N 1 0 390.297 2.610 20 0 GFADRO COCCN(Cc1ccc(Br)s1)C(=O)N[C@H]1CCC[C@@H]1C[NH3+] ZINC000418444714 563218110 /nfs/dbraw/zinc/21/81/10/563218110.db2.gz ATOJHLRZNIRHBL-YPMHNXCESA-N 1 0 390.347 2.796 20 0 GFADRO COCC[NH2+]CCNC(=O)N1CCC[C@@H]1c1ccc(Br)c(C)c1 ZINC000418508870 563218757 /nfs/dbraw/zinc/21/87/57/563218757.db2.gz NPZSTEBEYOWOJB-MRXNPFEDSA-N 1 0 384.318 2.840 20 0 GFADRO [NH3+][C@H](CNC(=O)N1CCN(CCc2ccc(Cl)c(Cl)c2)CC1)C1CC1 ZINC000418500449 563218831 /nfs/dbraw/zinc/21/88/31/563218831.db2.gz PPUHBJQFEXQSFB-QGZVFWFLSA-N 1 0 385.339 2.600 20 0 GFADRO C[C@H]1[C@H](c2ccc(Br)cc2)OCCN1C(=O)NCC1([NH3+])CCC1 ZINC000418507237 563218932 /nfs/dbraw/zinc/21/89/32/563218932.db2.gz IFJZMPPPEWOHQC-SWLSCSKDSA-N 1 0 382.302 2.802 20 0 GFADRO C[C@@H](CC[NH3+])NC(=O)N1CCC[C@H]1c1ccccc1I ZINC000418522124 563219602 /nfs/dbraw/zinc/21/96/02/563219602.db2.gz JAYDOCZNNFVFCP-FZMZJTMJSA-N 1 0 387.265 2.875 20 0 GFADRO COCCN(Cc1sccc1Br)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000418573788 563220236 /nfs/dbraw/zinc/22/02/36/563220236.db2.gz LOUSHWMNPQGDCM-WCQYABFASA-N 1 0 390.347 2.667 20 0 GFADRO O=C(NC[C@H](O)c1ccc(Cl)cc1Cl)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000369658339 563220506 /nfs/dbraw/zinc/22/05/06/563220506.db2.gz WKTVJVZMIXCYRJ-LRDDRELGSA-N 1 0 383.279 2.578 20 0 GFADRO [NH3+][C@@H]1CCC[C@H](NC(=O)N2CCO[C@H](c3cccc(Br)c3)C2)C1 ZINC000418588672 563220684 /nfs/dbraw/zinc/22/06/84/563220684.db2.gz RXHDDWZYRFOAJG-PMPSAXMXSA-N 1 0 382.302 2.802 20 0 GFADRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N[C@H](CO)c1ccc(Cl)cc1C(F)(F)F ZINC000418603640 563220717 /nfs/dbraw/zinc/22/07/17/563220717.db2.gz WUEQJMGOHHKMJX-BIGNPOOSSA-N 1 0 379.810 2.689 20 0 GFADRO COCCN(Cc1cc(Br)cs1)C(=O)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000418595243 563220982 /nfs/dbraw/zinc/22/09/82/563220982.db2.gz GFEKGFHQLLVGLV-YPMHNXCESA-N 1 0 390.347 2.809 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H](NC(=O)N2CCO[C@@H](c3cccc(Br)c3)C2)C1 ZINC000418588669 563220997 /nfs/dbraw/zinc/22/09/97/563220997.db2.gz RXHDDWZYRFOAJG-BZUAXINKSA-N 1 0 382.302 2.802 20 0 GFADRO CC1(C)CCC[NH2+][C@H]1CNC(=O)N[C@H](CCO)c1ccccc1Br ZINC000418631495 563221275 /nfs/dbraw/zinc/22/12/75/563221275.db2.gz BDDXDDVMJPHSCJ-CVEARBPZSA-N 1 0 398.345 2.950 20 0 GFADRO [NH3+]C[C@@H](NC(=O)N1CCOc2ccc(Br)cc2C1)C1CCCC1 ZINC000418609649 563221431 /nfs/dbraw/zinc/22/14/31/563221431.db2.gz CMGQWDHNTYGIML-OAHLLOKOSA-N 1 0 382.302 2.871 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)c2nn(C)cc2Br)CC[N@@H+]1Cc1ccccc1 ZINC000294914197 563221569 /nfs/dbraw/zinc/22/15/69/563221569.db2.gz KAUUKWDPTUIJIE-HIFRSBDPSA-N 1 0 391.313 2.966 20 0 GFADRO COCCN(Cc1sccc1Br)C(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000418614012 563221663 /nfs/dbraw/zinc/22/16/63/563221663.db2.gz WXDXDPSMCCIEFQ-VXGBXAGGSA-N 1 0 390.347 2.809 20 0 GFADRO C[C@@H]([NH3+])[C@H](C)NC(=O)N1CCN(c2ccc(C(F)(F)F)cc2Cl)CC1 ZINC000418688852 563222348 /nfs/dbraw/zinc/22/23/48/563222348.db2.gz BECOSJBEIXCWKE-MNOVXSKESA-N 1 0 378.826 2.926 20 0 GFADRO C[C@H](CCC[NH3+])NC(=O)N1CCN(C(=O)c2c(Cl)cccc2Cl)CC1 ZINC000418706525 563222719 /nfs/dbraw/zinc/22/27/19/563222719.db2.gz OTGHMAPKTOMFRW-GFCCVEGCSA-N 1 0 387.311 2.588 20 0 GFADRO CSC1(CNC(=O)NC2CC[NH+](Cc3ccsc3)CC2)CCOCC1 ZINC000369742705 563223414 /nfs/dbraw/zinc/22/34/14/563223414.db2.gz TWDFRGZMXPTHPI-UHFFFAOYSA-N 1 0 383.583 2.924 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2C(=O)Cc1cccc(Br)c1 ZINC000369770135 563224093 /nfs/dbraw/zinc/22/40/93/563224093.db2.gz CCBXQKXUJDCYTH-IXDOHACOSA-N 1 0 381.314 2.702 20 0 GFADRO O=C(NCCC[C@H]1CCC[NH2+]1)N1CCC(n2cc(Br)cn2)CC1 ZINC000418753655 563224199 /nfs/dbraw/zinc/22/41/99/563224199.db2.gz VRTIXOHTMGTABF-CQSZACIVSA-N 1 0 384.322 2.524 20 0 GFADRO COCCN(Cc1ccc(F)cc1Cl)C(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000418742820 563224484 /nfs/dbraw/zinc/22/44/84/563224484.db2.gz CHTGJCDEZZNXIV-AWEZNQCLSA-N 1 0 379.810 2.634 20 0 GFADRO CN1CC[NH2+]C[C@@H]1CNC(=O)N1CCC(Sc2ccc(Cl)cc2)CC1 ZINC000418769698 563224889 /nfs/dbraw/zinc/22/48/89/563224889.db2.gz UDFMIJHUGPSYQD-OAHLLOKOSA-N 1 0 382.961 2.510 20 0 GFADRO O=C(NCCNc1cccc(Br)c1)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000418804155 563226069 /nfs/dbraw/zinc/22/60/69/563226069.db2.gz WTCJEYICYQKCQT-DVOMOZLQSA-N 1 0 381.318 2.548 20 0 GFADRO C[C@H](NC(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1)c1ccc(Cl)cc1Cl ZINC000418828868 563226668 /nfs/dbraw/zinc/22/66/68/563226668.db2.gz IHOFVBKIEQXXSW-KHJVZFFJSA-N 1 0 384.307 2.756 20 0 GFADRO CN(Cc1ccc(Br)cc1)C(=O)C1([NH+]2CCN(C)CC2)CCCC1 ZINC000369882228 563227192 /nfs/dbraw/zinc/22/71/92/563227192.db2.gz JZFGAAOPMOMQGJ-UHFFFAOYSA-N 1 0 394.357 2.968 20 0 GFADRO C[C@H](NC(=O)C(=O)N1C[C@@H](C[NH3+])C[C@H]1C)c1cc(F)c(Cl)cc1Cl ZINC000418856522 563227746 /nfs/dbraw/zinc/22/77/46/563227746.db2.gz XARJKGYGGVACPG-KXUCPTDWSA-N 1 0 376.259 2.505 20 0 GFADRO C[C@@H](NC(=O)C(=O)N[C@@H](C[NH3+])C1CCCC1)c1cc(F)c(Cl)cc1Cl ZINC000418851335 563227803 /nfs/dbraw/zinc/22/78/03/563227803.db2.gz PJKOVMATGIHNEZ-PSLIRLAXSA-N 1 0 390.286 2.943 20 0 GFADRO CC(C)[C@H](CNC(=O)C(=O)N(C)[C@H](C)C[NH3+])Cc1ccc(Cl)cc1Cl ZINC000418855645 563228206 /nfs/dbraw/zinc/22/82/06/563228206.db2.gz MYEPJOOAKYTEQB-OCCSQVGLSA-N 1 0 388.339 2.730 20 0 GFADRO CN(C)C(=O)C1([NH2+]CC(=O)Nc2ccccc2Br)CCCCC1 ZINC000295073516 563228305 /nfs/dbraw/zinc/22/83/05/563228305.db2.gz DHEIZPGUMVMGIV-UHFFFAOYSA-N 1 0 382.302 2.768 20 0 GFADRO [NH3+]C[C@H]1CCCCN1C(=O)C(=O)N[C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000418892822 563229265 /nfs/dbraw/zinc/22/92/65/563229265.db2.gz OKYXEXHKNLXODI-MGPQQGTHSA-N 1 0 384.307 2.695 20 0 GFADRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)N[C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000418896921 563229434 /nfs/dbraw/zinc/22/94/34/563229434.db2.gz WHHYJTBSFYWAHO-XCCSTKFXSA-N 1 0 384.307 2.564 20 0 GFADRO COc1cc(C[NH2+]C[C@H]2CCCN2c2cccnn2)cc(Br)c1O ZINC000369968088 563229378 /nfs/dbraw/zinc/22/93/78/563229378.db2.gz AVYYHSZVHQSYGP-CYBMUJFWSA-N 1 0 393.285 2.712 20 0 GFADRO O[C@@H](C[NH2+]Cc1ncc(I)s1)Cc1cccc(F)c1 ZINC000295123904 563230362 /nfs/dbraw/zinc/23/03/62/563230362.db2.gz NQECOGAXHRHVDH-LLVKDONJSA-N 1 0 392.237 2.580 20 0 GFADRO CC1CC[NH+](CCCCNC(=O)Cc2cc[nH]c(=O)c2Br)CC1 ZINC000277886525 563230725 /nfs/dbraw/zinc/23/07/25/563230725.db2.gz LDOONMHAUWCJEK-UHFFFAOYSA-N 1 0 384.318 2.721 20 0 GFADRO OCCCN1CCC[C@H]([NH2+]Cc2ccc(Br)c3cccnc23)C1 ZINC000295141984 563231069 /nfs/dbraw/zinc/23/10/69/563231069.db2.gz PYSBYDUWFYFXFQ-HNNXBMFYSA-N 1 0 378.314 2.934 20 0 GFADRO C[C@@H]1C[N@H+](CCCNC(=O)[C@H](O)c2ccc(Cl)c(Cl)c2)CCCO1 ZINC000295154880 563231585 /nfs/dbraw/zinc/23/15/85/563231585.db2.gz NYSDUYUPTZCFEB-MLGOLLRUSA-N 1 0 375.296 2.644 20 0 GFADRO COC[C@]1(C(=O)OC)CC[N@H+](CCC(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000295158405 563231955 /nfs/dbraw/zinc/23/19/55/563231955.db2.gz MVHFIBVEMNTWAI-KRWDZBQOSA-N 1 0 389.279 2.834 20 0 GFADRO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@H]1CCCN(CCCO)C1 ZINC000295177838 563233474 /nfs/dbraw/zinc/23/34/74/563233474.db2.gz VFXPSAXEOLRKII-PBHICJAKSA-N 1 0 398.345 2.603 20 0 GFADRO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N[C@@H](c1ccsc1)c1ccc(Cl)cc1 ZINC000419127273 563234021 /nfs/dbraw/zinc/23/40/21/563234021.db2.gz PKKNNMRGKOUEED-JKSUJKDBSA-N 1 0 379.913 2.707 20 0 GFADRO COc1cc(Br)c(C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)cc1OC ZINC000295183181 563234120 /nfs/dbraw/zinc/23/41/20/563234120.db2.gz TXMUDZBMBUOLRD-QMTHXVAHSA-N 1 0 383.286 2.679 20 0 GFADRO C[NH2+]CCCNC(=O)C(=O)NCC1(c2ccc(Cl)cc2Cl)CCCC1 ZINC000419159315 563234812 /nfs/dbraw/zinc/23/48/12/563234812.db2.gz XBWUYECQSSTIJL-UHFFFAOYSA-N 1 0 386.323 2.647 20 0 GFADRO CCCN(C(=O)C(=O)N[C@@H]1CCSc2ccc(Cl)cc21)[C@H]1CC[NH2+]C1 ZINC000419250014 563235252 /nfs/dbraw/zinc/23/52/52/563235252.db2.gz YULJZYMGDRDVOL-DZGCQCFKSA-N 1 0 381.929 2.594 20 0 GFADRO C[C@@H]([NH3+])C1CCN(C(=O)C(=O)N[C@@H]2CCSc3ccc(Cl)cc32)CC1 ZINC000419241804 563235373 /nfs/dbraw/zinc/23/53/73/563235373.db2.gz SARYHYOFUSETPS-IAQYHMDHSA-N 1 0 381.929 2.579 20 0 GFADRO C[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000419273776 563236226 /nfs/dbraw/zinc/23/62/26/563236226.db2.gz AVBWRXSPFJOTIR-OLZOCXBDSA-N 1 0 386.323 2.547 20 0 GFADRO C[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000419282134 563236255 /nfs/dbraw/zinc/23/62/55/563236255.db2.gz LRMIDCBVAIVRKB-STQMWFEESA-N 1 0 386.323 2.628 20 0 GFADRO Cn1cnc2c1CCN(S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)C2 ZINC000370256105 563238030 /nfs/dbraw/zinc/23/80/30/563238030.db2.gz LIXOIIBRLYUBNG-UHFFFAOYSA-N 1 0 379.791 2.839 20 0 GFADRO C[C@@H]1CN(CC(=O)Nc2c(Cl)cc(Cl)cc2Cl)[C@@H](C)C[N@@H+]1CCO ZINC000419339659 563238070 /nfs/dbraw/zinc/23/80/70/563238070.db2.gz MIVHNXYMJUMIPG-MNOVXSKESA-N 1 0 394.730 2.972 20 0 GFADRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)NCC(C)(C)c1ccc(Cl)c(Cl)c1 ZINC000419355802 563238315 /nfs/dbraw/zinc/23/83/15/563238315.db2.gz GWKZFJYVOOAEPF-NHYWBVRUSA-N 1 0 386.323 2.501 20 0 GFADRO C[C@H]1CN(C(=O)C(=O)NCC(C)(C)c2ccc(Cl)c(Cl)c2)CC[C@@H]1[NH3+] ZINC000419354290 563238764 /nfs/dbraw/zinc/23/87/64/563238764.db2.gz DOPDXRNGPXFQOH-NHYWBVRUSA-N 1 0 386.323 2.583 20 0 GFADRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)NCC(C)(C)c1ccc(Cl)c(Cl)c1 ZINC000419355071 563238771 /nfs/dbraw/zinc/23/87/71/563238771.db2.gz FQHGEQRFDYRJQB-VXGBXAGGSA-N 1 0 386.323 2.583 20 0 GFADRO C[C@@H](CNS(=O)(=O)C[C@@H]1CCCC1(F)F)N1CCc2sccc2C1 ZINC000295259940 563238884 /nfs/dbraw/zinc/23/88/84/563238884.db2.gz XZJQZKNJAUVPOX-JSGCOSHPSA-N 1 0 378.510 2.850 20 0 GFADRO O=C(Nc1cccc(C[N@@H+]2C[C@@H](O)[C@@H](O)C2)c1)c1ccc(Cl)cc1Cl ZINC000278110127 563240998 /nfs/dbraw/zinc/24/09/98/563240998.db2.gz AACDGHIKHXLUAJ-CALCHBBNSA-N 1 0 381.259 2.783 20 0 GFADRO CCCN(C(=O)C(=O)NC[C@H](C)c1c(Cl)cccc1Cl)[C@H]1CC[NH2+]C1 ZINC000419515106 563241292 /nfs/dbraw/zinc/24/12/92/563241292.db2.gz ISDPGGRHAHUNMO-STQMWFEESA-N 1 0 386.323 2.814 20 0 GFADRO C[C@H](CNC(=O)C(=O)N[C@H](C[NH3+])C1CCCC1)c1c(Cl)cccc1Cl ZINC000419522973 563241727 /nfs/dbraw/zinc/24/17/27/563241727.db2.gz VLCRAZVBDIGMFS-IAQYHMDHSA-N 1 0 386.323 2.847 20 0 GFADRO C[C@H](Cc1c(Cl)cccc1Cl)NC(=O)C(=O)N(C)[C@@H]1CCC[NH2+]CC1 ZINC000419554674 563242025 /nfs/dbraw/zinc/24/20/25/563242025.db2.gz HOKIRZPQORHNIN-CHWSQXEVSA-N 1 0 386.323 2.641 20 0 GFADRO C[C@H](Cc1c(Cl)cccc1Cl)NC(=O)C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000419581770 563242422 /nfs/dbraw/zinc/24/24/22/563242422.db2.gz BUOVIWKRVQGBFR-XIKOKIGWSA-N 1 0 386.323 2.547 20 0 GFADRO Cc1sc(Br)c(C(=O)N[C@@H]2CCC[N@H+](CCCO)C2)c1C ZINC000295399342 563245236 /nfs/dbraw/zinc/24/52/36/563245236.db2.gz IKGLATPHECVLLQ-GFCCVEGCSA-N 1 0 375.332 2.704 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+]C[C@@H]2CCO[C@H]2c2ccccc2)cc1Cl ZINC000419700080 563246983 /nfs/dbraw/zinc/24/69/83/563246983.db2.gz WZXMVQVFQVEAHN-YJBOKZPZSA-N 1 0 380.897 2.855 20 0 GFADRO CC[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)N1C[C@@H](C[NH3+])C[C@H]1C ZINC000419745949 563248574 /nfs/dbraw/zinc/24/85/74/563248574.db2.gz BFXMRHKCYPKWCT-LALPHHSUSA-N 1 0 386.323 2.626 20 0 GFADRO CC(C)c1cc(Br)ccc1NC(=O)C(=O)NCC1([NH+](C)C)CC1 ZINC000419798158 563251293 /nfs/dbraw/zinc/25/12/93/563251293.db2.gz WTNPGHXVABUTQG-UHFFFAOYSA-N 1 0 382.302 2.721 20 0 GFADRO O=C(NCC[C@H]1CC[NH2+]C1)C(=O)N(Cc1ccc(Cl)c(Cl)c1)C1CC1 ZINC000419914623 563252398 /nfs/dbraw/zinc/25/23/98/563252398.db2.gz OIUSUVTYGUUBCK-GFCCVEGCSA-N 1 0 384.307 2.600 20 0 GFADRO CC(C)N(Cc1cccc(Br)c1)C(=O)C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000419887958 563252655 /nfs/dbraw/zinc/25/26/55/563252655.db2.gz FLTAVGDOEYWPTG-HOTGVXAUSA-N 1 0 396.329 2.572 20 0 GFADRO O=C(c1cccc(Cl)c1Cl)N1CC[NH+](C[C@H]2CCNC(=O)CC2)CC1 ZINC000295542468 563253072 /nfs/dbraw/zinc/25/30/72/563253072.db2.gz OKTUPJASWRRVJV-CYBMUJFWSA-N 1 0 384.307 2.668 20 0 GFADRO COc1ccc(Br)c(C(=O)NC[C@H]2CCC[C@@H]2[NH+]2CCOCC2)c1 ZINC000370758661 563254104 /nfs/dbraw/zinc/25/41/04/563254104.db2.gz LCTYCUMRAIDYHO-DYVFJYSZSA-N 1 0 397.313 2.688 20 0 GFADRO COc1cc(Cl)c(Br)cc1C(=O)NC[C@](C)(O)CC[NH+](C)C ZINC000419970416 563254706 /nfs/dbraw/zinc/25/47/06/563254706.db2.gz BVKGOJGXRMOZFD-OAHLLOKOSA-N 1 0 393.709 2.544 20 0 GFADRO O=C(NC[C@H]1CCC[C@H]1[NH+]1CCOCC1)c1ccc(Br)c(F)c1 ZINC000370777145 563254731 /nfs/dbraw/zinc/25/47/31/563254731.db2.gz WNSLWRKSNNNPBS-CZUORRHYSA-N 1 0 385.277 2.819 20 0 GFADRO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N(Cc1ccc(Br)cc1)C(C)C ZINC000419980354 563255297 /nfs/dbraw/zinc/25/52/97/563255297.db2.gz RKSMWYCZSYPDOQ-INIZCTEOSA-N 1 0 398.345 2.676 20 0 GFADRO CN(C(=O)c1ccc(Br)c(F)c1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000370842902 563257244 /nfs/dbraw/zinc/25/72/44/563257244.db2.gz QIXYXHOLYMWMQO-OAHLLOKOSA-N 1 0 398.320 2.829 20 0 GFADRO C[C@@H](c1ccccc1Br)N(C)C(=O)C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000420050114 563257572 /nfs/dbraw/zinc/25/75/72/563257572.db2.gz GZSMMYXTXWQPSN-LRDDRELGSA-N 1 0 396.329 2.602 20 0 GFADRO Cc1ccc(C(=O)N2CCC([NH2+]Cc3c(Br)cnn3C)CC2)cc1 ZINC000278496819 563258638 /nfs/dbraw/zinc/25/86/38/563258638.db2.gz MZMWIXGIXWXZHP-UHFFFAOYSA-N 1 0 391.313 2.885 20 0 GFADRO Cn1cc([C@H]2[C@@H](CNC(=O)c3ccc(Br)cc3)CCC[N@@H+]2C)cn1 ZINC000370905943 563258921 /nfs/dbraw/zinc/25/89/21/563258921.db2.gz SMXXVGNOHQVCJP-RHSMWYFYSA-N 1 0 391.313 2.996 20 0 GFADRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)C(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000420190134 563259536 /nfs/dbraw/zinc/25/95/36/563259536.db2.gz GTSOGIOYOCSOTR-KFNAQCHYSA-N 1 0 384.307 2.901 20 0 GFADRO Cn1cc([C@@H]2[C@@H](CNC(=O)c3ccc(Br)o3)CCC[N@@H+]2C)cn1 ZINC000370922786 563259979 /nfs/dbraw/zinc/25/99/79/563259979.db2.gz LXUQVKXBEBHMBW-ABAIWWIYSA-N 1 0 381.274 2.589 20 0 GFADRO C[C@H](c1ccncc1)[NH+]1CCC(NCc2c(Br)cnn2C)CC1 ZINC000278524217 563260283 /nfs/dbraw/zinc/26/02/83/563260283.db2.gz QQAZEERZTNENRK-CYBMUJFWSA-N 1 0 378.318 2.893 20 0 GFADRO Cc1cn2c(n1)[C@@H](CNS(=O)(=O)c1ccc(Br)cc1)CCC2 ZINC000370953458 563260864 /nfs/dbraw/zinc/26/08/64/563260864.db2.gz NFHSSWIRHQQQFW-GFCCVEGCSA-N 1 0 384.299 2.810 20 0 GFADRO O=S(=O)(CC1CC(F)(F)C1)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000295743787 563260862 /nfs/dbraw/zinc/26/08/62/563260862.db2.gz PZGTYQRKAFFZBE-ZDUSSCGKSA-N 1 0 378.510 2.925 20 0 GFADRO FC(F)(F)c1ccc(I)c(N2CC[C@@H]3C[NH2+]C[C@H]3C2)n1 ZINC000420266375 563261274 /nfs/dbraw/zinc/26/12/74/563261274.db2.gz VZIRYAPTZCXDMI-BDAKNGLRSA-N 1 0 397.182 2.751 20 0 GFADRO COc1cc(Br)c(C[NH2+][C@@H]2CCCN(c3ccnn3C)C2)cc1O ZINC000278558097 563261721 /nfs/dbraw/zinc/26/17/21/563261721.db2.gz AOXSPWHBCQTXPA-CYBMUJFWSA-N 1 0 395.301 2.655 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH2+]C[C@@]1(O)CCO[C@H]1C ZINC000278589125 563262384 /nfs/dbraw/zinc/26/23/84/563262384.db2.gz GQVUDBXTAXGSGT-KSSFIOAISA-N 1 0 394.313 2.881 20 0 GFADRO O=C(CN1CCC[C@]2(CC[NH2+]C2)C1)Nc1c(F)cc(F)cc1Br ZINC000420375460 563262576 /nfs/dbraw/zinc/26/25/76/563262576.db2.gz OHZPLKVNTBJUQS-MRXNPFEDSA-N 1 0 388.256 2.741 20 0 GFADRO O=S(=O)(c1ccc(Br)s1)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420454262 563263831 /nfs/dbraw/zinc/26/38/31/563263831.db2.gz DVWLQPYCHTVGNU-WDEREUQCSA-N 1 0 379.345 2.663 20 0 GFADRO O=S(=O)(c1ccc(Br)s1)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420454259 563263875 /nfs/dbraw/zinc/26/38/75/563263875.db2.gz DVWLQPYCHTVGNU-GHMZBOCLSA-N 1 0 379.345 2.663 20 0 GFADRO CC1(C)C[NH2+]CC[C@@H]1NS(=O)(=O)c1cccc(Cl)c1Br ZINC000420462529 563264358 /nfs/dbraw/zinc/26/43/58/563264358.db2.gz MXPVRWIHWMZWOG-NSHDSACASA-N 1 0 381.723 2.769 20 0 GFADRO C[C@@H](C[NH2+]C1CCN(S(=O)(=O)C(F)(F)F)CC1)c1cc(F)cc(F)c1 ZINC000295840759 563264706 /nfs/dbraw/zinc/26/47/06/563264706.db2.gz VWSYUHYJEJVDAF-JTQLQIEISA-N 1 0 386.386 2.972 20 0 GFADRO O=S(=O)(c1ccc(F)cc1C(F)(F)F)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420471142 563264999 /nfs/dbraw/zinc/26/49/99/563264999.db2.gz XWZNODSXCRPCQF-BXUZGUMPSA-N 1 0 380.407 2.997 20 0 GFADRO O=S(=O)(c1ccc(Br)c(F)c1)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420468266 563265129 /nfs/dbraw/zinc/26/51/29/563265129.db2.gz UCQJIPXTCIEONN-ABAIWWIYSA-N 1 0 391.306 2.741 20 0 GFADRO C[NH2+]CCCN(C)S(=O)(=O)c1cc(Br)cc(C(F)(F)F)c1 ZINC000420471987 563265157 /nfs/dbraw/zinc/26/51/57/563265157.db2.gz QYIUSQSQNFMEFH-UHFFFAOYSA-N 1 0 389.237 2.698 20 0 GFADRO O=S(=O)(c1cc(Br)ccc1F)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420470553 563265248 /nfs/dbraw/zinc/26/52/48/563265248.db2.gz XAALYFWTLCTOOR-SMDDNHRTSA-N 1 0 391.306 2.741 20 0 GFADRO O=C(CN1CCC2(CCOC2=O)CC1)Nc1ccc(Br)cc1F ZINC000371149715 563266979 /nfs/dbraw/zinc/26/69/79/563266979.db2.gz WXJYIDUWEMGAJC-UHFFFAOYSA-N 1 0 385.233 2.556 20 0 GFADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+]C[C@@H](C)SC ZINC000295901145 563267784 /nfs/dbraw/zinc/26/77/84/563267784.db2.gz ZAPFSOXMGNGNJS-GHMZBOCLSA-N 1 0 375.332 2.804 20 0 GFADRO C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1NC(=O)Nc1cncc(Br)c1 ZINC000371195921 563268150 /nfs/dbraw/zinc/26/81/50/563268150.db2.gz AZASJSQIRIVFGB-UHOFOFEASA-N 1 0 397.317 2.855 20 0 GFADRO C[C@@H]1CN(C(=O)c2ccc(F)cc2Br)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000371216637 563268337 /nfs/dbraw/zinc/26/83/37/563268337.db2.gz AMKROZQMEDSRKS-CXAGYDPISA-N 1 0 398.320 2.686 20 0 GFADRO COc1cc(C[NH2+]C[C@]2(O)CCO[C@H]2C)cc(Br)c1OC(F)F ZINC000278778381 563269703 /nfs/dbraw/zinc/26/97/03/563269703.db2.gz YVNXQFRTENMZMU-BJOHPYRUSA-N 1 0 396.228 2.689 20 0 GFADRO COc1cc(C[NH2+]C[C@@]2(O)CCO[C@@H]2C)cc(Br)c1OC(F)F ZINC000278778384 563269787 /nfs/dbraw/zinc/26/97/87/563269787.db2.gz YVNXQFRTENMZMU-PSLIRLAXSA-N 1 0 396.228 2.689 20 0 GFADRO O=S(=O)(c1cccs1)N1CCC([NH2+][C@H](CCO)C2CCCCC2)CC1 ZINC000371252237 563269875 /nfs/dbraw/zinc/26/98/75/563269875.db2.gz UMHFYNZFCQYQGQ-QGZVFWFLSA-N 1 0 386.583 2.822 20 0 GFADRO C[N@@H+]1CCC[C@H](CCNC(=O)C(=O)NCCc2ccc(Cl)cc2Cl)C1 ZINC000420658556 563270146 /nfs/dbraw/zinc/27/01/46/563270146.db2.gz VBDMNKOMOOWCOL-CYBMUJFWSA-N 1 0 386.323 2.500 20 0 GFADRO O=S(=O)(NC[C@@H]1CC[N@@H+](C2CC2)C1)c1cc(Cl)ccc1OC(F)F ZINC000420659587 563270864 /nfs/dbraw/zinc/27/08/64/563270864.db2.gz WNVCLIQXFADDJQ-JTQLQIEISA-N 1 0 380.844 2.704 20 0 GFADRO COc1cc(Br)c(CNC(=O)[C@@H]2CCC[N@@H+]2C2CC2)cc1OC ZINC000278796114 563270954 /nfs/dbraw/zinc/27/09/54/563270954.db2.gz WCTHBVKYVDNBKL-AWEZNQCLSA-N 1 0 383.286 2.709 20 0 GFADRO CCCOC[C@@H](Cc1cccc(Br)c1)[NH2+]C1CCN(C=O)CC1 ZINC000278783162 563270998 /nfs/dbraw/zinc/27/09/98/563270998.db2.gz QAWGQIBKQZTUEA-GOSISDBHSA-N 1 0 383.330 2.997 20 0 GFADRO CC[NH+](CC)C[C@@H]1CCN(S(=O)(=O)c2cc(F)ccc2OC(F)F)C1 ZINC000420669150 563271174 /nfs/dbraw/zinc/27/11/74/563271174.db2.gz KXXLAYHGGJZTFO-LBPRGKRZSA-N 1 0 380.432 2.780 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2CC(=O)Nc1ccc(Br)cc1 ZINC000371294640 563271610 /nfs/dbraw/zinc/27/16/10/563271610.db2.gz MEKFIGUYDFSVQH-IXDOHACOSA-N 1 0 396.329 2.571 20 0 GFADRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)S(=O)(=O)c1cc(Cl)ccc1OC(F)F ZINC000420670945 563272014 /nfs/dbraw/zinc/27/20/14/563272014.db2.gz IQVJMCHZSDEDLU-CMPLNLGQSA-N 1 0 382.860 2.902 20 0 GFADRO O=S(=O)(N[C@H]1CC[N@@H+](C2CCCC2)C1)c1cc(F)ccc1OC(F)F ZINC000420674439 563272107 /nfs/dbraw/zinc/27/21/07/563272107.db2.gz ICNNHDBRGAOPOL-LBPRGKRZSA-N 1 0 378.416 2.722 20 0 GFADRO COc1cc(Br)ccc1C(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC000278851678 563273490 /nfs/dbraw/zinc/27/34/90/563273490.db2.gz MAPATUQQQNWUOW-ZDUSSCGKSA-N 1 0 397.313 2.783 20 0 GFADRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2S(=O)(=O)c2cc(F)ccc2OC(F)F)C1 ZINC000420686886 563273650 /nfs/dbraw/zinc/27/36/50/563273650.db2.gz CNJNKLLMFCJBHM-AAEUAGOBSA-N 1 0 378.416 2.532 20 0 GFADRO C[N@@H+]1CCC[C@@H]2CN(S(=O)(=O)c3cc(F)ccc3OC(F)F)CC[C@H]21 ZINC000420705060 563276830 /nfs/dbraw/zinc/27/68/30/563276830.db2.gz WICUNAZDOBZNGS-DGCLKSJQSA-N 1 0 378.416 2.532 20 0 GFADRO CN(Cc1cc(Br)ccc1F)C(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000278947189 563277251 /nfs/dbraw/zinc/27/72/51/563277251.db2.gz GUEYBPXPEJPVJS-SNVBAGLBSA-N 1 0 381.249 2.660 20 0 GFADRO C[C@H]([NH2+]C[C@@H]1CCC[C@]12NC(=O)N(C)C2=O)c1ccc(F)cc1Br ZINC000371479518 563278495 /nfs/dbraw/zinc/27/84/95/563278495.db2.gz HOTBHELHOXXPSA-DINDLPBHSA-N 1 0 398.276 2.959 20 0 GFADRO O=C(COc1ccc(F)cc1Br)NCC1CC[NH+](C2CC2)CC1 ZINC000279006027 563279732 /nfs/dbraw/zinc/27/97/32/563279732.db2.gz HBIFYSWTPIVHLW-UHFFFAOYSA-N 1 0 385.277 2.958 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)Cc1cc[nH]c(=O)c1Br)c1cccc(F)c1 ZINC000279028322 563281323 /nfs/dbraw/zinc/28/13/23/563281323.db2.gz JVBWHROFNJVZSE-CQSZACIVSA-N 1 0 396.260 2.650 20 0 GFADRO Cc1ccc(NC(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c(Br)c1 ZINC000371558325 563281403 /nfs/dbraw/zinc/28/14/03/563281403.db2.gz SPRGYWQUECJJLD-HZPDHXFCSA-N 1 0 382.302 2.820 20 0 GFADRO O=C(NCCc1nc2cc(Cl)ccc2s1)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000279080777 563283241 /nfs/dbraw/zinc/28/32/41/563283241.db2.gz VFEHUJVABIWPPK-JTQLQIEISA-N 1 0 375.885 2.722 20 0 GFADRO C[NH+](C)C1CCC(NC(=O)NCCOc2ncc(Cl)cc2Cl)CC1 ZINC000420821543 563287468 /nfs/dbraw/zinc/28/74/68/563287468.db2.gz XZHMNGFLJDEDJI-UHFFFAOYSA-N 1 0 375.300 2.939 20 0 GFADRO O[C@H]1C[C@@H](C[NH+]2CCC(Oc3ccccc3I)CC2)C1 ZINC000420910692 563290203 /nfs/dbraw/zinc/29/02/03/563290203.db2.gz FHGUFUZDEZIZRF-BETUJISGSA-N 1 0 387.261 2.905 20 0 GFADRO COc1cc(C(F)(F)F)cc(S(=O)(=O)N(C)C[C@H]2CCC[N@H+](C)C2)c1 ZINC000296567445 563292817 /nfs/dbraw/zinc/29/28/17/563292817.db2.gz CYOCLUHZHSFPMO-LBPRGKRZSA-N 1 0 380.432 2.676 20 0 GFADRO COC1([C@H](C)[NH2+]C[C@H](O)COc2c(Cl)cccc2Cl)CCOCC1 ZINC000421027222 563293267 /nfs/dbraw/zinc/29/32/67/563293267.db2.gz GLXPBCDGZBJCEW-STQMWFEESA-N 1 0 378.296 2.907 20 0 GFADRO C[C@@H]1CN(CC(=O)Nc2ccc(Br)cc2F)CC[N@@H+](C2CC2)C1 ZINC000296696794 563297153 /nfs/dbraw/zinc/29/71/53/563297153.db2.gz KNGPIPCLAKJIQI-GFCCVEGCSA-N 1 0 384.293 2.943 20 0 GFADRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)Nc1nnc2ccc(Br)cn21 ZINC000296703023 563297418 /nfs/dbraw/zinc/29/74/18/563297418.db2.gz CABOXPNRRWCXNM-WCQYABFASA-N 1 0 393.289 2.582 20 0 GFADRO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]C[C@H](O)c2cc(F)cc(Cl)c2)cc1 ZINC000279494294 563298223 /nfs/dbraw/zinc/29/82/23/563298223.db2.gz MABSBIFAKSACPD-DIFFPNOSSA-N 1 0 386.876 2.771 20 0 GFADRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)NCc1ccc(S(=O)(=O)CC)s1 ZINC000279502535 563298997 /nfs/dbraw/zinc/29/89/97/563298997.db2.gz KFQWISDMGHPXPI-CQSZACIVSA-N 1 0 387.571 2.605 20 0 GFADRO CC(C)[N@H+](C)CC(=O)Nc1cc(Br)cc(C(=O)N2CCCC2)c1 ZINC000279575724 563301374 /nfs/dbraw/zinc/30/13/74/563301374.db2.gz MGSVQJJFAMDCQX-UHFFFAOYSA-N 1 0 382.302 2.964 20 0 GFADRO CN(C(=O)c1cc(Cl)c(N)c(Cl)c1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000372331429 563302655 /nfs/dbraw/zinc/30/26/55/563302655.db2.gz ITQGBOSTXGHYCJ-CQSZACIVSA-N 1 0 385.339 2.816 20 0 GFADRO C[NH+]1CCC2(CCCN2S(=O)(=O)c2ccc3nc(Cl)cnc3c2)CC1 ZINC000372398404 563304567 /nfs/dbraw/zinc/30/45/67/563304567.db2.gz NKBSMGYSBNYXDD-UHFFFAOYSA-N 1 0 380.901 2.532 20 0 GFADRO Cc1cc(Br)cc(NC(=O)C(=O)NC2CCC([NH+](C)C)CC2)c1 ZINC000421287542 563305069 /nfs/dbraw/zinc/30/50/69/563305069.db2.gz JBIKPLPKMRTXTE-UHFFFAOYSA-N 1 0 382.302 2.685 20 0 GFADRO CCn1ccnc1CNC(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000296883345 563306127 /nfs/dbraw/zinc/30/61/27/563306127.db2.gz MJKMWAGMFQLYKB-CQSZACIVSA-N 1 0 392.301 2.744 20 0 GFADRO Cc1ncsc1CCS(=O)(=O)NCc1c(Cl)cccc1-n1ccnc1 ZINC000296875067 563306365 /nfs/dbraw/zinc/30/63/65/563306365.db2.gz CQKLWDFNQFPRKD-UHFFFAOYSA-N 1 0 396.925 2.953 20 0 GFADRO Cc1noc(NC(=O)N(CC[NH+](C)C)Cc2ccc(Br)cc2)n1 ZINC000296891068 563307078 /nfs/dbraw/zinc/30/70/78/563307078.db2.gz RBYOUAPLJZURJO-UHFFFAOYSA-N 1 0 382.262 2.736 20 0 GFADRO CCOC(=O)C1CCC([NH2+][C@H](C(N)=O)c2cccc(Br)c2)CC1 ZINC000279723813 563307545 /nfs/dbraw/zinc/30/75/45/563307545.db2.gz UYAUVLSLWDOPSJ-KWCHVYNWSA-N 1 0 383.286 2.687 20 0 GFADRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)Nc2nc3cc(Br)ccn3n2)C1 ZINC000296924701 563308122 /nfs/dbraw/zinc/30/81/22/563308122.db2.gz CCWSALIGBUIACT-GFCCVEGCSA-N 1 0 395.305 2.591 20 0 GFADRO CN1CCC[C@]2(CC[N@H+](C[C@@H](O)c3ccc(F)c(Br)c3)C2)C1=O ZINC000372549338 563310327 /nfs/dbraw/zinc/31/03/27/563310327.db2.gz YXFYXGDBGZDKTE-NVXWUHKLSA-N 1 0 385.277 2.566 20 0 GFADRO C[C@H](C(=O)Nc1ccc(Br)cc1)[N@@H+]1CC[C@@]2(C1)CCCN(C)C2=O ZINC000372558841 563311381 /nfs/dbraw/zinc/31/13/81/563311381.db2.gz WDTIRUZSPLWMSD-FZKQIMNGSA-N 1 0 394.313 2.720 20 0 GFADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1CNCC1([NH+](C)C)CCC1 ZINC000297002257 563312110 /nfs/dbraw/zinc/31/21/10/563312110.db2.gz WGEYNSCSPTZNCV-CYBMUJFWSA-N 1 0 398.345 2.536 20 0 GFADRO O=C(CCSc1nc2ccccc2s1)N1CCN([C@@H]2CCOC2)CC1 ZINC000372783598 563317381 /nfs/dbraw/zinc/31/73/81/563317381.db2.gz RGIGURNVLLZANV-CQSZACIVSA-N 1 0 377.535 2.712 20 0 GFADRO Cc1nc2ccc(Br)cn2c1C(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000280000162 563318131 /nfs/dbraw/zinc/31/81/31/563318131.db2.gz DECYBHQZNYWKTI-BXUZGUMPSA-N 1 0 379.302 2.817 20 0 GFADRO O=C(CCOc1ccc(Cl)cc1Br)NCC1CC[NH2+]CC1 ZINC000297255721 563321533 /nfs/dbraw/zinc/32/15/33/563321533.db2.gz RDWUMEKIMBYFQO-UHFFFAOYSA-N 1 0 375.694 2.987 20 0 GFADRO C[C@H]([NH2+]CCCC1(O)CCC1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000421851979 563323048 /nfs/dbraw/zinc/32/30/48/563323048.db2.gz GUSJPFDDPGJHNW-JTQLQIEISA-N 1 0 381.325 2.987 20 0 GFADRO COc1cc(Cl)ccc1[C@H](C)[NH2+]C[C@@H]1CCCCN1S(=O)(=O)N(C)C ZINC000421851546 563323263 /nfs/dbraw/zinc/32/32/63/563323263.db2.gz GLHBNEUDLLHPRY-ZFWWWQNUSA-N 1 0 389.949 2.660 20 0 GFADRO CN(C(=O)Nc1nc2cc(Br)ccn2n1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000297353705 563324198 /nfs/dbraw/zinc/32/41/98/563324198.db2.gz QJIYALYJTPXWEE-FUNVUKJBSA-N 1 0 393.289 2.581 20 0 GFADRO NS(=O)(=O)C1CC[NH+](Cc2cccc3c(Br)cccc23)CC1 ZINC000373000750 563324807 /nfs/dbraw/zinc/32/48/07/563324807.db2.gz WMHYYSZVVRVDOI-UHFFFAOYSA-N 1 0 383.311 2.855 20 0 GFADRO C[NH+](C)CCOc1cc(C(=O)N2CCc3c2cccc3Br)ccn1 ZINC000421964741 563326690 /nfs/dbraw/zinc/32/66/90/563326690.db2.gz JEXSTDCLDMRWPQ-UHFFFAOYSA-N 1 0 390.281 2.987 20 0 GFADRO CC[NH+]1CCC(N2CCCN(C(=O)C(=O)c3ccc(Cl)s3)CC2)CC1 ZINC000422009576 563327811 /nfs/dbraw/zinc/32/78/11/563327811.db2.gz BIJUZMWMNXYHEM-UHFFFAOYSA-N 1 0 383.945 2.603 20 0 GFADRO C[NH+](C)CCn1nccc1NC(=O)NCc1ccc(F)cc1Br ZINC000297539100 563329098 /nfs/dbraw/zinc/32/90/98/563329098.db2.gz WLDATJLYOFODNC-UHFFFAOYSA-N 1 0 384.253 2.668 20 0 GFADRO C[C@H](C(=O)Nc1ccc(Br)cc1)[NH+]1CCC2(CCN(C)C2=O)CC1 ZINC000373148537 563329603 /nfs/dbraw/zinc/32/96/03/563329603.db2.gz XGIUYZLHVHFECI-CYBMUJFWSA-N 1 0 394.313 2.720 20 0 GFADRO C[C@@H]1C[N@H+](C[C@@H](O)COc2ccc(Cl)cc2Cl)C[C@@]2(CCOC2)O1 ZINC000280271491 563329707 /nfs/dbraw/zinc/32/97/07/563329707.db2.gz CTNHJFKVFZJPCG-SUYBPPKGSA-N 1 0 376.280 2.613 20 0 GFADRO CCOc1cc(CN2CC[C@H](NC(=O)NC3CC3)C2)cc(Br)c1O ZINC000297592495 563330113 /nfs/dbraw/zinc/33/01/13/563330113.db2.gz JJIFXZCETFHREA-ZDUSSCGKSA-N 1 0 398.301 2.589 20 0 GFADRO C[C@@H]1CCN(C(=O)NCc2c(Cl)cccc2-n2ccnc2)CC[S@@]1=O ZINC000297591506 563330385 /nfs/dbraw/zinc/33/03/85/563330385.db2.gz MSTIZNWQJHORRC-SHZVTRLKSA-N 1 0 380.901 2.578 20 0 GFADRO C[C@H](NC(=O)N[C@@H]1CCC[N@H+](CCCO)C1)c1ccc(Br)cc1 ZINC000297644523 563331727 /nfs/dbraw/zinc/33/17/27/563331727.db2.gz IAYHQMPRSRJVBW-XJKSGUPXSA-N 1 0 384.318 2.656 20 0 GFADRO C[NH+]1CCC(n2ccc(NC(=O)Cc3ccc(F)c(Br)c3)n2)CC1 ZINC000373234356 563332614 /nfs/dbraw/zinc/33/26/14/563332614.db2.gz VRUCHDCVULYRDP-UHFFFAOYSA-N 1 0 395.276 3.233 20 0 GFADRO C[NH+]1CCC(n2ccc(NC(=O)c3c(F)cccc3Br)n2)CC1 ZINC000373292707 563334114 /nfs/dbraw/zinc/33/41/14/563334114.db2.gz QFFUJKVFEQMPBA-UHFFFAOYSA-N 1 0 381.249 3.304 20 0 GFADRO Cc1ccc(F)c(C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)c1Br ZINC000373314929 563334786 /nfs/dbraw/zinc/33/47/86/563334786.db2.gz AZVKWZRFICJJHV-CYBMUJFWSA-N 1 0 385.277 2.880 20 0 GFADRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NCCc2c(Cl)cccc2Cl)C1 ZINC000422262680 563334952 /nfs/dbraw/zinc/33/49/52/563334952.db2.gz HBKMIAKPSZRMAO-CYBMUJFWSA-N 1 0 386.323 2.593 20 0 GFADRO C[C@H](NC(=O)C(=O)NC1CCC([NH+](C)C)CC1)c1ccc(Br)cc1 ZINC000422272916 563335582 /nfs/dbraw/zinc/33/55/82/563335582.db2.gz UDXAIKBFDFRIPQ-JQRITLKVSA-N 1 0 396.329 2.615 20 0 GFADRO C[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000422283837 563336224 /nfs/dbraw/zinc/33/62/24/563336224.db2.gz NYPKIQHXONUHPC-WFASDCNBSA-N 1 0 386.323 2.593 20 0 GFADRO Cc1ccc(F)c(NC(=O)C(=O)N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)c1Br ZINC000280437829 563337431 /nfs/dbraw/zinc/33/74/31/563337431.db2.gz UYRVXAHROWKIKW-QWRGUYRKSA-N 1 0 398.276 2.577 20 0 GFADRO OCC1([NH2+]Cc2ccc(I)cc2Cl)CCOCC1 ZINC000280450210 563337940 /nfs/dbraw/zinc/33/79/40/563337940.db2.gz KTWHHCWWZAAYEV-UHFFFAOYSA-N 1 0 381.641 2.576 20 0 GFADRO CC[N@@H+]1CC[C@H](NC(=O)C(=O)NCc2sc3ccc(Cl)cc3c2C)C1 ZINC000422432729 563339579 /nfs/dbraw/zinc/33/95/79/563339579.db2.gz NBHLMYVRMHZKIM-ZDUSSCGKSA-N 1 0 379.913 2.690 20 0 GFADRO CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N(C)Cc2ccc(Cl)c(Cl)c2)C1 ZINC000297928669 563340380 /nfs/dbraw/zinc/34/03/80/563340380.db2.gz UOBXXXSPJAADKG-CQSZACIVSA-N 1 0 386.323 2.752 20 0 GFADRO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000422490812 563341066 /nfs/dbraw/zinc/34/10/66/563341066.db2.gz SELVOWRTPNHMDD-ZDUSSCGKSA-N 1 0 386.323 2.800 20 0 GFADRO [NH3+]CC[C@H]1CN(S(=O)(=O)c2c(Cl)nc3ccccn32)c2ccccc21 ZINC000373532887 563341303 /nfs/dbraw/zinc/34/13/03/563341303.db2.gz VJZYLVZUXJPXAZ-LBPRGKRZSA-N 1 0 376.869 2.629 20 0 GFADRO [NH3+]CC[C@H]1CN(S(=O)(=O)c2c[nH]c3nccc(Cl)c23)c2ccccc21 ZINC000373528934 563341792 /nfs/dbraw/zinc/34/17/92/563341792.db2.gz LKKVZJVTSSSQDG-NSHDSACASA-N 1 0 376.869 2.858 20 0 GFADRO CCC[C@H](CCO)C[NH2+][C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000280541766 563342660 /nfs/dbraw/zinc/34/26/60/563342660.db2.gz HZYCEMZMNXFDQW-NWDGAFQWSA-N 1 0 393.347 2.546 20 0 GFADRO C[C@@H]1C[C@H](C)N(S(=O)(=O)c2cc(F)c(Br)cc2F)C[C@H]1C[NH3+] ZINC000422553771 563342935 /nfs/dbraw/zinc/34/29/35/563342935.db2.gz KOFMBGIROAREOM-KXUCPTDWSA-N 1 0 397.285 2.721 20 0 GFADRO COc1cc(C(F)(F)F)cc(S(=O)(=O)N2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)c1 ZINC000422556797 563343460 /nfs/dbraw/zinc/34/34/60/563343460.db2.gz UOANORAUGIFQFN-TUAOUCFPSA-N 1 0 380.432 2.708 20 0 GFADRO C[C@@H](NC(=O)NC(C)(C)CC[NH3+])c1cc2c(cc1Br)OCCO2 ZINC000422593086 563344743 /nfs/dbraw/zinc/34/47/43/563344743.db2.gz FWOXBVDRDDXGIC-SNVBAGLBSA-N 1 0 386.290 2.708 20 0 GFADRO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)c1c(Br)cnn1C ZINC000298098651 563344922 /nfs/dbraw/zinc/34/49/22/563344922.db2.gz NRZSTLVPQUSHDY-CJNGLKHVSA-N 1 0 389.297 2.939 20 0 GFADRO [NH3+]C[C@@H]1Cc2ccccc2N1C(=O)c1cc(Br)c2c(c1)OCCO2 ZINC000422625937 563345497 /nfs/dbraw/zinc/34/54/97/563345497.db2.gz IHMOQWHBVGPULL-ZDUSSCGKSA-N 1 0 389.249 2.751 20 0 GFADRO CCOc1cc(C[NH2+]CC2(N3CCOCC3)CC2)cc(Br)c1O ZINC000298175513 563346966 /nfs/dbraw/zinc/34/69/66/563346966.db2.gz UWZXVCPMEZFBNC-UHFFFAOYSA-N 1 0 385.302 2.508 20 0 GFADRO C[C@H]1CC[NH2+]C[C@@H]1NCC(C)(C)S(=O)(=O)c1ccc(Br)cc1 ZINC000422772520 563349201 /nfs/dbraw/zinc/34/92/01/563349201.db2.gz ZFMCHGFTZNCCGS-WFASDCNBSA-N 1 0 389.359 2.589 20 0 GFADRO CCOc1cc(C[NH2+]C2CCC(C(=O)NC)CC2)cc(Br)c1O ZINC000298272153 563349669 /nfs/dbraw/zinc/34/96/69/563349669.db2.gz GKJXPORIJYCKCY-UHFFFAOYSA-N 1 0 385.302 2.948 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)[C@@H](C(C)C)[C@H](C)[NH3+] ZINC000422930644 563350834 /nfs/dbraw/zinc/35/08/34/563350834.db2.gz VIUFGEJUVLDFLJ-LRDDRELGSA-N 1 0 384.318 2.774 20 0 GFADRO Cn1nc(Br)cc1C(=O)NC[C@H]1CC[N@H+](C)[C@H]1c1cccs1 ZINC000373794907 563351387 /nfs/dbraw/zinc/35/13/87/563351387.db2.gz KAKYCCPOPNRXNL-QMTHXVAHSA-N 1 0 383.315 2.667 20 0 GFADRO [NH3+][C@H](CC1CCCCC1)C(=O)NCC(=O)Nc1ccc(Br)cc1 ZINC000423055984 563354012 /nfs/dbraw/zinc/35/40/12/563354012.db2.gz XJWSLQZHPVRYNJ-OAHLLOKOSA-N 1 0 382.302 2.802 20 0 GFADRO COc1ccc([C@@H](NCc2ccc(S(C)(=O)=O)s2)[C@H]2CCC[NH2+]2)cc1 ZINC000423071079 563354173 /nfs/dbraw/zinc/35/41/73/563354173.db2.gz NZSDEYSIMHZGHE-SJLPKXTDSA-N 1 0 380.535 2.743 20 0 GFADRO C[NH2+]CCC1CCN(C(=O)C(=O)N(C)Cc2c(Cl)cccc2Cl)CC1 ZINC000423094387 563354565 /nfs/dbraw/zinc/35/45/65/563354565.db2.gz BPHQKESEEDZXNO-UHFFFAOYSA-N 1 0 386.323 2.800 20 0 GFADRO C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)C(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000423085780 563354763 /nfs/dbraw/zinc/35/47/63/563354763.db2.gz KNIYQSMLYAYFOU-JHJVBQTASA-N 1 0 386.323 2.956 20 0 GFADRO C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000423080456 563354884 /nfs/dbraw/zinc/35/48/84/563354884.db2.gz BPWUMWGTRHTFBK-UPJWGTAASA-N 1 0 384.307 2.581 20 0 GFADRO C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000423085982 563354970 /nfs/dbraw/zinc/35/49/70/563354970.db2.gz LCKFLXAXMYGEAZ-WQGACYEGSA-N 1 0 384.307 2.723 20 0 GFADRO Cc1ccc([C@H]([NH2+]CCOCC(F)(F)C(F)F)[C@@H](C)S(C)(=O)=O)cc1 ZINC000280809137 563355405 /nfs/dbraw/zinc/35/54/05/563355405.db2.gz LSZDZWACLJRDSH-TZMCWYRMSA-N 1 0 385.423 2.976 20 0 GFADRO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N(C)[C@H](C)c2ccc(Cl)c(Cl)c2)C1 ZINC000423116981 563355889 /nfs/dbraw/zinc/35/58/89/563355889.db2.gz SHXQKYOUBQBFCM-OLZOCXBDSA-N 1 0 386.323 2.971 20 0 GFADRO C[C@H]([NH2+]C[C@@H](CO)Cc1ccc(F)c(Br)c1)c1cnccc1N ZINC000423156073 563356842 /nfs/dbraw/zinc/35/68/42/563356842.db2.gz LZXMQYMSUJFAGW-AAEUAGOBSA-N 1 0 382.277 2.898 20 0 GFADRO CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000423195012 563358657 /nfs/dbraw/zinc/35/86/57/563358657.db2.gz XDRBEZKVKORBIR-TZMCWYRMSA-N 1 0 386.323 2.928 20 0 GFADRO CCC([NH3+])(CC)CN[C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000423289520 563359399 /nfs/dbraw/zinc/35/93/99/563359399.db2.gz XHQPESQEIUYLNC-CYBMUJFWSA-N 1 0 375.332 2.775 20 0 GFADRO COC[C@]1(C(=O)NCCOc2c(Cl)cc(Cl)cc2Cl)CC[NH2+]C1 ZINC000423285351 563359416 /nfs/dbraw/zinc/35/94/16/563359416.db2.gz ZKMDZDBDDRNNEJ-HNNXBMFYSA-N 1 0 381.687 2.768 20 0 GFADRO C[C@H](NC[C@H]([NH3+])c1ccccc1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000423248374 563359482 /nfs/dbraw/zinc/35/94/82/563359482.db2.gz NEHDUJMJRHRLJJ-BONVTDFDSA-N 1 0 388.320 2.991 20 0 GFADRO CC[C@H]([NH2+]CCNc1ccccn1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000280886109 563359492 /nfs/dbraw/zinc/35/94/92/563359492.db2.gz OSTRNASSLJMKLD-HNNXBMFYSA-N 1 0 382.917 2.796 20 0 GFADRO Cc1[nH]c(=O)c(C(=O)N2CCCC3(CC[NH+](C)CC3)C2)cc1Br ZINC000374058779 563359752 /nfs/dbraw/zinc/35/97/52/563359752.db2.gz WUEBZWMCNHOFOD-UHFFFAOYSA-N 1 0 382.302 2.806 20 0 GFADRO CCc1ccccc1[C@H](N)C[NH2+][C@@H](C)Cn1cc(Br)ccc1=O ZINC000423508411 563360982 /nfs/dbraw/zinc/36/09/82/563360982.db2.gz QRKKCESQMXLJPE-SUMWQHHRSA-N 1 0 378.314 2.851 20 0 GFADRO C[NH2+]C[C@H]1CCN(C(=O)C(=O)N2CCc3cc(Cl)cc(Cl)c3[C@@H]2C)C1 ZINC000423547376 563362143 /nfs/dbraw/zinc/36/21/43/563362143.db2.gz GBCCOWATCNVGMB-NWDGAFQWSA-N 1 0 384.307 2.507 20 0 GFADRO O=C(C(=O)N1CCC[NH2+]CC1)N1CCC(c2cccc(Cl)c2Cl)CC1 ZINC000423605868 563362177 /nfs/dbraw/zinc/36/21/77/563362177.db2.gz HQRFCRKSFSYJAI-UHFFFAOYSA-N 1 0 384.307 2.521 20 0 GFADRO Cc1nc2cc(Cl)c(NC(=O)C(=O)N3CCC4(CC[NH2+]4)CC3)cc2s1 ZINC000423569707 563362191 /nfs/dbraw/zinc/36/21/91/563362191.db2.gz SIVKBPHASBMMEH-UHFFFAOYSA-N 1 0 378.885 2.551 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)N1CCCN(CC(F)(F)F)CC1)c1ccsc1 ZINC000298673678 563363119 /nfs/dbraw/zinc/36/31/19/563363119.db2.gz UXOFKQIMFQABNE-CQSZACIVSA-N 1 0 378.464 2.630 20 0 GFADRO COC[C@@]1(C(=O)N[C@H]2CCCN(c3ccc(Cl)cc3Cl)C2)CC[NH2+]C1 ZINC000423822902 563363534 /nfs/dbraw/zinc/36/35/34/563363534.db2.gz JFCQFZLIGGNMSW-KBXCAEBGSA-N 1 0 386.323 2.705 20 0 GFADRO [NH3+]CC[C@@H](NC(=O)CNC(=O)c1sc2ccccc2c1Cl)C(F)(F)F ZINC000423733768 563363603 /nfs/dbraw/zinc/36/36/03/563363603.db2.gz OBNHYSSMYWTAHU-SNVBAGLBSA-N 1 0 393.818 2.680 20 0 GFADRO O=S(=O)(N[C@H]1CCC[NH2+]CC1)c1c(Cl)cc(F)cc1Br ZINC000374185523 563364691 /nfs/dbraw/zinc/36/46/91/563364691.db2.gz DHEAGBFNYINAIF-VIFPVBQESA-N 1 0 385.686 2.662 20 0 GFADRO Cc1ccc(NC(=O)[C@@H](C)[NH2+]C[C@H]2CN(C3CC3)CCO2)c(Br)c1 ZINC000374222122 563365183 /nfs/dbraw/zinc/36/51/83/563365183.db2.gz HTRHFPGUXLJPQT-HIFRSBDPSA-N 1 0 396.329 2.537 20 0 GFADRO COc1ccc(Br)cc1C(=O)CCC(=O)N[C@H](C[NH3+])C(C)(C)C ZINC000423948156 563365151 /nfs/dbraw/zinc/36/51/51/563365151.db2.gz KPCCJHSSYCAZPJ-OAHLLOKOSA-N 1 0 385.302 2.910 20 0 GFADRO CC(=O)N[C@H](CC(=O)N[C@H](C[NH3+])C(C)(C)C)c1ccc(Br)cc1 ZINC000423952921 563365841 /nfs/dbraw/zinc/36/58/41/563365841.db2.gz LNABNJINZHGXQG-HUUCEWRRSA-N 1 0 384.318 2.506 20 0 GFADRO C[C@@H]1CN(C(=O)c2cn(-c3ccc(Br)cc3)cn2)C[C@@]1(C)C[NH3+] ZINC000423974325 563366350 /nfs/dbraw/zinc/36/63/50/563366350.db2.gz HWHZFAGWBWAOSW-SJKOYZFVSA-N 1 0 377.286 2.692 20 0 GFADRO C[C@H]1CCN(C(=O)c2ccn(-c3cccc(Br)c3)n2)C[C@@H]1C[NH3+] ZINC000424010866 563366979 /nfs/dbraw/zinc/36/69/79/563366979.db2.gz ISVZDGWOLSYZOG-STQMWFEESA-N 1 0 377.286 2.692 20 0 GFADRO C[C@@H]1CN(C(=O)c2csc(Br)c2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000374288505 563367468 /nfs/dbraw/zinc/36/74/68/563367468.db2.gz PWWDFDCFTVJMAA-OCCSQVGLSA-N 1 0 386.359 2.609 20 0 GFADRO Cc1cc(C(=O)N2CCCO[C@@H](C[NH3+])C2)nn1-c1ccc(Cl)c(Cl)c1 ZINC000424028297 563367894 /nfs/dbraw/zinc/36/78/94/563367894.db2.gz WVGVVBQHFRMILE-ZDUSSCGKSA-N 1 0 383.279 2.677 20 0 GFADRO Cc1cc(C)c(Br)c(C(=O)N2CCC[C@H](n3cc(C[NH3+])nn3)C2)c1 ZINC000424027694 563367942 /nfs/dbraw/zinc/36/79/42/563367942.db2.gz YLNPIGDALDGWJY-AWEZNQCLSA-N 1 0 392.301 2.593 20 0 GFADRO C[C@H]([NH2+][C@H](CO)CC1CCC1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000281214142 563369642 /nfs/dbraw/zinc/36/96/42/563369642.db2.gz SVNJBVCONLVLJV-ONGXEEELSA-N 1 0 381.325 2.843 20 0 GFADRO C[C@@H]([NH2+][C@H](C)c1ccc(Br)cn1)c1ccc(S(N)(=O)=O)cc1 ZINC000281232137 563370575 /nfs/dbraw/zinc/37/05/75/563370575.db2.gz UTVYJTSJIGRYHS-GHMZBOCLSA-N 1 0 384.299 2.903 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2CC(=O)Nc1ccccc1Br ZINC000374429077 563371752 /nfs/dbraw/zinc/37/17/52/563371752.db2.gz NYSTVITUYWJPDJ-COXVUDFISA-N 1 0 396.329 2.571 20 0 GFADRO COc1cc(C)c(Br)cc1NC(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000424174469 563372106 /nfs/dbraw/zinc/37/21/06/563372106.db2.gz PEIJKBVBKDOPAH-LLVKDONJSA-N 1 0 394.273 2.534 20 0 GFADRO CS(=O)(=O)CCCC[NH2+]Cc1cc(Br)ccc1OC(F)F ZINC000424173125 563372149 /nfs/dbraw/zinc/37/21/49/563372149.db2.gz PCKYDVDPSJWUIN-UHFFFAOYSA-N 1 0 386.258 2.965 20 0 GFADRO CN1CC[C@H](C[NH2+]Cc2cc(Br)c3c(c2)OCCCO3)CC1=O ZINC000424188016 563372381 /nfs/dbraw/zinc/37/23/81/563372381.db2.gz KAEARNJWQXDODA-LBPRGKRZSA-N 1 0 383.286 2.568 20 0 GFADRO O=C1N[C@H]2CC[N@@H+](Cc3cc(Br)cc4cccnc43)C[C@@H]2CO1 ZINC000281289815 563372827 /nfs/dbraw/zinc/37/28/27/563372827.db2.gz JDLPIYBQSXPFDA-HIFRSBDPSA-N 1 0 376.254 2.928 20 0 GFADRO COc1ccc(CCC(=O)N2CCC3(C2)CC[NH2+]CC3)cc1Br ZINC000374505434 563374447 /nfs/dbraw/zinc/37/44/47/563374447.db2.gz LRXSPACUVNOESS-UHFFFAOYSA-N 1 0 381.314 2.992 20 0 GFADRO [NH3+]C1(c2noc(CNC(=O)c3cccc(Br)c3)n2)CCCCC1 ZINC000424341323 563376096 /nfs/dbraw/zinc/37/60/96/563376096.db2.gz UXEQSIUAODNVDF-UHFFFAOYSA-N 1 0 379.258 2.880 20 0 GFADRO C[C@@H](C[S@](C)=O)[N@H+](C)CCC(=O)Nc1ccc(Br)cc1F ZINC000299155028 563376410 /nfs/dbraw/zinc/37/64/10/563376410.db2.gz XDOZGUVYVLNDPR-CWKPULSASA-N 1 0 379.295 2.616 20 0 GFADRO O=C(CN1CCC(Cn2cc(Br)cn2)CC1)NCc1cccs1 ZINC000374648357 563378683 /nfs/dbraw/zinc/37/86/83/563378683.db2.gz PZRSXBMQUJBLNV-UHFFFAOYSA-N 1 0 397.342 2.736 20 0 GFADRO Cc1cn2c(n1)CN(C(=O)[C@@H](C)NC(=O)c1cccc(Cl)c1Cl)CC2 ZINC000374678057 563379259 /nfs/dbraw/zinc/37/92/59/563379259.db2.gz KPTIBLJIVLAORQ-LLVKDONJSA-N 1 0 381.263 2.659 20 0 GFADRO C[NH2+]C[C@H](C)CNC(=O)NCc1cc(Cl)cc(I)c1 ZINC000424476182 563380299 /nfs/dbraw/zinc/38/02/99/563380299.db2.gz KJUODFMPEJQDIV-VIFPVBQESA-N 1 0 395.672 2.599 20 0 GFADRO COc1ncc(C(=O)NCc2ccccc2C[NH+](C)C)cc1Br ZINC000424548065 563380758 /nfs/dbraw/zinc/38/07/58/563380758.db2.gz VLABTVIZZHJLFL-UHFFFAOYSA-N 1 0 378.270 2.844 20 0 GFADRO C[C@H]([NH2+]CCC(=O)NC(N)=O)c1nc(-c2ccc(Br)cc2)cs1 ZINC000299285130 563380961 /nfs/dbraw/zinc/38/09/61/563380961.db2.gz LXALCRQADTWXBR-VIFPVBQESA-N 1 0 397.298 2.808 20 0 GFADRO C[NH+](C)CC1(NC(=O)CNC(=O)c2sc3ccccc3c2Cl)CCC1 ZINC000281668573 563382426 /nfs/dbraw/zinc/38/24/26/563382426.db2.gz JPHJOLOIWNOBQQ-UHFFFAOYSA-N 1 0 379.913 2.885 20 0 GFADRO NC(=O)[C@@H]1CCCC[C@H]1[NH2+]CCC(=O)Nc1ccc(Br)cc1F ZINC000299439876 563383556 /nfs/dbraw/zinc/38/35/56/563383556.db2.gz VTXCLVHGEIEDFQ-DGCLKSJQSA-N 1 0 386.265 2.551 20 0 GFADRO Cc1cc(Br)cn2c(CN3CCC[C@@H]3C(=O)NC3CC3)cnc12 ZINC000374946089 563386220 /nfs/dbraw/zinc/38/62/20/563386220.db2.gz NOAXTQPAWHDBRG-OAHLLOKOSA-N 1 0 377.286 2.648 20 0 GFADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1cc(Cl)cc(F)c1Br ZINC000375046278 563388603 /nfs/dbraw/zinc/38/86/03/563388603.db2.gz IRUGFJDFJADWGQ-WDEREUQCSA-N 1 0 391.668 2.835 20 0 GFADRO C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1[NH2+]CCS(=O)(=O)C(C)(C)C ZINC000375075837 563389716 /nfs/dbraw/zinc/38/97/16/563389716.db2.gz VGBKXCCRDDDERJ-HUUCEWRRSA-N 1 0 376.563 2.825 20 0 GFADRO C[S@](=O)C1(CNC(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)CCC1 ZINC000281947440 563391016 /nfs/dbraw/zinc/39/10/16/563391016.db2.gz XTEAQOCYSPAHTR-BZQUYTCOSA-N 1 0 383.583 2.561 20 0 GFADRO C[N@@H+]1CC[C@@]2(CCN(C(=O)Cc3noc4ccc(Br)cc43)C2)C1 ZINC000424854041 563394972 /nfs/dbraw/zinc/39/49/72/563394972.db2.gz WMEZJFVRGGRPPR-QGZVFWFLSA-N 1 0 378.270 2.687 20 0 GFADRO COCC(C)(C)[NH+]1CCN(C(=O)Cc2cc(OC)ccc2Br)CC1 ZINC000424991203 563399871 /nfs/dbraw/zinc/39/98/71/563399871.db2.gz NHMQIQYHZMQDOX-UHFFFAOYSA-N 1 0 399.329 2.569 20 0 GFADRO COCC(C)(C)[NH+]1CCN(C(=O)Cc2ccc(Br)c(F)c2)CC1 ZINC000424990974 563400003 /nfs/dbraw/zinc/40/00/03/563400003.db2.gz MVFSIROLRHZIJY-UHFFFAOYSA-N 1 0 387.293 2.700 20 0 GFADRO COc1cc(C[N@@H+]2C[C@@H](C(N)=O)[C@H](C(F)(F)F)C2)c(SC)cc1OC ZINC000375383385 563402656 /nfs/dbraw/zinc/40/26/56/563402656.db2.gz BGNKDIBYPZWSHQ-GHMZBOCLSA-N 1 0 378.416 2.521 20 0 GFADRO CN(CC[NH+](C)C)c1ccc(Br)cc1NC(=O)[C@@H]1CCC[C@@H](O)C1 ZINC000425098983 563404280 /nfs/dbraw/zinc/40/42/80/563404280.db2.gz NIWFDCIYUSSVGG-UKRRQHHQSA-N 1 0 398.345 2.937 20 0 GFADRO CN(CC[NH+](C)C)c1ccc(Br)cc1NC(=O)C1CCOCC1 ZINC000425100434 563404391 /nfs/dbraw/zinc/40/43/91/563404391.db2.gz UPYHNXGHPYIXNS-UHFFFAOYSA-N 1 0 384.318 2.812 20 0 GFADRO CCc1cnc(NC(=O)C(=O)NC[C@@H]2CC[N@H+](C)[C@H]2c2cccs2)s1 ZINC000375439205 563404883 /nfs/dbraw/zinc/40/48/83/563404883.db2.gz ULCPTBUMYHXUDX-SMDDNHRTSA-N 1 0 378.523 2.515 20 0 GFADRO NC(=O)[C@@H](c1cccc(Br)c1)N1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000375465272 563405668 /nfs/dbraw/zinc/40/56/68/563405668.db2.gz MZJWOMVXRLKWOL-GXTWGEPZSA-N 1 0 391.269 2.725 20 0 GFADRO C[C@@H]1C[N@H+](CCCNC(=O)c2cc(Br)cc3[nH]cnc32)CCCO1 ZINC000282392442 563409399 /nfs/dbraw/zinc/40/93/99/563409399.db2.gz ZMHBTVQOPDRGSH-GFCCVEGCSA-N 1 0 395.301 2.556 20 0 GFADRO Cn1ncc(N(CC[NH+](C)C)Cc2ccc(Br)cc2)c(Cl)c1=O ZINC000301669951 563409618 /nfs/dbraw/zinc/40/96/18/563409618.db2.gz YJAWKDDHGUYCJD-UHFFFAOYSA-N 1 0 399.720 2.764 20 0 GFADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3cc(Br)cc4nc[nH]c43)CC[C@H]21 ZINC000282508979 563414095 /nfs/dbraw/zinc/41/40/95/563414095.db2.gz OPFLXNWXZBVMSH-IAQYHMDHSA-N 1 0 377.286 2.882 20 0 GFADRO O=C1NC(=O)C2(CCC([NH2+]Cc3cc(Br)c(Cl)s3)CC2)N1 ZINC000375746230 563416597 /nfs/dbraw/zinc/41/65/97/563416597.db2.gz XYVHMEKMDHYAER-UHFFFAOYSA-N 1 0 392.706 2.774 20 0 GFADRO Ic1cnc(C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)s1 ZINC000375759039 563416714 /nfs/dbraw/zinc/41/67/14/563416714.db2.gz PVCQTNIZAOTWFE-GGZOMVNGSA-N 1 0 376.263 2.795 20 0 GFADRO COC(=O)c1sc(N2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)nc1Cl ZINC000301969143 563417394 /nfs/dbraw/zinc/41/73/94/563417394.db2.gz ZVRGVMUSNOAKFO-TXEJJXNPSA-N 1 0 387.933 2.909 20 0 GFADRO Cc1ccc(C(=O)NC2CC[NH+]([C@@H]3CCN(C)C3=O)CC2)c(Cl)c1Cl ZINC000425311298 563417897 /nfs/dbraw/zinc/41/78/97/563417897.db2.gz OZHLIKNUYVQAOJ-CQSZACIVSA-N 1 0 384.307 2.727 20 0 GFADRO C[C@@H](CNc1cc(-n2cccn2)nc(N)[nH+]1)Oc1ccccc1Br ZINC000301982692 563418120 /nfs/dbraw/zinc/41/81/20/563418120.db2.gz RATQVWSHSAIXRT-NSHDSACASA-N 1 0 389.257 2.886 20 0 GFADRO COC(=O)c1cnc([C@@H](C)[NH2+]C[C@H](C)c2ccc(S(C)(=O)=O)cc2)s1 ZINC000425349126 563418883 /nfs/dbraw/zinc/41/88/83/563418883.db2.gz FWMFBRQLKBPJMY-NWDGAFQWSA-N 1 0 382.507 2.788 20 0 GFADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)c1cccc(=O)[nH]1 ZINC000282651615 563419210 /nfs/dbraw/zinc/41/92/10/563419210.db2.gz MNPSABIDNJEGPQ-UHFFFAOYSA-N 1 0 378.270 2.754 20 0 GFADRO CCCS(=O)(=O)CC[NH2+][C@@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1 ZINC000375853171 563421389 /nfs/dbraw/zinc/42/13/89/563421389.db2.gz PHBWGOIMHYZEFG-MRXNPFEDSA-N 1 0 379.444 2.821 20 0 GFADRO CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cncc(Br)c1 ZINC000302400428 563424142 /nfs/dbraw/zinc/42/41/42/563424142.db2.gz DSZDKWCHRPJSOO-GOSISDBHSA-N 1 0 376.298 2.917 20 0 GFADRO CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc(Br)cn1 ZINC000302456724 563425164 /nfs/dbraw/zinc/42/51/64/563425164.db2.gz QKSVGXSJDIJSEM-GOSISDBHSA-N 1 0 376.298 2.917 20 0 GFADRO C[N@@H+]1C[C@@H]2CCCN(C(=O)Nc3ccc(I)cc3)[C@@H]2C1 ZINC000425622475 563428762 /nfs/dbraw/zinc/42/87/62/563428762.db2.gz NJTOWNSMRNJPKT-SMDDNHRTSA-N 1 0 385.249 2.849 20 0 GFADRO C[C@@H](NC(=O)C[NH2+][C@H]1CCC(=O)NC12CCC2)c1ccc(Cl)c(Cl)c1 ZINC000282894331 563429009 /nfs/dbraw/zinc/42/90/09/563429009.db2.gz WJDOQSIMBDZVOS-ABAIWWIYSA-N 1 0 384.307 2.962 20 0 GFADRO Cc1nccn1CCCNC(=O)C(=O)Nc1cccc(Br)c1Cl ZINC000283001406 563432608 /nfs/dbraw/zinc/43/26/08/563432608.db2.gz RDDGJKNIXNDOIC-UHFFFAOYSA-N 1 0 399.676 2.752 20 0 GFADRO CC(C)CNC(=O)NC(=O)[C@@H](C)[N@H+](C)CCc1ccc(Br)cc1 ZINC000303355289 563433244 /nfs/dbraw/zinc/43/32/44/563433244.db2.gz ZHBLOXSOKOTUIR-CYBMUJFWSA-N 1 0 384.318 2.794 20 0 GFADRO CCc1nc(CN2CCCN(c3nnc(-c4ccon4)s3)CC2)cs1 ZINC000376220100 563433690 /nfs/dbraw/zinc/43/36/90/563433690.db2.gz IAKCYPYKJATOGQ-UHFFFAOYSA-N 1 0 376.511 2.924 20 0 GFADRO CCN(CCC[NH+](C)C)C(=O)C(=O)Nc1cc(Cl)ccc1OC(F)F ZINC000425757413 563435740 /nfs/dbraw/zinc/43/57/40/563435740.db2.gz PIDXCYBSHPHRIL-UHFFFAOYSA-N 1 0 377.819 2.680 20 0 GFADRO C[C@@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccc(Cl)s1)C1=CC[N@H+](C)CC1 ZINC000376283305 563436090 /nfs/dbraw/zinc/43/60/90/563436090.db2.gz UNIJHXOUIOIZLN-OCCSQVGLSA-N 1 0 381.929 2.773 20 0 GFADRO COc1cc(Br)c(CNC(=O)C[C@H]2CCC[NH2+]CC2)cc1OC ZINC000376335475 563437933 /nfs/dbraw/zinc/43/79/33/563437933.db2.gz SQYQBWSOXMHZAM-LBPRGKRZSA-N 1 0 385.302 2.862 20 0 GFADRO CCOc1ccc(Br)cc1S(=O)(=O)N1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000315748469 563440930 /nfs/dbraw/zinc/44/09/30/563440930.db2.gz GEIZVGALSHOERN-DGCLKSJQSA-N 1 0 391.331 2.596 20 0 GFADRO O=S(=O)(c1ccc(Br)cc1F)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000317485637 563442408 /nfs/dbraw/zinc/44/24/08/563442408.db2.gz DLQJHGNYYKTMPX-CYBMUJFWSA-N 1 0 391.306 2.837 20 0 GFADRO C[NH+](C)C[C@@](C)(O)CNC(=O)N[C@@H]1c2cccc(Br)c2CC1(C)C ZINC000426087457 563443255 /nfs/dbraw/zinc/44/32/55/563443255.db2.gz XLABYTJVSWDXGU-QAPCUYQASA-N 1 0 398.345 2.684 20 0 GFADRO O[C@H](C[NH2+]C[C@@H]1Cc2ccccc2O1)COc1cccc(Br)c1 ZINC000320580138 563447056 /nfs/dbraw/zinc/44/70/56/563447056.db2.gz AKXNPUREXGMIDK-WBVHZDCISA-N 1 0 378.266 2.782 20 0 GFADRO [NH3+]C[C@H]1CCCC[C@]12NC(=O)N(Cc1cc(F)cc(Br)c1)C2=O ZINC000321356977 563447761 /nfs/dbraw/zinc/44/77/61/563447761.db2.gz XXUBVBUYBIXZNA-BZNIZROVSA-N 1 0 384.249 2.528 20 0 GFADRO COC(=O)c1ccc(C[NH2+][C@@H](CO)Cc2ccccc2)c(Br)c1 ZINC000323231003 563450862 /nfs/dbraw/zinc/45/08/62/563450862.db2.gz XWWUCVZZGYJKNG-MRXNPFEDSA-N 1 0 378.266 2.929 20 0 GFADRO O=c1cc(CN2CCCC[C@@H]2[C@H]2CCC[NH2+]2)nc2ccc(Br)cn12 ZINC000324817566 563452864 /nfs/dbraw/zinc/45/28/64/563452864.db2.gz VDUIETRNWLTABD-HZPDHXFCSA-N 1 0 391.313 2.564 20 0 GFADRO CN(CC(C)(C)C[NH3+])C(=O)[C@H]1CCCN(c2ccc(Br)cn2)C1 ZINC000376789792 563454915 /nfs/dbraw/zinc/45/49/15/563454915.db2.gz MGMBQRZVRDMPOZ-ZDUSSCGKSA-N 1 0 383.334 2.504 20 0 GFADRO O[C@H](C[NH2+][C@H]1COc2ccccc2C1)COc1ccc(Br)cc1 ZINC000328219538 563460897 /nfs/dbraw/zinc/46/08/97/563460897.db2.gz LBOYRFLZKQERLX-HZPDHXFCSA-N 1 0 378.266 2.782 20 0 GFADRO Cc1csc(-c2cccc(S(=O)(=O)N[C@H]3C[N@H+](C4CC4)C[C@H]3C)c2)n1 ZINC000328676773 563463205 /nfs/dbraw/zinc/46/32/05/563463205.db2.gz RVZLGHFSBHGYQH-PXAZEXFGSA-N 1 0 377.535 2.880 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1cc(Br)cnc1OCC1CC1 ZINC000328975162 563469563 /nfs/dbraw/zinc/46/95/63/563469563.db2.gz BGUZETMNZYSSLT-HZPDHXFCSA-N 1 0 394.313 2.990 20 0 GFADRO COc1ncc([C@@H](C)[NH2+]Cc2ccc(S(=O)(=O)N(C)C)cc2)cc1Cl ZINC000284387372 563473090 /nfs/dbraw/zinc/47/30/90/563473090.db2.gz PCGBPYFVGSGJAL-GFCCVEGCSA-N 1 0 383.901 2.845 20 0 GFADRO COCCOC[C@H]1CC[N@H+](Cc2ccc(C(=O)OC)cc2Br)C1 ZINC000284414332 563473821 /nfs/dbraw/zinc/47/38/21/563473821.db2.gz QRYHGSWPKAGCKM-ZDUSSCGKSA-N 1 0 386.286 2.721 20 0 GFADRO COC(=O)c1ccc(C[NH2+][C@H]2CCO[C@@H]2c2nccn2C)c(Br)c1 ZINC000284400209 563474088 /nfs/dbraw/zinc/47/40/88/563474088.db2.gz PTQUPFFLDVAAOE-GJZGRUSLSA-N 1 0 394.269 2.589 20 0 GFADRO Cc1[nH]c2ccc(Br)cc2c1CC(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000427775367 563474267 /nfs/dbraw/zinc/47/42/67/563474267.db2.gz BQNBINXZIAGWMJ-BETUJISGSA-N 1 0 376.298 2.801 20 0 GFADRO Cc1c(Br)cccc1S(=O)(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000427781356 563475554 /nfs/dbraw/zinc/47/55/54/563475554.db2.gz IHGABAHAMHKCSQ-ZFWWWQNUSA-N 1 0 387.343 2.862 20 0 GFADRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2S(=O)(=O)c2ccc(Br)c(F)c2)C1 ZINC000427804132 563476196 /nfs/dbraw/zinc/47/61/96/563476196.db2.gz XJLDLFPVWXVNHG-NHYWBVRUSA-N 1 0 391.306 2.693 20 0 GFADRO CCOC(=O)c1cc(Cl)cc(S(=O)(=O)N2CCC(CC[NH2+]C)CC2)c1 ZINC000427928385 563478926 /nfs/dbraw/zinc/47/89/26/563478926.db2.gz DIGQSTQRDLKEGI-UHFFFAOYSA-N 1 0 388.917 2.527 20 0 GFADRO Cc1cc(Br)ccc1C(=O)N1CCC([NH2+]C[C@H](O)C2CC2)CC1 ZINC000377619150 563480624 /nfs/dbraw/zinc/48/06/24/563480624.db2.gz CDBVWDWFWIQDNU-KRWDZBQOSA-N 1 0 381.314 2.723 20 0 GFADRO Cc1cc(C(=O)NCC2CC[NH2+]CC2)nn1-c1ccc(Br)cc1 ZINC000428132289 563482935 /nfs/dbraw/zinc/48/29/35/563482935.db2.gz TWZQVDANBYGGFF-UHFFFAOYSA-N 1 0 377.286 2.673 20 0 GFADRO O=C(NCC1CC[NH2+]CC1)[C@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl ZINC000428136775 563483314 /nfs/dbraw/zinc/48/33/14/563483314.db2.gz LKKALGYXWSMVCN-MRXNPFEDSA-N 1 0 384.307 2.714 20 0 GFADRO O=C1NC[C@H]2C[N@H+](Cc3coc(-c4ccc(Br)cc4)n3)CC[C@@H]12 ZINC000377733246 563484954 /nfs/dbraw/zinc/48/49/54/563484954.db2.gz UMPIRQAHPHJQTL-SWLSCSKDSA-N 1 0 376.254 2.672 20 0 GFADRO O=S(=O)(CCC(F)(F)F)N1C[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000377767730 563485501 /nfs/dbraw/zinc/48/55/01/563485501.db2.gz IOBURAFDEZKDNX-HZPDHXFCSA-N 1 0 376.444 2.723 20 0 GFADRO C[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccc(Cl)nc2)[C@H]1c1cccs1 ZINC000377765918 563485751 /nfs/dbraw/zinc/48/57/51/563485751.db2.gz YCQZFKKENXIXEZ-ABAIWWIYSA-N 1 0 378.885 2.544 20 0 GFADRO C[N@@H+]1C[C@@H]2CN(S(=O)(=O)c3ccc(Cl)nc3)C[C@@H]2[C@H]1c1ccccc1 ZINC000377842411 563488802 /nfs/dbraw/zinc/48/88/02/563488802.db2.gz DCIUBYSOLVVXKF-UWWQBHOKSA-N 1 0 377.897 2.658 20 0 GFADRO COc1cc(Br)c(C[NH2+][C@@H](C)C(C)(C)n2cncn2)cc1OC ZINC000284856113 563492734 /nfs/dbraw/zinc/49/27/34/563492734.db2.gz AIDPQOLUAOQTML-NSHDSACASA-N 1 0 383.290 2.971 20 0 GFADRO CC1(C)CC(NC(=O)C(=O)Nc2nc(C(F)(F)F)cs2)CC(C)(C)[NH2+]1 ZINC000284889723 563493928 /nfs/dbraw/zinc/49/39/28/563493928.db2.gz WHRVZMZHHPDUQM-UHFFFAOYSA-N 1 0 378.420 2.526 20 0 GFADRO CC1(C)NC(=O)N(CCC[NH2+][C@H](c2cncc(Br)c2)C2CC2)C1=O ZINC000284919242 563494339 /nfs/dbraw/zinc/49/43/39/563494339.db2.gz VRTHGFPGQWFVAW-AWEZNQCLSA-N 1 0 395.301 2.605 20 0 GFADRO [NH3+]C[C@@H]1CCCN(C(=O)[C@@H](c2ccc(Cl)cc2Cl)N2CCOCC2)C1 ZINC000428515943 563494932 /nfs/dbraw/zinc/49/49/32/563494932.db2.gz LBVZBUJFCIKRGJ-SUMWQHHRSA-N 1 0 386.323 2.564 20 0 GFADRO Cn1nnc2cc(C[NH2+]C[C@H](CO)Cc3ccc(Br)cc3)ccc21 ZINC000428547700 563495546 /nfs/dbraw/zinc/49/55/46/563495546.db2.gz YXCWRRQKFVOVFS-OAHLLOKOSA-N 1 0 389.297 2.672 20 0 GFADRO CS(=O)(=O)[C@@H]1CCC[C@@H]([NH2+]CCc2ccc(OCC(F)(F)F)nc2)C1 ZINC000284946697 563496073 /nfs/dbraw/zinc/49/60/73/563496073.db2.gz FAAUWMNJXAPAOO-ZIAGYGMSSA-N 1 0 380.432 2.511 20 0 GFADRO O=S(=O)(Cc1cccc(C(F)(F)F)c1)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000378227427 563499477 /nfs/dbraw/zinc/49/94/77/563499477.db2.gz MUSNELHORLIAFO-GDBMZVCRSA-N 1 0 376.444 2.999 20 0 GFADRO O=C(CNC(=O)c1ccc(Cl)c(Cl)c1)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000378235790 563499849 /nfs/dbraw/zinc/49/98/49/563499849.db2.gz WSWUBFWIPICTCQ-INIZCTEOSA-N 1 0 384.307 2.714 20 0 GFADRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2S(=O)(=O)c2csc(-c3ccccc3)n2)C1 ZINC000330329217 563501543 /nfs/dbraw/zinc/50/15/43/563501543.db2.gz WLUAHPUMNPAMDT-HZPDHXFCSA-N 1 0 377.535 2.915 20 0 GFADRO Cc1cccc(C(=O)N2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)c1Br ZINC000378321154 563502786 /nfs/dbraw/zinc/50/27/86/563502786.db2.gz RRBCTMZNSAXBTR-RDJZCZTQSA-N 1 0 394.357 2.856 20 0 GFADRO C[C@H](NC(=O)NCc1ccc(S(C)(=O)=O)c(Cl)c1)C(C)(C)C[NH+](C)C ZINC000428825956 563502765 /nfs/dbraw/zinc/50/27/65/563502765.db2.gz JUANHFQJZCCURA-LBPRGKRZSA-N 1 0 389.949 2.519 20 0 GFADRO OC[C@H]([NH2+]C[C@@H](O)COCc1ccccc1)c1ccc(Br)c(F)c1 ZINC000428998071 563506310 /nfs/dbraw/zinc/50/63/10/563506310.db2.gz GIDUOVSDOLEETB-QAPCUYQASA-N 1 0 398.272 2.789 20 0 GFADRO CS(=O)(=O)[C@@H]1CCCC[C@H]1[NH2+]CCOc1ccc(OC(F)(F)F)cc1 ZINC000429007282 563506924 /nfs/dbraw/zinc/50/69/24/563506924.db2.gz VEEYKQQJKMCQMK-HUUCEWRRSA-N 1 0 381.416 2.909 20 0 GFADRO O=S1(=O)CC[C@]2(C1)C[C@@H]([NH2+]Cc1ccc(F)c(C(F)(F)F)c1)CCO2 ZINC000378457376 563507736 /nfs/dbraw/zinc/50/77/36/563507736.db2.gz DFHQWOQJMCLIFI-SWLSCSKDSA-N 1 0 381.391 2.670 20 0 GFADRO C[C@H](NC(=O)Cc1csc(NC(=O)c2cccs2)n1)[C@H]1CCC[NH2+]C1 ZINC000429011959 563507981 /nfs/dbraw/zinc/50/79/81/563507981.db2.gz SZCPDCSMNNCLTE-RYUDHWBXSA-N 1 0 378.523 2.504 20 0 GFADRO C[C@@H]([NH2+]CC1(O)CCS(=O)(=O)CC1)[C@@H](C)c1ccccc1C(F)(F)F ZINC000330518676 563508872 /nfs/dbraw/zinc/50/88/72/563508872.db2.gz JOHMTPWOIXQVSN-CHWSQXEVSA-N 1 0 379.444 2.727 20 0 GFADRO COCC[C@H](Cc1cccc(Br)c1)C(=O)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000429177790 563510991 /nfs/dbraw/zinc/51/09/91/563510991.db2.gz CVNNZCHEBPHHJR-FRFSOERESA-N 1 0 383.330 2.840 20 0 GFADRO N#Cc1ccc(S(=O)(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)s1 ZINC000381148605 563515182 /nfs/dbraw/zinc/51/51/82/563515182.db2.gz JKKRSQVNIUVYOC-INIZCTEOSA-N 1 0 375.519 2.810 20 0 GFADRO COC[C@H]([NH2+]C[C@@H](CO)Cc1cccc(Br)c1)C1CCOCC1 ZINC000429423187 563516040 /nfs/dbraw/zinc/51/60/40/563516040.db2.gz AYHSSICMVDPJOX-YJBOKZPZSA-N 1 0 386.330 2.631 20 0 GFADRO Cc1cc(Br)c(NC(=O)CN(C)[C@@H](C)C[NH3+])c(Br)c1 ZINC000382970751 563516418 /nfs/dbraw/zinc/51/64/18/563516418.db2.gz BUEOMFANSFSECG-VIFPVBQESA-N 1 0 393.123 2.738 20 0 GFADRO COC(=O)C1CCC([NH2+]C[C@@H](CO)Cc2cccc(Br)c2)CC1 ZINC000429414403 563516499 /nfs/dbraw/zinc/51/64/99/563516499.db2.gz XVHJSOMILYJWSY-UQPPLGOBSA-N 1 0 384.314 2.922 20 0 GFADRO C[NH+](C)[C@@H]1CCCN(S(=O)(=O)c2c(Cl)cccc2Br)C1 ZINC000383374383 563517275 /nfs/dbraw/zinc/51/72/75/563517275.db2.gz PPXIXOYOYVZLRG-SNVBAGLBSA-N 1 0 381.723 2.817 20 0 GFADRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)c1cc(F)ccc1I ZINC000429608435 563519654 /nfs/dbraw/zinc/51/96/54/563519654.db2.gz GQIGTKSTWIURMO-ZDUSSCGKSA-N 1 0 378.229 2.876 20 0 GFADRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)C(=O)c2ccc(Cl)s2)CC1 ZINC000429667602 563520277 /nfs/dbraw/zinc/52/02/77/563520277.db2.gz LBYRDRUADBMLIT-KBPBESRZSA-N 1 0 383.945 2.601 20 0 GFADRO CS(=O)(=O)N[C@H]1CCCC[C@H]1[NH2+]Cc1cc(-c2ccc(Cl)cc2)no1 ZINC000429726266 563521181 /nfs/dbraw/zinc/52/11/81/563521181.db2.gz UULASPIKDDBGEU-CVEARBPZSA-N 1 0 383.901 2.945 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+][C@@H]2CCOc3ccc(Br)cc32)cc1 ZINC000390314366 563522712 /nfs/dbraw/zinc/52/27/12/563522712.db2.gz WFSMYQBPAQGIDV-OAHLLOKOSA-N 1 0 397.294 2.710 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+][C@H]2CCOc3ccc(Br)cc32)cc1 ZINC000390314363 563522746 /nfs/dbraw/zinc/52/27/46/563522746.db2.gz WFSMYQBPAQGIDV-HNNXBMFYSA-N 1 0 397.294 2.710 20 0 GFADRO Cc1c(Cl)cc(F)c(NC(=O)C(=O)N(CC[NH+](C)C)CC(C)C)c1F ZINC000429809770 563523401 /nfs/dbraw/zinc/52/34/01/563523401.db2.gz PDIHMEZVVBWOFJ-UHFFFAOYSA-N 1 0 375.847 2.911 20 0 GFADRO CCCOc1c(Br)cc(C[NH2+]CCc2ncn(C)n2)cc1OC ZINC000390942437 563524620 /nfs/dbraw/zinc/52/46/20/563524620.db2.gz QRWMGPAXFPMYPU-UHFFFAOYSA-N 1 0 383.290 2.707 20 0 GFADRO O[C@@H](COc1ccc(Br)cc1)C[N@@H+]1CCC[C@@](O)(C(F)(F)F)C1 ZINC000330861774 563524656 /nfs/dbraw/zinc/52/46/56/563524656.db2.gz LRFCFQFJZODVSU-OCCSQVGLSA-N 1 0 398.219 2.578 20 0 GFADRO CN(CCN(C)S(=O)(=O)c1ccc(Cl)cc1Cl)C1CC[NH+](C)CC1 ZINC000429843103 563525130 /nfs/dbraw/zinc/52/51/30/563525130.db2.gz FBIYHQHVIZLARR-UHFFFAOYSA-N 1 0 394.368 2.640 20 0 GFADRO C[C@@H](CC(=O)NCc1cc(Br)c2c(c1)OCCO2)[C@@H]1CCC[NH2+]C1 ZINC000429886844 563527306 /nfs/dbraw/zinc/52/73/06/563527306.db2.gz GWUKWRMYHXAZPZ-GXTWGEPZSA-N 1 0 397.313 2.862 20 0 GFADRO CN(C)[C@@H](CNCc1ncc(I)s1)c1ccco1 ZINC000285581863 563528110 /nfs/dbraw/zinc/52/81/10/563528110.db2.gz WYGUAFXNAUQZNO-VIFPVBQESA-N 1 0 377.251 2.733 20 0 GFADRO CO[C@@]1(C[NH2+]Cc2c(Br)cncc2Br)CCOC1 ZINC000394587989 563530414 /nfs/dbraw/zinc/53/04/14/563530414.db2.gz XBKLXOMXQPRHCF-GFCCVEGCSA-N 1 0 380.080 2.502 20 0 GFADRO OC1(CNc2ncc(Br)cn2)CC[NH+](Cc2ccccc2)CC1 ZINC000397559570 563532824 /nfs/dbraw/zinc/53/28/24/563532824.db2.gz TZIBURQISVFGNY-UHFFFAOYSA-N 1 0 377.286 2.678 20 0 GFADRO [NH3+]C1(CC(=O)Nc2ccc(Br)c(I)c2)CC1 ZINC000398057120 563533021 /nfs/dbraw/zinc/53/30/21/563533021.db2.gz ZEEKAMRDYIHJSI-UHFFFAOYSA-N 1 0 395.038 2.874 20 0 GFADRO COCC[N@@H+]1CCC[C@H](NC(=O)c2cc(Br)ccc2Cl)C1 ZINC000398885897 563533507 /nfs/dbraw/zinc/53/35/07/563533507.db2.gz GICPDEKLLDCKGP-LBPRGKRZSA-N 1 0 375.694 2.943 20 0 GFADRO CC(C)[N@@H+]1CCc2nc(CN3CCCC[C@H]3CCS(C)(=O)=O)sc2C1 ZINC000430110606 563533484 /nfs/dbraw/zinc/53/34/84/563533484.db2.gz ZORXSSSXMUQBDQ-HNNXBMFYSA-N 1 0 385.599 2.699 20 0 GFADRO CCN(C(=O)COC1C[NH2+]C1)[C@H]1CCSc2ccc(Br)cc21 ZINC000430100324 563533552 /nfs/dbraw/zinc/53/35/52/563533552.db2.gz GUFQGTZLGBINSA-AWEZNQCLSA-N 1 0 385.327 2.823 20 0 GFADRO C[C@@H]([NH2+][C@H]1CCCN(S(C)(=O)=O)C1)c1cc(Br)ccc1F ZINC000400197769 563534252 /nfs/dbraw/zinc/53/42/52/563534252.db2.gz MVFDPBDMGWEKKT-PWSUYJOCSA-N 1 0 379.295 2.663 20 0 GFADRO CS(=O)(=O)N1CCC[C@H]([NH2+]C2CC(c3ccc(Br)cc3)C2)C1 ZINC000400231651 563534378 /nfs/dbraw/zinc/53/43/78/563534378.db2.gz MEKLXHXSYWWDDA-SIWZUTFBSA-N 1 0 387.343 2.709 20 0 GFADRO CC[C@H](C(=O)NC[C@H](CO)Cc1cccc(Br)c1)[NH+](CC)CC ZINC000430146113 563535940 /nfs/dbraw/zinc/53/59/40/563535940.db2.gz GCLDOZLIRDSFIA-NVXWUHKLSA-N 1 0 385.346 2.837 20 0 GFADRO COc1ccc(S(=O)(=O)N2CCCC[C@@H]2C[NH+](C)C)cc1Br ZINC000405079527 563537976 /nfs/dbraw/zinc/53/79/76/563537976.db2.gz KOKMVZRVFFHHEP-GFCCVEGCSA-N 1 0 391.331 2.563 20 0 GFADRO CNC(=O)[C@]1(C)CC[N@H+](Cc2cc3c(cc2Br)OCCCO3)C1 ZINC000430274153 563540245 /nfs/dbraw/zinc/54/02/45/563540245.db2.gz GTLNNYWRSUEXMB-QGZVFWFLSA-N 1 0 383.286 2.568 20 0 GFADRO [NH3+]C[C@@H](C(=O)N1CCC(n2cc(Br)cn2)CC1)c1ccccc1 ZINC000430529898 563544633 /nfs/dbraw/zinc/54/46/33/563544633.db2.gz FKLLXYFERJFPIQ-MRXNPFEDSA-N 1 0 377.286 2.552 20 0 GFADRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)Cc2cc[nH]c(=O)c2Br)C1 ZINC000331331832 563546070 /nfs/dbraw/zinc/54/60/70/563546070.db2.gz UNWFUWJONVJDDK-BETUJISGSA-N 1 0 398.345 2.965 20 0 GFADRO C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000430600435 563546772 /nfs/dbraw/zinc/54/67/72/563546772.db2.gz RVRRCJBFSFAZMU-XYPHTWIQSA-N 1 0 380.330 2.622 20 0 GFADRO C[C@H]([NH2+]CCC(F)(F)F)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430712996 563548270 /nfs/dbraw/zinc/54/82/70/563548270.db2.gz JCLQLNQCEDHAQG-ZETCQYMHSA-N 1 0 375.210 2.700 20 0 GFADRO O=S(=O)(c1cc(Br)sc1Cl)N1CCC2(CC[NH2+]C2)CC1 ZINC000431020142 563551433 /nfs/dbraw/zinc/55/14/33/563551433.db2.gz WWIPVALBYRTHOX-UHFFFAOYSA-N 1 0 399.763 2.928 20 0 GFADRO Cc1cc(NC(=O)[C@H](C)N2C[C@H](C)O[C@@]3(CCOC3)C2)ccc1Br ZINC000408350131 563551772 /nfs/dbraw/zinc/55/17/72/563551772.db2.gz YCVYYHFQTHLGRU-DEYYWGMASA-N 1 0 397.313 2.964 20 0 GFADRO CC[NH+](CC)CCOc1ccc(CNS(=O)(=O)c2cnc(C)s2)cc1 ZINC000431074228 563552875 /nfs/dbraw/zinc/55/28/75/563552875.db2.gz RFSRRMDFIMKMLT-UHFFFAOYSA-N 1 0 383.539 2.651 20 0 GFADRO CC(C)([NH3+])c1noc(CN2CCO[C@@H](c3cccc(Br)c3)C2)n1 ZINC000431091829 563553776 /nfs/dbraw/zinc/55/37/76/563553776.db2.gz VSOSMWVRIKGESO-CYBMUJFWSA-N 1 0 381.274 2.599 20 0 GFADRO CC[NH+](CC)[C@@H]1CCN(C(=O)CCCS(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000286267343 563554257 /nfs/dbraw/zinc/55/42/57/563554257.db2.gz VFDZWKAFJRBKSW-MRXNPFEDSA-N 1 0 386.945 2.837 20 0 GFADRO Cc1[nH+]c2ccc(Br)cc2c(N2CC[C@@H](NS(C)(=O)=O)C2)c1C ZINC000408464815 563558011 /nfs/dbraw/zinc/55/80/11/563558011.db2.gz FWPFBLJHEAENIX-CYBMUJFWSA-N 1 0 398.326 2.742 20 0 GFADRO C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCc1cc(Br)c2c(c1)OCCO2 ZINC000331688841 563558002 /nfs/dbraw/zinc/55/80/02/563558002.db2.gz UFBYXHNSMKRXFG-RYUDHWBXSA-N 1 0 383.286 2.709 20 0 GFADRO COC(=O)c1cc(S(=O)(=O)N2CCC[C@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)cs1 ZINC000331761949 563561202 /nfs/dbraw/zinc/56/12/02/563561202.db2.gz BHCRSNRSCGLWAN-MJBXVCDLSA-N 1 0 386.539 2.561 20 0 GFADRO O=C(C[NH+]1CCCC1)N1CCN(C(=O)c2c(Cl)cc(F)cc2Cl)CC1 ZINC000431601361 563564196 /nfs/dbraw/zinc/56/41/96/563564196.db2.gz SHPGCHOJERJLDA-UHFFFAOYSA-N 1 0 388.270 2.513 20 0 GFADRO CC[N@@H+]1CCN(Cc2csc(-c3ccc(S(C)(=O)=O)cc3)n2)[C@@H](C)C1 ZINC000286570807 563566200 /nfs/dbraw/zinc/56/62/00/563566200.db2.gz PPUPPRIXQQTPBY-AWEZNQCLSA-N 1 0 379.551 2.740 20 0 GFADRO C[C@@H]1CN(C(=O)CNC(=O)c2sc3ccccc3c2Cl)C[C@H](C)[N@H+]1C ZINC000331951165 563568228 /nfs/dbraw/zinc/56/82/28/563568228.db2.gz OCMJGFNKSGFBCR-TXEJJXNPSA-N 1 0 379.913 2.836 20 0 GFADRO COCCC[N@H+](C)CCNC(=O)[C@@H]1C[C@]12CCc1cc(Br)ccc12 ZINC000409732963 563569811 /nfs/dbraw/zinc/56/98/11/563569811.db2.gz PDXDYSHODATDKV-HKUYNNGSSA-N 1 0 395.341 2.738 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)c(Br)c1 ZINC000431969828 563572012 /nfs/dbraw/zinc/57/20/12/563572012.db2.gz ALLBDXSFIGLDRK-LSDHHAIUSA-N 1 0 394.313 2.747 20 0 GFADRO C[NH+](C)CCOC1CCN(C(=O)c2n[nH]c3ccc(Br)cc32)CC1 ZINC000332028651 563572097 /nfs/dbraw/zinc/57/20/97/563572097.db2.gz SHQQGKRINDYTTA-UHFFFAOYSA-N 1 0 395.301 2.508 20 0 GFADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)Cc2cscc2Br)C1 ZINC000432063913 563574548 /nfs/dbraw/zinc/57/45/48/563574548.db2.gz PEXCQSRRQCLLJL-CYBMUJFWSA-N 1 0 375.332 2.526 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)N[C@@H]2COc3cc(F)c(Br)cc32)CC[N@@H+]1C ZINC000332077440 563575115 /nfs/dbraw/zinc/57/51/15/563575115.db2.gz XOTLYYJHTPIAOB-GPCCPHFNSA-N 1 0 386.265 2.804 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)N1CCC[C@](O)(C(F)(F)F)CC1)c1ccsc1 ZINC000286924326 563580145 /nfs/dbraw/zinc/58/01/45/563580145.db2.gz ADIQCQBDIIWFOB-UKRRQHHQSA-N 1 0 379.448 2.840 20 0 GFADRO CC[C@@H](NC(=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1)c1ccc(Cl)s1 ZINC000286999984 563582971 /nfs/dbraw/zinc/58/29/71/563582971.db2.gz LLKSLHSDHLCOBH-ZIAGYGMSSA-N 1 0 383.945 2.913 20 0 GFADRO C[C@@H]1CN(C(=O)NC2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)C[C@@H]1[NH3+] ZINC000332253711 563587248 /nfs/dbraw/zinc/58/72/48/563587248.db2.gz AJNZJDNUHGLAIL-PXAZEXFGSA-N 1 0 385.339 2.946 20 0 GFADRO C[C@H]1CN(C(=O)NC2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)C[C@@H]1[NH3+] ZINC000332253713 563587317 /nfs/dbraw/zinc/58/73/17/563587317.db2.gz AJNZJDNUHGLAIL-SJCJKPOMSA-N 1 0 385.339 2.946 20 0 GFADRO CCCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@H+](C[C@@](C)(O)C(F)(F)F)C1 ZINC000410386915 563588889 /nfs/dbraw/zinc/58/88/89/563588889.db2.gz DYRCNARBTWFTNT-DGCLKSJQSA-N 1 0 378.357 2.813 20 0 GFADRO O=C(Nc1ccc(Br)c(F)c1)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000332264617 563589030 /nfs/dbraw/zinc/58/90/30/563589030.db2.gz GFIPGLVHLZBBAW-ZDUSSCGKSA-N 1 0 398.276 2.614 20 0 GFADRO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000410499891 563592019 /nfs/dbraw/zinc/59/20/19/563592019.db2.gz UXMNYTSIGFAAEV-INIZCTEOSA-N 1 0 384.307 2.647 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c(Br)c1 ZINC000332311852 563592435 /nfs/dbraw/zinc/59/24/35/563592435.db2.gz HWGSYNLOZBEYLZ-GZBFAFLISA-N 1 0 394.313 2.590 20 0 GFADRO CNC(=O)c1cccc(NC(=O)N(C)C[C@H]2CCC[N@H+](C)C2)c1Br ZINC000287249472 563593373 /nfs/dbraw/zinc/59/33/73/563593373.db2.gz CKSARROUPJSOFU-LBPRGKRZSA-N 1 0 397.317 2.614 20 0 GFADRO CCC[N@H+](C)[C@@H](CNC(=O)NCC1([S@](C)=O)CC1)c1ccc(Cl)cc1 ZINC000287249874 563593818 /nfs/dbraw/zinc/59/38/18/563593818.db2.gz QVFDAUSRWMZUAT-LMKMVOKYSA-N 1 0 385.961 2.933 20 0 GFADRO Cc1c(Br)cccc1C[N@@H+]1CCC[C@H](c2cc(C(N)=O)[nH]n2)C1 ZINC000332346295 563594336 /nfs/dbraw/zinc/59/43/36/563594336.db2.gz PYEMHWQYBMUAPG-ZDUSSCGKSA-N 1 0 377.286 2.959 20 0 GFADRO Cc1cccc(NC(=O)C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)c1Br ZINC000332342819 563594412 /nfs/dbraw/zinc/59/44/12/563594412.db2.gz XINHFYTZCHXQIQ-CQSZACIVSA-N 1 0 394.313 2.783 20 0 GFADRO C[C@H](CN1CC[NH+](C)CC1)Nc1ccc(Br)c(C(F)(F)F)n1 ZINC000287381181 563599172 /nfs/dbraw/zinc/59/91/72/563599172.db2.gz OOPMUQBBRNCXSO-SNVBAGLBSA-N 1 0 381.240 2.911 20 0 GFADRO C[NH+]1CCC(C)(CNC(=O)c2cc(Br)c3c(c2)OCCO3)CC1 ZINC000332452430 563599725 /nfs/dbraw/zinc/59/97/25/563599725.db2.gz MRELAEVGDZKVGE-UHFFFAOYSA-N 1 0 383.286 2.682 20 0 GFADRO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C(=O)N1CC[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000410975420 563601390 /nfs/dbraw/zinc/60/13/90/563601390.db2.gz JNXHRLYUCUNFJU-BBRMVZONSA-N 1 0 384.307 2.504 20 0 GFADRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)N1CCc2cc(Cl)c(Cl)cc2[C@H]1C ZINC000332491694 563601960 /nfs/dbraw/zinc/60/19/60/563601960.db2.gz OXYIWMBCBAXMHC-UVWXRNBGSA-N 1 0 384.307 2.553 20 0 GFADRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)N(C)Cc2c(Cl)cccc2Cl)C1 ZINC000411034855 563602643 /nfs/dbraw/zinc/60/26/43/563602643.db2.gz YGAQKEWMWYGDRL-CYBMUJFWSA-N 1 0 386.323 2.893 20 0 GFADRO CC(C)[C@@H](C[NH3+])C(=O)NCCSCCOc1cccc(Br)c1 ZINC000433152176 563604868 /nfs/dbraw/zinc/60/48/68/563604868.db2.gz QFFLTJHUJBZHJO-OAHLLOKOSA-N 1 0 389.359 2.908 20 0 GFADRO OCC[N@H+](C[C@H](O)COc1ccc(Cl)cc1Cl)[C@H]1CCCSC1 ZINC000433196960 563605746 /nfs/dbraw/zinc/60/57/46/563605746.db2.gz OGEDLKGMEPJKEE-KBPBESRZSA-N 1 0 380.337 2.923 20 0 GFADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)Cc2cc[nH]c(=O)c2Br)C1 ZINC000332586251 563605736 /nfs/dbraw/zinc/60/57/36/563605736.db2.gz CAABUQZWQMDJIP-BETUJISGSA-N 1 0 384.318 2.576 20 0 GFADRO CS[C@@H]1CN([C@@H]2CCN(c3cccc(Br)c3)C2=O)C[C@H]1[NH+](C)C ZINC000433251228 563607413 /nfs/dbraw/zinc/60/74/13/563607413.db2.gz CCNWFSSOYLQSNZ-BZUAXINKSA-N 1 0 398.370 2.532 20 0 GFADRO Cc1cc(NC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc(F)c1Br ZINC000411149787 563607690 /nfs/dbraw/zinc/60/76/90/563607690.db2.gz XCUCTMPEGYHEGL-YPMHNXCESA-N 1 0 398.276 2.578 20 0 GFADRO Cc1cc(Br)c(NC(=O)C(=O)N[C@H](C)CC[NH+](C)C)cc1Cl ZINC000411188328 563609462 /nfs/dbraw/zinc/60/94/62/563609462.db2.gz CWTCVNDUGVVXNS-SNVBAGLBSA-N 1 0 390.709 2.806 20 0 GFADRO C[C@H]([NH3+])C1CCN(C(=O)N[C@H]2CCN(c3cccc(Br)c3)C2)CC1 ZINC000332657505 563610400 /nfs/dbraw/zinc/61/04/00/563610400.db2.gz JSCRBXLLCKOHQY-BBRMVZONSA-N 1 0 395.345 2.797 20 0 GFADRO C[C@H]1C[C@H](NC(=O)c2nn(-c3ccc(F)cc3)cc2Br)CC[N@@H+]1C ZINC000332665222 563610739 /nfs/dbraw/zinc/61/07/39/563610739.db2.gz OZOHAJROWARPSA-WCQYABFASA-N 1 0 395.276 2.986 20 0 GFADRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)C(C)(C)S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000287637534 563611391 /nfs/dbraw/zinc/61/13/91/563611391.db2.gz GBQLGZMNAVWZPI-GJZGRUSLSA-N 1 0 386.945 2.881 20 0 GFADRO C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)Nc1nnc(-c2ccc(Cl)cc2F)s1 ZINC000332688037 563611858 /nfs/dbraw/zinc/61/18/58/563611858.db2.gz UMXISXWYTJZSAJ-VHSXEESVSA-N 1 0 383.880 3.554 20 0 GFADRO C[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)c1ncn([C@@H]2CCC[NH2+]C2)n1 ZINC000433401452 563612000 /nfs/dbraw/zinc/61/20/00/563612000.db2.gz SGEDIJPTHIZIPC-SMDDNHRTSA-N 1 0 382.295 2.870 20 0 GFADRO C[N@H+]1CC=C(CNC(=O)N[C@H](c2cncc(Br)c2)C2CC2)CC1 ZINC000287774853 563617511 /nfs/dbraw/zinc/61/75/11/563617511.db2.gz JVSYMJZBKJCAGW-INIZCTEOSA-N 1 0 379.302 2.856 20 0 GFADRO O=C(NCC[N@H+]1CC=CCC1)N[C@@H](c1cncc(Br)c1)C1CC1 ZINC000287809404 563618794 /nfs/dbraw/zinc/61/87/94/563618794.db2.gz LTAKDZJIUNWWIP-MRXNPFEDSA-N 1 0 379.302 2.856 20 0 GFADRO C[NH+](C)CCNC(=O)c1cccc(CNc2ncccc2Br)c1 ZINC000287890776 563621876 /nfs/dbraw/zinc/62/18/76/563621876.db2.gz NOBWHPCOKTUVDM-UHFFFAOYSA-N 1 0 377.286 2.748 20 0 GFADRO O=C(Nc1cnn(-c2ccccc2Br)c1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000333135925 563621882 /nfs/dbraw/zinc/62/18/82/563621882.db2.gz KFIMYKMUXNDTDD-KRWDZBQOSA-N 1 0 390.285 2.852 20 0 GFADRO CS[C@H]1CN(CCC(=O)NCc2ccccc2Cl)C[C@H]1[NH+]1CCCC1 ZINC000411529667 563622247 /nfs/dbraw/zinc/62/22/47/563622247.db2.gz UVHBAIIPRPDOEO-MSOLQXFVSA-N 1 0 381.973 2.858 20 0 GFADRO CC1(C)CN(C(=O)Nc2ccc(-c3ccc(Br)s3)nn2)CC[NH2+]1 ZINC000333256719 563626102 /nfs/dbraw/zinc/62/61/02/563626102.db2.gz DIKUAAVELZEOQI-UHFFFAOYSA-N 1 0 396.314 3.183 20 0 GFADRO COc1cc(Br)ccc1C(=O)N1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000333253732 563626156 /nfs/dbraw/zinc/62/61/56/563626156.db2.gz HIIHPFXXSVJDJB-DOTOQJQBSA-N 1 0 397.313 2.816 20 0 GFADRO C[C@H]1C[C@H](N(C)S(=O)(=O)Cc2cccc(Br)c2)CC[N@@H+]1C ZINC000288045342 563626990 /nfs/dbraw/zinc/62/69/90/563626990.db2.gz IHOGYKDDEFNNMA-SWLSCSKDSA-N 1 0 375.332 2.693 20 0 GFADRO COCC[N@H+](CCC(=O)Nc1ccc(Br)cc1)[C@H]1CCO[C@@H]1C ZINC000411658437 563628098 /nfs/dbraw/zinc/62/80/98/563628098.db2.gz WMRULHDIKKPFGY-CJNGLKHVSA-N 1 0 385.302 2.904 20 0 GFADRO Cc1ccc(NC(=O)C(=O)NCC[C@H]2CCC[N@@H+](C)C2)cc1Br ZINC000411670000 563628891 /nfs/dbraw/zinc/62/88/91/563628891.db2.gz JYXFOQHFFNBJAC-CYBMUJFWSA-N 1 0 382.302 2.544 20 0 GFADRO COc1cc(OC)c(NC(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1Br ZINC000333364929 563629232 /nfs/dbraw/zinc/62/92/32/563629232.db2.gz UEJLHHTWASDENX-JQWIXIFHSA-N 1 0 384.274 2.682 20 0 GFADRO C[NH+](C)CCN(Cc1ccsc1)C(=O)C(=O)Nc1scnc1C1CC1 ZINC000411693440 563630098 /nfs/dbraw/zinc/63/00/98/563630098.db2.gz LQYKAPVSQSYBPT-UHFFFAOYSA-N 1 0 378.523 2.611 20 0 GFADRO O=C(Nc1nnc(-c2ccc(Cl)cc2F)s1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000333381347 563630129 /nfs/dbraw/zinc/63/01/29/563630129.db2.gz WIGNWBSNYWXHCW-INIZCTEOSA-N 1 0 381.864 3.215 20 0 GFADRO CSc1ccc(NC(=O)C(=O)N(CC[NH+](C)C)Cc2ccsc2)cc1 ZINC000411690430 563630157 /nfs/dbraw/zinc/63/01/57/563630157.db2.gz FROPCRQYLXGKQJ-UHFFFAOYSA-N 1 0 377.535 2.999 20 0 GFADRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)Nc3ccc4nccnc4c3Br)C[C@@H]12 ZINC000333377607 563630287 /nfs/dbraw/zinc/63/02/87/563630287.db2.gz VVBAJSBMCAXHAK-GMTAPVOTSA-N 1 0 376.258 2.593 20 0 GFADRO C[C@H](NC(=O)C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1)c1cccc(Cl)c1Cl ZINC000288166210 563632008 /nfs/dbraw/zinc/63/20/08/563632008.db2.gz MIDMLDRLDNVOQJ-QWHCGFSZSA-N 1 0 386.323 2.971 20 0 GFADRO C[C@@](CO)([NH2+]CCC(=O)Nc1ccc(Br)cc1)c1cccc(O)c1 ZINC000411737959 563632425 /nfs/dbraw/zinc/63/24/25/563632425.db2.gz RPOZOXIAXDJPRG-SFHVURJKSA-N 1 0 393.281 2.981 20 0 GFADRO O=C(CC[NH2+][C@H](C1CC1)[C@@]1(CO)CCCO1)Nc1ccccc1Br ZINC000411772870 563633636 /nfs/dbraw/zinc/63/36/36/563633636.db2.gz RMMQHKSWYXJQHK-MSOLQXFVSA-N 1 0 397.313 2.687 20 0 GFADRO CC(C)(C)c1ccc(S(=O)(=O)N2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)s1 ZINC000333476766 563634093 /nfs/dbraw/zinc/63/40/93/563634093.db2.gz BOEHRYPNLSMPGQ-PBHICJAKSA-N 1 0 386.583 2.953 20 0 GFADRO CCc1nc(C(=O)N2CC[NH2+][C@@H](C)[C@H]2C)nn1-c1c(Cl)cccc1Cl ZINC000434702198 563635638 /nfs/dbraw/zinc/63/56/38/563635638.db2.gz BQLAUSJYXZVRAM-WDEREUQCSA-N 1 0 382.295 2.959 20 0 GFADRO O=C(NCc1cc2cc(Br)ccc2[nH]1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000333559064 563636104 /nfs/dbraw/zinc/63/61/04/563636104.db2.gz LCWKLONGELUCRW-KRWDZBQOSA-N 1 0 377.286 2.825 20 0 GFADRO COc1cc(C)cc(C)c1S(=O)(=O)N1C[C@@H](SC)[C@H]([NH+]2CCCC2)C1 ZINC000434730734 563636516 /nfs/dbraw/zinc/63/65/16/563636516.db2.gz SVIINATXPIZWDZ-NVXWUHKLSA-N 1 0 384.567 2.512 20 0 GFADRO O=C(c1cn([C@@H]2CCC[NH2+]C2)nn1)N1CCc2c(Cl)cc(Cl)cc2C1 ZINC000333611818 563636696 /nfs/dbraw/zinc/63/66/96/563636696.db2.gz SDADWFXLTZUUQP-CYBMUJFWSA-N 1 0 380.279 2.708 20 0 GFADRO C[C@H]1NC(=O)N(CC[N@@H+]2CCC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)C1=O ZINC000333598659 563636770 /nfs/dbraw/zinc/63/67/70/563636770.db2.gz MDPLBFIJWYIWAU-YPMHNXCESA-N 1 0 386.279 2.777 20 0 GFADRO COC[C@@H]([NH2+]Cc1cc2c(cc1Br)OCCCO2)[C@@H]1CCCO1 ZINC000434785272 563638471 /nfs/dbraw/zinc/63/84/71/563638471.db2.gz LZVKXEISQTYEPZ-CABCVRRESA-N 1 0 386.286 2.894 20 0 GFADRO [NH3+][C@H]1CCO[C@H](C2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)C1 ZINC000333724649 563640644 /nfs/dbraw/zinc/64/06/44/563640644.db2.gz VFHCPUUQIYFOFH-WFASDCNBSA-N 1 0 393.336 2.900 20 0 GFADRO [NH3+][C@H]1CCCO[C@@H]1C1CCN(C(=O)c2ccc(F)cc2Br)CC1 ZINC000333764599 563641358 /nfs/dbraw/zinc/64/13/58/563641358.db2.gz AZERXXAPVWUAHL-JKSUJKDBSA-N 1 0 385.277 2.947 20 0 GFADRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)N[C@@H]3CCN(c4ccc(Cl)c(Cl)c4)C3)C[C@@H]12 ZINC000333787839 563641739 /nfs/dbraw/zinc/64/17/39/563641739.db2.gz MAFMDNZSIXOVNA-CTWCOEIASA-N 1 0 383.323 2.951 20 0 GFADRO [NH3+][C@H]1CCCO[C@H]1C1CCN(C(=O)c2ccc(Br)c(F)c2)CC1 ZINC000333785211 563641802 /nfs/dbraw/zinc/64/18/02/563641802.db2.gz FIAPXKBRXORGJN-HOTGVXAUSA-N 1 0 385.277 2.947 20 0 GFADRO C[C@H](NC(=O)[C@H](C)[N@@H+]1CC[C@H](C(=O)N(C)C)C1)c1ccc(Cl)cc1Cl ZINC000411954361 563642438 /nfs/dbraw/zinc/64/24/38/563642438.db2.gz ZNAYOCXPNXUHQJ-AVGNSLFASA-N 1 0 386.323 2.969 20 0 GFADRO C[C@@H]1CN(CC[N@H+](C)Cc2cc(Br)cc3c2OCC3)C[C@H](C)O1 ZINC000435047364 563642524 /nfs/dbraw/zinc/64/25/24/563642524.db2.gz GMWVNNBCISQQAI-OKILXGFUSA-N 1 0 383.330 2.925 20 0 GFADRO Cc1cc([C@@H]2CCCN2C(=O)NC[C@H]2C[NH2+]CCCO2)ccc1Br ZINC000333831804 563642960 /nfs/dbraw/zinc/64/29/60/563642960.db2.gz MRFQRDHYEJZJJA-WBVHZDCISA-N 1 0 396.329 2.983 20 0 GFADRO O=C(N[C@@H](c1cncc(Br)c1)C1CC1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000333824004 563643204 /nfs/dbraw/zinc/64/32/04/563643204.db2.gz ROKRPYOUCRLLPX-WBVHZDCISA-N 1 0 379.302 2.690 20 0 GFADRO C[C@H](NC(=O)[C@H](C)[NH2+][C@H](CO)[C@@H]1CCCOC1)c1ccc(Cl)cc1Cl ZINC000411986131 563643426 /nfs/dbraw/zinc/64/34/26/563643426.db2.gz FAZZHUQYIYZHQW-APNQJHFZSA-N 1 0 389.323 2.936 20 0 GFADRO OC[C@H]([NH2+]Cc1ncc(-c2cccc(Br)c2)o1)[C@@H]1CCCOC1 ZINC000411999674 563644279 /nfs/dbraw/zinc/64/42/79/563644279.db2.gz XVBHVMXFHCKQFN-HIFRSBDPSA-N 1 0 381.270 2.981 20 0 GFADRO C[C@H]1CC(C)(C)C[N@@H+]1CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000412037384 563645071 /nfs/dbraw/zinc/64/50/71/563645071.db2.gz HPVQEGDJDGKNEU-LBPRGKRZSA-N 1 0 387.933 2.649 20 0 GFADRO COC(=O)CC[C@@H]([NH3+])C(=O)Nc1ccc(Br)c(C(F)(F)F)c1 ZINC000288514119 563645873 /nfs/dbraw/zinc/64/58/73/563645873.db2.gz FXYRBYVQSBGXJT-SNVBAGLBSA-N 1 0 383.164 2.687 20 0 GFADRO O=C(N[C@H]1CCOc2ccc(Br)cc21)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000333948626 563646491 /nfs/dbraw/zinc/64/64/91/563646491.db2.gz WMDXTLFINCJCKR-YOEHRIQHSA-N 1 0 380.286 2.668 20 0 GFADRO CC(C)c1nn(-c2ccc(Br)cc2)cc1CN1CCO[C@@H](C[NH3+])C1 ZINC000435389610 563648920 /nfs/dbraw/zinc/64/89/20/563648920.db2.gz NBLBQYRYXFKGGU-KRWDZBQOSA-N 1 0 393.329 2.918 20 0 GFADRO CS[C@@H]1CN(S(=O)(=O)c2c(Cl)cc(F)cc2Cl)C[C@H]1[NH+](C)C ZINC000435425149 563649643 /nfs/dbraw/zinc/64/96/43/563649643.db2.gz CCRSEPBVGNAQJD-VXGBXAGGSA-N 1 0 387.329 2.799 20 0 GFADRO CC(C)[N@@H+]1CCC[C@@H](NS(=O)(=O)c2ccc(Br)cc2F)C1 ZINC000435440587 563651056 /nfs/dbraw/zinc/65/10/56/563651056.db2.gz XXXIWALNVHGYJG-GFCCVEGCSA-N 1 0 379.295 2.739 20 0 GFADRO O=C(CCn1cc(Cl)cn1)N(Cc1nccs1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435573137 563653530 /nfs/dbraw/zinc/65/35/30/563653530.db2.gz DZYBSNHUENSXKE-CQSZACIVSA-N 1 0 379.917 2.554 20 0 GFADRO CC1CC[NH+](CCNC(=O)[C@@H]2CC(=O)Nc3ccc(Br)cc32)CC1 ZINC000435886432 563660181 /nfs/dbraw/zinc/66/01/81/563660181.db2.gz XHJTZJOZXPODQF-OAHLLOKOSA-N 1 0 394.313 2.723 20 0 GFADRO COc1ncc(Br)cc1Cc1noc(CC2CC[NH+](C)CC2)n1 ZINC000350130446 563667914 /nfs/dbraw/zinc/66/79/14/563667914.db2.gz WAXYMIQNHMHJKA-UHFFFAOYSA-N 1 0 381.274 2.711 20 0 GFADRO Cc1ncsc1CCS(=O)(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000289091868 563667848 /nfs/dbraw/zinc/66/78/48/563667848.db2.gz IJQFYFHIIRNWBU-CQSZACIVSA-N 1 0 385.580 2.812 20 0 GFADRO Cn1ncc(Cl)c1C[NH2+]C[C@@H](CO)Cc1ccccc1OC(F)(F)F ZINC000436238168 563668414 /nfs/dbraw/zinc/66/84/14/563668414.db2.gz IVYOKIRRFXBTHH-NSHDSACASA-N 1 0 377.794 2.913 20 0 GFADRO CCO[C@H]1C[C@@](CO)([NH2+]Cc2cc3c(cc2Br)OCO3)C1(C)C ZINC000436387680 563670018 /nfs/dbraw/zinc/67/00/18/563670018.db2.gz KKIQNIWTONFBFG-RDJZCZTQSA-N 1 0 386.286 2.834 20 0 GFADRO CC(C)[C@H]1C[N@H+](C)CCN1CC(=O)N(C)Cc1cc(Br)cs1 ZINC000436483289 563671706 /nfs/dbraw/zinc/67/17/06/563671706.db2.gz KGFXMXUZCTZVSN-OAHLLOKOSA-N 1 0 388.375 2.741 20 0 GFADRO C[NH+](C)CCN(Cc1ccco1)Cc1ncc(I)s1 ZINC000289548817 563678029 /nfs/dbraw/zinc/67/80/29/563678029.db2.gz XNIGWVYHEZIGQE-UHFFFAOYSA-N 1 0 391.278 2.905 20 0 GFADRO OCc1cn(CCC[NH2+][C@H]2CCc3c2cc(Br)cc3Cl)nn1 ZINC000289605098 563680291 /nfs/dbraw/zinc/68/02/91/563680291.db2.gz CUHAIZPNPUYIKT-HNNXBMFYSA-N 1 0 385.693 2.854 20 0 GFADRO [NH3+][C@H]1CCc2nc(NC(=O)COc3ccccc3Br)sc2C1 ZINC000289742202 563684884 /nfs/dbraw/zinc/68/48/84/563684884.db2.gz HFFNJYZWILUZAN-VIFPVBQESA-N 1 0 382.283 2.739 20 0 GFADRO COc1cc(C[NH2+][C@@H](C)c2ccc(Br)nc2)ccc1OCC(N)=O ZINC000289799300 563687194 /nfs/dbraw/zinc/68/71/94/563687194.db2.gz OTQSASJNNUDDDM-NSHDSACASA-N 1 0 394.269 2.568 20 0 GFADRO Cc1cc(C[N@@H+]2CCC[C@H]2C[C@@]2(C)NC(=O)NC2=O)ccc1Br ZINC000289835649 563688748 /nfs/dbraw/zinc/68/87/48/563688748.db2.gz ULWRUCJHMDOAAN-SUMWQHHRSA-N 1 0 380.286 2.710 20 0 GFADRO C[N@H+](CCCCNc1ncc(Cn2cc(Br)cn2)s1)C1CC1 ZINC000413347265 563690110 /nfs/dbraw/zinc/69/01/10/563690110.db2.gz KQWRIHNYXJJNHE-UHFFFAOYSA-N 1 0 384.347 3.437 20 0 GFADRO C[C@H](NC(=O)C(=O)N(C)Cc1cc(Cl)cc(Cl)c1)C1=CC[N@H+](C)CC1 ZINC000289885180 563690304 /nfs/dbraw/zinc/69/03/04/563690304.db2.gz WEZWZSQBEMFIBD-LBPRGKRZSA-N 1 0 384.307 2.718 20 0 GFADRO C[C@@H]([NH2+]C[C@@H](O)COc1ccc2c(c1)OCO2)c1ccc(Br)nc1 ZINC000289946980 563692186 /nfs/dbraw/zinc/69/21/86/563692186.db2.gz WKTXLSNBSGBIKK-DGCLKSJQSA-N 1 0 395.253 2.663 20 0 GFADRO Cc1c(C(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)cnn1-c1ccc(Br)cc1 ZINC000289987358 563693837 /nfs/dbraw/zinc/69/38/37/563693837.db2.gz YECDHQZGWYHNQT-KGLIPLIRSA-N 1 0 389.297 2.625 20 0 GFADRO COC(=O)[C@H]1CN(c2ccnc3c(Br)ccc(F)c23)CC[N@H+](C)C1 ZINC000413490748 563694680 /nfs/dbraw/zinc/69/46/80/563694680.db2.gz AHOYEPNNEFRCRH-LLVKDONJSA-N 1 0 396.260 2.677 20 0 GFADRO COC(=O)[C@@H]1CN(c2ccc3cccc(Br)c3n2)CC[N@H+](C)C1 ZINC000413511617 563695479 /nfs/dbraw/zinc/69/54/79/563695479.db2.gz ZXGYUQVKXMGPER-ZDUSSCGKSA-N 1 0 378.270 2.538 20 0 GFADRO O=C(CN1CCC[N@@H+](C2CCOCC2)CC1)Nc1ccccc1Br ZINC000360962161 563696210 /nfs/dbraw/zinc/69/62/10/563696210.db2.gz XISPLVYXVMSHKA-UHFFFAOYSA-N 1 0 396.329 2.574 20 0 GFADRO O=C(CN1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1)Nc1ccccc1Br ZINC000360973332 563696382 /nfs/dbraw/zinc/69/63/82/563696382.db2.gz SZKIQIRIZHKTSD-CKEIUWERSA-N 1 0 378.314 2.804 20 0 GFADRO O=C(COc1ccc(F)cc1Br)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000290092138 563697854 /nfs/dbraw/zinc/69/78/54/563697854.db2.gz JJSXTUFJHZSMHI-ZDUSSCGKSA-N 1 0 385.277 2.815 20 0 GFADRO COCCOCc1ccc(C[N@H+](C)CCn2cc(Br)cn2)cc1 ZINC000290272274 563703217 /nfs/dbraw/zinc/70/32/17/563703217.db2.gz YAJKZJCPSLLJAB-UHFFFAOYSA-N 1 0 382.302 2.941 20 0 GFADRO O=C1C[C@H]([C@@H]2CCCC[N@H+]2Cc2cc3c(c(Br)c2)OCO3)CN1 ZINC000362076580 563703493 /nfs/dbraw/zinc/70/34/93/563703493.db2.gz HIBRRLQLRGPXDD-JSGCOSHPSA-N 1 0 381.270 2.668 20 0 GFADRO Cc1cc(C(=O)N(C)[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)ccc1Br ZINC000362132763 563703854 /nfs/dbraw/zinc/70/38/54/563703854.db2.gz WNLIIYQDNXXBKI-QGZVFWFLSA-N 1 0 394.357 2.998 20 0 GFADRO O=S(=O)(NCC[C@H]1CCC[NH2+]C1)c1cc(Br)sc1Cl ZINC000440417940 563741313 /nfs/dbraw/zinc/74/13/13/563741313.db2.gz RERYJPZVNVVRTG-MRVPVSSYSA-N 1 0 387.752 2.832 20 0 GFADRO COC(=O)[C@@H]1CN(C(=O)C[C@H](C)c2ccc(Br)cc2)CC[N@H+](C)C1 ZINC000413898707 563709751 /nfs/dbraw/zinc/70/97/51/563709751.db2.gz ISJXDSGSJXZCLV-ZFWWWQNUSA-N 1 0 397.313 2.506 20 0 GFADRO Brc1c(CNCC2([NH+]3CCCC3)CCOCC2)nc2ccccn21 ZINC000290524612 563712777 /nfs/dbraw/zinc/71/27/77/563712777.db2.gz XTONRCUAADHFHS-UHFFFAOYSA-N 1 0 393.329 2.831 20 0 GFADRO C[C@H]([NH2+]C[C@](O)(c1nccn1C)C(F)(F)F)c1ccc(Br)nc1 ZINC000290569231 563714395 /nfs/dbraw/zinc/71/43/95/563714395.db2.gz FBUNRVSXBFGYEF-ZANVPECISA-N 1 0 393.207 2.678 20 0 GFADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1cc2c(cccc2Br)[nH]1 ZINC000363087504 563714450 /nfs/dbraw/zinc/71/44/50/563714450.db2.gz ATHIDFIQEQIBEM-NEPJUHHUSA-N 1 0 378.270 2.523 20 0 GFADRO CC[C@@H](C(=O)Nc1cc(Br)c(F)cc1N1CCOCC1)[NH+](C)C ZINC000414010110 563715132 /nfs/dbraw/zinc/71/51/32/563715132.db2.gz XZXSLEQKXUENBG-AWEZNQCLSA-N 1 0 388.281 2.704 20 0 GFADRO C[C@@H](c1ncc(Br)cn1)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000438996883 563715561 /nfs/dbraw/zinc/71/55/61/563715561.db2.gz FWCYPVJAKMSPKG-AWEZNQCLSA-N 1 0 383.334 2.877 20 0 GFADRO CC[NH+](CC)CC[C@@H](CO)NC(=O)Nc1ccc(Br)c(OC)c1 ZINC000439017076 563716035 /nfs/dbraw/zinc/71/60/35/563716035.db2.gz ABWJGLLVCHKAPP-ZDUSSCGKSA-N 1 0 388.306 2.672 20 0 GFADRO C[NH+]1CCN(C[C@@H](O)COc2ccc3ccccc3c2Br)CC1 ZINC000414165052 563720903 /nfs/dbraw/zinc/72/09/03/563720903.db2.gz PAVDEIWGIYELIC-OAHLLOKOSA-N 1 0 379.298 2.589 20 0 GFADRO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@](C)(CO)c1ccccc1 ZINC000414165347 563721079 /nfs/dbraw/zinc/72/10/79/563721079.db2.gz POFQPQSOPOWNIZ-KBXCAEBGSA-N 1 0 379.298 2.539 20 0 GFADRO C[C@@H]1CC[N@H+](C)CCN1C(=O)C(=O)Nc1ccc(C(F)(F)F)cc1Cl ZINC000439338636 563723119 /nfs/dbraw/zinc/72/31/19/563723119.db2.gz DDIPMUNJYGUISN-SNVBAGLBSA-N 1 0 377.794 2.850 20 0 GFADRO C[C@@H](CCc1ccco1)[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000414272488 563724673 /nfs/dbraw/zinc/72/46/73/563724673.db2.gz XHDHWCKTNCGARG-NSHDSACASA-N 1 0 387.299 2.800 20 0 GFADRO CC[C@@H]([NH2+][C@@H]1CCCC(F)(F)[C@H]1O)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000414293858 563725396 /nfs/dbraw/zinc/72/53/96/563725396.db2.gz CWCIEGSZRDVPHJ-NFAWXSAZSA-N 1 0 396.887 2.838 20 0 GFADRO C[N@H+](C[C@@H](O)COc1cc(F)cc(Br)c1)CC1CCOCC1 ZINC000439443150 563725538 /nfs/dbraw/zinc/72/55/38/563725538.db2.gz NLPLPSKUHWPUTC-OAHLLOKOSA-N 1 0 376.266 2.686 20 0 GFADRO Cc1ncc(C[N@@H+]2CC[C@@H](NC(=O)c3cc(N)nc(Cl)c3)[C@@H](C)C2)s1 ZINC000363552043 563726058 /nfs/dbraw/zinc/72/60/58/563726058.db2.gz WLLMAWVFNKNWPN-IINYFYTJSA-N 1 0 379.917 2.723 20 0 GFADRO COCCN1CC[C@H]([NH2+]C2CCN(Cc3cccc(Br)c3)CC2)C1 ZINC000414352032 563728579 /nfs/dbraw/zinc/72/85/79/563728579.db2.gz OUGXCRGUNGYUIS-IBGZPJMESA-N 1 0 396.373 2.724 20 0 GFADRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)c3c(F)cccc3I)C[C@H]21 ZINC000363651385 563729451 /nfs/dbraw/zinc/72/94/51/563729451.db2.gz KUWFPXBNMFPFOZ-OPQQBVKSSA-N 1 0 388.224 2.630 20 0 GFADRO CO[C@@H]1CCC[N@H+](CC(=O)N(C)Cc2cc(Br)cs2)CC1 ZINC000363675251 563729821 /nfs/dbraw/zinc/72/98/21/563729821.db2.gz OAPHKEXZTPYPIA-CYBMUJFWSA-N 1 0 375.332 2.970 20 0 GFADRO CC(C)(C)[NH+]1CCC([NH2+]C2CCN(S(=O)(=O)c3cccs3)CC2)CC1 ZINC000363762890 563732437 /nfs/dbraw/zinc/73/24/37/563732437.db2.gz NXTJWJUOBAXWOJ-UHFFFAOYSA-N 1 0 385.599 2.754 20 0 GFADRO COc1cccc(N2CCC[C@@H]([NH2+]Cc3ccc(S(C)(=O)=O)s3)C2)c1 ZINC000414394765 563733681 /nfs/dbraw/zinc/73/36/81/563733681.db2.gz PROQRCRNUNRBRX-CQSZACIVSA-N 1 0 380.535 2.919 20 0 GFADRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NS(=O)(=O)c1cc2c(cc1Cl)OCCO2 ZINC000440070910 563735312 /nfs/dbraw/zinc/73/53/12/563735312.db2.gz KXGVPEMGHVGRFJ-QWHCGFSZSA-N 1 0 388.917 2.510 20 0 GFADRO Cc1cc(Br)ccc1C(=O)N1CCC([NH2+]Cc2ccnn2C)CC1 ZINC000363910131 563735915 /nfs/dbraw/zinc/73/59/15/563735915.db2.gz UJKQQTKUPOGMSC-UHFFFAOYSA-N 1 0 391.313 2.885 20 0 GFADRO Cc1nn(C)c(CN[C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)c1Br ZINC000363944598 563737804 /nfs/dbraw/zinc/73/78/04/563737804.db2.gz HZCOSBCUSBHAOJ-BBRMVZONSA-N 1 0 392.345 2.886 20 0 GFADRO Cc1c(I)cccc1C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000363941276 563737917 /nfs/dbraw/zinc/73/79/17/563737917.db2.gz RIYPUCYOPQPNML-QWHCGFSZSA-N 1 0 384.261 2.956 20 0 GFADRO C[N@@H+]1CCC[C@H](CNS(=O)(=O)[C@@H]2CCCOC2)[C@H]1c1cccc(Cl)c1 ZINC000363973463 563738697 /nfs/dbraw/zinc/73/86/97/563738697.db2.gz OVZCNOGERYUYNJ-KBAYOESNSA-N 1 0 386.945 2.821 20 0 GFADRO C[C@@H](NS(=O)(=O)c1cc(Br)ccc1Cl)[C@@H]1CCC[NH2+]C1 ZINC000440337189 563739146 /nfs/dbraw/zinc/73/91/46/563739146.db2.gz BXTDJTXCHCSOTF-NXEZZACHSA-N 1 0 381.723 2.769 20 0 GFADRO O=S(=O)(N[C@H]1CCC[NH2+]C1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000440357930 563740044 /nfs/dbraw/zinc/74/00/44/563740044.db2.gz MKAIFUIRMFABRO-JTQLQIEISA-N 1 0 376.322 2.755 20 0 GFADRO COCCCN(C(=O)Cc1ccc(Br)cc1)C1CC[NH+](C)CC1 ZINC000291376504 563740881 /nfs/dbraw/zinc/74/08/81/563740881.db2.gz ZVUPQEQNSUWBLR-UHFFFAOYSA-N 1 0 383.330 2.951 20 0 GFADRO C[C@@H]([NH3+])c1ccc(CNS(=O)(=O)c2cc3c(cc2Cl)OCCO3)cc1 ZINC000440407154 563741718 /nfs/dbraw/zinc/74/17/18/563741718.db2.gz HTTUVHICWOXNKF-LLVKDONJSA-N 1 0 382.869 2.609 20 0 GFADRO Cc1cc(Br)cc(C)c1S(=O)(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000440413454 563741802 /nfs/dbraw/zinc/74/18/02/563741802.db2.gz UKOLFTLDKHGQML-ZDUSSCGKSA-N 1 0 375.332 2.734 20 0 GFADRO Cc1c(S(=O)(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)cnn1-c1ccc(Cl)cc1 ZINC000440442786 563742154 /nfs/dbraw/zinc/74/21/54/563742154.db2.gz PXRWSILAZRLBDH-TZMCWYRMSA-N 1 0 382.917 2.582 20 0 GFADRO Cn1cnc(C(=O)N(CC[NH+]2CCCC2)Cc2ccc(Cl)c(Cl)c2)n1 ZINC000291433109 563742949 /nfs/dbraw/zinc/74/29/49/563742949.db2.gz ZXEUYFIEILUDCP-UHFFFAOYSA-N 1 0 382.295 2.860 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]C[C@H](C)CCOC ZINC000414476841 563743687 /nfs/dbraw/zinc/74/36/87/563743687.db2.gz AAEPBKXSKFWQJC-OLZOCXBDSA-N 1 0 387.318 2.725 20 0 GFADRO CN(C)C(=O)[C@H]1CC[N@H+](Cc2cnn(-c3ccc(Br)cc3)c2)C1 ZINC000414500423 563744284 /nfs/dbraw/zinc/74/42/84/563744284.db2.gz QBAAYHGMTFTAAP-AWEZNQCLSA-N 1 0 377.286 2.545 20 0 GFADRO CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)[C@H]1CC1(Cl)Cl ZINC000364171153 563745345 /nfs/dbraw/zinc/74/53/45/563745345.db2.gz BFYHARWKJUCFON-MRXNPFEDSA-N 1 0 376.372 2.835 20 0 GFADRO CCS(=O)(=O)CCC[NH2+]Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000414541271 563746175 /nfs/dbraw/zinc/74/61/75/563746175.db2.gz IIXNBAICZZAKBM-UHFFFAOYSA-N 1 0 375.416 2.806 20 0 GFADRO CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1([NH3+])C(=O)NC[C@@H](O)c1ccc(Cl)cc1Cl ZINC000364221739 563746652 /nfs/dbraw/zinc/74/66/52/563746652.db2.gz PQUARVZWTLWDRA-KDQZPGIASA-N 1 0 387.307 2.676 20 0 GFADRO C[N@H+](Cc1cc(Br)c2c(c1)OCCO2)C(C)(C)CN1CCOCC1 ZINC000414570181 563746816 /nfs/dbraw/zinc/74/68/16/563746816.db2.gz QSOFKJMACBQJQZ-UHFFFAOYSA-N 1 0 399.329 2.763 20 0 GFADRO CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)NC[C@H](O)c1ccc(Cl)cc1Cl ZINC000364221738 563746919 /nfs/dbraw/zinc/74/69/19/563746919.db2.gz PQUARVZWTLWDRA-FRQROOTJSA-N 1 0 387.307 2.676 20 0 GFADRO COCCC[N@@H+]1CCCN(C(=O)Nc2ccc(Br)c(C)n2)CC1 ZINC000364321884 563748977 /nfs/dbraw/zinc/74/89/77/563748977.db2.gz CXDDFRCKCYNYKN-UHFFFAOYSA-N 1 0 385.306 2.729 20 0 GFADRO O=S(=O)(c1ccc2cc(Br)ccc2c1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000440753286 563749565 /nfs/dbraw/zinc/74/95/65/563749565.db2.gz ZCLFPHARCAMTAX-KRWDZBQOSA-N 1 0 395.322 2.976 20 0 GFADRO C[C@@H]1CN(S(=O)(=O)c2cc(Cl)c(Br)cc2F)[C@H](C)C[NH2+]1 ZINC000440760045 563749771 /nfs/dbraw/zinc/74/97/71/563749771.db2.gz NGYKHEQBFMZYCX-HTQZYQBOSA-N 1 0 385.686 2.613 20 0 GFADRO O=C([C@@H]1CC[N@@H+](Cc2cn3ccc(Br)cc3n2)C1)N1CCCC1 ZINC000291611427 563750002 /nfs/dbraw/zinc/75/00/02/563750002.db2.gz RAGUOCNWXQZKKM-CYBMUJFWSA-N 1 0 377.286 2.541 20 0 GFADRO O=C(Nc1ccc(I)cc1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000414684836 563750007 /nfs/dbraw/zinc/75/00/07/563750007.db2.gz WZCCKPUXZLAUQS-OAHLLOKOSA-N 1 0 385.249 2.899 20 0 GFADRO C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)Nc1ccc(I)cc1 ZINC000414683074 563750310 /nfs/dbraw/zinc/75/03/10/563750310.db2.gz SLNIFQCIUGIWDP-SKDRFNHKSA-N 1 0 389.237 2.526 20 0 GFADRO C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)Nc1cccc(I)c1 ZINC000414688638 563750440 /nfs/dbraw/zinc/75/04/40/563750440.db2.gz DKKLSOLJDFOJAI-JOYOIKCWSA-N 1 0 389.237 2.526 20 0 GFADRO Cc1c(S(=O)(=O)N2CCC[C@H](CC[NH3+])C2)cnn1-c1ccc(Cl)cc1 ZINC000440803189 563750477 /nfs/dbraw/zinc/75/04/77/563750477.db2.gz LWVSWDLQCRTDRX-CQSZACIVSA-N 1 0 382.917 2.584 20 0 GFADRO C[C@H]([NH2+]Cc1cc(C(F)(F)F)n[nH]1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000440804641 563750580 /nfs/dbraw/zinc/75/05/80/563750580.db2.gz HYGQFACCNQOCHZ-JTQLQIEISA-N 1 0 376.404 2.530 20 0 GFADRO O=C(CN1CCC[C@H]1C[N@H+]1CCC[C@H]1CO)Nc1cc(Cl)ccc1Cl ZINC000364354633 563750659 /nfs/dbraw/zinc/75/06/59/563750659.db2.gz AQRXUIHOZIZQGU-GJZGRUSLSA-N 1 0 386.323 2.853 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)N1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000414722200 563751154 /nfs/dbraw/zinc/75/11/54/563751154.db2.gz LEOZOJFMQVTBPZ-CYBMUJFWSA-N 1 0 382.302 2.977 20 0 GFADRO CC(C)C[C@H]([NH3+])CN1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC000414741620 563752065 /nfs/dbraw/zinc/75/20/65/563752065.db2.gz SGIOUQIXRAPYDX-ZDUSSCGKSA-N 1 0 394.368 2.673 20 0 GFADRO CCOC(=O)COc1c(Br)cc(C)cc1CNC1CC[NH2+]CC1 ZINC000414779631 563752950 /nfs/dbraw/zinc/75/29/50/563752950.db2.gz JSKRGMYPYYXAGP-UHFFFAOYSA-N 1 0 385.302 2.541 20 0 GFADRO [NH3+]CCNC(=O)Nc1nnc(SCc2c(Cl)cccc2Cl)s1 ZINC000414909709 563754324 /nfs/dbraw/zinc/75/43/24/563754324.db2.gz GNPMDFWOOKRAPJ-UHFFFAOYSA-N 1 0 378.310 3.217 20 0 GFADRO Cc1ccc(CNC(=O)C[NH+]2CCC(n3cc(Br)cn3)CC2)cc1 ZINC000364528415 563756199 /nfs/dbraw/zinc/75/61/99/563756199.db2.gz HDYPTVWUCGUQIB-UHFFFAOYSA-N 1 0 391.313 2.907 20 0 GFADRO C[C@@H](O)C[N@H+](CC(=O)N(C)CC(F)(F)F)[C@@H](C)Cc1ccc(Cl)cc1 ZINC000441270451 563756886 /nfs/dbraw/zinc/75/68/86/563756886.db2.gz UIFYRZFELRMPEZ-QWHCGFSZSA-N 1 0 380.838 2.975 20 0 GFADRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2nc(C3CC3)ncc2Br)C1 ZINC000291757076 563756956 /nfs/dbraw/zinc/75/69/56/563756956.db2.gz MFXMZXBIHHBZSS-JSGCOSHPSA-N 1 0 379.302 2.673 20 0 GFADRO O=C(NCc1cc(Cl)sc1Cl)C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000415016482 563757106 /nfs/dbraw/zinc/75/71/06/563757106.db2.gz CISMEMACUIAJSK-UHFFFAOYSA-N 1 0 384.288 2.956 20 0 GFADRO [NH3+][C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)c1nn(-c2ccc(F)cc2)cc1Br ZINC000364564262 563757698 /nfs/dbraw/zinc/75/76/98/563757698.db2.gz TWNOAHSSZJYTDF-UBSAEIQESA-N 1 0 393.260 2.868 20 0 GFADRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1nc(C2CC2)ncc1Br ZINC000291773608 563757890 /nfs/dbraw/zinc/75/78/90/563757890.db2.gz NXZYEOFEIMBLED-NWDGAFQWSA-N 1 0 381.318 2.967 20 0 GFADRO O=C(c1nc(C2CC2)ncc1Br)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000291793600 563758718 /nfs/dbraw/zinc/75/87/18/563758718.db2.gz PZDJYWHSACKAOC-CYBMUJFWSA-N 1 0 379.302 2.817 20 0 GFADRO O=S(=O)(NCC[NH2+]Cc1cc(F)cc(Cl)c1)c1ccc(F)cc1F ZINC000441364535 563759085 /nfs/dbraw/zinc/75/90/85/563759085.db2.gz HUJLJEDWLODSII-UHFFFAOYSA-N 1 0 378.803 2.825 20 0 GFADRO CN(C(=O)Nc1cc(F)c(I)c(F)c1)[C@H](C[NH3+])C1CC1 ZINC000415123642 563759643 /nfs/dbraw/zinc/75/96/43/563759643.db2.gz PYLDZWZRJNUQQQ-LLVKDONJSA-N 1 0 395.191 2.770 20 0 GFADRO Cc1cc(Br)cc(CN2CCCO[C@@H](C[NH3+])C2)c1OC(F)F ZINC000415112850 563759764 /nfs/dbraw/zinc/75/97/64/563759764.db2.gz SMWNAXGBRCRVQZ-ZDUSSCGKSA-N 1 0 379.245 2.909 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)Nc2ccc(Cl)cc2OCC(F)(F)F)CCCO1 ZINC000415166986 563761644 /nfs/dbraw/zinc/76/16/44/563761644.db2.gz FVWUYGXZUFZHNB-NSHDSACASA-N 1 0 381.782 2.863 20 0 GFADRO C[C@H](C[NH3+])N(C)C(=O)Nc1cc(Br)cnc1OCC(F)(F)F ZINC000415167865 563761849 /nfs/dbraw/zinc/76/18/49/563761849.db2.gz HLJTZULVBGGTDI-SSDOTTSWSA-N 1 0 385.184 2.596 20 0 GFADRO C[C@H]([NH3+])[C@H](C)NC(=O)Nc1cc(Br)cnc1OCC(F)(F)F ZINC000415179049 563761954 /nfs/dbraw/zinc/76/19/54/563761954.db2.gz UEMJYQUPXYSDDE-BQBZGAKWSA-N 1 0 385.184 2.642 20 0 GFADRO C[C@H](CC[NH3+])NC(=O)Nc1cc(Br)cnc1OCC(F)(F)F ZINC000415181695 563761958 /nfs/dbraw/zinc/76/19/58/563761958.db2.gz YDJWASSFTHSEJH-SSDOTTSWSA-N 1 0 385.184 2.644 20 0 GFADRO O=C(NCCCN1CC[NH2+]CC1)Nc1cc(F)ccc1SCC(F)F ZINC000415210676 563762555 /nfs/dbraw/zinc/76/25/55/563762555.db2.gz XDPIRJHJHVVHGC-UHFFFAOYSA-N 1 0 376.448 2.600 20 0 GFADRO [NH3+]CC1(NC(=O)Nc2cc(F)c(F)cc2I)CCCC1 ZINC000415238984 563763191 /nfs/dbraw/zinc/76/31/91/563763191.db2.gz NFDKXZDEFOHVAP-UHFFFAOYSA-N 1 0 395.191 2.962 20 0 GFADRO COC1(CO)CCN(C(=O)C2CC[NH+](Cc3ccc(Cl)s3)CC2)CC1 ZINC000364762334 563763249 /nfs/dbraw/zinc/76/32/49/563763249.db2.gz ZEUGIZQBJZMSBZ-UHFFFAOYSA-N 1 0 386.945 2.613 20 0 GFADRO [NH3+]C[C@@H]1CCN(C(=O)Nc2cc(I)ccc2Cl)C1 ZINC000415263137 563764687 /nfs/dbraw/zinc/76/46/87/563764687.db2.gz HGCIZFPSZVAELE-QMMMGPOBSA-N 1 0 379.629 2.757 20 0 GFADRO CCOc1c(Cl)cc(NC(=O)C(=O)N(C)CC[N@H+](C)C2CC2)cc1Cl ZINC000441941314 563765563 /nfs/dbraw/zinc/76/55/63/563765563.db2.gz ADHKPIJTDYLBMU-UHFFFAOYSA-N 1 0 388.295 2.883 20 0 GFADRO Cc1cnc(Br)c(NC(=O)NC[C@@H](C(C)C)[NH+]2CCN(C)CC2)c1 ZINC000291951906 563765979 /nfs/dbraw/zinc/76/59/79/563765979.db2.gz BRDIESVIGYFONS-HNNXBMFYSA-N 1 0 398.349 2.546 20 0 GFADRO COC(=O)c1ccc(S(=O)(=O)NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)cc1Cl ZINC000441967433 563766134 /nfs/dbraw/zinc/76/61/34/563766134.db2.gz GLSHXTPLIZEQRE-STQMWFEESA-N 1 0 388.917 2.525 20 0 GFADRO O=C(Nc1cccc(Cl)c1SCC(F)F)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000415296922 563766095 /nfs/dbraw/zinc/76/60/95/563766095.db2.gz DEHWAEHZRZYZJZ-VIFPVBQESA-N 1 0 377.844 2.504 20 0 GFADRO C[C@@H]1CN(C(=O)Nc2cccc(Oc3ncc(Br)cn3)c2)C[C@H]1[NH3+] ZINC000415302611 563766130 /nfs/dbraw/zinc/76/61/30/563766130.db2.gz NMVPBXKRQAPACE-QMTHXVAHSA-N 1 0 392.257 2.842 20 0 GFADRO CCN1CC[NH+](CCCCNC(=O)Nc2cc(C)cnc2Br)CC1 ZINC000291958304 563766150 /nfs/dbraw/zinc/76/61/50/563766150.db2.gz CHXWNZZEARXRIM-UHFFFAOYSA-N 1 0 398.349 2.692 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)Nc2cc(Br)ccc2N2CCCC2)CCCO1 ZINC000415299835 563766262 /nfs/dbraw/zinc/76/62/62/563766262.db2.gz NCFPHKZAXKMWAX-AWEZNQCLSA-N 1 0 397.317 2.631 20 0 GFADRO COC(=O)c1cc(Br)ccc1NC(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000415326766 563767496 /nfs/dbraw/zinc/76/74/96/563767496.db2.gz HWHWVJCBMBKRIO-GFCCVEGCSA-N 1 0 384.274 2.889 20 0 GFADRO COC(=O)c1cc(Br)ccc1NC(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000415338129 563768218 /nfs/dbraw/zinc/76/82/18/563768218.db2.gz VTHXRYDLYFEFSD-DMDPSCGWSA-N 1 0 396.285 2.745 20 0 GFADRO C[C@@H](CO)[N@@H+]1CCCN(Cc2ccc(Br)c3cccnc23)CC1 ZINC000364915146 563768696 /nfs/dbraw/zinc/76/86/96/563768696.db2.gz KOIBGNJKSBBXOD-AWEZNQCLSA-N 1 0 378.314 2.886 20 0 GFADRO C[C@@H](NC(=O)C(=O)Nc1cc(Cl)cc(Br)c1)[C@@H]1CCC[NH2+]C1 ZINC000415344996 563768847 /nfs/dbraw/zinc/76/88/47/563768847.db2.gz FKHJCRVPJJBCAO-NXEZZACHSA-N 1 0 388.693 2.545 20 0 GFADRO CO[C@H]1CCN(C(=O)Nc2cc(F)c(Br)cc2F)[C@H](C[NH3+])C1 ZINC000415347333 563768948 /nfs/dbraw/zinc/76/89/48/563768948.db2.gz CXWSRDYJJHVQRY-IUCAKERBSA-N 1 0 378.217 2.697 20 0 GFADRO C[C@H](NC(=O)C(=O)Nc1ccc(Cl)c(Br)c1)[C@@H]1CCC[NH2+]C1 ZINC000415353357 563769571 /nfs/dbraw/zinc/76/95/71/563769571.db2.gz LOBSRPOGTUMAQW-VHSXEESVSA-N 1 0 388.693 2.545 20 0 GFADRO C[C@@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+]CCn1cc(Br)cn1 ZINC000364958429 563770350 /nfs/dbraw/zinc/77/03/50/563770350.db2.gz ZGMTWBHOFRRPMU-RHSMWYFYSA-N 1 0 378.318 2.541 20 0 GFADRO Cn1cc([C@@H]2[C@H](CNC(=O)c3cc(Cl)cc(Cl)n3)CCC[N@@H+]2C)cn1 ZINC000364961067 563770380 /nfs/dbraw/zinc/77/03/80/563770380.db2.gz OABVAPNXXFCBPU-ZBEGNZNMSA-N 1 0 382.295 2.935 20 0 GFADRO COC(=O)c1cc(Br)cc(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c1 ZINC000292025780 563770539 /nfs/dbraw/zinc/77/05/39/563770539.db2.gz ZWBSFLMSTHMUOT-MLGOLLRUSA-N 1 0 395.297 2.792 20 0 GFADRO [NH3+]C[C@@H]1CCN(C(=O)C(=O)Nc2cc(Cl)ccc2SCC(F)(F)F)C1 ZINC000415359279 563770580 /nfs/dbraw/zinc/77/05/80/563770580.db2.gz VWXBJMFSVYZVRD-VIFPVBQESA-N 1 0 395.834 2.740 20 0 GFADRO C[NH2+][C@@H]1CCCN(C(=O)Nc2cnn(-c3ccccc3Br)c2)C1 ZINC000415359353 563770658 /nfs/dbraw/zinc/77/06/58/563770658.db2.gz WGKHBKASMZTTJM-GFCCVEGCSA-N 1 0 378.274 2.851 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)Nc2cccc(F)c2I)C1 ZINC000415361364 563770786 /nfs/dbraw/zinc/77/07/86/563770786.db2.gz MXZLVTHIOREWKI-DTWKUNHWSA-N 1 0 377.201 2.631 20 0 GFADRO C[C@@H]([NH3+])C1CCN(C(=O)C(=O)Nc2cccc(Br)c2Cl)CC1 ZINC000415375586 563771153 /nfs/dbraw/zinc/77/11/53/563771153.db2.gz FFIRBTGAWAXQSU-SECBINFHSA-N 1 0 388.693 2.627 20 0 GFADRO C[C@@H]1CCN(C(=O)Nc2cccc(F)c2I)C[C@H]1C[NH3+] ZINC000415365240 563771326 /nfs/dbraw/zinc/77/13/26/563771326.db2.gz UDYFXEPBLDJBCJ-NXEZZACHSA-N 1 0 391.228 2.879 20 0 GFADRO [NH3+][C@H]1CCC[C@H](NC(=O)Nc2cccc(F)c2I)C1 ZINC000415366837 563771383 /nfs/dbraw/zinc/77/13/83/563771383.db2.gz XAEFTZFIQDSEGC-IUCAKERBSA-N 1 0 377.201 2.822 20 0 GFADRO CN(Cc1nc(-c2c(F)cccc2F)cs1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000292042846 563771371 /nfs/dbraw/zinc/77/13/71/563771371.db2.gz AQRXFLVJKFZOJY-NSHDSACASA-N 1 0 387.477 2.554 20 0 GFADRO Cc1ccc(-c2csc(NC(=O)C(=O)N3CCC([C@H](C)[NH3+])CC3)n2)s1 ZINC000415375636 563771472 /nfs/dbraw/zinc/77/14/72/563771472.db2.gz FLFJTANSOJHIHY-NSHDSACASA-N 1 0 378.523 2.704 20 0 GFADRO CCCN(C(=O)C(=O)Nc1cccc(Br)c1Cl)[C@@H]1CC[NH2+]C1 ZINC000415395154 563772561 /nfs/dbraw/zinc/77/25/61/563772561.db2.gz RWXZUHKPRCVWLP-SNVBAGLBSA-N 1 0 388.693 2.642 20 0 GFADRO CCCN(C(=O)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[C@@H]1CC[NH2+]C1 ZINC000415396955 563772608 /nfs/dbraw/zinc/77/26/08/563772608.db2.gz VDMOPOSUZPREKU-LLVKDONJSA-N 1 0 377.794 2.898 20 0 GFADRO COC(=O)c1cc(NC(=O)N2CCC[C@H](C)[C@@H]2C[NH3+])ccc1Br ZINC000415414430 563773735 /nfs/dbraw/zinc/77/37/35/563773735.db2.gz ZODLWQGHTLXJHO-HZMBPMFUSA-N 1 0 384.274 2.827 20 0 GFADRO CC(C)N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H](C)CCCC[NH3+])c1 ZINC000292102777 563773935 /nfs/dbraw/zinc/77/39/35/563773935.db2.gz OPYVBLHAALVLKS-CYBMUJFWSA-N 1 0 389.949 2.616 20 0 GFADRO COc1cc(NC(=O)N2CC[C@@H](C)[C@H](C[NH3+])C2)cc(OC)c1Br ZINC000415417879 563774147 /nfs/dbraw/zinc/77/41/47/563774147.db2.gz WNLWCZZBYHZRDF-GHMZBOCLSA-N 1 0 386.290 2.915 20 0 GFADRO COCCOc1ccc(Br)cc1NC(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000415424418 563774156 /nfs/dbraw/zinc/77/41/56/563774156.db2.gz ITVZJQWDTHXSFA-WCQYABFASA-N 1 0 386.290 2.675 20 0 GFADRO COc1cc(NC(=O)N2CC[C@H](C)[C@@H](C[NH3+])C2)cc(OC)c1Br ZINC000415417883 563774167 /nfs/dbraw/zinc/77/41/67/563774167.db2.gz WNLWCZZBYHZRDF-QWRGUYRKSA-N 1 0 386.290 2.915 20 0 GFADRO Cc1ccc(-c2csc(NC(=O)C(=O)NCC[C@@H]3CCC[NH2+]C3)n2)s1 ZINC000415417549 563774242 /nfs/dbraw/zinc/77/42/42/563774242.db2.gz WACOSGWGSYOKSL-LBPRGKRZSA-N 1 0 378.523 2.624 20 0 GFADRO COCCOc1ccc(Br)cc1NC(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000415424673 563774366 /nfs/dbraw/zinc/77/43/66/563774366.db2.gz JERINUJARBSLPA-KRWDZBQOSA-N 1 0 398.301 2.692 20 0 GFADRO COCCOc1ccc(Br)cc1NC(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000415423731 563774420 /nfs/dbraw/zinc/77/44/20/563774420.db2.gz HCKPQCKBKMWQME-LBPRGKRZSA-N 1 0 386.290 2.595 20 0 GFADRO [NH3+]CC[C@H]1CCCN(C(=O)CCNC(=O)Nc2ccc(Br)cc2)C1 ZINC000442623264 563775948 /nfs/dbraw/zinc/77/59/48/563775948.db2.gz NSGUCEAXSIAKDN-CYBMUJFWSA-N 1 0 397.317 2.548 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(Cl)cc2Br)C1 ZINC000415447751 563776531 /nfs/dbraw/zinc/77/65/31/563776531.db2.gz QESDROLHYHGOJS-VHSXEESVSA-N 1 0 388.693 2.627 20 0 GFADRO Cc1csc(Sc2ccc(NC(=O)C(=O)NC[C@H]([NH3+])C(C)C)cc2)n1 ZINC000415462797 563776904 /nfs/dbraw/zinc/77/69/04/563776904.db2.gz PYLZVNISCPWVOC-AWEZNQCLSA-N 1 0 378.523 2.641 20 0 GFADRO COC(=O)c1cc(Br)c(F)cc1NC(=O)NCCC[NH2+]C1CC1 ZINC000415464006 563777051 /nfs/dbraw/zinc/77/70/51/563777051.db2.gz CHJAFZUMKHZQLT-UHFFFAOYSA-N 1 0 388.237 2.638 20 0 GFADRO COC(=O)c1cc(Br)c(F)cc1NC(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000415469089 563777711 /nfs/dbraw/zinc/77/77/11/563777711.db2.gz KVXZYLQBZQMJAP-RKDXNWHRSA-N 1 0 388.237 2.624 20 0 GFADRO Cc1cc(Br)cc(Cl)c1NC(=O)C(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000415469665 563777738 /nfs/dbraw/zinc/77/77/38/563777738.db2.gz XFGXOVIHDDZVKT-JOYOIKCWSA-N 1 0 388.693 2.545 20 0 GFADRO O=CN1CCC([NH2+][C@@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)CC1 ZINC000365206864 563777963 /nfs/dbraw/zinc/77/79/63/563777963.db2.gz WYTHVWWKOBPMLK-CYBMUJFWSA-N 1 0 376.810 2.543 20 0 GFADRO C[N@@H+]1CC[C@@]2(CCN(C(=O)c3cnn(-c4ccc(Br)cc4)c3)C2)C1 ZINC000292197410 563778075 /nfs/dbraw/zinc/77/80/75/563778075.db2.gz LODQBVPNGATHPK-GOSISDBHSA-N 1 0 389.297 2.803 20 0 GFADRO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)Nc1cccc(Cl)c1SCC(F)F ZINC000415485517 563779070 /nfs/dbraw/zinc/77/90/70/563779070.db2.gz DNCBGBQTJQURCU-SNVBAGLBSA-N 1 0 391.871 2.846 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)Nc1cc(Br)cnc1-n1cccn1 ZINC000415490193 563779095 /nfs/dbraw/zinc/77/90/95/563779095.db2.gz VORLVLJGSPNGQX-RISCZKNCSA-N 1 0 393.289 2.763 20 0 GFADRO C[NH2+]CC1CCN(C(=O)Nc2nnc(-c3c(F)cccc3Cl)s2)CC1 ZINC000415508435 563780467 /nfs/dbraw/zinc/78/04/67/563780467.db2.gz FTUBPGICJJPKJN-UHFFFAOYSA-N 1 0 383.880 3.461 20 0 GFADRO Cc1cc(Br)cc(NC(=O)N2C[C@@H](C[NH3+])C3(C2)CCOCC3)c1 ZINC000415522415 563781419 /nfs/dbraw/zinc/78/14/19/563781419.db2.gz DMQYRSCWASLRGP-CYBMUJFWSA-N 1 0 382.302 2.977 20 0 GFADRO COc1cc(C(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)cc(OC)c1Br ZINC000292285289 563781460 /nfs/dbraw/zinc/78/14/60/563781460.db2.gz LVVMVZPKAOAZMM-KRWDZBQOSA-N 1 0 383.286 2.634 20 0 GFADRO CC(C)n1cc([C@H](C)[NH2+]CCNS(=O)(=O)c2ccc(Cl)cc2F)cn1 ZINC000442873601 563781829 /nfs/dbraw/zinc/78/18/29/563781829.db2.gz RMYAPSNXMDFLLB-LBPRGKRZSA-N 1 0 388.896 2.886 20 0 GFADRO C[C@@H]1CN(C(=O)Nc2ccnn2Cc2ccccc2Br)CC[NH2+]1 ZINC000415524517 563782177 /nfs/dbraw/zinc/78/21/77/563782177.db2.gz SWSBLMXPMDRTAF-GFCCVEGCSA-N 1 0 378.274 2.520 20 0 GFADRO CC[C@@H]([NH3+])CNC(=O)Nc1nc2ccc(I)cc2s1 ZINC000415527477 563782632 /nfs/dbraw/zinc/78/26/32/563782632.db2.gz JALGEICNAJUURU-MRVPVSSYSA-N 1 0 390.250 2.760 20 0 GFADRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)Nc1ccnn1Cc1ccc(Br)cc1 ZINC000415526634 563782668 /nfs/dbraw/zinc/78/26/68/563782668.db2.gz JYCXBZGMBGJAGW-WFASDCNBSA-N 1 0 392.301 2.813 20 0 GFADRO C[C@@H]([NH2+]CCNS(=O)(=O)c1ccc(F)cc1F)c1cc(F)cc(F)c1 ZINC000442876452 563782952 /nfs/dbraw/zinc/78/29/52/563782952.db2.gz XTCKRMWFCOLWRW-SNVBAGLBSA-N 1 0 376.375 2.872 20 0 GFADRO COc1cc(OC)c(NC(=O)N[C@@H]2C[NH2+]CCC2(F)F)cc1Br ZINC000415530965 563783174 /nfs/dbraw/zinc/78/31/74/563783174.db2.gz VTWXCXDFUPLDCV-GFCCVEGCSA-N 1 0 394.216 2.585 20 0 GFADRO Cc1cc(F)c(Br)cc1NC(=O)C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000415541673 563784032 /nfs/dbraw/zinc/78/40/32/563784032.db2.gz OHJQOXYFQHVUIN-FOSCPWQOSA-N 1 0 398.276 2.577 20 0 GFADRO C[C@@H]1CN(C(=O)C(=O)Nc2cccnc2-c2ccc(Cl)s2)[C@@H](C)C[NH2+]1 ZINC000415550515 563784459 /nfs/dbraw/zinc/78/44/59/563784459.db2.gz COIXEQZGKYDTHW-MNOVXSKESA-N 1 0 378.885 2.611 20 0 GFADRO [NH3+]CCCCNC(=O)C(=O)Nc1ccc(Br)c(Cl)c1Cl ZINC000415566831 563784709 /nfs/dbraw/zinc/78/47/09/563784709.db2.gz NDACAFYQYHCJIC-UHFFFAOYSA-N 1 0 383.073 2.550 20 0 GFADRO CC[NH2+]CCNC(=O)Nc1cc(OC)c(Br)cc1Br ZINC000415579314 563785000 /nfs/dbraw/zinc/78/50/00/563785000.db2.gz CJENQBCMWQUUFO-UHFFFAOYSA-N 1 0 395.095 2.951 20 0 GFADRO COc1cc(I)ccc1NC(=O)N[C@H](C[NH3+])C(C)(C)C ZINC000415775582 563796169 /nfs/dbraw/zinc/79/61/69/563796169.db2.gz VBPZSOAOGJIOAL-GFCCVEGCSA-N 1 0 391.253 2.795 20 0 GFADRO C[C@H](Oc1cccc(Cl)c1Cl)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000442959583 563786074 /nfs/dbraw/zinc/78/60/74/563786074.db2.gz ADROJXBRHJPPQO-ZDUSSCGKSA-N 1 0 388.339 2.903 20 0 GFADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1cc(Cl)cc(Br)c1F ZINC000365523523 563786221 /nfs/dbraw/zinc/78/62/21/563786221.db2.gz QYYQFFHYZSDVHR-WDEREUQCSA-N 1 0 391.668 2.835 20 0 GFADRO COc1ccc(NC(=O)N[C@H](C)CCC[NH3+])c(I)c1 ZINC000415599902 563786993 /nfs/dbraw/zinc/78/69/93/563786993.db2.gz SETCWIYIXSHOMN-SECBINFHSA-N 1 0 377.226 2.549 20 0 GFADRO O=C(Nc1cc(Cl)cc(C(F)(F)F)c1)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000415605763 563787416 /nfs/dbraw/zinc/78/74/16/563787416.db2.gz QSVXIOAQKYQZNR-OAHLLOKOSA-N 1 0 375.778 2.509 20 0 GFADRO COC(=O)c1cccc(NC(=O)N2CC[C@@H](C)C[C@@H]2C[NH3+])c1Br ZINC000415617595 563787989 /nfs/dbraw/zinc/78/79/89/563787989.db2.gz VIZOAKPEQWAPLN-GHMZBOCLSA-N 1 0 384.274 2.827 20 0 GFADRO COC(=O)c1cc(F)c(Br)cc1NC(=O)N[C@@H](C[NH3+])CC(C)C ZINC000415630264 563788663 /nfs/dbraw/zinc/78/86/63/563788663.db2.gz CIYKBPRZKQEPAS-SECBINFHSA-N 1 0 390.253 2.870 20 0 GFADRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)Nc1cccc(Cl)c1SCC(F)F ZINC000415621950 563788880 /nfs/dbraw/zinc/78/88/80/563788880.db2.gz KIJZAMWPPSLGDZ-SKDRFNHKSA-N 1 0 391.871 2.750 20 0 GFADRO C[C@@H](NC(=O)Nc1cc(Br)cc(C(=O)N2CCCC2)c1)[C@H](C)[NH3+] ZINC000415632822 563789354 /nfs/dbraw/zinc/78/93/54/563789354.db2.gz GVSJSQYKUITIIO-WDEREUQCSA-N 1 0 383.290 2.542 20 0 GFADRO [NH3+]CCN(CCO)C(=O)Nc1cccnc1Oc1ccc(Cl)cc1Cl ZINC000415637182 563789400 /nfs/dbraw/zinc/78/94/00/563789400.db2.gz ZNTSFLWDKWTSKE-UHFFFAOYSA-N 1 0 385.251 2.966 20 0 GFADRO O=C1[C@@H]([NH2+]Cc2c[nH]c3nccnc23)CCN1c1cccc(Br)c1 ZINC000365660674 563790883 /nfs/dbraw/zinc/79/08/83/563790883.db2.gz HHUUBAPWOMIYHL-AWEZNQCLSA-N 1 0 386.253 2.567 20 0 GFADRO C[C@]1(C[NH3+])CCN(C(=O)C(=O)Nc2cccc(Cl)c2SCC(F)F)C1 ZINC000415682061 563791182 /nfs/dbraw/zinc/79/11/82/563791182.db2.gz ATCAQXJTQOJILU-MRXNPFEDSA-N 1 0 391.871 2.833 20 0 GFADRO COC[C@]1(CNC(=O)Nc2ccc(Cl)cc2OCC(F)F)CCC[NH2+]1 ZINC000415730496 563793312 /nfs/dbraw/zinc/79/33/12/563793312.db2.gz UBEYWWGDHVXMJQ-MRXNPFEDSA-N 1 0 377.819 2.874 20 0 GFADRO Cc1cc(NC(=O)C(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)ccc1Br ZINC000415766290 563794951 /nfs/dbraw/zinc/79/49/51/563794951.db2.gz SBOVQIRYTHSXNQ-AWEZNQCLSA-N 1 0 394.313 2.544 20 0 GFADRO COc1ccc(Cl)cc1NC(=O)[C@H](C)N1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000365869559 563795424 /nfs/dbraw/zinc/79/54/24/563795424.db2.gz NUSXOEJIKSQLGL-DZGCQCFKSA-N 1 0 383.945 2.799 20 0 GFADRO O=C(Nc1ccc(Cl)cc1C(F)(F)F)C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000415773260 563795587 /nfs/dbraw/zinc/79/55/87/563795587.db2.gz VPIUPYOBGJNJKN-SKDRFNHKSA-N 1 0 375.778 2.508 20 0 GFADRO COc1cc(I)ccc1NC(=O)N1CCC(C[NH3+])CC1 ZINC000415771518 563795629 /nfs/dbraw/zinc/79/56/29/563795629.db2.gz HUWZOVOUOCVUDT-UHFFFAOYSA-N 1 0 389.237 2.502 20 0 GFADRO O=C(NCCC[C@@H]1CCC[NH2+]1)C(=O)Nc1ccc(Br)cc1Cl ZINC000415810378 563797672 /nfs/dbraw/zinc/79/76/72/563797672.db2.gz WUVITKYNEONGAG-NSHDSACASA-N 1 0 388.693 2.689 20 0 GFADRO [NH3+][C@H]1CCC[C@@H](CNC(=O)C(=O)Nc2ccc(C(F)(F)F)cc2Cl)C1 ZINC000415805853 563797759 /nfs/dbraw/zinc/79/77/59/563797759.db2.gz JOPRCUODGZRLLR-KOLCDFICSA-N 1 0 377.794 2.931 20 0 GFADRO NC(=O)C[C@H]([NH2+]Cc1cc(Br)c2c(c1)OCCO2)c1ccccc1 ZINC000292969262 563798202 /nfs/dbraw/zinc/79/82/02/563798202.db2.gz KDQQRDNBSJTZFI-HNNXBMFYSA-N 1 0 391.265 2.927 20 0 GFADRO Cc1c(Br)cccc1NC(=O)C(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000415815682 563798423 /nfs/dbraw/zinc/79/84/23/563798423.db2.gz GFXOZACVUNBGFN-ZIAGYGMSSA-N 1 0 394.313 2.544 20 0 GFADRO C[C@H](C[NH3+])NC(=O)Nc1cnn(Cc2ccc(Br)cc2Cl)c1 ZINC000415819708 563798516 /nfs/dbraw/zinc/79/85/16/563798516.db2.gz JJOKKGJACPGQAC-SECBINFHSA-N 1 0 386.681 2.816 20 0 GFADRO [NH3+]C[C@@H]1CC[C@H](NC(=O)C(=O)Nc2cccc(Cl)c2SCC(F)F)C1 ZINC000415841974 563798836 /nfs/dbraw/zinc/79/88/36/563798836.db2.gz RDKZKLQIZCZZLX-ZJUUUORDSA-N 1 0 391.871 2.879 20 0 GFADRO Cc1cc(Br)cc(Cl)c1NC(=O)C(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000415833496 563798972 /nfs/dbraw/zinc/79/89/72/563798972.db2.gz KCRQDXDKUULZJQ-KOLCDFICSA-N 1 0 388.693 2.593 20 0 GFADRO CC(C)Sc1c(Cl)cccc1NC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000415891199 563800151 /nfs/dbraw/zinc/80/01/51/563800151.db2.gz JOXWIONLSSMBPW-QWHCGFSZSA-N 1 0 381.929 2.847 20 0 GFADRO [NH3+]Cc1ccc(NC(=O)NC[C@H](CO)Cc2cccc(Br)c2)cc1 ZINC000415960341 563800876 /nfs/dbraw/zinc/80/08/76/563800876.db2.gz PYGRBOGKLXZMBW-OAHLLOKOSA-N 1 0 392.297 2.881 20 0 GFADRO [NH3+]CC[C@@H](NC(=O)N[C@H]1CCCN(c2ccccc2Cl)C1)C(F)(F)F ZINC000416012924 563802254 /nfs/dbraw/zinc/80/22/54/563802254.db2.gz SWJOXDXBSQMYFJ-SMDDNHRTSA-N 1 0 378.826 2.888 20 0 GFADRO C[C@@H](Cc1ccccc1Br)NC(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000416019547 563802658 /nfs/dbraw/zinc/80/26/58/563802658.db2.gz ZZZMKCUPKUQKSU-JOYOIKCWSA-N 1 0 382.224 2.959 20 0 GFADRO CC[C@@](C)(COc1ncccc1Cl)NC(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000416029338 563803350 /nfs/dbraw/zinc/80/33/50/563803350.db2.gz LEMBNMIEGMMWSK-FZMZJTMJSA-N 1 0 382.814 2.861 20 0 GFADRO COCC[NH2+]CC(=O)N1CCCC[C@H]1C(=O)Nc1cc(Cl)ccc1Cl ZINC000366340152 563805524 /nfs/dbraw/zinc/80/55/24/563805524.db2.gz UUCZPCDIWMKSLA-HNNXBMFYSA-N 1 0 388.295 2.549 20 0 GFADRO CC[N@@H+]1CCc2c(cccc2[N-]S(=O)(=O)c2ccsc2C(=O)OC)C1 ZINC000366367262 563806268 /nfs/dbraw/zinc/80/62/68/563806268.db2.gz RWLJUZJDFIMGLR-UHFFFAOYSA-N 1 0 380.491 2.714 20 0 GFADRO COCC[N@H+](C)CCCNC(=O)C1(c2cc(Br)ccc2OC)CC1 ZINC000416139486 563806479 /nfs/dbraw/zinc/80/64/79/563806479.db2.gz WUQFMGSVMWNRAX-UHFFFAOYSA-N 1 0 399.329 2.574 20 0 GFADRO O=C(NCc1ccccc1C[N@H+]1CC[C@H](O)C1)c1c(Cl)cncc1Cl ZINC000293321589 563808082 /nfs/dbraw/zinc/80/80/82/563808082.db2.gz AEIIREDRJGPAHK-AWEZNQCLSA-N 1 0 380.275 2.885 20 0 GFADRO CCc1ncsc1NC(=O)C(=O)NC[C@H]1CC[N@H+](C)[C@H]1c1cccs1 ZINC000366455124 563808798 /nfs/dbraw/zinc/80/87/98/563808798.db2.gz YNAMMRQPDGNUEU-BXUZGUMPSA-N 1 0 378.523 2.515 20 0 GFADRO C[C@@H](NC(=O)NC[C@H](O)C[NH+]1CCCCC1)c1ccc(Br)s1 ZINC000443737707 563811047 /nfs/dbraw/zinc/81/10/47/563811047.db2.gz PJWVXKWZKPORFD-NEPJUHHUSA-N 1 0 390.347 2.718 20 0 GFADRO Cc1ccc(-n2cnnc2SCC(=O)NCC2([NH+](C)C)CC2)cc1Cl ZINC000416291104 563813985 /nfs/dbraw/zinc/81/39/85/563813985.db2.gz OBDWWRUXSUOOMH-UHFFFAOYSA-N 1 0 379.917 2.532 20 0 GFADRO COc1ccc(Br)cc1C(=O)CCC(=O)NCC1([NH+](C)C)CC1 ZINC000416290788 563814307 /nfs/dbraw/zinc/81/43/07/563814307.db2.gz NBCSQOAUCXNLSX-UHFFFAOYSA-N 1 0 383.286 2.631 20 0 GFADRO C[C@H](OC[C@@H](O)CN1CC[NH+]([C@@H]2CCSC2)CC1)c1ccc(Cl)cc1 ZINC000366661906 563816996 /nfs/dbraw/zinc/81/69/96/563816996.db2.gz HEJYNKSAIYZFOB-IPELMVKDSA-N 1 0 384.973 2.902 20 0 GFADRO O=S(=O)(CCN1CC[C@H]([C@@H]2CCOC2)C1)c1cccc(Br)c1 ZINC000366658390 563817066 /nfs/dbraw/zinc/81/70/66/563817066.db2.gz SUVFWNSURNDWCN-UONOGXRCSA-N 1 0 388.327 2.581 20 0 GFADRO COC(=O)c1c(Cl)cccc1S(=O)(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000416373403 563819066 /nfs/dbraw/zinc/81/90/66/563819066.db2.gz QXCZITOODDUVEZ-ZDUSSCGKSA-N 1 0 388.917 2.527 20 0 GFADRO COc1cc(OC)c(S(=O)(=O)NCC[N@H+](C)C2CCCCC2)cc1Cl ZINC000416386698 563821123 /nfs/dbraw/zinc/82/11/23/563821123.db2.gz ITTHKVTUWSWTKK-UHFFFAOYSA-N 1 0 390.933 2.900 20 0 GFADRO O=C(NC[C@@H](c1ccc(Cl)cc1)N1CCc2sccc2C1)[C@H]1CC[NH2+]1 ZINC000444177537 563823228 /nfs/dbraw/zinc/82/32/28/563823228.db2.gz XGJKGPWOMQYUEY-SJORKVTESA-N 1 0 375.925 2.979 20 0 GFADRO COCCN(CC[NH+](C)C)C(=O)c1ccc(Br)c(Cl)c1F ZINC000444175185 563823380 /nfs/dbraw/zinc/82/33/80/563823380.db2.gz JGIYLYFVLNIUJV-UHFFFAOYSA-N 1 0 381.673 2.892 20 0 GFADRO Nc1cc[nH+]cc1C(=O)NC[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000444184995 563823454 /nfs/dbraw/zinc/82/34/54/563823454.db2.gz PRZOZGUGAZDVQV-LBPRGKRZSA-N 1 0 375.270 2.513 20 0 GFADRO CC[NH+]1CCC(CCNS(=O)(=O)c2cccc(Cl)c2C(=O)OC)CC1 ZINC000416404684 563823609 /nfs/dbraw/zinc/82/36/09/563823609.db2.gz ARWMTCMEEGZCDT-UHFFFAOYSA-N 1 0 388.917 2.527 20 0 GFADRO Nc1cc[nH+]cc1C(=O)NC[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000444161037 563823630 /nfs/dbraw/zinc/82/36/30/563823630.db2.gz NDFYVOYHJKNYHG-GFCCVEGCSA-N 1 0 375.270 2.513 20 0 GFADRO [NH3+]C1C[C@H]2CCC[C@@H](C1)N2S(=O)(=O)c1ccc(Br)cc1F ZINC000366939505 563825014 /nfs/dbraw/zinc/82/50/14/563825014.db2.gz YCXBBZBMQJQGDW-YOGCLGLASA-N 1 0 377.279 2.621 20 0 GFADRO Nc1cc[nH+]cc1C(=O)NC1CCN(Cc2ccc(Br)cc2)CC1 ZINC000444267976 563826190 /nfs/dbraw/zinc/82/61/90/563826190.db2.gz NLFHHSPOBQTIEQ-UHFFFAOYSA-N 1 0 389.297 2.651 20 0 GFADRO Cc1cc(S(=O)(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c(F)cc1Br ZINC000416419245 563826679 /nfs/dbraw/zinc/82/66/79/563826679.db2.gz SAFXSSCGJWSBCS-NEPJUHHUSA-N 1 0 391.306 2.754 20 0 GFADRO Nc1nccc([C@H]2CCC[N@H+](C[C@H](O)c3cccc(Br)c3)C2)n1 ZINC000366984012 563826871 /nfs/dbraw/zinc/82/68/71/563826871.db2.gz UDJZYSSNMFYBLH-BBRMVZONSA-N 1 0 377.286 2.734 20 0 GFADRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)c3cn4cc(Cl)cc(Cl)c4n3)[C@H]2C1 ZINC000293886955 563827458 /nfs/dbraw/zinc/82/74/58/563827458.db2.gz LMOSYJXXANNDOM-LSDHHAIUSA-N 1 0 383.279 2.576 20 0 GFADRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)c3c[nH]c4cccc(Br)c34)[C@H]2C1 ZINC000293888969 563827617 /nfs/dbraw/zinc/82/76/17/563827617.db2.gz LOANNMJVGDYREA-JKSUJKDBSA-N 1 0 392.297 2.866 20 0 GFADRO C[C@@H](O)C[N@H+](C)C1CCN(C(=O)[C@@H](C)Oc2ccc(Br)cc2)CC1 ZINC000444354290 563829607 /nfs/dbraw/zinc/82/96/07/563829607.db2.gz UIUPDNXWOBNBGW-ZIAGYGMSSA-N 1 0 399.329 2.520 20 0 GFADRO O=C(c1n[nH]c2ccc(Br)cc21)N1CCN[C@@H](c2ccncc2)C1 ZINC000367083024 563829792 /nfs/dbraw/zinc/82/97/92/563829792.db2.gz CHGKGWHDAFGQEO-OAHLLOKOSA-N 1 0 386.253 2.507 20 0 GFADRO O=C(CN1C(=S)N=NC1c1cccs1)NCCCCC[NH+]1CCCC1 ZINC000294019917 563830076 /nfs/dbraw/zinc/83/00/76/563830076.db2.gz VOKTZLIVJQZJNE-UHFFFAOYSA-N 1 0 379.555 2.678 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2cc(Cl)c(OC)cc2OC)C[C@H]1C ZINC000416459898 563832359 /nfs/dbraw/zinc/83/23/59/563832359.db2.gz KYBVJXKQSHFBQL-CHWSQXEVSA-N 1 0 390.933 2.851 20 0 GFADRO COC(=O)c1c(Cl)cccc1S(=O)(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000416469284 563833870 /nfs/dbraw/zinc/83/38/70/563833870.db2.gz DCELDPVZDFPVQY-OLZOCXBDSA-N 1 0 388.917 2.525 20 0 GFADRO C[N@@H+]1CCC[C@]2(CCN(C(=O)c3ccccc3I)C2)C1 ZINC000294257499 563835852 /nfs/dbraw/zinc/83/58/52/563835852.db2.gz SWLGZBNBRNKQOS-INIZCTEOSA-N 1 0 384.261 2.849 20 0 GFADRO O=C(C[N@H+]1CC[C@@H](CC(F)(F)F)C1)N1CCN(Cc2cccs2)CC1 ZINC000444706846 563835874 /nfs/dbraw/zinc/83/58/74/563835874.db2.gz OWUXNRSMWNDHNV-AWEZNQCLSA-N 1 0 375.460 2.667 20 0 GFADRO Cc1ccc(C[NH2+]C[C@@H]2CCC[C@]23NC(=O)N(C)C3=O)cc1Br ZINC000367209614 563836274 /nfs/dbraw/zinc/83/62/74/563836274.db2.gz SKWWCOMYSODTEV-GUYCJALGSA-N 1 0 380.286 2.568 20 0 GFADRO CC[C@H](C)[C@@H](NC(=O)C[NH2+][C@@H](C)c1ccc(Br)s1)C(=O)OC ZINC000444763799 563836706 /nfs/dbraw/zinc/83/67/06/563836706.db2.gz VLRKDEMIRUCKOI-PKFCDNJMSA-N 1 0 391.331 2.865 20 0 GFADRO CCN1CC[C@H]([NH2+]C[C@@H](C)CS(C)(=O)=O)[C@H]1c1ccc(Cl)c(F)c1 ZINC000367259219 563838645 /nfs/dbraw/zinc/83/86/45/563838645.db2.gz UXEJXUFWVKRUHK-OAUYIBNBSA-N 1 0 376.925 2.885 20 0 GFADRO CS(=O)(=O)N1CC[C@@H](C[N@@H+]2CC[C@H](c3cccc(C(F)(F)F)c3)C2)C1 ZINC000367273505 563838957 /nfs/dbraw/zinc/83/89/57/563838957.db2.gz DKFMEFWUYFQDJP-ZFWWWQNUSA-N 1 0 376.444 2.776 20 0 GFADRO O=S(=O)(NCC1CC[NH+](C2CC2)CC1)c1ccc(C(F)(F)F)cc1F ZINC000445071757 563842514 /nfs/dbraw/zinc/84/25/14/563842514.db2.gz PNVIOZHFBZIDBR-UHFFFAOYSA-N 1 0 380.407 2.997 20 0 GFADRO CS(=O)(=O)[C@@H]1CCC[C@@H]([NH2+]CCCNc2ccc(C(F)(F)F)cn2)C1 ZINC000294480388 563843752 /nfs/dbraw/zinc/84/37/52/563843752.db2.gz ZYBYNOPLHUBBEZ-ZIAGYGMSSA-N 1 0 379.448 2.848 20 0 GFADRO CC(C)[NH+]1CCN([C@H]2CCN(c3nc(C(Cl)(Cl)Cl)ns3)C2)CC1 ZINC000367431456 563844361 /nfs/dbraw/zinc/84/43/61/563844361.db2.gz WCHNBUBAXJMEDM-NSHDSACASA-N 1 0 398.791 2.970 20 0 GFADRO CC[C@@H]([NH2+]C1CCC(CS(C)(=O)=O)CC1)[C@@H](O)c1c(F)cccc1F ZINC000294638085 563849359 /nfs/dbraw/zinc/84/93/59/563849359.db2.gz GCMZCJZNJWPDDY-ZBIUXTHTSA-N 1 0 375.481 2.970 20 0 GFADRO C[N@@H+]1CC[C@H]2CCN(C(=O)Nc3ccccc3I)C[C@H]21 ZINC000367583116 563849512 /nfs/dbraw/zinc/84/95/12/563849512.db2.gz REGHEVZHHZAMAA-SMDDNHRTSA-N 1 0 385.249 2.849 20 0 GFADRO CCc1ccc([C@H](CNC(=O)c2c(Br)cnn2C)[NH+](C)C)cc1 ZINC000294649256 563849816 /nfs/dbraw/zinc/84/98/16/563849816.db2.gz BVFABEUCAJBAOM-HNNXBMFYSA-N 1 0 379.302 2.778 20 0 GFADRO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)c2occc2Br)cc1 ZINC000367595184 563850137 /nfs/dbraw/zinc/85/01/37/563850137.db2.gz WJAMNAHXIFRONJ-ZFWWWQNUSA-N 1 0 379.254 2.926 20 0 GFADRO C[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2cccnc2Cl)[C@H]1c1cccs1 ZINC000367621273 563850570 /nfs/dbraw/zinc/85/05/70/563850570.db2.gz ANOVLYQUXBICFN-FZMZJTMJSA-N 1 0 378.885 2.544 20 0 GFADRO C[N@H+](CCOc1cc(F)cc(Br)c1)C1(CCO)CCOCC1 ZINC000445818801 563854157 /nfs/dbraw/zinc/85/41/57/563854157.db2.gz MIUQSYUOCZAXHQ-UHFFFAOYSA-N 1 0 376.266 2.830 20 0 GFADRO CN(CCS(=O)(=O)c1ccc(Br)cc1)CC1([NH+](C)C)CCC1 ZINC000445863762 563855161 /nfs/dbraw/zinc/85/51/61/563855161.db2.gz OLYGTIISCSLJGK-UHFFFAOYSA-N 1 0 389.359 2.639 20 0 GFADRO C[C@@H]1CCC[C@](CNC(=O)Cc2cc[nH]c(=O)c2Br)([NH+](C)C)C1 ZINC000446110477 563858961 /nfs/dbraw/zinc/85/89/61/563858961.db2.gz YFUMTGYTOJPSRW-PXAZEXFGSA-N 1 0 384.318 2.719 20 0 GFADRO Cc1cc(C(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)nn1-c1ccc(Br)cc1 ZINC000367988798 563861471 /nfs/dbraw/zinc/86/14/71/563861471.db2.gz UZCJGOCLHPDXEA-KGLIPLIRSA-N 1 0 389.297 2.625 20 0 GFADRO COc1ccc(Br)c(CC(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000368023811 563862038 /nfs/dbraw/zinc/86/20/38/563862038.db2.gz UYXJSLFPEAABOF-CXAGYDPISA-N 1 0 381.314 2.991 20 0 GFADRO Ic1cnc(CN2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@@H]3C2)s1 ZINC000368019488 563862088 /nfs/dbraw/zinc/86/20/88/563862088.db2.gz SDDYKGHTHFYBIH-IJLUTSLNSA-N 1 0 389.306 2.664 20 0 GFADRO C[C@@H](NC(=O)N1CC[C@H](N2CC[NH2+]CC2)C1)c1cc(F)c(Cl)cc1Cl ZINC000416852942 563862318 /nfs/dbraw/zinc/86/23/18/563862318.db2.gz STUWLMFOIAMFFY-NEPJUHHUSA-N 1 0 389.302 2.883 20 0 GFADRO Cn1ccnc1Sc1ncc(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)cc1Cl ZINC000446362329 563863146 /nfs/dbraw/zinc/86/31/46/563863146.db2.gz HVRWSEITBHMUGZ-BETUJISGSA-N 1 0 377.901 2.586 20 0 GFADRO O=C(Nc1nnc(-c2cc(Br)ccc2F)s1)[C@H]1C[C@H](F)C[NH2+]1 ZINC000446382686 563863200 /nfs/dbraw/zinc/86/32/00/563863200.db2.gz OEJGTJOBNPRTFA-OIBJUYFYSA-N 1 0 389.225 2.745 20 0 GFADRO O=C(c1ccc(Cl)s1)N1CCC(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)CC1 ZINC000446375322 563863582 /nfs/dbraw/zinc/86/35/82/563863582.db2.gz XJJMZDNUONBAJL-OKILXGFUSA-N 1 0 381.929 2.607 20 0 GFADRO C[C@@H]([NH2+][C@@H]1CCc2nc[nH]c2C1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000368103595 563863935 /nfs/dbraw/zinc/86/39/35/563863935.db2.gz XEQZJBOHQIDAIK-RKDXNWHRSA-N 1 0 389.308 2.572 20 0 GFADRO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000368144781 563865107 /nfs/dbraw/zinc/86/51/07/563865107.db2.gz DVKUTRFDGAEFOY-AWEZNQCLSA-N 1 0 391.265 2.736 20 0 GFADRO Cc1c(C(=O)N[C@@H]2CC23CC[NH2+]CC3)cnn1-c1cccc(Br)c1 ZINC000368138983 563865111 /nfs/dbraw/zinc/86/51/11/563865111.db2.gz AIUUFPKLKUJUJV-MRXNPFEDSA-N 1 0 389.297 2.815 20 0 GFADRO O=C(c1nn(-c2ccc(F)cc2)cc1Br)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000368169692 563865690 /nfs/dbraw/zinc/86/56/90/563865690.db2.gz ZCWDQTQCQPEMAE-NHYWBVRUSA-N 1 0 393.260 2.598 20 0 GFADRO O=C(NCCC[NH2+]Cc1cccnc1)NCc1cc(Br)ccc1F ZINC000417064179 563866922 /nfs/dbraw/zinc/86/69/22/563866922.db2.gz JDEQZJPOCUGOFK-UHFFFAOYSA-N 1 0 395.276 2.962 20 0 GFADRO O=S(=O)(N[C@H]1CC12CC[NH2+]CC2)c1ccc(Cl)c(Br)c1 ZINC000368319927 563868401 /nfs/dbraw/zinc/86/84/01/563868401.db2.gz ZKZWGPPHLBTTHX-LBPRGKRZSA-N 1 0 379.707 2.523 20 0 GFADRO O[C@H](COCC(F)(F)F)C[NH+]1CCC(COc2ccc(Cl)nc2)CC1 ZINC000368392995 563869882 /nfs/dbraw/zinc/86/98/82/563869882.db2.gz MEUSUGZTANKCLV-ZDUSSCGKSA-N 1 0 382.810 2.766 20 0 GFADRO O=C1[C@@H](N2CC[NH+]([C@@H]3CCSC3)CC2)CCN1c1ccc(F)c(Cl)c1 ZINC000368469476 563871782 /nfs/dbraw/zinc/87/17/82/563871782.db2.gz ZXIFZMRIFJQJNO-PBHICJAKSA-N 1 0 383.920 2.708 20 0 GFADRO O=C1CC[C@@H]([NH2+]Cc2cc(Br)c3c(c2)OCCCO3)[C@@H](C2CC2)N1 ZINC000368500715 563872487 /nfs/dbraw/zinc/87/24/87/563872487.db2.gz YFUPRBPTVZTSBK-RHSMWYFYSA-N 1 0 395.297 2.757 20 0 GFADRO CC[N@H+](C)CCNS(=O)(=O)c1cc(Br)cc(C(F)(F)F)c1 ZINC000447026212 563872660 /nfs/dbraw/zinc/87/26/60/563872660.db2.gz GSGKZKLTPSCCSP-UHFFFAOYSA-N 1 0 389.237 2.698 20 0 GFADRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)NCCOc3cccc(Br)c3)C[C@H]21 ZINC000417204674 563873283 /nfs/dbraw/zinc/87/32/83/563873283.db2.gz GALPDRXCBSVYTH-APHBMKBZSA-N 1 0 382.302 2.597 20 0 GFADRO [NH3+][C@@H]1CCC[C@H](NC(=O)NC[C@H]2CCN(c3cccc(Br)c3)C2)C1 ZINC000417256987 563875343 /nfs/dbraw/zinc/87/53/43/563875343.db2.gz BXMWRMPETYMAPO-BMFZPTHFSA-N 1 0 395.345 2.845 20 0 GFADRO CC(C)C[C@@H](C[NH3+])NC(=O)NC[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000417268015 563875761 /nfs/dbraw/zinc/87/57/61/563875761.db2.gz YPKKIYXSRHRHAS-ZBFHGGJFSA-N 1 0 397.361 2.948 20 0 GFADRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)NCCc3cc(Br)ccc3F)C[C@H]21 ZINC000417293465 563877578 /nfs/dbraw/zinc/87/75/78/563877578.db2.gz FOWVLWIGUBQSLD-JGGQBBKZSA-N 1 0 384.293 2.900 20 0 GFADRO C[C@@H]1[NH2+]CCN(C(=O)NCc2cc(Br)ccc2OC(F)F)[C@H]1C ZINC000417398013 563879309 /nfs/dbraw/zinc/87/93/09/563879309.db2.gz ALQKLBCJAPQTPN-UWVGGRQHSA-N 1 0 392.244 2.942 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)NCc2cc(Br)ccc2OC(F)F)C1 ZINC000417407724 563879374 /nfs/dbraw/zinc/87/93/74/563879374.db2.gz NQQNQLOACCHURC-NXEZZACHSA-N 1 0 392.244 2.929 20 0 GFADRO C[C@H]1CN(C(=O)NCc2cc(Br)ccc2OC(F)F)CC[C@H]1[NH3+] ZINC000417415158 563879801 /nfs/dbraw/zinc/87/98/01/563879801.db2.gz XGJRMEFFCCFVLO-JOYOIKCWSA-N 1 0 392.244 2.929 20 0 GFADRO Cc1cn2c(n1)CC[C@H]([NH2+][C@@H](C)C(=O)Nc1ccc(Br)cc1)C2 ZINC000368844668 563879950 /nfs/dbraw/zinc/87/99/50/563879950.db2.gz HVUCOXCDRDCABS-WFASDCNBSA-N 1 0 377.286 2.886 20 0 GFADRO COc1cc(Br)c(CNC(=O)N(C)CC(C)(C)C[NH3+])cc1OC ZINC000417446332 563880443 /nfs/dbraw/zinc/88/04/43/563880443.db2.gz KTVQYNYLKNXQPV-UHFFFAOYSA-N 1 0 388.306 2.593 20 0 GFADRO CCCN(C(=O)N[C@@H]1CCN(c2ccc(Br)cc2)C1)[C@H]1CC[NH2+]C1 ZINC000417475850 563880729 /nfs/dbraw/zinc/88/07/29/563880729.db2.gz BSQZZUXGOCHIAD-WBVHZDCISA-N 1 0 395.345 2.811 20 0 GFADRO [NH3+]C1CCC(NC(=O)N[C@H]2CCN(c3ccc(Br)cc3)C2)CC1 ZINC000417481810 563880870 /nfs/dbraw/zinc/88/08/70/563880870.db2.gz OMOAYUFSODBZMM-NRXISQOPSA-N 1 0 381.318 2.597 20 0 GFADRO O=C(NCCC[NH2+]Cc1cccnc1)NCc1ccc(Br)cc1 ZINC000417542428 563882100 /nfs/dbraw/zinc/88/21/00/563882100.db2.gz JVOVWUOAEXOXFO-UHFFFAOYSA-N 1 0 377.286 2.823 20 0 GFADRO C[NH2+][C@@H]1CCN(C(=O)NC2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)C1 ZINC000417568258 563884059 /nfs/dbraw/zinc/88/40/59/563884059.db2.gz KEGJZQLGIAMPQF-OAHLLOKOSA-N 1 0 385.339 2.961 20 0 GFADRO O=C(NCCC[NH2+]Cc1cccnc1)NCCc1ccc(Br)cc1 ZINC000417709696 563887340 /nfs/dbraw/zinc/88/73/40/563887340.db2.gz ZZOCRAGNHUCEFA-UHFFFAOYSA-N 1 0 391.313 2.866 20 0 GFADRO C[C@H]1[NH2+]CCN(C(=O)NCCOc2ncc(C(F)(F)F)cc2Cl)[C@@H]1C ZINC000417739666 563888023 /nfs/dbraw/zinc/88/80/23/563888023.db2.gz QQOGTBUSHXGIPD-NXEZZACHSA-N 1 0 380.798 2.524 20 0 GFADRO C[C@H]1CN(C(=O)NCCOc2ncc(C(F)(F)F)cc2Cl)CC[C@@H]1[NH3+] ZINC000417738331 563888081 /nfs/dbraw/zinc/88/80/81/563888081.db2.gz OYBNPSOPJNOERE-CABZTGNLSA-N 1 0 380.798 2.511 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2cc(OC)c(OC)cc2Cl)C[C@H]1C ZINC000447868265 563888748 /nfs/dbraw/zinc/88/87/48/563888748.db2.gz IUSDLFZLGXVDAQ-CHWSQXEVSA-N 1 0 390.933 2.851 20 0 GFADRO C[NH+]1CCC2(CCCN2C(=O)C2(c3cncc(Br)c3)CC2)CC1 ZINC000369182781 563889596 /nfs/dbraw/zinc/88/95/96/563889596.db2.gz INRDAVIAZMNSKK-UHFFFAOYSA-N 1 0 378.314 2.963 20 0 GFADRO C[C@H](CNC(=O)NCC[C@H]1CCC[NH2+]C1)Oc1cccc(Br)c1 ZINC000417804070 563889751 /nfs/dbraw/zinc/88/97/51/563889751.db2.gz YQPMHIRVNDZIBN-ZIAGYGMSSA-N 1 0 384.318 2.905 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)NC[C@@H](C)Oc2ccccc2Br)C1 ZINC000417837747 563890260 /nfs/dbraw/zinc/89/02/60/563890260.db2.gz XUAFHLSERKIVLE-MCIONIFRSA-N 1 0 384.318 2.985 20 0 GFADRO O=S(=O)(NCC[NH2+]Cc1ccnn1-c1ccccc1)c1ccc(Cl)s1 ZINC000447898094 563890451 /nfs/dbraw/zinc/89/04/51/563890451.db2.gz RRVXULXECGYSJG-UHFFFAOYSA-N 1 0 396.925 2.655 20 0 GFADRO COCC[NH2+]CCNC(=O)NCc1cc(Cl)cc(Cl)c1OC(F)F ZINC000417884713 563890792 /nfs/dbraw/zinc/89/07/92/563890792.db2.gz SUOSZHOJPMSKEE-UHFFFAOYSA-N 1 0 386.226 2.630 20 0 GFADRO Cc1cc(Br)ccc1C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000369277324 563890986 /nfs/dbraw/zinc/89/09/86/563890986.db2.gz LGVIWLSDWZQLIE-OAHLLOKOSA-N 1 0 380.330 2.656 20 0 GFADRO C[C@H](Cc1ccc(F)c(Br)c1)NC(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000417896697 563891087 /nfs/dbraw/zinc/89/10/87/563891087.db2.gz HXYYCMVDOMGJFX-AXAPSJFSSA-N 1 0 384.293 2.913 20 0 GFADRO COCCn1cc(C[N@@H+]2CC[C@@H](Nc3cccc(Br)c3)C2)cn1 ZINC000369291453 563891285 /nfs/dbraw/zinc/89/12/85/563891285.db2.gz ZWCLRLOSTOBSOK-QGZVFWFLSA-N 1 0 379.302 2.978 20 0 GFADRO COC[C@]1(CNC(=O)NCC(C)(C)c2ccccc2Br)CCC[NH2+]1 ZINC000417913529 563891475 /nfs/dbraw/zinc/89/14/75/563891475.db2.gz QLDBHUJHCBHGON-GOSISDBHSA-N 1 0 398.345 2.795 20 0 GFADRO Cc1cc(Br)ccc1C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000369277323 563891464 /nfs/dbraw/zinc/89/14/64/563891464.db2.gz LGVIWLSDWZQLIE-HNNXBMFYSA-N 1 0 380.330 2.656 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)c1cnn(CCN2CCOCC2)c1 ZINC000369316994 563891922 /nfs/dbraw/zinc/89/19/22/563891922.db2.gz HZTIXVZNUWTGQH-UHFFFAOYSA-N 1 0 393.285 2.539 20 0 GFADRO CN1CC[C@H](NC(=O)N[C@@H](CC[NH3+])C(F)F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000417940028 563892091 /nfs/dbraw/zinc/89/20/91/563892091.db2.gz KWIAOMSBAPBWBB-IHRRRGAJSA-N 1 0 378.826 2.506 20 0 GFADRO C[C@@H](CCC[NH3+])NC(=O)NCCCOc1ncc(C(F)(F)F)cc1Cl ZINC000417954028 563892181 /nfs/dbraw/zinc/89/21/81/563892181.db2.gz FABXTPORPPUFKP-JTQLQIEISA-N 1 0 382.814 2.949 20 0 GFADRO [NH3+][C@@H]1C[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1ccc(Br)c(Cl)c1 ZINC000369321904 563892661 /nfs/dbraw/zinc/89/26/61/563892661.db2.gz NVLIVFROIFYKHC-OWUUHHOZSA-N 1 0 379.707 2.745 20 0 GFADRO O=C(NCCCOc1ncc(C(F)(F)F)cc1Cl)N[C@@H]1CCC[NH2+]C1 ZINC000417959147 563892866 /nfs/dbraw/zinc/89/28/66/563892866.db2.gz LMISLTNPYFYXSA-LLVKDONJSA-N 1 0 380.798 2.574 20 0 GFADRO CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)N[C@H]1CC[NH2+][C@@H](C)C1 ZINC000417986725 563893693 /nfs/dbraw/zinc/89/36/93/563893693.db2.gz OBMLCVZVPHTPJE-APYUEPQZSA-N 1 0 384.318 2.965 20 0 GFADRO COc1cc(Br)ccc1CCCNC(=O)NCC[C@H]1CC[NH2+]C1 ZINC000417997727 563894397 /nfs/dbraw/zinc/89/43/97/563894397.db2.gz GBTXWMJBTRGRCU-CYBMUJFWSA-N 1 0 384.318 2.689 20 0 GFADRO COc1cc(Br)ccc1CCCNC(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000418003127 563894654 /nfs/dbraw/zinc/89/46/54/563894654.db2.gz MQAZRMFLAMWQBV-WFASDCNBSA-N 1 0 384.318 2.817 20 0 GFADRO CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000418003511 563894685 /nfs/dbraw/zinc/89/46/85/563894685.db2.gz YKJQDPSCWUAYQM-VZAMPYOESA-N 1 0 384.318 2.952 20 0 GFADRO C[NH2+]C[C@H]1CCCN1C(=O)NCCc1c[nH]c2ccc(Br)cc12 ZINC000418009261 563895225 /nfs/dbraw/zinc/89/52/25/563895225.db2.gz UGCQIOZLOXSBRO-CQSZACIVSA-N 1 0 379.302 2.866 20 0 GFADRO CO[C@@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)N(C)C1CC[NH2+]CC1 ZINC000418006234 563895249 /nfs/dbraw/zinc/89/52/49/563895249.db2.gz ZNQRREDDHZAMRJ-MLGOLLRUSA-N 1 0 384.318 2.919 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)NCc1cc(Br)cc2c1OCC2 ZINC000418020400 563895637 /nfs/dbraw/zinc/89/56/37/563895637.db2.gz ZWVKAGPPLXPNNW-NHYWBVRUSA-N 1 0 382.302 2.795 20 0 GFADRO CCCOC[C@H](Cc1cccc(Br)c1)NC(=O)NC[C@@H]([NH3+])C1CC1 ZINC000418035042 563896516 /nfs/dbraw/zinc/89/65/16/563896516.db2.gz UMPANGQRZVPVHI-DLBZAZTESA-N 1 0 398.345 2.823 20 0 GFADRO CCCOC[C@H](Cc1cccc(Br)c1)NC(=O)N1CCC([NH3+])CC1 ZINC000418031895 563896557 /nfs/dbraw/zinc/89/65/57/563896557.db2.gz OZPYWFDAFRHAHS-KRWDZBQOSA-N 1 0 398.345 2.920 20 0 GFADRO CO[C@@H]1CCN(C(=O)N[C@@H](C)c2ccc(Br)s2)[C@@H](C[NH3+])C1 ZINC000418059340 563897000 /nfs/dbraw/zinc/89/70/00/563897000.db2.gz NJMIGSMUBWQBKN-HBNTYKKESA-N 1 0 376.320 2.719 20 0 GFADRO CCn1c(CNC(=O)N2CC[NH2+]C(C)(C)C2)nc2cc(Br)ccc21 ZINC000418067832 563897249 /nfs/dbraw/zinc/89/72/49/563897249.db2.gz PIBYJSJNBZOCAN-UHFFFAOYSA-N 1 0 394.317 2.712 20 0 GFADRO O=C(N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000418081130 563897681 /nfs/dbraw/zinc/89/76/81/563897681.db2.gz NPRDNGDDGOFEOD-UMVBOHGHSA-N 1 0 383.323 2.823 20 0 GFADRO [NH3+][C@@H](CNC(=O)N[C@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O)C1CC1 ZINC000418078392 563897864 /nfs/dbraw/zinc/89/78/64/563897864.db2.gz JFXPUSCUCILXPO-KBPBESRZSA-N 1 0 385.295 2.525 20 0 GFADRO [NH3+]C1CCN(C(=O)N[C@@H]2CCCN(c3ccc(Cl)cc3Cl)C2=O)CC1 ZINC000418082560 563898157 /nfs/dbraw/zinc/89/81/57/563898157.db2.gz QMBPBKBPSZYFAT-CQSZACIVSA-N 1 0 385.295 2.622 20 0 GFADRO [NH3+]CC1CCN(C(=O)NCc2cnn(-c3ccc(Br)cc3)c2)CC1 ZINC000418091263 563898522 /nfs/dbraw/zinc/89/85/22/563898522.db2.gz PHKZLYAFLZXVEP-UHFFFAOYSA-N 1 0 392.301 2.515 20 0 GFADRO O=C(N[C@H]1CCN(c2cccc(Br)c2)C1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000418106093 563898909 /nfs/dbraw/zinc/89/89/09/563898909.db2.gz WVJIYSXXBCUILM-XHSDSOJGSA-N 1 0 393.329 2.564 20 0 GFADRO CN(CC(C)(C)C[NH3+])C(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000418097741 563898931 /nfs/dbraw/zinc/89/89/31/563898931.db2.gz LHTOQWKDABFJPD-CQSZACIVSA-N 1 0 383.334 2.654 20 0 GFADRO [NH3+]C1(CNC(=O)NCCCCn2cc(Br)cn2)CCCCCC1 ZINC000418099558 563898943 /nfs/dbraw/zinc/89/89/43/563898943.db2.gz BZSYNPRWVFYMPT-UHFFFAOYSA-N 1 0 386.338 2.777 20 0 GFADRO O=C(NCCCCn1cc(Br)cn1)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000418109559 563898953 /nfs/dbraw/zinc/89/89/53/563898953.db2.gz URWDBDJPVKARJV-INIZCTEOSA-N 1 0 398.349 2.599 20 0 GFADRO C[C@H](CCc1ccc(I)cc1)NC(=O)NCC[C@H](C)[NH3+] ZINC000418116020 563899400 /nfs/dbraw/zinc/89/94/00/563899400.db2.gz QHUIRLHVJYTSGU-NWDGAFQWSA-N 1 0 389.281 2.649 20 0 GFADRO O=C(Cc1sccc1Br)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000448715897 563900220 /nfs/dbraw/zinc/90/02/20/563900220.db2.gz HPKLUOALRISIJD-UHFFFAOYSA-N 1 0 387.343 2.624 20 0 GFADRO C[NH2+]C[C@H]1CCCN(C(=O)N[C@H]2COc3cc(F)c(Br)cc32)C1 ZINC000418152175 563900309 /nfs/dbraw/zinc/90/03/09/563900309.db2.gz HLWRHOLJZHSFJZ-YGRLFVJLSA-N 1 0 386.265 2.663 20 0 GFADRO C[C@@H]1CCN(C(=O)NCc2cc(F)c(F)cc2Br)C[C@H]1C[NH3+] ZINC000418188404 563900734 /nfs/dbraw/zinc/90/07/34/563900734.db2.gz WTPILZFRNUYANP-MWLCHTKSSA-N 1 0 376.245 2.854 20 0 GFADRO COc1cc[nH+]c(N2CCN(C(=O)Cc3sccc3Br)CC2)c1 ZINC000448915496 563903025 /nfs/dbraw/zinc/90/30/25/563903025.db2.gz ZZFGNTIRCAWJGC-UHFFFAOYSA-N 1 0 396.310 2.806 20 0 GFADRO COCC[N@@H+]1CC[C@@H](NC(=O)c2cc(Cl)c(Br)cc2F)C1 ZINC000448931152 563903451 /nfs/dbraw/zinc/90/34/51/563903451.db2.gz AQHZNBAQPSBPMC-SECBINFHSA-N 1 0 379.657 2.692 20 0 GFADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)Cc3cc(Br)ccc3C)C2)CC1 ZINC000448925043 563903454 /nfs/dbraw/zinc/90/34/54/563903454.db2.gz LKSNRBBFKHQBOI-GOSISDBHSA-N 1 0 394.357 2.538 20 0 GFADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[N@H+](CCCCO)C1CC1 ZINC000449034404 563905766 /nfs/dbraw/zinc/90/57/66/563905766.db2.gz JKZDSHKCJSCEIT-CYBMUJFWSA-N 1 0 399.329 2.699 20 0 GFADRO O[C@@H](C[NH2+]Cc1cccc(F)c1Br)COc1ccc2c(c1)OCO2 ZINC000449096405 563906589 /nfs/dbraw/zinc/90/65/89/563906589.db2.gz HJBPYCXRBQZBEK-LBPRGKRZSA-N 1 0 398.228 2.846 20 0 GFADRO COCC(=O)N1CCC([NH2+][C@@H]2CCc3c2ccc(F)c3Br)CC1 ZINC000449130679 563906911 /nfs/dbraw/zinc/90/69/11/563906911.db2.gz HFFRZHYFWAHCJF-OAHLLOKOSA-N 1 0 385.277 2.803 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]C[C@H]1CCC[C@H]1OC ZINC000449212290 563908308 /nfs/dbraw/zinc/90/83/08/563908308.db2.gz ZQVFIIIQOQVEOS-WOSRLPQWSA-N 1 0 399.329 2.867 20 0 GFADRO CN(C)C(=O)[C@@H]1CC[C@H](C[NH2+]Cc2ccnc3c(Br)cccc23)O1 ZINC000449203823 563908337 /nfs/dbraw/zinc/90/83/37/563908337.db2.gz LFTRVCRUFOTQQM-CJNGLKHVSA-N 1 0 392.297 2.723 20 0 GFADRO COC(=O)c1nn(-c2ccc(Cl)c(Cl)c2)cc1C[NH2+]C1(CO)CCC1 ZINC000449250674 564177928 /nfs/dbraw/zinc/17/79/28/564177928.db2.gz MEENUPLCNBWVRW-UHFFFAOYSA-N 1 0 384.263 2.970 20 0 GFADRO COc1ccc([C@H](C)[NH2+]C[C@@H](O)CS(=O)(=O)c2cccs2)cc1Cl ZINC000537951324 564178565 /nfs/dbraw/zinc/17/85/65/564178565.db2.gz IGVAGZZYGGNSRT-WCQYABFASA-N 1 0 389.926 2.896 20 0 GFADRO CC(C)N1C[C@H]([NH2+][C@H](C)CC(=O)Nc2ccc(Br)cc2)CC1=O ZINC000537980683 564179401 /nfs/dbraw/zinc/17/94/01/564179401.db2.gz IMVGLCUSRKORAK-IUODEOHRSA-N 1 0 382.302 2.765 20 0 GFADRO C[C@H](CC(=O)N(C)c1ccccc1)[NH2+]CCn1cc(Br)ccc1=O ZINC000449381107 564182909 /nfs/dbraw/zinc/18/29/09/564182909.db2.gz XSPAWTOOIVWPLS-CQSZACIVSA-N 1 0 392.297 2.642 20 0 GFADRO Cc1ccccc1NC(=O)C[C@@H](C)[NH2+]CCn1cc(Br)ccc1=O ZINC000449379003 564183249 /nfs/dbraw/zinc/18/32/49/564183249.db2.gz SCVVBUMSHNNHCI-CQSZACIVSA-N 1 0 392.297 2.926 20 0 GFADRO O=c1ccc(Br)cn1CC[NH2+]Cc1cc(Cl)c2c(c1)OCCO2 ZINC000449376234 564183414 /nfs/dbraw/zinc/18/34/14/564183414.db2.gz KTZMJNWSTNDKOZ-UHFFFAOYSA-N 1 0 399.672 2.825 20 0 GFADRO CNS(=O)(=O)c1cccc2c1CCN(CCSCc1ccccc1)C2 ZINC000563291601 564184367 /nfs/dbraw/zinc/18/43/67/564184367.db2.gz QDEAKUWLQIUKRP-UHFFFAOYSA-N 1 0 376.547 2.886 20 0 GFADRO C[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)N1CCC(CC[NH3+])CC1 ZINC000563302150 564185613 /nfs/dbraw/zinc/18/56/13/564185613.db2.gz FIMHGLDGRXEUJE-GFCCVEGCSA-N 1 0 386.323 2.628 20 0 GFADRO C[C@@H]1CN(CCOC2CCN(c3ncccc3Br)CC2)C[C@H](C)O1 ZINC000563306512 564185739 /nfs/dbraw/zinc/18/57/39/564185739.db2.gz NHDUNBNMOUQEQT-GASCZTMLSA-N 1 0 398.345 2.939 20 0 GFADRO COC(=O)c1ccc(C[N@@H+]2C[C@H](O)C[C@@H]2[C@H]2CCCOC2)c(Br)c1 ZINC000449432402 564187081 /nfs/dbraw/zinc/18/70/81/564187081.db2.gz HIEWBEOTWBDLEK-ZMSDIMECSA-N 1 0 398.297 2.598 20 0 GFADRO CCOc1cc(C[NH2+]C[C@H]2CCOC[C@@H]2OC)cc(Br)c1OC ZINC000449455185 564187150 /nfs/dbraw/zinc/18/71/50/564187150.db2.gz LCXHJAFKWKQCRC-CJNGLKHVSA-N 1 0 388.302 2.998 20 0 GFADRO CO[C@@H]1COCC[C@H]1C[NH2+]Cc1c(Br)cncc1Br ZINC000449462637 564187858 /nfs/dbraw/zinc/18/78/58/564187858.db2.gz URODLYFECVKNQL-TVQRCGJNSA-N 1 0 394.107 2.748 20 0 GFADRO O[C@@H](C[NH2+][C@H]1CCCc2c3cc(Br)ccc3[nH]c21)Cn1ccnn1 ZINC000563360872 564188300 /nfs/dbraw/zinc/18/83/00/564188300.db2.gz YIYAYXCOSGSEMP-LRDDRELGSA-N 1 0 390.285 2.550 20 0 GFADRO O=C(CNC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)Nc1cc(Cl)ccc1Cl ZINC000505709753 564188593 /nfs/dbraw/zinc/18/85/93/564188593.db2.gz VUSJEEYFRITOCN-HIFRSBDPSA-N 1 0 385.295 2.858 20 0 GFADRO COCC(COC)[NH2+]Cc1cc(Br)cc(Br)c1N ZINC000449542101 564189792 /nfs/dbraw/zinc/18/97/92/564189792.db2.gz LUTDFZGEDGMXOS-UHFFFAOYSA-N 1 0 382.096 2.545 20 0 GFADRO C[C@H]1C[C@H](NC(=O)C2(c3cccc(Br)c3)CC(=O)C2)C[N@@H+]1C1CC1 ZINC000538388512 564190218 /nfs/dbraw/zinc/19/02/18/564190218.db2.gz GAJLYVZGVSVSPB-WFASDCNBSA-N 1 0 391.309 2.791 20 0 GFADRO O=C1NC(=O)[C@@H]2C[N@H+](Cc3ccc(-c4ccccc4Br)cc3)C[C@H]12 ZINC000449518491 564190339 /nfs/dbraw/zinc/19/03/39/564190339.db2.gz AGUOIGJLVDPURC-IYBDPMFKSA-N 1 0 385.261 2.821 20 0 GFADRO C[C@H]1CN(C(=O)c2cc(I)ccc2Cl)[C@@H](C)C[NH2+]1 ZINC000505812151 564190933 /nfs/dbraw/zinc/19/09/33/564190933.db2.gz LLANBYKEFGXGNX-IUCAKERBSA-N 1 0 378.641 2.767 20 0 GFADRO COc1ccc(C[C@@H](CO)C[NH2+][C@@H](C)CCn2cccn2)cc1Br ZINC000449597122 564191160 /nfs/dbraw/zinc/19/11/60/564191160.db2.gz DASYRZRZXLHKSL-GOEBONIOSA-N 1 0 396.329 2.874 20 0 GFADRO O=S(=O)(NC1CC[NH+](C[C@@H]2CCC3(CCCC3)O2)CC1)c1cccs1 ZINC000563457076 564192303 /nfs/dbraw/zinc/19/23/03/564192303.db2.gz IAGWWCLUGKFRHM-INIZCTEOSA-N 1 0 384.567 2.983 20 0 GFADRO Cc1cc(C)n2c(CNc3cc(N(C)C)c(Br)c[nH+]3)cnc2n1 ZINC000449648184 564192952 /nfs/dbraw/zinc/19/29/52/564192952.db2.gz QHSYHUQRQVXKAT-UHFFFAOYSA-N 1 0 375.274 3.182 20 0 GFADRO C[N@H+](CC(=O)N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1)[C@H]1CCSC1 ZINC000471423595 564194871 /nfs/dbraw/zinc/19/48/71/564194871.db2.gz HWBPCGBVMBYANC-SLEUVZQESA-N 1 0 387.318 2.998 20 0 GFADRO O=C(NCCC[NH+]1CCCC1)c1cc(Br)cnc1OCC1CC1 ZINC000506016577 564195274 /nfs/dbraw/zinc/19/52/74/564195274.db2.gz JHUXSMPFILBHAR-UHFFFAOYSA-N 1 0 382.302 2.849 20 0 GFADRO O=c1cc(C[N@@H+]2CCC[C@@H]2C2CCOCC2)nc2ccc(Br)cn12 ZINC000538628343 564195361 /nfs/dbraw/zinc/19/53/61/564195361.db2.gz SFUBDPZUENGMTR-MRXNPFEDSA-N 1 0 392.297 2.848 20 0 GFADRO COCCn1cc(C[NH2+]C[C@@H](CO)Cc2cccc(Br)c2C)cn1 ZINC000449685298 564196617 /nfs/dbraw/zinc/19/66/17/564196617.db2.gz SAGPAEHCBNTULU-HNNXBMFYSA-N 1 0 396.329 2.541 20 0 GFADRO CC1(C)C[NH2+]CC[C@@H]1NC(=O)c1cc(F)ccc1I ZINC000449695268 564197283 /nfs/dbraw/zinc/19/72/83/564197283.db2.gz DXIJXYFXPWNPKE-LBPRGKRZSA-N 1 0 376.213 2.548 20 0 GFADRO CC1(C)C[NH2+]CC[C@H]1NC(=O)c1cnn(-c2cccc(Br)c2)c1 ZINC000449708864 564197783 /nfs/dbraw/zinc/19/77/83/564197783.db2.gz WUEZSPQYEPMMSF-OAHLLOKOSA-N 1 0 377.286 2.753 20 0 GFADRO O=C(N[C@@H]1CCOc2c(Br)cccc21)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000563592404 564197904 /nfs/dbraw/zinc/19/79/04/564197904.db2.gz HTWACUINIAIWON-TYNCELHUSA-N 1 0 380.286 2.524 20 0 GFADRO [NH3+]CC[C@H](NC(=O)[C@@H]1CCN(c2cc(Cl)ccc2Cl)C1=O)C(F)(F)F ZINC000449721754 564198751 /nfs/dbraw/zinc/19/87/51/564198751.db2.gz OZJBEMAJBWTZKA-CABZTGNLSA-N 1 0 398.212 2.742 20 0 GFADRO C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000449723148 564198781 /nfs/dbraw/zinc/19/87/81/564198781.db2.gz QTEQDZBYTGLUKS-XVKPBYJWSA-N 1 0 386.201 2.508 20 0 GFADRO CCc1nc(C(=O)N[C@@H]2CC[C@H](C[NH3+])C2)nn1-c1c(Cl)cccc1Cl ZINC000449724321 564198855 /nfs/dbraw/zinc/19/88/55/564198855.db2.gz YCPJRHSDBBTVBK-WDEREUQCSA-N 1 0 382.295 2.994 20 0 GFADRO Cc1c(C(=O)N[C@H]2CC[NH2+]C2(C)C)cnn1-c1cccc(Br)c1 ZINC000449753091 564199285 /nfs/dbraw/zinc/19/92/85/564199285.db2.gz NPQCAHAEONCNRE-HNNXBMFYSA-N 1 0 377.286 2.814 20 0 GFADRO CN(CC1(c2ccc(Br)cc2)CC1)C(=O)NCCOCC[NH+](C)C ZINC000471633499 564200111 /nfs/dbraw/zinc/20/01/11/564200111.db2.gz BCASPYBJOOXLSE-UHFFFAOYSA-N 1 0 398.345 2.700 20 0 GFADRO C[NH+](C)CCOCCNC(=O)Nc1cc(Cl)ccc1OCC(F)(F)F ZINC000471642808 564201250 /nfs/dbraw/zinc/20/12/50/564201250.db2.gz MUCOCSRGQOKLBY-UHFFFAOYSA-N 1 0 383.798 2.981 20 0 GFADRO CN(C)C(=O)CC[NH+]1CCN([C@@H]2CCCc3ccc(Br)cc32)CC1 ZINC000538782274 564201631 /nfs/dbraw/zinc/20/16/31/564201631.db2.gz DCIYEZJBNKZZOG-GOSISDBHSA-N 1 0 394.357 2.922 20 0 GFADRO CCCN(Cc1ccccc1Br)C(=O)NCCOCC[NH+](C)C ZINC000471656488 564201738 /nfs/dbraw/zinc/20/17/38/564201738.db2.gz CEWXNOWTQORZEC-UHFFFAOYSA-N 1 0 386.334 2.949 20 0 GFADRO C[NH+](C)CCOCCNC(=O)N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000471653823 564201753 /nfs/dbraw/zinc/20/17/53/564201753.db2.gz LLNKWVZUQARCKQ-MRXNPFEDSA-N 1 0 390.311 2.655 20 0 GFADRO C[C@H]1C[N@H+](CCO)CCN1Cc1csc(COc2ccc(Cl)cc2)n1 ZINC000449787740 564202301 /nfs/dbraw/zinc/20/23/01/564202301.db2.gz WGGSUKCLQPFRGT-AWEZNQCLSA-N 1 0 381.929 2.874 20 0 GFADRO O=C(Nc1cc(Br)ccn1)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000563723973 564204061 /nfs/dbraw/zinc/20/40/61/564204061.db2.gz JRFACNADNQEBRM-CQSZACIVSA-N 1 0 383.290 2.563 20 0 GFADRO COC(=O)C(C)(C)CC[NH2+][C@@H](C)C(=O)N(C)Cc1ccc(Br)cc1 ZINC000506656425 564208142 /nfs/dbraw/zinc/20/81/42/564208142.db2.gz YCGWMDQUBIQPBA-ZDUSSCGKSA-N 1 0 399.329 2.975 20 0 GFADRO Cc1c(I)cccc1C(=O)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000471953670 564208186 /nfs/dbraw/zinc/20/81/86/564208186.db2.gz KFGMFPREUJTRFC-BONVTDFDSA-N 1 0 384.261 2.812 20 0 GFADRO COCC[C@@H]([NH2+]CCN(C)S(=O)(=O)c1cccs1)c1ccc(F)cc1 ZINC000539053587 564208780 /nfs/dbraw/zinc/20/87/80/564208780.db2.gz SOBBBTSLJXOQPL-MRXNPFEDSA-N 1 0 386.514 2.875 20 0 GFADRO CC[C@H]1CN(C(=O)Cc2sccc2Br)CC[N@@H+]1CCOC ZINC000449929609 564209608 /nfs/dbraw/zinc/20/96/08/564209608.db2.gz SPDCCSULAABXNC-LBPRGKRZSA-N 1 0 375.332 2.622 20 0 GFADRO Cc1ccsc1[C@H](CO)[NH2+][C@@H](C)c1cccc(N2CCCS2(=O)=O)c1 ZINC000539120256 564210244 /nfs/dbraw/zinc/21/02/44/564210244.db2.gz LSFPEZVVWHBELH-YOEHRIQHSA-N 1 0 380.535 2.981 20 0 GFADRO COc1cc(Br)c(C(=O)N2CC[N@H+](C)C[C@@H]2C(C)C)cc1OC ZINC000449959345 564210583 /nfs/dbraw/zinc/21/05/83/564210583.db2.gz LIRGVNMHAUBSCK-CQSZACIVSA-N 1 0 385.302 2.879 20 0 GFADRO COc1cc(Br)ccc1[C@@H](C)NC(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000563875454 564210836 /nfs/dbraw/zinc/21/08/36/564210836.db2.gz RIWJLYJZWLULFE-PXAZEXFGSA-N 1 0 382.302 2.914 20 0 GFADRO CN1CCOC[C@@H]1C(=O)N(CCC[NH+](C)C)Cc1ccc(Cl)c(Cl)c1 ZINC000506743404 564211034 /nfs/dbraw/zinc/21/10/34/564211034.db2.gz LWULJGDTIVFBHD-QGZVFWFLSA-N 1 0 388.339 2.604 20 0 GFADRO C[C@@H]([NH2+]C[C@@H](c1ccc(Cl)cc1)N(C)C)c1cccc(S(N)(=O)=O)c1 ZINC000539214835 564213136 /nfs/dbraw/zinc/21/31/36/564213136.db2.gz CYUJPDVKVQMJJZ-ACJLOTCBSA-N 1 0 381.929 2.941 20 0 GFADRO C/C=C\C[C@H](CO)[NH2+]Cc1cc(I)c(OC)c(OC)c1 ZINC000472152378 564214561 /nfs/dbraw/zinc/21/45/61/564214561.db2.gz FXJZKIUCOYCRPY-QMAVJUDZSA-N 1 0 391.249 2.725 20 0 GFADRO Cc1cc(NC(=O)CC[NH2+]C[C@@H](C)Oc2ccc(Br)cc2)no1 ZINC000563952795 564214902 /nfs/dbraw/zinc/21/49/02/564214902.db2.gz TYPVSJHSNKXZIZ-GFCCVEGCSA-N 1 0 382.258 3.131 20 0 GFADRO C[C@@H]([NH2+]CCOc1cccc(S(C)(=O)=O)c1)c1ccc([S@](C)=O)cc1 ZINC000539369017 564217651 /nfs/dbraw/zinc/21/76/51/564217651.db2.gz YFPHBYUSIPYFHV-SHACYNPGSA-N 1 0 381.519 2.557 20 0 GFADRO O=C(NCCC[NH+]1CCCC1)N[C@H]1COc2cc(F)c(Br)cc21 ZINC000507076732 564217945 /nfs/dbraw/zinc/21/79/45/564217945.db2.gz FGKMLTWIERBFPY-AWEZNQCLSA-N 1 0 386.265 2.807 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2ccc(S(=O)(=O)CC)s2)C[C@@H]1C ZINC000472277453 564217956 /nfs/dbraw/zinc/21/79/56/564217956.db2.gz PMRQGIUBKYPXNN-KBPBESRZSA-N 1 0 387.571 2.556 20 0 GFADRO Cc1ccc(C(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)c(Cl)c1Cl ZINC000450149532 564218858 /nfs/dbraw/zinc/21/88/58/564218858.db2.gz SVVGHHLLCONSII-AWEZNQCLSA-N 1 0 384.307 2.680 20 0 GFADRO CC[NH+](CC)CCO[C@@H]1CCN(S(=O)(=O)c2cc(C)c(F)cc2Cl)C1 ZINC000472292021 564218920 /nfs/dbraw/zinc/21/89/20/564218920.db2.gz BHLGGBXETOMWIM-CQSZACIVSA-N 1 0 392.924 2.909 20 0 GFADRO Cn1ccnc1Sc1ncc(C(=O)NCC2=CC[N@H+](C)CC2)cc1Cl ZINC000539445430 564220293 /nfs/dbraw/zinc/22/02/93/564220293.db2.gz ZDUXHUWMEOFNBX-UHFFFAOYSA-N 1 0 377.901 2.611 20 0 GFADRO O=C(Cc1sccc1Br)N1CC[C@H](OCC[NH+]2CCCC2)C1 ZINC000450177462 564220807 /nfs/dbraw/zinc/22/08/07/564220807.db2.gz XKBKSCZHMOYADQ-ZDUSSCGKSA-N 1 0 387.343 2.766 20 0 GFADRO Cc1cc(Br)cc(C)c1S(=O)(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000472338638 564220998 /nfs/dbraw/zinc/22/09/98/564220998.db2.gz ASJNRWGQCPZSSN-OCCSQVGLSA-N 1 0 387.343 2.969 20 0 GFADRO O=C(Cc1sccc1Br)N1CC[C@@H](OCC[NH+]2CCCC2)C1 ZINC000450177460 564221141 /nfs/dbraw/zinc/22/11/41/564221141.db2.gz XKBKSCZHMOYADQ-CYBMUJFWSA-N 1 0 387.343 2.766 20 0 GFADRO C[C@H]([NH2+][C@H]1CSC[C@@H]1C)C(=O)Nc1ccc(I)cc1 ZINC000507210836 564221531 /nfs/dbraw/zinc/22/15/31/564221531.db2.gz KZTBTAQCBKXZEN-KWBADKCTSA-N 1 0 390.290 2.959 20 0 GFADRO Brc1cccc(-c2noc(-c3cn(C4CC[NH2+]CC4)nn3)n2)c1 ZINC000472416544 564222948 /nfs/dbraw/zinc/22/29/48/564222948.db2.gz PHMPWWJICRICOV-UHFFFAOYSA-N 1 0 375.230 2.682 20 0 GFADRO O=C(NC1(c2cccc(Br)c2)CCOCC1)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000564212946 564224875 /nfs/dbraw/zinc/22/48/75/564224875.db2.gz ZDCTWBPCMNWVOE-RDJZCZTQSA-N 1 0 379.298 2.571 20 0 GFADRO COC(=O)c1ccc(S(=O)(=O)NCC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)s1 ZINC000507284324 564225276 /nfs/dbraw/zinc/22/52/76/564225276.db2.gz WNHIRUNKIJJZLQ-STQMWFEESA-N 1 0 388.555 2.570 20 0 GFADRO NC(=O)c1ncc(Br)cc1N1CC[NH+](CC2CCCCC2)CC1 ZINC000472498736 564225461 /nfs/dbraw/zinc/22/54/61/564225461.db2.gz LFMYMAOVOXDPGG-UHFFFAOYSA-N 1 0 381.318 2.645 20 0 GFADRO C[NH+](C)CCOc1ccccc1CNc1ccc(I)cn1 ZINC000450292062 564225697 /nfs/dbraw/zinc/22/56/97/564225697.db2.gz UUDBKGNMMALDNE-UHFFFAOYSA-N 1 0 397.260 3.239 20 0 GFADRO C[C@H](CNc1ncc(Br)cc1C(F)(F)F)N1CC[NH+](C)CC1 ZINC000450300486 564226001 /nfs/dbraw/zinc/22/60/01/564226001.db2.gz DAGRKKWDUASRBD-SNVBAGLBSA-N 1 0 381.240 2.911 20 0 GFADRO CCOCC[N@@H+]1CCN(c2ncnc3cc(Br)ccc32)C[C@H]1C ZINC000450314570 564226901 /nfs/dbraw/zinc/22/69/01/564226901.db2.gz URHSDRFYHHQRKU-CYBMUJFWSA-N 1 0 379.302 2.939 20 0 GFADRO Cc1n[nH]c(CC[NH2+][C@H]2CCCOc3ccc(I)cc32)n1 ZINC000507395891 564227946 /nfs/dbraw/zinc/22/79/46/564227946.db2.gz APKKCSIBSVHLTH-ZDUSSCGKSA-N 1 0 398.248 2.764 20 0 GFADRO Cn1ccnc1[C@H](NC(=O)C(=O)Nc1c(F)cccc1Br)C1CC1 ZINC000507483500 564230088 /nfs/dbraw/zinc/23/00/88/564230088.db2.gz RUHYBHWTEJHXGW-GFCCVEGCSA-N 1 0 395.232 2.528 20 0 GFADRO C[C@@]1(CO)CCC[C@@H]1[NH2+]Cc1csc(-c2ccc(S(C)(=O)=O)cc2)n1 ZINC000472619835 564230133 /nfs/dbraw/zinc/23/01/33/564230133.db2.gz SKDPNXAODLCRIN-WMZOPIPTSA-N 1 0 380.535 2.854 20 0 GFADRO C[C@H]1C[N@H+](CCCNC(=O)c2cc(Br)cc(N(C)C)c2)CCCO1 ZINC000507568577 564232868 /nfs/dbraw/zinc/23/28/68/564232868.db2.gz PGBMNTBCWACFCG-AWEZNQCLSA-N 1 0 398.345 2.746 20 0 GFADRO O=S(=O)(N(CC[NH+]1CCCC1)Cc1ccc(Cl)cc1)N1CCCCC1 ZINC000472756248 564232997 /nfs/dbraw/zinc/23/29/97/564232997.db2.gz UBVZLYAIKBZJBT-UHFFFAOYSA-N 1 0 385.961 2.969 20 0 GFADRO C[C@H]1[C@@H](NC(=O)c2ccc(I)cc2F)CCC[N@@H+]1C ZINC000450548254 564238798 /nfs/dbraw/zinc/23/87/98/564238798.db2.gz HDFZGTODEZAHON-ZANVPECISA-N 1 0 376.213 2.643 20 0 GFADRO Cc1cc(Br)ccc1CN1C(=O)N[C@]2(CCCC[C@@H]2C[NH3+])C1=O ZINC000564567546 564239419 /nfs/dbraw/zinc/23/94/19/564239419.db2.gz KYTBDIGNFFKQAG-DYVFJYSZSA-N 1 0 380.286 2.697 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCCN(S(C)(=O)=O)C1)c1ccc(Br)c(F)c1 ZINC000540174245 564241053 /nfs/dbraw/zinc/24/10/53/564241053.db2.gz OPCSMBRCHPPRHV-CMPLNLGQSA-N 1 0 379.295 2.663 20 0 GFADRO Cc1c([C@H](C)[NH2+][C@H]2CCN(S(C)(=O)=O)C2)cnn1-c1cccc(Cl)c1 ZINC000564662930 564244588 /nfs/dbraw/zinc/24/45/88/564244588.db2.gz YTTUVSCOABRSIB-WFASDCNBSA-N 1 0 382.917 2.519 20 0 GFADRO OCC[C@@H]([NH2+]C[C@H](O)COc1ccc(Br)cc1)c1ccccc1 ZINC000540332662 564245356 /nfs/dbraw/zinc/24/53/56/564245356.db2.gz PUEWYADXSYIBPV-FUHWJXTLSA-N 1 0 380.282 2.902 20 0 GFADRO O=C([C@@H]1C[C@@]12CCc1cc(Br)ccc12)N1CC[NH+]2CCC1CC2 ZINC000507873716 564246124 /nfs/dbraw/zinc/24/61/24/564246124.db2.gz IGJPBXAKGZMBTF-PKOBYXMFSA-N 1 0 375.310 2.960 20 0 GFADRO COCCOC[C@H](O)C[NH2+][C@H]1c2cc(Br)ccc2SC[C@@H]1C ZINC000564845629 564251674 /nfs/dbraw/zinc/25/16/74/564251674.db2.gz ZPYSMLICZYRTBI-NORZTCDRSA-N 1 0 390.343 2.846 20 0 GFADRO CN(C)C(=O)[C@@H]1CCC[C@H]([NH2+]C[C@@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000564855868 564252798 /nfs/dbraw/zinc/25/27/98/564252798.db2.gz HRHXLBBWGLDALO-VHDGCEQUSA-N 1 0 389.323 2.970 20 0 GFADRO COCC[N@@H+]1CC[C@@H](NC(=O)c2coc3c2cc(Br)cc3C)C1 ZINC000473731323 564253331 /nfs/dbraw/zinc/25/33/31/564253331.db2.gz KGUHVGKNLHNOLP-CYBMUJFWSA-N 1 0 381.270 2.954 20 0 GFADRO Cc1cc(Br)cc2c(C(=O)N[C@H](C)CN3CC[NH+](C)CC3)coc21 ZINC000473716690 564253598 /nfs/dbraw/zinc/25/35/98/564253598.db2.gz RRHUUIAAPMEPFG-CYBMUJFWSA-N 1 0 394.313 2.869 20 0 GFADRO CC(C)c1noc(CCCNC(=O)[C@](C)([NH3+])c2ccc(Br)cc2)n1 ZINC000564906643 564255758 /nfs/dbraw/zinc/25/57/58/564255758.db2.gz NODPHBYRIPPPBA-QGZVFWFLSA-N 1 0 395.301 2.878 20 0 GFADRO C[NH+](C)[C@@H](CNS(=O)(=O)c1cnccc1C(F)(F)F)C1CCCCC1 ZINC000473902138 564256033 /nfs/dbraw/zinc/25/60/33/564256033.db2.gz BJDBXCDADBWHJN-AWEZNQCLSA-N 1 0 379.448 2.889 20 0 GFADRO CCC(CC)[C@@H](CNS(=O)(=O)c1ccc(Cl)cc1C(=O)OC)[NH+](C)C ZINC000473931767 564257693 /nfs/dbraw/zinc/25/76/93/564257693.db2.gz JBPQUDCDRLVMJD-OAHLLOKOSA-N 1 0 390.933 2.771 20 0 GFADRO O=C1N[C@]2(CCC[NH2+]C2)C(=O)N1Cc1cccc2c(Br)cccc12 ZINC000564925550 564257840 /nfs/dbraw/zinc/25/78/40/564257840.db2.gz CUINXQZXDCPHJQ-SFHVURJKSA-N 1 0 388.265 2.776 20 0 GFADRO C[C@@H](C[NH+]1CCCCC1)NS(=O)(=O)c1ccc(OCC(F)(F)F)cc1 ZINC000473944466 564258845 /nfs/dbraw/zinc/25/88/45/564258845.db2.gz KEXKURWTKQAODV-ZDUSSCGKSA-N 1 0 380.432 2.780 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)[C@H](c2ccc(Br)cc2)N2CCCC2)C1 ZINC000564951368 564259352 /nfs/dbraw/zinc/25/93/52/564259352.db2.gz HEEWSWYSVSSVFG-LXZKKBNFSA-N 1 0 380.330 2.782 20 0 GFADRO CN(CC[NH+](C)C)C(=O)N[C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O ZINC000473951387 564259887 /nfs/dbraw/zinc/25/98/87/564259887.db2.gz NPTWUHJETPRAMO-CQSZACIVSA-N 1 0 387.311 2.692 20 0 GFADRO C[NH2+]C[C@H]1CCCN(S(=O)(=O)Cc2cc(Cl)ccc2Br)C1 ZINC000564958192 564260030 /nfs/dbraw/zinc/26/00/30/564260030.db2.gz QXSBMLLCYNLFNZ-LLVKDONJSA-N 1 0 395.750 2.864 20 0 GFADRO Cc1cc(S(=O)(=O)N2CCC[C@]3(CC[NH2+]C3)C2)c(F)cc1Br ZINC000564966820 564260040 /nfs/dbraw/zinc/26/00/40/564260040.db2.gz LJHURYOTIMSMTC-OAHLLOKOSA-N 1 0 391.306 2.661 20 0 GFADRO C[N@@H+]1CCN(CCNC(=O)CCOc2ccc(Cl)cc2Cl)CC1(C)C ZINC000508333673 564260649 /nfs/dbraw/zinc/26/06/49/564260649.db2.gz NQYPUMWZWGNCFF-UHFFFAOYSA-N 1 0 388.339 2.905 20 0 GFADRO CN(CCC[NH+]1CCCC1)C(=O)c1cnc2ccc(Br)cc2c1O ZINC000508402902 564263395 /nfs/dbraw/zinc/26/33/95/564263395.db2.gz PHFAAJUGTGJQIE-UHFFFAOYSA-N 1 0 392.297 2.849 20 0 GFADRO C[NH+](C)C1(CNC(=O)c2ccc(I)c(F)c2)CCC1 ZINC000474107479 564264653 /nfs/dbraw/zinc/26/46/53/564264653.db2.gz YATZVHXGDDMKNB-UHFFFAOYSA-N 1 0 376.213 2.644 20 0 GFADRO CCC[C@@H]([NH2+]C(C)C)C(=O)N(CCO)Cc1cc(Br)cs1 ZINC000508513394 564264869 /nfs/dbraw/zinc/26/48/69/564264869.db2.gz OWOCCFCBFQWFHS-CQSZACIVSA-N 1 0 377.348 2.998 20 0 GFADRO COC(=O)[C@@H](NC(=O)C[NH+]1CCC(C)CC1)c1ccc(Br)cc1 ZINC000474096793 564264838 /nfs/dbraw/zinc/26/48/38/564264838.db2.gz JSSNQKPTZAAQPY-INIZCTEOSA-N 1 0 383.286 2.511 20 0 GFADRO Cc1ccc(CCC[NH+]2CCC(NS(=O)(=O)c3cccs3)CC2)cn1 ZINC000474104867 564264871 /nfs/dbraw/zinc/26/48/71/564264871.db2.gz KJWXOICQTBSLOJ-UHFFFAOYSA-N 1 0 379.551 2.827 20 0 GFADRO COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000508518679 564265454 /nfs/dbraw/zinc/26/54/54/564265454.db2.gz HSAMFSJPOMLIRI-VIFPVBQESA-N 1 0 395.308 2.541 20 0 GFADRO CCC[N@H+](CC)CCNS(=O)(=O)c1cc(Br)c(F)cc1F ZINC000474183876 564268365 /nfs/dbraw/zinc/26/83/65/564268365.db2.gz UDEKYWQKIRNBHY-UHFFFAOYSA-N 1 0 385.274 2.738 20 0 GFADRO CN(CC[N@H+](C)C1CC1)C(=O)N[C@@H]1COc2cc(F)c(Br)cc21 ZINC000508649590 564268458 /nfs/dbraw/zinc/26/84/58/564268458.db2.gz KZYHEIOWKLATFU-CQSZACIVSA-N 1 0 386.265 2.757 20 0 GFADRO C[NH+](C)[C@@H]1CCCN(C(=O)N[C@@H]2COc3cc(F)c(Br)cc32)C1 ZINC000508668351 564269510 /nfs/dbraw/zinc/26/95/10/564269510.db2.gz UUCRAXKQZYWPJQ-QMTHXVAHSA-N 1 0 386.265 2.757 20 0 GFADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)N[C@@H]3COc4cc(F)c(Br)cc43)[C@@H]2C1 ZINC000508656063 564269747 /nfs/dbraw/zinc/26/97/47/564269747.db2.gz XHCQXPJKFDPPAH-VCTAVGKDSA-N 1 0 398.276 2.757 20 0 GFADRO C[C@H](Cc1c[nH]cn1)C(=O)N1CCN(c2cccc(Br)c2)CC1 ZINC000565205387 564270795 /nfs/dbraw/zinc/27/07/95/564270795.db2.gz RRCGWCIMFJGHRL-CYBMUJFWSA-N 1 0 377.286 2.700 20 0 GFADRO CC[NH+](CC)[C@H](C)CNS(=O)(=O)c1cc(Br)c(F)cc1OC ZINC000565235707 564271753 /nfs/dbraw/zinc/27/17/53/564271753.db2.gz SEQIXPVMCUHCQJ-SNVBAGLBSA-N 1 0 397.310 2.605 20 0 GFADRO [NH3+][C@@H]1C[C@@H]2CN(Cc3nc(-c4cc(Cl)ccc4Cl)cs3)CCN2C1=O ZINC000565232856 564271950 /nfs/dbraw/zinc/27/19/50/564271950.db2.gz FMVSWRFBTUKUDL-BXUZGUMPSA-N 1 0 397.331 2.861 20 0 GFADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2C)C1 ZINC000508761583 564272282 /nfs/dbraw/zinc/27/22/82/564272282.db2.gz IJKDFPPXAUBRKP-ZDUSSCGKSA-N 1 0 395.349 2.751 20 0 GFADRO [NH3+]CC[C@@H](NC(=O)Nc1ccc(I)cc1F)C(F)F ZINC000565247306 564273112 /nfs/dbraw/zinc/27/31/12/564273112.db2.gz YTRHWCKEPJXOEF-SECBINFHSA-N 1 0 387.143 2.534 20 0 GFADRO CN(C[C@@H]1CCC[N@H+](C)C1)S(=O)(=O)c1cccc(Br)c1F ZINC000541385897 564276936 /nfs/dbraw/zinc/27/69/36/564276936.db2.gz CVADPMPEMFVZLE-LLVKDONJSA-N 1 0 379.295 2.551 20 0 GFADRO C[C@H]1C[NH+](CCCNC(=O)c2cn3cc(Cl)cc(Cl)c3n2)C[C@H](C)O1 ZINC000509053352 564280181 /nfs/dbraw/zinc/28/01/81/564280181.db2.gz SWGIJTDUCOXCFO-RYUDHWBXSA-N 1 0 385.295 2.870 20 0 GFADRO C[NH+](C)[C@@H](CNc1cc(Br)cnc1C(N)=O)c1cccc(F)c1 ZINC000541539740 564283281 /nfs/dbraw/zinc/28/32/81/564283281.db2.gz IOLKWZZQNFMIBO-AWEZNQCLSA-N 1 0 381.249 2.797 20 0 GFADRO C[C@@H]([NH2+]C[C@@H]1CCCCS1(=O)=O)c1ccc(I)cc1 ZINC000541570905 564284437 /nfs/dbraw/zinc/28/44/37/564284437.db2.gz KHEUKKFHIQANBI-RISCZKNCSA-N 1 0 393.290 2.909 20 0 GFADRO CC[C@@H]([NH2+]CCS(=O)(=O)c1ccc(Br)cc1)[C@@H]1CCCO1 ZINC000541632939 564285385 /nfs/dbraw/zinc/28/53/85/564285385.db2.gz OMANMODIWHKGTQ-CABCVRRESA-N 1 0 376.316 2.770 20 0 GFADRO CC1CC[NH+](CC(=O)N[C@@H]2CCN(c3ccc(Br)cc3)C2)CC1 ZINC000474710372 564286728 /nfs/dbraw/zinc/28/67/28/564286728.db2.gz KPRVOXIXOMPJBZ-MRXNPFEDSA-N 1 0 380.330 2.876 20 0 GFADRO CN1C(=O)CC[C@H]1C(=O)N(CCC[NH+](C)C)Cc1ccc(Cl)c(Cl)c1 ZINC000474730660 564287576 /nfs/dbraw/zinc/28/75/76/564287576.db2.gz SLKGXGVTJCQJHV-INIZCTEOSA-N 1 0 386.323 2.895 20 0 GFADRO C[C@@H]([NH2+]CCNS(=O)(=O)Cc1ccon1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000474805634 564290050 /nfs/dbraw/zinc/29/00/50/564290050.db2.gz CJIRPECOGUGQDH-KGYLQXTDSA-N 1 0 389.930 2.591 20 0 GFADRO CN(Cc1ccccc1Br)C(=O)CN1CC2CCC1(C[NH3+])CC2 ZINC000565725704 564292581 /nfs/dbraw/zinc/29/25/81/564292581.db2.gz JHHIWMCGIGUEDC-UHFFFAOYSA-N 1 0 380.330 2.611 20 0 GFADRO C[C@H]1CC[N@H+](C)CCN1C(=O)c1cc(I)ccc1F ZINC000474934224 564293588 /nfs/dbraw/zinc/29/35/88/564293588.db2.gz PYRKTGQDNAHKQQ-JTQLQIEISA-N 1 0 376.213 2.597 20 0 GFADRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)C(=O)N(C)Cc2ccc(Cl)s2)C1 ZINC000565730492 564293699 /nfs/dbraw/zinc/29/36/99/564293699.db2.gz OMVPVRVCIFNIIR-ZIAGYGMSSA-N 1 0 385.961 2.844 20 0 GFADRO CN(C)C(=O)N1CCC([NH2+][C@H](CCO)c2ccccc2Br)CC1 ZINC000541916424 564294414 /nfs/dbraw/zinc/29/44/14/564294414.db2.gz ROILHCBVVUWYTC-MRXNPFEDSA-N 1 0 384.318 2.608 20 0 GFADRO C[C@H](CCc1ccc(I)cc1)[NH2+][C@H](C)C[S@@](C)=O ZINC000474937768 564294571 /nfs/dbraw/zinc/29/45/71/564294571.db2.gz YSMARZIFYSALID-SEDUGSJDSA-N 1 0 379.307 2.969 20 0 GFADRO COc1cc(Br)ccc1C[NH2+]CCC1CCS(=O)(=O)CC1 ZINC000541923766 564294615 /nfs/dbraw/zinc/29/46/15/564294615.db2.gz CUSXBYLBENCFNZ-UHFFFAOYSA-N 1 0 376.316 2.762 20 0 GFADRO C[NH+](C)[C@H]1CCC[C@H](NS(=O)(=O)Cc2ccc(Br)c(F)c2)C1 ZINC000451283576 564295649 /nfs/dbraw/zinc/29/56/49/564295649.db2.gz GEWIENVQNYJRLJ-STQMWFEESA-N 1 0 393.322 2.880 20 0 GFADRO OC[C@H]([NH2+]C[C@@H](O)COc1cccc(Br)c1)c1cccc(F)c1 ZINC000541955722 564296742 /nfs/dbraw/zinc/29/67/42/564296742.db2.gz ZSOZFJODKLZJFR-WBVHZDCISA-N 1 0 384.245 2.651 20 0 GFADRO Cc1ccccc1OC[C@H](O)C[NH2+][C@H](CO)c1ccc(Br)cc1 ZINC000541980442 564297773 /nfs/dbraw/zinc/29/77/73/564297773.db2.gz BWENEVNPSMLGDD-IAGOWNOFSA-N 1 0 380.282 2.820 20 0 GFADRO O=[S@](CC[N@@H+]1C[C@H](O)C[C@@H]1[C@@H]1CCCOC1)c1cc(Cl)ccc1Cl ZINC000451297609 564298098 /nfs/dbraw/zinc/29/80/98/564298098.db2.gz HIQUFTJYPYJPBB-QFOUGODLSA-N 1 0 392.348 2.963 20 0 GFADRO COc1ccc(Br)cc1C[NH2+]CCc1nnnn1-c1ccccc1 ZINC000509427776 564298275 /nfs/dbraw/zinc/29/82/75/564298275.db2.gz BECDOCKBCHRCIJ-UHFFFAOYSA-N 1 0 388.269 2.766 20 0 GFADRO CCN(CCC[N@H+](C)[C@H](C)c1ccc(S(N)(=O)=O)cc1)CC(F)(F)F ZINC000475044308 564298439 /nfs/dbraw/zinc/29/84/39/564298439.db2.gz GZDVSPNOORYKRG-CYBMUJFWSA-N 1 0 381.464 2.601 20 0 GFADRO O=C(NCCC[C@H]1CCC[NH2+]1)C1CCN(C(=O)c2ccc(Cl)s2)CC1 ZINC000565887214 564300425 /nfs/dbraw/zinc/30/04/25/564300425.db2.gz XQOWYTQAUMZNBD-CQSZACIVSA-N 1 0 383.945 2.902 20 0 GFADRO CCOC(=O)[C@](C)(O)C[N@@H+]1CCCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000475138857 564301443 /nfs/dbraw/zinc/30/14/43/564301443.db2.gz MWHJCEFQPCLIIO-QGZVFWFLSA-N 1 0 375.296 2.820 20 0 GFADRO C[NH+](C)[C@H]1CCC[C@@H](NS(=O)(=O)c2cccc(Br)c2F)C1 ZINC000542141685 564302049 /nfs/dbraw/zinc/30/20/49/564302049.db2.gz RPYJMSFWSCYATE-MNOVXSKESA-N 1 0 379.295 2.739 20 0 GFADRO Cc1cc(F)c(Br)cc1NC(=O)C(=O)N[C@H](C)C1=CC[N@H+](C)CC1 ZINC000475159060 564302219 /nfs/dbraw/zinc/30/22/19/564302219.db2.gz XMILDPDOUDYAOO-LLVKDONJSA-N 1 0 398.276 2.602 20 0 GFADRO O=C(C[NH2+][C@H](CO)C1CCOCC1)Nc1ccc(Cl)cc1C(F)(F)F ZINC000565974779 564303921 /nfs/dbraw/zinc/30/39/21/564303921.db2.gz XKPUXCNOQRULIF-CQSZACIVSA-N 1 0 380.794 2.674 20 0 GFADRO Cc1ncsc1CCS(=O)(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H]1C ZINC000565991789 564305072 /nfs/dbraw/zinc/30/50/72/564305072.db2.gz CVDLFEAUZGBSIH-RDJZCZTQSA-N 1 0 379.551 2.576 20 0 GFADRO C[C@H](C[NH2+]C[C@H](O)COc1ccc(Cl)cc1Br)N(C)C1CC1 ZINC000566004845 564306103 /nfs/dbraw/zinc/30/61/03/564306103.db2.gz GKXXRAIDPAXUMW-RISCZKNCSA-N 1 0 391.737 2.915 20 0 GFADRO Cc1ncsc1CC[NH2+]C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000566005378 564306170 /nfs/dbraw/zinc/30/61/70/564306170.db2.gz HBHWLBPPCOSYBL-ZDUSSCGKSA-N 1 0 389.290 2.925 20 0 GFADRO Cc1cc(Br)cc(C)c1N1CCC[C@H]([N@@H+]2CC[C@H](CO)C2)C1=O ZINC000509640381 564306921 /nfs/dbraw/zinc/30/69/21/564306921.db2.gz FVLFFWZDEBSWSM-HOCLYGCPSA-N 1 0 381.314 2.876 20 0 GFADRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)Cc1csc(NC(=O)c2cccs2)n1 ZINC000509637700 564307227 /nfs/dbraw/zinc/30/72/27/564307227.db2.gz WFERXIFTXQLUEP-NWDGAFQWSA-N 1 0 378.523 2.550 20 0 GFADRO O=C(c1cc(COc2c(Cl)cccc2Cl)on1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000566049805 564307482 /nfs/dbraw/zinc/30/74/82/564307482.db2.gz LRXXADFXFBWIMC-BMIGLBTASA-N 1 0 382.247 2.994 20 0 GFADRO CC[NH+]1CCN([C@@H](C)CNC(=O)c2ccc(Cl)c(Br)c2)CC1 ZINC000509680041 564308728 /nfs/dbraw/zinc/30/87/28/564308728.db2.gz LICSNDQNZMGHPT-LBPRGKRZSA-N 1 0 388.737 2.858 20 0 GFADRO O=C(c1ccc(F)cc1Br)N1CC[C@@H](OCC[NH+]2CCCC2)C1 ZINC000475452187 564308797 /nfs/dbraw/zinc/30/87/97/564308797.db2.gz ISARYYGUXBEKKD-CQSZACIVSA-N 1 0 385.277 2.915 20 0 GFADRO [NH3+][C@H]1CCC[C@@H](CNC(=O)c2cc(F)c(F)cc2I)C1 ZINC000566102944 564309333 /nfs/dbraw/zinc/30/93/33/564309333.db2.gz GOKFIUVRXLMXDI-BDAKNGLRSA-N 1 0 394.203 2.817 20 0 GFADRO [NH3+][C@H]1CCC[C@@H](CNC(=O)c2cnn(-c3ccc(Br)cc3)c2)C1 ZINC000566102761 564309542 /nfs/dbraw/zinc/30/95/42/564309542.db2.gz OQCPGCAEIPESGW-DOMZBBRYSA-N 1 0 377.286 2.882 20 0 GFADRO CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+]C[C@@H](O)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000566117816 564310359 /nfs/dbraw/zinc/31/03/59/564310359.db2.gz QFODABWPYKOBCB-HRCADAONSA-N 1 0 379.444 2.554 20 0 GFADRO C[N@@H+]1CCCN(C(=O)NCCc2c[nH]c3ccc(Br)cc23)CC1 ZINC000542448069 564313210 /nfs/dbraw/zinc/31/32/10/564313210.db2.gz JHRXEYCTCGQBQG-UHFFFAOYSA-N 1 0 379.302 2.820 20 0 GFADRO C[C@@H]1[C@@H](O)CCC[N@@H+]1C[C@H](O)COc1ccc(Cl)cc1Br ZINC000451451960 564315097 /nfs/dbraw/zinc/31/50/97/564315097.db2.gz DNUMIAWMHTZKGE-OSMZGAPFSA-N 1 0 378.694 2.687 20 0 GFADRO C[NH+](C)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Br)c(F)c2)CC1 ZINC000451457522 564315342 /nfs/dbraw/zinc/31/53/42/564315342.db2.gz DOBARIPMRSBARC-CYBMUJFWSA-N 1 0 393.322 2.834 20 0 GFADRO C[NH2+]C[C@@H]1CCCN(C(=O)c2ncc(Br)cc2Br)C1 ZINC000566203453 564315949 /nfs/dbraw/zinc/31/59/49/564315949.db2.gz YEENXGOVWQBALF-VIFPVBQESA-N 1 0 391.107 2.678 20 0 GFADRO C[NH+](C)CCCOC1CCN(S(=O)(=O)CCc2cccc(Cl)c2)CC1 ZINC000509883891 564316287 /nfs/dbraw/zinc/31/62/87/564316287.db2.gz HLIKSMMFTYGLGB-UHFFFAOYSA-N 1 0 388.961 2.645 20 0 GFADRO COC(=O)c1cc(Cl)c(C)c(S(=O)(=O)N2CCC[C@@H]([NH+](C)C)CC2)c1 ZINC000451469628 564316981 /nfs/dbraw/zinc/31/69/81/564316981.db2.gz UODIMZFZCIKZNA-CQSZACIVSA-N 1 0 388.917 2.540 20 0 GFADRO Cc1nc(C(=O)N[C@@H]2C[NH2+]CCC2(F)F)nn1-c1c(Cl)cccc1Cl ZINC000566211453 564317034 /nfs/dbraw/zinc/31/70/34/564317034.db2.gz GWEOZYRSYLPEIO-LLVKDONJSA-N 1 0 390.221 2.610 20 0 GFADRO CCCC[C@H]([NH2+]CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl)C1CCC1 ZINC000542521013 564317226 /nfs/dbraw/zinc/31/72/26/564317226.db2.gz IPYWMUMSFBGVRU-HNNXBMFYSA-N 1 0 387.933 2.874 20 0 GFADRO C[NH+]1CCN(Cc2ccc(NC(=O)[C@@]3(C)CCOC3)cc2Br)CC1 ZINC000475747938 564318167 /nfs/dbraw/zinc/31/81/67/564318167.db2.gz GESAVSBWEQUFMR-SFHVURJKSA-N 1 0 396.329 2.562 20 0 GFADRO C[C@@H]([NH2+]CC(=O)Nc1cccc(I)c1)[C@H]1CCCOC1 ZINC000542576327 564318605 /nfs/dbraw/zinc/31/86/05/564318605.db2.gz FWPSQRDIEXOJES-NEPJUHHUSA-N 1 0 388.249 2.634 20 0 GFADRO CC(C)(CN1CCOCC1)NC(=O)[C@@H]1CCc2cc(Br)ccc21 ZINC000566262416 564320372 /nfs/dbraw/zinc/32/03/72/564320372.db2.gz RZFXRCPZUSHKFO-MRXNPFEDSA-N 1 0 381.314 2.706 20 0 GFADRO CCC[C@H]([NH2+]C(C)C)C(=O)Nc1cnc(N2CCOCC2)c(Br)c1 ZINC000509983218 564321089 /nfs/dbraw/zinc/32/10/89/564321089.db2.gz CEZFCSJFJHJFSG-HNNXBMFYSA-N 1 0 399.333 2.786 20 0 GFADRO O=C(NCCOc1ncc(Cl)cc1Cl)[C@]1(c2ccccc2)CC[NH2+]C1 ZINC000566296010 564321959 /nfs/dbraw/zinc/32/19/59/564321959.db2.gz MDTUEBAILXUNTA-GOSISDBHSA-N 1 0 380.275 2.815 20 0 GFADRO CO[C@H]1CC[N@H+](CC(=O)N(C)Cc2cc(Br)cs2)C[C@H]1C ZINC000451539089 564323365 /nfs/dbraw/zinc/32/33/65/564323365.db2.gz FBEMGQAGVAAXHV-RISCZKNCSA-N 1 0 375.332 2.826 20 0 GFADRO COc1cc(Br)c(C[N@H+](CC(C)(C)O)C2CCOCC2)cc1O ZINC000542774348 564325744 /nfs/dbraw/zinc/32/57/44/564325744.db2.gz JAJZEPAARVCEKH-UHFFFAOYSA-N 1 0 388.302 2.915 20 0 GFADRO CCS(=O)(=O)NCCC[N@@H+]1CC[C@@H](c2cccc(Br)c2)C1 ZINC000451561326 564325957 /nfs/dbraw/zinc/32/59/57/564325957.db2.gz BNCOWWRMEJQOGY-CQSZACIVSA-N 1 0 375.332 2.568 20 0 GFADRO C[C@@H](c1nc(N)nc(N(C)C)n1)N1CC[C@@H](c2cccc(Br)c2)C1 ZINC000451573188 564327765 /nfs/dbraw/zinc/32/77/65/564327765.db2.gz TWGBMFBANTYXEQ-WCQYABFASA-N 1 0 391.317 2.833 20 0 GFADRO CC[NH+](CC)CCN(CCOC)Cc1cn2ccc(Br)cc2n1 ZINC000566535180 564330372 /nfs/dbraw/zinc/33/03/72/564330372.db2.gz WADVMIMBOBOBCH-UHFFFAOYSA-N 1 0 383.334 2.887 20 0 GFADRO CC(C)[C@@H]([NH2+]Cc1nnnn1-c1ccccc1Br)[C@@H](CO)C(C)C ZINC000451613994 564331096 /nfs/dbraw/zinc/33/10/96/564331096.db2.gz ODGCEVXITKLRSR-SUMWQHHRSA-N 1 0 396.333 2.804 20 0 GFADRO C[N@@H+]1CC[C@@H]2OCCN(C(=O)c3cc4c(ccc(F)c4Br)[nH]3)[C@@H]2C1 ZINC000451617920 564332154 /nfs/dbraw/zinc/33/21/54/564332154.db2.gz VDZBDJCGXBGLHO-CABCVRRESA-N 1 0 396.260 2.615 20 0 GFADRO Cc1c(Br)ccnc1NC(=O)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000566569664 564332321 /nfs/dbraw/zinc/33/23/21/564332321.db2.gz AIDVFOLZWQEXGF-AWEZNQCLSA-N 1 0 397.317 2.871 20 0 GFADRO CS[C@H]1CN(C(=O)C2(c3ccccc3Br)CC2)C[C@H]1[NH+](C)C ZINC000476332243 564335182 /nfs/dbraw/zinc/33/51/82/564335182.db2.gz KCMTXYUOUFEWLI-CABCVRRESA-N 1 0 383.355 2.985 20 0 GFADRO CC(C)CCn1ccc(NC(=O)[C@](C)([NH3+])c2ccc(Br)cc2)n1 ZINC000566618655 564335281 /nfs/dbraw/zinc/33/52/81/564335281.db2.gz YNOKFVFGJYUXOS-QGZVFWFLSA-N 1 0 379.302 3.504 20 0 GFADRO CS[C@H]1CN(C(=O)C2(c3ccccc3Br)CC2)C[C@@H]1[NH+](C)C ZINC000476332244 564335397 /nfs/dbraw/zinc/33/53/97/564335397.db2.gz KCMTXYUOUFEWLI-GJZGRUSLSA-N 1 0 383.355 2.985 20 0 GFADRO Cc1ccc(C[N@H+](CCO)C[C@@H](O)COc2ccc(Br)cc2)cc1 ZINC000543060734 564336362 /nfs/dbraw/zinc/33/63/62/564336362.db2.gz KNQDINAARQPJFM-GOSISDBHSA-N 1 0 394.309 2.992 20 0 GFADRO CN(C)S(=O)(=O)c1ccc(C[NH2+]Cc2cc(Cl)cc3c2OCC3)cc1 ZINC000543063336 564336532 /nfs/dbraw/zinc/33/65/32/564336532.db2.gz MHOPGVCZCAAWML-UHFFFAOYSA-N 1 0 380.897 2.815 20 0 GFADRO O=S(=O)(N[C@H]1CCCN(CCCO)C1)c1sc2ccccc2c1Cl ZINC000451665720 564338302 /nfs/dbraw/zinc/33/83/02/564338302.db2.gz FORWUMAHMOKWRG-LBPRGKRZSA-N 1 0 388.942 2.680 20 0 GFADRO CS(=O)(=O)N1CC[C@H](C[NH2+][C@H]2CCCc3c(Br)cccc32)C1 ZINC000543113809 564338619 /nfs/dbraw/zinc/33/86/19/564338619.db2.gz FGMPHKMJPUDNGR-WBMJQRKESA-N 1 0 387.343 2.698 20 0 GFADRO O=C(NCC[NH+]1CCCCC1)N[C@H]1CCN(c2ccccc2Br)C1 ZINC000476457694 564339769 /nfs/dbraw/zinc/33/97/69/564339769.db2.gz KYJXQMGOIOHUJN-HNNXBMFYSA-N 1 0 395.345 2.813 20 0 GFADRO CC[N@@H+]1CC[C@H]2OCCN(Cc3cnc4c(C)cc(Br)cn34)[C@H]2C1 ZINC000566753721 564342363 /nfs/dbraw/zinc/34/23/63/564342363.db2.gz ZHKUQIYBDIOFOS-DLBZAZTESA-N 1 0 393.329 2.700 20 0 GFADRO CS(=O)(=O)c1cccc(Cl)c1C(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000476513832 564342712 /nfs/dbraw/zinc/34/27/12/564342712.db2.gz OMGTUNZPFAXWAQ-AWEZNQCLSA-N 1 0 384.929 2.692 20 0 GFADRO Cc1ccsc1[C@@H](CO)[NH2+]C[C@@H](O)COc1cccc(Br)c1 ZINC000566773653 564342771 /nfs/dbraw/zinc/34/27/71/564342771.db2.gz QOZPRLBSLULMJK-UKRRQHHQSA-N 1 0 386.311 2.882 20 0 GFADRO O=C1[C@H]([NH2+][C@H]2CCc3ccc(Br)cc32)CCN1C1CCOCC1 ZINC000510670817 564343436 /nfs/dbraw/zinc/34/34/36/564343436.db2.gz YBKSJVBXYGTSTF-DLBZAZTESA-N 1 0 379.298 2.806 20 0 GFADRO C[C@]1([NH2+]Cc2cc(=O)n3cc(Br)ccc3n2)CCO[C@@H]1C1CC1 ZINC000543238355 564343674 /nfs/dbraw/zinc/34/36/74/564343674.db2.gz AOMPZZLFJUGQCI-SJORKVTESA-N 1 0 378.270 2.504 20 0 GFADRO C[C@@H](NC(=O)c1csc(I)c1)C1=CC[N@H+](C)CC1 ZINC000510795221 564347636 /nfs/dbraw/zinc/34/76/36/564347636.db2.gz DWRJZPSJAICNFR-SECBINFHSA-N 1 0 376.263 2.733 20 0 GFADRO CC[N@H+](CCNC(=O)COc1ccc(Br)cc1C(C)=O)C1CC1 ZINC000510815525 564347903 /nfs/dbraw/zinc/34/79/03/564347903.db2.gz RCQIADVDNNIZEB-UHFFFAOYSA-N 1 0 383.286 2.631 20 0 GFADRO O=C(c1cccc(F)c1Br)N1CC[C@H](OCC[NH+]2CCCC2)C1 ZINC000476654404 564350209 /nfs/dbraw/zinc/35/02/09/564350209.db2.gz CDHWMJNRBDBASK-ZDUSSCGKSA-N 1 0 385.277 2.915 20 0 GFADRO Cc1cc(N2CCC[C@H]([N@H+](CCO)CC3CC3)C2=O)ccc1Br ZINC000510947038 564351099 /nfs/dbraw/zinc/35/10/99/564351099.db2.gz MECCJXSVTHUHEB-KRWDZBQOSA-N 1 0 381.314 2.957 20 0 GFADRO COC[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(I)cc1)C(C)C ZINC000543453355 564351431 /nfs/dbraw/zinc/35/14/31/564351431.db2.gz KIKCVNQZZONIRQ-SMDDNHRTSA-N 1 0 390.265 2.879 20 0 GFADRO Cc1cccc(I)c1C(=O)N[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000476700596 564352226 /nfs/dbraw/zinc/35/22/26/564352226.db2.gz QGJPEAWEXYSZBX-RISCZKNCSA-N 1 0 384.261 2.812 20 0 GFADRO CN(C)S(=O)(=O)[C@@H]1CCCN(Cc2cc(-c3ccc(Cl)cc3)no2)C1 ZINC000511136466 564359458 /nfs/dbraw/zinc/35/94/58/564359458.db2.gz AUUAWDCSLHJJGN-MRXNPFEDSA-N 1 0 383.901 2.851 20 0 GFADRO O=S(=O)(c1ccccc1OC(F)(F)F)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000567166966 564360140 /nfs/dbraw/zinc/36/01/40/564360140.db2.gz ZTMHIOBMQKIRKE-STQMWFEESA-N 1 0 378.416 2.595 20 0 GFADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(Br)c(C)cc1OC ZINC000511206207 564362376 /nfs/dbraw/zinc/36/23/76/564362376.db2.gz ZUXUVLGMAROCRR-ZDUSSCGKSA-N 1 0 385.302 2.607 20 0 GFADRO CCN1CCN(S(=O)(=O)c2cc(Br)sc2Cl)[C@H](C)C1 ZINC000511224896 564363063 /nfs/dbraw/zinc/36/30/63/564363063.db2.gz QREUIKOCMHQHJO-MRVPVSSYSA-N 1 0 387.752 2.879 20 0 GFADRO Cc1cccc(S(=O)(=O)N[C@H](c2nccn2C)C2CC2)c1Br ZINC000511229915 564363328 /nfs/dbraw/zinc/36/33/28/564363328.db2.gz AZZHLYMPMUXPRW-AWEZNQCLSA-N 1 0 384.299 2.921 20 0 GFADRO O=C1CC[C@@H]([NH+]2CCN(CCOc3c(Cl)cccc3Cl)CC2)CCN1 ZINC000451921178 564367325 /nfs/dbraw/zinc/36/73/25/564367325.db2.gz ZKILJESAHPMYEZ-CQSZACIVSA-N 1 0 386.323 2.659 20 0 GFADRO Cc1ccc(Br)cc1CN1CC[NH+]([C@H]2CCNC(=O)CC2)CC1 ZINC000451919816 564367535 /nfs/dbraw/zinc/36/75/35/564367535.db2.gz UPBVYGRAELCTHM-QGZVFWFLSA-N 1 0 380.330 2.544 20 0 GFADRO [NH3+][C@@H]1CCC[C@H](CNC(=O)c2ccc(I)c(F)c2)C1 ZINC000567377187 564368799 /nfs/dbraw/zinc/36/87/99/564368799.db2.gz ZVNYYTXBRMVAHJ-GXSJLCMTSA-N 1 0 376.213 2.678 20 0 GFADRO CCS(=O)(=O)NC1CC[NH+](Cc2ccc(OCC(F)(F)F)cc2)CC1 ZINC000567399451 564369574 /nfs/dbraw/zinc/36/95/74/564369574.db2.gz DGPVQIANTWXSAH-UHFFFAOYSA-N 1 0 380.432 2.531 20 0 GFADRO COCCNC(=O)[C@H]1CC[C@H](C)[N@H+](Cc2cc(O)ccc2Br)C1 ZINC000511507214 564374314 /nfs/dbraw/zinc/37/43/14/564374314.db2.gz KLMZRBOCMRVNLG-STQMWFEESA-N 1 0 385.302 2.518 20 0 GFADRO C[C@@](CO)([NH2+]Cc1ccc(S(C)(=O)=O)cc1)c1ccc(Br)cc1 ZINC000511559716 564375729 /nfs/dbraw/zinc/37/57/29/564375729.db2.gz CEGCKFXJZVYJAN-KRWDZBQOSA-N 1 0 398.322 2.850 20 0 GFADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@@H]1COc2cc(F)ccc2C1 ZINC000567522282 564375978 /nfs/dbraw/zinc/37/59/78/564375978.db2.gz LEPQCYCBYJVGFV-ABAIWWIYSA-N 1 0 381.245 2.732 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)CCC[N@@H+](C)[C@H]1CCN(C)C1=O ZINC000511588450 564376684 /nfs/dbraw/zinc/37/66/84/564376684.db2.gz OVZCWNQXUCSGME-HNNXBMFYSA-N 1 0 396.329 2.947 20 0 GFADRO C[C@@H]1CN(S(=O)(=O)c2ccc(C[NH+](C)C)cc2)C[C@@H](c2ccsc2)O1 ZINC000477482734 564378515 /nfs/dbraw/zinc/37/85/15/564378515.db2.gz SYGJKYAROUJWER-KDOFPFPSSA-N 1 0 380.535 2.960 20 0 GFADRO OCCOc1ccc(C[NH2+]C[C@@H](O)COc2ccc(Cl)cc2Cl)cc1 ZINC000567588850 564378686 /nfs/dbraw/zinc/37/86/86/564378686.db2.gz LIUMMWFECQSOMA-OAHLLOKOSA-N 1 0 386.275 2.894 20 0 GFADRO COc1ccc(C(=O)Nc2cnc3c(c2)C[C@@H]([NH3+])CC3)c(Br)c1 ZINC000567669883 564381941 /nfs/dbraw/zinc/38/19/41/564381941.db2.gz SHOVQSDJSWMJKB-NSHDSACASA-N 1 0 376.254 2.921 20 0 GFADRO [NH3+]CC[C@H]1CCCCN1C(=O)[C@@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000567672090 564381972 /nfs/dbraw/zinc/38/19/72/564381972.db2.gz AYMAPAVPUOFBKJ-ZIAGYGMSSA-N 1 0 394.313 2.532 20 0 GFADRO [NH3+]CC[C@@H]1CCCCN1C(=O)[C@@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000567672088 564382233 /nfs/dbraw/zinc/38/22/33/564382233.db2.gz AYMAPAVPUOFBKJ-KGLIPLIRSA-N 1 0 394.313 2.532 20 0 GFADRO CN(C)Cc1cnc(C[NH2+]C[C@@H]2CSCCN2Cc2ccccc2)s1 ZINC000511775019 564382435 /nfs/dbraw/zinc/38/24/35/564382435.db2.gz FQNSYUFRPDKLGX-QGZVFWFLSA-N 1 0 376.595 2.912 20 0 GFADRO O=C(Cn1cc(Br)cn1)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000511818140 564383275 /nfs/dbraw/zinc/38/32/75/564383275.db2.gz SUSSYLACGFRYSN-MRXNPFEDSA-N 1 0 377.286 2.599 20 0 GFADRO CCC[NH+]1CCC(CNC(=O)C(=O)N(CC)Cc2ccc(Cl)s2)CC1 ZINC000477755055 564385463 /nfs/dbraw/zinc/38/54/63/564385463.db2.gz SDRSRROLLIFEFN-UHFFFAOYSA-N 1 0 385.961 2.988 20 0 GFADRO CCOCCOC[C@@H](O)C[NH2+][C@H]1CCCOc2c(Br)cccc21 ZINC000477921772 564390783 /nfs/dbraw/zinc/39/07/83/564390783.db2.gz OZASGSIYYMQCBM-BBRMVZONSA-N 1 0 388.302 2.666 20 0 GFADRO [NH3+]C1(CNC(=O)c2nn(-c3cccc(Br)c3)c3c2CCC3)CCC1 ZINC000567815391 564390987 /nfs/dbraw/zinc/39/09/87/564390987.db2.gz YTHCIYHOXOBRNT-UHFFFAOYSA-N 1 0 389.297 2.735 20 0 GFADRO Cc1[nH]c(=O)c(C(=O)N(CC[NH3+])CCc2ccccc2)cc1Br ZINC000567836418 564392024 /nfs/dbraw/zinc/39/20/24/564392024.db2.gz ZRQOQSZNKXGFMP-UHFFFAOYSA-N 1 0 378.270 2.502 20 0 GFADRO Ic1cnc(CNC2CC[NH+](CC3CC3)CC2)s1 ZINC000512117480 564392368 /nfs/dbraw/zinc/39/23/68/564392368.db2.gz WGHJYFNGINFVSU-UHFFFAOYSA-N 1 0 377.295 2.712 20 0 GFADRO [NH3+][C@@H]1CCC[C@H](CNS(=O)(=O)c2cccc(Cl)c2Br)C1 ZINC000567862192 564392407 /nfs/dbraw/zinc/39/24/07/564392407.db2.gz RMDXBUUYEBOFTL-VHSXEESVSA-N 1 0 381.723 2.898 20 0 GFADRO COc1cc(OC)c(S(=O)(=O)NCC[NH2+]C2CCCCCC2)cc1Cl ZINC000567851481 564392761 /nfs/dbraw/zinc/39/27/61/564392761.db2.gz LCUGANAXEBXAGS-UHFFFAOYSA-N 1 0 390.933 2.948 20 0 GFADRO C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)CCNC(=O)Nc1ccc(Br)cc1 ZINC000512112654 564392734 /nfs/dbraw/zinc/39/27/34/564392734.db2.gz AGTZQTORFKVLIU-CHWSQXEVSA-N 1 0 397.317 2.512 20 0 GFADRO CC(C)[C@H](O)C(C)(C)C[NH2+]CCS(=O)(=O)c1cccc(Br)c1 ZINC000567872513 564393426 /nfs/dbraw/zinc/39/34/26/564393426.db2.gz ANRDZRWTMSPEOE-HNNXBMFYSA-N 1 0 392.359 2.856 20 0 GFADRO CC(C)(CCO)C[NH2+]C[C@H](O)COc1ccc(Cl)cc1Br ZINC000567875276 564393931 /nfs/dbraw/zinc/39/39/31/564393931.db2.gz ALCOUYHSDTYDTI-LBPRGKRZSA-N 1 0 380.710 2.840 20 0 GFADRO Cc1cc(I)ccc1NC(=O)C[NH2+][C@H]1CSC[C@H]1C ZINC000512211000 564394465 /nfs/dbraw/zinc/39/44/65/564394465.db2.gz HWXKWGDRUWLWND-MFKMUULPSA-N 1 0 390.290 2.879 20 0 GFADRO O=C(C[NH2+]Cc1ccc2c(c1)NC(=O)CO2)Nc1cccc(Br)c1 ZINC000512213914 564394502 /nfs/dbraw/zinc/39/45/02/564394502.db2.gz QAQUBBAZTIBNRO-UHFFFAOYSA-N 1 0 390.237 2.508 20 0 GFADRO COc1ccc(CN2CCC(CO)([NH2+]CC3CC3)CC2)c(Br)c1 ZINC000567903478 564395554 /nfs/dbraw/zinc/39/55/54/564395554.db2.gz TXLPUCHLGRBDSG-UHFFFAOYSA-N 1 0 383.330 2.784 20 0 GFADRO CCC[C@@]1([NH2+]CCS(=O)(=O)c2cccc(Br)c2)CCOC1 ZINC000512253613 564395776 /nfs/dbraw/zinc/39/57/76/564395776.db2.gz QZEUDZIHBIDDOU-OAHLLOKOSA-N 1 0 376.316 2.772 20 0 GFADRO COc1ccc(Br)c(CC(=O)N2CC[N@@H+](C3CC3)C[C@@H](C)C2)c1 ZINC000452174197 564397746 /nfs/dbraw/zinc/39/77/46/564397746.db2.gz PBGVTODIDPOXFF-CYBMUJFWSA-N 1 0 381.314 2.943 20 0 GFADRO CN1C(=O)C[C@H](C(=O)N2CCC[N@H+](C)CC2)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000478231235 564397765 /nfs/dbraw/zinc/39/77/65/564397765.db2.gz QHBFJKZRCBVSGC-SUMWQHHRSA-N 1 0 384.307 2.677 20 0 GFADRO C[C@H]1CN(C(=O)c2cc(Br)c3c(c2)OCCO3)CC[N@@H+](C2CC2)C1 ZINC000452168549 564398478 /nfs/dbraw/zinc/39/84/78/564398478.db2.gz FFRWAHAKLWEYCP-GFCCVEGCSA-N 1 0 395.297 2.777 20 0 GFADRO C[C@H](Oc1cccc(Cl)c1Cl)C(=O)N[C@H](CO)C[NH+]1CCCCC1 ZINC000512374577 564399840 /nfs/dbraw/zinc/39/98/40/564399840.db2.gz GWKDNDKFUNOSQG-STQMWFEESA-N 1 0 375.296 2.724 20 0 GFADRO CSc1nccn1-c1ccc(C(=O)N2C[C@@H](SC)[C@H]([NH+](C)C)C2)cc1 ZINC000478405022 564401891 /nfs/dbraw/zinc/40/18/91/564401891.db2.gz ZHTMSNOHGCZLSZ-HZPDHXFCSA-N 1 0 376.551 2.712 20 0 GFADRO [NH3+]CCC1CCN(C(=O)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000568072072 564403490 /nfs/dbraw/zinc/40/34/90/564403490.db2.gz MCNAJXKSWBJIHE-UHFFFAOYSA-N 1 0 377.794 2.885 20 0 GFADRO CC(C)[N@H+](C)CC(=O)NCc1ccc(I)cc1Cl ZINC000478497766 564404705 /nfs/dbraw/zinc/40/47/05/564404705.db2.gz BWKKFXUNAQMSAW-UHFFFAOYSA-N 1 0 380.657 2.901 20 0 GFADRO CS(=O)(=O)N[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(Sc2ccccn2)o1 ZINC000512563198 564406019 /nfs/dbraw/zinc/40/60/19/564406019.db2.gz CPBINPVWGGSNCG-CABCVRRESA-N 1 0 381.523 2.776 20 0 GFADRO [NH3+]CCc1ccccc1C(=O)N[C@H]1CCN(c2ccccc2Br)C1 ZINC000568153364 564407407 /nfs/dbraw/zinc/40/74/07/564407407.db2.gz CIZKYLHKZRWOLB-HNNXBMFYSA-N 1 0 388.309 2.959 20 0 GFADRO O=C(CSc1cccc(Br)c1)NC[C@H]1CCC[N@H+]1CCCO ZINC000452357156 564407855 /nfs/dbraw/zinc/40/78/55/564407855.db2.gz DSPOWVULGCEJQX-CQSZACIVSA-N 1 0 387.343 2.504 20 0 GFADRO O=C(CCCc1ccc(Br)s1)NC[C@@H]1CCC[N@H+]1CCCO ZINC000452351887 564407988 /nfs/dbraw/zinc/40/79/88/564407988.db2.gz QTMZPNUYNCYCHB-ZDUSSCGKSA-N 1 0 389.359 2.796 20 0 GFADRO O=C(c1scnc1C(F)(F)F)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000568191828 564408252 /nfs/dbraw/zinc/40/82/52/564408252.db2.gz UDSZHMJVSSBQSD-UHFFFAOYSA-N 1 0 377.432 2.736 20 0 GFADRO C[C@H](Oc1cc(Cl)cc(Cl)c1)C(=O)NC[C@@H]1CCC[N@@H+]1CCCO ZINC000452355859 564408318 /nfs/dbraw/zinc/40/83/18/564408318.db2.gz ZCYMZDZXCQGCJZ-WFASDCNBSA-N 1 0 375.296 2.724 20 0 GFADRO CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CCNC(=O)[C@@H]1c1ccc(Br)cc1 ZINC000478577916 564408394 /nfs/dbraw/zinc/40/83/94/564408394.db2.gz BEJHLPBMCBLOAC-WFASDCNBSA-N 1 0 396.329 2.615 20 0 GFADRO O=C(N[C@@H]1CCC[N@@H+](CCCO)C1)c1cc2ccc(Br)cc2[nH]1 ZINC000452376210 564410153 /nfs/dbraw/zinc/41/01/53/564410153.db2.gz NWDOJAQOYNYWJF-CQSZACIVSA-N 1 0 380.286 2.507 20 0 GFADRO CC(C)Oc1cc(Br)ccc1C(=O)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000452378039 564410273 /nfs/dbraw/zinc/41/02/73/564410273.db2.gz UUDBXVWHOVGWOD-HNNXBMFYSA-N 1 0 399.329 2.813 20 0 GFADRO Fc1cc2ncnc(N3CC[NH+](C[C@@H]4CCOC4)CC3)c2cc1Br ZINC000545165734 564411271 /nfs/dbraw/zinc/41/12/71/564411271.db2.gz QKVPLDKMNIIBRY-LBPRGKRZSA-N 1 0 395.276 2.690 20 0 GFADRO Cc1cc(CCC(=O)NC[C@@H]2CCCC[N@@H+]2CCO)ccc1Br ZINC000452385867 564411355 /nfs/dbraw/zinc/41/13/55/564411355.db2.gz DTMIKBMIYZNVLZ-INIZCTEOSA-N 1 0 383.330 2.653 20 0 GFADRO CN(C)S(=O)(=O)N1CCCC[C@H]1C[NH2+]Cc1csc(Cl)c1Cl ZINC000568320921 564414059 /nfs/dbraw/zinc/41/40/59/564414059.db2.gz REKAKQBLQZKJQG-NSHDSACASA-N 1 0 386.370 2.805 20 0 GFADRO COc1ccc(C[NH2+]C[C@H]2CCCC[C@@H]2NS(C)(=O)=O)c(Cl)c1OC ZINC000512856794 564414767 /nfs/dbraw/zinc/41/47/67/564414767.db2.gz OOVQMEFRWDRGNT-OCCSQVGLSA-N 1 0 390.933 2.555 20 0 GFADRO COC(=O)c1cn(CC[NH2+][C@@H]2CC(C)(C)c3ccc(Br)cc32)nn1 ZINC000568421399 564418406 /nfs/dbraw/zinc/41/84/06/564418406.db2.gz AXCLACVVARNFHK-CQSZACIVSA-N 1 0 393.285 2.839 20 0 GFADRO Cc1ccc(Br)c(S(=O)(=O)NCC[NH2+][C@@H]2CCC[C@H]2C)c1 ZINC000513041145 564419048 /nfs/dbraw/zinc/41/90/48/564419048.db2.gz NDCCQEVAWHMNMN-TZMCWYRMSA-N 1 0 375.332 2.814 20 0 GFADRO C[S@](=O)c1ccc(C[NH2+]C2CCN(C(=O)c3cc(Cl)c[nH]3)CC2)cc1 ZINC000513037966 564419107 /nfs/dbraw/zinc/41/91/07/564419107.db2.gz VMVPTSRZJQEALS-VWLOTQADSA-N 1 0 379.913 2.800 20 0 GFADRO CC[N@H+]1C[C@@H](C)N(C(=O)c2csc(I)c2)[C@@H](C)C1 ZINC000568438302 564419420 /nfs/dbraw/zinc/41/94/20/564419420.db2.gz OMWXKECUHBMAQV-AOOOYVTPSA-N 1 0 378.279 2.907 20 0 GFADRO COC(=O)C[C@@](C)([NH2+]CCc1ccnn1C)c1ccc(Br)cc1 ZINC000513121525 564420939 /nfs/dbraw/zinc/42/09/39/564420939.db2.gz FFZSCCWTLVIYCT-QGZVFWFLSA-N 1 0 380.286 2.793 20 0 GFADRO CC(C)NS(=O)(=O)CC[NH2+][C@H](Cc1cccnc1)c1ccc(Cl)cc1 ZINC000545460761 564424618 /nfs/dbraw/zinc/42/46/18/564424618.db2.gz VFZSQVMXAXNKSO-GOSISDBHSA-N 1 0 381.929 2.936 20 0 GFADRO C[C@@H]1C[C@H](N(C)C(=O)c2ccc(I)c(O)c2)CC[N@@H+]1C ZINC000545506686 564426521 /nfs/dbraw/zinc/42/65/21/564426521.db2.gz VSLWHHFSDQLPHJ-ZYHUDNBSSA-N 1 0 388.249 2.552 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S(=O)(=O)CC[NH2+]CCC1=CCCC1 ZINC000568621366 564426591 /nfs/dbraw/zinc/42/65/91/564426591.db2.gz YITGOODTDXDFKQ-UHFFFAOYSA-N 1 0 385.551 2.734 20 0 GFADRO CC(=O)Nc1ccc(S(=O)(=O)NCC[N@@H+](C)C2CCCCC2)cc1Cl ZINC000479184943 564430101 /nfs/dbraw/zinc/43/01/01/564430101.db2.gz NPMUMZZQZPTFQR-UHFFFAOYSA-N 1 0 387.933 2.841 20 0 GFADRO CCOCCOC[C@@H](O)C[NH2+][C@H]1CCSc2ccc(Br)cc21 ZINC000513472925 564430316 /nfs/dbraw/zinc/43/03/16/564430316.db2.gz OIXOUTGSHCUWKY-ZFWWWQNUSA-N 1 0 390.343 2.990 20 0 GFADRO [NH3+]C[C@H](C(=O)N1CCN(Cc2ccc(Cl)s2)CC1)c1ccc(F)cc1 ZINC000479202547 564430909 /nfs/dbraw/zinc/43/09/09/564430909.db2.gz CNWFYDLQDOQSAG-INIZCTEOSA-N 1 0 381.904 2.927 20 0 GFADRO Cn1ncc(Br)c1C(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000568714829 564431511 /nfs/dbraw/zinc/43/15/11/564431511.db2.gz CSLIOQMZBWPQBA-CYBMUJFWSA-N 1 0 385.693 2.869 20 0 GFADRO COc1cc(C(=O)NCC[N@H+]2CC=C(C)CC2)cc(OC)c1Br ZINC000545870452 564434754 /nfs/dbraw/zinc/43/47/54/564434754.db2.gz YOYIDXODTBRPSR-UHFFFAOYSA-N 1 0 383.286 2.848 20 0 GFADRO CCc1ncc(S(=O)(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)s1 ZINC000545891415 564435276 /nfs/dbraw/zinc/43/52/76/564435276.db2.gz YAJWVHLBIWGIAK-ZBFHGGJFSA-N 1 0 379.551 2.894 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)C(=O)NCCC[N@H+](C)C(C)C ZINC000479299852 564435438 /nfs/dbraw/zinc/43/54/38/564435438.db2.gz JVGLLOKMKUYABY-UHFFFAOYSA-N 1 0 384.318 2.797 20 0 GFADRO CN(CCC[NH+]1CCCC1)C(=O)Cc1cccc(I)c1 ZINC000545986405 564438962 /nfs/dbraw/zinc/43/89/62/564438962.db2.gz HLKYAWZXMKKWSL-UHFFFAOYSA-N 1 0 386.277 2.778 20 0 GFADRO [NH3+]CC[C@H]1CCCN(C(=O)c2ncc(Br)cc2Br)C1 ZINC000568864178 564439196 /nfs/dbraw/zinc/43/91/96/564439196.db2.gz BCJDLGNNYRZDSY-SECBINFHSA-N 1 0 391.107 2.808 20 0 GFADRO CCC[NH2+]CCNC(=O)c1c(C)nn(-c2ccc(Br)cc2)c1C ZINC000568866209 564439268 /nfs/dbraw/zinc/43/92/68/564439268.db2.gz KYWTUAAIOLJNKB-UHFFFAOYSA-N 1 0 379.302 2.981 20 0 GFADRO CS(=O)(=O)N1CCC[C@@H]1C[NH2+][C@H]1CCCc2cc(Br)ccc21 ZINC000479416194 564439619 /nfs/dbraw/zinc/43/96/19/564439619.db2.gz WKRYLTPUTJRQOQ-ZBFHGGJFSA-N 1 0 387.343 2.840 20 0 GFADRO CCCC[N@H+](C)C[C@@H](C)NS(=O)(=O)c1ccc(C(=O)OC)c(Cl)c1 ZINC000568934214 564441871 /nfs/dbraw/zinc/44/18/71/564441871.db2.gz BSJGWEHVEBTCCC-GFCCVEGCSA-N 1 0 376.906 2.525 20 0 GFADRO CC[NH+](CC)CCCNC(=O)NCC(=O)Nc1ccc(Br)c(C)c1 ZINC000513898981 564441919 /nfs/dbraw/zinc/44/19/19/564441919.db2.gz UKKZPOMKDXDQRD-UHFFFAOYSA-N 1 0 399.333 2.727 20 0 GFADRO C[C@H](c1ccccc1Br)[N@H+](C)C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000513897077 564442139 /nfs/dbraw/zinc/44/21/39/564442139.db2.gz KCWCHPMQIDMNGH-CHWSQXEVSA-N 1 0 375.332 2.723 20 0 GFADRO C[C@H]([NH2+]CCN1CC=CCC1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000479514174 564442633 /nfs/dbraw/zinc/44/26/33/564442633.db2.gz PREWWVHOQXPOEK-NSHDSACASA-N 1 0 378.325 2.553 20 0 GFADRO C[C@H]1[NH2+]CCN(S(=O)(=O)Cc2ccc(Cl)cc2Br)[C@H]1C ZINC000568983736 564443454 /nfs/dbraw/zinc/44/34/54/564443454.db2.gz MYRSDNYATOCNIB-ZJUUUORDSA-N 1 0 381.723 2.615 20 0 GFADRO C[C@@H]([NH2+]C(C)(C)CNS(=O)(=O)CCOCC(F)(F)F)c1ccccc1 ZINC000569039522 564446174 /nfs/dbraw/zinc/44/61/74/564446174.db2.gz ZFZHLYXGFDWDAX-CYBMUJFWSA-N 1 0 382.448 2.614 20 0 GFADRO CC(=O)N1CC[C@H]([NH2+][C@@H](C)c2ccc(F)c(I)c2)C1 ZINC000453148780 564448675 /nfs/dbraw/zinc/44/86/75/564448675.db2.gz PWGJTMLXVJYQCQ-CABZTGNLSA-N 1 0 376.213 2.702 20 0 GFADRO C[C@H]([NH2+][C@H]1CCc2ncnn2C1)c1ccc(F)c(I)c1 ZINC000453155085 564448695 /nfs/dbraw/zinc/44/86/95/564448695.db2.gz FBQMDSYEKWWSGM-ONGXEEELSA-N 1 0 386.212 2.687 20 0 GFADRO CCOC(=O)[C@H](C)[C@H](C)[NH2+][C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000514248789 564448774 /nfs/dbraw/zinc/44/87/74/564448774.db2.gz VTWYYGSWHDRCNE-TYNCELHUSA-N 1 0 383.286 2.732 20 0 GFADRO C[NH+](C)CC1(NS(=O)(=O)c2cccc(Cl)c2Br)CCC1 ZINC000546197897 564448936 /nfs/dbraw/zinc/44/89/36/564448936.db2.gz VJUIOVSSTSGZLM-UHFFFAOYSA-N 1 0 381.723 2.865 20 0 GFADRO COC1([C@H](C)[NH2+]Cc2cn(-c3ccccc3Br)nn2)CCOCC1 ZINC000453157380 564448981 /nfs/dbraw/zinc/44/89/81/564448981.db2.gz IORSYTHVCQSDJW-ZDUSSCGKSA-N 1 0 395.301 2.704 20 0 GFADRO Cc1cccc(Br)c1C(=O)N1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000569100914 564449060 /nfs/dbraw/zinc/44/90/60/564449060.db2.gz OODAOIJFHPLJBC-MRXNPFEDSA-N 1 0 394.357 2.998 20 0 GFADRO CNC(=O)C(C)(C)C[NH2+][C@@H](C)c1ccc(F)c(I)c1 ZINC000453165368 564449226 /nfs/dbraw/zinc/44/92/26/564449226.db2.gz OXOQKRLAYBIUQL-VIFPVBQESA-N 1 0 378.229 2.853 20 0 GFADRO CC(C)[C@H](Cn1cccn1)[NH2+]C[C@H](O)COc1ccccc1Br ZINC000453151449 564449118 /nfs/dbraw/zinc/44/91/18/564449118.db2.gz UUBOIMDAFUXTGY-HOCLYGCPSA-N 1 0 382.302 2.700 20 0 GFADRO CC[NH+]1CCC(N(C)S(=O)(=O)c2cc(Br)cc(OC)c2)CC1 ZINC000546178957 564449167 /nfs/dbraw/zinc/44/91/67/564449167.db2.gz YAEGMEFZZSNBDX-UHFFFAOYSA-N 1 0 391.331 2.563 20 0 GFADRO CC[N@@H+]1C[C@H](C)N(C(=O)c2ccc(I)c(O)c2)C[C@H]1C ZINC000546203627 564450109 /nfs/dbraw/zinc/45/01/09/564450109.db2.gz IBBXALWIQMPFHV-MNOVXSKESA-N 1 0 388.249 2.552 20 0 GFADRO CC[C@H](N[C@H](C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1)C(F)F ZINC000453246133 564450347 /nfs/dbraw/zinc/45/03/47/564450347.db2.gz MIZBGQYTIPJCQY-CJNGLKHVSA-N 1 0 377.501 2.611 20 0 GFADRO C[C@@H]([NH2+]C[C@@H]1CCCCN1CCO)c1ccc(I)cc1 ZINC000453261105 564450793 /nfs/dbraw/zinc/45/07/93/564450793.db2.gz JWDOECDPYGWSFN-CJNGLKHVSA-N 1 0 388.293 2.789 20 0 GFADRO COC[C@@](C)(O)CC[NH2+][C@@H](C)c1ccc(F)c(I)c1 ZINC000453244547 564451182 /nfs/dbraw/zinc/45/11/82/564451182.db2.gz AXUXJXPMKBFOQN-HZMBPMFUSA-N 1 0 381.229 2.868 20 0 GFADRO CC[C@H](CNS(C)(=O)=O)[NH2+][C@@H](C)c1cnn(-c2cccc(Cl)c2)c1C ZINC000453289516 564452067 /nfs/dbraw/zinc/45/20/67/564452067.db2.gz RYHLHYDSWMNPRR-SWLSCSKDSA-N 1 0 384.933 2.813 20 0 GFADRO O=S1(=O)CC[C@](O)(C[NH2+][C@H](Cc2ccc(Cl)cc2)c2ccccc2)C1 ZINC000453278153 564452105 /nfs/dbraw/zinc/45/21/05/564452105.db2.gz PCNIGRCKWHUEEN-MOPGFXCFSA-N 1 0 379.909 2.763 20 0 GFADRO CCc1nc(C(=O)N(CC[NH+](C)C)Cc2ccc(Br)cc2)no1 ZINC000479874694 564452495 /nfs/dbraw/zinc/45/24/95/564452495.db2.gz PSGFNMUJDSGHIL-UHFFFAOYSA-N 1 0 381.274 2.599 20 0 GFADRO C[C@@H]1CN(C(=O)[C@H](c2ccc(Br)cc2)N2CCCC2)CC[C@H]1[NH3+] ZINC000569218594 564453679 /nfs/dbraw/zinc/45/36/79/564453679.db2.gz ABRYDKXUKSYHQD-XYPHTWIQSA-N 1 0 380.330 2.782 20 0 GFADRO C[C@@H]([NH2+]C[C@H]1CCCC[C@@H]1O)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000453351991 564454043 /nfs/dbraw/zinc/45/40/43/564454043.db2.gz NBJQCGUKUSAOKY-RULNRJAQSA-N 1 0 381.325 2.843 20 0 GFADRO CC(C)[N@@H+]1CC[C@@H](CNCc2cn(-c3ccccc3Br)nn2)C1 ZINC000514696537 564454760 /nfs/dbraw/zinc/45/47/60/564454760.db2.gz MDUURSFZSMIJCH-AWEZNQCLSA-N 1 0 378.318 2.850 20 0 GFADRO C[C@@H]([NH2+]CC(C)(C)C(C)(C)O)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000453355677 564455065 /nfs/dbraw/zinc/45/50/65/564455065.db2.gz MONMTULLLDWYHE-SNVBAGLBSA-N 1 0 393.347 2.544 20 0 GFADRO CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC000453467801 564456930 /nfs/dbraw/zinc/45/69/30/564456930.db2.gz NBTZQUKAHDBECD-UHFFFAOYSA-N 1 0 381.322 2.976 20 0 GFADRO C[NH+](C)CCOc1cnccc1CNC(=O)Nc1cncc(Br)c1 ZINC000569287206 564457142 /nfs/dbraw/zinc/45/71/42/564457142.db2.gz SUVNFUCSMVFJPU-UHFFFAOYSA-N 1 0 394.273 2.501 20 0 GFADRO O=C(NCCc1cc(Br)ccc1F)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000514783877 564457493 /nfs/dbraw/zinc/45/74/93/564457493.db2.gz LYIVOGZERYBNHK-KCQAQPDRSA-N 1 0 384.293 2.818 20 0 GFADRO Cc1cc(Br)c(C[NH2+][C@@H]2CCC[C@H]2CNS(C)(=O)=O)s1 ZINC000453571644 564458489 /nfs/dbraw/zinc/45/84/89/564458489.db2.gz DUWPVMTZEJEHQW-CMPLNLGQSA-N 1 0 381.361 2.627 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]C[C@H]1CC[C@H](C)O1 ZINC000453636309 564461513 /nfs/dbraw/zinc/46/15/13/564461513.db2.gz WPOWTAHRCQNFCM-SLEUVZQESA-N 1 0 385.302 2.620 20 0 GFADRO O=C(Nc1cc(Cl)cc(Br)c1)C(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000453657295 564462911 /nfs/dbraw/zinc/46/29/11/564462911.db2.gz OHLXWTPHBIFNFA-AWEZNQCLSA-N 1 0 398.688 2.514 20 0 GFADRO CC(C)CC[NH+]1CCC(CNc2ncc(I)cn2)CC1 ZINC000546622818 564463136 /nfs/dbraw/zinc/46/31/36/564463136.db2.gz MSWJTRDVDDTQEQ-UHFFFAOYSA-N 1 0 388.297 3.251 20 0 GFADRO C[C@@H](Cn1cccn1)[NH2+][C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000480193799 564463386 /nfs/dbraw/zinc/46/33/86/564463386.db2.gz FIWACYIGMLLEDN-FZMZJTMJSA-N 1 0 384.299 2.542 20 0 GFADRO Cc1cc(C)c(C(=O)NCCCC[NH+]2CCN(C)CC2)cc1Br ZINC000514992031 564464416 /nfs/dbraw/zinc/46/44/16/564464416.db2.gz ZZLLJEYRFXNDJF-UHFFFAOYSA-N 1 0 382.346 2.823 20 0 GFADRO Cc1ccc(F)c(Br)c1NC(=O)C(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000453677607 564464553 /nfs/dbraw/zinc/46/45/53/564464553.db2.gz PPHLTEJOURUHNR-WDEREUQCSA-N 1 0 398.276 2.577 20 0 GFADRO CC(C)C[C@H](CO)[NH2+][C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000480226132 564464706 /nfs/dbraw/zinc/46/47/06/564464706.db2.gz HCOYCHKJXSDURQ-OCCSQVGLSA-N 1 0 376.316 2.664 20 0 GFADRO COC1(C(=O)N[C@@H]2CCCN(c3ccc(Cl)cc3Cl)C2)CC[NH2+]CC1 ZINC000569459785 564464798 /nfs/dbraw/zinc/46/47/98/564464798.db2.gz XCPUUTQQUPXPIH-CQSZACIVSA-N 1 0 386.323 2.847 20 0 GFADRO Cn1cc(CCC[NH2+][C@H]2CCS(=O)(=O)c3ccc(Br)cc32)cn1 ZINC000480251818 564466276 /nfs/dbraw/zinc/46/62/76/564466276.db2.gz ICHVFWSMALDUEX-HNNXBMFYSA-N 1 0 398.326 2.624 20 0 GFADRO O=S1(=O)CC[C@@](O)(C[NH2+][C@H](Cc2ccccc2Cl)c2ccsc2)C1 ZINC000515038415 564467075 /nfs/dbraw/zinc/46/70/75/564467075.db2.gz FCOGPWYKISQBJH-IAGOWNOFSA-N 1 0 385.938 2.825 20 0 GFADRO CCN(CC[NH+]1CCCCCC1)C(=O)NCc1nn(C)cc1Br ZINC000515043172 564467105 /nfs/dbraw/zinc/46/71/05/564467105.db2.gz XLKBAECJETXLTF-UHFFFAOYSA-N 1 0 386.338 2.590 20 0 GFADRO CN(CC[NH+]1CCCC1)C(=O)C(=O)Nc1cc(Cl)cc(Br)c1 ZINC000453706395 564467283 /nfs/dbraw/zinc/46/72/83/564467283.db2.gz JLZKVPDOJYCXGI-UHFFFAOYSA-N 1 0 388.693 2.595 20 0 GFADRO O=C(NC[C@H]1C[NH2+]CCO1)N(Cc1ccccc1Br)C1CCCC1 ZINC000569559080 564468470 /nfs/dbraw/zinc/46/84/70/564468470.db2.gz JURLKDCTAWMZBO-MRXNPFEDSA-N 1 0 396.329 2.892 20 0 GFADRO COC[C@H](C)OC[C@@H](O)C[NH2+]CCc1cc(Cl)ccc1Br ZINC000569569087 564469309 /nfs/dbraw/zinc/46/93/09/564469309.db2.gz VJPMHMGOEMFFNV-FZMZJTMJSA-N 1 0 380.710 2.647 20 0 GFADRO CSC1(CNC(=O)C(=O)Nc2cc(C)c(C)cc2Cl)CC[NH+](C)CC1 ZINC000453746806 564469422 /nfs/dbraw/zinc/46/94/22/564469422.db2.gz IUIMRUKJIFPYKR-UHFFFAOYSA-N 1 0 383.945 2.839 20 0 GFADRO Cc1ccc(NC(=O)C(=O)N2CC[N@@H+](C3CC3)C[C@@H](C)C2)cc1Br ZINC000453770729 564470986 /nfs/dbraw/zinc/47/09/86/564470986.db2.gz MGSVLXIXJHGDLI-GFCCVEGCSA-N 1 0 394.313 2.639 20 0 GFADRO NC(=O)[C@@H]1CCC[N@H+](CCCNCc2cc(Br)c(Cl)s2)C1 ZINC000480387031 564471000 /nfs/dbraw/zinc/47/10/00/564471000.db2.gz JJIYSXKYWGSGBG-SNVBAGLBSA-N 1 0 394.766 2.841 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)C(=O)N1CC[N@@H+](C2CC2)C[C@H](C)C1 ZINC000453771657 564471399 /nfs/dbraw/zinc/47/13/99/564471399.db2.gz NYRWWXPMVHMHBW-LBPRGKRZSA-N 1 0 394.313 2.639 20 0 GFADRO CC[C@@H](NC(=O)C(=O)Nc1ccc(CN(C)C)c(Br)c1)C(F)F ZINC000453786830 564471989 /nfs/dbraw/zinc/47/19/89/564471989.db2.gz GMRKMEBWTQSKIF-GFCCVEGCSA-N 1 0 392.244 2.609 20 0 GFADRO C[N@H+]1CC=C(CNS(=O)(=O)c2cc(Br)sc2Cl)CC1 ZINC000546877805 564472571 /nfs/dbraw/zinc/47/25/71/564472571.db2.gz XEQUIONXWUBBEN-UHFFFAOYSA-N 1 0 385.736 2.704 20 0 GFADRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)c1cnc(Sc2nccn2C)c(Cl)c1 ZINC000515231586 564473320 /nfs/dbraw/zinc/47/33/20/564473320.db2.gz GZLUAHHHYXFAKA-CYBMUJFWSA-N 1 0 379.917 2.786 20 0 GFADRO O=S(=O)(c1ccc(Br)cc1)N1CCC[C@H]([NH2+]Cc2ccco2)C1 ZINC000480453460 564474292 /nfs/dbraw/zinc/47/42/92/564474292.db2.gz KMHMJOOMWVPKSP-AWEZNQCLSA-N 1 0 399.310 2.985 20 0 GFADRO COc1ccc(S(=O)(=O)NCC2([NH+](C)C)CCCC2)c(Br)c1 ZINC000480472628 564475405 /nfs/dbraw/zinc/47/54/05/564475405.db2.gz QMPZLVFNCKJSAS-UHFFFAOYSA-N 1 0 391.331 2.610 20 0 GFADRO CC(C)c1cc(Br)ccc1NC(=O)C(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000453920976 564481785 /nfs/dbraw/zinc/48/17/85/564481785.db2.gz RVMISBDOCMJPQE-BLLLJJGKSA-N 1 0 394.313 2.674 20 0 GFADRO Cc1cc([C@@H](C)NC(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)c(C)s1 ZINC000569911290 564483957 /nfs/dbraw/zinc/48/39/57/564483957.db2.gz PIHWJGGLLARSKG-BXUZGUMPSA-N 1 0 378.464 2.561 20 0 GFADRO Cc1cc([C@H](C)NC(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)c(C)s1 ZINC000569911293 564483981 /nfs/dbraw/zinc/48/39/81/564483981.db2.gz PIHWJGGLLARSKG-SMDDNHRTSA-N 1 0 378.464 2.561 20 0 GFADRO CC[NH+](CC)C[C@@H](C)NS(=O)(=O)c1cc(Cl)ccc1O[C@H](C)COC ZINC000480716037 564483946 /nfs/dbraw/zinc/48/39/46/564483946.db2.gz WARAUJZWPNHUEF-ZIAGYGMSSA-N 1 0 392.949 2.762 20 0 GFADRO CC[C@@H]([NH2+]Cc1cc2cc(Br)ccc2o1)C(=O)N1CCOCC1 ZINC000515672715 564485181 /nfs/dbraw/zinc/48/51/81/564485181.db2.gz JGACYCNHNKHSLG-OAHLLOKOSA-N 1 0 381.270 2.922 20 0 GFADRO O=S(=O)(NCC[NH2+][C@@H]1CCC[C@@H]([C@H]2CCOC2)C1)c1ccc(Cl)s1 ZINC000547361451 564486314 /nfs/dbraw/zinc/48/63/14/564486314.db2.gz YTFFSFZGZKYQGN-HZSPNIEDSA-N 1 0 392.974 2.865 20 0 GFADRO COc1ccc(S(=O)(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)c(Br)c1 ZINC000480760871 564487610 /nfs/dbraw/zinc/48/76/10/564487610.db2.gz BUEDNYLCRSPIEG-RYUDHWBXSA-N 1 0 391.331 2.609 20 0 GFADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH+]1CCC2(CCO2)CC1 ZINC000570036633 564488342 /nfs/dbraw/zinc/48/83/42/564488342.db2.gz FSRKVHPQAQWLGX-CYBMUJFWSA-N 1 0 397.313 2.717 20 0 GFADRO O=C(Nc1nc(-c2ccc(F)c(Cl)c2)cs1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000480834591 564489863 /nfs/dbraw/zinc/48/98/63/564489863.db2.gz REYIOGAOKRUZEN-OAHLLOKOSA-N 1 0 380.876 2.931 20 0 GFADRO CCS[C@@H]1CCCC[N@H+](CCOc2ccc(S(=O)(=O)N(C)C)cc2)C1 ZINC000480867178 564492010 /nfs/dbraw/zinc/49/20/10/564492010.db2.gz SJGANEAZPYOQJH-QGZVFWFLSA-N 1 0 386.583 2.923 20 0 GFADRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NS(=O)(=O)c1cc(Br)ccc1Cl ZINC000480869440 564492239 /nfs/dbraw/zinc/49/22/39/564492239.db2.gz DUADPHYLCAHTPO-TVQRCGJNSA-N 1 0 393.734 2.864 20 0 GFADRO O[C@H](COC[C@H]1CCCO1)C[N@@H+]1CC[C@H](Cc2ccc(Br)cc2)C1 ZINC000570235710 564497383 /nfs/dbraw/zinc/49/73/83/564497383.db2.gz WSOZQBFDJFZVHA-NZSAHSFTSA-N 1 0 398.341 2.870 20 0 GFADRO CN(Cc1nc(C2([NH3+])CCCCC2)no1)S(=O)(=O)c1ccc(Cl)s1 ZINC000516275214 564498494 /nfs/dbraw/zinc/49/84/94/564498494.db2.gz YLVWJPXXDPXFOK-UHFFFAOYSA-N 1 0 390.918 2.723 20 0 GFADRO OCC1([C@@H]([NH2+]Cc2ncc(Br)s2)C2CCOCC2)CCC1 ZINC000570325602 564501074 /nfs/dbraw/zinc/50/10/74/564501074.db2.gz GNBXPFCTOQXZMU-AWEZNQCLSA-N 1 0 375.332 2.953 20 0 GFADRO NC(=O)NC(=O)CC[NH2+]CC1(c2ccc(Br)cc2)CCCCC1 ZINC000516454817 564502605 /nfs/dbraw/zinc/50/26/05/564502605.db2.gz XSUQWMGZNOEILI-UHFFFAOYSA-N 1 0 382.302 2.826 20 0 GFADRO CO[C@H]1CCN(C(=O)CCSc2ccc(Br)cc2)[C@@H](C[NH3+])C1 ZINC000516562650 564505184 /nfs/dbraw/zinc/50/51/84/564505184.db2.gz LJBYYNKCMHQTLB-KGLIPLIRSA-N 1 0 387.343 2.896 20 0 GFADRO C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@@H]1CCn2ccnc2C1 ZINC000547654660 564505734 /nfs/dbraw/zinc/50/57/34/564505734.db2.gz WKBGGIXFKUACAB-SWLSCSKDSA-N 1 0 377.286 2.967 20 0 GFADRO O=S(=O)(CCOCC(F)(F)F)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000516603643 564506040 /nfs/dbraw/zinc/50/60/40/564506040.db2.gz FBUFTDUHHNPIQF-UHFFFAOYSA-N 1 0 386.480 2.674 20 0 GFADRO CCOc1c(Br)cc(CN2CC[NH2+]C[C@](C)(F)C2)cc1OC ZINC000516569761 564506245 /nfs/dbraw/zinc/50/62/45/564506245.db2.gz FZTYPPCDDJELID-INIZCTEOSA-N 1 0 375.282 2.990 20 0 GFADRO Cc1cc(Br)cc(C)c1S(=O)(=O)NC[C@H](C)[NH+]1CCCC1 ZINC000547715956 564508534 /nfs/dbraw/zinc/50/85/34/564508534.db2.gz HLVISYGXXFGKDV-ZDUSSCGKSA-N 1 0 375.332 2.829 20 0 GFADRO OCC[N@H+](Cc1cc2c(cc1Br)OCCCO2)C1CCOCC1 ZINC000547750273 564509772 /nfs/dbraw/zinc/50/97/72/564509772.db2.gz RTZBKUSCEOAVBP-UHFFFAOYSA-N 1 0 386.286 2.584 20 0 GFADRO C[N@@H+]1CC[C@@H](C(=O)Nc2cc(Br)cc(C(=O)N3CCCC3)c2)C1 ZINC000547746490 564509861 /nfs/dbraw/zinc/50/98/61/564509861.db2.gz AKJIBABIIQFXEW-GFCCVEGCSA-N 1 0 380.286 2.575 20 0 GFADRO CN(CC[NH+]1CCCC1)C(=O)C(=O)NCCCc1ccc(Cl)cc1Cl ZINC000570547327 564511666 /nfs/dbraw/zinc/51/16/66/564511666.db2.gz YNHSCJHGXCHNTL-UHFFFAOYSA-N 1 0 386.323 2.596 20 0 GFADRO CC[C@@H](CC(F)(F)F)[NH2+]C1CCN(S(=O)(=O)c2c(C)n[nH]c2C)CC1 ZINC000547848867 564513450 /nfs/dbraw/zinc/51/34/50/564513450.db2.gz JVEUCVVFOCWFAF-LBPRGKRZSA-N 1 0 382.452 2.500 20 0 GFADRO CC(C)(CNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)C[NH+]1CCCC1 ZINC000516831105 564513531 /nfs/dbraw/zinc/51/35/31/564513531.db2.gz MOUDBPMVBREUPZ-UHFFFAOYSA-N 1 0 380.432 2.986 20 0 GFADRO CC[C@H](C)[NH2+][C@H](CNC(=O)NCc1n[nH]cc1Br)c1ccco1 ZINC000570621423 564514349 /nfs/dbraw/zinc/51/43/49/564514349.db2.gz IELBVWFQMXAXFL-GXFFZTMASA-N 1 0 384.278 2.694 20 0 GFADRO COC[C@H](CNC(=O)NC[C@]1([NH+](C)C)CCSC1)c1ccc(Cl)cc1 ZINC000454596230 564516454 /nfs/dbraw/zinc/51/64/54/564516454.db2.gz FFOWWBHXFCSUKH-MAUKXSAKSA-N 1 0 385.961 2.807 20 0 GFADRO Cc1nc(CNC(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)sc1Br ZINC000454662711 564518120 /nfs/dbraw/zinc/51/81/20/564518120.db2.gz HWSJSCGMBVEPAU-ONGXEEELSA-N 1 0 375.336 2.742 20 0 GFADRO COc1cc(C[NH2+]C[C@H](CO)C(C)C)cc(I)c1OC ZINC000570720453 564518887 /nfs/dbraw/zinc/51/88/87/564518887.db2.gz JBHFHXCWDBLDMH-GFCCVEGCSA-N 1 0 393.265 2.663 20 0 GFADRO COCCOc1ccc(Cl)cc1C(=O)NCC1(SC)CC[NH+](C)CC1 ZINC000570740952 564519976 /nfs/dbraw/zinc/51/99/76/564519976.db2.gz LASUSNWXWGTGJL-UHFFFAOYSA-N 1 0 386.945 2.922 20 0 GFADRO Cc1nn(C)c(C[NH2+]C[C@H](CO)Cc2ccc(F)c(F)c2)c1Br ZINC000517278636 564530039 /nfs/dbraw/zinc/53/00/39/564530039.db2.gz UKOKCBNKNCXQOU-GFCCVEGCSA-N 1 0 388.256 2.710 20 0 GFADRO CCOC[C@H](C)CS(=O)(=O)NC[C@@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000571094070 564535114 /nfs/dbraw/zinc/53/51/14/564535114.db2.gz HIJYGXRMGAREOW-HOCLYGCPSA-N 1 0 376.950 2.577 20 0 GFADRO O=S(=O)(NCC1([NH+]2CCSCC2)CCCCC1)c1ccc(F)cc1F ZINC000482135962 564535726 /nfs/dbraw/zinc/53/57/26/564535726.db2.gz AAAARIBWPZRRGO-UHFFFAOYSA-N 1 0 390.521 2.995 20 0 GFADRO O=C(NC[C@H]1CCC[N@H+]1CCCO)Nc1ccc(Cl)cc1OC(F)F ZINC000455133463 564537953 /nfs/dbraw/zinc/53/79/53/564537953.db2.gz DDAPIGLJRWXDAH-GFCCVEGCSA-N 1 0 377.819 2.910 20 0 GFADRO CN(C(=O)c1ccc(I)c(F)c1)[C@@H]1C[NH+]2CCC1CC2 ZINC000517697115 564539246 /nfs/dbraw/zinc/53/92/46/564539246.db2.gz ISGZCTPBTXJJCX-CQSZACIVSA-N 1 0 388.224 2.597 20 0 GFADRO COCC[N@H+](C)CCCNC(=O)Nc1cc(Br)cc2nc(C)oc21 ZINC000455170454 564540639 /nfs/dbraw/zinc/54/06/39/564540639.db2.gz SBQUPBQQDMDVLH-UHFFFAOYSA-N 1 0 399.289 2.989 20 0 GFADRO C[NH2+][C@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2Br)C1 ZINC000517741891 564541038 /nfs/dbraw/zinc/54/10/38/564541038.db2.gz IARGDUKPWQKEGF-LBPRGKRZSA-N 1 0 381.723 2.616 20 0 GFADRO COCC[N@@H+]1CC[C@H](NC(=O)N[C@H](c2ccc(Cl)cc2)C(F)(F)F)C1 ZINC000482331361 564541161 /nfs/dbraw/zinc/54/11/61/564541161.db2.gz JXAZVGQQQMWCQL-UONOGXRCSA-N 1 0 379.810 2.963 20 0 GFADRO COc1c(Br)cccc1C[NH2+][C@@H](CCSC)C(=O)N(C)C ZINC000517776458 564542136 /nfs/dbraw/zinc/54/21/36/564542136.db2.gz HQBSFVPIWJDTDW-ZDUSSCGKSA-N 1 0 375.332 2.757 20 0 GFADRO CCO[C@@H]1C[C@H]([NH2+]Cc2cnn(-c3ccc(Br)cc3)c2)[C@@H]1OC ZINC000482506391 564543522 /nfs/dbraw/zinc/54/35/22/564543522.db2.gz HXRNWPDJXSOMFP-BBWFWOEESA-N 1 0 380.286 2.917 20 0 GFADRO Cc1cccc(S(=O)(=O)N2CCC(CC[NH+]3CCOCC3)CC2)c1Cl ZINC000517949057 564544139 /nfs/dbraw/zinc/54/41/39/564544139.db2.gz RARODFXAXVGXJE-UHFFFAOYSA-N 1 0 386.945 2.771 20 0 GFADRO COCCOc1ccc(Br)cc1NC(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000571298077 564544398 /nfs/dbraw/zinc/54/43/98/564544398.db2.gz QHLAWUHVSQCLAT-JSGCOSHPSA-N 1 0 398.301 2.690 20 0 GFADRO CCC[C@@H](C[NH2+]CCNS(=O)(=O)c1sc(=O)[nH]c1C)c1ccccc1 ZINC000482522151 564544741 /nfs/dbraw/zinc/54/47/41/564544741.db2.gz GZKFCNWEIHDERZ-HNNXBMFYSA-N 1 0 383.539 2.609 20 0 GFADRO CCCN(Cc1ccccc1Br)C(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000482519618 564544995 /nfs/dbraw/zinc/54/49/95/564544995.db2.gz PBSLCWSZOSYOCS-KRWDZBQOSA-N 1 0 380.330 2.578 20 0 GFADRO Cn1ncc2c1CCC[C@H]2[NH2+]C[C@@H](O)COc1cccc(Br)c1 ZINC000571315108 564545726 /nfs/dbraw/zinc/54/57/26/564545726.db2.gz BJZYMPQSTYTYSF-CZUORRHYSA-N 1 0 380.286 2.590 20 0 GFADRO Cc1cc(S(=O)(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)c(F)cc1Br ZINC000518184787 564547771 /nfs/dbraw/zinc/54/77/71/564547771.db2.gz GFUKMDXKZREZOY-HNNXBMFYSA-N 1 0 391.306 2.661 20 0 GFADRO C[N@@H+]1CC[C@@H](c2nc(COc3ccc(I)cc3)no2)C1 ZINC000518258170 564548593 /nfs/dbraw/zinc/54/85/93/564548593.db2.gz YJLQIZXXXPVVQA-SNVBAGLBSA-N 1 0 385.205 2.672 20 0 GFADRO C[C@@H](NC(=O)c1ccn(CC[NH+](C)C)n1)c1ccc(Br)cc1F ZINC000518215554 564548734 /nfs/dbraw/zinc/54/87/34/564548734.db2.gz VCASUPVHARBJDN-LLVKDONJSA-N 1 0 383.265 2.837 20 0 GFADRO CO[C@@H]1CCN(C(=O)CCCOc2ccccc2Br)[C@H](C[NH3+])C1 ZINC000571432039 564550943 /nfs/dbraw/zinc/55/09/43/564550943.db2.gz BNYDJNRREIWCMO-UONOGXRCSA-N 1 0 385.302 2.573 20 0 GFADRO CCN(CC)c1nc2sc(C(=O)N3CC[C@@H](OC)C[C@@H]3C[NH3+])cc2s1 ZINC000571449536 564551974 /nfs/dbraw/zinc/55/19/74/564551974.db2.gz UVDRYXNNWQJMHZ-VXGBXAGGSA-N 1 0 382.555 2.782 20 0 GFADRO C[C@H]([NH2+]CCN1CCSCC1)c1ccccc1I ZINC000482969076 564554257 /nfs/dbraw/zinc/55/42/57/564554257.db2.gz BUBBLUNUHXFMIJ-LBPRGKRZSA-N 1 0 376.307 2.991 20 0 GFADRO O=C([C@@H]1C[N@@H+]2CCN1CCC2)N1CCC[C@@H]1c1ccc(Br)cc1 ZINC000482998572 564556475 /nfs/dbraw/zinc/55/64/75/564556475.db2.gz WRBDCSLOPTVXSA-SJORKVTESA-N 1 0 378.314 2.503 20 0 GFADRO O=C([C@@H]1C[N@@H+]2CCN1CCC2)N1CCC[C@@H]1c1cccc(Br)c1 ZINC000483248372 564561748 /nfs/dbraw/zinc/56/17/48/564561748.db2.gz VTRSSASZTYRMOG-SJORKVTESA-N 1 0 378.314 2.503 20 0 GFADRO C[C@@H](Cc1ccc(Br)cc1)NC(=O)Nc1ccnn1CC[NH+](C)C ZINC000455665603 564563769 /nfs/dbraw/zinc/56/37/69/564563769.db2.gz HIJVEXOSBGBFCC-ZDUSSCGKSA-N 1 0 394.317 2.960 20 0 GFADRO C[C@H]1CCNC(=O)[C@@H]1[NH2+]Cc1cc(Br)cc(Br)c1 ZINC000571717850 564563825 /nfs/dbraw/zinc/56/38/25/564563825.db2.gz HQOOKNDIUCSJDW-QPUJVOFHSA-N 1 0 376.092 2.826 20 0 GFADRO CC[NH+](CC)CCN(C(=O)[C@H]1C[C@]12CCOC2)c1ccc(Br)cn1 ZINC000571926803 564572846 /nfs/dbraw/zinc/57/28/46/564572846.db2.gz FQUZMWWJMMZTJW-QAPCUYQASA-N 1 0 396.329 2.946 20 0 GFADRO O=C(N[C@H]1CC[N@@H+](C2CC2)C1)N[C@H]1CCOc2c(Br)cccc21 ZINC000548822840 564576954 /nfs/dbraw/zinc/57/69/54/564576954.db2.gz AQESGRZMSNALAJ-NHYWBVRUSA-N 1 0 380.286 2.809 20 0 GFADRO COC[C@]1(CNC(=O)N[C@H]2CCc3c2cccc3Br)CCC[NH2+]1 ZINC000572103226 564580884 /nfs/dbraw/zinc/58/08/84/564580884.db2.gz OFEDQXXRANWSOY-DOTOQJQBSA-N 1 0 382.302 2.504 20 0 GFADRO CC1CC[NH+](C[C@H](O)CNC(=O)[C@@H]2C[C@H]2c2cccc(Br)c2)CC1 ZINC000455967763 564582130 /nfs/dbraw/zinc/58/21/30/564582130.db2.gz IGSIIBHPZAWAIV-FGTMMUONSA-N 1 0 395.341 2.762 20 0 GFADRO O=C1NCC[C@@H]1CC[N@H+]1CCC[C@H]1c1ccccc1I ZINC000572131522 564582866 /nfs/dbraw/zinc/58/28/66/564582866.db2.gz FWSJGCLOLALEKS-DOMZBBRYSA-N 1 0 384.261 2.954 20 0 GFADRO CC[C@@H]1C[N@H+](C)CCN1C(=O)Nc1ccc2nccnc2c1Br ZINC000572337264 564590569 /nfs/dbraw/zinc/59/05/69/564590569.db2.gz SKKWRLYFAGQCGF-LLVKDONJSA-N 1 0 378.274 2.950 20 0 GFADRO CCO[C@H]1COCC[C@H]1[NH2+]CC(=O)N(C)Cc1cc(Cl)cc(Cl)c1 ZINC000484616296 564592697 /nfs/dbraw/zinc/59/26/97/564592697.db2.gz MRUNXUQZABGBRD-CVEARBPZSA-N 1 0 375.296 2.735 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)c(C)c1C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000572404380 564593534 /nfs/dbraw/zinc/59/35/34/564593534.db2.gz ITHMNWCYZTZZCM-CQSZACIVSA-N 1 0 391.313 2.981 20 0 GFADRO CCCC[C@@H](C[NH3+])NC(=O)c1ncc(Br)cc1Br ZINC000572481021 564597385 /nfs/dbraw/zinc/59/73/85/564597385.db2.gz LHIJNXDVOFHLPJ-VIFPVBQESA-N 1 0 379.096 2.854 20 0 GFADRO COCCC[N@H+](C)CCNC(=O)NCc1cc(Cl)ccc1Br ZINC000520222314 564599215 /nfs/dbraw/zinc/59/92/15/564599215.db2.gz JUKBPUSOJNZTFO-UHFFFAOYSA-N 1 0 392.725 2.870 20 0 GFADRO CN(CCCN1CC[NH+](C)CC1)C(=O)[C@@H]1C[C@@H]1c1cccc(Br)c1 ZINC000520310608 564601816 /nfs/dbraw/zinc/60/18/16/564601816.db2.gz CEGFYUKUASSFEW-QZTJIDSGSA-N 1 0 394.357 2.649 20 0 GFADRO C[C@@H]1C[N@H+](C)CCN1c1ccc(Br)cc1NC(=O)[C@H]1CCCOC1 ZINC000456363792 564602151 /nfs/dbraw/zinc/60/21/51/564602151.db2.gz FZHWUAWDJBYGAE-KGLIPLIRSA-N 1 0 396.329 2.955 20 0 GFADRO C[C@@H]([NH2+]CC(=O)Nc1ccc(Cl)cn1)C1CCN(CC(F)(F)F)CC1 ZINC000549688317 564602214 /nfs/dbraw/zinc/60/22/14/564602214.db2.gz SEBWDGHWBJBCQG-LLVKDONJSA-N 1 0 378.826 2.926 20 0 GFADRO C[C@@H]1C[N@H+](C)CCN1c1ccc(Br)cc1NC(=O)c1cncn1C ZINC000456361991 564602737 /nfs/dbraw/zinc/60/27/37/564602737.db2.gz DHAPGLHEPCWQRW-GFCCVEGCSA-N 1 0 392.301 2.575 20 0 GFADRO C[C@H]1C[N@H+](C)CCN1c1ccc(Br)cc1NC(=O)[C@H]1CCCN1C ZINC000456371804 564603778 /nfs/dbraw/zinc/60/37/78/564603778.db2.gz NEQJZTKYAAWSPC-SUMWQHHRSA-N 1 0 395.345 2.622 20 0 GFADRO CCC[N@H+](CC)C[C@H](C)NC(=O)C(=O)Nc1ccc(F)cc1Br ZINC000572654406 564604190 /nfs/dbraw/zinc/60/41/90/564604190.db2.gz CLXYFFUIYYLCAC-NSHDSACASA-N 1 0 388.281 2.763 20 0 GFADRO CC[C@H]1C[N@H+](CC)CCN1C(=O)c1cc(I)ccc1O ZINC000456391526 564604661 /nfs/dbraw/zinc/60/46/61/564604661.db2.gz WKXLMTVLIATAGM-LBPRGKRZSA-N 1 0 388.249 2.553 20 0 GFADRO C[C@@H]1C[N@H+](C)CCN1c1ccc(Br)cc1NC(=O)c1ccncn1 ZINC000456383189 564604818 /nfs/dbraw/zinc/60/48/18/564604818.db2.gz YWFODWTVOHXXFY-GFCCVEGCSA-N 1 0 390.285 2.632 20 0 GFADRO Cn1ccnc1[C@H]([NH2+]CCC1CCS(=O)(=O)CC1)c1ccc(Cl)cc1 ZINC000572713339 564606961 /nfs/dbraw/zinc/60/69/61/564606961.db2.gz PSKYRLLMMOAWAF-QGZVFWFLSA-N 1 0 381.929 2.967 20 0 GFADRO COC(=O)c1ccc(S(=O)(=O)NCCCCC[NH+]2CCCC2)cc1Cl ZINC000549914307 564608712 /nfs/dbraw/zinc/60/87/12/564608712.db2.gz HDGFAMGTACODSP-UHFFFAOYSA-N 1 0 388.917 2.671 20 0 GFADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)NCc2cc(OC)ccc2Br)C1 ZINC000485393977 564613924 /nfs/dbraw/zinc/61/39/24/564613924.db2.gz RPDFEWRZKYMBGB-ZDUSSCGKSA-N 1 0 384.318 2.941 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)c1cccc(F)c1Br ZINC000485409925 564614487 /nfs/dbraw/zinc/61/44/87/564614487.db2.gz QJHJJLYMSJSYAA-DFBGVHRSSA-N 1 0 385.277 2.912 20 0 GFADRO CC1(C)C[C@H]([NH2+]C[C@H](O)COc2cc(F)cc(Br)c2)CCO1 ZINC000572992265 564618179 /nfs/dbraw/zinc/61/81/79/564618179.db2.gz AKWDGLDRTYTTBF-KGLIPLIRSA-N 1 0 376.266 2.875 20 0 GFADRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cc3c(cc2Br)OCO3)[C@H]1n1cccn1 ZINC000550327286 564620512 /nfs/dbraw/zinc/62/05/12/564620512.db2.gz UMWHPWXJJRVVCR-KBRIMQKVSA-N 1 0 394.269 2.883 20 0 GFADRO COC(=O)[C@@H]1CCCC[C@@]1(C)[NH2+]Cc1ncc(I)s1 ZINC000573045259 564621188 /nfs/dbraw/zinc/62/11/88/564621188.db2.gz IAOMBZXNSHUIHD-TVQRCGJNSA-N 1 0 394.278 2.959 20 0 GFADRO C[C@@H](CNC(=O)N1CC[C@]2(CC[NH2+]C2)C1)Oc1ccccc1Br ZINC000521216784 564621526 /nfs/dbraw/zinc/62/15/26/564621526.db2.gz HUQYNBZDQGXYNL-GUYCJALGSA-N 1 0 382.302 2.611 20 0 GFADRO COc1ccc(Br)c2[nH]c(C(=O)N[C@@H]3CC[N@@H+](C4CC4)C3)cc21 ZINC000521226713 564622334 /nfs/dbraw/zinc/62/23/34/564622334.db2.gz PMLXKUFBAKDAOM-SNVBAGLBSA-N 1 0 378.270 2.906 20 0 GFADRO CC(C)C[C@@H](C[NH3+])NC(=O)[C@H]1CCCN1C(=O)c1ccc(Br)cc1 ZINC000573083368 564622722 /nfs/dbraw/zinc/62/27/22/564622722.db2.gz JUXTUEDBPRQACX-JKSUJKDBSA-N 1 0 396.329 2.543 20 0 GFADRO COCCO[C@@H]1COCC[C@H]1[NH2+][C@H](C)Cc1ccc(Br)c(F)c1 ZINC000485690756 564622727 /nfs/dbraw/zinc/62/27/27/564622727.db2.gz BNLZSVADJOODRN-CSMYWGQOSA-N 1 0 390.293 2.929 20 0 GFADRO CO[C@H]1CCN(Cc2cc3c(cc2Br)OCCCO3)[C@@H](C[NH3+])C1 ZINC000573121566 564623365 /nfs/dbraw/zinc/62/33/65/564623365.db2.gz KQOGCQIJLHXHGN-KGLIPLIRSA-N 1 0 385.302 2.549 20 0 GFADRO C[C@H](CNS(=O)(=O)Cc1cccc(Br)c1)[N@@H+]1CCC[C@H](C)C1 ZINC000550431468 564624234 /nfs/dbraw/zinc/62/42/34/564624234.db2.gz JAJGZEWBTNATDE-UONOGXRCSA-N 1 0 389.359 2.989 20 0 GFADRO COc1ncccc1CC[NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000521427456 564626489 /nfs/dbraw/zinc/62/64/89/564626489.db2.gz DCWUVGHGTFPTBW-OAHLLOKOSA-N 1 0 399.260 2.564 20 0 GFADRO C[C@@H](Cc1ccc(Br)cc1)NC(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000485793757 564626573 /nfs/dbraw/zinc/62/65/73/564626573.db2.gz XLVGIEFMPQYCPL-AAEUAGOBSA-N 1 0 377.286 2.610 20 0 GFADRO CS(=O)(=O)C[C@@H]([NH2+]C1CCN(c2nc3ccccc3s2)CC1)C1CC1 ZINC000550626841 564627998 /nfs/dbraw/zinc/62/79/98/564627998.db2.gz BTWMFEOSLAMGRL-MRXNPFEDSA-N 1 0 379.551 2.678 20 0 GFADRO NC(=O)c1ccc(NC(=O)CC[N@@H+]2CCC[C@@]3(CCSC3)C2)cc1Cl ZINC000521546066 564629761 /nfs/dbraw/zinc/62/97/61/564629761.db2.gz YCJHKAZDWQWKND-GOSISDBHSA-N 1 0 381.929 2.987 20 0 GFADRO CS(=O)(=O)N1CCC[N@@H+]([C@@H](c2ccc(Cl)cc2)C2CCOCC2)CC1 ZINC000573263688 564629921 /nfs/dbraw/zinc/62/99/21/564629921.db2.gz GHBMRBBZCGAIGQ-SFHVURJKSA-N 1 0 386.945 2.775 20 0 GFADRO CS(=O)(=O)C[C@@H]([NH2+]CCc1c[nH]c2ccc(Br)cc12)C1CC1 ZINC000550788798 564631705 /nfs/dbraw/zinc/63/17/05/564631705.db2.gz QKWIQIFJNKFQCA-MRXNPFEDSA-N 1 0 385.327 2.886 20 0 GFADRO CN(C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)S(=O)(=O)c1cccs1 ZINC000550823692 564632254 /nfs/dbraw/zinc/63/22/54/564632254.db2.gz ZQJHRNCAIQINGB-QGZVFWFLSA-N 1 0 380.535 2.660 20 0 GFADRO O=C(NCCCC[NH+]1CCOCC1)N[C@H]1C[C@@H]1c1cccc(Br)c1 ZINC000521684224 564633870 /nfs/dbraw/zinc/63/38/70/564633870.db2.gz SAZXVTHDACAWKV-SJORKVTESA-N 1 0 396.329 2.717 20 0 GFADRO CN(Cc1ccccc1Br)C(=O)CN1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000521696670 564635082 /nfs/dbraw/zinc/63/50/82/564635082.db2.gz BXHKTBHZFYIPCH-QGZVFWFLSA-N 1 0 394.357 2.968 20 0 GFADRO CC(C)[N@@H+]1CCCC[C@H]1CN(C)CC(=O)Nc1ccc(Br)cn1 ZINC000551092755 564636813 /nfs/dbraw/zinc/63/68/13/564636813.db2.gz CKDXLXRYGBHXOI-HNNXBMFYSA-N 1 0 383.334 2.977 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@@H]2C)cc1Br ZINC000486207351 564643696 /nfs/dbraw/zinc/64/36/96/564643696.db2.gz SYJJBYFWZRVJAA-BLLLJJGKSA-N 1 0 394.313 2.603 20 0 GFADRO COc1ccc(Cl)cc1S(=O)(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C ZINC000486253450 564645028 /nfs/dbraw/zinc/64/50/28/564645028.db2.gz GCQKPURQQVRRMY-MRXNPFEDSA-N 1 0 382.913 2.800 20 0 GFADRO CC1(C)CCC[N@@H+]1CCNC(=O)c1csc(I)c1 ZINC000457075749 564645165 /nfs/dbraw/zinc/64/51/65/564645165.db2.gz MVWSZMDLGREZQW-UHFFFAOYSA-N 1 0 378.279 2.957 20 0 GFADRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(I)ccc2O)C1 ZINC000457095677 564646710 /nfs/dbraw/zinc/64/67/10/564646710.db2.gz PZZPZNKIABOSIO-GFCCVEGCSA-N 1 0 388.249 2.552 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)N[C@H]1CCN(c2ccccc2Br)C1 ZINC000522287009 564649064 /nfs/dbraw/zinc/64/90/64/564649064.db2.gz BDDRTTMLPYSVGH-KGLIPLIRSA-N 1 0 393.329 2.564 20 0 GFADRO C[NH+](C)C1CCN(CCNc2cc(C(F)(F)F)c(Br)cn2)CC1 ZINC000573679753 564649783 /nfs/dbraw/zinc/64/97/83/564649783.db2.gz XPWWMPPVRCLIHZ-UHFFFAOYSA-N 1 0 395.267 3.301 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1Br ZINC000486389344 564650315 /nfs/dbraw/zinc/65/03/15/564650315.db2.gz PXAHXUWSOJPAHN-QWHCGFSZSA-N 1 0 382.302 2.603 20 0 GFADRO COc1ccc(CNC(=O)N2CC[N@H+](C)[C@@H](C(C)C)C2)cc1Br ZINC000486493506 564654206 /nfs/dbraw/zinc/65/42/06/564654206.db2.gz BXZXTLYKAHEAND-OAHLLOKOSA-N 1 0 384.318 2.939 20 0 GFADRO COc1ccc(CN2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)c(Br)c1O ZINC000573816218 564655161 /nfs/dbraw/zinc/65/51/61/564655161.db2.gz YWCWBYCUTYYMKA-ZBFHGGJFSA-N 1 0 399.329 2.882 20 0 GFADRO CC[C@H](CSc1ccc(Cl)cc1)[NH2+]CC1(O)CCS(=O)(=O)CC1 ZINC000551565259 564655249 /nfs/dbraw/zinc/65/52/49/564655249.db2.gz CVLXJAUHGZELCQ-CQSZACIVSA-N 1 0 377.959 2.740 20 0 GFADRO C[C@@H](CNC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1)c1c(Cl)cccc1Cl ZINC000522851268 564657681 /nfs/dbraw/zinc/65/76/81/564657681.db2.gz SKRJQEBJDXUJIK-STQMWFEESA-N 1 0 386.323 2.623 20 0 GFADRO C[C@@H]1[C@H]([NH3+])CCCN1C(=O)c1cc(I)ccc1Cl ZINC000457357932 564658867 /nfs/dbraw/zinc/65/88/67/564658867.db2.gz LITAOFXMYFUDHN-PRHODGIISA-N 1 0 378.641 2.896 20 0 GFADRO Cc1cc(C[NH3+])cc(NC(=O)CN(C)C(=O)c2ccc(Br)s2)c1 ZINC000457368232 564658934 /nfs/dbraw/zinc/65/89/34/564658934.db2.gz GGGUITSMHVDQRY-UHFFFAOYSA-N 1 0 396.310 2.988 20 0 GFADRO C[N@@H+]1CCC[C@H](CNC(=O)N[C@H](c2cncc(Br)c2)C2CC2)C1 ZINC000551655395 564659028 /nfs/dbraw/zinc/65/90/28/564659028.db2.gz UDAMDXXPFKJELE-WBMJQRKESA-N 1 0 381.318 2.936 20 0 GFADRO O=C(c1n[nH]c2ccc(Br)cc21)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000573918103 564659765 /nfs/dbraw/zinc/65/97/65/564659765.db2.gz NNODPGLHQJWTGW-NEPJUHHUSA-N 1 0 377.286 2.787 20 0 GFADRO CC[N@H+](CC(=O)N[C@@H](C)c1ccc(Br)cc1OCCCO)C1CC1 ZINC000573946811 564660904 /nfs/dbraw/zinc/66/09/04/564660904.db2.gz WRCCYMHCSCPZRO-ZDUSSCGKSA-N 1 0 399.329 2.872 20 0 GFADRO COCCSCCC[NH+]1CCN(Cc2nc(-c3cccs3)no2)CC1 ZINC000486687866 564663164 /nfs/dbraw/zinc/66/31/64/564663164.db2.gz WUNPOZRLMKWISI-UHFFFAOYSA-N 1 0 382.555 2.685 20 0 GFADRO O=C(NCCOc1cccc(Cl)c1Cl)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000574016799 564664551 /nfs/dbraw/zinc/66/45/51/564664551.db2.gz RNOIZPFFBFZPIP-ZDUSSCGKSA-N 1 0 390.311 2.518 20 0 GFADRO Cc1nn(C)c(NC(=O)N(C)[C@@H]2CC[NH2+]C2)c1-c1ccc(Br)cc1 ZINC000574021714 564664622 /nfs/dbraw/zinc/66/46/22/564664622.db2.gz KCLPVUYRCAWYGM-CQSZACIVSA-N 1 0 392.301 2.984 20 0 GFADRO Cc1cc(S(=O)(=O)N2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)c(Cl)cc1F ZINC000574025712 564665090 /nfs/dbraw/zinc/66/50/90/564665090.db2.gz BRLMQXJQGSIREN-BBRMVZONSA-N 1 0 390.908 2.695 20 0 GFADRO CCN1CC[NH+](C[C@H](C)CNC(=O)c2sc(C)cc2Br)CC1 ZINC000457566155 564665530 /nfs/dbraw/zinc/66/55/30/564665530.db2.gz XTUHZXAOUCMYJS-GFCCVEGCSA-N 1 0 388.375 2.822 20 0 GFADRO C[C@H]1CN(CCNC(=O)COc2cc(Cl)c(Cl)cc2Cl)CCO1 ZINC000523436033 564667602 /nfs/dbraw/zinc/66/76/02/564667602.db2.gz JVOOBXDGMRFXDX-JTQLQIEISA-N 1 0 381.687 2.863 20 0 GFADRO C[C@H](C[NH+]1CCCCC1)NC(=O)NCc1nc2c(cccc2Br)[nH]1 ZINC000457719384 564669949 /nfs/dbraw/zinc/66/99/49/564669949.db2.gz ZOCYRFZERHZENX-GFCCVEGCSA-N 1 0 394.317 2.999 20 0 GFADRO O=C(NCC[C@@H]1CC[NH2+]C1)Nc1cc(Br)ccc1-n1cccn1 ZINC000574175877 564670607 /nfs/dbraw/zinc/67/06/07/564670607.db2.gz RKGWQYAOBBXONZ-LBPRGKRZSA-N 1 0 378.274 2.756 20 0 GFADRO C[C@H](Oc1cc(Cl)cc(Cl)c1)C(=O)NC[C@H](O)C[NH+]1CCC(C)CC1 ZINC000523871084 564673861 /nfs/dbraw/zinc/67/38/61/564673861.db2.gz SJAHDCZZTJQVFF-BBRMVZONSA-N 1 0 389.323 2.970 20 0 GFADRO CC(C)[C@H]1CN(C(=O)NCc2cn3cc(Br)ccc3n2)CC[N@@H+]1C ZINC000487074577 564674081 /nfs/dbraw/zinc/67/40/81/564674081.db2.gz RFGHFZJHDHLWDS-OAHLLOKOSA-N 1 0 394.317 2.578 20 0 GFADRO CS[C@@H]1CN(C(=O)CSc2nccn2C(C)(C)C)C[C@H]1[NH+]1CCCC1 ZINC000487080797 564674659 /nfs/dbraw/zinc/67/46/59/564674659.db2.gz UPXLKXCZQUGXJR-HUUCEWRRSA-N 1 0 382.599 2.768 20 0 GFADRO C[C@H](CCc1ccc(F)cc1F)[NH2+]C[C@H](O)CS(=O)(=O)c1cccs1 ZINC000552063674 564675235 /nfs/dbraw/zinc/67/52/35/564675235.db2.gz IDXWZDDMRLAUFP-DOMZBBRYSA-N 1 0 389.489 2.772 20 0 GFADRO CC(C)[N@H+](C)C[C@@H](C)NC(=O)C(=O)Nc1ccc(Cl)c(Br)c1 ZINC000574491302 564676102 /nfs/dbraw/zinc/67/61/02/564676102.db2.gz FTPIJJRMQGJBHD-SNVBAGLBSA-N 1 0 390.709 2.886 20 0 GFADRO Cc1ccc(Br)cc1S(=O)(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000487123073 564676758 /nfs/dbraw/zinc/67/67/58/564676758.db2.gz VYNMIRKJTZHWNA-ZIAGYGMSSA-N 1 0 375.332 2.909 20 0 GFADRO OC[C@H](C[NH2+]C[C@H](O)COc1cc(Cl)ccc1Cl)Cc1cccnc1 ZINC000574519347 564676950 /nfs/dbraw/zinc/67/69/50/564676950.db2.gz OQKWSPQRNWRHGZ-HOCLYGCPSA-N 1 0 385.291 2.569 20 0 GFADRO Cc1cc2cc(C(=O)N3CC[C@H](N4CC[NH2+]CC4)C3)oc2c(Br)c1 ZINC000574569533 564680256 /nfs/dbraw/zinc/68/02/56/564680256.db2.gz USAGVVXEZULXEE-AWEZNQCLSA-N 1 0 392.297 2.623 20 0 GFADRO COc1cc(C)c(Br)cc1S(=O)(=O)NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000574637176 564682783 /nfs/dbraw/zinc/68/27/83/564682783.db2.gz FDYUOEAWXWIDBC-RYUDHWBXSA-N 1 0 391.331 2.562 20 0 GFADRO O=C(Nc1cccc(Br)c1)C1CC[NH+](C[C@@H]2CCCNC2=O)CC1 ZINC000574656715 564683483 /nfs/dbraw/zinc/68/34/83/564683483.db2.gz YHOIIWVGVMFFQZ-AWEZNQCLSA-N 1 0 394.313 2.626 20 0 GFADRO O=C(CCOc1ccc(Cl)cc1Cl)NCCC[NH+]1CCC(O)CC1 ZINC000524573420 564683660 /nfs/dbraw/zinc/68/36/60/564683660.db2.gz ZVOLVPLYGNRPRK-UHFFFAOYSA-N 1 0 375.296 2.725 20 0 GFADRO CC[NH+](CC)C[C@H](C)NC(=O)NCc1nc2c(cccc2Br)[nH]1 ZINC000458023405 564684437 /nfs/dbraw/zinc/68/44/37/564684437.db2.gz VLGMVPAXNQBFRH-NSHDSACASA-N 1 0 382.306 2.855 20 0 GFADRO O=S(=O)(NCC[NH2+][C@@H]1CCc2cccnc2CC1)c1cccc(Cl)c1 ZINC000574680930 564684725 /nfs/dbraw/zinc/68/47/25/564684725.db2.gz GQCYENUAQHYXOS-MRXNPFEDSA-N 1 0 379.913 2.551 20 0 GFADRO COc1cccc(OC(F)(F)F)c1C[NH2+][C@@H](C)C1CCS(=O)(=O)CC1 ZINC000552338854 564687237 /nfs/dbraw/zinc/68/72/37/564687237.db2.gz RBIYPCWTUYBGMT-NSHDSACASA-N 1 0 381.416 2.897 20 0 GFADRO CNC(=O)C1CCC([NH2+]C[C@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000574750778 564687506 /nfs/dbraw/zinc/68/75/06/564687506.db2.gz CQRHWWZGUQXZHQ-UBHUBRDASA-N 1 0 375.296 2.628 20 0 GFADRO O=C(N[C@@H]1C[NH2+]CCC1(F)F)c1[nH]nc(-c2ccccc2)c1Br ZINC000574754447 564688152 /nfs/dbraw/zinc/68/81/52/564688152.db2.gz DDUVTGFZUNSXHV-SNVBAGLBSA-N 1 0 385.212 2.566 20 0 GFADRO Cc1cc(N2C[C@H](C(=O)NCC[NH2+]C(C)(C)C)CC2=O)ccc1Br ZINC000524818181 564688297 /nfs/dbraw/zinc/68/82/97/564688297.db2.gz LVQJFOLASZCWKW-CYBMUJFWSA-N 1 0 396.329 2.615 20 0 GFADRO [NH3+]C[C@H]1CC[C@H](CNS(=O)(=O)c2cc(Br)c(F)cc2F)CC1 ZINC000575045944 564691701 /nfs/dbraw/zinc/69/17/01/564691701.db2.gz YVZNYIOUMTWSSG-MGCOHNPYSA-N 1 0 397.285 2.771 20 0 GFADRO CS(=O)(=O)N1CC[C@H]([NH2+][C@H](c2ccc(Br)cc2F)C2CC2)C1 ZINC000575130071 564692816 /nfs/dbraw/zinc/69/28/16/564692816.db2.gz JIRXQQCPCOAISL-WFASDCNBSA-N 1 0 391.306 2.663 20 0 GFADRO Cc1cc(NC(=O)c2cc(S(C)(=O)=O)cs2)ccc1OCC[NH+](C)C ZINC000458211155 564694608 /nfs/dbraw/zinc/69/46/08/564694608.db2.gz MKMQBUPRRVXYOD-UHFFFAOYSA-N 1 0 382.507 2.653 20 0 GFADRO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N(CC)Cc1cccc(Br)c1 ZINC000552750216 564700268 /nfs/dbraw/zinc/70/02/68/564700268.db2.gz KPLRFABYWILYQJ-AWEZNQCLSA-N 1 0 398.345 2.644 20 0 GFADRO CC(C)[C@H]1CN(CC(=O)N(C)Cc2cc(Br)cs2)CC[N@@H+]1C ZINC000487973641 564701087 /nfs/dbraw/zinc/70/10/87/564701087.db2.gz SXPHWVFKGZIMOM-OAHLLOKOSA-N 1 0 388.375 2.741 20 0 GFADRO CCN1CCN(C(=O)c2nn(-c3ccc(F)cc3)cc2Br)[C@@H](C)C1 ZINC000553000783 564706459 /nfs/dbraw/zinc/70/64/59/564706459.db2.gz ZUYRQZRWXMACDW-LBPRGKRZSA-N 1 0 395.276 2.940 20 0 GFADRO C[C@@H]1C[C@H]1C[NH+]1CCN(C(=O)c2ccccc2I)CC1 ZINC000488313212 564709572 /nfs/dbraw/zinc/70/95/72/564709572.db2.gz LKCJBWHJMXPOON-OLZOCXBDSA-N 1 0 384.261 2.705 20 0 GFADRO CSc1nnc(CNC(=O)N[C@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)s1 ZINC000525842796 564710146 /nfs/dbraw/zinc/71/01/46/564710146.db2.gz SYEGCIPCLRMGLT-JSGCOSHPSA-N 1 0 377.539 2.895 20 0 GFADRO CCCOC[C@H](Cc1cccc(Br)c1)NC(=O)N(C)CCC[NH3+] ZINC000576254203 564710327 /nfs/dbraw/zinc/71/03/27/564710327.db2.gz JPTVJUJHTAYDTA-INIZCTEOSA-N 1 0 386.334 2.777 20 0 GFADRO C[C@H]1[C@H](NC(=O)NCc2nc3c(cccc3Br)[nH]2)CCC[N@@H+]1C ZINC000458663194 564710810 /nfs/dbraw/zinc/71/08/10/564710810.db2.gz SRTXCMNZBZHKAY-CMPLNLGQSA-N 1 0 380.290 2.607 20 0 GFADRO CCC[NH2+][C@@H](C)C(=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000576275095 564711058 /nfs/dbraw/zinc/71/10/58/564711058.db2.gz PGUMEWOVXNZJRZ-NSHDSACASA-N 1 0 378.826 2.791 20 0 GFADRO CC[NH+](CC)CC(=O)N(CCn1ccnc1)Cc1ccc(Br)o1 ZINC000553151455 564711277 /nfs/dbraw/zinc/71/12/77/564711277.db2.gz HSAZNUIYEPCNMV-UHFFFAOYSA-N 1 0 383.290 2.609 20 0 GFADRO Cn1ccnc1[C@H](NC(=O)c1ccc(I)cc1)C1CC1 ZINC000553266290 564714948 /nfs/dbraw/zinc/71/49/48/564714948.db2.gz XRAUFCIIAABFRM-CYBMUJFWSA-N 1 0 381.217 2.906 20 0 GFADRO O=S(=O)(c1ccc(Br)cc1)N1CCC[C@@H]([NH2+]CC2(F)CC2)C1 ZINC000525995794 564715248 /nfs/dbraw/zinc/71/52/48/564715248.db2.gz QLQZLFIDLIKQLD-CYBMUJFWSA-N 1 0 391.306 2.694 20 0 GFADRO C[N@@H+]1CCC[C@]2(CCN(S(=O)(=O)c3ccc(Br)cc3F)C2)C1 ZINC000576602173 564716709 /nfs/dbraw/zinc/71/67/09/564716709.db2.gz XPXRENYEQFHYOG-HNNXBMFYSA-N 1 0 391.306 2.695 20 0 GFADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1Cc1cc2c(c(Br)c1)OCO2 ZINC000488711139 564718011 /nfs/dbraw/zinc/71/80/11/564718011.db2.gz GWXGSQSZUJRNIG-CYBMUJFWSA-N 1 0 397.313 2.863 20 0 GFADRO CC[C@@H](C)[NH2+][C@@H](CNC(=O)NCc1nn(C)cc1Br)c1ccco1 ZINC000458774866 564718075 /nfs/dbraw/zinc/71/80/75/564718075.db2.gz QSWIXOUFTZADBD-RISCZKNCSA-N 1 0 398.305 2.704 20 0 GFADRO C[C@H](NC(=O)NCc1nn(C)cc1Br)[C@@H](c1ccccc1)[NH+](C)C ZINC000458789221 564719152 /nfs/dbraw/zinc/71/91/52/564719152.db2.gz YMPISIYKQPPYRR-LRDDRELGSA-N 1 0 394.317 2.673 20 0 GFADRO Cc1nccc(NC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)c1Br ZINC000526096789 564719584 /nfs/dbraw/zinc/71/95/84/564719584.db2.gz LBOUHBIQNOPOCF-HNNXBMFYSA-N 1 0 377.286 2.999 20 0 GFADRO CC[NH2+]CCCNC(=O)N(CCOC)Cc1ccc(Br)s1 ZINC000576808067 564719674 /nfs/dbraw/zinc/71/96/74/564719674.db2.gz HVXOWCALCYMPGA-UHFFFAOYSA-N 1 0 378.336 2.668 20 0 GFADRO C[C@@H](NC(=O)NCCC[NH2+]C1CCCCC1)c1ncc(Br)cn1 ZINC000458850021 564720304 /nfs/dbraw/zinc/72/03/04/564720304.db2.gz UANGMPBAXUTOIS-GFCCVEGCSA-N 1 0 384.322 2.912 20 0 GFADRO CN(CC1CC[NH+](C)CC1)S(=O)(=O)Cc1ccccc1Br ZINC000553480375 564722004 /nfs/dbraw/zinc/72/20/04/564722004.db2.gz OGMVUOSQAXIWTG-UHFFFAOYSA-N 1 0 375.332 2.553 20 0 GFADRO C[C@@H](CCC[NH3+])NC(=O)c1nnn(-c2ccc(Br)cc2)c1C1CC1 ZINC000577105734 564724535 /nfs/dbraw/zinc/72/45/35/564724535.db2.gz AYJSJIVZFVIGSB-NSHDSACASA-N 1 0 392.301 2.764 20 0 GFADRO COc1ccc(Br)c2[nH]c(C(=O)N3CC[NH+]4CCC3CC4)cc21 ZINC000527058676 564728715 /nfs/dbraw/zinc/72/87/15/564728715.db2.gz QFDWCWKUUWEDJX-UHFFFAOYSA-N 1 0 378.270 2.859 20 0 GFADRO O=S(=O)(N[C@H]1CC[N@@H+]2CCCC[C@H]12)c1cccc(OC(F)(F)F)c1F ZINC000489130818 564730403 /nfs/dbraw/zinc/73/04/03/564730403.db2.gz PCNWUYNUAIOTJI-WDEREUQCSA-N 1 0 382.379 2.629 20 0 GFADRO C[NH+](C)CCn1ccc(NC(=O)c2cc(Cl)cc(F)c2Br)n1 ZINC000577268594 564731775 /nfs/dbraw/zinc/73/17/75/564731775.db2.gz KKCOGUPIXXYGCJ-UHFFFAOYSA-N 1 0 389.656 3.252 20 0 GFADRO CC(C)C[C@@H](C[NH3+])NS(=O)(=O)Cc1cc(Cl)ccc1Br ZINC000577279703 564732432 /nfs/dbraw/zinc/73/24/32/564732432.db2.gz GEOVWXQVVKRKFF-LBPRGKRZSA-N 1 0 383.739 2.895 20 0 GFADRO C[C@@H](C[NH+](C)C)Nc1cnn(-c2ccc(C(F)(F)F)cn2)c(=O)c1Cl ZINC000553703795 564732466 /nfs/dbraw/zinc/73/24/66/564732466.db2.gz AQIJNFRLJQZTCM-VIFPVBQESA-N 1 0 375.782 2.662 20 0 GFADRO CC[C@H]1C[N@H+](CC)CCN1C(=O)NCc1nc2c(cccc2Br)[nH]1 ZINC000459131290 564732712 /nfs/dbraw/zinc/73/27/12/564732712.db2.gz GQKFRXWAUSCTFY-LBPRGKRZSA-N 1 0 394.317 2.951 20 0 GFADRO Cn1c2ccc(C[NH2+]Cc3ccc(S(C)(=O)=O)c(Cl)c3)cc2sc1=O ZINC000527237632 564734990 /nfs/dbraw/zinc/73/49/90/564734990.db2.gz PIXAMVGZWCAWKN-UHFFFAOYSA-N 1 0 396.921 2.947 20 0 GFADRO C[C@H]1C[C@H]1[N@@H+]1CCN(C(=O)C(=O)c2ccc(Br)cc2)C[C@@H](C)C1 ZINC000553783470 564735992 /nfs/dbraw/zinc/73/59/92/564735992.db2.gz QFMMSCMDJYCGRI-HEHGZKQESA-N 1 0 379.298 2.821 20 0 GFADRO CC[NH+]1CCN(CCC(=O)N2CCc3cc(Br)cc(F)c3C2)CC1 ZINC000527278625 564736461 /nfs/dbraw/zinc/73/64/61/564736461.db2.gz NOURKRAKHTXAPV-UHFFFAOYSA-N 1 0 398.320 2.501 20 0 GFADRO C[N@@H+]1CC[C@]2(CCN(C(=O)c3c(F)cccc3I)C2)C1 ZINC000553794380 564736988 /nfs/dbraw/zinc/73/69/88/564736988.db2.gz KOCZNYSZQFXXCT-HNNXBMFYSA-N 1 0 388.224 2.598 20 0 GFADRO CCN(CC[NH+]1CCCCCC1)C(=O)c1cc(I)c[nH]1 ZINC000553797315 564737089 /nfs/dbraw/zinc/73/70/89/564737089.db2.gz DULGUSPGLFYPNZ-UHFFFAOYSA-N 1 0 389.281 2.957 20 0 GFADRO NC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@@H+]1CC1=Cc2cc(Br)ccc2OC1 ZINC000527303313 564738114 /nfs/dbraw/zinc/73/81/14/564738114.db2.gz IDKYPTJUVQLMQF-PVUWLOKVSA-N 1 0 377.282 2.811 20 0 GFADRO Cn1cc(N2CC[C@H]([NH2+][C@H]3CCCc4cc(Br)ccc43)C2=O)cn1 ZINC000527316262 564739028 /nfs/dbraw/zinc/73/90/28/564739028.db2.gz DDDVDINPLINFPA-IRXDYDNUSA-N 1 0 389.297 2.955 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)Cc2ccccc2Br)[C@H](C)C1 ZINC000553842127 564739623 /nfs/dbraw/zinc/73/96/23/564739623.db2.gz RAZVGUAGBNGAFB-CJNGLKHVSA-N 1 0 389.359 2.941 20 0 GFADRO CC(C)(CNS(=O)(=O)Cc1cccc(Br)c1)C[NH+]1CCCC1 ZINC000553856616 564740312 /nfs/dbraw/zinc/74/03/12/564740312.db2.gz WZPHWDHYPLJXQC-UHFFFAOYSA-N 1 0 389.359 2.991 20 0 GFADRO CN(Cc1cccc(O)c1Br)C1CC[NH+](CCn2cccn2)CC1 ZINC000459335845 564740008 /nfs/dbraw/zinc/74/00/08/564740008.db2.gz OJHTZNVTXRSRHV-UHFFFAOYSA-N 1 0 393.329 2.948 20 0 GFADRO CC[C@@H]([NH2+]Cc1cc(I)c(OC)c(OC)c1)C(C)(C)O ZINC000578146828 564741482 /nfs/dbraw/zinc/74/14/82/564741482.db2.gz CRXGJQLQZDHRCJ-CYBMUJFWSA-N 1 0 393.265 2.948 20 0 GFADRO CC[C@@H]([NH3+])CNS(=O)(=O)c1csc(-c2ccc(Br)cc2)n1 ZINC000578357499 564743500 /nfs/dbraw/zinc/74/35/00/564743500.db2.gz CTDFBCUHTKHAII-LLVKDONJSA-N 1 0 390.328 2.588 20 0 GFADRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1S(=O)(=O)c1cc(F)ccc1Br ZINC000553892780 564743563 /nfs/dbraw/zinc/74/35/63/564743563.db2.gz DDZNMGRBMMKBFO-RISCZKNCSA-N 1 0 391.306 2.836 20 0 GFADRO C[C@@H](CO)[N@H+](C[C@H](O)COc1cc(F)cc(Br)c1)C1CCCC1 ZINC000553918727 564745266 /nfs/dbraw/zinc/74/52/66/564745266.db2.gz ZZLODFHZGUIXHF-LRDDRELGSA-N 1 0 390.293 2.953 20 0 GFADRO C[C@H]1C[C@@H](N(C)S(=O)(=O)c2cccc(OC(F)(F)F)c2F)CC[N@@H+]1C ZINC000489607189 564745689 /nfs/dbraw/zinc/74/56/89/564745689.db2.gz FNVWHZFZROVBPL-QWRGUYRKSA-N 1 0 384.395 2.828 20 0 GFADRO CC[NH+]1C[C@H](C)N(C[C@H](O)COc2cc(F)cc(Br)c2)[C@@H](C)C1 ZINC000459466763 564745959 /nfs/dbraw/zinc/74/59/59/564745959.db2.gz RECIZWHGCZJDMO-XEZPLFJOSA-N 1 0 389.309 2.742 20 0 GFADRO CCC[NH+]1CCC(NC(=O)N2CC(O)(c3cccc(Br)c3)C2)CC1 ZINC000527541167 564746437 /nfs/dbraw/zinc/74/64/37/564746437.db2.gz CHGOGNRBPZXWQR-UHFFFAOYSA-N 1 0 396.329 2.536 20 0 GFADRO O=C(N[C@@H]1CC12CC[NH2+]CC2)N1CCc2ccc(F)c(Br)c2C1 ZINC000527594221 564748053 /nfs/dbraw/zinc/74/80/53/564748053.db2.gz NNOSAFWJLQCMNJ-CQSZACIVSA-N 1 0 382.277 2.798 20 0 GFADRO O=S(=O)(c1ccc(CC(F)(F)F)cc1)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000579473716 564748214 /nfs/dbraw/zinc/74/82/14/564748214.db2.gz HVVMIECQZMQSFG-LSDHHAIUSA-N 1 0 376.444 2.802 20 0 GFADRO C[NH+](C)CCn1ccc(C(=O)N2CCc3ccc(F)c(Br)c3C2)n1 ZINC000527627781 564752210 /nfs/dbraw/zinc/75/22/10/564752210.db2.gz HCFNKVAOBCBMNT-UHFFFAOYSA-N 1 0 395.276 2.545 20 0 GFADRO CC[NH+]1CCC(NC(=O)CN2CCC[C@@H]2c2ccc(Br)cn2)CC1 ZINC000459599284 564752416 /nfs/dbraw/zinc/75/24/16/564752416.db2.gz XQIMPYXDIPWANW-QGZVFWFLSA-N 1 0 395.345 2.582 20 0 GFADRO C[NH+]1CCN(c2cc(CNCc3ccsc3Br)ccn2)CC1 ZINC000527638263 564753195 /nfs/dbraw/zinc/75/31/95/564753195.db2.gz HJPAJMNDZCKYDE-UHFFFAOYSA-N 1 0 381.343 2.947 20 0 GFADRO C[C@@H]1COCCN1CC[NH2+]Cc1c[nH]nc1-c1ccc(Br)s1 ZINC000527654668 564753468 /nfs/dbraw/zinc/75/34/68/564753468.db2.gz VCLVEEDSTWHIRB-LLVKDONJSA-N 1 0 385.331 2.711 20 0 GFADRO O[C@]1(CNCc2ncc(Br)cc2F)CC[N@H+](Cc2ccccc2)C1 ZINC000527664554 564754297 /nfs/dbraw/zinc/75/42/97/564754297.db2.gz KBJKXDROXXMZLE-SFHVURJKSA-N 1 0 394.288 2.710 20 0 GFADRO C[C@@H]1C[C@H]1N1C[C@@H]([NH2+]Cc2c[nH]nc2-c2ccc(Br)s2)CC1=O ZINC000527665666 564754330 /nfs/dbraw/zinc/75/43/30/564754330.db2.gz HPKITGMRLSYXFQ-ADEWGFFLSA-N 1 0 395.326 3.000 20 0 GFADRO CN(CC(=O)Nc1ccccc1Br)C(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000489865569 564755546 /nfs/dbraw/zinc/75/55/46/564755546.db2.gz XIZGREAWJUGCKW-INWMFGNUSA-N 1 0 394.313 2.767 20 0 GFADRO Cn1ncc(Cl)c1C[NH2+]C[C@H](CO)Cc1cc(F)cc(Br)c1 ZINC000459684403 564756730 /nfs/dbraw/zinc/75/67/30/564756730.db2.gz AAGSJLWLLZLXKB-LLVKDONJSA-N 1 0 390.684 2.916 20 0 GFADRO CS(=O)(=O)NC[C@H]1CCC[C@H]1[NH2+]Cc1ccc(Br)c(F)c1F ZINC000527705307 564757260 /nfs/dbraw/zinc/75/72/60/564757260.db2.gz UXTGJFGBBTZOMJ-BXKDBHETSA-N 1 0 397.285 2.535 20 0 GFADRO CCCS(=O)(=O)N1CCC([NH2+][C@H](COC)c2cccc(Cl)c2F)CC1 ZINC000554349783 564757416 /nfs/dbraw/zinc/75/74/16/564757416.db2.gz OGHSGOQEOKSBFO-MRXNPFEDSA-N 1 0 392.924 2.960 20 0 GFADRO Brc1ccc(-c2n[nH]cc2C[NH2+]CCN2C[C@H]3CC[C@@H](C2)O3)s1 ZINC000527715877 564757741 /nfs/dbraw/zinc/75/77/41/564757741.db2.gz LNIYJKYLIGJFRQ-BETUJISGSA-N 1 0 397.342 2.854 20 0 GFADRO C[NH+]1CCN(CCNC(=O)c2c(Br)ccc3ccccc32)CC1 ZINC000527743137 564758217 /nfs/dbraw/zinc/75/82/17/564758217.db2.gz FFCPUGZADOJEID-UHFFFAOYSA-N 1 0 376.298 2.580 20 0 GFADRO CN1CC[C@H](C[NH2+]Cc2c[nH]nc2-c2ccc(Br)s2)CC1=O ZINC000527722197 564758351 /nfs/dbraw/zinc/75/83/51/564758351.db2.gz RZROJTOQEJLXFV-JTQLQIEISA-N 1 0 383.315 2.859 20 0 GFADRO FC(F)(F)c1cc(Br)cc(CN2CCN([C@H]3CC[NH2+]C3)CC2)c1 ZINC000489982131 564759560 /nfs/dbraw/zinc/75/95/60/564759560.db2.gz XFSPLXNSYWNCHE-HNNXBMFYSA-N 1 0 392.263 2.947 20 0 GFADRO O[C@@H](C[NH2+]Cc1ccc(Br)c(Br)c1)[C@H]1CCCO1 ZINC000527758079 564759893 /nfs/dbraw/zinc/75/98/93/564759893.db2.gz MBFMGDMVPYJHAD-QWHCGFSZSA-N 1 0 379.092 2.841 20 0 GFADRO C[C@@H](CCc1ccc(I)cc1)[NH2+][C@@H](CO)c1ccnn1C ZINC000459725788 564759918 /nfs/dbraw/zinc/75/99/18/564759918.db2.gz XJUKZXUISYBNLD-WFASDCNBSA-N 1 0 399.276 2.669 20 0 GFADRO CC(C)C[C@@H](CNC(=O)Cc1ccc(I)cc1)[NH+](C)C ZINC000490032331 564760198 /nfs/dbraw/zinc/76/01/98/564760198.db2.gz NAXFEZRAGVBURI-HNNXBMFYSA-N 1 0 388.293 2.926 20 0 GFADRO COC(=O)c1ccc(C[NH2+][C@@H]2CCO[C@H]2c2cncc(Br)c2)[nH]1 ZINC000459776971 564761050 /nfs/dbraw/zinc/76/10/50/564761050.db2.gz YHLINBRQULGVCB-HIFRSBDPSA-N 1 0 380.242 2.579 20 0 GFADRO CCOC(=O)c1cc2cc(S(=O)(=O)NC[C@H](C)C[NH+](C)C)ccc2s1 ZINC000490055587 564761137 /nfs/dbraw/zinc/76/11/37/564761137.db2.gz AMDOKBXJKFDEDQ-LBPRGKRZSA-N 1 0 384.523 2.554 20 0 GFADRO CC[NH+](CC)[C@@H](CNc1ccc(S(N)(=O)=O)cn1)c1ccccc1Cl ZINC000490062950 564761377 /nfs/dbraw/zinc/76/13/77/564761377.db2.gz WFCJAYKFLOVWHS-INIZCTEOSA-N 1 0 382.917 2.877 20 0 GFADRO O=C(N[C@H]1C[NH2+]CCC1(F)F)N1CCO[C@@H](c2ccc(F)cc2Cl)C1 ZINC000580540814 564763196 /nfs/dbraw/zinc/76/31/96/564763196.db2.gz SEAHDVGEODGCNT-KGLIPLIRSA-N 1 0 377.794 2.559 20 0 GFADRO C[C@@H]([NH2+]C1CCN(S(C)(=O)=O)CC1)c1cc(F)c(Br)cc1F ZINC000527853090 564763496 /nfs/dbraw/zinc/76/34/96/564763496.db2.gz YJFSIBBUCFOTSZ-SECBINFHSA-N 1 0 397.285 2.802 20 0 GFADRO NC(=O)[C@@H]1CCCN1CCC[NH2+]Cc1cc2cc(Br)ccc2o1 ZINC000580571585 564764973 /nfs/dbraw/zinc/76/49/73/564764973.db2.gz AVUQXCNNLODHKP-HNNXBMFYSA-N 1 0 380.286 2.625 20 0 GFADRO C[C@H]([NH2+]CC[C@@H]1CCCOC1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000527930174 564765006 /nfs/dbraw/zinc/76/50/06/564765006.db2.gz QJUAOERVUCPOTL-RYUDHWBXSA-N 1 0 391.331 2.564 20 0 GFADRO C[C@@H]([NH2+]C[C@@]1(CO)COCC2(CCC2)N1C)c1sccc1Br ZINC000527945837 564765011 /nfs/dbraw/zinc/76/50/11/564765011.db2.gz FSMUEXQIRCUUIU-MLGOLLRUSA-N 1 0 389.359 2.777 20 0 GFADRO O=C1NC(=O)C2(CCC([NH2+]CC/C=C\c3ccc(Br)cc3)CC2)N1 ZINC000527935263 564765566 /nfs/dbraw/zinc/76/55/66/564765566.db2.gz SXNPSOZJVMPBDY-IWQZZHSRSA-N 1 0 392.297 2.963 20 0 GFADRO C[C@H]([NH2+][C@H]1[C@@H](C)[C@@H](C)O[C@H]1C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000528004955 564767080 /nfs/dbraw/zinc/76/70/80/564767080.db2.gz HTFGFYIOTQVGKJ-AOVQSLKQSA-N 1 0 391.331 2.559 20 0 GFADRO O=S(=O)(N[C@H]1CC[NH2+]C12CCC2)c1ccc(Br)c(Cl)c1 ZINC000528050196 564768187 /nfs/dbraw/zinc/76/81/87/564768187.db2.gz BHWAYWWVSZUGGJ-LBPRGKRZSA-N 1 0 379.707 2.665 20 0 GFADRO C[NH+]1CCN(c2ccnc(-c3noc([C@H]4C[C@@]4(C)Br)n3)c2)CC1 ZINC000528141350 564770502 /nfs/dbraw/zinc/77/05/02/564770502.db2.gz PEVIRYHJRXEOTM-MLGOLLRUSA-N 1 0 378.274 2.524 20 0 GFADRO CC[NH+](CC)CCNC(=O)C(=O)Nc1ccc(OC(F)(F)F)c(Cl)c1 ZINC000580772942 564773613 /nfs/dbraw/zinc/77/36/13/564773613.db2.gz IHPLXQHFWUPNDB-UHFFFAOYSA-N 1 0 381.782 2.635 20 0 GFADRO C[C@@H]1CN(C(=O)NCc2ccc(Br)c(F)c2F)C[C@H](C)[N@H+]1C ZINC000528255866 564775184 /nfs/dbraw/zinc/77/51/84/564775184.db2.gz PEDQOWRNIXWWTN-AOOOYVTPSA-N 1 0 376.245 2.961 20 0 GFADRO CN(C)S(=O)(=O)[C@@H]1C[N@H+](C[C@@H]2C[C@@H]2c2ccccc2)C[C@H]1C(F)(F)F ZINC000554878345 564775467 /nfs/dbraw/zinc/77/54/67/564775467.db2.gz LZUGMIZLGIZICO-ZJIFWQFVSA-N 1 0 376.444 2.544 20 0 GFADRO CC[NH+]1CCC(NS(=O)(=O)c2cnn(-c3ccc(Cl)cc3)c2C)CC1 ZINC000460458371 564775954 /nfs/dbraw/zinc/77/59/54/564775954.db2.gz ZTMIZLDMBFSFSZ-UHFFFAOYSA-N 1 0 382.917 2.597 20 0 GFADRO CC1(C)NC(=O)CC[C@H]1[NH2+]Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000554936373 564778031 /nfs/dbraw/zinc/77/80/31/564778031.db2.gz PIYNXUFHVHIWGQ-OAHLLOKOSA-N 1 0 377.286 2.782 20 0 GFADRO CC[NH+](CC)CCS(=O)(=O)NC1(c2cccc(Br)c2)CC1 ZINC000554953913 564778946 /nfs/dbraw/zinc/77/89/46/564778946.db2.gz JJMSDKPNTXUQQI-UHFFFAOYSA-N 1 0 375.332 2.699 20 0 GFADRO Cc1nn(C)c(N2CCOCC2)c1C[NH2+]Cc1cccc(Br)c1C ZINC000580962152 564781582 /nfs/dbraw/zinc/78/15/82/564781582.db2.gz BJHXYQMQQJSUET-UHFFFAOYSA-N 1 0 393.329 2.926 20 0 GFADRO Cn1cc(C(=O)NC[C@]2([NH+](C)C)CCSC2)c(-c2ccc(Cl)s2)n1 ZINC000580986687 564782156 /nfs/dbraw/zinc/78/21/56/564782156.db2.gz VJCYGAUYBORSIR-MRXNPFEDSA-N 1 0 384.958 2.969 20 0 GFADRO C[C@@H]1[NH2+]CC[C@@H]1C(=O)N=c1cc(-c2cc(Br)ccc2Cl)[nH][nH]1 ZINC000581010780 564784307 /nfs/dbraw/zinc/78/43/07/564784307.db2.gz ZDENRZBMEUAUCP-WPRPVWTQSA-N 1 0 383.677 2.851 20 0 GFADRO CC(C)[N@@H+](C)C[C@H](C)Nc1cnn(-c2ccccn2)c(=O)c1Br ZINC000555206428 564786415 /nfs/dbraw/zinc/78/64/15/564786415.db2.gz BSEBPZGDFVYYCR-LBPRGKRZSA-N 1 0 380.290 2.531 20 0 GFADRO Fc1ccc(I)c(F)c1CN1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000581072274 564787169 /nfs/dbraw/zinc/78/71/69/564787169.db2.gz VXCLIIBXJTUOJL-ZJUUUORDSA-N 1 0 378.204 2.611 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1cnn(-c2ccc(Cl)cc2)c1C ZINC000491170861 564787242 /nfs/dbraw/zinc/78/72/42/564787242.db2.gz IDUINOJWQOLBOC-INIZCTEOSA-N 1 0 382.917 2.597 20 0 GFADRO CCCOc1ccc(Br)cc1CN1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000491204797 564788805 /nfs/dbraw/zinc/78/88/05/564788805.db2.gz DUDPDDRYSGOQEZ-KRWDZBQOSA-N 1 0 382.346 2.717 20 0 GFADRO CC[C@H]([NH3+])CNC(=O)c1c(C)nn(Cc2cccc(Br)c2)c1C ZINC000581130995 564788828 /nfs/dbraw/zinc/78/88/28/564788828.db2.gz CICSRKMKLCREMC-HNNXBMFYSA-N 1 0 379.302 2.778 20 0 GFADRO CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cc(Br)ccn1 ZINC000491350012 564790316 /nfs/dbraw/zinc/79/03/16/564790316.db2.gz WBPPORHWFUANOT-SFHVURJKSA-N 1 0 376.298 2.917 20 0 GFADRO Cc1sc2ncnc(SCCC(=O)N3CC[C@H]4C[NH2+]C[C@@H]4C3)c2c1C ZINC000581192904 564792434 /nfs/dbraw/zinc/79/24/34/564792434.db2.gz ALNPPXBKLOYLMM-UONOGXRCSA-N 1 0 376.551 2.858 20 0 GFADRO O=C(NC[C@@H]1CCCC[N@H+]1CCO)N[C@@H]1COc2c1ccc(Cl)c2Cl ZINC000581236201 564794688 /nfs/dbraw/zinc/79/46/88/564794688.db2.gz NMJLTFYSGSLBQX-SMDDNHRTSA-N 1 0 388.295 2.573 20 0 GFADRO CC(C)[C@H](CNC(=O)c1sc2ncccc2c1Cl)N1CC[NH+](C)CC1 ZINC000528557581 564794863 /nfs/dbraw/zinc/79/48/63/564794863.db2.gz UOFOPIXLIQYNKL-AWEZNQCLSA-N 1 0 380.945 2.952 20 0 GFADRO OCC[C@@H]([NH2+]Cc1cn(-c2cccc(Cl)c2Cl)nn1)C1CCOCC1 ZINC000461399600 564795959 /nfs/dbraw/zinc/79/59/59/564795959.db2.gz LFENRBPPBGQDBF-OAHLLOKOSA-N 1 0 385.295 2.841 20 0 GFADRO CC1CC[NH+](CCNS(=O)(=O)c2ccc(OCC(F)(F)F)cc2)CC1 ZINC000491872603 564796195 /nfs/dbraw/zinc/79/61/95/564796195.db2.gz CYXOUKFPWXGQIQ-UHFFFAOYSA-N 1 0 380.432 2.638 20 0 GFADRO C[NH+](C)CC(C)(C)CNc1ncnc2ccc(I)cc21 ZINC000461466539 564798482 /nfs/dbraw/zinc/79/84/82/564798482.db2.gz ZKNMJBUORLYNLY-UHFFFAOYSA-N 1 0 384.265 3.234 20 0 GFADRO C[C@@]1(c2ccc(Br)s2)NC(=O)N(CCC2CC[NH2+]CC2)C1=O ZINC000581364665 564799192 /nfs/dbraw/zinc/79/91/92/564799192.db2.gz BNCONPYQRJZPHP-HNNXBMFYSA-N 1 0 386.315 2.667 20 0 GFADRO CC(C)[N@H+](CCCS(=O)(=O)N(C)C)Cc1ccc(Br)cc1 ZINC000492209018 564800473 /nfs/dbraw/zinc/80/04/73/564800473.db2.gz RAFLAZJMVWKMRE-UHFFFAOYSA-N 1 0 377.348 2.941 20 0 GFADRO CSCCCNC(=O)C(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000555668731 564801198 /nfs/dbraw/zinc/80/11/98/564801198.db2.gz XLKNPTWJZOZMEO-OAHLLOKOSA-N 1 0 383.583 2.507 20 0 GFADRO CCC[N@H+](CC)C[C@@H](C)NC(=O)CCNC(=O)c1ccc(Br)cc1 ZINC000461622180 564801353 /nfs/dbraw/zinc/80/13/53/564801353.db2.gz ZLVRQLCRBTXUGR-CQSZACIVSA-N 1 0 398.345 2.806 20 0 GFADRO CC(C)[NH+](CCNC(=O)C(=O)N(C)Cc1ccccc1Br)C(C)C ZINC000555661374 564801856 /nfs/dbraw/zinc/80/18/56/564801856.db2.gz AMUNEYQOBNTESL-UHFFFAOYSA-N 1 0 398.345 2.643 20 0 GFADRO C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[NH2+]C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000528761496 564803825 /nfs/dbraw/zinc/80/38/25/564803825.db2.gz YWWGILUDQSHHHL-LGDVELKSSA-N 1 0 376.266 2.729 20 0 GFADRO CCCC[C@H]1CCC[C@H]1[NH2+]CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl ZINC000492870882 564804798 /nfs/dbraw/zinc/80/47/98/564804798.db2.gz HSZAVECEDCOHNB-SWLSCSKDSA-N 1 0 387.933 2.874 20 0 GFADRO C[C@@H]1CN(C(=O)NCCNc2ncc(C(F)(F)F)cc2Cl)[C@H](C)C[NH2+]1 ZINC000581537553 564806819 /nfs/dbraw/zinc/80/68/19/564806819.db2.gz LHOOCTXINDDAQB-NXEZZACHSA-N 1 0 379.814 2.558 20 0 GFADRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1cc(O)cc(Br)c1 ZINC000528850652 564808020 /nfs/dbraw/zinc/80/80/20/564808020.db2.gz LTHKTOYPQGRKKV-SJORKVTESA-N 1 0 397.313 2.652 20 0 GFADRO O[C@H](C[NH2+]C[C@@H]1COc2ccccc2O1)COc1cccc(Br)c1 ZINC000555889514 564808091 /nfs/dbraw/zinc/80/80/91/564808091.db2.gz VIZNHNPBNDBHAQ-GDBMZVCRSA-N 1 0 394.265 2.618 20 0 GFADRO C[N@H+](CCO)C1CCN(C(=O)[C@@H]2C[C@H]2c2csc(Br)c2)CC1 ZINC000528906400 564809222 /nfs/dbraw/zinc/80/92/22/564809222.db2.gz UAAMJOIOBONWBW-UONOGXRCSA-N 1 0 387.343 2.529 20 0 GFADRO O=c1cc(C[NH+]2CCC(OC3CCC3)CC2)nc2ccc(Br)cn12 ZINC000581598063 564810229 /nfs/dbraw/zinc/81/02/29/564810229.db2.gz FHNMHJNLALYAPN-UHFFFAOYSA-N 1 0 392.297 2.991 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1cccc(Cl)c1Br ZINC000493734631 564810697 /nfs/dbraw/zinc/81/06/97/564810697.db2.gz GADZUFMLUGLTHR-SNVBAGLBSA-N 1 0 381.723 2.865 20 0 GFADRO C[N@@H+]1CCN(CC(=O)Nc2c(F)cc(F)cc2Br)CC1(C)C ZINC000556085481 564812256 /nfs/dbraw/zinc/81/22/56/564812256.db2.gz XCQRMOHPVIUOSO-UHFFFAOYSA-N 1 0 376.245 2.692 20 0 GFADRO CS(=O)(=O)CC1CCC([NH2+]C[C@@H](CO)Cc2c(F)cccc2Cl)CC1 ZINC000556092731 564812523 /nfs/dbraw/zinc/81/25/23/564812523.db2.gz CVADQYDJUNQSAT-SLTAFYQDSA-N 1 0 391.936 2.823 20 0 GFADRO O=C(C[C@@H]1C[NH2+]CCO1)NCC1(c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000581665900 564812725 /nfs/dbraw/zinc/81/27/25/564812725.db2.gz MOUCKNRPYYESAJ-GFCCVEGCSA-N 1 0 376.806 2.885 20 0 GFADRO O=C(NCC[C@H]1CCC[NH2+]1)Nc1ccnn1Cc1cccc(Br)c1 ZINC000581673553 564813864 /nfs/dbraw/zinc/81/38/64/564813864.db2.gz VKIWMVACQNGWOI-OAHLLOKOSA-N 1 0 392.301 2.958 20 0 GFADRO O=C(CC[N@@H+]1CCc2cc[nH]c(=O)c2C1)Nc1cccc(Br)c1 ZINC000494090584 564816872 /nfs/dbraw/zinc/81/68/72/564816872.db2.gz RZHABQCVSZNNLR-UHFFFAOYSA-N 1 0 376.254 2.937 20 0 GFADRO CC(C)[N@H+](C)CCCNC(=O)COc1cccc(I)c1 ZINC000494307840 564822975 /nfs/dbraw/zinc/82/29/75/564822975.db2.gz GPTFYPSXESGUIH-UHFFFAOYSA-N 1 0 390.265 2.517 20 0 GFADRO Cc1ccc(S(=O)(=O)N(C)C[C@H]2CCC[N@H+](C)C2)cc1Br ZINC000462140233 564823163 /nfs/dbraw/zinc/82/31/63/564823163.db2.gz MAOPHPGCJPEALN-ZDUSSCGKSA-N 1 0 375.332 2.720 20 0 GFADRO C[C@]1(Br)C[C@H]1C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000529168916 564823400 /nfs/dbraw/zinc/82/34/00/564823400.db2.gz RNVVZTKDRJXPGR-BQFCYCMXSA-N 1 0 381.314 2.567 20 0 GFADRO COc1ccc(C[N@@H+]2CCCN(Cc3c(Br)cnn3C)CC2)cc1 ZINC000494425366 564829514 /nfs/dbraw/zinc/82/95/14/564829514.db2.gz LFBXSMZBHOARET-UHFFFAOYSA-N 1 0 393.329 2.899 20 0 GFADRO O=C(Cc1ccc(I)cc1)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000582061325 564829619 /nfs/dbraw/zinc/82/96/19/564829619.db2.gz LDXYYJNFTMOHGG-LSDHHAIUSA-N 1 0 398.288 2.682 20 0 GFADRO C[C@H](NC(=O)NCc1cc(F)c(Br)cc1F)[C@H]1CCC[NH2+]C1 ZINC000529334413 564830316 /nfs/dbraw/zinc/83/03/16/564830316.db2.gz WQRIKKZHNNPHQW-UWVGGRQHSA-N 1 0 376.245 2.915 20 0 GFADRO C[C@@H](NC(=O)C[NH2+][C@@H](CO)C1CCOCC1)c1ccc(Cl)cc1Cl ZINC000582082513 564830288 /nfs/dbraw/zinc/83/02/88/564830288.db2.gz MXVXXKXFZQSKOR-BZNIZROVSA-N 1 0 375.296 2.548 20 0 GFADRO O=C(N[C@@H]1CC[NH2+]C12CCC2)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000529362655 564830846 /nfs/dbraw/zinc/83/08/46/564830846.db2.gz YWYUZGSWIQWAGY-CQSZACIVSA-N 1 0 384.311 2.505 20 0 GFADRO O=C(COc1ccsc1Cl)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000556579145 564831315 /nfs/dbraw/zinc/83/13/15/564831315.db2.gz NCUYJODLLCIHRE-HNNXBMFYSA-N 1 0 380.897 2.663 20 0 GFADRO COc1ccc([C@@H](C[NH+](C)C)NC(=O)c2cc(Br)cn2C)cc1 ZINC000556587386 564831444 /nfs/dbraw/zinc/83/14/44/564831444.db2.gz XQOAMZKYQHKQFX-OAHLLOKOSA-N 1 0 380.286 2.829 20 0 GFADRO CC[C@@H](C)[N@H+](C)CCNS(=O)(=O)c1cnn(-c2ccc(Cl)cc2)c1C ZINC000462295059 564831784 /nfs/dbraw/zinc/83/17/84/564831784.db2.gz LRNUUSXWMIMUOT-CYBMUJFWSA-N 1 0 384.933 2.843 20 0 GFADRO CC[N@@H+]1C[C@@H](C)N(C(=O)Nc2cccc(C(=O)NC)c2Br)C[C@H]1C ZINC000494504239 564832519 /nfs/dbraw/zinc/83/25/19/564832519.db2.gz QIASAQZYVUSBPV-VXGBXAGGSA-N 1 0 397.317 2.755 20 0 GFADRO C[NH+](C)C[C@H](CNS(=O)(=O)CCC1CCOCC1)c1ccc(Cl)cc1 ZINC000582185573 564833867 /nfs/dbraw/zinc/83/38/67/564833867.db2.gz QVWXNKAXWWHBQT-KRWDZBQOSA-N 1 0 388.961 2.721 20 0 GFADRO Cc1cccc(CC(=O)N2CCC[C@H](C[N@@H+]3CC[C@@H](O)C3)C2)c1Br ZINC000529399476 564834320 /nfs/dbraw/zinc/83/43/20/564834320.db2.gz QLIXVDUTAXZTGM-NVXWUHKLSA-N 1 0 395.341 2.605 20 0 GFADRO O=C(NC[C@@H]1CCC[N@H+]1CCCO)[C@@H]1C[C@H]1c1csc(Br)c1 ZINC000529438702 564835882 /nfs/dbraw/zinc/83/58/82/564835882.db2.gz LAFQAELIAYEATG-MELADBBJSA-N 1 0 387.343 2.577 20 0 GFADRO Cc1ccc(S(=O)(=O)NCC[NH2+]C2CC(OCc3ccccc3)C2)s1 ZINC000494640161 564836096 /nfs/dbraw/zinc/83/60/96/564836096.db2.gz ZFRKPAASAPUYHJ-UHFFFAOYSA-N 1 0 380.535 2.672 20 0 GFADRO O=C(NC[C@H]1CCCC[N@H+]1CCO)[C@@H]1C[C@H]1c1csc(Br)c1 ZINC000529440186 564836142 /nfs/dbraw/zinc/83/61/42/564836142.db2.gz CIAKUZAEROTUCJ-HZSPNIEDSA-N 1 0 387.343 2.577 20 0 GFADRO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1CC/C=C\c1ccc(Br)cc1 ZINC000494701661 564836873 /nfs/dbraw/zinc/83/68/73/564836873.db2.gz GIVVXBQKXPKIJE-ASKPUQFJSA-N 1 0 387.343 2.866 20 0 GFADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)NCC(C)(C)[NH+]2CCCCC2)c1 ZINC000462423587 564838613 /nfs/dbraw/zinc/83/86/13/564838613.db2.gz AJROOODYRNIGKF-UHFFFAOYSA-N 1 0 388.917 2.669 20 0 GFADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)NC[C@@H](C)[N@@H+]2CCCC[C@@H]2C)c1 ZINC000462441749 564839571 /nfs/dbraw/zinc/83/95/71/564839571.db2.gz PQLJXOGRPPCXEV-QWHCGFSZSA-N 1 0 388.917 2.668 20 0 GFADRO C[N@@H+]1CCN(C(=O)[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)CC1(C)C ZINC000556803501 564840857 /nfs/dbraw/zinc/84/08/57/564840857.db2.gz XJKHNVMFRIMNMH-CYBMUJFWSA-N 1 0 384.307 2.899 20 0 GFADRO NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1Cc1c[nH]nc1-c1ccc(Br)s1 ZINC000529555965 564842372 /nfs/dbraw/zinc/84/23/72/564842372.db2.gz MPSPJMGDPLGELC-OSQNNJELSA-N 1 0 395.326 2.987 20 0 GFADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)NCCC[N@@H+]2CCCC[C@H]2C)c1 ZINC000462478743 564842508 /nfs/dbraw/zinc/84/25/08/564842508.db2.gz UYJLLHAJWQTPHS-CYBMUJFWSA-N 1 0 388.917 2.669 20 0 GFADRO O=S(=O)(NC[C@H]1CCCN(Cc2c(F)ccc(F)c2Cl)C1)C1CC1 ZINC000529571705 564842863 /nfs/dbraw/zinc/84/28/63/564842863.db2.gz VBHMRNFPBRJHDL-LLVKDONJSA-N 1 0 378.872 2.912 20 0 GFADRO C[C@H]1C[NH+](CCC2CCN(Cc3c(Br)cnn3C)CC2)C[C@H](C)O1 ZINC000494985380 564844909 /nfs/dbraw/zinc/84/49/09/564844909.db2.gz JNCCKJLLOJZQJV-GJZGRUSLSA-N 1 0 399.377 2.894 20 0 GFADRO CC1CC[NH+](CCNC(=O)NCc2cc(Br)cc3c2OCC3)CC1 ZINC000462514105 564845407 /nfs/dbraw/zinc/84/54/07/564845407.db2.gz OHMSTOWFXTZGRQ-UHFFFAOYSA-N 1 0 396.329 2.915 20 0 GFADRO COC(=O)c1cccc(NC(=O)N[C@@H]2CCC[N@H+](C)[C@H]2C)c1Br ZINC000495031397 564846512 /nfs/dbraw/zinc/84/65/12/564846512.db2.gz RNVDLSAEPWAOOM-CMPLNLGQSA-N 1 0 384.274 2.840 20 0 GFADRO C[C@@H](CCn1cccn1)[NH2+]CCNS(=O)(=O)c1cccc(Cl)c1Cl ZINC000556913614 564846896 /nfs/dbraw/zinc/84/68/96/564846896.db2.gz UXIXVOBWRFZOOO-LBPRGKRZSA-N 1 0 391.324 2.537 20 0 GFADRO COC(=O)c1cccc(NC(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1Br ZINC000495035668 564847030 /nfs/dbraw/zinc/84/70/30/564847030.db2.gz JSGQPNULJDYHGV-VXGBXAGGSA-N 1 0 396.285 2.984 20 0 GFADRO CC[NH+]1C[C@H](C)N(C(=O)c2cc(F)ccc2I)[C@@H](C)C1 ZINC000582444643 564847555 /nfs/dbraw/zinc/84/75/55/564847555.db2.gz MLMPPDYAUBBXDN-QWRGUYRKSA-N 1 0 390.240 2.985 20 0 GFADRO CC[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C(C)(C)C)C[C@H]2C(F)(F)F)C[C@H](C)[S@]1=O ZINC000556937038 564847634 /nfs/dbraw/zinc/84/76/34/564847634.db2.gz VVBWWCDCHQYIPA-RHJRDCDUSA-N 1 0 382.492 2.653 20 0 GFADRO COc1cc(Br)c(NC(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)cc1OC ZINC000556957932 564848923 /nfs/dbraw/zinc/84/89/23/564848923.db2.gz VAOSTSZJCPMXJR-PHIMTYICSA-N 1 0 384.274 2.825 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)C(=O)N[C@@H](c1cccs1)C1CC1)c1cccs1 ZINC000582500369 564848930 /nfs/dbraw/zinc/84/89/30/564848930.db2.gz KCNLBZNPXBTIPU-CZUORRHYSA-N 1 0 377.535 2.796 20 0 GFADRO C[C@]1(n2cc(C[NH2+]Cc3ccc4sccc4c3)cn2)CCS(=O)(=O)C1 ZINC000582574993 564852700 /nfs/dbraw/zinc/85/27/00/564852700.db2.gz OLLGNDXCODYJPS-SFHVURJKSA-N 1 0 375.519 2.921 20 0 GFADRO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]Cc1ccnc2ccnn21 ZINC000495440084 564854988 /nfs/dbraw/zinc/85/49/88/564854988.db2.gz OSDJBPVZSQWEJH-GFCCVEGCSA-N 1 0 388.269 2.999 20 0 GFADRO CCN(Cc1ccc(Cl)s1)C(=O)C(=O)NC[C@@H](C)[NH+]1CCC(C)CC1 ZINC000557120448 564854995 /nfs/dbraw/zinc/85/49/95/564854995.db2.gz FJBVOMJOYOFDKK-CQSZACIVSA-N 1 0 385.961 2.987 20 0 GFADRO CS[C@@H]1CN(C(=O)Cc2ccc(Br)c(F)c2)C[C@H]1[NH+](C)C ZINC000495697764 564855878 /nfs/dbraw/zinc/85/58/78/564855878.db2.gz YEYKJHIKYUAVDP-ZIAGYGMSSA-N 1 0 375.307 2.635 20 0 GFADRO CS[C@@H]1CN(C(=O)C2=Cc3cc(Br)ccc3OC2)C[C@H]1[NH+](C)C ZINC000495711742 564856975 /nfs/dbraw/zinc/85/69/75/564856975.db2.gz HEPBQGFZUSIPDC-GDBMZVCRSA-N 1 0 397.338 2.729 20 0 GFADRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)NCc3cc(Br)cc4c3OCC4)C[C@H]21 ZINC000557181520 564857570 /nfs/dbraw/zinc/85/75/70/564857570.db2.gz VUKGCMQRAWMYQJ-APHBMKBZSA-N 1 0 394.313 2.653 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)NCc3cc(Br)cc4c3OCC4)C[C@@H]21 ZINC000557181522 564857889 /nfs/dbraw/zinc/85/78/89/564857889.db2.gz VUKGCMQRAWMYQJ-UHOFOFEASA-N 1 0 394.313 2.653 20 0 GFADRO CC(C)[C@H](Oc1ccccc1Br)C(=O)N[C@@H](CC[NH3+])C(F)F ZINC000582724787 564859085 /nfs/dbraw/zinc/85/90/85/564859085.db2.gz HDFXPCREBLHMPQ-AAEUAGOBSA-N 1 0 379.245 2.951 20 0 GFADRO Cc1cc(S(=O)(=O)NCCC[C@H]2CCC[NH2+]2)c(C)cc1Br ZINC000582785644 564861752 /nfs/dbraw/zinc/86/17/52/564861752.db2.gz MKUNMFTYONDJST-CYBMUJFWSA-N 1 0 375.332 2.876 20 0 GFADRO C[C@H](CNC(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)c(Cl)c1)C[NH+](C)C ZINC000557468486 564864469 /nfs/dbraw/zinc/86/44/69/564864469.db2.gz GJYJOTFPSVFBJZ-CJBNDPTMSA-N 1 0 386.323 2.827 20 0 GFADRO CN(C)c1ncc(Br)cc1C(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000582907994 564867497 /nfs/dbraw/zinc/86/74/97/564867497.db2.gz QCFRWYJBAMOCDD-UHFFFAOYSA-N 1 0 375.270 2.808 20 0 GFADRO COC(=O)[C@@](C)(O)C[NH+]1CCC(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000582928298 564868372 /nfs/dbraw/zinc/86/83/72/564868372.db2.gz IFNGPNCGUWANNZ-KRWDZBQOSA-N 1 0 389.279 2.568 20 0 GFADRO O=C(C[NH2+]C1CCN(CC(F)F)CC1)Nc1ccc(Br)cc1 ZINC000463069984 564868628 /nfs/dbraw/zinc/86/86/28/564868628.db2.gz YQQIMPKXASQMKX-UHFFFAOYSA-N 1 0 376.245 2.707 20 0 GFADRO C[NH+](C)[C@]1(CNC(=O)NCc2ccc(Br)c(F)c2)CCSC1 ZINC000497500162 564869232 /nfs/dbraw/zinc/86/92/32/564869232.db2.gz CVKXGUWMGFYYJO-HNNXBMFYSA-N 1 0 390.322 2.825 20 0 GFADRO O=C(Nc1cnn(-c2ncc(Cl)cc2Cl)c1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000582952214 564869266 /nfs/dbraw/zinc/86/92/66/564869266.db2.gz IGIAXGALNMPFHR-HZMBPMFUSA-N 1 0 381.267 2.790 20 0 GFADRO Cc1ccc(Br)c(S(=O)(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)c1 ZINC000582964622 564870295 /nfs/dbraw/zinc/87/02/95/564870295.db2.gz VHNSLKBECHCYEN-JOCQHMNTSA-N 1 0 375.332 2.801 20 0 GFADRO C[C@@]1(C[NH3+])CCN(C(=O)Nc2ccc(I)cc2F)C1 ZINC000583034866 564872735 /nfs/dbraw/zinc/87/27/35/564872735.db2.gz KSCIFAAHGIPHHP-ZDUSSCGKSA-N 1 0 377.201 2.633 20 0 GFADRO CN1C(=O)c2ccccc2[C@@H]1C[NH2+]C[C@@H](O)c1cccc(Br)c1 ZINC000530243910 564872888 /nfs/dbraw/zinc/87/28/88/564872888.db2.gz LZZUXNVYFUSJRH-DLBZAZTESA-N 1 0 375.266 2.899 20 0 GFADRO Fc1c(Br)ccc(CN[C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)c1F ZINC000530223388 564873139 /nfs/dbraw/zinc/87/31/39/564873139.db2.gz UYMPBJGHLKFKCZ-KWCYVHTRSA-N 1 0 375.257 2.974 20 0 GFADRO C[NH+](C)CC1CCN(C(=O)NCc2cc(Br)cc3c2OCC3)CC1 ZINC000463258011 564874996 /nfs/dbraw/zinc/87/49/96/564874996.db2.gz QKMVHBOHVFHPLN-UHFFFAOYSA-N 1 0 396.329 2.867 20 0 GFADRO COCCC[N@H+](C)CCNC(=O)N(C)CCc1cccc(Br)c1 ZINC000463300652 564875488 /nfs/dbraw/zinc/87/54/88/564875488.db2.gz KXZGRQUSZKZJMT-UHFFFAOYSA-N 1 0 386.334 2.601 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)N1CCC(F)(F)[C@H](CO)C1)c1ccc(Cl)cc1 ZINC000583118028 564876195 /nfs/dbraw/zinc/87/61/95/564876195.db2.gz PMNIYIZRNYTGPR-ZFWWWQNUSA-N 1 0 375.847 2.602 20 0 GFADRO CC[C@H]([NH2+]C1CCC2(CC1)NC(=O)NC2=O)c1nc(C(F)(F)F)cs1 ZINC000557831768 564879754 /nfs/dbraw/zinc/87/97/54/564879754.db2.gz HAMYWPUCFONOKK-PUUHTONNSA-N 1 0 376.404 2.723 20 0 GFADRO CC[N@@H+](CC(=O)N(C)CCOc1ccc(Br)cc1)C[C@H](C)OC ZINC000463410933 564880030 /nfs/dbraw/zinc/88/00/30/564880030.db2.gz DJPALWOBPPYCKM-AWEZNQCLSA-N 1 0 387.318 2.643 20 0 GFADRO O=C(C[NH2+][C@H]1CCCC[C@H]1N1CCOCC1)Nc1ccc(Br)cc1 ZINC000530419666 564880789 /nfs/dbraw/zinc/88/07/89/564880789.db2.gz LBXAKVJNSWKHRG-DLBZAZTESA-N 1 0 396.329 2.621 20 0 GFADRO C[C@@H]1CN(C(=O)c2c(Cl)cccc2S(C)(=O)=O)CCN(C2CCC2)C1 ZINC000557840469 564880948 /nfs/dbraw/zinc/88/09/48/564880948.db2.gz ZSKJJNNZBDZDNA-ZDUSSCGKSA-N 1 0 384.929 2.690 20 0 GFADRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1S(=O)(=O)c1cccc(Br)c1F ZINC000557852328 564881862 /nfs/dbraw/zinc/88/18/62/564881862.db2.gz DYEJVSYIHQYQES-YPMHNXCESA-N 1 0 391.306 2.836 20 0 GFADRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNS(=O)(=O)Cc1ccccc1Br ZINC000557846837 564881941 /nfs/dbraw/zinc/88/19/41/564881941.db2.gz SDRRBLOIDSPGEX-HNNXBMFYSA-N 1 0 389.359 2.989 20 0 GFADRO [NH3+]Cc1cc(C(=O)N2CCO[C@@H](c3cccc(Br)c3)C2)ccn1 ZINC000463491349 564882565 /nfs/dbraw/zinc/88/25/65/564882565.db2.gz QLSOPYUSBCJYMS-MRXNPFEDSA-N 1 0 376.254 2.517 20 0 GFADRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1S(=O)(=O)c1ccc(OC(F)F)c(F)c1 ZINC000557855062 564882947 /nfs/dbraw/zinc/88/29/47/564882947.db2.gz NRMQMSFSBXHCPL-FZMZJTMJSA-N 1 0 378.416 2.674 20 0 GFADRO COc1ccc(Br)c(CN(C)C(=O)NCCC2=CC[NH2+]CC2)c1 ZINC000583252925 564883138 /nfs/dbraw/zinc/88/31/38/564883138.db2.gz KWBTXWQPIVIFCI-UHFFFAOYSA-N 1 0 382.302 2.909 20 0 GFADRO O[C@@H](C[NH2+]CCc1cn2c(n1)CCCC2)COc1ccc(Br)cc1 ZINC000583258275 564883567 /nfs/dbraw/zinc/88/35/67/564883567.db2.gz QEEQWHVYVNGQKL-INIZCTEOSA-N 1 0 394.313 2.554 20 0 GFADRO Cc1cc(Br)cc(C(=O)N2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)c1 ZINC000463597472 564885109 /nfs/dbraw/zinc/88/51/09/564885109.db2.gz MNWGFGFHIJZAKP-CRAIPNDOSA-N 1 0 394.357 2.856 20 0 GFADRO COCC[NH2+]C1CCN(S(=O)(=O)c2c(C)sc3c2cccc3C)CC1 ZINC000583386250 564888833 /nfs/dbraw/zinc/88/88/33/564888833.db2.gz NQQJQMUHFMDFNG-UHFFFAOYSA-N 1 0 382.551 2.907 20 0 GFADRO Cc1cccnc1CC[NH2+]CCS(=O)(=O)c1cccc(Br)c1 ZINC000583377095 564889245 /nfs/dbraw/zinc/88/92/45/564889245.db2.gz YRVUGKLWKAFNJG-UHFFFAOYSA-N 1 0 383.311 2.759 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)N1CC[N@H+](C[C@@H](C)O)C[C@@H]1C ZINC000498128334 564890060 /nfs/dbraw/zinc/89/00/60/564890060.db2.gz APMMGXWGLBFULY-QWHCGFSZSA-N 1 0 384.318 2.930 20 0 GFADRO CN(C)CC[N@H+](C)CCCN(C)c1ncnc2cc(F)c(Br)cc21 ZINC000558048346 564890155 /nfs/dbraw/zinc/89/01/55/564890155.db2.gz LJIYFADIYYHPQB-UHFFFAOYSA-N 1 0 398.324 2.851 20 0 GFADRO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)CNC(=O)c1sc2ccccc2c1Cl ZINC000583439610 564891002 /nfs/dbraw/zinc/89/10/02/564891002.db2.gz BGLYXCMTCQOJLJ-WCQYABFASA-N 1 0 379.913 2.918 20 0 GFADRO [NH3+][C@H](CC(F)F)C(=O)NCCSCCOc1cccc(Br)c1 ZINC000498208836 564891568 /nfs/dbraw/zinc/89/15/68/564891568.db2.gz UNHSJGHLYMHFNQ-GFCCVEGCSA-N 1 0 397.285 2.660 20 0 GFADRO CCOC(=O)C[C@H](NC(=O)[C@@H]([NH3+])CC(F)F)c1ccc(Br)cc1 ZINC000498203361 564892038 /nfs/dbraw/zinc/89/20/38/564892038.db2.gz YPWKURWBPPGIDX-RYUDHWBXSA-N 1 0 393.228 2.542 20 0 GFADRO CCOC(=O)C[C@@H](NC(=O)[C@@H]([NH3+])CC(F)F)c1ccc(Br)cc1 ZINC000498203360 564892190 /nfs/dbraw/zinc/89/21/90/564892190.db2.gz YPWKURWBPPGIDX-NWDGAFQWSA-N 1 0 393.228 2.542 20 0 GFADRO C[C@@H](CCNC(=O)NCc1n[nH]cc1Br)[N@H+](C)Cc1ccccc1 ZINC000530840850 564896048 /nfs/dbraw/zinc/89/60/48/564896048.db2.gz MLCQLRXJSGGXPY-ZDUSSCGKSA-N 1 0 394.317 2.882 20 0 GFADRO CN1CC[NH+](CCCCNC(=O)c2cc(Cl)ccc2OC(F)F)CC1 ZINC000530894043 564897287 /nfs/dbraw/zinc/89/72/87/564897287.db2.gz MOUYZTRHVUPKJX-UHFFFAOYSA-N 1 0 375.847 2.699 20 0 GFADRO CC1(C)[C@H](O)C[C@@H]1[NH2+]C[C@H](O)COc1ccc(Cl)cc1Br ZINC000583565307 564897672 /nfs/dbraw/zinc/89/76/72/564897672.db2.gz ZETNUXMFZLWOLW-LEWSCRJBSA-N 1 0 378.694 2.591 20 0 GFADRO C[NH+](C)CCOc1ccc(NC(=O)C2CN(CC(F)(F)F)C2)cc1Cl ZINC000498385956 564897792 /nfs/dbraw/zinc/89/77/92/564897792.db2.gz IIFBLHHRSXHKJZ-UHFFFAOYSA-N 1 0 379.810 2.713 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)c1csc(-c2nc[nH]n2)n1)c1ccc(Cl)cc1 ZINC000531080214 564900880 /nfs/dbraw/zinc/90/08/80/564900880.db2.gz RHTDVHPOEYTQTC-ZDUSSCGKSA-N 1 0 376.873 2.614 20 0 GFADRO CC[NH+](CC)CC[C@H](CO)NC(=O)Nc1cc(Br)cc(OC)c1 ZINC000498544067 564902097 /nfs/dbraw/zinc/90/20/97/564902097.db2.gz OFAXYOHMBRLNFM-CYBMUJFWSA-N 1 0 388.306 2.672 20 0 GFADRO C[C@H]1C[N@H+](C)CCN1c1ccc(Br)cc1NC(=O)c1cncnc1 ZINC000583677390 564902196 /nfs/dbraw/zinc/90/21/96/564902196.db2.gz AVMXWIYNVHGPPH-LBPRGKRZSA-N 1 0 390.285 2.632 20 0 GFADRO CC[N@@H+]1C[C@@H](C)N(C(=O)CCNC(=O)c2ccc(Br)cc2)C[C@@H]1C ZINC000498572246 564902793 /nfs/dbraw/zinc/90/27/93/564902793.db2.gz YHODWALDDSHTIS-UONOGXRCSA-N 1 0 396.329 2.510 20 0 GFADRO CC[NH+](CC)C[C@H]1CCCC[C@H]1NC(=O)NCc1n[nH]cc1Br ZINC000531190914 564903818 /nfs/dbraw/zinc/90/38/18/564903818.db2.gz YBAYPQVXQOIAKU-TZMCWYRMSA-N 1 0 386.338 2.872 20 0 GFADRO CC(C)[N@H+](C)CCNC(=O)C(=O)Nc1cc(F)c(Br)c(Cl)c1 ZINC000498665091 564905132 /nfs/dbraw/zinc/90/51/32/564905132.db2.gz XNPBRCNQOWPVMH-UHFFFAOYSA-N 1 0 394.672 2.637 20 0 GFADRO [NH3+]C[C@H]1CC[C@H](Cn2cnc3ccc(I)cc3c2=O)CC1 ZINC000583747643 564906015 /nfs/dbraw/zinc/90/60/15/564906015.db2.gz QHQKAYVUYQMKPN-HAQNSBGRSA-N 1 0 397.260 2.766 20 0 GFADRO C[C@H]1CC[N@H+](C)CCN1C(=O)[C@@H]1CCN(c2cc(Cl)ccc2Cl)C1=O ZINC000498710982 564906105 /nfs/dbraw/zinc/90/61/05/564906105.db2.gz RTAWJYQNDJWQAS-JSGCOSHPSA-N 1 0 384.307 2.899 20 0 GFADRO C[C@@H]1CC[N@H+](C)CCN1C(=O)C1CCN(C(=O)c2ccc(Cl)s2)CC1 ZINC000498727271 564907425 /nfs/dbraw/zinc/90/74/25/564907425.db2.gz PZFHMXFOGYTXLR-CYBMUJFWSA-N 1 0 383.945 2.806 20 0 GFADRO Cc1ccc(NCC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)c(Br)c1 ZINC000531387522 564909862 /nfs/dbraw/zinc/90/98/62/564909862.db2.gz PQOHKCWXUUQZAR-HNNXBMFYSA-N 1 0 398.345 2.642 20 0 GFADRO O=C(COc1cc(Cl)c(Cl)cc1Cl)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000583870300 564910766 /nfs/dbraw/zinc/91/07/66/564910766.db2.gz JJLJPJJRMDYTRU-LLVKDONJSA-N 1 0 392.714 2.532 20 0 GFADRO CC(C)[N@@H+]1CCO[C@@H](C(=O)NCC2(c3ccccc3Br)CC2)C1 ZINC000498933851 564913385 /nfs/dbraw/zinc/91/33/85/564913385.db2.gz NWRRWMTZJLIXDZ-MRXNPFEDSA-N 1 0 381.314 2.706 20 0 GFADRO COC(=O)c1cc(Br)cc(C(=O)N(C)CCC[NH+]2CCCC2)c1 ZINC000464640838 564914049 /nfs/dbraw/zinc/91/40/49/564914049.db2.gz WFLAGLHKBYBPCA-UHFFFAOYSA-N 1 0 383.286 2.794 20 0 GFADRO COC(=O)c1cc(C[NH2+]C[C@H](O)COc2cccc(Cl)c2Cl)cn1C ZINC000583961520 564914546 /nfs/dbraw/zinc/91/45/46/564914546.db2.gz DOUXUBMSSYIOMA-LBPRGKRZSA-N 1 0 387.263 2.648 20 0 GFADRO CCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[NH+](CC(C)C)CC1 ZINC000558881478 564917633 /nfs/dbraw/zinc/91/76/33/564917633.db2.gz MTDASDKIRFECMD-UHFFFAOYSA-N 1 0 381.322 2.834 20 0 GFADRO C[NH+]1CCC(CCO)(NC(=O)[C@@H]2C[C@H]2c2cccc(Br)c2)CC1 ZINC000499127862 564919266 /nfs/dbraw/zinc/91/92/66/564919266.db2.gz SDSOZCHSTNUYCY-JKSUJKDBSA-N 1 0 381.314 2.516 20 0 GFADRO CN(Cc1cc(Br)cs1)C(=O)C[N@@H+]1CCC[C@@H]2COCC[C@H]21 ZINC000464862604 564919923 /nfs/dbraw/zinc/91/99/23/564919923.db2.gz XOTXXEGLGZLDMC-IUODEOHRSA-N 1 0 387.343 2.970 20 0 GFADRO CC1CC[NH+]([C@@H](CNS(=O)(=O)CC[C@H]2CCOC2)c2cccs2)CC1 ZINC000559024592 564920249 /nfs/dbraw/zinc/92/02/49/564920249.db2.gz NQELHUDOQHOEKL-SJORKVTESA-N 1 0 386.583 2.867 20 0 GFADRO CC[NH+](CC)[C@@H]1CCN(C(=O)Cc2cc3c(cc2Br)OCCO3)C1 ZINC000464968634 564921469 /nfs/dbraw/zinc/92/14/69/564921469.db2.gz PEGGRMBUDPCBGK-CQSZACIVSA-N 1 0 397.313 2.706 20 0 GFADRO Cc1cc(C[NH2+]Cc2ccc(S(=O)(=O)N3CCOCC3)cc2)c(C)s1 ZINC000531857043 564922757 /nfs/dbraw/zinc/92/27/57/564922757.db2.gz FZCXWWOICWCFMV-UHFFFAOYSA-N 1 0 380.535 2.676 20 0 GFADRO COc1cc(Br)ccc1[C@@H](C)NC(=O)c1csc(CC[NH3+])n1 ZINC000584173500 564924446 /nfs/dbraw/zinc/92/44/46/564924446.db2.gz DWFMXRHGEUBZFW-SECBINFHSA-N 1 0 384.299 2.906 20 0 GFADRO CC[C@@H](C(=O)N1CCN([C@H](C)c2ccc(Br)cc2)CC1)[NH+](C)C ZINC000531957903 564925122 /nfs/dbraw/zinc/92/51/22/564925122.db2.gz LDPQIILKSWZKMH-PBHICJAKSA-N 1 0 382.346 2.995 20 0 GFADRO C[C@H](CNC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1)Oc1ccc(Br)cc1 ZINC000584221598 564926126 /nfs/dbraw/zinc/92/61/26/564926126.db2.gz WDTZJICHGYGGCM-KFWWJZLASA-N 1 0 396.329 2.857 20 0 GFADRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)NCc1csc(Br)c1 ZINC000465659527 564930397 /nfs/dbraw/zinc/93/03/97/564930397.db2.gz NJXQJRAIMNXRRA-ZDUSSCGKSA-N 1 0 390.347 2.763 20 0 GFADRO O=C(NCCCC[NH+]1CCOCC1)N[C@H]1COc2c1ccc(Cl)c2Cl ZINC000465591180 564930590 /nfs/dbraw/zinc/93/05/90/564930590.db2.gz FWOGFUUGLVVHMA-AWEZNQCLSA-N 1 0 388.295 2.839 20 0 GFADRO CN(C(=O)NCc1n[nH]cc1Br)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000532143089 564930658 /nfs/dbraw/zinc/93/06/58/564930658.db2.gz XPXMLNUJUORPLZ-CQSZACIVSA-N 1 0 392.301 2.588 20 0 GFADRO COCC(=O)N1CCC([NH2+]Cc2ccc(Br)cc2SC)CC1 ZINC000532296489 564933922 /nfs/dbraw/zinc/93/39/22/564933922.db2.gz IPFDLHVUZVBXKD-UHFFFAOYSA-N 1 0 387.343 2.898 20 0 GFADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)NCc3cccc(Cl)c3Cl)CC[C@H]21 ZINC000559632879 564937608 /nfs/dbraw/zinc/93/76/08/564937608.db2.gz TWLLEQIAHDDJFY-UKRRQHHQSA-N 1 0 384.307 2.552 20 0 GFADRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)CCc1cccc(Br)c1 ZINC000499926529 564940141 /nfs/dbraw/zinc/94/01/41/564940141.db2.gz JMNJKYHBMIXHAP-QGZVFWFLSA-N 1 0 383.330 2.951 20 0 GFADRO CCCC[NH+]1CCC(NC(=O)C(=O)NCc2c(Cl)cccc2Cl)CC1 ZINC000559805463 564940634 /nfs/dbraw/zinc/94/06/34/564940634.db2.gz TYEBLSWYYLMKJW-UHFFFAOYSA-N 1 0 386.323 2.990 20 0 GFADRO O=C(NC1CC[NH+](C2CC2)CC1)c1cccc(F)c1I ZINC000532754592 564944209 /nfs/dbraw/zinc/94/42/09/564944209.db2.gz FYURKOVVYKVAIA-UHFFFAOYSA-N 1 0 388.224 2.787 20 0 GFADRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)Cc2ccccc2I)C1 ZINC000532771685 564945108 /nfs/dbraw/zinc/94/51/08/564945108.db2.gz JGLAVYCQQFPRNN-ZDUSSCGKSA-N 1 0 386.277 2.680 20 0 GFADRO Fc1ccc(Br)c(F)c1CN1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000500112665 564946079 /nfs/dbraw/zinc/94/60/79/564946079.db2.gz DSKCFRLJUPJZNP-GFCCVEGCSA-N 1 0 375.257 2.881 20 0 GFADRO CC[N@@H+]1C[C@@H](C)N(C(=O)c2c(F)cccc2I)C[C@H]1C ZINC000500116909 564946361 /nfs/dbraw/zinc/94/63/61/564946361.db2.gz ZPIJRCSYJKPXPO-GHMZBOCLSA-N 1 0 390.240 2.985 20 0 GFADRO O=C(NCC[NH2+]Cc1cccc(I)c1)c1ccccc1F ZINC000560060055 564947093 /nfs/dbraw/zinc/94/70/93/564947093.db2.gz IRRMLRPEIJWWGL-UHFFFAOYSA-N 1 0 398.219 2.950 20 0 GFADRO Cc1c(Br)cc(CNC[C@@]2(O)CC[N@@H+](C)C2)cc1Br ZINC000560080244 564948724 /nfs/dbraw/zinc/94/87/24/564948724.db2.gz KNPHJYKTOLIDKS-AWEZNQCLSA-N 1 0 392.135 2.676 20 0 GFADRO COc1ccc(Br)cc1CN(C)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000532957441 564950526 /nfs/dbraw/zinc/95/05/26/564950526.db2.gz WKXRQLOCHPLWNS-CQSZACIVSA-N 1 0 382.302 2.836 20 0 GFADRO Cc1nn(-c2cc[nH+]cc2)cc1CNc1ccc(I)cn1 ZINC000466971436 564951537 /nfs/dbraw/zinc/95/15/37/564951537.db2.gz QVEMWXZOSQFEKG-UHFFFAOYSA-N 1 0 391.216 3.187 20 0 GFADRO C/C(=C/c1ccccc1C(F)(F)F)C[NH2+]C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000500426745 564952947 /nfs/dbraw/zinc/95/29/47/564952947.db2.gz ZBGGOTSVGLDUJJ-RNQWEJQRSA-N 1 0 376.444 2.980 20 0 GFADRO CS(=O)(=O)NC[C@@H]1CCC[C@@H]1[NH2+]Cc1cc(Br)ccc1Cl ZINC000500464486 564954005 /nfs/dbraw/zinc/95/40/05/564954005.db2.gz SPMSZAPHNCYYST-HZMBPMFUSA-N 1 0 395.750 2.910 20 0 GFADRO CS(=O)(=O)NC[C@@H]1CCC[C@H]1[NH2+]Cc1c[nH]nc1-c1ccc(Cl)cc1 ZINC000500530004 564955933 /nfs/dbraw/zinc/95/59/33/564955933.db2.gz OXCGYQAUYLFNQS-XJKSGUPXSA-N 1 0 382.917 2.538 20 0 GFADRO CS(=O)(=O)NC[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(OC(F)F)c(Cl)c1 ZINC000500506607 564956240 /nfs/dbraw/zinc/95/62/40/564956240.db2.gz DZVPPQFRYZMLBK-WCQYABFASA-N 1 0 382.860 2.749 20 0 GFADRO CC(C)[N@H+](CCC(=O)Nc1cccc(S(N)(=O)=O)c1)Cc1cccs1 ZINC000533247142 564958644 /nfs/dbraw/zinc/95/86/44/564958644.db2.gz RDFZQVLBSODHEJ-UHFFFAOYSA-N 1 0 381.523 2.635 20 0 GFADRO CN1CC[NH+](CCCCNC(=O)[C@@H]2C[C@H]2c2ccc(Br)cc2)CC1 ZINC000560361198 564958886 /nfs/dbraw/zinc/95/88/86/564958886.db2.gz OXWOFXJTHFLDCL-ZWKOTPCHSA-N 1 0 394.357 2.696 20 0 GFADRO CC[NH+]1CCN(CC(=O)N[C@H](C)CCc2ccc(Br)cc2)CC1 ZINC000467294325 564960028 /nfs/dbraw/zinc/96/00/28/564960028.db2.gz WYDCWKFCBKWDJQ-OAHLLOKOSA-N 1 0 382.346 2.524 20 0 GFADRO C[C@@H]1C[C@H](C)[N@H+](CCC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2Cl)C1 ZINC000533292590 564960490 /nfs/dbraw/zinc/96/04/90/564960490.db2.gz AKKUYTMMQLMYNW-OLZOCXBDSA-N 1 0 387.933 2.649 20 0 GFADRO O=c1cc(CN2CCC[C@H]2C[NH+]2CCCC2)nc2ccc(Br)cn12 ZINC000533401604 564962324 /nfs/dbraw/zinc/96/23/24/564962324.db2.gz VZXNYSTUDPGTAZ-INIZCTEOSA-N 1 0 391.313 2.517 20 0 GFADRO CN1CC[C@@](O)(C[NH2+][C@@H](c2cccc(Br)c2)C2CCOCC2)C1 ZINC000467401379 564962764 /nfs/dbraw/zinc/96/27/64/564962764.db2.gz ZDBIAHYALJRZDI-QZTJIDSGSA-N 1 0 383.330 2.573 20 0 GFADRO COc1ccc2c(c1)[C@H]([NH2+]CCNS(=O)(=O)c1ccccc1)CCS2 ZINC000467407286 564962816 /nfs/dbraw/zinc/96/28/16/564962816.db2.gz SONDOCOOBGYQQX-QGZVFWFLSA-N 1 0 378.519 2.800 20 0 GFADRO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)C[N@H+](C)C1CCOCC1 ZINC000533445598 564963042 /nfs/dbraw/zinc/96/30/42/564963042.db2.gz UIHRDFBZYJJIDD-UHFFFAOYSA-N 1 0 375.252 2.829 20 0 GFADRO O=S(=O)(NCCC[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCC2)c1ccccc1Cl ZINC000467421420 564963363 /nfs/dbraw/zinc/96/33/63/564963363.db2.gz YFKNJXCPVWNUPJ-XOKHGSTOSA-N 1 0 384.929 2.556 20 0 GFADRO O=c1cc(C[N@@H+]2CCC[C@@H]([C@H]3CCOC3)C2)nc2ccc(Br)cn12 ZINC000533539055 564965202 /nfs/dbraw/zinc/96/52/02/564965202.db2.gz PBGKJDFWFNKYOP-KGLIPLIRSA-N 1 0 392.297 2.706 20 0 GFADRO C[C@@H]1CC[N@H+](CCNC(=O)c2cc(Br)cnc2OCC2CC2)C1 ZINC000560548917 564967591 /nfs/dbraw/zinc/96/75/91/564967591.db2.gz KJLDUBJQOLNWCM-GFCCVEGCSA-N 1 0 382.302 2.705 20 0 GFADRO CCOc1c(Cl)cc(NC(=O)C(=O)NC[C@H](C)[N@H+](C)C2CC2)cc1Cl ZINC000467616992 564967787 /nfs/dbraw/zinc/96/77/87/564967787.db2.gz DHJFVCYMWJDBPX-JTQLQIEISA-N 1 0 388.295 2.930 20 0 GFADRO OC1(C[NH+]2CCOCC2)CCN(CCOc2c(Cl)cccc2Cl)CC1 ZINC000501055933 564969074 /nfs/dbraw/zinc/96/90/74/564969074.db2.gz XZWDBJWYNVHABN-UHFFFAOYSA-N 1 0 389.323 2.531 20 0 GFADRO CN(CCC[NH+]1CCCC1)C(=O)c1ccc(F)c(I)c1 ZINC000467666896 564969424 /nfs/dbraw/zinc/96/94/24/564969424.db2.gz JAZIWIDWXYOXJQ-UHFFFAOYSA-N 1 0 390.240 2.988 20 0 GFADRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1ccn(-c2cccc(Br)c2)n1 ZINC000467722262 564970166 /nfs/dbraw/zinc/97/01/66/564970166.db2.gz XUMDXUFDLMDLNQ-YVEFUNNKSA-N 1 0 389.297 2.847 20 0 GFADRO CN(C)S(=O)(=O)N1CCC[C@@H]([NH2+][C@@H]2CC[C@H](c3cccc(Cl)c3)C2)C1 ZINC000560897040 564979336 /nfs/dbraw/zinc/97/93/36/564979336.db2.gz SEODJVBVTARGNP-CGTJXYLNSA-N 1 0 385.961 2.837 20 0 GFADRO CS(=O)(=O)N1CCC[C@@H]([NH2+][C@@H]2CCc3c2cc(Br)cc3F)C1 ZINC000560897585 564979575 /nfs/dbraw/zinc/97/95/75/564979575.db2.gz HHRQYGVCRDUQLM-IAQYHMDHSA-N 1 0 391.306 2.589 20 0 GFADRO NC(=O)NC(=O)CCC[N@@H+]1CCCC[C@H]1Cc1ccccc1Br ZINC000561064421 564982704 /nfs/dbraw/zinc/98/27/04/564982704.db2.gz FLVGHWCSFMREEK-AWEZNQCLSA-N 1 0 382.302 2.821 20 0 GFADRO C[C@H]1CCC[N@H+](CCNC(=O)N2CCN(Cc3ccc(Cl)s3)CC2)C1 ZINC000501597036 564983199 /nfs/dbraw/zinc/98/31/99/564983199.db2.gz YVNOEMGAYRPVSF-HNNXBMFYSA-N 1 0 384.977 2.961 20 0 GFADRO Cn1ccnc1[C@H](NC(=O)C[N@H+](C)[C@H]1CCSC1)c1ccc(Cl)cc1 ZINC000534268734 564983337 /nfs/dbraw/zinc/98/33/37/564983337.db2.gz PHNZEUAFAHYIDB-DOTOQJQBSA-N 1 0 378.929 2.716 20 0 GFADRO CN(Cc1ccc(Cl)s1)C(=O)C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000501624774 564983612 /nfs/dbraw/zinc/98/36/12/564983612.db2.gz OTMRDMDTLARWDS-CQSZACIVSA-N 1 0 383.945 2.741 20 0 GFADRO O=C1C[C@H]([C@@H]2CCCC[N@H+]2C[C@H](O)COc2cc(Cl)ccc2Cl)CN1 ZINC000534279352 564984303 /nfs/dbraw/zinc/98/43/03/564984303.db2.gz ZUPPMUNVHOOQRK-NOLJZWGESA-N 1 0 387.307 2.724 20 0 GFADRO O=C1C[C@H]([C@@H]2CCCC[N@H+]2C[C@@H](O)COc2cc(Cl)ccc2Cl)CN1 ZINC000534279349 564984611 /nfs/dbraw/zinc/98/46/11/564984611.db2.gz ZUPPMUNVHOOQRK-BJJXKVORSA-N 1 0 387.307 2.724 20 0 GFADRO C[N@@H+]1CCN(Cc2nc(Cc3cccc(Br)c3)no2)C(C)(C)C1 ZINC000501770890 564985636 /nfs/dbraw/zinc/98/56/36/564985636.db2.gz DXFMFMSTDBCKBM-UHFFFAOYSA-N 1 0 379.302 2.949 20 0 GFADRO COCC[N@H+](CCN1CCO[C@H](C)C1)Cc1cc(Br)cs1 ZINC000501872169 564987295 /nfs/dbraw/zinc/98/72/95/564987295.db2.gz IWDBFDZQBCZJRP-CYBMUJFWSA-N 1 0 377.348 2.680 20 0 GFADRO C[NH+](C)CCOC1CCN(C(=O)Cc2ccc(Br)c(F)c2)CC1 ZINC000501995620 564989537 /nfs/dbraw/zinc/98/95/37/564989537.db2.gz RUBZOCAUYPWLPL-UHFFFAOYSA-N 1 0 387.293 2.700 20 0 GFADRO O=C([C@H]1CC(=O)Nc2ccc(Br)cc21)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000468754148 564992865 /nfs/dbraw/zinc/99/28/65/564992865.db2.gz AAJBNUTXFSXOPE-ZFWWWQNUSA-N 1 0 392.297 2.572 20 0 GFADRO CC[C@H](C)[N@H+](C)CCNC(=O)[C@@H]1CC(=O)Nc2ccc(Br)cc21 ZINC000468830217 564995498 /nfs/dbraw/zinc/99/54/98/564995498.db2.gz DCUMCJDMXQUKMI-SMDDNHRTSA-N 1 0 382.302 2.721 20 0 GFADRO COc1ccc([C@@H](C)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)c(Br)c1 ZINC000561469133 564996196 /nfs/dbraw/zinc/99/61/96/564996196.db2.gz ZYLNCESDWAWEKJ-KGLIPLIRSA-N 1 0 398.345 2.696 20 0 GFADRO C[C@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1c(F)cccc1OC(F)(F)F ZINC000561485641 564997300 /nfs/dbraw/zinc/99/73/00/564997300.db2.gz NQZNNIAJIMKGFB-NSHDSACASA-N 1 0 384.395 2.877 20 0 GFADRO CS(=O)(=O)N(CC[NH2+][C@@H]1CCCC[C@H]1OC(F)F)Cc1ccccc1 ZINC000502508950 565000316 /nfs/dbraw/zinc/00/03/16/565000316.db2.gz JXNSWIHWVSQVMT-HZPDHXFCSA-N 1 0 376.469 2.588 20 0 GFADRO CC[NH+]1CCN(CC(=O)N2CCC[C@@H]2c2cc(F)cc(Br)c2)CC1 ZINC000468979985 565001873 /nfs/dbraw/zinc/00/18/73/565001873.db2.gz LWOGLBUTHUSMKO-QGZVFWFLSA-N 1 0 398.320 2.889 20 0 GFADRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1S(=O)(=O)c1ccc(F)cc1Br ZINC000561553390 565002084 /nfs/dbraw/zinc/00/20/84/565002084.db2.gz QWLPXLYKHCSFIE-FZMZJTMJSA-N 1 0 391.306 2.836 20 0 GFADRO CC[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)N(C)CCC[NH+](C)C ZINC000561581538 565002965 /nfs/dbraw/zinc/00/29/65/565002965.db2.gz RVAGDHLSZLQPEW-OAHLLOKOSA-N 1 0 388.339 2.841 20 0 GFADRO C[C@H](CNC(=O)c1cn(-c2ccc(Br)cc2)cn1)[N@H+](C)C1CC1 ZINC000535161541 565006464 /nfs/dbraw/zinc/00/64/64/565006464.db2.gz IQAFGNXEBPQTRD-GFCCVEGCSA-N 1 0 377.286 2.847 20 0 GFADRO C[C@H](C[NH2+]Cc1cc(Br)cc(Br)c1)S(C)(=O)=O ZINC000561744988 565008234 /nfs/dbraw/zinc/00/82/34/565008234.db2.gz FHFNAQWMHLGFRO-MRVPVSSYSA-N 1 0 385.121 2.734 20 0 GFADRO COC(=O)CC[N@H+](CCc1cnn(C)c1)Cc1cccc(Br)c1 ZINC000502942612 565009331 /nfs/dbraw/zinc/00/93/31/565009331.db2.gz XCIBZRLDYPBHAH-UHFFFAOYSA-N 1 0 380.286 2.790 20 0 GFADRO Cn1c(C[NH2+]C[C@@H](O)COc2ccc(Br)cc2)nc2ccccc21 ZINC000561838690 565011362 /nfs/dbraw/zinc/01/13/62/565011362.db2.gz GFPJPOGCYUMPLL-CQSZACIVSA-N 1 0 390.281 2.865 20 0 GFADRO Cc1csc(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC3)C2)c1I ZINC000469307317 565012942 /nfs/dbraw/zinc/01/29/42/565012942.db2.gz CXTSAQASFCHUJI-LLVKDONJSA-N 1 0 390.290 2.970 20 0 GFADRO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N(CCO)Cc1cc(Br)ccc1F ZINC000535413274 565013261 /nfs/dbraw/zinc/01/32/61/565013261.db2.gz CJQCDGQVEVZOLF-BETUJISGSA-N 1 0 387.293 2.782 20 0 GFADRO CS[C@@H]1CN(C(=O)c2csc(Cc3ccccc3F)n2)C[C@H]1[NH+](C)C ZINC000535543126 565015718 /nfs/dbraw/zinc/01/57/18/565015718.db2.gz QDNGPLGYHMZUAN-HZPDHXFCSA-N 1 0 379.526 2.991 20 0 GFADRO CS[C@@H]1CN(S(=O)(=O)c2cc(C(F)(F)F)ccc2C)C[C@H]1[NH+](C)C ZINC000503244986 565016311 /nfs/dbraw/zinc/01/63/11/565016311.db2.gz UJRZHYXXDGFUNQ-CHWSQXEVSA-N 1 0 382.473 2.680 20 0 GFADRO CC[C@@H]1C[N@H+](C[C@@H](O)COc2ccc(Cl)cc2Br)C[C@@H]1O ZINC000535575056 565016598 /nfs/dbraw/zinc/01/65/98/565016598.db2.gz MBBRFTFWICBWHY-QKCSRTOESA-N 1 0 378.694 2.545 20 0 GFADRO CC1CCC([NH+]2CCN(C(=O)c3cc[nH]c(=O)c3Br)CC2)CC1 ZINC000469439791 565017690 /nfs/dbraw/zinc/01/76/90/565017690.db2.gz ALDPAPIXBFOCJT-UHFFFAOYSA-N 1 0 382.302 2.886 20 0 GFADRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cc3c(cc2Br)OCO3)[C@@]12CCCO2 ZINC000562078924 565017983 /nfs/dbraw/zinc/01/79/83/565017983.db2.gz DCKNQBKMLDJYES-ZACQAIPSSA-N 1 0 384.270 2.994 20 0 GFADRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cc3c(cc2Br)OCO3)[C@]12CCCO2 ZINC000562078919 565018176 /nfs/dbraw/zinc/01/81/76/565018176.db2.gz DCKNQBKMLDJYES-BRWVUGGUSA-N 1 0 384.270 2.994 20 0 GFADRO Brc1cncc(Br)c1C[NH2+][C@@H]1CCc2nc[nH]c2C1 ZINC000562208117 565020197 /nfs/dbraw/zinc/02/01/97/565020197.db2.gz QOBONLHGDVSZLQ-MRVPVSSYSA-N 1 0 386.091 2.977 20 0 GFADRO CCC[N@H+](CC)C[C@H](C)NC(=O)c1cc(Cn2cc(Br)cn2)on1 ZINC000562254286 565021970 /nfs/dbraw/zinc/02/19/70/565021970.db2.gz NEGASGANQSODPS-LBPRGKRZSA-N 1 0 398.305 2.532 20 0 GFADRO CC(C)[N@@H+]1CCO[C@@H](C(=O)NCCCOc2ccc(Cl)cc2Cl)C1 ZINC000469626258 565023316 /nfs/dbraw/zinc/02/33/16/565023316.db2.gz XDGCYKSCRCNIDL-MRXNPFEDSA-N 1 0 375.296 2.988 20 0 GFADRO C[C@@H]1C[NH+](C[C@@H](O)Cn2ccc(-c3ccc(Br)cc3)n2)C[C@@H](C)O1 ZINC000535877506 565023528 /nfs/dbraw/zinc/02/35/28/565023528.db2.gz VABCMRCXGMUJSO-CKEIUWERSA-N 1 0 394.313 2.783 20 0 GFADRO CC(C)[N@H+](C)CCNC(=O)C1(c2ccc(I)cc2)CC1 ZINC000503638789 565024893 /nfs/dbraw/zinc/02/48/93/565024893.db2.gz AZCPTPNLTGWODS-UHFFFAOYSA-N 1 0 386.277 2.779 20 0 GFADRO C[C@@H](NC(=O)NC1CC([NH+]2CCCCC2)C1)c1ncc(Br)cn1 ZINC000562396167 565027587 /nfs/dbraw/zinc/02/75/87/565027587.db2.gz NSNGTXSJIVNKRS-LMWSTFAQSA-N 1 0 382.306 2.616 20 0 GFADRO C[N@@H+]1CCCN(C(=O)[C@@H](c2cc(Cl)cc(Cl)c2)N2CCOCC2)CC1 ZINC000536085444 565028642 /nfs/dbraw/zinc/02/86/42/565028642.db2.gz MHTZLQWMBINJJA-QGZVFWFLSA-N 1 0 386.323 2.531 20 0 GFADRO COC(=O)[C@@H](c1cccc(Cl)c1Cl)N1CCC[N@@H+]([C@@H](C)CO)CC1 ZINC000469826402 565028721 /nfs/dbraw/zinc/02/87/21/565028721.db2.gz FKCRIRGKCITRBE-BLLLJJGKSA-N 1 0 375.296 2.596 20 0 GFADRO COCC[N@H+](C)CCNC(=O)N1CCC(c2cccc(Br)c2)CC1 ZINC000503899428 565030654 /nfs/dbraw/zinc/03/06/54/565030654.db2.gz DFXRMJKUSFMVFR-UHFFFAOYSA-N 1 0 398.345 2.916 20 0 GFADRO CCOc1c(Br)cc(CN2CC[C@@H](OC)C[C@H]2C[NH3+])cc1OC ZINC000469876590 565031106 /nfs/dbraw/zinc/03/11/06/565031106.db2.gz WNTRWMICUXFTKB-UONOGXRCSA-N 1 0 387.318 2.795 20 0 GFADRO O=C1c2ccccc2C(=O)N1CC[NH2+]CCOc1ncc(Cl)cc1Cl ZINC000562502052 565031607 /nfs/dbraw/zinc/03/16/07/565031607.db2.gz NQJSNQDRVJYBSJ-UHFFFAOYSA-N 1 0 380.231 2.653 20 0 GFADRO C[C@@H]1Cc2cc(S(=O)(=O)NCC3CC[NH+](C4CC4)CC3)cc(Cl)c2O1 ZINC000562546992 565033199 /nfs/dbraw/zinc/03/31/99/565033199.db2.gz DPHVEBKXKNNISG-GFCCVEGCSA-N 1 0 384.929 2.816 20 0 GFADRO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)Cc1cc[nH]c(=O)c1Br ZINC000562567667 565033897 /nfs/dbraw/zinc/03/38/97/565033897.db2.gz BPXXILMDSAMKEZ-AWEZNQCLSA-N 1 0 384.318 2.719 20 0 GFADRO O=S1(=O)CCO[C@H](C[NH2+][C@H]2CCCCc3ccc(Br)cc32)C1 ZINC000562562900 565033902 /nfs/dbraw/zinc/03/39/02/565033902.db2.gz SBFAAEGAHMMSQJ-ZBFHGGJFSA-N 1 0 388.327 2.620 20 0 GFADRO NC(=O)[C@@H](Cc1ccccc1)[NH2+][C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000562586299 565034392 /nfs/dbraw/zinc/03/43/92/565034392.db2.gz ZLIFDYUVGLJPBI-SJLPKXTDSA-N 1 0 388.309 2.714 20 0 GFADRO CC[NH+]1CCC(CNC(=O)[C@@H]2CC(=O)Nc3ccc(Br)cc32)CC1 ZINC000562580794 565034688 /nfs/dbraw/zinc/03/46/88/565034688.db2.gz KVCGQOIEOCQDOS-OAHLLOKOSA-N 1 0 394.313 2.723 20 0 GFADRO C[C@@H](CNC(=O)N[C@@H](CO)c1ccc(Br)cc1)C[NH+]1CCCCC1 ZINC000504089733 565034785 /nfs/dbraw/zinc/03/47/85/565034785.db2.gz XEORGNXXRZRVCG-YOEHRIQHSA-N 1 0 398.345 2.904 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)CCC[N@H+]1C[C@H](C)O[C@H](CO)C1 ZINC000470005289 565034751 /nfs/dbraw/zinc/03/47/51/565034751.db2.gz XEPOSZHCRVKCIB-HOCLYGCPSA-N 1 0 399.329 2.866 20 0 GFADRO COC(=O)[C@@]1(C)CC[N@@H+]([C@@H](C)C(=O)Nc2ccc(Br)c(C)c2)C1 ZINC000470012192 565035748 /nfs/dbraw/zinc/03/57/48/565035748.db2.gz FJEAOJUAPFCGNA-SJCJKPOMSA-N 1 0 383.286 2.970 20 0 GFADRO CCCOc1ccc(Br)cc1CN1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000470024118 565035843 /nfs/dbraw/zinc/03/58/43/565035843.db2.gz INHPZFVHWWVFRD-CQSZACIVSA-N 1 0 398.345 2.525 20 0 GFADRO C[C@@H]1C[N@H+](CCCNC(=O)c2[nH]nc3ccc(Br)cc32)CCCO1 ZINC000470087027 565038315 /nfs/dbraw/zinc/03/83/15/565038315.db2.gz OYEXAXAUDVDWOI-GFCCVEGCSA-N 1 0 395.301 2.556 20 0 GFADRO Cc1cc(Br)c(C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)s1 ZINC000562653004 565038352 /nfs/dbraw/zinc/03/83/52/565038352.db2.gz WPYOECWKJSOLSA-UHFFFAOYSA-N 1 0 383.315 3.535 20 0 GFADRO C[N@@H+]1CCC[C@H](CCNC(=O)C[C@H]2Sc3ccc(Cl)cc3NC2=O)C1 ZINC000562660845 565038548 /nfs/dbraw/zinc/03/85/48/565038548.db2.gz RBVRWXBDKBISNY-MLGOLLRUSA-N 1 0 381.929 2.991 20 0 GFADRO C[C@@H](Cn1cc(Br)cn1)[NH2+][C@@H](CC(=O)N(C)C)c1ccccc1 ZINC000470173424 565040642 /nfs/dbraw/zinc/04/06/42/565040642.db2.gz LIXVQWBGBISXOA-BBRMVZONSA-N 1 0 379.302 2.843 20 0 GFADRO COc1nc(C)c(Br)cc1C(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000470178611 565040934 /nfs/dbraw/zinc/04/09/34/565040934.db2.gz LKRJIIWQUMNQNS-CYBMUJFWSA-N 1 0 382.302 2.908 20 0 GFADRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+]Cc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000536552579 565041091 /nfs/dbraw/zinc/04/10/91/565041091.db2.gz AHFBDKMLIWAVRV-ZIAGYGMSSA-N 1 0 377.286 2.844 20 0 GFADRO C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+][C@@H]1CCC[C@@H]1CNS(C)(=O)=O ZINC000504560538 565041128 /nfs/dbraw/zinc/04/11/28/565041128.db2.gz HLSRNCLEYBRWRL-XNRPHZJLSA-N 1 0 378.460 2.944 20 0 GFADRO C[C@@]1(C[NH3+])CCN(C(=O)Nc2ccc(-c3ccc(Br)s3)nn2)C1 ZINC000562761827 565041433 /nfs/dbraw/zinc/04/14/33/565041433.db2.gz KTWNSYKPZYHOFO-HNNXBMFYSA-N 1 0 396.314 3.170 20 0 GFADRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)[C@@H]1CCN(c2cc(Cl)ccc2Cl)C1=O ZINC000536598041 565041858 /nfs/dbraw/zinc/04/18/58/565041858.db2.gz LQODUJBQAZVSQB-BZPMIXESSA-N 1 0 384.307 2.897 20 0 GFADRO C[C@H](Cc1ccccc1C(F)(F)F)[NH2+][C@@H]1CCC[C@H]1CNS(C)(=O)=O ZINC000504574576 565042150 /nfs/dbraw/zinc/04/21/50/565042150.db2.gz GAJJBLKKNYLHLU-IVMMDQJWSA-N 1 0 378.460 2.944 20 0 GFADRO COC1CC[NH+](C(C)(C)CNC(=O)c2ccc(Br)cc2N)CC1 ZINC000470299088 565042474 /nfs/dbraw/zinc/04/24/74/565042474.db2.gz UUNXAOCZBOMRHM-UHFFFAOYSA-N 1 0 384.318 2.651 20 0 GFADRO O=C(NC[C@@H](O)COc1cccc(Cl)c1Cl)c1ccc2c(c1)C[NH2+]C2 ZINC000470370474 565043711 /nfs/dbraw/zinc/04/37/11/565043711.db2.gz YSTYJZZMUCVHTF-CQSZACIVSA-N 1 0 381.259 2.766 20 0 GFADRO [NH3+]Cc1cn([C@@H]2CCCN(C(=O)NCc3cc(Cl)sc3Cl)C2)nn1 ZINC000562808237 565044120 /nfs/dbraw/zinc/04/41/20/565044120.db2.gz XHFAGYZDEMCXEU-LLVKDONJSA-N 1 0 389.312 2.652 20 0 GFADRO Cc1cccc(S(=O)(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)c1Br ZINC000562840537 565044643 /nfs/dbraw/zinc/04/46/43/565044643.db2.gz ARDQGXOACUODET-LSDHHAIUSA-N 1 0 395.322 2.791 20 0 GFADRO CN(C)C(=O)CC[NH2+][C@H]1CCCOc2ccc(I)cc21 ZINC000536858991 565048257 /nfs/dbraw/zinc/04/82/57/565048257.db2.gz QBUKNVZGMCELBM-ZDUSSCGKSA-N 1 0 388.249 2.573 20 0 GFADRO C[C@H]([NH2+][C@@H]1CC(=O)N([C@@H]2C[C@H]2C)C1)c1ccc(I)cc1 ZINC000536879903 565048388 /nfs/dbraw/zinc/04/83/88/565048388.db2.gz WAPNAELAPSBXLO-BAESOJJISA-N 1 0 384.261 2.951 20 0 GFADRO C[C@@H]1C[N@H+](C)CCN1c1ccc(Br)cc1NC(=O)[C@@H](O)C1CCC1 ZINC000562937111 565048588 /nfs/dbraw/zinc/04/85/88/565048588.db2.gz ZLSWTYDPVCKNKC-PXAZEXFGSA-N 1 0 396.329 2.689 20 0 GFADRO C[C@H]([NH2+][C@H]1CCC[C@H](S(C)(=O)=O)C1)c1ccc(-n2cncn2)cc1Cl ZINC000536879188 565048592 /nfs/dbraw/zinc/04/85/92/565048592.db2.gz VFFYCGVNFYCIHO-YDHLFZDLSA-N 1 0 382.917 2.927 20 0 GFADRO C[C@@H](Cc1ccc(Br)cc1)NC(=O)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000562957542 565049345 /nfs/dbraw/zinc/04/93/45/565049345.db2.gz BJFQEXMPGKLRPJ-SUMWQHHRSA-N 1 0 391.313 2.931 20 0 GFADRO COCCC[N@H+](C)CCNC(=O)N1CCc2cc(Br)cc(C)c2C1 ZINC000537026598 565051688 /nfs/dbraw/zinc/05/16/88/565051688.db2.gz MREJCOYTSIAHDW-UHFFFAOYSA-N 1 0 398.345 2.794 20 0 GFADRO CC[NH+](CC)C[C@@H](C)NC(=O)Nc1ccc(S(C)(=O)=O)c(C(F)F)c1 ZINC000537234876 565055787 /nfs/dbraw/zinc/05/57/87/565055787.db2.gz DHQASEWRUAVYIW-LLVKDONJSA-N 1 0 377.457 2.880 20 0 GFADRO COC(=O)c1ccc(CNC(=O)[C@](C)([NH3+])c2ccc(Br)cc2)s1 ZINC000563100192 565055876 /nfs/dbraw/zinc/05/58/76/565055876.db2.gz UGBOKKAROXTCTA-MRXNPFEDSA-N 1 0 397.294 2.788 20 0 GFADRO C[NH2+][C@H](C(=O)N(C)Cc1ccc(Br)cc1Cl)c1cnn(C)c1 ZINC000563098608 565055919 /nfs/dbraw/zinc/05/59/19/565055919.db2.gz YUESXBFFTBMNIV-AWEZNQCLSA-N 1 0 385.693 2.755 20 0 GFADRO C[C@@H]([NH3+])[C@@H](C)NC(=O)c1cccn1-c1cccc(I)c1 ZINC000563119056 565056445 /nfs/dbraw/zinc/05/64/45/565056445.db2.gz MRXSWBRHSCOIEZ-GHMZBOCLSA-N 1 0 383.233 2.547 20 0 GFADRO CCOCC[NH+]1CCN(Cc2cc3c(cc2Br)OCCCO3)CC1 ZINC000537514825 565059161 /nfs/dbraw/zinc/05/91/61/565059161.db2.gz XELYDSQMENZRKF-UHFFFAOYSA-N 1 0 399.329 2.765 20 0 GFADRO C[C@@H]1[C@H](C)N(C(=O)[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)CC[N@H+]1C ZINC000537815002 565063538 /nfs/dbraw/zinc/06/35/38/565063538.db2.gz DZGWGNKKMXWIPG-MBNYWOFBSA-N 1 0 384.307 2.897 20 0 GFADRO CSc1ccc(OC[C@@H](O)C[NH2+]Cc2ccc(C[S@@](C)=O)cc2)cc1 ZINC000584347073 565076690 /nfs/dbraw/zinc/07/66/90/565076690.db2.gz YUVMILDTOSTBNJ-SSOJOUAXSA-N 1 0 379.547 2.817 20 0 GFADRO CCCC[N@H+](C)C[C@@H](C)NC(=O)C(=O)Nc1cccc(Br)c1C ZINC000584344224 565076797 /nfs/dbraw/zinc/07/67/97/565076797.db2.gz XXHXJCNICOSLKJ-GFCCVEGCSA-N 1 0 384.318 2.933 20 0 GFADRO C[C@H](NC[C@@H](O)C[N@H+](C)Cc1ccccc1)c1ccc(Br)cn1 ZINC000684622354 565076886 /nfs/dbraw/zinc/07/68/86/565076886.db2.gz PYQVSSMHJUQJSG-WMLDXEAASA-N 1 0 378.314 2.988 20 0 GFADRO O=C(NC[C@H](CO)Cc1ccccc1Br)C12CCC[NH+](CCC1)C2 ZINC000635853125 565077808 /nfs/dbraw/zinc/07/78/08/565077808.db2.gz FCNMXBWZFDNILM-OAHLLOKOSA-N 1 0 395.341 2.592 20 0 GFADRO C[NH+]1CC2(C1)CCN(C(=O)c1cc(-c3cccc(Br)c3)no1)C2 ZINC000614033441 565091669 /nfs/dbraw/zinc/09/16/69/565091669.db2.gz KPXNQAVLDQMICM-UHFFFAOYSA-N 1 0 376.254 2.882 20 0 GFADRO C[NH+](C)[C@H]1C[C@@H](NC(=O)[C@@H]2CCO[C@H]2c2cncc(Br)c2)C1(C)C ZINC000636123600 565091675 /nfs/dbraw/zinc/09/16/75/565091675.db2.gz XMWCMWMSJTYJPX-WCVJEAGWSA-N 1 0 396.329 2.767 20 0 GFADRO C[NH+](C)CC1(NC(=O)[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)CCC1 ZINC000684989524 565092541 /nfs/dbraw/zinc/09/25/41/565092541.db2.gz MMKOKLJETPCEEO-ZDUSSCGKSA-N 1 0 384.307 2.947 20 0 GFADRO C[NH+](C)C[C@@]1(O)CCCN(C(=O)Cc2c(Cl)cccc2Br)C1 ZINC000614070752 565093879 /nfs/dbraw/zinc/09/38/79/565093879.db2.gz LETMZCJWSMRODY-INIZCTEOSA-N 1 0 389.721 2.560 20 0 GFADRO Cc1c(Br)cncc1C[NH2+]Cc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000657313177 565095936 /nfs/dbraw/zinc/09/59/36/565095936.db2.gz HHWZXYYZYADMDZ-UHFFFAOYSA-N 1 0 398.326 2.693 20 0 GFADRO C[N@@H+]1CCN(CCNC(=O)[C@@H]2CCc3cc(Br)ccc32)CC1(C)C ZINC000584781453 565097453 /nfs/dbraw/zinc/09/74/53/565097453.db2.gz NKZDHSSIFGISIZ-QGZVFWFLSA-N 1 0 394.357 2.621 20 0 GFADRO OC[C@H]([NH2+]Cc1cc(Br)ccc1OC(F)F)C1CCOCC1 ZINC000584861049 565101420 /nfs/dbraw/zinc/10/14/20/565101420.db2.gz ZJCYEDZTMUZXPR-ZDUSSCGKSA-N 1 0 380.229 2.928 20 0 GFADRO Cc1nc2ccc(Br)cn2c1C(=O)NCC12CCC[NH+]1CCC2 ZINC000614225254 565102754 /nfs/dbraw/zinc/10/27/54/565102754.db2.gz JUNLHBAVJYNGPK-UHFFFAOYSA-N 1 0 377.286 2.763 20 0 GFADRO Cc1c(F)c(Br)ccc1NC(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000657534087 565107703 /nfs/dbraw/zinc/10/77/03/565107703.db2.gz DVIZUFODKJXYQL-UONOGXRCSA-N 1 0 398.276 2.578 20 0 GFADRO CCOc1c(Br)cc(C[NH2+]C[C@H](OC)[C@H]2CCOC2)cc1OC ZINC000657546064 565107904 /nfs/dbraw/zinc/10/79/04/565107904.db2.gz YHGYIQZBMOUHGY-BBRMVZONSA-N 1 0 388.302 2.998 20 0 GFADRO O=C(NCC[NH2+][C@@H]1CCC[C@@H]([C@H]2CCOC2)C1)c1ccc(Br)cn1 ZINC000657564697 565108716 /nfs/dbraw/zinc/10/87/16/565108716.db2.gz VSSCPVVQGWLJHI-IJEWVQPXSA-N 1 0 396.329 2.759 20 0 GFADRO C[C@H]1CC[C@@H]([NH2+]C2CCN(Cc3c(F)cccc3Cl)CC2)CS1(=O)=O ZINC000657638967 565115295 /nfs/dbraw/zinc/11/52/95/565115295.db2.gz NZLAFZKYNQBEIJ-DZGCQCFKSA-N 1 0 388.936 2.999 20 0 GFADRO C[NH+](C)C[C@H](NC(=O)C(=O)NCc1ccoc1)c1ccc(Cl)c(Cl)c1 ZINC000636555319 565116107 /nfs/dbraw/zinc/11/61/07/565116107.db2.gz RDQFANHKQJEMCJ-HNNXBMFYSA-N 1 0 384.263 2.622 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+]C[C@@H]2C[C@H](c3ccccc3)CO2)cc1Cl ZINC000657656638 565116470 /nfs/dbraw/zinc/11/64/70/565116470.db2.gz QRTQAVBMYBVDOC-HOTGVXAUSA-N 1 0 380.897 2.650 20 0 GFADRO CC(C)[C@H](O)[C@@H]([NH2+]Cc1ccc(S(N)(=O)=O)c(Cl)c1)c1ccccc1 ZINC000657749076 565125722 /nfs/dbraw/zinc/12/57/22/565125722.db2.gz XYNURCBDFJBEQZ-ROUUACIJSA-N 1 0 382.913 2.835 20 0 GFADRO CN(C)CC[N@H+](C)CCCN(C)C(=O)c1c[nH]c2ccc(Br)cc12 ZINC000685861453 565127647 /nfs/dbraw/zinc/12/76/47/565127647.db2.gz YIRNTQXWQRYOJP-UHFFFAOYSA-N 1 0 395.345 2.886 20 0 GFADRO CC(C)(C[NH2+]Cc1cc2c(c(Br)c1)OCO2)[C@@]1(O)CCCOC1 ZINC000657768901 565128460 /nfs/dbraw/zinc/12/84/60/565128460.db2.gz ZOSHJSNCBKDBFI-QGZVFWFLSA-N 1 0 386.286 2.835 20 0 GFADRO COc1cc(C[NH2+]CC(C)(C)[C@@]2(O)CCCOC2)cc(Br)c1O ZINC000657765840 565128614 /nfs/dbraw/zinc/12/86/14/565128614.db2.gz JPZCNHSSMBZCBR-QGZVFWFLSA-N 1 0 388.302 2.821 20 0 GFADRO O=C(NC[C@H]1CCCC[NH2+]1)N1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000636874132 565128644 /nfs/dbraw/zinc/12/86/44/565128644.db2.gz QPAQHTBCNFSTEA-HZPDHXFCSA-N 1 0 382.302 2.674 20 0 GFADRO C[C@H]([NH2+]Cc1ccc(S(=O)(=O)N2CCOCC2)s1)C(C)(C)C(F)F ZINC000657836143 565132160 /nfs/dbraw/zinc/13/21/60/565132160.db2.gz SALAVMDUNLYVSQ-NSHDSACASA-N 1 0 382.498 2.538 20 0 GFADRO O=C(NC[C@H]1CCCC[NH2+]1)N[C@H](CO)c1ccc(Cl)cc1C(F)(F)F ZINC000636988470 565133979 /nfs/dbraw/zinc/13/39/79/565133979.db2.gz JUVLMCYCDLNTNY-BXUZGUMPSA-N 1 0 379.810 2.834 20 0 GFADRO C[C@@H]([NH2+]C[C@@H](O)CS(=O)(=O)c1cccs1)c1ccc(C(F)F)nc1 ZINC000657928723 565136934 /nfs/dbraw/zinc/13/69/34/565136934.db2.gz BMOMASZTVHDUPP-ZYHUDNBSSA-N 1 0 376.450 2.566 20 0 GFADRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)CCSc2ccc(Cl)cc2)C1 ZINC000588744851 565137873 /nfs/dbraw/zinc/13/78/73/565137873.db2.gz CUFGAKIHVDCDCI-CQSZACIVSA-N 1 0 383.945 2.526 20 0 GFADRO C[C@H]1COCC[N@@H+]1C1CCN(C(=O)c2ccc(F)c(Br)c2)CC1 ZINC000615090871 565145063 /nfs/dbraw/zinc/14/50/63/565145063.db2.gz WPQGGKNRTOHJQW-LBPRGKRZSA-N 1 0 385.277 2.914 20 0 GFADRO Cc1nnc(CCNC(=O)N[C@H]2CCN(C)[C@H]2c2ccc(Cl)cc2)s1 ZINC000637227800 565145991 /nfs/dbraw/zinc/14/59/91/565145991.db2.gz JKGRHPQQVJHLOP-HOCLYGCPSA-N 1 0 379.917 2.787 20 0 GFADRO COc1ccc(C[C@@H](CO)C[NH2+][C@H]2CCCn3nccc32)cc1Br ZINC000658029668 565146965 /nfs/dbraw/zinc/14/69/65/565146965.db2.gz SFNZMAASLGFMDW-ZBFHGGJFSA-N 1 0 394.313 2.930 20 0 GFADRO C[C@@H]([NH2+]CCC1(CS(C)(=O)=O)CC1)c1ncc(Br)cc1F ZINC000658081808 565149490 /nfs/dbraw/zinc/14/94/90/565149490.db2.gz UDMQPPNVIWEJRP-SNVBAGLBSA-N 1 0 379.295 2.849 20 0 GFADRO Cc1c(Br)cccc1NC(=O)C(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000658119914 565150131 /nfs/dbraw/zinc/15/01/31/565150131.db2.gz NXPIOGYAHNXEDF-ZDUSSCGKSA-N 1 0 396.329 2.933 20 0 GFADRO COC1([C@@H](C)[NH2+]CCNC(=O)c2ccc(Br)cn2)CCCCC1 ZINC000658097704 565150226 /nfs/dbraw/zinc/15/02/26/565150226.db2.gz YYTPDOSNNAEEEZ-CYBMUJFWSA-N 1 0 384.318 2.901 20 0 GFADRO COc1ncc(Br)cc1CNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000637404497 565154051 /nfs/dbraw/zinc/15/40/51/565154051.db2.gz FANIBBSUIURRNJ-YIONKMFJSA-N 1 0 397.317 2.619 20 0 GFADRO C[N@@H+]1CCC[C@@H]1[C@H]1COCCN1C(=O)[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000615273345 565155275 /nfs/dbraw/zinc/15/52/75/565155275.db2.gz BUAGZIOSAOMKPR-BSDSXHPESA-N 1 0 393.325 2.874 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2cc(Br)cnc2OC)C[C@H]1C ZINC000637407131 565155342 /nfs/dbraw/zinc/15/53/42/565155342.db2.gz SSWISNNKVPXAKK-DOMZBBRYSA-N 1 0 399.333 2.867 20 0 GFADRO COc1ncc(Br)cc1CNC(=O)N1CCC[C@H]([NH2+]C(C)C)C1 ZINC000637407292 565155444 /nfs/dbraw/zinc/15/54/44/565155444.db2.gz XHPKMHNEKFAEDA-AWEZNQCLSA-N 1 0 385.306 2.525 20 0 GFADRO COc1ncc(Br)cc1CNC(=O)N1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000637407294 565155511 /nfs/dbraw/zinc/15/55/11/565155511.db2.gz XHPKMHNEKFAEDA-CQSZACIVSA-N 1 0 385.306 2.525 20 0 GFADRO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1ccn(-c2ccc(Br)cc2)n1 ZINC000615302810 565156581 /nfs/dbraw/zinc/15/65/81/565156581.db2.gz OQDMNQIELPCGTP-WBMJQRKESA-N 1 0 377.286 2.799 20 0 GFADRO C[NH+](C)C[C@H](NC(=O)N1CC[C@](C)(C(N)=O)C1)c1ccc(Cl)c(Cl)c1 ZINC000637472696 565159036 /nfs/dbraw/zinc/15/90/36/565159036.db2.gz HGAWFQOQAWSQCI-YOEHRIQHSA-N 1 0 387.311 2.503 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C(=O)N1CC(C[NH+](C)C)C1 ZINC000615503590 565162632 /nfs/dbraw/zinc/16/26/32/565162632.db2.gz KCLVRENZVGQJMB-UHFFFAOYSA-N 1 0 377.286 2.577 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H]2CN(S(=O)(=O)c3cc(Cl)ccc3OC(F)(F)F)C[C@H]21 ZINC000658376070 565163634 /nfs/dbraw/zinc/16/36/34/565163634.db2.gz PYZPDJHTCQBMLR-YUSALJHKSA-N 1 0 398.834 2.987 20 0 GFADRO O=S(=O)(c1cc(Cl)ccc1OC(F)(F)F)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000658374267 565163983 /nfs/dbraw/zinc/16/39/83/565163983.db2.gz LWTMKZPRYLKMIP-ONGXEEELSA-N 1 0 384.807 2.611 20 0 GFADRO [NH3+][C@H]1CCCO[C@H]1C1CCN(S(=O)(=O)Cc2cc(F)ccc2Cl)CC1 ZINC000658382480 565165890 /nfs/dbraw/zinc/16/58/90/565165890.db2.gz LZTRDTIUZNIWQH-IRXDYDNUSA-N 1 0 390.908 2.527 20 0 GFADRO C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1COc3ccc(Br)cc31)C2 ZINC000615610351 565167614 /nfs/dbraw/zinc/16/76/14/565167614.db2.gz XSMVSJAQIMDUJC-CRAIPNDOSA-N 1 0 379.298 2.869 20 0 GFADRO O=S(=O)(N[C@@H]1CC[NH2+]C2(CCC2)C1)c1cc(F)ccc1Br ZINC000658401613 565168247 /nfs/dbraw/zinc/16/82/47/565168247.db2.gz GYGXPMDZKAZQOB-LLVKDONJSA-N 1 0 377.279 2.541 20 0 GFADRO CN(CC1C[NH+](C)C1)C(=O)C(=O)Nc1ccc(Br)c2ccccc12 ZINC000658540265 565175124 /nfs/dbraw/zinc/17/51/24/565175124.db2.gz SWXARJBYXFVXHJ-UHFFFAOYSA-N 1 0 390.281 2.561 20 0 GFADRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)NCc1ccc(Cl)c(Cl)c1 ZINC000658516570 565175747 /nfs/dbraw/zinc/17/57/47/565175747.db2.gz YWHXWOFIHNBUHN-GFCCVEGCSA-N 1 0 386.323 2.798 20 0 GFADRO CO[C@H](C[N@H+](CCO)Cc1cc(Br)ccc1F)C1CCOCC1 ZINC000637994212 565180131 /nfs/dbraw/zinc/18/01/31/565180131.db2.gz RIHZRVACYAMYKO-QGZVFWFLSA-N 1 0 390.293 2.824 20 0 GFADRO C[N@@H+](Cc1ccc(S(N)(=O)=O)s1)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000637992512 565180595 /nfs/dbraw/zinc/18/05/95/565180595.db2.gz RWOUMFSKLPSFTM-MAUKXSAKSA-N 1 0 380.535 2.995 20 0 GFADRO O=C(Nc1ccc(Br)cc1)C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000658646942 565181780 /nfs/dbraw/zinc/18/17/80/565181780.db2.gz GHMQDVKMDSHGGU-OAHLLOKOSA-N 1 0 394.313 2.911 20 0 GFADRO CO[C@]1(C[NH+]2CCC(C(=O)Nc3ccccc3Br)CC2)CCOC1 ZINC000638013402 565181745 /nfs/dbraw/zinc/18/17/45/565181745.db2.gz CFPODKXAEQXABF-SFHVURJKSA-N 1 0 397.313 2.905 20 0 GFADRO NS(=O)(=O)c1ccc(CN2CC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)o1 ZINC000638155759 565186584 /nfs/dbraw/zinc/18/65/84/565186584.db2.gz YXOKJEOAJGVGPO-GFCCVEGCSA-N 1 0 391.276 2.887 20 0 GFADRO O=C(c1ccc2cncc(Br)c2n1)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000638262236 565190015 /nfs/dbraw/zinc/19/00/15/565190015.db2.gz KSHBSCWYHXQDRR-TZMCWYRMSA-N 1 0 389.297 2.854 20 0 GFADRO O=C(c1ccc2cncc(Br)c2n1)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000638262235 565190103 /nfs/dbraw/zinc/19/01/03/565190103.db2.gz KSHBSCWYHXQDRR-OCCSQVGLSA-N 1 0 389.297 2.854 20 0 GFADRO [NH3+]Cc1ncc(C(=O)N2CCC(c3ccc(Br)cc3)CC2)cn1 ZINC000638302414 565190899 /nfs/dbraw/zinc/19/08/99/565190899.db2.gz YDMZKZCTNZOGTJ-UHFFFAOYSA-N 1 0 375.270 2.718 20 0 GFADRO [NH3+]Cc1ncc(C(=O)N[C@@H]2CCCN(c3ccc(Cl)cc3Cl)C2)cn1 ZINC000638295506 565191166 /nfs/dbraw/zinc/19/11/66/565191166.db2.gz VHYOXCGTKHMTQE-CYBMUJFWSA-N 1 0 380.279 2.641 20 0 GFADRO COc1cccc(C[C@@H]([NH3+])C(=O)N2CCc3cc(Br)ccc3C2)c1 ZINC000638298112 565191291 /nfs/dbraw/zinc/19/12/91/565191291.db2.gz DYFROYNIRXBVMM-GOSISDBHSA-N 1 0 389.293 2.912 20 0 GFADRO C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1c(F)cccc1I ZINC000590566176 565191752 /nfs/dbraw/zinc/19/17/52/565191752.db2.gz GBYBLNIZWVXNHB-CABZTGNLSA-N 1 0 376.213 2.595 20 0 GFADRO C[C@H](Cc1ccc(Br)cc1)[NH2+]Cc1ccc(S(N)(=O)=O)s1 ZINC000638371031 565193546 /nfs/dbraw/zinc/19/35/46/565193546.db2.gz OMJWVOXSVSGDOE-SNVBAGLBSA-N 1 0 389.340 2.879 20 0 GFADRO COc1cc(C(=O)N2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)ccc1Br ZINC000638384067 565193757 /nfs/dbraw/zinc/19/37/57/565193757.db2.gz MMSBIRMBEUBXFT-OFQRWUPVSA-N 1 0 397.313 2.816 20 0 GFADRO O=C(N[C@H]1CC[NH2+]C2(CCC2)C1)c1ccc2cncc(Br)c2n1 ZINC000638370578 565194131 /nfs/dbraw/zinc/19/41/31/565194131.db2.gz ZZGSRQFUMLCFEL-LBPRGKRZSA-N 1 0 375.270 2.797 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)C[NH2+][C@@H](C)C[C@@H]1CCCC(=O)N1 ZINC000638444610 565196462 /nfs/dbraw/zinc/19/64/62/565196462.db2.gz HIOZNOPWOANZQA-JSGCOSHPSA-N 1 0 382.302 2.733 20 0 GFADRO CSc1ccc(NC(=O)c2cn(CCCC[NH3+])nn2)cc1Br ZINC000638467896 565198439 /nfs/dbraw/zinc/19/84/39/565198439.db2.gz PHXOJKNLHGTORJ-UHFFFAOYSA-N 1 0 384.303 2.754 20 0 GFADRO C[NH2+]C[C@H](C)NC(=O)Nc1ccc(CCn2cc(Br)cn2)cc1 ZINC000658996294 565198478 /nfs/dbraw/zinc/19/84/78/565198478.db2.gz IILMIQXQBWQGQO-LBPRGKRZSA-N 1 0 380.290 2.618 20 0 GFADRO O=C(N[C@H]1CC[NH2+]C12CCC2)c1ccn(-c2cccc(Br)c2)n1 ZINC000638501925 565198902 /nfs/dbraw/zinc/19/89/02/565198902.db2.gz HYAAFZNYXDKLDP-HNNXBMFYSA-N 1 0 375.270 2.649 20 0 GFADRO CN1CC[C@H]([NH2+]C[C@H](O)COCC2CC2)C[C@H]1c1ccc(Br)cc1 ZINC000638495014 565199274 /nfs/dbraw/zinc/19/92/74/565199274.db2.gz CQOZOUCYLMNNGB-FHWLQOOXSA-N 1 0 397.357 2.962 20 0 GFADRO C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)Nc1ccc(F)c(Br)c1F ZINC000659048004 565199269 /nfs/dbraw/zinc/19/92/69/565199269.db2.gz LFMXGFLZVOQPSF-XVKPBYJWSA-N 1 0 378.217 2.962 20 0 GFADRO C[C@H](NC(=O)[C@@]1(C[NH3+])CCCOC1)c1cc(F)c(Br)cc1F ZINC000638494930 565199471 /nfs/dbraw/zinc/19/94/71/565199471.db2.gz KDPVTHNLVSTYQF-BJOHPYRUSA-N 1 0 377.229 2.660 20 0 GFADRO Cc1cc(SCC(=O)NCC2([NH3+])CCOCC2)c(C)cc1Br ZINC000638534718 565200269 /nfs/dbraw/zinc/20/02/69/565200269.db2.gz GITPCHQBVUAUHG-UHFFFAOYSA-N 1 0 387.343 2.782 20 0 GFADRO COc1cc(Br)ccc1[C@@H]1CCCN1C(=O)[C@@H]([NH3+])COC(C)C ZINC000638530848 565200679 /nfs/dbraw/zinc/20/06/79/565200679.db2.gz XSUUIMGELZGKSA-GJZGRUSLSA-N 1 0 385.302 2.874 20 0 GFADRO Cc1cc(Br)c(Cl)cc1NC(=O)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000659086600 565201562 /nfs/dbraw/zinc/20/15/62/565201562.db2.gz YMEGXZCBFGDSDN-SNVBAGLBSA-N 1 0 388.693 2.608 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)COc2ccc(Br)cc2)CC[C@H]1C(F)(F)F ZINC000638547766 565201638 /nfs/dbraw/zinc/20/16/38/565201638.db2.gz KJWJPGSHEZQWDS-GXFFZTMASA-N 1 0 395.219 2.814 20 0 GFADRO Cc1cc(Br)cc(Cl)c1NC(=O)C(=O)NCC1([NH3+])CCCC1 ZINC000659100378 565201642 /nfs/dbraw/zinc/20/16/42/565201642.db2.gz RFLKLZLKFSNKAO-UHFFFAOYSA-N 1 0 388.693 2.737 20 0 GFADRO CCCN(C(=O)c1cc(Br)cc2c1OCCO2)[C@@H]1CC[N@H+](C)C1 ZINC000616468454 565203388 /nfs/dbraw/zinc/20/33/88/565203388.db2.gz YWOACIZTFHVIRH-CYBMUJFWSA-N 1 0 383.286 2.777 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)c2cc(Br)ccc2O)CC[C@@H]1C(F)(F)F ZINC000638560920 565203452 /nfs/dbraw/zinc/20/34/52/565203452.db2.gz VRXARDYPXXZWJL-KCJUWKMLSA-N 1 0 381.192 2.754 20 0 GFADRO Oc1ccc2c(c1)CC[N@H+](C[C@@H](O)COc1ccc(Br)cc1)CC2 ZINC000590785487 565204032 /nfs/dbraw/zinc/20/40/32/565204032.db2.gz UTVYVLZDGSETHP-GOSISDBHSA-N 1 0 392.293 2.995 20 0 GFADRO [NH3+]C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC000638594989 565204655 /nfs/dbraw/zinc/20/46/55/565204655.db2.gz CXRZALKHUKOPMZ-WQVCFCJDSA-N 1 0 392.297 2.788 20 0 GFADRO Cc1cc(F)ccc1N1CCC[C@H]([NH2+]Cc2ccc(S(N)(=O)=O)s2)C1 ZINC000638617033 565205229 /nfs/dbraw/zinc/20/52/29/565205229.db2.gz RVUUIXSJRITBFK-AWEZNQCLSA-N 1 0 383.514 2.602 20 0 GFADRO CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+]Cc2c(C(F)(F)F)nc3n2CCCC3)C1 ZINC000638659228 565205898 /nfs/dbraw/zinc/20/58/98/565205898.db2.gz AERWOCYXRJCZFI-NWDGAFQWSA-N 1 0 379.448 2.684 20 0 GFADRO CCSc1ccc(CC(=O)NC2(C[NH3+])CCOCC2)c(Br)c1 ZINC000638631649 565206105 /nfs/dbraw/zinc/20/61/05/565206105.db2.gz KRAPXGSQKPQUDA-UHFFFAOYSA-N 1 0 387.343 2.728 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+]C2(c3cccc(Br)c3)CC2)cc1 ZINC000638681068 565207089 /nfs/dbraw/zinc/20/70/89/565207089.db2.gz JEGAOCHPSJJNRA-UHFFFAOYSA-N 1 0 381.295 2.875 20 0 GFADRO CCSc1ccc(CC(=O)NCCOCCC[NH3+])c(Br)c1 ZINC000638662465 565207156 /nfs/dbraw/zinc/20/71/56/565207156.db2.gz BYKPTZMLLYZYTM-UHFFFAOYSA-N 1 0 375.332 2.585 20 0 GFADRO O=C(CN1CC[NH2+]CC1)N1CCC[C@@H]1c1ccc(Br)cc1Cl ZINC000638690673 565207357 /nfs/dbraw/zinc/20/73/57/565207357.db2.gz YDAYIRCLKBCQAP-OAHLLOKOSA-N 1 0 386.721 2.671 20 0 GFADRO CC[C@@H](Cc1ccccc1Br)[NH2+]Cc1ccc(S(N)(=O)=O)o1 ZINC000638759229 565209039 /nfs/dbraw/zinc/20/90/39/565209039.db2.gz INTUADXFHDJURL-LBPRGKRZSA-N 1 0 387.299 2.800 20 0 GFADRO O=C(c1ccc(F)c(Br)c1)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000638777815 565210479 /nfs/dbraw/zinc/21/04/79/565210479.db2.gz HSABIARXZKSDTM-AWEZNQCLSA-N 1 0 385.277 2.819 20 0 GFADRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)Cc1ccc(Br)c(Br)c1 ZINC000659309874 565211443 /nfs/dbraw/zinc/21/14/43/565211443.db2.gz ZVPKQBLXUVXNJY-ZANVPECISA-N 1 0 390.119 2.868 20 0 GFADRO COC[C@]1(CNC(=O)Cc2c(Cl)cccc2Br)CCC[NH2+]1 ZINC000659308834 565211640 /nfs/dbraw/zinc/21/16/40/565211640.db2.gz UOTAWABNQBGPNW-OAHLLOKOSA-N 1 0 375.694 2.530 20 0 GFADRO COc1ccc(Br)c(CC(=O)N2CCOc3ccc(C[NH3+])cc32)c1 ZINC000638807528 565211771 /nfs/dbraw/zinc/21/17/71/565211771.db2.gz KYRBQTKQIJLXFO-UHFFFAOYSA-N 1 0 391.265 2.885 20 0 GFADRO CNC(=O)C(C)(C)C[NH2+][C@@H]1CCN(C)[C@@H](c2ccc(Br)cc2)C1 ZINC000638792448 565212130 /nfs/dbraw/zinc/21/21/30/565212130.db2.gz XDDTXOWHFQJCTL-HZPDHXFCSA-N 1 0 382.346 2.946 20 0 GFADRO COc1ccc(CCC(=O)N[C@@H](CC[NH3+])C(F)(F)F)c(Br)c1 ZINC000659325479 565213069 /nfs/dbraw/zinc/21/30/69/565213069.db2.gz MXWHCFZSVVNFHD-LBPRGKRZSA-N 1 0 383.208 2.786 20 0 GFADRO C[C@@H]1CN(C(=O)CCc2nc(-c3cc(Br)cs3)no2)C[C@H]1C[NH3+] ZINC000638886681 565215394 /nfs/dbraw/zinc/21/53/94/565215394.db2.gz BLSLLYQYIOZOPN-NXEZZACHSA-N 1 0 399.314 2.546 20 0 GFADRO [NH3+]Cc1cc(C(=O)N2CCOC[C@@H]2c2cccc(Br)c2)ccn1 ZINC000659368165 565215636 /nfs/dbraw/zinc/21/56/36/565215636.db2.gz KZTSNTHALHHRFL-MRXNPFEDSA-N 1 0 376.254 2.517 20 0 GFADRO C[NH2+]C[C@H](C)C(=O)N1CCc2cc(Br)c(Br)cc2C1 ZINC000659382149 565215878 /nfs/dbraw/zinc/21/58/78/565215878.db2.gz LOYJQTFIULXTEE-VIFPVBQESA-N 1 0 390.119 2.952 20 0 GFADRO N[C@@H](C(=O)NCC[C@H]([NH3+])Cc1ccccc1)c1ccccc1Br ZINC000638878259 565215982 /nfs/dbraw/zinc/21/59/82/565215982.db2.gz ALVPLORGXNQOOG-WMLDXEAASA-N 1 0 376.298 2.525 20 0 GFADRO CCOc1cc(Br)c(CC(=O)N2C[C@H]([NH3+])C[C@@H]2C)cc1OCC ZINC000638938239 565217723 /nfs/dbraw/zinc/21/77/23/565217723.db2.gz ABBXLDDWTHGORF-WCQYABFASA-N 1 0 385.302 2.737 20 0 GFADRO CC(C)C[C@H](C[NH3+])NC(=O)N1CCN(c2ccc(Br)cc2)CC1 ZINC000659521274 565218898 /nfs/dbraw/zinc/21/88/98/565218898.db2.gz DDPOGWBBGAQXCF-OAHLLOKOSA-N 1 0 383.334 2.654 20 0 GFADRO COCC1(CNC(=O)NCc2sc(C)cc2Br)CC[NH2+]CC1 ZINC000659537778 565220208 /nfs/dbraw/zinc/22/02/08/565220208.db2.gz AAGNVBCJXNBVRT-UHFFFAOYSA-N 1 0 390.347 2.634 20 0 GFADRO C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000659632884 565220863 /nfs/dbraw/zinc/22/08/63/565220863.db2.gz JYQHUVLGTUZSCF-VIFPVBQESA-N 1 0 384.267 2.850 20 0 GFADRO CCO[C@@H]1CN(C(=O)N[C@H](CC)Cc2ccc(Br)cc2)C[C@H]1C[NH3+] ZINC000659623488 565220927 /nfs/dbraw/zinc/22/09/27/565220927.db2.gz DKUJPTJCQKHZQB-DJIMGWMZSA-N 1 0 398.345 2.775 20 0 GFADRO COC(=O)c1cc(NC(=O)N[C@@](C)(C[NH3+])C2CC2)c(Br)cc1F ZINC000591287224 565221104 /nfs/dbraw/zinc/22/11/04/565221104.db2.gz DQTGXZWRIXFNFD-HNNXBMFYSA-N 1 0 388.237 2.624 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CN(C(=O)NC(CCC(F)(F)F)CCC(F)(F)F)CCO1 ZINC000659605575 565221179 /nfs/dbraw/zinc/22/11/79/565221179.db2.gz MYMXCAOKBLOCBS-MWLCHTKSSA-N 1 0 379.345 2.798 20 0 GFADRO C[C@H]([NH3+])[C@H]1CN(C(=O)N[C@@H]2CCCCc3cc(Br)ccc32)CCO1 ZINC000659628515 565221341 /nfs/dbraw/zinc/22/13/41/565221341.db2.gz QLMLAWSEXGUKIE-JCURWCKSSA-N 1 0 396.329 2.974 20 0 GFADRO C[NH2+]C[C@@H](C)NC(=O)N1CCN(c2ccc(C(F)(F)F)cc2Cl)CC1 ZINC000659633448 565221442 /nfs/dbraw/zinc/22/14/42/565221442.db2.gz CPRKVQYHMGFLFS-LLVKDONJSA-N 1 0 378.826 2.798 20 0 GFADRO COC(=O)c1cc(NC(=O)N2CC[C@@H]([C@H](C)[NH3+])C2)c(Br)cc1F ZINC000591287347 565221807 /nfs/dbraw/zinc/22/18/07/565221807.db2.gz PTOFLZZFEBHCLD-DTWKUNHWSA-N 1 0 388.237 2.576 20 0 GFADRO [NH3+]C1(CNC(=O)C(=O)N2CCC[C@@H]2c2cccc(Br)c2)CCCC1 ZINC000659735278 565222121 /nfs/dbraw/zinc/22/21/21/565222121.db2.gz YRNJUDAZDACLPH-OAHLLOKOSA-N 1 0 394.313 2.500 20 0 GFADRO CC(C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659742511 565222486 /nfs/dbraw/zinc/22/24/86/565222486.db2.gz SPOOETMEYYEDOQ-UHFFFAOYSA-N 1 0 384.307 2.599 20 0 GFADRO CCN(CC)c1nc2sc(C(=O)N(CCOC)CC[NH+](C)C)cc2s1 ZINC000591302206 565222639 /nfs/dbraw/zinc/22/26/39/565222639.db2.gz XAEAPGSXYLTPAG-UHFFFAOYSA-N 1 0 384.571 2.854 20 0 GFADRO O=C(NCC[NH2+]C1CC1)Nc1cc(Cl)ccc1I ZINC000591308355 565224195 /nfs/dbraw/zinc/22/41/95/565224195.db2.gz SOQYBPVGRPSVJD-UHFFFAOYSA-N 1 0 379.629 2.818 20 0 GFADRO CN1CC[C@H]([NH2+]C[C@H](CO)[C@H]2CCOC2)C[C@H]1c1ccc(Br)cc1 ZINC000639129138 565227204 /nfs/dbraw/zinc/22/72/04/565227204.db2.gz QFZOLQXVKPVBLR-NBMJBFSESA-N 1 0 397.357 2.819 20 0 GFADRO [NH3+]C/C=C/CNC(=O)N1CCC[C@@H]1c1ccccc1I ZINC000591360934 565227447 /nfs/dbraw/zinc/22/74/47/565227447.db2.gz MWEVDDJZJMAXAW-RDFMZFSFSA-N 1 0 385.249 2.653 20 0 GFADRO C[N@@H+](Cc1cnn2cc(Br)cnc12)C[C@H](O)Cc1ccccc1 ZINC000639204869 565231876 /nfs/dbraw/zinc/23/18/76/565231876.db2.gz UIHILCJKNSBAEI-MRXNPFEDSA-N 1 0 375.270 2.527 20 0 GFADRO CN1CC[C@@H]([NH2+]C[C@H]2CC[C@@H](CO)O2)C[C@H]1c1ccc(Br)cc1 ZINC000639206183 565233185 /nfs/dbraw/zinc/23/31/85/565233185.db2.gz NVIMJMZEWOLQFV-BDXSIMOUSA-N 1 0 383.330 2.714 20 0 GFADRO Cc1c(Br)cccc1C[C@H](CO)C[NH2+][C@@H](C)C[C@H]1CCCC(=O)N1 ZINC000639238784 565234787 /nfs/dbraw/zinc/23/47/87/565234787.db2.gz XFBJSBVKFBUPCF-JLJPHGGASA-N 1 0 397.357 2.945 20 0 GFADRO C[C@@H]1CCCN(C(=O)c2c(F)cccc2I)[C@H]1C[NH3+] ZINC000591676346 565236184 /nfs/dbraw/zinc/23/61/84/565236184.db2.gz MUUADFVAERAKMI-SKDRFNHKSA-N 1 0 376.213 2.630 20 0 GFADRO O=C(Cc1ccc(I)cc1)N(C1CC1)C1CC[NH2+]CC1 ZINC000591680738 565236754 /nfs/dbraw/zinc/23/67/54/565236754.db2.gz CXHHFKGUTBVKDO-UHFFFAOYSA-N 1 0 384.261 2.577 20 0 GFADRO CCn1cc(C[NH2+][C@H]2CCN(C)[C@H](c3ccc(Br)cc3)C2)nn1 ZINC000639308967 565239428 /nfs/dbraw/zinc/23/94/28/565239428.db2.gz IGHAGIMSBXCDTM-RDJZCZTQSA-N 1 0 378.318 2.986 20 0 GFADRO COc1nsc(C[NH2+]CC2(CC(N)=O)CCCCC2)c1Br ZINC000639326083 565239481 /nfs/dbraw/zinc/23/94/81/565239481.db2.gz DDFOXTSLSVMUDT-UHFFFAOYSA-N 1 0 376.320 2.830 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+][C@@H](CCO)c2cc(Cl)cc(Cl)c2)cc1 ZINC000639358145 565242020 /nfs/dbraw/zinc/24/20/20/565242020.db2.gz WUVJGDQIIAVTKY-INIZCTEOSA-N 1 0 389.304 2.854 20 0 GFADRO CC(C)[NH2+][C@H]1CCCN(CC(=O)c2c[nH]c3ncc(Br)cc23)C1 ZINC000660068651 565246678 /nfs/dbraw/zinc/24/66/78/565246678.db2.gz NUGCWTUYFDHFME-ZDUSSCGKSA-N 1 0 379.302 2.971 20 0 GFADRO CC(C)[N@H+](C)C[C@H](O)CN1CCc2[nH]c3ccc(Br)cc3c2C1 ZINC000660067693 565246985 /nfs/dbraw/zinc/24/69/85/565246985.db2.gz GJXKJHXQQSBTAN-AWEZNQCLSA-N 1 0 380.330 2.990 20 0 GFADRO NC(=O)CC[C@@H]1CCC[N@H+](C[C@H](O)COc2cc(Cl)cc(Cl)c2)C1 ZINC000639469739 565247865 /nfs/dbraw/zinc/24/78/65/565247865.db2.gz AAHXMNPVYRUILH-WFASDCNBSA-N 1 0 375.296 2.711 20 0 GFADRO Cc1c(C(=O)N[C@H]2CCC[N@@H+](C)C2)cnn1-c1cccc(Br)c1 ZINC000592041108 565249629 /nfs/dbraw/zinc/24/96/29/565249629.db2.gz YXSXQMCELJGOSK-AWEZNQCLSA-N 1 0 377.286 2.767 20 0 GFADRO Clc1ccc(CCN2CC[NH+](C[C@H]3CCc4ncnn43)CC2)cc1Cl ZINC000639554218 565249731 /nfs/dbraw/zinc/24/97/31/565249731.db2.gz BWQRNNXJRKUMKZ-OAHLLOKOSA-N 1 0 380.323 2.933 20 0 GFADRO OC1(C[NH+]2CCOCC2)CCN(Cc2cc(Cl)cc(Cl)c2F)CC1 ZINC000639557924 565249968 /nfs/dbraw/zinc/24/99/68/565249968.db2.gz UNMPFLAIEQIUQJ-UHFFFAOYSA-N 1 0 377.287 2.792 20 0 GFADRO COCC[N@@H+](Cc1cc(Br)cs1)C[C@H](O)C[C@](C)(O)C1CC1 ZINC000639634623 565252283 /nfs/dbraw/zinc/25/22/83/565252283.db2.gz SJHFCXZZCTXCDV-ZBFHGGJFSA-N 1 0 392.359 2.871 20 0 GFADRO COCC[N@@H+]1CCC[C@@H](NC(=O)[C@H](C)Oc2cc(Cl)cc(Cl)c2)C1 ZINC000592090089 565253739 /nfs/dbraw/zinc/25/37/39/565253739.db2.gz AWCNSLRZYRQEJX-SWLSCSKDSA-N 1 0 375.296 2.988 20 0 GFADRO COCC[N@@H+]1CCC[C@@H](NC(=O)CCOc2cccc(Cl)c2Cl)C1 ZINC000592094100 565256159 /nfs/dbraw/zinc/25/61/59/565256159.db2.gz GFJIEHSJYWNJDP-CYBMUJFWSA-N 1 0 375.296 2.989 20 0 GFADRO OCC1([C@@H]([NH2+]Cc2cn3cc(Br)ccc3n2)[C@H]2CCCO2)CCC1 ZINC000639769968 565258006 /nfs/dbraw/zinc/25/80/06/565258006.db2.gz YRETUNHDOILMOE-WBVHZDCISA-N 1 0 394.313 2.897 20 0 GFADRO FC(F)(F)c1ncccc1C[N@H+](CCN1CCOCC1)[C@@H]1CCSC1 ZINC000639770738 565258927 /nfs/dbraw/zinc/25/89/27/565258927.db2.gz ROTFIAUNPAQWCF-OAHLLOKOSA-N 1 0 375.460 2.740 20 0 GFADRO O=C1CCCN1C[C@@H]1CC[N@@H+](C[C@@H](O)COc2cc(Cl)cc(Cl)c2)C1 ZINC000639862588 565266258 /nfs/dbraw/zinc/26/62/58/565266258.db2.gz MKWZIIPETWXTCJ-CZUORRHYSA-N 1 0 387.307 2.677 20 0 GFADRO CCN(C(=O)c1cnc2ccc(Br)cc2c1O)[C@H]1CC[N@H+](CC)C1 ZINC000617927991 565268241 /nfs/dbraw/zinc/26/82/41/565268241.db2.gz HKKFXNDSCLMLMG-ZDUSSCGKSA-N 1 0 392.297 2.847 20 0 GFADRO COCCOc1ccc(Br)cc1NC(=O)NCC1([NH+](C)C)CC1 ZINC000639930295 565269085 /nfs/dbraw/zinc/26/90/85/565269085.db2.gz RZVCLXRGRQSXDX-UHFFFAOYSA-N 1 0 386.290 2.690 20 0 GFADRO CC[C@H]1CN(C(=O)c2cc(F)c(F)cc2I)CC[C@@H]1[NH3+] ZINC000592332895 565269938 /nfs/dbraw/zinc/26/99/38/565269938.db2.gz RDCJGJQHBGTKED-SDBXPKJASA-N 1 0 394.203 2.769 20 0 GFADRO CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)N1CCC(C)([NH3+])CC1 ZINC000592331465 565270134 /nfs/dbraw/zinc/27/01/34/565270134.db2.gz POYBUCISUYNVHI-HNNXBMFYSA-N 1 0 383.945 2.531 20 0 GFADRO COc1cc(NC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)ncc1Br ZINC000639966475 565270941 /nfs/dbraw/zinc/27/09/41/565270941.db2.gz HNDJAKJVWGPMGS-GFCCVEGCSA-N 1 0 383.290 2.945 20 0 GFADRO C[C@H]1CC[C@@](CO)([N@H+](C)CC(=O)c2c[nH]c3ncc(Br)cc23)C1 ZINC000660335813 565271143 /nfs/dbraw/zinc/27/11/43/565271143.db2.gz KMQYCDSZLGQUON-APPDUMDISA-N 1 0 380.286 2.991 20 0 GFADRO COc1ccc(NC(=O)N[C@@H]2CCC[N@H+](C)C2)c(I)c1 ZINC000618004566 565271414 /nfs/dbraw/zinc/27/14/14/565271414.db2.gz PJUCHTDELPXEOX-SNVBAGLBSA-N 1 0 389.237 2.516 20 0 GFADRO CC[N@@H+]1CCN(C[C@H](O)COc2ccc(Cl)cc2Br)C[C@H]1C ZINC000592386928 565273751 /nfs/dbraw/zinc/27/37/51/565273751.db2.gz VANMQWUDOYPURM-OCCSQVGLSA-N 1 0 391.737 2.868 20 0 GFADRO OCCC1(CCO)CC[NH+](C[C@@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000640015609 565274319 /nfs/dbraw/zinc/27/43/19/565274319.db2.gz XVXBHAQPZREDJN-OAHLLOKOSA-N 1 0 392.323 2.580 20 0 GFADRO OCCC1(CCO)CC[NH+](C[C@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000640015056 565274491 /nfs/dbraw/zinc/27/44/91/565274491.db2.gz PYVDMRXNAYHZQY-AWEZNQCLSA-N 1 0 392.323 2.580 20 0 GFADRO CCOC(=O)COc1c(Br)cc(C)cc1CN1CCC[C@@H](C[NH3+])C1 ZINC000592426244 565275404 /nfs/dbraw/zinc/27/54/04/565275404.db2.gz HCKYVMOQKFTPCT-AWEZNQCLSA-N 1 0 399.329 2.870 20 0 GFADRO FC(F)[C@@H]1C[NH2+]CCN1CCCOc1cccc(I)c1 ZINC000592435244 565276317 /nfs/dbraw/zinc/27/63/17/565276317.db2.gz QVASIHSYONJSJA-ZDUSSCGKSA-N 1 0 396.219 2.599 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CN1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000640052441 565277238 /nfs/dbraw/zinc/27/72/38/565277238.db2.gz BMBMQMSLGYUWSK-CMPLNLGQSA-N 1 0 395.219 2.799 20 0 GFADRO Brc1ccc2nc(CN3CCC[C@H]([NH+]4CCOCC4)CC3)cn2c1 ZINC000660473944 565277829 /nfs/dbraw/zinc/27/78/29/565277829.db2.gz WNGBNVSUBFAHAH-KRWDZBQOSA-N 1 0 393.329 2.784 20 0 GFADRO C[C@@H](NC(=O)c1cnn2c1[C@H](C[NH3+])CCC2)c1ccccc1Br ZINC000592480025 565278810 /nfs/dbraw/zinc/27/88/10/565278810.db2.gz VEBQYUJIIZFUHJ-NEPJUHHUSA-N 1 0 377.286 2.973 20 0 GFADRO CC1(C)C[NH2+][C@H]1C(=O)N1CCC[C@H]1c1ccccc1I ZINC000592533160 565281204 /nfs/dbraw/zinc/28/12/04/565281204.db2.gz UJMFKXDQZCBKJT-KBPBESRZSA-N 1 0 384.261 2.953 20 0 GFADRO O=C(Cc1ccc(I)cc1)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000592568995 565282511 /nfs/dbraw/zinc/28/25/11/565282511.db2.gz UOESFJUIDIQTLK-CQSZACIVSA-N 1 0 384.261 2.625 20 0 GFADRO COCC1([NH2+]CC(=O)Nc2ccc(OC(F)F)c(Cl)c2)CCOCC1 ZINC000660629595 565285075 /nfs/dbraw/zinc/28/50/75/565285075.db2.gz KGOLLRHKVXVQHV-UHFFFAOYSA-N 1 0 378.803 2.665 20 0 GFADRO Cc1cc(CC(C)(C)[NH2+]CCN2C(=O)CN(C)C2=O)ccc1Br ZINC000660614682 565285419 /nfs/dbraw/zinc/28/54/19/565285419.db2.gz OFXMATJFVPGFQZ-UHFFFAOYSA-N 1 0 382.302 2.562 20 0 GFADRO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)CCCc1ccc(Cl)c(Cl)c1 ZINC000618304901 565285901 /nfs/dbraw/zinc/28/59/01/565285901.db2.gz CMORFZGVTLCQHR-UHFFFAOYSA-N 1 0 388.339 2.795 20 0 GFADRO C[N@@H+]1CCC[C@@]2(CCN(CC(=O)c3c[nH]c4ncc(Br)cc34)C2)C1 ZINC000660641840 565286318 /nfs/dbraw/zinc/28/63/18/565286318.db2.gz KTNGSMTUGWJANT-GOSISDBHSA-N 1 0 391.313 2.926 20 0 GFADRO C[N@@H+]1CCC[C@@H]1CNC(=O)Nc1cc(N2CCOCC2)ccc1Br ZINC000640233481 565289006 /nfs/dbraw/zinc/28/90/06/565289006.db2.gz AMAWXUFPKQJCHW-CQSZACIVSA-N 1 0 397.317 2.501 20 0 GFADRO C[C@@H](CNC(=O)Nc1nn(CC(F)(F)F)cc1Cl)[NH+]1CCC(C)CC1 ZINC000640293018 565293590 /nfs/dbraw/zinc/29/35/90/565293590.db2.gz RVFTVVHLDCUDTB-NSHDSACASA-N 1 0 381.830 3.341 20 0 GFADRO C[NH+](C)[C@]1(CNC(=O)NC[C@H](OC2CCCC2)C(F)(F)F)CCSC1 ZINC000660823729 565295866 /nfs/dbraw/zinc/29/58/66/565295866.db2.gz HYRBHLOAZXBRSY-ZFWWWQNUSA-N 1 0 383.480 2.613 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)N2CCOc3cc(Br)ccc3C2)CC[N@@H+]1C ZINC000660857650 565297223 /nfs/dbraw/zinc/29/72/23/565297223.db2.gz UQKSIRVEPBEERJ-DOMZBBRYSA-N 1 0 382.302 2.836 20 0 GFADRO Cn1cc(Br)c(NC(=O)NC2CC[NH+](C3CCCCC3)CC2)n1 ZINC000640310581 565298821 /nfs/dbraw/zinc/29/88/21/565298821.db2.gz QZFNQFFVPMOLSD-UHFFFAOYSA-N 1 0 384.322 3.101 20 0 GFADRO CCC[NH+]1CCC(NC(=O)Nc2nnc(C(F)(F)C(F)(F)F)s2)CC1 ZINC000640385129 565305016 /nfs/dbraw/zinc/30/50/16/565305016.db2.gz ZLCLKRAHSKXLPZ-UHFFFAOYSA-N 1 0 387.378 3.188 20 0 GFADRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+]Cc1cc(Cl)ccc1I ZINC000593027848 565308233 /nfs/dbraw/zinc/30/82/33/565308233.db2.gz XNVYYABJMLBJHJ-DGCLKSJQSA-N 1 0 392.668 2.949 20 0 GFADRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1cc(Cl)ccc1I ZINC000593027850 565308404 /nfs/dbraw/zinc/30/84/04/565308404.db2.gz XNVYYABJMLBJHJ-YPMHNXCESA-N 1 0 392.668 2.949 20 0 GFADRO CNC(=O)[C@H]1CCC[C@H]1[NH2+]Cc1cc(Cl)ccc1I ZINC000593027849 565309144 /nfs/dbraw/zinc/30/91/44/565309144.db2.gz XNVYYABJMLBJHJ-WCQYABFASA-N 1 0 392.668 2.949 20 0 GFADRO O=C(c1ccc(Br)cc1O)N1CCCN(c2cc[nH+]cc2)CC1 ZINC000640447521 565311131 /nfs/dbraw/zinc/31/11/31/565311131.db2.gz SCXQYLZULTWNIN-UHFFFAOYSA-N 1 0 376.254 2.902 20 0 GFADRO COC[C@H]([NH2+]C[C@H](O)COc1cc(Cl)ccc1Cl)C1CCOCC1 ZINC000661160825 565311710 /nfs/dbraw/zinc/31/17/10/565311710.db2.gz OGFNNEHRHCHPRR-HOCLYGCPSA-N 1 0 378.296 2.764 20 0 GFADRO O=C(C[N@@H+]1C[C@@H]2C[C@H](O)CC[C@@H]2C1)c1c[nH]c2ncc(Br)cc12 ZINC000661205612 565313442 /nfs/dbraw/zinc/31/34/42/565313442.db2.gz ZTALGPDPVAPBOM-NTZNESFSSA-N 1 0 378.270 2.601 20 0 GFADRO CO[C@@H]1CCC[C@@H]([C@@H](CO)[NH2+]CC(=O)Nc2ccccc2Br)C1 ZINC000661220436 565314652 /nfs/dbraw/zinc/31/46/52/565314652.db2.gz OYAMCEPQMKZBPX-XJKCOSOUSA-N 1 0 385.302 2.543 20 0 GFADRO CO[C@@H]1CCC[C@H]([C@@H](CO)[NH2+]C[C@H](O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000661220797 565314984 /nfs/dbraw/zinc/31/49/84/565314984.db2.gz PABXQGZUEJRNLB-UYAYXHRUSA-N 1 0 392.323 2.889 20 0 GFADRO Cc1ccc2c(c1Br)CN(C(=O)NCC[N@@H+]1CCCOCC1)C2 ZINC000661237897 565315950 /nfs/dbraw/zinc/31/59/50/565315950.db2.gz OAPDXRQOWDDZPQ-UHFFFAOYSA-N 1 0 382.302 2.505 20 0 GFADRO COC(=O)c1cc(Br)cc(C(=O)N2[C@H](C)C[N@H+](C)[C@H](C)[C@@H]2C)c1 ZINC000593191287 565318827 /nfs/dbraw/zinc/31/88/27/565318827.db2.gz XNRLLINSMFFIRN-UTUOFQBUSA-N 1 0 383.286 2.789 20 0 GFADRO C[N@@H+]1CCN(C(=O)c2ccc(Cl)c(NS(C)(=O)=O)c2)C[C@@H]1C(C)(C)C ZINC000640624599 565320202 /nfs/dbraw/zinc/32/02/02/565320202.db2.gz ARSGKJIAECXGKV-OAHLLOKOSA-N 1 0 387.933 2.514 20 0 GFADRO [NH3+][C@@H](c1cn(CC(=O)Nc2ccc(Cl)cc2Cl)nn1)C1CCOCC1 ZINC000640764842 565325563 /nfs/dbraw/zinc/32/55/63/565325563.db2.gz WGIHOVGFKUGUJY-MRXNPFEDSA-N 1 0 384.267 2.650 20 0 GFADRO COCC[C@@H]([NH3+])Cc1cn([C@@H](C)C(=O)Nc2cc(Cl)ccc2Cl)nn1 ZINC000640803000 565328757 /nfs/dbraw/zinc/32/87/57/565328757.db2.gz UZOKZYIHLZAHSN-CMPLNLGQSA-N 1 0 386.283 2.691 20 0 GFADRO CN1CCN(c2cc[nH+]cc2NC(=O)c2sccc2Br)CC1 ZINC000619176627 565330830 /nfs/dbraw/zinc/33/08/30/565330830.db2.gz IYRSSEZQDLIENJ-UHFFFAOYSA-N 1 0 381.299 2.910 20 0 GFADRO C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)[NH+]1C[C@@H](C)C(O)[C@H](C)C1 ZINC000661625221 565331710 /nfs/dbraw/zinc/33/17/10/565331710.db2.gz SNFGZBSHJZRCNY-MCIONIFRSA-N 1 0 383.330 2.745 20 0 GFADRO COc1cc(Br)c(Cn2cc([C@H]3CCC[NH2+]C3)nn2)cc1OC ZINC000640859415 565332676 /nfs/dbraw/zinc/33/26/76/565332676.db2.gz HOIZRXNKPPREBS-NSHDSACASA-N 1 0 381.274 2.573 20 0 GFADRO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)Cn1cc([C@H]2CCC[NH2+]C2)nn1 ZINC000640886901 565335028 /nfs/dbraw/zinc/33/50/28/565335028.db2.gz ZPBQLCNIRPCSGI-ZDUSSCGKSA-N 1 0 382.295 2.711 20 0 GFADRO CCC(C)(C)NC(=O)[C@@H](C)n1cc([C@H]([NH3+])c2ccc(Br)cc2)nn1 ZINC000640908764 565335953 /nfs/dbraw/zinc/33/59/53/565335953.db2.gz GNIUJBINKORVBH-IAQYHMDHSA-N 1 0 394.317 2.955 20 0 GFADRO Cn1cc(C[C@H]2CCC[C@@H]2[NH2+]CC(=O)Nc2ccc(Br)cn2)cn1 ZINC000661775925 565338312 /nfs/dbraw/zinc/33/83/12/565338312.db2.gz DRIBHGYAJIITGE-HIFRSBDPSA-N 1 0 392.301 2.517 20 0 GFADRO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)Cn1cc([C@H]2CCC[NH2+]C2)nn1 ZINC000640984613 565339940 /nfs/dbraw/zinc/33/99/40/565339940.db2.gz RWVCGPWYYRIPLX-ZDUSSCGKSA-N 1 0 382.295 2.711 20 0 GFADRO CSC[C@@H](C)NC(=O)C(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000593551242 565340631 /nfs/dbraw/zinc/34/06/31/565340631.db2.gz XTRIVXOKDSLIMK-CQSZACIVSA-N 1 0 381.567 2.681 20 0 GFADRO CS[C@@H]1CN(S(=O)(=O)c2ccc(Cl)c(F)c2)C[C@H]1[NH+]1CCCC1 ZINC000593584401 565343592 /nfs/dbraw/zinc/34/35/92/565343592.db2.gz NHNVWRMQYZYYED-HUUCEWRRSA-N 1 0 378.922 2.679 20 0 GFADRO CCOC(=O)C(C)(C)CCC[C@@H](C)[NH2+]C1CCN(S(=O)(=O)CC)CC1 ZINC000593589084 565345348 /nfs/dbraw/zinc/34/53/48/565345348.db2.gz RKASZFDIQXJHDB-OAHLLOKOSA-N 1 0 376.563 2.538 20 0 GFADRO COCC[C@H]([NH3+])Cc1cn([C@@H]2CCCc3ccc(Br)cc32)nn1 ZINC000641123750 565348052 /nfs/dbraw/zinc/34/80/52/565348052.db2.gz XFPWPJGHDFEDBJ-WMLDXEAASA-N 1 0 379.302 2.873 20 0 GFADRO CN(CCC[NH3+])Cc1cn([C@@H]2CCCc3ccc(Br)cc32)nn1 ZINC000641122427 565348311 /nfs/dbraw/zinc/34/83/11/565348311.db2.gz GIKWRSAEPCXAPB-QGZVFWFLSA-N 1 0 378.318 2.747 20 0 GFADRO O=C1CCCN1C[C@H]1CC[N@@H+](C[C@H](O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000662060423 565349010 /nfs/dbraw/zinc/34/90/10/565349010.db2.gz KYYGWTFVPBPZPI-KBPBESRZSA-N 1 0 387.307 2.677 20 0 GFADRO CC(C)NC(=O)[C@H]1CCC[N@H+](C[C@H](O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000662117295 565351355 /nfs/dbraw/zinc/35/13/55/565351355.db2.gz DCVGNEJORDONMU-KBPBESRZSA-N 1 0 389.323 2.970 20 0 GFADRO COc1ncc(Br)cc1CN1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000662279944 565358170 /nfs/dbraw/zinc/35/81/70/565358170.db2.gz BGIYWHWNPHIYCT-HOTGVXAUSA-N 1 0 384.318 2.571 20 0 GFADRO [NH3+]C[C@H]1CN(Cc2cccc(OCC(F)(F)F)c2Br)CCCO1 ZINC000662280998 565358188 /nfs/dbraw/zinc/35/81/88/565358188.db2.gz JSMQPNZQCBDCND-LBPRGKRZSA-N 1 0 397.235 2.940 20 0 GFADRO [NH3+]C[C@H]1CCc2ccccc2N1Cc1nnnn1-c1ccccc1Br ZINC000662304479 565359562 /nfs/dbraw/zinc/35/95/62/565359562.db2.gz KBACSXRPEOEZCM-CQSZACIVSA-N 1 0 399.296 2.705 20 0 GFADRO C[C@@H](C(=O)Nc1ccc(Br)cc1)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662320929 565360365 /nfs/dbraw/zinc/36/03/65/565360365.db2.gz KNWKXGHQMGOAMW-WMLDXEAASA-N 1 0 398.345 2.819 20 0 GFADRO CN(Cc1csc(-c2ccc(S(C)(=O)=O)cc2)n1)[C@H](C[NH3+])C(F)(F)F ZINC000662328639 565360699 /nfs/dbraw/zinc/36/06/99/565360699.db2.gz GSNKCTJDXIGMCH-CYBMUJFWSA-N 1 0 393.456 2.535 20 0 GFADRO C[NH+](C)CCN(Cc1ccc(F)c(F)c1)S(=O)(=O)C[C@@]1(C)CC1(F)F ZINC000641302971 565360769 /nfs/dbraw/zinc/36/07/69/565360769.db2.gz XKXPJEBIHYVKEY-OAHLLOKOSA-N 1 0 382.423 2.704 20 0 GFADRO CCC[N@@H+]1CC[C@H](NC(=O)C2CCN(C(=O)c3ccc(Cl)s3)CC2)C1 ZINC000619896042 565361870 /nfs/dbraw/zinc/36/18/70/565361870.db2.gz YMDLAMQKZHCNPZ-AWEZNQCLSA-N 1 0 383.945 2.854 20 0 GFADRO CC12CC(C1)C[N@@H+]2CC(=O)N1CCN(Cc2ccc(Br)s2)CC1 ZINC000662381555 565364774 /nfs/dbraw/zinc/36/47/74/565364774.db2.gz WJMKWVDMRKWIFJ-UHFFFAOYSA-N 1 0 398.370 2.639 20 0 GFADRO Cc1csc([C@@H](NS(=O)(=O)c2cccc3c2CCN(C)C3)C2CC2)n1 ZINC000641354080 565365628 /nfs/dbraw/zinc/36/56/28/565365628.db2.gz LRSAMYIDTHLEON-KRWDZBQOSA-N 1 0 377.535 2.869 20 0 GFADRO C[N@H+](CCNC(=O)[C@@H](N)c1ccccc1Br)Cc1ccccc1 ZINC000662402423 565366463 /nfs/dbraw/zinc/36/64/63/565366463.db2.gz JQWVEBSZVXSEHT-KRWDZBQOSA-N 1 0 376.298 2.697 20 0 GFADRO CN(CC[NH+]1CCCCC1)C(=O)c1cc(F)ccc1I ZINC000593882394 565366458 /nfs/dbraw/zinc/36/64/58/565366458.db2.gz FNDMEPXUJJVLOG-UHFFFAOYSA-N 1 0 390.240 2.988 20 0 GFADRO COc1cc(CS(=O)(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)sn1 ZINC000641393868 565369797 /nfs/dbraw/zinc/36/97/97/565369797.db2.gz PWLUICDCEKUAMS-UHFFFAOYSA-N 1 0 387.571 2.614 20 0 GFADRO O=C(c1sc2c(c1Br)CNC2)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000662520888 565373954 /nfs/dbraw/zinc/37/39/54/565373954.db2.gz BBZCZXAEDMDOQT-GHMZBOCLSA-N 1 0 384.343 2.576 20 0 GFADRO [NH3+]C1(CNC(=O)Cc2ccc(Br)c(Br)c2)CCC1 ZINC000662515502 565374040 /nfs/dbraw/zinc/37/40/40/565374040.db2.gz UGXGVMCQUBFELW-UHFFFAOYSA-N 1 0 376.092 2.752 20 0 GFADRO O=C(c1cc(Br)cc2c1OCCO2)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000662523009 565375251 /nfs/dbraw/zinc/37/52/51/565375251.db2.gz NYSLJRLKXFDKLZ-QWHCGFSZSA-N 1 0 395.297 2.682 20 0 GFADRO COCC[N@@H+]1CCCN(C(=O)[C@H](C)Oc2cccc(Cl)c2Cl)CC1 ZINC000620244885 565376669 /nfs/dbraw/zinc/37/66/69/565376669.db2.gz OAXKBVUUTGVHEL-ZDUSSCGKSA-N 1 0 375.296 2.941 20 0 GFADRO [NH3+]C[C@H]1OCC[C@H]1C(=O)Nc1cc(-c2cc(Br)ccc2Cl)[nH]n1 ZINC000662556000 565377112 /nfs/dbraw/zinc/37/71/12/565377112.db2.gz ZOWHSQVSZDGYPY-NOZJJQNGSA-N 1 0 399.676 2.795 20 0 GFADRO Cc1c(Br)cncc1C(=O)N1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000662576590 565378504 /nfs/dbraw/zinc/37/85/04/565378504.db2.gz WCOSNPBSQTUTGJ-XJKSGUPXSA-N 1 0 382.302 2.511 20 0 GFADRO O=C(NCc1cc2c(c(Br)c1)OCO2)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000620323110 565378591 /nfs/dbraw/zinc/37/85/91/565378591.db2.gz FJSIEINIVZKPLD-KGLIPLIRSA-N 1 0 396.285 2.604 20 0 GFADRO COCC1(C(=O)N2CCN(c3ccc(Cl)c(Cl)c3)CC2)CC[NH2+]CC1 ZINC000662631898 565379580 /nfs/dbraw/zinc/37/95/80/565379580.db2.gz ZZSDDDZEIKIDNN-UHFFFAOYSA-N 1 0 386.323 2.658 20 0 GFADRO O=C(c1[nH]nc(C2CC2)c1Br)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662598897 565379787 /nfs/dbraw/zinc/37/97/87/565379787.db2.gz XRZKZULZVMRMJS-CYBMUJFWSA-N 1 0 381.318 2.901 20 0 GFADRO Cc1c(C(=O)NCC2([NH3+])CCCC2)cnn1-c1cccc(Br)c1 ZINC000662650712 565380454 /nfs/dbraw/zinc/38/04/54/565380454.db2.gz FXDOYBZUHVZGNH-UHFFFAOYSA-N 1 0 377.286 2.945 20 0 GFADRO N[C@@H](C(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1)c1ccccc1Br ZINC000662684956 565382206 /nfs/dbraw/zinc/38/22/06/565382206.db2.gz MDSDURZHMVPTTD-DLBZAZTESA-N 1 0 390.281 2.749 20 0 GFADRO C[C@@H]([NH3+])CC(=O)N1CCc2cc(Br)c(Br)cc2C1 ZINC000662734380 565383487 /nfs/dbraw/zinc/38/34/87/565383487.db2.gz GGOMQJZOSXPVNS-MRVPVSSYSA-N 1 0 376.092 2.834 20 0 GFADRO O=C(CCCc1ccccc1Br)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000620481788 565385774 /nfs/dbraw/zinc/38/57/74/565385774.db2.gz WYYLPXPVAFNZQF-QGZVFWFLSA-N 1 0 395.341 2.829 20 0 GFADRO C[C@H](Cc1ccc(Br)cc1)C(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000620480672 565386339 /nfs/dbraw/zinc/38/63/39/565386339.db2.gz IIVIPBAKODHUFE-KDOFPFPSSA-N 1 0 395.341 2.685 20 0 GFADRO O=C(N[C@H]1CC[NH2+]C2(CCC2)C1)[C@@H]1CCO[C@H]1c1cncc(Br)c1 ZINC000662819050 565386931 /nfs/dbraw/zinc/38/69/31/565386931.db2.gz BGYZWWLGUQYITC-XHSDSOJGSA-N 1 0 394.313 2.713 20 0 GFADRO CC(C)([NH3+])c1cc(C(=O)N2CCOC[C@@H]2c2cccc(Br)c2)on1 ZINC000662881828 565388702 /nfs/dbraw/zinc/38/87/02/565388702.db2.gz HUMTUMDKOGAAPH-CYBMUJFWSA-N 1 0 394.269 2.845 20 0 GFADRO CC(C)[C@H]([NH3+])CCNC(=O)C1(c2ccc(Br)cc2)CCOCC1 ZINC000662926551 565389729 /nfs/dbraw/zinc/38/97/29/565389729.db2.gz PVIHNKNFWFRZNA-MRXNPFEDSA-N 1 0 383.330 2.987 20 0 GFADRO C[NH2+]C[C@@H](C)NC(=O)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000662954867 565391333 /nfs/dbraw/zinc/39/13/33/565391333.db2.gz WJHYCXAAKXNQMJ-SNVBAGLBSA-N 1 0 378.826 2.694 20 0 GFADRO [NH3+]CCCCn1cc(C(=O)Nc2ccc(OC(F)(F)F)cc2Cl)nn1 ZINC000663011022 565393228 /nfs/dbraw/zinc/39/32/28/565393228.db2.gz VFBHUSZKCBFCTE-UHFFFAOYSA-N 1 0 377.754 2.821 20 0 GFADRO C[C@]1(NC(=O)Cc2csc(-c3cccc(Br)c3)n2)CC[NH2+]C1 ZINC000663010572 565393680 /nfs/dbraw/zinc/39/36/80/565393680.db2.gz PLDRCVBCTCGLRY-INIZCTEOSA-N 1 0 380.311 2.983 20 0 GFADRO O=C(NC[C@H]1CC[N@@H+]1Cc1ccccc1)c1c[nH]c(=O)c(Br)c1 ZINC000620770087 565396574 /nfs/dbraw/zinc/39/65/74/565396574.db2.gz AHPHTADGHSISRZ-CQSZACIVSA-N 1 0 376.254 2.554 20 0 GFADRO C[N@H+](CCOc1ccc(Br)cc1)C[C@H](O)COCc1ccco1 ZINC000641938115 565402369 /nfs/dbraw/zinc/40/23/69/565402369.db2.gz OAVDJPWOKUYBTR-HNNXBMFYSA-N 1 0 384.270 2.930 20 0 GFADRO COc1c(Br)ccc(C)c1C(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000620979975 565404682 /nfs/dbraw/zinc/40/46/82/565404682.db2.gz KTXLWEOUTXBORZ-CQSZACIVSA-N 1 0 399.329 2.949 20 0 GFADRO C[C@@H](CNS(=O)(=O)c1ccc(F)cc1Br)[NH+]1CCC(C)CC1 ZINC000621116116 565406186 /nfs/dbraw/zinc/40/61/86/565406186.db2.gz CTQRPTLWXGHXQP-LBPRGKRZSA-N 1 0 393.322 2.987 20 0 GFADRO C[C@@H](NC1CC[NH+]([C@H]2CCOC2)CC1)C(=O)Nc1cccc(Br)c1 ZINC000663304401 565411895 /nfs/dbraw/zinc/41/18/95/565411895.db2.gz QBQWWGKACFTQON-DYVFJYSZSA-N 1 0 396.329 2.619 20 0 GFADRO Brc1ccc2nnc(N3CC[NH+](CCc4ccccc4)CC3)n2c1 ZINC000663362160 565415013 /nfs/dbraw/zinc/41/50/13/565415013.db2.gz BTSSGUFWYGVNCC-UHFFFAOYSA-N 1 0 386.297 2.857 20 0 GFADRO C[C@H](c1ccccc1)[C@H](O)C[NH2+]C[C@H](O)COc1cccc(Br)c1 ZINC000663380404 565416336 /nfs/dbraw/zinc/41/63/36/565416336.db2.gz XXURWIKPMVBZNG-DKSSEZFCSA-N 1 0 394.309 2.943 20 0 GFADRO CSC1(CNS(=O)(=O)CCc2ccccc2Cl)CC[NH+](C)CC1 ZINC000594778296 565419917 /nfs/dbraw/zinc/41/99/17/565419917.db2.gz GOWXFVJOLVXRDG-UHFFFAOYSA-N 1 0 376.975 2.629 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000643080459 565420947 /nfs/dbraw/zinc/42/09/47/565420947.db2.gz IHBWLAJXFSRQDT-GJZGRUSLSA-N 1 0 394.313 2.747 20 0 GFADRO C[C@@H](NC(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1)c1ccc(Br)cc1 ZINC000663443011 565421322 /nfs/dbraw/zinc/42/13/22/565421322.db2.gz NRIXAUMPOFZDMC-DYVFJYSZSA-N 1 0 396.329 2.751 20 0 GFADRO C[C@H](NC(=O)NCCN1C[C@@H](C)OC[C@H]1C)c1ccc(Br)cc1 ZINC000663441757 565421449 /nfs/dbraw/zinc/42/14/49/565421449.db2.gz AKZJRZTZYGXLKW-MCIONIFRSA-N 1 0 384.318 2.919 20 0 GFADRO CN(Cc1cc(Br)cs1)C(=O)C[N@@H+]1CC(C)(C)CC[C@@H]1CO ZINC000621380077 565423564 /nfs/dbraw/zinc/42/35/64/565423564.db2.gz MRGFWIYLMMYPLQ-CYBMUJFWSA-N 1 0 389.359 2.952 20 0 GFADRO Brc1ccc2nnc(N3CCC(OCC[NH+]4CCCC4)CC3)n2c1 ZINC000663677722 565430152 /nfs/dbraw/zinc/43/01/52/565430152.db2.gz BZJNEWZGFIGXFI-UHFFFAOYSA-N 1 0 394.317 2.573 20 0 GFADRO COC(=O)c1scc(C)c1S(=O)(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000594854246 565430475 /nfs/dbraw/zinc/43/04/75/565430475.db2.gz GXNCYZSINDATHV-CYBMUJFWSA-N 1 0 386.539 2.528 20 0 GFADRO Cc1nc(C)c(Br)c(N2CC[C@@H](OCC[NH+]3CCCCC3)C2)n1 ZINC000663731169 565432575 /nfs/dbraw/zinc/43/25/75/565432575.db2.gz IEIVFLGPHGZQSP-OAHLLOKOSA-N 1 0 383.334 2.937 20 0 GFADRO O=C(N[C@@H]1CCc2cc(Br)ccc21)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000643484801 565434495 /nfs/dbraw/zinc/43/44/95/565434495.db2.gz URZATVPLEJNACF-NVXWUHKLSA-N 1 0 389.297 2.987 20 0 GFADRO O=C(NCC(F)(F)c1ccc(Br)cc1)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC000621670882 565435871 /nfs/dbraw/zinc/43/58/71/565435871.db2.gz BJLDCTCZHGGEGD-JTQLQIEISA-N 1 0 399.239 2.771 20 0 GFADRO COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]Cc1nnc(-c2ccc(Br)cc2)[nH]1 ZINC000594930925 565435842 /nfs/dbraw/zinc/43/58/42/565435842.db2.gz BTTFVSWQUZXUJQ-ZWKOPEQDSA-N 1 0 379.258 2.521 20 0 GFADRO O=C(c1cc(Br)c[nH]c1=O)N1CC[NH+](CC2CCCCC2)CC1 ZINC000621708890 565438351 /nfs/dbraw/zinc/43/83/51/565438351.db2.gz DFARFOPBCAWVRX-UHFFFAOYSA-N 1 0 382.302 2.888 20 0 GFADRO Cc1nccnc1C[NH+]1CCC(C(=O)Nc2ccc(Br)cn2)CC1 ZINC000621712641 565438503 /nfs/dbraw/zinc/43/85/03/565438503.db2.gz KHEAOIIRAKHHMZ-UHFFFAOYSA-N 1 0 390.285 2.793 20 0 GFADRO C[S@](=O)[C@@H]1CCC[C@@H]([NH2+]Cc2cn(-c3ccccc3Br)nn2)C1 ZINC000594964242 565438781 /nfs/dbraw/zinc/43/87/81/565438781.db2.gz CKSVIWRZBLPDPE-QNXDBWELSA-N 1 0 397.342 2.809 20 0 GFADRO Brc1cnnc(NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)c1 ZINC000663845574 565439914 /nfs/dbraw/zinc/43/99/14/565439914.db2.gz XEIZYFRZONZUDY-MRXNPFEDSA-N 1 0 377.286 2.942 20 0 GFADRO C[C@H]1CC[N@H+](Cc2ccc(Br)cc2N2CCOCC2)C[C@H]1CO ZINC000621736554 565439928 /nfs/dbraw/zinc/43/99/28/565439928.db2.gz CXESSKVHYJMDAM-HOCLYGCPSA-N 1 0 383.330 2.736 20 0 GFADRO [NH3+][C@]12CCC[C@@H]1CN(Cc1nc(Cc3cccc(Br)c3)no1)C2 ZINC000621782229 565440727 /nfs/dbraw/zinc/44/07/27/565440727.db2.gz NSOGSEALQGVPMM-DYVFJYSZSA-N 1 0 377.286 2.736 20 0 GFADRO Ic1ccc(C[NH2+]C2CCN([C@@H]3CCOC3)CC2)cc1 ZINC000594995056 565441089 /nfs/dbraw/zinc/44/10/89/565441089.db2.gz YSBKJVMNDZNVER-MRXNPFEDSA-N 1 0 386.277 2.634 20 0 GFADRO CS(=O)(=O)c1ccc(-c2nc(CN3C[C@H]4CCC[C@@]4([NH3+])C3)cs2)cc1 ZINC000621782303 565441209 /nfs/dbraw/zinc/44/12/09/565441209.db2.gz ORFMTPDZAQLMNK-RDTXWAMCSA-N 1 0 377.535 2.527 20 0 GFADRO O=C(NCC[NH2+][C@H]1CCc2ccc(I)cc21)c1ccco1 ZINC000595003001 565441328 /nfs/dbraw/zinc/44/13/28/565441328.db2.gz AVGPZNOZYJWRGB-AWEZNQCLSA-N 1 0 396.228 2.891 20 0 GFADRO C[C@@H]1CN(CCNC(=O)N[C@H]2CCc3c2cccc3Br)[C@H](C)CO1 ZINC000663955217 565445616 /nfs/dbraw/zinc/44/56/16/565445616.db2.gz JLOJTFMISUZOKS-XNJGSVPQSA-N 1 0 396.329 2.845 20 0 GFADRO CSC[C@H]([NH2+]C[C@@]1(OCCO)CCOC1)c1ccc(C(F)(F)F)cc1 ZINC000595080738 565446732 /nfs/dbraw/zinc/44/67/32/565446732.db2.gz YZTLXGJNMQHLEJ-HOTGVXAUSA-N 1 0 379.444 2.867 20 0 GFADRO CCN(C(=O)N[C@H]1CCN(c2ccc(Br)cc2)C1)[C@@H]1CC[N@H+](C)C1 ZINC000663974684 565446992 /nfs/dbraw/zinc/44/69/92/565446992.db2.gz LNXZNHFJRCOYIR-DOTOQJQBSA-N 1 0 395.345 2.763 20 0 GFADRO C[C@@H]([NH2+]C[C@H]1CNc2ccnn2C1)c1cc2c(cc1Br)OCCO2 ZINC000595144290 565451148 /nfs/dbraw/zinc/45/11/48/565451148.db2.gz BHORSLPILNSDGV-NEPJUHHUSA-N 1 0 393.285 2.809 20 0 GFADRO CCN(C(=O)N[C@@H]1CCN(c2ccccc2Br)C1)[C@H]1CC[N@H+](C)C1 ZINC000664085034 565452333 /nfs/dbraw/zinc/45/23/33/565452333.db2.gz JBDNWENDXMBARB-CABCVRRESA-N 1 0 395.345 2.763 20 0 GFADRO CCN(C(=O)N[C@@H]1CCN(c2ccccc2Br)C1)[C@@H]1CC[N@H+](C)C1 ZINC000664085036 565452393 /nfs/dbraw/zinc/45/23/93/565452393.db2.gz JBDNWENDXMBARB-HUUCEWRRSA-N 1 0 395.345 2.763 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)NC1CC([NH+](C)C)C1 ZINC000622009873 565454605 /nfs/dbraw/zinc/45/46/05/565454605.db2.gz NBCHYLXADULONC-NFOMZHRRSA-N 1 0 384.567 2.560 20 0 GFADRO [NH3+][C@@]12CCC[C@H]1CN(S(=O)(=O)c1cc(Cl)c(Br)cc1F)C2 ZINC000622014516 565455400 /nfs/dbraw/zinc/45/54/00/565455400.db2.gz GSSYGBZLFBBAPP-ISVAXAHUSA-N 1 0 397.697 2.744 20 0 GFADRO COC(=O)c1cc(NC(=O)NCC[C@@H]([NH3+])C(C)C)c(Br)cc1F ZINC000595229851 565457105 /nfs/dbraw/zinc/45/71/05/565457105.db2.gz PTALPOOLOBOBQO-GFCCVEGCSA-N 1 0 390.253 2.870 20 0 GFADRO O=C(Nc1ccc(I)cc1F)N[C@H]1CCC[NH2+]CC1 ZINC000595235230 565457156 /nfs/dbraw/zinc/45/71/56/565457156.db2.gz SPPZEFKNDFQIAD-JTQLQIEISA-N 1 0 377.201 2.694 20 0 GFADRO COC(=O)c1c(C)c(NC(=O)NCC2([NH3+])CCCC2)ccc1Br ZINC000595231938 565457224 /nfs/dbraw/zinc/45/72/24/565457224.db2.gz JPLPVNGZQDSWFV-UHFFFAOYSA-N 1 0 384.274 2.937 20 0 GFADRO CN(CC(C)(C)[NH3+])C(=O)C(=O)NCCSCc1ccc(Cl)cc1Cl ZINC000595277130 565460015 /nfs/dbraw/zinc/46/00/15/565460015.db2.gz CPJQPRWIGUXADR-UHFFFAOYSA-N 1 0 392.352 2.539 20 0 GFADRO CN(C(=O)c1nn(-c2ccc(F)cc2)cc1Br)C1(C[NH3+])CCC1 ZINC000644139540 565460430 /nfs/dbraw/zinc/46/04/30/565460430.db2.gz HLYOIGFHAOLZFL-UHFFFAOYSA-N 1 0 381.249 2.727 20 0 GFADRO O=C(Nc1cnn(-c2ccccc2Br)c1)[C@@H]1C[NH2+]CCC1(F)F ZINC000644151291 565460981 /nfs/dbraw/zinc/46/09/81/565460981.db2.gz PFTGWLOSLCIFFE-NSHDSACASA-N 1 0 385.212 2.818 20 0 GFADRO COc1cc2[nH+]ccc(N[C@H]3CC[C@@H](C)S(=O)(=O)C3)c2cc1Br ZINC000664360156 565461447 /nfs/dbraw/zinc/46/14/47/565461447.db2.gz RLMFAZIBQINTAU-MNOVXSKESA-N 1 0 399.310 2.805 20 0 GFADRO [NH3+]C1(CNC(=O)c2cc(Cl)ccc2I)CCCC1 ZINC000595941811 565500778 /nfs/dbraw/zinc/50/07/78/565500778.db2.gz UBXDZDZYBJFSEE-UHFFFAOYSA-N 1 0 378.641 2.946 20 0 GFADRO CC[C@H](C[NH+]1CCCC1)NS(=O)(=O)c1cccc(OC(F)(F)F)c1F ZINC000644189887 565462945 /nfs/dbraw/zinc/46/29/45/565462945.db2.gz COOFLPMSFCYELV-LLVKDONJSA-N 1 0 384.395 2.877 20 0 GFADRO C[N@@H+]1C[C@H]2CCN(S(=O)(=O)c3c(Cl)cc(F)cc3Br)[C@@H]2C1 ZINC000644297960 565471525 /nfs/dbraw/zinc/47/15/25/565471525.db2.gz BYEZTMHPQJEWMI-PRHODGIISA-N 1 0 397.697 2.566 20 0 GFADRO O[C@H](C[NH2+][C@H]1CCN(c2ccccn2)C1)COc1c(Cl)cccc1Cl ZINC000644608526 565484160 /nfs/dbraw/zinc/48/41/60/565484160.db2.gz WIRWHNKOAGQAAC-UONOGXRCSA-N 1 0 382.291 2.997 20 0 GFADRO C[C@@H](Cc1ccc(F)c(Br)c1)[NH2+]C[C@H](O)COC1CCOCC1 ZINC000644599789 565484175 /nfs/dbraw/zinc/48/41/75/565484175.db2.gz UDZQLDTWEPTLFM-JSGCOSHPSA-N 1 0 390.293 2.665 20 0 GFADRO CC(C)[C@H](C[NH2+]C[C@H](O)COc1ccc(Br)cc1)c1ccnn1C ZINC000644630352 565486704 /nfs/dbraw/zinc/48/67/04/565486704.db2.gz UZCOKUWBNMXJQM-RDJZCZTQSA-N 1 0 396.329 2.952 20 0 GFADRO C[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)c1ccc(Br)cc1OCCCO ZINC000644708834 565490600 /nfs/dbraw/zinc/49/06/00/565490600.db2.gz LHTAGBSXFWWDHL-BBRMVZONSA-N 1 0 399.329 2.872 20 0 GFADRO O=C(c1nc(C2CC2)ncc1Br)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000623053681 565492655 /nfs/dbraw/zinc/49/26/55/565492655.db2.gz MSCZOPUIVODQDC-TZMCWYRMSA-N 1 0 379.302 2.721 20 0 GFADRO O=C(c1nc(C2CC2)ncc1Br)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000623062174 565492960 /nfs/dbraw/zinc/49/29/60/565492960.db2.gz LQKMFUXVGXAZHS-AWEZNQCLSA-N 1 0 393.329 2.968 20 0 GFADRO O=C(c1nc(C2CC2)ncc1Br)N1CCC2(CC[NH2+]CC2)CC1 ZINC000623066013 565493011 /nfs/dbraw/zinc/49/30/11/565493011.db2.gz XILCTTWECWNGLK-UHFFFAOYSA-N 1 0 379.302 2.722 20 0 GFADRO C[NH2+]Cc1ccccc1CNC(=O)c1nc(C2CC2)ncc1Br ZINC000623064195 565493102 /nfs/dbraw/zinc/49/31/02/565493102.db2.gz WXQVOGGYGLUEOT-UHFFFAOYSA-N 1 0 375.270 2.766 20 0 GFADRO Cc1nc(C(=O)N2CC[C@H]3C[N@@H+](C)C[C@@H]32)nn1-c1c(Cl)cccc1Cl ZINC000644818350 565496728 /nfs/dbraw/zinc/49/67/28/565496728.db2.gz LTZDBOCIFYSZRO-FZMZJTMJSA-N 1 0 380.279 2.659 20 0 GFADRO C[NH2+]C[C@H](C)NC(=O)[C@@H](CCSC)NC(=O)c1ccc(Cl)cc1Cl ZINC000595981823 565503884 /nfs/dbraw/zinc/50/38/84/565503884.db2.gz FMTRBLCHKLAJTD-IINYFYTJSA-N 1 0 392.352 2.569 20 0 GFADRO CCC[NH2+][C@@H](C)C(=O)N1Cc2sc(C(=O)OC)c(Br)c2C1 ZINC000596000767 565504704 /nfs/dbraw/zinc/50/47/04/565504704.db2.gz ORTIYKXVBOIDDN-QMMMGPOBSA-N 1 0 375.288 2.528 20 0 GFADRO COc1ncc(Br)cc1CNC(=O)NC[C@@H](C)[N@@H+]1CCCC[C@H]1C ZINC000623422073 565509172 /nfs/dbraw/zinc/50/91/72/565509172.db2.gz IZEUVGMRWMMOCG-CHWSQXEVSA-N 1 0 399.333 2.915 20 0 GFADRO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)N1CCc2c1cccc2Br ZINC000665763469 565510672 /nfs/dbraw/zinc/51/06/72/565510672.db2.gz BMCKREZDCSIUBJ-AWEZNQCLSA-N 1 0 397.361 2.793 20 0 GFADRO C[C@@H]1C[N@@H+](CCCNC(=O)Cc2ccc(Br)cc2F)C[C@H](C)O1 ZINC000665817215 565512641 /nfs/dbraw/zinc/51/26/41/565512641.db2.gz LTAPMOWZRSONRE-BETUJISGSA-N 1 0 387.293 2.746 20 0 GFADRO CCc1nc(C(=O)N[C@H]2CCC[N@H+](C)C2)nn1-c1c(Cl)cccc1Cl ZINC000623479820 565512993 /nfs/dbraw/zinc/51/29/93/565512993.db2.gz QWLFRQFAMWHYRV-NSHDSACASA-N 1 0 382.295 2.961 20 0 GFADRO Nc1nc(N2CCC(n3cc(Br)cn3)CC2)c2c([nH+]1)CCCC2 ZINC000645167141 565514625 /nfs/dbraw/zinc/51/46/25/565514625.db2.gz BDJPLBVSIZPAJU-UHFFFAOYSA-N 1 0 377.290 2.738 20 0 GFADRO C[NH+]1CCC2(CC1)CN(C(=O)NCc1csc(Br)c1)CCO2 ZINC000645179411 565515992 /nfs/dbraw/zinc/51/59/92/565515992.db2.gz TXMSLDFGBCQVAX-UHFFFAOYSA-N 1 0 388.331 2.517 20 0 GFADRO C[C@@H]1[C@H]([NH+](C)C)CCN1c1ncnc2cccc(I)c21 ZINC000596243625 565516207 /nfs/dbraw/zinc/51/62/07/565516207.db2.gz IQOZSANBJIFGRL-ZWNOBZJWSA-N 1 0 382.249 2.763 20 0 GFADRO COc1cc(C(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)ccc1Br ZINC000623638375 565521432 /nfs/dbraw/zinc/52/14/32/565521432.db2.gz CGNLOBMODRMMLA-CHWSQXEVSA-N 1 0 385.302 2.687 20 0 GFADRO COc1ccc(NC(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)cc1Br ZINC000666064239 565521979 /nfs/dbraw/zinc/52/19/79/565521979.db2.gz JEPQISUOTOVDPN-AWEZNQCLSA-N 1 0 398.301 2.521 20 0 GFADRO COc1ncc(Br)cc1C[NH2+]C1CCN(C(=O)c2ccoc2)CC1 ZINC000623664884 565524332 /nfs/dbraw/zinc/52/43/32/565524332.db2.gz RJXMHQMTJMKIAO-UHFFFAOYSA-N 1 0 394.269 2.840 20 0 GFADRO Cc1c(Br)cc(C[NH2+][C@H]2C[C@H](C(N)=O)C2)cc1Br ZINC000623662010 565524550 /nfs/dbraw/zinc/52/45/50/565524550.db2.gz KHOCUIALAQTSBJ-MGCOHNPYSA-N 1 0 376.092 2.874 20 0 GFADRO CCOc1c(Cl)cc(C[NH2+][C@@H]2CCCC[C@H]2NS(C)(=O)=O)cc1OC ZINC000623670565 565524591 /nfs/dbraw/zinc/52/45/91/565524591.db2.gz XOCALAOENDCNIX-HUUCEWRRSA-N 1 0 390.933 2.697 20 0 GFADRO CS(=O)(=O)c1ccc(C[NH2+][C@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)s1 ZINC000666275492 565528717 /nfs/dbraw/zinc/52/87/17/565528717.db2.gz YPTIAJLWXCQYKO-UKRRQHHQSA-N 1 0 393.452 2.776 20 0 GFADRO O=S(=O)(Cc1ccc(Br)cc1Cl)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000645490417 565530342 /nfs/dbraw/zinc/53/03/42/565530342.db2.gz KRZGGGXZOXNAHL-LBPRGKRZSA-N 1 0 393.734 2.759 20 0 GFADRO CC(C)[N@H+](C)CCCNC(=O)[C@@H]1CCO[C@H]1c1cncc(Br)c1 ZINC000666311540 565531045 /nfs/dbraw/zinc/53/10/45/565531045.db2.gz JJNUUOCXYLDOFJ-CVEARBPZSA-N 1 0 384.318 2.768 20 0 GFADRO Cc1cc(Br)c(C[NH2+]CCN2CC[C@H](O)C2)cc1Br ZINC000623838068 565532629 /nfs/dbraw/zinc/53/26/29/565532629.db2.gz FIWMYXVAJCQTJC-LBPRGKRZSA-N 1 0 392.135 2.676 20 0 GFADRO Cc1cc(Br)cn2c(C[NH2+][C@@H]3CCN(C4CCC4)C3=O)cnc12 ZINC000623842281 565533086 /nfs/dbraw/zinc/53/30/86/565533086.db2.gz JUDSFDHULLQHEK-OAHLLOKOSA-N 1 0 377.286 2.648 20 0 GFADRO C[C@@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+][C@H]1CCCN(S(C)(=O)=O)C1 ZINC000623879060 565533686 /nfs/dbraw/zinc/53/36/86/565533686.db2.gz WYIIDPOEJXRVJT-JQWIXIFHSA-N 1 0 399.866 2.698 20 0 GFADRO C[C@@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+][C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000623879059 565534284 /nfs/dbraw/zinc/53/42/84/565534284.db2.gz WYIIDPOEJXRVJT-CMPLNLGQSA-N 1 0 399.866 2.698 20 0 GFADRO C[C@@H](CNC(=O)C(=O)Nc1ccccc1SCC(F)(F)F)C[NH+](C)C ZINC000645560809 565538246 /nfs/dbraw/zinc/53/82/46/565538246.db2.gz UPSHFGGTNANFSH-NSHDSACASA-N 1 0 377.432 2.593 20 0 GFADRO O=S(=O)(c1ncccc1C(F)(F)F)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000645566196 565539637 /nfs/dbraw/zinc/53/96/37/565539637.db2.gz CYXDGYHXSMOAKJ-ZDUSSCGKSA-N 1 0 377.432 2.597 20 0 GFADRO C[C@@H]([NH2+][C@H]1CCN(c2ccc3nncn3n2)C1)c1ccc(Br)cc1 ZINC000624113458 565543838 /nfs/dbraw/zinc/54/38/38/565543838.db2.gz GLAMVBSVKPEORK-DOMZBBRYSA-N 1 0 387.285 2.816 20 0 GFADRO Brc1ccc2c(c1)[C@@H]([NH2+][C@H]1CCN(c3ccc4nncn4n3)C1)CC2 ZINC000624117721 565544036 /nfs/dbraw/zinc/54/40/36/565544036.db2.gz VIIOTZFPBDJTPF-HOCLYGCPSA-N 1 0 399.296 2.743 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1cc(Br)cc2c1OCCO2 ZINC000666607762 565545930 /nfs/dbraw/zinc/54/59/30/565545930.db2.gz CGIWNONBVKFZOO-OLZOCXBDSA-N 1 0 381.270 2.577 20 0 GFADRO C[NH+](C)CC(C)(C)NC(=O)Nc1ccc(I)cc1F ZINC000597020561 565547309 /nfs/dbraw/zinc/54/73/09/565547309.db2.gz HUZSWCMINZSUNH-UHFFFAOYSA-N 1 0 379.217 2.892 20 0 GFADRO COC(=O)[C@@H](O)C1CC[NH+](Cc2cc3cc(Br)ccc3o2)CC1 ZINC000597029778 565549350 /nfs/dbraw/zinc/54/93/50/565549350.db2.gz NKRWXJWHQHSNKW-INIZCTEOSA-N 1 0 382.254 2.941 20 0 GFADRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)NCc2cc(F)c(Br)cc2F)C1 ZINC000624307054 565551021 /nfs/dbraw/zinc/55/10/21/565551021.db2.gz YAQBADQNMSJAKS-JGZJWPJOSA-N 1 0 376.245 2.867 20 0 GFADRO O[C@H]1CCN(CC[NH2+][C@H]2CCCc3c4cc(Br)ccc4[nH]c32)C1 ZINC000624339912 565551253 /nfs/dbraw/zinc/55/12/53/565551253.db2.gz VSBJCLYJDLCCRQ-GUYCJALGSA-N 1 0 378.314 2.964 20 0 GFADRO C[NH+]1CCN(CC2CN(c3nc(-c4cc(Cl)cc(Cl)c4)no3)C2)CC1 ZINC000624364246 565553801 /nfs/dbraw/zinc/55/38/01/565553801.db2.gz JKWSLYBTVFRUHY-UHFFFAOYSA-N 1 0 382.295 2.727 20 0 GFADRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)s2)CC[C@H]1C(F)(F)F ZINC000624392674 565555912 /nfs/dbraw/zinc/55/59/12/565555912.db2.gz XBLFCJCDSAOSQR-HTQZYQBOSA-N 1 0 396.378 2.915 20 0 GFADRO Cc1cc(F)c(Br)cc1S(=O)(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000624412139 565556945 /nfs/dbraw/zinc/55/69/45/565556945.db2.gz KKLBCDZDLBWUMX-GASCZTMLSA-N 1 0 391.306 2.517 20 0 GFADRO COc1cc(Br)c(NC(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)cc1OC ZINC000666919599 565562361 /nfs/dbraw/zinc/56/23/61/565562361.db2.gz KJXBGAGMJKFNTA-ZWNOBZJWSA-N 1 0 384.274 2.682 20 0 GFADRO Cc1ccc(NC(=O)C(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)c(Br)c1 ZINC000645820397 565565080 /nfs/dbraw/zinc/56/50/80/565565080.db2.gz UUOIQQYLDZYOBK-GOSISDBHSA-N 1 0 394.313 2.640 20 0 GFADRO COc1ccc(C(=O)N2CCC[N@H+](C[C@@H]3CCCO3)CC2)c(Br)c1 ZINC000624609609 565565904 /nfs/dbraw/zinc/56/59/04/565565904.db2.gz CMISFBXXIVTMLB-HNNXBMFYSA-N 1 0 397.313 2.785 20 0 GFADRO CC[C@@H]1C[N@H+](C)CCCN1C(=O)c1cc(Br)cc(C(=O)OC)c1 ZINC000597605187 565567687 /nfs/dbraw/zinc/56/76/87/565567687.db2.gz NVXJYDYWHZFZAE-OAHLLOKOSA-N 1 0 383.286 2.792 20 0 GFADRO [NH3+][C@@H]1CCCC[C@@H]1CC(=O)NCc1nnc(-c2ccc(Br)cc2)[nH]1 ZINC000645871642 565569210 /nfs/dbraw/zinc/56/92/10/565569210.db2.gz VRRCDWKFOLUYSI-TZMCWYRMSA-N 1 0 392.301 2.758 20 0 GFADRO CCC1([NH+]2CCOCC2)CCN(c2nc(C)nc(C)c2Br)CC1 ZINC000624704528 565572004 /nfs/dbraw/zinc/57/20/04/565572004.db2.gz WSNNESJTCBQPDD-UHFFFAOYSA-N 1 0 383.334 2.937 20 0 GFADRO Cc1c(Br)ccnc1NC(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000667166539 565573728 /nfs/dbraw/zinc/57/37/28/565573728.db2.gz ADBZFTQNGSQEBI-CYBMUJFWSA-N 1 0 385.306 2.727 20 0 GFADRO COCC[NH+]1CCC(NC(=O)Cc2c(Cl)cccc2Br)CC1 ZINC000667226210 565577844 /nfs/dbraw/zinc/57/78/44/565577844.db2.gz ABQHJWABDFCGGS-UHFFFAOYSA-N 1 0 389.721 2.872 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)Cc1ccccc1I ZINC000597856796 565578837 /nfs/dbraw/zinc/57/88/37/565578837.db2.gz AGWMOWNMSDORTP-ZDUSSCGKSA-N 1 0 386.277 2.823 20 0 GFADRO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)Nc1ccccc1SCC(F)(F)F ZINC000667336233 565581084 /nfs/dbraw/zinc/58/10/84/565581084.db2.gz HJUXWMRXBDUNKP-LLVKDONJSA-N 1 0 377.432 2.769 20 0 GFADRO C[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCN(c3ccc(Cl)c(Cl)c3)C1=O)C2 ZINC000646020514 565582290 /nfs/dbraw/zinc/58/22/90/565582290.db2.gz LTADUCFJKIMHEH-ZDUSSCGKSA-N 1 0 382.291 2.510 20 0 GFADRO CC(=O)NCC[N@H+](C)CCCC(=O)Nc1c(C)cc(Br)cc1C ZINC000646047356 565585392 /nfs/dbraw/zinc/58/53/92/565585392.db2.gz QLDVKOOPWARXCU-UHFFFAOYSA-N 1 0 384.318 2.853 20 0 GFADRO Cc1c(F)c(Br)ccc1NC(=O)NCCC[N@@H+](C)CCN(C)C ZINC000667504521 565591469 /nfs/dbraw/zinc/59/14/69/565591469.db2.gz VRXQXWAAYKALJT-UHFFFAOYSA-N 1 0 389.313 2.902 20 0 GFADRO Cc1ncc(C[NH+]2CCC(C(=O)Nc3ccc(Br)cn3)CC2)n1C ZINC000667531194 565593423 /nfs/dbraw/zinc/59/34/23/565593423.db2.gz ZPCFLSLWEJUCCS-UHFFFAOYSA-N 1 0 392.301 2.737 20 0 GFADRO CC[C@H]1CN(C(=O)C(=O)Nc2ccc(Br)c(Cl)c2)CC[C@H]1[NH3+] ZINC000667546032 565593518 /nfs/dbraw/zinc/59/35/18/565593518.db2.gz CURJCHIRFULKMD-TVQRCGJNSA-N 1 0 388.693 2.627 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)N1CN(CC[NH+](C)C)C(=O)[C@@H]1C ZINC000646309988 565595481 /nfs/dbraw/zinc/59/54/81/565595481.db2.gz OLHAIGFWNZRWCI-LBPRGKRZSA-N 1 0 397.317 2.595 20 0 GFADRO CCC(F)(F)C(C)(C)CS(=O)(=O)N1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000625080208 565596301 /nfs/dbraw/zinc/59/63/01/565596301.db2.gz MWYYNAPUZRRQBI-RBSFLKMASA-N 1 0 382.517 2.571 20 0 GFADRO O=C1Nc2ccc(Br)cc2CC[C@@H]1N1CC[C@H]([NH+]2CCCC2)C1 ZINC000625131991 565600832 /nfs/dbraw/zinc/60/08/32/565600832.db2.gz QLVINJPOLYIMBJ-RDJZCZTQSA-N 1 0 378.314 2.873 20 0 GFADRO CC(=O)NCc1ccc(-c2nc(NC(=O)[C@H](C)[NH2+]C3CC3)sc2C)s1 ZINC000646420896 565602480 /nfs/dbraw/zinc/60/24/80/565602480.db2.gz KPHPCBCCICRENT-VIFPVBQESA-N 1 0 378.523 2.895 20 0 GFADRO CCN1C(=O)[C@H]2C[N@H+](Cc3cc4cc(Br)ccc4o3)CCN2C1=O ZINC000667695320 565603065 /nfs/dbraw/zinc/60/30/65/565603065.db2.gz PBEMPEBQTWQXOL-CQSZACIVSA-N 1 0 392.253 2.664 20 0 GFADRO CN(Cc1ccccc1Br)C(=O)CC[NH2+][C@@H]1CO[C@H](C2CC2)C1 ZINC000667861755 565607525 /nfs/dbraw/zinc/60/75/25/565607525.db2.gz AZCRGUZHFMSQDY-RDJZCZTQSA-N 1 0 381.314 2.955 20 0 GFADRO O=C(CC[C@@H]1CCC[NH2+]1)NCc1nc(-c2cccc(Br)c2)no1 ZINC000646556372 565608070 /nfs/dbraw/zinc/60/80/70/565608070.db2.gz VIGQIBGRGAFIMD-ZDUSSCGKSA-N 1 0 379.258 2.648 20 0 GFADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)Nc1cccc(Br)c1F ZINC000667920578 565613793 /nfs/dbraw/zinc/61/37/93/565613793.db2.gz GMIGHKOAQUBZMT-LBPRGKRZSA-N 1 0 387.297 2.736 20 0 GFADRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1cc(Br)cc2[nH]c(=O)[nH]c21 ZINC000646741842 565616529 /nfs/dbraw/zinc/61/65/29/565616529.db2.gz JJZSEIMNWMZGTD-WDEREUQCSA-N 1 0 395.301 2.881 20 0 GFADRO CCCN(C(=O)C(=O)Nc1nc(-c2cccs2)cs1)[C@@H]1CC[N@H+](C)C1 ZINC000646765532 565617879 /nfs/dbraw/zinc/61/78/79/565617879.db2.gz DLRSUSCZIAMBMN-GFCCVEGCSA-N 1 0 378.523 2.753 20 0 GFADRO C[C@@H]1CCCN(C(=O)CNC(=O)c2sc3ccccc3c2Cl)[C@H]1C[NH3+] ZINC000646772728 565618271 /nfs/dbraw/zinc/61/82/71/565618271.db2.gz WBCYANJAZCOJBJ-YPMHNXCESA-N 1 0 379.913 2.870 20 0 GFADRO C[C@@H]1CCCN(C(=O)[C@@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)[C@H]1C[NH3+] ZINC000646771382 565618404 /nfs/dbraw/zinc/61/84/04/565618404.db2.gz SKYPNEYVHDIUGD-FFSVYQOJSA-N 1 0 384.307 2.932 20 0 GFADRO O=S(=O)(NC[C@@H]1CC[N@@H+]1C1CCCCC1)c1ncccc1Br ZINC000625367011 565623014 /nfs/dbraw/zinc/62/30/14/565623014.db2.gz MHRIZVUOMCYDAR-ZDUSSCGKSA-N 1 0 388.331 2.529 20 0 GFADRO Cc1sc2nc(C)nc(SCC(=O)N3CC[C@@H]4C[N@@H+](C)C[C@H]43)c2c1C ZINC000646934898 565626888 /nfs/dbraw/zinc/62/68/88/565626888.db2.gz XMSNAJFARTYTOE-ZIAGYGMSSA-N 1 0 376.551 2.871 20 0 GFADRO CC1([NH3+])CCN(C(=O)c2ncc(Br)cc2Br)CC1 ZINC000646993656 565630939 /nfs/dbraw/zinc/63/09/39/565630939.db2.gz CUMISBFJFGZEFI-UHFFFAOYSA-N 1 0 377.080 2.560 20 0 GFADRO CC[C@@H]1CN(C(=O)c2ccc(-n3cc(Br)cn3)cc2)CC[C@H]1[NH3+] ZINC000647005985 565632070 /nfs/dbraw/zinc/63/20/70/565632070.db2.gz IRMDZRSLGUMFJL-MLGOLLRUSA-N 1 0 377.286 2.834 20 0 GFADRO CC[C@@H]1CN(C(=O)C2CCN(C(=O)c3ccc(Cl)s3)CC2)CC[C@@H]1[NH3+] ZINC000647009309 565632147 /nfs/dbraw/zinc/63/21/47/565632147.db2.gz AVTPTMGUHBJQEK-OCCSQVGLSA-N 1 0 383.945 2.840 20 0 GFADRO CN(C(=O)[C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21)[C@H]1C[NH+]2CCC1CC2 ZINC000625484073 565634032 /nfs/dbraw/zinc/63/40/32/565634032.db2.gz ULOSGWGKFGCENX-LAVFITLUSA-N 1 0 375.310 2.887 20 0 GFADRO COCC1(CNC(=O)c2c[nH]c3ccc(Br)cc32)CC[NH2+]CC1 ZINC000647037668 565634353 /nfs/dbraw/zinc/63/43/53/565634353.db2.gz WGXIFJFICSWPRD-UHFFFAOYSA-N 1 0 380.286 2.676 20 0 GFADRO O=C(CNC(=O)c1sc2ccccc2c1Cl)N[C@@H]1CC12CC[NH2+]CC2 ZINC000647055604 565634768 /nfs/dbraw/zinc/63/47/68/565634768.db2.gz BVCIDFRVWKBDLZ-CYBMUJFWSA-N 1 0 377.897 2.543 20 0 GFADRO [NH3+]CC[C@H](NC(=O)[C@H](c1ccc(Br)cc1)N1CCCC1)C(F)F ZINC000647071346 565635457 /nfs/dbraw/zinc/63/54/57/565635457.db2.gz NZEIKTBKXSJNPD-KBPBESRZSA-N 1 0 390.272 2.685 20 0 GFADRO C[C@@H](CCC[NH3+])NC(=O)c1sccc1S(=O)(=O)NC1CCCCCC1 ZINC000647064238 565635663 /nfs/dbraw/zinc/63/56/63/565635663.db2.gz OLQRRGUKPJUKEI-ZDUSSCGKSA-N 1 0 387.571 2.606 20 0 GFADRO O=C(CC[NH+]1CCC(N2CCOCC2)CC1)Nc1ccc(Br)cc1 ZINC000625547314 565637864 /nfs/dbraw/zinc/63/78/64/565637864.db2.gz OHTATXLXAKUTKL-UHFFFAOYSA-N 1 0 396.329 2.574 20 0 GFADRO Cc1cccc(CC(=O)NC[C@@H](C(C)C)[NH+]2CCN(C)CC2)c1Br ZINC000625544473 565637894 /nfs/dbraw/zinc/63/78/94/565637894.db2.gz WJTDQSWHEGUDTJ-KRWDZBQOSA-N 1 0 396.373 2.688 20 0 GFADRO COCCN(CC[NH+](C)C)C(=O)Cc1c(Cl)cccc1Br ZINC000668309092 565638471 /nfs/dbraw/zinc/63/84/71/565638471.db2.gz SLSBEXSKWXRASX-UHFFFAOYSA-N 1 0 377.710 2.682 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)C(=O)NCCc1ccc(Cl)cc1Cl ZINC000668342286 565641115 /nfs/dbraw/zinc/64/11/15/565641115.db2.gz HRSRBUDVTWOWGG-AWEZNQCLSA-N 1 0 386.323 2.641 20 0 GFADRO O=S(=O)(c1cc(-c2nc([C@H]3CCC[NH2+]3)no2)ccc1Cl)N1CCCC1 ZINC000647155547 565641341 /nfs/dbraw/zinc/64/13/41/565641341.db2.gz AHAYIQRFAMFREU-CYBMUJFWSA-N 1 0 382.873 2.599 20 0 GFADRO C[C@@H]1CN(CC[NH2+]Cc2cc(OC(F)F)ccc2Br)CCO1 ZINC000647180416 565643922 /nfs/dbraw/zinc/64/39/22/565643922.db2.gz XVDFPCMFJYHAMM-LLVKDONJSA-N 1 0 379.245 2.861 20 0 GFADRO COc1ccccc1[C@H]([NH3+])CNS(=O)(=O)c1cc(C)cc(Br)c1 ZINC000647187122 565643926 /nfs/dbraw/zinc/64/39/26/565643926.db2.gz DIZXDTPFWNYPGD-OAHLLOKOSA-N 1 0 399.310 2.744 20 0 GFADRO C[C@H]1COCCN1CC[NH2+]Cc1cc(OC(F)F)ccc1Br ZINC000647179383 565644804 /nfs/dbraw/zinc/64/48/04/565644804.db2.gz VTDZLMQLMCEBBA-NSHDSACASA-N 1 0 379.245 2.861 20 0 GFADRO O=S(=O)(Cc1ccc(Br)cc1Cl)NCC1CC[NH2+]CC1 ZINC000647188679 565645024 /nfs/dbraw/zinc/64/50/24/565645024.db2.gz CMJXJQKGWMBUBM-UHFFFAOYSA-N 1 0 381.723 2.522 20 0 GFADRO CCNC(=O)N1CC[C@H]([NH2+]Cc2cc(OC(F)F)ccc2Br)C1 ZINC000647192417 565645561 /nfs/dbraw/zinc/64/55/61/565645561.db2.gz FLVOAMNCJAQFAQ-NSHDSACASA-N 1 0 392.244 2.944 20 0 GFADRO C[C@H]([NH2+]Cc1cc(OC(F)F)ccc1Br)[C@H]1CN(C)CCO1 ZINC000647193497 565645667 /nfs/dbraw/zinc/64/56/67/565645667.db2.gz CCDJZFFERVDODJ-IINYFYTJSA-N 1 0 379.245 2.859 20 0 GFADRO COCC[N@@H+]1CC[C@H](NC(=O)c2cc(-c3ccc(Br)cc3)no2)C1 ZINC000668435883 565646704 /nfs/dbraw/zinc/64/67/04/565646704.db2.gz QTPXWXAFIJPKCB-AWEZNQCLSA-N 1 0 394.269 2.555 20 0 GFADRO O=S(=O)(c1cc(F)ccc1OC(F)F)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647238105 565648665 /nfs/dbraw/zinc/64/86/65/565648665.db2.gz FEYKGIYGOQVJPQ-WCQYABFASA-N 1 0 378.416 2.580 20 0 GFADRO O=S(=O)(c1cc(Cl)c(Br)cc1F)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000647263897 565650485 /nfs/dbraw/zinc/65/04/85/565650485.db2.gz HTJBUJPRHSVUKJ-PRHODGIISA-N 1 0 397.697 2.614 20 0 GFADRO COC(=O)CC1CCC([NH2+][C@@H](C(N)=O)c2cccc(Br)c2)CC1 ZINC000599046337 565654063 /nfs/dbraw/zinc/65/40/63/565654063.db2.gz OJXVIDHZKQYKRG-HFLCMSJXSA-N 1 0 383.286 2.687 20 0 GFADRO O=S(=O)(c1ccc(Br)cc1)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647307209 565655765 /nfs/dbraw/zinc/65/57/65/565655765.db2.gz VGJYGYKRRWZGLK-KGLIPLIRSA-N 1 0 387.343 2.849 20 0 GFADRO COc1ccc(S(=O)(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)c(Cl)c1Cl ZINC000647309210 565656719 /nfs/dbraw/zinc/65/67/19/565656719.db2.gz CMZTWPQQQSUVKA-PHIMTYICSA-N 1 0 379.309 2.622 20 0 GFADRO COC[C@H](C)OC[C@@H](O)C[NH2+][C@H](C)c1cc(F)c(Br)cc1F ZINC000625749901 565656931 /nfs/dbraw/zinc/65/69/31/565656931.db2.gz AVMDMYBSZDDPIB-AXFHLTTASA-N 1 0 382.245 2.790 20 0 GFADRO COCc1cc(Cl)cc(S(=O)(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000647307973 565657079 /nfs/dbraw/zinc/65/70/79/565657079.db2.gz HYYGRUXVSVWBDE-CVEARBPZSA-N 1 0 386.945 2.887 20 0 GFADRO C[C@H]([NH3+])C[C@H](C)NS(=O)(=O)c1ccc(Br)cc1C(F)(F)F ZINC000647335850 565657913 /nfs/dbraw/zinc/65/79/13/565657913.db2.gz XYXCKKOUNSBSOF-YUMQZZPRSA-N 1 0 389.237 2.872 20 0 GFADRO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CC(C)(C)[C@]1(O)CCOC1 ZINC000647341132 565658347 /nfs/dbraw/zinc/65/83/47/565658347.db2.gz SNYVHBMKYVVRPL-ACJLOTCBSA-N 1 0 399.329 2.933 20 0 GFADRO CC(C)N1CCC[C@@H]([NH2+][C@]2(CO)CCc3cc(Br)ccc3C2)C1=O ZINC000625795387 565659472 /nfs/dbraw/zinc/65/94/72/565659472.db2.gz TZLPHGLHPROIKH-IEBWSBKVSA-N 1 0 395.341 2.658 20 0 GFADRO CC(C)CNC(=O)CCC[NH2+][C@@]1(CO)CCc2cc(Br)ccc2C1 ZINC000625796993 565660650 /nfs/dbraw/zinc/66/06/50/565660650.db2.gz PKGAUSBIIJWURH-IBGZPJMESA-N 1 0 397.357 2.811 20 0 GFADRO CC(C)Cn1ncnc1C[NH2+][C@@]1(CO)CCc2cc(Br)ccc2C1 ZINC000625797676 565660708 /nfs/dbraw/zinc/66/07/08/565660708.db2.gz XXWPHAZGNAKNME-SFHVURJKSA-N 1 0 393.329 2.706 20 0 GFADRO COc1ncccc1C[NH2+][C@]1(CO)CCc2cc(Br)ccc2C1 ZINC000625796946 565660849 /nfs/dbraw/zinc/66/08/49/565660849.db2.gz OCSGXHVDOGVXFM-GOSISDBHSA-N 1 0 377.282 2.862 20 0 GFADRO NC(=O)c1cn(C2CC[NH+](CCCSc3ccccc3Cl)CC2)nn1 ZINC000625807419 565661708 /nfs/dbraw/zinc/66/17/08/565661708.db2.gz QCVOVNLBYGJRAI-UHFFFAOYSA-N 1 0 379.917 2.850 20 0 GFADRO [NH3+]C1(CNC(=O)Nc2cc(Cl)ccc2OCC(F)(F)F)CCOCC1 ZINC000625841955 565662542 /nfs/dbraw/zinc/66/25/42/565662542.db2.gz TVIFGOVKHKKQQP-UHFFFAOYSA-N 1 0 381.782 2.911 20 0 GFADRO O[C@H](C[NH2+]C[C@@H]1CC[C@H](O)C1)COc1ccc(Cl)cc1Br ZINC000647528841 565663007 /nfs/dbraw/zinc/66/30/07/565663007.db2.gz JYMUWTBFPDYARP-KGYLQXTDSA-N 1 0 378.694 2.593 20 0 GFADRO Brc1cnc(CN2CC[C@@H]3CC[NH2+][C@H]3C2)c(Br)c1 ZINC000647533914 565663490 /nfs/dbraw/zinc/66/34/90/565663490.db2.gz AFZWHQMXOYZWIH-CABZTGNLSA-N 1 0 375.108 2.790 20 0 GFADRO [NH3+]CC1(NC(=O)Nc2cc(Br)c(F)cc2Cl)CCOCC1 ZINC000625866650 565663910 /nfs/dbraw/zinc/66/39/10/565663910.db2.gz GUNAKHHQAUSBTF-UHFFFAOYSA-N 1 0 380.645 2.871 20 0 GFADRO C[C@H]1CC[C@@H](NC(=O)Nc2ccnn2Cc2ccccc2Br)C[NH2+]1 ZINC000625880630 565664353 /nfs/dbraw/zinc/66/43/53/565664353.db2.gz GPFDAZLFUHZOSM-GXTWGEPZSA-N 1 0 392.301 2.956 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)c(C)c1C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000647697751 565672039 /nfs/dbraw/zinc/67/20/39/565672039.db2.gz ICAROFREAPOWHL-CQSZACIVSA-N 1 0 391.313 2.981 20 0 GFADRO C[C@H](Sc1cc(Cl)ccc1Cl)C(=O)N(C)CCN1CC[NH2+]CC1 ZINC000647774417 565675891 /nfs/dbraw/zinc/67/58/91/565675891.db2.gz BTRJGWYERPRHAW-LBPRGKRZSA-N 1 0 376.353 2.838 20 0 GFADRO O=S(=O)(c1ccc(Cl)cc1)N1CCN(c2[nH+]ccc3[nH]ccc32)CC1 ZINC000647845901 565680127 /nfs/dbraw/zinc/68/01/27/565680127.db2.gz DZVBJPQFUNFJEY-UHFFFAOYSA-N 1 0 376.869 2.727 20 0 GFADRO CCN(C(=O)C(=O)NCCCc1ccc(Cl)cc1Cl)[C@H]1CC[N@H+](C)C1 ZINC000669281338 565683739 /nfs/dbraw/zinc/68/37/39/565683739.db2.gz MBNKYGWEJUYHDJ-HNNXBMFYSA-N 1 0 386.323 2.595 20 0 GFADRO COCC1([NH2+]CC(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)CCOCC1 ZINC000647951888 565684899 /nfs/dbraw/zinc/68/48/99/565684899.db2.gz CDKGWLDZFISOCP-LBPRGKRZSA-N 1 0 375.296 2.956 20 0 GFADRO CC[NH+](CC)[C@H]1CCN(C(=O)[C@@H]2CCO[C@H]2c2cncc(Br)c2)C1 ZINC000669359131 565685505 /nfs/dbraw/zinc/68/55/05/565685505.db2.gz HXYXFVLIFGEVNC-BBWFWOEESA-N 1 0 396.329 2.864 20 0 GFADRO CC(C)C[C@H](NC(=O)Cc1cc(Cl)cc(Cl)c1)C(=O)NCC[NH+](C)C ZINC000626285070 565686351 /nfs/dbraw/zinc/68/63/51/565686351.db2.gz SYLDVBDXQRGKGI-INIZCTEOSA-N 1 0 388.339 2.745 20 0 GFADRO O=C(Nc1ccc(Cl)cc1Cl)[C@@H]1CCCCN1C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000647991693 565686836 /nfs/dbraw/zinc/68/68/36/565686836.db2.gz YYWWBAKBVDTCDA-SHUKQUCYSA-N 1 0 382.291 2.778 20 0 GFADRO [NH3+]C[C@H]1CCCN(C(=O)NC[C@@H]2CCN(c3cccc(Br)c3)C2)C1 ZINC000669411036 565688434 /nfs/dbraw/zinc/68/84/34/565688434.db2.gz PGIDVEBOSKFSBW-CABCVRRESA-N 1 0 395.345 2.656 20 0 GFADRO C[C@@H]1CC[C@H](NC(=O)Nc2cc(F)c(I)c(F)c2)C[NH2+]1 ZINC000599598080 565691465 /nfs/dbraw/zinc/69/14/65/565691465.db2.gz NUIOGFYCYBGYGC-SFYZADRCSA-N 1 0 395.191 2.831 20 0 GFADRO CC[C@@H]1CN(C(=O)NCc2cn3cc(Br)cc(C)c3n2)CC[C@@H]1[NH3+] ZINC000669559430 565692237 /nfs/dbraw/zinc/69/22/37/565692237.db2.gz ZZUGYOFJVGSFAS-DOMZBBRYSA-N 1 0 394.317 2.674 20 0 GFADRO COc1cc(Br)ccc1CCCNC(=O)c1csc(CC[NH3+])n1 ZINC000648165003 565692738 /nfs/dbraw/zinc/69/27/38/565692738.db2.gz SYZRLBHNWMKTSI-UHFFFAOYSA-N 1 0 398.326 2.778 20 0 GFADRO COC(=O)c1c(C)csc1NC(=O)N1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000599604110 565692799 /nfs/dbraw/zinc/69/27/99/565692799.db2.gz LLSYXIDHYMDCIJ-VHSXEESVSA-N 1 0 379.404 2.834 20 0 GFADRO C[C@@H]1CC[C@H](NC(=O)Nc2ccc(I)cc2F)C[NH2+]1 ZINC000599607075 565692963 /nfs/dbraw/zinc/69/29/63/565692963.db2.gz KBZWLIDZQBRJNE-SCZZXKLOSA-N 1 0 377.201 2.692 20 0 GFADRO C[C@@H](CNC(=O)CCn1cc(Br)cn1)[N@H+](C)Cc1ccccc1 ZINC000599630731 565694113 /nfs/dbraw/zinc/69/41/13/565694113.db2.gz BRDYGKPKNKDHFX-AWEZNQCLSA-N 1 0 379.302 2.672 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CN(C(=O)NCC2(c3ccccc3Br)CCC2)CCO1 ZINC000669590244 565694208 /nfs/dbraw/zinc/69/42/08/565694208.db2.gz NXCQDBGWPYEMIE-CJNGLKHVSA-N 1 0 396.329 2.628 20 0 GFADRO O=C(NCC[N@H+]1CC[C@@H](O)C1)Nc1ccc(Br)c(Cl)c1Cl ZINC000626499840 565695714 /nfs/dbraw/zinc/69/57/14/565695714.db2.gz RGNIKKRTPNIANQ-MRVPVSSYSA-N 1 0 397.100 2.944 20 0 GFADRO O=S(=O)(NCC[NH2+][C@H]1CCCc2cccnc21)c1ccc(Cl)cc1F ZINC000669618681 565696012 /nfs/dbraw/zinc/69/60/12/565696012.db2.gz DRJXSUQGWDKEQF-HNNXBMFYSA-N 1 0 383.876 2.820 20 0 GFADRO COC(=O)CCN1CCN(C(=O)c2sc3ncccc3c2Cl)C[C@H]1C ZINC000599729123 565698112 /nfs/dbraw/zinc/69/81/12/565698112.db2.gz WFCJOWPMVQHGCP-LLVKDONJSA-N 1 0 381.885 2.659 20 0 GFADRO C[C@H](CC(=O)N(CC[NH+](C)C)Cc1ccco1)n1cc(Br)cn1 ZINC000648319965 565702362 /nfs/dbraw/zinc/70/23/62/565702362.db2.gz JLOHSLGJRPQWAW-CYBMUJFWSA-N 1 0 383.290 2.780 20 0 GFADRO CN(C(=O)c1cnn(-c2ccc(Br)cc2)c1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000599869266 565704796 /nfs/dbraw/zinc/70/47/96/565704796.db2.gz OIYNLTLCIQIQLO-KRWDZBQOSA-N 1 0 389.297 2.944 20 0 GFADRO O=C(CSCc1ccc(Cl)cc1Cl)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000599937318 565707169 /nfs/dbraw/zinc/70/71/69/565707169.db2.gz HIFCFNDHBCGAHZ-LSDHHAIUSA-N 1 0 389.348 2.894 20 0 GFADRO CC[NH+](CC)CC[C@H](CO)NC(=O)[C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21 ZINC000626810459 565712465 /nfs/dbraw/zinc/71/24/65/565712465.db2.gz DRRPYGQJTJXAJT-ZYRRHWMLSA-N 1 0 395.341 2.544 20 0 GFADRO CCN(CC[NH3+])C(=O)C(=O)Nc1ccc(Br)c(Cl)c1Cl ZINC000626853384 565713481 /nfs/dbraw/zinc/71/34/81/565713481.db2.gz YDDHLIMWVDTLLK-UHFFFAOYSA-N 1 0 383.073 2.502 20 0 GFADRO CC(C)[C@H]1C[NH2+]CCN1C(=O)C(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000626844672 565713491 /nfs/dbraw/zinc/71/34/91/565713491.db2.gz OHNDQQCQBQJLBE-CYBMUJFWSA-N 1 0 377.794 2.754 20 0 GFADRO COc1cc(C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)ccc1Br ZINC000626932347 565715994 /nfs/dbraw/zinc/71/59/94/565715994.db2.gz LKUARZNIAZVQRN-CQSZACIVSA-N 1 0 397.313 2.642 20 0 GFADRO C[NH2+]CCOCCN(C)C(=O)N[C@H](C)CCc1ccc(Br)cc1 ZINC000626945262 565716150 /nfs/dbraw/zinc/71/61/50/565716150.db2.gz AIXGQULAHSMOMQ-CQSZACIVSA-N 1 0 386.334 2.648 20 0 GFADRO C[C@@H]1CC[C@@H](NC(=O)NC[C@H]2CCN(c3cccc(Br)c3)C2)C[NH2+]1 ZINC000626948715 565716272 /nfs/dbraw/zinc/71/62/72/565716272.db2.gz KYVKDLQDSKUDNU-IIAWOOMASA-N 1 0 395.345 2.715 20 0 GFADRO CC[C@@H](C)[N@H+](CCO)Cc1cc(I)c(OC)c(OC)c1 ZINC000600170643 565716732 /nfs/dbraw/zinc/71/67/32/565716732.db2.gz ZLWQVZSLESIEON-LLVKDONJSA-N 1 0 393.265 2.901 20 0 GFADRO C[C@H](CNC(=O)N[C@H]1CC[NH2+]C12CCC2)Oc1ccc(Br)cc1 ZINC000626989818 565718032 /nfs/dbraw/zinc/71/80/32/565718032.db2.gz KWJSPKCYXJQCMB-DOMZBBRYSA-N 1 0 382.302 2.800 20 0 GFADRO O=S(=O)(C1CC[NH+](Cc2cc3cc(Cl)cnc3o2)CC1)N1CCCC1 ZINC000648568458 565718128 /nfs/dbraw/zinc/71/81/28/565718128.db2.gz ZQUXTSGEIVZLDM-UHFFFAOYSA-N 1 0 383.901 2.871 20 0 GFADRO COc1cc(Br)ccc1CCCNC(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000627012577 565718936 /nfs/dbraw/zinc/71/89/36/565718936.db2.gz BPUKGKRCAVEUSU-DOMZBBRYSA-N 1 0 384.318 2.830 20 0 GFADRO C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)N[C@@H]1COc3cc(F)c(Br)cc31)C2 ZINC000627029110 565720663 /nfs/dbraw/zinc/72/06/63/565720663.db2.gz QIVYJVBRVBZVKK-XYPHTWIQSA-N 1 0 398.276 2.663 20 0 GFADRO COC[C@]1(CNC(=O)N2CC3(CC3)c3ccc(Br)cc32)CCC[NH2+]1 ZINC000627092811 565721426 /nfs/dbraw/zinc/72/14/26/565721426.db2.gz XJLDATQPKSQJSN-GOSISDBHSA-N 1 0 394.313 2.779 20 0 GFADRO C[C@H](CN(C)C(=O)NCC1([NH3+])CCOCC1)Oc1ccc(Cl)c(Cl)c1 ZINC000627149849 565723957 /nfs/dbraw/zinc/72/39/57/565723957.db2.gz QYDUHFLRJQNNIU-GFCCVEGCSA-N 1 0 390.311 2.910 20 0 GFADRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCOC[C@@H]1c1ccc(Br)cc1 ZINC000627158277 565723991 /nfs/dbraw/zinc/72/39/91/565723991.db2.gz PMCPCAWIMMSQRJ-ARFHVFGLSA-N 1 0 382.302 2.673 20 0 GFADRO C[C@@H]1CC[C@@H](NC(=O)N[C@H](CO)c2ccc(Cl)cc2C(F)(F)F)C[NH2+]1 ZINC000627201802 565725895 /nfs/dbraw/zinc/72/58/95/565725895.db2.gz DOBHSSICKVFNLN-GLXFQSAKSA-N 1 0 379.810 2.832 20 0 GFADRO CC[C@@H](CN(C)C(=O)NC[C@H]1COCC[NH2+]1)Oc1ccc(Cl)c(Cl)c1 ZINC000627188121 565726281 /nfs/dbraw/zinc/72/62/81/565726281.db2.gz LLBGCWPQKZJMDR-STQMWFEESA-N 1 0 390.311 2.781 20 0 GFADRO CC[C@@H](CN(C)C(=O)NC[C@@H]1COCC[NH2+]1)Oc1ccc(Cl)c(Cl)c1 ZINC000627188119 565726484 /nfs/dbraw/zinc/72/64/84/565726484.db2.gz LLBGCWPQKZJMDR-OLZOCXBDSA-N 1 0 390.311 2.781 20 0 GFADRO [NH3+]CCCOCCNC(=O)N1CCC[C@H]1c1ccc(Br)c(F)c1 ZINC000627217929 565727264 /nfs/dbraw/zinc/72/72/64/565727264.db2.gz XJEKUTKBSGXOMM-HNNXBMFYSA-N 1 0 388.281 2.800 20 0 GFADRO [NH3+]CCCOCCNC(=O)N1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000627214801 565727307 /nfs/dbraw/zinc/72/73/07/565727307.db2.gz AFUPNRNQEMFCHM-ZDUSSCGKSA-N 1 0 376.284 2.522 20 0 GFADRO CN(C(=O)c1c2ccc(Br)cc2nn1C)[C@H]1C[NH+]2CCC1CC2 ZINC000648779285 565728077 /nfs/dbraw/zinc/72/80/77/565728077.db2.gz IIIZTWYJFMFQKX-HNNXBMFYSA-N 1 0 377.286 2.502 20 0 GFADRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)N(Cc1cccc(Br)c1)C1CCOCC1 ZINC000627241789 565728534 /nfs/dbraw/zinc/72/85/34/565728534.db2.gz JNMGFMLJUDARIW-SUMWQHHRSA-N 1 0 396.329 2.890 20 0 GFADRO O=C(c1cc(Cl)c(F)cc1Br)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000627269167 565730021 /nfs/dbraw/zinc/73/00/21/565730021.db2.gz OFONKJURKICGSB-ZJUUUORDSA-N 1 0 391.668 2.523 20 0 GFADRO O=C(c1cc2ccc(Br)cc2s1)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000627269519 565730396 /nfs/dbraw/zinc/73/03/96/565730396.db2.gz TZOBEMQJYJFAML-ZIAGYGMSSA-N 1 0 395.322 2.945 20 0 GFADRO C[C@@H](CC(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1)n1cc(Br)cn1 ZINC000648806138 565731007 /nfs/dbraw/zinc/73/10/07/565731007.db2.gz YPVNLYYKAVDUTN-DZGCQCFKSA-N 1 0 383.334 2.787 20 0 GFADRO CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)NCCSc2ccc(Cl)cc2)C1 ZINC000670677771 565736333 /nfs/dbraw/zinc/73/63/33/565736333.db2.gz DAWMCHGOHDOIAD-HNNXBMFYSA-N 1 0 383.945 2.537 20 0 GFADRO O=C(NC[C@@H]1CCC[N@H+]1CCCO)c1ccc(OC(F)(F)F)c(Cl)c1 ZINC000627569848 565740788 /nfs/dbraw/zinc/74/07/88/565740788.db2.gz LIVCZGQKWPWJAU-LBPRGKRZSA-N 1 0 380.794 2.815 20 0 GFADRO CCCN(C(=O)COc1ccc(Br)cc1C(C)=O)[C@H]1CC[N@H+](C)C1 ZINC000648996664 565743918 /nfs/dbraw/zinc/74/39/18/565743918.db2.gz XPVNXODJTJVBOQ-HNNXBMFYSA-N 1 0 397.313 2.973 20 0 GFADRO C[NH+](C)[C@@H]1[C@H]2CN(C(=O)CCNc3ncc(C(F)(F)F)cc3Cl)C[C@H]21 ZINC000627650556 565745119 /nfs/dbraw/zinc/74/51/19/565745119.db2.gz MWRMWVLOZZGEEF-YABSGUDNSA-N 1 0 376.810 2.574 20 0 GFADRO C[C@@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)c1c(Br)cnn1C ZINC000649039999 565745174 /nfs/dbraw/zinc/74/51/74/565745174.db2.gz LRJBMCNIZIOGLF-CQSZACIVSA-N 1 0 391.313 2.919 20 0 GFADRO COCC[C@H](Cc1cccc(Br)c1)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000627651298 565745511 /nfs/dbraw/zinc/74/55/11/565745511.db2.gz MEVXNRWNQBKYHP-BGTYHANMSA-N 1 0 395.341 2.663 20 0 GFADRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000649068677 565746405 /nfs/dbraw/zinc/74/64/05/565746405.db2.gz LGHKXFQIKYVQPQ-KWCYVHTRSA-N 1 0 384.307 2.675 20 0 GFADRO COC1CC[NH+](CCNC(=O)c2cc3c(Br)cccc3cn2)CC1 ZINC000649087531 565747182 /nfs/dbraw/zinc/74/71/82/565747182.db2.gz QYKRNVRKASBNDC-UHFFFAOYSA-N 1 0 392.297 2.838 20 0 GFADRO O=C(c1ccc(Br)cc1F)N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000627738101 565749289 /nfs/dbraw/zinc/74/92/89/565749289.db2.gz SCOOTENNPQOKTA-UHFFFAOYSA-N 1 0 385.277 2.915 20 0 GFADRO C[NH+]1CCC2(CC1)CN(C(=O)c1c[nH]nc1-c1ccc(Cl)s1)CCO2 ZINC000649130589 565749609 /nfs/dbraw/zinc/74/96/09/565749609.db2.gz MWOSXXJKRBHCBM-UHFFFAOYSA-N 1 0 380.901 2.728 20 0 GFADRO Brc1cccc(-c2cnc(CN3CC[C@@H](N4CC[NH2+]CC4)C3)o2)c1 ZINC000649419090 565760480 /nfs/dbraw/zinc/76/04/80/565760480.db2.gz DNPIRPVQNBZYPF-MRXNPFEDSA-N 1 0 391.313 2.584 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC000600986248 565761190 /nfs/dbraw/zinc/76/11/90/565761190.db2.gz MYIURCFSVCGHQP-HNNXBMFYSA-N 1 0 382.302 2.687 20 0 GFADRO Cc1ccc(NC(=O)C(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)cc1Br ZINC000627905715 565761318 /nfs/dbraw/zinc/76/13/18/565761318.db2.gz VHYRBJPGUMJXGW-OAHLLOKOSA-N 1 0 394.313 2.829 20 0 GFADRO O=C(NC[C@H]1CC[N@@H+]1C1CCCC1)C(=O)Nc1cc(F)ccc1Br ZINC000627906994 565761980 /nfs/dbraw/zinc/76/19/80/565761980.db2.gz LVHFAXLTQFMKFK-CYBMUJFWSA-N 1 0 398.276 2.660 20 0 GFADRO O[C@@H](C[NH2+]C1(c2ccccc2Br)CCC1)COC[C@H]1CCCO1 ZINC000649645851 565770675 /nfs/dbraw/zinc/77/06/75/565770675.db2.gz KNOCNGOCTYHPDS-LSDHHAIUSA-N 1 0 384.314 2.974 20 0 GFADRO Cc1ncc(C[N@@H+]2CCC[C@H](C(=O)Nc3ccc(Br)cn3)C2)o1 ZINC000628143903 565776234 /nfs/dbraw/zinc/77/62/34/565776234.db2.gz GDNHBVDKFAKLPU-LBPRGKRZSA-N 1 0 379.258 2.991 20 0 GFADRO O=C(CC[NH+]1CCC(Cn2cnnc2)CC1)Nc1ccc(Br)cc1 ZINC000649786462 565777904 /nfs/dbraw/zinc/77/79/04/565777904.db2.gz NGJUOPOSOVIASP-UHFFFAOYSA-N 1 0 392.301 2.781 20 0 GFADRO C[C@H](CO)C1CC[NH+](CC(=O)N[C@@H](C)c2ccc(Br)cc2)CC1 ZINC000649804795 565779208 /nfs/dbraw/zinc/77/92/08/565779208.db2.gz ILWOHQBLCHTVOT-KGLIPLIRSA-N 1 0 383.330 2.967 20 0 GFADRO C[C@@H](CO)C1CC[NH+](CC(=O)N(C)Cc2ccccc2Br)CC1 ZINC000649806390 565779259 /nfs/dbraw/zinc/77/92/59/565779259.db2.gz UIBKFNJXBRJWCN-AWEZNQCLSA-N 1 0 383.330 2.748 20 0 GFADRO COC[C@H]1CCN1Cc1cc(Cl)cc(Cl)c1OCCN1CCOCC1 ZINC000628294551 565783585 /nfs/dbraw/zinc/78/35/85/565783585.db2.gz XTOLXVWSQJCKDP-MRXNPFEDSA-N 1 0 389.323 2.925 20 0 GFADRO CS(=O)(=O)N1CCCC[C@@H]1C[NH2+][C@@H]1CCc2cc(Br)ccc21 ZINC000671769507 565785414 /nfs/dbraw/zinc/78/54/14/565785414.db2.gz FNZVBGBKYWZMDS-GDBMZVCRSA-N 1 0 387.343 2.840 20 0 GFADRO COCCOCC[NH+]1CCN(CCCc2ccccc2Br)CC1 ZINC000649896720 565786003 /nfs/dbraw/zinc/78/60/03/565786003.db2.gz YWLJQIJPPSEQFJ-UHFFFAOYSA-N 1 0 385.346 2.662 20 0 GFADRO Cc1ccc(I)c(C(=O)N2CCC[C@H]3C[NH2+]CC[C@H]32)c1 ZINC000601557390 565791650 /nfs/dbraw/zinc/79/16/50/565791650.db2.gz ONRLTPVBHGKHJL-SWLSCSKDSA-N 1 0 384.261 2.814 20 0 GFADRO C[N@@H+]1CCC[C@@]2(CCN(S(=O)(=O)c3cc(C(F)(F)F)ccc3[O-])C2)C1 ZINC000650019998 565792211 /nfs/dbraw/zinc/79/22/11/565792211.db2.gz GURLWNIZNWGPLO-OAHLLOKOSA-N 1 0 378.416 2.517 20 0 GFADRO O=C(c1csc(I)c1)N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000601560401 565792251 /nfs/dbraw/zinc/79/22/51/565792251.db2.gz XENWXPNLGCODAA-MWLCHTKSSA-N 1 0 376.263 2.567 20 0 GFADRO O=C(CN1CC[C@H](c2cccc(Br)c2)C1)N1CCOC[C@@H]1C1CC1 ZINC000650009853 565792313 /nfs/dbraw/zinc/79/23/13/565792313.db2.gz NBHROKUXKLHDHT-FUHWJXTLSA-N 1 0 393.325 2.876 20 0 GFADRO C[C@@H]1[C@H](C)N(C(=O)CSc2nnc(-c3cccs3)n2C)[C@@H](C)C[N@@H+]1C ZINC000650150586 565800893 /nfs/dbraw/zinc/80/08/93/565800893.db2.gz XJWMWQWGWPTAAI-XQQFMLRXSA-N 1 0 379.555 2.575 20 0 GFADRO CC(=O)c1cc(Br)ccc1OCC(=O)NC[C@H]1CCCC[N@@H+](C)C1 ZINC000628754775 565805901 /nfs/dbraw/zinc/80/59/01/565805901.db2.gz RHAZKRFCRPNGNG-CQSZACIVSA-N 1 0 397.313 2.879 20 0 GFADRO COc1ncc(Br)cc1CNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC000628794251 565807497 /nfs/dbraw/zinc/80/74/97/565807497.db2.gz FWULLAFDAIALPN-HNNXBMFYSA-N 1 0 384.318 2.979 20 0 GFADRO CC1(C)C[C@H]([NH2+]CC(=O)Nc2ccc(I)cc2)CCO1 ZINC000601964445 565810468 /nfs/dbraw/zinc/81/04/68/565810468.db2.gz QGVRCMUXDMGRPE-CYBMUJFWSA-N 1 0 388.249 2.777 20 0 GFADRO CC[C@@H]1CC[C@H]1[NH2+]CCCNS(=O)(=O)c1ccccc1Br ZINC000672613407 565813034 /nfs/dbraw/zinc/81/30/34/565813034.db2.gz OQQFFCKRZGPVRV-TZMCWYRMSA-N 1 0 375.332 2.896 20 0 GFADRO CC(C)(C[NH+]1CCCC1)NS(=O)(=O)Cc1ccc(OC(F)(F)F)cc1 ZINC000650340465 565815166 /nfs/dbraw/zinc/81/51/66/565815166.db2.gz WAKMXOGQZZFWSR-UHFFFAOYSA-N 1 0 380.432 2.879 20 0 GFADRO C[NH+](C)C[C@@H](NC(=O)COC[C@H]1CCCO1)c1ccc(Cl)c(Cl)c1 ZINC000628968172 565817469 /nfs/dbraw/zinc/81/74/69/565817469.db2.gz FMWQXDIUEIOGSP-CZUORRHYSA-N 1 0 375.296 2.908 20 0 GFADRO CC1(C)CN(C(=O)N[C@@H]2CCc3c2cccc3Br)CC[N@@H+]1CCO ZINC000672821721 565818565 /nfs/dbraw/zinc/81/85/65/565818565.db2.gz TWRGBDIYYVTCLB-MRXNPFEDSA-N 1 0 396.329 2.535 20 0 GFADRO C[C@@H](C[NH+](C)C)NC(=O)N1CCc2[nH]c3c(cccc3Br)c2C1 ZINC000673186732 565829327 /nfs/dbraw/zinc/82/93/27/565829327.db2.gz MKTMODXOAGMZGR-NSHDSACASA-N 1 0 379.302 2.948 20 0 GFADRO CCO[C@@H]1CN(Cc2cc(Br)ccc2OC(F)F)C[C@H]1C[NH3+] ZINC000650714417 565833304 /nfs/dbraw/zinc/83/33/04/565833304.db2.gz BJVJJXQXSDULOA-BXUZGUMPSA-N 1 0 379.245 2.846 20 0 GFADRO Cc1nc(C(=O)Nc2cc(Br)ccc2N2CC[NH+](C)CC2)co1 ZINC000673444024 565834746 /nfs/dbraw/zinc/83/47/46/565834746.db2.gz HXLAZSLOUBOZKH-UHFFFAOYSA-N 1 0 379.258 2.750 20 0 GFADRO O=C(c1csc(-c2cccc(Cl)c2)n1)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000673513013 565838793 /nfs/dbraw/zinc/83/87/93/565838793.db2.gz MTSNYBNYOLBDMB-GJZGRUSLSA-N 1 0 377.897 2.745 20 0 GFADRO O=C(CCSc1ccc(Br)cc1)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000673515957 565838992 /nfs/dbraw/zinc/83/89/92/565838992.db2.gz MEOZWAGWOKVBQV-GJZGRUSLSA-N 1 0 399.354 2.599 20 0 GFADRO Cc1cc(Br)cc2cc(C(=O)N3CC[C@H]([N@@H+]4CC[C@H](O)C4)C3)oc21 ZINC000673515580 565839115 /nfs/dbraw/zinc/83/91/15/565839115.db2.gz CVWQQFQPXLYKOZ-GJZGRUSLSA-N 1 0 393.281 2.785 20 0 GFADRO CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)NCCC[NH+](C(C)C)C(C)C)s1 ZINC000673628678 565843927 /nfs/dbraw/zinc/84/39/27/565843927.db2.gz OGPIJUUSGQYOOI-AWEZNQCLSA-N 1 0 389.587 2.732 20 0 GFADRO Cc1cc(C(=O)NCC[NH2+]C2CC2)c(I)cc1Cl ZINC000602427350 565847340 /nfs/dbraw/zinc/84/73/40/565847340.db2.gz FKUHKTRFKFQVHX-UHFFFAOYSA-N 1 0 378.641 2.735 20 0 GFADRO CCOC(=O)c1sc2ccsc2c1CNC(=O)[C@]1(C)C[C@@H](OC)C[NH2+]1 ZINC000602453871 565848659 /nfs/dbraw/zinc/84/86/59/565848659.db2.gz JZMWIMJBGGXVMQ-QGHHPUGFSA-N 1 0 382.507 2.523 20 0 GFADRO CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)C1([S@](C)=O)CC[NH2+]CC1 ZINC000602444596 565848663 /nfs/dbraw/zinc/84/86/63/565848663.db2.gz IYDAZOYGSXTZCM-QHCPKHFHSA-N 1 0 377.337 2.843 20 0 GFADRO COCC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCOc3ccc(Br)cc32)C1 ZINC000651273693 565852947 /nfs/dbraw/zinc/85/29/47/565852947.db2.gz VSPGQFBKZRMSTK-GJZGRUSLSA-N 1 0 397.313 2.542 20 0 GFADRO CC(C)[C@H](CNc1ccc(-c2ccc(Cl)s2)nn1)[NH+]1CCN(C)CC1 ZINC000651296860 565854237 /nfs/dbraw/zinc/85/42/37/565854237.db2.gz NJDUNJMACSEKKC-HNNXBMFYSA-N 1 0 379.961 3.542 20 0 GFADRO [NH3+]C[C@H]1CCCn2ncc(C(=O)NCc3ccc(Br)c(F)c3F)c21 ZINC000602544169 565854346 /nfs/dbraw/zinc/85/43/46/565854346.db2.gz IQIQBANRNYJSIX-SECBINFHSA-N 1 0 399.239 2.690 20 0 GFADRO CC(C)(CCS(C)(=O)=O)[NH2+]Cc1ccc(I)s1 ZINC000602558649 565854897 /nfs/dbraw/zinc/85/48/97/565854897.db2.gz CQAIJLBTFFNJHY-UHFFFAOYSA-N 1 0 387.308 2.656 20 0 GFADRO O=C(N[C@@H]1CCCSC1)N1CCN([C@H](CO)c2ccc(Cl)cc2)CC1 ZINC000674034094 565857219 /nfs/dbraw/zinc/85/72/19/565857219.db2.gz UKWPVIOWHVDPOS-IAGOWNOFSA-N 1 0 383.945 2.596 20 0 GFADRO Brc1ccccc1C[C@H]([NH2+]Cc1nnc2n1CCOC2)C1CC1 ZINC000651336570 565857841 /nfs/dbraw/zinc/85/78/41/565857841.db2.gz JSWXHZFXOSLITI-HNNXBMFYSA-N 1 0 377.286 2.682 20 0 GFADRO COc1ccc(NC(=O)CN2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1Cl ZINC000629566419 565859016 /nfs/dbraw/zinc/85/90/16/565859016.db2.gz SITJFSWQIUUKIR-JQWIXIFHSA-N 1 0 379.810 2.746 20 0 GFADRO COc1ccc(Cl)cc1NC(=O)CN1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629567193 565859084 /nfs/dbraw/zinc/85/90/84/565859084.db2.gz PAQSTGXUWNPXOS-CMPLNLGQSA-N 1 0 379.810 2.746 20 0 GFADRO CC(=O)N(c1nc(CN2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)cs1)C1CC1 ZINC000629564671 565859258 /nfs/dbraw/zinc/85/92/58/565859258.db2.gz UAXWDTYYBPWJPH-BXUZGUMPSA-N 1 0 376.448 2.618 20 0 GFADRO CC(C)Oc1cc(C(=O)NCCC[NH+]2CCC(O)CC2)ccc1Br ZINC000651357270 565859980 /nfs/dbraw/zinc/85/99/80/565859980.db2.gz QCYYSRZAQHFNJU-UHFFFAOYSA-N 1 0 399.329 2.813 20 0 GFADRO O[C@@H](CNc1cccc(Oc2ncc(Br)cn2)c1)C[NH+]1CCCC1 ZINC000629582074 565860413 /nfs/dbraw/zinc/86/04/13/565860413.db2.gz NCXQRNPCDKMEIS-HNNXBMFYSA-N 1 0 393.285 2.900 20 0 GFADRO COc1ncc(Br)cc1C[NH2+]C[C@@H](O)COc1c(C)cccc1C ZINC000629593983 565861995 /nfs/dbraw/zinc/86/19/95/565861995.db2.gz XWRRUYAFHVDWFV-MRXNPFEDSA-N 1 0 395.297 2.999 20 0 GFADRO O[C@@H](C[NH2+]C[C@@H](n1cccn1)C(F)(F)F)COCc1ccc(Cl)cc1 ZINC000629601597 565862670 /nfs/dbraw/zinc/86/26/70/565862670.db2.gz SZCMTXVKFMECCS-LSDHHAIUSA-N 1 0 377.794 2.807 20 0 GFADRO OCCC1(CCO)CC[NH+](Cc2ccc(I)cc2)CC1 ZINC000602730685 565866100 /nfs/dbraw/zinc/86/61/00/565866100.db2.gz FEFHLRFPOYSQEG-UHFFFAOYSA-N 1 0 389.277 2.638 20 0 GFADRO CC[NH+]1CCC(N(C)S(=O)(=O)c2sc(Br)cc2C)CC1 ZINC000651508780 565867134 /nfs/dbraw/zinc/86/71/34/565867134.db2.gz GDYDCWXPUQXMRH-UHFFFAOYSA-N 1 0 381.361 2.924 20 0 GFADRO COC1CC[NH+](CCNC(=O)[C@H]2C[C@H]2c2ccc(Br)cc2)CC1 ZINC000674311752 565867327 /nfs/dbraw/zinc/86/73/27/565867327.db2.gz PWOZHGRDIXFHPT-IRXDYDNUSA-N 1 0 381.314 2.780 20 0 GFADRO COC1CC[NH+](CCNC(=O)c2c[nH]c3ccc(Br)cc23)CC1 ZINC000674323310 565869239 /nfs/dbraw/zinc/86/92/39/565869239.db2.gz ASEVCCDCXVWENW-UHFFFAOYSA-N 1 0 380.286 2.771 20 0 GFADRO COC(=O)C[C@](C)([NH2+]C[C@H]1CCc2ncnn21)c1ccc(Br)cc1 ZINC000602825738 565869260 /nfs/dbraw/zinc/86/92/60/565869260.db2.gz DBYIZZJUSKRFKL-PBHICJAKSA-N 1 0 393.285 2.596 20 0 GFADRO CC[C@H](C[NH+]1CCCC1)NS(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1F ZINC000674346422 565870273 /nfs/dbraw/zinc/87/02/73/565870273.db2.gz PGXKKIBTXPEQRL-GFCCVEGCSA-N 1 0 391.896 2.590 20 0 GFADRO O=c1cc(C[NH+]2CCC(c3c[nH]cn3)CC2)nc2ccc(Br)cn12 ZINC000674372906 565871189 /nfs/dbraw/zinc/87/11/89/565871189.db2.gz GRRMQABMGKDMCU-UHFFFAOYSA-N 1 0 388.269 2.560 20 0 GFADRO CCc1ccc(-c2csc(NC(=O)C(=O)NCC[NH+]3CCCC3)n2)s1 ZINC000651573781 565874139 /nfs/dbraw/zinc/87/41/39/565874139.db2.gz HPNUGANNBVBOKT-UHFFFAOYSA-N 1 0 378.523 2.585 20 0 GFADRO COCC1(CS(=O)(=O)NC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)CCC1 ZINC000651577375 565874802 /nfs/dbraw/zinc/87/48/02/565874802.db2.gz JLUDASZDOGJKND-WBVHZDCISA-N 1 0 386.583 2.867 20 0 GFADRO Cc1onc(-c2ccc(Cl)cc2Cl)c1C(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000629915445 565875869 /nfs/dbraw/zinc/87/58/69/565875869.db2.gz BRMHYWXUMKSSKN-LBPRGKRZSA-N 1 0 384.263 2.753 20 0 GFADRO C[C@@H](NC(=O)C[N@H+](C)C1CCC1)c1cc2c(cc1Br)OCCO2 ZINC000629950721 565876496 /nfs/dbraw/zinc/87/64/96/565876496.db2.gz YJHIUZPEBUAHKN-LLVKDONJSA-N 1 0 383.286 2.882 20 0 GFADRO CC(=O)Nc1nc(C(=O)N(C)C2CC[NH+](CCC(F)(F)F)CC2)cs1 ZINC000630006447 565879698 /nfs/dbraw/zinc/87/96/98/565879698.db2.gz OSZVBQQIIZGYNE-UHFFFAOYSA-N 1 0 378.420 2.590 20 0 GFADRO C[NH2+]C1(CNC(=O)c2cnc3c(Cl)cc(Br)cc3c2O)CCC1 ZINC000630003691 565879745 /nfs/dbraw/zinc/87/97/45/565879745.db2.gz DIMVHSULHXRQQV-UHFFFAOYSA-N 1 0 398.688 2.816 20 0 GFADRO C[C@@H](C(=O)NC[C@@H](c1cccs1)[NH+](C)C)c1ccc(S(C)(=O)=O)cc1 ZINC000674665318 565880494 /nfs/dbraw/zinc/88/04/94/565880494.db2.gz RCGCIZJCYHZOTM-CJNGLKHVSA-N 1 0 380.535 2.674 20 0 GFADRO O[C@@H](C[N@H+](Cc1cccc(Br)c1)C1CC1)CC1(O)CCOCC1 ZINC000630039908 565880517 /nfs/dbraw/zinc/88/05/17/565880517.db2.gz ZJKOGGNKGJCLQW-QGZVFWFLSA-N 1 0 384.314 2.706 20 0 GFADRO CCO[C@@H](CC[NH+](C)C)CNC(=O)CCc1ccc(Br)cc1F ZINC000674687328 565880617 /nfs/dbraw/zinc/88/06/17/565880617.db2.gz JPGGBYKHBSGHEE-HNNXBMFYSA-N 1 0 389.309 2.994 20 0 GFADRO COc1nc(N2CC[C@H]([N@H+](C)Cc3ccccc3)C2)ncc1Br ZINC000674747723 565882373 /nfs/dbraw/zinc/88/23/73/565882373.db2.gz NXFAWBNPSVXZKQ-AWEZNQCLSA-N 1 0 377.286 2.958 20 0 GFADRO C[C@H]1C[C@H](N2CCOCC2)CN1S(=O)(=O)Cc1cc(Cl)sc1Cl ZINC000651702553 565886267 /nfs/dbraw/zinc/88/62/67/565886267.db2.gz YFDAGCBNEHOJOY-JQWIXIFHSA-N 1 0 399.365 2.680 20 0 GFADRO CSc1cc(Br)ccc1C[NH2+]CCCN(C)S(C)(=O)=O ZINC000674878722 565886982 /nfs/dbraw/zinc/88/69/82/565886982.db2.gz LGDYBCVBNBGBIU-UHFFFAOYSA-N 1 0 381.361 2.542 20 0 GFADRO COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)n1cc(CSCC[NH3+])nn1 ZINC000603187198 565888420 /nfs/dbraw/zinc/88/84/20/565888420.db2.gz ZNKCSJBPUJGYDF-NSHDSACASA-N 1 0 383.905 2.640 20 0 GFADRO [NH3+]CCSCc1cn([C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)nn1 ZINC000603233542 565891486 /nfs/dbraw/zinc/89/14/86/565891486.db2.gz AHWACYNGHGXUBQ-AWEZNQCLSA-N 1 0 386.308 2.755 20 0 GFADRO CN1CCN(c2cc[nH+]cc2NC(=O)c2ccccc2Br)CC1 ZINC000603220088 565891510 /nfs/dbraw/zinc/89/15/10/565891510.db2.gz HDAXWEHILADVOL-UHFFFAOYSA-N 1 0 375.270 2.848 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)CCn2cc(Br)cn2)C[N@@H+]1Cc1ccccc1 ZINC000675134832 565892021 /nfs/dbraw/zinc/89/20/21/565892021.db2.gz QFBDLLWSCAFRDM-RHSMWYFYSA-N 1 0 391.313 2.815 20 0 GFADRO CO[C@@H]1CN(CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)[C@](C)(C[NH3+])C1 ZINC000630356775 565896846 /nfs/dbraw/zinc/89/68/46/565896846.db2.gz UZBQHXSOPNEDAD-NHYWBVRUSA-N 1 0 379.810 2.735 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)C(=O)NCCC[N@@H+](C)CC(C)C ZINC000651904144 565902516 /nfs/dbraw/zinc/90/25/16/565902516.db2.gz PWFTXSQCXFJBSW-UHFFFAOYSA-N 1 0 384.318 2.790 20 0 GFADRO CN1CC[NH+](CCCCNC(=O)CCCc2cccc(Br)c2)CC1 ZINC000675440387 565902609 /nfs/dbraw/zinc/90/26/09/565902609.db2.gz VSCDKHHGRVJBNZ-UHFFFAOYSA-N 1 0 396.373 2.916 20 0 GFADRO C[NH+](C)C[C@H]1CN(S(=O)(=O)c2cccc(Cl)c2F)c2ccccc2O1 ZINC000675469421 565904743 /nfs/dbraw/zinc/90/47/43/565904743.db2.gz LOFXFGVSPPIUCP-LBPRGKRZSA-N 1 0 384.860 2.997 20 0 GFADRO Cc1ccc(Br)c(S(=O)(=O)N(C)CC[NH+]2CCCCC2)c1 ZINC000651926494 565905079 /nfs/dbraw/zinc/90/50/79/565905079.db2.gz XRQHGORJTDWTOG-UHFFFAOYSA-N 1 0 375.332 2.864 20 0 GFADRO CO[C@H](CC(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1)C(F)(F)F ZINC000651947994 565906615 /nfs/dbraw/zinc/90/66/15/565906615.db2.gz ZUAZGRLSOPTMMP-HTAVTVPLSA-N 1 0 376.341 2.875 20 0 GFADRO OCCC1([NH2+]Cc2nc(-c3ccc(Br)cc3)c[nH]2)CCOCC1 ZINC000675554218 565909601 /nfs/dbraw/zinc/90/96/01/565909601.db2.gz YNCBLWGJSXQOLK-UHFFFAOYSA-N 1 0 380.286 2.860 20 0 GFADRO C[C@]1(c2cccc(Br)c2)C[C@@H]1C(=O)NCCCC[NH+]1CCOCC1 ZINC000630751014 565917877 /nfs/dbraw/zinc/91/78/77/565917877.db2.gz KSTPIIGCRAJPMW-IEBWSBKVSA-N 1 0 395.341 2.955 20 0 GFADRO [NH3+]CC1(CCNC(=O)N2CCO[C@@H](c3ccc(Br)cc3)C2)CC1 ZINC000652242720 565919290 /nfs/dbraw/zinc/91/92/90/565919290.db2.gz IJONQXUNWBOIPA-OAHLLOKOSA-N 1 0 382.302 2.661 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCN(CCN2CCOCC2)C1)c1sccc1Br ZINC000675886616 565919749 /nfs/dbraw/zinc/91/97/49/565919749.db2.gz SQIUGHWRDYLMMS-UONOGXRCSA-N 1 0 388.375 2.568 20 0 GFADRO Cc1c([C@H](C)[NH2+]CC[C@@]2(O)CCOC2)nnn1-c1cccc(Br)c1 ZINC000652264402 565920913 /nfs/dbraw/zinc/92/09/13/565920913.db2.gz JGYPGHOQEOOKAY-YVEFUNNKSA-N 1 0 395.301 2.530 20 0 GFADRO C[NH2+]Cc1ccccc1CNC(=O)N[C@@H](CO)c1ccc(Br)cc1 ZINC000652290408 565921454 /nfs/dbraw/zinc/92/14/54/565921454.db2.gz BMAPQKLBCQGPNX-KRWDZBQOSA-N 1 0 392.297 2.701 20 0 GFADRO CC(C)(COc1ncccc1Br)NC(=O)NCCC1CC[NH2+]CC1 ZINC000652318269 565922044 /nfs/dbraw/zinc/92/20/44/565922044.db2.gz ROWRHKIKJMNQFF-UHFFFAOYSA-N 1 0 399.333 2.690 20 0 GFADRO COCC[NH+]1CCC(NC(=O)[C@H]2[C@@H]3c4ccc(Br)cc4C[C@H]23)CC1 ZINC000630833491 565922650 /nfs/dbraw/zinc/92/26/50/565922650.db2.gz STCZMAPQDBPXSV-RCCFBDPRSA-N 1 0 393.325 2.562 20 0 GFADRO COCC[NH2+]C1CCN(CC(=O)N[C@H](C)c2ccc(Cl)c(Cl)c2)CC1 ZINC000652345259 565922796 /nfs/dbraw/zinc/92/27/96/565922796.db2.gz ISSZUHZFZOXHFU-CYBMUJFWSA-N 1 0 388.339 2.871 20 0 GFADRO O[C@H](COc1ccc(Cl)c(Cl)c1)C[N@@H+]1CCS[C@@H]2COCC[C@@H]21 ZINC000676053102 565924132 /nfs/dbraw/zinc/92/41/32/565924132.db2.gz XXJUNNMXZTWYNR-KNXALSJPSA-N 1 0 378.321 2.939 20 0 GFADRO Cc1cc(Br)sc1S(=O)(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000652368519 565924920 /nfs/dbraw/zinc/92/49/20/565924920.db2.gz HJDHYYLSPDDICH-AXFHLTTASA-N 1 0 379.345 2.567 20 0 GFADRO CN(CCOc1ccc(Br)cc1)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000604204938 565926197 /nfs/dbraw/zinc/92/61/97/565926197.db2.gz HHFKCZIYFBKQTB-AWEZNQCLSA-N 1 0 382.302 2.706 20 0 GFADRO CCOc1ccc(Br)cc1NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC000630916543 565926838 /nfs/dbraw/zinc/92/68/38/565926838.db2.gz ZXDVNDJQXMXBSW-UHFFFAOYSA-N 1 0 381.274 2.858 20 0 GFADRO O=S(=O)(NCCC1CC[NH2+]CC1)c1cccc(Cl)c1Br ZINC000652384511 565927480 /nfs/dbraw/zinc/92/74/80/565927480.db2.gz BPPXFRBIKHXCJZ-UHFFFAOYSA-N 1 0 381.723 2.771 20 0 GFADRO C[NH+](C)C[C@H]1CCCCN1C(=O)c1ccc2cncc(Br)c2n1 ZINC000630923031 565927478 /nfs/dbraw/zinc/92/74/78/565927478.db2.gz DCNSDXQYJFKVIC-CYBMUJFWSA-N 1 0 377.286 2.949 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2S(=O)(=O)c2c(Cl)ccc(F)c2F)C1 ZINC000652383217 565927679 /nfs/dbraw/zinc/92/76/79/565927679.db2.gz GIJOWIZOOYJWRT-SWHYSGLUSA-N 1 0 394.871 2.668 20 0 GFADRO O=S(=O)(NCCC1CC[NH2+]CC1)c1cccc(Br)c1Cl ZINC000652384679 565927746 /nfs/dbraw/zinc/92/77/46/565927746.db2.gz JYAWOFSGVVVKOP-UHFFFAOYSA-N 1 0 381.723 2.771 20 0 GFADRO COc1ccc(NC(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)c(Br)c1 ZINC000604621339 565933814 /nfs/dbraw/zinc/93/38/14/565933814.db2.gz PYHWOGPKFOHHDN-HOTGVXAUSA-N 1 0 398.301 2.521 20 0 GFADRO COCCc1ncc(C[NH2+]CCNC(=O)c2ccc(Br)cc2)s1 ZINC000631048810 565934579 /nfs/dbraw/zinc/93/45/79/565934579.db2.gz LPCBWIGDORDUMS-UHFFFAOYSA-N 1 0 398.326 2.614 20 0 GFADRO CCCSc1nsc(NC(=O)N2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)n1 ZINC000652583627 565935076 /nfs/dbraw/zinc/93/50/76/565935076.db2.gz KBAJPENKDFTGSF-AVGNSLFASA-N 1 0 385.559 2.790 20 0 GFADRO CCO[C@@H]1CN(C(=O)Nc2cc(Cl)cc(Br)c2)C[C@H]1C[NH3+] ZINC000652609564 565935890 /nfs/dbraw/zinc/93/58/90/565935890.db2.gz RVAHPCGRYKVJGK-NOZJJQNGSA-N 1 0 376.682 2.930 20 0 GFADRO C[C@H]1CCCC[N@@H+]1CCNc1cccc(OC(F)(F)F)c1S(N)(=O)=O ZINC000631061442 565936873 /nfs/dbraw/zinc/93/68/73/565936873.db2.gz UQLRQMZHVGGZOZ-NSHDSACASA-N 1 0 381.420 2.519 20 0 GFADRO Cc1cc(S(=O)(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)c(C)cc1Br ZINC000604889586 565939383 /nfs/dbraw/zinc/93/93/83/565939383.db2.gz YGJVAWSMHQXDRU-CQSZACIVSA-N 1 0 387.343 2.829 20 0 GFADRO C[C@H](C[NH2+]Cc1cn(C[C@@H]2CCOC2)nn1)Oc1cccc(Br)c1 ZINC000631082234 565939394 /nfs/dbraw/zinc/93/93/94/565939394.db2.gz BSHLYGPXFUJPLL-KGLIPLIRSA-N 1 0 395.301 2.634 20 0 GFADRO NS(=O)(=O)c1cccc(F)c1NCC1CC[NH+](Cc2cccs2)CC1 ZINC000631085036 565939704 /nfs/dbraw/zinc/93/97/04/565939704.db2.gz ZAOFHYUIBMFADV-UHFFFAOYSA-N 1 0 383.514 2.859 20 0 GFADRO O[C@H]1CC[N@H+](Cc2ccccc2CNCc2ccncc2Br)C1 ZINC000631110893 565941514 /nfs/dbraw/zinc/94/15/14/565941514.db2.gz PEKSZLPECXGTLP-KRWDZBQOSA-N 1 0 376.298 2.701 20 0 GFADRO C[C@@H]1C[NH+](CCCNC(=O)NCCc2ccc(Br)cc2)C[C@@H](C)O1 ZINC000605011952 565943964 /nfs/dbraw/zinc/94/39/64/565943964.db2.gz KQAFQXZODAPRCM-HUUCEWRRSA-N 1 0 398.345 2.790 20 0 GFADRO O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)c1cc(F)c(F)cc1Br ZINC000676757995 565946372 /nfs/dbraw/zinc/94/63/72/565946372.db2.gz RNBFPUXYNXHCPW-NSHDSACASA-N 1 0 389.240 2.710 20 0 GFADRO C[NH+](C)CCn1cc(C(=O)NCCCc2cccc(Br)c2)cn1 ZINC000631176577 565947126 /nfs/dbraw/zinc/94/71/26/565947126.db2.gz BCHROMWJIBLMIE-UHFFFAOYSA-N 1 0 379.302 2.570 20 0 GFADRO CC(C)(CO)[NH+]1CCN(CC(=O)Nc2c(Cl)cc(Cl)cc2Cl)CC1 ZINC000605420852 565951206 /nfs/dbraw/zinc/95/12/06/565951206.db2.gz FIUHOKZGEXFZDC-UHFFFAOYSA-N 1 0 394.730 2.974 20 0 GFADRO CCOc1c(Br)cc(Cl)cc1NC(=O)[C@H](N)CC[NH+](C)C ZINC000653063502 565953462 /nfs/dbraw/zinc/95/34/62/565953462.db2.gz JWBFDMBQPJNOKX-LLVKDONJSA-N 1 0 378.698 2.719 20 0 GFADRO COc1cc(Br)c(CNC(=O)[C@@H]2CC[C@H](C3CC3)[NH2+]2)cc1OC ZINC000653085582 565953940 /nfs/dbraw/zinc/95/39/40/565953940.db2.gz QNJNDLNMAQSMOH-KGLIPLIRSA-N 1 0 383.286 2.613 20 0 GFADRO C[NH+](C)CC[C@@H](N)C(=O)Nc1ncc(Cc2cccc(Br)c2)s1 ZINC000653079821 565954261 /nfs/dbraw/zinc/95/42/61/565954261.db2.gz OJHAHMSJGVBPSL-CQSZACIVSA-N 1 0 397.342 2.714 20 0 GFADRO Cc1c(Br)c2ccccc2n1CC(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000653142768 565956139 /nfs/dbraw/zinc/95/61/39/565956139.db2.gz WQLMZKARCCRJAW-OAHLLOKOSA-N 1 0 376.298 2.971 20 0 GFADRO O=C([C@@H]1CCOc2ccc(Br)cc21)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000653140579 565956189 /nfs/dbraw/zinc/95/61/89/565956189.db2.gz GTMVMMQQCNSFGN-RDTXWAMCSA-N 1 0 379.298 2.917 20 0 GFADRO O=C(NCc1nc(-c2cccc(Br)c2)no1)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653160861 565957247 /nfs/dbraw/zinc/95/72/47/565957247.db2.gz YUYMZCMODWACNO-ZIAGYGMSSA-N 1 0 391.269 2.646 20 0 GFADRO O=C(NCc1nc(-c2cccc(Br)c2)no1)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653160860 565957295 /nfs/dbraw/zinc/95/72/95/565957295.db2.gz YUYMZCMODWACNO-UONOGXRCSA-N 1 0 391.269 2.646 20 0 GFADRO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCN(C(=O)COc3ccc(Br)cc3)C2)C1 ZINC000653190424 565958248 /nfs/dbraw/zinc/95/82/48/565958248.db2.gz KAMLNVNZOPBTKK-FRFSOERESA-N 1 0 397.313 2.573 20 0 GFADRO C[NH2+]Cc1ccccc1CNC(=O)c1cc(Br)cnc1N(C)C ZINC000653214067 565959635 /nfs/dbraw/zinc/95/96/35/565959635.db2.gz FKAKIXIHSIMPOD-UHFFFAOYSA-N 1 0 377.286 2.560 20 0 GFADRO Cc1cc(C(=O)NCCC2(C[NH3+])CC2)nn1-c1ccc(Br)cc1 ZINC000653220600 565959758 /nfs/dbraw/zinc/95/97/58/565959758.db2.gz OTGLJFDJLHGBDU-UHFFFAOYSA-N 1 0 377.286 2.802 20 0 GFADRO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2cc(Br)c3nccn3c2)C1 ZINC000631550621 565962678 /nfs/dbraw/zinc/96/26/78/565962678.db2.gz BURXAMMYHNNITJ-CYBMUJFWSA-N 1 0 379.302 2.901 20 0 GFADRO CC[N@@H+]1CCN(C(=O)[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C[C@@H]1C ZINC000677194081 565963823 /nfs/dbraw/zinc/96/38/23/565963823.db2.gz QCXGCZRVQSORCK-JSGCOSHPSA-N 1 0 384.307 2.899 20 0 GFADRO CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3cn4cc(Br)ccc4n3)[C@@H]2C1 ZINC000677267004 565968292 /nfs/dbraw/zinc/96/82/92/565968292.db2.gz MKBJHPLVZRKFDD-IAOVAPTHSA-N 1 0 391.313 2.833 20 0 GFADRO C[C@H](NC(=O)NCc1cc2c(c(Br)c1)OCO2)C1CC[NH+](C)CC1 ZINC000606658320 565968666 /nfs/dbraw/zinc/96/86/66/565968666.db2.gz AFUZXWSAKOROHN-NSHDSACASA-N 1 0 398.301 2.707 20 0 GFADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]Cc1cccc2c1CCOC2 ZINC000631732442 565970862 /nfs/dbraw/zinc/97/08/62/565970862.db2.gz JBSCUOBINXHLCW-CYBMUJFWSA-N 1 0 377.282 2.862 20 0 GFADRO OC[C@H]([NH2+]C[C@H]1CN(c2ccccc2)CCO1)c1ccc(Br)cc1 ZINC000653611894 565973905 /nfs/dbraw/zinc/97/39/05/565973905.db2.gz RVPICXVJZWJITP-OALUTQOASA-N 1 0 391.309 2.978 20 0 GFADRO OCC[C@H]1CN(Cc2ccncc2Cl)CCN1Cc1ccncc1Cl ZINC000653702807 565978236 /nfs/dbraw/zinc/97/82/36/565978236.db2.gz PDOJPHGCGPSNIX-INIZCTEOSA-N 1 0 381.307 2.852 20 0 GFADRO Clc1cc2c(c(Cl)c1)[C@@H]([NH2+][C@H]1CCN(CCN3CCOCC3)C1)CC2 ZINC000677654646 565980605 /nfs/dbraw/zinc/98/06/05/565980605.db2.gz XVZNYYJTHFVDGA-WMZOPIPTSA-N 1 0 384.351 2.977 20 0 GFADRO C[N@H+](CC[C@@H]1CCS(=O)(=O)C1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000677677898 565981082 /nfs/dbraw/zinc/98/10/82/565981082.db2.gz DHFQJYPKCYYLNE-VFVAKGGASA-N 1 0 378.321 2.708 20 0 GFADRO C[C@H]([NH2+]C1(CNS(=O)(=O)c2c[nH]c(=O)s2)CCCC1)c1ccccc1 ZINC000631933445 565984734 /nfs/dbraw/zinc/98/47/34/565984734.db2.gz DYEYBSLAVUBBBX-ZDUSSCGKSA-N 1 0 381.523 2.791 20 0 GFADRO CC[C@H]([NH2+]Cc1nnnn1-c1ccccc1Br)[C@H]1CCCCO1 ZINC000653878263 565985808 /nfs/dbraw/zinc/98/58/08/565985808.db2.gz YFNCJTDPPHGTCK-DZGCQCFKSA-N 1 0 380.290 2.862 20 0 GFADRO COc1ccc(S(=O)(=O)N[C@H]2CC[NH2+]CC(C)(C)C2)c(Br)c1 ZINC000631978091 565987496 /nfs/dbraw/zinc/98/74/96/565987496.db2.gz ZQOXYQYFKVRGFT-NSHDSACASA-N 1 0 391.331 2.514 20 0 GFADRO CCOCCC[N@@H+]1CC[C@@H](NS(=O)(=O)c2ccc(C(F)F)o2)[C@H](C)C1 ZINC000631977980 565987585 /nfs/dbraw/zinc/98/75/85/565987585.db2.gz YFPCBCLJPUSZDJ-CHWSQXEVSA-N 1 0 380.457 2.633 20 0 GFADRO O=S(=O)(c1cccc(Cl)c1Br)N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631992699 565990025 /nfs/dbraw/zinc/99/00/25/565990025.db2.gz FCQYHCBFZIHKMG-JQWIXIFHSA-N 1 0 393.734 2.865 20 0 GFADRO C[C@@H](C(=O)NCCCN1CCC[N@H+](C)CC1)c1ccc(Br)cc1 ZINC000678045866 565996099 /nfs/dbraw/zinc/99/60/99/565996099.db2.gz LROLDFDXOILSKP-OAHLLOKOSA-N 1 0 382.346 2.696 20 0 GFADRO O=C(Nc1cc(Cl)ccc1OC(F)(F)F)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000654102308 565996707 /nfs/dbraw/zinc/99/67/07/565996707.db2.gz QHOSFRBYLAIRKF-WDEREUQCSA-N 1 0 379.766 2.521 20 0 GFADRO C[NH+](C)CCN(Cc1cccs1)S(=O)(=O)c1cnn(C2CCCC2)c1 ZINC000632085226 565998107 /nfs/dbraw/zinc/99/81/07/565998107.db2.gz USJBWVMNSSIQTM-UHFFFAOYSA-N 1 0 382.555 2.812 20 0 GFADRO C[C@@H](NC(=O)N[C@@H](CO)c1ccc(Br)cc1)C1CC[NH+](C)CC1 ZINC000678112732 565999812 /nfs/dbraw/zinc/99/98/12/565999812.db2.gz DDERAJVJVSRHJP-WBMJQRKESA-N 1 0 384.318 2.512 20 0 GFADRO CCCc1ccc(C(=O)N(CC[NH+](CC)CC)[C@H]2CCS(=O)(=O)C2)s1 ZINC000632124987 566001460 /nfs/dbraw/zinc/00/14/60/566001460.db2.gz VKZJQXRZXMKALN-HNNXBMFYSA-N 1 0 386.583 2.672 20 0 GFADRO O=C(N[C@@H](c1c(Cl)cccc1Cl)C1CC1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000654566834 566016352 /nfs/dbraw/zinc/01/63/52/566016352.db2.gz PDJCGLAIVHNWNA-OGHNNQOOSA-N 1 0 384.307 2.905 20 0 GFADRO C[N@@H+]1CCCC12CCN(C(=O)c1cc(Br)c3nccn3c1)CC2 ZINC000632279381 566017145 /nfs/dbraw/zinc/01/71/45/566017145.db2.gz UJKNTTNAQSEGAE-UHFFFAOYSA-N 1 0 377.286 2.797 20 0 GFADRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)N2CCO[C@H](c3cccc(Br)c3)C2)C1 ZINC000654658293 566018201 /nfs/dbraw/zinc/01/82/01/566018201.db2.gz HUEQAAXJEQDNAO-XKQJLSEDSA-N 1 0 396.329 2.872 20 0 GFADRO C[NH+]1CCC(N(C[C@@H](O)CC(C)(C)C)S(=O)(=O)CCC(C)(F)F)CC1 ZINC000632303136 566019176 /nfs/dbraw/zinc/01/91/76/566019176.db2.gz ADSGPGYXNRQGDZ-HNNXBMFYSA-N 1 0 384.533 2.555 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CNC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000608697788 566021302 /nfs/dbraw/zinc/02/13/02/566021302.db2.gz DWDMHNLNLYGIEP-AWEZNQCLSA-N 1 0 386.327 2.704 20 0 GFADRO C[C@H]([NH2+]C[C@H]1CCC[C@]12NC(=O)N(C)C2=O)c1ccc(Br)s1 ZINC000679066618 566029209 /nfs/dbraw/zinc/02/92/09/566029209.db2.gz RVDPKKNINBWQJF-WMFXKJRFSA-N 1 0 386.315 2.882 20 0 GFADRO CCN(C1CC[NH+](C)CC1)S(=O)(=O)Cc1cccc(Br)c1 ZINC000632408343 566029710 /nfs/dbraw/zinc/02/97/10/566029710.db2.gz BYVJLSDQCMDRJW-UHFFFAOYSA-N 1 0 375.332 2.695 20 0 GFADRO Cc1cc(NC(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)ccc1Br ZINC000654946599 566031163 /nfs/dbraw/zinc/03/11/63/566031163.db2.gz MTRGNTCGWLITLZ-HZPDHXFCSA-N 1 0 394.313 2.829 20 0 GFADRO Cc1c(Br)cccc1NC(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000654945833 566032022 /nfs/dbraw/zinc/03/20/22/566032022.db2.gz FYBNOVPRTFJIDJ-CVEARBPZSA-N 1 0 394.313 2.829 20 0 GFADRO CCOC(=O)CC[N@H+](C)C[C@H](O)COc1ccc(Cl)cc1Br ZINC000609284184 566034717 /nfs/dbraw/zinc/03/47/17/566034717.db2.gz ICWSGUOCRCPTMX-LBPRGKRZSA-N 1 0 394.693 2.727 20 0 GFADRO O=C(N[C@H]1CC[N@H+](CC2CC2)C1)c1cc(F)ccc1I ZINC000609383262 566037668 /nfs/dbraw/zinc/03/76/68/566037668.db2.gz KLWBGSVYEMBJLS-LBPRGKRZSA-N 1 0 388.224 2.644 20 0 GFADRO CC[NH+](CC)CC[C@@H](CO)NC(=O)Cc1ccc(Br)c(Cl)c1 ZINC000655048641 566037909 /nfs/dbraw/zinc/03/79/09/566037909.db2.gz SXGTWDPUFYTSHM-ZDUSSCGKSA-N 1 0 391.737 2.854 20 0 GFADRO CC(C)(CO)[NH+]1CCN(Cc2ccc(Br)c3cccnc23)CC1 ZINC000679333993 566038614 /nfs/dbraw/zinc/03/86/14/566038614.db2.gz ZVORWUJHQMUTNX-UHFFFAOYSA-N 1 0 378.314 2.886 20 0 GFADRO C[C@@H](NC(=O)NCCNc1cccc(Br)c1)C1CC[NH+](C)CC1 ZINC000679380634 566039367 /nfs/dbraw/zinc/03/93/67/566039367.db2.gz LRPKTTGGAQCELV-CYBMUJFWSA-N 1 0 383.334 2.891 20 0 GFADRO C[N@@H+]1CCC[C@@H](NC(=O)CCC[S@@](=O)c2ccc(Br)cc2)C1 ZINC000609548475 566044096 /nfs/dbraw/zinc/04/40/96/566044096.db2.gz CHSNNHJTVDBCLE-JLCFBVMHSA-N 1 0 387.343 2.547 20 0 GFADRO O=C(Nc1cnn(-c2cc[nH+]cc2)c1)C(=O)Nc1cccc(Br)c1 ZINC000679510882 566044056 /nfs/dbraw/zinc/04/40/56/566044056.db2.gz KJWVXGBNINPMFP-UHFFFAOYSA-N 1 0 386.209 2.607 20 0 GFADRO O=c1[nH]c2ccc(S(=O)(=O)N[C@H]3CC[N@@H+](C4CCCCC4)C3)cc2s1 ZINC000632559745 566045505 /nfs/dbraw/zinc/04/55/05/566045505.db2.gz MQNPKPDMHFFVFE-LBPRGKRZSA-N 1 0 381.523 2.687 20 0 GFADRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)[C@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)C1 ZINC000655246600 566049460 /nfs/dbraw/zinc/04/94/60/566049460.db2.gz LZDOPMNNKLRUNN-KWCYVHTRSA-N 1 0 384.307 2.803 20 0 GFADRO Cc1ccc(OC[C@H](O)C[NH2+][C@@H](CO)c2ccc(Br)cc2)cc1 ZINC000679832357 566055434 /nfs/dbraw/zinc/05/54/34/566055434.db2.gz PQWWJISWNINDSS-AEFFLSMTSA-N 1 0 380.282 2.820 20 0 GFADRO O=C([C@@H]1C[C@]12CCC[NH2+]C2)N1CCO[C@@H](c2cccc(Br)c2)C1 ZINC000655431231 566055948 /nfs/dbraw/zinc/05/59/48/566055948.db2.gz YIHBIKDCBUUTBB-JZXOWHBKSA-N 1 0 379.298 2.739 20 0 GFADRO O=C(NC[C@@H]1CCN(c2ccc(Br)cc2)C1)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC000655445975 566056961 /nfs/dbraw/zinc/05/69/61/566056961.db2.gz WCZIWLCZEFZNSU-POZUXBRTSA-N 1 0 392.341 2.781 20 0 GFADRO Cc1c(Br)cccc1CS(=O)(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000655477531 566058389 /nfs/dbraw/zinc/05/83/89/566058389.db2.gz POXFJUATTZCNRM-HOTGVXAUSA-N 1 0 387.343 2.804 20 0 GFADRO Cc1c(Br)cccc1CS(=O)(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000655502915 566061218 /nfs/dbraw/zinc/06/12/18/566061218.db2.gz CTKMOLNTPOYUGN-OAHLLOKOSA-N 1 0 387.343 2.661 20 0 GFADRO CN(C)c1cc[nH+]c(NC(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CC2)c1 ZINC000680257611 566066012 /nfs/dbraw/zinc/06/60/12/566066012.db2.gz VTROPWPFLUIIPL-UHFFFAOYSA-N 1 0 379.869 2.746 20 0 GFADRO CC(C)OC(=O)CSCC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000610167767 566069337 /nfs/dbraw/zinc/06/93/37/566069337.db2.gz AWYGFVMZYSJCHT-UHFFFAOYSA-N 1 0 382.551 2.859 20 0 GFADRO O=C(c1cc(=O)[nH]c2ccc(Br)cc21)N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000632858525 566071197 /nfs/dbraw/zinc/07/11/97/566071197.db2.gz MJENZNRTARWVAV-BDJLRTHQSA-N 1 0 390.281 2.917 20 0 GFADRO O=C(Nc1cnc2c(c1)C[NH2+]CC2)N[C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21 ZINC000632949607 566076200 /nfs/dbraw/zinc/07/62/00/566076200.db2.gz GHLXGUNYCZJUOY-FHLIZLRMSA-N 1 0 399.292 2.950 20 0 GFADRO C[NH+](C)Cc1ccc(S(=O)(=O)N[C@@H](C[C@H]2CCCO2)C(F)(F)F)cc1 ZINC000655661752 566078963 /nfs/dbraw/zinc/07/89/63/566078963.db2.gz HVXBQSJBEQIWSA-HIFRSBDPSA-N 1 0 380.432 2.527 20 0 GFADRO C[NH+](C)Cc1ccc(S(=O)(=O)N[C@@H](C[C@@H]2CCCO2)C(F)(F)F)cc1 ZINC000655661754 566079294 /nfs/dbraw/zinc/07/92/94/566079294.db2.gz HVXBQSJBEQIWSA-ZFWWWQNUSA-N 1 0 380.432 2.527 20 0 GFADRO O=S(=O)(N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccc(OC(F)F)c(F)c1 ZINC000655668896 566080202 /nfs/dbraw/zinc/08/02/02/566080202.db2.gz UYSVYCBMURUTQY-ZIAGYGMSSA-N 1 0 378.416 2.722 20 0 GFADRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1cc(Br)c2nccn2c1 ZINC000633032899 566080911 /nfs/dbraw/zinc/08/09/11/566080911.db2.gz NTOXTJVWKZRLRE-OCCSQVGLSA-N 1 0 377.286 2.796 20 0 GFADRO C[C@@H](NS(=O)(=O)c1cccs1)c1nc(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)no1 ZINC000680770771 566081309 /nfs/dbraw/zinc/08/13/09/566081309.db2.gz HOOADGHTXXWDSU-ODWCKFRGSA-N 1 0 382.511 2.511 20 0 GFADRO Brc1ccccc1N1CC[C@H]([NH2+]C2CCN([C@@H]3CCOC3)CC2)C1 ZINC000655710584 566083540 /nfs/dbraw/zinc/08/35/40/566083540.db2.gz AHWIMCMYOIQSKI-DLBZAZTESA-N 1 0 394.357 2.871 20 0 GFADRO Cc1nn(-c2cccc(Br)c2)cc1C[NH2+][C@H](C)Cn1cncn1 ZINC000655720630 566084392 /nfs/dbraw/zinc/08/43/92/566084392.db2.gz BCBPKUMASUNWKH-GFCCVEGCSA-N 1 0 375.274 2.713 20 0 GFADRO Cc1nn(-c2cccc(Br)c2)cc1C[NH2+]C[C@@H](O)COCC1CC1 ZINC000655724708 566084601 /nfs/dbraw/zinc/08/46/01/566084601.db2.gz XMCHEWHXZBAKAU-GOSISDBHSA-N 1 0 394.313 2.820 20 0 GFADRO CCCNC(=O)CC[NH2+]Cc1cn(-c2ccccc2Br)nc1C ZINC000655714724 566084696 /nfs/dbraw/zinc/08/46/96/566084696.db2.gz BHJJJGGCWPVFFE-UHFFFAOYSA-N 1 0 379.302 2.949 20 0 GFADRO O=C1[C@@H]([NH2+][C@@H]2CCc3cc(Br)ccc3C2)CCN1C1CCOCC1 ZINC000680874582 566086545 /nfs/dbraw/zinc/08/65/45/566086545.db2.gz BWMZFZLCNMYWIZ-AEFFLSMTSA-N 1 0 393.325 2.676 20 0 GFADRO OC[C@@H](C[NH2+]Cc1cc2n(n1)CCCC2)Cc1cccc(Br)c1 ZINC000655765639 566086790 /nfs/dbraw/zinc/08/67/90/566086790.db2.gz IGAVFEQQAWGFJP-OAHLLOKOSA-N 1 0 378.314 2.923 20 0 GFADRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+]Cc1cn(-c2ccccc2Br)nc1C ZINC000655753818 566087318 /nfs/dbraw/zinc/08/73/18/566087318.db2.gz GHDHMGOODMYNSD-GDBMZVCRSA-N 1 0 391.313 2.948 20 0 GFADRO CCO[C@@H]1COC[C@H]1[NH2+]Cc1cn(-c2ccccc2Br)nc1C ZINC000655792829 566090048 /nfs/dbraw/zinc/09/00/48/566090048.db2.gz QKTNYOYECJWELL-NVXWUHKLSA-N 1 0 380.286 2.837 20 0 GFADRO CCOc1cc(C[NH2+]C[C@](C)(CO)OC)cc(Br)c1OC(F)F ZINC000655808494 566090186 /nfs/dbraw/zinc/09/01/86/566090186.db2.gz ATIAMSMURLEACS-OAHLLOKOSA-N 1 0 398.244 2.936 20 0 GFADRO C[C@H](c1ccccc1)[C@H](CO)[NH2+][C@H](C(N)=O)c1ccc(Br)cc1 ZINC000680993944 566090321 /nfs/dbraw/zinc/09/03/21/566090321.db2.gz RNHGWSTWPARMKX-DQYPLSBCSA-N 1 0 377.282 2.730 20 0 GFADRO C[C@H](c1ccccc1)[C@H](CO)[NH2+]C[C@H](O)COc1cccc(Br)c1 ZINC000680990180 566090540 /nfs/dbraw/zinc/09/05/40/566090540.db2.gz ILOCJKCEBYKPGV-LJHODMEESA-N 1 0 394.309 2.943 20 0 GFADRO COC[C@H](CC(C)(C)C)[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000655843460 566092384 /nfs/dbraw/zinc/09/23/84/566092384.db2.gz SFGQRYKGGIHNCN-LBPRGKRZSA-N 1 0 393.347 2.637 20 0 GFADRO CC[NH+]1CCC(CNC(=O)C(=O)Nc2cccc(C)c2Br)CC1 ZINC000681103238 566094031 /nfs/dbraw/zinc/09/40/31/566094031.db2.gz QWHUOMVCEGTBSK-UHFFFAOYSA-N 1 0 382.302 2.544 20 0 GFADRO O=C(NCCN1C[C@H]2CC[C@@H](C1)O2)c1oc2ccccc2c1Br ZINC000633318673 566097308 /nfs/dbraw/zinc/09/73/08/566097308.db2.gz DGSXXRDPEUJEGL-TXEJJXNPSA-N 1 0 379.254 2.788 20 0 GFADRO Cc1c(Br)cccc1CS(=O)(=O)N1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000655949622 566097915 /nfs/dbraw/zinc/09/79/15/566097915.db2.gz ZRZXNNLUEJSCNG-DOMZBBRYSA-N 1 0 375.332 2.789 20 0 GFADRO [NH3+]C[C@@H](NC(=O)N1CC[C@H](c2cccc(Br)c2)C1)C(F)(F)F ZINC000655931816 566098128 /nfs/dbraw/zinc/09/81/28/566098128.db2.gz PWLDQQQZQQVKLB-CMPLNLGQSA-N 1 0 380.208 2.838 20 0 GFADRO COc1cc(C[NH+](C)C)ccc1NC(=O)COc1ccc(Br)cn1 ZINC000633378990 566098835 /nfs/dbraw/zinc/09/88/35/566098835.db2.gz CFRYNNZVGZSVTF-UHFFFAOYSA-N 1 0 394.269 2.932 20 0 GFADRO COc1cc(C[NH+](C)C)ccc1NC(=O)c1cc(Br)c[nH]c1=O ZINC000633378374 566098884 /nfs/dbraw/zinc/09/88/84/566098884.db2.gz JSHLMGWCNZWYCY-UHFFFAOYSA-N 1 0 380.242 2.872 20 0 GFADRO O=S1(=O)CC[C@H]([NH2+][C@H]2CCN(CC3CC3)C2)c2cc(Br)ccc21 ZINC000681389595 566105202 /nfs/dbraw/zinc/10/52/02/566105202.db2.gz QIILBYRWUFWPIX-HOCLYGCPSA-N 1 0 399.354 2.742 20 0 GFADRO C[C@H](C[NH2+]C[C@H](O)COc1cc(Cl)ccc1Cl)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656153680 566106870 /nfs/dbraw/zinc/10/68/70/566106870.db2.gz ZVBYVLQRKWRIKB-NYTXWWLZSA-N 1 0 391.339 2.820 20 0 GFADRO O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1cccc(F)c1I ZINC000611002009 566110291 /nfs/dbraw/zinc/11/02/91/566110291.db2.gz XHSZYENRPVEAOB-QWRGUYRKSA-N 1 0 388.224 2.787 20 0 GFADRO O=C(c1oc2ccccc2c1Br)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000633648186 566112673 /nfs/dbraw/zinc/11/26/73/566112673.db2.gz CFDMWRVXFWNVMQ-CYBMUJFWSA-N 1 0 393.281 2.867 20 0 GFADRO NS(=O)(=O)c1ccc(N[C@H]2CCC[N@@H+]3CCCC[C@H]23)cc1C(F)(F)F ZINC000656225143 566114234 /nfs/dbraw/zinc/11/42/34/566114234.db2.gz DQQJFZIAVVESQQ-UONOGXRCSA-N 1 0 377.432 2.782 20 0 GFADRO COC1(CO)CC[NH+](Cc2cn(-c3ccccc3Br)nc2C)CC1 ZINC000656257043 566118575 /nfs/dbraw/zinc/11/85/75/566118575.db2.gz CKMZZWTVTAKZIT-UHFFFAOYSA-N 1 0 394.313 2.917 20 0 GFADRO CNC(=O)[C@@]1(C)CC[N@H+](Cc2cn(-c3ccccc3Br)nc2C)C1 ZINC000656258790 566119031 /nfs/dbraw/zinc/11/90/31/566119031.db2.gz VNWKYTPAZQIXET-SFHVURJKSA-N 1 0 391.313 2.901 20 0 GFADRO COCCC[N@H+](CCO)Cc1cn(-c2cccc(Br)c2)nc1C ZINC000656257084 566119208 /nfs/dbraw/zinc/11/92/08/566119208.db2.gz GALAZORAFZVHAP-UHFFFAOYSA-N 1 0 382.302 2.774 20 0 GFADRO C[N@@H+]1CC[C@H]2CCN(C(=O)NCc3nc4c(cccc4Br)[nH]3)[C@@H]2C1 ZINC000656275827 566122100 /nfs/dbraw/zinc/12/21/00/566122100.db2.gz WBLFEBMXGCIMPO-SMDDNHRTSA-N 1 0 392.301 2.561 20 0 GFADRO O=C(NCc1cccc(Cl)c1Cl)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000656290558 566122713 /nfs/dbraw/zinc/12/27/13/566122713.db2.gz BGCULHLXXPBHHQ-HUUCEWRRSA-N 1 0 384.307 2.743 20 0 GFADRO C[N@@H+]1CCC[C@@H](NC(=O)Nc2ccnn2Cc2ccc(Br)cc2)C1 ZINC000681775487 566125135 /nfs/dbraw/zinc/12/51/35/566125135.db2.gz BGXXISBHAUXLCH-OAHLLOKOSA-N 1 0 392.301 2.910 20 0 GFADRO C[C@H](c1ccc(F)c(Br)c1)n1cc(CN2CC[NH+](C)CC2)nn1 ZINC000656460407 566127859 /nfs/dbraw/zinc/12/78/59/566127859.db2.gz BJAMNGHMGSGAOY-GFCCVEGCSA-N 1 0 382.281 2.536 20 0 GFADRO Cc1[nH]c(=O)c(Br)cc1C(=O)N1CCC(C)([NH+]2CCCC2)CC1 ZINC000633945259 566132804 /nfs/dbraw/zinc/13/28/04/566132804.db2.gz GLLIEJSTDZHWQT-UHFFFAOYSA-N 1 0 382.302 2.949 20 0 GFADRO O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cnc2ncc(Br)cc2c1 ZINC000681961231 566134853 /nfs/dbraw/zinc/13/48/53/566134853.db2.gz JTHKOTXDJOPNGZ-LSDHHAIUSA-N 1 0 375.270 2.749 20 0 GFADRO CC[NH+]1CCC(CNC(=O)c2cnc3ncc(Br)cc3c2)CC1 ZINC000681968875 566135203 /nfs/dbraw/zinc/13/52/03/566135203.db2.gz RUVYTVZBZCJLIY-UHFFFAOYSA-N 1 0 377.286 2.854 20 0 GFADRO CC[NH+]1CCC(N(C)C(=O)c2cnc3ncc(Br)cc3c2)CC1 ZINC000681983200 566136460 /nfs/dbraw/zinc/13/64/60/566136460.db2.gz JMTZXSMFMCVTLW-UHFFFAOYSA-N 1 0 377.286 2.949 20 0 GFADRO CCOc1cc(C[NH2+]CCN2CCC(OC)CC2)cc(Br)c1O ZINC000656528715 566138165 /nfs/dbraw/zinc/13/81/65/566138165.db2.gz LRRUXRIZENGHLD-UHFFFAOYSA-N 1 0 387.318 2.754 20 0 GFADRO CC1(C)CN(Cc2ncc(-c3cccc(Br)c3)o2)CC[N@@H+]1CCO ZINC000682035624 566140611 /nfs/dbraw/zinc/14/06/11/566140611.db2.gz OMNNTHSOTIGAKO-UHFFFAOYSA-N 1 0 394.313 2.993 20 0 GFADRO CC1(C)CN(Cc2ncc(-c3ccccc3Br)o2)CC[N@@H+]1CCO ZINC000682035751 566140823 /nfs/dbraw/zinc/14/08/23/566140823.db2.gz AFBLTTHMFAWFNW-UHFFFAOYSA-N 1 0 394.313 2.993 20 0 GFADRO Cc1c(Br)cncc1C(=O)NC1CC[NH+](CCOC(C)C)CC1 ZINC000611865756 566144140 /nfs/dbraw/zinc/14/41/40/566144140.db2.gz LNDUWIKYEPGRDM-UHFFFAOYSA-N 1 0 384.318 2.772 20 0 GFADRO Cc1ccc(CC(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)cc1Br ZINC000682160871 566145728 /nfs/dbraw/zinc/14/57/28/566145728.db2.gz XMUMLPDAUXKBIN-QGZVFWFLSA-N 1 0 394.357 2.538 20 0 GFADRO CC[C@H](C[NH+]1CCCC1)NC(=O)Cc1cc2c(cc1Br)OCCO2 ZINC000682224086 566147442 /nfs/dbraw/zinc/14/74/42/566147442.db2.gz MOUGXJNXEJHVGU-CQSZACIVSA-N 1 0 397.313 2.753 20 0 GFADRO C[C@](CO)([NH2+]C[C@H](O)COc1cc(F)cc(Br)c1)c1ccccc1 ZINC000682219399 566147840 /nfs/dbraw/zinc/14/78/40/566147840.db2.gz XMTXSJAKMFJDIP-FUHWJXTLSA-N 1 0 398.272 2.825 20 0 GFADRO CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)Nc1nc(-c2cccs2)cs1 ZINC000682271264 566149169 /nfs/dbraw/zinc/14/91/69/566149169.db2.gz ALPRUVZNJKRGTQ-GFCCVEGCSA-N 1 0 378.523 2.801 20 0 GFADRO CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)Nc1c(C)cc(Br)cc1C ZINC000682272297 566149556 /nfs/dbraw/zinc/14/95/56/566149556.db2.gz IFIVVFMVXMJBRT-OAHLLOKOSA-N 1 0 396.329 2.995 20 0 GFADRO COC1CC[NH+](CCNC(=O)c2c(Cl)cccc2Br)CC1 ZINC000612052641 566150026 /nfs/dbraw/zinc/15/00/26/566150026.db2.gz FLLNOIJACGQSSJ-UHFFFAOYSA-N 1 0 375.694 2.943 20 0 GFADRO COc1c(Cl)cc(NC(=O)C(=O)N2CCC[C@@H]([NH2+]C(C)C)C2)cc1Cl ZINC000682352461 566150485 /nfs/dbraw/zinc/15/04/85/566150485.db2.gz ORSCANWPQDUWFR-LLVKDONJSA-N 1 0 388.295 2.930 20 0 GFADRO CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)Nc2ccc(F)c(Br)c2)C1 ZINC000682352650 566151143 /nfs/dbraw/zinc/15/11/43/566151143.db2.gz RRUVOCLPEYTJDC-GFCCVEGCSA-N 1 0 386.265 2.516 20 0 GFADRO CC(C)(C)N1CC[C@H]1C[NH2+]C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000656702275 566155959 /nfs/dbraw/zinc/15/59/59/566155959.db2.gz NOQXOQBQLMKFFB-GJZGRUSLSA-N 1 0 389.309 2.790 20 0 GFADRO COc1cc(Br)ccc1[C@H](C)[NH2+]CC(=O)N1CCOC[C@H]1C1CC1 ZINC000682540245 566161666 /nfs/dbraw/zinc/16/16/66/566161666.db2.gz LXEURCRQUAUIEE-LRDDRELGSA-N 1 0 397.313 2.746 20 0 GFADRO CCC(=O)N1CCC[N@H+](C[C@H](O)COc2cc(Cl)cc(Cl)c2)CC1 ZINC000634642225 566161939 /nfs/dbraw/zinc/16/19/39/566161939.db2.gz GQAPUNDVOIXBQU-HNNXBMFYSA-N 1 0 375.296 2.677 20 0 GFADRO COCC1(C2CC2)C[NH+](C[C@@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000634652158 566164277 /nfs/dbraw/zinc/16/42/77/566164277.db2.gz IVJZPAUZLMWEEQ-OAHLLOKOSA-N 1 0 388.277 2.686 20 0 GFADRO CC(C)[C@H](C[NH2+][C@@H](C(N)=O)c1cccc(Br)c1)c1ccnn1C ZINC000682612499 566166434 /nfs/dbraw/zinc/16/64/34/566166434.db2.gz CMANSNGSAULHRR-GOEBONIOSA-N 1 0 379.302 2.738 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@H]1CN1C(=O)N[C@@H](c2ccccc2Br)C1=O ZINC000656821895 566167415 /nfs/dbraw/zinc/16/74/15/566167415.db2.gz MNUISHZEBJWNJQ-FZMZJTMJSA-N 1 0 380.286 2.915 20 0 GFADRO C[NH+](C)C1CCC(N2C(=O)N[C@H](c3ccccc3Br)C2=O)CC1 ZINC000656820804 566167553 /nfs/dbraw/zinc/16/75/53/566167553.db2.gz USJVLGWVFWKUDH-KOHJWAIASA-N 1 0 380.286 2.915 20 0 GFADRO CCN(CCC[NH+](CC)CC)S(=O)(=O)c1ccc([C@@H](C)NC(C)=O)s1 ZINC000682725963 566167976 /nfs/dbraw/zinc/16/79/76/566167976.db2.gz JQWJRSVNOYFVNR-CQSZACIVSA-N 1 0 389.587 2.688 20 0 GFADRO O=S(=O)(Cc1cc(F)ccc1Br)NC1CC[NH+](C2CC2)CC1 ZINC000656868143 566170363 /nfs/dbraw/zinc/17/03/63/566170363.db2.gz IGCMVDJQCXWQPL-UHFFFAOYSA-N 1 0 391.306 2.634 20 0 GFADRO C[NH+](C)CCN(Cc1ccccc1)S(=O)(=O)c1ncccc1Br ZINC000656865250 566170423 /nfs/dbraw/zinc/17/04/23/566170423.db2.gz BOYYJHFTQLFTGR-UHFFFAOYSA-N 1 0 398.326 2.597 20 0 GFADRO CC(=O)NC1CCC([NH2+]C[C@@H](O)COc2cc(Cl)cc(Cl)c2)CC1 ZINC000634703416 566171023 /nfs/dbraw/zinc/17/10/23/566171023.db2.gz VTYVOESUZRXWKO-UYSNPLJNSA-N 1 0 375.296 2.770 20 0 GFADRO C[C@](O)(C[C@@H](O)C[NH2+][C@H]1CCN(c2ccccc2Br)C1)C1CC1 ZINC000634704143 566171307 /nfs/dbraw/zinc/17/13/07/566171307.db2.gz GSFBVNYKBUPTKA-DAYGRLMNSA-N 1 0 383.330 2.529 20 0 GFADRO C[C@](O)(C[C@H](O)C[NH2+][C@H]1CCN(c2cccc(Br)c2)C1)C1CC1 ZINC000634712505 566171630 /nfs/dbraw/zinc/17/16/30/566171630.db2.gz HKKRARDQMGJHPP-SZMVWBNQSA-N 1 0 383.330 2.529 20 0 GFADRO CC(=O)Nc1ccc(C[NH2+]C[C@@H](O)COc2cc(Cl)cc(Cl)c2)cn1 ZINC000634713436 566171772 /nfs/dbraw/zinc/17/17/72/566171772.db2.gz VQEFFCYQWFOPDX-OAHLLOKOSA-N 1 0 384.263 2.876 20 0 GFADRO C[NH+](C)C1CCN(S(=O)(=O)c2cc(Cl)cc(Br)c2)CC1 ZINC000656872827 566172363 /nfs/dbraw/zinc/17/23/63/566172363.db2.gz AJUKRIGHQVNJPK-UHFFFAOYSA-N 1 0 381.723 2.817 20 0 GFADRO CC(C)(C[NH2+]C[C@H](O)COc1cc(Cl)cc(Cl)c1)C1(O)CCOCC1 ZINC000634717365 566172628 /nfs/dbraw/zinc/17/26/28/566172628.db2.gz KHJAHZXZFVEFCJ-HNNXBMFYSA-N 1 0 392.323 2.890 20 0 GFADRO O=C(NCCCc1ccc(Br)cc1F)N[C@H]1CC12CC[NH2+]CC2 ZINC000612973820 566180476 /nfs/dbraw/zinc/18/04/76/566180476.db2.gz MMSSMFFBZIFKHP-HNNXBMFYSA-N 1 0 384.293 2.962 20 0 GFADRO O=C(N[C@H]1CC12CC[NH2+]CC2)N1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000612996144 566181342 /nfs/dbraw/zinc/18/13/42/566181342.db2.gz OFPCMRYNLHBTPA-INIZCTEOSA-N 1 0 383.323 2.967 20 0 GFADRO Cc1cc(Br)c2c(c1)CN(C(=O)N[C@H]1CC13CC[NH2+]CC3)CC2 ZINC000612982950 566181456 /nfs/dbraw/zinc/18/14/56/566181456.db2.gz KVFKUSSDCJRRMM-INIZCTEOSA-N 1 0 378.314 2.967 20 0 GFADRO O=S1(=O)CCC[C@H]([NH2+][C@@H]2CCN(c3ccccc3C(F)(F)F)C2)CC1 ZINC000634977289 566187013 /nfs/dbraw/zinc/18/70/13/566187013.db2.gz VZBOXDKFZWDPED-UONOGXRCSA-N 1 0 376.444 2.841 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCNC(=O)CC1)c1ccc(Br)cc1OCCCO ZINC000634981639 566188715 /nfs/dbraw/zinc/18/87/15/566188715.db2.gz OABKRPAYYHPLJC-JSGCOSHPSA-N 1 0 385.302 2.530 20 0 GFADRO COc1ccc([C@H](NCc2c(Br)cnn2C)[C@@H]2CCC[NH2+]2)cc1 ZINC000635024380 566189686 /nfs/dbraw/zinc/18/96/86/566189686.db2.gz XJIITHSUIYTHIO-RDJZCZTQSA-N 1 0 379.302 2.774 20 0 GFADRO O=C(NCC1([NH+]2CCSCC2)CCCC1)C(=O)Nc1cscc1Cl ZINC000635030949 566190304 /nfs/dbraw/zinc/19/03/04/566190304.db2.gz JAIPVPSDKTUFTE-UHFFFAOYSA-N 1 0 387.958 2.818 20 0 GFADRO O=C1N[C@@H](Cc2cc(Cl)cc(Cl)c2)C(=O)N1[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000683288220 566192829 /nfs/dbraw/zinc/19/28/29/566192829.db2.gz VUMPXVWVHQDKHP-CVEARBPZSA-N 1 0 382.291 2.941 20 0 GFADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2cc(F)c(Cl)c(N)c2Cl)C1 ZINC000635138360 566195611 /nfs/dbraw/zinc/19/56/11/566195611.db2.gz IMHIZTWDWHNDKY-JTQLQIEISA-N 1 0 378.275 2.801 20 0 GFADRO C[NH+](C)[C@@H]1CCN(c2ccc(NC(=O)c3ncc(Br)s3)nc2)C1 ZINC000683414365 566198602 /nfs/dbraw/zinc/19/86/02/566198602.db2.gz ISEJYGZNULJWMT-LLVKDONJSA-N 1 0 396.314 2.693 20 0 GFADRO CC(C)[N@@H+]1CCC[C@@H](NC(=O)c2cc(Br)cc3c2OCCO3)C1 ZINC000613575884 566202614 /nfs/dbraw/zinc/20/26/14/566202614.db2.gz FVAIJCCPLUHXRH-CYBMUJFWSA-N 1 0 383.286 2.823 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@H](CNS(=O)(=O)c2ccc(Br)cc2)C1 ZINC000657033824 566209131 /nfs/dbraw/zinc/20/91/31/566209131.db2.gz NVBUONFXPVSILA-GFCCVEGCSA-N 1 0 375.332 2.848 20 0 GFADRO CC(=O)Nc1ccc(S(=O)(=O)NC[C@H]2CC[N@@H+](C(C)(C)C)C2)cc1Cl ZINC000657034698 566210150 /nfs/dbraw/zinc/21/01/50/566210150.db2.gz UVXNTCMZCPWPMB-CYBMUJFWSA-N 1 0 387.933 2.697 20 0 GFADRO O=C1[C@H]([NH2+]Cc2cnc3ccccn23)CCN1c1cccc(Br)c1 ZINC000683707301 566210211 /nfs/dbraw/zinc/21/02/11/566210211.db2.gz JZHIBBHQVUJYQG-MRXNPFEDSA-N 1 0 385.265 2.992 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@H]1CNS(=O)(=O)Cc1ccc(Br)cc1 ZINC000657035440 566210188 /nfs/dbraw/zinc/21/01/88/566210188.db2.gz TZRIHGMYZKBNEY-AWEZNQCLSA-N 1 0 375.332 2.741 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@H](CNS(=O)(=O)c2ccc(F)c(Br)c2)C1 ZINC000657035574 566211085 /nfs/dbraw/zinc/21/10/85/566211085.db2.gz ZJONLYMGVPKBMP-LLVKDONJSA-N 1 0 393.322 2.987 20 0 GFADRO Cc1cc(S(=O)(=O)NCC2CC[NH+](C3CCOCC3)CC2)ccc1Cl ZINC000657042522 566211534 /nfs/dbraw/zinc/21/15/34/566211534.db2.gz VUOPRRQWBAKPMV-UHFFFAOYSA-N 1 0 386.945 2.818 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@@H](NS(=O)(=O)Cc2cc(F)ccc2Br)C1 ZINC000657059514 566214301 /nfs/dbraw/zinc/21/43/01/566214301.db2.gz HGJUDFODJXKCPQ-CYBMUJFWSA-N 1 0 393.322 2.880 20 0 GFADRO CCOc1c(Br)cc(C(=O)N2CCC3(C[NH+](C)C3)C2)cc1OC ZINC000683909560 566218559 /nfs/dbraw/zinc/21/85/59/566218559.db2.gz UQHSLJSMRZBVRC-UHFFFAOYSA-N 1 0 383.286 2.634 20 0 GFADRO CN(C)CC[NH+]1CCC(CNC(=O)c2cc(F)c(Cl)c(N)c2Cl)CC1 ZINC000635558164 566219065 /nfs/dbraw/zinc/21/90/65/566219065.db2.gz GYXOUCCTAZJCNG-UHFFFAOYSA-N 1 0 391.318 2.718 20 0 GFADRO C[N@H+](CCCO)C1CCN(C(=O)c2cc(F)c(Cl)c(N)c2Cl)CC1 ZINC000635739897 566223738 /nfs/dbraw/zinc/22/37/38/566223738.db2.gz HBOGYDZSYJAUSY-UHFFFAOYSA-N 1 0 378.275 2.634 20 0 GFADRO CC[N@H+](CCNC(=O)N1CCOc2c(Br)cccc2C1)C1CC1 ZINC000684260990 566232103 /nfs/dbraw/zinc/23/21/03/566232103.db2.gz DRBWXYLKYOFENV-UHFFFAOYSA-N 1 0 382.302 2.837 20 0 GFADRO C[N@H+](CC(=O)N1CCOc2c(Br)cccc2C1)[C@@H]1CCSC1 ZINC000684333114 566234166 /nfs/dbraw/zinc/23/41/66/566234166.db2.gz LSNJOHDWWYGQGD-CYBMUJFWSA-N 1 0 385.327 2.607 20 0 GFADRO C[NH+](C)C[C@H]1CN(C(=O)c2ncccc2Br)c2ccccc2O1 ZINC000684463477 566236378 /nfs/dbraw/zinc/23/63/78/566236378.db2.gz ZPZKGXNFVZDFAP-LBPRGKRZSA-N 1 0 376.254 2.814 20 0 GFADRO Cc1ccc(C[NH2+][C@@H]2CCC(=O)N[C@H]2c2cnn(C)c2)c(Br)c1 ZINC000275674530 570697374 /nfs/dbraw/zinc/69/73/74/570697374.db2.gz VUJKSKJJTJJFBK-WBVHZDCISA-N 1 0 377.286 2.601 20 0 GFADRO c1[nH]nc([C@@H]2CCC[N@@H+](CCc3ccc4c(c3)CCO4)C2)c1CN1CCOCC1 ZINC000275884425 570700700 /nfs/dbraw/zinc/70/07/00/570700700.db2.gz HCVKBSHAVPIZON-HXUWFJFHSA-N 1 0 396.535 2.599 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)Nc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000736265869 598876921 /nfs/dbraw/zinc/87/69/21/598876921.db2.gz DQFJAVNQLSFILF-CVEARBPZSA-N 1 0 383.500 2.985 20 0 GFADRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)NCc2cccc(-c3nn[nH]n3)c2)C1 ZINC000736267217 598879926 /nfs/dbraw/zinc/87/99/26/598879926.db2.gz MKMVRKGAOGXNBJ-WMZOPIPTSA-N 1 0 397.527 2.663 20 0 GFADRO Clc1cccc(C2(C[NH2+]Cc3cnc4ccc(-c5nn[nH]n5)cn34)CC2)c1 ZINC000737573213 598887420 /nfs/dbraw/zinc/88/74/20/598887420.db2.gz BXBJKPUHWOOWFA-UHFFFAOYSA-N 1 0 379.855 2.989 20 0 GFADRO OCCC[N@H+](CCOc1ccccc1-c1nn[nH]n1)[C@H]1CCc2ccccc21 ZINC000738393158 598897656 /nfs/dbraw/zinc/89/76/56/598897656.db2.gz FTMIIPIPRIVARQ-IBGZPJMESA-N 1 0 379.464 2.617 20 0 GFADRO C[NH+](C)Cc1c2ccccc2oc1C(=O)NCc1cccc(-c2nn[nH]n2)c1 ZINC000736772334 598903533 /nfs/dbraw/zinc/90/35/33/598903533.db2.gz ZEHLCSLKBSUOEB-UHFFFAOYSA-N 1 0 376.420 2.605 20 0 GFADRO c1ccc(C2([NH2+]CCCOc3ccc(-c4nn[nH]n4)cc3)CCOCC2)cc1 ZINC000738427541 598918426 /nfs/dbraw/zinc/91/84/26/598918426.db2.gz IWDNPVYIBLJSHP-UHFFFAOYSA-N 1 0 379.464 2.931 20 0 GFADRO C(=C/c1ccccc1)\C[NH+]1CCN(c2c3ccccc3nnc2-c2nn[nH]n2)CC1 ZINC000735390719 598954205 /nfs/dbraw/zinc/95/42/05/598954205.db2.gz DBBRLCOFJZBNFY-RMKNXTFCSA-N 1 0 398.474 2.645 20 0 GFADRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)cc1C ZINC000737322593 598961471 /nfs/dbraw/zinc/96/14/71/598961471.db2.gz ZPMDQRVSGAIBBM-HNAYVOBHSA-N 1 0 376.464 2.940 20 0 GFADRO Cc1ccc(C[N@H+](CC(=O)NCc2ccc(-c3nn[nH]n3)cc2)C2CC2)cc1C ZINC000737343141 598992241 /nfs/dbraw/zinc/99/22/41/598992241.db2.gz VXRQADKRLZRYSZ-UHFFFAOYSA-N 1 0 390.491 2.764 20 0 GFADRO COc1ccc([C@@H]2[C@H](COC(=O)c3sccc3-c3nn[nH]n3)CC[N@@H+]2C)cc1 ZINC000737073955 599028332 /nfs/dbraw/zinc/02/83/32/599028332.db2.gz CUGMAXKKICBFGA-XJKSGUPXSA-N 1 0 399.476 2.787 20 0 GFADRO CC[NH+](CC)CC1CCN(c2nc(C(F)(F)F)ccc2-c2nn[nH]n2)CC1 ZINC000736535572 599043714 /nfs/dbraw/zinc/04/37/14/599043714.db2.gz YWFVRLCNDZTGLT-UHFFFAOYSA-N 1 0 383.422 2.839 20 0 GFADRO FC(F)(F)c1ccc(-c2nn[nH]n2)c(N2CCC(C[NH+]3CCCC3)CC2)n1 ZINC000737632102 599044473 /nfs/dbraw/zinc/04/44/73/599044473.db2.gz JYJJMNLUMSDJBI-UHFFFAOYSA-N 1 0 381.406 2.593 20 0 GFADRO Fc1ccc(Cl)c2c1ncc(-c1nn[nH]n1)c2N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000822775548 599048996 /nfs/dbraw/zinc/04/89/96/599048996.db2.gz XRJBIFVAKZFAIM-NSHDSACASA-N 1 0 385.834 2.658 20 0 GFADRO O=C(OCc1ccc(-c2nn[nH]n2)cc1)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000738235862 599057541 /nfs/dbraw/zinc/05/75/41/599057541.db2.gz BBIPKKWSMDXJKD-GOSISDBHSA-N 1 0 395.438 2.961 20 0 GFADRO C[NH+](C)CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)[C@@H]1C[C@H]1C1CCCCC1 ZINC000736768189 599075599 /nfs/dbraw/zinc/07/55/99/599075599.db2.gz XLGCFNMUKMCETN-VQTJNVASSA-N 1 0 396.539 2.973 20 0 GFADRO NC(=O)[C@H](c1ccc(-c2nn[nH]n2)cc1)[N@@H+]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000737737552 599077798 /nfs/dbraw/zinc/07/77/98/599077798.db2.gz ADRCBMDFTNNAFI-WBVHZDCISA-N 1 0 382.855 2.536 20 0 GFADRO COCCC[N@H+](CCc1ccc(OC)cc1)Cc1cccc(-c2nn[nH]n2)c1 ZINC000736980345 599080791 /nfs/dbraw/zinc/08/07/91/599080791.db2.gz DLPRHFSRNPYPCD-UHFFFAOYSA-N 1 0 381.480 2.957 20 0 GFADRO C[N@@H+]1CCC[C@@H](CNC(=O)c2cccc(-c3nn[nH]n3)c2)[C@@H]1c1cccs1 ZINC000736857529 599085302 /nfs/dbraw/zinc/08/53/02/599085302.db2.gz OOAIJSRSMHKYFT-DOTOQJQBSA-N 1 0 382.493 2.741 20 0 GFADRO COCC[N@H+](C)Cc1ccc(OCc2cccc(-c3nn[nH]n3)c2)c(OC)c1 ZINC000736990541 599208657 /nfs/dbraw/zinc/20/86/57/599208657.db2.gz PGQZOGJRFOXMJE-UHFFFAOYSA-N 1 0 383.452 2.533 20 0 GFADRO C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)CCCCOc1cccc(-c2nn[nH]n2)c1 ZINC000736295492 599227056 /nfs/dbraw/zinc/22/70/56/599227056.db2.gz VFMSDUOBUWILPE-AEFFLSMTSA-N 1 0 398.511 2.501 20 0 GFADRO C[C@H]1C[NH+](CCCNc2ccc(Br)cc2-c2nn[nH]n2)C[C@H](C)O1 ZINC000736284888 599361077 /nfs/dbraw/zinc/36/10/77/599361077.db2.gz HLRDGYIKDIXEQN-RYUDHWBXSA-N 1 0 395.305 2.540 20 0 GFADRO c1coc([C@@H](CNc2c(-c3nn[nH]n3)cnc3ccccc32)[NH+]2CCCC2)c1 ZINC000738449766 599258501 /nfs/dbraw/zinc/25/85/01/599258501.db2.gz VUJMMBNVMNDJBG-QGZVFWFLSA-N 1 0 375.436 2.679 20 0 GFADRO CC[NH+](CC)CCNC(=O)c1cccc(NCc2ccc(-c3nn[nH]n3)s2)c1 ZINC000821188550 607312414 /nfs/dbraw/zinc/31/24/14/607312414.db2.gz ADDCJLYKUNJOFF-UHFFFAOYSA-N 1 0 399.524 2.612 20 0 GFADRO CC(C)n1c(Sc2cccc(F)c2-c2nn[nH]n2)nnc1C1CC[NH2+]CC1 ZINC000735961921 599266062 /nfs/dbraw/zinc/26/60/62/599266062.db2.gz WVUFLBSHJCCGIJ-UHFFFAOYSA-N 1 0 388.476 2.796 20 0 GFADRO Cc1cc(C)cc(OCC[NH+]2CCN(c3ccccc3-c3nn[nH]n3)CC2)c1 ZINC000737256163 598253260 /nfs/dbraw/zinc/25/32/60/598253260.db2.gz LAQZFXVTSCKDLF-UHFFFAOYSA-N 1 0 378.480 2.685 20 0 GFADRO CCCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000736480894 598257175 /nfs/dbraw/zinc/25/71/75/598257175.db2.gz OJJUIKUITLEZOJ-UHFFFAOYSA-N 1 0 385.516 2.663 20 0 GFADRO C[C@H](CNC(=S)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)[N@@H+]1CCC[C@H](C)C1 ZINC000736268577 598320196 /nfs/dbraw/zinc/32/01/96/598320196.db2.gz YFYDYMQLEVJBJT-NWDGAFQWSA-N 1 0 393.948 2.927 20 0 GFADRO C[C@H]1CCC[N@H+](CCNC(=S)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)C1 ZINC000736268538 598320349 /nfs/dbraw/zinc/32/03/49/598320349.db2.gz XVGBENQJPIZIBC-NSHDSACASA-N 1 0 379.921 2.538 20 0 GFADRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=S)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000736266791 598322180 /nfs/dbraw/zinc/32/21/80/598322180.db2.gz PCOIJFNWHMARLC-VXGBXAGGSA-N 1 0 393.948 2.927 20 0 GFADRO COCCN1CC[N@H+](Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)C[C@@H]1C ZINC000737003260 598367613 /nfs/dbraw/zinc/36/76/13/598367613.db2.gz FUYKIRKAEHDSQI-KRWDZBQOSA-N 1 0 392.507 2.686 20 0 GFADRO O=C(c1ccccc1-c1ccccc1-c1nn[nH]n1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000738277936 598421277 /nfs/dbraw/zinc/42/12/77/598421277.db2.gz IDWVMHDNKSKWAY-MRXNPFEDSA-N 1 0 388.475 2.844 20 0 GFADRO CCC[C@@H]([NH2+]Cc1ccc(-c2nn[nH]n2)cc1)C(=O)N1CCc2sccc2C1 ZINC000736435996 598423266 /nfs/dbraw/zinc/42/32/66/598423266.db2.gz ZCWRYJWJIPUBJA-QGZVFWFLSA-N 1 0 396.520 2.771 20 0 GFADRO CC(C)N(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)NCC[NH+](C(C)C)C(C)C ZINC000735874824 598427831 /nfs/dbraw/zinc/42/78/31/598427831.db2.gz MNPBCXFCLBYCRI-UHFFFAOYSA-N 1 0 387.532 2.906 20 0 GFADRO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736827319 598454974 /nfs/dbraw/zinc/45/49/74/598454974.db2.gz AMCJZJVADWEJPO-UHFFFAOYSA-N 1 0 390.491 2.851 20 0 GFADRO c1ccc2ncc(C[NH2+]C3CCN(c4ccc(-c5nn[nH]n5)cn4)CC3)cc2c1 ZINC000738441488 598467098 /nfs/dbraw/zinc/46/70/98/598467098.db2.gz KLJGPIJQSFGOBH-UHFFFAOYSA-N 1 0 386.463 2.569 20 0 GFADRO O=C(Nc1ccc(-c2nn[nH]n2)c(Cl)c1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000738152095 598484992 /nfs/dbraw/zinc/48/49/92/598484992.db2.gz NJPGPARSKNZBQQ-CYBMUJFWSA-N 1 0 375.864 2.612 20 0 GFADRO CC(C)(C)C[C@H]([NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1ccccc1 ZINC000735593540 598521109 /nfs/dbraw/zinc/52/11/09/598521109.db2.gz JPCITIKPVORSDB-PBHICJAKSA-N 1 0 380.500 2.872 20 0 GFADRO C[C@H]([NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1cc2ccccc2s1 ZINC000736137248 598531210 /nfs/dbraw/zinc/53/12/10/598531210.db2.gz WJJIMIASIZOMQX-NWDGAFQWSA-N 1 0 380.481 2.670 20 0 GFADRO c1cc(OCC[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCO3)cc(-c2nn[nH]n2)c1 ZINC000738418422 598614976 /nfs/dbraw/zinc/61/49/76/598614976.db2.gz HHGJPSCLCWCCMS-KRWDZBQOSA-N 1 0 379.420 2.811 20 0 GFADRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)N(Cc1ccc(-c2nn[nH]n2)cc1)CC(C)C ZINC000736569018 598716899 /nfs/dbraw/zinc/71/68/99/598716899.db2.gz FRHRHCYHUUNKLO-LJQANCHMSA-N 1 0 399.543 2.909 20 0 GFADRO CC[C@H](C)[C@@H](O)C[NH2+]Cc1cccc(OCc2ccccc2-c2nn[nH]n2)c1 ZINC000736329665 598778283 /nfs/dbraw/zinc/77/82/83/598778283.db2.gz KDOHCDQHSFOJSG-YWZLYKJASA-N 1 0 381.480 2.942 20 0 GFADRO Cc1ccccc1[C@@H](CC(C)C)[NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000737424018 598778531 /nfs/dbraw/zinc/77/85/31/598778531.db2.gz UERPDGYTVVFDRG-MAUKXSAKSA-N 1 0 380.500 2.790 20 0 GFADRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)Nc2ccc(-c3nn[nH]n3)c(C(F)(F)F)c2)C1 ZINC000820127572 599293541 /nfs/dbraw/zinc/29/35/41/599293541.db2.gz JQPSAXFJDNEPCB-NSHDSACASA-N 1 0 397.405 2.737 20 0 GFADRO COc1ccc(CN2CC[NH+]([C@@H](C)c3ccc(-c4nn[nH]n4)cc3)CC2)cc1F ZINC000737091285 599308181 /nfs/dbraw/zinc/30/81/81/599308181.db2.gz SGFPTAXDWZQWOO-HNNXBMFYSA-N 1 0 396.470 2.893 20 0 GFADRO C[C@H](c1ccc(-c2nn[nH]n2)cc1)[N@@H+]1CCN(C[C@@H](O)c2ccccc2)[C@H](C)C1 ZINC000736288342 599316854 /nfs/dbraw/zinc/31/68/54/599316854.db2.gz AQQNLKRJTSMTBH-CBGDNZLLSA-N 1 0 392.507 2.667 20 0 GFADRO CC(C)n1ccnc1CN1CCC[N@@H+]([C@@H](C)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736197664 599317107 /nfs/dbraw/zinc/31/71/07/599317107.db2.gz NKMPYQPJYPCXED-KRWDZBQOSA-N 1 0 394.527 2.913 20 0 GFADRO Cc1cccnc1[C@H]([NH2+][C@H](C)C(=O)Nc1ccccc1-c1nn[nH]n1)C(C)C ZINC000737436037 599355622 /nfs/dbraw/zinc/35/56/22/599355622.db2.gz QNECVTSGNZQFOL-RHSMWYFYSA-N 1 0 379.468 2.884 20 0 GFADRO C[C@H]([NH2+]Cc1ccccc1CN1CCOCC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000820438846 599362674 /nfs/dbraw/zinc/36/26/74/599362674.db2.gz XWNRQNBMNPUEES-INIZCTEOSA-N 1 0 378.480 2.550 20 0 GFADRO CCOc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2cccc(-c3nn[nH]n3)c2)cc1 ZINC000821421688 599389186 /nfs/dbraw/zinc/38/91/86/599389186.db2.gz CQSVJUZYEBZUSM-KBPBESRZSA-N 1 0 380.452 2.943 20 0 GFADRO C[C@H]([NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1)C(=O)NCc1ccccc1Cl ZINC000820411640 599389632 /nfs/dbraw/zinc/38/96/32/599389632.db2.gz IZMZPEDSRIZMDM-STQMWFEESA-N 1 0 384.871 2.876 20 0 GFADRO COc1cc(C)c(C[NH+]2CCN(c3ccccc3-c3nn[nH]n3)CC2)cc1OC ZINC000821708687 599402137 /nfs/dbraw/zinc/40/21/37/599402137.db2.gz WFGZVGDLMOWSAD-UHFFFAOYSA-N 1 0 394.479 2.515 20 0 GFADRO CCCC(=O)Nc1ccc(C[NH2+]Cc2ccc(OC)c(-c3nn[nH]n3)c2)cc1 ZINC000821008733 599406546 /nfs/dbraw/zinc/40/65/46/599406546.db2.gz KNOCSUMSIYDCDD-UHFFFAOYSA-N 1 0 380.452 2.904 20 0 GFADRO C[C@H](NC(=O)NCC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1)c1cccc(-c2nn[nH]n2)c1 ZINC000820650167 599422765 /nfs/dbraw/zinc/42/27/65/599422765.db2.gz RHMSMBRHBWYNMN-OAGGEKHMSA-N 1 0 399.543 2.983 20 0 GFADRO C[C@@H](CNC(=O)N[C@@H](C)c1cccc(-c2nn[nH]n2)c1)[N@H+](C)Cc1ccccc1 ZINC000820358570 599437856 /nfs/dbraw/zinc/43/78/56/599437856.db2.gz NRKZQCOOUUQKJP-HOTGVXAUSA-N 1 0 393.495 2.747 20 0 GFADRO O[C@H]1CCC[C@H]1C[NH2+]Cc1cccc(OCc2ccccc2-c2nn[nH]n2)c1 ZINC000823697374 599459129 /nfs/dbraw/zinc/45/91/29/599459129.db2.gz KIKXJOUBHZQGRY-JXFKEZNVSA-N 1 0 379.464 2.696 20 0 GFADRO c1cc2nccc(N3CC[NH+](Cc4ccc(-c5nn[nH]n5)cc4)CC3)c2s1 ZINC000823757049 599466401 /nfs/dbraw/zinc/46/64/01/599466401.db2.gz KEFQPLXUTKCCCR-UHFFFAOYSA-N 1 0 377.477 2.799 20 0 GFADRO Fc1ccccc1CSCC[NH2+]Cc1cnc2ccc(-c3nn[nH]n3)cn12 ZINC000737669063 599483560 /nfs/dbraw/zinc/48/35/60/599483560.db2.gz ISLZAWZSOOFYBZ-UHFFFAOYSA-N 1 0 383.456 2.677 20 0 GFADRO c1nc2ccc(-c3nn[nH]n3)cn2c1CNCC1([NH+]2CCCCC2)CCCCC1 ZINC000738421096 599483607 /nfs/dbraw/zinc/48/36/07/599483607.db2.gz PEOPAZZAJOJNQF-UHFFFAOYSA-N 1 0 394.527 2.793 20 0 GFADRO c1nc2ccc(-c3nn[nH]n3)cn2c1C[NH2+]CCCCOCc1ccccc1 ZINC000738432230 599489646 /nfs/dbraw/zinc/48/96/46/599489646.db2.gz FJAKRZHQBJHXQP-UHFFFAOYSA-N 1 0 377.452 2.601 20 0 GFADRO Cc1ccc(C(C)(C)C[N@H+](C)C[C@@H](O)COc2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000822227429 599583719 /nfs/dbraw/zinc/58/37/19/599583719.db2.gz IJCWHLTXLMHMCY-LJQANCHMSA-N 1 0 395.507 2.824 20 0 GFADRO CN(Cc1cc(-c2nn[nH]n2)ccc1F)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000821607292 599592916 /nfs/dbraw/zinc/59/29/16/599592916.db2.gz IMUXEZZTNKQLCT-KRWDZBQOSA-N 1 0 380.471 2.960 20 0 GFADRO C[C@@H]1C[N@@H+](CCC(=O)Nc2sc3c(c2-c2nn[nH]n2)CCC3)C[C@H](C)S1 ZINC000820759319 599642550 /nfs/dbraw/zinc/64/25/50/599642550.db2.gz JGPDEAUODLEAKN-PHIMTYICSA-N 1 0 392.554 2.571 20 0 GFADRO COc1ccccc1C[C@H](C)[N@H+](C)CCC(=O)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000821890004 599643223 /nfs/dbraw/zinc/64/32/23/599643223.db2.gz IUEQUFGTCSZZIB-HNNXBMFYSA-N 1 0 394.479 2.767 20 0 GFADRO CC(C)[N@H+](C)CC1CCN(C(=O)N[C@@H](C)c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000820341640 599680677 /nfs/dbraw/zinc/68/06/77/599680677.db2.gz QXBMZKRUKGROBH-HNNXBMFYSA-N 1 0 385.516 2.690 20 0 GFADRO C[C@H](NC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1)c1cccc(-c2nn[nH]n2)c1 ZINC000820353329 599681173 /nfs/dbraw/zinc/68/11/73/599681173.db2.gz YGNKILLBGMWYRC-MAUKXSAKSA-N 1 0 383.500 2.588 20 0 GFADRO CC1(C)C(C(=O)N2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)C1(C)C ZINC000820584871 599695745 /nfs/dbraw/zinc/69/57/45/599695745.db2.gz KRHWKKPCLDMUNQ-UHFFFAOYSA-N 1 0 382.512 2.583 20 0 GFADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1ccc(OC(C)C)c(-c2nn[nH]n2)c1 ZINC000821253530 607431269 /nfs/dbraw/zinc/43/12/69/607431269.db2.gz GIKUORCZCXZFRH-CVEARBPZSA-N 1 0 399.499 2.744 20 0 GFADRO O=C(C[N@@H+]1CCC[C@H](Cc2ccccc2)C1)Nc1sccc1-c1nn[nH]n1 ZINC000822996340 607451951 /nfs/dbraw/zinc/45/19/51/607451951.db2.gz CSXJMCCLSVNNPZ-OAHLLOKOSA-N 1 0 382.493 2.821 20 0 GFADRO CC(C)[NH+](CCCNC(=O)NC1(c2cccc(-c3nn[nH]n3)c2)CC1)C(C)C ZINC000824288952 607458035 /nfs/dbraw/zinc/45/80/35/607458035.db2.gz RCHVDYVJBLBQSX-UHFFFAOYSA-N 1 0 385.516 2.664 20 0 GFADRO O=C([O-])[C@H]([NH2+]CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1)c1ccccc1F ZINC000833167614 600749467 /nfs/dbraw/zinc/74/94/67/600749467.db2.gz ORWNERHIVLSUFC-NHCUHLMSSA-N 1 0 386.467 2.987 20 0 GFADRO CCOC(=O)C(F)(F)[C@@H]1CCC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC000821319252 607466410 /nfs/dbraw/zinc/46/64/10/607466410.db2.gz CKWYEGHBZSHUAC-KGLIPLIRSA-N 1 0 397.401 2.853 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@@H+]1Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC000824892393 607474091 /nfs/dbraw/zinc/47/40/91/607474091.db2.gz HROUMVOHKZCOFN-OCCSQVGLSA-N 1 0 390.463 2.883 20 0 GFADRO O[C@H](C[C@@H]1CCC[N@@H+]1CCOc1ccccc1-c1nn[nH]n1)c1ccc(F)cc1 ZINC000826503237 607475929 /nfs/dbraw/zinc/47/59/29/607475929.db2.gz TZCCKTAMBSHKGP-PKOBYXMFSA-N 1 0 397.454 2.973 20 0 GFADRO O=c1ccccn1Cc1ccc(C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)cc1 ZINC000823665437 607476055 /nfs/dbraw/zinc/47/60/55/607476055.db2.gz JSVKEOBFKLEVPN-UHFFFAOYSA-N 1 0 390.422 2.506 20 0 GFADRO CC(C)(C)OC(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC000819933181 607476063 /nfs/dbraw/zinc/47/60/63/607476063.db2.gz ITJVJXAPCKVCKR-OAHLLOKOSA-N 1 0 390.463 2.885 20 0 GFADRO O[C@@H](C[C@@H]1CCC[N@@H+]1CCOc1ccccc1-c1nn[nH]n1)c1ccc(F)cc1 ZINC000826503234 607476544 /nfs/dbraw/zinc/47/65/44/607476544.db2.gz TZCCKTAMBSHKGP-HKUYNNGSSA-N 1 0 397.454 2.973 20 0 GFADRO COc1cccc(N2CC[C@@H](C[NH2+]Cc3ccc(-c4nn[nH]n4)cc3F)C2)c1 ZINC000821873810 607479716 /nfs/dbraw/zinc/47/97/16/607479716.db2.gz YOLHFGJYIOOYCG-AWEZNQCLSA-N 1 0 382.443 2.631 20 0 GFADRO Fc1cc(-c2nn[nH]n2)ccc1C[NH2+]CCNc1ccc(-c2ccccc2)nn1 ZINC000822740007 607479818 /nfs/dbraw/zinc/47/98/18/607479818.db2.gz GDZKCJDYCHRSFC-UHFFFAOYSA-N 1 0 390.426 2.665 20 0 GFADRO Fc1ccc(-n2ccc(CC[NH2+]Cc3ccc(-c4nn[nH]n4)cc3F)n2)cc1 ZINC000822761659 607484154 /nfs/dbraw/zinc/48/41/54/607484154.db2.gz QPXJDWKEANXNBV-UHFFFAOYSA-N 1 0 381.390 2.663 20 0 GFADRO COc1ccc(C[N@H+](C)[C@@H](C)c2ccc([S@](C)=O)cc2)cc1-c1nn[nH]n1 ZINC000826192199 607511050 /nfs/dbraw/zinc/51/10/50/607511050.db2.gz DFGSRBJKBGTFPL-CEXHIMGSSA-N 1 0 385.493 2.806 20 0 GFADRO C[C@@H](C(=O)N1CCC(C(=O)[O-])CC1)[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000828259000 602054646 /nfs/dbraw/zinc/05/46/46/602054646.db2.gz VTOACNZCOFRSRO-ROUUACIJSA-N 1 0 393.572 2.675 20 0 GFADRO CC[NH+](CC)Cc1ccc(C(=O)NCc2ccc(OC)c(-c3nn[nH]n3)c2)cc1 ZINC000825418053 607590440 /nfs/dbraw/zinc/59/04/40/607590440.db2.gz WJYUEURDSFVWHX-UHFFFAOYSA-N 1 0 394.479 2.647 20 0 GFADRO C[C@@H]1C[NH+](Cc2ccc(C[NH2+]C[C@@H]3CCCN(C(=O)[O-])C3)cc2)C[C@@H](C)O1 ZINC000739186071 603265246 /nfs/dbraw/zinc/26/52/46/603265246.db2.gz DVAKMOSSWSUJFQ-HLIPFELVSA-N 1 0 375.513 2.775 20 0 GFADRO COc1ccc(-c2nn[nH]n2)cc1C[N@H+](CCCO)[C@@H]1CCc2ccccc21 ZINC000826181479 607639244 /nfs/dbraw/zinc/63/92/44/607639244.db2.gz AGKYEPGFWMGSJD-LJQANCHMSA-N 1 0 379.464 2.747 20 0 GFADRO O=C([O-])N1CCC(CC[NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)CC1 ZINC000831874742 604230057 /nfs/dbraw/zinc/23/00/57/604230057.db2.gz NWLGUGIFCXGJJR-UHFFFAOYSA-N 1 0 375.513 2.513 20 0 GFADRO C[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)C[C@H](O)Cc1ccccc1C(F)(F)F ZINC000825957860 607686921 /nfs/dbraw/zinc/68/69/21/607686921.db2.gz IKGIEKWWJWUSCG-MRXNPFEDSA-N 1 0 391.397 2.921 20 0 GFADRO Cc1cc(-c2nn[nH]n2)ccc1C(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000826243325 607698443 /nfs/dbraw/zinc/69/84/43/607698443.db2.gz DAMIXROKZKETDD-GOSISDBHSA-N 1 0 390.491 2.769 20 0 GFADRO Cc1cc(-c2nn[nH]n2)ccc1C(=O)N[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000826246496 607704678 /nfs/dbraw/zinc/70/46/78/607704678.db2.gz FOKAXOAOTPNOIW-CRAIPNDOSA-N 1 0 376.464 2.568 20 0 GFADRO O=C([O-])CCC[NH+]1CCC([NH2+]CC2(c3ccc(F)cc3)CCOCC2)CC1 ZINC000833773004 605219284 /nfs/dbraw/zinc/21/92/84/605219284.db2.gz FIWNDKMTJQXOAA-UHFFFAOYSA-N 1 0 378.488 2.793 20 0 GFADRO O=C([O-])N1CCC[C@H]([NH2+]CCCOC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000834100592 605622864 /nfs/dbraw/zinc/62/28/64/605622864.db2.gz NVBVTYLGDHBBML-IBGZPJMESA-N 1 0 375.513 2.790 20 0 GFADRO C[N@H+](CCC(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)Cc1cccc(O)c1 ZINC000821597937 606069809 /nfs/dbraw/zinc/06/98/09/606069809.db2.gz LTMNREMBRYELKQ-UHFFFAOYSA-N 1 0 386.843 2.686 20 0 GFADRO Cc1sc(NC(=O)C[N@@H+](C)C2Cc3ccccc3C2)c(-c2nn[nH]n2)c1C ZINC000822557974 606108411 /nfs/dbraw/zinc/10/84/11/606108411.db2.gz LFEXHKDFHJISSW-UHFFFAOYSA-N 1 0 382.493 2.583 20 0 GFADRO C[C@@H]1[C@H](Cc2ccccc2)CC[N@@H+]1CC(=O)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000820643771 606112228 /nfs/dbraw/zinc/11/22/28/606112228.db2.gz ZGGSWFFQJSSXQQ-QAPCUYQASA-N 1 0 376.464 2.758 20 0 GFADRO O=C(CC[NH+]1C[C@@H]2CCCC[C@H]2C1)Nc1sc2c(c1-c1nn[nH]n1)CCC2 ZINC000822964854 606116396 /nfs/dbraw/zinc/11/63/96/606116396.db2.gz RABZEFQMYKEHTO-STQMWFEESA-N 1 0 386.525 2.868 20 0 GFADRO O=C(C=Cc1ccccc1-c1nn[nH]n1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000822930042 606125650 /nfs/dbraw/zinc/12/56/50/606125650.db2.gz XUNOSNFDVJRRAY-KHPPLWFESA-N 1 0 380.496 2.793 20 0 GFADRO Cc1ccc(CNC(=O)C2CC[NH+](Cc3ccccc3-c3nn[nH]n3)CC2)cc1 ZINC000822237091 606160161 /nfs/dbraw/zinc/16/01/61/606160161.db2.gz DUYYMUFLCXNDJM-UHFFFAOYSA-N 1 0 390.491 2.704 20 0 GFADRO CN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000821608408 606163337 /nfs/dbraw/zinc/16/33/37/606163337.db2.gz FZPDIIGMXANZCP-UHFFFAOYSA-N 1 0 397.527 2.805 20 0 GFADRO O[C@@H](C[C@@H]1CCC[N@@H+]1CCOc1ccc(-c2nn[nH]n2)cc1)c1cccs1 ZINC000823672387 606186346 /nfs/dbraw/zinc/18/63/46/606186346.db2.gz DMVNZSUFHLOZQS-RDJZCZTQSA-N 1 0 385.493 2.895 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)Cc2ccc(-c3nn[nH]n3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000820657999 606187310 /nfs/dbraw/zinc/18/73/10/606187310.db2.gz NXIRYKBPTKVSRM-UZLBHIALSA-N 1 0 390.491 2.579 20 0 GFADRO CC[C@@H](C)[C@@H]1CCCC[N@@H+]1CCS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000820859606 606189079 /nfs/dbraw/zinc/18/90/79/606189079.db2.gz GCXNXTYFJFGYCN-PBHICJAKSA-N 1 0 377.514 2.541 20 0 GFADRO COc1ccc(C[NH2+][C@@H]2CCN(c3cccc(Cl)c3)C2)cc1-c1nn[nH]n1 ZINC000821810207 606204436 /nfs/dbraw/zinc/20/44/36/606204436.db2.gz XKUNZIPEYWMDCG-OAHLLOKOSA-N 1 0 384.871 2.897 20 0 GFADRO Cc1ccccc1[C@H]([NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1)C(C)(C)C ZINC000822350719 606205930 /nfs/dbraw/zinc/20/59/30/606205930.db2.gz GFTCELNYOHTIHA-PBHICJAKSA-N 1 0 380.500 2.790 20 0 GFADRO CC1(C)CN(C2(C[NH2+]Cc3cc(-c4nn[nH]n4)cs3)CCCCC2)CCO1 ZINC000820601983 606218283 /nfs/dbraw/zinc/21/82/83/606218283.db2.gz XFXWXUFDLWSROA-UHFFFAOYSA-N 1 0 390.557 2.832 20 0 GFADRO CC[C@H]1Oc2cc([C@H](C)[NH2+]Cc3cc(-c4nn[nH]n4)cs3)ccc2NC1=O ZINC000821000861 606224418 /nfs/dbraw/zinc/22/44/18/606224418.db2.gz KNMPHTSHMVMTTM-ZUZCIYMTSA-N 1 0 384.465 2.889 20 0 GFADRO CCN(C(=O)c1cc(-c2nn[nH]n2)cn1C)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000821154825 606281563 /nfs/dbraw/zinc/28/15/63/606281563.db2.gz SIPWCDGPUPFVFA-QAPCUYQASA-N 1 0 393.495 2.503 20 0 GFADRO O=C(Nc1cc(-c2nn[nH]n2)ccc1O)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000823290628 606297202 /nfs/dbraw/zinc/29/72/02/606297202.db2.gz ZPTWAGCZJCTINA-HNNXBMFYSA-N 1 0 396.426 2.562 20 0 GFADRO C[C@H]([NH2+]CC1(CN2CCOCC2)CCCCC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000820420933 606308951 /nfs/dbraw/zinc/30/89/51/606308951.db2.gz YFBZEDBUPZDSQF-KRWDZBQOSA-N 1 0 384.528 2.800 20 0 GFADRO Cc1ccccc1[C@H]1CC[N@@H+]([C@@H]2CCN(c3sccc3-c3nn[nH]n3)C2=O)C1 ZINC000822350185 606319698 /nfs/dbraw/zinc/31/96/98/606319698.db2.gz BEOAQJGCUBTKDT-WMLDXEAASA-N 1 0 394.504 2.831 20 0 GFADRO O=C(Nc1ccc(F)cc1-c1nn[nH]n1)NC1CC[NH+](CC2CCCC2)CC1 ZINC000823344110 606354907 /nfs/dbraw/zinc/35/49/07/606354907.db2.gz QUFWLQVRJMLNIK-UHFFFAOYSA-N 1 0 387.463 2.782 20 0 GFADRO Clc1cc(CC[NH2+]Cc2ccc(-c3nn[nH]n3)s2)cc2c1OCCO2 ZINC000822567914 606407490 /nfs/dbraw/zinc/40/74/90/606407490.db2.gz ITIKRONUHCOANS-UHFFFAOYSA-N 1 0 377.857 2.685 20 0 GFADRO Cc1cc([C@@H](C)[NH2+][C@H]2CCN(c3sccc3-c3nn[nH]n3)C2=O)ccc1F ZINC000822191848 606416811 /nfs/dbraw/zinc/41/68/11/606416811.db2.gz SILYKDKHGIDOKA-ABAIWWIYSA-N 1 0 386.456 2.832 20 0 GFADRO Cc1cc([C@H](C)[NH2+][C@@H]2CCN(c3sccc3-c3nn[nH]n3)C2=O)ccc1F ZINC000822191851 606417303 /nfs/dbraw/zinc/41/73/03/606417303.db2.gz SILYKDKHGIDOKA-XHDPSFHLSA-N 1 0 386.456 2.832 20 0 GFADRO C[C@H]1CN([C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)c2cccs2)CCO1 ZINC000820752812 606417763 /nfs/dbraw/zinc/41/77/63/606417763.db2.gz RYLOYXFDVCDXDW-JSGCOSHPSA-N 1 0 390.538 2.541 20 0 GFADRO FC(F)Oc1ccccc1N1CC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC000822737244 606420585 /nfs/dbraw/zinc/42/05/85/606420585.db2.gz RQMPCCYPEKAULQ-NSHDSACASA-N 1 0 392.435 2.898 20 0 GFADRO C[C@@H]1CC(C)(C)C[C@@](CO)([NH2+]Cc2nnc(-c3ccc(-c4nn[nH]n4)cc3)o2)C1 ZINC000820650667 606433964 /nfs/dbraw/zinc/43/39/64/606433964.db2.gz XGZOEUOYHLQXCF-XCLFUZPHSA-N 1 0 397.483 2.584 20 0 GFADRO c1ccc(CCCO[C@H]2CC[N@H+](CCOc3cccc(-c4nn[nH]n4)c3)C2)cc1 ZINC000823779411 606456066 /nfs/dbraw/zinc/45/60/66/606456066.db2.gz CQDWQFPLDRQJFZ-NRFANRHFSA-N 1 0 393.491 2.969 20 0 GFADRO OCC1CC[NH+](Cc2ccccc2NCc2cc(-c3nn[nH]n3)ccc2F)CC1 ZINC000823715531 606456230 /nfs/dbraw/zinc/45/62/30/606456230.db2.gz SZGIRLDEYSKDLJ-UHFFFAOYSA-N 1 0 396.470 2.822 20 0 GFADRO Cc1nnc([C@H]2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3OC(F)F)C2)o1 ZINC000822510831 606487750 /nfs/dbraw/zinc/48/77/50/606487750.db2.gz WPCGEOIZDFDPMY-ZDUSSCGKSA-N 1 0 391.382 2.539 20 0 GFADRO FC(F)Oc1cc(-c2nn[nH]n2)ccc1C[N@@H+]1CCC[C@H](n2ccnc2)C1 ZINC000822731994 606489535 /nfs/dbraw/zinc/48/95/35/606489535.db2.gz HDVFTYLHUZXKOC-AWEZNQCLSA-N 1 0 375.383 2.502 20 0 GFADRO FC(F)Oc1cc(-c2nn[nH]n2)ccc1C[NH+]1CCC(n2ccnc2)CC1 ZINC000822731401 606491160 /nfs/dbraw/zinc/49/11/60/606491160.db2.gz CSIXHKYXCCGSFB-UHFFFAOYSA-N 1 0 375.383 2.502 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)Cc2ccc(-c3nn[nH]n3)cc2OC(F)F)[C@H](C)C1 ZINC000821255130 606499992 /nfs/dbraw/zinc/49/99/92/606499992.db2.gz VIUYVICJQGMVRI-IUODEOHRSA-N 1 0 380.443 2.630 20 0 GFADRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)c2cc(-c3nn[nH]n3)cs2)CC1 ZINC000820570723 606512096 /nfs/dbraw/zinc/51/20/96/606512096.db2.gz PTSBNRSBEOYEBR-CYBMUJFWSA-N 1 0 382.493 2.884 20 0 GFADRO O=C(NC[C@H]1CCCC[N@@H+]1Cc1ccccc1)c1ccc(-c2nn[nH]n2)s1 ZINC000823175381 606538921 /nfs/dbraw/zinc/53/89/21/606538921.db2.gz HDHPANPVXINOKS-OAHLLOKOSA-N 1 0 382.493 2.713 20 0 GFADRO O=C(N[C@H](C[NH+]1CCCCC1)c1ccccc1)c1cc(-c2nn[nH]n2)cs1 ZINC000823140312 606540785 /nfs/dbraw/zinc/54/07/85/606540785.db2.gz RZAYJDXQWMPANG-MRXNPFEDSA-N 1 0 382.493 2.885 20 0 GFADRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccc(-c2nn[nH]n2)s1 ZINC000821197880 606578880 /nfs/dbraw/zinc/57/88/80/606578880.db2.gz MYCCHJLJUIPSTG-MRXNPFEDSA-N 1 0 396.520 2.912 20 0 GFADRO C[C@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)c1ccc(-c2nn[nH]n2)s1 ZINC000820722943 606580614 /nfs/dbraw/zinc/58/06/14/606580614.db2.gz RXXOOACQUGFLDF-AWEZNQCLSA-N 1 0 382.493 2.665 20 0 GFADRO C[C@](CO)([NH2+]Cc1ccc(-c2nn[nH]n2)cc1OC(F)F)C1CCCCC1 ZINC000820280695 606598156 /nfs/dbraw/zinc/59/81/56/606598156.db2.gz MPUQEAYLCUOPLB-GOSISDBHSA-N 1 0 381.427 2.889 20 0 GFADRO CC(C(=O)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)=C1CCCC1 ZINC000819856772 606616446 /nfs/dbraw/zinc/61/64/46/606616446.db2.gz LQDYPIZFANISLB-UHFFFAOYSA-N 1 0 380.496 2.792 20 0 GFADRO Cc1cccc([C@@H]([NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)C(C)(C)C)c1 ZINC000822288552 606618747 /nfs/dbraw/zinc/61/87/47/606618747.db2.gz BGBQIKJRBVIJAS-RHSMWYFYSA-N 1 0 380.500 2.790 20 0 GFADRO CC[N@H+](CCC(=O)Nc1cccc(-c2nn[nH]n2)c1)[C@H](C)c1cccc(O)c1 ZINC000821207555 606621728 /nfs/dbraw/zinc/62/17/28/606621728.db2.gz QJYKWXNHOMAXKR-CQSZACIVSA-N 1 0 380.452 2.984 20 0 GFADRO C[C@H]1C[C@H](NC(=O)c2ccccc2-c2ccccc2-c2nn[nH]n2)C[N@@H+]1C1CC1 ZINC000820655424 606624228 /nfs/dbraw/zinc/62/42/28/606624228.db2.gz AYUMFYODMOFUSR-GJZGRUSLSA-N 1 0 388.475 2.889 20 0 GFADRO C[C@@](CO)([NH2+]Cc1cccc(OCc2ccccc2-c2nn[nH]n2)c1)C1CC1 ZINC000820280269 606634957 /nfs/dbraw/zinc/63/49/57/606634957.db2.gz CGDACSJBSXWFKM-NRFANRHFSA-N 1 0 379.464 2.696 20 0 GFADRO CC(C)[C@H](CNC(=O)c1c(F)cc(-c2nn[nH]n2)cc1F)[NH+]1CCC(C)CC1 ZINC000820722874 606669575 /nfs/dbraw/zinc/66/95/75/606669575.db2.gz QXHGBTWVRZOOKE-INIZCTEOSA-N 1 0 392.454 2.631 20 0 GFADRO CC(C)Cc1ccc(C[N@@H+]2CCN(c3nccnc3-c3nn[nH]n3)C[C@H]2C)cc1 ZINC000820108543 606781272 /nfs/dbraw/zinc/78/12/72/606781272.db2.gz MOMGADJQXCJNPY-MRXNPFEDSA-N 1 0 392.511 2.566 20 0 GFADRO CC(C)[C@@H]([NH2+]C[C@H](O)c1ccc(-c2nn[nH]n2)cc1)c1ccc2c(c1)OCCO2 ZINC000820026130 606848280 /nfs/dbraw/zinc/84/82/80/606848280.db2.gz IEQXBGLPNBTRQF-FXAWDEMLSA-N 1 0 395.463 2.658 20 0 GFADRO Cc1ccccc1C1(C[NH2+]C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)CCOCC1 ZINC000822352174 606857851 /nfs/dbraw/zinc/85/78/51/606857851.db2.gz VTBSOMNFBRQJDE-HXUWFJFHSA-N 1 0 393.491 2.547 20 0 GFADRO COc1ccc(C[NH2+][C@@H]2C[C@@H](C)N(Cc3ccccc3)C2)cc1-c1nn[nH]n1 ZINC000821803134 606867643 /nfs/dbraw/zinc/86/76/43/606867643.db2.gz CDGRXVAYJADSCG-CRAIPNDOSA-N 1 0 378.480 2.628 20 0 GFADRO COc1ccc(C[NH2+]C[C@H](O)c2cc3ccccc3s2)cc1-c1nn[nH]n1 ZINC000821808448 606869530 /nfs/dbraw/zinc/86/95/30/606869530.db2.gz GWYBNJLJXDBSEG-HNNXBMFYSA-N 1 0 381.461 2.913 20 0 GFADRO COc1ccccc1CC1CC[NH+](C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000821891258 606892642 /nfs/dbraw/zinc/89/26/42/606892642.db2.gz YQTOLZWOTCKQRH-FQEVSTJZSA-N 1 0 393.491 2.863 20 0 GFADRO Cc1ccc(C)c([C@@H]2C[N@H+](C[C@@H](O)c3ccc(-c4nn[nH]n4)cc3)[C@H](C)CO2)c1 ZINC000822231907 606903681 /nfs/dbraw/zinc/90/36/81/606903681.db2.gz MCRJOGZLXJSCEE-HBGVWJBISA-N 1 0 393.491 2.979 20 0 GFADRO COc1ccc(C[C@H]2CCC[N@H+](C[C@H](O)c3ccc(-c4nn[nH]n4)cc3)C2)cc1 ZINC000821790520 606904062 /nfs/dbraw/zinc/90/40/62/606904062.db2.gz PRVIOZAKIWPXBO-UTKZUKDTSA-N 1 0 393.491 2.863 20 0 GFADRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1ccccc1-c1ccccc1-c1nn[nH]n1 ZINC000820752436 606904379 /nfs/dbraw/zinc/90/43/79/606904379.db2.gz NBXZVFBWAVUCDU-JLTOFOAXSA-N 1 0 388.475 2.746 20 0 GFADRO CC[NH+](CC)CCN(Cc1ccccc1)C[C@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821190140 606908931 /nfs/dbraw/zinc/90/89/31/606908931.db2.gz ZJPXMVIXFHECPY-NRFANRHFSA-N 1 0 394.523 2.744 20 0 GFADRO CN(c1ccccc1)C1CC[NH+](C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000821619239 606909762 /nfs/dbraw/zinc/90/97/62/606909762.db2.gz OUNSKCCFHIWTLX-HXUWFJFHSA-N 1 0 378.480 2.501 20 0 GFADRO CC(C)C[N@@H+]1CCO[C@H](CNc2ccc(C(F)(F)F)cc2-c2nn[nH]n2)C1 ZINC000820092490 606916917 /nfs/dbraw/zinc/91/69/17/606916917.db2.gz MRMCVLNOBNDPPW-CYBMUJFWSA-N 1 0 384.406 2.654 20 0 GFADRO CCc1nnc(N2CCC(C[NH+]3CCCCCC3)CC2)c(-c2nn[nH]n2)c1CC ZINC000821522667 606920657 /nfs/dbraw/zinc/92/06/57/606920657.db2.gz NEGHTOGAVBIZFL-UHFFFAOYSA-N 1 0 398.559 2.874 20 0 GFADRO CCc1nnc(N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)c(-c2nn[nH]n2)c1CC ZINC000821522568 606925288 /nfs/dbraw/zinc/92/52/88/606925288.db2.gz MHZXFJSRQMOKJC-INIZCTEOSA-N 1 0 398.559 2.730 20 0 GFADRO CC[NH+](CC)CCO[C@H]1CCN(c2ccc(C(F)(F)F)cc2-c2nn[nH]n2)C1 ZINC000821189829 606941187 /nfs/dbraw/zinc/94/11/87/606941187.db2.gz VIBOTFLNUHECSZ-AWEZNQCLSA-N 1 0 398.433 2.823 20 0 GFADRO Cc1cccc2c1CC[C@H]2[NH2+]C1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1 ZINC000822340622 607046787 /nfs/dbraw/zinc/04/67/87/607046787.db2.gz AEARQCVJDJPJKL-LJQANCHMSA-N 1 0 375.480 2.816 20 0 GFADRO C[C@@H]([NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)c1cccc(N2CCOCC2)c1 ZINC000820426663 607058937 /nfs/dbraw/zinc/05/89/37/607058937.db2.gz MDMVAMKVTBLJMU-CQSZACIVSA-N 1 0 382.443 2.693 20 0 GFADRO CN(C[C@@H]1CC[N@H+](Cc2cc(F)ccc2-c2nn[nH]n2)C1)C(=O)OC(C)(C)C ZINC000821596118 607063750 /nfs/dbraw/zinc/06/37/50/607063750.db2.gz AAQFRVZILCHWEH-ZDUSSCGKSA-N 1 0 390.463 2.695 20 0 GFADRO COc1cc2c(cc1OC)CC[NH+](Cc1cc(F)ccc1-c1nn[nH]n1)CC2 ZINC000821727079 607066045 /nfs/dbraw/zinc/06/60/45/607066045.db2.gz BDRGSNWTNIMYCO-UHFFFAOYSA-N 1 0 383.427 2.624 20 0 GFADRO CC(C)(C)OC(=O)NC[C@@](C)([NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)C1CC1 ZINC000819940379 607097653 /nfs/dbraw/zinc/09/76/53/607097653.db2.gz ZIIYVBURUCFIHU-LJQANCHMSA-N 1 0 390.463 2.789 20 0 GFADRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)Nc1ccc(-c2nn[nH]n2)cc1Cl ZINC000820709077 607199098 /nfs/dbraw/zinc/19/90/98/607199098.db2.gz CTLRVVFUHOTDGE-RYUDHWBXSA-N 1 0 377.880 2.762 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccc(-c3nn[nH]n3)cc2Cl)C[C@H]1C ZINC000821253980 607203266 /nfs/dbraw/zinc/20/32/66/607203266.db2.gz JXDBYTGQIAZLRR-YPMHNXCESA-N 1 0 377.880 2.857 20 0 GFADRO C[C@@H]1C[C@H](CCNC(=O)c2ccc(-c3nn[nH]n3)cc2)C[N@@H+]1Cc1ccccc1 ZINC000824876165 607795743 /nfs/dbraw/zinc/79/57/43/607795743.db2.gz QVBMWBOOUWKCNH-AEFFLSMTSA-N 1 0 390.491 2.897 20 0 GFADRO CC(C)C[N@H+](CCS(=O)(=O)c1cccc(-c2nn[nH]n2)c1)CC(C)(C)C ZINC000824255651 607829404 /nfs/dbraw/zinc/82/94/04/607829404.db2.gz RSCCMZFTIIJCLR-UHFFFAOYSA-N 1 0 379.530 2.645 20 0 GFADRO c1sc2ccccc2c1C[NH+]1CCN(c2cccc(-c3nn[nH]n3)n2)CC1 ZINC000826514314 607895891 /nfs/dbraw/zinc/89/58/91/607895891.db2.gz NQJGXCKDYJDCFO-UHFFFAOYSA-N 1 0 377.477 2.799 20 0 GFADRO C[NH+](C)CCN(Cc1ccc(C(F)(F)F)cc1)c1cccc(-c2nn[nH]n2)n1 ZINC000825865581 607902142 /nfs/dbraw/zinc/90/21/42/607902142.db2.gz GTFWLNUJVBJHAC-UHFFFAOYSA-N 1 0 391.401 2.849 20 0 GFADRO C[NH+]1CCC([C@@H]2CCN(c3c(-c4nn[nH]n4)cnc4c(F)cc(F)cc43)C2)CC1 ZINC000826022814 607903796 /nfs/dbraw/zinc/90/37/96/607903796.db2.gz SMJDBBZVEKAXNU-CYBMUJFWSA-N 1 0 399.449 2.861 20 0 GFADRO Cc1cccc2c1ncc(-c1nn[nH]n1)c2N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000826304312 607903870 /nfs/dbraw/zinc/90/38/70/607903870.db2.gz GPGVKAGFCAWTSV-INIZCTEOSA-N 1 0 377.496 2.891 20 0 GFADRO CC[C@H]1C[N@H+](Cc2ccccc2-c2nn[nH]n2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000825212502 607942024 /nfs/dbraw/zinc/94/20/24/607942024.db2.gz RQAWTXOJGGBOAV-WMLDXEAASA-N 1 0 386.500 2.992 20 0 GFADRO C[NH+](C)[C@@H](CNc1ccc(-c2nn[nH]n2)cc1Br)c1ccco1 ZINC000825848481 607987700 /nfs/dbraw/zinc/98/77/00/607987700.db2.gz DFPHWIOABGNGFC-ZDUSSCGKSA-N 1 0 377.246 2.937 20 0 GFADRO C[C@@H](c1ccc(F)c(Cl)c1)[N@H+](C)CCCc1[nH]nc(N)c1-c1nn[nH]n1 ZINC000824761948 608036489 /nfs/dbraw/zinc/03/64/89/608036489.db2.gz DGKANKDFPYKNQW-VIFPVBQESA-N 1 0 378.843 2.590 20 0 GFADRO O=C(CC[N@@H+]1CCc2ccsc2C1)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000826407579 608046835 /nfs/dbraw/zinc/04/68/35/608046835.db2.gz SXCFNSPKUJAIGF-UHFFFAOYSA-N 1 0 388.884 2.969 20 0 GFADRO Brc1cc(-c2nn[nH]n2)ccc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000823826548 608049883 /nfs/dbraw/zinc/04/98/83/608049883.db2.gz LCMARGMFQJKRPQ-ZDUSSCGKSA-N 1 0 377.290 2.694 20 0 GFADRO CC(C)c1ccc2c(c1)[C@H]([NH2+]C[C@H]1CNc3c(-c4nn[nH]n4)cnn3C1)CCC2 ZINC000824347452 608101475 /nfs/dbraw/zinc/10/14/75/608101475.db2.gz AYYBODAKEVAKIA-IFXJQAMLSA-N 1 0 392.511 2.896 20 0 GFADRO O=C(N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12)c1ccc(-c2nn[nH]n2)s1 ZINC000826430063 608134952 /nfs/dbraw/zinc/13/49/52/608134952.db2.gz SNUSWQVVJWPMCX-BZUAXINKSA-N 1 0 394.504 2.569 20 0 GFADRO NC(=NOCc1cccc(-c2nn[nH]n2)c1)c1cccc(C[NH+]2CCCCC2)c1 ZINC000826388489 608152845 /nfs/dbraw/zinc/15/28/45/608152845.db2.gz AYMWIWVTFXGAOG-UHFFFAOYSA-N 1 0 391.479 2.899 20 0 GFADRO CC[N@H+](CCc1cccs1)[C@@H]1CCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000825429265 608155006 /nfs/dbraw/zinc/15/50/06/608155006.db2.gz ZVHRSWOXZBSFKO-QGZVFWFLSA-N 1 0 382.493 2.598 20 0 GFADRO O=C(CC[N@@H+]1CC[C@@H](C2CC2)C1)Nc1sc2c(c1-c1nn[nH]n1)CCCC2 ZINC000826406887 608171595 /nfs/dbraw/zinc/17/15/95/608171595.db2.gz RJVKNHSFGCYEDU-CYBMUJFWSA-N 1 0 386.525 2.868 20 0 GFADRO C[NH+](C)CCN(Cc1ccc(F)cc1F)c1snc(Cl)c1-c1nn[nH]n1 ZINC000825866112 608190698 /nfs/dbraw/zinc/19/06/98/608190698.db2.gz RKQJKEIZXFSDIE-UHFFFAOYSA-N 1 0 399.858 2.823 20 0 GFADRO C[C@@H](C(=O)Nc1ccccc1-c1nn[nH]n1)[NH+]1CCC(Cc2cccnc2)CC1 ZINC000824045393 608208515 /nfs/dbraw/zinc/20/85/15/608208515.db2.gz LYRPDPJWAVEVES-HNNXBMFYSA-N 1 0 391.479 2.543 20 0 GFADRO COc1ccc([C@@H](OC)[C@H](C)[NH2+]Cc2ccc(OC)c(-c3nn[nH]n3)c2)cc1 ZINC000826188986 608251783 /nfs/dbraw/zinc/25/17/83/608251783.db2.gz KXDKVWJESKBIDZ-DJJJIMSYSA-N 1 0 383.452 2.750 20 0 GFADRO COc1cc(-c2nn[nH]n2)ccc1OCC[N@H+](Cc1ccccc1)[C@@H](C)CCO ZINC000826175395 608268719 /nfs/dbraw/zinc/26/87/19/608268719.db2.gz CRJQSCZHTRQWON-INIZCTEOSA-N 1 0 397.479 2.527 20 0 GFADRO C[NH+](C)[C@@H](CNc1nc2c(cc1-c1nn[nH]n1)CCCC2)c1ccc(F)cc1 ZINC000825851210 608276704 /nfs/dbraw/zinc/27/67/04/608276704.db2.gz UYZYAHMBRLUIGF-SFHVURJKSA-N 1 0 381.459 2.994 20 0 GFADRO C[C@H]([NH2+][C@H]1CC(=O)N(Cc2ccccc2)[C@@H]1C)c1ccc(-c2nn[nH]n2)cc1 ZINC000824540532 608279807 /nfs/dbraw/zinc/27/98/07/608279807.db2.gz ZSVRWYKUGBHIPS-KHYOSLBOSA-N 1 0 376.464 2.707 20 0 GFADRO Cc1ccc(NC(=O)C[C@H](C)[NH2+]CCOc2ccc(-c3nn[nH]n3)cc2)c(C)c1 ZINC000826290517 608281746 /nfs/dbraw/zinc/28/17/46/608281746.db2.gz OWUZFHPWIXFXJM-INIZCTEOSA-N 1 0 394.479 2.869 20 0 GFADRO Fc1ccc(CC[NH+]2CCC(NCc3cc(-c4nn[nH]n4)ccc3F)CC2)cc1 ZINC000826373802 608283767 /nfs/dbraw/zinc/28/37/67/608283767.db2.gz AFOUHQSDJXJNHW-UHFFFAOYSA-N 1 0 398.461 2.942 20 0 GFADRO CCC[C@@H](C(=O)NCc1ccc(-c2ccccc2-c2nn[nH]n2)cc1)[NH+](C)C ZINC000825225186 608327747 /nfs/dbraw/zinc/32/77/47/608327747.db2.gz NNYAZRAMPNILOC-IBGZPJMESA-N 1 0 378.480 2.880 20 0 GFADRO COc1cc(-c2nn[nH]n2)ccc1CN1CCC[N@H+](Cc2ccccc2C)CC1 ZINC000826169384 608352726 /nfs/dbraw/zinc/35/27/26/608352726.db2.gz QTLBSMSYPMKYFJ-UHFFFAOYSA-N 1 0 392.507 2.892 20 0 GFADRO COc1cc(-c2nn[nH]n2)ccc1CN1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000826169158 608361381 /nfs/dbraw/zinc/36/13/81/608361381.db2.gz JYMATPQEONGRGH-MRXNPFEDSA-N 1 0 378.480 2.582 20 0 GFADRO COc1cc(-c2nn[nH]n2)ccc1C[NH+]1CCC([C@H](O)c2ccc(F)cc2)CC1 ZINC000826168333 608361743 /nfs/dbraw/zinc/36/17/43/608361743.db2.gz JXZKGYOLZYHXPU-HXUWFJFHSA-N 1 0 397.454 2.960 20 0 GFADRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(c2nc3c(cc2-c2nn[nH]n2)CCCC3)C1 ZINC000824906954 608368816 /nfs/dbraw/zinc/36/88/16/608368816.db2.gz FZZNTRXYUBNSFI-UXLLHSPISA-N 1 0 381.528 2.982 20 0 GFADRO COc1cc(-c2nn[nH]n2)ccc1C[N@H+](CCO)[C@H]1CCCc2ccccc21 ZINC000826168792 608372005 /nfs/dbraw/zinc/37/20/05/608372005.db2.gz YQJKPZSCWLKZIS-IBGZPJMESA-N 1 0 379.464 2.747 20 0 GFADRO c1ccc(-c2cncnc2N2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)cc1 ZINC000826519315 608403490 /nfs/dbraw/zinc/40/34/90/608403490.db2.gz TYQZEVOMXBPERF-UHFFFAOYSA-N 1 0 398.474 2.646 20 0 GFADRO C[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2OC(F)F)C[C@@H]1n1ccnc1 ZINC000824954402 608452776 /nfs/dbraw/zinc/45/27/76/608452776.db2.gz JVTJNXYLTPANMQ-WFASDCNBSA-N 1 0 389.410 2.748 20 0 GFADRO CC[C@@H]([NH2+]CC(=O)Nc1oc(C)c(C)c1-c1nn[nH]n1)c1ccccc1OC ZINC000825143517 608456271 /nfs/dbraw/zinc/45/62/71/608456271.db2.gz VZGRDOPOKKZLFD-CQSZACIVSA-N 1 0 384.440 2.765 20 0 GFADRO CC[C@@H]([NH2+]Cc1cccc(C(=O)OC)c1-c1nn[nH]n1)c1ccccc1OC ZINC000825148276 608456503 /nfs/dbraw/zinc/45/65/03/608456503.db2.gz PEACZNGTTBMOAD-MRXNPFEDSA-N 1 0 381.436 2.903 20 0 GFADRO CC[C@@H]([NH2+][C@H](C)c1ccc(-c2nn[nH]n2)cc1)c1ccccc1OCC(=O)NC ZINC000825143992 608457980 /nfs/dbraw/zinc/45/79/80/608457980.db2.gz XFDYYZNFCKCCDR-RDTXWAMCSA-N 1 0 394.479 2.793 20 0 GFADRO C[C@@H]([NH2+]CCS(=O)(=O)c1ccc(Cl)cc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824599445 608459325 /nfs/dbraw/zinc/45/93/25/608459325.db2.gz OUEMGGKPPAZNRQ-GFCCVEGCSA-N 1 0 391.884 2.645 20 0 GFADRO CC(=O)c1ccccc1NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000824029096 608468641 /nfs/dbraw/zinc/46/86/41/608468641.db2.gz CTKQOHUTYQDTIT-CHWSQXEVSA-N 1 0 378.436 2.747 20 0 GFADRO CC[C@H]([NH2+]Cc1cc(-c2nn[nH]n2)ccc1OC)c1ccc2c(c1)OCCO2 ZINC000825139369 608470160 /nfs/dbraw/zinc/47/01/60/608470160.db2.gz FMFCINVILLMNLX-INIZCTEOSA-N 1 0 381.436 2.887 20 0 GFADRO C[C@H]([NH2+]CC(=O)NCc1cccc(-c2nn[nH]n2)c1)c1ccc(F)c(Cl)c1 ZINC000824562253 608471209 /nfs/dbraw/zinc/47/12/09/608471209.db2.gz DHOZNNBEFTUHPO-NSHDSACASA-N 1 0 388.834 2.626 20 0 GFADRO COc1ccc(-c2nn[nH]n2)cc1C[NH2+][C@H](C)c1ccc(N2CCCC2=O)cc1 ZINC000826183818 608475415 /nfs/dbraw/zinc/47/54/15/608475415.db2.gz AZFXSTXPDUGJDY-CQSZACIVSA-N 1 0 392.463 2.853 20 0 GFADRO C[C@H]([NH2+]Cc1cccc(-c2nn[nH]n2)c1F)c1cccc(N2CCCC2=O)c1 ZINC000824617750 608475980 /nfs/dbraw/zinc/47/59/80/608475980.db2.gz JYZWZSIIVYGRDA-ZDUSSCGKSA-N 1 0 380.427 2.983 20 0 GFADRO C[C@@H]([NH2+]CC(=O)NCCc1ccc(Cl)cc1)c1cccc(-c2nn[nH]n2)c1 ZINC000824562014 608489119 /nfs/dbraw/zinc/48/91/19/608489119.db2.gz AUXRMSODLNECSY-CYBMUJFWSA-N 1 0 384.871 2.530 20 0 GFADRO CC(=O)c1ccccc1NC(=O)[C@H](C)[NH2+][C@H](C)c1cccc(-c2nn[nH]n2)c1 ZINC000824029863 608493038 /nfs/dbraw/zinc/49/30/38/608493038.db2.gz RWUBRPXBMMGWTD-OLZOCXBDSA-N 1 0 378.436 2.747 20 0 GFADRO CC(=O)c1ccccc1NC(=O)[C@@H](C)[NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1 ZINC000824029864 608493061 /nfs/dbraw/zinc/49/30/61/608493061.db2.gz RWUBRPXBMMGWTD-QWHCGFSZSA-N 1 0 378.436 2.747 20 0 GFADRO CCOC(=O)N[C@H](C[NH2+][C@@H]1CCCc2cc(-c3nn[nH]n3)ccc21)CC(C)C ZINC000825523457 608498379 /nfs/dbraw/zinc/49/83/79/608498379.db2.gz QHUHYVVQSQMBTF-FUHWJXTLSA-N 1 0 386.500 2.995 20 0 GFADRO c1ncn(Cc2ccccc2C[NH2+][C@@H]2CCCc3cc(-c4nn[nH]n4)ccc32)n1 ZINC000826521851 608500944 /nfs/dbraw/zinc/50/09/44/608500944.db2.gz AXTFFTNOYIGELS-HXUWFJFHSA-N 1 0 386.463 2.674 20 0 GFADRO c1cc(-c2nn[nH]n2)sc1C[N@@H+]1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000826514823 608511770 /nfs/dbraw/zinc/51/17/70/608511770.db2.gz DTOCVJVOAIIGSK-CYBMUJFWSA-N 1 0 384.513 2.626 20 0 GFADRO OC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc(OCc2cccc(-c3nn[nH]n3)c2)c1 ZINC000826507658 608515464 /nfs/dbraw/zinc/51/54/64/608515464.db2.gz SWJJAQMGQFROLQ-YOFSQIOKSA-N 1 0 391.475 2.933 20 0 GFADRO O=C1[C@@H]([NH2+][C@H]2CCCc3cc(-c4nn[nH]n4)ccc32)CCN1C1CCCCC1 ZINC000826476552 608523510 /nfs/dbraw/zinc/52/35/10/608523510.db2.gz KHCLSGVMVKTHIL-OALUTQOASA-N 1 0 380.496 2.767 20 0 GFADRO Cc1ccc(C)c(OC[C@@H](O)C[NH2+]C2(c3cccc(-c4nn[nH]n4)c3)CC2)c1 ZINC000826285308 608529332 /nfs/dbraw/zinc/52/93/32/608529332.db2.gz VMUAJCZEYWJCAX-SFHVURJKSA-N 1 0 379.464 2.502 20 0 GFADRO C[C@@H]([NH2+]CCOc1ccccc1-c1nn[nH]n1)c1ccc(-n2cccn2)cc1 ZINC000824598928 608550495 /nfs/dbraw/zinc/55/04/95/608550495.db2.gz JRBSAZYJQZMEFX-OAHLLOKOSA-N 1 0 375.436 2.782 20 0 GFADRO C[C@@H]([NH2+]C[C@@H](O)COc1ccc(-c2nn[nH]n2)cc1)c1c(F)cccc1Cl ZINC000824568579 608553119 /nfs/dbraw/zinc/55/31/19/608553119.db2.gz ASOCOGUIKVZJLY-DGCLKSJQSA-N 1 0 391.834 2.750 20 0 GFADRO COCC[N@H+](Cc1cnc2ccc(-c3nn[nH]n3)cn12)[C@@H](C)c1ccccc1 ZINC000826159456 608565155 /nfs/dbraw/zinc/56/51/55/608565155.db2.gz GRXGYTGIRHOAMR-HNNXBMFYSA-N 1 0 377.452 2.724 20 0 GFADRO COCC[N@H+](Cc1c[nH]nc1-c1cccs1)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000826158765 608567121 /nfs/dbraw/zinc/56/71/21/608567121.db2.gz BLZAKJOUXNULPV-UHFFFAOYSA-N 1 0 395.492 2.967 20 0 GFADRO c1nc2ccc(-c3nn[nH]n3)cn2c1C[NH+]1CCC(c2c[nH]c3ncccc23)CC1 ZINC000826525721 608599594 /nfs/dbraw/zinc/59/95/94/608599594.db2.gz WOVQBTRCDCACOB-UHFFFAOYSA-N 1 0 399.462 2.770 20 0 GFADRO COc1ccccc1C[C@H]1CCC[N@@H+]1Cc1cnc2ccc(-c3nn[nH]n3)cn12 ZINC000826219402 608653894 /nfs/dbraw/zinc/65/38/94/608653894.db2.gz ASVQXSDCELCOAR-QGZVFWFLSA-N 1 0 389.463 2.730 20 0 GFADRO CCCCCCNC(=O)[C@@H]1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC000825271949 608656593 /nfs/dbraw/zinc/65/65/93/608656593.db2.gz RXAZYLYZWAZXBP-CQSZACIVSA-N 1 0 376.530 2.837 20 0 GFADRO C[N@H+](Cc1cc(-c2nn[nH]n2)cs1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000825953253 608659859 /nfs/dbraw/zinc/65/98/59/608659859.db2.gz BUHKMUPJSIDTLR-UHFFFAOYSA-N 1 0 382.493 2.665 20 0 GFADRO C[C@H](CN1CCOCC1)[N@H+](Cc1cc(-c2nn[nH]n2)cs1)Cc1ccccc1 ZINC000824420070 608676741 /nfs/dbraw/zinc/67/67/41/608676741.db2.gz FPXQKYFHYQPBCE-MRXNPFEDSA-N 1 0 398.536 2.651 20 0 GFADRO COc1cccc(C[NH+]2CCC(Oc3ccc(-c4nn[nH]n4)cc3)CC2)c1OC ZINC000826216324 608680529 /nfs/dbraw/zinc/68/05/29/608680529.db2.gz SQKDLYWGRKMFSX-UHFFFAOYSA-N 1 0 395.463 2.927 20 0 GFADRO COc1ccc(C[NH+]2CCC(Oc3ccc(-c4nn[nH]n4)cc3)CC2)cc1O ZINC000826194513 608681234 /nfs/dbraw/zinc/68/12/34/608681234.db2.gz NUSJUYWKBKAELU-UHFFFAOYSA-N 1 0 381.436 2.624 20 0 GFADRO c1nn2ccccc2c1C[NH+]1CCC(Oc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826525176 608682074 /nfs/dbraw/zinc/68/20/74/608682074.db2.gz ZCOCLLJDEPCAHL-UHFFFAOYSA-N 1 0 375.436 2.558 20 0 GFADRO C[N@H+](CCn1cccn1)Cc1cccc(OCc2cccc(-c3nn[nH]n3)c2)c1 ZINC000825949913 608697859 /nfs/dbraw/zinc/69/78/59/608697859.db2.gz DXPHBZDUAMKUAG-UHFFFAOYSA-N 1 0 389.463 2.774 20 0 GFADRO OCCC[N@H+](Cc1cccc(OCc2ccccc2-c2nn[nH]n2)c1)C1CC1 ZINC000826510026 608699588 /nfs/dbraw/zinc/69/95/88/608699588.db2.gz UUPQJELPTBNCIX-UHFFFAOYSA-N 1 0 379.464 2.793 20 0 GFADRO CCC[N@H+](Cc1cnc2ccc(-c3nn[nH]n3)cn12)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000825323070 608720273 /nfs/dbraw/zinc/72/02/73/608720273.db2.gz NVVDQZKPJQHGAV-KBAYOESNSA-N 1 0 381.484 2.540 20 0 GFADRO CN(C[C@@H]1CCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)s1)C(=O)OC(C)(C)C ZINC000825908754 608747804 /nfs/dbraw/zinc/74/78/04/608747804.db2.gz LQBVWANMPLKMBV-LBPRGKRZSA-N 1 0 378.502 2.760 20 0 GFADRO C[N@H+](Cc1cc(-c2nn[nH]n2)cs1)CC(C)(C)CNC(=O)OC(C)(C)C ZINC000825954140 608751257 /nfs/dbraw/zinc/75/12/57/608751257.db2.gz XGUGBFKNHCFYOD-UHFFFAOYSA-N 1 0 380.518 2.911 20 0 GFADRO COc1ccc(C[NH2+]Cc2cn(C)nc2-c2cccs2)cc1-c1nn[nH]n1 ZINC000826203137 608760658 /nfs/dbraw/zinc/76/06/58/608760658.db2.gz ZSXPIMMKXSOEDJ-UHFFFAOYSA-N 1 0 381.465 2.627 20 0 GFADRO C[C@H]([NH2+][C@@H](C)c1ccc(-c2nn[nH]n2)c(F)c1)c1ccc2c(c1)CC(=O)N2C ZINC000824530935 609139235 /nfs/dbraw/zinc/13/92/35/609139235.db2.gz NHNAXFHEYCJOTF-RYUDHWBXSA-N 1 0 380.427 2.937 20 0 GFADRO Cc1cc(N2CCC[C@@H]([NH2+][C@@H](C)c3ccc(-c4nn[nH]n4)c(F)c3)C2)nc(C)n1 ZINC000826269523 609232879 /nfs/dbraw/zinc/23/28/79/609232879.db2.gz ORGWPOWEPHISPF-XJKSGUPXSA-N 1 0 396.474 2.732 20 0 GFADRO C[C@@H](Nc1ccc(N2CCC([NH+](C)C)CC2)cn1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824657935 609245200 /nfs/dbraw/zinc/24/52/00/609245200.db2.gz SSOFJJJYWPZJKD-OAHLLOKOSA-N 1 0 392.511 2.965 20 0 GFADRO c1cc(-c2nn[nH]n2)cc(C2([NH2+]C3CCN(Cc4ccncc4)CC3)CC2)c1 ZINC000826513330 609252271 /nfs/dbraw/zinc/25/22/71/609252271.db2.gz IPKTVDQPTSQSTE-UHFFFAOYSA-N 1 0 375.480 2.505 20 0 GFADRO C[C@H](NC(=O)N(C)Cc1ccc(-c2nn[nH]n2)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000824488673 609317956 /nfs/dbraw/zinc/31/79/56/609317956.db2.gz HDIHOFVRLIELEK-MAUKXSAKSA-N 1 0 397.527 2.661 20 0 GFADRO COc1cccc([C@H]2[C@@H](Nc3cccc(-c4nn[nH]n4)n3)CC[N@@H+]2C2CC2)c1 ZINC000826215356 609322940 /nfs/dbraw/zinc/32/29/40/609322940.db2.gz MXYYZBRHSFTVMT-LPHOPBHVSA-N 1 0 377.452 2.660 20 0 GFADRO C[C@H]([NH2+][C@@H](CN1CCOCC1)c1ccccc1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824531893 609324046 /nfs/dbraw/zinc/32/40/46/609324046.db2.gz RFWXEVRNEWDBET-YWZLYKJASA-N 1 0 396.470 2.730 20 0 GFADRO Cn1cc(C[NH2+]CCOc2ccccc2F)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826361939 609335842 /nfs/dbraw/zinc/33/58/42/609335842.db2.gz WTHXZLKDDICQQZ-UHFFFAOYSA-N 1 0 393.426 2.575 20 0 GFADRO C[C@@H]([NH2+][C@@H](CNC(=O)OC(C)(C)C)C1CC1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824532530 609336847 /nfs/dbraw/zinc/33/68/47/609336847.db2.gz VQIZTRMSCACURL-BZNIZROVSA-N 1 0 390.463 2.960 20 0 GFADRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cn(C)nc2-c2ccc(-c3nn[nH]n3)cc2)C12CCC2 ZINC000825583201 609339434 /nfs/dbraw/zinc/33/94/34/609339434.db2.gz RYFSBJDLJRLQPH-QZTJIDSGSA-N 1 0 393.495 2.705 20 0 GFADRO CC(C)[C@H]1OCCC[C@H]1C[NH2+]Cc1cn(C)nc1-c1ccc(-c2nn[nH]n2)cc1 ZINC000824229499 609340811 /nfs/dbraw/zinc/34/08/11/609340811.db2.gz RNUJLGYRVQBCQL-FXAWDEMLSA-N 1 0 395.511 2.808 20 0 GFADRO C[C@H](NC(=O)Nc1ccc(F)c(-c2nn[nH]n2)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000824506441 609352885 /nfs/dbraw/zinc/35/28/85/609352885.db2.gz ONWSRGKRMZCOHV-QWHCGFSZSA-N 1 0 387.463 2.780 20 0 GFADRO Brc1cc(-c2nn[nH]n2)ccc1CN1CC[C@H](C[NH+]2CCCC2)C1 ZINC000823821545 609360645 /nfs/dbraw/zinc/36/06/45/609360645.db2.gz WOBWCAQBXIUYKM-CYBMUJFWSA-N 1 0 391.317 2.547 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)Cc2ccc(-c3nn[nH]n3)cc2Br)C[C@@H]1C ZINC000825454031 609364742 /nfs/dbraw/zinc/36/47/42/609364742.db2.gz YDELTTSFFOCHCU-WFASDCNBSA-N 1 0 393.333 2.934 20 0 GFADRO C[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1Br)C[C@H]1CCCC[C@H]1O ZINC000825961552 609376271 /nfs/dbraw/zinc/37/62/71/609376271.db2.gz IAMTTWMNHXIKSJ-UKRRQHHQSA-N 1 0 380.290 2.612 20 0 GFADRO OC[C@@H]1CCC[N@@H+]1Cc1ccccc1CNc1cccc(F)c1-c1nn[nH]n1 ZINC000826509513 609386549 /nfs/dbraw/zinc/38/65/49/609386549.db2.gz XTQKLNFHKOBPEX-INIZCTEOSA-N 1 0 382.443 2.575 20 0 GFADRO O=C1[C@@H]([NH2+]Cc2cccc(Cl)c2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476665 609411392 /nfs/dbraw/zinc/41/13/92/609411392.db2.gz MHMCXWZQOBIUKP-KRWDZBQOSA-N 1 0 382.855 2.805 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O)c1ccccc1F ZINC000824546403 609412414 /nfs/dbraw/zinc/41/24/14/609412414.db2.gz ISHIUXUGKOXGAG-SCLBCKFNSA-N 1 0 380.427 2.852 20 0 GFADRO Cc1ccc(C[NH2+][C@@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)c(C)c1 ZINC000826288476 609413415 /nfs/dbraw/zinc/41/34/15/609413415.db2.gz IPUSTICFXMYPGL-LJQANCHMSA-N 1 0 376.464 2.769 20 0 GFADRO O=C1[C@@H]([NH2+][C@H]2CCc3c2cccc3F)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826477106 609415605 /nfs/dbraw/zinc/41/56/05/609415605.db2.gz VUUUGRUNSNUOKL-OALUTQOASA-N 1 0 392.438 2.778 20 0 GFADRO Cc1nccn1-c1ccc([C@@H](C)[NH2+]C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000826330796 609423745 /nfs/dbraw/zinc/42/37/45/609423745.db2.gz IOTWLBIEFCLELH-VLIAUNLRSA-N 1 0 389.463 2.745 20 0 GFADRO C[C@@H]1CC[C@]2(CC[N@@H+]([C@@H]3CCCN(c4ccc(-c5nn[nH]n5)cc4)C3=O)C2)C1 ZINC000824919185 609433338 /nfs/dbraw/zinc/43/33/38/609433338.db2.gz SPPJIVQKYZVOTB-FPDPHYFHSA-N 1 0 380.496 2.874 20 0 GFADRO C[C@@H](NC(=O)c1cccc(-c2nn[nH]n2)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000824522717 609456411 /nfs/dbraw/zinc/45/64/11/609456411.db2.gz UWDVLEGZKRRZNZ-BEFAXECRSA-N 1 0 376.464 2.507 20 0 GFADRO CC(C)[N@H+](C)Cc1ccccc1CNc1nc2ccccn2c1-c1nn[nH]n1 ZINC000824288231 609461389 /nfs/dbraw/zinc/46/13/89/609461389.db2.gz AQYMBHCSLNIEOP-UHFFFAOYSA-N 1 0 376.468 2.967 20 0 GFADRO COc1ccc(-c2nn[nH]n2)cc1NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000826186712 609483914 /nfs/dbraw/zinc/48/39/14/609483914.db2.gz HSUAXKUJKNCNQR-UHFFFAOYSA-N 1 0 394.479 2.962 20 0 GFADRO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)Nc1ccc(-c2nn[nH]n2)c(C(F)(F)F)c1 ZINC000824226253 609494218 /nfs/dbraw/zinc/49/42/18/609494218.db2.gz WTJGZXKXFKWWFS-AWEZNQCLSA-N 1 0 397.405 2.689 20 0 GFADRO Cc1c(Cl)cnc(N(CC[NH+](C)C)Cc2ccc(F)cc2)c1-c1nn[nH]n1 ZINC000826237126 609574622 /nfs/dbraw/zinc/57/46/22/609574622.db2.gz OTIVCZQJKMOOIF-UHFFFAOYSA-N 1 0 389.866 2.931 20 0 GFADRO NC(=O)NC(=O)OCCC[N@@H+]1CCC[C@@H]1Cc1ccccc1Br ZINC000817276627 660188598 /nfs/dbraw/zinc/18/85/98/660188598.db2.gz KYFAOSMBQSWLPR-CYBMUJFWSA-N 1 0 384.274 2.651 20 0 GFADRO C[C@@H]1C[C@H](C)[N@H+](CCCCS(C)(=O)=O)C[C@H]1CNC(=O)OC(C)(C)C ZINC000817294585 660189284 /nfs/dbraw/zinc/18/92/84/660189284.db2.gz WWODMGKDQOETLW-OWCLPIDISA-N 1 0 376.563 2.682 20 0 GFADRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)c1cnn(-c2ccccc2)c1Br ZINC000817490263 660198415 /nfs/dbraw/zinc/19/84/15/660198415.db2.gz BDOLEIGRIANSIY-CQSZACIVSA-N 1 0 377.286 2.801 20 0 GFADRO [NH3+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)c1cn(-c2ccccc2Br)nn1 ZINC000818473759 660226898 /nfs/dbraw/zinc/22/68/98/660226898.db2.gz ZECUWSDFBHEOFH-YHWZYXNKSA-N 1 0 390.285 2.514 20 0 GFADRO CCN(CC)S(=O)(=O)c1ccc(C[NH2+]C[C@@H](O)c2ccc(C)cc2)s1 ZINC000818945478 660236362 /nfs/dbraw/zinc/23/63/62/660236362.db2.gz HLOBZVUJIKRVSE-QGZVFWFLSA-N 1 0 382.551 2.910 20 0 GFADRO CN(C)S(=O)(=O)c1ccccc1C[NH2+]C[C@@H](O)c1ccc(F)cc1Cl ZINC000818945673 660236376 /nfs/dbraw/zinc/23/63/76/660236376.db2.gz NUAPJLAFEWJWAU-MRXNPFEDSA-N 1 0 386.876 2.553 20 0 GFADRO COCC(=O)Nc1cccc(C[NH2+]C[C@@H](O)c2ccc(Br)cc2)c1 ZINC000818951894 660237578 /nfs/dbraw/zinc/23/75/78/660237578.db2.gz AKXPHISFNIWPFL-QGZVFWFLSA-N 1 0 393.281 2.857 20 0 GFADRO COCCOc1ccc(C[NH2+]C[C@H](O)c2ccccc2Br)cn1 ZINC000818960264 660238325 /nfs/dbraw/zinc/23/83/25/660238325.db2.gz GBMVFEMAWNXWHA-INIZCTEOSA-N 1 0 381.270 2.693 20 0 GFADRO CS(=O)(=O)Cc1cccc(C[NH2+]C[C@H](O)c2cccc(Br)c2)c1 ZINC000818989672 660241888 /nfs/dbraw/zinc/24/18/88/660241888.db2.gz BTVSIGRJWAUVCF-KRWDZBQOSA-N 1 0 398.322 2.817 20 0 GFADRO CN(C)C(=O)[C@@H]1CCC[C@@H]([NH2+]C[C@H](O)c2ccc(F)c(Br)c2)C1 ZINC000819075099 660245601 /nfs/dbraw/zinc/24/56/01/660245601.db2.gz APSUBWMYUBWEBW-IOASZLSFSA-N 1 0 387.293 2.858 20 0 GFADRO O=C(C[NH2+]C[C@@H](O)c1ccccc1Br)N1CCc2ccccc2C1 ZINC000819002369 660242866 /nfs/dbraw/zinc/24/28/66/660242866.db2.gz KIIVNKCHPDKVJO-GOSISDBHSA-N 1 0 389.293 2.657 20 0 GFADRO CS(=O)(=O)c1ccc(OCC[NH2+]C[C@@H](O)c2ccc(Cl)c(F)c2)cc1 ZINC000819026719 660243900 /nfs/dbraw/zinc/24/39/00/660243900.db2.gz NMNQOGMUYWWLNP-QGZVFWFLSA-N 1 0 387.860 2.585 20 0 GFADRO C[C@](O)(C[NH2+]CCCN1CCCCC1=O)c1ccc(Br)cc1F ZINC000819028845 660244100 /nfs/dbraw/zinc/24/41/00/660244100.db2.gz LWWOXYINCZWZTI-KRWDZBQOSA-N 1 0 387.293 2.788 20 0 GFADRO O=C1[C@@H]([NH2+]C[C@@H](O)c2ccccc2Br)CCN1c1ccccc1 ZINC000819046257 660244355 /nfs/dbraw/zinc/24/43/55/660244355.db2.gz OSPXQPIJBLVSQI-DLBZAZTESA-N 1 0 375.266 2.878 20 0 GFADRO O[C@H](C[NH2+]C1CCN(C[C@@H]2CCCO2)CC1)c1ccccc1Br ZINC000819063009 660245055 /nfs/dbraw/zinc/24/50/55/660245055.db2.gz VMXXXJUQZOQAEV-MAUKXSAKSA-N 1 0 383.330 2.716 20 0 GFADRO O[C@@H](C[NH2+]C1CCN(C[C@@H]2CCCO2)CC1)c1ccccc1Br ZINC000819063011 660245215 /nfs/dbraw/zinc/24/52/15/660245215.db2.gz VMXXXJUQZOQAEV-YJBOKZPZSA-N 1 0 383.330 2.716 20 0 GFADRO C[C@H](C[NH2+]C[C@H](O)COc1ccc(Br)cc1)CC1(C)OCCO1 ZINC000819095481 660246386 /nfs/dbraw/zinc/24/63/86/660246386.db2.gz GKJFHJGTNXRHAY-ZFWWWQNUSA-N 1 0 388.302 2.568 20 0 GFADRO CO[C@@H](C[NH2+]C[C@@H](O)c1ccc(S(C)(=O)=O)cc1)c1cccc(Cl)c1 ZINC000819121615 660247226 /nfs/dbraw/zinc/24/72/26/660247226.db2.gz HNWWAQRAVOSAOR-MSOLQXFVSA-N 1 0 383.897 2.754 20 0 GFADRO CCc1n[nH]c(=O)c(C[NH2+]C[C@@H](O)c2ccc(Br)cc2)c1CC ZINC000819163687 660248374 /nfs/dbraw/zinc/24/83/74/660248374.db2.gz SEILIDBCKQJOIG-MRXNPFEDSA-N 1 0 380.286 2.893 20 0 GFADRO O=C1[C@@H]([NH2+]C[C@H](O)c2ccccc2Br)CCCN1CC(F)(F)F ZINC000819182297 660249292 /nfs/dbraw/zinc/24/92/92/660249292.db2.gz LNPJOWFPEXHGLD-STQMWFEESA-N 1 0 395.219 2.625 20 0 GFADRO CS(=O)(=O)c1ccc(C[NH2+]C[C@@H](O)c2ccc(F)c(F)c2)cc1Cl ZINC000819263978 660252705 /nfs/dbraw/zinc/25/27/05/660252705.db2.gz HTUAJYDTZWAIQQ-OAHLLOKOSA-N 1 0 375.824 2.845 20 0 GFADRO O[C@@H](C[NH2+]CCOc1ccc(I)cc1)c1ccccc1 ZINC000819290925 660253790 /nfs/dbraw/zinc/25/37/90/660253790.db2.gz JILGQHDDDNAIMZ-INIZCTEOSA-N 1 0 383.229 2.993 20 0 GFADRO C[S@@](=O)C1(C[NH2+]C[C@@](C)(O)c2ccc(Br)cc2Cl)CC1 ZINC000819286792 660253811 /nfs/dbraw/zinc/25/38/11/660253811.db2.gz JSBDESSYFZOYGM-ZUOKHONESA-N 1 0 380.735 2.811 20 0 GFADRO CN(C[C@H](O)C[NH2+]CCOc1ccc(Cl)c(F)c1)C(=O)OC(C)(C)C ZINC000819346353 660255998 /nfs/dbraw/zinc/25/59/98/660255998.db2.gz YDSMQKPXSKBCPR-GFCCVEGCSA-N 1 0 376.856 2.675 20 0 GFADRO CCn1ncc(C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1Br ZINC000820107109 660281391 /nfs/dbraw/zinc/28/13/91/660281391.db2.gz PCRAODCRRYYATO-ZSHCYNCHSA-N 1 0 389.297 2.526 20 0 GFADRO C[C@@H](C(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1)c1ccc(I)cc1 ZINC000820341019 660289782 /nfs/dbraw/zinc/28/97/82/660289782.db2.gz ALJJZFBHIQKKAG-CXAGYDPISA-N 1 0 398.288 2.949 20 0 GFADRO C[C@@H](C[NH2+][C@@H](C)c1ccc(S(=O)(=O)CC(N)=O)cc1)Cc1cccs1 ZINC000820812460 660307365 /nfs/dbraw/zinc/30/73/65/660307365.db2.gz LVKOXVYEBYYWHN-KGLIPLIRSA-N 1 0 380.535 2.537 20 0 GFADRO C[C@@H]1CCC[N@H+](CCNS(=O)(=O)c2cnc(Cl)c(Br)c2)C1 ZINC000820785853 660305848 /nfs/dbraw/zinc/30/58/48/660305848.db2.gz LYISQFVQMTUOFH-SNVBAGLBSA-N 1 0 396.738 2.508 20 0 GFADRO Cn1c(C(=O)N2CCC[C@]3(CC[N@H+](C)C3)C2)cc2cc(Br)cnc21 ZINC000821025083 660313520 /nfs/dbraw/zinc/31/35/20/660313520.db2.gz AOFTVJQEEFVHGO-GOSISDBHSA-N 1 0 391.313 2.894 20 0 GFADRO Cn1cc(Br)c(CNC(=O)c2ccc(C[NH+]3CCCCC3)o2)n1 ZINC000821422258 660325615 /nfs/dbraw/zinc/32/56/15/660325615.db2.gz BPHYHIVHGCYTDV-UHFFFAOYSA-N 1 0 381.274 2.692 20 0 GFADRO CCS[C@H]1CC[C@H]([N@H+](C)CCC(=O)Nc2sccc2-c2nn[nH]n2)C1 ZINC000821449272 660326441 /nfs/dbraw/zinc/32/64/41/660326441.db2.gz RKTHOWFBNMUVCF-RYUDHWBXSA-N 1 0 380.543 2.863 20 0 GFADRO C[N@H+](CCCCNC(=O)c1cc(Br)c2nccnc2c1)C1CC1 ZINC000822271908 660342391 /nfs/dbraw/zinc/34/23/91/660342391.db2.gz DMWUBCNXCKGPKM-UHFFFAOYSA-N 1 0 377.286 2.997 20 0 GFADRO C[NH+]1CCC(OCC(=O)NCc2cccc(Br)c2Cl)CC1 ZINC000822619614 660350039 /nfs/dbraw/zinc/35/00/39/660350039.db2.gz MALZKPSQYYPGHM-UHFFFAOYSA-N 1 0 375.694 2.830 20 0 GFADRO C[NH+]1CCC(OCC(=O)NCc2cc(Cl)cc(Br)c2)CC1 ZINC000822676170 660351616 /nfs/dbraw/zinc/35/16/16/660351616.db2.gz OFZBCKJIYLQLQJ-UHFFFAOYSA-N 1 0 375.694 2.830 20 0 GFADRO C[NH+](C)CCc1ccccc1NC(=O)N1CCn2ncc(Br)c2C1 ZINC000822839858 660355633 /nfs/dbraw/zinc/35/56/33/660355633.db2.gz ZXSJZTTWMVBHFN-UHFFFAOYSA-N 1 0 392.301 2.797 20 0 GFADRO CCC[N@@H+]1CC[C@H](NC(=O)N(C)C[C@H](O)c2cccc(Br)c2)C1 ZINC000823045620 660360434 /nfs/dbraw/zinc/36/04/34/660360434.db2.gz YSOMTPHOWDPWIR-HOTGVXAUSA-N 1 0 384.318 2.608 20 0 GFADRO Ic1cnc2ccc(-c3noc([C@H]4CCCC[NH2+]4)n3)cn12 ZINC000823116027 660362356 /nfs/dbraw/zinc/36/23/56/660362356.db2.gz PCZDIUZWLTUHTJ-SNVBAGLBSA-N 1 0 395.204 2.804 20 0 GFADRO Brc1ccc(SCCCc2nc(N3CC[NH2+]CC3)no2)cc1 ZINC000823314978 660368260 /nfs/dbraw/zinc/36/82/60/660368260.db2.gz IKIDTTDWNQTGQP-UHFFFAOYSA-N 1 0 383.315 2.967 20 0 GFADRO C[N@@H+]1C[C@@H]2CCCN(C(=O)c3cc(Br)c4nccnc4c3)[C@@H]2C1 ZINC000823276740 660367197 /nfs/dbraw/zinc/36/71/97/660367197.db2.gz WUBDVIMNNKXRKS-XHDPSFHLSA-N 1 0 375.270 2.559 20 0 GFADRO C[C@H]1C[C@@H](C[N@H+](C)CC(C)(C)S(C)(=O)=O)CCN1C(=O)OC(C)(C)C ZINC000823478022 660373291 /nfs/dbraw/zinc/37/32/91/660373291.db2.gz ZBDMVAJMMFQRPV-GJZGRUSLSA-N 1 0 376.563 2.777 20 0 GFADRO CC(C)[C@H](CNC(=O)OC(C)(C)C)C[NH+]1CCC(CS(C)(=O)=O)CC1 ZINC000824426902 660391706 /nfs/dbraw/zinc/39/17/06/660391706.db2.gz FQWWIVMJMWBOFS-MRXNPFEDSA-N 1 0 376.563 2.540 20 0 GFADRO CC(C)C[NH+]1CCC(NC(=O)c2csc(I)n2)CC1 ZINC000824241228 660387890 /nfs/dbraw/zinc/38/78/90/660387890.db2.gz VVGOJBAQXRQEKR-UHFFFAOYSA-N 1 0 393.294 2.598 20 0 GFADRO CC(C)[C@H](CNC(=O)OC(C)(C)C)C[N@@H+]1CCCC[C@@H](S(C)(=O)=O)C1 ZINC000824297115 660389338 /nfs/dbraw/zinc/38/93/38/660389338.db2.gz PWFRTBJACPBYEO-HZPDHXFCSA-N 1 0 376.563 2.682 20 0 GFADRO O[C@H]1c2ccccc2OC[C@H]1[NH2+]Cc1ccc(I)cc1 ZINC000824410347 660391462 /nfs/dbraw/zinc/39/14/62/660391462.db2.gz ZOLHSORXGMVKII-ZBFHGGJFSA-N 1 0 381.213 2.875 20 0 GFADRO Cc1cc(C(=O)NCC2CC[NH+](C3CCOCC3)CC2)cnc1Br ZINC000824691836 660399411 /nfs/dbraw/zinc/39/94/11/660399411.db2.gz SYAHGUAVCRIQMN-UHFFFAOYSA-N 1 0 396.329 2.773 20 0 GFADRO COc1cc(C[NH2+]CC[C@@]2(C)CC2(Cl)Cl)cc(OC)c1OCC(N)=O ZINC000824964413 660406314 /nfs/dbraw/zinc/40/63/14/660406314.db2.gz WCTVJGLQPDHXSV-INIZCTEOSA-N 1 0 391.295 2.632 20 0 GFADRO Cc1cc(C[NH2+]CCS(=O)(=O)C2CCOCC2)cc(C)c1OC(F)F ZINC000824896883 660404419 /nfs/dbraw/zinc/40/44/19/660404419.db2.gz GKJLRTZJNOJUNO-UHFFFAOYSA-N 1 0 377.453 2.588 20 0 GFADRO C[C@H](Cc1ccccc1C(F)(F)F)[NH2+]CCS(=O)(=O)C1CCOCC1 ZINC000824904282 660404698 /nfs/dbraw/zinc/40/46/98/660404698.db2.gz XANWEKYJIRCVEY-CYBMUJFWSA-N 1 0 379.444 2.820 20 0 GFADRO C[C@H](Cc1ccc(Br)cc1)[NH2+]CCS(=O)(=O)C1CCOCC1 ZINC000824903444 660404719 /nfs/dbraw/zinc/40/47/19/660404719.db2.gz GZAGVTFPJLFENL-CYBMUJFWSA-N 1 0 390.343 2.564 20 0 GFADRO COC(=O)COc1ccc(C[NH2+]C[C@H](O)c2ccccc2Br)cc1 ZINC000825342803 660421971 /nfs/dbraw/zinc/42/19/71/660421971.db2.gz HAUIFTZXJAJQOI-KRWDZBQOSA-N 1 0 394.265 2.824 20 0 GFADRO CC(C)[N@H+](C)Cc1cccc(CNC(=O)c2cc(Br)n(C)n2)c1 ZINC000825822268 660442996 /nfs/dbraw/zinc/44/29/96/660442996.db2.gz GGUBFKTXECPYBY-UHFFFAOYSA-N 1 0 379.302 2.953 20 0 GFADRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)c2cc(Br)n(C)n2)C1 ZINC000825831297 660443322 /nfs/dbraw/zinc/44/33/22/660443322.db2.gz VKHFWGXUKJBUQU-UONOGXRCSA-N 1 0 383.334 2.909 20 0 GFADRO C[N@@H+]1CCCC[C@@H](CNC(=O)[C@](C)(O)c2ccc(F)c(Br)c2)C1 ZINC000827193540 660483140 /nfs/dbraw/zinc/48/31/40/660483140.db2.gz XPEMDJCHOHMUFN-YVEFUNNKSA-N 1 0 387.293 2.644 20 0 GFADRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@]1(C)CC1(Br)Br ZINC000827210640 660484527 /nfs/dbraw/zinc/48/45/27/660484527.db2.gz PVAYVEKJIHSZTJ-ZYHUDNBSSA-N 1 0 382.140 2.873 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCOc4ccc(Br)cc43)CC[C@@H]21 ZINC000827231897 660485421 /nfs/dbraw/zinc/48/54/21/660485421.db2.gz JHZWCJPFAIVQAQ-XPKDYRNWSA-N 1 0 379.298 2.868 20 0 GFADRO CC(C)[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000827253478 660486267 /nfs/dbraw/zinc/48/62/67/660486267.db2.gz HSZKXECCFMFCAE-XJKCOSOUSA-N 1 0 383.945 2.709 20 0 GFADRO Cc1nc2ccc(Br)cn2c1C(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000827267800 660486897 /nfs/dbraw/zinc/48/68/97/660486897.db2.gz OQBWLFUCUNOETO-GXTWGEPZSA-N 1 0 377.286 2.571 20 0 GFADRO CN1CC[NH+](C2CCN(C(=O)CCc3ccccc3Br)CC2)CC1 ZINC000827463014 660497590 /nfs/dbraw/zinc/49/75/90/660497590.db2.gz WFOFMQITHBOKFM-UHFFFAOYSA-N 1 0 394.357 2.620 20 0 GFADRO O=C(Cc1ccc(Br)cc1F)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000827494289 660499427 /nfs/dbraw/zinc/49/94/27/660499427.db2.gz IQFJNNBTYCKJCY-INIZCTEOSA-N 1 0 399.304 2.890 20 0 GFADRO C[NH+](C)CCN(C(=O)c1csc(I)n1)C1CCCC1 ZINC000827488025 660499575 /nfs/dbraw/zinc/49/95/75/660499575.db2.gz CWQCCHOLTVNDCM-UHFFFAOYSA-N 1 0 393.294 2.694 20 0 GFADRO C[NH+]1C[C@@]2(C)CN(C(=O)c3nc(Br)c4ccccn43)C[C@]2(C)C1 ZINC000827598514 660503973 /nfs/dbraw/zinc/50/39/73/660503973.db2.gz RQPNYSCATZBCOE-IRXDYDNUSA-N 1 0 377.286 2.511 20 0 GFADRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)c1csc(I)n1 ZINC000827650844 660507386 /nfs/dbraw/zinc/50/73/86/660507386.db2.gz WCASJCGMTXMMRX-SNVBAGLBSA-N 1 0 393.294 2.742 20 0 GFADRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)[C@@]1(C)CC1(Br)Br ZINC000827898659 660522106 /nfs/dbraw/zinc/52/21/06/660522106.db2.gz RYJICIKREWSKPP-CMPLNLGQSA-N 1 0 382.140 2.683 20 0 GFADRO C[NH+](C)CC1(O)CCN(C(=O)C/C=C\c2ccc(Br)cc2)CC1 ZINC000828196848 660539070 /nfs/dbraw/zinc/53/90/70/660539070.db2.gz ZQJREHKVHOAHAN-ARJAWSKDSA-N 1 0 381.314 2.768 20 0 GFADRO Cc1ccc(CC(=O)N(C)CC[NH+]2CC3(C2)CCOCC3)c(Br)c1 ZINC000829228536 660585895 /nfs/dbraw/zinc/58/58/95/660585895.db2.gz QDKVIPPRWGCDPW-UHFFFAOYSA-N 1 0 395.341 2.871 20 0 GFADRO CN(CC[NH+]1CC2(C1)CCOCC2)C(=O)Cc1cc(Br)ccc1F ZINC000829257780 660587089 /nfs/dbraw/zinc/58/70/89/660587089.db2.gz URZWDPUEVLAEPI-UHFFFAOYSA-N 1 0 399.304 2.702 20 0 GFADRO C[N@H+](C[C@]1(O)CCc2ccccc21)[C@H](C(N)=O)c1ccc(Br)cc1 ZINC000829365595 660590265 /nfs/dbraw/zinc/59/02/65/660590265.db2.gz IWSCJUSEKJLVRO-PKOBYXMFSA-N 1 0 389.293 2.741 20 0 GFADRO C[C@]1(CN2C(=O)N[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2=O)CC1(Cl)Cl ZINC000829449025 660592832 /nfs/dbraw/zinc/59/28/32/660592832.db2.gz JGLHVDIFMQCEDR-IAGOWNOFSA-N 1 0 382.291 2.767 20 0 GFADRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)c2cc(Br)cc3[nH]c(=O)[nH]c32)C1 ZINC000829703339 660608478 /nfs/dbraw/zinc/60/84/78/660608478.db2.gz DPMYDZGXKKDFDB-MNOVXSKESA-N 1 0 381.274 2.634 20 0 GFADRO [NH3+]C[C@H]1CCCN(C(=O)c2c(F)ccc(I)c2Cl)C1 ZINC000870934140 662708889 /nfs/dbraw/zinc/70/88/89/662708889.db2.gz GQGVPHUMISUXEZ-MRVPVSSYSA-N 1 0 396.631 2.895 20 0 GFADRO Cc1ccc(Br)c(C(=O)N2CCN(c3cc[nH+]cc3)C[C@@H]2C)n1 ZINC000829792241 660614562 /nfs/dbraw/zinc/61/45/62/660614562.db2.gz UHCRKNOXUDCKLG-ZDUSSCGKSA-N 1 0 375.270 2.898 20 0 GFADRO O=C1OCCN1C[C@H]1CC[N@@H+](C[C@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000830096004 660634571 /nfs/dbraw/zinc/63/45/71/660634571.db2.gz WQPWZBAVHNMZSB-JSGCOSHPSA-N 1 0 389.279 2.507 20 0 GFADRO O=C1OCCN1C[C@@H]1CC[N@@H+](Cc2nc3cc(Br)ccc3o2)C1 ZINC000830130338 660637243 /nfs/dbraw/zinc/63/72/43/660637243.db2.gz UOIVZOVCIPNFAK-LLVKDONJSA-N 1 0 380.242 2.864 20 0 GFADRO Brc1nc(Br)n(C[C@@H]2CC[NH2+]C2)c1Br ZINC000830391426 660651913 /nfs/dbraw/zinc/65/19/13/660651913.db2.gz DPEPPKYQQBXGMF-RXMQYKEDSA-N 1 0 387.901 2.780 20 0 GFADRO Ic1cccc(C[C@H]2CC[N@H+](CCC3OCCO3)C2)c1 ZINC000830514049 660660661 /nfs/dbraw/zinc/66/06/61/660660661.db2.gz BKGLMVFGPDJESC-CQSZACIVSA-N 1 0 387.261 2.919 20 0 GFADRO C[C@H]1C[C@@H](N(C)S(=O)(=O)c2c[nH]nc2Cl)CC[N@@H+]1Cc1ccccc1 ZINC000830589869 660666193 /nfs/dbraw/zinc/66/61/93/660666193.db2.gz SBBBXBXVYDWZOT-ZFWWWQNUSA-N 1 0 382.917 2.737 20 0 GFADRO O=C(NC[C@@H]1CCC[C@@H](C(F)(F)F)O1)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000830693749 660674191 /nfs/dbraw/zinc/67/41/91/660674191.db2.gz LBJCIOWWDXAABK-ILXRZTDVSA-N 1 0 380.476 2.820 20 0 GFADRO CC[N@H+](CCC1CCN(S(=O)(=O)c2c[nH]nc2Cl)CC1)CC(C)C ZINC000831028582 660691477 /nfs/dbraw/zinc/69/14/77/660691477.db2.gz QFJWDDYIFDHREO-UHFFFAOYSA-N 1 0 376.954 2.832 20 0 GFADRO O=C(N[C@@H]1C[NH2+]CCC1(F)F)N1CCO[C@H](c2c(F)cccc2Cl)C1 ZINC000831196421 660703309 /nfs/dbraw/zinc/70/33/09/660703309.db2.gz BXZQWYRSFCOIQV-QWHCGFSZSA-N 1 0 377.794 2.559 20 0 GFADRO Cn1nc(C(=O)NCC[NH+]2CCC3(CCCCC3)CC2)cc1Br ZINC000831243654 660705689 /nfs/dbraw/zinc/70/56/89/660705689.db2.gz SVWDQEVLWGPUAK-UHFFFAOYSA-N 1 0 383.334 2.959 20 0 GFADRO O=C(N1C[C@@H]2C[N@H+](C[C@H](O)c3ccccc3Cl)CC[C@@H]2C1)C(F)(F)F ZINC000831576440 660713315 /nfs/dbraw/zinc/71/33/15/660713315.db2.gz GTQCRJAGJYJVKI-XUJVJEKNSA-N 1 0 376.806 2.716 20 0 GFADRO CCO[C@H](CNC(=O)Cc1c[nH]c2ccc(Br)cc12)C[NH+](C)C ZINC000831707882 660720982 /nfs/dbraw/zinc/72/09/82/660720982.db2.gz OAMIJBXNJGQPHM-CQSZACIVSA-N 1 0 382.302 2.556 20 0 GFADRO CCO[C@@H](CNC(=O)c1cc(Cl)c(F)cc1Br)C[NH+](C)C ZINC000831712809 660721475 /nfs/dbraw/zinc/72/14/75/660721475.db2.gz FZUWDFYQJUZPRY-VIFPVBQESA-N 1 0 381.673 2.938 20 0 GFADRO CCO[C@@H](CNC(=O)c1cc(F)c(Br)cc1Cl)C[NH+](C)C ZINC000831723519 660723011 /nfs/dbraw/zinc/72/30/11/660723011.db2.gz IFCWSQTZGUJWFU-VIFPVBQESA-N 1 0 381.673 2.938 20 0 GFADRO CN(Cc1ccc(Br)cc1Cl)C(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC000832097059 660753762 /nfs/dbraw/zinc/75/37/62/660753762.db2.gz VMYOPEQLCXKYQC-UHFFFAOYSA-N 1 0 383.677 2.744 20 0 GFADRO O=C(NCCC[NH2+]Cc1cccnc1)c1cc(Br)cnc1Cl ZINC000832363563 660775308 /nfs/dbraw/zinc/77/53/08/660775308.db2.gz UHAMKSKHJGUTCT-UHFFFAOYSA-N 1 0 383.677 2.802 20 0 GFADRO CCS(=O)(=O)CCCCC[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C1(C)C ZINC000832649554 660791545 /nfs/dbraw/zinc/79/15/45/660791545.db2.gz IABVRUKRNTUOBR-OAHLLOKOSA-N 1 0 376.563 2.969 20 0 GFADRO CN(CC1([NH+](C)C)CCC1)C(=O)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000832716566 660796689 /nfs/dbraw/zinc/79/66/89/660796689.db2.gz QKRPJGXJFOYWPT-UHFFFAOYSA-N 1 0 378.416 2.536 20 0 GFADRO C[C@@H](CN1CCCC1=O)[NH2+]C[C@](C)(O)c1ccc(Br)cc1Cl ZINC000834362630 660816245 /nfs/dbraw/zinc/81/62/45/660816245.db2.gz GIFMOQCWDWLAEU-ZBEGNZNMSA-N 1 0 389.721 2.911 20 0 GFADRO CCC[C@H](C)NS(=O)(=O)c1cc(C(=O)N[C@H](C)C[NH3+])c(Cl)cc1Cl ZINC000834524899 660823396 /nfs/dbraw/zinc/82/33/96/660823396.db2.gz DIJGAPSCWJSTJA-VHSXEESVSA-N 1 0 396.340 2.537 20 0 GFADRO C[C@@H]([NH2+][C@H]1CCN(c2ccccc2C(N)=O)C1)c1nc(Br)cs1 ZINC000834578070 660825375 /nfs/dbraw/zinc/82/53/75/660825375.db2.gz BIFIMDLJHOCEDF-MNOVXSKESA-N 1 0 395.326 2.934 20 0 GFADRO CCC(CC)[C@@H](CNC(=O)C(=O)Nc1cc(C)cc(Br)n1)[NH+](C)C ZINC000835134830 660841905 /nfs/dbraw/zinc/84/19/05/660841905.db2.gz LKHFFWZPNRNBNY-CYBMUJFWSA-N 1 0 399.333 2.574 20 0 GFADRO C[C@@H](NC(=O)NC[C@@H](O)c1ccccc1Br)C(C)(C)C[NH+](C)C ZINC000836351578 660901097 /nfs/dbraw/zinc/90/10/97/660901097.db2.gz KJCPSDDQBZKRSY-IUODEOHRSA-N 1 0 386.334 2.758 20 0 GFADRO C[NH+](C)CC1(CNC(=O)NC[C@H](O)c2ccccc2Br)CCCC1 ZINC000836429624 660905110 /nfs/dbraw/zinc/90/51/10/660905110.db2.gz NOERDVGGZPJZTH-INIZCTEOSA-N 1 0 398.345 2.904 20 0 GFADRO Cc1c(Br)nccc1NC(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000836680799 660927635 /nfs/dbraw/zinc/92/76/35/660927635.db2.gz XYUAESIPJDBNFT-GFCCVEGCSA-N 1 0 385.306 2.775 20 0 GFADRO O=C(Nc1ccnc(Br)c1)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000836696530 660932733 /nfs/dbraw/zinc/93/27/33/660932733.db2.gz HAUZBZPDHVAKMU-LSDHHAIUSA-N 1 0 397.317 2.734 20 0 GFADRO CC[NH+](CC)CCN(C(=S)Nc1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000011047100 654495387 /nfs/dbraw/zinc/49/53/87/654495387.db2.gz QEFIGRKPHLZXPV-KRWDZBQOSA-N 1 0 383.583 2.523 20 0 GFADRO Brc1cc(C[NH2+]CCc2nnc3ccccn32)cc2c1OCO2 ZINC000017319064 654520535 /nfs/dbraw/zinc/52/05/35/654520535.db2.gz XSSPUTXBMKJCTG-UHFFFAOYSA-N 1 0 375.226 2.553 20 0 GFADRO CC(C)[C@@H](NC(=O)c1cccs1)C(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000023133170 654536362 /nfs/dbraw/zinc/53/63/62/654536362.db2.gz QXSPIUXSXIFDBR-GDBMZVCRSA-N 1 0 379.551 2.983 20 0 GFADRO CCCNc1nnc(SCC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)s1 ZINC000025317112 654548469 /nfs/dbraw/zinc/54/84/69/654548469.db2.gz SUNZYBKDEYHZCJ-AWEZNQCLSA-N 1 0 379.555 2.871 20 0 GFADRO Cc1ccc(C[NH2+]Cc2ccc(S(=O)(=O)N3CCOCC3)s2)c(C)c1 ZINC000030906208 654590405 /nfs/dbraw/zinc/59/04/05/654590405.db2.gz KPGHNSOEKNKTIV-UHFFFAOYSA-N 1 0 380.535 2.676 20 0 GFADRO CCN1CC[NH+](CCCCNC(=S)NCCSc2ccccc2)CC1 ZINC000044159488 654654809 /nfs/dbraw/zinc/65/48/09/654654809.db2.gz FIVSZYRBQBZYLO-UHFFFAOYSA-N 1 0 380.627 2.661 20 0 GFADRO COc1c(Br)cc(Cl)cc1S(=O)(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000044492737 654658782 /nfs/dbraw/zinc/65/87/82/654658782.db2.gz BXKVJCNVRRKMPB-JTQLQIEISA-N 1 0 397.722 2.532 20 0 GFADRO O=C(COc1ccc(Br)cc1)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000045959457 654673035 /nfs/dbraw/zinc/67/30/35/654673035.db2.gz DNGSHMHLSDLXBG-QGZVFWFLSA-N 1 0 397.313 2.541 20 0 GFADRO COc1ccc(CCC(=O)NCCCC[NH+]2CCOCC2)cc1Br ZINC000048286078 654704390 /nfs/dbraw/zinc/70/43/90/654704390.db2.gz CBFZBXPUYPMJDZ-UHFFFAOYSA-N 1 0 399.329 2.619 20 0 GFADRO C[NH+]1CCN(c2cc(CNC(=O)c3cccc(Br)c3)ccn2)CC1 ZINC000048329435 654704970 /nfs/dbraw/zinc/70/49/70/654704970.db2.gz PWCNJQLEKSGPBY-UHFFFAOYSA-N 1 0 389.297 2.526 20 0 GFADRO C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000049958764 654716691 /nfs/dbraw/zinc/71/66/91/654716691.db2.gz ZPFYFUNVKYXYBT-SWLSCSKDSA-N 1 0 379.913 2.939 20 0 GFADRO C[C@@H](NS(=O)(=O)c1ccc(Br)cc1Cl)[C@H]1CCC[NH2+]C1 ZINC000050163284 654718097 /nfs/dbraw/zinc/71/80/97/654718097.db2.gz SMJJRSYAXKMKJU-ZJUUUORDSA-N 1 0 381.723 2.769 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C1CCN(C(=O)c2ccc(Cl)s2)CC1 ZINC000121968994 654726570 /nfs/dbraw/zinc/72/65/70/654726570.db2.gz UTBDJJVNTHINGB-GXTWGEPZSA-N 1 0 383.945 2.982 20 0 GFADRO [NH3+]C[C@@H](NC(=O)c1csc(I)c1)C1CCCCC1 ZINC000121982322 654726788 /nfs/dbraw/zinc/72/67/88/654726788.db2.gz OUYSDKPRGYMWQI-LLVKDONJSA-N 1 0 378.279 2.990 20 0 GFADRO O=C(c1cc(Br)cnc1Cl)N1CCN(c2cc[nH+]cc2)CC1 ZINC000121987211 654727102 /nfs/dbraw/zinc/72/71/02/654727102.db2.gz VZHBEUDNVVIUIF-UHFFFAOYSA-N 1 0 381.661 2.855 20 0 GFADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)c2cc(F)ccc2Br)CC1 ZINC000122176461 654730485 /nfs/dbraw/zinc/73/04/85/654730485.db2.gz MJILKUCLHKFQGG-ZDUSSCGKSA-N 1 0 386.309 2.592 20 0 GFADRO CCN1CC[NH+](C[C@H](C)CNC(=O)COc2cc(Cl)ccc2Cl)CC1 ZINC000122293028 654732506 /nfs/dbraw/zinc/73/25/06/654732506.db2.gz BKSKFMDEROUEJF-CQSZACIVSA-N 1 0 388.339 2.762 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2c(Br)nc3n2CCCC3)C[C@H]1C ZINC000837429508 660996123 /nfs/dbraw/zinc/99/61/23/660996123.db2.gz CTUPRDDDKQXYTC-CHWSQXEVSA-N 1 0 383.334 2.927 20 0 GFADRO O=C(NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1ccccc1Br ZINC000122295887 654732883 /nfs/dbraw/zinc/73/28/83/654732883.db2.gz LLHWMAYNUMTMNG-IRXDYDNUSA-N 1 0 381.314 2.947 20 0 GFADRO CC(C)N(CC[NH+](C)C)C(=O)Nc1cc(Br)cnc1-n1cccn1 ZINC000122454650 654738106 /nfs/dbraw/zinc/73/81/06/654738106.db2.gz RZFHMOLGCAEZIR-UHFFFAOYSA-N 1 0 395.305 2.834 20 0 GFADRO COc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)NC(=O)NC(C)C)cc1Br ZINC000052686713 654738161 /nfs/dbraw/zinc/73/81/61/654738161.db2.gz XEXDXVRBAXLOHY-GHMZBOCLSA-N 1 0 386.290 2.731 20 0 GFADRO CC(C)[C@@H](CNC(=O)NCC[C@@]1(C)CC1(Cl)Cl)[NH+]1CCN(C)CC1 ZINC000837443375 660997746 /nfs/dbraw/zinc/99/77/46/660997746.db2.gz MYDOUJKZLBWSMN-ZBFHGGJFSA-N 1 0 379.376 2.532 20 0 GFADRO CN(Cc1cc(Br)cs1)C(=O)C[N@H+](C[C@H]1CCOC1)C1CC1 ZINC000123810582 654764370 /nfs/dbraw/zinc/76/43/70/654764370.db2.gz NUFGYRGUOSNQEE-GFCCVEGCSA-N 1 0 387.343 2.970 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(F)c(I)c1 ZINC000124499803 654776478 /nfs/dbraw/zinc/77/64/78/654776478.db2.gz OGUMAVIRGAEYBN-LLVKDONJSA-N 1 0 376.213 2.644 20 0 GFADRO C[C@H](CNC(=O)c1cc2c(cccc2Br)[nH]1)C[NH+]1CCN(C)CC1 ZINC000124825834 654781988 /nfs/dbraw/zinc/78/19/88/654781988.db2.gz CWUZQFPABLOCAP-CYBMUJFWSA-N 1 0 393.329 2.544 20 0 GFADRO C[N@@H+](Cc1cccc(C(N)=O)c1)C[C@@H](O)COc1cc(Cl)ccc1Cl ZINC000056514734 654796561 /nfs/dbraw/zinc/79/65/61/654796561.db2.gz NVFBFBZSGJZDBR-OAHLLOKOSA-N 1 0 383.275 2.964 20 0 GFADRO COc1cccc([C@H](CNC(=O)c2cccnc2Br)[NH+](C)C)c1 ZINC000125598571 654799195 /nfs/dbraw/zinc/79/91/95/654799195.db2.gz XAXBMRNMQLECHP-HNNXBMFYSA-N 1 0 378.270 2.885 20 0 GFADRO CN1CC[NH+](CC2CCN(C(=O)CSc3ccccc3Cl)CC2)CC1 ZINC000057065846 654799290 /nfs/dbraw/zinc/79/92/90/654799290.db2.gz JDPUMIOGUPPGDX-UHFFFAOYSA-N 1 0 381.973 2.918 20 0 GFADRO CSc1ncc(Cl)c(C(=O)NC2CC[NH+](Cc3ccncc3)CC2)n1 ZINC000057167063 654802455 /nfs/dbraw/zinc/80/24/55/654802455.db2.gz KSFVDPXSGPSKBN-UHFFFAOYSA-N 1 0 377.901 2.641 20 0 GFADRO CC(C)[N@H+]1[C@@H]2CC[C@H]1CCN(C(=O)c1cncc(I)c1)C2 ZINC000126047705 654807975 /nfs/dbraw/zinc/80/79/75/654807975.db2.gz JSWWLZWKZAPKBM-LSDHHAIUSA-N 1 0 399.276 2.774 20 0 GFADRO CC(C)(C)[N@@H+]1CCCN(C(=O)C(=O)Nc2ccccc2Br)CC1 ZINC000057700968 654808580 /nfs/dbraw/zinc/80/85/80/654808580.db2.gz JKRWMDKQWRCHRH-UHFFFAOYSA-N 1 0 382.302 2.720 20 0 GFADRO C[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1cccc(Cl)c1SCC(F)F ZINC000126348410 654812583 /nfs/dbraw/zinc/81/25/83/654812583.db2.gz IXFCCKNNDHLETF-SNVBAGLBSA-N 1 0 391.871 2.846 20 0 GFADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)NC(c1cccs1)c1cccs1 ZINC000127420624 654829627 /nfs/dbraw/zinc/82/96/27/654829627.db2.gz JVOLHHCZYKZIDB-AWEZNQCLSA-N 1 0 378.567 2.834 20 0 GFADRO Cc1[nH]c(=O)c(C(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)cc1Br ZINC000127432694 654830058 /nfs/dbraw/zinc/83/00/58/654830058.db2.gz KPLPVNSDUKYSKX-CYBMUJFWSA-N 1 0 382.302 2.949 20 0 GFADRO O=S(=O)(NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1cc(F)ccc1Cl ZINC000127527303 654831454 /nfs/dbraw/zinc/83/14/54/654831454.db2.gz JFMQIGPCOFJMAA-JKSUJKDBSA-N 1 0 390.908 2.525 20 0 GFADRO O=S(=O)(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1cccc(Cl)c1F ZINC000127533821 654831622 /nfs/dbraw/zinc/83/16/22/654831622.db2.gz YGBUXUTUJUXIQA-CABCVRRESA-N 1 0 390.908 2.525 20 0 GFADRO C#CCOc1ccc(Br)cc1C[NH2+]CC(C)(C)N1CCOCC1 ZINC000060818329 654833183 /nfs/dbraw/zinc/83/31/83/654833183.db2.gz PBZFYAQXFIGHOM-UHFFFAOYSA-N 1 0 381.314 2.662 20 0 GFADRO CC(C)C[C@H](NC(=O)Cc1cc(Cl)ccc1Cl)C(=O)NCC[NH+](C)C ZINC000128135419 654841685 /nfs/dbraw/zinc/84/16/85/654841685.db2.gz UPCVXWHSELZRPN-INIZCTEOSA-N 1 0 388.339 2.745 20 0 GFADRO C[NH+](C)CCNC(=O)C1CCN(C(=O)Nc2cc(Cl)ccc2Cl)CC1 ZINC000062369017 654845411 /nfs/dbraw/zinc/84/54/11/654845411.db2.gz XRZKPQVXIMRGHC-UHFFFAOYSA-N 1 0 387.311 2.915 20 0 GFADRO CC(C)[C@@H]([NH3+])CCN(C)CC(=O)Nc1ccccc1I ZINC000128471725 654847712 /nfs/dbraw/zinc/84/77/12/654847712.db2.gz XUIHSSMATFDTFG-ZDUSSCGKSA-N 1 0 389.281 2.535 20 0 GFADRO CCS(=O)(=O)CC(=O)N(CCC[NH+](C)C)Cc1ccc(Cl)c(Cl)c1 ZINC000063118712 654848910 /nfs/dbraw/zinc/84/89/10/654848910.db2.gz UNEIZUSLIURMJH-UHFFFAOYSA-N 1 0 395.352 2.708 20 0 GFADRO C[NH+]1CCC(NC(=S)N2CCO[C@@H](c3ccc(Br)cc3)C2)CC1 ZINC000063176984 654850007 /nfs/dbraw/zinc/85/00/07/654850007.db2.gz OEOZZENTABIIPF-MRXNPFEDSA-N 1 0 398.370 2.791 20 0 GFADRO C[NH+]1CCC(CNC(=O)C(=O)Nc2ccccc2SC(F)(F)F)CC1 ZINC000129120817 654857206 /nfs/dbraw/zinc/85/72/06/654857206.db2.gz FATKPLPJWQXVRB-UHFFFAOYSA-N 1 0 375.416 2.695 20 0 GFADRO C[C@@H](CNC(=O)CNC(=O)c1ccc(Cl)c(Cl)c1)C[NH+]1CCCCC1 ZINC000063781957 654857888 /nfs/dbraw/zinc/85/78/88/654857888.db2.gz IZFVPIQTQWPPCF-ZDUSSCGKSA-N 1 0 386.323 2.961 20 0 GFADRO C[C@@H]1CCC[N@H+](CCCCNC(=O)c2ccc(Cl)c(S(C)(=O)=O)c2)C1 ZINC000063822756 654858745 /nfs/dbraw/zinc/85/87/45/654858745.db2.gz XBDSOSCXFWWPQB-CQSZACIVSA-N 1 0 386.945 2.985 20 0 GFADRO Cc1nc(C(=O)N2C[C@@H](C)[C@H]([NH+](C)C)C2)nn1-c1c(Cl)cccc1Cl ZINC000266223173 654864444 /nfs/dbraw/zinc/86/44/44/654864444.db2.gz RWGATDSVDCJTAO-QMTHXVAHSA-N 1 0 382.295 2.905 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)c1cc(Br)c(Br)[nH]1 ZINC000911686235 664253015 /nfs/dbraw/zinc/25/30/15/664253015.db2.gz YUZJFXMIDKWURY-XCBNKYQSSA-N 1 0 379.096 2.882 20 0 GFADRO CS(=O)(=O)N1CCC([NH2+][C@H]2CCc3ccc(OC(F)(F)F)cc32)CC1 ZINC000129781134 654873353 /nfs/dbraw/zinc/87/33/53/654873353.db2.gz CXZLVUCHMPAZLX-HNNXBMFYSA-N 1 0 378.416 2.586 20 0 GFADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)CCc1cc(Br)ccc1F ZINC000129954294 654878861 /nfs/dbraw/zinc/87/88/61/654878861.db2.gz ALLIDJJAEJMLIR-OAHLLOKOSA-N 1 0 387.293 2.748 20 0 GFADRO C[NH+](C)C[C@](C)(O)CNC(=O)NCCOc1c(Cl)cc(Cl)cc1Cl ZINC000130149478 654881103 /nfs/dbraw/zinc/88/11/03/654881103.db2.gz SHIDXCNFPVHDRA-OAHLLOKOSA-N 1 0 398.718 2.637 20 0 GFADRO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NC[C@H](O)c1c(Cl)cccc1Cl ZINC000266555478 654884679 /nfs/dbraw/zinc/88/46/79/654884679.db2.gz IVTYTLOICIGUAU-DOTOQJQBSA-N 1 0 389.323 2.936 20 0 GFADRO CC(=O)Nc1ccc(C[NH2+]C[C@@H](O)COc2ccccc2Br)cc1 ZINC000130975136 654894801 /nfs/dbraw/zinc/89/48/01/654894801.db2.gz KIFAWVDAKQYSEI-MRXNPFEDSA-N 1 0 393.281 2.937 20 0 GFADRO CN(C1CC[NH+](C2CCOCC2)CC1)S(=O)(=O)c1ccc(Cl)s1 ZINC000066103630 654894908 /nfs/dbraw/zinc/89/49/08/654894908.db2.gz LSAUWVWYZPSKMR-UHFFFAOYSA-N 1 0 378.947 2.665 20 0 GFADRO CC[C@H](C)[N@H+](C)CCNC(=O)Cc1csc(NC(=O)c2cccs2)n1 ZINC000066137219 654895666 /nfs/dbraw/zinc/89/56/66/654895666.db2.gz RXWFJMKKWZZPFP-LBPRGKRZSA-N 1 0 380.539 2.846 20 0 GFADRO COc1cc(Br)c(CNC(=O)N[C@@H](C)CC[NH+](C)C)cc1OC ZINC000066191124 654896260 /nfs/dbraw/zinc/89/62/60/654896260.db2.gz XNXUHLCOYLJTMV-NSHDSACASA-N 1 0 388.306 2.606 20 0 GFADRO CC[C@@H](C)[N@H+](C)CCNC(=O)NCC(=O)Nc1cc(Br)ccc1C ZINC000066192732 654896752 /nfs/dbraw/zinc/89/67/52/654896752.db2.gz VFKIYAKLYBYGDN-CYBMUJFWSA-N 1 0 399.333 2.726 20 0 GFADRO CC[NH+]1CCC(CNC(=O)CCN2C(=S)N=NC2c2cccs2)CC1 ZINC000066454377 654902413 /nfs/dbraw/zinc/90/24/13/654902413.db2.gz MMISDLHGSDTZKQ-UHFFFAOYSA-N 1 0 379.555 2.534 20 0 GFADRO CCCC(=O)N1CSC[C@@H]1C(=O)NC[C@@H](c1ccsc1)[NH+](CC)CC ZINC000066613461 654909429 /nfs/dbraw/zinc/90/94/29/654909429.db2.gz QIJPKYVZARBAAW-JKSUJKDBSA-N 1 0 383.583 2.949 20 0 GFADRO COc1cc(CN(C)C(=O)NC[C@]2([NH+](C)C)CCSC2)ccc1SC ZINC000267163193 654914430 /nfs/dbraw/zinc/91/44/30/654914430.db2.gz JSNCIHJLSSERHV-GOSISDBHSA-N 1 0 383.583 2.996 20 0 GFADRO CC[N@H+](C)CCNC(=O)c1cc(Cl)c(I)cc1OC ZINC000066949198 654923358 /nfs/dbraw/zinc/92/33/58/654923358.db2.gz RBRJBXKPPGVHTD-UHFFFAOYSA-N 1 0 396.656 2.635 20 0 GFADRO CCN1CC[NH+](C[C@H](C)CNC(=O)c2c(F)cccc2Br)CC1 ZINC000267275390 654921502 /nfs/dbraw/zinc/92/15/02/654921502.db2.gz UAPPBBXXUSSJFY-CYBMUJFWSA-N 1 0 386.309 2.592 20 0 GFADRO O=C(COC(=O)C1C[NH+](C2CCCCC2)C1)Nc1ccc(Br)cn1 ZINC000838462509 661046557 /nfs/dbraw/zinc/04/65/57/661046557.db2.gz IFGGPTKNBYNXRF-UHFFFAOYSA-N 1 0 396.285 2.590 20 0 GFADRO O=C(c1cc2c(cccc2Br)[nH]1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000267292622 654922570 /nfs/dbraw/zinc/92/25/70/654922570.db2.gz CFWZOOJATUFMNB-ZDUSSCGKSA-N 1 0 392.297 2.725 20 0 GFADRO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(C(=O)Nc2ccc(Cl)cc2Cl)CC1 ZINC000131966649 654923503 /nfs/dbraw/zinc/92/35/03/654923503.db2.gz NKFPZCBMJWPDCR-HNNXBMFYSA-N 1 0 385.295 2.939 20 0 GFADRO Cc1csc([C@](O)(CC(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)C(F)(F)F)n1 ZINC000267314491 654923524 /nfs/dbraw/zinc/92/35/24/654923524.db2.gz UKYDDCJSDWENBI-YWPYICTPSA-N 1 0 379.448 2.581 20 0 GFADRO C[N@@H+](Cc1cc(Br)cs1)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000267385437 654926527 /nfs/dbraw/zinc/92/65/27/654926527.db2.gz VGWNNXOMHDCQDJ-NSHDSACASA-N 1 0 381.361 2.614 20 0 GFADRO CCC[N@H+](C[C@H](O)Cc1ccccc1C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 ZINC000132254944 654930821 /nfs/dbraw/zinc/93/08/21/654930821.db2.gz QLENZZDWXNMWON-HUUCEWRRSA-N 1 0 379.444 2.508 20 0 GFADRO Cc1ccc(NC(=O)C(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)cc1Br ZINC000067764144 654945005 /nfs/dbraw/zinc/94/50/05/654945005.db2.gz ZLKPNBWEPFGDSI-CQSZACIVSA-N 1 0 396.329 2.933 20 0 GFADRO CCS(=O)(=O)NCCC[N@H+](C)CC1(c2ccc(Br)cc2)CC1 ZINC000133051803 654953489 /nfs/dbraw/zinc/95/34/89/654953489.db2.gz OUGAYBORMJXZEP-UHFFFAOYSA-N 1 0 389.359 2.742 20 0 GFADRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1cc(F)ccc1I ZINC000268160822 654961225 /nfs/dbraw/zinc/96/12/25/654961225.db2.gz CTKUDLZCHISCHO-YMTOWFKASA-N 1 0 388.224 2.643 20 0 GFADRO Cc1ccc(C(=O)N2CCN(C(=O)c3sccc3C[NH+](C)C)CC2)s1 ZINC000268167884 654961520 /nfs/dbraw/zinc/96/15/20/654961520.db2.gz UQNZSSVTUWUUNU-UHFFFAOYSA-N 1 0 377.535 2.778 20 0 GFADRO COc1ccc(Br)cc1C(=O)CCC(=O)N[C@@H](C)CC[NH+](C)C ZINC000068474387 654963716 /nfs/dbraw/zinc/96/37/16/654963716.db2.gz BTBRRAKZFFRQFC-LBPRGKRZSA-N 1 0 385.302 2.877 20 0 GFADRO O=C(Nc1cc(F)ccc1Br)C(=O)N1CCC[C@@H](c2ncc[nH]2)C1 ZINC000268215280 654963786 /nfs/dbraw/zinc/96/37/86/654963786.db2.gz VGDHYULBLFWCKS-SNVBAGLBSA-N 1 0 395.232 2.656 20 0 GFADRO CO[C@H](CNC(=O)NC[C@@H](c1ccc(SC)cc1)[NH+](C)C)C(F)(F)F ZINC000838472931 661047153 /nfs/dbraw/zinc/04/71/53/661047153.db2.gz XOIITSJNQJFIJA-UONOGXRCSA-N 1 0 379.448 2.888 20 0 GFADRO C[C@@H](CNS(=O)(=O)c1ccc(Br)cc1Cl)[N@H+](C)C1CC1 ZINC000069129537 654974412 /nfs/dbraw/zinc/97/44/12/654974412.db2.gz XVZIDRVINJTSFL-VIFPVBQESA-N 1 0 381.723 2.864 20 0 GFADRO COc1ccsc1S(=O)(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000268511661 654975695 /nfs/dbraw/zinc/97/56/95/654975695.db2.gz RLRXXLBZCOGDHX-GDBMZVCRSA-N 1 0 380.535 2.946 20 0 GFADRO O=C(N[C@H]1CC[N@H+](CC2CC2)C1)N(CCO)Cc1ccc(Cl)c(Cl)c1 ZINC000133983559 654979399 /nfs/dbraw/zinc/97/93/99/654979399.db2.gz QVJKXBDPENYOKO-HNNXBMFYSA-N 1 0 386.323 2.982 20 0 GFADRO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@@H](C)[C@@H](C)N1CCOCC1 ZINC000133976855 654979426 /nfs/dbraw/zinc/97/94/26/654979426.db2.gz BKPOVFZADINCJP-QLFBSQMISA-N 1 0 398.345 2.865 20 0 GFADRO S=c1oc(-c2cccs2)nn1CN1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000069797012 654986652 /nfs/dbraw/zinc/98/66/52/654986652.db2.gz DORBBXHAXPFFNW-CQSZACIVSA-N 1 0 380.539 2.936 20 0 GFADRO CC[C@@H](Cc1ccccc1Br)C(=O)NC[C@H](C)N1CC[NH+](C)CC1 ZINC000134243175 654987918 /nfs/dbraw/zinc/98/79/18/654987918.db2.gz UWTBVHDCWDZUDF-HOTGVXAUSA-N 1 0 396.373 2.770 20 0 GFADRO COC[C@@](C)(O)C[NH2+]Cc1cc(Br)cc(Br)c1OC ZINC000069912524 654989191 /nfs/dbraw/zinc/98/91/91/654989191.db2.gz BUGBZZXQGNGQET-ZDUSSCGKSA-N 1 0 397.107 2.707 20 0 GFADRO NC(=O)[C@@H]1CCCN1CCC[NH2+][C@H]1CCCOc2cc(Br)ccc21 ZINC000268867795 654989347 /nfs/dbraw/zinc/98/93/47/654989347.db2.gz FRZAJEJZSDBPFQ-HOTGVXAUSA-N 1 0 396.329 2.592 20 0 GFADRO Cc1csc([C@@](O)(CC(=O)N[C@@H](CC(C)C)C[NH+](C)C)C(F)(F)F)n1 ZINC000070449791 654992608 /nfs/dbraw/zinc/99/26/08/654992608.db2.gz BFQXUTHTHGUTNQ-WFASDCNBSA-N 1 0 381.464 2.684 20 0 GFADRO Cc1csc([C@](O)(CC(=O)N[C@@H](CC(C)C)C[NH+](C)C)C(F)(F)F)n1 ZINC000070449792 654992660 /nfs/dbraw/zinc/99/26/60/654992660.db2.gz BFQXUTHTHGUTNQ-SWLSCSKDSA-N 1 0 381.464 2.684 20 0 GFADRO CN(C)C(=O)CN1CCC([NH2+][C@@H]2CCc3c2c(Br)ccc3F)CC1 ZINC000134392096 654993153 /nfs/dbraw/zinc/99/31/53/654993153.db2.gz YMMGPEGMCWMANS-MRXNPFEDSA-N 1 0 398.320 2.718 20 0 GFADRO CC[C@]1(C(=O)NCCc2ccc(I)s2)CCC[NH2+]1 ZINC000134471416 654993917 /nfs/dbraw/zinc/99/39/17/654993917.db2.gz DPBTYWSCVNDNDB-CYBMUJFWSA-N 1 0 378.279 2.544 20 0 GFADRO Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+][C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000268999888 654994734 /nfs/dbraw/zinc/99/47/34/654994734.db2.gz LKJKHFOJUIPTBE-SWLSCSKDSA-N 1 0 380.539 2.588 20 0 GFADRO C[C@@H](Cn1cc(Br)cn1)[NH2+]Cc1cc(F)ccc1N1CCOCC1 ZINC000269002390 654994784 /nfs/dbraw/zinc/99/47/84/654994784.db2.gz PLGQGMFYWWXMDC-ZDUSSCGKSA-N 1 0 397.292 2.800 20 0 GFADRO COCCC[N@H+](CCCOc1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000071121601 654999815 /nfs/dbraw/zinc/99/98/15/654999815.db2.gz POKMAZXHRFPSNU-INIZCTEOSA-N 1 0 375.918 2.635 20 0 GFADRO C[C@@H](NC(=O)c1cc(F)ccc1I)[C@@H]1CCC[NH2+]C1 ZINC000269209360 655001670 /nfs/dbraw/zinc/00/16/70/655001670.db2.gz OYSJKOXPMZAHFJ-NXEZZACHSA-N 1 0 376.213 2.548 20 0 GFADRO O=C(CN1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)Nc1ccc(Br)cn1 ZINC000134943551 655006579 /nfs/dbraw/zinc/00/65/79/655006579.db2.gz UMPADCMYBYSOOE-CJNGLKHVSA-N 1 0 393.329 2.731 20 0 GFADRO Brc1cnc(CN[C@@H]2CC[N@@H+](C3CC3)C2)c(Br)c1 ZINC000135298941 655013526 /nfs/dbraw/zinc/01/35/26/655013526.db2.gz SNNAJIVLLSYCRZ-SNVBAGLBSA-N 1 0 375.108 2.933 20 0 GFADRO Cn1cc(C[NH2+]CCNC(=O)c2cccc(Br)c2)c(C(C)(C)C)n1 ZINC000093965106 655025500 /nfs/dbraw/zinc/02/55/00/655025500.db2.gz GRULHHLZDWROGA-UHFFFAOYSA-N 1 0 393.329 3.000 20 0 GFADRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2cnn3cc(Br)cnc23)C1 ZINC000094013470 655026036 /nfs/dbraw/zinc/02/60/36/655026036.db2.gz CITXBGHJCBVCNS-CHWSQXEVSA-N 1 0 394.317 2.590 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc(Br)cc1[O-] ZINC000094082887 655027004 /nfs/dbraw/zinc/02/70/04/655027004.db2.gz DSCFCABYXDJDRG-OAHLLOKOSA-N 1 0 398.345 2.643 20 0 GFADRO C[NH+](C)C1CCN(CCNC(=O)Nc2cc(F)ccc2Br)CC1 ZINC000136420219 655031091 /nfs/dbraw/zinc/03/10/91/655031091.db2.gz MDDYFYBAILQISD-UHFFFAOYSA-N 1 0 387.297 2.736 20 0 GFADRO CC1CC[NH+](C[C@@H](O)CNC(=O)Nc2cc(F)ccc2Br)CC1 ZINC000136441445 655031450 /nfs/dbraw/zinc/03/14/50/655031450.db2.gz KYGQZUHDXFUBGC-ZDUSSCGKSA-N 1 0 388.281 2.803 20 0 GFADRO CC[NH+]1CCN(c2ccc(CNC(=O)c3cc(Cl)c(Cl)[nH]3)cn2)CC1 ZINC000097359622 655034713 /nfs/dbraw/zinc/03/47/13/655034713.db2.gz YTWISANIRWTJLU-UHFFFAOYSA-N 1 0 382.295 2.788 20 0 GFADRO O=C(NCCCn1ccnc1)N1CCO[C@H](c2ccccc2Br)C1 ZINC000101761309 655047069 /nfs/dbraw/zinc/04/70/69/655047069.db2.gz IZWQNNNCWTXVSK-INIZCTEOSA-N 1 0 393.285 2.819 20 0 GFADRO COc1ccc(CNC(=O)NC[C@H](C)C[NH+]2CCCC2)cc1Br ZINC000101984384 655049226 /nfs/dbraw/zinc/04/92/26/655049226.db2.gz XKSUHQWKJXFYJE-ZDUSSCGKSA-N 1 0 384.318 2.989 20 0 GFADRO C[C@@H]([NH2+]C1CCCCCC1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000151517626 655052081 /nfs/dbraw/zinc/05/20/81/655052081.db2.gz WEMTZZYWQFFLNE-CQSZACIVSA-N 1 0 388.555 2.786 20 0 GFADRO Cc1ccc(NC(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)c(Br)n1 ZINC000151564220 655052353 /nfs/dbraw/zinc/05/23/53/655052353.db2.gz SOBDBELAFFBOPY-CHWSQXEVSA-N 1 0 385.306 2.773 20 0 GFADRO CC[N@H+](CCNC(=O)CCNC(=O)Nc1ccc(Br)cc1)C(C)C ZINC000102495651 655055595 /nfs/dbraw/zinc/05/55/95/655055595.db2.gz HRVXNTLPJWEAEU-UHFFFAOYSA-N 1 0 399.333 2.807 20 0 GFADRO C[C@@H]1C[NH+](CC2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)C[C@@H](C)O1 ZINC000102661256 655057631 /nfs/dbraw/zinc/05/76/31/655057631.db2.gz HMKKSIXZGSOERS-CHWSQXEVSA-N 1 0 392.974 2.911 20 0 GFADRO C[C@H]1C[NH+](CC2CCN(S(=O)(=O)c3ccccc3Cl)CC2)C[C@H](C)O1 ZINC000102661276 655057736 /nfs/dbraw/zinc/05/77/36/655057736.db2.gz YPNTUMWEVRXVNY-GJZGRUSLSA-N 1 0 386.945 2.850 20 0 GFADRO C[NH+](C)C[C@](C)(O)CNC(=O)C(C)(C)Sc1ccc(Br)cc1 ZINC000152815514 655062265 /nfs/dbraw/zinc/06/22/65/655062265.db2.gz AEWJZNMZBKTEMT-MRXNPFEDSA-N 1 0 389.359 2.749 20 0 GFADRO Cc1cccc(NC(=[NH2+])NC[C@@H](O)COc2ccccc2Br)c1 ZINC000153202434 655065119 /nfs/dbraw/zinc/06/51/19/655065119.db2.gz LRTWHRLIGWDRNS-CQSZACIVSA-N 1 0 378.270 2.924 20 0 GFADRO C[NH+]1CCC(CCNC(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)CC1 ZINC000103288405 655070519 /nfs/dbraw/zinc/07/05/19/655070519.db2.gz VMECMGRHMUZXII-UHFFFAOYSA-N 1 0 375.441 2.536 20 0 GFADRO CC[N@@H+]1CCCC[C@H]1C(=O)NCC(=O)Nc1ccc(Br)c(C)c1 ZINC000104150611 655079255 /nfs/dbraw/zinc/07/92/55/655079255.db2.gz UZQLGKZEWVEMPH-HNNXBMFYSA-N 1 0 382.302 2.687 20 0 GFADRO CNC(=O)CN1CCC([NH2+][C@@H]2CCCc3ccc(Br)cc32)CC1 ZINC000271397827 655079669 /nfs/dbraw/zinc/07/96/69/655079669.db2.gz REMQPFVHICGXRK-QGZVFWFLSA-N 1 0 380.330 2.627 20 0 GFADRO C[NH+]1CCN(CCCNC(=O)c2cnc(-c3ccccc3Cl)s2)CC1 ZINC000104211031 655079672 /nfs/dbraw/zinc/07/96/72/655079672.db2.gz KKJDUBYBLVUZEL-UHFFFAOYSA-N 1 0 378.929 2.831 20 0 GFADRO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]C[C@@H](O)c2c(F)cccc2Cl)c1 ZINC000271453636 655081872 /nfs/dbraw/zinc/08/18/72/655081872.db2.gz GFIXNYTZBPPPSA-BDJLRTHQSA-N 1 0 386.876 2.771 20 0 GFADRO CN(CCO)S(=O)(=O)c1ccccc1C[NH2+][C@@H]1CCCc2sccc21 ZINC000271458717 655082213 /nfs/dbraw/zinc/08/22/13/655082213.db2.gz JSZFNXXNOIUIKW-MRXNPFEDSA-N 1 0 380.535 2.528 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)Nc1cccnc1Br ZINC000271596412 655087402 /nfs/dbraw/zinc/08/74/02/655087402.db2.gz WIXHKMBVSPUPMF-CYBMUJFWSA-N 1 0 397.317 2.553 20 0 GFADRO C[C@H](CNC(=O)NC[C@@H](O)COc1cccc(Cl)c1Cl)[N@H+](C)C1CC1 ZINC000105270424 655090033 /nfs/dbraw/zinc/09/00/33/655090033.db2.gz JEWRKCDWKPDTCH-DGCLKSJQSA-N 1 0 390.311 2.515 20 0 GFADRO Cc1ccc(S(=O)(=O)N2CCC([NH2+]Cc3cccnc3Cl)CC2)cc1 ZINC000105417482 655093121 /nfs/dbraw/zinc/09/31/21/655093121.db2.gz DPJBUULCLVOWBP-UHFFFAOYSA-N 1 0 379.913 2.986 20 0 GFADRO O=S1(=O)CCCN1CC[NH2+]Cc1ccc(-c2ccc(Br)cc2)o1 ZINC000105473723 655093583 /nfs/dbraw/zinc/09/35/83/655093583.db2.gz KXPUXQOXWCTXLN-UHFFFAOYSA-N 1 0 399.310 2.834 20 0 GFADRO CC[NH+]1CCN(CCC(=O)NCCOCc2ccc(Cl)cc2Cl)CC1 ZINC000271824356 655096060 /nfs/dbraw/zinc/09/60/60/655096060.db2.gz AEVLCLDYPWGJED-UHFFFAOYSA-N 1 0 388.339 2.654 20 0 GFADRO CC[NH+](CC)CCN(CCOC)C(=O)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000105730229 655098398 /nfs/dbraw/zinc/09/83/98/655098398.db2.gz WOQBYLRQZCONEC-UHFFFAOYSA-N 1 0 390.311 2.749 20 0 GFADRO O=S1(=O)CC[C@@]2(C1)C[C@H]([NH2+]Cc1nc(-c3ccccc3)cs1)CCO2 ZINC000271962664 655099542 /nfs/dbraw/zinc/09/95/42/655099542.db2.gz GGEZKKVGVKMICA-QAPCUYQASA-N 1 0 378.519 2.636 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCN(C(=O)[C@H]2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)C1 ZINC000272266958 655107518 /nfs/dbraw/zinc/10/75/18/655107518.db2.gz NHPIVFXMDPQVPR-MQIPJXDCSA-N 1 0 384.307 2.794 20 0 GFADRO C[C@@H](c1ccccc1Br)N(C)C[C@@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000106384096 655107600 /nfs/dbraw/zinc/10/76/00/655107600.db2.gz DKBOBUHXCQMKNO-XUWVNRHRSA-N 1 0 385.346 2.912 20 0 GFADRO CC(C)(O)C[NH+]1CCN(C(=O)Cc2csc(-c3ccc(Cl)s3)n2)CC1 ZINC000106401268 655108238 /nfs/dbraw/zinc/10/82/38/655108238.db2.gz CYAOFVFQYLLOFQ-UHFFFAOYSA-N 1 0 399.969 2.983 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)c2ccc(Cl)c(I)c2)C1 ZINC000272324713 655109028 /nfs/dbraw/zinc/10/90/28/655109028.db2.gz UOIWUPXPDHBLFL-WCBMZHEXSA-N 1 0 378.641 2.754 20 0 GFADRO O=S(=O)(N[C@@H]1CC[N@@H+](C2CCCC2)C1)c1ccc(F)cc1Br ZINC000106891284 655113199 /nfs/dbraw/zinc/11/31/99/655113199.db2.gz QAJQKOFYDDUZOK-GFCCVEGCSA-N 1 0 391.306 2.883 20 0 GFADRO CC(C)[C@H](C(=O)N[C@@H](C)c1cc2c(cc1Br)OCCO2)[NH+](C)C ZINC000106909122 655114545 /nfs/dbraw/zinc/11/45/45/655114545.db2.gz MNBMUMSTMZEYMU-MEDUHNTESA-N 1 0 385.302 2.984 20 0 GFADRO OCCOCCC[NH2+]Cc1cc(Br)ccc1OCc1ccccn1 ZINC000272533434 655115809 /nfs/dbraw/zinc/11/58/09/655115809.db2.gz KHNCSAFFBOJHDZ-UHFFFAOYSA-N 1 0 395.297 2.912 20 0 GFADRO Cn1nc(Br)cc1NC(=O)/C=C/c1ccc(OCC[NH+](C)C)cc1 ZINC000839362832 661081012 /nfs/dbraw/zinc/08/10/12/661081012.db2.gz LRIBJHNZALMWHC-RMKNXTFCSA-N 1 0 393.285 2.775 20 0 GFADRO C[NH+](C)CCN(Cc1ccccn1)S(=O)(=O)c1cccc2c1N=S=N2 ZINC000107308491 655119587 /nfs/dbraw/zinc/11/95/87/655119587.db2.gz NJFZWFYCVXLYAV-UHFFFAOYSA-N 1 0 377.495 2.561 20 0 GFADRO COc1cc(/C=C/C(=O)N[C@H](C)C2=CC[N@H+](C)CC2)cc(Br)c1O ZINC000272764793 655120873 /nfs/dbraw/zinc/12/08/73/655120873.db2.gz GGDKQKPHAUVRBX-ZYOFXKKJSA-N 1 0 395.297 2.943 20 0 GFADRO CO[C@H](C)CCC(=O)Nc1cc(Br)ccc1N1CC[NH+](C)CC1 ZINC000272768051 655121100 /nfs/dbraw/zinc/12/11/00/655121100.db2.gz SJMBHDGAEYUWJM-CYBMUJFWSA-N 1 0 384.318 2.955 20 0 GFADRO O=C1OCC[C@@H]1CC[NH+]1CCN(Cc2ccc(Br)c(F)c2)CC1 ZINC000161799513 655128721 /nfs/dbraw/zinc/12/87/21/655128721.db2.gz IHUCFXCUESQLEY-AWEZNQCLSA-N 1 0 385.277 2.659 20 0 GFADRO Cn1ccnc1Sc1ncc(C(=O)NC[C@@H]2CCC[N@H+](C)C2)cc1Cl ZINC000108330908 655131398 /nfs/dbraw/zinc/13/13/98/655131398.db2.gz OWWJNSDLYALTFH-LBPRGKRZSA-N 1 0 379.917 2.691 20 0 GFADRO C[N@@H+]1CCC[C@H](CNC(=O)Nc2cc3c(cc2Br)OCCO3)C1 ZINC000108498093 655134416 /nfs/dbraw/zinc/13/44/16/655134416.db2.gz BXKUOBDXPUGBAK-LLVKDONJSA-N 1 0 384.274 2.684 20 0 GFADRO CC[NH+]1CCN(CCC(=O)Nc2ccc(Sc3nncs3)cc2)CC1 ZINC000108894960 655139145 /nfs/dbraw/zinc/13/91/45/655139145.db2.gz VHYPCCWSEAQJIW-UHFFFAOYSA-N 1 0 377.539 2.655 20 0 GFADRO COCC[NH+]1CCC(NC(=O)NCCCc2cccc(Br)c2)CC1 ZINC000108929540 655139428 /nfs/dbraw/zinc/13/94/28/655139428.db2.gz MUBGMBWNCSBGQE-UHFFFAOYSA-N 1 0 398.345 2.792 20 0 GFADRO CC[N@H+](CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1)[C@H](C)CS(=O)(=O)CC ZINC000839493872 661087206 /nfs/dbraw/zinc/08/72/06/661087206.db2.gz YMCDNSHKTPNYPL-HZPDHXFCSA-N 1 0 376.563 2.779 20 0 GFADRO COCCn1cc(C[NH2+]CCc2cn3cc(Br)cc(C)c3n2)cn1 ZINC000273495847 655145225 /nfs/dbraw/zinc/14/52/25/655145225.db2.gz OHXFDMXMTPSFAK-UHFFFAOYSA-N 1 0 392.301 2.580 20 0 GFADRO CS(=O)(=O)c1cccc(Cl)c1C[NH2+][C@H]1CCO[C@]2(CCSC2)C1 ZINC000273505931 655145829 /nfs/dbraw/zinc/14/58/29/655145829.db2.gz WBTKVAMZWMNAMZ-BLLLJJGKSA-N 1 0 375.943 2.888 20 0 GFADRO CC(C)[C@H](C(=O)Nc1ncn(Cc2cccc(Br)c2)n1)[NH+](C)C ZINC000110673710 655158547 /nfs/dbraw/zinc/15/85/47/655158547.db2.gz WOYOOQPJJQDXNR-CQSZACIVSA-N 1 0 380.290 2.614 20 0 GFADRO CC[N@@H+]1CCCN(C(=O)[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)CC1 ZINC000110815406 655160154 /nfs/dbraw/zinc/16/01/54/655160154.db2.gz YDZLMCFPMDPSKR-CQSZACIVSA-N 1 0 384.307 2.901 20 0 GFADRO CN(CCCN1CC[NH+](C)CC1)C(=O)C(C)(C)c1ccc(Br)cc1 ZINC000110866117 655160793 /nfs/dbraw/zinc/16/07/93/655160793.db2.gz MAPUXKXVHTZDNL-UHFFFAOYSA-N 1 0 396.373 2.823 20 0 GFADRO CC1CC[NH+](CCCNC(=O)COc2ccc(C=O)cc2Br)CC1 ZINC000173120404 655163266 /nfs/dbraw/zinc/16/32/66/655163266.db2.gz FVIVGTDEDPHTFW-UHFFFAOYSA-N 1 0 397.313 2.879 20 0 GFADRO Cn1nc(C(=O)N2C[C@H]3CCC[N@@H+]3Cc3ccccc32)cc1Br ZINC000839254247 661077135 /nfs/dbraw/zinc/07/71/35/661077135.db2.gz HTLNBDQOIAQYET-CYBMUJFWSA-N 1 0 375.270 2.807 20 0 GFADRO C[C@H]([NH2+]Cc1ccc(C(=O)NCC(N)=O)cc1)c1cccc(Br)c1 ZINC000173328191 655168724 /nfs/dbraw/zinc/16/87/24/655168724.db2.gz FGIMZFIKOQQQOM-LBPRGKRZSA-N 1 0 390.281 2.515 20 0 GFADRO COCCOC[C@H]1CCN(Cn2ncn(CCc3cccs3)c2=S)C1 ZINC000173396067 655169796 /nfs/dbraw/zinc/16/97/96/655169796.db2.gz LAZPOWBJIFGICF-HNNXBMFYSA-N 1 0 382.555 2.661 20 0 GFADRO Cc1ccc([C@@H](CNC(=O)c2c[nH]c(=O)c(Br)c2)[NH+]2CCCC2)o1 ZINC000173406973 655170359 /nfs/dbraw/zinc/17/03/59/655170359.db2.gz SJXRPGLPHQGZBK-CQSZACIVSA-N 1 0 394.269 2.606 20 0 GFADRO Cc1n[nH]c(C)c1C[NH2+]CCC(=O)N(C)Cc1ccccc1Br ZINC000111391172 655172587 /nfs/dbraw/zinc/17/25/87/655172587.db2.gz SSEVCRUIANUQSQ-UHFFFAOYSA-N 1 0 379.302 2.927 20 0 GFADRO CC[NH+](CC)[C@H]1CCN(C(=O)Nc2ccc(NS(C)(=O)=O)c(Cl)c2)C1 ZINC000173555816 655174827 /nfs/dbraw/zinc/17/48/27/655174827.db2.gz QHALGPITLUTBCP-ZDUSSCGKSA-N 1 0 388.921 2.660 20 0 GFADRO CC(C)[NH2+]C1CCN(C(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)CC1 ZINC000111710643 655176673 /nfs/dbraw/zinc/17/66/73/655176673.db2.gz YXOQVCXYUIGJBV-UHFFFAOYSA-N 1 0 375.441 2.677 20 0 GFADRO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)Nc2cccc(Br)c2C)C1 ZINC000173712219 655176995 /nfs/dbraw/zinc/17/69/95/655176995.db2.gz HYQHDYMBNWSQLN-CYBMUJFWSA-N 1 0 382.302 2.639 20 0 GFADRO COCCOC[C@@H]1CC[N@H+](CC(=O)N(C)Cc2cc(Cl)cc(Cl)c2)C1 ZINC000173728145 655177843 /nfs/dbraw/zinc/17/78/43/655177843.db2.gz DWZQZTTUNYOFTC-CQSZACIVSA-N 1 0 389.323 2.937 20 0 GFADRO CCOCCN1CCN(C(=O)N[C@H]2CCc3c2cccc3Br)CC1 ZINC000111853873 655178202 /nfs/dbraw/zinc/17/82/02/655178202.db2.gz QXNGRZKJVNDZAE-KRWDZBQOSA-N 1 0 396.329 2.800 20 0 GFADRO Cn1ncc(C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)c1Br ZINC000274240112 655181159 /nfs/dbraw/zinc/18/11/59/655181159.db2.gz RCDBLBZUPDESCP-UHFFFAOYSA-N 1 0 391.313 2.825 20 0 GFADRO Cn1ncc(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)c1Br ZINC000274255804 655182254 /nfs/dbraw/zinc/18/22/54/655182254.db2.gz UJWQULJHOMPCFP-UHFFFAOYSA-N 1 0 377.286 2.708 20 0 GFADRO COC(=O)CN1CCC([NH2+][C@H](C)[C@H](O)c2c(Cl)cccc2Cl)CC1 ZINC000274322410 655184800 /nfs/dbraw/zinc/18/48/00/655184800.db2.gz DCANMRCNXAKGCH-DIFFPNOSSA-N 1 0 375.296 2.642 20 0 GFADRO C[C@@H](Cc1cccc(Br)c1)NC(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000173910731 655184820 /nfs/dbraw/zinc/18/48/20/655184820.db2.gz NDVUFRXHPCKRBB-ZDUSSCGKSA-N 1 0 394.317 2.960 20 0 GFADRO OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCc1cncc(Br)c1 ZINC000274340734 655185470 /nfs/dbraw/zinc/18/54/70/655185470.db2.gz PQXQLPBWBIHDQF-PKOBYXMFSA-N 1 0 390.325 2.817 20 0 GFADRO CC[NH+](CC)[C@@H]1CCN(S(=O)(=O)c2cc(Br)ccc2F)C1 ZINC000173993201 655188657 /nfs/dbraw/zinc/18/86/57/655188657.db2.gz MFBKCBVOONUUGV-GFCCVEGCSA-N 1 0 379.295 2.693 20 0 GFADRO CC[NH+](CC)[C@@H]1CCN(S(=O)(=O)N(C)Cc2c(F)cccc2Cl)C1 ZINC000173993842 655188769 /nfs/dbraw/zinc/18/87/69/655188769.db2.gz WTRFAPRSWNMIQR-CYBMUJFWSA-N 1 0 377.913 2.572 20 0 GFADRO COC(=O)CC[N@H+](CC(=O)Nc1cccc(Cl)c1Cl)C1CCOCC1 ZINC000174000072 655189422 /nfs/dbraw/zinc/18/94/22/655189422.db2.gz JWXGKAYVJVDWCE-UHFFFAOYSA-N 1 0 389.279 2.976 20 0 GFADRO CCC[C@@H](O)C[NH2+]Cc1cc(I)c(OC)c(OC)c1 ZINC000112377027 655190453 /nfs/dbraw/zinc/19/04/53/655190453.db2.gz AYWBLSPJAFBCHV-LLVKDONJSA-N 1 0 379.238 2.559 20 0 GFADRO CC(C)[C@@H](CNC(=O)c1cnc(-c2ccsc2)s1)N1CC[NH+](C)CC1 ZINC000112403669 655190740 /nfs/dbraw/zinc/19/07/40/655190740.db2.gz ROFFIRXFPPOFAQ-OAHLLOKOSA-N 1 0 378.567 2.873 20 0 GFADRO O=C(CC[NH+]1CCC(n2cncn2)CC1)Nc1ccccc1Br ZINC000112544250 655193167 /nfs/dbraw/zinc/19/31/67/655193167.db2.gz ZDAIQDXHCSNREP-UHFFFAOYSA-N 1 0 378.274 2.706 20 0 GFADRO NC(=O)[C@]1(c2ccccc2)CC[N@H+](C[C@@H](O)c2cccc(Br)c2)C1 ZINC000839638802 661097766 /nfs/dbraw/zinc/09/77/66/661097766.db2.gz ATYXLUDONSKZJG-IEBWSBKVSA-N 1 0 389.293 2.612 20 0 GFADRO C[C@H]1C[C@@H](N(C)C(=O)NCCOc2cccc(Br)c2)CC[N@@H+]1C ZINC000174220594 655193812 /nfs/dbraw/zinc/19/38/12/655193812.db2.gz CKFBKBXCBUMADB-ZFWWWQNUSA-N 1 0 384.318 2.952 20 0 GFADRO NC(=O)CC[C@H]1CCC[N@H+](CCC(=O)Nc2cccc(Br)c2)C1 ZINC000112662629 655194689 /nfs/dbraw/zinc/19/46/89/655194689.db2.gz GUCORPQVESCSKC-CYBMUJFWSA-N 1 0 382.302 2.755 20 0 GFADRO NC(=O)[C@@]1(c2ccccc2)CC[N@H+](C[C@@H](O)c2ccc(Br)cc2)C1 ZINC000839643166 661098314 /nfs/dbraw/zinc/09/83/14/661098314.db2.gz PJCDHQPWNOBHSZ-MJGOQNOKSA-N 1 0 389.293 2.612 20 0 GFADRO CC[NH+]1CCN([C@@H](C)CNC(=O)[C@@H](C)Oc2cccc(Cl)c2Cl)CC1 ZINC000112917528 655199860 /nfs/dbraw/zinc/19/98/60/655199860.db2.gz MTZIQPITPRGLAP-UONOGXRCSA-N 1 0 388.339 2.903 20 0 GFADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)COC[C@H]1CCCO1 ZINC000113056438 655202221 /nfs/dbraw/zinc/20/22/21/655202221.db2.gz WDZVEFYTQSRBRE-QGZVFWFLSA-N 1 0 399.329 2.535 20 0 GFADRO Cc1sc(Br)nc1C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000839684551 661099676 /nfs/dbraw/zinc/09/96/76/661099676.db2.gz WXNWXEOVBPBDKV-GFCCVEGCSA-N 1 0 388.331 2.587 20 0 GFADRO CC1CC[NH+](CCCNC(=O)c2cc(Br)cnc2N(C)C)CC1 ZINC000113142448 655204022 /nfs/dbraw/zinc/20/40/22/655204022.db2.gz GIKDZDITEPAUIM-UHFFFAOYSA-N 1 0 383.334 2.762 20 0 GFADRO C[NH+]1CCC(C(=O)N2CCN(C(=O)c3cc(Cl)cc(Cl)c3)CC2)CC1 ZINC000174586486 655204432 /nfs/dbraw/zinc/20/44/32/655204432.db2.gz GNHWPYJLDVFXRN-UHFFFAOYSA-N 1 0 384.307 2.620 20 0 GFADRO O=C(NCCC[NH+]1CCCCC1)C(=O)Nc1ccc(F)c(Br)c1 ZINC000174597765 655204724 /nfs/dbraw/zinc/20/47/24/655204724.db2.gz SBWZLIPRORUJGG-UHFFFAOYSA-N 1 0 386.265 2.519 20 0 GFADRO COc1cc(C[NH2+]CCS(=O)(=O)C(C)(C)C)ccc1OCC(F)(F)F ZINC000113344822 655208254 /nfs/dbraw/zinc/20/82/54/655208254.db2.gz GKXNDPSTDYUSHN-UHFFFAOYSA-N 1 0 383.432 2.939 20 0 GFADRO Cn1c(C[NH+]2CCC(CCC(N)=O)CC2)nc2ccc(Br)cc21 ZINC000275018555 655211625 /nfs/dbraw/zinc/21/16/25/655211625.db2.gz SJCZHRLYVYKYRJ-UHFFFAOYSA-N 1 0 379.302 2.813 20 0 GFADRO Cn1c2cc(Br)ccc2nc1C[N@@H+]1CCC[C@@H](C2OCCO2)C1 ZINC000275106244 655217271 /nfs/dbraw/zinc/21/72/71/655217271.db2.gz MGEBHGODTNJHMJ-GFCCVEGCSA-N 1 0 380.286 2.921 20 0 GFADRO C[C@@H](C(=O)NCCNC(=O)c1ccc(Br)cc1)[NH+]1CCCCCC1 ZINC000114245810 655219739 /nfs/dbraw/zinc/21/97/39/655219739.db2.gz HJQQJZKUOKLHAH-AWEZNQCLSA-N 1 0 396.329 2.560 20 0 GFADRO Cc1nn(C)c(Cl)c1S(=O)(=O)NCC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000175333878 655220363 /nfs/dbraw/zinc/22/03/63/655220363.db2.gz SXTIWTGMCLQBMH-ZDUSSCGKSA-N 1 0 384.933 2.571 20 0 GFADRO CC[N@@H+]1CC[C@H](CNC(=O)CNC(=O)c2sc3ccccc3c2Cl)C1 ZINC000175316821 655220386 /nfs/dbraw/zinc/22/03/86/655220386.db2.gz HSFBVTUJOCMTRL-GFCCVEGCSA-N 1 0 379.913 2.743 20 0 GFADRO COCCOC[C@H]1CC[N@H+](Cc2nc3ccc(Br)cc3n2C)C1 ZINC000275172072 655221028 /nfs/dbraw/zinc/22/10/28/655221028.db2.gz VPISUVUEYQIMMO-ZDUSSCGKSA-N 1 0 382.302 2.821 20 0 GFADRO C[N@H+](C[C@@H](O)COCc1ccccc1)C[C@H](O)c1cccc(Br)c1 ZINC000114462668 655224610 /nfs/dbraw/zinc/22/46/10/655224610.db2.gz HOPGLYDUAQGPFD-MOPGFXCFSA-N 1 0 394.309 2.992 20 0 GFADRO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)CN1CC[C@H](C[NH+](C)C)C1 ZINC000114479968 655224817 /nfs/dbraw/zinc/22/48/17/655224817.db2.gz HDHPNFCDZOPDAE-LLVKDONJSA-N 1 0 388.295 2.602 20 0 GFADRO Cc1cc(NC(=O)C(=O)N2CCC(C)=C(Br)C2)ccc1C[NH+](C)C ZINC000839549181 661091227 /nfs/dbraw/zinc/09/12/27/661091227.db2.gz XQABBYURENKENW-UHFFFAOYSA-N 1 0 394.313 2.896 20 0 GFADRO O=C(c1cccnc1SC(F)(F)F)N1CC[NH+](C2CCOCC2)CC1 ZINC000175836947 655227936 /nfs/dbraw/zinc/22/79/36/655227936.db2.gz FBRITORBYOPBMC-UHFFFAOYSA-N 1 0 375.416 2.630 20 0 GFADRO Cc1ccc([C@H](CNC(=O)c2cc(I)c[nH]2)[NH+](C)C)cc1 ZINC000115347588 655235832 /nfs/dbraw/zinc/23/58/32/655235832.db2.gz IORVUXPVQCRNFR-HNNXBMFYSA-N 1 0 397.260 2.960 20 0 GFADRO C[NH+](C)C1(CNC(=O)C(=O)Nc2ccc(Cl)c(Br)c2)CCC1 ZINC000275473414 655237521 /nfs/dbraw/zinc/23/75/21/655237521.db2.gz AWVVZYOMESFBIQ-UHFFFAOYSA-N 1 0 388.693 2.642 20 0 GFADRO C[C@H](NC(=O)c1cc(=O)[nH]c2c(Br)cccc12)C(C)(C)C[NH+](C)C ZINC000176170322 655238149 /nfs/dbraw/zinc/23/81/49/655238149.db2.gz FFCBOYVINBUDKO-NSHDSACASA-N 1 0 394.313 2.997 20 0 GFADRO Cc1cc(Br)ccc1CNC(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000176187089 655238815 /nfs/dbraw/zinc/23/88/15/655238815.db2.gz PWVABOOCEXUGBO-OAHLLOKOSA-N 1 0 396.329 2.621 20 0 GFADRO COc1cc(Cl)c(S(=O)(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)cc1Cl ZINC000115585811 655239532 /nfs/dbraw/zinc/23/95/32/655239532.db2.gz YEOGZRXCZYHRFW-LLVKDONJSA-N 1 0 381.325 2.964 20 0 GFADRO C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+]1CC[C@H](O)C(C)(C)C1 ZINC000275520724 655239870 /nfs/dbraw/zinc/23/98/70/655239870.db2.gz VGRKJRPWIFPKGT-BBRMVZONSA-N 1 0 383.330 2.889 20 0 GFADRO COc1nc(N[C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)ncc1Br ZINC000176259611 655242250 /nfs/dbraw/zinc/24/22/50/655242250.db2.gz ZXVZDXYUPMRTKH-DOMZBBRYSA-N 1 0 392.301 2.965 20 0 GFADRO CSc1nnc(CNC(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)s1 ZINC000275619053 655244270 /nfs/dbraw/zinc/24/42/70/655244270.db2.gz OLQUQUGFWXWMGF-CQSZACIVSA-N 1 0 377.539 2.896 20 0 GFADRO C[NH+](C)[C@@]1(CNC(=O)c2cc(Br)ncc2Cl)CCSC1 ZINC000275727408 655248703 /nfs/dbraw/zinc/24/87/03/655248703.db2.gz SGGRTJVXLSLMMR-CYBMUJFWSA-N 1 0 378.723 2.665 20 0 GFADRO Cc1cc(Br)cc(NC(=O)C(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)c1 ZINC000275732772 655248778 /nfs/dbraw/zinc/24/87/78/655248778.db2.gz AERXHWWLMBWDFO-ZDUSSCGKSA-N 1 0 396.329 2.885 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)C(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1 ZINC000275735450 655249106 /nfs/dbraw/zinc/24/91/06/655249106.db2.gz ANSSEXNEGWOFDK-ZDUSSCGKSA-N 1 0 396.329 2.885 20 0 GFADRO O=C(Nc1ccncc1I)N1CCC([NH+]2CC=CC2)CC1 ZINC000275768005 655250340 /nfs/dbraw/zinc/25/03/40/655250340.db2.gz NREFYAKPXJVYGO-UHFFFAOYSA-N 1 0 398.248 2.554 20 0 GFADRO CC(C)[C@@H](Oc1ccccc1Br)C(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000116789503 655253544 /nfs/dbraw/zinc/25/35/44/655253544.db2.gz IYBDMJLYOQWSGC-WMLDXEAASA-N 1 0 399.329 2.642 20 0 GFADRO COc1c[nH+]ccc1N1CCN(C(=O)c2nc(Br)sc2C)CC1 ZINC000839748581 661104513 /nfs/dbraw/zinc/10/45/13/661104513.db2.gz UGCQVUMFCDTQSJ-UHFFFAOYSA-N 1 0 397.298 2.580 20 0 GFADRO Cc1cc(S(=O)(=O)NC2CC[NH+](Cc3ccccc3)CC2)cnc1Cl ZINC000117356552 655264472 /nfs/dbraw/zinc/26/44/72/655264472.db2.gz DVQVMOJRYGMELQ-UHFFFAOYSA-N 1 0 379.913 2.986 20 0 GFADRO CC[N@@H+]1CC[C@H](CNC(=O)c2nn(-c3ccc(F)cc3)cc2Br)C1 ZINC000117762259 655267633 /nfs/dbraw/zinc/26/76/33/655267633.db2.gz ZOUPHRUSJIYDQL-GFCCVEGCSA-N 1 0 395.276 2.846 20 0 GFADRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(=O)Nc2ccc(Br)cc2)C1 ZINC000118112383 655271805 /nfs/dbraw/zinc/27/18/05/655271805.db2.gz GNKNWOOKDKRXJZ-ZDUSSCGKSA-N 1 0 382.302 2.624 20 0 GFADRO CCCC[N@H+](C)CCNC(=O)C(=O)Nc1c(C)cc(Br)cc1C ZINC000118114716 655272190 /nfs/dbraw/zinc/27/21/90/655272190.db2.gz DHODPTBBZRVBHW-UHFFFAOYSA-N 1 0 384.318 2.853 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)/C=C/c2ccc(I)o2)C1 ZINC000177487664 655277333 /nfs/dbraw/zinc/27/73/33/655277333.db2.gz QKHIRODIQWNDMT-FUDMEFDJSA-N 1 0 388.249 2.886 20 0 GFADRO C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)C1 ZINC000177528941 655279744 /nfs/dbraw/zinc/27/97/44/655279744.db2.gz YPZIVDPKYALPSG-LLVKDONJSA-N 1 0 377.794 2.850 20 0 GFADRO Cc1ccc(NC(=O)C(=O)NC[C@@H](C)C[NH+]2CCCCC2)cc1Br ZINC000118896231 655283099 /nfs/dbraw/zinc/28/30/99/655283099.db2.gz QIZVMWXNUWOHKD-CYBMUJFWSA-N 1 0 396.329 2.934 20 0 GFADRO CCC(CC)(CC)[NH2+]CC(=O)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1 ZINC000118981083 655285474 /nfs/dbraw/zinc/28/54/74/655285474.db2.gz NOLBHNZSCZPWNO-HNNXBMFYSA-N 1 0 386.583 2.822 20 0 GFADRO C[NH+](C)C1(CNC(=O)c2nc(Br)ccc2Br)CCC1 ZINC000276951755 655294960 /nfs/dbraw/zinc/29/49/60/655294960.db2.gz KCPACULYFIFOJF-UHFFFAOYSA-N 1 0 391.107 2.821 20 0 GFADRO C[C@@H]([NH2+]Cc1ccccc1CS(=O)(=O)N1CCOCC1)c1ccsc1 ZINC000178011000 655295287 /nfs/dbraw/zinc/29/52/87/655295287.db2.gz BOUWEIKJLLWWRQ-OAHLLOKOSA-N 1 0 380.535 2.761 20 0 GFADRO Cc1cc(NC(=O)C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)ccc1Br ZINC000178018184 655295739 /nfs/dbraw/zinc/29/57/39/655295739.db2.gz WTOPELHIHXWBCD-JSGCOSHPSA-N 1 0 382.302 2.685 20 0 GFADRO Cc1cc(C(=O)N2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)ccc1Br ZINC000119265401 655296035 /nfs/dbraw/zinc/29/60/35/655296035.db2.gz PRCFZUXCDSNILD-KRWDZBQOSA-N 1 0 394.357 3.000 20 0 GFADRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N[C@@H](CO)c2cccc(Br)c2)C1 ZINC000178082390 655297024 /nfs/dbraw/zinc/29/70/24/655297024.db2.gz IZLSCXDCVPTNPH-YOEHRIQHSA-N 1 0 398.345 2.902 20 0 GFADRO O=S(=O)(N1CCC(C[NH2+][C@H]2CCc3cc(F)ccc32)CC1)C(F)(F)F ZINC000178106534 655298004 /nfs/dbraw/zinc/29/80/04/655298004.db2.gz KVCKXLSWTWWION-HNNXBMFYSA-N 1 0 380.407 2.964 20 0 GFADRO NC(=O)c1csc(C[NH2+]C[C@@H](CO)Cc2cccc(Br)c2)c1 ZINC000277028947 655299072 /nfs/dbraw/zinc/29/90/72/655299072.db2.gz NRHMQORGDAXBBK-LBPRGKRZSA-N 1 0 383.311 2.550 20 0 GFADRO Cc1csc([C@](O)(CC(=O)N2CCC[C@H]([NH+](C)C)CC2)C(F)(F)F)n1 ZINC000277133339 655304892 /nfs/dbraw/zinc/30/48/92/655304892.db2.gz GSEMYAMCMDLRAT-SWLSCSKDSA-N 1 0 379.448 2.534 20 0 GFADRO CN(Cc1ccccc1Br)C(=O)CN1CCC[C@H]([NH+](C)C)CC1 ZINC000277152485 655305566 /nfs/dbraw/zinc/30/55/66/655305566.db2.gz JRQQKKIAXLXVOR-INIZCTEOSA-N 1 0 382.346 2.824 20 0 GFADRO [NH3+]C[C@H]1CCN(C(=O)c2nn(-c3cccc(Br)c3)c3c2CCC3)C1 ZINC000178591384 655305603 /nfs/dbraw/zinc/30/56/03/655305603.db2.gz KMOFJJNRDLGCMC-GFCCVEGCSA-N 1 0 389.297 2.544 20 0 GFADRO CC(=O)NC1CCC([NH2+]C[C@H](CO)Cc2ccccc2Br)CC1 ZINC000277169738 655306231 /nfs/dbraw/zinc/30/62/31/655306231.db2.gz RUEQFIHDUQDQQH-ODIFPOPNSA-N 1 0 383.330 2.637 20 0 GFADRO COC[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1)C1CC1 ZINC000119837586 655317639 /nfs/dbraw/zinc/31/76/39/655317639.db2.gz KMRNKZQQTQRAFE-QGZVFWFLSA-N 1 0 398.345 2.947 20 0 GFADRO Cc1c(Br)cc(C(=O)N(CC[NH+](C)C)C2CCCCC2)c(=O)n1C ZINC000277473318 655321499 /nfs/dbraw/zinc/32/14/99/655321499.db2.gz OZSFKGFFZSLCHH-UHFFFAOYSA-N 1 0 398.345 2.793 20 0 GFADRO O=C(Nc1cccnc1Br)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000119967864 655323097 /nfs/dbraw/zinc/32/30/97/655323097.db2.gz HUAUXPXFKSJULX-UHFFFAOYSA-N 1 0 397.317 2.953 20 0 GFADRO CC[N@H+](CCO)[C@@H](C)C(=O)Nc1ccc(Br)cc1Br ZINC000119964290 655323121 /nfs/dbraw/zinc/32/31/21/655323121.db2.gz JZZZXJFKFKQQIB-VIFPVBQESA-N 1 0 394.107 2.853 20 0 GFADRO CCOCC[C@@H](O)C[NH+]1CCC(C(=O)Nc2cccc(Br)c2)CC1 ZINC000277513403 655323896 /nfs/dbraw/zinc/32/38/96/655323896.db2.gz NHWNZGYMOQIKJQ-QGZVFWFLSA-N 1 0 399.329 2.887 20 0 GFADRO CCCN(C)S(=O)(=O)N(CC[NH+](C)C)Cc1cccc(C(F)(F)F)c1 ZINC000119991175 655324364 /nfs/dbraw/zinc/32/43/64/655324364.db2.gz KFDLRNLVYVCDLA-UHFFFAOYSA-N 1 0 381.464 2.656 20 0 GFADRO CCC[C@H]1CN(C(=O)Nc2cncc(Br)c2)CC[N@@H+]1CCOC ZINC000120043201 655325601 /nfs/dbraw/zinc/32/56/01/655325601.db2.gz YMPLASSHTSHPHW-HNNXBMFYSA-N 1 0 385.306 2.809 20 0 GFADRO COC[C@H]([NH2+][C@@H](C)C(=O)N(C)Cc1ccc(Br)cc1)[C@H]1CCCO1 ZINC000278747304 655326183 /nfs/dbraw/zinc/32/61/83/655326183.db2.gz MDXLENZNWZYSFG-RRQGHBQHSA-N 1 0 399.329 2.580 20 0 GFADRO Cc1c(Cl)c(C(=O)Nc2cccc(C[NH+](C)C)c2)sc1S(N)(=O)=O ZINC000279162153 655327235 /nfs/dbraw/zinc/32/72/35/655327235.db2.gz GGCMFFUWOJPNBJ-UHFFFAOYSA-N 1 0 387.914 2.671 20 0 GFADRO COc1ccccc1N1CC[C@@H]([NH2+]Cc2c(Br)c(C)nn2C)C1 ZINC000279162591 655327269 /nfs/dbraw/zinc/32/72/69/655327269.db2.gz QAJIAGJFMLDXKZ-CYBMUJFWSA-N 1 0 379.302 2.868 20 0 GFADRO Cc1[nH]c(=S)sc1CC(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000180746959 655329855 /nfs/dbraw/zinc/32/98/55/655329855.db2.gz SAEBGRMUMDNOPC-UHFFFAOYSA-N 1 0 383.583 2.634 20 0 GFADRO C[C@H]([NH2+]CCOCCS(C)(=O)=O)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000181147204 655332940 /nfs/dbraw/zinc/33/29/40/655332940.db2.gz NZXISMWWDXPTLI-RYUDHWBXSA-N 1 0 384.325 2.800 20 0 GFADRO OC[C@@]1([NH2+]C[C@H](O)c2ccc(F)c(Br)c2)CCOc2ccccc21 ZINC000281611935 655336285 /nfs/dbraw/zinc/33/62/85/655336285.db2.gz GRSLICJHPGCYIW-WMZOPIPTSA-N 1 0 396.256 2.882 20 0 GFADRO COc1ncc([C@H](C)[NH2+]CC2CCN(S(=O)(=O)C(F)F)CC2)cc1Cl ZINC000284266118 655341042 /nfs/dbraw/zinc/34/10/42/655341042.db2.gz JEGRTEKBABWRRT-JTQLQIEISA-N 1 0 397.875 2.659 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)C(=O)NCc1ccc(F)c(Cl)c1)c1cccs1 ZINC000284272274 655341346 /nfs/dbraw/zinc/34/13/46/655341346.db2.gz HETIYTHQJTZJLM-CQSZACIVSA-N 1 0 383.876 2.576 20 0 GFADRO CC(C)[NH+]1CCC(NC(=O)C(=O)NCCSc2ccc(Cl)cc2)CC1 ZINC000284793922 655341788 /nfs/dbraw/zinc/34/17/88/655341788.db2.gz KNKWOQZEWJQNBH-UHFFFAOYSA-N 1 0 383.945 2.537 20 0 GFADRO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)N(C)CCC[NH+](C)C ZINC000181981627 655341823 /nfs/dbraw/zinc/34/18/23/655341823.db2.gz UEBQBTZWGAKZDC-UHFFFAOYSA-N 1 0 381.270 2.888 20 0 GFADRO COc1ccc(O)c(C[NH2+]CCNC(=O)c2cccc(Br)c2)c1 ZINC000182206046 655342895 /nfs/dbraw/zinc/34/28/95/655342895.db2.gz LORXIDSWWVZSSL-UHFFFAOYSA-N 1 0 379.254 2.683 20 0 GFADRO COc1ccc(C(=O)NCc2cccc(C[NH+](C)C)c2)nc1Br ZINC000182665597 655346291 /nfs/dbraw/zinc/34/62/91/655346291.db2.gz CSJFHJRKYBNHRV-UHFFFAOYSA-N 1 0 378.270 2.844 20 0 GFADRO C[NH+](C)[C@H]1CCCN(CN2CC[C@@H](c3cccc(Br)c3)C2=O)C1 ZINC000840004172 661123513 /nfs/dbraw/zinc/12/35/13/661123513.db2.gz QGCAGZSKQAFTOD-IRXDYDNUSA-N 1 0 380.330 2.749 20 0 GFADRO Brc1cccc(-c2c[nH]c(C[NH2+]CCN3CCCOCC3)n2)c1 ZINC000289440484 655349219 /nfs/dbraw/zinc/34/92/19/655349219.db2.gz LWZYIJPSFKHCNV-UHFFFAOYSA-N 1 0 379.302 2.651 20 0 GFADRO O=S(=O)(NC1CCCC1)[C@H]1CCCN(C[C@H](O)c2cccc(Cl)c2)C1 ZINC000183753975 655353422 /nfs/dbraw/zinc/35/34/22/655353422.db2.gz ZNYZFQRGRPHKAD-ROUUACIJSA-N 1 0 386.945 2.700 20 0 GFADRO CC[NH+](CC)[C@H](C)CNc1cnn(-c2ccccn2)c(=O)c1Br ZINC000292818303 655354859 /nfs/dbraw/zinc/35/48/59/655354859.db2.gz PNGOZCPCXXQGDK-GFCCVEGCSA-N 1 0 380.290 2.532 20 0 GFADRO CN(CCN(C)S(=O)(=O)/C=C/c1cccc(Cl)c1)C1CC[NH+](C)CC1 ZINC000184072652 655355042 /nfs/dbraw/zinc/35/50/42/655355042.db2.gz SKJIRQWOVYLEMN-NTEUORMPSA-N 1 0 385.961 2.598 20 0 GFADRO O[C@@H](COc1ccc(Cl)cc1Br)C[N@@H+]1CCC[C@@H](O)CC1 ZINC000292899848 655356547 /nfs/dbraw/zinc/35/65/47/655356547.db2.gz AGRSRIDQMYRTRV-CHWSQXEVSA-N 1 0 378.694 2.689 20 0 GFADRO COCCn1nnc2c1CC[N@H+](C[C@H](C)c1cccc(Br)c1)C2 ZINC000293780154 655361913 /nfs/dbraw/zinc/36/19/13/655361913.db2.gz ZFGLFTUBNWPDCY-ZDUSSCGKSA-N 1 0 379.302 2.849 20 0 GFADRO CN(C[C@@H](O)c1cccc(Br)c1)C(=O)C1CC[NH+](C2CC2)CC1 ZINC000298192456 655372866 /nfs/dbraw/zinc/37/28/66/655372866.db2.gz FMDHPFVOVHIELX-QGZVFWFLSA-N 1 0 381.314 2.815 20 0 GFADRO C[C@H](C[C@@H]1COCCN1C(=O)OC(C)(C)C)[NH2+]C[C@H]1CSCCS1 ZINC000310031947 655379010 /nfs/dbraw/zinc/37/90/10/655379010.db2.gz SGMVJCCCKCQANS-KFWWJZLASA-N 1 0 376.588 2.839 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(S(=O)(=O)c3c(Cl)cccc3Br)C[C@@H]2C1 ZINC000313863618 655380118 /nfs/dbraw/zinc/38/01/18/655380118.db2.gz KAHSYHIYWWFSRJ-MNOVXSKESA-N 1 0 393.734 2.675 20 0 GFADRO CC(C)(Cc1ccc(Br)cc1)NC(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC000188516200 655380284 /nfs/dbraw/zinc/38/02/84/655380284.db2.gz RTAGOSHLTOPQJZ-UHFFFAOYSA-N 1 0 377.286 2.569 20 0 GFADRO COc1c(Br)cc(Cl)cc1S(=O)(=O)NC[C@@H]1CC[C@H]([NH3+])C1 ZINC000314807780 655380641 /nfs/dbraw/zinc/38/06/41/655380641.db2.gz WQHDCZKPBHZEJC-SCZZXKLOSA-N 1 0 397.722 2.517 20 0 GFADRO CC(C)(C)[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])ncc2Br)CC1 ZINC000323579933 655383860 /nfs/dbraw/zinc/38/38/60/655383860.db2.gz ZUHQVEMQCBXVGM-UHFFFAOYSA-N 1 0 385.262 2.745 20 0 GFADRO O=C(NC[C@H]1CCCN(Cc2cccc(F)c2Br)C1)[C@H]1CCC[NH2+]1 ZINC000325233175 655384524 /nfs/dbraw/zinc/38/45/24/655384524.db2.gz FONHCNXMFBPLTE-CZUORRHYSA-N 1 0 398.320 2.668 20 0 GFADRO CC[C@@H]1C[N@H+](C)CCN1Cn1nc(-c2ccc(Br)cc2)nc1C ZINC000840092015 661131589 /nfs/dbraw/zinc/13/15/89/661131589.db2.gz RGNZBBYBFFZMGB-MRXNPFEDSA-N 1 0 378.318 3.000 20 0 GFADRO [NH3+]CCc1ccc(CNS(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)cc1 ZINC000327481396 655386115 /nfs/dbraw/zinc/38/61/15/655386115.db2.gz LXZIFTQEGBROBW-UHFFFAOYSA-N 1 0 390.839 2.921 20 0 GFADRO CC1CC[NH+]([C@H](CN2C(=O)N[C@@]3(CCSC3)C2=O)c2cccs2)CC1 ZINC000349305999 655389181 /nfs/dbraw/zinc/38/91/81/655389181.db2.gz RUKLCICEACSGNC-RDTXWAMCSA-N 1 0 379.551 2.949 20 0 GFADRO C[C@@H](CN1C(=O)CN(Cc2cccc(Br)c2)C1=O)C[NH+]1CCCC1 ZINC000349390633 655389912 /nfs/dbraw/zinc/38/99/12/655389912.db2.gz DZGNPTNHDYPGFF-CQSZACIVSA-N 1 0 394.313 2.945 20 0 GFADRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)Nc1cc(Cl)c(N)c(Cl)c1 ZINC000192314572 655404600 /nfs/dbraw/zinc/40/46/00/655404600.db2.gz UFHZWYNCXPXCTM-SNVBAGLBSA-N 1 0 375.300 2.885 20 0 GFADRO O=C(NC[C@H]1CCC[NH2+]C1)N[C@H](CO)c1ccc(Cl)cc1C(F)(F)F ZINC000418326354 655405484 /nfs/dbraw/zinc/40/54/84/655405484.db2.gz XSVOCBCLUZFONE-IINYFYTJSA-N 1 0 379.810 2.691 20 0 GFADRO C[C@@H](CNC(=O)C(=O)N1CC[C@@]2(CCC[NH2+]2)C1)c1c(Cl)cccc1Cl ZINC000419515793 655406992 /nfs/dbraw/zinc/40/69/92/655406992.db2.gz JRXLOQQSJNIGFB-SGTLLEGYSA-N 1 0 384.307 2.568 20 0 GFADRO O=S(=O)(c1cc(Br)ccc1Cl)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000420471324 655407510 /nfs/dbraw/zinc/40/75/10/655407510.db2.gz AHRSFLNJMUDNRI-ZDUSSCGKSA-N 1 0 379.707 2.619 20 0 GFADRO O=S(=O)(c1ccc(Br)c(Cl)c1)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000420473973 655407542 /nfs/dbraw/zinc/40/75/42/655407542.db2.gz IJSIGUGECNRHNH-ZDUSSCGKSA-N 1 0 379.707 2.619 20 0 GFADRO O=S(=O)(c1cc(Cl)ccc1Br)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000420478638 655407633 /nfs/dbraw/zinc/40/76/33/655407633.db2.gz XOGAZAZFDUDLJR-CYBMUJFWSA-N 1 0 379.707 2.619 20 0 GFADRO CC[NH+](CC)CCCSc1nnc(-c2cncc(Br)c2)n1N ZINC000194538974 655416020 /nfs/dbraw/zinc/41/60/20/655416020.db2.gz AAMNDKJBZKETBM-UHFFFAOYSA-N 1 0 385.335 2.640 20 0 GFADRO CS(=O)(=O)N[C@@H]1CCCC[C@H]1C[NH2+]Cc1c(F)cccc1Br ZINC000512909045 655418220 /nfs/dbraw/zinc/41/82/20/655418220.db2.gz QNKKOTDFIAVCKY-XHDPSFHLSA-N 1 0 393.322 2.786 20 0 GFADRO O=S(=O)(c1cccc(Cl)c1Br)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000517934860 655419382 /nfs/dbraw/zinc/41/93/82/655419382.db2.gz GDVSYQBOGSPKRT-PHIMTYICSA-N 1 0 393.734 2.723 20 0 GFADRO CCS(=O)(=O)N1CCC([NH2+]Cc2cc(Br)c(C)s2)CC1 ZINC000227778262 655422966 /nfs/dbraw/zinc/42/29/66/655422966.db2.gz SKTSMMATLBXOKL-UHFFFAOYSA-N 1 0 381.361 2.723 20 0 GFADRO C[C@@H](C(=O)N(CCn1ccnc1)Cc1ccccc1Br)[C@H](C)[NH3+] ZINC000566067318 655424690 /nfs/dbraw/zinc/42/46/90/655424690.db2.gz VGFDSTVPLHMXCS-KGLIPLIRSA-N 1 0 379.302 2.658 20 0 GFADRO CCCS(=O)(=O)N1CCC([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000236793504 655424874 /nfs/dbraw/zinc/42/48/74/655424874.db2.gz MZYQTXVKQASWLU-UHFFFAOYSA-N 1 0 375.878 2.542 20 0 GFADRO C[NH2+]C1CCN(C(=O)c2c(C)c3cc(Br)ccc3oc2=O)CC1 ZINC000237141355 655425632 /nfs/dbraw/zinc/42/56/32/655425632.db2.gz BSSVUWGDYJCSQI-UHFFFAOYSA-N 1 0 379.254 2.688 20 0 GFADRO CN1CC[NH2+]C[C@H]1CNC(=O)Cc1csc(-c2ccc(Cl)cc2Cl)n1 ZINC000574159744 655425852 /nfs/dbraw/zinc/42/58/52/655425852.db2.gz QMDQORPWRGIPAQ-ZDUSSCGKSA-N 1 0 399.347 2.679 20 0 GFADRO CN(C(=O)[C@H]1CC(=O)N(c2cccc(Br)c2)C1)C1CCC([NH3+])CC1 ZINC000237225713 655425918 /nfs/dbraw/zinc/42/59/18/655425918.db2.gz IRRDSGBBHBVUSA-GRTSSRMGSA-N 1 0 394.313 2.530 20 0 GFADRO Cc1cc(NC(=O)CNC(=O)C[C@@H](C)C2CC[NH2+]CC2)ccc1Br ZINC000237602832 655426384 /nfs/dbraw/zinc/42/63/84/655426384.db2.gz YEEBUQPTEXRRLH-GFCCVEGCSA-N 1 0 396.329 2.838 20 0 GFADRO CSc1ccc(OC[C@H](O)C[NH2+]CCN2CCc3sccc3C2)cc1 ZINC000574257951 655427499 /nfs/dbraw/zinc/42/74/99/655427499.db2.gz JYDSDBDZOKUYKL-MRXNPFEDSA-N 1 0 378.563 2.858 20 0 GFADRO CS(=O)(=O)NCC[C@H]1CCCC[N@@H+]1C[C@@H](O)c1ccc(Cl)cc1Cl ZINC000245610223 655428051 /nfs/dbraw/zinc/42/80/51/655428051.db2.gz BHBKBLIMKUWQSP-CZUORRHYSA-N 1 0 395.352 2.821 20 0 GFADRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2Cn2nc(Br)c(=O)c3ccccc32)C1 ZINC000245746076 655428450 /nfs/dbraw/zinc/42/84/50/655428450.db2.gz WLABRAFIFFDADZ-ZFWWWQNUSA-N 1 0 391.313 2.533 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(S(=O)(=O)CC)ccc2Cl)[C@@H](C)C1 ZINC000247342733 655431594 /nfs/dbraw/zinc/43/15/94/655431594.db2.gz JGPQDRYLHFWPMJ-SUMWQHHRSA-N 1 0 386.945 2.936 20 0 GFADRO C[C@H](O)C[N@@H+]1CCN(C(=O)CCSc2nc3ccccc3s2)[C@@H](C)C1 ZINC000248830227 655433511 /nfs/dbraw/zinc/43/35/11/655433511.db2.gz DWRDTUTUHKSULU-KBPBESRZSA-N 1 0 379.551 2.692 20 0 GFADRO C[C@@](CO)([NH2+]Cc1cc(=O)n2cc(Br)ccc2n1)C1CCCCC1 ZINC000574956769 655433738 /nfs/dbraw/zinc/43/37/38/655433738.db2.gz XKEWSHNGOPWBFD-SFHVURJKSA-N 1 0 394.313 2.878 20 0 GFADRO C[C@](CO)([NH2+]Cc1cc(=O)n2cc(Br)ccc2n1)C1CCCCC1 ZINC000574956768 655433785 /nfs/dbraw/zinc/43/37/85/655433785.db2.gz XKEWSHNGOPWBFD-GOSISDBHSA-N 1 0 394.313 2.878 20 0 GFADRO C[N@@H+]1CCC[C@H]2CN(Cc3cn(-c4ccccc4Br)nn3)CC[C@@H]21 ZINC000575034834 655434454 /nfs/dbraw/zinc/43/44/54/655434454.db2.gz DKFJPNQMGOQCQE-YOEHRIQHSA-N 1 0 390.329 2.946 20 0 GFADRO C[C@@H](CCC[NH3+])NS(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCCCO1 ZINC000575059366 655434855 /nfs/dbraw/zinc/43/48/55/655434855.db2.gz RQEKEJSCTDJHOK-DZGCQCFKSA-N 1 0 390.933 2.694 20 0 GFADRO C[C@H](C[C@H]1COCCN1)[NH2+][C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O ZINC000575172924 655436687 /nfs/dbraw/zinc/43/66/87/655436687.db2.gz XLANGJDGKOINJT-IVMMDQJWSA-N 1 0 386.323 2.845 20 0 GFADRO C[C@@H]1CC[N@H+](CCNS(=O)(=O)c2cccc(Br)c2Cl)C1 ZINC000575887929 655439442 /nfs/dbraw/zinc/43/94/42/655439442.db2.gz SQKANCBBPUGDSM-SNVBAGLBSA-N 1 0 381.723 2.723 20 0 GFADRO C[C@@H]1CC[NH2+][C@@H](C)[C@H]1NC(=O)c1c(F)cccc1I ZINC000575981011 655441363 /nfs/dbraw/zinc/44/13/63/655441363.db2.gz SCNBQTPNJKTFIB-ZDMBXUJBSA-N 1 0 376.213 2.547 20 0 GFADRO [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)C[C@@H]1Sc2ccc(Cl)cc2NC1=O ZINC000575987397 655441698 /nfs/dbraw/zinc/44/16/98/655441698.db2.gz TUTSJEXIEKENHQ-SGOJORAYSA-N 1 0 379.913 2.775 20 0 GFADRO CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)C[C@@H](O)C[N@H+](C)CC ZINC000575999938 655441985 /nfs/dbraw/zinc/44/19/85/655441985.db2.gz PZJLJKWRPFIPAW-AWEZNQCLSA-N 1 0 376.328 2.957 20 0 GFADRO [NH3+]CCC(=O)NC[C@H]1CCCCN1Cc1ccc(Cl)cc1Br ZINC000261964604 655443252 /nfs/dbraw/zinc/44/32/52/655443252.db2.gz HQSUIZKIMUJPGB-CQSZACIVSA-N 1 0 388.737 2.922 20 0 GFADRO O=C1[C@H]([NH2+]Cc2cnn(-c3ccc(Br)cc3)c2)C[C@H]2CCCCN12 ZINC000576110819 655443663 /nfs/dbraw/zinc/44/36/63/655443663.db2.gz OCAMJVNEFINYDY-IAGOWNOFSA-N 1 0 389.297 2.878 20 0 GFADRO Cc1csc(C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c1I ZINC000576148128 655444367 /nfs/dbraw/zinc/44/43/67/655444367.db2.gz HJZDSHVEYBICHH-AXFHLTTASA-N 1 0 390.290 2.861 20 0 GFADRO Cc1csc(C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c1I ZINC000576148129 655444411 /nfs/dbraw/zinc/44/44/11/655444411.db2.gz HJZDSHVEYBICHH-DCAQKATOSA-N 1 0 390.290 2.861 20 0 GFADRO CCCCOC[C@@H](O)C[NH2+][C@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000576150800 655444516 /nfs/dbraw/zinc/44/45/16/655444516.db2.gz YVKULPLSDDJWGW-ZFWWWQNUSA-N 1 0 375.296 2.866 20 0 GFADRO CC(C)[N@@H+]1CC[C@@H](N(C)Cn2c(=O)oc3cc(F)c(Br)cc32)C1 ZINC000840155263 661141913 /nfs/dbraw/zinc/14/19/13/661141913.db2.gz VYLINWFBYNXGLR-LLVKDONJSA-N 1 0 386.265 2.868 20 0 GFADRO OC[C@H](Cc1ccc(F)cc1)[NH2+]C[C@H](O)COc1ccc(Br)cc1 ZINC000576518235 655448372 /nfs/dbraw/zinc/44/83/72/655448372.db2.gz WOSGPWDDTMYRGI-IRXDYDNUSA-N 1 0 398.272 2.521 20 0 GFADRO CCc1cc(Br)cc2sc(NC(=O)C[C@@H]3C[NH2+]CCO3)nc21 ZINC000576581374 655449409 /nfs/dbraw/zinc/44/94/09/655449409.db2.gz IEISLEQDYQSLDE-LLVKDONJSA-N 1 0 384.299 2.938 20 0 GFADRO CCc1nc(C)c(C[NH2+]C[C@@H](O)COc2cc(F)cc(Br)c2)o1 ZINC000576629756 655449991 /nfs/dbraw/zinc/44/99/91/655449991.db2.gz FJDHCUAPVOMBJC-CYBMUJFWSA-N 1 0 387.249 2.977 20 0 GFADRO O=C(N[C@@H]1CCc2c1ccc(Cl)c2Cl)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000576695692 655451013 /nfs/dbraw/zinc/45/10/13/655451013.db2.gz YQZRMEJSECGXIG-IINYFYTJSA-N 1 0 380.279 2.927 20 0 GFADRO CC(C)OC[C@@H](O)C[NH2+]CC1(c2ccc(Br)cc2)CCOCC1 ZINC000576862524 655453375 /nfs/dbraw/zinc/45/33/75/655453375.db2.gz DMUORANZEBGNPH-KRWDZBQOSA-N 1 0 386.330 2.873 20 0 GFADRO CC[C@H]1[NH2+]CC[C@H]1C(=O)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000576870438 655453491 /nfs/dbraw/zinc/45/34/91/655453491.db2.gz XFDWFFKHHPRXLN-GDBMZVCRSA-N 1 0 384.307 2.666 20 0 GFADRO Cc1ccc(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)cc1I ZINC000263963215 655455064 /nfs/dbraw/zinc/45/50/64/655455064.db2.gz QQDAEGKAHBRTOY-GFCCVEGCSA-N 1 0 384.261 2.814 20 0 GFADRO COCC(COC)[NH+]1CCN(Cn2c3cc(Cl)ccc3oc2=S)CC1 ZINC000840171895 661143410 /nfs/dbraw/zinc/14/34/10/661143410.db2.gz QXGQYNGUWKEUSN-UHFFFAOYSA-N 1 0 385.917 2.854 20 0 GFADRO C[N@H+](CCCO)C1CCN(c2ncc3scc(Br)c3n2)CC1 ZINC000577412370 655458928 /nfs/dbraw/zinc/45/89/28/655458928.db2.gz OYBKWMYWGICPMJ-UHFFFAOYSA-N 1 0 385.331 2.737 20 0 GFADRO [NH3+]C[C@@H](NC(=O)c1ccc(-n2cc(Br)cn2)cc1)C1CCCC1 ZINC000577483214 655460742 /nfs/dbraw/zinc/46/07/42/655460742.db2.gz WEVVCHNTIJCMMN-MRXNPFEDSA-N 1 0 377.286 2.882 20 0 GFADRO COCC[N@@H+]1CC[C@H](NC(=O)CCCc2ccc(Br)s2)C1 ZINC000264458148 655464226 /nfs/dbraw/zinc/46/42/26/655464226.db2.gz DPJHUADIUBIRNK-LBPRGKRZSA-N 1 0 375.332 2.670 20 0 GFADRO [NH3+][C@H]1CCO[C@@H](C2CCN(CC(=O)Nc3ccccc3Br)CC2)C1 ZINC000577714996 655465505 /nfs/dbraw/zinc/46/55/05/655465505.db2.gz UKHIKFOLAPGSIC-WMLDXEAASA-N 1 0 396.329 2.606 20 0 GFADRO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)c2cccc(Br)c2)CC1 ZINC000264528577 655465596 /nfs/dbraw/zinc/46/55/96/655465596.db2.gz NVNRFSCLYNEECJ-QGZVFWFLSA-N 1 0 380.330 2.691 20 0 GFADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)[C@H]1C[C@@H]1c1cccc(Cl)c1Cl ZINC000264723642 655469128 /nfs/dbraw/zinc/46/91/28/655469128.db2.gz GVQYMFIOGFXWIQ-IPYPFGDCSA-N 1 0 384.307 2.553 20 0 GFADRO CC(C)N(Cc1cccc(Br)c1)C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000264795440 655470736 /nfs/dbraw/zinc/47/07/36/655470736.db2.gz SKJLTIBPXLWBMN-KRWDZBQOSA-N 1 0 397.361 2.615 20 0 GFADRO Cc1sc2nc(CS[C@@H](C)C(=O)N[C@@H](C)CCC[NH3+])[nH]c(=O)c2c1C ZINC000578011854 655471147 /nfs/dbraw/zinc/47/11/47/655471147.db2.gz CJDONVFHIUIZGA-CABZTGNLSA-N 1 0 382.555 2.879 20 0 GFADRO CC[N@@H+]1CCCC[C@H]1CNC(=O)N(C)C[C@H](O)c1cccc(Br)c1 ZINC000840294269 661151859 /nfs/dbraw/zinc/15/18/59/661151859.db2.gz NCOKEOAWRTYHKJ-IRXDYDNUSA-N 1 0 398.345 2.998 20 0 GFADRO CN(C)CC[N@H+](C)CCCN(C)C(=O)Nc1ccc(Br)cc1F ZINC000578096039 655472517 /nfs/dbraw/zinc/47/25/17/655472517.db2.gz RYCKZSFTCVBHCU-UHFFFAOYSA-N 1 0 389.313 2.935 20 0 GFADRO CC[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)NCCC[NH2+]C(C)C ZINC000578122543 655472936 /nfs/dbraw/zinc/47/29/36/655472936.db2.gz CUNCPQFQKUKLQZ-HNNXBMFYSA-N 1 0 388.339 2.935 20 0 GFADRO CNc1cc(I)ccc1C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000578246405 655475042 /nfs/dbraw/zinc/47/50/42/655475042.db2.gz PWSWPCKJZCUEQC-HIFRSBDPSA-N 1 0 399.276 2.690 20 0 GFADRO C[C@@H](NC(=O)N1CC[N@@H+]([C@H]2C[C@@H]2C)C[C@H](C)C1)c1ncc(Br)cn1 ZINC000578320585 655476567 /nfs/dbraw/zinc/47/65/67/655476567.db2.gz HDBVKNGIVQDNTC-XPCVCDNBSA-N 1 0 396.333 2.672 20 0 GFADRO O=S(=O)(Cc1ccccc1C(F)(F)F)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000578322929 655476716 /nfs/dbraw/zinc/47/67/16/655476716.db2.gz SNNVBZBYBXZDEX-KBPBESRZSA-N 1 0 376.444 2.857 20 0 GFADRO O=S(=O)(Cc1cccc(C(F)(F)F)c1)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000578323013 655476746 /nfs/dbraw/zinc/47/67/46/655476746.db2.gz WZJFJOHGGVZFNI-CABCVRRESA-N 1 0 376.444 2.857 20 0 GFADRO O[C@H](Cc1ccc(F)cc1)C[NH+]1CCN(c2ccc(Br)cn2)CC1 ZINC000578331551 655476977 /nfs/dbraw/zinc/47/69/77/655476977.db2.gz BAIUJTJBQQVXPV-QGZVFWFLSA-N 1 0 394.288 2.709 20 0 GFADRO CCCOc1c(Br)cc(C[NH2+]C2(CO)CCOCC2)cc1OC ZINC000265245022 655479603 /nfs/dbraw/zinc/47/96/03/655479603.db2.gz MTZJRCUIHWHLJJ-UHFFFAOYSA-N 1 0 388.302 2.878 20 0 GFADRO CC[C@@H]1C[N@H+](C)CCN1C[C@H](O)COc1ccc(Cl)cc1Br ZINC000578525090 655481132 /nfs/dbraw/zinc/48/11/32/655481132.db2.gz VBVACSFQGGFZGO-KGLIPLIRSA-N 1 0 391.737 2.868 20 0 GFADRO CN(CCC[NH+](C)C)C(=O)[C@@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000578574797 655482029 /nfs/dbraw/zinc/48/20/29/655482029.db2.gz KSKQRJZLGRLRJT-DYVFJYSZSA-N 1 0 386.323 2.923 20 0 GFADRO CC[N@H+](CCNC(=O)C(=O)Nc1ccc2nc(SC)sc2c1)C1CC1 ZINC000265395978 655482699 /nfs/dbraw/zinc/48/26/99/655482699.db2.gz QQORZALQTLNFLS-UHFFFAOYSA-N 1 0 378.523 2.557 20 0 GFADRO CCc1ccc(-c2csc(NC(=O)C(=O)N[C@@H](C)CC[NH+](C)C)n2)s1 ZINC000578633183 655483491 /nfs/dbraw/zinc/48/34/91/655483491.db2.gz FXCQOWBNDNOVQB-NSHDSACASA-N 1 0 380.539 2.829 20 0 GFADRO O=C(C[C@@H]1CCC[NH2+]C1)Nc1cc(-c2cc(F)cc(Br)c2)[nH]n1 ZINC000578669005 655484231 /nfs/dbraw/zinc/48/42/31/655484231.db2.gz XLEMTBSQVLZVDA-JTQLQIEISA-N 1 0 381.249 3.307 20 0 GFADRO O=S(=O)(CC[NH2+]C[C@@H](O)C1CCCCC1)c1cccc(Br)c1 ZINC000579239795 655496506 /nfs/dbraw/zinc/49/65/06/655496506.db2.gz MFKTZTOCNUCDFK-MRXNPFEDSA-N 1 0 390.343 2.754 20 0 GFADRO CCC[N@H+](CC)C[C@@H](C)NS(=O)(=O)Cc1cccc(Br)c1 ZINC000579294627 655497189 /nfs/dbraw/zinc/49/71/89/655497189.db2.gz UKRAVIBPYLTRQU-CYBMUJFWSA-N 1 0 377.348 2.989 20 0 GFADRO C[C@@H](CNC(=O)c1conc1C(C)(C)[NH3+])Oc1cccc(Br)c1 ZINC000579376516 655498587 /nfs/dbraw/zinc/49/85/87/655498587.db2.gz UNDBZXYTBYRVMC-JTQLQIEISA-N 1 0 382.258 2.828 20 0 GFADRO CS(=O)(=O)c1cc(NC(=O)NC2CC([NH+]3CCCCC3)C2)ccc1Cl ZINC000579482487 655500215 /nfs/dbraw/zinc/50/02/15/655500215.db2.gz VIONSGWCVGINDL-UHFFFAOYSA-N 1 0 385.917 2.882 20 0 GFADRO C[C@@H](CNC(=O)N(C)C[C@H](O)c1cccc(Br)c1)C[NH+]1CCCC1 ZINC000840259030 661150734 /nfs/dbraw/zinc/15/07/34/661150734.db2.gz BEDIIXQQRPTFJY-YOEHRIQHSA-N 1 0 398.345 2.856 20 0 GFADRO [NH3+]C[C@H]1CC[C@H](CNS(=O)(=O)c2ccc(OCC(F)(F)F)cc2)CC1 ZINC000579711493 655502807 /nfs/dbraw/zinc/50/28/07/655502807.db2.gz FAWINYUPUQHSNX-JOCQHMNTSA-N 1 0 380.432 2.671 20 0 GFADRO [NH3+]C1CCC(OCC(=O)Nc2cnn(-c3ccccc3Br)c2)CC1 ZINC000579830385 655504381 /nfs/dbraw/zinc/50/43/81/655504381.db2.gz ZXQPQUFVEYTGLR-UHFFFAOYSA-N 1 0 393.285 2.860 20 0 GFADRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(Cc2cc(Cl)cc(S(N)(=O)=O)c2)C1 ZINC000579839429 655504676 /nfs/dbraw/zinc/50/46/76/655504676.db2.gz WYOHVDHUIPZHEU-VBQJREDUSA-N 1 0 385.961 2.825 20 0 GFADRO [NH3+]CC12CCC(CC1)CN2S(=O)(=O)c1cccc(Cl)c1Br ZINC000579858979 655505098 /nfs/dbraw/zinc/50/50/98/655505098.db2.gz CTNMKLNBUCXILO-UHFFFAOYSA-N 1 0 393.734 2.995 20 0 GFADRO [NH3+]C[C@H]1CCCN(C(=O)C(=O)Nc2cccc(Cl)c2SCC(F)F)C1 ZINC000579931980 655505712 /nfs/dbraw/zinc/50/57/12/655505712.db2.gz CZXVZRBPWIRTKU-SNVBAGLBSA-N 1 0 391.871 2.833 20 0 GFADRO C[C@H]([NH2+]C[C@@H]1CCCCN1S(=O)(=O)N(C)C)c1ccc(F)c(Cl)c1 ZINC000579998129 655506445 /nfs/dbraw/zinc/50/64/45/655506445.db2.gz NPMMZKZXZRIJGG-JSGCOSHPSA-N 1 0 377.913 2.791 20 0 GFADRO CC[C@@H]1C[N@H+](C)CCN1CC(=O)Nc1c(F)cc(F)cc1Br ZINC000580030246 655507036 /nfs/dbraw/zinc/50/70/36/655507036.db2.gz QSCXOPFEJKBQAA-LLVKDONJSA-N 1 0 376.245 2.692 20 0 GFADRO C[C@H]([NH2+]C1CC1)C(=O)N[C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000580071238 655507933 /nfs/dbraw/zinc/50/79/33/655507933.db2.gz MPPUJKRNKPOOKS-CABZTGNLSA-N 1 0 376.810 2.589 20 0 GFADRO Cn1cc(C[NH2+][C@@](C)(CNC(=O)OC(C)(C)C)C2CC2)c(Br)n1 ZINC000712458812 655522665 /nfs/dbraw/zinc/52/26/65/655522665.db2.gz IUFPAUQLPPJEND-INIZCTEOSA-N 1 0 387.322 2.966 20 0 GFADRO Cn1cc(C[NH2+]CCC(C)(C)NC(=O)OC(C)(C)C)c(Br)n1 ZINC000712409970 655522668 /nfs/dbraw/zinc/52/26/68/655522668.db2.gz XTJWOJDTDIIWMC-UHFFFAOYSA-N 1 0 375.311 2.966 20 0 GFADRO O=C(NC12CC[NH+](CC1)C2)c1cc(Br)sc1Br ZINC000715499691 655522935 /nfs/dbraw/zinc/52/29/35/655522935.db2.gz AULVPNWGYBOENY-UHFFFAOYSA-N 1 0 380.105 2.851 20 0 GFADRO C[C@@H](NC(=O)c1ccc(F)cc1I)C1CC[NH2+]CC1 ZINC000716612998 655523717 /nfs/dbraw/zinc/52/37/17/655523717.db2.gz ZOBOXXPZHQLYOH-SECBINFHSA-N 1 0 376.213 2.548 20 0 GFADRO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(F)cc1I ZINC000718886730 655524240 /nfs/dbraw/zinc/52/42/40/655524240.db2.gz AIGHZFMIUZPCSE-NWDGAFQWSA-N 1 0 388.224 2.739 20 0 GFADRO Brc1ccccc1-c1nnc(C[N@@H+]2CC[C@@H](C3OCCO3)C2)o1 ZINC000719058148 655524257 /nfs/dbraw/zinc/52/42/57/655524257.db2.gz MLNKWQPNGNFIHV-LLVKDONJSA-N 1 0 380.242 2.694 20 0 GFADRO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)c1csc(I)c1 ZINC000720814082 655524659 /nfs/dbraw/zinc/52/46/59/655524659.db2.gz BASIBTFRDBLKAB-QWRGUYRKSA-N 1 0 376.263 2.661 20 0 GFADRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(c2ncnc3c2c(Br)nn3C)C1 ZINC000728051046 655551965 /nfs/dbraw/zinc/55/19/65/655551965.db2.gz YRUIQBKBXQAOFI-JHJVBQTASA-N 1 0 393.333 2.967 20 0 GFADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1c[nH]c2ccc(Br)cc12 ZINC000728210518 655553881 /nfs/dbraw/zinc/55/38/81/655553881.db2.gz ICIVVVIHRQRQCK-OLZOCXBDSA-N 1 0 378.270 2.523 20 0 GFADRO Cc1n[nH]c(C(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)c1Br ZINC000728556947 655556226 /nfs/dbraw/zinc/55/62/26/655556226.db2.gz ZMZQSDCMSXUAJJ-HNNXBMFYSA-N 1 0 391.313 2.775 20 0 GFADRO CN(C)C(=O)c1cccc(C[NH2+]C[C@@H](O)c2ccc(Br)cc2)c1 ZINC000728943791 655560551 /nfs/dbraw/zinc/56/05/51/655560551.db2.gz YWBCIEJOIKLHEG-QGZVFWFLSA-N 1 0 377.282 2.974 20 0 GFADRO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]C[C@@H]1Cc2ccccc21 ZINC000729680963 655566743 /nfs/dbraw/zinc/56/67/43/655566743.db2.gz JQSQVNFHPNTDMK-GJZGRUSLSA-N 1 0 379.913 2.634 20 0 GFADRO COCC[N@@H+]1CCC[C@@H](NC(=O)c2cc3c(cccc3Br)[nH]2)C1 ZINC000729979737 655570701 /nfs/dbraw/zinc/57/07/01/655570701.db2.gz IADFUYRKCCHWQC-GFCCVEGCSA-N 1 0 380.286 2.771 20 0 GFADRO O=S(=O)(c1c(Cl)nc2sccn21)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000730814316 655578537 /nfs/dbraw/zinc/57/85/37/655578537.db2.gz KQMUJCPREZNIBK-GFCCVEGCSA-N 1 0 388.946 2.688 20 0 GFADRO CCCC[N@H+](C)CCNC(=O)/C=C/c1ccc(I)o1 ZINC000732773235 655601488 /nfs/dbraw/zinc/60/14/88/655601488.db2.gz LIRVEEWZCQEPIG-SOFGYWHQSA-N 1 0 376.238 2.746 20 0 GFADRO C[NH+]1CCC(N2CC[C@@H](NC(=O)c3sccc3SC(F)F)C2)CC1 ZINC000732782729 655601622 /nfs/dbraw/zinc/60/16/22/655601622.db2.gz YYUFGYNRZJMQKW-LLVKDONJSA-N 1 0 375.510 2.961 20 0 GFADRO CCCC[N@H+](C)CCNS(=O)(=O)c1cc(Br)cnc1Cl ZINC000732816503 655603045 /nfs/dbraw/zinc/60/30/45/655603045.db2.gz ZCLNJAISKWYHKI-UHFFFAOYSA-N 1 0 384.727 2.508 20 0 GFADRO CC[NH+](CC)CCCCNC(=O)c1cn(-c2ccccc2Br)nn1 ZINC000733160210 655608578 /nfs/dbraw/zinc/60/85/78/655608578.db2.gz BVGCHTGPJDPAAV-UHFFFAOYSA-N 1 0 394.317 2.882 20 0 GFADRO C[N@@H+]1CCCN(CCCNC(=O)c2cc3ccc(Br)cc3[nH]2)CC1 ZINC000733882419 655622611 /nfs/dbraw/zinc/62/26/11/655622611.db2.gz LHZXPAWROHFKSM-UHFFFAOYSA-N 1 0 393.329 2.688 20 0 GFADRO CC(C)C[C@H](CNC(=O)c1cn(-c2ccccc2Br)nn1)[NH+](C)C ZINC000733973823 655624774 /nfs/dbraw/zinc/62/47/74/655624774.db2.gz XVGFSPYEDDWIAV-CYBMUJFWSA-N 1 0 394.317 2.736 20 0 GFADRO CC[C@H](NC(=S)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)c1cccs1 ZINC000734375334 655630098 /nfs/dbraw/zinc/63/00/98/655630098.db2.gz CLJCYKSFVAAFMB-GJZGRUSLSA-N 1 0 382.599 2.606 20 0 GFADRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)c3sccc3SC(F)F)CC2)C1 ZINC000734454638 655630967 /nfs/dbraw/zinc/63/09/67/655630967.db2.gz ZEKAIABFAUKFST-GFCCVEGCSA-N 1 0 375.510 2.915 20 0 GFADRO COc1ccc2nc(Cl)ccc2c1S(=O)(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000734843476 655635223 /nfs/dbraw/zinc/63/52/23/655635223.db2.gz LCPOKAHPDHZVMQ-LBPRGKRZSA-N 1 0 383.901 2.612 20 0 GFADRO O=C(NCCO)C1CC[NH+](CC/C=C/c2ccc(Br)cc2)CC1 ZINC000735308625 655644588 /nfs/dbraw/zinc/64/45/88/655644588.db2.gz LTFUHQRXYSMRLB-HNQUOIGGSA-N 1 0 381.314 2.673 20 0 GFADRO CCC[N@H+](Cn1cc(I)cn1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000740859905 655699835 /nfs/dbraw/zinc/69/98/35/655699835.db2.gz VTRRUGMDWRPVRV-BFHYXJOUSA-N 1 0 389.281 2.971 20 0 GFADRO C[NH+]1CCC2(CCN2C(=O)C[C@H]2Sc3ccc(Cl)cc3NC2=O)CC1 ZINC000742185985 655711555 /nfs/dbraw/zinc/71/15/55/655711555.db2.gz ONWHCLMBJDCYLP-OAHLLOKOSA-N 1 0 379.913 2.840 20 0 GFADRO O=S(=O)(c1c(Cl)nc2sccn21)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000742317814 655715514 /nfs/dbraw/zinc/71/55/14/655715514.db2.gz AYCWAEGUUDKHBB-GFCCVEGCSA-N 1 0 388.946 2.546 20 0 GFADRO C[NH+](C)C[C@@H]1CCCCN1C(=O)COc1ccc(C=O)cc1Br ZINC000742633496 655719799 /nfs/dbraw/zinc/71/97/99/655719799.db2.gz NSSZRHRQTQSBFX-AWEZNQCLSA-N 1 0 383.286 2.583 20 0 GFADRO COc1ccc(Cl)c(NC(=S)NCC2CC[NH+](CCN(C)C)CC2)c1 ZINC000742991854 655724161 /nfs/dbraw/zinc/72/41/61/655724161.db2.gz FOUHFKZTEHVGGU-UHFFFAOYSA-N 1 0 384.977 2.909 20 0 GFADRO CC(C)[C@H](C[NH+](C)C)NC(=O)CNC(=O)c1sc2ccccc2c1Cl ZINC000743587894 655730092 /nfs/dbraw/zinc/73/00/92/655730092.db2.gz UAKIBNMERJVAOF-ZDUSSCGKSA-N 1 0 381.929 2.987 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2cccc(C3SCCS3)c2)CC[N@@H+]1C ZINC000743932910 655732893 /nfs/dbraw/zinc/73/28/93/655732893.db2.gz YKMISDYUQIIFNV-DOMZBBRYSA-N 1 0 379.551 2.703 20 0 GFADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)C1(c2ccc(Br)cc2)CCC1 ZINC000747231072 655774593 /nfs/dbraw/zinc/77/45/93/655774593.db2.gz FJOGISBQOFQABB-IAGOWNOFSA-N 1 0 393.325 2.850 20 0 GFADRO Cc1nc(-c2cccs2)c(CC(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)s1 ZINC000747236870 655774895 /nfs/dbraw/zinc/77/48/95/655774895.db2.gz QTYZMRZGSKZAKT-KGLIPLIRSA-N 1 0 377.535 2.702 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CNC(=S)NCc1c(Cl)cccc1-n1ccnc1 ZINC000840766581 661185427 /nfs/dbraw/zinc/18/54/27/661185427.db2.gz CEHRQXPHWOOXGI-AWEZNQCLSA-N 1 0 377.945 2.974 20 0 GFADRO CCN(C[C@@H]1CCN(C(=S)NCC(C)(C)C[NH+](C)C)C1)CC(F)(F)F ZINC000748084713 655787250 /nfs/dbraw/zinc/78/72/50/655787250.db2.gz KQRBDZNSKWLBEW-AWEZNQCLSA-N 1 0 382.540 2.655 20 0 GFADRO C[NH+](C)[C@@]1(CNC(=O)c2ccsc2NC(=O)c2ccco2)CCSC1 ZINC000748565333 655792088 /nfs/dbraw/zinc/79/20/88/655792088.db2.gz QZUORGKGYIJYKK-QGZVFWFLSA-N 1 0 379.507 2.761 20 0 GFADRO C[NH+](C)[C@]1(CNC(=S)NCc2ccc(Br)cc2)CCSC1 ZINC000748600111 655792720 /nfs/dbraw/zinc/79/27/20/655792720.db2.gz BKFDPENQSBTYLG-HNNXBMFYSA-N 1 0 388.400 2.851 20 0 GFADRO C[NH+](C)[C@@]1(CNC(=O)NC[C@@H](O)c2c(Cl)cccc2Cl)CCSC1 ZINC000748645474 655793154 /nfs/dbraw/zinc/79/31/54/655793154.db2.gz AJIDMGVFCFNXTM-CZUORRHYSA-N 1 0 392.352 2.763 20 0 GFADRO C[N@H+](C[C@H](O)COCc1ccccc1Cl)[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000749351750 655803472 /nfs/dbraw/zinc/80/34/72/655803472.db2.gz NBDWOPQNMVRABO-JQHSSLGASA-N 1 0 389.945 2.505 20 0 GFADRO CSCCNC(=S)C(C(=O)c1ccc(C)cc1)[n+]1cccc(CO)c1 ZINC000751541746 655830641 /nfs/dbraw/zinc/83/06/41/655830641.db2.gz BBDQGAYOBBKLOV-UHFFFAOYSA-O 1 0 375.539 2.939 20 0 GFADRO C[C@@H]1CN(C(C)(C)C[NH2+]C[C@H](O)c2ccccc2Br)C[C@@H](C)O1 ZINC000751570172 655831008 /nfs/dbraw/zinc/83/10/08/655831008.db2.gz MAJUGXPFSQHANO-CPUCHLNUSA-N 1 0 385.346 2.960 20 0 GFADRO COc1cc(C[C@@H](CO)C[NH2+]Cc2c(Cl)nc(Cl)n2C)cc(OC)c1 ZINC000752264162 655841864 /nfs/dbraw/zinc/84/18/64/655841864.db2.gz BMJIKCOFLXNUQE-GFCCVEGCSA-N 1 0 388.295 2.685 20 0 GFADRO CCOC(=O)c1cc(C)sc1NC(=O)C[NH2+][C@@H](CCO)c1cccs1 ZINC000754396587 655867333 /nfs/dbraw/zinc/86/73/33/655867333.db2.gz UBGDZPNDIGXLAY-ZDUSSCGKSA-N 1 0 382.507 2.947 20 0 GFADRO Cc1cc(Br)ncc1NC(=O)N(CC[NH+](C)C)C[C@H]1CCCO1 ZINC000754458016 655868202 /nfs/dbraw/zinc/86/82/02/655868202.db2.gz BBXYJIFRYFHPSP-CYBMUJFWSA-N 1 0 385.306 2.727 20 0 GFADRO Cc1cc(Br)ncc1NC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000754460246 655868306 /nfs/dbraw/zinc/86/83/06/655868306.db2.gz RXOSCMXHDPQRNP-CYBMUJFWSA-N 1 0 397.317 2.775 20 0 GFADRO COC(=O)C[C@H]([NH2+]CC(=O)Nc1ccc(Br)cc1Cl)C1CC1 ZINC000754519887 655869132 /nfs/dbraw/zinc/86/91/32/655869132.db2.gz PVBKZYMZEJPYDK-ZDUSSCGKSA-N 1 0 389.677 2.972 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CNC(=S)NNc1cc(F)ccc1Br ZINC000840864601 661196660 /nfs/dbraw/zinc/19/66/60/661196660.db2.gz WJWXVHPWFGCDHL-NSHDSACASA-N 1 0 375.311 2.864 20 0 GFADRO CS(=O)(=O)N1CCC[C@H](C[N@@H+]2CCC[C@@H]2COc2ccc(Cl)cc2)C1 ZINC000754638075 655870663 /nfs/dbraw/zinc/87/06/63/655870663.db2.gz IPZAKNHYECZVNI-NVXWUHKLSA-N 1 0 386.945 2.855 20 0 GFADRO Cc1ccc([C@@H](C)[NH2+]CC(=O)N(C2CCCC2)[C@@H]2CCS(=O)(=O)C2)s1 ZINC000754670853 655871087 /nfs/dbraw/zinc/87/10/87/655871087.db2.gz OXUIZJPLWZOVFG-GDBMZVCRSA-N 1 0 384.567 2.665 20 0 GFADRO CC(C)(C)OC(=O)NC[C@H]1CCCC[C@H]1[NH2+]CCC(C)(C)S(C)(=O)=O ZINC000840876120 661197506 /nfs/dbraw/zinc/19/75/06/661197506.db2.gz LBFCNFOCBWFOKF-HUUCEWRRSA-N 1 0 376.563 2.873 20 0 GFADRO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000755235705 655881408 /nfs/dbraw/zinc/88/14/08/655881408.db2.gz XZPYMZGEKSOLOO-GFCCVEGCSA-N 1 0 391.265 2.830 20 0 GFADRO Cc1ccc(N2N=C(Br)C[C@H]2C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000756097304 655894741 /nfs/dbraw/zinc/89/47/41/655894741.db2.gz KLRSBLWFSUXUIO-CJNGLKHVSA-N 1 0 391.313 2.635 20 0 GFADRO COC(=O)c1cc(S(=O)(=O)NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)ccc1Cl ZINC000757488538 655912372 /nfs/dbraw/zinc/91/23/72/655912372.db2.gz YHGNEELYXMBROM-QWHCGFSZSA-N 1 0 388.917 2.525 20 0 GFADRO COC(=O)c1cc(S(=O)(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)ccc1Cl ZINC000757495084 655912702 /nfs/dbraw/zinc/91/27/02/655912702.db2.gz KMMZESWEOBWGIV-OAHLLOKOSA-N 1 0 390.933 2.771 20 0 GFADRO CCCCn1nc(C)c(C[NH2+]CC2CCN(S(=O)(=O)CC)CC2)c1Cl ZINC000758058430 655922465 /nfs/dbraw/zinc/92/24/65/655922465.db2.gz UKBCRKXQZACKFT-UHFFFAOYSA-N 1 0 390.981 2.796 20 0 GFADRO CC[C@H](C[NH+]1CCCC1)NC(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000758503316 655934351 /nfs/dbraw/zinc/93/43/51/655934351.db2.gz FXHZKWLEZZRKDY-GFCCVEGCSA-N 1 0 375.441 2.679 20 0 GFADRO CC[NH+](CC)CCOCCNS(=O)(=O)c1ccc2nc(Cl)sc2c1 ZINC000758584817 655936489 /nfs/dbraw/zinc/93/64/89/655936489.db2.gz ZGDBNMYARCCLIS-UHFFFAOYSA-N 1 0 391.946 2.586 20 0 GFADRO CNC(=O)COc1cccc(C[NH2+]C[C@H](O)c2ccc(Cl)cc2Cl)c1 ZINC000759063252 655946248 /nfs/dbraw/zinc/94/62/48/655946248.db2.gz AFNDLJRVBNVLBY-KRWDZBQOSA-N 1 0 383.275 2.941 20 0 GFADRO CCc1c(Cl)nc(CS(C)(=O)=O)nc1N[C@H](C)C(C)(C)C[NH+](C)C ZINC000759235025 655951055 /nfs/dbraw/zinc/95/10/55/655951055.db2.gz KIYNOGPRYPQUSJ-LLVKDONJSA-N 1 0 376.954 2.625 20 0 GFADRO CS[C@@H]1CN(C(=O)c2c(C)nn(-c3ccccc3)c2Cl)C[C@@H]1[NH+](C)C ZINC000760209561 655972536 /nfs/dbraw/zinc/97/25/36/655972536.db2.gz SMMUWGFGTJHJHO-LSDHHAIUSA-N 1 0 378.929 2.952 20 0 GFADRO CN(CC[NH+]1CCCC1)C(=O)c1cnn(-c2ccccc2)c1Br ZINC000760242711 655973527 /nfs/dbraw/zinc/97/35/27/655973527.db2.gz HGZLFNGYWVYBOW-UHFFFAOYSA-N 1 0 377.286 2.803 20 0 GFADRO Cn1ncc(C(=O)N2CC[C@@H]([N@H+](C)Cc3ccccc3)C2)c1Br ZINC000760327173 655976253 /nfs/dbraw/zinc/97/62/53/655976253.db2.gz ORSHZPXPJNHOOE-CQSZACIVSA-N 1 0 377.286 2.529 20 0 GFADRO Brc1cc2c(cc1C[NH2+][C@@H]1CCCC[C@@H]1N1CCOCC1)OCO2 ZINC000760919793 655994734 /nfs/dbraw/zinc/99/47/34/655994734.db2.gz KQFKELJGZYAXAD-CVEARBPZSA-N 1 0 397.313 2.911 20 0 GFADRO C[C@]1(c2cccc(Br)c2)NC(=O)N([C@H]2CC[N@@H+]3CCCC[C@@H]23)C1=O ZINC000761123335 655999305 /nfs/dbraw/zinc/99/93/05/655999305.db2.gz HMTFOTDFLCNRIA-RLFYNMQTSA-N 1 0 392.297 2.843 20 0 GFADRO C[C@@H]1C[N@H+](CCCNCc2ccccc2I)CCCO1 ZINC000762483032 656043980 /nfs/dbraw/zinc/04/39/80/656043980.db2.gz VNIINERUMQKHFO-CQSZACIVSA-N 1 0 388.293 2.882 20 0 GFADRO CC(C)OCC[NH+]1CCC(NC(=O)N[C@@H]2CC[C@@H]3SCCS[C@H]23)CC1 ZINC000762635302 656053720 /nfs/dbraw/zinc/05/37/20/656053720.db2.gz VOWZAQIYPVSRPH-IXDOHACOSA-N 1 0 387.615 2.555 20 0 GFADRO C[N@@H+]1CC[C@@](O)(CNC(=O)Nc2ccc3cc(Br)ccc3c2)C1 ZINC000762870184 656061820 /nfs/dbraw/zinc/06/18/20/656061820.db2.gz ZFUQKQQATNADKP-QGZVFWFLSA-N 1 0 378.270 2.790 20 0 GFADRO CCSc1nn(CN2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)c(=S)s1 ZINC000763336773 656079671 /nfs/dbraw/zinc/07/96/71/656079671.db2.gz NKPKRYFWABLVNV-KBPBESRZSA-N 1 0 387.644 2.701 20 0 GFADRO Cc1cc(Br)ncc1NC(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000763830640 656094444 /nfs/dbraw/zinc/09/44/44/656094444.db2.gz FTCVFWTXGASGSP-CYBMUJFWSA-N 1 0 385.306 2.775 20 0 GFADRO C[C@@H]([NH2+]CC1CCCCC1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000764516891 656112480 /nfs/dbraw/zinc/11/24/80/656112480.db2.gz WVPBQRPRVSUCRO-CQSZACIVSA-N 1 0 388.555 2.643 20 0 GFADRO C[C@H]1CCCN(C(=O)Nc2cc3c(cc2Br)OCCO3)[C@H]1C[NH3+] ZINC000841014671 661227289 /nfs/dbraw/zinc/22/72/89/661227289.db2.gz HUUOSEXEYSXQDA-GWCFXTLKSA-N 1 0 384.274 2.811 20 0 GFADRO Cc1n[nH]cc1S(=O)(=O)N(CC[NH+]1CCCC1)Cc1ccc(Cl)cc1 ZINC000765207381 656137038 /nfs/dbraw/zinc/13/70/38/656137038.db2.gz GXMROTYZEVAPQT-UHFFFAOYSA-N 1 0 382.917 2.658 20 0 GFADRO C[C@H]([NH2+]CCNS(=O)(=O)c1cccc(Cl)c1)c1ccc2c(c1)CCO2 ZINC000765400511 656141688 /nfs/dbraw/zinc/14/16/88/656141688.db2.gz GGBFJLKYOGZFKF-ZDUSSCGKSA-N 1 0 380.897 2.904 20 0 GFADRO CC[N@@H+]1C[C@H](C)N(C(=O)c2cn(-c3ccccc3Br)nn2)C[C@@H]1C ZINC000765934076 656155446 /nfs/dbraw/zinc/15/54/46/656155446.db2.gz XWHZJVWVJWPZFQ-STQMWFEESA-N 1 0 392.301 2.585 20 0 GFADRO CN(C[C@@H](O)C[NH3+])C(=O)Nc1ccccc1SC[C@H]1CC1(Cl)Cl ZINC000841060489 661230242 /nfs/dbraw/zinc/23/02/42/661230242.db2.gz LYKLUKJWZUMVFU-MNOVXSKESA-N 1 0 378.325 2.756 20 0 GFADRO CC[N@@H+]1C[C@H](C)N(C(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)C[C@@H]1C ZINC000766310727 656168283 /nfs/dbraw/zinc/16/82/83/656168283.db2.gz KZHOJEPLAXXTSS-RYUDHWBXSA-N 1 0 375.441 2.629 20 0 GFADRO CS[C@H]1CN(S(=O)(=O)c2ccc(OC3CCCC3)cc2)C[C@H]1[NH+](C)C ZINC000767313912 656199571 /nfs/dbraw/zinc/19/95/71/656199571.db2.gz BHOATEQBGPWXIC-MSOLQXFVSA-N 1 0 384.567 2.674 20 0 GFADRO O[C@@H]1CCC[C@@H]1[NH+]1CCC(NC(=S)NCCSc2ccccc2)CC1 ZINC000767690408 656214117 /nfs/dbraw/zinc/21/41/17/656214117.db2.gz QTRGKVRVOIBEMA-ZWKOTPCHSA-N 1 0 379.595 2.621 20 0 GFADRO COc1cc(S(=O)(=O)N(C)CC[N@H+](C)C2CCCCC2)cnc1Cl ZINC000767743314 656218389 /nfs/dbraw/zinc/21/83/89/656218389.db2.gz RKXWGUWKTASRRZ-UHFFFAOYSA-N 1 0 375.922 2.629 20 0 GFADRO COCCC[N@H+](C)CCNC(=O)Nc1cnc(Cl)c(Br)c1 ZINC000767915081 656227238 /nfs/dbraw/zinc/22/72/38/656227238.db2.gz QBYKYKKAINAMCD-UHFFFAOYSA-N 1 0 379.686 2.587 20 0 GFADRO C[NH2+][C@H]1CCCN(C(=O)C(=O)Nc2cccc(Cl)c2SC(F)F)C1 ZINC000841163949 661240638 /nfs/dbraw/zinc/24/06/38/661240638.db2.gz LYDGCOBOOBKRBD-VIFPVBQESA-N 1 0 377.844 2.804 20 0 GFADRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)Nc1ccc2cc(Br)ccc2c1 ZINC000841199577 661243708 /nfs/dbraw/zinc/24/37/08/661243708.db2.gz GMEVMBRSCUJJIJ-NWDGAFQWSA-N 1 0 390.281 2.737 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)C(=O)Nc2ccc3cc(Br)ccc3c2)C1 ZINC000841208837 661244378 /nfs/dbraw/zinc/24/43/78/661244378.db2.gz UCCOYKZGAMLGGN-RISCZKNCSA-N 1 0 390.281 2.737 20 0 GFADRO [NH3+]C[C@H](NC(=O)C(=O)Nc1ccccc1SC(F)(F)F)C1CCCC1 ZINC000841271078 661250639 /nfs/dbraw/zinc/25/06/39/661250639.db2.gz NQKITUMVQQNQCX-LBPRGKRZSA-N 1 0 375.416 2.871 20 0 GFADRO CCCCCSc1nc2ccc(NC(=O)C(=O)NC[C@H](C)[NH3+])cc2s1 ZINC000841232201 661246606 /nfs/dbraw/zinc/24/66/06/661246606.db2.gz UWNSFPOQBPGVBF-NSHDSACASA-N 1 0 380.539 2.981 20 0 GFADRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)Nc1cc(C(F)(F)F)cc(Br)n1 ZINC000841241123 661247682 /nfs/dbraw/zinc/24/76/82/661247682.db2.gz DKUYHJKBXCNTPE-IONNQARKSA-N 1 0 381.196 2.982 20 0 GFADRO O=C(NCC[C@@H]1CC[NH2+]C1)Nc1cc(C(F)(F)F)cc(Br)n1 ZINC000841241977 661248317 /nfs/dbraw/zinc/24/83/17/661248317.db2.gz SOUZHFMIEJUJDJ-QMMMGPOBSA-N 1 0 381.196 2.984 20 0 GFADRO C[NH+]1CCN(Cc2ccc(NC(=O)c3cccc(Br)n3)cc2)CC1 ZINC000770271143 656313536 /nfs/dbraw/zinc/31/35/36/656313536.db2.gz AYQNHGXWOZZRNN-UHFFFAOYSA-N 1 0 389.297 2.844 20 0 GFADRO C[C@H](CC(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccc(Br)cc1 ZINC000770274652 656314173 /nfs/dbraw/zinc/31/41/73/656314173.db2.gz KTZGHQZZNXGSMA-COXVUDFISA-N 1 0 381.314 2.922 20 0 GFADRO CNS(=O)(=O)c1ccc(Cl)c(C(=O)OCC[NH+]2CCCCC2)c1Cl ZINC000770388811 656317940 /nfs/dbraw/zinc/31/79/40/656317940.db2.gz BZEXTACRADFOAG-UHFFFAOYSA-N 1 0 395.308 2.544 20 0 GFADRO COC(=O)C1=NOC2(C1)CC[NH+](CCOc1ccc(Br)cc1)CC2 ZINC000771781338 656361769 /nfs/dbraw/zinc/36/17/69/656361769.db2.gz XLHFGKRVVZSZJV-UHFFFAOYSA-N 1 0 397.269 2.612 20 0 GFADRO Cc1ccc(CCC(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c(Br)c1 ZINC000771984276 656369218 /nfs/dbraw/zinc/36/92/18/656369218.db2.gz IRMQZGUCPVIZPA-HZPDHXFCSA-N 1 0 381.314 2.670 20 0 GFADRO C[NH+](C)Cc1ccc(NC(=O)Cc2cc[nH]c(=O)c2Br)cc1F ZINC000772340621 656377717 /nfs/dbraw/zinc/37/77/17/656377717.db2.gz DOLXFFUSYHVFKB-UHFFFAOYSA-N 1 0 382.233 2.932 20 0 GFADRO COCC[N@@H+]1CCC[C@H](NC(=O)C[C@@H](O)c2cc(Cl)cc(Cl)c2)C1 ZINC000772661221 656385267 /nfs/dbraw/zinc/38/52/67/656385267.db2.gz QACFHPNZJSNCBP-JKSUJKDBSA-N 1 0 375.296 2.644 20 0 GFADRO CN(C(=O)c1cnn(-c2ccccc2)c1Br)[C@H]1C[NH+]2CCC1CC2 ZINC000772966110 656395768 /nfs/dbraw/zinc/39/57/68/656395768.db2.gz JFDVAAOZWVZSGJ-INIZCTEOSA-N 1 0 389.297 2.801 20 0 GFADRO C[C@H]([NH2+][C@H]1CCC(C)(C)C1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000773145827 656401193 /nfs/dbraw/zinc/40/11/93/656401193.db2.gz NADVJWMPFIFKSF-ZFWWWQNUSA-N 1 0 388.555 2.642 20 0 GFADRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1cc(=O)c2cc(Br)ccc2o1 ZINC000841401517 661260603 /nfs/dbraw/zinc/26/06/03/661260603.db2.gz DMNYXOMLAKCFLV-YGRLFVJLSA-N 1 0 391.265 2.768 20 0 GFADRO CS[C@@H]1CN(S(=O)(=O)C2=Cc3ccccc3CC2)C[C@@H]1[NH+]1CCCC1 ZINC000773304983 656409539 /nfs/dbraw/zinc/40/95/39/656409539.db2.gz FRIGHOHRMLMOPY-RBUKOAKNSA-N 1 0 378.563 2.815 20 0 GFADRO CC[N@H+](C)C[C@H]1CCN(Cn2c(=O)oc3cc(Br)c(F)cc32)C1 ZINC000773319223 656411639 /nfs/dbraw/zinc/41/16/39/656411639.db2.gz ZWSIEEKNPDVKPC-LLVKDONJSA-N 1 0 386.265 2.727 20 0 GFADRO O=c1oc2cc(Br)c(F)cc2n1CN1CC[C@H]([C@H]2CCOC2)C1 ZINC000773320073 656411853 /nfs/dbraw/zinc/41/18/53/656411853.db2.gz CQTFGGPIGXZWLI-QWRGUYRKSA-N 1 0 385.233 2.812 20 0 GFADRO C[NH+]1CCC(ONC(=O)c2cc(Cl)ccc2I)CC1 ZINC000773550084 656459469 /nfs/dbraw/zinc/45/94/69/656459469.db2.gz OEDNLZDUXLZBBL-UHFFFAOYSA-N 1 0 394.640 2.700 20 0 GFADRO C[C@@H]([NH2+][C@@H](C)c1ccc(S(N)(=O)=O)cc1)[C@H](O)c1c(F)cccc1Cl ZINC000774461910 656529578 /nfs/dbraw/zinc/52/95/78/656529578.db2.gz RDNLFGWWJXVJSD-RVPKQNPDSA-N 1 0 386.876 2.899 20 0 GFADRO CS(=O)(=O)CC1(C[NH2+]Cc2nc3ccc(Br)cc3s2)CC1 ZINC000774999355 656583457 /nfs/dbraw/zinc/58/34/57/656583457.db2.gz IAOXEXLEIIODPH-UHFFFAOYSA-N 1 0 389.340 2.973 20 0 GFADRO CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]CCc1nnc2ccccn21 ZINC000775301152 656627218 /nfs/dbraw/zinc/62/72/18/656627218.db2.gz WLXLPPFITUEENV-UHFFFAOYSA-N 1 0 378.885 2.509 20 0 GFADRO O=S(=O)(NCC[NH2+][C@@H]1CC[C@@H]2SCCS[C@@H]12)c1cccc(Cl)c1 ZINC000775381813 656634496 /nfs/dbraw/zinc/63/44/96/656634496.db2.gz NAVYTLNORVPMRS-ILXRZTDVSA-N 1 0 392.999 2.588 20 0 GFADRO O=C(c1cccc(C[NH2+][C@@H]2CC[C@H]3SCCS[C@@H]23)c1)N1CCOCC1 ZINC000775381893 656634560 /nfs/dbraw/zinc/63/45/60/656634560.db2.gz DXDMFUZJCLRSFP-KURKYZTESA-N 1 0 378.563 2.628 20 0 GFADRO O=S1(=O)CCC(O)(C[NH2+][C@@H]2CCCc3cc(SC(F)F)ccc32)CC1 ZINC000775394394 656636242 /nfs/dbraw/zinc/63/62/42/656636242.db2.gz QPGRYNSZLUEZQF-OAHLLOKOSA-N 1 0 391.505 2.908 20 0 GFADRO O=S1(=O)CC[C@H]([NH2+]CCCCCCO)c2cc(Br)ccc21 ZINC000775532135 656647531 /nfs/dbraw/zinc/64/75/31/656647531.db2.gz RBLMGSACHNSTCK-AWEZNQCLSA-N 1 0 376.316 2.810 20 0 GFADRO CS[C@H]1CN(CC(=O)Nc2ccccc2SC(F)F)C[C@@H]1[NH+](C)C ZINC000775997468 656702024 /nfs/dbraw/zinc/70/20/24/656702024.db2.gz BEDNPIVXOBTMFA-JSGCOSHPSA-N 1 0 375.510 2.917 20 0 GFADRO CC[C@@H]([NH2+]CCCOC(=O)NC(N)=O)c1cc(F)cc(Br)c1 ZINC000776838138 656797698 /nfs/dbraw/zinc/79/76/98/656797698.db2.gz GPEVPQYZWIBCLS-GFCCVEGCSA-N 1 0 376.226 2.824 20 0 GFADRO CC(C)CS(=O)(=O)N1CCC([NH2+]Cc2occc2Br)CC1 ZINC000776958520 656802219 /nfs/dbraw/zinc/80/22/19/656802219.db2.gz PQLOLSVXLQUTDB-UHFFFAOYSA-N 1 0 379.320 2.582 20 0 GFADRO CS[C@H]1CN(C(=O)Nc2ccc(N3CCSCC3)cc2)C[C@H]1[NH+](C)C ZINC000779354631 656921721 /nfs/dbraw/zinc/92/17/21/656921721.db2.gz JRKAPYRZMASMQU-SJORKVTESA-N 1 0 380.583 2.749 20 0 GFADRO C[C@H]([C@@H](C)S(C)(=O)=O)[N@H+](C)CC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000779479533 656929579 /nfs/dbraw/zinc/92/95/79/656929579.db2.gz XKGHQFYKJRKGPO-OAGGEKHMSA-N 1 0 376.563 2.777 20 0 GFADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3cn(C(C)(C)C)nc3Br)CC[C@@H]21 ZINC000780649783 657021147 /nfs/dbraw/zinc/02/11/47/657021147.db2.gz NYNAUGGNYSANQG-OCCSQVGLSA-N 1 0 383.334 2.957 20 0 GFADRO CC(=O)Nc1cc(F)c(S(=O)(=O)NC[C@@H](C)[NH+]2CCCCC2)cc1Cl ZINC000780715727 657025554 /nfs/dbraw/zinc/02/55/54/657025554.db2.gz NVFBVKQZNKEWFV-LLVKDONJSA-N 1 0 391.896 2.590 20 0 GFADRO C[C@H]([NH2+]CCOc1ccc(S(=O)(=O)C(F)(F)F)cc1)[C@@H]1CCCOC1 ZINC000780729321 657026509 /nfs/dbraw/zinc/02/65/09/657026509.db2.gz DBDZQZRAZXFDJK-QWHCGFSZSA-N 1 0 381.416 2.764 20 0 GFADRO COc1ccc(C(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)nc1Br ZINC000781933133 657090686 /nfs/dbraw/zinc/09/06/86/657090686.db2.gz FZQYMCAXYLUTNL-CQSZACIVSA-N 1 0 392.297 2.755 20 0 GFADRO C[NH+](C)CC(C)(C)CNC(=O)c1cnn(-c2ccccc2)c1Br ZINC000782163194 657108141 /nfs/dbraw/zinc/10/81/41/657108141.db2.gz WSHSKEKWQRRDRO-UHFFFAOYSA-N 1 0 379.302 2.952 20 0 GFADRO CSCCCCCCNC(=S)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000782202702 657114553 /nfs/dbraw/zinc/11/45/53/657114553.db2.gz VJHGKVYWDSMCHK-UHFFFAOYSA-N 1 0 386.675 2.933 20 0 GFADRO COC(=O)[C@H]1CC(=O)N(C[NH2+]C2(c3ccc(Br)cc3)CCCC2)C1 ZINC000782271022 657123812 /nfs/dbraw/zinc/12/38/12/657123812.db2.gz WKCKBEWIWYYQAK-ZDUSSCGKSA-N 1 0 395.297 2.787 20 0 GFADRO CCOC(=O)c1nn(CN2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c(=S)s1 ZINC000782834502 657184021 /nfs/dbraw/zinc/18/40/21/657184021.db2.gz XVDBPBOLOCNBNG-OCCSQVGLSA-N 1 0 382.555 2.757 20 0 GFADRO CC[C@@](C)(CC(=O)OC)[NH2+]C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000784339579 657302115 /nfs/dbraw/zinc/30/21/15/657302115.db2.gz MQVRGNFFHHMUQB-BBRMVZONSA-N 1 0 392.265 2.649 20 0 GFADRO C[C@@H](CCNS(=O)(=O)c1ccc2nc(Cl)cnc2c1)[NH+]1CCCCC1 ZINC000784472751 657311646 /nfs/dbraw/zinc/31/16/46/657311646.db2.gz LPBZEOFKXVGBSY-ZDUSSCGKSA-N 1 0 382.917 2.826 20 0 GFADRO Cn1nc(Br)cc1C[NH2+]Cc1cccc(CN2CCCC2=O)c1 ZINC000785417190 657363116 /nfs/dbraw/zinc/36/31/16/657363116.db2.gz DPADEUHYCITVFG-UHFFFAOYSA-N 1 0 377.286 2.595 20 0 GFADRO Cn1nc(Br)cc1C[NH2+]Cc1ccc(N2CCCCC2=O)cc1 ZINC000785437206 657364486 /nfs/dbraw/zinc/36/44/86/657364486.db2.gz TZRCXANNQSJZOC-UHFFFAOYSA-N 1 0 377.286 2.989 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)OCCC(Cl)(Cl)Cl)CC1=O ZINC000785654871 657380533 /nfs/dbraw/zinc/38/05/33/657380533.db2.gz UAMFHZYBLFSKSH-NWDGAFQWSA-N 1 0 385.719 2.623 20 0 GFADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)/C=C/c1ccc(Br)o1 ZINC000785809653 657387117 /nfs/dbraw/zinc/38/71/17/657387117.db2.gz RABLFPVKNLPCSX-LQPUYASZSA-N 1 0 383.286 2.767 20 0 GFADRO COC[C@H]([NH2+]CCNS(=O)(=O)Cc1ccccc1)c1ccc(Cl)cc1 ZINC000786800261 657466478 /nfs/dbraw/zinc/46/64/78/657466478.db2.gz NFPPCKZXGWFCTE-SFHVURJKSA-N 1 0 382.913 2.737 20 0 GFADRO C[N@H+]1C[C@H]2CN(C(=O)C(=O)Nc3cccc(Cl)c3SC(F)F)C[C@H]2C1 ZINC000787599781 657574371 /nfs/dbraw/zinc/57/43/71/657574371.db2.gz WYQVOISYLQIDRC-AOOOYVTPSA-N 1 0 389.855 2.613 20 0 GFADRO CC[NH+](CC)[C@H](CNC(=O)C(=O)N[C@H]1CC[C@H](SC)C1)c1ccsc1 ZINC000787614468 657577006 /nfs/dbraw/zinc/57/70/06/657577006.db2.gz DUPVCMRMSCFDNU-HRCADAONSA-N 1 0 383.583 2.648 20 0 GFADRO COc1cc(C(=O)N[C@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)cnc1Br ZINC000788173542 657667248 /nfs/dbraw/zinc/66/72/48/657667248.db2.gz DYFLSRQDLPRWJZ-FRRDWIJNSA-N 1 0 384.318 2.949 20 0 GFADRO COc1cc(C(=O)NCC[N@H+](C)Cc2ccc(F)cc2)cnc1Br ZINC000788227646 657676948 /nfs/dbraw/zinc/67/69/48/657676948.db2.gz IHMVRZGIUMIMGF-UHFFFAOYSA-N 1 0 396.260 2.854 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)c2cc(Br)n[nH]2)CC[N@@H+]1Cc1ccccc1 ZINC000788303944 657693634 /nfs/dbraw/zinc/69/36/34/657693634.db2.gz HGTRWMSHJHVOHI-TZMCWYRMSA-N 1 0 377.286 2.955 20 0 GFADRO Cc1ccc(S(=O)(=O)N2CC[C@H]([N@H+](C)Cc3ccccc3)C2)c(Cl)n1 ZINC000788635783 657757199 /nfs/dbraw/zinc/75/71/99/657757199.db2.gz IIRWOVLIVLSEBD-INIZCTEOSA-N 1 0 379.913 2.938 20 0 GFADRO COC(=O)c1sc(S(=O)(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)c(C)c1Cl ZINC000788648487 657760402 /nfs/dbraw/zinc/76/04/02/657760402.db2.gz ZPHFYTQVSKOWLV-MNOVXSKESA-N 1 0 394.946 2.648 20 0 GFADRO COCC[NH+]1CCC(NC(=O)Cc2cc(C(F)(F)F)cc(Cl)n2)CC1 ZINC000788648937 657762035 /nfs/dbraw/zinc/76/20/35/657762035.db2.gz AZXYFYCKRXOFMA-UHFFFAOYSA-N 1 0 379.810 2.523 20 0 GFADRO C[C@@H]1CN(CC[N@H+](C)C[C@@H](O)c2ccc(F)c(Br)c2)C[C@H](C)O1 ZINC000789328491 657838363 /nfs/dbraw/zinc/83/83/63/657838363.db2.gz ABXAEUUDDHQBSJ-IIYDPXPESA-N 1 0 389.309 2.663 20 0 GFADRO CCS(=O)(=O)c1ccc([C@@H](C)NC(=S)NCC(C)(C)C[NH+](C)C)cc1 ZINC000789390168 657848062 /nfs/dbraw/zinc/84/80/62/657848062.db2.gz ZIYAMIYYIYRSOM-CQSZACIVSA-N 1 0 385.599 2.593 20 0 GFADRO CCc1[nH]nc(C(=O)Nc2ccccc2N2CC[NH+](C)CC2)c1Br ZINC000789883323 657897191 /nfs/dbraw/zinc/89/71/91/657897191.db2.gz DZMSJKVYXXCQAC-UHFFFAOYSA-N 1 0 392.301 2.739 20 0 GFADRO COC(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)c1 ZINC000790451470 657983103 /nfs/dbraw/zinc/98/31/03/657983103.db2.gz SFFUWHKMFXYTBD-OAHLLOKOSA-N 1 0 388.917 2.525 20 0 GFADRO CC(C)[NH+]1CCN(CCCOC(=O)COc2ccccc2Br)CC1 ZINC000792088321 658230850 /nfs/dbraw/zinc/23/08/50/658230850.db2.gz MVCUTLOUDOYNCZ-UHFFFAOYSA-N 1 0 399.329 2.787 20 0 GFADRO COc1cccc(OC)c1OC[C@H](O)C[N@@H+]1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl ZINC000792909301 658329074 /nfs/dbraw/zinc/32/90/74/658329074.db2.gz STOXKAYROHBCLK-VMGRFDJRSA-N 1 0 390.307 2.959 20 0 GFADRO CC[NH+](CC)[C@@H](CNC(=O)C(=O)Nc1cccc(Br)n1)CC(C)C ZINC000792949925 658333491 /nfs/dbraw/zinc/33/34/91/658333491.db2.gz BVQLXWKATYTNDO-CYBMUJFWSA-N 1 0 399.333 2.655 20 0 GFADRO CC(C)(C)OC(=O)NCC[C@@H](O)C[NH2+]Cc1cc(Br)ccc1F ZINC000792958828 658335402 /nfs/dbraw/zinc/33/54/02/658335402.db2.gz LALBJJUGYDXEKN-CYBMUJFWSA-N 1 0 391.281 2.954 20 0 GFADRO CC(C)[C@@H](C(=O)OCc1cn(-c2ccccc2Br)nn1)[NH+](C)C ZINC000793373461 658391605 /nfs/dbraw/zinc/39/16/05/658391605.db2.gz WQBTWLFXVUHFFS-HNNXBMFYSA-N 1 0 381.274 2.659 20 0 GFADRO Cc1nc(SC(F)F)sc1CC(=O)NCCCC[N@@H+]1CCC[C@H]1CO ZINC000793687127 658426272 /nfs/dbraw/zinc/42/62/72/658426272.db2.gz MORHBEJQJGOZKE-LBPRGKRZSA-N 1 0 393.525 2.662 20 0 GFADRO C[C@@H](CNC(=O)C(=O)N[C@@H](C)c1ccc(Br)cc1)[NH+]1CCCCC1 ZINC000793710880 658431059 /nfs/dbraw/zinc/43/10/59/658431059.db2.gz VCYKVNJHKKPFOR-KBPBESRZSA-N 1 0 396.329 2.617 20 0 GFADRO C[C@H](O)C[N@@H+]1CCN(C(=O)Cc2ccc(Cl)cc2Br)[C@@H](C)C1 ZINC000793874492 658453141 /nfs/dbraw/zinc/45/31/41/658453141.db2.gz LVWYODNEJPNIER-RYUDHWBXSA-N 1 0 389.721 2.559 20 0 GFADRO O=C(NCC[N@H+]1CC=CCC1)c1cnn(-c2ccccc2)c1Br ZINC000794122886 658489900 /nfs/dbraw/zinc/48/99/00/658489900.db2.gz LGMXGYJAJCBYTR-UHFFFAOYSA-N 1 0 375.270 2.627 20 0 GFADRO O=C(Nc1cccc(C[N@H+]2CC[C@@H](O)C2)c1)c1nc(Br)cs1 ZINC000794588811 658570150 /nfs/dbraw/zinc/57/01/50/658570150.db2.gz XCSILRGMZSXRPP-GFCCVEGCSA-N 1 0 382.283 2.725 20 0 GFADRO O=c1oc2cccc(Br)c2n1CN1CC[NH+](C2CCCC2)CC1 ZINC000794616376 658578999 /nfs/dbraw/zinc/57/89/99/658578999.db2.gz GRXKNTHUCHJMJK-UHFFFAOYSA-N 1 0 380.286 2.875 20 0 GFADRO O=c1oc2cccc(Br)c2n1CN1CCC[C@@H]1C[NH+]1CCCC1 ZINC000794633576 658584245 /nfs/dbraw/zinc/58/42/45/658584245.db2.gz VFUDPQFVFMMKGH-CYBMUJFWSA-N 1 0 380.286 2.875 20 0 GFADRO CCn1cc(NC(=S)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)cn1 ZINC000795002006 658647825 /nfs/dbraw/zinc/64/78/25/658647825.db2.gz XPLIPLRYVLTEOW-UHFFFAOYSA-N 1 0 375.464 2.995 20 0 GFADRO COc1cc(S(=O)(=O)N[C@@H](C)[C@H](c2ccccc2)[NH+](C)C)cnc1Cl ZINC000795165084 658698996 /nfs/dbraw/zinc/69/89/96/658698996.db2.gz WRSUWMFLISBSFZ-BLLLJJGKSA-N 1 0 383.901 2.713 20 0 GFADRO CC(C)(C)OC(=O)N1CCO[C@H]([C@@H]([NH2+]C[C@@H]2CSCCS2)C2CC2)C1 ZINC000796793324 658939397 /nfs/dbraw/zinc/93/93/97/658939397.db2.gz NDKOSVHZTIOBMG-PMPSAXMXSA-N 1 0 388.599 2.839 20 0 GFADRO C[NH+](C)CCCNC(=S)N(CCn1ccnc1)Cc1cccc(Cl)c1 ZINC000797412022 659017877 /nfs/dbraw/zinc/01/78/77/659017877.db2.gz XRURENQNQQIRGU-UHFFFAOYSA-N 1 0 379.961 2.865 20 0 GFADRO C[C@@H]1CN(C(=O)C[NH+]2CCC(c3cccc(Br)c3)CC2)CCO1 ZINC000799199965 659172546 /nfs/dbraw/zinc/17/25/46/659172546.db2.gz SFTANMKURJXCRF-CQSZACIVSA-N 1 0 381.314 2.876 20 0 GFADRO COc1cccc([C@@H](CNC(=O)N2CCC=C(Br)C2)[NH+](C)C)c1 ZINC000799523422 659197274 /nfs/dbraw/zinc/19/72/74/659197274.db2.gz LFKHHFZGIUYASO-MRXNPFEDSA-N 1 0 382.302 2.992 20 0 GFADRO Fc1ccc(Br)c2nccc(NC[C@H]3C[N@@H+]4CCC[C@@H]4CO3)c12 ZINC000799933930 659245447 /nfs/dbraw/zinc/24/54/47/659245447.db2.gz GPVMNLAGCTTWGB-NEPJUHHUSA-N 1 0 380.261 2.833 20 0 GFADRO O=C(OCCC[NH+]1CCCC1)[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000800141520 659276195 /nfs/dbraw/zinc/27/61/95/659276195.db2.gz DEHJCHURXJCTTL-MRXNPFEDSA-N 1 0 395.297 2.831 20 0 GFADRO O=C(OCCC[NH+]1CCCC1)c1n[nH]c2ccc(I)cc21 ZINC000800175532 659285878 /nfs/dbraw/zinc/28/58/78/659285878.db2.gz OWZLWKQINVBOCO-UHFFFAOYSA-N 1 0 399.232 2.810 20 0 GFADRO Cc1nn(C)c(Br)c1C(=O)NC[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000800838285 659336150 /nfs/dbraw/zinc/33/61/50/659336150.db2.gz AUZLDVMZRPOXPJ-GFCCVEGCSA-N 1 0 391.313 2.668 20 0 GFADRO COc1ccc(C[NH+](C)C)cc1NC(=O)c1c(C)nn(C)c1Br ZINC000800840750 659337165 /nfs/dbraw/zinc/33/71/65/659337165.db2.gz ALUMCURXNBZYAL-UHFFFAOYSA-N 1 0 381.274 2.814 20 0 GFADRO C[NH+](C)CC1(CNS(=O)(=O)c2cc3c(cc2Cl)CCC3=O)CCCC1 ZINC000800934412 659352898 /nfs/dbraw/zinc/35/28/98/659352898.db2.gz QYOLZXAESHYSQG-UHFFFAOYSA-N 1 0 384.929 2.869 20 0 GFADRO Cc1nn(C)c(Br)c1C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000801098465 659368037 /nfs/dbraw/zinc/36/80/37/659368037.db2.gz FDERZWAUWPOBPC-UKRRQHHQSA-N 1 0 377.286 2.666 20 0 GFADRO CCCn1c(SCCN2CCOCC2)nc2sc3c(c2c1=O)CCC3 ZINC000801764656 659425356 /nfs/dbraw/zinc/42/53/56/659425356.db2.gz BIRJZLPJRYLUHX-UHFFFAOYSA-N 1 0 379.551 2.781 20 0 GFADRO C[N@@H+]1CCCC[C@H]1CCC(=O)O[C@H](C(N)=O)c1cccc(Br)c1 ZINC000803858822 659611349 /nfs/dbraw/zinc/61/13/49/659611349.db2.gz JIRCVMILUPYICD-HOCLYGCPSA-N 1 0 383.286 2.783 20 0 GFADRO O=S(=O)(NC[C@@H]1CCC[N@@H+]1C1CCCCC1)c1cnc(Cl)c(F)c1 ZINC000805086605 659737934 /nfs/dbraw/zinc/73/79/34/659737934.db2.gz CXBPHEHGMGLMPR-ZDUSSCGKSA-N 1 0 375.897 2.950 20 0 GFADRO CNC(=O)OC[C@@H]1CCCC[N@@H+]1C[C@H](O)COc1cc(Cl)ccc1Cl ZINC000805827644 659808126 /nfs/dbraw/zinc/80/81/26/659808126.db2.gz LSQLENZAGOBIHI-KBPBESRZSA-N 1 0 391.295 2.944 20 0 GFADRO CN(CC[NH2+][C@@H]1CCc2nc(Cl)ccc21)S(=O)(=O)c1ccc(F)cc1 ZINC000806163080 659826534 /nfs/dbraw/zinc/82/65/34/659826534.db2.gz AWCOORCZTPIIAE-OAHLLOKOSA-N 1 0 383.876 2.772 20 0 GFADRO O=S(=O)(c1ccccc1)N1CC[C@H]([NH2+][C@@H]2CCc3nc(Cl)ccc32)C1 ZINC000806182990 659827145 /nfs/dbraw/zinc/82/71/45/659827145.db2.gz IYLUGEMUJUXQJL-XJKSGUPXSA-N 1 0 377.897 2.775 20 0 GFADRO CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NCCn1cc(Br)cn1 ZINC000807529470 659858157 /nfs/dbraw/zinc/85/81/57/659858157.db2.gz VRLAOYALRGCQKC-UHFFFAOYSA-N 1 0 394.317 2.549 20 0 GFADRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1Cn1c2ccc(Br)cc2oc1=O ZINC000808189868 659880882 /nfs/dbraw/zinc/88/08/82/659880882.db2.gz BPFGHDQSPNVGTR-OCCSQVGLSA-N 1 0 380.286 2.873 20 0 GFADRO C[C@@H](Cc1ccc(F)cc1Br)[NH2+]CCS(=O)(=O)CC1CC1 ZINC000808395570 659893216 /nfs/dbraw/zinc/89/32/16/659893216.db2.gz AVXPJMPLYOOVJK-NSHDSACASA-N 1 0 378.307 2.934 20 0 GFADRO O[C@@H]1c2ccccc2OC[C@@H]1[NH2+]Cc1cccc(I)c1 ZINC000808454758 659894694 /nfs/dbraw/zinc/89/46/94/659894694.db2.gz SPULJWRRLMYJSP-GOEBONIOSA-N 1 0 381.213 2.875 20 0 GFADRO O[C@@H]1c2ccccc2OC[C@@H]1[NH2+]Cc1cc(Br)c2c(c1)OCCO2 ZINC000808453532 659894750 /nfs/dbraw/zinc/89/47/50/659894750.db2.gz HNOBVBAKAHNIRE-WMLDXEAASA-N 1 0 392.249 2.805 20 0 GFADRO OC1CC[NH+](Cc2ccccc2CNc2cnc(Br)cn2)CC1 ZINC000809356033 659924297 /nfs/dbraw/zinc/92/42/97/659924297.db2.gz YLRBZKQMKOYJJC-UHFFFAOYSA-N 1 0 377.286 2.808 20 0 GFADRO Clc1nc2cc(Cl)ccn2c1CN1CCN(CC[NH+]2CCCC2)CC1 ZINC000809540364 659931701 /nfs/dbraw/zinc/93/17/01/659931701.db2.gz SJXVZVWARAMQEG-UHFFFAOYSA-N 1 0 382.339 2.855 20 0 GFADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1nc2ccccc2cc1Br ZINC000809643224 659934898 /nfs/dbraw/zinc/93/48/98/659934898.db2.gz FMBVRBVRZAIRLL-KBPBESRZSA-N 1 0 390.281 2.590 20 0 GFADRO CC[NH+](CC)CCS(=O)(=O)Oc1ccc(C)cc1I ZINC000810055483 659958205 /nfs/dbraw/zinc/95/82/05/659958205.db2.gz OPXYWNYNCRJZRK-UHFFFAOYSA-N 1 0 397.278 2.650 20 0 GFADRO CCC[N@H+](CC)C[C@@H](C)NS(=O)(=O)c1cc(C(=O)OC)ccc1Cl ZINC000810118584 659963230 /nfs/dbraw/zinc/96/32/30/659963230.db2.gz YNUSCRSAWUBYRP-GFCCVEGCSA-N 1 0 376.906 2.525 20 0 GFADRO O=S(=O)(Cc1ccccc1)NCC[NH2+]Cc1cscc1C(F)(F)F ZINC000810134271 659963967 /nfs/dbraw/zinc/96/39/67/659963967.db2.gz RINMRZMXENJZTO-UHFFFAOYSA-N 1 0 378.441 2.976 20 0 GFADRO CC[C@](C)(CC(=O)OC)[NH2+]Cc1cn(-c2ccccc2Br)nn1 ZINC000810147776 659964766 /nfs/dbraw/zinc/96/47/66/659964766.db2.gz RRTGOWMCBFWDHA-MRXNPFEDSA-N 1 0 381.274 2.851 20 0 GFADRO O=C(CCNC(=O)c1ccc(Br)cc1)O[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000810844953 659988445 /nfs/dbraw/zinc/98/84/45/659988445.db2.gz ACLZYDRXSFNBJF-HZPDHXFCSA-N 1 0 395.297 2.739 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)N[C@@H](CO)c2cccc(Br)c2)C1 ZINC000810938190 659990919 /nfs/dbraw/zinc/99/09/19/659990919.db2.gz DKHLPWNUYLXRDB-YOEHRIQHSA-N 1 0 387.293 2.811 20 0 GFADRO CC(C)(C)OC(=O)NC[C@@](C)(O)C[NH2+]Cc1cc(F)ccc1Br ZINC000811813841 660015867 /nfs/dbraw/zinc/01/58/67/660015867.db2.gz IXSJVKGOGJHDMM-INIZCTEOSA-N 1 0 391.281 2.954 20 0 GFADRO CCCC[N@H+](C)C[C@@H](C)NC(=O)NC[C@@H](O)c1cccc(Br)c1 ZINC000811930537 660018037 /nfs/dbraw/zinc/01/80/37/660018037.db2.gz VMEPGJMEZOFMGL-CZUORRHYSA-N 1 0 386.334 2.902 20 0 GFADRO CC1(C)[C@H](O)CC[N@@H+]1C[C@H](O)COc1ccc(Cl)cc1Br ZINC000812865816 660035990 /nfs/dbraw/zinc/03/59/90/660035990.db2.gz STIQTBSLFQQVLD-SMDDNHRTSA-N 1 0 378.694 2.687 20 0 GFADRO C[C@H]1CN(CCNC(=O)N2CC[C@@H](Sc3cccc(Cl)c3)C2)CCO1 ZINC000813617163 660058200 /nfs/dbraw/zinc/05/82/00/660058200.db2.gz ONLWIZQVCLPPCT-WMLDXEAASA-N 1 0 383.945 2.937 20 0 GFADRO C[N@@H+]1CC[C@@]2(CCN(C(=O)NOCc3ccc(F)cc3Br)C2)C1 ZINC000813726847 660062389 /nfs/dbraw/zinc/06/23/89/660062389.db2.gz HOYBZXMXHBOGFF-MRXNPFEDSA-N 1 0 386.265 2.757 20 0 GFADRO C[C@H]1CN(S(=O)(=O)c2c(Cl)nc3sccn32)CC[N@@H+](C2CCC2)C1 ZINC000813750798 660062807 /nfs/dbraw/zinc/06/28/07/660062807.db2.gz DCQNIAQAVNNCGE-LLVKDONJSA-N 1 0 388.946 2.544 20 0 GFADRO Cc1nc2n(n1)C[C@H]([NH2+]C[C@](C)(O)c1ccc(Br)cc1Cl)CC2 ZINC000815040595 660106100 /nfs/dbraw/zinc/10/61/00/660106100.db2.gz IEMLJENVSISMAD-WBMJQRKESA-N 1 0 399.720 2.815 20 0 GFADRO Brc1cccc2c1C[C@@H]([NH2+]C[C@H]1COC3(CCOCC3)O1)CC2 ZINC000815135058 660114109 /nfs/dbraw/zinc/11/41/09/660114109.db2.gz IFVVPHBMNCZPJN-GJZGRUSLSA-N 1 0 382.298 2.818 20 0 GFADRO CC(C)[C@H]([NH2+]C[C@H](O)COc1cccc(Br)c1)C1(CO)CCC1 ZINC000815255184 660118462 /nfs/dbraw/zinc/11/84/62/660118462.db2.gz REBWISCDMUGKHG-RDJZCZTQSA-N 1 0 386.330 2.966 20 0 GFADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2cn3c(Br)cnc3s2)C1 ZINC000815720939 660129278 /nfs/dbraw/zinc/12/92/78/660129278.db2.gz UVOFGIFAFQNELE-NSHDSACASA-N 1 0 385.331 2.962 20 0 GFADRO Cc1[nH]c2ccc(Br)cc2c1CC(=O)NOC1CC[NH+](C)CC1 ZINC000816533724 660160379 /nfs/dbraw/zinc/16/03/79/660160379.db2.gz HZFISTBVVNPCHM-UHFFFAOYSA-N 1 0 380.286 2.923 20 0 GFADRO CN1CC[NH+](CC2CN(C(=O)c3cc4c(ccc(Cl)c4Cl)[nH]3)C2)CC1 ZINC000816751728 660168057 /nfs/dbraw/zinc/16/80/57/660168057.db2.gz BCIPVVSKZCQLEO-UHFFFAOYSA-N 1 0 381.307 2.794 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)[C@@H]1CSC(c2ccccc2O)=N1)c1ccsc1 ZINC000816857591 660170600 /nfs/dbraw/zinc/17/06/00/660170600.db2.gz LOXWVRUZVQUJTH-GJZGRUSLSA-N 1 0 375.519 2.735 20 0 GFADRO [NH3+]CCc1ccc(CNC(=O)NCCNc2ncc(Cl)cc2Cl)cc1 ZINC000841699658 661309601 /nfs/dbraw/zinc/30/96/01/661309601.db2.gz KJKILDXHDKLVFS-UHFFFAOYSA-N 1 0 382.295 2.801 20 0 GFADRO COc1cc(NC(=O)NC[C@H]2CSCCS2)ccc1OCC[NH+](C)C ZINC000841820215 661316017 /nfs/dbraw/zinc/31/60/17/661316017.db2.gz KUSWQEQFLUOFJO-AWEZNQCLSA-N 1 0 385.555 2.606 20 0 GFADRO COC(=O)c1ccc(CNC(=O)N[C@H](C[NH3+])C2CCCC2)c(Br)c1 ZINC000841987053 661318956 /nfs/dbraw/zinc/31/89/56/661318956.db2.gz PUMMMJSPEJCPNA-OAHLLOKOSA-N 1 0 398.301 2.552 20 0 GFADRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N1CCO[C@@H](c2ccccc2Br)C1 ZINC000841988509 661318971 /nfs/dbraw/zinc/31/89/71/661318971.db2.gz LADDGIMIFDLBOV-UHOFOFEASA-N 1 0 382.302 2.530 20 0 GFADRO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)Nc1cnc(Cl)c(C(F)(F)F)c1 ZINC000842199223 661326665 /nfs/dbraw/zinc/32/66/65/661326665.db2.gz GOVMXCSVOKNPFS-SECBINFHSA-N 1 0 380.798 2.539 20 0 GFADRO Brc1cccc(Cc2noc(CN3CC[C@]4(CCC[NH2+]4)C3)n2)c1 ZINC000842477855 661341200 /nfs/dbraw/zinc/34/12/00/661341200.db2.gz HNCITDKOEKGLLL-QGZVFWFLSA-N 1 0 377.286 2.751 20 0 GFADRO [NH3+][C@@H]1CN(S(=O)(=O)c2ccc(Cl)nc2Cl)C[C@H]1c1ccccc1F ZINC000842485596 661342046 /nfs/dbraw/zinc/34/20/46/661342046.db2.gz WKTIVNYOHBDNJD-CMPLNLGQSA-N 1 0 390.267 2.643 20 0 GFADRO CC(C)C[N@@H+]1CCO[C@H](CNCc2cc(Br)cnc2Cl)C1 ZINC000842659199 661347651 /nfs/dbraw/zinc/34/76/51/661347651.db2.gz BLRYFXVGHXUCHN-CQSZACIVSA-N 1 0 376.726 2.944 20 0 GFADRO O=C(NCCc1nc([C@@H]2CCC[NH2+]C2)no1)Nc1ccc(Br)cc1 ZINC000842665202 661347867 /nfs/dbraw/zinc/34/78/67/661347867.db2.gz LGOIQGKKPDRJJH-LLVKDONJSA-N 1 0 394.273 2.663 20 0 GFADRO Cc1c(-c2nc([C@H]3CCC[NH2+]C3)no2)nnn1-c1cccc(Br)c1 ZINC000842668646 661348095 /nfs/dbraw/zinc/34/80/95/661348095.db2.gz MEISOYCMLKTSMF-NSHDSACASA-N 1 0 389.257 2.855 20 0 GFADRO O=C1C[C@H](c2nc([C@H]3CCC[NH2+]C3)no2)CN1c1cccc(Br)c1 ZINC000842666119 661348139 /nfs/dbraw/zinc/34/81/39/661348139.db2.gz WDLUOJYQUMNZOG-RYUDHWBXSA-N 1 0 391.269 2.820 20 0 GFADRO COc1ccc2nc(Cl)ccc2c1S(=O)(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000842706276 661350356 /nfs/dbraw/zinc/35/03/56/661350356.db2.gz BTWCUDXBWJYUBR-NSHDSACASA-N 1 0 383.901 2.645 20 0 GFADRO O=S(=O)(NCC[NH2+]C1CCCCCC1)c1c(Cl)nc2sccn21 ZINC000842728659 661351490 /nfs/dbraw/zinc/35/14/90/661351490.db2.gz BSBLRZAJXHPNET-UHFFFAOYSA-N 1 0 376.935 2.640 20 0 GFADRO [NH3+]CC[C@@H]1CN(S(=O)(=O)c2c(Cl)nc3sccn32)c2ccccc21 ZINC000842797607 661354992 /nfs/dbraw/zinc/35/49/92/661354992.db2.gz PNGMHKVUBFOXRI-SNVBAGLBSA-N 1 0 382.898 2.691 20 0 GFADRO COc1ccc(I)c(NC(=O)NCCCCCC[NH3+])c1 ZINC000843037467 661365002 /nfs/dbraw/zinc/36/50/02/661365002.db2.gz DFAAQQTZOXFKQS-UHFFFAOYSA-N 1 0 391.253 2.940 20 0 GFADRO COc1ccc(NC(=O)NCCCCCC[NH3+])c(I)c1 ZINC000843042475 661365233 /nfs/dbraw/zinc/36/52/33/661365233.db2.gz MJMZGBIPNBNELH-UHFFFAOYSA-N 1 0 391.253 2.940 20 0 GFADRO O[C@H](C[NH2+]C[C@H](O)c1ccccc1Br)COc1cccc(F)c1 ZINC000843065932 661365962 /nfs/dbraw/zinc/36/59/62/661365962.db2.gz NJAWYNBFUROJGA-DYVFJYSZSA-N 1 0 384.245 2.651 20 0 GFADRO CC(C)(C)OC(=O)NC[C@@](C)(O)C[NH2+]C[C@@H](O)c1ccc(Cl)cc1Cl ZINC000843075776 661366605 /nfs/dbraw/zinc/36/66/05/661366605.db2.gz OZXQABHOGDGGCQ-PBHICJAKSA-N 1 0 393.311 2.892 20 0 GFADRO CC(C)(C)OC(=O)NCC[C@H](O)C[NH2+]C[C@H](O)c1ccc(Cl)cc1Cl ZINC000843075608 661366628 /nfs/dbraw/zinc/36/66/28/661366628.db2.gz NEJNVPZMNSXHNR-WFASDCNBSA-N 1 0 393.311 2.892 20 0 GFADRO Cc1ccccc1OC[C@@H](O)C[NH2+]C[C@@H](O)c1ccccc1Br ZINC000843097408 661367683 /nfs/dbraw/zinc/36/76/83/661367683.db2.gz ZCHWKFPJWTYMCB-WMLDXEAASA-N 1 0 380.282 2.820 20 0 GFADRO O[C@@H](C[NH2+]C[C@@H](O)c1ccc(F)cc1)COc1ccccc1Br ZINC000843098417 661367846 /nfs/dbraw/zinc/36/78/46/661367846.db2.gz WSWJVMGCBHHDCC-GOEBONIOSA-N 1 0 384.245 2.651 20 0 GFADRO OC[C@H](C[NH2+]C[C@H](O)c1ccc(Br)cc1)Cc1ccncc1Cl ZINC000843110773 661368521 /nfs/dbraw/zinc/36/85/21/661368521.db2.gz HMZMMFVVDNVICF-SJCJKPOMSA-N 1 0 399.716 2.972 20 0 GFADRO OC[C@H](C[C@H](O)c1ccccc1)[NH2+]C[C@H](O)c1ccccc1Br ZINC000843109590 661368563 /nfs/dbraw/zinc/36/85/63/661368563.db2.gz YVZOZTYTHRDYGG-WBAXXEDZSA-N 1 0 380.282 2.557 20 0 GFADRO O=C(CC[NH2+][C@@H]1COc2ccccc2[C@H]1O)Nc1ccc(Br)cc1 ZINC000843116698 661369525 /nfs/dbraw/zinc/36/95/25/661369525.db2.gz NQZLACMVMTZCNA-CRAIPNDOSA-N 1 0 391.265 2.862 20 0 GFADRO O[C@H](C[NH2+][C@@H]1COc2ccccc2[C@H]1O)c1ccc(F)c(Br)c1 ZINC000843118106 661369849 /nfs/dbraw/zinc/36/98/49/661369849.db2.gz WNRWIBZEUKPEGP-BFYDXBDKSA-N 1 0 382.229 2.706 20 0 GFADRO Cn1cc([C@H]([NH2+]C[C@@H](O)c2ccccc2Br)C2(CO)CCC2)cn1 ZINC000843119837 661370118 /nfs/dbraw/zinc/37/01/18/661370118.db2.gz YBGQKQJSHJLKBI-SJORKVTESA-N 1 0 394.313 2.710 20 0 GFADRO Cn1cc([C@@H]([NH2+]C[C@H](O)c2ccccc2Br)C2(CO)CCC2)cn1 ZINC000843119834 661370184 /nfs/dbraw/zinc/37/01/84/661370184.db2.gz YBGQKQJSHJLKBI-DLBZAZTESA-N 1 0 394.313 2.710 20 0 GFADRO Brc1cc(Cc2noc(C[C@@H]3CCC[NH2+]3)n2)cc2c1OCCCO2 ZINC000843202438 661372139 /nfs/dbraw/zinc/37/21/39/661372139.db2.gz DPBOFYHSSROGGV-LBPRGKRZSA-N 1 0 394.269 2.879 20 0 GFADRO Brc1cccc(-c2nc(-c3noc(CC[C@@H]4CC[NH2+]C4)n3)n[nH]2)c1 ZINC000843228966 661374459 /nfs/dbraw/zinc/37/44/59/661374459.db2.gz OTSOCQCQFAITLT-SNVBAGLBSA-N 1 0 389.257 2.826 20 0 GFADRO [NH3+]CC1(c2nc(CNC(=O)c3ccc(Br)cc3)no2)CCCC1 ZINC000843230419 661374548 /nfs/dbraw/zinc/37/45/48/661374548.db2.gz OGMWKIWFEWNXCI-UHFFFAOYSA-N 1 0 379.258 2.533 20 0 GFADRO O=C(CO[C@H]1CCC[NH2+]C1)Nc1ccnn1Cc1c(Cl)cccc1Cl ZINC000843371065 661378765 /nfs/dbraw/zinc/37/87/65/661378765.db2.gz GZFTYBTXVHJKHO-LBPRGKRZSA-N 1 0 383.279 2.945 20 0 GFADRO C[N@H+](CCCO)C1CCN(Cc2cc(Br)cnc2Cl)CC1 ZINC000843394872 661379346 /nfs/dbraw/zinc/37/93/46/661379346.db2.gz DEGRFXHCEGLROL-UHFFFAOYSA-N 1 0 376.726 2.776 20 0 GFADRO CC[C@H]([NH3+])CNC(=O)c1ccccc1N(C)C(=O)c1ccc(Br)o1 ZINC000843482793 661382922 /nfs/dbraw/zinc/38/29/22/661382922.db2.gz CGXFEROAJWSVLC-NSHDSACASA-N 1 0 394.269 2.786 20 0 GFADRO O=C(c1sccc1S(=O)(=O)C(F)F)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000843481958 661382965 /nfs/dbraw/zinc/38/29/65/661382965.db2.gz XSIBHKKXROGHHR-NEPJUHHUSA-N 1 0 392.493 2.596 20 0 GFADRO Cn1nc2cc(Br)ccc2c1C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000843560574 661385264 /nfs/dbraw/zinc/38/52/64/661385264.db2.gz MXDTZRRKJQVJPP-STQMWFEESA-N 1 0 379.302 2.938 20 0 GFADRO CN(CC[NH+]1CCCCC1)C(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000844490065 661423615 /nfs/dbraw/zinc/42/36/15/661423615.db2.gz BRYQRXKWDGEMMM-UHFFFAOYSA-N 1 0 375.441 2.633 20 0 GFADRO CC[C@H]1C[N@H+](C)CCN1CN1CC(c2ccc(Br)cc2)=CC1=O ZINC000844704613 661436134 /nfs/dbraw/zinc/43/61/34/661436134.db2.gz AEJFUSXWKDLFAL-KRWDZBQOSA-N 1 0 378.314 2.658 20 0 GFADRO C[NH+]1CCN(CCCOc2ccc(NC(=O)[C@H]3CC3(Cl)Cl)cc2)CC1 ZINC000844849882 661444810 /nfs/dbraw/zinc/44/48/10/661444810.db2.gz LIBLSFZAJLRADR-MRXNPFEDSA-N 1 0 386.323 2.835 20 0 GFADRO O=C(C[C@@H]1C=CS(=O)(=O)C1)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000844888874 661446282 /nfs/dbraw/zinc/44/62/82/661446282.db2.gz IREPKXZASMCNEA-HNNXBMFYSA-N 1 0 380.535 2.761 20 0 GFADRO Cn1nc(Br)cc1C(=O)N[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000844962744 661450730 /nfs/dbraw/zinc/45/07/30/661450730.db2.gz FCOHSUKWTSYWGP-QGZVFWFLSA-N 1 0 377.286 2.577 20 0 GFADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)NCCC[C@H]2CC2(Cl)Cl)CC1 ZINC000845011336 661453082 /nfs/dbraw/zinc/45/30/82/661453082.db2.gz OSVFYXCWAGXCMA-GJZGRUSLSA-N 1 0 379.376 2.533 20 0 GFADRO CN(C(=O)c1snc(Cl)c1Cl)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000845494016 661474559 /nfs/dbraw/zinc/47/45/59/661474559.db2.gz LQBQBKUMIRRNOK-LLVKDONJSA-N 1 0 377.341 2.690 20 0 GFADRO CN(C(=O)NCCC[C@@H]1CC1(Cl)Cl)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000845675751 661489509 /nfs/dbraw/zinc/48/95/09/661489509.db2.gz KFWIYISSFIBVDY-GDBMZVCRSA-N 1 0 391.387 2.770 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@H]1COC(=O)Cc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000845730359 661494882 /nfs/dbraw/zinc/49/48/82/661494882.db2.gz QKWNNXCOUPSKCH-ZDUSSCGKSA-N 1 0 375.437 2.641 20 0 GFADRO Cc1cc(Br)sc1S(=O)(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000845891203 661504405 /nfs/dbraw/zinc/50/44/05/661504405.db2.gz PYEIREOOSSKGHV-QWRGUYRKSA-N 1 0 381.361 2.970 20 0 GFADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]CC[C@@]1(C)C[C@]1(F)Cl ZINC000846039625 661526643 /nfs/dbraw/zinc/52/66/43/661526643.db2.gz VBJHNWDIOUHPSC-BYCMXARLSA-N 1 0 398.331 2.999 20 0 GFADRO CS/C=C/C(=O)N(C)CCN(CC[NH+]1CCCCC1)C(=O)/C=C/SC ZINC000846129555 661534118 /nfs/dbraw/zinc/53/41/18/661534118.db2.gz OUWCKCHKWDMDOY-BGPOSVGRSA-N 1 0 385.599 2.513 20 0 GFADRO CN(CCC[N@H+](C)Cc1ccncc1)C(=O)c1nc(Br)cs1 ZINC000846170829 661534859 /nfs/dbraw/zinc/53/48/59/661534859.db2.gz BSPOLYHVYWNGEV-UHFFFAOYSA-N 1 0 383.315 2.895 20 0 GFADRO C[NH+](C)CCc1ccccc1NC(=O)C(=O)NCCC[C@@H]1CC1(Cl)Cl ZINC000846179877 661535864 /nfs/dbraw/zinc/53/58/64/661535864.db2.gz GQYAIZVPAKUJCN-CQSZACIVSA-N 1 0 386.323 2.819 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(C(=O)Nc3cccnc3Br)C2)C1 ZINC000846306070 661544193 /nfs/dbraw/zinc/54/41/93/661544193.db2.gz FJIBLTKGVQURMY-SCRDCRAPSA-N 1 0 383.290 2.594 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(C(=O)Nc3ncc(C(F)(F)F)s3)C2)C1 ZINC000846307437 661544219 /nfs/dbraw/zinc/54/42/19/661544219.db2.gz BJHFOBJTNGQGCM-AXFHLTTASA-N 1 0 378.420 2.912 20 0 GFADRO C[C@@H]1CCCN(C(=O)c2ccc(S(=O)(=O)C(F)(F)F)cc2)[C@@H]1CC[NH3+] ZINC000846694076 661561884 /nfs/dbraw/zinc/56/18/84/661561884.db2.gz MFPNWAWVHNUZQZ-BXUZGUMPSA-N 1 0 378.416 2.570 20 0 GFADRO C[C@H]1COCC[N@@H+]1C1CCN(C[C@H](O)c2ccccc2Br)CC1 ZINC000846911506 661570165 /nfs/dbraw/zinc/57/01/65/661570165.db2.gz JGWPYKIRMYZCSM-KSSFIOAISA-N 1 0 383.330 2.668 20 0 GFADRO C[C@@]1(CNC(=O)c2cc(Br)n[nH]2)CC[N@H+](Cc2ccccc2)C1 ZINC000847090911 661575977 /nfs/dbraw/zinc/57/59/77/661575977.db2.gz LQSJURBZECASBC-KRWDZBQOSA-N 1 0 377.286 2.814 20 0 GFADRO C[C@@H](CNC(=O)c1cc(C(F)(F)F)cnc1Cl)N1C[C@@H](C)O[C@@H](C)C1 ZINC000847178023 661579422 /nfs/dbraw/zinc/57/94/22/661579422.db2.gz NBUSZZSVAWFMQG-GARJFASQSA-N 1 0 379.810 2.981 20 0 GFADRO Cc1nc(Cl)c(Cl)cc1C(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000847484725 661594344 /nfs/dbraw/zinc/59/43/44/661594344.db2.gz FIBAHTMXDZYHPA-CQSZACIVSA-N 1 0 385.339 2.937 20 0 GFADRO CCO/C=C/C(=O)NC1CC[NH+](CCOc2ccc(Br)cc2)CC1 ZINC000847508977 661595133 /nfs/dbraw/zinc/59/51/33/661595133.db2.gz QHXRKLSZLBGOEZ-UKTHLTGXSA-N 1 0 397.313 2.959 20 0 GFADRO CCO[C@H](CC[NH+](C)C)CNC(=O)c1cnc(Cl)c(Br)c1 ZINC000847555775 661597743 /nfs/dbraw/zinc/59/77/43/661597743.db2.gz HLIZLYMUVRAQNU-LLVKDONJSA-N 1 0 378.698 2.584 20 0 GFADRO CS[C@@H]1CN(C(=O)c2cnc(F)c(Br)c2)C[C@@H]1[NH+]1CCCC1 ZINC000847724987 661607841 /nfs/dbraw/zinc/60/78/41/661607841.db2.gz IDAYQDWORUJCOK-QWHCGFSZSA-N 1 0 388.306 2.635 20 0 GFADRO Cc1nc(Cl)c(Cl)cc1C(=O)N[C@H]1CC[C@@H]([NH+]2CCN(C)CC2)CC1 ZINC000847736548 661608041 /nfs/dbraw/zinc/60/80/41/661608041.db2.gz JTIDOSFUZNJKOQ-OKILXGFUSA-N 1 0 385.339 2.985 20 0 GFADRO COCC[NH+]1CCC(OC(=O)[C@H](C)Oc2ccccc2Br)CC1 ZINC000847884313 661615117 /nfs/dbraw/zinc/61/51/17/661615117.db2.gz WYSWDVHEOTVXOT-ZDUSSCGKSA-N 1 0 386.286 2.870 20 0 GFADRO O=S(=O)(N[C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccc2nc(Cl)cnc2c1 ZINC000848508114 661658425 /nfs/dbraw/zinc/65/84/25/661658425.db2.gz HTQALEBAFILOJT-HOCLYGCPSA-N 1 0 380.901 2.578 20 0 GFADRO CC(C)(C)Sc1ccc(NC(=O)C(=O)N[C@@H](C[NH3+])C(F)(F)F)cc1F ZINC000848601915 661667460 /nfs/dbraw/zinc/66/74/60/661667460.db2.gz LIQCLJDTNPRJHS-NSHDSACASA-N 1 0 381.395 2.661 20 0 GFADRO COC(=O)Cc1ccccc1C[NH2+]C[C@H](O)c1ccc(Br)cc1 ZINC000848679027 661671941 /nfs/dbraw/zinc/67/19/41/661671941.db2.gz QGAALLOPEGRSHJ-KRWDZBQOSA-N 1 0 378.266 2.988 20 0 GFADRO CSc1nnc(CNC(=[NH2+])NCc2ccc(OC(F)(F)F)cc2)s1 ZINC000849108536 661692342 /nfs/dbraw/zinc/69/23/42/661692342.db2.gz QUBDRPGHEXODBM-UHFFFAOYSA-N 1 0 377.417 2.973 20 0 GFADRO Cc1cccc(CNC(=[NH2+])NCCNC(=O)OC(C)(C)C)c1Br ZINC000849112395 661692817 /nfs/dbraw/zinc/69/28/17/661692817.db2.gz LXYVVPIBGHIIFK-UHFFFAOYSA-N 1 0 385.306 2.896 20 0 GFADRO CC(C)(C)OC(=O)NCCNC(=[NH2+])NCc1cc(Br)ccc1F ZINC000849111116 661692834 /nfs/dbraw/zinc/69/28/34/661692834.db2.gz HMXCIRDMTHHIRS-UHFFFAOYSA-N 1 0 389.269 2.727 20 0 GFADRO COc1ccc(Br)cc1C[C@@H](CO)CNC(=[NH2+])NCC1CCC1 ZINC000849117089 661693285 /nfs/dbraw/zinc/69/32/85/661693285.db2.gz SUSNFRMCGXNYBZ-CYBMUJFWSA-N 1 0 384.318 2.523 20 0 GFADRO CN(CCC[NH+](C)C)CCNC(=S)NCc1cccc(C(F)(F)F)c1 ZINC000849280648 661702185 /nfs/dbraw/zinc/70/21/85/661702185.db2.gz YZXFWGIHWQSIEU-UHFFFAOYSA-N 1 0 376.492 2.553 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@@H](N2C(=O)N[C@H](c3ccccc3Br)C2=O)C1 ZINC000849356011 661709305 /nfs/dbraw/zinc/70/93/05/661709305.db2.gz PXSWXRPOLBCJER-LALPHHSUSA-N 1 0 380.286 2.915 20 0 GFADRO CC[N@H+](CCNS(=O)(=O)Cc1cc(F)ccc1Br)C(C)C ZINC000849386185 661713681 /nfs/dbraw/zinc/71/36/81/661713681.db2.gz ASICVQQFHNBGJG-UHFFFAOYSA-N 1 0 381.311 2.738 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@H](CNS(=O)(=O)c2ccc3nc(Cl)cnc3c2)C1 ZINC000849411598 661718274 /nfs/dbraw/zinc/71/82/74/661718274.db2.gz OURDLDGFKIJEDL-GFCCVEGCSA-N 1 0 382.917 2.682 20 0 GFADRO COC(=O)c1cc(S(=O)(=O)NC[C@H]2CC[N@@H+](C(C)(C)C)C2)ccc1Cl ZINC000849411672 661718673 /nfs/dbraw/zinc/71/86/73/661718673.db2.gz RIUDBOFZGYGCMW-GFCCVEGCSA-N 1 0 388.917 2.525 20 0 GFADRO C[N@H+](CCc1ccccc1)[C@@H]1CCN(S(=O)(=O)c2cccnc2Cl)C1 ZINC000849454689 661728473 /nfs/dbraw/zinc/72/84/73/661728473.db2.gz MSAYHORFTBZRJX-MRXNPFEDSA-N 1 0 379.913 2.673 20 0 GFADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)Oc2cccc(Br)c2)cn1 ZINC000849485999 661733456 /nfs/dbraw/zinc/73/34/56/661733456.db2.gz DJQILMKAYGEBKS-HOTGVXAUSA-N 1 0 378.270 2.824 20 0 GFADRO Cn1cc([C@H]2C[N@H+](C)CC[C@H]2C(=O)Nc2ccc(F)c(Br)c2)cn1 ZINC000849552877 661734362 /nfs/dbraw/zinc/73/43/62/661734362.db2.gz LMKWZVFAPRYHCJ-ZIAGYGMSSA-N 1 0 395.276 2.996 20 0 GFADRO CCCS(=O)(=O)N1CCC([NH2+]Cc2cccc(F)c2OC(F)F)CC1 ZINC000850031875 661763028 /nfs/dbraw/zinc/76/30/28/661763028.db2.gz WZQDBKVPARVMGG-UHFFFAOYSA-N 1 0 380.432 2.721 20 0 GFADRO C[C@@H]([NH2+]Cc1cc(C(F)(F)F)nn1C)c1cccc(NS(C)(=O)=O)c1 ZINC000850093441 661764834 /nfs/dbraw/zinc/76/48/34/661764834.db2.gz DECVYKPGBCHBJZ-SNVBAGLBSA-N 1 0 376.404 2.661 20 0 GFADRO COc1cncc(C[NH2+][C@@H]2CCN(c3cccc(Br)c3)C2=O)c1 ZINC000850280943 661768524 /nfs/dbraw/zinc/76/85/24/661768524.db2.gz MRTDCQCGVQHKBT-MRXNPFEDSA-N 1 0 376.254 2.748 20 0 GFADRO CC(C)(C)OC(=O)N1CCC(CC[NH2+]CC[S@](=O)CC(F)(F)F)CC1 ZINC000850348196 661770737 /nfs/dbraw/zinc/77/07/37/661770737.db2.gz HLJDRKQXVVFRAA-VWLOTQADSA-N 1 0 386.480 2.924 20 0 GFADRO CS(=O)(=O)CC1(CC[NH2+]Cc2c(Cl)nc3cc(Cl)ccn32)CC1 ZINC000850345239 661770852 /nfs/dbraw/zinc/77/08/52/661770852.db2.gz PDQQNGYOHDRMPJ-UHFFFAOYSA-N 1 0 376.309 2.946 20 0 GFADRO Cc1nn(-c2ccccn2)c(Cl)c1C[NH2+]CCC1(CS(C)(=O)=O)CC1 ZINC000850344937 661770876 /nfs/dbraw/zinc/77/08/76/661770876.db2.gz CDIYFNVAHYSSKC-UHFFFAOYSA-N 1 0 382.917 2.534 20 0 GFADRO CSCC1(CC[NH2+]Cc2c(C)nn([C@@H]3CCS(=O)(=O)C3)c2Cl)CC1 ZINC000850356016 661771790 /nfs/dbraw/zinc/77/17/90/661771790.db2.gz NWYOYMIUOZVVRN-CYBMUJFWSA-N 1 0 391.990 2.827 20 0 GFADRO CC(C)(C)OC(=O)N1CC2CC1(C[NH2+]Cc1ccc(S(C)(=O)=O)s1)C2 ZINC000850405130 661775147 /nfs/dbraw/zinc/77/51/47/661775147.db2.gz RUFSBHVAYGMYBH-UHFFFAOYSA-N 1 0 386.539 2.641 20 0 GFADRO C[C@H]([NH2+]C[C@@H](O)CS(=O)(=O)c1cccs1)c1ccc2c(c1)CCCO2 ZINC000850448906 661776785 /nfs/dbraw/zinc/77/67/85/661776785.db2.gz WSTLKGHOJWIKKE-XJKSGUPXSA-N 1 0 381.519 2.559 20 0 GFADRO CCC(C)(C)[C@H](C)[NH2+][C@@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000850503020 661779863 /nfs/dbraw/zinc/77/98/63/661779863.db2.gz ZXHAKJZBSBCIRT-KBPBESRZSA-N 1 0 390.571 2.888 20 0 GFADRO CS(=O)(=O)c1cc(C(=O)N2CCCC[C@H]2[C@@H]2CCC[NH2+]C2)ccc1Cl ZINC000850716599 661788332 /nfs/dbraw/zinc/78/83/32/661788332.db2.gz ZNCQJUJRBGIYER-ZBFHGGJFSA-N 1 0 384.929 2.738 20 0 GFADRO O=C(Nc1ccc([C@@H]2C[NH2+]CCO2)cc1)N[C@@H]1CC[C@@H]2SCCS[C@H]12 ZINC000850764901 661790810 /nfs/dbraw/zinc/79/08/10/661790810.db2.gz HKNAGOHUZLJNDB-LTIDMASMSA-N 1 0 379.551 2.849 20 0 GFADRO CC(C)(C)n1ncc(C(=O)Nc2cnc3c(c2)C[C@@H]([NH3+])CC3)c1Br ZINC000851636456 661827350 /nfs/dbraw/zinc/82/73/50/661827350.db2.gz WRUDGYRMGWGRSW-NSHDSACASA-N 1 0 392.301 2.864 20 0 GFADRO [NH3+]C[C@@H]1CCCc2ccc(C(=O)N3CCn4ncc(Br)c4C3)cc21 ZINC000851647648 661827750 /nfs/dbraw/zinc/82/77/50/661827750.db2.gz IUHLYTVPCZVAHG-AWEZNQCLSA-N 1 0 389.297 2.680 20 0 GFADRO CCOP(=O)(OCC)[C@H](O)C[NH+]1CCC(OC[C@H]2CCCCO2)CC1 ZINC000851803588 661833240 /nfs/dbraw/zinc/83/32/40/661833240.db2.gz SISGPKAMPPKVJC-SJORKVTESA-N 1 0 379.434 2.621 20 0 GFADRO CCOP(=O)(OCC)[C@@H](O)C[NH+]1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000851823045 661835173 /nfs/dbraw/zinc/83/51/73/661835173.db2.gz DFZVIROCGMRITC-CQSZACIVSA-N 1 0 380.422 2.560 20 0 GFADRO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)CCn3cnc(Br)n3)C2)s1 ZINC000852022931 661849605 /nfs/dbraw/zinc/84/96/05/661849605.db2.gz OOVJXYDSNPQFKS-AWEZNQCLSA-N 1 0 398.374 2.864 20 0 GFADRO COC(=O)C[C@](C)([NH2+]C[C@@H](O)c1ccccn1)c1ccc(Br)cc1 ZINC000852045218 661850670 /nfs/dbraw/zinc/85/06/70/661850670.db2.gz UKBLNKWTYVILFH-AEFFLSMTSA-N 1 0 393.281 2.946 20 0 GFADRO CCOP(=O)(OCC)[C@H](O)C[N@@H+]1C[C@H](C)C[C@@H](C(=O)OC(C)(C)C)C1 ZINC000852183861 661856075 /nfs/dbraw/zinc/85/60/75/661856075.db2.gz AACWUAJSRXFPKN-KFWWJZLASA-N 1 0 379.434 2.871 20 0 GFADRO OCC1([C@@H]([NH2+]CCn2cnc(Br)n2)c2ccccc2)CC=CC1 ZINC000852207959 661856384 /nfs/dbraw/zinc/85/63/84/661856384.db2.gz QKUVJPQVSHWVAG-HNNXBMFYSA-N 1 0 377.286 2.700 20 0 GFADRO OC[C@H]([NH2+]C[C@@H](O)COc1ccc(Cl)cc1Br)C1CCC1 ZINC000852321426 661860335 /nfs/dbraw/zinc/86/03/35/661860335.db2.gz UZOZJQYMSYUCER-OCCSQVGLSA-N 1 0 378.694 2.593 20 0 GFADRO COC[C@@H]([NH2+]C[C@@](C)(O)c1ccc(Br)cc1F)C1CCOCC1 ZINC000852321171 661860310 /nfs/dbraw/zinc/86/03/10/661860310.db2.gz JKXBIPUGKMFHBB-IAGOWNOFSA-N 1 0 390.293 2.827 20 0 GFADRO Cc1nnsc1C[NH+]1CCC([C@H]2CCCN(C(=O)C(F)(F)F)C2)CC1 ZINC000852604321 661867727 /nfs/dbraw/zinc/86/77/27/661867727.db2.gz PPQJAJHXZUEISQ-ZDUSSCGKSA-N 1 0 376.448 2.859 20 0 GFADRO C[C@](O)(C[N@@H+]1CC[C@H](CN2CCCC2=O)C1)c1ccc(Br)cc1F ZINC000852678050 661870974 /nfs/dbraw/zinc/87/09/74/661870974.db2.gz AQXHBZDBMGIJHR-UGSOOPFHSA-N 1 0 399.304 2.740 20 0 GFADRO CC(C)(C)OC(=O)NC[C@](C)(O)C[NH2+][C@H](CO)c1cccc(Cl)c1Cl ZINC000852678382 661870987 /nfs/dbraw/zinc/87/09/87/661870987.db2.gz CQVZHEJMELVGRH-CXAGYDPISA-N 1 0 393.311 2.892 20 0 GFADRO COC(=O)c1ccc(Br)cc1CN1CCO[C@H](CCC[NH+](C)C)C1 ZINC000852762798 661873800 /nfs/dbraw/zinc/87/38/00/661873800.db2.gz WUFRQQHJLYYRHG-MRXNPFEDSA-N 1 0 399.329 2.778 20 0 GFADRO [NH3+]C[C@H]1CCCC[C@H]1NC(=O)c1cnn(-c2ccccc2)c1Br ZINC000852798633 661874652 /nfs/dbraw/zinc/87/46/52/661874652.db2.gz MSYFZUHWGHRVDN-IUODEOHRSA-N 1 0 377.286 2.882 20 0 GFADRO O=C(C=C1CC[NH2+]CC1)NCc1cc(Br)ccc1OC(F)F ZINC000852828305 661875450 /nfs/dbraw/zinc/87/54/50/661875450.db2.gz HVPOHOAGTJJAFX-UHFFFAOYSA-N 1 0 375.213 2.977 20 0 GFADRO CCO[C@@H]1C[C@@]([NH3+])(C(=O)Nc2nc(-c3ncc(Cl)n3C)cs2)C1(C)C ZINC000852844940 661875708 /nfs/dbraw/zinc/87/57/08/661875708.db2.gz OMXDGDSHXAPLQA-QLJPJBMISA-N 1 0 383.905 2.668 20 0 GFADRO C[C@@H]([NH2+]C1CC1)C(=O)NCc1cc(Cl)ccc1I ZINC000852844571 661875773 /nfs/dbraw/zinc/87/57/73/661875773.db2.gz WWCXBHIMAQMCTQ-MRVPVSSYSA-N 1 0 378.641 2.701 20 0 GFADRO C[C@]12CCN(C(=O)[C@]3(C)CCC[NH2+]C3)C[C@H]1C2(Br)Br ZINC000852902004 661877035 /nfs/dbraw/zinc/87/70/35/661877035.db2.gz ZCOACORMBQFZHR-RTXFEEFZSA-N 1 0 394.151 2.731 20 0 GFADRO [NH3+]C[C@@H]1CC(C(=O)N2CCc3sccc3[C@H]2c2ccc(Cl)cc2)=NO1 ZINC000852910766 661877059 /nfs/dbraw/zinc/87/70/59/661877059.db2.gz IQYCHUTVEZZKBI-SUMWQHHRSA-N 1 0 375.881 2.979 20 0 GFADRO Cn1cc(CC(=O)O[C@H](C[NH+](C)C)c2cc(F)c(F)c(F)c2)c(Cl)n1 ZINC000853213151 661885157 /nfs/dbraw/zinc/88/51/57/661885157.db2.gz IIARYYOZVZDZQC-CYBMUJFWSA-N 1 0 375.778 2.879 20 0 GFADRO OC1CC[NH+](Cc2ccc(CNc3ncnc(F)c3Br)cc2)CC1 ZINC000853272157 661886638 /nfs/dbraw/zinc/88/66/38/661886638.db2.gz PHWUPNPBJNVHHX-UHFFFAOYSA-N 1 0 395.276 2.947 20 0 GFADRO [NH3+]CCCCCCNC(=O)C(=O)Nc1ccc(OC(F)(F)F)cc1Cl ZINC000853329017 661887676 /nfs/dbraw/zinc/88/76/76/661887676.db2.gz UPWKIGLKQHEBQP-UHFFFAOYSA-N 1 0 381.782 2.812 20 0 GFADRO O=C(N1CCC[C@@H]([C@@H]2CCCC[N@@H+]2Cn2cc[nH]c2=S)C1)C(F)(F)F ZINC000853547602 661891919 /nfs/dbraw/zinc/89/19/19/661891919.db2.gz VMUNFRQMQBXGEE-OLZOCXBDSA-N 1 0 376.448 2.785 20 0 GFADRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1c1nc(Cl)c(C(F)(F)F)cc1Cl ZINC000853708582 661898013 /nfs/dbraw/zinc/89/80/13/661898013.db2.gz GCDVYCCYKZKNFO-QMMMGPOBSA-N 1 0 385.217 2.963 20 0 GFADRO C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)NC[C@H]2CSCCS2)C1 ZINC000853842452 661903641 /nfs/dbraw/zinc/90/36/41/661903641.db2.gz BQOZMALWVXSXFS-MSOLQXFVSA-N 1 0 379.595 2.793 20 0 GFADRO C[NH+](C)C1CCC(NC(=O)N2CC(O)(c3ccc(Br)cc3)C2)CC1 ZINC000854182978 661918114 /nfs/dbraw/zinc/91/81/14/661918114.db2.gz WNWSNPVUSGHYLO-UHFFFAOYSA-N 1 0 396.329 2.535 20 0 GFADRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@]3(C)CC3(Br)Br)C2)C1 ZINC000854659622 661946207 /nfs/dbraw/zinc/94/62/07/661946207.db2.gz OSJXPFYLEYEEEV-QWHCGFSZSA-N 1 0 394.151 2.827 20 0 GFADRO CC[NH+]1CCN(c2ccc(NC(=O)c3cc(Br)[nH]n3)c(C)c2)CC1 ZINC000854264859 661921372 /nfs/dbraw/zinc/92/13/72/661921372.db2.gz BNPFYOQPOZOECS-UHFFFAOYSA-N 1 0 392.301 2.875 20 0 GFADRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)c2cc(Br)[nH]n2)c1 ZINC000854477626 661936096 /nfs/dbraw/zinc/93/60/96/661936096.db2.gz LTSSDJJUQCYUIO-UHFFFAOYSA-N 1 0 394.273 2.705 20 0 GFADRO O=C(NC[C@@H]1CCC[N@H+]1CCCO)C(F)(F)c1ccc(Br)cc1 ZINC000854689983 661947825 /nfs/dbraw/zinc/94/78/25/661947825.db2.gz NEZSYRZSBFEGGP-AWEZNQCLSA-N 1 0 391.256 2.504 20 0 GFADRO C[C@]1(C(=O)NCc2ccc3c[nH+]cn3c2)CC1(Br)Br ZINC000854909013 661960649 /nfs/dbraw/zinc/96/06/49/661960649.db2.gz LYJIAEBIWXKXDC-GFCCVEGCSA-N 1 0 387.075 2.847 20 0 GFADRO O=C(NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1cc(Cl)ncc1Cl ZINC000855402842 661990474 /nfs/dbraw/zinc/99/04/74/661990474.db2.gz IHLCNYPTCZIRJA-AWEZNQCLSA-N 1 0 380.275 2.885 20 0 GFADRO O=C(NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1nc(Cl)ccc1Cl ZINC000855400363 661990485 /nfs/dbraw/zinc/99/04/85/661990485.db2.gz ATYRJKVGQAWERI-CQSZACIVSA-N 1 0 380.275 2.885 20 0 GFADRO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)c1csc(I)n1 ZINC000855899204 662011939 /nfs/dbraw/zinc/01/19/39/662011939.db2.gz HZUDKGIMIMQDBL-SNVBAGLBSA-N 1 0 393.294 2.598 20 0 GFADRO CC[N@H+](C)Cc1cc(O[C@@H]2CCN(CC(F)(F)Br)C2)ccn1 ZINC000856583580 662037186 /nfs/dbraw/zinc/03/71/86/662037186.db2.gz KOCWFYWDNJKUBM-CQSZACIVSA-N 1 0 378.261 2.974 20 0 GFADRO CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)c1cnc(Br)cn1 ZINC000856733628 662039678 /nfs/dbraw/zinc/03/96/78/662039678.db2.gz DOVBJEDNSBSGRU-UHFFFAOYSA-N 1 0 396.377 2.872 20 0 GFADRO C[N@H+](CCCNC(=O)c1c(Br)nc2n1CCOC2)C1CCCCC1 ZINC000856871941 662048659 /nfs/dbraw/zinc/04/86/59/662048659.db2.gz XJHAHDYEPZAWQU-UHFFFAOYSA-N 1 0 399.333 2.560 20 0 GFADRO C[C@@H](NC(=O)N1CC(O)(c2cccc(Br)c2)C1)C(C)(C)C[NH+](C)C ZINC000856877009 662048904 /nfs/dbraw/zinc/04/89/04/662048904.db2.gz MIBUNKDXTMDNCE-CYBMUJFWSA-N 1 0 398.345 2.638 20 0 GFADRO Cc1ccc(C[NH+](C)C)cc1NC(=O)c1c(Br)nc2n1CCOC2 ZINC000857711852 662088153 /nfs/dbraw/zinc/08/81/53/662088153.db2.gz CVIWJHISMRVQOB-UHFFFAOYSA-N 1 0 393.285 2.798 20 0 GFADRO COc1ccc(C[C@H](CO)C[NH2+][C@H]2CCCc3cn[nH]c32)cc1Br ZINC000857868767 662092765 /nfs/dbraw/zinc/09/27/65/662092765.db2.gz BUEMOARUMXNYJU-BBRMVZONSA-N 1 0 394.313 2.999 20 0 GFADRO C[NH+](C)[C@H]1CCc2cc(Br)ccc2N(C(=O)c2ccncn2)C1 ZINC000857880729 662093389 /nfs/dbraw/zinc/09/33/89/662093389.db2.gz MSYSMVKYGWUCBX-AWEZNQCLSA-N 1 0 375.270 2.762 20 0 GFADRO COCO[C@H](C)c1cc(F)c(C[NH2+]CCn2cncn2)cc1Br ZINC000858112459 662099278 /nfs/dbraw/zinc/09/92/78/662099278.db2.gz NFVCMWYFBSBXIO-LLVKDONJSA-N 1 0 387.253 2.651 20 0 GFADRO COc1ccccc1N1CC[C@H](C[NH2+]Cc2cn(C)nc2Br)C1 ZINC000858119564 662099779 /nfs/dbraw/zinc/09/97/79/662099779.db2.gz UBMAQXAUZRDUAH-CYBMUJFWSA-N 1 0 379.302 2.807 20 0 GFADRO Cc1cc(CNCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)c(Br)cc1F ZINC000858126608 662100007 /nfs/dbraw/zinc/10/00/07/662100007.db2.gz CRQYMXDKQCCFLD-CYBMUJFWSA-N 1 0 386.309 2.574 20 0 GFADRO O=C(Nc1ccc(Br)cn1)[C@@H]1CCCN(c2cc[nH+]c(CO)c2)C1 ZINC000858354195 662109552 /nfs/dbraw/zinc/10/95/52/662109552.db2.gz HHUJFDIQPXJCSQ-GFCCVEGCSA-N 1 0 391.269 2.587 20 0 GFADRO C[C@H]1CCCC[N@@H+]1CCNC(=O)c1cc(Br)c2ncc(C=O)n2c1 ZINC000858499672 662113657 /nfs/dbraw/zinc/11/36/57/662113657.db2.gz LTAABXSGEDKQDB-LBPRGKRZSA-N 1 0 393.285 2.514 20 0 GFADRO [NH3+]C[C@H]1CN(S(=O)(=O)c2cccc3c2CCCC3)CC[C@H]1C(F)(F)F ZINC000858623699 662117091 /nfs/dbraw/zinc/11/70/91/662117091.db2.gz NJEXNNNUCYOBHG-DZGCQCFKSA-N 1 0 376.444 2.713 20 0 GFADRO C[C@]12C[NH2+]C[C@@]1(C)CN(S(=O)(=O)/C=C\c1ccc(Br)cc1)C2 ZINC000858636321 662117592 /nfs/dbraw/zinc/11/75/92/662117592.db2.gz KRPOKSBPCFGVRP-CMKSSICZSA-N 1 0 385.327 2.681 20 0 GFADRO COc1cccc(C[NH+]2CCC(NC(=O)[C@@H]3C[C@@]3(C)Br)CC2)c1 ZINC000858653139 662118155 /nfs/dbraw/zinc/11/81/55/662118155.db2.gz NRCRTXGNNYKJSJ-FUHWJXTLSA-N 1 0 381.314 2.949 20 0 GFADRO O=C(NC[C@@H]1CC[N@@H+]1C1CCCCC1)N1CCn2ncc(Br)c2C1 ZINC000858722597 662120189 /nfs/dbraw/zinc/12/01/89/662120189.db2.gz PJJYEVJMSUKRLU-AWEZNQCLSA-N 1 0 396.333 2.578 20 0 GFADRO C[N@@H+]1CCCC[C@H](CNC(=O)NC[C@@H](O)c2ccccc2Br)C1 ZINC000858766505 662122300 /nfs/dbraw/zinc/12/23/00/662122300.db2.gz NVWNCZBAKDLATN-CZUORRHYSA-N 1 0 384.318 2.514 20 0 GFADRO C[NH+]1CCN(c2ccc(-c3noc([C@H]4C[C@]4(C)Br)n3)nc2)CC1 ZINC000858799207 662123756 /nfs/dbraw/zinc/12/37/56/662123756.db2.gz CPSYVBLANVIYSD-WBMJQRKESA-N 1 0 378.274 2.524 20 0 GFADRO CC[NH+]1CCN([C@H](C)CNC(=O)OCc2ccc(Br)cc2)CC1 ZINC000859120812 662138921 /nfs/dbraw/zinc/13/89/21/662138921.db2.gz IVULXFMQRSGRFL-CQSZACIVSA-N 1 0 384.318 2.701 20 0 GFADRO COC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H]([NH+](C)C)CC2)cc1Cl ZINC000859129754 662139537 /nfs/dbraw/zinc/13/95/37/662139537.db2.gz BZLZRMJZDCXHPD-LBPRGKRZSA-N 1 0 389.905 2.623 20 0 GFADRO COC1CC(C[N@@H+]2CCC[C@@H](C(=O)Nc3ccc(Br)cn3)C2)C1 ZINC000859172215 662142112 /nfs/dbraw/zinc/14/21/12/662142112.db2.gz PXNHPBCLYGSIOE-JVWICGRDSA-N 1 0 382.302 2.920 20 0 GFADRO CC[C@H](C(=O)NCCN1CC[NH+](CC)CC1)c1ccc(Br)cc1 ZINC000859355109 662155811 /nfs/dbraw/zinc/15/58/11/662155811.db2.gz GWFDBYKDXBRNFI-KRWDZBQOSA-N 1 0 382.346 2.696 20 0 GFADRO CC[C@H](C(=O)NCCC[NH+]1CCC(O)CC1)c1ccc(Br)cc1 ZINC000859460336 662163579 /nfs/dbraw/zinc/16/35/79/662163579.db2.gz VZIXITRYUVJOOL-KRWDZBQOSA-N 1 0 383.330 2.906 20 0 GFADRO O=c1ccc([C@@H]2OCC[C@H]2[NH2+]C[C@@H](O)c2cccc(Br)c2)c[nH]1 ZINC000859877410 662177377 /nfs/dbraw/zinc/17/73/77/662177377.db2.gz VRTCZPRAJRJAGH-INMHGKMJSA-N 1 0 379.254 2.703 20 0 GFADRO CCC1([NH+]2CCOCC2)CCN(C(=O)Nc2ccc(Br)nc2)CC1 ZINC000860789426 662215927 /nfs/dbraw/zinc/21/59/27/662215927.db2.gz CTDWVBPKMJVTDL-UHFFFAOYSA-N 1 0 397.317 2.953 20 0 GFADRO CC[C@H](C(=O)N1CCC[C@](O)(C[NH+](C)C)C1)c1ccc(Br)cc1 ZINC000861354859 662242153 /nfs/dbraw/zinc/24/21/53/662242153.db2.gz CZZBIQCYAHWKCY-WMZOPIPTSA-N 1 0 383.330 2.858 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)N[C@@H]2CC[C@@H]3SCCS[C@@H]23)CC[C@H]1C(F)(F)F ZINC000861615773 662251146 /nfs/dbraw/zinc/25/11/46/662251146.db2.gz WSEAPCWMXDWYHT-KVSVUVNWSA-N 1 0 383.505 2.535 20 0 GFADRO CCC[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2cccc(SC(F)(F)F)c2)C1 ZINC000861909790 662263389 /nfs/dbraw/zinc/26/33/89/662263389.db2.gz PMQRRRQGSGPCTI-LBPRGKRZSA-N 1 0 375.416 2.838 20 0 GFADRO O=C(C[C@@H](O)c1cc(Cl)cc(Cl)c1)N1CCC([NH+]2CCOCC2)CC1 ZINC000862217048 662274166 /nfs/dbraw/zinc/27/41/66/662274166.db2.gz TYEIDUWFWQHVIS-QGZVFWFLSA-N 1 0 387.307 2.740 20 0 GFADRO C[S@](=O)[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CC(F)(F)CN2C(=O)OC(C)(C)C)C1 ZINC000862410796 662286144 /nfs/dbraw/zinc/28/61/44/662286144.db2.gz ITLOUZQNNYXUJW-BIOVLVDOSA-N 1 0 380.501 2.910 20 0 GFADRO CNS(=O)(=O)C[C@@H]1CCCN(Cc2cc(C)c(F)cc2Br)C1 ZINC000862550617 662291025 /nfs/dbraw/zinc/29/10/25/662291025.db2.gz FWZCAOBDEKAGQQ-GFCCVEGCSA-N 1 0 393.322 2.658 20 0 GFADRO Cc1nn(-c2ccccc2Br)cc1C[N@@H+]1C[C@@H]2COC(=O)[C@@H]2C1 ZINC000862546474 662291106 /nfs/dbraw/zinc/29/11/06/662291106.db2.gz MIHNOLCHJRNHDG-ZIAGYGMSSA-N 1 0 376.254 2.548 20 0 GFADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(F)(F)c1cc(Cl)ccc1Cl ZINC000862648659 662296730 /nfs/dbraw/zinc/29/67/30/662296730.db2.gz ATKZMSKUJRYZQG-ZDUSSCGKSA-N 1 0 394.249 2.541 20 0 GFADRO O=C(NC[C@H]1CC[N@@H+]1C1CCCC1)c1c(Br)nc2n1CCCC2 ZINC000863032409 662308991 /nfs/dbraw/zinc/30/89/91/662308991.db2.gz OFOKSIWDHBVCTP-CYBMUJFWSA-N 1 0 381.318 2.729 20 0 GFADRO CCOC(=O)NCCC(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000863038638 662309289 /nfs/dbraw/zinc/30/92/89/662309289.db2.gz XLPOHRNIQSKJGW-AWEZNQCLSA-N 1 0 376.284 2.849 20 0 GFADRO C[C@H]([NH3+])CN(C)[C@@H](C)C(=O)Nc1ccc(Br)cc1Br ZINC000863566783 662336892 /nfs/dbraw/zinc/33/68/92/662336892.db2.gz PTVAYDGXULBVTD-IUCAKERBSA-N 1 0 393.123 2.818 20 0 GFADRO C[C@H]1CC[C@H](C)[NH+]1CC(=O)N1CC[C@@H](O)[C@H]1c1ccc(Br)cc1 ZINC000863580303 662338664 /nfs/dbraw/zinc/33/86/64/662338664.db2.gz KSCUHDGVVLVPQH-HINSOXJESA-N 1 0 381.314 2.956 20 0 GFADRO C[C@@]1(Cc2noc(-c3nnn([C@@H]4CC[NH2+]C4)c3C(F)F)n2)CC1(Cl)Cl ZINC000863678368 662343845 /nfs/dbraw/zinc/34/38/45/662343845.db2.gz SUAAESLBCRIUFD-FUXBKTLASA-N 1 0 393.225 2.927 20 0 GFADRO C[C@]1(C(=O)N[C@H]2[C@H]3CCC[NH2+][C@H]3C2(C)C)CC1(Br)Br ZINC000864089912 662354389 /nfs/dbraw/zinc/35/43/89/662354389.db2.gz VKCYKRNJBQBLES-MPXOCVNLSA-N 1 0 394.151 2.775 20 0 GFADRO Cc1nn(C)c(Cl)c1Cn1cc([C@@H]([NH3+])c2ccc(Br)cc2)nn1 ZINC000864637494 662382101 /nfs/dbraw/zinc/38/21/01/662382101.db2.gz OGKMFHGBSKAECO-AWEZNQCLSA-N 1 0 395.692 2.832 20 0 GFADRO C[C@@H]1C[NH+](CCCNC(=O)c2nc(Br)sc2Cl)C[C@@H](C)O1 ZINC000864667928 662382898 /nfs/dbraw/zinc/38/28/98/662382898.db2.gz IZNWEBICXSVNDL-RKDXNWHRSA-N 1 0 396.738 2.788 20 0 GFADRO C[NH+](C)C[C@@H]1CCCN1C(=O)c1cc(Br)ncc1Br ZINC000865127079 662400198 /nfs/dbraw/zinc/40/01/98/662400198.db2.gz ZOSIDRFDPGYNEY-VIFPVBQESA-N 1 0 391.107 2.773 20 0 GFADRO CC[NH+]1CCC(N2C(=O)[C@@H](c3ccc(Br)s3)N(C)C2=O)CC1 ZINC000865296894 662410270 /nfs/dbraw/zinc/41/02/70/662410270.db2.gz IJAIQXFXRUTSMM-CYBMUJFWSA-N 1 0 386.315 2.930 20 0 GFADRO C[C@@H](CN1C(=O)[C@H](c2ccc(Br)s2)N(C)C1=O)[N@H+](C)C1CC1 ZINC000865301994 662411302 /nfs/dbraw/zinc/41/13/02/662411302.db2.gz MWOYBXVEVVBHAO-ZANVPECISA-N 1 0 386.315 2.928 20 0 GFADRO C[NH+]1CCC(NC(=O)CSc2nc3cc(Br)ccc3o2)CC1 ZINC000865373002 662416734 /nfs/dbraw/zinc/41/67/34/662416734.db2.gz BLGMROJJJRWHFX-UHFFFAOYSA-N 1 0 384.299 2.893 20 0 GFADRO Cc1ccc([C@@H](C[NH2+]Cc2cccnc2Br)N2CCOCC2)o1 ZINC000865404082 662418961 /nfs/dbraw/zinc/41/89/61/662418961.db2.gz AOLXRNXGMQLJFF-OAHLLOKOSA-N 1 0 380.286 2.909 20 0 GFADRO COc1cc(OC)cc([C@H](O)C[NH2+]Cc2cc(Br)cnc2OC)c1 ZINC000865468355 662423321 /nfs/dbraw/zinc/42/33/21/662423321.db2.gz GRYMGZCXDODDHN-MRXNPFEDSA-N 1 0 397.269 2.693 20 0 GFADRO Cc1ccnc(CNc2cc(C(N)=O)ccc2C[NH+](C)C)c1Br ZINC000865504470 662425512 /nfs/dbraw/zinc/42/55/12/662425512.db2.gz PKOBVHMVESYKSY-UHFFFAOYSA-N 1 0 377.286 2.925 20 0 GFADRO CC(C)(C)c1csc(C[NH2+]CCOc2ccc(NS(C)(=O)=O)cc2)n1 ZINC000865520256 662426421 /nfs/dbraw/zinc/42/64/21/662426421.db2.gz ZEAVVUZXZUOZRD-UHFFFAOYSA-N 1 0 383.539 2.981 20 0 GFADRO CCCn1cc(C[NH2+]CCc2cn3cc(Br)cc(C)c3n2)nn1 ZINC000865528457 662426851 /nfs/dbraw/zinc/42/68/51/662426851.db2.gz ZKSUZQMUQVNLQG-UHFFFAOYSA-N 1 0 377.290 2.739 20 0 GFADRO COc1ncc(Br)cc1C[NH2+][C@@H]1CCO[C@H](c2ccnn2C)C1 ZINC000865591752 662431040 /nfs/dbraw/zinc/43/10/40/662431040.db2.gz KPMCTZHGHTUKCG-HIFRSBDPSA-N 1 0 381.274 2.596 20 0 GFADRO COc1ccc(C[C@@H](CO)C[NH2+]Cc2cn(C3CC3)cn2)cc1Br ZINC000865592004 662431132 /nfs/dbraw/zinc/43/11/32/662431132.db2.gz QFHXTDAQVXBHQW-CQSZACIVSA-N 1 0 394.313 2.930 20 0 GFADRO CC(C)(C)OC(=O)N1CCOC[C@@H]1C[NH2+]Cc1cccnc1Br ZINC000865643605 662433853 /nfs/dbraw/zinc/43/38/53/662433853.db2.gz OZFMCFYNHIDSNK-ZDUSSCGKSA-N 1 0 386.290 2.570 20 0 GFADRO CC(C)(O)C[N@@H+]1CC[C@H](NCc2nc(-c3cccc(Br)c3)c[nH]2)C1 ZINC000865656513 662434495 /nfs/dbraw/zinc/43/44/95/662434495.db2.gz ZRXDQTBHADZKFF-HNNXBMFYSA-N 1 0 393.329 2.774 20 0 GFADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)c1ccc2ccc(Br)cc2c1 ZINC000865706279 662437622 /nfs/dbraw/zinc/43/76/22/662437622.db2.gz RGHNFZIQSPWWSL-KRWDZBQOSA-N 1 0 376.298 2.578 20 0 GFADRO Brc1cc(C[NH2+]C[C@H]2CC3(CO2)CCOCC3)cc2c1OCO2 ZINC000865780804 662443106 /nfs/dbraw/zinc/44/31/06/662443106.db2.gz ASGZFLGEBITHDO-CYBMUJFWSA-N 1 0 384.270 2.853 20 0 GFADRO Brc1ccc2c(c1)[C@@H]1[C@H](C2)[C@@H]1[NH2+]Cc1cn(C[C@H]2CCOC2)nn1 ZINC000865835510 662446466 /nfs/dbraw/zinc/44/64/66/662446466.db2.gz SUUWJKJIENBKDS-KJGCIYADSA-N 1 0 389.297 2.505 20 0 GFADRO CC[NH+]1CCN(c2ccc(NC(=O)c3cc(Br)no3)cc2)CC1 ZINC000865896387 662449816 /nfs/dbraw/zinc/44/98/16/662449816.db2.gz IAXMVNSOVPJJFV-UHFFFAOYSA-N 1 0 379.258 2.831 20 0 GFADRO NS(=O)(=O)c1cc(Br)ccc1N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000865918138 662451402 /nfs/dbraw/zinc/45/14/02/662451402.db2.gz BKCWWNIOLFCKTD-OCCSQVGLSA-N 1 0 388.331 2.525 20 0 GFADRO CC[NH+](CC)C[C@H]1CCN(C(=O)c2cc(Br)cn3ccnc23)C1 ZINC000866181438 662463363 /nfs/dbraw/zinc/46/33/63/662463363.db2.gz GJPAUWDSNDYIIQ-CYBMUJFWSA-N 1 0 379.302 2.901 20 0 GFADRO C[NH+]1CCC(O)(CNC(=O)c2ccc(Cl)cc2NCC(F)(F)F)CC1 ZINC000866222831 662465139 /nfs/dbraw/zinc/46/51/39/662465139.db2.gz YMXSZRVFUBVWQY-UHFFFAOYSA-N 1 0 379.810 2.501 20 0 GFADRO C[C@H]([NH2+]C[C@@]12COC(=O)N1CCOC2)c1cc(Cl)ccc1OC(F)F ZINC000866526069 662478971 /nfs/dbraw/zinc/47/89/71/662478971.db2.gz WQBAPBYUZWPTGN-MGPLVRAMSA-N 1 0 376.787 2.813 20 0 GFADRO CC(C)(C[NH2+][C@@H]1CCCOc2cc(Br)ccc21)CS(N)(=O)=O ZINC000866570923 662480834 /nfs/dbraw/zinc/48/08/34/662480834.db2.gz RYOSNIQVNFIKMF-CYBMUJFWSA-N 1 0 391.331 2.567 20 0 GFADRO CC(C)(C[NH2+][C@H]1CCCOc2cc(Br)ccc21)CS(N)(=O)=O ZINC000866570924 662480871 /nfs/dbraw/zinc/48/08/71/662480871.db2.gz RYOSNIQVNFIKMF-ZDUSSCGKSA-N 1 0 391.331 2.567 20 0 GFADRO Brc1cccc2c1C[C@@H]([NH2+]C1CCN(c3cnccn3)CC1)CO2 ZINC000866594499 662482973 /nfs/dbraw/zinc/48/29/73/662482973.db2.gz GMDACIWVEBGFQD-CQSZACIVSA-N 1 0 389.297 2.801 20 0 GFADRO C/C(=C\c1ccc(Br)o1)C(=O)NCC1(O)CC[NH+](C(C)C)CC1 ZINC000866613309 662484008 /nfs/dbraw/zinc/48/40/08/662484008.db2.gz ASCOFHJKINAGEB-JLHYYAGUSA-N 1 0 385.302 2.797 20 0 GFADRO O=S(=O)(c1cc(Cl)cnc1Cl)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000866766350 662496094 /nfs/dbraw/zinc/49/60/94/662496094.db2.gz OZYSHXZGCWIWOO-VXGBXAGGSA-N 1 0 378.325 2.789 20 0 GFADRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2cc(Br)cn3ccnc23)C1 ZINC000866777010 662497450 /nfs/dbraw/zinc/49/74/50/662497450.db2.gz NPTJNJPGKNOGFQ-WFASDCNBSA-N 1 0 377.286 2.653 20 0 GFADRO [NH3+]C[C@H]1CN(S(=O)(=O)Cc2ccc(F)cc2Cl)CC[C@H]1C(F)(F)F ZINC000866778939 662497668 /nfs/dbraw/zinc/49/76/68/662497668.db2.gz GEZQYKNFJDZHHF-CMPLNLGQSA-N 1 0 388.814 2.768 20 0 GFADRO [NH3+]Cc1cccc2c1N(S(=O)(=O)c1cc3nc(Cl)ncc3s1)CCC2 ZINC000866779703 662497675 /nfs/dbraw/zinc/49/76/75/662497675.db2.gz RZWRURNVLVUODN-UHFFFAOYSA-N 1 0 394.909 2.945 20 0 GFADRO CC(=O)c1cc(S(=O)(=O)N2CCCCC[C@@H]([NH3+])C2)ccc1Br ZINC000866783312 662498135 /nfs/dbraw/zinc/49/81/35/662498135.db2.gz GFTTVMHDJIVRAW-GFCCVEGCSA-N 1 0 389.315 2.544 20 0 GFADRO COc1cc(OC)c(S(=O)(=O)N2CC[C@](C[NH3+])(C(C)(C)C)C2)cc1Cl ZINC000866814820 662501418 /nfs/dbraw/zinc/50/14/18/662501418.db2.gz VHGAKHKOXKULAL-QGZVFWFLSA-N 1 0 390.933 2.743 20 0 GFADRO O=S(=O)(c1csc(-c2ccc(Cl)cc2)n1)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000866828593 662502416 /nfs/dbraw/zinc/50/24/16/662502416.db2.gz XDPBVKXNDPDXNC-KGLIPLIRSA-N 1 0 383.926 2.979 20 0 GFADRO C[C@@]1(CS(=O)(=O)NCC2CCN(c3cc[nH+]cc3)CC2)CC1(Cl)Cl ZINC000867051864 662519358 /nfs/dbraw/zinc/51/93/58/662519358.db2.gz GXHIMAOKPKJGCW-HNNXBMFYSA-N 1 0 392.352 2.801 20 0 GFADRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1S(=O)(=O)c1cc2nc(Cl)ncc2s1 ZINC000867261906 662536766 /nfs/dbraw/zinc/53/67/66/662536766.db2.gz ONBIHBOSMFIWFZ-WDEREUQCSA-N 1 0 386.930 2.592 20 0 GFADRO COc1ccc2nc(Cl)ccc2c1S(=O)(=O)N1CC[C@H]([NH+](C)C)[C@H]1C ZINC000867310013 662541331 /nfs/dbraw/zinc/54/13/31/662541331.db2.gz VCNKGFSTXGMSKI-RISCZKNCSA-N 1 0 383.901 2.610 20 0 GFADRO CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cc(Br)cnc1Cl ZINC000867349237 662544056 /nfs/dbraw/zinc/54/40/56/662544056.db2.gz LUYRAINDQXWFOD-UHFFFAOYSA-N 1 0 396.738 2.602 20 0 GFADRO COc1cc(OC)c(S(=O)(=O)NC2CCC(C)([NH+](C)C)CC2)cc1Cl ZINC000867742573 662571596 /nfs/dbraw/zinc/57/15/96/662571596.db2.gz QCNKYLCJDOZPPL-UHFFFAOYSA-N 1 0 390.933 2.898 20 0 GFADRO CC(=O)Nc1ccc(S(=O)(=O)NC2CCC(C)([NH+](C)C)CC2)cc1Cl ZINC000867743830 662571887 /nfs/dbraw/zinc/57/18/87/662571887.db2.gz ZHERMWINXHKDLJ-UHFFFAOYSA-N 1 0 387.933 2.840 20 0 GFADRO C[N@@H+]1CC[C@H]2CN(S(=O)(=O)c3c(Cl)cccc3Br)CC[C@@H]21 ZINC000867809495 662578240 /nfs/dbraw/zinc/57/82/40/662578240.db2.gz RYEGAUQFRJQEFH-GWCFXTLKSA-N 1 0 393.734 2.817 20 0 GFADRO CC[NH+](CC)CC[C@@H](CO)NC(=O)c1cc(F)c(Br)cc1F ZINC000867976992 662590279 /nfs/dbraw/zinc/59/02/79/662590279.db2.gz YNNONQJRSPLFOZ-JTQLQIEISA-N 1 0 379.245 2.550 20 0 GFADRO C[C@H](NC(=O)c1cnn(-c2ccc(Br)cc2)c1)C1CC[NH2+]CC1 ZINC000868009584 662591201 /nfs/dbraw/zinc/59/12/01/662591201.db2.gz AYTZDVDCPBGWGU-LBPRGKRZSA-N 1 0 377.286 2.753 20 0 GFADRO COC[C@H](NC(=O)[C@H]([NH3+])Cc1ccccc1)c1cccc(Br)c1 ZINC000868025320 662591855 /nfs/dbraw/zinc/59/18/55/662591855.db2.gz XDFREZMZCSDUNZ-SJORKVTESA-N 1 0 377.282 2.823 20 0 GFADRO COc1ccc(Br)c(CNC(=O)N2CC[C@H]3[C@H](CC[N@@H+]3C)C2)c1 ZINC000868066874 662593340 /nfs/dbraw/zinc/59/33/40/662593340.db2.gz QWRKYZCSPHSOFF-WBMJQRKESA-N 1 0 382.302 2.693 20 0 GFADRO Cc1cc(COc2ccc(C(=O)N3CC[C@@](C)([NH3+])C3)cc2Br)on1 ZINC000868075742 662593701 /nfs/dbraw/zinc/59/37/01/662593701.db2.gz PMJIWZOCRBZJHR-QGZVFWFLSA-N 1 0 394.269 2.888 20 0 GFADRO Cc1sc2nc(CS[C@@H](C)C(=O)N3CC[C@](C)([NH3+])C3)[nH]c(=O)c2c1C ZINC000868072795 662593745 /nfs/dbraw/zinc/59/37/45/662593745.db2.gz FWBVRHYCZFXZNB-GTNSWQLSSA-N 1 0 380.539 2.585 20 0 GFADRO O=C(Nc1ccc2nccnc2c1Br)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000868157671 662596976 /nfs/dbraw/zinc/59/69/76/662596976.db2.gz GTYDSEDKUNKMQH-ZWNOBZJWSA-N 1 0 376.258 2.751 20 0 GFADRO O=C(Nc1ccn(-c2ccc(Br)cc2)n1)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000868160847 662597206 /nfs/dbraw/zinc/59/72/06/662597206.db2.gz WHBBSOZUVAKUMJ-LSDHHAIUSA-N 1 0 390.285 2.993 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1Br ZINC000868307683 662601564 /nfs/dbraw/zinc/60/15/64/662601564.db2.gz JNNZERRTFNGIJH-BTTYYORXSA-N 1 0 394.313 2.651 20 0 GFADRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)N[C@@H]1COc2cccc(Br)c2C1 ZINC000868355946 662603009 /nfs/dbraw/zinc/60/30/09/662603009.db2.gz URHXOQGBWYIUPN-STQMWFEESA-N 1 0 394.313 2.536 20 0 GFADRO O=C([C@H](O)c1cnc[nH]1)N1CCCC[C@@H]1Cc1ccccc1Br ZINC000868593831 662611115 /nfs/dbraw/zinc/61/11/15/662611115.db2.gz AIDGTQNEYWHEAO-CZUORRHYSA-N 1 0 378.270 2.829 20 0 GFADRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)c2cc(Br)ncc2Br)C1 ZINC000869190136 662634056 /nfs/dbraw/zinc/63/40/56/662634056.db2.gz OZOOITBWFABKHF-DTORHVGOSA-N 1 0 391.107 2.677 20 0 GFADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NCCSCCC(F)(F)F ZINC000869064737 662628578 /nfs/dbraw/zinc/62/85/78/662628578.db2.gz SREUEYGMRRABIG-CYBMUJFWSA-N 1 0 383.480 2.567 20 0 GFADRO Cc1ccc(C(=O)Nc2cc(N3CC[NH+](C)CC3)ccn2)c(Br)n1 ZINC000870667540 662698240 /nfs/dbraw/zinc/69/82/40/662698240.db2.gz ZUYJEBMWAURGIX-UHFFFAOYSA-N 1 0 390.285 2.552 20 0 GFADRO C[C@@H](NC(=O)CCC12CC(C1)C[NH2+]2)c1cc2c(cc1Br)OCCO2 ZINC000870870222 662703919 /nfs/dbraw/zinc/70/39/19/662703919.db2.gz ITJQZURJJLOVBR-VQQRXRCHSA-N 1 0 395.297 2.930 20 0 GFADRO O=C(CCC12CC(C1)C[NH2+]2)N[C@@H]1CCN(c2ccccc2Br)C1 ZINC000870885866 662704824 /nfs/dbraw/zinc/70/48/24/662704824.db2.gz PMQMGEGDRCEROQ-TXKKKEFDSA-N 1 0 378.314 2.676 20 0 GFADRO CC[C@@H](C(=O)Nc1ccc(N2CC[C@H](CO)C2)c(Br)c1)[NH+](C)C ZINC000870889324 662705913 /nfs/dbraw/zinc/70/59/13/662705913.db2.gz GYLSLTKDVAYIJB-WFASDCNBSA-N 1 0 384.318 2.546 20 0 GFADRO C[C@H](NC(=O)[C@@H]([NH3+])c1cccc(Br)c1)[C@H](O)Cc1ccccc1 ZINC000870910250 662707584 /nfs/dbraw/zinc/70/75/84/662707584.db2.gz MNIHIZRNLFQSPH-VUCTXSBTSA-N 1 0 377.282 2.557 20 0 GFADRO [NH3+][C@@H](C(=O)N1CCC([C@H](O)C(F)(F)F)CC1)c1cccc(Br)c1 ZINC000870906990 662707734 /nfs/dbraw/zinc/70/77/34/662707734.db2.gz NMVLOXLQDBYPRX-OLZOCXBDSA-N 1 0 395.219 2.611 20 0 GFADRO O=C(CCC12CC(C1)C[NH2+]2)N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000870913078 662707905 /nfs/dbraw/zinc/70/79/05/662707905.db2.gz UDRSPQWDXJPRNS-YSTGTXGZSA-N 1 0 382.291 2.747 20 0 GFADRO C[C@H]1C[C@@H](C(=O)N[C@@](C)(CO)Cc2ccc(Br)cc2)CC[N@@H+]1C ZINC000870947952 662711147 /nfs/dbraw/zinc/71/11/47/662711147.db2.gz UYJGDNMOPUXBNS-DHSIGJKJSA-N 1 0 383.330 2.589 20 0 GFADRO Cc1cccc(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)c1I ZINC000870976137 662712106 /nfs/dbraw/zinc/71/21/06/662712106.db2.gz RGXFWIQACNUDII-CLLJXQQHSA-N 1 0 384.261 2.860 20 0 GFADRO O=C(NCc1ncc(Br)s1)c1csc(C2CC[NH2+]CC2)n1 ZINC000871012383 662712626 /nfs/dbraw/zinc/71/26/26/662712626.db2.gz RKWRDNRRANMIFT-UHFFFAOYSA-N 1 0 387.328 2.759 20 0 GFADRO O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)N[C@H]1COc2cccc(Br)c2C1 ZINC000871007939 662712718 /nfs/dbraw/zinc/71/27/18/662712718.db2.gz LXHZIXHFDDAUTB-WTUNAVPPSA-N 1 0 379.298 2.790 20 0 GFADRO Cn1c(-c2cccc(Br)c2)nnc1N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000871046256 662714285 /nfs/dbraw/zinc/71/42/85/662714285.db2.gz WNAUKDLTFQPZGO-ZFWWWQNUSA-N 1 0 376.302 2.775 20 0 GFADRO C[N@@H+]1CCN(C(=O)c2cccnc2-n2cc(Br)cn2)CCC1(C)C ZINC000871157992 662716663 /nfs/dbraw/zinc/71/66/63/662716663.db2.gz JPEAGLOKOIVMQI-UHFFFAOYSA-N 1 0 392.301 2.586 20 0 GFADRO CN(CCCCCC[NH3+])S(=O)(=O)c1cc(Br)cnc1Cl ZINC000871821212 662735875 /nfs/dbraw/zinc/73/58/75/662735875.db2.gz IXENXXRWGDGVMS-UHFFFAOYSA-N 1 0 384.727 2.637 20 0 GFADRO O=S(=O)(N[C@H]1CCCCC12CC[NH2+]CC2)c1ccc(Br)o1 ZINC000871819714 662735902 /nfs/dbraw/zinc/73/59/02/662735902.db2.gz XJAWSZJPIODURF-NSHDSACASA-N 1 0 377.304 2.633 20 0 GFADRO COC[C@@H]([NH2+][C@H](Cc1ccccc1)C(N)=O)c1cccc(Br)c1 ZINC000871924599 662742660 /nfs/dbraw/zinc/74/26/60/662742660.db2.gz LWBYOCLLCNOANV-IAGOWNOFSA-N 1 0 377.282 2.823 20 0 GFADRO CCS(=O)(=O)CC[NH2+][C@@H](c1cccc(Br)c1)[C@@H]1CCOC1 ZINC000872030754 662754180 /nfs/dbraw/zinc/75/41/80/662754180.db2.gz BWJGHITWUQJRNM-HIFRSBDPSA-N 1 0 376.316 2.551 20 0 GFADRO OCC1(C[NH2+][C@@H](c2cccc(Br)c2)[C@H]2CCOC2)CCOCC1 ZINC000872050650 662754846 /nfs/dbraw/zinc/75/48/46/662754846.db2.gz AVZYZOJNHASPEY-RDJZCZTQSA-N 1 0 384.314 2.905 20 0 GFADRO O=S1(=O)CC(CC[NH2+][C@H](c2cccc(Br)c2)[C@H]2CCOC2)C1 ZINC000872064744 662755007 /nfs/dbraw/zinc/75/50/07/662755007.db2.gz LFSUVPHYOKURLH-GOEBONIOSA-N 1 0 388.327 2.551 20 0 GFADRO OCCCN1CCC[C@@H]1C[NH2+][C@@H](c1cccc(Br)c1)[C@H]1CCOC1 ZINC000872075645 662755239 /nfs/dbraw/zinc/75/52/39/662755239.db2.gz TUFGCGGFYZLUFW-UHOSZYNNSA-N 1 0 397.357 2.963 20 0 GFADRO Cn1ncc(CCC[NH2+][C@H](c2cccc(Br)c2)[C@H]2CCOC2)n1 ZINC000872072274 662755315 /nfs/dbraw/zinc/75/53/15/662755315.db2.gz GAVLFPJMHIPSCA-WMLDXEAASA-N 1 0 379.302 2.878 20 0 GFADRO CC(C)(C)[C@H]1C[C@@H]([NH2+]CCNC(=O)c2ccc(Br)cn2)CCO1 ZINC000872083985 662755590 /nfs/dbraw/zinc/75/55/90/662755590.db2.gz GDOTWPZETNDOKH-DZGCQCFKSA-N 1 0 384.318 2.757 20 0 GFADRO OCC1([C@@H]([NH2+]C[C@@H](O)c2ccc(Br)cc2)[C@@H]2CCCO2)CCC1 ZINC000872215523 662758168 /nfs/dbraw/zinc/75/81/68/662758168.db2.gz CXSKQSUHSUUWSK-IKGGRYGDSA-N 1 0 384.314 2.782 20 0 GFADRO CC(C)(C)[S@](C)(=O)=NS(=O)(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000872432508 662765778 /nfs/dbraw/zinc/76/57/78/662765778.db2.gz UNNZJZGGFBPQDC-DEOSSOPVSA-N 1 0 387.571 2.513 20 0 GFADRO O=S(=O)(NC1CC[NH+](C2CCCC2)CC1)c1cccc(Br)n1 ZINC000872459474 662769215 /nfs/dbraw/zinc/76/92/15/662769215.db2.gz UDMHAHQRMQICFA-UHFFFAOYSA-N 1 0 388.331 2.529 20 0 GFADRO CCCNC(=O)CN1CCC([NH2+]Cc2cc(Br)c(C)s2)CC1 ZINC000873012836 662796392 /nfs/dbraw/zinc/79/63/92/662796392.db2.gz OCDZGAQUMWJQAR-UHFFFAOYSA-N 1 0 388.375 2.899 20 0 GFADRO COCC[NH+]1CCC(NCc2cccc(F)c2I)CC1 ZINC000873023730 662796728 /nfs/dbraw/zinc/79/67/28/662796728.db2.gz ULXXOKGVILXBHN-UHFFFAOYSA-N 1 0 392.256 2.631 20 0 GFADRO CSc1cc(Cl)ccc1NC(=O)C(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000873106201 662799994 /nfs/dbraw/zinc/79/99/94/662799994.db2.gz GGAQHCCQNJCFNE-WPRPVWTQSA-N 1 0 395.834 2.596 20 0 GFADRO Brc1cnc(CN[C@]23CCC[C@@H]2[NH2+]CC3)c(Br)c1 ZINC000873231125 662804254 /nfs/dbraw/zinc/80/42/54/662804254.db2.gz IBHJAVXIELKAPI-STQMWFEESA-N 1 0 375.108 2.981 20 0 GFADRO COc1ccc(CN2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)c(Br)c1O ZINC000873227801 662804301 /nfs/dbraw/zinc/80/43/01/662804301.db2.gz MDEMHFLCNIQNEC-NXEZZACHSA-N 1 0 383.208 2.732 20 0 GFADRO COC(=O)c1c(Br)ccc(NC(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)c1C ZINC000873322409 662805388 /nfs/dbraw/zinc/80/53/88/662805388.db2.gz GMVKMUBMHOZGBP-APPDUMDISA-N 1 0 396.285 2.617 20 0 GFADRO COC(=O)c1c(Br)ccc(NC(=O)N[C@@]23CCC[C@@H]2[NH2+]CC3)c1C ZINC000873324511 662805465 /nfs/dbraw/zinc/80/54/65/662805465.db2.gz SOHNIRJNVVRWPI-SUMWQHHRSA-N 1 0 396.285 2.950 20 0 GFADRO COC(=O)c1cc(NC(=O)N[C@]23CCC[C@@H]2[NH2+]CC3)c(C)cc1Br ZINC000873325501 662805579 /nfs/dbraw/zinc/80/55/79/662805579.db2.gz UKQHXWPVXMOZSY-YOEHRIQHSA-N 1 0 396.285 2.950 20 0 GFADRO [NH3+]C[C@@H]1CN(N2CCO[C@@H](c3c(F)cccc3Cl)C2)C[C@@H]1C(F)(F)F ZINC000873331659 662805675 /nfs/dbraw/zinc/80/56/75/662805675.db2.gz CDYMNQNBFUAQHW-UHIISALHSA-N 1 0 381.801 2.836 20 0 GFADRO CCc1ccc(Br)c(NC(=O)C(=O)NCCCC[N@H+](C)C2CC2)c1 ZINC000873912055 662818176 /nfs/dbraw/zinc/81/81/76/662818176.db2.gz PYRPYVCJPPILPE-UHFFFAOYSA-N 1 0 396.329 2.941 20 0 GFADRO C[NH+]1CCC2(CCN(C(=O)C(=O)Nc3ccccc3Br)CC2)CC1 ZINC000874011728 662821008 /nfs/dbraw/zinc/82/10/08/662821008.db2.gz PUQJBVUEMPWLLO-UHFFFAOYSA-N 1 0 394.313 2.722 20 0 GFADRO O=C([O-])C[NH+]1CCC([NH2+]Cc2ccc(Br)c3cccnc23)CC1 ZINC000874049648 662821355 /nfs/dbraw/zinc/82/13/55/662821355.db2.gz IHLFNKCLQKCZAU-UHFFFAOYSA-N 1 0 378.270 2.636 20 0 GFADRO O=C(NC1CC[NH+](Cc2ccncc2)CC1)c1csc(Br)n1 ZINC000874085964 662822270 /nfs/dbraw/zinc/82/22/70/662822270.db2.gz GHEMDJGHIJQFCS-UHFFFAOYSA-N 1 0 381.299 2.695 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)c1cc(N)nc(Br)c1)c1ccc(F)cc1 ZINC000874101546 662822743 /nfs/dbraw/zinc/82/27/43/662822743.db2.gz JZMVOFQPGWKHMX-CYBMUJFWSA-N 1 0 381.249 2.598 20 0 GFADRO COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2C ZINC000874370105 662830279 /nfs/dbraw/zinc/83/02/79/662830279.db2.gz WIZJEWXBAZQBRV-ZIAGYGMSSA-N 1 0 386.279 2.636 20 0 GFADRO CC(=O)c1cc(Br)ccc1OCC(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2C ZINC000874826555 662837490 /nfs/dbraw/zinc/83/74/90/662837490.db2.gz ABBFBHSZYLVDCG-HZPDHXFCSA-N 1 0 395.297 2.726 20 0 GFADRO COC(=O)c1cc(Br)cc(C(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3C)c1 ZINC000874830900 662837826 /nfs/dbraw/zinc/83/78/26/662837826.db2.gz WWDNEIDHCIIUMI-LSDHHAIUSA-N 1 0 381.270 2.544 20 0 GFADRO Cc1ccc(C(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3C)cc1I ZINC000874837641 662837997 /nfs/dbraw/zinc/83/79/97/662837997.db2.gz IUMNBLKRKCHOMW-CABCVRRESA-N 1 0 384.261 2.908 20 0 GFADRO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)c1cc(I)ccc1F ZINC000874837905 662838019 /nfs/dbraw/zinc/83/80/19/662838019.db2.gz MCUBIVYQCBJBKR-ZIAGYGMSSA-N 1 0 388.224 2.739 20 0 GFADRO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)c1ccc(F)c(I)c1 ZINC000874838075 662838092 /nfs/dbraw/zinc/83/80/92/662838092.db2.gz MUAXEPLQOZSSHX-ZIAGYGMSSA-N 1 0 388.224 2.739 20 0 GFADRO CN(CC[NH+]1CC2(C1)CCOCC2)C(=O)NCc1ccccc1Br ZINC000875179046 662842992 /nfs/dbraw/zinc/84/29/92/662842992.db2.gz UOKIZQRZGOHTPB-UHFFFAOYSA-N 1 0 396.329 2.703 20 0 GFADRO CCN(CC)S(=O)(=O)c1cc(NC(=O)[C@H]2CC[C@@H]([NH3+])CC2)ccc1Cl ZINC000876552318 662862690 /nfs/dbraw/zinc/86/26/90/662862690.db2.gz QYWCURYOMVQKHW-BETUJISGSA-N 1 0 387.933 2.827 20 0 GFADRO O=C(NCC1(c2ccc(Br)cc2)CCOCC1)[C@@H](F)[C@@H]1CC[NH2+]C1 ZINC000876641657 662864013 /nfs/dbraw/zinc/86/40/13/662864013.db2.gz LZCQKKDLDYMOKV-CJNGLKHVSA-N 1 0 399.304 2.561 20 0 GFADRO COc1cc(CNC(=O)/C=C\[C@H]2CCC[NH2+]C2)cc(Br)c1OC ZINC000876637553 662864029 /nfs/dbraw/zinc/86/40/29/662864029.db2.gz ODIXIYAVZGFDHM-FOQNGQEVSA-N 1 0 383.286 2.638 20 0 GFADRO O=C(NCC1(c2ccc(Br)cc2)CCOCC1)[C@@H](F)[C@H]1CC[NH2+]C1 ZINC000876641656 662864039 /nfs/dbraw/zinc/86/40/39/662864039.db2.gz LZCQKKDLDYMOKV-BBRMVZONSA-N 1 0 399.304 2.561 20 0 GFADRO O=C(/C=C\[C@H]1CCC[NH2+]C1)NCCc1ccc(I)s1 ZINC000876646886 662864227 /nfs/dbraw/zinc/86/42/27/662864227.db2.gz YYGCCICWZPPPKH-ZTYXWKCZSA-N 1 0 390.290 2.567 20 0 GFADRO Cn1ncc(C[NH3+])c1C(=O)NCCCCSc1ccccc1Br ZINC000876654237 662864231 /nfs/dbraw/zinc/86/42/31/662864231.db2.gz ABWAXLCRAAHQJV-UHFFFAOYSA-N 1 0 397.342 2.944 20 0 GFADRO O=C(/C=C/[C@@H]1CCC[NH2+]C1)NCCOc1ncc(C(F)(F)F)cc1Cl ZINC000876772074 662866173 /nfs/dbraw/zinc/86/61/73/662866173.db2.gz GKZLTVPCVWYLHG-UFFNRZRYSA-N 1 0 377.794 2.805 20 0 GFADRO CC(C)N1CC[NH+](C2CCN(Cc3cccnc3Br)CC2)CC1 ZINC000876792079 662866543 /nfs/dbraw/zinc/86/65/43/662866543.db2.gz RAVIVIWMPKPYOQ-UHFFFAOYSA-N 1 0 381.362 2.835 20 0 GFADRO O=C(/C=C\[C@@H]1CCC[NH2+]C1)N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000876894126 662867789 /nfs/dbraw/zinc/86/77/89/662867789.db2.gz LVCDPFRAKKKCCM-JOBPQBCRSA-N 1 0 382.291 2.771 20 0 GFADRO CC(C)n1ncc(C(=O)N2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)c1Br ZINC000876918478 662868013 /nfs/dbraw/zinc/86/80/13/662868013.db2.gz IMWQJAUANQVKPG-GJZGRUSLSA-N 1 0 399.333 2.585 20 0 GFADRO O=C(NC[C@@H]1CSc2ccccc2O1)c1csc(C2CC[NH2+]CC2)n1 ZINC000876934584 662868395 /nfs/dbraw/zinc/86/83/95/662868395.db2.gz KFWDZAAVACXXTI-CYBMUJFWSA-N 1 0 375.519 2.893 20 0 GFADRO CCN(CC)C(=O)CCC[NH2+]Cc1ccc(C(=O)OC)c(Br)c1 ZINC000876932978 662868400 /nfs/dbraw/zinc/86/84/00/662868400.db2.gz AZKQCYFAXKDSLA-UHFFFAOYSA-N 1 0 385.302 2.974 20 0 GFADRO C[C@@]1(CCNC(=O)c2nnn(C3CC[NH2+]CC3)c2C(F)F)C[C@]1(F)Cl ZINC000876945202 662868490 /nfs/dbraw/zinc/86/84/90/662868490.db2.gz VSBYBZKYDGFCPU-HUUCEWRRSA-N 1 0 379.814 2.575 20 0 GFADRO CCO[P@](C)(=O)CC[C@H](C)[NH2+]Cc1ccc(CS(=O)(=O)NC)cc1 ZINC000876960317 662868696 /nfs/dbraw/zinc/86/86/96/662868696.db2.gz CNCUJNMCJZEBRJ-PSLXWICFSA-N 1 0 376.459 2.548 20 0 GFADRO [NH3+][C@@H](C(=O)N1C[C@]23COC[C@@]2(C1)CCCC3)c1cccc(Br)c1 ZINC000876980532 662869071 /nfs/dbraw/zinc/86/90/71/662869071.db2.gz GJEIHRCIVNLGJO-NXHRZFHOSA-N 1 0 379.298 2.868 20 0 GFADRO CCO[P@@](C)(=O)CC[C@H](C)[NH2+]CCNS(=O)(=O)c1cccc(Cl)c1 ZINC000876981259 662869078 /nfs/dbraw/zinc/86/90/78/662869078.db2.gz SKSWFYMSJVOGKX-ZAMGYDSWSA-N 1 0 396.877 2.931 20 0 GFADRO Cc1nc(C2CC[NH2+]CC2)sc1C(=O)N1CCO[C@@H](CC(F)(F)F)C1 ZINC000876978904 662869087 /nfs/dbraw/zinc/86/90/87/662869087.db2.gz QPNVUMNVPYMMSY-LBPRGKRZSA-N 1 0 377.432 2.712 20 0 GFADRO CCO[P@](C)(=O)CC[C@H](C)[NH2+]CCNS(=O)(=O)c1ccc(C)cc1 ZINC000876980157 662869089 /nfs/dbraw/zinc/86/90/89/662869089.db2.gz YKLHGALNLWZYHL-WNSKOXEYSA-N 1 0 376.459 2.586 20 0 GFADRO [NH3+][C@@H](C(=O)NC[C@@H]1Cc2ccccc2CO1)c1cccc(Br)c1 ZINC000876992209 662869327 /nfs/dbraw/zinc/86/93/27/662869327.db2.gz NPNLIQLBNPVHMG-DLBZAZTESA-N 1 0 375.266 2.707 20 0 GFADRO NS(=O)(=O)c1cccc(C[NH2+]C2(c3ccc(Cl)cc3)CCOCC2)c1 ZINC000877042688 662869998 /nfs/dbraw/zinc/86/99/98/662869998.db2.gz URULBYHFBHKSTK-UHFFFAOYSA-N 1 0 380.897 2.783 20 0 GFADRO CS(=O)(=O)[C@@H]1CCC[C@H](NCc2nc(Cl)ccc2Br)C1 ZINC000877051329 662870222 /nfs/dbraw/zinc/87/02/22/662870222.db2.gz VRPIJUQMIKREJB-VHSXEESVSA-N 1 0 381.723 2.943 20 0 GFADRO C[C@H](C[NH2+]Cc1cccc(S(N)(=O)=O)c1)Oc1cccc(Br)c1 ZINC000877069493 662870628 /nfs/dbraw/zinc/87/06/28/662870628.db2.gz BMTPXXBAVDCFRY-GFCCVEGCSA-N 1 0 399.310 2.654 20 0 GFADRO C[C@H](C[NH2+]Cc1cccc(S(N)(=O)=O)c1)Oc1ccc(Br)cc1 ZINC000877067141 662870639 /nfs/dbraw/zinc/87/06/39/662870639.db2.gz YVBIEMDFAFFPJU-GFCCVEGCSA-N 1 0 399.310 2.654 20 0 GFADRO C[C@H]([NH3+])CN(C)C(=O)c1cccc(NC(=O)c2ccc(Br)o2)c1 ZINC000877100230 662871086 /nfs/dbraw/zinc/87/10/86/662871086.db2.gz RAAZVQRKNVTACW-JTQLQIEISA-N 1 0 380.242 2.714 20 0 GFADRO CC(C)n1ncc(C(=O)NCc2cccc3c2CC[NH2+]C3)c1Br ZINC000877142538 662871640 /nfs/dbraw/zinc/87/16/40/662871640.db2.gz ROIPFOHNJRVWMB-UHFFFAOYSA-N 1 0 377.286 2.802 20 0 GFADRO CC1(C)CC[C@@H](CNC(=O)c2cc(=O)c3cc(Br)ccc3[nH]2)[NH2+]C1 ZINC000877156289 662871742 /nfs/dbraw/zinc/87/17/42/662871742.db2.gz UFNIVPMUNJUTKY-LBPRGKRZSA-N 1 0 392.297 2.799 20 0 GFADRO C[C@@]1(C(=O)Nc2ccc(Br)c(Br)c2)C[NH2+]CCO1 ZINC000877266813 662872797 /nfs/dbraw/zinc/87/27/97/662872797.db2.gz UAFFIJBCAKFARN-LBPRGKRZSA-N 1 0 378.064 2.529 20 0 GFADRO O=C(c1ccc(I)c(Cl)c1)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000877280758 662873111 /nfs/dbraw/zinc/87/31/11/662873111.db2.gz WSBVVZQHZPXIPW-STQMWFEESA-N 1 0 390.652 2.911 20 0 GFADRO Cc1c(C(=O)N2CCC[C@H]3[NH2+]CC[C@@H]32)cnn1-c1cccc(Br)c1 ZINC000877280786 662873059 /nfs/dbraw/zinc/87/30/59/662873059.db2.gz XMASTRAICYLGQP-SJORKVTESA-N 1 0 389.297 2.910 20 0 GFADRO CO[C@H](C(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1)c1ccccc1Br ZINC000877355894 662874194 /nfs/dbraw/zinc/87/41/94/662874194.db2.gz LFINVUFZIZARBE-NDMJEZRESA-N 1 0 395.219 2.732 20 0 GFADRO COc1cc(C(=O)N2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)sc1Br ZINC000877359036 662874414 /nfs/dbraw/zinc/87/44/14/662874414.db2.gz FXTYKMNVHCNNMA-NKWVEPMBSA-N 1 0 387.221 2.728 20 0 GFADRO COc1cc(Br)ccc1C(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000877367019 662874721 /nfs/dbraw/zinc/87/47/21/662874721.db2.gz YQRYZNVCFQGRJT-GZMMTYOYSA-N 1 0 381.192 2.667 20 0 GFADRO COc1ccc(C(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)c(Br)c1 ZINC000877367201 662874832 /nfs/dbraw/zinc/87/48/32/662874832.db2.gz ZEYYDWQQBBOFEL-KCJUWKMLSA-N 1 0 381.192 2.667 20 0 GFADRO Cc1sc2ncnc(SCCC(=O)N3C[C@@H]4C[NH2+]C[C@]4(C)C3)c2c1C ZINC000877377643 662875040 /nfs/dbraw/zinc/87/50/40/662875040.db2.gz SSNVZPWOLZYXJU-SCLBCKFNSA-N 1 0 376.551 2.858 20 0 GFADRO COC(=O)CC[C@H]1CCCN(C(=O)[C@@](C)([NH3+])c2ccc(Br)cc2)C1 ZINC000877381932 662875197 /nfs/dbraw/zinc/87/51/97/662875197.db2.gz LLSKSYZFCZVNLL-ACJLOTCBSA-N 1 0 397.313 2.815 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C(=O)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000877388749 662875296 /nfs/dbraw/zinc/87/52/96/662875296.db2.gz FFMXQMLJNNAMLZ-SJLPKXTDSA-N 1 0 389.297 2.958 20 0 GFADRO O=C(N[C@]12CCC[C@@H]1[NH2+]CC2)c1ccn(-c2cccc(Br)c2)n1 ZINC000877389975 662875324 /nfs/dbraw/zinc/87/53/24/662875324.db2.gz AZDBYYWYCWEDIN-RDJZCZTQSA-N 1 0 375.270 2.649 20 0 GFADRO O=C(N[C@]12CCC[C@@H]1[NH2+]CC2)[C@@H]1CCN(c2cc(Cl)ccc2Cl)C1=O ZINC000877393067 662875375 /nfs/dbraw/zinc/87/53/75/662875375.db2.gz OSCWRYXQUNSIKK-QITLCBANSA-N 1 0 382.291 2.747 20 0 GFADRO CN(C)[C@H](C[NH2+]CC1CCS(=O)(=O)CC1)c1cccc(C(F)(F)F)c1 ZINC000877399319 662875477 /nfs/dbraw/zinc/87/54/77/662875477.db2.gz MUXFFVRCZAHRGS-MRXNPFEDSA-N 1 0 378.460 2.723 20 0 GFADRO CN1CC[C@H]([NH2+]CC(=O)NCC(F)F)C[C@H]1c1ccc(Br)cc1 ZINC000877494838 662877141 /nfs/dbraw/zinc/87/71/41/662877141.db2.gz OMLXOLFBZDZBJH-KBPBESRZSA-N 1 0 390.272 2.555 20 0 GFADRO CN(CCC[NH+]1CCN(C)CC1)Cc1nc(Cl)ccc1Br ZINC000877528024 662878254 /nfs/dbraw/zinc/87/82/54/662878254.db2.gz YUIGYCFZHNXXKP-UHFFFAOYSA-N 1 0 375.742 2.567 20 0 GFADRO O[C@@]1(c2ccccc2)CCC[N@H+](Cc2cnn3cc(Br)cnc23)C1 ZINC000877653260 662880907 /nfs/dbraw/zinc/88/09/07/662880907.db2.gz DYNHTXVLFUMYHQ-SFHVURJKSA-N 1 0 387.281 2.975 20 0 GFADRO C[C@](CO)(Cc1ccc(Br)cc1)[NH2+]Cc1cn2cccnc2n1 ZINC000877697644 662882232 /nfs/dbraw/zinc/88/22/32/662882232.db2.gz PXEVPADGCXVKHQ-QGZVFWFLSA-N 1 0 375.270 2.575 20 0 GFADRO CCOC(=O)[C@@]1(C[NH2+]Cc2c(Cl)n(C)nc2C(F)(F)F)CCCOC1 ZINC000877698557 662882245 /nfs/dbraw/zinc/88/22/45/662882245.db2.gz LKSRZYZXAFMMGM-CQSZACIVSA-N 1 0 383.798 2.542 20 0 GFADRO Cn1ncc(I)c1C[NH2+]CCc1ccc(F)cc1F ZINC000877776351 662883355 /nfs/dbraw/zinc/88/33/55/662883355.db2.gz HBYAASQXBHNYIQ-UHFFFAOYSA-N 1 0 377.176 2.635 20 0 GFADRO O[C@H](CN1CCC[N@H+](Cc2ccc(F)cc2)CC1)c1cc(Br)no1 ZINC000877915783 662885803 /nfs/dbraw/zinc/88/58/03/662885803.db2.gz LJHSJZLDIMZOQZ-OAHLLOKOSA-N 1 0 398.276 2.818 20 0 GFADRO C[N@@H+]1CC[C@H]2CN(C(=O)Nc3cc4c(cc3Br)OCCO4)CC[C@H]21 ZINC000878007486 662887955 /nfs/dbraw/zinc/88/79/55/662887955.db2.gz DJHBEHBPNXKOFI-SMDDNHRTSA-N 1 0 396.285 2.778 20 0 GFADRO C[N@H+](Cc1ccccc1)[C@H]1CCN(C[C@H](O)c2cc(Br)no2)C1 ZINC000878171924 662891171 /nfs/dbraw/zinc/89/11/71/662891171.db2.gz YSUWFSUFCSPYKL-GJZGRUSLSA-N 1 0 380.286 2.677 20 0 GFADRO C[C@@H]1CN(CCc2ccccc2Br)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000878323976 662893826 /nfs/dbraw/zinc/89/38/26/662893826.db2.gz FRPSHCDCDGMGKF-APWZRJJASA-N 1 0 380.374 2.949 20 0 GFADRO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CC[N@H+](CCCS(=O)(=O)C(C)(C)C)C1 ZINC000878384411 662895022 /nfs/dbraw/zinc/89/50/22/662895022.db2.gz LLPHRIFLTCNVND-LSDHHAIUSA-N 1 0 376.563 2.825 20 0 GFADRO C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1[NH2+]CCCS(=O)(=O)C(C)(C)C ZINC000878596828 662899839 /nfs/dbraw/zinc/89/98/39/662899839.db2.gz HWDYKDPWVYDQMR-LSDHHAIUSA-N 1 0 376.563 2.825 20 0 GFADRO C[C@@H](C[N@H+](C[C@H](O)c1cc(Br)no1)[C@@H](C)CO)c1ccccc1 ZINC000878620566 662900585 /nfs/dbraw/zinc/90/05/85/662900585.db2.gz ZLOAFXVBZKNFPM-YDHLFZDLSA-N 1 0 383.286 2.957 20 0 GFADRO OCC[C@H]([NH2+]C[C@@H](O)c1cc(Br)no1)c1ccc(Cl)cc1 ZINC000878618665 662900587 /nfs/dbraw/zinc/90/05/87/662900587.db2.gz DGPFJVCCSKNJJA-NWDGAFQWSA-N 1 0 375.650 2.837 20 0 GFADRO OCC1([C@@H]([NH2+]C[C@@H](O)c2cc(Br)no2)c2ccccc2)CCC1 ZINC000878649649 662901750 /nfs/dbraw/zinc/90/17/50/662901750.db2.gz BMIMYBZFKAFZOD-CJNGLKHVSA-N 1 0 381.270 2.964 20 0 GFADRO C[C@@H](CNC(=O)c1cc(Br)ccc1C1CC1)N1CC[NH+](C)CC1 ZINC000878880420 662908373 /nfs/dbraw/zinc/90/83/73/662908373.db2.gz YTIRJHPDLUKKKY-ZDUSSCGKSA-N 1 0 380.330 2.692 20 0 GFADRO C[NH+](C)C[C@@H]1COC2(CCCC2)CN1C(=O)Nc1cccnc1Br ZINC000878974895 662911964 /nfs/dbraw/zinc/91/19/64/662911964.db2.gz QPGHKIRZHLTLOG-CYBMUJFWSA-N 1 0 397.317 2.951 20 0 GFADRO CCOC(=O)CC1([NH2+]Cc2nc(C)c(Br)s2)CCOCC1 ZINC000878997063 662912592 /nfs/dbraw/zinc/91/25/92/662912592.db2.gz VLKBKTHYDGHXLR-UHFFFAOYSA-N 1 0 377.304 2.806 20 0 GFADRO CC[N@@H+]1CC[C@@H]1CNC(=O)Nc1ccc(OC)cc1I ZINC000879374174 662924494 /nfs/dbraw/zinc/92/44/94/662924494.db2.gz HBMGXJJRWDTMTC-SNVBAGLBSA-N 1 0 389.237 2.516 20 0 GFADRO COC(=O)c1cccc(NC(=O)N2CC[C@H]3[C@H](CC[N@@H+]3C)C2)c1Br ZINC000879374089 662924501 /nfs/dbraw/zinc/92/45/01/662924501.db2.gz BEAGAPTWGZSQKD-RISCZKNCSA-N 1 0 396.285 2.794 20 0 GFADRO Cn1cc(NC(=O)NC[C@H]2CC[N@@H+]2Cc2ccccc2)c(Br)n1 ZINC000880064312 662949551 /nfs/dbraw/zinc/94/95/51/662949551.db2.gz MLTMYYSEOUWSLH-CYBMUJFWSA-N 1 0 378.274 2.579 20 0 GFADRO NC(=O)C1([NH+]2CCCCC2)CCN(Cc2csc(Br)c2)CC1 ZINC000880249677 662956405 /nfs/dbraw/zinc/95/64/05/662956405.db2.gz FGJUCTQWHOUZQT-UHFFFAOYSA-N 1 0 386.359 2.816 20 0 GFADRO O=C(CC[N@@H+]1CCC[C@@H]2CCNC(=O)[C@@H]21)Nc1ccc(Br)cc1F ZINC000880532117 662961668 /nfs/dbraw/zinc/96/16/68/662961668.db2.gz ZVZBYJDOJUIUCV-BDJLRTHQSA-N 1 0 398.276 2.517 20 0 GFADRO O=C(CC[N@@H+]1CCC[C@H]2CCNC(=O)[C@H]21)Nc1ccc(Br)cc1F ZINC000880532120 662961717 /nfs/dbraw/zinc/96/17/17/662961717.db2.gz ZVZBYJDOJUIUCV-ZBEGNZNMSA-N 1 0 398.276 2.517 20 0 GFADRO O[C@@H](COc1cc(Cl)cc(Cl)c1)C[NH+]1CCC2(CC1)COCCO2 ZINC000880548772 662962315 /nfs/dbraw/zinc/96/23/15/662962315.db2.gz CAYXTKGGDAUKIQ-OAHLLOKOSA-N 1 0 376.280 2.615 20 0 GFADRO O=C1Nc2ccc(Br)cc2CC[C@@H]1[NH+]1CCC2(CC1)COCCO2 ZINC000880548848 662962346 /nfs/dbraw/zinc/96/23/46/662962346.db2.gz FSEWZKPRLYCTMC-INIZCTEOSA-N 1 0 395.297 2.584 20 0 GFADRO O[C@H]1C[N@H+](Cc2nc3ccc(Br)cc3o2)CC2(CCOCC2)C1 ZINC000880585815 662963105 /nfs/dbraw/zinc/96/31/05/662963105.db2.gz VCDCDOBOENNZML-CYBMUJFWSA-N 1 0 381.270 2.954 20 0 GFADRO O[C@H](COc1cc(Cl)ccc1Cl)C[N@@H+]1C[C@H](O)CC2(CCOCC2)C1 ZINC000880588639 662963404 /nfs/dbraw/zinc/96/34/04/662963404.db2.gz FTKQDLXIYWMECN-CABCVRRESA-N 1 0 390.307 2.597 20 0 GFADRO COC[C@H]([NH3+])Cc1cn(Cc2cc3ccc(SC)cc3nc2Cl)nn1 ZINC000881055255 662981419 /nfs/dbraw/zinc/98/14/19/662981419.db2.gz VVASBOVVHFSVGQ-CYBMUJFWSA-N 1 0 377.901 2.766 20 0 GFADRO O=C(NCC1SCCS1)Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000881129842 662982178 /nfs/dbraw/zinc/98/21/78/662982178.db2.gz IFPNBSAWWHFORI-INIZCTEOSA-N 1 0 378.567 2.899 20 0 GFADRO O=C(c1ccc(Br)cc1F)N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000881468509 662995115 /nfs/dbraw/zinc/99/51/15/662995115.db2.gz DICBPSVESJXRKZ-AWEZNQCLSA-N 1 0 385.277 2.961 20 0 GFADRO C[NH+](C)Cc1ccccc1CNS(=O)(=O)N=[S@@](C)(=O)C1CCCCC1 ZINC000881764603 663002310 /nfs/dbraw/zinc/00/23/10/663002310.db2.gz MEZCWUADQYGTKR-DEOSSOPVSA-N 1 0 387.571 2.513 20 0 GFADRO FC(F)(F)c1ncnc(NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)c1Br ZINC000881868404 663007144 /nfs/dbraw/zinc/00/71/44/663007144.db2.gz CXJSOAUJZFFROE-IUCAKERBSA-N 1 0 381.196 2.533 20 0 GFADRO CC(C)[NH2+][C@@H]1CCCN(c2cnn(CC(F)(F)F)c(=O)c2Br)C1 ZINC000881875166 663007553 /nfs/dbraw/zinc/00/75/53/663007553.db2.gz SEWXTLQEIRBXFE-SNVBAGLBSA-N 1 0 397.239 2.535 20 0 GFADRO N=[S@](=O)(c1ccc(N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)cc1)C(F)(F)F ZINC000881915145 663009583 /nfs/dbraw/zinc/00/95/83/663009583.db2.gz JAPKCLBXULIBBV-AYNSBQOLSA-N 1 0 377.432 2.647 20 0 GFADRO C[S@@](=O)(=NS(=O)(=O)NC1CC[NH+](C2CCCC2)CC1)C1CCCCC1 ZINC000881965594 663011470 /nfs/dbraw/zinc/01/14/70/663011470.db2.gz MBJYSNHSSREZJW-DEOSSOPVSA-N 1 0 391.603 2.658 20 0 GFADRO C[NH+]1CCC(Oc2ccc(CNS(=O)(=O)CC=C(Cl)Cl)cc2)CC1 ZINC000882169729 663019223 /nfs/dbraw/zinc/01/92/23/663019223.db2.gz WMAOMQAGZRAZPV-UHFFFAOYSA-N 1 0 393.336 2.898 20 0 GFADRO CC(C)C[C@H]([NH2+]Cc1c2c(nn1C)CCSC2)C(=O)Nc1nccs1 ZINC000883081332 663048153 /nfs/dbraw/zinc/04/81/53/663048153.db2.gz BIPWSSVSZNWLCO-AWEZNQCLSA-N 1 0 379.555 2.809 20 0 GFADRO COC[C@@H]([NH2+]CCCS(=O)(=O)c1ccc(Cl)cc1)[C@H]1CCCOC1 ZINC000883224306 663051552 /nfs/dbraw/zinc/05/15/52/663051552.db2.gz JLIRKFIXOIVGBP-WMLDXEAASA-N 1 0 375.918 2.535 20 0 GFADRO COC[C@H]([NH2+]CCCS(=O)(=O)c1ccc(Cl)cc1)[C@H]1CCCOC1 ZINC000883224307 663051581 /nfs/dbraw/zinc/05/15/81/663051581.db2.gz JLIRKFIXOIVGBP-YOEHRIQHSA-N 1 0 375.918 2.535 20 0 GFADRO O=S1(=O)CC[C@H]([NH2+]CCc2ccns2)c2cc(Br)ccc21 ZINC000883247704 663052005 /nfs/dbraw/zinc/05/20/05/663052005.db2.gz SRDKERQXHARONX-ZDUSSCGKSA-N 1 0 387.324 2.956 20 0 GFADRO COCCc1nc(C)c([C@H](C)[NH2+]CC2(S(=O)(=O)NC(C)(C)C)CC2)s1 ZINC000883299689 663053029 /nfs/dbraw/zinc/05/30/29/663053029.db2.gz BXYCOGPYODLASH-LBPRGKRZSA-N 1 0 389.587 2.542 20 0 GFADRO O=C1NCCn2c(C[NH2+][C@H]3CCC[C@@H]3c3ccc(Cl)c(Cl)c3)nnc21 ZINC000883303738 663053082 /nfs/dbraw/zinc/05/30/82/663053082.db2.gz FPNLFUKUUFGNQJ-RISCZKNCSA-N 1 0 380.279 2.754 20 0 GFADRO COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]CC[C@@H]1CCCS1(=O)=O ZINC000883305601 663053184 /nfs/dbraw/zinc/05/31/84/663053184.db2.gz ARVDFYRUIKAOHH-JSGCOSHPSA-N 1 0 388.917 2.623 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CN(CCC[NH3+])CC(F)(F)F ZINC000883443239 663055275 /nfs/dbraw/zinc/05/52/75/663055275.db2.gz INELEEWIHFBFQK-UHFFFAOYSA-N 1 0 382.224 2.909 20 0 GFADRO [NH3+]CCCN(CC(F)(F)F)S(=O)(=O)c1cc(Cl)ccc1OC(F)F ZINC000883470990 663055632 /nfs/dbraw/zinc/05/56/32/663055632.db2.gz PPGDZBJMOGZRGQ-UHFFFAOYSA-N 1 0 396.765 2.843 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)Nc1cc(Br)cc2c1NC(=O)CO2 ZINC000883592792 663057525 /nfs/dbraw/zinc/05/75/25/663057525.db2.gz SYCIUMBRGXXFIG-SKDRFNHKSA-N 1 0 397.273 2.514 20 0 GFADRO CSc1ccc(Cl)cc1NC(=O)C(=O)N1CCc2sc(C[NH3+])nc2C1 ZINC000883621985 663058160 /nfs/dbraw/zinc/05/81/60/663058160.db2.gz DSSLGTFSXDFYCQ-UHFFFAOYSA-N 1 0 396.925 2.501 20 0 GFADRO CCC1([NH3+])CCN(C(=O)C(=O)Nc2cc(F)c(Br)cc2C)CC1 ZINC000883626796 663058250 /nfs/dbraw/zinc/05/82/50/663058250.db2.gz GXXDVUOSYXYFTR-UHFFFAOYSA-N 1 0 386.265 2.565 20 0 GFADRO [NH3+][C@@H](CC1CC1)C(=O)NCC1(c2cccc(Br)c2)CCOCC1 ZINC000884095889 663064980 /nfs/dbraw/zinc/06/49/80/663064980.db2.gz CMNNLXDVTZBQJU-INIZCTEOSA-N 1 0 381.314 2.741 20 0 GFADRO O=C(c1ccc(OC(F)F)c(Br)c1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000884250629 663067628 /nfs/dbraw/zinc/06/76/28/663067628.db2.gz KCLMTSQPKCBOES-OAHLLOKOSA-N 1 0 375.213 2.876 20 0 GFADRO CC1(C)CN(C(=O)c2cc(Br)nn2-c2ncccc2Cl)CC[NH2+]1 ZINC000884304295 663068435 /nfs/dbraw/zinc/06/84/35/663068435.db2.gz LUJNILFKJAEXJR-UHFFFAOYSA-N 1 0 398.692 2.507 20 0 GFADRO CN(C(=O)[C@@H]([NH3+])CCS(C)(=O)=O)[C@H](c1ccc(Cl)cc1)C1CCCC1 ZINC000884317696 663068808 /nfs/dbraw/zinc/06/88/08/663068808.db2.gz AHXVDSDWDRDYMZ-IRXDYDNUSA-N 1 0 386.945 2.792 20 0 GFADRO Cc1cc2scc(CC(=O)N3CCC[C@H](n4cc(C[NH3+])nn4)C3)c2s1 ZINC000884340762 663069317 /nfs/dbraw/zinc/06/93/17/663069317.db2.gz NQTIVYMMBRGZTJ-AWEZNQCLSA-N 1 0 375.523 2.728 20 0 GFADRO O=S(=O)(/C=C/c1ccc(Br)cc1)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000884950227 663079312 /nfs/dbraw/zinc/07/93/12/663079312.db2.gz MUVYTBUEJDYJTK-ZVYLKZBJSA-N 1 0 385.327 2.966 20 0 GFADRO O=S(=O)(Cc1ccc(Br)c(F)c1)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000884957607 663079599 /nfs/dbraw/zinc/07/95/99/663079599.db2.gz TYGYITQUZLBLLM-OLZOCXBDSA-N 1 0 391.306 2.634 20 0 GFADRO C[NH+](C)CC1(C(=O)N2CCC[C@@](O)(c3ccc(Br)cc3)C2)CC1 ZINC000884969786 663081470 /nfs/dbraw/zinc/08/14/70/663081470.db2.gz PZDYVWKSRVPTPA-SFHVURJKSA-N 1 0 381.314 2.601 20 0 GFADRO C[C@@H]1[C@H](C(=O)N2CCC[C@@](O)(c3ccc(Br)cc3)C2)CC[N@@H+]1C ZINC000884969882 663081538 /nfs/dbraw/zinc/08/15/38/663081538.db2.gz SUZUMRQLHWPTAM-QBIMZIAESA-N 1 0 381.314 2.599 20 0 GFADRO Cc1cc(Br)ccc1CS(=O)(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000885032321 663083480 /nfs/dbraw/zinc/08/34/80/663083480.db2.gz WCOUDOIUANNSQR-WFASDCNBSA-N 1 0 375.332 2.660 20 0 GFADRO CC(C)([NH3+])CCNC(=O)C(=O)N1CCC(Sc2ccc(Cl)cc2)CC1 ZINC000885196384 663085924 /nfs/dbraw/zinc/08/59/24/663085924.db2.gz CJIGAODPXGMLNN-UHFFFAOYSA-N 1 0 383.945 2.667 20 0 GFADRO O=C(NC[C@@H]1CC[N@@H+]1C1CCOCC1)[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000885888749 663100497 /nfs/dbraw/zinc/10/04/97/663100497.db2.gz PITLGNFMKZIJJT-OKZBNKHCSA-N 1 0 393.325 2.922 20 0 GFADRO Cc1ccc(Br)cc1CC(=O)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000885888261 663100555 /nfs/dbraw/zinc/10/05/55/663100555.db2.gz FSMKBAPPHRZKAE-QGZVFWFLSA-N 1 0 381.314 2.670 20 0 GFADRO CO[C@@H](C(=O)NC[C@H]1CC[N@@H+]1C1CCOCC1)c1ccccc1Br ZINC000885890348 663100569 /nfs/dbraw/zinc/10/05/69/663100569.db2.gz BLGPXZYYNHJZLF-RHSMWYFYSA-N 1 0 397.313 2.506 20 0 GFADRO COc1ccc(Br)cc1C[C@H](CO)C[NH2+]Cc1[nH]nc(C)c1C ZINC000886136907 663103665 /nfs/dbraw/zinc/10/36/65/663103665.db2.gz YUGVTKQAYJJYEQ-ZDUSSCGKSA-N 1 0 382.302 2.738 20 0 GFADRO O=C1NCCC[C@@H]1C[NH2+]Cc1cc(Br)c(Br)s1 ZINC000886144647 663103885 /nfs/dbraw/zinc/10/38/85/663103885.db2.gz CTPLDTRKWIRQME-SSDOTTSWSA-N 1 0 382.121 2.889 20 0 GFADRO O[C@@H](C[NH2+]Cc1cc(Br)c(Br)s1)[C@@H]1CCCO1 ZINC000886168367 663103988 /nfs/dbraw/zinc/10/39/88/663103988.db2.gz OKRXAPYMUDGKST-UWVGGRQHSA-N 1 0 385.121 2.903 20 0 GFADRO Cc1nn(-c2ccccc2Br)cc1C[NH2+][C@@H](CO)C[C@@H]1CCCO1 ZINC000886219924 663104998 /nfs/dbraw/zinc/10/49/98/663104998.db2.gz AFLGBCVMMDRPRD-CVEARBPZSA-N 1 0 394.313 2.963 20 0 GFADRO CCOc1cc(C[NH2+][C@@H](CO)C[C@H]2CCCO2)cc(Br)c1OC ZINC000886232562 663105456 /nfs/dbraw/zinc/10/54/56/663105456.db2.gz YXUUTFHRJASHED-ZIAGYGMSSA-N 1 0 388.302 2.876 20 0 GFADRO CCC1([NH+]2CCC2)CCN([C@@H](C(N)=O)c2cccc(Br)c2)CC1 ZINC000886716006 663116107 /nfs/dbraw/zinc/11/61/07/663116107.db2.gz LPOULZZKWYAOEW-MRXNPFEDSA-N 1 0 380.330 2.926 20 0 GFADRO COc1ccc([C@H](C)[NH2+]CC2(S(=O)(=O)N(C)C)CC2)cc1Br ZINC000886732984 663116406 /nfs/dbraw/zinc/11/64/06/663116406.db2.gz WTPFFRDMBXFGFS-NSHDSACASA-N 1 0 391.331 2.532 20 0 GFADRO CCC[N@@H+]1CCC[C@@H](C(=O)NC2(c3ncc(Br)cn3)CCC2)C1 ZINC000886844284 663123094 /nfs/dbraw/zinc/12/30/94/663123094.db2.gz XURHTAIAEQWSAL-CYBMUJFWSA-N 1 0 381.318 2.857 20 0 GFADRO [NH3+]CCN(CC(=O)N1CCC[C@@H](C(F)(F)F)C1)Cc1cccc(Cl)c1 ZINC000886861998 663123192 /nfs/dbraw/zinc/12/31/92/663123192.db2.gz UMCBPVHLGAQNJP-CQSZACIVSA-N 1 0 377.838 2.902 20 0 GFADRO [NH3+]CCN(CC(=O)N1CCC[C@H](C(F)(F)F)C1)Cc1cccc(Cl)c1 ZINC000886861997 663123239 /nfs/dbraw/zinc/12/32/39/663123239.db2.gz UMCBPVHLGAQNJP-AWEZNQCLSA-N 1 0 377.838 2.902 20 0 GFADRO Cc1cc(Br)ccc1CS(=O)(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000886882097 663123318 /nfs/dbraw/zinc/12/33/18/663123318.db2.gz DPBKWTCZAIFJPJ-STQMWFEESA-N 1 0 375.332 2.565 20 0 GFADRO CCCCCOc1ccc(S(=O)(=O)NC[C@@H]2C[NH2+]CCC2(F)F)cc1 ZINC000886896211 663123961 /nfs/dbraw/zinc/12/39/61/663123961.db2.gz BKDURGYOEHQFGJ-AWEZNQCLSA-N 1 0 376.469 2.779 20 0 GFADRO O=S(=O)(c1cc(F)ccc1Br)N1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886901146 663124206 /nfs/dbraw/zinc/12/42/06/663124206.db2.gz QVIULRGINVQHBQ-HNNXBMFYSA-N 1 0 391.306 2.743 20 0 GFADRO COC[C@H]([NH2+]C[C@H](O)c1ccc(F)c(Br)c1)[C@H]1CCCOC1 ZINC000886915385 663124806 /nfs/dbraw/zinc/12/48/06/663124806.db2.gz CZMSBDHYVHDNPQ-RCBQFDQVSA-N 1 0 376.266 2.653 20 0 GFADRO [NH3+]C1(CNC(=O)C(=O)Nc2cc(Br)c3ccccc3c2)CCC1 ZINC000886984397 663127478 /nfs/dbraw/zinc/12/74/78/663127478.db2.gz YZJLLYJZIOFBLU-UHFFFAOYSA-N 1 0 376.254 2.538 20 0 GFADRO Cc1cc(Cl)c(NC(=O)C(=O)NC[C@@H]2C[NH2+]CCC2(F)F)cc1Cl ZINC000887034418 663129543 /nfs/dbraw/zinc/12/95/43/663129543.db2.gz UPPYLOGZGULQBU-VIFPVBQESA-N 1 0 380.222 2.601 20 0 GFADRO CS(=O)(=O)N1CCCc2cc(-c3csc([C@H]4CCC[NH2+]C4)n3)ccc21 ZINC000887275593 663140544 /nfs/dbraw/zinc/14/05/44/663140544.db2.gz KHRYPPVEVOJOCQ-HNNXBMFYSA-N 1 0 377.535 2.989 20 0 GFADRO C[C@@H](c1ccc(F)c(Br)c1)n1cc(CN2CCC[C@H]([NH3+])C2)nn1 ZINC000887419238 663145578 /nfs/dbraw/zinc/14/55/78/663145578.db2.gz HWVGBLRCEBJZDP-AAEUAGOBSA-N 1 0 382.281 2.712 20 0 GFADRO C[N@@H+]1C[C@@H]2CN(C(=O)c3ccn(-c4ccc(Br)cc4)n3)C[C@]2(C)C1 ZINC000887925632 663170242 /nfs/dbraw/zinc/17/02/42/663170242.db2.gz NREGAXCQOPFKRI-ACJLOTCBSA-N 1 0 389.297 2.659 20 0 GFADRO C[N@@H+]1C[C@@H]2CN(C(=O)c3cnn(-c4ccc(Br)cc4)c3)C[C@]2(C)C1 ZINC000887935108 663170668 /nfs/dbraw/zinc/17/06/68/663170668.db2.gz IIBVYKWQLMIJOS-KDOFPFPSSA-N 1 0 389.297 2.659 20 0 GFADRO Cn1ncc(Br)c1CC(=O)N(c1ccccc1)C1CC[NH+](C)CC1 ZINC000888272518 663185466 /nfs/dbraw/zinc/18/54/66/663185466.db2.gz NFIRWKMKYFLCEF-UHFFFAOYSA-N 1 0 391.313 2.853 20 0 GFADRO CN1CCN(C(=O)c2ccc3ccc(Br)cc3c2)CC[N@H+](C)CC1 ZINC000888977633 663227788 /nfs/dbraw/zinc/22/77/88/663227788.db2.gz JVPXQIJWBWRUTR-UHFFFAOYSA-N 1 0 390.325 2.922 20 0 GFADRO Cc1c2cc(Br)ccc2oc1C(=O)N1CCN(C)CCN(C)CC1 ZINC000888997398 663229212 /nfs/dbraw/zinc/22/92/12/663229212.db2.gz CCIVDKLSBUWCKX-UHFFFAOYSA-N 1 0 394.313 2.823 20 0 GFADRO O=C(c1oc2ccccc2c1Br)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000889745709 663262453 /nfs/dbraw/zinc/26/24/53/663262453.db2.gz YQBXMBFADYIJGG-UONOGXRCSA-N 1 0 393.281 2.867 20 0 GFADRO Cc1ccc(F)c(Br)c1C(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000889743288 663262497 /nfs/dbraw/zinc/26/24/97/663262497.db2.gz NCBIPZJTQDXLCZ-KBPBESRZSA-N 1 0 385.277 2.568 20 0 GFADRO O=C(CSc1cccc(Br)c1)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000889760171 663264284 /nfs/dbraw/zinc/26/42/84/663264284.db2.gz CBHWLJQPGCSQTO-CVEARBPZSA-N 1 0 399.354 2.599 20 0 GFADRO O=C(c1ccc(Cl)c(Br)c1)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000889764404 663264908 /nfs/dbraw/zinc/26/49/08/663264908.db2.gz RFHCSPQXTBPRNL-GJZGRUSLSA-N 1 0 387.705 2.774 20 0 GFADRO O=C(c1cc(Cl)ccc1Br)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000889775130 663265971 /nfs/dbraw/zinc/26/59/71/663265971.db2.gz LKJKFHHPORIYLX-GJZGRUSLSA-N 1 0 387.705 2.774 20 0 GFADRO O=C(CNC(=O)c1ccc(Cl)c(Cl)c1)N1CCC([NH2+]C2CCC2)CC1 ZINC000889838792 663271255 /nfs/dbraw/zinc/27/12/55/663271255.db2.gz PKVLHGKLQKZNKK-UHFFFAOYSA-N 1 0 384.307 2.856 20 0 GFADRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)C(=O)Nc2cccc(F)c2Br)C1 ZINC000889997222 663280172 /nfs/dbraw/zinc/28/01/72/663280172.db2.gz JLGQJVBKMJGOJB-QWRGUYRKSA-N 1 0 386.265 2.516 20 0 GFADRO COc1cc(Br)c(C(=O)NCC[N@@H+]2CCC(C)(C)C2)cc1OC ZINC000890069152 663283195 /nfs/dbraw/zinc/28/31/95/663283195.db2.gz PONLFDSKGBXGCO-UHFFFAOYSA-N 1 0 385.302 2.928 20 0 GFADRO C[C@@H](C[NH+](C)C)NC(=O)C(=O)Nc1cc(Br)c2ccccc2c1 ZINC000890283384 663293691 /nfs/dbraw/zinc/29/36/91/663293691.db2.gz JIBREKJJXHMEFO-NSHDSACASA-N 1 0 378.270 2.607 20 0 GFADRO CC[NH+]1CCC(NC(=O)c2cccnc2Br)(C(F)(F)F)CC1 ZINC000891209026 663329921 /nfs/dbraw/zinc/32/99/21/663329921.db2.gz HULPQOZMMUNROD-UHFFFAOYSA-N 1 0 380.208 2.991 20 0 GFADRO CC1([NH+]2CCC2)CCN(C(=O)C(=O)Nc2cccc(F)c2Br)CC1 ZINC000891308984 663334627 /nfs/dbraw/zinc/33/46/27/663334627.db2.gz IJWKDBRFKKDCPT-UHFFFAOYSA-N 1 0 398.276 2.614 20 0 GFADRO C[C@@H](NC(=O)NCCC(C)(C)[NH3+])c1cc2c(cc1Br)OCCO2 ZINC000891395100 663338265 /nfs/dbraw/zinc/33/82/65/663338265.db2.gz OYCFMIGNHRVQHR-SNVBAGLBSA-N 1 0 386.290 2.708 20 0 GFADRO CCN(C(=O)NC[C@@H]1CCN(c2cccc(Br)c2)C1)[C@H]1CC[NH2+]C1 ZINC000891426590 663339384 /nfs/dbraw/zinc/33/93/84/663339384.db2.gz SGFNFOGYWMIXII-YOEHRIQHSA-N 1 0 395.345 2.669 20 0 GFADRO COCCC1(NC(=O)N[C@H](C)Cc2cccc(Br)c2)CC[NH2+]CC1 ZINC000891437755 663339565 /nfs/dbraw/zinc/33/95/65/663339565.db2.gz JWIOLFHGSGSVHN-CQSZACIVSA-N 1 0 398.345 2.838 20 0 GFADRO [NH3+]C[C@H]1CC[C@H](NC(=O)NCc2cc(Br)c3c(c2)OCCO3)CC1 ZINC000891446595 663339736 /nfs/dbraw/zinc/33/97/36/663339736.db2.gz PIIQDBASPDOPBA-AULYBMBSSA-N 1 0 398.301 2.537 20 0 GFADRO COc1ccc(CNC(=O)NC[C@H]2C[NH2+]CCC2(F)F)cc1Br ZINC000891484318 663340798 /nfs/dbraw/zinc/34/07/98/663340798.db2.gz ULBRPPXFAMWPPF-LLVKDONJSA-N 1 0 392.244 2.502 20 0 GFADRO CSCc1cc(F)ccc1CNC(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000891666012 663346737 /nfs/dbraw/zinc/34/67/37/663346737.db2.gz YAKORSHWWQHYAG-TZMCWYRMSA-N 1 0 379.423 2.967 20 0 GFADRO C[C@H](NC(=O)N1C[C@H]([NH3+])C[C@@H]1C)c1nc(-c2ccc(Br)cc2)no1 ZINC000891680044 663346957 /nfs/dbraw/zinc/34/69/57/663346957.db2.gz CKAOWOFYQVLSDM-OUJBWJOFSA-N 1 0 394.273 2.691 20 0 GFADRO COCC(=O)NC1CC[NH+](CC(C)(C)c2ccc(Br)cc2)CC1 ZINC000891720079 663348708 /nfs/dbraw/zinc/34/87/08/663348708.db2.gz KDYLKEJVZLWGEQ-UHFFFAOYSA-N 1 0 383.330 2.954 20 0 GFADRO CC[NH+](CC)[C@@H](CNC(=O)NCc1ncc(Br)cn1)CC(C)C ZINC000891755735 663349417 /nfs/dbraw/zinc/34/94/17/663349417.db2.gz ZDPIOPHXCXJQOG-CQSZACIVSA-N 1 0 386.338 2.795 20 0 GFADRO CCN(C(=O)NCc1cnn(-c2ccc(Br)cc2)c1)[C@@H]1CC[NH2+]C1 ZINC000891858035 663353179 /nfs/dbraw/zinc/35/31/79/663353179.db2.gz KCCZZAXPLFYYGZ-MRXNPFEDSA-N 1 0 392.301 2.528 20 0 GFADRO [NH3+]CC12CCC(CC1)N2C(=O)N[C@H]1CCOc2c(Br)cccc21 ZINC000891881615 663353986 /nfs/dbraw/zinc/35/39/86/663353986.db2.gz FGPQZZQNACOEFG-WKXXDYOBSA-N 1 0 380.286 2.938 20 0 GFADRO O=C(N[C@@H]1CCOc2c(Br)cccc21)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000891883018 663354218 /nfs/dbraw/zinc/35/42/18/663354218.db2.gz XVMQBFHKUPEKTD-KEYYUXOJSA-N 1 0 380.286 2.857 20 0 GFADRO O=C(NC[C@@H]1CCC[NH2+]1)N1CC2(CCOCC2)c2ccc(Br)cc21 ZINC000892004880 663358227 /nfs/dbraw/zinc/35/82/27/663358227.db2.gz JFVVTFYRQBICQL-AWEZNQCLSA-N 1 0 394.313 2.779 20 0 GFADRO C[C@H]1C[C@H](NC(=O)NCc2ccn(-c3ccc(Br)cc3)n2)CC[NH2+]1 ZINC000892094688 663361469 /nfs/dbraw/zinc/36/14/69/663361469.db2.gz BQHLLUUOKLWTKY-GXTWGEPZSA-N 1 0 392.301 2.575 20 0 GFADRO O=C(NCc1cc(C(F)(F)F)cc(Cl)n1)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000892186841 663364992 /nfs/dbraw/zinc/36/49/92/663364992.db2.gz DICQZMRKNQWQTQ-JBLDHEPKSA-N 1 0 376.810 2.941 20 0 GFADRO C[NH2+]C[C@@H]1CCCN(C(=O)N[C@@H]2[C@@H]3Cc4c(cccc4Br)[C@@H]32)C1 ZINC000892322063 663369100 /nfs/dbraw/zinc/36/91/00/663369100.db2.gz IDMUUEFHGPADRI-WGHIXYSZSA-N 1 0 378.314 2.728 20 0 GFADRO O=C(N[C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000892322770 663369265 /nfs/dbraw/zinc/36/92/65/663369265.db2.gz PRNMRXCNSDWVDL-QQDQCYIDSA-N 1 0 376.298 2.623 20 0 GFADRO [NH3+]C[C@H]1CC[C@H](NC(=O)N2CCC(n3cc(Br)cn3)CC2)CC1 ZINC000892446748 663374011 /nfs/dbraw/zinc/37/40/11/663374011.db2.gz PJLVHTUALVQWMZ-MQMHXKEQSA-N 1 0 384.322 2.510 20 0 GFADRO [NH3+][C@H]1C[C@@H](CNC(=O)N2CCC[C@@H]2C(=O)Nc2cc(Cl)cc(Cl)c2)C1 ZINC000892561719 663377275 /nfs/dbraw/zinc/37/72/75/663377275.db2.gz QDDJWAKZFULMLV-RIEGTJTDSA-N 1 0 385.295 2.843 20 0 GFADRO [NH3+][C@H]1C[C@@H](CNC(=O)N2CCO[C@@H](c3cc(F)c(Cl)cc3Cl)C2)C1 ZINC000892563088 663377447 /nfs/dbraw/zinc/37/74/47/663377447.db2.gz SENYXOHFAQJLSI-HFBDOXOYSA-N 1 0 376.259 2.953 20 0 GFADRO C[C@]1(NC(=O)[C@H]2[C@@H]3c4cccc(Br)c4C[C@H]23)C[NH+]2CCC1CC2 ZINC000892763187 663383844 /nfs/dbraw/zinc/38/38/44/663383844.db2.gz LYWRNLKDKSZGQI-WFEDQXDTSA-N 1 0 375.310 2.935 20 0 GFADRO COc1ccc(C[NH2+]CCCNC(=O)c2ccc(Br)cc2)nc1 ZINC000892816539 663385645 /nfs/dbraw/zinc/38/56/45/663385645.db2.gz UHAYMXVSZWZYAE-UHFFFAOYSA-N 1 0 378.270 2.762 20 0 GFADRO C[C@H]([NH2+]C[C@@H]1C[C@@]1(C)Br)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000892858004 663387077 /nfs/dbraw/zinc/38/70/77/663387077.db2.gz MWVULEQZXZGNHM-CORIIIEPSA-N 1 0 375.332 2.761 20 0 GFADRO CN(C)c1nc(C(F)(F)F)ccc1C[NH2+][C@H]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000893002054 663392735 /nfs/dbraw/zinc/39/27/35/663392735.db2.gz UVMTVIMHLXGZCZ-QWHCGFSZSA-N 1 0 379.448 2.612 20 0 GFADRO C[C@H]([NH2+]C[C@@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000893274288 663404902 /nfs/dbraw/zinc/40/49/02/663404902.db2.gz NQLGOEUEVCMWAP-FRQROOTJSA-N 1 0 388.936 2.885 20 0 GFADRO C[N@@H+]1CCN(CCNc2ncc(Br)c3cccnc32)CC1(C)C ZINC000893684985 663420123 /nfs/dbraw/zinc/42/01/23/663420123.db2.gz HFYZOXXUKCSEQV-UHFFFAOYSA-N 1 0 378.318 2.830 20 0 GFADRO C[C@H]1[C@H]([NH+](C)C)CCN1c1ncnc2c1c(Br)nn2C(C)(C)C ZINC000893979283 663435022 /nfs/dbraw/zinc/43/50/22/663435022.db2.gz ACZULJWDJCSXCJ-WDEREUQCSA-N 1 0 381.322 2.873 20 0 GFADRO OC[C@@H](C[NH2+]Cc1cc(Br)ccc1Br)[C@@H]1CCOC1 ZINC000894191366 663447582 /nfs/dbraw/zinc/44/75/82/663447582.db2.gz XSPBPNZIERSEBP-ZYHUDNBSSA-N 1 0 393.119 2.946 20 0 GFADRO CC[N@H+](C)Cc1cccc(CNCc2cn(C)nc2I)c1 ZINC000894242084 663450476 /nfs/dbraw/zinc/45/04/76/663450476.db2.gz RVMRUKSRHPAPMT-UHFFFAOYSA-N 1 0 398.292 2.766 20 0 GFADRO COc1cc(Br)ccc1CNC(=O)N1CCC12CC[NH+](C)CC2 ZINC000894304874 663453345 /nfs/dbraw/zinc/45/33/45/663453345.db2.gz BTEVTAWEXZVZJF-UHFFFAOYSA-N 1 0 382.302 2.837 20 0 GFADRO C[C@@H](O)C[C@@H](C[NH2+]Cc1c(I)cnn1C)c1ccccc1 ZINC000894339667 663455618 /nfs/dbraw/zinc/45/56/18/663455618.db2.gz GOSGSECGKNUIFG-OCCSQVGLSA-N 1 0 399.276 2.669 20 0 GFADRO C[C@@H]([NH2+]Cc1sc(N2CCOCC2)nc1Cl)[C@H](O)Cc1ccccc1 ZINC000894358810 663457294 /nfs/dbraw/zinc/45/72/94/663457294.db2.gz KNITVXNCQIOCDR-UKRRQHHQSA-N 1 0 381.929 2.715 20 0 GFADRO COc1cc(Br)ccc1[C@@H](C)NC(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000894361744 663457869 /nfs/dbraw/zinc/45/78/69/663457869.db2.gz OZLCCPVNEYNXHG-UPJWGTAASA-N 1 0 382.302 2.722 20 0 GFADRO CCn1cc(C[NH2+]CCNS(=O)(=O)c2cccc(Cl)c2Cl)c(C)n1 ZINC000894402937 663460093 /nfs/dbraw/zinc/46/00/93/663460093.db2.gz NVCBPFKHXKZBOX-UHFFFAOYSA-N 1 0 391.324 2.586 20 0 GFADRO Cn1ncc(I)c1C[NH2+]CCc1ccc2[nH]ccc2c1 ZINC000894663868 663475230 /nfs/dbraw/zinc/47/52/30/663475230.db2.gz UETVFQNOYDEADO-UHFFFAOYSA-N 1 0 380.233 2.838 20 0 GFADRO CC(C)[C@H]([NH2+]Cc1cnn2cc(Br)cnc12)[C@H](O)C(F)(F)F ZINC000894681205 663475826 /nfs/dbraw/zinc/47/58/26/663475826.db2.gz NSFDRAWILKFUTK-QWRGUYRKSA-N 1 0 381.196 2.529 20 0 GFADRO C[C@@H]1C[C@@H](CC[NH2+]Cc2c(I)cnn2C)C[C@H](C)O1 ZINC000894684630 663476285 /nfs/dbraw/zinc/47/62/85/663476285.db2.gz NPHMUCPJRMLMTD-ZSBIGDGJSA-N 1 0 377.270 2.708 20 0 GFADRO C[C@]1(C[C@H]2CCC[N@@H+]2Cc2cc3ccnc(Cl)c3s2)NC(=O)NC1=O ZINC000894748726 663479443 /nfs/dbraw/zinc/47/94/43/663479443.db2.gz QQFMBHKTHSYSIJ-PIGZYNQJSA-N 1 0 378.885 2.902 20 0 GFADRO O=S(=O)(NC[C@@H]1CCC[N@@H+](Cc2cc3c(cccc3O)s2)C1)C1CC1 ZINC000894785109 663481529 /nfs/dbraw/zinc/48/15/29/663481529.db2.gz RGHKHDPTQPWUNA-ZDUSSCGKSA-N 1 0 380.535 2.901 20 0 GFADRO COCO[C@H](C)c1cc(F)c(C[NH2+]C[C@H]2COCO2)cc1Br ZINC000894886067 663486754 /nfs/dbraw/zinc/48/67/54/663486754.db2.gz BVJJURRRNASPST-PWSUYJOCSA-N 1 0 378.238 2.732 20 0 GFADRO C[C@H](Nc1ncc(Br)cc1C(F)(F)F)[C@H]1C[N@H+](C)CCN1C ZINC000895249608 663505330 /nfs/dbraw/zinc/50/53/30/663505330.db2.gz SOYQNHAFIVDSBF-JOYOIKCWSA-N 1 0 381.240 2.909 20 0 GFADRO CC(=O)Nc1cc(Br)ccc1C[N@@H+]1CC[C@H](Cn2ccnn2)C1 ZINC000895310226 663507349 /nfs/dbraw/zinc/50/73/49/663507349.db2.gz MQKRTOSBQHMQBS-ZDUSSCGKSA-N 1 0 378.274 2.521 20 0 GFADRO COc1sc(C[NH2+]CCN2C[C@H]3CCCCN3C2=O)cc1Br ZINC000895342130 663509060 /nfs/dbraw/zinc/50/90/60/663509060.db2.gz MPWYNFWOLVRUJS-LLVKDONJSA-N 1 0 388.331 2.899 20 0 GFADRO [O-]c1cc(Br)cnc1C[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000895347908 663509469 /nfs/dbraw/zinc/50/94/69/663509469.db2.gz VJYROMMDGQZZIH-UHFFFAOYSA-N 1 0 391.313 2.947 20 0 GFADRO Cn1ncc(I)c1CNC[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000895391153 663511399 /nfs/dbraw/zinc/51/13/99/663511399.db2.gz UDZBFRLVTMBDGV-CYBMUJFWSA-N 1 0 388.297 2.521 20 0 GFADRO COC(=O)c1ccc(CN2CC[C@H]3CC[C@@H](C2)[S@]3=O)c(C(F)(F)F)c1 ZINC000895404302 663512021 /nfs/dbraw/zinc/51/20/21/663512021.db2.gz DDMMRBDKQRFFPX-JXQWACKNSA-N 1 0 375.412 2.977 20 0 GFADRO CN1Cc2ccccc2[C@H]1C[NH2+]Cc1sc(N2CCOCC2)nc1Cl ZINC000895457276 663515336 /nfs/dbraw/zinc/51/53/36/663515336.db2.gz DMMNFRZPIIQXSA-OAHLLOKOSA-N 1 0 378.929 2.909 20 0 GFADRO Cn1nc(Br)nc1C[NH2+][C@@H]1[C@H]2Cc3ccc(Br)cc3[C@@H]12 ZINC000895462094 663515516 /nfs/dbraw/zinc/51/55/16/663515516.db2.gz JGORSCPAOJAYPW-CYZMBNFOSA-N 1 0 398.102 2.768 20 0 GFADRO Cn1cc(C(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)c(Br)n1 ZINC000895469303 663516321 /nfs/dbraw/zinc/51/63/21/663516321.db2.gz YBFOTINKROYKMR-OAHLLOKOSA-N 1 0 377.286 2.750 20 0 GFADRO CC(C)[NH+]1CCC(NC(=O)[C@H]2Cc3ccc(Br)cc3C(=O)O2)CC1 ZINC000895521037 663517726 /nfs/dbraw/zinc/51/77/26/663517726.db2.gz CTIILEMKGSJHFA-MRXNPFEDSA-N 1 0 395.297 2.520 20 0 GFADRO O=C(COCCc1ccc(Br)cc1)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000895696938 663523648 /nfs/dbraw/zinc/52/36/48/663523648.db2.gz JEGLZCIHUMSQBC-HNNXBMFYSA-N 1 0 381.314 2.609 20 0 GFADRO CCO/C=C/[C@](O)(C[NH2+]Cc1ccc2c(c1)sc(=O)n2C)C(F)(F)F ZINC000895713451 663524832 /nfs/dbraw/zinc/52/48/32/663524832.db2.gz LKMAPGNXBKERIH-LFAOLKIESA-N 1 0 376.400 2.533 20 0 GFADRO O=C1NCC2(CCOCC2)[C@H]1[NH2+]Cc1cc2cc(Br)ccc2o1 ZINC000895765577 663526810 /nfs/dbraw/zinc/52/68/10/663526810.db2.gz MPRVXTFUBAEWMF-HNNXBMFYSA-N 1 0 379.254 2.580 20 0 GFADRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1nn2c(c1Br)CCC2 ZINC000895855005 663530335 /nfs/dbraw/zinc/53/03/35/663530335.db2.gz PLRKHDMZTKAMQS-XQQFMLRXSA-N 1 0 383.334 2.688 20 0 GFADRO COC[C@H]([NH2+]Cc1ccc(C(=O)OC)c(Br)c1)[C@@H]1CCCOC1 ZINC000895858489 663530664 /nfs/dbraw/zinc/53/06/64/663530664.db2.gz JPJBJVJJHBCKAB-CJNGLKHVSA-N 1 0 386.286 2.767 20 0 GFADRO COc1cc(CNC(=O)[C@H]2CC[N@@H+]2C(C)(C)C)cc(Br)c1OC ZINC000896028090 663538017 /nfs/dbraw/zinc/53/80/17/663538017.db2.gz QZYHNPLEEXTPRA-CYBMUJFWSA-N 1 0 385.302 2.955 20 0 GFADRO C[NH+]1CCC2(CCN2C(=O)N[C@H]2COc3cccc(Br)c3C2)CC1 ZINC000896244258 663546501 /nfs/dbraw/zinc/54/65/01/663546501.db2.gz GRPFRNXGWSNJJY-CYBMUJFWSA-N 1 0 394.313 2.632 20 0 GFADRO C[C@H](NC(=O)C(F)(F)c1cccc(Cl)c1Cl)[C@@H]1C[N@H+](C)CCN1C ZINC000896534164 663561936 /nfs/dbraw/zinc/56/19/36/663561936.db2.gz KSWZSHFSQDNSNZ-GWCFXTLKSA-N 1 0 380.266 2.836 20 0 GFADRO Cc1cc(C(C)(C)C(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCN2C)ccc1Br ZINC000896537763 663562150 /nfs/dbraw/zinc/56/21/50/663562150.db2.gz BJLSOKLJQPSFNS-WMLDXEAASA-N 1 0 396.373 2.786 20 0 GFADRO Cc1cc(C(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCN2C)cc(Cl)c1Br ZINC000896543387 663562549 /nfs/dbraw/zinc/56/25/49/663562549.db2.gz XFSJXAVDBWGFMN-SMDDNHRTSA-N 1 0 388.737 2.775 20 0 GFADRO CC[C@H](Cc1ccccc1Br)C(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCN1C ZINC000896557124 663564377 /nfs/dbraw/zinc/56/43/77/663564377.db2.gz RYQKOHQVKWPICG-HDMKZQKVSA-N 1 0 396.373 2.768 20 0 GFADRO COC(=O)c1ccc(C[NH2+]C[C@@]2(OC(C)C)CCOC2)cc1Br ZINC000896667596 663570465 /nfs/dbraw/zinc/57/04/65/663570465.db2.gz NZLVAQIJBCWPKP-KRWDZBQOSA-N 1 0 386.286 2.909 20 0 GFADRO Cc1[nH+]cc2n1C[C@H](c1nc([C@@H](C)n3cc(Br)cn3)no1)CC2 ZINC000896700293 663572341 /nfs/dbraw/zinc/57/23/41/663572341.db2.gz FAILZSWITYNSFL-MWLCHTKSSA-N 1 0 377.246 2.873 20 0 GFADRO CC[N@H+](CCC(N)=O)Cc1cc(Br)c([C@H](C)OCOC)cc1F ZINC000896707577 663572891 /nfs/dbraw/zinc/57/28/91/663572891.db2.gz VVOQEWGCFFWGBB-NSHDSACASA-N 1 0 391.281 2.967 20 0 GFADRO C[C@@H](C[NH2+]C[C@H]1CCCN1CC(F)(F)F)c1ccc(S(C)(=O)=O)cc1 ZINC000896838165 663578864 /nfs/dbraw/zinc/57/88/64/663578864.db2.gz CGIVZRMQPCLSGL-DZGCQCFKSA-N 1 0 378.460 2.810 20 0 GFADRO CSc1cc(Br)ccc1C[NH+]1CCC2(CC1)C[C@H](O)CNC2=O ZINC000897042730 663587923 /nfs/dbraw/zinc/58/79/23/663587923.db2.gz OWTNRYYZJVNNSL-AWEZNQCLSA-N 1 0 399.354 2.634 20 0 GFADRO COC(=O)c1ccc(CNC[C@H]2CC[N@@H+]2C2CCOCC2)c(Br)c1 ZINC000897227190 663596201 /nfs/dbraw/zinc/59/62/01/663596201.db2.gz BZPIWDANTBIHQP-MRXNPFEDSA-N 1 0 397.313 2.579 20 0 GFADRO C[N@@H+]1CC[C@H](NC(=O)c2nn3c(c2Br)CCC3)[C@@H]1c1ccccc1 ZINC000897241413 663596641 /nfs/dbraw/zinc/59/66/41/663596641.db2.gz YZXFLNIAKHXLMG-GUYCJALGSA-N 1 0 389.297 2.767 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)C(=O)NCc1cscc1Cl)c1ccc(F)cc1 ZINC000897449237 663606257 /nfs/dbraw/zinc/60/62/57/663606257.db2.gz RLPOHWMDVHQVTB-OAHLLOKOSA-N 1 0 383.876 2.576 20 0 GFADRO Cn1cc(C[NH2+]CC[C@H]2CCC(C)(C)CO2)c(I)n1 ZINC000897474341 663607085 /nfs/dbraw/zinc/60/70/85/663607085.db2.gz RAGGQMGTCWENDI-GFCCVEGCSA-N 1 0 377.270 2.710 20 0 GFADRO CCO[P@](C)(=O)CC[C@H](C)[NH2+][C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1OC ZINC000897651641 663614750 /nfs/dbraw/zinc/61/47/50/663614750.db2.gz HZLVRJUYVMOONV-MCMJPZDASA-N 1 0 378.450 2.933 20 0 GFADRO CO[C@@H]1CCOC[C@H]1[NH2+]Cc1cn(-c2ccc(Br)cc2)nc1C ZINC000897891948 663624386 /nfs/dbraw/zinc/62/43/86/663624386.db2.gz ZGTUZCCGPRSPLU-IAGOWNOFSA-N 1 0 380.286 2.837 20 0 GFADRO O=C(N[C@@H]1CCc2c1ccc(F)c2Br)C1C[NH+](C2CCOCC2)C1 ZINC000897909313 663625299 /nfs/dbraw/zinc/62/52/99/663625299.db2.gz MUDGODUDPJMCTA-MRXNPFEDSA-N 1 0 397.288 2.803 20 0 GFADRO COc1nn(C)cc1C[NH2+][C@@H]1CCc2ccc(I)cc21 ZINC000898025742 663630738 /nfs/dbraw/zinc/63/07/38/663630738.db2.gz OSIQHWUWAGXGLC-CQSZACIVSA-N 1 0 383.233 2.810 20 0 GFADRO Cc1cc(Br)ccc1CC(=O)N1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000898116082 663634284 /nfs/dbraw/zinc/63/42/84/663634284.db2.gz ZBOZZQJJLLGQEJ-UHFFFAOYSA-N 1 0 395.341 2.653 20 0 GFADRO O=c1cc(N2CC[C@@H]([NH2+][C@H]3CCc4c3ccc(F)c4Br)C2)nc[nH]1 ZINC000898151696 663635995 /nfs/dbraw/zinc/63/59/95/663635995.db2.gz TWOBMVSTNFELKY-YGRLFVJLSA-N 1 0 393.260 2.940 20 0 GFADRO O=c1[nH]ncc(N2CC[C@@H]([NH2+]Cc3cc(Cl)cc4c3OCC4)C2)c1Cl ZINC000898366953 663644865 /nfs/dbraw/zinc/64/48/65/663644865.db2.gz ITGUWLYRPOLVRJ-CYBMUJFWSA-N 1 0 381.263 2.792 20 0 GFADRO O=c1[nH]ncc(N2CC[C@@H]([NH2+]Cc3cn4cc(Cl)ccc4n3)C2)c1Cl ZINC000898365336 663644916 /nfs/dbraw/zinc/64/49/16/663644916.db2.gz ZWLPUCNMPPNWQY-LLVKDONJSA-N 1 0 379.251 2.505 20 0 GFADRO CCOP(=O)(CCC[NH2+][C@H]1CCN(c2cn[nH]c(=O)c2Cl)C1)OCC ZINC000898369621 663645109 /nfs/dbraw/zinc/64/51/09/663645109.db2.gz ZYVUJQZQLYHLRM-LBPRGKRZSA-N 1 0 392.824 2.660 20 0 GFADRO C[C@@H]([NH2+][C@@H](CO)c1ccccc1I)C1CCOCC1 ZINC000898512869 663654265 /nfs/dbraw/zinc/65/42/65/663654265.db2.gz NRQJCELJGQXJEQ-ABAIWWIYSA-N 1 0 375.250 2.729 20 0 GFADRO O=C(c1cn(-c2ccc(Br)cc2)cn1)N1CC([NH+]2CCCC2)C1 ZINC000898608426 663657736 /nfs/dbraw/zinc/65/77/36/663657736.db2.gz TUHUCWBKFCOUHY-UHFFFAOYSA-N 1 0 375.270 2.555 20 0 GFADRO Brc1cnc2n1C[C@@H]([NH2+]Cc1ccc(O[C@@H]3CCOC3)cc1)CC2 ZINC000898719486 663660287 /nfs/dbraw/zinc/66/02/87/663660287.db2.gz GCNSYQUHNPOCPI-GOEBONIOSA-N 1 0 392.297 2.918 20 0 GFADRO C[NH+](C)[C@H]1C[C@@H](NC(=O)c2c(Br)nc3n2CCCC3)C12CCC2 ZINC000898830240 663665771 /nfs/dbraw/zinc/66/57/71/663665771.db2.gz OBRAFOOURMBSJS-NEPJUHHUSA-N 1 0 381.318 2.585 20 0 GFADRO CC(C)(CNC(=O)c1cc(F)ccc1I)n1ccnc1 ZINC000898902943 663669057 /nfs/dbraw/zinc/66/90/57/663669057.db2.gz WXMRCZGFQMARKY-UHFFFAOYSA-N 1 0 387.196 2.792 20 0 GFADRO CN1CCN(C(=S)Nc2ccc(OC(F)F)c(Cl)c2)CC[N@H+](C)CC1 ZINC000899654490 663697685 /nfs/dbraw/zinc/69/76/85/663697685.db2.gz RTUXOAVSNLKGKP-UHFFFAOYSA-N 1 0 392.903 2.817 20 0 GFADRO [NH3+][C@@H](c1cn([C@H]2CCOc3ccc(Br)cc32)nn1)[C@@H]1CCCO1 ZINC000899738785 663699845 /nfs/dbraw/zinc/69/98/45/663699845.db2.gz JFQYIZFYZJBHKW-BPUTZDHNSA-N 1 0 379.258 2.591 20 0 GFADRO O=C(CN1CSCCSC1)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000900186743 663709387 /nfs/dbraw/zinc/70/93/87/663709387.db2.gz DIJWFRMQGKCCOJ-UHFFFAOYSA-N 1 0 379.595 2.507 20 0 GFADRO O=C(NC1(c2cccc(Br)c2)CCOCC1)C12CC[NH+](CC1)C2 ZINC000900418919 663714279 /nfs/dbraw/zinc/71/42/79/663714279.db2.gz SHMSQJZMRRNYBE-UHFFFAOYSA-N 1 0 379.298 2.667 20 0 GFADRO C[NH+](C)CCn1cc(NC(=O)Cc2c[nH]c3ccc(Br)cc23)cn1 ZINC000900474340 663715221 /nfs/dbraw/zinc/71/52/21/663715221.db2.gz PAAJIKUYZYOFLJ-UHFFFAOYSA-N 1 0 390.285 2.870 20 0 GFADRO C[N@@H+]1CCCN(CCCNC(=O)CCCc2ccc(Br)cc2)CC1 ZINC000900696246 663719973 /nfs/dbraw/zinc/71/99/73/663719973.db2.gz UFQKJCXUSPIBNX-UHFFFAOYSA-N 1 0 396.373 2.916 20 0 GFADRO C[N@@H+]1CCC[C@@](O)(CC(=O)Nc2nnc(Cc3cccc(Cl)c3)s2)C1 ZINC000900875150 663723194 /nfs/dbraw/zinc/72/31/94/663723194.db2.gz DTABFKBSDWWUDI-QGZVFWFLSA-N 1 0 380.901 2.568 20 0 GFADRO Cc1ccc(F)c(Br)c1C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000901057148 663729620 /nfs/dbraw/zinc/72/96/20/663729620.db2.gz DDDHCAFUSRGLLA-ZDUSSCGKSA-N 1 0 385.277 2.880 20 0 GFADRO Cc1cccc(NC(=O)[C@H](C)[NH2+][C@@H]2CCc3ncc(Br)n3C2)c1 ZINC000901726776 663743543 /nfs/dbraw/zinc/74/35/43/663743543.db2.gz AUTGQEMNBAYTRJ-GXTWGEPZSA-N 1 0 377.286 2.886 20 0 GFADRO C[C@@H]([NH2+][C@@H]1CCc2ncc(Br)n2C1)C(=O)N[C@H](C)c1ccccc1 ZINC000901727136 663743698 /nfs/dbraw/zinc/74/36/98/663743698.db2.gz CUGMDSZWIWPHJO-UMVBOHGHSA-N 1 0 391.313 2.816 20 0 GFADRO O=C(NC1CC1)[C@@H]([NH2+][C@H]1CCc2ncc(Br)n2C1)c1ccccc1 ZINC000901729685 663743996 /nfs/dbraw/zinc/74/39/96/663743996.db2.gz SEFWABOIXBQLIM-YOEHRIQHSA-N 1 0 389.297 2.570 20 0 GFADRO C[C@H]([NH2+][C@H]1CCc2ncc(Br)n2C1)C(=O)Nc1ccc(Cl)cn1 ZINC000901728955 663744004 /nfs/dbraw/zinc/74/40/04/663744004.db2.gz QDIAEAJEBVBUOY-ONGXEEELSA-N 1 0 398.692 2.626 20 0 GFADRO C[C@H]([NH2+][C@H]1CCc2ncc(Br)n2C1)C(=O)Nc1ccc(F)cc1F ZINC000901730920 663744162 /nfs/dbraw/zinc/74/41/62/663744162.db2.gz YOPCCQKYSNDOIA-ONGXEEELSA-N 1 0 399.239 2.855 20 0 GFADRO CC1(C)C[NH2+]CC[C@H](NCc2cc(C(F)(F)F)cc(S(C)(=O)=O)c2)C1 ZINC000902385388 663760646 /nfs/dbraw/zinc/76/06/46/663760646.db2.gz TXGHWOSBYQKGSO-AWEZNQCLSA-N 1 0 378.460 2.977 20 0 GFADRO C[C@H]([NH2+]Cc1c(I)cnn1C)[C@@H]1COc2ccccc2C1 ZINC000903080546 663772634 /nfs/dbraw/zinc/77/26/34/663772634.db2.gz PORKJOMIRZBKJR-AAEUAGOBSA-N 1 0 397.260 2.754 20 0 GFADRO Cc1noc(CCC[NH2+][C@@H](C)c2cccc(S(=O)(=O)C(F)(F)F)c2)n1 ZINC000903117941 663774381 /nfs/dbraw/zinc/77/43/81/663774381.db2.gz TVINHSSCRXGAAZ-JTQLQIEISA-N 1 0 377.388 2.955 20 0 GFADRO CC(C)C(=O)NCCC[NH2+][C@@H](C)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000903127705 663775109 /nfs/dbraw/zinc/77/51/09/663775109.db2.gz KGNGLVWLYQDSMX-LBPRGKRZSA-N 1 0 380.432 2.793 20 0 GFADRO Clc1ccc(C[NH2+][C@@H]2CCO[C@@]23CCOC3)c(I)c1 ZINC000903161730 663776454 /nfs/dbraw/zinc/77/64/54/663776454.db2.gz WJQAYRNQTKZLGT-ZIAGYGMSSA-N 1 0 393.652 2.982 20 0 GFADRO Clc1ccc(C[NH2+][C@H]2CCO[C@]23CCOC3)c(I)c1 ZINC000903161727 663776474 /nfs/dbraw/zinc/77/64/74/663776474.db2.gz WJQAYRNQTKZLGT-KBPBESRZSA-N 1 0 393.652 2.982 20 0 GFADRO CCOC(=O)C(F)(F)[C@@H]1CC[C@@H]([NH2+]Cc2cn(C)nc2Br)C1 ZINC000903187816 663777448 /nfs/dbraw/zinc/77/74/48/663777448.db2.gz HVKXWQRAERNGSA-GHMZBOCLSA-N 1 0 380.233 2.639 20 0 GFADRO O=S(=O)(c1ccc(Br)cc1Cl)N1CCC([NH+]2CCC2)CC1 ZINC000903201767 663778252 /nfs/dbraw/zinc/77/82/52/663778252.db2.gz MWNUQCHLSQSUJE-UHFFFAOYSA-N 1 0 393.734 2.961 20 0 GFADRO O=S(=O)(/C=C/c1ccc(Br)cc1)N1CCC([NH+]2CCC2)CC1 ZINC000903203831 663778427 /nfs/dbraw/zinc/77/84/27/663778427.db2.gz XRHOTUBOIQUIDX-MDWZMJQESA-N 1 0 385.327 2.920 20 0 GFADRO O=S(=O)(c1ccc(Br)c(Cl)c1)N1CCC([NH+]2CCC2)CC1 ZINC000903203917 663778431 /nfs/dbraw/zinc/77/84/31/663778431.db2.gz HHVIPWHDZFIAAI-UHFFFAOYSA-N 1 0 393.734 2.961 20 0 GFADRO Cc1nc(S(=O)(=O)N2CCC([NH+]3CCC3)CC2)c(-c2ccccc2)s1 ZINC000903206773 663778476 /nfs/dbraw/zinc/77/84/76/663778476.db2.gz MALMSPKMXLDKEF-UHFFFAOYSA-N 1 0 377.535 2.977 20 0 GFADRO CN1C[C@H](CC[NH2+][C@H](c2cccc(Br)c2)[C@@H]2CCOC2)CC1=O ZINC000903211924 663778601 /nfs/dbraw/zinc/77/86/01/663778601.db2.gz UWJDIVOVXXIQLW-DDUZABMNSA-N 1 0 381.314 2.985 20 0 GFADRO CN1C[C@H](CC[NH2+][C@@H](c2cccc(Br)c2)[C@@H]2CCOC2)CC1=O ZINC000903211926 663778633 /nfs/dbraw/zinc/77/86/33/663778633.db2.gz UWJDIVOVXXIQLW-SIIHOXLZSA-N 1 0 381.314 2.985 20 0 GFADRO C[C@@H]([NH2+]CCS(=O)(=O)N=S(C)(C)=O)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000903227104 663779275 /nfs/dbraw/zinc/77/92/75/663779275.db2.gz QJIPLPVPSGZQRL-OUAUKWLOSA-N 1 0 384.976 2.541 20 0 GFADRO COc1ccc([C@@H](C)[NH2+]CCS(=O)(=O)N=S(C)(C)=O)c2ccccc12 ZINC000903230323 663779679 /nfs/dbraw/zinc/77/96/79/663779679.db2.gz ZQDSAGHBJVTDDI-CYBMUJFWSA-N 1 0 384.523 2.556 20 0 GFADRO CC[C@@H]([NH2+]C[C@@]1(OC)CCS(=O)(=O)C1)c1ccc(OC(F)(F)F)cc1 ZINC000903362963 663782516 /nfs/dbraw/zinc/78/25/16/663782516.db2.gz KQGAGVWEYMXZMQ-CABCVRRESA-N 1 0 381.416 2.830 20 0 GFADRO O=c1ccn(CCC[NH2+][C@H]2CCCOc3c(Br)cccc32)c(=O)[nH]1 ZINC000903432212 663784573 /nfs/dbraw/zinc/78/45/73/663784573.db2.gz JMSZBYXOCGAOOF-AWEZNQCLSA-N 1 0 394.269 2.605 20 0 GFADRO COC(=O)c1csc([C@@H](C)[NH2+][C@H]2CCN(c3cn[nH]c(=O)c3Cl)C2)c1 ZINC000903434547 663784650 /nfs/dbraw/zinc/78/46/50/663784650.db2.gz MQOCMRZMFVNXAX-KOLCDFICSA-N 1 0 382.873 2.613 20 0 GFADRO O=S(=O)(Cc1cccc(Cl)c1Br)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903513642 663786387 /nfs/dbraw/zinc/78/63/87/663786387.db2.gz QQMWREZIPLJCGQ-NEPJUHHUSA-N 1 0 393.734 2.759 20 0 GFADRO C[C@@H](C(=O)Nc1cccc(Br)c1)N1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903518978 663786837 /nfs/dbraw/zinc/78/68/37/663786837.db2.gz TZSNPQMVVBIONC-XXILOJSOSA-N 1 0 380.208 2.598 20 0 GFADRO [NH3+]C[C@H]1CC[C@H](NS(=O)(=O)Cc2cccc(F)c2Br)CC1 ZINC000903525448 663787397 /nfs/dbraw/zinc/78/73/97/663787397.db2.gz JIUDNECRWYBRSG-UMSPYCQHSA-N 1 0 379.295 2.525 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CN1CC[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903534089 663787575 /nfs/dbraw/zinc/78/75/75/663787575.db2.gz KBASSJKXGQJJDH-VXGBXAGGSA-N 1 0 394.235 2.908 20 0 GFADRO [NH3+][C@@H]1CN(S(=O)(=O)/C=C\c2cccc(Br)c2)C[C@H]1C(F)(F)F ZINC000903570726 663789080 /nfs/dbraw/zinc/78/90/80/663789080.db2.gz ZRPIDMUUYXUIJP-XLMCQVRKSA-N 1 0 399.232 2.571 20 0 GFADRO O=S(=O)(N[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1sccc1Cl ZINC000903573698 663789393 /nfs/dbraw/zinc/78/93/93/663789393.db2.gz LDZCHEHZZKBEJH-XJKSGUPXSA-N 1 0 384.910 2.936 20 0 GFADRO Cc1cc(S(=O)(=O)N[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c(C)s1 ZINC000903573517 663789491 /nfs/dbraw/zinc/78/94/91/663789491.db2.gz JRDFRBGZIHLABL-QAPCUYQASA-N 1 0 378.519 2.899 20 0 GFADRO [NH3+][C@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)s2)CC[C@@H]1C(F)(F)F ZINC000903580189 663790323 /nfs/dbraw/zinc/79/03/23/663790323.db2.gz SRWZNRMXJQSALU-BQBZGAKWSA-N 1 0 382.351 2.667 20 0 GFADRO [NH3+]C[C@H]1Cc2cc(F)ccc2N(S(=O)(=O)c2onc(C3CC3)c2Cl)C1 ZINC000903588667 663790811 /nfs/dbraw/zinc/79/08/11/663790811.db2.gz ONIHILLDSXHZBH-SECBINFHSA-N 1 0 385.848 2.671 20 0 GFADRO O=S(=O)(c1ccc(C(F)(F)C(F)(F)F)cc1)N1CCC[C@]12CC[NH2+]C2 ZINC000903592072 663791012 /nfs/dbraw/zinc/79/10/12/663791012.db2.gz KXGNEGVYHJZYLH-CYBMUJFWSA-N 1 0 384.370 2.857 20 0 GFADRO [NH3+]CCc1ccc2c(c1)CCCN2S(=O)(=O)c1occc1Br ZINC000903597289 663791424 /nfs/dbraw/zinc/79/14/24/663791424.db2.gz WWPCYTFEFNDGDD-UHFFFAOYSA-N 1 0 385.283 2.685 20 0 GFADRO Cc1cc(NC(=O)c2cnc(Br)s2)n(C2CC[NH+](C)CC2)n1 ZINC000903788500 663807069 /nfs/dbraw/zinc/80/70/69/663807069.db2.gz MQBXBIVAWZHJTP-UHFFFAOYSA-N 1 0 384.303 2.930 20 0 GFADRO COCC[C@@H]1C[NH2+]CCN1CC(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000903830866 663807684 /nfs/dbraw/zinc/80/76/84/663807684.db2.gz MPIXTOWJDBOGHY-SNVBAGLBSA-N 1 0 380.703 2.896 20 0 GFADRO FC1(F)CC[NH2+]C[C@@H]1CNCc1cc(Br)c2c(c1)OCCO2 ZINC000903954517 663813600 /nfs/dbraw/zinc/81/36/00/663813600.db2.gz DFAHMBIPMBNXDN-LLVKDONJSA-N 1 0 377.229 2.555 20 0 GFADRO COc1cc(Br)c(CN[C@H]2C[NH2+]CC3(CCOCC3)C2)cc1OC ZINC000903974126 663814242 /nfs/dbraw/zinc/81/42/42/663814242.db2.gz MMBKONDRTULIFS-CQSZACIVSA-N 1 0 399.329 2.715 20 0 GFADRO Brc1ccccc1-n1nncc1-c1nc(CC2CC[NH2+]CC2)no1 ZINC000904073737 663822548 /nfs/dbraw/zinc/82/25/48/663822548.db2.gz TYOJVWNGCOCEAH-UHFFFAOYSA-N 1 0 389.257 2.622 20 0 GFADRO [NH3+]CCCn1ccc(-c2nc(Cc3cc(Br)ccc3F)no2)n1 ZINC000904101952 663824219 /nfs/dbraw/zinc/82/42/19/663824219.db2.gz XCSHSYMFDCLNNP-UHFFFAOYSA-N 1 0 380.221 2.774 20 0 GFADRO CCOc1cc(Br)ccc1NC(=O)N1CC[NH2+]C[C@H]1CCOC ZINC000904378412 663831987 /nfs/dbraw/zinc/83/19/87/663831987.db2.gz CHEPPZVEUCQMAZ-CYBMUJFWSA-N 1 0 386.290 2.690 20 0 GFADRO O=C(Nc1ccc(Cl)cc1I)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000904376527 663832075 /nfs/dbraw/zinc/83/20/75/663832075.db2.gz ASIWOSHZYLPRRJ-XXILOJSOSA-N 1 0 391.640 2.959 20 0 GFADRO [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)Nc1cnn(-c3ccccc3Br)c1)C2 ZINC000904393588 663832509 /nfs/dbraw/zinc/83/25/09/663832509.db2.gz YOPGJGAFMQHCIE-SCRDCRAPSA-N 1 0 390.285 2.978 20 0 GFADRO O=C(Nc1cccc(F)c1I)N1CCC[C@]12CC[NH2+]C2 ZINC000904393925 663832512 /nfs/dbraw/zinc/83/25/12/663832512.db2.gz IHAXKLYRPTYHOW-CQSZACIVSA-N 1 0 389.212 2.790 20 0 GFADRO CCOCCOc1ccc(Br)cc1NC(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000904410292 663833101 /nfs/dbraw/zinc/83/31/01/663833101.db2.gz DPCKMDGPLXKWLH-BFHYXJOUSA-N 1 0 398.301 2.879 20 0 GFADRO COCC[C@H]1C[NH2+]CCN1C(=O)Nc1cnc(Cl)c(Br)c1C ZINC000904419348 663833306 /nfs/dbraw/zinc/83/33/06/663833306.db2.gz SWRAGZMXAGROPH-JTQLQIEISA-N 1 0 391.697 2.648 20 0 GFADRO COCC[C@@H]1C[NH2+]CCN1C(=O)Nc1cc(Br)cc2nc(C)oc21 ZINC000904421500 663833396 /nfs/dbraw/zinc/83/33/96/663833396.db2.gz HFKLZXXSRMZRFE-GFCCVEGCSA-N 1 0 397.273 2.741 20 0 GFADRO [NH3+]C[C@H]1C[C@H](NC(=O)Nc2ccnn2Cc2cccc(Br)c2)C1 ZINC000904428262 663833818 /nfs/dbraw/zinc/83/38/18/663833818.db2.gz HVPOZRVDVSYLGQ-MQMHXKEQSA-N 1 0 378.274 2.553 20 0 GFADRO Cc1c(C[C@@H](C[NH3+])CN2CCc3cc(Br)c(F)cc3C2)cnn1C ZINC000904429007 663833940 /nfs/dbraw/zinc/83/39/40/663833940.db2.gz UKVOVRFKOWTURF-ZDUSSCGKSA-N 1 0 395.320 2.806 20 0 GFADRO COCC[C@@H]1C[NH2+]CCN1C(=O)Nc1c(F)cc(F)cc1Br ZINC000904430558 663833958 /nfs/dbraw/zinc/83/39/58/663833958.db2.gz JLVDZRKXUGBWEG-SNVBAGLBSA-N 1 0 378.217 2.570 20 0 GFADRO COC(=O)c1c(Br)ccc(NC(=O)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)c1C ZINC000904445592 663834798 /nfs/dbraw/zinc/83/47/98/663834798.db2.gz XOEGAYOSNHLJJV-ZWKOPEQDSA-N 1 0 382.258 2.559 20 0 GFADRO [NH3+]C[C@]12CC[C@@H]1CCN2C(=O)Nc1ccc2nccnc2c1Br ZINC000904474340 663835772 /nfs/dbraw/zinc/83/57/72/663835772.db2.gz YIGSXGSXMJNZDM-QLJPJBMISA-N 1 0 376.258 2.737 20 0 GFADRO COCCOc1ccc(NC(=O)N2CC[C@]3(CC[NH2+]C3)C2)cc1Br ZINC000904551463 663837927 /nfs/dbraw/zinc/83/79/27/663837927.db2.gz LUKUDVPLVVKIJO-KRWDZBQOSA-N 1 0 398.301 2.692 20 0 GFADRO C[NH2+]C[C@@H]1CCCN1C(=O)Nc1ccc(OCCOC)c(Br)c1 ZINC000904550950 663837931 /nfs/dbraw/zinc/83/79/31/663837931.db2.gz IEQNEVKQULJQHA-ZDUSSCGKSA-N 1 0 386.290 2.690 20 0 GFADRO [NH3+]Cc1ccccc1NC(=O)NC[C@@H](CO)Cc1ccc(Br)cc1 ZINC000904641376 663839233 /nfs/dbraw/zinc/83/92/33/663839233.db2.gz ULINQJGBGLYSTB-AWEZNQCLSA-N 1 0 392.297 2.881 20 0 GFADRO C[C@@H]([NH3+])C1(c2nc(-c3cccc(I)c3)no2)CCOCC1 ZINC000904664958 663839513 /nfs/dbraw/zinc/83/95/13/663839513.db2.gz IUCPBWAXNLDQAJ-SNVBAGLBSA-N 1 0 399.232 2.737 20 0 GFADRO Brc1cc(Cc2noc([C@@H]3C[C@@H]4CC[C@H]3[NH2+]4)n2)cc2c1OCCO2 ZINC000904666684 663839713 /nfs/dbraw/zinc/83/97/13/663839713.db2.gz RUMZKQWGOXCWKC-DMDPSCGWSA-N 1 0 392.253 2.802 20 0 GFADRO N[C@H](c1nc([C@@H]2CCCOC2)no1)c1ccccc1I ZINC000904695321 663841167 /nfs/dbraw/zinc/84/11/67/663841167.db2.gz NOZIMZGBTWUADR-SKDRFNHKSA-N 1 0 385.205 2.616 20 0 GFADRO CCOc1ccccc1[C@@H]([NH3+])Cc1nc(-c2cnn(C)c2Br)no1 ZINC000904696603 663841633 /nfs/dbraw/zinc/84/16/33/663841633.db2.gz WBOWISAZYSWZAR-LBPRGKRZSA-N 1 0 392.257 2.874 20 0 GFADRO Cc1csc([C@](O)(CC(=O)N[C@H](C[NH3+])C2CCCCC2)C(F)(F)F)n1 ZINC000904926839 663847910 /nfs/dbraw/zinc/84/79/10/663847910.db2.gz XQGJQLUNJQOXLD-IUODEOHRSA-N 1 0 379.448 2.615 20 0 GFADRO O[C@H](C[NH2+]CCc1ccc(I)s1)CC1(O)CCCC1 ZINC000905082387 663851799 /nfs/dbraw/zinc/85/17/99/663851799.db2.gz MYJIPPCOJKQFMX-NSHDSACASA-N 1 0 395.306 2.541 20 0 GFADRO O[C@@H](C[NH2+]CCc1ccc(I)s1)CC1(O)CCCC1 ZINC000905082379 663851852 /nfs/dbraw/zinc/85/18/52/663851852.db2.gz MYJIPPCOJKQFMX-LLVKDONJSA-N 1 0 395.306 2.541 20 0 GFADRO O[C@H](C[NH2+]CCOc1c(Cl)cc(Cl)cc1Cl)C1(O)CCOCC1 ZINC000905154800 663855561 /nfs/dbraw/zinc/85/55/61/663855561.db2.gz QIHQTFIBCLABMK-CYBMUJFWSA-N 1 0 384.687 2.518 20 0 GFADRO O[C@H](C[NH2+][C@@H]1CCN(c2cccc(Br)c2)C1)CC1(O)CCCC1 ZINC000905236899 663861322 /nfs/dbraw/zinc/86/13/22/663861322.db2.gz GGJZZRNILAZNEM-WBVHZDCISA-N 1 0 383.330 2.674 20 0 GFADRO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+]C[C@H](O)CC2(CO)CCCC2)c1 ZINC000905286874 663863879 /nfs/dbraw/zinc/86/38/79/663863879.db2.gz SNEMFQAZPHGIAN-MRXNPFEDSA-N 1 0 389.945 2.527 20 0 GFADRO CC(C)(C)OC(=O)NC[C@H](O)C[NH2+]C[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC000905349239 663867049 /nfs/dbraw/zinc/86/70/49/663867049.db2.gz HLBLDRHIIYSQSP-BXUZGUMPSA-N 1 0 379.284 2.502 20 0 GFADRO O[C@H](C[C@H](O)C[NH2+]C[C@@H](O)c1cccc(Br)c1)c1ccccc1 ZINC000905369867 663867903 /nfs/dbraw/zinc/86/79/03/663867903.db2.gz DBHLIHPCYVOVAD-RCCFBDPRSA-N 1 0 380.282 2.557 20 0 GFADRO O[C@@H](C[NH2+]C[C@@H]1CCC2(CCOCC2)[C@@H]1O)c1ccc(Br)cc1 ZINC000905369881 663867940 /nfs/dbraw/zinc/86/79/40/663867940.db2.gz DGPQKDBKRVYUAH-BHYGNILZSA-N 1 0 384.314 2.640 20 0 GFADRO CC(C)(C)OC(=O)N1CCC(F)(F)[C@@H](C[NH2+]C[C@@H](O)CC(F)(F)F)C1 ZINC000905489624 663873883 /nfs/dbraw/zinc/87/38/83/663873883.db2.gz CGEGBKXQGAOGOP-QWRGUYRKSA-N 1 0 376.366 2.782 20 0 GFADRO Cc1ccc(Cl)c(OC[C@@H](O)C[NH2+]CC2CCC(S(C)(=O)=O)CC2)c1 ZINC000905508893 663874726 /nfs/dbraw/zinc/87/47/26/663874726.db2.gz MFHISZFIRQOIDW-PCKAHOCUSA-N 1 0 389.945 2.581 20 0 GFADRO O[C@@H](C[NH2+]CC1(C2(O)CCOCC2)CC1)COc1cc(Cl)ccc1Cl ZINC000905554269 663878082 /nfs/dbraw/zinc/87/80/82/663878082.db2.gz WEPQPQQGBYGOQA-AWEZNQCLSA-N 1 0 390.307 2.644 20 0 GFADRO CC(C)O[C@]1(C[NH2+]C[C@H](O)c2ccc(F)c(Br)c2)CCOC1 ZINC000905555135 663878264 /nfs/dbraw/zinc/87/82/64/663878264.db2.gz FIWUYYPXTIEYCJ-HOTGVXAUSA-N 1 0 376.266 2.795 20 0 GFADRO Cn1nc(C(F)(F)F)cc1C[NH2+]C[C@@H](O)COCc1ccccc1Cl ZINC000905569421 663878896 /nfs/dbraw/zinc/87/88/96/663878896.db2.gz SOOBDFAJLXBJNC-CYBMUJFWSA-N 1 0 377.794 2.760 20 0 GFADRO COC(=O)[C@H]1C[C@@H]2C[C@H]([NH2+]C[C@H](O)COc3cc(Cl)ccc3Cl)[C@@H]2C1 ZINC000905655411 663883990 /nfs/dbraw/zinc/88/39/90/663883990.db2.gz WNOCOAZEMQGAGJ-GTJDQOHESA-N 1 0 388.291 2.910 20 0 GFADRO Cc1ncccc1CC[NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000905701286 663887602 /nfs/dbraw/zinc/88/76/02/663887602.db2.gz ZUTMJRUOPWLIBN-MRXNPFEDSA-N 1 0 383.261 2.864 20 0 GFADRO [NH3+]C1CCN(Cc2cn(Cc3ccc(Cl)c(Br)c3)nn2)CC1 ZINC000905808177 663893282 /nfs/dbraw/zinc/89/32/82/663893282.db2.gz UPHMSGLAVFHXMZ-UHFFFAOYSA-N 1 0 384.709 2.665 20 0 GFADRO COC(=O)c1nc(C(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)cs1 ZINC000906463360 663950428 /nfs/dbraw/zinc/95/04/28/663950428.db2.gz VPHIKTBVHHHBKW-LBPRGKRZSA-N 1 0 379.507 2.633 20 0 GFADRO Cc1cc(C(=O)N2CCC[C@@H](C[NH3+])C2)nn1-c1ccccc1Br ZINC000906627850 663961719 /nfs/dbraw/zinc/96/17/19/663961719.db2.gz PHSVWLISMRYVKO-ZDUSSCGKSA-N 1 0 377.286 2.754 20 0 GFADRO C[NH+]1CCC(N(Cc2ccco2)C(=O)C[C@@H](O)C(Cl)(Cl)Cl)CC1 ZINC000906672930 663964413 /nfs/dbraw/zinc/96/44/13/663964413.db2.gz HKRLTBUBMWVTAJ-CYBMUJFWSA-N 1 0 383.703 2.824 20 0 GFADRO [NH3+]C1(CNC(=O)C(=O)Nc2ccccc2SC[C@H]2CC2(Cl)Cl)CC1 ZINC000906697699 663965937 /nfs/dbraw/zinc/96/59/37/663965937.db2.gz QCGNEGVIVSHUSW-SNVBAGLBSA-N 1 0 388.320 2.519 20 0 GFADRO O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)N1CCC[C@]12CC[NH2+]C2 ZINC000906755328 663968715 /nfs/dbraw/zinc/96/87/15/663968715.db2.gz BFBFTIOTUAWBFG-OAHLLOKOSA-N 1 0 375.778 2.652 20 0 GFADRO O=C(Nc1cc(Cl)ccc1C(F)(F)F)C(=O)N1CCC[C@@]12CC[NH2+]C2 ZINC000906772841 663969547 /nfs/dbraw/zinc/96/95/47/663969547.db2.gz SVXLCRHMRCQARF-HNNXBMFYSA-N 1 0 375.778 2.652 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2nscc2I)C[C@@H]1C ZINC000906776588 663970131 /nfs/dbraw/zinc/97/01/31/663970131.db2.gz CVEFRTBCZMNIHX-VHSXEESVSA-N 1 0 393.294 2.693 20 0 GFADRO C[C@@H](NC(=O)c1cc(Br)cn(C2CC2)c1=O)C(C)(C)C[NH+](C)C ZINC000906794121 663971611 /nfs/dbraw/zinc/97/16/11/663971611.db2.gz XREQEELUFQAOTM-LLVKDONJSA-N 1 0 384.318 2.652 20 0 GFADRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)C(F)(F)c2ncccc2Br)C1 ZINC000906912609 663981430 /nfs/dbraw/zinc/98/14/30/663981430.db2.gz DRYMTTTZVXNMKX-MNOVXSKESA-N 1 0 376.245 2.925 20 0 GFADRO COc1cccc(S(=O)(=O)N(CC[NH+](C)C)Cc2cccs2)c1OC ZINC000907030702 663994642 /nfs/dbraw/zinc/99/46/42/663994642.db2.gz XGPDPGSTUVTZHS-UHFFFAOYSA-N 1 0 384.523 2.518 20 0 GFADRO CS[C@@H]1CN(C(=O)c2ccc(Cn3cc(Cl)cn3)s2)C[C@H]1[NH+](C)C ZINC000907147038 664006716 /nfs/dbraw/zinc/00/67/16/664006716.db2.gz RMSSUSYMCQVFNY-UKRRQHHQSA-N 1 0 384.958 2.764 20 0 GFADRO CC(C)(C)c1ccc(S(=O)(=O)NC2CC[NH+](C3CCOCC3)CC2)s1 ZINC000907328111 664023887 /nfs/dbraw/zinc/02/38/87/664023887.db2.gz LAQVUTDDZDZONJ-UHFFFAOYSA-N 1 0 386.583 2.967 20 0 GFADRO Cc1cc(C)c(CC(=O)N2CC[C@H]([N@@H+]3CC[C@@H](O)C3)C2)c(C)c1Br ZINC000908198998 664091279 /nfs/dbraw/zinc/09/12/79/664091279.db2.gz BILIBQKBEKLNLD-JKSUJKDBSA-N 1 0 395.341 2.584 20 0 GFADRO C[C@H]1[C@@H](NC(=O)Cc2c(Br)cnn2C)CC[N@@H+]1Cc1ccccc1 ZINC000908229563 664093160 /nfs/dbraw/zinc/09/31/60/664093160.db2.gz IMJGOTIBOHXACL-BBRMVZONSA-N 1 0 391.313 2.504 20 0 GFADRO CC(C)[NH+]1CCN(CCC(=O)N(C)CCc2cccc(Br)c2)CC1 ZINC000908326874 664099319 /nfs/dbraw/zinc/09/93/19/664099319.db2.gz FUQJBLYNYSSBIP-UHFFFAOYSA-N 1 0 396.373 2.866 20 0 GFADRO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)c1ccc(Cn2cc(Br)cn2)s1 ZINC000908416952 664104905 /nfs/dbraw/zinc/10/49/05/664104905.db2.gz UTVFWFVMZYEQTD-BXUZGUMPSA-N 1 0 397.342 2.920 20 0 GFADRO Cc1csc([C@H](NC(=O)CCN2CC[NH+](C(C)C)CC2)C(F)(F)F)n1 ZINC000908515290 664111618 /nfs/dbraw/zinc/11/16/18/664111618.db2.gz XGDJJGNPIFJJNA-AWEZNQCLSA-N 1 0 378.464 2.587 20 0 GFADRO C[NH+](C)CCn1nccc1C(=O)N1CC[C@H](c2cccc(Br)c2)C1 ZINC000908976506 664139480 /nfs/dbraw/zinc/13/94/80/664139480.db2.gz YYTYMYXGIOORDY-HNNXBMFYSA-N 1 0 391.313 2.837 20 0 GFADRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)c2cc(Br)cn(C3CC3)c2=O)C1 ZINC000909437535 664158555 /nfs/dbraw/zinc/15/85/55/664158555.db2.gz AJUBSYOTTFSTSK-AWEZNQCLSA-N 1 0 382.302 2.500 20 0 GFADRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C(F)(F)c2ncccc2Br)C1 ZINC000909436090 664158691 /nfs/dbraw/zinc/15/86/91/664158691.db2.gz DQJCHVQBFJVYGK-LLVKDONJSA-N 1 0 376.245 2.877 20 0 GFADRO C[N@H+](CCCCNC(=O)C(F)(F)c1ncccc1Br)C1CC1 ZINC000909556424 664162807 /nfs/dbraw/zinc/16/28/07/664162807.db2.gz QWIKYQBSFKJIMA-UHFFFAOYSA-N 1 0 376.245 2.927 20 0 GFADRO Cc1cc(C[NH+](C)C)ccc1NC(=O)Cn1ccc(Br)cc1=O ZINC000909592553 664164465 /nfs/dbraw/zinc/16/44/65/664164465.db2.gz PRWIZXQIDDRUSL-UHFFFAOYSA-N 1 0 378.270 2.620 20 0 GFADRO C[NH+](C)CCn1ncc(C(=O)NCC2(Br)CC2)c1-c1ccccc1 ZINC000910214354 664200358 /nfs/dbraw/zinc/20/03/58/664200358.db2.gz YLSUBWOUDPVZPX-UHFFFAOYSA-N 1 0 391.313 2.769 20 0 GFADRO CCS(=O)(=O)c1cc(Cl)cc(CNC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)c1 ZINC000910408673 664209938 /nfs/dbraw/zinc/20/99/38/664209938.db2.gz TXSCEPCRLLUDOV-DOTOQJQBSA-N 1 0 384.929 2.767 20 0 GFADRO C[C@H](C(=O)N1CCc2[nH]cnc2[C@@H]1c1ccc(Br)cc1)[NH+](C)C ZINC000911250517 664240097 /nfs/dbraw/zinc/24/00/97/664240097.db2.gz QEYSXRWZFUHUMI-BZNIZROVSA-N 1 0 377.286 2.596 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)c1cc2ccc(Br)cc2c(=O)o1 ZINC000911685364 664252841 /nfs/dbraw/zinc/25/28/41/664252841.db2.gz SVKOQMMERXHJFY-QMTHXVAHSA-N 1 0 379.254 2.897 20 0 GFADRO C[C@H]([NH3+])C1CCN(C(=O)c2cc(Br)c(Br)[nH]2)CC1 ZINC000911755069 664255493 /nfs/dbraw/zinc/25/54/93/664255493.db2.gz YSTHPOHEWMIQOV-ZETCQYMHSA-N 1 0 379.096 2.739 20 0 GFADRO C[NH+](C)CCN1CCC(Nc2ccc(-c3nnc(Br)o3)cc2)CC1 ZINC000911695844 664253387 /nfs/dbraw/zinc/25/33/87/664253387.db2.gz QTNRSDPIXASBRD-UHFFFAOYSA-N 1 0 394.317 2.937 20 0 GFADRO Brc1nnc(-c2ccc(NC[C@@H]3C[N@@H+]4CCC[C@H]4CO3)cc2)o1 ZINC000911801887 664256618 /nfs/dbraw/zinc/25/66/18/664256618.db2.gz GSFSRJXBARVFSB-UONOGXRCSA-N 1 0 379.258 2.774 20 0 GFADRO O=C(c1cc2ccc(Br)cc2c(=O)o1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000911857624 664259265 /nfs/dbraw/zinc/25/92/65/664259265.db2.gz ZWAKMMTXFVBLLS-OLZOCXBDSA-N 1 0 377.238 2.522 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CN(C(=O)c2cc(Br)c(C(F)(F)F)cc2F)CCO1 ZINC000911885040 664260743 /nfs/dbraw/zinc/26/07/43/664260743.db2.gz SVVGEWJAGQRVTQ-KRTXAFLBSA-N 1 0 399.182 2.795 20 0 GFADRO C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N(CCO)C1CC[NH+](C)CC1 ZINC000911933514 664262419 /nfs/dbraw/zinc/26/24/19/664262419.db2.gz KGTFNRMGNOLJOU-LBPRGKRZSA-N 1 0 375.296 2.676 20 0 GFADRO C[C@H](C(=O)N(CCO)C1CC[NH+](C)CC1)c1ccc(Br)s1 ZINC000911939256 664262873 /nfs/dbraw/zinc/26/28/73/664262873.db2.gz SLVQQYCAERMYDJ-NSHDSACASA-N 1 0 375.332 2.529 20 0 GFADRO Cc1nc(SC(F)(F)F)sc1CC(=O)N(CCO)C1CC[NH+](C)CC1 ZINC000911944505 664263279 /nfs/dbraw/zinc/26/32/79/664263279.db2.gz ZNKBVDRKKWVOJU-UHFFFAOYSA-N 1 0 397.488 2.521 20 0 GFADRO Cc1cc(NC(=O)C[C@@H](O)C[NH3+])n(-c2cc(C(F)(F)F)ccc2Cl)n1 ZINC000911991060 664265024 /nfs/dbraw/zinc/26/50/24/664265024.db2.gz BPWNIGIHRUZWQE-SNVBAGLBSA-N 1 0 376.766 2.501 20 0 GFADRO CN(Cc1ccc(Br)cc1)C(=O)[C@@H]1CC[NH2+][C@H]([C@H]2CCCO2)C1 ZINC000912013597 664266097 /nfs/dbraw/zinc/26/60/97/664266097.db2.gz VRTNKDRZCZEDTC-HYVNUMGLSA-N 1 0 381.314 2.955 20 0 GFADRO Cc1cccc(N2CC[NH+](CCC(=O)Nc3c[nH]nc3Br)CC2)c1 ZINC000912191103 664275211 /nfs/dbraw/zinc/27/52/11/664275211.db2.gz OCKMKWQQPFGLTG-UHFFFAOYSA-N 1 0 392.301 2.631 20 0 GFADRO C[C@@H]1[C@@H](c2ccc(Br)cc2)OCCN1C(=O)C12CC[NH+](CC1)C2 ZINC000912410048 664285665 /nfs/dbraw/zinc/28/56/65/664285665.db2.gz XYPRKCHJBUYWCI-CJNGLKHVSA-N 1 0 379.298 2.833 20 0 GFADRO C[NH+](C)CCn1ccc(C(=O)Nc2cccc(-c3nnsc3Cl)c2)n1 ZINC000912485196 664289945 /nfs/dbraw/zinc/28/99/45/664289945.db2.gz QUQAUOBBJCUWTI-UHFFFAOYSA-N 1 0 376.873 2.869 20 0 GFADRO CC(C)C[NH2+]C1(CO)CCN(C(=O)c2cc(F)ccc2Br)CC1 ZINC000912594333 664294431 /nfs/dbraw/zinc/29/44/31/664294431.db2.gz DAJNBCAXXNNBTR-UHFFFAOYSA-N 1 0 387.293 2.801 20 0 GFADRO C[C@H]1CCC[C@@H](CC[NH+](C)C)N1C(=O)c1c(Br)nc2n1CCOC2 ZINC000912649183 664295957 /nfs/dbraw/zinc/29/59/57/664295957.db2.gz PUWYMCBYGKOFPX-STQMWFEESA-N 1 0 399.333 2.511 20 0 GFADRO Cc1ccc(-n2nc(Br)cc2C(=O)N2CC[C@H]([NH+]3CCC3)C2)cc1 ZINC000912914852 664309756 /nfs/dbraw/zinc/30/97/56/664309756.db2.gz GKCOYOPHOSKOSV-HNNXBMFYSA-N 1 0 389.297 2.863 20 0 GFADRO O=C(c1ncc(Br)cc1Br)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000912910715 664309827 /nfs/dbraw/zinc/30/98/27/664309827.db2.gz QLVZPELWKFPMIG-SNVBAGLBSA-N 1 0 389.091 2.527 20 0 GFADRO O=C(c1cc(=O)[nH]c2c(Br)cccc12)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000912916520 664309837 /nfs/dbraw/zinc/30/98/37/664309837.db2.gz YIXCKPSFHZDNHC-LLVKDONJSA-N 1 0 376.254 2.623 20 0 GFADRO Cc1c(C(=O)N2CC[C@@H]([NH+]3CCC3)C2)cnn1-c1cccc(Br)c1 ZINC000912918000 664310203 /nfs/dbraw/zinc/31/02/03/664310203.db2.gz SATBGKKZPMPRMI-MRXNPFEDSA-N 1 0 389.297 2.863 20 0 GFADRO COc1nsc(CNC(=O)[C@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)c1Br ZINC000912946993 664313428 /nfs/dbraw/zinc/31/34/28/664313428.db2.gz VUFAQOQLVDYVGH-AEJSXWLSSA-N 1 0 376.320 2.792 20 0 GFADRO COc1cc(C(=O)N2C[C@]3(C)C[N@H+](C)C[C@]3(C)C2)cc(Br)c1OC ZINC000913279595 664331013 /nfs/dbraw/zinc/33/10/13/664331013.db2.gz UEJPWIUSZQJEKH-HDICACEKSA-N 1 0 397.313 2.880 20 0 GFADRO C[NH+](C)CCn1nccc1C(=O)N1CCc2cc(F)cc(Br)c2C1 ZINC000913347079 664333127 /nfs/dbraw/zinc/33/31/27/664333127.db2.gz XBUMJZAOPHVFJZ-UHFFFAOYSA-N 1 0 395.276 2.545 20 0 GFADRO C[NH+](C)C1(C)CCN(C(=O)COCCc2ccc(Br)cc2)CC1 ZINC000913387191 664334438 /nfs/dbraw/zinc/33/44/38/664334438.db2.gz PEGVWDCODUKRGI-UHFFFAOYSA-N 1 0 383.330 2.951 20 0 GFADRO C[NH+](C)C1(C)CCN(C(=O)C2(c3cccc(Br)c3)CC(=O)C2)CC1 ZINC000913392699 664334653 /nfs/dbraw/zinc/33/46/53/664334653.db2.gz JLDDHQRAMKOKPZ-UHFFFAOYSA-N 1 0 393.325 2.993 20 0 GFADRO C[NH+](C)C1(C)CCN(C(=O)COc2ccc(C=O)cc2Br)CC1 ZINC000913397153 664334975 /nfs/dbraw/zinc/33/49/75/664334975.db2.gz WSBZIJMIGYOJJS-UHFFFAOYSA-N 1 0 383.286 2.583 20 0 GFADRO O=C(NC12CC[NH+](CC1)C2)c1cnc2c(Cl)cc(Br)cc2c1O ZINC000913633765 664347196 /nfs/dbraw/zinc/34/71/96/664347196.db2.gz NEIHINDJDLCZQZ-UHFFFAOYSA-N 1 0 396.672 2.522 20 0 GFADRO O=C(NC12CC[NH+](CC1)C2)c1c(Cl)ccc(I)c1F ZINC000913636689 664347314 /nfs/dbraw/zinc/34/73/14/664347314.db2.gz PWNXJGHNEXBCON-UHFFFAOYSA-N 1 0 394.615 2.662 20 0 GFADRO C[NH+](C)CC1(O)CCN(C(=O)Cc2cc(Cl)ccc2Br)CC1 ZINC000913678895 664349291 /nfs/dbraw/zinc/34/92/91/664349291.db2.gz CFLJPWADXWFNKR-UHFFFAOYSA-N 1 0 389.721 2.560 20 0 GFADRO C[C@H](Cc1ccc(Br)cc1)C(=O)N1CCC(O)(C[NH+](C)C)CC1 ZINC000913678543 664349336 /nfs/dbraw/zinc/34/93/36/664349336.db2.gz NEBNUEQEYLRKTC-CQSZACIVSA-N 1 0 383.330 2.543 20 0 GFADRO O=C(c1c[nH]c(=O)c(Br)c1)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccccc1 ZINC000913685419 664350022 /nfs/dbraw/zinc/35/00/22/664350022.db2.gz PRLIJAQIBKHESK-GJZGRUSLSA-N 1 0 388.265 2.649 20 0 GFADRO C[N@@H+]1CCN(C(=O)c2cc(Br)cn(C3CC3)c2=O)CCC1(C)C ZINC000913722034 664353456 /nfs/dbraw/zinc/35/34/56/664353456.db2.gz GXQCNHRBOOKXCY-UHFFFAOYSA-N 1 0 382.302 2.502 20 0 GFADRO C[NH+](C)C1(CNC(=O)NCc2cnc(Br)cn2)CCCCCC1 ZINC000913914291 664365329 /nfs/dbraw/zinc/36/53/29/664365329.db2.gz KQVURQZXFRMMMI-UHFFFAOYSA-N 1 0 384.322 2.693 20 0 GFADRO CCN(CC)[C@@H](CNC(=O)NCC(C)(C)CS(C)(=O)=O)c1ccsc1 ZINC000914065681 664374079 /nfs/dbraw/zinc/37/40/79/664374079.db2.gz CCXYWWVGOGGXDI-HNNXBMFYSA-N 1 0 389.587 2.501 20 0 GFADRO CC1CC[NH+](CCNC(=O)N2CCC[C@@H]2c2ncc(Br)cn2)CC1 ZINC000914075415 664374638 /nfs/dbraw/zinc/37/46/38/664374638.db2.gz WZONOMGAFZQSII-OAHLLOKOSA-N 1 0 396.333 2.818 20 0 GFADRO C[NH+]1CCC2(CCCN2S(=O)(=O)Cc2ccsc2Br)CC1 ZINC000914316732 664398456 /nfs/dbraw/zinc/39/84/56/664398456.db2.gz BJTAJPZLHBPWLY-UHFFFAOYSA-N 1 0 393.372 2.901 20 0 GFADRO CC[NH+](CC)C[C@@H](C)NC(=O)N1CCC[C@@H]1c1ncc(Br)cn1 ZINC000914411540 664407996 /nfs/dbraw/zinc/40/79/96/664407996.db2.gz JZXZGDKGLXRHOV-TZMCWYRMSA-N 1 0 384.322 2.816 20 0 GFADRO O=C(NCCC[NH+]1CCCCC1)c1cn(-c2ccccc2Br)nn1 ZINC000914719975 664414597 /nfs/dbraw/zinc/41/45/97/664414597.db2.gz UQTIYRRRMLCHNX-UHFFFAOYSA-N 1 0 392.301 2.636 20 0 GFADRO Cc1ncsc1C[N@H+](C)C[C@H]1CCN(S(=O)(=O)CCCC(C)(F)F)C1 ZINC000915052813 664419821 /nfs/dbraw/zinc/41/98/21/664419821.db2.gz BOTFAOSAGNNKJL-CQSZACIVSA-N 1 0 395.541 2.970 20 0 GFADRO CC(C)[N@H+](CC1CC1)CN1C(=O)C(=O)N(c2ccc(Br)cc2)C1=O ZINC000915209096 664423624 /nfs/dbraw/zinc/42/36/24/664423624.db2.gz TUQNIHBRMAMQQQ-UHFFFAOYSA-N 1 0 394.269 2.822 20 0 GFADRO CCOc1cc(C[NH2+]CC(=O)NCc2ccccc2)cc(Br)c1O ZINC000915228773 664424518 /nfs/dbraw/zinc/42/45/18/664424518.db2.gz BXBMLPCPARWWBV-UHFFFAOYSA-N 1 0 393.281 2.959 20 0 GFADRO C[C@H]1CN(C(=O)Cc2cccnc2Br)CCN1c1cc[nH+]cc1 ZINC000915266439 664425843 /nfs/dbraw/zinc/42/58/43/664425843.db2.gz GLPAXRXUELWGDV-ZDUSSCGKSA-N 1 0 375.270 2.519 20 0 GFADRO Cc1nc(-c2ccc(S(=O)(=O)N3C[C@H]4CC[N@@H+](C)C[C@H]4C3)s2)cs1 ZINC000916663409 664468643 /nfs/dbraw/zinc/46/86/43/664468643.db2.gz FENBVNOMWYAHNP-OLZOCXBDSA-N 1 0 383.564 2.752 20 0 GFADRO C[NH+](C)C1(CNC(=O)c2cn(-c3ccccc3Br)nn2)CCCC1 ZINC000917129229 664476898 /nfs/dbraw/zinc/47/68/98/664476898.db2.gz ZYZZEXWHFQUFJL-UHFFFAOYSA-N 1 0 392.301 2.634 20 0 GFADRO CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NS(=O)(=O)c3c(C)csc3C)C2)[C@H]1C(C)C ZINC000920308929 664524998 /nfs/dbraw/zinc/52/49/98/664524998.db2.gz GFWJETUEMJHNKD-JOCBIADPSA-N 1 0 386.583 2.513 20 0 GFADRO C[N@H+](CCNC(=O)CN1C(=S)N=NC1c1cccs1)C1CCCCC1 ZINC000921028117 664535818 /nfs/dbraw/zinc/53/58/18/664535818.db2.gz UBHKCZUILFGWJX-UHFFFAOYSA-N 1 0 379.555 2.676 20 0 GFADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)NC1(c2ncc(Br)cn2)CCC1 ZINC000921439368 664548642 /nfs/dbraw/zinc/54/86/42/664548642.db2.gz ZBAUKSYOEIPSDM-AWEZNQCLSA-N 1 0 396.333 2.792 20 0 GFADRO CCCS(=O)(=O)N1CCC([NH2+]Cc2nc(C)c(Br)s2)CC1 ZINC000921526913 664552245 /nfs/dbraw/zinc/55/22/45/664552245.db2.gz HXVOCGBJMKDBAI-UHFFFAOYSA-N 1 0 396.376 2.508 20 0 GFADRO Cc1nnc2n1C[C@H]([NH2+]Cc1cc(C)c(I)cc1C)CC2 ZINC000921634407 664558554 /nfs/dbraw/zinc/55/85/54/664558554.db2.gz UFWJHIPKTYZKEF-CQSZACIVSA-N 1 0 396.276 2.913 20 0 GFADRO C[C@@H](C[NH2+]Cc1c2c(nn1C)CCOC2)Oc1cccc(Br)c1 ZINC000921796445 664569173 /nfs/dbraw/zinc/56/91/73/664569173.db2.gz JFWLRWDJGLFTJE-LBPRGKRZSA-N 1 0 380.286 2.812 20 0 GFADRO O[C@@H](C[NH2+]Cc1cnn(C2CCC2)c1)COc1ccccc1Br ZINC000921856521 664573074 /nfs/dbraw/zinc/57/30/74/664573074.db2.gz MKHNXNYTMCKJMD-HNNXBMFYSA-N 1 0 380.286 2.900 20 0 GFADRO O=C(NC[C@@H]1CC[N@@H+]1C1CCOCC1)OCc1ccc(Br)cc1 ZINC000921911197 664575914 /nfs/dbraw/zinc/57/59/14/664575914.db2.gz IPNMNMUPFHUUKQ-INIZCTEOSA-N 1 0 383.286 2.929 20 0 GFADRO CCOCCOC[C@H](O)C[NH2+]Cc1cc2c(cc(F)cc2Br)[nH]1 ZINC000922050629 664582987 /nfs/dbraw/zinc/58/29/87/664582987.db2.gz ADUJJRBMDHIIOI-CYBMUJFWSA-N 1 0 389.265 2.573 20 0 GFADRO Cc1cc(C[NH2+]C[C@@H](CO)[C@H]2CCOC2)c(C)cc1I ZINC000922088256 664585214 /nfs/dbraw/zinc/58/52/14/664585214.db2.gz ZXWQCIFWPJSUAQ-ZFWWWQNUSA-N 1 0 389.277 2.643 20 0 GFADRO CCn1c(C[NH2+]C[C@H](CO)C(C)C)nc(Br)c1Br ZINC000922130361 664587095 /nfs/dbraw/zinc/58/70/95/664587095.db2.gz YNMPWUBBRDOCLG-SECBINFHSA-N 1 0 383.128 2.782 20 0 GFADRO CCn1c(C[NH2+]C[C@@H](OC)C2CC2)nc(Br)c1Br ZINC000922146658 664587813 /nfs/dbraw/zinc/58/78/13/664587813.db2.gz AAHXRQOOSMCRHB-SECBINFHSA-N 1 0 381.112 2.943 20 0 GFADRO CCn1c(C[NH2+][C@@H](CO)C2CCC2)nc(Br)c1Br ZINC000922237946 664591173 /nfs/dbraw/zinc/59/11/73/664591173.db2.gz PDPWQAKXHNLXQI-VIFPVBQESA-N 1 0 381.112 2.679 20 0 GFADRO CCn1c(C[NH2+][C@@H](C)C2(CO)CC2)nc(Br)c1Br ZINC000922245684 664591526 /nfs/dbraw/zinc/59/15/26/664591526.db2.gz TYLFFQUSSQPLGZ-QMMMGPOBSA-N 1 0 381.112 2.679 20 0 GFADRO Cn1nccc1[C@@H]1[C@@H]([NH2+]Cc2cccc(Br)c2F)CCC(=O)N1C ZINC000922405289 664599906 /nfs/dbraw/zinc/59/99/06/664599906.db2.gz IESYLYCBSVLYRT-GUYCJALGSA-N 1 0 395.276 2.773 20 0 GFADRO Cc1cccc(C[NH2+][C@H]2CCC(=O)N(C)[C@@H]2c2ccnn2C)c1Br ZINC000922406100 664600111 /nfs/dbraw/zinc/60/01/11/664600111.db2.gz NJPCYYGEGNILRQ-KSSFIOAISA-N 1 0 391.313 2.943 20 0 GFADRO CS(=O)(=O)C1CCC(C[NH2+]Cc2ccc(Cl)cc2-n2cncn2)CC1 ZINC000922416799 664600698 /nfs/dbraw/zinc/60/06/98/664600698.db2.gz AEDOYPQJCYOOAV-UHFFFAOYSA-N 1 0 382.917 2.614 20 0 GFADRO Cn1cc(C[NH2+]C[C@@H](CC(F)F)NC(=O)OC(C)(C)C)c(Br)n1 ZINC000922465909 664602830 /nfs/dbraw/zinc/60/28/30/664602830.db2.gz IDNSQZUKGRHPSS-SNVBAGLBSA-N 1 0 397.264 2.821 20 0 GFADRO CCS(=O)(=O)c1ccccc1CC[NH2+]Cc1cncc(Br)c1 ZINC000922686327 664610767 /nfs/dbraw/zinc/61/07/67/664610767.db2.gz IAGLOBIINSYNHH-UHFFFAOYSA-N 1 0 383.311 2.970 20 0 GFADRO Cc1cc(CC[NH2+]Cc2ccc(Br)cc2N2CCOCC2)nn1C ZINC000922690379 664610827 /nfs/dbraw/zinc/61/08/27/664610827.db2.gz JYEWQPSSXJUAOL-UHFFFAOYSA-N 1 0 393.329 2.660 20 0 GFADRO Cc1nn(-c2cccc(Br)c2)cc1C[NH2+]C[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000922725688 664612181 /nfs/dbraw/zinc/61/21/81/664612181.db2.gz LQDXFPXRRAARIP-BVGQSLNGSA-N 1 0 392.297 2.837 20 0 GFADRO Cc1nn(C)c(OCC(F)(F)F)c1C[NH2+]CC[C@H](N(C)C)C(F)(F)F ZINC000922752528 664613352 /nfs/dbraw/zinc/61/33/52/664613352.db2.gz RRKJJLDEZDRCNA-NSHDSACASA-N 1 0 376.345 2.642 20 0 GFADRO CC(C)c1nn(C)c(N(C)C)c1C[NH2+]CC1(n2cc(Br)cn2)CC1 ZINC000922801952 664614923 /nfs/dbraw/zinc/61/49/23/664614923.db2.gz GBKMYJGRLDSZKA-UHFFFAOYSA-N 1 0 395.349 2.847 20 0 GFADRO CCC[C@@H](O)CC[NH2+]Cc1cc(Br)ccc1O[C@H](C)C(=O)NC ZINC000922820291 664615529 /nfs/dbraw/zinc/61/55/29/664615529.db2.gz HLRKWPJEYKHFPQ-IUODEOHRSA-N 1 0 387.318 2.603 20 0 GFADRO O=C(NCCc1cccc(Br)c1)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000922824293 664615753 /nfs/dbraw/zinc/61/57/53/664615753.db2.gz QXWFNWWGHWYOEI-QGZVFWFLSA-N 1 0 396.329 2.544 20 0 GFADRO COC(=O)c1cnc(CC[NH2+]Cc2c(C(C)C)nc3sc(C)nn23)s1 ZINC000922832976 664616113 /nfs/dbraw/zinc/61/61/13/664616113.db2.gz MPHJNDACBYWRGI-UHFFFAOYSA-N 1 0 379.511 2.798 20 0 GFADRO O=C(Cc1ccc(F)c(Br)c1)N1CCC([NH2+]C2CCOCC2)CC1 ZINC000922860936 664616906 /nfs/dbraw/zinc/61/69/06/664616906.db2.gz OGXMGWHUVYVYRY-UHFFFAOYSA-N 1 0 399.304 2.890 20 0 GFADRO CC1(C)O[C@@H]2C[C@@H]([NH2+]Cc3ncc(I)s3)C[C@@H]2O1 ZINC000922869664 664617076 /nfs/dbraw/zinc/61/70/76/664617076.db2.gz JYSWVZCAQHIDNZ-PSVAKVPMSA-N 1 0 380.251 2.520 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+]CCO[C@@H]1CCOC1 ZINC000922937824 664619420 /nfs/dbraw/zinc/61/94/20/664619420.db2.gz BKUHKKVQGWRPBZ-QGZVFWFLSA-N 1 0 380.286 2.838 20 0 GFADRO Cn1ncc(I)c1C[NH2+]CC[C@@H]1CCC2(CCC2)O1 ZINC000922967302 664620363 /nfs/dbraw/zinc/62/03/63/664620363.db2.gz IKMLTKZBYMBYDK-NSHDSACASA-N 1 0 375.254 2.606 20 0 GFADRO Cn1nnc2c1C[C@@H]([NH2+]Cc1ccc(OC(F)F)c(Br)c1)CC2 ZINC000922993794 664620622 /nfs/dbraw/zinc/62/06/22/664620622.db2.gz LYPBQIAUIXILFS-JTQLQIEISA-N 1 0 387.228 2.826 20 0 GFADRO Cc1cc(C[NH2+][C@@H]2CCc3nnn(C)c3C2)c(C)cc1I ZINC000922992801 664620658 /nfs/dbraw/zinc/62/06/58/664620658.db2.gz SAPLLDXPGSXFTR-CYBMUJFWSA-N 1 0 396.276 2.684 20 0 GFADRO O[C@H]1C[C@H]([NH2+]Cc2cc(Br)c3c(c2)OCCCO3)C12CCOCC2 ZINC000923021818 664621300 /nfs/dbraw/zinc/62/13/00/664621300.db2.gz UMBBQECUCQANAR-HOTGVXAUSA-N 1 0 398.297 2.630 20 0 GFADRO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)c1c(F)cccc1I ZINC000923277600 664627176 /nfs/dbraw/zinc/62/71/76/664627176.db2.gz HGGYJOXSGKJQKH-WDEREUQCSA-N 1 0 388.224 2.739 20 0 GFADRO C[C@@H]1CN(C[C@@H](O)COc2ccc(Cl)cc2Br)C[C@@H](C)[NH2+]1 ZINC000923285053 664627406 /nfs/dbraw/zinc/62/74/06/664627406.db2.gz AARWEEUINODCMZ-NQBHXWOUSA-N 1 0 377.710 2.524 20 0 GFADRO Fc1cc([C@@H]2CN(C[C@@H]3CC4(C[NH2+]C4)CO3)CCO2)c(Cl)cc1Cl ZINC000923311798 664627974 /nfs/dbraw/zinc/62/79/74/664627974.db2.gz XCCWKHDLMINXSP-ZBEGNZNMSA-N 1 0 375.271 2.884 20 0 GFADRO [NH3+][C@@H]1CN(C[C@H](O)COc2c(Cl)cccc2Cl)CC[C@@H]1C(F)(F)F ZINC000923431713 664630483 /nfs/dbraw/zinc/63/04/83/664630483.db2.gz WLSKAVNPBCSLEO-OUJBWJOFSA-N 1 0 387.229 2.945 20 0 GFADRO C[C@H]1CN(Cc2nc(Cc3cccc(Br)c3)no2)CC[C@H]1C[NH3+] ZINC000923496919 664631375 /nfs/dbraw/zinc/63/13/75/664631375.db2.gz KHQVWGGENKUMBL-JSGCOSHPSA-N 1 0 379.302 2.840 20 0 GFADRO CN(Cc1cc(Br)cs1)C(=O)CN1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000923534902 664633095 /nfs/dbraw/zinc/63/30/95/664633095.db2.gz SHDKCWMGYAZXDK-MRXNPFEDSA-N 1 0 386.359 2.687 20 0 GFADRO O=S(=O)(c1cnc(-c2ccccc2)s1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000923641409 664634936 /nfs/dbraw/zinc/63/49/36/664634936.db2.gz TXXUBLWFZGLGAN-INIZCTEOSA-N 1 0 377.535 2.820 20 0 GFADRO [NH3+][C@@H]1CCO[C@H](C2CCN(S(=O)(=O)c3cscc3C(F)F)CC2)C1 ZINC000923645329 664635011 /nfs/dbraw/zinc/63/50/11/664635011.db2.gz FWVSUYODJZFEOW-YPMHNXCESA-N 1 0 380.482 2.593 20 0 GFADRO Cc1cc(Br)c(S(=O)(=O)NC[C@]23CCC[C@H]2[NH2+]CC3)s1 ZINC000923679377 664635444 /nfs/dbraw/zinc/63/54/44/664635444.db2.gz FXCOPMZDVSCCMB-DGCLKSJQSA-N 1 0 379.345 2.630 20 0 GFADRO [NH3+]C[C@@H]1CC2(CO1)CCN(S(=O)(=O)Cc1ccc(Cl)c(Cl)c1)CC2 ZINC000923686802 664635751 /nfs/dbraw/zinc/63/57/51/664635751.db2.gz GPKHOKHWRHMNMH-ZDUSSCGKSA-N 1 0 393.336 2.653 20 0 GFADRO [NH3+]C[C@H]1CC2(CO1)CCN(S(=O)(=O)c1ccc(Cl)cc1Cl)CC2 ZINC000923686805 664635760 /nfs/dbraw/zinc/63/57/60/664635760.db2.gz GQIIJBFYPAHNDN-GFCCVEGCSA-N 1 0 379.309 2.512 20 0 GFADRO [NH3+]CC[C@H]1CCN(S(=O)(=O)Cc2cccc(Cl)c2Br)C1 ZINC000923698517 664636258 /nfs/dbraw/zinc/63/62/58/664636258.db2.gz FLOKRJVHPYYRGE-JTQLQIEISA-N 1 0 381.723 2.603 20 0 GFADRO C[C@@H]1CN(S(=O)(=O)c2cc(Br)ccc2Cl)CC[C@@H]1C[NH3+] ZINC000923701790 664636416 /nfs/dbraw/zinc/63/64/16/664636416.db2.gz XJCPHQTUXWIJBJ-NXEZZACHSA-N 1 0 381.723 2.708 20 0 GFADRO O=S(=O)(c1ccc2ccccc2c1Br)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923714218 664636881 /nfs/dbraw/zinc/63/68/81/664636881.db2.gz CIIIGOLQGJGBMO-UONOGXRCSA-N 1 0 395.322 2.832 20 0 GFADRO Cc1cc(Br)c(S(=O)(=O)N2CC[C@]3(C2)CCCC[NH2+]3)s1 ZINC000923734725 664637267 /nfs/dbraw/zinc/63/72/67/664637267.db2.gz DJXLFUAXQQZHPR-ZDUSSCGKSA-N 1 0 379.345 2.726 20 0 GFADRO [NH3+]C[C@@]1(c2ccccc2)C[C@H](NS(=O)(=O)Cc2ccc(F)c(Cl)c2)C1 ZINC000923741864 664637383 /nfs/dbraw/zinc/63/73/83/664637383.db2.gz OWECTHMPWVFEOP-RHNCMZPLSA-N 1 0 382.888 2.958 20 0 GFADRO Cc1ccc(S(=O)(=O)N2C[C@H](C[C@H]3COCC[NH2+]3)c3ccccc32)s1 ZINC000923747835 664637632 /nfs/dbraw/zinc/63/76/32/664637632.db2.gz YJJFLZHHNCUIFS-GJZGRUSLSA-N 1 0 378.519 2.728 20 0 GFADRO C[NH+]1CCC(OCC(=O)OCC(=O)Nc2cc(Cl)ccc2Cl)CC1 ZINC000923794250 664638104 /nfs/dbraw/zinc/63/81/04/664638104.db2.gz KFZDMCXWTJZVEB-UHFFFAOYSA-N 1 0 375.252 2.586 20 0 GFADRO O=C1NCC2(CCOCC2)[C@@H]1[NH2+]CC1(c2cccc(Br)c2)CCC1 ZINC000924740710 664660720 /nfs/dbraw/zinc/66/07/20/664660720.db2.gz UJOGUOZJIDEBBQ-MRXNPFEDSA-N 1 0 393.325 2.756 20 0 GFADRO O[C@H](C[NH2+][C@@H]1CCOC12CCOCC2)COc1cccc(Cl)c1Cl ZINC000924787690 664661837 /nfs/dbraw/zinc/66/18/37/664661837.db2.gz ZHSCWRPCGIPCPI-IUODEOHRSA-N 1 0 376.280 2.661 20 0 GFADRO C[C@H]([NH2+]CCc1ccc(Br)s1)C1CCN(S(C)(=O)=O)CC1 ZINC000924787372 664661875 /nfs/dbraw/zinc/66/18/75/664661875.db2.gz XMNZQCRXLGZCLR-NSHDSACASA-N 1 0 395.388 2.703 20 0 GFADRO C[C@@H]([NH2+]C[C@@]1(N2CCOCC2)CCSC1)c1cccc(Br)n1 ZINC000924787717 664662010 /nfs/dbraw/zinc/66/20/10/664662010.db2.gz KLJFIFNKBISOOU-CJNGLKHVSA-N 1 0 386.359 2.703 20 0 GFADRO C[C@H]([NH2+]CC1(c2ccc(Br)cc2)CCOCC1)c1cnn(C)n1 ZINC000924903008 664663875 /nfs/dbraw/zinc/66/38/75/664663875.db2.gz RNDDOHCPKKZNPE-ZDUSSCGKSA-N 1 0 379.302 2.977 20 0 GFADRO C[C@@H]([NH2+][C@H]1CCN(CCN2CCOCC2)C1)c1csc(C(F)(F)F)c1 ZINC000925078261 664666401 /nfs/dbraw/zinc/66/64/01/664666401.db2.gz GRPXVKLOBDBTRN-HIFRSBDPSA-N 1 0 377.476 2.824 20 0 GFADRO O=C(Nc1nnc(-c2ccsc2)s1)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000925148315 664667409 /nfs/dbraw/zinc/66/74/09/664667409.db2.gz LYUKLUKHOAULSX-NEPJUHHUSA-N 1 0 381.552 2.968 20 0 GFADRO CC(C)N1C(=O)N(C[C@H]2CC[N@@H+]2C)C(=O)[C@H]1c1ccc(Br)cc1 ZINC000925195245 664668456 /nfs/dbraw/zinc/66/84/56/664668456.db2.gz HPOVGAOMQUCEOG-HUUCEWRRSA-N 1 0 380.286 2.867 20 0 GFADRO C[C@@H]([NH2+]C1CCN(S(=O)(=O)C(F)(F)F)CC1)c1cnn(C2CCC2)c1 ZINC000925268040 664669598 /nfs/dbraw/zinc/66/95/98/664669598.db2.gz WTSHQZSBBJRGNV-LLVKDONJSA-N 1 0 380.436 2.573 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)C[NH2+][C@@H]1CCOC12CCOCC2 ZINC000925331401 664670736 /nfs/dbraw/zinc/67/07/36/664670736.db2.gz WUPLLCYZRCXWPQ-OAHLLOKOSA-N 1 0 383.286 2.624 20 0 GFADRO C[C@@H]([NH2+]CCCN1CCCS1(=O)=O)c1ncc(C(F)(F)F)cc1Cl ZINC000925359434 664671054 /nfs/dbraw/zinc/67/10/54/664671054.db2.gz NKIYDCPBPXKISJ-SNVBAGLBSA-N 1 0 385.839 2.830 20 0 GFADRO CCON1CCC([NH2+]Cc2nnc(-c3ccc(Br)cc3)[nH]2)CC1 ZINC000925524249 664672862 /nfs/dbraw/zinc/67/28/62/664672862.db2.gz ZKWZMQBNUPCPCQ-UHFFFAOYSA-N 1 0 380.290 2.740 20 0 GFADRO [NH3+][C@H]1C[C@H]2COC[C@@H](C1)[C@@H]2NCC(F)(F)c1ccc(Br)cc1 ZINC000925720032 664674234 /nfs/dbraw/zinc/67/42/34/664674234.db2.gz DIFIXZOBAIJBDQ-HGSJOUDDSA-N 1 0 375.257 2.883 20 0 GFADRO Cc1ccsc1[C@@H](Cc1ccccc1)[NH2+]CC[C@H]1CNCCS1(=O)=O ZINC000925790740 664674704 /nfs/dbraw/zinc/67/47/04/664674704.db2.gz CMZFYPCBRQGGFT-ZWKOTPCHSA-N 1 0 378.563 2.707 20 0 GFADRO O=S1(=O)CCNC[C@H]1CC[NH2+][C@H]1CCCc2cc(SC(F)F)ccc21 ZINC000925796427 664675049 /nfs/dbraw/zinc/67/50/49/664675049.db2.gz OLBQHFOHBPFBDG-ZBFHGGJFSA-N 1 0 390.521 2.745 20 0 GFADRO [NH3+][C@@H]1CN(C(=O)Nc2cccc(I)c2)C[C@H]1C(F)(F)F ZINC000925901629 664677108 /nfs/dbraw/zinc/67/71/08/664677108.db2.gz JBUTWKRLVWCAIW-NXEZZACHSA-N 1 0 399.154 2.645 20 0 GFADRO O=C(Nc1cc2c(cc1Br)OCCO2)N1CC[C@]2(C1)CCCC[NH2+]2 ZINC000925909420 664677287 /nfs/dbraw/zinc/67/72/87/664677287.db2.gz HWWAKKDVQCQSJG-KRWDZBQOSA-N 1 0 396.285 2.970 20 0 GFADRO Cc1ccc(NC(=O)NC[C@@H]2CC3(CC[NH2+]CC3)C(=O)O2)c(Br)c1 ZINC000925905114 664677306 /nfs/dbraw/zinc/67/73/06/664677306.db2.gz UXJGZWRYZBPQBV-LBPRGKRZSA-N 1 0 396.285 2.564 20 0 GFADRO COc1ccc(NC(=O)NCCCCCN2CC[NH2+]CC2)cc1Br ZINC000926038634 664679695 /nfs/dbraw/zinc/67/96/95/664679695.db2.gz WHJUCAKXWFTWQL-UHFFFAOYSA-N 1 0 399.333 2.655 20 0 GFADRO C[C@@H]1C[NH2+]C[C@H]1CNC(=O)Nc1cnc(Br)c(Br)c1 ZINC000926059888 664680288 /nfs/dbraw/zinc/68/02/88/664680288.db2.gz ATKBTLGSCGGNSR-SFYZADRCSA-N 1 0 392.095 2.584 20 0 GFADRO COCCOc1ccc(Br)cc1NC(=O)N1C[C@H]([NH3+])C(C)(C)C1 ZINC000926086428 664681433 /nfs/dbraw/zinc/68/14/33/664681433.db2.gz MFCKURLHUDRJJQ-AWEZNQCLSA-N 1 0 386.290 2.675 20 0 GFADRO COC(=O)c1cccc(NC(=O)NC[C@]23CCC[C@H]2[NH2+]CC3)c1Br ZINC000926104708 664681835 /nfs/dbraw/zinc/68/18/35/664681835.db2.gz OYGXLHUGXUPCDI-CXAGYDPISA-N 1 0 396.285 2.889 20 0 GFADRO COC(=O)c1cc(NC(=O)N2C[C@@H]([NH3+])C(C)(C)C2)c(C)cc1Br ZINC000926113796 664682126 /nfs/dbraw/zinc/68/21/26/664682126.db2.gz AWQAVULNGZCXJW-CYBMUJFWSA-N 1 0 384.274 2.745 20 0 GFADRO COC(=O)c1cc(NC(=O)N2CC[C@@H](CC[NH3+])C2)c(C)cc1Br ZINC000926116632 664682233 /nfs/dbraw/zinc/68/22/33/664682233.db2.gz RLPXXWFMSYSUTP-LLVKDONJSA-N 1 0 384.274 2.747 20 0 GFADRO CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)c1snc(Cl)c1Cl)C2 ZINC000926156871 664683226 /nfs/dbraw/zinc/68/32/26/664683226.db2.gz SGQUXTXAPQGKJB-DZUGKKRCSA-N 1 0 378.325 2.659 20 0 GFADRO Cc1ccc(C(=O)N[C@@H]2C[C@]3(C[N@@H+](C)[C@@H]3C(C)C)C[C@H]2O)c(Br)c1 ZINC000926162657 664683431 /nfs/dbraw/zinc/68/34/31/664683431.db2.gz DMTIBBQWLDQNSF-YWTNHNAXSA-N 1 0 395.341 2.967 20 0 GFADRO CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NC(=O)c1ccc(F)c(Br)c1)C2 ZINC000926169366 664683599 /nfs/dbraw/zinc/68/35/99/664683599.db2.gz DAXVXZXAIIORCS-XLMAVXFVSA-N 1 0 399.304 2.798 20 0 GFADRO Cc1ccc(Br)cc1C(=O)N[C@@H]1C[C@@]2(C[N@@H+](C)[C@H]2C(C)C)C[C@H]1O ZINC000926167110 664683609 /nfs/dbraw/zinc/68/36/09/664683609.db2.gz AJMWFAAGIDAHBS-VXNCWWDNSA-N 1 0 395.341 2.967 20 0 GFADRO CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)c1ccccc1Br)C2 ZINC000926192509 664684631 /nfs/dbraw/zinc/68/46/31/664684631.db2.gz JEMDKFDASCYXLQ-CBZIJGRNSA-N 1 0 381.314 2.659 20 0 GFADRO CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)c1ccccc1Br)C2 ZINC000926192510 664684638 /nfs/dbraw/zinc/68/46/38/664684638.db2.gz JEMDKFDASCYXLQ-KONPQCLYSA-N 1 0 381.314 2.659 20 0 GFADRO O=C(N[C@H](c1ccc(Cl)cc1Cl)C(F)(F)F)N1CCNCC[NH2+]CC1 ZINC000926202521 664684722 /nfs/dbraw/zinc/68/47/22/664684722.db2.gz FJTWRXSIWAUBCD-CYBMUJFWSA-N 1 0 399.244 2.801 20 0 GFADRO O=C1NCC2(CCOCC2)[C@@H]1[NH2+]CC1(c2ccc(Br)s2)CCC1 ZINC000926399452 664689449 /nfs/dbraw/zinc/68/94/49/664689449.db2.gz CBVMJUMYKIVHPI-CQSZACIVSA-N 1 0 399.354 2.817 20 0 GFADRO O=C1NCC2(CCOCC2)[C@@H]1[NH2+][C@H]1C[C@H](c2ccc(Br)cc2)C1 ZINC000926461974 664690077 /nfs/dbraw/zinc/69/00/77/664690077.db2.gz MCEKIBYWEGDOPV-FVQBIDKESA-N 1 0 379.298 2.580 20 0 GFADRO CSCC1CCC([NH2+][C@H](C)c2ccc(S(=O)(=O)CC(N)=O)cc2)CC1 ZINC000926511379 664691176 /nfs/dbraw/zinc/69/11/76/664691176.db2.gz WKYRKJCEQLIKSA-VQCLRJIVSA-N 1 0 384.567 2.518 20 0 GFADRO Cc1ccc(C[C@H](CO)C[NH2+][C@@H]2CCOC23CCOCC3)cc1Br ZINC000926539518 664691757 /nfs/dbraw/zinc/69/17/57/664691757.db2.gz WKSAPJSQRSFXDZ-FUHWJXTLSA-N 1 0 398.341 2.836 20 0 GFADRO COc1ccc(Br)cc1C[C@@H](CO)C[NH2+][C@@H](C)c1cn(C)cn1 ZINC000926543550 664692139 /nfs/dbraw/zinc/69/21/39/664692139.db2.gz RXKXAVXAKDINDK-QWHCGFSZSA-N 1 0 382.302 2.693 20 0 GFADRO Cc1cnn([C@H]2[C@H]([NH2+][C@@H]3CCCc4ncc(Br)cc43)C[C@@H]2O)c1 ZINC000926712071 664695606 /nfs/dbraw/zinc/69/56/06/664695606.db2.gz RDLKVHPKJVGNAI-NCOADZHNSA-N 1 0 377.286 2.691 20 0 GFADRO CN1CCOC[C@@H]1C[NH2+][C@@H](c1ccc(Br)cc1)c1cccnc1 ZINC000926761262 664696365 /nfs/dbraw/zinc/69/63/65/664696365.db2.gz VFKRQQIPHCSFSQ-ROUUACIJSA-N 1 0 376.298 2.854 20 0 GFADRO CN(C)[C@H](CCNC(=O)N(CC[NH+](C)C)Cc1ccsc1)C(F)(F)F ZINC000926828970 664697439 /nfs/dbraw/zinc/69/74/39/664697439.db2.gz XXPWOKPNNXYLSX-CQSZACIVSA-N 1 0 380.480 2.704 20 0 GFADRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+]CC[C@@H]2CC[C@@H](C(F)(F)F)O2)cc1 ZINC000926907100 664698880 /nfs/dbraw/zinc/69/88/80/664698880.db2.gz BKJYAZDCRHTBNM-WHOFXGATSA-N 1 0 380.432 2.745 20 0 GFADRO C[C@H]([NH2+]CCc1nc2c(s1)CCC2)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000926931461 664699263 /nfs/dbraw/zinc/69/92/63/664699263.db2.gz BSBKVVJJGSTLDQ-ZDUSSCGKSA-N 1 0 379.551 2.775 20 0 GFADRO COc1cc([C@@H](C)[NH2+]CC[C@H](N(C)C)C(F)(F)F)ccc1S(C)(=O)=O ZINC000926963271 664699442 /nfs/dbraw/zinc/69/94/42/664699442.db2.gz NUHONQISFLEUGM-ABAIWWIYSA-N 1 0 382.448 2.632 20 0 GFADRO CS(=O)(=O)C[C@H](O)C[NH2+]C1CCC(c2cccc(C(F)(F)F)c2)CC1 ZINC000927024906 664702341 /nfs/dbraw/zinc/70/23/41/664702341.db2.gz MOHWAJGVWVNHLW-VDSRIPIWSA-N 1 0 379.444 2.727 20 0 GFADRO C[C@H]([NH2+]C[C@H](O)c1ccnn1C)c1ccc(F)c(I)c1 ZINC000927126012 664704922 /nfs/dbraw/zinc/70/49/22/664704922.db2.gz CTIYSDSRGMSRPC-XPTSAGLGSA-N 1 0 389.212 2.548 20 0 GFADRO C[C@@H](CCc1ccc(I)cc1)[NH2+]C[C@H](O)c1ccnn1C ZINC000927133573 664705057 /nfs/dbraw/zinc/70/50/57/664705057.db2.gz ZRTKFWPXQPMXPC-LRDDRELGSA-N 1 0 399.276 2.669 20 0 GFADRO C[C@H]([NH2+][C@@H]1C[C@H](O)C12CCOCC2)c1ccc(I)cc1 ZINC000927160379 664705298 /nfs/dbraw/zinc/70/52/98/664705298.db2.gz FZYDGLAAKQKVAG-GLQYFDAESA-N 1 0 387.261 2.872 20 0 GFADRO CSc1cc(Cl)ccc1NC(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000927840859 664716436 /nfs/dbraw/zinc/71/64/36/664716436.db2.gz DXWONYVUCRUTQP-NXEZZACHSA-N 1 0 395.834 2.739 20 0 GFADRO CCOc1c(Cl)cc(NC(=O)C(=O)N2CC[C@@H](C[NH3+])[C@H](C)C2)cc1Cl ZINC000927891607 664717415 /nfs/dbraw/zinc/71/74/15/664717415.db2.gz UEBZIYKMLRIJCO-MNOVXSKESA-N 1 0 388.295 2.774 20 0 GFADRO O=C(N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12)C1=C(c2ccccc2)SCCO1 ZINC000928081338 664722104 /nfs/dbraw/zinc/72/21/04/664722104.db2.gz SCCWVAUTUONGDY-CVEARBPZSA-N 1 0 376.547 2.815 20 0 GFADRO Cc1cc(C(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@@H]23)c(C)n1-c1nccs1 ZINC000928093011 664722736 /nfs/dbraw/zinc/72/27/36/664722736.db2.gz JOMLSIUNUYBARB-CVEARBPZSA-N 1 0 376.551 2.860 20 0 GFADRO O=C(Cc1ccc(Br)s1)N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000928091148 664722792 /nfs/dbraw/zinc/72/27/92/664722792.db2.gz CGICEPDBAOLRCN-NWDGAFQWSA-N 1 0 375.357 2.749 20 0 GFADRO C[NH+](C)CCn1ccc(C(=O)N2CCC[C@H]2c2cncc(Br)c2)n1 ZINC000928353360 664728369 /nfs/dbraw/zinc/72/83/69/664728369.db2.gz HJDCRQGDLCMKSR-INIZCTEOSA-N 1 0 392.301 2.580 20 0 GFADRO COc1ncc(C(=O)N[C@H](CC[NH+](C)C)c2cccnc2)cc1Br ZINC000928828659 664740479 /nfs/dbraw/zinc/74/04/79/664740479.db2.gz BTHCOKLKQFOUIK-OAHLLOKOSA-N 1 0 393.285 2.671 20 0 GFADRO CC[NH+](CC)CCNC(=O)c1cc(Br)cnc1Br ZINC000929106895 664746658 /nfs/dbraw/zinc/74/66/58/664746658.db2.gz YXVWFTLPOFICMN-UHFFFAOYSA-N 1 0 379.096 2.678 20 0 GFADRO Cc1[nH]nc(Br)c1C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000929185845 664748019 /nfs/dbraw/zinc/74/80/19/664748019.db2.gz LCBLSAIQOGRMDX-UHFFFAOYSA-N 1 0 377.286 2.875 20 0 GFADRO COCCOCCOCCN1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000929345277 664750733 /nfs/dbraw/zinc/75/07/33/664750733.db2.gz PZILPNLHFKJWRR-KRWDZBQOSA-N 1 0 388.302 2.502 20 0 GFADRO CC(C)[NH+]1CCC(NC(=O)C[C@H]2C(=O)Nc3c2cccc3Br)CC1 ZINC000929433103 664752317 /nfs/dbraw/zinc/75/23/17/664752317.db2.gz DZAJTPZHVKGBEF-CQSZACIVSA-N 1 0 394.313 2.864 20 0 GFADRO O=C(NC1CC[NH+](C2CC2)CC1)c1cc2ccc(Br)cc2c(=O)o1 ZINC000929620109 664755033 /nfs/dbraw/zinc/75/50/33/664755033.db2.gz SINIHNCCKDHBKW-UHFFFAOYSA-N 1 0 391.265 2.912 20 0 GFADRO Cn1nc2c(cc1=O)C[N@@H+](CCCCOc1ccc(Br)cc1)CC2 ZINC000929755520 664757351 /nfs/dbraw/zinc/75/73/51/664757351.db2.gz NYFIWDMPMKNBJO-UHFFFAOYSA-N 1 0 392.297 2.760 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000929771247 664757456 /nfs/dbraw/zinc/75/74/56/664757456.db2.gz MTIKYNAEPZJVKA-HZPDHXFCSA-N 1 0 382.302 2.820 20 0 GFADRO Nc1nc(Br)ccc1CN1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000929802805 664757896 /nfs/dbraw/zinc/75/78/96/664757896.db2.gz LBZAUHSNEZBEMU-HNNXBMFYSA-N 1 0 384.318 2.976 20 0 GFADRO Cc1cccc(C[N@@H+](C)C2CCN(S(C)(=O)=O)CC2)c1Br ZINC000929831012 664758535 /nfs/dbraw/zinc/75/85/35/664758535.db2.gz CCHJRDZSCBRDDM-UHFFFAOYSA-N 1 0 375.332 2.613 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)C1(n2cc(Br)cn2)CC1)c1ccsc1 ZINC000929999839 664761144 /nfs/dbraw/zinc/76/11/44/664761144.db2.gz NLZQQEXJSZYCLP-CYBMUJFWSA-N 1 0 383.315 2.615 20 0 GFADRO CC(C)(C)NS(=O)(=O)C1([C@H](O)C[NH2+][C@H](c2cccs2)C2CC2)CCC1 ZINC000930187014 664764049 /nfs/dbraw/zinc/76/40/49/664764049.db2.gz AIBPLVPXQZSBHH-CVEARBPZSA-N 1 0 386.583 2.790 20 0 GFADRO O[C@H](C[NH2+][C@@H](c1ccc(Br)cc1)C1CCC1)C[C@@]1(O)CCOC1 ZINC000930209921 664764581 /nfs/dbraw/zinc/76/45/81/664764581.db2.gz DMMPMUSMFLTCHL-KSZLIROESA-N 1 0 384.314 2.782 20 0 GFADRO CC(C)[C@H](CNC(=O)c1cc(=O)n(C)cc1Br)[NH+]1CCC(C)CC1 ZINC000930210631 664764676 /nfs/dbraw/zinc/76/46/76/664764676.db2.gz HLWGCYOMNWVFHT-INIZCTEOSA-N 1 0 398.345 2.634 20 0 GFADRO CC1(c2ccc(Br)cc2)CC[NH+](C[C@@H](O)C[C@]2(O)CCOC2)CC1 ZINC000930320595 664767031 /nfs/dbraw/zinc/76/70/31/664767031.db2.gz ZQVPXEPWFOVJBD-PKOBYXMFSA-N 1 0 398.341 2.705 20 0 GFADRO Cn1cc(Br)c(C(=O)N(CC[NH+](C)C)CC2CCCCC2)cc1=O ZINC000930497329 664771822 /nfs/dbraw/zinc/77/18/22/664771822.db2.gz ZGPRMTRBUMAAAZ-UHFFFAOYSA-N 1 0 398.345 2.732 20 0 GFADRO CC1(C)Cc2c(cccc2Br)[C@@H]1[NH2+]C[C@H](O)C[C@]1(O)CCOC1 ZINC000930553826 664773049 /nfs/dbraw/zinc/77/30/49/664773049.db2.gz YFKQBMDRPKPMPL-PZPSRYQVSA-N 1 0 384.314 2.565 20 0 GFADRO CC[NH+]1CCC(CNC(=O)C[C@H]2C(=O)Nc3ccc(Br)cc32)CC1 ZINC000930587695 664773771 /nfs/dbraw/zinc/77/37/71/664773771.db2.gz KYOMCXKRAIXPQA-OAHLLOKOSA-N 1 0 394.313 2.723 20 0 GFADRO CC[NH+](CC)[C@@H](CNC(=O)c1cc(=O)n(C)cc1Br)c1ccco1 ZINC000930917194 664780994 /nfs/dbraw/zinc/78/09/94/664780994.db2.gz QHXCJWSZVZLRSY-AWEZNQCLSA-N 1 0 396.285 2.554 20 0 GFADRO CCOC(=O)[C@H](c1nc(Br)sc1C)N1CC[C@@H]([NH+](C)C)[C@@H]1C ZINC000931038407 664783727 /nfs/dbraw/zinc/78/37/27/664783727.db2.gz QIUOBQMMQJSXDN-NDMJEZRESA-N 1 0 390.347 2.843 20 0 GFADRO O=C(c1cnn2cccc(Br)c12)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000931190798 664787982 /nfs/dbraw/zinc/78/79/82/664787982.db2.gz UMLNAMCKQLLOBG-ZDUSSCGKSA-N 1 0 377.286 2.797 20 0 GFADRO C[N@@H+]1C[C@@]2(C)CN(Cc3nnc(-c4ccc(Br)o4)o3)C[C@@]2(C)C1 ZINC000931305055 664791027 /nfs/dbraw/zinc/79/10/27/664791027.db2.gz TZFHNWULFTWWIC-IYBDPMFKSA-N 1 0 381.274 2.866 20 0 GFADRO CN1CCN(C(=O)Nc2cccc(Br)c2Cl)CC[N@H+](C)CC1 ZINC000931318218 664791446 /nfs/dbraw/zinc/79/14/46/664791446.db2.gz UDDRPIMNWFCEAL-UHFFFAOYSA-N 1 0 389.725 2.814 20 0 GFADRO CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C1(n2cc(Br)cn2)CC1 ZINC000931345862 664792173 /nfs/dbraw/zinc/79/21/73/664792173.db2.gz ALUCWXPMFUNLQK-UHFFFAOYSA-N 1 0 391.313 2.855 20 0 GFADRO CNC(=O)c1cccc(NC(=O)NC[C@H]2CCCC[N@H+](C)C2)c1Br ZINC000931406228 664794039 /nfs/dbraw/zinc/79/40/39/664794039.db2.gz NSIPCRKRBLUETO-GFCCVEGCSA-N 1 0 397.317 2.662 20 0 GFADRO C[C@@H](C(=O)Nc1ccc(Br)cc1)N1CCc2[nH+]ccc(N)c2C1 ZINC000931514353 664797118 /nfs/dbraw/zinc/79/71/18/664797118.db2.gz OWPBQTDUAWZRTD-NSHDSACASA-N 1 0 375.270 2.812 20 0 GFADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)Nc3cscc3Br)CC2)C1 ZINC000931626342 664800980 /nfs/dbraw/zinc/80/09/80/664800980.db2.gz BJJDVDDZRHBCDA-LBPRGKRZSA-N 1 0 387.347 2.754 20 0 GFADRO COCCC[NH+]1CCC(NC(=O)c2cnc(CCC(F)(F)F)s2)CC1 ZINC000931628309 664801055 /nfs/dbraw/zinc/80/10/55/664801055.db2.gz NEUNKPHVWIVCST-UHFFFAOYSA-N 1 0 379.448 2.869 20 0 GFADRO O=C(c1cc(Br)c2nccnc2c1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000931651322 664801774 /nfs/dbraw/zinc/80/17/74/664801774.db2.gz PKUXYXXGNWAMTP-CYBMUJFWSA-N 1 0 375.270 2.703 20 0 GFADRO C[C@]1(Cc2cccc(Br)c2)CCC[N@@H+]1C[C@H](O)C1(O)CCOCC1 ZINC000931747177 664804286 /nfs/dbraw/zinc/80/42/86/664804286.db2.gz NKFYRXCOYLMQBN-ZWKOTPCHSA-N 1 0 398.341 2.749 20 0 GFADRO O=C(Nc1cccc(Br)c1F)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000931950168 664807774 /nfs/dbraw/zinc/80/77/74/664807774.db2.gz JZWCZHPHDYNVHK-UONOGXRCSA-N 1 0 386.265 2.651 20 0 GFADRO C[C@@]1([C@@H]2CCC[N@H+](Cc3cn4cc(Br)ccc4n3)C2)COC(=O)N1 ZINC000932027515 664808996 /nfs/dbraw/zinc/80/89/96/664808996.db2.gz QJGDHBSQIZJNOH-PXAZEXFGSA-N 1 0 393.285 2.807 20 0 GFADRO O=C(N[C@H]1CC[N@H+](CC2CC2)C1)c1cc(Br)c2nccnc2c1 ZINC000932297823 664818603 /nfs/dbraw/zinc/81/86/03/664818603.db2.gz CJRGMGCLZCEOQP-ZDUSSCGKSA-N 1 0 375.270 2.606 20 0 GFADRO C[NH+](C)C1CCN(C(=O)c2cnn(Cc3ccccc3)c2Br)CC1 ZINC000932358655 664820396 /nfs/dbraw/zinc/82/03/96/664820396.db2.gz OKTJCIVWFYSCQU-UHFFFAOYSA-N 1 0 391.313 2.860 20 0 GFADRO O=C(NCCCCC[NH+]1CCCCC1)c1cc(Br)cn2ncnc12 ZINC000932523648 664824445 /nfs/dbraw/zinc/82/44/45/664824445.db2.gz XKLBCSCLTHRDNL-UHFFFAOYSA-N 1 0 394.317 2.878 20 0 GFADRO CC(C)[C@H](C[NH+](C)C)NC(=O)C[C@H]1C(=O)Nc2c1cccc2Br ZINC000932714086 664832621 /nfs/dbraw/zinc/83/26/21/664832621.db2.gz XESUWOULLNDNOU-OCCSQVGLSA-N 1 0 382.302 2.577 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)c2ncc(Br)cn2)C1 ZINC000932802378 664839257 /nfs/dbraw/zinc/83/92/57/664839257.db2.gz SQZCJEXSSCHTMK-KGLIPLIRSA-N 1 0 381.318 2.966 20 0 GFADRO O=C1O[C@@H](C[N@H+]2CCC[C@](O)(c3ccc(Br)cc3)C2)CC12CC2 ZINC000932814158 664839774 /nfs/dbraw/zinc/83/97/74/664839774.db2.gz CJBPBGVQVTUUPU-CRAIPNDOSA-N 1 0 380.282 2.828 20 0 GFADRO O[C@@H](CCC1(O)CCC1)C[N@@H+]1CCC[C@@](O)(c2ccc(Br)cc2)C1 ZINC000932816784 664840199 /nfs/dbraw/zinc/84/01/99/664840199.db2.gz ZJFGADKYBHSPGL-HKUYNNGSSA-N 1 0 398.341 2.789 20 0 GFADRO COc1ncc(NC(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)c(C)c1Br ZINC000932951163 664844744 /nfs/dbraw/zinc/84/47/44/664844744.db2.gz GFMUXNYNCSHGHX-NSHDSACASA-N 1 0 383.290 2.933 20 0 GFADRO COc1ncc(NC(=O)N2CC[C@H]([NH+]3CC=CC3)C2)c(C)c1Br ZINC000932950454 664844754 /nfs/dbraw/zinc/84/47/54/664844754.db2.gz TVQKRWKSKADFDB-LBPRGKRZSA-N 1 0 381.274 2.639 20 0 GFADRO COc1ncc(NC(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)c(C)c1Br ZINC000932957537 664845423 /nfs/dbraw/zinc/84/54/23/664845423.db2.gz DWPJPYTZBIUUNN-MRXNPFEDSA-N 1 0 383.290 2.721 20 0 GFADRO C[C@@H]1C[C@H](C[N@@H+]2CCn3ncc(I)c3C2)C[C@H](C)O1 ZINC000933108796 664849710 /nfs/dbraw/zinc/84/97/10/664849710.db2.gz CGZKURJGJZFKQA-GDNZZTSVSA-N 1 0 375.254 2.507 20 0 GFADRO CC[C@@H]1C(=O)NCCC[N@H+]1CCC(=O)Nc1ccc(Br)cc1F ZINC000933221138 664852899 /nfs/dbraw/zinc/85/28/99/664852899.db2.gz JROLQJMDSUVWSN-CQSZACIVSA-N 1 0 386.265 2.517 20 0 GFADRO C[C@@](CO)(Cc1ccc(Br)cc1)[NH2+]Cc1nccn1CC(F)F ZINC000933438005 664864038 /nfs/dbraw/zinc/86/40/38/664864038.db2.gz CBABQRDNVPOMEC-INIZCTEOSA-N 1 0 388.256 2.994 20 0 GFADRO C[C@@](CO)(Cc1ccc(Br)cc1)[NH2+]CCc1ccc(C(N)=O)cc1 ZINC000933439177 664864284 /nfs/dbraw/zinc/86/42/84/664864284.db2.gz JVNUMVOUCCLPQY-IBGZPJMESA-N 1 0 391.309 2.674 20 0 GFADRO Cc1ncc(CNC(=O)CC[NH2+][C@@](C)(CO)Cc2ccc(Cl)cc2)s1 ZINC000933441818 664864668 /nfs/dbraw/zinc/86/46/68/664864668.db2.gz DWFPAJQKQAAKJQ-GOSISDBHSA-N 1 0 381.929 2.695 20 0 GFADRO C[NH+](C)C1CCN(CCNC(=O)C/C=C\c2ccc(Br)cc2)CC1 ZINC000934164100 664891349 /nfs/dbraw/zinc/89/13/49/664891349.db2.gz CIBUIVVKGLDAAX-ARJAWSKDSA-N 1 0 394.357 2.995 20 0 GFADRO C[C@@](Cn1cccn1)([NH2+]CC/C=C/c1ccc(Br)cc1)C(N)=O ZINC000934228264 664893006 /nfs/dbraw/zinc/89/30/06/664893006.db2.gz ZEBLIDPKEKDYLQ-RTZWDOBSSA-N 1 0 377.286 2.583 20 0 GFADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cnn2cccc(Br)c12 ZINC000934319534 664898572 /nfs/dbraw/zinc/89/85/72/664898572.db2.gz LCTXOAKZSYVJGG-OLZOCXBDSA-N 1 0 377.286 2.796 20 0 GFADRO C[C@H]1C[C@@H](NC(=O)c2cc(Br)c3nccnc3c2)C[N@@H+]1C1CC1 ZINC000934397787 664905159 /nfs/dbraw/zinc/90/51/59/664905159.db2.gz QCURBCIBXZEKMA-CMPLNLGQSA-N 1 0 375.270 2.747 20 0 GFADRO O[C@@H](C[NH2+][C@H]1CCOC12CCOCC2)COc1cc(Cl)ccc1Cl ZINC000934408444 664906093 /nfs/dbraw/zinc/90/60/93/664906093.db2.gz CTGHDECJIDRSIP-BBRMVZONSA-N 1 0 376.280 2.661 20 0 GFADRO O[C@@H](C[NH2+][C@H]1CCOC12CCOCC2)COc1ccc(Cl)c(Cl)c1 ZINC000934411419 664906516 /nfs/dbraw/zinc/90/65/16/664906516.db2.gz YYFNIYKKTZWLPB-LRDDRELGSA-N 1 0 376.280 2.661 20 0 GFADRO C[C@@](CO)([NH2+]C[C@H]1CC2(CO1)CCOCC2)c1cccc(Br)c1 ZINC000934494445 664908683 /nfs/dbraw/zinc/90/86/83/664908683.db2.gz INFIELGKJZDIJM-SJORKVTESA-N 1 0 384.314 2.832 20 0 GFADRO O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)c1cc(Br)cnc1C1CC1 ZINC000934723380 664915854 /nfs/dbraw/zinc/91/58/54/664915854.db2.gz CQHSDHCMDNYOTE-OAHLLOKOSA-N 1 0 394.313 2.705 20 0 GFADRO Cn1c(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cc2cc(Br)cnc21 ZINC000934888579 664928179 /nfs/dbraw/zinc/92/81/79/664928179.db2.gz DBYKQPSWWIIZGR-DOMZBBRYSA-N 1 0 391.313 2.892 20 0 GFADRO C[NH+](C)C[C@@](C)(O)CNC(=O)c1cc(-c2ccc(Br)cc2)ns1 ZINC000935052081 664936655 /nfs/dbraw/zinc/93/66/55/664936655.db2.gz NYUOLGTUBMZDMH-INIZCTEOSA-N 1 0 398.326 2.615 20 0 GFADRO CC[NH+](CC)CCN(C(=O)c1ccsc1C(F)F)[C@H]1CCS(=O)(=O)C1 ZINC000935092571 664939279 /nfs/dbraw/zinc/93/92/79/664939279.db2.gz KWZCFXUUTOQMDO-LBPRGKRZSA-N 1 0 394.509 2.657 20 0 GFADRO CC(C)[NH+]1CCN(C2CCN(C(=O)c3cc(C=O)sc3Cl)CC2)CC1 ZINC000935129484 664941468 /nfs/dbraw/zinc/94/14/68/664941468.db2.gz BNYQORBEOVAXFI-UHFFFAOYSA-N 1 0 383.945 2.845 20 0 GFADRO C[C@@H]1Cc2ccc(Br)cc2CN1C(=O)COC1CC[NH+](C)CC1 ZINC000935178017 664944795 /nfs/dbraw/zinc/94/47/95/664944795.db2.gz VUYPSKVOVPPZFE-CYBMUJFWSA-N 1 0 381.314 2.833 20 0 GFADRO C[C@H](NC(=O)c1ncc(Br)cn1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000935288345 664950983 /nfs/dbraw/zinc/95/09/83/664950983.db2.gz UFLOBQVLRGFKFH-DZGCQCFKSA-N 1 0 389.297 2.880 20 0 GFADRO C[C@H](NC(=O)[C@@](C)(O)c1ccc(F)c(Br)c1)C1=CC[N@H+](C)CC1 ZINC000935316575 664953560 /nfs/dbraw/zinc/95/35/60/664953560.db2.gz UMYLPTNIDHNWIP-GTNSWQLSSA-N 1 0 385.277 2.562 20 0 GFADRO Cc1[nH]nc(Br)c1C(=O)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000935408413 664959571 /nfs/dbraw/zinc/95/95/71/664959571.db2.gz CETJSVAVEUVXTN-RISCZKNCSA-N 1 0 377.286 2.731 20 0 GFADRO C[C@H](CCN1CC[NH+](C)CC1)NC(=O)c1ncc(C(F)(F)F)cc1Cl ZINC000935445128 664962053 /nfs/dbraw/zinc/96/20/53/664962053.db2.gz IIXIIOXRLXFJIH-LLVKDONJSA-N 1 0 378.826 2.510 20 0 GFADRO CC[N@H+](CCNC(=O)C1(n2cc(Br)cn2)CC1)CCC(F)(F)F ZINC000935639935 664975521 /nfs/dbraw/zinc/97/55/21/664975521.db2.gz SVVQNBJWWHAKNV-UHFFFAOYSA-N 1 0 397.239 2.525 20 0 GFADRO COc1cc(Br)cc(C(=O)N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)c1 ZINC000935697322 664982507 /nfs/dbraw/zinc/98/25/07/664982507.db2.gz OKRPWVVMPHMRQP-ZDUSSCGKSA-N 1 0 397.313 2.783 20 0 GFADRO CC[C@H]1C[N@H+](C)CCCN1C(=O)C[C@@H]1C(=O)Nc2c1cccc2Br ZINC000935774420 664987866 /nfs/dbraw/zinc/98/78/66/664987866.db2.gz HCLAXPNYZCVOQB-JSGCOSHPSA-N 1 0 394.313 2.818 20 0 GFADRO CC[NH+](CC)CC[C@H](CO)NC(=O)c1c(C)c(Br)ccc1F ZINC000935779604 664988173 /nfs/dbraw/zinc/98/81/73/664988173.db2.gz FQRLKFRWUQCTCI-GFCCVEGCSA-N 1 0 375.282 2.719 20 0 GFADRO C[C@@H]1[C@H](C(=O)NC[C@H]2CC[C@@H](NC(=O)c3ccc(Cl)s3)C2)CC[N@@H+]1C ZINC000981466906 665018207 /nfs/dbraw/zinc/01/82/07/665018207.db2.gz LADSWUHOKGOXLR-XJFOESAGSA-N 1 0 383.945 2.756 20 0 GFADRO CC[C@@H]1[C@@H](C(=O)N[C@H]2CCN(C(=O)c3sccc3Cl)[C@@H]2C)CC[N@@H+]1C ZINC000988330699 665020532 /nfs/dbraw/zinc/02/05/32/665020532.db2.gz UTENAFOSXKKOAB-PAPYEOQZSA-N 1 0 383.945 2.851 20 0 GFADRO C[C@H]1CC[N@H+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)c2ccsc2Cl)C1 ZINC001000484786 665046960 /nfs/dbraw/zinc/04/69/60/665046960.db2.gz PCOUAAIOVQOTNB-NEBZKDRISA-N 1 0 381.929 2.605 20 0 GFADRO C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1sccc1Cl ZINC001006281673 665069678 /nfs/dbraw/zinc/06/96/78/665069678.db2.gz UUEGBTAMSLMKNM-GBOPCIDUSA-N 1 0 381.929 2.748 20 0 GFADRO O=C(NC1CCC([NH2+]Cc2ncc(Cl)s2)CC1)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001026530121 665074721 /nfs/dbraw/zinc/07/47/21/665074721.db2.gz FMLFKMKJJQRDFB-PLGNEUMSSA-N 1 0 381.929 2.737 20 0 GFADRO CC1(NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC[NH+](CC[C@@H]2CC2(Cl)Cl)CC1 ZINC001045510256 665076928 /nfs/dbraw/zinc/07/69/28/665076928.db2.gz VMOJNRSWWVNJRK-RDGWLKQMSA-N 1 0 387.351 2.964 20 0 GFADRO C[N@H+](CCCO)C1CCN(C[C@@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000115548361 677395371 /nfs/dbraw/zinc/39/53/71/677395371.db2.gz MNKYQLJYNAWEML-MRXNPFEDSA-N 1 0 391.339 2.512 20 0 GFADRO C[C@H](NS(=O)(=O)c1ccc(Cl)nc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000381190639 677406044 /nfs/dbraw/zinc/40/60/44/677406044.db2.gz XJKCMGGUHMMTGT-HOCLYGCPSA-N 1 0 379.913 2.924 20 0 GFADRO CC[C@@H]1C[N@H+](C)CCCN1S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1C ZINC000392542354 677410094 /nfs/dbraw/zinc/41/00/94/677410094.db2.gz LQLSSQPSLFQDRB-GFCCVEGCSA-N 1 0 375.878 2.661 20 0 GFADRO CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3CN(Cc4ncc(Cl)s4)C[C@H]32)CC[N@@H+]1C ZINC001075813739 677675984 /nfs/dbraw/zinc/67/59/84/677675984.db2.gz WXHQKTBYFLXZTF-BYNSBNAKSA-N 1 0 382.961 2.560 20 0 GFADRO FC(F)(F)[C@@H]1CCC2(CC[NH2+]CC2)N1c1ccc(CN2CCOCC2)cn1 ZINC001164413087 718879923 /nfs/dbraw/zinc/87/99/23/718879923.db2.gz ATEFJSLXOVQONX-INIZCTEOSA-N 1 0 384.446 2.567 20 0 GFADRO [NH3+][C@@]12C[C@@H]1CN(C(F)(F)c1nc(Cl)ncc1C(=O)OCc1ccccc1)C2 ZINC001164416330 718886053 /nfs/dbraw/zinc/88/60/53/718886053.db2.gz VCZXCWUIQRZFJY-SJKOYZFVSA-N 1 0 394.809 2.569 20 0 GFADRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@@H]2N1C(F)(F)c1cnc(Cl)c(Cl)c1 ZINC001164618905 719012569 /nfs/dbraw/zinc/01/25/69/719012569.db2.gz URDVKNMPOQCPQC-UWJYBYFXSA-N 1 0 380.222 2.663 20 0 GFADRO CCOC(=O)C1CC[NH+](C2CCN(c3nc(C)nc(Cl)c3OC)CC2)CC1 ZINC001164617059 719026444 /nfs/dbraw/zinc/02/64/44/719026444.db2.gz JVCQCXRAVNARDF-UHFFFAOYSA-N 1 0 396.919 2.691 20 0 GFADRO CCOC(=O)C1CC[NH+](C2CCN(c3cc(OCC4CC4)ncn3)CC2)CC1 ZINC001164618476 719028895 /nfs/dbraw/zinc/02/88/95/719028895.db2.gz XGHLBVQWUXKVJD-UHFFFAOYSA-N 1 0 388.512 2.509 20 0 GFADRO CCOC(=O)C1CC[NH+](C2CCN(c3nccnc3OC(C)C)CC2)CC1 ZINC001164618045 719034147 /nfs/dbraw/zinc/03/41/47/719034147.db2.gz RLSOFBBKEYPAQK-UHFFFAOYSA-N 1 0 376.501 2.508 20 0 GFADRO COC(=O)c1cnc(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)cc1OC ZINC001164629880 719060915 /nfs/dbraw/zinc/06/09/15/719060915.db2.gz ZROADGXMCBNOIU-IEBWSBKVSA-N 1 0 381.476 2.978 20 0 GFADRO Cc1ccc(S(=O)(=O)n2ccc3c2ncnc3N2C[C@@H](C)[N@@H+](C)C[C@H]2C)cc1 ZINC001164634964 719160501 /nfs/dbraw/zinc/16/05/01/719160501.db2.gz KNKZHYQILDFHFM-HZPDHXFCSA-N 1 0 399.520 2.506 20 0 GFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(Cl)nc3[nH]cc(F)c31)C2 ZINC001164811364 720070649 /nfs/dbraw/zinc/07/06/49/720070649.db2.gz OADUBNBXORIBPS-ORAYPTAESA-N 1 0 393.894 2.935 20 0 GFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1ccc(Cl)nn1)C2 ZINC001164806400 720086072 /nfs/dbraw/zinc/08/60/72/720086072.db2.gz CBBAGLZDWCUNLD-YOEHRIQHSA-N 1 0 386.874 2.860 20 0 GFADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(C)ncc1C)CC2 ZINC001164714201 720112005 /nfs/dbraw/zinc/11/20/05/720112005.db2.gz APJHGKPFCJAKOR-HXUWFJFHSA-N 1 0 381.524 2.996 20 0 GFADRO COCc1cc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COC)nc(SC)n1 ZINC001164811053 720112590 /nfs/dbraw/zinc/11/25/90/720112590.db2.gz KRLQOTYJCJGLQO-JXFKEZNVSA-N 1 0 392.569 2.530 20 0 GFADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(C)nc(OC)n1)CC2 ZINC001164715608 720117719 /nfs/dbraw/zinc/11/77/19/720117719.db2.gz IJMMAOWTIOCQIT-IBGZPJMESA-N 1 0 397.523 2.696 20 0 GFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ncccc1-c1nc(C)no1)C2 ZINC001164817732 720171547 /nfs/dbraw/zinc/17/15/47/720171547.db2.gz PYRYMSAIIYEROZ-LAUBAEHRSA-N 1 0 383.496 2.625 20 0 GFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(C(N)=O)cc3ccccc31)C2 ZINC001164817832 720176802 /nfs/dbraw/zinc/17/68/02/720176802.db2.gz QJFPMXTXQICHGA-FDDCHVKYSA-N 1 0 394.519 2.518 20 0 GFADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2nnc(Cl)cc2Cl)CC1 ZINC001164819285 720295617 /nfs/dbraw/zinc/29/56/17/720295617.db2.gz DIPMSCFTYRSNKM-LSDHHAIUSA-N 1 0 398.338 2.695 20 0 GFADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2ncnc3cc(F)ccc32)CC1 ZINC001164819586 720299226 /nfs/dbraw/zinc/29/92/26/720299226.db2.gz DNGBVOBQKQIHIZ-VQTJNVASSA-N 1 0 397.498 2.680 20 0 GFADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2ncnc3ccc(F)cc32)CC1 ZINC001164821944 720299691 /nfs/dbraw/zinc/29/96/91/720299691.db2.gz MAOUZFROVCLOMK-PMACEKPBSA-N 1 0 397.498 2.680 20 0 GFADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2cnc3ccc(F)cc3n2)CC1 ZINC001164823161 720313398 /nfs/dbraw/zinc/31/33/98/720313398.db2.gz PBFIKXXJRVVJBX-PMACEKPBSA-N 1 0 397.498 2.680 20 0 GFADRO Cc1nc(Cl)c(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc1C ZINC001164834366 720319805 /nfs/dbraw/zinc/31/98/05/720319805.db2.gz ZRFPVLGWIPIIST-DLBZAZTESA-N 1 0 391.947 2.658 20 0 GFADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2nccc3scnc32)CC1 ZINC001164833938 720321947 /nfs/dbraw/zinc/32/19/47/720321947.db2.gz YARWFPXBTGMKLR-JKSUJKDBSA-N 1 0 385.537 2.603 20 0 GFADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2nncc3ccc(F)cc32)CC1 ZINC001164828464 720322606 /nfs/dbraw/zinc/32/26/06/720322606.db2.gz JQBWTBZNANRDPQ-WOJBJXKFSA-N 1 0 397.498 2.680 20 0 GFADRO CCc1cc(CC)nc(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164826027 720353136 /nfs/dbraw/zinc/35/31/36/720353136.db2.gz KCWLRNJWAXELIK-VQTJNVASSA-N 1 0 385.556 2.513 20 0 GFADRO CCOC(=O)c1cc2ccc(N3CC[C@@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)[nH]c-2n1 ZINC001164730876 720410661 /nfs/dbraw/zinc/41/06/61/720410661.db2.gz JHJRDLHCVCNUAB-MOPGFXCFSA-N 1 0 391.475 2.988 20 0 GFADRO O=C(c1ccnc(N2CC[C@@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)c1)N1CCCC1 ZINC001164727623 720412203 /nfs/dbraw/zinc/41/22/03/720412203.db2.gz DSSMCGGUYLRBFR-WOJBJXKFSA-N 1 0 377.492 2.566 20 0 GFADRO Cc1cnc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)nc1NC1CC1 ZINC001164841653 720505087 /nfs/dbraw/zinc/50/50/87/720505087.db2.gz ZHBYBWROAFGOIF-MISYRCLQSA-N 1 0 395.555 2.934 20 0 GFADRO COc1nc(Cl)cc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)n1 ZINC001164836073 720509963 /nfs/dbraw/zinc/50/99/63/720509963.db2.gz MCQXVOYCEYZNIH-HRCADAONSA-N 1 0 390.919 2.713 20 0 GFADRO COc1cccc2c1nc(Cl)nc2N1Cc2nccn2C[C@H](C[NH+](C)C)C1 ZINC001164730045 720514005 /nfs/dbraw/zinc/51/40/05/720514005.db2.gz QHJXSCFXKNIRDW-ZDUSSCGKSA-N 1 0 386.887 2.686 20 0 GFADRO C[NH+](C)C[C@H]1Cn2ccnc2CN(c2cc(-c3nc(C(C)(C)C)no3)ccn2)C1 ZINC001164733312 720521669 /nfs/dbraw/zinc/52/16/69/720521669.db2.gz IWVLCHJWLPDHDJ-HNNXBMFYSA-N 1 0 395.511 2.824 20 0 GFADRO COc1ccc(-c2cc(N3Cc4nccn4C[C@@H](C[NH+](C)C)C3)ncn2)cc1 ZINC001164734964 720526778 /nfs/dbraw/zinc/52/67/78/720526778.db2.gz UHADVBYGDHZGNS-MRXNPFEDSA-N 1 0 378.480 2.547 20 0 GFADRO COC(=O)c1cc(C)cc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)n1 ZINC001164840223 720564264 /nfs/dbraw/zinc/56/42/64/720564264.db2.gz SGJVFAYWYZIKGS-CMKODMSKSA-N 1 0 397.523 2.751 20 0 GFADRO COC(=O)c1cc(C)cc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)n1 ZINC001164840227 720564531 /nfs/dbraw/zinc/56/45/31/720564531.db2.gz SGJVFAYWYZIKGS-WSTZPKSXSA-N 1 0 397.523 2.751 20 0 GFADRO CCN(CC)c1cc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)ncn1 ZINC001164839292 720572313 /nfs/dbraw/zinc/57/23/13/720572313.db2.gz PUOYNSNTLSNIIH-XUVXKRRUSA-N 1 0 397.571 2.897 20 0 GFADRO CC(C)[N@H+]1[C@@H]2CCN(c3nnc4ccccc4n3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164841540 720615166 /nfs/dbraw/zinc/61/51/66/720615166.db2.gz SQTZCOYYCWQRJD-FUHIMQAGSA-N 1 0 377.496 2.599 20 0 GFADRO CC(C)[N@H+]1[C@@H]2CCN(c3ncc(C(F)F)cn3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164839514 720636760 /nfs/dbraw/zinc/63/67/60/720636760.db2.gz NXAZJBCDPMETGH-BHYGNILZSA-N 1 0 376.455 2.989 20 0 GFADRO FC(F)(Oc1cnc(Cl)cn1)N1CCCn2cnc(C[NH2+]C3CCC3)c2C1 ZINC001164843503 720739498 /nfs/dbraw/zinc/73/94/98/720739498.db2.gz LWBQFFCXHLMFKT-UHFFFAOYSA-N 1 0 398.845 2.804 20 0 GFADRO Fc1ccc(Cl)nc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164740261 720817964 /nfs/dbraw/zinc/81/79/64/720817964.db2.gz JXWHFDAVFRELPE-HLLBOEOZSA-N 1 0 390.894 2.845 20 0 GFADRO CCc1cc(CC)nc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164748672 720858915 /nfs/dbraw/zinc/85/89/15/720858915.db2.gz LNUMQKZLWJFGPW-DZFGPLHGSA-N 1 0 395.555 2.572 20 0 GFADRO c1cncc(COC[C@@H]2C[N@H+](CC3CC3)C[C@]23CCN(c2cnccn2)C3)c1 ZINC001164755805 720866658 /nfs/dbraw/zinc/86/66/58/720866658.db2.gz YXLNJXYIRZOBGK-UNMCSNQZSA-N 1 0 379.508 2.627 20 0 GFADRO COC(=O)c1cc(F)cnc1N1CCn2c(C[N@H+](C)C(C)C)cnc2[C@H]1C ZINC001164863724 720926866 /nfs/dbraw/zinc/92/68/66/720926866.db2.gz YSYUOHNBQOJDEQ-CYBMUJFWSA-N 1 0 375.448 2.625 20 0 GFADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1nc(Cl)nc3c1ncn3C)[C@H]2C ZINC001164857051 720947803 /nfs/dbraw/zinc/94/78/03/720947803.db2.gz GDIVSWHEBUBSON-LBPRGKRZSA-N 1 0 388.907 2.635 20 0 GFADRO C[NH+](C)CCNC(=O)c1noc2c1CN(c1nccc3ccc(Cl)cc31)CC2 ZINC001164752218 720951346 /nfs/dbraw/zinc/95/13/46/720951346.db2.gz WRDYXZWTBYCDRS-UHFFFAOYSA-N 1 0 399.882 2.730 20 0 GFADRO Cc1cccc(CN2C(=O)C[C@H]3[C@@H]2CCN3c2ncccc2C[NH+]2CCCC2)n1 ZINC001164774036 721056320 /nfs/dbraw/zinc/05/63/20/721056320.db2.gz UFKPBAKAMDYSOI-SFTDATJTSA-N 1 0 391.519 2.761 20 0 GFADRO Clc1nnc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)c2ncccc12 ZINC001164867499 721090086 /nfs/dbraw/zinc/09/00/86/721090086.db2.gz YNMGDSQOGCTJCB-JKSUJKDBSA-N 1 0 396.882 2.553 20 0 GFADRO FC(F)(c1cnnc(Cl)c1)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164862764 721090133 /nfs/dbraw/zinc/09/01/33/721090133.db2.gz AETDZANSHNRGFM-HZPDHXFCSA-N 1 0 395.841 2.550 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4ncnc5cc(Cl)ccc54)C[C@H]3C2)cn1 ZINC001164762224 721109165 /nfs/dbraw/zinc/10/91/65/721109165.db2.gz COXMTPOKXLHDPW-JKSUJKDBSA-N 1 0 382.899 2.975 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4cnc5ccc(Cl)cc5n4)C[C@H]3C2)cn1 ZINC001164768153 721118559 /nfs/dbraw/zinc/11/85/59/721118559.db2.gz NLPLNOUFPJPKAW-JKSUJKDBSA-N 1 0 382.899 2.975 20 0 GFADRO c1cncc(CO[C@H]2C[C@@H]3CN(c4nccc5c6c([nH]c54)CCC6)CC[N@@H+]3C2)c1 ZINC001164880670 721183186 /nfs/dbraw/zinc/18/31/86/721183186.db2.gz WVODXTGULYRAJK-MSOLQXFVSA-N 1 0 389.503 2.926 20 0 GFADRO COc1ccc2nc(N3C[C@@H]4CC[N@H+](Cc5cnn(C)c5)C[C@H]4C3)c(C)nc2c1 ZINC001164761431 721214613 /nfs/dbraw/zinc/21/46/13/721214613.db2.gz AZSYHEHUFJRHBI-ROUUACIJSA-N 1 0 392.507 2.639 20 0 GFADRO Cc1csc2nc(C)nc(N3C[C@@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@@H]4C3)c12 ZINC001164770128 721217737 /nfs/dbraw/zinc/21/77/37/721217737.db2.gz NMKYSBOKKWXZGA-DLBZAZTESA-N 1 0 382.537 3.000 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(C(F)(F)Oc4ccnc(Cl)c4)C[C@@H]3C2)cn1 ZINC001164760780 721237419 /nfs/dbraw/zinc/23/74/19/721237419.db2.gz GSSOCLNSRAKEHP-GJZGRUSLSA-N 1 0 397.857 2.852 20 0 GFADRO Cc1cc(N2CC3(C2)CC[N@H+](CC2CC2)C3)nc(NC(=O)c2ccccc2)n1 ZINC001164775081 721301592 /nfs/dbraw/zinc/30/15/92/721301592.db2.gz OOUOHVYFVQLYGC-UHFFFAOYSA-N 1 0 377.492 2.959 20 0 GFADRO C[NH+](C)Cc1ccnc(N2CCC3(C[C@@H](Oc4ncccc4F)CO3)CC2)c1 ZINC001164777046 721326932 /nfs/dbraw/zinc/32/69/32/721326932.db2.gz KYRUJHHUJIYISQ-QGZVFWFLSA-N 1 0 386.471 2.884 20 0 GFADRO Cc1ccc(Cl)nc1N1CC[C@]2(C1)CCC[C@@H](C[NH+]1CCN(C)CC1)O2 ZINC001164894532 721380938 /nfs/dbraw/zinc/38/09/38/721380938.db2.gz YVBZWSUYPPKXFT-PXNSSMCTSA-N 1 0 378.948 2.809 20 0 GFADRO Cc1cc(Cl)cc(N2CC[C@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)n1 ZINC001164886818 721384290 /nfs/dbraw/zinc/38/42/90/721384290.db2.gz GMBZWYKYXITSEW-QUCCMNQESA-N 1 0 378.948 2.809 20 0 GFADRO COc1ccc(Cl)nc1N1CC[C@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2 ZINC001164888337 721417109 /nfs/dbraw/zinc/41/71/09/721417109.db2.gz OHTJVXWTUQMFBK-UZLBHIALSA-N 1 0 394.947 2.509 20 0 GFADRO Cc1cc2cccnc2c(N2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)n1 ZINC001164899913 721443396 /nfs/dbraw/zinc/44/33/96/721443396.db2.gz ZNSZNQCDJQVMTC-NFBKMPQASA-N 1 0 395.551 2.704 20 0 GFADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4cc(C5CCC5)ncn4)C3)O2)CC1 ZINC001164893706 721444185 /nfs/dbraw/zinc/44/41/85/721444185.db2.gz KAAPHYBCDXSROV-KNQAVFIVSA-N 1 0 385.556 2.510 20 0 GFADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(C)cc(C)n1)CC2 ZINC001164789403 721450042 /nfs/dbraw/zinc/45/00/42/721450042.db2.gz VJEAOCHXBOBSKA-HXUWFJFHSA-N 1 0 388.556 2.827 20 0 GFADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cncnc1Cl)CC2 ZINC001164785268 721453170 /nfs/dbraw/zinc/45/31/70/721453170.db2.gz HZHKFHOPDNHFRP-KRWDZBQOSA-N 1 0 394.947 2.864 20 0 GFADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nnc(C)cc1C)CC2 ZINC001164790419 721455709 /nfs/dbraw/zinc/45/57/09/721455709.db2.gz YWFCTLQCNSHNRL-FQEVSTJZSA-N 1 0 388.556 2.827 20 0 GFADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3O[C@@H](C(=O)NCC4CC4)C[C@@H]32)nc1 ZINC001164893278 721459536 /nfs/dbraw/zinc/45/95/36/721459536.db2.gz YXXSVRRXJXTHDH-IVAOSVALSA-N 1 0 398.551 2.891 20 0 GFADRO COc1nc(Cl)nc(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)n1 ZINC001164792444 721492393 /nfs/dbraw/zinc/49/23/93/721492393.db2.gz ORXULTALJTUOHR-UHFFFAOYSA-N 1 0 388.903 2.810 20 0 GFADRO COC(=O)c1cc(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)ncc1N ZINC001164791385 721493413 /nfs/dbraw/zinc/49/34/13/721493413.db2.gz CFTBLKBYUBZBAU-UHFFFAOYSA-N 1 0 395.507 2.726 20 0 GFADRO CCOC(=O)Cc1cccnc1N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164900151 721517597 /nfs/dbraw/zinc/51/75/97/721517597.db2.gz OPEBOQTUCFXRKL-UYAOXDASSA-N 1 0 399.466 2.668 20 0 GFADRO CSc1nc(C)cc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)n1 ZINC001164795163 721524695 /nfs/dbraw/zinc/52/46/95/721524695.db2.gz KPGVUZOTWFJVHN-ZIFCJYIRSA-N 1 0 385.537 2.770 20 0 GFADRO COC(=O)c1ccc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)nc1C ZINC001164902875 721528703 /nfs/dbraw/zinc/52/87/03/721528703.db2.gz BMWZEGZDZILOPO-WMZOPIPTSA-N 1 0 385.439 2.658 20 0 GFADRO Cc1nc2[nH]ccc2c(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)n1 ZINC001164805996 721537861 /nfs/dbraw/zinc/53/78/61/721537861.db2.gz NEXRIGMYADIIAQ-FHWLQOOXSA-N 1 0 378.480 2.530 20 0 GFADRO Fc1cccc(O[C@@H]2C[C@@H]3CN(c4cc(OCC5CC5)ncn4)CC[N@@H+]3C2)c1 ZINC001164907773 721540797 /nfs/dbraw/zinc/54/07/97/721540797.db2.gz OKUZWPAJXXOXLZ-IEBWSBKVSA-N 1 0 384.455 2.746 20 0 GFADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cc(Cl)nc3nc[nH]c32)[C@@H]2CCCO[C@@H]12 ZINC001164808398 721550213 /nfs/dbraw/zinc/55/02/13/721550213.db2.gz RWMHWYZXRHPYJB-IDHHARJASA-N 1 0 398.898 2.875 20 0 GFADRO Fc1cccc(O[C@@H]2C[C@H]3CN(c4ncnc5c4ncn5C4CC4)CC[N@@H+]3C2)c1 ZINC001164903486 721554879 /nfs/dbraw/zinc/55/48/79/721554879.db2.gz BMNVJYQYGNQCLO-FUHWJXTLSA-N 1 0 394.454 2.642 20 0 GFADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2ncc3cc(Cl)ccc3n2)CC1 ZINC001165010192 721739048 /nfs/dbraw/zinc/73/90/48/721739048.db2.gz FVTWNOUCFDSHGM-UHFFFAOYSA-N 1 0 387.915 2.806 20 0 GFADRO CC[C@@H](C)c1nc2[nH]ccc2c(N2CCCC23CC[NH+](CC(=O)N(C)C)CC3)n1 ZINC001165012955 721750805 /nfs/dbraw/zinc/75/08/05/721750805.db2.gz RSIRDWABBNYCJX-MRXNPFEDSA-N 1 0 398.555 2.994 20 0 GFADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc(Cl)c(C(N)=O)n3)C[C@@H]21 ZINC001165026905 721803230 /nfs/dbraw/zinc/80/32/30/721803230.db2.gz SDWHSWYXIKBQCN-QILLFSRXSA-N 1 0 399.926 2.966 20 0 GFADRO COc1cc(OC)nc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)n1 ZINC001165025008 721805467 /nfs/dbraw/zinc/80/54/67/721805467.db2.gz NBPSRSDWOUMXBR-CGTJXYLNSA-N 1 0 383.496 2.626 20 0 GFADRO CCOC(=O)c1cnc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)cn1 ZINC001165025588 721810302 /nfs/dbraw/zinc/81/03/02/721810302.db2.gz NYAYEVWMWUEXKA-XKGZKEIXSA-N 1 0 395.507 2.785 20 0 GFADRO CNC(=O)c1ccnc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001165024173 721819109 /nfs/dbraw/zinc/81/91/09/721819109.db2.gz JLNRWMQMINAWJZ-YSIASYRMSA-N 1 0 379.508 2.573 20 0 GFADRO CCn1cnc2c1ncnc2N1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165029702 721824302 /nfs/dbraw/zinc/82/43/02/721824302.db2.gz XMXKZOFBCDIENY-QXAKKESOSA-N 1 0 391.523 2.978 20 0 GFADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc(NC(N)=S)cn3)C[C@H]21 ZINC001165025292 721828389 /nfs/dbraw/zinc/82/83/89/721828389.db2.gz MPTNVTAIKQNMLP-KFKAGJAMSA-N 1 0 396.564 2.869 20 0 GFADRO C[N@H+](Cc1ccc(N2C[C@H]3COC[C@@]3(COCc3ccccn3)C2)nc1)C1CC1 ZINC001164926819 721840125 /nfs/dbraw/zinc/84/01/25/721840125.db2.gz SFZDHFBNJIRYOO-WMZHIEFXSA-N 1 0 394.519 2.740 20 0 GFADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2nc(C)ccc2C(N)=O)CC1 ZINC001165022753 721843411 /nfs/dbraw/zinc/84/34/11/721843411.db2.gz UAJUACKETQCTDR-UHFFFAOYSA-N 1 0 398.507 2.607 20 0 GFADRO C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2c1nccnc1C1SCCCS1 ZINC001164926077 721857258 /nfs/dbraw/zinc/85/72/58/721857258.db2.gz HBDDIRFIJXXLOF-HUUCEWRRSA-N 1 0 379.599 2.560 20 0 GFADRO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2c1nccc(-c2c[nH]c3ccccc23)n1 ZINC001164931795 721861774 /nfs/dbraw/zinc/86/17/74/721861774.db2.gz WFGOGZZREKDTFM-LEWJYISDSA-N 1 0 376.508 2.840 20 0 GFADRO COc1ccc2nc(Cl)cc(N3CC[C@@H]4[C@H]3CC[N@@H+]4CCN(C)C)c2n1 ZINC001164925327 721866027 /nfs/dbraw/zinc/86/60/27/721866027.db2.gz NVUZBISHOUNZLJ-HUUCEWRRSA-N 1 0 375.904 2.506 20 0 GFADRO CN(C)CC[N@@H+]1CC[C@H]2[C@H]1CCN2c1nc(Cl)nc2c(Cl)nccc21 ZINC001164928598 721877076 /nfs/dbraw/zinc/87/70/76/721877076.db2.gz ZALZCLKRFHKTCL-OLZOCXBDSA-N 1 0 381.311 2.546 20 0 GFADRO C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2c1ccc(C(=O)OCc2ccccc2)cn1 ZINC001164930561 721882105 /nfs/dbraw/zinc/88/21/05/721882105.db2.gz DFAMLWCOVLBAGG-RTWAWAEBSA-N 1 0 394.519 2.653 20 0 GFADRO c1ccc(-c2nc3ccccc3c(N3CC[NH+](C[C@@H]4CCCO4)CC3)n2)nc1 ZINC001165036491 721917990 /nfs/dbraw/zinc/91/79/90/721917990.db2.gz DEBKKQNHLRSHLE-KRWDZBQOSA-N 1 0 375.476 2.993 20 0 GFADRO CCOC(=O)[C@H]1CCc2nnc(N3CCCC[C@@H]3CC[NH+]3CCCC3)cc2C1 ZINC001165049869 721978966 /nfs/dbraw/zinc/97/89/66/721978966.db2.gz NCUBPRLYDCNPDT-PKOBYXMFSA-N 1 0 386.540 2.989 20 0 GFADRO CC[NH+](CC)C1CCN(c2ccc(S(=O)(=O)NC(C)(C)CC)cn2)CC1 ZINC001165054651 722006041 /nfs/dbraw/zinc/00/60/41/722006041.db2.gz VXUIAGNZBYCNPO-UHFFFAOYSA-N 1 0 382.574 2.859 20 0 GFADRO COC(=O)c1cc2ccccc2c(N2CC[NH+](CCc3ccccn3)CC2)n1 ZINC001165055650 722018299 /nfs/dbraw/zinc/01/82/99/722018299.db2.gz RXSPAEILUDDSJS-UHFFFAOYSA-N 1 0 376.460 2.781 20 0 GFADRO C[N@H+](Cc1ccc(N2CC[C@]3(C[C@H]3C(=O)NCc3cccnc3)C2)nc1)C1CC1 ZINC001164959767 722034956 /nfs/dbraw/zinc/03/49/56/722034956.db2.gz RQRUGYAJNLRWBO-REWPJTCUSA-N 1 0 391.519 2.604 20 0 GFADRO O=C(NCc1cccnc1)[C@H]1C[C@]12CCN(c1ncccc1C[NH+]1CCCC1)C2 ZINC001164955939 722035098 /nfs/dbraw/zinc/03/50/98/722035098.db2.gz ACNLHLLFNPPUNI-OFNKIYASSA-N 1 0 391.519 2.605 20 0 GFADRO c1ccc2nc(N3CCC4(CC3)COCC[N@@H+](Cc3ccncc3)C4)nnc2c1 ZINC001164962451 722060166 /nfs/dbraw/zinc/06/01/66/722060166.db2.gz SCNSHYHARKIZSH-UHFFFAOYSA-N 1 0 390.491 2.539 20 0 GFADRO CN(C)C(=O)N[C@@H]1c2ccccc2[C@H]2CN(c3cc(C[NH+](C)C)ccn3)C[C@@H]21 ZINC001164976337 722098155 /nfs/dbraw/zinc/09/81/55/722098155.db2.gz CPRFTPXAMSFURZ-SVFBPWRDSA-N 1 0 379.508 2.689 20 0 GFADRO c1cc2ncnc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)c2s1 ZINC001164986602 722100550 /nfs/dbraw/zinc/10/05/50/722100550.db2.gz ZKTJWGJLJJGWQX-WMZOPIPTSA-N 1 0 381.505 2.814 20 0 GFADRO Clc1cc(Cl)c(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)nn1 ZINC001164984693 722102499 /nfs/dbraw/zinc/10/24/99/722102499.db2.gz TYZMEFKGFSKBCJ-ZBFHGGJFSA-N 1 0 394.306 2.906 20 0 GFADRO Clc1cc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c2[nH]cnc2n1 ZINC001164971029 722113026 /nfs/dbraw/zinc/11/30/26/722113026.db2.gz BCNMQPGIJCJXIZ-DOTOQJQBSA-N 1 0 398.898 2.734 20 0 GFADRO COc1ccc(Cl)nc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164972474 722124025 /nfs/dbraw/zinc/12/40/25/722124025.db2.gz FRAGNFZVZNYHMN-WMZOPIPTSA-N 1 0 388.899 2.866 20 0 GFADRO c1cncc(C[N@@H+]2CCO[C@@H]3CN(c4nccc5cnccc54)CC[C@@H]3C2)c1 ZINC001164970994 722128754 /nfs/dbraw/zinc/12/87/54/722128754.db2.gz BAQZGPDKJFCVLO-TZIWHRDSSA-N 1 0 375.476 2.752 20 0 GFADRO COc1cnc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c(Cl)c1 ZINC001164980250 722129893 /nfs/dbraw/zinc/12/98/93/722129893.db2.gz MDQVDDJOWDSJJT-QFBILLFUSA-N 1 0 388.899 2.866 20 0 GFADRO Fc1ccc2nc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)ncc2c1 ZINC001164977954 722132614 /nfs/dbraw/zinc/13/26/14/722132614.db2.gz IUJDNNYNSDQARG-LAUBAEHRSA-N 1 0 393.466 2.891 20 0 GFADRO Nc1cc(F)c(Cl)nc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164981473 722133098 /nfs/dbraw/zinc/13/30/98/722133098.db2.gz OVGBYOAKGGUHHG-RHSMWYFYSA-N 1 0 391.878 2.579 20 0 GFADRO Cc1cccc2ncc(N3CCCn4cnc(COCC[NH+](C)C)c4C3)nc12 ZINC001165000992 722253096 /nfs/dbraw/zinc/25/30/96/722253096.db2.gz XVSUFFJYXVASGK-UHFFFAOYSA-N 1 0 380.496 2.623 20 0 GFADRO C[NH+](C)CCOCc1ncn2c1CN(c1nc(Cl)cc(C3CC3)n1)CCC2 ZINC001165001552 722253634 /nfs/dbraw/zinc/25/36/34/722253634.db2.gz BMOYGTVXURRSCL-UHFFFAOYSA-N 1 0 390.919 2.692 20 0 GFADRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)c1ccc(Br)cc1Br ZINC000389795164 563521712 /nfs/dbraw/zinc/52/17/12/563521712.db2.gz SWAVSDXIISFGMT-QPUJVOFHSA-N 1 0 376.092 2.939 20 0 GFADRO CCn1cc([C@@H]2NC(=O)CC[C@H]2[NH2+]Cc2cc(OC)c3c(c2)OCCO3)cn1 ZINC000328631165 206235692 /nfs/dbraw/zinc/23/56/92/206235692.db2.gz KDIIQGJIGQIHAO-BEFAXECRSA-N 1 0 386.452 2.633 20 0 GFADRO C[C@@H](CCO)C1(C[NH2+]C2CCN(S(=O)(=O)c3cccs3)CC2)CCC1 ZINC000359895346 206267681 /nfs/dbraw/zinc/26/76/81/206267681.db2.gz HQXDZLZNPPJUPS-HNNXBMFYSA-N 1 0 386.583 2.680 20 0 GFADRO Cn1cc(C[NH+]2CCC3(CCOC3=O)CC2)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000359885286 206267565 /nfs/dbraw/zinc/26/75/65/206267565.db2.gz ZIQNMSAZUBVBDU-UHFFFAOYSA-N 1 0 397.475 2.778 20 0 GFADRO CCS(=O)(=O)c1ccccc1N1CCC([NH2+]C2CCC(OC)CC2)CC1 ZINC000359960945 206273798 /nfs/dbraw/zinc/27/37/98/206273798.db2.gz QHJMLBNSOSXOHN-UHFFFAOYSA-N 1 0 380.554 2.996 20 0 GFADRO C[N@@H+]1CCCN(C(=O)[C@H]2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000097213276 208342405 /nfs/dbraw/zinc/34/24/05/208342405.db2.gz OMZNMRAFRSWFIK-MRXNPFEDSA-N 1 0 384.307 2.762 20 0 GFADRO C[NH2+]C[C@@H](C)C(=O)Nc1ccc(Br)c(I)c1 ZINC000237248553 553075821 /nfs/dbraw/zinc/07/58/21/553075821.db2.gz GOVXAIVRAITQDG-SSDOTTSWSA-N 1 0 397.054 2.848 20 0 GFADRO CCO[C@@H]1CN(S(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)C[C@H]1C[NH3+] ZINC000405697788 563539467 /nfs/dbraw/zinc/53/94/67/563539467.db2.gz PLSIELSXIFWTGO-PRHODGIISA-N 1 0 387.716 2.631 20 0 GFADRO C[C@@H]1OCC[C@]1(O)C[NH2+]Cc1cc(Cl)ccc1I ZINC000405804373 563539473 /nfs/dbraw/zinc/53/94/73/563539473.db2.gz SDRNZZTYVZKYIF-ZANVPECISA-N 1 0 381.641 2.574 20 0 GFADRO C[C@@H](CC(=O)N(C)C)[NH2+]Cc1cc(Cl)ccc1I ZINC000405753374 563539480 /nfs/dbraw/zinc/53/94/80/563539480.db2.gz DQPCXCOIFZVSRI-VIFPVBQESA-N 1 0 380.657 2.901 20 0 GFADRO C[C@@H](C(=O)Nc1ccc(Br)cc1Br)N1CC[C@@H]([NH3+])C1 ZINC000430608587 563546844 /nfs/dbraw/zinc/54/68/44/563546844.db2.gz DSBSZSBNJHVEQE-WCBMZHEXSA-N 1 0 391.107 2.572 20 0 GFADRO CCS(=O)(=O)CCC[NH2+][C@@H](C)c1ccc(I)cc1 ZINC000414333508 563727880 /nfs/dbraw/zinc/72/78/80/563727880.db2.gz FSSCLQKVJRBDLR-NSHDSACASA-N 1 0 381.279 2.767 20 0 GFADRO CSCCC[N@H+](C)CC(=O)N(C)CCOc1ccc(Br)cc1 ZINC000439476682 563726651 /nfs/dbraw/zinc/72/66/51/563726651.db2.gz ZQLSYIDLJAZJQD-UHFFFAOYSA-N 1 0 389.359 2.971 20 0 GFADRO CC(C)[N@H+](C)C[C@@H](C)NC(=O)c1ccc(F)cc1I ZINC000290938056 563727111 /nfs/dbraw/zinc/72/71/11/563727111.db2.gz NXJVCKUUEGJNOP-SNVBAGLBSA-N 1 0 378.229 2.889 20 0 GFADRO CNS(=O)(=O)CCC[NH+]1CCC(C)(c2ccc(Br)cc2)CC1 ZINC000440490807 563742889 /nfs/dbraw/zinc/74/28/89/563742889.db2.gz RJPFYXYLHUJHAX-UHFFFAOYSA-N 1 0 389.359 2.742 20 0 GFADRO Cc1ccc(Br)cc1S(=O)(=O)NCC[NH+]1CCCCCC1 ZINC000040433087 551134561 /nfs/dbraw/zinc/13/45/61/551134561.db2.gz OPFFOQZODDWFDB-UHFFFAOYSA-N 1 0 375.332 2.912 20 0 GFADRO CCC[NH+]1CCC(N(C)S(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000040446532 551134628 /nfs/dbraw/zinc/13/46/28/551134628.db2.gz GNCLTNLEYGAZKN-UHFFFAOYSA-N 1 0 375.332 2.944 20 0 GFADRO CC(C)[C@H](CNC(=O)c1cc(Br)ccc1F)[NH+]1CCN(C)CC1 ZINC000042578066 551139495 /nfs/dbraw/zinc/13/94/95/551139495.db2.gz HUURNAVZALGXNI-INIZCTEOSA-N 1 0 386.309 2.590 20 0 GFADRO CC(C)[C@H](CNC(=O)c1ccc(Br)cc1F)[NH+]1CCN(C)CC1 ZINC000042580236 551139591 /nfs/dbraw/zinc/13/95/91/551139591.db2.gz RUDXVUOKTUBZMH-INIZCTEOSA-N 1 0 386.309 2.590 20 0 GFADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)N(C)Cc2ccc(Br)o2)C1 ZINC000043821110 551142549 /nfs/dbraw/zinc/14/25/49/551142549.db2.gz GFUQDPMACFGCLE-AWEZNQCLSA-N 1 0 388.306 2.540 20 0 GFADRO CC(C)C(=O)Nc1nc(CC(=O)NC[C@H](c2cccs2)[NH+](C)C)cs1 ZINC000044311498 551144219 /nfs/dbraw/zinc/14/42/19/551144219.db2.gz WNXJRFKTNIQFBN-CYBMUJFWSA-N 1 0 380.539 2.761 20 0 GFADRO CC(=O)NCC1CC[NH+](C[C@@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000047773387 551153834 /nfs/dbraw/zinc/15/38/34/551153834.db2.gz SMJDZLXSUVXCKZ-CQSZACIVSA-N 1 0 375.296 2.581 20 0 GFADRO COCCC[N@H+](C)[C@H](C)C(=O)Nc1ccc(I)cc1 ZINC000049331887 551158489 /nfs/dbraw/zinc/15/84/89/551158489.db2.gz PWMCKPBOWHZIMZ-LLVKDONJSA-N 1 0 376.238 2.587 20 0 GFADRO C[NH+](C)C[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1Br ZINC000055295443 551172661 /nfs/dbraw/zinc/17/26/61/551172661.db2.gz ILHXWLJSMYXSLP-OAHLLOKOSA-N 1 0 397.338 2.900 20 0 GFADRO CC(=O)CSc1nc2sc3c(c2c(=O)n1CCC[NH+](C)C)CCCC3 ZINC000057532545 551180720 /nfs/dbraw/zinc/18/07/20/551180720.db2.gz HMNPKSNPKRNAPU-UHFFFAOYSA-N 1 0 379.551 2.970 20 0 GFADRO CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2c(C)cc(Br)cc2C)C1 ZINC000067393775 551188294 /nfs/dbraw/zinc/18/82/94/551188294.db2.gz QFLULJFDQFSNMI-AWEZNQCLSA-N 1 0 396.329 2.853 20 0 GFADRO Cc1cc(S(=O)(=O)NCC2([NH+](C)C)CCCC2)ccc1Br ZINC000097173670 551196099 /nfs/dbraw/zinc/19/60/99/551196099.db2.gz OISFMCDJFXWBTP-UHFFFAOYSA-N 1 0 375.332 2.910 20 0 GFADRO CC[N@@H+]1CCCC[C@@H]1C(=O)NCCc1ccc(I)s1 ZINC000104386120 551198559 /nfs/dbraw/zinc/19/85/59/551198559.db2.gz BTWCGHSKKOWMRW-GFCCVEGCSA-N 1 0 392.306 2.886 20 0 GFADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)N(C)[C@H](C)c1ccccc1Br ZINC000106583358 551200689 /nfs/dbraw/zinc/20/06/89/551200689.db2.gz BLVQSDUWMZEZQH-HUUCEWRRSA-N 1 0 397.361 2.787 20 0 GFADRO COc1ccccc1N1CC[C@@H]([NH2+][C@H](C)Cn2cc(Br)cn2)C1 ZINC000119670931 551218348 /nfs/dbraw/zinc/21/83/48/551218348.db2.gz OSZYXTNRNWIWCT-UKRRQHHQSA-N 1 0 379.302 2.911 20 0 GFADRO Cc1cc(NC(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)ccc1Br ZINC000120370162 551220664 /nfs/dbraw/zinc/22/06/64/551220664.db2.gz RENVTZRBJORTJY-XJKSGUPXSA-N 1 0 394.313 2.639 20 0 GFADRO CC[NH+](CC)CCC[C@H](C)NC(=O)CCn1cc(Br)ccc1=O ZINC000120412984 551220954 /nfs/dbraw/zinc/22/09/54/551220954.db2.gz AKXNQCLUBJJGTM-AWEZNQCLSA-N 1 0 386.334 2.628 20 0 GFADRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NCCOc1ccc(Br)cc1 ZINC000120413763 551221107 /nfs/dbraw/zinc/22/11/07/551221107.db2.gz FDMHYTPMDPMQKS-CJNGLKHVSA-N 1 0 384.318 2.810 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)c2ccc(Br)cc2-n2cncn2)C1 ZINC000120932989 551223354 /nfs/dbraw/zinc/22/33/54/551223354.db2.gz CIEOBEKBWWDSBC-UONOGXRCSA-N 1 0 392.301 2.632 20 0 GFADRO CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2cccc(C)c2Br)C1 ZINC000120980203 551224334 /nfs/dbraw/zinc/22/43/34/551224334.db2.gz HGQWGQQZIXCBST-CYBMUJFWSA-N 1 0 382.302 2.544 20 0 GFADRO Cc1cccc(NC(=O)C(=O)N2CCC[N@@H+](C(C)C)CC2)c1Br ZINC000121006676 551225166 /nfs/dbraw/zinc/22/51/66/551225166.db2.gz OFEILNAHVZGIJA-UHFFFAOYSA-N 1 0 382.302 2.639 20 0 GFADRO C[NH2+]CCCNC(=O)c1ccc(NC(=O)c2ccc(Br)o2)cc1 ZINC000121066281 551226214 /nfs/dbraw/zinc/22/62/14/551226214.db2.gz KKAOHPYXPUOPBJ-UHFFFAOYSA-N 1 0 380.242 2.634 20 0 GFADRO C[N@H+](Cc1ccc(Br)cc1Cl)C1CCN(S(C)(=O)=O)CC1 ZINC000121628235 551238903 /nfs/dbraw/zinc/23/89/03/551238903.db2.gz XNFHBEXMJWPIDF-UHFFFAOYSA-N 1 0 395.750 2.958 20 0 GFADRO CC[N@@H+]1CC[C@@H](CNC(=O)c2cn(-c3ccc(Br)cc3)cn2)C1 ZINC000121696899 551239973 /nfs/dbraw/zinc/23/99/73/551239973.db2.gz LYKZYJBJEYNDAX-ZDUSSCGKSA-N 1 0 377.286 2.706 20 0 GFADRO Cc1ccc(NC(=O)C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)cc1Br ZINC000122090083 551294661 /nfs/dbraw/zinc/29/46/61/551294661.db2.gz JSHIOHVJAFRDCH-CZUORRHYSA-N 1 0 394.313 2.639 20 0 GFADRO COc1cc(C[NH2+]CCNS(=O)(=O)c2cccs2)ccc1OC(C)C ZINC000122255972 551296524 /nfs/dbraw/zinc/29/65/24/551296524.db2.gz HQQNDRYNXJZURZ-UHFFFAOYSA-N 1 0 384.523 2.612 20 0 GFADRO C[N@H+](CCN1C(=O)NC2(CCCC2)C1=O)Cc1cc(Br)cs1 ZINC000122807576 551302235 /nfs/dbraw/zinc/30/22/35/551302235.db2.gz UTKUDEIUZUTFHP-UHFFFAOYSA-N 1 0 386.315 2.807 20 0 GFADRO Cc1cc(C)c(Br)c(C(=O)N(C)CCCN2CC[NH+](C)CC2)c1 ZINC000123605961 551307537 /nfs/dbraw/zinc/30/75/37/551307537.db2.gz GYJMASYGXQKCMH-UHFFFAOYSA-N 1 0 382.346 2.775 20 0 GFADRO COCc1c(Br)cccc1NC(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000123633077 551307605 /nfs/dbraw/zinc/30/76/05/551307605.db2.gz XALFAJDWTXQLAI-UHFFFAOYSA-N 1 0 396.289 2.998 20 0 GFADRO COc1cc(Br)c(S(=O)(=O)N[C@@H]2CCC[C@H]([NH3+])C2)cc1Cl ZINC000124908044 551319197 /nfs/dbraw/zinc/31/91/97/551319197.db2.gz SLQNNCUFESEZAN-DTWKUNHWSA-N 1 0 397.722 2.659 20 0 GFADRO O=C1C[C@@H]([C@H]2CCCC[N@H+]2Cc2nnc(-c3ccc(Br)o3)o2)CN1 ZINC000125721788 551323439 /nfs/dbraw/zinc/32/34/39/551323439.db2.gz XGKROLIABPQMDQ-GHMZBOCLSA-N 1 0 395.257 2.583 20 0 GFADRO COC(=O)C1CCN(C(=O)[C@H](C)[N@H+](C)Cc2ccc(Br)cc2)CC1 ZINC000126100597 551325905 /nfs/dbraw/zinc/32/59/05/551325905.db2.gz BGNJYWHBAYVMJW-ZDUSSCGKSA-N 1 0 397.313 2.681 20 0 GFADRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C[C@H]1Sc2ccc(Cl)cc2NC1=O ZINC000126188494 551326993 /nfs/dbraw/zinc/32/69/93/551326993.db2.gz JZEVZPKMNATBEL-DIOULYMOSA-N 1 0 381.929 2.942 20 0 GFADRO Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)c1cc(C(N)=O)cs1 ZINC000126455092 551330381 /nfs/dbraw/zinc/33/03/81/551330381.db2.gz JYBCYBWNBNQPDU-UHFFFAOYSA-N 1 0 375.519 2.957 20 0 GFADRO Cc1ccc(Br)c(S(=O)(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c1 ZINC000128334145 551348988 /nfs/dbraw/zinc/34/89/88/551348988.db2.gz COIJHOXFSYXYQN-UKRRQHHQSA-N 1 0 387.343 2.862 20 0 GFADRO C[C@H](CC[NH2+]Cc1cc(Br)c2c(c1)OCCCO2)[S@@](C)=O ZINC000129335582 551356121 /nfs/dbraw/zinc/35/61/21/551356121.db2.gz GRFRRJCUHJCQIY-FIKIJFGZSA-N 1 0 376.316 2.857 20 0 GFADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(Cl)cc(Br)c1 ZINC000129445521 551357675 /nfs/dbraw/zinc/35/76/75/551357675.db2.gz CFILIEPYEUZONW-CQSZACIVSA-N 1 0 375.694 2.943 20 0 GFADRO Cc1ccc(Br)c(NC(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)c1 ZINC000130076233 551362040 /nfs/dbraw/zinc/36/20/40/551362040.db2.gz DZRQHDIMJZTDAO-AWEZNQCLSA-N 1 0 383.334 2.763 20 0 GFADRO C[C@@H](CNC(=O)c1ccc(S(=O)(=O)c2ccccc2)s1)[N@H+](C)C1CC1 ZINC000130345179 551363646 /nfs/dbraw/zinc/36/36/46/551363646.db2.gz IPVBSLOIEOVXBU-ZDUSSCGKSA-N 1 0 378.519 2.793 20 0 GFADRO CCC(=O)N[C@H]1CCC[N@H+](C[C@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000130500818 551365448 /nfs/dbraw/zinc/36/54/48/551365448.db2.gz CPRJWNYUAPYCJF-STQMWFEESA-N 1 0 375.296 2.724 20 0 GFADRO OC[C@H]1CCC[N@@H+]1Cc1coc(-c2ccc(I)cc2)n1 ZINC000130734736 551368984 /nfs/dbraw/zinc/36/89/84/551368984.db2.gz BPUCLPZYMMAKLH-CQSZACIVSA-N 1 0 384.217 2.903 20 0 GFADRO OC[C@@H]1CCC[N@@H+]1Cc1coc(-c2ccc(I)cc2)n1 ZINC000131286459 551374020 /nfs/dbraw/zinc/37/40/20/551374020.db2.gz BPUCLPZYMMAKLH-AWEZNQCLSA-N 1 0 384.217 2.903 20 0 GFADRO CCN(CC)S(=O)(=O)CC[NH2+][C@H](C)c1ccc(Br)c(F)c1 ZINC000131492142 551374432 /nfs/dbraw/zinc/37/44/32/551374432.db2.gz OMBCXCDYADQUEE-LLVKDONJSA-N 1 0 381.311 2.910 20 0 GFADRO CCC[NH+]1CCC(CNS(=O)(=O)c2ccc(C(=O)OC)c(Cl)c2)CC1 ZINC000132855571 551379815 /nfs/dbraw/zinc/37/98/15/551379815.db2.gz DNCKUJGNEQRNSZ-UHFFFAOYSA-N 1 0 388.917 2.527 20 0 GFADRO C[C@H](NC(=O)C(=O)Nc1c(F)cccc1Br)C(C)(C)C[NH+](C)C ZINC000133154797 551382193 /nfs/dbraw/zinc/38/21/93/551382193.db2.gz RNIGOYHZITUXOP-JTQLQIEISA-N 1 0 388.281 2.619 20 0 GFADRO CC[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2ccc(Br)cc2F)C1 ZINC000134056022 551384683 /nfs/dbraw/zinc/38/46/83/551384683.db2.gz AXGUKMIFFNIULP-NSHDSACASA-N 1 0 379.295 2.598 20 0 GFADRO C[NH+](C)CCOc1cc(C(=O)NCc2ccc(Br)cc2)ccn1 ZINC000136679273 551389630 /nfs/dbraw/zinc/38/96/30/551389630.db2.gz KZEDLDBIISPYJO-UHFFFAOYSA-N 1 0 378.270 2.715 20 0 GFADRO Cc1csc(=O)n1CCC(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000145789591 551397032 /nfs/dbraw/zinc/39/70/32/551397032.db2.gz HFOAURKQQBLXFL-UHFFFAOYSA-N 1 0 379.551 2.698 20 0 GFADRO Cc1c(C(=O)NCCc2ccc(Cl)cc2Cl)nnn1C1CC[NH2+]CC1 ZINC000150689773 551399972 /nfs/dbraw/zinc/39/99/72/551399972.db2.gz ZLSBUPQKOFXIJD-UHFFFAOYSA-N 1 0 382.295 2.790 20 0 GFADRO CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)C1CC[NH2+]CC1 ZINC000150946965 551404337 /nfs/dbraw/zinc/40/43/37/551404337.db2.gz GMAKOGKAIMSWGB-UHFFFAOYSA-N 1 0 377.794 2.755 20 0 GFADRO CC(C)(C[NH3+])NC(=O)c1ccc(NC(=O)c2ccc(Br)o2)cc1 ZINC000151865567 551422406 /nfs/dbraw/zinc/42/24/06/551422406.db2.gz BWIYLVVNJYSCOM-UHFFFAOYSA-N 1 0 380.242 2.762 20 0 GFADRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+][C@@H](C)c2ccc([S@@](C)=O)cc2)cc1 ZINC000151909918 551423027 /nfs/dbraw/zinc/42/30/27/551423027.db2.gz KPUMAXAIDSNYLE-XACMVJRISA-N 1 0 380.535 2.744 20 0 GFADRO Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)[C@@H](C)N1CCSCC1 ZINC000151902760 551423059 /nfs/dbraw/zinc/42/30/59/551423059.db2.gz DOFIGAAKBBZTOY-MRXNPFEDSA-N 1 0 379.595 2.920 20 0 GFADRO CNC(=O)CN1CCC([NH2+][C@@H]2C[C@H](C)c3c2cccc3Br)CC1 ZINC000152003930 551424492 /nfs/dbraw/zinc/42/44/92/551424492.db2.gz BVBBRWWGYCLXLD-BLLLJJGKSA-N 1 0 380.330 2.797 20 0 GFADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000152082082 551425923 /nfs/dbraw/zinc/42/59/23/551425923.db2.gz KHQNGPXTVODYQW-HNNXBMFYSA-N 1 0 385.295 2.764 20 0 GFADRO CC[N@H+](CCNC(=O)Nc1ccc(NS(C)(=O)=O)c(Cl)c1)C(C)C ZINC000152166526 551427725 /nfs/dbraw/zinc/42/77/25/551427725.db2.gz GXMKKMDJULXCJU-UHFFFAOYSA-N 1 0 376.910 2.563 20 0 GFADRO O=C(CCOc1ccccc1Br)NCCCC[N@H+]1CCC[C@H]1CO ZINC000152165864 551427732 /nfs/dbraw/zinc/42/77/32/551427732.db2.gz DLUJYETVAZHZRP-HNNXBMFYSA-N 1 0 399.329 2.571 20 0 GFADRO OCCN(Cc1nnc(-c2ccccc2Br)o1)Cc1cccnc1 ZINC000152313439 551430162 /nfs/dbraw/zinc/43/01/62/551430162.db2.gz HSVPKJVOBDBTHI-UHFFFAOYSA-N 1 0 389.253 2.889 20 0 GFADRO CCc1nc2c(s1)[C@@H]([N@H+](C)Cc1nn3c(nc(C)cc3=O)s1)CCC2 ZINC000152518621 551434754 /nfs/dbraw/zinc/43/47/54/551434754.db2.gz CSKFOYOOXHICFY-LBPRGKRZSA-N 1 0 375.523 2.988 20 0 GFADRO C[NH+]1CCC(Oc2ccc(NC(=O)c3ccc(Br)cn3)cn2)CC1 ZINC000152961994 551443955 /nfs/dbraw/zinc/44/39/55/551443955.db2.gz IKTZYFFTCGMVHQ-UHFFFAOYSA-N 1 0 391.269 2.964 20 0 GFADRO C[C@H](CC(=O)NC[C@@H](O)COc1cccc(Cl)c1Cl)[C@@H]1CCC[NH2+]C1 ZINC000153261338 551449556 /nfs/dbraw/zinc/44/95/56/551449556.db2.gz MJYSSEVWKXRVKR-MGPQQGTHSA-N 1 0 389.323 2.875 20 0 GFADRO O=C(CSCC(F)(F)F)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000153371470 551451103 /nfs/dbraw/zinc/45/11/03/551451103.db2.gz OTHIWTLSIYXGDQ-UHFFFAOYSA-N 1 0 376.444 2.555 20 0 GFADRO C[C@@H](Cn1cc(Br)cn1)[NH2+]C[C@H](c1cccs1)N1CCOCC1 ZINC000153691631 551458438 /nfs/dbraw/zinc/45/84/38/551458438.db2.gz KACIVFWOBSTXNA-DZGCQCFKSA-N 1 0 399.358 2.759 20 0 GFADRO C[N@@H+]1CCC[C@H](CNC(=O)C(=O)Nc2ccc(C(F)(F)F)cc2Cl)C1 ZINC000153779965 551460570 /nfs/dbraw/zinc/46/05/70/551460570.db2.gz NRTVHJXPAIHVHS-SNVBAGLBSA-N 1 0 377.794 2.755 20 0 GFADRO Cc1cc(S(=O)(=O)Nc2cccc(CN3CC[NH+](C)CC3)c2)c(C)s1 ZINC000153945949 551463455 /nfs/dbraw/zinc/46/34/55/551463455.db2.gz JPUUFCZVTCQBBS-UHFFFAOYSA-N 1 0 379.551 2.913 20 0 GFADRO CCC[N@H+](CC)CCNC(=O)C(=O)Nc1ccc(Br)c(Cl)c1 ZINC000154258063 551471013 /nfs/dbraw/zinc/47/10/13/551471013.db2.gz AHXJIERIYZBSOV-UHFFFAOYSA-N 1 0 390.709 2.889 20 0 GFADRO Cc1ccc(Br)c(NC(=O)C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)c1 ZINC000154341335 551472983 /nfs/dbraw/zinc/47/29/83/551472983.db2.gz PBHRTRYAZDGHPU-QWHCGFSZSA-N 1 0 382.302 2.685 20 0 GFADRO Cc1ccc(S(=O)(=O)N2CCC([NH2+]C[C@H](O)c3ccsc3)CC2)cc1 ZINC000154464551 551475535 /nfs/dbraw/zinc/47/55/35/551475535.db2.gz GNQOGSKUBXSOPI-SFHVURJKSA-N 1 0 380.535 2.533 20 0 GFADRO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)Nc1ccc(Cl)c(Br)c1 ZINC000154506397 551476716 /nfs/dbraw/zinc/47/67/16/551476716.db2.gz LXSZHCISOUEUBV-SNVBAGLBSA-N 1 0 390.709 2.888 20 0 GFADRO COc1ccsc1S(=O)(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000154690684 551481051 /nfs/dbraw/zinc/48/10/51/551481051.db2.gz DWBUKSGWJMLGHS-UHFFFAOYSA-N 1 0 380.535 2.872 20 0 GFADRO CCOC(=O)[C@H](NC1CC[NH+](C)CC1)c1ccc(OC)c(Br)c1 ZINC000154750863 551482320 /nfs/dbraw/zinc/48/23/20/551482320.db2.gz QXPRCLKNDJJRFD-MRXNPFEDSA-N 1 0 385.302 2.746 20 0 GFADRO CCC[N@@H+]1CCCN(C(=O)C(=O)Nc2nc(-c3cccs3)cs2)CC1 ZINC000155054152 551489997 /nfs/dbraw/zinc/48/99/97/551489997.db2.gz HOMIHCICWLHZES-UHFFFAOYSA-N 1 0 378.523 2.754 20 0 GFADRO CC[NH+](CC)CCNC(=O)c1cc(F)c(F)cc1I ZINC000155114010 551491867 /nfs/dbraw/zinc/49/18/67/551491867.db2.gz DRMAUKNELRBPRJ-UHFFFAOYSA-N 1 0 382.192 2.641 20 0 GFADRO O=C(C[C@@H]1CCC[NH2+]1)N1CCC(C(=O)Nc2ccccc2Br)CC1 ZINC000155123826 551492202 /nfs/dbraw/zinc/49/22/02/551492202.db2.gz ZBPRGMJSIWETJK-AWEZNQCLSA-N 1 0 394.313 2.768 20 0 GFADRO CCS(=O)(=O)c1ccc(Cl)c(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c1 ZINC000155728591 551506232 /nfs/dbraw/zinc/50/62/32/551506232.db2.gz DAXDYJMXXOEUKJ-SUMWQHHRSA-N 1 0 384.929 2.690 20 0 GFADRO CC[NH+](CC)[C@@H]1CCN(S(=O)(=O)c2cccc(C)c2Br)C1 ZINC000156468057 551523617 /nfs/dbraw/zinc/52/36/17/551523617.db2.gz NIWOWAJYYGHUNK-CYBMUJFWSA-N 1 0 375.332 2.862 20 0 GFADRO O=C(NCCSCCOc1cccc(Br)c1)[C@H]1CCCC[NH2+]1 ZINC000157279622 551536032 /nfs/dbraw/zinc/53/60/32/551536032.db2.gz MAGTZVUVDCZUAF-OAHLLOKOSA-N 1 0 387.343 2.819 20 0 GFADRO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NCc1cc(Br)cs1 ZINC000157323216 551537106 /nfs/dbraw/zinc/53/71/06/551537106.db2.gz ONQYICBCEUCFOZ-AWEZNQCLSA-N 1 0 375.332 2.920 20 0 GFADRO CC[NH+](CC)Cc1ccccc1CNC(=O)c1cc(S(C)(=O)=O)cs1 ZINC000157602933 551539915 /nfs/dbraw/zinc/53/99/15/551539915.db2.gz RJLKCKUKPNBNQP-UHFFFAOYSA-N 1 0 380.535 2.923 20 0 GFADRO CCOCCOc1ccc(Br)cc1/C=C/C(=O)N1CCC([NH3+])CC1 ZINC000157636375 551540295 /nfs/dbraw/zinc/54/02/95/551540295.db2.gz PHCVIJMWNYUKQH-ZZXKWVIFSA-N 1 0 397.313 2.827 20 0 GFADRO O=C(NCC1(c2ccc(Br)cc2)CCOCC1)[C@@H]1CCC[NH2+]C1 ZINC000157714574 551541766 /nfs/dbraw/zinc/54/17/66/551541766.db2.gz JTSBSFGARZOCHH-CQSZACIVSA-N 1 0 381.314 2.613 20 0 GFADRO C[C@H](CNC(=O)Nc1ccc(F)cc1Br)C[NH+]1CCN(C)CC1 ZINC000157944491 551545249 /nfs/dbraw/zinc/54/52/49/551545249.db2.gz FGQMRQLYSHIYLR-GFCCVEGCSA-N 1 0 387.297 2.593 20 0 GFADRO C[NH+](C)C1CN(C(=O)[C@H]2CCCN(C(=O)c3ccc(Cl)c(Cl)c3)C2)C1 ZINC000158287559 551549935 /nfs/dbraw/zinc/54/99/35/551549935.db2.gz NVBJDUDBDNDQDU-ZDUSSCGKSA-N 1 0 384.307 2.618 20 0 GFADRO COCC[C@@H](Cc1cccc(Br)c1)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000158513489 551552785 /nfs/dbraw/zinc/55/27/85/551552785.db2.gz QADXIJJDMIOSLR-LPHOPBHVSA-N 1 0 395.341 2.856 20 0 GFADRO COCC[N@H+](C)CCCNC(=O)CSc1cccc(Br)c1 ZINC000158773325 551556675 /nfs/dbraw/zinc/55/66/75/551556675.db2.gz BWXCCRMHARNFQY-UHFFFAOYSA-N 1 0 375.332 2.626 20 0 GFADRO NC(=O)[C@H]([NH2+]CCN1CCc2ccccc2C1)c1cccc(Br)c1 ZINC000161889418 551599961 /nfs/dbraw/zinc/59/99/61/551599961.db2.gz HBISZTQEUWBMMK-GOSISDBHSA-N 1 0 388.309 2.623 20 0 GFADRO C[NH2+]CCC1CCN(S(=O)(=O)c2ccc(Br)cc2F)CC1 ZINC000161916306 551600375 /nfs/dbraw/zinc/60/03/75/551600375.db2.gz FUNGUHQQEGBXPD-UHFFFAOYSA-N 1 0 379.295 2.598 20 0 GFADRO Cc1cc(Br)cc(Cl)c1NC(=O)C(=O)N1CCC[N@@H+](C)CC1 ZINC000161960189 551601010 /nfs/dbraw/zinc/60/10/10/551601010.db2.gz DCXISJUNZVUAQC-UHFFFAOYSA-N 1 0 388.693 2.514 20 0 GFADRO C[C@@H](C[NH+]1CCCCC1)NS(=O)(=O)c1ccc(Br)cc1F ZINC000161992010 551601885 /nfs/dbraw/zinc/60/18/85/551601885.db2.gz IDJNFSVXUYBLPB-NSHDSACASA-N 1 0 379.295 2.741 20 0 GFADRO C[C@@H]1C[NH+](CCC2CCN(C(=O)C[C@@H]3CSCCS3)CC2)C[C@@H](C)O1 ZINC000162548613 551609568 /nfs/dbraw/zinc/60/95/68/551609568.db2.gz BHPNBHNUHGWIOU-JFIYKMOQSA-N 1 0 386.627 2.963 20 0 GFADRO C[C@H]([NH3+])[C@H]1CN(C(=O)C2(c3cccc(Br)c3)CCCC2)CCO1 ZINC000163063083 551615459 /nfs/dbraw/zinc/61/54/59/551615459.db2.gz JRZXNBUDGVHMAL-XJKSGUPXSA-N 1 0 381.314 2.836 20 0 GFADRO CCS(=O)(=O)CC[NH2+][C@H](CCCOC)c1ccc(Br)cc1 ZINC000163494499 551620011 /nfs/dbraw/zinc/62/00/11/551620011.db2.gz INIBUAFYYVJCFO-OAHLLOKOSA-N 1 0 378.332 2.941 20 0 GFADRO O=C(c1cn(-c2ccc(Br)cc2)cn1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000163947906 551622633 /nfs/dbraw/zinc/62/26/33/551622633.db2.gz FZBUHMHBGSTXAH-OKILXGFUSA-N 1 0 375.270 2.601 20 0 GFADRO C[C@@H](CC[NH2+]Cc1ncc(Br)cc1Br)[S@](C)=O ZINC000168621572 551634997 /nfs/dbraw/zinc/63/49/97/551634997.db2.gz YZPLPFLDNUZJSK-WNWIJWBNSA-N 1 0 384.137 2.853 20 0 GFADRO CN(Cc1ccccc1Br)C(=O)CN1CC[C@@H]([NH+]2CCCC2)C1 ZINC000170746405 551638479 /nfs/dbraw/zinc/63/84/79/551638479.db2.gz XAZTWHOHHSZZIX-MRXNPFEDSA-N 1 0 380.330 2.578 20 0 GFADRO Cc1cc(S(=O)(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)sc1Br ZINC000292001045 563769064 /nfs/dbraw/zinc/76/90/64/563769064.db2.gz LNSAXMAYNUYKFP-ZDUSSCGKSA-N 1 0 379.345 2.535 20 0 GFADRO CC[C@@H](C)[N@H+](C)CCNC(=O)NC[C@H](O)COc1cccc(Cl)c1Cl ZINC000171075655 551645813 /nfs/dbraw/zinc/64/58/13/551645813.db2.gz BNZYLIUYOHDOKD-OLZOCXBDSA-N 1 0 392.327 2.763 20 0 GFADRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)c1n[nH]c2ccc(Br)cc21 ZINC000171807818 551664114 /nfs/dbraw/zinc/66/41/14/551664114.db2.gz ACKLBLGYTYAXGS-ZDUSSCGKSA-N 1 0 395.301 2.508 20 0 GFADRO CCN(CC)S(=O)(=O)c1ccc(CC[NH2+]Cc2cnn(C(C)C)c2)s1 ZINC000171841456 551664936 /nfs/dbraw/zinc/66/49/36/551664936.db2.gz SDLAKWFUFDRRFN-UHFFFAOYSA-N 1 0 384.571 2.888 20 0 GFADRO C[C@@H](CN1CCCC1=O)[NH2+]Cc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000171840319 551664964 /nfs/dbraw/zinc/66/49/64/551664964.db2.gz DROHQLRDFDBTKR-LBPRGKRZSA-N 1 0 377.286 2.940 20 0 GFADRO NC(=O)[C@H]([NH2+]CCc1ccc2c(c1)CCO2)c1ccc(Br)cc1 ZINC000172014426 551669190 /nfs/dbraw/zinc/66/91/90/551669190.db2.gz AAHBGIRDIJXIQI-QGZVFWFLSA-N 1 0 375.266 2.743 20 0 GFADRO CC[N@@H+](CC(=O)N(C)Cc1cc(Br)cs1)C[C@H]1CCCO1 ZINC000172173550 551672672 /nfs/dbraw/zinc/67/26/72/551672672.db2.gz BAEXWLTUGQPEDI-CYBMUJFWSA-N 1 0 375.332 2.970 20 0 GFADRO O=C(NC1CC[NH+](Cc2cccnc2)CC1)c1cncc(Br)c1 ZINC000172245742 551674289 /nfs/dbraw/zinc/67/42/89/551674289.db2.gz RFBQGPLTHGPWHE-UHFFFAOYSA-N 1 0 375.270 2.634 20 0 GFADRO CS(=O)(=O)N1CCC[N@H+](CC/C=C/c2ccc(Br)cc2)CC1 ZINC000172243324 551674299 /nfs/dbraw/zinc/67/42/99/551674299.db2.gz HILUTMGYUDZTNH-GORDUTHDSA-N 1 0 387.343 2.820 20 0 GFADRO O=C(NCCC[NH+]1CCC(O)CC1)[C@H]1C[C@H]1c1ccc(Br)cc1 ZINC000172312862 551676216 /nfs/dbraw/zinc/67/62/16/551676216.db2.gz WKFTZGOTHKBJQE-IRXDYDNUSA-N 1 0 381.314 2.516 20 0 GFADRO CC[NH+]1CCN([C@H](C)CNC(=O)[C@@H](C)c2ccc(Br)s2)CC1 ZINC000173395474 552084965 /nfs/dbraw/zinc/08/49/65/552084965.db2.gz RYUIAGNYEMYFNC-OLZOCXBDSA-N 1 0 388.375 2.756 20 0 GFADRO CC[NH+]1CCN([C@@H](C)CNC(=O)c2cc(Br)cn2C(C)C)CC1 ZINC000173395093 552084990 /nfs/dbraw/zinc/08/49/90/552084990.db2.gz PESKDCBIKIZXML-AWEZNQCLSA-N 1 0 385.350 2.587 20 0 GFADRO CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2ccc(Br)c(C)c2)C1 ZINC000173643920 552089942 /nfs/dbraw/zinc/08/99/42/552089942.db2.gz OATOWESZSFKNNB-CQSZACIVSA-N 1 0 396.329 2.886 20 0 GFADRO CCC[N@H+](C)C[C@H]1CCN(S(=O)(=O)c2cccc(Br)c2)C1 ZINC000173953860 552095663 /nfs/dbraw/zinc/09/56/63/552095663.db2.gz QLQCJEABZZLEOU-CYBMUJFWSA-N 1 0 375.332 2.802 20 0 GFADRO CCC[N@H+](C)C[C@H]1CCN(S(=O)(=O)c2ccc(Br)cc2)C1 ZINC000173950272 552095898 /nfs/dbraw/zinc/09/58/98/552095898.db2.gz PJCNRVGMAVUOFI-CYBMUJFWSA-N 1 0 375.332 2.802 20 0 GFADRO C[C@H]([NH2+]CC1CCN(S(C)(=O)=O)CC1)c1ccc(Br)cc1 ZINC000174025758 552096895 /nfs/dbraw/zinc/09/68/95/552096895.db2.gz GPTPVOOBHYPHFE-LBPRGKRZSA-N 1 0 375.332 2.771 20 0 GFADRO COc1ccc(Br)cc1CNC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000174457922 552104430 /nfs/dbraw/zinc/10/44/30/552104430.db2.gz QBFSGZXMDMZXQG-OAHLLOKOSA-N 1 0 380.286 2.613 20 0 GFADRO CC(C)OC[C@@H](O)C[NH+]1CCN([C@H](C)c2ccc(Br)cc2)CC1 ZINC000174793695 552110425 /nfs/dbraw/zinc/11/04/25/552110425.db2.gz FPHKQMFHLCFKOU-QAPCUYQASA-N 1 0 385.346 2.914 20 0 GFADRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)NCCc1ccc(Br)cc1 ZINC000175029086 552114298 /nfs/dbraw/zinc/11/42/98/552114298.db2.gz LTHUTPHSKMLXPB-KRWDZBQOSA-N 1 0 398.345 2.744 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@H](NS(=O)(=O)c2cc(Br)ccc2F)C1 ZINC000175078787 552115232 /nfs/dbraw/zinc/11/52/32/552115232.db2.gz YJINTSXTCBYDLM-NWDGAFQWSA-N 1 0 379.295 2.739 20 0 GFADRO COc1cc(S(=O)(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)ccc1Br ZINC000175092700 552115726 /nfs/dbraw/zinc/11/57/26/552115726.db2.gz MUBNNNZWCXKFTO-RYUDHWBXSA-N 1 0 391.331 2.609 20 0 GFADRO COc1cc(S(=O)(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)ccc1Br ZINC000175092715 552115830 /nfs/dbraw/zinc/11/58/30/552115830.db2.gz MUBNNNZWCXKFTO-VXGBXAGGSA-N 1 0 391.331 2.609 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000175390435 552120584 /nfs/dbraw/zinc/12/05/84/552120584.db2.gz UROKLCSGWJLWLO-CQSZACIVSA-N 1 0 384.567 2.561 20 0 GFADRO C[C@@H](C[NH+]1CCCCC1)NC(=O)c1cc(=O)[nH]c2c(Br)cccc12 ZINC000175467031 552122105 /nfs/dbraw/zinc/12/21/05/552122105.db2.gz IGJVYLYRDKJAJD-LBPRGKRZSA-N 1 0 392.297 2.895 20 0 GFADRO Cc1cc(I)cnc1NC(=O)c1ccc2nccn2c1 ZINC000175761813 552128512 /nfs/dbraw/zinc/12/85/12/552128512.db2.gz RVLMJYPCLJCGSX-UHFFFAOYSA-N 1 0 378.173 2.895 20 0 GFADRO Cc1cc(=O)n2nc(C[N@@H+]3CCC[C@@H]3C[C@H](O)c3cccs3)sc2n1 ZINC000175814041 552129964 /nfs/dbraw/zinc/12/99/64/552129964.db2.gz KCCZYHDYGDSDKV-OLZOCXBDSA-N 1 0 376.507 2.609 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)NCc2cc3c(c(Br)c2)OCO3)C1 ZINC000175999338 552133829 /nfs/dbraw/zinc/13/38/29/552133829.db2.gz QKAPEZJMNMPCLI-CHWSQXEVSA-N 1 0 398.301 2.850 20 0 GFADRO C[C@H]1C[C@H](N(C)C(=O)Nc2cccc(S(=O)(=O)C(F)F)c2)CC[N@@H+]1C ZINC000175999230 552133879 /nfs/dbraw/zinc/13/38/79/552133879.db2.gz FXECTVDJUSYPKL-WCQYABFASA-N 1 0 375.441 2.629 20 0 GFADRO CC(C)OCC[NH+]1CCC(NC(=O)Cc2ccccc2Br)CC1 ZINC000176684262 552144327 /nfs/dbraw/zinc/14/43/27/552144327.db2.gz DANQHMWSFLDRJS-UHFFFAOYSA-N 1 0 383.330 2.997 20 0 GFADRO COc1nc(N2CCC[N@H+](Cc3ccccc3)CC2)ncc1Br ZINC000176814400 552146360 /nfs/dbraw/zinc/14/63/60/552146360.db2.gz PIHJDMOEZXPEGG-UHFFFAOYSA-N 1 0 377.286 2.960 20 0 GFADRO CC[C@H](C(=O)NCC1(c2cccc(Br)c2)CCOCC1)[NH+](C)C ZINC000177949966 552160981 /nfs/dbraw/zinc/16/09/81/552160981.db2.gz NSZFKOZEPPDGBQ-MRXNPFEDSA-N 1 0 383.330 2.954 20 0 GFADRO Cc1ccc(NC(=O)C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)cc1Br ZINC000178023929 552162516 /nfs/dbraw/zinc/16/25/16/552162516.db2.gz JNLUQLSXXUVUPC-TZMCWYRMSA-N 1 0 382.302 2.685 20 0 GFADRO C[C@H]([NH3+])c1ccc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2cccs2)cc1 ZINC000178188906 552166994 /nfs/dbraw/zinc/16/69/94/552166994.db2.gz JRZOFDWLDKSEOJ-SWLSCSKDSA-N 1 0 379.507 2.560 20 0 GFADRO C[C@H](Cn1cc(Br)cn1)[NH2+]CC(=O)Nc1ccc(F)c(F)c1F ZINC000178202252 552167016 /nfs/dbraw/zinc/16/70/16/552167016.db2.gz GJEOTNZQUXYYMH-MRVPVSSYSA-N 1 0 391.191 2.680 20 0 GFADRO O[C@H](CN1CC[NH+](CC2CCOCC2)CC1)c1ccccc1Br ZINC000178702943 552173683 /nfs/dbraw/zinc/17/36/83/552173683.db2.gz OHBYMXIGBCBBPI-GOSISDBHSA-N 1 0 383.330 2.527 20 0 GFADRO C[C@H](C(=O)Nc1cc(Cl)ccc1Cl)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000178823739 552176482 /nfs/dbraw/zinc/17/64/82/552176482.db2.gz JGOOPBDUPWHYMF-ZIAGYGMSSA-N 1 0 386.323 2.975 20 0 GFADRO CC1(C)COCCN1CCNS(=O)(=O)Cc1cc(Cl)cc(Cl)c1 ZINC000178868713 552177597 /nfs/dbraw/zinc/17/75/97/552177597.db2.gz DELOPGVWOBIEDV-UHFFFAOYSA-N 1 0 381.325 2.524 20 0 GFADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)Cc2cc(Br)ccc2F)C1 ZINC000178889284 552178680 /nfs/dbraw/zinc/17/86/80/552178680.db2.gz JVGVGGDHRPZBKK-HNNXBMFYSA-N 1 0 387.293 2.604 20 0 GFADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)Cc2ccc(Br)c(F)c2)C1 ZINC000178987113 552181322 /nfs/dbraw/zinc/18/13/22/552181322.db2.gz YTUVTBODAWWTBM-AWEZNQCLSA-N 1 0 387.293 2.604 20 0 GFADRO CC(C)OCC[NH+]1CCC(NS(=O)(=O)Cc2ccc(F)c(Cl)c2)CC1 ZINC000179001631 552181866 /nfs/dbraw/zinc/18/18/66/552181866.db2.gz WJSIMYZMZZEAIB-UHFFFAOYSA-N 1 0 392.924 2.788 20 0 GFADRO COCCNS(=O)(=O)c1cccc(C[NH2+][C@H](C)c2ccc(Cl)nc2)c1 ZINC000179128525 552185062 /nfs/dbraw/zinc/18/50/62/552185062.db2.gz NNXLMEYEUXWWCJ-CYBMUJFWSA-N 1 0 383.901 2.511 20 0 GFADRO CCS(=O)(=O)N(C)CCC[NH2+][C@H]1CCc2c1cccc2Br ZINC000179206734 552186725 /nfs/dbraw/zinc/18/67/25/552186725.db2.gz GXMCAMYSNJIWCY-HNNXBMFYSA-N 1 0 375.332 2.698 20 0 GFADRO C[NH+](C)C[C@@H]1CCN(S(=O)(=O)c2c(Cl)cc(F)cc2Br)C1 ZINC000179327356 552190061 /nfs/dbraw/zinc/19/00/61/552190061.db2.gz YIPAIRISGYGLLG-VIFPVBQESA-N 1 0 399.713 2.814 20 0 GFADRO C[NH+](C)CCOc1cc(C(=O)NCc2cccc(Br)c2)ccn1 ZINC000179484715 552194701 /nfs/dbraw/zinc/19/47/01/552194701.db2.gz CCKJOWSUJANOFA-UHFFFAOYSA-N 1 0 378.270 2.715 20 0 GFADRO OCCO[C@H]1CCC[N@H+](Cc2cnn(-c3ccc(Br)cc3)c2)C1 ZINC000179575128 552196572 /nfs/dbraw/zinc/19/65/72/552196572.db2.gz NDOVKYSPPKTFIP-KRWDZBQOSA-N 1 0 380.286 2.608 20 0 GFADRO C[NH+](C)CC(=O)N1CCN([C@H]2CCCc3ccc(Br)cc32)CC1 ZINC000179601912 552197711 /nfs/dbraw/zinc/19/77/11/552197711.db2.gz ATBWIGHRWLBNOY-KRWDZBQOSA-N 1 0 380.330 2.532 20 0 GFADRO O=C(c1ccc(Br)cc1O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000179691482 552200355 /nfs/dbraw/zinc/20/03/55/552200355.db2.gz ASPJNIKLDZKIDO-UHFFFAOYSA-N 1 0 397.313 2.872 20 0 GFADRO C[N@H+](CCCO)C1CCN(C(=O)[C@H]2C[C@@H]2c2ccc(Br)cc2)CC1 ZINC000179751641 552201982 /nfs/dbraw/zinc/20/19/82/552201982.db2.gz BRYNMHAHUSVGBP-MSOLQXFVSA-N 1 0 395.341 2.858 20 0 GFADRO CC[NH+](CC)CCCNC(=O)C(=O)Nc1cc(F)c(Br)c(F)c1 ZINC000179799922 552203725 /nfs/dbraw/zinc/20/37/25/552203725.db2.gz ATZDPXWHHURPGV-UHFFFAOYSA-N 1 0 392.244 2.514 20 0 GFADRO CC[C@H](CO)[NH+]1CCN(Cc2cnn(-c3ccc(Br)cc3)c2)CC1 ZINC000179997014 552209182 /nfs/dbraw/zinc/20/91/82/552209182.db2.gz RNCVILAYYDZMLE-QGZVFWFLSA-N 1 0 393.329 2.523 20 0 GFADRO COc1cc(/C=C/C(=O)N(C)[C@H]2CC[N@H+](C)C[C@H]2C)cc(Br)c1O ZINC000180061078 552211473 /nfs/dbraw/zinc/21/14/73/552211473.db2.gz WRNGWWCOEATZKR-RQMLTQGYSA-N 1 0 397.313 2.975 20 0 GFADRO COC(=O)[C@@H](O)C1CC[NH+](Cc2ccc(Br)c3cccnc23)CC1 ZINC000180277342 552220393 /nfs/dbraw/zinc/22/03/93/552220393.db2.gz OMERQRBGUFGFEF-KRWDZBQOSA-N 1 0 393.281 2.743 20 0 GFADRO COc1nc(N2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)ncc1Br ZINC000180434267 552225595 /nfs/dbraw/zinc/22/55/95/552225595.db2.gz OGBMLSLUEQBAMZ-STQMWFEESA-N 1 0 399.333 2.573 20 0 GFADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CNc2c(F)cc(Cl)cc2F)C1 ZINC000180596697 552230444 /nfs/dbraw/zinc/23/04/44/552230444.db2.gz AXPQHPKWRONMMR-CYBMUJFWSA-N 1 0 375.847 2.503 20 0 GFADRO C[C@@H]1CN(Cc2ccc(-c3cccc(Br)c3)o2)C[C@H](C(N)=O)O1 ZINC000180638935 552231686 /nfs/dbraw/zinc/23/16/86/552231686.db2.gz VLJGSDRNNGLGGT-BDJLRTHQSA-N 1 0 379.254 2.784 20 0 GFADRO C[C@H](Cn1cc(Br)cn1)[NH2+]CCCNC(=O)c1cccc(F)c1 ZINC000180728114 552234031 /nfs/dbraw/zinc/23/40/31/552234031.db2.gz QRJWBEAZEHGXHB-GFCCVEGCSA-N 1 0 383.265 2.583 20 0 GFADRO C[C@H]([NH2+]CCS(=O)(=O)NC[C@@H]1CCCCO1)c1ccc(F)c(Cl)c1 ZINC000180743151 552234741 /nfs/dbraw/zinc/23/47/41/552234741.db2.gz NBKSUBNKXKHNCH-JSGCOSHPSA-N 1 0 378.897 2.618 20 0 GFADRO CCOC(=O)CNC(=O)C1CC[NH+](Cc2ccc(Br)c(C)c2)CC1 ZINC000180770467 552235694 /nfs/dbraw/zinc/23/56/94/552235694.db2.gz JYPPKUQASMVPFF-UHFFFAOYSA-N 1 0 397.313 2.649 20 0 GFADRO CCS(=O)(=O)C[C@@H](C)[NH2+]C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000180827463 552237326 /nfs/dbraw/zinc/23/73/26/552237326.db2.gz OGNMCLDTOWAGFZ-CYBMUJFWSA-N 1 0 376.925 2.856 20 0 GFADRO Cc1cc([C@@H](C)[NH2+]Cc2ccccc2S(=O)(=O)N(C)CCO)c(C)s1 ZINC000180883741 552238812 /nfs/dbraw/zinc/23/88/12/552238812.db2.gz QDKWZGZHSNFZQA-CQSZACIVSA-N 1 0 382.551 2.829 20 0 GFADRO Cc1nccn1CCCC[N@@H+](C)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000181060848 552244818 /nfs/dbraw/zinc/24/48/18/552244818.db2.gz PPLJDOFKQVFIJN-MRXNPFEDSA-N 1 0 379.302 2.893 20 0 GFADRO COc1ccc(C(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)nc1Br ZINC000181078788 552245886 /nfs/dbraw/zinc/24/58/86/552245886.db2.gz QFAMYWSBXVDWDK-CYBMUJFWSA-N 1 0 382.302 2.943 20 0 GFADRO CCc1ccc([C@H](C)[NH2+]C2CCN(S(=O)(=O)c3cnn(C)c3)CC2)s1 ZINC000181110767 552247177 /nfs/dbraw/zinc/24/71/77/552247177.db2.gz HYQLMPDKXMKHNN-ZDUSSCGKSA-N 1 0 382.555 2.548 20 0 GFADRO CS(=O)(=O)CC1(C[NH2+][C@H]2CCc3c2c(Br)ccc3F)CC1 ZINC000181226356 552250864 /nfs/dbraw/zinc/25/08/64/552250864.db2.gz XDLPYQCWSBSIOT-ZDUSSCGKSA-N 1 0 376.291 2.990 20 0 GFADRO COCCc1nc(C)c([C@H](C)[NH2+][C@@H]2CCCN(CC(F)(F)F)C2=O)s1 ZINC000181530097 552259218 /nfs/dbraw/zinc/25/92/18/552259218.db2.gz ODUPYRUZMQSZQY-CMPLNLGQSA-N 1 0 379.448 2.844 20 0 GFADRO O=S(=O)(C[C@H](O)C[NH2+][C@H]1CCSc2c(F)cccc21)c1cccs1 ZINC000181634403 552262854 /nfs/dbraw/zinc/26/28/54/552262854.db2.gz XVBDANBIARBWHM-RISCZKNCSA-N 1 0 387.523 2.849 20 0 GFADRO CC[C@@H]([NH2+]C[C@H](O)CS(=O)(=O)c1cccs1)c1ccc2c(c1)CCO2 ZINC000181634218 552263020 /nfs/dbraw/zinc/26/30/20/552263020.db2.gz WJEUJCSIPMONJV-JKSUJKDBSA-N 1 0 381.519 2.559 20 0 GFADRO CC[C@@H]([NH2+]C[C@H]1CCCN1S(C)(=O)=O)c1cccc(Br)c1 ZINC000181694929 552265951 /nfs/dbraw/zinc/26/59/51/552265951.db2.gz PHYXWDKEUVCPCM-HUUCEWRRSA-N 1 0 375.332 2.914 20 0 GFADRO CC(C)N(CC[NH+](C)C)C(=O)Nc1ccc(NS(C)(=O)=O)c(Cl)c1 ZINC000181884543 552270076 /nfs/dbraw/zinc/27/00/76/552270076.db2.gz PZPFMQLNOMXSAB-UHFFFAOYSA-N 1 0 376.910 2.515 20 0 GFADRO O=S(=O)(c1ccc(C(F)(F)F)nc1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000182075338 552274581 /nfs/dbraw/zinc/27/45/81/552274581.db2.gz ZTDJLBASOZIPRS-CYBMUJFWSA-N 1 0 377.432 2.597 20 0 GFADRO COC(=O)CC[N@@H+]1CCN(Cc2cn3cc(Cl)cc(Cl)c3n2)[C@@H](C)C1 ZINC000182118171 552275816 /nfs/dbraw/zinc/27/58/16/552275816.db2.gz AQYQSGAVXSICEQ-LBPRGKRZSA-N 1 0 385.295 2.710 20 0 GFADRO CCOC(=O)COc1c(Br)cc(C)cc1C[N@H+](C)CC[C@@H](C)O ZINC000182193961 552277714 /nfs/dbraw/zinc/27/77/14/552277714.db2.gz JGTGYLPGOFHQBU-CYBMUJFWSA-N 1 0 388.302 2.902 20 0 GFADRO CN(C)C(=O)CC1CC[NH+](C[C@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000182231685 552278764 /nfs/dbraw/zinc/27/87/64/552278764.db2.gz LZOQBXMLQSOEQR-AWEZNQCLSA-N 1 0 389.323 2.923 20 0 GFADRO CCOC(=O)COc1c(Br)cc(C)cc1C[NH2+][C@@H](C)[C@H](C)CO ZINC000182280166 552280064 /nfs/dbraw/zinc/28/00/64/552280064.db2.gz HTPZFKPRXYFEMM-OLZOCXBDSA-N 1 0 388.302 2.806 20 0 GFADRO COC(=O)c1cc(C[NH2+]C[C@@H](O)COc2ccccc2Br)oc1C ZINC000182650180 552290048 /nfs/dbraw/zinc/29/00/48/552290048.db2.gz PCVGAZQZTZVVGY-GFCCVEGCSA-N 1 0 398.253 2.667 20 0 GFADRO CS(=O)(=O)N[C@@H]1CC[N@H+](CCSc2ccnc3cc(Cl)ccc32)C1 ZINC000182795257 552293390 /nfs/dbraw/zinc/29/33/90/552293390.db2.gz FVJDUVIJBSSCMZ-CYBMUJFWSA-N 1 0 385.942 2.604 20 0 GFADRO C[C@@H]1CCC[C@@H](C)C1[NH2+]CC(=O)NCC(=O)Nc1ccccc1Br ZINC000182951359 552296754 /nfs/dbraw/zinc/29/67/54/552296754.db2.gz ICHJKXBMTFWNMW-CHWSQXEVSA-N 1 0 396.329 2.918 20 0 GFADRO C[C@H]([NH2+][C@@H](C)[C@@H]1CCCO1)C(=O)Nc1ccc(I)cc1 ZINC000183096591 552300468 /nfs/dbraw/zinc/30/04/68/552300468.db2.gz AWIOOYVSNJTYAI-MJVIPROJSA-N 1 0 388.249 2.775 20 0 GFADRO CCOC(=O)c1c(C)c(C)sc1NC(=O)C[C@@H](C)[NH2+][C@@H](C)C[S@](C)=O ZINC000183206404 552303202 /nfs/dbraw/zinc/30/32/02/552303202.db2.gz QRXXTPYOIWXDRH-JJPWZELDSA-N 1 0 388.555 2.615 20 0 GFADRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)NCCOc2ncc(Cl)cc2Cl)C1 ZINC000183309534 552305834 /nfs/dbraw/zinc/30/58/34/552305834.db2.gz VNZNHUKOGDXBIP-IUODEOHRSA-N 1 0 387.311 2.893 20 0 GFADRO C[NH+](C)CC1(CNC(=O)C(=O)Nc2cccc(Br)c2)CCCC1 ZINC000183350781 552306711 /nfs/dbraw/zinc/30/67/11/552306711.db2.gz SGUAYPVPCSWYKB-UHFFFAOYSA-N 1 0 382.302 2.626 20 0 GFADRO CN1CCC([N@H+](CCO)Cc2ccc(OC(F)F)c(Br)c2)CC1 ZINC000183378140 552307778 /nfs/dbraw/zinc/30/77/78/552307778.db2.gz KAABQGOXHMXOHB-UHFFFAOYSA-N 1 0 393.272 2.939 20 0 GFADRO O=C(NCc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccc(Br)cc1 ZINC000183400106 552308547 /nfs/dbraw/zinc/30/85/47/552308547.db2.gz IBFXNEXFDRJGQZ-SFHVURJKSA-N 1 0 389.293 2.946 20 0 GFADRO CC[NH+](CC)[C@H](CNC(=O)Cc1nnc(NC)s1)c1ccccc1Cl ZINC000183493299 552310948 /nfs/dbraw/zinc/31/09/48/552310948.db2.gz VHQIMJBICNMXPF-CQSZACIVSA-N 1 0 381.933 2.975 20 0 GFADRO CC1(C)CN(CC[NH2+]Cc2cn(-c3ccc(Cl)c(Cl)c3)nn2)CCO1 ZINC000183733476 552318211 /nfs/dbraw/zinc/31/82/11/552318211.db2.gz LRBMBLNOJYFSKR-UHFFFAOYSA-N 1 0 384.311 2.775 20 0 GFADRO Cc1cccc(OC[C@@H](O)C[NH2+][C@@H](CO)c2cccc(Br)c2)c1 ZINC000183892959 552321973 /nfs/dbraw/zinc/32/19/73/552321973.db2.gz DYRGYZJPKLEZQZ-WMZOPIPTSA-N 1 0 380.282 2.820 20 0 GFADRO C[NH+](C)CCn1ccc(NCc2cn(-c3ccc(Cl)c(Cl)c3)nn2)n1 ZINC000183913392 552322517 /nfs/dbraw/zinc/32/25/17/552322517.db2.gz IDSOATYXJGHBDX-UHFFFAOYSA-N 1 0 380.283 2.944 20 0 GFADRO Cc1ccccc1OC[C@H](O)C[NH2+][C@@H](CO)c1cccc(Br)c1 ZINC000183914162 552322618 /nfs/dbraw/zinc/32/26/18/552322618.db2.gz YGBAKLPHMGZRBE-SJORKVTESA-N 1 0 380.282 2.820 20 0 GFADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)C[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000184065991 552326884 /nfs/dbraw/zinc/32/68/84/552326884.db2.gz QERUCFMOUKAPLR-SUMWQHHRSA-N 1 0 388.339 2.559 20 0 GFADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)c1[nH]c2ccccc2c1Br ZINC000184072126 552326900 /nfs/dbraw/zinc/32/69/00/552326900.db2.gz VMWLQAXJRONYKD-CYBMUJFWSA-N 1 0 393.329 2.686 20 0 GFADRO C[C@@H](CNC(=O)c1cccc(Br)c1Cl)C[NH+]1CCN(C)CC1 ZINC000184067499 552326985 /nfs/dbraw/zinc/32/69/85/552326985.db2.gz FWIONFGTZRYABA-LBPRGKRZSA-N 1 0 388.737 2.716 20 0 GFADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)Nc1ccc(F)cc1Br ZINC000184130193 552327877 /nfs/dbraw/zinc/32/78/77/552327877.db2.gz FKQJRPDLSKITMD-GFCCVEGCSA-N 1 0 387.297 2.736 20 0 GFADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)CCc1cccc(Br)c1 ZINC000184325024 552332687 /nfs/dbraw/zinc/33/26/87/552332687.db2.gz XFMMZBWFKWKVMA-HNNXBMFYSA-N 1 0 382.346 2.524 20 0 GFADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)/C=C/c1csc(Br)c1 ZINC000184331617 552332890 /nfs/dbraw/zinc/33/28/90/552332890.db2.gz LSNCXAWEFDKKPS-ITDFMYJTSA-N 1 0 386.359 2.666 20 0 GFADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)C(C)(C)c1cccc(Br)c1 ZINC000184366927 552333328 /nfs/dbraw/zinc/33/33/28/552333328.db2.gz LQNKRQRIGAVHKE-OAHLLOKOSA-N 1 0 396.373 2.869 20 0 GFADRO C[NH+](C)C[C@H]1CN(C(=O)Nc2nc(-c3ccccc3Cl)ns2)CCO1 ZINC000184385007 552334731 /nfs/dbraw/zinc/33/47/31/552334731.db2.gz DBQAODNDMBWKJE-NSHDSACASA-N 1 0 381.889 2.653 20 0 GFADRO COCCCCS(=O)(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000184504855 552337024 /nfs/dbraw/zinc/33/70/24/552337024.db2.gz JIVSWKWLDXZYPP-UHFFFAOYSA-N 1 0 388.961 2.898 20 0 GFADRO CC[C@H](CO)[NH+]1CCN(C(=O)Nc2cc(F)c(Br)cc2C)CC1 ZINC000184812602 552344751 /nfs/dbraw/zinc/34/47/51/552344751.db2.gz KFBSQSCRFYWCDJ-GFCCVEGCSA-N 1 0 388.281 2.817 20 0 GFADRO Cc1sc([C@H](C)[NH2+]CCN2C(=O)CNC2=O)nc1-c1ccc(Cl)cc1 ZINC000184942976 552348912 /nfs/dbraw/zinc/34/89/12/552348912.db2.gz UWCPOGYEZIIEPE-JTQLQIEISA-N 1 0 378.885 2.974 20 0 GFADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N2Cc3cccc(Br)c3C2)C1 ZINC000185078570 552353083 /nfs/dbraw/zinc/35/30/83/552353083.db2.gz LKVVRUBQTVNSPZ-OAHLLOKOSA-N 1 0 396.329 2.831 20 0 GFADRO O=C(NCc1cc2cc(Br)ccc2[nH]1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000185567595 552366445 /nfs/dbraw/zinc/36/64/45/552366445.db2.gz BSUBUIQNOYHKAC-HNNXBMFYSA-N 1 0 377.286 2.920 20 0 GFADRO O[C@@H](COc1ccc(Cl)cc1Cl)C[NH+]1CCC(Cn2cncn2)CC1 ZINC000186211496 552382349 /nfs/dbraw/zinc/38/23/49/552382349.db2.gz QBZXREXYIXFWBA-OAHLLOKOSA-N 1 0 385.295 2.737 20 0 GFADRO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000186761580 552397015 /nfs/dbraw/zinc/39/70/15/552397015.db2.gz XCMQSDJKLKZHRM-TVQRCGJNSA-N 1 0 379.254 2.592 20 0 GFADRO CCCOc1c(Br)cc(C(=O)N[C@@H]2C[NH2+]CC[C@H]2C)cc1OC ZINC000186834349 552398814 /nfs/dbraw/zinc/39/88/14/552398814.db2.gz ZGZHXXPYSBAZPE-BXUZGUMPSA-N 1 0 385.302 2.974 20 0 GFADRO Cc1cc(CCC(=O)N2CC[N@@H+](CC(C)(C)O)C[C@H]2C)ccc1Br ZINC000186911254 552401164 /nfs/dbraw/zinc/40/11/64/552401164.db2.gz NGEKPEKYHTZOFJ-OAHLLOKOSA-N 1 0 397.357 2.994 20 0 GFADRO C[C@@H](Cc1ccc(Br)cc1)C(=O)N1CC[N@H+](CC(C)(C)O)C[C@@H]1C ZINC000186928832 552401776 /nfs/dbraw/zinc/40/17/76/552401776.db2.gz MIFCFKYILCLDFZ-GJZGRUSLSA-N 1 0 397.357 2.931 20 0 GFADRO CC(C)(C)NC(=O)C[NH2+]Cc1cc(Br)cc(Br)c1N ZINC000187081944 552405867 /nfs/dbraw/zinc/40/58/67/552405867.db2.gz UYCPTUYPXWEBEM-UHFFFAOYSA-N 1 0 393.123 2.798 20 0 GFADRO CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]C[C@H](O)c1ccc(OC)cc1 ZINC000187111992 552406687 /nfs/dbraw/zinc/40/66/87/552406687.db2.gz RHGTWSIOEJVYMH-KRWDZBQOSA-N 1 0 383.897 2.965 20 0 GFADRO COc1ccc(Cl)cc1N1CC[C@H]([NH2+][C@@H](C)C2CCS(=O)(=O)CC2)C1 ZINC000187141564 552407757 /nfs/dbraw/zinc/40/77/57/552407757.db2.gz BWBJICXWPBJDMP-BBRMVZONSA-N 1 0 386.945 2.730 20 0 GFADRO Cc1cc(Br)c(F)cc1NC(=O)C(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000187222871 552409368 /nfs/dbraw/zinc/40/93/68/552409368.db2.gz AVVAZLIJUIGMOU-WDEREUQCSA-N 1 0 398.276 2.577 20 0 GFADRO CC[C@H](NC(=O)NCC[N@@H+]1CCCOCC1)c1nc(C(F)(F)F)cs1 ZINC000187238996 552409628 /nfs/dbraw/zinc/40/96/28/552409628.db2.gz PJMMMTLKWJYOLU-NSHDSACASA-N 1 0 380.436 2.635 20 0 GFADRO CCN(CC)S(=O)(=O)c1cc(NC(=O)c2c[nH+]ccc2N)ccc1Cl ZINC000187223564 552409792 /nfs/dbraw/zinc/40/97/92/552409792.db2.gz HESLSBJOKYUDJT-UHFFFAOYSA-N 1 0 382.873 2.600 20 0 GFADRO C[C@H]([NH2+][C@H]1CCCN(c2ccccc2Cl)C1=O)C1CCS(=O)(=O)CC1 ZINC000187247035 552410614 /nfs/dbraw/zinc/41/06/14/552410614.db2.gz CNIDBSYFKUYAPI-BBRMVZONSA-N 1 0 384.929 2.638 20 0 GFADRO CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]CCCOC[C@H]1CCOC1 ZINC000187259632 552410977 /nfs/dbraw/zinc/41/09/77/552410977.db2.gz YXQGGYRORTUIBA-CQSZACIVSA-N 1 0 375.918 2.666 20 0 GFADRO Cc1cc(Br)cc(S(=O)(=O)N2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000187316169 552412315 /nfs/dbraw/zinc/41/23/15/552412315.db2.gz JPUCUSUJGLCXKC-CQSZACIVSA-N 1 0 387.343 2.864 20 0 GFADRO O=C(NCc1ccc(Br)cc1Oc1ccccc1)[C@H]1C[NH2+]CCO1 ZINC000187824833 552425348 /nfs/dbraw/zinc/42/53/48/552425348.db2.gz DWJGYDJKEKFTFZ-QGZVFWFLSA-N 1 0 391.265 2.846 20 0 GFADRO COc1cc(Br)ccc1CNC(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000187849695 552426379 /nfs/dbraw/zinc/42/63/79/552426379.db2.gz YCFNGFIQYIGVBX-HNNXBMFYSA-N 1 0 380.286 2.613 20 0 GFADRO COc1cc(Br)ccc1CNC(=O)N(C)[C@H]1CC[N@H+](C)C[C@H]1C ZINC000187852577 552426797 /nfs/dbraw/zinc/42/67/97/552426797.db2.gz HQCWFELJBNIISG-DOMZBBRYSA-N 1 0 384.318 2.939 20 0 GFADRO C[C@@H]1C[NH+](CCCNC(=O)Cc2ccc(F)cc2Br)C[C@@H](C)O1 ZINC000188030929 552432303 /nfs/dbraw/zinc/43/23/03/552432303.db2.gz LBIYLBQRFWEIOO-CHWSQXEVSA-N 1 0 387.293 2.746 20 0 GFADRO COC(=O)CN1CCC([NH2+][C@@H]2CCN(c3ccc(Cl)cc3Cl)C2)CC1 ZINC000188056712 552432753 /nfs/dbraw/zinc/43/27/53/552432753.db2.gz PBZHRWHOCIMBFV-OAHLLOKOSA-N 1 0 386.323 2.799 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1Br ZINC000188113580 552435706 /nfs/dbraw/zinc/43/57/06/552435706.db2.gz RJJFDFUVZVDHEA-KGLIPLIRSA-N 1 0 394.313 2.700 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N2CCC[C@@H]([NH+](C)C)C2)cc1Br ZINC000188120433 552436236 /nfs/dbraw/zinc/43/62/36/552436236.db2.gz PSLINZVSERAHNT-CYBMUJFWSA-N 1 0 382.302 2.557 20 0 GFADRO Cc1cc(Br)cc(NC(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c1 ZINC000188135819 552436416 /nfs/dbraw/zinc/43/64/16/552436416.db2.gz NOAUFDQQELVYJV-CZUORRHYSA-N 1 0 394.313 2.639 20 0 GFADRO Cc1ccc(Br)nc1C(=O)NC1CC[NH+](CCOC(C)C)CC1 ZINC000188231007 552439675 /nfs/dbraw/zinc/43/96/75/552439675.db2.gz WZBUCCWOJREQLZ-UHFFFAOYSA-N 1 0 384.318 2.772 20 0 GFADRO Cc1cc(CCC(=O)N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)ccc1Br ZINC000188656871 552451299 /nfs/dbraw/zinc/45/12/99/552451299.db2.gz OLUDSQIXLHDZBY-HNNXBMFYSA-N 1 0 397.357 2.994 20 0 GFADRO Cc1cc(Br)ccc1CNC(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000188689556 552452153 /nfs/dbraw/zinc/45/21/53/552452153.db2.gz SUSKAMFYFKKBJL-AWEZNQCLSA-N 1 0 398.345 2.744 20 0 GFADRO O=C(/C=C/c1ccc(I)o1)NCc1ccc2c(c1)C[NH2+]C2 ZINC000188766980 552454844 /nfs/dbraw/zinc/45/48/44/552454844.db2.gz XTOVNCNBQIZADX-GQCTYLIASA-N 1 0 394.212 2.817 20 0 GFADRO COc1cc(C[NH2+]C[C@H]2CC[C@@H](O)C2)cc(I)c1OC ZINC000188849423 552456800 /nfs/dbraw/zinc/45/68/00/552456800.db2.gz YNKFNBJCZBCQNF-CMPLNLGQSA-N 1 0 391.249 2.559 20 0 GFADRO Cc1ccc(CC(=O)NC(C)(C)CC[NH+]2CCN(C)CC2)cc1Br ZINC000188864375 552457108 /nfs/dbraw/zinc/45/71/08/552457108.db2.gz ZFFVMVUWYDSPSW-UHFFFAOYSA-N 1 0 396.373 2.832 20 0 GFADRO C[NH+](C)C[C@@](C)(O)CNC(=O)C1(c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000188882689 552457527 /nfs/dbraw/zinc/45/75/27/552457527.db2.gz DCMWYMVKVMHHDV-HNNXBMFYSA-N 1 0 378.822 2.819 20 0 GFADRO COc1cc(Br)ccc1CNC(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000189022831 552460760 /nfs/dbraw/zinc/46/07/60/552460760.db2.gz NMWYCOZBAULXPY-UHFFFAOYSA-N 1 0 396.289 2.538 20 0 GFADRO C[C@@H](Cn1cc(Br)cn1)[NH2+][C@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000189039626 552461371 /nfs/dbraw/zinc/46/13/71/552461371.db2.gz DLWXVOFUJVMNLJ-LRDDRELGSA-N 1 0 395.276 2.564 20 0 GFADRO CN(Cc1c(F)cccc1Cl)S(=O)(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000189128831 552463533 /nfs/dbraw/zinc/46/35/33/552463533.db2.gz ZNIKSIQCOQCKCY-UHFFFAOYSA-N 1 0 377.913 2.572 20 0 GFADRO COc1cc(C[NH2+][C@H]2C[C@@H](O)C2(C)C)cc(I)c1OC ZINC000189354067 552469098 /nfs/dbraw/zinc/46/90/98/552469098.db2.gz FUSPDDLMZHYQMA-QWHCGFSZSA-N 1 0 391.249 2.557 20 0 GFADRO O=S(=O)(C[C@@H](O)C[NH2+][C@H]1CC[C@@H](Cc2ccccc2)C1)c1cccs1 ZINC000189355225 552469484 /nfs/dbraw/zinc/46/94/84/552469484.db2.gz XNXTYECQLSSIRK-BZSNNMDCSA-N 1 0 379.547 2.884 20 0 GFADRO COC[C@H]1CN(CC(=O)N(C)Cc2cc(Cl)cc(Cl)c2)C[C@@H](C)O1 ZINC000189413480 552471052 /nfs/dbraw/zinc/47/10/52/552471052.db2.gz SHUAVGCRYSWXJB-MLGOLLRUSA-N 1 0 375.296 2.688 20 0 GFADRO CCN(C(C)=O)c1nc(C[NH2+]CC2CCN(CC(F)(F)F)CC2)cs1 ZINC000189463831 552471844 /nfs/dbraw/zinc/47/18/44/552471844.db2.gz WWTBIJBJHUUSJG-UHFFFAOYSA-N 1 0 378.464 2.880 20 0 GFADRO C[C@@H](Cc1ccc(F)c(Br)c1)C(=O)NCC[N@@H+]1CCCOCC1 ZINC000189445327 552472207 /nfs/dbraw/zinc/47/22/07/552472207.db2.gz JOFXQHWSXLIQEF-ZDUSSCGKSA-N 1 0 387.293 2.605 20 0 GFADRO C[C@@H](O)C[N@@H+]1CCN(Cc2cc(Br)cc3cccnc32)[C@@H](C)C1 ZINC000189564591 552474863 /nfs/dbraw/zinc/47/48/63/552474863.db2.gz HDQKACXMDBJJMK-UONOGXRCSA-N 1 0 378.314 2.884 20 0 GFADRO COCCO[C@@H]1CC[N@H+](CCC(=O)Nc2ccc(Br)cc2F)C1 ZINC000189651499 552476697 /nfs/dbraw/zinc/47/66/97/552476697.db2.gz ITOURWTUWRLMHM-CYBMUJFWSA-N 1 0 389.265 2.654 20 0 GFADRO C[C@@H]1CN(CCC(=O)Nc2ccccc2Br)CC[N@@H+]1CC(C)(C)O ZINC000189952008 552483835 /nfs/dbraw/zinc/48/38/35/552483835.db2.gz AIVKXVKXWMIHMS-CQSZACIVSA-N 1 0 398.345 2.555 20 0 GFADRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2S(=O)(=O)c2ccc(CC(F)(F)F)cc2)C1 ZINC000190079612 552486844 /nfs/dbraw/zinc/48/68/44/552486844.db2.gz KPOQGZONVKOFPI-GDBMZVCRSA-N 1 0 376.444 2.896 20 0 GFADRO Cn1cc([C@@H]2CSCCN2C(=O)NC[C@H](c2cccs2)[NH+](C)C)cn1 ZINC000190425500 552495968 /nfs/dbraw/zinc/49/59/68/552495968.db2.gz QIQDEGZDQHZTDK-CABCVRRESA-N 1 0 379.555 2.584 20 0 GFADRO COc1cc(Br)ccc1[C@H](C)[NH2+]CC(=O)N(C)Cc1cnn(C)c1 ZINC000190440358 552496409 /nfs/dbraw/zinc/49/64/09/552496409.db2.gz SPUSZECOUCSBNE-LBPRGKRZSA-N 1 0 395.301 2.500 20 0 GFADRO OCC[C@H]([NH2+]C[C@H](O)COCC(F)(F)F)c1ccc(Cl)c(Cl)c1 ZINC000293471535 563814063 /nfs/dbraw/zinc/81/40/63/563814063.db2.gz XKBLFUNNWQJEQS-GWCFXTLKSA-N 1 0 376.202 2.946 20 0 GFADRO Cc1ccc(Br)nc1C(=O)NC1CC[NH+](Cc2cccnc2)CC1 ZINC000190526292 552500063 /nfs/dbraw/zinc/50/00/63/552500063.db2.gz UUMWLUWVICDYBN-UHFFFAOYSA-N 1 0 389.297 2.942 20 0 GFADRO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1cc(Br)c(F)cc1F ZINC000190836973 552510531 /nfs/dbraw/zinc/51/05/31/552510531.db2.gz DTLVEFPYQGOCNL-VIFPVBQESA-N 1 0 392.244 2.512 20 0 GFADRO Cc1cc(F)c(Br)cc1NC(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000190876926 552512411 /nfs/dbraw/zinc/51/24/11/552512411.db2.gz DHDXNBQKZLZGSX-UHFFFAOYSA-N 1 0 388.281 2.817 20 0 GFADRO C[N@H+](CCNC(=O)Cc1ccc(I)cc1)C1CCCC1 ZINC000190924884 552513997 /nfs/dbraw/zinc/51/39/97/552513997.db2.gz UXIPIBGJEUXKLQ-UHFFFAOYSA-N 1 0 386.277 2.824 20 0 GFADRO Cc1csc(C(=O)NCCCC[N@@H+]2CCC[C@@H]2CO)c1Br ZINC000190991280 552515785 /nfs/dbraw/zinc/51/57/85/552515785.db2.gz ISEOTXNITUZHIL-GFCCVEGCSA-N 1 0 375.332 2.786 20 0 GFADRO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)Nc1cc(F)cc(F)c1Br ZINC000191127851 552519543 /nfs/dbraw/zinc/51/95/43/552519543.db2.gz CUIJQAYELLCJRL-SECBINFHSA-N 1 0 392.244 2.512 20 0 GFADRO C[C@@H]1CC(O)C[C@@H](C)[NH+]1CC(=O)N(C)CCOc1ccc(Br)cc1 ZINC000191168635 552520116 /nfs/dbraw/zinc/52/01/16/552520116.db2.gz FTQNWTFNMWVNPV-ZIAGYGMSSA-N 1 0 399.329 2.520 20 0 GFADRO CCNC(=O)CC[N@H+](C)Cc1cccc(Br)c1OCC(C)(C)O ZINC000191349231 552525983 /nfs/dbraw/zinc/52/59/83/552525983.db2.gz JVVDEYQQEJESAL-UHFFFAOYSA-N 1 0 387.318 2.557 20 0 GFADRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)c1cc(Br)nn1C ZINC000192036818 552546616 /nfs/dbraw/zinc/54/66/16/552546616.db2.gz LIGQJNARTGXHTP-UHFFFAOYSA-N 1 0 379.302 2.907 20 0 GFADRO C[C@@H](C(=O)Nc1ccc(Br)c(I)c1)[C@H](C)[NH3+] ZINC000192037485 552547216 /nfs/dbraw/zinc/54/72/16/552547216.db2.gz ZDIHXAUHNYOBNO-RQJHMYQMSA-N 1 0 397.054 2.976 20 0 GFADRO NC(=O)CC[C@H]1CCC[N@@H+]([C@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000192072518 552548916 /nfs/dbraw/zinc/54/89/16/552548916.db2.gz MXPQUSJNLKKFQB-CJNGLKHVSA-N 1 0 394.313 2.532 20 0 GFADRO Cc1c([C@@H](C)[NH2+][C@H]2CCN(c3cccc(Br)c3)C2=O)cnn1C ZINC000192076401 552549394 /nfs/dbraw/zinc/54/93/94/552549394.db2.gz VCBMQLLWQDXIDL-BZNIZROVSA-N 1 0 377.286 2.947 20 0 GFADRO COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000192085668 552550474 /nfs/dbraw/zinc/55/04/74/552550474.db2.gz WCJZJGDWGSIVRY-WDEREUQCSA-N 1 0 388.295 2.930 20 0 GFADRO Cn1nc(Br)cc1C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000192098653 552550679 /nfs/dbraw/zinc/55/06/79/552550679.db2.gz YDPUILOJNMSDMI-GFCCVEGCSA-N 1 0 397.342 2.886 20 0 GFADRO COc1cc(Cl)c(Br)cc1C(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000192121940 552551789 /nfs/dbraw/zinc/55/17/89/552551789.db2.gz MOJBRKAZFQZAKK-SNVBAGLBSA-N 1 0 391.693 2.514 20 0 GFADRO CCN(CCC[NH+](C)C)C(=O)C(=O)Nc1cc(Cl)c(Cl)cc1OC ZINC000192204244 552555704 /nfs/dbraw/zinc/55/57/04/552555704.db2.gz SABWANIFNVBWCY-UHFFFAOYSA-N 1 0 376.284 2.741 20 0 GFADRO CCCN([C@@H]1CC[NH2+]C1)S(=O)(=O)c1ccc(Cl)c(Br)c1 ZINC000192389590 552561543 /nfs/dbraw/zinc/56/15/43/552561543.db2.gz OVZBQQVFZBOQMB-SNVBAGLBSA-N 1 0 381.723 2.865 20 0 GFADRO COC(=O)[C@@](C)(NCCN1CCOC[C@@H]1C)c1ccc(Cl)c(Cl)c1 ZINC000192806916 552974099 /nfs/dbraw/zinc/97/40/99/552974099.db2.gz UOJCTCAUQHIHAN-SJCJKPOMSA-N 1 0 375.296 2.692 20 0 GFADRO O[C@@H](Cc1ccccc1)C[NH+]1CCN(c2ccc(Br)cn2)CC1 ZINC000192879146 552976717 /nfs/dbraw/zinc/97/67/17/552976717.db2.gz LJYDVAVNRKOFAI-KRWDZBQOSA-N 1 0 376.298 2.570 20 0 GFADRO Cc1cc(S(=O)(=O)N2CC[C@@H](C[N@@H+](C)Cc3scnc3C)C2)c(C)o1 ZINC000192934811 552978616 /nfs/dbraw/zinc/97/86/16/552978616.db2.gz TVYBESSHOXHXOW-HNNXBMFYSA-N 1 0 383.539 2.804 20 0 GFADRO COc1ccc(S(=O)(=O)N[C@H](C)C[NH+]2CCCCC2)cc1Br ZINC000193095918 552983237 /nfs/dbraw/zinc/98/32/37/552983237.db2.gz FYYWQKAKHXJDNP-GFCCVEGCSA-N 1 0 391.331 2.610 20 0 GFADRO O=C(NCC1([NH+]2CCCCC2)CCOCC1)c1ncccc1Br ZINC000193231089 552986926 /nfs/dbraw/zinc/98/69/26/552986926.db2.gz FSWMSZKPHCXFPJ-UHFFFAOYSA-N 1 0 382.302 2.609 20 0 GFADRO [NH3+]C[C@H]1CCCN1S(=O)(=O)c1cc(C(F)(F)F)ccc1Br ZINC000193296442 552989592 /nfs/dbraw/zinc/98/95/92/552989592.db2.gz HTEBFAKMSQPNFM-SECBINFHSA-N 1 0 387.221 2.580 20 0 GFADRO CCCC[C@@H](C[NH3+])NS(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC000193305460 552989684 /nfs/dbraw/zinc/98/96/84/552989684.db2.gz SNBDJCPZQUHOSL-HIFRSBDPSA-N 1 0 390.933 2.551 20 0 GFADRO COc1cc(S(=O)(=O)NCc2ccc3c(c2)C[NH2+]C3)ccc1Br ZINC000193430552 552993073 /nfs/dbraw/zinc/99/30/73/552993073.db2.gz BFWUUCHOIZTCCG-UHFFFAOYSA-N 1 0 397.294 2.539 20 0 GFADRO [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)CCSc1ccc(Cl)cc1 ZINC000193668800 552999831 /nfs/dbraw/zinc/99/98/31/552999831.db2.gz AOTOXTVPOZXHGQ-HNNXBMFYSA-N 1 0 383.945 2.668 20 0 GFADRO CN(Cc1c(F)cccc1Cl)S(=O)(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000193907159 553006334 /nfs/dbraw/zinc/00/63/34/553006334.db2.gz YZNUBOKDFCAATN-UHFFFAOYSA-N 1 0 389.924 2.620 20 0 GFADRO O=S(=O)(NC1CC[NH+](CC2CC2)CC1)c1ccccc1OC(F)(F)F ZINC000193908877 553006376 /nfs/dbraw/zinc/00/63/76/553006376.db2.gz OECCZEQGPDQDDO-UHFFFAOYSA-N 1 0 378.416 2.738 20 0 GFADRO C[NH+](C)CCCNC(=O)CSc1nccn1-c1ccc(Br)cc1 ZINC000194038614 553010446 /nfs/dbraw/zinc/01/04/46/553010446.db2.gz MRMFVRYNFWVQHL-UHFFFAOYSA-N 1 0 397.342 2.795 20 0 GFADRO CCCN(CC(=O)Nc1ccc(Cl)cc1)C(=O)c1csc(CC[NH3+])n1 ZINC000194804099 553030513 /nfs/dbraw/zinc/03/05/13/553030513.db2.gz ZZJDPUXXFUUQBD-UHFFFAOYSA-N 1 0 380.901 2.789 20 0 GFADRO CC(C)[NH+]1CCC(NC(=O)c2cc(I)ccc2O)CC1 ZINC000194813256 553031113 /nfs/dbraw/zinc/03/11/13/553031113.db2.gz OOGIJKLSAPKUPB-UHFFFAOYSA-N 1 0 388.249 2.599 20 0 GFADRO CS(=O)(=O)N1CCC[N@H+](CCCCc2cccc(C(F)(F)F)c2)CC1 ZINC000194980676 553035362 /nfs/dbraw/zinc/03/53/62/553035362.db2.gz GLADQTNFYUFRLP-UHFFFAOYSA-N 1 0 378.460 2.995 20 0 GFADRO C[C@H]1CN(C)CCN1C(=O)c1cc(Br)ccc1Br ZINC000228921124 553063809 /nfs/dbraw/zinc/06/38/09/553063809.db2.gz BTBWELGIFBMDRZ-VIFPVBQESA-N 1 0 376.092 2.988 20 0 GFADRO Cc1ccc(C[NH2+]C2CCN(S(=O)(=O)C3CCOCC3)CC2)cc1Cl ZINC000195443898 553048938 /nfs/dbraw/zinc/04/89/38/553048938.db2.gz ABUCNHFYURILTD-UHFFFAOYSA-N 1 0 386.945 2.711 20 0 GFADRO CC[NH+](CC)CCNC(=O)N1CCO[C@@H](c2cccc(Br)c2)C1 ZINC000195475757 553050411 /nfs/dbraw/zinc/05/04/11/553050411.db2.gz CEXQMJIWOIEFLN-MRXNPFEDSA-N 1 0 384.318 2.874 20 0 GFADRO C[C@H](NC(=O)c1ccc(F)cc1I)[C@H]1CCC[NH2+]C1 ZINC000226235685 553061298 /nfs/dbraw/zinc/06/12/98/553061298.db2.gz JPBDZTRLLJITPZ-UWVGGRQHSA-N 1 0 376.213 2.548 20 0 GFADRO C[C@]1(NS(=O)(=O)c2c(Cl)cc(Br)cc2Cl)CC[NH2+]C1 ZINC000230736677 553065298 /nfs/dbraw/zinc/06/52/98/553065298.db2.gz KHFUWSFFBWBLAV-NSHDSACASA-N 1 0 388.114 2.786 20 0 GFADRO C[C@H](C[NH+]1CCCCC1)NC(=O)c1ccc(I)c(O)c1 ZINC000230888819 553065669 /nfs/dbraw/zinc/06/56/69/553065669.db2.gz RSILRURSXKVBFE-LLVKDONJSA-N 1 0 388.249 2.601 20 0 GFADRO CN(C(=O)c1ccc(F)cc1I)[C@@H]1CCC[NH2+]CC1 ZINC000231469346 553066356 /nfs/dbraw/zinc/06/63/56/553066356.db2.gz ULRCBFGWWUIYIJ-LLVKDONJSA-N 1 0 376.213 2.644 20 0 GFADRO CC[C@H]1C[N@H+](C)CCCN1S(=O)(=O)c1cc(Br)sc1C ZINC000234108529 553067282 /nfs/dbraw/zinc/06/72/82/553067282.db2.gz FUOBDLROFLZDIE-NSHDSACASA-N 1 0 381.361 2.924 20 0 GFADRO COCC(=O)N1CCC([NH2+]Cc2ccc(Br)c(Cl)c2)CC1 ZINC000234617510 553067747 /nfs/dbraw/zinc/06/77/47/553067747.db2.gz JYGVDIFZXVEMBY-UHFFFAOYSA-N 1 0 375.694 2.830 20 0 GFADRO C[C@@H]1CCN(C(=O)c2ccc(F)cc2I)[C@H](C[NH3+])C1 ZINC000235312873 553067899 /nfs/dbraw/zinc/06/78/99/553067899.db2.gz QNXIPJRNEVICOJ-KOLCDFICSA-N 1 0 376.213 2.630 20 0 GFADRO O=C(NCCOc1cccc(Br)c1)[C@H]1[NH2+]CCc2ccccc21 ZINC000236573276 553069458 /nfs/dbraw/zinc/06/94/58/553069458.db2.gz ODVCLGUCAZVFRX-KRWDZBQOSA-N 1 0 375.266 2.831 20 0 GFADRO O=C([C@H]1CC12CC[NH2+]CC2)N1CCN(Cc2ccc(Br)s2)CC1 ZINC000236603318 553069621 /nfs/dbraw/zinc/06/96/21/553069621.db2.gz IMUMBUJYHXKVBW-CQSZACIVSA-N 1 0 398.370 2.545 20 0 GFADRO CC(=O)N[C@H](CC(=O)N[C@H](C[NH3+])CC(C)C)c1ccc(Br)cc1 ZINC000236635440 553069902 /nfs/dbraw/zinc/06/99/02/553069902.db2.gz QPOBPARSXAWXRQ-JKSUJKDBSA-N 1 0 384.318 2.506 20 0 GFADRO CC(=O)N1CCC([NH2+]C[C@H]2CCN(c3ccc(Br)cc3)C2)CC1 ZINC000236609030 553069929 /nfs/dbraw/zinc/06/99/29/553069929.db2.gz DKSLQUQJPILVIQ-OAHLLOKOSA-N 1 0 380.330 2.876 20 0 GFADRO O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)NCc1cn2cc(Br)ccc2n1 ZINC000236638944 553069930 /nfs/dbraw/zinc/06/99/30/553069930.db2.gz GBEAOIKTOBKYDT-QXMXGUDHSA-N 1 0 377.286 2.634 20 0 GFADRO CC(C)[C@](C)(C[NH3+])NC(=O)c1nn(-c2ccc(F)cc2)cc1Br ZINC000236689050 553070287 /nfs/dbraw/zinc/07/02/87/553070287.db2.gz AXHBOAAWWLTCFZ-INIZCTEOSA-N 1 0 383.265 2.877 20 0 GFADRO O=C(CCC[S@@](=O)c1ccc(Br)cc1)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000236747785 553070978 /nfs/dbraw/zinc/07/09/78/553070978.db2.gz YVSKNJJPTPTJDN-BRCQYWMXSA-N 1 0 399.354 2.736 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)N[C@@](C)(C[NH3+])C1CC1 ZINC000236826913 553071727 /nfs/dbraw/zinc/07/17/27/553071727.db2.gz KQNJCHCBOCHPLJ-UGSOOPFHSA-N 1 0 384.567 2.595 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000236825137 553071760 /nfs/dbraw/zinc/07/17/60/553071760.db2.gz FCLGFVYXBYIQRK-GJZGRUSLSA-N 1 0 384.567 2.548 20 0 GFADRO CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)[C@@H]([NH3+])CCSC ZINC000236911139 553073095 /nfs/dbraw/zinc/07/30/95/553073095.db2.gz SILNMUQIDCCLHU-LBPRGKRZSA-N 1 0 377.432 2.573 20 0 GFADRO CCCOc1c(Br)cc(C(=O)NC[C@H]2CCC[NH2+]C2)cc1OC ZINC000236987360 553073699 /nfs/dbraw/zinc/07/36/99/553073699.db2.gz GFKZTBONOXSZTJ-LBPRGKRZSA-N 1 0 385.302 2.976 20 0 GFADRO CCc1nc(C(=O)N2C[C@@H](C)[NH2+]C[C@@H]2C)nn1-c1c(Cl)cccc1Cl ZINC000237024921 553073799 /nfs/dbraw/zinc/07/37/99/553073799.db2.gz POPNEIJUXAZBJV-MNOVXSKESA-N 1 0 382.295 2.959 20 0 GFADRO C[NH2+]C[C@@H](C)CNS(=O)(=O)c1ccc(Br)cc1C(F)(F)F ZINC000237061224 553074256 /nfs/dbraw/zinc/07/42/56/553074256.db2.gz BPKDVVBHWMCYKG-MRVPVSSYSA-N 1 0 389.237 2.602 20 0 GFADRO CN(C1C[C@H]2CC[C@@H](C1)[NH2+]2)S(=O)(=O)c1ccc(OC(F)F)c(Cl)c1 ZINC000237243588 553076021 /nfs/dbraw/zinc/07/60/21/553076021.db2.gz DDANVKYXPYZIDB-ZACCUICWSA-N 1 0 380.844 2.845 20 0 GFADRO COc1ccc(S(=O)(=O)N[C@H](C[NH3+])C2CCCCC2)cc1Br ZINC000237326390 553076411 /nfs/dbraw/zinc/07/64/11/553076411.db2.gz WYKYWSKIABDCID-CQSZACIVSA-N 1 0 391.331 2.644 20 0 GFADRO C[NH2+]CC1CCN(S(=O)(=O)c2c(Cl)cc(F)cc2Br)CC1 ZINC000237355841 553077028 /nfs/dbraw/zinc/07/70/28/553077028.db2.gz ZBEIFIWAKXWYOJ-UHFFFAOYSA-N 1 0 399.713 2.862 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CNC(=O)C[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000237404148 553077723 /nfs/dbraw/zinc/07/77/23/553077723.db2.gz VMRGUHKXAFIJSC-KBPBESRZSA-N 1 0 396.329 2.838 20 0 GFADRO Cc1c(C(=O)N2CCC[C@@H](C)[C@H]2C[NH3+])nnn1-c1cccc(Br)c1 ZINC000237457116 553078079 /nfs/dbraw/zinc/07/80/79/553078079.db2.gz NBIYMEKWLYVYGF-IAQYHMDHSA-N 1 0 392.301 2.538 20 0 GFADRO Cc1c(C(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)nnn1-c1cccc(Br)c1 ZINC000237459317 553078239 /nfs/dbraw/zinc/07/82/39/553078239.db2.gz NDFIZNXEVBVQHJ-AAEUAGOBSA-N 1 0 392.301 2.538 20 0 GFADRO C[C@@]1(C(=O)NC[C@H]2CCN(c3ccc(Br)cc3)C2)CCCC[NH2+]1 ZINC000237590093 553079246 /nfs/dbraw/zinc/07/92/46/553079246.db2.gz WGNWFCZHTLSCDA-KDOFPFPSSA-N 1 0 380.330 2.924 20 0 GFADRO C[C@H]1Cc2cc(S(=O)(=O)N3CCC([NH2+]CC4CC4)CC3)cc(Cl)c2O1 ZINC000237564112 553079627 /nfs/dbraw/zinc/07/96/27/553079627.db2.gz KNLNNMFEUCZOTE-LBPRGKRZSA-N 1 0 384.929 2.816 20 0 GFADRO Cc1cc(C(=O)N2CCC[C@H](C[NH3+])C2)nn1-c1ccc(Br)cc1 ZINC000237695545 553080667 /nfs/dbraw/zinc/08/06/67/553080667.db2.gz XAQLAVGXLOXNLF-CYBMUJFWSA-N 1 0 377.286 2.754 20 0 GFADRO O=C(NC[C@@H]1CCC[NH2+]C1)c1nn(-c2ccc(F)cc2)cc1Br ZINC000237701835 553080733 /nfs/dbraw/zinc/08/07/33/553080733.db2.gz XUJPZCRCXRLPRV-LLVKDONJSA-N 1 0 381.249 2.503 20 0 GFADRO O=S(=O)(Cc1ccc(Cl)c(Cl)c1)NCCC[NH2+]Cc1cccnc1 ZINC000237745616 553081187 /nfs/dbraw/zinc/08/11/87/553081187.db2.gz SHACICJUEGOYHX-UHFFFAOYSA-N 1 0 388.320 2.988 20 0 GFADRO O=C(CCOc1ccc(Cl)cc1Br)NC[C@H]1CCC[NH2+]C1 ZINC000237761449 553081564 /nfs/dbraw/zinc/08/15/64/553081564.db2.gz JZSNYHPWYFWMJC-NSHDSACASA-N 1 0 375.694 2.987 20 0 GFADRO Cc1c(C(=O)N[C@H]2CCC[C@H]2C[NH3+])cnn1-c1ccc(Br)cc1 ZINC000237849638 553082802 /nfs/dbraw/zinc/08/28/02/553082802.db2.gz JLWWBESBBIWBJI-LRDDRELGSA-N 1 0 377.286 2.800 20 0 GFADRO [NH3+]C[C@H](C(=O)N[C@@H]1CCN(c2ccccc2Br)C1)c1ccccc1 ZINC000237831463 553082934 /nfs/dbraw/zinc/08/29/34/553082934.db2.gz BLURHCGRFTZHFG-CVEARBPZSA-N 1 0 388.309 2.887 20 0 GFADRO O=C(NCC[C@H]1CCC[NH2+]C1)c1ccc(I)c(F)c1 ZINC000237911351 553084137 /nfs/dbraw/zinc/08/41/37/553084137.db2.gz RFOWJMNJWDKYFX-SNVBAGLBSA-N 1 0 376.213 2.550 20 0 GFADRO [NH3+]Cc1ccc(C(=O)Nc2cc(Br)ccc2N2CCOCC2)cc1 ZINC000237991775 553084754 /nfs/dbraw/zinc/08/47/54/553084754.db2.gz QPSQHTBLGRNLLJ-UHFFFAOYSA-N 1 0 390.281 2.997 20 0 GFADRO [NH3+][C@@H]1CCN(C(=O)c2nn(-c3ccc(Br)cc3)c3c2CCCC3)C1 ZINC000237983691 553084775 /nfs/dbraw/zinc/08/47/75/553084775.db2.gz HCKGLKVXQJZDTR-CYBMUJFWSA-N 1 0 389.297 2.687 20 0 GFADRO CN(C[C@@H]1COc2ccccc2O1)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000245785667 553096882 /nfs/dbraw/zinc/09/68/82/553096882.db2.gz MUPLTIVTCNSLIU-RHSMWYFYSA-N 1 0 391.265 2.747 20 0 GFADRO O=C(C[N@H+](C[C@@H]1CCCO1)[C@H]1CCSC1)NCCc1ccc(Cl)cc1 ZINC000245851688 553098525 /nfs/dbraw/zinc/09/85/25/553098525.db2.gz JJCIBPNMJOFSOS-ROUUACIJSA-N 1 0 382.957 2.985 20 0 GFADRO COCCO[C@@H]1CCC[N@H+](C[C@@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000245993047 553100254 /nfs/dbraw/zinc/10/02/54/553100254.db2.gz XECNWZZESHAYMQ-ZIAGYGMSSA-N 1 0 378.296 2.861 20 0 GFADRO Cc1cccc(S(=O)(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c1Br ZINC000246153407 553103295 /nfs/dbraw/zinc/10/32/95/553103295.db2.gz BIGXBPGNXLLFIO-UONOGXRCSA-N 1 0 387.343 2.862 20 0 GFADRO COC(=O)[C@H](C)C[N@H+](C)[C@H](C)C(=O)N(C)Cc1ccc(Br)cc1 ZINC000246333633 553106259 /nfs/dbraw/zinc/10/62/59/553106259.db2.gz IIRYETZFMIOQHO-CHWSQXEVSA-N 1 0 385.302 2.537 20 0 GFADRO O=C([C@@H]1C[C@@H]1c1cccc(Br)c1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000246460044 553107796 /nfs/dbraw/zinc/10/77/96/553107796.db2.gz MYTOYQRAOIUBQO-ZTFGCOKTSA-N 1 0 393.325 2.733 20 0 GFADRO C[C@@H]1C[NH+](CCC2CCN(C(=O)C[C@H]3CSCCS3)CC2)C[C@@H](C)O1 ZINC000246503348 553108806 /nfs/dbraw/zinc/10/88/06/553108806.db2.gz BHPNBHNUHGWIOU-NUJGCVRESA-N 1 0 386.627 2.963 20 0 GFADRO COC(=O)C[C@@H]1CCC[N@@H+]1CC(=O)N[C@H](C)c1ccc(Br)cc1 ZINC000246549829 553109376 /nfs/dbraw/zinc/10/93/76/553109376.db2.gz KIWJUMYGSWIPMA-DOMZBBRYSA-N 1 0 383.286 2.654 20 0 GFADRO C[C@H](O)CN1CCN(C(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)C[C@H]1C ZINC000246620455 553110430 /nfs/dbraw/zinc/11/04/30/553110430.db2.gz DAWLAINRNZPCDC-AGIUHOORSA-N 1 0 375.296 2.674 20 0 GFADRO CC[C@@H]1CN(C(=O)[C@H](C)Oc2ccccc2Br)CC[N@@H+]1C[C@H](C)O ZINC000246684304 553111302 /nfs/dbraw/zinc/11/13/02/553111302.db2.gz BCILWEOTGWJLLN-SOUVJXGZSA-N 1 0 399.329 2.520 20 0 GFADRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(Br)cn2)[C@@H](C)C1 ZINC000246778260 553112721 /nfs/dbraw/zinc/11/27/21/553112721.db2.gz LPOIUBPMRIEGQV-DZGCQCFKSA-N 1 0 384.318 2.711 20 0 GFADRO O[C@H](COc1c(Cl)cccc1Cl)C[N@@H+]1CCS[C@@H]2COCC[C@@H]21 ZINC000246793484 553113520 /nfs/dbraw/zinc/11/35/20/553113520.db2.gz IWAMXEPDRDFZRH-TUKIKUTGSA-N 1 0 378.321 2.939 20 0 GFADRO CC(=O)N1CC[C@H](C[N@@H+](C)[C@@H](C)C(=O)Nc2cccc(Br)c2)C1 ZINC000246839751 553114072 /nfs/dbraw/zinc/11/40/72/553114072.db2.gz QJQMRCAXVYLFTD-GXTWGEPZSA-N 1 0 382.302 2.576 20 0 GFADRO COC(=O)[C@H](C)C[N@H+](C)C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000246941619 553115794 /nfs/dbraw/zinc/11/57/94/553115794.db2.gz BCEFYHPSNNHMBG-ZYHUDNBSSA-N 1 0 394.693 2.583 20 0 GFADRO CCOc1cc(CN2CCS[C@H](C)[C@H]2C)nc2nc(C(F)(F)F)nn21 ZINC000247008821 553117451 /nfs/dbraw/zinc/11/74/51/553117451.db2.gz PXJYRUOQYWKSQU-NXEZZACHSA-N 1 0 375.420 2.868 20 0 GFADRO NC(=O)[C@H]([NH2+][C@H]1CCO[C@@]2(CCSC2)C1)c1ccc(Br)cc1 ZINC000247063698 553117853 /nfs/dbraw/zinc/11/78/53/553117853.db2.gz VELPFUVQBPXYDJ-LZWOXQAQSA-N 1 0 385.327 2.620 20 0 GFADRO O=C(CC[N@@H+]1CCS[C@@H]2COCC[C@H]21)Nc1ccc(Br)cc1 ZINC000247080481 553117965 /nfs/dbraw/zinc/11/79/65/553117965.db2.gz WOUWHRVPNCQNKZ-HUUCEWRRSA-N 1 0 385.327 2.984 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)C(=O)CNC(=O)c2ccc(Cl)c(Cl)c2)[C@@H](C)C1 ZINC000247539779 553123536 /nfs/dbraw/zinc/12/35/36/553123536.db2.gz XXQPTSVAYIYZAT-LRDDRELGSA-N 1 0 386.323 2.912 20 0 GFADRO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)NCCSC(F)(F)F ZINC000247563658 553124093 /nfs/dbraw/zinc/12/40/93/553124093.db2.gz VFLKJZDMUVZIOX-TZMCWYRMSA-N 1 0 376.448 2.844 20 0 GFADRO Cc1ccc(Br)c(S(=O)(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000247690606 553124952 /nfs/dbraw/zinc/12/49/52/553124952.db2.gz QZJNGFXUTXYABF-QWHCGFSZSA-N 1 0 375.332 2.861 20 0 GFADRO C[C@H](C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1)[N@@H+]1CC[C@@H](C)[C@@H]1C ZINC000248343660 553128456 /nfs/dbraw/zinc/12/84/56/553128456.db2.gz KOZUYFGTENRBKQ-FRRDWIJNSA-N 1 0 387.933 2.648 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2ccc(OCC(F)F)cc2)[C@@H](C)C1 ZINC000248465633 553129695 /nfs/dbraw/zinc/12/96/95/553129695.db2.gz RTGWHIDNHZVXRP-XJKSGUPXSA-N 1 0 376.469 2.681 20 0 GFADRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)c3ccc(Cl)c(I)c3)C[C@H]12 ZINC000248556815 553130924 /nfs/dbraw/zinc/13/09/24/553130924.db2.gz ABAQXLWOGOTVJM-GBIKHYSHSA-N 1 0 390.652 2.754 20 0 GFADRO C[S@](=O)C[C@@H]([NH2+]C[C@@H](O)COCc1ccccc1Cl)c1ccccc1 ZINC000248593191 553130938 /nfs/dbraw/zinc/13/09/38/553130938.db2.gz RWXJQXHJZKDJHV-IZJXBPLLSA-N 1 0 381.925 2.927 20 0 GFADRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)c3cc(Cl)ccc3I)C[C@H]12 ZINC000248565432 553130967 /nfs/dbraw/zinc/13/09/67/553130967.db2.gz BPICNFDVUKNLBM-LJUAHTATSA-N 1 0 390.652 2.754 20 0 GFADRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)c3ccc(Cl)c(I)c3)C[C@H]12 ZINC000248556824 553131117 /nfs/dbraw/zinc/13/11/17/553131117.db2.gz ABAQXLWOGOTVJM-OUJBWJOFSA-N 1 0 390.652 2.754 20 0 GFADRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)c3cc(Cl)ccc3I)C[C@H]12 ZINC000248565434 553131236 /nfs/dbraw/zinc/13/12/36/553131236.db2.gz BPICNFDVUKNLBM-YDEJPDAXSA-N 1 0 390.652 2.754 20 0 GFADRO C[C@@H](NC(=O)N1CC[N@@H+](C[C@H](C)O)[C@H](C)C1)c1ccc(Br)cc1 ZINC000248621336 553132057 /nfs/dbraw/zinc/13/20/57/553132057.db2.gz NAAWJSXPBCVQOA-HZSPNIEDSA-N 1 0 384.318 2.607 20 0 GFADRO COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C)C[C@H]1C ZINC000248894806 553136854 /nfs/dbraw/zinc/13/68/54/553136854.db2.gz TWCAIASEXWFULA-QMTHXVAHSA-N 1 0 388.295 2.739 20 0 GFADRO CCO[C@@H]1C[C@]([NH3+])(C(=O)NC[C@H](C)Oc2ccccc2Br)C1(C)C ZINC000249072280 553138790 /nfs/dbraw/zinc/13/87/90/553138790.db2.gz LPEVMXIZKILWTQ-PNPHSEOMSA-N 1 0 399.329 2.865 20 0 GFADRO COC(=O)[C@@H]1CC[N@H+](C[C@@H](O)COc2c(Cl)cccc2Cl)C[C@@H]1C ZINC000249073924 553139087 /nfs/dbraw/zinc/13/90/87/553139087.db2.gz LLFXKVYSGLVNGA-YNEHKIRRSA-N 1 0 376.280 2.864 20 0 GFADRO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000249474444 553143719 /nfs/dbraw/zinc/14/37/19/553143719.db2.gz HJURAQCUVFLCEJ-IPYPFGDCSA-N 1 0 390.933 2.502 20 0 GFADRO CC[N@H+](C)C[C@@H]1CCN([C@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000253350470 553150959 /nfs/dbraw/zinc/15/09/59/553150959.db2.gz SPWJRWMVGUNONQ-YOEHRIQHSA-N 1 0 380.330 2.828 20 0 GFADRO C[C@]1(C[NH3+])CCN(C(=O)c2ccc(I)c(Cl)c2)C1 ZINC000261587128 553153278 /nfs/dbraw/zinc/15/32/78/553153278.db2.gz UVXPKNXJNKSSDQ-CYBMUJFWSA-N 1 0 378.641 2.756 20 0 GFADRO O=C(c1ccc(I)c(Cl)c1)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261575766 553153543 /nfs/dbraw/zinc/15/35/43/553153543.db2.gz BTGACFYRKYCOPP-WDEREUQCSA-N 1 0 390.652 2.626 20 0 GFADRO CN(CC1(c2ccc(Br)cc2)CC1)C(=O)[C@@H]([NH3+])C1CCOCC1 ZINC000261614068 553154150 /nfs/dbraw/zinc/15/41/50/553154150.db2.gz BPQBDSHZKKONHZ-INIZCTEOSA-N 1 0 381.314 2.693 20 0 GFADRO O=C(c1cc(Cl)ccc1I)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261627453 553154513 /nfs/dbraw/zinc/15/45/13/553154513.db2.gz VLGLSGVPUWISSL-ZJUUUORDSA-N 1 0 390.652 2.626 20 0 GFADRO C[C@H]([NH3+])C1CCN(S(=O)(=O)c2c(Cl)cccc2Br)CC1 ZINC000261627082 553154701 /nfs/dbraw/zinc/15/47/01/553154701.db2.gz ASSIVSYFMHGMJO-VIFPVBQESA-N 1 0 381.723 2.850 20 0 GFADRO CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)[C@@H]([NH3+])C1CCOCC1 ZINC000261645013 553155040 /nfs/dbraw/zinc/15/50/40/553155040.db2.gz DTLBIRBNUJHYPF-HNNXBMFYSA-N 1 0 388.295 2.534 20 0 GFADRO C[C@]([NH3+])(C(=O)N[C@@H]1[C@H]2CCCO[C@@H]2C1(C)C)c1ccc(Br)cc1 ZINC000261693209 553156423 /nfs/dbraw/zinc/15/64/23/553156423.db2.gz HTSUSEMHMXZKHL-ZXFNITATSA-N 1 0 381.314 2.943 20 0 GFADRO CC(C)(C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1cccc(Cl)c1 ZINC000261713894 553157352 /nfs/dbraw/zinc/15/73/52/553157352.db2.gz BZPICGIRFGWXRO-CQSZACIVSA-N 1 0 377.838 2.570 20 0 GFADRO COc1cc(C(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)cc(OC)c1Br ZINC000261746101 553157873 /nfs/dbraw/zinc/15/78/73/553157873.db2.gz IQTSGNDHYWXUFG-TXEJJXNPSA-N 1 0 383.286 2.538 20 0 GFADRO CC1(C)[C@@H]2OCCC[C@H]2[C@@]1([NH3+])C(=O)NCc1cc(F)ccc1Br ZINC000261814989 553159863 /nfs/dbraw/zinc/15/98/63/553159863.db2.gz GVIFNRRVDJBPCT-SUYBPPKGSA-N 1 0 385.277 2.737 20 0 GFADRO Cn1nccc1C1CCN(C(=O)[C@@](C)([NH3+])c2ccc(Br)cc2)CC1 ZINC000261825956 553160446 /nfs/dbraw/zinc/16/04/46/553160446.db2.gz TUCCLQXRVBTCPO-SFHVURJKSA-N 1 0 391.313 2.763 20 0 GFADRO C[C@@]1(C[NH3+])CCN(S(=O)(=O)c2c(Cl)cc(F)cc2Br)C1 ZINC000261854925 553160915 /nfs/dbraw/zinc/16/09/15/553160915.db2.gz RUHKFZCZPVACTJ-LBPRGKRZSA-N 1 0 385.686 2.601 20 0 GFADRO Brc1cc2c(cc1CN1CC[NH2+]C[C@@H]1c1cccnc1)OCCO2 ZINC000261850927 553161106 /nfs/dbraw/zinc/16/11/06/553161106.db2.gz VIUPKUGMWVEHJL-MRXNPFEDSA-N 1 0 390.281 2.762 20 0 GFADRO [NH3+][C@H](CNC(=O)CCc1ncc(-c2ccccc2Br)o1)C1CC1 ZINC000261979088 553163965 /nfs/dbraw/zinc/16/39/65/553163965.db2.gz VXCKALZEKWFBSW-CQSZACIVSA-N 1 0 378.270 2.890 20 0 GFADRO C[NH2+]CCC1CCN(C(=O)C[C@H]2Sc3ccc(Cl)cc3NC2=O)CC1 ZINC000261997530 553164215 /nfs/dbraw/zinc/16/42/15/553164215.db2.gz FVIJYFJAFROEAE-MRXNPFEDSA-N 1 0 381.929 2.991 20 0 GFADRO [NH3+]CC1(C(=O)N2CCO[C@@H](c3cc(F)c(Cl)cc3Cl)C2)CCOCC1 ZINC000262043655 553164506 /nfs/dbraw/zinc/16/45/06/553164506.db2.gz YXDSUSXDGNNDAY-OAHLLOKOSA-N 1 0 391.270 2.788 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H]2CN(Cc3ccc(Br)cc3N3CCOCC3)C[C@H]21 ZINC000262040526 553164538 /nfs/dbraw/zinc/16/45/38/553164538.db2.gz YGXKRAMEKSXBLI-ZTFGCOKTSA-N 1 0 394.357 2.845 20 0 GFADRO COc1ccc(CNC(=O)[C@](C)([NH3+])c2ccc(Br)cc2)cc1OC ZINC000262019360 553164740 /nfs/dbraw/zinc/16/47/40/553164740.db2.gz YMLAFZRFIGZSOS-GOSISDBHSA-N 1 0 393.281 2.957 20 0 GFADRO Brc1ccc(CN2C[C@H]3CCC[C@@H](C2)[NH2+]3)c(N2CCOCC2)c1 ZINC000262053968 553165120 /nfs/dbraw/zinc/16/51/20/553165120.db2.gz ZWXOFJLVGPSGFE-CALCHBBNSA-N 1 0 380.330 2.612 20 0 GFADRO Cc1c(C(=O)N2CC[C@](C)(C[NH3+])C2)cnn1-c1ccc(Br)cc1 ZINC000262082471 553165314 /nfs/dbraw/zinc/16/53/14/553165314.db2.gz TYMYHGMGIWNSHN-QGZVFWFLSA-N 1 0 377.286 2.754 20 0 GFADRO C[C@H](C[NH3+])C(=O)Nc1ccc(-c2sc(CC(N)=O)cc2Br)cc1 ZINC000262301379 553168749 /nfs/dbraw/zinc/16/87/49/553168749.db2.gz BOGQOSYVYGGXFY-SECBINFHSA-N 1 0 396.310 2.739 20 0 GFADRO O=C(Cc1csc(-c2cccc(Br)c2)n1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000262466014 553171535 /nfs/dbraw/zinc/17/15/35/553171535.db2.gz NSYWXOQIKGGWGT-BETUJISGSA-N 1 0 392.322 2.793 20 0 GFADRO C[NH2+]CCC(=O)N[C@H](c1ccc(Cl)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000262509558 553172084 /nfs/dbraw/zinc/17/20/84/553172084.db2.gz JLKVXZQAHOJANB-GOSISDBHSA-N 1 0 380.897 2.559 20 0 GFADRO C[C@@H](CC(=O)N1CCC(n2cc(Br)cn2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000262654400 553173341 /nfs/dbraw/zinc/17/33/41/553173341.db2.gz WNDOGXLEFUCYJO-UONOGXRCSA-N 1 0 383.334 2.835 20 0 GFADRO CC(=O)N[C@H](CC(=O)N[C@H]1CCCC[C@H]1C[NH3+])c1ccc(Br)cc1 ZINC000262638919 553173410 /nfs/dbraw/zinc/17/34/10/553173410.db2.gz RAOVSMJBDXCKNK-BHYGNILZSA-N 1 0 396.329 2.650 20 0 GFADRO O=C(c1ccc(I)cc1Cl)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262645292 553173459 /nfs/dbraw/zinc/17/34/59/553173459.db2.gz SHQFMMOHWLUCQJ-MNOVXSKESA-N 1 0 390.652 2.911 20 0 GFADRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 ZINC000262701881 553174193 /nfs/dbraw/zinc/17/41/93/553174193.db2.gz AWRHSKNRSGEWRM-RLCCDNCMSA-N 1 0 384.307 2.712 20 0 GFADRO CC(C)(C[NH3+])NS(=O)(=O)c1csc(-c2ccc(Br)cc2)n1 ZINC000262738370 553174714 /nfs/dbraw/zinc/17/47/14/553174714.db2.gz HXODXYMXDANNKF-UHFFFAOYSA-N 1 0 390.328 2.588 20 0 GFADRO C[C@@H]1[C@H](C)[NH2+]CCN1S(=O)(=O)c1c(Cl)cc(F)cc1Br ZINC000262816683 553176583 /nfs/dbraw/zinc/17/65/83/553176583.db2.gz ZIWKMCRLHDLHNZ-JGVFFNPUSA-N 1 0 385.686 2.613 20 0 GFADRO CCOc1cc(Br)c(CC(=O)N2CC[NH2+][C@H](C)[C@@H]2C)cc1OCC ZINC000262850349 553177317 /nfs/dbraw/zinc/17/73/17/553177317.db2.gz ZMVKUQHSTGDCED-OLZOCXBDSA-N 1 0 399.329 2.998 20 0 GFADRO [NH3+][C@@H](CC(=O)N1CCC(n2cc(Br)cn2)CC1)c1ccccc1 ZINC000263319735 553186416 /nfs/dbraw/zinc/18/64/16/553186416.db2.gz IOMGXGSOQKIVGF-INIZCTEOSA-N 1 0 377.286 2.899 20 0 GFADRO Cc1ccc([C@@H](CNC(=O)Cn2cc(Br)cn2)[NH+]2CCCC2)o1 ZINC000263657736 553190426 /nfs/dbraw/zinc/19/04/26/553190426.db2.gz CGLMJEZSHGSGKC-CQSZACIVSA-N 1 0 381.274 2.500 20 0 GFADRO CC[NH+](CC)CCNC(=O)C1(c2ccc(Br)cc2)CCOCC1 ZINC000263700072 553191328 /nfs/dbraw/zinc/19/13/28/553191328.db2.gz OMEUUZDLINGRRM-UHFFFAOYSA-N 1 0 383.330 2.955 20 0 GFADRO COCC[NH2+]CCNC(=O)NCc1ccc(Br)cc1C(F)(F)F ZINC000417942598 563892365 /nfs/dbraw/zinc/89/23/65/563892365.db2.gz AEWVYICQDRYAFK-UHFFFAOYSA-N 1 0 398.223 2.503 20 0 GFADRO CC(C)(C)[C@@H](O)C[C@@H](CO)[NH2+]Cc1ccc(F)cc1I ZINC000418040326 563896523 /nfs/dbraw/zinc/89/65/23/563896523.db2.gz IUQBEOVWDBMJRI-JSGCOSHPSA-N 1 0 395.256 2.678 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)NCc2cc(F)c(F)cc2Br)C1 ZINC000418189176 563900773 /nfs/dbraw/zinc/90/07/73/563900773.db2.gz XHBJPMFQBZDOOS-VHSXEESVSA-N 1 0 376.245 2.996 20 0 GFADRO Cn1cc(I)c(C[NH2+][C@@H]2CCC[C@@H]([C@H]3CCOC3)C2)n1 ZINC000449607226 564192834 /nfs/dbraw/zinc/19/28/34/564192834.db2.gz WXBUDZMGTQHTTN-FRRDWIJNSA-N 1 0 389.281 2.710 20 0 GFADRO C[NH+](C)CC(C)(C)CNC(=O)c1cc(Br)cnc1OCC1CC1 ZINC000506022891 564195423 /nfs/dbraw/zinc/19/54/23/564195423.db2.gz YVKAPHMQNCAEFJ-UHFFFAOYSA-N 1 0 384.318 2.951 20 0 GFADRO CN1CCC([NH2+]C[C@H](O)COc2ccc(Cl)cc2Br)CC1 ZINC000563529291 564195514 /nfs/dbraw/zinc/19/55/14/564195514.db2.gz YHQIUSMUNNSYES-ZDUSSCGKSA-N 1 0 377.710 2.526 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)c2ccc(I)cc2F)C[N@@H+]1C1CC1 ZINC000450074556 564216118 /nfs/dbraw/zinc/21/61/18/564216118.db2.gz LPRPZJVWUFYKBL-MWLCHTKSSA-N 1 0 388.224 2.785 20 0 GFADRO O=C(NCCC[C@H]1CCC[NH2+]1)c1cc(F)ccc1I ZINC000564838195 564251798 /nfs/dbraw/zinc/25/17/98/564251798.db2.gz BVDGVWBPBCZREW-LLVKDONJSA-N 1 0 376.213 2.692 20 0 GFADRO CC[NH+](CC)CCOCCNS(=O)(=O)Cc1ccc(Cl)cc1Cl ZINC000541827983 564290873 /nfs/dbraw/zinc/29/08/73/564290873.db2.gz YRUCEFZQDAATIE-UHFFFAOYSA-N 1 0 383.341 2.771 20 0 GFADRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)Cc1ccc(Br)s1 ZINC000511118385 564357985 /nfs/dbraw/zinc/35/79/85/564357985.db2.gz CACLAIQVHLFRRR-GFCCVEGCSA-N 1 0 375.332 2.622 20 0 GFADRO O=C(N[C@@H](CO)C[NH+]1CCCCC1)c1cc(F)c(Br)cc1Cl ZINC000512354337 564398832 /nfs/dbraw/zinc/39/88/32/564398832.db2.gz AVZOCJGOTQAKDC-SNVBAGLBSA-N 1 0 393.684 2.818 20 0 GFADRO C[NH+](C)C1(CNc2ncc(I)cn2)Cc2ccccc2C1 ZINC000545207994 564413211 /nfs/dbraw/zinc/41/32/11/564413211.db2.gz DHAGJRRTQAJVFO-UHFFFAOYSA-N 1 0 394.260 2.592 20 0 GFADRO COCC[NH2+]C1CCN(C(=O)Nc2cc(F)cc(F)c2Br)CC1 ZINC000568757694 564432953 /nfs/dbraw/zinc/43/29/53/564432953.db2.gz HADPQUHOXHDLKJ-UHFFFAOYSA-N 1 0 392.244 2.960 20 0 GFADRO CC[C@H](CNS(C)(=O)=O)[NH2+][C@@H]1C[C@H](C)c2c1cccc2Br ZINC000453283230 564452053 /nfs/dbraw/zinc/45/20/53/564452053.db2.gz MJLFGSDOVNUKLQ-MISXGVKJSA-N 1 0 375.332 2.915 20 0 GFADRO [NH3+][C@@H]1CCC[C@H](CNC(=O)N(CCO)Cc2cc(Br)cs2)C1 ZINC000418725798 563223517 /nfs/dbraw/zinc/22/35/17/563223517.db2.gz PDQZCPKCICYYNN-WCQYABFASA-N 1 0 390.347 2.532 20 0 GFADRO O=C(Cc1ccccc1I)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000370805815 563256351 /nfs/dbraw/zinc/25/63/51/563256351.db2.gz JQNOESFYZBFDTB-ZIAGYGMSSA-N 1 0 384.261 2.577 20 0 GFADRO CC1CC[NH+](CCCNCc2ncc(I)s2)CC1 ZINC000310660747 563434670 /nfs/dbraw/zinc/43/46/70/563434670.db2.gz VBUPPNYQRAPQGU-UHFFFAOYSA-N 1 0 379.311 2.959 20 0 GFADRO C[NH+](C)C[C@H]1CCCN1S(=O)(=O)c1c(Cl)cccc1Br ZINC000312327413 563436935 /nfs/dbraw/zinc/43/69/35/563436935.db2.gz IJQFEMREWHRGIA-SNVBAGLBSA-N 1 0 381.723 2.817 20 0 GFADRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)CSCc1ccc(Br)cc1F ZINC000427597392 563469963 /nfs/dbraw/zinc/46/99/63/563469963.db2.gz UIVIRSCWQYZFBB-YGRLFVJLSA-N 1 0 375.307 2.936 20 0 GFADRO CN(C(=O)c1cc(Cl)ccc1I)C1(C[NH3+])CCC1 ZINC000385378904 563517961 /nfs/dbraw/zinc/51/79/61/563517961.db2.gz YQPSMLXUCAQZKN-UHFFFAOYSA-N 1 0 378.641 2.898 20 0 GFADRO COCCOC1(C[NH2+]Cc2cc(Br)ccc2F)CCOCC1 ZINC000294690017 563212993 /nfs/dbraw/zinc/21/29/93/563212993.db2.gz CFJHWDOANFNLKH-UHFFFAOYSA-N 1 0 376.266 2.890 20 0 GFADRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)NCCc1c[nH]c2cccc(Br)c12 ZINC000418197976 563213640 /nfs/dbraw/zinc/21/36/40/563213640.db2.gz KPSKFWPBDFVSTG-NHYWBVRUSA-N 1 0 379.302 2.770 20 0 GFADRO CC(C)c1nnc(CNCc2ccc(Br)cc2N2CCOCC2)[nH]1 ZINC000294731497 563214489 /nfs/dbraw/zinc/21/44/89/563214489.db2.gz GKFBMNKBWMVITR-UHFFFAOYSA-N 1 0 394.317 2.817 20 0 GFADRO O=C(N[C@@H]1CCc2c1ccc(F)c2Br)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000418254115 563215114 /nfs/dbraw/zinc/21/51/14/563215114.db2.gz QGBNAXDEBSUGKY-UEKVPHQBSA-N 1 0 382.277 2.826 20 0 GFADRO O=C(NCCC[NH2+]C1CC1)N1CCO[C@H](c2cccc(Br)c2)C1 ZINC000418297362 563215330 /nfs/dbraw/zinc/21/53/30/563215330.db2.gz HTTFCTWRJATTAL-INIZCTEOSA-N 1 0 382.302 2.674 20 0 GFADRO CC[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)NCCC[NH3+])CC1 ZINC000418314288 563215518 /nfs/dbraw/zinc/21/55/18/563215518.db2.gz SAAJHMFAOIWBQU-INIZCTEOSA-N 1 0 383.334 2.576 20 0 GFADRO O=C(NCCC[NH2+]C1CC1)N[C@@H](CO)c1ccc(Cl)cc1C(F)(F)F ZINC000418301312 563215705 /nfs/dbraw/zinc/21/57/05/563215705.db2.gz OKTPTGXRFQIUNQ-AWEZNQCLSA-N 1 0 379.810 2.834 20 0 GFADRO O=C(NC1CC[NH2+]CC1)N1CCN(CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000418308811 563215736 /nfs/dbraw/zinc/21/57/36/563215736.db2.gz NDVYILMSDRNDME-UHFFFAOYSA-N 1 0 385.339 2.615 20 0 GFADRO [NH3+]C[C@H](NC(=O)N1CCC[C@H]1c1ccccc1I)C1CC1 ZINC000418391145 563216308 /nfs/dbraw/zinc/21/63/08/563216308.db2.gz BUJAHZQFMTVVHZ-GJZGRUSLSA-N 1 0 399.276 2.875 20 0 GFADRO [NH3+]C[C@@H](NC(=O)N[C@H](CO)c1ccc(Br)cc1)C1CCCCC1 ZINC000418390289 563216560 /nfs/dbraw/zinc/21/65/60/563216560.db2.gz URSCUENICZWIMO-HZPDHXFCSA-N 1 0 384.318 2.689 20 0 GFADRO Cc1ccc(-n2nc(Br)cc2C(=O)N[C@@H]2CC[NH2+]C[C@H]2C)cc1 ZINC000277628331 563217504 /nfs/dbraw/zinc/21/75/04/563217504.db2.gz RGLWUQQXIDFNCU-TZMCWYRMSA-N 1 0 377.286 2.671 20 0 GFADRO CCCC[C@H](C[NH3+])NC(=O)N(CCO)Cc1cc(Br)cs1 ZINC000418470903 563217714 /nfs/dbraw/zinc/21/77/14/563217714.db2.gz QZCAEJXICTTYIM-GFCCVEGCSA-N 1 0 378.336 2.532 20 0 GFADRO CC(C)C[C@H](C[NH3+])NC(=O)N1CCO[C@H](c2cccc(Br)c2)C1 ZINC000418442155 563217786 /nfs/dbraw/zinc/21/77/86/563217786.db2.gz MRBWYABZGHTWDP-CVEARBPZSA-N 1 0 384.318 2.905 20 0 GFADRO C[C@H]([NH3+])c1ccc(CNC(=O)N(C)CCn2cc(Br)cn2)cc1 ZINC000418455123 563218038 /nfs/dbraw/zinc/21/80/38/563218038.db2.gz CYIACVOXMCKTLN-LBPRGKRZSA-N 1 0 380.290 2.507 20 0 GFADRO C[N@@H+]1CC[C@H](CNC(=O)c2ccc(S(C)(=O)=O)cc2)[C@H]1c1cccs1 ZINC000369570620 563218230 /nfs/dbraw/zinc/21/82/30/563218230.db2.gz SCHKQUYKASRLQZ-PBHICJAKSA-N 1 0 378.519 2.574 20 0 GFADRO CC[C@H](c1ccc(Br)cc1)N1CCN(C(=O)NC[C@@H](C)C[NH3+])CC1 ZINC000418495315 563218569 /nfs/dbraw/zinc/21/85/69/563218569.db2.gz UEDGWTVZDUCWMM-WMLDXEAASA-N 1 0 397.361 2.822 20 0 GFADRO [NH3+]C1(CNC(=O)N2CCO[C@@H](c3ccc(F)c(Br)c3)C2)CCC1 ZINC000418513849 563219340 /nfs/dbraw/zinc/21/93/40/563219340.db2.gz SUMCLMKPJKOLOE-CQSZACIVSA-N 1 0 386.265 2.553 20 0 GFADRO C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)NCC2([NH3+])CCC2)CC1 ZINC000418531458 563219651 /nfs/dbraw/zinc/21/96/51/563219651.db2.gz XEXCAXYDDAFWGQ-CQSZACIVSA-N 1 0 395.345 2.719 20 0 GFADRO CC[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)N[C@@H](C)C[NH3+])CC1 ZINC000418573072 563220171 /nfs/dbraw/zinc/22/01/71/563220171.db2.gz UBAUHSYVIBOIML-BBRMVZONSA-N 1 0 383.334 2.575 20 0 GFADRO CC(C)(COc1ncccc1Br)NC(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000418561805 563220196 /nfs/dbraw/zinc/22/01/96/563220196.db2.gz ZLJGURDMTPYEND-QGZVFWFLSA-N 1 0 399.333 2.690 20 0 GFADRO Cc1[nH+]c2ccc(Br)cc2c(NC[C@]2(O)CCS(=O)(=O)C2)c1C ZINC000294880595 563220231 /nfs/dbraw/zinc/22/02/31/563220231.db2.gz FCLQNCUUEVCMOL-MRXNPFEDSA-N 1 0 399.310 2.576 20 0 GFADRO O=C(NCc1ccc2c(c1)C[NH2+]C2)N[C@H](CO)c1cccc(Br)c1 ZINC000418551226 563220282 /nfs/dbraw/zinc/22/02/82/563220282.db2.gz IHNNTBLQPZEMJQ-QGZVFWFLSA-N 1 0 390.281 2.585 20 0 GFADRO Cc1ccc(CN(C[C@@H]2CCCO2)C(=O)N[C@@H](C)C[NH3+])c(Br)c1 ZINC000418613935 563221694 /nfs/dbraw/zinc/22/16/94/563221694.db2.gz JAVGQQMFHQRDMM-ZFWWWQNUSA-N 1 0 384.318 2.795 20 0 GFADRO C[N@H+]1C[C@H]2CN(C(=O)[C@H]3C[C@]34CCc3cc(Br)ccc34)C[C@H]2C1 ZINC000369705597 563221959 /nfs/dbraw/zinc/22/19/59/563221959.db2.gz ZNBKOIKIWRBXNU-AHMDFLBRSA-N 1 0 375.310 2.673 20 0 GFADRO O=C(N[C@H](CCO)c1ccccc1Br)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000418659054 563222049 /nfs/dbraw/zinc/22/20/49/563222049.db2.gz LBGOKAJNRKNBPV-USXIJHARSA-N 1 0 396.329 2.560 20 0 GFADRO Cc1cc(C2CCN(C(=O)N[C@@H]3[C@H]4C[NH2+]C[C@H]43)CC2)ccc1Br ZINC000418666501 563222218 /nfs/dbraw/zinc/22/22/18/563222218.db2.gz DUONTVZFUDORKL-QLPKVWCKSA-N 1 0 378.314 2.864 20 0 GFADRO COCCN(Cc1cc(Br)cs1)C(=O)N[C@H](C)CCC[NH3+] ZINC000418693970 563222915 /nfs/dbraw/zinc/22/29/15/563222915.db2.gz VHRUMYKQCYRNOS-LLVKDONJSA-N 1 0 378.336 2.796 20 0 GFADRO CCC[NH2+]CCNC(=O)C(=O)N[C@@H](c1cccs1)c1ccc(Cl)cc1 ZINC000418761115 563225067 /nfs/dbraw/zinc/22/50/67/563225067.db2.gz KLFKRFISXLCKAX-MRXNPFEDSA-N 1 0 379.913 2.723 20 0 GFADRO Cc1cc([C@@H]2CCCN2C(=O)NC[C@H]2C[NH2+]CCN2C)ccc1Br ZINC000418765908 563225224 /nfs/dbraw/zinc/22/52/24/563225224.db2.gz PIEVJVYUVJPULA-WBVHZDCISA-N 1 0 395.345 2.508 20 0 GFADRO CN1CC[NH2+]C[C@H]1CNC(=O)N1CCC(Sc2ccc(Cl)cc2)CC1 ZINC000418769697 563225277 /nfs/dbraw/zinc/22/52/77/563225277.db2.gz UDFMIJHUGPSYQD-HNNXBMFYSA-N 1 0 382.961 2.510 20 0 GFADRO [NH3+]C[C@H]1CCCC[C@H]1NC(=O)C(=O)N[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000418814063 563226746 /nfs/dbraw/zinc/22/67/46/563226746.db2.gz FJCJQEJEXCBDRZ-NOXHYTERSA-N 1 0 384.307 2.599 20 0 GFADRO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N[C@@H](C)c1cc(F)c(Cl)cc1Cl ZINC000418848513 563227486 /nfs/dbraw/zinc/22/74/86/563227486.db2.gz LMNUTAOLOSVOHU-VHSXEESVSA-N 1 0 376.259 2.520 20 0 GFADRO O=C(N[C@@H]1CCC[NH2+]CC1)[C@@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 ZINC000369947067 563228524 /nfs/dbraw/zinc/22/85/24/563228524.db2.gz VOHPTVMCXDEHSA-CVEARBPZSA-N 1 0 384.307 2.856 20 0 GFADRO CC[NH+](CC)CC[C@H](CO)Nc1nc(C(F)(F)F)c(Br)s1 ZINC000418931232 563230878 /nfs/dbraw/zinc/23/08/78/563230878.db2.gz CYYYILDNNBXKDN-MRVPVSSYSA-N 1 0 390.269 3.429 20 0 GFADRO OCCC[N@@H+]1CCC[C@@H](Nc2nc(C(F)(F)F)c(Br)s2)C1 ZINC000418959275 563231518 /nfs/dbraw/zinc/23/15/18/563231518.db2.gz ZBPDHYBFAIDWLM-MRVPVSSYSA-N 1 0 388.253 3.183 20 0 GFADRO C[C@H](CO)[N@@H+]1CCCN(c2nc(C(F)(F)F)c(Br)s2)CC1 ZINC000418948682 563231756 /nfs/dbraw/zinc/23/17/56/563231756.db2.gz NIUNTQRFQNDOFI-MRVPVSSYSA-N 1 0 388.253 2.817 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)NCCCc1ccc(Cl)cc1Cl ZINC000419044486 563233220 /nfs/dbraw/zinc/23/32/20/563233220.db2.gz UIMSQXMIMHQKQA-BLLLJJGKSA-N 1 0 386.323 2.771 20 0 GFADRO Cn1cc([C@H]2C[N@H+](Cc3ccnc(Br)c3)CC23CCOCC3)cn1 ZINC000295172105 563233461 /nfs/dbraw/zinc/23/34/61/563233461.db2.gz QFGMDDLIVKAOHO-MRXNPFEDSA-N 1 0 391.313 2.974 20 0 GFADRO C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCc3c2ccc(Cl)c3Cl)C[C@@H]1C[NH3+] ZINC000419105793 563233898 /nfs/dbraw/zinc/23/38/98/563233898.db2.gz VEWRDOVXNQANMW-ZETOZRRWSA-N 1 0 384.307 2.540 20 0 GFADRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)N[C@@H]1CCc2c1ccc(Cl)c2Cl ZINC000419108252 563233942 /nfs/dbraw/zinc/23/39/42/563233942.db2.gz XJFXFSUHTIDTFZ-NZVBXONLSA-N 1 0 384.307 2.731 20 0 GFADRO C[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000419279019 563236169 /nfs/dbraw/zinc/23/61/69/563236169.db2.gz IHTHJLPOHZTZQE-MEDUHNTESA-N 1 0 386.323 2.674 20 0 GFADRO COC(=O)CNC(=O)[C@@H]1CCC[N@@H+]1CC/C=C/c1ccc(Br)cc1 ZINC000419344451 563237760 /nfs/dbraw/zinc/23/77/60/563237760.db2.gz HYYZMPGJBAHGHX-AUYOJAJCSA-N 1 0 395.297 2.606 20 0 GFADRO CCC[C@@](C)(O)C[NH2+]Cc1cc(Br)ccc1O[C@@H](C)C(=O)NC ZINC000295245268 563238399 /nfs/dbraw/zinc/23/83/99/563238399.db2.gz TVGQDHBGOHKPFW-YVEFUNNKSA-N 1 0 387.318 2.603 20 0 GFADRO COC(=O)[C@H](NC1CC[NH+](Cc2cccc(Br)c2)CC1)C1CC1 ZINC000419356466 563238597 /nfs/dbraw/zinc/23/85/97/563238597.db2.gz ODDSPMJCFHWKTB-QGZVFWFLSA-N 1 0 381.314 2.955 20 0 GFADRO CS(=O)(=O)N1CC[C@H](C[N@@H+]2CCC[C@@H]2c2ccc(Br)s2)C1 ZINC000370285374 563239293 /nfs/dbraw/zinc/23/92/93/563239293.db2.gz LZVPWMJGCHBZGW-VXGBXAGGSA-N 1 0 393.372 2.929 20 0 GFADRO CS(=O)(=O)N1CC[C@H](C[N@@H+]2CCC[C@H]2c2ccc(Br)s2)C1 ZINC000370285371 563239495 /nfs/dbraw/zinc/23/94/95/563239495.db2.gz LZVPWMJGCHBZGW-NEPJUHHUSA-N 1 0 393.372 2.929 20 0 GFADRO O=C(Cc1sccc1Br)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000295283863 563240676 /nfs/dbraw/zinc/24/06/76/563240676.db2.gz MWSPPCUEEZSOBV-ZDUSSCGKSA-N 1 0 387.343 2.624 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)NC[C@@H](C)c2c(Cl)cccc2Cl)C1 ZINC000419520435 563241281 /nfs/dbraw/zinc/24/12/81/563241281.db2.gz QGEQCRRHSXJPDD-UPJWGTAASA-N 1 0 386.323 2.799 20 0 GFADRO Cc1ccc([C@@H](CNC(=O)Cc2cc[nH]c(=O)c2Br)[NH+](C)C)cc1 ZINC000278116584 563241437 /nfs/dbraw/zinc/24/14/37/563241437.db2.gz LHVUKNYCZATXMJ-OAHLLOKOSA-N 1 0 392.297 2.820 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)N[C@H](C)Cc2c(Cl)cccc2Cl)C1 ZINC000419554155 563242015 /nfs/dbraw/zinc/24/20/15/563242015.db2.gz GUMSAAQZUQWUDC-UPJWGTAASA-N 1 0 386.323 2.626 20 0 GFADRO C[C@H](C[NH3+])CNC(=O)C(=O)N[C@@H](C)c1ccc(-c2ccc(Cl)cc2)s1 ZINC000419610209 563242947 /nfs/dbraw/zinc/24/29/47/563242947.db2.gz FSKYKFLBOVRJDX-NEPJUHHUSA-N 1 0 379.913 2.957 20 0 GFADRO COc1cc(Br)c(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1OC ZINC000295364429 563244050 /nfs/dbraw/zinc/24/40/50/563244050.db2.gz RGVQBTLEBJJBFC-NEPJUHHUSA-N 1 0 383.286 2.775 20 0 GFADRO Cn1ncc(Br)c1C(=O)Nc1ccccc1NC1CC[NH+](C)CC1 ZINC000295394308 563245205 /nfs/dbraw/zinc/24/52/05/563245205.db2.gz YSHOYQICJSOJOZ-UHFFFAOYSA-N 1 0 392.301 2.941 20 0 GFADRO CC(C)(C(=O)N[C@@H]1CCC[N@H+](CCCO)C1)c1ccccc1Br ZINC000295397791 563245309 /nfs/dbraw/zinc/24/53/09/563245309.db2.gz IEUOMVMWKDKAQC-CQSZACIVSA-N 1 0 383.330 2.690 20 0 GFADRO Cc1c(Br)cccc1NC(=O)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000278262617 563247212 /nfs/dbraw/zinc/24/72/12/563247212.db2.gz WPRPVKXIRWACQS-UHFFFAOYSA-N 1 0 394.313 2.687 20 0 GFADRO COC[C@@H](C)OC[C@@H](O)C[N@@H+]1CCc2sc(-c3csc(C)n3)cc2C1 ZINC000278258664 563247620 /nfs/dbraw/zinc/24/76/20/563247620.db2.gz GTQWUEXPYAQCFO-DOMZBBRYSA-N 1 0 382.551 2.951 20 0 GFADRO COc1cc(F)cc(C[C@H](C)[NH2+]Cc2ccc(S(N)(=O)=O)c(Cl)c2)c1 ZINC000419722030 563248032 /nfs/dbraw/zinc/24/80/32/563248032.db2.gz AXQOQZCRMQLISD-NSHDSACASA-N 1 0 386.876 2.856 20 0 GFADRO C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000295482418 563249823 /nfs/dbraw/zinc/24/98/23/563249823.db2.gz YUFCFZLRMKSTIL-UWVGGRQHSA-N 1 0 385.251 2.876 20 0 GFADRO O=c1cccc2n1C[C@H]1C[C@@H]2C[N@H+](C[C@H](O)c2ccc(Br)cc2)C1 ZINC000295491913 563250168 /nfs/dbraw/zinc/25/01/68/563250168.db2.gz GYSQGNNDQZPABM-JOQOYGCGSA-N 1 0 389.293 2.764 20 0 GFADRO CC[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000419760682 563250346 /nfs/dbraw/zinc/25/03/46/563250346.db2.gz ZZEPOULVCBOWQO-PEYYIBSZSA-N 1 0 386.323 2.545 20 0 GFADRO CCN(CC)S(=O)(=O)c1ccc(CC[NH2+]Cc2ccc(F)nc2C)s1 ZINC000278348162 563250811 /nfs/dbraw/zinc/25/08/11/563250811.db2.gz HPCRZJYTPOYVDP-UHFFFAOYSA-N 1 0 385.530 2.953 20 0 GFADRO CCN(Cc1ccccc1Br)C(=O)C(=O)NCC1([NH3+])CCCCC1 ZINC000419799601 563250952 /nfs/dbraw/zinc/25/09/52/563250952.db2.gz DWMOVPFLXOWJMV-UHFFFAOYSA-N 1 0 396.329 2.575 20 0 GFADRO C[NH+](C)C1(CNC(=O)C(=O)Nc2cccnc2-c2ccc(Cl)s2)CC1 ZINC000419797946 563251004 /nfs/dbraw/zinc/25/10/04/563251004.db2.gz VZPKRHHGWXSGMO-UHFFFAOYSA-N 1 0 378.885 2.612 20 0 GFADRO CC(C)CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)NCC1C[NH2+]C1 ZINC000419942967 563253977 /nfs/dbraw/zinc/25/39/77/563253977.db2.gz HYVCSLUMZRWNMJ-UHFFFAOYSA-N 1 0 386.323 2.704 20 0 GFADRO O=C(CCc1cccc(Br)c1)NC[C@H]1CCC[C@@H]1[NH+]1CCOCC1 ZINC000370755957 563254170 /nfs/dbraw/zinc/25/41/70/563254170.db2.gz CNZVUKLEPDNWFG-AEFFLSMTSA-N 1 0 395.341 2.999 20 0 GFADRO C[NH+](C)CC[C@@](C)(O)CNC(=O)c1cc(Cl)cc(F)c1Br ZINC000419969612 563254599 /nfs/dbraw/zinc/25/45/99/563254599.db2.gz AEVUYRWGJHODNK-CQSZACIVSA-N 1 0 381.673 2.674 20 0 GFADRO Cc1cccc([C@@H](C[NH2+]Cc2c(Br)cnn2C)N2CCOCC2)c1 ZINC000278433604 563254995 /nfs/dbraw/zinc/25/49/95/563254995.db2.gz SJNLTOISUHDTIU-QGZVFWFLSA-N 1 0 393.329 2.654 20 0 GFADRO C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N(C1CC1)C1CC[NH2+]CC1 ZINC000370785494 563255481 /nfs/dbraw/zinc/25/54/81/563255481.db2.gz FIGGGLHHOYCVOZ-NSHDSACASA-N 1 0 384.307 2.855 20 0 GFADRO O=C(NCC[C@H]1CCC[NH2+]C1)C1CCN(C(=O)c2ccc(Cl)s2)CC1 ZINC000370792964 563255490 /nfs/dbraw/zinc/25/54/90/563255490.db2.gz FODRODRCNMOYDP-CYBMUJFWSA-N 1 0 383.945 2.760 20 0 GFADRO COCC[C@@]1(C(=O)Nc2ccc(I)cc2C)CC[NH2+]C1 ZINC000370792661 563255504 /nfs/dbraw/zinc/25/55/04/563255504.db2.gz BILRDUZQRJSQQS-HNNXBMFYSA-N 1 0 388.249 2.554 20 0 GFADRO C[NH+](C)CC[C@@](C)(O)CNC(=O)c1cc(F)c(Br)c(Cl)c1 ZINC000420002726 563255837 /nfs/dbraw/zinc/25/58/37/563255837.db2.gz TUBXCDZUDPUJIJ-CQSZACIVSA-N 1 0 381.673 2.674 20 0 GFADRO O=C(N[C@@H]1CCCC[NH2+]C1)C(=O)N(Cc1ccc(Cl)c(Cl)c1)C1CC1 ZINC000420005474 563255802 /nfs/dbraw/zinc/25/58/02/563255802.db2.gz WLUBMVQTMDWHSZ-CYBMUJFWSA-N 1 0 384.307 2.743 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2S(=O)(=O)c1ccc(C(C)(C)C)s1 ZINC000370817663 563256167 /nfs/dbraw/zinc/25/61/67/563256167.db2.gz XFFCGNWXJYHENP-RBSFLKMASA-N 1 0 386.583 2.918 20 0 GFADRO COCC[NH+]1CCC(NC(=O)N[C@H](C)c2nc(C(F)(F)F)cs2)CC1 ZINC000278455773 563256289 /nfs/dbraw/zinc/25/62/89/563256289.db2.gz OARHDXOHMUABPW-SNVBAGLBSA-N 1 0 380.436 2.633 20 0 GFADRO Cc1ccc([C@@H](C[NH2+]Cc2c(Br)cnn2C)N2CCOCC2)cc1 ZINC000278447998 563256370 /nfs/dbraw/zinc/25/63/70/563256370.db2.gz VSWYNYHDHYYPQS-QGZVFWFLSA-N 1 0 393.329 2.654 20 0 GFADRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000420110048 563257904 /nfs/dbraw/zinc/25/79/04/563257904.db2.gz ZCVXUEOHHABFDQ-XFBWCDHKSA-N 1 0 384.307 2.771 20 0 GFADRO CCC([NH3+])(CC)CNC(=O)C(=O)N(C)[C@@H](C)c1ccccc1Br ZINC000420082391 563258121 /nfs/dbraw/zinc/25/81/21/563258121.db2.gz QIPAFVLSRUJNDF-LBPRGKRZSA-N 1 0 384.318 2.602 20 0 GFADRO [NH3+]C[C@H]1CC[C@H](NC(=O)C(=O)N(Cc2ccc(Cl)c(Cl)c2)C2CC2)C1 ZINC000420185434 563259422 /nfs/dbraw/zinc/25/94/22/563259422.db2.gz BSCCZBKNJUMASA-AAEUAGOBSA-N 1 0 384.307 2.728 20 0 GFADRO Ic1cccc2ncnc(N3CCC[C@]4(CC[NH2+]C4)C3)c12 ZINC000420250713 563260937 /nfs/dbraw/zinc/26/09/37/563260937.db2.gz KHMUAWOMAYZSQQ-MRXNPFEDSA-N 1 0 394.260 2.814 20 0 GFADRO Ic1ccc2ncnc(N3CCC[C@@]4(CC[NH2+]C4)C3)c2c1 ZINC000420251109 563261346 /nfs/dbraw/zinc/26/13/46/563261346.db2.gz KWFPYOWHWUFOTA-INIZCTEOSA-N 1 0 394.260 2.814 20 0 GFADRO O=C(CN1CCCC[C@H]1[C@@H]1CC[NH2+]C1)Nc1ccc(Br)cc1F ZINC000420402046 563262813 /nfs/dbraw/zinc/26/28/13/563262813.db2.gz PWZTXIPWGZHRSW-WBMJQRKESA-N 1 0 384.293 2.991 20 0 GFADRO C[C@H](NC(=O)CN1CCC[C@]2(CC[NH2+]C2)C1)c1ccc(Br)cc1 ZINC000420374373 563262891 /nfs/dbraw/zinc/26/28/91/563262891.db2.gz NRFBPPAZFXSJHP-KBXCAEBGSA-N 1 0 380.330 2.702 20 0 GFADRO C[C@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)N1CCCO[C@H](C[NH3+])C1 ZINC000420381471 563262930 /nfs/dbraw/zinc/26/29/30/563262930.db2.gz CTWFWJSOJLYARA-ZYHUDNBSSA-N 1 0 379.810 2.735 20 0 GFADRO C[C@@H](NC(=O)CN1CCC[C@]2(CC[NH2+]C2)C1)c1ccc(Br)cc1 ZINC000420374376 563263172 /nfs/dbraw/zinc/26/31/72/563263172.db2.gz NRFBPPAZFXSJHP-RDTXWAMCSA-N 1 0 380.330 2.702 20 0 GFADRO CC1(C)C[NH2+]CC[C@@H]1NS(=O)(=O)c1ccc(Cl)cc1Br ZINC000420458614 563264408 /nfs/dbraw/zinc/26/44/08/563264408.db2.gz JDOBLBZRTPMTQK-LBPRGKRZSA-N 1 0 381.723 2.769 20 0 GFADRO Cc1cc(Br)cc(C)c1S(=O)(=O)N[C@@H]1CC[NH2+]CC1(C)C ZINC000420464361 563264439 /nfs/dbraw/zinc/26/44/39/563264439.db2.gz OXPHLIMDBPFTMX-CYBMUJFWSA-N 1 0 375.332 2.732 20 0 GFADRO Cc1cc(S(=O)(=O)N2CC[C@@H](C)[C@@H](C[NH3+])C2)c(F)cc1Br ZINC000420472135 563265077 /nfs/dbraw/zinc/26/50/77/563265077.db2.gz BRWXLVKLUKLIHO-KOLCDFICSA-N 1 0 379.295 2.502 20 0 GFADRO COc1ccc(Cl)cc1S(=O)(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1 ZINC000420468427 563265224 /nfs/dbraw/zinc/26/52/24/563265224.db2.gz FWXQUPHPRLQOJI-DZGCQCFKSA-N 1 0 384.860 2.603 20 0 GFADRO C[C@@H]1CN(S(=O)(=O)c2cc(Br)ccc2Cl)C[C@@]1(C)C[NH3+] ZINC000420485012 563266084 /nfs/dbraw/zinc/26/60/84/563266084.db2.gz YWJOAARMTBOYCC-NOZJJQNGSA-N 1 0 381.723 2.708 20 0 GFADRO COCCC[C@H]([NH2+]CCN1CCC(O)CC1)c1ccc(Br)cc1 ZINC000295881603 563266947 /nfs/dbraw/zinc/26/69/47/563266947.db2.gz HAPJBBGXZNGFPT-SFHVURJKSA-N 1 0 385.346 2.963 20 0 GFADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1CC(=O)Nc1ccccc1Br ZINC000278707962 563267814 /nfs/dbraw/zinc/26/78/14/563267814.db2.gz QRCMYUPQBABAHI-CQSZACIVSA-N 1 0 396.329 2.573 20 0 GFADRO COc1cc(C[NH2+]C[C@@]2(O)CCO[C@H]2C)cc(Br)c1OC(F)F ZINC000278778391 563269756 /nfs/dbraw/zinc/26/97/56/563269756.db2.gz YVNXQFRTENMZMU-VFZGTOFNSA-N 1 0 396.228 2.689 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)[C@H]1CCC[N@@H+]1C1CC1 ZINC000278809100 563271139 /nfs/dbraw/zinc/27/11/39/563271139.db2.gz XECCRRQRILZXDB-MRXNPFEDSA-N 1 0 394.313 2.829 20 0 GFADRO C[C@H](COc1ccc(Cl)c(Cl)c1)[NH2+]C1CCC2(CC1)NC(=O)NC2=O ZINC000296057308 563272720 /nfs/dbraw/zinc/27/27/20/563272720.db2.gz PANOGLDFQBSCSD-LJRHVDQYSA-N 1 0 386.279 2.871 20 0 GFADRO C[N@@H+]1CCC[C@]2(CCN(C(=O)c3nc(C4CC4)ncc3Br)C2)C1 ZINC000296108633 563275458 /nfs/dbraw/zinc/27/54/58/563275458.db2.gz BFJFUHQMTCNFPP-KRWDZBQOSA-N 1 0 379.302 2.674 20 0 GFADRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1S(=O)(=O)c1cc(F)ccc1OC(F)F ZINC000420704070 563276683 /nfs/dbraw/zinc/27/66/83/563276683.db2.gz HOTQOCSOEGLVED-YPMHNXCESA-N 1 0 378.416 2.674 20 0 GFADRO COC[C@@H]([NH2+]CC(=O)N(C)Cc1ccc(Cl)c(Cl)c1)[C@H]1CCCO1 ZINC000279042575 563281979 /nfs/dbraw/zinc/28/19/79/563281979.db2.gz JMIWVJYLZFFNGB-HZPDHXFCSA-N 1 0 375.296 2.735 20 0 GFADRO C[NH+](C)C[C@H]1CCN(C(=O)N[C@H]2CCN(c3cccc(Br)c3)C2)C1 ZINC000279065739 563282703 /nfs/dbraw/zinc/28/27/03/563282703.db2.gz QLODWXCAYPSKLL-ZBFHGGJFSA-N 1 0 395.345 2.621 20 0 GFADRO COC[C@H]([NH2+]CC(=O)Nc1ccc(Br)cc1Cl)[C@H]1CCCO1 ZINC000279086329 563282932 /nfs/dbraw/zinc/28/29/32/563282932.db2.gz ORNFLYGKZSATIC-UONOGXRCSA-N 1 0 391.693 2.825 20 0 GFADRO COc1ccc2c(c1)C[C@@H]([NH2+]Cc1ccc(S(C)(=O)=O)c(Cl)c1)CO2 ZINC000296318378 563283171 /nfs/dbraw/zinc/28/31/71/563283171.db2.gz FQOVMIIGOGWKLN-CQSZACIVSA-N 1 0 381.881 2.845 20 0 GFADRO CCCC(=O)N1CSC[C@H]1C(=O)NC1CC[NH+](Cc2ccsc2)CC1 ZINC000371663884 563284643 /nfs/dbraw/zinc/28/46/43/563284643.db2.gz NQEFJRKCRBIMLP-INIZCTEOSA-N 1 0 381.567 2.530 20 0 GFADRO C[NH+](C)C1CCC(NC(=O)NCc2cn3cc(Br)ccc3n2)CC1 ZINC000420826996 563287333 /nfs/dbraw/zinc/28/73/33/563287333.db2.gz UZKXAWCJOKSLKA-UHFFFAOYSA-N 1 0 394.317 2.769 20 0 GFADRO Cc1nccc(CN2CCC[C@H](NCc3ccccc3Br)C2=O)n1 ZINC000371952029 563292137 /nfs/dbraw/zinc/29/21/37/563292137.db2.gz BPDKLCKJVBUEEX-KRWDZBQOSA-N 1 0 389.297 2.828 20 0 GFADRO COC[C@H](C)OC[C@H](O)C[N@@H+]1CCC[C@@H]1Cc1ccccc1Br ZINC000420972347 563292489 /nfs/dbraw/zinc/29/24/89/563292489.db2.gz LVFXYDUAGQBQGI-USXIJHARSA-N 1 0 386.330 2.868 20 0 GFADRO OCC[C@H]1CCC[N@H+](C[C@H](O)COc2cc(F)cc(Br)c2)CC1 ZINC000421021977 563293215 /nfs/dbraw/zinc/29/32/15/563293215.db2.gz UCROOFULRNEILT-BBRMVZONSA-N 1 0 390.293 2.812 20 0 GFADRO CC[C@H](C)[C@H](C[NH2+][C@H](C)c1ccc(Br)c(S(N)(=O)=O)c1)OC ZINC000296595228 563293662 /nfs/dbraw/zinc/29/36/62/563293662.db2.gz VGBZCXZSTIIAQZ-WDMOLILDSA-N 1 0 393.347 2.808 20 0 GFADRO CS(=O)(=O)c1ccc(-c2nc(C[NH2+][C@H]3CCC[C@H]3CCO)cs2)cc1 ZINC000279345459 563293859 /nfs/dbraw/zinc/29/38/59/563293859.db2.gz VDRJNHBSCRKJMI-GUYCJALGSA-N 1 0 380.535 2.854 20 0 GFADRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)Nc1ccc(S(C)(=O)=O)c(C(F)F)c1 ZINC000421082106 563295430 /nfs/dbraw/zinc/29/54/30/563295430.db2.gz BXGXSWZAFNSMPA-GFCCVEGCSA-N 1 0 375.441 2.586 20 0 GFADRO C[C@H]1C[NH+](CCCNC(=O)c2c[nH]c3ncc(Br)cc23)C[C@H](C)O1 ZINC000279525350 563299809 /nfs/dbraw/zinc/29/98/09/563299809.db2.gz TZFWTWABADNNJC-RYUDHWBXSA-N 1 0 395.301 2.555 20 0 GFADRO COCCC[N@@H+]1CCCN(C(=O)c2cc(OC)c(Br)s2)CC1 ZINC000372288535 563301002 /nfs/dbraw/zinc/30/10/02/563301002.db2.gz RXYJKEJWOXIDNP-UHFFFAOYSA-N 1 0 391.331 2.704 20 0 GFADRO O=C(NCCC[NH2+][C@H]1CCS(=O)(=O)c2c(F)cccc21)c1cccs1 ZINC000372353255 563303358 /nfs/dbraw/zinc/30/33/58/563303358.db2.gz DHXRUPOFKJOKFN-AWEZNQCLSA-N 1 0 382.482 2.515 20 0 GFADRO COc1ccc(F)cc1C[NH2+]C1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000372408810 563305212 /nfs/dbraw/zinc/30/52/12/563305212.db2.gz NOHTXEBICJISEP-UHFFFAOYSA-N 1 0 384.498 2.839 20 0 GFADRO CCCN1C[C@@H](C[NH2+]Cc2cc(OC)c(OC)cc2Br)CC1=O ZINC000421345324 563308005 /nfs/dbraw/zinc/30/80/05/563308005.db2.gz ANTNTCQOPCNXIP-GFCCVEGCSA-N 1 0 385.302 2.814 20 0 GFADRO CN(CCc1ccc(Br)cc1)C(=O)[C@]1([NH3+])[C@@H]2CCCO[C@@H]2C1(C)C ZINC000372565441 563310902 /nfs/dbraw/zinc/31/09/02/563310902.db2.gz BHEWNZKMZWMGGG-JTDSTZFVSA-N 1 0 395.341 2.983 20 0 GFADRO CN(CCc1ccc(Br)cc1)C(=O)[C@]1([NH3+])[C@H]2CCCO[C@H]2C1(C)C ZINC000372565414 563311373 /nfs/dbraw/zinc/31/13/73/563311373.db2.gz BHEWNZKMZWMGGG-FRQCXROJSA-N 1 0 395.341 2.983 20 0 GFADRO C[C@H](CS(=O)(=O)c1ccccc1)[NH2+]C1CCN(Cc2cscn2)CC1 ZINC000372586037 563312056 /nfs/dbraw/zinc/31/20/56/563312056.db2.gz SINKLTKQIJRJHH-OAHLLOKOSA-N 1 0 379.551 2.560 20 0 GFADRO Cc1cc(Br)oc1C(=O)N1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000372625977 563312463 /nfs/dbraw/zinc/31/24/63/563312463.db2.gz PXVLUYRRDMKUCO-CQSZACIVSA-N 1 0 384.318 2.593 20 0 GFADRO C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]CC1(S(C)(=O)=O)CCC1 ZINC000279871551 563313793 /nfs/dbraw/zinc/31/37/93/563313793.db2.gz TZEYPBRDZYSBKY-AWEZNQCLSA-N 1 0 386.945 2.634 20 0 GFADRO CN(C(=O)C[C@@H]1CSCC[NH2+]1)[C@H](c1ccc(Cl)cc1)c1ncccn1 ZINC000372769955 563316801 /nfs/dbraw/zinc/31/68/01/563316801.db2.gz QILLXVPTSVYJQU-NVXWUHKLSA-N 1 0 376.913 2.773 20 0 GFADRO Cc1cc(F)c(Br)cc1NC(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000372773842 563317251 /nfs/dbraw/zinc/31/72/51/563317251.db2.gz WFNWHIFGXGMSFH-NWDGAFQWSA-N 1 0 398.276 2.578 20 0 GFADRO C[NH+](C)C1CCC(NC(=O)Cc2ccccc2I)CC1 ZINC000421679343 563318743 /nfs/dbraw/zinc/31/87/43/563318743.db2.gz JRPGWRJLRYZJBQ-UHFFFAOYSA-N 1 0 386.277 2.823 20 0 GFADRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)c1nn(-c2ccc(F)cc2)cc1Br ZINC000421703886 563319672 /nfs/dbraw/zinc/31/96/72/563319672.db2.gz NGQMZTHGBYOOIU-CQSZACIVSA-N 1 0 395.276 2.940 20 0 GFADRO CN(C[C@@H](O)c1ccccc1Br)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000297224300 563320203 /nfs/dbraw/zinc/32/02/03/563320203.db2.gz XWAMVSUMUBWROV-CXAGYDPISA-N 1 0 396.329 2.608 20 0 GFADRO [NH3+]CC1CCN(C(=O)[C@@H]2CCCN2C(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000297287133 563322157 /nfs/dbraw/zinc/32/21/57/563322157.db2.gz UOSHUHGVLWJHOB-INIZCTEOSA-N 1 0 384.307 2.795 20 0 GFADRO C[C@H](CN[C@@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl)[N@H+](C)C1CC1 ZINC000280093792 563322454 /nfs/dbraw/zinc/32/24/54/563322454.db2.gz MPYZVDZBVGMZRU-ZJUUUORDSA-N 1 0 380.341 2.774 20 0 GFADRO O=C(c1ccc(I)cc1Cl)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000372928297 563322697 /nfs/dbraw/zinc/32/26/97/563322697.db2.gz ZSUIIRZOBHAXFO-RNCFNFMXSA-N 1 0 390.652 2.769 20 0 GFADRO COc1cc(Cl)ccc1[C@@H](C)[NH2+]C[C@H](O)CS(=O)(=O)c1cccs1 ZINC000421832882 563322728 /nfs/dbraw/zinc/32/27/28/563322728.db2.gz IABUJRGJBTVASU-YPMHNXCESA-N 1 0 389.926 2.896 20 0 GFADRO C[C@@H](Cc1ccc(F)cc1Cl)[NH2+]Cc1ccc(S(=O)(=O)CCO)cc1 ZINC000421844729 563323255 /nfs/dbraw/zinc/32/32/55/563323255.db2.gz ULYTXPSKBBBIFT-ZDUSSCGKSA-N 1 0 385.888 2.966 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)C(=O)N1CCC[C@H]([NH+](C)C)CC1 ZINC000372942195 563323672 /nfs/dbraw/zinc/32/36/72/563323672.db2.gz KUCCYBVHKOPHQP-AWEZNQCLSA-N 1 0 382.302 2.639 20 0 GFADRO O=C(CCCc1ccc(Br)s1)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000372945119 563323809 /nfs/dbraw/zinc/32/38/09/563323809.db2.gz GSFYBDYWVTZAEN-STQMWFEESA-N 1 0 387.343 2.813 20 0 GFADRO C[C@H]([NH2+]CCc1cccc(OCC(F)(F)F)c1)C1CCS(=O)(=O)CC1 ZINC000280151687 563324359 /nfs/dbraw/zinc/32/43/59/563324359.db2.gz DTKAGEXYZNGDOT-ZDUSSCGKSA-N 1 0 379.444 2.973 20 0 GFADRO CC[C@H](NC(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)[C@@H](O)C(F)F ZINC000297359305 563325056 /nfs/dbraw/zinc/32/50/56/563325056.db2.gz VCTDZMJWXGILCB-AEGPPILISA-N 1 0 375.485 2.664 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+]C[C@H](CO)[C@H]1CCOC1 ZINC000280174827 563325568 /nfs/dbraw/zinc/32/55/68/563325568.db2.gz BULHTWUPIWISIZ-GOEBONIOSA-N 1 0 394.313 2.678 20 0 GFADRO OC[C@@H](C[NH2+]Cc1cc(Br)ccc1OC(F)F)[C@@H]1CCOC1 ZINC000280177178 563325968 /nfs/dbraw/zinc/32/59/68/563325968.db2.gz BYYZQIAAGOUDHV-ZYHUDNBSSA-N 1 0 380.229 2.785 20 0 GFADRO [NH3+]C[C@H](NC(=O)[C@H]1CCCN1c1ncc(C(F)(F)F)cc1Cl)C1CC1 ZINC000373089250 563328579 /nfs/dbraw/zinc/32/85/79/563328579.db2.gz VJEFIDPNMXSZFU-QWHCGFSZSA-N 1 0 376.810 2.576 20 0 GFADRO COC[C@@H]([NH2+]C1CCN(S(=O)(=O)c2cccs2)CC1)c1ccccc1 ZINC000373138052 563329795 /nfs/dbraw/zinc/32/97/95/563329795.db2.gz HDWHCLNBPGJZBA-QGZVFWFLSA-N 1 0 380.535 2.879 20 0 GFADRO OC[C@@H](C[NH2+]Cc1ccc(Br)c(Br)c1)[C@H]1CCOC1 ZINC000280280169 563330572 /nfs/dbraw/zinc/33/05/72/563330572.db2.gz LOGXEDYJAFDUIT-NWDGAFQWSA-N 1 0 393.119 2.946 20 0 GFADRO NC(=O)c1ncn(C2CC[NH+](CCc3cccc(Cl)c3Cl)CC2)c1N ZINC000297605002 563330780 /nfs/dbraw/zinc/33/07/80/563330780.db2.gz KEJHQRYJJMLGNI-UHFFFAOYSA-N 1 0 382.295 2.751 20 0 GFADRO COC(=O)c1cc(NC(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)ccc1Br ZINC000373220633 563332037 /nfs/dbraw/zinc/33/20/37/563332037.db2.gz XQAAAPQDPFYYDD-CHWSQXEVSA-N 1 0 396.285 2.984 20 0 GFADRO C[N@H+](Cc1cc(Cl)ccc1OCC1CC1)C1CCN(S(C)(=O)=O)CC1 ZINC000280367507 563333555 /nfs/dbraw/zinc/33/35/55/563333555.db2.gz DKSXRDHFQYSNGX-UHFFFAOYSA-N 1 0 386.945 2.985 20 0 GFADRO C[C@@H]([NH2+]CC[C@H]1CCCCO1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000280391850 563334859 /nfs/dbraw/zinc/33/48/59/563334859.db2.gz AOMVSJUEEFMYHT-DGCLKSJQSA-N 1 0 391.331 2.706 20 0 GFADRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(=O)Nc2cc(Cl)c(N)c(Cl)c2)C1 ZINC000298030179 563342283 /nfs/dbraw/zinc/34/22/83/563342283.db2.gz FJNCIJOOZOYOOR-NSHDSACASA-N 1 0 387.311 2.751 20 0 GFADRO C[C@@H]1C[C@H](C)N(S(=O)(=O)c2cc(F)c(Br)cc2F)C[C@@H]1C[NH3+] ZINC000422553773 563342929 /nfs/dbraw/zinc/34/29/29/563342929.db2.gz KOFMBGIROAREOM-UTLUCORTSA-N 1 0 397.285 2.721 20 0 GFADRO Cc1cccc(S(=O)(=O)N2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)c1Br ZINC000422558726 563343433 /nfs/dbraw/zinc/34/34/33/563343433.db2.gz ZOEDTSJPFFUCKV-AGIUHOORSA-N 1 0 375.332 2.751 20 0 GFADRO C[C@H](NC(=O)NCCC[N@@H+]1CCCO[C@H](C)C1)c1ccc(Br)cn1 ZINC000280566200 563343907 /nfs/dbraw/zinc/34/39/07/563343907.db2.gz LHRHTSAZDDVOQZ-KGLIPLIRSA-N 1 0 399.333 2.705 20 0 GFADRO CC(C)(CC[NH3+])NC(=O)NCc1cnn(-c2ccc(Br)cc2)c1 ZINC000422613272 563344613 /nfs/dbraw/zinc/34/46/13/563344613.db2.gz COUNSMZDJAWQCE-UHFFFAOYSA-N 1 0 380.290 2.561 20 0 GFADRO C[C@@H]([NH2+]CCC(=O)Nc1sccc1C(N)=O)[C@H]1OCCc2sccc21 ZINC000298091122 563344911 /nfs/dbraw/zinc/34/49/11/563344911.db2.gz IDSAOYNAXJQZDC-MEBBXXQBSA-N 1 0 379.507 2.529 20 0 GFADRO CC(C)(CC[NH3+])NC(=O)NCc1ccc(Cl)cc1I ZINC000422624572 563345241 /nfs/dbraw/zinc/34/52/41/563345241.db2.gz ZWDVUFFGBDYFNJ-UHFFFAOYSA-N 1 0 395.672 2.871 20 0 GFADRO C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)N1CCC2(CC[NH2+]2)CC1 ZINC000422626296 563345492 /nfs/dbraw/zinc/34/54/92/563345492.db2.gz DQYCAMQMGUJVFR-AWEZNQCLSA-N 1 0 380.330 2.624 20 0 GFADRO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NCC(=O)Nc1ccc(Br)cc1 ZINC000422697037 563348650 /nfs/dbraw/zinc/34/86/50/563348650.db2.gz TXVBELQXIBXDIE-SUMWQHHRSA-N 1 0 376.298 2.936 20 0 GFADRO C[C@H](C[C@@H]1COCCN1)[NH2+]C[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000422895751 563350024 /nfs/dbraw/zinc/35/00/24/563350024.db2.gz GMSUMHWZDHJILP-BFYDXBDKSA-N 1 0 382.346 2.632 20 0 GFADRO Cn1ncc(Br)c1C[NH2+]CCCCn1cc(Br)cn1 ZINC000280717769 563351432 /nfs/dbraw/zinc/35/14/32/563351432.db2.gz XREYGBDSMHIAHE-UHFFFAOYSA-N 1 0 391.111 2.712 20 0 GFADRO CC(C)[C@H](C(=O)NCc1nnc2c(Cl)cc(C(F)(F)F)cn12)[C@@H](C)[NH3+] ZINC000422933889 563350407 /nfs/dbraw/zinc/35/04/07/563350407.db2.gz ISHUQJXEJOOYLW-PELKAZGASA-N 1 0 377.798 2.637 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)[C@H]1[NH2+]CCCC1(C)C ZINC000422929801 563350636 /nfs/dbraw/zinc/35/06/36/563350636.db2.gz ROCHUWDCEIOPFY-MRXNPFEDSA-N 1 0 396.329 2.933 20 0 GFADRO CC(C)[C@@H](C(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)[C@@H](C)[NH3+] ZINC000422930710 563350713 /nfs/dbraw/zinc/35/07/13/563350713.db2.gz VPDBNBBTXZZPOC-MLGOLLRUSA-N 1 0 387.933 2.682 20 0 GFADRO C[C@H](NC(=O)C(=O)N1CCC2(CC[NH2+]2)CC1)c1cc(F)c(Cl)cc1Cl ZINC000422956280 563351646 /nfs/dbraw/zinc/35/16/46/563351646.db2.gz PBVNJHLQMMOVFD-JTQLQIEISA-N 1 0 388.270 2.664 20 0 GFADRO Cc1ccc(C[NH2+][C@@H](C)c2ccc(Br)c(S(N)(=O)=O)c2)cn1 ZINC000280728575 563352106 /nfs/dbraw/zinc/35/21/06/563352106.db2.gz NWIXJJFHKYYVRY-NSHDSACASA-N 1 0 384.299 2.651 20 0 GFADRO C[C@@H]1CN(C(=O)C(=O)N(Cc2cccs2)Cc2cccs2)C[C@@H](C)[NH2+]1 ZINC000423012259 563353018 /nfs/dbraw/zinc/35/30/18/563353018.db2.gz CPQNJDFOTLAFOH-ZIAGYGMSSA-N 1 0 377.535 2.547 20 0 GFADRO [NH3+][C@@H](C(=O)NCC1(c2cccc(Br)c2)CCOCC1)C1CCC1 ZINC000423048639 563353032 /nfs/dbraw/zinc/35/30/32/563353032.db2.gz IZEPWJBJRRYWPJ-MRXNPFEDSA-N 1 0 381.314 2.741 20 0 GFADRO CCOC(=O)[C@H]1NCC[C@H]1[NH2+]Cc1ccc(Br)cc1C(F)(F)F ZINC000423022771 563353529 /nfs/dbraw/zinc/35/35/29/563353529.db2.gz IKULDCHBDCFWAW-OLZOCXBDSA-N 1 0 395.219 2.851 20 0 GFADRO COc1cc(Br)ccc1CCC[NH2+][C@H](C1CC1)[C@@H]1CNCCO1 ZINC000423036538 563353277 /nfs/dbraw/zinc/35/32/77/563353277.db2.gz UHCCSTKQFPRGCD-ZWKOTPCHSA-N 1 0 383.330 2.747 20 0 GFADRO Cc1cc(N2CC[C@@H](NC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2=O)ccc1Br ZINC000423052121 563353963 /nfs/dbraw/zinc/35/39/63/563353963.db2.gz PTPXFGALYNNLNE-DVJFUJMWSA-N 1 0 378.314 2.735 20 0 GFADRO CN(Cc1c(Cl)cccc1Cl)C(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000423096622 563355198 /nfs/dbraw/zinc/35/51/98/563355198.db2.gz HVIDHNRCHPHARU-MQIPJXDCSA-N 1 0 384.307 2.538 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)[C@@H]1C[C@@H](C)CC[NH2+]1 ZINC000423114318 563356302 /nfs/dbraw/zinc/35/63/02/563356302.db2.gz VENSYUAIETUFAV-NHYWBVRUSA-N 1 0 382.302 2.590 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)[C@@H](C(C)C)[C@@H](C)[NH3+] ZINC000423115931 563356383 /nfs/dbraw/zinc/35/63/83/563356383.db2.gz ZBFJSZHSYJDWJY-WBMJQRKESA-N 1 0 384.318 2.822 20 0 GFADRO Cc1cc(Br)oc1C(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000373955408 563356693 /nfs/dbraw/zinc/35/66/93/563356693.db2.gz VNDRQWVPYPGYEQ-AWEZNQCLSA-N 1 0 384.318 2.593 20 0 GFADRO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000423161919 563357808 /nfs/dbraw/zinc/35/78/08/563357808.db2.gz SSCIBKMCYPILKM-VBNZEHGJSA-N 1 0 384.307 2.538 20 0 GFADRO C[NH2+]C1CCN(C(=O)C(=O)N(Cc2ccc(Cl)c(Cl)c2)C2CC2)CC1 ZINC000423170366 563357945 /nfs/dbraw/zinc/35/79/45/563357945.db2.gz LSKUSLAQFRODCU-UHFFFAOYSA-N 1 0 384.307 2.695 20 0 GFADRO CC(C)C[C@@H](C[NH3+])N[C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000423260410 563359248 /nfs/dbraw/zinc/35/92/48/563359248.db2.gz HJHLSKSNUKTFBZ-JSGCOSHPSA-N 1 0 375.332 2.631 20 0 GFADRO CCn1ccnc1[C@@H](NC[C@H](C)C[NH3+])c1ccc(I)cc1 ZINC000423313951 563359274 /nfs/dbraw/zinc/35/92/74/563359274.db2.gz XMAJVANKQNUXBS-DOMZBBRYSA-N 1 0 398.292 2.781 20 0 GFADRO O=C(COC1CC[NH2+]CC1)NCc1cc(Cl)cc(Cl)c1OC(F)F ZINC000423249129 563359734 /nfs/dbraw/zinc/35/97/34/563359734.db2.gz OGQKWAWAXLQEMM-UHFFFAOYSA-N 1 0 383.222 2.980 20 0 GFADRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(CS(=O)(=O)NC(C)C)cc2)[C@@H]1SC ZINC000298569645 563360449 /nfs/dbraw/zinc/36/04/49/563360449.db2.gz WWEKZIWSESJQES-KURKYZTESA-N 1 0 386.583 2.513 20 0 GFADRO C[C@H](NC[C@]1(C)CCC[NH2+]C1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000423351821 563360614 /nfs/dbraw/zinc/36/06/14/563360614.db2.gz ZRJXXYWGHLRAOU-ZUZCIYMTSA-N 1 0 380.341 2.681 20 0 GFADRO [NH3+][C@@H]1C[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1cc(Cl)c(Br)cc1F ZINC000374089907 563361411 /nfs/dbraw/zinc/36/14/11/563361411.db2.gz YBLQQTKSTDXOHZ-PSVAKVPMSA-N 1 0 397.697 2.884 20 0 GFADRO CC[C@@H]([NH2+]Cc1c(C)nn(C)c1C)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000280941349 563361690 /nfs/dbraw/zinc/36/16/90/563361690.db2.gz SLXZTTVCDBYXBD-MRXNPFEDSA-N 1 0 384.933 2.839 20 0 GFADRO C[C@@H]1[C@H]([NH3+])CCN1C(=O)c1cccn1-c1ccc(I)cc1 ZINC000423684076 563362689 /nfs/dbraw/zinc/36/26/89/563362689.db2.gz ULNMMJBZIRVCLB-BXUZGUMPSA-N 1 0 395.244 2.644 20 0 GFADRO C[NH2+]CCCN(C)C(=O)C(=O)N1CCC(c2c(Cl)cccc2Cl)CC1 ZINC000423710851 563363515 /nfs/dbraw/zinc/36/35/15/563363515.db2.gz LRKNCKBHUKTIHG-UHFFFAOYSA-N 1 0 386.323 2.767 20 0 GFADRO CC[C@@H](C)NC(=O)CC[NH2+][C@@H](CC)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000281006693 563363699 /nfs/dbraw/zinc/36/36/99/563363699.db2.gz YFMFWVKDBONOSN-DOMZBBRYSA-N 1 0 389.949 2.594 20 0 GFADRO Cc1ccc(Br)cc1CNC(=O)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000423854153 563364049 /nfs/dbraw/zinc/36/40/49/563364049.db2.gz VCIKPMUABYMNGP-INIZCTEOSA-N 1 0 377.286 2.809 20 0 GFADRO COCC[C@@H](Cc1cccc(Br)c1)C(=O)N(C)[C@@H](C[NH3+])C1CC1 ZINC000423952518 563365030 /nfs/dbraw/zinc/36/50/30/563365030.db2.gz PQILVXBPBIDZRM-RDJZCZTQSA-N 1 0 383.330 2.840 20 0 GFADRO Cc1cc(SCC(=O)N2CCCO[C@@H](C[NH3+])C2)c(C)cc1Br ZINC000424006380 563366870 /nfs/dbraw/zinc/36/68/70/563366870.db2.gz BAGOJZSHULOZOC-ZDUSSCGKSA-N 1 0 387.343 2.734 20 0 GFADRO C[C@H]1CCN(C(=O)c2ccc(S(=O)(=O)c3ccccc3)s2)C[C@H]1C[NH3+] ZINC000424030248 563367854 /nfs/dbraw/zinc/36/78/54/563367854.db2.gz ZUACAACBACNOHE-UONOGXRCSA-N 1 0 378.519 2.638 20 0 GFADRO COc1ccc([C@H](CNS(=O)(=O)CCC(F)(F)F)[NH+]2CCCC2)cc1 ZINC000281155856 563367905 /nfs/dbraw/zinc/36/79/05/563367905.db2.gz KYKZDSZYQLACRS-HNNXBMFYSA-N 1 0 380.432 2.704 20 0 GFADRO COCC[C@H](Cc1cccc(Br)c1)C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000424055690 563368489 /nfs/dbraw/zinc/36/84/89/563368489.db2.gz RJKBZCWPFSZOSP-MRXNPFEDSA-N 1 0 395.341 2.999 20 0 GFADRO COc1ccc(Br)c(CC(=O)N2C[C@@H]([NH3+])Cc3ccccc32)c1 ZINC000424083464 563370108 /nfs/dbraw/zinc/37/01/08/563370108.db2.gz XCVWQBWFWGXRKM-AWEZNQCLSA-N 1 0 375.266 2.917 20 0 GFADRO Cc1cc(NC(=O)c2cn([C@H]3CCC[NH2+]C3)nn2)cc(C)c1Br ZINC000424171988 563372281 /nfs/dbraw/zinc/37/22/81/563372281.db2.gz MQWSSNLSDQQFLE-ZDUSSCGKSA-N 1 0 378.274 2.834 20 0 GFADRO Cc1cc(C[NH+]2CCSCC2)ccc1NS(=O)(=O)CCOCC1CC1 ZINC000424213763 563374004 /nfs/dbraw/zinc/37/40/04/563374004.db2.gz VOSXYFYZZJHAHB-UHFFFAOYSA-N 1 0 384.567 2.712 20 0 GFADRO COC(=O)CC1CC([NH2+]CCCNC(=O)c2cccc(Br)c2)C1 ZINC000424274281 563375189 /nfs/dbraw/zinc/37/51/89/563375189.db2.gz VQDPQPYPQFUZBC-UHFFFAOYSA-N 1 0 383.286 2.500 20 0 GFADRO CC(=O)c1ccc(Cl)c(S(=O)(=O)N2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@@H]3C2)c1 ZINC000374553861 563376032 /nfs/dbraw/zinc/37/60/32/563376032.db2.gz HGLHKQDELJXFLA-UXLLHSPISA-N 1 0 382.913 2.647 20 0 GFADRO [NH3+]C[C@H]1CC[C@@H](C(=O)N2CCC(C(=O)c3ccc(Cl)c(Cl)c3)CC2)O1 ZINC000374578453 563376386 /nfs/dbraw/zinc/37/63/86/563376386.db2.gz IZYUBYFLTODIPD-CJNGLKHVSA-N 1 0 385.291 2.921 20 0 GFADRO COC(=O)c1cc(NC(=O)N[C@@H]2CCCC[C@H]2[NH3+])c(C)cc1Br ZINC000424412510 563378566 /nfs/dbraw/zinc/37/85/66/563378566.db2.gz AVXSJRYZJZAQSD-CHWSQXEVSA-N 1 0 384.274 2.936 20 0 GFADRO Cc1cn2c(n1)CN(C(=O)[C@H](C)NC(=O)c1cccc(Cl)c1Cl)CC2 ZINC000374678063 563379495 /nfs/dbraw/zinc/37/94/95/563379495.db2.gz KPTIBLJIVLAORQ-NSHDSACASA-N 1 0 381.263 2.659 20 0 GFADRO O=C(CC[N@@H+]1CCC[C@@H]1C(=O)NC1CC1)Nc1ccccc1Br ZINC000299272337 563380202 /nfs/dbraw/zinc/38/02/02/563380202.db2.gz MGYRFTMKBRMXAG-OAHLLOKOSA-N 1 0 380.286 2.521 20 0 GFADRO C[C@@H]1CC2(CN1C(=O)C(=O)NCc1ccc(Cl)cc1Cl)CC[NH2+]CC2 ZINC000424530480 563380860 /nfs/dbraw/zinc/38/08/60/563380860.db2.gz VRSMTVPVCKYBNO-GFCCVEGCSA-N 1 0 384.307 2.600 20 0 GFADRO COc1ccc(C(=O)N2CCC[C@H](CC[NH3+])C2)c(I)c1 ZINC000281632094 563381080 /nfs/dbraw/zinc/38/10/80/563381080.db2.gz DFZZOXZTRQMEGG-LLVKDONJSA-N 1 0 388.249 2.501 20 0 GFADRO Cc1ocnc1C(=O)Nc1cc(Br)ccc1N1CC[NH+](C)CC1 ZINC000299331079 563381965 /nfs/dbraw/zinc/38/19/65/563381965.db2.gz AKOZCIUECNNHGH-UHFFFAOYSA-N 1 0 379.258 2.750 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S(=O)(=O)CC[NH2+][C@H](C)C1CCCC1 ZINC000281675573 563383305 /nfs/dbraw/zinc/38/33/05/563383305.db2.gz QFTLJXDYFGAXGY-OAHLLOKOSA-N 1 0 387.567 2.812 20 0 GFADRO C[S@@](=O)C1(C[NH2+]Cc2cc(Br)cc(Br)c2N)CC1 ZINC000281684653 563383916 /nfs/dbraw/zinc/38/39/16/563383916.db2.gz FNTJYMDMNSZKJL-GOSISDBHSA-N 1 0 396.148 2.795 20 0 GFADRO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)Nc1cc(F)c(Br)cc1Cl ZINC000281766368 563387052 /nfs/dbraw/zinc/38/70/52/563387052.db2.gz XJYPZLVGIFSSEX-QMMMGPOBSA-N 1 0 394.672 2.637 20 0 GFADRO C[N@H+]1CC=C(CNC(=O)[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)CC1 ZINC000375004323 563387940 /nfs/dbraw/zinc/38/79/40/563387940.db2.gz MNKSVWHBWUUSRE-AWEZNQCLSA-N 1 0 382.291 2.724 20 0 GFADRO O=C(NC1CC[NH+](Cc2ccncc2)CC1)N1CCC=C(Br)C1 ZINC000281842648 563388557 /nfs/dbraw/zinc/38/85/57/563388557.db2.gz MYJIQSULUXGVLN-UHFFFAOYSA-N 1 0 379.302 2.740 20 0 GFADRO Nc1c(Cl)cc(NC(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)cc1Cl ZINC000299696308 563389500 /nfs/dbraw/zinc/38/95/00/563389500.db2.gz OKOJAQQMGQOZKD-GFCCVEGCSA-N 1 0 385.295 2.601 20 0 GFADRO CS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc3c(c2F)CC[NH2+]C3)c1 ZINC000375069154 563389618 /nfs/dbraw/zinc/38/96/18/563389618.db2.gz HMLYDLOJCCSIJO-UHFFFAOYSA-N 1 0 382.844 2.781 20 0 GFADRO C[C@H](CNCc1c(F)ccc(Br)c1F)C[NH+]1CCN(C)CC1 ZINC000281938192 563391229 /nfs/dbraw/zinc/39/12/29/563391229.db2.gz HVLZPEOANZWZLC-GFCCVEGCSA-N 1 0 376.289 2.700 20 0 GFADRO COc1ncc(C(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)cc1Br ZINC000424775735 563391389 /nfs/dbraw/zinc/39/13/89/563391389.db2.gz RVVCJLWDSTUZMN-ZDUSSCGKSA-N 1 0 382.302 2.657 20 0 GFADRO Brc1ccc2ncnc(N3CC[NH+](C[C@@H]4CCOC4)CC3)c2c1 ZINC000301059852 563392320 /nfs/dbraw/zinc/39/23/20/563392320.db2.gz BHLGTOZLAUPQNJ-ZDUSSCGKSA-N 1 0 377.286 2.551 20 0 GFADRO CN(CC[N@H+](C)C1CCCCC1)c1ncnc2c1c(Br)nn2C ZINC000301141853 563393869 /nfs/dbraw/zinc/39/38/69/563393869.db2.gz CATDPOULDIEARP-UHFFFAOYSA-N 1 0 381.322 2.827 20 0 GFADRO Cc1oc(Br)cc1C(=O)NCc1ccncc1OCC[NH+](C)C ZINC000424838015 563394225 /nfs/dbraw/zinc/39/42/25/563394225.db2.gz YUMVETXHQHGJPD-UHFFFAOYSA-N 1 0 382.258 2.616 20 0 GFADRO CC(C)C[NH+]1CCC(Nc2ccc(S(N)(=O)=O)c(C(F)(F)F)c2)CC1 ZINC000301168471 563394887 /nfs/dbraw/zinc/39/48/87/563394887.db2.gz FRBJIEYWZSZSCD-UHFFFAOYSA-N 1 0 379.448 2.885 20 0 GFADRO CC(C)[N@H+](C)CC(=O)NCc1cc(Cl)cc(I)c1 ZINC000424894150 563396231 /nfs/dbraw/zinc/39/62/31/563396231.db2.gz HUMDGUCJAURPFH-UHFFFAOYSA-N 1 0 380.657 2.901 20 0 GFADRO CCc1ccc([C@H](CNc2cnn(C)c(=O)c2Br)[NH+](C)C)cc1 ZINC000301236552 563397120 /nfs/dbraw/zinc/39/71/20/563397120.db2.gz LYPYFVFBHQYYLI-HNNXBMFYSA-N 1 0 379.302 2.820 20 0 GFADRO C[N@@H+]1C[C@@H]2CCCN(C(=O)c3ccn(-c4ccc(Br)cc4)n3)[C@@H]2C1 ZINC000425066173 563402533 /nfs/dbraw/zinc/40/25/33/563402533.db2.gz NLYDAARCBZAHLG-SUMWQHHRSA-N 1 0 389.297 2.801 20 0 GFADRO C[C@@H]1CN(c2ccccn2)C[C@H]1C(=O)Nc1cc(Br)c[nH]c1=O ZINC000375399098 563402574 /nfs/dbraw/zinc/40/25/74/563402574.db2.gz FAONUCDADUPIKF-ZYHUDNBSSA-N 1 0 377.242 2.656 20 0 GFADRO CN(CC[NH+](C)C)c1ccc(Br)cc1NC(=O)CCc1ncc[nH]1 ZINC000425099720 563404472 /nfs/dbraw/zinc/40/44/72/563404472.db2.gz QTTWWHDMZLMZCI-UHFFFAOYSA-N 1 0 394.317 2.741 20 0 GFADRO CS(=O)(=O)c1ccc(-c2nc(C[NH2+][C@@H]3CCO[C@H]3C3CC3)cs2)cc1 ZINC000375425389 563405151 /nfs/dbraw/zinc/40/51/51/563405151.db2.gz GMVQVSSIZMDPGX-SJORKVTESA-N 1 0 378.519 2.871 20 0 GFADRO [NH3+][C@@H]1CCC[C@@]12CCN(C(=O)c1csc(I)c1)C2 ZINC000375456441 563405706 /nfs/dbraw/zinc/40/57/06/563405706.db2.gz HZHNVRUXXNOBMN-MFKMUULPSA-N 1 0 376.263 2.696 20 0 GFADRO Cc1[nH+]c2ccc(Br)cc2c(N2CCN3C(=O)NC[C@H]3C2)c1C ZINC000301569618 563407174 /nfs/dbraw/zinc/40/71/74/563407174.db2.gz XJPFTVZZZDBKTP-ZDUSSCGKSA-N 1 0 375.270 2.828 20 0 GFADRO Cc1[nH+]c2ccc(Br)cc2c(N2CCN3C(=O)NC[C@@H]3C2)c1C ZINC000301569617 563407260 /nfs/dbraw/zinc/40/72/60/563407260.db2.gz XJPFTVZZZDBKTP-CYBMUJFWSA-N 1 0 375.270 2.828 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCC(=O)N[C@H]1c1cncn1C)c1cccc(Br)c1 ZINC000375502703 563407428 /nfs/dbraw/zinc/40/74/28/563407428.db2.gz NJXIBFQVDZSRQK-FABXCBLPSA-N 1 0 377.286 2.853 20 0 GFADRO C[C@@H]1C[NH+](CCC2CCN(c3ncc(Br)cn3)CC2)C[C@@H](C)O1 ZINC000301580438 563408012 /nfs/dbraw/zinc/40/80/12/563408012.db2.gz UNIMHDQYLJGDSH-ZIAGYGMSSA-N 1 0 383.334 2.955 20 0 GFADRO C[N@@H+]1CC[C@H](CNS(=O)(=O)c2ccc3ccccc3c2Br)C1 ZINC000425183209 563408506 /nfs/dbraw/zinc/40/85/06/563408506.db2.gz FYZIFQVFEUZPTA-GFCCVEGCSA-N 1 0 383.311 2.832 20 0 GFADRO Cc1cc(N(CC[NH+](C)C)Cc2ccc(Br)cc2)n2ncnc2n1 ZINC000301658427 563409735 /nfs/dbraw/zinc/40/97/35/563409735.db2.gz SSMFAQSJGWSKJA-UHFFFAOYSA-N 1 0 389.301 2.763 20 0 GFADRO C[S@@](=O)C1(C[NH2+]C2CCN(Cc3ccccc3Br)CC2)CC1 ZINC000282401420 563409920 /nfs/dbraw/zinc/40/99/20/563409920.db2.gz PPWWISLERPJRHX-JOCHJYFZSA-N 1 0 385.371 2.914 20 0 GFADRO COc1cc2[nH+]ccc(N[C@H](C)CN3CCCC3=O)c2cc1Br ZINC000425214836 563411950 /nfs/dbraw/zinc/41/19/50/563411950.db2.gz KQNUZVLGCRKJSE-LLVKDONJSA-N 1 0 378.270 2.851 20 0 GFADRO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000301837901 563413455 /nfs/dbraw/zinc/41/34/55/563413455.db2.gz YNJBUJSFAXOWPA-ZDUSSCGKSA-N 1 0 376.810 2.672 20 0 GFADRO COc1cc2[nH+]ccc(N3CCC[C@H](OCCO)C3)c2cc1Br ZINC000425234484 563414033 /nfs/dbraw/zinc/41/40/33/563414033.db2.gz XHMIMCBZAHDRNE-LBPRGKRZSA-N 1 0 381.270 2.984 20 0 GFADRO C[N@@H+]1C[C@@H]2CCCN(c3ncnc4cccc(I)c43)[C@@H]2C1 ZINC000425290499 563417088 /nfs/dbraw/zinc/41/70/88/563417088.db2.gz XSAICTDYVCKZIB-SMDDNHRTSA-N 1 0 394.260 2.765 20 0 GFADRO C[C@H](CNc1ccc(S(N)(=O)=O)c(C(F)(F)F)c1)C[NH+]1CCCCC1 ZINC000301974192 563417725 /nfs/dbraw/zinc/41/77/25/563417725.db2.gz BMNWKJRPUCLLME-GFCCVEGCSA-N 1 0 379.448 2.887 20 0 GFADRO C[C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000375795740 563418312 /nfs/dbraw/zinc/41/83/12/563418312.db2.gz RGNSXFKSZYUGNM-JLZZUVOBSA-N 1 0 386.323 2.851 20 0 GFADRO O=C(c1cc2ccc(Br)cc2[nH]1)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000375789733 563418409 /nfs/dbraw/zinc/41/84/09/563418409.db2.gz JNIXPGMSGNBZOH-IRXDYDNUSA-N 1 0 392.297 2.602 20 0 GFADRO COC(=O)[C@@H]1C[N@H+](Cc2ccnn2C)C[C@H]1c1ccc(Br)cc1 ZINC000425353413 563418489 /nfs/dbraw/zinc/41/84/89/563418489.db2.gz ZGZUPNGPJBXFLS-JKSUJKDBSA-N 1 0 378.270 2.571 20 0 GFADRO COC(=O)[C@@H]1C[N@H+](Cc2c(C)cnn2C)C[C@H]1c1ccc(Br)cc1 ZINC000425346946 563418715 /nfs/dbraw/zinc/41/87/15/563418715.db2.gz JZLKFSRVAQVVIZ-JKSUJKDBSA-N 1 0 392.297 2.880 20 0 GFADRO COC(=O)COC[C@H](C)[NH2+]Cc1cc(Cl)cc(I)c1 ZINC000425348513 563418810 /nfs/dbraw/zinc/41/88/10/563418810.db2.gz FKSZOFFEBWQJKK-VIFPVBQESA-N 1 0 397.640 2.612 20 0 GFADRO CC(=O)N1CCC[C@H]1[C@@H]1CCC[N@H+]1CC(=O)N(C)Cc1ccc(Cl)s1 ZINC000375819100 563419340 /nfs/dbraw/zinc/41/93/40/563419340.db2.gz YZBPPODTRSMALF-HOTGVXAUSA-N 1 0 383.945 2.835 20 0 GFADRO CS[C@H]1CC[C@H]1[NH2+]CCCNS(=O)(=O)c1ccccc1Br ZINC000425388781 563419964 /nfs/dbraw/zinc/41/99/64/563419964.db2.gz WTSLXCKWPWAYIG-OLZOCXBDSA-N 1 0 393.372 2.601 20 0 GFADRO Cc1nnc(COCC(=O)NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)s1 ZINC000375840110 563420458 /nfs/dbraw/zinc/42/04/58/563420458.db2.gz OKECLFYMMBDPDJ-DYVFJYSZSA-N 1 0 380.539 2.624 20 0 GFADRO CC1(C)[C@H]([NH2+]C[C@@H]2CCN(S(=O)(=O)c3cccs3)C2)[C@@H]2CCCO[C@@H]21 ZINC000375836375 563420625 /nfs/dbraw/zinc/42/06/25/563420625.db2.gz CFPJCXNHBQUIET-DIECFANBSA-N 1 0 384.567 2.552 20 0 GFADRO Cc1nnc(COCC(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)s1 ZINC000375840112 563420869 /nfs/dbraw/zinc/42/08/69/563420869.db2.gz OKECLFYMMBDPDJ-GUYCJALGSA-N 1 0 380.539 2.624 20 0 GFADRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(Cc2ccc(S(=O)(=O)N(C)C)s2)C1 ZINC000425417815 563421317 /nfs/dbraw/zinc/42/13/17/563421317.db2.gz NFDZBVYGTPYVDN-OAGGEKHMSA-N 1 0 385.599 2.836 20 0 GFADRO Nc1nc(-n2cccn2)cc(NCc2cc(Br)cc3c2OCC3)[nH+]1 ZINC000302151078 563422360 /nfs/dbraw/zinc/42/23/60/563422360.db2.gz BOLTXSGBMMJUGV-UHFFFAOYSA-N 1 0 387.241 2.554 20 0 GFADRO Brc1cnn(Cc2cnc(N3CC[NH+](CC4CC4)CC3)s2)c1 ZINC000302389212 563424436 /nfs/dbraw/zinc/42/44/36/563424436.db2.gz BHMJNVUUMXDVPZ-UHFFFAOYSA-N 1 0 382.331 2.682 20 0 GFADRO Brc1cnn(Cc2cnc(N3CC[C@@H]([NH+]4CCCC4)C3)s2)c1 ZINC000302463920 563425253 /nfs/dbraw/zinc/42/52/53/563425253.db2.gz RZTWTHIDHPTUSM-CYBMUJFWSA-N 1 0 382.331 2.825 20 0 GFADRO COC(=O)[C@@H]1CN(Cc2noc(C)n2)C[C@H]1c1ccc(Br)cc1 ZINC000425519892 563426138 /nfs/dbraw/zinc/42/61/38/563426138.db2.gz PHXJNTHWYVAJEU-UONOGXRCSA-N 1 0 380.242 2.529 20 0 GFADRO CN1CCC2(CC[NH+](CCC(=O)Nc3cccc(Br)c3)CC2)C1=O ZINC000376031784 563427816 /nfs/dbraw/zinc/42/78/16/563427816.db2.gz IYRSTDKYEDJPJW-UHFFFAOYSA-N 1 0 394.313 2.722 20 0 GFADRO C[C@@H]([NH2+]CC1(OCCO)CCOCC1)c1ccc(F)cc1Br ZINC000282885440 563428520 /nfs/dbraw/zinc/42/85/20/563428520.db2.gz VXXPUJJWXYACQB-GFCCVEGCSA-N 1 0 376.266 2.797 20 0 GFADRO C[N@@H+]1CCCC12CCN(C(=O)c1cn3ccc(Br)cc3n1)CC2 ZINC000376050109 563428624 /nfs/dbraw/zinc/42/86/24/563428624.db2.gz JMNALWTWGPZPCI-UHFFFAOYSA-N 1 0 377.286 2.797 20 0 GFADRO O=S(=O)(Cc1ccccc1C(F)(F)F)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000376129523 563430737 /nfs/dbraw/zinc/43/07/37/563430737.db2.gz LIMWRGXSJNYCJF-CJNGLKHVSA-N 1 0 376.444 2.999 20 0 GFADRO O=C1CCc2cc(Cl)c(S(=O)(=O)N3CCC[C@@H]([C@@H]4CCC[NH2+]4)C3)cc21 ZINC000376123343 563430749 /nfs/dbraw/zinc/43/07/49/563430749.db2.gz RHTKAJNSYNZRJH-CJNGLKHVSA-N 1 0 382.913 2.622 20 0 GFADRO [NH3+][C@@H]1C[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1c(Cl)cccc1Br ZINC000376122918 563430792 /nfs/dbraw/zinc/43/07/92/563430792.db2.gz NCOWRRYGLOXXEA-OWUUHHOZSA-N 1 0 379.707 2.745 20 0 GFADRO O=C(Nc1cnc2c(Br)cccn12)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000425676161 563431228 /nfs/dbraw/zinc/43/12/28/563431228.db2.gz SQFMOFWEPKSLSW-STQMWFEESA-N 1 0 378.274 2.845 20 0 GFADRO CN(C)CC[N@H+](C)CCCNC(=O)Nc1cc(Cl)ccc1OC(F)F ZINC000425718014 563432970 /nfs/dbraw/zinc/43/29/70/563432970.db2.gz UEKLIBYYLHPCSM-UHFFFAOYSA-N 1 0 378.851 2.946 20 0 GFADRO CC(C)[N@H+](C)CCCNC(=O)C(=O)Nc1cc(Cl)ccc1OC(F)F ZINC000425728105 563433553 /nfs/dbraw/zinc/43/35/53/563433553.db2.gz UPCWIICZMJZWSI-UHFFFAOYSA-N 1 0 377.819 2.726 20 0 GFADRO C[C@@H](NC(=O)[C@H]1CCCN1C(=O)c1ccc(Cl)s1)C1=CC[N@H+](C)CC1 ZINC000376283307 563436012 /nfs/dbraw/zinc/43/60/12/563436012.db2.gz UNIJHXOUIOIZLN-TZMCWYRMSA-N 1 0 381.929 2.773 20 0 GFADRO O=S(=O)(c1ccc(Br)cc1F)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000317485638 563442386 /nfs/dbraw/zinc/44/23/86/563442386.db2.gz DLQJHGNYYKTMPX-ZDUSSCGKSA-N 1 0 391.306 2.837 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CN(C(=O)c2ccc(Br)c(C(F)(F)F)c2)CCO1 ZINC000317141673 563442478 /nfs/dbraw/zinc/44/24/78/563442478.db2.gz FJCJKOCNDLEENW-PELKAZGASA-N 1 0 381.192 2.656 20 0 GFADRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)COc1ccc(C=O)cc1Br ZINC000376445881 563442544 /nfs/dbraw/zinc/44/25/44/563442544.db2.gz ADAQLSOEHGGETR-ZFWWWQNUSA-N 1 0 395.297 2.726 20 0 GFADRO COc1cc(Br)c(C[N@@H+]2CC[C@@H](Cc3cnn(C)c3)C2)cc1O ZINC000376535630 563445454 /nfs/dbraw/zinc/44/54/54/563445454.db2.gz OJMRJPHNTSAGKM-LBPRGKRZSA-N 1 0 380.286 2.961 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)c1cc(=O)[nH]c2c(Br)cccc12)C1CC1 ZINC000426171834 563445752 /nfs/dbraw/zinc/44/57/52/563445752.db2.gz KEUIMUXNHVAIDR-CQSZACIVSA-N 1 0 378.270 2.773 20 0 GFADRO COc1ccc([C@@H](C)[NH2+]Cc2ccc(S(N)(=O)=O)cc2)cc1Br ZINC000320237522 563446012 /nfs/dbraw/zinc/44/60/12/563446012.db2.gz VZNOOJAJZLYAMR-LLVKDONJSA-N 1 0 399.310 2.956 20 0 GFADRO [NH3+]C[C@H]1CCCC[C@]12NC(=O)N(Cc1ccc(Br)cc1F)C2=O ZINC000321128025 563448037 /nfs/dbraw/zinc/44/80/37/563448037.db2.gz CWOLNTUPNXTPPU-BZNIZROVSA-N 1 0 384.249 2.528 20 0 GFADRO CC(C)c1nnc(CC[NH2+][C@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)s1 ZINC000426302807 563448705 /nfs/dbraw/zinc/44/87/05/563448705.db2.gz UYFOMWGTARAJGI-CYBMUJFWSA-N 1 0 382.555 2.805 20 0 GFADRO C[C@H]([NH2+]C[C@H]1CCn2ncc(C(N)=O)c2C1)c1ccc(Br)cc1 ZINC000376655179 563449611 /nfs/dbraw/zinc/44/96/11/563449611.db2.gz FIXODFIDXJTDOT-RYUDHWBXSA-N 1 0 377.286 2.658 20 0 GFADRO NC(=O)[C@H](Cc1ccccc1)[NH2+][C@H]1CCOc2c(Br)cccc21 ZINC000283663318 563450601 /nfs/dbraw/zinc/45/06/01/563450601.db2.gz XOJJEQAFUVXXPZ-HOTGVXAUSA-N 1 0 375.266 2.959 20 0 GFADRO CN(CCn1cc(Br)cn1)C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000426509981 563452236 /nfs/dbraw/zinc/45/22/36/563452236.db2.gz UZGXSFBNTHKYEY-INIZCTEOSA-N 1 0 383.334 2.901 20 0 GFADRO O=C1CC[C@H]([NH2+]Cc2cn(-c3ccc(Cl)c(Cl)c3)nn2)[C@@H](C2CC2)N1 ZINC000376772630 563454296 /nfs/dbraw/zinc/45/42/96/563454296.db2.gz MQGSAMRGKOXIAB-DOTOQJQBSA-N 1 0 380.279 2.721 20 0 GFADRO CSCC[C@H]([NH3+])C(=O)N1CCN(c2nc(-c3cccs3)cs2)CC1 ZINC000376794860 563454773 /nfs/dbraw/zinc/45/47/73/563454773.db2.gz SUIKFTQEGDFVHJ-LBPRGKRZSA-N 1 0 382.580 2.601 20 0 GFADRO C[C@@H](CCSc1ccccc1)N1CCC([NH2+][C@H]2CCS(=O)(=O)C2)CC1 ZINC000376798350 563454946 /nfs/dbraw/zinc/45/49/46/563454946.db2.gz GIRHPBYCVSLSFG-WMZOPIPTSA-N 1 0 382.595 2.798 20 0 GFADRO O=S(=O)(c1cccc(OC(F)(F)F)c1)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000327388342 563458034 /nfs/dbraw/zinc/45/80/34/563458034.db2.gz QWBTXNPKKGQKAR-SWLSCSKDSA-N 1 0 378.416 2.738 20 0 GFADRO Cc1cn2c(n1)[C@@H](CNC(=O)c1[nH]nc(C3CC3)c1Br)CCC2 ZINC000328697716 563463338 /nfs/dbraw/zinc/46/33/38/563463338.db2.gz DSKGICDBHXTWLQ-LLVKDONJSA-N 1 0 378.274 2.862 20 0 GFADRO O[C@@H]1CCOC[C@H]1[C@H]1CCC[N@@H+]1Cc1cc2c(c(Br)c1)OCO2 ZINC000328693443 563463379 /nfs/dbraw/zinc/46/33/79/563463379.db2.gz COIMXTYXTOUGHB-NWANDNLSSA-N 1 0 384.270 2.540 20 0 GFADRO C[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2CCCN(c3ccc(Br)cn3)C2)C1 ZINC000377126911 563464202 /nfs/dbraw/zinc/46/42/02/563464202.db2.gz KWJHCTVRHMFCRB-HUUCEWRRSA-N 1 0 395.345 2.519 20 0 GFADRO Cn1ccnc1[C@H]1OCC[C@@H]1[NH2+]Cc1cccc(I)c1 ZINC000284152424 563466214 /nfs/dbraw/zinc/46/62/14/563466214.db2.gz ZMEOVWROODKFPK-KBPBESRZSA-N 1 0 383.233 2.645 20 0 GFADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc(Br)c4c3OCCC4)[C@H]2C1 ZINC000427454358 563467903 /nfs/dbraw/zinc/46/79/03/563467903.db2.gz YXQJPXJEXOEDER-WBMJQRKESA-N 1 0 379.298 2.940 20 0 GFADRO COC(=O)c1ccc(C[NH2+]CCCC[N@@H+]2CCC[C@H]2CO)c(Br)c1 ZINC000284297080 563469600 /nfs/dbraw/zinc/46/96/00/563469600.db2.gz INSQGOOSBGPMIF-INIZCTEOSA-N 1 0 399.329 2.562 20 0 GFADRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1cc(Br)cnc1OCC1CC1 ZINC000328975160 563469763 /nfs/dbraw/zinc/46/97/63/563469763.db2.gz BGUZETMNZYSSLT-HOTGVXAUSA-N 1 0 394.313 2.990 20 0 GFADRO Cc1nc([C@H]2CCCN(Cc3cc4c(cc3Br)OCO4)C2)n[nH]1 ZINC000329112657 563473300 /nfs/dbraw/zinc/47/33/00/563473300.db2.gz RLOJOOXNIMNBRK-NSHDSACASA-N 1 0 379.258 2.984 20 0 GFADRO Cc1ccccc1C[C@H]([NH2+]C[C@H](O)CS(=O)(=O)c1cccs1)C1CC1 ZINC000284438768 563474364 /nfs/dbraw/zinc/47/43/64/563474364.db2.gz RTYKSQAZYXIBJK-ROUUACIJSA-N 1 0 379.547 2.802 20 0 GFADRO O=S(=O)(c1cc(Cl)ccc1OCCC1CC1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000427955330 563479113 /nfs/dbraw/zinc/47/91/13/563479113.db2.gz AQPRDJYFFVHQFP-GOEBONIOSA-N 1 0 384.929 2.891 20 0 GFADRO CC[NH+](CC)CCSCC(=O)N1CCC(c2noc(C(F)F)n2)CC1 ZINC000377649822 563481747 /nfs/dbraw/zinc/48/17/47/563481747.db2.gz YDCDXRHHGWJVEU-UHFFFAOYSA-N 1 0 376.473 2.788 20 0 GFADRO COc1cc(Br)ccc1CN1CCC[C@@H](C[NH+]2CCN(C)CC2)C1 ZINC000377626740 563481801 /nfs/dbraw/zinc/48/18/01/563481801.db2.gz OFMZGTOWWUCSRF-INIZCTEOSA-N 1 0 396.373 2.917 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CN1CCOC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000284626006 563483073 /nfs/dbraw/zinc/48/30/73/563483073.db2.gz BGLGZLULGNZDRC-OIISXLGYSA-N 1 0 397.313 2.558 20 0 GFADRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)/C=C/c3ccc(Br)s3)CC2)C1 ZINC000377737863 563485070 /nfs/dbraw/zinc/48/50/70/563485070.db2.gz DPXIDXAUNBKUFO-HZRUHFOJSA-N 1 0 398.370 2.762 20 0 GFADRO CC[NH+]1CCN(CCC(=O)N[C@H]2CSc3ccc(Br)cc32)CC1 ZINC000428195293 563485554 /nfs/dbraw/zinc/48/55/54/563485554.db2.gz NQRIIYSQKWBNRO-HNNXBMFYSA-N 1 0 398.370 2.740 20 0 GFADRO CC(C)NC(=O)[C@@H]1CCC[C@@H]([NH2+][C@H](C)Cn2cc(Br)ccc2=O)C1 ZINC000428249312 563486159 /nfs/dbraw/zinc/48/61/59/563486159.db2.gz UZGLAHQKWFREBQ-IIAWOOMASA-N 1 0 398.345 2.672 20 0 GFADRO CC(C)NC(=O)[C@@H]1CCC[C@H]([NH2+][C@@H](C)Cn2cc(Br)ccc2=O)C1 ZINC000428249326 563486204 /nfs/dbraw/zinc/48/62/04/563486204.db2.gz UZGLAHQKWFREBQ-LZWOXQAQSA-N 1 0 398.345 2.672 20 0 GFADRO C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCCN2c2nccs2)[C@H]1c1cccs1 ZINC000377785641 563486504 /nfs/dbraw/zinc/48/65/04/563486504.db2.gz SQEOQYCOHJEAIU-YCPHGPKFSA-N 1 0 376.551 2.983 20 0 GFADRO CC(C)n1cc(S(=O)(=O)NC[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)cn1 ZINC000329755425 563487658 /nfs/dbraw/zinc/48/76/58/563487658.db2.gz YBEPEBRUJWJRHR-RHSMWYFYSA-N 1 0 382.555 2.887 20 0 GFADRO CN1C(=O)N[C@@]2(CCC[C@@H]2C[NH2+]Cc2csc(-c3cccs3)n2)C1=O ZINC000377976141 563492231 /nfs/dbraw/zinc/49/22/31/563492231.db2.gz HPRDVBMRNGWRNF-PIGZYNQJSA-N 1 0 376.507 2.682 20 0 GFADRO CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+]C[C@H]2CSCCN2Cc2ccccc2)C1 ZINC000284874701 563493007 /nfs/dbraw/zinc/49/30/07/563493007.db2.gz BBRDRDRCRGYCCN-GBESFXJTSA-N 1 0 382.595 2.549 20 0 GFADRO Cc1[nH]nc2ncc(C[NH2+]C[C@H](CO)Cc3cccc(Br)c3)cc12 ZINC000428533103 563494746 /nfs/dbraw/zinc/49/47/46/563494746.db2.gz CDXMGWOYOVDTCU-OAHLLOKOSA-N 1 0 389.297 2.970 20 0 GFADRO Cn1nnc2cc(C[NH2+]C[C@H](CO)Cc3ccccc3Br)ccc21 ZINC000428541587 563495435 /nfs/dbraw/zinc/49/54/35/563495435.db2.gz PTJBOBKTIGWHSS-CQSZACIVSA-N 1 0 389.297 2.672 20 0 GFADRO C[C@H]([NH2+][C@H](c1cncc(Br)c1)C1CC1)C(=O)NC(=O)NC(C)(C)C ZINC000284921940 563495533 /nfs/dbraw/zinc/49/55/33/563495533.db2.gz VURRWCLBAFSLPN-HZMBPMFUSA-N 1 0 397.317 2.898 20 0 GFADRO [NH3+]Cc1ccc2c(c1)CCCN2C(=O)c1cc(I)c[nH]1 ZINC000378184740 563498459 /nfs/dbraw/zinc/49/84/59/563498459.db2.gz UOYLTMNVOXKKRT-UHFFFAOYSA-N 1 0 381.217 2.671 20 0 GFADRO COCC[C@]1(C(=O)N[C@@H](C)c2ccc(OC)c(Br)c2)CC[NH2+]C1 ZINC000378210189 563498768 /nfs/dbraw/zinc/49/87/68/563498768.db2.gz VRGHPVUUMKHSRE-YVEFUNNKSA-N 1 0 385.302 2.651 20 0 GFADRO Cc1cc(COc2ccc(C(=O)NC3CC[NH2+]CC3)cc2Br)on1 ZINC000428779385 563501066 /nfs/dbraw/zinc/50/10/66/563501066.db2.gz LDNDZIZTFDAFDO-UHFFFAOYSA-N 1 0 394.269 2.806 20 0 GFADRO C[C@@H]([NH2+][C@H](CO)c1ccc(Br)cc1)C(=O)NCCc1ccccc1 ZINC000428778096 563501581 /nfs/dbraw/zinc/50/15/81/563501581.db2.gz ICYAXQPMPNWETO-RDTXWAMCSA-N 1 0 391.309 2.820 20 0 GFADRO CS(=O)(=O)[C@H]1CCC[C@H]([NH2+]CCOc2cccc(Br)c2)C1 ZINC000285084232 563502295 /nfs/dbraw/zinc/50/22/95/563502295.db2.gz JQSVLYBSXMRNBR-ZFWWWQNUSA-N 1 0 376.316 2.773 20 0 GFADRO Cc1cc(S(=O)(=O)N2CCC[C@@H]([NH+](C)C)CC2)ccc1Br ZINC000428851470 563503440 /nfs/dbraw/zinc/50/34/40/563503440.db2.gz RGFDRKSURWGHAD-CYBMUJFWSA-N 1 0 375.332 2.862 20 0 GFADRO C[C@H]1CN(C(=O)c2csc(Br)c2)CCN1C1CC[NH+](C)CC1 ZINC000378368651 563504525 /nfs/dbraw/zinc/50/45/25/563504525.db2.gz WLKZASOMOVUDHV-LBPRGKRZSA-N 1 0 386.359 2.751 20 0 GFADRO C[C@@H](NC(=O)c1cc(-c2ccc(Br)cc2)n[nH]1)[C@H]1CCC[NH2+]C1 ZINC000428944567 563505035 /nfs/dbraw/zinc/50/50/35/563505035.db2.gz UKFCMGYJRYCEEZ-YPMHNXCESA-N 1 0 377.286 2.957 20 0 GFADRO O=C(CC[NH2+][C@H](CO)c1ccc(Br)c(F)c1)Nc1cccnc1 ZINC000429022268 563507993 /nfs/dbraw/zinc/50/79/93/563507993.db2.gz RSSSAYZFKHVKCH-OAHLLOKOSA-N 1 0 382.233 2.635 20 0 GFADRO C[N@@H+]1CC[C@@]2(CCN(CCS(=O)(=O)c3cc(Cl)ccc3Cl)C2)C1 ZINC000429027633 563508767 /nfs/dbraw/zinc/50/87/67/563508767.db2.gz BGIAHJCTKMPWKC-MRXNPFEDSA-N 1 0 377.337 2.795 20 0 GFADRO C[N@H+](CC(=O)N1CCOCC1)Cc1cccc2c(Br)cccc12 ZINC000429054696 563509339 /nfs/dbraw/zinc/50/93/39/563509339.db2.gz QEMVVYLUPGXRCN-UHFFFAOYSA-N 1 0 377.282 2.893 20 0 GFADRO C[N@@H+](Cc1cccc2c(Br)cccc12)C[C@H](O)CN1CCOCC1 ZINC000429060803 563509528 /nfs/dbraw/zinc/50/95/28/563509528.db2.gz QDRBWMRUQAATJH-INIZCTEOSA-N 1 0 393.325 2.727 20 0 GFADRO C[C@H]1CCCN(C(=O)c2cc(F)ccc2I)[C@@H]1C[NH3+] ZINC000429162367 563510830 /nfs/dbraw/zinc/51/08/30/563510830.db2.gz LNVXIGPERUHONF-TVQRCGJNSA-N 1 0 376.213 2.630 20 0 GFADRO CCc1c(C(=O)NC[C@@H]([NH3+])C(C)C)cnn1-c1ccc(Br)cc1 ZINC000429133444 563510953 /nfs/dbraw/zinc/51/09/53/563510953.db2.gz GVSIFJMWWBPAEI-OAHLLOKOSA-N 1 0 379.302 2.910 20 0 GFADRO C[C@@H]1CCCN(C(=O)c2cnc(Sc3nccn3C)c(Cl)c2)[C@H]1C[NH3+] ZINC000429160367 563511047 /nfs/dbraw/zinc/51/10/47/563511047.db2.gz HCNGAYLQACTGCL-RISCZKNCSA-N 1 0 379.917 2.819 20 0 GFADRO CS(=O)(=O)N[C@H]1CCCC[C@@H]1[NH2+]CCOc1c(Cl)cccc1Cl ZINC000330600925 563512647 /nfs/dbraw/zinc/51/26/47/563512647.db2.gz GCTQJSLVCMUQLM-KBPBESRZSA-N 1 0 381.325 2.822 20 0 GFADRO COCC(C)(C)[N@H+](C)CC(=O)Nc1ccc(I)cc1 ZINC000429246186 563512628 /nfs/dbraw/zinc/51/26/28/563512628.db2.gz FTMJYJRESCKOEQ-UHFFFAOYSA-N 1 0 376.238 2.587 20 0 GFADRO Oc1cccc2c1C[C@@H]([NH2+]C[C@H](O)COc1cc(F)cc(Br)c1)C2 ZINC000429231847 563512656 /nfs/dbraw/zinc/51/26/56/563512656.db2.gz QZLCLGHTMUJZIB-GJZGRUSLSA-N 1 0 396.256 2.791 20 0 GFADRO CCS(=O)(=O)NCCC[NH2+][C@@H]1c2cc(Br)ccc2CC1(C)C ZINC000429295274 563513952 /nfs/dbraw/zinc/51/39/52/563513952.db2.gz UAWDOTQXOXUYBN-OAHLLOKOSA-N 1 0 389.359 2.992 20 0 GFADRO Cn1ccnc1Sc1ncc(C(=O)N[C@H]2CCCC[C@@H]2C[NH3+])cc1Cl ZINC000429296657 563514204 /nfs/dbraw/zinc/51/42/04/563514204.db2.gz SZJDQFNZEVEBAF-RISCZKNCSA-N 1 0 379.917 2.867 20 0 GFADRO CC1(C)Cc2ccc(Br)cc2[C@H]1[NH2+]C[C@H](O)CN1CCCC1=O ZINC000429312402 563514252 /nfs/dbraw/zinc/51/42/52/563514252.db2.gz WORBCFWAAHQBLS-WMLDXEAASA-N 1 0 381.314 2.645 20 0 GFADRO C[C@@H]1CN([C@@H](C(N)=O)c2ccc(Br)cc2F)CC[N@@H+](C2CCC2)C1 ZINC000429375338 563515728 /nfs/dbraw/zinc/51/57/28/563515728.db2.gz YMTNNZUWOVBSCW-YVEFUNNKSA-N 1 0 398.320 2.921 20 0 GFADRO C[C@H]1[C@H]([NH+](C)C)CCN1S(=O)(=O)c1ccc(Br)cc1Cl ZINC000380791177 563515761 /nfs/dbraw/zinc/51/57/61/563515761.db2.gz VCYKKBAHCMKXRN-JOYOIKCWSA-N 1 0 381.723 2.816 20 0 GFADRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1S(=O)(=O)c1ccc2nc(Cl)cnc2c1 ZINC000285350048 563515954 /nfs/dbraw/zinc/51/59/54/563515954.db2.gz PNBJAAYIUWKHOY-OLZOCXBDSA-N 1 0 380.901 2.531 20 0 GFADRO CCCNC(=O)NC(=O)C[NH2+][C@@H]1c2cccc(Br)c2CC1(C)C ZINC000429409976 563516496 /nfs/dbraw/zinc/51/64/96/563516496.db2.gz PZCGBSSXQRZKFB-OAHLLOKOSA-N 1 0 382.302 2.898 20 0 GFADRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NS(=O)(=O)c1cccnc1C(F)(F)F ZINC000330672763 563516862 /nfs/dbraw/zinc/51/68/62/563516862.db2.gz OCWGOBGTPLJYTP-UPJWGTAASA-N 1 0 379.448 2.745 20 0 GFADRO CCOc1cc(C[NH2+][C@H]2CCCS(=O)(=O)C2)cc(Br)c1OC ZINC000330669628 563516997 /nfs/dbraw/zinc/51/69/97/563516997.db2.gz KWINCKAUIYGVIZ-LBPRGKRZSA-N 1 0 392.315 2.523 20 0 GFADRO COC[C@@H]([NH2+]C[C@@H](CO)Cc1ccc(Br)cc1)C1CCOCC1 ZINC000429455737 563517075 /nfs/dbraw/zinc/51/70/75/563517075.db2.gz QJGGSGWDRHUUAF-MAUKXSAKSA-N 1 0 386.330 2.631 20 0 GFADRO O=C1NC(=O)C2(CCC([NH2+]Cc3ccc(Cl)cc3Br)CC2)N1 ZINC000285416460 563519507 /nfs/dbraw/zinc/51/95/07/563519507.db2.gz GGHYNVFRBCZHFI-UHFFFAOYSA-N 1 0 386.677 2.713 20 0 GFADRO COc1ccc(Br)cc1C[NH2+]CC1(S(C)(=O)=O)CCCC1 ZINC000285469869 563522299 /nfs/dbraw/zinc/52/22/99/563522299.db2.gz KMQNBRHLCAVNSK-UHFFFAOYSA-N 1 0 376.316 2.905 20 0 GFADRO C[NH+](C)CCCC1CCN(S(=O)(=O)c2ccc(Br)o2)CC1 ZINC000330815265 563522350 /nfs/dbraw/zinc/52/23/50/563522350.db2.gz MGGDBLGKHSUBGN-UHFFFAOYSA-N 1 0 379.320 2.785 20 0 GFADRO CC(C)NC(=O)[C@H]1CCC[C@@H]([NH2+]Cc2c(Cl)cccc2S(C)(=O)=O)C1 ZINC000330824836 563522411 /nfs/dbraw/zinc/52/24/11/563522411.db2.gz FFGDFXMKTVVLGF-UONOGXRCSA-N 1 0 386.945 2.917 20 0 GFADRO COC(=O)CC[N@H+](CCOc1cccc(Br)c1)C[C@H]1CCCO1 ZINC000391353773 563524327 /nfs/dbraw/zinc/52/43/27/563524327.db2.gz UEOADTNPRINMSJ-MRXNPFEDSA-N 1 0 386.286 2.872 20 0 GFADRO Brc1cnc(CNCC[N@H+]2CC=CCC2)c(Br)c1 ZINC000392260900 563526063 /nfs/dbraw/zinc/52/60/63/563526063.db2.gz HCKAZRBGZHASAJ-UHFFFAOYSA-N 1 0 375.108 2.958 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2cc3ccc(Br)cn3n2)[C@@H](C)C1 ZINC000429952215 563530361 /nfs/dbraw/zinc/53/03/61/563530361.db2.gz WLEYWDYEAQTUIE-WFASDCNBSA-N 1 0 394.317 3.291 20 0 GFADRO C[NH+](C)C1(CNC(=O)C2(c3cc(F)cc(Br)c3)CC2)CCOCC1 ZINC000285653693 563530942 /nfs/dbraw/zinc/53/09/42/563530942.db2.gz YPXBXPWYOICQCO-UHFFFAOYSA-N 1 0 399.304 2.847 20 0 GFADRO C[C@@H]1C[C@H](C)N(CC(=O)N(C)Cc2ccccc2Br)C[C@@H]1C[NH3+] ZINC000397318227 563531618 /nfs/dbraw/zinc/53/16/18/563531618.db2.gz MFEWTNODSWPCJJ-YCPHGPKFSA-N 1 0 382.346 2.713 20 0 GFADRO C[C@H]1C[NH+](CC2CCN(C(=O)C(=O)c3ccc(Cl)s3)CC2)C[C@H](C)O1 ZINC000430062516 563532479 /nfs/dbraw/zinc/53/24/79/563532479.db2.gz UDJNVAWHZDZVGP-STQMWFEESA-N 1 0 384.929 2.932 20 0 GFADRO COc1ccc(CN2C[C@H](N3CCOCC3)C[C@H]2C)c(Br)c1OC ZINC000285794319 563537579 /nfs/dbraw/zinc/53/75/79/563537579.db2.gz FPFVXJQFNODLCF-UKRRQHHQSA-N 1 0 399.329 2.761 20 0 GFADRO COc1ccc(S(=O)(=O)N2CCC[C@H](C)[C@@H]2CC[NH3+])cc1Br ZINC000405306879 563538847 /nfs/dbraw/zinc/53/88/47/563538847.db2.gz LDVNONQWWNEMLT-FZMZJTMJSA-N 1 0 391.331 2.596 20 0 GFADRO CCCS(=O)(=O)Nc1cc(NC(=O)[C@@H]2CCC[C@H]([NH3+])C2)c(F)cc1F ZINC000430231236 563539559 /nfs/dbraw/zinc/53/95/59/563539559.db2.gz XRYGHHRBMSCBSK-MNOVXSKESA-N 1 0 375.441 2.573 20 0 GFADRO COCC[C@]1(C(=O)N2CC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)CC[NH2+]C1 ZINC000430429055 563543154 /nfs/dbraw/zinc/54/31/54/563543154.db2.gz UCUBZJAWSFWBHA-KBXCAEBGSA-N 1 0 387.307 2.989 20 0 GFADRO C[C@@H]([NH2+]C[C@H]1CCC(C)(C)O1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430752590 563548901 /nfs/dbraw/zinc/54/89/01/563548901.db2.gz HIYVBQOIVNTKLR-ZYHUDNBSSA-N 1 0 391.331 2.705 20 0 GFADRO Cc1nn(C)c(NC(=O)N2C[C@@H](C)[C@H]([NH3+])C2)c1-c1ccc(Br)cc1 ZINC000331496572 563550990 /nfs/dbraw/zinc/55/09/90/563550990.db2.gz HDPLGESAQMMTQJ-QMTHXVAHSA-N 1 0 392.301 2.969 20 0 GFADRO C[C@H](c1ccccc1Cl)N1CC[NH+](C[C@H](O)COCC(F)(F)F)CC1 ZINC000431093657 563553570 /nfs/dbraw/zinc/55/35/70/563553570.db2.gz MMPYOULSQYUWJO-KGLIPLIRSA-N 1 0 380.838 2.958 20 0 GFADRO Cc1cc(NC(=O)C(=O)N2CCC[C@]3(CC[NH2+]C3)C2)cc(C)c1Br ZINC000331567369 563553887 /nfs/dbraw/zinc/55/38/87/563553887.db2.gz NWIZOBQAZPVCIV-GOSISDBHSA-N 1 0 394.313 2.607 20 0 GFADRO C[N@@H+]1CCC[C@H]2CN(c3c(Br)cccc3S(C)(=O)=O)CC[C@H]21 ZINC000286262572 563554342 /nfs/dbraw/zinc/55/43/42/563554342.db2.gz PYLDEGUPDKPZHM-GXTWGEPZSA-N 1 0 387.343 2.773 20 0 GFADRO Cc1nn(C)c(C)c1[C@H]1[C@H]([NH2+]Cc2cc(Br)cs2)CC(=O)N1C ZINC000331587712 563554514 /nfs/dbraw/zinc/55/45/14/563554514.db2.gz LQQVXPGPONGOCJ-CZUORRHYSA-N 1 0 397.342 2.923 20 0 GFADRO O=S(=O)(c1cnccc1C(F)(F)F)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000408430687 563556031 /nfs/dbraw/zinc/55/60/31/563556031.db2.gz XAEWYYOVUCEENG-ZDUSSCGKSA-N 1 0 377.432 2.739 20 0 GFADRO CC1CC[NH+](CC(=O)N[C@H]2CCO[C@@H]2c2cncc(Br)c2)CC1 ZINC000331665590 563557178 /nfs/dbraw/zinc/55/71/78/563557178.db2.gz ZETMXHZSYVQFCR-DOTOQJQBSA-N 1 0 382.302 2.522 20 0 GFADRO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCc1cc(Br)c2c(c1)OCCO2 ZINC000331688845 563557975 /nfs/dbraw/zinc/55/79/75/563557975.db2.gz UFBYXHNSMKRXFG-VXGBXAGGSA-N 1 0 383.286 2.709 20 0 GFADRO CCC[N@H+](C)[C@H](CNC(=O)Cc1nnc(NC)s1)c1ccc(Cl)cc1 ZINC000286378347 563558378 /nfs/dbraw/zinc/55/83/78/563558378.db2.gz NYMCOZIKMNDHKT-CQSZACIVSA-N 1 0 381.933 2.975 20 0 GFADRO CN(C(=O)NCC1(C)CC[NH2+]CC1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000331710020 563559179 /nfs/dbraw/zinc/55/91/79/563559179.db2.gz KFKXKQUECLOLLN-CVEARBPZSA-N 1 0 386.323 2.983 20 0 GFADRO C[C@@H]1C[C@H](N(C)C(=O)C(=O)NCCc2cc(Cl)cc(Cl)c2)CC[N@@H+]1C ZINC000286429719 563560413 /nfs/dbraw/zinc/56/04/13/563560413.db2.gz HBGAXVABODMUKD-MLGOLLRUSA-N 1 0 386.323 2.593 20 0 GFADRO Ic1cnc(C[NH2+][C@H]2CCO[C@]3(CCSC3)C2)s1 ZINC000286480781 563561724 /nfs/dbraw/zinc/56/17/24/563561724.db2.gz LGZKIJNKMDIBIP-JOYOIKCWSA-N 1 0 396.319 2.892 20 0 GFADRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)NCCc1nc(C(F)(F)F)cs1 ZINC000286535104 563563806 /nfs/dbraw/zinc/56/38/06/563563806.db2.gz CFPHSTNCGGZROR-RYUDHWBXSA-N 1 0 376.448 2.973 20 0 GFADRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1nc2ccc(Br)cn2n1 ZINC000331934181 563567512 /nfs/dbraw/zinc/56/75/12/563567512.db2.gz LXMSJHLGCNATFM-XQQFMLRXSA-N 1 0 394.317 2.588 20 0 GFADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(C)(C)c1ccccc1Br ZINC000409642312 563567544 /nfs/dbraw/zinc/56/75/44/563567544.db2.gz UCUOILYVMIQEMH-CQSZACIVSA-N 1 0 383.330 2.954 20 0 GFADRO COCC[N@H+](C)CCNC(=O)NCCOc1c(Cl)cc(Cl)cc1Cl ZINC000431739677 563567734 /nfs/dbraw/zinc/56/77/34/563567734.db2.gz DQAZUKZZLVTDGY-UHFFFAOYSA-N 1 0 398.718 2.903 20 0 GFADRO O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccn(-c2ccc(Br)cc2)n1 ZINC000431824604 563569412 /nfs/dbraw/zinc/56/94/12/563569412.db2.gz RBDSRLONSWMGHJ-HOCLYGCPSA-N 1 0 389.297 2.991 20 0 GFADRO CC[NH+](CC)C[C@H]1CCCC[C@H]1NS(=O)(=O)c1cc(C(=O)OC)cs1 ZINC000431895715 563570704 /nfs/dbraw/zinc/57/07/04/563570704.db2.gz GHDVSLZANLCVEI-UKRRQHHQSA-N 1 0 388.555 2.714 20 0 GFADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2c(Cl)cc(F)cc2Cl)CC1 ZINC000431924931 563571697 /nfs/dbraw/zinc/57/16/97/563571697.db2.gz QWQGFCVCHBPURV-AWEZNQCLSA-N 1 0 388.270 2.511 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c(Br)c1 ZINC000431988467 563572996 /nfs/dbraw/zinc/57/29/96/563572996.db2.gz XOLXTIAOXPWXBO-UONOGXRCSA-N 1 0 394.313 2.747 20 0 GFADRO C[C@@H]1C[N@@H+](CCCNC(=O)c2cc(Br)cc(N(C)C)c2)C[C@H](C)O1 ZINC000432053269 563574330 /nfs/dbraw/zinc/57/43/30/563574330.db2.gz OIFWDCSGMXTLLJ-OKILXGFUSA-N 1 0 398.345 2.744 20 0 GFADRO CN(C)c1cc(NC(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)ncc1Br ZINC000332152806 563579574 /nfs/dbraw/zinc/57/95/74/563579574.db2.gz IZXUJCZBUGELTI-GVXVVHGQSA-N 1 0 382.306 2.501 20 0 GFADRO C[C@@H]1C[N@H+](CCCNCc2cc3c(cc2Br)OCO3)CCCO1 ZINC000432354601 563582179 /nfs/dbraw/zinc/58/21/79/563582179.db2.gz YQXBUXCAKWAVBT-CYBMUJFWSA-N 1 0 385.302 2.768 20 0 GFADRO CS(=O)(=O)N[C@@H]1CCCC[C@@H]1[NH2+]Cc1cn2cc(Cl)cc(Cl)c2n1 ZINC000332254101 563587594 /nfs/dbraw/zinc/58/75/94/563587594.db2.gz UREGGJRCFZWVHM-UONOGXRCSA-N 1 0 391.324 2.591 20 0 GFADRO CCOC(=O)Cc1csc(NC(=O)C[N@H+](C)C2CCC(F)(F)CC2)n1 ZINC000287124976 563587975 /nfs/dbraw/zinc/58/79/75/563587975.db2.gz ZJSAQDFCKNKUGG-UHFFFAOYSA-N 1 0 375.441 2.697 20 0 GFADRO [NH3+][C@@H]1CCN(C(=O)C(=O)N2CCC(=Cc3cc(Cl)ccc3Cl)CC2)C1 ZINC000332294933 563591125 /nfs/dbraw/zinc/59/11/25/563591125.db2.gz OHTZZYGKKRQSOX-OAHLLOKOSA-N 1 0 382.291 2.559 20 0 GFADRO COc1ccc(Br)c(OCC(=O)NC2CC[NH+](C(C)C)CC2)c1 ZINC000432726016 563591586 /nfs/dbraw/zinc/59/15/86/563591586.db2.gz CIQFQPWVJSZQFA-UHFFFAOYSA-N 1 0 385.302 2.826 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)Nc2cc(F)c(Br)c(Cl)c2)CCCO1 ZINC000332302973 563591795 /nfs/dbraw/zinc/59/17/95/563591795.db2.gz LNSUVVUWJSUYCK-VIFPVBQESA-N 1 0 380.645 2.823 20 0 GFADRO C[C@]1(CN[C@H]2CCS(=O)(=O)c3ccc(Br)cc32)CCC[NH2+]C1 ZINC000332375825 563595723 /nfs/dbraw/zinc/59/57/23/563595723.db2.gz RNCLAKZRDWKSOZ-HOCLYGCPSA-N 1 0 387.343 2.647 20 0 GFADRO CNC(=O)c1cccc(NC(=O)N2CCC[C@H]([NH+](C)C)CC2)c1Br ZINC000287334886 563596798 /nfs/dbraw/zinc/59/67/98/563596798.db2.gz IFYOOCIVUCTQJY-LBPRGKRZSA-N 1 0 397.317 2.757 20 0 GFADRO O=C(Nc1ccccc1I)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000332553477 563604316 /nfs/dbraw/zinc/60/43/16/563604316.db2.gz LHPRUWHRGIOUIU-QJPTWQEYSA-N 1 0 385.249 2.801 20 0 GFADRO NS(=O)(=O)c1ccc(CNC2CC[NH+](C3CCCCC3)CC2)cc1Cl ZINC000332563207 563605048 /nfs/dbraw/zinc/60/50/48/563605048.db2.gz WCLSGJJLRJFIQF-UHFFFAOYSA-N 1 0 385.961 2.874 20 0 GFADRO CNC(=O)c1cccc(NC(=O)N(C)CCC[NH+]2CCCC2)c1Br ZINC000287523067 563605770 /nfs/dbraw/zinc/60/57/70/563605770.db2.gz VNILZUXOYUBXSN-UHFFFAOYSA-N 1 0 397.317 2.758 20 0 GFADRO CN(C[C@@H]1CCC[N@H+](C)C1)[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000433237460 563607534 /nfs/dbraw/zinc/60/75/34/563607534.db2.gz XCNBQFSZPBLTBI-PBHICJAKSA-N 1 0 380.330 2.828 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)CC[N@@H+]1C ZINC000332627217 563608090 /nfs/dbraw/zinc/60/80/90/563608090.db2.gz GEULUTAKYHLDTH-YRGRVCCFSA-N 1 0 384.307 2.945 20 0 GFADRO CN(CC1([NH+](C)C)CCC1)[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000433274334 563608483 /nfs/dbraw/zinc/60/84/83/563608483.db2.gz MOCMPPUSCCHDCT-MRXNPFEDSA-N 1 0 380.330 2.971 20 0 GFADRO Cc1cc(Br)c(NC(=O)C(=O)N[C@@H](C)CC[NH+](C)C)cc1Cl ZINC000411188326 563609289 /nfs/dbraw/zinc/60/92/89/563609289.db2.gz CWTCVNDUGVVXNS-JTQLQIEISA-N 1 0 390.709 2.806 20 0 GFADRO C[C@H]1C[C@@H](NC(=O)c2nn(-c3ccc(F)cc3)cc2Br)CC[N@@H+]1C ZINC000332665218 563610973 /nfs/dbraw/zinc/61/09/73/563610973.db2.gz OZOHAJROWARPSA-AAEUAGOBSA-N 1 0 395.276 2.986 20 0 GFADRO C[C@@H](O)C[N@@H+]1CCN(Cc2c(F)c(F)c(Br)c(F)c2F)C[C@@H]1C ZINC000411237630 563611203 /nfs/dbraw/zinc/61/12/03/563611203.db2.gz JZERFECCVZKHQR-DTWKUNHWSA-N 1 0 399.226 2.892 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(C)(C)S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000287637540 563611476 /nfs/dbraw/zinc/61/14/76/563611476.db2.gz GBQLGZMNAVWZPI-LSDHHAIUSA-N 1 0 386.945 2.881 20 0 GFADRO CC(C)[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000332703036 563612334 /nfs/dbraw/zinc/61/23/34/563612334.db2.gz UKCQBXTXWGQXGO-WOSRLPQWSA-N 1 0 383.945 2.899 20 0 GFADRO C[NH+](C)CC1(NC(=O)Nc2ccc3nccnc3c2Br)CCC1 ZINC000287806495 563618585 /nfs/dbraw/zinc/61/85/85/563618585.db2.gz UMNIJARUUIXJBU-UHFFFAOYSA-N 1 0 378.274 2.998 20 0 GFADRO CS[C@H]1C[N@H+](CCC(=O)Nc2cccc(Br)c2)C[C@H]1N(C)C ZINC000411416333 563618949 /nfs/dbraw/zinc/61/89/49/563618949.db2.gz DNPWWZSJMWSBAD-CABCVRRESA-N 1 0 386.359 2.755 20 0 GFADRO C[NH+](C)CCOc1ccc(CCNC(=O)c2ncsc2Br)cc1 ZINC000287819776 563619439 /nfs/dbraw/zinc/61/94/39/563619439.db2.gz ABOBWYGHAIINCX-UHFFFAOYSA-N 1 0 398.326 2.819 20 0 GFADRO O=C(Nc1ccc(F)cc1Br)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000333153847 563621966 /nfs/dbraw/zinc/62/19/66/563621966.db2.gz MSXVSFREEJPUMQ-UHFFFAOYSA-N 1 0 399.308 2.926 20 0 GFADRO C[C@H](CNc1ccc(Br)c(C(F)(F)F)n1)N1CC[NH+](C)CC1 ZINC000287932687 563623342 /nfs/dbraw/zinc/62/33/42/563623342.db2.gz PNNFZIDVOYWHJZ-SNVBAGLBSA-N 1 0 381.240 2.911 20 0 GFADRO COc1ccc(C(=O)N2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)cc1Br ZINC000333285775 563626583 /nfs/dbraw/zinc/62/65/83/563626583.db2.gz NHSRCBVAANHXIN-PBHICJAKSA-N 1 0 397.313 2.816 20 0 GFADRO C[C@H]1C[C@@H](N(C)S(=O)(=O)Cc2cccc(Br)c2)CC[N@@H+]1C ZINC000288045345 563626854 /nfs/dbraw/zinc/62/68/54/563626854.db2.gz IHOGYKDDEFNNMA-WFASDCNBSA-N 1 0 375.332 2.693 20 0 GFADRO [NH3+][C@H]1CCO[C@@H](C2CCN(C(=O)c3ccc(Br)cc3F)CC2)C1 ZINC000333301244 563627385 /nfs/dbraw/zinc/62/73/85/563627385.db2.gz QBZCQMJNZRUTKK-XJKSGUPXSA-N 1 0 385.277 2.947 20 0 GFADRO [NH3+][C@H]1CCO[C@H](C2CCN(C(=O)Cc3ccc(Br)cc3)CC2)C1 ZINC000333314643 563627992 /nfs/dbraw/zinc/62/79/92/563627992.db2.gz SKRNHNDLAQBQML-IRXDYDNUSA-N 1 0 381.314 2.737 20 0 GFADRO O=C(Nc1ccc2nccnc2c1Br)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000333328337 563628205 /nfs/dbraw/zinc/62/82/05/563628205.db2.gz NWMSFXJCSIIUSA-MRXNPFEDSA-N 1 0 376.258 2.610 20 0 GFADRO Cc1c(Br)cccc1NC(=O)C(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000411673759 563629147 /nfs/dbraw/zinc/62/91/47/563629147.db2.gz OQDGXOXNOWWPDD-CYBMUJFWSA-N 1 0 382.302 2.544 20 0 GFADRO Cc1nn(-c2ccc(C(=O)N3CC[C@@H]4C[NH2+]C[C@@H]43)cc2)c(C)c1Br ZINC000333365004 563629254 /nfs/dbraw/zinc/62/92/54/563629254.db2.gz YGYCRVCZTVNJIF-ZBFHGGJFSA-N 1 0 389.297 2.686 20 0 GFADRO O=C(c1csc(Br)c1)N1CCC(n2ncc3c2C[NH2+]C3)CC1 ZINC000333369257 563629398 /nfs/dbraw/zinc/62/93/98/563629398.db2.gz FGPCZIYFAFYPDP-UHFFFAOYSA-N 1 0 381.299 2.788 20 0 GFADRO Cc1cc(Br)cc(NC(=O)C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)c1 ZINC000434555624 563632647 /nfs/dbraw/zinc/63/26/47/563632647.db2.gz KECVZXFYVVZYED-INIZCTEOSA-N 1 0 394.313 2.829 20 0 GFADRO CC1(C)Cc2ccc(Br)cc2[C@H]1[NH2+]CC(=O)NC[C@H]1CCCO1 ZINC000411760789 563633476 /nfs/dbraw/zinc/63/34/76/563633476.db2.gz SWNIYNJDKJAQEZ-RHSMWYFYSA-N 1 0 381.314 2.957 20 0 GFADRO O=C(c1cn([C@H]2CCC[NH2+]C2)nn1)N1CCc2cc(Cl)cc(Cl)c2C1 ZINC000333459677 563633525 /nfs/dbraw/zinc/63/35/25/563633525.db2.gz GEVZGTNFRCZDRV-ZDUSSCGKSA-N 1 0 380.279 2.708 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H]2CN(c3ncc(Cn4cc(Br)cn4)s3)C[C@@H]21 ZINC000333493102 563634081 /nfs/dbraw/zinc/63/40/81/563634081.db2.gz GXCWKZYIOCFGRU-DDTOSNHZSA-N 1 0 382.331 2.714 20 0 GFADRO COc1ccc(Br)cc1C(=O)CCC(=O)N1CC[NH2+][C@@H](C)[C@H]1C ZINC000434673590 563634637 /nfs/dbraw/zinc/63/46/37/563634637.db2.gz RJBRUGAYQKBQNO-NWDGAFQWSA-N 1 0 383.286 2.629 20 0 GFADRO CCc1nc(C(=O)N2CC[NH2+][C@H](C)[C@@H]2C)nn1-c1c(Cl)cccc1Cl ZINC000434702196 563635023 /nfs/dbraw/zinc/63/50/23/563635023.db2.gz BQLAUSJYXZVRAM-MNOVXSKESA-N 1 0 382.295 2.959 20 0 GFADRO COCC[C@H](Cc1cccc(Br)c1)C(=O)N1CC[NH2+][C@@H](C)[C@H]1C ZINC000434704541 563635701 /nfs/dbraw/zinc/63/57/01/563635701.db2.gz YLFCDLIKJAVVEB-SQWLQELKSA-N 1 0 383.330 2.853 20 0 GFADRO O=C(N[C@H](c1cncc(Br)c1)C1CC1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000333677529 563638692 /nfs/dbraw/zinc/63/86/92/563638692.db2.gz ZDAAOGYDHKBLSV-MAZHCROVSA-N 1 0 379.302 2.689 20 0 GFADRO CN(C(=O)N[C@H]1COc2cc(F)c(Br)cc21)[C@@H]1CCC[NH2+]CC1 ZINC000333723384 563640544 /nfs/dbraw/zinc/64/05/44/563640544.db2.gz GVLOZBZEPXININ-YGRLFVJLSA-N 1 0 386.265 2.805 20 0 GFADRO [NH3+][C@@H]1CCCO[C@H]1C1CCN(C(=O)c2ccc(F)c(Br)c2)CC1 ZINC000333774649 563641674 /nfs/dbraw/zinc/64/16/74/563641674.db2.gz CQLFTMLLAHEQHT-CVEARBPZSA-N 1 0 385.277 2.947 20 0 GFADRO [NH3+][C@H]1CCCO[C@@H]1C1CCN(C(=O)Cc2cccc(Br)c2)CC1 ZINC000333790869 563641957 /nfs/dbraw/zinc/64/19/57/563641957.db2.gz GEWNVNBVOIPWBM-FUHWJXTLSA-N 1 0 381.314 2.737 20 0 GFADRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)N[C@@H]3C[C@H]3c3ccc(Br)c(F)c3)C[C@@H]12 ZINC000333800058 563642478 /nfs/dbraw/zinc/64/24/78/563642478.db2.gz NYJZOEIXVVKXER-UPBMQRFZSA-N 1 0 382.277 2.823 20 0 GFADRO [NH3+][C@H]1CCCO[C@H]1C1CCN(C(=O)Cc2ccc(Br)cc2)CC1 ZINC000333843910 563642891 /nfs/dbraw/zinc/64/28/91/563642891.db2.gz OUSYTMKDVKNTQY-WMZOPIPTSA-N 1 0 381.314 2.737 20 0 GFADRO O=C(CN1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21)Nc1cccc(Cl)c1Cl ZINC000333843346 563643159 /nfs/dbraw/zinc/64/31/59/563643159.db2.gz LSWWUOOFWAMAQK-DOMZBBRYSA-N 1 0 384.307 2.632 20 0 GFADRO O=C(C[NH2+][C@H](CO)[C@@H]1CCCOC1)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000411995906 563644225 /nfs/dbraw/zinc/64/42/25/563644225.db2.gz QXAZQEURDSDKMN-QMTHXVAHSA-N 1 0 380.794 2.674 20 0 GFADRO COC1([C@H](C)[NH2+]CC(=O)Nc2ccc(I)cc2)CCC1 ZINC000412018633 563644892 /nfs/dbraw/zinc/64/48/92/563644892.db2.gz BYXMWEGVLOKTSM-NSHDSACASA-N 1 0 388.249 2.777 20 0 GFADRO CN(CCn1cc(Br)cn1)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000288511361 563646307 /nfs/dbraw/zinc/64/63/07/563646307.db2.gz GHUXPQAMNZHKFB-UHFFFAOYSA-N 1 0 386.338 2.550 20 0 GFADRO O=C(N[C@@H]1CCOc2ccc(Br)cc21)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000333949912 563646652 /nfs/dbraw/zinc/64/66/52/563646652.db2.gz XQZXSBJYTCTYKB-KCPJHIHWSA-N 1 0 380.286 2.666 20 0 GFADRO O=C(c1ccc(I)c(Cl)c1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000435240220 563646805 /nfs/dbraw/zinc/64/68/05/563646805.db2.gz NGLYTHLQLUUANJ-LLVKDONJSA-N 1 0 390.652 2.911 20 0 GFADRO Cn1ccnc1Sc1ncc(C(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)cc1Cl ZINC000435238201 563646809 /nfs/dbraw/zinc/64/68/09/563646809.db2.gz CQZUHBMRUOBSBL-CYBMUJFWSA-N 1 0 377.901 2.586 20 0 GFADRO CC(C)[N@@H+](CC(=O)N(C)Cc1cc(Cl)cc(Cl)c1)C[C@@H]1CCC(=O)N1 ZINC000412094251 563647475 /nfs/dbraw/zinc/64/74/75/563647475.db2.gz XAKMSAUVTHEXQL-INIZCTEOSA-N 1 0 386.323 2.941 20 0 GFADRO C[N@H+](CCC(=O)Nc1cccc(Br)c1)C(C)(C)CN1CCOCC1 ZINC000412086804 563647726 /nfs/dbraw/zinc/64/77/26/563647726.db2.gz BNOJNVWLFMSFBB-UHFFFAOYSA-N 1 0 398.345 2.820 20 0 GFADRO CCOC(=O)COc1c(Br)cc(C)cc1CN(C)C1CC[NH2+]CC1 ZINC000435376980 563648798 /nfs/dbraw/zinc/64/87/98/563648798.db2.gz WXEPGRSJZLFXJH-UHFFFAOYSA-N 1 0 399.329 2.883 20 0 GFADRO COC(=O)CC[C@H]([NH3+])C(=O)NC1(c2ccc(Br)cc2)CCCC1 ZINC000288598958 563649553 /nfs/dbraw/zinc/64/95/53/563649553.db2.gz KIXUEZVYINBVRB-AWEZNQCLSA-N 1 0 383.286 2.615 20 0 GFADRO Cn1ccnc1CN(Cc1ccc(Br)cn1)[C@H]1CC12CC[NH2+]CC2 ZINC000435433001 563650449 /nfs/dbraw/zinc/65/04/49/563650449.db2.gz LOHGJHVEKLCLPB-INIZCTEOSA-N 1 0 390.329 2.722 20 0 GFADRO C[NH+]1CCC(CNC(=O)c2cc(Cl)sc2Cl)(N2CCOCC2)CC1 ZINC000412474283 563658952 /nfs/dbraw/zinc/65/89/52/563658952.db2.gz LILZKRVKAQRRKQ-UHFFFAOYSA-N 1 0 392.352 2.581 20 0 GFADRO C[NH+](C)C[C@H]1CN(Cc2ccc(Br)c(Br)c2)CCO1 ZINC000435874556 563660201 /nfs/dbraw/zinc/66/02/01/563660201.db2.gz LJKHFFVWQPBTEJ-LBPRGKRZSA-N 1 0 392.135 2.974 20 0 GFADRO CN1C[C@H](C[NH2+][C@@H](C(N)=O)c2cccc(Br)c2)Cc2ccccc21 ZINC000435990324 563662321 /nfs/dbraw/zinc/66/23/21/563662321.db2.gz AUISVVVBDYAHLG-SCLBCKFNSA-N 1 0 388.309 2.874 20 0 GFADRO Brc1ccn2cc(-c3nc([C@H]4C[N@@H+]5CCC[C@H]5CO4)no3)nc2c1 ZINC000288952312 563662889 /nfs/dbraw/zinc/66/28/89/563662889.db2.gz BDZICAJIEBISMI-WCQYABFASA-N 1 0 390.241 2.683 20 0 GFADRO C[N@@H+]1CC[C@H](c2nc(-c3n[nH]c(-c4cccc(Br)c4)n3)no2)C1 ZINC000349709750 563664449 /nfs/dbraw/zinc/66/44/49/563664449.db2.gz FWHNNHLYZKVEFR-JTQLQIEISA-N 1 0 375.230 2.703 20 0 GFADRO COC[C@@](C)(CCO)[NH2+]Cc1ccc(I)c(Cl)c1 ZINC000436146389 563664938 /nfs/dbraw/zinc/66/49/38/563664938.db2.gz AFTRBBCFBMYEJJ-CYBMUJFWSA-N 1 0 383.657 2.822 20 0 GFADRO COC(=O)[C@H](c1ccc(Cl)cc1Cl)N(C)C1CC[NH+](CCO)CC1 ZINC000436152606 563665448 /nfs/dbraw/zinc/66/54/48/563665448.db2.gz NBSMJYJODGDPCO-INIZCTEOSA-N 1 0 375.296 2.596 20 0 GFADRO COc1ccc(Cc2noc([C@@H]3CC[N@H+](C)C3)n2)c(Br)c1OC ZINC000350024615 563667482 /nfs/dbraw/zinc/66/74/82/563667482.db2.gz PHFXUWYAPGKCAC-LLVKDONJSA-N 1 0 382.258 2.859 20 0 GFADRO O=S(=O)(Cc1ccon1)NCC[NH2+]Cc1cc(Cl)cc(C(F)(F)F)c1 ZINC000436288591 563668298 /nfs/dbraw/zinc/66/82/98/563668298.db2.gz WARWXYDXHCTDJK-UHFFFAOYSA-N 1 0 397.806 2.556 20 0 GFADRO CN(CC[NH2+]Cc1c[nH]nc1-c1ccsc1)S(=O)(=O)c1cccs1 ZINC000436306419 563669108 /nfs/dbraw/zinc/66/91/08/563669108.db2.gz IEGLNJCUZSOJIF-UHFFFAOYSA-N 1 0 382.536 2.610 20 0 GFADRO Cc1[nH+]cc2n1CC[C@@H](c1nc(Cc3cc(Br)c[nH]c3=O)no1)C2 ZINC000350407481 563671679 /nfs/dbraw/zinc/67/16/79/563671679.db2.gz OHSRGHDGOJQDKU-SNVBAGLBSA-N 1 0 390.241 2.758 20 0 GFADRO CN(C)CC[N@H+](C)CCCNC(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000436498010 563672766 /nfs/dbraw/zinc/67/27/66/563672766.db2.gz QYCONUJKZINJAD-UHFFFAOYSA-N 1 0 378.851 2.946 20 0 GFADRO O=C(Nc1cnc2c(Br)cccn12)N1CC[NH+](CC2CC2)CC1 ZINC000436500384 563672776 /nfs/dbraw/zinc/67/27/76/563672776.db2.gz VOODIUUKLNRTFT-UHFFFAOYSA-N 1 0 378.274 2.656 20 0 GFADRO O=C(NCCC[NH+]1CCC(O)CC1)c1nc2ccccc2cc1Br ZINC000289266726 563673162 /nfs/dbraw/zinc/67/31/62/563673162.db2.gz GBGVOQFBVDYSBF-UHFFFAOYSA-N 1 0 392.297 2.574 20 0 GFADRO O=c1cc2c(n[nH]1)CCN(Cc1cc(Br)cc(Br)c1)C2 ZINC000289593341 563680001 /nfs/dbraw/zinc/68/00/01/563680001.db2.gz IPOMQUFPNZFVAX-UHFFFAOYSA-N 1 0 399.086 2.853 20 0 GFADRO COc1ncc(-c2nc([C@H]3CN4CCCC[C@H]4CO3)no2)cc1Br ZINC000351283207 563684914 /nfs/dbraw/zinc/68/49/14/563684914.db2.gz CAQDCUUKAWGFCE-WCQYABFASA-N 1 0 395.257 2.829 20 0 GFADRO Cc1cnc([C@@H]2CCC[N@H+](CCC(=O)Nc3sccc3C(N)=O)C2)s1 ZINC000360092826 563691567 /nfs/dbraw/zinc/69/15/67/563691567.db2.gz LVYHWJNDHPYMCP-GFCCVEGCSA-N 1 0 378.523 2.820 20 0 GFADRO C[C@@]1(C2CC[NH+](CCCc3ccccc3Br)CC2)NC(=O)NC1=O ZINC000360322748 563691843 /nfs/dbraw/zinc/69/18/43/563691843.db2.gz KVTNTSDCXHCRQM-SFHVURJKSA-N 1 0 394.313 2.692 20 0 GFADRO CC[N@@H+]1CC[C@H](NC(=O)NCCc2c[nH]c3ccc(Br)cc23)C1 ZINC000413442051 563692770 /nfs/dbraw/zinc/69/27/70/563692770.db2.gz DKPPILFZUCQQNV-AWEZNQCLSA-N 1 0 379.302 2.866 20 0 GFADRO [NH3+][C@H]1CCc2nc(NC(=O)[C@H]3COc4ccc(Br)cc43)sc2C1 ZINC000289966368 563692921 /nfs/dbraw/zinc/69/29/21/563692921.db2.gz PYYSMUQENZDQFD-ONGXEEELSA-N 1 0 394.294 2.836 20 0 GFADRO COC(=O)[C@@H]1CN(c2ccc3cc(Br)c(F)cc3n2)CC[N@H+](C)C1 ZINC000413491703 563694515 /nfs/dbraw/zinc/69/45/15/563694515.db2.gz BLPCATBFLHHPDX-LBPRGKRZSA-N 1 0 396.260 2.677 20 0 GFADRO OC[C@@H](C[NH2+]Cc1cc(Br)cc(Br)c1)[C@@H]1CCOC1 ZINC000290083745 563697346 /nfs/dbraw/zinc/69/73/46/563697346.db2.gz JCMWENVFCPOWQR-VXGBXAGGSA-N 1 0 393.119 2.946 20 0 GFADRO O=S(=O)(c1ccc(Cl)s1)N1CCC[N@H+](CC[C@H]2CCOC2)CC1 ZINC000437739423 563698693 /nfs/dbraw/zinc/69/86/93/563698693.db2.gz AAUSQJSJGQPRKP-ZDUSSCGKSA-N 1 0 378.947 2.525 20 0 GFADRO O=C(CC[N@@H+]1CCSC[C@@H]1c1cccs1)NC(=O)NCC(F)(F)F ZINC000361377935 563699376 /nfs/dbraw/zinc/69/93/76/563699376.db2.gz LLZADMQVLGSAIQ-SNVBAGLBSA-N 1 0 381.445 2.616 20 0 GFADRO O=C(CCc1cc(Br)cs1)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000361701477 563701419 /nfs/dbraw/zinc/70/14/19/563701419.db2.gz PYTNYNDLNGERDQ-HUUCEWRRSA-N 1 0 387.343 2.501 20 0 GFADRO O=C(C[C@@H]1CCC[NH2+]1)N1CCC[C@H]1C(=O)Nc1ccc(Br)cc1 ZINC000361969318 563702257 /nfs/dbraw/zinc/70/22/57/563702257.db2.gz XRRFLBHDWYHULQ-GJZGRUSLSA-N 1 0 380.286 2.521 20 0 GFADRO C[C@]1([C@H]2CCC[N@@H+]([C@H]3CCc4c3cccc4Br)C2)NC(=O)NC1=O ZINC000362139376 563703711 /nfs/dbraw/zinc/70/37/11/563703711.db2.gz FJEWDPVKCRBAMB-GEWABHDNSA-N 1 0 392.297 2.747 20 0 GFADRO CS(=O)(=O)c1cc(C(=O)N2CCC3(C2)CC[NH2+]CC3)c(Cl)cc1Cl ZINC000362280370 563705216 /nfs/dbraw/zinc/70/52/16/563705216.db2.gz NIDZQGLTUDUHDP-UHFFFAOYSA-N 1 0 391.320 2.613 20 0 GFADRO O=C(c1cc(Br)cc(Br)c1)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000290340182 563705252 /nfs/dbraw/zinc/70/52/52/563705252.db2.gz HZRXLJLLTRYKOJ-ONGXEEELSA-N 1 0 388.103 2.893 20 0 GFADRO O=C(c1cc(Br)cc(Br)c1)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000290340174 563705415 /nfs/dbraw/zinc/70/54/15/563705415.db2.gz HZRXLJLLTRYKOJ-KOLCDFICSA-N 1 0 388.103 2.893 20 0 GFADRO O=C(c1cnn2cc(Br)cnc12)N1CCC([NH2+]C2CCCC2)CC1 ZINC000362335367 563706172 /nfs/dbraw/zinc/70/61/72/563706172.db2.gz KUMSWUXKUVBVDW-UHFFFAOYSA-N 1 0 392.301 2.629 20 0 GFADRO COc1ccsc1S(=O)(=O)N1C[C@@H]2[C@H](c3ccccc3)[N@@H+](C)C[C@H]2C1 ZINC000362829901 563709416 /nfs/dbraw/zinc/70/94/16/563709416.db2.gz LHHDNFMMQOVMAL-ZOBUZTSGSA-N 1 0 378.519 2.680 20 0 GFADRO CN1C(=O)N[C@@]2(CCC[C@@H]2C[NH2+]Cc2cnc(-c3cccs3)s2)C1=O ZINC000362840733 563710052 /nfs/dbraw/zinc/71/00/52/563710052.db2.gz QVCWIGOLEOJABE-PIGZYNQJSA-N 1 0 376.507 2.682 20 0 GFADRO COC(=O)[C@@H]1CN(C(=O)c2cc3c(ccc(Cl)c3Cl)[nH]2)CC[N@H+](C)C1 ZINC000413923271 563711105 /nfs/dbraw/zinc/71/11/05/563711105.db2.gz QUSNLQCXKRAMLB-JTQLQIEISA-N 1 0 384.263 2.652 20 0 GFADRO Brc1ccc(-c2c[nH]c(CNC[C@H]3C[N@@H+]4CCC[C@@H]4CO3)n2)cc1 ZINC000363001516 563711868 /nfs/dbraw/zinc/71/18/68/563711868.db2.gz UBVNJRWWTMAKHT-CVEARBPZSA-N 1 0 391.313 2.792 20 0 GFADRO C[C@@H]1C[NH+](C[C@@H](O)Cn2ccnc2-c2cccc(Br)c2)C[C@@H](C)O1 ZINC000438829832 563711963 /nfs/dbraw/zinc/71/19/63/563711963.db2.gz RUDOHSZMFXOQAI-CKEIUWERSA-N 1 0 394.313 2.783 20 0 GFADRO CNS(=O)(=O)NC1CC[NH+](CCCCc2ccc(Cl)c(Cl)c2)CC1 ZINC000438858444 563712784 /nfs/dbraw/zinc/71/27/84/563712784.db2.gz OFTWAPWZKFPJLL-UHFFFAOYSA-N 1 0 394.368 2.834 20 0 GFADRO C[NH+](C)CC1CCN(C(=O)C[C@H]2Sc3ccc(Cl)cc3NC2=O)CC1 ZINC000363064497 563713553 /nfs/dbraw/zinc/71/35/53/563713553.db2.gz CAQSYVOLLDWWCH-MRXNPFEDSA-N 1 0 381.929 2.943 20 0 GFADRO C[C@H]1C[C@H](C(=O)Nc2cc(Br)ccc2N2CC[NH+](C)CC2)CO1 ZINC000438948429 563713829 /nfs/dbraw/zinc/71/38/29/563713829.db2.gz BSUZLIIPZLJMNO-STQMWFEESA-N 1 0 382.302 2.564 20 0 GFADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1cc2c(cccc2Br)[nH]1 ZINC000363087507 563714327 /nfs/dbraw/zinc/71/43/27/563714327.db2.gz ATHIDFIQEQIBEM-VXGBXAGGSA-N 1 0 378.270 2.523 20 0 GFADRO C[C@H](CN1CCC[C@@H](C)C1)[NH2+]C1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000363160203 563715773 /nfs/dbraw/zinc/71/57/73/563715773.db2.gz ALCWZDOOHPSXKZ-HZPDHXFCSA-N 1 0 385.599 2.611 20 0 GFADRO Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000290645439 563717222 /nfs/dbraw/zinc/71/72/22/563717222.db2.gz ZDPPHWMYTMOKPR-NWDGAFQWSA-N 1 0 378.826 2.806 20 0 GFADRO Cc1ccc2nc(C[NH2+][C@H](C)Cn3cc(Br)ccc3=O)cn2c1 ZINC000414065235 563717309 /nfs/dbraw/zinc/71/73/09/563717309.db2.gz FUMWURZGKXVEOD-CYBMUJFWSA-N 1 0 375.270 2.745 20 0 GFADRO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]CCN(C)Cc1ccccc1 ZINC000414065841 563717397 /nfs/dbraw/zinc/71/73/97/563717397.db2.gz HLBGHLNPTHAPDY-HNNXBMFYSA-N 1 0 378.314 2.721 20 0 GFADRO Cc1c(Br)cccc1C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000363278145 563718143 /nfs/dbraw/zinc/71/81/43/563718143.db2.gz JPOABYLKSGAZFP-OAHLLOKOSA-N 1 0 380.330 2.610 20 0 GFADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]CCOc1ccc(Cl)cn1 ZINC000414088232 563718836 /nfs/dbraw/zinc/71/88/36/563718836.db2.gz JEYZEICXWMRHTR-LLVKDONJSA-N 1 0 386.677 2.716 20 0 GFADRO C[C@@H](C(=O)Nc1nc2ccccc2s1)N1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000363363672 563720757 /nfs/dbraw/zinc/72/07/57/563720757.db2.gz CCXPQWHTQOVAND-UONOGXRCSA-N 1 0 376.551 2.746 20 0 GFADRO C[C@H](Cn1cc(Br)ccc1=O)[N@@H+]1CCC[C@H](CC(C)(C)C(N)=O)C1 ZINC000414152271 563721161 /nfs/dbraw/zinc/72/11/61/563721161.db2.gz XCDBRZLIQQRPEZ-ZIAGYGMSSA-N 1 0 398.345 2.613 20 0 GFADRO CCOC(=O)C[C@H](C)[N@H+](C)C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000439432401 563723894 /nfs/dbraw/zinc/72/38/94/563723894.db2.gz TWILAUUPLDEMJR-FZMZJTMJSA-N 1 0 392.265 2.601 20 0 GFADRO COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]CCC(C)(C)S(C)(=O)=O ZINC000414266108 563723960 /nfs/dbraw/zinc/72/39/60/563723960.db2.gz RCORPBWFEGHESD-GFCCVEGCSA-N 1 0 390.933 2.869 20 0 GFADRO CCC1(O)CC[NH+](C[C@H](O)COc2cc(F)cc(Br)c2)CC1 ZINC000439433037 563724813 /nfs/dbraw/zinc/72/48/13/563724813.db2.gz XZVAOSJUDFPZLT-AWEZNQCLSA-N 1 0 376.266 2.565 20 0 GFADRO C[N@H+](C[C@@H](O)COc1cc(F)cc(Br)c1)C[C@@H]1CCCCO1 ZINC000439433726 563724894 /nfs/dbraw/zinc/72/48/94/563724894.db2.gz CFDLUJNDSKSFDD-CABCVRRESA-N 1 0 376.266 2.829 20 0 GFADRO CC[C@H]([NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1)[C@H]1CCCO1 ZINC000439454380 563725244 /nfs/dbraw/zinc/72/52/44/563725244.db2.gz NGTUIJNAHHSXSQ-VNQPRFMTSA-N 1 0 376.266 2.875 20 0 GFADRO CC[N@H+](C)C[C@@H]1CCN(C[C@@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000439444055 563725689 /nfs/dbraw/zinc/72/56/89/563725689.db2.gz BMFLSDIYQWAJFP-XJKSGUPXSA-N 1 0 389.309 2.602 20 0 GFADRO CNc1snc(C)c1C(=O)N[C@H]1CC[N@H+](Cc2cnc(C)s2)C[C@@H]1C ZINC000363550350 563725926 /nfs/dbraw/zinc/72/59/26/563725926.db2.gz AHQHUMJHQKDGHK-HZMBPMFUSA-N 1 0 379.555 2.899 20 0 GFADRO C[C@H](Cn1cc(Br)cn1)[NH2+][C@@H]1CCN(c2ccc(F)cc2)C1=O ZINC000414316058 563726124 /nfs/dbraw/zinc/72/61/24/563726124.db2.gz NLFVSVLKVMUAJB-IAQYHMDHSA-N 1 0 381.249 2.568 20 0 GFADRO C[C@@H]1C[N@@H+](C2CCN(C(=O)c3ccc(F)cc3Br)CC2)CCO1 ZINC000363630260 563728496 /nfs/dbraw/zinc/72/84/96/563728496.db2.gz PGCDSDPGQGPWGL-GFCCVEGCSA-N 1 0 385.277 2.914 20 0 GFADRO CN1CCC(CNC(=O)c2ccc(Br)cn2)([NH+]2CCCCC2)CC1 ZINC000363643847 563729307 /nfs/dbraw/zinc/72/93/07/563729307.db2.gz VWDUORBWROXZIW-UHFFFAOYSA-N 1 0 395.345 2.524 20 0 GFADRO COc1ccc(C[C@H](C)C[NH2+]Cc2ccc(S(N)(=O)=O)c(Cl)c2)cc1 ZINC000414367094 563729890 /nfs/dbraw/zinc/72/98/90/563729890.db2.gz PSLLACBNUZTGCS-ZDUSSCGKSA-N 1 0 382.913 2.964 20 0 GFADRO O=C(c1cc2c(cc(Br)cc2F)[nH]1)N1CCN([C@@H]2CCOC2)CC1 ZINC000363709057 563730831 /nfs/dbraw/zinc/73/08/31/563730831.db2.gz KZNTUQCBDMFIOZ-GFCCVEGCSA-N 1 0 396.260 2.616 20 0 GFADRO CS(=O)(=O)c1ccc(C[NH2+]CCOc2ccc(C(F)(F)F)cn2)s1 ZINC000414379230 563731474 /nfs/dbraw/zinc/73/14/74/563731474.db2.gz MIYFYRKVECBOOP-UHFFFAOYSA-N 1 0 380.413 2.734 20 0 GFADRO CC[NH+](CC)CCOCCNC(=O)NCc1cc(Br)ccc1C ZINC000439932111 563733488 /nfs/dbraw/zinc/73/34/88/563733488.db2.gz WLZZIYVLXGMCRO-UHFFFAOYSA-N 1 0 386.334 2.915 20 0 GFADRO COc1nc(C)c(Br)cc1C(=O)N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000363780840 563733537 /nfs/dbraw/zinc/73/35/37/563733537.db2.gz PFPRPUIXSQPRCD-DUVNUKRYSA-N 1 0 394.313 2.717 20 0 GFADRO C[C@H]([NH2+]C[C@H]1CCN(S(C)(=O)=O)C1)c1csc(-c2ccccc2F)n1 ZINC000291266478 563736984 /nfs/dbraw/zinc/73/69/84/563736984.db2.gz QJITURNPARBRDQ-QWHCGFSZSA-N 1 0 383.514 2.881 20 0 GFADRO CC[NH2+]CC1CCN(S(=O)(=O)c2ccc(OCC(F)(F)F)cc2)CC1 ZINC000440416774 563741451 /nfs/dbraw/zinc/74/14/51/563741451.db2.gz WUHCLMNEHFSMMO-UHFFFAOYSA-N 1 0 380.432 2.638 20 0 GFADRO Cc1cccc(S(=O)(=O)N2CC[C@H](OCC[NH+]3CCCCC3)C2)c1Cl ZINC000414464984 563741954 /nfs/dbraw/zinc/74/19/54/563741954.db2.gz QMEUSEGIMHORHO-INIZCTEOSA-N 1 0 386.945 2.914 20 0 GFADRO O=S(=O)(c1cc(Br)sc1Cl)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000440436762 563742156 /nfs/dbraw/zinc/74/21/56/563742156.db2.gz JFJLPOHRVGFVMI-QMMMGPOBSA-N 1 0 385.736 2.679 20 0 GFADRO C[C@@H]1CCCN(S(=O)(=O)c2cc(Br)sc2Cl)[C@@H]1C[NH3+] ZINC000440439722 563742307 /nfs/dbraw/zinc/74/23/07/563742307.db2.gz GQAPKURYZFJTQC-HTQZYQBOSA-N 1 0 387.752 2.912 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CCCN(S(=O)(=O)c2cc(Br)sc2Cl)C1 ZINC000440443891 563742397 /nfs/dbraw/zinc/74/23/97/563742397.db2.gz OCCMVXJNMKYVTG-SFYZADRCSA-N 1 0 387.752 2.912 20 0 GFADRO O=S(=O)(c1csc(-c2ccc(Cl)cc2)n1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000440449007 563742462 /nfs/dbraw/zinc/74/24/62/563742462.db2.gz WGDYGZQJAFLUNI-AWEZNQCLSA-N 1 0 383.926 2.979 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+][C@H]1CS[C@@H](C)C1 ZINC000414495012 563744256 /nfs/dbraw/zinc/74/42/56/563744256.db2.gz GLUVGXNJWHJKGV-COPLHBTASA-N 1 0 387.343 2.946 20 0 GFADRO O=C(N[C@@H]1CCC[NH2+]CC1)[C@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1 ZINC000364166004 563745426 /nfs/dbraw/zinc/74/54/26/563745426.db2.gz DHODEDOWJIHARA-CZUORRHYSA-N 1 0 384.307 2.856 20 0 GFADRO CN1CCC([N@@H+]2CC[C@@H](NC(=O)CCc3cccc(Br)c3)C2)CC1 ZINC000364204846 563746348 /nfs/dbraw/zinc/74/63/48/563746348.db2.gz BVBXYTKTHWMGJJ-QGZVFWFLSA-N 1 0 394.357 2.666 20 0 GFADRO C[NH+]1CCC(Oc2cc(NC(=O)c3ccc(Br)cn3)ccn2)CC1 ZINC000364197673 563746373 /nfs/dbraw/zinc/74/63/73/563746373.db2.gz VERKPZLRBBRINN-UHFFFAOYSA-N 1 0 391.269 2.964 20 0 GFADRO Cc1cc(Br)cn2c(C[N@@H+](C)C(C)(C)CN3CCOCC3)cnc12 ZINC000414567832 563747047 /nfs/dbraw/zinc/74/70/47/563747047.db2.gz LEXGUNDVUGTKKP-UHFFFAOYSA-N 1 0 395.345 2.948 20 0 GFADRO CC(C)[N@@H+](Cc1cc(Br)c2c(c1)OCCO2)C[C@@H]1CCC(=O)N1 ZINC000414565518 563747104 /nfs/dbraw/zinc/74/71/04/563747104.db2.gz YSESCYUFVYHCAN-ZDUSSCGKSA-N 1 0 383.286 2.709 20 0 GFADRO CS(=O)(=O)CC1(C[NH2+]Cc2ccc(I)cc2)CCC1 ZINC000414556149 563747198 /nfs/dbraw/zinc/74/71/98/563747198.db2.gz NPJHZYDNMNOXIY-UHFFFAOYSA-N 1 0 393.290 2.596 20 0 GFADRO Cc1[nH+]c2ccc(Br)cc2c(N2CCC(S(N)(=O)=O)CC2)c1C ZINC000364258988 563747674 /nfs/dbraw/zinc/74/76/74/563747674.db2.gz ROLNDHBNYLROMD-UHFFFAOYSA-N 1 0 398.326 2.871 20 0 GFADRO CCC[N@H+](CC)C[C@@H](C)NC(=O)C[C@](O)(c1nc(C)cs1)C(F)(F)F ZINC000291570613 563747924 /nfs/dbraw/zinc/74/79/24/563747924.db2.gz OZYZOAZJUJPGCE-ABAIWWIYSA-N 1 0 381.464 2.828 20 0 GFADRO COCCCOc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000440737501 563748945 /nfs/dbraw/zinc/74/89/45/563748945.db2.gz RXWSVNARIZJTBE-ZFWWWQNUSA-N 1 0 390.933 2.551 20 0 GFADRO C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1Br)[C@@H]1CCC[NH2+]C1 ZINC000440731995 563749015 /nfs/dbraw/zinc/74/90/15/563749015.db2.gz HATZRORVEKKXFH-NXEZZACHSA-N 1 0 381.723 2.769 20 0 GFADRO CC(C)[C@H]([NH3+])CNS(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCCCO1 ZINC000440735679 563749036 /nfs/dbraw/zinc/74/90/36/563749036.db2.gz OQSHNZXWRFASJE-HUUCEWRRSA-N 1 0 390.933 2.550 20 0 GFADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCCN2C(=O)c2ccc(Cl)s2)C1 ZINC000364298974 563749029 /nfs/dbraw/zinc/74/90/29/563749029.db2.gz XZOFVRZFQPXEKZ-UONOGXRCSA-N 1 0 383.945 2.806 20 0 GFADRO C[C@@H](C(=O)N[C@@H](C)CC[NH+]1CCN(C)CC1)c1cccc(Br)c1 ZINC000291598177 563749313 /nfs/dbraw/zinc/74/93/13/563749313.db2.gz BSQSELHQEJLXOZ-LSDHHAIUSA-N 1 0 382.346 2.695 20 0 GFADRO COc1cc(Cl)c(S(=O)(=O)NCC2([NH3+])CCCCCC2)cc1OC ZINC000440751572 563749722 /nfs/dbraw/zinc/74/97/22/563749722.db2.gz VUBLLJCXHYIREA-UHFFFAOYSA-N 1 0 376.906 2.687 20 0 GFADRO [NH3+]CC[C@@H]1CCCN(C(=O)Nc2nnc(SCc3ccccc3)s2)C1 ZINC000414696159 563750417 /nfs/dbraw/zinc/75/04/17/563750417.db2.gz BCPMDOZRTMSEIP-ZDUSSCGKSA-N 1 0 377.539 3.423 20 0 GFADRO C[C@H]1CCN(C(=O)Nc2nnc(SCc3ccccc3)s2)[C@@H](C[NH3+])C1 ZINC000414716533 563750779 /nfs/dbraw/zinc/75/07/79/563750779.db2.gz YJPOALVATSRGDP-GXTWGEPZSA-N 1 0 377.539 3.422 20 0 GFADRO Cc1cc(S(=O)(=O)NC[C@@]2(C)CCC[NH2+]C2)c(C)cc1Br ZINC000440835050 563751108 /nfs/dbraw/zinc/75/11/08/563751108.db2.gz BYVYJROCLRCLPT-HNNXBMFYSA-N 1 0 375.332 2.734 20 0 GFADRO [NH3+]CC[C@@H]1CCCN(S(=O)(=O)c2cc(Br)sc2Cl)C1 ZINC000440811465 563751236 /nfs/dbraw/zinc/75/12/36/563751236.db2.gz SDUSJAZRSDVOCH-QMMMGPOBSA-N 1 0 387.752 2.914 20 0 GFADRO COCC1(C[NH2+]Cc2cnc3c(C)cc(Br)cn23)CCOCC1 ZINC000291641616 563751291 /nfs/dbraw/zinc/75/12/91/563751291.db2.gz BNQKGGZNQZQNTI-UHFFFAOYSA-N 1 0 382.302 2.938 20 0 GFADRO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NS(=O)(=O)c2cc(C)sc2C)cc1 ZINC000440850449 563752257 /nfs/dbraw/zinc/75/22/57/563752257.db2.gz CPDIXQVCSFNCSQ-IRXDYDNUSA-N 1 0 380.535 2.798 20 0 GFADRO COc1ccc([C@H]2CC[NH2+]C[C@@H]2NS(=O)(=O)c2ccccc2Cl)cc1 ZINC000440861236 563752369 /nfs/dbraw/zinc/75/23/69/563752369.db2.gz HDLVKPMZXDNIBT-WBVHZDCISA-N 1 0 380.897 2.773 20 0 GFADRO CO[C@@H]1CCN(S(=O)(=O)c2c(C)sc3ccc(Cl)cc32)[C@@H](C[NH3+])C1 ZINC000440855505 563752601 /nfs/dbraw/zinc/75/26/01/563752601.db2.gz NYUQYWDCIMBPEI-CHWSQXEVSA-N 1 0 388.942 2.990 20 0 GFADRO COc1cc(Br)c(OCC[N@H+](C)CCCO)cc1Br ZINC000440955367 563754131 /nfs/dbraw/zinc/75/41/31/563754131.db2.gz SHRRGUKDLDMMMA-UHFFFAOYSA-N 1 0 397.107 2.913 20 0 GFADRO O=C(C[C@@H]1CCC[NH2+]CC1)NC[C@H](O)COc1cccc(Cl)c1Cl ZINC000364488634 563754391 /nfs/dbraw/zinc/75/43/91/563754391.db2.gz ONHKNFGUKWOXAI-OLZOCXBDSA-N 1 0 375.296 2.629 20 0 GFADRO COc1ccc(Br)cc1NC(=O)N1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000414995024 563756356 /nfs/dbraw/zinc/75/63/56/563756356.db2.gz VOCKOGBCAHCEKT-LBPRGKRZSA-N 1 0 398.301 2.677 20 0 GFADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3nc(C4CC4)ncc3Br)CC[C@H]21 ZINC000291732328 563756584 /nfs/dbraw/zinc/75/65/84/563756584.db2.gz JUAQUOQRRVHKJZ-TZMCWYRMSA-N 1 0 379.302 2.673 20 0 GFADRO FC1(F)CNCC[C@H]1C[NH2+]Cc1cn(-c2ccc(Cl)c(Cl)c2)nn1 ZINC000415007094 563757079 /nfs/dbraw/zinc/75/70/79/563757079.db2.gz UMEBKBPXONYRHW-JTQLQIEISA-N 1 0 376.238 2.909 20 0 GFADRO CC(C)(C)S(=O)(=O)Cc1ccc(NC(=O)N[C@H](CC[NH3+])C(F)F)cc1 ZINC000415067190 563757866 /nfs/dbraw/zinc/75/78/66/563757866.db2.gz BXWVAMIBNISENO-CYBMUJFWSA-N 1 0 377.457 2.504 20 0 GFADRO [NH3+]CC[C@@H](NCc1ccc(Br)cc1N1CCOCC1)C(F)(F)F ZINC000415054236 563758000 /nfs/dbraw/zinc/75/80/00/563758000.db2.gz LHOVSLDNSUVLIG-CQSZACIVSA-N 1 0 396.251 2.655 20 0 GFADRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1nc(C2CC2)ncc1Br ZINC000291773610 563758196 /nfs/dbraw/zinc/75/81/96/563758196.db2.gz NXZYEOFEIMBLED-RYUDHWBXSA-N 1 0 381.318 2.967 20 0 GFADRO CCC1(O)CC[NH+](CC(=O)N(C)CCOc2ccc(Br)cc2)CC1 ZINC000441334322 563758282 /nfs/dbraw/zinc/75/82/82/563758282.db2.gz VSFZAGFRPJLPBB-UHFFFAOYSA-N 1 0 399.329 2.523 20 0 GFADRO CO[C@H]1CC[N@H+](CC(=O)N(C)Cc2cc(Br)cs2)[C@H](C)C1 ZINC000441345745 563758420 /nfs/dbraw/zinc/75/84/20/563758420.db2.gz LSZAJCYQJVWSEF-YPMHNXCESA-N 1 0 375.332 2.968 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)CCC[NH2+][C@H]1C(=O)NCC[C@@H]1C ZINC000441372124 563759110 /nfs/dbraw/zinc/75/91/10/563759110.db2.gz BJPDAIRJTPQDID-APPDUMDISA-N 1 0 396.329 2.899 20 0 GFADRO CC[C@H]([NH3+])CNC(=O)Nc1cc(Br)cnc1OCC(F)(F)F ZINC000415167644 563761689 /nfs/dbraw/zinc/76/16/89/563761689.db2.gz GZFPLOFCAHCVIT-QMMMGPOBSA-N 1 0 385.184 2.644 20 0 GFADRO CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1([NH3+])C(=O)NCc1cc(F)cc(Br)c1 ZINC000364722245 563762553 /nfs/dbraw/zinc/76/25/53/563762553.db2.gz FDPJBTZPQXIARB-JJRVBVJISA-N 1 0 385.277 2.737 20 0 GFADRO [NH3+][C@H](CNC(=O)Nc1ccc(CCn2cc(Br)cn2)cc1)C1CC1 ZINC000415217189 563762837 /nfs/dbraw/zinc/76/28/37/563762837.db2.gz VGMNKXLWTJADLS-MRXNPFEDSA-N 1 0 392.301 2.747 20 0 GFADRO CC[NH2+]CCNC(=O)Nc1ccc(CCn2cc(Br)cn2)cc1 ZINC000415217446 563763226 /nfs/dbraw/zinc/76/32/26/563763226.db2.gz VMMNLYBFMKQCIV-UHFFFAOYSA-N 1 0 380.290 2.619 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)Nc2cc(F)c(F)cc2I)C1 ZINC000415237420 563763233 /nfs/dbraw/zinc/76/32/33/563763233.db2.gz ILRKHWYKBSWPHJ-HTQZYQBOSA-N 1 0 395.191 2.770 20 0 GFADRO CN(C(=O)Nc1ccc(F)cc1I)C1CC[NH2+]CC1 ZINC000415250477 563763519 /nfs/dbraw/zinc/76/35/19/563763519.db2.gz LQSSYULZWVHHNP-UHFFFAOYSA-N 1 0 377.201 2.646 20 0 GFADRO C[C@@H](C(=O)Nc1ccc(=O)n(CC[NH+](C)C)c1)c1cccc(Br)c1 ZINC000291884980 563763597 /nfs/dbraw/zinc/76/35/97/563763597.db2.gz JJIOJUHKWBYFLA-CYBMUJFWSA-N 1 0 392.297 2.915 20 0 GFADRO C[C@H](C(=O)Nc1cccc(Br)c1)N1CCC(F)(F)[C@@H](CO)C1 ZINC000291887488 563763638 /nfs/dbraw/zinc/76/36/38/563763638.db2.gz QNINQHSCFGZHHR-GHMZBOCLSA-N 1 0 377.229 2.726 20 0 GFADRO CC(C)(C)[C@@H](C[NH3+])NC(=O)Nc1ccc(F)cc1I ZINC000415255689 563764360 /nfs/dbraw/zinc/76/43/60/563764360.db2.gz VQCHGHQYPPCCAM-LLVKDONJSA-N 1 0 379.217 2.925 20 0 GFADRO COCC1(CNC(=O)Nc2ccc(Br)c(OC)c2)CC[NH2+]CC1 ZINC000415276912 563765068 /nfs/dbraw/zinc/76/50/68/563765068.db2.gz WLDMEWTZJKKDPC-UHFFFAOYSA-N 1 0 386.290 2.595 20 0 GFADRO O=C(CC[C@H]1CCC[NH2+]1)Nc1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 ZINC000291940304 563765527 /nfs/dbraw/zinc/76/55/27/563765527.db2.gz UHCJEVHKXMPWCU-CYBMUJFWSA-N 1 0 385.917 2.595 20 0 GFADRO CSCC[C@@H]1NC(=S)N([C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1=O ZINC000364867045 563766515 /nfs/dbraw/zinc/76/65/15/563766515.db2.gz BWEBILOXNZVBLG-UAGQMJEPSA-N 1 0 377.579 2.735 20 0 GFADRO C[C@@H]1[C@H](NC(=O)c2c[nH]c(=O)c(Br)c2)CC[N@@H+]1Cc1ccccc1 ZINC000291964596 563766826 /nfs/dbraw/zinc/76/68/26/563766826.db2.gz WXCMKAJPDMPWEX-MLGOLLRUSA-N 1 0 390.281 2.943 20 0 GFADRO COC(=O)c1cc(Br)ccc1NC(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000415322138 563766924 /nfs/dbraw/zinc/76/69/24/563766924.db2.gz BJLXCFABMUUICA-MFKMUULPSA-N 1 0 384.274 2.875 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2ccc(C(=O)OC)c(Cl)c2)C[C@@H]1C ZINC000441993890 563767143 /nfs/dbraw/zinc/76/71/43/563767143.db2.gz UJYBBBKFEXDPAX-STQMWFEESA-N 1 0 388.917 2.620 20 0 GFADRO COC(=O)C[C@H](NC(=O)CC[C@H]1CCC[NH2+]1)c1ccc(Br)cc1 ZINC000291980601 563767462 /nfs/dbraw/zinc/76/74/62/563767462.db2.gz YTMZMSLOOWVAJL-CABCVRRESA-N 1 0 383.286 2.702 20 0 GFADRO [NH3+][C@@H]1CN(S(=O)(=O)c2c(Cl)ccnc2Cl)C[C@H]1c1ccc(F)cc1 ZINC000364916177 563768457 /nfs/dbraw/zinc/76/84/57/563768457.db2.gz PCXIUHPZWBSRDF-WCQYABFASA-N 1 0 390.267 2.643 20 0 GFADRO COc1ccc(Br)cc1CNC(=O)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000291990776 563768504 /nfs/dbraw/zinc/76/85/04/563768504.db2.gz XXIRBYHMLNITEU-KRWDZBQOSA-N 1 0 382.302 2.695 20 0 GFADRO CCOC(=O)c1cc(Br)ccc1NC(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000415348515 563768745 /nfs/dbraw/zinc/76/87/45/563768745.db2.gz KWPNYDYFZTZIMM-RISCZKNCSA-N 1 0 396.285 2.842 20 0 GFADRO C[C@@H](NC(=O)C(=O)Nc1cc(Cl)ccc1Br)[C@@H]1CCC[NH2+]C1 ZINC000415346861 563768896 /nfs/dbraw/zinc/76/88/96/563768896.db2.gz CIYIXBOULYLDFJ-NXEZZACHSA-N 1 0 388.693 2.545 20 0 GFADRO Cc1cnc(Br)c(NC(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c1 ZINC000292007589 563768969 /nfs/dbraw/zinc/76/89/69/563768969.db2.gz IIHGMVDXYYYBBD-CABCVRRESA-N 1 0 397.317 2.652 20 0 GFADRO O=C(CC[C@H]1CCC[NH2+]1)N1CCN(C(=O)c2c(Cl)cccc2Cl)CC1 ZINC000292000758 563769231 /nfs/dbraw/zinc/76/92/31/563769231.db2.gz CCUZFPMNPCLWNT-CYBMUJFWSA-N 1 0 384.307 2.810 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)Nc2cnn(-c3ccccc3Br)c2)CC[NH2+]1 ZINC000415353556 563769398 /nfs/dbraw/zinc/76/93/98/563769398.db2.gz MQWICVVFODGYQR-NEPJUHHUSA-N 1 0 378.274 2.897 20 0 GFADRO C[C@@H](CO)[N@@H+]1CCCN(C(=O)CCSc2nc3ccccc3s2)CC1 ZINC000364934062 563769578 /nfs/dbraw/zinc/76/95/78/563769578.db2.gz JFVOTWTYNVUWIY-AWEZNQCLSA-N 1 0 379.551 2.694 20 0 GFADRO Cc1ccc(CCC(=O)N2CCC[N@@H+]([C@@H](C)CO)CC2)c(Br)c1 ZINC000364935665 563769704 /nfs/dbraw/zinc/76/97/04/563769704.db2.gz QVCSTOSSXKXTRV-HNNXBMFYSA-N 1 0 383.330 2.605 20 0 GFADRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)Nc1cccc(F)c1I ZINC000415359629 563770653 /nfs/dbraw/zinc/77/06/53/563770653.db2.gz KXKBMXBCBWTBAQ-WCBMZHEXSA-N 1 0 377.201 2.550 20 0 GFADRO CCCN(C(=O)C(=O)Nc1cc(Cl)ccc1Br)[C@@H]1CC[NH2+]C1 ZINC000415388968 563771806 /nfs/dbraw/zinc/77/18/06/563771806.db2.gz FMAAZWIVOPUTGJ-LLVKDONJSA-N 1 0 388.693 2.642 20 0 GFADRO C[NH2+]CC1CCN(C(=O)C(=O)Nc2ccc(Br)cc2C(C)C)CC1 ZINC000415398237 563772451 /nfs/dbraw/zinc/77/24/51/563772451.db2.gz KIPWGPHUGNDNHE-UHFFFAOYSA-N 1 0 396.329 2.969 20 0 GFADRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)Nc1ccc(Sc2nc(C)cs2)cc1 ZINC000415408249 563773082 /nfs/dbraw/zinc/77/30/82/563773082.db2.gz BWBLZUHBALJJRH-LLVKDONJSA-N 1 0 378.523 2.513 20 0 GFADRO COCCOc1ccc(Br)cc1NC(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000415422859 563774129 /nfs/dbraw/zinc/77/41/29/563774129.db2.gz FLMUHQCHMJFTMO-YPMHNXCESA-N 1 0 386.290 2.723 20 0 GFADRO COCCOc1ccc(Br)cc1NC(=O)NCC1=CC[NH2+]CC1 ZINC000415423783 563774421 /nfs/dbraw/zinc/77/44/21/563774421.db2.gz HLKZJLJSFLXISZ-UHFFFAOYSA-N 1 0 384.274 2.516 20 0 GFADRO CCN1CCc2nc([N-]S(=O)(=O)c3c(C)cc(C)cc3OC)sc2C1 ZINC000365115306 563774458 /nfs/dbraw/zinc/77/44/58/563774458.db2.gz GHNHFNSVSGWNMH-UHFFFAOYSA-N 1 0 381.523 2.947 20 0 GFADRO [NH3+]CC[C@@H]1CCCN(C(=O)C2CCN(C(=O)c3ccc(Cl)s3)CC2)C1 ZINC000442606217 563775403 /nfs/dbraw/zinc/77/54/03/563775403.db2.gz OZUIICPXISYHRQ-ZDUSSCGKSA-N 1 0 383.945 2.841 20 0 GFADRO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)Nc1cc(F)c(Br)cc1Cl ZINC000415434898 563775789 /nfs/dbraw/zinc/77/57/89/563775789.db2.gz WUQOCHVGHGUOOF-QMMMGPOBSA-N 1 0 394.672 2.670 20 0 GFADRO CC(C)C[C@@](C)(C[NH3+])NC(=O)Nc1ccc(S(C)(=O)=O)c(C(F)F)c1 ZINC000415438004 563775823 /nfs/dbraw/zinc/77/58/23/563775823.db2.gz PSUNYRLPKQMRSV-INIZCTEOSA-N 1 0 377.457 2.913 20 0 GFADRO COC(=O)c1cc(Br)c(F)cc1NC(=O)N[C@H](C[NH3+])CC(C)C ZINC000415471965 563777660 /nfs/dbraw/zinc/77/76/60/563777660.db2.gz SXINWJFIQWJPAI-VIFPVBQESA-N 1 0 390.253 2.870 20 0 GFADRO CCOCCOc1ccc(Br)cc1NC(=O)N1CCC[NH2+]CC1 ZINC000415469342 563777734 /nfs/dbraw/zinc/77/77/34/563777734.db2.gz WQMHKIHQHAEWRP-UHFFFAOYSA-N 1 0 386.290 2.692 20 0 GFADRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)Nc1cc(Br)cnc1-n1cccn1 ZINC000415484765 563779106 /nfs/dbraw/zinc/77/91/06/563779106.db2.gz ODKUOMVBGSTXLC-ZDUSSCGKSA-N 1 0 395.305 2.867 20 0 GFADRO Cc1nc(NC(=O)NCCC[NH2+]Cc2cccnc2)ccc1Br ZINC000415500096 563779619 /nfs/dbraw/zinc/77/96/19/563779619.db2.gz SFJXYEMWVIRTGO-UHFFFAOYSA-N 1 0 378.274 2.849 20 0 GFADRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)Nc1ccc(Br)cc1Cl ZINC000415504711 563780151 /nfs/dbraw/zinc/78/01/51/563780151.db2.gz PILGPCREFAPFRC-LBPRGKRZSA-N 1 0 390.709 2.873 20 0 GFADRO Cc1ccc(I)cc1NC(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000415507798 563780275 /nfs/dbraw/zinc/78/02/75/563780275.db2.gz OHGVNVMJTNWRBQ-RYUDHWBXSA-N 1 0 385.249 2.673 20 0 GFADRO O=C(NC[C@@H]1CCC[NH2+]C1)Nc1nnc(-c2cccc(Br)c2)s1 ZINC000415508969 563781011 /nfs/dbraw/zinc/78/10/11/563781011.db2.gz ZAGYKCBOSQOLPD-SNVBAGLBSA-N 1 0 396.314 3.089 20 0 GFADRO COC(=O)c1cc(NC(=O)C23CCC[NH+]2CCC3)cc(Br)c1F ZINC000415520439 563781216 /nfs/dbraw/zinc/78/12/16/563781216.db2.gz HWDGONIYBANMMK-UHFFFAOYSA-N 1 0 385.233 2.942 20 0 GFADRO C[C@@H]1CN(C(=O)Nc2ccnn2Cc2ccccc2Br)CC[C@@H]1[NH3+] ZINC000415520649 563781276 /nfs/dbraw/zinc/78/12/76/563781276.db2.gz IWAOMYPOXLVVTC-DOMZBBRYSA-N 1 0 392.301 2.895 20 0 GFADRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)Nc1ccnn1Cc1ccccc1Br ZINC000415519384 563781338 /nfs/dbraw/zinc/78/13/38/563781338.db2.gz FZSZDOBIXKGXIP-OLZOCXBDSA-N 1 0 392.301 2.895 20 0 GFADRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)Nc1ccc(Br)c2ccccc12 ZINC000415523145 563781384 /nfs/dbraw/zinc/78/13/84/563781384.db2.gz NCLZSHVSBHTYFU-RYUDHWBXSA-N 1 0 390.281 2.737 20 0 GFADRO C[C@]1(C[NH3+])CCN(C(=O)Nc2ccnn2Cc2cccc(Br)c2)C1 ZINC000415521695 563781534 /nfs/dbraw/zinc/78/15/34/563781534.db2.gz LGBWJWPOBJFIIE-QGZVFWFLSA-N 1 0 392.301 2.897 20 0 GFADRO CC(C)c1n[nH]c(C(=O)N2CCC[N@@H+](C3CCOCC3)CC2)c1Br ZINC000365384525 563781774 /nfs/dbraw/zinc/78/17/74/563781774.db2.gz AKNSXGATFJMGAF-UHFFFAOYSA-N 1 0 399.333 2.623 20 0 GFADRO CCS(=O)(=O)CCN1CCC[C@@H]1c1ccccc1I ZINC000365416643 563782059 /nfs/dbraw/zinc/78/20/59/563782059.db2.gz UYMKLSUSXWFXAI-CQSZACIVSA-N 1 0 393.290 2.863 20 0 GFADRO CN(C(=O)Nc1ccnn1Cc1cccc(Br)c1)[C@H](C[NH3+])C1CC1 ZINC000415525658 563781921 /nfs/dbraw/zinc/78/19/21/563781921.db2.gz WKNOJSBHFOUAIR-OAHLLOKOSA-N 1 0 392.301 2.895 20 0 GFADRO CN(C(=O)Nc1ccnn1Cc1ccccc1Br)[C@H](C[NH3+])C1CC1 ZINC000415525786 563782071 /nfs/dbraw/zinc/78/20/71/563782071.db2.gz XGCSESLEYZPXDU-OAHLLOKOSA-N 1 0 392.301 2.895 20 0 GFADRO O=C(NCCC[NH2+]C1CC1)Nc1ccnn1Cc1ccc(Br)cc1 ZINC000415525320 563782146 /nfs/dbraw/zinc/78/21/46/563782146.db2.gz IARXKKCPMZBOEA-UHFFFAOYSA-N 1 0 392.301 2.958 20 0 GFADRO COc1ccc(CC[NH2+][C@@H](C)c2ccccc2SC)cc1S(N)(=O)=O ZINC000442869633 563782306 /nfs/dbraw/zinc/78/23/06/563782306.db2.gz IZZAJHFOUYXYLS-ZDUSSCGKSA-N 1 0 380.535 2.958 20 0 GFADRO C[C@H](C[NH3+])N(C)C(=O)Nc1nc2ccc(I)cc2s1 ZINC000415527626 563782637 /nfs/dbraw/zinc/78/26/37/563782637.db2.gz JYXSZLZFHIANIQ-SSDOTTSWSA-N 1 0 390.250 2.712 20 0 GFADRO Cc1ncc([C@H](C)[NH2+]CCNS(=O)(=O)c2ccc(Cl)cc2F)c(C)n1 ZINC000442891407 563782814 /nfs/dbraw/zinc/78/28/14/563782814.db2.gz RRINCBHNFXKBJR-JTQLQIEISA-N 1 0 386.880 2.515 20 0 GFADRO CCO[C@H]1C[C@@H]([NH2+]CCNS(=O)(=O)c2ccc(Cl)cc2F)C12CCC2 ZINC000442876864 563782920 /nfs/dbraw/zinc/78/29/20/563782920.db2.gz YPAXOQSYEJIISM-CVEARBPZSA-N 1 0 390.908 2.695 20 0 GFADRO COC[C@]1(CNC(=O)Nc2c(F)cc(F)cc2Br)CCC[NH2+]1 ZINC000415548598 563783868 /nfs/dbraw/zinc/78/38/68/563783868.db2.gz FJIMJIKNOOXGFC-CQSZACIVSA-N 1 0 378.217 2.617 20 0 GFADRO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(Br)c3ccccc23)[C@@H](C)C[NH2+]1 ZINC000415572653 563784838 /nfs/dbraw/zinc/78/48/38/563784838.db2.gz UWQRXBSDJARAKA-NEPJUHHUSA-N 1 0 390.281 2.750 20 0 GFADRO CC1(CNC(=O)C(=O)Nc2cccc(Cl)c2Br)CC[NH2+]CC1 ZINC000415575263 563785182 /nfs/dbraw/zinc/78/51/82/563785182.db2.gz TVZSZBUTURROHK-UHFFFAOYSA-N 1 0 388.693 2.547 20 0 GFADRO O=C(Nc1ccc(-c2ccc(Br)s2)nn1)C12CCC[NH+]1CCC2 ZINC000415587924 563785667 /nfs/dbraw/zinc/78/56/67/563785667.db2.gz DEOOZTHENFHTEK-UHFFFAOYSA-N 1 0 393.310 3.535 20 0 GFADRO O=S1(=O)CCCN1[C@@H]1CCCN(Cc2cnc(-c3cccs3)s2)C1 ZINC000365530973 563785807 /nfs/dbraw/zinc/78/58/07/563785807.db2.gz XQXAZGNKYVJJQF-CYBMUJFWSA-N 1 0 383.564 2.872 20 0 GFADRO C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000442959578 563785987 /nfs/dbraw/zinc/78/59/87/563785987.db2.gz ADROJXBRHJPPQO-CYBMUJFWSA-N 1 0 388.339 2.903 20 0 GFADRO COC(=O)c1c(Br)ccc(NC(=O)N[C@H]2C[NH2+]CC[C@@H]2C)c1C ZINC000415593897 563786434 /nfs/dbraw/zinc/78/64/34/563786434.db2.gz FPSYEAIELQZNJV-ZANVPECISA-N 1 0 384.274 2.664 20 0 GFADRO Cc1ccc(Cl)c(NC(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)c1C ZINC000415601753 563786787 /nfs/dbraw/zinc/78/67/87/563786787.db2.gz XAUMPANIJKEIPQ-CYBMUJFWSA-N 1 0 378.826 2.914 20 0 GFADRO COC(=O)c1c(Br)ccc(NC(=O)N2C[C@@H](C)[NH2+]C[C@H]2C)c1C ZINC000415599042 563786910 /nfs/dbraw/zinc/78/69/10/563786910.db2.gz LVAKZQDAFFVSHO-NXEZZACHSA-N 1 0 384.274 2.758 20 0 GFADRO COc1ccc(NC(=O)N[C@@H]2CC[C@H](C[NH3+])C2)c(I)c1 ZINC000415602859 563786963 /nfs/dbraw/zinc/78/69/63/563786963.db2.gz YUPKINJRHDJRKN-VHSXEESVSA-N 1 0 389.237 2.549 20 0 GFADRO COC(=O)c1cc(NC(=O)N[C@H]2CC[C@@H](C[NH3+])C2)cc(Br)c1F ZINC000415608724 563787391 /nfs/dbraw/zinc/78/73/91/563787391.db2.gz LYZTZMUXQIQWTD-BDAKNGLRSA-N 1 0 388.237 2.624 20 0 GFADRO COC(=O)c1cc(NC(=O)N[C@H]2CC[NH2+][C@H](C)C2)cc(Br)c1F ZINC000415604609 563787622 /nfs/dbraw/zinc/78/76/22/563787622.db2.gz GEZDUDRMERIFGZ-BDAKNGLRSA-N 1 0 388.237 2.637 20 0 GFADRO COC(=O)c1cc(NC(=O)N2CC[C@@H]([NH3+])[C@H](C)C2)cc(Br)c1F ZINC000415616621 563788045 /nfs/dbraw/zinc/78/80/45/563788045.db2.gz UHTXIHVJLVNRML-PRHODGIISA-N 1 0 388.237 2.576 20 0 GFADRO CO[C@H]1CCN(C(=O)Nc2cc(F)cc(Br)c2F)[C@H](C[NH3+])C1 ZINC000415613806 563788055 /nfs/dbraw/zinc/78/80/55/563788055.db2.gz AGFGSKWHHLRTHA-UWVGGRQHSA-N 1 0 378.217 2.697 20 0 GFADRO O=C(Nc1cc(C(F)(F)F)ccc1Cl)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000415630843 563788741 /nfs/dbraw/zinc/78/87/41/563788741.db2.gz LODLLEFDNOLMGQ-PHIMTYICSA-N 1 0 375.778 2.650 20 0 GFADRO Cc1cc(Cl)cc(NC(=O)C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)c1Br ZINC000415642666 563790155 /nfs/dbraw/zinc/79/01/55/563790155.db2.gz IDMCFLAAMZPJMY-GHMZBOCLSA-N 1 0 388.693 2.736 20 0 GFADRO C[C@H]([NH3+])CCNC(=O)Nc1cc(Br)cc(C(=O)N2CCCC2)c1 ZINC000415640290 563790196 /nfs/dbraw/zinc/79/01/96/563790196.db2.gz RHRPYZRYNYKRAJ-NSHDSACASA-N 1 0 383.290 2.544 20 0 GFADRO CCCOc1c(Br)cc(C[N@@H+]2CC[C@H]3C(=O)NC[C@H]3C2)cc1OC ZINC000365661339 563790476 /nfs/dbraw/zinc/79/04/76/563790476.db2.gz QNDADCYPWGNVPR-UONOGXRCSA-N 1 0 397.313 2.814 20 0 GFADRO Cc1cc(Cl)cc(NC(=O)C(=O)N[C@H]2CC[NH2+][C@H](C)C2)c1Br ZINC000415665208 563790589 /nfs/dbraw/zinc/79/05/89/563790589.db2.gz UGSAZIIZFFUMQX-KOLCDFICSA-N 1 0 388.693 2.606 20 0 GFADRO Cc1c(Br)cccc1NC(=O)C(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000415669039 563790865 /nfs/dbraw/zinc/79/08/65/563790865.db2.gz AXPFBNLLPDCNOC-CQSZACIVSA-N 1 0 382.302 2.590 20 0 GFADRO OCC1([C@H]([NH2+]Cc2cnc3ccc(Br)cn23)[C@@H]2CCCO2)CCC1 ZINC000365661165 563790952 /nfs/dbraw/zinc/79/09/52/563790952.db2.gz JGNMLIOEDZDCPP-DOTOQJQBSA-N 1 0 394.313 2.897 20 0 GFADRO O=C(Nc1cccc(Br)c1Cl)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000415695325 563791314 /nfs/dbraw/zinc/79/13/14/563791314.db2.gz SBFRTADABNPMGV-NSHDSACASA-N 1 0 387.709 2.614 20 0 GFADRO O=S1(=O)CC[C@H]([NH2+]C2CCN(Cc3ccc(Cl)cc3Cl)CC2)C1 ZINC000365781641 563792923 /nfs/dbraw/zinc/79/29/23/563792923.db2.gz QFDHHLPLWRPAQS-HNNXBMFYSA-N 1 0 377.337 2.735 20 0 GFADRO Cn1cc(Br)c(C(=O)NCc2ccccc2C[NH+]2CCCC2)n1 ZINC000292663643 563793002 /nfs/dbraw/zinc/79/30/02/563793002.db2.gz JJNRQLZOPWPBNN-UHFFFAOYSA-N 1 0 377.286 2.708 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)C(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000415728418 563793116 /nfs/dbraw/zinc/79/31/16/563793116.db2.gz SLAUMHVQSJLDQE-JOCQHMNTSA-N 1 0 382.302 2.577 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)c(Br)c1 ZINC000415720743 563793353 /nfs/dbraw/zinc/79/33/53/563793353.db2.gz FMNZZSSWUKFZKT-HDJSIYSDSA-N 1 0 396.329 2.886 20 0 GFADRO CSc1ccc(NC(=O)c2cnn(CCN3CCOCC3)c2)cc1Cl ZINC000365806115 563793779 /nfs/dbraw/zinc/79/37/79/563793779.db2.gz QTOYXLRTKKIIDV-UHFFFAOYSA-N 1 0 380.901 2.843 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(C(=O)Cc3cc(Cl)c(Br)cc3F)C[C@@H]21 ZINC000415752293 563794356 /nfs/dbraw/zinc/79/43/56/563794356.db2.gz ANQUTMYIGVFBJI-OTYXRUKQSA-N 1 0 375.669 2.947 20 0 GFADRO C[C@@H]1CN(C(=O)Nc2cc(Cl)ccc2I)CC[NH2+]1 ZINC000415756101 563794524 /nfs/dbraw/zinc/79/45/24/563794524.db2.gz KXKFOBAADQEEIZ-MRVPVSSYSA-N 1 0 379.629 2.770 20 0 GFADRO COc1cc(I)ccc1NC(=O)N1C[C@@H](C[NH3+])C[C@@H]1C ZINC000415771848 563795607 /nfs/dbraw/zinc/79/56/07/563795607.db2.gz IHZQDBGQMSHPOO-VHSXEESVSA-N 1 0 389.237 2.501 20 0 GFADRO CC(C)c1cc(Br)ccc1NC(=O)C(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000415766745 563795672 /nfs/dbraw/zinc/79/56/72/563795672.db2.gz SRVCGFQYZMFTSE-STQMWFEESA-N 1 0 394.313 2.579 20 0 GFADRO CCOC(=O)c1csc(CN2CCC(NC(=O)c3ccsc3)CC2)n1 ZINC000292792453 563795862 /nfs/dbraw/zinc/79/58/62/563795862.db2.gz ZZXMXYDUGDXJOJ-UHFFFAOYSA-N 1 0 379.507 2.776 20 0 GFADRO O=C(Nc1cc(C(F)(F)F)ccc1Cl)C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000415776476 563796166 /nfs/dbraw/zinc/79/61/66/563796166.db2.gz HUSFHGJOPXYBQK-BXKDBHETSA-N 1 0 375.778 2.508 20 0 GFADRO O=C(NCCC[C@H]1CCC[NH2+]1)C(=O)Nc1ccc(Br)cc1Cl ZINC000415810376 563797690 /nfs/dbraw/zinc/79/76/90/563797690.db2.gz WUVITKYNEONGAG-LLVKDONJSA-N 1 0 388.693 2.689 20 0 GFADRO Cc1nc2cc(Cl)c(NC(=O)C(=O)NC[C@@H]3CCC[C@H]([NH3+])C3)cc2s1 ZINC000415818802 563798129 /nfs/dbraw/zinc/79/81/29/563798129.db2.gz XBJWPPQSMBBTPX-MNOVXSKESA-N 1 0 380.901 2.830 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)NC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000415820390 563798219 /nfs/dbraw/zinc/79/82/19/563798219.db2.gz ZTVZFEMPWWNRBN-GXTWGEPZSA-N 1 0 382.302 2.638 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H](CNC(=O)C(=O)Nc2ccc(Cl)c(Br)c2)C1 ZINC000415819086 563798361 /nfs/dbraw/zinc/79/83/61/563798361.db2.gz XUBWFDIZEFWMLK-NXEZZACHSA-N 1 0 388.693 2.675 20 0 GFADRO [NH3+]C[C@@H](NC(=O)C(=O)Nc1cc(Cl)ccc1Br)C1CCCC1 ZINC000415843505 563799105 /nfs/dbraw/zinc/79/91/05/563799105.db2.gz QAKXXBRIOAMBLT-CYBMUJFWSA-N 1 0 388.693 2.675 20 0 GFADRO Cc1cc(NC(=O)C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc(C)c1Br ZINC000415863870 563799484 /nfs/dbraw/zinc/79/94/84/563799484.db2.gz BMWXYDRGBXINSH-MGPQQGTHSA-N 1 0 394.313 2.509 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000415846729 563799551 /nfs/dbraw/zinc/79/95/51/563799551.db2.gz TVCFAROIUKKJFI-HNNXBMFYSA-N 1 0 382.302 2.584 20 0 GFADRO CC(C)(O)C[N@@H+]1CCCN(C(=O)NCc2cc(F)c(Cl)cc2F)CC1 ZINC000366110904 563799749 /nfs/dbraw/zinc/79/97/49/563799749.db2.gz WWTDAZDECMQBEI-UHFFFAOYSA-N 1 0 375.847 2.606 20 0 GFADRO Nc1c(Br)cc(Br)cc1C[NH2+]C[C@@H]1[C@H]2COC[C@H]21 ZINC000367681232 563852364 /nfs/dbraw/zinc/85/23/64/563852364.db2.gz BWUVSVPDKIWKJM-RTCCRHLQSA-N 1 0 376.092 2.776 20 0 GFADRO [NH3+]CC[C@H](NC(=O)NCC(=O)Nc1cc(Cl)ccc1Cl)C(F)(F)F ZINC000415989836 563801359 /nfs/dbraw/zinc/80/13/59/563801359.db2.gz BOMKWFRZQKWUTA-JTQLQIEISA-N 1 0 387.189 2.511 20 0 GFADRO O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)c1cc2ccc(Br)cc2[nH]1 ZINC000366202957 563801466 /nfs/dbraw/zinc/80/14/66/563801466.db2.gz PVDZSPUEZZSCFU-HNNXBMFYSA-N 1 0 392.297 2.914 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(F)c(I)c1 ZINC000366220631 563802149 /nfs/dbraw/zinc/80/21/49/563802149.db2.gz FQSXRFUBKVYYOD-VXGBXAGGSA-N 1 0 388.224 2.787 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(Br)cc2)C[C@H]1C ZINC000443377939 563803074 /nfs/dbraw/zinc/80/30/74/563803074.db2.gz ZXOOZOCTOPDZSP-IUODEOHRSA-N 1 0 382.302 2.719 20 0 GFADRO O=C(c1cc2c(c(Br)c1)OCO2)N1CCC[C@@H]2C[NH2+]CCC[C@@H]21 ZINC000366459248 563809279 /nfs/dbraw/zinc/80/92/79/563809279.db2.gz XADWUCXMEOELRY-RISCZKNCSA-N 1 0 381.270 2.782 20 0 GFADRO O=C(NC1CC([NH+]2CCCCC2)C1)c1nc(C2CC2)ncc1Br ZINC000366536415 563812643 /nfs/dbraw/zinc/81/26/43/563812643.db2.gz VOUNEMRJHGFCQL-UHFFFAOYSA-N 1 0 379.302 2.863 20 0 GFADRO O=C(N[C@@H]1CC12CC[NH2+]CC2)c1ccc(I)cc1Cl ZINC000366553233 563813814 /nfs/dbraw/zinc/81/38/14/563813814.db2.gz GNNIHEVOFKLKOR-GFCCVEGCSA-N 1 0 390.652 2.817 20 0 GFADRO C[NH+](C)C1(CNC(=O)C2(c3ccc(I)cc3)CC2)CC1 ZINC000416307397 563815595 /nfs/dbraw/zinc/81/55/95/563815595.db2.gz KRCLVFFLAJNWIE-UHFFFAOYSA-N 1 0 384.261 2.533 20 0 GFADRO COCCNS(=O)(=O)c1ccc(C[NH2+]Cc2ccc(C)c(Cl)c2)cc1 ZINC000443972154 563816841 /nfs/dbraw/zinc/81/68/41/563816841.db2.gz WVMHEUXAWQEATJ-UHFFFAOYSA-N 1 0 382.913 2.863 20 0 GFADRO COc1c(Br)cccc1CNc1ccn(C2CC[NH+](C)CC2)n1 ZINC000366743358 563818405 /nfs/dbraw/zinc/81/84/05/563818405.db2.gz FOTCGUOYJJAMEP-UHFFFAOYSA-N 1 0 379.302 3.533 20 0 GFADRO COc1ccc(CC[NH2+][C@@H]2CCCC[C@H]2S(C)(=O)=O)c(Cl)c1OC ZINC000293566245 563818689 /nfs/dbraw/zinc/81/86/89/563818689.db2.gz AXWHZXAZYLYRQO-UKRRQHHQSA-N 1 0 375.918 2.845 20 0 GFADRO CSCC[C@@H](NC(=O)c1ccccc1Cl)C(=O)N[C@H](C)CCCC[NH3+] ZINC000293597174 563820303 /nfs/dbraw/zinc/82/03/03/563820303.db2.gz ZMTHPUUSDXEQRY-CZUORRHYSA-N 1 0 385.961 2.825 20 0 GFADRO O=C(N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1)C1(c2cncc(Br)c2)CC1 ZINC000366841135 563821484 /nfs/dbraw/zinc/82/14/84/563821484.db2.gz HCGQVSRPNOEYIC-XKQJLSEDSA-N 1 0 390.325 2.818 20 0 GFADRO CS(=O)(=O)N1CC[C@@H](C[NH+]2CCC(c3nc4ccccc4s3)CC2)C1 ZINC000366914839 563824288 /nfs/dbraw/zinc/82/42/88/563824288.db2.gz YCQRPAORSIEXMD-AWEZNQCLSA-N 1 0 379.551 2.757 20 0 GFADRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)c3cc4c(cccc4Br)[nH]3)[C@H]2C1 ZINC000293856100 563826240 /nfs/dbraw/zinc/82/62/40/563826240.db2.gz JCMPBQZMLFTQNG-DLBZAZTESA-N 1 0 392.297 2.866 20 0 GFADRO Nc1nccc([C@@H]2CCC[N@H+](C[C@H](O)c3cccc(Br)c3)C2)n1 ZINC000366984014 563826743 /nfs/dbraw/zinc/82/67/43/563826743.db2.gz UDJZYSSNMFYBLH-CJNGLKHVSA-N 1 0 377.286 2.734 20 0 GFADRO Cc1cc(Br)ccc1C[N@H+](C)CCCN1C(=O)NC(C)(C)C1=O ZINC000444701214 563835417 /nfs/dbraw/zinc/83/54/17/563835417.db2.gz GFOSOIFQJRMSJT-UHFFFAOYSA-N 1 0 382.302 2.910 20 0 GFADRO C[C@H]1C[NH+](CCCNC(=O)Cc2sccc2Br)C[C@H](C)O1 ZINC000294257920 563836124 /nfs/dbraw/zinc/83/61/24/563836124.db2.gz CPJREDFFPVUALN-RYUDHWBXSA-N 1 0 375.332 2.669 20 0 GFADRO CCN(CC(=O)NC(C)C)C(=O)C[NH2+][C@@H](C)c1ccc(Br)s1 ZINC000444759477 563836601 /nfs/dbraw/zinc/83/66/01/563836601.db2.gz IIBAEMOWEGJHQC-NSHDSACASA-N 1 0 390.347 2.534 20 0 GFADRO C[C@@H](CC[NH+](C)C)NC(=O)NCc1cnn(-c2ccc(Br)cc2)c1 ZINC000444985212 563840949 /nfs/dbraw/zinc/84/09/49/563840949.db2.gz GAOXPMUXZMEJGO-ZDUSSCGKSA-N 1 0 394.317 2.774 20 0 GFADRO C[NH+]1CCN(CCNC(=O)c2cc3ccc(Br)cc3s2)CC1 ZINC000294592875 563847616 /nfs/dbraw/zinc/84/76/16/563847616.db2.gz YRRUTGGDIBKJDS-UHFFFAOYSA-N 1 0 382.327 2.641 20 0 GFADRO O=C1C[C@H](C[NH2+]Cc2ncc(I)s2)c2ccccc2N1 ZINC000367601403 563849900 /nfs/dbraw/zinc/84/99/00/563849900.db2.gz OASLWRPTOGKFBG-SECBINFHSA-N 1 0 399.257 2.963 20 0 GFADRO CC[C@@H](Cc1cccc(Br)c1)C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000367595965 563850166 /nfs/dbraw/zinc/85/01/66/563850166.db2.gz OLQQAEVRNXXWAR-FUHWJXTLSA-N 1 0 394.357 2.524 20 0 GFADRO C[NH+](C)C1(CNC(=O)N[C@H]2CCN(c3ccccc3Br)C2)CCC1 ZINC000445851539 563854837 /nfs/dbraw/zinc/85/48/37/563854837.db2.gz GLSPVMJQTOTTAV-AWEZNQCLSA-N 1 0 395.345 2.811 20 0 GFADRO CC(C)[C@@H](CC(F)(F)F)[NH2+]CC(=O)Nc1ccccc1SCC(N)=O ZINC000445900257 563855835 /nfs/dbraw/zinc/85/58/35/563855835.db2.gz ZHHVTUGZFISVJH-GFCCVEGCSA-N 1 0 377.432 2.769 20 0 GFADRO CSc1nnc(CNC(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)s1 ZINC000446096741 563858452 /nfs/dbraw/zinc/85/84/52/563858452.db2.gz UMVBIRAMMBHVGG-AWEZNQCLSA-N 1 0 377.539 2.896 20 0 GFADRO O[C@@H](COCC(F)(F)F)C[N@@H+]1CCC[C@@H](c2nc(C(F)(F)F)c[nH]2)C1 ZINC000367926358 563859461 /nfs/dbraw/zinc/85/94/61/563859461.db2.gz FQDBKUDZKOIUIP-NXEZZACHSA-N 1 0 375.313 2.548 20 0 GFADRO Cc1cccc(NC(=O)C(=O)N(C)CC2([NH+](C)C)CCC2)c1Br ZINC000446189270 563860394 /nfs/dbraw/zinc/86/03/94/563860394.db2.gz QBZXKEWJSXFPPS-UHFFFAOYSA-N 1 0 382.302 2.639 20 0 GFADRO C[NH+](C)C1(CNC(=O)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)CCC1 ZINC000446176815 563860420 /nfs/dbraw/zinc/86/04/20/563860420.db2.gz ZIJILIRWXLPSAN-UHFFFAOYSA-N 1 0 377.794 2.898 20 0 GFADRO Cc1nc(C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)nn1-c1c(Cl)cccc1Cl ZINC000368011800 563861559 /nfs/dbraw/zinc/86/15/59/563861559.db2.gz JQNKENNXVBGSKW-VXGBXAGGSA-N 1 0 380.279 2.564 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000416830204 563861870 /nfs/dbraw/zinc/86/18/70/563861870.db2.gz ODYGSWNBIQLZQU-OCCSQVGLSA-N 1 0 397.317 2.513 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)N(C)CC[C@H]([NH3+])C(C)C ZINC000416823425 563861894 /nfs/dbraw/zinc/86/18/94/563861894.db2.gz HHJCPCJQEGITSR-AWEZNQCLSA-N 1 0 399.333 2.711 20 0 GFADRO Cc1cc([C@@H](C)[NH2+][C@H]2CCN(CCN3CCOCC3)C2)ccc1Br ZINC000368017588 563862108 /nfs/dbraw/zinc/86/21/08/563862108.db2.gz FPTMVLMUJHGFPA-AEFFLSMTSA-N 1 0 396.373 2.815 20 0 GFADRO C[C@@H](NC(=O)NCCCN1CC[NH2+]CC1)c1cc(F)c(Cl)cc1Cl ZINC000416859444 563862519 /nfs/dbraw/zinc/86/25/19/563862519.db2.gz ZZDZAONTJCXORM-LLVKDONJSA-N 1 0 377.291 2.788 20 0 GFADRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1cc[nH]c(=O)c1Br ZINC000446395613 563863322 /nfs/dbraw/zinc/86/33/22/563863322.db2.gz FMAKCJNMFLTTPP-WFASDCNBSA-N 1 0 390.281 2.800 20 0 GFADRO O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)c1cc(C(F)(F)F)cc(Cl)n1 ZINC000368152111 563865292 /nfs/dbraw/zinc/86/52/92/563865292.db2.gz MBUIYXLBBIUMGA-GFCCVEGCSA-N 1 0 377.794 2.737 20 0 GFADRO COC(=O)[C@H]1CN(C(=O)Nc2cc(Br)c(C)cc2C)CC[N@H+](C)C1 ZINC000417022829 563865915 /nfs/dbraw/zinc/86/59/15/563865915.db2.gz JGEZNXHOPHLPAR-CYBMUJFWSA-N 1 0 398.301 2.634 20 0 GFADRO Cc1cc(C)c(NC(=O)N2C[C@H](C)[N@@H+](CCO)C[C@@H]2C)cc1Br ZINC000417015300 563866016 /nfs/dbraw/zinc/86/60/16/563866016.db2.gz BKFBVERHNLXAIQ-KBPBESRZSA-N 1 0 384.318 2.985 20 0 GFADRO CO[C@@H]1CCN(C(=O)NCC(C)(C)c2ccc(Br)cc2)[C@H](C[NH3+])C1 ZINC000417113268 563868224 /nfs/dbraw/zinc/86/82/24/563868224.db2.gz FPRFYCJTEHRAJB-JKSUJKDBSA-N 1 0 398.345 2.874 20 0 GFADRO CC[C@@H]1C[N@H+](CC(=O)N2CCc3sccc3[C@H]2c2cccs2)C[C@@H]1O ZINC000368426525 563870369 /nfs/dbraw/zinc/87/03/69/563870369.db2.gz WKPCXLGXKAPVCZ-WTANOLMUSA-N 1 0 376.547 2.986 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2S(=O)(=O)c1cc(Cl)sc1Cl ZINC000446937183 563870625 /nfs/dbraw/zinc/87/06/25/563870625.db2.gz QRPSAHKVHHKOAI-OUAUKWLOSA-N 1 0 399.365 2.927 20 0 GFADRO O=C(c1cc(Br)c2c(c1)OCCO2)N1CCC[C@H]2C[NH2+]CCC[C@@H]21 ZINC000368444121 563871286 /nfs/dbraw/zinc/87/12/86/563871286.db2.gz BFQPBUJALAVDEA-WFASDCNBSA-N 1 0 395.297 2.825 20 0 GFADRO O=C(NCCc1ccc(F)c(Br)c1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000417183637 563871434 /nfs/dbraw/zinc/87/14/34/563871434.db2.gz QCQPBBFXKGCRKT-OKILXGFUSA-N 1 0 384.293 2.772 20 0 GFADRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)NCCOc3cccc(Br)c3)C[C@@H]21 ZINC000417204677 563873139 /nfs/dbraw/zinc/87/31/39/563873139.db2.gz GALPDRXCBSVYTH-VBNZEHGJSA-N 1 0 382.302 2.597 20 0 GFADRO CS(=O)(=O)c1ccc(CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1C(F)(F)F ZINC000447062705 563873646 /nfs/dbraw/zinc/87/36/46/563873646.db2.gz CUZDLIXNYQKCAI-KBPBESRZSA-N 1 0 376.444 2.825 20 0 GFADRO C[C@@H](CCc1ccc(Br)cc1)NC(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000417234134 563874891 /nfs/dbraw/zinc/87/48/91/563874891.db2.gz PGZNMJXZSVRLMW-BBRMVZONSA-N 1 0 384.318 2.529 20 0 GFADRO COc1cc(Br)ccc1C[NH2+][C@@H]1CCCc2c1cnn2CCO ZINC000368624572 563875959 /nfs/dbraw/zinc/87/59/59/563875959.db2.gz WAUHFTAAGQCNLF-OAHLLOKOSA-N 1 0 380.286 2.814 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)NCCc2c(Cl)cccc2Cl)CC12CCOCC2 ZINC000417279468 563876137 /nfs/dbraw/zinc/87/61/37/563876137.db2.gz ZXEVEAINHLAMEU-CYBMUJFWSA-N 1 0 386.323 2.933 20 0 GFADRO Cc1ccc(-n2nc(Br)cc2C(=O)N[C@@H]2CCC[NH2+]CC2)cc1 ZINC000368718571 563877506 /nfs/dbraw/zinc/87/75/06/563877506.db2.gz ITBLIMNSGFIEPA-CYBMUJFWSA-N 1 0 377.286 2.815 20 0 GFADRO Cc1cc(Br)c(S(=O)(=O)N(CC[NH3+])Cc2ccccc2)s1 ZINC000447242871 563877892 /nfs/dbraw/zinc/87/78/92/563877892.db2.gz FEGDKCBJDRLRAJ-UHFFFAOYSA-N 1 0 389.340 2.969 20 0 GFADRO CO[C@H]1CCN(C(=O)NCc2ccc(Br)cc2Cl)[C@H](C[NH3+])C1 ZINC000417338471 563878301 /nfs/dbraw/zinc/87/83/01/563878301.db2.gz KHGAZBRQCGCXRU-STQMWFEESA-N 1 0 390.709 2.750 20 0 GFADRO O=C(NCCC[NH2+]Cc1cccnc1)NCCc1ccccc1Br ZINC000417354097 563878699 /nfs/dbraw/zinc/87/86/99/563878699.db2.gz KVPCNXNBEQHTKW-UHFFFAOYSA-N 1 0 391.313 2.866 20 0 GFADRO O=C(NCc1cc(Br)ccc1OC(F)F)NC[C@H]1CCC[NH2+]C1 ZINC000417406635 563879231 /nfs/dbraw/zinc/87/92/31/563879231.db2.gz LIMVDDQOSBIQKC-JTQLQIEISA-N 1 0 392.244 2.849 20 0 GFADRO O=C(NCc1cc(Br)ccc1OC(F)F)NC[C@H]1CCC[NH2+]1 ZINC000417406048 563879279 /nfs/dbraw/zinc/87/92/79/563879279.db2.gz JZTHMKVHDQMAHY-LLVKDONJSA-N 1 0 378.217 2.602 20 0 GFADRO CN(C(=O)c1cc(Br)cn1C)C1CC[NH+](C2CCOCC2)CC1 ZINC000368823276 563879298 /nfs/dbraw/zinc/87/92/98/563879298.db2.gz KIAIQLOLKHTNKZ-UHFFFAOYSA-N 1 0 384.318 2.503 20 0 GFADRO C[NH2+][C@@H]1CCN(C(=O)NCc2cc(Br)ccc2OC(F)F)C1 ZINC000417410000 563879781 /nfs/dbraw/zinc/87/97/81/563879781.db2.gz QXBFISDFUXKLIH-LLVKDONJSA-N 1 0 378.217 2.554 20 0 GFADRO C[C@@H](CCC[NH3+])NC(=O)NCC1(c2ccc(Br)cc2)CCOCC1 ZINC000417434014 563880096 /nfs/dbraw/zinc/88/00/96/563880096.db2.gz WJBVGQNGTGFVSK-AWEZNQCLSA-N 1 0 398.345 2.924 20 0 GFADRO COc1ccc(CNC(=O)N2CCC3(C2)CC[NH2+]CC3)cc1Br ZINC000417432496 563880194 /nfs/dbraw/zinc/88/01/94/563880194.db2.gz TYOKSOWHEOZKMR-UHFFFAOYSA-N 1 0 382.302 2.743 20 0 GFADRO COc1cc(Br)c(CNC(=O)N[C@H](C[NH3+])CC(C)C)cc1OC ZINC000417447837 563880634 /nfs/dbraw/zinc/88/06/34/563880634.db2.gz RUPKZNHLZKGKFV-LBPRGKRZSA-N 1 0 388.306 2.639 20 0 GFADRO COc1cc(Br)cc(C)c1NC(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000368886094 563881164 /nfs/dbraw/zinc/88/11/64/563881164.db2.gz UYEDFSCTZZHYBD-KGLIPLIRSA-N 1 0 398.301 2.751 20 0 GFADRO COCC[N@H+](C)CCCNC(=O)Nc1cc(Br)c(F)cc1OC ZINC000417560319 563882828 /nfs/dbraw/zinc/88/28/28/563882828.db2.gz ZQORGWTYZVRUPN-UHFFFAOYSA-N 1 0 392.269 2.687 20 0 GFADRO C[NH2+][C@H]1CCN(C(=O)NC2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)C1 ZINC000417568257 563884024 /nfs/dbraw/zinc/88/40/24/563884024.db2.gz KEGJZQLGIAMPQF-HNNXBMFYSA-N 1 0 385.339 2.961 20 0 GFADRO NS(=O)(=O)CCC[NH+]1CCC(C(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000369013254 563884228 /nfs/dbraw/zinc/88/42/28/563884228.db2.gz YXOXVPJIZTZCIB-UHFFFAOYSA-N 1 0 379.309 2.567 20 0 GFADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)NC1(c2ccc(Br)cc2)CC1 ZINC000369051152 563885284 /nfs/dbraw/zinc/88/52/84/563885284.db2.gz RCOQQEJLJJGZRH-HOTGVXAUSA-N 1 0 394.313 2.601 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H](CNC(=O)N[C@@H]2CCN(c3ccccc3Br)C2)C1 ZINC000417593163 563885570 /nfs/dbraw/zinc/88/55/70/563885570.db2.gz FUYNGBDXNITGFM-RBSFLKMASA-N 1 0 395.345 2.845 20 0 GFADRO [NH3+]C[C@H](NC(=O)N[C@H]1CCN(c2ccccc2Br)C1)C1CCCC1 ZINC000417602473 563886162 /nfs/dbraw/zinc/88/61/62/563886162.db2.gz OGZGTLSKQQMLFU-HOCLYGCPSA-N 1 0 395.345 2.845 20 0 GFADRO Cc1cc(NC(=O)NC[C@@H](c2cccs2)[NH+](C)C)nn1CC(F)(F)F ZINC000417606589 563886312 /nfs/dbraw/zinc/88/63/12/563886312.db2.gz FOVRFCUDVPNRAM-NSHDSACASA-N 1 0 375.420 3.240 20 0 GFADRO O=C(NCC1(c2cccc(Br)c2)CC1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000417665567 563886682 /nfs/dbraw/zinc/88/66/82/563886682.db2.gz ZFLJDUXVXKSNOJ-CJNGLKHVSA-N 1 0 378.314 2.874 20 0 GFADRO CC(C)[NH+]1CCC(NC(=O)CN(CCC(F)(F)F)CC(F)(F)F)CC1 ZINC000447824472 563887122 /nfs/dbraw/zinc/88/71/22/563887122.db2.gz ALFXYUJMBCUNMR-UHFFFAOYSA-N 1 0 377.373 2.792 20 0 GFADRO Cc1nc2ccc(Br)cn2c1C(=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000369130901 563887320 /nfs/dbraw/zinc/88/73/20/563887320.db2.gz RJUQVLYGVHWTFL-UHFFFAOYSA-N 1 0 377.286 2.716 20 0 GFADRO Cc1cc(C[N@@H+]2CCC[C@H](C(=O)Nc3ccc(Br)cn3)C2)n(C)n1 ZINC000417725059 563887551 /nfs/dbraw/zinc/88/75/51/563887551.db2.gz INKNFCSNPAYNHE-ZDUSSCGKSA-N 1 0 392.301 2.737 20 0 GFADRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)NCCOc1ncc(C(F)(F)F)cc1Cl ZINC000417736937 563887902 /nfs/dbraw/zinc/88/79/02/563887902.db2.gz NCTMGKQJFSONNJ-UWVGGRQHSA-N 1 0 380.798 2.511 20 0 GFADRO [NH3+]CCCOC1CCN(C(=O)N[C@@H]2COc3c2ccc(Cl)c3Cl)CC1 ZINC000417767704 563888549 /nfs/dbraw/zinc/88/85/49/563888549.db2.gz DEQFCCODQRMRIY-CQSZACIVSA-N 1 0 388.295 2.966 20 0 GFADRO C[C@H](CNC(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1)Oc1ccc(Br)cc1 ZINC000417767234 563888556 /nfs/dbraw/zinc/88/85/56/563888556.db2.gz BGSOBDUGRKMYKM-HZSPNIEDSA-N 1 0 384.318 2.985 20 0 GFADRO C[C@@H](CNC(=O)NC[C@@]1(C)CCC[NH2+]C1)Oc1cccc(Br)c1 ZINC000417790807 563889268 /nfs/dbraw/zinc/88/92/68/563889268.db2.gz IUJBMXYUYMYIDF-GUYCJALGSA-N 1 0 384.318 2.905 20 0 GFADRO Cc1cc(N2CCC[C@@H]([N@@H+]3C[C@@H](O)C(C)(C)C3)C2=O)ccc1Br ZINC000447874121 563889436 /nfs/dbraw/zinc/88/94/36/563889436.db2.gz VLGQFUXQKPZFNG-HZPDHXFCSA-N 1 0 381.314 2.956 20 0 GFADRO O=C1CCc2cc(Cl)c(S(=O)(=O)N3CCC(n4ccnc4)CC3)cc21 ZINC000369223237 563890204 /nfs/dbraw/zinc/89/02/04/563890204.db2.gz DXLXTJOBUHKAMM-UHFFFAOYSA-N 1 0 379.869 2.691 20 0 GFADRO COC(=O)c1ccc(Cl)cc1S(=O)(=O)NC[C@H]1[N@H+](C)CCCC1(C)C ZINC000447924674 563890751 /nfs/dbraw/zinc/89/07/51/563890751.db2.gz GZSCBSAFYRZQCG-OAHLLOKOSA-N 1 0 388.917 2.525 20 0 GFADRO C[C@@H](Cc1cc(Br)ccc1F)NC(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000417938876 563892457 /nfs/dbraw/zinc/89/24/57/563892457.db2.gz JEKNRCQOCXWQCN-TVQRCGJNSA-N 1 0 394.235 2.816 20 0 GFADRO CCCOc1c(Br)cc(C[NH2+][C@@H](CO)[C@@H]2CCCO2)cc1OC ZINC000447989263 563892493 /nfs/dbraw/zinc/89/24/93/563892493.db2.gz OXVYKGFOVDPVBW-GJZGRUSLSA-N 1 0 388.302 2.876 20 0 GFADRO CO[C@H]1CCN(C(=O)NCCOCc2ccc(Cl)cc2Cl)[C@@H](C[NH3+])C1 ZINC000417975718 563893342 /nfs/dbraw/zinc/89/33/42/563893342.db2.gz ANKBYMWKGINMKQ-CABCVRRESA-N 1 0 390.311 2.658 20 0 GFADRO O=C(N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000418003804 563894527 /nfs/dbraw/zinc/89/45/27/563894527.db2.gz MZTIQZOEIFLLDX-UGSOOPFHSA-N 1 0 383.323 2.967 20 0 GFADRO [NH3+]CC[C@@H](NC(=O)N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1)C(F)F ZINC000418001939 563894569 /nfs/dbraw/zinc/89/45/69/563894569.db2.gz LQKGWOPVLYVRAN-TVQRCGJNSA-N 1 0 381.254 2.854 20 0 GFADRO O=C(NCCc1c[nH]c2ccc(Br)cc12)NCC1=CC[NH2+]CC1 ZINC000418002806 563894580 /nfs/dbraw/zinc/89/45/80/563894580.db2.gz MNXHQRZRBQVNFH-UHFFFAOYSA-N 1 0 377.286 2.692 20 0 GFADRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)NCCc1c[nH]c2ccc(Br)cc12 ZINC000418004217 563894640 /nfs/dbraw/zinc/89/46/40/563894640.db2.gz NVRISTNEFGSFHF-MEDUHNTESA-N 1 0 379.302 2.770 20 0 GFADRO CCCOC[C@@H](Cc1cccc(Br)c1)NC(=O)NC[C@H]([NH3+])CC ZINC000418029276 563896082 /nfs/dbraw/zinc/89/60/82/563896082.db2.gz LGSCVFVHXHUIPO-HZPDHXFCSA-N 1 0 386.334 2.823 20 0 GFADRO O=C(N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1)N[C@@H]1C[NH2+]CCC1(F)F ZINC000418055411 563896778 /nfs/dbraw/zinc/89/67/78/563896778.db2.gz BGFJXRHGEBFLDZ-SMDDNHRTSA-N 1 0 393.265 2.869 20 0 GFADRO C[C@@H](CCC[NH3+])NC(=O)N[C@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O ZINC000418078035 563897890 /nfs/dbraw/zinc/89/78/90/563897890.db2.gz JDKFIBCVYNUGJH-FZMZJTMJSA-N 1 0 387.311 2.915 20 0 GFADRO [NH3+]C[C@@H]1CC[C@H](NC(=O)NCc2cnn(-c3ccc(Br)cc3)c2)C1 ZINC000418087187 563898031 /nfs/dbraw/zinc/89/80/31/563898031.db2.gz GDTHASNAUDBEKK-DOMZBBRYSA-N 1 0 392.301 2.561 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H](CNC(=O)N[C@@H]2CCN(c3cccc(Br)c3)C2)C1 ZINC000418094350 563898487 /nfs/dbraw/zinc/89/84/87/563898487.db2.gz HWJDOOWQUQZSQX-FVQBIDKESA-N 1 0 395.345 2.845 20 0 GFADRO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1Cc1ccnc2c(Br)cccc12 ZINC000418109509 563898918 /nfs/dbraw/zinc/89/89/18/563898918.db2.gz IKYYNLKFGTYDGB-ZIAGYGMSSA-N 1 0 378.314 2.884 20 0 GFADRO [NH3+]C[C@H](NC(=O)NCCCCn1cc(Br)cn1)C1CCCCC1 ZINC000418098765 563898982 /nfs/dbraw/zinc/89/89/82/563898982.db2.gz BBZVSNWUTPWFSG-HNNXBMFYSA-N 1 0 386.338 2.633 20 0 GFADRO O=C(N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000418106294 563898991 /nfs/dbraw/zinc/89/89/91/563898991.db2.gz CASLDONDQVVLON-YXAMBPQSSA-N 1 0 382.277 2.838 20 0 GFADRO Fc1ccc(C[NH2+][C@@H]2CCN(CC(F)F)C2)c(I)c1 ZINC000418134715 563899878 /nfs/dbraw/zinc/89/98/78/563899878.db2.gz NYCCGUGQYICBES-LLVKDONJSA-N 1 0 384.183 2.859 20 0 GFADRO C[NH2+]C[C@H]1CCCN(C(=O)N[C@@H]2CCOc3c(Br)cccc32)C1 ZINC000418166239 563900283 /nfs/dbraw/zinc/90/02/83/563900283.db2.gz UIMCKUBGZQLOHV-IUODEOHRSA-N 1 0 382.302 2.914 20 0 GFADRO COCC[C@H](NC(=O)N1CCCO[C@@H](C[NH3+])C1)c1ccc(Cl)c(Cl)c1 ZINC000418175717 563900658 /nfs/dbraw/zinc/90/06/58/563900658.db2.gz VSTHIGJBFFVRHH-BBRMVZONSA-N 1 0 390.311 2.830 20 0 GFADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cc(Br)c(C)cc3C)C2)CC1 ZINC000448924472 563903346 /nfs/dbraw/zinc/90/33/46/563903346.db2.gz IHOPPBPXVOVTEB-MRXNPFEDSA-N 1 0 394.357 2.918 20 0 GFADRO Cc1ccc(Br)cc1CC(=O)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000448976960 563904444 /nfs/dbraw/zinc/90/44/44/563904444.db2.gz WMFBJBHSEHUGFI-UHFFFAOYSA-N 1 0 396.373 2.784 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[N@H+](CCOC)C1CC1 ZINC000449010709 563905282 /nfs/dbraw/zinc/90/52/82/563905282.db2.gz MVJPZQYFMUMELY-LBPRGKRZSA-N 1 0 385.302 2.573 20 0 GFADRO C[N@H+](Cc1cnc(-c2ccccc2F)s1)C1CCN(S(C)(=O)=O)CC1 ZINC000449048560 563905942 /nfs/dbraw/zinc/90/59/42/563905942.db2.gz PSGMFWNCTRLCSB-UHFFFAOYSA-N 1 0 383.514 2.805 20 0 GFADRO C[C@H](COc1ccc(Cl)c(Cl)c1)[NH2+]C1CCN(S(C)(=O)=O)CC1 ZINC000449078158 563906495 /nfs/dbraw/zinc/90/64/95/563906495.db2.gz WWXLFCKGAHNCIY-LLVKDONJSA-N 1 0 381.325 2.774 20 0 GFADRO C[C@@H](COc1ccc(Cl)c(Cl)c1)[NH2+]C1CCN(S(C)(=O)=O)CC1 ZINC000449078159 563906558 /nfs/dbraw/zinc/90/65/58/563906558.db2.gz WWXLFCKGAHNCIY-NSHDSACASA-N 1 0 381.325 2.774 20 0 GFADRO CS(=O)(=O)C1CCC([NH2+]Cc2ccc(I)cc2)CC1 ZINC000449161854 563907534 /nfs/dbraw/zinc/90/75/34/563907534.db2.gz HGJQWQHLCXXOSU-UHFFFAOYSA-N 1 0 393.290 2.737 20 0 GFADRO CC(C)NS(=O)(=O)CC[NH2+]C1CC(c2ccc(Br)cc2F)C1 ZINC000449134256 563907577 /nfs/dbraw/zinc/90/75/77/563907577.db2.gz HUHMNMWEEJZDGD-UHFFFAOYSA-N 1 0 393.322 2.752 20 0 GFADRO CCS(=O)(=O)N1CC(C[NH2+][C@H](C)COc2ccc(Cl)c(Cl)c2)C1 ZINC000449269679 564178457 /nfs/dbraw/zinc/17/84/57/564178457.db2.gz NRDSQIQQASOYSJ-LLVKDONJSA-N 1 0 381.325 2.632 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+][C@@H]1CC[C@@H](OC)C1 ZINC000449277279 564178530 /nfs/dbraw/zinc/17/85/30/564178530.db2.gz VZKMNYKDJYYZFB-NILFDRSVSA-N 1 0 385.302 2.620 20 0 GFADRO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@@H]1CC(=O)N([C@@H]2C[C@@H]2C)C1 ZINC000537982142 564179113 /nfs/dbraw/zinc/17/91/13/564179113.db2.gz MPTSBCNXFQFDOE-UAXWRAGISA-N 1 0 394.313 2.765 20 0 GFADRO CCS(=O)(=O)C[C@@H](C)[NH2+][C@@H](C)CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000537979900 564179236 /nfs/dbraw/zinc/17/92/36/564179236.db2.gz AIZQJWFCELJNTB-NWDGAFQWSA-N 1 0 380.432 2.835 20 0 GFADRO CCN(CCC[NH+](C)C)C(=O)[C@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000470848419 564179294 /nfs/dbraw/zinc/17/92/94/564179294.db2.gz LUTMEUPYOAHNJD-AWEZNQCLSA-N 1 0 396.329 2.602 20 0 GFADRO CC(C)N1C[C@@H]([NH2+][C@@H](C)CC(=O)Nc2ccc(Br)cc2)CC1=O ZINC000537980685 564179390 /nfs/dbraw/zinc/17/93/90/564179390.db2.gz IMVGLCUSRKORAK-WFASDCNBSA-N 1 0 382.302 2.765 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+][C@@H]1CSC1(C)C ZINC000449309334 564179663 /nfs/dbraw/zinc/17/96/63/564179663.db2.gz DFIUNCWVBZLSIB-IINYFYTJSA-N 1 0 387.343 2.946 20 0 GFADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[N@@H+]1CCC[C@@H](CO)CC1 ZINC000449345204 564181680 /nfs/dbraw/zinc/18/16/80/564181680.db2.gz UPTXZDAETXXWLP-ZIAGYGMSSA-N 1 0 399.329 2.557 20 0 GFADRO CC[N@@H+](Cc1cc(Br)ccc1O[C@H](C)C(=O)NC)C[C@@H](C)OC ZINC000449336933 564182472 /nfs/dbraw/zinc/18/24/72/564182472.db2.gz PSRSAOULVWBOSQ-CHWSQXEVSA-N 1 0 387.318 2.819 20 0 GFADRO CS(=O)(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3cccc(Br)c3)o2)C1 ZINC000563255018 564182628 /nfs/dbraw/zinc/18/26/28/564182628.db2.gz BTNMBHNCULIMCH-AWEZNQCLSA-N 1 0 399.310 2.833 20 0 GFADRO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]C[C@H]1CCCCN1CCO ZINC000449388545 564182811 /nfs/dbraw/zinc/18/28/11/564182811.db2.gz AJLKWSJKPRKEOU-RHSMWYFYSA-N 1 0 398.345 2.603 20 0 GFADRO OCCCN1CCC[C@H]1C[NH2+]Cc1ccnc2c(Br)cccc12 ZINC000449385116 564182919 /nfs/dbraw/zinc/18/29/19/564182919.db2.gz DTLBQIZDDWLAOV-HNNXBMFYSA-N 1 0 378.314 2.934 20 0 GFADRO COC[C@](C)(O)CC[NH2+]Cc1cc(Br)c(OC(F)F)c(OC)c1 ZINC000449383560 564182936 /nfs/dbraw/zinc/18/29/36/564182936.db2.gz IHFHYSYWPISJSC-OAHLLOKOSA-N 1 0 398.244 2.936 20 0 GFADRO COc1ccc(C[NH2+]CCn2cc(Br)ccc2=O)c(C)c1OC ZINC000449379812 564183060 /nfs/dbraw/zinc/18/30/60/564183060.db2.gz UUFBLDFMZDLXQR-UHFFFAOYSA-N 1 0 381.270 2.726 20 0 GFADRO COC[C@](C)(O)CC[NH2+]Cc1cc(Br)cc(Br)c1N ZINC000449383517 564183176 /nfs/dbraw/zinc/18/31/76/564183176.db2.gz HVDMQBWBOPTWMG-CYBMUJFWSA-N 1 0 396.123 2.671 20 0 GFADRO O=S1(=O)CC[C@](O)(C[NH2+]Cc2ccc(-c3cccc(Cl)c3Cl)o2)C1 ZINC000449406905 564184001 /nfs/dbraw/zinc/18/40/01/564184001.db2.gz DLKUARXFKHTVAH-INIZCTEOSA-N 1 0 390.288 2.893 20 0 GFADRO OCCN1CCCC[C@H]1C[NH2+]Cc1cc(Br)c2c(c1)OCCCO2 ZINC000449390386 564184086 /nfs/dbraw/zinc/18/40/86/564184086.db2.gz GQEYIYFCHICCMK-HNNXBMFYSA-N 1 0 399.329 2.547 20 0 GFADRO OCCC[N@@H+]1CCC[C@H]1CNCc1cn(-c2ccc(Cl)c(Cl)c2)nn1 ZINC000449388758 564184135 /nfs/dbraw/zinc/18/41/35/564184135.db2.gz QDPLFJGDIGLSRW-HNNXBMFYSA-N 1 0 384.311 2.511 20 0 GFADRO OCCCN1CCC[C@H]([NH2+]Cc2ccc(OC(F)F)c(Br)c2)C1 ZINC000449395132 564184343 /nfs/dbraw/zinc/18/43/43/564184343.db2.gz HVXWQBZFABUWCU-ZDUSSCGKSA-N 1 0 393.272 2.987 20 0 GFADRO OCCN1CCCC[C@H]1C[NH2+]Cc1ccc(OC(F)F)c(Br)c1 ZINC000449398794 564184971 /nfs/dbraw/zinc/18/49/71/564184971.db2.gz YVTVNTLUYUGIFU-ZDUSSCGKSA-N 1 0 393.272 2.987 20 0 GFADRO OCCN1CCCC[C@H]1C[NH2+]Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000449392330 564185041 /nfs/dbraw/zinc/18/50/41/564185041.db2.gz JTAWOGXNBHEXPE-SFHVURJKSA-N 1 0 393.329 2.571 20 0 GFADRO C[C@@H]([NH2+]Cc1cc(=O)n2cc(Cl)ccc2n1)c1ccc([S@](C)=O)cc1 ZINC000538268804 564186099 /nfs/dbraw/zinc/18/60/99/564186099.db2.gz NRLPZSXVLMIYTM-YDBLSZJJSA-N 1 0 375.881 2.936 20 0 GFADRO CCOc1cc(C[NH2+]C[C@@H]2CCOC[C@@H]2OC)cc(Br)c1OC ZINC000449455184 564186981 /nfs/dbraw/zinc/18/69/81/564186981.db2.gz LCXHJAFKWKQCRC-BBRMVZONSA-N 1 0 388.302 2.998 20 0 GFADRO O=C1NCC[C@@H]1CC[N@@H+](Cc1cccc(Br)c1)C1CCOCC1 ZINC000563353198 564187530 /nfs/dbraw/zinc/18/75/30/564187530.db2.gz HRUZRXHMJSFFGN-OAHLLOKOSA-N 1 0 381.314 2.956 20 0 GFADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)NCc1cccc(Br)c1C ZINC000563369489 564188401 /nfs/dbraw/zinc/18/84/01/564188401.db2.gz HNRDVYSRGSBRBV-OAHLLOKOSA-N 1 0 384.318 2.668 20 0 GFADRO C[N@H+]1CC=C(CNC(=O)c2cn(-c3ccc(Br)cc3)cn2)CC1 ZINC000538342759 564189200 /nfs/dbraw/zinc/18/92/00/564189200.db2.gz IELWLUBWYBRDIN-UHFFFAOYSA-N 1 0 375.270 2.627 20 0 GFADRO CC[C@H]([NH2+]Cc1cc(I)c(OC)c(OC)c1)[C@@H](C)O ZINC000449541856 564190126 /nfs/dbraw/zinc/19/01/26/564190126.db2.gz LATLOIIVNULABD-SKDRFNHKSA-N 1 0 379.238 2.557 20 0 GFADRO COCC(=O)N1CCC([NH2+][C@@H](C)c2ccc(OC)cc2Br)CC1 ZINC000538395029 564190230 /nfs/dbraw/zinc/19/02/30/564190230.db2.gz WKBRKQUNZDYAEX-LBPRGKRZSA-N 1 0 385.302 2.746 20 0 GFADRO COC(=O)c1ccc(C[NH2+]C[C@@H](CO)Cc2cc(Br)ccc2F)[nH]1 ZINC000449597556 564190696 /nfs/dbraw/zinc/19/06/96/564190696.db2.gz FRVHKRAZUIMWOS-NSHDSACASA-N 1 0 399.260 2.644 20 0 GFADRO Cc1ccc(C[C@@H](CO)C[NH2+]Cc2cccc(C(N)=O)c2)cc1Br ZINC000449598119 564190755 /nfs/dbraw/zinc/19/07/55/564190755.db2.gz HMQMGHSMJBOHQM-MRXNPFEDSA-N 1 0 391.309 2.797 20 0 GFADRO CCOC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1cn(-c2ccccc2Br)nn1 ZINC000449583618 564191136 /nfs/dbraw/zinc/19/11/36/564191136.db2.gz ILEJIRYLGOIOQC-HIFRSBDPSA-N 1 0 393.285 2.851 20 0 GFADRO COCCn1cc(C[NH2+]C[C@@H](CO)Cc2ccc(C)c(Br)c2)cn1 ZINC000449602889 564191954 /nfs/dbraw/zinc/19/19/54/564191954.db2.gz VBASZQCSYBNFPF-INIZCTEOSA-N 1 0 396.329 2.541 20 0 GFADRO CCc1nocc1C[NH2+]C[C@H](CO)Cc1ccc(OC)c(Br)c1 ZINC000449605342 564192006 /nfs/dbraw/zinc/19/20/06/564192006.db2.gz ZCDUWSBMPONUPI-CYBMUJFWSA-N 1 0 383.286 2.949 20 0 GFADRO O=C(Nc1ccc(I)cc1F)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000563449678 564192706 /nfs/dbraw/zinc/19/27/06/564192706.db2.gz ZXRCBHLJEHNXOH-NXEZZACHSA-N 1 0 389.212 2.504 20 0 GFADRO COc1cc(CNc2cc(N(C)C)c(Br)c[nH+]2)cc(OC)c1OC ZINC000449642210 564192836 /nfs/dbraw/zinc/19/28/36/564192836.db2.gz FWNNYUFWKJOCHF-UHFFFAOYSA-N 1 0 396.285 3.548 20 0 GFADRO C[NH+](C)C1(CNC(=O)[C@@H]2C[C@@H]2c2ccc(Br)cc2)CCOCC1 ZINC000506016692 564194924 /nfs/dbraw/zinc/19/49/24/564194924.db2.gz FNNJMFYXSGEOQH-HZPDHXFCSA-N 1 0 381.314 2.780 20 0 GFADRO CC(=O)N1CCC([NH2+]C[C@@H](CO)Cc2cccc(Br)c2C)CC1 ZINC000449678484 564196032 /nfs/dbraw/zinc/19/60/32/564196032.db2.gz AXXPIOLHDCSFMS-HNNXBMFYSA-N 1 0 383.330 2.509 20 0 GFADRO COC1(C[NH2+]C[C@@H](CO)Cc2cccc(Br)c2C)CCOCC1 ZINC000449685593 564197170 /nfs/dbraw/zinc/19/71/70/564197170.db2.gz SRSHLGJAWGEIEK-HNNXBMFYSA-N 1 0 386.330 2.694 20 0 GFADRO CC(C)C(=O)N1CCC([NH2+]C[C@@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000563559711 564197149 /nfs/dbraw/zinc/19/71/49/564197149.db2.gz SBGFECZPQCHWEV-CQSZACIVSA-N 1 0 389.323 2.970 20 0 GFADRO Cc1c(C(=O)N[C@@H]2CC[C@H](C[NH3+])C2)cnn1-c1ccc(Br)cc1 ZINC000449716068 564197946 /nfs/dbraw/zinc/19/79/46/564197946.db2.gz KFJOAOBZRCQBHQ-GXTWGEPZSA-N 1 0 377.286 2.800 20 0 GFADRO [NH3+]CC[C@@H](NC(=O)C[C@H]1Sc2ccc(Cl)cc2NC1=O)C(F)(F)F ZINC000449720135 564198894 /nfs/dbraw/zinc/19/88/94/564198894.db2.gz MMTRYSKJAHSSCG-GHMZBOCLSA-N 1 0 381.807 2.539 20 0 GFADRO COCC1(O)CC[NH+](Cc2cnn(-c3ccc(Br)cc3)c2)CC1 ZINC000538727561 564199447 /nfs/dbraw/zinc/19/94/47/564199447.db2.gz BWMPCVLKKPCZQO-UHFFFAOYSA-N 1 0 380.286 2.608 20 0 GFADRO NC(=O)[C@@H]1CC[C@H]([NH2+]Cc2ccc(Br)c(Br)c2)C1 ZINC000449744808 564199759 /nfs/dbraw/zinc/19/97/59/564199759.db2.gz JVYYMBFBCHGXEK-ZJUUUORDSA-N 1 0 376.092 2.955 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH2+][C@@H]1CC[C@H](C(N)=O)C1 ZINC000449748107 564199847 /nfs/dbraw/zinc/19/98/47/564199847.db2.gz ZPQAUPOFLJHNEH-DZGCQCFKSA-N 1 0 391.313 2.995 20 0 GFADRO COC(=O)[C@H]1CC12CC[NH+](Cc1cc3c(cc1Br)OCCO3)CC2 ZINC000506265126 564200035 /nfs/dbraw/zinc/20/00/35/564200035.db2.gz VGNXPUJHVLYGCE-CYBMUJFWSA-N 1 0 396.281 2.995 20 0 GFADRO C[NH+](C)CCOCCNC(=O)N1CCC[C@H]1c1ccc(Br)cc1 ZINC000471651728 564201276 /nfs/dbraw/zinc/20/12/76/564201276.db2.gz ACKMANJPLGNOED-INIZCTEOSA-N 1 0 384.318 2.874 20 0 GFADRO Cc1ccncc1CCCNc1cc(N2CCOCC2)c(Br)c[nH+]1 ZINC000449771677 564201979 /nfs/dbraw/zinc/20/19/79/564201979.db2.gz YZZYHNCBPTTYNU-UHFFFAOYSA-N 1 0 391.313 3.429 20 0 GFADRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2c(Br)cnn2C)C1 ZINC000449808387 564202692 /nfs/dbraw/zinc/20/26/92/564202692.db2.gz ZFCVHOMXLBOOFG-GXTWGEPZSA-N 1 0 377.286 2.748 20 0 GFADRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1S(=O)(=O)Cc1cccc(Br)c1 ZINC000563722858 564203929 /nfs/dbraw/zinc/20/39/29/564203929.db2.gz IPQQEBTWQGGNPH-CJNGLKHVSA-N 1 0 387.343 2.838 20 0 GFADRO Cn1ncc(Br)c1C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000449838419 564204788 /nfs/dbraw/zinc/20/47/88/564204788.db2.gz FNFJWAOBRBSJDG-CQSZACIVSA-N 1 0 383.334 2.911 20 0 GFADRO CCNS(=O)(=O)[C@@H]1CC[N@H+](CC/C=C\c2ccc(Br)cc2)C1 ZINC000538902052 564205462 /nfs/dbraw/zinc/20/54/62/564205462.db2.gz IEBFBGXHPIXDCS-OICCZTGUSA-N 1 0 387.343 2.866 20 0 GFADRO O=S1(=O)CC[C@@H]([NH2+][C@H](CO)CC2CCC2)c2cc(Br)ccc21 ZINC000563760634 564205709 /nfs/dbraw/zinc/20/57/09/564205709.db2.gz JZUOFIUGQFFGIV-DZGCQCFKSA-N 1 0 388.327 2.808 20 0 GFADRO C[C@H]1C[NH+](CCCCNC(=O)c2ccc(Br)cc2N)C[C@H](C)O1 ZINC000471913179 564207160 /nfs/dbraw/zinc/20/71/60/564207160.db2.gz UNVKYUMRRQRCNC-STQMWFEESA-N 1 0 384.318 2.651 20 0 GFADRO O=C(NCCOc1cccc(Br)c1)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000563798910 564207670 /nfs/dbraw/zinc/20/76/70/564207670.db2.gz MFEIVRDDZSMFLJ-JKSUJKDBSA-N 1 0 382.302 2.515 20 0 GFADRO CCN(CC)C(=O)C[C@H](C)[NH2+]Cc1cc(Br)c2c(c1)OCCO2 ZINC000539045992 564208722 /nfs/dbraw/zinc/20/87/22/564208722.db2.gz SWQTURTUXQPEQC-LBPRGKRZSA-N 1 0 385.302 2.957 20 0 GFADRO CC[NH+]1CCC(CNS(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)CC1 ZINC000563866045 564210682 /nfs/dbraw/zinc/21/06/82/564210682.db2.gz CUVUKBGMOUANPE-UHFFFAOYSA-N 1 0 382.860 2.952 20 0 GFADRO Cc1ccc(CC(=O)N2CC[NH+](C3CCOCC3)CC2)c(Br)c1 ZINC000450033311 564214860 /nfs/dbraw/zinc/21/48/60/564214860.db2.gz PQIZJBYOQHMORA-UHFFFAOYSA-N 1 0 381.314 2.623 20 0 GFADRO C[C@@H]1CN(C[C@H](O)C[NH2+]C(C)(C)c2ccccc2Br)C[C@@H](C)O1 ZINC000539325459 564216830 /nfs/dbraw/zinc/21/68/30/564216830.db2.gz WITYTFVIOUGKFI-RBSFLKMASA-N 1 0 385.346 2.744 20 0 GFADRO O=C(NCC[NH+]1CCCCC1)N[C@@H]1COc2cc(F)c(Br)cc21 ZINC000507041253 564216951 /nfs/dbraw/zinc/21/69/51/564216951.db2.gz RTVHRNDNWDPZEO-CQSZACIVSA-N 1 0 386.265 2.807 20 0 GFADRO C[C@H]1C[C@H](NC(=O)c2cc(F)c(F)cc2I)CC[N@@H+]1C ZINC000472247139 564217561 /nfs/dbraw/zinc/21/75/61/564217561.db2.gz OKPYBAJOAAPUNA-DTWKUNHWSA-N 1 0 394.203 2.782 20 0 GFADRO O=C(NCCC[NH+]1CCCC1)N[C@@H]1COc2cc(F)c(Br)cc21 ZINC000507076733 564217947 /nfs/dbraw/zinc/21/79/47/564217947.db2.gz FGKMLTWIERBFPY-CQSZACIVSA-N 1 0 386.265 2.807 20 0 GFADRO O=C(NCC1CC[NH+](CCO)CC1)c1cc(Cl)c(Br)cc1F ZINC000450170592 564219952 /nfs/dbraw/zinc/21/99/52/564219952.db2.gz WUDLWVLXRJOJPW-UHFFFAOYSA-N 1 0 393.684 2.676 20 0 GFADRO CC[N@H+](CCNC(=O)Nc1ccc(S(C)(=O)=O)c(C(F)F)c1)C1CC1 ZINC000539458810 564220286 /nfs/dbraw/zinc/22/02/86/564220286.db2.gz ABPXMWLVEKUWIS-UHFFFAOYSA-N 1 0 375.441 2.634 20 0 GFADRO Brc1ccc(N2CC[NH+](Cc3ccc4c(c3)C[NH2+]CC4)CC2)nc1 ZINC000564091744 564220306 /nfs/dbraw/zinc/22/03/06/564220306.db2.gz CFZNBVNACFQEFG-UHFFFAOYSA-N 1 0 387.325 2.812 20 0 GFADRO COc1cc(Br)c(C[NH2+]C[C@H](CO)c2cccnc2)c(OC)c1 ZINC000564116949 564221295 /nfs/dbraw/zinc/22/12/95/564221295.db2.gz QQQSXUGIJRAUOZ-CYBMUJFWSA-N 1 0 381.270 2.727 20 0 GFADRO CC(C)[NH+]1CCC(O)(CNC(=O)c2c[nH]c3ccc(Br)cc23)CC1 ZINC000472424182 564222781 /nfs/dbraw/zinc/22/27/81/564222781.db2.gz HNXUPZQPTZRZFW-UHFFFAOYSA-N 1 0 394.313 2.896 20 0 GFADRO COc1ccc(OC(F)(F)F)c(C(=O)N2C[C@@H](SC)[C@H]([NH+](C)C)C2)c1 ZINC000450266143 564224644 /nfs/dbraw/zinc/22/46/44/564224644.db2.gz OAVYANNTABHERD-TZMCWYRMSA-N 1 0 378.416 2.711 20 0 GFADRO C[C@@H](Oc1ccc(Cl)c(Cl)c1)C(=O)NCCC[N@H+](C)CCN(C)C ZINC000564199802 564224973 /nfs/dbraw/zinc/22/49/73/564224973.db2.gz NDPKABCZUKZEIQ-CYBMUJFWSA-N 1 0 376.328 2.760 20 0 GFADRO Brc1ccc(-c2c[nH]c(C[NH2+]CCN3CCSCC3)n2)cc1 ZINC000539710208 564226075 /nfs/dbraw/zinc/22/60/75/564226075.db2.gz HYJPZYXUSGAJBH-UHFFFAOYSA-N 1 0 381.343 2.978 20 0 GFADRO C[C@@H]1C[C@@H](C)C[NH+](CCCNS(=O)(=O)c2ccc(C(F)(F)F)cn2)C1 ZINC000472574966 564226944 /nfs/dbraw/zinc/22/69/44/564226944.db2.gz SNZPECVJXBPCKR-CHWSQXEVSA-N 1 0 379.448 2.747 20 0 GFADRO C[NH+](C)CCOC1CCN(Cc2cc3c(c(Br)c2)OCO3)CC1 ZINC000539832379 564229401 /nfs/dbraw/zinc/22/94/01/564229401.db2.gz RZCBCZQAKLRCKL-UHFFFAOYSA-N 1 0 385.302 2.720 20 0 GFADRO Brc1ccc2c(c1)ncnc2N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000450366964 564229712 /nfs/dbraw/zinc/22/97/12/564229712.db2.gz ASBBZDMDUNBDCX-CYBMUJFWSA-N 1 0 377.286 2.551 20 0 GFADRO C[C@]1(CO)CCC[C@H]1[NH2+]Cc1csc(-c2ccc(S(C)(=O)=O)cc2)n1 ZINC000472619834 564230016 /nfs/dbraw/zinc/23/00/16/564230016.db2.gz SKDPNXAODLCRIN-SJLPKXTDSA-N 1 0 380.535 2.854 20 0 GFADRO CN(C)C(=O)CC[NH+]1CCN(Cc2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000539822387 564230020 /nfs/dbraw/zinc/23/00/20/564230020.db2.gz YMIPTIYYBBMGJE-UHFFFAOYSA-N 1 0 377.838 2.955 20 0 GFADRO C[NH+](C)Cc1ccc(CNc2ccc(I)cn2)cc1F ZINC000450412861 564231449 /nfs/dbraw/zinc/23/14/49/564231449.db2.gz QXWWAJMQXCHOEF-UHFFFAOYSA-N 1 0 385.224 3.499 20 0 GFADRO C[C@H](OC[C@@H](O)C[NH2+]CC1(S(C)(=O)=O)CCCC1)c1ccc(Cl)cc1 ZINC000564445785 564234227 /nfs/dbraw/zinc/23/42/27/564234227.db2.gz IOMUXQSWQIIZPZ-YOEHRIQHSA-N 1 0 389.945 2.726 20 0 GFADRO Cc1cc(Br)cc(NC(=O)C(=O)N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)c1 ZINC000507651716 564237186 /nfs/dbraw/zinc/23/71/86/564237186.db2.gz XPWUYAPFEJZHGT-CJNGLKHVSA-N 1 0 394.313 2.781 20 0 GFADRO COCCCOc1ccc(Cl)cc1S(=O)(=O)N1CCCC[C@H]1[C@H](C)[NH3+] ZINC000507729155 564241400 /nfs/dbraw/zinc/24/14/00/564241400.db2.gz ZIVANWICPZDXDQ-ZFWWWQNUSA-N 1 0 390.933 2.646 20 0 GFADRO C[NH+](C)Cc1cccc(C(=O)NCCCCn2cc(Br)cn2)c1 ZINC000473277836 564243382 /nfs/dbraw/zinc/24/33/82/564243382.db2.gz PMDAFTVLHCLEJR-UHFFFAOYSA-N 1 0 379.302 2.917 20 0 GFADRO O[C@@H](C[NH2+]CCc1csc(N2CCCC2)n1)COc1ccc(Cl)cc1 ZINC000564723685 564245975 /nfs/dbraw/zinc/24/59/75/564245975.db2.gz ORZWUJXJXGGLLB-INIZCTEOSA-N 1 0 381.929 2.969 20 0 GFADRO CN(CCC[NH+](C)C)C(=O)c1cc(I)ccc1Cl ZINC000540513688 564250807 /nfs/dbraw/zinc/25/08/07/564250807.db2.gz GTXNIRFVGVIBTO-UHFFFAOYSA-N 1 0 380.657 2.968 20 0 GFADRO CCOc1c(Br)cc(C(=O)NC[C@]2(C)CCC[NH2+]C2)cc1OC ZINC000564837593 564251833 /nfs/dbraw/zinc/25/18/33/564251833.db2.gz XDBMQLLESRFWLO-QGZVFWFLSA-N 1 0 385.302 2.976 20 0 GFADRO CS[C@H]1CN(CC(=O)N(C)Cc2cc(Cl)cc(Cl)c2)C[C@@H]1[NH+](C)C ZINC000540592399 564252173 /nfs/dbraw/zinc/25/21/73/564252173.db2.gz LMRMYBJZLZJIIU-HOTGVXAUSA-N 1 0 390.380 2.929 20 0 GFADRO C[C@H]1CN([C@@H]2CCCc3ccc(Br)cc32)CCN1S(C)(=O)=O ZINC000540671369 564254039 /nfs/dbraw/zinc/25/40/39/564254039.db2.gz NNZXLJNANDZBRF-BLLLJJGKSA-N 1 0 387.343 2.792 20 0 GFADRO CC[NH+](CC)CCO[C@H]1CCN(S(=O)(=O)c2cc(C)c(Cl)s2)C1 ZINC000473856987 564255496 /nfs/dbraw/zinc/25/54/96/564255496.db2.gz FNLSZUCVFWKZRS-ZDUSSCGKSA-N 1 0 380.963 2.831 20 0 GFADRO C[NH+](C)CCCNC(=O)CSc1nnc(-c2ccccc2Br)o1 ZINC000540731846 564255919 /nfs/dbraw/zinc/25/59/19/564255919.db2.gz VBFBPHBDSJWYTJ-UHFFFAOYSA-N 1 0 399.314 2.659 20 0 GFADRO CCOc1c(Br)cc(C(=O)N[C@H](CC[NH3+])C(F)F)cc1OC ZINC000564957738 564258799 /nfs/dbraw/zinc/25/87/99/564258799.db2.gz BHMLAJXLQCQKNF-SNVBAGLBSA-N 1 0 381.217 2.569 20 0 GFADRO C[C@H]1CC[N@H+](CCNS(=O)(=O)Cc2ccc(Cl)cc2Br)C1 ZINC000540902241 564259536 /nfs/dbraw/zinc/25/95/36/564259536.db2.gz IONGZJJQSSFAQR-NSHDSACASA-N 1 0 395.750 2.864 20 0 GFADRO O=S(=O)(c1cc(Br)ccc1Cl)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000564966913 564260015 /nfs/dbraw/zinc/26/00/15/564260015.db2.gz NNJRHSSDXKKTDM-PHIMTYICSA-N 1 0 393.734 2.723 20 0 GFADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N[C@H](C)c2ccc(Br)cn2)C1 ZINC000473975727 564260770 /nfs/dbraw/zinc/26/07/70/564260770.db2.gz GCKGJGOJGQHNPM-UKRRQHHQSA-N 1 0 399.333 2.561 20 0 GFADRO CCc1cccc(Cl)c1C[NH2+]CCc1ccc(OC)c(S(N)(=O)=O)c1 ZINC000473992823 564261548 /nfs/dbraw/zinc/26/15/48/564261548.db2.gz FRUDNAGRWOPSDM-UHFFFAOYSA-N 1 0 382.913 2.891 20 0 GFADRO COCC[C@@H](C)S(=O)(=O)N(CC[NH+]1CCCC1)Cc1ccc(Cl)cc1 ZINC000541046171 564263662 /nfs/dbraw/zinc/26/36/62/564263662.db2.gz AAEANTPJCABIGE-MRXNPFEDSA-N 1 0 388.961 2.993 20 0 GFADRO CO[C@@H]1CCN(C(=O)Cc2csc(-c3ccccc3Cl)n2)[C@@H](C[NH3+])C1 ZINC000565039902 564264020 /nfs/dbraw/zinc/26/40/20/564264020.db2.gz KUNPKXOTXBAQRI-ZIAGYGMSSA-N 1 0 379.913 2.971 20 0 GFADRO C[NH+](C)C1(CNC(=O)CCNC(=O)Nc2ccc(Br)cc2)CCC1 ZINC000474090956 564264306 /nfs/dbraw/zinc/26/43/06/564264306.db2.gz VFNCHNZCQZKSIC-UHFFFAOYSA-N 1 0 397.317 2.561 20 0 GFADRO COCC[NH2+]C1CCN(C(=O)CCOc2cccc(Cl)c2Cl)CC1 ZINC000565149070 564267437 /nfs/dbraw/zinc/26/74/37/564267437.db2.gz IXLAGHZEMMVUAC-UHFFFAOYSA-N 1 0 375.296 2.989 20 0 GFADRO CC[NH+](CC)CCO[C@H]1CCN(S(=O)(=O)c2ccc(Cl)cc2F)C1 ZINC000474160668 564267480 /nfs/dbraw/zinc/26/74/80/564267480.db2.gz RIOZVXKBTGJSDM-AWEZNQCLSA-N 1 0 378.897 2.601 20 0 GFADRO COC(=O)C1(C[NH2+][C@H](C)c2ccc(Br)cc2OCCCO)CC1 ZINC000451053637 564268227 /nfs/dbraw/zinc/26/82/27/564268227.db2.gz ZQRSYXSHEFYUIL-GFCCVEGCSA-N 1 0 386.286 2.814 20 0 GFADRO CC[NH+](CC)CCO[C@H]1CCN(S(=O)(=O)c2cccc(Cl)c2F)C1 ZINC000474168734 564268782 /nfs/dbraw/zinc/26/87/82/564268782.db2.gz IOGSEBHBHUZSPU-ZDUSSCGKSA-N 1 0 378.897 2.601 20 0 GFADRO CC(C)[C@@H](Oc1ccccc1Br)C(=O)NCC[N@@H+]1CCCOCC1 ZINC000474301102 564273682 /nfs/dbraw/zinc/27/36/82/564273682.db2.gz FXOLOOPRUGVZIB-QGZVFWFLSA-N 1 0 399.329 2.691 20 0 GFADRO O=C(NCC[N@H+]1CC=CCC1)N[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000474308100 564274498 /nfs/dbraw/zinc/27/44/98/564274498.db2.gz LCVHTLDKDQEOLU-INIZCTEOSA-N 1 0 393.329 2.589 20 0 GFADRO O=C(NC[C@H]1CCCC[N@H+]1CCO)c1c[nH]c2cccc(Br)c12 ZINC000565345461 564276885 /nfs/dbraw/zinc/27/68/85/564276885.db2.gz GMWBYHOJWIBTLW-GFCCVEGCSA-N 1 0 380.286 2.507 20 0 GFADRO CCC[C@H](OC)C(=O)Nc1ccc(CN2CC[NH+](C)CC2)c(Br)c1 ZINC000451113993 564277049 /nfs/dbraw/zinc/27/70/49/564277049.db2.gz CFLXSWFEEJTBNU-KRWDZBQOSA-N 1 0 398.345 2.950 20 0 GFADRO COc1cc(C[NH2+]C[C@@H]2CCCCS2(=O)=O)ccc1OCC(F)(F)F ZINC000541379425 564277302 /nfs/dbraw/zinc/27/73/02/564277302.db2.gz MGUFEJUTEDXHEM-ZDUSSCGKSA-N 1 0 381.416 2.693 20 0 GFADRO C[C@@H](Cn1cccn1)[NH2+]Cc1c(F)ccc(I)c1F ZINC000474461591 564279860 /nfs/dbraw/zinc/27/98/60/564279860.db2.gz PLHYWXHMLQDEKX-VIFPVBQESA-N 1 0 377.176 2.944 20 0 GFADRO CC(C)C(=O)NCCC[NH2+]Cc1c(Br)cncc1Br ZINC000565453407 564281328 /nfs/dbraw/zinc/28/13/28/564281328.db2.gz AURMMKVUDHPURV-UHFFFAOYSA-N 1 0 393.123 2.859 20 0 GFADRO CC(C)COC[C@@H](O)C[NH2+]Cc1c(F)ccc(I)c1F ZINC000474602762 564282501 /nfs/dbraw/zinc/28/25/01/564282501.db2.gz DAOHCRBHHBMCBR-JTQLQIEISA-N 1 0 399.219 2.693 20 0 GFADRO CC1(C)OCC[C@H]1[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000451235091 564290484 /nfs/dbraw/zinc/29/04/84/564290484.db2.gz HKNCCHMJKKKXQJ-BXUZGUMPSA-N 1 0 378.694 2.999 20 0 GFADRO NC(=O)[C@@H]1CCC[C@@H]([NH2+]Cc2c(F)ccc(I)c2F)C1 ZINC000474821504 564290491 /nfs/dbraw/zinc/29/04/91/564290491.db2.gz LDGWZSLRXHVGIS-RKDXNWHRSA-N 1 0 394.203 2.703 20 0 GFADRO C[C@H]([NH2+][C@H]1CCOC1(C)C)C(=O)Nc1ccc(I)cc1 ZINC000451248067 564290994 /nfs/dbraw/zinc/29/09/94/564290994.db2.gz YYQMQIHADWIOKS-GWCFXTLKSA-N 1 0 388.249 2.775 20 0 GFADRO C[C@@H]1c2ccsc2CCN1C(=O)C(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000565706251 564293230 /nfs/dbraw/zinc/29/32/30/564293230.db2.gz PHCYZRLAAIEHGZ-TZMCWYRMSA-N 1 0 377.535 2.674 20 0 GFADRO Cc1cc(C(=O)NCCC[NH2+]C2CC2)nn1-c1ccc(Br)cc1 ZINC000565717801 564293323 /nfs/dbraw/zinc/29/33/23/564293323.db2.gz VMLMHAOLYWNOCB-UHFFFAOYSA-N 1 0 377.286 2.815 20 0 GFADRO COC(=O)C[C@@H]1CC[C@@H]([NH2+]CC(=O)Nc2cccc(Br)c2)[C@@H]1C ZINC000474944495 564294505 /nfs/dbraw/zinc/29/45/05/564294505.db2.gz PKYSOAFHSJATJX-TYNCELHUSA-N 1 0 383.286 2.955 20 0 GFADRO COC(=O)C[C@@H]1CC[C@@H]([NH2+]CC(=O)Nc2cccc(Br)c2)[C@H]1C ZINC000474944492 564294824 /nfs/dbraw/zinc/29/48/24/564294824.db2.gz PKYSOAFHSJATJX-SLEUVZQESA-N 1 0 383.286 2.955 20 0 GFADRO COc1cc(C[NH2+]CCNS(=O)(=O)c2ccc(F)cc2Cl)ccc1C ZINC000509402173 564296390 /nfs/dbraw/zinc/29/63/90/564296390.db2.gz QFTNNGXYYSYEDA-UHFFFAOYSA-N 1 0 386.876 2.864 20 0 GFADRO CN(C)S(=O)(=O)CCC[NH+]1CCC(c2nc(C(F)(F)F)cs2)CC1 ZINC000451293290 564296651 /nfs/dbraw/zinc/29/66/51/564296651.db2.gz GSXIRJRRDPEGQM-UHFFFAOYSA-N 1 0 385.477 2.623 20 0 GFADRO COC[C@H](C)OC[C@@H](O)C[NH+]1CCC(c2nc(C(F)(F)F)cs2)CC1 ZINC000451292112 564296764 /nfs/dbraw/zinc/29/67/64/564296764.db2.gz BZQVLZLORMPENO-AAEUAGOBSA-N 1 0 382.448 2.754 20 0 GFADRO Cc1ccccc1OC[C@H](O)C[NH2+][C@@H](CO)c1ccc(Br)cc1 ZINC000541980444 564297306 /nfs/dbraw/zinc/29/73/06/564297306.db2.gz BWENEVNPSMLGDD-SJORKVTESA-N 1 0 380.282 2.820 20 0 GFADRO O=S(=O)(NCC[NH2+][C@@H]1CCc2ccccc2C1)c1ccc(F)cc1Cl ZINC000509410686 564297422 /nfs/dbraw/zinc/29/74/22/564297422.db2.gz NWJQXUIZZKQJIW-MRXNPFEDSA-N 1 0 382.888 2.905 20 0 GFADRO C[C@H]1C[C@H](NS(=O)(=O)Cc2ccc(Br)c(F)c2)C[N@@H+]1C1CC1 ZINC000451299105 564297817 /nfs/dbraw/zinc/29/78/17/564297817.db2.gz RDSOIKJJQXNDCH-JQWIXIFHSA-N 1 0 391.306 2.633 20 0 GFADRO Cn1cc(CN2C[C@@H](F)C[C@H]2C[NH2+]Cc2ccc(Br)s2)cn1 ZINC000475049867 564298244 /nfs/dbraw/zinc/29/82/44/564298244.db2.gz TTWUVNTVFKIGLT-STQMWFEESA-N 1 0 387.322 2.946 20 0 GFADRO Cn1c2cc(Br)ccc2nc1C[N@@H+]1C[C@H](O)C[C@@H]1[C@H]1CCCOC1 ZINC000451308421 564298823 /nfs/dbraw/zinc/29/88/23/564298823.db2.gz VOGWEGWGDZIERD-JGGQBBKZSA-N 1 0 394.313 2.698 20 0 GFADRO C[NH+](C)CCOc1cnccc1CNC(=O)Cc1cccc(Br)c1 ZINC000565917972 564301659 /nfs/dbraw/zinc/30/16/59/564301659.db2.gz ZSTBKBVMHRMTKD-UHFFFAOYSA-N 1 0 392.297 2.643 20 0 GFADRO COc1cc(C(F)(F)F)cc(S(=O)(=O)N2CCC(C[NH+](C)C)CC2)c1 ZINC000451357385 564304848 /nfs/dbraw/zinc/30/48/48/564304848.db2.gz GOUJRNUCOCNXOC-UHFFFAOYSA-N 1 0 380.432 2.676 20 0 GFADRO CC[C@H](C(=O)NC[C@@H](O)COc1cccc(Cl)c1Cl)[NH+](CC)CC ZINC000475341577 564305606 /nfs/dbraw/zinc/30/56/06/564305606.db2.gz GQMWRHXBPPOHIU-TZMCWYRMSA-N 1 0 377.312 2.970 20 0 GFADRO COC[C@H](Cc1ccccc1)[NH2+][C@H](C(N)=O)c1cccc(Br)c1 ZINC000475447950 564308754 /nfs/dbraw/zinc/30/87/54/564308754.db2.gz VTEFPRDGBIVSDU-IRXDYDNUSA-N 1 0 377.282 2.823 20 0 GFADRO COc1ccc(C(=O)N2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)c(Br)c1 ZINC000566093695 564308835 /nfs/dbraw/zinc/30/88/35/564308835.db2.gz HWOZOTZYIMVRLO-GUYCJALGSA-N 1 0 397.313 2.816 20 0 GFADRO COc1cc(C[NH2+][C@@]2(C)CCO[C@H]2C)cc(I)c1OC ZINC000542313896 564309307 /nfs/dbraw/zinc/30/93/07/564309307.db2.gz IHWIEJFVZNRKPW-BONVTDFDSA-N 1 0 391.249 2.966 20 0 GFADRO Cn1cc(C[NH2+]C[C@@H](O)COCc2ccccc2Cl)c(C(F)(F)F)n1 ZINC000566114306 564310471 /nfs/dbraw/zinc/31/04/71/564310471.db2.gz FMSYBYPJYASHLJ-CYBMUJFWSA-N 1 0 377.794 2.760 20 0 GFADRO CN(C)C(=O)C1([NH2+]C[C@H](O)COc2cccc(Br)c2)CCCCC1 ZINC000451407601 564310535 /nfs/dbraw/zinc/31/05/35/564310535.db2.gz VGSFHDDQGATAGU-HNNXBMFYSA-N 1 0 399.329 2.570 20 0 GFADRO COc1cc(C[NH2+]C[C@@H](O)COc2cccc(Br)c2)ccc1O ZINC000566117624 564310715 /nfs/dbraw/zinc/31/07/15/564310715.db2.gz WFJKYXHIJQFMNC-CQSZACIVSA-N 1 0 382.254 2.693 20 0 GFADRO Cc1ccc(CC[NH2+]CCS(=O)(=O)c2cccc(Br)c2)cn1 ZINC000566116921 564310902 /nfs/dbraw/zinc/31/09/02/564310902.db2.gz NYWPOBRBLHLTFX-UHFFFAOYSA-N 1 0 383.311 2.759 20 0 GFADRO CCOC(=O)C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C)c1cccc(Br)c1 ZINC000542419656 564312285 /nfs/dbraw/zinc/31/22/85/564312285.db2.gz KCZCNEBSMAJXHN-GJZGRUSLSA-N 1 0 383.286 2.654 20 0 GFADRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)C(=O)Nc1ccc(Br)cc1F ZINC000509787489 564313721 /nfs/dbraw/zinc/31/37/21/564313721.db2.gz DFQPFAHLCZEDDI-ABAIWWIYSA-N 1 0 398.276 2.612 20 0 GFADRO Cc1ccccc1[C@@H]([NH3+])C(=O)NCc1cc(Br)c2c(c1)OCCO2 ZINC000566163434 564313818 /nfs/dbraw/zinc/31/38/18/564313818.db2.gz BQBHFFANMVIBOV-MRXNPFEDSA-N 1 0 391.265 2.845 20 0 GFADRO Cc1ccc(NC(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)c(Br)c1 ZINC000509790098 564313902 /nfs/dbraw/zinc/31/39/02/564313902.db2.gz IOYJHPTZSHUCAF-XJKSGUPXSA-N 1 0 394.313 2.781 20 0 GFADRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)Nc1cc(F)c(F)cc1I ZINC000566620131 564335147 /nfs/dbraw/zinc/33/51/47/564335147.db2.gz NSAANSMWAUFIAE-RNFRBKRXSA-N 1 0 383.180 2.817 20 0 GFADRO Cc1cc([C@H](C)[NH2+]CC(=O)N(CC(C)C)[C@@H]2CCS(=O)(=O)C2)c(C)s1 ZINC000542509439 564316652 /nfs/dbraw/zinc/31/66/52/564316652.db2.gz BIROKZONAPMKFC-GOEBONIOSA-N 1 0 386.583 2.687 20 0 GFADRO C[C@@]1(F)CNCCN(C(=O)c2cc(-c3ccc(Br)cc3)n[nH]2)C1 ZINC000566214610 564317325 /nfs/dbraw/zinc/31/73/25/564317325.db2.gz UPOSGZBWELPKOW-MRXNPFEDSA-N 1 0 381.249 2.613 20 0 GFADRO NC(=O)C1(C[NH2+]Cc2ncc(Br)cc2Br)CCCC1 ZINC000542516249 564317362 /nfs/dbraw/zinc/31/73/62/564317362.db2.gz BLKUFOJLAKAMAU-UHFFFAOYSA-N 1 0 391.107 2.742 20 0 GFADRO C[C@]1(F)CNCCN(C(=O)c2cc(-c3ccc(Br)cc3)n[nH]2)C1 ZINC000566214609 564317551 /nfs/dbraw/zinc/31/75/51/564317551.db2.gz UPOSGZBWELPKOW-INIZCTEOSA-N 1 0 381.249 2.613 20 0 GFADRO CO[C@@H]1C[C@H]([NH2+]CCS(=O)(=O)c2ccc(Br)cc2)C1(C)C ZINC000451475898 564317906 /nfs/dbraw/zinc/31/79/06/564317906.db2.gz DLWBJXCXJYYDRY-UONOGXRCSA-N 1 0 376.316 2.626 20 0 GFADRO C[C@H]([NH2+]CC(=O)N(C)Cc1cc(Br)cs1)[C@H]1CCCOC1 ZINC000542579060 564317963 /nfs/dbraw/zinc/31/79/63/564317963.db2.gz WBQIKPWIIWTIFM-RYUDHWBXSA-N 1 0 375.332 2.874 20 0 GFADRO CCOCCOc1ccc(Br)cc1CN1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000566230179 564318063 /nfs/dbraw/zinc/31/80/63/564318063.db2.gz PHNFYAWGJLZRQS-GDBMZVCRSA-N 1 0 383.330 2.906 20 0 GFADRO Cc1ccc(C[C@@H](CO)[NH2+]C[C@@H](O)COc2cccc(Br)c2)cc1 ZINC000566232094 564318306 /nfs/dbraw/zinc/31/83/06/564318306.db2.gz YNHMLPAGWZNFFX-ZWKOTPCHSA-N 1 0 394.309 2.690 20 0 GFADRO COCC[N@@H+]1CC[C@@H](NC(=O)c2cc(Br)ccc2OC(F)F)C1 ZINC000566268378 564321016 /nfs/dbraw/zinc/32/10/16/564321016.db2.gz VFONXJAALGQLHU-LLVKDONJSA-N 1 0 393.228 2.501 20 0 GFADRO COC(=O)c1occc1C[NH2+]CCCNC(=O)c1ccc(Br)cc1 ZINC000566389458 564325435 /nfs/dbraw/zinc/32/54/35/564325435.db2.gz LSSDYVLNIKNXHK-UHFFFAOYSA-N 1 0 395.253 2.738 20 0 GFADRO CS(=O)(=O)N1CC[C@@H](C[N@@H+]2CC[C@@H](c3cccc(Br)c3)C2)C1 ZINC000451568651 564326879 /nfs/dbraw/zinc/32/68/79/564326879.db2.gz NHLMZFAXLDDHIE-DZGCQCFKSA-N 1 0 387.343 2.520 20 0 GFADRO C[C@H](C(=O)NC(=O)NC1CC1)N1CC[C@@H](c2cccc(Br)c2)C1 ZINC000451572620 564327387 /nfs/dbraw/zinc/32/73/87/564327387.db2.gz SFGLEMZAGHPHMC-DGCLKSJQSA-N 1 0 380.286 2.615 20 0 GFADRO CC[NH+](CC)CC[C@H](CO)NC(=O)c1ccc(Cl)c(Br)c1 ZINC000566457529 564327785 /nfs/dbraw/zinc/32/77/85/564327785.db2.gz TXJOLYICWLXZMC-GFCCVEGCSA-N 1 0 377.710 2.925 20 0 GFADRO COCCCOc1ccc(Cl)cc1S(=O)(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000476340155 564336242 /nfs/dbraw/zinc/33/62/42/564336242.db2.gz GOPUCFMXICIAHY-DZGCQCFKSA-N 1 0 390.933 2.516 20 0 GFADRO COc1cc(Br)ccc1CCCNC(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000543201224 564342671 /nfs/dbraw/zinc/34/26/71/564342671.db2.gz NZSSYKASIVNAJZ-OAHLLOKOSA-N 1 0 396.329 2.926 20 0 GFADRO CC[C@H]1C[N@H+](CC)CCN1CC(=O)N(C)Cc1ccccc1Br ZINC000451724637 564344030 /nfs/dbraw/zinc/34/40/30/564344030.db2.gz HVWRHSMQCXELRE-INIZCTEOSA-N 1 0 382.346 2.824 20 0 GFADRO CS(=O)(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCc1cccc(OC(F)(F)F)c1 ZINC000510745168 564345706 /nfs/dbraw/zinc/34/57/06/564345706.db2.gz JCVFCPIMWSJJRO-HUUCEWRRSA-N 1 0 380.432 2.578 20 0 GFADRO CC(=O)c1cc(Br)ccc1OCC(=O)N1CCC[N@@H+](C(C)C)CC1 ZINC000510856532 564348862 /nfs/dbraw/zinc/34/88/62/564348862.db2.gz GOZRQRPZTMJVEE-UHFFFAOYSA-N 1 0 397.313 2.973 20 0 GFADRO C[NH+](C)C[C@H]1CCCCN1C(=O)c1cnc2ccc(Br)cc2c1O ZINC000543433893 564350609 /nfs/dbraw/zinc/35/06/09/564350609.db2.gz BBURKGUNLORIBF-CYBMUJFWSA-N 1 0 392.297 2.847 20 0 GFADRO COC[C@@H]([NH2+]CC(=O)Nc1ccc(I)cc1C)C(C)C ZINC000543453113 564351264 /nfs/dbraw/zinc/35/12/64/564351264.db2.gz GZCNHKALSZIKNV-CQSZACIVSA-N 1 0 390.265 2.799 20 0 GFADRO [NH3+][C@@H]1CCC[C@H](CNC(=O)CNC(=O)c2sc3ccccc3c2Cl)C1 ZINC000566972905 564351739 /nfs/dbraw/zinc/35/17/39/564351739.db2.gz DTOIREAEDHUODU-NWDGAFQWSA-N 1 0 379.913 2.918 20 0 GFADRO C[C@]1(C(=O)N2CCN(Cc3cc(Br)ccc3F)CC2)CCC[NH2+]C1 ZINC000566973974 564351834 /nfs/dbraw/zinc/35/18/34/564351834.db2.gz OWJXAGTVZAJBQL-SFHVURJKSA-N 1 0 398.320 2.622 20 0 GFADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)NCc1nc2cc(Cl)ccc2s1 ZINC000476709429 564352219 /nfs/dbraw/zinc/35/22/19/564352219.db2.gz OWYJZYFDFMMXHA-ZDUSSCGKSA-N 1 0 382.917 2.860 20 0 GFADRO CN(C)CC[N@H+](C)CCCNC(=O)c1cc(Cl)c(F)cc1Br ZINC000451799910 564353380 /nfs/dbraw/zinc/35/33/80/564353380.db2.gz YIFUCCNBPDDHBX-UHFFFAOYSA-N 1 0 394.716 2.855 20 0 GFADRO COC(=O)C[C@](C)(NC(=O)C[N@H+](C)C(C)C)c1ccc(Br)cc1 ZINC000476825682 564354711 /nfs/dbraw/zinc/35/47/11/564354711.db2.gz JUYYJNMRJZPLLI-KRWDZBQOSA-N 1 0 385.302 2.684 20 0 GFADRO CC[NH+](CC)CCOCCNC(=O)Cc1c[nH]c2cc(Br)ccc12 ZINC000543611486 564355241 /nfs/dbraw/zinc/35/52/41/564355241.db2.gz MEDLYRWLQBHXTM-UHFFFAOYSA-N 1 0 396.329 2.948 20 0 GFADRO C[C@@H](O)C[N@@H+]1CCN(C(=O)CCCOc2cccc(Br)c2)[C@@H](C)C1 ZINC000476850995 564355523 /nfs/dbraw/zinc/35/55/23/564355523.db2.gz RTTMTEYLIROYKF-LSDHHAIUSA-N 1 0 399.329 2.522 20 0 GFADRO CN(C[C@@H]1CCC[N@H+](Cc2c(Cl)ccc3cccnc32)C1)S(C)(=O)=O ZINC000511081408 564355638 /nfs/dbraw/zinc/35/56/38/564355638.db2.gz MXKBVNFPVLOPAA-AWEZNQCLSA-N 1 0 381.929 2.992 20 0 GFADRO CC(C)(CC[NH2+]C[C@H](O)COc1c(Cl)cccc1Cl)S(C)(=O)=O ZINC000567228097 564362283 /nfs/dbraw/zinc/36/22/83/564362283.db2.gz FUIMPIQQCRRZHS-NSHDSACASA-N 1 0 384.325 2.536 20 0 GFADRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NCc1c(C)cc(Br)cc1C ZINC000477090928 564364363 /nfs/dbraw/zinc/36/43/63/564364363.db2.gz ADHJPZWPRDSDCF-CQSZACIVSA-N 1 0 398.345 2.529 20 0 GFADRO CCN(Cc1cccc(Br)c1)C(=O)C(=O)N[C@@H](C)C[NH+](CC)CC ZINC000477109300 564364387 /nfs/dbraw/zinc/36/43/87/564364387.db2.gz TZNRFBNZFQZMGA-AWEZNQCLSA-N 1 0 398.345 2.644 20 0 GFADRO O[C@H]([C@@H]1CC[N@@H+](C[C@H](O)COc2ccc(Cl)cc2Cl)C1)C(F)(F)F ZINC000451902478 564364641 /nfs/dbraw/zinc/36/46/41/564364641.db2.gz HXBQBMRUHDTPKU-OLUVUFQESA-N 1 0 388.213 2.978 20 0 GFADRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N[C@H](CCO)c1ccccc1Br ZINC000543824722 564364698 /nfs/dbraw/zinc/36/46/98/564364698.db2.gz ODZPWLQNHFPSDU-JLZZUVOBSA-N 1 0 396.329 2.655 20 0 GFADRO OC[C@H]([NH2+]C[C@@H](O)COCc1cccs1)c1ccc(Br)cc1 ZINC000543837773 564366008 /nfs/dbraw/zinc/36/60/08/564366008.db2.gz FHDYHCFJRUKRQZ-ZBFHGGJFSA-N 1 0 386.311 2.711 20 0 GFADRO COCCNS(=O)(=O)c1cccc(C[NH2+]Cc2ccc(SC)s2)c1 ZINC000567315449 564366141 /nfs/dbraw/zinc/36/61/41/564366141.db2.gz SOYLEACCQLTTCK-UHFFFAOYSA-N 1 0 386.564 2.685 20 0 GFADRO CS[C@@H]1CN(S(=O)(=O)Cc2ccc(F)c(Cl)c2)C[C@H]1[NH+]1CCCC1 ZINC000477138909 564366444 /nfs/dbraw/zinc/36/64/44/564366444.db2.gz PXHVZYFNPKCGNM-HZPDHXFCSA-N 1 0 392.949 2.821 20 0 GFADRO O[C@H]([C@@H]1CC[N@@H+](C[C@H](O)COc2c(Cl)cccc2Cl)C1)C(F)(F)F ZINC000451918768 564366709 /nfs/dbraw/zinc/36/67/09/564366709.db2.gz YXBOKROFWNEWOH-ISTVAULSSA-N 1 0 388.213 2.978 20 0 GFADRO COc1ccc(Br)c2[nH]c(C(=O)N3CC[C@H](C[NH+](C)C)C3)cc21 ZINC000543954474 564369625 /nfs/dbraw/zinc/36/96/25/564369625.db2.gz YSDBEIBMWHNZRP-LLVKDONJSA-N 1 0 380.286 2.963 20 0 GFADRO COC(=O)c1ccc(C[NH2+][C@@H](C)Cn2cc(Br)cn2)nc1C1CC1 ZINC000567429677 564371208 /nfs/dbraw/zinc/37/12/08/564371208.db2.gz YALLNENMDHTXSD-NSHDSACASA-N 1 0 393.285 2.883 20 0 GFADRO CC(=O)c1cc(Br)ccc1OCC(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000511445778 564372230 /nfs/dbraw/zinc/37/22/30/564372230.db2.gz QYKGFUWKNVIHGT-AWEZNQCLSA-N 1 0 383.286 2.583 20 0 GFADRO C[C@@H]1CCC[N@H+](CCNC(=O)c2ccc(F)c(I)c2)C1 ZINC000477304308 564372428 /nfs/dbraw/zinc/37/24/28/564372428.db2.gz BSJZFXNVOCBWFD-LLVKDONJSA-N 1 0 390.240 2.892 20 0 GFADRO Cc1cc(COc2ccc(C(=O)N[C@H](C)CC[NH3+])cc2Br)on1 ZINC000477314461 564373097 /nfs/dbraw/zinc/37/30/97/564373097.db2.gz OKADKUKRONSYCT-SNVBAGLBSA-N 1 0 382.258 2.792 20 0 GFADRO CC(C)[N@H+](C)CCCNC(=O)c1ccc(F)c(I)c1 ZINC000477344101 564374449 /nfs/dbraw/zinc/37/44/49/564374449.db2.gz ZMGXTZRYDXMPAC-UHFFFAOYSA-N 1 0 378.229 2.890 20 0 GFADRO COC(=O)CC[C@@H]([NH3+])C(=O)NCc1nc(-c2ccc(Cl)cc2)c(C)s1 ZINC000567497359 564374682 /nfs/dbraw/zinc/37/46/82/564374682.db2.gz SCSNDUOWHXSHIG-CYBMUJFWSA-N 1 0 381.885 2.669 20 0 GFADRO O=C1COc2ccc(C[NH2+][C@@H](CO)c3cccc(Br)c3)cc2N1 ZINC000511589488 564376145 /nfs/dbraw/zinc/37/61/45/564376145.db2.gz ZYYAFNHQKQIGGN-HNNXBMFYSA-N 1 0 377.238 2.603 20 0 GFADRO C[C@@H](CNS(=O)(=O)c1ccc(OC(F)F)c(F)c1)[NH+]1CCC(C)CC1 ZINC000567569226 564377270 /nfs/dbraw/zinc/37/72/70/564377270.db2.gz QGGOABYARJYQRO-LBPRGKRZSA-N 1 0 380.432 2.826 20 0 GFADRO O=C(CC[N@@H+]1CC[C@@H](C(F)(F)F)[C@@H](CO)C1)N1CCc2sccc2C1 ZINC000511632945 564378755 /nfs/dbraw/zinc/37/87/55/564378755.db2.gz YNHXCENKFIYLRD-ZIAGYGMSSA-N 1 0 376.444 2.516 20 0 GFADRO OCCOc1ccc(C[NH2+]C[C@H](O)COc2ccc(Cl)cc2Cl)cc1 ZINC000567588849 564379018 /nfs/dbraw/zinc/37/90/18/564379018.db2.gz LIUMMWFECQSOMA-HNNXBMFYSA-N 1 0 386.275 2.894 20 0 GFADRO CS(=O)(=O)N1CC[C@H]([NH2+][C@H](Cc2cccnc2)c2cccc(Cl)c2)C1 ZINC000567619193 564380234 /nfs/dbraw/zinc/38/02/34/564380234.db2.gz QJQCQFQRQTZORI-ZWKOTPCHSA-N 1 0 379.913 2.642 20 0 GFADRO [NH3+][C@H]1CCCO[C@@H]1C1CCN(C(=O)COc2ccc(Br)cc2)CC1 ZINC000567658429 564381656 /nfs/dbraw/zinc/38/16/56/564381656.db2.gz HAYSWOCXZSJMRL-FUHWJXTLSA-N 1 0 397.313 2.573 20 0 GFADRO CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CCNC(=O)[C@H]1c1cccc(Br)c1 ZINC000477613522 564381776 /nfs/dbraw/zinc/38/17/76/564381776.db2.gz RSAABEIOKIHNLK-SWLSCSKDSA-N 1 0 396.329 2.615 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)c1cc(F)ccc1I)C1CC1 ZINC000511816989 564383155 /nfs/dbraw/zinc/38/31/55/564383155.db2.gz ILXQXWDWEHMHKP-ZDUSSCGKSA-N 1 0 376.213 2.500 20 0 GFADRO Cc1ccccc1OC[C@H](O)C[NH2+]Cc1ccc(S(C)(=O)=O)c(Cl)c1 ZINC000567726705 564385381 /nfs/dbraw/zinc/38/53/81/564385381.db2.gz SGAXXCZIPQWPCF-OAHLLOKOSA-N 1 0 383.897 2.581 20 0 GFADRO COC(=O)[C@@H](c1cc(Cl)cc(Cl)c1)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000477767289 564386708 /nfs/dbraw/zinc/38/67/08/564386708.db2.gz VICOFFMAPYUPBN-SUMWQHHRSA-N 1 0 387.307 2.862 20 0 GFADRO Cc1sc2nc(C)nc(SCC(=O)N3CC[C@H]4[NH2+]CC[C@H]4C3)c2c1C ZINC000567814003 564390261 /nfs/dbraw/zinc/39/02/61/564390261.db2.gz VYXAZCFOURASDM-UONOGXRCSA-N 1 0 376.551 2.919 20 0 GFADRO CCS(=O)(=O)N1CCC(C[NH2+]Cc2cc(Br)ccc2F)CC1 ZINC000544614232 564391009 /nfs/dbraw/zinc/39/10/09/564391009.db2.gz FDZKNEUKBAJLFT-UHFFFAOYSA-N 1 0 393.322 2.740 20 0 GFADRO CC[N@@H+]1CCCN(C(=O)c2cc(Br)cnc2OCC2CC2)CC1 ZINC000512105059 564391215 /nfs/dbraw/zinc/39/12/15/564391215.db2.gz KTPNNINMGVEADS-UHFFFAOYSA-N 1 0 382.302 2.801 20 0 GFADRO CCOCCOC[C@H](O)C[NH2+][C@H]1CCCOc2cc(Br)ccc21 ZINC000477950916 564391896 /nfs/dbraw/zinc/39/18/96/564391896.db2.gz UUDFXPXVDWESNT-ZBFHGGJFSA-N 1 0 388.302 2.666 20 0 GFADRO CCCc1c(C(=O)N[C@H](C)[C@@H](C)[NH3+])nnn1Cc1cccc(Br)c1 ZINC000567848442 564392034 /nfs/dbraw/zinc/39/20/34/564392034.db2.gz DACGWJCNDHMQOJ-VXGBXAGGSA-N 1 0 394.317 2.507 20 0 GFADRO [NH3+][C@@H]1CCC[C@H](CNC(=O)[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C1 ZINC000567845159 564392126 /nfs/dbraw/zinc/39/21/26/564392126.db2.gz MQNCBMVNKBSQKI-SCRDCRAPSA-N 1 0 384.307 2.980 20 0 GFADRO O=S(=O)(NCCC[C@@H]1CCC[NH2+]1)c1ccc(Cl)c(Br)c1 ZINC000567862056 564392674 /nfs/dbraw/zinc/39/26/74/564392674.db2.gz IUNGXZGMEXXZHG-JTQLQIEISA-N 1 0 381.723 2.913 20 0 GFADRO CC(=O)Nc1ccc(NC(=O)C[NH2+][C@H]2CSC[C@H]2C)c(C(F)(F)F)c1 ZINC000512165562 564393283 /nfs/dbraw/zinc/39/32/83/564393283.db2.gz LPFASDXWPUXRCT-OTYXRUKQSA-N 1 0 375.416 2.943 20 0 GFADRO COCC[NH+]1CCC(NC(=O)NCc2cccc(Br)c2C)CC1 ZINC000567912542 564395418 /nfs/dbraw/zinc/39/54/18/564395418.db2.gz LTRGEGVROKTEEJ-UHFFFAOYSA-N 1 0 384.318 2.668 20 0 GFADRO CN1CC[C@H]([NH2+]Cc2cc(Cl)cc(S(N)(=O)=O)c2)[C@@H]1c1ccccc1 ZINC000567902532 564395468 /nfs/dbraw/zinc/39/54/68/564395468.db2.gz OPHYHBKGWXBSHY-ROUUACIJSA-N 1 0 379.913 2.522 20 0 GFADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CCc3cc(Br)ccc32)C1 ZINC000567945513 564397755 /nfs/dbraw/zinc/39/77/55/564397755.db2.gz VFSVHARHJPHUFE-SJLPKXTDSA-N 1 0 395.341 2.952 20 0 GFADRO CC(C)(CNC(=O)N[C@H](CO)c1cccc(Br)c1)C[NH+]1CCCC1 ZINC000478403364 564400644 /nfs/dbraw/zinc/40/06/44/564400644.db2.gz JVQDXBKSNPUVLV-MRXNPFEDSA-N 1 0 398.345 2.904 20 0 GFADRO CC(C)[N@H+](C)CC(=O)N[C@@H](CO)c1ccc(Br)cc1C(F)(F)F ZINC000478426601 564401886 /nfs/dbraw/zinc/40/18/86/564401886.db2.gz FOISBBWAKOSAHO-ZDUSSCGKSA-N 1 0 397.235 2.958 20 0 GFADRO CCn1c(CNC(=O)NC2CC[NH+](C)CC2)nc2cc(Br)ccc21 ZINC000478433881 564402528 /nfs/dbraw/zinc/40/25/28/564402528.db2.gz KGJFODCLTLUBKG-UHFFFAOYSA-N 1 0 394.317 2.712 20 0 GFADRO COc1c[nH+]ccc1N1CCN(C(=O)c2cc(Br)cs2)CC1 ZINC000478471553 564403900 /nfs/dbraw/zinc/40/39/00/564403900.db2.gz ANFZLPICIQBYMJ-UHFFFAOYSA-N 1 0 382.283 2.877 20 0 GFADRO CC(=O)Nc1ccccc1C[NH2+]C[C@H](O)COc1cccc(Br)c1 ZINC000568078124 564404488 /nfs/dbraw/zinc/40/44/88/564404488.db2.gz GYRDJGBUQAOKMR-INIZCTEOSA-N 1 0 393.281 2.937 20 0 GFADRO COCC[N@@H+]1CCCN(C(=O)[C@@H](C)Oc2ccc(C)cc2Br)CC1 ZINC000478557980 564407265 /nfs/dbraw/zinc/40/72/65/564407265.db2.gz IPORNMKBDZSMLH-OAHLLOKOSA-N 1 0 399.329 2.706 20 0 GFADRO COCC[N@@H+]1CCCN(C(=O)[C@H](C)Oc2ccc(Cl)c(Cl)c2)CC1 ZINC000478567505 564408046 /nfs/dbraw/zinc/40/80/46/564408046.db2.gz ZWAYFBRQXREMAM-ZDUSSCGKSA-N 1 0 375.296 2.941 20 0 GFADRO CC(C)(C(=O)NC[C@@H]1CCCC[N@@H+]1CCO)c1ccccc1Br ZINC000452362451 564408641 /nfs/dbraw/zinc/40/86/41/564408641.db2.gz BJGBIKJIXVEBQR-AWEZNQCLSA-N 1 0 383.330 2.690 20 0 GFADRO C[NH+](C)CCn1ccc(C(=O)NC(C)(C)c2ccccc2Br)n1 ZINC000568202972 564408795 /nfs/dbraw/zinc/40/87/95/564408795.db2.gz BNUJOGIXSIDYPW-UHFFFAOYSA-N 1 0 379.302 2.872 20 0 GFADRO CN(CCOc1ccc(Br)cc1)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000568233859 564410393 /nfs/dbraw/zinc/41/03/93/564410393.db2.gz KQZRLQAIACZKDR-OFQRWUPVSA-N 1 0 396.329 2.857 20 0 GFADRO O=C(CCCOc1ccccc1Br)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000452378800 564411682 /nfs/dbraw/zinc/41/16/82/564411682.db2.gz XYHIXJYZVOCSMC-HNNXBMFYSA-N 1 0 399.329 2.571 20 0 GFADRO CN1C(=O)C[C@@H](C(=O)NCC[NH+]2CCCC2)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000478736849 564413945 /nfs/dbraw/zinc/41/39/45/564413945.db2.gz DCBDBGAPXGIENW-CXAGYDPISA-N 1 0 384.307 2.725 20 0 GFADRO CS(=O)(=O)N[C@@H]1CCCC[C@@H]1C[NH2+]Cc1ccc(Br)cc1F ZINC000512869419 564414944 /nfs/dbraw/zinc/41/49/44/564414944.db2.gz RQADKRJIJCZJKL-IUODEOHRSA-N 1 0 393.322 2.786 20 0 GFADRO CN(CCC[NH+]1CCCC1)C(=O)c1csc(I)c1 ZINC000545279749 564416135 /nfs/dbraw/zinc/41/61/35/564416135.db2.gz VTUAEZRECJQFHA-UHFFFAOYSA-N 1 0 378.279 2.911 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@]12CCC(=O)N1c1cc(Cl)ccc1S2 ZINC000512966549 564416946 /nfs/dbraw/zinc/41/69/46/564416946.db2.gz ISESOTKJOMKXJB-UGSOOPFHSA-N 1 0 379.913 2.869 20 0 GFADRO CC[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2ccc(OCC(F)(F)F)cc2)C1 ZINC000545318176 564416995 /nfs/dbraw/zinc/41/69/95/564416995.db2.gz SJCWCHITSGCZDA-ZDUSSCGKSA-N 1 0 380.432 2.638 20 0 GFADRO Fc1ccc(C[NH2+]C[C@@H](N2CCOCC2)C(F)(F)F)c(Br)c1 ZINC000513021921 564418050 /nfs/dbraw/zinc/41/80/50/564418050.db2.gz MCKVHVMQHUFBTC-CYBMUJFWSA-N 1 0 385.199 2.941 20 0 GFADRO C[C@H](C(F)(F)F)S(=O)(=O)N(C)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000545364757 564419453 /nfs/dbraw/zinc/41/94/53/564419453.db2.gz UFPUUFAKJSJKKI-CYBMUJFWSA-N 1 0 380.432 2.878 20 0 GFADRO Cc1ccc(C[NH2+]CCNS(=O)(=O)c2cc(C)ccc2Br)nc1 ZINC000513117746 564420760 /nfs/dbraw/zinc/42/07/60/564420760.db2.gz VIAPLDKHWJQVRH-UHFFFAOYSA-N 1 0 398.326 2.529 20 0 GFADRO C[C@@H](N[C@@H]1CC[N@@H+](C2CC2)C1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000479079508 564425387 /nfs/dbraw/zinc/42/53/87/564425387.db2.gz QIJLROYYKNELGW-NXEZZACHSA-N 1 0 378.325 2.528 20 0 GFADRO CCn1c(CNC(=O)NCC[C@@H]2CC[NH2+]C2)nc2cc(Br)ccc21 ZINC000568609733 564426879 /nfs/dbraw/zinc/42/68/79/564426879.db2.gz JSSNLRLXPMIUMY-LBPRGKRZSA-N 1 0 394.317 2.618 20 0 GFADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)S(=O)(=O)CC1CC1 ZINC000479178678 564429367 /nfs/dbraw/zinc/42/93/67/564429367.db2.gz GQBDCTJWNLYXSP-UHFFFAOYSA-N 1 0 375.332 2.553 20 0 GFADRO C[C@@H](CC[NH+](C)C)NC(=O)C1(c2ccc(Br)cc2)CCOCC1 ZINC000513475893 564430205 /nfs/dbraw/zinc/43/02/05/564430205.db2.gz MODYVUJDCFARBH-AWEZNQCLSA-N 1 0 383.330 2.954 20 0 GFADRO C[C@H](NC(=O)C(=O)N(C)Cc1ccc(Br)cc1)C(C)(C)C[NH+](C)C ZINC000513486962 564431132 /nfs/dbraw/zinc/43/11/32/564431132.db2.gz YHYMCSTVKOGXJI-ZDUSSCGKSA-N 1 0 398.345 2.500 20 0 GFADRO C[C@@H](NC(=O)C(=O)N(C)Cc1ccccc1Br)C(C)(C)C[NH+](C)C ZINC000513497648 564431307 /nfs/dbraw/zinc/43/13/07/564431307.db2.gz ADPJKWWHNPXXSL-CYBMUJFWSA-N 1 0 398.345 2.500 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S(=O)(=O)CC[NH2+]C[C@@H]1CCC[C@@H]1C ZINC000568742178 564432139 /nfs/dbraw/zinc/43/21/39/564432139.db2.gz MPYKBJLFJOONQG-HOTGVXAUSA-N 1 0 387.567 2.670 20 0 GFADRO C[C@@H](Cc1ccc(Br)cc1)[NH2+]CCCN1CCC[C@@H]1C(=O)N(C)C ZINC000479288624 564434403 /nfs/dbraw/zinc/43/44/03/564434403.db2.gz UJGFGBKHBFLPHQ-MAUKXSAKSA-N 1 0 396.373 2.912 20 0 GFADRO CCS(=O)(=O)N1CCC([C@H](C)[N@H+](C)Cc2cc(F)c(F)c(F)c2)CC1 ZINC000568799954 564435100 /nfs/dbraw/zinc/43/51/00/564435100.db2.gz JFPMRAMMCPIEMO-LBPRGKRZSA-N 1 0 378.460 2.986 20 0 GFADRO CC(=O)NCC[C@H]1CCC[N@H+](Cc2cn3ccc(Br)cc3n2)C1 ZINC000568819703 564436122 /nfs/dbraw/zinc/43/61/22/564436122.db2.gz YIKPEUBZGYSOKI-CQSZACIVSA-N 1 0 379.302 2.835 20 0 GFADRO C[NH+]1CCC(NC(=O)c2ccc3cc(I)ccc3n2)CC1 ZINC000479345322 564436370 /nfs/dbraw/zinc/43/63/70/564436370.db2.gz DYMDZLUPJMNJRM-UHFFFAOYSA-N 1 0 395.244 2.663 20 0 GFADRO CO[C@@H]1CCN(C(=O)NCc2cc(Cl)ccc2Br)[C@H](C[NH3+])C1 ZINC000568864098 564438320 /nfs/dbraw/zinc/43/83/20/564438320.db2.gz XAFOSYGVTZENAO-QWHCGFSZSA-N 1 0 390.709 2.750 20 0 GFADRO CC(C)[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)N1CC[N@H+](C)[C@@H](C(C)C)C1 ZINC000513765989 564438719 /nfs/dbraw/zinc/43/87/19/564438719.db2.gz MPHVXOQJLQVXEA-CZUORRHYSA-N 1 0 385.961 2.955 20 0 GFADRO COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000568865332 564439110 /nfs/dbraw/zinc/43/91/10/564439110.db2.gz GQVHDBMGRMZQEC-HIFRSBDPSA-N 1 0 390.933 2.564 20 0 GFADRO Cc1cc2[nH]c(C[NH2+]C[C@H](O)CS(=O)(=O)c3cccs3)cc2c(C)c1 ZINC000479464261 564441577 /nfs/dbraw/zinc/44/15/77/564441577.db2.gz HVUJICCQDLHNAR-HNNXBMFYSA-N 1 0 378.519 2.771 20 0 GFADRO CCO[C@H]1COCC[C@@H]1[NH2+]Cc1cc(Br)c2c(c1)OCCCO2 ZINC000546054289 564441897 /nfs/dbraw/zinc/44/18/97/564441897.db2.gz GTPNWXRFBWFEJE-HOCLYGCPSA-N 1 0 386.286 2.894 20 0 GFADRO CC(C)[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CC(=O)Nc3ccc(Br)cc32)C1 ZINC000568982583 564443228 /nfs/dbraw/zinc/44/32/28/564443228.db2.gz AVVMMZDNNWTLNK-IUODEOHRSA-N 1 0 394.313 2.721 20 0 GFADRO O=S1(=O)CC[C@H]([NH2+]CCN2CC=CCC2)c2cc(Br)ccc21 ZINC000479526066 564443377 /nfs/dbraw/zinc/44/33/77/564443377.db2.gz KSFNYHIJIZWKSI-HNNXBMFYSA-N 1 0 385.327 2.519 20 0 GFADRO O=C(CC[NH2+]C[C@@H](CO)Cc1ccccc1Br)Nc1cccnc1 ZINC000568984100 564443441 /nfs/dbraw/zinc/44/34/41/564443441.db2.gz PJKKVKOKCLVTMD-AWEZNQCLSA-N 1 0 392.297 2.614 20 0 GFADRO Cn1c2cc(Br)ccc2nc1CN1CCC[C@@H](n2ccnn2)C1 ZINC000568977935 564443594 /nfs/dbraw/zinc/44/35/94/564443594.db2.gz HMPNDALTJRPGLW-CYBMUJFWSA-N 1 0 375.274 2.764 20 0 GFADRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)c1ccc(Cl)c(NS(C)(=O)=O)c1 ZINC000479618214 564445376 /nfs/dbraw/zinc/44/53/76/564445376.db2.gz HWOLYHUNTMWFBD-GFCCVEGCSA-N 1 0 387.933 2.514 20 0 GFADRO CCS(=O)(=O)C[C@@H](C)[NH2+][C@@H](C)c1ccc(F)c(I)c1 ZINC000453140423 564447646 /nfs/dbraw/zinc/44/76/46/564447646.db2.gz KFIYKKSTZGNJFE-ZJUUUORDSA-N 1 0 399.269 2.904 20 0 GFADRO CCS(=O)(=O)C[C@H](C)[NH2+][C@@H](C)c1ccc(F)c(I)c1 ZINC000453140421 564447955 /nfs/dbraw/zinc/44/79/55/564447955.db2.gz KFIYKKSTZGNJFE-UWVGGRQHSA-N 1 0 399.269 2.904 20 0 GFADRO C[C@H](CNC(=O)C(=O)Nc1ccc(Br)cc1)[N@@H+]1CCCC[C@H]1C ZINC000514555316 564449450 /nfs/dbraw/zinc/44/94/50/564449450.db2.gz KRMOUZNLEDSDQI-CHWSQXEVSA-N 1 0 382.302 2.767 20 0 GFADRO C[C@@H]([NH2+]CC1([S@@](C)=O)CC1)c1ccc(F)c(I)c1 ZINC000453215580 564450142 /nfs/dbraw/zinc/45/01/42/564450142.db2.gz NYXWGXHKAGMCML-DYBLOJMWSA-N 1 0 381.254 2.992 20 0 GFADRO CC[NH+](CC)CCOCCNC(=O)N1CCc2cc(Br)ccc2C1 ZINC000479764292 564450246 /nfs/dbraw/zinc/45/02/46/564450246.db2.gz RRWVKKBLQWEBON-UHFFFAOYSA-N 1 0 398.345 2.875 20 0 GFADRO CC[C@@H](N[C@H](C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1)C(F)F ZINC000453246135 564450302 /nfs/dbraw/zinc/45/03/02/564450302.db2.gz MIZBGQYTIPJCQY-CZUORRHYSA-N 1 0 377.501 2.611 20 0 GFADRO C[C@@H]([NH2+]CCn1cc(Br)ccc1=O)c1ccc2c(c1)OCCO2 ZINC000453252957 564450528 /nfs/dbraw/zinc/45/05/28/564450528.db2.gz PETGJBBADHNNAP-GFCCVEGCSA-N 1 0 379.254 2.733 20 0 GFADRO COC[C@](C)(O)CC[NH2+][C@H](c1ccc(Br)cc1)c1cncnc1 ZINC000453248817 564451021 /nfs/dbraw/zinc/45/10/21/564451021.db2.gz FTTSEMQTUSMLJS-IAGOWNOFSA-N 1 0 380.286 2.706 20 0 GFADRO C[C@@H](CCCCO)[NH2+][C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000453278236 564451960 /nfs/dbraw/zinc/45/19/60/564451960.db2.gz CECHQBBLSKYUOM-SMDDNHRTSA-N 1 0 376.316 2.808 20 0 GFADRO C[C@]1(C(=O)NCc2cc(Br)ccc2Br)CC[NH2+]C1 ZINC000514668112 564453432 /nfs/dbraw/zinc/45/34/32/564453432.db2.gz UCQDOWKBVLZFJY-ZDUSSCGKSA-N 1 0 376.092 2.827 20 0 GFADRO Cc1c(Br)cccc1C[C@H](CO)C[NH2+][C@@H](C)Cc1cnccn1 ZINC000453371015 564455145 /nfs/dbraw/zinc/45/51/45/564455145.db2.gz NPERPKHRKHOBKV-ZFWWWQNUSA-N 1 0 378.314 2.919 20 0 GFADRO Cc1cc(Br)c(C[NH+]2CCC(C(=O)N3CCOCC3)CC2)s1 ZINC000453557094 564456867 /nfs/dbraw/zinc/45/68/67/564456867.db2.gz BEVXQLASZCZKQU-UHFFFAOYSA-N 1 0 387.343 2.890 20 0 GFADRO CCn1c(-c2cc(Br)c[nH]2)nnc1N(C)[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000453467927 564456955 /nfs/dbraw/zinc/45/69/55/564456955.db2.gz NRBIWDWNRDJRRZ-CYBMUJFWSA-N 1 0 381.322 2.975 20 0 GFADRO Cc1cc(Br)c(C[NH2+][C@@H]2CCCN(S(=O)(=O)C3CC3)C2)s1 ZINC000453592239 564459085 /nfs/dbraw/zinc/45/90/85/564459085.db2.gz HSBAYTLEGSBCIG-LLVKDONJSA-N 1 0 393.372 2.865 20 0 GFADRO O=C(COc1ccc(Br)cc1F)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000569359776 564459802 /nfs/dbraw/zinc/45/98/02/564459802.db2.gz OUXPJJGALUIZFS-CHWSQXEVSA-N 1 0 385.277 2.815 20 0 GFADRO C[C@@H]1CN(c2ncnc3cccc(I)c32)[C@@H](C)C[N@@H+]1C ZINC000546582400 564459880 /nfs/dbraw/zinc/45/98/80/564459880.db2.gz ZAEBIOAEPUXXRL-MNOVXSKESA-N 1 0 382.249 2.763 20 0 GFADRO Cc1cc(Br)cn2cc(CC[NH2+]C[C@H](O)COCC(C)C)nc12 ZINC000514856859 564460041 /nfs/dbraw/zinc/46/00/41/564460041.db2.gz GXTHOJOIFNESDQ-INIZCTEOSA-N 1 0 384.318 2.571 20 0 GFADRO COc1cc(C[NH2+][C@H](C)[C@@H]2CCOC2)cc(I)c1OC ZINC000546667374 564463663 /nfs/dbraw/zinc/46/36/63/564463663.db2.gz JDJUMLCKRHVENV-ZYHUDNBSSA-N 1 0 391.249 2.823 20 0 GFADRO CN(CC[NH+]1CCCC1)c1ncnc2cccc(I)c21 ZINC000546575163 564460577 /nfs/dbraw/zinc/46/05/77/564460577.db2.gz IKFDUGLXWCQKEK-UHFFFAOYSA-N 1 0 382.249 2.766 20 0 GFADRO O=C(N[C@@H](Cc1ccccn1)c1ccc(Br)cc1)N[C@H]1CC[NH2+]C1 ZINC000569381118 564460884 /nfs/dbraw/zinc/46/08/84/564460884.db2.gz UUAPEBQVUYBASM-IRXDYDNUSA-N 1 0 389.297 2.789 20 0 GFADRO CC[NH+]1CCC(CNC(=O)Nc2cccc(C(=O)NC)c2Br)CC1 ZINC000569373851 564461014 /nfs/dbraw/zinc/46/10/14/564461014.db2.gz KVSYUWMNJATXIE-UHFFFAOYSA-N 1 0 397.317 2.662 20 0 GFADRO O=C1[C@@H]([NH2+]C2CCN(CC(F)F)CC2)CCN1c1ccc(F)c(Cl)c1 ZINC000569404070 564461830 /nfs/dbraw/zinc/46/18/30/564461830.db2.gz BWBAHEAIEHBQHV-HNNXBMFYSA-N 1 0 375.822 2.904 20 0 GFADRO CO[C@@H](C[NH2+][C@@H]1CCS(=O)(=O)c2ccc(Br)cc21)C(C)C ZINC000480173520 564461978 /nfs/dbraw/zinc/46/19/78/564461978.db2.gz XDZGSGDFNQABKX-KGLIPLIRSA-N 1 0 376.316 2.928 20 0 GFADRO Ic1cnc(N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)nc1 ZINC000546622498 564462109 /nfs/dbraw/zinc/46/21/09/564462109.db2.gz NAVYGUZVLKUSKT-RISCZKNCSA-N 1 0 384.265 2.534 20 0 GFADRO CCC(CC)[C@H](CNC(=O)C(=O)Nc1cc(Br)cnc1C)[NH+](C)C ZINC000453646255 564462148 /nfs/dbraw/zinc/46/21/48/564462148.db2.gz PSUHYKBINKLEKN-HNNXBMFYSA-N 1 0 399.333 2.574 20 0 GFADRO CC(C)[C@@H](CCO)[NH2+][C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000480168340 564462600 /nfs/dbraw/zinc/46/26/00/564462600.db2.gz KOEHDTXLXANBKD-KGLIPLIRSA-N 1 0 376.316 2.664 20 0 GFADRO CSC1(CNC(=O)C(=O)Nc2cc(Cl)ccc2Cl)CC[NH+](C)CC1 ZINC000569414771 564462917 /nfs/dbraw/zinc/46/29/17/564462917.db2.gz KKDOXGGYUZEKNI-UHFFFAOYSA-N 1 0 390.336 2.876 20 0 GFADRO O[C@@H](C[NH2+]Cc1ccsc1Br)COc1ccc2c(c1)OCO2 ZINC000514932533 564463045 /nfs/dbraw/zinc/46/30/45/564463045.db2.gz KUMTWMNCISWMJG-NSHDSACASA-N 1 0 386.267 2.769 20 0 GFADRO CCN(CC[NH2+][C@@H]1CCS(=O)(=O)c2ccc(Br)cc21)C1CC1 ZINC000480218832 564464987 /nfs/dbraw/zinc/46/49/87/564464987.db2.gz DEXOJLSPINFDOS-OAHLLOKOSA-N 1 0 387.343 2.742 20 0 GFADRO C[C@H]([NH2+]C[C@H]1CC(=O)N(C2CC2)C1)c1ccccc1I ZINC000569462991 564465070 /nfs/dbraw/zinc/46/50/70/564465070.db2.gz CIGKWBYOIRRRFV-NWDGAFQWSA-N 1 0 384.261 2.953 20 0 GFADRO O[C@H](C[NH2+]C[C@@H](O)C1CCCCC1)COc1cc(F)cc(Br)c1 ZINC000515061400 564468116 /nfs/dbraw/zinc/46/81/16/564468116.db2.gz VPDPIWTZINEMFC-NVXWUHKLSA-N 1 0 390.293 2.859 20 0 GFADRO COCC1(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3Cl)C2)CC[NH2+]CC1 ZINC000569572534 564469262 /nfs/dbraw/zinc/46/92/62/564469262.db2.gz BQYKNTPKWKQWHW-AWEZNQCLSA-N 1 0 386.323 2.705 20 0 GFADRO Cc1ccc(Br)c(NC(=O)C(=O)N2CC[N@@H+](C3CC3)C[C@@H](C)C2)c1 ZINC000453766557 564470520 /nfs/dbraw/zinc/47/05/20/564470520.db2.gz HJLKYWAYYDWASG-CYBMUJFWSA-N 1 0 394.313 2.639 20 0 GFADRO Cn1ncc2c1nc(N)nc2N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000569591266 564470701 /nfs/dbraw/zinc/47/07/01/564470701.db2.gz ZJAYKZRQONIIHQ-ZDUSSCGKSA-N 1 0 379.251 2.830 20 0 GFADRO CSc1ccc(Cl)cc1NC(=O)C(=O)N1CC[N@@H+](C2CC2)C[C@@H](C)C1 ZINC000453772249 564470967 /nfs/dbraw/zinc/47/09/67/564470967.db2.gz WSJMAYOBAATYLG-GFCCVEGCSA-N 1 0 381.929 2.943 20 0 GFADRO Cn1ccnc1Sc1ncc(C(=O)N2CCCC[C@@H]2CC[NH3+])cc1Cl ZINC000569697561 564475082 /nfs/dbraw/zinc/47/50/82/564475082.db2.gz SQDOVPVXYJTYPP-CYBMUJFWSA-N 1 0 379.917 2.963 20 0 GFADRO CC[NH+](CC)CCN(C(=O)c1snnc1C)c1ccc(Br)cn1 ZINC000569815090 564479220 /nfs/dbraw/zinc/47/92/20/564479220.db2.gz OJWXAKFYVPPDBV-UHFFFAOYSA-N 1 0 398.330 2.993 20 0 GFADRO CC[NH+](CC)CCOCCNC(=O)Nc1cc(OC)ccc1Br ZINC000480647650 564480632 /nfs/dbraw/zinc/48/06/32/564480632.db2.gz AONKDRBPMKQYDW-UHFFFAOYSA-N 1 0 388.306 2.938 20 0 GFADRO CC1=CCN(CC[NH2+][C@H]2CCS(=O)(=O)c3ccc(Br)cc32)CC1 ZINC000480677068 564481412 /nfs/dbraw/zinc/48/14/12/564481412.db2.gz CTMWCWCOWRNAAM-INIZCTEOSA-N 1 0 399.354 2.909 20 0 GFADRO COc1ccc(S(=O)(=O)NCC[N@H+](C)C2CCCC2)c(Br)c1 ZINC000480670576 564481448 /nfs/dbraw/zinc/48/14/48/564481448.db2.gz QTLRBFHZJJUGOV-UHFFFAOYSA-N 1 0 391.331 2.610 20 0 GFADRO C[C@@H]([NH2+]C[C@H](C)C(F)(F)F)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000480666206 564481601 /nfs/dbraw/zinc/48/16/01/564481601.db2.gz YWLOEWDDFPTRDS-QWHCGFSZSA-N 1 0 380.432 2.557 20 0 GFADRO CC[NH+](CC)CCO[C@H]1CCN(S(=O)(=O)Cc2ccc(Cl)c(F)c2)C1 ZINC000480754717 564486821 /nfs/dbraw/zinc/48/68/21/564486821.db2.gz FDZVYWONBJPGOQ-HNNXBMFYSA-N 1 0 392.924 2.742 20 0 GFADRO COc1ccc(Br)c(CNC(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)c1 ZINC000515844703 564488402 /nfs/dbraw/zinc/48/84/02/564488402.db2.gz IPMSZCFRNHPHMP-JKSUJKDBSA-N 1 0 382.302 2.884 20 0 GFADRO O=S(=O)(Cc1ccc(Cl)cc1Br)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000515844041 564488819 /nfs/dbraw/zinc/48/88/19/564488819.db2.gz KWKUKCJMLBBEKL-IINYFYTJSA-N 1 0 393.734 2.616 20 0 GFADRO O=C(NCC1([NH+]2CCSCC2)CCCCC1)N[C@H](CO)c1ccsc1 ZINC000547450631 564489093 /nfs/dbraw/zinc/48/90/93/564489093.db2.gz BEUKKIPFCAXQIO-MRXNPFEDSA-N 1 0 383.583 2.832 20 0 GFADRO CC1(C)C[C@@H]([NH2+][C@H]2CCN(S(C)(=O)=O)C2)c2cc(Br)ccc21 ZINC000570050692 564489621 /nfs/dbraw/zinc/48/96/21/564489621.db2.gz KYUGWLMIZPUEIB-SWLSCSKDSA-N 1 0 387.343 2.795 20 0 GFADRO Cc1cc(NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C(C)C)C2)cc(C)c1Br ZINC000454082172 564496428 /nfs/dbraw/zinc/49/64/28/564496428.db2.gz CNCYIDLOOVJXAZ-OAHLLOKOSA-N 1 0 396.329 2.946 20 0 GFADRO C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1NC(=O)c1cnn(-c2cccc(Br)c2)c1 ZINC000570322073 564500988 /nfs/dbraw/zinc/50/09/88/564500988.db2.gz UEQBGZIASISRDP-BFQNTYOBSA-N 1 0 377.286 2.751 20 0 GFADRO Cc1cc(F)c(Br)cc1S(=O)(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000481068179 564502650 /nfs/dbraw/zinc/50/26/50/564502650.db2.gz HKLRLVSAHFAAKU-KBPBESRZSA-N 1 0 391.306 2.802 20 0 GFADRO CCN(CCCNC(=O)NCc1nn(C)cc1Br)c1ccccc1 ZINC000454224622 564503034 /nfs/dbraw/zinc/50/30/34/564503034.db2.gz YSPBPWKRUCRGBI-UHFFFAOYSA-N 1 0 394.317 2.898 20 0 GFADRO CC[NH+](CC)CCN(C(=O)c1c(C)cnn1C)c1ccc(Br)cn1 ZINC000570455456 564506149 /nfs/dbraw/zinc/50/61/49/564506149.db2.gz QHOVFPXMRSQVHY-UHFFFAOYSA-N 1 0 394.317 2.875 20 0 GFADRO Cc1nc(-c2ccc(CNC(=O)NC[C@@]3([NH+](C)C)CCSC3)o2)cs1 ZINC000481251467 564507699 /nfs/dbraw/zinc/50/76/99/564507699.db2.gz MOWFEZWXWKQGCB-KRWDZBQOSA-N 1 0 380.539 2.948 20 0 GFADRO FC(F)(F)c1cc(Br)ccc1C[NH2+][C@@H]1CCc2nnnn2CC1 ZINC000516641572 564508110 /nfs/dbraw/zinc/50/81/10/564508110.db2.gz MRMMSYIDILGJIY-LLVKDONJSA-N 1 0 390.207 2.949 20 0 GFADRO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)CNC(=O)c1ccc(Cl)cc1Cl ZINC000547749132 564509811 /nfs/dbraw/zinc/50/98/11/564509811.db2.gz WTQZPODMXBGEQE-OAHLLOKOSA-N 1 0 386.323 2.960 20 0 GFADRO C[NH+](C)[C@@]1(CNC(=O)NCc2sccc2Br)CCSC1 ZINC000481315126 564509921 /nfs/dbraw/zinc/50/99/21/564509921.db2.gz BZCRMDWLKXPINO-CYBMUJFWSA-N 1 0 378.361 2.747 20 0 GFADRO COCC[N@H+](C)C[C@@H](O)CN1CCC[C@H]1c1ccc(Br)s1 ZINC000570525226 564510565 /nfs/dbraw/zinc/51/05/65/564510565.db2.gz FYMTYLHEHARDGP-OLZOCXBDSA-N 1 0 377.348 2.587 20 0 GFADRO O=C(CC[N@@H+]1CC[C@@H](c2nnc[nH]2)C1)Nc1ccc(Br)cc1F ZINC000570565146 564511746 /nfs/dbraw/zinc/51/17/46/564511746.db2.gz ISIXLDVNYBUJTF-SNVBAGLBSA-N 1 0 382.237 2.524 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(C(=O)NCC3(c4ccccc4Br)CC3)C[C@@H]21 ZINC000454547316 564513492 /nfs/dbraw/zinc/51/34/92/564513492.db2.gz JTGHLGPGHRZLHL-CJNGLKHVSA-N 1 0 378.314 2.826 20 0 GFADRO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@@H](O)CCc1ccccc1 ZINC000516917491 564516072 /nfs/dbraw/zinc/51/60/72/564516072.db2.gz LSALSVWGRTYVHX-YOEHRIQHSA-N 1 0 379.298 2.583 20 0 GFADRO C[C@H](NC(=O)N[C@H]1CCN(c2ccccc2Br)C1)[C@@H]1CCC[NH2+]C1 ZINC000570665953 564516399 /nfs/dbraw/zinc/51/63/99/564516399.db2.gz NZMUGKFVXGIVLD-ZNMIVQPWSA-N 1 0 395.345 2.715 20 0 GFADRO C[N@H+](CCCCNC(=O)c1cc(=O)c2cc(Br)ccc2[nH]1)C1CC1 ZINC000570677268 564516972 /nfs/dbraw/zinc/51/69/72/564516972.db2.gz QASMFHGEGPCDJC-UHFFFAOYSA-N 1 0 392.297 2.895 20 0 GFADRO [NH3+][C@@H]1CCCC[C@H]1CC(=O)NCc1cc(Br)c2c(c1)OCCO2 ZINC000516924247 564517178 /nfs/dbraw/zinc/51/71/78/564517178.db2.gz IOMCJADMXRKKAR-GXTWGEPZSA-N 1 0 383.286 2.744 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)N1CCc2c(F)ccc(Br)c2C1 ZINC000454648423 564518102 /nfs/dbraw/zinc/51/81/02/564518102.db2.gz RXUNKBSJCGURST-LLVKDONJSA-N 1 0 382.277 2.893 20 0 GFADRO [NH3+]C[C@H]1CC[C@@H](C(=O)N2CCCC[C@H]2Cc2cccc(Br)c2)O1 ZINC000570716532 564518092 /nfs/dbraw/zinc/51/80/92/564518092.db2.gz KPRVXSQPNXPWAJ-BBWFWOEESA-N 1 0 381.314 2.879 20 0 GFADRO CC[C@H]([NH2+][C@@H](CO)CC(F)(F)F)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000481670135 564519144 /nfs/dbraw/zinc/51/91/44/564519144.db2.gz WEPADTUDLCVAHB-PWSUYJOCSA-N 1 0 388.839 2.602 20 0 GFADRO CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000481730554 564520978 /nfs/dbraw/zinc/52/09/78/564520978.db2.gz ANMQMLHKTCOHNK-YMTOWFKASA-N 1 0 386.265 2.863 20 0 GFADRO O=C(NCc1cc(Cl)cc(Cl)c1OC(F)F)NC[C@@H]1C[NH2+]CCCO1 ZINC000517019772 564521327 /nfs/dbraw/zinc/52/13/27/564521327.db2.gz MWBZYCIIKJMJAC-NSHDSACASA-N 1 0 398.237 2.773 20 0 GFADRO O=C(Nc1ccc2nccnc2c1Br)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000517018475 564521368 /nfs/dbraw/zinc/52/13/68/564521368.db2.gz USVYXIQQLSWWOR-LLVKDONJSA-N 1 0 376.258 2.751 20 0 GFADRO O=C(NCc1cc(Cl)cc(Cl)c1OC(F)F)NC[C@H]1C[NH2+]CCCO1 ZINC000517019771 564521487 /nfs/dbraw/zinc/52/14/87/564521487.db2.gz MWBZYCIIKJMJAC-LLVKDONJSA-N 1 0 398.237 2.773 20 0 GFADRO Cc1c(Br)cccc1CNC(=O)N(C)CCCN1CC[NH+](C)CC1 ZINC000570815044 564522475 /nfs/dbraw/zinc/52/24/75/564522475.db2.gz XPZVIAARWKECEG-UHFFFAOYSA-N 1 0 397.361 2.536 20 0 GFADRO CCS(=O)(=O)c1ccc(C[NH2+]C[C@H](O)COc2cc(C)cc(C)c2)s1 ZINC000570836638 564523479 /nfs/dbraw/zinc/52/34/79/564523479.db2.gz JQGUPQQKQKOHCU-HNNXBMFYSA-N 1 0 383.535 2.688 20 0 GFADRO CCO[C@H](C)c1nc(CN(C)C(=O)NC[C@]2([NH+](C)C)CCSC2)cs1 ZINC000481796567 564524018 /nfs/dbraw/zinc/52/40/18/564524018.db2.gz PAKHLGCFLSBRES-CXAGYDPISA-N 1 0 386.587 2.819 20 0 GFADRO Cc1ccc(NC(=O)C(=O)N2CC[NH+](C3CCCC3)CC2)c(Br)c1 ZINC000517115985 564524360 /nfs/dbraw/zinc/52/43/60/564524360.db2.gz CDRMYNJXUYRVTI-UHFFFAOYSA-N 1 0 394.313 2.783 20 0 GFADRO Cc1c([C@H]2OCC[C@@H]2[NH2+]CC(=O)Nc2ccccc2Br)cnn1C ZINC000548008730 564527614 /nfs/dbraw/zinc/52/76/14/564527614.db2.gz FBLSAHWIJLSQDG-DOTOQJQBSA-N 1 0 393.285 2.549 20 0 GFADRO C[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000517229849 564528163 /nfs/dbraw/zinc/52/81/63/564528163.db2.gz LUHSDTFXNKHQCQ-BXUZGUMPSA-N 1 0 382.295 2.870 20 0 GFADRO Cc1cc(Br)c(NC(=O)C(=O)N(C)CCC[NH+](C)C)cc1Cl ZINC000517221954 564528469 /nfs/dbraw/zinc/52/84/69/564528469.db2.gz SFFWOBVOAYVJDH-UHFFFAOYSA-N 1 0 390.709 2.760 20 0 GFADRO COCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](Cc2cccc(Br)c2OC)C1 ZINC000481997582 564531403 /nfs/dbraw/zinc/53/14/03/564531403.db2.gz IQVGDGLRMQLELU-DZGCQCFKSA-N 1 0 399.329 2.821 20 0 GFADRO C[C@@H](NC(=O)NCCCCC[NH+]1CCCC1)c1ncc(Br)cn1 ZINC000455003847 564531617 /nfs/dbraw/zinc/53/16/17/564531617.db2.gz UBDMHTNLWIAIMK-CYBMUJFWSA-N 1 0 384.322 2.865 20 0 GFADRO COC1CC[NH+](C(C)(C)CNC(=O)Cc2cccc(Br)c2)CC1 ZINC000517407388 564533073 /nfs/dbraw/zinc/53/30/73/564533073.db2.gz VZMGCIYJVMCSBQ-UHFFFAOYSA-N 1 0 383.330 2.997 20 0 GFADRO C[C@H](CCc1ccc(I)cc1)[NH2+]CC(=O)NCC(F)F ZINC000482077874 564533305 /nfs/dbraw/zinc/53/33/05/564533305.db2.gz FLDBJUFIVXNQSO-SNVBAGLBSA-N 1 0 396.219 2.583 20 0 GFADRO CC1CC[NH+](C[C@H](O)CNC(=O)NCCSc2ccc(Cl)cc2)CC1 ZINC000517572245 564536513 /nfs/dbraw/zinc/53/65/13/564536513.db2.gz HHCURPHZPZAHGK-MRXNPFEDSA-N 1 0 385.961 2.824 20 0 GFADRO C[C@@H](Cc1ccc(F)c(Br)c1)[NH2+]C1CCC2(CC1)NC(=O)NC2=O ZINC000517603947 564537724 /nfs/dbraw/zinc/53/77/24/564537724.db2.gz RDKXFNPWHKWQLP-JJMSQDNMSA-N 1 0 398.276 2.630 20 0 GFADRO O=C(NCCc1c[nH]c2cccc(Br)c12)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000571184428 564539725 /nfs/dbraw/zinc/53/97/25/564539725.db2.gz YUUMEPHKPZRQTA-TZMCWYRMSA-N 1 0 391.313 2.724 20 0 GFADRO O=C(C[NH2+]C1Cc2ccccc2C1)Nc1ccc(I)cc1 ZINC000571217175 564540720 /nfs/dbraw/zinc/54/07/20/564540720.db2.gz AJXQAMHPSGFWEH-UHFFFAOYSA-N 1 0 392.240 2.987 20 0 GFADRO O=C(NC[C@@H]1CCCC[N@H+]1CCO)Nc1c(F)cc(F)cc1Br ZINC000455224827 564543302 /nfs/dbraw/zinc/54/33/02/564543302.db2.gz QDULMZDNDCAMRZ-NSHDSACASA-N 1 0 392.244 2.696 20 0 GFADRO CCO[C@@H]1C[C@H]([NH2+]Cc2cc(Br)c3c(c2)OCCCO3)[C@@H]1OC ZINC000482536094 564544985 /nfs/dbraw/zinc/54/49/85/564544985.db2.gz PGAJCHZYFLPEMX-LXZKKBNFSA-N 1 0 386.286 2.892 20 0 GFADRO O=S(=O)(Cc1cc(Cl)ccc1Br)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000571283448 564545038 /nfs/dbraw/zinc/54/50/38/564545038.db2.gz KXXVEUISUCMAHV-ZDUSSCGKSA-N 1 0 393.734 2.759 20 0 GFADRO C[C@H](NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1cc(Br)ccc1F ZINC000482549092 564545561 /nfs/dbraw/zinc/54/55/61/564545561.db2.gz CQXOFMBEFSOWDT-QWHCGFSZSA-N 1 0 386.309 2.826 20 0 GFADRO COc1cc(Cl)c(Cl)cc1NC(=O)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000455256182 564546019 /nfs/dbraw/zinc/54/60/19/564546019.db2.gz GRNMBFZXMYRPFA-NSHDSACASA-N 1 0 376.284 2.970 20 0 GFADRO Cc1cc(S(=O)(=O)NC[C@@H](C)[NH+]2CCCC2)c(C)cc1Br ZINC000548370653 564549865 /nfs/dbraw/zinc/54/98/65/564549865.db2.gz IVZKCBGPZHZYBO-CYBMUJFWSA-N 1 0 375.332 2.829 20 0 GFADRO CCN(CC)c1nc2sc(C(=O)N3CC[C@H](OC)C[C@@H]3C[NH3+])cc2s1 ZINC000571449526 564551742 /nfs/dbraw/zinc/55/17/42/564551742.db2.gz UVDRYXNNWQJMHZ-NEPJUHHUSA-N 1 0 382.555 2.782 20 0 GFADRO O=C(c1cc2c(c(Br)c1)OCO2)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000571439473 564552080 /nfs/dbraw/zinc/55/20/80/564552080.db2.gz NVJAXCWMMFUXTA-NEPJUHHUSA-N 1 0 381.270 2.640 20 0 GFADRO COCCN(Cc1sccc1Br)C(=O)NC[C@H](C)[NH+](C)C ZINC000455428254 564553579 /nfs/dbraw/zinc/55/35/79/564553579.db2.gz HJMXUILSTQSZRJ-NSHDSACASA-N 1 0 378.336 2.619 20 0 GFADRO CN(C)c1cc[nH+]cc1C(=O)N(CCO)Cc1ccc(Br)s1 ZINC000483004543 564555962 /nfs/dbraw/zinc/55/59/62/564555962.db2.gz CVQPBXOPNVSKCX-UHFFFAOYSA-N 1 0 384.299 2.606 20 0 GFADRO C[N@@H+]1CCC[C@H](CNC(=O)c2cc(F)ccc2I)C1 ZINC000518659488 564559651 /nfs/dbraw/zinc/55/96/51/564559651.db2.gz OGBCUWYYEHHLQQ-SNVBAGLBSA-N 1 0 376.213 2.502 20 0 GFADRO CN(C)[C@]1(C[NH2+]C[C@@H](O)COc2c(Cl)cccc2Cl)CCSC1 ZINC000571634146 564560177 /nfs/dbraw/zinc/56/01/77/564560177.db2.gz JMKHTLFXBQABTE-WBMJQRKESA-N 1 0 379.353 2.760 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)CCC[N@@H+]1CC[C@](C)(C(N)=O)C1 ZINC000483270602 564562547 /nfs/dbraw/zinc/56/25/47/564562547.db2.gz LDSMXHMEHYVCOT-SFHVURJKSA-N 1 0 396.329 2.982 20 0 GFADRO CC1CC[NH+](CCN2CCNC(=O)[C@@H]2c2ccc(Br)cc2)CC1 ZINC000483269652 564562696 /nfs/dbraw/zinc/56/26/96/564562696.db2.gz IJHBPWRRZBUEFG-KRWDZBQOSA-N 1 0 380.330 2.654 20 0 GFADRO C[C@@]1(c2ccc(C[NH2+]Cc3cccc(Br)c3)cc2)NC(=O)NC1=O ZINC000518784584 564562946 /nfs/dbraw/zinc/56/29/46/564562946.db2.gz MWFYQSWYFCRIEJ-SFHVURJKSA-N 1 0 388.265 2.794 20 0 GFADRO O=C([C@H](c1ccc(Br)cc1)N1CCCC1)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000571797564 564567434 /nfs/dbraw/zinc/56/74/34/564567434.db2.gz XGLJQYUFKVOEIO-BQFCYCMXSA-N 1 0 392.341 2.654 20 0 GFADRO CC[NH+](CC)CCN(CC(C)C)c1ncc(I)cn1 ZINC000571822107 564568236 /nfs/dbraw/zinc/56/82/36/564568236.db2.gz HKSDRWIUKCARNU-UHFFFAOYSA-N 1 0 376.286 2.885 20 0 GFADRO CC[NH+](CC)CCN(CCOC)C(=O)c1ccc(Br)cc1OC ZINC000519223365 564572328 /nfs/dbraw/zinc/57/23/28/564572328.db2.gz YRPGNYYSPDJYEG-UHFFFAOYSA-N 1 0 387.318 2.888 20 0 GFADRO CN(CCNC(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1)CC(F)(F)F ZINC000483679903 564572956 /nfs/dbraw/zinc/57/29/56/564572956.db2.gz HRLLPWKRWQIIMN-ZDUSSCGKSA-N 1 0 378.464 2.678 20 0 GFADRO [NH3+]C1CCC(OCC(=O)Nc2cc(-c3ccc(Br)s3)[nH]n2)CC1 ZINC000571997275 564576299 /nfs/dbraw/zinc/57/62/99/564576299.db2.gz NTVNFGVEOJTUMY-UHFFFAOYSA-N 1 0 399.314 3.126 20 0 GFADRO O[C@@H](C[NH2+]CCn1cnc2ccccc21)COc1cccc(Br)c1 ZINC000548844893 564577744 /nfs/dbraw/zinc/57/77/44/564577744.db2.gz KQDARDXVEFDIEC-HNNXBMFYSA-N 1 0 390.281 2.828 20 0 GFADRO CN(C)c1cc(NC(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)ncc1Br ZINC000455868233 564578029 /nfs/dbraw/zinc/57/80/29/564578029.db2.gz QDEWVOMOELIMRY-RYUDHWBXSA-N 1 0 382.306 2.658 20 0 GFADRO CCC[N@H+](CC)C[C@H](C)NS(=O)(=O)c1ccc(C(=O)OC)c(Cl)c1 ZINC000572050192 564578831 /nfs/dbraw/zinc/57/88/31/564578831.db2.gz AQKOFGXXILUTHN-LBPRGKRZSA-N 1 0 376.906 2.525 20 0 GFADRO COc1ccc(NC(=O)N[C@@H](C)C[C@H](C)[NH3+])c(I)c1 ZINC000572038694 564579051 /nfs/dbraw/zinc/57/90/51/564579051.db2.gz NDVVZVWPFHSIBO-IUCAKERBSA-N 1 0 377.226 2.547 20 0 GFADRO CC(=O)N(c1nc(CN2CCO[C@@H](C[NH3+])C2)cs1)c1cccc(Cl)c1 ZINC000572038395 564579181 /nfs/dbraw/zinc/57/91/81/564579181.db2.gz GOUYHURSMPVMHL-INIZCTEOSA-N 1 0 380.901 2.641 20 0 GFADRO O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)Nc1nc(-c2ccc(Cl)cc2)cs1 ZINC000519537813 564580903 /nfs/dbraw/zinc/58/09/03/564580903.db2.gz HQKDUZMCWNXJHQ-ZDUSSCGKSA-N 1 0 378.885 2.660 20 0 GFADRO O=C(NCc1nnc2c(Cl)cc(C(F)(F)F)cn12)[C@@H]1CCCCC[NH2+]1 ZINC000572160460 564583875 /nfs/dbraw/zinc/58/38/75/564583875.db2.gz IXZIHSDSMYPLAQ-NSHDSACASA-N 1 0 375.782 2.550 20 0 GFADRO COC(=O)CC[N@@H+](Cc1cccc(Br)c1)C[C@@H](O)CSC ZINC000484310671 564585844 /nfs/dbraw/zinc/58/58/44/564585844.db2.gz QIIBQHXYBKVKJD-CQSZACIVSA-N 1 0 376.316 2.538 20 0 GFADRO CCN(CCC[NH+](C)C)C(=O)C(=O)Nc1cc2sc(C)nc2cc1Cl ZINC000484405999 564587617 /nfs/dbraw/zinc/58/76/17/564587617.db2.gz XISVUVGRYDZHCV-UHFFFAOYSA-N 1 0 382.917 2.997 20 0 GFADRO CCOCCOc1ccc(Br)cc1CN1CC[NH2+]C[C@](C)(F)C1 ZINC000572285958 564587721 /nfs/dbraw/zinc/58/77/21/564587721.db2.gz NASKZVABFGMBHH-KRWDZBQOSA-N 1 0 389.309 2.998 20 0 GFADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]Cc1ccc2c(c1)OCCO2 ZINC000572308012 564588698 /nfs/dbraw/zinc/58/86/98/564588698.db2.gz HUVFYCDDYPIXOC-GFCCVEGCSA-N 1 0 379.254 2.560 20 0 GFADRO C[C@@H](CNC(=O)N1CCC(CC[NH3+])CC1)Oc1ccccc1Br ZINC000519759968 564589841 /nfs/dbraw/zinc/58/98/41/564589841.db2.gz POYBBDDHWXTTBC-ZDUSSCGKSA-N 1 0 384.318 2.987 20 0 GFADRO C[C@H](CNC(=O)COC1CCC([NH3+])CC1)Oc1ccccc1Br ZINC000519776392 564590654 /nfs/dbraw/zinc/59/06/54/564590654.db2.gz SLPSIRFSQKCRSR-IYXRBSQSSA-N 1 0 385.302 2.619 20 0 GFADRO CC[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)[C@]23C[C@H]2CC[NH2+]3)CC1 ZINC000572367157 564591462 /nfs/dbraw/zinc/59/14/62/564591462.db2.gz NJUWQRNOLFFOJC-AYBZRNKSSA-N 1 0 392.341 2.796 20 0 GFADRO O=C(c1cc(Br)cc2ccccc21)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000572361558 564591672 /nfs/dbraw/zinc/59/16/72/564591672.db2.gz RJAGPTPVJYCOJU-INIZCTEOSA-N 1 0 388.309 2.722 20 0 GFADRO CS[C@H]1CN(CC(=O)N(CC(C)C)CC(F)(F)F)C[C@H]1[NH+]1CCCC1 ZINC000484621529 564592568 /nfs/dbraw/zinc/59/25/68/564592568.db2.gz OXJYNXZUEAUVGI-CABCVRRESA-N 1 0 381.508 2.545 20 0 GFADRO CS[C@H]1CN(CC(=O)NCCc2ccc(Cl)cc2)C[C@H]1[NH+]1CCCC1 ZINC000484643057 564593555 /nfs/dbraw/zinc/59/35/55/564593555.db2.gz KSUZDLXDPKHVQJ-MSOLQXFVSA-N 1 0 381.973 2.510 20 0 GFADRO COc1cc(F)cc(C[NH2+]C[C@H]2CCN(S(=O)(=O)c3cccs3)C2)c1 ZINC000572471553 564596112 /nfs/dbraw/zinc/59/61/12/564596112.db2.gz LPDSVJHXKPPDST-CYBMUJFWSA-N 1 0 384.498 2.696 20 0 GFADRO C[C@H](CC[NH+](C)C)NC(=O)C(=O)Nc1ccc(-c2ccc(Cl)s2)nc1 ZINC000549609323 564600553 /nfs/dbraw/zinc/60/05/53/564600553.db2.gz JNJZTNZVXWZTFF-LLVKDONJSA-N 1 0 380.901 2.858 20 0 GFADRO CC[C@H]1C[N@H+](CC)CCN1C(=O)[C@@H](C)NC(=O)c1ccc(Br)cc1 ZINC000456352474 564601584 /nfs/dbraw/zinc/60/15/84/564601584.db2.gz NFQAIPMAEMOKPE-CJNGLKHVSA-N 1 0 396.329 2.510 20 0 GFADRO C[C@@H](NS(=O)(=O)c1cccc2nsnc21)[C@H](c1ccccc1)[NH+](C)C ZINC000520328549 564601568 /nfs/dbraw/zinc/60/15/68/564601568.db2.gz GBELCEBEOIGTLE-SJKOYZFVSA-N 1 0 376.507 2.661 20 0 GFADRO OC[C@H]([NH2+]C[C@@H](O)Cc1ccc(F)cc1)c1ccc(Br)c(F)c1 ZINC000549717593 564603343 /nfs/dbraw/zinc/60/33/43/564603343.db2.gz CPKCVFQRJHNJPE-YOEHRIQHSA-N 1 0 386.236 2.954 20 0 GFADRO O[C@H](C[NH2+][C@H]1CCO[C@@H](C2CC2)C1)COc1cc(F)cc(Br)c1 ZINC000572632727 564603482 /nfs/dbraw/zinc/60/34/82/564603482.db2.gz PCTXZNHTDQDLSP-ZMSDIMECSA-N 1 0 388.277 2.875 20 0 GFADRO C[C@@H]1C[N@H+](C)CCN1c1ccc(Br)cc1NC(=O)[C@@H]1CCCN1C ZINC000456371796 564603652 /nfs/dbraw/zinc/60/36/52/564603652.db2.gz NEQJZTKYAAWSPC-DYVFJYSZSA-N 1 0 395.345 2.622 20 0 GFADRO CC(C)[N@H+](C)CCCNC(=O)[C@H]1CSCN1C(=O)c1ccc(Cl)cc1 ZINC000520516792 564606134 /nfs/dbraw/zinc/60/61/34/564606134.db2.gz SZYLTGISOOGINC-MRXNPFEDSA-N 1 0 383.945 2.702 20 0 GFADRO C[NH+](C)CCOC1CCN(C(=O)CCOc2cccc(Br)c2)CC1 ZINC000485120932 564607347 /nfs/dbraw/zinc/60/73/47/564607347.db2.gz ZACLKOZRMGEKCV-UHFFFAOYSA-N 1 0 399.329 2.787 20 0 GFADRO Cc1cc(Br)cc(S(=O)(=O)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)c1 ZINC000549903186 564607909 /nfs/dbraw/zinc/60/79/09/564607909.db2.gz DYWPSYGHQLBPPB-INIZCTEOSA-N 1 0 387.343 2.864 20 0 GFADRO [NH3+][C@H]1CCC[C@H](CNC(=O)c2ccc(F)cc2I)C1 ZINC000520567498 564608585 /nfs/dbraw/zinc/60/85/85/564608585.db2.gz JPRZRDRCSUCFMC-ONGXEEELSA-N 1 0 376.213 2.678 20 0 GFADRO CCC[N@H+](CC)CCNC(=O)C(=O)N(CC)Cc1cccc(Br)c1 ZINC000572752560 564608907 /nfs/dbraw/zinc/60/89/07/564608907.db2.gz XUPVIJOZRZDGPT-UHFFFAOYSA-N 1 0 398.345 2.646 20 0 GFADRO CC[N@@H+]1CC[C@@H](CNC(=O)c2cccc(F)c2I)C1 ZINC000520712646 564611316 /nfs/dbraw/zinc/61/13/16/564611316.db2.gz MCQHDPUSHKPNOO-JTQLQIEISA-N 1 0 376.213 2.502 20 0 GFADRO Cc1ccc(S(=O)(=O)NCC[NH2+][C@@H]2Cc3[nH]c4ccccc4c3C2)s1 ZINC000572823349 564611562 /nfs/dbraw/zinc/61/15/62/564611562.db2.gz BFKLNYHKEYWTDA-ZDUSSCGKSA-N 1 0 375.519 2.573 20 0 GFADRO O=C(Nc1nnc(SCc2c(Cl)cccc2Cl)s1)NC1C[NH2+]C1 ZINC000572850772 564612502 /nfs/dbraw/zinc/61/25/02/564612502.db2.gz DSLNVVVTLLKEAO-UHFFFAOYSA-N 1 0 390.321 3.231 20 0 GFADRO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCN(C(=O)c2c(Cl)cccc2Cl)CC1 ZINC000572837770 564612564 /nfs/dbraw/zinc/61/25/64/564612564.db2.gz BYDFHUNPUMFHHP-WFASDCNBSA-N 1 0 384.307 2.666 20 0 GFADRO O=S(=O)(c1ccc2ccccc2c1Br)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000572841823 564612588 /nfs/dbraw/zinc/61/25/88/564612588.db2.gz FEUDKQSIFGDOPC-ZIAGYGMSSA-N 1 0 395.322 2.832 20 0 GFADRO O[C@H](C[NH2+][C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1)C(F)(F)F ZINC000572870618 564614033 /nfs/dbraw/zinc/61/40/33/564614033.db2.gz XHGVZGUBNITWNL-WCBMZHEXSA-N 1 0 377.716 2.845 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)Cc1cscc1Br ZINC000485432383 564615638 /nfs/dbraw/zinc/61/56/38/564615638.db2.gz CCQDFUGITRDXHX-YUELXQCFSA-N 1 0 387.343 2.763 20 0 GFADRO CC[NH+](CC)CCN(CCOC)C(=O)Cc1ccc(F)cc1Br ZINC000485466737 564616532 /nfs/dbraw/zinc/61/65/32/564616532.db2.gz YMNISRXTCCDUSL-UHFFFAOYSA-N 1 0 389.309 2.948 20 0 GFADRO CC[C@@H](C)[NH+]1CCN(C(=O)c2c(C)nc3ccc(Br)cn32)CC1 ZINC000456526088 564616722 /nfs/dbraw/zinc/61/67/22/564616722.db2.gz HQMAKKSTKIHFMZ-GFCCVEGCSA-N 1 0 379.302 2.962 20 0 GFADRO CC[N@@H+]1CC[C@H]2OCCN(Cc3cc(OC)c(OC)cc3Br)[C@H]2C1 ZINC000550229275 564617976 /nfs/dbraw/zinc/61/79/76/564617976.db2.gz FISFHHKHAVOVBA-JKSUJKDBSA-N 1 0 399.329 2.761 20 0 GFADRO CC(C)[NH+](CCNC(=O)C(=O)NCCSc1ccc(Cl)cc1)C(C)C ZINC000550347853 564621424 /nfs/dbraw/zinc/62/14/24/564621424.db2.gz CYQFOKJNXUSEMS-UHFFFAOYSA-N 1 0 385.961 2.783 20 0 GFADRO O=C(CCCC(=O)c1ccc(Br)cc1)NCCNc1cc[nH+]cc1 ZINC000485659025 564622175 /nfs/dbraw/zinc/62/21/75/564622175.db2.gz WPZMCBYEULSSQS-UHFFFAOYSA-N 1 0 390.281 2.847 20 0 GFADRO COCCO[C@@H]1COCC[C@H]1[NH2+][C@@H](C)Cc1ccc(Br)c(F)c1 ZINC000485690758 564622542 /nfs/dbraw/zinc/62/25/42/564622542.db2.gz BNLZSVADJOODRN-JCURWCKSSA-N 1 0 390.293 2.929 20 0 GFADRO [NH3+]CC[C@H]1CCCCN1S(=O)(=O)c1cc(Br)ccc1Cl ZINC000573089317 564622603 /nfs/dbraw/zinc/62/26/03/564622603.db2.gz BZLUAARWJVJRGO-LLVKDONJSA-N 1 0 381.723 2.995 20 0 GFADRO COCCO[C@@H]1COCC[C@@H]1[NH2+][C@@H](C)Cc1ccc(Br)c(F)c1 ZINC000485690754 564623023 /nfs/dbraw/zinc/62/30/23/564623023.db2.gz BNLZSVADJOODRN-AFAVFJNCSA-N 1 0 390.293 2.929 20 0 GFADRO CC(C)[C@H]([NH2+]Cc1cc(=O)n2cc(Br)ccc2n1)C1(CO)CCC1 ZINC000550453422 564625019 /nfs/dbraw/zinc/62/50/19/564625019.db2.gz WGWRURVFIIBRHJ-KRWDZBQOSA-N 1 0 394.313 2.734 20 0 GFADRO O=C(NCC1(c2cccc(Br)c2)CC1)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000485777561 564625631 /nfs/dbraw/zinc/62/56/31/564625631.db2.gz AESFXNFUZSJRSC-GFCCVEGCSA-N 1 0 389.297 2.711 20 0 GFADRO C[C@H](CNC(=O)c1ccccc1-n1cc(Br)cn1)[NH+]1CCCC1 ZINC000573174546 564626249 /nfs/dbraw/zinc/62/62/49/564626249.db2.gz OGQATTHHMHXADV-CYBMUJFWSA-N 1 0 377.286 2.849 20 0 GFADRO COCCN(Cc1cc(Br)cs1)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC000521459424 564627233 /nfs/dbraw/zinc/62/72/33/564627233.db2.gz WLODPMIGUMYMBI-GFCCVEGCSA-N 1 0 375.332 2.827 20 0 GFADRO CCn1c2cc(Br)ccc2nc1NC(=O)C[C@@H]1CSCC[NH2+]1 ZINC000573204466 564628396 /nfs/dbraw/zinc/62/83/96/564628396.db2.gz WTIHDROBWCCZON-LLVKDONJSA-N 1 0 383.315 2.852 20 0 GFADRO O[C@@H](C[NH2+][C@@H]1COc2ccccc2C1)COc1ccccc1Br ZINC000550700569 564628824 /nfs/dbraw/zinc/62/88/24/564628824.db2.gz XDNGGPMUPXLUBV-GJZGRUSLSA-N 1 0 378.266 2.782 20 0 GFADRO O=C(NCCc1c[nH]c2cccc(Br)c12)NCC1CC[NH2+]CC1 ZINC000573224790 564629356 /nfs/dbraw/zinc/62/93/56/564629356.db2.gz VHIZTVWZROWHSH-UHFFFAOYSA-N 1 0 379.302 2.772 20 0 GFADRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)NCc2c(Cl)cccc2Cl)C1 ZINC000550730078 564629565 /nfs/dbraw/zinc/62/95/65/564629565.db2.gz XXNZJAMWHHCJSU-BLLLJJGKSA-N 1 0 384.307 2.552 20 0 GFADRO O[C@@H](COc1c(Cl)cccc1Cl)CN1CCO[C@H](COCC2CC2)C1 ZINC000485878811 564629663 /nfs/dbraw/zinc/62/96/63/564629663.db2.gz COZYQPOGGAHJFI-CABCVRRESA-N 1 0 390.307 2.861 20 0 GFADRO C[C@@H]1C[C@H](N(C)C(=O)[C@H]2CC(=O)Nc3ccc(Br)cc32)CC[N@@H+]1C ZINC000485932253 564631939 /nfs/dbraw/zinc/63/19/39/564631939.db2.gz YJFCDYKVRCKKMU-KYOSRNDESA-N 1 0 394.313 2.816 20 0 GFADRO CS(=O)(=O)N[C@H]1CCCC[C@H]1[NH2+]Cc1cc(Br)cc(F)c1F ZINC000573328464 564633934 /nfs/dbraw/zinc/63/39/34/564633934.db2.gz NNPFGWKRBPCEBW-OLZOCXBDSA-N 1 0 397.285 2.677 20 0 GFADRO CCC[C@H](C)[C@@H](CO)[NH2+]CC(=O)Nc1cccc(I)c1 ZINC000573328688 564634064 /nfs/dbraw/zinc/63/40/64/564634064.db2.gz VBBFOBMGZRUPQJ-SMDDNHRTSA-N 1 0 390.265 2.616 20 0 GFADRO CN(Cc1ccccc1Br)C(=O)CN1CC[C@H]([NH+]2CCCCC2)C1 ZINC000521696668 564634842 /nfs/dbraw/zinc/63/48/42/564634842.db2.gz BXHKTBHZFYIPCH-KRWDZBQOSA-N 1 0 394.357 2.968 20 0 GFADRO COc1ccc(Cl)cc1S(=O)(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000486088261 564638295 /nfs/dbraw/zinc/63/82/95/564638295.db2.gz ONRDOXWCOLGYTO-CZUORRHYSA-N 1 0 384.929 2.986 20 0 GFADRO COc1ccc(Cl)cc1S(=O)(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000486088262 564638491 /nfs/dbraw/zinc/63/84/91/564638491.db2.gz ONRDOXWCOLGYTO-XJKSGUPXSA-N 1 0 384.929 2.986 20 0 GFADRO C[C@H](NC(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1cccc(Cl)c1Cl ZINC000551139634 564639051 /nfs/dbraw/zinc/63/90/51/564639051.db2.gz FDLWHJCLQBMKQV-CQDKDKBSSA-N 1 0 384.307 2.914 20 0 GFADRO O=C(NC[C@@H]1C[NH2+]CCCO1)Nc1ccc(Br)c(C(F)(F)F)c1 ZINC000573460782 564639295 /nfs/dbraw/zinc/63/92/95/564639295.db2.gz ZKJJCDXOTDHSME-JTQLQIEISA-N 1 0 396.207 2.968 20 0 GFADRO C[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(I)cc2F)C1 ZINC000521969916 564640819 /nfs/dbraw/zinc/64/08/19/564640819.db2.gz IOHNRYZOQUXCJS-JTQLQIEISA-N 1 0 376.213 2.502 20 0 GFADRO CN(C)CC[N@H+](C)CCCNS(=O)(=O)c1cc2cc(Cl)ccc2s1 ZINC000573520721 564641349 /nfs/dbraw/zinc/64/13/49/564641349.db2.gz YOIIZWXJJJSIKZ-UHFFFAOYSA-N 1 0 389.974 2.717 20 0 GFADRO C[C@H]1CN(CCC[NH2+]Cc2cccc(I)c2)C[C@H](C)O1 ZINC000551219934 564642647 /nfs/dbraw/zinc/64/26/47/564642647.db2.gz BBJPEEHZFHKLSB-KBPBESRZSA-N 1 0 388.293 2.880 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N[C@H]2CCC[N@H+](C)[C@@H]2C)cc1Br ZINC000486225982 564644562 /nfs/dbraw/zinc/64/45/62/564644562.db2.gz MJCNKSBOXCQWAJ-OCCSQVGLSA-N 1 0 382.302 2.603 20 0 GFADRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)c2csc(I)c2)C1 ZINC000457127152 564648512 /nfs/dbraw/zinc/64/85/12/564648512.db2.gz RFJLAGFMKWGTNU-LLVKDONJSA-N 1 0 378.279 2.907 20 0 GFADRO C[NH+](C)CCOC1CCN(C(=O)NCc2ccccc2Br)CC1 ZINC000522308591 564650165 /nfs/dbraw/zinc/65/01/65/564650165.db2.gz YBXKWDSUTGPECO-UHFFFAOYSA-N 1 0 384.318 2.701 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1Br ZINC000486389345 564650444 /nfs/dbraw/zinc/65/04/44/564650444.db2.gz PXAHXUWSOJPAHN-STQMWFEESA-N 1 0 382.302 2.603 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1Br ZINC000486384869 564650847 /nfs/dbraw/zinc/65/08/47/564650847.db2.gz YUCQCAOKMQNORL-ZBFHGGJFSA-N 1 0 394.313 2.747 20 0 GFADRO C[NH+](C)CC(C)(C)NC(=O)c1cc(I)c(F)cc1F ZINC000457208806 564652241 /nfs/dbraw/zinc/65/22/41/564652241.db2.gz OJDYEAOISZFRCP-UHFFFAOYSA-N 1 0 382.192 2.639 20 0 GFADRO CCn1cc(Br)cc1C(=O)NCc1ccncc1OCC[NH+](C)C ZINC000573760717 564652185 /nfs/dbraw/zinc/65/21/85/564652185.db2.gz GHVKHILIWRIXOX-UHFFFAOYSA-N 1 0 395.301 2.536 20 0 GFADRO CC(C)NS(=O)(=O)NCC[NH2+][C@@H](C)c1ccc(OC(C)C)c(Cl)c1 ZINC000551517346 564653701 /nfs/dbraw/zinc/65/37/01/564653701.db2.gz KPWSAKMMFCZKBH-ZDUSSCGKSA-N 1 0 377.938 2.610 20 0 GFADRO O=C(CN1CSCC1=O)Nc1ccc(SCC[NH+]2CCCCC2)cc1 ZINC000573805566 564654970 /nfs/dbraw/zinc/65/49/70/564654970.db2.gz ZSDAZPBECUOFJE-UHFFFAOYSA-N 1 0 379.551 2.736 20 0 GFADRO O=C(NC[C@H]1C[NH2+]CCCO1)Nc1ncc(Cc2ccccc2Cl)s1 ZINC000573813059 564655100 /nfs/dbraw/zinc/65/51/00/564655100.db2.gz XSDVORJBPNUKRH-CYBMUJFWSA-N 1 0 380.901 2.887 20 0 GFADRO O=S(=O)(NC[C@@H]1CCC[NH2+]C1)c1ccc2ccccc2c1Br ZINC000573843863 564656157 /nfs/dbraw/zinc/65/61/57/564656157.db2.gz BCJVXJSQTPVWPP-GFCCVEGCSA-N 1 0 383.311 2.880 20 0 GFADRO C[NH+]1CCN(Cc2ccc(CNC(=O)c3cc(Br)co3)cc2)CC1 ZINC000457438636 564661342 /nfs/dbraw/zinc/66/13/42/564661342.db2.gz AQMGDBSNCXHTKX-UHFFFAOYSA-N 1 0 392.297 2.720 20 0 GFADRO C[C@@H](NC(=O)N[C@H]1CCC[N@H+](CCCO)C1)c1ccccc1Br ZINC000457447855 564661876 /nfs/dbraw/zinc/66/18/76/564661876.db2.gz DUQICDVDXBONKA-KGLIPLIRSA-N 1 0 384.318 2.656 20 0 GFADRO C[C@H](NC(=O)NC[C@H]1CCC[N@@H+]1CCCO)c1ccccc1Br ZINC000457457236 564662393 /nfs/dbraw/zinc/66/23/93/564662393.db2.gz LHRTWTYNPFJIFN-UONOGXRCSA-N 1 0 384.318 2.656 20 0 GFADRO C[N@@H+]1CC[C@H]2CCN(S(=O)(=O)c3cc(Br)ccc3Cl)[C@@H]2C1 ZINC000486697248 564662931 /nfs/dbraw/zinc/66/29/31/564662931.db2.gz NQGZAZSYQBMIBD-GXFFZTMASA-N 1 0 393.734 2.817 20 0 GFADRO Cc1nc(-c2cc([C@@H](C)[NH2+]CC3(O)CCS(=O)(=O)CC3)cs2)cs1 ZINC000551811521 564664289 /nfs/dbraw/zinc/66/42/89/564664289.db2.gz DRBRTUFNJKYGHI-LLVKDONJSA-N 1 0 386.564 2.770 20 0 GFADRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)c2cc(Br)co2)CC1 ZINC000457519325 564664359 /nfs/dbraw/zinc/66/43/59/564664359.db2.gz YPFVRWWDFTWIJV-KBPBESRZSA-N 1 0 384.318 2.673 20 0 GFADRO C[C@@H](NC(=O)N[C@@H](C[NH+](C)C)c1ccccc1)c1ncc(Br)cn1 ZINC000457526677 564664468 /nfs/dbraw/zinc/66/44/68/564664468.db2.gz KEYJWNHEYJRCOR-DOMZBBRYSA-N 1 0 392.301 2.902 20 0 GFADRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1ccn(-c2ccc(Br)cc2)n1 ZINC000551823527 564665484 /nfs/dbraw/zinc/66/54/84/564665484.db2.gz JNGKMNPEIIYDHS-PXAZEXFGSA-N 1 0 389.297 2.847 20 0 GFADRO Cc1cc(Br)c(C(=O)NCCCC[N@@H+]2CCC[C@H]2CO)s1 ZINC000457665395 564668558 /nfs/dbraw/zinc/66/85/58/564668558.db2.gz KRHAYVYWEQYXJV-LBPRGKRZSA-N 1 0 375.332 2.786 20 0 GFADRO CCC[C@@H](CCO)C[NH2+]CCS(=O)(=O)c1cccc(Br)c1 ZINC000574400782 564672777 /nfs/dbraw/zinc/67/27/77/564672777.db2.gz XQCZGTBRSSVBCN-ZDUSSCGKSA-N 1 0 378.332 2.611 20 0 GFADRO O=C(NCC[N@H+]1CC=CCC1)c1ccn(-c2ccc(Br)cc2)n1 ZINC000552110749 564677124 /nfs/dbraw/zinc/67/71/24/564677124.db2.gz QBNSTGTXJZZOER-UHFFFAOYSA-N 1 0 375.270 2.627 20 0 GFADRO COc1ccc(Br)c(CNC(=O)NCC[C@H]2CCC[N@H+](C)C2)c1 ZINC000457886312 564677384 /nfs/dbraw/zinc/67/73/84/564677384.db2.gz PMNDVXQNFFTBEH-CYBMUJFWSA-N 1 0 384.318 2.989 20 0 GFADRO CN(Cc1c(F)cccc1Cl)S(=O)(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000487142575 564677402 /nfs/dbraw/zinc/67/74/02/564677402.db2.gz YORORFJVBNUYNR-STQMWFEESA-N 1 0 377.913 2.618 20 0 GFADRO Cc1cccc(C(=O)N2[C@@H]3CC[C@H]2CC[N@@H+](C)C3)c1I ZINC000552144677 564679480 /nfs/dbraw/zinc/67/94/80/564679480.db2.gz RSJFNLUCRNVOHV-QWHCGFSZSA-N 1 0 384.261 2.908 20 0 GFADRO CC(C)N(Cc1ccc(Br)cc1)C(=O)C(=O)N[C@@H](C)CC[NH+](C)C ZINC000552190920 564680971 /nfs/dbraw/zinc/68/09/71/564680971.db2.gz LXYVNNRVDYCRSD-AWEZNQCLSA-N 1 0 398.345 2.643 20 0 GFADRO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N[C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O ZINC000487294831 564681580 /nfs/dbraw/zinc/68/15/80/564681580.db2.gz CBDFFUOTCANLLJ-UXIGCNINSA-N 1 0 384.307 2.803 20 0 GFADRO Cn1cc(Br)c(C(=O)N2CCC(CCC[NH+]3CCCC3)CC2)n1 ZINC000487322776 564682754 /nfs/dbraw/zinc/68/27/54/564682754.db2.gz MQNZNYAISLFYJW-UHFFFAOYSA-N 1 0 383.334 2.911 20 0 GFADRO C[C@H](Cc1cccc(Br)c1)NC(=O)NC[C@@H]1CCCC[N@@H+]1CCO ZINC000457993774 564683342 /nfs/dbraw/zinc/68/33/42/564683342.db2.gz LKEUOJRWVILCJF-PBHICJAKSA-N 1 0 398.345 2.526 20 0 GFADRO [NH3+]Cc1cn([C@H]2CCCN(C(=O)Nc3ccc(Br)cc3F)C2)nn1 ZINC000574663228 564683658 /nfs/dbraw/zinc/68/36/58/564683658.db2.gz MYJKACWOUUZARC-LBPRGKRZSA-N 1 0 397.252 2.507 20 0 GFADRO C[C@@H]1C[C@H](N(C)C(=O)c2cc(=O)c3cc(Br)ccc3[nH]2)CC[N@@H+]1C ZINC000524655143 564684695 /nfs/dbraw/zinc/68/46/95/564684695.db2.gz XQSMJBHOAPVROF-DGCLKSJQSA-N 1 0 392.297 2.845 20 0 GFADRO C[C@@H]1CCN(C(=O)CCNc2ncc(C(F)(F)F)cc2Cl)C[C@H]1C[NH3+] ZINC000574690695 564684774 /nfs/dbraw/zinc/68/47/74/564684774.db2.gz KDGFSWKKFKCYMI-GHMZBOCLSA-N 1 0 378.826 2.999 20 0 GFADRO O=C(CN(Cc1cccs1)CC(F)(F)F)NC1CC[NH+](C2CC2)CC1 ZINC000574709892 564685660 /nfs/dbraw/zinc/68/56/60/564685660.db2.gz PICKVKYWHFUXMR-UHFFFAOYSA-N 1 0 375.460 2.855 20 0 GFADRO O=C(NCCc1ccc(F)c(Br)c1)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000574699246 564685672 /nfs/dbraw/zinc/68/56/72/564685672.db2.gz ZATMZTOHPGQYDP-XJKSGUPXSA-N 1 0 384.293 2.818 20 0 GFADRO CC[C@@H]([NH2+]CCNS(=O)(=O)c1cccc(Cl)c1Cl)c1cnn(C)c1 ZINC000552321346 564686518 /nfs/dbraw/zinc/68/65/18/564686518.db2.gz OISFHXFVFOGBPU-CYBMUJFWSA-N 1 0 391.324 2.746 20 0 GFADRO COc1cc(C)c(Br)cc1C(=O)N1C[C@@H](SC)[C@H]([NH+](C)C)C1 ZINC000552397944 564689620 /nfs/dbraw/zinc/68/96/20/564689620.db2.gz RPWXVCFEBFKPOV-UKRRQHHQSA-N 1 0 387.343 2.884 20 0 GFADRO CS(=O)(=O)[C@H]1CCC[C@@H]([NH2+]CCc2cnc(SC3CCCC3)nc2)C1 ZINC000552406788 564689704 /nfs/dbraw/zinc/68/97/04/564689704.db2.gz OZWMYHDKECRGOY-WBVHZDCISA-N 1 0 383.583 2.999 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)c2cc3cc(Br)ccc3[nH]2)CC12CCOCC2 ZINC000574998285 564690908 /nfs/dbraw/zinc/69/09/08/564690908.db2.gz SAJQPPCFHDQXPD-CYBMUJFWSA-N 1 0 392.297 2.758 20 0 GFADRO C[N@@H+]1CCCC[C@@H]1CCC(=O)NCc1cn2cc(Br)ccc2n1 ZINC000487563124 564691063 /nfs/dbraw/zinc/69/10/63/564691063.db2.gz GJEQZTUGXOQTBA-OAHLLOKOSA-N 1 0 379.302 2.978 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C(=O)NCCC[NH2+]C1CC1 ZINC000575047166 564691897 /nfs/dbraw/zinc/69/18/97/564691897.db2.gz GPSMYWHPYCODGX-UHFFFAOYSA-N 1 0 377.286 2.815 20 0 GFADRO O[C@@H](C[NH2+]Cc1cc(F)cc(Br)c1)COc1ccc2c(c1)OCO2 ZINC000552494129 564693195 /nfs/dbraw/zinc/69/31/95/564693195.db2.gz XKVLOXQGJYWENO-AWEZNQCLSA-N 1 0 398.228 2.846 20 0 GFADRO COc1cc(Br)c(C(=O)NCC[C@H]2CCC[N@H+](C)C2)cc1OC ZINC000458204986 564693564 /nfs/dbraw/zinc/69/35/64/564693564.db2.gz KRDSZAKDLODTOP-GFCCVEGCSA-N 1 0 385.302 2.928 20 0 GFADRO C[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000552524134 564694785 /nfs/dbraw/zinc/69/47/85/564694785.db2.gz ZFWZIMBVRBBQRM-TYNCELHUSA-N 1 0 386.323 2.640 20 0 GFADRO CC(C)N(CC[NH+](C)C)C(=O)C(=O)N[C@H](C)Cc1ccc(Cl)cc1Cl ZINC000552524099 564695001 /nfs/dbraw/zinc/69/50/01/564695001.db2.gz YJWXZVLRYQQXNN-CYBMUJFWSA-N 1 0 388.339 2.839 20 0 GFADRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NCc1cn(-c2ccccc2Br)nn1 ZINC000552561924 564695579 /nfs/dbraw/zinc/69/55/79/564695579.db2.gz IPPXHCHQDUNDDE-LRDDRELGSA-N 1 0 376.302 2.602 20 0 GFADRO C[NH+](C)CC(C)(C)NC(=O)N[C@H]1CCN(c2ccccc2Br)C1 ZINC000458366651 564699970 /nfs/dbraw/zinc/69/99/70/564699970.db2.gz LMGOXUFXJCFBTA-ZDUSSCGKSA-N 1 0 383.334 2.667 20 0 GFADRO O=C(NC[C@@H]1CCC[N@H+]1CCCO)N[C@@H]1COc2c1ccc(Cl)c2Cl ZINC000458471257 564703523 /nfs/dbraw/zinc/70/35/23/564703523.db2.gz SKMXZEOATLZOCB-SMDDNHRTSA-N 1 0 388.295 2.573 20 0 GFADRO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)c1c(F)cccc1I ZINC000576028398 564704855 /nfs/dbraw/zinc/70/48/55/564704855.db2.gz SXEOGGNOKQTWIZ-SKDRFNHKSA-N 1 0 376.213 2.678 20 0 GFADRO CC[C@H](C(=O)NCCCNC(=O)c1cccc(Br)c1)[NH+](CC)CC ZINC000525691914 564705275 /nfs/dbraw/zinc/70/52/75/564705275.db2.gz KHZRYLZFEYASCV-MRXNPFEDSA-N 1 0 398.345 2.806 20 0 GFADRO C[C@@H]1CC[N@H+](CC(=O)N2CCO[C@H](c3ccc(F)c(Br)c3)C2)C1 ZINC000576052042 564705703 /nfs/dbraw/zinc/70/57/03/564705703.db2.gz ZIKBFIYHNUBPBH-WBMJQRKESA-N 1 0 385.277 2.830 20 0 GFADRO C[NH+](C)CCn1ccc(C(=O)NCc2cccc(Br)c2Cl)n1 ZINC000576051585 564705838 /nfs/dbraw/zinc/70/58/38/564705838.db2.gz MIVDRWVVCRSDGP-UHFFFAOYSA-N 1 0 385.693 2.791 20 0 GFADRO C[C@@H]([NH2+]C[C@@H](c1ccc(Cl)cc1)N(C)C)c1ccc(S(N)(=O)=O)cc1 ZINC000553098200 564709499 /nfs/dbraw/zinc/70/94/99/564709499.db2.gz NULCRGNRMIQDSW-ACJLOTCBSA-N 1 0 381.929 2.941 20 0 GFADRO O=C(Nc1cc(Cl)c(Cl)cc1Cl)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000576251994 564709862 /nfs/dbraw/zinc/70/98/62/564709862.db2.gz CGIUPINBGSROLU-HNNXBMFYSA-N 1 0 376.671 2.797 20 0 GFADRO CO[C@H]1CCN(C(=O)NCc2cn3cc(Br)cc(C)c3n2)C[C@@H]1C ZINC000458641350 564709937 /nfs/dbraw/zinc/70/99/37/564709937.db2.gz CGRGLMAMRVPEOJ-WFASDCNBSA-N 1 0 395.301 2.972 20 0 GFADRO C[C@@H](CNC(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1)c1c(Cl)cccc1Cl ZINC000553207175 564712182 /nfs/dbraw/zinc/71/21/82/564712182.db2.gz WLKQPRMXQVPJGI-STQMWFEESA-N 1 0 386.323 2.766 20 0 GFADRO C[C@H](NC(=O)NC[C@@H]1CCCC[N@@H+]1CCO)c1ccc(Br)s1 ZINC000458697100 564712547 /nfs/dbraw/zinc/71/25/47/564712547.db2.gz UJKFWJSSWMGWPB-RYUDHWBXSA-N 1 0 390.347 2.718 20 0 GFADRO C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCc1ccc(I)c(Cl)c1 ZINC000488558628 564714424 /nfs/dbraw/zinc/71/44/24/564714424.db2.gz HGKSRPMVZWYMNG-GXSJLCMTSA-N 1 0 392.668 2.759 20 0 GFADRO CC[NH+](CC)C[C@H](C)NC(=O)N[C@H](CO)c1ccc(Br)c(F)c1 ZINC000488568479 564714445 /nfs/dbraw/zinc/71/44/45/564714445.db2.gz BBENCWSORCDCIW-XHDPSFHLSA-N 1 0 390.297 2.651 20 0 GFADRO C[NH+](C)CC(C)(C)NC(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000458719235 564714410 /nfs/dbraw/zinc/71/44/10/564714410.db2.gz MDYAHUOUYNFSFL-CQSZACIVSA-N 1 0 383.334 2.667 20 0 GFADRO Cc1cc(C[N@@H+]2CCC[C@@H]2C[C@]2(C)NC(=O)NC2=O)sc1Br ZINC000576505328 564714648 /nfs/dbraw/zinc/71/46/48/564714648.db2.gz ILTOGONISMKDMI-BMIGLBTASA-N 1 0 386.315 2.772 20 0 GFADRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)NCCCCn3cc(Br)cn3)C2)C1 ZINC000458748018 564716898 /nfs/dbraw/zinc/71/68/98/564716898.db2.gz RNMYUEDYQVIEJT-QGZVFWFLSA-N 1 0 398.349 2.553 20 0 GFADRO CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CC(=O)Nc2ccc(Br)cc21 ZINC000553347695 564717576 /nfs/dbraw/zinc/71/75/76/564717576.db2.gz BOACPVZFQCUNOP-ZFWWWQNUSA-N 1 0 394.313 2.866 20 0 GFADRO Cc1cc(NC(=O)CC[NH2+]CCc2c[nH]c3cccc(Br)c23)no1 ZINC000576746375 564717883 /nfs/dbraw/zinc/71/78/83/564717883.db2.gz HAGWLWQWNQAKPW-UHFFFAOYSA-N 1 0 391.269 3.388 20 0 GFADRO CO[C@H]1CCN(C(=O)c2cc(Cl)cc(Br)c2F)[C@@H](C[NH3+])C1 ZINC000576815891 564719491 /nfs/dbraw/zinc/71/94/91/564719491.db2.gz YVHINQCRTJEQJI-ZJUUUORDSA-N 1 0 379.657 2.820 20 0 GFADRO [NH3+][C@@H]1CCc2ncc(NC(=O)COc3ccc(Br)cc3)cc2C1 ZINC000576815853 564719716 /nfs/dbraw/zinc/71/97/16/564719716.db2.gz UQAIZDNOSCALEP-CYBMUJFWSA-N 1 0 376.254 2.678 20 0 GFADRO C[C@@H](NC(=O)N1CCC([NH+]2CCCC2)CC1)c1ncc(Br)cn1 ZINC000458832958 564719986 /nfs/dbraw/zinc/71/99/86/564719986.db2.gz INDBYVAPLYSDOC-GFCCVEGCSA-N 1 0 382.306 2.570 20 0 GFADRO CC1(C)[C@H]([NH2+]Cc2cn(-c3ccccc3Br)nn2)[C@H]2CCO[C@H]21 ZINC000553439139 564720696 /nfs/dbraw/zinc/72/06/96/564720696.db2.gz OWCQZJMCUASYOY-DAXOMENPSA-N 1 0 377.286 2.933 20 0 GFADRO C[NH+](C)C[C@H](CNC(=O)Cn1cc(Br)cn1)c1ccc(Cl)cc1 ZINC000576999596 564722558 /nfs/dbraw/zinc/72/25/58/564722558.db2.gz YXNRHKFBIVYHEQ-ZDUSSCGKSA-N 1 0 399.720 2.761 20 0 GFADRO Cc1nc(C(=O)N2CCC(OCCC[NH+](C)C)CC2)c(Br)s1 ZINC000553497337 564723321 /nfs/dbraw/zinc/72/33/21/564723321.db2.gz BYASVMYSDMFDKV-UHFFFAOYSA-N 1 0 390.347 2.787 20 0 GFADRO CC[C@@H](C)[NH+]1CCN(C(=O)NCc2nc(C)c(Br)s2)CC1 ZINC000458930254 564723926 /nfs/dbraw/zinc/72/39/26/564723926.db2.gz OXFHKJFBTNUNIB-SNVBAGLBSA-N 1 0 375.336 2.840 20 0 GFADRO Cc1nc(CNC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)sc1Br ZINC000458935212 564724965 /nfs/dbraw/zinc/72/49/65/564724965.db2.gz VJEBZJWRNFMQGZ-LBPRGKRZSA-N 1 0 387.347 2.841 20 0 GFADRO Cc1[nH]c2ccc(Br)cc2c1CC(=O)NCC[NH+]1CCSCC1 ZINC000488972507 564725194 /nfs/dbraw/zinc/72/51/94/564725194.db2.gz JPYMCMVKCFLQPZ-UHFFFAOYSA-N 1 0 396.354 2.946 20 0 GFADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)NCC1=CCOCC1 ZINC000458947023 564725686 /nfs/dbraw/zinc/72/56/86/564725686.db2.gz SAWBFEXQPRYBDA-UHFFFAOYSA-N 1 0 396.329 2.869 20 0 GFADRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1S(=O)(=O)Cc1ccccc1Br ZINC000553558381 564726866 /nfs/dbraw/zinc/72/68/66/564726866.db2.gz WVFOGGNNHBOOAJ-BBRMVZONSA-N 1 0 387.343 2.838 20 0 GFADRO C[C@@H]([NH2+]CCCCn1ccnc1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000527034221 564727338 /nfs/dbraw/zinc/72/73/38/564727338.db2.gz KGONHJBAEHUBQT-LLVKDONJSA-N 1 0 391.324 2.968 20 0 GFADRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]CC(=O)Nc3ccccc3Br)[C@@H]2C1 ZINC000577244638 564730914 /nfs/dbraw/zinc/73/09/14/564730914.db2.gz ZNQMFWQXYJVDRY-LZWOXQAQSA-N 1 0 394.313 2.624 20 0 GFADRO OC[C@@H]([NH2+]C[C@H](O)COc1cc(F)cc(Br)c1)C1CCCCC1 ZINC000527136011 564731404 /nfs/dbraw/zinc/73/14/04/564731404.db2.gz OYZYXYWWPBCQJJ-DOTOQJQBSA-N 1 0 390.293 2.859 20 0 GFADRO O=C(c1ccccc1-n1cc(Br)cn1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000577260783 564731953 /nfs/dbraw/zinc/73/19/53/564731953.db2.gz VMXHWVYBLDUHIH-OAHLLOKOSA-N 1 0 389.297 2.945 20 0 GFADRO COCC[N@@H+]1CC[C@H](NC(=O)NC2(Cc3ccccc3Br)CC2)C1 ZINC000489201186 564732184 /nfs/dbraw/zinc/73/21/84/564732184.db2.gz CODAHBBVYZAHAG-HNNXBMFYSA-N 1 0 396.329 2.544 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)[C@H]1CCN(CC(F)(F)F)C1)c1ccc(Cl)cc1 ZINC000527166836 564732514 /nfs/dbraw/zinc/73/25/14/564732514.db2.gz NWERZMBFJPICLX-DZGCQCFKSA-N 1 0 377.838 2.943 20 0 GFADRO CCCC[N@H+](C)C[C@H](C)NS(=O)(=O)c1ccc(C(=O)OC)cc1Cl ZINC000577319329 564734750 /nfs/dbraw/zinc/73/47/50/564734750.db2.gz MWAHMQIWOPEYIY-LBPRGKRZSA-N 1 0 376.906 2.525 20 0 GFADRO Cc1cc(C)c(C(=O)NC[C@@H]2CCC[N@@H+](C)C2)cc1I ZINC000527245428 564735510 /nfs/dbraw/zinc/73/55/10/564735510.db2.gz BTUINQIELCNFTM-ZDUSSCGKSA-N 1 0 386.277 2.980 20 0 GFADRO C[N@@H+]1CC[C@]2(CCN(C(=O)C3(c4cccc(Br)c4)CC(=O)C3)C2)C1 ZINC000553794927 564736904 /nfs/dbraw/zinc/73/69/04/564736904.db2.gz XZXRTTVRXWUHRY-SFHVURJKSA-N 1 0 391.309 2.604 20 0 GFADRO CCOCC[N@H+](CC)[C@H](C)C(=O)Nc1ccc(I)cc1 ZINC000489424886 564740132 /nfs/dbraw/zinc/74/01/32/564740132.db2.gz QMLJFLGKPQLMNV-GFCCVEGCSA-N 1 0 390.265 2.977 20 0 GFADRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(S(=O)(=O)N(C)C(C)C)cc2)[C@H]1SC ZINC000459401895 564742813 /nfs/dbraw/zinc/74/28/13/564742813.db2.gz YSIHISCSZLRSJN-KZNAEPCWSA-N 1 0 386.583 2.714 20 0 GFADRO C[C@H](O)C[N@@H+]1CCN(Cc2nc(-c3ccc(Br)cc3)c[nH]2)[C@@H](C)C1 ZINC000578345638 564743479 /nfs/dbraw/zinc/74/34/79/564743479.db2.gz UDSKALJNFXRWNO-KBPBESRZSA-N 1 0 393.329 2.726 20 0 GFADRO C[C@H](CO)[N@H+](C[C@H](O)COc1cc(F)cc(Br)c1)C1CCCC1 ZINC000553918730 564745119 /nfs/dbraw/zinc/74/51/19/564745119.db2.gz ZZLODFHZGUIXHF-WBMJQRKESA-N 1 0 390.293 2.953 20 0 GFADRO Cc1cc(CN2C(=O)N[C@@]3(CCCC[C@@H]3C[NH3+])C2=O)ccc1Br ZINC000579349435 564747298 /nfs/dbraw/zinc/74/72/98/564747298.db2.gz KIFIKDWGGFAQRJ-CXAGYDPISA-N 1 0 380.286 2.697 20 0 GFADRO COC[C@H]([NH2+]C[C@H]1CCN(S(=O)(=O)c2cccs2)C1)c1ccccc1 ZINC000554094898 564750455 /nfs/dbraw/zinc/75/04/55/564750455.db2.gz LQIITRYAVOTLJI-WBVHZDCISA-N 1 0 380.535 2.736 20 0 GFADRO COCc1cc(C[NH2+]C[C@@H](CO)Cc2cc(Br)ccc2OC)no1 ZINC000459561021 564750563 /nfs/dbraw/zinc/75/05/63/564750563.db2.gz BGVAZWOKRLPNRI-LBPRGKRZSA-N 1 0 399.285 2.533 20 0 GFADRO CCOc1cc(C[N@H+](C)[C@H](CO)COC(C)C)cc(Br)c1O ZINC000459549595 564750681 /nfs/dbraw/zinc/75/06/81/564750681.db2.gz FAMHSQXTIOZWAZ-CYBMUJFWSA-N 1 0 376.291 2.771 20 0 GFADRO COc1ccc(C[C@H](CO)C[NH2+]C2CCN(C3CC3)CC2)cc1Br ZINC000459565084 564751408 /nfs/dbraw/zinc/75/14/08/564751408.db2.gz FUOCFDQWHSSPFT-HNNXBMFYSA-N 1 0 397.357 2.825 20 0 GFADRO O=c1cccc2n1C[C@H]1C[C@@H]2C[N@H+](Cc2cccc(O)c2Br)C1 ZINC000459578729 564751593 /nfs/dbraw/zinc/75/15/93/564751593.db2.gz YOXRLKXRIAXVME-GXTWGEPZSA-N 1 0 375.266 2.936 20 0 GFADRO COc1ccc(Br)cc1CN(C)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000579816276 564752174 /nfs/dbraw/zinc/75/21/74/564752174.db2.gz LSXDJGOYWJRLCY-DVOMOZLQSA-N 1 0 396.329 2.987 20 0 GFADRO O=C([C@@H]1CC[N@@H+](C[C@@H](O)COc2c(Cl)cccc2Cl)C1)N1CCCC1 ZINC000554284496 564755823 /nfs/dbraw/zinc/75/58/23/564755823.db2.gz ROWLJXQNVVYTTI-ZIAGYGMSSA-N 1 0 387.307 2.677 20 0 GFADRO Brc1ccc(-c2cnc(CN3CCN([C@H]4CC[NH2+]C4)CC3)o2)cc1 ZINC000489929960 564757519 /nfs/dbraw/zinc/75/75/19/564757519.db2.gz CRWNZSUIMXOIHZ-INIZCTEOSA-N 1 0 391.313 2.584 20 0 GFADRO COC(=O)c1cc(Br)cc(C(=O)NCc2cnccc2OC)c1 ZINC000554369270 564758950 /nfs/dbraw/zinc/75/89/50/564758950.db2.gz BLMRNWGHLHRKPL-UHFFFAOYSA-N 1 0 379.210 2.569 20 0 GFADRO COc1ccc([C@@H](CO)C[NH2+]Cc2cn3ccc(Br)cc3n2)cc1 ZINC000459750439 564759723 /nfs/dbraw/zinc/75/97/23/564759723.db2.gz PRVXUJIYOUXAFR-CQSZACIVSA-N 1 0 390.281 2.971 20 0 GFADRO Cc1cc(Br)cc(C[NH2+]C[C@@H](O)[C@@H]2CCCO2)c1OC(F)F ZINC000527757192 564759768 /nfs/dbraw/zinc/75/97/68/564759768.db2.gz IOPFKACKYULROW-OLZOCXBDSA-N 1 0 380.229 2.988 20 0 GFADRO CC(=O)Nc1ccc(C[NH2+]C[C@H](O)COc2cc(Cl)ccc2Cl)cn1 ZINC000580641100 564767809 /nfs/dbraw/zinc/76/78/09/564767809.db2.gz KAYHFELYFFDIKN-AWEZNQCLSA-N 1 0 384.263 2.876 20 0 GFADRO CC(=O)Nc1ccc(C[NH2+]C[C@@H](O)COc2cc(Cl)ccc2Cl)cn1 ZINC000580641101 564767893 /nfs/dbraw/zinc/76/78/93/564767893.db2.gz KAYHFELYFFDIKN-CQSZACIVSA-N 1 0 384.263 2.876 20 0 GFADRO O=S(=O)(Cc1cc(Cl)ccc1Br)N[C@H]1CC[NH2+]C12CCC2 ZINC000528046835 564768229 /nfs/dbraw/zinc/76/82/29/564768229.db2.gz AUUISSSECJWBRN-ZDUSSCGKSA-N 1 0 393.734 2.807 20 0 GFADRO O=C(N[C@@H]1C[NH2+]C[C@H]1c1ccccc1)c1cc2c(c(Br)c1)OCO2 ZINC000580768399 564772845 /nfs/dbraw/zinc/77/28/45/564772845.db2.gz ZSCVDRHPOOBXSN-DZGCQCFKSA-N 1 0 389.249 2.663 20 0 GFADRO C[C@H](NS(=O)(=O)c1ccc(C[NH+](C)C)cc1)[C@H]1OCCc2sccc21 ZINC000490502512 564774084 /nfs/dbraw/zinc/77/40/84/564774084.db2.gz YWWRRBCHFAGXHH-SCLBCKFNSA-N 1 0 380.535 2.791 20 0 GFADRO COC(=O)c1ccc(Br)cc1CN1CC[NH+](CCOC(C)C)CC1 ZINC000554820725 564774521 /nfs/dbraw/zinc/77/45/21/564774521.db2.gz UQICPRPYBXYLLE-UHFFFAOYSA-N 1 0 399.329 2.778 20 0 GFADRO CS[C@H]1CN(Cc2csc(N(C(C)=O)C3CC3)n2)C[C@@H]1[NH+]1CCCC1 ZINC000460359068 564775220 /nfs/dbraw/zinc/77/52/20/564775220.db2.gz ZCPZBEWQYPNFHG-IRXDYDNUSA-N 1 0 380.583 2.670 20 0 GFADRO O=C([C@@H]1COc2ccc(Br)cc21)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000580891189 564778088 /nfs/dbraw/zinc/77/80/88/564778088.db2.gz XASDYCFKOSXPIB-DVOMOZLQSA-N 1 0 379.298 2.773 20 0 GFADRO O=C([C@@H]1COc2ccc(Br)cc21)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000580891196 564778172 /nfs/dbraw/zinc/77/81/72/564778172.db2.gz XASDYCFKOSXPIB-XJKCOSOUSA-N 1 0 379.298 2.773 20 0 GFADRO Cc1cnn([C@@H]2CC[N@H+](C[C@H](O)COc3cc(F)cc(Br)c3)C2)c1 ZINC000554958611 564779179 /nfs/dbraw/zinc/77/91/79/564779179.db2.gz PGAKVKIRMLVSQQ-CVEARBPZSA-N 1 0 398.276 2.780 20 0 GFADRO CN(C)S(=O)(=O)c1ccc(C[NH2+][C@H](c2cccs2)C(C)(C)CO)cc1 ZINC000554952599 564779396 /nfs/dbraw/zinc/77/93/96/564779396.db2.gz SOQRYLGBJMFDPI-QGZVFWFLSA-N 1 0 382.551 2.848 20 0 GFADRO O=C1C[C@@H]([C@@H]2CCCC[N@H+]2Cc2cn3ccc(Br)cc3n2)CN1 ZINC000555092483 564782852 /nfs/dbraw/zinc/78/28/52/564782852.db2.gz QWNQXJBGWFRWBV-DOMZBBRYSA-N 1 0 377.286 2.587 20 0 GFADRO CC(C)[N@@H+](C)C[C@H](C)NC(=O)[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000555115528 564783624 /nfs/dbraw/zinc/78/36/24/564783624.db2.gz QWNUEZYXQUNQSV-XJKSGUPXSA-N 1 0 396.329 2.647 20 0 GFADRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)Nc1ccc(I)cc1F ZINC000581081504 564786711 /nfs/dbraw/zinc/78/67/11/564786711.db2.gz AYURRCOSTNEOHM-DTWKUNHWSA-N 1 0 377.201 2.631 20 0 GFADRO O=C(CCNc1ncc(C(F)(F)F)cc1Cl)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000460969818 564786779 /nfs/dbraw/zinc/78/67/79/564786779.db2.gz AHUVRFCFHDMKBQ-NSHDSACASA-N 1 0 376.810 2.909 20 0 GFADRO C[C@H](NC(=O)c1cccs1)C(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000555230242 564787250 /nfs/dbraw/zinc/78/72/50/564787250.db2.gz XOCCSIQHFUAGCH-WFASDCNBSA-N 1 0 379.913 2.939 20 0 GFADRO O=C(CCNc1ncc(C(F)(F)F)cc1Cl)NCC[NH+]1CCSCC1 ZINC000460997703 564787424 /nfs/dbraw/zinc/78/74/24/564787424.db2.gz DYKFWACJSCFTFI-UHFFFAOYSA-N 1 0 396.866 2.721 20 0 GFADRO Nc1nc(-n2cccn2)cc(N2CC[C@@H](Cc3ccc(Br)cc3)C2)[nH+]1 ZINC000581109034 564788666 /nfs/dbraw/zinc/78/86/66/564788666.db2.gz GRSPNDNAKQWKRW-AWEZNQCLSA-N 1 0 399.296 2.906 20 0 GFADRO FC(F)Oc1ccc(CN2CCN([C@@H]3CC[NH2+]C3)CC2)cc1Br ZINC000491182456 564788696 /nfs/dbraw/zinc/78/86/96/564788696.db2.gz KMPAZPOXMCVTCJ-CYBMUJFWSA-N 1 0 390.272 2.530 20 0 GFADRO C[C@@H](CCO)CC[NH2+]C[C@H](O)COc1ccc(Cl)cc1Br ZINC000581131497 564789259 /nfs/dbraw/zinc/78/92/59/564789259.db2.gz JOEVOPNAXRMRAH-YPMHNXCESA-N 1 0 380.710 2.840 20 0 GFADRO C[NH+](C)C[C@@H](NC(=O)C(=O)Nc1ccc(Cl)cn1)c1ccc(Cl)cc1 ZINC000555325093 564789559 /nfs/dbraw/zinc/78/95/59/564789559.db2.gz GYFLMOILMWPZHM-CQSZACIVSA-N 1 0 381.263 2.746 20 0 GFADRO C[C@H](Oc1cccc(Br)c1)C(=O)N(CC[NH+](C)C)C[C@H]1CCCO1 ZINC000461116926 564790811 /nfs/dbraw/zinc/79/08/11/564790811.db2.gz ZDRXRXWPFZGFBF-WMLDXEAASA-N 1 0 399.329 2.786 20 0 GFADRO O=C(CCOc1cccc(Cl)c1Cl)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000461188930 564791062 /nfs/dbraw/zinc/79/10/62/564791062.db2.gz HGTAYEKUUCLUNO-CQSZACIVSA-N 1 0 387.307 2.943 20 0 GFADRO C[C@](O)(C[NH2+]CCc1ccc(I)s1)C(F)(F)F ZINC000581246111 564794020 /nfs/dbraw/zinc/79/40/20/564794020.db2.gz ILFXOFBMMQHTFP-VIFPVBQESA-N 1 0 379.185 2.798 20 0 GFADRO CC[C@H](C(=O)N[C@@H](C(=O)OC)c1ccc(Br)cc1)[NH+](CC)CC ZINC000461340899 564794585 /nfs/dbraw/zinc/79/45/85/564794585.db2.gz OECCXVKASNNGBI-HUUCEWRRSA-N 1 0 385.302 2.900 20 0 GFADRO C[C@H]([NH3+])C1CCN(c2ncnc3ccc(I)cc32)CC1 ZINC000581301056 564796866 /nfs/dbraw/zinc/79/68/66/564796866.db2.gz VBPGVAAZIBHJBO-JTQLQIEISA-N 1 0 382.249 2.798 20 0 GFADRO OC[C@@H]1CCC2(CCOCC2)C[N@@H+]1Cc1cc2c(cc1Br)OCO2 ZINC000528639734 564797722 /nfs/dbraw/zinc/79/77/22/564797722.db2.gz LTXJYSNTSCLJBS-AWEZNQCLSA-N 1 0 398.297 2.931 20 0 GFADRO O=C(C[NH2+]C[C@@H]1CCCO1)N1CCC(c2ccccc2Br)CC1 ZINC000581364853 564799198 /nfs/dbraw/zinc/79/91/98/564799198.db2.gz NIGOLBJSUFYDMJ-HNNXBMFYSA-N 1 0 381.314 2.924 20 0 GFADRO CC(C)[C@@H]1C[NH2+]CCN1C(=O)Nc1ccc(F)cc1I ZINC000528682861 564799683 /nfs/dbraw/zinc/79/96/83/564799683.db2.gz ZNTCIOGZQREWNC-ZDUSSCGKSA-N 1 0 391.228 2.892 20 0 GFADRO CO[C@H]1C[C@H]2C[C@H]([NH2+]CCNS(=O)(=O)c3ccc(F)cc3Cl)C[C@H]2C1 ZINC000581423870 564801689 /nfs/dbraw/zinc/80/16/89/564801689.db2.gz QUYLTJQGJPYCJN-AIXYUVMFSA-N 1 0 390.908 2.551 20 0 GFADRO O=S1(=O)CCC(C[NH2+]C2(Cc3ccc(F)cc3Cl)CCOCC2)CC1 ZINC000555696377 564802382 /nfs/dbraw/zinc/80/23/82/564802382.db2.gz AUTVSGLWWZLTFJ-UHFFFAOYSA-N 1 0 389.920 2.985 20 0 GFADRO CC1([NH+]2CCOCC2)CCN(C[C@H](O)c2ccccc2Br)CC1 ZINC000528728076 564802838 /nfs/dbraw/zinc/80/28/38/564802838.db2.gz LFHOHKDPACLOAK-KRWDZBQOSA-N 1 0 383.330 2.669 20 0 GFADRO COc1cc(Br)cc(S(=O)(=O)N[C@H]2C[C@H](C)n3ccnc32)c1 ZINC000581470187 564803764 /nfs/dbraw/zinc/80/37/64/564803764.db2.gz OQXUVRIWRJEWIZ-ZANVPECISA-N 1 0 386.271 2.639 20 0 GFADRO O=C(CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[S@@]2=O)Nc1cccc(Br)c1 ZINC000528784989 564805080 /nfs/dbraw/zinc/80/50/80/564805080.db2.gz QJAGMMXGXLDAPV-ZCCHDVMBSA-N 1 0 385.327 2.763 20 0 GFADRO O=C(c1cc(O)cc(Br)c1)N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000528827253 564807298 /nfs/dbraw/zinc/80/72/98/564807298.db2.gz PPAFBZWPDFNOGH-KRWDZBQOSA-N 1 0 397.313 2.872 20 0 GFADRO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)C[NH2+][C@@H]1CCC[C@]1(C)CO ZINC000493408903 564807592 /nfs/dbraw/zinc/80/75/92/564807592.db2.gz FDGYTPIWGDCQGH-CXAGYDPISA-N 1 0 389.279 2.859 20 0 GFADRO C[NH+](C)C1(CNS(=O)(=O)Cc2cccc(Br)c2)CCCC1 ZINC000555948036 564809489 /nfs/dbraw/zinc/80/94/89/564809489.db2.gz PKZHHNMTEDPNDP-UHFFFAOYSA-N 1 0 375.332 2.743 20 0 GFADRO CC[NH+](CC)CCS(=O)(=O)NCCc1nc(-c2ccccc2)c(C)s1 ZINC000555947593 564809756 /nfs/dbraw/zinc/80/97/56/564809756.db2.gz SVVWTFJFUOAAOT-UHFFFAOYSA-N 1 0 381.567 2.922 20 0 GFADRO COC[C@@]1(CNC(=O)CCC(=O)c2cc(Cl)sc2Cl)CCC[NH2+]1 ZINC000581606834 564810303 /nfs/dbraw/zinc/81/03/03/564810303.db2.gz MBHJYGWMLLITFN-HNNXBMFYSA-N 1 0 379.309 2.903 20 0 GFADRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NS(=O)(=O)c1cccc(Cl)c1Br ZINC000493850979 564810471 /nfs/dbraw/zinc/81/04/71/564810471.db2.gz WKGJJUBKNCPGCW-SKDRFNHKSA-N 1 0 393.734 2.864 20 0 GFADRO C[NH+](C)C1(CNC(=O)CCn2cc(Br)ccc2=O)CCCCCC1 ZINC000493723515 564810553 /nfs/dbraw/zinc/81/05/53/564810553.db2.gz JXGVRLGSKDZDAM-UHFFFAOYSA-N 1 0 398.345 2.772 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NCc2c(Cl)cccc2Cl)C[C@@H]1C ZINC000556134008 564813207 /nfs/dbraw/zinc/81/32/07/564813207.db2.gz JABXBOIAAIKTLH-STQMWFEESA-N 1 0 386.323 2.941 20 0 GFADRO COc1ccc(S(=O)(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)c(Cl)c1Cl ZINC000581824621 564818543 /nfs/dbraw/zinc/81/85/43/564818543.db2.gz RQUKHUMRXHLGCU-HNNXBMFYSA-N 1 0 379.309 2.766 20 0 GFADRO COCC[N@H+](C)C[C@@H](O)Cn1cc(Br)c(-c2ccc(C)c(C)c2)n1 ZINC000581835141 564819525 /nfs/dbraw/zinc/81/95/25/564819525.db2.gz NLWZXRNZPSBETO-MRXNPFEDSA-N 1 0 396.329 2.869 20 0 GFADRO O=C(CC[NH2+]C1CC1)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000581834658 564819952 /nfs/dbraw/zinc/81/99/52/564819952.db2.gz VZUMSGPNAODANQ-UHFFFAOYSA-N 1 0 376.810 2.545 20 0 GFADRO Cc1csc(C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])c1I ZINC000581879235 564821519 /nfs/dbraw/zinc/82/15/19/564821519.db2.gz YZEIQQSCESDYPN-NXEZZACHSA-N 1 0 378.279 2.908 20 0 GFADRO C[C@]1(Br)C[C@@H]1C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000529168918 564823512 /nfs/dbraw/zinc/82/35/12/564823512.db2.gz RNVVZTKDRJXPGR-NUJGCVRESA-N 1 0 381.314 2.567 20 0 GFADRO CC(C)OC[C@H](C)[NH2+]CC(=O)Nc1ccc(I)cc1 ZINC000556412622 564824610 /nfs/dbraw/zinc/82/46/10/564824610.db2.gz QFUUWZPNKLOMKL-NSHDSACASA-N 1 0 376.238 2.633 20 0 GFADRO Cc1c(Br)cc(C[NH2+]CCN2CCOCC2)cc1Br ZINC000556405565 564824632 /nfs/dbraw/zinc/82/46/32/564824632.db2.gz BNQLJGDCIOOVQZ-UHFFFAOYSA-N 1 0 392.135 2.942 20 0 GFADRO OCCC[N@@H+]1CCC[C@@H](Nc2ncnc3cc(F)c(Br)cc32)C1 ZINC000581984361 564825596 /nfs/dbraw/zinc/82/55/96/564825596.db2.gz VFQCDKIWAXOMQW-LLVKDONJSA-N 1 0 383.265 2.790 20 0 GFADRO COC(=O)c1cc(Br)cc(C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)c1 ZINC000462195234 564826227 /nfs/dbraw/zinc/82/62/27/564826227.db2.gz ZLYCOZBDDMWFPP-LSDHHAIUSA-N 1 0 383.286 2.838 20 0 GFADRO CNC(=O)c1cccc(NC(=O)N2CC[N@H+](C)[C@@H](C(C)C)C2)c1Br ZINC000494362662 564826374 /nfs/dbraw/zinc/82/63/74/564826374.db2.gz BXHJPQLAHDTBFA-CQSZACIVSA-N 1 0 397.317 2.613 20 0 GFADRO O=C(NC[C@@H]1C[N@@H+]2CCN1CCC2)c1c(Br)ccc2ccccc21 ZINC000529284297 564828212 /nfs/dbraw/zinc/82/82/12/564828212.db2.gz MHVBUXMFANVDLD-OAHLLOKOSA-N 1 0 388.309 2.722 20 0 GFADRO O=C(N[C@H]1CCN(c2ccc(Br)cc2)C1)N[C@H]1CC[NH2+]C12CCC2 ZINC000529300318 564828266 /nfs/dbraw/zinc/82/82/66/564828266.db2.gz BVBWAFYDEJXNMQ-HOCLYGCPSA-N 1 0 393.329 2.612 20 0 GFADRO Cc1ccc(S(=O)(=O)NCCC2CC[NH+](C)CC2)cc1Br ZINC000462261426 564829240 /nfs/dbraw/zinc/82/92/40/564829240.db2.gz WVWWNECLDYUJST-UHFFFAOYSA-N 1 0 375.332 2.768 20 0 GFADRO COc1cc(Br)c(CNC(=O)N[C@@H]2CC[NH2+]C23CCC3)cc1OC ZINC000529308149 564829532 /nfs/dbraw/zinc/82/95/32/564829532.db2.gz ZZKGJGGCISLQAP-OAHLLOKOSA-N 1 0 398.301 2.550 20 0 GFADRO Cc1cscc1C[NH2+][C@@H](C)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000494452572 564830604 /nfs/dbraw/zinc/83/06/04/564830604.db2.gz OJTOMIGCZGYFHH-HNNXBMFYSA-N 1 0 380.535 2.928 20 0 GFADRO COC(=O)c1ccc(CNC[C@]2([NH+](C)C)CCSC2)c(Br)c1 ZINC000556602181 564832348 /nfs/dbraw/zinc/83/23/48/564832348.db2.gz UAYKTDSWXQDMKL-MRXNPFEDSA-N 1 0 387.343 2.763 20 0 GFADRO C[NH+](C)C1(CNS(=O)(=O)c2cc(F)ccc2Cl)Cc2ccccc2C1 ZINC000462320454 564833340 /nfs/dbraw/zinc/83/33/40/564833340.db2.gz RDVSYVGRBGJJCT-UHFFFAOYSA-N 1 0 382.888 2.857 20 0 GFADRO OC[C@@H](Cc1ccc(F)cc1)[NH2+]Cc1cn2ccc(Br)cc2n1 ZINC000582151345 564833422 /nfs/dbraw/zinc/83/34/22/564833422.db2.gz UJANMPSFWYKDFZ-OAHLLOKOSA-N 1 0 378.245 2.929 20 0 GFADRO Cc1cc(N2CC[C@@H]([NH2+][C@H](C)Cn3cccn3)C2=O)ccc1Br ZINC000462318522 564833798 /nfs/dbraw/zinc/83/37/98/564833798.db2.gz SIHMNUVJOGTRHN-CZUORRHYSA-N 1 0 377.286 2.738 20 0 GFADRO Cc1cccc(CC(=O)N2CCC[C@H](C[N@@H+]3CC[C@H](O)C3)C2)c1Br ZINC000529399480 564834284 /nfs/dbraw/zinc/83/42/84/564834284.db2.gz QLIXVDUTAXZTGM-WBVHZDCISA-N 1 0 395.341 2.605 20 0 GFADRO CC(=O)N[C@@H](CC(=O)N[C@@H](C)CCCC[NH3+])c1ccc(Br)cc1 ZINC000494668942 564835921 /nfs/dbraw/zinc/83/59/21/564835921.db2.gz AGZXTQPNHAIGAW-LRDDRELGSA-N 1 0 384.318 2.650 20 0 GFADRO Ic1ccc2ncnc(N[C@@H]3CC[N@@H+](C4CC4)C3)c2c1 ZINC000462376460 564836026 /nfs/dbraw/zinc/83/60/26/564836026.db2.gz JTNWIELDXYIOSN-LLVKDONJSA-N 1 0 380.233 2.883 20 0 GFADRO CC[C@@H](CO)[NH+]1CCN(Cc2c[nH]nc2-c2ccc(Br)s2)CC1 ZINC000529532617 564841055 /nfs/dbraw/zinc/84/10/55/564841055.db2.gz RSAWBOHQZWAVCW-ZDUSSCGKSA-N 1 0 399.358 2.789 20 0 GFADRO OC[C@@H]([NH2+]Cc1ccnc(-c2ccc(Br)cc2)n1)[C@H]1CCCOC1 ZINC000556816663 564842359 /nfs/dbraw/zinc/84/23/59/564842359.db2.gz SMEBRMQYVKOBHO-WMLDXEAASA-N 1 0 392.297 2.783 20 0 GFADRO O=C([C@@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000494882545 564843146 /nfs/dbraw/zinc/84/31/46/564843146.db2.gz ZTKMYIASQFXBMZ-OZVIIMIRSA-N 1 0 382.291 2.557 20 0 GFADRO Cc1cc(Br)cc(C)c1S(=O)(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000462496666 564843449 /nfs/dbraw/zinc/84/34/49/564843449.db2.gz SGKNNPXTSFHYBE-JSGCOSHPSA-N 1 0 375.332 2.827 20 0 GFADRO Cc1cc(Br)cn2cc(CC[NH2+][C@@H]3CCC(=O)NC3(C)C)nc12 ZINC000494933404 564845095 /nfs/dbraw/zinc/84/50/95/564845095.db2.gz UXVVNUDERZPDMV-CQSZACIVSA-N 1 0 379.302 2.595 20 0 GFADRO CN(C)C(=O)[C@@H]1CC[N@H+](Cc2c[nH]nc2-c2ccc(Br)s2)C1 ZINC000529610034 564845178 /nfs/dbraw/zinc/84/51/78/564845178.db2.gz VTZCQARHDOWXGW-SNVBAGLBSA-N 1 0 383.315 2.811 20 0 GFADRO O[C@H](C[NH2+]C[C@@H]1CCN(CC(F)(F)F)C1)COCc1ccc(Cl)cc1 ZINC000582415259 564845317 /nfs/dbraw/zinc/84/53/17/564845317.db2.gz JNDJCHHFFWMHOM-GOEBONIOSA-N 1 0 380.838 2.691 20 0 GFADRO COC(=O)c1cccc(NC(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)c1Br ZINC000495007219 564845728 /nfs/dbraw/zinc/84/57/28/564845728.db2.gz OIEQNVNGVYUGQB-MNOVXSKESA-N 1 0 384.274 2.840 20 0 GFADRO CC[NH+](CC)CCN(C(=O)[C@H]1CO[C@H](C)C1)c1ccc(Br)cn1 ZINC000582424141 564846272 /nfs/dbraw/zinc/84/62/72/564846272.db2.gz XCTGUWQBAZUMSL-ZIAGYGMSSA-N 1 0 384.318 2.944 20 0 GFADRO C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+][C@H](C)C1(S(C)(=O)=O)CC1 ZINC000556922912 564846741 /nfs/dbraw/zinc/84/67/41/564846741.db2.gz YDAGRTOFSCPYIP-ZIAGYGMSSA-N 1 0 386.945 2.632 20 0 GFADRO C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+][C@@H](C)C1(S(C)(=O)=O)CC1 ZINC000556922910 564847057 /nfs/dbraw/zinc/84/70/57/564847057.db2.gz YDAGRTOFSCPYIP-KGLIPLIRSA-N 1 0 386.945 2.632 20 0 GFADRO C[C@@H](C(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1)c1cccc(Br)c1 ZINC000462550328 564847375 /nfs/dbraw/zinc/84/73/75/564847375.db2.gz KHZWRFRYZODMAO-ZIAGYGMSSA-N 1 0 383.330 2.856 20 0 GFADRO C[C@@H]1C[C@H]([NH3+])CCN1S(=O)(=O)c1cc(Cl)c(Br)cc1F ZINC000582494976 564849497 /nfs/dbraw/zinc/84/94/97/564849497.db2.gz RICHVUSEFMBAMF-HTQZYQBOSA-N 1 0 385.686 2.742 20 0 GFADRO CS(=O)(=O)N1CC[C@@H]([NH2+]Cc2csc3c2cccc3Br)C1 ZINC000582497911 564849510 /nfs/dbraw/zinc/84/95/10/564849510.db2.gz HOBBFSVGLZGQQY-LLVKDONJSA-N 1 0 389.340 2.787 20 0 GFADRO CS[C@H]1CN(C(=O)c2c(F)cc(Br)cc2F)C[C@H]1[NH+](C)C ZINC000495696463 564855930 /nfs/dbraw/zinc/85/59/30/564855930.db2.gz LEPIKVMDUHENNE-NEPJUHHUSA-N 1 0 379.270 2.845 20 0 GFADRO O=C(c1cc(Br)c2c(c1)OCCO2)N1CC[NH+](C2CCCC2)CC1 ZINC000495937883 564856982 /nfs/dbraw/zinc/85/69/82/564856982.db2.gz TVEFVADPHOTNLJ-UHFFFAOYSA-N 1 0 395.297 2.921 20 0 GFADRO CC(C)N(CC[NH+](C)C)C(=O)c1cc(I)ccc1F ZINC000495955016 564857129 /nfs/dbraw/zinc/85/71/29/564857129.db2.gz UQOJQHKUGZQUPY-UHFFFAOYSA-N 1 0 378.229 2.843 20 0 GFADRO CCN1C[C@H]([NH2+][C@@H]2CCN(c3ccc(Br)c(C)c3)C2=O)[C@@H](C)C1 ZINC000462842405 564859922 /nfs/dbraw/zinc/85/99/22/564859922.db2.gz QVLQGIMMYIHIOV-XKQJLSEDSA-N 1 0 380.330 2.793 20 0 GFADRO Cc1cc(N2CC[C@H]([NH2+][C@H]3CN(C4CC4)C[C@H]3C)C2=O)ccc1Br ZINC000462841534 564859983 /nfs/dbraw/zinc/85/99/83/564859983.db2.gz PFUDMVHBPLGQFN-BVGQSLNGSA-N 1 0 392.341 2.935 20 0 GFADRO Cc1nc(C(=O)N[C@@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)c(=O)[nH]c1C ZINC000530032386 564860058 /nfs/dbraw/zinc/86/00/58/564860058.db2.gz RKAXPCGBRXEOAH-AWEZNQCLSA-N 1 0 383.279 2.726 20 0 GFADRO C[NH+](C)C[C@@H](NC(=O)c1ccnc2n[nH]nc21)c1ccc(Cl)c(Cl)c1 ZINC000530033379 564860341 /nfs/dbraw/zinc/86/03/41/564860341.db2.gz OIMNGXFJFDMCSE-CYBMUJFWSA-N 1 0 379.251 2.692 20 0 GFADRO Cc1ccc(C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)cc1Br ZINC000582761281 564861007 /nfs/dbraw/zinc/86/10/07/564861007.db2.gz YSBHRMCBDFMUFT-UHFFFAOYSA-N 1 0 377.286 3.473 20 0 GFADRO CC[NH+](CC)[C@@H](CNc1cnn(C)c(=O)c1Br)Cc1ccccc1 ZINC000496722214 564861563 /nfs/dbraw/zinc/86/15/63/564861563.db2.gz LMZKZDQPWXSEOT-OAHLLOKOSA-N 1 0 393.329 2.908 20 0 GFADRO C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000462884473 564862196 /nfs/dbraw/zinc/86/21/96/564862196.db2.gz QDSRAKCNLMEEFR-RIEGTJTDSA-N 1 0 384.307 2.616 20 0 GFADRO COc1ccc(CCC(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)cc1Br ZINC000462889948 564862420 /nfs/dbraw/zinc/86/24/20/564862420.db2.gz VUADCSKQWGNIDJ-GOEBONIOSA-N 1 0 381.314 2.895 20 0 GFADRO COc1ccc(Br)c(CNC(=O)N2CC[C@H]3CC[N@H+](C)C[C@@H]32)c1 ZINC000497397469 564866669 /nfs/dbraw/zinc/86/66/69/564866669.db2.gz QEIITTUFEPONRT-WBMJQRKESA-N 1 0 382.302 2.693 20 0 GFADRO Cc1cccnc1CC[NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000582900266 564866916 /nfs/dbraw/zinc/86/69/16/564866916.db2.gz JFSVRUGBDNKUQT-OAHLLOKOSA-N 1 0 383.261 2.864 20 0 GFADRO CC[C@@H]([NH3+])CNC(=O)[C@@H](CCSC)NC(=O)c1ccc(Cl)cc1Cl ZINC000582904323 564867262 /nfs/dbraw/zinc/86/72/62/564867262.db2.gz MQDGSKHYEIMNLA-BXUZGUMPSA-N 1 0 392.352 2.698 20 0 GFADRO CN1C(=O)c2ccccc2[C@@H]1C[NH2+]C[C@H](O)c1ccccc1Br ZINC000530240925 564873189 /nfs/dbraw/zinc/87/31/89/564873189.db2.gz BYKAIQWZYZKZFF-IRXDYDNUSA-N 1 0 375.266 2.899 20 0 GFADRO Brc1ccc2ncc(CN3CCC(CO[C@H]4CC[NH2+]C4)CC3)n2c1 ZINC000530248291 564873287 /nfs/dbraw/zinc/87/32/87/564873287.db2.gz IFRQXXSEMNSJMH-KRWDZBQOSA-N 1 0 393.329 2.687 20 0 GFADRO Brc1ccc(CN[C@@H]2CC[NH2+]C23CCC3)c(N2CCOCC2)c1 ZINC000530244825 564873298 /nfs/dbraw/zinc/87/32/98/564873298.db2.gz PHWBEBJEJQIHCN-QGZVFWFLSA-N 1 0 380.330 2.660 20 0 GFADRO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)NCc1cc(Br)cc2c1OCC2 ZINC000463256507 564874609 /nfs/dbraw/zinc/87/46/09/564874609.db2.gz NXKTVDSVOBEJPL-MRXNPFEDSA-N 1 0 396.329 2.866 20 0 GFADRO Cc1nc(CSc2ccccc2C(=O)NC[C@@H]2C[NH2+]CCCO2)cs1 ZINC000583087198 564875674 /nfs/dbraw/zinc/87/56/74/564875674.db2.gz MKOFODCBXRWFPW-HNNXBMFYSA-N 1 0 377.535 2.852 20 0 GFADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)N(C)CCc1cccc(Br)c1 ZINC000463315883 564875841 /nfs/dbraw/zinc/87/58/41/564875841.db2.gz QXAQEQSPDQQRHH-KRWDZBQOSA-N 1 0 398.345 2.744 20 0 GFADRO CC(C)N1CC[C@@H]([NH2+][C@@H](C)c2ccc(Br)cc2OCCCO)C1=O ZINC000463361395 564877723 /nfs/dbraw/zinc/87/77/23/564877723.db2.gz NOWFZCXVQQYZAW-XJKSGUPXSA-N 1 0 399.329 2.870 20 0 GFADRO COCC[N@H+](C)CCCNC(=O)N(C)CCc1cccc(Br)c1 ZINC000463376773 564878126 /nfs/dbraw/zinc/87/81/26/564878126.db2.gz SAKZSSSEEVCCLM-UHFFFAOYSA-N 1 0 386.334 2.601 20 0 GFADRO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)Nc1cc(C)c(Br)cc1F ZINC000497914461 564879534 /nfs/dbraw/zinc/87/95/34/564879534.db2.gz OGTUCLGWJGIGNO-LLVKDONJSA-N 1 0 388.281 2.682 20 0 GFADRO C[NH+](C)[C@@H]1CCCN(S(=O)(=O)Cc2ccccc2Br)CC1 ZINC000557839129 564880386 /nfs/dbraw/zinc/88/03/86/564880386.db2.gz QVBOLWJPLYLHQG-CQSZACIVSA-N 1 0 375.332 2.695 20 0 GFADRO O=C1[C@H]([N@@H+]2CC[C@H](n3cccn3)C2)CCN1c1cccc(Br)c1 ZINC000463435821 564881699 /nfs/dbraw/zinc/88/16/99/564881699.db2.gz USGHEQVDLZMROT-JKSUJKDBSA-N 1 0 375.270 2.698 20 0 GFADRO CN1CC[C@@](O)(C[NH2+][C@@H]2CCCc3c4cc(Br)ccc4[nH]c32)C1 ZINC000583225929 564881714 /nfs/dbraw/zinc/88/17/14/564881714.db2.gz GYYOMRXPWFGNIZ-SJLPKXTDSA-N 1 0 378.314 2.964 20 0 GFADRO CCO[C@@H]1C[C@]([NH3+])(C(=O)Nc2ccc(CN(C)C)c(Br)c2)C1(C)C ZINC000583261812 564883639 /nfs/dbraw/zinc/88/36/39/564883639.db2.gz ITJOBBQTXCRBGN-QAPCUYQASA-N 1 0 398.345 2.982 20 0 GFADRO COc1ccc(CN2CCCC[C@@H](S(C)(=O)=O)C2)c(Br)c1 ZINC000583290260 564884371 /nfs/dbraw/zinc/88/43/71/564884371.db2.gz PMOCXNIHMRGTFC-CQSZACIVSA-N 1 0 376.316 2.857 20 0 GFADRO Cc1cc(Br)cc(C(=O)Nc2ccc(=O)n(CC[NH+](C)C)c2)c1 ZINC000463592152 564885368 /nfs/dbraw/zinc/88/53/68/564885368.db2.gz TUILYNAAOFQNMQ-UHFFFAOYSA-N 1 0 378.270 2.733 20 0 GFADRO COCC1(CC[NH2+][C@H](C)c2ccc(Br)c(S(N)(=O)=O)c2)CC1 ZINC000583381109 564889088 /nfs/dbraw/zinc/88/90/88/564889088.db2.gz XFJJKOVWYLWCOF-LLVKDONJSA-N 1 0 391.331 2.564 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)N1CC[C@@](O)(C(F)(F)F)C1)c1ccc(Cl)cc1 ZINC000530638429 564890537 /nfs/dbraw/zinc/89/05/37/564890537.db2.gz DBKBGCRMZFKIOV-ZFWWWQNUSA-N 1 0 379.810 2.651 20 0 GFADRO C[C@H](CC[NH+](C)C)NC(=O)[C@H](c1ccc(Cl)cc1Cl)N1CCOCC1 ZINC000463813485 564890730 /nfs/dbraw/zinc/89/07/30/564890730.db2.gz ASRJGFSNIWOHQB-DYVFJYSZSA-N 1 0 388.339 2.823 20 0 GFADRO [NH3+][C@H](CC(F)F)C(=O)N1CCC[C@@H]1C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000498206528 564892097 /nfs/dbraw/zinc/89/20/97/564892097.db2.gz HYRNCTHXBCQAKA-VXGBXAGGSA-N 1 0 380.222 2.905 20 0 GFADRO C[C@@]1([NH3+])CCCC[C@H]1C(=O)NCCCNC(=O)c1cccc(Br)c1 ZINC000498207796 564892188 /nfs/dbraw/zinc/89/21/88/564892188.db2.gz KFVKCLZDLIBAEN-MAUKXSAKSA-N 1 0 396.329 2.593 20 0 GFADRO COCCN(C)C[C@H](O)C[NH2+][C@@H]1c2cccc(Br)c2CC1(C)C ZINC000583449025 564892424 /nfs/dbraw/zinc/89/24/24/564892424.db2.gz ZAVMYPJUVWRTES-CXAGYDPISA-N 1 0 385.346 2.601 20 0 GFADRO C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000498345895 564895984 /nfs/dbraw/zinc/89/59/84/564895984.db2.gz TVLOLVUESQIQSV-OLZOCXBDSA-N 1 0 386.323 2.960 20 0 GFADRO CCC(=O)N1CSC[C@@H]1C(=O)N(CC[NH+](CC)CC)Cc1cccs1 ZINC000464142844 564896714 /nfs/dbraw/zinc/89/67/14/564896714.db2.gz UKFUYAOSAKADOU-MRXNPFEDSA-N 1 0 383.583 2.730 20 0 GFADRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000498362102 564896772 /nfs/dbraw/zinc/89/67/72/564896772.db2.gz DTWMUBLWLJYCOX-CVEARBPZSA-N 1 0 377.286 2.639 20 0 GFADRO CNC(=O)[C@H]1CCC[C@@H]1[NH2+]Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000498362103 564897165 /nfs/dbraw/zinc/89/71/65/564897165.db2.gz DTWMUBLWLJYCOX-HOTGVXAUSA-N 1 0 377.286 2.639 20 0 GFADRO C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@H]2COc3c2ccc(Cl)c3Cl)[C@@H](C)C1 ZINC000498415484 564897567 /nfs/dbraw/zinc/89/75/67/564897567.db2.gz QXNSTLHWOCQLJB-MJVIPROJSA-N 1 0 388.295 2.523 20 0 GFADRO CC(C)CN(C(=O)C[NH+]1CCC(n2cc(Br)cn2)CC1)C1CC1 ZINC000530904800 564897796 /nfs/dbraw/zinc/89/77/96/564897796.db2.gz NXOPXXYBWWSHEI-UHFFFAOYSA-N 1 0 383.334 2.930 20 0 GFADRO CSc1ccc(S(=O)(=O)NCC2(O)CC[NH+](C(C)C)CC2)cc1Cl ZINC000464184657 564897825 /nfs/dbraw/zinc/89/78/25/564897825.db2.gz HESRJJJXKRCEHK-UHFFFAOYSA-N 1 0 392.974 2.576 20 0 GFADRO CC[NH+](CC)CCO[C@@H]1CCN(S(=O)(=O)c2c(F)cccc2Cl)C1 ZINC000464209544 564899117 /nfs/dbraw/zinc/89/91/17/564899117.db2.gz GCZHHAITSOJXRF-CYBMUJFWSA-N 1 0 378.897 2.601 20 0 GFADRO O=C(c1cc2c(c(Br)c1)OCO2)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000498525251 564901222 /nfs/dbraw/zinc/90/12/22/564901222.db2.gz GNNCHOBZZBGMDT-ZDUSSCGKSA-N 1 0 381.270 2.878 20 0 GFADRO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)Cc1cc2c(cc1Br)OCCO2 ZINC000583667181 564901605 /nfs/dbraw/zinc/90/16/05/564901605.db2.gz RSYQEXPSHIPMQB-GFCCVEGCSA-N 1 0 385.302 2.608 20 0 GFADRO Cn1cc(C[C@H]2CC[N@H+](Cc3cc4c(c(Br)c3)OCO4)C2)cn1 ZINC000531104934 564901774 /nfs/dbraw/zinc/90/17/74/564901774.db2.gz VMNRVDSIGSGUCC-GFCCVEGCSA-N 1 0 378.270 2.976 20 0 GFADRO CS(=O)(=O)c1ccc(C[NH2+]C[C@@H](O)Cc2ccc3ccccc3c2)s1 ZINC000583688943 564903683 /nfs/dbraw/zinc/90/36/83/564903683.db2.gz KXVQWHGPCDRSRE-KRWDZBQOSA-N 1 0 375.515 2.998 20 0 GFADRO CC(C)(C)[C@@H]1CC[N@H+](Cc2cc(=O)n3cc(Br)ccc3n2)C[C@H]1O ZINC000583720054 564904176 /nfs/dbraw/zinc/90/41/76/564904176.db2.gz OWXZLJNVOBZLGN-HUUCEWRRSA-N 1 0 394.313 2.686 20 0 GFADRO Cc1[nH+]ccc(NCc2ccccc2OCC(=O)N(C)C)c1Br ZINC000583728571 564904878 /nfs/dbraw/zinc/90/48/78/564904878.db2.gz RNAPBLNBJJSBSF-UHFFFAOYSA-N 1 0 378.270 2.654 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cc(Cl)ccc1C(F)(F)F ZINC000498656550 564905208 /nfs/dbraw/zinc/90/52/08/564905208.db2.gz JNQKHCNLCKPFIO-NSHDSACASA-N 1 0 377.794 2.898 20 0 GFADRO C[C@@H]1CC[N@H+](C)CCN1C(=O)[C@]12CCC(=O)N1c1cc(Cl)ccc1S2 ZINC000498716661 564906277 /nfs/dbraw/zinc/90/62/77/564906277.db2.gz LBWNZTYMYNEMCN-KZULUSFZSA-N 1 0 379.913 2.821 20 0 GFADRO CC[N@H+](C)CCNC(=O)c1cccn1-c1ccc(I)cc1 ZINC000498752556 564907797 /nfs/dbraw/zinc/90/77/97/564907797.db2.gz HSCZOAYMDXZFIC-UHFFFAOYSA-N 1 0 397.260 2.763 20 0 GFADRO CC(=O)N[C@H](CC(=O)N1CC[N@@H+](C)CC[C@H]1C)c1ccc(Br)cc1 ZINC000498734973 564907411 /nfs/dbraw/zinc/90/74/11/564907411.db2.gz CBXXDVFVAHITKP-CXAGYDPISA-N 1 0 396.329 2.569 20 0 GFADRO COc1ncc([C@@H](C)[NH2+]C[C@H]2CS(=O)(=O)c3ccccc3O2)cc1Cl ZINC000583811974 564908606 /nfs/dbraw/zinc/90/86/06/564908606.db2.gz JQSWJNGSTTWGEU-YPMHNXCESA-N 1 0 382.869 2.629 20 0 GFADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCc2cc(Br)ccc21 ZINC000583813800 564909130 /nfs/dbraw/zinc/90/91/30/564909130.db2.gz HNBSVTRUHBDKIA-DOTOQJQBSA-N 1 0 381.314 2.706 20 0 GFADRO CC(C)(O)C[N@H+](C[C@@H](O)COc1ccc(Cl)cc1Cl)C1CCOCC1 ZINC000531416161 564909366 /nfs/dbraw/zinc/90/93/66/564909366.db2.gz NNPOFVXZCCVUQX-OAHLLOKOSA-N 1 0 392.323 2.985 20 0 GFADRO C[N@@H+]1C[C@@H](NS(=O)(=O)c2cccc(Br)c2)[C@@H](c2ccccc2)C1 ZINC000498853294 564910597 /nfs/dbraw/zinc/91/05/97/564910597.db2.gz IPJHWOIVMQAWLV-IAGOWNOFSA-N 1 0 395.322 2.825 20 0 GFADRO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@@H]1CC(=O)N2CCCC[C@@H]12 ZINC000558698232 564912440 /nfs/dbraw/zinc/91/24/40/564912440.db2.gz ZGYGYDUQLUKKMF-WQVCFCJDSA-N 1 0 394.313 2.909 20 0 GFADRO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@@H]1CC(=O)N2CCCC[C@H]12 ZINC000558698225 564912638 /nfs/dbraw/zinc/91/26/38/564912638.db2.gz ZGYGYDUQLUKKMF-DAXOMENPSA-N 1 0 394.313 2.909 20 0 GFADRO C[N@@H+]1CCC[C@@H](CNC(=O)N2CCOc3ccc(Br)cc3C2)C1 ZINC000558769906 564914482 /nfs/dbraw/zinc/91/44/82/564914482.db2.gz KNKXQJJJEOHLKR-ZDUSSCGKSA-N 1 0 382.302 2.695 20 0 GFADRO O[C@H](C[NH2+]C[C@@H]1CCN(CC(F)(F)F)C1)COCc1ccccc1Cl ZINC000583989071 564915352 /nfs/dbraw/zinc/91/53/52/564915352.db2.gz AVYFSTHZQYXGON-DZGCQCFKSA-N 1 0 380.838 2.691 20 0 GFADRO CC[C@H](CO)[NH+]1CCN([C@H](C(=O)OC)c2ccc(Cl)cc2Cl)CC1 ZINC000464765975 564917564 /nfs/dbraw/zinc/91/75/64/564917564.db2.gz BCMCJZPAMUQYEQ-CJNGLKHVSA-N 1 0 375.296 2.596 20 0 GFADRO C[C@@H](C(=O)NC1(CCO)CC[NH+](C)CC1)c1ccc(Br)s1 ZINC000499115030 564918170 /nfs/dbraw/zinc/91/81/70/564918170.db2.gz GYQXLKOEKWPRDJ-LLVKDONJSA-N 1 0 375.332 2.577 20 0 GFADRO O=C1CCCN1CCC[NH+]1CCN(Cc2ccc(Br)c(F)c2)CC1 ZINC000531733115 564919312 /nfs/dbraw/zinc/91/93/12/564919312.db2.gz KZAPCOKZGVPHQB-UHFFFAOYSA-N 1 0 398.320 2.718 20 0 GFADRO CC(=O)N[C@@H](CC(=O)N1CCC[C@@H]1C[NH+](C)C)c1ccc(Br)cc1 ZINC000464923311 564920215 /nfs/dbraw/zinc/92/02/15/564920215.db2.gz WGJXAVGFLZVHSO-SJORKVTESA-N 1 0 396.329 2.569 20 0 GFADRO C[C@H]1Cc2cc(S(=O)(=O)N3CC[C@@]4(C3)CCC[N@H+](C)C4)cc(Cl)c2O1 ZINC000559134595 564923829 /nfs/dbraw/zinc/92/38/29/564923829.db2.gz ZYOYTCMALPKFPA-UGSOOPFHSA-N 1 0 384.929 2.770 20 0 GFADRO OCC1([NH2+]CC2CC2)CCN(CCOc2cccc(Br)c2)CC1 ZINC000584176081 564924375 /nfs/dbraw/zinc/92/43/75/564924375.db2.gz VTLQLXKGYRCMIF-UHFFFAOYSA-N 1 0 383.330 2.654 20 0 GFADRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NCCOc1cccc(Br)c1 ZINC000532063922 564928214 /nfs/dbraw/zinc/92/82/14/564928214.db2.gz FZGRBVXVVAUWAQ-BLLLJJGKSA-N 1 0 382.302 2.610 20 0 GFADRO CCO[C@@H]1C[C@H]([NH2+]Cc2cc3c(c(Br)c2)OCO3)[C@@H]1n1cccn1 ZINC000559361665 564931479 /nfs/dbraw/zinc/93/14/79/564931479.db2.gz RFJSBKBRZJRTBF-LZWOXQAQSA-N 1 0 394.269 2.883 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)NCCC(=O)Nc2ccc(Br)cc2)CC[N@@H+]1C ZINC000465707382 564931565 /nfs/dbraw/zinc/93/15/65/564931565.db2.gz HZBODHDEAXIXCF-DOMZBBRYSA-N 1 0 397.317 2.560 20 0 GFADRO C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CCN1CCSCC1 ZINC000532228627 564932386 /nfs/dbraw/zinc/93/23/86/564932386.db2.gz JPNNGHXHMNCITB-ZDUSSCGKSA-N 1 0 386.359 2.805 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)N[C@@H]2CCN(c3ccccc3Br)C2)CC[N@@H+]1C ZINC000465893605 564933271 /nfs/dbraw/zinc/93/32/71/564933271.db2.gz TZULAEJSFHKGMB-QLFBSQMISA-N 1 0 395.345 2.810 20 0 GFADRO C[C@H]1C[C@H](NC(=O)N(C)CCOc2ccc(Br)cc2)CC[N@@H+]1C ZINC000466042914 564934803 /nfs/dbraw/zinc/93/48/03/564934803.db2.gz RHSDREDRSLMXNL-DZGCQCFKSA-N 1 0 384.318 2.952 20 0 GFADRO C[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1)[C@@H]1CCOC1 ZINC000466107232 564935013 /nfs/dbraw/zinc/93/50/13/564935013.db2.gz CAPZNTRKLADNOP-GDBMZVCRSA-N 1 0 398.345 2.947 20 0 GFADRO CCc1csc(NC(=O)C(=O)NC[C@H](c2ccc(Cl)cc2)[NH+](C)C)n1 ZINC000559556169 564935267 /nfs/dbraw/zinc/93/52/67/564935267.db2.gz NLXYHZPJOJDKEH-CQSZACIVSA-N 1 0 380.901 2.717 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@H](C)Oc1cccc(Br)c1 ZINC000466008684 564935328 /nfs/dbraw/zinc/93/53/28/564935328.db2.gz MDOKOLMTHNEJBJ-ZFWWWQNUSA-N 1 0 384.318 3.000 20 0 GFADRO COc1cc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)cc(Br)c1OC ZINC000559546654 564935394 /nfs/dbraw/zinc/93/53/94/564935394.db2.gz WNCYEIVRMVLCKU-OLZOCXBDSA-N 1 0 383.286 2.775 20 0 GFADRO C[C@@H]1CN(C)C[C@H]1[NH2+]CC(C)(C)S(=O)(=O)c1ccc(Br)cc1 ZINC000532353009 564935814 /nfs/dbraw/zinc/93/58/14/564935814.db2.gz BXHKAPSWZCSZTO-IUODEOHRSA-N 1 0 389.359 2.541 20 0 GFADRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NCCc1cc(Br)ccc1F ZINC000466266547 564936895 /nfs/dbraw/zinc/93/68/95/564936895.db2.gz SSBCJFHMYXHSFJ-BDJLRTHQSA-N 1 0 384.293 2.913 20 0 GFADRO C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)NCc3cccc(Cl)c3Cl)CC[C@@H]21 ZINC000559632881 564937517 /nfs/dbraw/zinc/93/75/17/564937517.db2.gz TWLLEQIAHDDJFY-ZFWWWQNUSA-N 1 0 384.307 2.552 20 0 GFADRO C[N@@H+]1CCCC[C@H]1CCN1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000532480128 564938916 /nfs/dbraw/zinc/93/89/16/564938916.db2.gz BSKHVDUAJUBIQH-AWEZNQCLSA-N 1 0 391.990 2.582 20 0 GFADRO C[C@@H]1CC[N@H+](C)CCN1C(=O)Nc1ccnn1-c1ccc(Br)cn1 ZINC000500199866 564947538 /nfs/dbraw/zinc/94/75/38/564947538.db2.gz OBFSJSPWFYYFMA-GFCCVEGCSA-N 1 0 393.289 2.588 20 0 GFADRO COc1cc(Br)ccc1[C@H](C)[NH2+]C[C@H]1CCCS(=O)(=O)C1 ZINC000560194651 564953317 /nfs/dbraw/zinc/95/33/17/564953317.db2.gz HXMZFJAHPIAVSB-NWDGAFQWSA-N 1 0 376.316 2.933 20 0 GFADRO COc1ccc([C@H](C[NH+](C)C)NC(=O)c2ccc(Br)cn2)cc1 ZINC000560248859 564954474 /nfs/dbraw/zinc/95/44/74/564954474.db2.gz ILCLEYUQAGQNQN-INIZCTEOSA-N 1 0 378.270 2.885 20 0 GFADRO C[N@@H+]1CCN(C(=O)C2CCN(C(=O)c3ccc(Cl)s3)CC2)C(C)(C)C1 ZINC000500496591 564955429 /nfs/dbraw/zinc/95/54/29/564955429.db2.gz RBOSETXLVSLUNV-UHFFFAOYSA-N 1 0 383.945 2.806 20 0 GFADRO CN(CCOc1ccc(Br)cc1)C(=O)C[N@H+](C)CC[C@@H]1CCCO1 ZINC000467140401 564957021 /nfs/dbraw/zinc/95/70/21/564957021.db2.gz DQTADMDJLRXGDG-INIZCTEOSA-N 1 0 399.329 2.787 20 0 GFADRO CS(=O)(=O)NC[C@H]1CCC[C@H]1[NH2+]Cc1ccc(Cl)cc1Br ZINC000500550559 564957120 /nfs/dbraw/zinc/95/71/20/564957120.db2.gz ZOSIGICBSQEWJN-BXUZGUMPSA-N 1 0 395.750 2.910 20 0 GFADRO CNC(=O)NC(=O)CC[N@H+](C)[C@H]1CCSc2ccc(Br)cc21 ZINC000533281630 564959605 /nfs/dbraw/zinc/95/96/05/564959605.db2.gz IGFCPFOXQYUFIT-LBPRGKRZSA-N 1 0 386.315 2.764 20 0 GFADRO CO[C@H]1C[N@H+](CC(=O)N(C)CCOc2ccc(Br)cc2)CC[C@H]1C ZINC000467293344 564960053 /nfs/dbraw/zinc/96/00/53/564960053.db2.gz JTDPDVDACXORBI-PBHICJAKSA-N 1 0 399.329 2.643 20 0 GFADRO C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+]C[C@@H]1CCC[C@@H]1NS(C)(=O)=O ZINC000467359118 564961737 /nfs/dbraw/zinc/96/17/37/564961737.db2.gz AZHBDRDYLCDUFT-INWMFGNUSA-N 1 0 378.460 2.944 20 0 GFADRO C[C@@H](C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1)[N@H+](C)CC(C)(C)C ZINC000533415697 564962493 /nfs/dbraw/zinc/96/24/93/564962493.db2.gz NMKXAPUIIFWSFM-LBPRGKRZSA-N 1 0 389.949 2.895 20 0 GFADRO CS(=O)(=O)[C@H]1CCCC[C@H]1[NH2+]Cc1cc(Cl)ccc1N1CCOCC1 ZINC000467413420 564962640 /nfs/dbraw/zinc/96/26/40/564962640.db2.gz XJHMWIHLCPJKQN-AEFFLSMTSA-N 1 0 386.945 2.622 20 0 GFADRO C[C@@H]1C[N@H+](C)CCN1c1ccc(Br)cc1NC(=O)C1CC(=O)C1 ZINC000560459442 564963365 /nfs/dbraw/zinc/96/33/65/564963365.db2.gz PBEPMIHUAYYDMW-LLVKDONJSA-N 1 0 380.286 2.507 20 0 GFADRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)c2cccc(F)c2I)C1 ZINC000533541257 564964724 /nfs/dbraw/zinc/96/47/24/564964724.db2.gz XLCZXLCZHJOTMS-NSHDSACASA-N 1 0 390.240 2.890 20 0 GFADRO CC[NH+]1CCC(NC(=O)c2cccc(F)c2I)CC1 ZINC000533544158 564966278 /nfs/dbraw/zinc/96/62/78/564966278.db2.gz JLSSFSJQAYIENF-UHFFFAOYSA-N 1 0 376.213 2.644 20 0 GFADRO CC[C@]1(C(=O)NC[C@@H]2CCN(c3ccc(Br)cc3)C2)CCC[NH2+]1 ZINC000467714571 564970342 /nfs/dbraw/zinc/97/03/42/564970342.db2.gz RCRVXDNZYLXALO-KBXCAEBGSA-N 1 0 380.330 2.924 20 0 GFADRO C[C@@H]([NH2+]Cc1cn(-c2ccc(Cl)cc2Cl)nn1)[C@H](C)N1CCOCC1 ZINC000533753013 564971725 /nfs/dbraw/zinc/97/17/25/564971725.db2.gz RICKOBKCNUSICE-OLZOCXBDSA-N 1 0 384.311 2.773 20 0 GFADRO CC(C)[N@@H+]1CCCN(C(=O)C(=O)NCCc2cc(Cl)cc(Cl)c2)CC1 ZINC000560672093 564971698 /nfs/dbraw/zinc/97/16/98/564971698.db2.gz INGHBKBQGISTOQ-UHFFFAOYSA-N 1 0 386.323 2.595 20 0 GFADRO CC[NH+](CC)C[C@H](C)NC(=O)C[C@H](NC(C)=O)c1ccc(Br)cc1 ZINC000501224524 564973881 /nfs/dbraw/zinc/97/38/81/564973881.db2.gz BTXWUDCJHARCOY-GUYCJALGSA-N 1 0 398.345 2.863 20 0 GFADRO CCC[N@H+](C)CC(=O)N[C@H]1CCCN(c2ccc(Br)c(C)c2)C1=O ZINC000468148077 564978268 /nfs/dbraw/zinc/97/82/68/564978268.db2.gz GMNFDMMCJPIHKN-INIZCTEOSA-N 1 0 396.329 2.711 20 0 GFADRO C[NH+](C)[C@]1(CNS(=O)(=O)Cc2ccc(Cl)cc2Cl)CCSC1 ZINC000501443962 564980470 /nfs/dbraw/zinc/98/04/70/564980470.db2.gz WZBOSWNFBLTQLD-AWEZNQCLSA-N 1 0 383.366 2.850 20 0 GFADRO COCc1nc2n(n1)C[C@H]([NH2+][C@H]1CCc3cccc(Br)c3C1)CC2 ZINC000561044813 564981734 /nfs/dbraw/zinc/98/17/34/564981734.db2.gz HJQFNRVDRYSVAQ-UONOGXRCSA-N 1 0 391.313 2.649 20 0 GFADRO CCN(C[C@@H](O)C(F)(F)F)C(=O)[C@@H]1C[N@@H+](C(C)(C)C)C[C@H]1C(F)(F)F ZINC000501557117 564982779 /nfs/dbraw/zinc/98/27/79/564982779.db2.gz OKPDJKHKJOVYSO-GMTAPVOTSA-N 1 0 378.357 2.667 20 0 GFADRO COC(=O)[C@H](c1cccc(Br)c1)N(C)C(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC000501646310 564984016 /nfs/dbraw/zinc/98/40/16/564984016.db2.gz KROQNVMLRYILBM-AHIWAGSCSA-N 1 0 397.313 2.994 20 0 GFADRO CCc1n[nH]c(C(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)c1Br ZINC000468510602 564984921 /nfs/dbraw/zinc/98/49/21/564984921.db2.gz MGDQMHNNAJVKIB-CYBMUJFWSA-N 1 0 383.265 2.906 20 0 GFADRO C[C@]1(O)CCC[N@H+](CCCOc2cccc(I)c2)C1 ZINC000501773757 564985732 /nfs/dbraw/zinc/98/57/32/564985732.db2.gz LJUYMRFPROVZEU-HNNXBMFYSA-N 1 0 375.250 2.907 20 0 GFADRO COC(=O)c1cn(CC[NH2+][C@@H]2C[C@H](C)c3c2cccc3Br)nn1 ZINC000561298249 564989919 /nfs/dbraw/zinc/98/99/19/564989919.db2.gz KVAZYFXFBROUKC-GXFFZTMASA-N 1 0 379.258 2.665 20 0 GFADRO C[N@H+](CC(=O)N1CCO[C@@H](c2ccc(Br)cc2)C1)[C@H]1CCSC1 ZINC000534593723 564992481 /nfs/dbraw/zinc/99/24/81/564992481.db2.gz UZIVEWYKFKUUBF-JKSUJKDBSA-N 1 0 399.354 2.786 20 0 GFADRO C[C@H](NC(=O)C(=O)N1CC[C@@H]2CC[N@H+](C)C[C@@H]21)c1cccc(Cl)c1Cl ZINC000502308124 564995803 /nfs/dbraw/zinc/99/58/03/564995803.db2.gz YNDNSOGLMANPMW-HUBLWGQQSA-N 1 0 384.307 2.723 20 0 GFADRO CS[C@@H]1CN(C(=O)[C@@H](C)Oc2ccccc2Br)C[C@H]1[NH+](C)C ZINC000534827929 564997040 /nfs/dbraw/zinc/99/70/40/564997040.db2.gz STQCCWGJKRMZLR-UXIGCNINSA-N 1 0 387.343 2.720 20 0 GFADRO CC[NH+](CC)C[C@H](C)NC(=O)COc1cccc(I)c1 ZINC000468876946 564997659 /nfs/dbraw/zinc/99/76/59/564997659.db2.gz GEJXTCPXYDLNDF-LBPRGKRZSA-N 1 0 390.265 2.517 20 0 GFADRO C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)c1cc[nH]c(=O)c1Br ZINC000468892533 564997664 /nfs/dbraw/zinc/99/76/64/564997664.db2.gz HSEZXVGVXGJWSG-UHFFFAOYSA-N 1 0 396.260 2.893 20 0 GFADRO CC(C)[N@@H+]1CCC[C@@H](NS(=O)(=O)c2c(F)cccc2OC(F)(F)F)C1 ZINC000561525359 564998890 /nfs/dbraw/zinc/99/88/90/564998890.db2.gz BPIMBKFSCUGVIC-LLVKDONJSA-N 1 0 384.395 2.875 20 0 GFADRO C[NH+](C)CCOCCNC(=O)NCc1cnc(-c2ccc(Cl)cc2)s1 ZINC000502596755 565001778 /nfs/dbraw/zinc/00/17/78/565001778.db2.gz PJWZHOIVXFUODN-UHFFFAOYSA-N 1 0 382.917 2.841 20 0 GFADRO C[NH+](C)CCn1nccc1NC(=O)[C@H]1C[C@@H]1c1cccc(Br)c1 ZINC000561606825 565003562 /nfs/dbraw/zinc/00/35/62/565003562.db2.gz FIJQWOVSKSZPNM-CABCVRRESA-N 1 0 377.286 2.949 20 0 GFADRO Cc1cc(Br)ccc1CC(=O)N(C)CCN1CCOC(C)(C)C1 ZINC000469143472 565006876 /nfs/dbraw/zinc/00/68/76/565006876.db2.gz FIPUZVVXNVSPOK-UHFFFAOYSA-N 1 0 383.330 2.869 20 0 GFADRO C[C@@H](CN1CCOCC1)N(C)C(=O)c1ccc(Br)c(Cl)c1 ZINC000469136743 565006910 /nfs/dbraw/zinc/00/69/10/565006910.db2.gz TUMADDYGAFXWIJ-NSHDSACASA-N 1 0 375.694 2.895 20 0 GFADRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1c(Cl)cccc1C(F)(F)F ZINC000502866834 565007667 /nfs/dbraw/zinc/00/76/67/565007667.db2.gz IBVFIWMWWMKTRU-SKDRFNHKSA-N 1 0 377.794 2.802 20 0 GFADRO COc1ccc(-c2n[nH]cc2C[NH2+]Cc2ccc(S(C)(=O)=O)s2)cc1 ZINC000469184345 565008365 /nfs/dbraw/zinc/00/83/65/565008365.db2.gz ZGJKNWQVTBZUBY-UHFFFAOYSA-N 1 0 377.491 2.840 20 0 GFADRO C[C@@H]([NH2+]C[C@@H](O)CN1C[C@@H](C)O[C@@H](C)C1)c1ccc(Br)cc1F ZINC000561796569 565009579 /nfs/dbraw/zinc/00/95/79/565009579.db2.gz AULHUFNXBHYFNX-QVHKTLOISA-N 1 0 389.309 2.709 20 0 GFADRO CCO[C@@H](CC[NH+](C)C)CNC(=O)Cc1c(F)ccc(Br)c1F ZINC000502968359 565010223 /nfs/dbraw/zinc/01/02/23/565010223.db2.gz AYQZIXPFPMEYSI-NSHDSACASA-N 1 0 393.272 2.743 20 0 GFADRO C[NH+](C)[C@@]1(CNC(=O)N2CC[C@@H](Oc3cccc(Cl)c3)C2)CCSC1 ZINC000535361917 565011297 /nfs/dbraw/zinc/01/12/97/565011297.db2.gz KULAAIYZQFENDT-SJLPKXTDSA-N 1 0 383.945 2.940 20 0 GFADRO COC(=O)[C@]1(C)C[N@@H+]([C@@H](C)C(=O)Nc2cccc(Br)c2)C[C@H]1C ZINC000503206049 565013908 /nfs/dbraw/zinc/01/39/08/565013908.db2.gz GNLKRMGJVZFDIX-BWACUDIHSA-N 1 0 383.286 2.907 20 0 GFADRO CS[C@H]1CN(S(=O)(=O)Cc2cc(Cl)cc(Cl)c2)C[C@H]1[NH+](C)C ZINC000503223654 565014542 /nfs/dbraw/zinc/01/45/42/565014542.db2.gz ODGDKMUQJFYYDA-KGLIPLIRSA-N 1 0 383.366 2.801 20 0 GFADRO C[N@H+](C[C@@H](O)CN1CCO[C@@H](c2cc(F)c(Cl)cc2Cl)C1)C1CC1 ZINC000562029020 565015526 /nfs/dbraw/zinc/01/55/26/565015526.db2.gz CCCUCVATTSDYJE-SJKOYZFVSA-N 1 0 377.287 2.961 20 0 GFADRO CC(C)[N@H+](C)C[C@H](C)NS(=O)(=O)c1cc(N(C)C)ccc1Br ZINC000562009161 565015689 /nfs/dbraw/zinc/01/56/89/565015689.db2.gz KDBJXHWMZMCVBC-LBPRGKRZSA-N 1 0 392.363 2.522 20 0 GFADRO COC(=O)[C@]1(C)C[N@H+](C[C@H](O)COc2ccc(Cl)cc2Cl)C[C@H]1C ZINC000503267286 565016443 /nfs/dbraw/zinc/01/64/43/565016443.db2.gz HXQPTBIRFDLUGP-BTJLNZGRSA-N 1 0 376.280 2.864 20 0 GFADRO CC[N@H+](CCOCCO)[C@@H](C)C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl ZINC000503403690 565018516 /nfs/dbraw/zinc/01/85/16/565018516.db2.gz DGHJKFYOKSUPEW-STQMWFEESA-N 1 0 377.312 2.890 20 0 GFADRO CCN(CC)c1ncc(C[NH+]2CCC(C(=O)NCC(F)(F)F)CC2)s1 ZINC000535795438 565021362 /nfs/dbraw/zinc/02/13/62/565021362.db2.gz BLFDLJBSTWEMAO-UHFFFAOYSA-N 1 0 378.464 2.880 20 0 GFADRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1ccc(Br)c2c1OCCC2 ZINC000469615940 565022401 /nfs/dbraw/zinc/02/24/01/565022401.db2.gz UFUHQAIZVCJGJA-BZNIZROVSA-N 1 0 379.298 2.987 20 0 GFADRO CCS[C@@H]1CCC[C@@H]1[NH2+]CC(=O)NCC(=O)Nc1cccc(Cl)c1C ZINC000503523578 565022729 /nfs/dbraw/zinc/02/27/29/565022729.db2.gz QVEAYHVQYLMNOQ-JKSUJKDBSA-N 1 0 383.945 2.967 20 0 GFADRO C[C@@H](C[N@H+](C)CCN1CCCS1(=O)=O)Oc1ccc(Cl)c(Cl)c1 ZINC000469732873 565025344 /nfs/dbraw/zinc/02/53/44/565025344.db2.gz FWCUMACBBQZXKI-LBPRGKRZSA-N 1 0 381.325 2.728 20 0 GFADRO O=C(CCCS(=O)(=O)c1ccc(Cl)cc1)NCCC[NH+]1CCCCC1 ZINC000503685770 565026533 /nfs/dbraw/zinc/02/65/33/565026533.db2.gz FOSHGMMLSAVQJB-UHFFFAOYSA-N 1 0 386.945 2.886 20 0 GFADRO C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@H]2c2ccc(I)cc2)C1 ZINC000536039700 565027072 /nfs/dbraw/zinc/02/70/72/565027072.db2.gz MISTWCULIGMLAI-HIFRSBDPSA-N 1 0 384.261 2.906 20 0 GFADRO O=S(=O)(c1cc(F)ccc1Cl)N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000469803359 565028144 /nfs/dbraw/zinc/02/81/44/565028144.db2.gz ZJYOGQSSKYOJKT-HNNXBMFYSA-N 1 0 390.908 2.745 20 0 GFADRO O=C(c1cncc(Br)c1)N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000469914232 565031746 /nfs/dbraw/zinc/03/17/46/565031746.db2.gz IXMCOQWRCWMEFH-MRXNPFEDSA-N 1 0 382.302 2.561 20 0 GFADRO O=C(CC[N@@H+]1C[C@H](O)C[C@H]1[C@H]1CCCOC1)Nc1ccc(Br)cc1 ZINC000562543314 565032076 /nfs/dbraw/zinc/03/20/76/565032076.db2.gz AJGHQIGTMVXNNO-XKQJLSEDSA-N 1 0 397.313 2.640 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)CCC[N@H+]1C[C@@H](C)O[C@H](CO)C1 ZINC000470005290 565034587 /nfs/dbraw/zinc/03/45/87/565034587.db2.gz XEPOSZHCRVKCIB-ZBFHGGJFSA-N 1 0 399.329 2.866 20 0 GFADRO O=C(NCCC[NH+]1CCCCC1)N[C@@H](CO)c1ccc(Br)cc1 ZINC000504078862 565034924 /nfs/dbraw/zinc/03/49/24/565034924.db2.gz NBPQJURKUHBVAD-INIZCTEOSA-N 1 0 384.318 2.658 20 0 GFADRO O=C([C@@H]1CCCN(Cc2csc(-c3ccsc3)n2)C1)N1CC[NH2+]CC1 ZINC000469991053 565035013 /nfs/dbraw/zinc/03/50/13/565035013.db2.gz IFLJBLIPLMJEFD-CQSZACIVSA-N 1 0 376.551 2.515 20 0 GFADRO C[C@@H]1C[N@H+](CCCNC(=O)CCOc2cccc(Br)c2)CCCO1 ZINC000470084594 565037894 /nfs/dbraw/zinc/03/78/94/565037894.db2.gz ZJVJBBJFFWSKRS-OAHLLOKOSA-N 1 0 399.329 2.835 20 0 GFADRO COc1ccc(Br)c(CC(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)c1 ZINC000470095499 565038042 /nfs/dbraw/zinc/03/80/42/565038042.db2.gz ZTAQNULHAWFPCB-CQSZACIVSA-N 1 0 399.329 2.617 20 0 GFADRO C[C@@H]1C[N@H+](CCCNC(=O)CCc2cccc(Br)c2)CCCO1 ZINC000470091982 565038078 /nfs/dbraw/zinc/03/80/78/565038078.db2.gz JESXZCMWEOAQRE-OAHLLOKOSA-N 1 0 383.330 2.999 20 0 GFADRO C[NH+](C)Cc1ccc(CNS(=O)(=O)c2cnc3ccsc3c2)cc1F ZINC000536503067 565039384 /nfs/dbraw/zinc/03/93/84/565039384.db2.gz SISWPALKENKKCQ-UHFFFAOYSA-N 1 0 379.482 2.976 20 0 GFADRO Cc1cc(F)c(NC(=O)N(C)CC[NH+](C)C)c(I)c1 ZINC000536561957 565040960 /nfs/dbraw/zinc/04/09/60/565040960.db2.gz OHAVSJFSOVOMSP-UHFFFAOYSA-N 1 0 379.217 2.764 20 0 GFADRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)c2ccc(Br)cc2N)C1 ZINC000470271573 565042183 /nfs/dbraw/zinc/04/21/83/565042183.db2.gz VUSMFWVRWKMBMI-CQSZACIVSA-N 1 0 384.318 2.604 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(C(=O)Nc3ccn(-c4ccc(Cl)cc4Cl)n3)C[C@@H]21 ZINC000562888195 565046985 /nfs/dbraw/zinc/04/69/85/565046985.db2.gz FEMPZYWJMPUPMA-ABAIWWIYSA-N 1 0 380.279 3.347 20 0 GFADRO Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)[NH2+]C[C@@H]1CS(=O)(=O)CCO1 ZINC000536853364 565048266 /nfs/dbraw/zinc/04/82/66/565048266.db2.gz PPTKWRGQYBRSPF-IAQYHMDHSA-N 1 0 384.498 2.722 20 0 GFADRO CCOc1ccc(S(=O)(=O)NCCC[NH+](CC)CC)cc1Br ZINC000470563005 565049539 /nfs/dbraw/zinc/04/95/39/565049539.db2.gz KXGSBOUVLXAWSN-UHFFFAOYSA-N 1 0 393.347 2.858 20 0 GFADRO O=C(C[C@@H]1COCC[NH2+]1)N1CCCC[C@@H]1Cc1cccc(Br)c1 ZINC000562980754 565050803 /nfs/dbraw/zinc/05/08/03/565050803.db2.gz KCLVDPFQSQQTKJ-IAGOWNOFSA-N 1 0 381.314 2.751 20 0 GFADRO CC(C)OCC[C@@H](O)C[NH2+][C@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000563003465 565051431 /nfs/dbraw/zinc/05/14/31/565051431.db2.gz UELIHLQYQYSVMX-HIFRSBDPSA-N 1 0 375.296 2.864 20 0 GFADRO Cc1cc(N2CC[C@@H]([NH2+]C[C@@H](O)CC(F)(F)F)C2=O)ccc1Br ZINC000563013680 565052219 /nfs/dbraw/zinc/05/22/19/565052219.db2.gz LDYGWUCCTWEVRD-WCQYABFASA-N 1 0 395.219 2.766 20 0 GFADRO C[C@@H]([NH2+]C1CC1)C(=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000563034884 565052883 /nfs/dbraw/zinc/05/28/83/565052883.db2.gz LRDPLOXGTOYBLY-SNVBAGLBSA-N 1 0 376.810 2.543 20 0 GFADRO CC[NH2+]CCCNS(=O)(=O)c1cc(C(F)(F)F)ccc1Br ZINC000563118489 565056394 /nfs/dbraw/zinc/05/63/94/565056394.db2.gz YVPYDNIMFMDMGY-UHFFFAOYSA-N 1 0 389.237 2.746 20 0 GFADRO COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)N1C[C@@H](SC)[C@@H]([NH+](C)C)C1 ZINC000537276566 565056414 /nfs/dbraw/zinc/05/64/14/565056414.db2.gz UVPVEMDMILMPGF-YLQAJVPDSA-N 1 0 385.961 2.961 20 0 GFADRO [NH3+]CCCOC1CCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)CC1 ZINC000563121469 565056492 /nfs/dbraw/zinc/05/64/92/565056492.db2.gz YIQGNCFNKUJSQZ-UHFFFAOYSA-N 1 0 381.325 2.653 20 0 GFADRO [NH3+][C@@H]1CCC[C@H](CNS(=O)(=O)c2cc(Cl)ccc2Br)C1 ZINC000563130160 565056990 /nfs/dbraw/zinc/05/69/90/565056990.db2.gz UJVOABRAPCBYSH-GXSJLCMTSA-N 1 0 381.723 2.898 20 0 GFADRO C[C@H]1C[C@@H](NS(=O)(=O)Cc2cc(Cl)ccc2Br)CC[NH2+]1 ZINC000563138157 565057053 /nfs/dbraw/zinc/05/70/53/565057053.db2.gz RLNBBBHRHIESQU-CABZTGNLSA-N 1 0 381.723 2.662 20 0 GFADRO CN(C)C(=O)NCC[N@H+](C)CCOc1ccc(Cl)cc1Br ZINC000537525457 565059274 /nfs/dbraw/zinc/05/92/74/565059274.db2.gz RINPRSFISXSAKE-UHFFFAOYSA-N 1 0 378.698 2.684 20 0 GFADRO CN(C)C(=O)CN1CCC([NH2+][C@@H]2CCCc3ccc(Br)cc32)CC1 ZINC000537764012 565062588 /nfs/dbraw/zinc/06/25/88/565062588.db2.gz LEJMGSCVYLOWNH-GOSISDBHSA-N 1 0 394.357 2.969 20 0 GFADRO Cc1cc(Br)cn2cc(CNC(=O)C34CCC[NH+](CCC3)C4)nc12 ZINC000635796727 565076517 /nfs/dbraw/zinc/07/65/17/565076517.db2.gz DTKFVUMZRHIEFC-UHFFFAOYSA-N 1 0 391.313 2.897 20 0 GFADRO Brc1cccc(Br)c1OCCN1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000684617424 565076731 /nfs/dbraw/zinc/07/67/31/565076731.db2.gz SUXVCFFQMDPASH-QWRGUYRKSA-N 1 0 390.119 2.742 20 0 GFADRO COCC(=O)NC1CC[NH+](CCC(=O)Nc2c(Cl)cccc2Cl)CC1 ZINC000613688686 565077523 /nfs/dbraw/zinc/07/75/23/565077523.db2.gz VSQAXANFBIITDQ-UHFFFAOYSA-N 1 0 388.295 2.549 20 0 GFADRO C[C@H](C[C@@H]1CCOC1)[NH2+][C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000684676561 565079353 /nfs/dbraw/zinc/07/93/53/565079353.db2.gz BUVBFOHRFDPDML-WOPDTQHZSA-N 1 0 391.331 2.562 20 0 GFADRO C[C@H]1C[N@H+](CCCNc2ncnc3cc(F)c(Br)cc32)CCCO1 ZINC000584447461 565081104 /nfs/dbraw/zinc/08/11/04/565081104.db2.gz RICGVVREEMUYMT-LBPRGKRZSA-N 1 0 397.292 3.444 20 0 GFADRO CC(C)(C[NH+]1CCOCC1)C(=O)NCc1nc2cc(Br)ccc2o1 ZINC000635933029 565082054 /nfs/dbraw/zinc/08/20/54/565082054.db2.gz NKGBKSCFOPAZPJ-UHFFFAOYSA-N 1 0 396.285 2.565 20 0 GFADRO O[C@H](C[NH2+][C@@H]1CCN(C2CCCC2)C1)COc1cccc(Br)c1 ZINC000584524800 565085486 /nfs/dbraw/zinc/08/54/86/565085486.db2.gz JJSUOUYUBFHHQR-NVXWUHKLSA-N 1 0 383.330 2.795 20 0 GFADRO OCC[C@@H](C[NH2+]C[C@@H](O)COc1cccc(Br)c1)c1ccccc1 ZINC000584598040 565089246 /nfs/dbraw/zinc/08/92/46/565089246.db2.gz CZTVDAJFCQQPDU-FUHWJXTLSA-N 1 0 394.309 2.945 20 0 GFADRO C[NH+](C)[C@H]1C[C@H](NC(=O)c2cc(=O)c3cc(Br)ccc3[nH]2)C1(C)C ZINC000636093639 565089962 /nfs/dbraw/zinc/08/99/62/565089962.db2.gz XYOIJHVIHXJNRQ-HOTGVXAUSA-N 1 0 392.297 2.749 20 0 GFADRO O=S(=O)(NCCC[NH2+]Cc1[nH]nc2ccccc21)c1ccccc1Cl ZINC000684930040 565090258 /nfs/dbraw/zinc/09/02/58/565090258.db2.gz UNSFFPCVCWMHIW-UHFFFAOYSA-N 1 0 378.885 2.675 20 0 GFADRO COc1ccc(Br)cc1C1(C(=O)N2CCC3(C[NH+](C)C3)C2)CC1 ZINC000614034205 565091332 /nfs/dbraw/zinc/09/13/32/565091332.db2.gz VDCTXGMJPLIXFL-UHFFFAOYSA-N 1 0 379.298 2.653 20 0 GFADRO COCC[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)c2ccccc2Br)C1 ZINC000684966184 565091682 /nfs/dbraw/zinc/09/16/82/565091682.db2.gz DOQAZKVOWLZJKT-CQSZACIVSA-N 1 0 383.330 2.954 20 0 GFADRO CC(C)(C[NH+]1CCOCC1)C(=O)NCc1nc2ccc(Br)cc2o1 ZINC000636133218 565092535 /nfs/dbraw/zinc/09/25/35/565092535.db2.gz KBCXJMHWDTTZQE-UHFFFAOYSA-N 1 0 396.285 2.565 20 0 GFADRO Cc1ccc(S(=O)(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)c(Br)c1 ZINC000584713177 565093698 /nfs/dbraw/zinc/09/36/98/565093698.db2.gz QFUTULJNDSJTCZ-GOEBONIOSA-N 1 0 395.322 2.791 20 0 GFADRO C[NH+](C)C[C@]1(O)CCCN(C(=O)c2ccc(Br)c(Cl)c2)C1 ZINC000614067230 565093627 /nfs/dbraw/zinc/09/36/27/565093627.db2.gz QNPCAYXBEPRVIE-OAHLLOKOSA-N 1 0 375.694 2.631 20 0 GFADRO C[NH+](C)C[C@]1(O)CCCN(C(=O)c2cc3cc(Br)sc3[nH]2)C1 ZINC000614068710 565094522 /nfs/dbraw/zinc/09/45/22/565094522.db2.gz ONTLYPFBIZXZLQ-OAHLLOKOSA-N 1 0 386.315 2.521 20 0 GFADRO Cn1nc(C(F)(F)F)cc1C[NH2+]CCCS(=O)(=O)Cc1ccccc1 ZINC000657317291 565096236 /nfs/dbraw/zinc/09/62/36/565096236.db2.gz BJJAHAJTSOGQLA-UHFFFAOYSA-N 1 0 375.416 2.534 20 0 GFADRO CCOc1cc(C[NH2+]C[C@@H](OC)[C@H]2CCOC2)cc(Br)c1OC ZINC000657543193 565107440 /nfs/dbraw/zinc/10/74/40/565107440.db2.gz LEBDIKXFGFDBID-XJKSGUPXSA-N 1 0 388.302 2.998 20 0 GFADRO COCCN(CC[NH+](C)C)Cc1ncc(Br)cc1Br ZINC000685457466 565108098 /nfs/dbraw/zinc/10/80/98/565108098.db2.gz LEIJCDPYSRBVJO-UHFFFAOYSA-N 1 0 395.139 2.617 20 0 GFADRO C[C@@H](Cc1ccc(F)cc1)[NH2+]CCNC(=O)c1ccc(Br)cn1 ZINC000657563156 565108762 /nfs/dbraw/zinc/10/87/62/565108762.db2.gz HDCBFOJCDJAJTC-LBPRGKRZSA-N 1 0 380.261 2.934 20 0 GFADRO O=C(NCC[NH2+][C@@H]1CCC[C@H]([C@H]2CCOC2)C1)c1ccc(Br)cn1 ZINC000657564698 565109294 /nfs/dbraw/zinc/10/92/94/565109294.db2.gz VSSCPVVQGWLJHI-OFQRWUPVSA-N 1 0 396.329 2.759 20 0 GFADRO CN(CCC[NH+]1CCCC1)C(=O)c1cc(Br)cc2[nH]c(=O)[nH]c21 ZINC000614395145 565111027 /nfs/dbraw/zinc/11/10/27/565111027.db2.gz ZIQCRTBQKCERLA-UHFFFAOYSA-N 1 0 381.274 2.589 20 0 GFADRO CCC(F)(F)C(C)(C)CNC(=O)C(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000636457904 565112440 /nfs/dbraw/zinc/11/24/40/565112440.db2.gz PBJOCTMFJOYOQC-GFCCVEGCSA-N 1 0 375.485 2.655 20 0 GFADRO O=C(c1cccc(F)c1Br)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000614452148 565113207 /nfs/dbraw/zinc/11/32/07/565113207.db2.gz UFOYPYSUHCXUNK-CYBMUJFWSA-N 1 0 385.277 2.915 20 0 GFADRO CCn1cc(Br)cc1C(=O)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000614441054 565113447 /nfs/dbraw/zinc/11/34/47/565113447.db2.gz XIXOMNGWWVJWDV-OAHLLOKOSA-N 1 0 384.318 2.597 20 0 GFADRO CC[NH+](CC)CCS(=O)(=O)N(C)Cc1ccc(F)cc1Br ZINC000685597921 565114647 /nfs/dbraw/zinc/11/46/47/565114647.db2.gz YPECFJGIJLPCLS-UHFFFAOYSA-N 1 0 381.311 2.692 20 0 GFADRO CC(C)C[C@@H](C[NH2+]Cc1cn2ccc(Br)cc2n1)N1CCOCC1 ZINC000685612644 565115637 /nfs/dbraw/zinc/11/56/37/565115637.db2.gz MBXFBJOVAVGNGQ-KRWDZBQOSA-N 1 0 395.345 2.933 20 0 GFADRO COC(=O)C[C@](C)([NH2+]Cc1ccn(C)c(=O)c1)c1ccc(Br)cc1 ZINC000586782535 565116701 /nfs/dbraw/zinc/11/67/01/565116701.db2.gz NOHRBPJOCRMCNQ-SFHVURJKSA-N 1 0 393.281 2.716 20 0 GFADRO CN(Cc1cccc(Br)c1)C(=O)NCC(C)(C)N1CC[NH+](C)CC1 ZINC000586788832 565117276 /nfs/dbraw/zinc/11/72/76/565117276.db2.gz KGJRIDASLBYDCV-UHFFFAOYSA-N 1 0 397.361 2.617 20 0 GFADRO C[C@H](NC(=O)NCC1CC[NH+](Cc2cccs2)CC1)[C@H](O)C(F)(F)F ZINC000636676836 565119925 /nfs/dbraw/zinc/11/99/25/565119925.db2.gz CXEIWACLUGUPQM-FZMZJTMJSA-N 1 0 379.448 2.571 20 0 GFADRO COc1sc(C[NH2+]C2CCN([C@@H]3CCOC3)CC2)cc1Br ZINC000657750400 565125894 /nfs/dbraw/zinc/12/58/94/565125894.db2.gz JJNKFYUDBPLYAR-GFCCVEGCSA-N 1 0 375.332 2.862 20 0 GFADRO CS[C@@H]1CN(S(=O)(=O)c2c(Cl)ccc(F)c2F)C[C@H]1[NH+]1CCCC1 ZINC000588130586 565127415 /nfs/dbraw/zinc/12/74/15/565127415.db2.gz ZJSNRAZKEMZSAO-CHWSQXEVSA-N 1 0 396.912 2.819 20 0 GFADRO CCS(=O)(=O)C1(C[NH2+]Cc2cc(Cl)ccc2OC[C@H]2CCCO2)CC1 ZINC000657759711 565127730 /nfs/dbraw/zinc/12/77/30/565127730.db2.gz UUQCPUHTNBTPPY-MRXNPFEDSA-N 1 0 387.929 2.955 20 0 GFADRO CN(CCC[NH2+]CC1=Cc2cc(Cl)cc(Cl)c2OC1)S(C)(=O)=O ZINC000588177687 565130194 /nfs/dbraw/zinc/13/01/94/565130194.db2.gz YOERLVJWRFVKBM-UHFFFAOYSA-N 1 0 379.309 2.640 20 0 GFADRO CC[C@H](Cc1ccc(Br)cc1)[NH2+][C@H]1CCCN(S(C)(=O)=O)C1 ZINC000657858897 565133465 /nfs/dbraw/zinc/13/34/65/565133465.db2.gz MNSCPMJUISXKOJ-CVEARBPZSA-N 1 0 389.359 2.784 20 0 GFADRO COC[C@@H](CC1CCOCC1)[NH2+]CC(=O)Nc1ccc(Br)cc1 ZINC000657853339 565133800 /nfs/dbraw/zinc/13/38/00/565133800.db2.gz PTUPLABMNUIGMS-MRXNPFEDSA-N 1 0 385.302 2.809 20 0 GFADRO CC[C@@H]([NH2+][C@@H](CC)Cc1ccc(Br)cc1)C(=O)N1CCOCC1 ZINC000657901902 565135662 /nfs/dbraw/zinc/13/56/62/565135662.db2.gz INZBXCAVMDXIOI-DLBZAZTESA-N 1 0 383.330 2.997 20 0 GFADRO C[C@@H](CNS(=O)(=O)c1cc2c(cc1Cl)OCCO2)[N@@H+]1CCC[C@@H](C)C1 ZINC000588678601 565137016 /nfs/dbraw/zinc/13/70/16/565137016.db2.gz QIVSEFMVTJXVMU-OLZOCXBDSA-N 1 0 388.917 2.510 20 0 GFADRO C[NH+]1CCC2(CCN(C(=O)C3(c4cncc(Br)c4)CC3)C2)CC1 ZINC000614964401 565140584 /nfs/dbraw/zinc/14/05/84/565140584.db2.gz ZFNSSJJEZWIZIV-UHFFFAOYSA-N 1 0 378.314 2.820 20 0 GFADRO C[C@@H](Cc1ccc(Cl)c(C(F)(F)F)c1)[NH2+]CC1CN(S(C)(=O)=O)C1 ZINC000657980642 565142324 /nfs/dbraw/zinc/14/23/24/565142324.db2.gz OMGYOGASANJLKL-JTQLQIEISA-N 1 0 384.851 2.771 20 0 GFADRO COC[C@@](C)(O)CCNC(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000637181633 565143247 /nfs/dbraw/zinc/14/32/47/565143247.db2.gz IFXVFWYWLJNNJH-WBVHZDCISA-N 1 0 392.327 2.683 20 0 GFADRO C[NH+](C)C[C@H](NC(=O)NCc1ccc(=O)[nH]n1)c1ccc(Cl)c(Cl)c1 ZINC000637178428 565143688 /nfs/dbraw/zinc/14/36/88/565143688.db2.gz KCOWYMNAAABWRH-AWEZNQCLSA-N 1 0 384.267 2.591 20 0 GFADRO C[C@H]1COCC[N@@H+]1C1CCN(C(=O)Cc2cc(Br)ccc2F)CC1 ZINC000615089274 565145118 /nfs/dbraw/zinc/14/51/18/565145118.db2.gz IRCXHFONTWUNJZ-ZDUSSCGKSA-N 1 0 399.304 2.842 20 0 GFADRO Cc1c(Br)cccc1NC(=O)NCC(C)(C)N1CC[NH+](C)CC1 ZINC000588945157 565145545 /nfs/dbraw/zinc/14/55/45/565145545.db2.gz FGICDQJTXIDOTH-UHFFFAOYSA-N 1 0 383.334 2.905 20 0 GFADRO O=C(NCC[NH2+][C@H]1CCCc2c(O)cccc21)c1ccc(Br)cn1 ZINC000658096533 565150056 /nfs/dbraw/zinc/15/00/56/565150056.db2.gz QWMZRZJMHKAMPC-HNNXBMFYSA-N 1 0 390.281 2.947 20 0 GFADRO Cc1ccc(NC(=O)C(=O)NC[C@H]2CC[N@@H+](C(C)(C)C)C2)c(Br)c1 ZINC000658119197 565150374 /nfs/dbraw/zinc/15/03/74/565150374.db2.gz KSSIABQPPVSYQE-CYBMUJFWSA-N 1 0 396.329 2.933 20 0 GFADRO C[NH+]1CCC(O)(CNC(=O)NCC/C=C\c2ccc(Br)cc2)CC1 ZINC000637335511 565150880 /nfs/dbraw/zinc/15/08/80/565150880.db2.gz WNAWUUUMJAQURN-RQOWECAXSA-N 1 0 396.329 2.608 20 0 GFADRO OCCO[C@@]1(C[NH2+][C@H](c2ccco2)c2ccc(Br)cc2)CCOC1 ZINC000658143920 565153657 /nfs/dbraw/zinc/15/36/57/565153657.db2.gz JOMOAVPHDVKSRY-ZWKOTPCHSA-N 1 0 396.281 2.889 20 0 GFADRO CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+]CCO[C@H]2CC2(F)F)cc1 ZINC000658165520 565154939 /nfs/dbraw/zinc/15/49/39/565154939.db2.gz KWMLYHBXFATDCU-CJNGLKHVSA-N 1 0 376.469 2.792 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCc2cc(Br)cnc2OC)C[C@@H]1C ZINC000637407133 565155496 /nfs/dbraw/zinc/15/54/96/565155496.db2.gz SSWISNNKVPXAKK-SWLSCSKDSA-N 1 0 399.333 2.867 20 0 GFADRO Cc1ccc(Br)c(NC(=O)C(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)c1 ZINC000658263513 565157148 /nfs/dbraw/zinc/15/71/48/565157148.db2.gz KPYZCSFEWVXMDM-LBPRGKRZSA-N 1 0 382.302 2.685 20 0 GFADRO Cc1ccc(NC(=O)C(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)cc1Br ZINC000658262369 565158022 /nfs/dbraw/zinc/15/80/22/565158022.db2.gz SOHDZFYVWYTBDL-ZDUSSCGKSA-N 1 0 382.302 2.685 20 0 GFADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]Cc1c(C2CCC2)cnn1C ZINC000658269262 565158057 /nfs/dbraw/zinc/15/80/57/565158057.db2.gz VLKQMFGJBCPURA-GFCCVEGCSA-N 1 0 379.302 2.790 20 0 GFADRO CCCOc1ccc(Br)cc1S(=O)(=O)NCCC[NH2+]C(C)C ZINC000658367097 565162282 /nfs/dbraw/zinc/16/22/82/565162282.db2.gz JGPHGLVJAGLUNE-UHFFFAOYSA-N 1 0 393.347 2.904 20 0 GFADRO C[NH2+]CCC1CCN(S(=O)(=O)Cc2cc(F)ccc2Br)CC1 ZINC000658377336 565163815 /nfs/dbraw/zinc/16/38/15/565163815.db2.gz PNGVEPDTMMOVQO-UHFFFAOYSA-N 1 0 393.322 2.740 20 0 GFADRO C[NH+](C)CC1CN(C(=O)C2(c3ccc(Br)cc3)CCOCC2)C1 ZINC000615510448 565164243 /nfs/dbraw/zinc/16/42/43/565164243.db2.gz JDVVOQRTNLCBHI-UHFFFAOYSA-N 1 0 381.314 2.517 20 0 GFADRO CCCOc1ccc(Br)cc1S(=O)(=O)NC[C@@H](C)[NH2+]CC ZINC000658377473 565164974 /nfs/dbraw/zinc/16/49/74/565164974.db2.gz GDQGTKTWAIFQOA-LLVKDONJSA-N 1 0 379.320 2.514 20 0 GFADRO [NH3+]C[C@]12CCC[C@H]1CN(S(=O)(=O)c1cc(Cl)cc(Br)c1)C2 ZINC000658384269 565165875 /nfs/dbraw/zinc/16/58/75/565165875.db2.gz XMXVETLPEMMUCQ-HZMBPMFUSA-N 1 0 393.734 2.852 20 0 GFADRO [NH3+]CC12CC(C1)CN2S(=O)(=O)c1ccc(Br)c(C(F)(F)F)c1 ZINC000658396995 565166968 /nfs/dbraw/zinc/16/69/68/565166968.db2.gz OETPXDUBZAPTNP-UHFFFAOYSA-N 1 0 399.232 2.580 20 0 GFADRO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NS(=O)(=O)c2cc(C)cs2)cc1F ZINC000658392918 565167084 /nfs/dbraw/zinc/16/70/84/565167084.db2.gz TYWQDZFNSJIWQE-ZFWWWQNUSA-N 1 0 384.498 2.628 20 0 GFADRO CSc1ccc(S(=O)(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)cc1 ZINC000658391403 565167173 /nfs/dbraw/zinc/16/71/73/565167173.db2.gz FLVIIEJFHOCQLP-QZTJIDSGSA-N 1 0 380.510 2.972 20 0 GFADRO Cc1c(Br)cccc1CS(=O)(=O)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000658403069 565167756 /nfs/dbraw/zinc/16/77/56/565167756.db2.gz ZDRGKWLBJQXUSR-CQSZACIVSA-N 1 0 387.343 2.852 20 0 GFADRO O=S(=O)(NCC12CC(C1)C[NH2+]2)c1ccc2cc(Br)ccc2c1 ZINC000658404736 565168155 /nfs/dbraw/zinc/16/81/55/565168155.db2.gz WWRXPGDIGBXMAK-UHFFFAOYSA-N 1 0 381.295 2.633 20 0 GFADRO C[C@@H]1CCN(S(=O)(=O)c2cc(Br)sc2Cl)[C@H](C[NH3+])C1 ZINC000658400558 565168416 /nfs/dbraw/zinc/16/84/16/565168416.db2.gz JEQGWYNCNDLTPU-SFYZADRCSA-N 1 0 387.752 2.912 20 0 GFADRO O=C(N[C@@H]1CCC[N@@H+](CCCO)C1)c1c(Cl)cccc1Br ZINC000615660277 565168501 /nfs/dbraw/zinc/16/85/01/565168501.db2.gz SPIBNXMAWFJIHG-LLVKDONJSA-N 1 0 375.694 2.679 20 0 GFADRO O=C(NC[C@H]1CCCC[N@H+]1CCO)c1cc2cc(Br)sc2[nH]1 ZINC000615657277 565168688 /nfs/dbraw/zinc/16/86/88/565168688.db2.gz QPYFPZRFCKSGPA-LLVKDONJSA-N 1 0 386.315 2.569 20 0 GFADRO CC(C)(Oc1ccc(Br)cc1)C(=O)NC[C@@H]1CCCC[N@@H+]1CCO ZINC000615656914 565169435 /nfs/dbraw/zinc/16/94/35/565169435.db2.gz JMARHVROWDWBFS-HNNXBMFYSA-N 1 0 399.329 2.570 20 0 GFADRO CCN(C(=O)C(=O)Nc1cc(Br)ccc1C)[C@@H]1CC[N@H+](CC)C1 ZINC000658467525 565171235 /nfs/dbraw/zinc/17/12/35/565171235.db2.gz OAMPGIOYTYGQSU-CQSZACIVSA-N 1 0 382.302 2.639 20 0 GFADRO CCN(C(=O)C(=O)Nc1cccc(Br)c1C)[C@H]1CC[N@H+](CC)C1 ZINC000658467578 565171252 /nfs/dbraw/zinc/17/12/52/565171252.db2.gz PQURZFVBDWYWCC-ZDUSSCGKSA-N 1 0 382.302 2.639 20 0 GFADRO CCN(C(=O)C(=O)Nc1cc(Br)c(C)cc1C)[C@@H]1CC[N@H+](CC)C1 ZINC000658468158 565171580 /nfs/dbraw/zinc/17/15/80/565171580.db2.gz LNVSOUYGOQHEJM-CQSZACIVSA-N 1 0 396.329 2.947 20 0 GFADRO Cc1cc(Br)c(C(=O)N[C@H](C[NH3+])C2CC2)cc1Br ZINC000637855403 565174440 /nfs/dbraw/zinc/17/44/40/565174440.db2.gz VTABSRQMWJMPSU-GFCCVEGCSA-N 1 0 376.092 2.987 20 0 GFADRO C[N@@H+](Cc1ccccc1)C[C@H](N)C(=O)NCc1ccc(Br)s1 ZINC000637931538 565176908 /nfs/dbraw/zinc/17/69/08/565176908.db2.gz NBTRSFLYEIHUDY-AWEZNQCLSA-N 1 0 382.327 2.586 20 0 GFADRO O=C(NCc1c(Cl)cccc1Cl)c1nnn([C@@H]2CC[NH2+]C2)c1C(F)F ZINC000637923096 565177189 /nfs/dbraw/zinc/17/71/89/565177189.db2.gz YENCCEUEMYOJJS-MRVPVSSYSA-N 1 0 390.221 2.987 20 0 GFADRO COc1ccc(Br)c(NC(=O)[C@H](N)C[N@H+](C)Cc2ccccc2)c1 ZINC000637953552 565178142 /nfs/dbraw/zinc/17/81/42/565178142.db2.gz USZGSESRSNHEFR-MRXNPFEDSA-N 1 0 392.297 2.856 20 0 GFADRO COc1cccc(C[C@@H]([NH3+])C(=O)N2CCc3c(Br)cccc3C2)c1 ZINC000637970836 565178801 /nfs/dbraw/zinc/17/88/01/565178801.db2.gz WATFAIOPFNORED-GOSISDBHSA-N 1 0 389.293 2.912 20 0 GFADRO [NH3+]Cc1ncc(C(=O)NCC2(c3ccc(Br)cc3)CCCC2)cn1 ZINC000638011773 565181614 /nfs/dbraw/zinc/18/16/14/565181614.db2.gz YXMXGKNTHWLYHO-UHFFFAOYSA-N 1 0 389.297 2.940 20 0 GFADRO Cc1cc(C[NH3+])oc1C(=O)N1CCN(Cc2ccc(Br)s2)CC1 ZINC000638054576 565182746 /nfs/dbraw/zinc/18/27/46/565182746.db2.gz XPEXASVNIVEJNT-UHFFFAOYSA-N 1 0 398.326 2.829 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)[C@@H]3[C@@H]4Cc5cc(Br)ccc5[C@@H]43)C[C@H]21 ZINC000638163469 565187937 /nfs/dbraw/zinc/18/79/37/565187937.db2.gz FRDBDVIERDWWNU-KBDMKVANSA-N 1 0 375.310 2.921 20 0 GFADRO [NH3+]C[C@@]1(C(=O)NCCc2cc(Cl)ccc2Br)CCCOC1 ZINC000638309869 565191077 /nfs/dbraw/zinc/19/10/77/565191077.db2.gz QDHXGDWHTOXBAG-HNNXBMFYSA-N 1 0 375.694 2.517 20 0 GFADRO CN1CC[C@@H]([NH2+]CCNC(=O)C2CC2)C[C@@H]1c1ccc(Br)cc1 ZINC000638296041 565191319 /nfs/dbraw/zinc/19/13/19/565191319.db2.gz DFGFWKVQGXGELS-IAGOWNOFSA-N 1 0 380.330 2.700 20 0 GFADRO COc1cc(C(=O)N2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)ccc1Br ZINC000638345619 565192988 /nfs/dbraw/zinc/19/29/88/565192988.db2.gz XBGVLWLNPUVLOE-GOEBONIOSA-N 1 0 397.313 2.816 20 0 GFADRO C[C@H]1CC2(CN1C(=O)c1ccc3cncc(Br)c3n1)CC[NH2+]CC2 ZINC000638367442 565193538 /nfs/dbraw/zinc/19/35/38/565193538.db2.gz VAXXZNHGHCWWMY-LBPRGKRZSA-N 1 0 389.297 2.997 20 0 GFADRO C[C@@H]1CCN(C(=O)[C@H]2CCCN2C(=O)c2ccc(Cl)c(Cl)c2)C[C@@H]1[NH3+] ZINC000658970414 565197356 /nfs/dbraw/zinc/19/73/56/565197356.db2.gz HQTFTEGMAQSUIL-XFBWCDHKSA-N 1 0 384.307 2.794 20 0 GFADRO O=C(C[C@@H]1C[NH2+]CCO1)N1CC[C@@H](Sc2ccc(Br)cc2)C1 ZINC000638473311 565198241 /nfs/dbraw/zinc/19/82/41/565198241.db2.gz JYIQXNAATGHITP-UKRRQHHQSA-N 1 0 385.327 2.521 20 0 GFADRO [NH3+]CC12CC(C1)CN2C(=O)Nc1ccnn1Cc1ccccc1Br ZINC000659009514 565199125 /nfs/dbraw/zinc/19/91/25/565199125.db2.gz GCDVKADKCJZHCG-UHFFFAOYSA-N 1 0 390.285 2.649 20 0 GFADRO C[NH+](C)C1CCC(NC(=O)c2cc(Br)cc3c2OCCO3)CC1 ZINC000616382688 565199332 /nfs/dbraw/zinc/19/93/32/565199332.db2.gz QWNHBJCQNUHACO-UHFFFAOYSA-N 1 0 383.286 2.823 20 0 GFADRO [NH3+]CC[C@@H](NC(=O)NC[C@@H]1CCN(c2ccccc2Cl)C1)C(F)(F)F ZINC000659024188 565199350 /nfs/dbraw/zinc/19/93/50/565199350.db2.gz XGRKCMQTJMWXLB-SMDDNHRTSA-N 1 0 378.826 2.745 20 0 GFADRO C[C@@H](NC(=O)C[NH2+]C[C@@H]1CCCO1)c1cc(F)c(Br)cc1F ZINC000638495120 565199504 /nfs/dbraw/zinc/19/95/04/565199504.db2.gz MCROASRZMDFVQX-ZJUUUORDSA-N 1 0 377.229 2.673 20 0 GFADRO Cc1nccc(NC(=O)N2CCC([C@@H]3CCC[NH2+]C3)CC2)c1Br ZINC000659010762 565199633 /nfs/dbraw/zinc/19/96/33/565199633.db2.gz ZGVZPQLQBVOXTJ-CQSZACIVSA-N 1 0 381.318 2.818 20 0 GFADRO COc1cc(NC(=O)NC[C@@H]2C[NH2+]CCCO2)c(Cl)cc1Br ZINC000659047130 565199704 /nfs/dbraw/zinc/19/97/04/565199704.db2.gz DNQSVGZFLRMDOK-VIFPVBQESA-N 1 0 392.681 2.611 20 0 GFADRO O=C(N[C@@H]1C[NH2+]C[C@H]1c1ccccc1)c1cc2c(cc1Br)OCO2 ZINC000638528383 565200204 /nfs/dbraw/zinc/20/02/04/565200204.db2.gz BWIVABNMMOCJKQ-DZGCQCFKSA-N 1 0 389.249 2.663 20 0 GFADRO C[NH2+][C@@H]1CCCN(C(=O)C(=O)Nc2cc(Cl)c(Br)cc2C)C1 ZINC000659079363 565200209 /nfs/dbraw/zinc/20/02/09/565200209.db2.gz SNJCHTZCGXLMAT-SNVBAGLBSA-N 1 0 388.693 2.560 20 0 GFADRO COCC1(C(=O)N2CC3(CC3)c3ccc(Br)cc32)CC[NH2+]CC1 ZINC000638536595 565200462 /nfs/dbraw/zinc/20/04/62/565200462.db2.gz PLSPPYQRARQNSP-UHFFFAOYSA-N 1 0 379.298 2.844 20 0 GFADRO COc1nsc(CNCC2([NH+]3CCCC3)CCOCC2)c1Br ZINC000638555954 565201757 /nfs/dbraw/zinc/20/17/57/565201757.db2.gz HZUSQBGXCJWTIO-UHFFFAOYSA-N 1 0 390.347 2.649 20 0 GFADRO O=C(C[C@H]1C[NH2+]CCO1)N[C@H]1CCCSc2ccc(Br)cc21 ZINC000638585496 565202894 /nfs/dbraw/zinc/20/28/94/565202894.db2.gz ZRJSSVMULUCEMD-JSGCOSHPSA-N 1 0 385.327 2.871 20 0 GFADRO CO[C@@H](C[NH3+])CC(=O)N[C@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC000638596151 565204103 /nfs/dbraw/zinc/20/41/03/565204103.db2.gz MIXLYGPCNWUULZ-ABAIWWIYSA-N 1 0 380.286 2.788 20 0 GFADRO O=C(C[C@H]1C[NH2+]CCO1)N[C@@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC000638597305 565204736 /nfs/dbraw/zinc/20/47/36/565204736.db2.gz XINSBHSHAOBVGY-BLLLJJGKSA-N 1 0 392.297 2.803 20 0 GFADRO O=C(N[C@H]1CCC[N@@H+]2CCCC[C@H]12)c1cc(Br)cc2c1OCCO2 ZINC000616717175 565206382 /nfs/dbraw/zinc/20/63/82/565206382.db2.gz HHHZMDAJVROXRT-LSDHHAIUSA-N 1 0 395.297 2.967 20 0 GFADRO O=C(NCCc1cc(Cl)cc(Cl)c1)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000590863808 565207655 /nfs/dbraw/zinc/20/76/55/565207655.db2.gz XZJZMRCGNOLGRD-DLBZAZTESA-N 1 0 386.323 2.777 20 0 GFADRO O=C(Cc1ccc(Br)c(Br)c1)NCC[NH2+]C1CC1 ZINC000659294045 565211336 /nfs/dbraw/zinc/21/13/36/565211336.db2.gz GNGZABWIJJMTLJ-UHFFFAOYSA-N 1 0 376.092 2.622 20 0 GFADRO CN(C(=O)Cc1ccc(Br)c(Br)c1)[C@H]1CC[NH2+]C1 ZINC000659296783 565211910 /nfs/dbraw/zinc/21/19/10/565211910.db2.gz PIMKXYPIFVBKIR-JTQLQIEISA-N 1 0 376.092 2.574 20 0 GFADRO O=C(Nc1cnc2c(c1)C[NH2+]CC2)c1cc(Br)cc2c1OCCO2 ZINC000659301230 565212014 /nfs/dbraw/zinc/21/20/14/565212014.db2.gz FVXULKFKCVOOLL-UHFFFAOYSA-N 1 0 390.237 2.513 20 0 GFADRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)Cc1ccc(Br)c(Br)c1 ZINC000659302225 565212106 /nfs/dbraw/zinc/21/21/06/565212106.db2.gz NSFFWKBXVDYYCL-GXSJLCMTSA-N 1 0 390.119 2.950 20 0 GFADRO O=C(CN1CC[NH2+]CC1)Nc1nc([C@H]2CCC[C@H](C(F)(F)F)C2)cs1 ZINC000638826597 565213084 /nfs/dbraw/zinc/21/30/84/565213084.db2.gz QICWQWQRMVINHC-RYUDHWBXSA-N 1 0 376.448 2.823 20 0 GFADRO [NH3+]C1(C(=O)N[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)CC2(CCC2)C1 ZINC000659316212 565213210 /nfs/dbraw/zinc/21/32/10/565213210.db2.gz FGFGEKOREWIEEU-CQSZACIVSA-N 1 0 382.291 2.877 20 0 GFADRO CC(C)([NH3+])c1nocc1C(=O)N[C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21 ZINC000638832045 565213977 /nfs/dbraw/zinc/21/39/77/565213977.db2.gz OVNTXWZNLHLOLW-DDTOSNHZSA-N 1 0 376.254 2.699 20 0 GFADRO O=C(COc1ccccc1Br)NCc1cccc2c1CC[NH2+]C2 ZINC000638845440 565213998 /nfs/dbraw/zinc/21/39/98/565213998.db2.gz PNBCRWRWHLXSPE-UHFFFAOYSA-N 1 0 375.266 2.790 20 0 GFADRO O=C(C[C@H]1CC[NH2+]C1)N1CC2(CCOCC2)c2ccc(Br)cc21 ZINC000638842084 565214183 /nfs/dbraw/zinc/21/41/83/565214183.db2.gz LIWZYLNTLZWFHH-CYBMUJFWSA-N 1 0 379.298 2.844 20 0 GFADRO CNc1cc(I)ccc1C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000591056190 565214451 /nfs/dbraw/zinc/21/44/51/565214451.db2.gz LXPDVDVRAKEIQB-CYBMUJFWSA-N 1 0 399.276 2.547 20 0 GFADRO [NH3+]C1(C(=O)N2CCc3sc(Br)cc3C2)Cc2ccccc2C1 ZINC000659369598 565215252 /nfs/dbraw/zinc/21/52/52/565215252.db2.gz VFILFUVWDBOUBD-UHFFFAOYSA-N 1 0 377.307 2.892 20 0 GFADRO [NH3+][C@H](CCNC(=O)c1cc2c(cc1Br)OCO2)Cc1ccccc1 ZINC000638882585 565215750 /nfs/dbraw/zinc/21/57/50/565215750.db2.gz ULRVJZPDGKSZHW-CYBMUJFWSA-N 1 0 391.265 2.868 20 0 GFADRO CN1CC[C@H]([NH2+][C@H]2CC(=O)N(C3CC3)C2)C[C@@H]1c1ccc(Br)cc1 ZINC000638897261 565216704 /nfs/dbraw/zinc/21/67/04/565216704.db2.gz DWNSZWSOWXWSDN-XYJFISCASA-N 1 0 392.341 2.937 20 0 GFADRO CO[C@@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)NCC12CC(C1)C[NH2+]2 ZINC000659477502 565217542 /nfs/dbraw/zinc/21/75/42/565217542.db2.gz JOIIEOZTPIVTDI-FGUMPLJBSA-N 1 0 382.302 2.576 20 0 GFADRO C[C@H]1C[C@H]([NH3+])CN1C(=O)CCc1ncc(-c2ccccc2Br)o1 ZINC000638933357 565217614 /nfs/dbraw/zinc/21/76/14/565217614.db2.gz BPQXZYHDLRKBDQ-RYUDHWBXSA-N 1 0 378.270 2.985 20 0 GFADRO CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000659478305 565217973 /nfs/dbraw/zinc/21/79/73/565217973.db2.gz RUFUHAQSTKOEJZ-QOWREQOWSA-N 1 0 388.281 2.606 20 0 GFADRO CC(C)[NH2+]CCCNC(=O)N1CCN(c2ccc(Br)cc2)CC1 ZINC000659512553 565219329 /nfs/dbraw/zinc/21/93/29/565219329.db2.gz PUSFBBPDUOBNGF-UHFFFAOYSA-N 1 0 383.334 2.669 20 0 GFADRO [NH3+]C[C@@H]1CC[C@H](NC(=O)N2CCOC[C@H]2c2ccc(Br)cc2)C1 ZINC000659555325 565219935 /nfs/dbraw/zinc/21/99/35/565219935.db2.gz PSGMUPUXDKICPQ-KCXAZCMYSA-N 1 0 382.302 2.659 20 0 GFADRO COc1ccc(C(=O)Nc2cc(N3CC[NH2+]CC3)ccn2)cc1Br ZINC000638986839 565220054 /nfs/dbraw/zinc/22/00/54/565220054.db2.gz DWNLPTCYJHQNQT-UHFFFAOYSA-N 1 0 391.269 2.515 20 0 GFADRO COC(=O)c1cc(NC(=O)N2C[C@H](C)[NH2+]C[C@H]2C)c(Br)cc1F ZINC000591287242 565220800 /nfs/dbraw/zinc/22/08/00/565220800.db2.gz GPBNKOYISNSSBA-DTWKUNHWSA-N 1 0 388.237 2.589 20 0 GFADRO [NH3+]C1(CNC(=O)N2CCOC[C@@H]2c2ccc(Br)cc2)CCCC1 ZINC000659575641 565221522 /nfs/dbraw/zinc/22/15/22/565221522.db2.gz RSSOEKHAEOWSET-OAHLLOKOSA-N 1 0 382.302 2.804 20 0 GFADRO COC(=O)c1cc(NC(=O)N2CC[C@H]([NH3+])[C@H](C)C2)c(Br)cc1F ZINC000591287269 565221859 /nfs/dbraw/zinc/22/18/59/565221859.db2.gz KEWLAXSCHJYTQP-PELKAZGASA-N 1 0 388.237 2.576 20 0 GFADRO O=C(NCC[NH2+]C1CC1)Nc1ccc(Cl)cc1I ZINC000591289280 565222033 /nfs/dbraw/zinc/22/20/33/565222033.db2.gz CXGMXKSSEIHVQC-UHFFFAOYSA-N 1 0 379.629 2.818 20 0 GFADRO COC(=O)c1cc(NC(=O)N[C@@H]2CCC[NH2+]CC2)c(Br)cc1F ZINC000591287302 565222052 /nfs/dbraw/zinc/22/20/52/565222052.db2.gz LELZJDFSUVYRDK-SECBINFHSA-N 1 0 388.237 2.638 20 0 GFADRO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N(Cc1ccc(Br)cc1)C(C)C ZINC000659743805 565222141 /nfs/dbraw/zinc/22/21/41/565222141.db2.gz BFNJEMOLCUWQPD-MRXNPFEDSA-N 1 0 398.345 2.676 20 0 GFADRO [NH3+]C1(CNC(=O)C(=O)N(Cc2ccc(Cl)c(Cl)c2)C2CC2)CCCC1 ZINC000659734118 565222215 /nfs/dbraw/zinc/22/22/15/565222215.db2.gz LRMMDEXOISZWOJ-UHFFFAOYSA-N 1 0 384.307 2.872 20 0 GFADRO COC(=O)c1c(Br)ccc(NC(=O)NC[C@@H]2CCCC[NH2+]2)c1C ZINC000591301982 565222439 /nfs/dbraw/zinc/22/24/39/565222439.db2.gz BSWLZTJMJLRVAM-NSHDSACASA-N 1 0 384.274 2.808 20 0 GFADRO CO[C@H](C[NH2+]CCc1cn2cc(Br)cc(C)c2n1)[C@@H]1CCOC1 ZINC000639063548 565223091 /nfs/dbraw/zinc/22/30/91/565223091.db2.gz XUZUMDARTLDOLM-CZUORRHYSA-N 1 0 382.302 2.589 20 0 GFADRO COc1cc(Br)ccc1[C@@H](C)[NH2+]Cc1ccc(S(N)(=O)=O)cc1 ZINC000639093799 565225249 /nfs/dbraw/zinc/22/52/49/565225249.db2.gz AQPSEOVCHKFESF-LLVKDONJSA-N 1 0 399.310 2.956 20 0 GFADRO C[C@@H]1OCC[C@]1(O)C[NH2+][C@@H]1CCN(C)[C@H](c2ccc(Br)cc2)C1 ZINC000639116197 565227192 /nfs/dbraw/zinc/22/71/92/565227192.db2.gz STIUDMXXPIOYMY-NBMRYCAZSA-N 1 0 383.330 2.714 20 0 GFADRO CCn1ncnc1C[NH2+][C@H]1CCN(C)[C@@H](c2ccc(Br)cc2)C1 ZINC000639125111 565227758 /nfs/dbraw/zinc/22/77/58/565227758.db2.gz OXRSLIHSUKGCPG-JKSUJKDBSA-N 1 0 378.318 2.986 20 0 GFADRO CS(=O)(=O)C1(C[NH2+]Cc2c(C(F)(F)F)nc3n2CCCC3)CCCC1 ZINC000639164081 565230518 /nfs/dbraw/zinc/23/05/18/565230518.db2.gz NAZCUWVQXVVBKJ-UHFFFAOYSA-N 1 0 379.448 2.685 20 0 GFADRO C[NH+](C)CCN(Cc1ccco1)Cc1cnn2cc(Br)cnc12 ZINC000639174207 565230826 /nfs/dbraw/zinc/23/08/26/565230826.db2.gz RWJCLXKWVRBVDF-UHFFFAOYSA-N 1 0 378.274 2.649 20 0 GFADRO O=C1N[C@@H]2CCCC[C@H]2C[C@@H]1[NH+]1CCC(n2cc(Br)cn2)CC1 ZINC000659917297 565232047 /nfs/dbraw/zinc/23/20/47/565232047.db2.gz STRLVWPYUUUTRU-MAZHCROVSA-N 1 0 381.318 2.730 20 0 GFADRO Fc1ccc2c(c1)C[C@@H]([NH2+]Cc1cnn3cc(Br)cnc13)CO2 ZINC000639192264 565232314 /nfs/dbraw/zinc/23/23/14/565232314.db2.gz MADKRKLKPPQIGO-CQSZACIVSA-N 1 0 377.217 2.724 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCO[C@H]2c2cncc(Br)c2)C1 ZINC000617341752 565232524 /nfs/dbraw/zinc/23/25/24/565232524.db2.gz XTJDLYVHIVTULO-XHSDSOJGSA-N 1 0 396.329 2.911 20 0 GFADRO CN1CC[C@H]([NH2+]C[C@H]2CC[C@@H](CO)O2)C[C@@H]1c1ccc(Br)cc1 ZINC000639206185 565233161 /nfs/dbraw/zinc/23/31/61/565233161.db2.gz NVIMJMZEWOLQFV-XWTMOSNGSA-N 1 0 383.330 2.714 20 0 GFADRO O=c1ccc(Br)cn1CC[NH2+]Cc1ccccc1OCCCCO ZINC000639216072 565233714 /nfs/dbraw/zinc/23/37/14/565233714.db2.gz CBASZQZXEVEXPO-UHFFFAOYSA-N 1 0 395.297 2.552 20 0 GFADRO C[C@H](CCc1ccc(I)cc1)[NH2+]C[C@@H]1C[C@H](F)CN1 ZINC000591581201 565234309 /nfs/dbraw/zinc/23/43/09/565234309.db2.gz MYEKQUKRXYKGRY-ZLDLUXBVSA-N 1 0 376.257 2.902 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+][C@@H](c2ccccc2)C2(CO)CCCC2)s1 ZINC000639246844 565234615 /nfs/dbraw/zinc/23/46/15/565234615.db2.gz MKJMHEOIBONMGO-KRWDZBQOSA-N 1 0 380.535 2.779 20 0 GFADRO COc1ccc(Br)cc1C[C@@H](CO)C[NH2+]Cc1snnc1C ZINC000639237496 565235370 /nfs/dbraw/zinc/23/53/70/565235370.db2.gz HWCNMPQICFGZIL-LLVKDONJSA-N 1 0 386.315 2.558 20 0 GFADRO C[NH+](C)C[C@@H](CNS(=O)(=O)c1ccc(N)cc1F)c1ccc(Cl)cc1 ZINC000659985574 565236373 /nfs/dbraw/zinc/23/63/73/565236373.db2.gz NAWNLHLRPBHGSS-CYBMUJFWSA-N 1 0 385.892 2.685 20 0 GFADRO CN(CCC[NH3+])C(=O)c1cccn1-c1cccc(I)c1 ZINC000591679411 565236731 /nfs/dbraw/zinc/23/67/31/565236731.db2.gz UBFFHTLHOABCGW-UHFFFAOYSA-N 1 0 383.233 2.503 20 0 GFADRO CC(C)COC[C@@H](O)C[NH2+]CCc1ccc(I)s1 ZINC000591735460 565237236 /nfs/dbraw/zinc/23/72/36/565237236.db2.gz MFOHXDGTIIQHQK-NSHDSACASA-N 1 0 383.295 2.518 20 0 GFADRO COc1ccc(S(=O)(=O)N2CCCC[C@H]2C[NH+](C)C)c(Br)c1 ZINC000660009386 565237256 /nfs/dbraw/zinc/23/72/56/565237256.db2.gz RFZFJAXUTNJFDF-LBPRGKRZSA-N 1 0 391.331 2.563 20 0 GFADRO COc1nsc(C[NH2+]C[C@]2(CO)CCc3ccccc32)c1Br ZINC000639287483 565237447 /nfs/dbraw/zinc/23/74/47/565237447.db2.gz CXGASPURWDIMNJ-INIZCTEOSA-N 1 0 383.311 2.880 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+][C@@H](c2ccccc2)C2(CO)CC=CC2)s1 ZINC000639285658 565237515 /nfs/dbraw/zinc/23/75/15/565237515.db2.gz IEIOVDWNJLCZCJ-KRWDZBQOSA-N 1 0 378.519 2.555 20 0 GFADRO CCn1cc(C[NH2+][C@@H]2CCN(C)[C@H](c3ccc(Br)cc3)C2)nn1 ZINC000639308968 565238805 /nfs/dbraw/zinc/23/88/05/565238805.db2.gz IGHAGIMSBXCDTM-WBVHZDCISA-N 1 0 378.318 2.986 20 0 GFADRO Cn1cc(C[C@H]2CCC[C@H]2[NH2+]Cc2cnn3cc(Br)cnc23)cn1 ZINC000639314936 565239206 /nfs/dbraw/zinc/23/92/06/565239206.db2.gz AZJNPAVOQSRAFK-CZUORRHYSA-N 1 0 389.301 2.726 20 0 GFADRO C[S@@](=O)c1ccc(C[NH2+]C[C@H](O)COc2ccc(Br)cc2)cc1 ZINC000591750159 565239152 /nfs/dbraw/zinc/23/91/52/565239152.db2.gz UWVVRCATVMPMSS-NPMXOYFQSA-N 1 0 398.322 2.716 20 0 GFADRO COC(=O)[C@@H]1C[N@H+](Cc2ccc(CO)o2)C[C@H]1c1ccc(Br)cc1 ZINC000591839025 565241024 /nfs/dbraw/zinc/24/10/24/565241024.db2.gz IUKLLVDFCSDZPY-DLBZAZTESA-N 1 0 394.265 2.923 20 0 GFADRO CCN(C(=O)C[C@@H](NC(C)=O)c1ccc(Br)cc1)[C@@H]1CC[N@H+](C)C1 ZINC000617560724 565247385 /nfs/dbraw/zinc/24/73/85/565247385.db2.gz WFRTVABMTJAFTK-IAGOWNOFSA-N 1 0 396.329 2.569 20 0 GFADRO O=C1CCCN1C1CC[NH+](C[C@H](O)COc2cc(Cl)cc(Cl)c2)CC1 ZINC000639476189 565247655 /nfs/dbraw/zinc/24/76/55/565247655.db2.gz BFJKEFRXVRLDLD-INIZCTEOSA-N 1 0 387.307 2.820 20 0 GFADRO C[C@@H]([NH2+]C[C@H]1CCc2ncnn21)c1cc2c(cc1Br)OCCO2 ZINC000639562140 565251151 /nfs/dbraw/zinc/25/11/51/565251151.db2.gz SGNLXDDADBUQEP-GHMZBOCLSA-N 1 0 379.258 2.650 20 0 GFADRO Cc1oc(Br)cc1C(=O)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000617696875 565251353 /nfs/dbraw/zinc/25/13/53/565251353.db2.gz QCDVUGSXWBCVLZ-OAHLLOKOSA-N 1 0 393.281 2.847 20 0 GFADRO O=C(NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1ccc(Br)o1 ZINC000617696042 565251406 /nfs/dbraw/zinc/25/14/06/565251406.db2.gz ASYJIHNNCMEPJI-AWEZNQCLSA-N 1 0 379.254 2.539 20 0 GFADRO O[C@@H](COc1cc(Cl)cc(Cl)c1)C[N@@H+]1CCC[C@H](N2CCOCC2)C1 ZINC000639658990 565253840 /nfs/dbraw/zinc/25/38/40/565253840.db2.gz GBJUYHRDDTUFOM-DLBZAZTESA-N 1 0 389.323 2.530 20 0 GFADRO Cc1ccc(-n2cnnc2SCC(=O)NCC[C@H](C)[NH+](C)C)cc1Cl ZINC000617748358 565256636 /nfs/dbraw/zinc/25/66/36/565256636.db2.gz QZDFITJTYSXCFC-ZDUSSCGKSA-N 1 0 381.933 2.778 20 0 GFADRO CN(CCC[NH+](C)C)CCNC(=O)CCc1cccc(F)c1Br ZINC000617763251 565257372 /nfs/dbraw/zinc/25/73/72/565257372.db2.gz KOQDXZVJKNVYNX-UHFFFAOYSA-N 1 0 388.325 2.521 20 0 GFADRO CN(CCC[NH+](C)C)CCNC(=O)c1cc(Cl)ccc1Br ZINC000617767814 565258544 /nfs/dbraw/zinc/25/85/44/565258544.db2.gz DIURMZWFRIHJCR-UHFFFAOYSA-N 1 0 376.726 2.716 20 0 GFADRO C[NH+](C)C[C@]1(O)CCCN(Cc2nnc(-c3c(Cl)cccc3Cl)o2)C1 ZINC000639760790 565258641 /nfs/dbraw/zinc/25/86/41/565258641.db2.gz DCUGYMNPDGSQEA-QGZVFWFLSA-N 1 0 385.295 2.932 20 0 GFADRO CCOC(=O)c1cn(CC[C@H]2CC[NH2+]C2)c2cc(Br)ccc2c1=O ZINC000592159752 565260250 /nfs/dbraw/zinc/26/02/50/565260250.db2.gz FMKMBNFMVKROFN-GFCCVEGCSA-N 1 0 393.281 2.940 20 0 GFADRO Brc1ccc2nc(C[N@@H+]3CCC[C@H](n4ccnn4)CC3)cn2c1 ZINC000639816382 565263055 /nfs/dbraw/zinc/26/30/55/565263055.db2.gz JJYHRXRPJHMWCI-HNNXBMFYSA-N 1 0 375.274 2.916 20 0 GFADRO O=S(=O)(NC[C@@H]1CCC[N@H+](CC2CC2)C1)c1cccnc1C(F)(F)F ZINC000660179698 565263700 /nfs/dbraw/zinc/26/37/00/565263700.db2.gz MXTVTRHMYWATER-ZDUSSCGKSA-N 1 0 377.432 2.501 20 0 GFADRO O=S(=O)(NC[C@H]1CCC[N@H+](CC2CC2)C1)c1ccc(C(F)(F)F)nc1 ZINC000660181129 565263767 /nfs/dbraw/zinc/26/37/67/565263767.db2.gz YOAZSRRTBDYNQJ-CYBMUJFWSA-N 1 0 377.432 2.501 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)CCC[N@@H+]1C[C@H](O)C[C@]1(C)CO ZINC000639849612 565264639 /nfs/dbraw/zinc/26/46/39/565264639.db2.gz PPAPZHVPWMFRIU-CRAIPNDOSA-N 1 0 399.329 2.602 20 0 GFADRO COc1ncc(NC(=O)c2ccc(C[NH+](C)C)nc2)c(C)c1Br ZINC000617893585 565265509 /nfs/dbraw/zinc/26/55/09/565265509.db2.gz CSLNRDOOMSRPCY-UHFFFAOYSA-N 1 0 379.258 2.870 20 0 GFADRO Cc1ncc(CNC(=O)CC[NH2+][C@H](CCO)c2ccc(Cl)c(F)c2)s1 ZINC000639920258 565266989 /nfs/dbraw/zinc/26/69/89/565266989.db2.gz XQBIIXJORMECBL-MRXNPFEDSA-N 1 0 385.892 2.964 20 0 GFADRO CC(C)S(=O)(=O)N1CC[C@H]([NH2+]CCc2nsc3ccccc23)[C@@H](C)C1 ZINC000660308784 565269575 /nfs/dbraw/zinc/26/95/75/565269575.db2.gz PUZYTAUCCJWRGU-HOCLYGCPSA-N 1 0 381.567 2.877 20 0 GFADRO C[C@H](CCC[NH3+])NC(=O)c1cccn1-c1ccc(I)cc1 ZINC000592337643 565270207 /nfs/dbraw/zinc/27/02/07/565270207.db2.gz OJNZKOLYKBFNRM-GFCCVEGCSA-N 1 0 397.260 2.939 20 0 GFADRO COc1cc(NC(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)ncc1Br ZINC000639968755 565271605 /nfs/dbraw/zinc/27/16/05/565271605.db2.gz YCKNLYBPKIEDGH-GFCCVEGCSA-N 1 0 383.290 2.945 20 0 GFADRO CC1([NH+]2CCCC2)CCN([C@H](C(N)=O)c2ccc(Br)cc2)CC1 ZINC000639982138 565271747 /nfs/dbraw/zinc/27/17/47/565271747.db2.gz HLBPJVRTTYPJSX-INIZCTEOSA-N 1 0 380.330 2.926 20 0 GFADRO Cn1cc(C(=O)NC[C@H]2CCCN2Cc2ccc(Br)s2)cn1 ZINC000639976292 565271949 /nfs/dbraw/zinc/27/19/49/565271949.db2.gz JQYVLSFMOGIWEU-GFCCVEGCSA-N 1 0 383.315 2.639 20 0 GFADRO CC[NH+](CC)CCN(Cc1ccc(Cl)cc1)C(=O)[C@H]1CCCS1(=O)=O ZINC000618174362 565276240 /nfs/dbraw/zinc/27/62/40/565276240.db2.gz YCNHRQFVQYOKRL-QGZVFWFLSA-N 1 0 386.945 2.588 20 0 GFADRO COc1c[nH+]ccc1N1CCN(Cc2cc(Br)cnc2OC)CC1 ZINC000660453402 565276432 /nfs/dbraw/zinc/27/64/32/565276432.db2.gz LWNWISSJQZVQFQ-UHFFFAOYSA-N 1 0 393.285 2.579 20 0 GFADRO C[N@@H+]1CCN(C(=O)Nc2ccnn2-c2ccc(Br)cn2)CC1(C)C ZINC000640109571 565278438 /nfs/dbraw/zinc/27/84/38/565278438.db2.gz ZMCIPDDRHLQCJV-UHFFFAOYSA-N 1 0 393.289 2.588 20 0 GFADRO C[C@@H](NC(=O)c1cnn2c1[C@@H](C[NH3+])CCC2)c1ccc(Br)cc1 ZINC000592507046 565280041 /nfs/dbraw/zinc/28/00/41/565280041.db2.gz XYUWWUSTDMUALP-DGCLKSJQSA-N 1 0 377.286 2.973 20 0 GFADRO Nc1n[nH]c(C2CC[NH+](CCC(=O)Nc3cc(Cl)ccc3Cl)CC2)n1 ZINC000660566736 565282867 /nfs/dbraw/zinc/28/28/67/565282867.db2.gz GGYKAYHRDGJYKN-UHFFFAOYSA-N 1 0 383.283 2.902 20 0 GFADRO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)[C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 ZINC000618305784 565285783 /nfs/dbraw/zinc/28/57/83/565285783.db2.gz HIKZVAHUKPYQIS-CVEARBPZSA-N 1 0 386.323 2.575 20 0 GFADRO CN(Cc1cc(Br)cs1)C(=O)C[NH2+][C@@H]1CCCn2nccc21 ZINC000640220461 565288765 /nfs/dbraw/zinc/28/87/65/565288765.db2.gz ZTFRULBXXSFKMQ-CYBMUJFWSA-N 1 0 383.315 2.790 20 0 GFADRO C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1CSCc2ccc(Br)cc21 ZINC000618361257 565292663 /nfs/dbraw/zinc/29/26/63/565292663.db2.gz IQYGSJJVOBUWEK-BLLLJJGKSA-N 1 0 399.354 2.822 20 0 GFADRO CC[N@@H+]1CCCN(CC(=O)N(C)Cc2ccccc2Br)[C@@H](C)C1 ZINC000660796778 565293904 /nfs/dbraw/zinc/29/39/04/565293904.db2.gz VOAATOVUEWFROG-HNNXBMFYSA-N 1 0 382.346 2.824 20 0 GFADRO O=C(C[N@H+]1C[C@@H]2CC[C@@H](O)C[C@@H]2C1)c1c[nH]c2ncc(Br)cc12 ZINC000660810170 565294187 /nfs/dbraw/zinc/29/41/87/565294187.db2.gz ZTALGPDPVAPBOM-DMDPSCGWSA-N 1 0 378.270 2.601 20 0 GFADRO O=C(Nc1nn(CC(F)(F)F)cc1Cl)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000640302745 565297043 /nfs/dbraw/zinc/29/70/43/565297043.db2.gz OAXQRPFVEUJBOO-NEPJUHHUSA-N 1 0 379.814 3.237 20 0 GFADRO Cn1cc(Br)c(NC(=O)NCc2ccccc2C[NH+]2CCCC2)n1 ZINC000640307142 565297328 /nfs/dbraw/zinc/29/73/28/565297328.db2.gz AJTCZDXPJVBYRD-UHFFFAOYSA-N 1 0 392.301 3.100 20 0 GFADRO C[C@H]1C[C@H](NC(=O)N2CCOc3cc(Br)ccc3C2)C[N@@H+]1C1CC1 ZINC000660869798 565298215 /nfs/dbraw/zinc/29/82/15/565298215.db2.gz RPQAAQZWDCMUAF-WFASDCNBSA-N 1 0 394.313 2.978 20 0 GFADRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)Nc2nn(C)cc2Br)C1 ZINC000640310044 565298914 /nfs/dbraw/zinc/29/89/14/565298914.db2.gz SGNGQCCPKIGNHO-GXTWGEPZSA-N 1 0 392.301 3.140 20 0 GFADRO CCCN(C(=O)c1ccc(F)cc1I)[C@@H]1CC[N@H+](C)C1 ZINC000592830920 565300182 /nfs/dbraw/zinc/30/01/82/565300182.db2.gz IEOYTNVXGCYFHN-GFCCVEGCSA-N 1 0 390.240 2.987 20 0 GFADRO OCC1([C@H]([NH2+]CCOc2ccc(Br)cc2)C2CC2)CCOCC1 ZINC000661084281 565305711 /nfs/dbraw/zinc/30/57/11/565305711.db2.gz XGQZWHUCIURVBU-QGZVFWFLSA-N 1 0 384.314 2.985 20 0 GFADRO OC[C@@H]([NH2+]Cc1cc(Cl)ccc1I)C1CCOCC1 ZINC000593023342 565307502 /nfs/dbraw/zinc/30/75/02/565307502.db2.gz QIYWCMHOLQVCNZ-CQSZACIVSA-N 1 0 395.668 2.822 20 0 GFADRO COc1ncc(C(=O)N2CCCN(c3cc[nH+]cc3)CC2)cc1Br ZINC000640442375 565309554 /nfs/dbraw/zinc/30/95/54/565309554.db2.gz IUTHMNXLCQHNLV-UHFFFAOYSA-N 1 0 391.269 2.600 20 0 GFADRO COC(=O)[C@@H]1C[N@H+](C[C@H](O)COc2c(Cl)cccc2Cl)C[C@H]1C1CC1 ZINC000593127226 565315210 /nfs/dbraw/zinc/31/52/10/565315210.db2.gz UCWTWPPNIZBBLH-MELADBBJSA-N 1 0 388.291 2.864 20 0 GFADRO CCC(C)(C)[C@H](C)[NH2+]CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000661232583 565315367 /nfs/dbraw/zinc/31/53/67/565315367.db2.gz INGFJMOXGRGFBP-LBPRGKRZSA-N 1 0 389.949 2.943 20 0 GFADRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)N2CCOc3cc(Br)ccc3C2)C1 ZINC000661360428 565320148 /nfs/dbraw/zinc/32/01/48/565320148.db2.gz YIONTHMVJBULLB-JNSHFYNHSA-N 1 0 382.302 2.693 20 0 GFADRO CO[C@]1(CO)CCC[N@H+](Cc2ccnc(-c3ccc(Br)cc3)n2)C1 ZINC000661394004 565322205 /nfs/dbraw/zinc/32/22/05/565322205.db2.gz ZMZDVKIILTWFAQ-GOSISDBHSA-N 1 0 392.297 2.879 20 0 GFADRO C[C@@H]1CCC[N@H+](CC(=O)c2c[nH]c3ncc(Br)cc23)[C@H]1CCO ZINC000661500792 565326211 /nfs/dbraw/zinc/32/62/11/565326211.db2.gz UPRKDMVRVVDSHF-ABAIWWIYSA-N 1 0 380.286 2.991 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)N[C@H](CO)c2ccc(Br)cc2)C1 ZINC000661510201 565327309 /nfs/dbraw/zinc/32/73/09/565327309.db2.gz UBZMPJWDIZATCY-HUUCEWRRSA-N 1 0 384.318 2.655 20 0 GFADRO C[C@H](C(=O)Nc1cc(Cl)ccc1Cl)n1cc([C@@H]([NH3+])[C@@H]2CCCO2)nn1 ZINC000640801146 565329287 /nfs/dbraw/zinc/32/92/87/565329287.db2.gz ARIWBNOEQKUQLG-TURNYIBQSA-N 1 0 384.267 2.963 20 0 GFADRO COc1cc(Br)ccc1CCC[N@@H+]1CC[C@H]2NC(=O)CC[C@H]2C1 ZINC000661599816 565329934 /nfs/dbraw/zinc/32/99/34/565329934.db2.gz FJHFDYZOLOFCHM-GOEBONIOSA-N 1 0 381.314 2.991 20 0 GFADRO O=C1[C@@H]([N@@H+]2CCC[C@](O)(C3CC3)C2)CCN1c1cccc(Br)c1 ZINC000661632108 565331591 /nfs/dbraw/zinc/33/15/91/565331591.db2.gz NLJFSOZYKQMLCT-FUHWJXTLSA-N 1 0 379.298 2.791 20 0 GFADRO C[C@]1(Cc2ccc(OC(F)(F)F)cc2)CCC[N@@H+]1CCCS(N)(=O)=O ZINC000661616421 565331734 /nfs/dbraw/zinc/33/17/34/565331734.db2.gz SCZKTAFWPAOBFC-OAHLLOKOSA-N 1 0 380.432 2.661 20 0 GFADRO O[C@H](COc1cc(F)cc(Br)c1)C[N@@H+]1CCC[C@](O)(C2CC2)C1 ZINC000661628532 565331888 /nfs/dbraw/zinc/33/18/88/565331888.db2.gz VEQPHOMCELSVNE-DOTOQJQBSA-N 1 0 388.277 2.565 20 0 GFADRO C[NH+](C)C[C@H]1CCCN1c1ncnc2cc(I)sc21 ZINC000593465812 565333422 /nfs/dbraw/zinc/33/34/22/565333422.db2.gz UEVKPEYICYFVKM-SECBINFHSA-N 1 0 388.278 2.826 20 0 GFADRO CCN(CC)C(=O)[C@@H](C)n1cc([C@H]([NH3+])c2ccc(Br)cc2)nn1 ZINC000640919299 565337262 /nfs/dbraw/zinc/33/72/62/565337262.db2.gz CQSLJRVIAIYKHT-IAQYHMDHSA-N 1 0 380.290 2.518 20 0 GFADRO C[C@H](c1nc(C2CC2)no1)n1cc([C@H]([NH3+])c2ccc(Br)cc2)nn1 ZINC000640936725 565338497 /nfs/dbraw/zinc/33/84/97/565338497.db2.gz FXUYSUXWSYHILB-YMTOWFKASA-N 1 0 389.257 2.958 20 0 GFADRO Clc1ccc(-c2nnc(Cn3cc(C[C@H]4CC[NH2+]C4)nn3)o2)c(Cl)c1 ZINC000640993768 565341141 /nfs/dbraw/zinc/34/11/41/565341141.db2.gz GPRZGCGLVKNQBD-SNVBAGLBSA-N 1 0 379.251 2.835 20 0 GFADRO CCCCc1nc(Cn2cc([C@H]([NH3+])c3ccc(Br)cc3)nn2)no1 ZINC000640993545 565341352 /nfs/dbraw/zinc/34/13/52/565341352.db2.gz AJHZUNZPTFSPBM-MRXNPFEDSA-N 1 0 391.273 2.863 20 0 GFADRO CC[C@](C)([NH3+])c1cn(Cc2nc(Cc3cccc(Br)c3)no2)nn1 ZINC000641041614 565342033 /nfs/dbraw/zinc/34/20/33/565342033.db2.gz NXBAHQFHEJYVMV-INIZCTEOSA-N 1 0 391.273 2.647 20 0 GFADRO COCCN(Cc1cc(Br)cs1)C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000641043387 565343739 /nfs/dbraw/zinc/34/37/39/565343739.db2.gz OVMWNYRJSQRHGE-ZDUSSCGKSA-N 1 0 390.347 2.811 20 0 GFADRO CC[NH+]1CCN(CC(C)(C)NC(=O)c2ccc(OC)cc2Br)CC1 ZINC000662013496 565344865 /nfs/dbraw/zinc/34/48/65/565344865.db2.gz QUEWYXAMHMSNAB-UHFFFAOYSA-N 1 0 398.345 2.604 20 0 GFADRO COC[C@@H]([NH3+])Cc1cn(CCSc2ccnc3cc(Cl)ccc32)nn1 ZINC000641105701 565345949 /nfs/dbraw/zinc/34/59/49/565345949.db2.gz XNDVGSUDMODRII-ZDUSSCGKSA-N 1 0 377.901 2.788 20 0 GFADRO COC[C@H]([NH3+])Cc1cn(Cc2coc(-c3cc(Cl)cc(Cl)c3)n2)nn1 ZINC000641119288 565346731 /nfs/dbraw/zinc/34/67/31/565346731.db2.gz CDUSXLQIHDLLQW-CYBMUJFWSA-N 1 0 382.251 2.804 20 0 GFADRO C[NH2+][C@H](C)c1cn([C@H]2CCCN(c3ccc(Br)c(C)c3)C2=O)nn1 ZINC000641118237 565346771 /nfs/dbraw/zinc/34/67/71/565346771.db2.gz VPYRXXUASLPDAQ-WBMJQRKESA-N 1 0 392.301 2.998 20 0 GFADRO C[NH2+]Cc1cn(Cc2cccc(OCC(F)(F)F)c2Br)nn1 ZINC000641117670 565347400 /nfs/dbraw/zinc/34/74/00/565347400.db2.gz ZCIZWLORHOYNPB-UHFFFAOYSA-N 1 0 379.180 2.749 20 0 GFADRO C[NH+](C)CCCNC(=O)NC[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000619670366 565354157 /nfs/dbraw/zinc/35/41/57/565354157.db2.gz AUWYINHHYICXJF-CQSZACIVSA-N 1 0 383.334 2.526 20 0 GFADRO Cc1ccc2c(c1Br)CN(CC(=O)NC1CC[NH+](C3CC3)CC1)C2 ZINC000662192732 565354460 /nfs/dbraw/zinc/35/44/60/565354460.db2.gz TZDYVBOZAGYEEY-UHFFFAOYSA-N 1 0 392.341 2.816 20 0 GFADRO CC[NH+](CC)Cc1ccccc1CNS(=O)(=O)Cc1cc(OC)ns1 ZINC000641260795 565356585 /nfs/dbraw/zinc/35/65/85/565356585.db2.gz FRQYLVCACLGFTO-UHFFFAOYSA-N 1 0 383.539 2.613 20 0 GFADRO COc1ncc(Br)cc1CN1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000662282950 565359568 /nfs/dbraw/zinc/35/95/68/565359568.db2.gz FFUMSKWTOBKMSQ-OAGGEKHMSA-N 1 0 384.318 2.714 20 0 GFADRO Cn1c(CN2CCO[C@@H](CCC[NH+](C)C)C2)nc2ccc(Br)cc21 ZINC000662322272 565360181 /nfs/dbraw/zinc/36/01/81/565360181.db2.gz GLBLTAZTBQKKJZ-HNNXBMFYSA-N 1 0 395.345 2.878 20 0 GFADRO CC(C)([NH3+])c1noc(CN2CCOC[C@@H]2c2cccc(Br)c2)n1 ZINC000662310610 565360400 /nfs/dbraw/zinc/36/04/00/565360400.db2.gz LMHWAVSDQRDBKI-CYBMUJFWSA-N 1 0 381.274 2.599 20 0 GFADRO CN(CC[NH+]1CCCCC1)C(=O)Cc1cccc(I)c1 ZINC000593884953 565366168 /nfs/dbraw/zinc/36/61/68/565366168.db2.gz YPPBLZYKLLYKOT-UHFFFAOYSA-N 1 0 386.277 2.778 20 0 GFADRO O=C(c1cc(Br)cc2c1OCCO2)N1CCC([NH2+]CC2CC2)CC1 ZINC000662422464 565367994 /nfs/dbraw/zinc/36/79/94/565367994.db2.gz PIAWPSVQYHNWIL-UHFFFAOYSA-N 1 0 395.297 2.825 20 0 GFADRO O=C(NCCCc1cccc(Br)c1)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC000662451007 565368740 /nfs/dbraw/zinc/36/87/40/565368740.db2.gz IGKYUENQMGLNRR-CYBMUJFWSA-N 1 0 377.286 2.612 20 0 GFADRO O=C(N[C@@H]1CCc2c1ccc(Cl)c2Cl)c1cnnn1C1CC[NH2+]CC1 ZINC000662458340 565369868 /nfs/dbraw/zinc/36/98/68/565369868.db2.gz JUCUXFRMHITUSY-CQSZACIVSA-N 1 0 380.279 2.927 20 0 GFADRO O=C(N[C@H]1CCc2c1ccc(Cl)c2Cl)c1cnnn1C1CC[NH2+]CC1 ZINC000662458337 565370087 /nfs/dbraw/zinc/37/00/87/565370087.db2.gz JUCUXFRMHITUSY-AWEZNQCLSA-N 1 0 380.279 2.927 20 0 GFADRO C[NH+](C)Cc1cc(CNC(=O)[C@H](N)c2ccccc2Br)ccc1F ZINC000662461969 565370275 /nfs/dbraw/zinc/37/02/75/565370275.db2.gz GKGGZSHAEGPOFT-QGZVFWFLSA-N 1 0 394.288 2.966 20 0 GFADRO CCCS(=O)(=O)Nc1cccc(NC(=O)c2cc3c(s2)CC[NH2+]C3)c1 ZINC000662468397 565370325 /nfs/dbraw/zinc/37/03/25/565370325.db2.gz NLAHWCHXWSHYSY-UHFFFAOYSA-N 1 0 379.507 2.798 20 0 GFADRO O=C(NCCC1CCN(CC(F)(F)F)CC1)c1cc2c(s1)CC[NH2+]C2 ZINC000662489951 565371153 /nfs/dbraw/zinc/37/11/53/565371153.db2.gz GYWVUUIRXIIUME-UHFFFAOYSA-N 1 0 375.460 2.788 20 0 GFADRO O=C(c1cc(-c2cccc(Br)c2)no1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000662514036 565373749 /nfs/dbraw/zinc/37/37/49/565373749.db2.gz CVJMZYABQLTCDL-KRWDZBQOSA-N 1 0 376.254 2.930 20 0 GFADRO O=C(N1CCN([C@H]2CC[NH2+]C2)CC1)C1(c2c(Cl)cccc2Cl)CCC1 ZINC000662517233 565373919 /nfs/dbraw/zinc/37/39/19/565373919.db2.gz LGPYUJMQCZFDGO-AWEZNQCLSA-N 1 0 382.335 2.921 20 0 GFADRO Cc1cc(Br)cc(C(=O)N2C[C@@H](C[NH3+])C3(C2)CCOCC3)c1C ZINC000662571057 565377336 /nfs/dbraw/zinc/37/73/36/565377336.db2.gz QEGZCNLEQXPPTD-CQSZACIVSA-N 1 0 381.314 2.893 20 0 GFADRO CC1(C)C[NH2+][C@H]1C1CCN(C(=O)c2sc3c(c2Br)CNC3)CC1 ZINC000662578046 565378573 /nfs/dbraw/zinc/37/85/73/565378573.db2.gz PMNLZONKJOPKEW-HNNXBMFYSA-N 1 0 398.370 2.964 20 0 GFADRO [NH3+]C1(CNC(=O)[C@H]2CCCN2C(=O)c2ccc(Cl)c(Cl)c2)CCCC1 ZINC000662653151 565380706 /nfs/dbraw/zinc/38/07/06/565380706.db2.gz VLXCGJXNELTEQH-OAHLLOKOSA-N 1 0 384.307 2.986 20 0 GFADRO O=C(CCC1CC[NH2+]CC1)N1CCN(c2ccc(Br)cc2)CC1 ZINC000662654672 565381042 /nfs/dbraw/zinc/38/10/42/565381042.db2.gz DTZJIMMNSMXTRG-UHFFFAOYSA-N 1 0 380.330 2.878 20 0 GFADRO CCO[C@H]1C[C@@]([NH3+])(C(=O)NCc2sc(C)cc2Br)C1(C)C ZINC000662667990 565381277 /nfs/dbraw/zinc/38/12/77/565381277.db2.gz FOJFXXJKMBBQFG-SWLSCSKDSA-N 1 0 375.332 2.968 20 0 GFADRO [NH3+]CC12CC(C1)CN2C(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl ZINC000662677116 565382298 /nfs/dbraw/zinc/38/22/98/565382298.db2.gz UZKLJHRCOJFELX-AAEPOTHZSA-N 1 0 382.291 2.548 20 0 GFADRO O=C([C@H]1CCC[NH2+]1)N1CCc2cc(Br)c(Br)cc2C1 ZINC000662735781 565383555 /nfs/dbraw/zinc/38/35/55/565383555.db2.gz PVGSJACKYWXENU-CYBMUJFWSA-N 1 0 388.103 2.848 20 0 GFADRO O=C(N[C@H]1CCCN(c2ccccc2Cl)C1)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662726912 565383651 /nfs/dbraw/zinc/38/36/51/565383651.db2.gz JQDRDBAMPXQGOA-LRDDRELGSA-N 1 0 375.822 2.967 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)c2c(Cl)cccc2Br)CC12CCOCC2 ZINC000662782979 565384311 /nfs/dbraw/zinc/38/43/11/565384311.db2.gz CESCIDQXEJIJNH-NSHDSACASA-N 1 0 387.705 2.930 20 0 GFADRO C[C@H](Sc1cc(Cl)ccc1Cl)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000662753014 565384958 /nfs/dbraw/zinc/38/49/58/565384958.db2.gz WMMSUIUEPCVVHA-QMMMGPOBSA-N 1 0 387.292 2.745 20 0 GFADRO O=C(CCc1cc(F)ccc1Br)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000620480526 565385190 /nfs/dbraw/zinc/38/51/90/565385190.db2.gz FOOBWMWBKISNIA-MRXNPFEDSA-N 1 0 399.304 2.578 20 0 GFADRO CC1(C)CC[NH2+][C@H]1C(=O)NCc1nc(-c2cccc(Br)c2)no1 ZINC000662809754 565386162 /nfs/dbraw/zinc/38/61/62/565386162.db2.gz KKHIRNBLSXZIKW-ZDUSSCGKSA-N 1 0 379.258 2.503 20 0 GFADRO C[C@H](C[NH+](C)C)[C@H]1CCCCN1S(=O)(=O)c1cccnc1C(F)(F)F ZINC000641622898 565387211 /nfs/dbraw/zinc/38/72/11/565387211.db2.gz DOSXLVWUHADFSY-CHWSQXEVSA-N 1 0 379.448 2.841 20 0 GFADRO COc1cc(NC(=O)COC2CC[NH2+]CC2)c(Cl)cc1Br ZINC000662918954 565389970 /nfs/dbraw/zinc/38/99/70/565389970.db2.gz LHCHQJRGTRVMTQ-UHFFFAOYSA-N 1 0 377.666 2.818 20 0 GFADRO O=C(N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1)c1cccc(Cl)c1Cl ZINC000641665736 565391447 /nfs/dbraw/zinc/39/14/47/565391447.db2.gz XQPOCFKMNUYGSW-CQSZACIVSA-N 1 0 386.323 2.520 20 0 GFADRO O=C(N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1)c1ccc(Cl)c(Cl)c1 ZINC000641663957 565391952 /nfs/dbraw/zinc/39/19/52/565391952.db2.gz GBKZTDLRRSTUDE-OAHLLOKOSA-N 1 0 386.323 2.520 20 0 GFADRO CC(C)([NH3+])CCNC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1Br ZINC000641821176 565399892 /nfs/dbraw/zinc/39/98/92/565399892.db2.gz HFRHOIXJAVWPSG-UHFFFAOYSA-N 1 0 396.207 2.650 20 0 GFADRO CC[C@@H]1CN(C(=O)c2cn(Cc3ccc(Cl)cc3Cl)nn2)C[C@H](C)[NH2+]1 ZINC000620904036 565400614 /nfs/dbraw/zinc/40/06/14/565400614.db2.gz KOVJXTFSXVYBRD-SMDDNHRTSA-N 1 0 382.295 2.846 20 0 GFADRO CC[C@@H]1CN(C(=O)c2ccn(-c3ccc(Br)cc3)n2)C[C@H](C)[NH2+]1 ZINC000620898098 565400683 /nfs/dbraw/zinc/40/06/83/565400683.db2.gz NRSQGGWEYRRPMN-GXTWGEPZSA-N 1 0 377.286 2.847 20 0 GFADRO COc1ccc(Br)c(CC(=O)N2CCO[C@H](CCC[NH+](C)C)C2)c1 ZINC000620972053 565403437 /nfs/dbraw/zinc/40/34/37/565403437.db2.gz VTRNNPQKSKMIDW-MRXNPFEDSA-N 1 0 399.329 2.569 20 0 GFADRO COCC[N@@H+]1CCC[C@H](Nc2nc(C(F)(F)F)c(Br)s2)C1 ZINC000642119438 565406320 /nfs/dbraw/zinc/40/63/20/565406320.db2.gz NILXWCVJJDYMQK-QMMMGPOBSA-N 1 0 388.253 3.447 20 0 GFADRO Cc1cc(Br)cc(C)c1S(=O)(=O)N(C)[C@@H](C[NH3+])C(F)(F)F ZINC000663311713 565410938 /nfs/dbraw/zinc/41/09/38/565410938.db2.gz PSXGOSSISDEODN-JTQLQIEISA-N 1 0 389.237 2.576 20 0 GFADRO CC(C)(CNC(=O)C(=O)N1CCC[C@H](C[NH3+])C1)c1ccc(Cl)c(Cl)c1 ZINC000642724829 565417428 /nfs/dbraw/zinc/41/74/28/565417428.db2.gz BMDBJENROFQRHY-GFCCVEGCSA-N 1 0 386.323 2.585 20 0 GFADRO CC(C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000642981965 565419743 /nfs/dbraw/zinc/41/97/43/565419743.db2.gz MRTHLJJCSCUFNF-CQSZACIVSA-N 1 0 386.323 2.989 20 0 GFADRO CCOCCOc1ccc(Br)cc1CN1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000663507309 565424606 /nfs/dbraw/zinc/42/46/06/565424606.db2.gz UGFWOQSMBAIOCY-HUUCEWRRSA-N 1 0 375.282 2.736 20 0 GFADRO C[C@]1(NC(=O)C(=O)Nc2cccc(Cl)c2SCC(F)F)CC[NH2+]C1 ZINC000663613056 565429380 /nfs/dbraw/zinc/42/93/80/565429380.db2.gz OKJHIUVZPFJXCN-HNNXBMFYSA-N 1 0 377.844 2.504 20 0 GFADRO COCC[N@H+](C)CCCNC(=O)N(C)[C@@H](CO)c1cccc(Cl)c1Cl ZINC000663691827 565429844 /nfs/dbraw/zinc/42/98/44/565429844.db2.gz NCHYRXNFGACJRM-HNNXBMFYSA-N 1 0 392.327 2.637 20 0 GFADRO Cc1nc(C)c(Br)c(NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)n1 ZINC000663654757 565430252 /nfs/dbraw/zinc/43/02/52/565430252.db2.gz OMABWEGTYAVWAY-SFHVURJKSA-N 1 0 391.313 2.905 20 0 GFADRO COCC[N@@H+]1CC[C@@H](NC(=O)N[C@H]2C[C@H](c3ccc(Br)cc3)C2)C1 ZINC000643406902 565432012 /nfs/dbraw/zinc/43/20/12/565432012.db2.gz NPEAHVNCUPQJIU-DJIMGWMZSA-N 1 0 396.329 2.715 20 0 GFADRO C[C@@H]1C[NH+](CCCCNc2nnc3ccc(Br)cn32)C[C@@H](C)O1 ZINC000663705596 565432037 /nfs/dbraw/zinc/43/20/37/565432037.db2.gz SDYOQWZPBADWCO-CHWSQXEVSA-N 1 0 382.306 2.793 20 0 GFADRO O=C(CC[C@@H]1CCC[NH2+]C1)NC[C@@H](O)COc1cccc(Cl)c1Cl ZINC000621629652 565433779 /nfs/dbraw/zinc/43/37/79/565433779.db2.gz GNPGSCGDFMMVGK-QWHCGFSZSA-N 1 0 375.296 2.629 20 0 GFADRO [NH3+]CCCCn1cc(C(=O)N2CCC[C@@H]2c2ccccc2Br)nn1 ZINC000643510982 565435293 /nfs/dbraw/zinc/43/52/93/565435293.db2.gz HOOFDJKKDRQJGA-MRXNPFEDSA-N 1 0 392.301 2.757 20 0 GFADRO C[C@@H](N[C@@H]1CC[NH2+]C2(CCC2)C1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000643548338 565435331 /nfs/dbraw/zinc/43/53/31/565435331.db2.gz OAXHPWRLCWVUQX-GHMZBOCLSA-N 1 0 392.352 2.966 20 0 GFADRO Ic1ccc(OCC[NH2+]Cc2cc3n(n2)CCC3)cc1 ZINC000594939724 565435412 /nfs/dbraw/zinc/43/54/12/565435412.db2.gz DHROVQFJLXWBKX-UHFFFAOYSA-N 1 0 383.233 2.603 20 0 GFADRO O=C(NC[C@H]1C[NH2+]CCO1)C1(c2ccc(Br)cc2)CCCCC1 ZINC000643603439 565435573 /nfs/dbraw/zinc/43/55/73/565435573.db2.gz ZTOOVWIXBPHADV-MRXNPFEDSA-N 1 0 381.314 2.756 20 0 GFADRO [NH3+][C@@H]1CN(C(=O)c2cc(Br)c[nH]c2=O)CC[C@H]1c1ccc(F)cc1 ZINC000621665105 565435795 /nfs/dbraw/zinc/43/57/95/565435795.db2.gz QLULCRHTUJNTQU-DZGCQCFKSA-N 1 0 394.244 2.646 20 0 GFADRO COC(=O)[C@@H]1C[C@H]1[C@@H](C)[NH2+]CCC(=O)Nc1ccc(Br)cc1C ZINC000594925523 565435943 /nfs/dbraw/zinc/43/59/43/565435943.db2.gz MHHVIEFVGKDDAG-KWCYVHTRSA-N 1 0 383.286 2.873 20 0 GFADRO O=C(CC[C@H]1CCC[NH2+]C1)N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000621660754 565435972 /nfs/dbraw/zinc/43/59/72/565435972.db2.gz VLEGEEXGNZVYBE-WBMJQRKESA-N 1 0 384.307 2.995 20 0 GFADRO C[NH+](C)[C@H]1CN(C(=O)N[C@@H](c2ccsc2)c2ccc(Cl)cc2)C[C@@H]1O ZINC000663807692 565437011 /nfs/dbraw/zinc/43/70/11/565437011.db2.gz WBMUAMQEPMGNTO-YESZJQIVSA-N 1 0 379.913 2.807 20 0 GFADRO [NH3+][C@]12CCC[C@@H]1CN(C(=O)[C@H]1CCN(c3ccc(Cl)c(Cl)c3)C1=O)C2 ZINC000621682860 565437126 /nfs/dbraw/zinc/43/71/26/565437126.db2.gz MLCVDDQPIFUDPV-BVRBVLIYSA-N 1 0 382.291 2.686 20 0 GFADRO COC[C@H](CC[NH2+]Cc1c(F)ccc(I)c1F)OC ZINC000594955476 565437176 /nfs/dbraw/zinc/43/71/76/565437176.db2.gz PDXJAVZUSDRQQJ-VIFPVBQESA-N 1 0 385.192 2.711 20 0 GFADRO [NH3+][C@@]12CCC[C@@H]1CN(C(=O)c1ccn(-c3cccc(Br)c3)n1)C2 ZINC000621690651 565437374 /nfs/dbraw/zinc/43/73/74/565437374.db2.gz WJCJJQFRJKJNTN-SJKOYZFVSA-N 1 0 375.270 2.588 20 0 GFADRO COc1ccc(C[NH2+][C@@H]2CCC[C@H]([S@](C)=O)C2)c(Br)c1O ZINC000594959011 565438227 /nfs/dbraw/zinc/43/82/27/565438227.db2.gz BZOSHWDAGOLARD-IDFMNXDXSA-N 1 0 376.316 2.943 20 0 GFADRO CO[C@@H]1CCC[C@H]([C@H](CO)[NH2+]Cc2cccc(I)c2)C1 ZINC000594965595 565438312 /nfs/dbraw/zinc/43/83/12/565438312.db2.gz PWCFIMRVMVMSRI-IMJJTQAJSA-N 1 0 389.277 2.947 20 0 GFADRO NC(=O)CC1(C[NH2+]Cc2ncc(I)s2)CCCCC1 ZINC000595000538 565441413 /nfs/dbraw/zinc/44/14/13/565441413.db2.gz KZLSQVGOFYYXOZ-UHFFFAOYSA-N 1 0 393.294 2.663 20 0 GFADRO Ic1ccc2c(c1)[C@H]([NH2+]CCN1C[C@H]3CC[C@@H](C1)O3)CC2 ZINC000595043866 565444426 /nfs/dbraw/zinc/44/44/26/565444426.db2.gz YWDAFXWSLFWFEC-HLLBOEOZSA-N 1 0 398.288 2.731 20 0 GFADRO C[C@@H](CSCCF)[NH2+]CC(=O)Nc1ccc(I)cc1 ZINC000595037908 565444546 /nfs/dbraw/zinc/44/45/46/565444546.db2.gz FIYUFOHTZYLZRE-JTQLQIEISA-N 1 0 396.269 2.911 20 0 GFADRO C[C@@H](Cn1cncn1)[NH2+]Cc1ccc(Cl)cc1I ZINC000595037709 565444832 /nfs/dbraw/zinc/44/48/32/565444832.db2.gz BRDQOOGQLFEXNK-VIFPVBQESA-N 1 0 376.629 2.714 20 0 GFADRO O=C(NCC(F)(F)c1ccc(Br)cc1)N[C@@H]1CCC[NH2+]CC1 ZINC000621848526 565444956 /nfs/dbraw/zinc/44/49/56/565444956.db2.gz ZWLDGRDLHHKCAZ-CYBMUJFWSA-N 1 0 376.245 2.982 20 0 GFADRO CCN(C(=O)N[C@H]1CCN(c2ccc(Br)cc2)C1)[C@H]1CC[N@H+](C)C1 ZINC000663974694 565446751 /nfs/dbraw/zinc/44/67/51/565446751.db2.gz LNXZNHFJRCOYIR-RDJZCZTQSA-N 1 0 395.345 2.763 20 0 GFADRO Brc1cnnc(N2CCO[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000664065574 565451448 /nfs/dbraw/zinc/45/14/48/565451448.db2.gz KKCQESPLUFOYEX-DLBZAZTESA-N 1 0 389.297 2.719 20 0 GFADRO C[C@@H](CCNC(=O)N[C@@H]1CCN(c2ccccc2Br)C1)[NH+](C)C ZINC000664084687 565452131 /nfs/dbraw/zinc/45/21/31/565452131.db2.gz ADZDCFSXYMPXKG-UONOGXRCSA-N 1 0 383.334 2.667 20 0 GFADRO C[C@@H](NC(=O)[C@@H]1[NH2+]CC1(C)C)c1nc(-c2ccc(Br)cc2)no1 ZINC000643974890 565453795 /nfs/dbraw/zinc/45/37/95/565453795.db2.gz VEKGFVWGUSZTEN-SKDRFNHKSA-N 1 0 379.258 2.674 20 0 GFADRO [NH3+][C@@]12CCC[C@@H]1CN(Cc1ncc(Br)cc1Br)C2 ZINC000622003897 565454041 /nfs/dbraw/zinc/45/40/41/565454041.db2.gz HFBIHQXDZDOHLD-NOZJJQNGSA-N 1 0 375.108 2.920 20 0 GFADRO C[C@H](NC(=O)N(CC[NH+](C)C)CC(=O)N(C)C)c1cccc(Cl)c1Cl ZINC000664165682 565454759 /nfs/dbraw/zinc/45/47/59/565454759.db2.gz LVQBIJYKTONCPF-LBPRGKRZSA-N 1 0 389.327 2.716 20 0 GFADRO CCOC(=O)c1cc(Br)ccc1NC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000595230965 565456987 /nfs/dbraw/zinc/45/69/87/565456987.db2.gz KHAFAHZQKMBSHL-VXGBXAGGSA-N 1 0 388.237 2.529 20 0 GFADRO CCOC(=O)c1c(NC(=O)N2CC3CC2(C[NH3+])C3)sc2c1CCCS2 ZINC000595242631 565457853 /nfs/dbraw/zinc/45/78/53/565457853.db2.gz NFCUXKXHHQQCOQ-UHFFFAOYSA-N 1 0 381.523 2.918 20 0 GFADRO O=C(Cc1cc2c(cc1Br)OCCO2)N(C1CC1)C1CC[NH2+]CC1 ZINC000644095280 565459304 /nfs/dbraw/zinc/45/93/04/565459304.db2.gz GARWGWXIBUNPHJ-UHFFFAOYSA-N 1 0 395.297 2.506 20 0 GFADRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1cc2c(cc1Br)OCO2 ZINC000622048032 565459602 /nfs/dbraw/zinc/45/96/02/565459602.db2.gz GFILOXPNOBMYDM-RYUDHWBXSA-N 1 0 381.270 2.877 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H](CNC(=O)[C@@H]2CC(=O)N(c3cc(Cl)cc(Cl)c3)C2)C1 ZINC000644136682 565459694 /nfs/dbraw/zinc/45/96/94/565459694.db2.gz IRMZVSAOUMKQFW-LALPHHSUSA-N 1 0 384.307 2.980 20 0 GFADRO COC[C@@]1(CNC(=O)CCSc2ccccc2Br)CCC[NH2+]1 ZINC000644125772 565459788 /nfs/dbraw/zinc/45/97/88/565459788.db2.gz IAZBKUSNCOCNKW-INIZCTEOSA-N 1 0 387.343 2.816 20 0 GFADRO Cc1csc(C(=O)N2CC[C@@H](C)C[C@H]2C[NH3+])c1I ZINC000595258936 565459901 /nfs/dbraw/zinc/45/99/01/565459901.db2.gz WWUFOQYEKKVSCP-SCZZXKLOSA-N 1 0 378.279 2.861 20 0 GFADRO CN(CC(C)(C)[NH3+])C(=O)NCc1ccc(I)cc1Cl ZINC000595263644 565460001 /nfs/dbraw/zinc/46/00/01/565460001.db2.gz WDZOCPVMZQMMSA-UHFFFAOYSA-N 1 0 395.672 2.823 20 0 GFADRO COC[C@]1(CNC(=O)c2cc(Br)cc(OC(C)C)c2)CCC[NH2+]1 ZINC000644124795 565460276 /nfs/dbraw/zinc/46/02/76/565460276.db2.gz ZLHKYEZHUPFDGH-QGZVFWFLSA-N 1 0 385.302 2.735 20 0 GFADRO O=C(NCCC[C@H]1CCC[NH2+]1)c1cnn(-c2ccc(Br)cc2)c1 ZINC000644132051 565460339 /nfs/dbraw/zinc/46/03/39/565460339.db2.gz WUHQVEJSOUYKHG-OAHLLOKOSA-N 1 0 377.286 2.897 20 0 GFADRO COc1cc(OC)c(NC(=O)[C@@H]2C[NH2+]CCC2(F)F)cc1Br ZINC000644160556 565461292 /nfs/dbraw/zinc/46/12/92/565461292.db2.gz JMKSJJIBRXBYIT-QMMMGPOBSA-N 1 0 379.201 2.650 20 0 GFADRO CN(Cc1ccc(Br)cc1Cl)C(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000644155207 565461837 /nfs/dbraw/zinc/46/18/37/565461837.db2.gz FZPGRNQNLVLWAN-ZDUSSCGKSA-N 1 0 375.694 2.830 20 0 GFADRO O=C(N[C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1cc2c(cc1Br)OCO2 ZINC000622130753 565464239 /nfs/dbraw/zinc/46/42/39/565464239.db2.gz VHEDHBADTZFTJN-KBPBESRZSA-N 1 0 381.270 2.925 20 0 GFADRO COC(=O)[C@H](c1ccc(Cl)c(Cl)c1)N(C)C[C@@H](O)C[N@H+](C)C(C)C ZINC000595369992 565469471 /nfs/dbraw/zinc/46/94/71/565469471.db2.gz JHDTZLCHLJRAQL-BBRMVZONSA-N 1 0 377.312 2.840 20 0 GFADRO Cc1cccc(CNC(=O)NCCN2C[C@@H](C)OC[C@@H]2C)c1Br ZINC000664729726 565475670 /nfs/dbraw/zinc/47/56/70/565475670.db2.gz LSWRGVMMJZDGLD-UONOGXRCSA-N 1 0 384.318 2.666 20 0 GFADRO COC(=O)CCN1CC[C@H]([N@@H+]2CC[C@H](Sc3cccc(Cl)c3)C2)C1=O ZINC000595513271 565480388 /nfs/dbraw/zinc/48/03/88/565480388.db2.gz ZEYDRFOAHBDDCK-HOTGVXAUSA-N 1 0 382.913 2.670 20 0 GFADRO O[C@H](C[NH2+]C1CCN(CC(F)F)CC1)COc1cccc(Br)c1 ZINC000644532576 565480488 /nfs/dbraw/zinc/48/04/88/565480488.db2.gz ATJXYIGBRXPZCZ-CQSZACIVSA-N 1 0 393.272 2.508 20 0 GFADRO C[NH+]1CCN(c2cc(-c3noc(-c4occc4Br)n3)ccn2)CC1 ZINC000664933022 565484368 /nfs/dbraw/zinc/48/43/68/565484368.db2.gz FLPRYRMGGKVULW-UHFFFAOYSA-N 1 0 390.241 2.906 20 0 GFADRO CCN(CCC[N@@H+]1C[C@H](C(=O)OC)C[C@H](C(F)(F)F)C1)CC(F)(F)F ZINC000595620573 565485721 /nfs/dbraw/zinc/48/57/21/565485721.db2.gz FZWYTPRBTLWBBY-NEPJUHHUSA-N 1 0 378.357 2.934 20 0 GFADRO CCOC[C@@H]([NH2+]C[C@H](O)COc1cc(F)cc(Br)c1)C(C)C ZINC000644630991 565486056 /nfs/dbraw/zinc/48/60/56/565486056.db2.gz VENHQZRQGPYNRM-GOEBONIOSA-N 1 0 378.282 2.979 20 0 GFADRO COC[C@@H]([NH2+]Cc1ccc(C(=O)OC)cc1Br)C1CCOCC1 ZINC000595616880 565486502 /nfs/dbraw/zinc/48/65/02/565486502.db2.gz OOZWDUBEHNHVJC-MRXNPFEDSA-N 1 0 386.286 2.767 20 0 GFADRO CC(=O)Nc1ccc(C[NH2+]C[C@@H](O)COc2ccc(Cl)c(Cl)c2)cn1 ZINC000644634449 565486698 /nfs/dbraw/zinc/48/66/98/565486698.db2.gz DCDLVQGDESURIC-CYBMUJFWSA-N 1 0 384.263 2.876 20 0 GFADRO COCC1(C[NH2+]CCC(=O)Nc2cccc(Br)c2)CCOCC1 ZINC000644652161 565487706 /nfs/dbraw/zinc/48/77/06/565487706.db2.gz WOIVZBBSMLUJOA-UHFFFAOYSA-N 1 0 385.302 2.811 20 0 GFADRO Cn1ccnc1[C@H]([NH2+]C[C@H](O)COc1ccc(Br)cc1)C1CC1 ZINC000644645688 565487782 /nfs/dbraw/zinc/48/77/82/565487782.db2.gz BZFHVWHRXBYRGC-GOEBONIOSA-N 1 0 380.286 2.663 20 0 GFADRO CC(C)(C)OC(=O)[C@]12COC[C@H]1CN(Cc1cncc(Br)c1)C2 ZINC000595718987 565489023 /nfs/dbraw/zinc/48/90/23/565489023.db2.gz UOZXNRPLOBKVKO-CXAGYDPISA-N 1 0 383.286 2.634 20 0 GFADRO C[N@@H+]1C[C@@H]2CCN(Cc3noc(Cc4ccc(Br)cc4)n3)[C@@H]2C1 ZINC000644728290 565491307 /nfs/dbraw/zinc/49/13/07/565491307.db2.gz HADNYQIYGMAGGP-DZGCQCFKSA-N 1 0 377.286 2.559 20 0 GFADRO O=C(c1nc(C2CC2)ncc1Br)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000623060090 565493077 /nfs/dbraw/zinc/49/30/77/565493077.db2.gz DZZFEBANIHBFAC-GXTWGEPZSA-N 1 0 379.302 2.721 20 0 GFADRO CC(C)[C@H]([NH3+])CCN[C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000665281521 565494653 /nfs/dbraw/zinc/49/46/53/565494653.db2.gz FSDLEWKXMHMCNT-ZIAGYGMSSA-N 1 0 375.332 2.631 20 0 GFADRO CC(C)[N@H+](C[C@@H](O)COc1ccc(Cl)c(Cl)c1)C[C@@H]1CCC(=O)N1 ZINC000665262600 565495184 /nfs/dbraw/zinc/49/51/84/565495184.db2.gz MILCLPKTSMTPLO-QWHCGFSZSA-N 1 0 375.296 2.722 20 0 GFADRO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)[C@@H]2CC(=O)N(c3cc(Cl)cc(Cl)c3)C2)C1 ZINC000644818625 565496815 /nfs/dbraw/zinc/49/68/15/565496815.db2.gz MXHGZWQGECXJIP-OZVIIMIRSA-N 1 0 382.291 2.509 20 0 GFADRO C[N@@H+]1C[C@@H]2CCCN(C(=O)c3cc(=O)[nH]c4ccc(Br)cc43)[C@@H]2C1 ZINC000644826605 565496900 /nfs/dbraw/zinc/49/69/00/565496900.db2.gz CEIPDCQSSIDKSY-MEDUHNTESA-N 1 0 390.281 2.869 20 0 GFADRO O=C(c1c[nH]nc1[C@H]1CC[NH2+]C1)N1CCc2ccc(F)c(Br)c2C1 ZINC000623232577 565500388 /nfs/dbraw/zinc/50/03/88/565500388.db2.gz QQUHAVIBYDMGDI-NSHDSACASA-N 1 0 393.260 2.587 20 0 GFADRO C[C@@H]1CCCN(C(=O)c2cc(I)c[nH]2)[C@@H]1CCC[NH3+] ZINC000595973394 565503738 /nfs/dbraw/zinc/50/37/38/565503738.db2.gz LAHVKUORLIOJBP-ZWNOBZJWSA-N 1 0 375.254 2.599 20 0 GFADRO C[NH+]1CCN(CCCNC(=O)c2cc(Br)c3ccccc3c2)CC1 ZINC000644945451 565504168 /nfs/dbraw/zinc/50/41/68/565504168.db2.gz GOVCCMIYDKVLCA-UHFFFAOYSA-N 1 0 390.325 2.970 20 0 GFADRO COC(=O)c1sc2c(c1Br)CN(C(=O)[C@H]1CC[C@H](C3CC3)[NH2+]1)C2 ZINC000596007106 565505508 /nfs/dbraw/zinc/50/55/08/565505508.db2.gz ZVZDQDQRHOMFQM-GHMZBOCLSA-N 1 0 399.310 2.670 20 0 GFADRO C[C@H](NC(=O)Nc1cnc2c(Br)cccn12)C1CC[NH+](C)CC1 ZINC000645010106 565507665 /nfs/dbraw/zinc/50/76/65/565507665.db2.gz NCMJMGGXZIZQPO-NSHDSACASA-N 1 0 380.290 2.949 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)N[C@@H]1CCCC(F)(F)[C@H]1O)c1ccc(Cl)cc1 ZINC000665723964 565509286 /nfs/dbraw/zinc/50/92/86/565509286.db2.gz RQWBFUJKHQRPDB-ILXRZTDVSA-N 1 0 375.847 2.791 20 0 GFADRO COc1cc(C[NH2+]CCNS(=O)(=O)c2cccs2)cc(C(F)(F)F)c1 ZINC000623469667 565513469 /nfs/dbraw/zinc/51/34/69/565513469.db2.gz KRNBMMVBWXQOJH-UHFFFAOYSA-N 1 0 394.440 2.844 20 0 GFADRO COc1cc(CNC(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c(Br)cc1O ZINC000645172008 565514312 /nfs/dbraw/zinc/51/43/12/565514312.db2.gz DNTRBKAKOOOFKH-QWHCGFSZSA-N 1 0 398.301 2.589 20 0 GFADRO C[C@H](O)C[C@H](C)[NH2+]Cc1cc(Cl)cc(Cl)c1OCCN1CCOCC1 ZINC000623489204 565514836 /nfs/dbraw/zinc/51/48/36/565514836.db2.gz UVRSGYYTWDUIOT-KBPBESRZSA-N 1 0 391.339 2.953 20 0 GFADRO COc1ccc(Br)c(NC(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)c1 ZINC000665920766 565515883 /nfs/dbraw/zinc/51/58/83/565515883.db2.gz QLTCCTGQYAFLON-CYBMUJFWSA-N 1 0 398.301 2.833 20 0 GFADRO O=S1(=O)CC[C@@H](CC[NH2+]C2(Cc3ccc(F)cc3Cl)CCOCC2)C1 ZINC000645243065 565519369 /nfs/dbraw/zinc/51/93/69/565519369.db2.gz PHBNXMGQHHSEKJ-CQSZACIVSA-N 1 0 389.920 2.985 20 0 GFADRO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)c1ccn(-c2ccc(Br)cc2)n1 ZINC000645345772 565521423 /nfs/dbraw/zinc/52/14/23/565521423.db2.gz OQRGCJSAGUGGNY-OAHLLOKOSA-N 1 0 389.297 2.849 20 0 GFADRO COc1ccc(NC(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)cc1Br ZINC000666064240 565521535 /nfs/dbraw/zinc/52/15/35/565521535.db2.gz JEPQISUOTOVDPN-CQSZACIVSA-N 1 0 398.301 2.521 20 0 GFADRO Cc1ccc(O)c(C[NH2+][C@]2(CO)CCc3cc(Br)ccc3C2)n1 ZINC000623643935 565522080 /nfs/dbraw/zinc/52/20/80/565522080.db2.gz HUMJGOZONXTHOR-GOSISDBHSA-N 1 0 377.282 2.868 20 0 GFADRO CCCN(C(=O)NCCOc1ncc(Cl)cc1Cl)[C@@H]1CC[N@H+](C)C1 ZINC000645370485 565522355 /nfs/dbraw/zinc/52/23/55/565522355.db2.gz SRVAPRWPCZCEIV-CYBMUJFWSA-N 1 0 375.300 2.893 20 0 GFADRO CCc1nn(C)cc1C[NH2+][C@]1(CO)CCc2cc(Br)ccc2C1 ZINC000623644794 565522638 /nfs/dbraw/zinc/52/26/38/565522638.db2.gz APSUOBWQDWNGBL-GOSISDBHSA-N 1 0 378.314 2.755 20 0 GFADRO O=c1ccc([C@@H]2OCC[C@H]2[NH2+]Cc2cc3c(c(Br)c2)OCO3)c[nH]1 ZINC000623737236 565527648 /nfs/dbraw/zinc/52/76/48/565527648.db2.gz VDQMHPBEXXJJSH-CJNGLKHVSA-N 1 0 393.237 2.898 20 0 GFADRO C[C@@H](C[NH+](C)C)NC(=O)NCc1cc(Cl)ccc1I ZINC000596600202 565528541 /nfs/dbraw/zinc/52/85/41/565528541.db2.gz CKHCFUKASNWTME-VIFPVBQESA-N 1 0 395.672 2.694 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+][C@H]1CO[C@H](C2CC2)C1 ZINC000623754855 565529505 /nfs/dbraw/zinc/52/95/05/565529505.db2.gz UVFIPFLPCUQWAV-CXMBCZLWSA-N 1 0 397.313 2.620 20 0 GFADRO O=S(=O)(Cc1ccc(Br)cc1Cl)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000645490416 565530078 /nfs/dbraw/zinc/53/00/78/565530078.db2.gz KRZGGGXZOXNAHL-GFCCVEGCSA-N 1 0 393.734 2.759 20 0 GFADRO O=S(=O)(Cc1cc(Cl)ccc1Br)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000645490188 565530671 /nfs/dbraw/zinc/53/06/71/565530671.db2.gz FCNNFIOKLRCPBJ-GFCCVEGCSA-N 1 0 393.734 2.759 20 0 GFADRO COc1ccc(I)c(NC(=O)NCC[C@H](C)[NH+](C)C)c1 ZINC000596707881 565532493 /nfs/dbraw/zinc/53/24/93/565532493.db2.gz JVDJPCLVXSYKKE-JTQLQIEISA-N 1 0 391.253 2.762 20 0 GFADRO C[C@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+]CC(=O)NCC(F)(F)F ZINC000623876048 565533872 /nfs/dbraw/zinc/53/38/72/565533872.db2.gz GFHBAGJYAFWTQH-SSDOTTSWSA-N 1 0 377.716 2.953 20 0 GFADRO Cc1cc(CNC(=O)N2CCOC3(CC[NH+](C)CC3)C2)ccc1Br ZINC000645540493 565536409 /nfs/dbraw/zinc/53/64/09/565536409.db2.gz VCDBNOROYDHUCR-UHFFFAOYSA-N 1 0 396.329 2.764 20 0 GFADRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1cc(Br)cc2c1OCCO2 ZINC000666452276 565538168 /nfs/dbraw/zinc/53/81/68/565538168.db2.gz YOBTYRQKMPKLOW-KBPBESRZSA-N 1 0 381.270 2.577 20 0 GFADRO Cn1nccc1[C@@H](CO)[NH2+][C@@H](c1cccc(Br)c1)C1CCOCC1 ZINC000624021593 565540387 /nfs/dbraw/zinc/54/03/87/565540387.db2.gz PQQAMABNIQAQST-SJLPKXTDSA-N 1 0 394.313 2.974 20 0 GFADRO C[C@@H](O)C[N@@H+]1CCN(c2nccc(-c3ccc(Br)cc3)n2)[C@H](C)C1 ZINC000624119231 565544059 /nfs/dbraw/zinc/54/40/59/565544059.db2.gz ZWYHATFPRUMKAU-ZIAGYGMSSA-N 1 0 391.313 2.797 20 0 GFADRO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)Nc1nnc(SCc2ccccc2)s1 ZINC000666652217 565546787 /nfs/dbraw/zinc/54/67/87/565546787.db2.gz SSTKDKSILULYLW-STQMWFEESA-N 1 0 381.502 2.994 20 0 GFADRO Cc1cccc2cc(S(=O)(=O)NCCC[N@@H+]3CCCO[C@H](C)C3)sc21 ZINC000645681035 565550941 /nfs/dbraw/zinc/55/09/41/565550941.db2.gz JLHHFVUSMAZRLJ-OAHLLOKOSA-N 1 0 382.551 2.989 20 0 GFADRO COc1ccc(Br)cc1C(=O)CCC(=O)N1CCN(C)C[C@@H]1C ZINC000597158306 565553133 /nfs/dbraw/zinc/55/31/33/565553133.db2.gz LMAVLYZVKQBLPT-LBPRGKRZSA-N 1 0 383.286 2.583 20 0 GFADRO Cc1cc(Br)c(F)cc1S(=O)(=O)N[C@@H]1CC[NH2+]CC1(C)C ZINC000624370341 565553711 /nfs/dbraw/zinc/55/37/11/565553711.db2.gz HAELAJZIPKLGSI-CYBMUJFWSA-N 1 0 379.295 2.563 20 0 GFADRO Cc1nc(NC(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)ccc1Br ZINC000666723147 565553913 /nfs/dbraw/zinc/55/39/13/565553913.db2.gz XRZLQRHJBHIYCJ-ZDUSSCGKSA-N 1 0 385.306 2.727 20 0 GFADRO COc1cc(Br)c(C[NH2+][C@@H]2CCC[C@@H]([S@](C)=O)C2)cc1O ZINC000597183336 565554427 /nfs/dbraw/zinc/55/44/27/565554427.db2.gz STMYFRHNQPQKJA-ZSMADZGOSA-N 1 0 376.316 2.943 20 0 GFADRO CC(C)Oc1ccc(S(=O)(=O)N2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1 ZINC000624390513 565554907 /nfs/dbraw/zinc/55/49/07/565554907.db2.gz CWADCOFMACONPI-IUODEOHRSA-N 1 0 380.432 2.622 20 0 GFADRO CN(CCOCC[NH3+])S(=O)(=O)c1ccc(Oc2cccc(Cl)c2)cc1 ZINC000624409811 565555726 /nfs/dbraw/zinc/55/57/26/565555726.db2.gz SDNBTKXTWOOORL-UHFFFAOYSA-N 1 0 384.885 2.728 20 0 GFADRO C[C@H]1CN(S(=O)(=O)c2ncccc2C(F)(F)F)CC[N@@H+](C2CCC2)C1 ZINC000645725889 565556617 /nfs/dbraw/zinc/55/66/17/565556617.db2.gz GVCYNHQPEFOWER-GFCCVEGCSA-N 1 0 377.432 2.595 20 0 GFADRO C[NH+](C)CC(C)(C)NS(=O)(=O)Cc1ccc(Br)cc1Cl ZINC000645751910 565558513 /nfs/dbraw/zinc/55/85/13/565558513.db2.gz SFPIIOIHSDVFPB-UHFFFAOYSA-N 1 0 383.739 2.862 20 0 GFADRO C[NH+](C)CC1CN(C(=O)c2ccc(Cl)c(I)c2)C1 ZINC000597708799 565570657 /nfs/dbraw/zinc/57/06/57/565570657.db2.gz OOALLKOZZWTRJI-UHFFFAOYSA-N 1 0 378.641 2.578 20 0 GFADRO Cc1ccc(Br)c(NC(=O)C(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)c1 ZINC000645819762 565564842 /nfs/dbraw/zinc/56/48/42/565564842.db2.gz WDAJXEZVDURGKJ-GOSISDBHSA-N 1 0 394.313 2.640 20 0 GFADRO CC[C@@H]1C[N@H+](C)CCCN1C(=O)Cc1ccccc1I ZINC000597604505 565566922 /nfs/dbraw/zinc/56/69/22/565566922.db2.gz JGBZFQDRLHAMRG-CQSZACIVSA-N 1 0 386.277 2.776 20 0 GFADRO Cc1nc(CS(=O)(=O)N2c3ccc(C)cc3[C@@H]3C[N@H+](C)CC[C@H]32)cs1 ZINC000645875956 565570605 /nfs/dbraw/zinc/57/06/05/565570605.db2.gz BOMGGVITJLLHSW-FUHWJXTLSA-N 1 0 377.535 2.898 20 0 GFADRO CCN(CCC[NH+](C)C)C(=O)NCc1cc(OC)c(O)cc1Br ZINC000645923784 565575765 /nfs/dbraw/zinc/57/57/65/565575765.db2.gz WVROYBRVUKNQGW-UHFFFAOYSA-N 1 0 388.306 2.647 20 0 GFADRO CC[C@@H](C(=O)NCc1cc(Cl)ccc1I)[NH+](C)C ZINC000597896491 565580822 /nfs/dbraw/zinc/58/08/22/565580822.db2.gz FISBFGHTQSDNTF-LBPRGKRZSA-N 1 0 380.657 2.901 20 0 GFADRO Cc1csc(=O)n1CC[NH2+][C@H](CCO)c1cccc(OC(F)(F)F)c1 ZINC000646017645 565582402 /nfs/dbraw/zinc/58/24/02/565582402.db2.gz QTHWXCJGQCGQCK-CQSZACIVSA-N 1 0 376.400 2.830 20 0 GFADRO Cc1sc(Br)c(C(=O)N2CCC[C@](O)(C[NH+](C)C)C2)c1C ZINC000646023319 565582935 /nfs/dbraw/zinc/58/29/35/565582935.db2.gz RIGOOOOROZRUGJ-HNNXBMFYSA-N 1 0 375.332 2.656 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000646010432 565582979 /nfs/dbraw/zinc/58/29/79/565582979.db2.gz MXTHCFBLALECDL-DAXOMENPSA-N 1 0 384.307 2.945 20 0 GFADRO Cc1cc(Br)c(F)cc1S(=O)(=O)N(C)CC1CC[NH+](C)CC1 ZINC000624954275 565584729 /nfs/dbraw/zinc/58/47/29/565584729.db2.gz FHSHRKOBDYRDCQ-UHFFFAOYSA-N 1 0 393.322 2.859 20 0 GFADRO CCC(F)(F)C(C)(C)CS(=O)(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000624957165 565584949 /nfs/dbraw/zinc/58/49/49/565584949.db2.gz ZNQOSPXRYYLTPO-UHFFFAOYSA-N 1 0 382.517 2.622 20 0 GFADRO CC[NH+](CC)CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@@H]1CCNC1=O ZINC000667430375 565586922 /nfs/dbraw/zinc/58/69/22/565586922.db2.gz MNRZRYCSOHFXDL-CQSZACIVSA-N 1 0 386.323 2.800 20 0 GFADRO CCN(C(=O)c1ccc(I)cc1F)[C@H]1CC[N@H+](CC)C1 ZINC000598042819 565590849 /nfs/dbraw/zinc/59/08/49/565590849.db2.gz YRZOYNCHEWCQFI-LBPRGKRZSA-N 1 0 390.240 2.987 20 0 GFADRO O=C(CCCCc1ccc(Br)cc1)N[C@@H](CO)C[NH+]1CCCC1 ZINC000646223978 565591473 /nfs/dbraw/zinc/59/14/73/565591473.db2.gz NIZKIQADIUEAHR-QGZVFWFLSA-N 1 0 383.330 2.735 20 0 GFADRO CC(C)[C@H]1CN(C(=O)C(=O)Nc2cc(Cl)ccc2C(F)(F)F)CC[NH2+]1 ZINC000667520364 565592339 /nfs/dbraw/zinc/59/23/39/565592339.db2.gz AIRYAHMVITYGSF-CYBMUJFWSA-N 1 0 377.794 2.754 20 0 GFADRO CC(C)c1cc(Br)ccc1NC(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000667536540 565593238 /nfs/dbraw/zinc/59/32/38/565593238.db2.gz CBSPABBIOVLKLA-LRDDRELGSA-N 1 0 394.313 2.721 20 0 GFADRO C[C@H](Cc1c(Cl)cccc1Cl)NC(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000646273309 565593418 /nfs/dbraw/zinc/59/34/18/565593418.db2.gz PQDRWRAPYBSKSG-VXGBXAGGSA-N 1 0 382.295 2.698 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)C(=O)N1CC[C@@H]([NH3+])[C@H](CC)C1 ZINC000667550232 565594694 /nfs/dbraw/zinc/59/46/94/565594694.db2.gz IEKIAXPZLKUMJX-TZMCWYRMSA-N 1 0 382.302 2.536 20 0 GFADRO CC[C@@H]1CN(C(=O)C(=O)Nc2c(C)cc(C)cc2Br)CC[C@H]1[NH3+] ZINC000667548725 565594927 /nfs/dbraw/zinc/59/49/27/565594927.db2.gz SXVICKHCXVKXKW-TZMCWYRMSA-N 1 0 382.302 2.590 20 0 GFADRO COC(=O)[C@@H](NC(=O)C1CC[NH+](C(C)C)CC1)c1ccccc1Br ZINC000598181652 565597651 /nfs/dbraw/zinc/59/76/51/565597651.db2.gz BSVGDAIJQINWEB-INIZCTEOSA-N 1 0 397.313 2.900 20 0 GFADRO NS(=O)(=O)C[C@H]1CCC[N@H+](Cc2cc3cc(Br)ccc3o2)C1 ZINC000667617686 565598108 /nfs/dbraw/zinc/59/81/08/565598108.db2.gz ZFHSOMVLKJPYBV-NSHDSACASA-N 1 0 387.299 2.696 20 0 GFADRO NS(=O)(=O)C[C@@H]1CCC[N@H+](Cc2cc3cc(Br)ccc3o2)C1 ZINC000667617685 565598287 /nfs/dbraw/zinc/59/82/87/565598287.db2.gz ZFHSOMVLKJPYBV-LLVKDONJSA-N 1 0 387.299 2.696 20 0 GFADRO O=C([C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000646342060 565598740 /nfs/dbraw/zinc/59/87/40/565598740.db2.gz VSKOKTLDXIWPMU-FFSVYQOJSA-N 1 0 382.291 2.557 20 0 GFADRO Cc1nc(NC(=O)COCC[NH3+])sc1Cc1cccc(Br)c1 ZINC000646424138 565602258 /nfs/dbraw/zinc/60/22/58/565602258.db2.gz DBYVLZNSPCAVFD-UHFFFAOYSA-N 1 0 384.299 2.719 20 0 GFADRO O[C@H]1CCC[C@H]1[NH+]1CCN(Cc2ccc(Br)c(F)c2F)CC1 ZINC000625135368 565602360 /nfs/dbraw/zinc/60/23/60/565602360.db2.gz KUFOWHGCDWLNIK-KGLIPLIRSA-N 1 0 375.257 2.758 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+](C2CCCCC2)C1)c1cncc(I)c1 ZINC000598218496 565602499 /nfs/dbraw/zinc/60/24/99/565602499.db2.gz GLUFKUJJUSFGJA-CQSZACIVSA-N 1 0 399.276 2.823 20 0 GFADRO C[C@H](C(=O)N1CCOC[C@@H]1[C@@H]1CCC[N@@H+]1C)c1ccc(Br)s1 ZINC000646447199 565603061 /nfs/dbraw/zinc/60/30/61/565603061.db2.gz RIMBNFCBMSYBDX-RWMBFGLXSA-N 1 0 387.343 2.936 20 0 GFADRO C[N@@H+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)c1cc2cc(Br)ccc2[nH]1 ZINC000646446413 565604279 /nfs/dbraw/zinc/60/42/79/565604279.db2.gz HELQHBCSSRTWNY-SJORKVTESA-N 1 0 392.297 2.866 20 0 GFADRO COCCOC[C@@H]1CC[N@@H+]([C@H]2CCc3cc(Br)ccc3NC2=O)C1 ZINC000625190223 565605725 /nfs/dbraw/zinc/60/57/25/565605725.db2.gz SWYYYSRRYVEPPQ-DYVFJYSZSA-N 1 0 397.313 2.687 20 0 GFADRO C[C@H](NC(=O)Nc1cnc2c(c1)C[NH2+]CC2)c1ccc(Br)cn1 ZINC000667805030 565606151 /nfs/dbraw/zinc/60/61/51/565606151.db2.gz VPFKQIRWPVFCDK-JTQLQIEISA-N 1 0 376.258 2.768 20 0 GFADRO O=C(NCCc1ccc(Br)cc1)Nc1cnc2c(c1)C[NH2+]CC2 ZINC000667797239 565606193 /nfs/dbraw/zinc/60/61/93/565606193.db2.gz HHNRXYCLGXLEAP-UHFFFAOYSA-N 1 0 375.270 2.854 20 0 GFADRO CC[NH2+]CCCNC(=O)c1nn(-c2cccc(Br)c2)c2c1CCC2 ZINC000646625089 565611514 /nfs/dbraw/zinc/61/15/14/565611514.db2.gz NNVHGVAGFBKFMX-UHFFFAOYSA-N 1 0 391.313 2.853 20 0 GFADRO C[NH+](C)C1(C(=O)N2CCC(C(=O)Nc3ccccc3Br)CC2)CC1 ZINC000667901664 565611738 /nfs/dbraw/zinc/61/17/38/565611738.db2.gz UOZGNSMVFFEIDK-UHFFFAOYSA-N 1 0 394.313 2.720 20 0 GFADRO C[C@H](C[NH+]1CCCCC1)NC(=O)c1cc(Br)cc2[nH]c(=O)[nH]c21 ZINC000646664188 565613329 /nfs/dbraw/zinc/61/33/29/565613329.db2.gz CSWZMNHGCNOUDX-SNVBAGLBSA-N 1 0 381.274 2.635 20 0 GFADRO CCCN(C(=O)C(=O)Nc1cc(Cl)c(Cl)cc1OC)[C@H]1CC[N@H+](C)C1 ZINC000646763777 565618220 /nfs/dbraw/zinc/61/82/20/565618220.db2.gz ISMHJHBMFGAEBX-NSHDSACASA-N 1 0 388.295 2.883 20 0 GFADRO O=C(NC[C@@H]1CC[N@@H+]1Cc1ccccc1)c1cc(I)c[nH]1 ZINC000598509741 565622170 /nfs/dbraw/zinc/62/21/70/565622170.db2.gz LUEKOWWYSYUROA-AWEZNQCLSA-N 1 0 395.244 2.624 20 0 GFADRO O=C(NC[C@H]1CC[N@@H+]1Cc1ccccc1)c1cc(I)c[nH]1 ZINC000598509743 565622493 /nfs/dbraw/zinc/62/24/93/565622493.db2.gz LUEKOWWYSYUROA-CQSZACIVSA-N 1 0 395.244 2.624 20 0 GFADRO Cc1sc2ncnc(SCCC(=O)N3CC[C@H]4C[N@@H+](C)C[C@@H]43)c2c1C ZINC000646927370 565627046 /nfs/dbraw/zinc/62/70/46/565627046.db2.gz JGUNKVVEDRICLG-KBPBESRZSA-N 1 0 376.551 2.953 20 0 GFADRO C[N@@H+]1CCCC[C@H](CNS(=O)(=O)c2ccc(Br)cc2F)C1 ZINC000625422300 565629350 /nfs/dbraw/zinc/62/93/50/565629350.db2.gz QTQOKOGFSJJAEU-LLVKDONJSA-N 1 0 379.295 2.598 20 0 GFADRO C[C@H](C[NH+]1CCOCC1)C(=O)NCC1(c2ccccc2Br)CCC1 ZINC000646971937 565630417 /nfs/dbraw/zinc/63/04/17/565630417.db2.gz RVPZNGNSIASIRY-OAHLLOKOSA-N 1 0 395.341 2.955 20 0 GFADRO O=C1Nc2ccc(Br)cc2CC[C@@H]1N1CCC(F)(F)[C@@H](CO)C1 ZINC000625442205 565631190 /nfs/dbraw/zinc/63/11/90/565631190.db2.gz QGFYAPWIKYOGAS-RISCZKNCSA-N 1 0 389.240 2.652 20 0 GFADRO CC[C@@H]1CN(C(=O)c2cc(=O)[nH]c3ccc(Br)cc32)CC[C@@H]1[NH3+] ZINC000647011911 565632139 /nfs/dbraw/zinc/63/21/39/565632139.db2.gz LWVSNKMMOAKVCM-YGRLFVJLSA-N 1 0 378.270 2.902 20 0 GFADRO CC[C@@H]1CN(C(=O)[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)CC[C@@H]1[NH3+] ZINC000647008995 565632387 /nfs/dbraw/zinc/63/23/87/565632387.db2.gz XFIDBWOQDCJVNW-KFNAQCHYSA-N 1 0 384.307 2.932 20 0 GFADRO Cc1csc(C(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)c1I ZINC000598666861 565632638 /nfs/dbraw/zinc/63/26/38/565632638.db2.gz ALHMQKKTWUMMGI-ZANVPECISA-N 1 0 376.263 2.615 20 0 GFADRO COC(=O)C[C@@H](NC(=O)CC[C@@H]1CCC[NH2+]C1)c1ccc(Br)cc1 ZINC000598664780 565633007 /nfs/dbraw/zinc/63/30/07/565633007.db2.gz MUJHAFHEVZRXKG-XJKSGUPXSA-N 1 0 397.313 2.949 20 0 GFADRO COCCN(CC[NH+](C)C)C(=O)c1cc(-c2cccc(Br)c2)no1 ZINC000668308748 565638529 /nfs/dbraw/zinc/63/85/29/565638529.db2.gz JVRONPATQXDXHE-UHFFFAOYSA-N 1 0 396.285 2.754 20 0 GFADRO Cc1cc(C)c(C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)c(C)c1Br ZINC000625564914 565640043 /nfs/dbraw/zinc/64/00/43/565640043.db2.gz ZAGKLWBFVGIZGD-CYBMUJFWSA-N 1 0 396.373 2.988 20 0 GFADRO CCN(C(=O)C(=O)NCCc1ccc(Cl)cc1Cl)[C@@H]1CC[N@H+](CC)C1 ZINC000668343382 565640958 /nfs/dbraw/zinc/64/09/58/565640958.db2.gz SRBSJUBBESKYIU-OAHLLOKOSA-N 1 0 386.323 2.595 20 0 GFADRO O[C@@H](C[NH2+]Cc1cc(OC(F)F)ccc1Br)COCC1CC1 ZINC000647176875 565643946 /nfs/dbraw/zinc/64/39/46/565643946.db2.gz CBLFEGYHYOCVSC-LBPRGKRZSA-N 1 0 380.229 2.928 20 0 GFADRO COc1ccc(S(=O)(=O)N(C2CC2)C2CC[NH2+]CC2)c(Cl)c1Cl ZINC000647190284 565644911 /nfs/dbraw/zinc/64/49/11/565644911.db2.gz RJAXJAZGKJGDLE-UHFFFAOYSA-N 1 0 379.309 2.907 20 0 GFADRO CC[C@H]([NH2+]Cc1ccc2c(c1)sc(=O)n2C)C(=O)NCc1cccs1 ZINC000647241059 565648287 /nfs/dbraw/zinc/64/82/87/565648287.db2.gz CIKMGMRXEHZDGA-AWEZNQCLSA-N 1 0 375.519 2.846 20 0 GFADRO O=S(=O)(c1cc(F)ccc1Br)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647238850 565648362 /nfs/dbraw/zinc/64/83/62/565648362.db2.gz WSBZONMQBIDUMA-FZMZJTMJSA-N 1 0 391.306 2.741 20 0 GFADRO O=S(=O)(c1ccc(F)c(Br)c1)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000647238040 565648570 /nfs/dbraw/zinc/64/85/70/565648570.db2.gz CRIIFLYJVXOPJV-IAQYHMDHSA-N 1 0 391.306 2.741 20 0 GFADRO O=S(=O)(Cc1ccc(Br)cc1Cl)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000647236987 565648777 /nfs/dbraw/zinc/64/87/77/565648777.db2.gz LRJJNZCMAWLSRT-ZDUSSCGKSA-N 1 0 393.734 2.759 20 0 GFADRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)c3cnc4ncc(Br)cc4c3)C2)C1 ZINC000647250405 565649176 /nfs/dbraw/zinc/64/91/76/565649176.db2.gz JISNGAVTCUOQQI-GOSISDBHSA-N 1 0 389.297 2.950 20 0 GFADRO C[C@H]1CN(S(=O)(=O)Cc2ccc(Br)cc2Cl)[C@@H](C)C[NH2+]1 ZINC000647250616 565649688 /nfs/dbraw/zinc/64/96/88/565649688.db2.gz JXNPNVXNOZBYQX-UWVGGRQHSA-N 1 0 381.723 2.615 20 0 GFADRO O=S(=O)(c1cc(Cl)ccc1OCC1CCC1)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000647264304 565650426 /nfs/dbraw/zinc/65/04/26/565650426.db2.gz XFPCDQDJRWTSGI-HOCLYGCPSA-N 1 0 384.929 2.891 20 0 GFADRO O=C1CC[C@@H]2C[N@H+](Cc3cnn(-c4ccc(Br)cc4)c3)CC[C@H]2N1 ZINC000668542152 565654421 /nfs/dbraw/zinc/65/44/21/565654421.db2.gz NZYPDWWUISLWEL-RHSMWYFYSA-N 1 0 389.297 2.735 20 0 GFADRO O=S(=O)(Cc1ccc(Br)cc1Cl)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000647304751 565655222 /nfs/dbraw/zinc/65/52/22/565655222.db2.gz CXKPZDNOXOHXIW-YGRLFVJLSA-N 1 0 393.734 2.616 20 0 GFADRO CCOc1cc(C[NH2+][C@@H]2CC[C@H](C)S(=O)(=O)C2)cc(Br)c1O ZINC000668561588 565655725 /nfs/dbraw/zinc/65/57/25/565655725.db2.gz KFZHRCRMKYSBKS-CMPLNLGQSA-N 1 0 392.315 2.609 20 0 GFADRO O=S(=O)(Cc1ccc(Cl)cc1Br)N[C@H]1CC12CC[NH2+]CC2 ZINC000647303215 565655728 /nfs/dbraw/zinc/65/57/28/565655728.db2.gz NAKITFTZBQSSOE-ZDUSSCGKSA-N 1 0 393.734 2.664 20 0 GFADRO [NH3+][C@H]1CCC[C@@H](CNS(=O)(=O)c2ccc(Br)c(Cl)c2)C1 ZINC000647316512 565656290 /nfs/dbraw/zinc/65/62/90/565656290.db2.gz NQTIVPHPYSFUSK-ZJUUUORDSA-N 1 0 381.723 2.898 20 0 GFADRO O=S(=O)(c1cc(Br)ccc1F)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000647323422 565658302 /nfs/dbraw/zinc/65/83/02/565658302.db2.gz ICKXYPUCBMVRED-VXGBXAGGSA-N 1 0 391.306 2.598 20 0 GFADRO Cn1cc(CCC[NH2+][C@@]2(CO)CCc3cc(Br)ccc3C2)cn1 ZINC000625795406 565660728 /nfs/dbraw/zinc/66/07/28/565660728.db2.gz UXJYKEJEUIBRSM-SFHVURJKSA-N 1 0 378.314 2.625 20 0 GFADRO CCCCNC(=O)CC[NH2+][C@@]1(CO)CCc2cc(Br)ccc2C1 ZINC000625795620 565660760 /nfs/dbraw/zinc/66/07/60/565660760.db2.gz XQUZYQLMIQFACB-SFHVURJKSA-N 1 0 383.330 2.565 20 0 GFADRO Brc1ccc(C[N@@H+]2CC[C@H]3COC[C@H]3C2)c(N2CCOCC2)c1 ZINC000668705092 565661804 /nfs/dbraw/zinc/66/18/04/565661804.db2.gz GEMIUBXPAMTIAW-JKSUJKDBSA-N 1 0 381.314 2.754 20 0 GFADRO Cc1ccccc1C[C@H](CO)[NH2+]C[C@@H](O)COc1cccc(Br)c1 ZINC000647525398 565662955 /nfs/dbraw/zinc/66/29/55/565662955.db2.gz YOIQFMZXQYPKRA-QZTJIDSGSA-N 1 0 394.309 2.690 20 0 GFADRO CC[C@H]([NH2+]C[C@H](O)COc1cccc(C(F)(F)F)c1)[C@@H](O)C(F)(F)F ZINC000647529433 565662965 /nfs/dbraw/zinc/66/29/65/565662965.db2.gz COUONEJRVMVODE-WCFLWFBJSA-N 1 0 375.309 2.737 20 0 GFADRO CC[C@H](O)CCC[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000647528885 565662975 /nfs/dbraw/zinc/66/29/75/565662975.db2.gz NESWRKHVVDUKDJ-QWHCGFSZSA-N 1 0 380.710 2.983 20 0 GFADRO CCC(CC)[C@H](O)C[NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000647523838 565662995 /nfs/dbraw/zinc/66/29/95/565662995.db2.gz MSWGDUGJIGOZPN-GDBMZVCRSA-N 1 0 378.282 2.715 20 0 GFADRO C[C@@H]1C[N@H+](Cc2ccc(Br)cc2N2CCOCC2)C[C@@]1(C)CO ZINC000668737292 565664444 /nfs/dbraw/zinc/66/44/44/565664444.db2.gz OQKDYNQTOVKAMX-KDOFPFPSSA-N 1 0 383.330 2.736 20 0 GFADRO C[C@H]1C[N@H+](Cc2ccc(Br)cc2N2CCOCC2)C[C@@]1(C)CO ZINC000668737293 565664736 /nfs/dbraw/zinc/66/47/36/565664736.db2.gz OQKDYNQTOVKAMX-KSSFIOAISA-N 1 0 383.330 2.736 20 0 GFADRO Cc1ccc(Br)c(CNC(=O)Nc2cnn(CC[NH+](C)C)c2)c1 ZINC000668806317 565667832 /nfs/dbraw/zinc/66/78/32/565667832.db2.gz IJLSFJALXPKVBY-UHFFFAOYSA-N 1 0 380.290 2.837 20 0 GFADRO C[NH+](C)[C@@]1(CNC(=O)[C@H]2CCCN2Cc2ccc(Cl)cc2)CCSC1 ZINC000625985541 565667913 /nfs/dbraw/zinc/66/79/13/565667913.db2.gz SNQCGBJBCNLLAJ-IEBWSBKVSA-N 1 0 381.973 2.858 20 0 GFADRO COc1ccc([C@H](C)NC(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)cc1Br ZINC000668844091 565668917 /nfs/dbraw/zinc/66/89/17/565668917.db2.gz CJSCYPNHYVSPDE-HUBLWGQQSA-N 1 0 382.302 2.912 20 0 GFADRO Cc1cc(Br)ccc1[C@H]1CCC[N@@H+]1CCCN1C(=O)CNC1=O ZINC000626009340 565669454 /nfs/dbraw/zinc/66/94/54/565669454.db2.gz GANYAXBLZKJTAZ-OAHLLOKOSA-N 1 0 380.286 2.836 20 0 GFADRO CC[N@@H+]1CCCC[C@H]1CNC(=O)CCNC(=O)c1ccc(Br)cc1 ZINC000599331590 565671304 /nfs/dbraw/zinc/67/13/04/565671304.db2.gz ZXWIKASXLABAIF-INIZCTEOSA-N 1 0 396.329 2.560 20 0 GFADRO C[C@@H]1C[C@H](c2ccc(Br)cc2)C[N@@H+]1CCN1C(=O)NC(C)(C)C1=O ZINC000626040076 565672963 /nfs/dbraw/zinc/67/29/63/565672963.db2.gz WMSNRVDGFKJRAN-OCCSQVGLSA-N 1 0 394.313 2.957 20 0 GFADRO Cc1cc(Br)c(F)c(C(=O)NCC2(O)CC[NH+](C(C)C)CC2)c1 ZINC000626107733 565675462 /nfs/dbraw/zinc/67/54/62/565675462.db2.gz YJQPKSJMKWKALP-UHFFFAOYSA-N 1 0 387.293 2.862 20 0 GFADRO OCC[C@H]([NH2+]C[C@@H](O)COC1CCOCC1)c1cc(Cl)cc(Cl)c1 ZINC000626101468 565675757 /nfs/dbraw/zinc/67/57/57/565675757.db2.gz TWURSNXCKNUIRW-WBVHZDCISA-N 1 0 378.296 2.563 20 0 GFADRO C[N@@H+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)c1[nH]c2ccccc2c1Br ZINC000647821064 565678586 /nfs/dbraw/zinc/67/85/86/565678586.db2.gz BRICSOIUINXZKQ-CABCVRRESA-N 1 0 392.297 2.866 20 0 GFADRO C[C@H]1C[C@H](N(C)C(=O)[C@@H]2CCO[C@H]2c2cncc(Br)c2)CC[N@@H+]1C ZINC000669129085 565678743 /nfs/dbraw/zinc/67/87/43/565678743.db2.gz SPXNRWGYKLVXBR-DXEWXGHRSA-N 1 0 396.329 2.863 20 0 GFADRO CC(=O)N[C@H](CC(=O)N1CC[C@H]([NH+](C)C)[C@@H]1C)c1ccc(Br)cc1 ZINC000647831958 565679872 /nfs/dbraw/zinc/67/98/72/565679872.db2.gz RVZZDQRBSFIEJN-VUCTXSBTSA-N 1 0 396.329 2.567 20 0 GFADRO C[C@H](NC(=O)c1cc(Br)cc2c1OCCO2)C(C)(C)C[NH+](C)C ZINC000669155490 565680118 /nfs/dbraw/zinc/68/01/18/565680118.db2.gz IJLMMVLAAFFDLJ-NSHDSACASA-N 1 0 385.302 2.926 20 0 GFADRO CNS(=O)(=O)C[C@H]1CCC[N@H+](CCOc2cc(Cl)ccc2Cl)C1 ZINC000626170418 565681790 /nfs/dbraw/zinc/68/17/90/565681790.db2.gz GPNFSSHSHVMBHL-LBPRGKRZSA-N 1 0 381.325 2.633 20 0 GFADRO O=C(CCNC(=O)[C@H]1CCC[NH2+]1)Nc1ccccc1SCC(F)(F)F ZINC000647917415 565683510 /nfs/dbraw/zinc/68/35/10/565683510.db2.gz OTAJEMXNPOQULW-GFCCVEGCSA-N 1 0 375.416 2.538 20 0 GFADRO CC(C)C[C@H](NC(=O)c1csc(C(F)(F)F)c1)C(=O)NCC[NH+](C)C ZINC000626284619 565686337 /nfs/dbraw/zinc/68/63/37/565686337.db2.gz CRMZZGYETYFDAY-LBPRGKRZSA-N 1 0 379.448 2.589 20 0 GFADRO CC[NH+](CC)C[C@H]1CCN(C(=O)c2cc(Br)cc3[nH]c(=O)[nH]c32)C1 ZINC000669338616 565686360 /nfs/dbraw/zinc/68/63/60/565686360.db2.gz IRVUORDHOPJBDK-LLVKDONJSA-N 1 0 395.301 2.835 20 0 GFADRO CCOc1cc(C[NH2+]CC(C)(C)[C@]2(O)CCOC2)cc(Br)c1O ZINC000648067764 565689387 /nfs/dbraw/zinc/68/93/87/565689387.db2.gz YMVXMNGCVBJRLP-KRWDZBQOSA-N 1 0 388.302 2.821 20 0 GFADRO CC[C@H](CNC(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1)Cc1cccc(Br)c1 ZINC000669489582 565690010 /nfs/dbraw/zinc/69/00/10/565690010.db2.gz RYYPBOIZROEQGG-GRDNDAEWSA-N 1 0 398.345 2.775 20 0 GFADRO CCc1c(NC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)n[nH]c1-c1ccc(Br)cc1 ZINC000648080696 565690308 /nfs/dbraw/zinc/69/03/08/565690308.db2.gz UKTLCSBICCMFFP-WDNDVIMCSA-N 1 0 375.270 2.806 20 0 GFADRO CC[C@@H]1CN(C(=O)NC[C@H](C)Oc2ccc(Br)cc2)CC[C@@H]1[NH3+] ZINC000669506348 565691492 /nfs/dbraw/zinc/69/14/92/565691492.db2.gz VAXHQDSJVSWWOA-ZENOOKHLSA-N 1 0 384.318 2.985 20 0 GFADRO CN(C(=O)NCc1cc(Br)cc2c1OCC2)[C@@H]1CCC[NH2+]CC1 ZINC000669561158 565692462 /nfs/dbraw/zinc/69/24/62/565692462.db2.gz QCXUKDDOISUTMH-OAHLLOKOSA-N 1 0 382.302 2.668 20 0 GFADRO C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1NC(=O)c1cc(=O)[nH]c2c(Br)cccc12 ZINC000648136812 565692604 /nfs/dbraw/zinc/69/26/04/565692604.db2.gz TZDPMFCNLIWPQG-HFBDOXOYSA-N 1 0 378.270 2.819 20 0 GFADRO [NH3+]C/C=C/CNC(=O)NCCOc1c(Cl)cc(Br)cc1Cl ZINC000669552928 565692733 /nfs/dbraw/zinc/69/27/33/565692733.db2.gz MJRXKURANZASDQ-OWOJBTEDSA-N 1 0 397.100 2.949 20 0 GFADRO COC(=O)c1cc(Br)c(F)cc1NC(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000599604263 565692850 /nfs/dbraw/zinc/69/28/50/565692850.db2.gz OEWQKKITZVZYGY-DTWKUNHWSA-N 1 0 388.237 2.637 20 0 GFADRO CC[NH+](CC)CCOCCNC(=O)c1ccc(Br)c(F)c1F ZINC000626445099 565693242 /nfs/dbraw/zinc/69/32/42/565693242.db2.gz ISHLRLKGUXNFTL-UHFFFAOYSA-N 1 0 379.245 2.816 20 0 GFADRO C[C@H]([NH3+])CNC(=O)N[C@@H](Cc1ccccn1)c1ccc(Br)cc1 ZINC000669568705 565693494 /nfs/dbraw/zinc/69/34/94/565693494.db2.gz JNBRUJGXGNRXLC-LRDDRELGSA-N 1 0 377.286 2.774 20 0 GFADRO CCn1c(CNC(=O)N[C@H]2CCC[NH2+]CC2)nc2cc(Br)ccc21 ZINC000669569842 565693508 /nfs/dbraw/zinc/69/35/08/565693508.db2.gz BVICEYRQZYBOEA-ZDUSSCGKSA-N 1 0 394.317 2.760 20 0 GFADRO C[C@@H](CC(=O)NCC[N@@H+]1CCc2ccccc2C1)n1cc(Br)cn1 ZINC000648233267 565695431 /nfs/dbraw/zinc/69/54/31/565695431.db2.gz IYFYTZFUTSNFRW-AWEZNQCLSA-N 1 0 391.313 2.771 20 0 GFADRO C[N@H+](CCCOc1cccc(I)c1)C[C@H]1C[C@@H](O)C1 ZINC000599674144 565695933 /nfs/dbraw/zinc/69/59/33/565695933.db2.gz ZMDPZQHJJDTJMZ-XBXGTLAGSA-N 1 0 375.250 2.763 20 0 GFADRO CS[C@@H]1CN(C(=O)c2ccc(Br)c(F)c2F)C[C@@H]1[NH+](C)C ZINC000599721724 565698709 /nfs/dbraw/zinc/69/87/09/565698709.db2.gz QIBPGRYMMKKPHR-WDEREUQCSA-N 1 0 379.270 2.845 20 0 GFADRO O=C(CCCCN1CCOCC1)N[C@@H]1CCOc2c(Br)cccc21 ZINC000669727314 565699964 /nfs/dbraw/zinc/69/99/64/565699964.db2.gz VODINEOPNNFBLK-MRXNPFEDSA-N 1 0 397.313 2.891 20 0 GFADRO C[C@@H]1C[C@H](N(C)C(=O)c2c3ccc(Br)cc3nn2C)CC[N@@H+]1C ZINC000648299716 565701456 /nfs/dbraw/zinc/70/14/56/565701456.db2.gz YLSVGYHAJFEPQZ-DGCLKSJQSA-N 1 0 379.302 2.891 20 0 GFADRO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3ccc(Br)cc32)C(=O)N1c1cnn(C)c1 ZINC000669848806 565705859 /nfs/dbraw/zinc/70/58/59/565705859.db2.gz STEZYSPRHFKRIY-SSKCKEOISA-N 1 0 389.297 2.954 20 0 GFADRO CN(CC1([NH+](C)C)CCC1)C(=O)c1c2ccc(Br)cc2nn1C ZINC000648365146 565706606 /nfs/dbraw/zinc/70/66/06/565706606.db2.gz SYQPCFZUXWBCFN-UHFFFAOYSA-N 1 0 379.302 2.892 20 0 GFADRO C[C@@H]([NH2+]CC(=O)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1)c1ccsc1 ZINC000669938050 565707983 /nfs/dbraw/zinc/70/79/83/565707983.db2.gz BUYGKRDYJMUGAX-UKRRQHHQSA-N 1 0 398.575 2.676 20 0 GFADRO O=C(Nc1cc(C(F)(F)F)ccc1Cl)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000626848013 565712779 /nfs/dbraw/zinc/71/27/79/565712779.db2.gz CFWLQKQVBHQJSM-GFCCVEGCSA-N 1 0 375.778 2.698 20 0 GFADRO CC(C)[C@@H]1C[NH2+]CCN1C(=O)C(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000626844516 565713552 /nfs/dbraw/zinc/71/35/52/565713552.db2.gz LWJNYKIODKOSPB-ZDUSSCGKSA-N 1 0 377.794 2.754 20 0 GFADRO C[C@H](COc1ccc(Cl)c(Cl)c1)[NH2+]CCCN1CCCS1(=O)=O ZINC000648448760 565713820 /nfs/dbraw/zinc/71/38/20/565713820.db2.gz DCJHVOQMOUXXIW-GFCCVEGCSA-N 1 0 381.325 2.776 20 0 GFADRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)Nc1cccnc1-c1ccc(Cl)s1 ZINC000626863913 565714255 /nfs/dbraw/zinc/71/42/55/565714255.db2.gz QWQYOOZFQFIBBJ-WDEREUQCSA-N 1 0 378.885 2.659 20 0 GFADRO CCOC(=O)c1[nH]c(C)c(C[N@H+](C)CCn2cc(Br)cn2)c1C ZINC000600164521 565716190 /nfs/dbraw/zinc/71/61/90/565716190.db2.gz MBNSQINCTDXZKP-UHFFFAOYSA-N 1 0 383.290 2.899 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000626959258 565716839 /nfs/dbraw/zinc/71/68/39/565716839.db2.gz AMRKSGVCWXEKHS-OCCSQVGLSA-N 1 0 397.317 2.526 20 0 GFADRO CC(C)(CNC(=O)NCC1([NH3+])CCOCC1)c1cccc(Br)c1 ZINC000626964090 565717014 /nfs/dbraw/zinc/71/70/14/565717014.db2.gz KMZASYVMZDGHLV-UHFFFAOYSA-N 1 0 384.318 2.534 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)N[C@H]2COc3c2cccc3Cl)CC[C@H]1C(F)(F)F ZINC000626999435 565718854 /nfs/dbraw/zinc/71/88/54/565718854.db2.gz ZYSGPWGYUKQEBC-XWIASGKRSA-N 1 0 377.794 2.942 20 0 GFADRO CN(CCOCC[NH3+])C(=O)NCc1cc(Cl)cc(Cl)c1OC(F)F ZINC000626998138 565718913 /nfs/dbraw/zinc/71/89/13/565718913.db2.gz NKYXXVJICXGQNX-UHFFFAOYSA-N 1 0 386.226 2.712 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)N[C@@H]2COc3c2cccc3Cl)CC[C@H]1C(F)(F)F ZINC000626999433 565719297 /nfs/dbraw/zinc/71/92/97/565719297.db2.gz ZYSGPWGYUKQEBC-IRUJWGPZSA-N 1 0 377.794 2.942 20 0 GFADRO C[NH2+]CCOCCNC(=O)N1C[C@@H](c2ccc(Br)cc2)C[C@H]1C ZINC000627169167 565724516 /nfs/dbraw/zinc/72/45/16/565724516.db2.gz FJSDYPLRBDIUSG-HIFRSBDPSA-N 1 0 384.318 2.573 20 0 GFADRO C[NH2+]CCOCCNC(=O)N[C@](C)(c1ccc(Br)cc1)C(C)C ZINC000627173910 565724869 /nfs/dbraw/zinc/72/48/69/565724869.db2.gz JNQKKHMWFKVAOX-KRWDZBQOSA-N 1 0 386.334 2.856 20 0 GFADRO CCCN(C(=O)NC[C@@H]1COCC[NH2+]1)[C@@H](C)c1ccccc1Br ZINC000627185039 565725211 /nfs/dbraw/zinc/72/52/11/565725211.db2.gz LMTGVKDTWIJWOG-UONOGXRCSA-N 1 0 384.318 2.920 20 0 GFADRO C[C@@H]1CC[C@@H](NC(=O)N2CCOC[C@@H]2c2ccc(Br)cc2)C[NH2+]1 ZINC000627209962 565726942 /nfs/dbraw/zinc/72/69/42/565726942.db2.gz JUFLTTMYZGETQM-DAXOMENPSA-N 1 0 382.302 2.673 20 0 GFADRO C[C@@H]1C[C@@H](c2ccc(Br)cc2)CN1C(=O)NCCOCCC[NH3+] ZINC000627220771 565727187 /nfs/dbraw/zinc/72/71/87/565727187.db2.gz YSPXHBIZSVRJAA-UKRRQHHQSA-N 1 0 384.318 2.702 20 0 GFADRO O=C(CCCOc1cccc(Cl)c1Cl)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000627257272 565728297 /nfs/dbraw/zinc/72/82/97/565728297.db2.gz DZUNVJJIEHNHMP-KBPBESRZSA-N 1 0 387.307 2.820 20 0 GFADRO O=C(c1sc2ccccc2c1Br)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000627267326 565730449 /nfs/dbraw/zinc/73/04/49/565730449.db2.gz MPGISGYRFHZYRN-RYUDHWBXSA-N 1 0 395.322 2.945 20 0 GFADRO Cc1c2cc(C(=O)N3CC[C@H]([N@@H+]4CC[C@H](O)C4)C3)[nH]c2ccc1Br ZINC000627271021 565730554 /nfs/dbraw/zinc/73/05/54/565730554.db2.gz PQDHUWOXFWOLFX-STQMWFEESA-N 1 0 392.297 2.520 20 0 GFADRO O=C(c1cc(Cl)c(F)cc1Br)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000627269164 565730579 /nfs/dbraw/zinc/73/05/79/565730579.db2.gz OFONKJURKICGSB-NXEZZACHSA-N 1 0 391.668 2.523 20 0 GFADRO Cc1cc(C)c(C(=O)N2CC[C@H]([N@@H+]3CC[C@@H](O)C3)C2)c(C)c1Br ZINC000627272720 565731287 /nfs/dbraw/zinc/73/12/87/565731287.db2.gz SXQDUIRJMOKYTC-LSDHHAIUSA-N 1 0 381.314 2.655 20 0 GFADRO C[C@@H](CNC(=O)C(=O)N[C@H]1CC[NH2+]C12CCC2)c1c(Cl)cccc1Cl ZINC000627365895 565734942 /nfs/dbraw/zinc/73/49/42/565734942.db2.gz BIPPNKHCNNRDSM-FZMZJTMJSA-N 1 0 384.307 2.614 20 0 GFADRO COc1ccc(CCC(=O)N(C)[C@@H]2C[NH+]3CCC2CC3)cc1Br ZINC000600514506 565735059 /nfs/dbraw/zinc/73/50/59/565735059.db2.gz DEZDDFJMHBZSBF-MRXNPFEDSA-N 1 0 381.314 2.943 20 0 GFADRO CN(C(=O)c1ccc(-n2cc(Br)cn2)cc1)[C@@H]1C[NH+]2CCC1CC2 ZINC000600514204 565735069 /nfs/dbraw/zinc/73/50/69/565735069.db2.gz FKOOOTBRNDLKRZ-QGZVFWFLSA-N 1 0 389.297 2.801 20 0 GFADRO Cc1cc(Br)c(F)c(C(=O)N2CCOC[C@@H]2[C@@H]2CCC[N@H+]2C)c1 ZINC000627518784 565739452 /nfs/dbraw/zinc/73/94/52/565739452.db2.gz UKXIBHMUOGGJIF-LSDHHAIUSA-N 1 0 385.277 2.832 20 0 GFADRO CC(C)OC(=O)Cc1nc(CN2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)cs1 ZINC000600723522 565746553 /nfs/dbraw/zinc/74/65/53/565746553.db2.gz VHRLHBGSHUZTJI-DGCLKSJQSA-N 1 0 379.448 2.596 20 0 GFADRO O=C(c1cc(F)ccc1Br)N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000627737978 565749693 /nfs/dbraw/zinc/74/96/93/565749693.db2.gz FVLKJHPIKHARHA-UHFFFAOYSA-N 1 0 385.277 2.915 20 0 GFADRO CC[N@@H+]1CCCC[C@@H]1CNS(=O)(=O)Cc1ccc(OC(F)(F)F)cc1 ZINC000600774524 565749682 /nfs/dbraw/zinc/74/96/82/565749682.db2.gz QTMAMGHTUFYJDM-CQSZACIVSA-N 1 0 380.432 2.879 20 0 GFADRO Cc1cc(NC(=O)C(=O)NC[C@H]2CCCC[N@@H+](C)C2)cc(C)c1Br ZINC000627827382 565754842 /nfs/dbraw/zinc/75/48/42/565754842.db2.gz XWGIHNFUEMFQDY-CQSZACIVSA-N 1 0 396.329 2.853 20 0 GFADRO C[C@]([NH3+])(C(=O)NCCN1Cc2ccccc2C1)c1ccc(Br)cc1 ZINC000649306392 565758135 /nfs/dbraw/zinc/75/81/35/565758135.db2.gz ONHZTKMHVDIFSB-LJQANCHMSA-N 1 0 388.309 2.755 20 0 GFADRO O=C(Nc1ccnn1-c1ccc(Br)cn1)c1ccc2c[nH+]cn2c1 ZINC000671224928 565758480 /nfs/dbraw/zinc/75/84/80/565758480.db2.gz ZGWGGLDBLNUKHY-UHFFFAOYSA-N 1 0 383.209 2.930 20 0 GFADRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000627921625 565762636 /nfs/dbraw/zinc/76/26/36/565762636.db2.gz HKBULVLOXYDXQM-SNVBAGLBSA-N 1 0 377.794 2.551 20 0 GFADRO CC(C)(C)OC(=O)C1(C[NH2+]Cc2ccc(Cl)c(S(N)(=O)=O)c2)CCC1 ZINC000601135785 565768259 /nfs/dbraw/zinc/76/82/59/565768259.db2.gz YJWBQUJBEGEVPX-UHFFFAOYSA-N 1 0 388.917 2.589 20 0 GFADRO C[C@@](CO)([NH2+]C[C@@H](O)COc1ccc(Cl)c(Cl)c1)c1cccc(O)c1 ZINC000649624763 565768864 /nfs/dbraw/zinc/76/88/64/565768864.db2.gz UMQUCDSBGKRDRW-KDOFPFPSSA-N 1 0 386.275 2.936 20 0 GFADRO Cc1cc(Br)c(Cl)cc1NC(=O)C(=O)NC[C@@H]1CCC[N@H+]1C ZINC000628028458 565769238 /nfs/dbraw/zinc/76/92/38/565769238.db2.gz NMAMJOAVYYIRFF-JTQLQIEISA-N 1 0 388.693 2.560 20 0 GFADRO Cc1ncsc1CCS(=O)(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000649635721 565770021 /nfs/dbraw/zinc/77/00/21/565770021.db2.gz CVOCMEVAGYPHSY-UHFFFAOYSA-N 1 0 385.599 2.912 20 0 GFADRO O[C@H](C[NH2+]C1(c2ccccc2Br)CCC1)COC1CCOCC1 ZINC000649646460 565771633 /nfs/dbraw/zinc/77/16/33/565771633.db2.gz FCMSPISCJIEOIT-CQSZACIVSA-N 1 0 384.314 2.974 20 0 GFADRO C[C@@H]1CCCN1S(=O)(=O)Nc1cc(Cl)ccc1OC1CC[NH+](C)CC1 ZINC000649686875 565774089 /nfs/dbraw/zinc/77/40/89/565774089.db2.gz FIPOXNZVYXKLQQ-CYBMUJFWSA-N 1 0 387.933 2.954 20 0 GFADRO CCN(CC)S(=O)(=O)c1ccc(CC[NH2+]Cc2cnc(C3CC3)o2)s1 ZINC000628213247 565780898 /nfs/dbraw/zinc/78/08/98/565780898.db2.gz DBSDINLTKFZWRC-UHFFFAOYSA-N 1 0 383.539 2.976 20 0 GFADRO COc1ccc(Cl)c2c1CCC[C@@H]2[N@H+](C)C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000649856763 565782114 /nfs/dbraw/zinc/78/21/14/565782114.db2.gz NXICDUHXYIZPDP-BBRMVZONSA-N 1 0 386.945 2.939 20 0 GFADRO COCC[N@@H+]1CCN(Cc2cn3cc(Br)ccc3n2)C(C)(C)C1 ZINC000649849418 565783059 /nfs/dbraw/zinc/78/30/59/565783059.db2.gz WIOGNMVASOVWOV-UHFFFAOYSA-N 1 0 381.318 2.639 20 0 GFADRO CCC[N@@H+]1CCC[C@H]1CNS(=O)(=O)Cc1ccc(OC(F)(F)F)cc1 ZINC000671704180 565783052 /nfs/dbraw/zinc/78/30/52/565783052.db2.gz DLOLBJUHUUOKTD-AWEZNQCLSA-N 1 0 380.432 2.879 20 0 GFADRO COc1cc(C)c(Br)cc1C(=O)NCCCN1CCC[N@H+](C)CC1 ZINC000671723059 565783377 /nfs/dbraw/zinc/78/33/77/565783377.db2.gz OBCOHMXIGBRNSU-UHFFFAOYSA-N 1 0 398.345 2.524 20 0 GFADRO CC[C@H](C[NH+]1CCCC1)NC(=O)CCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000671727791 565784124 /nfs/dbraw/zinc/78/41/24/565784124.db2.gz ONGSBXUPNPSQJM-MRXNPFEDSA-N 1 0 386.945 2.885 20 0 GFADRO CNC(=O)CC[C@@H]1CCCC[N@@H+]1Cc1cn2cc(Br)ccc2n1 ZINC000671733735 565784410 /nfs/dbraw/zinc/78/44/10/565784410.db2.gz OJYVGQWZUJWHNH-HNNXBMFYSA-N 1 0 379.302 2.978 20 0 GFADRO O=c1cc(C[N@H+]2CCC[C@@H]2[C@@H]2CCC[C@@H]2O)nc2ccc(Br)cn12 ZINC000649927489 565787600 /nfs/dbraw/zinc/78/76/00/565787600.db2.gz HWAWXZXPXPFWIK-XHSDSOJGSA-N 1 0 392.297 2.582 20 0 GFADRO C[C@H]1C[C@H]([NH3+])CN1C(=O)Nc1cc(Cl)ccc1I ZINC000601568291 565792195 /nfs/dbraw/zinc/79/21/95/565792195.db2.gz ZAVGGWBOHLPNRG-CBAPKCEASA-N 1 0 379.629 2.898 20 0 GFADRO Cc1ccc2c(Cl)c(C(=O)NCCC[N@@H+]3CCC[C@H]3C(N)=O)sc2c1 ZINC000628584741 565795395 /nfs/dbraw/zinc/79/53/95/565795395.db2.gz PDGSSPKDHLJYAW-ZDUSSCGKSA-N 1 0 379.913 2.933 20 0 GFADRO COC1CC[NH+](CCNc2ncc(Br)c(OC(C)(C)C)n2)CC1 ZINC000672232453 565799665 /nfs/dbraw/zinc/79/96/65/565799665.db2.gz VDWVEAAXXSUUMR-UHFFFAOYSA-N 1 0 387.322 2.939 20 0 GFADRO Cc1cnc(NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)c(Br)c1 ZINC000672330745 565803231 /nfs/dbraw/zinc/80/32/31/565803231.db2.gz ZMPDMRVARQVVQK-AGUYFDCRSA-N 1 0 381.318 2.648 20 0 GFADRO C[N@@H+]1CCCC[C@H](CNC(=O)[C@@H]2CCO[C@H]2c2cncc(Br)c2)C1 ZINC000628756503 565806572 /nfs/dbraw/zinc/80/65/72/565806572.db2.gz VOMRKTHULAVKFQ-XYPHTWIQSA-N 1 0 396.329 2.770 20 0 GFADRO Cc1nc(CS(=O)(=O)N2CC[N@H+](Cc3ccccc3)C[C@@H](C)C2)cs1 ZINC000650224872 565807614 /nfs/dbraw/zinc/80/76/14/565807614.db2.gz AQNNGBVAMGXPLC-OAHLLOKOSA-N 1 0 379.551 2.735 20 0 GFADRO O=C(CNC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1)c1cccc(F)c1Cl ZINC000628898448 565813880 /nfs/dbraw/zinc/81/38/80/565813880.db2.gz YKTDHWJBWCRRFM-CYBMUJFWSA-N 1 0 384.904 2.996 20 0 GFADRO CCCC[C@@H](NC(N)=O)C(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000628968600 565816848 /nfs/dbraw/zinc/81/68/48/565816848.db2.gz KOPFPIFZEWJUDP-HUUCEWRRSA-N 1 0 389.327 2.939 20 0 GFADRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1cnc2ncc(Br)cc2c1 ZINC000672867972 565820697 /nfs/dbraw/zinc/82/06/97/565820697.db2.gz IOAXHQZYYYITFY-BONVTDFDSA-N 1 0 375.270 2.605 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2Cc2cnc3ccc(Br)cn23)C1 ZINC000650723198 565834483 /nfs/dbraw/zinc/83/44/83/565834483.db2.gz ITLUKOGBVDFJRX-PVAVHDDUSA-N 1 0 393.329 2.958 20 0 GFADRO Cc1cc(Br)ccc1SCC(=O)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000673515300 565838730 /nfs/dbraw/zinc/83/87/30/565838730.db2.gz QUQBSGIGMZOAAH-GJZGRUSLSA-N 1 0 399.354 2.517 20 0 GFADRO COCC[N@H+](C)CCCNC(=O)c1ccc(Br)c(OC(C)C)c1 ZINC000651099004 565845585 /nfs/dbraw/zinc/84/55/85/565845585.db2.gz PMVZIOUPGMDKBN-UHFFFAOYSA-N 1 0 387.318 2.934 20 0 GFADRO C[S@](=O)C1(C(=O)Nc2nc(-c3ccccc3Cl)cs2)CC[NH2+]CC1 ZINC000602437257 565847568 /nfs/dbraw/zinc/84/75/68/565847568.db2.gz SIIFUDYPCDESJH-DEOSSOPVSA-N 1 0 383.926 2.903 20 0 GFADRO CC[NH+](CC)CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cnc(C)n1C ZINC000629351886 565848020 /nfs/dbraw/zinc/84/80/20/565848020.db2.gz JBGGYSTYSJBJGK-UHFFFAOYSA-N 1 0 384.933 2.919 20 0 GFADRO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000651158046 565848840 /nfs/dbraw/zinc/84/88/40/565848840.db2.gz HSCBVYRTRKLPLI-IUODEOHRSA-N 1 0 379.298 2.916 20 0 GFADRO COC(=O)C[C@H](NC(=O)c1oc(C[NH3+])cc1C)c1ccc(Br)cc1 ZINC000602443764 565849093 /nfs/dbraw/zinc/84/90/93/565849093.db2.gz LEYMRHDRMBBTRO-AWEZNQCLSA-N 1 0 395.253 2.843 20 0 GFADRO [NH3+]C1(CNCc2ccc(Br)c(Br)c2)CCOCC1 ZINC000629389069 565849758 /nfs/dbraw/zinc/84/97/58/565849758.db2.gz XBNDODYSMWOJDA-UHFFFAOYSA-N 1 0 378.108 2.809 20 0 GFADRO CCSCC[C@@H](C)N(C)C(=O)c1nnn(C2CC[NH2+]CC2)c1C(F)F ZINC000602460050 565849925 /nfs/dbraw/zinc/84/99/25/565849925.db2.gz AHBUULJGJJNPKE-LLVKDONJSA-N 1 0 375.489 2.744 20 0 GFADRO COC(=O)[C@H]1C[NH2+]CCCN1C(=O)c1cccc2c(Br)cccc12 ZINC000602491415 565850810 /nfs/dbraw/zinc/85/08/10/565850810.db2.gz HUTREAOCPMJHMX-MRXNPFEDSA-N 1 0 391.265 2.579 20 0 GFADRO CC(C)(CO)[NH+]1CCN(Cc2ncc(-c3ccccc3Br)o2)CC1 ZINC000673895558 565852258 /nfs/dbraw/zinc/85/22/58/565852258.db2.gz ICVZCPFRHGMZRH-UHFFFAOYSA-N 1 0 394.313 2.993 20 0 GFADRO O=C1Nc2ccc(Br)cc2CC[C@@H]1N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000629538278 565857852 /nfs/dbraw/zinc/85/78/52/565857852.db2.gz TUOHAYRVJAHYCI-WMZOPIPTSA-N 1 0 378.314 2.778 20 0 GFADRO COc1ncc(Br)cc1CN1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629564707 565859103 /nfs/dbraw/zinc/85/91/03/565859103.db2.gz UCNJUUPMQWMSRW-ZYHUDNBSSA-N 1 0 382.224 2.812 20 0 GFADRO C[C@H](NC(=O)CN1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1)c1ccccc1Cl ZINC000629566605 565859218 /nfs/dbraw/zinc/85/92/18/565859218.db2.gz MYXPQTAGRSIIFS-SGMGOOAPSA-N 1 0 377.838 2.976 20 0 GFADRO C[C@H](C(=O)NCc1ccc(Cl)cc1)N1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629563281 565859583 /nfs/dbraw/zinc/85/95/83/565859583.db2.gz DNYZILPLERJPKN-OSAQELSMSA-N 1 0 377.838 2.804 20 0 GFADRO C[N@H+](CC(=O)N[C@H](CCO)c1cc(Cl)cc(Cl)c1)[C@H]1CCSC1 ZINC000629586644 565860554 /nfs/dbraw/zinc/86/05/54/565860554.db2.gz BVYUWIFTABHVOQ-LSDHHAIUSA-N 1 0 377.337 2.970 20 0 GFADRO OCCOC1(C[NH2+]C[C@@H](O)Cc2cccc(Cl)c2)CCC(F)(F)CC1 ZINC000629590727 565861411 /nfs/dbraw/zinc/86/14/11/565861411.db2.gz JXFJLQRTPCKZTQ-INIZCTEOSA-N 1 0 377.859 2.790 20 0 GFADRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)c2cc(=O)c3cc(Br)ccc3[nH]2)C1 ZINC000602753550 565866045 /nfs/dbraw/zinc/86/60/45/565866045.db2.gz ZCJQHTKJNQSLHE-LBPRGKRZSA-N 1 0 392.297 2.751 20 0 GFADRO C[C@]12C[NH2+]C[C@@]1(C)CN(Cc1ccc(Br)cc1N1CCOCC1)C2 ZINC000629666061 565866516 /nfs/dbraw/zinc/86/65/16/565866516.db2.gz MILIJBTXGXVOBZ-KDURUIRLSA-N 1 0 394.357 2.717 20 0 GFADRO O=C(NC1CC[NH+](C2CC2)CC1)c1cc(=O)c2cc(Br)ccc2[nH]1 ZINC000602740099 565866952 /nfs/dbraw/zinc/86/69/52/565866952.db2.gz QVCHVKUCHHXDAA-UHFFFAOYSA-N 1 0 390.281 2.647 20 0 GFADRO COC1CC[NH+](CCNC(=O)[C@@H](C)c2ccc(Br)s2)CC1 ZINC000674309479 565867511 /nfs/dbraw/zinc/86/75/11/565867511.db2.gz JKUATHXHMSGDBD-NSHDSACASA-N 1 0 375.332 2.841 20 0 GFADRO COC1CC[NH+](CCNC(=O)NCCOc2cccc(Cl)c2Cl)CC1 ZINC000674328260 565868445 /nfs/dbraw/zinc/86/84/45/565868445.db2.gz ROIIQPOZLWVBQJ-UHFFFAOYSA-N 1 0 390.311 2.782 20 0 GFADRO CC[C@@H](C[NH+]1CCCC1)NS(=O)(=O)c1ccc(C)cc1Br ZINC000674345016 565870469 /nfs/dbraw/zinc/87/04/69/565870469.db2.gz ITMYJRVAYPISIG-ZDUSSCGKSA-N 1 0 375.332 2.910 20 0 GFADRO Cc1cc(Br)sc1S(=O)(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000651554025 565871260 /nfs/dbraw/zinc/87/12/60/565871260.db2.gz QZQIXCQBJMAFDR-LLVKDONJSA-N 1 0 379.345 2.582 20 0 GFADRO Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000629911528 565875760 /nfs/dbraw/zinc/87/57/60/565875760.db2.gz KNLDBWHTYTYCST-NSHDSACASA-N 1 0 384.263 2.753 20 0 GFADRO C[N@H+](CC(=O)N1CCO[C@@H](c2ccc(F)c(Br)c2)C1)C1CCC1 ZINC000629986182 565878128 /nfs/dbraw/zinc/87/81/28/565878128.db2.gz ZZQDOHOZRICOTI-MRXNPFEDSA-N 1 0 385.277 2.972 20 0 GFADRO CCO[C@H](CC[NH+](C)C)CNS(=O)(=O)Cc1cc(Cl)sc1Cl ZINC000651594793 565878063 /nfs/dbraw/zinc/87/80/63/565878063.db2.gz KIINSCCBVFXZRZ-LLVKDONJSA-N 1 0 389.370 2.831 20 0 GFADRO Cc1c(Br)cncc1C(=O)N1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000630094069 565880815 /nfs/dbraw/zinc/88/08/15/565880815.db2.gz ZBWGMMSKCDSZAS-ONGXEEELSA-N 1 0 380.208 2.752 20 0 GFADRO CCn1cnnc1CC[NH2+]Cc1nc(-c2cccc(Br)c2)c[nH]1 ZINC000674718901 565881076 /nfs/dbraw/zinc/88/10/76/565881076.db2.gz YGURRXLZMRJYFB-UHFFFAOYSA-N 1 0 375.274 2.783 20 0 GFADRO [NH3+]CCSCc1cn([C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)nn1 ZINC000603233544 565890722 /nfs/dbraw/zinc/89/07/22/565890722.db2.gz AHWACYNGHGXUBQ-CQSZACIVSA-N 1 0 386.308 2.755 20 0 GFADRO O=S(=O)(Cc1ccccc1Br)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000675103693 565891395 /nfs/dbraw/zinc/89/13/95/565891395.db2.gz FECGBKVRBHKERR-UHFFFAOYSA-N 1 0 393.266 2.972 20 0 GFADRO C[C@@H](NC(=O)C[C@H]1Sc2ccc(Cl)cc2NC1=O)C1CC[NH+](C)CC1 ZINC000603324733 565897710 /nfs/dbraw/zinc/89/77/10/565897710.db2.gz BHPQZAIZNQYNFE-BDJLRTHQSA-N 1 0 381.929 2.989 20 0 GFADRO CCOC(=O)c1nc(N2CC[N@@H+](C3CC3)C[C@@H](C)C2)ccc1Br ZINC000603386058 565902871 /nfs/dbraw/zinc/90/28/71/565902871.db2.gz SKXXFKFXBINYSP-GFCCVEGCSA-N 1 0 382.302 2.941 20 0 GFADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)CCCc1cccc(Br)c1 ZINC000675456645 565903590 /nfs/dbraw/zinc/90/35/90/565903590.db2.gz CHWIAJKTLQWIDR-OAHLLOKOSA-N 1 0 382.346 2.524 20 0 GFADRO CCSc1ccc(Cn2cnc3c(c2=O)CC[NH2+]CC3)c(Br)c1 ZINC000630583988 565910173 /nfs/dbraw/zinc/91/01/73/565910173.db2.gz UVUNKTWYLVYMMV-UHFFFAOYSA-N 1 0 394.338 2.854 20 0 GFADRO C[NH+]1CCN(CCNC(=O)c2cccc3c(Br)cccc23)CC1 ZINC000630621806 565911625 /nfs/dbraw/zinc/91/16/25/565911625.db2.gz CBHSQFUCVKLDHU-UHFFFAOYSA-N 1 0 376.298 2.580 20 0 GFADRO O=C(NCc1cn(-c2cc(Cl)c(Cl)cc2Cl)nn1)C1CC[NH2+]CC1 ZINC000630603353 565911913 /nfs/dbraw/zinc/91/19/13/565911913.db2.gz GMUIGEFTEBTBBB-UHFFFAOYSA-N 1 0 388.686 2.843 20 0 GFADRO O[C@]1(CC[NH2+]Cc2c(Br)cncc2Br)CCCOC1 ZINC000652041065 565913000 /nfs/dbraw/zinc/91/30/00/565913000.db2.gz SGAKWMDLTIHXKX-ZDUSSCGKSA-N 1 0 394.107 2.628 20 0 GFADRO Cc1ccc([C@@H](C[NH2+]Cc2ccc(Br)cn2)N2CCOCC2)o1 ZINC000603720504 565914508 /nfs/dbraw/zinc/91/45/08/565914508.db2.gz LEYPCSMYIZJDBJ-MRXNPFEDSA-N 1 0 380.286 2.909 20 0 GFADRO C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NCCCN1CCC[N@H+](C)CC1 ZINC000603812329 565915437 /nfs/dbraw/zinc/91/54/37/565915437.db2.gz OVKXAQVXDCLTQY-AWEZNQCLSA-N 1 0 388.339 2.905 20 0 GFADRO C[N@@H+]1CCCN(CCCNC(=O)c2ccc(Br)cc2Cl)CC1 ZINC000603812015 565916265 /nfs/dbraw/zinc/91/62/65/565916265.db2.gz CUGVWFZMVQCSHM-UHFFFAOYSA-N 1 0 388.737 2.860 20 0 GFADRO COc1ccc(Br)c(CNC(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)c1 ZINC000652134484 565916513 /nfs/dbraw/zinc/91/65/13/565916513.db2.gz VAIQXPGESCWWRU-GUYCJALGSA-N 1 0 382.302 2.728 20 0 GFADRO O=C(NCCC1CC[NH2+]CC1)N[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000652184208 565918484 /nfs/dbraw/zinc/91/84/84/565918484.db2.gz ZSUPDBICVDHZJY-MRXNPFEDSA-N 1 0 395.345 2.717 20 0 GFADRO C[N@@H+]1CCCN(CCCNC(=O)CCOc2ccc(Cl)cc2Cl)CC1 ZINC000603897992 565918816 /nfs/dbraw/zinc/91/88/16/565918816.db2.gz FPLXEMTXFNBJFT-UHFFFAOYSA-N 1 0 388.339 2.906 20 0 GFADRO CCO[C@@H]1CN(C(=O)NCC(C)(C)c2ccccc2Br)C[C@H]1C[NH3+] ZINC000652171256 565918853 /nfs/dbraw/zinc/91/88/53/565918853.db2.gz GJLITEXCGIAUMM-CZUORRHYSA-N 1 0 398.345 2.732 20 0 GFADRO C[C@@H](CCc1cccc(C(F)(F)F)c1)[NH2+]CC1(O)CCS(=O)(=O)CC1 ZINC000675900024 565920092 /nfs/dbraw/zinc/92/00/92/565920092.db2.gz UEHOKPYDVMMIQK-ZDUSSCGKSA-N 1 0 379.444 2.556 20 0 GFADRO O=C(Cc1nnc[nH]1)N(CC[NH+]1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC000630848536 565922614 /nfs/dbraw/zinc/92/26/14/565922614.db2.gz YZVJAJYITNBTTH-UHFFFAOYSA-N 1 0 382.295 2.779 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2CC(=O)Nc2ccc(Br)cc2)C1 ZINC000652360524 565924728 /nfs/dbraw/zinc/92/47/28/565924728.db2.gz KDZKHVDMNMBWJJ-OIISXLGYSA-N 1 0 396.329 2.748 20 0 GFADRO Cc1cc(Br)sc1S(=O)(=O)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000652372013 565924828 /nfs/dbraw/zinc/92/48/28/565924828.db2.gz NHMQLPGKWIYJAH-VXGBXAGGSA-N 1 0 393.372 2.972 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)N1CCO[C@@H](c2cccc(Br)c2)C1 ZINC000604205693 565925346 /nfs/dbraw/zinc/92/53/46/565925346.db2.gz PTPCWPNOSYUGNH-NVXWUHKLSA-N 1 0 394.313 2.769 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(S(=O)(=O)Cc3cc(Cl)ccc3F)C2)C1 ZINC000652374565 565925611 /nfs/dbraw/zinc/92/56/11/565925611.db2.gz VYWSSVAFMQHGTB-VMGRFDJRSA-N 1 0 390.908 2.527 20 0 GFADRO C[C@@H]1CCCN(S(=O)(=O)c2cc(Br)ccc2F)[C@H]1CC[NH3+] ZINC000652378152 565926581 /nfs/dbraw/zinc/92/65/81/565926581.db2.gz ZUGKXGSHEURQLS-MFKMUULPSA-N 1 0 379.295 2.726 20 0 GFADRO [NH3+]CC1(CCNS(=O)(=O)Cc2ccc(Br)cc2Cl)CC1 ZINC000652378656 565926842 /nfs/dbraw/zinc/92/68/42/565926842.db2.gz WGLPMEOJDGJWSM-UHFFFAOYSA-N 1 0 381.723 2.651 20 0 GFADRO C[NH+](C)C[C@@H]1CCCCN1C(=O)c1ccc2cncc(Br)c2n1 ZINC000630923035 565927368 /nfs/dbraw/zinc/92/73/68/565927368.db2.gz DCNSDXQYJFKVIC-ZDUSSCGKSA-N 1 0 377.286 2.949 20 0 GFADRO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCCN2S(=O)(=O)c2c(Cl)ccc(F)c2F)C1 ZINC000652383216 565927604 /nfs/dbraw/zinc/92/76/04/565927604.db2.gz GIJOWIZOOYJWRT-LERXQTSPSA-N 1 0 394.871 2.668 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2S(=O)(=O)c2cccc(Cl)c2F)C1 ZINC000652384752 565927819 /nfs/dbraw/zinc/92/78/19/565927819.db2.gz MEWWPCNVEQPSPB-XBFCOCLRSA-N 1 0 376.881 2.529 20 0 GFADRO CN(C[C@@H]1CCC[N@H+](C)C1)S(=O)(=O)c1ccc(OCC(F)(F)F)cc1 ZINC000604408003 565929882 /nfs/dbraw/zinc/92/98/82/565929882.db2.gz UWTNNYKIJXUSRC-CYBMUJFWSA-N 1 0 380.432 2.590 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)c(Br)c1 ZINC000676270500 565930660 /nfs/dbraw/zinc/93/06/60/565930660.db2.gz RIFUZPUWWQYVMC-AWEZNQCLSA-N 1 0 394.313 2.605 20 0 GFADRO Cc1ccc(NC(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)cc1Br ZINC000604612557 565933575 /nfs/dbraw/zinc/93/35/75/565933575.db2.gz BRAOKJMNWHWHMM-HZPDHXFCSA-N 1 0 382.302 2.820 20 0 GFADRO O=C(Cc1cc(F)ccc1Br)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000676370275 565933636 /nfs/dbraw/zinc/93/36/36/565933636.db2.gz BYLLETQITOKPAO-INIZCTEOSA-N 1 0 399.304 2.844 20 0 GFADRO Cc1ccc([C@@H](C[NH2+]Cc2ccncc2Br)N2CCOCC2)o1 ZINC000631036957 565935329 /nfs/dbraw/zinc/93/53/29/565935329.db2.gz KGTGPKPUZFANGJ-MRXNPFEDSA-N 1 0 380.286 2.909 20 0 GFADRO NS(=O)(=O)c1cc(C[NH2+]C[C@H]2CCN(c3ccccc3)C2)ccc1Cl ZINC000631039110 565935558 /nfs/dbraw/zinc/93/55/58/565935558.db2.gz CJANTDSDOALTHU-OAHLLOKOSA-N 1 0 379.913 2.604 20 0 GFADRO O=C(NCCC1CC[NH2+]CC1)C(=O)Nc1ccc(Cl)c(Br)c1 ZINC000652643316 565937310 /nfs/dbraw/zinc/93/73/10/565937310.db2.gz FBVUVHGHEFZIPK-UHFFFAOYSA-N 1 0 388.693 2.547 20 0 GFADRO Cc1ccc(-c2csc(NC(=O)C(=O)NCCC3CC[NH2+]CC3)n2)s1 ZINC000652642539 565937565 /nfs/dbraw/zinc/93/75/65/565937565.db2.gz ABTKBTNXAVCJTA-UHFFFAOYSA-N 1 0 378.523 2.624 20 0 GFADRO CN(Cc1ccccc1Br)C(=O)CC[NH2+]Cc1ccc(=O)[nH]c1 ZINC000631069910 565938968 /nfs/dbraw/zinc/93/89/68/565938968.db2.gz YCEQLRLLPOETMI-UHFFFAOYSA-N 1 0 378.270 2.688 20 0 GFADRO C[C@H](Cc1ccccc1Br)[NH2+]Cc1cn(C[C@H]2CCOC2)nn1 ZINC000631088858 565939973 /nfs/dbraw/zinc/93/99/73/565939973.db2.gz CBTUTXFKQFXRLA-ZIAGYGMSSA-N 1 0 379.302 2.798 20 0 GFADRO CN1CC[C@@H]([NH2+]Cc2ccc(Cl)c(S(N)(=O)=O)c2)[C@@H]1c1ccccc1 ZINC000631103214 565941903 /nfs/dbraw/zinc/94/19/03/565941903.db2.gz XMOFWTPTCXBWGV-AEFFLSMTSA-N 1 0 379.913 2.522 20 0 GFADRO C[C@H]([NH2+]Cc1ccc(Cl)c(S(N)(=O)=O)c1)[C@H](c1ccccc1)N(C)C ZINC000631114186 565942638 /nfs/dbraw/zinc/94/26/38/565942638.db2.gz SFEZHBYWSULGDY-SCLBCKFNSA-N 1 0 381.929 2.768 20 0 GFADRO C[C@H](Nc1cccc(OC(F)(F)F)c1S(N)(=O)=O)C(C)(C)C[NH+](C)C ZINC000631129487 565943409 /nfs/dbraw/zinc/94/34/09/565943409.db2.gz NIWZSAMPFWOUBZ-JTQLQIEISA-N 1 0 383.436 2.621 20 0 GFADRO CN1CCN(C(=O)c2cc[nH]c(=O)c2Br)[C@@H](Cc2ccccc2)C1 ZINC000652881784 565944464 /nfs/dbraw/zinc/94/44/64/565944464.db2.gz DQXVGFJRUWIKJC-AWEZNQCLSA-N 1 0 390.281 2.549 20 0 GFADRO CN(CC[NH+]1CCCCC1)C(=O)c1c2ccc(Br)cc2nn1C ZINC000652993084 565950981 /nfs/dbraw/zinc/95/09/81/565950981.db2.gz ZVNKGNNFXYYEJC-UHFFFAOYSA-N 1 0 379.302 2.894 20 0 GFADRO O=S(=O)(N[C@H]1CC[N@H+](CC2CC2)C1)c1ccc(Br)c(Cl)c1 ZINC000676887890 565953611 /nfs/dbraw/zinc/95/36/11/565953611.db2.gz AFYGGYWXMQYXML-NSHDSACASA-N 1 0 393.734 2.865 20 0 GFADRO C[C@H]1Cc2cc(S(=O)(=O)NCc3ccc(N(C)C)nc3)cc(Cl)c2O1 ZINC000605578149 565953845 /nfs/dbraw/zinc/95/38/45/565953845.db2.gz DYQXCBLDCKZSMA-NSHDSACASA-N 1 0 381.885 2.603 20 0 GFADRO O=C([C@@H]1CC[C@@H](C2CC2)[NH2+]1)N1CCO[C@@H](c2cccc(Br)c2)C1 ZINC000653080592 565954107 /nfs/dbraw/zinc/95/41/07/565954107.db2.gz LTTNABJBJCQFAA-YESZJQIVSA-N 1 0 379.298 2.880 20 0 GFADRO COc1cc(Br)c(CNC(=O)c2ccccc2CC[NH3+])cc1OC ZINC000653085699 565954395 /nfs/dbraw/zinc/95/43/95/565954395.db2.gz VJHQAPJUOSKIIP-UHFFFAOYSA-N 1 0 393.281 2.898 20 0 GFADRO C[C@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[N@@H+]1CC[C@@H](CC(N)=O)C1 ZINC000676908948 565955470 /nfs/dbraw/zinc/95/54/70/565955470.db2.gz RPDKSEVXOIYUMD-ZJUUUORDSA-N 1 0 377.794 2.883 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(C(=O)COc3cccc(Br)c3)C2)C1 ZINC000653191569 565958439 /nfs/dbraw/zinc/95/84/39/565958439.db2.gz YAXFKXDMABYQQC-LXZKKBNFSA-N 1 0 397.313 2.573 20 0 GFADRO CCc1nc(C(=O)NCCC2(C[NH3+])CC2)nn1-c1c(Cl)cccc1Cl ZINC000653219559 565959536 /nfs/dbraw/zinc/95/95/36/565959536.db2.gz IWLYLLKZYANMIQ-UHFFFAOYSA-N 1 0 382.295 2.995 20 0 GFADRO C[C@H]1CCCN(C(=O)c2cc(Br)c3c(c2)OCCO3)[C@H]1CC[NH3+] ZINC000653238500 565959680 /nfs/dbraw/zinc/95/96/80/565959680.db2.gz QTIXOTQBBCIQRB-FZMZJTMJSA-N 1 0 383.286 2.810 20 0 GFADRO CCO[C@@H]1CN(C(=O)CCSc2ccccc2Br)C[C@H]1C[NH3+] ZINC000653245693 565960451 /nfs/dbraw/zinc/96/04/51/565960451.db2.gz JBFQUJXCABFUTN-TZMCWYRMSA-N 1 0 387.343 2.754 20 0 GFADRO O=C(NCCC1CC[NH2+]CC1)c1cc(=O)[nH]c2ccc(Br)cc21 ZINC000653269853 565961033 /nfs/dbraw/zinc/96/10/33/565961033.db2.gz WCSQTJSOBSIKPF-UHFFFAOYSA-N 1 0 378.270 2.822 20 0 GFADRO COc1ccc(Br)c(C(=O)N2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)c1 ZINC000653267635 565961066 /nfs/dbraw/zinc/96/10/66/565961066.db2.gz UAIASENHZFXMGV-JCURWCKSSA-N 1 0 397.313 2.959 20 0 GFADRO CCOc1c(Br)cc(C(=O)NCCC2CC[NH2+]CC2)cc1OC ZINC000653268619 565961681 /nfs/dbraw/zinc/96/16/81/565961681.db2.gz WZCPHQGIMPJPPK-UHFFFAOYSA-N 1 0 385.302 2.976 20 0 GFADRO CC[N@@H+]1CCN(C(=O)c2ccc(-n3cc(Br)cn3)cc2)C[C@H]1C ZINC000677182428 565963018 /nfs/dbraw/zinc/96/30/18/565963018.db2.gz HNELKRXNJFIAIC-CYBMUJFWSA-N 1 0 377.286 2.801 20 0 GFADRO CC[N@@H+]1CCN(C(=O)c2cc(=O)[nH]c3c(Br)cccc23)C[C@@H]1C ZINC000677189704 565963510 /nfs/dbraw/zinc/96/35/10/565963510.db2.gz BNRGMXJETPMJRM-NSHDSACASA-N 1 0 378.270 2.869 20 0 GFADRO O=C(Nc1nc(-c2ccccc2)c(Br)s1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653346693 565964594 /nfs/dbraw/zinc/96/45/94/565964594.db2.gz DWFZRGXJSYHRNO-ZBEGNZNMSA-N 1 0 394.294 2.747 20 0 GFADRO O=C(NCc1n[nH]cc1Br)NCc1ccccc1C[NH+]1CCCC1 ZINC000606477983 565966201 /nfs/dbraw/zinc/96/62/01/565966201.db2.gz KMHUIMUEKLOGIQ-UHFFFAOYSA-N 1 0 392.301 2.767 20 0 GFADRO C[C@H](Cc1ccc(Br)c(F)c1)[NH2+]CCCN1CCCS1(=O)=O ZINC000631656609 565966347 /nfs/dbraw/zinc/96/63/47/565966347.db2.gz UQDOBCTZMNWPFF-GFCCVEGCSA-N 1 0 393.322 2.534 20 0 GFADRO O=C(NCc1n[nH]cc1Br)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000606482827 565966319 /nfs/dbraw/zinc/96/63/19/565966319.db2.gz UKQMHPBYIHZCFJ-UHFFFAOYSA-N 1 0 392.301 2.767 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1CCCNS(=O)(=O)Cc1ncsc1Br ZINC000631676933 565967332 /nfs/dbraw/zinc/96/73/32/565967332.db2.gz KGEPWEZNGZJHFL-LLVKDONJSA-N 1 0 396.376 2.590 20 0 GFADRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NCc1n[nH]cc1Br ZINC000606514087 565967697 /nfs/dbraw/zinc/96/76/97/565967697.db2.gz HNOQPABIFBWNHB-UHFFFAOYSA-N 1 0 394.317 2.966 20 0 GFADRO C[C@@H]([NH2+][C@@H]1C[C@H]1C(F)(F)F)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000631753292 565970876 /nfs/dbraw/zinc/97/08/76/565970876.db2.gz JDSUFSBUQNGQOY-GTNGPMTGSA-N 1 0 387.221 2.698 20 0 GFADRO C[C@@H](CNS(=O)(=O)Cc1ncsc1Br)[N@@H+]1CCCC[C@@H]1C ZINC000631743679 565971129 /nfs/dbraw/zinc/97/11/29/565971129.db2.gz ZHFJRMXSDWVJQN-QWRGUYRKSA-N 1 0 396.376 2.588 20 0 GFADRO CCOc1c(Cl)cc(CNS(=O)(=O)CCC[NH+]2CCCC2)cc1OC ZINC000631775295 565973767 /nfs/dbraw/zinc/97/37/67/565973767.db2.gz PWWNHIZFLRRCER-UHFFFAOYSA-N 1 0 390.933 2.653 20 0 GFADRO CCC(CC)[C@H](NS(=O)(=O)CCCN1CC[NH+](C)CC1)c1cccs1 ZINC000631781988 565974327 /nfs/dbraw/zinc/97/43/27/565974327.db2.gz YQZXMHWUADQKCC-SFHVURJKSA-N 1 0 387.615 2.782 20 0 GFADRO O=S(=O)(c1cscc1Br)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000631803895 565976217 /nfs/dbraw/zinc/97/62/17/565976217.db2.gz NWSLECMRLMTLEY-LLVKDONJSA-N 1 0 379.345 2.760 20 0 GFADRO O=C(CCN1CCC[C@@H]2C[NH2+]CC[C@@H]21)Nc1ccc(Br)cc1F ZINC000631887415 565981048 /nfs/dbraw/zinc/98/10/48/565981048.db2.gz NIVXFKIWWDCORU-WBMJQRKESA-N 1 0 384.293 2.991 20 0 GFADRO COC1CC[NH+](C(C)(C)CNS(=O)(=O)C[C@@H]2CCCC(F)(F)C2)CC1 ZINC000631923701 565983540 /nfs/dbraw/zinc/98/35/40/565983540.db2.gz WWXYPTVFASAGPZ-CQSZACIVSA-N 1 0 382.517 2.621 20 0 GFADRO O=C(Nc1cc(-c2cc(Cl)cc(Cl)c2)[nH]n1)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000677878408 565987093 /nfs/dbraw/zinc/98/70/93/565987093.db2.gz GKANCKQGKIIJFB-HNNXBMFYSA-N 1 0 380.279 2.712 20 0 GFADRO CN(C(=O)[C@]12CCC(=O)N1c1cc(Cl)ccc1S2)[C@H]1CCC[N@H+](C)C1 ZINC000607687070 565987754 /nfs/dbraw/zinc/98/77/54/565987754.db2.gz AGMVHEVJHYYJCA-SCLBCKFNSA-N 1 0 379.913 2.821 20 0 GFADRO C[C@@H]1C[C@@H]([NH3+])CN1S(=O)(=O)c1cc(C(F)(F)F)ccc1Br ZINC000631972597 565988185 /nfs/dbraw/zinc/98/81/85/565988185.db2.gz HILPRUFJIWOOKI-VXNVDRBHSA-N 1 0 387.221 2.578 20 0 GFADRO O=S(=O)(c1cc(Cl)ccc1OC(F)F)N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631993088 565990011 /nfs/dbraw/zinc/99/00/11/565990011.db2.gz KLVIPASSGIBFJJ-ZYHUDNBSSA-N 1 0 380.844 2.704 20 0 GFADRO CC(C)([NH2+]CC(=O)N1CCOC[C@@H]1C1CC1)c1ccc(Br)cc1 ZINC000678007734 565992892 /nfs/dbraw/zinc/99/28/92/565992892.db2.gz SVNGXQQWKBATET-MRXNPFEDSA-N 1 0 381.314 2.911 20 0 GFADRO C[C@H](C(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)c1ccc(Br)cc1 ZINC000678023173 565994957 /nfs/dbraw/zinc/99/49/57/565994957.db2.gz OVICZYRGMGXOEM-IAOVAPTHSA-N 1 0 381.314 2.610 20 0 GFADRO C[C@@H]1C[C@@H]1N1C[C@@H]([NH2+]Cc2cc(Br)c3c(c2)OCCCO3)CC1=O ZINC000608072837 566002059 /nfs/dbraw/zinc/00/20/59/566002059.db2.gz VTSMCOSIACYEES-ZLDLUXBVSA-N 1 0 395.297 2.709 20 0 GFADRO CN(CC[C@H]1CCCC[N@@H+]1C)c1ccc(S(N)(=O)=O)cc1C(F)(F)F ZINC000608091442 566003403 /nfs/dbraw/zinc/00/34/03/566003403.db2.gz YFWMNBBAKNWEJJ-GFCCVEGCSA-N 1 0 379.448 2.663 20 0 GFADRO COc1c(Br)c(C)sc1C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000608122336 566004282 /nfs/dbraw/zinc/00/42/82/566004282.db2.gz VIWPKHWVMBTTMS-UHFFFAOYSA-N 1 0 387.303 2.838 20 0 GFADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)COc3cc(Cl)cc(Cl)c3)CC2)C1 ZINC000608136222 566004757 /nfs/dbraw/zinc/00/47/57/566004757.db2.gz FDEQHZVVTIEOKD-INIZCTEOSA-N 1 0 386.323 2.611 20 0 GFADRO CC[N@H+](CCC1CCN(S(=O)(=O)c2c[nH]c(=O)s2)CC1)CC(C)C ZINC000632180158 566006461 /nfs/dbraw/zinc/00/64/61/566006461.db2.gz OLNCRMGZRFPRBN-UHFFFAOYSA-N 1 0 375.560 2.617 20 0 GFADRO C[N@@H+]1CCC[C@@H](CNC(=O)N2CCOc3cccc(Br)c3C2)C1 ZINC000654435649 566009577 /nfs/dbraw/zinc/00/95/77/566009577.db2.gz ZGNYOOLRJDBHIG-ZDUSSCGKSA-N 1 0 382.302 2.695 20 0 GFADRO O=C(N[C@H]1CC[N@H+](CC2CC2)C1)N1CCOc2cccc(Br)c2C1 ZINC000654451851 566009856 /nfs/dbraw/zinc/00/98/56/566009856.db2.gz JHGZEZZJDLSAER-AWEZNQCLSA-N 1 0 394.313 2.837 20 0 GFADRO Nc1nc(-n2cccn2)cc(N2CCc3sc(Br)cc3C2)[nH+]1 ZINC000678480603 566010913 /nfs/dbraw/zinc/01/09/13/566010913.db2.gz HEASBUFDGKBOEE-UHFFFAOYSA-N 1 0 377.271 2.631 20 0 GFADRO O=C(NCc1ccc(O)c(Br)c1)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000654496462 566012729 /nfs/dbraw/zinc/01/27/29/566012729.db2.gz UTYRPNDVZLXSFZ-LSDHHAIUSA-N 1 0 382.302 2.971 20 0 GFADRO CO[C@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000678632254 566015178 /nfs/dbraw/zinc/01/51/78/566015178.db2.gz LJRBQAMERJSIIG-KCXAZCMYSA-N 1 0 384.318 2.919 20 0 GFADRO COC1CC[NH+](CCNC(=O)NCc2cccc(Br)c2C)CC1 ZINC000654642479 566017511 /nfs/dbraw/zinc/01/75/11/566017511.db2.gz AXXUCCMICPRCKT-UHFFFAOYSA-N 1 0 384.318 2.668 20 0 GFADRO COc1ccc([C@H](C)[NH2+]CC[C@@H]2CCS(=O)(=O)C2)cc1Br ZINC000678732786 566018269 /nfs/dbraw/zinc/01/82/69/566018269.db2.gz CKVZGIJAXURPKY-NWDGAFQWSA-N 1 0 376.316 2.933 20 0 GFADRO CN(CCOc1ccc(Br)cc1)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000654656775 566018297 /nfs/dbraw/zinc/01/82/97/566018297.db2.gz GZYBLYAOCMZPSY-OTVXOJSOSA-N 1 0 384.318 2.810 20 0 GFADRO C[C@@H]([NH2+]C[C@H](O)COC[C@@H]1CCCO1)c1ccc(F)c(Br)c1 ZINC000678768200 566019570 /nfs/dbraw/zinc/01/95/70/566019570.db2.gz GBKMKNJGLICPEA-XBFCOCLRSA-N 1 0 376.266 2.795 20 0 GFADRO CN(Cc1cc(Br)cn1C)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000654729558 566020452 /nfs/dbraw/zinc/02/04/52/566020452.db2.gz HBSRURXSWSPHEU-JKSUJKDBSA-N 1 0 383.334 2.946 20 0 GFADRO CN(Cc1cc(Br)cn1C)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000654729557 566020937 /nfs/dbraw/zinc/02/09/37/566020937.db2.gz HBSRURXSWSPHEU-HZPDHXFCSA-N 1 0 383.334 2.946 20 0 GFADRO C[C@H](Oc1ccc(Cl)cc1Br)C(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000654834121 566024830 /nfs/dbraw/zinc/02/48/30/566024830.db2.gz UVINXDYNZOBQMQ-SDDRHHMPSA-N 1 0 387.705 2.938 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+]CCCn1cncn1 ZINC000678929913 566025905 /nfs/dbraw/zinc/02/59/05/566025905.db2.gz CNMVEFJYOYHLNU-UHFFFAOYSA-N 1 0 375.274 2.715 20 0 GFADRO CS(=O)(=O)Nc1ccc(OCC[NH2+]Cc2nc3c(s2)CCCC3)cc1 ZINC000678968082 566026608 /nfs/dbraw/zinc/02/66/08/566026608.db2.gz TYUIDNYGMKIJJP-UHFFFAOYSA-N 1 0 381.523 2.562 20 0 GFADRO O=S1(=O)CC[C@@]2(C1)C[C@@H]([NH2+]Cc1c(Cl)cccc1OC(F)F)CCO2 ZINC000678969956 566026887 /nfs/dbraw/zinc/02/68/87/566026887.db2.gz TUADMCYNQLSHQV-ZBEGNZNMSA-N 1 0 395.855 2.767 20 0 GFADRO CC(C)(CO)[NH+]1CCN(C(=O)CCOc2cccc(Cl)c2Cl)CC1 ZINC000679316575 566036719 /nfs/dbraw/zinc/03/67/19/566036719.db2.gz RHHNLLVNQLXHTQ-UHFFFAOYSA-N 1 0 375.296 2.677 20 0 GFADRO CC[NH+](CC)CC[C@H](CO)NC(=O)CCc1cc(Br)ccc1F ZINC000655048121 566037628 /nfs/dbraw/zinc/03/76/28/566037628.db2.gz REDCEQVGCGMDQQ-OAHLLOKOSA-N 1 0 389.309 2.730 20 0 GFADRO Cc1cccc(C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)c1I ZINC000609383498 566037703 /nfs/dbraw/zinc/03/77/03/566037703.db2.gz QSQLRGYKKVNWEW-ZDUSSCGKSA-N 1 0 384.261 2.814 20 0 GFADRO C[C@H](C[NH2+][C@H](c1ccc(Br)cc1)[C@H]1CCCO1)S(C)(=O)=O ZINC000679357156 566039420 /nfs/dbraw/zinc/03/94/20/566039420.db2.gz XWYWCCVIWIBCAQ-KCPJHIHWSA-N 1 0 376.316 2.692 20 0 GFADRO CC(C)(C)C[N@H+](CCO)CC(=O)Nc1ccc(I)cc1 ZINC000609483460 566040677 /nfs/dbraw/zinc/04/06/77/566040677.db2.gz HRZRMVSWDCJKMH-UHFFFAOYSA-N 1 0 390.265 2.570 20 0 GFADRO CC(C)(COc1ccc(C(F)(F)F)cn1)[NH2+]CC[C@@H]1CCS(=O)(=O)C1 ZINC000679437772 566041988 /nfs/dbraw/zinc/04/19/88/566041988.db2.gz JHAZHBWOURVIFJ-GFCCVEGCSA-N 1 0 380.432 2.672 20 0 GFADRO O=C(Nc1cnn(-c2cc[nH+]cc2)c1)C(=O)Nc1ccc(Br)cc1 ZINC000679513128 566044283 /nfs/dbraw/zinc/04/42/83/566044283.db2.gz WLFDFJQBAQNBRQ-UHFFFAOYSA-N 1 0 386.209 2.607 20 0 GFADRO C[N@@H+]1CCC[C@H](NC(=O)CCC[S@@](=O)c2ccc(Br)cc2)C1 ZINC000609548477 566044498 /nfs/dbraw/zinc/04/44/98/566044498.db2.gz CHSNNHJTVDBCLE-RCDICMHDSA-N 1 0 387.343 2.547 20 0 GFADRO CC(C)[N@H+](C)CCNC(=O)CCC[S@](=O)c1ccc(Br)cc1 ZINC000609550917 566044595 /nfs/dbraw/zinc/04/45/95/566044595.db2.gz LGAKTAWRMURYBN-QFIPXVFZSA-N 1 0 389.359 2.793 20 0 GFADRO O=C(N[C@H](C[C@H]1CCCO1)C(F)(F)F)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000655337023 566053823 /nfs/dbraw/zinc/05/38/23/566053823.db2.gz JQMZEGYXTXQBLZ-RRFJBIMHSA-N 1 0 380.476 2.820 20 0 GFADRO C[N@@H+](Cc1ccccc1)C[C@H](O)CN[C@@H](CO)c1cccc(Br)c1 ZINC000679832508 566055289 /nfs/dbraw/zinc/05/52/89/566055289.db2.gz QYKIQLSZHWTAKI-MOPGFXCFSA-N 1 0 393.325 2.565 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC000655420691 566056187 /nfs/dbraw/zinc/05/61/87/566056187.db2.gz CQVOZQIRQFYNMM-RDTXWAMCSA-N 1 0 394.313 2.544 20 0 GFADRO COCC[N@@H+]1CCC[C@@H](NC(=O)CCc2ccc(Br)cc2OC)C1 ZINC000679886814 566056668 /nfs/dbraw/zinc/05/66/68/566056668.db2.gz FIRLJXWXRBXDNU-MRXNPFEDSA-N 1 0 399.329 2.617 20 0 GFADRO CO[C@@H](C(=O)N1CCC([C@H]2CC[NH2+]C2)CC1)c1ccccc1Br ZINC000655461375 566057439 /nfs/dbraw/zinc/05/74/39/566057439.db2.gz AUEKGUCDLHLLHM-WMLDXEAASA-N 1 0 381.314 2.985 20 0 GFADRO O=C(Nc1cnn(-c2ccccc2Br)c1)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000655471288 566058770 /nfs/dbraw/zinc/05/87/70/566058770.db2.gz KLXOYBBFVBPKNI-SUMWQHHRSA-N 1 0 375.270 2.963 20 0 GFADRO Cc1c(Br)cccc1CS(=O)(=O)NC[C@H](C)[NH+]1CCCC1 ZINC000655474164 566058924 /nfs/dbraw/zinc/05/89/24/566058924.db2.gz XHGMSAINUYQDBR-LBPRGKRZSA-N 1 0 375.332 2.661 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000655514153 566062678 /nfs/dbraw/zinc/06/26/78/566062678.db2.gz AGYJFSJDTBDZOW-GFCCVEGCSA-N 1 0 391.191 2.563 20 0 GFADRO Cc1csc(-c2ccc(S(=O)(=O)N[C@H]3C[N@H+](C4CC4)C[C@H]3C)cc2)n1 ZINC000655537785 566065040 /nfs/dbraw/zinc/06/50/40/566065040.db2.gz XQGBCHGQDCWQHF-PXAZEXFGSA-N 1 0 377.535 2.880 20 0 GFADRO Cn1nc2cc(Br)ccc2c1C(=O)N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000632865884 566071960 /nfs/dbraw/zinc/07/19/60/566071960.db2.gz WYXWSSQXJBVXCD-ABAIWWIYSA-N 1 0 377.286 2.550 20 0 GFADRO O=C(c1ccc(-n2cc(Br)cn2)cc1)N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000632861986 566072385 /nfs/dbraw/zinc/07/23/85/566072385.db2.gz PZVAOUDQUMYIGM-WMLDXEAASA-N 1 0 389.297 2.849 20 0 GFADRO Cc1nccc(NC(=O)NCc2cccc3c2CC[NH2+]C3)c1Br ZINC000632937228 566075517 /nfs/dbraw/zinc/07/55/17/566075517.db2.gz AYRKEHLHJUHSEC-UHFFFAOYSA-N 1 0 375.270 2.542 20 0 GFADRO Cc1ccc(-c2csc(NC(=O)C(=O)NC3(C[NH3+])CCCCC3)n2)s1 ZINC000633049212 566081979 /nfs/dbraw/zinc/08/19/79/566081979.db2.gz XGTRJWWKQYCCHA-UHFFFAOYSA-N 1 0 378.523 2.896 20 0 GFADRO Cc1nn(-c2ccccc2Br)cc1C[NH2+]CCCn1cncn1 ZINC000655708110 566083323 /nfs/dbraw/zinc/08/33/23/566083323.db2.gz DMJYVXRUPLIVQZ-UHFFFAOYSA-N 1 0 375.274 2.715 20 0 GFADRO O[C@H]1CCC[C@H]1[NH+]1CCN(c2ncnc3cc(F)c(Br)cc32)CC1 ZINC000680829156 566083887 /nfs/dbraw/zinc/08/38/87/566083887.db2.gz ZSVIGSCXALACGO-CVEARBPZSA-N 1 0 395.276 2.567 20 0 GFADRO O[C@H](COc1ccc(Cl)c(Cl)c1)CN1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000680857719 566085639 /nfs/dbraw/zinc/08/56/39/566085639.db2.gz PLGTURKKPJJALI-GOEBONIOSA-N 1 0 389.323 2.530 20 0 GFADRO COc1ccc(Br)cc1C[C@@H](CO)C[NH2+][C@H]1CCCn2ccnc21 ZINC000655773692 566088421 /nfs/dbraw/zinc/08/84/21/566088421.db2.gz CSSDIHBVKYAXQN-CJNGLKHVSA-N 1 0 394.313 2.930 20 0 GFADRO Cc1nn(-c2ccccc2Br)cc1C[NH2+]CCN1CCCC1=O ZINC000655799535 566090382 /nfs/dbraw/zinc/09/03/82/566090382.db2.gz IAAHUFCKUUGLQF-UHFFFAOYSA-N 1 0 377.286 2.655 20 0 GFADRO C[C@@H](c1ccccc1Cl)N1CCN(C(=O)N[C@@H](C[NH3+])C(F)(F)F)CC1 ZINC000655911989 566095686 /nfs/dbraw/zinc/09/56/86/566095686.db2.gz QDPUSCKVIMZOQW-FZMZJTMJSA-N 1 0 378.826 2.618 20 0 GFADRO Cc1nc(CNC(=O)N[C@@H](C[NH3+])C(F)(F)F)oc1-c1ccc(Cl)cc1 ZINC000655923453 566096553 /nfs/dbraw/zinc/09/65/53/566096553.db2.gz YOBGEUALWNLVKH-NSHDSACASA-N 1 0 376.766 2.992 20 0 GFADRO C[C@H](NC(=O)c1c(F)cccc1I)C1CC[NH+](C)CC1 ZINC000610758623 566097316 /nfs/dbraw/zinc/09/73/16/566097316.db2.gz XPNZYLFXONVRCF-JTQLQIEISA-N 1 0 390.240 2.890 20 0 GFADRO Cc1c(Br)cccc1CS(=O)(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000655951540 566098744 /nfs/dbraw/zinc/09/87/44/566098744.db2.gz YDOXIIADZIQOQV-IAQYHMDHSA-N 1 0 375.332 2.504 20 0 GFADRO O=C(NCCCc1c(Cl)cccc1Cl)C(=O)NCCC1CC[NH2+]CC1 ZINC000656023637 566100790 /nfs/dbraw/zinc/10/07/90/566100790.db2.gz FZWYNOJCADWPSW-UHFFFAOYSA-N 1 0 386.323 2.548 20 0 GFADRO CC[C@H]([NH2+]CCCS(C)(=O)=O)c1ccc(I)cc1 ZINC000610810817 566101029 /nfs/dbraw/zinc/10/10/29/566101029.db2.gz NZDOKUNLUGNUHW-ZDUSSCGKSA-N 1 0 381.279 2.767 20 0 GFADRO CC[C@@H]1CN(C(=O)C(=O)NCCCc2c(Cl)cccc2Cl)CC[C@H]1[NH3+] ZINC000656030008 566101094 /nfs/dbraw/zinc/10/10/94/566101094.db2.gz NMZOUFKEPWMJBA-MLGOLLRUSA-N 1 0 386.323 2.628 20 0 GFADRO COc1cc(F)c(Br)cc1NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC000633442351 566103837 /nfs/dbraw/zinc/10/38/37/566103837.db2.gz IVURGZKIQXJOKR-UHFFFAOYSA-N 1 0 385.237 2.607 20 0 GFADRO CCCN(C(=O)c1ccc2cncc(Br)c2n1)[C@@H]1CC[N@H+](C)C1 ZINC000633552172 566109035 /nfs/dbraw/zinc/10/90/35/566109035.db2.gz LMKGAGFNEWARPS-CYBMUJFWSA-N 1 0 377.286 2.949 20 0 GFADRO O=C(CC1CS(=O)(=O)C1)Nc1ccc(SCC[NH+]2CCCCC2)cc1 ZINC000633552499 566109510 /nfs/dbraw/zinc/10/95/10/566109510.db2.gz NRSJHVUPNRQHFP-UHFFFAOYSA-N 1 0 382.551 2.638 20 0 GFADRO CN1CC[C@H](C(=O)N(CCC[NH+](C)C)Cc2ccc(Cl)c(Cl)c2)C1=O ZINC000681514215 566110060 /nfs/dbraw/zinc/11/00/60/566110060.db2.gz LDIASYJAJXIROJ-AWEZNQCLSA-N 1 0 386.323 2.752 20 0 GFADRO Cc1nn(-c2ccccc2Br)cc1C[N@@H+]1CC[C@](C)(C(N)=O)C1 ZINC000656257635 566118929 /nfs/dbraw/zinc/11/89/29/566118929.db2.gz JUFARHKUEPNSSB-KRWDZBQOSA-N 1 0 377.286 2.641 20 0 GFADRO COc1ccc(S(=O)(=O)N2C[C@@H]([NH+](C)C)[C@@H](SC)C2)c2ccccc12 ZINC000611184511 566119785 /nfs/dbraw/zinc/11/97/85/566119785.db2.gz PVKWPGLFFFIVNF-WBVHZDCISA-N 1 0 380.535 2.515 20 0 GFADRO O=C(NCc1c(Cl)cccc1Cl)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000656296184 566123280 /nfs/dbraw/zinc/12/32/80/566123280.db2.gz GTXKXKCIHSBUMH-JKSUJKDBSA-N 1 0 384.307 2.743 20 0 GFADRO CC[C@@H]([NH2+]C[C@H](C)S(C)(=O)=O)c1ccc(I)cc1 ZINC000611337514 566126843 /nfs/dbraw/zinc/12/68/43/566126843.db2.gz XHAWVCVEHHBWOQ-GXFFZTMASA-N 1 0 381.279 2.765 20 0 GFADRO C[C@H](NC(=O)CN1CC[N@H+](CCO)C(C)(C)C1)c1ccc(Cl)cc1Cl ZINC000682033951 566140377 /nfs/dbraw/zinc/14/03/77/566140377.db2.gz BBAISHWBLMDDBL-ZDUSSCGKSA-N 1 0 388.339 2.559 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)C(=O)N[C@@H](C)C1CC[NH+](C)CC1 ZINC000682193309 566146929 /nfs/dbraw/zinc/14/69/29/566146929.db2.gz RNLYTQDAUBPUNE-LBPRGKRZSA-N 1 0 382.302 2.543 20 0 GFADRO Cc1cc(NC(=O)C(=O)N[C@H](C)C2CC[NH+](C)CC2)ccc1Br ZINC000682194594 566147247 /nfs/dbraw/zinc/14/72/47/566147247.db2.gz GACPMSWRUOCSAN-GFCCVEGCSA-N 1 0 382.302 2.543 20 0 GFADRO CC(C)(C)C[N@H+](CCO)C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000682219477 566147700 /nfs/dbraw/zinc/14/77/00/566147700.db2.gz YZBQZNUBTWIQPD-CQSZACIVSA-N 1 0 378.282 2.668 20 0 GFADRO CN(CCCC[NH+](C)C)C(=O)C(=O)Nc1cc(Cl)ccc1Br ZINC000682279825 566148839 /nfs/dbraw/zinc/14/88/39/566148839.db2.gz ILMVRAQYTNLCNG-UHFFFAOYSA-N 1 0 390.709 2.841 20 0 GFADRO O=C(NCCCN1CC[NH2+]CC1)N1CCC[C@@H]1c1ccccc1Br ZINC000634217416 566149041 /nfs/dbraw/zinc/14/90/41/566149041.db2.gz XCBCYBDAFWKGHH-QGZVFWFLSA-N 1 0 395.345 2.591 20 0 GFADRO C[NH+]1CCN(c2ccnc(NC(=O)c3cccc(F)c3Br)c2)CC1 ZINC000634193578 566149459 /nfs/dbraw/zinc/14/94/59/566149459.db2.gz KZEZIDGQJJPIPA-UHFFFAOYSA-N 1 0 393.260 2.987 20 0 GFADRO Cc1cccc(NC(=O)C(=O)N2CCC[C@H]([NH2+]C(C)C)C2)c1Br ZINC000682355497 566151482 /nfs/dbraw/zinc/15/14/82/566151482.db2.gz MBJMIXPTBALNPX-ZDUSSCGKSA-N 1 0 382.302 2.685 20 0 GFADRO C[C@H]([NH3+])CCC(=O)NC1CCN(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000634299590 566151686 /nfs/dbraw/zinc/15/16/86/566151686.db2.gz VJKBQURIHANFKZ-LBPRGKRZSA-N 1 0 397.317 2.689 20 0 GFADRO C[C@@H]([NH3+])CCC(=O)NC1CCN(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000634299589 566151894 /nfs/dbraw/zinc/15/18/94/566151894.db2.gz VJKBQURIHANFKZ-GFCCVEGCSA-N 1 0 397.317 2.689 20 0 GFADRO C[NH+](C)Cc1ccsc1C(=O)NCc1ccnc(N2CCSCC2)c1 ZINC000634303464 566153008 /nfs/dbraw/zinc/15/30/08/566153008.db2.gz UVQILFXPQJVECU-UHFFFAOYSA-N 1 0 376.551 2.688 20 0 GFADRO COc1ccc(CCC(=O)N[C@H]2C[N@@H+](C3CC3)C[C@@H]2C)c(Br)c1 ZINC000612305421 566157934 /nfs/dbraw/zinc/15/79/34/566157934.db2.gz XEGMQSHHQCVPLC-SJCJKPOMSA-N 1 0 381.314 2.989 20 0 GFADRO COc1ccc(CCC(=O)N[C@H]2C[N@@H+](C3CC3)C[C@H]2C)c(Br)c1 ZINC000612305420 566158104 /nfs/dbraw/zinc/15/81/04/566158104.db2.gz XEGMQSHHQCVPLC-PXAZEXFGSA-N 1 0 381.314 2.989 20 0 GFADRO C[NH+]1CCC(CCO)(NC(=O)Cc2ccc(Br)c(Cl)c2)CC1 ZINC000682527515 566160503 /nfs/dbraw/zinc/16/05/03/566160503.db2.gz DJSHABZFFGYOSZ-UHFFFAOYSA-N 1 0 389.721 2.608 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@@H]1CN1C(=O)N[C@H](c2ccc(Br)cc2)C1=O ZINC000656821868 566167579 /nfs/dbraw/zinc/16/75/79/566167579.db2.gz MGCOMZMELVUJPS-ZIAGYGMSSA-N 1 0 380.286 2.915 20 0 GFADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]CCn1ccc(C(F)(F)F)n1 ZINC000634686683 566169951 /nfs/dbraw/zinc/16/99/51/566169951.db2.gz PPGJDWYXRWTFTP-SNVBAGLBSA-N 1 0 393.207 2.504 20 0 GFADRO O[C@H](C[NH2+]CCc1cc(Cl)ccc1Br)CC1(O)CCOCC1 ZINC000634710065 566170497 /nfs/dbraw/zinc/17/04/97/566170497.db2.gz RWSUKIUBNYPCRT-AWEZNQCLSA-N 1 0 392.721 2.527 20 0 GFADRO O[C@H](C[NH2+][C@@H]1CCCn2nccc21)COc1cc(F)cc(Br)c1 ZINC000634730546 566173759 /nfs/dbraw/zinc/17/37/59/566173759.db2.gz KGRYCZLSKKYSBJ-UKRRQHHQSA-N 1 0 384.249 2.649 20 0 GFADRO C[C@@H](CNS(=O)(=O)Cc1cc(F)ccc1Br)C[NH+]1CCCC1 ZINC000656881472 566174516 /nfs/dbraw/zinc/17/45/16/566174516.db2.gz UUXUMCDOXRXCTK-LBPRGKRZSA-N 1 0 393.322 2.740 20 0 GFADRO CCC1CCN(S(=O)(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)CC1 ZINC000656888546 566175684 /nfs/dbraw/zinc/17/56/84/566175684.db2.gz FIEQHUCJUDEULQ-QGZVFWFLSA-N 1 0 385.599 2.917 20 0 GFADRO Cc1ccc(C(=O)N(C)CCCN2CC[NH+](C)CC2)c(C)c1Br ZINC000682897558 566176241 /nfs/dbraw/zinc/17/62/41/566176241.db2.gz PDYUXRKTVHWIOO-UHFFFAOYSA-N 1 0 382.346 2.775 20 0 GFADRO O=C(NCC1(c2ccccc2Br)CC1)N[C@H]1CC12CC[NH2+]CC2 ZINC000612973576 566180123 /nfs/dbraw/zinc/18/01/23/566180123.db2.gz JQFFGGUBKPHEKG-HNNXBMFYSA-N 1 0 378.314 2.922 20 0 GFADRO C[NH+]1CCC(n2cc(NS(=O)(=O)CCc3ccccc3Cl)cn2)CC1 ZINC000634795094 566180164 /nfs/dbraw/zinc/18/01/64/566180164.db2.gz GWTUWMXUJBCJSY-UHFFFAOYSA-N 1 0 382.917 2.788 20 0 GFADRO O=C(NCCCc1ccc(Br)cc1F)N[C@@H]1CC12CC[NH2+]CC2 ZINC000612973821 566180379 /nfs/dbraw/zinc/18/03/79/566180379.db2.gz MMSSMFFBZIFKHP-OAHLLOKOSA-N 1 0 384.293 2.962 20 0 GFADRO COc1cc(Br)ccc1[C@@H](C)NC(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000612982934 566181433 /nfs/dbraw/zinc/18/14/33/566181433.db2.gz KQTJWMZIATXNNO-ABAIWWIYSA-N 1 0 382.302 2.960 20 0 GFADRO C[C@@H]1C[C@H](NS(=O)(=O)c2cc(Cl)cc(Br)c2)CC[N@@H+]1C ZINC000656918066 566182926 /nfs/dbraw/zinc/18/29/26/566182926.db2.gz KLKQMFGYCIKAMG-BXKDBHETSA-N 1 0 381.723 2.864 20 0 GFADRO C[C@H](C[NH2+][C@@H]1CCCS(=O)(=O)CC1)Oc1ccccc1Br ZINC000634967418 566185941 /nfs/dbraw/zinc/18/59/41/566185941.db2.gz OAMASWTWVOYLNK-CHWSQXEVSA-N 1 0 376.316 2.773 20 0 GFADRO O=C(Nc1cccc(Br)c1)C1CCN(CC23CC(C2)C[NH2+]3)CC1 ZINC000634993932 566188197 /nfs/dbraw/zinc/18/81/97/566188197.db2.gz KRMIVSAPQFAHLN-UHFFFAOYSA-N 1 0 378.314 2.852 20 0 GFADRO C[NH+](C)[C@H]1CCCN(C(=O)c2cnc3ncc(Br)cc3c2)CC1 ZINC000683261460 566191038 /nfs/dbraw/zinc/19/10/38/566191038.db2.gz UANFESXXDKXPJO-HNNXBMFYSA-N 1 0 377.286 2.949 20 0 GFADRO CCN(CC)S(=O)(=O)c1cc(NC(=O)C[C@H]2CC[N@H+](C)C2)ccc1Cl ZINC000635124206 566195315 /nfs/dbraw/zinc/19/53/15/566195315.db2.gz PTDNMVIMBOCLMI-CYBMUJFWSA-N 1 0 387.933 2.651 20 0 GFADRO C[NH+](C)[C@@H]1CCCN(S(=O)(=O)Cc2cc(F)ccc2Br)CC1 ZINC000656971441 566197574 /nfs/dbraw/zinc/19/75/74/566197574.db2.gz FUMHUTIQZPOUMA-CQSZACIVSA-N 1 0 393.322 2.834 20 0 GFADRO CC[C@@H]1Cc2c(Br)cccc2C[N@@H+]1C[C@@H](O)CO[C@@H](C)COC ZINC000683676552 566208777 /nfs/dbraw/zinc/20/87/77/566208777.db2.gz DXWLIALZHYFZOW-NUEKZKHPSA-N 1 0 386.330 2.998 20 0 GFADRO CN(CCCC[NH+](C)C)C(=O)C(=O)Nc1cc2c(cc1Br)CCC2 ZINC000683662768 566208831 /nfs/dbraw/zinc/20/88/31/566208831.db2.gz QPFHDRJYPSQGDD-UHFFFAOYSA-N 1 0 396.329 2.677 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@H](NS(=O)(=O)c2cccc(Br)c2F)C1 ZINC000657059782 566214367 /nfs/dbraw/zinc/21/43/67/566214367.db2.gz AFJWDMBQVXZUAW-JTQLQIEISA-N 1 0 379.295 2.739 20 0 GFADRO C[N@@H+]1CC[C@H](CC(=O)NCC2(c3ccc(Br)cc3)CCOCC2)C1 ZINC000635470816 566215362 /nfs/dbraw/zinc/21/53/62/566215362.db2.gz CSKDQUZBDJUVHG-OAHLLOKOSA-N 1 0 395.341 2.955 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000635473895 566215377 /nfs/dbraw/zinc/21/53/77/566215377.db2.gz IMUHXKKPTYJCOW-CYBMUJFWSA-N 1 0 382.302 2.544 20 0 GFADRO Cc1cccc(S(=O)(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)c1Br ZINC000657062094 566215473 /nfs/dbraw/zinc/21/54/73/566215473.db2.gz PNYIBFKIOLFUMF-LBPRGKRZSA-N 1 0 375.332 2.909 20 0 GFADRO C[NH+](C)C[C@@]1(O)CCCN(C(=O)c2csc(-c3ccc(Cl)cc3)n2)C1 ZINC000683909755 566218863 /nfs/dbraw/zinc/21/88/63/566218863.db2.gz CZAHWIQXIVELTH-SFHVURJKSA-N 1 0 379.913 2.992 20 0 GFADRO Cc1nc(CS(=O)(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)cs1 ZINC000684099637 566226926 /nfs/dbraw/zinc/22/69/26/566226926.db2.gz VUOCWUNPMGGJRS-AWEZNQCLSA-N 1 0 385.580 2.845 20 0 GFADRO CN(CCCC[NH+](C)C)C(=O)Nc1ccnn1-c1ccc(Br)cn1 ZINC000684131679 566228721 /nfs/dbraw/zinc/22/87/21/566228721.db2.gz RDKOZTGMBGSJMP-UHFFFAOYSA-N 1 0 395.305 2.835 20 0 GFADRO C[N@@H+]1CCC[C@H](CNC(=O)N2CCOc3c(Br)cccc3C2)C1 ZINC000684262772 566231836 /nfs/dbraw/zinc/23/18/36/566231836.db2.gz YECBJVHDLOXJGM-CYBMUJFWSA-N 1 0 382.302 2.695 20 0 GFADRO C[C@H](CNC(=O)N1CCOc2c(Br)cccc2C1)[N@H+](C)C1CC1 ZINC000684263063 566232006 /nfs/dbraw/zinc/23/20/06/566232006.db2.gz QLFJGFAQZRZAOW-GFCCVEGCSA-N 1 0 382.302 2.836 20 0 GFADRO C[C@@](O)(CO)C[NH2+]Cc1cc(Br)ccc1OCc1ccccc1 ZINC000684538492 566238028 /nfs/dbraw/zinc/23/80/28/566238028.db2.gz MQTSGSZGFJCLHF-SFHVURJKSA-N 1 0 380.282 2.861 20 0 GFADRO CN(C)c1cc(C(=O)N2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)nc2ccccc21 ZINC000333246136 570750339 /nfs/dbraw/zinc/75/03/39/570750339.db2.gz FTVXSYBNFKFQBE-IERDGZPVSA-N 1 0 382.508 2.659 20 0 GFADRO C[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000736817520 598831806 /nfs/dbraw/zinc/83/18/06/598831806.db2.gz BRCGKXZPCUYQQU-UHFFFAOYSA-N 1 0 376.464 2.603 20 0 GFADRO CCC[N@H+](CCc1cccc(F)c1)CC(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000736479027 598833372 /nfs/dbraw/zinc/83/33/72/598833372.db2.gz HNIVYKKMAFPHRK-UHFFFAOYSA-N 1 0 382.443 2.899 20 0 GFADRO Oc1ccc(C[NH2+]C2CCN(c3ccc(-c4nn[nH]n4)cc3)CC2)cc1Cl ZINC000738400127 598837672 /nfs/dbraw/zinc/83/76/72/598837672.db2.gz DBZAAOGFSLJCTF-UHFFFAOYSA-N 1 0 384.871 2.984 20 0 GFADRO Cc1cc([C@@H]2CCC[N@@H+]2Cn2c(C)nnc2-c2cccc(-c3nn[nH]n3)c2)on1 ZINC000737265703 598851821 /nfs/dbraw/zinc/85/18/21/598851821.db2.gz UMLTXPWTWVZJRJ-INIZCTEOSA-N 1 0 391.439 2.525 20 0 GFADRO C[C@H]([NH2+]C(C)(C)CNCc1cnc2ccc(-c3nn[nH]n3)cn12)c1ccccc1 ZINC000736135444 598885468 /nfs/dbraw/zinc/88/54/68/598885468.db2.gz YEZHBEFWEHWTDI-HNNXBMFYSA-N 1 0 390.495 2.733 20 0 GFADRO C[C@H](CC1CCCC1)C(=O)N(CC[NH+](C)C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000735985487 598903962 /nfs/dbraw/zinc/90/39/62/598903962.db2.gz LQOZHFQAUICMIC-MRXNPFEDSA-N 1 0 384.528 2.973 20 0 GFADRO O=C(NCC[NH+]1CCCC1)c1ccc(Oc2cccc(F)c2-c2nn[nH]n2)cc1 ZINC000738074329 598932526 /nfs/dbraw/zinc/93/25/26/598932526.db2.gz CMFBDPSLDNEKHA-UHFFFAOYSA-N 1 0 396.426 2.624 20 0 GFADRO CCO[C@@H]1C[C@H]([N@H+](C)Cn2ccc(-c3ccc(-c4nn[nH]n4)cc3)n2)C1(C)C ZINC000736608254 598954642 /nfs/dbraw/zinc/95/46/42/598954642.db2.gz BUBSHJUAKHWSRT-ZWKOTPCHSA-N 1 0 381.484 2.823 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCN(c2ccc(-c3nn[nH]n3)cc2)C1=O)c1ccc(Cl)cc1 ZINC000736129276 598958894 /nfs/dbraw/zinc/95/88/94/598958894.db2.gz COQKUQVJVGJIRE-YVEFUNNKSA-N 1 0 382.855 2.976 20 0 GFADRO C[NH+](C)Cc1cc(CNc2c3ccccc3nnc2-c2nn[nH]n2)ccc1F ZINC000736771464 598969315 /nfs/dbraw/zinc/96/93/15/598969315.db2.gz MOZLIBORNXBBJS-UHFFFAOYSA-N 1 0 378.415 2.623 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)c2ccc(-c3nn[nH]n3)nc2)cc1 ZINC000736268268 599021787 /nfs/dbraw/zinc/02/17/87/599021787.db2.gz RUYSMEWYFTZMPR-OAHLLOKOSA-N 1 0 391.479 2.566 20 0 GFADRO CC(C)[N@H+](C)CCNC(=O)c1cccc(COc2cccc(-c3nn[nH]n3)c2)c1 ZINC000735856435 599032260 /nfs/dbraw/zinc/03/22/60/599032260.db2.gz GPLXLRDTOZHWHI-UHFFFAOYSA-N 1 0 394.479 2.516 20 0 GFADRO OCCO[C@@H]1CCC[N@H+](Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)C1 ZINC000738392778 599078450 /nfs/dbraw/zinc/07/84/50/599078450.db2.gz BJHCYEDZROSJEH-GOSISDBHSA-N 1 0 379.464 2.507 20 0 GFADRO Cc1oc(NC(=O)C[N@H+]2C[C@H](c3ccccc3)C[C@H]2C)c(-c2nn[nH]n2)c1C ZINC000737553914 599081230 /nfs/dbraw/zinc/08/12/30/599081230.db2.gz XWEZTCVCBMKALL-MLGOLLRUSA-N 1 0 380.452 2.893 20 0 GFADRO Cc1cccc(C2(C[NH2+][C@H](C(N)=O)c3ccc(-c4nn[nH]n4)cc3)CCCC2)c1 ZINC000737391118 599097983 /nfs/dbraw/zinc/09/79/83/599097983.db2.gz YHZQEHOSYZMLBW-IBGZPJMESA-N 1 0 390.491 2.803 20 0 GFADRO C[C@H]1C[C@H](NC(=O)c2cccc(Oc3ccc(-c4nn[nH]n4)cc3)c2)CC[N@@H+]1C ZINC000736231699 599105874 /nfs/dbraw/zinc/10/58/74/599105874.db2.gz CDHODHKPTFRMFD-WMLDXEAASA-N 1 0 392.463 2.872 20 0 GFADRO Cc1cccc2c1ncc(-c1nn[nH]n1)c2NC[C@@H](c1cccs1)[NH+](C)C ZINC000737407464 599121550 /nfs/dbraw/zinc/12/15/50/599121550.db2.gz BOQAOUIMGYDKCP-HNNXBMFYSA-N 1 0 379.493 2.922 20 0 GFADRO C[NH+](C)CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)c1cccc2cc[nH]c21 ZINC000821586003 599146772 /nfs/dbraw/zinc/14/67/72/599146772.db2.gz FPPLJFFFZIANFX-UHFFFAOYSA-N 1 0 389.463 2.552 20 0 GFADRO C[C@@H]1CN(C(=O)c2cccc(Nc3ccc(-c4nn[nH]n4)cc3)c2)C[C@@H]1[NH+](C)C ZINC000820742702 599200835 /nfs/dbraw/zinc/20/08/35/599200835.db2.gz MCHSBOUOCHUJMI-KUHUBIRLSA-N 1 0 391.479 2.632 20 0 GFADRO C[NH+](C)CCOc1ccc(NC(=O)c2sccc2-c2nn[nH]n2)cc1Cl ZINC000736768319 599202578 /nfs/dbraw/zinc/20/25/78/599202578.db2.gz DDIRQVMXRIVSKZ-UHFFFAOYSA-N 1 0 392.872 2.774 20 0 GFADRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1sccc1-c1nn[nH]n1 ZINC000821596617 599216256 /nfs/dbraw/zinc/21/62/56/599216256.db2.gz PVIBVYXCPRKQNV-HNNXBMFYSA-N 1 0 382.493 2.522 20 0 GFADRO Cc1c(NC(=O)NC[C@@H](C)[N@H+](C)Cc2ccccc2)cccc1-c1nn[nH]n1 ZINC000822096365 607284950 /nfs/dbraw/zinc/28/49/50/607284950.db2.gz LKOFVFXOYRFUKH-CQSZACIVSA-N 1 0 379.468 2.817 20 0 GFADRO CCOc1ccc(-c2nn[nH]n2)cc1NC(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000821406559 599264571 /nfs/dbraw/zinc/26/45/71/599264571.db2.gz HXRAOKWNOVJHGM-OAHLLOKOSA-N 1 0 387.488 2.604 20 0 GFADRO O=C(CC[NH+]1CCCCC1)Nc1ccc(NCc2ccc(-c3nn[nH]n3)o2)cc1 ZINC000822965029 607315235 /nfs/dbraw/zinc/31/52/35/607315235.db2.gz XIKMYZOIRTVXJD-UHFFFAOYSA-N 1 0 395.467 2.886 20 0 GFADRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)Nc1cc(-c2nn[nH]n2)ccc1OC ZINC000736456642 599280195 /nfs/dbraw/zinc/28/01/95/599280195.db2.gz GDQYFMDQZRPBJX-OAHLLOKOSA-N 1 0 387.488 2.651 20 0 GFADRO C[C@H]1C[C@@H](N(C)C(=O)Nc2ccc(-c3nn[nH]n3)c(C(F)(F)F)c2)CC[N@@H+]1C ZINC000820659058 599288283 /nfs/dbraw/zinc/28/82/83/599288283.db2.gz VVHQYFWSRKRCCW-JQWIXIFHSA-N 1 0 397.405 2.832 20 0 GFADRO O=C([O-])c1ccc(C[NH+]2CCC(C(=O)NCCC[NH+]3CCCCC3)CC2)cc1 ZINC000821545178 598045845 /nfs/dbraw/zinc/04/58/45/598045845.db2.gz WYVCEERYGPUDGO-UHFFFAOYSA-N 1 0 387.524 2.589 20 0 GFADRO OC1CC[NH+](Cc2ccccc2CNc2ccc(F)cc2-c2nn[nH]n2)CC1 ZINC000823707258 607327862 /nfs/dbraw/zinc/32/78/62/607327862.db2.gz XYNBAGNKAOGPPN-UHFFFAOYSA-N 1 0 382.443 2.575 20 0 GFADRO Cc1ccc([C@@H](CNc2nc3c(cc2-c2nn[nH]n2)CCC3)[NH+]2CCCC2)o1 ZINC000737320004 598247213 /nfs/dbraw/zinc/24/72/13/598247213.db2.gz LCEFDFSTCIJDOI-QGZVFWFLSA-N 1 0 379.468 2.901 20 0 GFADRO C[N@H+](CCC(=O)Nc1sccc1-c1nn[nH]n1)C[C@@H]1OCCc2ccccc21 ZINC000736791697 598258190 /nfs/dbraw/zinc/25/81/90/598258190.db2.gz GPFHRPMMTORRSR-INIZCTEOSA-N 1 0 398.492 2.503 20 0 GFADRO c1ccc2c(c1)OC[C@H](C[NH+]1CCC(Oc3cccc(-c4nn[nH]n4)c3)CC1)O2 ZINC000738418414 598263147 /nfs/dbraw/zinc/26/31/47/598263147.db2.gz GVYFKSUFAULKFN-SFHVURJKSA-N 1 0 393.447 2.550 20 0 GFADRO Clc1cccc([C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)N2CCOCC2)c1 ZINC000737574438 598287708 /nfs/dbraw/zinc/28/77/08/598287708.db2.gz KDAQFCSKZBJBAU-LJQANCHMSA-N 1 0 398.898 2.683 20 0 GFADRO O=C(Nc1ccc(F)cc1)C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2F)CC1 ZINC000738166433 598300754 /nfs/dbraw/zinc/30/07/54/598300754.db2.gz UMYUKXWEPLOELX-UHFFFAOYSA-N 1 0 398.417 2.996 20 0 GFADRO Cn1cc([C@@H](c2cccc(F)c2)[N@H+](C)Cc2ccccc2-c2nn[nH]n2)cn1 ZINC000736827385 598312695 /nfs/dbraw/zinc/31/26/95/598312695.db2.gz CFSRYYLIMOEVBI-LJQANCHMSA-N 1 0 377.427 2.961 20 0 GFADRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=S)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000736266789 598322089 /nfs/dbraw/zinc/32/20/89/598322089.db2.gz PCOIJFNWHMARLC-RYUDHWBXSA-N 1 0 393.948 2.927 20 0 GFADRO Cc1cc(F)ccc1C(=O)N(CC[NH+](C)C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000822204093 607351067 /nfs/dbraw/zinc/35/10/67/607351067.db2.gz DAEGDODIPVJREW-UHFFFAOYSA-N 1 0 382.443 2.518 20 0 GFADRO C[NH+](C)CCCOc1ccc(NC(=O)NCc2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000736767308 598432879 /nfs/dbraw/zinc/43/28/79/598432879.db2.gz OLXKLGLHIBYRFR-UHFFFAOYSA-N 1 0 395.467 2.519 20 0 GFADRO CC(C)(C)c1nc(C[NH2+]C2CCN(c3ccc(-c4nn[nH]n4)cn3)CC2)cs1 ZINC000735657603 598465959 /nfs/dbraw/zinc/46/59/59/598465959.db2.gz RSQFWKHDSQFHFN-UHFFFAOYSA-N 1 0 398.540 2.774 20 0 GFADRO CC(C)Oc1ccc(C[NH2+]C2CCN(c3ccc(-c4nn[nH]n4)cn3)CC2)cc1 ZINC000735915589 598466136 /nfs/dbraw/zinc/46/61/36/598466136.db2.gz QGKZDOOAEADTPL-UHFFFAOYSA-N 1 0 393.495 2.808 20 0 GFADRO COc1cc(C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)cc(Br)c1O ZINC000737045789 598466779 /nfs/dbraw/zinc/46/67/79/598466779.db2.gz NJDLJDVTRLORRS-UHFFFAOYSA-N 1 0 390.241 2.633 20 0 GFADRO c1cnc2c(c1)cccc2C[NH2+]C1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1 ZINC000738446299 598467199 /nfs/dbraw/zinc/46/71/99/598467199.db2.gz UPBIYWYMOZOHDY-UHFFFAOYSA-N 1 0 386.463 2.569 20 0 GFADRO CC1CC[NH+](CCCNC(=O)N(Cc2ccc(-c3nn[nH]n3)cc2)C2CC2)CC1 ZINC000736276730 598478029 /nfs/dbraw/zinc/47/80/29/598478029.db2.gz OXXUKAFJDICDPV-UHFFFAOYSA-N 1 0 397.527 2.663 20 0 GFADRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N(Cc1ccc(-c2nn[nH]n2)cc1)C1CC1 ZINC000736263976 598479499 /nfs/dbraw/zinc/47/94/99/598479499.db2.gz AMXLLCOCLDINIH-CVEARBPZSA-N 1 0 397.527 2.661 20 0 GFADRO CC(C)Oc1ccc(-c2nn[nH]n2)cc1NC(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000735904744 598483336 /nfs/dbraw/zinc/48/33/36/598483336.db2.gz APZXUEBOZQTBTH-INIZCTEOSA-N 1 0 399.499 2.746 20 0 GFADRO CCSc1ccc([C@H](C)[NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)cc1 ZINC000736667518 598529267 /nfs/dbraw/zinc/52/92/67/598529267.db2.gz SFEUCIGRVLIHEL-QWHCGFSZSA-N 1 0 384.513 2.568 20 0 GFADRO CC[N@H+](C[C@@H](O)CN(C)Cc1ccccc1)[C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000736524341 598532371 /nfs/dbraw/zinc/53/23/71/598532371.db2.gz UXVNTSUJFWEPDL-UWJYYQICSA-N 1 0 394.523 2.743 20 0 GFADRO CC1(CNC(=O)N2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)CCCC1 ZINC000736216174 598541558 /nfs/dbraw/zinc/54/15/58/598541558.db2.gz GVCPJHHNRKKRLV-UHFFFAOYSA-N 1 0 397.527 2.664 20 0 GFADRO Cc1cccc(CN(CC[NH+](C)C)C(=O)C=Cc2ccccc2-c2nn[nH]n2)c1 ZINC000737394846 598670217 /nfs/dbraw/zinc/67/02/17/598670217.db2.gz YOCYTMCJJHTAOM-QXMHVHEDSA-N 1 0 390.491 2.779 20 0 GFADRO O=C(Nc1ccccc1)C1CC[NH+](Cc2ccc(F)cc2-c2nn[nH]n2)CC1 ZINC000738190152 598679406 /nfs/dbraw/zinc/67/94/06/598679406.db2.gz AGUJNJVHKOXTGB-UHFFFAOYSA-N 1 0 380.427 2.857 20 0 GFADRO C[NH+](C)C1CCN(C(=O)c2cccc(Oc3ccc(-c4nn[nH]n4)cc3)c2)CC1 ZINC000736756473 598698761 /nfs/dbraw/zinc/69/87/61/598698761.db2.gz JCFXZGNSDOUWHJ-UHFFFAOYSA-N 1 0 392.463 2.825 20 0 GFADRO CC(C)(C)OC(=O)NCC1([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)CCCC1 ZINC000735635305 598707313 /nfs/dbraw/zinc/70/73/13/598707313.db2.gz BJBQKBBOBHUTRM-UHFFFAOYSA-N 1 0 390.463 2.933 20 0 GFADRO COc1cccc([C@@H](C)[NH+]2CCN(Cc3ccc(F)cc3-c3nn[nH]n3)CC2)c1 ZINC000737120902 598768234 /nfs/dbraw/zinc/76/82/34/598768234.db2.gz JNFOVZMQUDYQEM-OAHLLOKOSA-N 1 0 396.470 2.893 20 0 GFADRO Fc1cc(F)c2ncc(-c3nn[nH]n3)c(N3CCC[C@@H]([NH+]4CCCC4)C3)c2c1 ZINC000737645478 598772299 /nfs/dbraw/zinc/77/22/99/598772299.db2.gz ZVMFCLPKQDMNBU-CYBMUJFWSA-N 1 0 385.422 2.758 20 0 GFADRO Clc1ccc(N2CC[NH+](CCOc3ccccc3)CC2)c(-c2nn[nH]n2)c1 ZINC000737574431 598791755 /nfs/dbraw/zinc/79/17/55/598791755.db2.gz FMLJOUPQPJMZAA-UHFFFAOYSA-N 1 0 384.871 2.721 20 0 GFADRO C[C@H](c1ccc(-c2nn[nH]n2)cc1)[N@H+](C)C[C@H](c1cccs1)N1CCOCC1 ZINC000736195979 599316297 /nfs/dbraw/zinc/31/62/97/599316297.db2.gz IJUHFTLGSPTYAV-CRAIPNDOSA-N 1 0 398.536 2.995 20 0 GFADRO Cc1ccc([C@H](C[NH2+][C@H](C)c2ccc(-c3nn[nH]n3)cc2)N2CCOCC2)s1 ZINC000737320833 599317596 /nfs/dbraw/zinc/31/75/96/599317596.db2.gz WGZAIEHQFBRUIO-QAPCUYQASA-N 1 0 398.536 2.961 20 0 GFADRO CCn1cc(C[NH2+]Cc2cccc(OCc3cccc(-c4nn[nH]n4)c3)c2)cn1 ZINC000736721461 599333107 /nfs/dbraw/zinc/33/31/07/599333107.db2.gz BHEKYQHDTVXSBC-UHFFFAOYSA-N 1 0 389.463 2.952 20 0 GFADRO NC(=O)[C@@H]([NH2+]C1CC(c2cccc(Cl)c2)C1)c1ccc(-c2nn[nH]n2)cc1 ZINC000822850816 599383905 /nfs/dbraw/zinc/38/39/05/599383905.db2.gz QZYFKCMYIFFHPX-PREGVCBESA-N 1 0 382.855 2.582 20 0 GFADRO C[C@@H]([NH2+][C@@H](C)C(=O)NCc1ccccc1Cl)c1cccc(-c2nn[nH]n2)c1 ZINC000820411637 599389480 /nfs/dbraw/zinc/38/94/80/599389480.db2.gz IZMZPEDSRIZMDM-OLZOCXBDSA-N 1 0 384.871 2.876 20 0 GFADRO C[C@@H]([NH2+][C@H](C)c1cccc(-c2nn[nH]n2)c1)C(=O)NCc1ccc(Cl)cc1 ZINC000820414304 599391787 /nfs/dbraw/zinc/39/17/87/599391787.db2.gz XQKUMJOIWHFVLD-CHWSQXEVSA-N 1 0 384.871 2.876 20 0 GFADRO COc1ccc(C[NH2+]CCc2ccc(OC(F)F)cc2)cc1-c1nn[nH]n1 ZINC000821813975 599396582 /nfs/dbraw/zinc/39/65/82/599396582.db2.gz QRQZCIPETMSUEY-UHFFFAOYSA-N 1 0 375.379 2.809 20 0 GFADRO Cc1nn(C)c2nc(Cl)c(C[NH2+][C@@H](C)c3cccc(-c4nn[nH]n4)c3)cc12 ZINC000822496274 599397421 /nfs/dbraw/zinc/39/74/21/599397421.db2.gz HKTNKLLFDGXACE-JTQLQIEISA-N 1 0 382.859 2.961 20 0 GFADRO COc1ccc(C[NH2+][C@@H](C)c2ccc3c(c2)OCCCO3)cc1-c1nn[nH]n1 ZINC000821804378 599404655 /nfs/dbraw/zinc/40/46/55/599404655.db2.gz MEPHTFWDSWMWFZ-ZDUSSCGKSA-N 1 0 381.436 2.887 20 0 GFADRO COc1ccc(C[NH2+]C[C@@H](O)c2cccc(C(F)(F)F)c2)cc1-c1nn[nH]n1 ZINC000821808398 599433973 /nfs/dbraw/zinc/43/39/73/599433973.db2.gz GDGLVRPYPFKAQB-OAHLLOKOSA-N 1 0 393.369 2.717 20 0 GFADRO Cc1ccc([C@H](CNC(=O)N[C@@H](C)c2cccc(-c3nn[nH]n3)c2)[NH+](C)C)cc1 ZINC000822230518 599437188 /nfs/dbraw/zinc/43/71/88/599437188.db2.gz JBRYDWRKFZVZIP-KXBFYZLASA-N 1 0 393.495 2.838 20 0 GFADRO Fc1ccc(C[NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)c(C(F)(F)F)c1 ZINC000737648224 599484959 /nfs/dbraw/zinc/48/49/59/599484959.db2.gz HKGHXSHFTFGPTK-UHFFFAOYSA-N 1 0 391.332 2.962 20 0 GFADRO Cc1c2cc(F)ccc2oc1C[NH2+]Cc1cnc2ccc(-c3nn[nH]n3)cn12 ZINC000737210751 599486835 /nfs/dbraw/zinc/48/68/35/599486835.db2.gz HNBFYHCLSZKOKN-UHFFFAOYSA-N 1 0 377.383 2.998 20 0 GFADRO FC(F)(F)c1ccc(-c2nn[nH]n2)c(N2CCC[C@H]([NH+]3CCCC3)CC2)n1 ZINC000737631637 599531594 /nfs/dbraw/zinc/53/15/94/599531594.db2.gz HCXZPPWCWSOIDW-LBPRGKRZSA-N 1 0 381.406 2.735 20 0 GFADRO C[C@H]1C[C@H](N(C)C(=O)c2ccc(-c3nn[nH]n3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000736231836 599554382 /nfs/dbraw/zinc/55/43/82/599554382.db2.gz YGBMQKNIHZUXKD-OXJNMPFZSA-N 1 0 390.491 2.992 20 0 GFADRO CC[N@@H+]1CCC[C@H](NC(=O)c2cccc(Nc3ccc(-c4nn[nH]n4)cc3)c2)C1 ZINC000736568352 599569241 /nfs/dbraw/zinc/56/92/41/599569241.db2.gz ANAZSBUAXVKPEB-IBGZPJMESA-N 1 0 391.479 2.824 20 0 GFADRO CSC[C@](C)(O)C[NH2+]Cc1cccc(OCc2ccccc2-c2nn[nH]n2)c1 ZINC000737182095 599599961 /nfs/dbraw/zinc/59/99/61/599599961.db2.gz XLONBUJRNNYSCI-HXUWFJFHSA-N 1 0 399.520 2.649 20 0 GFADRO Cc1ccc(NC(=O)Nc2cccc(-c3nn[nH]n3)c2)c(OCC[NH+](C)C)c1 ZINC000737361032 599601799 /nfs/dbraw/zinc/60/17/99/599601799.db2.gz QVMFJDYTHFNTJC-UHFFFAOYSA-N 1 0 381.440 2.760 20 0 GFADRO OC[C@H]1CCC[N@H+](Cc2cccc(OCc3cccc(-c4nn[nH]n4)c3)c2)C1 ZINC000823715639 607386378 /nfs/dbraw/zinc/38/63/78/607386378.db2.gz VZIDYTJURVVGKT-SFHVURJKSA-N 1 0 379.464 2.650 20 0 GFADRO CCOC(=O)CC[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)Cc1cccc(F)c1 ZINC000821330180 599636592 /nfs/dbraw/zinc/63/65/92/599636592.db2.gz FPPXJIZBRZMTAF-UHFFFAOYSA-N 1 0 383.427 2.961 20 0 GFADRO Cc1nc2c(s1)[C@@H]([N@H+](C)CCC(=O)Nc1cccc(-c3nn[nH]n3)c1)CCC2 ZINC000822457978 599638939 /nfs/dbraw/zinc/63/89/39/599638939.db2.gz BJGDMIJADPSKGD-INIZCTEOSA-N 1 0 397.508 2.970 20 0 GFADRO CC[C@]1(C)CCC[N@H+](CC(=O)Nc2c(-c3nn[nH]n3)cnn2-c2ccccc2)C1 ZINC000820951355 599643421 /nfs/dbraw/zinc/64/34/21/599643421.db2.gz YIXBAHCTKQORGP-HXUWFJFHSA-N 1 0 394.483 2.503 20 0 GFADRO CC[N@H+](CCC(=O)Nc1ccc(-c2nn[nH]n2)cc1)C[C@H](O)c1ccc(C)cc1 ZINC000821207655 599644969 /nfs/dbraw/zinc/64/49/69/599644969.db2.gz ROQCFAHRJCCVNF-IBGZPJMESA-N 1 0 394.479 2.559 20 0 GFADRO O=C(Nc1ccc(F)c(-c2nn[nH]n2)c1)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000823331847 599700347 /nfs/dbraw/zinc/70/03/47/599700347.db2.gz HUBSHLPZWLDJER-SFHVURJKSA-N 1 0 380.427 2.999 20 0 GFADRO CCS[C@H]1CC[C@@H]([N@H+](C)CC(=O)Nc2oc(C)c(C)c2-c2nn[nH]n2)C1 ZINC000821447713 607453842 /nfs/dbraw/zinc/45/38/42/607453842.db2.gz KEPWVUYJVVBJBI-OLZOCXBDSA-N 1 0 378.502 2.621 20 0 GFADRO Cc1oc(NC(=O)C[N@@H+](C)[C@H](C)Cc2ccc(C)cc2)c(-c2nn[nH]n2)c1C ZINC000822234745 607452266 /nfs/dbraw/zinc/45/22/66/607452266.db2.gz GGZHDYLCJDLDAS-CYBMUJFWSA-N 1 0 382.468 2.886 20 0 GFADRO COCc1cccc(CN2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)c1 ZINC000826164790 607477187 /nfs/dbraw/zinc/47/71/87/607477187.db2.gz QHVRKRZJRRDJRA-UHFFFAOYSA-N 1 0 392.507 2.721 20 0 GFADRO O=C(C[C@@H]1CCC[N@H+]1C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1)c1ccc(F)cc1 ZINC000826404993 607478371 /nfs/dbraw/zinc/47/83/71/607478371.db2.gz SBUPNTHECTXCFR-AZUAARDMSA-N 1 0 395.438 2.777 20 0 GFADRO CC[N@@H+](Cc1ccc(OC)c(-c2nn[nH]n2)c1)C[C@H]1COc2ccccc2O1 ZINC000825435458 607479439 /nfs/dbraw/zinc/47/94/39/607479439.db2.gz ZADOZBJXONZQQG-HNNXBMFYSA-N 1 0 381.436 2.537 20 0 GFADRO Cc1ccc(C(=O)C2CC[NH+](Cc3ccnc(-c4nn[nH]n4)c3)CC2)c(C)c1 ZINC000826281473 607483172 /nfs/dbraw/zinc/48/31/72/607483172.db2.gz UIJCKJSZEJNWRA-UHFFFAOYSA-N 1 0 376.464 2.973 20 0 GFADRO COc1ccc(C[N@H+](C)Cc2ccnc(-c3nn[nH]n3)c2)cc1OC(F)F ZINC000826192848 607484950 /nfs/dbraw/zinc/48/49/50/607484950.db2.gz FIEZFWVTXLMTPN-UHFFFAOYSA-N 1 0 376.367 2.504 20 0 GFADRO CC[C@@H]1Oc2cc([C@@H](C)[NH2+]Cc3ccc(-c4nn[nH]n4)cc3F)ccc2NC1=O ZINC000821000318 607485781 /nfs/dbraw/zinc/48/57/81/607485781.db2.gz CUZSIFYNZCVUBG-DIFFPNOSSA-N 1 0 396.426 2.966 20 0 GFADRO C[N@H+](Cc1ccnc(-c2nn[nH]n2)c1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000825986335 607488862 /nfs/dbraw/zinc/48/88/62/607488862.db2.gz ZDVXWFJGMAMCRA-HOTGVXAUSA-N 1 0 391.262 2.659 20 0 GFADRO C[C@H](NC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)c1ccc(-c2nn[nH]n2)cc1 ZINC000820352557 607498265 /nfs/dbraw/zinc/49/82/65/607498265.db2.gz VWTWPVPUSAUSQS-POZUXBRTSA-N 1 0 395.511 2.586 20 0 GFADRO CC[N@H+](Cc1ccc(OC)c(-c2nn[nH]n2)c1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000825435250 607501263 /nfs/dbraw/zinc/50/12/63/607501263.db2.gz RFRWYKUYEXEHGL-GOSISDBHSA-N 1 0 392.463 2.503 20 0 GFADRO COc1ccc(C[N@@H+]2CC[C@H](COCc3ccccc3)C2)cc1-c1nn[nH]n1 ZINC000826194372 607506505 /nfs/dbraw/zinc/50/65/05/607506505.db2.gz KMEAKUIDCPDALC-SFHVURJKSA-N 1 0 379.464 2.914 20 0 GFADRO Cc1c(NC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cccc1-c1nn[nH]n1 ZINC000822084518 607508016 /nfs/dbraw/zinc/50/80/16/607508016.db2.gz LQOOAKUHKKJZFZ-KDOFPFPSSA-N 1 0 381.484 2.656 20 0 GFADRO Cc1ccc(CC[N@@H+](Cc2ccnc(-c3nn[nH]n3)c2)C[C@@H]2CCCO2)cc1 ZINC000826287714 607508618 /nfs/dbraw/zinc/50/86/18/607508618.db2.gz ZVNMCMCCFOUXRH-IBGZPJMESA-N 1 0 378.480 2.794 20 0 GFADRO COc1ccc(C[N@H+](C)[C@@H](C)c2ccc([S@@](C)=O)cc2)cc1-c1nn[nH]n1 ZINC000826192200 607510506 /nfs/dbraw/zinc/51/05/06/607510506.db2.gz DFGSRBJKBGTFPL-JGTBNHKDSA-N 1 0 385.493 2.806 20 0 GFADRO O=C([O-])Nc1ccc(NC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000740711305 602600778 /nfs/dbraw/zinc/60/07/78/602600778.db2.gz YABPGARIKHLRTE-UHFFFAOYSA-N 1 0 398.467 2.505 20 0 GFADRO Cc1cc(-c2nn[nH]n2)ccc1C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000826247452 607651267 /nfs/dbraw/zinc/65/12/67/607651267.db2.gz DHNOBIDALDKHDR-MRXNPFEDSA-N 1 0 382.493 2.804 20 0 GFADRO CN1CCC([NH+]2CCC(CC[N@H+](C)C[C@@H]3CCCN(C(=O)[O-])C3)CC2)CC1 ZINC000828467580 604238433 /nfs/dbraw/zinc/23/84/33/604238433.db2.gz ZGYGHYMVUOIWBG-IBGZPJMESA-N 1 0 380.577 2.505 20 0 GFADRO COc1cc(OC)cc([C@@H](C(=O)[O-])[N@@H+]2CC[C@H](CNc3cccc(C)[nH+]3)C2)c1 ZINC000832040200 604465094 /nfs/dbraw/zinc/46/50/94/604465094.db2.gz ACSPSXPMTKNALW-QRWLVFNGSA-N 1 0 385.464 2.967 20 0 GFADRO O[C@H](C[N@@H+]1CC[C@@H](Oc2ccccc2Cl)C1)c1ccc(-c2nn[nH]n2)cc1 ZINC000826503389 607752587 /nfs/dbraw/zinc/75/25/87/607752587.db2.gz WPCSEMWDBYUXEV-NVXWUHKLSA-N 1 0 385.855 2.707 20 0 GFADRO Fc1cc(-c2nn[nH]n2)ccc1C[NH2+]Cc1ccc(COC2CCOCC2)cc1 ZINC000826371881 607752240 /nfs/dbraw/zinc/75/22/40/607752240.db2.gz XWODKHMOFJOMAC-UHFFFAOYSA-N 1 0 397.454 2.991 20 0 GFADRO c1sc(C[NH2+]Cc2ccc(COC3CCOCC3)cc2)cc1-c1nn[nH]n1 ZINC000826516693 607752509 /nfs/dbraw/zinc/75/25/09/607752509.db2.gz WQNVYYLAUSHLBB-UHFFFAOYSA-N 1 0 385.493 2.914 20 0 GFADRO C[C@H](Oc1ccc(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)cc1)C(=O)[O-] ZINC000833540454 605728527 /nfs/dbraw/zinc/72/85/27/605728527.db2.gz KEDSLAUUNWGVAT-SFHVURJKSA-N 1 0 390.524 2.863 20 0 GFADRO CC[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)C1CCOCC1 ZINC000820921078 606047556 /nfs/dbraw/zinc/04/75/56/606047556.db2.gz VLXSBXHVRZFHDQ-MEDUHNTESA-N 1 0 392.891 2.642 20 0 GFADRO C[N@H+](CCOc1ccccc1-c1nn[nH]n1)[C@@H]1CCCN(c2ccccc2)C1 ZINC000821604916 606076673 /nfs/dbraw/zinc/07/66/73/606076673.db2.gz MWULXKKQPLEBDN-GOSISDBHSA-N 1 0 378.480 2.846 20 0 GFADRO O=C(CC[NH+]1C[C@H]2CCCC[C@@H]2C1)Nc1sc2c(c1-c1nn[nH]n1)CCC2 ZINC000822964853 606116299 /nfs/dbraw/zinc/11/62/99/606116299.db2.gz RABZEFQMYKEHTO-CHWSQXEVSA-N 1 0 386.525 2.868 20 0 GFADRO COc1cc(-c2nn[nH]n2)ccc1Oc1ccc(NC(=O)[C@H](C)[NH+](C)C)cc1 ZINC000821702871 606127813 /nfs/dbraw/zinc/12/78/13/606127813.db2.gz DSQNBMVBGGDZAD-LBPRGKRZSA-N 1 0 382.424 2.556 20 0 GFADRO Cc1cc(OCc2cccc(-c3nn[nH]n3)c2)ccc1NC(=O)[C@H](C)[NH+](C)C ZINC000822212038 606155534 /nfs/dbraw/zinc/15/55/34/606155534.db2.gz ZSHXLUWGAHSBNG-AWEZNQCLSA-N 1 0 380.452 2.643 20 0 GFADRO CN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000821612105 606163364 /nfs/dbraw/zinc/16/33/64/606163364.db2.gz IYKOHZCJFQMEQC-UHFFFAOYSA-N 1 0 397.527 2.805 20 0 GFADRO C[NH+](C)CCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)N[C@@H]1CCCC1(C)C ZINC000821586317 606176539 /nfs/dbraw/zinc/17/65/39/606176539.db2.gz SIUJDFSMBHXOLJ-QGZVFWFLSA-N 1 0 385.516 2.519 20 0 GFADRO CN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000821608364 606198431 /nfs/dbraw/zinc/19/84/31/606198431.db2.gz DCQYEXFBPCKUKS-UHFFFAOYSA-N 1 0 397.527 2.805 20 0 GFADRO Cc1ccccc1[C@H]([NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1)C(C)(C)C ZINC000822350726 606205972 /nfs/dbraw/zinc/20/59/72/606205972.db2.gz GFTCELNYOHTIHA-YOEHRIQHSA-N 1 0 380.500 2.790 20 0 GFADRO COc1ccc([C@@H](C[NH2+]Cc2cc(-c3nn[nH]n3)cs2)N2CCCC2)cc1 ZINC000821777956 606208822 /nfs/dbraw/zinc/20/88/22/606208822.db2.gz PUQYZGXICGFUGN-GOSISDBHSA-N 1 0 384.509 2.864 20 0 GFADRO CC[C@@H]1Oc2cc([C@H](C)[NH2+]Cc3cc(-c4nn[nH]n4)cs3)ccc2NC1=O ZINC000821000859 606224269 /nfs/dbraw/zinc/22/42/69/606224269.db2.gz KNMPHTSHMVMTTM-BONVTDFDSA-N 1 0 384.465 2.889 20 0 GFADRO COC(=O)[C@H](c1cccc(-c2nn[nH]n2)c1)[N@@H+]1CC[C@H](c2ccccc2)[C@H]1C ZINC000821652021 606336144 /nfs/dbraw/zinc/33/61/44/606336144.db2.gz KVTGLXLQZKRYKN-CCKFTAQKSA-N 1 0 377.448 2.959 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)Nc1ccc(F)cc1-c1nn[nH]n1)c1ccc(F)cc1 ZINC000821579833 606352579 /nfs/dbraw/zinc/35/25/79/606352579.db2.gz PTLVBJYCWXCVTF-MRXNPFEDSA-N 1 0 387.394 2.569 20 0 GFADRO CC(C)C[N@@H+]1CCO[C@H](CNc2ccc(-c3nn[nH]n3)c(C(F)(F)F)c2)C1 ZINC000820092090 606441010 /nfs/dbraw/zinc/44/10/10/606441010.db2.gz HKYGZVMTIAPSNX-CYBMUJFWSA-N 1 0 384.406 2.654 20 0 GFADRO C[NH+](C)CCN(Cc1cccs1)C(=O)Nc1ccc(F)cc1-c1nn[nH]n1 ZINC000821587270 606579543 /nfs/dbraw/zinc/57/95/43/606579543.db2.gz OGNWIIJPPZATEX-UHFFFAOYSA-N 1 0 389.460 2.663 20 0 GFADRO CN(C(=O)c1ccc(-c2nn[nH]n2)s1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000821573637 606580543 /nfs/dbraw/zinc/58/05/43/606580543.db2.gz YIIQRUPFXGOMNG-HNNXBMFYSA-N 1 0 382.493 2.665 20 0 GFADRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1sccc1-c1nn[nH]n1 ZINC000820759658 606583880 /nfs/dbraw/zinc/58/38/80/606583880.db2.gz MQHKRUHTZQJZNL-CJNGLKHVSA-N 1 0 382.493 2.569 20 0 GFADRO C[C@H]([NH2+][C@H]1CCN(c2cccc(Cl)c2)C1=O)c1cccc(-c2nn[nH]n2)c1 ZINC000820418544 606624041 /nfs/dbraw/zinc/62/40/41/606624041.db2.gz BGJXDPHYJMKYIQ-SJCJKPOMSA-N 1 0 382.855 2.976 20 0 GFADRO O=C(OCc1ccnc(-c2nn[nH]n2)c1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000823436441 606652306 /nfs/dbraw/zinc/65/23/06/606652306.db2.gz VMQYHTSOFHGRIC-UHFFFAOYSA-N 1 0 378.436 2.605 20 0 GFADRO O=C(CC[N@H+]1CC[C@@H](c2ccc(F)cc2)C1)Nc1sccc1-c1nn[nH]n1 ZINC000822964657 606715321 /nfs/dbraw/zinc/71/53/21/606715321.db2.gz NFPAATZOWRGWSP-CYBMUJFWSA-N 1 0 386.456 2.885 20 0 GFADRO COc1ccc(C[NH2+][C@@H]2CCN(c3c(F)cccc3F)C2)cc1-c1nn[nH]n1 ZINC000821808933 606730244 /nfs/dbraw/zinc/73/02/44/606730244.db2.gz KUGOXDJHXKSORH-CYBMUJFWSA-N 1 0 386.406 2.522 20 0 GFADRO Fc1ccccc1[C@@H]([NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1)C1CCCC1 ZINC000822792539 606733794 /nfs/dbraw/zinc/73/37/94/606733794.db2.gz ZYHGNCZPDQXYBD-UGSOOPFHSA-N 1 0 396.474 2.765 20 0 GFADRO C[C@@H](CC[S@@](C)=O)[NH2+]Cc1cccc(OCc2ccccc2-c2nn[nH]n2)c1 ZINC000820247907 606739977 /nfs/dbraw/zinc/73/99/77/606739977.db2.gz BUGLLBOIRQNMPU-OHZJNBGDSA-N 1 0 399.520 2.692 20 0 GFADRO C[C@H](CC[S@](C)=O)[NH2+]Cc1cccc(OCc2ccccc2-c2nn[nH]n2)c1 ZINC000820247906 606740129 /nfs/dbraw/zinc/74/01/29/606740129.db2.gz BUGLLBOIRQNMPU-JMGYQRAPSA-N 1 0 399.520 2.692 20 0 GFADRO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)c1sccc1-c1nn[nH]n1 ZINC000820761752 606748483 /nfs/dbraw/zinc/74/84/83/606748483.db2.gz ZFASZJDIAAFOIE-KBPBESRZSA-N 1 0 396.520 2.815 20 0 GFADRO CC[C@H]1CCC[C@H]1NC(=O)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000820972894 606811502 /nfs/dbraw/zinc/81/15/02/606811502.db2.gz RNDNZPFHIBFDOU-PKOBYXMFSA-N 1 0 397.527 2.663 20 0 GFADRO C[C@H]([NH2+]C[C@H](O)c1ccc(-c2nn[nH]n2)cc1)c1cccc(OC(F)F)c1 ZINC000820419574 606853831 /nfs/dbraw/zinc/85/38/31/606853831.db2.gz IFBXIJJLSZCIHT-ZBEGNZNMSA-N 1 0 375.379 2.852 20 0 GFADRO COc1cccc(C[C@H]2CCC[N@@H+]2C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)c1 ZINC000821863464 606855942 /nfs/dbraw/zinc/85/59/42/606855942.db2.gz LHLJCFFZBUKLRI-QUCCMNQESA-N 1 0 379.464 2.616 20 0 GFADRO CC(C)C[C@@H]1CCCC[N@@H+]1CCS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000820063548 606859498 /nfs/dbraw/zinc/85/94/98/606859498.db2.gz VWQDMPBVHOGQPG-INIZCTEOSA-N 1 0 377.514 2.541 20 0 GFADRO COc1ccc(C2CC[NH+](C[C@H](O)c3ccc(-c4nn[nH]n4)cc3)CC2)cc1 ZINC000821787469 606861910 /nfs/dbraw/zinc/86/19/10/606861910.db2.gz ULTYVVMEZROHNP-FQEVSTJZSA-N 1 0 379.464 2.788 20 0 GFADRO c1ccc(N2CCC[N@@H+](CCCOc3cccc(-c4nn[nH]n4)c3)CC2)cc1 ZINC000823787686 606888757 /nfs/dbraw/zinc/88/87/57/606888757.db2.gz PFKDTVCBDULTPY-UHFFFAOYSA-N 1 0 378.480 2.848 20 0 GFADRO CC1CCC([NH+]2CCN(CCCOc3cccc(-c4nn[nH]n4)c3)CC2)CC1 ZINC000820690685 606898549 /nfs/dbraw/zinc/89/85/49/606898549.db2.gz QHIDURSWRVSEPY-UHFFFAOYSA-N 1 0 384.528 2.832 20 0 GFADRO c1cc(C[NH2+]C2CCN(c3ccc(-c4nn[nH]n4)cc3)CC2)cc2c1COC2 ZINC000823767536 606910158 /nfs/dbraw/zinc/91/01/58/606910158.db2.gz SVKJYPREUANRKX-UHFFFAOYSA-N 1 0 376.464 2.656 20 0 GFADRO CCO[C@H]1C[C@H]([N@H+](C)CCOc2ccc(-c3nn[nH]n3)cc2OC)C12CCC2 ZINC000821361879 606916981 /nfs/dbraw/zinc/91/69/81/606916981.db2.gz XPIYAJYOFYAERA-ROUUACIJSA-N 1 0 387.484 2.534 20 0 GFADRO Cn1c2ccccc2nc1[C@@H]1CCC[N@@H+]1C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000822596458 606928840 /nfs/dbraw/zinc/92/88/40/606928840.db2.gz KFOTWINODDQUSA-RBUKOAKNSA-N 1 0 389.463 2.624 20 0 GFADRO Cn1c2ccccc2nc1[C@H]1CCC[N@@H+]1C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000822596459 606928879 /nfs/dbraw/zinc/92/88/79/606928879.db2.gz KFOTWINODDQUSA-RTBURBONSA-N 1 0 389.463 2.624 20 0 GFADRO CCc1nc2c(s1)[C@H]([N@H+](C)C[C@H](O)c1ccc(-c3nn[nH]n3)cc1)CCC2 ZINC000821510123 606933348 /nfs/dbraw/zinc/93/33/48/606933348.db2.gz XHTGJKODDSTMSG-CVEARBPZSA-N 1 0 384.509 2.928 20 0 GFADRO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000820703536 606935913 /nfs/dbraw/zinc/93/59/13/606935913.db2.gz HDCARSFFAHLCSN-INIZCTEOSA-N 1 0 382.512 2.983 20 0 GFADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)Nc1ccc(-c2nn[nH]n2)c(C(F)(F)F)c1 ZINC000820903397 606954897 /nfs/dbraw/zinc/95/48/97/606954897.db2.gz TWKJHFMWEVJXTM-NSHDSACASA-N 1 0 397.405 2.881 20 0 GFADRO Fc1ccc(C[N@@H+]2CCC[C@H](c3nnc4n3CCCCC4)C2)cc1-c1nn[nH]n1 ZINC000822772351 606962910 /nfs/dbraw/zinc/96/29/10/606962910.db2.gz VQWOODFERKMUQR-HNNXBMFYSA-N 1 0 396.474 2.703 20 0 GFADRO C[C@@H]([NH2+][C@@H](C)c1ccc(S(C)(=O)=O)c(F)c1)c1ccc(-c2nn[nH]n2)cc1 ZINC000820413419 607014009 /nfs/dbraw/zinc/01/40/09/607014009.db2.gz PSVLUWYGHUXUPB-NEPJUHHUSA-N 1 0 389.456 2.821 20 0 GFADRO C[N@@H+]1CCC[C@@H]2CN(c3c(-c4nn[nH]n4)cnc4ccc(Cl)cc43)CC[C@H]21 ZINC000821625389 607031297 /nfs/dbraw/zinc/03/12/97/607031297.db2.gz MJKBLULVVONOTH-SJKOYZFVSA-N 1 0 383.887 2.989 20 0 GFADRO C[N@@H+]1CCC[C@H]2CN(c3c(-c4nn[nH]n4)cnc4ccc(Cl)cc43)CC[C@@H]21 ZINC000821625388 607031600 /nfs/dbraw/zinc/03/16/00/607031600.db2.gz MJKBLULVVONOTH-SJCJKPOMSA-N 1 0 383.887 2.989 20 0 GFADRO Fc1ccc(-c2nn[nH]n2)c(C[N@@H+]2CCC[C@H](c3nnc4n3CCCCC4)C2)c1 ZINC000822757632 607057173 /nfs/dbraw/zinc/05/71/73/607057173.db2.gz APKRVVWJOWQIRN-AWEZNQCLSA-N 1 0 396.474 2.703 20 0 GFADRO C[N@H+](Cc1ccc(C(=O)NC2CC2)cc1)Cc1cc(F)ccc1-c1nn[nH]n1 ZINC000821609537 607058821 /nfs/dbraw/zinc/05/88/21/607058821.db2.gz AXHPMOWNNCLUAI-UHFFFAOYSA-N 1 0 380.427 2.530 20 0 GFADRO CC[N@H+](Cc1cc(F)ccc1-c1nn[nH]n1)[C@H]1CCN(c2ccccc2)C1=O ZINC000821220651 607065558 /nfs/dbraw/zinc/06/55/58/607065558.db2.gz DBBQDJLMCGSMFR-SFHVURJKSA-N 1 0 380.427 2.633 20 0 GFADRO CN(C[C@@H]1CCC[N@@H+]1Cc1cc(F)ccc1-c1nn[nH]n1)C(=O)OC(C)(C)C ZINC000821596121 607069939 /nfs/dbraw/zinc/06/99/39/607069939.db2.gz AEGSBLHQXSENPS-HNNXBMFYSA-N 1 0 390.463 2.837 20 0 GFADRO CC(C)OC[C@@H](O)C[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)Cc1cccc(F)c1 ZINC000820142163 607097510 /nfs/dbraw/zinc/09/75/10/607097510.db2.gz IIHXKTCNWVVIKW-FQEVSTJZSA-N 1 0 399.470 2.794 20 0 GFADRO CCC1(CC)[C@H](OC)C[C@H]1[N@H+](C)CCC(=O)Nc1sccc1-c1nn[nH]n1 ZINC000820957801 607105774 /nfs/dbraw/zinc/10/57/74/607105774.db2.gz QDXSPCSPAXWJRH-ZIAGYGMSSA-N 1 0 392.529 2.782 20 0 GFADRO CCC1(CC)[C@H](OC)C[C@H]1[N@H+](C)Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)o1 ZINC000820958748 607106788 /nfs/dbraw/zinc/10/67/88/607106788.db2.gz YMOHLCYZDIEVDM-HZPDHXFCSA-N 1 0 397.483 2.942 20 0 GFADRO CC1CC[NH+](CCCNC(=O)Nc2ccc(-c3nn[nH]n3)cc2Cl)CC1 ZINC000820722256 607195644 /nfs/dbraw/zinc/19/56/44/607195644.db2.gz GNTKRXRQDYCKBU-UHFFFAOYSA-N 1 0 377.880 2.764 20 0 GFADRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)Nc1ccc(-c2nn[nH]n2)cc1Cl ZINC000820709078 607199189 /nfs/dbraw/zinc/19/91/89/607199189.db2.gz CTLRVVFUHOTDGE-VXGBXAGGSA-N 1 0 377.880 2.762 20 0 GFADRO C[C@H](CNC(=O)Nc1ccc(-c2nn[nH]n2)cc1Cl)C[NH+]1CCCCC1 ZINC000820269315 607202509 /nfs/dbraw/zinc/20/25/09/607202509.db2.gz JMBZUMUGEUMELE-GFCCVEGCSA-N 1 0 377.880 2.764 20 0 GFADRO CCc1ccc([C@@H](CNC(=O)c2ncc(-c3nn[nH]n3)cc2Cl)[NH+](C)C)cc1 ZINC000821481581 607231341 /nfs/dbraw/zinc/23/13/41/607231341.db2.gz LOXMWMMWPOCEBZ-MRXNPFEDSA-N 1 0 399.886 2.510 20 0 GFADRO C[C@H]1C[C@@H](CCNC(=O)c2ccc(-c3nn[nH]n3)s2)C[N@@H+]1Cc1ccccc1 ZINC000824886278 607795794 /nfs/dbraw/zinc/79/57/94/607795794.db2.gz WRVPFXLQLYFGII-GOEBONIOSA-N 1 0 396.520 2.959 20 0 GFADRO C[C@H]1C[C@H](CCNC(=O)c2ccc(-c3nn[nH]n3)cc2)C[N@@H+]1Cc1ccccc1 ZINC000824876168 607795803 /nfs/dbraw/zinc/79/58/03/607795803.db2.gz QVBMWBOOUWKCNH-WMZOPIPTSA-N 1 0 390.491 2.897 20 0 GFADRO CC[N@@H+]1CCN(c2c(-c3nn[nH]n3)cnc3c(F)ccc(Cl)c32)C[C@@H]1C ZINC000825465803 607821935 /nfs/dbraw/zinc/82/19/35/607821935.db2.gz QVWHZCZKVMIYFI-JTQLQIEISA-N 1 0 375.839 2.738 20 0 GFADRO c1ccc(CSCCC[NH+]2CCN(c3ccc(-c4nn[nH]n4)cn3)CC2)cc1 ZINC000826521962 608061630 /nfs/dbraw/zinc/06/16/30/608061630.db2.gz FYJBKFIGPHQPMM-UHFFFAOYSA-N 1 0 395.536 2.707 20 0 GFADRO COc1ccc(C[C@H](C)C[N@H+](C)CC(=O)Nc2cccc(-c3nn[nH]n3)c2)cc1 ZINC000826191888 608065530 /nfs/dbraw/zinc/06/55/30/608065530.db2.gz SNXFPLRUULSOGS-HNNXBMFYSA-N 1 0 394.479 2.624 20 0 GFADRO COc1ccc(C[C@H](C)C[N@H+](C)CC(=O)Nc2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000826191596 608066433 /nfs/dbraw/zinc/06/64/33/608066433.db2.gz KQXLDYVZQMYPHR-HNNXBMFYSA-N 1 0 394.479 2.624 20 0 GFADRO CN1CC[C@H]([NH2+]Cc2cc(-c3nn[nH]n3)cs2)[C@@H]1c1ccc(F)c(F)c1 ZINC000826028955 608113665 /nfs/dbraw/zinc/11/36/65/608113665.db2.gz LDBJSWDWAFNIIZ-HOTGVXAUSA-N 1 0 376.436 2.741 20 0 GFADRO Cc1ccc([C@@H]2CC[N@@H+]([C@H]3CCN(c4ccc(-c5nn[nH]n5)cc4)C3=O)C2)cc1 ZINC000826285776 608127783 /nfs/dbraw/zinc/12/77/83/608127783.db2.gz JNZBJRQLNUVTLR-QUCCMNQESA-N 1 0 388.475 2.770 20 0 GFADRO C[NH+](C)CCN(Cc1ccc(F)c(F)c1)c1snc(Cl)c1-c1nn[nH]n1 ZINC000825865559 608190640 /nfs/dbraw/zinc/19/06/40/608190640.db2.gz FVEQZNNARGMIDR-UHFFFAOYSA-N 1 0 399.858 2.823 20 0 GFADRO O=C([C@@H]1CC12CC[NH+](Cc1cc(-c3nn[nH]n3)ccc1F)CC2)N1CCCCC1 ZINC000826398201 608212454 /nfs/dbraw/zinc/21/24/54/608212454.db2.gz RSKYHEICNKRRNZ-KRWDZBQOSA-N 1 0 398.486 2.620 20 0 GFADRO O=C([C@@H]1CC12CC[NH+](Cc1cc(F)ccc1-c1nn[nH]n1)CC2)N1CCCCC1 ZINC000826398541 608212570 /nfs/dbraw/zinc/21/25/70/608212570.db2.gz ZAAKUMMIRUABRG-SFHVURJKSA-N 1 0 398.486 2.620 20 0 GFADRO COC(=O)C(C)(C)[C@@H]1CCC[N@H+](CCCOc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000826098888 608265178 /nfs/dbraw/zinc/26/51/78/608265178.db2.gz SJHXEXSIXSQIQW-MRXNPFEDSA-N 1 0 387.484 2.547 20 0 GFADRO CC[C@@H]([NH2+]CCOc1ccc(-c2nn[nH]n2)cc1)c1ccc2c(c1)OCCO2 ZINC000825141450 608281547 /nfs/dbraw/zinc/28/15/47/608281547.db2.gz OQIIXUVGUNHBOQ-QGZVFWFLSA-N 1 0 381.436 2.758 20 0 GFADRO COc1cc([C@H](C)[NH2+]CCOc2ccc(-c3nn[nH]n3)cc2)cc(OC)c1OC ZINC000826177663 608283139 /nfs/dbraw/zinc/28/31/39/608283139.db2.gz PZODOMGKRPAZEM-ZDUSSCGKSA-N 1 0 399.451 2.622 20 0 GFADRO Cc1ccc(-c2nn[nH]n2)c(NC2CC[NH+](CCOc3ccc(F)cc3)CC2)n1 ZINC000826275744 608295123 /nfs/dbraw/zinc/29/51/23/608295123.db2.gz JIUQHNQQLWQVCX-UHFFFAOYSA-N 1 0 397.458 2.665 20 0 GFADRO COc1ccc(C[NH2+]Cc2c(C(C)C)nc3sc(C)nn23)cc1-c1nn[nH]n1 ZINC000826202781 608309957 /nfs/dbraw/zinc/30/99/57/608309957.db2.gz MUZFCZXOEJTYPN-UHFFFAOYSA-N 1 0 398.496 2.701 20 0 GFADRO O=C1C[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CN1c1ccc(Cl)c(F)c1 ZINC000826478673 608310211 /nfs/dbraw/zinc/31/02/11/608310211.db2.gz HPFMNYPTVZRPBU-CYBMUJFWSA-N 1 0 386.818 2.554 20 0 GFADRO c1cc(-c2nnc(C[N@H+]3CCC[C@H](C[C@@H]4CCOC4)C3)o2)ccc1-c1nn[nH]n1 ZINC000826512811 608326966 /nfs/dbraw/zinc/32/69/66/608326966.db2.gz OPIBVOYRTVATAL-CABCVRRESA-N 1 0 395.467 2.555 20 0 GFADRO COc1cc(-c2nn[nH]n2)ccc1C[NH+]1CCC([C@H](O)c2ccccc2)CC1 ZINC000826168266 608352955 /nfs/dbraw/zinc/35/29/55/608352955.db2.gz HVWDXBGKLGWKIS-HXUWFJFHSA-N 1 0 379.464 2.821 20 0 GFADRO COc1cc(-c2nn[nH]n2)ccc1C[N@@H+]1CC[C@@H](CNc2cc(C)ccn2)C1 ZINC000826168376 608359415 /nfs/dbraw/zinc/35/94/15/608359415.db2.gz LEQRZVNIZDJYBF-HNNXBMFYSA-N 1 0 379.468 2.513 20 0 GFADRO COc1cc(-c2nn[nH]n2)ccc1C[N@H+](CCCO)[C@H]1CCc2ccccc21 ZINC000826168360 608369128 /nfs/dbraw/zinc/36/91/28/608369128.db2.gz KRKLOCTTXCSJBQ-IBGZPJMESA-N 1 0 379.464 2.747 20 0 GFADRO O[C@]1(Cc2cccc(Cl)c2)CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC000826505702 608379701 /nfs/dbraw/zinc/37/97/01/608379701.db2.gz CQRYXEILKUONGK-IBGZPJMESA-N 1 0 387.846 2.839 20 0 GFADRO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccc(-c2nn[nH]n2)cc1OC(F)F ZINC000825219453 608407724 /nfs/dbraw/zinc/40/77/24/608407724.db2.gz JPJZLLGBXKGNQY-LSDHHAIUSA-N 1 0 378.427 2.527 20 0 GFADRO C[C@H](C[NH+]1CCCCC1)NC(=O)N1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000824413699 608417519 /nfs/dbraw/zinc/41/75/19/608417519.db2.gz OLAGHXXDCOXWHO-MRXNPFEDSA-N 1 0 395.511 2.540 20 0 GFADRO C[C@@H]([NH2+]CC(=O)NCc1cccc(-c2nn[nH]n2)c1)c1ccc2ccccc2c1 ZINC000824563102 608422815 /nfs/dbraw/zinc/42/28/15/608422815.db2.gz LFDQPROFWPSCDP-OAHLLOKOSA-N 1 0 386.459 2.987 20 0 GFADRO COc1cc(-c2nn[nH]n2)ccc1OCC[NH2+][C@@H](C)c1ccc(F)c(F)c1 ZINC000826176290 608426624 /nfs/dbraw/zinc/42/66/24/608426624.db2.gz JAGKYKYOXMQABV-NSHDSACASA-N 1 0 375.379 2.883 20 0 GFADRO COc1ccc([C@H](C)[NH2+]CCC(=O)Nc2ccc(-c3nn[nH]n3)cc2)cc1F ZINC000826188368 608428613 /nfs/dbraw/zinc/42/86/13/608428613.db2.gz VDRCFYUMNGQFJL-LBPRGKRZSA-N 1 0 384.415 2.694 20 0 GFADRO C[NH+](C)C1CCN(c2ccc(NC(=O)c3ccc(-c4nn[nH]n4)s3)cc2)CC1 ZINC000825856127 608430679 /nfs/dbraw/zinc/43/06/79/608430679.db2.gz OSOSXEXHLQIQNC-UHFFFAOYSA-N 1 0 397.508 2.711 20 0 GFADRO c1ccc([C@H]2C[C@H]2C[NH2+]C2CCN(c3ccc(-c4nn[nH]n4)cn3)CC2)cc1 ZINC000826520832 608448768 /nfs/dbraw/zinc/44/87/68/608448768.db2.gz SIOWGXXBLDFFPY-PKOBYXMFSA-N 1 0 375.480 2.624 20 0 GFADRO C[NH+](C)Cc1ccc(C(=O)N2CC=C(c3ccc(-c4nn[nH]n4)cc3)CC2)cc1 ZINC000825870312 608486497 /nfs/dbraw/zinc/48/64/97/608486497.db2.gz GIVMBMFVKLLBRT-UHFFFAOYSA-N 1 0 388.475 2.858 20 0 GFADRO C[C@@H]1CN(C(C)(C)C[NH2+][C@H]2CCCc3cc(-c4nn[nH]n4)ccc32)C[C@@H](C)O1 ZINC000824978794 608498472 /nfs/dbraw/zinc/49/84/72/608498472.db2.gz XNKQKPMEKFPBSN-CLCXKQKWSA-N 1 0 384.528 2.722 20 0 GFADRO CC(C)(C)c1n[nH]cc1CN1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000824136660 608508766 /nfs/dbraw/zinc/50/87/66/608508766.db2.gz UIMZKSKJSSABJS-UHFFFAOYSA-N 1 0 394.527 2.595 20 0 GFADRO CS(=O)(=O)Cc1ccccc1C[NH2+][C@H]1CCCc2cc(-c3nn[nH]n3)ccc21 ZINC000826222576 608516462 /nfs/dbraw/zinc/51/64/62/608516462.db2.gz CKTDJBSGRNQFAT-IBGZPJMESA-N 1 0 397.504 2.579 20 0 GFADRO COc1ccc([C@H](CCO)[NH2+][C@@H]2CCCc3cc(-c4nn[nH]n4)ccc32)cc1 ZINC000826188562 608518012 /nfs/dbraw/zinc/51/80/12/608518012.db2.gz ARAOGLQOTPTTOS-VQTJNVASSA-N 1 0 379.464 2.966 20 0 GFADRO Cc1ccccc1[C@@H]([NH2+]C[C@H](O)COc1ccc(-c2nn[nH]n2)cc1)C(C)C ZINC000826306047 608519883 /nfs/dbraw/zinc/51/98/83/608519883.db2.gz OPCSNTAEIOZVNQ-PXNSSMCTSA-N 1 0 381.480 2.902 20 0 GFADRO Cc1ccc(N2CC[C@@H]([NH2+][C@@H]3CCCc4cc(-c5nn[nH]n5)ccc43)C2=O)cc1 ZINC000826289740 608521226 /nfs/dbraw/zinc/52/12/26/608521226.db2.gz LDVIOFVKBLGXHN-WOJBJXKFSA-N 1 0 388.475 2.948 20 0 GFADRO O=C(CC[NH2+][C@H](c1ccccc1)[C@@H]1CCOC1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000826407185 608526557 /nfs/dbraw/zinc/52/65/57/608526557.db2.gz DUTDRDFLTDFWOH-YLJYHZDGSA-N 1 0 392.463 2.563 20 0 GFADRO COc1ccc2c(c1)OC[C@H]([NH2+][C@H]1CCCc3cc(-c4nn[nH]n4)ccc31)C2 ZINC000826213180 608526824 /nfs/dbraw/zinc/52/68/24/608526824.db2.gz NNZUCIRCZWJWAA-APWZRJJASA-N 1 0 377.448 2.846 20 0 GFADRO CC(=O)N1CC[N@H+](Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)C(C)(C)C1 ZINC000823982189 608562550 /nfs/dbraw/zinc/56/25/50/608562550.db2.gz WKWUGQYXXKKYMO-UHFFFAOYSA-N 1 0 390.491 2.976 20 0 GFADRO COCC[N@H+](Cc1c[nH]nc1-c1ccc(C)o1)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000826159259 608567332 /nfs/dbraw/zinc/56/73/32/608567332.db2.gz ZHZHZVQGPFGECY-UHFFFAOYSA-N 1 0 393.451 2.807 20 0 GFADRO CN1C(=O)C[C@@H]([NH2+]Cc2cc(-c3nn[nH]n3)cs2)[C@H]1c1ccc(Cl)cc1 ZINC000826011008 608569034 /nfs/dbraw/zinc/56/90/34/608569034.db2.gz UDQCIVWMWBCGDI-GDBMZVCRSA-N 1 0 388.884 2.643 20 0 GFADRO CC1(C)CCc2ccccc2[C@@H]1[NH2+]C[C@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000824807177 608579653 /nfs/dbraw/zinc/57/96/53/608579653.db2.gz FXNTWMLOSRIVPL-PXNSSMCTSA-N 1 0 393.491 2.910 20 0 GFADRO COCc1ccc(C[N@@H+]2CCCN(c3ccccc3-c3nn[nH]n3)CC2)cc1 ZINC000826164703 608584647 /nfs/dbraw/zinc/58/46/47/608584647.db2.gz LOBYZQMFIZYDPY-UHFFFAOYSA-N 1 0 378.480 2.725 20 0 GFADRO O[C@@H](C[NH+]1CCC(OCc2ccc(F)cc2)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000826502608 608591441 /nfs/dbraw/zinc/59/14/41/608591441.db2.gz HBAYKSMDKHMXMK-FQEVSTJZSA-N 1 0 397.454 2.720 20 0 GFADRO COc1ccc(C[NH+]2CCC(Oc3cccc(-c4nn[nH]n4)c3)CC2)cc1O ZINC000826194087 608603222 /nfs/dbraw/zinc/60/32/22/608603222.db2.gz AEYMLQOFCSWMMI-UHFFFAOYSA-N 1 0 381.436 2.624 20 0 GFADRO c1sc(C[NH+]2CCC(c3nc(-c4ccccn4)no3)CC2)cc1-c1nn[nH]n1 ZINC000826519509 608659320 /nfs/dbraw/zinc/65/93/20/608659320.db2.gz BFTAKDRCACMJCK-UHFFFAOYSA-N 1 0 394.464 2.753 20 0 GFADRO c1nc2ccc(-c3nn[nH]n3)cn2c1C[NH+]1CCC2(CC1)OCc1ccccc12 ZINC000826523202 608737496 /nfs/dbraw/zinc/73/74/96/608737496.db2.gz FAACVMSTSJKTHB-UHFFFAOYSA-N 1 0 387.447 2.536 20 0 GFADRO CC[C@@H]1CN(C)c2ccccc2C[N@@H+]1Cc1cnc2ccc(-c3nn[nH]n3)cn12 ZINC000825210645 608834197 /nfs/dbraw/zinc/83/41/97/608834197.db2.gz ITJSSFZHYZMWCU-QGZVFWFLSA-N 1 0 388.479 2.745 20 0 GFADRO CC[C@H]1C[N@H+](Cc2cccc(OCc3cccc(-c4nn[nH]n4)c3)c2)C[C@@H]1O ZINC000825211977 608849098 /nfs/dbraw/zinc/84/90/98/608849098.db2.gz PGBUNOVVMLEJCS-PXNSSMCTSA-N 1 0 379.464 2.648 20 0 GFADRO C[C@H]([NH2+]CCCNC(=O)c1ccc(F)cc1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824594176 609151015 /nfs/dbraw/zinc/15/10/15/609151015.db2.gz XOFMILAQCKQQSG-LBPRGKRZSA-N 1 0 386.406 2.616 20 0 GFADRO Cc1ccccc1C[C@@H](C)[NH2+][C@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000826306891 609169473 /nfs/dbraw/zinc/16/94/73/609169473.db2.gz OYMDMBVEPOHODD-UZLBHIALSA-N 1 0 390.491 2.891 20 0 GFADRO C[C@H](O)[C@@H]1CC[N@H+](Cc2cccc(OCc3cccc(-c4nn[nH]n4)c3)c2)C1 ZINC000824689064 609175616 /nfs/dbraw/zinc/17/56/16/609175616.db2.gz JWXUPLFHDZFEFD-HNAYVOBHSA-N 1 0 379.464 2.648 20 0 GFADRO C[C@@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)cn1)c1cccc(-c2nn[nH]n2)c1 ZINC000824655034 609251644 /nfs/dbraw/zinc/25/16/44/609251644.db2.gz AUWYTVVIZDXCIC-RDTXWAMCSA-N 1 0 378.484 2.575 20 0 GFADRO O=C(CC[N@@H+]1CCCN(c2ccccc2-c2nn[nH]n2)CC1)c1ccccc1 ZINC000826407077 609269644 /nfs/dbraw/zinc/26/96/44/609269644.db2.gz AFMZMHJODIPADT-UHFFFAOYSA-N 1 0 376.464 2.652 20 0 GFADRO C[N@H+](CCC(=O)Nc1ccccc1-c1nn[nH]n1)Cc1cc(F)c(F)c(F)c1 ZINC000825915179 609283321 /nfs/dbraw/zinc/28/33/21/609283321.db2.gz UMYPSSPZSDNRJL-UHFFFAOYSA-N 1 0 390.369 2.745 20 0 GFADRO C[C@H]([NH2+]Cc1ccc(CN2CCCC2=O)cc1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824613884 609327433 /nfs/dbraw/zinc/32/74/33/609327433.db2.gz XMLQSPUDZNDABG-AWEZNQCLSA-N 1 0 394.454 2.979 20 0 GFADRO C[C@H]([NH2+]Cc1cccc(CN2CCOCC2)c1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824616875 609327772 /nfs/dbraw/zinc/32/77/72/609327772.db2.gz AGLMHCUIVNATDE-HNNXBMFYSA-N 1 0 396.470 2.689 20 0 GFADRO C[C@H]([NH2+][C@H]1CCN(c2ncccc2Cl)C1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824554300 609339513 /nfs/dbraw/zinc/33/95/13/609339513.db2.gz OJRHXPYQPRDDLS-AAEUAGOBSA-N 1 0 387.850 2.984 20 0 GFADRO C[C@H]([NH2+]C[C@H]1COC2(CCC(C)CC2)O1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824915748 609348057 /nfs/dbraw/zinc/34/80/57/609348057.db2.gz IAIVVLXAKYOZCG-RKKLVALLSA-N 1 0 375.448 2.978 20 0 GFADRO C[C@@H]1C[C@H](N(C)Cc2ccc(-c3nn[nH]n3)cc2Br)CC[N@@H+]1C ZINC000824883696 609363308 /nfs/dbraw/zinc/36/33/08/609363308.db2.gz IUNPDJPAVAHCGP-BXUZGUMPSA-N 1 0 379.306 2.544 20 0 GFADRO O=C(c1ccccc1Oc1ccccc1-c1nn[nH]n1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000826474229 609382225 /nfs/dbraw/zinc/38/22/25/609382225.db2.gz HBYVGTIRKHHOTR-HNNXBMFYSA-N 1 0 390.447 2.579 20 0 GFADRO Cc1cccc2c1CC[C@@H]2[NH2+][C@@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000826305434 609415168 /nfs/dbraw/zinc/41/51/68/609415168.db2.gz WNFMIORAIICAOA-VQTJNVASSA-N 1 0 388.475 2.948 20 0 GFADRO COc1ccc([C@@H](C[NH+]2CCCC2)NC(=O)c2cc(-c3nn[nH]n3)cs2)cc1 ZINC000826189173 609468438 /nfs/dbraw/zinc/46/84/38/609468438.db2.gz OWWJWHZYPVCRFD-MRXNPFEDSA-N 1 0 398.492 2.504 20 0 GFADRO CC(C)(COc1ccc(C(F)(F)F)cn1)[NH2+]Cc1ccnc(-c2nn[nH]n2)c1 ZINC000824162619 609496383 /nfs/dbraw/zinc/49/63/83/609496383.db2.gz JUFXLSALFXADSS-UHFFFAOYSA-N 1 0 393.373 2.623 20 0 GFADRO Fc1cccc(CC[N@@H+]2CCCN(c3ccccc3-c3nn[nH]n3)CC2)c1F ZINC000826376468 609515211 /nfs/dbraw/zinc/51/52/11/609515211.db2.gz FMFPOMLUOGTNHG-UHFFFAOYSA-N 1 0 384.434 2.900 20 0 GFADRO Cc1c(Cl)cnc(NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1-c1nn[nH]n1 ZINC000826239492 609526297 /nfs/dbraw/zinc/52/62/97/609526297.db2.gz JDGBMHZLRQYNFF-PHIMTYICSA-N 1 0 379.896 2.523 20 0 GFADRO CC[C@H]1C[C@H](C[NH2+]C2CCC(Oc3ccc(-c4nn[nH]n4)cn3)CC2)CCO1 ZINC000825181080 609595652 /nfs/dbraw/zinc/59/56/52/609595652.db2.gz BZJCTVYQJCMSBW-YKWDICOMSA-N 1 0 386.500 2.747 20 0 GFADRO O=C(Nc1ccn(-c2cc[nH+]cc2)n1)c1cncc(I)c1 ZINC000534515946 650223420 /nfs/dbraw/zinc/22/34/20/650223420.db2.gz QMMIXSPYGFKVJT-UHFFFAOYSA-N 1 0 391.172 2.519 20 0 GFADRO O=C(Nc1cc2ccc(Br)cn2n1)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000482170477 650661540 /nfs/dbraw/zinc/66/15/40/650661540.db2.gz QUIOFFBSFWSHQD-UONOGXRCSA-N 1 0 378.274 2.845 20 0 GFADRO Cc1cc(NC(=O)CC[N@H+](CCO)Cc2cc(Br)cs2)no1 ZINC000494224654 650802690 /nfs/dbraw/zinc/80/26/90/650802690.db2.gz UYWNTNFFQZRJAZ-UHFFFAOYSA-N 1 0 388.287 2.630 20 0 GFADRO CCS(=O)(=O)c1ccc2oc(=S)n(CN(C)C[C@@H]3CCC[N@@H+]3C)c2c1 ZINC000817374280 660192265 /nfs/dbraw/zinc/19/22/65/660192265.db2.gz RDIRAMVKNNBOQS-ZDUSSCGKSA-N 1 0 383.539 2.741 20 0 GFADRO C[NH+](C)CC[C@H](NC(=O)c1cccc(S(=O)(=O)C(F)F)c1)C(C)(C)C ZINC000817433719 660195387 /nfs/dbraw/zinc/19/53/87/660195387.db2.gz VAJCOMBFPMZNBP-AWEZNQCLSA-N 1 0 376.469 2.779 20 0 GFADRO CC(=O)N/C(=C/c1cccs1)C(=O)N(CC[NH+](C)C)Cc1ccsc1 ZINC000817616101 660202836 /nfs/dbraw/zinc/20/28/36/660202836.db2.gz OMXJJBXTPNCITO-GZTJUZNOSA-N 1 0 377.535 2.877 20 0 GFADRO COc1ccc(Br)c(CONC(=[NH2+])[C@H]2CN(C(C)C)CCO2)c1 ZINC000818083381 660215823 /nfs/dbraw/zinc/21/58/23/660215823.db2.gz YALZHHPIAGBSON-OAHLLOKOSA-N 1 0 386.290 2.565 20 0 GFADRO CC[NH2+]CC(=O)Nc1ccc(-c2sc(CC(N)=O)cc2Br)cc1 ZINC000818513894 660227443 /nfs/dbraw/zinc/22/74/43/660227443.db2.gz XGRNSTATAZQOGO-UHFFFAOYSA-N 1 0 396.310 2.753 20 0 GFADRO CN(Cc1ccccc1)C(=O)C[NH2+]C[C@H](O)c1ccc(Br)cc1 ZINC000818966919 660239002 /nfs/dbraw/zinc/23/90/02/660239002.db2.gz VPGUGQQTQVBJCR-KRWDZBQOSA-N 1 0 377.282 2.731 20 0 GFADRO CC(C)NS(=O)(=O)c1cccc(C[NH2+]C[C@@H](O)c2cccc(Cl)c2)c1 ZINC000818947306 660236597 /nfs/dbraw/zinc/23/65/97/660236597.db2.gz BJGMLTZGIDAYBR-GOSISDBHSA-N 1 0 382.913 2.850 20 0 GFADRO CC[C@@H]1C[N@H+](C)CCN1C(=O)/C=C\c1cc(Br)c(O)c(OC)c1 ZINC000818972158 660239253 /nfs/dbraw/zinc/23/92/53/660239253.db2.gz STZLOAPFACCIGM-CFHLNLSMSA-N 1 0 383.286 2.729 20 0 GFADRO O=S(=O)(CC[NH2+]C[C@H](O)c1ccc(F)c(F)c1)c1ccc(Cl)cc1 ZINC000818973939 660239785 /nfs/dbraw/zinc/23/97/85/660239785.db2.gz ZJRQEAQAWWHBBU-INIZCTEOSA-N 1 0 375.824 2.715 20 0 GFADRO CC(C)(C)OC(=O)NC[C@](C)(O)C[NH2+]Cc1ccc(Br)c(F)c1 ZINC000818984639 660241539 /nfs/dbraw/zinc/24/15/39/660241539.db2.gz JUDHLSGYHNSDIT-MRXNPFEDSA-N 1 0 391.281 2.954 20 0 GFADRO CS(=O)(=O)c1ccc([C@@H](O)C[NH2+]CCc2ccccc2Br)cc1 ZINC000818987411 660241540 /nfs/dbraw/zinc/24/15/40/660241540.db2.gz XMOFICNJDUDLQX-KRWDZBQOSA-N 1 0 398.322 2.718 20 0 GFADRO COc1cc(C[NH2+]C[C@H](O)c2ccc(F)cn2)cc(Br)c1OC ZINC000818990714 660242225 /nfs/dbraw/zinc/24/22/25/660242225.db2.gz MSJLCLSKOGEWGD-AWEZNQCLSA-N 1 0 385.233 2.824 20 0 GFADRO CCN(CC)S(=O)(=O)c1ccc(CC[NH2+]C[C@H](O)c2ccccc2)s1 ZINC000819017641 660243515 /nfs/dbraw/zinc/24/35/15/660243515.db2.gz JDRHTDQNHSPJCU-KRWDZBQOSA-N 1 0 382.551 2.644 20 0 GFADRO O[C@H](C[NH2+]C1CCN(C[C@H]2CCCO2)CC1)c1ccccc1Br ZINC000819063008 660244938 /nfs/dbraw/zinc/24/49/38/660244938.db2.gz VMXXXJUQZOQAEV-CRAIPNDOSA-N 1 0 383.330 2.716 20 0 GFADRO O=C(CC[NH2+]C[C@H](O)c1ccc(F)cn1)Nc1ccc(Br)cc1 ZINC000818967861 660239498 /nfs/dbraw/zinc/23/94/98/660239498.db2.gz DEOXPMWAWDBETG-HNNXBMFYSA-N 1 0 382.233 2.635 20 0 GFADRO CO[C@H](C[NH2+]C[C@H](O)c1ccc(S(C)(=O)=O)cc1)c1cccc(Cl)c1 ZINC000819121622 660247205 /nfs/dbraw/zinc/24/72/05/660247205.db2.gz HNWWAQRAVOSAOR-ZWKOTPCHSA-N 1 0 383.897 2.754 20 0 GFADRO C[C@@H](C[NH2+]C[C@H](O)c1ccc(S(C)(=O)=O)cc1)Oc1ccc(Cl)cc1 ZINC000819122367 660247214 /nfs/dbraw/zinc/24/72/14/660247214.db2.gz OPFRZLGSAWAGBD-UGSOOPFHSA-N 1 0 383.897 2.834 20 0 GFADRO O=C1[C@@H]([NH2+]C[C@H](O)c2cccc(Br)c2)CCCN1CC(F)(F)F ZINC000819181940 660249099 /nfs/dbraw/zinc/24/90/99/660249099.db2.gz DVFIEQCJEWFJLX-STQMWFEESA-N 1 0 395.219 2.625 20 0 GFADRO Cc1cc(N2CCC[C@H]([NH2+]C[C@H](O)c3cccc(Br)c3)C2)n(C)n1 ZINC000819266075 660252699 /nfs/dbraw/zinc/25/26/99/660252699.db2.gz LPCFFHFXJLRMGU-IRXDYDNUSA-N 1 0 393.329 2.783 20 0 GFADRO Cc1cc(N2CCC[C@@H]([NH2+]C[C@@H](O)c3ccc(Br)cc3)C2)n(C)n1 ZINC000819267201 660253004 /nfs/dbraw/zinc/25/30/04/660253004.db2.gz RWALHONCKKKZMP-IAGOWNOFSA-N 1 0 393.329 2.783 20 0 GFADRO COC(=O)N1CCC(C[NH2+]C[C@@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000819308216 660254492 /nfs/dbraw/zinc/25/44/92/660254492.db2.gz ONLQPMYPWPEQPQ-CQSZACIVSA-N 1 0 391.295 2.801 20 0 GFADRO CC(C)(C)OC(=O)NC[C@](C)(O)C[NH2+]CCc1cccc(Br)c1 ZINC000819358975 660256675 /nfs/dbraw/zinc/25/66/75/660256675.db2.gz BEBORLFEXXNGSF-QGZVFWFLSA-N 1 0 387.318 2.857 20 0 GFADRO C[C@@](O)(C[NH2+]CCN1CCCOCC1)c1ccc(Br)cc1Cl ZINC000819250825 660251842 /nfs/dbraw/zinc/25/18/42/660251842.db2.gz HYZQENZUBKHQOA-MRXNPFEDSA-N 1 0 391.737 2.622 20 0 GFADRO Cc1nc(C(=O)NOC2CC[NH+](C)CC2)nn1-c1c(Cl)cccc1Cl ZINC000819692139 660267409 /nfs/dbraw/zinc/26/74/09/660267409.db2.gz HOASSHLBUPVIDD-UHFFFAOYSA-N 1 0 384.267 2.638 20 0 GFADRO Cn1nc(Br)cc1NC(=O)CCc1ccc(OCC[NH+](C)C)cc1 ZINC000820181698 660283989 /nfs/dbraw/zinc/28/39/89/660283989.db2.gz WAYCBQKWHJNHNM-UHFFFAOYSA-N 1 0 395.301 2.694 20 0 GFADRO C[N@@H+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)C[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000820459222 660294319 /nfs/dbraw/zinc/29/43/19/660294319.db2.gz MOWASXFFDGNXGX-IXDOHACOSA-N 1 0 387.307 2.739 20 0 GFADRO CCn1ncc(C(=O)NCC[N@H+](C)Cc2ccc(F)cc2)c1Br ZINC000820608086 660298972 /nfs/dbraw/zinc/29/89/72/660298972.db2.gz BCGIXNBOJAXAQG-UHFFFAOYSA-N 1 0 383.265 2.666 20 0 GFADRO O=C(c1csc(Br)n1)N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000820856651 660308662 /nfs/dbraw/zinc/30/86/62/660308662.db2.gz ZTZMVSKIEBVYAE-GFCCVEGCSA-N 1 0 388.331 2.623 20 0 GFADRO C[C@H]1CN(C(=O)c2cnn3cccc(Br)c23)CC[N@@H+](C2CC2)C1 ZINC000820874966 660309025 /nfs/dbraw/zinc/30/90/25/660309025.db2.gz VHYGMZASNUIYDE-GFCCVEGCSA-N 1 0 377.286 2.653 20 0 GFADRO C[C@H]1CN(C(=O)c2ccc3c(Br)cnn3c2)CC[N@@H+](C2CC2)C1 ZINC000820873537 660309096 /nfs/dbraw/zinc/30/90/96/660309096.db2.gz DQAWHNNPNOQYOQ-GFCCVEGCSA-N 1 0 377.286 2.653 20 0 GFADRO CC(C)c1ncc(Br)c(C(=O)N2CCC[C@@]3(CC[N@H+](C)C3)C2)n1 ZINC000821026617 660313576 /nfs/dbraw/zinc/31/35/76/660313576.db2.gz YAVMNPOFPVOIJG-KRWDZBQOSA-N 1 0 381.318 2.920 20 0 GFADRO CC1(C)C(=O)N[C@H]1C1CC[NH+](C[C@@H](O)c2cccc(Br)c2)CC1 ZINC000821337366 660322068 /nfs/dbraw/zinc/32/20/68/660322068.db2.gz UNIMKFQWRDZCFM-CVEARBPZSA-N 1 0 381.314 2.719 20 0 GFADRO C[N@@H+]1CC[C@H](NC(=O)c2cc(N)nc(Br)c2)[C@@H]1c1ccccc1 ZINC000821365655 660323203 /nfs/dbraw/zinc/32/32/03/660323203.db2.gz NHXYZKUOYHPNKK-BBRMVZONSA-N 1 0 375.270 2.602 20 0 GFADRO Brc1ncn(CC[NH2+][C@@H](c2ccc3c(c2)OCCO3)C2CC2)n1 ZINC000821402044 660324684 /nfs/dbraw/zinc/32/46/84/660324684.db2.gz LKZLNZJLABHPSI-OAHLLOKOSA-N 1 0 379.258 2.553 20 0 GFADRO Cc1cc(Br)ncc1NC(=O)N[C@@H](C)CN(C)CCC[NH+](C)C ZINC000821817624 660334647 /nfs/dbraw/zinc/33/46/47/660334647.db2.gz RFELFEHCRCHOHX-ZDUSSCGKSA-N 1 0 386.338 2.546 20 0 GFADRO O=C(NC1CC[NH+](C2CCC2)CC1)c1ccc2c(Br)cnn2c1 ZINC000821891630 660336491 /nfs/dbraw/zinc/33/64/91/660336491.db2.gz JKJRQSACEGODLT-UHFFFAOYSA-N 1 0 377.286 2.844 20 0 GFADRO C[C@@]1(CC(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)CC1(Cl)Cl ZINC000822237813 660341958 /nfs/dbraw/zinc/34/19/58/660341958.db2.gz JVTNEHQCFSHFKK-GOSISDBHSA-N 1 0 384.351 2.894 20 0 GFADRO CC1CC[NH+](CCNC(=O)[C@@]2(C)CC2(Br)Br)CC1 ZINC000822058653 660339644 /nfs/dbraw/zinc/33/96/44/660339644.db2.gz HQOIHAQRGLNXFH-GFCCVEGCSA-N 1 0 382.140 2.731 20 0 GFADRO C[C@H]1CCCC[N@@H+]1CCNC(=O)[C@]1(C)CC1(Br)Br ZINC000822100282 660340393 /nfs/dbraw/zinc/34/03/93/660340393.db2.gz CFXYCUCTTBPQEA-JQWIXIFHSA-N 1 0 382.140 2.873 20 0 GFADRO C[C@H]1[NH2+]CC[C@H]1c1nc(Cc2nc3ccc(Br)cc3c(=O)[nH]2)no1 ZINC000822918477 660358055 /nfs/dbraw/zinc/35/80/55/660358055.db2.gz BCOISMWZVNEAKC-PSASIEDQSA-N 1 0 390.241 2.537 20 0 GFADRO [NH3+]CCCCn1cc(-c2nc(Cc3cc(Br)ccc3F)no2)nn1 ZINC000822920261 660358075 /nfs/dbraw/zinc/35/80/75/660358075.db2.gz RNYXRQZLOOSQOI-UHFFFAOYSA-N 1 0 395.236 2.559 20 0 GFADRO Cc1cc(-c2noc(-c3cn(CCC[NH3+])nn3)n2)cc(C)c1Br ZINC000823082560 660361379 /nfs/dbraw/zinc/36/13/79/660361379.db2.gz KQDXWPLGQYJCPJ-UHFFFAOYSA-N 1 0 377.246 2.723 20 0 GFADRO C[NH+](C)C1CCC(NC(=O)C[C@H]2C(=O)Nc3c2cccc3Br)CC1 ZINC000823119484 660362407 /nfs/dbraw/zinc/36/24/07/660362407.db2.gz UZKFCCOSRXOPDK-ORHYLEIMSA-N 1 0 394.313 2.864 20 0 GFADRO COCC1(c2nc(Cc3cc(F)cc(Br)c3)no2)CC[NH2+]CC1 ZINC000823189863 660364442 /nfs/dbraw/zinc/36/44/42/660364442.db2.gz TYYDSZSMOOMFMD-UHFFFAOYSA-N 1 0 384.249 2.830 20 0 GFADRO Brc1ccc(C2(c3noc([C@H]4C[NH2+]CCO4)n3)CCOCC2)cc1 ZINC000823199606 660364756 /nfs/dbraw/zinc/36/47/56/660364756.db2.gz AAERGFAIDSRIBW-CQSZACIVSA-N 1 0 394.269 2.590 20 0 GFADRO Fc1ccc(Br)cc1-c1noc(-c2cn([C@H]3CCC[NH2+]C3)nn2)n1 ZINC000823248943 660366258 /nfs/dbraw/zinc/36/62/58/660366258.db2.gz ZBLYHWAELVAACY-JTQLQIEISA-N 1 0 393.220 2.821 20 0 GFADRO Cn1nc(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc1Br ZINC000823554094 660374750 /nfs/dbraw/zinc/37/47/50/660374750.db2.gz HOLZEOUEXZEOEL-UHFFFAOYSA-N 1 0 377.286 2.577 20 0 GFADRO CS(=O)(=O)c1cccc(C[NH2+]C[C@@H](O)c2cccc(Br)c2)c1 ZINC000823990077 660383720 /nfs/dbraw/zinc/38/37/20/660383720.db2.gz IBHDFDFQJCMLHZ-MRXNPFEDSA-N 1 0 384.295 2.676 20 0 GFADRO Cc1ccc(Br)c2[nH]c(C(=O)N(CCO)C3CC[NH+](C)CC3)cc21 ZINC000824157298 660386438 /nfs/dbraw/zinc/38/64/38/660386438.db2.gz FYAJIGUPYBOOAU-UHFFFAOYSA-N 1 0 394.313 2.768 20 0 GFADRO C[C@H]1C[C@@H](C[NH2+]CCCCCS(C)(=O)=O)CCN1C(=O)OC(C)(C)C ZINC000824203811 660387045 /nfs/dbraw/zinc/38/70/45/660387045.db2.gz YNQPEMDEQUGQLR-HOTGVXAUSA-N 1 0 376.563 2.827 20 0 GFADRO CC(C)(C)OC(=O)N1C[C@@H]2C[C@]2(C[NH2+]CCCn2cc(Br)cn2)C1 ZINC000824402747 660391322 /nfs/dbraw/zinc/39/13/22/660391322.db2.gz NPEXYMWBMKCLPC-GUYCJALGSA-N 1 0 399.333 2.882 20 0 GFADRO Cc1c(F)c(Br)ccc1NC(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000824555120 660396606 /nfs/dbraw/zinc/39/66/06/660396606.db2.gz BSFWUMVHUQNFSW-VXGBXAGGSA-N 1 0 386.265 2.881 20 0 GFADRO C[N@@H+](Cc1cc(Br)cs1)C[C@H](O)CNC(=O)OC(C)(C)C ZINC000824565397 660397224 /nfs/dbraw/zinc/39/72/24/660397224.db2.gz TVUKBMSBHXKRRG-LLVKDONJSA-N 1 0 379.320 2.828 20 0 GFADRO CC[N@@H+]1CCC[C@H](CNC(=O)c2ccc(C(F)(F)Br)nc2)C1 ZINC000824640050 660398531 /nfs/dbraw/zinc/39/85/31/660398531.db2.gz YMWNFWLJIBEKIK-LLVKDONJSA-N 1 0 376.245 2.988 20 0 GFADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)C(F)(F)c1ccc(Br)cc1 ZINC000824733297 660400203 /nfs/dbraw/zinc/40/02/03/660400203.db2.gz OXFMUWBFIGHJIU-KGLIPLIRSA-N 1 0 389.240 2.520 20 0 GFADRO C[NH+](C)CCn1ccc(NC(=O)C(F)(F)c2ccc(Br)cc2)n1 ZINC000824775705 660401615 /nfs/dbraw/zinc/40/16/15/660401615.db2.gz AETDXCBQPNQEQV-UHFFFAOYSA-N 1 0 387.228 2.938 20 0 GFADRO CC(C)(C)OC(=O)N1CCCO[C@H](C[NH2+][C@@H]2CC[C@H]3SCCS[C@@H]23)C1 ZINC000825168642 660412821 /nfs/dbraw/zinc/41/28/21/660412821.db2.gz MUOIKGIOGGUEMX-FPCVCCKLSA-N 1 0 388.599 2.982 20 0 GFADRO Cn1c(C(=O)NC[C@H]2C[NH2+]CCCO2)ccc1-c1ccccc1Br ZINC000825189114 660414171 /nfs/dbraw/zinc/41/41/71/660414171.db2.gz XLXMBRLDHXIGKC-CYBMUJFWSA-N 1 0 392.297 2.563 20 0 GFADRO CC(C)(Sc1ccc(Br)cc1)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000825188354 660414273 /nfs/dbraw/zinc/41/42/73/660414273.db2.gz JNDMDYHKXDKLQJ-ZDUSSCGKSA-N 1 0 387.343 2.815 20 0 GFADRO Cn1nc(Br)cc1C[NH2+]C[C@H](O)c1ccccc1Br ZINC000825343004 660421918 /nfs/dbraw/zinc/42/19/18/660421918.db2.gz HHZVNHGVXPFYSV-LBPRGKRZSA-N 1 0 389.091 2.768 20 0 GFADRO CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)C[C@@H]([NH3+])C1CC1 ZINC000825761040 660440858 /nfs/dbraw/zinc/44/08/58/660440858.db2.gz HHCPXMMBUDDSKV-CYBMUJFWSA-N 1 0 377.794 2.883 20 0 GFADRO Cn1nc(C(=O)Nc2ccc3ccn(CC[NH+](C)C)c3c2)cc1Br ZINC000825972755 660446858 /nfs/dbraw/zinc/44/68/58/660446858.db2.gz BVDZMYYUAXXDEK-UHFFFAOYSA-N 1 0 390.285 2.951 20 0 GFADRO C[C@]12CC[N@H+](CC[C@@H]3CCOC3=O)C[C@H]1C2(Br)Br ZINC000852335646 661860970 /nfs/dbraw/zinc/86/09/70/661860970.db2.gz JLWCWEPMBSKGIZ-FOGDFJRCSA-N 1 0 381.108 2.768 20 0 GFADRO O=C(NCC1CC[NH+](CC2CC2)CC1)c1ccc2c(Br)cnn2c1 ZINC000826685349 660461354 /nfs/dbraw/zinc/46/13/54/660461354.db2.gz DTINJAXKXHCNSK-UHFFFAOYSA-N 1 0 391.313 2.949 20 0 GFADRO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)c1csc(I)n1 ZINC000826790444 660464869 /nfs/dbraw/zinc/46/48/69/660464869.db2.gz IAAMXGVIWGQMML-UWVGGRQHSA-N 1 0 393.294 2.740 20 0 GFADRO O=C(C[C@H]1C(=O)Nc2ccc(Br)cc21)N1CCC([NH+]2CCC2)CC1 ZINC000826935573 660472337 /nfs/dbraw/zinc/47/23/37/660472337.db2.gz ASDVJMUNRYFSIH-OAHLLOKOSA-N 1 0 392.297 2.572 20 0 GFADRO CCC[C@@](C)([NH3+])C(=O)N1CC[C@@]2(C)[C@@H](C1)C2(Br)Br ZINC000852901510 661876813 /nfs/dbraw/zinc/87/68/13/661876813.db2.gz JRQUFBCODCNEAA-ADEWGFFLSA-N 1 0 382.140 2.858 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)c1cc(Br)n[nH]1 ZINC000827094399 660478855 /nfs/dbraw/zinc/47/88/55/660478855.db2.gz OIISCHRYICSNCR-CQSZACIVSA-N 1 0 392.301 2.694 20 0 GFADRO CC[C@@H](C)[C@H]([NH3+])C(=O)N1CC[C@@]2(C)[C@@H](C1)C2(Br)Br ZINC000852901900 661876892 /nfs/dbraw/zinc/87/68/92/661876892.db2.gz VFOIOSVWROBSGI-SVDPJWKOSA-N 1 0 382.140 2.714 20 0 GFADRO CCCn1cc(NC(=O)[C@](C)([NH3+])c2ccc(Br)cc2)ccc1=O ZINC000827341166 660490358 /nfs/dbraw/zinc/49/03/58/660490358.db2.gz TZKQSNBTVRBTKU-QGZVFWFLSA-N 1 0 378.270 2.833 20 0 GFADRO C[N@@H+]1CC[C@H]2CN(C(=O)c3ccc(I)cc3F)CC[C@@H]21 ZINC000827245120 660485914 /nfs/dbraw/zinc/48/59/14/660485914.db2.gz IKNZLACTMCIEBE-HZMBPMFUSA-N 1 0 388.224 2.597 20 0 GFADRO COc1cc(Br)ccc1CCC(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000827286428 660487880 /nfs/dbraw/zinc/48/78/80/660487880.db2.gz GVACORQUPYWDOZ-ZBFHGGJFSA-N 1 0 381.314 2.943 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc(=O)[nH]c4ccc(Br)cc43)CC[C@@H]21 ZINC000827309935 660488444 /nfs/dbraw/zinc/48/84/44/660488444.db2.gz IYIGTGBXRNJEHX-BZNIZROVSA-N 1 0 390.281 2.869 20 0 GFADRO C[C@H](C(=O)N1CCC([NH+]2CCN(C)CC2)CC1)c1ccc(Br)cc1 ZINC000827445238 660495851 /nfs/dbraw/zinc/49/58/51/660495851.db2.gz IWFFDFKLWQFKQB-HNNXBMFYSA-N 1 0 394.357 2.791 20 0 GFADRO COc1cc(Cl)c(Cl)cc1C(=O)N1CCC([NH+]2CCN(C)CC2)CC1 ZINC000827449289 660496490 /nfs/dbraw/zinc/49/64/90/660496490.db2.gz CMSOGNOXNIUQAT-UHFFFAOYSA-N 1 0 386.323 2.854 20 0 GFADRO CN1CC[NH+](C2CCN(C(=O)COc3ccc(Cl)cc3Cl)CC2)CC1 ZINC000827473752 660498415 /nfs/dbraw/zinc/49/84/15/660498415.db2.gz MRCYEOCVPDFPCR-UHFFFAOYSA-N 1 0 386.323 2.611 20 0 GFADRO C[NH+](C)CC1CCN(C(=O)[C@@]2(C)CC2(Br)Br)CC1 ZINC000827506020 660499790 /nfs/dbraw/zinc/49/97/90/660499790.db2.gz BEWSEPZSQCLRPG-GFCCVEGCSA-N 1 0 382.140 2.683 20 0 GFADRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)c1ccc(C(F)(F)Br)nc1 ZINC000827898385 660522157 /nfs/dbraw/zinc/52/21/57/660522157.db2.gz NLOFUKKZQHBYMB-NSHDSACASA-N 1 0 376.245 2.940 20 0 GFADRO CCC1([NH+]2CCCC2)CCN(C(=O)c2cc(=O)n(C)cc2Br)CC1 ZINC000828018944 660526686 /nfs/dbraw/zinc/52/66/86/660526686.db2.gz OCTSRCKCWUIZFB-UHFFFAOYSA-N 1 0 396.329 2.628 20 0 GFADRO [NH3+]Cc1cc(C(=O)N2CCO[C@H](c3ccccc3Br)C2)ccn1 ZINC000828121571 660535134 /nfs/dbraw/zinc/53/51/34/660535134.db2.gz FIFIFIYFUPSVAV-INIZCTEOSA-N 1 0 376.254 2.517 20 0 GFADRO Cn1c(C(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3C)cc2cc(Br)cnc21 ZINC000828958890 660576783 /nfs/dbraw/zinc/57/67/83/660576783.db2.gz JRUANZCUSPCGPE-ZIAGYGMSSA-N 1 0 377.286 2.645 20 0 GFADRO CN(CC[NH+]1CC2(C1)CCOCC2)C(=O)Cc1ccc(Br)s1 ZINC000829267767 660587024 /nfs/dbraw/zinc/58/70/24/660587024.db2.gz ZBMYLLHEHWMTLB-UHFFFAOYSA-N 1 0 387.343 2.624 20 0 GFADRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1cc(Br)n[nH]1 ZINC000829694485 660607637 /nfs/dbraw/zinc/60/76/37/660607637.db2.gz OZBCWIWWIYWJCV-OCCSQVGLSA-N 1 0 377.286 2.813 20 0 GFADRO O=C(c1cc(Cl)nc(C(F)(F)F)c1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000829731171 660610250 /nfs/dbraw/zinc/61/02/50/660610250.db2.gz SPSVACAUSPSTBO-NSHDSACASA-N 1 0 377.794 2.548 20 0 GFADRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)Nc1ccc(-c2ccc(Br)s2)nn1 ZINC000625885102 652374837 /nfs/dbraw/zinc/37/48/37/652374837.db2.gz QABGMUXLPCYCBG-DTWKUNHWSA-N 1 0 382.287 2.840 20 0 GFADRO O=C1OCCN1C[C@@H]1CC[N@@H+](C[C@@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000830094967 660634512 /nfs/dbraw/zinc/63/45/12/660634512.db2.gz JZZHMLDGHVIHSL-TZMCWYRMSA-N 1 0 389.279 2.507 20 0 GFADRO O=C1OCCN1C[C@@H]1CC[N@@H+](C[C@@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000830094977 660634545 /nfs/dbraw/zinc/63/45/45/660634545.db2.gz KGYBTRACDAYOGW-CHWSQXEVSA-N 1 0 389.279 2.507 20 0 GFADRO [NH3+]CCCCCCCn1nnc(-c2ccccc2I)n1 ZINC000830334154 660649092 /nfs/dbraw/zinc/64/90/92/660649092.db2.gz ZVYXNGHFRJSSIQ-UHFFFAOYSA-N 1 0 385.253 2.854 20 0 GFADRO O=S(=O)(NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1c[nH]nc1Cl ZINC000830452053 660657377 /nfs/dbraw/zinc/65/73/77/660657377.db2.gz XCEJNQBEFHJWPH-GOOCMWNKSA-N 1 0 380.901 2.537 20 0 GFADRO C[C@H]1C[C@H](N(C)S(=O)(=O)c2c[nH]nc2Cl)CC[N@@H+]1Cc1ccccc1 ZINC000830589866 660666138 /nfs/dbraw/zinc/66/61/38/660666138.db2.gz SBBBXBXVYDWZOT-DZGCQCFKSA-N 1 0 382.917 2.737 20 0 GFADRO O=C(N[C@H]1C[NH2+]CCC1(F)F)N1CCO[C@H](c2c(F)cccc2Cl)C1 ZINC000831196422 660703273 /nfs/dbraw/zinc/70/32/73/660703273.db2.gz BXZQWYRSFCOIQV-STQMWFEESA-N 1 0 377.794 2.559 20 0 GFADRO [NH3+]CCCCCC(=O)N[C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000831235294 660704893 /nfs/dbraw/zinc/70/48/93/660704893.db2.gz BJEWGLRKOVZMCZ-GFCCVEGCSA-N 1 0 378.826 2.968 20 0 GFADRO [NH3+]C1(CNC(=O)c2cnn(-c3ncccc3Cl)c2C(F)(F)Cl)CCC1 ZINC000831549760 660712591 /nfs/dbraw/zinc/71/25/91/660712591.db2.gz KELLNJDRIVAITB-UHFFFAOYSA-N 1 0 390.221 2.820 20 0 GFADRO C[NH+]1CCC(C)(CNC(=O)c2ccc(C(F)(F)Br)nc2)CC1 ZINC000831877011 660733182 /nfs/dbraw/zinc/73/31/82/660733182.db2.gz UNDVNGMWFIVYHR-UHFFFAOYSA-N 1 0 376.245 2.988 20 0 GFADRO [NH3+]CCCCCC(=O)Nc1cc(-c2ccc(Br)cc2)nn1CCO ZINC000831905746 660735272 /nfs/dbraw/zinc/73/52/72/660735272.db2.gz POASCSDFUYAFPU-UHFFFAOYSA-N 1 0 395.301 2.763 20 0 GFADRO C[C@H](NC(=O)[C@]1(C)CC1(Br)Br)C1=CC[N@H+](C)CC1 ZINC000831936332 660738539 /nfs/dbraw/zinc/73/85/39/660738539.db2.gz LVRJAQFUGXGPEO-CABZTGNLSA-N 1 0 380.124 2.649 20 0 GFADRO C[C@H]1[C@H](NC(=O)c2cc(Br)n(C)n2)CC[N@@H+]1Cc1ccccc1 ZINC000832815549 660801886 /nfs/dbraw/zinc/80/18/86/660801886.db2.gz ROIKMLSMELSPPP-GXTWGEPZSA-N 1 0 377.286 2.575 20 0 GFADRO C[C@@H]1[C@@H](NC(=O)c2cc(Br)n(C)n2)CC[N@@H+]1Cc1ccccc1 ZINC000832815551 660801944 /nfs/dbraw/zinc/80/19/44/660801944.db2.gz ROIKMLSMELSPPP-OCCSQVGLSA-N 1 0 377.286 2.575 20 0 GFADRO C[C@@](O)(C[NH2+]C1CCN(C(=O)C2CC2)CC1)c1ccc(Br)cc1F ZINC000834356957 660815895 /nfs/dbraw/zinc/81/58/95/660815895.db2.gz BMFJEFPLKKRCRV-GOSISDBHSA-N 1 0 399.304 2.786 20 0 GFADRO C[C@@H](NCc1cccnc1N1CC[NH+](C)CC1)c1nc(Br)cs1 ZINC000834538771 660823863 /nfs/dbraw/zinc/82/38/63/660823863.db2.gz YHWWOJJMXMAPIG-GFCCVEGCSA-N 1 0 396.358 2.903 20 0 GFADRO C[C@H](CCCc1cccnc1)[NH2+]C1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000834620023 660827082 /nfs/dbraw/zinc/82/70/82/660827082.db2.gz MXHTURQMLQJARQ-CYBMUJFWSA-N 1 0 379.448 2.696 20 0 GFADRO COc1ncc(C(=O)NC2CCC(C)([NH+]3CCC3)CC2)cc1Br ZINC000834772383 660832815 /nfs/dbraw/zinc/83/28/15/660832815.db2.gz QFRZSOVWESGDQA-UHFFFAOYSA-N 1 0 382.302 2.990 20 0 GFADRO CCC(CC)[C@H](CNC(=O)C(=O)Nc1cc(C)cc(Br)n1)[NH+](C)C ZINC000835134831 660841954 /nfs/dbraw/zinc/84/19/54/660841954.db2.gz LKHFFWZPNRNBNY-ZDUSSCGKSA-N 1 0 399.333 2.574 20 0 GFADRO COc1cc[nH+]c(N2CCN(C(=O)NCC[C@]3(C)CC3(Cl)Cl)CC2)c1 ZINC000836617309 660921045 /nfs/dbraw/zinc/92/10/45/660921045.db2.gz CKIZAKWNHWMMLQ-MRXNPFEDSA-N 1 0 387.311 2.896 20 0 GFADRO COCCC[NH+]1CCC(NC(=O)Nc2ccnc(Br)c2C)CC1 ZINC000836674638 660924747 /nfs/dbraw/zinc/92/47/47/660924747.db2.gz CBGDTHFQEMRBQF-UHFFFAOYSA-N 1 0 385.306 2.775 20 0 GFADRO C[NH+]1CCN(c2ccc(CNC(=S)Nc3cccc(Cl)c3)cn2)CC1 ZINC000010940587 654494928 /nfs/dbraw/zinc/49/49/28/654494928.db2.gz BSIRLJNCMJTOSA-UHFFFAOYSA-N 1 0 375.929 2.973 20 0 GFADRO CCOC(=O)c1c(-c2cccs2)csc1NC(=O)CC[N@H+](C)CCO ZINC000011599364 654497881 /nfs/dbraw/zinc/49/78/81/654497881.db2.gz FOXBGGZZTMPLPK-UHFFFAOYSA-N 1 0 382.507 2.906 20 0 GFADRO C[NH+](C)CCCNC(=S)NNC(=S)Nc1ccc(Cl)cc1Cl ZINC000023102327 654536007 /nfs/dbraw/zinc/53/60/07/654536007.db2.gz DFCKYSIEDKLCBR-UHFFFAOYSA-N 1 0 380.370 2.611 20 0 GFADRO COc1ccc(Br)c(C(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)c1 ZINC000028012084 654568368 /nfs/dbraw/zinc/56/83/68/654568368.db2.gz PBTQQKAQYVBNOV-AWEZNQCLSA-N 1 0 385.302 2.544 20 0 GFADRO COc1ccc(Br)c(C(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)c1 ZINC000028012077 654568396 /nfs/dbraw/zinc/56/83/96/654568396.db2.gz PBTQQKAQYVBNOV-CQSZACIVSA-N 1 0 385.302 2.544 20 0 GFADRO CC[C@H]1CCC[N@H+](CC(=O)Nc2ccc(Cl)c(S(=O)(=O)N(C)C)c2)C1 ZINC000030142078 654582734 /nfs/dbraw/zinc/58/27/34/654582734.db2.gz BTFAWPGPLYHFFL-ZDUSSCGKSA-N 1 0 387.933 2.651 20 0 GFADRO CCC[C@H](C)[N@H+](C)CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000030269522 654584374 /nfs/dbraw/zinc/58/43/74/654584374.db2.gz BBFYLCUJJRQHEN-LBPRGKRZSA-N 1 0 375.922 2.649 20 0 GFADRO O[C@H](C[NH2+]Cc1cccc(Br)c1)CN1CCc2ccccc2C1 ZINC000030903570 654590009 /nfs/dbraw/zinc/59/00/09/654590009.db2.gz SBJJBVKMFTXJML-LJQANCHMSA-N 1 0 375.310 2.958 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)NCC[NH+]1CCCCC1 ZINC000041134932 654623028 /nfs/dbraw/zinc/62/30/28/654623028.db2.gz KMFIDKZIDUKERD-UHFFFAOYSA-N 1 0 382.302 2.607 20 0 GFADRO Cc1cc(NC(=O)C(=O)NC2CC[NH+](CC(C)C)CC2)ccc1Br ZINC000041277552 654625248 /nfs/dbraw/zinc/62/52/48/654625248.db2.gz CDZKGQCMMHRQGY-UHFFFAOYSA-N 1 0 396.329 2.933 20 0 GFADRO COc1ccc(Br)cc1S(=O)(=O)NCC1([NH+](C)C)CCCC1 ZINC000041630767 654628591 /nfs/dbraw/zinc/62/85/91/654628591.db2.gz XGLWUYDJQVHCCL-UHFFFAOYSA-N 1 0 391.331 2.610 20 0 GFADRO Cc1csc([C@](O)(CC(=O)NCCCC[N@@H+](C)C2CC2)C(F)(F)F)n1 ZINC000837224237 660979878 /nfs/dbraw/zinc/97/98/78/660979878.db2.gz CLXNKQGSPOYPMC-OAHLLOKOSA-N 1 0 379.448 2.582 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(F)cc1I ZINC000042821293 654645606 /nfs/dbraw/zinc/64/56/06/654645606.db2.gz GBVIIJJKHAUYLC-LLVKDONJSA-N 1 0 376.213 2.644 20 0 GFADRO Cc1ccc(-n2cnnc2SCC(=O)NCC(C)(C)[NH+](C)C)cc1Cl ZINC000043687346 654651019 /nfs/dbraw/zinc/65/10/19/654651019.db2.gz NFISWNLXZPFLOH-UHFFFAOYSA-N 1 0 381.933 2.778 20 0 GFADRO CC[NH+]1CCN(Cc2ccccc2CNC(=S)NCCCSC)CC1 ZINC000044184667 654655139 /nfs/dbraw/zinc/65/51/39/654655139.db2.gz JKMKXZPWSBDDDR-UHFFFAOYSA-N 1 0 380.627 2.541 20 0 GFADRO COc1cc(C(=O)NCC[N@@H+]2CCC[C@H](C)C2)cc(OC)c1Br ZINC000046878920 654687026 /nfs/dbraw/zinc/68/70/26/654687026.db2.gz YPRIAYRSMAOCLD-LBPRGKRZSA-N 1 0 385.302 2.928 20 0 GFADRO C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000048189728 654703374 /nfs/dbraw/zinc/70/33/74/654703374.db2.gz OWCYTYKYZQXURO-LLVKDONJSA-N 1 0 384.307 2.855 20 0 GFADRO CC[NH+](CC)CCCNC(=O)C(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000048669105 654711000 /nfs/dbraw/zinc/71/10/00/654711000.db2.gz PDKMZOGPUGHSEH-UHFFFAOYSA-N 1 0 377.819 2.728 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH2+][C@@H]1CCS(=O)(=O)C1 ZINC000048686467 654711444 /nfs/dbraw/zinc/71/14/44/654711444.db2.gz PSVQGEJPGXUYHI-CQSZACIVSA-N 1 0 398.326 2.528 20 0 GFADRO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)CSC(F)(F)F)c1 ZINC000048808153 654713114 /nfs/dbraw/zinc/71/31/14/654713114.db2.gz IOURAFWJPRDWHN-UHFFFAOYSA-N 1 0 377.432 2.950 20 0 GFADRO Cc1cc(NC(=O)C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)ccc1Br ZINC000122292601 654732610 /nfs/dbraw/zinc/73/26/10/654732610.db2.gz LTJQZLGEARVNNG-XJKSGUPXSA-N 1 0 394.313 2.639 20 0 GFADRO O=C(c1c(Br)nc2n1CCCC2)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000837438312 660996804 /nfs/dbraw/zinc/99/68/04/660996804.db2.gz LQHPKHQJVJJRIV-AWEZNQCLSA-N 1 0 395.345 2.930 20 0 GFADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2c(Br)nc3n2CCCC3)C1 ZINC000837444504 660997649 /nfs/dbraw/zinc/99/76/49/660997649.db2.gz VONIVEVQUINTLX-ZDUSSCGKSA-N 1 0 383.334 2.786 20 0 GFADRO CC[N@H+](CC(=O)NCC(=O)Nc1ccccc1Br)C1CCCC1 ZINC000052908662 654741474 /nfs/dbraw/zinc/74/14/74/654741474.db2.gz UZHJAPZBIUNSMR-UHFFFAOYSA-N 1 0 382.302 2.768 20 0 GFADRO COc1cccc([C@H](CNC(=O)c2[nH]nc(C)c2Br)[NH+](C)C)c1 ZINC000053758284 654749844 /nfs/dbraw/zinc/74/98/44/654749844.db2.gz NRKHLKADWPTBBF-ZDUSSCGKSA-N 1 0 381.274 2.522 20 0 GFADRO C[C@@H]1C[C@H](N(C)C(=O)c2cc(Br)c3c(c2)OCCO3)CC[N@@H+]1C ZINC000123240074 654754013 /nfs/dbraw/zinc/75/40/13/654754013.db2.gz UFHSRAJROKQDMU-DGCLKSJQSA-N 1 0 383.286 2.775 20 0 GFADRO CC[NH+]1CCN(CCCNC(=O)[C@H](C)Cc2ccc(Br)cc2)CC1 ZINC000123258188 654754489 /nfs/dbraw/zinc/75/44/89/654754489.db2.gz QHZCPOSAMLCRFN-MRXNPFEDSA-N 1 0 396.373 2.772 20 0 GFADRO COc1ccc(C(=O)N2CCN(c3cc[nH+]cc3)CC2)c(Br)c1 ZINC000123920465 654765746 /nfs/dbraw/zinc/76/57/46/654765746.db2.gz GHNUBJLHJYJAOP-UHFFFAOYSA-N 1 0 376.254 2.815 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CNC(=S)Nc1ccc(NS(=O)(=O)CC)c(C)c1 ZINC000054984215 654766708 /nfs/dbraw/zinc/76/67/08/654766708.db2.gz DIQHPWHOOQHOIJ-OAHLLOKOSA-N 1 0 384.571 2.527 20 0 GFADRO O=C(NCCc1ccc(Br)s1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000055076613 654768466 /nfs/dbraw/zinc/76/84/66/654768466.db2.gz YPSASVSCHVUESO-UHFFFAOYSA-N 1 0 395.326 2.980 20 0 GFADRO C[NH+](C)CCN(Cc1ccccn1)S(=O)(=O)Cc1cc(Cl)ccc1F ZINC000124010972 654768704 /nfs/dbraw/zinc/76/87/04/654768704.db2.gz KMNXAZIZKQTCRA-UHFFFAOYSA-N 1 0 385.892 2.768 20 0 GFADRO CCc1nc(C(=O)N(C)C2CC[NH2+]CC2)nn1-c1c(Cl)cccc1Cl ZINC000125332571 654791377 /nfs/dbraw/zinc/79/13/77/654791377.db2.gz YPUVXQPWHUYCIO-UHFFFAOYSA-N 1 0 382.295 2.961 20 0 GFADRO C[C@@H]1CCC[N@@H+]1C1CCN(C(=O)CS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000125441334 654794881 /nfs/dbraw/zinc/79/48/81/654794881.db2.gz RIXXWWIIVHOJMJ-CQSZACIVSA-N 1 0 384.929 2.589 20 0 GFADRO Cn1cc(Br)cc1C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1 ZINC000057054855 654798773 /nfs/dbraw/zinc/79/87/73/654798773.db2.gz RSEKIJYHICEUIN-UHFFFAOYSA-N 1 0 391.313 2.787 20 0 GFADRO Cc1c(C(=O)NC[C@@H](C)[N@H+](C)C2CC2)nnn1-c1cccc(Br)c1 ZINC000057702729 654808548 /nfs/dbraw/zinc/80/85/48/654808548.db2.gz BMUNILWHQOURJM-LLVKDONJSA-N 1 0 392.301 2.551 20 0 GFADRO CN(C)S(=O)(=O)CCC[N@@H+]1CCC[C@@H]1c1cccc(Br)c1 ZINC000057872411 654811130 /nfs/dbraw/zinc/81/11/30/654811130.db2.gz HTQYDVFJCMDZMD-OAHLLOKOSA-N 1 0 375.332 2.868 20 0 GFADRO O[C@@H](COc1c(Cl)cccc1Cl)CN1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000057941900 654812778 /nfs/dbraw/zinc/81/27/78/654812778.db2.gz GCLODKSGDHKAGR-CABCVRRESA-N 1 0 389.323 2.530 20 0 GFADRO C[C@@H](C(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1)c1ccc(Br)cc1 ZINC000126607603 654816291 /nfs/dbraw/zinc/81/62/91/654816291.db2.gz JWWJKINZPCZWIU-RHSMWYFYSA-N 1 0 383.330 2.762 20 0 GFADRO CCC(=O)N1CC[C@@H]([NH2+][C@H](C)CC(=O)Nc2ccc(Br)cc2)C1 ZINC000126663353 654818229 /nfs/dbraw/zinc/81/82/29/654818229.db2.gz NZHMTLYLKVGNKI-IUODEOHRSA-N 1 0 382.302 2.767 20 0 GFADRO CCc1ncsc1NC(=O)C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000127518830 654831117 /nfs/dbraw/zinc/83/11/17/654831117.db2.gz DLXQZRKJWSQRPH-CYBMUJFWSA-N 1 0 378.523 2.659 20 0 GFADRO CC(C)C(=O)NC1CC[NH+](C[C@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000061023545 654835566 /nfs/dbraw/zinc/83/55/66/654835566.db2.gz NDZMKXQEPCGSOG-HNNXBMFYSA-N 1 0 389.323 2.970 20 0 GFADRO C[C@H](NC(=O)CN1CCC[N@@H+](C2CC2)CC1)c1ccc(Br)cc1 ZINC000061041261 654835592 /nfs/dbraw/zinc/83/55/92/654835592.db2.gz RPNPKESORXWPQA-AWEZNQCLSA-N 1 0 380.330 2.796 20 0 GFADRO CC(C)(C)n1cc(C(=O)NCc2ccc3c[nH+]cn3c2)c(Br)n1 ZINC000837858120 661018349 /nfs/dbraw/zinc/01/83/49/661018349.db2.gz ZGZXKCXAFBGAKT-UHFFFAOYSA-N 1 0 376.258 2.978 20 0 GFADRO O=C(NCC[NH+]1CCCCC1)C(=O)Nc1cccc(C2SCCS2)c1 ZINC000061982156 654843293 /nfs/dbraw/zinc/84/32/93/654843293.db2.gz JGBRHFKILCAKHN-UHFFFAOYSA-N 1 0 379.551 2.706 20 0 GFADRO COCCCC[NH2+]Cc1cc(I)c(OC)c(OC)c1 ZINC000063313279 654852114 /nfs/dbraw/zinc/85/21/14/654852114.db2.gz KXCBKXLXGLVICU-UHFFFAOYSA-N 1 0 379.238 2.825 20 0 GFADRO C[N@H+](CCC(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1Cl)C1CC1 ZINC000063496473 654853348 /nfs/dbraw/zinc/85/33/48/654853348.db2.gz JXSZYTJMEGDBQP-UHFFFAOYSA-N 1 0 385.917 2.547 20 0 GFADRO CC(C)[C@H]1CCC[N@@H+]1CC(=O)NCC(=O)Nc1ccccc1Br ZINC000063618646 654855237 /nfs/dbraw/zinc/85/52/37/654855237.db2.gz BZNRGGKJRFAAQL-OAHLLOKOSA-N 1 0 382.302 2.624 20 0 GFADRO C[NH+](C)C1CCN(C(=O)CNC(=O)c2sc3ccccc3c2Cl)CC1 ZINC000063735188 654856840 /nfs/dbraw/zinc/85/68/40/654856840.db2.gz BAILYKYFYKNZGO-UHFFFAOYSA-N 1 0 379.913 2.837 20 0 GFADRO C[NH+](C)CCNC(=S)N1CCc2[nH]c3c(cccc3Br)c2C1 ZINC000063791097 654858309 /nfs/dbraw/zinc/85/83/09/654858309.db2.gz NFNRZADLDZUVSW-UHFFFAOYSA-N 1 0 381.343 2.725 20 0 GFADRO Cc1cc(Br)c(S(=O)(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)s1 ZINC000266199641 654862487 /nfs/dbraw/zinc/86/24/87/654862487.db2.gz OGUCSSWEFWVEPD-LBPRGKRZSA-N 1 0 393.372 2.925 20 0 GFADRO Cc1ccc(Cl)cc1S(=O)(=O)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000064345218 654866957 /nfs/dbraw/zinc/86/69/57/654866957.db2.gz VNWANOFBMDLCMS-UHFFFAOYSA-N 1 0 386.945 2.771 20 0 GFADRO COCC[N@H+](C)CCCNC(=O)Nc1nnc(-c2cccc(Cl)c2)s1 ZINC000129559559 654867112 /nfs/dbraw/zinc/86/71/12/654867112.db2.gz WOKUHKUALNMJDN-UHFFFAOYSA-N 1 0 383.905 2.948 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)[C@]12CCC(=O)N1c1cc(Cl)ccc1S2)C1CC1 ZINC000064807332 654875352 /nfs/dbraw/zinc/87/53/52/654875352.db2.gz KSMQFLHRDXXIHN-KBXCAEBGSA-N 1 0 379.913 2.725 20 0 GFADRO CC[NH2+]CC1CCN(S(=O)(=O)c2ccc(F)cc2Br)CC1 ZINC000129962358 654879181 /nfs/dbraw/zinc/87/91/81/654879181.db2.gz PYSVUZVZUPCNHT-UHFFFAOYSA-N 1 0 379.295 2.598 20 0 GFADRO CCCNC(=O)[C@H]1CCC[N@H+](C[C@@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000065243594 654879528 /nfs/dbraw/zinc/87/95/28/654879528.db2.gz BAMQBXZLSVSYDD-DZGCQCFKSA-N 1 0 389.323 2.971 20 0 GFADRO NC(=O)COc1ccc(C[NH2+]CCc2ccc(F)c(Br)c2)cc1 ZINC000065978481 654892161 /nfs/dbraw/zinc/89/21/61/654892161.db2.gz VWYNHUURRAUIEA-UHFFFAOYSA-N 1 0 381.245 2.785 20 0 GFADRO O[C@@H](C[NH2+]Cc1cnc2ccccn12)COc1ccccc1Br ZINC000130978280 654894870 /nfs/dbraw/zinc/89/48/70/654894870.db2.gz ILXZYHOTRGEQEA-AWEZNQCLSA-N 1 0 376.254 2.626 20 0 GFADRO CSC[C@H]1CCCN1Cn1nc2n(c1=S)c1ccccc1c(=O)n2C ZINC000130989966 654895218 /nfs/dbraw/zinc/89/52/18/654895218.db2.gz PQCNYJTVMVMRHZ-GFCCVEGCSA-N 1 0 375.523 2.502 20 0 GFADRO C[N@@H+]1CCC[C@@H](CCNC(=O)/C=C\c2ccc(I)o2)C1 ZINC000838137159 661029883 /nfs/dbraw/zinc/02/98/83/661029883.db2.gz PJUGRQXXTDOJFG-HWPRWLFBSA-N 1 0 388.249 2.746 20 0 GFADRO Cc1cc(NC(=O)C(=O)N(CC[NH+](C)C)Cc2cccs2)cnc1Cl ZINC000131226203 654899627 /nfs/dbraw/zinc/89/96/27/654899627.db2.gz TUNBADFDEVKTOO-UHFFFAOYSA-N 1 0 380.901 2.634 20 0 GFADRO O=C(C[NH2+]C1(c2cccc(Br)c2)CCOCC1)NCC1CCC1 ZINC000066496520 654904048 /nfs/dbraw/zinc/90/40/48/654904048.db2.gz IJGQEETWIZIWHN-UHFFFAOYSA-N 1 0 381.314 2.961 20 0 GFADRO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(CCOc2cc(Cl)ccc2Cl)CC1 ZINC000131376354 654904245 /nfs/dbraw/zinc/90/42/45/654904245.db2.gz SFJPJQHGYQMFJB-INIZCTEOSA-N 1 0 386.323 2.786 20 0 GFADRO O=C(NCCCC[N@H+]1CCC[C@@H]1CO)c1cccnc1SC(F)(F)F ZINC000131372089 654904278 /nfs/dbraw/zinc/90/42/78/654904278.db2.gz VCUNWYNWCLEDSW-GFCCVEGCSA-N 1 0 377.432 2.660 20 0 GFADRO O[C@H](COc1ccc(Br)cc1)CN1CCC[C@@H]1C[NH+]1CCCC1 ZINC000066536355 654905339 /nfs/dbraw/zinc/90/53/39/654905339.db2.gz BHTSCKXNXJFCAS-SJORKVTESA-N 1 0 383.330 2.749 20 0 GFADRO COCCC[N@H+](C)CC(=O)Nc1ccc(I)cc1C ZINC000066865663 654918785 /nfs/dbraw/zinc/91/87/85/654918785.db2.gz KCCJBMCHACRBHI-UHFFFAOYSA-N 1 0 376.238 2.506 20 0 GFADRO COC(=O)[C@H](C)Sc1ccccc1C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000267226018 654918733 /nfs/dbraw/zinc/91/87/33/654918733.db2.gz IZXUYEGIBLEZDD-UGSOOPFHSA-N 1 0 382.551 2.507 20 0 GFADRO C[N@H+](CCNC(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl)C1CC1 ZINC000066924218 654921761 /nfs/dbraw/zinc/92/17/61/654921761.db2.gz PUMILXYVQUSAEW-INIZCTEOSA-N 1 0 384.307 2.808 20 0 GFADRO C[N@H+](CCO)C1CCN(S(=O)(=O)c2cc3cc(Cl)ccc3s2)CC1 ZINC000267487707 654930999 /nfs/dbraw/zinc/93/09/99/654930999.db2.gz CCYFJHVHRVVDFS-UHFFFAOYSA-N 1 0 388.942 2.632 20 0 GFADRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)Nc1cc(Br)cn(C)c1=O ZINC000267554210 654934791 /nfs/dbraw/zinc/93/47/91/654934791.db2.gz CYZBECXMLPPGJF-ZDUSSCGKSA-N 1 0 399.333 2.924 20 0 GFADRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)c2occc2Br)CC1 ZINC000267562263 654934964 /nfs/dbraw/zinc/93/49/64/654934964.db2.gz GUIVDLZFIPZNOC-ZIAGYGMSSA-N 1 0 384.318 2.673 20 0 GFADRO O=C(C[NH2+][C@@]1(CO)CCc2ccccc21)Nc1ccccc1Br ZINC000132387778 654936439 /nfs/dbraw/zinc/93/64/39/654936439.db2.gz GHWCRJMRHWUQBH-GOSISDBHSA-N 1 0 375.266 2.811 20 0 GFADRO CC(=O)N1CSC[C@H]1C(=O)NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000132459108 654938319 /nfs/dbraw/zinc/93/83/19/654938319.db2.gz WIUNZUCMNBEJQS-HOTGVXAUSA-N 1 0 381.567 2.559 20 0 GFADRO CC(=O)NC[C@H]1CCC[N@@H+](CC(=O)N(C)Cc2cc(Cl)cc(Cl)c2)C1 ZINC000067412859 654938672 /nfs/dbraw/zinc/93/86/72/654938672.db2.gz HQQVYRDHKYWWJY-CQSZACIVSA-N 1 0 386.323 2.800 20 0 GFADRO CC1CC[NH+](C[C@@H](O)CNC(=O)Nc2ccc(F)cc2Br)CC1 ZINC000067544439 654940545 /nfs/dbraw/zinc/94/05/45/654940545.db2.gz ZBGZJETXCLFNLM-ZDUSSCGKSA-N 1 0 388.281 2.803 20 0 GFADRO O=S(=O)(Cc1ccccc1)NCC[NH2+]Cc1ccc(Br)cc1 ZINC000067718186 654943716 /nfs/dbraw/zinc/94/37/16/654943716.db2.gz SWNKJZOBYMQZMM-UHFFFAOYSA-N 1 0 383.311 2.658 20 0 GFADRO C[NH+]1CCC(N(Cc2ccccc2F)C(=O)CSc2nncs2)CC1 ZINC000068113581 654955169 /nfs/dbraw/zinc/95/51/69/654955169.db2.gz VCDNDOUIKRCGRH-UHFFFAOYSA-N 1 0 380.514 2.892 20 0 GFADRO C[C@H]1C[C@H](NC(=O)c2cc(F)ccc2I)C[N@@H+]1C1CC1 ZINC000267991752 654955319 /nfs/dbraw/zinc/95/53/19/654955319.db2.gz QHIGIXALZHRGGW-ONGXEEELSA-N 1 0 388.224 2.785 20 0 GFADRO CCS(=O)(=O)N1CCC([NH2+][C@@H](C)c2cc(Cl)c(OC)cc2OC)CC1 ZINC000133202525 654956069 /nfs/dbraw/zinc/95/60/69/654956069.db2.gz KMFZMXBLSACAAB-LBPRGKRZSA-N 1 0 390.933 2.822 20 0 GFADRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)c2ccc(Br)o2)CC1 ZINC000133733954 654972825 /nfs/dbraw/zinc/97/28/25/654972825.db2.gz STQITNXBHBCLQG-ZIAGYGMSSA-N 1 0 384.318 2.673 20 0 GFADRO Cc1cc(I)cc(C(=O)N2CC[C@H](C[NH+](C)C)C2)c1C ZINC000133736312 654972844 /nfs/dbraw/zinc/97/28/44/654972844.db2.gz BAMPGVKXKCEDPY-CYBMUJFWSA-N 1 0 386.277 2.932 20 0 GFADRO C[NH+](C)CC1CCC(NC(=O)CNC(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000133769340 654973522 /nfs/dbraw/zinc/97/35/22/654973522.db2.gz ZRIQZUQHXIGSBN-UHFFFAOYSA-N 1 0 386.323 2.960 20 0 GFADRO COC(=O)C1CC[NH+](CCCNC(=O)c2cc(C)ccc2Br)CC1 ZINC000268637297 654980778 /nfs/dbraw/zinc/98/07/78/654980778.db2.gz RTCKYGQZMOEJJM-UHFFFAOYSA-N 1 0 397.313 2.762 20 0 GFADRO CC[C@](C)(CC(=O)OC)[NH2+]CCS(=O)(=O)c1ccc(Br)cc1 ZINC000134113485 654983377 /nfs/dbraw/zinc/98/33/77/654983377.db2.gz GZTQFEWYPSLLLQ-OAHLLOKOSA-N 1 0 392.315 2.544 20 0 GFADRO CCS(=O)(=O)N(C)CCC[NH2+][C@@H](C)c1ccc(OC(F)F)c(OC)c1 ZINC000268784310 654986469 /nfs/dbraw/zinc/98/64/69/654986469.db2.gz ATECGVISHIXJPN-LBPRGKRZSA-N 1 0 380.457 2.619 20 0 GFADRO CC[C@@H](C(=O)N1CCC(C(=O)Nc2cccc(Br)c2)CC1)[NH+](C)C ZINC000268804732 654987392 /nfs/dbraw/zinc/98/73/92/654987392.db2.gz HDXJXKMMEDYUTP-INIZCTEOSA-N 1 0 396.329 2.966 20 0 GFADRO CCC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@@H](O)c1ccccc1Br ZINC000838590448 661050302 /nfs/dbraw/zinc/05/03/02/661050302.db2.gz HPTIKNZLSSAFEO-XJKSGUPXSA-N 1 0 384.318 2.656 20 0 GFADRO COCCC[C@H]([NH2+]CCCS(C)(=O)=O)c1ccc(Br)cc1 ZINC000268845475 654989026 /nfs/dbraw/zinc/98/90/26/654989026.db2.gz GDMPJUPWYZNRMB-HNNXBMFYSA-N 1 0 378.332 2.941 20 0 GFADRO NC(=O)[C@H]1CCC[N@H+](CCCN[C@@H]2CCc3c2c(Br)ccc3F)C1 ZINC000134383357 654992949 /nfs/dbraw/zinc/99/29/49/654992949.db2.gz QRBNZDKQZZRHHV-BLLLJJGKSA-N 1 0 398.320 2.753 20 0 GFADRO CN(C)[C@]1(C[NH2+]C2CCN(C(=O)c3ccccc3Cl)CC2)CCSC1 ZINC000268997676 654994395 /nfs/dbraw/zinc/99/43/95/654994395.db2.gz TZELIRLIXOXFLQ-IBGZPJMESA-N 1 0 381.973 2.972 20 0 GFADRO C[C@H](Cn1cc(Br)cn1)[NH2+]Cc1cc(F)ccc1N1CCOCC1 ZINC000269002389 654994809 /nfs/dbraw/zinc/99/48/09/654994809.db2.gz PLGQGMFYWWXMDC-CYBMUJFWSA-N 1 0 397.292 2.800 20 0 GFADRO CC[NH+](CC)CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)Cn1cncn1 ZINC000070905336 654996706 /nfs/dbraw/zinc/99/67/06/654996706.db2.gz JMTKGCVUXAXREY-UHFFFAOYSA-N 1 0 384.311 2.956 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)C(=O)NCC[N@H+]1CCC[C@H](C)C1 ZINC000071010233 654998063 /nfs/dbraw/zinc/99/80/63/654998063.db2.gz SLAXYLIXVQGBAC-LBPRGKRZSA-N 1 0 382.302 2.544 20 0 GFADRO O=C(NCC[C@@H]1CC[NH2+]C1)C1(c2ccc(Br)cc2)CCOCC1 ZINC000269174902 655000720 /nfs/dbraw/zinc/00/07/20/655000720.db2.gz LSNHRHUEKQXGEP-AWEZNQCLSA-N 1 0 381.314 2.613 20 0 GFADRO C[C@@H](Oc1ccccc1Br)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000072246774 655003805 /nfs/dbraw/zinc/00/38/05/655003805.db2.gz KSHKXDCJMJURRR-GFCCVEGCSA-N 1 0 381.274 2.613 20 0 GFADRO COC(=O)[C@H](CC(C)C)NC(=O)C[N@H+](C)CCc1ccc(Br)cc1 ZINC000078610986 655004978 /nfs/dbraw/zinc/00/49/78/655004978.db2.gz OOJGOHGHDPAXGY-INIZCTEOSA-N 1 0 399.329 2.627 20 0 GFADRO NC(=O)c1csc(C[N@@H+]2CCC[C@H](C(=O)Nc3ccc(Cl)cn3)C2)c1 ZINC000091857114 655010607 /nfs/dbraw/zinc/01/06/07/655010607.db2.gz MOCPCLDBWZZGRK-NSHDSACASA-N 1 0 378.885 2.746 20 0 GFADRO C[C@@H]1CN(C(=O)NCC[C@@]2(C)CC2(Cl)Cl)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000838687587 661054605 /nfs/dbraw/zinc/05/46/05/661054605.db2.gz RKCCFOGNVAIXQG-INMHGKMJSA-N 1 0 391.387 2.628 20 0 GFADRO Cc1ccc(NC(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)c(Br)n1 ZINC000269495743 655011581 /nfs/dbraw/zinc/01/15/81/655011581.db2.gz MGKKITLRHDTNCP-GJZGRUSLSA-N 1 0 397.317 2.652 20 0 GFADRO CC[NH+]1CCN([C@@H](C)CNC(=O)c2cc(C)c(Br)cc2C)CC1 ZINC000092332134 655013668 /nfs/dbraw/zinc/01/36/68/655013668.db2.gz AELJYRIBQLVBGZ-HNNXBMFYSA-N 1 0 382.346 2.822 20 0 GFADRO CC(C)(C)OC(=O)C1CCC([NH2+]CCNS(=O)(=O)c2cccs2)CC1 ZINC000092568093 655014375 /nfs/dbraw/zinc/01/43/75/655014375.db2.gz YCPIHUJKQQWRCF-UHFFFAOYSA-N 1 0 388.555 2.517 20 0 GFADRO Cn1cc(Br)cc1C(=O)NC1CC[NH+](CC2(O)CCCCC2)CC1 ZINC000135423115 655016428 /nfs/dbraw/zinc/01/64/28/655016428.db2.gz SPYBGMYLLNJTHH-UHFFFAOYSA-N 1 0 398.345 2.677 20 0 GFADRO C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](c1ccc(Br)cc1)N1CCCC1 ZINC000135538089 655019581 /nfs/dbraw/zinc/01/95/81/655019581.db2.gz LTGCFPIGOQHAPS-IAGOWNOFSA-N 1 0 380.330 2.796 20 0 GFADRO Cn1ncc2c1CCC[C@H]2[N@H+](C)C[C@H](O)COc1ccc(Br)cc1 ZINC000135609633 655022492 /nfs/dbraw/zinc/02/24/92/655022492.db2.gz ZILLMQRWPPTFBG-WMLDXEAASA-N 1 0 394.313 2.932 20 0 GFADRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)c1cnn2cc(Br)cnc12 ZINC000093971242 655025643 /nfs/dbraw/zinc/02/56/43/655025643.db2.gz LCXLHIDOQHOOBM-ZDUSSCGKSA-N 1 0 394.317 2.876 20 0 GFADRO COc1cc(C[NH2+][C@H]2CC[C@H](O)CC2)cc(I)c1OC ZINC000269900429 655026690 /nfs/dbraw/zinc/02/66/90/655026690.db2.gz YZCXUFUKDLHKCT-HAQNSBGRSA-N 1 0 391.249 2.702 20 0 GFADRO C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)NCCC[NH+]1CCC(O)CC1 ZINC000136131721 655028082 /nfs/dbraw/zinc/02/80/82/655028082.db2.gz ALTFVKRLCIVWSG-LBPRGKRZSA-N 1 0 375.296 2.724 20 0 GFADRO O=S(=O)(C1CC1)N1CCC([NH2+]Cc2ccc(F)cc2Br)CC1 ZINC000136312642 655029766 /nfs/dbraw/zinc/02/97/66/655029766.db2.gz JHGCLWXYTOHUDS-UHFFFAOYSA-N 1 0 391.306 2.634 20 0 GFADRO COCCCN(C[C@@H](O)c1ccc(Cl)cc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000136358791 655030333 /nfs/dbraw/zinc/03/03/33/655030333.db2.gz CLMXUDYRXJJXMI-CZUORRHYSA-N 1 0 396.336 2.552 20 0 GFADRO C[C@@H](CNC(=O)Nc1cc(F)ccc1Br)C[NH+]1CCN(C)CC1 ZINC000136430979 655031492 /nfs/dbraw/zinc/03/14/92/655031492.db2.gz XSLHNTWPGZCFBF-LBPRGKRZSA-N 1 0 387.297 2.593 20 0 GFADRO COc1c(Br)cc(C[NH2+]C[C@@H]2CCC(=O)N2)cc1Br ZINC000096715524 655031987 /nfs/dbraw/zinc/03/19/87/655031987.db2.gz QLIFWWNSRGYYQT-VIFPVBQESA-N 1 0 392.091 2.588 20 0 GFADRO CSCC[C@@H](CO)NC(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000136808463 655035580 /nfs/dbraw/zinc/03/55/80/655035580.db2.gz XBNNUVOIIIXAKQ-DLBZAZTESA-N 1 0 385.961 2.890 20 0 GFADRO CC[NH+](CC)CCN(C(=O)c1ccc(C)c(Cl)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000270172332 655036133 /nfs/dbraw/zinc/03/61/33/655036133.db2.gz AMLABQSBLWGLMJ-MRXNPFEDSA-N 1 0 386.945 2.620 20 0 GFADRO COc1ccc(C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)c(Br)c1 ZINC000136944996 655037102 /nfs/dbraw/zinc/03/71/02/655037102.db2.gz XPTKNWQNONEJSD-CYBMUJFWSA-N 1 0 397.313 2.688 20 0 GFADRO C[C@H](C(=O)Nc1ccc(=O)n(CC[NH+](C)C)c1)c1ccc(Br)s1 ZINC000270250974 655038815 /nfs/dbraw/zinc/03/88/15/655038815.db2.gz QLZOARRECLZSID-NSHDSACASA-N 1 0 398.326 2.976 20 0 GFADRO C[NH+](C)C1CCN(C(=O)[C@@H]2CC(=O)N(c3cc(Cl)cc(Cl)c3)C2)CC1 ZINC000098035805 655038844 /nfs/dbraw/zinc/03/88/44/655038844.db2.gz GCPGLZVODMXNAA-GFCCVEGCSA-N 1 0 384.307 2.899 20 0 GFADRO CCCNC(=O)C[NH2+]Cc1c(C)nn(-c2ccc(Br)cc2)c1C ZINC000098161679 655041246 /nfs/dbraw/zinc/04/12/46/655041246.db2.gz XTCLUAYPCDUIBX-UHFFFAOYSA-N 1 0 379.302 2.867 20 0 GFADRO CC(C)OCCOC[C@H](O)C[N@H+](C)C[C@@H](O)c1ccc(Cl)cc1Cl ZINC000270344569 655041573 /nfs/dbraw/zinc/04/15/73/655041573.db2.gz RRUHIUPJIWEMLF-RHSMWYFYSA-N 1 0 380.312 2.761 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)[C@@H]1CCCC[C@@H]1[NH3+] ZINC000150715774 655046257 /nfs/dbraw/zinc/04/62/57/655046257.db2.gz ZLIKTQFFTOQBQV-KGLIPLIRSA-N 1 0 382.302 2.672 20 0 GFADRO COc1ccc(OC)c([C@@H](O)C[NH2+]Cc2cccc(O)c2Br)c1 ZINC000838895676 661062647 /nfs/dbraw/zinc/06/26/47/661062647.db2.gz SXQXQHQETMQELT-HNNXBMFYSA-N 1 0 382.254 2.995 20 0 GFADRO COC(=O)C1CC[NH+](CCCNC(=O)c2cnc(C)c(Cl)c2Cl)CC1 ZINC000270724564 655054086 /nfs/dbraw/zinc/05/40/86/655054086.db2.gz LNAPDDCYAPKYOA-UHFFFAOYSA-N 1 0 388.295 2.702 20 0 GFADRO OCC[NH+]1CCN(Cc2c(-c3ccc(Cl)cc3)nc3sccn23)CC1 ZINC000102669338 655057698 /nfs/dbraw/zinc/05/76/98/655057698.db2.gz KWRGRPHSUVXEPM-UHFFFAOYSA-N 1 0 376.913 2.826 20 0 GFADRO COCC[NH2+]CCNC(=O)c1csc(-c2ccc(Br)s2)n1 ZINC000152280632 655057895 /nfs/dbraw/zinc/05/78/95/655057895.db2.gz MREMGNAJGFWNOK-UHFFFAOYSA-N 1 0 390.328 2.600 20 0 GFADRO CC(=O)OC1CC[NH+](CCC(=O)Nc2ccc(Br)cc2F)CC1 ZINC000153225777 655065537 /nfs/dbraw/zinc/06/55/37/655065537.db2.gz AEJBYVDTEMNGRC-UHFFFAOYSA-N 1 0 387.249 2.944 20 0 GFADRO CC[NH+](CC)CCN(C(=O)c1cc(C)cc(Cl)c1)[C@H]1CCS(=O)(=O)C1 ZINC000271082878 655066132 /nfs/dbraw/zinc/06/61/32/655066132.db2.gz RQOMRVQWQWRKII-KRWDZBQOSA-N 1 0 386.945 2.620 20 0 GFADRO CC[NH+](CC)CCN(C(=O)c1ccc(Cl)c(C)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000271105127 655066859 /nfs/dbraw/zinc/06/68/59/655066859.db2.gz ZYUNDZHCYSSHGA-MRXNPFEDSA-N 1 0 386.945 2.620 20 0 GFADRO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)/C=C/c1ccc(I)o1 ZINC000153853766 655071485 /nfs/dbraw/zinc/07/14/85/655071485.db2.gz ACFNNLJOIHWKLD-VUDGCMKMSA-N 1 0 388.249 2.696 20 0 GFADRO FC(F)SCc1ccc(C[NH2+]CC2(N3CCOCC3)CCOCC2)o1 ZINC000839164814 661073864 /nfs/dbraw/zinc/07/38/64/661073864.db2.gz GSNBYIJHQNEXDT-UHFFFAOYSA-N 1 0 376.469 2.706 20 0 GFADRO O=C1CCCN1C1CC[NH+](C[C@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000104728509 655084553 /nfs/dbraw/zinc/08/45/53/655084553.db2.gz AHTXBUCKHYPAMP-AWEZNQCLSA-N 1 0 387.307 2.820 20 0 GFADRO COc1cc[nH+]c(N2CCN(S(=O)(=O)c3cc(Cl)ccc3C)CC2)c1 ZINC000104749225 655085629 /nfs/dbraw/zinc/08/56/29/655085629.db2.gz ODDSAZWNGPDXNN-UHFFFAOYSA-N 1 0 381.885 2.563 20 0 GFADRO CC[N@@H+]1CCC[C@H](CNC(=O)NCc2cn3cc(Br)ccc3n2)C1 ZINC000105172390 655089234 /nfs/dbraw/zinc/08/92/34/655089234.db2.gz PKSHYVJTQGEJOY-CYBMUJFWSA-N 1 0 394.317 2.628 20 0 GFADRO C[C@@H](CNC(=O)CCOc1ccc(Cl)c(Cl)c1)C[NH+]1CCN(C)CC1 ZINC000105321070 655090543 /nfs/dbraw/zinc/09/05/43/655090543.db2.gz VHJVNKQDLKHNND-AWEZNQCLSA-N 1 0 388.339 2.762 20 0 GFADRO C[C@@H]([NH2+]CC1=Cc2cc(Br)ccc2OC1)[C@H](C)N1CCOCC1 ZINC000105500771 655093601 /nfs/dbraw/zinc/09/36/01/655093601.db2.gz ZEPRUXOKBRUDGR-KGLIPLIRSA-N 1 0 381.314 2.924 20 0 GFADRO C[C@@H]([NH2+]CC(=O)Nc1ccc(Br)cn1)c1ccc([S@](C)=O)cc1 ZINC000271817396 655095566 /nfs/dbraw/zinc/09/55/66/655095566.db2.gz OHRYJTNIVFENIH-BGJPBQGDSA-N 1 0 396.310 2.871 20 0 GFADRO CC[C@H]([NH2+]C[C@@H]1CC[C@H](C(=O)N(C)C)O1)c1cc(Br)ccc1O ZINC000157029163 655097768 /nfs/dbraw/zinc/09/77/68/655097768.db2.gz CADKUMMLZVBJEZ-DUVNUKRYSA-N 1 0 385.302 2.831 20 0 GFADRO CC(C)C[C@](C)(C[NH3+])NC(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000157382645 655100421 /nfs/dbraw/zinc/10/04/21/655100421.db2.gz ZKHAFQDHIVRKRW-SCLBCKFNSA-N 1 0 396.329 2.682 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC000106408403 655108367 /nfs/dbraw/zinc/10/83/67/655108367.db2.gz TUVRJRDHEFLGIP-INIZCTEOSA-N 1 0 384.318 2.741 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)CCc2nc(-c3cc(Br)cs3)no2)C1 ZINC000272305592 655108490 /nfs/dbraw/zinc/10/84/90/655108490.db2.gz RDWNEBRMGWLEHH-NXEZZACHSA-N 1 0 399.314 2.689 20 0 GFADRO CC[N@H+](CCNC(=O)c1cnn(-c2cccc(Br)c2)c1)C1CC1 ZINC000106770539 655111080 /nfs/dbraw/zinc/11/10/80/655111080.db2.gz DBLPEPDIXXVDOM-UHFFFAOYSA-N 1 0 377.286 2.849 20 0 GFADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)CSc1cccc(C(F)(F)F)c1 ZINC000106816362 655111919 /nfs/dbraw/zinc/11/19/19/655111919.db2.gz HBQZVVCGLLRDQR-ZDUSSCGKSA-N 1 0 375.460 2.550 20 0 GFADRO O=S(=O)(N[C@H]1CC[N@@H+](C2CCCC2)C1)c1cc(Br)ccc1F ZINC000106891962 655113436 /nfs/dbraw/zinc/11/34/36/655113436.db2.gz IIJVGNLDPKDACG-LBPRGKRZSA-N 1 0 391.306 2.883 20 0 GFADRO CC(C)[C@H](C(=O)NC[C@H]1CCN(c2cccc(Br)c2)C1)[NH+](C)C ZINC000106910943 655114540 /nfs/dbraw/zinc/11/45/40/655114540.db2.gz OITGLYOJYLWGSV-RHSMWYFYSA-N 1 0 382.346 2.978 20 0 GFADRO CCC[C@H]1CN(Cn2nc(N3CCCC3)sc2=S)CC[N@@H+]1CCOC ZINC000159760883 655116848 /nfs/dbraw/zinc/11/68/48/655116848.db2.gz MEPPKTYOGPAWQZ-HNNXBMFYSA-N 1 0 385.603 2.664 20 0 GFADRO CC[NH+]1CCN([C@@H]2CCN(Cc3ccc(OC)c(Br)c3)C2)CC1 ZINC000107370905 655120317 /nfs/dbraw/zinc/12/03/17/655120317.db2.gz PMOLOJOQFFCXGP-MRXNPFEDSA-N 1 0 382.346 2.670 20 0 GFADRO O=C(Nc1cccc(Br)c1)C(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000107874076 655125724 /nfs/dbraw/zinc/12/57/24/655125724.db2.gz PNZUIUBXQXZHRC-INIZCTEOSA-N 1 0 394.313 2.865 20 0 GFADRO NS(=O)(=O)c1ccc(CC[N@@H+](Cc2cccs2)C[C@H]2CCCO2)cc1 ZINC000107909088 655126071 /nfs/dbraw/zinc/12/60/71/655126071.db2.gz FPNDDUJWUDDVJT-MRXNPFEDSA-N 1 0 380.535 2.619 20 0 GFADRO CCCCN(C)S(=O)(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000161833276 655128641 /nfs/dbraw/zinc/12/86/41/655128641.db2.gz CMBWPYQUHPRDIB-INIZCTEOSA-N 1 0 389.949 2.576 20 0 GFADRO C[C@@H](CNS(=O)(=O)c1ccc(Br)cc1F)[NH+]1CCCCC1 ZINC000162006714 655129615 /nfs/dbraw/zinc/12/96/15/655129615.db2.gz VESDDLQRZQYSEG-NSHDSACASA-N 1 0 379.295 2.741 20 0 GFADRO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)c1ccc(-n2cc(Br)cn2)cc1 ZINC000108307617 655130873 /nfs/dbraw/zinc/13/08/73/655130873.db2.gz XVTPYCGFEZJJCQ-MRXNPFEDSA-N 1 0 389.297 2.849 20 0 GFADRO C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C1 ZINC000108336723 655131235 /nfs/dbraw/zinc/13/12/35/655131235.db2.gz MWGANCIRMRVOTI-OCCSQVGLSA-N 1 0 384.307 2.804 20 0 GFADRO C[C@@H](CNC(=O)C[C@@H]1Sc2ccc(Cl)cc2NC1=O)C[NH+]1CCCC1 ZINC000108453110 655132925 /nfs/dbraw/zinc/13/29/25/655132925.db2.gz DBYGLEKFUSYRMH-LRDDRELGSA-N 1 0 381.929 2.991 20 0 GFADRO C[C@@H](CNC(=O)C[C@H]1Sc2ccc(Cl)cc2NC1=O)C[NH+]1CCCC1 ZINC000108453103 655132932 /nfs/dbraw/zinc/13/29/32/655132932.db2.gz DBYGLEKFUSYRMH-BLLLJJGKSA-N 1 0 381.929 2.991 20 0 GFADRO C[C@@H]1CCN(C(=O)c2cnn(C)c2Br)CC[N@@H+]1Cc1ccccc1 ZINC000273158001 655132995 /nfs/dbraw/zinc/13/29/95/655132995.db2.gz BFNUDFJGKHXNJI-CQSZACIVSA-N 1 0 391.313 2.919 20 0 GFADRO Cc1cc(Br)cn2c(CN3CC[C@H](C[NH+]4CCOCC4)C3)cnc12 ZINC000273160563 655133094 /nfs/dbraw/zinc/13/30/94/655133094.db2.gz KJVNEEUPWBYQHX-OAHLLOKOSA-N 1 0 393.329 2.559 20 0 GFADRO C[C@H]([NH3+])[C@H]1CN(C(=O)c2ccc(-c3ccc(Br)cc3)n2C)CCO1 ZINC000163132513 655134341 /nfs/dbraw/zinc/13/43/41/655134341.db2.gz GCILYMWDWDIRGW-YVEFUNNKSA-N 1 0 392.297 2.643 20 0 GFADRO Cc1cc(Br)cn2c(CN3CC[NH+](C4CCOCC4)CC3)cnc12 ZINC000273192012 655134433 /nfs/dbraw/zinc/13/44/33/655134433.db2.gz PZZUGCFJIYWNID-UHFFFAOYSA-N 1 0 393.329 2.702 20 0 GFADRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)c2sccc2S(=O)(=O)C(F)F)C1 ZINC000163539665 655135629 /nfs/dbraw/zinc/13/56/29/655135629.db2.gz FTRQSAOCXATLJY-LBPRGKRZSA-N 1 0 394.509 2.842 20 0 GFADRO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000164073913 655136625 /nfs/dbraw/zinc/13/66/25/655136625.db2.gz PEVUVECXFRTYRZ-QGZVFWFLSA-N 1 0 388.339 2.511 20 0 GFADRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc(I)c1)c1cnn(C)c1 ZINC000273278596 655137818 /nfs/dbraw/zinc/13/78/18/655137818.db2.gz HZWAWTMOPHBVGC-MNOVXSKESA-N 1 0 398.248 2.703 20 0 GFADRO O=S(=O)(c1ccc(Cl)cc1F)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000109546148 655148223 /nfs/dbraw/zinc/14/82/23/655148223.db2.gz CYFSCKJNPAFZDR-UHFFFAOYSA-N 1 0 390.908 2.602 20 0 GFADRO O=C(NCCCC[NH+]1CCOCC1)[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000109567357 655148831 /nfs/dbraw/zinc/14/88/31/655148831.db2.gz VSKBMWMYXFIHDW-DLBZAZTESA-N 1 0 381.314 2.781 20 0 GFADRO O[C@H](C[N@@H+]1CCCC[C@@H]1CN1CCOCC1)c1ccc(Br)cc1 ZINC000109821143 655152914 /nfs/dbraw/zinc/15/29/14/655152914.db2.gz HWYLNLASDDEHSE-QZTJIDSGSA-N 1 0 383.330 2.669 20 0 GFADRO C[NH+](C)CCOc1cccc(-c2noc(Cn3cc(Br)cn3)n2)c1 ZINC000273748884 655156858 /nfs/dbraw/zinc/15/68/58/655156858.db2.gz BWOFHHHDNHMJQW-UHFFFAOYSA-N 1 0 392.257 2.684 20 0 GFADRO CC(C)CCn1cccc1C[NH2+]CC1CCN(S(=O)(=O)C(F)F)CC1 ZINC000172630350 655159257 /nfs/dbraw/zinc/15/92/57/655159257.db2.gz DOFAWBZEJWRDAL-UHFFFAOYSA-N 1 0 377.501 2.888 20 0 GFADRO Cc1nc(CC[NH2+][C@H](CO)c2ccccc2I)cs1 ZINC000934826932 664924569 /nfs/dbraw/zinc/92/45/69/664924569.db2.gz JNQYJLBKANNTNP-CQSZACIVSA-N 1 0 388.274 2.922 20 0 GFADRO CC[N@@H+]1CCCN(C(=O)c2cnc(Sc3nccn3C)c(Cl)c2)CC1 ZINC000110814882 655159900 /nfs/dbraw/zinc/15/99/00/655159900.db2.gz RXNMUIPRPNQNLS-UHFFFAOYSA-N 1 0 379.917 2.788 20 0 GFADRO CN(C)[C@@H](CNC(=O)COc1ccc(C=O)cc1Br)c1ccco1 ZINC000173078833 655162624 /nfs/dbraw/zinc/16/26/24/655162624.db2.gz OMCMBMZKIMZGIO-AWEZNQCLSA-N 1 0 395.253 2.653 20 0 GFADRO C[C@@H](C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1)[N@H+](C)CC1CCC1 ZINC000111297524 655168216 /nfs/dbraw/zinc/16/82/16/655168216.db2.gz KPOOUKPEMUSMPF-LBPRGKRZSA-N 1 0 387.933 2.649 20 0 GFADRO Brc1ccc2[nH]nc(-c3nc([C@H]4C[N@@H+]5CCC[C@@H]5CO4)no3)c2c1 ZINC000274005876 655168517 /nfs/dbraw/zinc/16/85/17/655168517.db2.gz OAYLTPNVGYMIQZ-ZWNOBZJWSA-N 1 0 390.241 2.911 20 0 GFADRO C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@H+]1[C@@H]2CC[C@H]1CC(O)C2 ZINC000111317108 655168620 /nfs/dbraw/zinc/16/86/20/655168620.db2.gz SCXCDXGOBSODBY-AJSFGMTHSA-N 1 0 381.314 2.784 20 0 GFADRO COCCOC[C@H]1CCN(CN2C(=O)c3cc(Cl)c(Cl)cc3C2=O)C1 ZINC000173397903 655169774 /nfs/dbraw/zinc/16/97/74/655169774.db2.gz RXKPDGLMZQRJRJ-NSHDSACASA-N 1 0 387.263 2.532 20 0 GFADRO CCN1CC[NH+](C[C@H](C)CNC(=O)c2cccc(Br)c2C)CC1 ZINC000173404219 655170095 /nfs/dbraw/zinc/17/00/95/655170095.db2.gz ZKDLFUCHPUIXBQ-CQSZACIVSA-N 1 0 382.346 2.761 20 0 GFADRO C[C@@H]([NH2+]C1CCN(CCS(C)(=O)=O)CC1)c1cccc(Br)c1 ZINC000173404860 655170353 /nfs/dbraw/zinc/17/03/53/655170353.db2.gz IBZHTVPPNGNGHH-CYBMUJFWSA-N 1 0 389.359 2.609 20 0 GFADRO C[C@@H]1CSCC[N@H+](CCC(=O)Nc2sc3c(c2C(N)=O)CCCC3)C1 ZINC000839578121 661093370 /nfs/dbraw/zinc/09/33/70/661093370.db2.gz BCICCZFJYLFLDN-LBPRGKRZSA-N 1 0 381.567 2.739 20 0 GFADRO CCOCCN1CCN(C(=O)N[C@@H]2CCc3c2cccc3Br)CC1 ZINC000111853871 655178326 /nfs/dbraw/zinc/17/83/26/655178326.db2.gz QXNGRZKJVNDZAE-QGZVFWFLSA-N 1 0 396.329 2.800 20 0 GFADRO Cc1n[nH]c(CC[NH2+]Cc2cc(Br)cc(Br)c2N)n1 ZINC000274254589 655181932 /nfs/dbraw/zinc/18/19/32/655181932.db2.gz ZQYGENOMKLETSO-UHFFFAOYSA-N 1 0 389.095 2.553 20 0 GFADRO CC[NH+](CC)[C@@H]1CCN(S(=O)(=O)c2cc(Cl)c(NC(C)=O)cc2F)C1 ZINC000173993238 655188481 /nfs/dbraw/zinc/18/84/81/655188481.db2.gz RWWWHOQRXSXRKE-GFCCVEGCSA-N 1 0 391.896 2.542 20 0 GFADRO CC(C)(C)NS(=O)(=O)c1cc(C(=O)NCC[NH2+]C(C)(C)C)ccc1Cl ZINC000174244778 655194958 /nfs/dbraw/zinc/19/49/58/655194958.db2.gz UNSWSHDADZYMRD-UHFFFAOYSA-N 1 0 389.949 2.535 20 0 GFADRO CN(C)c1ncc(Br)cc1C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000174254489 655195528 /nfs/dbraw/zinc/19/55/28/655195528.db2.gz RHKBQPPNOOWZTB-AGUYFDCRSA-N 1 0 381.318 2.655 20 0 GFADRO CS(=O)(=O)CCCCC[NH2+]Cc1cn(-c2cccc(Cl)c2Cl)nn1 ZINC000274716291 655198263 /nfs/dbraw/zinc/19/82/63/655198263.db2.gz CKASUSRQXDOCBP-UHFFFAOYSA-N 1 0 391.324 2.879 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)c2ccc(Oc3cccc(Cl)c3Cl)nc2)CCO1 ZINC000274722938 655198809 /nfs/dbraw/zinc/19/88/09/655198809.db2.gz BPZXYXZIPKMMGL-LBPRGKRZSA-N 1 0 382.247 2.980 20 0 GFADRO O=C(Nc1cccc(I)c1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000174425967 655202368 /nfs/dbraw/zinc/20/23/68/655202368.db2.gz YHCMJRIBPMCRPM-CQSZACIVSA-N 1 0 383.233 2.769 20 0 GFADRO O=S(=O)(c1ccc2ncsc2c1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000274798086 655202452 /nfs/dbraw/zinc/20/24/52/655202452.db2.gz PPSFKGTXVQONDC-SUMWQHHRSA-N 1 0 377.535 2.934 20 0 GFADRO CCOc1ccc(Br)cc1NC(=O)CCN1CC[NH+](CC)CC1 ZINC000174576999 655204046 /nfs/dbraw/zinc/20/40/46/655204046.db2.gz LAFAMPPWUJDKLD-UHFFFAOYSA-N 1 0 384.318 2.814 20 0 GFADRO CC(C)[NH+]1CCC(NC(=O)CSc2nnc(NCC(F)(F)F)s2)CC1 ZINC000114218452 655218497 /nfs/dbraw/zinc/21/84/97/655218497.db2.gz BKMZXMDCYSUVLO-UHFFFAOYSA-N 1 0 397.492 2.593 20 0 GFADRO CC[N@@H+]1CC[C@@H](CNC(=O)CNC(=O)c2sc3ccccc3c2Cl)C1 ZINC000175316847 655220335 /nfs/dbraw/zinc/22/03/35/655220335.db2.gz HSFBVTUJOCMTRL-LBPRGKRZSA-N 1 0 379.913 2.743 20 0 GFADRO C[C@@H](CNC(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1)Oc1ccccc1Br ZINC000175628011 655224172 /nfs/dbraw/zinc/22/41/72/655224172.db2.gz ZGCKJOUHGFXXNW-KBPBESRZSA-N 1 0 396.329 3.000 20 0 GFADRO O[C@H](C[NH+]1CCC([C@H](O)c2ncc[nH]2)CC1)c1ccc(Br)cc1 ZINC000839577957 661093122 /nfs/dbraw/zinc/09/31/22/661093122.db2.gz OUEFBWCOSWBKFW-CVEARBPZSA-N 1 0 380.286 2.651 20 0 GFADRO CN(C[C@@H]1CCC[N@H+](C)C1)S(=O)(=O)c1cc(Br)ccc1F ZINC000115586168 655239526 /nfs/dbraw/zinc/23/95/26/655239526.db2.gz WDDXIPIYTODSDM-LLVKDONJSA-N 1 0 379.295 2.551 20 0 GFADRO CCn1nccc1[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)Cn1cc(Br)cn1 ZINC000275563563 655242036 /nfs/dbraw/zinc/24/20/36/655242036.db2.gz OABQFRYGZQOPJO-HEHGZKQESA-N 1 0 382.306 2.618 20 0 GFADRO COCCC[NH+]1CCC(NC(=O)CCc2ccc(Br)cc2)CC1 ZINC000176260405 655242203 /nfs/dbraw/zinc/24/22/03/655242203.db2.gz ZTLLWEWBAPBFAP-UHFFFAOYSA-N 1 0 383.330 2.999 20 0 GFADRO OCC[N@H+](Cc1nc(-c2ccc(Br)s2)no1)C1CCOCC1 ZINC000275611240 655244082 /nfs/dbraw/zinc/24/40/82/655244082.db2.gz SOKGOXWUZDYULX-UHFFFAOYSA-N 1 0 388.287 2.534 20 0 GFADRO CC1CC[NH+](C[C@@H](O)CNC(=O)CCc2cccc(Br)c2)CC1 ZINC000116448792 655247896 /nfs/dbraw/zinc/24/78/96/655247896.db2.gz WWFPSFRXHAMZFR-KRWDZBQOSA-N 1 0 383.330 2.591 20 0 GFADRO CSc1nnc(CNC(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)s1 ZINC000275718874 655248411 /nfs/dbraw/zinc/24/84/11/655248411.db2.gz VPYWKJAYCUAVMD-GFCCVEGCSA-N 1 0 381.527 2.879 20 0 GFADRO O=C(N[C@H]1CCc2cc(Br)ccc21)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000275762517 655250121 /nfs/dbraw/zinc/25/01/21/655250121.db2.gz XASGNANTGYGSCY-ZBFHGGJFSA-N 1 0 389.297 2.987 20 0 GFADRO CCOc1c(Br)cc(C[N@H+](CCO)C2CCOCC2)cc1OC ZINC000276039278 655259775 /nfs/dbraw/zinc/25/97/75/655259775.db2.gz SISHWLXHWLQPCD-UHFFFAOYSA-N 1 0 388.302 2.830 20 0 GFADRO CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1ccc(CS(=O)(=O)C(F)F)cc1 ZINC000176920186 655261301 /nfs/dbraw/zinc/26/13/01/655261301.db2.gz HODOEOBUVDPKTI-HNNXBMFYSA-N 1 0 376.469 2.530 20 0 GFADRO CC[C@H](Cc1cccc(Br)c1)C(=O)N[C@H](C)CN1CC[NH+](C)CC1 ZINC000117255017 655262395 /nfs/dbraw/zinc/26/23/95/655262395.db2.gz GMWXWSYUUCCKAH-NVXWUHKLSA-N 1 0 396.373 2.770 20 0 GFADRO CC[C@@H](Cc1cccc(Br)c1)C(=O)N[C@@H](C)CN1CC[NH+](C)CC1 ZINC000117255011 655262542 /nfs/dbraw/zinc/26/25/42/655262542.db2.gz GMWXWSYUUCCKAH-RDJZCZTQSA-N 1 0 396.373 2.770 20 0 GFADRO CSC1(CNC(=O)C(=O)c2ccc(Br)s2)CC[NH+](C)CC1 ZINC000839776916 661106225 /nfs/dbraw/zinc/10/62/25/661106225.db2.gz OEUHWTVYBAHIKU-UHFFFAOYSA-N 1 0 391.356 2.637 20 0 GFADRO Cc1cc(F)c(Br)cc1NC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000276391144 655273799 /nfs/dbraw/zinc/27/37/99/655273799.db2.gz BVPHLLNIWGTRRR-UKRRQHHQSA-N 1 0 398.276 2.578 20 0 GFADRO COC(=O)[C@]1(C)CC[N@@H+]([C@H](C)C(=O)N(C)Cc2ccc(Br)cc2)C1 ZINC000177422193 655276171 /nfs/dbraw/zinc/27/61/71/655276171.db2.gz XKUOKAATMJQNGF-FZKQIMNGSA-N 1 0 397.313 2.681 20 0 GFADRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)c2cc(=O)c3cc(Br)ccc3[nH]2)C1 ZINC000177503663 655278142 /nfs/dbraw/zinc/27/81/42/655278142.db2.gz XIAFVCBCCKJUAR-STQMWFEESA-N 1 0 392.297 2.893 20 0 GFADRO Cc1cc(NC(=O)C(=O)NC[C@H](C)C[NH+]2CCCCC2)ccc1Br ZINC000118896122 655283130 /nfs/dbraw/zinc/28/31/30/655283130.db2.gz DOHVEHREQXLAPI-ZDUSSCGKSA-N 1 0 396.329 2.934 20 0 GFADRO O=C(Cc1cccc(I)c1)NCCC[NH+]1CCCCC1 ZINC000177751010 655287480 /nfs/dbraw/zinc/28/74/80/655287480.db2.gz UUBXDOMZTJBGMB-UHFFFAOYSA-N 1 0 386.277 2.826 20 0 GFADRO C[C@@H](C[NH+]1CCC(C(=O)Nc2ccc(F)c(Cl)c2)CC1)CS(C)(=O)=O ZINC000119188774 655292312 /nfs/dbraw/zinc/29/23/12/655292312.db2.gz WYFZVUPQJANSCP-LBPRGKRZSA-N 1 0 390.908 2.810 20 0 GFADRO COC[C@@H](O)C[NH+]1CCC(c2nc(-c3ccccc3Br)no2)CC1 ZINC000276916637 655292941 /nfs/dbraw/zinc/29/29/41/655292941.db2.gz RBHILKJOLLSFGV-ZDUSSCGKSA-N 1 0 396.285 2.686 20 0 GFADRO C[C@H]([NH3+])[C@H](C)C(=O)N1CCC(C(=O)Nc2cccc(Br)c2)CC1 ZINC000276950879 655294614 /nfs/dbraw/zinc/29/46/14/655294614.db2.gz DSCORFTZJZVEPV-RYUDHWBXSA-N 1 0 382.302 2.610 20 0 GFADRO CNC(=O)c1ccc(C[NH2+]C[C@H](CO)Cc2cccc(Br)c2)cc1 ZINC000276951184 655294686 /nfs/dbraw/zinc/29/46/86/655294686.db2.gz BXVDWFDMAHSKIB-MRXNPFEDSA-N 1 0 391.309 2.750 20 0 GFADRO O=C(CCC(=O)c1cc(Cl)sc1Cl)NCCC[NH+]1CCC(O)CC1 ZINC000119280893 655296613 /nfs/dbraw/zinc/29/66/13/655296613.db2.gz IURSUMKMBYGVKM-UHFFFAOYSA-N 1 0 393.336 2.981 20 0 GFADRO C[NH+](C)[C@H]1CCCN(C(=O)Nc2ccncc2I)CC1 ZINC000277008068 655297941 /nfs/dbraw/zinc/29/79/41/655297941.db2.gz AKUIKQFDYFRFSU-NSHDSACASA-N 1 0 388.253 2.634 20 0 GFADRO Cc1ccc(NC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)c(Br)n1 ZINC000178380408 655301906 /nfs/dbraw/zinc/30/19/06/655301906.db2.gz LGUKTIWSHCHOPP-ZDUSSCGKSA-N 1 0 385.306 2.631 20 0 GFADRO O=C(Cc1cccc(I)c1)NC1CC[NH+](C2CC2)CC1 ZINC000119393418 655302462 /nfs/dbraw/zinc/30/24/62/655302462.db2.gz XOLGCDRZFMKOSZ-UHFFFAOYSA-N 1 0 384.261 2.577 20 0 GFADRO COc1cc([C@H](C)NCCC[NH+]2CCCC2)ccc1S(=O)(=O)C(F)F ZINC000178413467 655303132 /nfs/dbraw/zinc/30/31/32/655303132.db2.gz DYCSSOWOZQYPTD-ZDUSSCGKSA-N 1 0 376.469 2.828 20 0 GFADRO NC(=O)c1csc(C[NH2+]C[C@H](CO)Cc2ccccc2Br)c1 ZINC000277126515 655304561 /nfs/dbraw/zinc/30/45/61/655304561.db2.gz ZJZAUCWSOWMECT-LLVKDONJSA-N 1 0 383.311 2.550 20 0 GFADRO O=C(c1cc(Cl)cc(Br)c1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000178583759 655305112 /nfs/dbraw/zinc/30/51/12/655305112.db2.gz KQKHDRCBZLCKSG-GFCCVEGCSA-N 1 0 387.705 2.897 20 0 GFADRO CC[NH+]1CCC(NC(=O)C(=O)Nc2cc(C)c(Br)c(C)c2)CC1 ZINC000277180759 655306851 /nfs/dbraw/zinc/30/68/51/655306851.db2.gz HRXOGKHPAUYWQY-UHFFFAOYSA-N 1 0 382.302 2.605 20 0 GFADRO C[NH+](C)C1(C(=O)N2CCN(C(=O)c3c(Cl)cccc3Cl)CC2)CCC1 ZINC000119657597 655310675 /nfs/dbraw/zinc/31/06/75/655310675.db2.gz VBHBKGMMOXDXFV-UHFFFAOYSA-N 1 0 384.307 2.762 20 0 GFADRO C[N@H+](CCCO)C1CCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)CC1 ZINC000119683406 655310818 /nfs/dbraw/zinc/31/08/18/655310818.db2.gz YQLZMTGIHKUVGR-UHFFFAOYSA-N 1 0 395.352 2.602 20 0 GFADRO C[C@H]([C@@H](C)S(C)(=O)=O)[N@H+](C)CCC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000179683242 655315900 /nfs/dbraw/zinc/31/59/00/655315900.db2.gz OIVOBBWIGJRZTF-HUUCEWRRSA-N 1 0 376.563 2.777 20 0 GFADRO Cc1c(Br)cc(C(=O)NC[C@H]2CCC[N@@H+](CC(C)C)C2)c(=O)n1C ZINC000277380736 655315994 /nfs/dbraw/zinc/31/59/94/655315994.db2.gz IITGXIDMMRCCKR-CQSZACIVSA-N 1 0 398.345 2.554 20 0 GFADRO O=C(NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1cc(Cl)nc(Cl)c1 ZINC000119871830 655319257 /nfs/dbraw/zinc/31/92/57/655319257.db2.gz HDBVIHJVOITNNW-OAHLLOKOSA-N 1 0 380.275 2.537 20 0 GFADRO NC(=O)CCC1CC[NH+]([C@@H]2CCN(c3cccc(Br)c3)C2=O)CC1 ZINC000277436744 655319359 /nfs/dbraw/zinc/31/93/59/655319359.db2.gz JVRNQWOFDGEWPM-MRXNPFEDSA-N 1 0 394.313 2.532 20 0 GFADRO Cc1cccc(I)c1C(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000119920895 655321321 /nfs/dbraw/zinc/32/13/21/655321321.db2.gz FVNUSMYAWFJSAM-STQMWFEESA-N 1 0 384.261 2.908 20 0 GFADRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C1(c2ccc(Br)cc2)CCOCC1 ZINC000277510878 655323694 /nfs/dbraw/zinc/32/36/94/655323694.db2.gz KLURWEQULVBCTC-CJNGLKHVSA-N 1 0 381.314 2.612 20 0 GFADRO COC[C@H]([NH2+][C@H](C)C(=O)N(C)Cc1ccc(Br)cc1)[C@@H]1CCCO1 ZINC000278747296 655326120 /nfs/dbraw/zinc/32/61/20/655326120.db2.gz MDXLENZNWZYSFG-COXVUDFISA-N 1 0 399.329 2.580 20 0 GFADRO CCC[N@H+](CC)CCNS(=O)(=O)c1ccc(Br)c(C(C)=O)c1 ZINC000180371237 655326230 /nfs/dbraw/zinc/32/62/30/655326230.db2.gz GXJJDIUNBHQQHV-UHFFFAOYSA-N 1 0 391.331 2.662 20 0 GFADRO CCc1n[nH]c(C(=O)NCc2ccc(OCC[NH+](C)C)cc2)c1Br ZINC000279163595 655327247 /nfs/dbraw/zinc/32/72/47/655327247.db2.gz GLNHSPMDXPWRBE-UHFFFAOYSA-N 1 0 395.301 2.605 20 0 GFADRO Cc1cc(COc2ccc(C(=O)N[C@H]3CCC[NH2+]C3)cc2Br)on1 ZINC000120140672 655328992 /nfs/dbraw/zinc/32/89/92/655328992.db2.gz DZQIJNPDULPSQP-ZDUSSCGKSA-N 1 0 394.269 2.806 20 0 GFADRO C[C@@H]([NH2+]CCOCCS(C)(=O)=O)[C@@H](C)Oc1ccc(Cl)cc1Cl ZINC000181147189 655332959 /nfs/dbraw/zinc/33/29/59/655332959.db2.gz NZXISMWWDXPTLI-VXGBXAGGSA-N 1 0 384.325 2.800 20 0 GFADRO COCC[N@H+]1[C@H](C)CN(C(=O)Nc2ccc(Br)nc2C)C[C@@H]1C ZINC000181354687 655335823 /nfs/dbraw/zinc/33/58/23/655335823.db2.gz NPPBPYFSLRHNSS-TXEJJXNPSA-N 1 0 385.306 2.725 20 0 GFADRO CC(C)([NH2+]CN1CC2(CCOCC2)[C@@H](O)C1=O)c1ccc(Cl)c(Cl)c1 ZINC000839978883 661121802 /nfs/dbraw/zinc/12/18/02/661121802.db2.gz HPQUHDYMNHBGBI-HNNXBMFYSA-N 1 0 387.307 2.776 20 0 GFADRO Cc1nc2ccc(Br)cn2c1C(=O)N1CCC[C@@H]([NH+](C)C)CC1 ZINC000281818851 655338125 /nfs/dbraw/zinc/33/81/25/655338125.db2.gz LBSJAXQHBAZKLD-CQSZACIVSA-N 1 0 379.302 2.962 20 0 GFADRO O=C(CSCC(F)(F)F)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000120770457 655343600 /nfs/dbraw/zinc/34/36/00/655343600.db2.gz AGTBBOVOGQIJGB-UHFFFAOYSA-N 1 0 376.444 2.555 20 0 GFADRO C[NH+](C)C[C@@H]1CCN(CN2CC[C@@H](c3cccc(Br)c3)C2=O)C1 ZINC000840002093 661122914 /nfs/dbraw/zinc/12/29/14/661122914.db2.gz BCVPUUANVVDDBX-YOEHRIQHSA-N 1 0 380.330 2.606 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)CCn1cc(Br)ccc1=O)C1CCCCC1 ZINC000120899907 655346408 /nfs/dbraw/zinc/34/64/08/655346408.db2.gz VCGHZPJQCWVPBV-INIZCTEOSA-N 1 0 398.345 2.628 20 0 GFADRO CN(C)S(=O)(=O)c1cccc(C[NH2+][C@@H](c2cccs2)C(C)(C)CO)c1 ZINC000289357287 655347468 /nfs/dbraw/zinc/34/74/68/655347468.db2.gz NTHZRMLICYHXBH-KRWDZBQOSA-N 1 0 382.551 2.848 20 0 GFADRO CCCS(=O)(=O)N1CCC([NH2+]Cc2cc(F)ccc2Br)CC1 ZINC000121378095 655349304 /nfs/dbraw/zinc/34/93/04/655349304.db2.gz OESVLIPHHLGRKR-UHFFFAOYSA-N 1 0 393.322 2.882 20 0 GFADRO C[C@H]1C[C@@H](C(=O)N[C@@H]2CCN(c3cccc(Br)c3)C2)CC[N@@H+]1C ZINC000290555841 655349848 /nfs/dbraw/zinc/34/98/48/655349848.db2.gz XDSBBRVXTAYWTI-OFQRWUPVSA-N 1 0 380.330 2.874 20 0 GFADRO CC(C)[C@@H]1C[N@H+](C)CCN1CN1CC[C@H](c2cccc(Br)c2)C1=O ZINC000840007624 661124240 /nfs/dbraw/zinc/12/42/40/661124240.db2.gz PIQZPJIZVLTYRD-MSOLQXFVSA-N 1 0 394.357 2.995 20 0 GFADRO C[C@@H]1CN(C(=O)c2cc(I)c[nH]2)CC[N@@H+](C2CCC2)C1 ZINC000292524661 655352036 /nfs/dbraw/zinc/35/20/36/655352036.db2.gz ZABZSWLFXYVFQC-NSHDSACASA-N 1 0 387.265 2.566 20 0 GFADRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)NCCC2CC[NH+](C)CC2)c1 ZINC000183620928 655352623 /nfs/dbraw/zinc/35/26/23/655352623.db2.gz VXHGGRNPUCFYCJ-UHFFFAOYSA-N 1 0 375.878 2.567 20 0 GFADRO CC[NH+](CC)CCCNc1cnn(-c2ccccn2)c(=O)c1Br ZINC000292749386 655353991 /nfs/dbraw/zinc/35/39/91/655353991.db2.gz KCOWSTUXBKFIBT-UHFFFAOYSA-N 1 0 380.290 2.534 20 0 GFADRO OCC[N@@H+](Cc1ccc(Cl)c(Cl)c1)C[C@@H](O)COCC(F)(F)F ZINC000292805099 655354527 /nfs/dbraw/zinc/35/45/27/655354527.db2.gz BVNLTVUGLDFDDZ-LLVKDONJSA-N 1 0 376.202 2.728 20 0 GFADRO Cn1cc(Br)c(C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)n1 ZINC000292897225 655356448 /nfs/dbraw/zinc/35/64/48/655356448.db2.gz VURNXQGARBBMLG-AWEZNQCLSA-N 1 0 377.286 2.577 20 0 GFADRO CC[N@@H+]1CC[C@H]2OCCN(Cc3nc4cc(Br)ccc4o3)[C@H]2C1 ZINC000292939395 655357536 /nfs/dbraw/zinc/35/75/36/655357536.db2.gz BZDDVWLHRJABMG-GOEBONIOSA-N 1 0 380.286 2.885 20 0 GFADRO C[NH+](C)[C@H]1CCC[C@@H](Nc2cnn(-c3ccccn3)c(=O)c2Br)C1 ZINC000292947119 655357733 /nfs/dbraw/zinc/35/77/33/655357733.db2.gz BRVDKKBPQPMQAH-OLZOCXBDSA-N 1 0 392.301 2.675 20 0 GFADRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)c1nn(C)cc1Br ZINC000293049876 655358853 /nfs/dbraw/zinc/35/88/53/655358853.db2.gz ADXVHHWHGPFKPR-AWEZNQCLSA-N 1 0 391.313 2.919 20 0 GFADRO C[C@H]([NH2+]Cc1ccnc(Br)c1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000293787980 655362127 /nfs/dbraw/zinc/36/21/27/655362127.db2.gz MGMSREBVGUDKBA-LBPRGKRZSA-N 1 0 398.326 2.945 20 0 GFADRO O=C(CNC(=O)c1cccc(Br)c1)NCCCCC[NH+]1CCCC1 ZINC000293903871 655362293 /nfs/dbraw/zinc/36/22/93/655362293.db2.gz KNMYUHHVDXATJT-UHFFFAOYSA-N 1 0 396.329 2.561 20 0 GFADRO Cc1cnc([C@@H]([NH2+]C[C@@](C)(O)c2ccc(S(C)(=O)=O)cc2)C2CC2)s1 ZINC000185283422 655363508 /nfs/dbraw/zinc/36/35/08/655363508.db2.gz VAHCUGSSIVHTIR-FUHWJXTLSA-N 1 0 380.535 2.803 20 0 GFADRO C[C@](O)(C[N@@H+]1CC[C@](C)(C(N)=O)C1)c1ccc(Br)cc1Cl ZINC000293992735 655364166 /nfs/dbraw/zinc/36/41/66/655364166.db2.gz FNGINLCPMDPPHB-GJZGRUSLSA-N 1 0 375.694 2.507 20 0 GFADRO COC(=O)N1CCC([C@H](C)[NH2+]C[C@@H](O)c2ccccc2Br)CC1 ZINC000186414109 655369383 /nfs/dbraw/zinc/36/93/83/655369383.db2.gz LSFOSYSUNYMKLU-BLLLJJGKSA-N 1 0 385.302 2.939 20 0 GFADRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)CCOc1ccc(Cl)cc1Br ZINC000186723745 655371173 /nfs/dbraw/zinc/37/11/73/655371173.db2.gz GCZUBHOKRGZQRN-GWCFXTLKSA-N 1 0 375.694 2.986 20 0 GFADRO CN(C)CC[N@H+](C)CCCNC(=O)Nc1c(F)cc(F)cc1Br ZINC000297670958 655371205 /nfs/dbraw/zinc/37/12/05/655371205.db2.gz FPSVGIRDBIUFCX-UHFFFAOYSA-N 1 0 393.276 2.732 20 0 GFADRO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)c1nn(C)cc1Br ZINC000298211111 655373161 /nfs/dbraw/zinc/37/31/61/655373161.db2.gz YKGHCECDMTVCKQ-BBRMVZONSA-N 1 0 389.297 2.939 20 0 GFADRO Cn1ccnc1[C@@](O)(C[NH2+]Cc1cccc(Br)c1)C(F)(F)F ZINC000299359917 655374759 /nfs/dbraw/zinc/37/47/59/655374759.db2.gz UUCPKASYMKVUSV-ZDUSSCGKSA-N 1 0 378.192 2.722 20 0 GFADRO CCCC[N@H+](C)C[C@@H](C)NC(=O)C(=O)Nc1cc(Cl)c(N)c(Cl)c1 ZINC000299478397 655376559 /nfs/dbraw/zinc/37/65/59/655376559.db2.gz ZEEUYSUPYWLXHC-SNVBAGLBSA-N 1 0 375.300 2.751 20 0 GFADRO CCO[C@@H]1C[C@]([NH3+])(C(=O)NC[C@H](O)c2c(Cl)cccc2Cl)C1(C)C ZINC000187872488 655376958 /nfs/dbraw/zinc/37/69/58/655376958.db2.gz IEWIMPNPAIVNPG-AHIWAGSCSA-N 1 0 375.296 2.676 20 0 GFADRO COc1c(Br)cc(Cl)cc1S(=O)(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000320638102 655382283 /nfs/dbraw/zinc/38/22/83/655382283.db2.gz DBCXMEHYSTTWHJ-SFYZADRCSA-N 1 0 385.711 2.515 20 0 GFADRO Cc1nc(-c2ccc(Br)cc2)nn1CN1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC000840091053 661131626 /nfs/dbraw/zinc/13/16/26/661131626.db2.gz ZCLPUWPFRKMLEA-BETUJISGSA-N 1 0 378.318 2.998 20 0 GFADRO C[C@@H](CN1C(=O)[C@H](c2cccc(Br)c2)N(C)C1=O)[N@H+](C)C1CC1 ZINC000349379389 655389819 /nfs/dbraw/zinc/38/98/19/655389819.db2.gz WXZACZYYYSAJHT-NHYWBVRUSA-N 1 0 380.286 2.867 20 0 GFADRO CC[N@@H+]1CCCC[C@@H]1CN1C(=O)N[C@@H](c2ccc(Br)cc2)C1=O ZINC000349380543 655389812 /nfs/dbraw/zinc/38/98/12/655389812.db2.gz WZTWWRBRIVNYCR-CABCVRRESA-N 1 0 380.286 2.916 20 0 GFADRO CC[N@H+](CCN1C(=O)N[C@@H](c2ccc(OC)c(Br)c2)C1=O)C1CC1 ZINC000349434362 655390285 /nfs/dbraw/zinc/39/02/85/655390285.db2.gz XBKKZLVYVZZLDV-HNNXBMFYSA-N 1 0 396.285 2.535 20 0 GFADRO C[N@H+](CC1CCC2(CC1)OCCO2)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000190317112 655391203 /nfs/dbraw/zinc/39/12/03/655391203.db2.gz GGUICDBMRXJJND-INIZCTEOSA-N 1 0 397.313 2.841 20 0 GFADRO Cc1cccc(C[NH+]2CCC(NC(=O)c3cc(Br)nn3C)CC2)c1 ZINC000365228767 655392352 /nfs/dbraw/zinc/39/23/52/655392352.db2.gz UMECUBSRZHOKDQ-UHFFFAOYSA-N 1 0 391.313 2.885 20 0 GFADRO Cc1cc(C(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)nn1-c1ccc(Br)cc1 ZINC000365241791 655392706 /nfs/dbraw/zinc/39/27/06/655392706.db2.gz CYGOTVYFSPULOD-DYVFJYSZSA-N 1 0 389.297 2.767 20 0 GFADRO CN(C)C(=O)[C@@H]1CC[C@H](C[NH2+]C2CC(c3cccc(Br)c3)C2)O1 ZINC000365314707 655393234 /nfs/dbraw/zinc/39/32/34/655393234.db2.gz CNIMGVKGKFVSQT-BNICSPFPSA-N 1 0 381.314 2.921 20 0 GFADRO CC(C)(C)OC(=O)N1CCN(CC[NH2+]Cc2ccc(Br)o2)CC1 ZINC000190953730 655396111 /nfs/dbraw/zinc/39/61/11/655396111.db2.gz UPAMXWVOFVTNTH-UHFFFAOYSA-N 1 0 388.306 2.684 20 0 GFADRO C[C@@H](C(=O)Nc1ccc(Br)cc1)N1CCC[N@H+](CC(C)(C)O)CC1 ZINC000366679124 655400599 /nfs/dbraw/zinc/40/05/99/655400599.db2.gz MKTRYQBZOIONNY-AWEZNQCLSA-N 1 0 398.345 2.555 20 0 GFADRO O=C(NCC[C@H]1CC[NH2+]C1)N[C@H](CO)c1ccc(Cl)cc1C(F)(F)F ZINC000418331212 655405594 /nfs/dbraw/zinc/40/55/94/655405594.db2.gz DKFHZJJQAQHJBN-QMTHXVAHSA-N 1 0 379.810 2.691 20 0 GFADRO O=S(=O)(N1CCC([NH2+][C@H]2CCCNc3ccccc32)CC1)C(F)(F)F ZINC000192949230 655407650 /nfs/dbraw/zinc/40/76/50/655407650.db2.gz GYMFWZZEOMWZFN-HNNXBMFYSA-N 1 0 377.432 2.837 20 0 GFADRO C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)C(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000423083812 655407821 /nfs/dbraw/zinc/40/78/21/655407821.db2.gz HBUPIGRVXMTNHO-KPZWWZAWSA-N 1 0 384.307 2.867 20 0 GFADRO COCC(COC)[NH2+][C@@H](C)CCc1ccc(I)cc1 ZINC000449548201 655410235 /nfs/dbraw/zinc/41/02/35/655410235.db2.gz ZWUGAIPQWOSSSQ-LBPRGKRZSA-N 1 0 377.266 2.863 20 0 GFADRO CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2cc(Cl)cc(Br)c2)C1 ZINC000453609910 655411947 /nfs/dbraw/zinc/41/19/47/655411947.db2.gz XBCLBJROVWFZLZ-LBPRGKRZSA-N 1 0 388.693 2.642 20 0 GFADRO Cc1nc2ccc(Br)cn2c1C(=O)N1CC[NH+](CC(C)C)CC1 ZINC000474383482 655415750 /nfs/dbraw/zinc/41/57/50/655415750.db2.gz BZUYZVZVNONMRB-UHFFFAOYSA-N 1 0 379.302 2.819 20 0 GFADRO C[C@@H]1CCC[N@H+](CCNC(=O)c2ccc(I)c(F)c2)C1 ZINC000517820164 655418785 /nfs/dbraw/zinc/41/87/85/655418785.db2.gz DJLUCPFAGQNHON-LLVKDONJSA-N 1 0 390.240 2.892 20 0 GFADRO CC[C@H]([NH2+]C[C@@H]1CS(=O)(=O)CCO1)c1ccc(Br)cc1Cl ZINC000517843094 655418912 /nfs/dbraw/zinc/41/89/12/655418912.db2.gz VIEQHLLRQSRNAE-RISCZKNCSA-N 1 0 396.734 2.957 20 0 GFADRO C[C@@H](CNC(=O)/C=C\c1ccc(I)o1)C[NH+]1CCCC1 ZINC000221882802 655421978 /nfs/dbraw/zinc/42/19/78/655421978.db2.gz ZBMZGKSLBTWHNV-HWPRWLFBSA-N 1 0 388.249 2.746 20 0 GFADRO CC(C)(C)OC(=O)N1CCOC[C@H]1C[NH2+]Cc1cncc(Br)c1 ZINC000227706058 655422951 /nfs/dbraw/zinc/42/29/51/655422951.db2.gz QWCZKENXOLGALC-CQSZACIVSA-N 1 0 386.290 2.570 20 0 GFADRO C[C@@H]1CN(C(=O)NCCNc2ncc(C(F)(F)F)cc2Cl)CC[C@H]1[NH3+] ZINC000566057831 655424402 /nfs/dbraw/zinc/42/44/02/655424402.db2.gz ZHHDDOIKVYFMPG-BXKDBHETSA-N 1 0 379.814 2.544 20 0 GFADRO CC(=O)c1cc(S(=O)(=O)NCC2([NH3+])CCCCC2)ccc1Br ZINC000236653813 655424748 /nfs/dbraw/zinc/42/47/48/655424748.db2.gz BBSKVBDVJCEKDF-UHFFFAOYSA-N 1 0 389.315 2.592 20 0 GFADRO COc1ccc(Br)cc1C(=O)CCC(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000237110893 655425722 /nfs/dbraw/zinc/42/57/22/655425722.db2.gz CWIATMFTZSKTGK-GFCCVEGCSA-N 1 0 383.286 2.536 20 0 GFADRO C[C@@H]1C[NH2+]CCN1C(=O)Cc1csc(-c2cccc(Br)c2)n1 ZINC000237451127 655426251 /nfs/dbraw/zinc/42/62/51/655426251.db2.gz WMAUNLZZUQDPNH-LLVKDONJSA-N 1 0 380.311 2.935 20 0 GFADRO C[C@@H]1[C@H](NC(=O)c2cc[nH]c(=O)c2Br)CC[N@@H+]1Cc1ccccc1 ZINC000574233575 655426906 /nfs/dbraw/zinc/42/69/06/655426906.db2.gz ZIMFGXLVCQZYRL-IUODEOHRSA-N 1 0 390.281 2.943 20 0 GFADRO COc1ccc(Br)c(CNC(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000574297423 655428444 /nfs/dbraw/zinc/42/84/44/655428444.db2.gz WSBBFTASYDWBSK-OUCADQQQSA-N 1 0 382.302 2.645 20 0 GFADRO CCS(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@H](C)N2CCC[C@@H](C)C2)c1 ZINC000246323515 655429810 /nfs/dbraw/zinc/42/98/10/655429810.db2.gz HLXVYEGCCKLNMC-KGLIPLIRSA-N 1 0 386.945 2.984 20 0 GFADRO C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)[C@H]1CCN(c2cc(Cl)ccc2Cl)C1=O ZINC000574811191 655431187 /nfs/dbraw/zinc/43/11/87/655431187.db2.gz FQRMLCHWHQVTHM-MSIPSHCFSA-N 1 0 384.307 2.849 20 0 GFADRO O=C(Nc1cccc(C[N@H+]2CC[C@H](O)C2)c1)c1ncsc1Br ZINC000574821245 655431495 /nfs/dbraw/zinc/43/14/95/655431495.db2.gz BDAAPINQTYWYNG-LBPRGKRZSA-N 1 0 382.283 2.725 20 0 GFADRO C[C@@H]1CN(C(=O)N2CCO[C@H](c3ccc(Br)cc3)C2)C[C@@]1(C)C[NH3+] ZINC000574862179 655432256 /nfs/dbraw/zinc/43/22/56/655432256.db2.gz APLIHYSADGIDSP-RPVQJOFSSA-N 1 0 396.329 2.859 20 0 GFADRO CCCNC(=O)[C@H]1CCC[N@H+](C[C@@H](O)c2ccc(F)c(Br)c2)C1 ZINC000248556661 655432697 /nfs/dbraw/zinc/43/26/97/655432697.db2.gz KZICMWHRKKOEPS-XJKSGUPXSA-N 1 0 387.293 2.860 20 0 GFADRO COc1cc(C)ccc1C[NH2+]C[C@H]1CCN(S(=O)(=O)c2cccs2)C1 ZINC000574876111 655432709 /nfs/dbraw/zinc/43/27/09/655432709.db2.gz ZOEGVOGIUWJDPO-OAHLLOKOSA-N 1 0 380.535 2.866 20 0 GFADRO O[C@H](C[NH2+][C@@H]1CCCC12CC2)COc1ccc(I)cc1 ZINC000575073041 655435112 /nfs/dbraw/zinc/43/51/12/655435112.db2.gz OVNSEQAVZTXWMM-UKRRQHHQSA-N 1 0 387.261 2.953 20 0 GFADRO Cc1sc(Br)cc1S(=O)(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000252861839 655435209 /nfs/dbraw/zinc/43/52/09/655435209.db2.gz NQUIIGRUYVGIEN-DCAQKATOSA-N 1 0 379.345 2.567 20 0 GFADRO CCc1ccc([C@@H](CNC(=O)NCc2n[nH]cc2Br)[NH+](C)C)cc1 ZINC000575096529 655435562 /nfs/dbraw/zinc/43/55/62/655435562.db2.gz VTQXDSYPRHTBIN-MRXNPFEDSA-N 1 0 394.317 2.837 20 0 GFADRO Cc1c(Br)cccc1C[C@H](CO)C[NH2+]C[C@H](O)CC(F)(F)F ZINC000575180809 655436948 /nfs/dbraw/zinc/43/69/48/655436948.db2.gz DFOSDNBYGGYYBI-WCQYABFASA-N 1 0 384.236 2.811 20 0 GFADRO Cc1ccccc1[C@@H]([NH3+])C(=O)N1CCC(n2cc(Br)cn2)CC1 ZINC000575865723 655438960 /nfs/dbraw/zinc/43/89/60/655438960.db2.gz PXPSPESCIGCZCO-MRXNPFEDSA-N 1 0 377.286 2.818 20 0 GFADRO CCOC(=O)CC[C@@H](C)[NH2+]CCS(=O)(=O)c1cccc(Br)c1 ZINC000575916622 655440017 /nfs/dbraw/zinc/44/00/17/655440017.db2.gz SDMRKGLNGIDTHN-GFCCVEGCSA-N 1 0 392.315 2.544 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)/C=C\c2ccc(I)o2)C[N@@H+]1C1CC1 ZINC000255863150 655440596 /nfs/dbraw/zinc/44/05/96/655440596.db2.gz XCNBHYWNVFOAEC-BHQLTRLXSA-N 1 0 386.233 2.639 20 0 GFADRO O=C(/C=C\c1ccc(I)o1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000255906386 655440926 /nfs/dbraw/zinc/44/09/26/655440926.db2.gz ORHCXVKDMBYTHT-RNZFLTOJSA-N 1 0 386.233 2.594 20 0 GFADRO COCCN(Cc1sccc1Br)C(=O)CC[C@@H]1CC[NH2+]C1 ZINC000575986665 655441695 /nfs/dbraw/zinc/44/16/95/655441695.db2.gz LIOUGJCVIWJYMQ-GFCCVEGCSA-N 1 0 375.332 2.875 20 0 GFADRO [NH3+][C@H](CNC(=O)c1nn(-c2cccc(Br)c2)c2c1CCC2)C1CC1 ZINC000261913638 655442836 /nfs/dbraw/zinc/44/28/36/655442836.db2.gz HHYMCJLEEMBKLI-OAHLLOKOSA-N 1 0 389.297 2.591 20 0 GFADRO CCOC(=O)COc1c(Br)cc(C)cc1CN1CCC[C@@H]([NH2+]C)C1 ZINC000261994361 655443366 /nfs/dbraw/zinc/44/33/66/655443366.db2.gz KPQICKXCFZBGCV-OAHLLOKOSA-N 1 0 399.329 2.883 20 0 GFADRO CC(=O)NCc1ccc(-c2nc(NC(=O)[C@]34C[C@H]3CC[NH2+]4)sc2C)s1 ZINC000576099431 655443368 /nfs/dbraw/zinc/44/33/68/655443368.db2.gz NIBSOQKMIKMKSA-DIFFPNOSSA-N 1 0 376.507 2.507 20 0 GFADRO CN1CCN(Cc2csc(-c3cccc(Br)c3)n2)[C@@H](C[NH3+])C1 ZINC000576107885 655443477 /nfs/dbraw/zinc/44/34/77/655443477.db2.gz CKNRRXYXABGFKX-HNNXBMFYSA-N 1 0 381.343 2.647 20 0 GFADRO O=C(NCCOc1ncc(Cl)cc1Cl)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000576569680 655449060 /nfs/dbraw/zinc/44/90/60/655449060.db2.gz VZQGSNVUEDEPKS-ZDUSSCGKSA-N 1 0 387.311 2.798 20 0 GFADRO CC[NH+](CC)CCS(=O)(=O)NCc1ccc(Br)cc1Cl ZINC000576744932 655452188 /nfs/dbraw/zinc/45/21/88/655452188.db2.gz DRFPRYVGLWSFPT-UHFFFAOYSA-N 1 0 383.739 2.864 20 0 GFADRO Cc1cc(Br)cc(C)c1C[NH2+]C[C@H](O)CN1C[C@H](C)O[C@@H](C)C1 ZINC000576980008 655455860 /nfs/dbraw/zinc/45/58/60/655455860.db2.gz MMGJQHJKFKTMQW-ZOBUZTSGSA-N 1 0 385.346 2.626 20 0 GFADRO COC(=O)c1ccc(Cl)cc1S(=O)(=O)N(C)C1CC[NH+](C(C)C)CC1 ZINC000264143864 655457923 /nfs/dbraw/zinc/45/79/23/655457923.db2.gz UYBZGJBTLGMCSF-UHFFFAOYSA-N 1 0 388.917 2.620 20 0 GFADRO COC[C@]1(CNC(=O)c2cc(C)c(Br)c(Cl)c2)CCC[NH2+]1 ZINC000577382433 655458359 /nfs/dbraw/zinc/45/83/59/655458359.db2.gz DQJSDNPIJYSABB-OAHLLOKOSA-N 1 0 375.694 2.909 20 0 GFADRO O=C(Cc1cccc(Br)c1)NCC1([NH+]2CCCC2)CCOCC1 ZINC000264321900 655460946 /nfs/dbraw/zinc/46/09/46/655460946.db2.gz VNARJLYIDFSHKX-UHFFFAOYSA-N 1 0 381.314 2.753 20 0 GFADRO O=C(NCC1([NH+]2CCCC2)CCOCC1)c1cc(F)cc(Br)c1 ZINC000264348368 655461573 /nfs/dbraw/zinc/46/15/73/655461573.db2.gz ZHFTYAJEMVDBBP-UHFFFAOYSA-N 1 0 385.277 2.963 20 0 GFADRO Fc1cc(Br)cc(OCC[N@@H+]2CCC[C@@H](N3CCOCC3)C2)c1 ZINC000577623724 655463204 /nfs/dbraw/zinc/46/32/04/655463204.db2.gz YSIIGZANGZLDGI-MRXNPFEDSA-N 1 0 387.293 2.764 20 0 GFADRO CCOc1ccc(Br)cc1C[N@H+](C[C@@](C)(O)C(=O)OC)C1CC1 ZINC000577655742 655463960 /nfs/dbraw/zinc/46/39/60/655463960.db2.gz WVXBRULXXZTUNV-QGZVFWFLSA-N 1 0 386.286 2.736 20 0 GFADRO [NH3+][C@@H]1CCO[C@H](C2CCN(CC(=O)Nc3ccccc3Br)CC2)C1 ZINC000577714994 655465550 /nfs/dbraw/zinc/46/55/50/655465550.db2.gz UKHIKFOLAPGSIC-PBHICJAKSA-N 1 0 396.329 2.606 20 0 GFADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1Cl ZINC000264723646 655469082 /nfs/dbraw/zinc/46/90/82/655469082.db2.gz GVQYMFIOGFXWIQ-NFAWXSAZSA-N 1 0 384.307 2.553 20 0 GFADRO Cc1ccc(Cl)c(OC[C@@H](O)C[NH2+]C[C@H]2CCN(CC(F)(F)F)C2)c1 ZINC000577947685 655469960 /nfs/dbraw/zinc/46/99/60/655469960.db2.gz TXONNPOYCMVTJJ-KGLIPLIRSA-N 1 0 380.838 2.862 20 0 GFADRO CC[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)NCCC[NH2+]C(C)C ZINC000578122544 655472941 /nfs/dbraw/zinc/47/29/41/655472941.db2.gz CUNCPQFQKUKLQZ-OAHLLOKOSA-N 1 0 388.339 2.935 20 0 GFADRO C[NH2+][C@H](C)Cc1noc(-c2ncc(Br)cc2Br)n1 ZINC000578131715 655473257 /nfs/dbraw/zinc/47/32/57/655473257.db2.gz QEFWPIRIUIOFLN-ZCFIWIBFSA-N 1 0 376.052 2.807 20 0 GFADRO CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CCC(Sc2ccc(Cl)cc2)CC1 ZINC000578194237 655473845 /nfs/dbraw/zinc/47/38/45/655473845.db2.gz PINYNAMXZSIDRZ-KRWDZBQOSA-N 1 0 383.945 2.523 20 0 GFADRO O[C@H](C[NH2+]C[C@@H]1CCCCN1C1CC1)COc1ccc(Br)cc1 ZINC000578233042 655474617 /nfs/dbraw/zinc/47/46/17/655474617.db2.gz YFWHGRFDBFWEIU-DLBZAZTESA-N 1 0 383.330 2.795 20 0 GFADRO O[C@H](C[NH2+]C[C@H]1CCCCN1C1CC1)COc1ccc(Br)cc1 ZINC000578233043 655474733 /nfs/dbraw/zinc/47/47/33/655474733.db2.gz YFWHGRFDBFWEIU-IAGOWNOFSA-N 1 0 383.330 2.795 20 0 GFADRO CC(C)(C)[C@@H](C[NH3+])NC(=O)CCC[S@](=O)c1ccc(Br)cc1 ZINC000578497999 655480484 /nfs/dbraw/zinc/48/04/84/655480484.db2.gz WOWPTDQAMWTJAK-PEBXRYMYSA-N 1 0 389.359 2.827 20 0 GFADRO CCOC(=O)CC[C@H](O)C[NH2+][C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1 ZINC000578500084 655480612 /nfs/dbraw/zinc/48/06/12/655480612.db2.gz LHPXECAABRIGKO-OCCSQVGLSA-N 1 0 375.296 2.866 20 0 GFADRO C[C@@]([NH3+])(C(=O)NCCCOCC1CCOCC1)c1ccc(Br)cc1 ZINC000578528720 655481102 /nfs/dbraw/zinc/48/11/02/655481102.db2.gz OTIQRFNUCDBJGG-SFHVURJKSA-N 1 0 399.329 2.573 20 0 GFADRO C[NH+](C)CCCCNC(=O)CCC[S@](=O)c1ccc(Br)cc1 ZINC000265356299 655481809 /nfs/dbraw/zinc/48/18/09/655481809.db2.gz LEPKAAWHJOAURU-QFIPXVFZSA-N 1 0 389.359 2.795 20 0 GFADRO CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+]C[C@@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000578619193 655483140 /nfs/dbraw/zinc/48/31/40/655483140.db2.gz DXPYDXKHXLIJHS-BFHYXJOUSA-N 1 0 396.336 2.679 20 0 GFADRO COc1cccc(NC(=O)CC[N@H+](C)CCn2cc(Br)cn2)c1 ZINC000578673620 655484445 /nfs/dbraw/zinc/48/44/45/655484445.db2.gz FNEURBAFNVHBBM-UHFFFAOYSA-N 1 0 381.274 2.615 20 0 GFADRO C[N@H+](CCCO)C1CCN(CCC(=O)Nc2cccc(Br)c2)CC1 ZINC000265511989 655484865 /nfs/dbraw/zinc/48/48/65/655484865.db2.gz PRKIESPKEGLAAX-UHFFFAOYSA-N 1 0 398.345 2.556 20 0 GFADRO O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccc(Br)c(F)c1 ZINC000265595326 655486690 /nfs/dbraw/zinc/48/66/90/655486690.db2.gz YTFHEVXYWMXMNM-LBPRGKRZSA-N 1 0 385.277 2.819 20 0 GFADRO O=C(N[C@H]1CC[NH2+]C1)N(Cc1cccc(Br)c1)C1CCOCC1 ZINC000578788069 655486966 /nfs/dbraw/zinc/48/69/66/655486966.db2.gz KDEAECLEVUIWPJ-HNNXBMFYSA-N 1 0 382.302 2.502 20 0 GFADRO C[C@H](CNC(=O)C(=O)Nc1cccc(Br)c1Cl)[NH+]1CCCC1 ZINC000578912898 655489065 /nfs/dbraw/zinc/48/90/65/655489065.db2.gz QRWITYYBWNQGLV-SNVBAGLBSA-N 1 0 388.693 2.642 20 0 GFADRO CC1CC[NH+](CCNC(=O)N(C)C[C@H](O)c2cccc(Br)c2)CC1 ZINC000840253381 661149656 /nfs/dbraw/zinc/14/96/56/661149656.db2.gz MNSVMPNKKXFYLJ-KRWDZBQOSA-N 1 0 398.345 2.856 20 0 GFADRO C[C@H]1C[C@H](N(C)C(=O)c2cc(F)ccc2I)CC[N@@H+]1C ZINC000265997421 655494729 /nfs/dbraw/zinc/49/47/29/655494729.db2.gz OBOTXKLNJKOXSQ-CMPLNLGQSA-N 1 0 390.240 2.985 20 0 GFADRO CC(C)[N@H+](C)C[C@H](C)NC(=O)c1cc(=O)c2cc(Br)ccc2[nH]1 ZINC000579188599 655495718 /nfs/dbraw/zinc/49/57/18/655495718.db2.gz KNBUJAMQXSYACW-NSHDSACASA-N 1 0 380.286 2.749 20 0 GFADRO C[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCC[C@H]1c1ccccc1I ZINC000579232860 655496239 /nfs/dbraw/zinc/49/62/39/655496239.db2.gz ILZZZZPJHSYVOH-ZOWXZIJZSA-N 1 0 384.261 2.953 20 0 GFADRO CN(C[C@H](O)c1cccc(Br)c1)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000840257058 661150170 /nfs/dbraw/zinc/15/01/70/661150170.db2.gz WTGDLMXRPBEMJW-ZACQAIPSSA-N 1 0 396.329 2.751 20 0 GFADRO C[NH2+]C[C@H]1CCCN1C(=O)Nc1ccc(I)cc1F ZINC000579376722 655498640 /nfs/dbraw/zinc/49/86/40/655498640.db2.gz BZORCTGAGRZISU-SNVBAGLBSA-N 1 0 377.201 2.646 20 0 GFADRO CC[C@H]1C[N@H+](C)CCN1Cc1csc(-c2ccc(S(C)(=O)=O)cc2)n1 ZINC000579579100 655501646 /nfs/dbraw/zinc/50/16/46/655501646.db2.gz HXSLQLWCKOMNEQ-INIZCTEOSA-N 1 0 379.551 2.740 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1CN1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000579592452 655501916 /nfs/dbraw/zinc/50/19/16/655501916.db2.gz UKZFTAQOLSGHJV-HUUCEWRRSA-N 1 0 375.314 2.985 20 0 GFADRO O=C(Cc1csc(-c2ccc(Cl)s2)n1)NC[C@@]1(O)C[NH+]2CCC1CC2 ZINC000579744295 655503505 /nfs/dbraw/zinc/50/35/05/655503505.db2.gz ZEDQDWZWLJEVOY-QGZVFWFLSA-N 1 0 397.953 2.640 20 0 GFADRO O[C@@H]1C[C@H]([C@@H]2CCCOC2)[N@H+](Cc2nc3ccc(Br)cc3o2)C1 ZINC000579798639 655504193 /nfs/dbraw/zinc/50/41/93/655504193.db2.gz ZPAMPZVFMHKFRH-UXIGCNINSA-N 1 0 381.270 2.952 20 0 GFADRO COc1cc(I)c(Cl)cc1C(=O)NCC1([NH3+])CCC1 ZINC000579953885 655506217 /nfs/dbraw/zinc/50/62/17/655506217.db2.gz QVFGXRSLBKMLKB-UHFFFAOYSA-N 1 0 394.640 2.564 20 0 GFADRO O[C@H](CCc1ccccc1)C[NH2+]C[C@H](O)COc1cccc(Br)c1 ZINC000579958762 655506202 /nfs/dbraw/zinc/50/62/02/655506202.db2.gz RYWWJFGECKZNQS-MSOLQXFVSA-N 1 0 394.309 2.772 20 0 GFADRO [NH3+]CC[C@H]1CCCCN1C(=O)c1ccc(-n2cc(Br)cn2)cc1 ZINC000580063865 655507580 /nfs/dbraw/zinc/50/75/80/655507580.db2.gz XYVJXZBDUCGRBN-OAHLLOKOSA-N 1 0 377.286 2.978 20 0 GFADRO Cc1cccc(S(=O)(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1Br ZINC000580073588 655507927 /nfs/dbraw/zinc/50/79/27/655507927.db2.gz PJYKDFYCUXZYIX-ZIAGYGMSSA-N 1 0 387.343 2.768 20 0 GFADRO CCC[NH2+][C@@H](C)C(=O)N1C[C@H](C(=O)OC)[C@@H](c2ccc(Br)cc2)C1 ZINC000580071372 655507948 /nfs/dbraw/zinc/50/79/48/655507948.db2.gz TULGSPLDLVOXOC-MAZHCROVSA-N 1 0 397.313 2.552 20 0 GFADRO Cc1sc(Br)cc1S(=O)(=O)N1CCC([NH+]2CCC2)CC1 ZINC000700415439 655521511 /nfs/dbraw/zinc/52/15/11/655521511.db2.gz SQJBXPCLYXOZSL-UHFFFAOYSA-N 1 0 379.345 2.678 20 0 GFADRO Cn1cc(C[NH2+]C[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)C2)c(Br)n1 ZINC000712458760 655522661 /nfs/dbraw/zinc/52/26/61/655522661.db2.gz HJKIGQRNJFMJST-YPMHNXCESA-N 1 0 387.322 2.966 20 0 GFADRO C[C@H](NC(=O)c1ccc(F)cc1I)C1CC[NH2+]CC1 ZINC000716613000 655523841 /nfs/dbraw/zinc/52/38/41/655523841.db2.gz ZOBOXXPZHQLYOH-VIFPVBQESA-N 1 0 376.213 2.548 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)c2ccccc2I)C[C@H]1C(F)(F)F ZINC000720818550 655524789 /nfs/dbraw/zinc/52/47/89/655524789.db2.gz VZZACZGBKRGQTM-PSASIEDQSA-N 1 0 398.166 2.500 20 0 GFADRO C[NH+](C)[C@@H](CNS(=O)(=O)c1ccc(Cl)nc1Cl)Cc1ccccc1 ZINC000725818618 655526702 /nfs/dbraw/zinc/52/67/02/655526702.db2.gz RYXHMRCHBQHRJX-CYBMUJFWSA-N 1 0 388.320 2.840 20 0 GFADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1cc2c(cc(Br)cc2F)[nH]1 ZINC000725896637 655528392 /nfs/dbraw/zinc/52/83/92/655528392.db2.gz MRRYQNRZHICZHJ-VXGBXAGGSA-N 1 0 396.260 2.663 20 0 GFADRO C[C@H](CC[NH+](C)C)NC(=O)N1CCO[C@@H](c2ccccc2Br)C1 ZINC000726245880 655532499 /nfs/dbraw/zinc/53/24/99/655532499.db2.gz CDBDFWLXTSZGTH-CZUORRHYSA-N 1 0 384.318 2.872 20 0 GFADRO O[C@H](COc1ccc(Cl)c(Cl)c1)C[NH+]1CCC(C2OCCO2)CC1 ZINC000726844405 655539108 /nfs/dbraw/zinc/53/91/08/655539108.db2.gz PBVGBPZTGORDOB-ZDUSSCGKSA-N 1 0 376.280 2.818 20 0 GFADRO C[NH+](C)CC(C)(C)CNC(=S)N1CCN(Cc2cccc(Cl)c2)CC1 ZINC000727068811 655541137 /nfs/dbraw/zinc/54/11/37/655541137.db2.gz KXJSZZZMCVZRTB-UHFFFAOYSA-N 1 0 383.005 2.920 20 0 GFADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1c[nH]c2ccc(Br)cc12 ZINC000728210520 655553863 /nfs/dbraw/zinc/55/38/63/655553863.db2.gz ICIVVVIHRQRQCK-STQMWFEESA-N 1 0 378.270 2.523 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CNC(=S)Nc1cccc(CSCC(=O)OC)c1 ZINC000728454329 655555635 /nfs/dbraw/zinc/55/56/35/655555635.db2.gz URBWURVHXJIHOV-MRXNPFEDSA-N 1 0 381.567 2.864 20 0 GFADRO O=S(=O)(c1c(Cl)nc2sccn21)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000728587625 655557544 /nfs/dbraw/zinc/55/75/44/655557544.db2.gz ARLBYQWGUKHAEX-GFCCVEGCSA-N 1 0 388.946 2.688 20 0 GFADRO C[Si](C)(C)C[NH+]1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1 ZINC000729267076 655563699 /nfs/dbraw/zinc/56/36/99/655563699.db2.gz IYIPFWDZQPWQMU-UHFFFAOYSA-N 1 0 376.964 2.885 20 0 GFADRO COCC[N@@H+]1CCC[C@@H](NC(=O)/C=C/c2ccc(C)cc2Br)C1 ZINC000729984258 655570793 /nfs/dbraw/zinc/57/07/93/655570793.db2.gz YKYAHESLZVJZAH-KXPUMZMLSA-N 1 0 381.314 2.998 20 0 GFADRO Cc1ccc(/C=C/C(=O)N[C@H](C)CN2CC[NH+](C)CC2)c(Br)c1 ZINC000730227308 655572573 /nfs/dbraw/zinc/57/25/73/655572573.db2.gz BJQKVJJNEAAHFL-LQYUOIDQSA-N 1 0 380.330 2.523 20 0 GFADRO CC[NH+](CC)[C@H](C)CNS(=O)(=O)c1cc(Br)cc(F)c1OC ZINC000730809988 655578169 /nfs/dbraw/zinc/57/81/69/655578169.db2.gz VACFAZDQOGUIRW-SNVBAGLBSA-N 1 0 397.310 2.605 20 0 GFADRO C[NH+](C)[C@@H]1Cc2ccccc2N(C(=O)CCn2cc(Br)cn2)C1 ZINC000731465690 655583799 /nfs/dbraw/zinc/58/37/99/655583799.db2.gz LUJNDQXGTXOGPF-OAHLLOKOSA-N 1 0 377.286 2.555 20 0 GFADRO CC[C@H](C)C[N@H+](C)CN1C(=O)C(=O)N(c2ccc(Br)cc2)C1=O ZINC000732182182 655592625 /nfs/dbraw/zinc/59/26/25/655592625.db2.gz FDBQLTDWYHEKQT-NSHDSACASA-N 1 0 382.258 2.680 20 0 GFADRO CN([C@@H]1CC[N@@H+](C2CC2)C1)S(=O)(=O)/C=C/c1ccc(Br)cc1 ZINC000732226752 655593536 /nfs/dbraw/zinc/59/35/36/655593536.db2.gz OXTNJECTNNBNBG-PXUDHTSWSA-N 1 0 385.327 2.918 20 0 GFADRO CN(C(=O)/C=C\c1ccc(Br)o1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000732564162 655598055 /nfs/dbraw/zinc/59/80/55/655598055.db2.gz OZHSBHXZLLRIRL-VOKGJARPSA-N 1 0 396.329 2.682 20 0 GFADRO COc1ccc(NC(=S)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)cc1Cl ZINC000734308888 655629097 /nfs/dbraw/zinc/62/90/97/655629097.db2.gz KADRSHYWSPEGHQ-HNNXBMFYSA-N 1 0 382.961 2.757 20 0 GFADRO C[NH+](C)CC[C@@H](NC(=O)CN1C(=S)N=NC1c1cccs1)C(C)(C)C ZINC000734823315 655634916 /nfs/dbraw/zinc/63/49/16/655634916.db2.gz ANCBVBJZLUSWLY-CYBMUJFWSA-N 1 0 381.571 2.778 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CNC(=S)NC[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000735625722 655650240 /nfs/dbraw/zinc/65/02/40/655650240.db2.gz IPRYHBXTKXGJAV-GJZGRUSLSA-N 1 0 376.353 2.975 20 0 GFADRO C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)Nc2cccc(C3SCCS3)c2)C1 ZINC000735887224 655654726 /nfs/dbraw/zinc/65/47/26/655654726.db2.gz PUGPVGMYTZSWPG-ZDUSSCGKSA-N 1 0 379.551 2.562 20 0 GFADRO CC(C)[NH+]1CCC(NC(=O)COC(=O)c2ccc(Br)s2)CC1 ZINC000735960593 655656171 /nfs/dbraw/zinc/65/61/71/655656171.db2.gz LCIBLUNXGYDRIM-UHFFFAOYSA-N 1 0 389.315 2.656 20 0 GFADRO COc1cc(C[NH2+][C@@H](CCO)C2CC2)cc(I)c1OC ZINC000741258560 655704431 /nfs/dbraw/zinc/70/44/31/655704431.db2.gz OPPDDNYZAIYGSL-ZDUSSCGKSA-N 1 0 391.249 2.559 20 0 GFADRO CN(CCCC[NH+](C)C)C(=O)/C=C/c1ccc(I)o1 ZINC000742178359 655711131 /nfs/dbraw/zinc/71/11/31/655711131.db2.gz HVZBYPOIFQGVTM-VQHVLOKHSA-N 1 0 376.238 2.698 20 0 GFADRO CCC[NH+]1CCC(N(C)C(=O)COc2ccc(C=O)cc2Br)CC1 ZINC000742571885 655719376 /nfs/dbraw/zinc/71/93/76/655719376.db2.gz YRBSBPWWCVFSKN-UHFFFAOYSA-N 1 0 397.313 2.973 20 0 GFADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)COc1ccc(C=O)cc1Br ZINC000742680842 655720199 /nfs/dbraw/zinc/72/01/99/655720199.db2.gz BGVFCYFUSSCPNZ-AWEZNQCLSA-N 1 0 383.286 2.631 20 0 GFADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2sccc2S(=O)(=O)C(F)F)C1 ZINC000742880694 655723169 /nfs/dbraw/zinc/72/31/69/655723169.db2.gz OPSTYKSLFWJOBA-NSHDSACASA-N 1 0 380.482 2.548 20 0 GFADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=S)N[C@@H](C)c1ccc(Br)cc1 ZINC000840728264 661179389 /nfs/dbraw/zinc/17/93/89/661179389.db2.gz VHYHURCRFSLPAM-KBPBESRZSA-N 1 0 399.402 2.610 20 0 GFADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)N[C@@H]1COc2c1ccc(Cl)c2Cl ZINC000743682080 655730846 /nfs/dbraw/zinc/73/08/46/655730846.db2.gz FPLJPBBZEMJGMJ-MISXGVKJSA-N 1 0 386.279 2.589 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ccccc2SC(F)(F)F)CC[N@@H+]1C ZINC000743930770 655732724 /nfs/dbraw/zinc/73/27/24/655732724.db2.gz ISBMWZKQBKWLRT-MNOVXSKESA-N 1 0 375.416 2.836 20 0 GFADRO C[C@H]1C[C@@H](NC(=O)C(=O)Nc2cccc(C3SCCS3)c2)CC[N@@H+]1C ZINC000743932913 655732882 /nfs/dbraw/zinc/73/28/82/655732882.db2.gz YKMISDYUQIIFNV-WFASDCNBSA-N 1 0 379.551 2.703 20 0 GFADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@@H]1CC[C@@H]2SCCS[C@@H]12 ZINC000840732588 661180614 /nfs/dbraw/zinc/18/06/14/661180614.db2.gz FHCZHLPHZQBEBJ-PBOSXPJTSA-N 1 0 389.384 2.969 20 0 GFADRO C[C@@H]1C[N@@H+](CCC(=O)Nc2sc3c(c2C(N)=O)CCCC3)C[C@H](C)S1 ZINC000744414102 655739922 /nfs/dbraw/zinc/73/99/22/655739922.db2.gz VQLHTTBRAGULNZ-TXEJJXNPSA-N 1 0 381.567 2.880 20 0 GFADRO O=C(c1ccc(Br)nc1)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000746614766 655765048 /nfs/dbraw/zinc/76/50/48/655765048.db2.gz CLULVROEZVGZJA-UHFFFAOYSA-N 1 0 382.302 2.561 20 0 GFADRO C[C@H](Sc1ccc(Br)cc1)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000747228909 655774368 /nfs/dbraw/zinc/77/43/68/655774368.db2.gz GVMJKLXJGBYNDH-CFVMTHIKSA-N 1 0 399.354 2.909 20 0 GFADRO COC(=O)c1cc(S(=O)(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)c(Cl)cc1Cl ZINC000747280260 655776032 /nfs/dbraw/zinc/77/60/32/655776032.db2.gz XIJCCJJIGMOCRO-UWVGGRQHSA-N 1 0 395.308 2.541 20 0 GFADRO CC[NH+](CC)CCO[C@@H]1CCN(S(=O)(=O)c2ccc(Cl)nc2Cl)C1 ZINC000747286143 655776317 /nfs/dbraw/zinc/77/63/17/655776317.db2.gz SMRQVDOSHGQSPZ-GFCCVEGCSA-N 1 0 396.340 2.510 20 0 GFADRO COC(=O)CCCNC(=S)NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000747726631 655782502 /nfs/dbraw/zinc/78/25/02/655782502.db2.gz ZBDWJIYJWRYGPS-HNNXBMFYSA-N 1 0 383.583 2.938 20 0 GFADRO OCCC[N@@H+]1CCC[C@H]1CNC(=S)Nc1ccc(OC(F)(F)F)cc1 ZINC000840776414 661186515 /nfs/dbraw/zinc/18/65/15/661186515.db2.gz MQWRTOYUGUCDFV-ZDUSSCGKSA-N 1 0 377.432 2.718 20 0 GFADRO C[NH+](C)[C@@]1(CNC(=S)Nc2ccc3c(c2)OC(F)(F)O3)CCSC1 ZINC000748603142 655792755 /nfs/dbraw/zinc/79/27/55/655792755.db2.gz SONJKNVGLOIHMP-CQSZACIVSA-N 1 0 375.466 2.732 20 0 GFADRO CC1(C)CC(=O)N(C[NH2+]C2(c3cccc(Br)c3)CCOCC2)C1=O ZINC000748792212 655795283 /nfs/dbraw/zinc/79/52/83/655795283.db2.gz ZHCSHJPFNIKZLC-UHFFFAOYSA-N 1 0 395.297 2.787 20 0 GFADRO CCc1c(Cl)nc(CS(C)(=O)=O)nc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000749099110 655800222 /nfs/dbraw/zinc/80/02/22/655800222.db2.gz RLLPXNFNDNLBBY-UHFFFAOYSA-N 1 0 388.965 2.548 20 0 GFADRO O=c1oc2ccc(Br)cc2n1CN1CC[C@H](C[NH+]2CCCC2)C1 ZINC000749956534 655809531 /nfs/dbraw/zinc/80/95/31/655809531.db2.gz WJVOTGOCBJTXSN-CYBMUJFWSA-N 1 0 380.286 2.732 20 0 GFADRO NS(=O)(=O)c1ccc(CC[N@@H+]2CCC[C@H]2C[C@@H](O)c2cccs2)cc1 ZINC000750829600 655817828 /nfs/dbraw/zinc/81/78/28/655817828.db2.gz IYNHXHKKDBKQMH-DOTOQJQBSA-N 1 0 380.535 2.526 20 0 GFADRO COC1CC[NH+](CCNC(=O)Cc2ccc(Cl)cc2Br)CC1 ZINC000750866652 655818167 /nfs/dbraw/zinc/81/81/67/655818167.db2.gz AWSLFNKCKYLSQL-UHFFFAOYSA-N 1 0 389.721 2.872 20 0 GFADRO COc1ccc(C[NH+]2CCC(CNC(=S)NCC(F)(F)F)CC2)cc1 ZINC000751007321 655820211 /nfs/dbraw/zinc/82/02/11/655820211.db2.gz JMMUOASCRYJKLW-UHFFFAOYSA-N 1 0 375.460 2.934 20 0 GFADRO CN(C)c1cc[nH+]c(NC(=O)COc2ccc(C=O)cc2Br)c1 ZINC000753014787 655849258 /nfs/dbraw/zinc/84/92/58/655849258.db2.gz GJZRCHPTGNDMCO-UHFFFAOYSA-N 1 0 378.226 2.740 20 0 GFADRO C[N@@H+]1CCC[C@@H](CNC(=O)c2cnn(-c3ccccc3)c2Br)C1 ZINC000753816797 655859259 /nfs/dbraw/zinc/85/92/59/655859259.db2.gz BTXXFGXMBWIOKX-ZDUSSCGKSA-N 1 0 377.286 2.706 20 0 GFADRO OCC[C@H]([NH2+]C[C@@H](O)COc1ccc(Br)cc1)c1cccs1 ZINC000754385202 655867187 /nfs/dbraw/zinc/86/71/87/655867187.db2.gz NYTIRUNNNOCFDF-HIFRSBDPSA-N 1 0 386.311 2.964 20 0 GFADRO Cc1ccc([C@H](C)[NH2+]CC(=O)Nc2cc(S(N)(=O)=O)ccc2Cl)s1 ZINC000754674070 655871114 /nfs/dbraw/zinc/87/11/14/655871114.db2.gz ZPFSFUAVRDGKAC-JTQLQIEISA-N 1 0 387.914 2.647 20 0 GFADRO Cc1ccc(N2N=C(Br)C[C@@H]2C(=O)NC[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000756041421 655893672 /nfs/dbraw/zinc/89/36/72/655893672.db2.gz LNYHBUJHGXADDJ-GOEBONIOSA-N 1 0 393.329 2.740 20 0 GFADRO COC(=O)N1CCC([NH2+]CCC(=O)Nc2ccc(Br)cc2C)CC1 ZINC000756896707 655906655 /nfs/dbraw/zinc/90/66/55/655906655.db2.gz REBQHPUJSOAMFF-UHFFFAOYSA-N 1 0 398.301 2.907 20 0 GFADRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NCCc1ccc(Br)cc1F ZINC000757687786 655915361 /nfs/dbraw/zinc/91/53/61/655915361.db2.gz HNGDILYEKRYRFQ-BZNIZROVSA-N 1 0 384.293 2.913 20 0 GFADRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)Nc1cccc(I)c1 ZINC000757798396 655916727 /nfs/dbraw/zinc/91/67/27/655916727.db2.gz WOBWPJKONJAHRL-YGRLFVJLSA-N 1 0 385.249 2.895 20 0 GFADRO CC[C@H](Cc1ccccc1Br)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000758158453 655924581 /nfs/dbraw/zinc/92/45/81/655924581.db2.gz XHXICZXEXFMXOE-PVAVHDDUSA-N 1 0 395.341 2.997 20 0 GFADRO Cc1cc(Br)cn2cc(CCNC(=O)N3CCOC[C@@H](C)C3)nc12 ZINC000758694078 655939237 /nfs/dbraw/zinc/93/92/37/655939237.db2.gz BCWVCBCACVBBDJ-LBPRGKRZSA-N 1 0 395.301 2.626 20 0 GFADRO C[C@H]1CCCC[C@@]1(CNC(=O)OC(C)(C)C)[NH2+]CCCCS(C)(=O)=O ZINC000759707737 655961462 /nfs/dbraw/zinc/96/14/62/655961462.db2.gz IPCLQSFRMWNRHU-YJBOKZPZSA-N 1 0 376.563 2.874 20 0 GFADRO CC(C)[C@@H](C[NH+](C)C)NC(=O)c1ncc(Br)cc1Br ZINC000759852818 655965100 /nfs/dbraw/zinc/96/51/00/655965100.db2.gz SJPNZYOYCRPQMF-LLVKDONJSA-N 1 0 393.123 2.923 20 0 GFADRO C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)C[C@H](O)c1ccc(Cl)c(F)c1 ZINC000759844299 655965191 /nfs/dbraw/zinc/96/51/91/655965191.db2.gz MBCPMFNEMIXUNB-DIFFPNOSSA-N 1 0 386.876 2.853 20 0 GFADRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1cnn(-c2ccccc2)c1Br ZINC000760373835 655977887 /nfs/dbraw/zinc/97/78/87/655977887.db2.gz YQWMPZOMUOWOGC-LRDDRELGSA-N 1 0 389.297 2.847 20 0 GFADRO CC(C)c1ccccc1NC(=S)NNC(=S)NCC1CC[NH+](C)CC1 ZINC000760478035 655982082 /nfs/dbraw/zinc/98/20/82/655982082.db2.gz OMKOGOPZJNVVSE-UHFFFAOYSA-N 1 0 379.599 2.817 20 0 GFADRO C[NH+]1CCC(CNC(=S)NCCCC(=O)Nc2ccc(Cl)cc2)CC1 ZINC000760479824 655982151 /nfs/dbraw/zinc/98/21/51/655982151.db2.gz UCWGRZQQRIKGML-UHFFFAOYSA-N 1 0 382.961 2.865 20 0 GFADRO C[NH+]1CCC(CNC(=S)NCCc2ccc(F)c(Br)c2)CC1 ZINC000760479694 655982152 /nfs/dbraw/zinc/98/21/52/655982152.db2.gz QVENXYHDMFFVTN-UHFFFAOYSA-N 1 0 388.350 2.937 20 0 GFADRO C[NH+]1CCC(CNC(=S)NNc2c(F)cc(F)cc2Br)CC1 ZINC000760488209 655982506 /nfs/dbraw/zinc/98/25/06/655982506.db2.gz QUJCJBAUZINKML-UHFFFAOYSA-N 1 0 393.301 2.860 20 0 GFADRO O=C1N[C@@]2(CCSC2)C(=O)N1C[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000760945312 655995056 /nfs/dbraw/zinc/99/50/56/655995056.db2.gz XIDLGPBLWROIEY-CRAIPNDOSA-N 1 0 379.913 2.904 20 0 GFADRO C[C@H]1CCC[N@H+](CCN2C(=O)N[C@](C)(c3cccc(Br)c3)C2=O)C1 ZINC000761021766 655996761 /nfs/dbraw/zinc/99/67/61/655996761.db2.gz ZXCYMJRUZGVCDD-SCLBCKFNSA-N 1 0 394.313 2.948 20 0 GFADRO CCCC[N@H+](C)CCN1C(=O)N[C@](C)(c2cccc(Br)c2)C1=O ZINC000761197856 656003079 /nfs/dbraw/zinc/00/30/79/656003079.db2.gz DJIHRXIXFZNMAK-QGZVFWFLSA-N 1 0 382.302 2.948 20 0 GFADRO C[C@@H]1C[N@H+](CCCNc2ccc(S(=O)(=O)C(F)(F)F)cc2)CCCO1 ZINC000763048477 656069364 /nfs/dbraw/zinc/06/93/64/656069364.db2.gz IFJYVFKGACXTOI-CYBMUJFWSA-N 1 0 380.432 2.893 20 0 GFADRO COC(=O)CC[N@@H+](Cc1cccc(Br)c1)C[C@H]1CC2(CC2)C(=O)O1 ZINC000763789466 656093728 /nfs/dbraw/zinc/09/37/28/656093728.db2.gz OOBSPGHJTDHDHL-OAHLLOKOSA-N 1 0 396.281 2.910 20 0 GFADRO NC(=O)[C@H]1CCC[N@H+](Cc2ccc(NC(=O)C3SCCCS3)cc2)C1 ZINC000841096526 661232411 /nfs/dbraw/zinc/23/24/11/661232411.db2.gz WXTQZDXHTYNGHY-AWEZNQCLSA-N 1 0 379.551 2.519 20 0 GFADRO O=C(NC1CC[NH+](C[C@H]2CCCO2)CC1)[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000765044264 656127294 /nfs/dbraw/zinc/12/72/94/656127294.db2.gz VEVQDVJGAPTXPH-SJORKVTESA-N 1 0 387.307 2.786 20 0 GFADRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)Nc3cc4c(cc3Br)OCCO4)C[C@H]21 ZINC000841016652 661227765 /nfs/dbraw/zinc/22/77/65/661227765.db2.gz WDWYTOFKXLSBDD-DMDPSCGWSA-N 1 0 396.285 2.811 20 0 GFADRO C[NH+]1CCN(c2ccccc2NC(=O)c2ncc(Br)s2)CC1 ZINC000765205770 656137069 /nfs/dbraw/zinc/13/70/69/656137069.db2.gz GPRVHMRFYBCPRY-UHFFFAOYSA-N 1 0 381.299 2.910 20 0 GFADRO COC(=O)N1CCC[C@H]([NH2+][C@H](C)CC(=O)Nc2cccc(Br)c2)C1 ZINC000765629964 656146282 /nfs/dbraw/zinc/14/62/82/656146282.db2.gz KSZURIRZKZRJND-DOMZBBRYSA-N 1 0 398.301 2.987 20 0 GFADRO CC(C)O[C@@H]1C[C@H]([NH2+]CCNS(=O)(=O)c2ccc(Cl)s2)C1(C)C ZINC000765811245 656152910 /nfs/dbraw/zinc/15/29/10/656152910.db2.gz OWGJKYGVYJKQBT-NWDGAFQWSA-N 1 0 380.963 2.862 20 0 GFADRO COc1ccc(Br)c(C(=O)NCCC[NH2+][C@@H](C)C[C@@H]2CCOC2)c1 ZINC000765886637 656154102 /nfs/dbraw/zinc/15/41/02/656154102.db2.gz VDAHPQRVJYADNA-KBPBESRZSA-N 1 0 399.329 2.982 20 0 GFADRO C[C@@H]([NH2+]CC1CCN(S(=O)(=O)C(F)(F)F)CC1)c1ccnc(Cl)c1 ZINC000765937981 656155946 /nfs/dbraw/zinc/15/59/46/656155946.db2.gz YPUHLGQSPUXSIM-SNVBAGLBSA-N 1 0 385.839 2.947 20 0 GFADRO C[C@@H](C[C@@H]1CCOC1)[NH2+]CCc1ccc(S(=O)(=O)N2CCCCC2)s1 ZINC000766211989 656165443 /nfs/dbraw/zinc/16/54/43/656165443.db2.gz DXCJKCHDRWGKFC-HOTGVXAUSA-N 1 0 386.583 2.870 20 0 GFADRO C[C@H](CNC(=O)N[C@H](CO)c1cccc(Br)c1)[NH+]1CCCCC1 ZINC000766881095 656186886 /nfs/dbraw/zinc/18/68/86/656186886.db2.gz YWGDSKOWCIDQAE-CZUORRHYSA-N 1 0 384.318 2.656 20 0 GFADRO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(c2ccc(C(F)(F)F)c(Cl)n2)CC1 ZINC000767262308 656197675 /nfs/dbraw/zinc/19/76/75/656197675.db2.gz HLRHPFLCQALTFY-GFCCVEGCSA-N 1 0 376.810 2.672 20 0 GFADRO O[C@H]1CCC[C@H]1[NH+]1CCC(NC(=S)NCCSc2ccccc2)CC1 ZINC000767690403 656214181 /nfs/dbraw/zinc/21/41/81/656214181.db2.gz QTRGKVRVOIBEMA-MSOLQXFVSA-N 1 0 379.595 2.621 20 0 GFADRO O=C(NCC1CC[NH2+]CC1)C(=O)Nc1ccc2cc(Br)ccc2c1 ZINC000841151240 661238731 /nfs/dbraw/zinc/23/87/31/661238731.db2.gz FEVLSICALYJIIK-UHFFFAOYSA-N 1 0 390.281 2.657 20 0 GFADRO CSc1nc2ccc(NC(=O)C(=O)N3CCC([C@@H](C)[NH3+])CC3)cc2s1 ZINC000841168565 661240982 /nfs/dbraw/zinc/24/09/82/661240982.db2.gz LXNONPOGEQKUIJ-SNVBAGLBSA-N 1 0 378.523 2.543 20 0 GFADRO O=S(=O)(/C=C/c1cccc(Cl)c1)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000768831090 656253553 /nfs/dbraw/zinc/25/35/53/656253553.db2.gz GNZJXPFWWQXHBA-RXNMKEHESA-N 1 0 384.929 2.874 20 0 GFADRO Cc1nn(-c2ccc(Cl)cc2)c(Cl)c1CN1CC[NH+](C[C@H](C)O)CC1 ZINC000769331245 656270793 /nfs/dbraw/zinc/27/07/93/656270793.db2.gz ZZMPSYIWQVLKMW-ZDUSSCGKSA-N 1 0 383.323 2.986 20 0 GFADRO [NH3+][C@H]1CCC[C@@H](NC(=O)C(=O)Nc2ccc3cc(Br)ccc3c2)C1 ZINC000841225508 661245727 /nfs/dbraw/zinc/24/57/27/661245727.db2.gz ZXQPBXYRCRHWES-LSDHHAIUSA-N 1 0 390.281 2.927 20 0 GFADRO CCS(=O)(=O)c1ccc(Cl)c(C(=O)NCCN2CCCC(C)(C)C2)c1 ZINC000769707475 656286707 /nfs/dbraw/zinc/28/67/07/656286707.db2.gz JJWPAUKVLSEODS-UHFFFAOYSA-N 1 0 386.945 2.985 20 0 GFADRO O[C@H](C[NH2+][C@H]1CCCC[C@H]1N1CCOCC1)c1ccccc1Br ZINC000769799230 656292263 /nfs/dbraw/zinc/29/22/63/656292263.db2.gz FCRUFCWTMUIPJF-RCCFBDPRSA-N 1 0 383.330 2.716 20 0 GFADRO O=C(c1cccnc1I)N1CCC([NH+]2CCCCC2)CC1 ZINC000770486483 656320795 /nfs/dbraw/zinc/32/07/95/656320795.db2.gz DOSWXGXSIPTKFS-UHFFFAOYSA-N 1 0 399.276 2.777 20 0 GFADRO C[C@H](NC(=O)N[C@@H](CC[NH3+])C(F)(F)F)[C@H](O)c1c(Cl)cccc1Cl ZINC000841334021 661252487 /nfs/dbraw/zinc/25/24/87/661252487.db2.gz AUUTWKXUPAYRJR-JWYUURKGSA-N 1 0 388.217 2.994 20 0 GFADRO CC(C)[NH+]1CCC(N2CCN(Cn3nc(C4CC4)sc3=S)CC2)CC1 ZINC000771173911 656342181 /nfs/dbraw/zinc/34/21/81/656342181.db2.gz IJFOBGSCCDBZTH-UHFFFAOYSA-N 1 0 381.615 2.999 20 0 GFADRO OCC[C@@H]([NH2+]C[C@H](O)COc1ccc(Cl)cc1Br)C1CC1 ZINC000771805225 656362923 /nfs/dbraw/zinc/36/29/23/656362923.db2.gz YNQMPOTUUNAGHG-GXTWGEPZSA-N 1 0 378.694 2.593 20 0 GFADRO CC[NH+](CC)CCOC(=O)[C@@H]1CCCN1C(=O)c1ccc(Br)cc1 ZINC000772065989 656372173 /nfs/dbraw/zinc/37/21/73/656372173.db2.gz TXIKRSJATVKOJT-INIZCTEOSA-N 1 0 397.313 2.939 20 0 GFADRO C[NH+](C)[C@H]1CCCN(C(=O)c2cc(=O)c3cc(Br)ccc3o2)C1 ZINC000841387108 661257466 /nfs/dbraw/zinc/25/74/66/661257466.db2.gz IAGKZQBPYLIQGJ-LBPRGKRZSA-N 1 0 379.254 2.722 20 0 GFADRO C[NH+](C)[C@@H]1CCCN(C(=O)c2cc(=O)c3cc(Br)ccc3o2)C1 ZINC000841387107 661257589 /nfs/dbraw/zinc/25/75/89/661257589.db2.gz IAGKZQBPYLIQGJ-GFCCVEGCSA-N 1 0 379.254 2.722 20 0 GFADRO O=S(=O)(CC[NH2+][C@H]1CCCSc2ccc(Cl)cc21)N1CCOCC1 ZINC000772959556 656395635 /nfs/dbraw/zinc/39/56/35/656395635.db2.gz AFKSNTHEYLZMLI-HNNXBMFYSA-N 1 0 390.958 2.519 20 0 GFADRO CS[C@H]1CN(S(=O)(=O)C2=Cc3ccccc3CC2)C[C@H]1[NH+]1CCCC1 ZINC000773304971 656409608 /nfs/dbraw/zinc/40/96/08/656409608.db2.gz FRIGHOHRMLMOPY-MOPGFXCFSA-N 1 0 378.563 2.815 20 0 GFADRO Brc1cc(C[NH2+]C[C@H]2COC3(CCCC3)O2)cc2c1OCCO2 ZINC000773413350 656444549 /nfs/dbraw/zinc/44/45/49/656444549.db2.gz DZMLFOCWJSZBHM-ZDUSSCGKSA-N 1 0 384.270 2.996 20 0 GFADRO CCCS(=O)(=O)N1CCC([NH2+]Cc2c(C3CC3)nc3sccn23)CC1 ZINC000774806312 656558230 /nfs/dbraw/zinc/55/82/30/656558230.db2.gz IAYNXWKPZHRSKB-UHFFFAOYSA-N 1 0 382.555 2.567 20 0 GFADRO CCOC(=O)c1cc(S(=O)(=O)N(C)CCCC[NH+](C)C)c(F)cc1Cl ZINC000841501384 661275934 /nfs/dbraw/zinc/27/59/34/661275934.db2.gz GZAMDMCURNPYCS-UHFFFAOYSA-N 1 0 394.896 2.618 20 0 GFADRO Cc1cc(Br)cc(C[NH2+]C[C@H]2CCC[C@@]23NC(=O)N(C)C3=O)c1 ZINC000774998372 656583766 /nfs/dbraw/zinc/58/37/66/656583766.db2.gz COZUTECJLKQBOH-CXAGYDPISA-N 1 0 380.286 2.568 20 0 GFADRO CN(C)C(=O)[C@@H]1CC[C@@H](C[NH2+]Cc2nc3ccc(Br)cc3s2)O1 ZINC000775016530 656586684 /nfs/dbraw/zinc/58/66/84/656586684.db2.gz OCXAPRFDZILZLH-AAEUAGOBSA-N 1 0 398.326 2.784 20 0 GFADRO CC(C)NS(=O)(=O)c1cccc(C[NH2+][C@@H]2CC[C@H]3SCCS[C@@H]23)c1 ZINC000775376275 656633658 /nfs/dbraw/zinc/63/36/58/656633658.db2.gz PGQPNASIDNKQKZ-ZACQAIPSSA-N 1 0 386.608 2.843 20 0 GFADRO CCN(CCNS(=O)(=O)c1cccc2scnc21)CCC(F)(F)F ZINC000841518325 661285198 /nfs/dbraw/zinc/28/51/98/661285198.db2.gz AXMGJOUTRHOEBJ-UHFFFAOYSA-N 1 0 381.445 2.849 20 0 GFADRO Cc1cnc(Br)cc1NC(=O)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000776041697 656704936 /nfs/dbraw/zinc/70/49/36/656704936.db2.gz JDVJDVJKNXFUTN-UHFFFAOYSA-N 1 0 398.349 2.642 20 0 GFADRO Cc1nn(CC(=O)OC(C)C)c(C)c1C[NH2+][C@@H]1CC[C@@H]2SCCS[C@@H]12 ZINC000776256232 656722973 /nfs/dbraw/zinc/72/29/73/656722973.db2.gz NRRDYSFGNCPSNG-RYRKJORJSA-N 1 0 383.583 2.921 20 0 GFADRO CC[C@H]([NH2+]CCCOC(=O)NC(N)=O)c1cc(F)cc(Br)c1 ZINC000776838140 656797819 /nfs/dbraw/zinc/79/78/19/656797819.db2.gz GPEVPQYZWIBCLS-LBPRGKRZSA-N 1 0 376.226 2.824 20 0 GFADRO C[N@@H+]1CC[C@H](CN2C(=O)[C@@H]3CSCN3C2=O)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000777672954 656832783 /nfs/dbraw/zinc/83/27/83/656832783.db2.gz XYETXGMODHICFD-UGFHNGPFSA-N 1 0 383.876 2.809 20 0 GFADRO CCOC(=O)C(F)(F)[C@@H]1CCC[C@@H]([NH2+]CCC2CCS(=O)(=O)CC2)C1 ZINC000779415274 656925270 /nfs/dbraw/zinc/92/52/70/656925270.db2.gz JXHPHWFIWFLHQX-HUUCEWRRSA-N 1 0 381.485 2.548 20 0 GFADRO Cc1cc(NC(=O)c2nc(Br)cs2)n(C2CC[NH+](C)CC2)n1 ZINC000779804781 656943732 /nfs/dbraw/zinc/94/37/32/656943732.db2.gz VUOHHQHTSASBOE-UHFFFAOYSA-N 1 0 384.303 2.930 20 0 GFADRO O=C(NOCc1ccc(F)cc1Br)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000780307342 656997507 /nfs/dbraw/zinc/99/75/07/656997507.db2.gz IEAKYWOLWQHJOE-CABCVRRESA-N 1 0 386.265 2.946 20 0 GFADRO CC(C)(C)n1cc(C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)c(Br)n1 ZINC000780538698 657012777 /nfs/dbraw/zinc/01/27/77/657012777.db2.gz NEDVRMMBVVIHIU-ZDUSSCGKSA-N 1 0 383.334 2.959 20 0 GFADRO COC(=O)c1cc(S(=O)(=O)NC[C@H](C)[NH+]2CCCC2)c(Cl)cc1Cl ZINC000780704323 657024163 /nfs/dbraw/zinc/02/41/63/657024163.db2.gz NILSKNJAOXHTHO-JTQLQIEISA-N 1 0 395.308 2.543 20 0 GFADRO Cc1cc(Br)ccc1S(=O)(=O)NC[C@@H](C)[NH+]1CCCCC1 ZINC000780716881 657025282 /nfs/dbraw/zinc/02/52/82/657025282.db2.gz TXXJEECREQCMNS-CYBMUJFWSA-N 1 0 375.332 2.910 20 0 GFADRO COC(=O)c1cc(S(=O)(=O)NCC[N@@H+]2CCC[C@H]2C)c(Cl)cc1Cl ZINC000780866441 657034000 /nfs/dbraw/zinc/03/40/00/657034000.db2.gz FXMFFJNBIAWGQO-SNVBAGLBSA-N 1 0 395.308 2.543 20 0 GFADRO COC(=O)c1ccc(C[NH2+]C[C@@](O)(c2ccc(Cl)cc2)C(F)(F)F)[nH]1 ZINC000781917794 657089125 /nfs/dbraw/zinc/08/91/25/657089125.db2.gz ITMIXKYIFJEAFD-OAHLLOKOSA-N 1 0 376.762 2.994 20 0 GFADRO COc1ccc(C(=O)N[C@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)nc1Br ZINC000781951661 657092202 /nfs/dbraw/zinc/09/22/02/657092202.db2.gz ZWINWRRQEPFGGQ-FRRDWIJNSA-N 1 0 384.318 2.949 20 0 GFADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=S)NCCSc1ccccc1 ZINC000782403806 657139144 /nfs/dbraw/zinc/13/91/44/657139144.db2.gz AFIQRKRPYBOIKQ-INIZCTEOSA-N 1 0 379.595 2.838 20 0 GFADRO C[NH+]1CCC(NC(=S)N[C@H]2CCN(c3cccc(Br)c3)C2)CC1 ZINC000782411779 657140991 /nfs/dbraw/zinc/14/09/91/657140991.db2.gz VFETXUJUOOWIOQ-HNNXBMFYSA-N 1 0 397.386 2.586 20 0 GFADRO O=C1NCC2(CC[NH+](CC3=Cc4cc(Br)ccc4OC3)CC2)O1 ZINC000783718145 657253756 /nfs/dbraw/zinc/25/37/56/657253756.db2.gz QXMXHLOYASOZTN-UHFFFAOYSA-N 1 0 379.254 2.799 20 0 GFADRO CN1CCC([N@@H+]2CC[C@H](NC(=S)Nc3ccc(Br)cc3)C2)CC1 ZINC000783738099 657256727 /nfs/dbraw/zinc/25/67/27/657256727.db2.gz PAQVTIBDDOLZRA-HNNXBMFYSA-N 1 0 397.386 2.904 20 0 GFADRO Cc1cc(C)n(-c2ccc(C[NH2+]Cc3cc(Br)nn3C)cn2)n1 ZINC000785424989 657364059 /nfs/dbraw/zinc/36/40/59/657364059.db2.gz AUXZHALJVYYAIH-UHFFFAOYSA-N 1 0 375.274 2.670 20 0 GFADRO Cn1nc(Br)cc1C[NH2+]CCNc1ccc(-c2ccccc2)nn1 ZINC000785448746 657365530 /nfs/dbraw/zinc/36/55/30/657365530.db2.gz QVFFHKVAMHXVEC-UHFFFAOYSA-N 1 0 387.285 2.841 20 0 GFADRO Cn1nc(Br)cc1C[NH2+]C[C@H]1CSCCN1Cc1ccccc1 ZINC000785519593 657371422 /nfs/dbraw/zinc/37/14/22/657371422.db2.gz DZHBKBAGGKRAGE-INIZCTEOSA-N 1 0 395.370 2.890 20 0 GFADRO CN(CCC[NH2+]C1CC(c2ccc(Br)cc2)C1)S(C)(=O)=O ZINC000786794097 657464323 /nfs/dbraw/zinc/46/43/23/657464323.db2.gz RVNVOGBHWRKBCI-UHFFFAOYSA-N 1 0 375.332 2.566 20 0 GFADRO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)NCC[N@@H+]1CCC[C@H]1C ZINC000786869024 657477475 /nfs/dbraw/zinc/47/74/75/657477475.db2.gz QPESVHXJUJVVKY-KGLIPLIRSA-N 1 0 390.933 2.516 20 0 GFADRO CCOC(=O)C(F)(F)[C@H]1CC[C@@H]([NH2+]Cc2ccc(S(C)(=O)=O)s2)C1 ZINC000786959799 657496277 /nfs/dbraw/zinc/49/62/77/657496277.db2.gz HMAXWORBDHWOOM-WDEREUQCSA-N 1 0 381.466 2.608 20 0 GFADRO CCO[C@@H]1C[C@H]([NH2+]Cc2cc(Br)nn2C)[C@H]1Oc1ccccc1 ZINC000787276146 657537337 /nfs/dbraw/zinc/53/73/37/657537337.db2.gz PXAACWVIQCLUDO-ZMSDIMECSA-N 1 0 380.286 2.897 20 0 GFADRO COC(=O)/C=C1\SCC(=O)N1CCC[N@@H+]1CC[C@@H](C(F)(F)F)C1(C)C ZINC000787328280 657544062 /nfs/dbraw/zinc/54/40/62/657544062.db2.gz QIJBYBHSRWPGGG-NASPGAHYSA-N 1 0 380.432 2.629 20 0 GFADRO CC[NH+](CC)[C@@H](CNC(=O)c1cc(Br)n[nH]1)c1cccc(OC)c1 ZINC000788271502 657686350 /nfs/dbraw/zinc/68/63/50/657686350.db2.gz NCFJNJUOBLMENS-HNNXBMFYSA-N 1 0 395.301 2.994 20 0 GFADRO COC(=O)c1sc(S(=O)(=O)NC[C@@H](C)C[NH+]2CCCC2)c(C)c1Cl ZINC000788595993 657749388 /nfs/dbraw/zinc/74/93/88/657749388.db2.gz ODBJAAOXRMFWQK-SNVBAGLBSA-N 1 0 394.946 2.507 20 0 GFADRO COC(=O)c1sc(S(=O)(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)c(C)c1Cl ZINC000788648489 657760651 /nfs/dbraw/zinc/76/06/51/657760651.db2.gz ZPHFYTQVSKOWLV-QWRGUYRKSA-N 1 0 394.946 2.648 20 0 GFADRO C[C@@H]1OC(=O)N[C@H]1C(=O)N(CCC[NH+](C)C)Cc1ccc(Cl)c(Cl)c1 ZINC000788650843 657762000 /nfs/dbraw/zinc/76/20/00/657762000.db2.gz PUCCZAQTKYXWIU-XHDPSFHLSA-N 1 0 388.295 2.771 20 0 GFADRO C[NH+](C)CCCNC(=S)N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1 ZINC000788679281 657772148 /nfs/dbraw/zinc/77/21/48/657772148.db2.gz HSVXHFMSWZBGDQ-CYBMUJFWSA-N 1 0 375.369 2.988 20 0 GFADRO C[NH+]1CCC(NC(=S)N[C@H](c2cncc(Br)c2)C2CC2)CC1 ZINC000789357276 657841171 /nfs/dbraw/zinc/84/11/71/657841171.db2.gz OBRIWGHANJMVTH-HNNXBMFYSA-N 1 0 383.359 2.854 20 0 GFADRO COC(=O)c1c2cnn(C[N@H+](C)CC3CCOCC3)c2ccc1Br ZINC000790441655 657979163 /nfs/dbraw/zinc/97/91/63/657979163.db2.gz FTZQPEBZHBKUHN-UHFFFAOYSA-N 1 0 396.285 2.901 20 0 GFADRO COC(=O)c1c2cnn(C[N@H+](C)C[C@H]3CCCOC3)c2ccc1Br ZINC000790445406 657981493 /nfs/dbraw/zinc/98/14/93/657981493.db2.gz ITUCIPFGZQCBNQ-GFCCVEGCSA-N 1 0 396.285 2.901 20 0 GFADRO CC(C)[N@@H+]1CCCN(Cn2c(=O)oc3cc(F)c(Br)cc32)CC1 ZINC000792705275 658314551 /nfs/dbraw/zinc/31/45/51/658314551.db2.gz IFHFPYSETRDDMQ-UHFFFAOYSA-N 1 0 386.265 2.870 20 0 GFADRO CS[C@H]1CN(C(=O)Cc2sc(SC(F)F)nc2C)C[C@@H]1[NH+](C)C ZINC000793739259 658431965 /nfs/dbraw/zinc/43/19/65/658431965.db2.gz BNHNRMBPEGWBPI-ONGXEEELSA-N 1 0 381.539 2.813 20 0 GFADRO Cc1ccc(/C=C/C(=O)N2CC[N@@H+](C[C@H](C)O)C[C@@H]2C)c(Br)c1 ZINC000793873998 658453481 /nfs/dbraw/zinc/45/34/81/658453481.db2.gz KDKVCUBXGAACLZ-KXLSMFKISA-N 1 0 381.314 2.684 20 0 GFADRO Cc1ccc(NC(=O)N2CCN(c3cc[nH+]cc3)CC2)nc1Br ZINC000794364287 658531409 /nfs/dbraw/zinc/53/14/09/658531409.db2.gz PKIQPFNZEGGEGF-UHFFFAOYSA-N 1 0 376.258 2.902 20 0 GFADRO COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)NCC[N@@H+]1CCC[C@@H]1C ZINC000795946360 658875761 /nfs/dbraw/zinc/87/57/61/658875761.db2.gz ZIBIOSADBPCVGW-JTQLQIEISA-N 1 0 395.308 2.543 20 0 GFADRO CCc1nnc(NC(=O)[C@H](C)[C@@H](C)[NH2+]Cc2c(CC)nn(C)c2Cl)s1 ZINC000796528674 658922173 /nfs/dbraw/zinc/92/21/73/658922173.db2.gz JAPWRCYSGWWSJT-NXEZZACHSA-N 1 0 384.937 2.803 20 0 GFADRO COc1c[nH+]ccc1N1CCN(C[C@@H](O)c2ccccc2Br)CC1 ZINC000796574516 658924118 /nfs/dbraw/zinc/92/41/18/658924118.db2.gz FLGYOWPRSJCSQF-QGZVFWFLSA-N 1 0 392.297 2.708 20 0 GFADRO CC(C)[N@@H+]1CCC[C@H](NS(=O)(=O)c2cc(Br)cnc2Cl)C1 ZINC000797832254 659058041 /nfs/dbraw/zinc/05/80/41/659058041.db2.gz SFTKRVBDDPKAGY-NSHDSACASA-N 1 0 396.738 2.649 20 0 GFADRO Cc1ccc(C[NH+](C)C)cc1NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1 ZINC000798330672 659095057 /nfs/dbraw/zinc/09/50/57/659095057.db2.gz DPNCERMEUWILIL-UHFFFAOYSA-N 1 0 381.885 2.610 20 0 GFADRO C[NH+](C)CC1(NC(=O)c2cnn(-c3ccccc3)c2Br)CCC1 ZINC000798576213 659119700 /nfs/dbraw/zinc/11/97/00/659119700.db2.gz LGARVYXDFJUSEO-UHFFFAOYSA-N 1 0 377.286 2.849 20 0 GFADRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)N2CCC=C(Br)C2)[C@H](C)C1 ZINC000799371302 659184373 /nfs/dbraw/zinc/18/43/73/659184373.db2.gz GZJWYFIENSTPJU-GDBMZVCRSA-N 1 0 388.350 2.818 20 0 GFADRO CC[NH+](CC)CCCOC(=O)[C@@H]1CCCCN1S(=O)(=O)c1cccs1 ZINC000800138001 659275492 /nfs/dbraw/zinc/27/54/92/659275492.db2.gz HUXYMJAFCOIKJX-HNNXBMFYSA-N 1 0 388.555 2.566 20 0 GFADRO Cc1nn(C)c(Br)c1C(=O)N[C@@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000800941432 659355565 /nfs/dbraw/zinc/35/55/65/659355565.db2.gz AFQDEZKYBFOXKW-WFASDCNBSA-N 1 0 379.302 2.912 20 0 GFADRO Cc1nn(C)c(Br)c1C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000800968299 659360341 /nfs/dbraw/zinc/36/03/41/659360341.db2.gz JHLFSXZLAHETDK-OAHLLOKOSA-N 1 0 391.313 2.743 20 0 GFADRO CC(C)(C)OC(=O)N1CCN([C@@H](C[NH2+][C@@H]2CCSC2)C(F)(F)F)CC1 ZINC000800992413 659362051 /nfs/dbraw/zinc/36/20/51/659362051.db2.gz IPGPUSIZFPFKIK-OLZOCXBDSA-N 1 0 383.480 2.565 20 0 GFADRO Cc1nn(C)c(Br)c1C(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000801094041 659367437 /nfs/dbraw/zinc/36/74/37/659367437.db2.gz JSTOVMYLDJMUFW-UHFFFAOYSA-N 1 0 383.265 2.622 20 0 GFADRO Cn1nc(Br)cc1C[NH2+]C[C@@H](O)c1cccc(Br)c1 ZINC000801734774 659420345 /nfs/dbraw/zinc/42/03/45/659420345.db2.gz IXYFKEMCESBBJV-GFCCVEGCSA-N 1 0 389.091 2.768 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)NC[C@@H](O)c2cccc(Br)c2)C1 ZINC000801758080 659424516 /nfs/dbraw/zinc/42/45/16/659424516.db2.gz IBNSRIUJGONZIZ-BZUAXINKSA-N 1 0 384.318 2.655 20 0 GFADRO CC1CC[NH+](CCCNC(=O)NC[C@@H](O)c2cccc(Br)c2)CC1 ZINC000801967841 659437875 /nfs/dbraw/zinc/43/78/75/659437875.db2.gz OQYVKUMXAZXQMR-QGZVFWFLSA-N 1 0 398.345 2.904 20 0 GFADRO Cc1nn(C)c(Br)c1C(=O)O[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000802087510 659444457 /nfs/dbraw/zinc/44/44/57/659444457.db2.gz XQPVQAVWLPXEAI-AWEZNQCLSA-N 1 0 378.270 2.922 20 0 GFADRO COC(=O)COc1ccc(C[NH2+]C[C@@H](O)c2cccc(Br)c2)cc1 ZINC000802659030 659493732 /nfs/dbraw/zinc/49/37/32/659493732.db2.gz VZCPVZGWHYGCHV-QGZVFWFLSA-N 1 0 394.265 2.824 20 0 GFADRO OCCCC[NH+]1CCN(c2ccc(-c3ccc(Br)s3)nn2)CC1 ZINC000804502126 659652146 /nfs/dbraw/zinc/65/21/46/659652146.db2.gz LQPXWHGSOXYAIS-UHFFFAOYSA-N 1 0 397.342 2.862 20 0 GFADRO CNC(=O)OC[C@H]1CCCC[N@@H+]1C[C@H](O)COc1ccc(Cl)cc1Cl ZINC000805824794 659807808 /nfs/dbraw/zinc/80/78/08/659807808.db2.gz FRYAGZRYFWDMLC-KGLIPLIRSA-N 1 0 391.295 2.944 20 0 GFADRO COCCS(=O)(=O)c1ccc(C[NH2+][C@@H]2CCc3nc(Cl)ccc32)cc1 ZINC000806161256 659826594 /nfs/dbraw/zinc/82/65/94/659826594.db2.gz IUOMPIUMIDVPHU-MRXNPFEDSA-N 1 0 380.897 2.932 20 0 GFADRO CC(C)(C)OC(=O)CS(=O)(=O)CC[NH2+][C@H]1CCSc2c(F)cccc21 ZINC000806626261 659838021 /nfs/dbraw/zinc/83/80/21/659838021.db2.gz QEMURJQXRFDIID-AWEZNQCLSA-N 1 0 389.514 2.709 20 0 GFADRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1Cn1c2ccc(Br)cc2oc1=O ZINC000808189867 659880861 /nfs/dbraw/zinc/88/08/61/659880861.db2.gz BPFGHDQSPNVGTR-JSGCOSHPSA-N 1 0 380.286 2.873 20 0 GFADRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1Cn1c(=O)oc2cccc(Br)c21 ZINC000808190094 659880888 /nfs/dbraw/zinc/88/08/88/659880888.db2.gz CAXQNVLYZFSWQP-OCCSQVGLSA-N 1 0 380.286 2.873 20 0 GFADRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1CN1Cc2ccc(Br)cc2C1=O ZINC000808194661 659881514 /nfs/dbraw/zinc/88/15/14/659881514.db2.gz YVGBCQHQCRKMLW-GUYCJALGSA-N 1 0 378.314 2.921 20 0 GFADRO Brc1c(CN2CCC[N@H+](C[C@@H]3CCCO3)CC2)nc2ccccn12 ZINC000809545153 659931730 /nfs/dbraw/zinc/93/17/30/659931730.db2.gz YFJWLYDGSXRTEB-HNNXBMFYSA-N 1 0 393.329 2.784 20 0 GFADRO C[NH+](C)CCN(Cc1nc2ccccn2c1Br)C[C@H]1CCCO1 ZINC000809737896 659937734 /nfs/dbraw/zinc/93/77/34/659937734.db2.gz OTLVVZDTQZNYCZ-CQSZACIVSA-N 1 0 381.318 2.639 20 0 GFADRO C[N@H+](CCn1cc(Br)cn1)CC(C)(C)NC(=O)OC(C)(C)C ZINC000809792804 659939335 /nfs/dbraw/zinc/93/93/35/659939335.db2.gz HOFQVDZQZPTHPE-UHFFFAOYSA-N 1 0 375.311 2.881 20 0 GFADRO CN(C)CC[N@H+](C)CCCN(C)Cc1ccccc1I ZINC000809788777 659939373 /nfs/dbraw/zinc/93/93/73/659939373.db2.gz VYZUESHCTCMSCE-UHFFFAOYSA-N 1 0 389.325 2.607 20 0 GFADRO Cn1c(SCC(=O)O[C@@H]2CC[N@@H+]3CCC[C@H]3C2)nnc1-c1cccs1 ZINC000810849142 659988455 /nfs/dbraw/zinc/98/84/55/659988455.db2.gz YRPJVMGFJKXRJU-QWHCGFSZSA-N 1 0 378.523 2.806 20 0 GFADRO CC(C)(C)OC(=O)NC[C@@](C)(O)C[NH2+]Cc1cc(F)cc(Br)c1 ZINC000811814133 660015855 /nfs/dbraw/zinc/01/58/55/660015855.db2.gz QNBCUQIWKYLBEE-INIZCTEOSA-N 1 0 391.281 2.954 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3[nH]nc(-c4ccccc4)c3Br)C[C@@H]2C1 ZINC000812333144 660024455 /nfs/dbraw/zinc/02/44/55/660024455.db2.gz MWKUWZWIDJYIMM-KGLIPLIRSA-N 1 0 389.297 2.863 20 0 GFADRO O[C@H](COc1ccc(Cl)c(Cl)c1)C[NH+]1CCC2(CC1)OCCCO2 ZINC000815156340 660114697 /nfs/dbraw/zinc/11/46/97/660114697.db2.gz BKOZECFXLRBRJJ-ZDUSSCGKSA-N 1 0 376.280 2.962 20 0 GFADRO OC[C@]1([C@H]([NH2+]C[C@H](O)c2ccc(F)c(Br)c2)C2CC2)CCCO1 ZINC000815292848 660119942 /nfs/dbraw/zinc/11/99/42/660119942.db2.gz RHLDKEGUPAHARR-BBWFWOEESA-N 1 0 388.277 2.531 20 0 GFADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3cn4c(Br)cnc4s3)CC[C@H]21 ZINC000815824915 660132241 /nfs/dbraw/zinc/13/22/41/660132241.db2.gz YLELUFSEKAIAKY-GHMZBOCLSA-N 1 0 383.315 2.715 20 0 GFADRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2cn3c(Br)cnc3s2)C1 ZINC000815836640 660132635 /nfs/dbraw/zinc/13/26/35/660132635.db2.gz LRBSMTIGESJTCQ-WDEREUQCSA-N 1 0 383.315 2.715 20 0 GFADRO CS(=O)(=O)[C@@H]1CCC[C@@H]([NH2+]CC(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000816542773 660160723 /nfs/dbraw/zinc/16/07/23/660160723.db2.gz AIFDVTAOAOYHGM-VXGBXAGGSA-N 1 0 379.309 2.877 20 0 GFADRO Cn1nc(Br)cc1C(=O)NC[C@@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000816591462 660161890 /nfs/dbraw/zinc/16/18/90/660161890.db2.gz FJMYKDFGSDMHIP-LBPRGKRZSA-N 1 0 399.720 2.911 20 0 GFADRO C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)c1nc(Br)ccc1Br ZINC000816766959 660168247 /nfs/dbraw/zinc/16/82/47/660168247.db2.gz LTLDDSWVJGSAEW-WCBMZHEXSA-N 1 0 391.107 2.771 20 0 GFADRO COC(=O)c1ccc(Cl)c(S(=O)(=O)N(C)C(C)(C)C[NH+]2CCCC2)c1 ZINC000841573967 661305687 /nfs/dbraw/zinc/30/56/87/661305687.db2.gz HXUJWPUSXPGCLL-UHFFFAOYSA-N 1 0 388.917 2.622 20 0 GFADRO CN(C)CC[N@H+](C)CCCNC(=O)Nc1cnc(Cl)c(C(F)(F)F)c1 ZINC000841797598 661314222 /nfs/dbraw/zinc/31/42/22/661314222.db2.gz YMCVZBWIMZNIDT-UHFFFAOYSA-N 1 0 381.830 2.759 20 0 GFADRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N1CCO[C@@H](c2ccccc2Br)C1 ZINC000841975225 661318704 /nfs/dbraw/zinc/31/87/04/661318704.db2.gz DQBBXDCEMFRCBO-DAXOMENPSA-N 1 0 382.302 2.530 20 0 GFADRO C[C@@]1(CNC(=O)N2CCO[C@H](c3ccccc3Br)C2)CCC[NH2+]C1 ZINC000841970491 661318790 /nfs/dbraw/zinc/31/87/90/661318790.db2.gz LYINRAOCSQSBKM-FUHWJXTLSA-N 1 0 396.329 2.922 20 0 GFADRO C[C@H](NC(=O)N[C@H]1C[NH2+]CCC1(F)F)[C@H](O)c1c(Cl)cccc1Cl ZINC000842006021 661319529 /nfs/dbraw/zinc/31/95/29/661319529.db2.gz UOPJMGKSWMUWSF-QWRKXWFKSA-N 1 0 382.238 2.712 20 0 GFADRO CC[NH+](CC)CCCNC(=O)C(=O)Nc1cnc(Cl)c(C(F)(F)F)c1 ZINC000842199221 661326594 /nfs/dbraw/zinc/32/65/94/661326594.db2.gz GOBIFWFHSZTVNO-UHFFFAOYSA-N 1 0 380.798 2.540 20 0 GFADRO C[C@H]1CCC[N@@H+]1CCNC(=O)c1cc(=O)c2cc(Br)ccc2o1 ZINC000842252238 661330334 /nfs/dbraw/zinc/33/03/34/661330334.db2.gz ZHEHQDOVGCTXGD-NSHDSACASA-N 1 0 379.254 2.770 20 0 GFADRO C[NH2+]C[C@H](C)c1noc(-c2ccc(S(=O)(=O)N3CCC(C)CC3)s2)n1 ZINC000842582391 661344383 /nfs/dbraw/zinc/34/43/83/661344383.db2.gz IKAZJSPOTQQSKY-LBPRGKRZSA-N 1 0 384.527 2.542 20 0 GFADRO O=C1[C@H](c2nc([C@H]3CCC[NH2+]C3)no2)CCN1c1cccc(Br)c1 ZINC000842664370 661347970 /nfs/dbraw/zinc/34/79/70/661347970.db2.gz CYVFRKROHQFZSB-FZMZJTMJSA-N 1 0 391.269 2.820 20 0 GFADRO C[C@@H](NC(=O)c1ccc(Br)s1)c1nc([C@@H]2CCC[NH2+]C2)no1 ZINC000842665621 661348193 /nfs/dbraw/zinc/34/81/93/661348193.db2.gz RPMAGPUPKOKMAU-RKDXNWHRSA-N 1 0 385.287 2.852 20 0 GFADRO COC(=O)c1cc(S(=O)(=O)N2CCCC[C@H]2[C@H](C)[NH3+])c(Cl)cc1Cl ZINC000842690400 661349610 /nfs/dbraw/zinc/34/96/10/661349610.db2.gz SBHWZGWLDIJLHV-ZANVPECISA-N 1 0 395.308 2.670 20 0 GFADRO COCCC(=O)N1CCC([NH2+]Cc2cc(Br)cnc2Cl)CC1 ZINC000842692176 661349792 /nfs/dbraw/zinc/34/97/92/661349792.db2.gz QVDHJUWLINARSN-UHFFFAOYSA-N 1 0 390.709 2.615 20 0 GFADRO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N[C@@](C)(C[NH3+])CC(C)C ZINC000842722419 661351035 /nfs/dbraw/zinc/35/10/35/661351035.db2.gz GLCVKKYEJPOGLV-SUMWQHHRSA-N 1 0 392.949 2.796 20 0 GFADRO Cc1c(S(=O)(=O)N(C)C2CCC([NH3+])CC2)cnn1-c1ccc(Cl)cc1 ZINC000842737461 661351805 /nfs/dbraw/zinc/35/18/05/661351805.db2.gz UJFWGKHYHUXXFW-UHFFFAOYSA-N 1 0 382.917 2.725 20 0 GFADRO CSc1ccc2c(c1)[C@@H]([NH2+]C1CCN(CCS(C)(=O)=O)CC1)CCC2 ZINC000842842727 661356927 /nfs/dbraw/zinc/35/69/27/661356927.db2.gz ZZZRWDYSRAEPHC-IBGZPJMESA-N 1 0 382.595 2.885 20 0 GFADRO O=S(=O)(/C=C\c1ccccc1Br)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000842859864 661357494 /nfs/dbraw/zinc/35/74/94/661357494.db2.gz ANQHECMZOLYQQU-BCTQVIJGSA-N 1 0 385.327 2.825 20 0 GFADRO CC(=O)c1cc(S(=O)(=O)N2CCCC[C@H]2CC[NH3+])ccc1Br ZINC000842859504 661357548 /nfs/dbraw/zinc/35/75/48/661357548.db2.gz IYWSGWYRPNCYAN-LBPRGKRZSA-N 1 0 389.315 2.544 20 0 GFADRO O=S(=O)(/C=C\c1ccc(Br)cc1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000842861115 661357554 /nfs/dbraw/zinc/35/75/54/661357554.db2.gz RORCFISWWYTTRS-BDJZEXMMSA-N 1 0 385.327 2.825 20 0 GFADRO CC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000842876201 661358459 /nfs/dbraw/zinc/35/84/59/661358459.db2.gz RIKWIKYSFUXQLT-HZPDHXFCSA-N 1 0 384.929 2.943 20 0 GFADRO [NH3+]CCCCCCNS(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC000842913378 661360224 /nfs/dbraw/zinc/36/02/24/661360224.db2.gz AMBAMIYWCQTVHZ-CQSZACIVSA-N 1 0 390.933 2.553 20 0 GFADRO [NH3+]CCCCCCNC(=O)C(=O)Nc1cc(F)c(Br)c(Cl)c1 ZINC000843052668 661365278 /nfs/dbraw/zinc/36/52/78/661365278.db2.gz CRBJSLGUXHTQFH-UHFFFAOYSA-N 1 0 394.672 2.815 20 0 GFADRO Cc1nn(-c2cccc(Cl)c2)c(Cl)c1CN(C)CCN1CC[NH2+]CC1 ZINC000843052584 661365377 /nfs/dbraw/zinc/36/53/77/661365377.db2.gz NZBMHXDJKKBACG-UHFFFAOYSA-N 1 0 382.339 2.825 20 0 GFADRO C[C@](O)(C[NH2+]C[C@@H](O)C(F)(F)F)c1ccc(Br)cc1Cl ZINC000843062955 661365694 /nfs/dbraw/zinc/36/56/94/661365694.db2.gz OUCMRSHJPOWZRB-MNOVXSKESA-N 1 0 376.600 2.823 20 0 GFADRO COc1cc(OC)cc([C@@H](O)C[NH2+]C[C@H](O)c2cccc(Br)c2)c1 ZINC000843071084 661366359 /nfs/dbraw/zinc/36/63/59/661366359.db2.gz YLKZXQNVNHAIAU-ROUUACIJSA-N 1 0 396.281 2.823 20 0 GFADRO Cc1ccccc1[C@H](O)C[NH2+]C[C@H](O)COc1cccc(Br)c1 ZINC000843073157 661366405 /nfs/dbraw/zinc/36/64/05/661366405.db2.gz GKWZLAUZXKJEML-MAUKXSAKSA-N 1 0 380.282 2.820 20 0 GFADRO COc1ccc([C@@H](CO)C[NH2+]C[C@@H](O)c2ccc(F)c(Br)c2)cc1 ZINC000843093180 661367449 /nfs/dbraw/zinc/36/74/49/661367449.db2.gz DUJJNRSIBSTEIV-RDTXWAMCSA-N 1 0 398.272 2.996 20 0 GFADRO C[C@](O)(C[NH2+]C[C@@]1(CCO)CCOC1)c1ccc(Br)cc1Cl ZINC000843102696 661368074 /nfs/dbraw/zinc/36/80/74/661368074.db2.gz YFDQYVHFUHRYOW-JKSUJKDBSA-N 1 0 392.721 2.689 20 0 GFADRO Cc1ccc([C@@H](O)C[NH2+]C[C@@H](O)COc2ccc(Br)cc2)cc1 ZINC000843109068 661368264 /nfs/dbraw/zinc/36/82/64/661368264.db2.gz XJRIOEIITAWSEM-AEFFLSMTSA-N 1 0 380.282 2.820 20 0 GFADRO OC[C@@H](C[NH2+]C[C@@H](O)c1ccc(Br)cc1)Cc1ccncc1Cl ZINC000843110776 661368542 /nfs/dbraw/zinc/36/85/42/661368542.db2.gz HMZMMFVVDNVICF-SJKOYZFVSA-N 1 0 399.716 2.972 20 0 GFADRO C[C@](O)(C[NH2+]C[C@H](CO)[C@@H]1CCOC1)c1ccc(Br)cc1Cl ZINC000843112885 661368921 /nfs/dbraw/zinc/36/89/21/661368921.db2.gz WPYSYNMRYZWGNX-HSMVNMDESA-N 1 0 392.721 2.545 20 0 GFADRO O[C@@H](C[NH2+]C[C@@H](O)c1cccc(Br)c1)COCc1cccs1 ZINC000843113222 661368990 /nfs/dbraw/zinc/36/89/90/661368990.db2.gz PMJYWNVVDOTGET-GOEBONIOSA-N 1 0 386.311 2.711 20 0 GFADRO OCC1([C@@H]([NH2+]C[C@H](O)c2ccccc2Br)C2CC2)CCOCC1 ZINC000843115758 661369302 /nfs/dbraw/zinc/36/93/02/661369302.db2.gz RRTFXVKODAPDPO-IRXDYDNUSA-N 1 0 384.314 2.640 20 0 GFADRO Cn1cc([C@H]([NH2+]C[C@@H](O)c2ccc(Br)cc2)C2(CO)CCC2)cn1 ZINC000843119539 661370095 /nfs/dbraw/zinc/37/00/95/661370095.db2.gz VQEVAGBNPABDRP-SJORKVTESA-N 1 0 394.313 2.710 20 0 GFADRO Cc1ccc(S(=O)(=O)N2CCC[C@H](c3nc([C@H]([NH3+])C(C)C)no3)C2)s1 ZINC000843150764 661370832 /nfs/dbraw/zinc/37/08/32/661370832.db2.gz DKGUZVWDNVBFDC-GXTWGEPZSA-N 1 0 384.527 2.664 20 0 GFADRO COc1ccc(Cc2noc(C[NH2+]CC3CC3)n2)c(Br)c1OC ZINC000843202286 661371981 /nfs/dbraw/zinc/37/19/81/661371981.db2.gz CSMNHQWPUGRMFR-UHFFFAOYSA-N 1 0 382.258 2.940 20 0 GFADRO C[C@]1(c2nc(-c3n[nH]c(-c4cccc(Br)c4)n3)no2)CC[NH2+]C1 ZINC000843227884 661374318 /nfs/dbraw/zinc/37/43/18/661374318.db2.gz KMDUHIPFBAWSCG-HNNXBMFYSA-N 1 0 375.230 2.535 20 0 GFADRO CSc1ccc(I)c(-c2noc(COCC[NH3+])n2)c1 ZINC000843241296 661374624 /nfs/dbraw/zinc/37/46/24/661374624.db2.gz PMGFYSVMPJLVFR-UHFFFAOYSA-N 1 0 391.234 2.538 20 0 GFADRO COc1c(Br)cc(Cl)cc1NC(=O)c1n[nH]c2c1C[NH2+]CC2 ZINC000843372077 661378809 /nfs/dbraw/zinc/37/88/09/661378809.db2.gz JOJQWQWSAZSSDL-UHFFFAOYSA-N 1 0 385.649 2.732 20 0 GFADRO C[C@@H]([NH3+])[C@H](C)NC(=O)c1ccccc1N(C)C(=O)c1ccc(Br)o1 ZINC000843487460 661383098 /nfs/dbraw/zinc/38/30/98/661383098.db2.gz PZYJIVWOXMACSX-MNOVXSKESA-N 1 0 394.269 2.784 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)CSc2nc3ccccc3s2)CC12CCOCC2 ZINC000843485601 661383184 /nfs/dbraw/zinc/38/31/84/661383184.db2.gz SPXYJAUFUNHHAE-CYBMUJFWSA-N 1 0 377.535 2.602 20 0 GFADRO Cc1nc(-c2cc3c(s2)CCN(C(=O)CO[C@H]2CCC[NH2+]C2)C3)cs1 ZINC000843495540 661383462 /nfs/dbraw/zinc/38/34/62/661383462.db2.gz UGYXLHRZWPBGQL-AWEZNQCLSA-N 1 0 377.535 2.833 20 0 GFADRO CC[N@H+](Cc1cc(Cl)cc(S(N)(=O)=O)c1)[C@@H](C)[C@H](O)c1ccccc1 ZINC000844329553 661415500 /nfs/dbraw/zinc/41/55/00/661415500.db2.gz HKNOPZVYYPDNBK-UGSOOPFHSA-N 1 0 382.913 2.931 20 0 GFADRO C[NH+](C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCc1ccc(Cl)s1 ZINC000845221636 661460808 /nfs/dbraw/zinc/46/08/08/661460808.db2.gz LNGWDRGYOWOZJF-CYBMUJFWSA-N 1 0 389.949 2.905 20 0 GFADRO C[NH+](C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)OCc1csc(Cl)n1 ZINC000845240188 661462936 /nfs/dbraw/zinc/46/29/36/661462936.db2.gz SSWWWXFBNXXDCB-NSHDSACASA-N 1 0 377.894 2.685 20 0 GFADRO C[C@@]1(CCNC(=O)N2CCC(CC[NH+]3CCOCC3)CC2)C[C@@]1(F)Cl ZINC000845403076 661469187 /nfs/dbraw/zinc/46/91/87/661469187.db2.gz UYYIXAJHZOPFGC-MSOLQXFVSA-N 1 0 375.916 2.835 20 0 GFADRO C[C@@H](C[NH+]1CCCC1)OC(=O)[C@@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000845671961 661487735 /nfs/dbraw/zinc/48/77/35/661487735.db2.gz GOUIMZFBJNVDMK-UONOGXRCSA-N 1 0 395.297 2.830 20 0 GFADRO C[N@H+](CCO)Cc1cc(NCc2ncc(C3OCCO3)s2)ccc1Cl ZINC000846062132 661528534 /nfs/dbraw/zinc/52/85/34/661528534.db2.gz ZUHUTFRPNUXTEH-UHFFFAOYSA-N 1 0 383.901 2.878 20 0 GFADRO CN(CCC[N@H+](C)Cc1ccncc1)C(=O)Cc1cccnc1Br ZINC000846174701 661535122 /nfs/dbraw/zinc/53/51/22/661535122.db2.gz PCKJMKZKXHXBHT-UHFFFAOYSA-N 1 0 391.313 2.762 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(S(=O)(=O)/C=C\c3ccccc3Cl)C2)C1 ZINC000846232640 661539598 /nfs/dbraw/zinc/53/95/98/661539598.db2.gz XGZLRYOHDSKGIX-LISJZSFKSA-N 1 0 384.929 2.859 20 0 GFADRO C[NH+](C)CC[C@@H](N)C(=O)NCC(C)(C)Sc1ccc(Br)cc1 ZINC000846672823 661561429 /nfs/dbraw/zinc/56/14/29/661561429.db2.gz OQYSCPKSWQLZDF-CQSZACIVSA-N 1 0 388.375 2.715 20 0 GFADRO O=C([C@@H]1CCOc2ccc(Br)cc21)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000846682129 661561682 /nfs/dbraw/zinc/56/16/82/661561682.db2.gz YHKILGLPTRROMI-KDOFPFPSSA-N 1 0 379.298 2.917 20 0 GFADRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)NCC[C@]1(C)C[C@]1(F)Cl ZINC000846727316 661563154 /nfs/dbraw/zinc/56/31/54/661563154.db2.gz SKDDSWKZRZIDBU-ZTFGCOKTSA-N 1 0 375.916 2.578 20 0 GFADRO CN(CCC[NH+]1CCCC1)C(=O)[C@]1(C)CC1(Br)Br ZINC000847099983 661576386 /nfs/dbraw/zinc/57/63/86/661576386.db2.gz RWLYFPSMHKMGCD-LBPRGKRZSA-N 1 0 382.140 2.827 20 0 GFADRO C[C@H](CNC(=O)c1cc(Cl)ncc1Br)N1C[C@@H](C)O[C@@H](C)C1 ZINC000847178619 661579277 /nfs/dbraw/zinc/57/92/77/661579277.db2.gz RASWWBISSHOXDD-MXWKQRLJSA-N 1 0 390.709 2.725 20 0 GFADRO C[NH+]1CCN(c2ccc(NC(=O)c3cnc(F)c(Br)c3)cc2)CC1 ZINC000847293891 661586347 /nfs/dbraw/zinc/58/63/47/661586347.db2.gz KOTBBQBALDUDIA-UHFFFAOYSA-N 1 0 393.260 2.987 20 0 GFADRO C[NH+]1CCN(c2ccccc2NC(=O)c2nc(F)ccc2Br)CC1 ZINC000847311484 661587041 /nfs/dbraw/zinc/58/70/41/661587041.db2.gz XJEWQENGOFEUND-UHFFFAOYSA-N 1 0 393.260 2.987 20 0 GFADRO C[NH+](C)C[C@H]1CN(C(=O)c2cnc(F)c(Br)c2)c2ccccc2O1 ZINC000847573859 661598303 /nfs/dbraw/zinc/59/83/03/661598303.db2.gz SDELGAUBYUOQHI-LBPRGKRZSA-N 1 0 394.244 2.953 20 0 GFADRO COCC[NH+]1CCC(OC(=O)c2cc(Br)cc(N(C)C)c2)CC1 ZINC000847886206 661615082 /nfs/dbraw/zinc/61/50/82/661615082.db2.gz QYMHPEWUCDZGGO-UHFFFAOYSA-N 1 0 385.302 2.783 20 0 GFADRO COCC[NH+]1CCC(OC(=O)[C@@H]2CCOc3ccc(Br)cc32)CC1 ZINC000847886314 661615410 /nfs/dbraw/zinc/61/54/10/661615410.db2.gz AZNWOSGJGRHDNT-OAHLLOKOSA-N 1 0 398.297 2.969 20 0 GFADRO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]C[C@@H]1CN(C2CC2)C(=O)O1 ZINC000848570811 661665285 /nfs/dbraw/zinc/66/52/85/661665285.db2.gz NXXZYWSTWOIEKV-IAQYHMDHSA-N 1 0 396.285 2.739 20 0 GFADRO C[C@@H](C[NH2+]C[C@@H](O)c1ccc(F)c(Br)c1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000848676610 661672160 /nfs/dbraw/zinc/67/21/60/661672160.db2.gz PNZXDXBEOPIUNS-APNQJHFZSA-N 1 0 389.309 2.709 20 0 GFADRO COc1ccc(OC)c(NC(=[NH2+])NCCCn2cc(Br)cn2)c1 ZINC000849078292 661690815 /nfs/dbraw/zinc/69/08/15/661690815.db2.gz YGXXQIWJAXVVIU-UHFFFAOYSA-N 1 0 382.262 2.689 20 0 GFADRO C[C@H]1CN(C(=[NH2+])NCC2(c3ccc(Br)cc3)CCOCC2)CCO1 ZINC000849094911 661691469 /nfs/dbraw/zinc/69/14/69/661691469.db2.gz UFSUHSNNKZMJAE-AWEZNQCLSA-N 1 0 396.329 2.742 20 0 GFADRO COc1ccc(CCNC(=[NH2+])NC[C@@H](O)c2ccccc2Br)cc1 ZINC000849110059 661692460 /nfs/dbraw/zinc/69/24/60/661692460.db2.gz QJURYHVIOHAHJP-QGZVFWFLSA-N 1 0 392.297 2.848 20 0 GFADRO COc1cncc(C[NH2+]CCCNC(=O)c2cccc(Br)c2)c1 ZINC000850110586 661765377 /nfs/dbraw/zinc/76/53/77/661765377.db2.gz UUDGBERNLJKOGL-UHFFFAOYSA-N 1 0 378.270 2.762 20 0 GFADRO C[C@@H]([NH2+]CC[S@@](=O)CC(F)(F)F)c1ccc(-n2cncn2)cc1Cl ZINC000850491065 661778678 /nfs/dbraw/zinc/77/86/78/661778678.db2.gz KRMQOOOKQNIMLC-VKTRGTBVSA-N 1 0 380.823 2.882 20 0 GFADRO [NH3+]CC12CC(C1)CN2C(=O)Nc1cnc(Br)c(Br)c1 ZINC000850731109 661788953 /nfs/dbraw/zinc/78/89/53/661788953.db2.gz ZFAWGLUGTZIDLM-UHFFFAOYSA-N 1 0 390.079 2.562 20 0 GFADRO C[C@@]1(C(=O)N2C[C@H]([NH3+])Cc3ccccc32)CC1(Br)Br ZINC000851640641 661827486 /nfs/dbraw/zinc/82/74/86/661827486.db2.gz AFOOHIOPZQPVAL-MFKMUULPSA-N 1 0 388.103 2.799 20 0 GFADRO CCOC(=O)Nc1ccc(Br)cc1NC(=O)[C@@H]([NH3+])COC(C)C ZINC000851638160 661827529 /nfs/dbraw/zinc/82/75/29/661827529.db2.gz ZSOSAUDIJHWKPA-NSHDSACASA-N 1 0 388.262 2.708 20 0 GFADRO O=C(NCC1(Cc2ccc(Br)cc2)CC1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000851675244 661828208 /nfs/dbraw/zinc/82/82/08/661828208.db2.gz PPXZFOUWYGGPMS-ZBFHGGJFSA-N 1 0 378.314 2.775 20 0 GFADRO CCOP(=O)(OCC)[C@@H](O)C[N@@H+]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000851747888 661830309 /nfs/dbraw/zinc/83/03/09/661830309.db2.gz LKFUUEHVUMBFHY-CQSZACIVSA-N 1 0 380.422 2.514 20 0 GFADRO CC1(C)OC[C@@H](C[N@@H+]2CCC[C@@H](C(=O)Nc3ccc(Br)cn3)C2)O1 ZINC000851825732 661835438 /nfs/dbraw/zinc/83/54/38/661835438.db2.gz QCKHGDDRNHZTJK-TZMCWYRMSA-N 1 0 398.301 2.646 20 0 GFADRO CC[C@](C)(COc1ncccc1Cl)[NH2+]CCn1cnc(Br)n1 ZINC000851861284 661839840 /nfs/dbraw/zinc/83/98/40/661839840.db2.gz OTGCWRSGPSUBLQ-CQSZACIVSA-N 1 0 388.697 2.926 20 0 GFADRO CN(C)c1ccc(C2CC[NH+](CCn3cnc(Br)n3)CC2)cc1 ZINC000851952011 661846838 /nfs/dbraw/zinc/84/68/38/661846838.db2.gz SCJNNVJADACHCT-UHFFFAOYSA-N 1 0 378.318 2.986 20 0 GFADRO C[N@H+](CCSc1ccc(F)cc1F)C[C@H](O)CNC(=O)OC(C)(C)C ZINC000852105188 661852843 /nfs/dbraw/zinc/85/28/43/661852843.db2.gz UGJCBWKMVXTJTK-CYBMUJFWSA-N 1 0 376.469 2.874 20 0 GFADRO C[N@H+](C[C@H](O)c1cccc(Br)c1)[C@@H]1C[C@H]2CCCC[C@H]2NC1=O ZINC000852171716 661855755 /nfs/dbraw/zinc/85/57/55/661855755.db2.gz LPNGHBBDLXAQCC-YYQUZTFQSA-N 1 0 381.314 2.862 20 0 GFADRO O=C(NC[C@@H]1CC[N@@H+]1Cc1ccccc1)N[C@@H]1CC[C@@H]2SCCS[C@@H]12 ZINC000852231224 661857281 /nfs/dbraw/zinc/85/72/81/661857281.db2.gz KUETWAUHQNQJAL-MHORFTMASA-N 1 0 377.579 2.940 20 0 GFADRO COc1ccc([C@H](CNC(=O)NCC2SCCS2)[NH+]2CCCC2)cc1 ZINC000852663740 661869801 /nfs/dbraw/zinc/86/98/01/661869801.db2.gz MYPGDGLOJGDFKU-INIZCTEOSA-N 1 0 381.567 2.937 20 0 GFADRO COC(=O)NC1CC[NH+](C[C@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000852770306 661874188 /nfs/dbraw/zinc/87/41/88/661874188.db2.gz JZCNOAKPZSWDPT-LBPRGKRZSA-N 1 0 377.268 2.554 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)c2cnn(-c3ccccc3)c2Br)C1 ZINC000852800322 661874678 /nfs/dbraw/zinc/87/46/78/661874678.db2.gz XKTMGOZKHFBGEQ-QWHCGFSZSA-N 1 0 377.286 2.834 20 0 GFADRO C[C@]1(C(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)CC1(Br)Br ZINC000852874878 661876089 /nfs/dbraw/zinc/87/60/89/661876089.db2.gz VLALHPKGNPYLAX-WCQYABFASA-N 1 0 394.151 2.873 20 0 GFADRO C[C@H]([NH2+]C1CC1)C(=O)NCc1cc(Cl)ccc1I ZINC000852844572 661875754 /nfs/dbraw/zinc/87/57/54/661875754.db2.gz WWCXBHIMAQMCTQ-QMMMGPOBSA-N 1 0 378.641 2.701 20 0 GFADRO [NH3+]C[C@@H]1CC(C(=O)N2CCc3sccc3[C@@H]2c2ccc(Cl)cc2)=NO1 ZINC000852910765 661877038 /nfs/dbraw/zinc/87/70/38/661877038.db2.gz IQYCHUTVEZZKBI-GUYCJALGSA-N 1 0 375.881 2.979 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CNC(=S)NC[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC000853033087 661879178 /nfs/dbraw/zinc/87/91/78/661879178.db2.gz ZESYIAKTECPNMQ-SWLSCSKDSA-N 1 0 376.353 2.975 20 0 GFADRO CCNS(=O)(=O)CC[NH2+][C@@H]1CCCSc2ccc(Br)cc21 ZINC000853235069 661885663 /nfs/dbraw/zinc/88/56/63/661885663.db2.gz FLGGULAGMOKKMU-CYBMUJFWSA-N 1 0 393.372 2.905 20 0 GFADRO Brc1ccc(-c2cnn(C[N@@H+]3CC[C@H](Cn4ccnn4)C3)c2)cc1 ZINC000853523198 661890838 /nfs/dbraw/zinc/89/08/38/661890838.db2.gz GRMGWZFGJKSMPR-AWEZNQCLSA-N 1 0 387.285 2.884 20 0 GFADRO CN(CC1C[NH+](C)C1)Cn1nc(COc2ccccc2Cl)n(C)c1=S ZINC000853556208 661892361 /nfs/dbraw/zinc/89/23/61/661892361.db2.gz ZRMKNJVMYZLTKT-UHFFFAOYSA-N 1 0 381.933 2.634 20 0 GFADRO CCC[NH+]1CCC(NC(=O)[C@@]2(C)CC2(Br)Br)CC1 ZINC000854273366 661921740 /nfs/dbraw/zinc/92/17/40/661921740.db2.gz YGHJOBUILLWXKO-GFCCVEGCSA-N 1 0 382.140 2.873 20 0 GFADRO C[N@@H+]1CCC[C@H](CCNC(=O)c2ccc(C(F)(F)Br)nc2)C1 ZINC000854913289 661960842 /nfs/dbraw/zinc/96/08/42/661960842.db2.gz NQAXQGRODWOLEZ-LLVKDONJSA-N 1 0 376.245 2.988 20 0 GFADRO CCN(C(=O)COc1ccc(C=O)cc1Br)[C@@H]1CC[N@H+](CC)C1 ZINC000855491546 661993479 /nfs/dbraw/zinc/99/34/79/661993479.db2.gz SRFPAYWCWXWQBM-CQSZACIVSA-N 1 0 383.286 2.583 20 0 GFADRO COC(=O)[C@@H](NC(=O)C1CC[NH+](C2CC2)CC1)c1ccccc1Br ZINC000855698898 662004694 /nfs/dbraw/zinc/00/46/94/662004694.db2.gz VHOCQZJTBYQVJI-INIZCTEOSA-N 1 0 395.297 2.654 20 0 GFADRO CC(C)[C@@H]1CN(C(=O)c2cnn(-c3ccccc3)c2Br)CC[NH2+]1 ZINC000856490225 662036058 /nfs/dbraw/zinc/03/60/58/662036058.db2.gz YDIFGAIQCJTPGM-HNNXBMFYSA-N 1 0 377.286 2.705 20 0 GFADRO C[C@H]([NH2+]CCS(=O)(=O)C1CCCCC1)C1CCN(CC(F)(F)F)CC1 ZINC000856741270 662040259 /nfs/dbraw/zinc/04/02/59/662040259.db2.gz IHDQNUMIKHTSFV-AWEZNQCLSA-N 1 0 384.508 2.986 20 0 GFADRO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000857009250 662057985 /nfs/dbraw/zinc/05/79/85/662057985.db2.gz XKCSHVBAOVYDGT-ADLMAVQZSA-N 1 0 391.265 2.817 20 0 GFADRO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000857009252 662058006 /nfs/dbraw/zinc/05/80/06/662058006.db2.gz XKCSHVBAOVYDGT-VOJFVSQTSA-N 1 0 391.265 2.817 20 0 GFADRO COc1cc(CONC(=[NH2+])[C@@H]2COc3ccccc3O2)c(Br)cn1 ZINC000857243518 662069312 /nfs/dbraw/zinc/06/93/12/662069312.db2.gz MUTMDJCJDOJMAQ-AWEZNQCLSA-N 1 0 394.225 2.691 20 0 GFADRO C[NH+](C)CCCC(C)(C)NC(=O)CCN1C(=S)N=NC1c1cccs1 ZINC000857277584 662071732 /nfs/dbraw/zinc/07/17/32/662071732.db2.gz HYIAUAAAWWNRNM-UHFFFAOYSA-N 1 0 381.571 2.922 20 0 GFADRO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)c1cccnc1I ZINC000857327579 662073427 /nfs/dbraw/zinc/07/34/27/662073427.db2.gz UIWVCGYBSKIGLQ-LBPRGKRZSA-N 1 0 387.265 2.536 20 0 GFADRO CC(C)[N@@H+]1CC[C@H](C(=O)NCC[C@H]2CC2(Cl)Cl)[C@@H](c2cnn(C)c2)C1 ZINC000857372271 662076470 /nfs/dbraw/zinc/07/64/70/662076470.db2.gz SCSYQPFZPYDCQM-HRCADAONSA-N 1 0 387.355 2.934 20 0 GFADRO Cc1ccn(CC(=O)N2C[C@H]([NH+](C)C)CCc3cc(Br)ccc32)n1 ZINC000857880091 662093147 /nfs/dbraw/zinc/09/31/47/662093147.db2.gz BMGFXFVXVAZBDW-MRXNPFEDSA-N 1 0 391.313 2.864 20 0 GFADRO O=C1OCCN1CCC[NH2+]Cc1c[nH]nc1-c1ccc(Br)s1 ZINC000858123856 662099668 /nfs/dbraw/zinc/09/96/68/662099668.db2.gz KUGOHHBNOMJWTL-UHFFFAOYSA-N 1 0 385.287 2.833 20 0 GFADRO CC(C)(C)OC(=O)NCC[NH2+][C@@]1(CO)CCc2cc(Br)ccc2C1 ZINC000858240737 662105858 /nfs/dbraw/zinc/10/58/58/662105858.db2.gz RNNGUFSTINYBHZ-SFHVURJKSA-N 1 0 399.329 2.783 20 0 GFADRO C[C@@H]([NH2+][C@@H](C)c1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccns1 ZINC000858578245 662115436 /nfs/dbraw/zinc/11/54/36/662115436.db2.gz OXJFETAJESHTTH-UONOGXRCSA-N 1 0 381.523 2.576 20 0 GFADRO CC(=O)c1ccc(Cl)c(S(=O)(=O)N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)c1 ZINC000858623463 662117067 /nfs/dbraw/zinc/11/70/67/662117067.db2.gz JLTREOLRVIWQDG-NEPJUHHUSA-N 1 0 398.834 2.690 20 0 GFADRO CC[C@H](C(=O)N[C@H](C)CN1CC[NH+](C)CC1)c1ccc(Br)cc1 ZINC000859262063 662148728 /nfs/dbraw/zinc/14/87/28/662148728.db2.gz IRCUEYROYALWMW-PBHICJAKSA-N 1 0 382.346 2.695 20 0 GFADRO O=S(=O)(NC[C@@H]1CC[N@@H+]1C1CCCCC1)c1cncc(Br)c1 ZINC000859276660 662149250 /nfs/dbraw/zinc/14/92/50/662149250.db2.gz MHPQKUNCVZJPLC-AWEZNQCLSA-N 1 0 388.331 2.529 20 0 GFADRO O=S(=O)(NC[C@@H]1CC[N@@H+]1C1CCCC1)c1ccc2nc(Cl)cnc2c1 ZINC000859348534 662155357 /nfs/dbraw/zinc/15/53/57/662155357.db2.gz RFYCQTOGGPPEAP-ZDUSSCGKSA-N 1 0 380.901 2.578 20 0 GFADRO CC[C@@H](C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1)c1ccc(Br)cc1 ZINC000859360223 662156599 /nfs/dbraw/zinc/15/65/99/662156599.db2.gz BAKODUCVHUNEFH-MAUKXSAKSA-N 1 0 396.373 2.942 20 0 GFADRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)c2cc(Br)cc(C=O)c2)C1 ZINC000859805623 662175618 /nfs/dbraw/zinc/17/56/18/662175618.db2.gz WCRLWSBBSZKYSY-QGZVFWFLSA-N 1 0 397.313 2.835 20 0 GFADRO COCC[N@@H+]1CCC[C@H]1COC(=O)[C@H](OC)c1ccccc1Br ZINC000861037258 662225057 /nfs/dbraw/zinc/22/50/57/662225057.db2.gz ROQBWLFXVIBZFA-XJKSGUPXSA-N 1 0 386.286 2.791 20 0 GFADRO CO[C@H]1C[N@H+](C)[C@@](C)(COC(=O)COc2ccc(F)cc2Br)C1 ZINC000861342082 662241467 /nfs/dbraw/zinc/24/14/67/662241467.db2.gz USQHNIGQYUSMFD-MLGOLLRUSA-N 1 0 390.249 2.619 20 0 GFADRO CO[C@H]1C[N@H+](C)[C@](C)(COC(=O)COc2ccc(F)cc2Br)C1 ZINC000861342084 662241523 /nfs/dbraw/zinc/24/15/23/662241523.db2.gz USQHNIGQYUSMFD-WBMJQRKESA-N 1 0 390.249 2.619 20 0 GFADRO C[C@@H](CNC(=O)C(=O)Nc1cccc(SC(F)(F)F)c1)[N@H+](C)C1CC1 ZINC000861751800 662257626 /nfs/dbraw/zinc/25/76/26/662257626.db2.gz ZGIBITYPDDBUJJ-JTQLQIEISA-N 1 0 375.416 2.836 20 0 GFADRO C[NH+](C)[C@H]1CCCN(C(=O)C(=O)Nc2cccc(SC(F)(F)F)c2)C1 ZINC000861770533 662258168 /nfs/dbraw/zinc/25/81/68/662258168.db2.gz MUVQYBMUUKEXDA-LBPRGKRZSA-N 1 0 375.416 2.790 20 0 GFADRO CCC[N@H+](CC)C[C@H](C)NC(=O)c1cc(Br)c2ncc(C=O)n2c1 ZINC000861782911 662258542 /nfs/dbraw/zinc/25/85/42/662258542.db2.gz ODSSXZIKIDXLED-LBPRGKRZSA-N 1 0 395.301 2.760 20 0 GFADRO Cc1nc(Br)sc1C(=O)N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000861985851 662265643 /nfs/dbraw/zinc/26/56/43/662265643.db2.gz DQRHACDPKSKXAF-UHFFFAOYSA-N 1 0 388.331 2.541 20 0 GFADRO O=C([C@@H](O)c1ccc(Cl)c(Cl)c1)N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000861987071 662265720 /nfs/dbraw/zinc/26/57/20/662265720.db2.gz VJWBQWDORGUNDL-KRWDZBQOSA-N 1 0 387.307 2.740 20 0 GFADRO C[C@]1(Br)C[C@@H]1C(=O)N1CCO[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000862128176 662270054 /nfs/dbraw/zinc/27/00/54/662270054.db2.gz APWOLVPWTXRQCT-NTDBWNAOSA-N 1 0 393.325 2.662 20 0 GFADRO CC[C@](C[NH2+]Cc1cn(C)nc1Br)(C(=O)OC)c1ccccc1 ZINC000862396678 662284897 /nfs/dbraw/zinc/28/48/97/662284897.db2.gz WCPJQDHUOCLMNI-QGZVFWFLSA-N 1 0 380.286 2.793 20 0 GFADRO COC(=O)C1=CC[C@H]([NH2+]Cc2ccc(Br)cc2N2CCOCC2)C1 ZINC000862465781 662288474 /nfs/dbraw/zinc/28/84/74/662288474.db2.gz LHMSJTXWSMTKBD-INIZCTEOSA-N 1 0 395.297 2.637 20 0 GFADRO COC(=O)NCCCC(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000863038045 662309350 /nfs/dbraw/zinc/30/93/50/662309350.db2.gz QYUMZHATBQJIPA-CQSZACIVSA-N 1 0 376.284 2.849 20 0 GFADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=S)Nc1cc(Cl)cc(Cl)c1 ZINC000863212162 662315147 /nfs/dbraw/zinc/31/51/47/662315147.db2.gz QPGNUTAUNYGUNF-ZDUSSCGKSA-N 1 0 375.325 2.620 20 0 GFADRO C[C@@H]([NH3+])CN(C)CC(=O)Nc1ccc(Oc2ccc(Br)cc2)nc1 ZINC000863567095 662336872 /nfs/dbraw/zinc/33/68/72/662336872.db2.gz BUEJMKDTIYBAQX-GFCCVEGCSA-N 1 0 393.285 2.854 20 0 GFADRO O[C@H](C[N@@H+]1CCC[C@@H]1Cc1ccc(Br)cc1)CC1(O)CCOCC1 ZINC000863968654 662351624 /nfs/dbraw/zinc/35/16/24/662351624.db2.gz LNGMJKGUEISVHM-MSOLQXFVSA-N 1 0 398.341 2.749 20 0 GFADRO C/C(=C\c1ccc(Br)o1)C(=O)N1CCOC2(CC[NH+](C)CC2)C1 ZINC000864064810 662353243 /nfs/dbraw/zinc/35/32/43/662353243.db2.gz BOTDOFCTUYGAOV-ACCUITESSA-N 1 0 383.286 2.769 20 0 GFADRO C[NH+](C)[C@@H]1C[C@H](NC(=O)[C@]2(C)CC2(Br)Br)C12CCC2 ZINC000864069798 662353512 /nfs/dbraw/zinc/35/35/12/662353512.db2.gz IEBMAFZTRYCQHT-UMNHJUIQSA-N 1 0 394.151 2.872 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)c2cc(Br)cnc2F)CC[C@@H]1C(F)(F)F ZINC000864086950 662354077 /nfs/dbraw/zinc/35/40/77/662354077.db2.gz LVSRLSDLPVKMIR-XVKPBYJWSA-N 1 0 384.171 2.583 20 0 GFADRO CC(C)n1ncc(C(=O)NCCC[N@H+](C)C(C)C)c1I ZINC000864859139 662388792 /nfs/dbraw/zinc/38/87/92/662388792.db2.gz SSAXRUKAEOSYEX-UHFFFAOYSA-N 1 0 392.285 2.529 20 0 GFADRO CC[NH+]1CCN(CCCNC(=O)/C=C\c2ccsc2C(F)(F)F)CC1 ZINC000864865850 662388927 /nfs/dbraw/zinc/38/89/27/662388927.db2.gz JQXZGJICAOLZBD-PLNGDYQASA-N 1 0 375.460 2.924 20 0 GFADRO Cc1ccnc(C[NH2+]CCCNC(=O)c2cccc(O)c2)c1Br ZINC000865441441 662421689 /nfs/dbraw/zinc/42/16/89/662421689.db2.gz FAKAWMYHCHWYOZ-UHFFFAOYSA-N 1 0 378.270 2.768 20 0 GFADRO OC[C@H]1CCN(Cc2ccccc2)C[C@@H]1[NH2+]Cc1cccnc1Br ZINC000865470202 662423304 /nfs/dbraw/zinc/42/33/04/662423304.db2.gz GPUNNOWGLAGCSW-MSOLQXFVSA-N 1 0 390.325 2.817 20 0 GFADRO CC(C)(C)OC(=O)N[C@H](C[NH2+]CCc1cn2c(n1)SCC2)CC(F)F ZINC000865530580 662427240 /nfs/dbraw/zinc/42/72/40/662427240.db2.gz NKBXDPHUOQXVEU-LBPRGKRZSA-N 1 0 376.473 2.669 20 0 GFADRO COc1ncc(Br)cc1C[NH2+]C[C@H]1CCC2(CCOCC2)[C@@H]1O ZINC000865558557 662429220 /nfs/dbraw/zinc/42/92/20/662429220.db2.gz SJEUPBAZQMOKBI-IUODEOHRSA-N 1 0 385.302 2.510 20 0 GFADRO Cn1ncc2cc(C[NH2+][C@H](CO)c3ccc(Br)c(F)c3)cnc21 ZINC000865577339 662430462 /nfs/dbraw/zinc/43/04/62/662430462.db2.gz JDRBPUNELXWOQG-OAHLLOKOSA-N 1 0 379.233 2.693 20 0 GFADRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]Cc2ccnc(Cl)c2Cl)[C@H](O)C1 ZINC000865747232 662440911 /nfs/dbraw/zinc/44/09/11/662440911.db2.gz MUNDZBQNXJGQEF-NWDGAFQWSA-N 1 0 376.284 2.848 20 0 GFADRO Ic1cccc(C[NH2+]C[C@H]2CC3(CO2)CCOCC3)c1 ZINC000865779853 662443123 /nfs/dbraw/zinc/44/31/23/662443123.db2.gz PRHOWHXOWBYXKT-OAHLLOKOSA-N 1 0 387.261 2.967 20 0 GFADRO C/C(=C\c1ccc(Br)o1)C(=O)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000865799285 662444153 /nfs/dbraw/zinc/44/41/53/662444153.db2.gz NHVYIWBUQGLOKH-BUHFOSPRSA-N 1 0 398.345 2.930 20 0 GFADRO O=S(=O)(N1CCC(C[NH2+][C@H]2CCCc3ncccc32)CC1)C(F)(F)F ZINC000866265700 662466109 /nfs/dbraw/zinc/46/61/09/662466109.db2.gz QHPTYPBXFDURGF-HNNXBMFYSA-N 1 0 377.432 2.610 20 0 GFADRO COc1cc([C@H](C)[NH2+][C@H](C)[C@H](O)C(F)(F)F)ccc1S(=O)(=O)C(F)F ZINC000866464535 662474843 /nfs/dbraw/zinc/47/48/43/662474843.db2.gz KMHMFAFNWZSRRB-SXMVTHIZSA-N 1 0 391.358 2.654 20 0 GFADRO C[C@H](NS(=O)(=O)c1cc(Br)sc1Cl)C1CC[NH2+]CC1 ZINC000866813070 662501063 /nfs/dbraw/zinc/50/10/63/662501063.db2.gz LKMBTJCTTPYSEE-ZETCQYMHSA-N 1 0 387.752 2.830 20 0 GFADRO O=S(=O)(c1oc2ccccc2c1Br)N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000866820002 662501877 /nfs/dbraw/zinc/50/18/77/662501877.db2.gz PAUVBEOZINSPBD-WCQYABFASA-N 1 0 399.310 2.958 20 0 GFADRO CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cnc(Cl)c(Br)c1 ZINC000867350046 662544281 /nfs/dbraw/zinc/54/42/81/662544281.db2.gz ZNGJOQZEWONKSU-UHFFFAOYSA-N 1 0 396.738 2.602 20 0 GFADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)/C=C\c1ccsc1C(F)(F)F ZINC000867479734 662552870 /nfs/dbraw/zinc/55/28/70/662552870.db2.gz UHQXZHKDAPZCJS-DHCBQETCSA-N 1 0 375.460 2.922 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(S(=O)(=O)c3cccc(Br)c3Cl)CC[C@H]21 ZINC000867809578 662578541 /nfs/dbraw/zinc/57/85/41/662578541.db2.gz SSKRACPTKDNIHY-ZYHUDNBSSA-N 1 0 393.734 2.817 20 0 GFADRO Cc1cc(S(=O)(=O)N2CC[C@@H]3[C@H](CC[N@H+]3C)C2)sc1Br ZINC000867812447 662579140 /nfs/dbraw/zinc/57/91/40/662579140.db2.gz JVSRQIFSRODLRT-GHMZBOCLSA-N 1 0 379.345 2.534 20 0 GFADRO C[NH+](C)[C@H]1CCCN(C(=O)c2ccc(I)cc2O)CC1 ZINC000867813174 662579398 /nfs/dbraw/zinc/57/93/98/662579398.db2.gz RVRUAUNHLXRQIV-LBPRGKRZSA-N 1 0 388.249 2.553 20 0 GFADRO COCCOc1cccc(CNC(=O)[C@@H]([NH3+])c2cccc(Br)c2)c1 ZINC000867951008 662588855 /nfs/dbraw/zinc/58/88/55/662588855.db2.gz JVAZAXRAQASLJK-KRWDZBQOSA-N 1 0 393.281 2.791 20 0 GFADRO CC(=O)N[C@H](C(=O)N[C@@](C)(C[NH3+])CC(C)C)c1cccc(Br)c1 ZINC000867960733 662589550 /nfs/dbraw/zinc/58/95/50/662589550.db2.gz PDDJSIRYOPSHFB-DOTOQJQBSA-N 1 0 384.318 2.506 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)[C@@H]3[C@@H]4Cc5ccc(Br)cc5[C@@H]43)C[C@@H]21 ZINC000867967418 662589791 /nfs/dbraw/zinc/58/97/91/662589791.db2.gz FFHHLULHMFDSAL-PMMWMJBOSA-N 1 0 375.310 2.921 20 0 GFADRO COCCN(Cc1cccnc1)C(=O)[C@@H]([NH3+])c1cccc(Br)c1 ZINC000867977509 662590253 /nfs/dbraw/zinc/59/02/53/662590253.db2.gz IVKTZCHDFXYPSL-INIZCTEOSA-N 1 0 378.270 2.519 20 0 GFADRO O=C(NC1CC[NH+](C2CC2)CC1)N[C@@H]1COc2cccc(Br)c2C1 ZINC000868008607 662591174 /nfs/dbraw/zinc/59/11/74/662591174.db2.gz HGGAKJSOJRLLFA-ZDUSSCGKSA-N 1 0 394.313 2.679 20 0 GFADRO COCCC1(NC(=O)c2ccc(Br)c(Cl)c2)CC[NH2+]CC1 ZINC000868043583 662592387 /nfs/dbraw/zinc/59/23/87/662592387.db2.gz NPDZSWRSULEWDA-UHFFFAOYSA-N 1 0 375.694 2.991 20 0 GFADRO COCCC1(NC(=O)c2cc(Cl)ccc2Br)CC[NH2+]CC1 ZINC000868044835 662592632 /nfs/dbraw/zinc/59/26/32/662592632.db2.gz PBJMZIXWLXQMMY-UHFFFAOYSA-N 1 0 375.694 2.991 20 0 GFADRO C[C@H]1C[C@@H]([NH3+])CN1C(=O)Nc1cnc(Br)c(Br)c1 ZINC000868131273 662595442 /nfs/dbraw/zinc/59/54/42/662595442.db2.gz CCLPPJRHOUTKHX-NKWVEPMBSA-N 1 0 378.068 2.560 20 0 GFADRO [NH3+][C@H]1C[C@@H](CNC(=O)Nc2ccnn2Cc2cccc(Br)c2)C1 ZINC000868150544 662596584 /nfs/dbraw/zinc/59/65/84/662596584.db2.gz KIRCWLLXCPNLNG-XBXGTLAGSA-N 1 0 378.274 2.553 20 0 GFADRO [NH3+]Cc1cc(NC(=O)C(=O)NCC[C@H]2CCCS2)cc(C(F)(F)F)c1 ZINC000868296109 662600841 /nfs/dbraw/zinc/60/08/41/662600841.db2.gz KALLNFMGCLACIU-CYBMUJFWSA-N 1 0 375.416 2.505 20 0 GFADRO C[C@@H](CNC(=O)NCc1cc(Cl)cc(Cl)c1F)C[NH+]1CCN(C)CC1 ZINC000868358300 662602971 /nfs/dbraw/zinc/60/29/71/662602971.db2.gz OOSONLLWUFAYTI-LBPRGKRZSA-N 1 0 391.318 2.815 20 0 GFADRO C[NH+]1CCC(N(Cc2ccccc2Br)C(=O)[C@H]2CCC(=O)O2)CC1 ZINC000868422709 662604796 /nfs/dbraw/zinc/60/47/96/662604796.db2.gz BERBRQTZYATYLL-MRXNPFEDSA-N 1 0 395.297 2.578 20 0 GFADRO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)c1cc(Br)ncc1Br ZINC000868567900 662609832 /nfs/dbraw/zinc/60/98/32/662609832.db2.gz WWWIUKPGPYWHPD-LDYMZIIASA-N 1 0 391.107 2.771 20 0 GFADRO COC[C@@H](NC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)c1cccc(Br)c1 ZINC000868751001 662617686 /nfs/dbraw/zinc/61/76/86/662617686.db2.gz YPXFOXTVHSYQLQ-UHOFOFEASA-N 1 0 384.318 2.776 20 0 GFADRO C[NH+]1CCC2(CC1)CN(C(=O)c1cc(F)c(Br)cc1F)CCO2 ZINC000869114661 662629647 /nfs/dbraw/zinc/62/96/47/662629647.db2.gz IEIMFYIOGXNJQU-UHFFFAOYSA-N 1 0 389.240 2.664 20 0 GFADRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)NCc2ncc(Br)s2)C1 ZINC000869193915 662633972 /nfs/dbraw/zinc/63/39/72/662633972.db2.gz AIIXBUHZIDJYGW-LLVKDONJSA-N 1 0 375.336 2.825 20 0 GFADRO CN(C[C@@H](O)COc1cc(Cl)cc(Cl)c1)C(=O)CCCC[NH+](C)C ZINC000869714362 662658828 /nfs/dbraw/zinc/65/88/28/662658828.db2.gz AFRFDMRPJRJULG-OAHLLOKOSA-N 1 0 377.312 2.923 20 0 GFADRO COCCN(CC1CC[NH+](C)CC1)C(=O)c1cc(OC)ccc1Br ZINC000869770202 662660654 /nfs/dbraw/zinc/66/06/54/662660654.db2.gz LXBANYBZMCDYKX-UHFFFAOYSA-N 1 0 399.329 2.888 20 0 GFADRO CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)Cc2ccc(Br)c(Cl)c2)C1 ZINC000869778242 662661333 /nfs/dbraw/zinc/66/13/33/662661333.db2.gz CGQHVIBVXUSYFM-LBPRGKRZSA-N 1 0 389.721 2.606 20 0 GFADRO [NH3+][C@@H](C(=O)N1CCCN(CC(F)(F)F)CC1)c1cccc(Br)c1 ZINC000870864948 662703963 /nfs/dbraw/zinc/70/39/63/662703963.db2.gz SFCKLTAYPGDQQF-CYBMUJFWSA-N 1 0 394.235 2.546 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)CC[NH2+]CC1CC1 ZINC000870876641 662704319 /nfs/dbraw/zinc/70/43/19/662704319.db2.gz HUOQVNGDXFSWGP-UHFFFAOYSA-N 1 0 382.302 2.592 20 0 GFADRO [NH3+][C@@H](C(=O)NCc1nccn1CC(F)(F)F)c1cccc(Br)c1 ZINC000870880916 662704636 /nfs/dbraw/zinc/70/46/36/662704636.db2.gz UJKCQPBBKBLMAT-GFCCVEGCSA-N 1 0 391.191 2.524 20 0 GFADRO [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)NC2CCN(Cc3ccc(Br)cc3)CC2)C1 ZINC000870907197 662707685 /nfs/dbraw/zinc/70/76/85/662707685.db2.gz IAGCVHQBLCHMOA-ZSZQSSIHSA-N 1 0 392.341 2.657 20 0 GFADRO COCC[NH2+]C1CCN(C(=O)[C@@H]2[C@@H]3Cc4ccc(Br)cc4[C@@H]32)CC1 ZINC000870948610 662711120 /nfs/dbraw/zinc/71/11/20/662711120.db2.gz LEEDJGFYISMAKS-FGTMMUONSA-N 1 0 393.325 2.562 20 0 GFADRO C[C@]([NH3+])(C(=O)NC[C@H]1CCC12CCOCC2)c1ccc(Br)cc1 ZINC000870961733 662711595 /nfs/dbraw/zinc/71/15/95/662711595.db2.gz MIUVXCVJKMGSTK-RHSMWYFYSA-N 1 0 381.314 2.946 20 0 GFADRO [NH3+][C@H]1C[C@@H](CNC(=O)CCc2ncc(-c3ccccc3Br)o2)C1 ZINC000870968337 662711676 /nfs/dbraw/zinc/71/16/76/662711676.db2.gz SWRYPDRPFPPGBE-TXEJJXNPSA-N 1 0 378.270 2.890 20 0 GFADRO CCC(=O)c1ccc(Cl)c(S(=O)(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)c1 ZINC000871813423 662735293 /nfs/dbraw/zinc/73/52/93/662735293.db2.gz ILFMOYNVYOLRMY-GHMZBOCLSA-N 1 0 398.834 2.690 20 0 GFADRO NC(=O)[C@H](Cc1ccc(F)cc1)[NH2+][C@@H]1[C@H]2Cc3ccc(Br)cc3[C@@H]12 ZINC000871924039 662742428 /nfs/dbraw/zinc/74/24/28/662742428.db2.gz BGQWDECMBPQRPH-WNRNVDISSA-N 1 0 389.268 2.913 20 0 GFADRO CC(C)(O)C[C@H](O)C[NH+]1CCC(C(=O)Nc2cccc(Br)c2)CC1 ZINC000871976196 662748291 /nfs/dbraw/zinc/74/82/91/662748291.db2.gz GRHUOIYTCIAVGO-INIZCTEOSA-N 1 0 399.329 2.622 20 0 GFADRO OC[C@H](C[NH2+][C@H](c1cccc(Br)c1)[C@@H]1CCOC1)[C@H]1CCOC1 ZINC000872067544 662755046 /nfs/dbraw/zinc/75/50/46/662755046.db2.gz AXTIFDYGNIOTOF-UIBIWLFHSA-N 1 0 384.314 2.761 20 0 GFADRO CC[C@@H]([NH2+]CCC[C@@H]1CCOC1=O)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000872114392 662756171 /nfs/dbraw/zinc/75/61/71/662756171.db2.gz WAAIOWGYZFKYTO-IUODEOHRSA-N 1 0 388.917 2.632 20 0 GFADRO C[C@H]([NH2+]CCOC(F)(F)C(F)(F)F)c1cccc(NS(C)(=O)=O)c1 ZINC000872110735 662756176 /nfs/dbraw/zinc/75/61/76/662756176.db2.gz OKIHKOYZRKQUEF-VIFPVBQESA-N 1 0 376.347 2.880 20 0 GFADRO [NH3+]C[C@H]1CN(CC(=O)Nc2ccc(Br)cc2F)C[C@H]1C(F)(F)F ZINC000872147046 662756382 /nfs/dbraw/zinc/75/63/82/662756382.db2.gz CIHLMHQLHIBLEJ-WCBMZHEXSA-N 1 0 398.198 2.596 20 0 GFADRO CC(=O)N[C@@H](c1nc(CC2CC[NH2+]CC2)no1)c1cccc(Br)c1 ZINC000872171015 662757099 /nfs/dbraw/zinc/75/70/99/662757099.db2.gz KLHFGDLJVKKUJM-MRXNPFEDSA-N 1 0 393.285 2.600 20 0 GFADRO O[C@@H](C[NH2+]C[C@H]1CC2(CO1)CCOCC2)c1ccc(F)c(Br)c1 ZINC000872230295 662758397 /nfs/dbraw/zinc/75/83/97/662758397.db2.gz XKIKYMJSKSOOIE-CJNGLKHVSA-N 1 0 388.277 2.797 20 0 GFADRO CS(=O)(=O)c1ccc([C@H](O)C[NH2+]C[C@@H]2CC=CC[C@H]2C(F)(F)F)cc1 ZINC000872232409 662758625 /nfs/dbraw/zinc/75/86/25/662758625.db2.gz YSTWHNVEAZSXFY-NUEKZKHPSA-N 1 0 377.428 2.858 20 0 GFADRO O[C@H](C[NH2+]C[C@H]1CC2(CO1)CCOCC2)COc1ccc(Cl)cc1Cl ZINC000872230719 662758629 /nfs/dbraw/zinc/75/86/29/662758629.db2.gz HVZJDNKGMJKZCH-HUUCEWRRSA-N 1 0 390.307 2.908 20 0 GFADRO CC[NH+](CC)CCCC1CCN(S(=O)(=O)N=[S@@](C)(=O)C(C)(C)C)CC1 ZINC000872472606 662770735 /nfs/dbraw/zinc/77/07/35/662770735.db2.gz ZAARAPRHHDHFQH-DEOSSOPVSA-N 1 0 395.635 2.962 20 0 GFADRO COc1ncc(S(=O)(=O)N2CCC(C)([NH+]3CCCCC3)CC2)cc1Cl ZINC000872531065 662775489 /nfs/dbraw/zinc/77/54/89/662775489.db2.gz YRDYCZGHCANORL-UHFFFAOYSA-N 1 0 387.933 2.773 20 0 GFADRO CC(C)[C@H]1CN(Cn2c(=O)oc3cc(Br)c(F)cc32)CC[N@@H+]1C ZINC000872737049 662787186 /nfs/dbraw/zinc/78/71/86/662787186.db2.gz HKVAYYZOFKJDQX-CQSZACIVSA-N 1 0 386.265 2.726 20 0 GFADRO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2c1ncc(Cn2cc(Br)cn2)s1 ZINC000872779615 662788533 /nfs/dbraw/zinc/78/85/33/662788533.db2.gz HHNIQSAFAVNCKD-KBPBESRZSA-N 1 0 382.331 2.823 20 0 GFADRO COCCOCCCC[NH2+]Cc1cccc(F)c1I ZINC000873033737 662797145 /nfs/dbraw/zinc/79/71/45/662797145.db2.gz JJCGXQHCDPYFJM-UHFFFAOYSA-N 1 0 381.229 2.963 20 0 GFADRO CN(CCCCCC[NH3+])C(=O)C(=O)Nc1cc(F)c(Br)c(F)c1 ZINC000873109786 662800013 /nfs/dbraw/zinc/80/00/13/662800013.db2.gz COYOTOCVPNKAKS-UHFFFAOYSA-N 1 0 392.244 2.643 20 0 GFADRO CN(CC(=O)Nc1ccc(Br)cn1)Cc1cc2c(s1)CC[NH2+]C2 ZINC000873208689 662803953 /nfs/dbraw/zinc/80/39/53/662803953.db2.gz RYPKIZGVIREBCQ-UHFFFAOYSA-N 1 0 395.326 2.622 20 0 GFADRO COc1cc(NC(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)c(OC)cc1Cl ZINC000873300386 662804984 /nfs/dbraw/zinc/80/49/84/662804984.db2.gz VDYORCPLVAINRD-BDAKNGLRSA-N 1 0 381.782 2.958 20 0 GFADRO C[C@]12C[NH2+]C[C@H]1CN(C(=O)Nc1ccc(F)cc1I)C2 ZINC000873312069 662805125 /nfs/dbraw/zinc/80/51/25/662805125.db2.gz GBHUZCUVPVYDBV-LKFCYVNXSA-N 1 0 389.212 2.504 20 0 GFADRO O=C(Nc1ccc(F)cc1I)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000873312039 662805144 /nfs/dbraw/zinc/80/51/44/662805144.db2.gz FDSHELFZULKDTA-GXTWGEPZSA-N 1 0 389.212 2.836 20 0 GFADRO O=C(Nc1ccc2nccnc2c1Br)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000873324284 662805473 /nfs/dbraw/zinc/80/54/73/662805473.db2.gz LFQFDNDSJWOJCF-WBMJQRKESA-N 1 0 376.258 2.798 20 0 GFADRO CCn1ncc(C(=O)Nc2ccccc2N2CC[NH+](C)CC2)c1Br ZINC000873906788 662817997 /nfs/dbraw/zinc/81/79/97/662817997.db2.gz JCOPCHXULWRAGQ-UHFFFAOYSA-N 1 0 392.301 2.670 20 0 GFADRO CCc1ccc(Br)c(NC(=O)C(=O)NCC[C@H]2CCC[N@H+](C)C2)c1 ZINC000873915210 662818350 /nfs/dbraw/zinc/81/83/50/662818350.db2.gz IGSMASBEEXLBTA-CQSZACIVSA-N 1 0 396.329 2.798 20 0 GFADRO C[NH+](C)C1(C)CCC(NC(=O)C(=O)Nc2cccc(Br)c2)CC1 ZINC000874120298 662823228 /nfs/dbraw/zinc/82/32/28/662823228.db2.gz LOPSDIKMNQDTMY-UHFFFAOYSA-N 1 0 382.302 2.767 20 0 GFADRO CNc1cc(I)ccc1C(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2C ZINC000874825579 662837485 /nfs/dbraw/zinc/83/74/85/662837485.db2.gz QHLHTHIAPFLMDG-HUUCEWRRSA-N 1 0 399.276 2.642 20 0 GFADRO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)c1cnc2ncc(Br)cc2c1 ZINC000874829065 662837633 /nfs/dbraw/zinc/83/76/33/662837633.db2.gz JODFCIXHRMJCMO-LSDHHAIUSA-N 1 0 375.270 2.701 20 0 GFADRO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)c1ccn(-c2cccc(Br)c2)n1 ZINC000874836712 662837928 /nfs/dbraw/zinc/83/79/28/662837928.db2.gz DGVJDMNJFVLSAT-IAGOWNOFSA-N 1 0 389.297 2.944 20 0 GFADRO C[N@@H+]1CCC[C@H]2[C@H]1CCN2C(=O)c1cc(Br)c2c(c1)OCCO2 ZINC000874836127 662838028 /nfs/dbraw/zinc/83/80/28/662838028.db2.gz BQMHOAUYZIXJPL-KGLIPLIRSA-N 1 0 381.270 2.529 20 0 GFADRO CCOC(=O)[C@@H]1CN(C(=O)c2sccc2C[NH+](C)C)C[C@H]1C(F)(F)F ZINC000874905386 662839187 /nfs/dbraw/zinc/83/91/87/662839187.db2.gz QUTGHINIORJDGA-VXGBXAGGSA-N 1 0 378.416 2.623 20 0 GFADRO C[C@@H](CC[NH+](C)C)NC(=O)N1CC[C@@H](O)[C@H]1c1ccc(Br)cc1 ZINC000875172575 662842911 /nfs/dbraw/zinc/84/29/11/662842911.db2.gz SGKGDXSVBNAEIE-APHBMKBZSA-N 1 0 384.318 2.607 20 0 GFADRO C[N@@H+]1CCN(C(=O)NCCCCn2cc(Br)cn2)CCC1(C)C ZINC000875545693 662847762 /nfs/dbraw/zinc/84/77/62/662847762.db2.gz FIPFOISJJYYIDP-UHFFFAOYSA-N 1 0 386.338 2.552 20 0 GFADRO CN(OCC(F)(F)F)C(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000875548048 662847896 /nfs/dbraw/zinc/84/78/96/662847896.db2.gz SIMLGLBZJWUQPN-UHFFFAOYSA-N 1 0 377.329 2.927 20 0 GFADRO Cc1c(Br)ccnc1NC(=O)[C@@H]1CC[N@@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000875791778 662852160 /nfs/dbraw/zinc/85/21/60/662852160.db2.gz PBVDFYPFGPSRDO-ZIAGYGMSSA-N 1 0 392.301 2.560 20 0 GFADRO Cn1cc([C@H]2C[N@H+](C)CC[C@H]2C(=O)Nc2cccc(Br)c2F)cn1 ZINC000875828211 662852669 /nfs/dbraw/zinc/85/26/69/662852669.db2.gz RDPJQUJIYAAQPI-CHWSQXEVSA-N 1 0 395.276 2.996 20 0 GFADRO O=C(NCc1cc(Cl)cc(Cl)c1F)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000876224368 662857141 /nfs/dbraw/zinc/85/71/41/662857141.db2.gz MEFZZBSALQIDGS-AWEZNQCLSA-N 1 0 390.286 2.873 20 0 GFADRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)NCc1ncc(Br)s1 ZINC000876285742 662858952 /nfs/dbraw/zinc/85/89/52/662858952.db2.gz JYMCYNWSTKDVMK-NSHDSACASA-N 1 0 375.336 2.921 20 0 GFADRO O=C(NCc1ccc(C(F)(F)F)s1)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000876343806 662860185 /nfs/dbraw/zinc/86/01/85/662860185.db2.gz GVWXUQGGPMHKBR-CHWSQXEVSA-N 1 0 377.432 2.508 20 0 GFADRO O=C(CCC12CC(C1)C[NH2+]2)NC[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000876732958 662865502 /nfs/dbraw/zinc/86/55/02/662865502.db2.gz KKCQNSPRQNSCCS-XVTSOASTSA-N 1 0 392.341 2.924 20 0 GFADRO C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000876733399 662865517 /nfs/dbraw/zinc/86/55/17/662865517.db2.gz XGAOJWIAMUZALV-DOQNRUSJSA-N 1 0 392.341 2.803 20 0 GFADRO CCS(=O)(=O)C[C@H](C)[N@H+](C)C[C@H]1CCCCN(C(=O)OC(C)(C)C)C1 ZINC000876736096 662865624 /nfs/dbraw/zinc/86/56/24/662865624.db2.gz GAZALNIQUXLZAI-JKSUJKDBSA-N 1 0 376.563 2.779 20 0 GFADRO O=C(NC[C@H]1C[NH2+]CCCO1)C1(c2cc(Cl)cc(Br)c2)CC1 ZINC000876869851 662867510 /nfs/dbraw/zinc/86/75/10/662867510.db2.gz IZOXSBCEGVJXPO-CQSZACIVSA-N 1 0 387.705 2.629 20 0 GFADRO O=C([C@@H](F)[C@H]1CC[NH2+]C1)N1CCC(Oc2cccc(Br)c2)CC1 ZINC000876895607 662867803 /nfs/dbraw/zinc/86/78/03/662867803.db2.gz GIRBKWKJEUVIJA-LRDDRELGSA-N 1 0 385.277 2.767 20 0 GFADRO O=C(c1cc(Br)cn2ccnc12)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000876912530 662868001 /nfs/dbraw/zinc/86/80/01/662868001.db2.gz HDAVUEKZXBDLOR-WFASDCNBSA-N 1 0 377.286 2.701 20 0 GFADRO COC(=O)c1ccc(C[NH2+]Cc2cccnc2N(C)C)cc1Br ZINC000876928563 662868207 /nfs/dbraw/zinc/86/82/07/662868207.db2.gz IYNYKOIDLMFRGP-UHFFFAOYSA-N 1 0 378.270 2.987 20 0 GFADRO COC(=O)c1ccc(CNC(=O)c2sc(C3CC[NH2+]CC3)nc2C)s1 ZINC000876927814 662868226 /nfs/dbraw/zinc/86/82/26/662868226.db2.gz MRXANOZHDNXCLX-UHFFFAOYSA-N 1 0 379.507 2.697 20 0 GFADRO C[C@H]1CN(C(=O)c2csc(C3CC[NH2+]CC3)n2)C[C@H](CC(F)(F)F)O1 ZINC000876978469 662869111 /nfs/dbraw/zinc/86/91/11/662869111.db2.gz LDGSEQXJLFZVKQ-JQWIXIFHSA-N 1 0 377.432 2.792 20 0 GFADRO CCO[P@](C)(=O)CC[C@@H](C)[NH2+][C@H](C)c1cccc(S(=O)(=O)NC)c1 ZINC000877003407 662869493 /nfs/dbraw/zinc/86/94/93/662869493.db2.gz TYIGOWWQMPMNHX-CSTKLKAISA-N 1 0 376.459 2.968 20 0 GFADRO CC(C)n1ncc(C(=O)N2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1Br ZINC000877018761 662869776 /nfs/dbraw/zinc/86/97/76/662869776.db2.gz QPKZGOAQTOQHKL-ONGXEEELSA-N 1 0 397.239 2.826 20 0 GFADRO [NH3+]CCCCCCC(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000877030278 662869963 /nfs/dbraw/zinc/86/99/63/662869963.db2.gz DQSKQRIPHJYGDL-OAHLLOKOSA-N 1 0 382.302 2.580 20 0 GFADRO COC(=O)c1ccc(C[NH2+]CCCOC2CCOCC2)cc1Br ZINC000877054797 662870333 /nfs/dbraw/zinc/87/03/33/662870333.db2.gz LOGGVULGCOKVMW-UHFFFAOYSA-N 1 0 386.286 2.911 20 0 GFADRO CN(C[C@H](O)COc1cc(Cl)cc(Cl)c1)C(=O)c1cccc(C[NH3+])c1 ZINC000877129437 662871460 /nfs/dbraw/zinc/87/14/60/662871460.db2.gz LZUSDANJQAHVEJ-INIZCTEOSA-N 1 0 383.275 2.964 20 0 GFADRO CC(C)(C)n1ncc(C(=O)NCc2cccc3c2CC[NH2+]C3)c1Br ZINC000877141471 662871690 /nfs/dbraw/zinc/87/16/90/662871690.db2.gz ILAAKJDTSIPFJQ-UHFFFAOYSA-N 1 0 391.313 2.976 20 0 GFADRO O=C(CCN1CCOCC1)Nc1cccc(C[NH2+]C[C@H]2CC2(Cl)Cl)c1 ZINC000877145063 662871693 /nfs/dbraw/zinc/87/16/93/662871693.db2.gz BPIHEKJKEKZUGT-OAHLLOKOSA-N 1 0 386.323 2.631 20 0 GFADRO CC(C)C[C@@](C)(CNC(=O)OC(C)(C)C)[NH2+]CC1CCS(=O)(=O)CC1 ZINC000877149545 662871745 /nfs/dbraw/zinc/87/17/45/662871745.db2.gz OYTCNCRRSKZQFW-SFHVURJKSA-N 1 0 376.563 2.730 20 0 GFADRO O=C([C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000877280914 662873071 /nfs/dbraw/zinc/87/30/71/662873071.db2.gz JUZVEDLOMCFJFL-DAXOMENPSA-N 1 0 382.291 2.699 20 0 GFADRO O=C(c1cc(=O)[nH]c2ccc(Br)cc21)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000877285658 662873261 /nfs/dbraw/zinc/87/32/61/662873261.db2.gz WMLBYLXLUQOXNA-LSDHHAIUSA-N 1 0 376.254 2.669 20 0 GFADRO O=C(NC[C@H]1CC2(CO1)CC[NH2+]CC2)c1ccc(Br)c(F)c1F ZINC000877326747 662873646 /nfs/dbraw/zinc/87/36/46/662873646.db2.gz FPPVWNXCTSTLJJ-SNVBAGLBSA-N 1 0 389.240 2.616 20 0 GFADRO O=C(NC[C@H]1Cc2ccccc2C[NH2+]1)c1sc(N2CCCC2)nc1Cl ZINC000877345038 662873953 /nfs/dbraw/zinc/87/39/53/662873953.db2.gz UMZINYGRSKQNBQ-CQSZACIVSA-N 1 0 376.913 2.841 20 0 GFADRO CC(C)COc1ncc(C(=O)N2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)cc1Cl ZINC000877359452 662874528 /nfs/dbraw/zinc/87/45/28/662874528.db2.gz SUNSQTQLBGFJOX-NWDGAFQWSA-N 1 0 379.810 2.979 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)CCOc2cccc(Br)c2)C[C@@H]1C(F)(F)F ZINC000877365307 662874701 /nfs/dbraw/zinc/87/47/01/662874701.db2.gz DOJZNRRZJOCOBX-MFKMUULPSA-N 1 0 395.219 2.814 20 0 GFADRO Cc1c(C(=O)N[C@]23CCC[C@@H]2[NH2+]CC3)cnn1-c1cccc(Br)c1 ZINC000877390930 662875278 /nfs/dbraw/zinc/87/52/78/662875278.db2.gz HCFMTBVQAOMFKE-WMZOPIPTSA-N 1 0 389.297 2.958 20 0 GFADRO Cn1ncc(C(=O)N2CCC[C@@H](C[C@H]([NH3+])C3CCCC3)C2)c1Br ZINC000877447057 662876106 /nfs/dbraw/zinc/87/61/06/662876106.db2.gz XFSRUMXMICBFAQ-WFASDCNBSA-N 1 0 383.334 2.942 20 0 GFADRO CS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](C[C@H]([NH3+])C3CCCC3)C2)s1 ZINC000877443233 662876108 /nfs/dbraw/zinc/87/61/08/662876108.db2.gz CBUUBIYLFFSWEP-ZFWWWQNUSA-N 1 0 384.567 2.911 20 0 GFADRO CCc1ccc([C@@H](O)C[NH2+]Cc2cnn3cc(Br)cnc23)cc1 ZINC000877513995 662877707 /nfs/dbraw/zinc/87/77/07/662877707.db2.gz FYPGGQHXOYXGDE-INIZCTEOSA-N 1 0 375.270 2.877 20 0 GFADRO NS(=O)(=O)c1cccc(C[NH2+]CC[C@H](O)c2ccc(Cl)c(Cl)c2)c1 ZINC000877529317 662878231 /nfs/dbraw/zinc/87/82/31/662878231.db2.gz ZIPBFMDUZBKRRB-INIZCTEOSA-N 1 0 389.304 2.854 20 0 GFADRO CCON(C)C(=O)C[NH2+][C@@H]1CCN(C)[C@@H](c2ccc(Br)cc2)C1 ZINC000877612125 662879862 /nfs/dbraw/zinc/87/98/62/662879862.db2.gz KJRSBMHYOXBITM-HZPDHXFCSA-N 1 0 384.318 2.584 20 0 GFADRO CC(C)[C@H]([NH2+]Cc1ccc(S(N)(=O)=O)s1)[C@@H](O)c1ccc(Cl)cc1 ZINC000877639160 662880453 /nfs/dbraw/zinc/88/04/53/662880453.db2.gz CIBXGZKMBNIPNU-HOTGVXAUSA-N 1 0 388.942 2.897 20 0 GFADRO COC(=O)c1ccc(CN2CC[C@H]3CC[C@@H](C2)[S@]3=O)cc1Br ZINC000877657016 662880929 /nfs/dbraw/zinc/88/09/29/662880929.db2.gz DSKLEXDQHWVWNR-IFMYKAFSSA-N 1 0 386.311 2.721 20 0 GFADRO C[C@@H](c1ccc(-n2cncn2)cc1)[N@H+](C)C[C@H](O)c1cc(Br)no1 ZINC000877944189 662886639 /nfs/dbraw/zinc/88/66/39/662886639.db2.gz VMAYMJQTPIHLFY-FZMZJTMJSA-N 1 0 392.257 2.744 20 0 GFADRO CC[NH+](CC)Cc1ccc(CNC(=O)Cc2c(Br)cnn2C)cc1 ZINC000877986279 662887671 /nfs/dbraw/zinc/88/76/71/662887671.db2.gz MTJXAMWEDXVTTK-UHFFFAOYSA-N 1 0 393.329 2.883 20 0 GFADRO CC1CC[NH+](C[C@H]2CCCN(C[C@H](O)c3cc(Br)no3)C2)CC1 ZINC000878017858 662888332 /nfs/dbraw/zinc/88/83/32/662888332.db2.gz PHMAFARDBSOGSE-CABCVRRESA-N 1 0 386.334 2.914 20 0 GFADRO CN(C[C@H](O)c1cc(Br)no1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000878151574 662890971 /nfs/dbraw/zinc/89/09/71/662890971.db2.gz XUFXWKKUIFVVSP-HOTGVXAUSA-N 1 0 394.313 2.924 20 0 GFADRO C[N@H+](Cc1ccccc1)[C@H]1CCN(C[C@@H](O)c2cc(Br)no2)C1 ZINC000878171926 662891151 /nfs/dbraw/zinc/89/11/51/662891151.db2.gz YSUWFSUFCSPYKL-LSDHHAIUSA-N 1 0 380.286 2.677 20 0 GFADRO OCC[N@H+](C[C@@H](O)c1cc(Br)no1)[C@H]1CCCc2ccccc21 ZINC000878245664 662892392 /nfs/dbraw/zinc/89/23/92/662892392.db2.gz GYHAETNFKASMNF-LSDHHAIUSA-N 1 0 381.270 2.842 20 0 GFADRO COc1cc(F)c([C@@H](C)[NH2+]C[C@H](O)c2cc(Br)no2)cc1OC ZINC000878364022 662894589 /nfs/dbraw/zinc/89/45/89/662894589.db2.gz MTWPMULHZKREFI-KCJUWKMLSA-N 1 0 389.221 2.978 20 0 GFADRO C[NH+]1CCC(NC(=O)CN2CC=C(c3cccc(Br)c3)CC2)CC1 ZINC000878433467 662896205 /nfs/dbraw/zinc/89/62/05/662896205.db2.gz DWROYPRAKFCJJF-UHFFFAOYSA-N 1 0 392.341 2.749 20 0 GFADRO CC(C)(CO)[C@H]([NH2+]C[C@H](O)c1cc(Br)no1)c1cccs1 ZINC000878621392 662900623 /nfs/dbraw/zinc/90/06/23/662900623.db2.gz BDQWUFCUGNVHOU-TVQRCGJNSA-N 1 0 375.288 2.881 20 0 GFADRO C[C@@H]1CN(C[C@H](O)c2cc(Br)no2)CC[N@H+](Cc2ccccc2)C1 ZINC000878682616 662902299 /nfs/dbraw/zinc/90/22/99/662902299.db2.gz POKCUPZULJZCBR-HOCLYGCPSA-N 1 0 394.313 2.924 20 0 GFADRO Cn1cc(C[NH2+]C2(CC(=O)OC(C)(C)C)CCOCC2)c(Br)n1 ZINC000878716536 662903414 /nfs/dbraw/zinc/90/34/14/662903414.db2.gz LKORRPBUQKEERA-UHFFFAOYSA-N 1 0 388.306 2.553 20 0 GFADRO OCC1([C@@H]([NH2+]C[C@H](O)c2ccc(Br)cc2)[C@@H]2CCCO2)CCC1 ZINC000878866635 662907730 /nfs/dbraw/zinc/90/77/30/662907730.db2.gz CXSKQSUHSUUWSK-ULQDDVLXSA-N 1 0 384.314 2.782 20 0 GFADRO NC(=O)[C@@H](C1CC1)[N@H+](CCC(=O)Nc1ccccc1Br)CC1CC1 ZINC000879487232 662927045 /nfs/dbraw/zinc/92/70/45/662927045.db2.gz ANGXQGFRDODKRR-QGZVFWFLSA-N 1 0 394.313 2.754 20 0 GFADRO CN1CC[NH+](C2CCN(CC(=O)Nc3ccc(Cl)c(Cl)c3)CC2)CC1 ZINC000879592389 662930208 /nfs/dbraw/zinc/93/02/08/662930208.db2.gz IVZVDMZLEGMAOQ-UHFFFAOYSA-N 1 0 385.339 2.644 20 0 GFADRO Cc1cnc(Br)c(NC(=O)N2CCC[C@@H]([NH2+]C3CCOCC3)C2)c1 ZINC000879618841 662930589 /nfs/dbraw/zinc/93/05/89/662930589.db2.gz DYTRMAVZENRJDN-CQSZACIVSA-N 1 0 397.317 2.917 20 0 GFADRO Cn1nc(Br)cc1NC(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C ZINC000879644597 662933280 /nfs/dbraw/zinc/93/32/80/662933280.db2.gz HZNNNXLKUNLZAM-LBPRGKRZSA-N 1 0 384.253 2.746 20 0 GFADRO CCS(=O)(=O)CC[N@@H+]1CC[C@@](CNC(=O)OC(C)(C)C)(C(C)(C)C)C1 ZINC000879653727 662934034 /nfs/dbraw/zinc/93/40/34/662934034.db2.gz USYKUDCDNFOFTP-SFHVURJKSA-N 1 0 376.563 2.684 20 0 GFADRO COC[C@H]([NH2+]C[C@@H]1CCCS(=O)(=O)C1)c1cccc(Br)c1 ZINC000879663123 662935091 /nfs/dbraw/zinc/93/50/91/662935091.db2.gz BYDZAMZWSUVEAI-WFASDCNBSA-N 1 0 376.316 2.551 20 0 GFADRO Cc1ncc(Br)cc1NC(=O)N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000879786516 662939390 /nfs/dbraw/zinc/93/93/90/662939390.db2.gz JTZPJSZDZHDKKT-OAHLLOKOSA-N 1 0 397.317 2.917 20 0 GFADRO COCCN(CC1CC[NH+](C)CC1)C(=O)Nc1cc(C)cc(Br)n1 ZINC000879846244 662940620 /nfs/dbraw/zinc/94/06/20/662940620.db2.gz WBAHAFBXYGDQFS-UHFFFAOYSA-N 1 0 399.333 2.975 20 0 GFADRO CONC(=O)C1CC[NH+](CCCc2ccc(Br)cc2OC)CC1 ZINC000879924334 662942181 /nfs/dbraw/zinc/94/21/81/662942181.db2.gz PJXSICVWNKNAMZ-UHFFFAOYSA-N 1 0 385.302 2.780 20 0 GFADRO Cn1cc(NC(=O)N2CCC[N@H+](Cc3ccccc3)CC2)c(Br)n1 ZINC000880039900 662946445 /nfs/dbraw/zinc/94/64/45/662946445.db2.gz OSNMYTIDUSOYIL-UHFFFAOYSA-N 1 0 392.301 2.922 20 0 GFADRO C[NH2+]C1(CNC(=O)c2c(F)ccc(I)c2Cl)CCC1 ZINC000880194194 662953840 /nfs/dbraw/zinc/95/38/40/662953840.db2.gz ONTJCDPMQVRIIY-UHFFFAOYSA-N 1 0 396.631 2.956 20 0 GFADRO OC[C@@H]([NH2+]C[C@@H](O)C[C@H](O)c1ccccc1)c1ccc(Br)cc1 ZINC000880331386 662958193 /nfs/dbraw/zinc/95/81/93/662958193.db2.gz YWMJNBHRFALNJU-KSZLIROESA-N 1 0 380.282 2.557 20 0 GFADRO OC[C@@H]([NH2+]C[C@H](O)C[C@H](O)c1ccccc1)c1ccc(Br)cc1 ZINC000880331387 662958224 /nfs/dbraw/zinc/95/82/24/662958224.db2.gz YWMJNBHRFALNJU-KURKYZTESA-N 1 0 380.282 2.557 20 0 GFADRO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[NH+]1CCC2(CC1)COCCO2 ZINC000880541738 662962089 /nfs/dbraw/zinc/96/20/89/662962089.db2.gz LBAHRTWYTDYEPQ-UHFFFAOYSA-N 1 0 387.307 2.833 20 0 GFADRO O[C@H](COc1ccc(Cl)cc1Cl)C[N@@H+]1C[C@@H](O)CC2(CCOCC2)C1 ZINC000880588385 662963476 /nfs/dbraw/zinc/96/34/76/662963476.db2.gz FAEUWZXJBFOKCG-GJZGRUSLSA-N 1 0 390.307 2.597 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(C(=O)Nc3c4c(ccc3Br)OCC4)CC[C@@H]21 ZINC000880798298 662969914 /nfs/dbraw/zinc/96/99/14/662969914.db2.gz QPHBSAFJDGJIDG-RISCZKNCSA-N 1 0 380.286 2.942 20 0 GFADRO CC(=O)c1ccc(Br)c(NC(=O)NCCN(C)CCC[NH+](C)C)c1 ZINC000880811149 662974908 /nfs/dbraw/zinc/97/49/08/662974908.db2.gz DARPLRUZYHWBIM-UHFFFAOYSA-N 1 0 399.333 2.657 20 0 GFADRO O=C(Nc1cccc(F)c1Br)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000881134907 662982246 /nfs/dbraw/zinc/98/22/46/662982246.db2.gz BRJGICQTIUOVGV-GFCCVEGCSA-N 1 0 386.265 2.651 20 0 GFADRO O=C(Nc1cccc(F)c1Br)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000881140596 662983133 /nfs/dbraw/zinc/98/31/33/662983133.db2.gz FHYANXLBGFSNTI-ZIAGYGMSSA-N 1 0 386.265 2.651 20 0 GFADRO Cn1ncc(Br)c1CC(=O)NC[C@H]1CC[N@@H+]1C1CCCCCC1 ZINC000881437120 662994231 /nfs/dbraw/zinc/99/42/31/662994231.db2.gz FPBVMLQVOHLHIC-CQSZACIVSA-N 1 0 383.334 2.638 20 0 GFADRO COc1ccc(Br)cc1C(=O)N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000881473072 662995377 /nfs/dbraw/zinc/99/53/77/662995377.db2.gz OMZJYVSZRQBFGH-OAHLLOKOSA-N 1 0 397.313 2.831 20 0 GFADRO O=C(Cc1cc(Br)ccc1F)N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000881473291 662995387 /nfs/dbraw/zinc/99/53/87/662995387.db2.gz QKMBUTSBVBGUEZ-INIZCTEOSA-N 1 0 399.304 2.890 20 0 GFADRO COc1cccc([C@@H](CNc2ccc3nnc(Br)n3n2)[NH+](C)C)c1 ZINC000881757676 663001913 /nfs/dbraw/zinc/00/19/13/663001913.db2.gz NERSASBWAXLOIL-CYBMUJFWSA-N 1 0 391.273 2.610 20 0 GFADRO C[NH+](C)[C@H]1CCC[C@H](Nc2cnn(CC(F)(F)F)c(=O)c2Br)C1 ZINC000882057139 663015349 /nfs/dbraw/zinc/01/53/49/663015349.db2.gz OTHHEIYMFRDYTC-UWVGGRQHSA-N 1 0 397.239 2.853 20 0 GFADRO C[NH+](C)Cc1ccc(NS(=O)(=O)N=[S@](C)(=O)C2CCCCC2)c(F)c1 ZINC000882740564 663039825 /nfs/dbraw/zinc/03/98/25/663039825.db2.gz AYDCAPSDHNKYFG-XMMPIXPASA-N 1 0 391.534 2.975 20 0 GFADRO Cn1nnc(Br)c1C(=O)Nc1ccc(C[NH+]2CCCCC2)cc1 ZINC000882950895 663045083 /nfs/dbraw/zinc/04/50/83/663045083.db2.gz FRBAYSNLJMUVPZ-UHFFFAOYSA-N 1 0 378.274 2.816 20 0 GFADRO Cn1c2ccc(C(F)(F)F)cc2nc1C[NH2+]CC[C@@H]1CCCS1(=O)=O ZINC000883299443 663052804 /nfs/dbraw/zinc/05/28/04/663052804.db2.gz UXDGHEFNEPNVQY-LBPRGKRZSA-N 1 0 375.416 2.649 20 0 GFADRO O=S1(=O)CCC[C@H]1CC[NH2+]Cc1nc(-c2cccc(Br)c2)c[nH]1 ZINC000883299717 663053031 /nfs/dbraw/zinc/05/30/31/663053031.db2.gz CVKCKTCPXZFTAZ-AWEZNQCLSA-N 1 0 398.326 2.896 20 0 GFADRO C[C@@]1(C[NH2+]Cc2ccc(S(N)(=O)=O)c(Cl)c2)OCCc2ccccc21 ZINC000883339679 663053743 /nfs/dbraw/zinc/05/37/43/663053743.db2.gz YWMPPHZGDNFHIE-SFHVURJKSA-N 1 0 380.897 2.565 20 0 GFADRO CS(=O)(=O)[C@H]1C[C@H]([NH2+][C@H](c2ccc(Br)cc2)[C@@H]2CCCO2)C1 ZINC000883375026 663054189 /nfs/dbraw/zinc/05/41/89/663054189.db2.gz ZSRMXSSCNBHXHV-YHUYYLMFSA-N 1 0 388.327 2.834 20 0 GFADRO CCc1ncc(C[NH2+][C@@H]2CCc3cc(Br)ccc3NC2=O)cn1 ZINC000883387344 663054722 /nfs/dbraw/zinc/05/47/22/663054722.db2.gz WOZNBGLQGZJDIB-OAHLLOKOSA-N 1 0 375.270 2.845 20 0 GFADRO C[NH2+]C1CCN(C(=O)c2cc(Br)nn2-c2ncccc2Cl)CC1 ZINC000884029243 663063956 /nfs/dbraw/zinc/06/39/56/663063956.db2.gz GHPCQGQMYPONPT-UHFFFAOYSA-N 1 0 398.692 2.507 20 0 GFADRO C[NH2+]C[C@H]1CCCN1C(=O)c1cc(Br)nn1-c1ncccc1Cl ZINC000884040384 663064051 /nfs/dbraw/zinc/06/40/51/663064051.db2.gz RRUBJHWKBXBLAA-SNVBAGLBSA-N 1 0 398.692 2.507 20 0 GFADRO O=C(N[C@H]1CCC[NH2+]CC1)c1cc(Br)nn1-c1ncccc1Cl ZINC000884265804 663067789 /nfs/dbraw/zinc/06/77/89/663067789.db2.gz UNMGJNXHCLKXNS-JTQLQIEISA-N 1 0 398.692 2.555 20 0 GFADRO O=C(COCCc1ccc(Br)cc1)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000884301246 663068469 /nfs/dbraw/zinc/06/84/69/663068469.db2.gz RNMDLKYMMPGEGS-DLBZAZTESA-N 1 0 395.341 2.856 20 0 GFADRO CC1(C)[C@H]([NH3+])C[C@@H]1NC(=O)c1nn(-c2ccc(F)cc2)cc1Br ZINC000884356062 663069581 /nfs/dbraw/zinc/06/95/81/663069581.db2.gz XQYRVLVFJJYGHC-OLZOCXBDSA-N 1 0 381.249 2.630 20 0 GFADRO COCC[C@H]([NH3+])C(=O)N1CCN(c2cc(Cl)c(Cl)c(Cl)c2)CC1 ZINC000884393174 663070011 /nfs/dbraw/zinc/07/00/11/663070011.db2.gz WUDJAEQZXKDMPI-ZDUSSCGKSA-N 1 0 380.703 2.659 20 0 GFADRO Cn1ncc(C(F)(F)F)c1CNC(=O)[C@@H]([NH3+])c1ccc(Br)cc1 ZINC000884428946 663070638 /nfs/dbraw/zinc/07/06/38/663070638.db2.gz SHMTYMRBYDQOMG-LBPRGKRZSA-N 1 0 391.191 2.518 20 0 GFADRO COc1cccc([C@H](CNC(=O)[C@@H]([NH3+])c2ccc(Br)cc2)OC)c1 ZINC000884428180 663070659 /nfs/dbraw/zinc/07/06/59/663070659.db2.gz VCCTXMRFBOFGSO-IRXDYDNUSA-N 1 0 393.281 2.961 20 0 GFADRO COc1cccc([C@@H](CNC(=O)[C@H]([NH3+])c2ccc(Br)cc2)OC)c1 ZINC000884428179 663070667 /nfs/dbraw/zinc/07/06/67/663070667.db2.gz VCCTXMRFBOFGSO-IAGOWNOFSA-N 1 0 393.281 2.961 20 0 GFADRO Cn1nc(C2CCOCC2)cc1NC(=O)[C@H]([NH3+])c1ccc(Br)cc1 ZINC000884436849 663070747 /nfs/dbraw/zinc/07/07/47/663070747.db2.gz PRYVPUNFWQDRTQ-MRXNPFEDSA-N 1 0 393.285 2.715 20 0 GFADRO C[C@@H]1CC[C@@H](NC(=O)c2cc(Br)nn2-c2ncccc2Cl)C[NH2+]1 ZINC000884438371 663070784 /nfs/dbraw/zinc/07/07/84/663070784.db2.gz ZDVLYXGSJLAJSP-NXEZZACHSA-N 1 0 398.692 2.554 20 0 GFADRO O=S(=O)(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(OCC(F)(F)F)cc1 ZINC000884949935 663079268 /nfs/dbraw/zinc/07/92/68/663079268.db2.gz ITMWPKWKZPDRIZ-CHWSQXEVSA-N 1 0 378.416 2.533 20 0 GFADRO O=S(=O)(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1cnc(Cl)cc1C(F)(F)F ZINC000884959636 663079719 /nfs/dbraw/zinc/07/97/19/663079719.db2.gz MXHDDRYJWVNNAY-ZJUUUORDSA-N 1 0 383.823 2.659 20 0 GFADRO CN(Cc1c(Cl)cccc1Cl)C(=O)C(=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000884973821 663081773 /nfs/dbraw/zinc/08/17/73/663081773.db2.gz HDRTVZXVRSIDSY-LBPRGKRZSA-N 1 0 386.323 2.846 20 0 GFADRO O=C(NC[C@@H]1CC[N@@H+]1C1CCOCC1)c1cccnc1SC(F)(F)F ZINC000885866121 663099636 /nfs/dbraw/zinc/09/96/36/663099636.db2.gz SEEJCXCOTQKSRA-LBPRGKRZSA-N 1 0 375.416 2.677 20 0 GFADRO O=C(Cc1ccc(Br)c(F)c1)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000885876655 663099992 /nfs/dbraw/zinc/09/99/92/663099992.db2.gz VINTXFFQVAGRRZ-CQSZACIVSA-N 1 0 385.277 2.500 20 0 GFADRO O=C(CSc1cccc(Br)c1)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000885876281 663099999 /nfs/dbraw/zinc/09/99/99/663099999.db2.gz PCLGFZZYTBCWFW-OAHLLOKOSA-N 1 0 399.354 2.911 20 0 GFADRO O=C(NC[C@H]1CC[N@@H+]1C1CCOCC1)c1cc(Br)c(F)cc1F ZINC000885883161 663100413 /nfs/dbraw/zinc/10/04/13/663100413.db2.gz PAQSAXAMBSXJCP-LLVKDONJSA-N 1 0 389.240 2.710 20 0 GFADRO CCc1cc(C(=O)NC[C@@H]2CC[N@@H+]2C2CCOCC2)ccc1Br ZINC000885895828 663100897 /nfs/dbraw/zinc/10/08/97/663100897.db2.gz OEUPHVYGFSHTAI-INIZCTEOSA-N 1 0 381.314 2.995 20 0 GFADRO Cc1c(Br)cc(F)cc1C(=O)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000885895832 663100920 /nfs/dbraw/zinc/10/09/20/663100920.db2.gz OFOOAMBOUVGOBX-AWEZNQCLSA-N 1 0 385.277 2.880 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+][C@@H](CO)C[C@@H]1CCCO1 ZINC000886225756 663105163 /nfs/dbraw/zinc/10/51/63/663105163.db2.gz BKJXBIYEFQICFH-AEFFLSMTSA-N 1 0 394.313 2.963 20 0 GFADRO OC[C@@H](C[C@@H]1CCCO1)[NH2+]Cc1nc(-c2cccc(Br)c2)c[nH]1 ZINC000886229045 663105298 /nfs/dbraw/zinc/10/52/98/663105298.db2.gz KGQKWHDRXBEHAH-CABCVRRESA-N 1 0 380.286 2.859 20 0 GFADRO CC(C)(C)OC(=O)NC[C@@H]1C[N@H+](C[C@@](C)(O)C(F)F)C[C@@H]1C(F)(F)F ZINC000886314484 663107961 /nfs/dbraw/zinc/10/79/61/663107961.db2.gz ZNWJFGLYZJEHNL-ISTVAULSSA-N 1 0 376.366 2.638 20 0 GFADRO COc1nsc(C[NH2+]C[C@@H]2CC[C@@]3(CO[C@H](C)C3)O2)c1Br ZINC000886329496 663108278 /nfs/dbraw/zinc/10/82/78/663108278.db2.gz FLMKLSQIVFJMTQ-ISTVAULSSA-N 1 0 377.304 2.730 20 0 GFADRO C[C@@H]1C[C@@]2(CC[C@H](C[NH2+]Cc3cn4ccc(Br)cc4n3)O2)CO1 ZINC000886330721 663108280 /nfs/dbraw/zinc/10/82/80/663108280.db2.gz WHBQIFKLLVDTRP-VMGRFDJRSA-N 1 0 380.286 2.913 20 0 GFADRO COC(=O)c1cc2n(n1)CCC[C@@H]2[NH2+]C[C@H](O)c1cccc(Br)c1 ZINC000886551092 663113681 /nfs/dbraw/zinc/11/36/81/663113681.db2.gz BCTIWGUCHACOHX-BBRMVZONSA-N 1 0 394.269 2.590 20 0 GFADRO O=C1NCCN1CC[NH2+][C@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC000886745131 663116911 /nfs/dbraw/zinc/11/69/11/663116911.db2.gz ORCWKLHGYQRVPB-HNNXBMFYSA-N 1 0 377.286 2.923 20 0 GFADRO COc1cc(Cl)c(S(=O)(=O)N2CCCC[C@]3(CC[NH2+]C3)C2)cc1OC ZINC000886901216 663124197 /nfs/dbraw/zinc/12/41/97/663124197.db2.gz SUBVXRRZWKWKBP-QGZVFWFLSA-N 1 0 388.917 2.512 20 0 GFADRO COc1cc(OC)c(S(=O)(=O)N2CCCC[C@@]3(CC[NH2+]C3)C2)cc1Cl ZINC000886901179 663124207 /nfs/dbraw/zinc/12/42/07/663124207.db2.gz RUJGPMUGAIIPLQ-KRWDZBQOSA-N 1 0 388.917 2.512 20 0 GFADRO COC[C@H]([NH2+]Cc1ccc(C(=O)OC)cc1Br)[C@H]1CCCOC1 ZINC000886916317 663124899 /nfs/dbraw/zinc/12/48/99/663124899.db2.gz RZGBPSGDBSHEBK-HOCLYGCPSA-N 1 0 386.286 2.767 20 0 GFADRO COC[C@H]([NH2+]Cc1nc2ccc(Br)cc2n1C)[C@@H]1CCCOC1 ZINC000886915426 663124977 /nfs/dbraw/zinc/12/49/77/663124977.db2.gz DLVGVGOBLCMGQW-DOMZBBRYSA-N 1 0 382.302 2.867 20 0 GFADRO COc1ccc(Br)c(NC(=O)NC[C@@H]2C[NH2+]CCC2(F)F)c1 ZINC000886932764 663125094 /nfs/dbraw/zinc/12/50/94/663125094.db2.gz NUNPBRQESBSGRE-VIFPVBQESA-N 1 0 378.217 2.824 20 0 GFADRO Clc1cccc(Cc2nc(-c3cn(C[C@H]4C[NH2+]CCO4)nn3)cs2)c1 ZINC000887391519 663144005 /nfs/dbraw/zinc/14/40/05/663144005.db2.gz DESMEZKYSOIWFF-CQSZACIVSA-N 1 0 375.885 2.634 20 0 GFADRO COc1cccc([C@H]2C[NH2+]CCN2C(=O)c2nc(Br)cs2)c1 ZINC000887403615 663144328 /nfs/dbraw/zinc/14/43/28/663144328.db2.gz AZBXXURCQQEKGY-GFCCVEGCSA-N 1 0 382.283 2.701 20 0 GFADRO [NH3+][C@@H]1CCCN(Cc2cn(Cc3ccc(Br)cc3Cl)nn2)C1 ZINC000887440892 663146455 /nfs/dbraw/zinc/14/64/55/663146455.db2.gz UOONQJQYYIPUNN-CYBMUJFWSA-N 1 0 384.709 2.665 20 0 GFADRO [NH3+][C@@H]1CCCN(Cc2cn([C@@H]3CCCc4ccc(Br)cc43)nn2)C1 ZINC000887446496 663146796 /nfs/dbraw/zinc/14/67/96/663146796.db2.gz CYOSJEBEJRXBCS-CRAIPNDOSA-N 1 0 390.329 2.889 20 0 GFADRO CSCCNc1nc(-c2cn(CCC[NH+]3CCSCC3)nn2)cs1 ZINC000887506343 663149959 /nfs/dbraw/zinc/14/99/59/663149959.db2.gz YVKXSROYUBLGSL-UHFFFAOYSA-N 1 0 384.600 2.615 20 0 GFADRO Cn1cc(C(=O)NC[C@H]2CCCC[N@@H+]2Cc2ccccc2)c(Br)n1 ZINC000888554100 663204914 /nfs/dbraw/zinc/20/49/14/663204914.db2.gz CTKRJQKZFORMRT-OAHLLOKOSA-N 1 0 391.313 2.967 20 0 GFADRO Cc1c(Br)cncc1NC(=O)CCCN1CC[NH+](C(C)C)CC1 ZINC000888900645 663224233 /nfs/dbraw/zinc/22/42/33/663224233.db2.gz FGOPIHKJMUWFFE-UHFFFAOYSA-N 1 0 383.334 2.897 20 0 GFADRO Cn1cc(C(=O)N(CC[NH+](C)C)Cc2cccc(F)c2)c(Br)n1 ZINC000888956850 663226899 /nfs/dbraw/zinc/22/68/99/663226899.db2.gz ZREXNMRWIICCGU-UHFFFAOYSA-N 1 0 383.265 2.526 20 0 GFADRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)COCCc1ccc(Br)cc1 ZINC000889158789 663233841 /nfs/dbraw/zinc/23/38/41/663233841.db2.gz SMUIUAXBUUZBPX-RHSMWYFYSA-N 1 0 383.330 2.807 20 0 GFADRO CS[C@@H]1CN(C(=O)Nc2c(Cl)n(C)nc2C(F)(F)F)C[C@@H]1[NH+](C)C ZINC000889199407 663235440 /nfs/dbraw/zinc/23/54/40/663235440.db2.gz CZPQQIKLQZQCQP-JGVFFNPUSA-N 1 0 385.843 2.602 20 0 GFADRO C[C@H](CCNC(=O)c1cn(C)nc1Br)[N@H+](C)Cc1ccccc1 ZINC000889322884 663241018 /nfs/dbraw/zinc/24/10/18/663241018.db2.gz HHZGUJBASPKFDR-CYBMUJFWSA-N 1 0 379.302 2.823 20 0 GFADRO O=C([C@@H]1CCc2cc(Br)ccc21)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000889751152 663263307 /nfs/dbraw/zinc/26/33/07/663263307.db2.gz RUQWWRQMGDPEOW-KZNAEPCWSA-N 1 0 393.325 2.537 20 0 GFADRO O=C([C@@H]1C[C@H]1c1ccc(Br)cc1)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000889751446 663263322 /nfs/dbraw/zinc/26/33/22/663263322.db2.gz QQZXLZSFJMRNIR-MHORFTMASA-N 1 0 393.325 2.610 20 0 GFADRO O=C(CCc1cc(Br)ccc1F)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000889762843 663264853 /nfs/dbraw/zinc/26/48/53/663264853.db2.gz KXJLHIRTSHBTPZ-SJORKVTESA-N 1 0 399.304 2.578 20 0 GFADRO Cc1cc(CCC(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)ccc1Br ZINC000889770002 663265206 /nfs/dbraw/zinc/26/52/06/663265206.db2.gz XRICKSNHMINZIJ-MSOLQXFVSA-N 1 0 395.341 2.748 20 0 GFADRO CC(C)n1cc(Br)cc1C(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000889770381 663265509 /nfs/dbraw/zinc/26/55/09/663265509.db2.gz ZXGGIMPKJGMXRI-LSDHHAIUSA-N 1 0 384.318 2.503 20 0 GFADRO O=C(c1[nH]c2ccccc2c1Br)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000889773734 663265753 /nfs/dbraw/zinc/26/57/53/663265753.db2.gz CQDBVGYXOZVNSW-GJZGRUSLSA-N 1 0 392.297 2.602 20 0 GFADRO O=C(NCCC[NH+]1CCCCC1)C(=O)Nc1cccc(F)c1Br ZINC000889777150 663266422 /nfs/dbraw/zinc/26/64/22/663266422.db2.gz WDWQPOYBFUHNOS-UHFFFAOYSA-N 1 0 386.265 2.519 20 0 GFADRO O=C(c1ccc(C2SCCS2)cc1)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000889778713 663266509 /nfs/dbraw/zinc/26/65/09/663266509.db2.gz BNHDWWOZPIVPLF-IRXDYDNUSA-N 1 0 378.563 2.836 20 0 GFADRO CC[NH+]1CCC(NC(=O)c2cccc(Br)n2)(C(F)(F)F)CC1 ZINC000891208787 663329980 /nfs/dbraw/zinc/32/99/80/663329980.db2.gz BUORFRRJNMIXLN-UHFFFAOYSA-N 1 0 380.208 2.991 20 0 GFADRO [NH3+][C@H]1C[C@H](CNC(=O)NCC2(c3cccc(Br)c3)CCOCC2)C1 ZINC000891394690 663338281 /nfs/dbraw/zinc/33/82/81/663338281.db2.gz KITZEUIBJZYMBW-SAZUREKKSA-N 1 0 396.329 2.534 20 0 GFADRO O=C(NCCc1ccc(Br)cc1F)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000891530713 663342515 /nfs/dbraw/zinc/34/25/15/663342515.db2.gz MIHWHIFXWXVAON-NSHDSACASA-N 1 0 394.235 2.675 20 0 GFADRO C[C@@]1(Br)C[C@H]1C[NH+]1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000891543103 663343332 /nfs/dbraw/zinc/34/33/32/663343332.db2.gz NCNGLGDXVIBUJQ-SMDDNHRTSA-N 1 0 393.372 2.664 20 0 GFADRO C[C@H](CNC(=O)N1CCc2sc(C[NH3+])nc2C1)Oc1ccc(Cl)cc1 ZINC000891617557 663345505 /nfs/dbraw/zinc/34/55/05/663345505.db2.gz VHDQSTLYFOPVOA-LLVKDONJSA-N 1 0 380.901 2.790 20 0 GFADRO CN1CCN(C(=O)N[C@H]2CCSc3ccc(Cl)cc32)CC[N@H+](C)CC1 ZINC000891664889 663346531 /nfs/dbraw/zinc/34/65/31/663346531.db2.gz GCYLDTIWOJBIJS-INIZCTEOSA-N 1 0 382.961 2.766 20 0 GFADRO CO[C@H](c1ccccc1Cl)[C@H](C)NC(=O)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000891812902 663351613 /nfs/dbraw/zinc/35/16/13/663351613.db2.gz GQARCUBYHOFXHB-HUBLWGQQSA-N 1 0 375.847 2.960 20 0 GFADRO C[C@@H]1C[C@H]([NH3+])CN1C(=O)NCc1ccc(Cl)cc1I ZINC000891858866 663353102 /nfs/dbraw/zinc/35/31/02/663353102.db2.gz WQIPQZGAHKHVRV-KCJUWKMLSA-N 1 0 393.656 2.576 20 0 GFADRO [NH3+]CCN(Cc1cccc(Cl)c1)C(=O)NCCOCC(F)(F)C(F)F ZINC000891857729 663353169 /nfs/dbraw/zinc/35/31/69/663353169.db2.gz FDRIBCPEIDVOKN-UHFFFAOYSA-N 1 0 385.789 2.727 20 0 GFADRO C[C@H](NC(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1)c1ccc(Br)cn1 ZINC000891867496 663353356 /nfs/dbraw/zinc/35/33/56/663353356.db2.gz PZZWJJMXXNPJNM-LRDDRELGSA-N 1 0 389.297 2.919 20 0 GFADRO CN(C[C@H](O)COc1cc(Cl)cc(Cl)c1)C(=O)NC1CCC([NH3+])CC1 ZINC000892022536 663359222 /nfs/dbraw/zinc/35/92/22/663359222.db2.gz RBNIFMXRJUJHDL-NRXISQOPSA-N 1 0 390.311 2.644 20 0 GFADRO F[C@H]1CC2(CC[C@H]1[NH+]1CCC(n3cc(Br)cn3)CC1)OCCO2 ZINC000892022972 663359537 /nfs/dbraw/zinc/35/95/37/663359537.db2.gz FQJCMWXHNJWKPT-LSDHHAIUSA-N 1 0 388.281 2.916 20 0 GFADRO [NH3+][C@H](CNC(=O)N1CC2(CCOCC2)c2ccc(Br)cc21)C1CC1 ZINC000892048239 663360400 /nfs/dbraw/zinc/36/04/00/663360400.db2.gz ISOWFKFCLUSLAN-OAHLLOKOSA-N 1 0 394.313 2.764 20 0 GFADRO NC(=O)C1(c2ccccc2)CC[NH+](Cc2ncc(Br)cc2O)CC1 ZINC000892061111 663360770 /nfs/dbraw/zinc/36/07/70/663360770.db2.gz PFCCONBEEPUTSG-UHFFFAOYSA-N 1 0 390.281 2.569 20 0 GFADRO O=C(NCCC1=CC[NH2+]CC1)N[C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21 ZINC000892100522 663361602 /nfs/dbraw/zinc/36/16/02/663361602.db2.gz KIZQNDTYNAWHMZ-HYVNUMGLSA-N 1 0 376.298 2.696 20 0 GFADRO COC[C@H](NC(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1cccc(Br)c1 ZINC000892187079 663365029 /nfs/dbraw/zinc/36/50/29/663365029.db2.gz IHTXTJFDZJIANM-DIECFANBSA-N 1 0 396.329 2.824 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]1C1CCN(C(=O)NCc2ccsc2C(F)(F)F)CC1 ZINC000892319995 663368985 /nfs/dbraw/zinc/36/89/85/663368985.db2.gz MENQHOBKFWZLPM-OLZOCXBDSA-N 1 0 377.432 2.805 20 0 GFADRO C[C@H]([NH3+])C1CCN(C(=O)N[C@@H]2[C@@H]3Cc4c(cccc4Br)[C@@H]32)CC1 ZINC000892322184 663369129 /nfs/dbraw/zinc/36/91/29/663369129.db2.gz INIZHJIDWINRNP-KYTKNBDNSA-N 1 0 378.314 2.856 20 0 GFADRO [NH3+]CC12CCC(CC1)N2C(=O)N[C@@H]1[C@H]2Cc3c(cccc3Br)[C@@H]12 ZINC000892321726 663369140 /nfs/dbraw/zinc/36/91/40/663369140.db2.gz FKBQWXRBDAGMRA-XHITWKOMSA-N 1 0 376.298 2.753 20 0 GFADRO C[C@]1(Br)C[C@@H]1CNc1ccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000892360421 663371318 /nfs/dbraw/zinc/37/13/18/663371318.db2.gz KTMNGMYORXUZRQ-RKVPGOIHSA-N 1 0 380.330 2.969 20 0 GFADRO C[C@H]([NH3+])C1CCN(C(=O)N[C@@H]2[C@H]3Cc4cc(Br)ccc4[C@@H]23)CC1 ZINC000892428344 663373515 /nfs/dbraw/zinc/37/35/15/663373515.db2.gz XXKDIYBMOVJSAX-YQMWTZAJSA-N 1 0 378.314 2.856 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)NCCSCCC(F)(F)F)CC[C@H]1C(F)(F)F ZINC000892541791 663376933 /nfs/dbraw/zinc/37/69/33/663376933.db2.gz FZRGELIRVHXBPA-NXEZZACHSA-N 1 0 381.386 2.841 20 0 GFADRO CN(C[C@@H](O)c1ccccc1Br)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000892587747 663378124 /nfs/dbraw/zinc/37/81/24/663378124.db2.gz QIRFWFUJALLCAC-UMPJEAMMSA-N 1 0 396.329 2.655 20 0 GFADRO C[C@@]1(Br)C[C@H]1C[NH2+]CCc1ccc(OCC(=O)NC2CC2)cc1 ZINC000892633925 663379392 /nfs/dbraw/zinc/37/93/92/663379392.db2.gz KSQGUZVLVJLEGY-KBXCAEBGSA-N 1 0 381.314 2.650 20 0 GFADRO COc1ccc(CNC(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3C)cc1Br ZINC000892650422 663379735 /nfs/dbraw/zinc/37/97/35/663379735.db2.gz IEJPSITUACFADX-HUUCEWRRSA-N 1 0 382.302 2.836 20 0 GFADRO O=C(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)N1CCc2ccc(Br)cc21 ZINC000892759594 663383913 /nfs/dbraw/zinc/38/39/13/663383913.db2.gz JTKMBEOATDFHQO-HNNXBMFYSA-N 1 0 394.313 2.680 20 0 GFADRO CN(Cc1cccc(Br)c1)C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000892782138 663384682 /nfs/dbraw/zinc/38/46/82/663384682.db2.gz UNENQNRBAMWSNZ-MRXNPFEDSA-N 1 0 396.329 2.749 20 0 GFADRO CN(Cc1ccc(Br)o1)C(=O)NC[C@H]1Cc2ccccc2C[NH2+]1 ZINC000892814446 663385567 /nfs/dbraw/zinc/38/55/67/663385567.db2.gz PEMVWLOITIGWKA-CQSZACIVSA-N 1 0 378.270 2.898 20 0 GFADRO Cc1c(Br)cc(C(=O)N2[C@@H](C)CCC[C@H]2CC[NH+](C)C)c(=O)n1C ZINC000893015655 663393085 /nfs/dbraw/zinc/39/30/85/663393085.db2.gz SQXWYLDHTSFXHK-JSGCOSHPSA-N 1 0 398.345 2.791 20 0 GFADRO CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@]2(N(C)C)CCSC2)C[C@H]1C(F)(F)F ZINC000893099458 663396554 /nfs/dbraw/zinc/39/65/54/663396554.db2.gz YZURSBSMDJDREJ-DSJMHWKBSA-N 1 0 382.492 2.924 20 0 GFADRO O=C(C[NH2+][C@H]1CCC2(C[C@H]1F)OCCO2)Nc1ccc(Br)cc1 ZINC000893319223 663407241 /nfs/dbraw/zinc/40/72/41/663407241.db2.gz QWPCITPZJOTJDU-KGLIPLIRSA-N 1 0 387.249 2.611 20 0 GFADRO C[C@@H]1C[N@H+](CCCOC(=O)c2ccc3cncc(Br)c3n2)CCO1 ZINC000893387967 663409324 /nfs/dbraw/zinc/40/93/24/663409324.db2.gz VSWCFHFMGYQRPR-GFCCVEGCSA-N 1 0 394.269 2.660 20 0 GFADRO CSC1(CNc2nc(C)ncc2I)CC[NH+](C)CC1 ZINC000893911983 663431243 /nfs/dbraw/zinc/43/12/43/663431243.db2.gz XXJGWFKZESNZEN-UHFFFAOYSA-N 1 0 392.310 2.629 20 0 GFADRO O=C1[C@H]([NH2+]C2CCS(=O)CC2)CCCN1c1ccc(Cl)cc1Cl ZINC000893965163 663433963 /nfs/dbraw/zinc/43/39/63/663433963.db2.gz KITPYTFOAAFAOY-ZFNKEMRRSA-N 1 0 375.321 2.990 20 0 GFADRO CC(C)(C)S(=O)(=O)N1CCC([NH2+]Cc2cnc(CC(F)(F)F)s2)CC1 ZINC000894021205 663437546 /nfs/dbraw/zinc/43/75/46/663437546.db2.gz CWKCAKCGEOKJSC-UHFFFAOYSA-N 1 0 399.504 2.930 20 0 GFADRO C[C@H](NC(=O)NCc1ncc(Br)cn1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000894106013 663442703 /nfs/dbraw/zinc/44/27/03/663442703.db2.gz NFAKNPYASQXJFB-STQMWFEESA-N 1 0 396.333 2.691 20 0 GFADRO CC(C)[NH+]1CCN(c2cccc(NCc3nc(Br)nn3C)c2)CC1 ZINC000894115574 663443326 /nfs/dbraw/zinc/44/33/26/663443326.db2.gz UDZKRDIXDDXRNQ-UHFFFAOYSA-N 1 0 393.333 2.720 20 0 GFADRO Cc1csc(CCCC[NH2+]Cc2cn(C)nc2I)n1 ZINC000894218115 663449412 /nfs/dbraw/zinc/44/94/12/663449412.db2.gz HSTMJSWFZORZCQ-UHFFFAOYSA-N 1 0 390.294 2.902 20 0 GFADRO CC(C)[C@@H]1OCCC[C@H]1C[NH2+]Cc1c(I)cnn1C ZINC000894316666 663454001 /nfs/dbraw/zinc/45/40/01/663454001.db2.gz NIUHPRGMWAGHML-FZMZJTMJSA-N 1 0 377.270 2.566 20 0 GFADRO Cc1cc(N2CC[C@@H]([NH2+]Cc3cc4ccnc(Cl)c4s3)C2=O)n(C)n1 ZINC000894315885 663454012 /nfs/dbraw/zinc/45/40/12/663454012.db2.gz STXVVRRYMXXTNV-CYBMUJFWSA-N 1 0 375.885 2.887 20 0 GFADRO C[C@H](C[C@@H](O)c1ccccc1)[NH2+]Cc1cn(C)nc1I ZINC000894366454 663457827 /nfs/dbraw/zinc/45/78/27/663457827.db2.gz GXQZSRWTEJLBKB-BXUZGUMPSA-N 1 0 385.249 2.627 20 0 GFADRO CC(=O)Nc1cc(Br)ccc1CN1CCO[C@@]2(CCCOC2)C1 ZINC000894389573 663459542 /nfs/dbraw/zinc/45/95/42/663459542.db2.gz SXQRKYYSWWTUHR-KRWDZBQOSA-N 1 0 383.286 2.789 20 0 GFADRO Cn1cc(C[NH2+]CCc2ccc(F)c(F)c2)c(I)n1 ZINC000894532820 663467320 /nfs/dbraw/zinc/46/73/20/663467320.db2.gz MUIRCZUIXWSWSK-UHFFFAOYSA-N 1 0 377.176 2.635 20 0 GFADRO COC(=O)c1cnc(CNC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)s1 ZINC000894603111 663471028 /nfs/dbraw/zinc/47/10/28/663471028.db2.gz SLFOBWHHPRJTRL-UHFFFAOYSA-N 1 0 377.432 2.825 20 0 GFADRO COC(=O)c1sc2c(c1Br)CN(c1cc(N(C)C)ncn1)C2 ZINC000894645395 663474161 /nfs/dbraw/zinc/47/41/61/663474161.db2.gz LSTVEGJWHDPICH-UHFFFAOYSA-N 1 0 383.271 2.673 20 0 GFADRO Cc1ccc([C@H](O)[C@H](C)[NH2+]Cc2c(I)cnn2C)cc1 ZINC000894746990 663479093 /nfs/dbraw/zinc/47/90/93/663479093.db2.gz ABDABXPBBQJHFK-XHDPSFHLSA-N 1 0 385.249 2.545 20 0 GFADRO CCOC(=O)c1nc(N2C[C@]3(C)C[NH+](C)C[C@@]3(C)C2)ccc1Br ZINC000894803400 663482317 /nfs/dbraw/zinc/48/23/17/663482317.db2.gz XTRFBYQDTHVYAC-IRXDYDNUSA-N 1 0 382.302 2.799 20 0 GFADRO CCOc1cc(C[NH2+]C[C@@H]2COCO2)cc(Br)c1OC(F)F ZINC000894873791 663486113 /nfs/dbraw/zinc/48/61/13/663486113.db2.gz TVKQGJBHPJBTSI-SNVBAGLBSA-N 1 0 382.201 2.912 20 0 GFADRO Cn1cc(C[NH2+]C2CCC(OC(F)F)CC2)c(I)n1 ZINC000894930308 663489039 /nfs/dbraw/zinc/48/90/39/663489039.db2.gz SJDPHPFPPOSNSQ-UHFFFAOYSA-N 1 0 385.196 2.665 20 0 GFADRO Cc1[nH+]ccc(N2CCC[C@@H](C(=O)N[C@@H]3CCC[C@@H](O)C3)C2)c1Br ZINC000895065435 663497546 /nfs/dbraw/zinc/49/75/46/663497546.db2.gz JPOPKXCDTHOSQL-RBSFLKMASA-N 1 0 396.329 2.789 20 0 GFADRO CNC(=O)[C@H](C[NH2+]C[C@@H]1C[C@]1(C)Br)Cc1ccc(OC)c(F)c1 ZINC000895084550 663498814 /nfs/dbraw/zinc/49/88/14/663498814.db2.gz YVMCIIXAGFCRGR-DCGLDWPTSA-N 1 0 387.293 2.502 20 0 GFADRO CC(=O)Nc1cc(Br)ccc1C[NH2+]C[C@@H](C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000895204623 663503399 /nfs/dbraw/zinc/50/33/99/663503399.db2.gz GMJZYPWRAWZUAV-MCIONIFRSA-N 1 0 398.345 2.995 20 0 GFADRO COC(=O)c1ccc2c(c1)[C@@H](C[NH2+]Cc1nc(Br)nn1C)CCC2 ZINC000895251614 663505249 /nfs/dbraw/zinc/50/52/49/663505249.db2.gz UKOMUQLDZBNOPV-CYBMUJFWSA-N 1 0 393.285 2.574 20 0 GFADRO C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)c1ccc(Br)s1 ZINC000895265954 663505840 /nfs/dbraw/zinc/50/58/40/663505840.db2.gz XYNDWDQLUKRJRO-LLVKDONJSA-N 1 0 394.294 2.826 20 0 GFADRO CN1CC[C@H]([NH2+][C@H]2C(=O)NCC2(C)C)C[C@@H]1c1ccc(Br)cc1 ZINC000895323095 663508120 /nfs/dbraw/zinc/50/81/20/663508120.db2.gz YIIGRGCWAUYTDG-XHSDSOJGSA-N 1 0 380.330 2.699 20 0 GFADRO CC(C)(C)OC(=O)N1CC[C@@](C)(C[NH2+]Cc2cnc(Br)cn2)C1 ZINC000895408073 663512576 /nfs/dbraw/zinc/51/25/76/663512576.db2.gz NQSIFNJGJDQHDU-INIZCTEOSA-N 1 0 385.306 2.976 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)c1nn2c(c1Br)CCC2)c1cccs1 ZINC000895465937 663515952 /nfs/dbraw/zinc/51/59/52/663515952.db2.gz VYRCUEIGICWQKE-NSHDSACASA-N 1 0 383.315 2.686 20 0 GFADRO CC(C)(C)OC(=O)NC1(C[NH2+]C[C@H]2C[C@]2(C)Br)CCOCC1 ZINC000895591245 663520191 /nfs/dbraw/zinc/52/01/91/663520191.db2.gz OTUFNXDBCGISNN-DOMZBBRYSA-N 1 0 377.323 2.823 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)c1nn2c(c1Br)CCC2)c1ccsc1 ZINC000895646771 663522260 /nfs/dbraw/zinc/52/22/60/663522260.db2.gz KJIUSZSGJOAPIW-GFCCVEGCSA-N 1 0 383.315 2.686 20 0 GFADRO CC(C)(C)OC(=O)N1CC[C@@](C)(C[NH2+]C[C@@H](O)C(F)(F)C(F)(F)F)C1 ZINC000895678890 663522963 /nfs/dbraw/zinc/52/29/63/663522963.db2.gz XVTLZJUAJFXMFN-MFKMUULPSA-N 1 0 376.366 2.782 20 0 GFADRO Cn1cc(C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c(Br)n1 ZINC000895696378 663523840 /nfs/dbraw/zinc/52/38/40/663523840.db2.gz BNLQMJVCSJABHF-CQSZACIVSA-N 1 0 377.286 2.577 20 0 GFADRO CC[NH+]1CCN(CCCNC(=O)CCCc2ccc(Br)cc2)CC1 ZINC000895715832 663524995 /nfs/dbraw/zinc/52/49/95/663524995.db2.gz WYWRRAPYVPQZFR-UHFFFAOYSA-N 1 0 396.373 2.916 20 0 GFADRO O=S(=O)(N[C@@H]1CCCC[C@H]1[NH2+]Cc1cnc(CC(F)(F)F)s1)C1CC1 ZINC000895780985 663527323 /nfs/dbraw/zinc/52/73/23/663527323.db2.gz WUZOCWLFGUMBNM-CHWSQXEVSA-N 1 0 397.488 2.731 20 0 GFADRO COC[C@H]([NH2+][C@@H](C)[C@@H]1CCS(=O)(=O)C1)c1cccc(Br)c1 ZINC000895852475 663530300 /nfs/dbraw/zinc/53/03/00/663530300.db2.gz FYZITZZOWDLRFY-LNSITVRQSA-N 1 0 376.316 2.549 20 0 GFADRO Cn1cc(C(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)c(Br)n1 ZINC000895994630 663536521 /nfs/dbraw/zinc/53/65/21/663536521.db2.gz OCKLFFYMXAKBSZ-LBPRGKRZSA-N 1 0 397.342 2.886 20 0 GFADRO O=C(NCc1csc(C(F)(F)F)c1)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000896039060 663538675 /nfs/dbraw/zinc/53/86/75/663538675.db2.gz APEKDKQLIXNYGW-QWHCGFSZSA-N 1 0 377.432 2.508 20 0 GFADRO CSc1cc(C(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCN2C)ccc1Br ZINC000896526663 663561046 /nfs/dbraw/zinc/56/10/46/663561046.db2.gz JNNVPLHVEBMWTJ-FZMZJTMJSA-N 1 0 386.359 2.535 20 0 GFADRO C[C@@H](NC(=O)c1cccc2cccc(Br)c21)[C@@H]1C[N@H+](C)CCN1C ZINC000896539691 663562211 /nfs/dbraw/zinc/56/22/11/663562211.db2.gz AGRGIYGTOXAKOV-DYVFJYSZSA-N 1 0 390.325 2.966 20 0 GFADRO Cc1cc2cc(C(=O)N[C@@H](C)[C@@H]3C[N@H+](C)CCN3C)oc2c(Br)c1 ZINC000896551079 663563703 /nfs/dbraw/zinc/56/37/03/663563703.db2.gz WHTJTDJRGZXNBP-WFASDCNBSA-N 1 0 394.313 2.868 20 0 GFADRO C[C@H](NC(=O)c1csc(-c2ccccc2Cl)n1)[C@H]1C[N@H+](C)CCN1C ZINC000896564353 663564276 /nfs/dbraw/zinc/56/42/76/663564276.db2.gz PQYNIVDQXVLOPN-BLLLJJGKSA-N 1 0 378.929 2.828 20 0 GFADRO C[C@H](NC(=O)CSCc1ccc(Cl)cc1Cl)[C@H]1C[N@H+](C)CCN1C ZINC000896569285 663564986 /nfs/dbraw/zinc/56/49/86/663564986.db2.gz SROYLDHVWGWQGF-BLLLJJGKSA-N 1 0 390.380 2.977 20 0 GFADRO CC[NH+](CC)CCCNC(=O)C1CCN(C(=O)/C=C/C=C(Cl)Cl)CC1 ZINC000896626343 663568705 /nfs/dbraw/zinc/56/87/05/663568705.db2.gz QWXBPEMDZKRXBI-VMPITWQZSA-N 1 0 390.355 2.948 20 0 GFADRO Cn1cc(C(=O)N2CC[C@H]([N@H+](C)Cc3ccccc3)C2)c(Br)n1 ZINC000896704171 663572605 /nfs/dbraw/zinc/57/26/05/663572605.db2.gz UTAKJLAPIPHVMP-AWEZNQCLSA-N 1 0 377.286 2.529 20 0 GFADRO C[N@@H+]1C[C@@H]2CN(c3ncc(Cn4cc(Br)cn4)s3)C[C@]2(C)C1 ZINC000896912746 663581857 /nfs/dbraw/zinc/58/18/57/663581857.db2.gz FYGIMWWMYHHNNI-ABAIWWIYSA-N 1 0 382.331 2.538 20 0 GFADRO C[C@H]1CC[N@H+](CCNC(=O)N2CCCC[C@@H]2c2ncc(Br)cn2)C1 ZINC000897473452 663606845 /nfs/dbraw/zinc/60/68/45/663606845.db2.gz ZEUOCMWNGDBBTI-DZGCQCFKSA-N 1 0 396.333 2.818 20 0 GFADRO Cn1ncc(I)c1C[NH2+]CC[C@H]1CCC(C)(C)CO1 ZINC000897474534 663607037 /nfs/dbraw/zinc/60/70/37/663607037.db2.gz VEQANYBNCRKCHL-LLVKDONJSA-N 1 0 377.270 2.710 20 0 GFADRO C[C@@H]1CCC[N@@H+]1CCNC(=O)N(C)C[C@@H](O)c1ccccc1Br ZINC000897509198 663607690 /nfs/dbraw/zinc/60/76/90/663607690.db2.gz VOBVIYAYBFXKPZ-CZUORRHYSA-N 1 0 384.318 2.608 20 0 GFADRO CN(Cc1ccc(F)cc1Br)C(=O)C1C[NH+](C2CCOCC2)C1 ZINC000897553119 663609877 /nfs/dbraw/zinc/60/98/77/663609877.db2.gz URTTYDNEDXGFGX-UHFFFAOYSA-N 1 0 385.277 2.657 20 0 GFADRO Cn1cc(C(=O)NCC[NH+]2CCC3(CCCCC3)CC2)c(Br)n1 ZINC000897662995 663615096 /nfs/dbraw/zinc/61/50/96/663615096.db2.gz FTSJETZGNQIMJM-UHFFFAOYSA-N 1 0 383.334 2.959 20 0 GFADRO CC(C)(C)OC(=O)N1CC[C@@](O)(C[NH2+]Cc2ccnc(Cl)c2Cl)C1 ZINC000897693389 663615834 /nfs/dbraw/zinc/61/58/34/663615834.db2.gz JNUHNILTKKQVPF-MRXNPFEDSA-N 1 0 376.284 2.850 20 0 GFADRO Brc1ccc(C[NH2+][C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)c(N2CCOCC2)c1 ZINC000897818526 663621647 /nfs/dbraw/zinc/62/16/47/663621647.db2.gz PBUPIUXAACKVKM-DZXRDFMUSA-N 1 0 379.298 2.551 20 0 GFADRO CC(C)(C)[C@@H]1C[C@@H]([NH2+][C@@H]2Cc3cc(Br)cnc3NC2=O)CCO1 ZINC000897979279 663628843 /nfs/dbraw/zinc/62/88/43/663628843.db2.gz ZCZNUZCFAWDSQT-MJBXVCDLSA-N 1 0 382.302 2.891 20 0 GFADRO COc1nn(C)cc1C[NH2+][C@H](C)CC(=O)Nc1ccc(Br)cc1 ZINC000898029000 663630730 /nfs/dbraw/zinc/63/07/30/663630730.db2.gz CFCKDVVXVRNJCK-LLVKDONJSA-N 1 0 381.274 2.698 20 0 GFADRO C[C@@H]1CCC[N@@H+]1CCNC(=O)c1cc(Br)cnc1Br ZINC000898037910 663631042 /nfs/dbraw/zinc/63/10/42/663631042.db2.gz YSDFPSNAFFUBOZ-SECBINFHSA-N 1 0 391.107 2.821 20 0 GFADRO Ic1ccc(C[NH2+][C@H]2CCOC23CCOCC3)s1 ZINC000898116022 663634199 /nfs/dbraw/zinc/63/41/99/663634199.db2.gz NROIRTHZVYXPKN-NSHDSACASA-N 1 0 379.263 2.780 20 0 GFADRO O=c1[nH]ncc(N2CC[C@@H]([NH2+]Cc3cnc4ccc(Cl)cn34)C2)c1Cl ZINC000898364614 663644566 /nfs/dbraw/zinc/64/45/66/663644566.db2.gz NENOWKGGQWKRJR-LLVKDONJSA-N 1 0 379.251 2.505 20 0 GFADRO Cc1ccnc(C[NH2+][C@H]2CCN(c3cn[nH]c(=O)c3Cl)C2)c1Br ZINC000898372678 663645385 /nfs/dbraw/zinc/64/53/85/663645385.db2.gz WARQPGZBYUJPMP-JTQLQIEISA-N 1 0 398.692 2.670 20 0 GFADRO COc1ccc(C(=O)NC2CC[NH+](C3CCOCC3)CC2)c(Br)c1 ZINC000898631347 663658337 /nfs/dbraw/zinc/65/83/37/663658337.db2.gz UOIGXUOCYLRACV-UHFFFAOYSA-N 1 0 397.313 2.831 20 0 GFADRO COC(=O)c1cc(C[NH2+][C@@H]2CCc3ncc(Br)n3C2)[nH]c1C(C)C ZINC000898720274 663660538 /nfs/dbraw/zinc/66/05/38/663660538.db2.gz LGHPULZZIPZYOQ-LLVKDONJSA-N 1 0 395.301 2.988 20 0 GFADRO C[C@@H]([NH2+][C@H]1CCc2ncc(Br)n2C1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000898720610 663660557 /nfs/dbraw/zinc/66/05/57/663660557.db2.gz MHIFNOBUBREOSK-YPMHNXCESA-N 1 0 399.333 2.805 20 0 GFADRO Cn1c(Cl)nc(Cl)c1C[NH2+][C@H]1CCc2ncc(Br)n2C1 ZINC000898723949 663661057 /nfs/dbraw/zinc/66/10/57/663661057.db2.gz KOVSRTXFQTXGIR-ZETCQYMHSA-N 1 0 379.089 2.791 20 0 GFADRO FC(F)(F)CCN1CCC([NH2+][C@@H]2CCc3ncc(Br)n3C2)CC1 ZINC000898724553 663661360 /nfs/dbraw/zinc/66/13/60/663661360.db2.gz NLQZNUPBNBBCPQ-GFCCVEGCSA-N 1 0 395.267 2.967 20 0 GFADRO Brc1cnc2n1C[C@@H]([NH2+]Cc1cncc(Br)c1)CC2 ZINC000898725653 663661579 /nfs/dbraw/zinc/66/15/79/663661579.db2.gz UORRESDWPQFRMG-NSHDSACASA-N 1 0 386.091 2.908 20 0 GFADRO O=C(NCC[NH+]1CCCC1)c1cc(Br)nn1-c1ncccc1Cl ZINC000900011437 663706465 /nfs/dbraw/zinc/70/64/65/663706465.db2.gz TZBDCMDHUSTWDP-UHFFFAOYSA-N 1 0 398.692 2.509 20 0 GFADRO C[C@@H](Cc1ccc(Br)cc1)NC(=O)c1ccnn1CC[NH+](C)C ZINC000900216047 663709974 /nfs/dbraw/zinc/70/99/74/663709974.db2.gz WOYKZEJEDFFASY-ZDUSSCGKSA-N 1 0 379.302 2.568 20 0 GFADRO COCC[N@@H+]1CCCN(C(=O)Cc2c[nH]c3ccc(Br)cc23)CC1 ZINC000900373953 663713377 /nfs/dbraw/zinc/71/33/77/663713377.db2.gz JXNNIJVYBQOQCW-UHFFFAOYSA-N 1 0 394.313 2.654 20 0 GFADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)c1nnc(C2CC2)o1 ZINC000900418483 663714346 /nfs/dbraw/zinc/71/43/46/663714346.db2.gz QCNOAWVZFYSKPV-UHFFFAOYSA-N 1 0 393.285 2.914 20 0 GFADRO O=C(c1cc2ncc(Br)cn2n1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000900782828 663721404 /nfs/dbraw/zinc/72/14/04/663721404.db2.gz PBRXULBNKYJIIO-UHFFFAOYSA-N 1 0 392.301 2.582 20 0 GFADRO C[C@@H](NC(=O)c1c(Cl)cc(F)cc1Br)[C@H]1C[N@H+](C)CCN1C ZINC000900811940 663722153 /nfs/dbraw/zinc/72/21/53/663722153.db2.gz PVOQJZQAIAWVQM-NOZJJQNGSA-N 1 0 392.700 2.606 20 0 GFADRO C[N@@H+]1CCC[C@H](CNC(=O)CN2CSCCSC2)[C@@H]1c1cccs1 ZINC000900826771 663722346 /nfs/dbraw/zinc/72/23/46/663722346.db2.gz NVOMYTQXXIGVII-RHSMWYFYSA-N 1 0 385.624 2.944 20 0 GFADRO COC1CC[NH+](CCNC(=O)Cc2c[nH]c3ccc(Br)cc23)CC1 ZINC000900983278 663728187 /nfs/dbraw/zinc/72/81/87/663728187.db2.gz ZHGXHEUNGVJHFS-UHFFFAOYSA-N 1 0 394.313 2.700 20 0 GFADRO C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)NCc1ccc(Br)cc1C(F)(F)F ZINC000901264780 663733113 /nfs/dbraw/zinc/73/31/13/663733113.db2.gz BKJCLGBYKBEIFV-BXUZGUMPSA-N 1 0 395.219 2.539 20 0 GFADRO Cc1nc(-c2cc3c(s2)CCN(C(=O)[C@]2(C)C[C@H](O)C[N@H+]2C)C3)cs1 ZINC000901301015 663733890 /nfs/dbraw/zinc/73/38/90/663733890.db2.gz GYCDDNHSSPIAEQ-UGSOOPFHSA-N 1 0 377.535 2.520 20 0 GFADRO C[NH+]1CCN(c2ccccc2NC(=O)c2cnc(Br)s2)CC1 ZINC000901514769 663736955 /nfs/dbraw/zinc/73/69/55/663736955.db2.gz FESALIZHFUMZST-UHFFFAOYSA-N 1 0 381.299 2.910 20 0 GFADRO CCc1noc([C@@H]2CC[C@H]([NH2+][C@@H](C(N)=O)c3cccc(Br)c3)C2)n1 ZINC000901618330 663739625 /nfs/dbraw/zinc/73/96/25/663739625.db2.gz GLRCYLUGQMMZFZ-OSAQELSMSA-N 1 0 393.285 2.847 20 0 GFADRO C[C@@H]([NH2+][C@@H]1CCc2ncc(Br)n2C1)C(=O)Nc1cccnc1Cl ZINC000901728497 663743838 /nfs/dbraw/zinc/74/38/38/663743838.db2.gz OBZUYBCFDNJOID-NXEZZACHSA-N 1 0 398.692 2.626 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCc2ncc(Br)n2C1)C(=O)N(C)Cc1ccccc1 ZINC000901729716 663743988 /nfs/dbraw/zinc/74/39/88/663743988.db2.gz SMRIXWRWJVPBCB-DZGCQCFKSA-N 1 0 391.313 2.597 20 0 GFADRO CC[NH+]1CCC(NS(=O)(=O)c2c[nH]c3c2cccc3Br)CC1 ZINC000901839017 663747684 /nfs/dbraw/zinc/74/76/84/663747684.db2.gz LGYQDTJRQKVZGI-UHFFFAOYSA-N 1 0 386.315 2.693 20 0 GFADRO CCC(=O)N1CC[C@H]([NH2+][C@@H](C)c2cccc(S(=O)(=O)C(F)(F)F)c2)C1 ZINC000903112902 663774168 /nfs/dbraw/zinc/77/41/68/663774168.db2.gz KLJYRWIPBDHXQV-AAEUAGOBSA-N 1 0 378.416 2.642 20 0 GFADRO Clc1ccc(C[NH2+][C@H]2CCO[C@@]23CCOC3)c(I)c1 ZINC000903161729 663776444 /nfs/dbraw/zinc/77/64/44/663776444.db2.gz WJQAYRNQTKZLGT-UONOGXRCSA-N 1 0 393.652 2.982 20 0 GFADRO C[C@@H]([NH2+]CC1([S@@](C)=O)CCC1)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000903167196 663776749 /nfs/dbraw/zinc/77/67/49/663776749.db2.gz IBXPLHPJESGIMS-QVQLBTGDSA-N 1 0 383.457 2.932 20 0 GFADRO C[C@@H]([NH2+][C@H](C)C1(S(C)(=O)=O)CC1)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000903169962 663776865 /nfs/dbraw/zinc/77/68/65/663776865.db2.gz DSYDJVQGZOEPTN-GHMZBOCLSA-N 1 0 399.456 2.596 20 0 GFADRO C[C@@H]([NH2+]CC[C@@]1(O)CCCOC1)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000903197000 663778037 /nfs/dbraw/zinc/77/80/37/663778037.db2.gz UKVUPCRDRKIRDX-DOMZBBRYSA-N 1 0 381.416 2.562 20 0 GFADRO O=S(=O)(/C=C/c1cccc(Br)c1)N1CCC([NH+]2CCC2)CC1 ZINC000903202585 663778262 /nfs/dbraw/zinc/77/82/62/663778262.db2.gz DXFVKOLSSJFZPF-KPKJPENVSA-N 1 0 385.327 2.920 20 0 GFADRO CN1C[C@H](CC[NH2+][C@H]2CCc3ccc(I)cc32)CC1=O ZINC000903211189 663778632 /nfs/dbraw/zinc/77/86/32/663778632.db2.gz RQAHEAIBGBZXAR-ABAIWWIYSA-N 1 0 384.261 2.737 20 0 GFADRO C[C@@H]([NH2+]CC1CC2(C1)OCCO2)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000903225454 663779174 /nfs/dbraw/zinc/77/91/74/663779174.db2.gz GMZPVVHCXITCCQ-LLVKDONJSA-N 1 0 379.400 2.784 20 0 GFADRO C[C@H](Cc1c(Cl)cccc1Cl)[NH2+]CCS(=O)(=O)N=S(C)(C)=O ZINC000903229524 663779403 /nfs/dbraw/zinc/77/94/03/663779403.db2.gz IIABRAKVSFMISS-SNVBAGLBSA-N 1 0 387.354 2.571 20 0 GFADRO C[C@H]([NH2+]C[C@@H]1CCCC[C@H]1NS(C)(=O)=O)c1ccc(C(F)(F)F)cn1 ZINC000903232332 663779941 /nfs/dbraw/zinc/77/99/41/663779941.db2.gz WACKTHABKBEONJ-SLEUVZQESA-N 1 0 379.448 2.859 20 0 GFADRO CC[C@@H]([NH2+]C[C@@]1(OC)CCS(=O)(=O)C1)c1ccc(Br)cc1 ZINC000903368742 663783182 /nfs/dbraw/zinc/78/31/82/663783182.db2.gz QOVOBYIPAXLEQI-CABCVRRESA-N 1 0 376.316 2.694 20 0 GFADRO C[C@H]1CN(S(=O)(=O)c2c[nH]c3cc(Br)ccc32)CC[C@H]1C[NH3+] ZINC000903519943 663786983 /nfs/dbraw/zinc/78/69/83/663786983.db2.gz CBAQZAGDSCOSJN-QWRGUYRKSA-N 1 0 386.315 2.536 20 0 GFADRO C[NH2+]C[C@@H]1CCCCN1Cc1csc(-c2ccc(S(C)(=O)=O)cc2)n1 ZINC000903528751 663787442 /nfs/dbraw/zinc/78/74/42/663787442.db2.gz TTZFWIUKZYZMLG-INIZCTEOSA-N 1 0 379.551 2.788 20 0 GFADRO Cc1cc(Br)c(S(=O)(=O)N2CCC[C@H]3CC[C@@]32C[NH3+])s1 ZINC000903536343 663787770 /nfs/dbraw/zinc/78/77/70/663787770.db2.gz BIKONFIGILJLPN-GXFFZTMASA-N 1 0 379.345 2.711 20 0 GFADRO O=S(=O)(c1ccc(Cl)cc1Cl)N1CC[NH2+]CCC12CCOCC2 ZINC000903549817 663788359 /nfs/dbraw/zinc/78/83/59/663788359.db2.gz SEAUXZSAPYRRGG-UHFFFAOYSA-N 1 0 379.309 2.527 20 0 GFADRO Cc1nc(S(=O)(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)c(-c2ccccc2)s1 ZINC000903573249 663789500 /nfs/dbraw/zinc/78/95/00/663789500.db2.gz SYIBJZUNXGPGIB-VXGBXAGGSA-N 1 0 391.440 2.629 20 0 GFADRO [NH3+][C@H]1CN(S(=O)(=O)c2cccc(Cl)c2Cl)CC[C@H]1C(F)(F)F ZINC000903579023 663790056 /nfs/dbraw/zinc/79/00/56/663790056.db2.gz LEUWEIRUDBVRBE-APPZFPTMSA-N 1 0 377.215 2.894 20 0 GFADRO O=C(c1ccc(Br)cc1)N1CCN(C[C@@H]2CCCC[NH2+]C2)CC1 ZINC000903725592 663805112 /nfs/dbraw/zinc/80/51/12/663805112.db2.gz DGNOGSYVQIVZEN-OAHLLOKOSA-N 1 0 380.330 2.597 20 0 GFADRO Brc1ccc([C@@H]2COCCN2C[C@H]2C[C@]3(CC[NH2+]C3)CO2)cc1 ZINC000903767149 663806134 /nfs/dbraw/zinc/80/61/34/663806134.db2.gz UTEDQYGMZSQKPR-SQNIBIBYSA-N 1 0 381.314 2.591 20 0 GFADRO Brc1cnc([C@@H]2CCCCN2C[C@H]2C[C@]3(CC[NH2+]C3)CO2)nc1 ZINC000903787407 663806802 /nfs/dbraw/zinc/80/68/02/663806802.db2.gz VWSBEAROSQUDEU-VYDXJSESSA-N 1 0 381.318 2.535 20 0 GFADRO COCC[C@H]1C[NH2+]CCN1CC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000903833417 663807973 /nfs/dbraw/zinc/80/79/73/663807973.db2.gz WDNJYGDASAYKAB-LBPRGKRZSA-N 1 0 379.810 2.608 20 0 GFADRO COc1ccc(Br)c(CN(C)C[C@H](C[NH3+])Cc2cnn(C)c2C)c1 ZINC000903913607 663811258 /nfs/dbraw/zinc/81/12/58/663811258.db2.gz PVIFBEXOLIMLMW-AWEZNQCLSA-N 1 0 395.345 2.749 20 0 GFADRO O=S1(=O)CCNC[C@@H]1CC[NH2+]Cc1ccc(-c2ccccc2Cl)s1 ZINC000903967932 663814038 /nfs/dbraw/zinc/81/40/38/663814038.db2.gz GUAXOGKMLZNDDR-AWEZNQCLSA-N 1 0 384.954 2.935 20 0 GFADRO O=C1O[C@H](c2nc([C@H]3CCC[NH2+]C3)no2)Cc2ccc(Br)cc21 ZINC000904073287 663822541 /nfs/dbraw/zinc/82/25/41/663822541.db2.gz KUQDMEKYECTUQQ-GWCFXTLKSA-N 1 0 378.226 2.753 20 0 GFADRO Fc1cccc(Cc2noc([C@H]3[C@@H]4CC[NH2+]C[C@@H]43)n2)c1I ZINC000904104214 663824547 /nfs/dbraw/zinc/82/45/47/663824547.db2.gz NXLLNFLZXTUJHS-NRUUGDAUSA-N 1 0 399.207 2.727 20 0 GFADRO Brc1cccc(-c2nc(-c3noc([C@@H]4[C@@H]5CC[NH2+]C[C@@H]54)n3)n[nH]2)c1 ZINC000904117249 663825071 /nfs/dbraw/zinc/82/50/71/663825071.db2.gz VSKZARRKJCCIBM-GRYCIOLGSA-N 1 0 387.241 2.607 20 0 GFADRO C[C@@H]1CCCN(C(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)[C@H]1CC[NH3+] ZINC000904278378 663829911 /nfs/dbraw/zinc/82/99/11/663829911.db2.gz HSAKZMDHSNCDKD-RISCZKNCSA-N 1 0 375.441 2.664 20 0 GFADRO O=C(Nc1ccc(I)cc1Cl)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000904287809 663830215 /nfs/dbraw/zinc/83/02/15/663830215.db2.gz ZCBCWMHVFXHIGP-JFUSQASVSA-N 1 0 391.640 2.959 20 0 GFADRO [NH3+]C[C@]12CC[C@H]1CCN2C(=O)Nc1cc(Br)ccc1-n1cccn1 ZINC000904337061 663830701 /nfs/dbraw/zinc/83/07/01/663830701.db2.gz ZMWVNFAWNMEHJI-YVEFUNNKSA-N 1 0 390.285 2.980 20 0 GFADRO Nc1ccc(C[NH+]2CCC(C(=O)Nc3cccc(Br)c3)CC2)nn1 ZINC000904338102 663830742 /nfs/dbraw/zinc/83/07/42/663830742.db2.gz MDGAGAMNFXVSML-UHFFFAOYSA-N 1 0 390.285 2.672 20 0 GFADRO O=C(Nc1nnc(-c2cccc(Br)c2)s1)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000904424050 663833702 /nfs/dbraw/zinc/83/37/02/663833702.db2.gz BRADNQOMNRPJMS-GRYCIOLGSA-N 1 0 394.298 2.982 20 0 GFADRO COc1cc(OC)c(NC(=O)N2CCC[C@]23CC[NH2+]C3)cc1Br ZINC000904429065 663833889 /nfs/dbraw/zinc/83/38/89/663833889.db2.gz WBEYTEHEGYZXCJ-MRXNPFEDSA-N 1 0 384.274 2.826 20 0 GFADRO CN1C[C@@H]2C[N@H+](Cn3ccc(=O)c4cccc(Br)c43)C[C@]2(C)C1 ZINC000904436409 663834282 /nfs/dbraw/zinc/83/42/82/663834282.db2.gz KQRVGHJPFPZQHL-ACJLOTCBSA-N 1 0 376.298 2.605 20 0 GFADRO COCC[C@@H]1C[NH2+]CCN1C(=O)Nc1cc(F)cc(Br)c1F ZINC000904453784 663835081 /nfs/dbraw/zinc/83/50/81/663835081.db2.gz UEHDWFQMOOYEKE-SNVBAGLBSA-N 1 0 378.217 2.570 20 0 GFADRO COC[C@H]1C[NH2+]CCN1C(=O)Nc1cc(F)c(Br)cc1Cl ZINC000904462339 663835330 /nfs/dbraw/zinc/83/53/30/663835330.db2.gz HWRMASQVZMCRQQ-MRVPVSSYSA-N 1 0 380.645 2.694 20 0 GFADRO CN(C(=O)Nc1ccc(Cl)cc1OCC(F)F)C1(C[NH3+])CCOCC1 ZINC000904484885 663835981 /nfs/dbraw/zinc/83/59/81/663835981.db2.gz PTJXRDNXJBFWLF-UHFFFAOYSA-N 1 0 377.819 2.956 20 0 GFADRO COC[C@H]1C[NH2+]CCN1C(=O)Nc1ccc(Br)c(OC(C)C)c1 ZINC000904532220 663837014 /nfs/dbraw/zinc/83/70/14/663837014.db2.gz ZEHHMVWUTOQUCW-CYBMUJFWSA-N 1 0 386.290 2.688 20 0 GFADRO COCCOc1ccc(NC(=O)N2CCC[C@@H]3[NH2+]CC[C@H]32)cc1Br ZINC000904549917 663837526 /nfs/dbraw/zinc/83/75/26/663837526.db2.gz YVXYLRUXHVFFSC-LSDHHAIUSA-N 1 0 398.301 2.833 20 0 GFADRO Brc1ccc(C2(c3nc(Cn4cccn4)no3)CC[NH2+]CC2)cc1 ZINC000904557861 663838398 /nfs/dbraw/zinc/83/83/98/663838398.db2.gz LGOBJLNJPQQMDJ-UHFFFAOYSA-N 1 0 388.269 2.746 20 0 GFADRO [NH3+]CCN1CCC[C@H](c2nc(COc3cccc(Cl)c3Cl)no2)C1=O ZINC000904733914 663842741 /nfs/dbraw/zinc/84/27/41/663842741.db2.gz RXGGRKIJKZDFOC-SNVBAGLBSA-N 1 0 385.251 2.620 20 0 GFADRO O=S1(=O)CCc2nc(-c3cccc(OCC[NH+]4CCCC4)c3)sc2C1 ZINC000904875287 663845860 /nfs/dbraw/zinc/84/58/60/663845860.db2.gz MNTREHNGYXQYAQ-UHFFFAOYSA-N 1 0 378.519 2.756 20 0 GFADRO O[C@@H](CCC1(O)CCC1)C[NH2+][C@H]1CCN(c2cccc(Br)c2)C1 ZINC000905237289 663861594 /nfs/dbraw/zinc/86/15/94/663861594.db2.gz HYBUQJWRGQNMMO-RDJZCZTQSA-N 1 0 383.330 2.674 20 0 GFADRO C[C@](O)(C[NH2+]CCCCn1cc(Br)cn1)C(F)(F)C(F)(F)F ZINC000905244066 663862220 /nfs/dbraw/zinc/86/22/20/663862220.db2.gz UYSDSJMSHKPHRU-JTQLQIEISA-N 1 0 394.182 2.964 20 0 GFADRO CCN(Cc1cccc(Br)c1)S(=O)(=O)CC1CC[NH2+]CC1 ZINC000905333992 663866198 /nfs/dbraw/zinc/86/61/98/663866198.db2.gz AWHDURFJUWPVAR-UHFFFAOYSA-N 1 0 375.332 2.600 20 0 GFADRO O[C@H](C[C@H](O)C[NH2+]C[C@@H](O)c1ccccc1Br)c1ccccc1 ZINC000905366611 663867616 /nfs/dbraw/zinc/86/76/16/663867616.db2.gz HALWYQRXDOHFRU-BMGDILEWSA-N 1 0 380.282 2.557 20 0 GFADRO CC(C)[NH+](CCNC(=O)c1cc(Br)cn(C2CC2)c1=O)C(C)C ZINC000905389605 663869207 /nfs/dbraw/zinc/86/92/07/663869207.db2.gz AVRSQYQFJNOXPK-UHFFFAOYSA-N 1 0 384.318 2.794 20 0 GFADRO C[C@H](C[NH2+]C[C@@](C)(O)C(F)(F)C(F)(F)F)c1ccc(S(C)(=O)=O)cc1 ZINC000905403387 663869976 /nfs/dbraw/zinc/86/99/76/663869976.db2.gz BKYGERMSTKCQMH-ZWNOBZJWSA-N 1 0 389.386 2.732 20 0 GFADRO O[C@@H](C[NH2+]C[C@H](O)C(F)(F)C(F)(F)F)c1ccccc1Br ZINC000905447381 663871964 /nfs/dbraw/zinc/87/19/64/663871964.db2.gz QNSCIJZTPFQCIR-UWVGGRQHSA-N 1 0 378.135 2.631 20 0 GFADRO O=S(=O)(CC[NH2+]C[C@H]1CC2(CCC2)CO1)c1cccc(Br)c1 ZINC000905474740 663873105 /nfs/dbraw/zinc/87/31/05/663873105.db2.gz ROXXBERELMKABT-CQSZACIVSA-N 1 0 388.327 2.772 20 0 GFADRO C[C@@H]1C[C@]2(CC[C@H](C[NH2+]C[C@H](O)c3ccc(F)c(Br)c3)O2)CO1 ZINC000905489338 663873896 /nfs/dbraw/zinc/87/38/96/663873896.db2.gz ZODSPDMBPBXTFA-HQQPKKBNSA-N 1 0 388.277 2.938 20 0 GFADRO Cn1cc(C[NH2+]C[C@H](O)CO[C@H]2CCCc3ccccc32)c(Br)n1 ZINC000905520846 663876092 /nfs/dbraw/zinc/87/60/92/663876092.db2.gz MGQOPLFVZWBPEU-RDJZCZTQSA-N 1 0 394.313 2.727 20 0 GFADRO Cn1nc(C(F)(F)F)cc1C[NH2+]C[C@H](O)COCc1ccccc1Cl ZINC000905569422 663878874 /nfs/dbraw/zinc/87/88/74/663878874.db2.gz SOOBDFAJLXBJNC-ZDUSSCGKSA-N 1 0 377.794 2.760 20 0 GFADRO C[C@@](O)(C[NH2+]CCOC1CCOCC1)c1ccc(Br)cc1F ZINC000905609130 663881125 /nfs/dbraw/zinc/88/11/25/663881125.db2.gz MZYLJYJKPXLXMT-MRXNPFEDSA-N 1 0 376.266 2.581 20 0 GFADRO CC(C)(O)C[C@@H](O)C[NH2+]Cc1ccc(Br)c(Br)c1 ZINC000905654838 663884022 /nfs/dbraw/zinc/88/40/22/663884022.db2.gz RLEQFXUSKXJTBU-SNVBAGLBSA-N 1 0 381.108 2.823 20 0 GFADRO COC(=O)[C@@H]1C[C@@H]2C[C@H]([NH2+]C[C@H](O)COc3c(Cl)cccc3Cl)[C@@H]2C1 ZINC000905654868 663884066 /nfs/dbraw/zinc/88/40/66/663884066.db2.gz RVZZKFINGPMMDQ-VBTGVMJWSA-N 1 0 388.291 2.910 20 0 GFADRO Cc1nc([C@H]2CC[N@H+](Cn3ccc(=O)c4cccc(Br)c43)C2)no1 ZINC000905682396 663886101 /nfs/dbraw/zinc/88/61/01/663886101.db2.gz HSTMKXCUXGFCPR-LBPRGKRZSA-N 1 0 389.253 2.902 20 0 GFADRO Cn1cc([C@@]2(C[NH2+]C[C@@H](O)c3ccc(Br)cc3)CCCO2)cn1 ZINC000905688647 663886355 /nfs/dbraw/zinc/88/63/55/663886355.db2.gz XTPSWUAZHSBLOM-SJORKVTESA-N 1 0 380.286 2.512 20 0 GFADRO C[C@]1(C2CCN(Cn3ncc(Br)c3C3CC3)CC2)COC(=O)N1 ZINC000905710001 663888144 /nfs/dbraw/zinc/88/81/44/663888144.db2.gz FAZJVONOHJIBLV-MRXNPFEDSA-N 1 0 383.290 2.691 20 0 GFADRO COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@@H](O)COc2cccc(Br)c2)C1 ZINC000905709216 663888213 /nfs/dbraw/zinc/88/82/13/663888213.db2.gz IPPCTNOTJXNZDH-VHDGCEQUSA-N 1 0 386.286 2.510 20 0 GFADRO CC(C)[NH+]1CCC(N(C)C(=O)c2cc(Br)cn(C3CC3)c2=O)CC1 ZINC000905773180 663892029 /nfs/dbraw/zinc/89/20/29/663892029.db2.gz CRQLKSPOIVXUSL-UHFFFAOYSA-N 1 0 396.329 2.891 20 0 GFADRO NC(=O)[C@H]([NH2+]C[C@H]1CCC2(CCOCC2)CO1)c1cccc(Br)c1 ZINC000905779886 663892032 /nfs/dbraw/zinc/89/20/32/663892032.db2.gz FAXGYODVAVDELW-HZPDHXFCSA-N 1 0 397.313 2.541 20 0 GFADRO OCC1(C[C@H](O)C[NH2+]C[C@@H](O)COc2cccc(Cl)c2Cl)CCCC1 ZINC000905918335 663900995 /nfs/dbraw/zinc/90/09/95/663900995.db2.gz GSSVATSNQIYIKB-UONOGXRCSA-N 1 0 392.323 2.626 20 0 GFADRO C[NH+](C)[C@H]1CCc2ccccc2N(C(=O)c2ncc(Br)cn2)C1 ZINC000906031945 663911819 /nfs/dbraw/zinc/91/18/19/663911819.db2.gz OYWOBFQUAHXOBQ-AWEZNQCLSA-N 1 0 375.270 2.762 20 0 GFADRO CC(C)CN(CC1CC[NH+](C)CC1)C(=O)C1(n2cc(Br)cn2)CC1 ZINC000906114312 663926307 /nfs/dbraw/zinc/92/63/07/663926307.db2.gz IWSYSAGXXHCSND-UHFFFAOYSA-N 1 0 397.361 2.961 20 0 GFADRO COC(=O)c1nc(C(=O)NCC2CC[NH+](Cc3cccs3)CC2)cs1 ZINC000906456250 663949541 /nfs/dbraw/zinc/94/95/41/663949541.db2.gz DZSBYVMYXKAENC-UHFFFAOYSA-N 1 0 379.507 2.633 20 0 GFADRO CC[NH+]1CCC(n2nccc2NC(=O)C[C@@H](O)C(Cl)(Cl)Cl)CC1 ZINC000906523320 663955750 /nfs/dbraw/zinc/95/57/50/663955750.db2.gz GVVONMYQCVVDQJ-LLVKDONJSA-N 1 0 383.707 2.600 20 0 GFADRO C[NH+](C)C[C@@H]1CCCCN1C(=O)c1cc(Br)cn(C2CC2)c1=O ZINC000906565309 663958756 /nfs/dbraw/zinc/95/87/56/663958756.db2.gz DSSZDYZNAHIRFU-AWEZNQCLSA-N 1 0 382.302 2.502 20 0 GFADRO O=C(NC[C@@H]1CCCCC[NH2+]1)C(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000906732784 663967306 /nfs/dbraw/zinc/96/73/06/663967306.db2.gz PGQVOUUTCOFPIJ-NSHDSACASA-N 1 0 375.803 2.528 20 0 GFADRO CN(C(=O)c1ccc(Cn2cc(Br)cn2)s1)[C@H]1CCC[N@H+](C)C1 ZINC000906800019 663972239 /nfs/dbraw/zinc/97/22/39/663972239.db2.gz YNCZSYDGYFVUQW-ZDUSSCGKSA-N 1 0 397.342 2.922 20 0 GFADRO CCOC(=O)C[C@H](NC(=O)Cc1c[nH]cn1)c1cccc(Br)c1 ZINC000907332681 664024311 /nfs/dbraw/zinc/02/43/11/664024311.db2.gz ZQZFSXOFFHWEJH-AWEZNQCLSA-N 1 0 380.242 2.525 20 0 GFADRO Cc1ccc(C[N@H+]2CC[C@H](CN(C)S(=O)(=O)[C@@H]3COC(C)(C)C3)C2)s1 ZINC000907345799 664025994 /nfs/dbraw/zinc/02/59/94/664025994.db2.gz JKNPPVMXBITVMH-WBVHZDCISA-N 1 0 386.583 2.708 20 0 GFADRO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)S(=O)(=O)C[C@@H]3CCCCO3)C2)s1 ZINC000907347946 664027312 /nfs/dbraw/zinc/02/73/12/664027312.db2.gz YCWAFARIWZUOIS-IRXDYDNUSA-N 1 0 386.583 2.709 20 0 GFADRO O=C(N1CCO[C@@H](c2ccc(F)c(Br)c2)C1)C12CC[NH+](CC1)C2 ZINC000907468648 664037323 /nfs/dbraw/zinc/03/73/23/664037323.db2.gz WPYMEFOSWRRHEK-OAHLLOKOSA-N 1 0 383.261 2.584 20 0 GFADRO C[NH+](C)CCn1nccc1C(=O)N[C@H]1CSc2ccc(Br)cc21 ZINC000907819114 664063549 /nfs/dbraw/zinc/06/35/49/664063549.db2.gz ZXNQEJZHTPMRLE-ZDUSSCGKSA-N 1 0 395.326 2.784 20 0 GFADRO Cc1csc(-c2ccc(S(=O)(=O)N3CCC34CC[NH+](C)CC4)cc2)n1 ZINC000907857017 664066451 /nfs/dbraw/zinc/06/64/51/664066451.db2.gz GRQPUGFEQDMLON-UHFFFAOYSA-N 1 0 377.535 2.977 20 0 GFADRO Cn1cc(CN(CCn2ccnc2)C(=O)c2ccnc(Cl)c2Cl)cn1 ZINC000908068704 664080636 /nfs/dbraw/zinc/08/06/36/664080636.db2.gz ZLVLPRZDDPUYPV-UHFFFAOYSA-N 1 0 379.251 2.661 20 0 GFADRO C[NH+](C)CCn1nccc1C(=O)N[C@@H](CCO)c1ccc(Cl)c(Cl)c1 ZINC000908149785 664088141 /nfs/dbraw/zinc/08/81/41/664088141.db2.gz FPZGWZSDEQUYGG-HNNXBMFYSA-N 1 0 385.295 2.605 20 0 GFADRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1cccn2ncc(Br)c12 ZINC000908190080 664090792 /nfs/dbraw/zinc/09/07/92/664090792.db2.gz NWWOPNKAFGWMKW-IUODEOHRSA-N 1 0 377.286 2.796 20 0 GFADRO Cc1cc(C)c(CC(=O)N2CC[C@H]([N@@H+]3CC[C@H](O)C3)C2)c(C)c1Br ZINC000908198995 664091362 /nfs/dbraw/zinc/09/13/62/664091362.db2.gz BILIBQKBEKLNLD-HOTGVXAUSA-N 1 0 395.341 2.584 20 0 GFADRO C[N@@H+]1C[C@H]2CCN(C(=O)c3ccc(Cn4cc(Br)cn4)s3)[C@@H]2C1 ZINC000908345255 664100919 /nfs/dbraw/zinc/10/09/19/664100919.db2.gz AELGMCPRXFICEY-BXUZGUMPSA-N 1 0 395.326 2.532 20 0 GFADRO C[C@@H]1CN(C(=O)c2nn3c(c2Br)CCC3)CC[N@@H+](C2CCC2)C1 ZINC000908356867 664101444 /nfs/dbraw/zinc/10/14/44/664101444.db2.gz CJNHVQFPFJDDRN-LBPRGKRZSA-N 1 0 381.318 2.538 20 0 GFADRO CC(C)[NH+]1CCN(CCCC(=O)Nc2nc(CC(F)(F)F)cs2)CC1 ZINC000908453933 664107677 /nfs/dbraw/zinc/10/76/77/664107677.db2.gz FUXJIJMTAHUYPT-UHFFFAOYSA-N 1 0 378.464 2.993 20 0 GFADRO Cc1c(Br)cc(C(=O)N2CC[N@H+](C)C3(CCCCC3)C2)c(=O)n1C ZINC000908571565 664114944 /nfs/dbraw/zinc/11/49/44/664114944.db2.gz XYQIDFUNTIFHNP-UHFFFAOYSA-N 1 0 396.329 2.547 20 0 GFADRO CC(C)[NH2+]C1(CO)CCN(C(=O)C[C@H](O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000908601803 664116715 /nfs/dbraw/zinc/11/67/15/664116715.db2.gz JRRATMPISVYBTI-INIZCTEOSA-N 1 0 389.323 2.768 20 0 GFADRO Cc1ccc(F)c(Br)c1C(=O)N1CCC(CO)([NH2+]C(C)C)CC1 ZINC000908610839 664117832 /nfs/dbraw/zinc/11/78/32/664117832.db2.gz TVYHWPSHVJIOSB-UHFFFAOYSA-N 1 0 387.293 2.862 20 0 GFADRO C[NH+](C)CCn1nccc1C(=O)NC/C=C\c1ccc(Br)cc1 ZINC000908672788 664120865 /nfs/dbraw/zinc/12/08/65/664120865.db2.gz DTSNFLSFTHQILP-ARJAWSKDSA-N 1 0 377.286 2.650 20 0 GFADRO C[N@@H+]1CCC[C@@](O)(CC(=O)NCc2cccc(Br)c2Cl)C1 ZINC000910408587 664209927 /nfs/dbraw/zinc/20/99/27/664209927.db2.gz QLZPZVLOZDLISX-OAHLLOKOSA-N 1 0 375.694 2.566 20 0 GFADRO COc1cc(F)c(Br)cc1NC(=O)c1ccnn1CC[NH+](C)C ZINC000910917200 664231009 /nfs/dbraw/zinc/23/10/09/664231009.db2.gz NQBOYHLLTTUCRF-UHFFFAOYSA-N 1 0 385.237 2.607 20 0 GFADRO C[C@H](NC(=O)C(=O)N1CC[C@H](CC[NH3+])C1)c1cc(F)c(Cl)cc1Cl ZINC000910963719 664231953 /nfs/dbraw/zinc/23/19/53/664231953.db2.gz URKAVHUZZLDATR-UWVGGRQHSA-N 1 0 376.259 2.507 20 0 GFADRO C[C@@H](NC(=O)C(=O)NC[C@@H]1CC[C@H]([NH3+])C1)c1cc(F)c(Cl)cc1Cl ZINC000910964290 664232025 /nfs/dbraw/zinc/23/20/25/664232025.db2.gz YJNFXSDTXIHYSH-BBBLOLIVSA-N 1 0 376.259 2.553 20 0 GFADRO CCC[N@H+](C)CC(=O)N1CCc2[nH]cnc2[C@H]1c1ccc(Br)cc1 ZINC000911253331 664240572 /nfs/dbraw/zinc/24/05/72/664240572.db2.gz TZBCVMPUWKCFFA-GOSISDBHSA-N 1 0 391.313 2.988 20 0 GFADRO [NH3+][C@@H]1CC[C@H](CNC(=O)C(=O)N(Cc2cccs2)Cc2cccs2)C1 ZINC000911484184 664246157 /nfs/dbraw/zinc/24/61/57/664246157.db2.gz DPONJZYYQMTSTR-UONOGXRCSA-N 1 0 377.535 2.582 20 0 GFADRO O=C(C[C@@H]1C(=O)Nc2ccc(Br)cc21)N(C1CC1)C1CC[NH2+]CC1 ZINC000911676305 664252515 /nfs/dbraw/zinc/25/25/15/664252515.db2.gz GJRWPRDOOCZZOG-HNNXBMFYSA-N 1 0 392.297 2.618 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C[C@@H]1c2cc(Br)ccc2NC1=O ZINC000911682712 664252832 /nfs/dbraw/zinc/25/28/32/664252832.db2.gz CJSKTQQYRFZEHL-PSOPSSQASA-N 1 0 380.286 2.603 20 0 GFADRO C[NH2+][C@@H]1CCCN(C(=O)c2cc(C)n(-c3ccccc3Br)n2)C1 ZINC000911736176 664254791 /nfs/dbraw/zinc/25/47/91/664254791.db2.gz PNEICWURHFWWES-CYBMUJFWSA-N 1 0 377.286 2.767 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)c2cc3ccc(Br)cc3c(=O)o2)C1 ZINC000911825440 664257499 /nfs/dbraw/zinc/25/74/99/664257499.db2.gz ODSYNKNZLDESHI-PWSUYJOCSA-N 1 0 379.254 2.755 20 0 GFADRO CCC([NH3+])(CC)CNC(=O)c1cnn(Cc2ccccc2)c1Br ZINC000911857364 664259270 /nfs/dbraw/zinc/25/92/70/664259270.db2.gz IMCOKFPKQFXCJK-UHFFFAOYSA-N 1 0 379.302 2.941 20 0 GFADRO CC[NH2+]CC1CCN(C(=O)C(F)(F)c2ncccc2Br)CC1 ZINC000911862244 664259286 /nfs/dbraw/zinc/25/92/86/664259286.db2.gz SERQSQRIZYNJHH-UHFFFAOYSA-N 1 0 376.245 2.784 20 0 GFADRO C[C@]1(C(=O)Nc2ccc(SCC[NH+]3CCCC3)cc2)CCCS1(=O)=O ZINC000911896120 664261067 /nfs/dbraw/zinc/26/10/67/664261067.db2.gz AYABWDXJTBUNPP-GOSISDBHSA-N 1 0 382.551 2.780 20 0 GFADRO C[NH+]1CCC(N(CCO)C(=O)c2ccc(Br)cc2Cl)CC1 ZINC000911935351 664262576 /nfs/dbraw/zinc/26/25/76/664262576.db2.gz QEOXZYONTBBESH-UHFFFAOYSA-N 1 0 375.694 2.631 20 0 GFADRO C[NH+]1CCC(N(CCO)C(=O)c2cc3cc(Br)ccc3o2)CC1 ZINC000911934332 664262592 /nfs/dbraw/zinc/26/25/92/664262592.db2.gz FQLIUMHJOIOLDS-UHFFFAOYSA-N 1 0 381.270 2.724 20 0 GFADRO CCCN(Cc1ccccc1)C(=O)c1cc(Br)cn(CC[NH3+])c1=O ZINC000912001335 664265659 /nfs/dbraw/zinc/26/56/59/664265659.db2.gz GFBSBOVQFPHONU-UHFFFAOYSA-N 1 0 392.297 2.622 20 0 GFADRO CN(CCOc1ccc(Br)cc1)C(=O)c1cc2n(n1)CCC[C@@H]2[NH3+] ZINC000912031312 664267439 /nfs/dbraw/zinc/26/74/39/664267439.db2.gz CXZGISXRYYTUST-AWEZNQCLSA-N 1 0 393.285 2.590 20 0 GFADRO C[NH+](C)CCOc1ccc(C=CC(=O)Nc2c[nH]nc2Br)cc1 ZINC000912191239 664275262 /nfs/dbraw/zinc/27/52/62/664275262.db2.gz QBWXDFFWPZPINB-YVMONPNESA-N 1 0 379.258 2.765 20 0 GFADRO CCN(C(=O)c1nnn(-c2ccccc2Br)c1C)[C@@H]1CC[N@H+](C)C1 ZINC000912306092 664281681 /nfs/dbraw/zinc/28/16/81/664281681.db2.gz HCCWBXLJPPVGOL-CYBMUJFWSA-N 1 0 392.301 2.504 20 0 GFADRO COc1cccc2c1CC[C@]2([NH3+])C(=O)NCc1ccc(Br)s1 ZINC000912495925 664290609 /nfs/dbraw/zinc/29/06/09/664290609.db2.gz PLPFTNLSHJEGPG-MRXNPFEDSA-N 1 0 381.295 2.936 20 0 GFADRO CC(C)C[NH2+]C1(CO)CCN(C(=O)c2c(F)cccc2Br)CC1 ZINC000912590208 664294158 /nfs/dbraw/zinc/29/41/58/664294158.db2.gz PNLPDFAJIPQEDJ-UHFFFAOYSA-N 1 0 387.293 2.801 20 0 GFADRO C[NH+](C)CCCOC(=O)CCC(=O)c1ccc(I)cc1 ZINC000912592012 664294170 /nfs/dbraw/zinc/29/41/70/664294170.db2.gz KIDJRTIXFRERKK-UHFFFAOYSA-N 1 0 389.233 2.749 20 0 GFADRO CC(C)C[NH2+]C1(CO)CCN(C(=O)Cc2ccccc2Br)CC1 ZINC000912588613 664294205 /nfs/dbraw/zinc/29/42/05/664294205.db2.gz PRIWSKSVRUSVHY-UHFFFAOYSA-N 1 0 383.330 2.591 20 0 GFADRO CC(C)C[NH2+]C1(CO)CCN(C(=O)COc2cc(Cl)ccc2Cl)CC1 ZINC000912595039 664294439 /nfs/dbraw/zinc/29/44/39/664294439.db2.gz OFJQRYACELHWFP-UHFFFAOYSA-N 1 0 389.323 2.971 20 0 GFADRO CC(C)C[NH2+]C1(CO)CCN(C(=O)c2ccc(F)cc2Br)CC1 ZINC000912594988 664294463 /nfs/dbraw/zinc/29/44/63/664294463.db2.gz LYHPROIMMXPGLI-UHFFFAOYSA-N 1 0 387.293 2.801 20 0 GFADRO Cc1ccc(F)c(Br)c1C(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000912715456 664299485 /nfs/dbraw/zinc/29/94/85/664299485.db2.gz WTWQHPWBGISKLM-ZDUSSCGKSA-N 1 0 385.277 2.568 20 0 GFADRO O=C(c1cn(Cc2ccc(Cl)cc2Cl)nn1)N1CC[C@H]([NH+]2CCC2)C1 ZINC000912903129 664309477 /nfs/dbraw/zinc/30/94/77/664309477.db2.gz JALVOBCIJUKOND-AWEZNQCLSA-N 1 0 380.279 2.553 20 0 GFADRO O=C(c1ccn(-c2cccc(Br)c2)n1)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000912918035 664310169 /nfs/dbraw/zinc/31/01/69/664310169.db2.gz SSOAJEHDYNTGBZ-OAHLLOKOSA-N 1 0 375.270 2.555 20 0 GFADRO O=C(NC12CC[NH+](CC1)C2)[C@@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 ZINC000913627524 664346890 /nfs/dbraw/zinc/34/68/90/664346890.db2.gz OCTYVYORDURNCR-HNNXBMFYSA-N 1 0 382.291 2.562 20 0 GFADRO Cc1cc(C(=O)N2CCC(O)(C[NH+](C)C)CC2)cc(Cl)c1Br ZINC000913677091 664348857 /nfs/dbraw/zinc/34/88/57/664348857.db2.gz ZUYYTZNNZALNMR-UHFFFAOYSA-N 1 0 389.721 2.940 20 0 GFADRO C[NH+](C)CC1(O)CCN(C(=O)c2cc(Cl)cc(Br)c2)CC1 ZINC000913679138 664349309 /nfs/dbraw/zinc/34/93/09/664349309.db2.gz NPTICTKYOAQVKA-UHFFFAOYSA-N 1 0 375.694 2.631 20 0 GFADRO C[NH+](C)CC1(O)CCN(C(=O)[C@@H]2C[C@@]2(C)c2cccc(Br)c2)CC1 ZINC000913683891 664350048 /nfs/dbraw/zinc/35/00/48/664350048.db2.gz WVSWJQARBDLORX-WMZOPIPTSA-N 1 0 395.341 2.642 20 0 GFADRO C[C@@H](C(=O)N1CC[NH+](CCCCCO)CC1)c1ccc(Br)cc1 ZINC000913692711 664350768 /nfs/dbraw/zinc/35/07/68/664350768.db2.gz XMUPEGZFCXIODB-OAHLLOKOSA-N 1 0 383.330 2.859 20 0 GFADRO CC[NH+]1CCC(N(C)S(=O)(=O)Cc2ccsc2Br)CC1 ZINC000913886114 664363717 /nfs/dbraw/zinc/36/37/17/664363717.db2.gz RURHBQWXISQXAA-UHFFFAOYSA-N 1 0 381.361 2.757 20 0 GFADRO O=S(=O)(C[C@@]12CC[N@H+](C1)CCC2)NCc1ccc(F)cc1C(F)(F)F ZINC000913924188 664365930 /nfs/dbraw/zinc/36/59/30/664365930.db2.gz LBVIEVQOVXFIOP-HNNXBMFYSA-N 1 0 380.407 2.750 20 0 GFADRO CC[NH+]1CCC(CNS(=O)(=O)Cc2ccc(F)cc2Br)CC1 ZINC000913966193 664369377 /nfs/dbraw/zinc/36/93/77/664369377.db2.gz YGQRAIHBSFMENP-UHFFFAOYSA-N 1 0 393.322 2.740 20 0 GFADRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)N(C)Cc2ncc(Br)cn2)C1 ZINC000914079259 664375241 /nfs/dbraw/zinc/37/52/41/664375241.db2.gz ZHYAALDIWVGYHZ-ZIAGYGMSSA-N 1 0 398.349 2.749 20 0 GFADRO C[C@@H]1CCC[N@H+](CCCCNC(=O)NCc2cnc(Br)cn2)C1 ZINC000914099814 664376445 /nfs/dbraw/zinc/37/64/45/664376445.db2.gz KNVFWDOGEDHIPW-CYBMUJFWSA-N 1 0 384.322 2.550 20 0 GFADRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)S(=O)(=O)Cc1ccsc1Br ZINC000914178396 664383247 /nfs/dbraw/zinc/38/32/47/664383247.db2.gz KQZOXVKBFLBZAM-ZYHUDNBSSA-N 1 0 381.361 2.612 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)N1CCC[C@@H]1c1ncc(Br)cn1 ZINC000914218751 664387183 /nfs/dbraw/zinc/38/71/83/664387183.db2.gz GFCNVWZIZLHLAQ-QLFBSQMISA-N 1 0 394.317 2.712 20 0 GFADRO C[NH+](C)CCCC1CCN(S(=O)(=O)c2occc2Br)CC1 ZINC000914312114 664397859 /nfs/dbraw/zinc/39/78/59/664397859.db2.gz QNRJEEVRGCQZMP-UHFFFAOYSA-N 1 0 379.320 2.785 20 0 GFADRO COC(=O)c1ccc(Cl)c(S(=O)(=O)NCC2([NH+](C)C)CCCCC2)c1 ZINC000914578373 664412129 /nfs/dbraw/zinc/41/21/29/664412129.db2.gz DLUANZFSCAABOL-UHFFFAOYSA-N 1 0 388.917 2.669 20 0 GFADRO CC[NH+]1CCN(CCCNC(=O)/C=C/c2ccc(C)cc2Br)CC1 ZINC000915266656 664425746 /nfs/dbraw/zinc/42/57/46/664425746.db2.gz FNVXFIKXUSWCQK-BQYQJAHWSA-N 1 0 394.357 2.915 20 0 GFADRO COC(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)c1 ZINC000915354401 664428941 /nfs/dbraw/zinc/42/89/41/664428941.db2.gz LXIHOGPLBZCWPG-QWHCGFSZSA-N 1 0 388.917 2.525 20 0 GFADRO CC[N@H+](C)Cc1cccc(CNC(=O)NCc2cn(C)nc2Br)c1 ZINC000915400146 664430352 /nfs/dbraw/zinc/43/03/52/664430352.db2.gz IUPLEZKUPDONPX-UHFFFAOYSA-N 1 0 394.317 2.634 20 0 GFADRO CO[C@@]1(CNC(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)CCSC1 ZINC000915458857 664431467 /nfs/dbraw/zinc/43/14/67/664431467.db2.gz OJEKQKHKNYLPRE-MAUKXSAKSA-N 1 0 383.583 2.781 20 0 GFADRO C[C@@H]1CCC[N@H+](CCNC(=O)/C=C\c2ccc(I)o2)C1 ZINC000915627464 664436024 /nfs/dbraw/zinc/43/60/24/664436024.db2.gz JIYPLVVWPAVXAG-SMYYYNMVSA-N 1 0 388.249 2.746 20 0 GFADRO O=C(Nc1cc2c(cc1Br)OCCO2)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000915679894 664437371 /nfs/dbraw/zinc/43/73/71/664437371.db2.gz MVSUAIBJYARTLR-NEPJUHHUSA-N 1 0 396.285 2.969 20 0 GFADRO C[N@H+](CCCCNS(=O)(=O)Cc1cccc(F)c1Br)C1CC1 ZINC000916199745 664454359 /nfs/dbraw/zinc/45/43/59/664454359.db2.gz LRZAQXMVUZHJJZ-UHFFFAOYSA-N 1 0 393.322 2.882 20 0 GFADRO CC[C@H](C)[N@H+](C)CCNC(=O)N1CCC[C@H]1c1ncc(Br)cn1 ZINC000916359572 664458166 /nfs/dbraw/zinc/45/81/66/664458166.db2.gz BJGDLKPKPCQDQT-JSGCOSHPSA-N 1 0 384.322 2.816 20 0 GFADRO CC[C@H](C)[N@H+](C)CCNC(=O)N1CCC[C@@H]1c1ncc(Br)cn1 ZINC000916359571 664458214 /nfs/dbraw/zinc/45/82/14/664458214.db2.gz BJGDLKPKPCQDQT-GXTWGEPZSA-N 1 0 384.322 2.816 20 0 GFADRO C[C@H](CNC(=O)N1CCC[C@@H]1c1ncc(Br)cn1)[N@H+](C)C1CC1 ZINC000916850194 664472970 /nfs/dbraw/zinc/47/29/70/664472970.db2.gz CVYVESXNVFQCKZ-BXUZGUMPSA-N 1 0 382.306 2.568 20 0 GFADRO C[C@@H](CNC(=O)NCc1cnc(Br)cn1)[N@H+](C)Cc1ccccc1 ZINC000917872522 664491684 /nfs/dbraw/zinc/49/16/84/664491684.db2.gz GMKOGXQERBNFRX-ZDUSSCGKSA-N 1 0 392.301 2.559 20 0 GFADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)N1CCC[C@]1(C)Cc1cc(Cl)cs1 ZINC000917972785 664493785 /nfs/dbraw/zinc/49/37/85/664493785.db2.gz RHTYAKYRVRAPOG-CRAIPNDOSA-N 1 0 384.977 2.754 20 0 GFADRO Cc1ccc(/C=C/C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)c(Br)c1 ZINC000918698991 664502900 /nfs/dbraw/zinc/50/29/00/664502900.db2.gz LTRFPAGXULVPHY-MOEXGYKKSA-N 1 0 394.357 2.770 20 0 GFADRO CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NS(=O)(=O)c3cc(C)c(C)s3)C2)[C@@H]1C(C)C ZINC000920302480 664524433 /nfs/dbraw/zinc/52/44/33/664524433.db2.gz IYHCHQOWEQZLDC-XYVMCAHJSA-N 1 0 386.583 2.513 20 0 GFADRO CC(C)C[C@H](C[NH+](C)C)NC(=O)c1cn(-c2ccccc2Br)nn1 ZINC000920749861 664530226 /nfs/dbraw/zinc/53/02/26/664530226.db2.gz RLIKTJSIEWKMKD-CYBMUJFWSA-N 1 0 394.317 2.736 20 0 GFADRO O=C(C[N@H+]1CCC[C@@H]1Cc1ccc(Br)cc1)NC[C@H]1CCCO1 ZINC000920780701 664531653 /nfs/dbraw/zinc/53/16/53/664531653.db2.gz WXZGCRHXCOUFAW-IAGOWNOFSA-N 1 0 381.314 2.751 20 0 GFADRO C[C@@H](NC(=O)NC1(c2ncc(Br)cn2)CCC1)C(C)(C)C[NH+](C)C ZINC000921388557 664545485 /nfs/dbraw/zinc/54/54/85/664545485.db2.gz LJDAUSXNWLEXME-GFCCVEGCSA-N 1 0 398.349 2.894 20 0 GFADRO C[NH+](C)CC[C@@H](NS(=O)(=O)c1c(Cl)ccc(F)c1F)c1cccnc1 ZINC000921479673 664550022 /nfs/dbraw/zinc/55/00/22/664550022.db2.gz PFHXUGXCFGOWHP-CQSZACIVSA-N 1 0 389.855 2.985 20 0 GFADRO C[NH+](C)CC[C@H](NS(=O)(=O)Cc1ccc(Cl)c(F)c1)c1cccnc1 ZINC000921480184 664550114 /nfs/dbraw/zinc/55/01/14/664550114.db2.gz AXLZZIJGEYJXPC-KRWDZBQOSA-N 1 0 385.892 2.987 20 0 GFADRO COc1ccc(S(=O)(=O)N[C@@H](CC[NH+](C)C)c2cccnc2)cc1Cl ZINC000921482600 664550275 /nfs/dbraw/zinc/55/02/75/664550275.db2.gz PZKNHENODKZAPF-INIZCTEOSA-N 1 0 383.901 2.715 20 0 GFADRO CCn1c(Br)c(Br)nc1CNC[C@@H]1CC[N@H+](CC)C1 ZINC000921544621 664552809 /nfs/dbraw/zinc/55/28/09/664552809.db2.gz CCBRBTRSXKNXLZ-JTQLQIEISA-N 1 0 394.155 2.859 20 0 GFADRO CN(Cc1ncc(Br)cn1)C(=O)NC[C@H]1[N@H+](C)CCCC1(C)C ZINC000922254757 664591973 /nfs/dbraw/zinc/59/19/73/664591973.db2.gz BMMOJUUFNPIGQW-CYBMUJFWSA-N 1 0 384.322 2.501 20 0 GFADRO CC[C@@H](C)[NH2+][C@@H](CNC(=O)NCc1cn(C)nc1Br)c1ccco1 ZINC000922423655 664600964 /nfs/dbraw/zinc/60/09/64/664600964.db2.gz HFKZMVFIFCICQZ-YPMHNXCESA-N 1 0 398.305 2.704 20 0 GFADRO CN1C[C@H](CC[NH2+]Cc2nc(-c3ccc(Br)cc3)c[nH]2)CC1=O ZINC000922490252 664603732 /nfs/dbraw/zinc/60/37/32/664603732.db2.gz WNEIKYDTOKSLJA-GFCCVEGCSA-N 1 0 377.286 2.797 20 0 GFADRO C[C@](O)(C[NH2+]Cc1ncc(I)s1)c1cccc(F)c1 ZINC000922563920 664607134 /nfs/dbraw/zinc/60/71/34/664607134.db2.gz MZICZSQNQPTTII-ZDUSSCGKSA-N 1 0 392.237 2.884 20 0 GFADRO NS(=O)(=O)c1cc(C[NH2+]CC[C@@H]2CC[C@@H](C(F)(F)F)O2)ccc1Cl ZINC000922676130 664610396 /nfs/dbraw/zinc/61/03/96/664610396.db2.gz HDURGRZCKVCECP-GWCFXTLKSA-N 1 0 386.823 2.577 20 0 GFADRO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NC(=O)NC[C@]3(C)CC3(Cl)Cl)C2)[C@H]1C(C)C ZINC000922708812 664611439 /nfs/dbraw/zinc/61/14/39/664611439.db2.gz IUXLSBNNCCALQY-VJDWVQAOSA-N 1 0 392.371 2.739 20 0 GFADRO FC(F)Oc1ccc(Br)c(C[NH2+]C[C@@H]2C[C@@H]3COC[C@@H]3O2)c1 ZINC000922727142 664612208 /nfs/dbraw/zinc/61/22/08/664612208.db2.gz ZSQVYBOJGNVAHP-OSMZGAPFSA-N 1 0 378.213 2.944 20 0 GFADRO CN(C)[C@H](CC[NH2+]Cc1ncc(I)s1)C(F)(F)F ZINC000922753847 664613359 /nfs/dbraw/zinc/61/33/59/664613359.db2.gz DQVWMFDTWALIOQ-SSDOTTSWSA-N 1 0 393.216 2.720 20 0 GFADRO CCCOc1c(Br)cc(C[NH2+]CC[C@@H]2CNC(=O)C2)cc1OC ZINC000922784951 664614500 /nfs/dbraw/zinc/61/45/00/664614500.db2.gz LBDWFOIHJPYFFF-LBPRGKRZSA-N 1 0 385.302 2.862 20 0 GFADRO Brc1cc(C[NH2+]C[C@H]2CCC3(CCOCC3)O2)cc2c1OCO2 ZINC000922811473 664615306 /nfs/dbraw/zinc/61/53/06/664615306.db2.gz MNLQYRGXYGJDRQ-CYBMUJFWSA-N 1 0 384.270 2.996 20 0 GFADRO COC(=O)c1cnc(CC[NH2+]Cc2cnc3ccc(Br)cn23)s1 ZINC000922835286 664616081 /nfs/dbraw/zinc/61/60/81/664616081.db2.gz URXLWZXOUXLOJB-UHFFFAOYSA-N 1 0 395.282 2.672 20 0 GFADRO Brc1cc2c(cc1CNC[C@@H]1CC[N@@H+]1C1CCOCC1)OCO2 ZINC000922951287 664619818 /nfs/dbraw/zinc/61/98/18/664619818.db2.gz MPOXTJDPUBBTNO-AWEZNQCLSA-N 1 0 383.286 2.521 20 0 GFADRO Cn1ncc(I)c1C[NH2+]CC[C@H]1OCCc2ccccc21 ZINC000922958302 664620005 /nfs/dbraw/zinc/62/00/05/664620005.db2.gz PYTIYBDPSPOKRR-MRXNPFEDSA-N 1 0 397.260 2.818 20 0 GFADRO COc1ccc(C[NH2+]Cc2ccc(Cl)c(S(N)(=O)=O)c2)c(C)c1OC ZINC000922966514 664620322 /nfs/dbraw/zinc/62/03/22/664620322.db2.gz PILHVOJPLWKUGS-UHFFFAOYSA-N 1 0 384.885 2.603 20 0 GFADRO Cn1nnc2c1C[C@@H]([NH2+]Cc1nc(-c3cccc(Br)c3)c[nH]1)CC2 ZINC000922994989 664620593 /nfs/dbraw/zinc/62/05/93/664620593.db2.gz YDGRQOVHCQZNMH-ZDUSSCGKSA-N 1 0 387.285 2.615 20 0 GFADRO O[C@H]1C[C@@H]([NH2+]Cc2cnn(-c3ccc(Br)cc3)c2)C12CCOCC2 ZINC000923024294 664621489 /nfs/dbraw/zinc/62/14/89/664621489.db2.gz OZSHIIWDUNHMFC-SJORKVTESA-N 1 0 392.297 2.654 20 0 GFADRO Cc1c(Br)cccc1CNC(=O)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000923116563 664622361 /nfs/dbraw/zinc/62/23/61/664622361.db2.gz JLUDLCCMZYIGKO-MRXNPFEDSA-N 1 0 396.329 2.810 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)N1CCC[C@H]1c1ncc(Br)cn1 ZINC000923172587 664623488 /nfs/dbraw/zinc/62/34/88/664623488.db2.gz VCIQZSNLRRHGMW-KBPBESRZSA-N 1 0 396.333 2.958 20 0 GFADRO CCC[N@@H+]1CC[C@@H](NC(=O)N2CCCC[C@H]2c2ncc(Br)cn2)C1 ZINC000923319960 664628212 /nfs/dbraw/zinc/62/82/12/664628212.db2.gz RDKMZPNHBUXSMB-CABCVRRESA-N 1 0 396.333 2.960 20 0 GFADRO [NH3+]C[C@@H]1CN(C[C@H](O)COc2c(Cl)cccc2Cl)C[C@H]1C(F)(F)F ZINC000923426228 664630194 /nfs/dbraw/zinc/63/01/94/664630194.db2.gz OFAYXVQYQXEBAJ-OUAUKWLOSA-N 1 0 387.229 2.802 20 0 GFADRO CN(CCCC[NH+]1CCCCC1)C(=O)NCc1cnc(Br)cn1 ZINC000923553666 664634023 /nfs/dbraw/zinc/63/40/23/664634023.db2.gz HAUGGBNLOZLBPG-UHFFFAOYSA-N 1 0 384.322 2.647 20 0 GFADRO C[C@@H]1CN(S(=O)(=O)c2cccc(Cl)c2Br)CC[C@@H]1C[NH3+] ZINC000923705208 664636605 /nfs/dbraw/zinc/63/66/05/664636605.db2.gz WITQQEJLJVGCBT-NXEZZACHSA-N 1 0 381.723 2.708 20 0 GFADRO Brc1cccn2ncc(-c3nc([C@@H]4C[N@@H+]5CCC[C@H]5CO4)no3)c12 ZINC000923961724 664641940 /nfs/dbraw/zinc/64/19/40/664641940.db2.gz XRYBUIXNTOMKBH-GWCFXTLKSA-N 1 0 390.241 2.683 20 0 GFADRO CCO[C@H](CNC(=O)NCc1cc(C(F)(F)F)cc(Cl)n1)C[NH+](C)C ZINC000923977538 664643072 /nfs/dbraw/zinc/64/30/72/664643072.db2.gz AZXHRBJZWWPNAL-GFCCVEGCSA-N 1 0 382.814 2.520 20 0 GFADRO COc1cc(-c2noc([C@H]3C[N@@H+]4CCC[C@H]4CO3)n2)cc(Br)c1O ZINC000924009427 664644285 /nfs/dbraw/zinc/64/42/85/664644285.db2.gz XICMTLRPVWBOFB-GXFFZTMASA-N 1 0 396.241 2.749 20 0 GFADRO Cc1cc(C(=O)OCCCN2CC[NH+](C(C)C)CC2)cnc1Br ZINC000924068360 664646149 /nfs/dbraw/zinc/64/61/49/664646149.db2.gz JYJGVDRBRCYEPD-UHFFFAOYSA-N 1 0 384.318 2.725 20 0 GFADRO CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NCc1cn(C)nc1Br ZINC000924552093 664657213 /nfs/dbraw/zinc/65/72/13/664657213.db2.gz ADQSQLQQWHCYIQ-UHFFFAOYSA-N 1 0 394.317 2.586 20 0 GFADRO C[C@H]([NH2+][C@H](c1cccs1)C1CC1)c1ccc(S(=O)(=O)CC(N)=O)cc1 ZINC000924593522 664658699 /nfs/dbraw/zinc/65/86/99/664658699.db2.gz VWYNOPCWUXADLH-SGTLLEGYSA-N 1 0 378.519 2.809 20 0 GFADRO C[C@@H]([NH2+][C@@H](C)C1CCN(S(C)(=O)=O)CC1)c1ccccc1OC(F)F ZINC000924599339 664658818 /nfs/dbraw/zinc/65/88/18/664658818.db2.gz GFHLZFFBBSAKHS-QWHCGFSZSA-N 1 0 376.469 2.999 20 0 GFADRO C[C@@H]([NH2+]C1CCN(S(C)(=O)=O)CC1)c1ncc(C(F)(F)F)cc1Cl ZINC000924628236 664659021 /nfs/dbraw/zinc/65/90/21/664659021.db2.gz YLZGPVULGKBRCH-SECBINFHSA-N 1 0 385.839 2.828 20 0 GFADRO C[C@@H]([NH2+][C@@H](C)c1cccc(OC(F)F)c1)C1CCN(S(C)(=O)=O)CC1 ZINC000924674002 664659386 /nfs/dbraw/zinc/65/93/86/664659386.db2.gz KODZFOHDYAWEGB-OLZOCXBDSA-N 1 0 376.469 2.999 20 0 GFADRO O=C1NCC2(CCOCC2)[C@@H]1[NH2+]CC1(c2ccc(Br)cc2)CCC1 ZINC000924740118 664660684 /nfs/dbraw/zinc/66/06/84/664660684.db2.gz SCEYVYUIOQKEIX-MRXNPFEDSA-N 1 0 393.325 2.756 20 0 GFADRO C[C@@H]([NH2+][C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)C1(Br)CC1 ZINC000924748357 664660837 /nfs/dbraw/zinc/66/08/37/664660837.db2.gz QVPMNHBJPMTXIK-NWDGAFQWSA-N 1 0 375.332 2.904 20 0 GFADRO C[C@H]([NH2+]C[C@H](O)COc1ccc2c(c1)OCO2)c1cccc(Br)n1 ZINC000924777392 664661640 /nfs/dbraw/zinc/66/16/40/664661640.db2.gz JWNATZAKVMSXAX-RYUDHWBXSA-N 1 0 395.253 2.663 20 0 GFADRO C[C@@H](C(=O)Nc1ccc(C[NH+](C)C)c(C(F)(F)F)c1)[C@H](C)S(C)(=O)=O ZINC000924892945 664663745 /nfs/dbraw/zinc/66/37/45/664663745.db2.gz LEPVMJHHCYTINR-MNOVXSKESA-N 1 0 380.432 2.775 20 0 GFADRO C[C@H]([NH2+]CC1(c2ccc(Br)cc2)CCOCC1)c1cnnn1C ZINC000924901839 664663872 /nfs/dbraw/zinc/66/38/72/664663872.db2.gz KRRJSVPKMQMLBK-ZDUSSCGKSA-N 1 0 379.302 2.977 20 0 GFADRO C[C@@H]([NH2+][C@H](C)C1(Br)CC1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000924925682 664664108 /nfs/dbraw/zinc/66/41/08/664664108.db2.gz VIVZBJUADXWXHT-VXGBXAGGSA-N 1 0 375.332 2.904 20 0 GFADRO Cc1nc(CSc2ccccc2C(=O)NC[C@@H]2C[C@@H](O)C[N@H+]2C)cs1 ZINC000924986332 664664782 /nfs/dbraw/zinc/66/47/82/664664782.db2.gz JFEUJACORQXZEA-LSDHHAIUSA-N 1 0 377.535 2.539 20 0 GFADRO COc1ccc(Br)c(C(=O)NCCC[NH2+][C@@H]2CO[C@H](C)[C@H]2C)c1 ZINC000925015685 664665150 /nfs/dbraw/zinc/66/51/50/664665150.db2.gz LLSALMYEQWHQEX-XHBSWPGZSA-N 1 0 385.302 2.591 20 0 GFADRO C[C@@H]([NH2+][C@H]1CCN(c2ccccc2C(N)=O)C1)c1cccc(Br)n1 ZINC000925039525 664665836 /nfs/dbraw/zinc/66/58/36/664665836.db2.gz OTYQUFRDMSXCDJ-OLZOCXBDSA-N 1 0 389.297 2.873 20 0 GFADRO Brc1ccccc1N1CC[C@H]([NH2+][C@@H]2CCOC23CCOCC3)C1 ZINC000925034341 664665840 /nfs/dbraw/zinc/66/58/40/664665840.db2.gz MTHHVKWXIYWNFK-WMLDXEAASA-N 1 0 381.314 2.956 20 0 GFADRO C[C@@H]([NH2+]CC(C)(C)c1cccs1)c1ccc(S(=O)(=O)CC(N)=O)cc1 ZINC000925067100 664666211 /nfs/dbraw/zinc/66/62/11/664666211.db2.gz LGCXZMWCQUTKIK-CYBMUJFWSA-N 1 0 380.535 2.636 20 0 GFADRO CC[N@@H+]1CCC[C@@H](N2C(=O)[C@H]3Cc4c(Br)cccc4CN3C2=O)C1 ZINC000925301231 664670154 /nfs/dbraw/zinc/67/01/54/664670154.db2.gz ZYIYPHGICFPIAG-CZUORRHYSA-N 1 0 392.297 2.622 20 0 GFADRO C[N@@H+]1CC[C@H]1CNC(=O)N1CCC(Nc2cccc(Br)c2)CC1 ZINC000925418790 664672137 /nfs/dbraw/zinc/67/21/37/664672137.db2.gz WRPBZQLGGUUGSS-INIZCTEOSA-N 1 0 381.318 2.739 20 0 GFADRO COCc1nc2n(n1)C[C@H]([NH2+][C@@H]1CCCc3ncc(Br)cc31)CC2 ZINC000925516923 664672837 /nfs/dbraw/zinc/67/28/37/664672837.db2.gz JYLGOSSEFMDHOL-IUODEOHRSA-N 1 0 392.301 2.564 20 0 GFADRO O=S1(=O)CCNC[C@@H]1CC[NH2+][C@@H](c1ccc(Cl)c(Cl)c1)C1CC1 ZINC000925799778 664675035 /nfs/dbraw/zinc/67/50/35/664675035.db2.gz SZFLISWOCIXFKS-XJKSGUPXSA-N 1 0 377.337 2.811 20 0 GFADRO [NH3+][C@]1(CO)CCCN(C(=O)Nc2ncc(Cc3cccc(Cl)c3)s2)C1 ZINC000925916325 664677432 /nfs/dbraw/zinc/67/74/32/664677432.db2.gz VVCDJNVXYYTYOG-QGZVFWFLSA-N 1 0 380.901 2.705 20 0 GFADRO COC(=O)c1cc(Cl)cc(NC(=O)N2CC[C@H](C(F)(F)F)[C@@H]([NH3+])C2)c1 ZINC000926038434 664679660 /nfs/dbraw/zinc/67/96/60/664679660.db2.gz VZIKTWUPTNDMRK-RYUDHWBXSA-N 1 0 379.766 2.870 20 0 GFADRO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(C(=O)Nc1ccc(SC)c(Cl)c1)C2 ZINC000926052588 664680091 /nfs/dbraw/zinc/68/00/91/664680091.db2.gz KGXLXWZWDUCBQE-RVPKQNPDSA-N 1 0 383.901 2.806 20 0 GFADRO [NH3+][C@]1(CO)CCCN(C(=O)Nc2ccc3cc(Br)ccc3c2)C1 ZINC000926070430 664680699 /nfs/dbraw/zinc/68/06/99/664680699.db2.gz AZQNRHVFMPXMKX-QGZVFWFLSA-N 1 0 378.270 2.920 20 0 GFADRO C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)Nc1cccc(F)c1I ZINC000926080014 664681198 /nfs/dbraw/zinc/68/11/98/664681198.db2.gz MBFTZWODOQSCRG-NXEZZACHSA-N 1 0 391.228 2.797 20 0 GFADRO Cc1cnc(Br)cc1NC(=O)N1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000926094322 664681592 /nfs/dbraw/zinc/68/15/92/664681592.db2.gz HVZLLZAYQNFSIX-GFCCVEGCSA-N 1 0 383.290 2.514 20 0 GFADRO [NH3+][C@@H]1CC[C@H](CNC(=O)Nc2ccnn2Cc2ccccc2Br)C1 ZINC000926099262 664681669 /nfs/dbraw/zinc/68/16/69/664681669.db2.gz UZLLYSOQENKFBF-GXTWGEPZSA-N 1 0 392.301 2.943 20 0 GFADRO COC(=O)c1c(C)c(NC(=O)NC[C@@H]2CC[C@H]([NH3+])C2)ccc1Br ZINC000926104616 664681841 /nfs/dbraw/zinc/68/18/41/664681841.db2.gz KPBFYXVVDJQFMB-MNOVXSKESA-N 1 0 384.274 2.793 20 0 GFADRO [NH3+][C@]1(CO)CCCN(C(=O)N[C@H](c2ccc(F)c(Cl)c2)C(F)(F)F)C1 ZINC000926107882 664681972 /nfs/dbraw/zinc/68/19/72/664681972.db2.gz WHHLSFHGDYIZAD-TZMCWYRMSA-N 1 0 383.773 2.578 20 0 GFADRO C[C@@H]1CN(C(=O)Nc2ccc3nccnc3c2Br)C[C@H]1CC[NH3+] ZINC000926116723 664682195 /nfs/dbraw/zinc/68/21/95/664682195.db2.gz MDRHZFBJSANNNO-GHMZBOCLSA-N 1 0 378.274 2.841 20 0 GFADRO Cc1c(Br)nccc1NC(=O)N1CC[C@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000926128131 664682344 /nfs/dbraw/zinc/68/23/44/664682344.db2.gz XSJZJRPDPWBYAL-IUCAKERBSA-N 1 0 381.196 2.896 20 0 GFADRO CN(C)c1cc(NC(=O)N2CC[C@]3(C2)CCCC[NH2+]3)ncc1Br ZINC000926137851 664682816 /nfs/dbraw/zinc/68/28/16/664682816.db2.gz YABYDKQPECKJDA-INIZCTEOSA-N 1 0 382.306 2.660 20 0 GFADRO [NH3+]CC[C@@H](NC(=O)N1CCC[C@H]1c1cncc(Br)c1)C(F)(F)F ZINC000926170199 664683809 /nfs/dbraw/zinc/68/38/09/664683809.db2.gz OZIQSDNGAZYPIO-NWDGAFQWSA-N 1 0 395.223 2.970 20 0 GFADRO Cc1c(NC(=O)N2CCO[C@H](C[NH3+])C2)cc(Br)cc1C(F)(F)F ZINC000926223027 664684943 /nfs/dbraw/zinc/68/49/43/664684943.db2.gz IKTCSFLUWWCYIL-SNVBAGLBSA-N 1 0 396.207 2.968 20 0 GFADRO C[C@@H](NC(=O)NCC1(O)CC[NH+](C)CC1)c1cc(Cl)cc(Cl)c1F ZINC000926247998 664685435 /nfs/dbraw/zinc/68/54/35/664685435.db2.gz XVAYZIPPFLSDEX-SNVBAGLBSA-N 1 0 378.275 2.949 20 0 GFADRO CCn1nc(C)c([C@@H](C)[NH2+]C[C@@H](CO)Cc2ccc(Br)cc2)n1 ZINC000926283167 664686227 /nfs/dbraw/zinc/68/62/27/664686227.db2.gz GJHDFZNYYJERAS-DOMZBBRYSA-N 1 0 381.318 2.871 20 0 GFADRO CC(C)n1cc([C@@H](C)[NH2+]CCCNS(=O)(=O)c2ccccc2Cl)nn1 ZINC000926355406 664688463 /nfs/dbraw/zinc/68/84/63/664688463.db2.gz ZZPRDNRVTSWGQS-CYBMUJFWSA-N 1 0 385.921 2.532 20 0 GFADRO Cc1noc(C)c1[C@@H](C)[NH2+]CCNS(=O)(=O)c1ccc(Cl)cc1F ZINC000926357543 664688664 /nfs/dbraw/zinc/68/86/64/664688664.db2.gz PRCCQWPXINJQDU-SECBINFHSA-N 1 0 375.853 2.713 20 0 GFADRO C[C@@H]([NH2+]Cc1ccsc1Br)C1CCN(S(C)(=O)=O)CC1 ZINC000926368588 664688783 /nfs/dbraw/zinc/68/87/83/664688783.db2.gz XLVATDDQUWWBFX-SNVBAGLBSA-N 1 0 381.361 2.660 20 0 GFADRO C[C@@H]1COC[C@@H](C)C1[NH2+]CCNS(=O)(=O)c1cccc(Cl)c1Cl ZINC000926410055 664689576 /nfs/dbraw/zinc/68/95/76/664689576.db2.gz NFWSEPKNEKFQCH-GHMZBOCLSA-N 1 0 381.325 2.532 20 0 GFADRO CC(=O)N[C@H](c1ccccc1F)[C@H](C)[NH2+]CCn1cc(Br)cn1 ZINC000926415424 664689756 /nfs/dbraw/zinc/68/97/56/664689756.db2.gz SNXBULAFMOJGID-ZBEGNZNMSA-N 1 0 383.265 2.640 20 0 GFADRO Cc1ccc(C[C@@H](CO)C[NH2+][C@@H](C)c2cc(CO)on2)cc1Br ZINC000926537192 664691748 /nfs/dbraw/zinc/69/17/48/664691748.db2.gz FRPIODWKOOMCKJ-GXTWGEPZSA-N 1 0 383.286 2.740 20 0 GFADRO COc1ccc(Br)cc1C[C@H](CO)C[NH2+][C@H](C)c1cn(C)cn1 ZINC000926543549 664692144 /nfs/dbraw/zinc/69/21/44/664692144.db2.gz RXKXAVXAKDINDK-OLZOCXBDSA-N 1 0 382.302 2.693 20 0 GFADRO C[C@@H]1C[C@H]([NH2+]C[C@@H](CO)Cc2cc(Br)ccc2F)c2ncnn21 ZINC000926543459 664692153 /nfs/dbraw/zinc/69/21/53/664692153.db2.gz ZEIRTOMVZYZESF-ZETOZRRWSA-N 1 0 383.265 2.626 20 0 GFADRO Brc1ccc([C@H]([NH2+][C@@H]2CCc3nnnn3CC2)c2cccnc2)cc1 ZINC000926607114 664693681 /nfs/dbraw/zinc/69/36/81/664693681.db2.gz RERLXBFWTVYUPK-AEFFLSMTSA-N 1 0 399.296 2.915 20 0 GFADRO C[C@@H]([NH2+]CC[C@H]1CSc2ccccc2O1)C1CCN(S(C)(=O)=O)CC1 ZINC000926630781 664694161 /nfs/dbraw/zinc/69/41/61/664694161.db2.gz YNSROIOEYYHKQX-ZBFHGGJFSA-N 1 0 384.567 2.580 20 0 GFADRO Cc1ccc([C@@H]([NH2+]CCN2CC[C@@H](O)C2)c2cncc(Br)c2)cc1 ZINC000926767841 664696320 /nfs/dbraw/zinc/69/63/20/664696320.db2.gz UDSXPLZSMOXGHH-RTBURBONSA-N 1 0 390.325 2.898 20 0 GFADRO C[C@H]([NH2+]C[C@H]1CN(Cc2ccncc2)CCO1)c1cccc(Br)n1 ZINC000926771029 664696482 /nfs/dbraw/zinc/69/64/82/664696482.db2.gz JTXPDZSZCOYQGG-HOCLYGCPSA-N 1 0 391.313 2.791 20 0 GFADRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+]C[C@H]2CCC[C@@H](C(F)(F)F)O2)cc1 ZINC000926917745 664699118 /nfs/dbraw/zinc/69/91/18/664699118.db2.gz XEOFVELUXWXNOX-LNSITVRQSA-N 1 0 380.432 2.745 20 0 GFADRO C[C@@H]([NH2+]C[C@@H]1CCCN1CC(F)(F)F)c1cccc(NS(C)(=O)=O)c1 ZINC000926927705 664699142 /nfs/dbraw/zinc/69/91/42/664699142.db2.gz WRIFCXYXPRRMJX-DOMZBBRYSA-N 1 0 379.448 2.735 20 0 GFADRO C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1[NH2+]CC(C)(C)CS(C)(=O)=O ZINC000926955804 664699452 /nfs/dbraw/zinc/69/94/52/664699452.db2.gz OVKSASZGOTXOHI-HUUCEWRRSA-N 1 0 376.563 2.682 20 0 GFADRO CN(Cc1ncc(Br)cn1)C(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000926985308 664701387 /nfs/dbraw/zinc/70/13/87/664701387.db2.gz JUBMMJAZZAUZJG-MRXNPFEDSA-N 1 0 389.297 2.862 20 0 GFADRO CC(C)(C)C[C@H]([NH2+]C[C@@H](O)CS(C)(=O)=O)c1ccc(Br)cc1 ZINC000927024948 664702462 /nfs/dbraw/zinc/70/24/62/664702462.db2.gz MZKVURVAOCTRCL-CABCVRRESA-N 1 0 392.359 2.922 20 0 GFADRO Cn1nnc2c1C[C@@H]([NH2+][C@H]1CCCOc3cc(Br)ccc31)CC2 ZINC000927153942 664705258 /nfs/dbraw/zinc/70/52/58/664705258.db2.gz YDMFIBIHKOHZDX-JSGCOSHPSA-N 1 0 377.286 2.938 20 0 GFADRO Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)NCc1cc(N(C)C)cc[nH+]1 ZINC000927697938 664714246 /nfs/dbraw/zinc/71/42/46/664714246.db2.gz QIBPMCBAQKTNGO-UHFFFAOYSA-N 1 0 375.782 2.641 20 0 GFADRO [NH3+][C@H]1CN(C(=O)C(=O)Nc2ccc(Cl)cc2Cl)CC[C@H]1C(F)(F)F ZINC000927847757 664716635 /nfs/dbraw/zinc/71/66/35/664716635.db2.gz MEFDNUSTYRISPD-SCZZXKLOSA-N 1 0 384.185 2.670 20 0 GFADRO CC1([NH+]2CCCC2)CCC(NC(=O)Cn2cc(Br)ccc2=O)CC1 ZINC000928013720 664719853 /nfs/dbraw/zinc/71/98/53/664719853.db2.gz FQOYSRCNFIHBAU-UHFFFAOYSA-N 1 0 396.329 2.524 20 0 GFADRO C[C@H]1[C@H](NC(=O)c2ccc(Cn3cc(Br)cn3)s2)CC[N@@H+]1C ZINC000928425594 664732419 /nfs/dbraw/zinc/73/24/19/664732419.db2.gz JABNODUSBWDEJZ-GXFFZTMASA-N 1 0 383.315 2.578 20 0 GFADRO Cc1ccc(-n2cnnc2SCC(=O)N[C@H]2CC[N@H+](C)[C@@H]2C)cc1Cl ZINC000928454595 664732677 /nfs/dbraw/zinc/73/26/77/664732677.db2.gz RMEBVTSMLAZGNE-DOMZBBRYSA-N 1 0 379.917 2.530 20 0 GFADRO C[N@H+](CCCCOc1ccc(Br)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000929204075 664748288 /nfs/dbraw/zinc/74/82/88/664748288.db2.gz NQSRUSIKWLOVTD-AWEZNQCLSA-N 1 0 376.316 2.727 20 0 GFADRO CC(C)(C)NS(=O)(=O)C1([C@H](O)C[N@@H+]2CCC[C@@H]2c2ccsc2)CCC1 ZINC000929261742 664749004 /nfs/dbraw/zinc/74/90/04/664749004.db2.gz BPEJLUUQCNDAEY-HZPDHXFCSA-N 1 0 386.583 2.887 20 0 GFADRO Cc1cc(CN2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)cnc1Br ZINC000930135514 664762961 /nfs/dbraw/zinc/76/29/61/664762961.db2.gz GFYSFEQLAUPRQZ-DOTOQJQBSA-N 1 0 381.362 2.610 20 0 GFADRO Cc1cc(CC(C)(C)[NH2+]C[C@H](O)C2(O)CCOCC2)ccc1Br ZINC000930554690 664773234 /nfs/dbraw/zinc/77/32/34/664773234.db2.gz NLKGZPWYYDJMIP-INIZCTEOSA-N 1 0 386.330 2.571 20 0 GFADRO CCO[C@H](CNC(=O)Nc1c(F)cc(F)cc1Br)C[NH+](C)C ZINC000931019251 664783223 /nfs/dbraw/zinc/78/32/23/664783223.db2.gz UVRHATXOPNWCDA-SNVBAGLBSA-N 1 0 380.233 2.816 20 0 GFADRO C[C@@H]1C[C@@H](c2ccc(Br)cc2)C[N@@H+]1CC1CN(S(C)(=O)=O)C1 ZINC000931265157 664789863 /nfs/dbraw/zinc/78/98/63/664789863.db2.gz FPHLQANGGJWPSA-IUODEOHRSA-N 1 0 387.343 2.518 20 0 GFADRO Brc1cc2c(cc1CN1CCC([N@@H+]3CCCOCC3)CC1)OCO2 ZINC000931283660 664790523 /nfs/dbraw/zinc/79/05/23/664790523.db2.gz GFJIPNCJTSWBPT-UHFFFAOYSA-N 1 0 397.313 2.865 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CN1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1 ZINC000931306498 664791029 /nfs/dbraw/zinc/79/10/29/664791029.db2.gz HFIUJTIKVMSVHT-QZTJIDSGSA-N 1 0 380.330 2.970 20 0 GFADRO C[NH+]1CCC(CNC(=O)c2cc3ccc(Br)cc3c(=O)o2)CC1 ZINC000931431327 664794775 /nfs/dbraw/zinc/79/47/75/664794775.db2.gz KTIUYUGGSJENTI-UHFFFAOYSA-N 1 0 379.254 2.627 20 0 GFADRO COC(=O)[C@@H](c1cc(Cl)cc(Cl)c1)N1CCC(O)(C[NH+](C)C)CC1 ZINC000931481992 664796151 /nfs/dbraw/zinc/79/61/51/664796151.db2.gz VORQPTNOLJDOQU-OAHLLOKOSA-N 1 0 375.296 2.596 20 0 GFADRO O=C(N[C@H](c1nccs1)C(F)(F)F)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000931558373 664798853 /nfs/dbraw/zinc/79/88/53/664798853.db2.gz UDDJGEWIZBVOHD-OUAUKWLOSA-N 1 0 380.461 2.626 20 0 GFADRO O=C(NC[C@@H]1CC[N@@H+]1C1CCOCC1)Nc1nc(CC(F)(F)F)cs1 ZINC000931575285 664799191 /nfs/dbraw/zinc/79/91/91/664799191.db2.gz CYBHPNXDBMBOTB-LBPRGKRZSA-N 1 0 378.420 2.623 20 0 GFADRO CCN(Cc1ccc(Cl)s1)C(=O)C(=O)NCc1cc(N(C)C)cc[nH+]1 ZINC000931603733 664800664 /nfs/dbraw/zinc/80/06/64/664800664.db2.gz SJTWBGZXZTTWPE-UHFFFAOYSA-N 1 0 380.901 2.527 20 0 GFADRO C[NH+](C)C[C@@H]1CCCN1C(=O)c1cnn(Cc2ccccc2)c1Br ZINC000931661812 664801999 /nfs/dbraw/zinc/80/19/99/664801999.db2.gz HLJFOBYLUFVEFH-HNNXBMFYSA-N 1 0 391.313 2.860 20 0 GFADRO CC(=O)N1C[C@@H]2C[N@@H+](Cc3cc(C)c(I)cc3C)C[C@@H]2C1 ZINC000931685305 664802721 /nfs/dbraw/zinc/80/27/21/664802721.db2.gz BBVNWBSBSNVVNX-IYBDPMFKSA-N 1 0 398.288 2.818 20 0 GFADRO OC[C@@H]([NH2+]C[C@@H](O)CC[C@@H](O)c1ccccc1)c1ccc(Br)cc1 ZINC000931690001 664802883 /nfs/dbraw/zinc/80/28/83/664802883.db2.gz KZWNBTBGRKFAEC-IPMKNSEASA-N 1 0 394.309 2.947 20 0 GFADRO CCO[C@H](CNC(=O)Nc1cccc(-c2nnsc2Cl)c1)C[NH+](C)C ZINC000931937439 664807431 /nfs/dbraw/zinc/80/74/31/664807431.db2.gz FEZMOMOZIQAZEJ-CYBMUJFWSA-N 1 0 383.905 2.947 20 0 GFADRO Cc1nc([C@@H]2CCN([C@H]3CCc4cc(Br)ccc4NC3=O)C2)no1 ZINC000931934615 664807457 /nfs/dbraw/zinc/80/74/57/664807457.db2.gz BKKJWQCKGZIXJN-DOMZBBRYSA-N 1 0 391.269 2.883 20 0 GFADRO COc1cc(CN2CCC([C@@]3(C)COC(=O)N3)CC2)c(Br)cn1 ZINC000932098120 664810159 /nfs/dbraw/zinc/81/01/59/664810159.db2.gz DEVQSBKTPXOTIE-MRXNPFEDSA-N 1 0 384.274 2.563 20 0 GFADRO CC[NH+]1CCC(NC(=O)CN2CCC[C@H]2c2cncc(Br)c2)CC1 ZINC000932251990 664816191 /nfs/dbraw/zinc/81/61/91/664816191.db2.gz GVXJCQZROCNCFC-KRWDZBQOSA-N 1 0 395.345 2.582 20 0 GFADRO C[NH+](C)CCN(Cc1ccsc1)C(=O)NC1(C(F)(F)F)CCOCC1 ZINC000932303994 664818873 /nfs/dbraw/zinc/81/88/73/664818873.db2.gz ORNVYHMDUDCPBT-UHFFFAOYSA-N 1 0 379.448 2.933 20 0 GFADRO CCc1ccc(Br)cc1C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000932621430 664830191 /nfs/dbraw/zinc/83/01/91/664830191.db2.gz KIIJJNWJZJEYMU-MRXNPFEDSA-N 1 0 394.357 2.910 20 0 GFADRO CC(C)[N@H+](C)CCNC(=O)c1cnn(Cc2ccccc2)c1Br ZINC000932728957 664834013 /nfs/dbraw/zinc/83/40/13/664834013.db2.gz TXILPKCCQJUFGY-UHFFFAOYSA-N 1 0 379.302 2.764 20 0 GFADRO O=C1N[C@@H](C2CC[NH+](C[C@H](O)COc3cc(Cl)ccc3Cl)CC2)CO1 ZINC000932785901 664838498 /nfs/dbraw/zinc/83/84/98/664838498.db2.gz ZPTSPCXLWPNPOR-DZGCQCFKSA-N 1 0 389.279 2.554 20 0 GFADRO CC[NH+]1CCC(NC(=O)CN2CCc3cc(Br)c(F)cc3C2)CC1 ZINC000932798453 664839352 /nfs/dbraw/zinc/83/93/52/664839352.db2.gz OCAGORTTZSJSTL-UHFFFAOYSA-N 1 0 398.320 2.547 20 0 GFADRO COc1ccc(C[N@@H+]2CCC[C@](O)(c3ccc(Br)cc3)C2)nn1 ZINC000932819874 664840377 /nfs/dbraw/zinc/84/03/77/664840377.db2.gz YNFVSRUIKJOEAL-QGZVFWFLSA-N 1 0 378.270 2.731 20 0 GFADRO CC[C@H](c1ccc(Br)cc1)[NH+]1CCC2(CC1)C[C@H](O)CNC2=O ZINC000932841082 664841621 /nfs/dbraw/zinc/84/16/21/664841621.db2.gz VAFQOGFDILKLJL-JKSUJKDBSA-N 1 0 381.314 2.863 20 0 GFADRO NS(=O)(=O)C[C@@H]1CC[N@H+](Cc2cc(Br)c3ccccc3c2)C1 ZINC000932949050 664844734 /nfs/dbraw/zinc/84/47/34/664844734.db2.gz NKRDDTZQQONSFU-GFCCVEGCSA-N 1 0 383.311 2.713 20 0 GFADRO O=C(CC[NH+]1CCC2(CC1)C[C@@H](O)CCO2)Nc1cccc(Br)c1 ZINC000933060465 664848699 /nfs/dbraw/zinc/84/86/99/664848699.db2.gz UUEVJFRRMCSZIG-INIZCTEOSA-N 1 0 397.313 2.784 20 0 GFADRO Cc1ccc2[nH]c(C(=O)N[C@@H](C)[C@H]3C[N@H+](C)CCN3C)cc2c1Br ZINC000933387443 664861494 /nfs/dbraw/zinc/86/14/94/664861494.db2.gz OJKXNGRQVADJIQ-BLLLJJGKSA-N 1 0 393.329 2.603 20 0 GFADRO C[C@](CO)(Cc1ccc(Br)cc1)[NH2+]C[C@H]1CC2(CCC2)C(=O)O1 ZINC000933438841 664864282 /nfs/dbraw/zinc/86/42/82/664864282.db2.gz GJZAPTULQAARPG-NVXWUHKLSA-N 1 0 382.298 2.818 20 0 GFADRO C[C@@H]1C[C@@H](N(C)C(=O)[C@](C)(O)c2ccc(F)c(Br)c2)CC[N@@H+]1C ZINC000933440418 664864398 /nfs/dbraw/zinc/86/43/98/664864398.db2.gz DQDPBAKUNUPJCU-BTJLNZGRSA-N 1 0 387.293 2.737 20 0 GFADRO C[C@](CO)(Cc1ccc(Br)cc1)[NH2+]C[C@H]1CC2(CO1)CCOCC2 ZINC000933440248 664864413 /nfs/dbraw/zinc/86/44/13/664864413.db2.gz KANMCKVZKJXSSH-QZTJIDSGSA-N 1 0 398.341 2.918 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2nc(Br)c3ccccn32)[C@H](C)C1 ZINC000933439980 664864497 /nfs/dbraw/zinc/86/44/97/664864497.db2.gz WRXLWGWWAYTMQL-OLZOCXBDSA-N 1 0 379.302 2.899 20 0 GFADRO Cn1cc([C@@H]2CSCCCN2CC(=O)N2CCc3sccc3C2)cn1 ZINC000933986776 664884954 /nfs/dbraw/zinc/88/49/54/664884954.db2.gz JEJLWQVLIYHTKG-INIZCTEOSA-N 1 0 376.551 2.547 20 0 GFADRO O=C(NC1CC[NH+](C2CCCC2)CC1)C1(n2cc(Br)cn2)CC1 ZINC000934172372 664891614 /nfs/dbraw/zinc/89/16/14/664891614.db2.gz POYFJEQGNGDYMW-UHFFFAOYSA-N 1 0 381.318 2.658 20 0 GFADRO Cc1c(Br)cncc1NC(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000934248395 664893668 /nfs/dbraw/zinc/89/36/68/664893668.db2.gz VCHBSWSEZSCRLG-UHFFFAOYSA-N 1 0 376.258 2.902 20 0 GFADRO O=C(CC[N@H+]1CC[C@H]2[C@H]1CCCN2CCO)Nc1c(Cl)cccc1Cl ZINC000934265798 664895622 /nfs/dbraw/zinc/89/56/22/664895622.db2.gz WKJGGECICWCLIJ-CVEARBPZSA-N 1 0 386.323 2.853 20 0 GFADRO O=C(CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2CCO)c1ccc(Br)cc1 ZINC000934270577 664896660 /nfs/dbraw/zinc/89/66/60/664896660.db2.gz XAUAEAJWHCXGBR-ZWKOTPCHSA-N 1 0 395.341 2.943 20 0 GFADRO Cc1c(Br)cncc1NC(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000934273682 664897231 /nfs/dbraw/zinc/89/72/31/664897231.db2.gz IBBGHQXDUGIXKB-OCCSQVGLSA-N 1 0 385.331 2.854 20 0 GFADRO CCO[C@@H](C[NH2+][C@H](CO)c1ccccc1I)C1CC1 ZINC000934825907 664924454 /nfs/dbraw/zinc/92/44/54/664924454.db2.gz HQEXDGPFOWRKQP-CABCVRRESA-N 1 0 375.250 2.729 20 0 GFADRO OC[C@@H]([NH2+]C[C@H](O)Cc1ccccc1)c1ccccc1I ZINC000934826894 664924577 /nfs/dbraw/zinc/92/45/77/664924577.db2.gz HMPHNZARXCPIBZ-RHSMWYFYSA-N 1 0 397.256 2.518 20 0 GFADRO OC[C@@H]([NH2+]CCCc1ccncc1)c1ccccc1I ZINC000934828702 664925663 /nfs/dbraw/zinc/92/56/63/664925663.db2.gz RGAJZINWMOWRLF-MRXNPFEDSA-N 1 0 382.245 2.942 20 0 GFADRO O=C(c1cc(=O)[nH]cc1Br)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000935013252 664934042 /nfs/dbraw/zinc/93/40/42/664934042.db2.gz QUQZLQOMDCKYLQ-ABAIWWIYSA-N 1 0 380.286 2.639 20 0 GFADRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)c1nc(Br)c2ccccn21 ZINC000935151095 664942922 /nfs/dbraw/zinc/94/29/22/664942922.db2.gz KCDXWKASNJSULE-GFCCVEGCSA-N 1 0 379.302 2.899 20 0 GFADRO C[N@@H+]1CCCC12CCN(C(=O)c1cnn3cccc(Br)c13)CC2 ZINC000935216863 664946589 /nfs/dbraw/zinc/94/65/89/664946589.db2.gz FKGRMPYCXNCTQL-UHFFFAOYSA-N 1 0 377.286 2.797 20 0 GFADRO Cc1ccc(Br)c2cc(C(=O)NC3(CCO)CC[NH+](C)CC3)[nH]c21 ZINC000935269707 664949713 /nfs/dbraw/zinc/94/97/13/664949713.db2.gz DXWYPPKPIQHFSF-UHFFFAOYSA-N 1 0 394.313 2.815 20 0 GFADRO Cn1cc(Br)c(C(=O)Nc2ccccc2CC[NH+](C)C)cc1=O ZINC000935554648 664969635 /nfs/dbraw/zinc/96/96/35/664969635.db2.gz XKMFJTYLYVYVDZ-UHFFFAOYSA-N 1 0 378.270 2.504 20 0 GFADRO CN(CC1([NH+](C)C)CCC1)C(=O)c1cc(Br)c2nccnc2c1 ZINC000935552576 664969734 /nfs/dbraw/zinc/96/97/34/664969734.db2.gz DOWOUCXAUBAQHK-UHFFFAOYSA-N 1 0 377.286 2.949 20 0 GFADRO C[NH+](C)[C@@H]1CCCN(C(=O)[C@](C)(O)c2ccc(F)c(Br)c2)CC1 ZINC000935650758 664977491 /nfs/dbraw/zinc/97/74/91/664977491.db2.gz YDSQJIAJTPNXLQ-CXAGYDPISA-N 1 0 387.293 2.738 20 0 GFADRO CC(C)c1ncc(Br)c(C(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)n1 ZINC000935654749 664978635 /nfs/dbraw/zinc/97/86/35/664978635.db2.gz HRNHRXKRUKBWPK-CYBMUJFWSA-N 1 0 399.333 2.593 20 0 GFADRO Cc1cc(C(=O)N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)nn1-c1ccccc1Br ZINC000935694058 664982450 /nfs/dbraw/zinc/98/24/50/664982450.db2.gz GHFCQWWDZOIYKQ-OKILXGFUSA-N 1 0 389.297 2.577 20 0 GFADRO C[N@@H+]1CCN(CCNC(=O)C/C=C/c2ccc(Br)cc2)CC1(C)C ZINC000935819026 664990689 /nfs/dbraw/zinc/99/06/89/664990689.db2.gz PADONZJYEHQSHY-SNAWJCMRSA-N 1 0 394.357 2.995 20 0 GFADRO Cc1c(Br)ccc(F)c1C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000935818952 664990694 /nfs/dbraw/zinc/99/06/94/664990694.db2.gz MUBXEKGVEGMVAJ-UHFFFAOYSA-N 1 0 386.309 2.652 20 0 GFADRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1cnn2cccc(Br)c12 ZINC000935941745 665000505 /nfs/dbraw/zinc/00/05/05/665000505.db2.gz SOXPLYVWZCWVSE-QWHCGFSZSA-N 1 0 377.286 2.796 20 0 GFADRO O=C(C/C=C/c1ccc(Br)cc1)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000935984440 665002380 /nfs/dbraw/zinc/00/23/80/665002380.db2.gz MSJQZAUAEDCIPC-UWPLUCTLSA-N 1 0 379.298 2.520 20 0 GFADRO CC(C)[N@@H+](C)C[C@H](C)NC(=O)C[C@H]1C(=O)Nc2ccc(Br)cc21 ZINC000936029341 665005093 /nfs/dbraw/zinc/00/50/93/665005093.db2.gz ARWUFZBMTJAEIX-SMDDNHRTSA-N 1 0 382.302 2.720 20 0 GFADRO C[C@@H]1CC[N@H+](CC(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2cc(Cl)cs2)C3)C1 ZINC000996389034 665031132 /nfs/dbraw/zinc/03/11/32/665031132.db2.gz WUXGBTGHSKZZHE-RZFFKMDDSA-N 1 0 381.929 2.605 20 0 GFADRO C[NH+]1CCC(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ccsc2Cl)C3)CC1 ZINC000996389032 665031214 /nfs/dbraw/zinc/03/12/14/665031214.db2.gz FWICJUDWDCSWLM-SNPRPXQTSA-N 1 0 381.929 2.605 20 0 GFADRO C[NH+](C)[C@@H](C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1sccc1Cl)C2)C1CC1 ZINC000997302843 665035317 /nfs/dbraw/zinc/03/53/17/665035317.db2.gz UQVPJXPIMRZEQO-UQOMUDLDSA-N 1 0 381.929 2.603 20 0 GFADRO C[NH+](C)[C@@H](C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cscc1Cl)C2)C1CC1 ZINC000997468346 665036507 /nfs/dbraw/zinc/03/65/07/665036507.db2.gz UFNGWFQMLVXERJ-IPOQPSJVSA-N 1 0 381.929 2.603 20 0 GFADRO Cc1csc(Cl)c1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000999034010 665042207 /nfs/dbraw/zinc/04/22/07/665042207.db2.gz WTKKIDUVDUGXTA-MQYQWHSLSA-N 1 0 381.929 2.523 20 0 GFADRO C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccsc1Cl ZINC001006280609 665069697 /nfs/dbraw/zinc/06/96/97/665069697.db2.gz OZCJKCWIZGUOFK-GBOPCIDUSA-N 1 0 381.929 2.748 20 0 GFADRO C[N@H+](CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(Cl)s1)C2)C1CCC1 ZINC001006406531 665070565 /nfs/dbraw/zinc/07/05/65/665070565.db2.gz XVUMWUQVJCKGQY-MCIONIFRSA-N 1 0 381.929 2.748 20 0 GFADRO O=C(N[C@H]1C[C@H]([NH2+]Cc2ccccc2Br)C1)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001020613970 665073269 /nfs/dbraw/zinc/07/32/69/665073269.db2.gz CCNGEYNMQZIGGN-IETPZCKNSA-N 1 0 379.298 2.753 20 0 GFADRO COc1c(Br)cc(Cl)cc1S(=O)(=O)N[C@@H](C)CCCC[NH3+] ZINC000387014913 677407851 /nfs/dbraw/zinc/40/78/51/677407851.db2.gz YKQHLZKYUQMMHN-VIFPVBQESA-N 1 0 399.738 2.907 20 0 GFADRO C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1[NH2+]Cc1c(Br)cnn1C ZINC000389777852 677408452 /nfs/dbraw/zinc/40/84/52/677408452.db2.gz BTJKFBHMOPCMOI-DGCLKSJQSA-N 1 0 387.322 2.918 20 0 GFADRO [NH3+]C[C@H]1CCCC[C@@]12NC(=O)N(Cc1cccc(F)c1Br)C2=O ZINC000390966943 677408952 /nfs/dbraw/zinc/40/89/52/677408952.db2.gz HBJMTDGRLDDWQD-BDJLRTHQSA-N 1 0 384.249 2.528 20 0 GFADRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000391751926 677409276 /nfs/dbraw/zinc/40/92/76/677409276.db2.gz PMHGCHYARLYNSA-GFCCVEGCSA-N 1 0 375.878 2.709 20 0 GFADRO C[C@@H]1CC[NH2+][C@@H](C)[C@H]1NC(=O)c1ccc(S(=O)(=O)c2ccccc2)s1 ZINC000579581611 677673444 /nfs/dbraw/zinc/67/34/44/677673444.db2.gz KYSNZARRTJHWBJ-IGCXYCKISA-N 1 0 378.519 2.697 20 0 GFADRO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)c1nc(C2CC2)ncc1Br ZINC000579787322 677673547 /nfs/dbraw/zinc/67/35/47/677673547.db2.gz QRKROBLQCLCOLE-CYBMUJFWSA-N 1 0 381.318 2.967 20 0 GFADRO OC[C@@H]1CC[N@H+](Cc2c(-c3ccc(Cl)cc3)nc3sccn23)C[C@@H]1O ZINC000580252503 677673939 /nfs/dbraw/zinc/67/39/39/677673939.db2.gz AGRNGKFYBCZFFI-BBRMVZONSA-N 1 0 377.897 2.891 20 0 GFADRO CCN(CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@H]3[NH2+]CCO[C@H]3C2)n1 ZINC001164389896 718824607 /nfs/dbraw/zinc/82/46/07/718824607.db2.gz KRFVFIKWMMYACR-CVEARBPZSA-N 1 0 389.569 2.717 20 0 GFADRO Fc1ccc2nc(C(F)(F)N3CCO[C@@H]4C[NH2+]CC[C@@H]4C3)nc(Cl)c2c1 ZINC001164403410 718862376 /nfs/dbraw/zinc/86/23/76/718862376.db2.gz NNCNCYSFCGEVRT-QMTHXVAHSA-N 1 0 386.805 2.782 20 0 GFADRO [NH3+][C@@H]1[C@H]2CN(C(F)(F)Oc3cccc(COc4cncc(Cl)n4)c3)C[C@H]21 ZINC001164441338 718987126 /nfs/dbraw/zinc/98/71/26/718987126.db2.gz ZAVDLLCPDMNPJV-VIKVFOODSA-N 1 0 382.798 2.527 20 0 GFADRO CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@@H]2N1C(F)(F)c1cnc(Cl)c(C2CC2)c1 ZINC001164614984 719020087 /nfs/dbraw/zinc/02/00/87/719020087.db2.gz HAFVQYIHCORKEK-UGFHNGPFSA-N 1 0 385.842 2.887 20 0 GFADRO CCOC(=O)C1CC[NH+](C2CCN(c3nc4ccccc4c(OC)n3)CC2)CC1 ZINC001164617361 719027927 /nfs/dbraw/zinc/02/79/27/719027927.db2.gz KNFAAVVANDNEOK-UHFFFAOYSA-N 1 0 398.507 2.882 20 0 GFADRO CCOC(=O)C1CC[NH+](C2CCN(c3nc4nc[nH]c4cc3Cl)CC2)CC1 ZINC001164617921 719028620 /nfs/dbraw/zinc/02/86/20/719028620.db2.gz RZZSNZWTOLYNHA-UHFFFAOYSA-N 1 0 391.903 2.855 20 0 GFADRO CCOC(=O)C1CC[NH+](C2CCN(c3nc(C)c(Cl)c(C)n3)CC2)CC1 ZINC001164617464 719028810 /nfs/dbraw/zinc/02/88/10/719028810.db2.gz MDZJBHLXNJPXSW-UHFFFAOYSA-N 1 0 380.920 2.991 20 0 GFADRO COC(=O)c1cc(Cl)nc(C(F)(F)N2C[C@H](CF)[C@@H](C3([NH3+])CC3)C2)c1 ZINC001164623976 719119836 /nfs/dbraw/zinc/11/98/36/719119836.db2.gz SSYBLVUOFCBPMH-QWRGUYRKSA-N 1 0 377.794 2.580 20 0 GFADRO Cc1sc2nc(CN3CCOCC3)nc(N3C[C@@H](C)[N@@H+](C)C[C@@H]3C)c2c1C ZINC001164631342 719236835 /nfs/dbraw/zinc/23/68/35/719236835.db2.gz DAXAGUXDMLUSAO-KGLIPLIRSA-N 1 0 389.569 2.669 20 0 GFADRO O=C(CC1CC1)N[C@@H]1CN(c2ncccc2C[NH+]2CCCC2)C[C@H]2CCCO[C@H]21 ZINC001164654611 719326540 /nfs/dbraw/zinc/32/65/40/719326540.db2.gz MAIQIFDDGHMCJL-SYYKKAFVSA-N 1 0 398.551 2.578 20 0 GFADRO CC(C)N(C)Cc1nn(-c2ncc3c(n2)-c2ccccc2CC3)c2c1CC[NH2+]C2 ZINC001164680160 719634622 /nfs/dbraw/zinc/63/46/22/719634622.db2.gz QPYOLLAQTOQUQT-UHFFFAOYSA-N 1 0 388.519 2.914 20 0 GFADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1nc(SC)nc3ccccc31)CC2 ZINC001164684759 719722836 /nfs/dbraw/zinc/72/28/36/719722836.db2.gz KNVDRKASUGMIEW-UHFFFAOYSA-N 1 0 385.537 2.533 20 0 GFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ncc(C(=O)OC)cc1Cl)C2 ZINC001164809283 720068316 /nfs/dbraw/zinc/06/83/16/720068316.db2.gz JFHQFYKEASPBBX-OXQOHEQNSA-N 1 0 393.915 2.706 20 0 GFADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@H]3[C@H]2CC(=O)N3c2cnn(C)c2)nc1 ZINC001164712468 720076379 /nfs/dbraw/zinc/07/63/79/720076379.db2.gz QBEHZDHOCYKQGN-HSALFYBXSA-N 1 0 394.523 2.746 20 0 GFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ncnc3nc(Cl)ccc31)C2 ZINC001164809783 720083783 /nfs/dbraw/zinc/08/37/83/720083783.db2.gz KGNOXMGEKGSUSL-QRWLVFNGSA-N 1 0 387.915 2.863 20 0 GFADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncc(F)c(C)n1)CC2 ZINC001164719105 720114874 /nfs/dbraw/zinc/11/48/74/720114874.db2.gz WCHHXIOHIJKBIX-SFHVURJKSA-N 1 0 385.487 2.827 20 0 GFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ccc(-c3ccccn3)nn1)C2 ZINC001164819856 720180869 /nfs/dbraw/zinc/18/08/69/720180869.db2.gz YRBLVLKSDFXMQC-GCJKJVERSA-N 1 0 379.508 2.723 20 0 GFADRO Cc1cc(Cl)cc(N2CCCn3c(=O)cc(C[N@@H+](C)C(C)C)nc3C2)n1 ZINC001164812852 720210642 /nfs/dbraw/zinc/21/06/42/720210642.db2.gz MQVVXORAPFVBPW-UHFFFAOYSA-N 1 0 375.904 2.851 20 0 GFADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1ncnc3c(F)cccc31)CCC2 ZINC001164814072 720220998 /nfs/dbraw/zinc/22/09/98/720220998.db2.gz SAXUFEHKNZQXPC-UHFFFAOYSA-N 1 0 396.470 2.576 20 0 GFADRO Cc1ccc(Cl)c(N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164819268 720303707 /nfs/dbraw/zinc/30/37/07/720303707.db2.gz DFKQGQTVBLDFFH-QZTJIDSGSA-N 1 0 376.932 2.955 20 0 GFADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2cc(Cl)ncc2F)CC1 ZINC001164826612 720315518 /nfs/dbraw/zinc/31/55/18/720315518.db2.gz VWXBQNFVCQRNDT-CVEARBPZSA-N 1 0 380.895 2.786 20 0 GFADRO Cc1cc(N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc(C2CC2)n1 ZINC001164830707 720344792 /nfs/dbraw/zinc/34/47/92/720344792.db2.gz WPWUVVGYFRJCGH-MOPGFXCFSA-N 1 0 383.540 2.574 20 0 GFADRO COC(=O)c1ccc2cnc(N3CC[C@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)nc2c1 ZINC001164721610 720346299 /nfs/dbraw/zinc/34/62/99/720346299.db2.gz CLWORMQVFWSWGH-VQTJNVASSA-N 1 0 389.459 2.665 20 0 GFADRO CCOC(=O)c1cnc(N2CC[C@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)cc1OCC ZINC001164731453 720380887 /nfs/dbraw/zinc/38/08/87/720380887.db2.gz ZUYHBKXGSMHNFW-RBUKOAKNSA-N 1 0 396.491 2.905 20 0 GFADRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(C(F)(F)c2nc(Cl)cc(Cl)n2)C1 ZINC001164730759 720507927 /nfs/dbraw/zinc/50/79/27/720507927.db2.gz NIFQJQGSWVJGEL-SNVBAGLBSA-N 1 0 391.253 2.723 20 0 GFADRO COC(=O)c1cc(C)nc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c1 ZINC001164839394 720510443 /nfs/dbraw/zinc/51/04/43/720510443.db2.gz UAHJALHBQXVGSH-HSALFYBXSA-N 1 0 397.523 2.751 20 0 GFADRO CCOC(=O)c1cccnc1N1CC[C@@H]2[C@H](C[C@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164837901 720511535 /nfs/dbraw/zinc/51/15/35/720511535.db2.gz QMJUNSMCXGTZHE-QWFCFKBJSA-N 1 0 397.523 2.833 20 0 GFADRO CC(C)[N@H+]1[C@@H]2CCN(c3ncnc4cnc(F)cc43)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164834746 720524142 /nfs/dbraw/zinc/52/41/42/720524142.db2.gz HLBIFZORZLDUJE-TXPKVOOTSA-N 1 0 395.486 2.738 20 0 GFADRO Cc1nc(-c2ccncc2)nc(N2Cc3nccn3C[C@@H](C[NH+](C)C)C2)c1C ZINC001164735432 720528476 /nfs/dbraw/zinc/52/84/76/720528476.db2.gz XFSBPBFWJXWUEQ-QGZVFWFLSA-N 1 0 377.496 2.550 20 0 GFADRO C[NH+](C)C[C@H]1Cn2ccnc2CN(c2nc(Cl)cc(-c3ccncc3)n2)C1 ZINC001164735277 720533078 /nfs/dbraw/zinc/53/30/78/720533078.db2.gz NUDBRRPZTUEREH-AWEZNQCLSA-N 1 0 383.887 2.587 20 0 GFADRO COC(=O)c1ccc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)nc1C ZINC001164838969 720533279 /nfs/dbraw/zinc/53/32/79/720533279.db2.gz PGUPMLIDHWTMGA-QWFCFKBJSA-N 1 0 397.523 2.751 20 0 GFADRO CC(C)[N@H+]1[C@@H]2CCN(c3ncc(OC(F)F)cn3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164842140 720564715 /nfs/dbraw/zinc/56/47/15/720564715.db2.gz WVZYERCYJPAENP-YQQAZPJKSA-N 1 0 392.454 2.652 20 0 GFADRO FC(F)(c1cc(Cl)ncn1)N1CCCn2cnc(C[NH2+]C3CCC3)c2C1 ZINC001164837449 720736441 /nfs/dbraw/zinc/73/64/41/720736441.db2.gz JYLSOYHDMRQXQV-UHFFFAOYSA-N 1 0 382.846 2.924 20 0 GFADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@H](NC(=O)C3CCC3)[C@@H]3COC[C@@H]32)nc1 ZINC001164845869 720804219 /nfs/dbraw/zinc/80/42/19/720804219.db2.gz HKNSHZYMCOVGLU-BURNTYAHSA-N 1 0 398.551 2.748 20 0 GFADRO Fc1cnc(Cl)cc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164739579 720826100 /nfs/dbraw/zinc/82/61/00/720826100.db2.gz HYFAWHYVZDNJBO-ZMSDIMECSA-N 1 0 390.894 2.845 20 0 GFADRO CC(C)Cc1cc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)ncn1 ZINC001164741462 720850068 /nfs/dbraw/zinc/85/00/68/720850068.db2.gz FHSRJZAOMWDNTQ-HLAWJBBLSA-N 1 0 395.555 2.646 20 0 GFADRO COCC[N@@H+]1CCO[C@H]2CN(c3cc(C)c4cc(OC)ccc4n3)CC[C@@H]2C1 ZINC001164858456 720855369 /nfs/dbraw/zinc/85/53/69/720855369.db2.gz SCWCKLZIYYWPHB-UTKZUKDTSA-N 1 0 385.508 2.725 20 0 GFADRO Cc1cc(C(C)C)nc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164746917 720858474 /nfs/dbraw/zinc/85/84/74/720858474.db2.gz HEXAHFGUTFRADP-SVFBPWRDSA-N 1 0 395.555 2.879 20 0 GFADRO COCC[N@@H+]1CCO[C@H]2CN(c3nc(SC)nc4ccccc43)CC[C@@H]2C1 ZINC001164858933 720859542 /nfs/dbraw/zinc/85/95/42/720859542.db2.gz SYRFLHOQCIIHLO-QAPCUYQASA-N 1 0 388.537 2.525 20 0 GFADRO COCC[N@@H+]1CCO[C@H]2CN(c3nc(C(F)F)nc4ccccc43)CC[C@@H]2C1 ZINC001164862297 720880835 /nfs/dbraw/zinc/88/08/35/720880835.db2.gz RNJHRNOKKQCAAR-PBHICJAKSA-N 1 0 392.450 2.741 20 0 GFADRO Cc1cc(Cl)nc(N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@H]2C)c1C(N)=O ZINC001164863218 720927655 /nfs/dbraw/zinc/92/76/55/720927655.db2.gz XQHJRAGXISXDNG-CYBMUJFWSA-N 1 0 390.919 2.760 20 0 GFADRO CC(C)[N@H+](C)Cc1cnc2n1CCN([C@@H](F)Oc1ccc(Cl)nn1)[C@@H]2C ZINC001164863641 721022008 /nfs/dbraw/zinc/02/20/08/721022008.db2.gz UNRUWMGLWDZACG-SJKOYZFVSA-N 1 0 382.871 2.875 20 0 GFADRO Cc1cccc(CN2C(=O)C[C@H]3[C@H]2CCN3c2ccc(C[N@@H+](C)C3CC3)cn2)n1 ZINC001164766624 721055360 /nfs/dbraw/zinc/05/53/60/721055360.db2.gz FQQVBLUMUCONKP-RTWAWAEBSA-N 1 0 391.519 2.759 20 0 GFADRO FC(F)(c1ccc(Cl)nn1)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164870957 721061507 /nfs/dbraw/zinc/06/15/07/721061507.db2.gz XPIWCUZXKNJSAB-CABCVRRESA-N 1 0 395.841 2.550 20 0 GFADRO CSc1cnc(Cl)nc1N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164864482 721093970 /nfs/dbraw/zinc/09/39/70/721093970.db2.gz GCJNWDVAYIDBAM-CABCVRRESA-N 1 0 391.928 2.727 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4cnc5ccc(Cl)cc5n4)C[C@@H]3C2)cn1 ZINC001164768149 721118842 /nfs/dbraw/zinc/11/88/42/721118842.db2.gz NLPLNOUFPJPKAW-HOTGVXAUSA-N 1 0 382.899 2.975 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4ccc5nccc(Cl)c5n4)C[C@H]3C2)cn1 ZINC001164767777 721183342 /nfs/dbraw/zinc/18/33/42/721183342.db2.gz KNIFDMGOZAPAKU-JKSUJKDBSA-N 1 0 382.899 2.975 20 0 GFADRO CSc1ncc(Cl)nc1N1C[C@@H]2CC[N@H+](Cc3cnn(C)c3)C[C@@H]2C1 ZINC001164761992 721186960 /nfs/dbraw/zinc/18/69/60/721186960.db2.gz BJURBYGPCWHUTK-UONOGXRCSA-N 1 0 378.933 2.544 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4cc(-c5cccs5)ncn4)C[C@H]3C2)cn1 ZINC001164771803 721209440 /nfs/dbraw/zinc/20/94/40/721209440.db2.gz QTUXXMIWQGEEOR-DLBZAZTESA-N 1 0 380.521 2.897 20 0 GFADRO COc1ccc2nc(N3C[C@@H]4CC[N@H+](Cc5cnn(C)c5)C[C@@H]4C3)c(C)nc2c1 ZINC001164761434 721213289 /nfs/dbraw/zinc/21/32/89/721213289.db2.gz AZSYHEHUFJRHBI-ZWKOTPCHSA-N 1 0 392.507 2.639 20 0 GFADRO Cc1nc(-c2ccncc2)cc(N2C[C@@H]3C[N@H+](Cc4cnn(C)c4)CC[C@@H]3C2)n1 ZINC001164765783 721215599 /nfs/dbraw/zinc/21/55/99/721215599.db2.gz IGGJHJSGHQWELP-UXHICEINSA-N 1 0 389.507 2.539 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4ccc(-c5ccsc5)nn4)C[C@H]3C2)cn1 ZINC001164760087 721231612 /nfs/dbraw/zinc/23/16/12/721231612.db2.gz CEPKFVBIXPSHAC-FUHWJXTLSA-N 1 0 380.521 2.897 20 0 GFADRO Cc1ccc2nc(N3CCC4(CC3)COCC[N@@H+](CC(=O)N(C)C)C4)ccc2c1 ZINC001164872261 721261330 /nfs/dbraw/zinc/26/13/30/721261330.db2.gz CSNJJKCHUQFXGC-UHFFFAOYSA-N 1 0 396.535 2.550 20 0 GFADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4cnc5ccc(F)cc5n4)C3)O2)CC1 ZINC001164886504 721405250 /nfs/dbraw/zinc/40/52/50/721405250.db2.gz JHGDMAYQXOBRTE-AVRDEDQJSA-N 1 0 399.514 2.534 20 0 GFADRO COc1ccc(Cl)c(N2CC[C@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)n1 ZINC001164890423 721412779 /nfs/dbraw/zinc/41/27/79/721412779.db2.gz SPJRVIUYSOHOMM-JXFKEZNVSA-N 1 0 394.947 2.509 20 0 GFADRO Cc1cc2ccncc2nc1N1CC[C@@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2 ZINC001164895824 721444287 /nfs/dbraw/zinc/44/42/87/721444287.db2.gz QBFJTBZQHXKTIL-NFBKMPQASA-N 1 0 395.551 2.704 20 0 GFADRO CCSc1ccnc(N2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)c1 ZINC001164894297 721445765 /nfs/dbraw/zinc/44/57/65/721445765.db2.gz LLALWFXTPBQEBA-WIYYLYMNSA-N 1 0 390.597 2.959 20 0 GFADRO COc1cc(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)nc(OC)n1 ZINC001164792902 721492923 /nfs/dbraw/zinc/49/29/23/721492923.db2.gz VCTMRQYEZZUMQN-UHFFFAOYSA-N 1 0 383.496 2.770 20 0 GFADRO CCOC(=O)c1nccnc1N1CCC2(CC([N@H+](C)Cc3ccncc3)C2)CC1 ZINC001164792267 721495631 /nfs/dbraw/zinc/49/56/31/721495631.db2.gz MAWFAHACEHWMCL-UHFFFAOYSA-N 1 0 395.507 2.929 20 0 GFADRO COC(=O)c1cc(C)nc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)c1 ZINC001164896859 721511620 /nfs/dbraw/zinc/51/16/20/721511620.db2.gz BOVNKMHQVPNQPD-MJGOQNOKSA-N 1 0 385.439 2.658 20 0 GFADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)nc3c2CCC3)[C@H]2CCCO[C@@H]12 ZINC001164798927 721534162 /nfs/dbraw/zinc/53/41/62/721534162.db2.gz AAVVPBGYGBSHGE-IPMKNSEASA-N 1 0 399.926 2.882 20 0 GFADRO COC(=O)c1cc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)ncc1C ZINC001164905875 721540511 /nfs/dbraw/zinc/54/05/11/721540511.db2.gz JLDUBFLZYMMVET-SJLPKXTDSA-N 1 0 385.439 2.658 20 0 GFADRO CC(C)C(=O)N1CCC[C@@]12CCN(c1cccc(OCC[NH+]3CCCC3)n1)C2 ZINC001165009367 721726092 /nfs/dbraw/zinc/72/60/92/721726092.db2.gz WWKUIOGYJJNEHN-QFIPXVFZSA-N 1 0 386.540 2.784 20 0 GFADRO CC(C)c1c(Cl)ncnc1N1CCCC12CC[NH+](CC(=O)N(C)C)CC2 ZINC001165012866 721748863 /nfs/dbraw/zinc/74/88/63/721748863.db2.gz PSAVJTDAPJYGOA-UHFFFAOYSA-N 1 0 379.936 2.776 20 0 GFADRO CCOc1cc(N(C)C2CC[NH+](Cc3c(OC)cccc3OC)CC2)ncn1 ZINC001165020426 721843600 /nfs/dbraw/zinc/84/36/00/721843600.db2.gz DMUGGPRICCYRSY-UHFFFAOYSA-N 1 0 386.496 2.993 20 0 GFADRO COc1cccc2c1nc(Cl)nc2N1CC[C@H]2[C@H]1CC[N@@H+]2CCN(C)C ZINC001164926949 721862630 /nfs/dbraw/zinc/86/26/30/721862630.db2.gz TVFFYVQJFURTMK-LSDHHAIUSA-N 1 0 375.904 2.506 20 0 GFADRO C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2c1cc(Cl)ncc1C(=O)OC(C)(C)C ZINC001164927031 721869335 /nfs/dbraw/zinc/86/93/35/721869335.db2.gz UHXPINBPCBJBFX-HOTGVXAUSA-N 1 0 394.947 2.905 20 0 GFADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4cc5c(nn4)CCOC5)CC3)C2)cc1 ZINC001164940133 721933096 /nfs/dbraw/zinc/93/30/96/721933096.db2.gz QMTYFLLBVQQMLY-UHFFFAOYSA-N 1 0 394.519 2.729 20 0 GFADRO Cc1[nH+]c(N2CCC3(CC2)C(=O)NCCN3Cc2ccccc2)cc2[nH]ccc21 ZINC001164945027 721977502 /nfs/dbraw/zinc/97/75/02/721977502.db2.gz ATNDXVLRVAIQPQ-UHFFFAOYSA-N 1 0 389.503 2.842 20 0 GFADRO Cc1nnc(Cl)cc1N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164959478 722054093 /nfs/dbraw/zinc/05/40/93/722054093.db2.gz KVSLCBGMDKTZLP-UHFFFAOYSA-N 1 0 387.915 2.952 20 0 GFADRO Clc1nc2c(c(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)n1)CCC2 ZINC001164979154 722103971 /nfs/dbraw/zinc/10/39/71/722103971.db2.gz HFNSZUMZWMFSDS-LPHOPBHVSA-N 1 0 399.926 2.741 20 0 GFADRO COc1ccc(Cl)c(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164983738 722119901 /nfs/dbraw/zinc/11/99/01/722119901.db2.gz ZPDRPHRPRVCGCA-WMZOPIPTSA-N 1 0 388.899 2.866 20 0 GFADRO Clc1nnc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c2occc21 ZINC001164977049 722130720 /nfs/dbraw/zinc/13/07/20/722130720.db2.gz IDQNXDPGIFOXOL-RDJZCZTQSA-N 1 0 399.882 2.999 20 0 GFADRO CCSc1cncc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164978933 722146574 /nfs/dbraw/zinc/14/65/74/722146574.db2.gz LBVJGSYIYPUVOV-ZWKOTPCHSA-N 1 0 385.537 2.711 20 0 GFADRO CSCc1ccnc(N2CCCn3cnc(COCC[NH+](C)C)c3C2)c1 ZINC001165004384 722257602 /nfs/dbraw/zinc/25/76/02/722257602.db2.gz QRKXCONLEGGHDN-UHFFFAOYSA-N 1 0 375.542 2.630 20 0 GFADRO CN1CC(=O)N(c2cccc(F)c2)C[C@@]12CCN(c1cc3[nH]ccc3c[nH+]1)C2 ZINC001165004253 722261341 /nfs/dbraw/zinc/26/13/41/722261341.db2.gz PSRUATOVONYNEL-NRFANRHFSA-N 1 0 379.439 2.630 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)Nc2nnc(C(F)(F)F)s2)CC[C@H]1C(F)(F)F ZINC000625837892 531915678 /nfs/dbraw/zinc/91/56/78/531915678.db2.gz PNHMNNYRIGDIAG-NTSWFWBYSA-N 1 0 377.314 2.548 20 0 GFADRO NC(=O)[C@@H]1CCCN1CCCNc1nc2c(cccc2Br)s1 ZINC000624511308 532396529 /nfs/dbraw/zinc/39/65/29/532396529.db2.gz XVXXODDBKMJAEG-NSHDSACASA-N 1 0 383.315 2.811 20 0 GFADRO Cc1cc(N(C)C)nc(NCc2cc(Br)c3c(c2)OCCO3)[nH+]1 ZINC000507734440 532758772 /nfs/dbraw/zinc/75/87/72/532758772.db2.gz WNVDQAKURZKMMT-UHFFFAOYSA-N 1 0 379.258 2.997 20 0 GFADRO Cc1ncccc1C[NH2+]C[C@@H]1CC(=O)N(C)[C@H]1c1cnn(Cc2ccccc2)c1 ZINC000328608543 206232158 /nfs/dbraw/zinc/23/21/58/206232158.db2.gz ZLMWFDKLWPDRRG-NZQKXSOJSA-N 1 0 389.503 2.944 20 0 GFADRO CCN1CCC[C@@H](C[N@H+](C)Cc2ccc(C(=O)NC)cc2)[C@@H]1c1cnn(C)c1 ZINC000328637741 206236912 /nfs/dbraw/zinc/23/69/12/206236912.db2.gz OTRULGPFCAQHSN-PZJWPPBQSA-N 1 0 383.540 2.685 20 0 GFADRO C[N@H+](Cc1ccccc1)[C@H]1CCCN(C(=O)NCCCN2CCCC2=O)CC1 ZINC000359879289 206266647 /nfs/dbraw/zinc/26/66/47/206266647.db2.gz RREKWIRJXKRLPD-FQEVSTJZSA-N 1 0 386.540 2.695 20 0 GFADRO COc1cccc([C@H](NC(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)c2nccn2C)c1 ZINC000359927280 206270652 /nfs/dbraw/zinc/27/06/52/206270652.db2.gz KSGHQUYUFRVNBU-XLIONFOSSA-N 1 0 399.539 2.938 20 0 GFADRO C[N@@H+]1CCCN(C(=O)[C@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000097213284 208343836 /nfs/dbraw/zinc/34/38/36/208343836.db2.gz FNWDQQCESXJVOR-MRXNPFEDSA-N 1 0 384.307 2.762 20 0 GFADRO Cc1ccc(S(=O)(=O)N2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)c(Br)c1 ZINC000397251694 563531947 /nfs/dbraw/zinc/53/19/47/563531947.db2.gz CTNVVOATMOGWNT-UPJWGTAASA-N 1 0 375.332 2.751 20 0 GFADRO C[C@H]1OCC[C@@]1(O)C[NH2+]Cc1cc(Cl)ccc1I ZINC000405804341 563539669 /nfs/dbraw/zinc/53/96/69/563539669.db2.gz SDRNZZTYVZKYIF-NOZJJQNGSA-N 1 0 381.641 2.574 20 0 GFADRO CC[S@](=O)[C@@H]1CCC[C@H]([NH2+]Cc2ncc(I)s2)C1 ZINC000286517421 563563425 /nfs/dbraw/zinc/56/34/25/563563425.db2.gz NADCXGKUDDVNHJ-VOQFUICPSA-N 1 0 398.335 2.917 20 0 GFADRO CCOc1c(Br)cc(C[NH2+]CCCS(=O)(=O)CC)cc1OC ZINC000414546351 563746266 /nfs/dbraw/zinc/74/62/66/563746266.db2.gz TXZNOGJAQICCIJ-UHFFFAOYSA-N 1 0 394.331 2.771 20 0 GFADRO C[NH+](C)Cc1ccc(CNS(=O)(=O)c2ccccc2Br)cc1 ZINC000008060056 551103044 /nfs/dbraw/zinc/10/30/44/551103044.db2.gz RABJBLYODOHJMO-UHFFFAOYSA-N 1 0 383.311 2.989 20 0 GFADRO C[C@@H]1C[C@H](C)C[N@@H+](CC(=O)Nc2ccc(Cl)c(S(=O)(=O)N(C)C)c2)C1 ZINC000016475877 551111551 /nfs/dbraw/zinc/11/15/51/551111551.db2.gz RNVLUZIOGWUNRE-BETUJISGSA-N 1 0 387.933 2.507 20 0 GFADRO COc1ccc(S(=O)(=O)NCC[NH+]2CCCCCC2)cc1Br ZINC000024682702 551119807 /nfs/dbraw/zinc/11/98/07/551119807.db2.gz NWDPKRPDMOYVEV-UHFFFAOYSA-N 1 0 391.331 2.612 20 0 GFADRO O=C(NC1CC[NH+](C[C@H](O)COc2cc(Cl)ccc2Cl)CC1)C1CC1 ZINC000030539138 551127985 /nfs/dbraw/zinc/12/79/85/551127985.db2.gz PUDMPSJEKXLILA-HNNXBMFYSA-N 1 0 387.307 2.724 20 0 GFADRO CCOc1cc(C[NH2+]CC(=O)NCc2ccco2)cc(Br)c1OC ZINC000030642134 551128563 /nfs/dbraw/zinc/12/85/63/551128563.db2.gz VWZKYVBDMVTALV-UHFFFAOYSA-N 1 0 397.269 2.855 20 0 GFADRO CC(C)(C)[NH+]1CCC(NS(=O)(=O)c2ccccc2Br)CC1 ZINC000040446376 551134704 /nfs/dbraw/zinc/13/47/04/551134704.db2.gz JCVQCJXVGAOXFH-UHFFFAOYSA-N 1 0 375.332 2.990 20 0 GFADRO C[C@H](C[NH+]1CCCCC1)NS(=O)(=O)c1ccc(F)cc1Br ZINC000040446153 551134994 /nfs/dbraw/zinc/13/49/94/551134994.db2.gz HUTUZJKOIWQDNX-LLVKDONJSA-N 1 0 379.295 2.741 20 0 GFADRO O=C(CNC(=O)NC1CC[NH+](C2CC2)CC1)Nc1cc(Cl)ccc1Cl ZINC000043138781 551140989 /nfs/dbraw/zinc/14/09/89/551140989.db2.gz JMYHRAXWBZYNDG-UHFFFAOYSA-N 1 0 385.295 2.858 20 0 GFADRO O=S(=O)(c1cccc(Br)c1F)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000440846520 563751708 /nfs/dbraw/zinc/75/17/08/563751708.db2.gz MITCHMWWVOSIOT-ZDUSSCGKSA-N 1 0 391.306 2.741 20 0 GFADRO Cc1cc(NC(=O)C(=O)NCCC[NH+]2CCC(C)CC2)ccc1Br ZINC000049298668 551158727 /nfs/dbraw/zinc/15/87/27/551158727.db2.gz CLBAMKWSJISJKY-UHFFFAOYSA-N 1 0 396.329 2.934 20 0 GFADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)[C@@H]1C[C@@H]1c1cccc(Br)c1 ZINC000049993858 551159983 /nfs/dbraw/zinc/15/99/83/551159983.db2.gz VLKUACYFJOTVAX-QBPKDAKJSA-N 1 0 379.298 2.532 20 0 GFADRO CC[NH+]1CCN([C@H](C)CNC(=O)[C@@H]2C[C@@H]2c2cccc(Br)c2)CC1 ZINC000049993342 551160276 /nfs/dbraw/zinc/16/02/76/551160276.db2.gz XMFSBTWWPGRVBQ-ZTFGCOKTSA-N 1 0 394.357 2.695 20 0 GFADRO CC[NH+]1CCN(CCNC(=O)CSCc2ccc(Cl)cc2Cl)CC1 ZINC000056972792 551178666 /nfs/dbraw/zinc/17/86/66/551178666.db2.gz SHBWADAXXQAYOV-UHFFFAOYSA-N 1 0 390.380 2.980 20 0 GFADRO CC[NH+]1CCN([C@H]2CCN(CCOc3ccccc3Br)C2)CC1 ZINC000093790951 551195934 /nfs/dbraw/zinc/19/59/34/551195934.db2.gz ZPNGOSYPFMIMHB-INIZCTEOSA-N 1 0 382.346 2.540 20 0 GFADRO CC[NH+]1CCN(CCC(=O)NCC(C)(C)c2cccc(Br)c2)CC1 ZINC000101683841 551197602 /nfs/dbraw/zinc/19/76/02/551197602.db2.gz VMGJQEGDYOGODB-UHFFFAOYSA-N 1 0 396.373 2.871 20 0 GFADRO C[C@@H](C(=O)NCc1cn2cc(Br)ccc2n1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000101650955 551197635 /nfs/dbraw/zinc/19/76/35/551197635.db2.gz YHJOCHBITSRSRK-XQQFMLRXSA-N 1 0 379.302 2.974 20 0 GFADRO CN(CC[NH+]1CCCC1)C(=O)c1ccc(I)c(F)c1 ZINC000104411248 551198511 /nfs/dbraw/zinc/19/85/11/551198511.db2.gz DZNFDAAFDGIQRE-UHFFFAOYSA-N 1 0 376.213 2.598 20 0 GFADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)N[C@H]1CCSc2ccc(Cl)cc21 ZINC000106522977 551200058 /nfs/dbraw/zinc/20/00/58/551200058.db2.gz VTEQXFBMQPVQAS-CJNGLKHVSA-N 1 0 382.961 2.812 20 0 GFADRO CC[NH+]1CCN([C@H]2CCN(C(=O)NCc3ccc(Cl)cc3Cl)C2)CC1 ZINC000106515626 551200112 /nfs/dbraw/zinc/20/01/12/551200112.db2.gz LKXFJVQGZQLPGD-INIZCTEOSA-N 1 0 385.339 2.915 20 0 GFADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N[C@@H]1CCSc2ccc(Cl)cc21 ZINC000106522970 551200169 /nfs/dbraw/zinc/20/01/69/551200169.db2.gz VTEQXFBMQPVQAS-XJKSGUPXSA-N 1 0 382.961 2.812 20 0 GFADRO NC(=O)c1cc(Cl)nnc1NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000110100764 551202463 /nfs/dbraw/zinc/20/24/63/551202463.db2.gz ZDTINNYUJHXVSF-UHFFFAOYSA-N 1 0 380.279 2.959 20 0 GFADRO CC[N@H+](CCNC(=O)COc1ccc(I)cc1)C(C)C ZINC000110424433 551204440 /nfs/dbraw/zinc/20/44/40/551204440.db2.gz JYSJTKKYYHHECA-UHFFFAOYSA-N 1 0 390.265 2.517 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(=O)c2cc(Br)ccc2[nH]1 ZINC000112627118 551206049 /nfs/dbraw/zinc/20/60/49/551206049.db2.gz PYLJCKODCFZRAE-GFCCVEGCSA-N 1 0 378.270 2.505 20 0 GFADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)c1ccnc(SCC(F)(F)F)c1 ZINC000112635677 551206832 /nfs/dbraw/zinc/20/68/32/551206832.db2.gz HALLWPPZLIHZBR-ZDUSSCGKSA-N 1 0 377.432 2.577 20 0 GFADRO CN(C)CC[NH+]1CCC(CNC(=O)c2cc(F)ccc2Br)CC1 ZINC000114141466 551209149 /nfs/dbraw/zinc/20/91/49/551209149.db2.gz KNHHDKITHWPYKZ-UHFFFAOYSA-N 1 0 386.309 2.592 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)Cc2ccc(Br)cc2)[C@H](C)C1 ZINC000120919335 551222913 /nfs/dbraw/zinc/22/29/13/551222913.db2.gz DGRHYULQUMQHPN-CJNGLKHVSA-N 1 0 389.359 2.941 20 0 GFADRO CCN1CC[NH+](C[C@H](C)CNC(=O)c2cccc(C)c2Br)CC1 ZINC000121064927 551226278 /nfs/dbraw/zinc/22/62/78/551226278.db2.gz SRPBCBUHJRHSRB-CQSZACIVSA-N 1 0 382.346 2.761 20 0 GFADRO CS(=O)(=O)NCCC[NH2+][C@@H]1CCSc2ccc(Br)cc21 ZINC000121225389 551230183 /nfs/dbraw/zinc/23/01/83/551230183.db2.gz CRJXNEKDXLDQJM-GFCCVEGCSA-N 1 0 379.345 2.515 20 0 GFADRO COc1ccc(S(=O)(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1Cl ZINC000121700980 551240335 /nfs/dbraw/zinc/24/03/35/551240335.db2.gz WCLJLRIDKYXWFZ-DYVFJYSZSA-N 1 0 384.929 2.986 20 0 GFADRO C[C@H]1CCC[N@@H+]1C1CCN(C(=O)C(=O)Nc2cccc(Br)c2)CC1 ZINC000121734486 551241585 /nfs/dbraw/zinc/24/15/85/551241585.db2.gz XZTWOFFDZPVPMO-ZDUSSCGKSA-N 1 0 394.313 2.863 20 0 GFADRO Cc1ccc(Br)c(NC(=O)C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)c1 ZINC000122070937 551294181 /nfs/dbraw/zinc/29/41/81/551294181.db2.gz QQXQNNUYYRPMCH-XJKSGUPXSA-N 1 0 394.313 2.639 20 0 GFADRO CC[NH+]1CCN(CCCNC(=O)c2cc(C)cc(C)c2Br)CC1 ZINC000122366743 551297168 /nfs/dbraw/zinc/29/71/68/551297168.db2.gz YXLTWVAZQNEQIU-UHFFFAOYSA-N 1 0 382.346 2.823 20 0 GFADRO C[NH+](C)CCCC1CCN(CC(=O)Nc2ccc(Br)cn2)CC1 ZINC000123299382 551304723 /nfs/dbraw/zinc/30/47/23/551304723.db2.gz YGRUPMQZAWCJAX-UHFFFAOYSA-N 1 0 383.334 2.836 20 0 GFADRO Cc1cc(Br)c(NC(=O)CN(C)CCC[NH3+])c(Br)c1 ZINC000123271080 551304754 /nfs/dbraw/zinc/30/47/54/551304754.db2.gz RXCDYFXLIRBYAM-UHFFFAOYSA-N 1 0 393.123 2.739 20 0 GFADRO Cc1cc(S(=O)(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)sc1Br ZINC000123632733 551307814 /nfs/dbraw/zinc/30/78/14/551307814.db2.gz XENQHCNFKPJPAB-NEPJUHHUSA-N 1 0 393.372 2.972 20 0 GFADRO O=C(c1csc(I)c1)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000124216361 551312492 /nfs/dbraw/zinc/31/24/92/551312492.db2.gz VXOMPJMZEUHVDQ-ZYHUDNBSSA-N 1 0 390.290 2.957 20 0 GFADRO COc1ccc(Br)c(C[N@@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)c1 ZINC000124457633 551314644 /nfs/dbraw/zinc/31/46/44/551314644.db2.gz QVGLCZVQYQSQBE-CQSZACIVSA-N 1 0 397.313 2.529 20 0 GFADRO C[C@H](NC(=O)C[N@H+](C)CCCn1ccnc1)c1ccc(Br)cc1 ZINC000124430528 551314813 /nfs/dbraw/zinc/31/48/13/551314813.db2.gz BXCJRJKLJGYBEA-AWEZNQCLSA-N 1 0 379.302 2.845 20 0 GFADRO O=C([C@@H]1CCC[N@H+](Cc2cnc(-c3ccsc3)s2)C1)N1CCOCC1 ZINC000124474575 551315462 /nfs/dbraw/zinc/31/54/62/551315462.db2.gz FQTLSZBUGDZWHP-CQSZACIVSA-N 1 0 377.535 2.942 20 0 GFADRO O=C1C[C@@H]([C@H]2CCCC[N@H+]2Cc2cc3c(cc2Br)OCCO3)CN1 ZINC000125142384 551319939 /nfs/dbraw/zinc/31/99/39/551319939.db2.gz FUDAPDAVMMIJDC-IUODEOHRSA-N 1 0 395.297 2.711 20 0 GFADRO Cc1c(Cl)cccc1S(=O)(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000127452113 551341017 /nfs/dbraw/zinc/34/10/17/551341017.db2.gz NITMCBUIKOMWHL-IRXDYDNUSA-N 1 0 386.945 2.695 20 0 GFADRO COc1ccc2oc(C[NH2+]CCN(C)S(=O)(=O)c3cccs3)cc2c1 ZINC000127644552 551342569 /nfs/dbraw/zinc/34/25/69/551342569.db2.gz SJTAGWJSOJGHMY-UHFFFAOYSA-N 1 0 380.491 2.913 20 0 GFADRO C[C@@H](Cn1cc(Br)cn1)[NH2+]Cc1ccc(CN2CCCC2=O)cc1 ZINC000128525768 551349907 /nfs/dbraw/zinc/34/99/07/551349907.db2.gz SOLDALAFGYHHNP-AWEZNQCLSA-N 1 0 391.313 2.946 20 0 GFADRO CCN(CC)C(=O)C[N@@H+]1CCCN(Cc2cc(O)ccc2Br)CC1 ZINC000129251820 551355266 /nfs/dbraw/zinc/35/52/66/551355266.db2.gz XJUBGHZRIYPCLE-UHFFFAOYSA-N 1 0 398.345 2.531 20 0 GFADRO CC[N@@H+]1CC[C@H](CNC(=O)c2c(F)cccc2I)C1 ZINC000129978025 551360901 /nfs/dbraw/zinc/36/09/01/551360901.db2.gz ZLIHGODYHQLDFX-SNVBAGLBSA-N 1 0 376.213 2.502 20 0 GFADRO C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]C[C@H](O)COCC1CC1 ZINC000129997017 551360945 /nfs/dbraw/zinc/36/09/45/551360945.db2.gz GQSFQPFWLCMWDT-LRDDRELGSA-N 1 0 385.302 2.543 20 0 GFADRO NC(=O)c1csc(C[NH2+]C[C@@H](c2ccccc2Cl)N2CCOCC2)c1 ZINC000130440786 551364894 /nfs/dbraw/zinc/36/48/94/551364894.db2.gz ZYXKAVRJFHUXOQ-KRWDZBQOSA-N 1 0 379.913 2.664 20 0 GFADRO CCN(C)C(=O)CC[NH+]1CCN([C@H](C)c2ccc(Br)cc2)CC1 ZINC000130533131 551365767 /nfs/dbraw/zinc/36/57/67/551365767.db2.gz NTOKFKDDXRGAFB-OAHLLOKOSA-N 1 0 382.346 2.996 20 0 GFADRO NC(=O)[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000130616999 551367487 /nfs/dbraw/zinc/36/74/87/551367487.db2.gz MKNRGKKEGBOJAX-PWSUYJOCSA-N 1 0 375.803 2.514 20 0 GFADRO O=S(=O)(c1c(F)cccc1Cl)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000132940076 551380615 /nfs/dbraw/zinc/38/06/15/551380615.db2.gz CQTXMTSHSXJHIO-UHFFFAOYSA-N 1 0 390.908 2.745 20 0 GFADRO CC[N@@H+]1CCCN(C(=O)CCNC(=O)Nc2ccc(Br)cc2)CC1 ZINC000133435072 551382892 /nfs/dbraw/zinc/38/28/92/551382892.db2.gz DATIBLQHYAVSGY-UHFFFAOYSA-N 1 0 397.317 2.515 20 0 GFADRO O=S(=O)(Cc1ccon1)NCC[NH2+][C@H]1CCc2c1cc(Cl)cc2Cl ZINC000134431299 551385460 /nfs/dbraw/zinc/38/54/60/551385460.db2.gz VLLGFIWPNUAMBF-HNNXBMFYSA-N 1 0 390.292 2.678 20 0 GFADRO C[NH+](C)CCOc1cccc(CNC(=O)c2cccnc2Br)c1 ZINC000135317458 551387269 /nfs/dbraw/zinc/38/72/69/551387269.db2.gz RKOCSFFOCNBEOO-UHFFFAOYSA-N 1 0 378.270 2.715 20 0 GFADRO COCC[NH+]1CCC(NC(=O)N(C)Cc2csc(Br)c2)CC1 ZINC000140475983 551393178 /nfs/dbraw/zinc/39/31/78/551393178.db2.gz YQCDCNUJWZZYCC-UHFFFAOYSA-N 1 0 390.347 2.763 20 0 GFADRO COc1cc(C(=O)N2CCC[N@@H+]3CCC[C@H]3C2)cc(OC)c1Br ZINC000142076739 551395079 /nfs/dbraw/zinc/39/50/79/551395079.db2.gz XDZVZIHVXSJLEV-ZDUSSCGKSA-N 1 0 383.286 2.777 20 0 GFADRO CC(C)[NH2+]C1CCN(C(=O)NCCOc2ncc(Cl)cc2Cl)CC1 ZINC000151031301 551406335 /nfs/dbraw/zinc/40/63/35/551406335.db2.gz XRBMVAYBYMKTBX-UHFFFAOYSA-N 1 0 375.300 2.939 20 0 GFADRO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C[C@H]1Sc2ccc(Cl)cc2NC1=O ZINC000151287412 551410795 /nfs/dbraw/zinc/41/07/95/551410795.db2.gz HYLHQTXSMSILDR-GOEBONIOSA-N 1 0 381.929 2.942 20 0 GFADRO O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000151624081 551418095 /nfs/dbraw/zinc/41/80/95/551418095.db2.gz UULHINQJDLNCIU-CYBMUJFWSA-N 1 0 378.416 2.692 20 0 GFADRO O=C(NCCCC[N@H+]1CCC[C@@H]1CO)[C@H]1C[C@@H]1c1cccc(Br)c1 ZINC000152151651 551427418 /nfs/dbraw/zinc/42/74/18/551427418.db2.gz LMMSOUULVACPGY-KURKYZTESA-N 1 0 395.341 2.906 20 0 GFADRO CC(C)n1cnc(S(=O)(=O)N(CC[NH+](C)C)Cc2cccc(Cl)c2)c1 ZINC000152279571 551429889 /nfs/dbraw/zinc/42/98/89/551429889.db2.gz RMLUBQRVVQUWCR-UHFFFAOYSA-N 1 0 384.933 2.870 20 0 GFADRO Cc1cc(S(=O)(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)ccc1Br ZINC000152891972 551442418 /nfs/dbraw/zinc/44/24/18/551442418.db2.gz IFNFLYQRZFIQJO-BBRMVZONSA-N 1 0 387.343 2.862 20 0 GFADRO C[C@@H](NC(=O)N1CCC([N@H+](C)CCCO)CC1)c1ccccc1Br ZINC000152920859 551442707 /nfs/dbraw/zinc/44/27/07/551442707.db2.gz BELJVSKEFDERPG-CQSZACIVSA-N 1 0 398.345 2.998 20 0 GFADRO Cc1sc(Br)cc1S(=O)(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000152913854 551442864 /nfs/dbraw/zinc/44/28/64/551442864.db2.gz HIBZMIBOFWIBLQ-NEPJUHHUSA-N 1 0 393.372 2.924 20 0 GFADRO CSC[C@H](CCO)NC(=O)NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000152928919 551443195 /nfs/dbraw/zinc/44/31/95/551443195.db2.gz WIJVARYJZCTCSE-HOTGVXAUSA-N 1 0 385.599 2.934 20 0 GFADRO COc1ccccc1[C@@H](C[NH2+][C@@H](C)Cn1cc(Br)cn1)N(C)C ZINC000153305229 551450152 /nfs/dbraw/zinc/45/01/52/551450152.db2.gz ZXUNFRQBDUZCRZ-XJKSGUPXSA-N 1 0 381.318 2.935 20 0 GFADRO CN(CC[NH+]1CCCC1)Cc1noc(Cc2ccc(Br)cc2)n1 ZINC000153834513 551461660 /nfs/dbraw/zinc/46/16/60/551461660.db2.gz BQURIBCTUFRCBU-UHFFFAOYSA-N 1 0 379.302 2.951 20 0 GFADRO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)c1cc(=O)[nH]c2ccc(Br)cc21 ZINC000153910186 551463080 /nfs/dbraw/zinc/46/30/80/551463080.db2.gz IOFDOKKITCPDLX-INIZCTEOSA-N 1 0 392.297 2.703 20 0 GFADRO CCCn1c2ccc(S(N)(=O)=O)cc2nc1SCC[C@H]1CCC[N@@H+]1C ZINC000153943337 551463745 /nfs/dbraw/zinc/46/37/45/551463745.db2.gz CRFLRDIXIRIUSY-CYBMUJFWSA-N 1 0 382.555 2.670 20 0 GFADRO Cc1ccc(Br)c(NC(=O)C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)c1 ZINC000154341128 551472700 /nfs/dbraw/zinc/47/27/00/551472700.db2.gz PBHRTRYAZDGHPU-STQMWFEESA-N 1 0 382.302 2.685 20 0 GFADRO C[NH+](C)[C@@H]1CCN(C(=O)c2cc(I)ccc2Cl)C1 ZINC000154431716 551474989 /nfs/dbraw/zinc/47/49/89/551474989.db2.gz QLTBGGDYARMPPB-SNVBAGLBSA-N 1 0 378.641 2.721 20 0 GFADRO C[C@H](CNC(=O)c1ccc(Br)c(Cl)c1)C[NH+]1CCN(C)CC1 ZINC000154655082 551480536 /nfs/dbraw/zinc/48/05/36/551480536.db2.gz ICRQMWIXNBQTDP-GFCCVEGCSA-N 1 0 388.737 2.716 20 0 GFADRO CN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(Br)c2ccccc12 ZINC000154851907 551484208 /nfs/dbraw/zinc/48/42/08/551484208.db2.gz UTNOKJUKXUUBKA-UHFFFAOYSA-N 1 0 378.270 2.561 20 0 GFADRO O=C(C[NH2+]CC1CC1)N1CCC(C(=O)Nc2ccccc2Br)CC1 ZINC000155123698 551492326 /nfs/dbraw/zinc/49/23/26/551492326.db2.gz NGEAYRPPFBXBAJ-UHFFFAOYSA-N 1 0 394.313 2.626 20 0 GFADRO [NH3+]C1(CC(=O)NCC2(c3ccc(Br)cc3)CCOCC2)CCC1 ZINC000155148535 551492701 /nfs/dbraw/zinc/49/27/01/551492701.db2.gz XSWFSVXLXRVZLU-UHFFFAOYSA-N 1 0 381.314 2.885 20 0 GFADRO C[NH+]1CCC(N(CCO)Cc2nc(-c3cccc(Br)c3)c[nH]2)CC1 ZINC000155505028 551501443 /nfs/dbraw/zinc/50/14/43/551501443.db2.gz QCJAIHXUFDSCSD-UHFFFAOYSA-N 1 0 393.329 2.728 20 0 GFADRO COC1CC[NH+](CCNS(=O)(=O)c2ccc(Cl)c3ccccc32)CC1 ZINC000155524809 551501507 /nfs/dbraw/zinc/50/15/07/551501507.db2.gz OOXXSPXITKHWTJ-UHFFFAOYSA-N 1 0 382.913 2.882 20 0 GFADRO C[C@H](C(=O)Nc1ccc(Br)cc1)[NH+]1CCC(Cn2ccnn2)CC1 ZINC000155762987 551506939 /nfs/dbraw/zinc/50/69/39/551506939.db2.gz OKERAHBEJKIDQI-CYBMUJFWSA-N 1 0 392.301 2.780 20 0 GFADRO Cc1c(I)cccc1C(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000155868364 551510023 /nfs/dbraw/zinc/51/00/23/551510023.db2.gz JGNLOAQXKZNYJY-ZYHUDNBSSA-N 1 0 384.261 2.955 20 0 GFADRO CNS(=O)(=O)CCC[NH+]1CCC(OCc2ccc(Cl)c(Cl)c2)CC1 ZINC000156023392 551513378 /nfs/dbraw/zinc/51/33/78/551513378.db2.gz QFSUSXBFHKMGSG-UHFFFAOYSA-N 1 0 395.352 2.914 20 0 GFADRO CC[NH+]1CCN([C@H]2CCN(C(=O)c3cc(C)c(Br)cc3C)C2)CC1 ZINC000156219355 551517889 /nfs/dbraw/zinc/51/78/89/551517889.db2.gz MAULOJWBNFNSFI-INIZCTEOSA-N 1 0 394.357 2.918 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)c2cnc(Sc3nccn3C)c(Cl)c2)C1 ZINC000156342446 551520725 /nfs/dbraw/zinc/52/07/25/551520725.db2.gz QIQTYNKWJLDUOX-VXGBXAGGSA-N 1 0 379.917 2.819 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CC[NH2+]Cc1cnc2cnccn12 ZINC000156831593 551528611 /nfs/dbraw/zinc/52/86/11/551528611.db2.gz GWCQDONAIKXSDB-UHFFFAOYSA-N 1 0 388.269 2.919 20 0 GFADRO CC(=O)N1CC[C@H](C[N@H+](C)CCC(=O)Nc2ccccc2Br)C1 ZINC000156808898 551528918 /nfs/dbraw/zinc/52/89/18/551528918.db2.gz MJENMPMJVWMTMP-CQSZACIVSA-N 1 0 382.302 2.578 20 0 GFADRO O=C(CC[N@@H+](CCO)Cc1cccnc1)Nc1ccc(Br)cc1 ZINC000156881311 551530178 /nfs/dbraw/zinc/53/01/78/551530178.db2.gz SVWHNPRJOBICAL-UHFFFAOYSA-N 1 0 378.270 2.667 20 0 GFADRO C[NH2+][C@H]1CCCN(C(=O)Nc2cc(F)c(F)cc2I)C1 ZINC000415238957 563763105 /nfs/dbraw/zinc/76/31/05/563763105.db2.gz NAFLYQCUFRGEET-QMMMGPOBSA-N 1 0 395.191 2.785 20 0 GFADRO C[C@H](Cc1ccc(Br)cc1)C(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000157420549 551538134 /nfs/dbraw/zinc/53/81/34/551538134.db2.gz BAQBRSRFIZWVDA-OAHLLOKOSA-N 1 0 396.373 2.770 20 0 GFADRO Cc1cnc(CC[N@H+](C)CCC(=O)Nc2ccc(C(N)=O)c(Cl)c2)s1 ZINC000157674816 551541034 /nfs/dbraw/zinc/54/10/34/551541034.db2.gz LVTAEWCMZLXBDX-UHFFFAOYSA-N 1 0 380.901 2.707 20 0 GFADRO CCOCCO[C@H]1CC[N@H+](CCC(=O)Nc2cccc(Br)c2)C1 ZINC000157799087 551542550 /nfs/dbraw/zinc/54/25/50/551542550.db2.gz NRIWXMHXEFTDRF-INIZCTEOSA-N 1 0 385.302 2.905 20 0 GFADRO CCOCCO[C@H]1CC[N@H+](C[C@@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000157866964 551544009 /nfs/dbraw/zinc/54/40/09/551544009.db2.gz NLKPIYYVZOYSAA-CABCVRRESA-N 1 0 378.296 2.861 20 0 GFADRO CC1(C)NC(=O)N(CCC[N@H+](CCO)Cc2ccc(Cl)c(Cl)c2)C1=O ZINC000158199098 551547957 /nfs/dbraw/zinc/54/79/57/551547957.db2.gz AFFKDTQBRWZJRK-UHFFFAOYSA-N 1 0 388.295 2.508 20 0 GFADRO CC[NH+]1CCC(N(C)C(=O)c2cc(=O)[nH]c3ccc(Br)cc32)CC1 ZINC000158358998 551550553 /nfs/dbraw/zinc/55/05/53/551550553.db2.gz QYUBBJMKUCGODD-UHFFFAOYSA-N 1 0 392.297 2.847 20 0 GFADRO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NCc2cn3cc(Br)ccc3n2)C1 ZINC000158338782 551550651 /nfs/dbraw/zinc/55/06/51/551550651.db2.gz WPRGTUNUMKSATC-DOMZBBRYSA-N 1 0 394.317 2.625 20 0 GFADRO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)c1ccc(S(=O)(=O)c2ccccc2)s1 ZINC000158376479 551551026 /nfs/dbraw/zinc/55/10/26/551551026.db2.gz ZICOLPJBHJLMSC-HIFRSBDPSA-N 1 0 378.519 2.828 20 0 GFADRO [NH3+][C@@H]1CCCN(C(=O)CCCCc2ccc(I)cc2)C1 ZINC000158476444 551552361 /nfs/dbraw/zinc/55/23/61/551552361.db2.gz KSKFYEBNOYZEGR-OAHLLOKOSA-N 1 0 386.277 2.954 20 0 GFADRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)Nc2cc(Br)cn(C)c2=O)C1 ZINC000158526278 551553275 /nfs/dbraw/zinc/55/32/75/551553275.db2.gz MYNYIEDNVAUJMH-ZDUSSCGKSA-N 1 0 399.333 2.637 20 0 GFADRO C[C@@H](C[S@](C)=O)N(C)C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000158829798 551557538 /nfs/dbraw/zinc/55/75/38/551557538.db2.gz YSFMWFMWJAQYJN-ODCWNRFASA-N 1 0 383.583 2.509 20 0 GFADRO COC(=O)c1cc(Cl)ccc1S(=O)(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000158902170 551558509 /nfs/dbraw/zinc/55/85/09/551558509.db2.gz NBYOVYFPTRTDPH-CQSZACIVSA-N 1 0 388.917 2.622 20 0 GFADRO O=C(c1cc(F)c(F)cc1I)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159094879 551561035 /nfs/dbraw/zinc/56/10/35/551561035.db2.gz JBBWYUMQQLNEOP-DTORHVGOSA-N 1 0 392.187 2.536 20 0 GFADRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)c2ccc(I)cc2)C1 ZINC000161599259 551596697 /nfs/dbraw/zinc/59/66/97/551596697.db2.gz WKPDHDAKVOZLKF-CYBMUJFWSA-N 1 0 386.277 2.999 20 0 GFADRO O=S(=O)(Cc1cc(Cl)cc(Cl)c1)NCCCC[N@H+]1CCC[C@H]1CO ZINC000161701308 551597953 /nfs/dbraw/zinc/59/79/53/551597953.db2.gz HDGASNGTAFCQAZ-INIZCTEOSA-N 1 0 395.352 2.650 20 0 GFADRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)c2cc(Br)cnc2N(C)C)C1 ZINC000161878245 551599971 /nfs/dbraw/zinc/59/99/71/551599971.db2.gz XSOUQJILBZASPS-CYBMUJFWSA-N 1 0 383.334 2.618 20 0 GFADRO Cc1cc(N2CCC([NH2+][C@H](C)Cn3cc(Br)cn3)CC2)nc(C)n1 ZINC000162269999 551606082 /nfs/dbraw/zinc/60/60/82/551606082.db2.gz BVVIQJWBTOXIOC-CYBMUJFWSA-N 1 0 393.333 2.700 20 0 GFADRO NC(=O)[C@H]([NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCCC2)c1cccc(Br)c1 ZINC000162307373 551606619 /nfs/dbraw/zinc/60/66/19/551606619.db2.gz JTRSJUPMBBOSMM-FZKCQIBNSA-N 1 0 379.298 2.913 20 0 GFADRO O=C(c1ccc(C[NH+]2CCSCC2)cc1)N1CCS[C@H]2COCC[C@H]21 ZINC000162429444 551608668 /nfs/dbraw/zinc/60/86/68/551608668.db2.gz PLAGOVKTHHHSNO-MSOLQXFVSA-N 1 0 378.563 2.582 20 0 GFADRO CC(C)c1sc(NC(=O)[C@@H]([NH3+])CCS(C)(=O)=O)nc1-c1ccccc1 ZINC000162644873 551610726 /nfs/dbraw/zinc/61/07/26/551610726.db2.gz VPZJFVCYCPLQFM-ZDUSSCGKSA-N 1 0 381.523 2.634 20 0 GFADRO C[C@@H]([NH2+]C[C@H](O)COc1ccc(Cl)cc1Br)[C@H]1CCOC1 ZINC000162657375 551611039 /nfs/dbraw/zinc/61/10/39/551611039.db2.gz JLGGESJMQZAAHC-MDZLAQPJSA-N 1 0 378.694 2.857 20 0 GFADRO C[C@@H](NC(=O)C[C@H]1CCC[NH2+]1)c1nc(-c2ccc(Br)cc2)no1 ZINC000163134737 551616968 /nfs/dbraw/zinc/61/69/68/551616968.db2.gz YLUZOIAGZIRIGD-ZWNOBZJWSA-N 1 0 379.258 2.818 20 0 GFADRO [NH3+][C@@H]1CCC[C@H](NC(=O)Nc2cc(F)c(F)cc2I)C1 ZINC000415245057 563763741 /nfs/dbraw/zinc/76/37/41/563763741.db2.gz ZEFUIQQUKTTYOR-SFYZADRCSA-N 1 0 395.191 2.961 20 0 GFADRO [NH3+]C1(CC(=O)N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)CCC1 ZINC000163488669 551619947 /nfs/dbraw/zinc/61/99/47/551619947.db2.gz RXEXROIXCAXMKK-UHFFFAOYSA-N 1 0 376.810 2.674 20 0 GFADRO Cc1sc(C(=O)NC[C@H]2CCC[N@@H+](CC(C)C)C2)cc1CS(C)(=O)=O ZINC000163498716 551620295 /nfs/dbraw/zinc/62/02/95/551620295.db2.gz JVUQFMUOJXSFKY-OAHLLOKOSA-N 1 0 386.583 2.699 20 0 GFADRO C[NH+](C)C[C@H](O)COc1ccc(NC(=O)c2coc(Br)c2)cc1 ZINC000164831136 551627737 /nfs/dbraw/zinc/62/77/37/551627737.db2.gz RJEMGEHIFYCOKQ-ZDUSSCGKSA-N 1 0 383.242 2.596 20 0 GFADRO C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CC1(N(C)C)CCOCC1 ZINC000168261104 551634020 /nfs/dbraw/zinc/63/40/20/551634020.db2.gz HKNWHIYRBBOLLC-AWEZNQCLSA-N 1 0 398.345 2.867 20 0 GFADRO O=S(=O)(NCC[NH2+]Cc1ccc(OC(F)F)c(F)c1)c1cccs1 ZINC000168845354 551634810 /nfs/dbraw/zinc/63/48/10/551634810.db2.gz FTEPUKHCUHPTRE-UHFFFAOYSA-N 1 0 380.413 2.557 20 0 GFADRO C[C@@H](CCNC(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1)[S@](C)=O ZINC000169133055 551635000 /nfs/dbraw/zinc/63/50/00/551635000.db2.gz JFTUBTUMKAIVQB-ODCWNRFASA-N 1 0 383.583 2.557 20 0 GFADRO COc1ccc(Br)cc1[C@H]1CCC[N@@H+]1CCCC(=O)NC(N)=O ZINC000170646961 551636736 /nfs/dbraw/zinc/63/67/36/551636736.db2.gz SYFVSDIVQGYOMU-CYBMUJFWSA-N 1 0 384.274 2.570 20 0 GFADRO O=C(CN1CCC(C[NH+]2CCOCC2)CC1)Nc1ccc(Cl)c(Cl)c1 ZINC000170784457 551639761 /nfs/dbraw/zinc/63/97/61/551639761.db2.gz LZCRGBFVQGCLTG-UHFFFAOYSA-N 1 0 386.323 2.976 20 0 GFADRO C[C@@H](CNC(=O)CCCc1ccc(Br)s1)N1CC[NH+](C)CC1 ZINC000171136107 551647986 /nfs/dbraw/zinc/64/79/86/551647986.db2.gz YZVMCQKIDDWYOU-ZDUSSCGKSA-N 1 0 388.375 2.585 20 0 GFADRO C[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000171192064 551648902 /nfs/dbraw/zinc/64/89/02/551648902.db2.gz CFYKVJVJEOAYSH-WMLDXEAASA-N 1 0 395.345 2.669 20 0 GFADRO O=C(/C=C/c1ccc(I)o1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000171451246 551656437 /nfs/dbraw/zinc/65/64/37/551656437.db2.gz ORHCXVKDMBYTHT-FVOPLDGLSA-N 1 0 386.233 2.594 20 0 GFADRO O=S(=O)(C[C@H]1CCCO1)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000171601136 551659081 /nfs/dbraw/zinc/65/90/81/551659081.db2.gz SUHIJNSXQPBKIU-QGZVFWFLSA-N 1 0 386.945 2.650 20 0 GFADRO C[NH+](C)C[C@H]1CCN(C(=O)c2cnn(-c3cccc(Br)c3)c2)C1 ZINC000172171342 551671842 /nfs/dbraw/zinc/67/18/42/551671842.db2.gz HEXZNSUTUUJELH-CYBMUJFWSA-N 1 0 377.286 2.659 20 0 GFADRO C[C@@H]1CCC[N@H+](CC(=O)NCC(=O)Nc2ccccc2Br)[C@@H]1C ZINC000172855251 551687960 /nfs/dbraw/zinc/68/79/60/551687960.db2.gz MYZHDBDQTHSCBE-CHWSQXEVSA-N 1 0 382.302 2.624 20 0 GFADRO C[C@@H](Oc1cccc(Br)c1)C(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000173010857 551692583 /nfs/dbraw/zinc/69/25/83/551692583.db2.gz MUTPIHBDXIRHMO-QLFBSQMISA-N 1 0 399.329 2.832 20 0 GFADRO COc1c(Br)c(C)sc1C(=O)NCC(C)(C)N1CCOCC1 ZINC000173084093 551694907 /nfs/dbraw/zinc/69/49/07/551694907.db2.gz ITUKTQGLOXJDSG-UHFFFAOYSA-N 1 0 391.331 2.668 20 0 GFADRO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)Nc1cccc(Br)c1Cl ZINC000415432887 563775540 /nfs/dbraw/zinc/77/55/40/563775540.db2.gz UXWZYICBOOAFPP-VIFPVBQESA-N 1 0 376.682 2.531 20 0 GFADRO CCOc1ccc(NC(=O)N[C@H]2C[NH2+]CCC2(F)F)cc1Br ZINC000415537701 563783709 /nfs/dbraw/zinc/78/37/09/563783709.db2.gz PNYYCWLUSHZGJD-LBPRGKRZSA-N 1 0 378.217 2.967 20 0 GFADRO O=S(=O)(c1ccc(Cl)nc1Cl)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000173630831 552089384 /nfs/dbraw/zinc/08/93/84/552089384.db2.gz SYBFKNAWBOVNPJ-GFCCVEGCSA-N 1 0 378.325 2.885 20 0 GFADRO C[C@@H](NC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1)c1cc(F)c(Cl)cc1Cl ZINC000173656315 552090427 /nfs/dbraw/zinc/09/04/27/552090427.db2.gz RHKSUCKMWQDDOG-GHMZBOCLSA-N 1 0 390.286 2.720 20 0 GFADRO Cc1cc(N2CC[C@@H]([NH2+][C@@H](C)c3cccc(Br)c3)C2=O)n(C)n1 ZINC000173890435 552095153 /nfs/dbraw/zinc/09/51/53/552095153.db2.gz RPXIFTRYDLTZDG-SWLSCSKDSA-N 1 0 377.286 2.947 20 0 GFADRO Cc1cc(N2CC[C@H]([NH2+][C@@H](C)c3cccc(Br)c3)C2=O)n(C)n1 ZINC000173890423 552095353 /nfs/dbraw/zinc/09/53/53/552095353.db2.gz RPXIFTRYDLTZDG-WFASDCNBSA-N 1 0 377.286 2.947 20 0 GFADRO COCC[N@H+](C)CCCNC(=O)c1cc(Br)cc(OC(C)C)c1 ZINC000174087528 552098650 /nfs/dbraw/zinc/09/86/50/552098650.db2.gz IJGZQZBSMLNMBW-UHFFFAOYSA-N 1 0 387.318 2.934 20 0 GFADRO CC(C)(C(=O)N1CC[C@H](C[NH+]2CCOCC2)C1)c1ccc(Br)cc1 ZINC000174192904 552101815 /nfs/dbraw/zinc/10/18/15/552101815.db2.gz IQEHRSGKPIENOS-OAHLLOKOSA-N 1 0 395.341 2.907 20 0 GFADRO O=C(c1[nH]c2ccccc2c1Br)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000174210556 552102258 /nfs/dbraw/zinc/10/22/58/552102258.db2.gz WVFQIIBGJHFUTA-ZDUSSCGKSA-N 1 0 392.297 2.725 20 0 GFADRO C[C@H]1C[C@@H](N(C)C(=O)NCCOc2ccc(Br)cc2)CC[N@@H+]1C ZINC000174411334 552103442 /nfs/dbraw/zinc/10/34/42/552103442.db2.gz HSMMOIBRRRYASS-ZFWWWQNUSA-N 1 0 384.318 2.952 20 0 GFADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc(OC)c(Br)c(OC)c2)C1 ZINC000174507624 552105893 /nfs/dbraw/zinc/10/58/93/552105893.db2.gz DNKQKPJYPUASRZ-LBPRGKRZSA-N 1 0 385.302 2.880 20 0 GFADRO C[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)Nc1ccc(Br)c(F)c1 ZINC000174634049 552107201 /nfs/dbraw/zinc/10/72/01/552107201.db2.gz AYGTZCBQXHKKGA-NSHDSACASA-N 1 0 386.265 2.517 20 0 GFADRO CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)Nc1ccc(Br)c(F)c1 ZINC000174909297 552112583 /nfs/dbraw/zinc/11/25/83/552112583.db2.gz UCXMFFPUFQZLMU-LBPRGKRZSA-N 1 0 386.265 2.517 20 0 GFADRO Cc1c(Br)cccc1S(=O)(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000175230814 552118485 /nfs/dbraw/zinc/11/84/85/552118485.db2.gz VRMDTFNQBRXRMV-UHFFFAOYSA-N 1 0 387.343 2.910 20 0 GFADRO C[NH+](C)C1CCN(CCNC(=O)Nc2cc(Br)ccc2F)CC1 ZINC000175366700 552119947 /nfs/dbraw/zinc/11/99/47/552119947.db2.gz QBHOJNZPXIQDHR-UHFFFAOYSA-N 1 0 387.297 2.736 20 0 GFADRO O[C@H](COc1cc(Cl)ccc1Cl)CN1CC[NH+](C2CCOCC2)CC1 ZINC000175482924 552122932 /nfs/dbraw/zinc/12/29/32/552122932.db2.gz QHHXHVPJVSNZAM-INIZCTEOSA-N 1 0 389.323 2.530 20 0 GFADRO CN(Cc1ccc([S@@](C)=O)cc1)C(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000175546020 552124619 /nfs/dbraw/zinc/12/46/19/552124619.db2.gz ZMKZBVGCEZASEV-PUAOIOHZSA-N 1 0 379.551 2.930 20 0 GFADRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)C(=O)Nc2c(F)cccc2Br)C1 ZINC000176094502 552135518 /nfs/dbraw/zinc/13/55/18/552135518.db2.gz XKEVOUXLORHJKO-MNOVXSKESA-N 1 0 386.265 2.516 20 0 GFADRO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)Nc2nc(-c3cccs3)cs2)C1 ZINC000176089026 552135555 /nfs/dbraw/zinc/13/55/55/552135555.db2.gz YVWPQZDYILFGST-GFCCVEGCSA-N 1 0 378.523 2.753 20 0 GFADRO CCO[C@@H](CC[NH+](C)C)CNC(=O)Cc1ccc(F)c(Br)c1 ZINC000176855984 552147242 /nfs/dbraw/zinc/14/72/42/552147242.db2.gz OIPQYSIDYQNEQW-ZDUSSCGKSA-N 1 0 375.282 2.604 20 0 GFADRO Cc1cc(S(=O)(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)sc1Br ZINC000176987879 552149056 /nfs/dbraw/zinc/14/90/56/552149056.db2.gz FGHMSNIUBJJQPB-QWRGUYRKSA-N 1 0 381.361 2.970 20 0 GFADRO CC[NH+](CC)CCN(CCC(F)(F)F)Cc1cc(=O)n2ccsc2n1 ZINC000177211392 552151847 /nfs/dbraw/zinc/15/18/47/552151847.db2.gz MBJBIPVQBWWNHQ-UHFFFAOYSA-N 1 0 376.448 2.852 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)NCCOc2cccc(Br)c2)C[N@@H+]1C1CC1 ZINC000177666106 552156657 /nfs/dbraw/zinc/15/66/57/552156657.db2.gz YKGWETBGRWNCBQ-OCCSQVGLSA-N 1 0 382.302 2.752 20 0 GFADRO C[C@@H](C[NH+]1CCCCC1)NC(=O)N[C@H](CO)c1cccc(Br)c1 ZINC000177933410 552161293 /nfs/dbraw/zinc/16/12/93/552161293.db2.gz RYRLYZGETILYDA-XJKSGUPXSA-N 1 0 384.318 2.656 20 0 GFADRO O=C(N[C@H](CO)c1cccc(Br)c1)NC1CC[NH+](CC2CC2)CC1 ZINC000177971535 552161593 /nfs/dbraw/zinc/16/15/93/552161593.db2.gz YBTDUUDLDXACQC-QGZVFWFLSA-N 1 0 396.329 2.656 20 0 GFADRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)C(=O)Nc2ccc(F)c(Br)c2)C1 ZINC000178022218 552162583 /nfs/dbraw/zinc/16/25/83/552162583.db2.gz PEWPFKBIRNHJJD-JQWIXIFHSA-N 1 0 386.265 2.516 20 0 GFADRO C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000178123342 552164505 /nfs/dbraw/zinc/16/45/05/552164505.db2.gz BOVISXRWAPDUSE-KGLIPLIRSA-N 1 0 387.307 2.941 20 0 GFADRO C[C@@H]([NH2+]CC1CCN(S(C)(=O)=O)CC1)c1cccc(OC(F)(F)F)c1 ZINC000178266593 552167980 /nfs/dbraw/zinc/16/79/80/552167980.db2.gz YNWOOEJDGIDMIT-GFCCVEGCSA-N 1 0 380.432 2.907 20 0 GFADRO C[C@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1CC(=O)N(C)Cc1cc(Br)cs1 ZINC000443327166 563800893 /nfs/dbraw/zinc/80/08/93/563800893.db2.gz FMVZNYHWXOSVMV-XUJVJEKNSA-N 1 0 389.359 2.950 20 0 GFADRO C[C@H](C(=O)Nc1cc(Cl)ccc1Cl)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000178823715 552176459 /nfs/dbraw/zinc/17/64/59/552176459.db2.gz JGOOPBDUPWHYMF-KGLIPLIRSA-N 1 0 386.323 2.975 20 0 GFADRO CNC(=O)C1CC[NH+](Cc2ccnc(-c3ccc(Br)cc3)n2)CC1 ZINC000178855892 552177117 /nfs/dbraw/zinc/17/71/17/552177117.db2.gz DZKHMGDDDOLFRJ-UHFFFAOYSA-N 1 0 389.297 2.864 20 0 GFADRO CCCN(C(=O)c1cc(F)c(F)cc1I)[C@@H]1CC[NH2+]C1 ZINC000178894820 552178775 /nfs/dbraw/zinc/17/87/75/552178775.db2.gz ZWSHHERVSHWWBW-SECBINFHSA-N 1 0 394.203 2.784 20 0 GFADRO Ic1ccc2ncnc(N3CCC([NH2+]C4CC4)CC3)c2c1 ZINC000178971119 552180625 /nfs/dbraw/zinc/18/06/25/552180625.db2.gz JPTCGGUKWJICBX-UHFFFAOYSA-N 1 0 394.260 2.955 20 0 GFADRO C[NH2+]C[C@@H]1CCN(C(=O)c2cnn(-c3ccc(Br)cc3)c2C)C1 ZINC000178988668 552181277 /nfs/dbraw/zinc/18/12/77/552181277.db2.gz OBHHTYJAJOXWDB-ZDUSSCGKSA-N 1 0 377.286 2.625 20 0 GFADRO CC[NH+]1CCN(CCC(=O)NC(C)(C)c2ccccc2Br)CC1 ZINC000179002856 552181871 /nfs/dbraw/zinc/18/18/71/552181871.db2.gz FNEJQQVAPBYTFE-UHFFFAOYSA-N 1 0 382.346 2.828 20 0 GFADRO O=C(/C=C/c1ccc(Cl)s1)N1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000179034872 552182663 /nfs/dbraw/zinc/18/26/63/552182663.db2.gz FPVZVEIWZSSKRB-MTENODCZSA-N 1 0 381.929 2.522 20 0 GFADRO C[C@@H](NCc1ccc(N2CC[NH+](C)CC2)nc1)c1ncc(Br)s1 ZINC000179200199 552186574 /nfs/dbraw/zinc/18/65/74/552186574.db2.gz DUBCMRORLUUZIO-GFCCVEGCSA-N 1 0 396.358 2.903 20 0 GFADRO CCCNC(=O)CN1CCC([NH2+][C@@H](C)c2ncc(Br)s2)CC1 ZINC000179203442 552186951 /nfs/dbraw/zinc/18/69/51/552186951.db2.gz DCSMYBSQDWRWEE-NSHDSACASA-N 1 0 389.363 2.547 20 0 GFADRO OCCO[C@@H]1CCC[N@H+](Cc2cnn(-c3ccc(Br)cc3)c2)C1 ZINC000179575139 552196837 /nfs/dbraw/zinc/19/68/37/552196837.db2.gz NDOVKYSPPKTFIP-QGZVFWFLSA-N 1 0 380.286 2.608 20 0 GFADRO C[NH+](C)CC(=O)N1CCN([C@@H]2CCCc3ccc(Br)cc32)CC1 ZINC000179601903 552197795 /nfs/dbraw/zinc/19/77/95/552197795.db2.gz ATBWIGHRWLBNOY-QGZVFWFLSA-N 1 0 380.330 2.532 20 0 GFADRO CC[C@](C)(COc1ncccc1Cl)[NH2+]C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000179626545 552198425 /nfs/dbraw/zinc/19/84/25/552198425.db2.gz QUFLKBBVSFGNHY-WMLDXEAASA-N 1 0 389.949 2.544 20 0 GFADRO C[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccc(Br)c3ccccc23)C1 ZINC000179739917 552201729 /nfs/dbraw/zinc/20/17/29/552201729.db2.gz LNHPUOXYFNDSHX-GFCCVEGCSA-N 1 0 390.281 2.609 20 0 GFADRO C[C@@H]([NH2+]CC(=O)N(C)CCOc1ccc(Br)cc1)C1CCOCC1 ZINC000179840812 552204565 /nfs/dbraw/zinc/20/45/65/552204565.db2.gz VMKHOQAFABOARO-CQSZACIVSA-N 1 0 399.329 2.691 20 0 GFADRO CCC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2nc(C)c(Br)s2)C1 ZINC000180095820 552212736 /nfs/dbraw/zinc/21/27/36/552212736.db2.gz KSDKOYQLLOQJPA-NSHDSACASA-N 1 0 396.376 2.566 20 0 GFADRO C[C@@H]([NH2+]CCc1ccc(Br)cc1)c1ccc(S(N)(=O)=O)cc1 ZINC000180120955 552214012 /nfs/dbraw/zinc/21/40/12/552214012.db2.gz YNSIFTZUEFQJEN-GFCCVEGCSA-N 1 0 383.311 2.990 20 0 GFADRO CC(C)[NH2+]C1CCN(C(=O)C(=O)Nc2ccc(F)cc2Br)CC1 ZINC000180355225 552223591 /nfs/dbraw/zinc/22/35/91/552223591.db2.gz BAHIZUITLTZYBW-UHFFFAOYSA-N 1 0 386.265 2.516 20 0 GFADRO O=S(=O)(c1cccc(Cl)c1)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000180465254 552226949 /nfs/dbraw/zinc/22/69/49/552226949.db2.gz CFCOMKFGWHTBNT-UHFFFAOYSA-N 1 0 386.945 2.853 20 0 GFADRO Cc1nn(C)c(C)c1CCC[NH2+][C@H](C(N)=O)c1cccc(Br)c1 ZINC000180603819 552231282 /nfs/dbraw/zinc/23/12/82/552231282.db2.gz VKXPLYYEPGSNLG-INIZCTEOSA-N 1 0 379.302 2.548 20 0 GFADRO CCS(=O)(=O)C[C@H](C)[NH2+][C@H](C)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000180826696 552236956 /nfs/dbraw/zinc/23/69/56/552236956.db2.gz IUOJRUOETMAJOU-LSDHHAIUSA-N 1 0 387.567 2.877 20 0 GFADRO CCN(CC)S(=O)(=O)c1cc(NC(=O)[C@@]2(C)CCCC[NH2+]2)ccc1Cl ZINC000180902297 552239737 /nfs/dbraw/zinc/23/97/37/552239737.db2.gz GHEUBYWQELVYCT-QGZVFWFLSA-N 1 0 387.933 2.841 20 0 GFADRO COCCC[NH+]1CCC(NC(=O)Cc2ccc(Br)cc2C)CC1 ZINC000181411130 552255911 /nfs/dbraw/zinc/25/59/11/552255911.db2.gz RZDKPUQDPAHLOX-UHFFFAOYSA-N 1 0 383.330 2.917 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCO[C@]2(CCSC2)C1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000181452448 552257113 /nfs/dbraw/zinc/25/71/13/552257113.db2.gz UDPQRYLCPPHNQO-YXJHDRRASA-N 1 0 384.567 2.642 20 0 GFADRO COc1ccc2c(c1)[C@@H]([NH2+]CCNS(=O)(=O)c1cc(C)sc1C)CC2 ZINC000181504992 552259007 /nfs/dbraw/zinc/25/90/07/552259007.db2.gz QBCHLZOCYORVBO-KRWDZBQOSA-N 1 0 380.535 2.929 20 0 GFADRO Cc1cc(Br)ccc1CC(=O)N(CC[NH+](C)C)C[C@H]1CCCO1 ZINC000181587004 552262055 /nfs/dbraw/zinc/26/20/55/552262055.db2.gz VMCBKZSLOHJLNO-QGZVFWFLSA-N 1 0 383.330 2.869 20 0 GFADRO COc1ccc([C@H](C)[C@@H](C)[NH2+]C[C@H](O)CS(=O)(=O)c2cccs2)cc1 ZINC000181634546 552263228 /nfs/dbraw/zinc/26/32/28/552263228.db2.gz BOCGGJLNQKMBLR-FMKPAKJESA-N 1 0 383.535 2.673 20 0 GFADRO COc1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@H](O)CS(=O)(=O)c1cccs1 ZINC000181635355 552263493 /nfs/dbraw/zinc/26/34/93/552263493.db2.gz UPMROXXUONJELT-YOEHRIQHSA-N 1 0 381.519 2.559 20 0 GFADRO CC[C@H]([NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1)c1cccc(Br)c1 ZINC000181683190 552265537 /nfs/dbraw/zinc/26/55/37/552265537.db2.gz LJFIRYPKXPYGAP-WFASDCNBSA-N 1 0 375.332 2.771 20 0 GFADRO Cc1c([C@H](C)[NH2+]CC2CCS(=O)(=O)CC2)nnn1-c1ccc(Cl)cc1 ZINC000181758826 552266870 /nfs/dbraw/zinc/26/68/70/552266870.db2.gz GURVVWXQBVIOHE-LBPRGKRZSA-N 1 0 382.917 2.705 20 0 GFADRO C[C@@H]([NH2+][C@H](CC(N)=O)C1CCOCC1)C(=O)Nc1cc(Cl)ccc1Cl ZINC000181947297 552271589 /nfs/dbraw/zinc/27/15/89/552271589.db2.gz JFPSXKAOSWOFBW-QMTHXVAHSA-N 1 0 388.295 2.581 20 0 GFADRO CN(C)C(=O)CC1CC[NH+](CCC(=O)Nc2ccc(Br)cc2)CC1 ZINC000182185603 552277657 /nfs/dbraw/zinc/27/76/57/552277657.db2.gz JRARSKLXENYFBO-UHFFFAOYSA-N 1 0 396.329 2.968 20 0 GFADRO CCOC(=O)COc1c(Br)cc(C)cc1C[NH2+][C@H](C)[C@@H](C)CO ZINC000182280141 552280322 /nfs/dbraw/zinc/28/03/22/552280322.db2.gz HTPZFKPRXYFEMM-QWHCGFSZSA-N 1 0 388.302 2.806 20 0 GFADRO COc1ccc([C@@H](CCO)[NH2+]CC(=O)Nc2ccc(Br)cn2)cc1 ZINC000182386168 552282528 /nfs/dbraw/zinc/28/25/28/552282528.db2.gz ZJGGCJBMVZBQFO-OAHLLOKOSA-N 1 0 394.269 2.505 20 0 GFADRO COCC[NH+]1CCC(NC(=O)CCc2cc(F)ccc2Br)CC1 ZINC000182388442 552282728 /nfs/dbraw/zinc/28/27/28/552282728.db2.gz RLUHBCIREMBQNX-UHFFFAOYSA-N 1 0 387.293 2.748 20 0 GFADRO C[C@@H]([NH2+][C@H](C)c1ccc(Cl)s1)C(=O)N1CCN(c2ncccn2)CC1 ZINC000182964593 552297216 /nfs/dbraw/zinc/29/72/16/552297216.db2.gz KWYRYCXDUOXGIC-CHWSQXEVSA-N 1 0 379.917 2.579 20 0 GFADRO CC[C@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1)c1cccc(S(N)(=O)=O)c1 ZINC000183008570 552298503 /nfs/dbraw/zinc/29/85/03/552298503.db2.gz DFHURBBUKOXMAU-INIZCTEOSA-N 1 0 381.885 2.667 20 0 GFADRO C[C@H]1CCCN(S(=O)(=O)c2ccc(Br)c(Cl)c2)[C@@H]1C[NH3+] ZINC000183176225 552302248 /nfs/dbraw/zinc/30/22/48/552302248.db2.gz DGZJXVGDRJOLHZ-TVQRCGJNSA-N 1 0 381.723 2.850 20 0 GFADRO CS(=O)(=O)[C@H]1CCCC[C@H]1[NH2+]CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000183235220 552303689 /nfs/dbraw/zinc/30/36/89/552303689.db2.gz GFWDTFFHSNAOJB-CABCVRRESA-N 1 0 383.901 2.878 20 0 GFADRO C[C@H](CS(=O)(=O)c1ccccc1)[NH2+]C[C@H](C)N1CCc2sccc2C1 ZINC000183259283 552304334 /nfs/dbraw/zinc/30/43/34/552304334.db2.gz IZRLXISFWROOIO-CVEARBPZSA-N 1 0 378.563 2.947 20 0 GFADRO O=C(NCc1ccccc1C[N@H+]1CC[C@H](O)C1)c1cccc(Br)c1 ZINC000183394833 552307956 /nfs/dbraw/zinc/30/79/56/552307956.db2.gz GHUJRSLNKPNHGY-SFHVURJKSA-N 1 0 389.293 2.946 20 0 GFADRO COC[C@@H]([NH2+]CC(=O)Nc1ccc(I)cc1C)C1CC1 ZINC000183447193 552309915 /nfs/dbraw/zinc/30/99/15/552309915.db2.gz PZMUUEMPJVPVIB-CQSZACIVSA-N 1 0 388.249 2.553 20 0 GFADRO C[NH+](C)[C@@H]1CCCN(C(=O)c2ncc(Br)cc2Br)C1 ZINC000183513466 552311792 /nfs/dbraw/zinc/31/17/92/552311792.db2.gz DOHFJTLBGNNOLJ-SNVBAGLBSA-N 1 0 391.107 2.773 20 0 GFADRO COC(=O)[C@H](c1cccc(Cl)c1Cl)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000183601641 552314683 /nfs/dbraw/zinc/31/46/83/552314683.db2.gz DXMROAIUVOSPKQ-GUYCJALGSA-N 1 0 387.307 2.862 20 0 GFADRO CN(C)c1cc[nH+]cc1C(=O)NC[C@@H](O)COc1cccc(Cl)c1Cl ZINC000183921706 552323004 /nfs/dbraw/zinc/32/30/04/552323004.db2.gz ITBLYUKXHVVWPZ-LLVKDONJSA-N 1 0 384.263 2.624 20 0 GFADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)/C=C/c1ccncn1 ZINC000183965878 552324602 /nfs/dbraw/zinc/32/46/02/552324602.db2.gz VSJCSNAPNBJFOG-BQYQJAHWSA-N 1 0 389.297 2.843 20 0 GFADRO COc1cc(C[NH2+]C[C@H](C)c2nc(C)cs2)cc(Cl)c1OCC(N)=O ZINC000184111389 552327305 /nfs/dbraw/zinc/32/73/05/552327305.db2.gz IXXOTCBDPAAXAA-JTQLQIEISA-N 1 0 383.901 2.871 20 0 GFADRO O[C@@H](COc1c(Cl)cccc1Cl)C[N@@H+]1CCOCC2(CCOCC2)C1 ZINC000184080847 552327310 /nfs/dbraw/zinc/32/73/10/552327310.db2.gz FBXVFPVQSDXWGP-CQSZACIVSA-N 1 0 390.307 2.862 20 0 GFADRO CN1CC[NH+](CCC(C)(C)NC(=O)c2cc(Br)ccc2F)CC1 ZINC000184203442 552329862 /nfs/dbraw/zinc/32/98/62/552329862.db2.gz HMIKMLMUDKYKFI-UHFFFAOYSA-N 1 0 386.309 2.734 20 0 GFADRO CC(C)n1cc(Br)cc1C(=O)N[C@H](C)CC[NH+]1CCN(C)CC1 ZINC000184368089 552334006 /nfs/dbraw/zinc/33/40/06/552334006.db2.gz YFJSYCDEBYVDJE-CQSZACIVSA-N 1 0 385.350 2.587 20 0 GFADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)c1ccc(Cl)cc1Br ZINC000184411682 552335164 /nfs/dbraw/zinc/33/51/64/552335164.db2.gz UNPWSAZLWZZCMN-LBPRGKRZSA-N 1 0 388.737 2.858 20 0 GFADRO Cc1cc(Br)c(F)cc1NC(=O)NCC1CC[NH+](CCO)CC1 ZINC000184851218 552345829 /nfs/dbraw/zinc/34/58/29/552345829.db2.gz HSQPLNJNMCSIFT-UHFFFAOYSA-N 1 0 388.281 2.722 20 0 GFADRO [NH3+][C@H]1CC[C@@H]2CN(C(=O)c3ccc(I)c(Cl)c3)C[C@@H]12 ZINC000185095591 552354023 /nfs/dbraw/zinc/35/40/23/552354023.db2.gz IUNBLQQAHKJOCR-BREBYQMCSA-N 1 0 390.652 2.754 20 0 GFADRO C[NH+](C)CC1(CNC(=O)N[C@@H](CO)c2cccc(Br)c2)CCCC1 ZINC000185171687 552356499 /nfs/dbraw/zinc/35/64/99/552356499.db2.gz JQXSLMHQPCBYAD-INIZCTEOSA-N 1 0 398.345 2.904 20 0 GFADRO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]C[C@@](C)(O)c2cccc(Cl)c2)c1 ZINC000185314931 552360857 /nfs/dbraw/zinc/36/08/57/552360857.db2.gz BLWXHQCGZFKBEX-FZKQIMNGSA-N 1 0 382.913 2.806 20 0 GFADRO CC[C@H]([NH2+]C[C@H]1CCCN(S(C)(=O)=O)C1)c1nc(C(F)(F)F)cs1 ZINC000185923681 552373971 /nfs/dbraw/zinc/37/39/71/552373971.db2.gz DMZQPPRFOGXNBH-MNOVXSKESA-N 1 0 385.477 2.874 20 0 GFADRO C[NH+](C)CC1(CNC(=O)CCS(=O)(=O)c2ccc(Cl)cc2)CCCC1 ZINC000186190452 552381868 /nfs/dbraw/zinc/38/18/68/552381868.db2.gz VWMIQAYKWIGASX-UHFFFAOYSA-N 1 0 386.945 2.742 20 0 GFADRO CC(C)(CC(N)=O)[NH2+]Cc1coc(-c2ccc(I)cc2)n1 ZINC000186246212 552382583 /nfs/dbraw/zinc/38/25/83/552382583.db2.gz OGPIERNAUXYAQF-UHFFFAOYSA-N 1 0 399.232 2.690 20 0 GFADRO CN(CCC[NH+](C)C)C(=O)Nc1cc(F)c(F)cc1I ZINC000186294455 552384238 /nfs/dbraw/zinc/38/42/38/552384238.db2.gz MTVDGMAUQQTJBM-UHFFFAOYSA-N 1 0 397.207 2.985 20 0 GFADRO C[C@@H](NC(=O)c1c[nH]c(=O)c(Br)c1)[C@@H](c1ccccc1)[NH+](C)C ZINC000186483393 552388760 /nfs/dbraw/zinc/38/87/60/552388760.db2.gz MWEPWZZYKRUKJE-ABAIWWIYSA-N 1 0 378.270 2.559 20 0 GFADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N(C)Cc1ccccc1Cl ZINC000186602917 552391814 /nfs/dbraw/zinc/39/18/14/552391814.db2.gz KEYNKMWEMGSMGQ-UHFFFAOYSA-N 1 0 384.933 2.536 20 0 GFADRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)c1cc(Cl)ccc1I ZINC000186662172 552394254 /nfs/dbraw/zinc/39/42/54/552394254.db2.gz PJZMSQSCTXVWCD-QPUJVOFHSA-N 1 0 378.641 2.672 20 0 GFADRO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000186761643 552397074 /nfs/dbraw/zinc/39/70/74/552397074.db2.gz XCMQSDJKLKZHRM-RNCFNFMXSA-N 1 0 379.254 2.592 20 0 GFADRO CCn1c(SCC(=O)N(C)CC[N@H+](C)C2CC2)nnc1-c1cccs1 ZINC000186782496 552397770 /nfs/dbraw/zinc/39/77/70/552397770.db2.gz ASQRIPMKHQTKEY-UHFFFAOYSA-N 1 0 379.555 2.671 20 0 GFADRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)CCc1nc(-c2cc(Br)cs2)no1 ZINC000186789481 552398333 /nfs/dbraw/zinc/39/83/33/552398333.db2.gz UFVZSPZWBSZVJM-GXSJLCMTSA-N 1 0 399.314 2.607 20 0 GFADRO COc1cc(Br)ccc1CNC(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000187109732 552406419 /nfs/dbraw/zinc/40/64/19/552406419.db2.gz KXKKJZKSJAHZPC-RISCZKNCSA-N 1 0 382.302 2.882 20 0 GFADRO CC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2cc(C)cc(Br)c2)C1 ZINC000187385975 552414443 /nfs/dbraw/zinc/41/44/43/552414443.db2.gz NADCLSOXMQWJIE-ZDUSSCGKSA-N 1 0 375.332 2.720 20 0 GFADRO CC[C@@H](CO)[NH+]1CCN(C(=O)Nc2cc(Br)c(C)cc2C)CC1 ZINC000187538719 552418268 /nfs/dbraw/zinc/41/82/68/552418268.db2.gz VOKKGBIAKQRUBK-AWEZNQCLSA-N 1 0 384.318 2.986 20 0 GFADRO CO[C@@H]1C[NH2+][C@@H](C(=O)N2CCC(COc3cc(Cl)cc(Cl)c3)CC2)C1 ZINC000187843161 552426000 /nfs/dbraw/zinc/42/60/00/552426000.db2.gz MSMSSDNWLOVJFQ-DLBZAZTESA-N 1 0 387.307 2.988 20 0 GFADRO Cc1ccc(CC(=O)NC[C@@H](C(C)C)N2CCOCC2)cc1Br ZINC000188094287 552434583 /nfs/dbraw/zinc/43/45/83/552434583.db2.gz FESOOKBYBXBFLV-KRWDZBQOSA-N 1 0 383.330 2.773 20 0 GFADRO O=C(Cc1ccc(F)cc1Br)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000188157877 552437235 /nfs/dbraw/zinc/43/72/35/552437235.db2.gz GRYYGSYDPNCQNE-AWEZNQCLSA-N 1 0 399.304 2.702 20 0 GFADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc(Br)c(C)nc2OC)C1 ZINC000188179686 552438140 /nfs/dbraw/zinc/43/81/40/552438140.db2.gz HHEYTBQVCANMAM-ZDUSSCGKSA-N 1 0 384.318 2.965 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000188245652 552440310 /nfs/dbraw/zinc/44/03/10/552440310.db2.gz UHQCJGRCARBPMV-UHFFFAOYSA-N 1 0 396.329 2.947 20 0 GFADRO CC(=O)N(c1nnc(SCCCN2CC[NH+](C(C)C)CC2)s1)C1CC1 ZINC000188290406 552441490 /nfs/dbraw/zinc/44/14/90/552441490.db2.gz ZSCRDRPBWWCMOE-UHFFFAOYSA-N 1 0 383.587 2.562 20 0 GFADRO CCN(CCC[NH+](C)C)C(=O)c1ccc(S(=O)(=O)c2ccccc2)s1 ZINC000188928236 552458491 /nfs/dbraw/zinc/45/84/91/552458491.db2.gz WPZQEPFXRDWUBP-UHFFFAOYSA-N 1 0 380.535 2.995 20 0 GFADRO CCCN1CCCN(C[C@@H](O)COc2c(Cl)cccc2Cl)CC1=O ZINC000189421811 552471008 /nfs/dbraw/zinc/47/10/08/552471008.db2.gz JKHKANYILIBOFE-CYBMUJFWSA-N 1 0 375.296 2.677 20 0 GFADRO CS(=O)(=O)NCC[NH2+]Cc1ccc(Oc2cccc(Br)c2)cc1 ZINC000190225744 552490642 /nfs/dbraw/zinc/49/06/42/552490642.db2.gz VFQPLMYFFMBBKO-UHFFFAOYSA-N 1 0 399.310 2.880 20 0 GFADRO CCC[N@H+](CC)CCNC(=O)C(=O)Nc1cc(C)c(Br)c(C)c1 ZINC000190576790 552501852 /nfs/dbraw/zinc/50/18/52/552501852.db2.gz ZQMRRAIPGOHDSC-UHFFFAOYSA-N 1 0 384.318 2.853 20 0 GFADRO CS(=O)(=O)CCOCC[NH2+][C@@H](c1ccc(Br)s1)C1CC1 ZINC000190637997 552504550 /nfs/dbraw/zinc/50/45/50/552504550.db2.gz AMLMTPHSPPJCPN-CYBMUJFWSA-N 1 0 382.345 2.613 20 0 GFADRO CCN(CCC[NH+](C)C)S(=O)(=O)c1c2ccccc2sc1C(=O)OC ZINC000190857129 552511126 /nfs/dbraw/zinc/51/11/26/552511126.db2.gz AGKQQCRIMSFPNA-UHFFFAOYSA-N 1 0 384.523 2.650 20 0 GFADRO CCS(=O)(=O)NCCC[NH2+]Cc1cc(Br)c(Cl)s1 ZINC000190911271 552513507 /nfs/dbraw/zinc/51/35/07/552513507.db2.gz GXULUSHUSNPVRC-UHFFFAOYSA-N 1 0 375.741 2.583 20 0 GFADRO Cc1cc(F)c(Br)cc1NC(=O)N1CC[N@@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000190942676 552513950 /nfs/dbraw/zinc/51/39/50/552513950.db2.gz DOJFBCARFMOTEU-NWDGAFQWSA-N 1 0 388.281 2.815 20 0 GFADRO COc1cc(C[NH2+][C@@H]2CC[C@H](OC)C2)cc(I)c1OC ZINC000190949601 552514463 /nfs/dbraw/zinc/51/44/63/552514463.db2.gz CRIBQBORDOSLPJ-NEPJUHHUSA-N 1 0 391.249 2.966 20 0 GFADRO C[C@H](NC(=O)C[N@H+](C)C1(CO)CCOCC1)c1ccc(Cl)c(Cl)c1 ZINC000190993431 552515968 /nfs/dbraw/zinc/51/59/68/552515968.db2.gz UZNXBSQAOLFQKJ-LBPRGKRZSA-N 1 0 375.296 2.644 20 0 GFADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)C1(c2ccccc2Br)CC1 ZINC000191092565 552518570 /nfs/dbraw/zinc/51/85/70/552518570.db2.gz UTXAEHXACXBVCN-AWEZNQCLSA-N 1 0 381.314 2.708 20 0 GFADRO COCC[N@@H+](Cc1cccnc1)C[C@H](O)COc1ccc(Br)cc1 ZINC000191113639 552518978 /nfs/dbraw/zinc/51/89/78/552518978.db2.gz JLRJNYGWKBRGFS-KRWDZBQOSA-N 1 0 395.297 2.732 20 0 GFADRO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1cc(F)cc(F)c1Br ZINC000191201610 552521458 /nfs/dbraw/zinc/52/14/58/552521458.db2.gz IHCULAQIOYJCTE-VIFPVBQESA-N 1 0 392.244 2.512 20 0 GFADRO Cc1c([C@H](C)[NH2+]CCN(C)S(=O)(=O)c2cccs2)cnn1C(C)(C)C ZINC000191385945 552526644 /nfs/dbraw/zinc/52/66/44/552526644.db2.gz MAIHWWRJINRUST-ZDUSSCGKSA-N 1 0 384.571 2.979 20 0 GFADRO COCCN(CCCN1CCOCC1)Cc1sccc1Br ZINC000191431187 552527933 /nfs/dbraw/zinc/52/79/33/552527933.db2.gz HFWBQRMPZDEJAG-UHFFFAOYSA-N 1 0 377.348 2.681 20 0 GFADRO CCn1nccc1N1CCC[C@@H]([NH2+]Cc2ccc(Br)cc2)C1=O ZINC000191640681 552533916 /nfs/dbraw/zinc/53/39/16/552533916.db2.gz NPUUJVCLIKYDHS-OAHLLOKOSA-N 1 0 377.286 2.951 20 0 GFADRO CO[C@@H]1C[NH2+][C@@H](C(=O)Nc2nc(-c3cccc(Br)c3)cs2)C1 ZINC000191872349 552541018 /nfs/dbraw/zinc/54/10/18/552541018.db2.gz KYGUTTORQFPOLE-NWDGAFQWSA-N 1 0 382.283 2.888 20 0 GFADRO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1cc(Br)c(F)cc1C ZINC000191969335 552544307 /nfs/dbraw/zinc/54/43/07/552544307.db2.gz FBFIMZFGGIWURD-LLVKDONJSA-N 1 0 388.281 2.682 20 0 GFADRO CN1CCC([NH+]2CCC(NC(=O)c3cccc(Br)c3F)CC2)CC1 ZINC000192000847 552545387 /nfs/dbraw/zinc/54/53/87/552545387.db2.gz FQBPJWDSJNTDHV-UHFFFAOYSA-N 1 0 398.320 2.877 20 0 GFADRO Cn1nc(Br)cc1C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000192047008 552547182 /nfs/dbraw/zinc/54/71/82/552547182.db2.gz RUIRJONDKFVTDL-UHFFFAOYSA-N 1 0 377.286 2.708 20 0 GFADRO C[C@H]([NH3+])[C@H](C)C(=O)Nc1cc(Cl)c(NC(=O)c2cnccn2)c(Cl)c1 ZINC000192056265 552548214 /nfs/dbraw/zinc/54/82/14/552548214.db2.gz LFUYBOLERHMBLV-IUCAKERBSA-N 1 0 382.251 2.958 20 0 GFADRO O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)c1cccc(Br)c1F ZINC000192125574 552551859 /nfs/dbraw/zinc/55/18/59/552551859.db2.gz QZYALEPEVXWNMX-GFCCVEGCSA-N 1 0 385.277 2.819 20 0 GFADRO C[NH+]1CCN(CCNC(=O)C2(c3cccc(Br)c3)CCCC2)CC1 ZINC000192580216 552567238 /nfs/dbraw/zinc/56/72/38/552567238.db2.gz PRKHJNIVCGVLBF-UHFFFAOYSA-N 1 0 394.357 2.625 20 0 GFADRO CC[NH+](CC)[C@@H](CNC(=O)C(=O)Nc1ccc(Br)cn1)CC(C)C ZINC000192904762 552977215 /nfs/dbraw/zinc/97/72/15/552977215.db2.gz PHEKOPDDZLICRD-CQSZACIVSA-N 1 0 399.333 2.655 20 0 GFADRO CC(=O)Nc1cc(F)c(S(=O)(=O)N[C@@]2(C[NH3+])CCCC[C@H]2C)cc1Cl ZINC000193039491 552981351 /nfs/dbraw/zinc/98/13/51/552981351.db2.gz VQURRBXXNSGECQ-QLJPJBMISA-N 1 0 391.896 2.623 20 0 GFADRO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000193286900 552989061 /nfs/dbraw/zinc/98/90/61/552989061.db2.gz HJURAQCUVFLCEJ-VNHYZAJKSA-N 1 0 390.933 2.502 20 0 GFADRO COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000193321827 552990019 /nfs/dbraw/zinc/99/00/19/552990019.db2.gz TYQHGRHGYKHBPZ-DOMZBBRYSA-N 1 0 390.933 2.550 20 0 GFADRO C[C@H]1CC[NH2+]C[C@H]1NS(=O)(=O)c1cc(Cl)c(Br)cc1F ZINC000193411139 552992100 /nfs/dbraw/zinc/99/21/00/552992100.db2.gz RHLBXJFOXSFIFV-WRWORJQWSA-N 1 0 385.686 2.518 20 0 GFADRO C[C@@H]1CC[NH2+]C[C@@H]1NS(=O)(=O)c1cc(Cl)c(Br)cc1F ZINC000193411107 552992166 /nfs/dbraw/zinc/99/21/66/552992166.db2.gz RHLBXJFOXSFIFV-HQJQHLMTSA-N 1 0 385.686 2.518 20 0 GFADRO Cc1c(Br)cccc1S(=O)(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000193431588 552992917 /nfs/dbraw/zinc/99/29/17/552992917.db2.gz RMLHECXECKVIJR-UHFFFAOYSA-N 1 0 381.295 2.839 20 0 GFADRO O=S(=O)(c1ccc(Cl)s1)N1CCN(CCC[NH+]2CCCCC2)CC1 ZINC000193465558 552994047 /nfs/dbraw/zinc/99/40/47/552994047.db2.gz FFVJZYYTGSACRQ-UHFFFAOYSA-N 1 0 391.990 2.584 20 0 GFADRO C[NH+](C)CCN(Cc1ccco1)C(=O)[C@@H]1Cc2cc(Br)ccc2O1 ZINC000193588356 552997543 /nfs/dbraw/zinc/99/75/43/552997543.db2.gz GGBLPSRHMGSFLQ-KRWDZBQOSA-N 1 0 393.281 2.936 20 0 GFADRO CC[NH+](CC)CCCNC(=O)C1CCN(c2ccc(Br)cn2)CC1 ZINC000193782037 553003172 /nfs/dbraw/zinc/00/31/72/553003172.db2.gz IJZHBHNHTDYSBZ-UHFFFAOYSA-N 1 0 397.361 2.909 20 0 GFADRO CN(Cc1c(F)cccc1Cl)S(=O)(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000194378453 553019270 /nfs/dbraw/zinc/01/92/70/553019270.db2.gz YJZVAVMPKVIEQS-UHFFFAOYSA-N 1 0 391.940 2.819 20 0 GFADRO C[C@]([NH3+])(C(=O)NC[C@H](O)COc1cccc(Cl)c1Cl)c1ccccc1 ZINC000195258364 553042939 /nfs/dbraw/zinc/04/29/39/553042939.db2.gz IXSJQLZHOGYART-SCLBCKFNSA-N 1 0 383.275 2.723 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)c2cc(Cl)ccc2I)CC[NH2+]1 ZINC000219250738 553054621 /nfs/dbraw/zinc/05/46/21/553054621.db2.gz TWIVHBVBJLUHQG-SCZZXKLOSA-N 1 0 378.641 2.815 20 0 GFADRO CO[C@H]1CCN(CCOc2ccc(Cl)cc2Br)[C@@H](C[NH3+])C1 ZINC000226419442 553061543 /nfs/dbraw/zinc/06/15/43/553061543.db2.gz GNXYSIHDHPGGNH-OLZOCXBDSA-N 1 0 377.710 2.919 20 0 GFADRO C[NH+]1CCC(CNC(=O)c2ccc(F)cc2I)CC1 ZINC000227058783 553062614 /nfs/dbraw/zinc/06/26/14/553062614.db2.gz RTPVEUFPXLZUMF-UHFFFAOYSA-N 1 0 376.213 2.502 20 0 GFADRO C[N@H+](CCNS(=O)(=O)c1ccc(Br)c(F)c1)C1CCCC1 ZINC000230609271 553065014 /nfs/dbraw/zinc/06/50/14/553065014.db2.gz WQNAUBAAYVYISN-UHFFFAOYSA-N 1 0 379.295 2.741 20 0 GFADRO CC1(C)CCC[NH2+][C@H]1CNC(=O)c1ccc(F)cc1I ZINC000232976736 553067130 /nfs/dbraw/zinc/06/71/30/553067130.db2.gz VFWIALMUHNRCQR-ZDUSSCGKSA-N 1 0 390.240 2.938 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1ccc(Cl)c(Br)c1 ZINC000233482231 553067169 /nfs/dbraw/zinc/06/71/69/553067169.db2.gz KKSFXJAMIDUFDB-SNVBAGLBSA-N 1 0 381.723 2.865 20 0 GFADRO CC[C@H]1C[N@H+](C)CCCN1S(=O)(=O)c1ccc(Br)c(F)c1 ZINC000234109881 553067295 /nfs/dbraw/zinc/06/72/95/553067295.db2.gz NKVOGLORWWDNST-NSHDSACASA-N 1 0 379.295 2.693 20 0 GFADRO CC[C@H]1C[N@H+](C)CCCN1C(=O)c1cc(I)ccc1O ZINC000234053668 553067510 /nfs/dbraw/zinc/06/75/10/553067510.db2.gz AFMZYCQPUFVFET-LBPRGKRZSA-N 1 0 388.249 2.553 20 0 GFADRO O=C([C@@H]1CC12CC[NH2+]CC2)N1CCN(Cc2ccc(Br)s2)CC1 ZINC000236603170 553069560 /nfs/dbraw/zinc/06/95/60/553069560.db2.gz IMUMBUJYHXKVBW-AWEZNQCLSA-N 1 0 398.370 2.545 20 0 GFADRO CC(=O)N1CCC([NH2+]C[C@@H]2CCN(c3cccc(Br)c3)C2)CC1 ZINC000236608519 553069801 /nfs/dbraw/zinc/06/98/01/553069801.db2.gz CPTYMUJFRGKXJZ-HNNXBMFYSA-N 1 0 380.330 2.876 20 0 GFADRO CC(C)C[C@H](C[NH3+])NC(=O)c1cc(F)c(F)cc1I ZINC000236599227 553069921 /nfs/dbraw/zinc/06/99/21/553069921.db2.gz JEGZCTZYSLQMEB-MRVPVSSYSA-N 1 0 382.192 2.673 20 0 GFADRO CC(=O)NCc1ccc(-c2nc(NC(=O)C[NH2+]CC3CC3)sc2C)s1 ZINC000236677501 553070291 /nfs/dbraw/zinc/07/02/91/553070291.db2.gz LLJZGQHWARUFSY-UHFFFAOYSA-N 1 0 378.523 2.754 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000236829057 553071612 /nfs/dbraw/zinc/07/16/12/553071612.db2.gz TWUUWGNZMHWHPB-HUUCEWRRSA-N 1 0 384.567 2.609 20 0 GFADRO CCOc1cc(Br)c(CC(=O)NC[C@@H]2CCC[NH2+]C2)cc1OCC ZINC000236879496 553072882 /nfs/dbraw/zinc/07/28/82/553072882.db2.gz UPDQYVHDNZQDQY-CYBMUJFWSA-N 1 0 399.329 2.905 20 0 GFADRO CC[NH2+]CC1CCN(S(=O)(=O)Cc2ccc(Br)cc2)CC1 ZINC000237046724 553073895 /nfs/dbraw/zinc/07/38/95/553073895.db2.gz OKUMQWGGDMLCDW-UHFFFAOYSA-N 1 0 375.332 2.600 20 0 GFADRO COC(=O)C[C@@H](NC(=O)[C@H]1CC12CC[NH2+]CC2)c1cccc(Br)c1 ZINC000237211558 553076083 /nfs/dbraw/zinc/07/60/83/553076083.db2.gz OTWCXPQDFXSGNX-HUUCEWRRSA-N 1 0 395.297 2.559 20 0 GFADRO C[NH2+]C[C@H](C)CNS(=O)(=O)c1ccc(Br)cc1C(F)(F)F ZINC000237208661 553076139 /nfs/dbraw/zinc/07/61/39/553076139.db2.gz BPKDVVBHWMCYKG-QMMMGPOBSA-N 1 0 389.237 2.602 20 0 GFADRO C[NH2+]CCN(C)C(=O)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000237265316 553076806 /nfs/dbraw/zinc/07/68/06/553076806.db2.gz KGILUXSXICKHSO-UHFFFAOYSA-N 1 0 378.826 2.648 20 0 GFADRO C[NH2+]C[C@H]1CCCN(C(=O)[C@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)C1 ZINC000237341760 553077110 /nfs/dbraw/zinc/07/71/10/553077110.db2.gz BAHBQLRPMLBHQV-TZMCWYRMSA-N 1 0 384.307 2.804 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)/C=C/c2cc(Br)c3c(c2)OCCO3)C1 ZINC000237352009 553077287 /nfs/dbraw/zinc/07/72/87/553077287.db2.gz RIDLCCLLTQAKIW-JUGZCIIYSA-N 1 0 395.297 2.819 20 0 GFADRO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CCNC(=O)c1ccco1 ZINC000237422553 553077684 /nfs/dbraw/zinc/07/76/84/553077684.db2.gz JQXLNSMZIUMTSE-GFCCVEGCSA-N 1 0 394.269 2.779 20 0 GFADRO C[C@H]1C[C@@H]([NH3+])CCN1C(=O)c1nn(-c2ccc(F)cc2)cc1Br ZINC000237530269 553078913 /nfs/dbraw/zinc/07/89/13/553078913.db2.gz DDOSEHKPCQFZOR-JQWIXIFHSA-N 1 0 381.249 2.726 20 0 GFADRO [NH3+]C[C@@H](NC(=O)c1cc(Br)c2c(c1)OCCO2)C1CCCCC1 ZINC000237787863 553081778 /nfs/dbraw/zinc/08/17/78/553081778.db2.gz OZMLGYBQBLAYLK-CQSZACIVSA-N 1 0 383.286 2.858 20 0 GFADRO [NH3+]C1(CNC(=O)c2ccc(S(=O)(=O)c3ccccc3)s2)CCCCC1 ZINC000237776686 553081917 /nfs/dbraw/zinc/08/19/17/553081917.db2.gz KGHUZJCQESCMOP-UHFFFAOYSA-N 1 0 378.519 2.972 20 0 GFADRO Cc1cc(NC(=O)C[C@H]2CSCC[NH2+]2)n(-c2cccc(Br)c2)n1 ZINC000237807590 553082107 /nfs/dbraw/zinc/08/21/07/553082107.db2.gz PTRCDZHNKGBPRD-ZDUSSCGKSA-N 1 0 395.326 2.977 20 0 GFADRO Cc1c(C(=O)NC[C@H]2CCCC[NH2+]2)cnn1-c1ccc(Br)cc1 ZINC000237809477 553082261 /nfs/dbraw/zinc/08/22/61/553082261.db2.gz ZVAOBKGZHHJPER-CQSZACIVSA-N 1 0 377.286 2.815 20 0 GFADRO [NH3+]C[C@H](C(=O)NC[C@@H](O)COc1cccc(Cl)c1Cl)c1ccccc1 ZINC000237820934 553082476 /nfs/dbraw/zinc/08/24/76/553082476.db2.gz BLUORFHFOZVJLE-KGLIPLIRSA-N 1 0 383.275 2.592 20 0 GFADRO [NH3+][C@H]1CC[C@H](C(=O)N2CCC(C(=O)Nc3ccccc3Br)CC2)C1 ZINC000237886937 553083202 /nfs/dbraw/zinc/08/32/02/553083202.db2.gz DCWZVRKNVFUAFZ-KBPBESRZSA-N 1 0 394.313 2.754 20 0 GFADRO [NH3+]C[C@H]1CCCN(C(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)C1 ZINC000237873399 553083594 /nfs/dbraw/zinc/08/35/94/553083594.db2.gz LHONAZIXYKWPFI-WBMJQRKESA-N 1 0 384.307 2.795 20 0 GFADRO [NH3+]CC1(C(=O)N2CCN(C(=O)c3cccc(Cl)c3Cl)CC2)CCCC1 ZINC000238043315 553085291 /nfs/dbraw/zinc/08/52/91/553085291.db2.gz DDNIZMIFIZWAMI-UHFFFAOYSA-N 1 0 384.307 2.797 20 0 GFADRO C[C@H](C(=O)N1CCc2sccc2C1)N1CCN(CC(F)(F)F)[C@@H](C)C1 ZINC000245744182 553096176 /nfs/dbraw/zinc/09/61/76/553096176.db2.gz WHFBEICAJHHVIN-QWHCGFSZSA-N 1 0 375.460 2.590 20 0 GFADRO C[C@@H]1CN(C[C@@H](O)COCc2ccccc2Cl)CCN1CC(F)(F)F ZINC000245746860 553096262 /nfs/dbraw/zinc/09/62/62/553096262.db2.gz WYBDGKHWQYQFDX-UKRRQHHQSA-N 1 0 380.838 2.786 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2ccc(OC(F)(F)F)cc2)[C@@H](C)C1 ZINC000246258207 553105374 /nfs/dbraw/zinc/10/53/74/553105374.db2.gz UBOBNDVVSQEQCZ-WFASDCNBSA-N 1 0 380.432 2.936 20 0 GFADRO C[C@H](Cc1ccc(Br)cc1)NC(=O)N[C@H](C)[C@H](C)N1CCOCC1 ZINC000246533271 553109418 /nfs/dbraw/zinc/10/94/18/553109418.db2.gz WQGVHTZYTIBNRC-KFWWJZLASA-N 1 0 398.345 2.789 20 0 GFADRO COc1nc(N[C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)ncc1Br ZINC000246758668 553112867 /nfs/dbraw/zinc/11/28/67/553112867.db2.gz ZXVZDXYUPMRTKH-IUODEOHRSA-N 1 0 392.301 2.965 20 0 GFADRO C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@H+](C)C[C@@H]1CCC[C@H]1O ZINC000246810988 553113322 /nfs/dbraw/zinc/11/33/22/553113322.db2.gz PVXPZGJVHRTQKK-UKPHBRMFSA-N 1 0 383.330 2.889 20 0 GFADRO C[C@H](C(=O)NC[C@H](O)COc1ccccc1Br)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000247045385 553118101 /nfs/dbraw/zinc/11/81/01/553118101.db2.gz TUIWFMTXTGEAAK-BARDWOONSA-N 1 0 399.329 2.566 20 0 GFADRO C[N@@H+]1CCC[C@@H](CNC(=O)N2CCO[C@@H](c3ccc(Br)cc3)C2)C1 ZINC000247127286 553118795 /nfs/dbraw/zinc/11/87/95/553118795.db2.gz LVHSGGMRKGJOPG-WMLDXEAASA-N 1 0 396.329 2.874 20 0 GFADRO CSc1ccc(NC(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cc1Cl ZINC000247093138 553118899 /nfs/dbraw/zinc/11/88/99/553118899.db2.gz OEVOGFNETGVPIM-IUODEOHRSA-N 1 0 381.929 2.943 20 0 GFADRO C[C@H](Sc1nncn1C)C(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000247248619 553119922 /nfs/dbraw/zinc/11/99/22/553119922.db2.gz DPSVBQDHSRAADI-GZBFAFLISA-N 1 0 379.555 2.557 20 0 GFADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@H]1CCc2c1cccc2Br ZINC000247655444 553124701 /nfs/dbraw/zinc/12/47/01/553124701.db2.gz YDFBKGSLZOCRAP-GUYCJALGSA-N 1 0 396.329 2.846 20 0 GFADRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2S(=O)(=O)c2ccc(F)cc2C(F)(F)F)C1 ZINC000247673366 553125282 /nfs/dbraw/zinc/12/52/82/553125282.db2.gz ZVTJREIUJHTLIF-FZMZJTMJSA-N 1 0 380.407 2.949 20 0 GFADRO CC[C@@H]1CN([C@@H](C)C(=O)Nc2ccccc2Br)CC[N@@H+]1C[C@H](C)O ZINC000247778017 553125717 /nfs/dbraw/zinc/12/57/17/553125717.db2.gz REMFQPGLAYTABZ-SOUVJXGZSA-N 1 0 398.345 2.553 20 0 GFADRO C[C@@H]1C[N@@H+](C2CCN(C(=O)[C@@H](O)c3cc(Cl)cc(Cl)c3)CC2)CCO1 ZINC000247854977 553125792 /nfs/dbraw/zinc/12/57/92/553125792.db2.gz XWPWSLOHQFNYPQ-PXAZEXFGSA-N 1 0 387.307 2.739 20 0 GFADRO C[C@H](O)C[N@@H+]1CCN(CC(=O)Nc2c(Cl)cc(Cl)cc2Cl)C[C@H]1C ZINC000247809395 553125954 /nfs/dbraw/zinc/12/59/54/553125954.db2.gz UHZFHRQUQVFNOC-MNOVXSKESA-N 1 0 394.730 2.972 20 0 GFADRO O[C@H](COc1ccccc1C(F)(F)F)C[N@@H+]1CCS[C@@H]2COCC[C@H]21 ZINC000248456030 553129804 /nfs/dbraw/zinc/12/98/04/553129804.db2.gz LHHRBQRHWNKTSL-JGGQBBKZSA-N 1 0 377.428 2.651 20 0 GFADRO C[C@@H]1CC[C@@H]([NH2+]CC(=O)NCC(=O)Nc2ccccc2Br)[C@@H](C)C1 ZINC000248555361 553130910 /nfs/dbraw/zinc/13/09/10/553130910.db2.gz KJGSQCKHVHELKJ-VNHYZAJKSA-N 1 0 396.329 2.918 20 0 GFADRO Cc1cc(NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)cc(C)c1Br ZINC000248659281 553132677 /nfs/dbraw/zinc/13/26/77/553132677.db2.gz GMJKCJFVVPKXCX-UKRRQHHQSA-N 1 0 396.329 2.803 20 0 GFADRO CC[N@@H+](C[C@@H](O)C(F)(F)F)C[C@H](O)COc1ccc(Cl)cc1Cl ZINC000249459679 553143283 /nfs/dbraw/zinc/14/32/83/553143283.db2.gz OOXWFUYUIPYISA-GXFFZTMASA-N 1 0 376.202 2.978 20 0 GFADRO C[C@H](NC(=O)CN1CCC[C@H]1C(=O)NC1CC1)c1ccc(Cl)cc1Cl ZINC000249747733 553146175 /nfs/dbraw/zinc/14/61/75/553146175.db2.gz OHLQFQOGQHMNAU-ZBEGNZNMSA-N 1 0 384.307 2.914 20 0 GFADRO O=S(=O)(C[C@H](O)C[NH2+][C@@H]1CC[C@H](Cc2ccccc2)C1)c1cccs1 ZINC000253133056 553150448 /nfs/dbraw/zinc/15/04/48/553150448.db2.gz XNXTYECQLSSIRK-KZNAEPCWSA-N 1 0 379.547 2.884 20 0 GFADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)NCCOc3cccc(Br)c3)CC[C@H]21 ZINC000252653618 553150500 /nfs/dbraw/zinc/15/05/00/553150500.db2.gz ZNEINDOOMNRMRC-RHSMWYFYSA-N 1 0 396.329 2.954 20 0 GFADRO C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N1CCN(C[C@H](C)O)C[C@@H]1C ZINC000253203627 553150872 /nfs/dbraw/zinc/15/08/72/553150872.db2.gz HMRHXWYGCNWNEJ-RWMBFGLXSA-N 1 0 375.296 2.674 20 0 GFADRO O=C(c1cc(Cl)ccc1I)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000261605280 553153825 /nfs/dbraw/zinc/15/38/25/553153825.db2.gz RHIGHBSGRPEEKW-TVQRCGJNSA-N 1 0 390.652 2.769 20 0 GFADRO Cc1ccc(Br)cc1S(=O)(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000261607992 553154003 /nfs/dbraw/zinc/15/40/03/553154003.db2.gz BLDBDKNIVMAOSJ-JKSUJKDBSA-N 1 0 395.322 2.873 20 0 GFADRO O=C(NC[C@@H]1[NH2+]CCc2ccccc21)c1csc(I)c1 ZINC000261637479 553155185 /nfs/dbraw/zinc/15/51/85/553155185.db2.gz BYLCKOKEEXEHTN-ZDUSSCGKSA-N 1 0 398.269 2.970 20 0 GFADRO [NH3+][C@@H]1CCC[C@H]1CC(=O)N1CCN(C(=O)c2cccc(Cl)c2Cl)CC1 ZINC000261672725 553155981 /nfs/dbraw/zinc/15/59/81/553155981.db2.gz GESWEASESBYLGE-SWLSCSKDSA-N 1 0 384.307 2.795 20 0 GFADRO CCc1nc(C(=O)N2C[C@@H](C[NH3+])C[C@H]2C)nn1-c1c(Cl)cccc1Cl ZINC000261704803 553156807 /nfs/dbraw/zinc/15/68/07/553156807.db2.gz JNUWAUVWUAIESR-GHMZBOCLSA-N 1 0 382.295 2.946 20 0 GFADRO COc1ccc(CNC(=O)[C@@](C)([NH3+])c2ccc(Br)cc2)c(OC)c1 ZINC000261737045 553157600 /nfs/dbraw/zinc/15/76/00/553157600.db2.gz LKAPZGJZJZNWPR-SFHVURJKSA-N 1 0 393.281 2.957 20 0 GFADRO Cc1cnn([C@@H]2CCCN(C(=O)[C@@](C)([NH3+])c3ccc(Br)cc3)C2)c1 ZINC000261746879 553157866 /nfs/dbraw/zinc/15/78/66/553157866.db2.gz MIFAFHOIIJBYAA-AEFFLSMTSA-N 1 0 391.313 2.992 20 0 GFADRO O=C(NC[C@H]1CCCN(Cc2ccc(C(F)(F)F)s2)C1)[C@@H]1CCC[NH2+]1 ZINC000261755497 553158061 /nfs/dbraw/zinc/15/80/61/553158061.db2.gz CMCDNTRFSAIDMQ-OCCSQVGLSA-N 1 0 375.460 2.847 20 0 GFADRO O=C(CN1CCN([C@H]2CC[NH2+]C2)CC1)Nc1cc(Cl)c(Cl)cc1Cl ZINC000261798215 553159621 /nfs/dbraw/zinc/15/96/21/553159621.db2.gz ZPVQTDXHEZYXHD-NSHDSACASA-N 1 0 391.730 2.565 20 0 GFADRO Cc1cc(N2C[C@H](c3nc(C4([NH3+])CCC4)no3)CC2=O)ccc1Br ZINC000261810144 553160059 /nfs/dbraw/zinc/16/00/59/553160059.db2.gz PUBRHKJMRQVYEK-LLVKDONJSA-N 1 0 391.269 2.999 20 0 GFADRO [NH3+]C1(c2noc(CCNC(=O)c3ccc(Br)cc3)n2)CCCC1 ZINC000261828650 553160410 /nfs/dbraw/zinc/16/04/10/553160410.db2.gz RCSIYBIOZCXDPA-UHFFFAOYSA-N 1 0 379.258 2.533 20 0 GFADRO C[C@]([NH3+])(C(=O)N1CCC(Cn2cccn2)CC1)c1ccc(Br)cc1 ZINC000261877414 553161836 /nfs/dbraw/zinc/16/18/36/553161836.db2.gz YRAVQWCXGPRKFT-GOSISDBHSA-N 1 0 391.313 2.758 20 0 GFADRO CC[C@@H](Sc1ccccc1)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000261903816 553162242 /nfs/dbraw/zinc/16/22/42/553162242.db2.gz SAUYVONBNYVALE-HUUCEWRRSA-N 1 0 375.460 2.510 20 0 GFADRO CN(Cc1cccc(Br)c1)C(=O)[C@]1([NH3+])[C@@H]2CCCO[C@@H]2C1(C)C ZINC000261895368 553162259 /nfs/dbraw/zinc/16/22/59/553162259.db2.gz OGLYRARTEKHANF-RVKKMQEKSA-N 1 0 381.314 2.940 20 0 GFADRO C[NH2+][C@H](C)Cc1noc([C@H]2CCCN2C(=O)c2ccc(Br)cc2)n1 ZINC000261904049 553162448 /nfs/dbraw/zinc/16/24/48/553162448.db2.gz YVKSLRAEBRQKPE-BXUZGUMPSA-N 1 0 393.285 2.960 20 0 GFADRO O=C(CCNC(=O)c1ccsc1)N1CC[NH2+]C[C@@H]1c1cccc(Cl)c1 ZINC000261938658 553162673 /nfs/dbraw/zinc/16/26/73/553162673.db2.gz JECRTARQOPXGGF-MRXNPFEDSA-N 1 0 377.897 2.695 20 0 GFADRO O=S(=O)(NC1CC[NH+](Cc2cccc3c2NCC3)CC1)c1cccs1 ZINC000261958683 553163531 /nfs/dbraw/zinc/16/35/31/553163531.db2.gz OYPFJYGKRHNZHP-UHFFFAOYSA-N 1 0 377.535 2.659 20 0 GFADRO O=C(Nc1ncc(C2CC[NH2+]CC2)s1)[C@H]1CCCN(CC(F)(F)F)C1 ZINC000261961553 553163613 /nfs/dbraw/zinc/16/36/13/553163613.db2.gz AFROYVBYMUYSAY-LBPRGKRZSA-N 1 0 376.448 2.823 20 0 GFADRO [NH3+]C1(c2noc(-c3sccc3S(=O)(=O)NCc3cccs3)n2)CCC1 ZINC000261975230 553163983 /nfs/dbraw/zinc/16/39/83/553163983.db2.gz QSVKVBWMANMPQI-UHFFFAOYSA-N 1 0 396.519 2.676 20 0 GFADRO C[NH2+]CCC1CCN(C(=O)C[C@@H]2Sc3ccc(Cl)cc3NC2=O)CC1 ZINC000261997527 553164015 /nfs/dbraw/zinc/16/40/15/553164015.db2.gz FVIJYFJAFROEAE-INIZCTEOSA-N 1 0 381.929 2.991 20 0 GFADRO CCOC(=O)c1cc2cc(S(=O)(=O)NC3(C[NH3+])CCCC3)ccc2s1 ZINC000261976145 553164041 /nfs/dbraw/zinc/16/40/41/553164041.db2.gz CAMTVCRLVOLVLR-UHFFFAOYSA-N 1 0 382.507 2.628 20 0 GFADRO Fc1ccc(I)c(F)c1CN1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262032170 553164519 /nfs/dbraw/zinc/16/45/19/553164519.db2.gz XGESKCVDYBYHEV-ZJUUUORDSA-N 1 0 378.204 2.896 20 0 GFADRO Cc1nc(-c2ccc(Cl)s2)sc1C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000262014170 553164841 /nfs/dbraw/zinc/16/48/41/553164841.db2.gz HWFYMDMTLKCBAO-GFCCVEGCSA-N 1 0 396.969 2.953 20 0 GFADRO Cc1ccc(C(=O)Nc2ncc(C3CC[NH2+]CC3)s2)cc1S(C)(=O)=O ZINC000262034939 553164895 /nfs/dbraw/zinc/16/48/95/553164895.db2.gz KJRDOEIMHINXRM-UHFFFAOYSA-N 1 0 379.507 2.574 20 0 GFADRO O=S(=O)(c1c(Cl)cccc1Br)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000262155699 553166658 /nfs/dbraw/zinc/16/66/58/553166658.db2.gz ZIUXAYSKMGTNGS-SNVBAGLBSA-N 1 0 379.707 2.618 20 0 GFADRO Cn1nc(C2CC[NH2+]CC2)nc1NC(=O)c1ccc(Br)c(Cl)c1 ZINC000262349562 553169310 /nfs/dbraw/zinc/16/93/10/553169310.db2.gz HDGAXHSRUJSMDC-UHFFFAOYSA-N 1 0 398.692 2.950 20 0 GFADRO COCC1(C(=O)N[C@H](C)Cc2ccc(F)c(Br)c2)CC[NH2+]CC1 ZINC000262440709 553170669 /nfs/dbraw/zinc/17/06/69/553170669.db2.gz YBGAVENCNBARTG-GFCCVEGCSA-N 1 0 387.293 2.652 20 0 GFADRO CCc1nc(C(=O)N2CC[C@@H](C[NH2+]C)C2)nn1-c1c(Cl)cccc1Cl ZINC000262569876 553172567 /nfs/dbraw/zinc/17/25/67/553172567.db2.gz BXSJDXIIODNRRR-NSHDSACASA-N 1 0 382.295 2.818 20 0 GFADRO C[C@H](C(=O)N1CCC[C@@H]1c1ccccc1I)C1C[NH2+]C1 ZINC000262568448 553172625 /nfs/dbraw/zinc/17/26/25/553172625.db2.gz SBORVXVWERGWHN-XHDPSFHLSA-N 1 0 384.261 2.810 20 0 GFADRO O=C(NCC[C@@H]1CC[NH2+]C1)[C@@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 ZINC000262589017 553173133 /nfs/dbraw/zinc/17/31/33/553173133.db2.gz QFMUWLNFMTXSRO-LRDDRELGSA-N 1 0 384.307 2.714 20 0 GFADRO C[S@@](=O)Cc1cc(NC(=O)c2ccn([C@H]3CCC[NH2+]C3)n2)ccc1Cl ZINC000262709399 553173906 /nfs/dbraw/zinc/17/39/06/553173906.db2.gz FACNVXGMTWCYNB-HWRSSNJWSA-N 1 0 380.901 2.592 20 0 GFADRO [NH3+]C[C@@H](NS(=O)(=O)c1cccc(Cl)c1Br)C1CCCC1 ZINC000262739306 553174602 /nfs/dbraw/zinc/17/46/02/553174602.db2.gz BNNMAIUVAZHGFA-LLVKDONJSA-N 1 0 381.723 2.898 20 0 GFADRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)CCOc1ccc(Cl)cc1Br ZINC000262775938 553175509 /nfs/dbraw/zinc/17/55/09/553175509.db2.gz LSSWTCUSWMXTNR-ZWNOBZJWSA-N 1 0 375.694 2.986 20 0 GFADRO C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)c1ccc(Cl)c(I)c1 ZINC000262751943 553175028 /nfs/dbraw/zinc/17/50/28/553175028.db2.gz GVHCERFTFNOQSZ-DTWKUNHWSA-N 1 0 378.641 2.767 20 0 GFADRO C[C@H]1C[NH2+]CC[C@@H]1NS(=O)(=O)c1c(Cl)cc(F)cc1Br ZINC000262787464 553175760 /nfs/dbraw/zinc/17/57/60/553175760.db2.gz QSZGPTOZYHOESS-CPCISQLKSA-N 1 0 385.686 2.518 20 0 GFADRO O=C(NCCc1cc(Br)ccc1F)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000262809635 553176187 /nfs/dbraw/zinc/17/61/87/553176187.db2.gz QCDMJEJCRKADJM-AWEZNQCLSA-N 1 0 395.276 2.682 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)c2ccc(I)cc2Cl)CC[NH2+]1 ZINC000262839270 553176894 /nfs/dbraw/zinc/17/68/94/553176894.db2.gz IROHIDAMLLEQJO-PSASIEDQSA-N 1 0 378.641 2.815 20 0 GFADRO O=C(Nc1ccc(I)cc1)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000262859475 553177477 /nfs/dbraw/zinc/17/74/77/553177477.db2.gz WFXLDBNLKVSFAG-ZDUSSCGKSA-N 1 0 396.232 2.665 20 0 GFADRO C[C@]1([NH3+])CCCC[C@H]1C(=O)Nc1ncn(Cc2cccc(Br)c2)n1 ZINC000262907659 553178198 /nfs/dbraw/zinc/17/81/98/553178198.db2.gz FHWDOIZJYQCAQS-YOEHRIQHSA-N 1 0 392.301 2.935 20 0 GFADRO COC(=O)[C@@H](NC(=O)CCC1CC[NH2+]CC1)c1ccc(Br)cc1 ZINC000263197048 553184303 /nfs/dbraw/zinc/18/43/03/553184303.db2.gz INRKYLGUGJUCOW-INIZCTEOSA-N 1 0 383.286 2.559 20 0 GFADRO C[C@@]1([NH3+])CCCC[C@H]1C(=O)NCCC(=O)Nc1ccc(Br)cc1 ZINC000263256283 553184905 /nfs/dbraw/zinc/18/49/05/553184905.db2.gz QNENMWCUMLRJBH-WMLDXEAASA-N 1 0 382.302 2.802 20 0 GFADRO COc1c(Cl)cc(NC(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1Cl ZINC000263663031 553191015 /nfs/dbraw/zinc/19/10/15/553191015.db2.gz GWFKLKSTNSAWRI-KBPBESRZSA-N 1 0 386.279 2.684 20 0 GFADRO CCCC[N@H+](CCO)Cc1cc(Br)ccc1O[C@@H](C)C(=O)NC ZINC000449002984 563904873 /nfs/dbraw/zinc/90/48/73/563904873.db2.gz OCJYGRHCNXCBIK-ZDUSSCGKSA-N 1 0 387.318 2.557 20 0 GFADRO Cc1cc(CNC(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)ccc1I ZINC000418144737 563900025 /nfs/dbraw/zinc/90/00/25/563900025.db2.gz VCJRKSQPUXUFMD-CQSZACIVSA-N 1 0 399.276 2.636 20 0 GFADRO CC[C@@H](CCc1ccc(Br)cc1)[NH2+]C[C@H]1CS(=O)(=O)CCO1 ZINC000537951730 564178537 /nfs/dbraw/zinc/17/85/37/564178537.db2.gz AEPSSQCMKLIDTI-HOTGVXAUSA-N 1 0 390.343 2.564 20 0 GFADRO C[C@H](CCc1ccc(I)cc1)[NH2+]C[C@]1(O)CCO[C@@H]1C ZINC000475189883 564302084 /nfs/dbraw/zinc/30/20/84/564302084.db2.gz IRAMAPWDSLRMSL-XJKCOSOUSA-N 1 0 389.277 2.742 20 0 GFADRO CN(C)c1cc(Cl)cc(Cl)c1C[NH2+]C1CCN(S(C)(=O)=O)CC1 ZINC000566075449 564308282 /nfs/dbraw/zinc/30/82/82/564308282.db2.gz OKXMZDQYASGXLC-UHFFFAOYSA-N 1 0 380.341 2.573 20 0 GFADRO Cc1cc(F)c(Br)cc1S(=O)(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000566228769 564318408 /nfs/dbraw/zinc/31/84/08/564318408.db2.gz PJEGBPFWKZWTAQ-OAHLLOKOSA-N 1 0 391.306 2.661 20 0 GFADRO O=C(CSc1cccc(Br)c1)NC[C@@H]1CCCC[N@H+]1CCO ZINC000452370033 564409101 /nfs/dbraw/zinc/40/91/01/564409101.db2.gz FLFCQPIDSLVAQP-AWEZNQCLSA-N 1 0 387.343 2.504 20 0 GFADRO C[C@H]([NH2+]C[C@@]1(CCO)CCOC1)c1ccc(F)c(I)c1 ZINC000453129867 564447433 /nfs/dbraw/zinc/44/74/33/564447433.db2.gz BJUPHXHGPXXGSU-XHDPSFHLSA-N 1 0 393.240 2.870 20 0 GFADRO CC[C@H](CNS(C)(=O)=O)[NH2+][C@H]1CCCc2cc(Br)ccc21 ZINC000453281216 564452198 /nfs/dbraw/zinc/45/21/98/564452198.db2.gz KKWKZGMZIVUVBD-HIFRSBDPSA-N 1 0 375.332 2.744 20 0 GFADRO CCC[C@](C)(O)C[NH2+]Cc1cc(Br)ccc1O[C@H](C)C(=O)NC ZINC000295245263 563238451 /nfs/dbraw/zinc/23/84/51/563238451.db2.gz TVGQDHBGOHKPFW-PXAZEXFGSA-N 1 0 387.318 2.603 20 0 GFADRO C[N@@H+]1CCN(CCNC(=O)/C=C/c2ccc(Br)s2)CC1(C)C ZINC000281810350 563387691 /nfs/dbraw/zinc/38/76/91/563387691.db2.gz QARKXMQSPZCHQW-FNORWQNLSA-N 1 0 386.359 2.666 20 0 GFADRO C[N@@H+]1CCC[C@@H]1CNC(=O)Nc1ccc(F)cc1I ZINC000428784883 563501088 /nfs/dbraw/zinc/50/10/88/563501088.db2.gz LILYDFKWXAFABW-SNVBAGLBSA-N 1 0 377.201 2.646 20 0 GFADRO C[C@@H]1C[C@@H](NS(=O)(=O)c2c(Cl)cccc2Br)CC[N@@H+]1C ZINC000383228255 563516105 /nfs/dbraw/zinc/51/61/05/563516105.db2.gz ATJSJGJGUMDBLA-ZJUUUORDSA-N 1 0 381.723 2.864 20 0 GFADRO CCOc1c(Br)cc(C[N@H+](C)[C@H]2CCN3CCO[C@H]2C3)cc1OC ZINC000294673247 563212654 /nfs/dbraw/zinc/21/26/54/563212654.db2.gz ARDUJWKBXNCAJU-RDJZCZTQSA-N 1 0 399.329 2.761 20 0 GFADRO Cc1cc(C[NH2+]Cc2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)cs1 ZINC000294685156 563212879 /nfs/dbraw/zinc/21/28/79/563212879.db2.gz AHXFZSGZQIDCEA-KRWDZBQOSA-N 1 0 380.535 2.804 20 0 GFADRO CCc1ccccc1[C@@H]([NH3+])CNC(=O)NCCCn1cc(Br)cn1 ZINC000418197215 563213173 /nfs/dbraw/zinc/21/31/73/563213173.db2.gz SNEGHNVYHYBLAA-INIZCTEOSA-N 1 0 394.317 2.597 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCN(C(=O)NCCc2c[nH]c3cccc(Br)c23)C1 ZINC000418200096 563213383 /nfs/dbraw/zinc/21/33/83/563213383.db2.gz PHCFLGAJNNGSKH-AAEUAGOBSA-N 1 0 379.302 2.852 20 0 GFADRO COC[C@@]1(CNC(=O)NC/C=C/c2ccc(Br)cc2)CCC[NH2+]1 ZINC000418238158 563214198 /nfs/dbraw/zinc/21/41/98/563214198.db2.gz AFAJQMQFUZCUHN-WVMJFEGXSA-N 1 0 382.302 2.530 20 0 GFADRO C[NH2+]CCCNC(=O)N1CCC[C@H]1c1ccccc1I ZINC000418311978 563215589 /nfs/dbraw/zinc/21/55/89/563215589.db2.gz SEIHQHSBMMPBED-AWEZNQCLSA-N 1 0 387.265 2.747 20 0 GFADRO [NH3+]CCCOC1CCN(C(=O)NCCc2cccc(Br)c2)CC1 ZINC000418275735 563215725 /nfs/dbraw/zinc/21/57/25/563215725.db2.gz DECQZNWQGFVWGA-UHFFFAOYSA-N 1 0 384.318 2.531 20 0 GFADRO C[N@@H+]1CC[C@@H](CNS(=O)(=O)Cc2ccc(Cl)nc2)[C@H]1c1cccs1 ZINC000369540407 563216004 /nfs/dbraw/zinc/21/60/04/563216004.db2.gz NROSXAXTZFXKLD-BBRMVZONSA-N 1 0 385.942 2.909 20 0 GFADRO COCc1cccc(S(=O)(=O)NC[C@@H]2CC[N@H+](C)[C@H]2c2cccs2)c1 ZINC000369539710 563216234 /nfs/dbraw/zinc/21/62/34/563216234.db2.gz JZBZUCZTWIVVRR-MAUKXSAKSA-N 1 0 380.535 2.866 20 0 GFADRO O=S(=O)(c1c(F)c(F)c(F)c(F)c1F)N1CCC[C@H]2C[NH2+]CCC[C@@H]21 ZINC000369535523 563216434 /nfs/dbraw/zinc/21/64/34/563216434.db2.gz BIBNRMBIPZJKIL-IUCAKERBSA-N 1 0 384.370 2.535 20 0 GFADRO CC(C)([NH3+])CNC(=O)N1CCC[C@@H]1c1ccccc1I ZINC000418413872 563217033 /nfs/dbraw/zinc/21/70/33/563217033.db2.gz KKBZBKGFEMDMEF-CYBMUJFWSA-N 1 0 387.265 2.875 20 0 GFADRO CCCC(=O)N1CSC[C@@H]1C(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1cccs1 ZINC000369567002 563217065 /nfs/dbraw/zinc/21/70/65/563217065.db2.gz FZYUOPZEVBWYOG-JJRVBVJISA-N 1 0 381.567 2.559 20 0 GFADRO [NH3+][C@@H](CNC(=O)N(CCO)Cc1ccc(Br)s1)c1ccccc1 ZINC000418422230 563217192 /nfs/dbraw/zinc/21/71/92/563217192.db2.gz DCQVNCUAHHUROG-AWEZNQCLSA-N 1 0 398.326 2.715 20 0 GFADRO CC(C)C[C@@H](C[NH3+])NC(=O)NCc1noc(-c2cccc(Br)c2)n1 ZINC000418445902 563217804 /nfs/dbraw/zinc/21/78/04/563217804.db2.gz OXOJVTHUBGZNKF-ZDUSSCGKSA-N 1 0 396.289 2.672 20 0 GFADRO [NH3+][C@H](CNC(=O)N1CCC[C@H]1c1ccccc1I)C1CC1 ZINC000418489734 563218719 /nfs/dbraw/zinc/21/87/19/563218719.db2.gz PCFGWJHMMYFZGM-CABCVRRESA-N 1 0 399.276 2.875 20 0 GFADRO [NH3+][C@@H](CNC(=O)N1CCC(Oc2cccc(Br)c2)CC1)C1CC1 ZINC000418503009 563218785 /nfs/dbraw/zinc/21/87/85/563218785.db2.gz WJRYTMXKWOFBNA-INIZCTEOSA-N 1 0 382.302 2.739 20 0 GFADRO [NH3+][C@H](CNC(=O)N1CCO[C@H](c2cc(F)c(Cl)cc2Cl)C1)C1CC1 ZINC000418497229 563218793 /nfs/dbraw/zinc/21/87/93/563218793.db2.gz JTKAQGYLJSQXQG-CABCVRRESA-N 1 0 376.259 2.953 20 0 GFADRO [NH3+][C@@H](CNC(=O)N1CCC[C@@H]1c1ccccc1I)C1CC1 ZINC000418489937 563218854 /nfs/dbraw/zinc/21/88/54/563218854.db2.gz PCFGWJHMMYFZGM-LSDHHAIUSA-N 1 0 399.276 2.875 20 0 GFADRO [NH3+][C@@H](CNC(=O)N1CCC[C@@H]1C(=O)Nc1cc(Cl)cc(Cl)c1)C1CC1 ZINC000418502366 563218944 /nfs/dbraw/zinc/21/89/44/563218944.db2.gz UQYLGASHUCKSOZ-LSDHHAIUSA-N 1 0 385.295 2.843 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H](NC(=O)N[C@H](CO)c2ccc(Cl)cc2C(F)(F)F)C1 ZINC000418575319 563219930 /nfs/dbraw/zinc/21/99/30/563219930.db2.gz GXNHLIVXFRMCSU-JTNHKYCSSA-N 1 0 379.810 2.961 20 0 GFADRO [NH3+][C@@H]1CCC[C@H](NC(=O)N[C@H](CO)c2ccc(Cl)cc2C(F)(F)F)C1 ZINC000418575324 563220095 /nfs/dbraw/zinc/22/00/95/563220095.db2.gz GXNHLIVXFRMCSU-UHIISALHSA-N 1 0 379.810 2.961 20 0 GFADRO O[C@H](COCc1ccccc1Cl)C[N@@H+]1CCC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000277706151 563221924 /nfs/dbraw/zinc/22/19/24/563221924.db2.gz IARKWWIATMTFFF-INWMFGNUSA-N 1 0 381.822 2.853 20 0 GFADRO CC[NH+]1CCN(CCNC(=O)c2cc(Cl)c(Br)cc2F)CC1 ZINC000294936310 563222480 /nfs/dbraw/zinc/22/24/80/563222480.db2.gz MEMWJAJYRADDRF-UHFFFAOYSA-N 1 0 392.700 2.609 20 0 GFADRO C[C@@H]([NH3+])[C@H](C)NC(=O)N(Cc1cccc(Br)c1)C1CCOCC1 ZINC000418704151 563222566 /nfs/dbraw/zinc/22/25/66/563222566.db2.gz RAWGYXJVMFITRT-OLZOCXBDSA-N 1 0 384.318 2.875 20 0 GFADRO Cc1c(Br)cccc1C(=O)N1CCC[C@H](C[NH+]2CCN(C)CC2)C1 ZINC000369710447 563222607 /nfs/dbraw/zinc/22/26/07/563222607.db2.gz NQOIRSXHOHTUOO-MRXNPFEDSA-N 1 0 394.357 2.857 20 0 GFADRO CC[C@@H]([NH3+])CNC(=O)N(CCc1ccc(Cl)cc1)C[C@H](O)C(F)(F)F ZINC000418699751 563222676 /nfs/dbraw/zinc/22/26/76/563222676.db2.gz BAUIJPSUCVVQNO-KGLIPLIRSA-N 1 0 381.826 2.555 20 0 GFADRO CC[C@@H]([NH3+])CNC(=O)N1CCC(C(=O)Nc2ccccc2Br)CC1 ZINC000418706142 563222680 /nfs/dbraw/zinc/22/26/80/563222680.db2.gz FHMPAQTYFRWKHO-CYBMUJFWSA-N 1 0 397.317 2.547 20 0 GFADRO C[C@H](CNC(=O)COc1c(Cl)cc(Cl)cc1Cl)N1CC[NH+](C)CC1 ZINC000294995690 563224829 /nfs/dbraw/zinc/22/48/29/563224829.db2.gz VBYXCQHUQZQBDF-LLVKDONJSA-N 1 0 394.730 2.778 20 0 GFADRO CN1CC[NH2+]C[C@H]1CNC(=O)N1CCC(c2c(Cl)cccc2Cl)CC1 ZINC000418762295 563224949 /nfs/dbraw/zinc/22/49/49/563224949.db2.gz LTGRINUMFKHJPD-AWEZNQCLSA-N 1 0 385.339 2.786 20 0 GFADRO COc1ccc(Br)cc1CN(C)C(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000418762947 563224995 /nfs/dbraw/zinc/22/49/95/563224995.db2.gz MYVJWAFBGOWPOD-ZDUSSCGKSA-N 1 0 392.244 2.596 20 0 GFADRO CSC1(CNC(=O)NC[C@H]2CC[N@H+](C)[C@H]2c2cccs2)CCOCC1 ZINC000369794047 563225080 /nfs/dbraw/zinc/22/50/80/563225080.db2.gz ZNSIYDAUDGHILX-GDBMZVCRSA-N 1 0 383.583 2.952 20 0 GFADRO CN(Cc1ccc(Br)c(F)c1)C(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000418768957 563225183 /nfs/dbraw/zinc/22/51/83/563225183.db2.gz RFWVBBRCJQBAEK-LBPRGKRZSA-N 1 0 380.208 2.727 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1CN1CC[C@H](SC)C1 ZINC000295003552 563225613 /nfs/dbraw/zinc/22/56/13/563225613.db2.gz ISEDKVYOENQIMZ-FZMZJTMJSA-N 1 0 387.343 2.900 20 0 GFADRO C[C@H](NC(=O)C(=O)N1CCC[C@H](CC[NH3+])C1)c1cc(F)c(Cl)cc1Cl ZINC000418828707 563226373 /nfs/dbraw/zinc/22/63/73/563226373.db2.gz DBQGMYSINYEIQB-WDEREUQCSA-N 1 0 390.286 2.897 20 0 GFADRO C[C@H](NC(=O)C(=O)NCC[C@H]1CCC[NH2+]1)c1cc(F)c(Cl)cc1Cl ZINC000418849285 563227372 /nfs/dbraw/zinc/22/73/72/563227372.db2.gz MKKDGZNWEYVVFF-VHSXEESVSA-N 1 0 376.259 2.568 20 0 GFADRO COCCC[N@@H+]1CCCN([C@H](C)C(=O)Nc2ccc(Br)cc2)CC1 ZINC000369903730 563227730 /nfs/dbraw/zinc/22/77/30/563227730.db2.gz BGCJLPVBFFLATM-OAHLLOKOSA-N 1 0 398.345 2.820 20 0 GFADRO C[C@@H](NC(=O)C(=O)N[C@H](C[NH3+])C1CCCC1)c1cc(F)c(Cl)cc1Cl ZINC000418851336 563228058 /nfs/dbraw/zinc/22/80/58/563228058.db2.gz PJKOVMATGIHNEZ-RFAUZJTJSA-N 1 0 390.286 2.943 20 0 GFADRO C[NH2+]C1CCN(C(=O)C(=O)N[C@H](C)c2cc(F)c(Cl)cc2Cl)CC1 ZINC000418859822 563228702 /nfs/dbraw/zinc/22/87/02/563228702.db2.gz LBKWCZHCUFSXEO-SECBINFHSA-N 1 0 376.259 2.520 20 0 GFADRO CN(CC(C)(C)C[NH3+])C(=O)C(=O)N[C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000418896864 563229396 /nfs/dbraw/zinc/22/93/96/563229396.db2.gz WAZDUXFFOGXQCQ-JOCQHMNTSA-N 1 0 386.323 2.799 20 0 GFADRO NC(=O)c1ccc(CNC(=O)C2CC[NH+](Cc3ccc(Cl)s3)CC2)o1 ZINC000370047433 563231941 /nfs/dbraw/zinc/23/19/41/563231941.db2.gz XUBHUKFUYVQPRB-UHFFFAOYSA-N 1 0 381.885 2.622 20 0 GFADRO C[C@H]([NH3+])C1CCN(C(=O)C(=O)NCCCc2ccc(Cl)cc2Cl)CC1 ZINC000419033473 563232343 /nfs/dbraw/zinc/23/23/43/563232343.db2.gz CKKXEIJPXPGVAQ-LBPRGKRZSA-N 1 0 386.323 2.628 20 0 GFADRO [NH3+]C[C@H](NC(=O)C(=O)N[C@@H]1CCc2c1ccc(Cl)c2Cl)C1CCCC1 ZINC000419100344 563234006 /nfs/dbraw/zinc/23/40/06/563234006.db2.gz PYCOVNKTQINWQB-CABCVRRESA-N 1 0 384.307 2.731 20 0 GFADRO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)C(=O)N[C@H]1CCSc2ccc(Cl)cc21 ZINC000419204252 563235174 /nfs/dbraw/zinc/23/51/74/563235174.db2.gz GPEUTMLKJOEIII-GLQYFDAESA-N 1 0 381.929 2.627 20 0 GFADRO O=C(NC[C@H]1CCC[C@H]1[NH+]1CCOCC1)c1c(F)cccc1Br ZINC000370160398 563235762 /nfs/dbraw/zinc/23/57/62/563235762.db2.gz GKGPKJMGRZVVTJ-IUODEOHRSA-N 1 0 385.277 2.819 20 0 GFADRO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1Cc1nnc(-c2ccc(Cl)cc2Cl)o1 ZINC000419329642 563236988 /nfs/dbraw/zinc/23/69/88/563236988.db2.gz QCJNSXLCFDNGRY-NWDGAFQWSA-N 1 0 385.295 2.930 20 0 GFADRO CC[C@@H]([NH2+]CC(=O)NCC(=O)Nc1ccccc1Br)[C@H]1CC1(C)C ZINC000419314964 563237304 /nfs/dbraw/zinc/23/73/04/563237304.db2.gz IYHYVQIQZZENDP-TZMCWYRMSA-N 1 0 396.329 2.918 20 0 GFADRO C[C@H](NC(=O)CN1C[C@@H](C)[N@H+](CCO)C[C@@H]1C)c1ccc(Cl)c(Cl)c1 ZINC000419335316 563237669 /nfs/dbraw/zinc/23/76/69/563237669.db2.gz VZXIMKUUYJZOOM-RDBSUJKOSA-N 1 0 388.339 2.558 20 0 GFADRO COCCO[C@@H]1C[C@@H](CO)C[N@H+](CCCc2ccccc2Br)C1 ZINC000278030594 563237768 /nfs/dbraw/zinc/23/77/68/563237768.db2.gz BHHUQTIYZKFXGG-NVXWUHKLSA-N 1 0 386.330 2.728 20 0 GFADRO CC(C)(CNC(=O)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1)c1ccc(Cl)c(Cl)c1 ZINC000419354699 563238754 /nfs/dbraw/zinc/23/87/54/563238754.db2.gz FAJWFDFWURRCCU-CHWSQXEVSA-N 1 0 386.323 2.773 20 0 GFADRO CC(C)CN(C(=O)Cc1cc[nH]c(=O)c1Br)C1CC[NH+](C)CC1 ZINC000278073024 563239070 /nfs/dbraw/zinc/23/90/70/563239070.db2.gz WAWUGEQJKAFHQW-UHFFFAOYSA-N 1 0 384.318 2.671 20 0 GFADRO CS(=O)(=O)N1CC[C@@H](C[N@@H+]2CCC[C@H]2c2ccc(Br)s2)C1 ZINC000370285373 563239262 /nfs/dbraw/zinc/23/92/62/563239262.db2.gz LZVPWMJGCHBZGW-RYUDHWBXSA-N 1 0 393.372 2.929 20 0 GFADRO C[C@H](Cc1c(Cl)cccc1Cl)NC(=O)C(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000419580691 563242635 /nfs/dbraw/zinc/24/26/35/563242635.db2.gz ZMWIMSYEJOANIV-BFQNTYOBSA-N 1 0 386.323 2.674 20 0 GFADRO C[C@@H](C(=O)Nc1cccc(Br)c1)[N@@H+]1CC[C@]2(C1)CCCN(C)C2=O ZINC000370404772 563242766 /nfs/dbraw/zinc/24/27/66/563242766.db2.gz IVJZZTJRMGPIMW-UGSOOPFHSA-N 1 0 394.313 2.720 20 0 GFADRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)[C@H]1CCCN1C(=O)c1ccc(Cl)s1 ZINC000370472502 563244729 /nfs/dbraw/zinc/24/47/29/563244729.db2.gz OJNPIYOFTAWAEH-MRVWCRGKSA-N 1 0 381.929 2.605 20 0 GFADRO O=C(c1ccco1)N1CCC([NH2+]CCCCn2cc(Br)cn2)CC1 ZINC000370484468 563245766 /nfs/dbraw/zinc/24/57/66/563245766.db2.gz MWRRZHAKZHWMDY-UHFFFAOYSA-N 1 0 395.301 2.913 20 0 GFADRO Cn1cc([C@@H](NC(=O)NC[C@H](c2ccsc2)[NH+](C)C)C(F)(F)F)cn1 ZINC000278233052 563246157 /nfs/dbraw/zinc/24/61/57/563246157.db2.gz FRRSZVZPHHTRDQ-CHWSQXEVSA-N 1 0 375.420 2.687 20 0 GFADRO CC(C)(C)Oc1ccc(C[NH2+]Cc2ccc(S(N)(=O)=O)c(Cl)c2)cn1 ZINC000419689993 563246145 /nfs/dbraw/zinc/24/61/45/563246145.db2.gz JXEFPWYMTSEYEC-UHFFFAOYSA-N 1 0 383.901 2.850 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)C2(c3ccc(Br)cc3)CCOCC2)CC[NH2+]1 ZINC000278233350 563246216 /nfs/dbraw/zinc/24/62/16/563246216.db2.gz KLAHFSYTWZVABF-CJNGLKHVSA-N 1 0 381.314 2.754 20 0 GFADRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)NCC(C)(C)c1c(Cl)cccc1Cl ZINC000419700496 563246889 /nfs/dbraw/zinc/24/68/89/563246889.db2.gz XNMRNEKYZUKGQQ-BXUZGUMPSA-N 1 0 386.323 2.501 20 0 GFADRO COCC(C)(C)CCC[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000419707636 563247312 /nfs/dbraw/zinc/24/73/12/563247312.db2.gz MGVVVACKBXJUSS-UHFFFAOYSA-N 1 0 393.347 2.639 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+]CCC2CC(F)(F)C2)cc1Br ZINC000419724208 563248385 /nfs/dbraw/zinc/24/83/85/563248385.db2.gz DMBPHHWMSWOWPG-UHFFFAOYSA-N 1 0 383.258 2.622 20 0 GFADRO Cc1c(CNC(=O)C(=O)N2CC[C@@H]([NH3+])[C@H](C)C2)sc2ccc(Cl)cc12 ZINC000419718679 563248443 /nfs/dbraw/zinc/24/84/43/563248443.db2.gz WGNKMJFPLNVZKE-QMTHXVAHSA-N 1 0 379.913 2.675 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)Cc1cc[nH]c(=O)c1Br)c1cccs1 ZINC000278292484 563248632 /nfs/dbraw/zinc/24/86/32/563248632.db2.gz AFXKHZQBVPILSJ-LLVKDONJSA-N 1 0 384.299 2.573 20 0 GFADRO CC[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)NCCC[NH2+]C1CC1 ZINC000419749468 563249575 /nfs/dbraw/zinc/24/95/75/563249575.db2.gz GXQARKGKEAZQBF-AWEZNQCLSA-N 1 0 386.323 2.689 20 0 GFADRO CC[NH2+]CC1CCN(C(=O)C(=O)NCCc2ccc(Cl)cc2Cl)CC1 ZINC000419800597 563250856 /nfs/dbraw/zinc/25/08/56/563250856.db2.gz ZKDIGPBHMKCOLZ-UHFFFAOYSA-N 1 0 386.323 2.500 20 0 GFADRO CCCN(C(=O)C(=O)NCCc1ccc(Cl)cc1Cl)C1CC[NH2+]CC1 ZINC000419800966 563251273 /nfs/dbraw/zinc/25/12/73/563251273.db2.gz ZSZYTBTVZYZDCQ-UHFFFAOYSA-N 1 0 386.323 2.643 20 0 GFADRO CCC[C@@H](O)[C@H](CO)[NH2+]Cc1c(C)nn(-c2ccc(Br)cc2)c1C ZINC000419832203 563251459 /nfs/dbraw/zinc/25/14/59/563251459.db2.gz VJTMSYXJLCWIEL-ZWKOTPCHSA-N 1 0 396.329 2.863 20 0 GFADRO C[C@@H]1C[N@H+](CCCNC(=O)Cc2cscc2Br)CCCO1 ZINC000295515363 563251919 /nfs/dbraw/zinc/25/19/19/563251919.db2.gz ZNJMNBLXFKEJLP-GFCCVEGCSA-N 1 0 375.332 2.670 20 0 GFADRO O=S(=O)(c1ccc(Cl)s1)N1CCC[N@H+](C[C@@H]2CCSC2)CC1 ZINC000278394529 563253522 /nfs/dbraw/zinc/25/35/22/563253522.db2.gz FAYARKQUIKLQBY-LBPRGKRZSA-N 1 0 380.988 2.851 20 0 GFADRO O=C(Cc1cccc(Br)c1)NC[C@H]1CCC[C@H]1[NH+]1CCOCC1 ZINC000370752704 563254010 /nfs/dbraw/zinc/25/40/10/563254010.db2.gz HRTWSVKZNDQEME-NVXWUHKLSA-N 1 0 381.314 2.609 20 0 GFADRO C[NH+](C)CC[C@](C)(O)CNC(=O)c1cc(Cl)c(F)cc1Br ZINC000419994348 563256072 /nfs/dbraw/zinc/25/60/72/563256072.db2.gz JDJMLNHDLJRGFC-AWEZNQCLSA-N 1 0 381.673 2.674 20 0 GFADRO C[C@@H]1C[N@H+](CCCNC(=O)C(=O)Nc2ccc(Cl)cc2Cl)CCCO1 ZINC000278447771 563256582 /nfs/dbraw/zinc/25/65/82/563256582.db2.gz UEBOSATVJAHPTE-GFCCVEGCSA-N 1 0 388.295 2.549 20 0 GFADRO Cc1ncsc1CCS(=O)(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000295662743 563256821 /nfs/dbraw/zinc/25/68/21/563256821.db2.gz ILSHLOKXBFKWAU-HNNXBMFYSA-N 1 0 399.607 2.887 20 0 GFADRO C[C@H](c1ccccc1Br)N(C)C(=O)C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000420012985 563256896 /nfs/dbraw/zinc/25/68/96/563256896.db2.gz BJJVIPOHITYFOJ-XJKCOSOUSA-N 1 0 396.329 2.602 20 0 GFADRO C[NH+](C)C1(CNC(=O)C(=O)Nc2ccc(Br)cn2)CCCCCC1 ZINC000278462389 563256978 /nfs/dbraw/zinc/25/69/78/563256978.db2.gz YISGXJJESGEUOC-UHFFFAOYSA-N 1 0 397.317 2.553 20 0 GFADRO C[C@H](c1ccccc1Br)N(C)C(=O)C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000420050116 563257568 /nfs/dbraw/zinc/25/75/68/563257568.db2.gz GZSMMYXTXWQPSN-MLGOLLRUSA-N 1 0 396.329 2.602 20 0 GFADRO CSCc1noc(CCC(=O)NC2CC[NH+](Cc3cccs3)CC2)n1 ZINC000370832841 563257686 /nfs/dbraw/zinc/25/76/86/563257686.db2.gz IGRAMMDRRUZBIL-UHFFFAOYSA-N 1 0 380.539 2.708 20 0 GFADRO O=C1[C@H](N[C@H]2CC[N@@H+]3CCC[C@H]3C2)CCN1c1cccc(Br)c1 ZINC000278486492 563257828 /nfs/dbraw/zinc/25/78/28/563257828.db2.gz PDCPVTZCLYKCIZ-YQQAZPJKSA-N 1 0 378.314 2.771 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)N1CCC[C@@H]([C@H](O)C(F)(F)F)C1)c1ccsc1 ZINC000278492417 563258910 /nfs/dbraw/zinc/25/89/10/563258910.db2.gz YYRJNHNEZXVEKN-BNOWGMLFSA-N 1 0 379.448 2.696 20 0 GFADRO FC(F)(F)c1ccc(I)c(N2CC[C@@H]3C[NH2+]C[C@@H]3C2)n1 ZINC000420266379 563260922 /nfs/dbraw/zinc/26/09/22/563260922.db2.gz VZIRYAPTZCXDMI-RKDXNWHRSA-N 1 0 397.182 2.751 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H](CNc2ncnc3cccc(I)c32)C1 ZINC000420294831 563262188 /nfs/dbraw/zinc/26/21/88/563262188.db2.gz ZPGXMLZMDRFUNJ-GHMZBOCLSA-N 1 0 382.249 3.164 20 0 GFADRO C[C@@H]1[C@@H](CC(F)(F)F)C[C@H](C)[N@H+]1CCOc1ccc(S(N)(=O)=O)cc1 ZINC000295787425 563262290 /nfs/dbraw/zinc/26/22/90/563262290.db2.gz UWAPETDUQDIPSL-YNEHKIRRSA-N 1 0 380.432 2.764 20 0 GFADRO C[N@H+]1C[C@H]2CN(Cc3ncc(Br)cc3Br)C[C@H]2C1 ZINC000278605724 563263593 /nfs/dbraw/zinc/26/35/93/563263593.db2.gz JDQSMHUTWWGVCE-AOOOYVTPSA-N 1 0 375.108 2.600 20 0 GFADRO COCCOc1c(Cl)cc(S(=O)(=O)N[C@@H](C[NH3+])C(C)(C)C)cc1Cl ZINC000420449168 563263894 /nfs/dbraw/zinc/26/38/94/563263894.db2.gz MTJXTWOWTAKNCC-ZDUSSCGKSA-N 1 0 399.340 2.670 20 0 GFADRO O=S(=O)(Cc1cccc(C(F)(F)F)c1)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420465410 563264515 /nfs/dbraw/zinc/26/45/15/563264515.db2.gz QCBUOADBTMQRLX-ZBFHGGJFSA-N 1 0 376.444 2.999 20 0 GFADRO CSc1ccc(S(=O)(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)cc1 ZINC000420459202 563264547 /nfs/dbraw/zinc/26/45/47/563264547.db2.gz KAQBXPFYQKMMEI-QZTJIDSGSA-N 1 0 380.510 2.972 20 0 GFADRO [NH3+]CC[C@@H](NS(=O)(=O)c1cc(Cl)ccc1OCC1CCC1)C(F)F ZINC000420465936 563264596 /nfs/dbraw/zinc/26/45/96/563264596.db2.gz QYTOCXPVPXUBKE-GFCCVEGCSA-N 1 0 382.860 2.780 20 0 GFADRO Cc1cc(F)c(Br)cc1S(=O)(=O)N1C[C@H]([NH3+])Cc2ccccc21 ZINC000420472789 563265197 /nfs/dbraw/zinc/26/51/97/563265197.db2.gz DXOHVIXKIFNXAT-GFCCVEGCSA-N 1 0 399.285 2.975 20 0 GFADRO Cc1cccc(S(=O)(=O)N2CCCC[C@H]2[C@H]2CC[NH2+]C2)c1Br ZINC000420471652 563265212 /nfs/dbraw/zinc/26/52/12/563265212.db2.gz YINRAAAIBMBRAR-KBPBESRZSA-N 1 0 387.343 2.910 20 0 GFADRO C[C@@H]1CCN(S(=O)(=O)c2cc(Cl)c(Br)cc2F)C[C@H]1C[NH3+] ZINC000420485259 563266202 /nfs/dbraw/zinc/26/62/02/563266202.db2.gz ZKRNQNLNGWJARK-RKDXNWHRSA-N 1 0 399.713 2.847 20 0 GFADRO C[C@@H]1CN(C(=O)c2ccc(Br)s2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000371219995 563269036 /nfs/dbraw/zinc/26/90/36/563269036.db2.gz OJEGDMHWYORAIR-CHWSQXEVSA-N 1 0 386.359 2.609 20 0 GFADRO C[C@H]1C[C@@H](N(C)C(=O)c2ccc(I)cc2F)CC[N@@H+]1C ZINC000295958720 563269517 /nfs/dbraw/zinc/26/95/17/563269517.db2.gz UYWTWRZZFHOQIU-JQWIXIFHSA-N 1 0 390.240 2.985 20 0 GFADRO O=C1C[C@H]([C@H]2CCCC[N@H+]2Cc2nnc(-c3ccc(Br)o3)o2)CN1 ZINC000371298578 563271587 /nfs/dbraw/zinc/27/15/87/563271587.db2.gz XGKROLIABPQMDQ-WDEREUQCSA-N 1 0 395.257 2.583 20 0 GFADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)Nc1ccc(Br)nc1 ZINC000278819306 563272173 /nfs/dbraw/zinc/27/21/73/563272173.db2.gz IILABOINTJTITB-LBPRGKRZSA-N 1 0 383.290 2.561 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2cc(F)ccc2OC(F)F)C[C@@H]1C ZINC000420673934 563272416 /nfs/dbraw/zinc/27/24/16/563272416.db2.gz MHNPICBUKHPEGU-AAEUAGOBSA-N 1 0 380.432 2.920 20 0 GFADRO CC[NH+]1CCC(N(C2CC2)S(=O)(=O)c2c[nH]c3nccc(Cl)c23)CC1 ZINC000371310706 563272594 /nfs/dbraw/zinc/27/25/94/563272594.db2.gz NZPZOZWKQLICDQ-UHFFFAOYSA-N 1 0 382.917 2.854 20 0 GFADRO C[C@H](Cc1cccc(Br)c1)NC(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000278980214 563278758 /nfs/dbraw/zinc/27/87/58/563278758.db2.gz JWQNCEVQQBZSIN-YPMHNXCESA-N 1 0 377.286 2.610 20 0 GFADRO COCc1c(Br)cccc1NC(=O)c1cc([C@@H]2CC[NH2+]C2)[nH]n1 ZINC000278986334 563278908 /nfs/dbraw/zinc/27/89/08/563278908.db2.gz KNXXJLPIUSUJKY-SNVBAGLBSA-N 1 0 379.258 2.648 20 0 GFADRO COc1cc(Cl)c(S(=O)(=O)N(C)C2CC[NH+](C(C)C)CC2)cc1OC ZINC000279011316 563280188 /nfs/dbraw/zinc/28/01/88/563280188.db2.gz AHUWQGZYEQYPQF-UHFFFAOYSA-N 1 0 390.933 2.851 20 0 GFADRO O=S1(=O)CC[C@@](O)(CN[C@H](c2ccc(F)cc2)c2ccccc2Cl)C1 ZINC000296239329 563280529 /nfs/dbraw/zinc/28/05/29/563280529.db2.gz CLTSVFOLGIJSOU-QZTJIDSGSA-N 1 0 383.872 2.708 20 0 GFADRO CN(C[C@H]1CCC[N@@H+]1C)S(=O)(=O)c1ccc(Cl)cc1Br ZINC000420737805 563280862 /nfs/dbraw/zinc/28/08/62/563280862.db2.gz MXFCVGBUQGSEJT-LLVKDONJSA-N 1 0 381.723 2.817 20 0 GFADRO CCn1cc([C@@H](C)[NH2+]CC(=O)N(C)Cc2ccccc2Br)cn1 ZINC000296278418 563281896 /nfs/dbraw/zinc/28/18/96/563281896.db2.gz YPSJCXMIHGDMDM-CYBMUJFWSA-N 1 0 379.302 2.975 20 0 GFADRO CC[C@H]([NH2+][C@H](C)c1ccc(S(=O)(=O)C(F)F)c(OC)c1)[C@H](O)C(F)F ZINC000296284007 563282275 /nfs/dbraw/zinc/28/22/75/563282275.db2.gz FDEUICZZFOLJNA-DVYJOKAKSA-N 1 0 387.395 2.747 20 0 GFADRO COc1cc(Cl)c(S(=O)(=O)NC2CCC([NH+](C)C)CC2)cc1OC ZINC000420752173 563283480 /nfs/dbraw/zinc/28/34/80/563283480.db2.gz XWDXXAPNNQVSQM-UHFFFAOYSA-N 1 0 376.906 2.508 20 0 GFADRO Cc1ccc([C@@H](C[NH2+]Cc2c(Br)c(C)nn2C)N2CCOCC2)o1 ZINC000279090167 563283892 /nfs/dbraw/zinc/28/38/92/563283892.db2.gz IEUXCUDYVUJVBQ-CQSZACIVSA-N 1 0 397.317 2.556 20 0 GFADRO O=C(Nc1ccc(F)c(Br)c1)C(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000296334672 563283974 /nfs/dbraw/zinc/28/39/74/563283974.db2.gz YIWNGGLVIBMMOX-UHFFFAOYSA-N 1 0 398.276 2.660 20 0 GFADRO CCC[C@H]1C(=O)NCCN1C(=O)C1CC[NH+](Cc2ccc(Cl)s2)CC1 ZINC000371665425 563284657 /nfs/dbraw/zinc/28/46/57/563284657.db2.gz MLAKZVXPEFAUNR-HNNXBMFYSA-N 1 0 383.945 2.741 20 0 GFADRO O=C(Nc1cc(Br)ccc1F)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000371660639 563284749 /nfs/dbraw/zinc/28/47/49/563284749.db2.gz RVMVSSXIBZUZPA-CABCVRRESA-N 1 0 386.265 2.651 20 0 GFADRO CC(C)[NH+]1CCC(N(C)S(=O)(=O)c2ccc(OC(F)F)c(F)c2)CC1 ZINC000279124300 563285238 /nfs/dbraw/zinc/28/52/38/563285238.db2.gz UXSSZXUUQNOBNS-UHFFFAOYSA-N 1 0 380.432 2.920 20 0 GFADRO CNS(=O)(=O)c1ccc([C@H](C)NCc2cnc(Br)s2)cc1 ZINC000296447380 563287015 /nfs/dbraw/zinc/28/70/15/563287015.db2.gz ZZLYKVZMZUYIOF-VIFPVBQESA-N 1 0 390.328 2.665 20 0 GFADRO Cc1nn(C)c(CNc2cccc(CN3CC[NH+](C)CC3)c2)c1Br ZINC000279239251 563288644 /nfs/dbraw/zinc/28/86/44/563288644.db2.gz ZSHRACVJIRPUHC-UHFFFAOYSA-N 1 0 392.345 2.851 20 0 GFADRO CN(Cc1cc(Br)cs1)C(=O)C[NH2+][C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000296489395 563289391 /nfs/dbraw/zinc/28/93/91/563289391.db2.gz YSKFAFVHORDFCE-NWANDNLSSA-N 1 0 387.343 2.872 20 0 GFADRO O=C(c1ccc(Cl)cc1Cl)N1CC[NH+](C[C@H]2CCNC(=O)CC2)CC1 ZINC000296504274 563290080 /nfs/dbraw/zinc/29/00/80/563290080.db2.gz LSXSJXHDIZRLBC-CYBMUJFWSA-N 1 0 384.307 2.668 20 0 GFADRO CC(C)[NH+]1CCC(NC(=O)CN2CCc3c2cccc3Br)CC1 ZINC000420979530 563292176 /nfs/dbraw/zinc/29/21/76/563292176.db2.gz ZFQNAZLPMSSFHO-UHFFFAOYSA-N 1 0 380.330 2.801 20 0 GFADRO COC1([C@@H](C)[NH2+]C[C@@H](O)COc2ccc(Cl)cc2Cl)CCOCC1 ZINC000421031899 563294131 /nfs/dbraw/zinc/29/41/31/563294131.db2.gz KQPIGPJZWPFDKZ-TZMCWYRMSA-N 1 0 378.296 2.907 20 0 GFADRO O=C(NCc1noc(-c2cccc(Br)c2)n1)[C@H]1CCC[N@@H+]1C1CC1 ZINC000279441162 563296395 /nfs/dbraw/zinc/29/63/95/563296395.db2.gz DIBNANUEQJPTLJ-CQSZACIVSA-N 1 0 391.269 2.742 20 0 GFADRO O=C(NCCc1ccccc1Br)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC000279485026 563298103 /nfs/dbraw/zinc/29/81/03/563298103.db2.gz MVAHWSBVBMKVCT-QGZVFWFLSA-N 1 0 381.314 2.751 20 0 GFADRO COc1cc(Br)c(C[NH2+]C[C@H]2CCCN(C(C)=O)C2)c(OC)c1 ZINC000279634298 563303880 /nfs/dbraw/zinc/30/38/80/563303880.db2.gz CFWIZCFTMLKMNO-CYBMUJFWSA-N 1 0 385.302 2.814 20 0 GFADRO Cc1ccc(Br)c(NC(=O)C(=O)NC2CCC([NH+](C)C)CC2)c1 ZINC000421287426 563305150 /nfs/dbraw/zinc/30/51/50/563305150.db2.gz IJGFQVZWMMFNMB-UHFFFAOYSA-N 1 0 382.302 2.685 20 0 GFADRO [NH3+][C@@H]1CN(C(=O)c2ccncc2Br)CC[C@H]1c1ccc(F)cc1 ZINC000296858611 563305390 /nfs/dbraw/zinc/30/53/90/563305390.db2.gz DDMKEXOPSXLHRZ-XJKSGUPXSA-N 1 0 378.245 2.940 20 0 GFADRO Cc1nc2ccc(Br)cn2c1C(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000279716271 563307325 /nfs/dbraw/zinc/30/73/25/563307325.db2.gz AWVYDLXAVHXXEW-SMDDNHRTSA-N 1 0 379.302 2.960 20 0 GFADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2c(C)nc3ccc(Br)cn32)C1 ZINC000279722392 563307615 /nfs/dbraw/zinc/30/76/15/563307615.db2.gz BNRSKPOAVGNJEC-ZDUSSCGKSA-N 1 0 379.302 2.819 20 0 GFADRO C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]CC1(S(C)(=O)=O)CCC1 ZINC000279843490 563312460 /nfs/dbraw/zinc/31/24/60/563312460.db2.gz RERCZGLIJBJQGO-AWEZNQCLSA-N 1 0 386.945 2.634 20 0 GFADRO CC(C)[NH+]1CCC(NC(=O)NCCCCn2cc(Br)cn2)CC1 ZINC000279873529 563313593 /nfs/dbraw/zinc/31/35/93/563313593.db2.gz HTBMRHOVCAMNSG-UHFFFAOYSA-N 1 0 386.338 2.598 20 0 GFADRO O=C(CC[NH+]1CCC(c2nnc[nH]2)CC1)Nc1cccc(Br)c1 ZINC000372680374 563314026 /nfs/dbraw/zinc/31/40/26/563314026.db2.gz LEIPOMDBFPCGLU-UHFFFAOYSA-N 1 0 378.274 2.775 20 0 GFADRO Cc1ccc(CC(=O)NC[C@H]2CCC[C@@H]2[NH+]2CCOCC2)cc1Br ZINC000372673540 563314096 /nfs/dbraw/zinc/31/40/96/563314096.db2.gz IWSWXEUAOVOBAN-AEFFLSMTSA-N 1 0 395.341 2.917 20 0 GFADRO O=C(NCCCC[N@H+]1CCC[C@@H]1CO)c1c(F)ccc(Br)c1F ZINC000279910164 563314564 /nfs/dbraw/zinc/31/45/64/563314564.db2.gz PPGHXFKCAJJMFN-LLVKDONJSA-N 1 0 391.256 2.694 20 0 GFADRO C[C@H]1C[N@H+](CCCNC(=O)N[C@H](c2nccs2)C(F)(F)F)CCCO1 ZINC000297072279 563314851 /nfs/dbraw/zinc/31/48/51/563314851.db2.gz UMIHJVQVHIYKLB-NWDGAFQWSA-N 1 0 380.436 2.547 20 0 GFADRO CC1CC[NH+](C[C@H]2CCCN(C(=O)c3ccc(S(C)(=O)=O)s3)C2)CC1 ZINC000421758918 563321327 /nfs/dbraw/zinc/32/13/27/563321327.db2.gz SNXGPSJPZKDDKD-OAHLLOKOSA-N 1 0 384.567 2.736 20 0 GFADRO Cc1nc2ccc(Br)cn2c1C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000280094588 563322132 /nfs/dbraw/zinc/32/21/32/563322132.db2.gz KINLISPADABLQM-AWEZNQCLSA-N 1 0 391.313 2.963 20 0 GFADRO Brc1cnc(C[NH2+][C@@H]2CCc3n[nH]cc3C2)c(Br)c1 ZINC000372903219 563322222 /nfs/dbraw/zinc/32/22/22/563322222.db2.gz HBQTUIFCHYAEDS-SNVBAGLBSA-N 1 0 386.091 2.977 20 0 GFADRO CN(C[C@H](O)c1ccccc1Br)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000297277074 563322493 /nfs/dbraw/zinc/32/24/93/563322493.db2.gz GJHZQYHKIXUWSW-IKGGRYGDSA-N 1 0 396.329 2.751 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CN[C@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000280182885 563326609 /nfs/dbraw/zinc/32/66/09/563326609.db2.gz RUNNUVFGRCVONM-GHMZBOCLSA-N 1 0 380.341 2.776 20 0 GFADRO COc1ccc2c(c1)[C@H]([NH3+])CCN2S(=O)(=O)c1cc(OC)ccc1Cl ZINC000373181386 563331455 /nfs/dbraw/zinc/33/14/55/563331455.db2.gz SJSOZYPOTIYEDU-OAHLLOKOSA-N 1 0 382.869 2.956 20 0 GFADRO C[C@H](NC(=O)N[C@H]1CCC[N@H+](CCCO)C1)c1ccc(Br)cc1 ZINC000297644512 563332000 /nfs/dbraw/zinc/33/20/00/563332000.db2.gz IAYHQMPRSRJVBW-BBRMVZONSA-N 1 0 384.318 2.656 20 0 GFADRO C[C@H]1OCC[C@@]12C[N@H+](CCC(=O)Nc1cccc(Br)c1)CCO2 ZINC000280375599 563334536 /nfs/dbraw/zinc/33/45/36/563334536.db2.gz JPPWITAUENFNHS-CXAGYDPISA-N 1 0 383.286 2.658 20 0 GFADRO O[C@]1(C2CC2)CC[N@H+](Cc2ccc(Br)cc2N2CCOCC2)C1 ZINC000373329498 563334748 /nfs/dbraw/zinc/33/47/48/563334748.db2.gz XZMXBPBVMMJEFP-GOSISDBHSA-N 1 0 381.314 2.633 20 0 GFADRO Cc1cc(Br)cn2cc(CNC(=O)[C@H]3CCC[N@@H+]3C3CC3)nc12 ZINC000280393378 563334968 /nfs/dbraw/zinc/33/49/68/563334968.db2.gz XYGDPKLPVRBMGR-OAHLLOKOSA-N 1 0 377.286 2.648 20 0 GFADRO CCS(=O)(=O)c1ccc(C[NH2+]C2CCN(Cc3ccncc3)CC2)s1 ZINC000373475667 563339339 /nfs/dbraw/zinc/33/93/39/563339339.db2.gz SGXMNPUCZCWOIK-UHFFFAOYSA-N 1 0 379.551 2.691 20 0 GFADRO CS(=O)(=O)c1cc(C(=O)N(C[C@@H]2CCC[NH2+]2)C2CC2)c(Cl)cc1Cl ZINC000373542164 563341280 /nfs/dbraw/zinc/34/12/80/563341280.db2.gz VOVNUYUGHGPXOC-JTQLQIEISA-N 1 0 391.320 2.754 20 0 GFADRO COc1cc(Br)c(S(=O)(=O)NC(C)(C)CC[NH3+])cc1Cl ZINC000422551183 563342645 /nfs/dbraw/zinc/34/26/45/563342645.db2.gz DALWFIYTEVYKOL-UHFFFAOYSA-N 1 0 385.711 2.517 20 0 GFADRO CC(C)(CC[NH3+])NC(=O)NCC1(c2ccc(Br)cc2)CCOCC1 ZINC000422593552 563344502 /nfs/dbraw/zinc/34/45/02/563344502.db2.gz GOXISKDPMBHYDW-UHFFFAOYSA-N 1 0 398.345 2.924 20 0 GFADRO C[C@@H]1C[N@H+](C[C@@H](O)COc2cc(Cl)ccc2Cl)C[C@]2(CCOC2)O1 ZINC000280648812 563347990 /nfs/dbraw/zinc/34/79/90/563347990.db2.gz YYDSMCKRHHIVQM-MRRJBJDNSA-N 1 0 376.280 2.613 20 0 GFADRO C[C@H]([NH3+])[C@H](Cc1ccccc1)NCC(=O)Nc1ccc(Br)cc1 ZINC000422697036 563348510 /nfs/dbraw/zinc/34/85/10/563348510.db2.gz TXVBELQXIBXDIE-GUYCJALGSA-N 1 0 376.298 2.936 20 0 GFADRO CCN(CC)S(=O)(=O)c1cc(NC(=O)[C@@H](C(C)C)[C@H](C)[NH3+])ccc1Cl ZINC000422922521 563350907 /nfs/dbraw/zinc/35/09/07/563350907.db2.gz TUCAHTINCMTTHZ-LRDDRELGSA-N 1 0 389.949 2.928 20 0 GFADRO C[C@H](C[C@H]1COCCN1)[NH2+]Cc1cc(Br)ccc1OC(F)F ZINC000422950197 563351525 /nfs/dbraw/zinc/35/15/25/563351525.db2.gz XIBJVMZGILGLMV-MFKMUULPSA-N 1 0 379.245 2.907 20 0 GFADRO COc1cc(Br)c(CN[C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)cc1OC ZINC000422948577 563351561 /nfs/dbraw/zinc/35/15/61/563351561.db2.gz SNKITSVVSGFMEA-NUEKZKHPSA-N 1 0 399.329 2.713 20 0 GFADRO Cc1nc2c(s1)CCC[C@H]2C[N@@H+](C)Cc1nn2c(nc(C)cc2=O)s1 ZINC000373802904 563352001 /nfs/dbraw/zinc/35/20/01/563352001.db2.gz BHLBWJFABAXTNV-LBPRGKRZSA-N 1 0 375.523 2.776 20 0 GFADRO CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000423009749 563352566 /nfs/dbraw/zinc/35/25/66/563352566.db2.gz DREQISODBVZCTM-UHFFFAOYSA-N 1 0 383.945 2.741 20 0 GFADRO Brc1ccc2[nH]cc(CC[NH2+][C@H](C3CC3)[C@@H]3CNCCO3)c2c1 ZINC000423034265 563353180 /nfs/dbraw/zinc/35/31/80/563353180.db2.gz PQSCFEDZNQDMBD-ZWKOTPCHSA-N 1 0 378.314 2.830 20 0 GFADRO COC[C@]1(C(=O)NCC2(c3ccc(Br)cc3)CCC2)CC[NH2+]C1 ZINC000423058888 563353958 /nfs/dbraw/zinc/35/39/58/563353958.db2.gz KOFJZZNMCCHVEQ-SFHVURJKSA-N 1 0 381.314 2.613 20 0 GFADRO O=S(=O)(c1c(Cl)cc(F)cc1Br)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000373886477 563354287 /nfs/dbraw/zinc/35/42/87/563354287.db2.gz SYSNQPXOFZZUEC-PRHODGIISA-N 1 0 397.697 2.614 20 0 GFADRO C[C@H]([NH2+][C@@H](C)C1CCOCC1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000280808533 563355255 /nfs/dbraw/zinc/35/52/55/563355255.db2.gz VKJGBBKMIOTZDW-QWRGUYRKSA-N 1 0 391.331 2.562 20 0 GFADRO CC(C)[C@H](CNC(=O)COc1c(Cl)cccc1Cl)[NH+]1CCN(C)CC1 ZINC000298450684 563355976 /nfs/dbraw/zinc/35/59/76/563355976.db2.gz JSAOUFCBCMAVLH-INIZCTEOSA-N 1 0 388.339 2.760 20 0 GFADRO COc1ccc(C[C@@H](CO)C[NH2+][C@H](C)c2cnccc2N)cc1Br ZINC000423153895 563356976 /nfs/dbraw/zinc/35/69/76/563356976.db2.gz IJYNUJVPOYDEAN-TZMCWYRMSA-N 1 0 394.313 2.767 20 0 GFADRO C[C@H](C[C@@H]1COCCN1)[NH2+]C1CCN(Cc2cccc(Br)c2)CC1 ZINC000423188854 563358587 /nfs/dbraw/zinc/35/85/87/563358587.db2.gz QQVJGXMGFNHKDK-DNVCBOLYSA-N 1 0 396.373 2.770 20 0 GFADRO CCOC(C)(C)C[NH2+][C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000280891116 563359375 /nfs/dbraw/zinc/35/93/75/563359375.db2.gz DKRDVLSQLIHTDZ-JTQLQIEISA-N 1 0 379.320 2.562 20 0 GFADRO COC(=O)C[C@H]([NH3+])C(=O)NCC1(c2ccc(Br)cc2)CCCCC1 ZINC000423219227 563359371 /nfs/dbraw/zinc/35/93/71/563359371.db2.gz SXXLDXOQZBCIAI-HNNXBMFYSA-N 1 0 397.313 2.658 20 0 GFADRO CC(C)C(=O)NC1CC[NH+](C[C@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000298581380 563361170 /nfs/dbraw/zinc/36/11/70/563361170.db2.gz VFOZDKIBGRNIFJ-HNNXBMFYSA-N 1 0 389.323 2.970 20 0 GFADRO CCn1ccnc1[C@H](N[C@@H](C)[C@H](C)[NH3+])c1ccc(I)cc1 ZINC000423447969 563361267 /nfs/dbraw/zinc/36/12/67/563361267.db2.gz PKLCGFUJIICESP-SLEUVZQESA-N 1 0 398.292 2.922 20 0 GFADRO C[C@@H](N[C@@H](C[NH3+])C1CCCC1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000423510934 563361277 /nfs/dbraw/zinc/36/12/77/563361277.db2.gz SXLUGBQENQYSGL-OTYXRUKQSA-N 1 0 380.341 2.809 20 0 GFADRO COC[C@@]1(CN[C@H](C)c2ccc(F)c(I)c2)CCC[NH2+]1 ZINC000423418001 563361505 /nfs/dbraw/zinc/36/15/05/563361505.db2.gz TYFMNMISHHAFMZ-ABAIWWIYSA-N 1 0 392.256 2.850 20 0 GFADRO [NH2+]=C(NO)[C@@H]1CCCCN1Cc1nnc(-c2ccccc2Br)o1 ZINC000374176217 563364430 /nfs/dbraw/zinc/36/44/30/563364430.db2.gz QTWGYXPUXJWLOM-LBPRGKRZSA-N 1 0 380.246 2.810 20 0 GFADRO C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1NC(=O)N1CCC=C(Br)C1 ZINC000374244099 563365947 /nfs/dbraw/zinc/36/59/47/563365947.db2.gz LKDKDVWVFRYPGM-VNQPRFMTSA-N 1 0 386.334 2.570 20 0 GFADRO CC(C)C[C@@H](Cc1cccc(Br)c1)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000423990619 563366620 /nfs/dbraw/zinc/36/66/20/563366620.db2.gz KNBQTFLJQVTLDS-DOTOQJQBSA-N 1 0 383.330 2.759 20 0 GFADRO CN(C(=O)c1ccc(Br)cc1O)C1CC[NH+](C2CCOCC2)CC1 ZINC000374268581 563366781 /nfs/dbraw/zinc/36/67/81/563366781.db2.gz GRXKWCXQKLBMLC-UHFFFAOYSA-N 1 0 397.313 2.870 20 0 GFADRO [NH3+]Cc1cn([C@H]2CCCN(C(=O)c3ccc(Cl)c(Br)c3)C2)nn1 ZINC000424006550 563366806 /nfs/dbraw/zinc/36/68/06/563366806.db2.gz UKCLEKXAVLBJPC-LBPRGKRZSA-N 1 0 398.692 2.630 20 0 GFADRO C[C@@H]1CCN(C(=O)c2cnn(-c3cccc(Br)c3)c2)C[C@H]1C[NH3+] ZINC000424000535 563367184 /nfs/dbraw/zinc/36/71/84/563367184.db2.gz BSYWTPBRSLRHAZ-CHWSQXEVSA-N 1 0 377.286 2.692 20 0 GFADRO CS[C@H]1CN(C(=O)c2nc(Br)sc2C)C[C@@H]1[NH+]1CCCC1 ZINC000298829774 563367663 /nfs/dbraw/zinc/36/76/63/563367663.db2.gz CFJMRVILNSAUCW-QWRGUYRKSA-N 1 0 390.372 2.866 20 0 GFADRO COc1ccccc1[C@H]1CN(C(=O)c2cccc(Br)n2)CCN1 ZINC000374336135 563368361 /nfs/dbraw/zinc/36/83/61/563368361.db2.gz CGTHRVSXQGBTOE-CQSZACIVSA-N 1 0 376.254 2.639 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+]C[C@H]1CCN(C)C(=O)C1 ZINC000424188438 563372353 /nfs/dbraw/zinc/37/23/53/563372353.db2.gz LGLRGZXMYCDPII-AWEZNQCLSA-N 1 0 391.313 2.901 20 0 GFADRO C[C@@H]1CC2(CN1C(=O)COc1ccc(F)cc1Br)CC[NH2+]CC2 ZINC000424228600 563374502 /nfs/dbraw/zinc/37/45/02/563374502.db2.gz XGLOMBUQSKJRSD-GFCCVEGCSA-N 1 0 385.277 2.958 20 0 GFADRO O=C(CC[N@@H+]1CCC[C@@H](c2nnc[nH]2)C1)Nc1ccc(Br)cc1 ZINC000374541431 563375541 /nfs/dbraw/zinc/37/55/41/563375541.db2.gz NLXRNGYMNIGVML-GFCCVEGCSA-N 1 0 378.274 2.775 20 0 GFADRO [NH3+]C1(c2noc(CNC(=O)c3ccc(Br)cc3)n2)CCCCC1 ZINC000424349851 563375862 /nfs/dbraw/zinc/37/58/62/563375862.db2.gz RUJREQQHXWNYTK-UHFFFAOYSA-N 1 0 379.258 2.880 20 0 GFADRO CCCn1c(C)nnc1CN1CCC(Cn2cc(Br)cn2)CC1 ZINC000374648438 563378705 /nfs/dbraw/zinc/37/87/05/563378705.db2.gz QFSAFFFSGJKCSL-UHFFFAOYSA-N 1 0 381.322 2.868 20 0 GFADRO CO[C@H]1CCC[N@H+](CC(=O)Nc2ccc(I)cc2)CC1 ZINC000374643113 563378721 /nfs/dbraw/zinc/37/87/21/563378721.db2.gz DUIGAGQJCYTXAQ-AWEZNQCLSA-N 1 0 388.249 2.731 20 0 GFADRO Cc1cc(NC(=O)C(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)cc(F)c1Br ZINC000299278908 563379935 /nfs/dbraw/zinc/37/99/35/563379935.db2.gz MXJLMSZCHSRJQE-CMPLNLGQSA-N 1 0 398.276 2.577 20 0 GFADRO CC(C)[NH+]1CCC(N(C)C(=O)CN2C(=S)N=NC2c2cccs2)CC1 ZINC000299303150 563380833 /nfs/dbraw/zinc/38/08/33/563380833.db2.gz GHMXHCRHUPRPEZ-UHFFFAOYSA-N 1 0 379.555 2.627 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)NCc1noc(-c2cccs2)n1)c1ccsc1 ZINC000299288033 563380838 /nfs/dbraw/zinc/38/08/38/563380838.db2.gz BEUKYZCXLYKWLW-LBPRGKRZSA-N 1 0 377.495 2.962 20 0 GFADRO Cc1oc(Br)cc1C(=O)Nc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000424573644 563382098 /nfs/dbraw/zinc/38/20/98/563382098.db2.gz ZJABQLQETSYZLP-UHFFFAOYSA-N 1 0 379.258 2.750 20 0 GFADRO COc1ncc(C(=O)NCc2ccc(F)c(C[NH+](C)C)c2)cc1Br ZINC000424659205 563385693 /nfs/dbraw/zinc/38/56/93/563385693.db2.gz APFNBZKNNJTWKO-UHFFFAOYSA-N 1 0 396.260 2.983 20 0 GFADRO C[N@@H+]1CC[C@H]2CCN(Cc3noc(Cc4ccc(Br)cc4)n3)C[C@H]21 ZINC000375028104 563387696 /nfs/dbraw/zinc/38/76/96/563387696.db2.gz BROAIPXJLXZTQL-GOEBONIOSA-N 1 0 391.313 2.949 20 0 GFADRO C[N@@H+]1CC[C@@H]2CCN([C@H]3CC(=O)N(c4cccc(Cl)c4Cl)C3=O)C[C@@H]21 ZINC000375052535 563388926 /nfs/dbraw/zinc/38/89/26/563388926.db2.gz CMPXCTQQFAFCEO-UGFHNGPFSA-N 1 0 382.291 2.651 20 0 GFADRO C[C@@H]1C[N@@H+](C2CCN(Cc3nc4ccccn4c3Br)CC2)CCO1 ZINC000375082148 563389748 /nfs/dbraw/zinc/38/97/48/563389748.db2.gz RBDGCDJBMWNTTO-CQSZACIVSA-N 1 0 393.329 2.782 20 0 GFADRO C[C@@H]1C[N@@H+](CCCNC(=O)c2cc(Br)cnc2Cl)C[C@H](C)O1 ZINC000299705199 563390234 /nfs/dbraw/zinc/39/02/34/563390234.db2.gz ZCLZKFFUKBZSNP-PHIMTYICSA-N 1 0 390.709 2.727 20 0 GFADRO CC(C)(C)OC(=O)Nc1ncc(C[NH2+]CC2(S(C)(=O)=O)CCC2)s1 ZINC000281916152 563390484 /nfs/dbraw/zinc/39/04/84/563390484.db2.gz GNPKRIIAFIAUNQ-UHFFFAOYSA-N 1 0 375.516 2.547 20 0 GFADRO Cc1oc(Br)cc1C(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000424758415 563390746 /nfs/dbraw/zinc/39/07/46/563390746.db2.gz JICODPAXHCIRHJ-OAHLLOKOSA-N 1 0 393.281 2.847 20 0 GFADRO [NH3+]CC[C@@H]1CCCN(C(=O)Cc2csc(NC(=O)c3cccs3)n2)C1 ZINC000281951557 563391892 /nfs/dbraw/zinc/39/18/92/563391892.db2.gz MBIZZYLQIPQISI-LBPRGKRZSA-N 1 0 378.523 2.587 20 0 GFADRO Cn1nc(Br)c2c1ncnc2NC[C@@H](c1cccc(F)c1)[NH+](C)C ZINC000301156444 563394494 /nfs/dbraw/zinc/39/44/94/563394494.db2.gz NLWWLIFLUWEFHZ-LBPRGKRZSA-N 1 0 393.264 2.980 20 0 GFADRO Cc1cc(Br)c(F)cc1NC(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000375223958 563395923 /nfs/dbraw/zinc/39/59/23/563395923.db2.gz HOXVEPAKJKIBAS-NEPJUHHUSA-N 1 0 386.265 2.881 20 0 GFADRO [NH3+][C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCN(c2cc(Cl)ccc2Cl)C1=O ZINC000375252418 563397615 /nfs/dbraw/zinc/39/76/15/563397615.db2.gz HWABLHNIZANWFQ-XJFOESAGSA-N 1 0 382.291 2.827 20 0 GFADRO Cc1nc(CO[C@H]2CCN(CC(=O)N3CCc4sccc4C3)C2)cs1 ZINC000375387702 563402833 /nfs/dbraw/zinc/40/28/33/563402833.db2.gz AZNSUSZYMROZEZ-INIZCTEOSA-N 1 0 377.535 2.689 20 0 GFADRO O[C@H](C[N@@H+]1CCC[C@@H](CN2CCOCC2)C1)c1ccc(Br)cc1 ZINC000282240061 563402900 /nfs/dbraw/zinc/40/29/00/563402900.db2.gz PVVSHVKUIJFROY-MAUKXSAKSA-N 1 0 383.330 2.527 20 0 GFADRO CC(=O)c1cc(Br)ccc1OCC(=O)N1CCC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000425070263 563403708 /nfs/dbraw/zinc/40/37/08/563403708.db2.gz WHELVJRIPNJCKA-XJKSGUPXSA-N 1 0 395.297 2.583 20 0 GFADRO Cc1cn2c(n1)CC[C@@H]([NH2+][C@@H]1CCN(c3cccc(Br)c3)C1=O)C2 ZINC000375411879 563404087 /nfs/dbraw/zinc/40/40/87/563404087.db2.gz AEIFTEQGUXMPLX-GDBMZVCRSA-N 1 0 389.297 2.664 20 0 GFADRO O=C(N[C@@H]1CCOc2c(Br)cccc21)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000282428282 563411478 /nfs/dbraw/zinc/41/14/78/563411478.db2.gz JEXGBPWDFZZACG-CZUORRHYSA-N 1 0 392.297 2.928 20 0 GFADRO O=S(=O)(C1CC1)N1CCC([NH2+]Cc2cscc2Br)CC1 ZINC000375738870 563417134 /nfs/dbraw/zinc/41/71/34/563417134.db2.gz UHSFZUFNUPMHMO-UHFFFAOYSA-N 1 0 379.345 2.557 20 0 GFADRO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(c2cncc(Br)c2)CC1 ZINC000301974215 563417341 /nfs/dbraw/zinc/41/73/41/563417341.db2.gz BPZYMFNYFKJUQH-UHFFFAOYSA-N 1 0 397.361 2.765 20 0 GFADRO CS[C@H]1CC[C@H]1[NH2+]CCNS(=O)(=O)c1cc(C)ccc1Br ZINC000425389177 563419579 /nfs/dbraw/zinc/41/95/79/563419579.db2.gz XKFVCJKASCOMLN-OLZOCXBDSA-N 1 0 393.372 2.519 20 0 GFADRO CC[C@H]1CN(c2ccnc3cc(Br)cnc32)CC[N@@H+]1C[C@@H](C)O ZINC000302080275 563419633 /nfs/dbraw/zinc/41/96/33/563419633.db2.gz BPOTZEQPXXKNDZ-OCCSQVGLSA-N 1 0 379.302 2.674 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+][C@@H](C)C(=O)NCCF ZINC000282681149 563420501 /nfs/dbraw/zinc/42/05/01/563420501.db2.gz NMLUIDIKKXLURL-LBPRGKRZSA-N 1 0 383.265 2.507 20 0 GFADRO Cc1ccc(I)cc1NC(=O)C[C@H]1CSCC[NH2+]1 ZINC000302362997 563424703 /nfs/dbraw/zinc/42/47/03/563424703.db2.gz YIPKBJXJOWCVIK-NSHDSACASA-N 1 0 376.263 2.633 20 0 GFADRO COc1ccc([C@H](C)[NH2+]CC2(OCCO)CCOCC2)cc1Br ZINC000282788388 563424803 /nfs/dbraw/zinc/42/48/03/563424803.db2.gz QADKHLCEKSMSSR-ZDUSSCGKSA-N 1 0 388.302 2.666 20 0 GFADRO CN(CC(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)cc1)C(=O)c1cccs1 ZINC000282852674 563427167 /nfs/dbraw/zinc/42/71/67/563427167.db2.gz LRSMKRXNWNGSBE-HNNXBMFYSA-N 1 0 379.913 2.893 20 0 GFADRO O=C(N[C@@H]1COc2c1ccc(Cl)c2Cl)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000376071019 563428272 /nfs/dbraw/zinc/42/82/72/563428272.db2.gz UQUMCPBPYCERGG-QMTHXVAHSA-N 1 0 381.263 2.978 20 0 GFADRO COc1ccc(Br)cc1CNC(=O)N1CC[C@@H]2CC[N@H+](C)[C@H]2C1 ZINC000376166886 563432225 /nfs/dbraw/zinc/43/22/25/563432225.db2.gz OMKMLRIJSSUZMP-WFASDCNBSA-N 1 0 382.302 2.693 20 0 GFADRO O=C(Nc1cc(Cl)ccc1OC(F)F)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000425714805 563432574 /nfs/dbraw/zinc/43/25/74/563432574.db2.gz PLYLJSFAQUPHSU-GFCCVEGCSA-N 1 0 377.819 2.910 20 0 GFADRO O=C(NCC[N@@H+]1CCCOCC1)Nc1cccc(Br)c1Cl ZINC000283027647 563433228 /nfs/dbraw/zinc/43/32/28/563433228.db2.gz IBAYPCGDFHTXIM-UHFFFAOYSA-N 1 0 376.682 2.946 20 0 GFADRO Cc1cc(NC(=O)[C@@H]2C[C@]23CC[NH2+]C3)n(-c2cccc(Br)c2)n1 ZINC000376245545 563434264 /nfs/dbraw/zinc/43/42/64/563434264.db2.gz SHYUAPSLRNHHNC-YOEHRIQHSA-N 1 0 375.270 2.881 20 0 GFADRO COC(=O)c1ccc(Br)cc1CN1CCC([N@H+](C)CCCO)CC1 ZINC000283128031 563436247 /nfs/dbraw/zinc/43/62/47/563436247.db2.gz NGTLDYDZCRHVLB-UHFFFAOYSA-N 1 0 399.329 2.514 20 0 GFADRO COC(=O)C[C@@H](NC(=O)C[C@H]1CCC[NH2+]CC1)c1ccc(Br)cc1 ZINC000376333674 563437873 /nfs/dbraw/zinc/43/78/73/563437873.db2.gz NSKNGJWYPNBJNK-XJKSGUPXSA-N 1 0 397.313 2.949 20 0 GFADRO Cc1nc(NC[C@H]2CCC[N@H+](C)[C@@H]2c2cnn(C)c2)ccc1Br ZINC000376357282 563439462 /nfs/dbraw/zinc/43/94/62/563439462.db2.gz XKRFFOVCELSFSH-DYVFJYSZSA-N 1 0 378.318 3.381 20 0 GFADRO CCOc1ccc(Br)cc1S(=O)(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000316237402 563441713 /nfs/dbraw/zinc/44/17/13/563441713.db2.gz PQTHAGAINRHBJM-NEPJUHHUSA-N 1 0 391.331 2.596 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+][C@@H]2CCc3c2cccc3Br)cc1 ZINC000317928342 563443019 /nfs/dbraw/zinc/44/30/19/563443019.db2.gz QPNSEBAWQFJIDL-MRXNPFEDSA-N 1 0 381.295 2.874 20 0 GFADRO O=C([C@@H]1CCC[N@@H+]1C1CC1)N1CCO[C@H](c2cccc(Br)c2)C1 ZINC000426087497 563443631 /nfs/dbraw/zinc/44/36/31/563443631.db2.gz VZYNQHRKVAFSLD-IRXDYDNUSA-N 1 0 379.298 2.976 20 0 GFADRO CCC[NH+]1CCC(N2CCN([C@@H](C)c3ncc(Br)cn3)CC2)CC1 ZINC000376503394 563443782 /nfs/dbraw/zinc/44/37/82/563443782.db2.gz AFUUMRAFGSOOEZ-HNNXBMFYSA-N 1 0 396.377 2.792 20 0 GFADRO CC[C@@H]1C[N@H+](C)CCCN1S(=O)(=O)c1ccc(OC)c(Br)c1 ZINC000318517302 563443876 /nfs/dbraw/zinc/44/38/76/563443876.db2.gz OUAKODCGSQJPSI-GFCCVEGCSA-N 1 0 391.331 2.563 20 0 GFADRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)NCc1ccc(Cl)cc1Cl ZINC000283513633 563446640 /nfs/dbraw/zinc/44/66/40/563446640.db2.gz ZYGVCJBRNPRBCZ-GFCCVEGCSA-N 1 0 386.323 2.798 20 0 GFADRO Cc1cc(NC(=O)C(=O)N2CC[N@@H+](C)CC[C@H]2C)cc(C)c1Br ZINC000426214913 563447173 /nfs/dbraw/zinc/44/71/73/563447173.db2.gz QANCIDRQUQWHCL-CYBMUJFWSA-N 1 0 382.302 2.557 20 0 GFADRO COc1ccc(Br)cc1CN(C)C(=O)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000321486466 563448759 /nfs/dbraw/zinc/44/87/59/563448759.db2.gz RWMZUUFWUXXKEV-CQSZACIVSA-N 1 0 395.219 2.958 20 0 GFADRO COC(=O)c1ccc(Br)cc1C[N@@H+]1CC[C@@]2(C1)CCCN(C)C2=O ZINC000376694071 563451043 /nfs/dbraw/zinc/45/10/43/563451043.db2.gz KBTMIHYATUYBAV-GOSISDBHSA-N 1 0 395.297 2.680 20 0 GFADRO O=C(Nc1ncc(C(F)(F)F)s1)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000283686008 563451272 /nfs/dbraw/zinc/45/12/72/563451272.db2.gz UXDQMWGBZNVLJR-JTQLQIEISA-N 1 0 378.420 2.784 20 0 GFADRO O=C(c1c(F)cccc1Br)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000323599613 563451602 /nfs/dbraw/zinc/45/16/02/563451602.db2.gz YWPXYCQTYJTGKS-CYBMUJFWSA-N 1 0 385.277 2.915 20 0 GFADRO O=C1CC[C@H]([NH2+]Cc2cn(-c3ccc(Cl)c(Cl)c3)nn2)[C@H](C2CC2)N1 ZINC000376772632 563454205 /nfs/dbraw/zinc/45/42/05/563454205.db2.gz MQGSAMRGKOXIAB-RDJZCZTQSA-N 1 0 380.279 2.721 20 0 GFADRO [NH3+]C[C@]12CCC[C@H]1CN(S(=O)(=O)c1ccc(OC(F)F)c(Cl)c1)C2 ZINC000326417953 563455367 /nfs/dbraw/zinc/45/53/67/563455367.db2.gz BHYSQRILRWIBPX-BONVTDFDSA-N 1 0 380.844 2.691 20 0 GFADRO COc1cc(Br)c(C[NH2+][C@H](CO)C[C@@H](O)C(C)(C)C)cc1OC ZINC000283840824 563456969 /nfs/dbraw/zinc/45/69/69/563456969.db2.gz FOPVURWIPIJIHG-BLLLJJGKSA-N 1 0 390.318 2.714 20 0 GFADRO O=S(=O)(c1cccc(OC(F)(F)F)c1)N1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000327774731 563459585 /nfs/dbraw/zinc/45/95/85/563459585.db2.gz WVNHOBHLEDLIQZ-GJZGRUSLSA-N 1 0 378.416 2.880 20 0 GFADRO C[C@H](CNC(=O)C(=O)NC[C@H](c1cccs1)[NH+](C)C)Cc1cccs1 ZINC000283942483 563459685 /nfs/dbraw/zinc/45/96/85/563459685.db2.gz FEWFOWGCGSIXTO-DZGCQCFKSA-N 1 0 379.551 2.524 20 0 GFADRO O=C(c1ccncc1Br)N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000427179071 563461322 /nfs/dbraw/zinc/46/13/22/563461322.db2.gz OSXCCFBCHKBJMG-AWEZNQCLSA-N 1 0 382.302 2.561 20 0 GFADRO C[C@H]([NH3+])C1CCN(C(=O)C2CCN(C(=O)c3ccc(Cl)s3)CC2)CC1 ZINC000377124725 563464259 /nfs/dbraw/zinc/46/42/59/563464259.db2.gz ANTDPMAPLWYNKH-LBPRGKRZSA-N 1 0 383.945 2.840 20 0 GFADRO CS(=O)(=O)c1cccc(Br)c1N1CCC([NH+]2CCCC2)CC1 ZINC000377121818 563464313 /nfs/dbraw/zinc/46/43/13/563464313.db2.gz YXJNJZOVIMUPGD-UHFFFAOYSA-N 1 0 387.343 2.917 20 0 GFADRO COC(=O)[C@H](NC(=O)C[C@H]1CCC[NH2+]CC1)c1ccc(Br)cc1 ZINC000427356857 563466025 /nfs/dbraw/zinc/46/60/25/563466025.db2.gz JFLWKFCMNWIWSG-BLLLJJGKSA-N 1 0 383.286 2.559 20 0 GFADRO CN(Cc1ccc(Cl)s1)C(=O)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000284198709 563467336 /nfs/dbraw/zinc/46/73/36/563467336.db2.gz MBBMJUGZRSQRCJ-UHFFFAOYSA-N 1 0 383.945 2.883 20 0 GFADRO COC(=O)c1ccc(C[NH2+]C[C@@H]2CCCN(C(C)=O)C2)c(Br)c1 ZINC000284407401 563473630 /nfs/dbraw/zinc/47/36/30/563473630.db2.gz QEMKTKJTTAEVDM-ZDUSSCGKSA-N 1 0 383.286 2.584 20 0 GFADRO COc1cc(Br)c(CN2CCC(C(=O)NC3CC3)CC2)cc1OC ZINC000377439831 563475134 /nfs/dbraw/zinc/47/51/34/563475134.db2.gz LRWJABFQKSJRMD-UHFFFAOYSA-N 1 0 397.313 2.957 20 0 GFADRO C[N@@H+]1CC[C@H]2[C@H](CCCN2S(=O)(=O)c2ccc(Br)s2)C1 ZINC000427812065 563477123 /nfs/dbraw/zinc/47/71/23/563477123.db2.gz PCCWBXUVWOJCPJ-MNOVXSKESA-N 1 0 379.345 2.615 20 0 GFADRO NC(=O)NC(=O)CCC[N@@H+]1CCc2nc(-c3ccccc3Cl)sc2C1 ZINC000377525638 563477746 /nfs/dbraw/zinc/47/77/46/563477746.db2.gz PTOIXADIFIHPFC-UHFFFAOYSA-N 1 0 378.885 2.797 20 0 GFADRO O=C(c1ccn(-c2cccc(Br)c2)n1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000377526478 563477932 /nfs/dbraw/zinc/47/79/32/563477932.db2.gz VTYYUAFQEFZDQB-SFHVURJKSA-N 1 0 389.297 2.851 20 0 GFADRO O=S1(=O)CC[C@@]2(C1)C[C@@H]([NH2+]Cc1cnc(-c3ccsc3)s1)CCO2 ZINC000329297152 563478154 /nfs/dbraw/zinc/47/81/54/563478154.db2.gz TVLGNACGJICJFL-BBRMVZONSA-N 1 0 384.548 2.698 20 0 GFADRO O=S(=O)(c1cc(Cl)ccc1OCC1CCC1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000427960380 563478957 /nfs/dbraw/zinc/47/89/57/563478957.db2.gz UNTBFUIMODTFOU-GOEBONIOSA-N 1 0 384.929 2.891 20 0 GFADRO O=C(N[C@H]1CCN(c2cccc(Br)c2)C1)[C@H]1CCC[N@@H+]1C1CC1 ZINC000428060768 563481933 /nfs/dbraw/zinc/48/19/33/563481933.db2.gz MECIOKFWRJTKMZ-WMLDXEAASA-N 1 0 378.314 2.771 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)c1cnc(Sc2nccn2C)c(Cl)c1 ZINC000428120982 563483329 /nfs/dbraw/zinc/48/33/29/563483329.db2.gz NPXIYKVCSXSRBY-BXUZGUMPSA-N 1 0 379.917 2.962 20 0 GFADRO CC(C)n1nccc1[C@H]1OCC[C@@H]1[NH2+][C@@H](C)Cn1cc(Br)cn1 ZINC000284634910 563483975 /nfs/dbraw/zinc/48/39/75/563483975.db2.gz NNGDHTHQZHJHGN-NOLJZWGESA-N 1 0 382.306 2.931 20 0 GFADRO CCCCOCCNC(=O)C[NH2+][C@@H](c1cncc(Br)c1)C1CC1 ZINC000284732637 563488105 /nfs/dbraw/zinc/48/81/05/563488105.db2.gz KLBQBFOEBFECSN-QGZVFWFLSA-N 1 0 384.318 2.818 20 0 GFADRO CC(C)CNC(=O)NC(=O)[C@H](C)[NH2+][C@@H](c1cncc(Br)c1)C1CC1 ZINC000284763958 563489611 /nfs/dbraw/zinc/48/96/11/563489611.db2.gz MGEOSZLQFCUNJL-XHDPSFHLSA-N 1 0 397.317 2.755 20 0 GFADRO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)C(=O)Nc1cccc(Cl)n1 ZINC000284775440 563490398 /nfs/dbraw/zinc/49/03/98/563490398.db2.gz NKDQQEBATGWZCV-GFCCVEGCSA-N 1 0 378.885 2.688 20 0 GFADRO O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)C(=O)Nc1cccc(Cl)n1 ZINC000284775442 563490420 /nfs/dbraw/zinc/49/04/20/563490420.db2.gz NKDQQEBATGWZCV-LBPRGKRZSA-N 1 0 378.885 2.688 20 0 GFADRO C[N@@H+]1CC[C@H]2CCN(S(=O)(=O)c3ccc(Cl)c(Br)c3)[C@H]2C1 ZINC000428426316 563492058 /nfs/dbraw/zinc/49/20/58/563492058.db2.gz XPVZMSIGEURXIX-HZMBPMFUSA-N 1 0 393.734 2.817 20 0 GFADRO CN(Cc1c(Cl)cccc1Cl)C(=O)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000284859284 563492773 /nfs/dbraw/zinc/49/27/73/563492773.db2.gz AMXYAQIDIJTLMR-LBPRGKRZSA-N 1 0 384.307 2.552 20 0 GFADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@@H]1CCO[C@@]2(CCSC2)C1 ZINC000428465730 563492956 /nfs/dbraw/zinc/49/29/56/563492956.db2.gz XNXLJWMLHJGJRL-XPKDYRNWSA-N 1 0 387.343 2.644 20 0 GFADRO CN(C)c1ncc(C[NH2+]C[C@H](CO)Cc2ccc(Br)cc2)s1 ZINC000428531812 563495034 /nfs/dbraw/zinc/49/50/34/563495034.db2.gz DQLODPJZYZDQGP-CYBMUJFWSA-N 1 0 384.343 2.912 20 0 GFADRO Cc1c(C(=O)N2CCn3cncc3C2)cnn1-c1cccc(Br)c1 ZINC000378109295 563496119 /nfs/dbraw/zinc/49/61/19/563496119.db2.gz DIYILTXEIWWXHV-UHFFFAOYSA-N 1 0 386.253 2.796 20 0 GFADRO C[NH+](C)CCOc1ccc(CCNC(=O)C(=O)c2ccc(Cl)s2)cc1 ZINC000428741591 563500881 /nfs/dbraw/zinc/50/08/81/563500881.db2.gz RASQAEDBXGFGJF-UHFFFAOYSA-N 1 0 380.897 2.884 20 0 GFADRO Cc1c(Br)cccc1S(=O)(=O)N1CCC[C@H]([NH+](C)C)CC1 ZINC000428868123 563503760 /nfs/dbraw/zinc/50/37/60/563503760.db2.gz SZCJHKIXMIUKOO-ZDUSSCGKSA-N 1 0 375.332 2.862 20 0 GFADRO C[C@H]1CN(C(=O)c2cccc(Br)c2)CCN1C1CC[NH+](C)CC1 ZINC000378369592 563504621 /nfs/dbraw/zinc/50/46/21/563504621.db2.gz YFZRYCPECYYHFQ-AWEZNQCLSA-N 1 0 380.330 2.690 20 0 GFADRO O=C(NC1CC[NH+](CC2(O)CCCCC2)CC1)c1occc1Br ZINC000378392357 563505460 /nfs/dbraw/zinc/50/54/60/563505460.db2.gz FSSWUERWQNOAEI-UHFFFAOYSA-N 1 0 385.302 2.932 20 0 GFADRO COc1ccc(Br)cc1C(=O)CCC(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000428977448 563505499 /nfs/dbraw/zinc/50/54/99/563505499.db2.gz NDEWYKRCTUUTQA-QWHCGFSZSA-N 1 0 397.313 2.925 20 0 GFADRO C[C@H](NC[C@H]1CC[N@H+](C)[C@@H]1c1cccs1)c1cccc(S(N)(=O)=O)c1 ZINC000378435973 563506517 /nfs/dbraw/zinc/50/65/17/563506517.db2.gz WIWWIRACOMIPRH-JOQOYGCGSA-N 1 0 379.551 2.739 20 0 GFADRO [NH3+]C[C@@H]1CCCCN1C(=O)c1cc(I)ccc1Cl ZINC000429009436 563507168 /nfs/dbraw/zinc/50/71/68/563507168.db2.gz OWDAWQNNCRYUOA-JTQLQIEISA-N 1 0 378.641 2.898 20 0 GFADRO OC[C@@H]([NH2+]C[C@H](O)COCc1ccccc1)c1ccc(Br)c(F)c1 ZINC000429018119 563508056 /nfs/dbraw/zinc/50/80/56/563508056.db2.gz GIDUOVSDOLEETB-MAUKXSAKSA-N 1 0 398.272 2.789 20 0 GFADRO COc1cc(Br)c(C[NH2+][C@H]2CCN(c3cnn(C)c3)C2)c(OC)c1 ZINC000378474744 563508479 /nfs/dbraw/zinc/50/84/79/563508479.db2.gz NAYBNLAQJZGBHQ-LBPRGKRZSA-N 1 0 395.301 2.568 20 0 GFADRO CSc1nnc(CNC(=O)NCC[C@H](C)[N@H+](C)Cc2ccccc2)s1 ZINC000429135260 563510835 /nfs/dbraw/zinc/51/08/35/563510835.db2.gz MWPRSBSDOORIPE-ZDUSSCGKSA-N 1 0 379.555 2.970 20 0 GFADRO CC(C)[C@@H]([NH3+])CNC(=O)CCCOc1ccc(I)cc1 ZINC000429190302 563511852 /nfs/dbraw/zinc/51/18/52/563511852.db2.gz FATGQRYYIQGSFW-AWEZNQCLSA-N 1 0 390.265 2.550 20 0 GFADRO CC(=O)c1cc(Br)ccc1OCC(=O)N1CCC[C@H]1C[NH+](C)C ZINC000285294206 563513182 /nfs/dbraw/zinc/51/31/82/563513182.db2.gz LMCZEXANUGNISH-AWEZNQCLSA-N 1 0 383.286 2.583 20 0 GFADRO CN(C)S(=O)(=O)CC[NH2+][C@@H]1c2cccc(Br)c2CC1(C)C ZINC000429365737 563515314 /nfs/dbraw/zinc/51/53/14/563515314.db2.gz WVIWWQLXDJCRQU-CQSZACIVSA-N 1 0 375.332 2.554 20 0 GFADRO COCC[C@H](Cc1cccc(Br)c1)C(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000429386751 563515670 /nfs/dbraw/zinc/51/56/70/563515670.db2.gz NKKMDVBRRLRFNH-IJEWVQPXSA-N 1 0 383.330 2.853 20 0 GFADRO C[NH+](C)CCN(Cc1ccccc1)S(=O)(=O)c1cncc(Br)c1 ZINC000381499328 563515692 /nfs/dbraw/zinc/51/56/92/563515692.db2.gz OBXTUIRPWKJJRP-UHFFFAOYSA-N 1 0 398.326 2.597 20 0 GFADRO [NH3+]C[C@]12CCC[C@H]1CN(C(=O)c1ccc(F)cc1I)C2 ZINC000380677703 563515706 /nfs/dbraw/zinc/51/57/06/563515706.db2.gz ZAVBJXWUHFLKKX-BONVTDFDSA-N 1 0 388.224 2.631 20 0 GFADRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1S(=O)(=O)c1ccc2nc(Cl)cnc2c1 ZINC000285350046 563516099 /nfs/dbraw/zinc/51/60/99/563516099.db2.gz PNBJAAYIUWKHOY-CHWSQXEVSA-N 1 0 380.901 2.531 20 0 GFADRO CCOC(=O)CN(C)C(=O)C[NH2+][C@@H]1c2cccc(Br)c2CC1(C)C ZINC000429410680 563516493 /nfs/dbraw/zinc/51/64/93/563516493.db2.gz RLEZERHKRQKVOA-QGZVFWFLSA-N 1 0 397.313 2.684 20 0 GFADRO CCOc1cc(C[NH2+][C@@H]2CCCS(=O)(=O)C2)cc(Br)c1OC ZINC000330669627 563517046 /nfs/dbraw/zinc/51/70/46/563517046.db2.gz KWINCKAUIYGVIZ-GFCCVEGCSA-N 1 0 392.315 2.523 20 0 GFADRO C[C@@H]1CN(S(=O)(=O)c2ccc(Cl)c(Br)c2)C[C@@]1(C)C[NH3+] ZINC000383739214 563517222 /nfs/dbraw/zinc/51/72/22/563517222.db2.gz RFVORZZUULQGBM-NOZJJQNGSA-N 1 0 381.723 2.708 20 0 GFADRO COc1ccc(CN2CCO[C@@]3(CCCOC3)C2)c(Br)c1OC ZINC000285452292 563521583 /nfs/dbraw/zinc/52/15/83/563521583.db2.gz YPGMTRUIVKCCRN-KRWDZBQOSA-N 1 0 386.286 2.848 20 0 GFADRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000429773718 563522603 /nfs/dbraw/zinc/52/26/03/563522603.db2.gz LJBIZAJEZFADTE-PWSUYJOCSA-N 1 0 377.794 2.802 20 0 GFADRO C[C@@H]1CCN(C)CCN1S(=O)(=O)c1cc(Cl)ccc1Br ZINC000429817136 563523369 /nfs/dbraw/zinc/52/33/69/563523369.db2.gz KSVCZUHTVWDZOW-SNVBAGLBSA-N 1 0 381.723 2.817 20 0 GFADRO O[C@@H](COc1cccc(Br)c1)C[N@@H+]1CCC[C@](O)(C(F)(F)F)C1 ZINC000330849461 563523761 /nfs/dbraw/zinc/52/37/61/563523761.db2.gz DJSFHPIWYGWHOJ-TZMCWYRMSA-N 1 0 398.219 2.578 20 0 GFADRO [NH3+]CCC[C@@H](NS(=O)(=O)c1cncc(Br)c1)c1ccccc1 ZINC000390714059 563523874 /nfs/dbraw/zinc/52/38/74/563523874.db2.gz ITVKQOQNGLOVNM-OAHLLOKOSA-N 1 0 384.299 2.603 20 0 GFADRO C[C@H](CNC(=O)c1cccc2cccc(Br)c21)N1CC[NH+](C)CC1 ZINC000285512518 563524351 /nfs/dbraw/zinc/52/43/51/563524351.db2.gz JUUWDVDPNVQGBU-CQSZACIVSA-N 1 0 390.325 2.968 20 0 GFADRO COCC[C@@]1(C(=O)NCCCOc2ccc(Cl)cc2Cl)CC[NH2+]C1 ZINC000429894843 563528267 /nfs/dbraw/zinc/52/82/67/563528267.db2.gz FYGLONLLFOLXLA-KRWDZBQOSA-N 1 0 375.296 2.895 20 0 GFADRO Cn1cc(Br)c(CNC2CC[NH+](CCc3ccccc3)CC2)n1 ZINC000393320133 563528472 /nfs/dbraw/zinc/52/84/72/563528472.db2.gz GVPBJXATPLSLED-UHFFFAOYSA-N 1 0 377.330 2.979 20 0 GFADRO COC(=O)[C@@H](NC(=O)C[C@H](C)C1CC[NH2+]CC1)c1ccc(Br)cc1 ZINC000429912089 563528799 /nfs/dbraw/zinc/52/87/99/563528799.db2.gz VDSRWYWKQRFPGJ-SJCJKPOMSA-N 1 0 397.313 2.805 20 0 GFADRO COC(=O)[C@H](NC(=O)C[C@@H](C)C1CC[NH2+]CC1)c1ccc(Br)cc1 ZINC000429912090 563529058 /nfs/dbraw/zinc/52/90/58/563529058.db2.gz VDSRWYWKQRFPGJ-SJKOYZFVSA-N 1 0 397.313 2.805 20 0 GFADRO Cc1cc(Br)c(C(=O)NC[C@@H]2C[N@@H+]3CCN2CCC3)cc1Cl ZINC000394750286 563530345 /nfs/dbraw/zinc/53/03/45/563530345.db2.gz NFRUNDDYFCPNLC-GFCCVEGCSA-N 1 0 386.721 2.531 20 0 GFADRO OC1(CC[NH2+]Cc2cc(Br)c3c(c2)OCCCO3)CCOCC1 ZINC000285665290 563530598 /nfs/dbraw/zinc/53/05/98/563530598.db2.gz ZIGIZTZWWUXFCX-UHFFFAOYSA-N 1 0 386.286 2.632 20 0 GFADRO Cn1ncc(NCC2CC[NH+](Cc3ccccc3)CC2)c(Br)c1=O ZINC000397615605 563532887 /nfs/dbraw/zinc/53/28/87/563532887.db2.gz GXCIQBGEVYLEMW-UHFFFAOYSA-N 1 0 391.313 2.867 20 0 GFADRO CC(=O)c1cc(Br)ccc1OCC(=O)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000285714263 563534152 /nfs/dbraw/zinc/53/41/52/563534152.db2.gz PSIAFFUZYFYPCL-MEDUHNTESA-N 1 0 395.297 2.629 20 0 GFADRO CS(=O)(=O)N1CCC[C@H]([NH2+][C@H]2CCc3sc(Br)cc32)C1 ZINC000400123919 563534223 /nfs/dbraw/zinc/53/42/23/563534223.db2.gz BPERAMMIKHIFJN-ONGXEEELSA-N 1 0 379.345 2.512 20 0 GFADRO C[C@@H]([NH2+][C@H]1CCN(S(C)(=O)=O)C1)c1cc2cc(Br)ccc2o1 ZINC000400102162 563534334 /nfs/dbraw/zinc/53/43/34/563534334.db2.gz BAVGICYPAQXACF-MFKMUULPSA-N 1 0 387.299 2.880 20 0 GFADRO [NH3+]C[C@@H](NC(=O)c1ccc(Br)cc1Br)C(F)(F)F ZINC000401672927 563535157 /nfs/dbraw/zinc/53/51/57/563535157.db2.gz MLJLONWXJQZZSQ-MRVPVSSYSA-N 1 0 389.997 2.831 20 0 GFADRO COc1cccc([C@H](CNC(=O)c2nscc2Br)[NH+](C)C)c1 ZINC000404817425 563536867 /nfs/dbraw/zinc/53/68/67/563536867.db2.gz CGJLCRGPJVBDFJ-ZDUSSCGKSA-N 1 0 384.299 2.947 20 0 GFADRO C[C@@H](C(=O)NC[C@@H](CO)Cc1ccccc1Br)[NH+]1CCCCCC1 ZINC000430166150 563537121 /nfs/dbraw/zinc/53/71/21/563537121.db2.gz UFOXYNZINXEDGH-HOTGVXAUSA-N 1 0 397.357 2.981 20 0 GFADRO C[NH+](C)C[C@@H]1CCCCN1C(=O)c1ccc(I)c(O)c1 ZINC000405126419 563537864 /nfs/dbraw/zinc/53/78/64/563537864.db2.gz KRSMWRIUBZSSEN-LBPRGKRZSA-N 1 0 388.249 2.553 20 0 GFADRO C[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2F)[C@@H]1CC[NH3+] ZINC000405248962 563538983 /nfs/dbraw/zinc/53/89/83/563538983.db2.gz ISUISEWZNFDSHS-ZWNOBZJWSA-N 1 0 379.295 2.726 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cn3ccc(Br)cc3n2)[C@H](C)C1 ZINC000285854843 563539515 /nfs/dbraw/zinc/53/95/15/563539515.db2.gz XGLYGPLAKKJDRE-DOMZBBRYSA-N 1 0 379.302 2.899 20 0 GFADRO CCN(Cc1cc(Br)ccc1F)C(=O)[C@]1(CCOC)CC[NH2+]C1 ZINC000430274426 563540137 /nfs/dbraw/zinc/54/01/37/563540137.db2.gz DUZANWZCSNYUEY-KRWDZBQOSA-N 1 0 387.293 2.953 20 0 GFADRO CS(=O)(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(Br)cc1F ZINC000331207406 563540767 /nfs/dbraw/zinc/54/07/67/563540767.db2.gz YURBGADOAJTMSI-ZIAGYGMSSA-N 1 0 379.295 2.538 20 0 GFADRO COCC[C@@]1(C(=O)N[C@@H](C)CCc2ccc(Br)cc2)CC[NH2+]C1 ZINC000430304987 563541184 /nfs/dbraw/zinc/54/11/84/563541184.db2.gz WGXPHTGPFSCNRU-KSSFIOAISA-N 1 0 383.330 2.903 20 0 GFADRO CC1CC[NH+](C[C@@H](O)CNS(=O)(=O)c2c(Cl)cc(F)cc2Cl)CC1 ZINC000331227536 563541396 /nfs/dbraw/zinc/54/13/96/563541396.db2.gz NYRTZPYDWFSMCE-LBPRGKRZSA-N 1 0 399.315 2.504 20 0 GFADRO CC(C)(C(=O)NC[C@H]1CCCC[N@@H+]1CCO)c1ccc(Br)cc1 ZINC000331316663 563545137 /nfs/dbraw/zinc/54/51/37/563545137.db2.gz JIRVEXJSNDXNHL-MRXNPFEDSA-N 1 0 383.330 2.690 20 0 GFADRO C[NH2+][C@H]1CCN(CC(=O)Nc2ccc(Br)c(C(F)(F)F)c2)C1 ZINC000430642932 563546779 /nfs/dbraw/zinc/54/67/79/563546779.db2.gz VYWBLHQJWIXGGD-JTQLQIEISA-N 1 0 380.208 2.700 20 0 GFADRO Cc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2NS(C)(=O)=O)c(Br)c1 ZINC000331352931 563547187 /nfs/dbraw/zinc/54/71/87/563547187.db2.gz ZQUXUMGDORWCSF-CABCVRRESA-N 1 0 375.332 2.708 20 0 GFADRO O=C(NCCn1cc(Br)cn1)c1cccc(C[NH+]2CCCC2)c1 ZINC000286131719 563549771 /nfs/dbraw/zinc/54/97/71/563549771.db2.gz AMTSXKHPYABTAL-UHFFFAOYSA-N 1 0 377.286 2.671 20 0 GFADRO COCC[NH+](CCOC)C1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000286171072 563550989 /nfs/dbraw/zinc/55/09/89/563550989.db2.gz JELBKFUKSBJUPA-UHFFFAOYSA-N 1 0 399.329 2.649 20 0 GFADRO O=S(=O)(c1cccc(Cl)c1Br)N1CCC2(CC[NH2+]C2)CC1 ZINC000431013261 563551513 /nfs/dbraw/zinc/55/15/13/563551513.db2.gz IOCDORIGMOMCBB-UHFFFAOYSA-N 1 0 393.734 2.867 20 0 GFADRO C[C@H]1C[C@@H](N2CCOCC2)C[N@@H+]1Cc1nc2cc(Br)ccc2o1 ZINC000286234336 563553198 /nfs/dbraw/zinc/55/31/98/563553198.db2.gz ZGSBMXFVNKAVLC-GXTWGEPZSA-N 1 0 380.286 2.885 20 0 GFADRO COc1cccc(NC(=O)C[NH2+][C@@](C)(CO)c2ccc(Br)cc2)c1 ZINC000286263641 563554467 /nfs/dbraw/zinc/55/44/67/563554467.db2.gz BCQBLKVXQBSBTC-SFHVURJKSA-N 1 0 393.281 2.894 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@H](NC(=O)N[C@H]2COc3cc(F)c(Br)cc32)C1 ZINC000331685371 563557651 /nfs/dbraw/zinc/55/76/51/563557651.db2.gz VAGNGVRDYITNTG-RBZYPMLTSA-N 1 0 386.265 2.804 20 0 GFADRO C[C@H]1C[NH+](CCCNC(=O)NCc2ccsc2Br)C[C@H](C)O1 ZINC000331721657 563559567 /nfs/dbraw/zinc/55/95/67/563559567.db2.gz TUEVGINFYIHKKW-RYUDHWBXSA-N 1 0 390.347 2.809 20 0 GFADRO Cc1cc(Br)c(C[NH+]2CCC([C@]3(C)NC(=O)NC3=O)CC2)s1 ZINC000331909539 563566613 /nfs/dbraw/zinc/56/66/13/563566613.db2.gz KHEVYXFWJQPIMS-HNNXBMFYSA-N 1 0 386.315 2.629 20 0 GFADRO Cc1ncc(Br)cc1NC(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000331912144 563567033 /nfs/dbraw/zinc/56/70/33/563567033.db2.gz IFYVNRCOJBIAAI-HOTGVXAUSA-N 1 0 397.317 2.652 20 0 GFADRO COc1nc(C)c(Br)cc1C(=O)N1CC[C@@H]([NH+]2CCCC2)[C@H]1C ZINC000286624741 563567826 /nfs/dbraw/zinc/56/78/26/563567826.db2.gz AMTUYBYUJARDHP-IUODEOHRSA-N 1 0 382.302 2.860 20 0 GFADRO C[C@H](Oc1ccc(Br)cc1)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000409792412 563571498 /nfs/dbraw/zinc/57/14/98/563571498.db2.gz RFRANPFJAIKVPO-LRDDRELGSA-N 1 0 387.343 2.770 20 0 GFADRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2cnc3ccc(Br)cc3c2O)C1 ZINC000332051061 563573606 /nfs/dbraw/zinc/57/36/06/563573606.db2.gz ZHYVIDGYAVRURA-GFCCVEGCSA-N 1 0 392.297 2.704 20 0 GFADRO COCCC[N@H+](C)CCNC(=O)c1cn(-c2ccc(Cl)c(Cl)c2)cn1 ZINC000432113248 563575137 /nfs/dbraw/zinc/57/51/37/563575137.db2.gz PMJFAFUPVBJPGU-UHFFFAOYSA-N 1 0 385.295 2.877 20 0 GFADRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1cn2ccc(Br)cc2n1 ZINC000286980184 563582466 /nfs/dbraw/zinc/58/24/66/563582466.db2.gz GQENYRQHVVBQNF-IUODEOHRSA-N 1 0 377.286 2.796 20 0 GFADRO C[C@H]1CCN(C(=O)c2cc(=O)[nH]c3c(Br)cccc23)[C@@H](C)[C@H]1[NH3+] ZINC000332203655 563583301 /nfs/dbraw/zinc/58/33/01/563583301.db2.gz GTDBKFADKKFRGD-YHAQOWFVSA-N 1 0 378.270 2.901 20 0 GFADRO CCN(CC)S(=O)(=O)CC[NH2+]C1CC(c2cccc(Br)c2)C1 ZINC000432426581 563584137 /nfs/dbraw/zinc/58/41/37/563584137.db2.gz SMZCWNSXDCIGMT-UHFFFAOYSA-N 1 0 389.359 2.956 20 0 GFADRO Cc1cc(C(=O)N[C@@H]2CC[NH2+]C[C@H]2C)nn1-c1ccc(Br)cc1 ZINC000432536401 563586989 /nfs/dbraw/zinc/58/69/89/563586989.db2.gz UUTNJLSTIGLVBZ-IAQYHMDHSA-N 1 0 377.286 2.671 20 0 GFADRO CN(Cc1cc(Br)cs1)C(=O)C[NH2+][C@H]1CCC[C@@]1(C)CO ZINC000332276426 563589732 /nfs/dbraw/zinc/58/97/32/563589732.db2.gz DIQHKJAQMOBGRT-ZFWWWQNUSA-N 1 0 375.332 2.610 20 0 GFADRO CN(Cc1c(Cl)cccc1Cl)C(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000410500332 563591907 /nfs/dbraw/zinc/59/19/07/563591907.db2.gz WNKRWJBIJONCCI-ZDUSSCGKSA-N 1 0 384.307 2.647 20 0 GFADRO C[C@@H]1CN(C(=O)NC[C@@H]2CCN(c3cccc(Br)c3)C2)CC[C@@H]1[NH3+] ZINC000332353125 563595119 /nfs/dbraw/zinc/59/51/19/563595119.db2.gz RCJKGLBBEMFKPK-KEYYUXOJSA-N 1 0 395.345 2.654 20 0 GFADRO C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@@H]2COc3c2ccc(Cl)c3Cl)C[C@@H]1C ZINC000332376324 563595614 /nfs/dbraw/zinc/59/56/14/563595614.db2.gz ZLTAPJWFKLUHAQ-COPLHBTASA-N 1 0 388.295 2.523 20 0 GFADRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2nn(C)cc2Br)C1 ZINC000432882158 563596090 /nfs/dbraw/zinc/59/60/90/563596090.db2.gz WQSBQEQLAKKISM-OCCSQVGLSA-N 1 0 377.286 2.748 20 0 GFADRO COCCOc1ccc(Br)cc1NC(=O)N1CCC[N@H+](C)CC1 ZINC000332379155 563596131 /nfs/dbraw/zinc/59/61/31/563596131.db2.gz XMBUKXVJRLMJMG-UHFFFAOYSA-N 1 0 386.290 2.644 20 0 GFADRO COC(=O)c1ccc(C[NH2+]C[C@H](CO)Cc2ccc(Br)cc2)o1 ZINC000432912203 563596736 /nfs/dbraw/zinc/59/67/36/563596736.db2.gz MGOWWHABVVQFSA-CYBMUJFWSA-N 1 0 382.254 2.770 20 0 GFADRO C[C@H](Cn1cc(Br)cn1)[NH2+]CCCn1cc(Br)cn1 ZINC000287397763 563599827 /nfs/dbraw/zinc/59/98/27/563599827.db2.gz QPJFAUJGYXOLAB-SNVBAGLBSA-N 1 0 391.111 2.673 20 0 GFADRO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)N1CC[C@H]2CC[N@H+](C)C[C@H]21 ZINC000410972598 563600798 /nfs/dbraw/zinc/60/07/98/563600798.db2.gz HPGCFZLUGRQJJY-CZUORRHYSA-N 1 0 384.307 2.504 20 0 GFADRO C[C@H](c1cccc(Br)c1)[NH+]1CCC([C@]2(C)NC(=O)NC2=O)CC1 ZINC000332477300 563600979 /nfs/dbraw/zinc/60/09/79/563600979.db2.gz VJOIHXZDLGUMNR-DIFFPNOSSA-N 1 0 380.286 2.820 20 0 GFADRO Cn1cc(Br)c(C(=O)N(CCCc2ccccc2)CC[NH+](C)C)n1 ZINC000433109894 563603594 /nfs/dbraw/zinc/60/35/94/563603594.db2.gz MIDHAQPAWNTLBV-UHFFFAOYSA-N 1 0 393.329 2.819 20 0 GFADRO C[C@H]1C[N@H+](CC(=O)NCC(=O)Nc2ccccc2Br)C(C)(C)C1 ZINC000332539838 563603626 /nfs/dbraw/zinc/60/36/26/563603626.db2.gz BVPBFZSYSOWHDM-GFCCVEGCSA-N 1 0 382.302 2.624 20 0 GFADRO OCC[N@H+](Cc1ccc(I)cc1)[C@H]1CCCSC1 ZINC000433197729 563605529 /nfs/dbraw/zinc/60/55/29/563605529.db2.gz UHKXVUPREWYMJX-AWEZNQCLSA-N 1 0 377.291 2.981 20 0 GFADRO C[NH+](C)[C@@H]1CCCN([C@@H]2CCN(c3cccc(Br)c3)C2=O)CC1 ZINC000433256623 563608233 /nfs/dbraw/zinc/60/82/33/563608233.db2.gz AYRCBVJPERLJSL-NVXWUHKLSA-N 1 0 380.330 2.971 20 0 GFADRO O=C1[C@H]([N@@H+]2CC[C@@H]([C@H]3CCOC3)C2)CCN1c1cccc(Br)c1 ZINC000433272715 563608461 /nfs/dbraw/zinc/60/84/61/563608461.db2.gz IKVVJUWFQJMMPX-JKIFEVAISA-N 1 0 379.298 2.913 20 0 GFADRO O=C([C@H]1CC[N@@H+](Cc2cc3c(cc2Br)OCCO3)C1)N1CCCC1 ZINC000287576509 563608858 /nfs/dbraw/zinc/60/88/58/563608858.db2.gz XPJQNEOQRYHVFM-ZDUSSCGKSA-N 1 0 395.297 2.665 20 0 GFADRO CC1(C)NC(=O)N(CC[N@@H+]2CC[C@@H](Cc3ccc(Br)cc3)C2)C1=O ZINC000433297806 563608914 /nfs/dbraw/zinc/60/89/14/563608914.db2.gz MJJXENAWPPUTOV-AWEZNQCLSA-N 1 0 394.313 2.644 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)N[C@@H]2CCN(c3ccccc3Br)C2)C1 ZINC000332641150 563609726 /nfs/dbraw/zinc/60/97/26/563609726.db2.gz GEXIOVBSWVHAEO-SOUVJXGZSA-N 1 0 395.345 2.797 20 0 GFADRO C[C@@H]1C[N@H+](CCCNC(=O)NCc2ccccc2Br)CCCO1 ZINC000433339158 563609954 /nfs/dbraw/zinc/60/99/54/563609954.db2.gz KCXRKLWJLYJKAA-CQSZACIVSA-N 1 0 384.318 2.749 20 0 GFADRO C[C@H]1CN(C(=O)Nc2nnc(-c3cccc(Br)c3)s2)[C@@H](C)C[NH2+]1 ZINC000332676318 563610765 /nfs/dbraw/zinc/61/07/65/563610765.db2.gz QOHYYIOKENPNJS-UWVGGRQHSA-N 1 0 396.314 3.182 20 0 GFADRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)Nc1nnc(-c2cccc(Br)c2)s1 ZINC000332676319 563610902 /nfs/dbraw/zinc/61/09/02/563610902.db2.gz QOHYYIOKENPNJS-VHSXEESVSA-N 1 0 396.314 3.182 20 0 GFADRO O=C(c1ncn([C@@H]2CCC[NH2+]C2)n1)N1CCc2c(ccc(Cl)c2Cl)C1 ZINC000433387008 563611494 /nfs/dbraw/zinc/61/14/94/563611494.db2.gz PSNUAPSHXBADRZ-GFCCVEGCSA-N 1 0 380.279 2.708 20 0 GFADRO CC[N@@H+]1CCC[C@@H](NC(=O)N[C@@H]2COc3cc(F)c(Br)cc32)C1 ZINC000332688768 563611508 /nfs/dbraw/zinc/61/15/08/563611508.db2.gz KFNWTBANCSZKOK-QMTHXVAHSA-N 1 0 386.265 2.805 20 0 GFADRO O[C@H](C[NH2+][C@H]1CCO[C@@H](C(F)(F)F)C1)c1cc(Cl)c2c(c1)OCCO2 ZINC000287640986 563612055 /nfs/dbraw/zinc/61/20/55/563612055.db2.gz KVVAAKFPMLDKHS-ZKYQVNSYSA-N 1 0 381.778 2.844 20 0 GFADRO O=C(NCC[NH2+][C@@H]1CCO[C@@H](C(F)(F)F)C1)c1cccc(Br)c1 ZINC000287643319 563612066 /nfs/dbraw/zinc/61/20/66/563612066.db2.gz KZMRAXFANXYOJK-CHWSQXEVSA-N 1 0 395.219 2.878 20 0 GFADRO Cc1cc(Br)c(NC(=O)C(=O)NCC[NH+]2CCCC2)cc1Cl ZINC000411248643 563612160 /nfs/dbraw/zinc/61/21/60/563612160.db2.gz XZSXLXFZXNGENA-UHFFFAOYSA-N 1 0 388.693 2.561 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)c1ncn([C@@H]2CCC[NH2+]C2)n1 ZINC000433420856 563612519 /nfs/dbraw/zinc/61/25/19/563612519.db2.gz GWCJVXASVPIVFM-CYBMUJFWSA-N 1 0 378.274 2.780 20 0 GFADRO CS(=O)(=O)N(CC(F)(F)F)C1CC[NH+]([C@@H]2C[C@@H]2c2ccccc2)CC1 ZINC000411273737 563612837 /nfs/dbraw/zinc/61/28/37/563612837.db2.gz VGFNZFSKZFQCIM-HZPDHXFCSA-N 1 0 376.444 2.831 20 0 GFADRO C[C@@H](CNS(=O)(=O)c1cc(Br)sc1Cl)[N@H+](C)C1CC1 ZINC000433644920 563617184 /nfs/dbraw/zinc/61/71/84/563617184.db2.gz MGDFDBJPGXQTOG-ZETCQYMHSA-N 1 0 387.752 2.925 20 0 GFADRO CC(C)(C)[NH2+]CCNC(=O)C(=O)N[C@@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000411393323 563617951 /nfs/dbraw/zinc/61/79/51/563617951.db2.gz FFWDKRWZBGIAEL-LBPRGKRZSA-N 1 0 379.810 2.564 20 0 GFADRO O=C(Nc1nnc2ccc(Br)cn21)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000333031978 563618289 /nfs/dbraw/zinc/61/82/89/563618289.db2.gz CCRHSDRTLOTGJD-CYBMUJFWSA-N 1 0 378.274 2.837 20 0 GFADRO COC(=O)c1cc(C[NH2+][C@@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)cs1 ZINC000411461179 563620143 /nfs/dbraw/zinc/62/01/43/563620143.db2.gz SKYYEDCBDMORRM-LBPRGKRZSA-N 1 0 382.507 2.636 20 0 GFADRO COc1cc(Br)c(NC(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1OC ZINC000333117173 563621226 /nfs/dbraw/zinc/62/12/26/563621226.db2.gz HOZDVZIXNXXXLV-WDEREUQCSA-N 1 0 384.274 2.540 20 0 GFADRO C[NH+](C)[C@H]1CCCN(c2c(Br)cccc2S(C)(=O)=O)CC1 ZINC000287924840 563623009 /nfs/dbraw/zinc/62/30/09/563623009.db2.gz WVXNKIWOZDQTGZ-LBPRGKRZSA-N 1 0 375.332 2.773 20 0 GFADRO O=C(Nc1cc(Br)ccc1-n1cccn1)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000333181666 563623312 /nfs/dbraw/zinc/62/33/12/563623312.db2.gz PXBZOGUVDKGHLW-OLZOCXBDSA-N 1 0 390.285 2.708 20 0 GFADRO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)Nc1cc(Br)ccc1N1CCOCC1 ZINC000333174820 563623343 /nfs/dbraw/zinc/62/33/43/563623343.db2.gz QQKVROJFDGKGCR-OCCSQVGLSA-N 1 0 397.317 2.548 20 0 GFADRO CSc1cc(NC(=O)C(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)ccc1Cl ZINC000411557654 563623557 /nfs/dbraw/zinc/62/35/57/563623557.db2.gz DEQWQCVKWYLWHJ-GOSISDBHSA-N 1 0 381.929 2.945 20 0 GFADRO [NH3+][C@H]1CCCO[C@@H]1C1CCN(C(=O)Cc2cc(F)ccc2Br)CC1 ZINC000333275733 563626651 /nfs/dbraw/zinc/62/66/51/563626651.db2.gz LKFZNLJDSMWTHK-FUHWJXTLSA-N 1 0 399.304 2.876 20 0 GFADRO Cc1nc2cc(Br)cc(NC(=O)N3C[C@H]4C[NH2+]CC[C@@H]4C3)c2o1 ZINC000333318822 563628142 /nfs/dbraw/zinc/62/81/42/563628142.db2.gz MQZWFLYBJVPMGM-GHMZBOCLSA-N 1 0 379.258 2.972 20 0 GFADRO O=C1CCC[C@@H]1[C@H]1COCCN1C[C@H](O)COc1ccc(Cl)cc1Cl ZINC000333339868 563628693 /nfs/dbraw/zinc/62/86/93/563628693.db2.gz SQLZJGVQEOICLP-SQWLQELKSA-N 1 0 388.291 2.803 20 0 GFADRO [NH3+][C@H]1CCO[C@H](C2CCN(C(=O)c3ccc(Br)c(F)c3)CC2)C1 ZINC000333337507 563628831 /nfs/dbraw/zinc/62/88/31/563628831.db2.gz XHVYNUOZCADWFP-BBRMVZONSA-N 1 0 385.277 2.947 20 0 GFADRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)Nc3nnc(-c4c(F)cccc4Cl)s3)C[C@@H]12 ZINC000333366522 563629518 /nfs/dbraw/zinc/62/95/18/563629518.db2.gz UKQVBDYICGYWDX-YGOYTEALSA-N 1 0 381.864 3.199 20 0 GFADRO C[NH+](C)C[C@H](NC(=O)c1c[nH]c(=O)c(Br)c1)c1ccc(F)cc1 ZINC000288135154 563630324 /nfs/dbraw/zinc/63/03/24/563630324.db2.gz KEHDJPDDVXKVDG-AWEZNQCLSA-N 1 0 382.233 2.722 20 0 GFADRO O=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)C(=O)Nc1c(F)cccc1Br ZINC000434562500 563632543 /nfs/dbraw/zinc/63/25/43/563632543.db2.gz WIQYGAQVUPYHGK-LBPRGKRZSA-N 1 0 398.276 2.660 20 0 GFADRO O=C(CC[NH2+][C@H](C1CC1)[C@]1(CO)CCCO1)Nc1ccccc1Br ZINC000411772871 563633513 /nfs/dbraw/zinc/63/35/13/563633513.db2.gz RMMQHKSWYXJQHK-QZTJIDSGSA-N 1 0 397.313 2.687 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)C(=O)Nc1nc(C(C)(C)C)cs1)c1cccs1 ZINC000434662595 563634483 /nfs/dbraw/zinc/63/44/83/563634483.db2.gz MKNQIIKZSLSUGS-LLVKDONJSA-N 1 0 380.539 2.860 20 0 GFADRO O=C(CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)Nc1ccc(Br)cc1 ZINC000333504798 563634829 /nfs/dbraw/zinc/63/48/29/563634829.db2.gz WOYSVGIUWTVWFJ-MRXNPFEDSA-N 1 0 394.313 2.911 20 0 GFADRO C[C@H]1[NH2+]CCN(C(=O)c2cc(I)ccc2Cl)[C@@H]1C ZINC000434704434 563635599 /nfs/dbraw/zinc/63/55/99/563635599.db2.gz FBOIRNKIAOENJY-RKDXNWHRSA-N 1 0 378.641 2.767 20 0 GFADRO O=C(c1nc2ccc(Br)cn2n1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000333585216 563636111 /nfs/dbraw/zinc/63/61/11/563636111.db2.gz AHNZNYFMEXQIFD-CQSZACIVSA-N 1 0 392.301 2.582 20 0 GFADRO O=C(NC1CC1)[C@H](O)C1CC[NH+](CCOc2cc(Cl)cc(Cl)c2)CC1 ZINC000434724317 563636208 /nfs/dbraw/zinc/63/62/08/563636208.db2.gz DILHRBVTZZYLOI-QGZVFWFLSA-N 1 0 387.307 2.724 20 0 GFADRO Cc1ccc(Br)c(NC(=O)C(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000288307405 563637432 /nfs/dbraw/zinc/63/74/32/563637432.db2.gz YXDQOJWTDYWKTR-PBWFPOADSA-N 1 0 394.313 2.780 20 0 GFADRO [NH3+][C@@H]1CCCO[C@H]1C1CCN(C(=O)NCc2ccc(Br)cc2)CC1 ZINC000333677081 563638795 /nfs/dbraw/zinc/63/87/95/563638795.db2.gz ZCJWSZUQEHDIJU-SJORKVTESA-N 1 0 396.329 2.877 20 0 GFADRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)NCC3(c4ccccc4Br)CC3)C[C@@H]12 ZINC000333685401 563639215 /nfs/dbraw/zinc/63/92/15/563639215.db2.gz ZZQLCIMCZWPKLZ-XJKCOSOUSA-N 1 0 378.314 2.859 20 0 GFADRO CC1CC[NH+](C[C@H](O)CNC(=O)NCc2cc(F)c(Cl)cc2F)CC1 ZINC000434873879 563640084 /nfs/dbraw/zinc/64/00/84/563640084.db2.gz MXJSXYFXTYPZAF-CYBMUJFWSA-N 1 0 375.847 2.510 20 0 GFADRO C[C@H](NC(=O)N1CCOc2ccc(Br)cc2C1)[C@@H]1CCC[NH2+]C1 ZINC000333731713 563640664 /nfs/dbraw/zinc/64/06/64/563640664.db2.gz WETCIXJQQWKURI-QWHCGFSZSA-N 1 0 382.302 2.741 20 0 GFADRO [NH3+][C@@H]1CCO[C@@H](C2CCN(S(=O)(=O)c3ccc(Cl)cc3Cl)CC2)C1 ZINC000333740966 563640667 /nfs/dbraw/zinc/64/06/67/563640667.db2.gz XPQNJUWTDCFNEL-UKRRQHHQSA-N 1 0 393.336 2.900 20 0 GFADRO COC[C@@H]1C[C@H](O)C[N@@H+]1CCCC(=O)Nc1c(C)cc(Br)cc1C ZINC000411907658 563640869 /nfs/dbraw/zinc/64/08/69/563640869.db2.gz GIAMMXMSDJTNBC-HOTGVXAUSA-N 1 0 399.329 2.866 20 0 GFADRO C[C@H](CN1CCOCC1)[N@H+](C)CC1=Cc2cc(Br)ccc2OC1 ZINC000435041577 563641128 /nfs/dbraw/zinc/64/11/28/563641128.db2.gz PZOPWAGQWWKOEA-CQSZACIVSA-N 1 0 381.314 2.877 20 0 GFADRO O=C(N[C@H]1CC[N@@H+](C2CC2)C1)c1cc(I)c(F)cc1F ZINC000435009778 563641464 /nfs/dbraw/zinc/64/14/64/563641464.db2.gz UIMLJQACYIDDJX-QMMMGPOBSA-N 1 0 392.187 2.536 20 0 GFADRO C[C@H](NC(=O)C[NH2+][C@H](CO)[C@H]1CCCOC1)c1ccc(Cl)cc1Cl ZINC000411989608 563643203 /nfs/dbraw/zinc/64/32/03/563643203.db2.gz HTYKBTYMSKURJR-MQIPJXDCSA-N 1 0 375.296 2.548 20 0 GFADRO OC[C@H]([NH2+]CCOc1ccc(Cl)cc1Br)[C@@H]1CCCOC1 ZINC000411991899 563643538 /nfs/dbraw/zinc/64/35/38/563643538.db2.gz YMUCTSHCYOQMRW-RISCZKNCSA-N 1 0 378.694 2.858 20 0 GFADRO O=C(C[NH2+][C@H](CO)[C@@H]1CCCOC1)Nc1cc(Cl)c(Cl)cc1Cl ZINC000411993211 563644267 /nfs/dbraw/zinc/64/42/67/563644267.db2.gz LGJULUBVYMDUNQ-YMTOWFKASA-N 1 0 381.687 2.962 20 0 GFADRO C[C@H](CNS(=O)(=O)c1cc(F)ccc1Br)[N@@H+]1CCC[C@H](C)C1 ZINC000435214363 563645439 /nfs/dbraw/zinc/64/54/39/563645439.db2.gz DYLZQZBNWKQMDP-NWDGAFQWSA-N 1 0 393.322 2.987 20 0 GFADRO O=C([C@@H]1CCC[NH2+]C1)N1CCC[C@@H]1c1ccc(I)cc1 ZINC000288500648 563645594 /nfs/dbraw/zinc/64/55/94/563645594.db2.gz BGGIXBWQUDWBGX-UKRRQHHQSA-N 1 0 384.261 2.954 20 0 GFADRO CC[N@@H+]1CCCC[C@H]1CNS(=O)(=O)c1cccc(C)c1Br ZINC000435223777 563646342 /nfs/dbraw/zinc/64/63/42/563646342.db2.gz BRHIAEXEWSXOKJ-ZDUSSCGKSA-N 1 0 375.332 2.910 20 0 GFADRO C[C@H](NC(=O)N[C@H]1CCOc2ccc(Br)cc21)[C@@H]1CCC[NH2+]C1 ZINC000333952136 563647269 /nfs/dbraw/zinc/64/72/69/563647269.db2.gz ZRRMYOHKHQEFFQ-ZOWXZIJZSA-N 1 0 382.302 2.960 20 0 GFADRO C[NH+](C)[C@]1(CNS(=O)(=O)c2c(Cl)cc(F)cc2Cl)CCSC1 ZINC000435444502 563651947 /nfs/dbraw/zinc/65/19/47/563651947.db2.gz YDYOAICLWCVZEP-ZDUSSCGKSA-N 1 0 387.329 2.848 20 0 GFADRO O=C(N[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1cc[nH]c(=O)c1Br ZINC000435614609 563654861 /nfs/dbraw/zinc/65/48/61/563654861.db2.gz MXXVHJPQJCKABI-AWEZNQCLSA-N 1 0 390.281 2.944 20 0 GFADRO CN(C(=O)CCNC(=O)Nc1ccc(Br)cc1)[C@H]1CCC[NH2+]CC1 ZINC000435746258 563657753 /nfs/dbraw/zinc/65/77/53/563657753.db2.gz VRAANDLLCNQDIF-HNNXBMFYSA-N 1 0 397.317 2.561 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@H]1CC(=O)Nc2ccc(Br)cc21 ZINC000435919564 563660854 /nfs/dbraw/zinc/66/08/54/563660854.db2.gz ZEIOTHPCWMGJGA-DOMZBBRYSA-N 1 0 394.313 2.866 20 0 GFADRO OC[C@H]([NH2+]Cc1ccc(I)c(Cl)c1)[C@@H]1CCCO1 ZINC000436114935 563664951 /nfs/dbraw/zinc/66/49/51/563664951.db2.gz MNLBYDHIIYYOOL-STQMWFEESA-N 1 0 381.641 2.574 20 0 GFADRO C[C@H](O)c1ncc(C[NH2+]C[C@@H](O)COc2ccc(C(F)(F)F)cc2)s1 ZINC000289203520 563671635 /nfs/dbraw/zinc/67/16/35/563671635.db2.gz HVXQUOQGHBJJQW-CMPLNLGQSA-N 1 0 376.400 2.745 20 0 GFADRO C[N@@H+]1CC[C@H]2CCN(C(=O)Nc3cnc4c(Br)cccn34)[C@@H]2C1 ZINC000436500047 563672555 /nfs/dbraw/zinc/67/25/55/563672555.db2.gz UESMYSYADSAVPU-WCQYABFASA-N 1 0 378.274 2.655 20 0 GFADRO COc1cc(C[N@H+](C)[C@@H]2CCC[C@H]2O)cc(I)c1OC ZINC000289550397 563677652 /nfs/dbraw/zinc/67/76/52/563677652.db2.gz IMMKNAWSIXLMNZ-CHWSQXEVSA-N 1 0 391.249 2.654 20 0 GFADRO Cn1c(COc2ccccc2Cl)nnc1SCC[N@@H+]1CCCOCC1 ZINC000412982366 563678225 /nfs/dbraw/zinc/67/82/25/563678225.db2.gz IPVNNJAUPOJKDI-UHFFFAOYSA-N 1 0 382.917 2.862 20 0 GFADRO Brc1c(C[NH2+]CCc2cn3c(n2)SCC3)nc2ccccn12 ZINC000289566506 563678546 /nfs/dbraw/zinc/67/85/46/563678546.db2.gz HDTANBWBZMHRPW-UHFFFAOYSA-N 1 0 378.299 2.731 20 0 GFADRO c1ccc(C[N@H+]2CC[C@@H](Sc3nnc(NC[C@H]4CCCO4)s3)C2)cc1 ZINC000412993410 563678657 /nfs/dbraw/zinc/67/86/57/563678657.db2.gz XWELNFLATMOERQ-HZPDHXFCSA-N 1 0 376.551 3.496 20 0 GFADRO C[C@@H]1[C@H](N2CCOCC2)CC[N@@H+]1C[C@H](O)COc1ccc(Cl)cc1Cl ZINC000289653265 563682097 /nfs/dbraw/zinc/68/20/97/563682097.db2.gz DVJYSDPVAYGCDU-UKPHBRMFSA-N 1 0 389.323 2.528 20 0 GFADRO CN(C)[C@H](C[NH2+][C@@H]1CCCc2ccc(S(N)(=O)=O)cc21)c1ccsc1 ZINC000289696110 563683421 /nfs/dbraw/zinc/68/34/21/563683421.db2.gz KDLUZODMXIZSQF-QZTJIDSGSA-N 1 0 379.551 2.665 20 0 GFADRO COc1cc(C[NH2+]CC[S@@](=O)C(C)(C)C)cc(OC)c1OCC(F)F ZINC000289795956 563687073 /nfs/dbraw/zinc/68/70/73/563687073.db2.gz QWYNUROBHZVAFY-RUZDIDTESA-N 1 0 379.469 2.985 20 0 GFADRO CCOC(=O)N1CCC([NH2+]Cc2cn3ccc(Br)cc3n2)CC1 ZINC000289830375 563688094 /nfs/dbraw/zinc/68/80/94/563688094.db2.gz JRQQLAUJCJXKBR-UHFFFAOYSA-N 1 0 381.274 2.807 20 0 GFADRO COC(=O)CC[C@H]([NH3+])C(=O)NCCSCc1ccc(Cl)cc1Cl ZINC000289851657 563688768 /nfs/dbraw/zinc/68/87/68/563688768.db2.gz KSQCKOZBNZLCLV-ZDUSSCGKSA-N 1 0 379.309 2.623 20 0 GFADRO Cc1c(C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)cnn1-c1ccc(Br)cc1 ZINC000289987361 563693661 /nfs/dbraw/zinc/69/36/61/563693661.db2.gz YECDHQZGWYHNQT-ZIAGYGMSSA-N 1 0 389.297 2.625 20 0 GFADRO O=C(Nc1cccc(Br)c1)N1CCC[C@H]1C[N@H+]1CCC[C@H]1CO ZINC000360890012 563695021 /nfs/dbraw/zinc/69/50/21/563695021.db2.gz QAJWBSFXXWPRSG-HOTGVXAUSA-N 1 0 382.302 2.902 20 0 GFADRO COc1ccc([C@H]([NH2+]C[C@H]2CN(C)CCN2C)C(C)C)c(Br)c1 ZINC000290019410 563694970 /nfs/dbraw/zinc/69/49/70/563694970.db2.gz ZWVNFPDSULOCDN-KBXCAEBGSA-N 1 0 384.362 2.990 20 0 GFADRO C[C@@H]1[C@H](N2CCOCC2)CC[N@@H+]1CCC(=O)Nc1ccc(Br)cc1 ZINC000290014094 563695488 /nfs/dbraw/zinc/69/54/88/563695488.db2.gz ZVZIUTLCSILXRS-RHSMWYFYSA-N 1 0 396.329 2.573 20 0 GFADRO O=C(C[N@@H+]1CCS[C@@H]2CCCC[C@@H]21)N1CCN(Cc2ccsc2)CC1 ZINC000437507305 563696134 /nfs/dbraw/zinc/69/61/34/563696134.db2.gz LULHOFUACDCAES-ZWKOTPCHSA-N 1 0 379.595 2.752 20 0 GFADRO COc1cc(C(=O)N2CC[C@H]3CC[N@H+](C)[C@@H]3C2)cc(OC)c1Br ZINC000361907983 563702170 /nfs/dbraw/zinc/70/21/70/563702170.db2.gz MTIDFIZNIKPSQP-DGCLKSJQSA-N 1 0 383.286 2.633 20 0 GFADRO CC(C)S(=O)(=O)CC[NH2+][C@H](C)CC(=O)Nc1cccc(Br)c1 ZINC000290238796 563702801 /nfs/dbraw/zinc/70/28/01/563702801.db2.gz JBVBEQWJGNRKCR-GFCCVEGCSA-N 1 0 391.331 2.579 20 0 GFADRO Cc1c(C(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)cnn1-c1cccc(Br)c1 ZINC000290267165 563703282 /nfs/dbraw/zinc/70/32/82/563703282.db2.gz YCJJTJKEYLJGTK-UONOGXRCSA-N 1 0 389.297 2.625 20 0 GFADRO Cc1c(C(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)cnn1-c1cccc(Br)c1 ZINC000290267163 563703305 /nfs/dbraw/zinc/70/33/05/563703305.db2.gz YCJJTJKEYLJGTK-KGLIPLIRSA-N 1 0 389.297 2.625 20 0 GFADRO Cc1ccc(Br)c(CNC(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)c1 ZINC000413734755 563703714 /nfs/dbraw/zinc/70/37/14/563703714.db2.gz FSDNKIGIJRGRJD-OAHLLOKOSA-N 1 0 396.329 2.621 20 0 GFADRO O=C(N[C@H](CO)C[NH+]1CCCCC1)c1nc2ccccc2cc1Br ZINC000413801328 563705620 /nfs/dbraw/zinc/70/56/20/563705620.db2.gz RSAYCAFCDBWZJQ-AWEZNQCLSA-N 1 0 392.297 2.574 20 0 GFADRO O=C(N[C@H](CO)C[NH+]1CCCCC1)c1cc(Cl)c(Br)cc1F ZINC000413795702 563705917 /nfs/dbraw/zinc/70/59/17/563705917.db2.gz FTFKSDFSIMCXHL-JTQLQIEISA-N 1 0 393.684 2.818 20 0 GFADRO CC(C)[C@H]1CC[N@H+](CC(=O)Nc2ccc(Cl)c(S(=O)(=O)N(C)C)c2)C1 ZINC000438482107 563705966 /nfs/dbraw/zinc/70/59/66/563705966.db2.gz KBSDNEMBLMPLND-ZDUSSCGKSA-N 1 0 387.933 2.507 20 0 GFADRO COC(=O)c1cc(NC(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)ccc1Br ZINC000362466682 563707007 /nfs/dbraw/zinc/70/70/07/563707007.db2.gz CEDFFZREEJWHMO-CYBMUJFWSA-N 1 0 396.285 2.938 20 0 GFADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cn1nc(C(F)(F)F)c(Cl)c1C ZINC000290388414 563707583 /nfs/dbraw/zinc/70/75/83/563707583.db2.gz MFIZGCIEGVSRKZ-NEPJUHHUSA-N 1 0 378.826 2.949 20 0 GFADRO Cc1cccc(NC(=O)C(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)c1Br ZINC000438763807 563710222 /nfs/dbraw/zinc/71/02/22/563710222.db2.gz IOXGSWKDUVJCSS-ZDUSSCGKSA-N 1 0 396.329 2.885 20 0 GFADRO COC(=O)[C@H]1CN(C(=O)CCCc2cc(Cl)sc2Cl)CC[N@H+](C)C1 ZINC000413911840 563710306 /nfs/dbraw/zinc/71/03/06/563710306.db2.gz ZFCAXARAIPPOOB-GFCCVEGCSA-N 1 0 393.336 2.941 20 0 GFADRO COC(=O)[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2cccc(Cl)c2Cl)CC[N@H+](C)C1 ZINC000413915264 563710323 /nfs/dbraw/zinc/71/03/23/563710323.db2.gz HLGLRPPYBVVXQL-KWCYVHTRSA-N 1 0 385.291 2.660 20 0 GFADRO O=C(C[C@@H]1Sc2ccc(Cl)cc2NC1=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000363020824 563711706 /nfs/dbraw/zinc/71/17/06/563711706.db2.gz VPGPSLMNAQEBMB-XEZPLFJOSA-N 1 0 379.913 2.886 20 0 GFADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)[C@H]1C[C@H]1c1ccc(Br)cc1 ZINC000362993071 563711811 /nfs/dbraw/zinc/71/18/11/563711811.db2.gz CQCZPSGPXHCLQL-NCOADZHNSA-N 1 0 379.298 2.532 20 0 GFADRO CN(C(=O)[C@@H]1CCCN(c2ccc(Br)cn2)C1)C1CC[NH+](C)CC1 ZINC000363078737 563714440 /nfs/dbraw/zinc/71/44/40/563714440.db2.gz BXUQWUSTMDYFGB-CQSZACIVSA-N 1 0 395.345 2.613 20 0 GFADRO CC[NH+](CC)CC[C@H](CO)NC(=O)Nc1ccc(F)cc1Br ZINC000439027099 563716117 /nfs/dbraw/zinc/71/61/17/563716117.db2.gz HTEKHWGQXCMSEP-GFCCVEGCSA-N 1 0 376.270 2.803 20 0 GFADRO O=S(=O)(c1ccc(F)c(Br)c1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000439225252 563719472 /nfs/dbraw/zinc/71/94/72/563719472.db2.gz RMRNNIXUCYAPHS-GFCCVEGCSA-N 1 0 391.306 2.695 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2C(=O)Cc1ccc(Br)s1 ZINC000363332167 563719566 /nfs/dbraw/zinc/71/95/66/563719566.db2.gz VCLJRLXCJQKIMH-XBFCOCLRSA-N 1 0 387.343 2.763 20 0 GFADRO C[N@@H+]1CC[C@H]2[C@H](CCCN2S(=O)(=O)c2ccc(F)cc2Br)C1 ZINC000363331469 563719921 /nfs/dbraw/zinc/71/99/21/563719921.db2.gz JOSBNTIUIAFXCZ-RISCZKNCSA-N 1 0 391.306 2.693 20 0 GFADRO CN1CC[NH+](C[C@H]2CCCN(C(=O)c3csc(Br)c3)C2)CC1 ZINC000363381265 563721301 /nfs/dbraw/zinc/72/13/01/563721301.db2.gz BKLDNJMSMRRKCV-CYBMUJFWSA-N 1 0 386.359 2.610 20 0 GFADRO O[C@@H](COCc1ccccc1)C[NH+]1CCC(n2cc(Br)cn2)CC1 ZINC000363397418 563721472 /nfs/dbraw/zinc/72/14/72/563721472.db2.gz OMJLIGTUROVEIK-GOSISDBHSA-N 1 0 394.313 2.860 20 0 GFADRO COCCCN(C(=O)Cc1cccc(Br)c1)C1CC[NH+](C)CC1 ZINC000290809359 563721893 /nfs/dbraw/zinc/72/18/93/563721893.db2.gz AWSWUSAIEFZVHJ-UHFFFAOYSA-N 1 0 383.330 2.951 20 0 GFADRO C[C@H]([NH2+]C[C@H](CO)Cc1cc(F)cc(Br)c1)C(C)(C)n1cncn1 ZINC000414204111 563722498 /nfs/dbraw/zinc/72/24/98/563722498.db2.gz ZYTQRNUEGLHSAX-GXTWGEPZSA-N 1 0 399.308 2.744 20 0 GFADRO Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000290812676 563722563 /nfs/dbraw/zinc/72/25/63/563722563.db2.gz OAYBUYYLQGLVBL-LBPRGKRZSA-N 1 0 378.826 2.951 20 0 GFADRO C[C@H]([NH2+][C@H]1CS[C@H](C)C1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000414224416 563723467 /nfs/dbraw/zinc/72/34/67/563723467.db2.gz HUCCCLPHHUAWMY-WCABBAIRSA-N 1 0 379.345 2.641 20 0 GFADRO C[C@H](O)[C@H]1CCCC[N@@H+]1C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000439428383 563723830 /nfs/dbraw/zinc/72/38/30/563723830.db2.gz FSFDFZOXTRXPLN-SGIREYDYSA-N 1 0 376.266 2.563 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+][C@H](c2ccccc2)[C@H]2CCCO2)cc1Cl ZINC000414291556 563725159 /nfs/dbraw/zinc/72/51/59/563725159.db2.gz BEIWYDNPUUGXBN-SJLPKXTDSA-N 1 0 380.897 2.997 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+][C@@H](c2ccccc2)[C@@H]2CCCO2)cc1Cl ZINC000414291557 563725178 /nfs/dbraw/zinc/72/51/78/563725178.db2.gz BEIWYDNPUUGXBN-WMZOPIPTSA-N 1 0 380.897 2.997 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+]CCCOCCc2ccccc2)cc1Cl ZINC000414295071 563725528 /nfs/dbraw/zinc/72/55/28/563725528.db2.gz QPUOKIJUORTBQS-UHFFFAOYSA-N 1 0 382.913 2.726 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC3)C2)c(Br)c1 ZINC000439592932 563728966 /nfs/dbraw/zinc/72/89/66/563728966.db2.gz FCZPYTKRMPYJIW-CQSZACIVSA-N 1 0 394.313 2.700 20 0 GFADRO O=C(CN1CCC[C@H]1C[N@H+]1CCC[C@@H]1CO)Nc1cccc(Cl)c1Cl ZINC000363638091 563728954 /nfs/dbraw/zinc/72/89/54/563728954.db2.gz PWITUNFCXARNLY-UONOGXRCSA-N 1 0 386.323 2.853 20 0 GFADRO CN1CC[C@H]([NH2+]Cc2ccc(S(N)(=O)=O)c(Cl)c2)[C@H]1c1ccccc1 ZINC000414361840 563729311 /nfs/dbraw/zinc/72/93/11/563729311.db2.gz DBXYXEZFRDUYKM-FUHWJXTLSA-N 1 0 379.913 2.522 20 0 GFADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)CCc3ccccc3Br)CC2)C1 ZINC000363661229 563729423 /nfs/dbraw/zinc/72/94/23/563729423.db2.gz QMPUZAVIMIDBFW-KRWDZBQOSA-N 1 0 394.357 2.620 20 0 GFADRO CC[NH+](CC)C[C@H]1CCCC[C@H]1NCc1ccc(S(N)(=O)=O)c(Cl)c1 ZINC000414370685 563730067 /nfs/dbraw/zinc/73/00/67/563730067.db2.gz VRHWPSUVPRFPHW-NVXWUHKLSA-N 1 0 387.977 2.978 20 0 GFADRO CC(C)CSCCC[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000414368830 563730125 /nfs/dbraw/zinc/73/01/25/563730125.db2.gz SXOWSLXFTSXOTA-UHFFFAOYSA-N 1 0 395.388 2.965 20 0 GFADRO CN1C(=O)C[C@@H]([NH2+]Cc2ccc(S(C)(=O)=O)s2)[C@H]1c1ccc(Cl)cc1 ZINC000414372242 563730524 /nfs/dbraw/zinc/73/05/24/563730524.db2.gz ZJRVAQCSTQHVHG-RHSMWYFYSA-N 1 0 398.937 2.867 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+]CCCc2ccc(O)cc2)cc1Br ZINC000414399924 563733756 /nfs/dbraw/zinc/73/37/56/563733756.db2.gz YFCDXQNQENSAER-UHFFFAOYSA-N 1 0 399.310 2.525 20 0 GFADRO C[C@H](C[S@@](C)=O)[NH2+][C@@H]1CCCOc2ccc(I)cc21 ZINC000363808952 563733978 /nfs/dbraw/zinc/73/39/78/563733978.db2.gz APRGCRAHQDCCQE-NMLGDKRHSA-N 1 0 393.290 2.862 20 0 GFADRO COc1ccc(CC[NH2+]C2CCN(S(=O)(=O)c3cccs3)CC2)cc1 ZINC000363815654 563734191 /nfs/dbraw/zinc/73/41/91/563734191.db2.gz GEFKBMFHWKVLRH-UHFFFAOYSA-N 1 0 380.535 2.742 20 0 GFADRO CCC(CC)[C@@H](CNS(=O)(=O)c1ccc(NC(C)=O)c(Cl)c1)[NH+](C)C ZINC000440072541 563735185 /nfs/dbraw/zinc/73/51/85/563735185.db2.gz DBROXYBCCMSIFQ-QGZVFWFLSA-N 1 0 389.949 2.943 20 0 GFADRO CC[NH+]1CCN(c2cccc(NCc3ccc(S(C)(=O)=O)s3)c2)CC1 ZINC000414425460 563735923 /nfs/dbraw/zinc/73/59/23/563735923.db2.gz ADBDVRSFCRUHRB-UHFFFAOYSA-N 1 0 379.551 2.906 20 0 GFADRO COCC[C@@H]1COCC[N@@H+]1CCC(=O)Nc1ccc(Br)cc1F ZINC000291243209 563736462 /nfs/dbraw/zinc/73/64/62/563736462.db2.gz NIOVEDMVFPZLFY-CYBMUJFWSA-N 1 0 389.265 2.654 20 0 GFADRO CS(=O)(=O)c1ccc(CN2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)s1 ZINC000414451093 563738806 /nfs/dbraw/zinc/73/88/06/563738806.db2.gz ZOUVWXFQCWJFAN-CALCHBBNSA-N 1 0 376.547 2.715 20 0 GFADRO COc1cc(C)c(Br)cc1S(=O)(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000440412984 563741555 /nfs/dbraw/zinc/74/15/55/563741555.db2.gz WGRUDEGHTOXKPX-VXGBXAGGSA-N 1 0 391.331 2.514 20 0 GFADRO CCOCCNC(=O)C[NH+]1CCC(C)(c2ccc(Br)cc2)CC1 ZINC000440500458 563743103 /nfs/dbraw/zinc/74/31/03/563743103.db2.gz OOCTWNIDGVVYSR-UHFFFAOYSA-N 1 0 383.330 2.955 20 0 GFADRO CCOc1cc(CN2CC[C@@H](C[NH+]3CCOCC3)C2)cc(Br)c1O ZINC000291457117 563744045 /nfs/dbraw/zinc/74/40/45/563744045.db2.gz MVNITWLRPDMBDH-AWEZNQCLSA-N 1 0 399.329 2.708 20 0 GFADRO C[C@]1(C[NH2+][C@@H](C(N)=O)c2ccc(Br)cc2F)CCO[C@@H]1C1CC1 ZINC000364136992 563744612 /nfs/dbraw/zinc/74/46/12/563744612.db2.gz DNVCKUYEAQFRJE-BFYDXBDKSA-N 1 0 385.277 2.909 20 0 GFADRO CCOc1cc(C[NH2+]C[C@H]2CNC(=O)C2)cc(Br)c1OC(F)F ZINC000414491483 563744639 /nfs/dbraw/zinc/74/46/39/563744639.db2.gz ZDVYNOGCTUWFEC-JTQLQIEISA-N 1 0 393.228 2.675 20 0 GFADRO CC(C)(O)C[N@@H+]1CCCN(C(=O)CCc2cc(Br)cs2)CC1 ZINC000364140559 563744762 /nfs/dbraw/zinc/74/47/62/563744762.db2.gz GYCQUCRJLHVYNW-UHFFFAOYSA-N 1 0 389.359 2.748 20 0 GFADRO CCOc1cc(C[NH2+]CCC(C)(C)S(C)(=O)=O)cc(Br)c1O ZINC000414512712 563745172 /nfs/dbraw/zinc/74/51/72/563745172.db2.gz CXSKZGSLADMEFM-UHFFFAOYSA-N 1 0 394.331 2.856 20 0 GFADRO C[NH+]1CCC(Oc2cc(NC(=O)c3cccnc3Br)ccn2)CC1 ZINC000364164011 563745430 /nfs/dbraw/zinc/74/54/30/563745430.db2.gz ALTSBUKZZWQNMK-UHFFFAOYSA-N 1 0 391.269 2.964 20 0 GFADRO CCOc1cc(C[NH2+][C@H](CO)[C@@H]2CCCOC2)cc(Br)c1OC ZINC000414547833 563746320 /nfs/dbraw/zinc/74/63/20/563746320.db2.gz GWPBXFFWARHRKI-UKRRQHHQSA-N 1 0 388.302 2.734 20 0 GFADRO C[C@H](NS(=O)(=O)c1cc(Cl)ccc1Br)[C@H]1CCC[NH2+]C1 ZINC000440732751 563748763 /nfs/dbraw/zinc/74/87/63/563748763.db2.gz IHXQHEOYDDDCKI-UWVGGRQHSA-N 1 0 381.723 2.769 20 0 GFADRO O=S(=O)(c1cccc(Cl)c1Br)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000440761905 563749553 /nfs/dbraw/zinc/74/95/53/563749553.db2.gz PYUFEEAEFANXPE-SNVBAGLBSA-N 1 0 379.707 2.618 20 0 GFADRO Cc1nn(C)c(N2CCC[N@H+](C)CC2)c1CNCc1ccc(Br)o1 ZINC000364330619 563749575 /nfs/dbraw/zinc/74/95/75/563749575.db2.gz IOQBNMJJKRQBNY-UHFFFAOYSA-N 1 0 396.333 2.516 20 0 GFADRO O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000414695800 563750066 /nfs/dbraw/zinc/75/00/66/563750066.db2.gz PDBZEBUXEPZRGL-GFCCVEGCSA-N 1 0 376.810 2.870 20 0 GFADRO O=C(CN1CCC[C@@H]1C[N@H+]1CCC[C@H]1CO)Nc1cc(Cl)ccc1Cl ZINC000364354630 563750646 /nfs/dbraw/zinc/75/06/46/563750646.db2.gz AQRXUIHOZIZQGU-CABCVRRESA-N 1 0 386.323 2.853 20 0 GFADRO COC[C@@]1(CNC(=O)Nc2ccc(Br)cc2Cl)CCC[NH2+]1 ZINC000414709997 563751059 /nfs/dbraw/zinc/75/10/59/563751059.db2.gz FWBFLLWNSZOEKU-AWEZNQCLSA-N 1 0 376.682 2.993 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)Nc2nnc(SCc3ccccc3)s2)C1 ZINC000414713781 563751086 /nfs/dbraw/zinc/75/10/86/563751086.db2.gz UIWBXJWDARTHLP-GXTWGEPZSA-N 1 0 377.539 3.422 20 0 GFADRO Cc1ccc(S(=O)(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)cc1Br ZINC000440860097 563752416 /nfs/dbraw/zinc/75/24/16/563752416.db2.gz JUOIWEXKYVNXSP-INIZCTEOSA-N 1 0 387.343 2.910 20 0 GFADRO O=C(NCC1=CC[NH2+]CC1)Nc1ccc(I)cc1Cl ZINC000414798418 563752832 /nfs/dbraw/zinc/75/28/32/563752832.db2.gz QLIQWXDMQGLGEX-UHFFFAOYSA-N 1 0 391.640 2.986 20 0 GFADRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)c2nc(C3CC3)ncc2Br)C1 ZINC000291674346 563752903 /nfs/dbraw/zinc/75/29/03/563752903.db2.gz CWCIMGXVZCDORE-LBPRGKRZSA-N 1 0 381.318 2.824 20 0 GFADRO COc1ccc(CNCCC[NH2+]Cc2cccnc2)c(Br)c1O ZINC000414877245 563753389 /nfs/dbraw/zinc/75/33/89/563753389.db2.gz LUHHQDDDSHOIKO-UHFFFAOYSA-N 1 0 380.286 2.828 20 0 GFADRO CCOC(=O)COc1c(Br)cc(C)cc1CNC[C@@H]1CCC[NH2+]1 ZINC000414849983 563753675 /nfs/dbraw/zinc/75/36/75/563753675.db2.gz RVBOIQDXJFGYPV-AWEZNQCLSA-N 1 0 385.302 2.541 20 0 GFADRO [NH3+]C1(CNC(=O)Nc2ccc(I)cc2Cl)CCC1 ZINC000414805432 563753928 /nfs/dbraw/zinc/75/39/28/563753928.db2.gz YLWJUEWZNAKKMB-UHFFFAOYSA-N 1 0 379.629 2.948 20 0 GFADRO CCOC(=O)COc1c(Br)cc(C)cc1CN[C@@H]1CC[NH2+]C[C@H]1C ZINC000414930896 563754264 /nfs/dbraw/zinc/75/42/64/563754264.db2.gz BLCLRBZLTPPLGS-CZUORRHYSA-N 1 0 399.329 2.787 20 0 GFADRO COC[C@]1(CNCc2ccc(OC(F)F)c(Br)c2)CCC[NH2+]1 ZINC000414936255 563754493 /nfs/dbraw/zinc/75/44/93/563754493.db2.gz BUUZLKCUPRUMID-OAHLLOKOSA-N 1 0 379.245 2.909 20 0 GFADRO CCOc1c(Br)cc(CNC[C@@]2(COC)CCC[NH2+]2)cc1OC ZINC000414946838 563755164 /nfs/dbraw/zinc/75/51/64/563755164.db2.gz TYHXOPVELAOCQI-QGZVFWFLSA-N 1 0 387.318 2.715 20 0 GFADRO Cn1ncc(Br)c1CN[C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000414959741 563755257 /nfs/dbraw/zinc/75/52/57/563755257.db2.gz QFEOMJZASPDGSK-NHYWBVRUSA-N 1 0 385.256 2.696 20 0 GFADRO COc1cc(CN[C@H]2CC[NH2+][C@H](C)C2)cc(I)c1OC ZINC000414948968 563755391 /nfs/dbraw/zinc/75/53/91/563755391.db2.gz MYMRJWVMHZGHBV-PWSUYJOCSA-N 1 0 390.265 2.539 20 0 GFADRO COc1cc(Br)c(NC(=O)N2CC[C@H](C)[C@H](C[NH3+])C2)cc1OC ZINC000414987777 563756489 /nfs/dbraw/zinc/75/64/89/563756489.db2.gz DYPMPKNEMOSABG-WDEREUQCSA-N 1 0 386.290 2.915 20 0 GFADRO C[NH+](C)CC1(CNC(=O)c2nc(C3CC3)ncc2Br)CCCC1 ZINC000291745801 563756554 /nfs/dbraw/zinc/75/65/54/563756554.db2.gz KYWNTEFZBAHOFL-UHFFFAOYSA-N 1 0 381.318 2.968 20 0 GFADRO C[C@H]1[C@H](NC(=O)c2cnn(C)c2Br)CC[N@@H+]1Cc1ccccc1 ZINC000291735878 563756567 /nfs/dbraw/zinc/75/65/67/563756567.db2.gz IRQAGMSECUTOHC-SWLSCSKDSA-N 1 0 377.286 2.575 20 0 GFADRO COCc1ccc(C[NH2+]CCNS(=O)(=O)c2ccc(Cl)cc2F)cc1 ZINC000441325287 563757503 /nfs/dbraw/zinc/75/75/03/563757503.db2.gz BMSAEWJJFZISKT-UHFFFAOYSA-N 1 0 386.876 2.694 20 0 GFADRO C[NH2+][C@H]1CCCN(C(=O)Nc2cc(OC)ccc2I)C1 ZINC000415070196 563758005 /nfs/dbraw/zinc/75/80/05/563758005.db2.gz ICKYLMARWZEWAX-JTQLQIEISA-N 1 0 389.237 2.516 20 0 GFADRO CN(Cc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1)C[C@H](O)C[NH3+] ZINC000415068642 563758115 /nfs/dbraw/zinc/75/81/15/563758115.db2.gz NHMFNABAOJAURR-OAHLLOKOSA-N 1 0 382.291 2.997 20 0 GFADRO FC(F)(F)Oc1ccc(CNC[C@@H]2C[NH2+]CCCO2)cc1Br ZINC000415048852 563758156 /nfs/dbraw/zinc/75/81/56/563758156.db2.gz XMFSAHUQXWLHNK-NSHDSACASA-N 1 0 383.208 2.816 20 0 GFADRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)S(=O)(=O)CCc1ccccc1Br ZINC000291774579 563758218 /nfs/dbraw/zinc/75/82/18/563758218.db2.gz WDVISUFXJRZSJC-XJKSGUPXSA-N 1 0 389.359 2.593 20 0 GFADRO CCCN(CC[NH+](CC)CC)C(=O)C(=O)Nc1ncc(C(F)(F)F)s1 ZINC000291771740 563758245 /nfs/dbraw/zinc/75/82/45/563758245.db2.gz OEHQMQOWUTXJCJ-UHFFFAOYSA-N 1 0 380.436 2.681 20 0 GFADRO CC(C)n1ncc2c1C[C@@H]([NH2+][C@H](C(N)=O)c1cccc(Br)c1)CC2 ZINC000364583651 563758717 /nfs/dbraw/zinc/75/87/17/563758717.db2.gz UJPKZSIOYFKQDI-RDJZCZTQSA-N 1 0 391.313 2.900 20 0 GFADRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)Nc1cc(F)c(I)c(F)c1 ZINC000415125145 563760452 /nfs/dbraw/zinc/76/04/52/563760452.db2.gz RWBGIZMANMINFV-YUMQZZPRSA-N 1 0 395.191 2.770 20 0 GFADRO C[C@H]1CCCN1C(=O)CC[N@H+](CCO)Cc1cc(Br)ccc1F ZINC000441467078 563760678 /nfs/dbraw/zinc/76/06/78/563760678.db2.gz BKWGIMHZIHAKKD-ZDUSSCGKSA-N 1 0 387.293 2.784 20 0 GFADRO C[N@@H+]1CC[C@]2(CCN([C@@H]3CC(=O)N(c4cccc(Cl)c4Cl)C3=O)C2)C1 ZINC000291854680 563761701 /nfs/dbraw/zinc/76/17/01/563761701.db2.gz IEAADDSAOJJCFG-KDOFPFPSSA-N 1 0 382.291 2.653 20 0 GFADRO Cc1ccc(Br)c(NC(=O)C(=O)N2CCCC23CC[NH+](C)CC3)c1 ZINC000364782139 563764020 /nfs/dbraw/zinc/76/40/20/563764020.db2.gz YOQLMBKARKYPFS-UHFFFAOYSA-N 1 0 394.313 2.783 20 0 GFADRO C[C@H]1CN(C(=O)Nc2ccc(F)cc2I)CC[C@H]1[NH3+] ZINC000415252755 563764396 /nfs/dbraw/zinc/76/43/96/563764396.db2.gz OWSFMVMYAWPPOE-GZMMTYOYSA-N 1 0 377.201 2.631 20 0 GFADRO CC[NH+](CC)CCCNS(=O)(=O)c1cnn(-c2ccc(Cl)cc2)c1C ZINC000441801630 563764432 /nfs/dbraw/zinc/76/44/32/563764432.db2.gz NDQBCHNIUSATCA-UHFFFAOYSA-N 1 0 384.933 2.844 20 0 GFADRO CN(C(=O)c1cnn(-c2cccc(Br)c2)c1)[C@@H]1CCC[NH2+]CC1 ZINC000364800553 563764745 /nfs/dbraw/zinc/76/47/45/563764745.db2.gz OEDRAFHAQOLVCL-OAHLLOKOSA-N 1 0 377.286 2.849 20 0 GFADRO COCCCN(C(=O)[C@@H](O)c1cc(Cl)cc(Cl)c1)C1CC[NH+](C)CC1 ZINC000291920824 563764855 /nfs/dbraw/zinc/76/48/55/563764855.db2.gz USPQJVIXYNUWRH-KRWDZBQOSA-N 1 0 389.323 2.986 20 0 GFADRO [NH3+][C@H](CNC(=O)Nc1ccc(Cl)cc1I)C1CC1 ZINC000415283368 563765494 /nfs/dbraw/zinc/76/54/94/563765494.db2.gz MWNPKKDLQCXRCZ-SNVBAGLBSA-N 1 0 379.629 2.803 20 0 GFADRO O=C(Nc1ccc(Cl)cc1I)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000415287968 563765642 /nfs/dbraw/zinc/76/56/42/563765642.db2.gz YYNWFNPNFPOAMM-DTORHVGOSA-N 1 0 391.640 2.628 20 0 GFADRO C[NH2+][C@@H]1CCN(C(=O)C(=O)Nc2ccc(Br)c(Cl)c2Cl)C1 ZINC000415292785 563765885 /nfs/dbraw/zinc/76/58/85/563765885.db2.gz CDISIJQHLYUBHN-SSDOTTSWSA-N 1 0 395.084 2.515 20 0 GFADRO Cc1cnc(Br)c(NC(=O)N2CC[N@H+](C3CCOCC3)C[C@@H]2C)c1 ZINC000291970157 563766869 /nfs/dbraw/zinc/76/68/69/563766869.db2.gz DNDJFNULWCSMCE-ZDUSSCGKSA-N 1 0 397.317 2.870 20 0 GFADRO COC(=O)c1ccc(S(=O)(=O)NCC(C)(C)[NH+]2CCCCC2)cc1Cl ZINC000441987988 563767017 /nfs/dbraw/zinc/76/70/17/563767017.db2.gz MFLKLIIPYJTSJH-UHFFFAOYSA-N 1 0 388.917 2.669 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000442161981 563768315 /nfs/dbraw/zinc/76/83/15/563768315.db2.gz SVMGPFYSVOPZTJ-GXTWGEPZSA-N 1 0 382.302 2.603 20 0 GFADRO C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)Nc1cc(F)c(Br)cc1F ZINC000415348657 563768822 /nfs/dbraw/zinc/76/88/22/563768822.db2.gz FMMWTOSTRDWVBH-KRTXAFLBSA-N 1 0 378.217 2.962 20 0 GFADRO CCOC(=O)c1cc(Br)ccc1NC(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000415348513 563768932 /nfs/dbraw/zinc/76/89/32/563768932.db2.gz KWPNYDYFZTZIMM-BXUZGUMPSA-N 1 0 396.285 2.842 20 0 GFADRO CCOC(=O)c1cc(Br)ccc1NC(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000415351370 563769264 /nfs/dbraw/zinc/76/92/64/563769264.db2.gz NXQHPJLTMFKZLT-ZYHUDNBSSA-N 1 0 384.274 2.875 20 0 GFADRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)Nc1cnn(-c2ccccc2Br)c1 ZINC000415350633 563769297 /nfs/dbraw/zinc/76/92/97/563769297.db2.gz GHHQYJBEZNWXIT-RISCZKNCSA-N 1 0 378.274 2.754 20 0 GFADRO C[C@@H](CO)[N@@H+]1CCCN(C(=O)c2csc(-c3ccccc3Cl)n2)CC1 ZINC000364933481 563769426 /nfs/dbraw/zinc/76/94/26/563769426.db2.gz ILPMMUJCNLQUCE-ZDUSSCGKSA-N 1 0 379.913 2.992 20 0 GFADRO O=C(NC[C@H]1CCC[NH2+]C1)Nc1cnn(-c2ccccc2Br)c1 ZINC000415358406 563769858 /nfs/dbraw/zinc/76/98/58/563769858.db2.gz UACLOTNQADSDGN-LBPRGKRZSA-N 1 0 378.274 2.756 20 0 GFADRO Cc1cnc(Br)c(NC(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000292029100 563770417 /nfs/dbraw/zinc/77/04/17/563770417.db2.gz KLNYMMSFICKUFW-AWEZNQCLSA-N 1 0 397.317 2.729 20 0 GFADRO COC(=O)c1cc(Br)cc(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c1 ZINC000292025773 563770516 /nfs/dbraw/zinc/77/05/16/563770516.db2.gz ZWBSFLMSTHMUOT-LRDDRELGSA-N 1 0 395.297 2.792 20 0 GFADRO C[C@@H]([NH3+])C1CCN(C(=O)C(=O)Nc2ccc(Cl)c(Br)c2)CC1 ZINC000415373167 563771238 /nfs/dbraw/zinc/77/12/38/563771238.db2.gz BZEQKGYQFMDVIY-SECBINFHSA-N 1 0 388.693 2.627 20 0 GFADRO C[C@H]1C[C@@H](NC(=O)Nc2cccc(F)c2I)CC[NH2+]1 ZINC000415364688 563771519 /nfs/dbraw/zinc/77/15/19/563771519.db2.gz SJSQDJNTQNAROC-IUCAKERBSA-N 1 0 377.201 2.692 20 0 GFADRO CO[C@@H]1CCN(C(=O)Nc2cc(F)c(Br)c(F)c2)[C@@H](C[NH3+])C1 ZINC000415400134 563772542 /nfs/dbraw/zinc/77/25/42/563772542.db2.gz FIXHAQXCZNZDBG-NXEZZACHSA-N 1 0 378.217 2.697 20 0 GFADRO COc1cc(NC(=O)N[C@@H]2CC[NH2+]CC2(C)C)cc(OC)c1Br ZINC000415419349 563774099 /nfs/dbraw/zinc/77/40/99/563774099.db2.gz ZSVBJUQUGSHVCP-CYBMUJFWSA-N 1 0 386.290 2.976 20 0 GFADRO C[C@H]1CCN(C(=O)Nc2ccc(S(C)(=O)=O)c(C(F)F)c2)[C@H](C[NH3+])C1 ZINC000415425151 563774162 /nfs/dbraw/zinc/77/41/62/563774162.db2.gz BYOYAQPQOMGUPL-JQWIXIFHSA-N 1 0 375.441 2.619 20 0 GFADRO COCCOc1ccc(Br)cc1NC(=O)N1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000415429637 563774879 /nfs/dbraw/zinc/77/48/79/563774879.db2.gz RUOBMLHJDJTMEH-NEPJUHHUSA-N 1 0 386.290 2.675 20 0 GFADRO [NH3+]CC[C@@H]1CCCN(C(=O)c2ccn(-c3cccc(Br)c3)n2)C1 ZINC000442601350 563774930 /nfs/dbraw/zinc/77/49/30/563774930.db2.gz GKIMHBKAECHLCV-ZDUSSCGKSA-N 1 0 377.286 2.836 20 0 GFADRO COCCOc1ccc(Br)cc1NC(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000415427527 563774999 /nfs/dbraw/zinc/77/49/99/563774999.db2.gz OTWHAVHJWRGYJX-RISCZKNCSA-N 1 0 386.290 2.594 20 0 GFADRO CC(C)[C@H]([NH3+])CNC(=O)C(=O)Nc1ccc(C(F)(F)F)cc1Br ZINC000415437152 563775787 /nfs/dbraw/zinc/77/57/87/563775787.db2.gz KQRXGEPZTJWYGD-SNVBAGLBSA-N 1 0 396.207 2.506 20 0 GFADRO O=C(NCC[NH2+]C1CCCCCC1)C(=O)Nc1ncc(C(F)(F)F)s1 ZINC000415444725 563776255 /nfs/dbraw/zinc/77/62/55/563776255.db2.gz DLIWWNSRYPXYTI-UHFFFAOYSA-N 1 0 378.420 2.529 20 0 GFADRO C[C@@H]1CN(C(=O)C(=O)Nc2cccnc2-c2ccc(Cl)s2)CC[C@@H]1[NH3+] ZINC000415448462 563776311 /nfs/dbraw/zinc/77/63/11/563776311.db2.gz QNRPMUCRCBKENP-MNOVXSKESA-N 1 0 378.885 2.598 20 0 GFADRO CS(=O)(=O)Nc1ccc(C(F)(F)F)cc1NC(=O)CC[C@H]1CCC[NH2+]1 ZINC000292166552 563776771 /nfs/dbraw/zinc/77/67/71/563776771.db2.gz VPKGOOBFHMIVJB-LLVKDONJSA-N 1 0 379.404 2.548 20 0 GFADRO Cc1csc(Sc2ccc(NC(=O)C(=O)NCC(C)(C)[NH3+])c(C)c2)n1 ZINC000415472904 563777651 /nfs/dbraw/zinc/77/76/51/563777651.db2.gz ZSKAIZAYVNKNNJ-UHFFFAOYSA-N 1 0 378.523 2.703 20 0 GFADRO COC(=O)c1cc(Br)c(F)cc1NC(=O)N[C@@H](C[NH3+])C(C)(C)C ZINC000415471927 563777670 /nfs/dbraw/zinc/77/76/70/563777670.db2.gz SOZJAEYNZGUCBW-LBPRGKRZSA-N 1 0 390.253 2.870 20 0 GFADRO CN(C(=O)c1cc(F)ccc1Br)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000365221902 563777640 /nfs/dbraw/zinc/77/76/40/563777640.db2.gz IJNHFNLAGQSYLA-OAHLLOKOSA-N 1 0 398.320 2.829 20 0 GFADRO COC(=O)c1cc(Br)c(F)cc1NC(=O)N[C@@](C)(C[NH3+])C(C)C ZINC000415472832 563777740 /nfs/dbraw/zinc/77/77/40/563777740.db2.gz ZGVOIMCWOBTMSF-HNNXBMFYSA-N 1 0 390.253 2.870 20 0 GFADRO CC(C)C[N@@H+]1CCCC[C@@H]1CNS(=O)(=O)c1cnccc1C(F)(F)F ZINC000442745160 563778142 /nfs/dbraw/zinc/77/81/42/563778142.db2.gz OFLAUTPHCPFNAH-CYBMUJFWSA-N 1 0 379.448 2.889 20 0 GFADRO CCCC[C@H](C[NH3+])NC(=O)C(=O)Nc1ccc(Cl)c(Br)c1 ZINC000415489778 563778859 /nfs/dbraw/zinc/77/88/59/563778859.db2.gz BMTLQCZBFQRLPL-SNVBAGLBSA-N 1 0 376.682 2.675 20 0 GFADRO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)Nc1cc(Br)cnc1-n1cccn1 ZINC000415489904 563779134 /nfs/dbraw/zinc/77/91/34/563779134.db2.gz UYCDSMQYYCFMGG-YPMHNXCESA-N 1 0 393.289 2.669 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)C(=O)N(C)CC[C@@H]([NH3+])C(C)C ZINC000415506894 563780356 /nfs/dbraw/zinc/78/03/56/563780356.db2.gz SIMOQSZGMZNEPP-CQSZACIVSA-N 1 0 384.318 2.782 20 0 GFADRO Cc1ccc(NC(=O)C(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)cc1Br ZINC000415517653 563780867 /nfs/dbraw/zinc/78/08/67/563780867.db2.gz LKYKWIBXIJXQQM-MRXNPFEDSA-N 1 0 394.313 2.687 20 0 GFADRO O=C(Nc1nnc(-c2c(F)cccc2Cl)s1)N[C@@H]1C[NH2+]CCC1(F)F ZINC000415514038 563780976 /nfs/dbraw/zinc/78/09/76/563780976.db2.gz YTKJGGSUTYCZIA-SECBINFHSA-N 1 0 391.806 3.116 20 0 GFADRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)Nc1ccnn1Cc1ccc(Br)cc1 ZINC000415520759 563781427 /nfs/dbraw/zinc/78/14/27/563781427.db2.gz BHBBWWJDSXKDAK-WFASDCNBSA-N 1 0 392.301 2.813 20 0 GFADRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)Nc1ccc(-c2ccc(Cl)s2)nc1 ZINC000415525467 563781807 /nfs/dbraw/zinc/78/18/07/563781807.db2.gz PFOZZCBVYFTLJY-MNOVXSKESA-N 1 0 378.885 2.598 20 0 GFADRO C[NH2+][C@H]1CCCN(C(=O)Nc2ccnn2Cc2ccccc2Br)C1 ZINC000415526423 563782719 /nfs/dbraw/zinc/78/27/19/563782719.db2.gz ZMLUYBGPLWCGLZ-AWEZNQCLSA-N 1 0 392.301 2.910 20 0 GFADRO CC(C)[NH+](CCNC(=O)N[C@H]1C[C@H](C)S(=O)(=O)c2sccc21)C(C)C ZINC000292323743 563782958 /nfs/dbraw/zinc/78/29/58/563782958.db2.gz IQFMQQVQQINLBM-ZFWWWQNUSA-N 1 0 387.571 2.773 20 0 GFADRO Cc1cccc(NC(=O)C(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)c1Br ZINC000415529713 563783364 /nfs/dbraw/zinc/78/33/64/563783364.db2.gz XKAVLHFZJUSJDE-CQSZACIVSA-N 1 0 394.313 2.687 20 0 GFADRO Cc1cc(Br)cc(Cl)c1NC(=O)C(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000415581182 563785094 /nfs/dbraw/zinc/78/50/94/563785094.db2.gz SGZSEUXLLJTFKF-NXEZZACHSA-N 1 0 388.693 2.545 20 0 GFADRO COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000415588130 563785533 /nfs/dbraw/zinc/78/55/33/563785533.db2.gz XFXITWBAODPSPE-KWBADKCTSA-N 1 0 386.279 2.526 20 0 GFADRO COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000415588135 563785605 /nfs/dbraw/zinc/78/56/05/563785605.db2.gz XFXITWBAODPSPE-OUJBWJOFSA-N 1 0 386.279 2.526 20 0 GFADRO CCCC[C@@H](C[NH3+])NC(=O)Nc1ccc(OC)cc1I ZINC000415595377 563786231 /nfs/dbraw/zinc/78/62/31/563786231.db2.gz KFJVGJIXSDAYKE-JTQLQIEISA-N 1 0 391.253 2.939 20 0 GFADRO COC(=O)c1cc(NC(=O)N[C@@](C)(C[NH3+])C(C)C)cc(Br)c1F ZINC000415594920 563786405 /nfs/dbraw/zinc/78/64/05/563786405.db2.gz ABIMVQYQGNMWHF-HNNXBMFYSA-N 1 0 390.253 2.870 20 0 GFADRO COC(=O)c1c(C)c(NC(=O)N2CC[C@@H]([C@@H](C)[NH3+])C2)ccc1Br ZINC000415606406 563787454 /nfs/dbraw/zinc/78/74/54/563787454.db2.gz YYEVUCVCNGNXFS-GHMZBOCLSA-N 1 0 384.274 2.745 20 0 GFADRO CCOc1c(Cl)cc(NC(=O)C(=O)N2CC[C@]3(CC[NH2+]C3)C2)cc1Cl ZINC000415604355 563787692 /nfs/dbraw/zinc/78/76/92/563787692.db2.gz PATSGTIEGUVSKG-KRWDZBQOSA-N 1 0 386.279 2.543 20 0 GFADRO COC(=O)c1cc(NC(=O)N2C[C@H](C[NH3+])C[C@@H]2C)cc(Br)c1F ZINC000415615188 563788097 /nfs/dbraw/zinc/78/80/97/563788097.db2.gz QKLOXEIUNLTKLI-IUCAKERBSA-N 1 0 388.237 2.576 20 0 GFADRO C[NH2+]C[C@@H]1CCCN1C(=O)Nc1cc(Br)c(F)c(C(=O)OC)c1 ZINC000415608753 563788182 /nfs/dbraw/zinc/78/81/82/563788182.db2.gz MEDMZTWKLGYOLJ-JTQLQIEISA-N 1 0 388.237 2.591 20 0 GFADRO [NH3+][C@H]1CCC[C@H](NC(=O)C(=O)Nc2ccc(-c3ccc(Cl)s3)nc2)C1 ZINC000415642694 563789951 /nfs/dbraw/zinc/78/99/51/563789951.db2.gz IEEZTONFKPPITH-QWRGUYRKSA-N 1 0 378.885 2.788 20 0 GFADRO CCOC(=O)c1cc(Cl)cc(S(=O)(=O)N2CCC[C@@H]([NH+](C)C)CC2)c1 ZINC000292552067 563790145 /nfs/dbraw/zinc/79/01/45/563790145.db2.gz KFZXUQVJXGDNIW-OAHLLOKOSA-N 1 0 388.917 2.622 20 0 GFADRO [NH3+][C@H]1CCC[C@H](NC(=O)C(=O)Nc2cc(Cl)ccc2OC(F)(F)F)C1 ZINC000415640962 563790150 /nfs/dbraw/zinc/79/01/50/563790150.db2.gz FMPBDQHTVRKKQA-UWVGGRQHSA-N 1 0 379.766 2.563 20 0 GFADRO Cc1cc(NC(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)cc(C)c1Cl ZINC000415662072 563790549 /nfs/dbraw/zinc/79/05/49/563790549.db2.gz VWMDNYVTPZSGCJ-ZDUSSCGKSA-N 1 0 378.826 2.914 20 0 GFADRO CC[NH2+][C@H](C)CNC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1Br ZINC000415658019 563790817 /nfs/dbraw/zinc/79/08/17/563790817.db2.gz OZWPFBIRFNAJFE-MRVPVSSYSA-N 1 0 396.207 2.521 20 0 GFADRO [NH3+]CC[C@@H]1CCCN(C(=O)C(=O)Nc2cc(Cl)ccc2Br)C1 ZINC000415684937 563791360 /nfs/dbraw/zinc/79/13/60/563791360.db2.gz YJKMIHJSIQXHCK-JTQLQIEISA-N 1 0 388.693 2.628 20 0 GFADRO [NH3+]CC[C@H]1CCCN(C(=O)C(=O)Nc2cccc(Br)c2Cl)C1 ZINC000415680752 563791392 /nfs/dbraw/zinc/79/13/92/563791392.db2.gz RXNCQLHADSTZDX-SNVBAGLBSA-N 1 0 388.693 2.628 20 0 GFADRO COC(=O)c1cc(NC(=O)N[C@H]2CC[C@H](C[NH3+])C2)c(C)cc1Br ZINC000415702213 563791990 /nfs/dbraw/zinc/79/19/90/563791990.db2.gz DAFSPNSWCGQMEO-QWRGUYRKSA-N 1 0 384.274 2.793 20 0 GFADRO Cc1cc(I)cc(NC(=O)N[C@H]2C[NH2+]CCC2(F)F)c1 ZINC000415711868 563792721 /nfs/dbraw/zinc/79/27/21/563792721.db2.gz QBFOHQRWBGVPSM-NSHDSACASA-N 1 0 395.191 2.718 20 0 GFADRO Cc1cc(I)cc(NC(=O)N2CC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000415707805 563792666 /nfs/dbraw/zinc/79/26/66/563792666.db2.gz KKAMGVAXAYAXQU-OAHLLOKOSA-N 1 0 385.249 2.817 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)C(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000415726905 563793282 /nfs/dbraw/zinc/79/32/82/563793282.db2.gz PNBMCMPNUGRXIJ-JOCQHMNTSA-N 1 0 396.329 2.831 20 0 GFADRO C[C@@H](CCCC[NH3+])NC(=O)C(=O)Nc1ccc(Br)c2cccnc12 ZINC000415748467 563794029 /nfs/dbraw/zinc/79/40/29/563794029.db2.gz YSAQSMGSWZOYPA-NSHDSACASA-N 1 0 393.285 2.570 20 0 GFADRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)C(=O)Nc1ccc(Br)c(Cl)c1Cl ZINC000415732834 563794054 /nfs/dbraw/zinc/79/40/54/563794054.db2.gz WPYGSQIQKCTTTD-XPUUQOCRSA-N 1 0 395.084 2.643 20 0 GFADRO O=C(NC1CC[NH+](CCc2ccncc2)CC1)c1occc1Br ZINC000365878176 563795314 /nfs/dbraw/zinc/79/53/14/563795314.db2.gz BLFHHCMQHHLUSR-UHFFFAOYSA-N 1 0 378.270 2.874 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)C(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000415767906 563795757 /nfs/dbraw/zinc/79/57/57/563795757.db2.gz NIEJUMJZNJFVLX-UHFFFAOYSA-N 1 0 394.313 2.552 20 0 GFADRO Cn1cc(Br)c(C(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)n1 ZINC000292804462 563795891 /nfs/dbraw/zinc/79/58/91/563795891.db2.gz NRFPRZGAFIUPMA-OAHLLOKOSA-N 1 0 377.286 2.750 20 0 GFADRO Cc1cc(Br)cc(Cl)c1NC(=O)C(=O)N[C@@H](C)CCCC[NH3+] ZINC000415777879 563796252 /nfs/dbraw/zinc/79/62/52/563796252.db2.gz IVXNGFRQMWCIKH-JTQLQIEISA-N 1 0 390.709 2.983 20 0 GFADRO C[NH+]1CCC(CC(=O)NCc2nc(-c3cccc(Br)c3)no2)CC1 ZINC000292828049 563796793 /nfs/dbraw/zinc/79/67/93/563796793.db2.gz JHWNMMZIXIBMDW-UHFFFAOYSA-N 1 0 393.285 2.847 20 0 GFADRO [NH3+][C@H]1CCC[C@@H](CNC(=O)C(=O)Nc2cc(Cl)cc(Br)c2)C1 ZINC000415797536 563797023 /nfs/dbraw/zinc/79/70/23/563797023.db2.gz AEGGPYFSLBZMJT-SKDRFNHKSA-N 1 0 388.693 2.675 20 0 GFADRO O=C(NCCC[C@@H]1CCC[NH2+]1)C(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000415809179 563797490 /nfs/dbraw/zinc/79/74/90/563797490.db2.gz URDNGROIWOGDBA-NSHDSACASA-N 1 0 377.794 2.946 20 0 GFADRO Cc1nc2cc(Cl)c(NC(=O)C(=O)NC[C@H]3CCC[C@@H]([NH3+])C3)cc2s1 ZINC000415818807 563798091 /nfs/dbraw/zinc/79/80/91/563798091.db2.gz XBJWPPQSMBBTPX-WDEREUQCSA-N 1 0 380.901 2.830 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)cc1Br ZINC000415815522 563798209 /nfs/dbraw/zinc/79/82/09/563798209.db2.gz SHZHVEZSVNDDCE-OLZOCXBDSA-N 1 0 382.302 2.638 20 0 GFADRO Cc1cc(Br)cc(Cl)c1NC(=O)C(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000415833494 563799013 /nfs/dbraw/zinc/79/90/13/563799013.db2.gz KCRQDXDKUULZJQ-GXSJLCMTSA-N 1 0 388.693 2.593 20 0 GFADRO [NH3+]C[C@H]1CC[C@@H](NC(=O)C(=O)Nc2ccc(Br)c3ccccc23)C1 ZINC000415843056 563799040 /nfs/dbraw/zinc/79/90/40/563799040.db2.gz RZIRFVDQLGTGLL-NWDGAFQWSA-N 1 0 390.281 2.784 20 0 GFADRO CCc1ccc(Cl)c(CC)c1NC(=O)C(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000415844787 563799126 /nfs/dbraw/zinc/79/91/26/563799126.db2.gz UGBVMSFNARJUBU-LBPRGKRZSA-N 1 0 379.810 2.799 20 0 GFADRO Cc1ccc(Br)c(NC(=O)C(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000415854084 563799474 /nfs/dbraw/zinc/79/94/74/563799474.db2.gz MJXMLWOSXQNSFF-KGLIPLIRSA-N 1 0 394.313 2.544 20 0 GFADRO Cc1nc2cc(Cl)c(NC(=O)C(=O)N3CC[C@@H](C)[C@H](C[NH3+])C3)cc2s1 ZINC000415852899 563799476 /nfs/dbraw/zinc/79/94/76/563799476.db2.gz SEUKQZOZEQVIHZ-MWLCHTKSSA-N 1 0 380.901 2.640 20 0 GFADRO C[NH+]1CCC(CC(=O)N[C@H]2CCN(c3cccc(Br)c3)C2)CC1 ZINC000293081832 563800401 /nfs/dbraw/zinc/80/04/01/563800401.db2.gz YGIGONZNYVGRFH-INIZCTEOSA-N 1 0 380.330 2.876 20 0 GFADRO COc1cc(Br)ccc1CNC(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000416029595 563803181 /nfs/dbraw/zinc/80/31/81/563803181.db2.gz LOPBMJYUXWRJJO-NSHDSACASA-N 1 0 384.196 2.537 20 0 GFADRO [NH3+]CC[C@@H](NC(=O)N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1)C(F)(F)F ZINC000416036362 563803293 /nfs/dbraw/zinc/80/32/93/563803293.db2.gz YEYCIRFRPQMHCY-NOZJJQNGSA-N 1 0 382.789 2.637 20 0 GFADRO C[C@@H](CC(=O)NCC[N@@H+]1CCCOCC1)c1ccc(F)c(Br)c1 ZINC000293192329 563803421 /nfs/dbraw/zinc/80/34/21/563803421.db2.gz HZTMRAVRPKWZSP-ZDUSSCGKSA-N 1 0 387.293 2.920 20 0 GFADRO COc1cc(C=CC(=O)N[C@@H]2CCc3[nH]cnc3C2)cc(Br)c1O ZINC000366289164 563803866 /nfs/dbraw/zinc/80/38/66/563803866.db2.gz QZEMROGQHURGCR-XGQHYKRYSA-N 1 0 392.253 2.573 20 0 GFADRO COCC[NH2+]CC(=O)N1CCCC[C@@H]1C(=O)Nc1cc(Cl)ccc1Cl ZINC000366340153 563805340 /nfs/dbraw/zinc/80/53/40/563805340.db2.gz UUCZPCDIWMKSLA-OAHLLOKOSA-N 1 0 388.295 2.549 20 0 GFADRO O=C(NCC[C@H]1CCC[NH2+]C1)[C@@H]1CCCN(c2ccc(Br)cn2)C1 ZINC000366350094 563806370 /nfs/dbraw/zinc/80/63/70/563806370.db2.gz ZHLYUXQJHSFOEV-HUUCEWRRSA-N 1 0 395.345 2.566 20 0 GFADRO Cc1nc(SC(F)F)sc1CC(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000366375874 563806963 /nfs/dbraw/zinc/80/69/63/563806963.db2.gz PGXILSLTINKODD-GFCCVEGCSA-N 1 0 391.509 2.678 20 0 GFADRO CCn1cc(Br)cc1C(=O)N1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000366440230 563808144 /nfs/dbraw/zinc/80/81/44/563808144.db2.gz PNFGGMUVFFAHFM-IJEWVQPXSA-N 1 0 384.318 2.594 20 0 GFADRO COc1cc(Br)ccc1C(=O)N1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000366437685 563808267 /nfs/dbraw/zinc/80/82/67/563808267.db2.gz LVPYVBOQBOGEBF-JLJPHGGASA-N 1 0 397.313 2.781 20 0 GFADRO CCn1cc(Br)cc1C(=O)N1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000366440228 563808446 /nfs/dbraw/zinc/80/84/46/563808446.db2.gz PNFGGMUVFFAHFM-IIAWOOMASA-N 1 0 384.318 2.594 20 0 GFADRO C[C@@H]([NH2+][C@H]1CCc2nccn2C1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000366462414 563809149 /nfs/dbraw/zinc/80/91/49/563809149.db2.gz DRHVWAIPTFEDNI-ZJUUUORDSA-N 1 0 389.308 2.503 20 0 GFADRO C[NH+](C)C[C@@H]1CCCN1C(=O)c1ccn(-c2ccc(Br)cc2)n1 ZINC000293352264 563809462 /nfs/dbraw/zinc/80/94/62/563809462.db2.gz ZJNHVBUSDNRBNT-HNNXBMFYSA-N 1 0 377.286 2.801 20 0 GFADRO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)CCCOc1cccc(Br)c1 ZINC000416290382 563814190 /nfs/dbraw/zinc/81/41/90/563814190.db2.gz GQINHJQMGQKRQQ-GJZGRUSLSA-N 1 0 399.329 2.522 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)c2nn(C)cc2Br)C[N@@H+]1Cc1ccccc1 ZINC000293519140 563816711 /nfs/dbraw/zinc/81/67/11/563816711.db2.gz XWGRSFIWLPAMOU-OCCSQVGLSA-N 1 0 377.286 2.575 20 0 GFADRO COc1cc(OC)c(S(=O)(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)cc1Cl ZINC000416382879 563820516 /nfs/dbraw/zinc/82/05/16/563820516.db2.gz FMNPTTGWUJJMBV-GFCCVEGCSA-N 1 0 388.917 2.652 20 0 GFADRO COc1cc[nH+]c(N2CCN(S(=O)(=O)c3c(C)cccc3Cl)CC2)c1 ZINC000416388028 563822011 /nfs/dbraw/zinc/82/20/11/563822011.db2.gz MLKFDLFTMSLLAB-UHFFFAOYSA-N 1 0 381.885 2.563 20 0 GFADRO COCCC[N@H+](C)CCNC(=O)c1ccc(Br)c(Cl)c1F ZINC000444255714 563825438 /nfs/dbraw/zinc/82/54/38/563825438.db2.gz DDMUOBXZFXXHRZ-UHFFFAOYSA-N 1 0 381.673 2.940 20 0 GFADRO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@H]1CCC(=O)N[C@@H]1C1CC1 ZINC000367065055 563829582 /nfs/dbraw/zinc/82/95/82/563829582.db2.gz DNECNJSLBABKTL-DJCROIMJSA-N 1 0 394.313 2.813 20 0 GFADRO C[C@@H](Oc1ccc(Br)cc1)C(=O)N1CCC([N@@H+](C)C[C@H](C)O)CC1 ZINC000444354289 563829659 /nfs/dbraw/zinc/82/96/59/563829659.db2.gz UIUPDNXWOBNBGW-UONOGXRCSA-N 1 0 399.329 2.520 20 0 GFADRO COc1cc(S(=O)(=O)N2C[C@@H](SC)[C@@H]([NH+]3CCCC3)C2)ccc1Cl ZINC000416465865 563832956 /nfs/dbraw/zinc/83/29/56/563832956.db2.gz NICHEMAXCLYRQO-GOEBONIOSA-N 1 0 390.958 2.549 20 0 GFADRO C[C@@H](Cc1ccc(Br)cc1)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000367233702 563837151 /nfs/dbraw/zinc/83/71/51/563837151.db2.gz DNIBKBGXUBLUFX-KSSFIOAISA-N 1 0 395.341 2.997 20 0 GFADRO CCCN(CCN1CC[NH+](CC)CC1)S(=O)(=O)c1c(C)cccc1Cl ZINC000416485366 563837411 /nfs/dbraw/zinc/83/74/11/563837411.db2.gz FHRDWCWDIOVDKT-UHFFFAOYSA-N 1 0 387.977 2.687 20 0 GFADRO O=C(NCCNc1ncc(Cl)cc1Cl)NCC1CC[NH+](C2CC2)CC1 ZINC000444846109 563838346 /nfs/dbraw/zinc/83/83/46/563838346.db2.gz GVJPHXQGFDFPGM-UHFFFAOYSA-N 1 0 386.327 2.974 20 0 GFADRO C[C@H](NC(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O)c1ccc(Cl)cc1Cl ZINC000445002906 563840896 /nfs/dbraw/zinc/84/08/96/563840896.db2.gz ARJSUAROEZTIMC-XHDPSFHLSA-N 1 0 387.311 2.693 20 0 GFADRO NC(=O)c1cnn2c1C[C@H](C[NH2+][C@H]1CCc3sc(Br)cc31)CC2 ZINC000294381119 563841187 /nfs/dbraw/zinc/84/11/87/563841187.db2.gz RJRKALHDUUPWQG-SKDRFNHKSA-N 1 0 395.326 2.646 20 0 GFADRO Cc1cc(S(=O)(=O)NCC2CC[NH+](C3CC3)CC2)sc1Br ZINC000445096138 563843258 /nfs/dbraw/zinc/84/32/58/563843258.db2.gz VGDZIDPTPUGGKE-UHFFFAOYSA-N 1 0 393.372 2.972 20 0 GFADRO CSc1nc2ncnc(N(C)C3CC[NH+](C4CCOCC4)CC3)c2s1 ZINC000367495888 563846141 /nfs/dbraw/zinc/84/61/41/563846141.db2.gz QOPZKXBGKSDXIO-UHFFFAOYSA-N 1 0 379.555 2.888 20 0 GFADRO C[C@@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+]CCCn1cc(Br)cn1 ZINC000367481680 563846267 /nfs/dbraw/zinc/84/62/67/563846267.db2.gz WIGRZLIZFMFEOO-CRAIPNDOSA-N 1 0 392.345 2.931 20 0 GFADRO C[NH+](C)CC(C)(C)CNC(=O)[C@@H]1CC(=O)Nc2ccc(Br)cc21 ZINC000445249062 563846363 /nfs/dbraw/zinc/84/63/63/563846363.db2.gz MKCPMIIAMZNIRO-CYBMUJFWSA-N 1 0 382.302 2.579 20 0 GFADRO CCC[NH+]1CCC(NC(=O)[C@H]2CC(=O)Nc3ccc(Br)cc32)CC1 ZINC000445248365 563846545 /nfs/dbraw/zinc/84/65/45/563846545.db2.gz KCWGUWKYQCUCEY-HNNXBMFYSA-N 1 0 394.313 2.866 20 0 GFADRO CN(C)CC[NH+]1CCC(CNC(=O)c2cccc(F)c2Br)CC1 ZINC000294587785 563847871 /nfs/dbraw/zinc/84/78/71/563847871.db2.gz CQNQZRSKSUMEKL-UHFFFAOYSA-N 1 0 386.309 2.592 20 0 GFADRO COCCC[NH+]1CCC(NC(=O)Cc2sccc2Br)CC1 ZINC000294612095 563848437 /nfs/dbraw/zinc/84/84/37/563848437.db2.gz QUQBSNCOILOTGQ-UHFFFAOYSA-N 1 0 375.332 2.670 20 0 GFADRO C[N@@H+]1CCC[C@H](CCNS(=O)(=O)CCc2ccccc2Br)C1 ZINC000416562340 563849014 /nfs/dbraw/zinc/84/90/14/563849014.db2.gz WENXLPGGBYNNLJ-CQSZACIVSA-N 1 0 389.359 2.643 20 0 GFADRO C[C@@H](C[NH2+][C@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1)CS(C)(=O)=O ZINC000367613700 563850163 /nfs/dbraw/zinc/85/01/63/563850163.db2.gz DFAYFEVLYRSKCP-BBRMVZONSA-N 1 0 379.444 2.677 20 0 GFADRO O=C(NC[C@@H]1CCC[N@H+](Cc2cccnc2)C1)c1cccc(Br)n1 ZINC000367642626 563851188 /nfs/dbraw/zinc/85/11/88/563851188.db2.gz GSRSRNFCZNSGGR-HNNXBMFYSA-N 1 0 389.297 2.881 20 0 GFADRO Cc1cc(NC(=O)CC[N@@H+](C)[C@H]2CCOc3ccc(Br)cc32)no1 ZINC000445876840 563855177 /nfs/dbraw/zinc/85/51/77/563855177.db2.gz KRWBKWGVJKBAEX-AWEZNQCLSA-N 1 0 394.269 3.530 20 0 GFADRO CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC(Cn2cc(Br)cn2)CC1 ZINC000367810189 563855986 /nfs/dbraw/zinc/85/59/86/563855986.db2.gz NPWNXKSCKVGFHG-MRXNPFEDSA-N 1 0 383.334 2.759 20 0 GFADRO C[NH+](C)CCN(Cc1ccccc1)C(=O)c1cc[nH]c(=O)c1Br ZINC000446029933 563856745 /nfs/dbraw/zinc/85/67/45/563856745.db2.gz CPVWUVPVZRGAPP-UHFFFAOYSA-N 1 0 378.270 2.754 20 0 GFADRO O=C(c1[nH]nc(-c2ccccc2)c1Br)N1CCNC[C@@H]1C(F)F ZINC000368000361 563861543 /nfs/dbraw/zinc/86/15/43/563861543.db2.gz YFBMSOMAMQVNJY-SNVBAGLBSA-N 1 0 385.212 2.518 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)NCCc2ccc(Cl)cc2Cl)CC12CCOCC2 ZINC000416807237 563861650 /nfs/dbraw/zinc/86/16/50/563861650.db2.gz FIOSPKDVHWCXRX-CQSZACIVSA-N 1 0 386.323 2.933 20 0 GFADRO CC(C)(C)c1csc([C@@H]2CN(C[C@H](O)COCC(F)(F)F)CCO2)n1 ZINC000368031355 563862094 /nfs/dbraw/zinc/86/20/94/563862094.db2.gz UTXGEKOZWIYTPF-RYUDHWBXSA-N 1 0 382.448 2.754 20 0 GFADRO Cc1c(C(=O)N[C@H]2CC23CC[NH2+]CC3)cnn1-c1cccc(Br)c1 ZINC000368138982 563865024 /nfs/dbraw/zinc/86/50/24/563865024.db2.gz AIUUFPKLKUJUJV-INIZCTEOSA-N 1 0 389.297 2.815 20 0 GFADRO C[NH+](C)C1(CNC(=O)N[C@H](CCO)c2ccccc2Br)CCC1 ZINC000446617328 563866676 /nfs/dbraw/zinc/86/66/76/563866676.db2.gz LAXDGLYXDQLXEP-OAHLLOKOSA-N 1 0 384.318 2.656 20 0 GFADRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)Nc1cc2c(cc1Br)CCC2 ZINC000446680893 563867611 /nfs/dbraw/zinc/86/76/11/563867611.db2.gz DPKIZLYSHCGKBU-GFCCVEGCSA-N 1 0 396.329 2.723 20 0 GFADRO CS(=O)(=O)c1cccc(Cl)c1CN[C@@H]1CCN(c2ncccc2F)C1 ZINC000368285377 563867907 /nfs/dbraw/zinc/86/79/07/563867907.db2.gz OTDYVVAKAQSYRP-GFCCVEGCSA-N 1 0 383.876 2.646 20 0 GFADRO O=C(CN1CC[C@]2(CNC(=O)C2)C1)Nc1c(Cl)cccc1C(F)(F)F ZINC000368456836 563870991 /nfs/dbraw/zinc/87/09/91/563870991.db2.gz DMMNZRCLOPBCLR-HNNXBMFYSA-N 1 0 375.778 2.509 20 0 GFADRO C[C@@H]1CN(C(=O)NCC2(c3cccc(Br)c3)CCOCC2)CC[NH2+]1 ZINC000417186250 563871508 /nfs/dbraw/zinc/87/15/08/563871508.db2.gz VAIIIRDHLUCKEX-CQSZACIVSA-N 1 0 396.329 2.501 20 0 GFADRO COc1cc(Br)c(C[NH2+][C@@H]2CCCN(c3ccncn3)C2)cc1O ZINC000368463377 563871889 /nfs/dbraw/zinc/87/18/89/563871889.db2.gz ZJFFOKUJZQVMOU-CYBMUJFWSA-N 1 0 393.285 2.712 20 0 GFADRO C[C@H](NC(=O)N1CC[C@H]([NH3+])[C@H](C)C1)c1cc2c(cc1Br)OCCO2 ZINC000417187310 563871866 /nfs/dbraw/zinc/87/18/66/563871866.db2.gz WMNABYUGPLPEQM-SUNKGSAMSA-N 1 0 398.301 2.660 20 0 GFADRO C[NH2+]CCC1CCN(C(=O)NCc2cn3cc(Br)ccc3n2)CC1 ZINC000417209464 563873275 /nfs/dbraw/zinc/87/32/75/563873275.db2.gz CLILQESFQLENCD-UHFFFAOYSA-N 1 0 394.317 2.628 20 0 GFADRO CC1(C)CCC[NH2+][C@@H]1CNC(=O)NCc1cn2cc(Br)ccc2n1 ZINC000417209372 563873295 /nfs/dbraw/zinc/87/32/95/563873295.db2.gz CCUAKNFHBVAGCP-CQSZACIVSA-N 1 0 394.317 2.674 20 0 GFADRO CC[C@H]1Cc2c(Br)cccc2CN1C(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000447065236 563873585 /nfs/dbraw/zinc/87/35/85/563873585.db2.gz AJFJBTZSOFLCHH-MAUKXSAKSA-N 1 0 392.341 2.502 20 0 GFADRO CC[C@@H]1Cc2c(Br)cccc2CN1C(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000447065237 563873724 /nfs/dbraw/zinc/87/37/24/563873724.db2.gz AJFJBTZSOFLCHH-QAPCUYQASA-N 1 0 392.341 2.502 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)NCc1cn2cc(Br)ccc2n1 ZINC000417218142 563873820 /nfs/dbraw/zinc/87/38/20/563873820.db2.gz KWBNJLFHPZWLLN-RISCZKNCSA-N 1 0 380.290 2.508 20 0 GFADRO O=C(NCCC[NH2+]Cc1cccnc1)NCc1ccc(F)cc1Br ZINC000417231335 563874897 /nfs/dbraw/zinc/87/48/97/563874897.db2.gz NEYWPQPMLDQWRE-UHFFFAOYSA-N 1 0 395.276 2.962 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)NC[C@H]2CCN(c3cccc(Br)c3)C2)CC[NH2+]1 ZINC000417263167 563875848 /nfs/dbraw/zinc/87/58/48/563875848.db2.gz PHEXEIACANVKJH-FMKPAKJESA-N 1 0 395.345 2.715 20 0 GFADRO O=S(=O)(N[C@@H]1CC12CC[NH2+]CC2)c1ccc(Br)cc1Cl ZINC000368637110 563876537 /nfs/dbraw/zinc/87/65/37/563876537.db2.gz XCLIDMSYGZUECR-GFCCVEGCSA-N 1 0 379.707 2.523 20 0 GFADRO O=C(CCC[S@@](=O)c1ccc(Br)cc1)N[C@@H]1CCC[NH2+]CC1 ZINC000368721739 563877861 /nfs/dbraw/zinc/87/78/61/563877861.db2.gz KEQIRMWIEXEBOD-JLCFBVMHSA-N 1 0 387.343 2.595 20 0 GFADRO C[C@H]([NH2+][C@H](c1ccn(C)n1)c1ccc(Cl)cc1)C1CCS(=O)(=O)CC1 ZINC000368741670 563878159 /nfs/dbraw/zinc/87/81/59/563878159.db2.gz UXKVHHBSLCRBTR-UGSOOPFHSA-N 1 0 381.929 2.966 20 0 GFADRO Cc1sc(CNC(=O)N2CCO[C@@H](C[NH3+])C2)nc1-c1ccc(Cl)cc1 ZINC000417321141 563878303 /nfs/dbraw/zinc/87/83/03/563878303.db2.gz BJWHJUWLJUQGSA-AWEZNQCLSA-N 1 0 380.901 2.641 20 0 GFADRO O=C(NCCNc1ccccn1)C(=O)Nc1ccc(Cl)c(Br)c1 ZINC000447261982 563878431 /nfs/dbraw/zinc/87/84/31/563878431.db2.gz BNJCUVAAWGFROG-UHFFFAOYSA-N 1 0 397.660 2.664 20 0 GFADRO Cc1cc(Br)cc(C)c1CNC(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000417370442 563878650 /nfs/dbraw/zinc/87/86/50/563878650.db2.gz UHCNGRPVOQTVDZ-CYBMUJFWSA-N 1 0 376.245 2.862 20 0 GFADRO COC[C@H](C)OC[C@@H](O)C[N@H+](C)CC1(c2ccc(Br)cc2)CC1 ZINC000447308933 563879441 /nfs/dbraw/zinc/87/94/41/563879441.db2.gz JARBCLPTMPUDDA-YOEHRIQHSA-N 1 0 386.330 2.825 20 0 GFADRO COc1ccc(CNC(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1Br ZINC000417425939 563880124 /nfs/dbraw/zinc/88/01/24/563880124.db2.gz FMCATMMVLJDPIS-GZBFAFLISA-N 1 0 382.302 2.727 20 0 GFADRO COC[C@]1(CNC(=O)NCC(C)(C)c2cccc(Br)c2)CCC[NH2+]1 ZINC000417430305 563880208 /nfs/dbraw/zinc/88/02/08/563880208.db2.gz PDXNNLGALPZRML-GOSISDBHSA-N 1 0 398.345 2.795 20 0 GFADRO CC(C)(CNC(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1)c1cccc(Br)c1 ZINC000417434923 563880292 /nfs/dbraw/zinc/88/02/92/563880292.db2.gz XZXTXDWUESDKSY-KGLIPLIRSA-N 1 0 380.330 2.978 20 0 GFADRO COc1ccc(CNC(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1Br ZINC000368869797 563880656 /nfs/dbraw/zinc/88/06/56/563880656.db2.gz TWBNUBPDHLMMCJ-ZIAGYGMSSA-N 1 0 382.302 2.884 20 0 GFADRO [NH3+][C@@H]1CCC[C@H](CNC(=O)N[C@@H]2CCN(c3ccc(Br)cc3)C2)C1 ZINC000417484421 563881173 /nfs/dbraw/zinc/88/11/73/563881173.db2.gz UREMMXAZYUDGPD-NUEKZKHPSA-N 1 0 395.345 2.845 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)C(=O)NCC[N@@H+]1CCCC(C)(C)C1 ZINC000447417912 563881797 /nfs/dbraw/zinc/88/17/97/563881797.db2.gz KYKPQUGPDOYUHC-UHFFFAOYSA-N 1 0 396.329 2.934 20 0 GFADRO CN1CC[NH+](C[C@H]2CCCN(C(=O)c3ccc(Br)s3)C2)CC1 ZINC000368980271 563883598 /nfs/dbraw/zinc/88/35/98/563883598.db2.gz ZYSLGOXCSSINJC-CYBMUJFWSA-N 1 0 386.359 2.610 20 0 GFADRO CN(Cc1ccc(Br)s1)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000369029871 563884610 /nfs/dbraw/zinc/88/46/10/563884610.db2.gz ZIXXPYNIMCKROG-VXGBXAGGSA-N 1 0 388.331 2.515 20 0 GFADRO O=C(NCCC[C@@H]1CCC[NH2+]1)N[C@H]1CCN(c2ccccc2Br)C1 ZINC000417599071 563885542 /nfs/dbraw/zinc/88/55/42/563885542.db2.gz HEGVZHSDGUKBEK-GJZGRUSLSA-N 1 0 395.345 2.859 20 0 GFADRO CC[C@@H]([NH3+])CNC(=O)NCCSCCOc1cccc(Br)c1 ZINC000417594803 563885559 /nfs/dbraw/zinc/88/55/59/563885559.db2.gz MYZBPKQLRRCAJX-CYBMUJFWSA-N 1 0 390.347 2.598 20 0 GFADRO CC(C)c1n[nH]c(C(=O)NC[C@@H]2CCC[C@@H]2[NH+]2CCOCC2)c1Br ZINC000369056766 563885638 /nfs/dbraw/zinc/88/56/38/563885638.db2.gz HVLPWKNCJQKJRO-STQMWFEESA-N 1 0 399.333 2.526 20 0 GFADRO O=S(=O)(NCc1ccc2c(c1)C[NH2+]C2)c1cccc(Br)c1F ZINC000369067743 563886107 /nfs/dbraw/zinc/88/61/07/563886107.db2.gz VZVASSGBXQWHAQ-UHFFFAOYSA-N 1 0 385.258 2.670 20 0 GFADRO CC(C)[C@@H](CNC(=O)N(CC[NH3+])CCO)Cc1ccc(Cl)cc1Cl ZINC000417604395 563886303 /nfs/dbraw/zinc/88/63/03/563886303.db2.gz BSCIJYFWJPORSP-CQSZACIVSA-N 1 0 376.328 2.771 20 0 GFADRO O=C(NCCCc1ccc(Br)cc1F)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000417685958 563887441 /nfs/dbraw/zinc/88/74/41/563887441.db2.gz ZAQAPNSDSLDYQM-CJNGLKHVSA-N 1 0 384.293 2.914 20 0 GFADRO C[C@@H](NC(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1)c1cccc(Cl)c1Cl ZINC000417736376 563887931 /nfs/dbraw/zinc/88/79/31/563887931.db2.gz BCHMNDXOMWRMQL-VXGBXAGGSA-N 1 0 387.311 2.551 20 0 GFADRO CS[C@@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)c(F)c2)C[C@@H]1[NH+](C)C ZINC000447867285 563888152 /nfs/dbraw/zinc/88/81/52/563888152.db2.gz CNTVUAKYRWRPSZ-QWHCGFSZSA-N 1 0 386.436 2.511 20 0 GFADRO C[C@H]1[NH2+]CCN(C(=O)NCCOc2ncc(C(F)(F)F)cc2Cl)[C@H]1C ZINC000417739669 563888173 /nfs/dbraw/zinc/88/81/73/563888173.db2.gz QQOGTBUSHXGIPD-ZJUUUORDSA-N 1 0 380.798 2.524 20 0 GFADRO C[C@H](CNC(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1)Oc1ccccc1Br ZINC000417813872 563889747 /nfs/dbraw/zinc/88/97/47/563889747.db2.gz ALCFBXDWPWKARR-HLPPOEQASA-N 1 0 396.329 2.985 20 0 GFADRO C[NH2+]C[C@H]1CCCN(C(=O)NC[C@H](C)Oc2cccc(Br)c2)C1 ZINC000417794385 563889878 /nfs/dbraw/zinc/88/98/78/563889878.db2.gz MTZZBYBWSATCHK-UONOGXRCSA-N 1 0 384.318 2.857 20 0 GFADRO C[NH+](C)CC1(CNS(=O)(=O)c2ccc(OC(F)F)c(F)c2)CCCC1 ZINC000447879788 563890004 /nfs/dbraw/zinc/89/00/04/563890004.db2.gz RXYBXLLEFMNYMI-UHFFFAOYSA-N 1 0 380.432 2.827 20 0 GFADRO COCC1(CNC(=O)N[C@H](C)Cc2ccccc2Br)CC[NH2+]CC1 ZINC000417878892 563890285 /nfs/dbraw/zinc/89/02/85/563890285.db2.gz FACAWCTUWZGYBD-CQSZACIVSA-N 1 0 398.345 2.696 20 0 GFADRO O=C(C[NH2+][C@H](CO)[C@@H]1CCCO1)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000447901548 563890627 /nfs/dbraw/zinc/89/06/27/563890627.db2.gz CGXQPAKNJAPQAN-ZACQAIPSSA-N 1 0 387.307 2.786 20 0 GFADRO CC(C)[C@H]([NH3+])CNC(=O)N[C@@H](C)c1nc(-c2ccc(Br)cc2)no1 ZINC000417889350 563890911 /nfs/dbraw/zinc/89/09/11/563890911.db2.gz JIYBJVWRADZAJT-GXFFZTMASA-N 1 0 396.289 2.843 20 0 GFADRO C[C@H](Cc1ccc(F)c(Br)c1)NC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000417891302 563890914 /nfs/dbraw/zinc/89/09/14/563890914.db2.gz BSZQIVHHXFUZMW-MRVWCRGKSA-N 1 0 384.293 2.770 20 0 GFADRO CCC[NH2+]CCNC(=O)NC1CCN(Cc2ccc(Br)cc2)CC1 ZINC000417888300 563890962 /nfs/dbraw/zinc/89/09/62/563890962.db2.gz LXNWZLOAJKXFBW-UHFFFAOYSA-N 1 0 397.361 2.712 20 0 GFADRO C[NH+]1CCC(N2CC[C@@H](NC(=O)c3csc(-c4ccsc4)n3)C2)CC1 ZINC000369279949 563891148 /nfs/dbraw/zinc/89/11/48/563891148.db2.gz ZXEHZOZMSOMDBE-CQSZACIVSA-N 1 0 376.551 2.770 20 0 GFADRO CO[C@@H]1CCN(C(=O)N[C@H](C)Cc2ccccc2Br)[C@H](C[NH3+])C1 ZINC000417902322 563891485 /nfs/dbraw/zinc/89/14/85/563891485.db2.gz WYHFIUYLKSKECY-VHDGCEQUSA-N 1 0 384.318 2.528 20 0 GFADRO C[C@@H](Cc1ccccc1Br)NC(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000417902984 563891505 /nfs/dbraw/zinc/89/15/05/563891505.db2.gz YDXQPGJECFFHNT-GXFFZTMASA-N 1 0 376.245 2.677 20 0 GFADRO C[C@H](C(=O)Nc1cccc(Cl)c1Cl)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000369270523 563891476 /nfs/dbraw/zinc/89/14/76/563891476.db2.gz MBIVVWZXHHDFSX-WQVCFCJDSA-N 1 0 386.323 2.851 20 0 GFADRO C[C@H](Cc1cc(Br)ccc1F)NC(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000417940651 563892412 /nfs/dbraw/zinc/89/24/12/563892412.db2.gz LPMFIUWOVAYHKS-BFQNTYOBSA-N 1 0 384.293 2.913 20 0 GFADRO CO[C@@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)N1CCC(C[NH3+])CC1 ZINC000417981535 563893382 /nfs/dbraw/zinc/89/33/82/563893382.db2.gz JZOYRLPOZBZRPT-MLGOLLRUSA-N 1 0 384.318 2.905 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)NCCSCc2ccc(Cl)cc2Cl)CCCO1 ZINC000417987107 563893574 /nfs/dbraw/zinc/89/35/74/563893574.db2.gz QZASAJHCGDSUNV-CQSZACIVSA-N 1 0 392.352 2.986 20 0 GFADRO CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)N1C[C@H](C[NH3+])C[C@@H]1C ZINC000417990366 563893656 /nfs/dbraw/zinc/89/36/56/563893656.db2.gz REONFUCQBCEZKC-QCQGSNGOSA-N 1 0 384.318 2.904 20 0 GFADRO COc1cc(Br)ccc1CCCNC(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000417993527 563894328 /nfs/dbraw/zinc/89/43/28/563894328.db2.gz AODGYRLJPNDNDH-GJZGRUSLSA-N 1 0 396.329 2.641 20 0 GFADRO CO[C@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)NC[C@H]1CCC[NH2+]C1 ZINC000417998189 563894354 /nfs/dbraw/zinc/89/43/54/563894354.db2.gz USLYQGFOWNIEID-WWGRRREGSA-N 1 0 384.318 2.824 20 0 GFADRO CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000418000608 563894615 /nfs/dbraw/zinc/89/46/15/563894615.db2.gz WUFAOFKYKWLERE-RKLWJJNISA-N 1 0 384.318 2.822 20 0 GFADRO C[NH2+][C@@H]1CCCN(C(=O)N[C@H](C)[C@@H](OC)c2ccc(Br)cc2)C1 ZINC000418000092 563894791 /nfs/dbraw/zinc/89/47/91/563894791.db2.gz WIQAPUGXFQOFJG-DAXOMENPSA-N 1 0 384.318 2.919 20 0 GFADRO COc1cc(Br)ccc1CCCNC(=O)N1CC[NH2+]C(C)(C)C1 ZINC000418010009 563895121 /nfs/dbraw/zinc/89/51/21/563895121.db2.gz VELNFUBVQKGGQN-UHFFFAOYSA-N 1 0 384.318 2.784 20 0 GFADRO Cc1cc(Br)cn2cc(CNC(=O)NCCC[C@@H]3CCC[NH2+]3)nc12 ZINC000418017643 563895477 /nfs/dbraw/zinc/89/54/77/563895477.db2.gz HQDCSFIVLYYRLJ-AWEZNQCLSA-N 1 0 394.317 2.737 20 0 GFADRO CCCOC[C@@H](Cc1cccc(Br)c1)NC(=O)N1CC[C@H]([NH2+]C)C1 ZINC000418026428 563895964 /nfs/dbraw/zinc/89/59/64/563895964.db2.gz HEXMOVGQPUMFFI-DLBZAZTESA-N 1 0 398.345 2.790 20 0 GFADRO CCn1c(CNC(=O)N[C@H]2CC[C@H](C[NH3+])C2)nc2cc(Br)ccc21 ZINC000418064634 563897287 /nfs/dbraw/zinc/89/72/87/563897287.db2.gz KBOBQHUCRDXHCV-AAEUAGOBSA-N 1 0 394.317 2.745 20 0 GFADRO [NH3+]C1(CNC(=O)N[C@H]2CCCN(c3ccc(Cl)cc3Cl)C2=O)CCC1 ZINC000418079593 563897702 /nfs/dbraw/zinc/89/77/02/563897702.db2.gz LEMYYGMVZILJAE-ZDUSSCGKSA-N 1 0 385.295 2.669 20 0 GFADRO [NH3+]C[C@@H](NC(=O)N[C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O)C1CC1 ZINC000418079525 563897711 /nfs/dbraw/zinc/89/77/11/563897711.db2.gz KXLJDDQHKQUFFA-ZIAGYGMSSA-N 1 0 385.295 2.525 20 0 GFADRO O=C(N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000418081081 563897758 /nfs/dbraw/zinc/89/77/58/563897758.db2.gz NISOPOWPMBZSEK-RDTXWAMCSA-N 1 0 383.323 2.967 20 0 GFADRO COc1cc(Br)ccc1[C@@H](C)NC(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000418074660 563897858 /nfs/dbraw/zinc/89/78/58/563897858.db2.gz YASKYBLTLVMUPO-NOZJJQNGSA-N 1 0 392.244 2.815 20 0 GFADRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)NCc2cnn(-c3ccc(Br)cc3)c2)C1 ZINC000418087188 563898261 /nfs/dbraw/zinc/89/82/61/563898261.db2.gz GDTHASNAUDBEKK-IUODEOHRSA-N 1 0 392.301 2.561 20 0 GFADRO CC1(NC(=O)NCc2cnn(-c3ccc(Br)cc3)c2)CC[NH2+]CC1 ZINC000418092409 563898500 /nfs/dbraw/zinc/89/85/00/563898500.db2.gz RFNKSHZHYAWBHN-UHFFFAOYSA-N 1 0 392.301 2.576 20 0 GFADRO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1Cc1ccc(OC(F)F)c(Br)c1 ZINC000418111233 563898964 /nfs/dbraw/zinc/89/89/64/563898964.db2.gz KIEXACKKHVQIBD-VXGBXAGGSA-N 1 0 393.272 2.937 20 0 GFADRO C[C@H](CCc1ccc(I)cc1)NC(=O)N(C)[C@H](C)C[NH3+] ZINC000418117318 563899389 /nfs/dbraw/zinc/89/93/89/563899389.db2.gz SJJOHEYWUAMGOL-VXGBXAGGSA-N 1 0 389.281 2.601 20 0 GFADRO CCOC(=O)COc1c(Br)cc(C)cc1C[NH2+]CC1(N(C)C)CC1 ZINC000418115576 563899392 /nfs/dbraw/zinc/89/93/92/563899392.db2.gz PJPCOBFRQDFNQG-UHFFFAOYSA-N 1 0 399.329 2.883 20 0 GFADRO C[C@@H](CC[NH3+])NC(=O)N[C@@H](C)CCc1ccc(I)cc1 ZINC000418115585 563899496 /nfs/dbraw/zinc/89/94/96/563899496.db2.gz PKBLECXMDZQNRT-RYUDHWBXSA-N 1 0 389.281 2.649 20 0 GFADRO O=C(N[C@H]1CCOc2c(Br)cccc21)N[C@H]1C[NH2+]CCC1(F)F ZINC000418167009 563900294 /nfs/dbraw/zinc/90/02/94/563900294.db2.gz VDICEICWGBTYDU-RYUDHWBXSA-N 1 0 390.228 2.569 20 0 GFADRO C[C@@]1(CNC(=O)NCc2cc(F)c(F)cc2Br)CCC[NH2+]C1 ZINC000418187395 563900811 /nfs/dbraw/zinc/90/08/11/563900811.db2.gz VKOGVPCKQLJCJW-OAHLLOKOSA-N 1 0 376.245 2.916 20 0 GFADRO CN(CC[NH+]1CCCC1)C(=O)c1ccc(I)cc1F ZINC000448903167 563903141 /nfs/dbraw/zinc/90/31/41/563903141.db2.gz FYIVDOQNYUABAW-UHFFFAOYSA-N 1 0 376.213 2.598 20 0 GFADRO C[C@@H]1CC[N@H+](C)CCN1C(=O)c1ccc(I)cc1F ZINC000448981838 563904451 /nfs/dbraw/zinc/90/44/51/563904451.db2.gz VMHDDKRRTNRCRV-SNVBAGLBSA-N 1 0 376.213 2.597 20 0 GFADRO CS(=O)(=O)c1cccc(C[NH2+]CCc2cc(Cl)c3c(c2)OCCO3)c1 ZINC000449068875 563906373 /nfs/dbraw/zinc/90/63/73/563906373.db2.gz VAUJTXQCFXHKOS-UHFFFAOYSA-N 1 0 381.881 2.847 20 0 GFADRO CCn1nnc(C)c1C[NH2+]C[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000449097029 563906914 /nfs/dbraw/zinc/90/69/14/563906914.db2.gz KKGKARWRMQEKSW-CQSZACIVSA-N 1 0 378.318 2.985 20 0 GFADRO CS(=O)(=O)N1CCC[C@@H]([NH2+]Cc2ccnc3c(Br)cccc23)C1 ZINC000449100514 563907011 /nfs/dbraw/zinc/90/70/11/563907011.db2.gz RPDXXFOCLLXDOE-CYBMUJFWSA-N 1 0 398.326 2.511 20 0 GFADRO NC(=O)[C@H]1CCC[N@H+](CCCN[C@H]2CCc3c2ccc(F)c3Br)C1 ZINC000449136664 563907306 /nfs/dbraw/zinc/90/73/06/563907306.db2.gz VTOLOEMQKOQPJO-LRDDRELGSA-N 1 0 398.320 2.753 20 0 GFADRO O=C(C1CCC1)N1CCN(CC[NH2+]Cc2cc(F)cc(Br)c2)CC1 ZINC000449151510 563907316 /nfs/dbraw/zinc/90/73/16/563907316.db2.gz XVTBTPBKJIGNGF-UHFFFAOYSA-N 1 0 398.320 2.622 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]C[C@H]1CCC[C@H](O)C1 ZINC000449166332 563907421 /nfs/dbraw/zinc/90/74/21/563907421.db2.gz ZUTICUISIIPAHB-XEZPLFJOSA-N 1 0 399.329 2.603 20 0 GFADRO CS(=O)(=O)c1cccc(C[NH2+][C@H]2CC(=O)N(c3ccccc3Cl)C2)c1 ZINC000449150006 563907465 /nfs/dbraw/zinc/90/74/65/563907465.db2.gz YLUXLBMJOGJQIV-AWEZNQCLSA-N 1 0 378.881 2.639 20 0 GFADRO CCOC(=O)c1cc(C[NH2+]CC(=O)Nc2cccc(Br)c2)[nH]c1C ZINC000449223594 563908171 /nfs/dbraw/zinc/90/81/71/563908171.db2.gz GABFUIGHHXESJL-UHFFFAOYSA-N 1 0 394.269 2.991 20 0 GFADRO Cc1cc(S(=O)(=O)NCC[NH2+]C2CCC3(CCOCC3)CC2)c(C)s1 ZINC000537954196 564178256 /nfs/dbraw/zinc/17/82/56/564178256.db2.gz XIYFUYZGJWAPLX-UHFFFAOYSA-N 1 0 386.583 2.972 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+][C@H]1CC[C@@H](OC)C1 ZINC000449277280 564178433 /nfs/dbraw/zinc/17/84/33/564178433.db2.gz VZKMNYKDJYYZFB-TUKIKUTGSA-N 1 0 385.302 2.620 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+][C@@H]1C[C@H]2OCCC[C@H]12 ZINC000449273486 564178909 /nfs/dbraw/zinc/17/89/09/564178909.db2.gz YWKCRNCRSPTDCP-LDXOSZSPSA-N 1 0 397.313 2.620 20 0 GFADRO COCCCS(=O)(=O)NCC[NH+]1CCC(C)(c2ccc(Cl)cc2)CC1 ZINC000470873895 564179060 /nfs/dbraw/zinc/17/90/60/564179060.db2.gz QQQTVFDMIYUBGX-UHFFFAOYSA-N 1 0 388.961 2.649 20 0 GFADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[N@H+](C)[C@H]1C[C@@H](OC)C1 ZINC000449313931 564179805 /nfs/dbraw/zinc/17/98/05/564179805.db2.gz BDMJLBALYJUZIF-DFBGVHRSSA-N 1 0 385.302 2.572 20 0 GFADRO COC(=O)Cn1cc(C[NH2+]C(C)(C)Cc2ccc(Br)c(C)c2)nn1 ZINC000449334529 564180765 /nfs/dbraw/zinc/18/07/65/564180765.db2.gz FCVCSCNNHADSKV-UHFFFAOYSA-N 1 0 395.301 2.633 20 0 GFADRO C[C@@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]CCn1cc(Br)ccc1=O ZINC000449372748 564181603 /nfs/dbraw/zinc/18/16/03/564181603.db2.gz ADCVRVYDKXYOET-CRAIPNDOSA-N 1 0 390.325 2.721 20 0 GFADRO C[N@H+](Cc1ccnc2c(Br)cccc12)[C@H]1CCN2CCO[C@H]1C2 ZINC000449361890 564182191 /nfs/dbraw/zinc/18/21/91/564182191.db2.gz JRGHCEJXEARUCE-IRXDYDNUSA-N 1 0 376.298 2.902 20 0 GFADRO CC(C)(C)NS(=O)(=O)CC[NH2+][C@@H]1CCc2c1cccc2Br ZINC000538117798 564182504 /nfs/dbraw/zinc/18/25/04/564182504.db2.gz WQMAXUSLTHIJMK-CQSZACIVSA-N 1 0 375.332 2.744 20 0 GFADRO OCC[N@@H+]1CCCC[C@@H]1CNCc1cn(-c2cccc(Cl)c2Cl)nn1 ZINC000449397910 564184230 /nfs/dbraw/zinc/18/42/30/564184230.db2.gz WLGODJWIBXRCAQ-CQSZACIVSA-N 1 0 384.311 2.511 20 0 GFADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCC(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000505527356 564184930 /nfs/dbraw/zinc/18/49/30/564184930.db2.gz JEZYSQUAJMCTIS-MRXNPFEDSA-N 1 0 394.313 2.720 20 0 GFADRO OCCC[N@@H+]1CCC[C@H]1CNCc1cn(-c2ccc(Cl)cc2Cl)nn1 ZINC000449390287 564185014 /nfs/dbraw/zinc/18/50/14/564185014.db2.gz VSTWSJCQBCVHFL-HNNXBMFYSA-N 1 0 384.311 2.511 20 0 GFADRO C[C@H](NC(=O)NC[C@@H](c1cccs1)N1CCN(C)CC1)c1nccs1 ZINC000563309176 564185165 /nfs/dbraw/zinc/18/51/65/564185165.db2.gz BDPKZFBUJDUBAB-KBPBESRZSA-N 1 0 379.555 2.554 20 0 GFADRO C[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)N1CCC(CC[NH3+])CC1 ZINC000563302151 564185262 /nfs/dbraw/zinc/18/52/62/564185262.db2.gz FIMHGLDGRXEUJE-LBPRGKRZSA-N 1 0 386.323 2.628 20 0 GFADRO CO[C@H]1COCC[C@@H]1C[NH2+]Cc1cc(Br)c2c(c1)OCCCO2 ZINC000449459531 564188044 /nfs/dbraw/zinc/18/80/44/564188044.db2.gz QKWNLHSDGWETAD-CJNGLKHVSA-N 1 0 386.286 2.752 20 0 GFADRO CO[C@H]1COCC[C@H]1C[NH2+]Cc1c(Br)cncc1Br ZINC000449462638 564188251 /nfs/dbraw/zinc/18/82/51/564188251.db2.gz URODLYFECVKNQL-ZANVPECISA-N 1 0 394.107 2.748 20 0 GFADRO NC(=O)c1ccc(C[NH2+]C[C@H](CO)Cc2cc(Br)ccc2F)cc1 ZINC000449599969 564190806 /nfs/dbraw/zinc/19/08/06/564190806.db2.gz MVQUNFOZUZXBFS-CYBMUJFWSA-N 1 0 395.272 2.628 20 0 GFADRO CC(C)n1cc(C[NH2+]C[C@H](CO)Cc2cc(Br)ccc2F)nn1 ZINC000449596674 564190991 /nfs/dbraw/zinc/19/09/91/564190991.db2.gz BZKFITNYFLATFA-GFCCVEGCSA-N 1 0 385.281 2.701 20 0 GFADRO C=Cn1cc(C[NH2+]C[C@@H](CO)Cc2ccc(OC)c(Br)c2)cn1 ZINC000449600008 564191047 /nfs/dbraw/zinc/19/10/47/564191047.db2.gz NBGMBYWFEINDJW-AWEZNQCLSA-N 1 0 380.286 2.696 20 0 GFADRO COCC[C@H](Cc1cccc(Br)c1)C(=O)N1C[C@H](C)[NH2+]C[C@H]1C ZINC000505838456 564191491 /nfs/dbraw/zinc/19/14/91/564191491.db2.gz HRQIIXJCOGBHKG-SQWLQELKSA-N 1 0 383.330 2.853 20 0 GFADRO CCN(C(C)=O)c1nc(CNc2cc(N(C)C)c(Br)c[nH+]2)cs1 ZINC000449648557 564193433 /nfs/dbraw/zinc/19/34/33/564193433.db2.gz QXKLEBQWMAJVEW-UHFFFAOYSA-N 1 0 398.330 3.352 20 0 GFADRO C[C@H](Cn1cc(Br)cn1)[NH2+]C[C@@H](c1nnc[nH]1)c1ccccc1 ZINC000449672966 564194523 /nfs/dbraw/zinc/19/45/23/564194523.db2.gz YNBMNTLQZFCIJA-IUODEOHRSA-N 1 0 375.274 2.574 20 0 GFADRO CC1(CNC(=O)c2cn(-c3ccc(Br)cc3)cn2)CC[NH2+]CC1 ZINC000563530457 564195130 /nfs/dbraw/zinc/19/51/30/564195130.db2.gz YKKOETCHDKPQBH-UHFFFAOYSA-N 1 0 377.286 2.754 20 0 GFADRO CCNC(=O)[C@H](C)[NH2+][C@@H]1CCCOc2ccc(I)cc21 ZINC000538622983 564195220 /nfs/dbraw/zinc/19/52/20/564195220.db2.gz SKHQJOHQYYGDCW-GXFFZTMASA-N 1 0 388.249 2.619 20 0 GFADRO COc1ccc(Br)cc1C[C@H](CO)C[NH2+][C@H]1CN(C2CC2)C[C@@H]1C ZINC000449681883 564195376 /nfs/dbraw/zinc/19/53/76/564195376.db2.gz MSTVQVVYSSUKSF-DEYYWGMASA-N 1 0 397.357 2.681 20 0 GFADRO CC1(C)C[NH2+]CC[C@@H]1NC(=O)c1ccc(S(=O)(=O)c2ccccc2)s1 ZINC000449701911 564197824 /nfs/dbraw/zinc/19/78/24/564197824.db2.gz CRSBHOJXHFVPCN-HNNXBMFYSA-N 1 0 378.519 2.699 20 0 GFADRO O=C(NC[C@@H]1C[NH2+]CCO1)NCC1(c2cccc(Br)c2)CCCC1 ZINC000563585436 564197917 /nfs/dbraw/zinc/19/79/17/564197917.db2.gz GSAYFUGOCSMMGC-INIZCTEOSA-N 1 0 396.329 2.549 20 0 GFADRO [NH3+]C[C@H]1CC[C@H](NC(=O)c2cc(I)ccc2Cl)C1 ZINC000449723662 564198616 /nfs/dbraw/zinc/19/86/16/564198616.db2.gz XIRYEUJXEZXQKS-WPRPVWTQSA-N 1 0 378.641 2.802 20 0 GFADRO C[C@H](C(=O)NCCCOc1ncc(C(F)(F)F)cc1Cl)[NH+]1CC(C)C1 ZINC000563636196 564200440 /nfs/dbraw/zinc/20/04/40/564200440.db2.gz LOXXVPFWFKUYQM-LLVKDONJSA-N 1 0 379.810 2.979 20 0 GFADRO C[NH+]1CCC([C@@H]2CCN(c3cc(Br)cc(F)c3C(N)=O)C2)CC1 ZINC000538788617 564201432 /nfs/dbraw/zinc/20/14/32/564201432.db2.gz QRTKOAQHRBALKD-GFCCVEGCSA-N 1 0 384.293 2.855 20 0 GFADRO O=C(NCCCCn1cc(Br)cn1)NC1CC[NH+](CC2CC2)CC1 ZINC000471673998 564201674 /nfs/dbraw/zinc/20/16/74/564201674.db2.gz NNNZJOAFQHJQFX-UHFFFAOYSA-N 1 0 398.349 2.599 20 0 GFADRO CS(=O)(=O)[C@H]1CCC[C@H]([NH2+]Cc2nc3c(cccc3Br)[nH]2)C1 ZINC000449773995 564202081 /nfs/dbraw/zinc/20/20/81/564202081.db2.gz NYOSCJHUQOQXHK-QWRGUYRKSA-N 1 0 386.315 2.771 20 0 GFADRO CC[NH+](CC)CC[C@@H](CO)NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000538821591 564202304 /nfs/dbraw/zinc/20/23/04/564202304.db2.gz RHTMAEVCSNXZHN-JSGCOSHPSA-N 1 0 377.312 2.970 20 0 GFADRO CC(=O)c1cc(Br)ccc1OCC(=O)NCC[NH+]1CCC(C)CC1 ZINC000506495138 564203450 /nfs/dbraw/zinc/20/34/50/564203450.db2.gz KCBHSSHLZYEHRO-UHFFFAOYSA-N 1 0 397.313 2.879 20 0 GFADRO CCC[C@@H]([NH2+]C(C)C)C(=O)N[C@H]1CCO[C@@H]1c1cncc(Br)c1 ZINC000506456459 564203471 /nfs/dbraw/zinc/20/34/71/564203471.db2.gz QEHLHVWAHZLJHL-ARFHVFGLSA-N 1 0 384.318 2.957 20 0 GFADRO Cc1cccc(CN(CC[NH+](C)C)C(=O)c2c(Br)cnn2C)c1 ZINC000449841728 564205831 /nfs/dbraw/zinc/20/58/31/564205831.db2.gz WPCOUGDPZCQFRB-UHFFFAOYSA-N 1 0 379.302 2.695 20 0 GFADRO CC(C)N(C)C[C@@H](C)[NH2+][C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000563753614 564205804 /nfs/dbraw/zinc/20/58/04/564205804.db2.gz IFWOGBJZKWAMMP-DOMZBBRYSA-N 1 0 389.359 2.986 20 0 GFADRO C[C@H]([NH2+]CCCNS(=O)(=O)c1ccccc1Br)c1cccnc1 ZINC000506645066 564207294 /nfs/dbraw/zinc/20/72/94/564207294.db2.gz GCSYTWJEFSLOFE-ZDUSSCGKSA-N 1 0 398.326 2.863 20 0 GFADRO C[C@H]([NH2+]CCCNS(=O)(=O)c1ccccc1Br)c1ccncc1 ZINC000506639608 564207488 /nfs/dbraw/zinc/20/74/88/564207488.db2.gz LFJQHSDVWQABJH-ZDUSSCGKSA-N 1 0 398.326 2.863 20 0 GFADRO C[C@H]([NH2+][C@@H]1CC(=O)N(CCN2CCOCC2)C1)c1cc(Cl)cc(Cl)c1 ZINC000539085517 564208462 /nfs/dbraw/zinc/20/84/62/564208462.db2.gz XJXLOFZYFNZTHH-SUMWQHHRSA-N 1 0 386.323 2.577 20 0 GFADRO CCC[NH+]1CCC(NC(=O)NCCCCn2cc(Br)cn2)CC1 ZINC000472007660 564210019 /nfs/dbraw/zinc/21/00/19/564210019.db2.gz MFKCAANWIREBBH-UHFFFAOYSA-N 1 0 386.338 2.599 20 0 GFADRO O=S(=O)(Cc1ccccc1)N1CCC([NH2+]Cc2ncc(Cl)s2)CC1 ZINC000472045842 564211178 /nfs/dbraw/zinc/21/11/78/564211178.db2.gz WZXDXGVZMJRKFN-UHFFFAOYSA-N 1 0 385.942 2.881 20 0 GFADRO CC(C)OCC[C@@H](O)C[N@H+](CCO)Cc1cc(Br)ccc1F ZINC000472163569 564214460 /nfs/dbraw/zinc/21/44/60/564214460.db2.gz QGHKRWIYGXTXSV-OAHLLOKOSA-N 1 0 378.282 2.559 20 0 GFADRO OC[C@H]([NH2+]Cc1ccnc(-c2ccc(Br)cc2)n1)C1CCOCC1 ZINC000564002967 564216740 /nfs/dbraw/zinc/21/67/40/564216740.db2.gz QJLJAUZGQZGNBG-KRWDZBQOSA-N 1 0 392.297 2.783 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2ccc(S(=O)(=O)CC)s2)C[C@H]1C ZINC000472277454 564218437 /nfs/dbraw/zinc/21/84/37/564218437.db2.gz PMRQGIUBKYPXNN-KGLIPLIRSA-N 1 0 387.571 2.556 20 0 GFADRO CN(CCC[NH+](C)C)C(=O)[C@H](c1ccc(Cl)cc1Cl)N1CCOCC1 ZINC000539418200 564219323 /nfs/dbraw/zinc/21/93/23/564219323.db2.gz XHMAGKRURJPYEM-KRWDZBQOSA-N 1 0 388.339 2.777 20 0 GFADRO Cc1cc(C[N@@H+]2CCCC[C@H]2CNS(C)(=O)=O)cc(C)c1OC(F)F ZINC000507162913 564220086 /nfs/dbraw/zinc/22/00/86/564220086.db2.gz XBNXHXSOPWKZHB-HNNXBMFYSA-N 1 0 376.469 2.809 20 0 GFADRO O=C(NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1ccsc1Br ZINC000450172667 564221184 /nfs/dbraw/zinc/22/11/84/564221184.db2.gz MIIXWFMKWKIDSO-CQSZACIVSA-N 1 0 395.322 2.660 20 0 GFADRO C[C@H]([NH2+]C[C@H]1CCCCN1S(C)(=O)=O)c1cccc(Br)c1 ZINC000507209333 564221715 /nfs/dbraw/zinc/22/17/15/564221715.db2.gz GUXXITWXCAEALP-SWLSCSKDSA-N 1 0 375.332 2.914 20 0 GFADRO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)Nc1ccncc1Br ZINC000507248279 564223358 /nfs/dbraw/zinc/22/33/58/564223358.db2.gz NDWLZJGFJPRSJA-CQSZACIVSA-N 1 0 377.286 2.560 20 0 GFADRO O=C1[C@H]([NH2+]Cc2cnn3ccccc23)CCN1c1cccc(Br)c1 ZINC000507242838 564223458 /nfs/dbraw/zinc/22/34/58/564223458.db2.gz HUMKJWJRUXOZIJ-MRXNPFEDSA-N 1 0 385.265 2.992 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2C(=O)Cc1sccc1Br ZINC000450293387 564225580 /nfs/dbraw/zinc/22/55/80/564225580.db2.gz XHBNKNQIQGUPSU-MRVWCRGKSA-N 1 0 387.343 2.763 20 0 GFADRO C[C@H]1CN(C(=O)c2ccsc2Br)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000450312480 564226955 /nfs/dbraw/zinc/22/69/55/564226955.db2.gz HSPFPFQGKIONOZ-GXTWGEPZSA-N 1 0 386.359 2.609 20 0 GFADRO COCCCOc1ccc(Cl)cc1S(=O)(=O)N[C@@H](C)C[N@H+](C)C(C)C ZINC000564353243 564229496 /nfs/dbraw/zinc/22/94/96/564229496.db2.gz AKCSQQZZPBKQBS-AWEZNQCLSA-N 1 0 392.949 2.762 20 0 GFADRO C[C@@H]([NH2+]CCS(=O)(=O)c1ccc(Br)cc1)[C@@H]1CCCOC1 ZINC000507507582 564230842 /nfs/dbraw/zinc/23/08/42/564230842.db2.gz IGRVRMXIESJVSR-CHWSQXEVSA-N 1 0 376.316 2.628 20 0 GFADRO C[C@@H]1C[N@H+](CCCNc2ncnc3cc(Br)ccc32)CCCO1 ZINC000450487974 564234255 /nfs/dbraw/zinc/23/42/55/564234255.db2.gz NWRSYZAFVCBEDS-CYBMUJFWSA-N 1 0 379.302 3.305 20 0 GFADRO COCCOC[C@H](O)C[N@@H+]1CCC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000450491894 564235721 /nfs/dbraw/zinc/23/57/21/564235721.db2.gz YIQPJBCJPOWRGI-HIFRSBDPSA-N 1 0 378.296 2.861 20 0 GFADRO Cc1cccc(NC(=O)C(=O)N2C[C@H]([NH+]3CCCC3)C[C@H]2C)c1Br ZINC000507634547 564236282 /nfs/dbraw/zinc/23/62/82/564236282.db2.gz TXYCHTRRKKGJOO-ZIAGYGMSSA-N 1 0 394.313 2.781 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)C(=O)N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C ZINC000507631654 564236338 /nfs/dbraw/zinc/23/63/38/564236338.db2.gz NSBIIRVACPBLIK-ZFWWWQNUSA-N 1 0 394.313 2.781 20 0 GFADRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)C(=O)Nc1cc(F)ccc1Br ZINC000507631980 564236374 /nfs/dbraw/zinc/23/63/74/564236374.db2.gz PCZGEPTZEZOENE-YPMHNXCESA-N 1 0 398.276 2.612 20 0 GFADRO CCNC(=O)N1CC[C@H]([NH2+][C@H](C)c2ccccc2I)C1 ZINC000540157903 564241280 /nfs/dbraw/zinc/24/12/80/564241280.db2.gz MNEOJQRZNLSXCU-NEPJUHHUSA-N 1 0 387.265 2.746 20 0 GFADRO CSC1(CNC(=O)N[C@H](C)c2ccc([S@@](C)=O)cc2)CC[NH+](C)CC1 ZINC000564618979 564241877 /nfs/dbraw/zinc/24/18/77/564241877.db2.gz CAACCXWOJBVUCW-DLUDVSRJSA-N 1 0 383.583 2.612 20 0 GFADRO CC(C)C[C@H](Cc1cccc(Br)c1)C(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000564650774 564243645 /nfs/dbraw/zinc/24/36/45/564243645.db2.gz CUUXLMLZZATZDF-AEFFLSMTSA-N 1 0 396.373 2.674 20 0 GFADRO CC(=O)N[C@@H](CC(=O)Nc1nc(C2CC[NH2+]CC2)cs1)c1cccs1 ZINC000564650746 564243876 /nfs/dbraw/zinc/24/38/76/564243876.db2.gz QKHDPTWLUMGMJN-ZDUSSCGKSA-N 1 0 378.523 2.878 20 0 GFADRO C[NH+](C)CCN(C(=O)c1ncc(Br)cc1Br)C1CC1 ZINC000473284780 564243982 /nfs/dbraw/zinc/24/39/82/564243982.db2.gz VHDLPORWHMOAGR-UHFFFAOYSA-N 1 0 391.107 2.773 20 0 GFADRO CC[NH+]1CCN(c2cccc(NC(=O)c3c(Br)cnn3C)c2)CC1 ZINC000450710136 564244368 /nfs/dbraw/zinc/24/43/68/564244368.db2.gz PLADYAYYKOSQNY-UHFFFAOYSA-N 1 0 392.301 2.577 20 0 GFADRO CCCC[N@H+](C)CCNC(=O)C(=O)Nc1cc(F)c(Br)cc1C ZINC000473367396 564245353 /nfs/dbraw/zinc/24/53/53/564245353.db2.gz GEGHZDUVCNOOJH-UHFFFAOYSA-N 1 0 388.281 2.683 20 0 GFADRO O[C@H](C[NH2+][C@@H](c1ccc(Br)cc1)C1CCC1)CN1CCOCC1 ZINC000540380216 564246964 /nfs/dbraw/zinc/24/69/64/564246964.db2.gz MNCUAHCKDDJLNW-QZTJIDSGSA-N 1 0 383.330 2.573 20 0 GFADRO CS[C@H](CNC(=O)C(=O)N(CC[NH+](C)C)Cc1cccs1)C(C)(C)C ZINC000564754886 564248391 /nfs/dbraw/zinc/24/83/91/564248391.db2.gz QZEUFCLYVGJYPC-OAHLLOKOSA-N 1 0 385.599 2.532 20 0 GFADRO O[C@@H](C[NH2+][C@@H]1C[C@H]1c1ccc(Br)s1)COC1CCOCC1 ZINC000564792171 564249139 /nfs/dbraw/zinc/24/91/39/564249139.db2.gz FAAUDEGMRXCFHK-CYZMBNFOSA-N 1 0 376.316 2.513 20 0 GFADRO CN(CCC[NH+](C)C)C(=O)CCC[S@@](=O)c1ccc(Br)cc1 ZINC000540516222 564250510 /nfs/dbraw/zinc/25/05/10/564250510.db2.gz AMHLRBMVUBHGSV-JOCHJYFZSA-N 1 0 389.359 2.747 20 0 GFADRO Cc1csc(C(=O)N[C@H](C)[C@@H]2CCC[NH2+]C2)c1I ZINC000564837576 564251341 /nfs/dbraw/zinc/25/13/41/564251341.db2.gz VSVPTRBPPYIQDZ-NXEZZACHSA-N 1 0 378.279 2.779 20 0 GFADRO COCCOC[C@H](O)C[NH2+][C@H]1c2cc(Br)ccc2SC[C@H]1C ZINC000564845623 564251689 /nfs/dbraw/zinc/25/16/89/564251689.db2.gz ZPYSMLICZYRTBI-AXAPSJFSSA-N 1 0 390.343 2.846 20 0 GFADRO O[C@H](C[NH2+][C@@H]1CC[C@@H](O)CC1)COc1ccc(Cl)cc1Br ZINC000564857416 564252763 /nfs/dbraw/zinc/25/27/63/564252763.db2.gz LUWNBOTYXVCSOS-JHJVBQTASA-N 1 0 378.694 2.735 20 0 GFADRO CCS(=O)(=O)c1cccc(C[NH2+]C[C@H](O)COc2ccccc2Cl)c1 ZINC000564865215 564253990 /nfs/dbraw/zinc/25/39/90/564253990.db2.gz WWQXZSAWCWYPFP-HNNXBMFYSA-N 1 0 383.897 2.663 20 0 GFADRO O=S1(=O)CC[C@]2(C1)C[C@H]([NH2+]Cc1csc(-c3ccccc3)n1)CCO2 ZINC000540687246 564254798 /nfs/dbraw/zinc/25/47/98/564254798.db2.gz GXDQJYRQRGKEFC-CRAIPNDOSA-N 1 0 378.519 2.636 20 0 GFADRO Cn1ccnc1Sc1ncc(C(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)cc1Cl ZINC000564955735 564259149 /nfs/dbraw/zinc/25/91/49/564259149.db2.gz XUSHFAQFFIMRNB-DGCLKSJQSA-N 1 0 379.917 2.867 20 0 GFADRO Cc1cc(S(=O)(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)c(F)cc1Br ZINC000564966813 564259815 /nfs/dbraw/zinc/25/98/15/564259815.db2.gz LJHURYOTIMSMTC-HNNXBMFYSA-N 1 0 391.306 2.661 20 0 GFADRO COC(=O)C[C@](C)([NH2+]C[C@H]1CCNC(=O)CC1)c1ccc(Br)cc1 ZINC000450990930 564260356 /nfs/dbraw/zinc/26/03/56/564260356.db2.gz VPQXONHKFGIJCN-ACJLOTCBSA-N 1 0 397.313 2.733 20 0 GFADRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)CNC(=O)c1ccc(Cl)c(Cl)c1 ZINC000508312435 564261119 /nfs/dbraw/zinc/26/11/19/564261119.db2.gz FMIJFWJFVYJUCQ-QWHCGFSZSA-N 1 0 386.323 2.960 20 0 GFADRO O=C(NCc1cc(Br)ccc1Br)[C@@H]1CCCC[NH2+]1 ZINC000564993860 564261614 /nfs/dbraw/zinc/26/16/14/564261614.db2.gz ZKIBKTMWUNLGJF-LBPRGKRZSA-N 1 0 376.092 2.970 20 0 GFADRO COC(=O)c1cc(NC(=O)[C@H]2CC23CC[NH2+]CC3)cc(Br)c1F ZINC000564992659 564261933 /nfs/dbraw/zinc/26/19/33/564261933.db2.gz ICIOLNZUFYAVLK-LLVKDONJSA-N 1 0 385.233 2.703 20 0 GFADRO COCC[N@H+](C)CCCNC(=O)c1cc(Br)ccc1OC(F)F ZINC000565016534 564262664 /nfs/dbraw/zinc/26/26/64/564262664.db2.gz SMBVDIZXPHLRLW-UHFFFAOYSA-N 1 0 395.244 2.749 20 0 GFADRO C[C@@](CO)([NH2+]C[C@H](O)COc1cc(Cl)ccc1Cl)c1cccc(O)c1 ZINC000451035985 564265666 /nfs/dbraw/zinc/26/56/66/564265666.db2.gz HGGCPRFEXLYFHN-YJBOKZPZSA-N 1 0 386.275 2.936 20 0 GFADRO Cn1cc([C@@H]2CN(C(=O)c3[nH]c4ccc(Cl)cc4c3Cl)C[C@H]2[NH3+])cn1 ZINC000565149523 564267477 /nfs/dbraw/zinc/26/74/77/564267477.db2.gz SXOPWJQVYJJKBR-QWHCGFSZSA-N 1 0 378.263 2.775 20 0 GFADRO COCC1(CNC(=O)c2[nH]c3ccccc3c2Br)CC[NH2+]CC1 ZINC000565151979 564267955 /nfs/dbraw/zinc/26/79/55/564267955.db2.gz SYKFKWXAJPJTBJ-UHFFFAOYSA-N 1 0 380.286 2.676 20 0 GFADRO CCN1CC[C@H]([NH2+][C@H](C)CS(=O)(=O)CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000541175199 564268566 /nfs/dbraw/zinc/26/85/66/564268566.db2.gz ARAIQQCKRRPFJZ-PJQXDXOGSA-N 1 0 378.460 2.652 20 0 GFADRO CC[NH+](CC)CCO[C@H]1CCN(S(=O)(=O)c2cc(F)ccc2Cl)C1 ZINC000474171901 564268681 /nfs/dbraw/zinc/26/86/81/564268681.db2.gz PPWLPYXHZQLJSK-AWEZNQCLSA-N 1 0 378.897 2.601 20 0 GFADRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)COc1c(Cl)cccc1Cl ZINC000474211579 564270383 /nfs/dbraw/zinc/27/03/83/564270383.db2.gz VRTNCNNWCKOFPN-LBPRGKRZSA-N 1 0 375.296 2.676 20 0 GFADRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)Nc1ccc(I)cc1F ZINC000565314359 564276182 /nfs/dbraw/zinc/27/61/82/564276182.db2.gz KEWIKSGUYPAEBE-QPUJVOFHSA-N 1 0 377.201 2.550 20 0 GFADRO Cc1sc(Br)cc1S(=O)(=O)N[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000474579887 564282618 /nfs/dbraw/zinc/28/26/18/564282618.db2.gz LIYNDOSUEZAKGS-NSHDSACASA-N 1 0 381.361 2.970 20 0 GFADRO COCCOCC[NH2+][C@@H](C)CCc1ccc(I)cc1 ZINC000474608337 564283288 /nfs/dbraw/zinc/28/32/88/564283288.db2.gz VCIHHGFACIKHAR-ZDUSSCGKSA-N 1 0 377.266 2.865 20 0 GFADRO CC(C)OCC[C@H](O)C[NH2+][C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000565535543 564285777 /nfs/dbraw/zinc/28/57/77/564285777.db2.gz NSYICXMWYAFBAL-BBRMVZONSA-N 1 0 375.296 2.864 20 0 GFADRO CCn1nccc1N1CCC[C@H]([NH2+][C@H](C)c2cncc(Br)c2)C1=O ZINC000565548808 564286658 /nfs/dbraw/zinc/28/66/58/564286658.db2.gz IQVNEJGFKAHTCR-DOMZBBRYSA-N 1 0 392.301 2.907 20 0 GFADRO C[C@H]([NH2+]CCS(=O)(=O)N1CCSCC1)C1CCC(C(F)(F)F)CC1 ZINC000474715041 564286743 /nfs/dbraw/zinc/28/67/43/564286743.db2.gz PRKYVAUDCHEGMF-HSBZDZAISA-N 1 0 388.521 2.712 20 0 GFADRO Cc1noc(CCC[NH2+]Cc2c(F)ccc(I)c2F)n1 ZINC000474709364 564286819 /nfs/dbraw/zinc/28/68/19/564286819.db2.gz DIZWVKWSKLYDCU-UHFFFAOYSA-N 1 0 393.175 2.983 20 0 GFADRO Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@H]2[NH2+]CCN2CCSCC2)cc1 ZINC000541734319 564287213 /nfs/dbraw/zinc/28/72/13/564287213.db2.gz LYPLEKSRRUITOU-RTBURBONSA-N 1 0 382.595 2.718 20 0 GFADRO CN(CCC[NH+]1CCCC1)S(=O)(=O)c1cc(Br)ccc1F ZINC000541764545 564287846 /nfs/dbraw/zinc/28/78/46/564287846.db2.gz FGKWOCGQGITQHZ-UHFFFAOYSA-N 1 0 379.295 2.695 20 0 GFADRO C[C@H]([NH2+][C@H]1CCOC1(C)C)C(=O)Nc1cccc(I)c1 ZINC000451235573 564290186 /nfs/dbraw/zinc/29/01/86/564290186.db2.gz KBAFSBCXDQSPAK-GWCFXTLKSA-N 1 0 388.249 2.775 20 0 GFADRO COC(=O)c1cc(Cl)c(C)c(S(=O)(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000451242728 564290794 /nfs/dbraw/zinc/29/07/94/564290794.db2.gz OCUWHOKITNGHII-RISCZKNCSA-N 1 0 388.917 2.538 20 0 GFADRO CN(CCC(=O)N[C@@H](CO)c1cccc(Br)c1)c1cc[nH+]cc1 ZINC000541854860 564292816 /nfs/dbraw/zinc/29/28/16/564292816.db2.gz RVUWIJCSSCWEGZ-INIZCTEOSA-N 1 0 378.270 2.520 20 0 GFADRO C[C@@H]1CC[N@H+](C)CCN1C(=O)c1cc(I)ccc1F ZINC000474934225 564293484 /nfs/dbraw/zinc/29/34/84/564293484.db2.gz PYRKTGQDNAHKQQ-SNVBAGLBSA-N 1 0 376.213 2.597 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(I)ccc1F ZINC000474906130 564293254 /nfs/dbraw/zinc/29/32/54/564293254.db2.gz KCJXWYHXXGUVRC-NSHDSACASA-N 1 0 376.213 2.644 20 0 GFADRO C[C@H]1C[C@@H](NC(=O)c2cc(I)ccc2F)C[N@@H+]1C1CC1 ZINC000474964897 564295881 /nfs/dbraw/zinc/29/58/81/564295881.db2.gz YQXSUSGGKOZKOD-GXSJLCMTSA-N 1 0 388.224 2.785 20 0 GFADRO COCCC[N@H+](C)CCNS(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000509407662 564296541 /nfs/dbraw/zinc/29/65/41/564296541.db2.gz LMXVLNSQMGTMQD-UHFFFAOYSA-N 1 0 388.839 2.605 20 0 GFADRO C[C@H]1C[C@@H](C[NH2+]CCS(=O)(=O)c2cccc(Br)c2)CCO1 ZINC000565828650 564297428 /nfs/dbraw/zinc/29/74/28/564297428.db2.gz XUBIDDJSCTZZAS-STQMWFEESA-N 1 0 376.316 2.628 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S(=O)(=O)CC[NH2+]C[C@H]1CC[C@@H](C)C1 ZINC000565829084 564297680 /nfs/dbraw/zinc/29/76/80/564297680.db2.gz UCLNULNGQPSMGC-CVEARBPZSA-N 1 0 387.567 2.670 20 0 GFADRO CC(C)[C@@H]1C[C@@H]([NH2+]CCNS(=O)(=O)c2ccc(F)cc2Cl)CCO1 ZINC000509411534 564297576 /nfs/dbraw/zinc/29/75/76/564297576.db2.gz UQTLYXOQDGZBLY-ZFWWWQNUSA-N 1 0 378.897 2.551 20 0 GFADRO O=S(=O)(NCC[NH2+]Cc1ccc(F)c(F)c1)c1ccc(F)cc1Cl ZINC000509410679 564297743 /nfs/dbraw/zinc/29/77/43/564297743.db2.gz NUTNVLBYJCFAMN-UHFFFAOYSA-N 1 0 378.803 2.825 20 0 GFADRO Cn1ccnc1CN1C[C@@H](F)C[C@H]1C[NH2+]Cc1cnc(C(F)(F)F)s1 ZINC000475055081 564298138 /nfs/dbraw/zinc/29/81/38/564298138.db2.gz REKKASWQZRWBAZ-QWRGUYRKSA-N 1 0 377.411 2.598 20 0 GFADRO CN(C)c1ccncc1C[NH2+]CCOc1ccc(I)cc1 ZINC000509430038 564298480 /nfs/dbraw/zinc/29/84/80/564298480.db2.gz NTAHKIBZLXNAFP-UHFFFAOYSA-N 1 0 397.260 2.921 20 0 GFADRO Cn1cc(CN2C[C@@H](F)C[C@H]2C[NH2+]Cc2ccccc2Br)cn1 ZINC000475041514 564298484 /nfs/dbraw/zinc/29/84/84/564298484.db2.gz GFXSYQDHAQTXIA-HOTGVXAUSA-N 1 0 381.293 2.885 20 0 GFADRO Cn1cc(-c2ccc(C[NH2+]Cc3cccc(CS(C)(=O)=O)c3)s2)cn1 ZINC000509465531 564300400 /nfs/dbraw/zinc/30/04/00/564300400.db2.gz REARZYNALGSENU-UHFFFAOYSA-N 1 0 375.519 2.983 20 0 GFADRO CC[C@H]1C[N@H+](C)CCN1C(=O)C1CCN(C(=O)c2ccc(Cl)s2)CC1 ZINC000565911445 564301404 /nfs/dbraw/zinc/30/14/04/564301404.db2.gz IQLHGAWVFWGTPT-AWEZNQCLSA-N 1 0 383.945 2.806 20 0 GFADRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(Cc2ncc(Br)s2)CC1 ZINC000542156232 564302901 /nfs/dbraw/zinc/30/29/01/564302901.db2.gz SXRVZUDJCBPNKT-OKILXGFUSA-N 1 0 387.391 2.896 20 0 GFADRO CC(C)[NH+](CCNC(=O)C(=O)N(C)Cc1ccc(Br)cc1)C(C)C ZINC000565940091 564303523 /nfs/dbraw/zinc/30/35/23/564303523.db2.gz LPQLVCWHNSFLOC-UHFFFAOYSA-N 1 0 398.345 2.643 20 0 GFADRO C[C@H](CCc1ccc(I)cc1)[NH2+][C@@H](CO)[C@H]1CCCO1 ZINC000475225156 564304002 /nfs/dbraw/zinc/30/40/02/564304002.db2.gz TUQZSBZORGWXNA-UHOFOFEASA-N 1 0 389.277 2.742 20 0 GFADRO CC[NH+](CC)C[C@H]1CCN(S(=O)(=O)Cc2ccccc2Br)C1 ZINC000565969323 564304368 /nfs/dbraw/zinc/30/43/68/564304368.db2.gz SMABKXDYCFNEOC-CQSZACIVSA-N 1 0 389.359 2.943 20 0 GFADRO Cc1ncsc1CCS(=O)(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000565991790 564304880 /nfs/dbraw/zinc/30/48/80/564304880.db2.gz CVDLFEAUZGBSIH-WBVHZDCISA-N 1 0 379.551 2.576 20 0 GFADRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)C(=O)Nc1cc(Br)ccc1F ZINC000509738832 564311657 /nfs/dbraw/zinc/31/16/57/564311657.db2.gz RPPLPOQGXFKKNR-NHYWBVRUSA-N 1 0 398.276 2.612 20 0 GFADRO Cc1cc(NC(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)[C@@H]2C)ccc1Br ZINC000509794095 564313543 /nfs/dbraw/zinc/31/35/43/564313543.db2.gz PUSFFDXLEIMGCS-BBRMVZONSA-N 1 0 394.313 2.781 20 0 GFADRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)C(=O)Nc1ccc(Br)c(F)c1 ZINC000509797701 564313781 /nfs/dbraw/zinc/31/37/81/564313781.db2.gz YNBKIGSUJPQHKY-XHDPSFHLSA-N 1 0 398.276 2.612 20 0 GFADRO C[C@H]([NH3+])C[C@H](C)NC(=O)N1CCO[C@@H](c2ccc(F)c(Br)c2)C1 ZINC000566192968 564315630 /nfs/dbraw/zinc/31/56/30/564315630.db2.gz GCMAJZFUJAPEGF-ZIBATOQPSA-N 1 0 388.281 2.797 20 0 GFADRO O=C1NCC[C@@H]1[N@H+](CCOc1cccc(Br)c1)C[C@@H]1CCCS1 ZINC000475688800 564316557 /nfs/dbraw/zinc/31/65/57/564316557.db2.gz PUORUXUHDITFJY-HOTGVXAUSA-N 1 0 399.354 2.914 20 0 GFADRO C[NH2+][C@H](C)Cc1noc([C@H](C)Oc2ccc(I)cc2)n1 ZINC000566213851 564317289 /nfs/dbraw/zinc/31/72/89/564317289.db2.gz FTIUBPLRXSEEHE-ZJUUUORDSA-N 1 0 387.221 2.965 20 0 GFADRO CC(C)C[C@@H]([NH2+]CC(=O)Nc1ccc(S(N)(=O)=O)cc1)c1cccs1 ZINC000542555198 564318653 /nfs/dbraw/zinc/31/86/53/564318653.db2.gz ARIVVFCTWOVDEP-OAHLLOKOSA-N 1 0 381.523 2.711 20 0 GFADRO CS[C@@H]1CN(S(=O)(=O)CCc2cccc(Cl)c2)C[C@H]1[NH+]1CCCC1 ZINC000509945236 564319049 /nfs/dbraw/zinc/31/90/49/564319049.db2.gz SIJOLWHQWWTJHE-IAGOWNOFSA-N 1 0 388.986 2.724 20 0 GFADRO CC[C@@H]1C[N@H+](C)CCCN1S(=O)(=O)c1cc(OC)cc(C(F)(F)F)c1 ZINC000451490602 564319382 /nfs/dbraw/zinc/31/93/82/564319382.db2.gz GQMWUDRBOLKOEL-CYBMUJFWSA-N 1 0 380.432 2.819 20 0 GFADRO Cn1ncc(Br)c1C[NH2+][C@@H]1CCCN(C(=O)Cc2ccccc2)C1 ZINC000509957803 564319973 /nfs/dbraw/zinc/31/99/73/564319973.db2.gz LVKMELYSMFPDPR-OAHLLOKOSA-N 1 0 391.313 2.506 20 0 GFADRO C[C@H](Sc1nnnn1CC[NH+](C)C)C(=O)Nc1cccc(Cl)c1Cl ZINC000510101065 564325298 /nfs/dbraw/zinc/32/52/98/564325298.db2.gz OAVLABQWSSQEPE-VIFPVBQESA-N 1 0 389.312 2.661 20 0 GFADRO Cc1cc(Br)cn2cc(CNC(=O)NC[C@H](C)[N@H+](C)C3CC3)nc12 ZINC000542767929 564325699 /nfs/dbraw/zinc/32/56/99/564325699.db2.gz GODZYAAJTNLEIQ-LBPRGKRZSA-N 1 0 394.317 2.687 20 0 GFADRO CO[C@H]1CCN(CC(=O)Nc2cccc(I)c2)C[C@@H]1C ZINC000451569189 564326797 /nfs/dbraw/zinc/32/67/97/564326797.db2.gz OGEZURGZJVNNRH-FZMZJTMJSA-N 1 0 388.249 2.587 20 0 GFADRO C[C@H](C(=O)NC(=O)NC1CC1)N1CC[C@H](c2cccc(Br)c2)C1 ZINC000451572624 564327270 /nfs/dbraw/zinc/32/72/70/564327270.db2.gz SFGLEMZAGHPHMC-YPMHNXCESA-N 1 0 380.286 2.615 20 0 GFADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@H](C)Cc1ccc(Br)cc1 ZINC000476183178 564329678 /nfs/dbraw/zinc/32/96/78/564329678.db2.gz QYIZPSFIHHPDSS-RHSMWYFYSA-N 1 0 398.345 2.790 20 0 GFADRO CC1CC[NH+](CCCNC(=O)C(=O)NCc2cccc(Cl)c2Cl)CC1 ZINC000566515774 564330350 /nfs/dbraw/zinc/33/03/50/564330350.db2.gz GWXQLQNJLVLAGM-UHFFFAOYSA-N 1 0 386.323 2.848 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)N[C@H](CCO)c2ccccc2Br)CC[N@@H+]1C ZINC000542896920 564330501 /nfs/dbraw/zinc/33/05/01/564330501.db2.gz XSDMCEFXNNJSNO-XJKCOSOUSA-N 1 0 384.318 2.655 20 0 GFADRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1S(=O)(=O)c1ccc(Br)cc1F ZINC000510524637 564336822 /nfs/dbraw/zinc/33/68/22/564336822.db2.gz YDIYTYGQEWWKDD-WCQYABFASA-N 1 0 391.306 2.836 20 0 GFADRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1S(=O)(=O)c1ccccc1OC(F)(F)F ZINC000510538485 564337731 /nfs/dbraw/zinc/33/77/31/564337731.db2.gz MWRAEJSGDPVMEN-CHWSQXEVSA-N 1 0 378.416 2.833 20 0 GFADRO O=C(Cc1ccc(Br)s1)N1CC[C@H](OCC[NH+]2CCCC2)C1 ZINC000476458618 564340603 /nfs/dbraw/zinc/34/06/03/564340603.db2.gz JVCVZCAXKNEFEW-ZDUSSCGKSA-N 1 0 387.343 2.766 20 0 GFADRO O=C1[C@@H]([NH2+][C@H]2CCc3ccc(Br)cc32)CCN1C1CCOCC1 ZINC000510670819 564343372 /nfs/dbraw/zinc/34/33/72/564343372.db2.gz YBKSJVBXYGTSTF-IRXDYDNUSA-N 1 0 379.298 2.806 20 0 GFADRO O=C(NCCC[NH+]1CCCC1)N[C@@H]1CCN(c2ccccc2Br)C1 ZINC000476519929 564343495 /nfs/dbraw/zinc/34/34/95/564343495.db2.gz ZBBPITBEWSXRDX-OAHLLOKOSA-N 1 0 395.345 2.813 20 0 GFADRO CS(=O)(=O)N[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCc2c1cccc2Br ZINC000510812986 564347477 /nfs/dbraw/zinc/34/74/77/564347477.db2.gz PMJZRZJBROCGIY-OWCLPIDISA-N 1 0 387.343 2.886 20 0 GFADRO CC[NH+](CC)CCN(CCOC)C(=O)Cc1ccc(Br)s1 ZINC000510852480 564348473 /nfs/dbraw/zinc/34/84/73/564348473.db2.gz NTTXDXUDDRWGMO-UHFFFAOYSA-N 1 0 377.348 2.870 20 0 GFADRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)[C@H]3CCc4cc(Br)ccc43)[C@H]2C1 ZINC000566915002 564350075 /nfs/dbraw/zinc/35/00/75/564350075.db2.gz DRZZWOITEASYPC-OKZBNKHCSA-N 1 0 393.325 2.801 20 0 GFADRO CC(C)OC[C@H](O)C[N@H+](CCn1ccnc1)Cc1ccc(Br)o1 ZINC000510934575 564350573 /nfs/dbraw/zinc/35/05/73/564350573.db2.gz GPAIZGMIISZOJH-CQSZACIVSA-N 1 0 386.290 2.527 20 0 GFADRO COC[C@@H]([NH2+]CCNS(=O)(=O)c1ccc(F)cc1Cl)C1CCCC1 ZINC000510985459 564352684 /nfs/dbraw/zinc/35/26/84/564352684.db2.gz MHFAMFQMVJRPOS-OAHLLOKOSA-N 1 0 378.897 2.552 20 0 GFADRO Cc1ccc(CC(=O)N(C)CCC[N@@H+](C)CCN(C)C)c(Br)c1 ZINC000451797963 564353421 /nfs/dbraw/zinc/35/34/21/564353421.db2.gz SABJUUXUYXHDCT-UHFFFAOYSA-N 1 0 384.362 2.642 20 0 GFADRO C[C@H]1CN(C2CC2)C[C@H]1[NH2+]CCOc1ccc(I)cc1 ZINC000511042068 564354924 /nfs/dbraw/zinc/35/49/24/564354924.db2.gz AQIOMVIKKZHMRY-BLLLJJGKSA-N 1 0 386.277 2.742 20 0 GFADRO CC[NH+](CC)CCOCCNC(=O)Cc1ccc(F)c(Br)c1 ZINC000543612161 564355304 /nfs/dbraw/zinc/35/53/04/564355304.db2.gz XBYFKRUVOBTYDN-UHFFFAOYSA-N 1 0 375.282 2.605 20 0 GFADRO C[N@H+](CC(=O)N1CCc2c(Br)ccc(F)c2C1)[C@@H]1CCSC1 ZINC000543622166 564356413 /nfs/dbraw/zinc/35/64/13/564356413.db2.gz GFGYKDUIVVDJQX-LLVKDONJSA-N 1 0 387.318 2.910 20 0 GFADRO CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)COC1CCC([NH3+])CC1 ZINC000567106169 564357561 /nfs/dbraw/zinc/35/75/61/564357561.db2.gz FLLQGIGYOGDGLR-UHFFFAOYSA-N 1 0 388.295 2.677 20 0 GFADRO O=C(NCC[C@H]1CCC[NH2+]1)NC[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000567147968 564358978 /nfs/dbraw/zinc/35/89/78/564358978.db2.gz UTBKTLLTEOWOCH-GDBMZVCRSA-N 1 0 395.345 2.717 20 0 GFADRO C[S@](=O)CCC[NH2+]C1CCC(NC(=O)COc2ccc(Cl)cc2)CC1 ZINC000511207929 564362353 /nfs/dbraw/zinc/36/23/53/564362353.db2.gz VLQJJOPWLWVXIZ-HRTIZWQRSA-N 1 0 386.945 2.504 20 0 GFADRO CC1(C)NC(=O)N(CCCN2CCC[C@@H]2c2ccc(Br)cn2)C1=O ZINC000567242533 564362697 /nfs/dbraw/zinc/36/26/97/564362697.db2.gz HIBJIAUDMHDVCK-CQSZACIVSA-N 1 0 395.301 2.702 20 0 GFADRO CCN1CC[C@H](NC(=O)C[C@@H]2CSCC[NH2+]2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000567232083 564363278 /nfs/dbraw/zinc/36/32/78/564363278.db2.gz ANBHWNJBNIYZGV-SKDZVZGDSA-N 1 0 385.936 2.826 20 0 GFADRO CC[C@H](C)[N@H+](C)CCNC(=O)c1ccc(F)c(I)c1 ZINC000477093279 564364578 /nfs/dbraw/zinc/36/45/78/564364578.db2.gz UQZIKSGSTAUQAG-JTQLQIEISA-N 1 0 378.229 2.890 20 0 GFADRO Cc1cc(CCCC(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)c(C)s1 ZINC000511256602 564364730 /nfs/dbraw/zinc/36/47/30/564364730.db2.gz AUCOQIPSCDPZGE-HNNXBMFYSA-N 1 0 377.476 2.640 20 0 GFADRO Cn1ccnc1[C@@H](NS(=O)(=O)c1cc(F)ccc1Br)C1CC1 ZINC000511272962 564364951 /nfs/dbraw/zinc/36/49/51/564364951.db2.gz SJSREHQGQDHZLS-ZDUSSCGKSA-N 1 0 388.262 2.751 20 0 GFADRO O=C1CC[C@@H]([NH+]2CCN(CCOc3cc(Cl)cc(Cl)c3)CC2)CCN1 ZINC000451913836 564366719 /nfs/dbraw/zinc/36/67/19/564366719.db2.gz CLKODSQXPLRWHO-MRXNPFEDSA-N 1 0 386.323 2.659 20 0 GFADRO CNc1cc(I)ccc1C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000567351198 564367684 /nfs/dbraw/zinc/36/76/84/564367684.db2.gz RRWCMUPWQFMQAD-CYBMUJFWSA-N 1 0 399.276 2.643 20 0 GFADRO COC[C@@]1(CO)CC[N@H+](CC(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)C1 ZINC000451933157 564369502 /nfs/dbraw/zinc/36/95/02/564369502.db2.gz UILNDGPRMJEUAY-SJCJKPOMSA-N 1 0 375.296 2.501 20 0 GFADRO CS(=O)(=O)[C@@H]1CCC[C@@H]([NH2+]C[C@@H](CO)Cc2c(F)cccc2Cl)C1 ZINC000511431302 564372553 /nfs/dbraw/zinc/37/25/53/564372553.db2.gz RNDZWIFZSAXAQP-BFHYXJOUSA-N 1 0 377.909 2.576 20 0 GFADRO CC1(NC(=O)Nc2ccc(-c3ccc(Br)s3)nn2)CC[NH2+]CC1 ZINC000567473132 564373574 /nfs/dbraw/zinc/37/35/74/564373574.db2.gz ZWLLHIFPGXPZCL-UHFFFAOYSA-N 1 0 396.314 3.231 20 0 GFADRO CC(=O)Nc1ccc(C[NH2+]C[C@H](O)COc2ccc(Br)cc2)cc1 ZINC000567492865 564374505 /nfs/dbraw/zinc/37/45/05/564374505.db2.gz WSLJYMMZSZPJFD-KRWDZBQOSA-N 1 0 393.281 2.937 20 0 GFADRO Cc1ccc(S(=O)(=O)C[C@@H](C)[NH2+]Cc2ccc(C[S@](C)=O)cc2)cc1 ZINC000567532342 564375745 /nfs/dbraw/zinc/37/57/45/564375745.db2.gz USBKPAGEGJRVCF-GYCJOSAFSA-N 1 0 379.547 2.826 20 0 GFADRO C[N@H+](CCOc1ccc(S(N)(=O)=O)cc1F)C[C@H]1CCCCC1(F)F ZINC000451988464 564377182 /nfs/dbraw/zinc/37/71/82/564377182.db2.gz NSEXRFRVDXCGMX-GFCCVEGCSA-N 1 0 380.432 2.609 20 0 GFADRO CN(Cc1ccc(Br)cc1Cl)C(=O)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O ZINC000567611193 564379692 /nfs/dbraw/zinc/37/96/92/564379692.db2.gz PIGHKAAVRRKWHR-YHWZYXNKSA-N 1 0 399.716 2.876 20 0 GFADRO CC[NH+]1CCC(CNC(=O)Cc2cccc(I)c2)CC1 ZINC000567661807 564381396 /nfs/dbraw/zinc/38/13/96/564381396.db2.gz QUIOPURGYNTGGA-UHFFFAOYSA-N 1 0 386.277 2.682 20 0 GFADRO O=C(NCC[N@H+]1CC=CCC1)c1c(Cl)cccc1I ZINC000477627150 564382092 /nfs/dbraw/zinc/38/20/92/564382092.db2.gz PXTXPDFEEBTTHF-UHFFFAOYSA-N 1 0 390.652 2.936 20 0 GFADRO O[C@@H](C[NH2+]CCOc1ncc(Cl)cc1Cl)COCc1cccs1 ZINC000567688323 564383444 /nfs/dbraw/zinc/38/34/44/564383444.db2.gz NPQHULVUZKYMKM-LBPRGKRZSA-N 1 0 377.293 2.996 20 0 GFADRO COc1ccc(CNC(=O)N(C)[C@@H]2CC[N@@H+](C3CC3)C2)cc1Br ZINC000477690446 564384202 /nfs/dbraw/zinc/38/42/02/564384202.db2.gz KMALZUKQNHYNPJ-CQSZACIVSA-N 1 0 382.302 2.836 20 0 GFADRO CCN(CC)[C@H](C)C[NH2+]C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000567726474 564385267 /nfs/dbraw/zinc/38/52/67/564385267.db2.gz GEIKBEBFFVMWMO-DOMZBBRYSA-N 1 0 377.298 2.648 20 0 GFADRO Cc1ccc(I)cc1C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000477778754 564387765 /nfs/dbraw/zinc/38/77/65/564387765.db2.gz INTLYOZDHLDGFX-XHDPSFHLSA-N 1 0 384.261 2.812 20 0 GFADRO COc1ccc(CNC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)c(Br)c1 ZINC000511996079 564388494 /nfs/dbraw/zinc/38/84/94/564388494.db2.gz FPLHHHBULCHKEQ-ROUUACIJSA-N 1 0 383.330 2.925 20 0 GFADRO CS(=O)(=O)[C@H]1CCCC[C@@H]1[NH2+]CCCOc1ccc(C(F)(F)F)cn1 ZINC000477926675 564390610 /nfs/dbraw/zinc/39/06/10/564390610.db2.gz MXAXRVITJREDDC-KBPBESRZSA-N 1 0 380.432 2.815 20 0 GFADRO COC[C@@]1(CNC(=O)Cc2csc(-c3ccccc3Cl)n2)CCC[NH2+]1 ZINC000567836645 564391580 /nfs/dbraw/zinc/39/15/80/564391580.db2.gz FZRXXEYKEQVHBS-SFHVURJKSA-N 1 0 379.913 2.891 20 0 GFADRO CC(C)[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2ccc(OCC(F)(F)F)cc2)C1 ZINC000452103585 564392639 /nfs/dbraw/zinc/39/26/39/564392639.db2.gz KWLXCDXDDSPZPP-CYBMUJFWSA-N 1 0 380.432 2.731 20 0 GFADRO COCCOc1c(Cl)cc(S(=O)(=O)N(C)C2(C[NH3+])CCC2)cc1Cl ZINC000567861651 564392802 /nfs/dbraw/zinc/39/28/02/564392802.db2.gz LNUHJSXHOYDLFI-UHFFFAOYSA-N 1 0 397.324 2.521 20 0 GFADRO O=S(=O)(N[C@H]1CCCN(Cc2ccc(F)cc2Cl)C1)[C@H]1CCCOC1 ZINC000544660590 564392790 /nfs/dbraw/zinc/39/27/90/564392790.db2.gz JIRJBOUPBKTXHQ-HOTGVXAUSA-N 1 0 390.908 2.542 20 0 GFADRO O=S1(=O)C[C@@H](C[NH2+]Cc2cccc(Br)c2)Oc2ccccc21 ZINC000567853155 564392944 /nfs/dbraw/zinc/39/29/44/564392944.db2.gz YWLTZKHYDWEQDB-CQSZACIVSA-N 1 0 382.279 2.774 20 0 GFADRO FC(F)[C@H]1C[NH2+]CCN1Cc1cc(Br)c2c(c1)OCCCO2 ZINC000567870909 564393923 /nfs/dbraw/zinc/39/39/23/564393923.db2.gz XLENARDKAFHCDY-GFCCVEGCSA-N 1 0 377.229 2.649 20 0 GFADRO C[C@@H]1CSC[C@H]1[NH2+]CC(=O)Nc1ccc(I)cc1 ZINC000512182596 564395091 /nfs/dbraw/zinc/39/50/91/564395091.db2.gz FBCWJKUIACGPPJ-BXKDBHETSA-N 1 0 376.263 2.571 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C(=O)N1CC[NH2+][C@H](C)[C@H]1C ZINC000567915836 564395501 /nfs/dbraw/zinc/39/55/01/564395501.db2.gz WEORVFLGNIEFCV-DGCLKSJQSA-N 1 0 377.286 2.766 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)[C@H]1CCCCC[NH2+]1 ZINC000567900229 564395969 /nfs/dbraw/zinc/39/59/69/564395969.db2.gz IXUDKEGWXVWPHL-OAHLLOKOSA-N 1 0 382.302 2.687 20 0 GFADRO COc1ccc(Br)cc1CC(=O)N1CC[N@@H+](C2CC2)C[C@@H](C)C1 ZINC000452175901 564398230 /nfs/dbraw/zinc/39/82/30/564398230.db2.gz URLLQYGDTFXCJY-CYBMUJFWSA-N 1 0 381.314 2.943 20 0 GFADRO C[C@H]1CN(C(=O)[C@@H]2COc3ccc(Br)cc32)CC[N@@H+](C2CC2)C1 ZINC000452173855 564398307 /nfs/dbraw/zinc/39/83/07/564398307.db2.gz ODXLBFQPQJGHTA-MLGOLLRUSA-N 1 0 379.298 2.868 20 0 GFADRO COc1ccc(Br)c(CC(=O)N2CC[N@@H+](C3CC3)C[C@H](C)C2)c1 ZINC000452174198 564398402 /nfs/dbraw/zinc/39/84/02/564398402.db2.gz PBGVTODIDPOXFF-ZDUSSCGKSA-N 1 0 381.314 2.943 20 0 GFADRO C[C@H](Sc1ccccc1C(=O)NC[C@@H](c1ccsc1)[NH+](C)C)C(N)=O ZINC000512346802 564398931 /nfs/dbraw/zinc/39/89/31/564398931.db2.gz IIMYKHZKXREJGJ-WFASDCNBSA-N 1 0 377.535 2.747 20 0 GFADRO COc1ccc(C[NH2+]C2CCN(C(=O)C3CC3)CC2)c(Br)c1O ZINC000544848687 564401961 /nfs/dbraw/zinc/40/19/61/564401961.db2.gz HDRHNTWHRCJIPQ-UHFFFAOYSA-N 1 0 383.286 2.654 20 0 GFADRO COCC[NH2+]C1CCN(C(=O)N[C@@H]2C[C@H]2c2cccc(Br)c2)CC1 ZINC000568052712 564402504 /nfs/dbraw/zinc/40/25/04/564402504.db2.gz GFOUXJKJRDXEGS-DLBZAZTESA-N 1 0 396.329 2.715 20 0 GFADRO COc1c[nH+]ccc1N1CCN(C(=O)Cc2ccc(Br)s2)CC1 ZINC000478440872 564402778 /nfs/dbraw/zinc/40/27/78/564402778.db2.gz CNXXYRHIESIWAS-UHFFFAOYSA-N 1 0 396.310 2.806 20 0 GFADRO C[N@H+](CC(=O)N[C@H](CO)c1ccc(Cl)cc1C(F)(F)F)[C@@H]1CCSC1 ZINC000478495184 564404760 /nfs/dbraw/zinc/40/47/60/564404760.db2.gz WSUSIARBJNOFSK-BXUZGUMPSA-N 1 0 396.862 2.946 20 0 GFADRO C[C@H](C[NH2+]C[C@@H]1CCN(S(=O)(=O)c2cccs2)C1)CC1CCOCC1 ZINC000512552799 564405396 /nfs/dbraw/zinc/40/53/96/564405396.db2.gz UTQYGGLAVJZXSS-RDJZCZTQSA-N 1 0 386.583 2.801 20 0 GFADRO O=C(CCCOc1ccccc1Br)NC[C@H]1CCC[N@H+]1CCCO ZINC000452346725 564406469 /nfs/dbraw/zinc/40/64/69/564406469.db2.gz HFPYRIXZXUSDGU-OAHLLOKOSA-N 1 0 399.329 2.571 20 0 GFADRO CC(C)S(=O)(=O)c1c(Cl)cccc1NC(=O)N(C)CCC[NH+](C)C ZINC000568171447 564407372 /nfs/dbraw/zinc/40/73/72/564407372.db2.gz LNPOHDHYFLAGBR-UHFFFAOYSA-N 1 0 375.922 2.938 20 0 GFADRO C[C@@H](CC(=O)NC[C@@H]1CCC[N@@H+]1CCCO)c1ccc(Br)cc1 ZINC000452359494 564409364 /nfs/dbraw/zinc/40/93/64/564409364.db2.gz HLOYKJQZMXIQJF-YOEHRIQHSA-N 1 0 383.330 2.906 20 0 GFADRO CC1=CC[N@H+](CCNC(=O)c2ccc(F)cc2I)CC1 ZINC000545162325 564409934 /nfs/dbraw/zinc/40/99/34/564409934.db2.gz HVYDTIOWBKNZSA-UHFFFAOYSA-N 1 0 388.224 2.812 20 0 GFADRO [NH3+]C1(C(=O)N2CCC(C(=O)Nc3ccc(Br)cc3)CC2)CCC1 ZINC000568260891 564411273 /nfs/dbraw/zinc/41/12/73/564411273.db2.gz HOCFVUDNHMPFSL-UHFFFAOYSA-N 1 0 380.286 2.508 20 0 GFADRO OCC[C@@H]([NH2+]C1CCN(c2cnccn2)CC1)c1ccccc1Br ZINC000545191955 564412325 /nfs/dbraw/zinc/41/23/25/564412325.db2.gz IGEPNFUSELNBIO-QGZVFWFLSA-N 1 0 391.313 2.921 20 0 GFADRO CS(=O)(=O)N[C@H]1CCCC[C@@H]1C[NH2+]Cc1cscc1Br ZINC000512909456 564416020 /nfs/dbraw/zinc/41/60/20/564416020.db2.gz ZAWNQWGFMGMGMD-MFKMUULPSA-N 1 0 381.361 2.708 20 0 GFADRO O=C(Nc1cccc(C(=O)NCc2c[nH]cn2)c1)c1ccc(Br)o1 ZINC000478841191 564416165 /nfs/dbraw/zinc/41/61/65/564416165.db2.gz UBALXLKBGCKIRE-UHFFFAOYSA-N 1 0 389.209 2.948 20 0 GFADRO C[C@@H]([NH2+]C[C@@H]1CCCCN1S(C)(=O)=O)c1ccc(Br)s1 ZINC000512989376 564416869 /nfs/dbraw/zinc/41/68/69/564416869.db2.gz SWHYZTWBELDOJN-MNOVXSKESA-N 1 0 381.361 2.975 20 0 GFADRO COc1c(Br)cccc1C[NH2+]C[C@@H](N1CCOCC1)C(F)(F)F ZINC000513011722 564418124 /nfs/dbraw/zinc/41/81/24/564418124.db2.gz IPDIRHDGRIBBOJ-CYBMUJFWSA-N 1 0 397.235 2.810 20 0 GFADRO C[C@@H]1CN(C(=O)c2cnn(-c3ccc(Br)cc3)c2)C[C@H](C)N1C ZINC000513046259 564418581 /nfs/dbraw/zinc/41/85/81/564418581.db2.gz JUYDWNSYUIDJLO-BETUJISGSA-N 1 0 377.286 2.799 20 0 GFADRO Cc1ccoc1C[NH2+]CCNS(=O)(=O)c1cc(C)ccc1Br ZINC000513065218 564419110 /nfs/dbraw/zinc/41/91/10/564419110.db2.gz UOAWAPJWSBUKFS-UHFFFAOYSA-N 1 0 387.299 2.727 20 0 GFADRO COc1ccc(CC[NH2+][C@H](C(N)=O)c2cccc(Br)c2)c(OC)c1 ZINC000478961664 564419516 /nfs/dbraw/zinc/41/95/16/564419516.db2.gz PAJRWRATDIVGAK-KRWDZBQOSA-N 1 0 393.281 2.825 20 0 GFADRO Cc1ccc(Br)c(S(=O)(=O)NCC[NH2+]Cc2cccnc2C)c1 ZINC000513105729 564420727 /nfs/dbraw/zinc/42/07/27/564420727.db2.gz ASCLKCOKVBXFFA-UHFFFAOYSA-N 1 0 398.326 2.529 20 0 GFADRO C[C@H](O)C[C@H](C)C[NH2+]C[C@H](O)COc1ccc(Cl)cc1Br ZINC000568512458 564421982 /nfs/dbraw/zinc/42/19/82/564421982.db2.gz QXPUDZAFXKHRCP-GVXVVHGQSA-N 1 0 380.710 2.839 20 0 GFADRO C[C@@H]1[NH2+]CC[C@H]1C(=O)NCc1cc(Br)ccc1Br ZINC000568508900 564422379 /nfs/dbraw/zinc/42/23/79/564422379.db2.gz SEBYMEKCTULRQP-GZMMTYOYSA-N 1 0 376.092 2.826 20 0 GFADRO CN1CCN(Cc2cnc(-c3ccc(Br)cc3)s2)[C@H](C[NH3+])C1 ZINC000568510734 564422386 /nfs/dbraw/zinc/42/23/86/564422386.db2.gz DLNTXPABHSFPFX-CQSZACIVSA-N 1 0 381.343 2.647 20 0 GFADRO CN1CCN(C(=O)CC[NH2+][C@@H]2CCCc3cc(Br)ccc32)CC1 ZINC000479068870 564423867 /nfs/dbraw/zinc/42/38/67/564423867.db2.gz XOLZTVSVXMRVRG-QGZVFWFLSA-N 1 0 380.330 2.580 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(=O)NCCc2c(Cl)cccc2Cl)C1 ZINC000479070652 564424262 /nfs/dbraw/zinc/42/42/62/564424262.db2.gz MVCXQHOAWUOAOV-CHWSQXEVSA-N 1 0 386.323 2.641 20 0 GFADRO CC1(C)CC[C@H](C[NH2+]C[C@H](O)COc2cc(F)cc(Br)c2)O1 ZINC000568621729 564426862 /nfs/dbraw/zinc/42/68/62/564426862.db2.gz FTNBQCOQYKGYJP-UONOGXRCSA-N 1 0 376.266 2.875 20 0 GFADRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2Cc2cn(-c3ccccc3Br)nn2)C1 ZINC000568615357 564426923 /nfs/dbraw/zinc/42/69/23/564426923.db2.gz LHMVQMKPXLZECR-RHSMWYFYSA-N 1 0 390.329 2.946 20 0 GFADRO CC(C)[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000513311283 564426866 /nfs/dbraw/zinc/42/68/66/564426866.db2.gz UHWSCNXTQNYMJJ-BLLLJJGKSA-N 1 0 383.945 2.756 20 0 GFADRO C[C@@H](NC(=O)C(=O)N(C)Cc1ccc(Br)cc1)C(C)(C)C[NH+](C)C ZINC000513486961 564431137 /nfs/dbraw/zinc/43/11/37/564431137.db2.gz YHYMCSTVKOGXJI-CYBMUJFWSA-N 1 0 398.345 2.500 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S(=O)(=O)CC[NH2+]C[C@@H]1CCC[C@H]1C ZINC000568742177 564432604 /nfs/dbraw/zinc/43/26/04/564432604.db2.gz MPYKBJLFJOONQG-CVEARBPZSA-N 1 0 387.567 2.670 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH2+]C[C@@H]1COCCO1 ZINC000513631916 564434840 /nfs/dbraw/zinc/43/48/40/564434840.db2.gz JTXIZFUMPKCYKM-MRXNPFEDSA-N 1 0 380.286 2.757 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000479311876 564435623 /nfs/dbraw/zinc/43/56/23/564435623.db2.gz FIRMFODXNJMIKB-HZPDHXFCSA-N 1 0 394.313 2.693 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)C(=O)NCCC[NH+](CC)CC ZINC000479325800 564436238 /nfs/dbraw/zinc/43/62/38/564436238.db2.gz UDJIBSIBYMHGFO-UHFFFAOYSA-N 1 0 384.318 2.798 20 0 GFADRO C[C@H]1C[N@@H+]2CCC[C@H]2CN1c1nnc(-c2ccc(Br)cc2)n1C ZINC000568815226 564436379 /nfs/dbraw/zinc/43/63/79/564436379.db2.gz NPTPJLAWWVQOEU-WFASDCNBSA-N 1 0 376.302 2.918 20 0 GFADRO C[C@H](CCc1ccsc1)[NH2+]C1CCN(S(=O)(=O)C2CCOCC2)CC1 ZINC000545908627 564436837 /nfs/dbraw/zinc/43/68/37/564436837.db2.gz BRNWBQAJYIMRCM-OAHLLOKOSA-N 1 0 386.583 2.632 20 0 GFADRO Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)[NH2+]CCOCC(F)(F)C(F)F ZINC000479460097 564440674 /nfs/dbraw/zinc/44/06/74/564440674.db2.gz JRNJZOLNHCLMTL-NSHDSACASA-N 1 0 386.411 2.518 20 0 GFADRO COC(=O)c1sc2nc(C)nc(NC[C@]3([NH+](C)C)CCSC3)c2c1C ZINC000479461473 564441681 /nfs/dbraw/zinc/44/16/81/564441681.db2.gz CNMMOMOOHMWENE-QGZVFWFLSA-N 1 0 380.539 2.944 20 0 GFADRO C[NH+](C)C[C@](C)(O)CNC(=O)CCCC(=O)c1ccc(Cl)c(Cl)c1 ZINC000514035498 564444930 /nfs/dbraw/zinc/44/49/30/564444930.db2.gz ZYKDFOQHHMIESX-QGZVFWFLSA-N 1 0 375.296 2.775 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCCCNC1=O)c1ccc(F)c(I)c1 ZINC000453073536 564445839 /nfs/dbraw/zinc/44/58/39/564445839.db2.gz GVICETOBJFYXOP-TVQRCGJNSA-N 1 0 376.213 2.750 20 0 GFADRO C[C@H]([NH2+][C@H]1CC(=O)N(C2CC2)C1)c1ccc(F)c(I)c1 ZINC000453148192 564448482 /nfs/dbraw/zinc/44/84/82/564448482.db2.gz JQBPSURMMBGAPV-ONGXEEELSA-N 1 0 388.224 2.844 20 0 GFADRO CCOC(=O)[C@H](C)[C@@H](C)[NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000514247831 564448717 /nfs/dbraw/zinc/44/87/17/564448717.db2.gz HSIZPBAFHRWADM-JTNHKYCSSA-N 1 0 392.265 2.505 20 0 GFADRO C[C@H]([NH2+]C[C@H](CO)[C@@H]1CCOC1)c1ccc(F)c(I)c1 ZINC000453207832 564449742 /nfs/dbraw/zinc/44/97/42/564449742.db2.gz BMMSVSGPXJYCGA-CYZMBNFOSA-N 1 0 393.240 2.726 20 0 GFADRO CO[C@@]1(C[NH2+][C@@H](C)c2ccc(F)c(I)c2)CCOC1 ZINC000453194339 564450171 /nfs/dbraw/zinc/45/01/71/564450171.db2.gz JEAWSDZHGYRKJD-IINYFYTJSA-N 1 0 379.213 2.886 20 0 GFADRO COc1ccc(Cl)cc1[C@H](CC(C)C)[NH2+]C[C@@]1(O)CCS(=O)(=O)C1 ZINC000453271699 564450810 /nfs/dbraw/zinc/45/08/10/564450810.db2.gz HCPLHXCLEXCUQP-RDJZCZTQSA-N 1 0 375.918 2.575 20 0 GFADRO COc1ccc([C@@H](C)[NH2+]CCn2cc(Br)ccc2=O)cc1OC ZINC000453239829 564450839 /nfs/dbraw/zinc/45/08/39/564450839.db2.gz BTKIQTJHVAGVQA-GFCCVEGCSA-N 1 0 381.270 2.979 20 0 GFADRO COc1ncc(C[NH2+][C@H](C)c2cc(S(N)(=O)=O)c(C)cc2C)cc1Cl ZINC000453287476 564452083 /nfs/dbraw/zinc/45/20/83/564452083.db2.gz IWHNEYZTUVZDJM-GFCCVEGCSA-N 1 0 383.901 2.859 20 0 GFADRO Cc1csc(C[NH2+][C@@H](C)c2cccc(S(=O)(=O)N3CCOCC3)c2)c1 ZINC000453329827 564452694 /nfs/dbraw/zinc/45/26/94/564452694.db2.gz YFKZGKAXMAGIMW-HNNXBMFYSA-N 1 0 380.535 2.928 20 0 GFADRO CC[C@H](Cn1cncn1)[NH2+]C[C@H](CO)Cc1cccc(Br)c1C ZINC000453352206 564454062 /nfs/dbraw/zinc/45/40/62/564454062.db2.gz HHLATQQKIGHHGI-GDBMZVCRSA-N 1 0 381.318 2.568 20 0 GFADRO C[C@H]([NH2+]C[C@@H](CO)Cc1ccc(F)c(Br)c1)c1ccc(=O)[nH]n1 ZINC000453341280 564454231 /nfs/dbraw/zinc/45/42/31/564454231.db2.gz CTTSNUQZAVJISA-JQWIXIFHSA-N 1 0 384.249 2.586 20 0 GFADRO COc1ccc(C[C@H](CO)C[NH2+][C@@H]2CCn3ccnc32)cc1Br ZINC000453360219 564454993 /nfs/dbraw/zinc/45/49/93/564454993.db2.gz JSGVTLKAOIDLMO-DZGCQCFKSA-N 1 0 380.286 2.540 20 0 GFADRO Cc1cc(Br)ccc1C(=O)N1CCC([NH2+][C@@H](C)CN(C)C)CC1 ZINC000569254547 564455533 /nfs/dbraw/zinc/45/55/33/564455533.db2.gz PEKMMSPIPYRLTR-AWEZNQCLSA-N 1 0 382.346 2.902 20 0 GFADRO C[C@H](Cc1ccc(F)cc1Br)[NH2+]CCS(=O)(=O)NC(C)(C)C ZINC000514752078 564456558 /nfs/dbraw/zinc/45/65/58/564456558.db2.gz KBTMZCZHQJXZOO-LLVKDONJSA-N 1 0 395.338 2.827 20 0 GFADRO O=C(NCCc1cc(Br)ccc1F)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000514783879 564457172 /nfs/dbraw/zinc/45/71/72/564457172.db2.gz LYIVOGZERYBNHK-VNHYZAJKSA-N 1 0 384.293 2.818 20 0 GFADRO CC[NH+]1C[C@@H](C)N(C(=O)c2cccc(F)c2I)[C@H](C)C1 ZINC000569286858 564457298 /nfs/dbraw/zinc/45/72/98/564457298.db2.gz LDAFQVYDPKRNSH-GHMZBOCLSA-N 1 0 390.240 2.985 20 0 GFADRO C[C@H](Cc1cc(Br)ccc1F)NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC000569353119 564459841 /nfs/dbraw/zinc/45/98/41/564459841.db2.gz MAWLDTYZSGDVNQ-GFCCVEGCSA-N 1 0 397.292 2.707 20 0 GFADRO C[C@@H](NC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1)c1ncc(Br)cn1 ZINC000514844097 564459822 /nfs/dbraw/zinc/45/98/22/564459822.db2.gz PHZRPEJTKONPTR-HIFRSBDPSA-N 1 0 396.333 2.960 20 0 GFADRO Ic1cnc(NC2CC[NH+](Cc3ccccn3)CC2)nc1 ZINC000546619703 564461901 /nfs/dbraw/zinc/46/19/01/564461901.db2.gz HHCQJNLBORPYNZ-UHFFFAOYSA-N 1 0 395.248 2.553 20 0 GFADRO C[NH+](C)[C@H](CNc1ncc(I)cn1)c1cccc(F)c1 ZINC000546621127 564462341 /nfs/dbraw/zinc/46/23/41/564462341.db2.gz LJNMNOIAAOSUQC-CYBMUJFWSA-N 1 0 386.212 2.935 20 0 GFADRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)[C@@H]3C[C@]34CCc3cc(Br)ccc34)C[C@@H]12 ZINC000514932554 564462791 /nfs/dbraw/zinc/46/27/91/564462791.db2.gz KWSPRWTVSYFUCI-ZFLBDUOESA-N 1 0 375.310 2.849 20 0 GFADRO C[C@H]1C[C@H](NC(=O)C(=O)Nc2cc(Cl)cc(Br)c2)CC[N@@H+]1C ZINC000453663105 564463169 /nfs/dbraw/zinc/46/31/69/564463169.db2.gz TWGASQABQINONX-JOYOIKCWSA-N 1 0 388.693 2.640 20 0 GFADRO Cc1ncc(Br)cc1NC(=O)C(=O)NCCC[NH+](C(C)C)C(C)C ZINC000453665844 564463624 /nfs/dbraw/zinc/46/36/24/564463624.db2.gz HPAOMZFHAAYOBN-UHFFFAOYSA-N 1 0 399.333 2.716 20 0 GFADRO CC(C)C[C@@H](CO)[NH2+][C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000480226128 564465195 /nfs/dbraw/zinc/46/51/95/564465195.db2.gz HCOYCHKJXSDURQ-GXTWGEPZSA-N 1 0 376.316 2.664 20 0 GFADRO C[C@@H](C[NH2+][C@H]1CCS(=O)(=O)c2ccc(Br)cc21)N(C)C1CC1 ZINC000480220650 564465273 /nfs/dbraw/zinc/46/52/73/564465273.db2.gz RXNXFQYCAWAUPI-NHYWBVRUSA-N 1 0 387.343 2.740 20 0 GFADRO C[C@H](O)C[NH+]1CCN(Cc2cc(Br)cc(Br)c2)CC1 ZINC000515018072 564465854 /nfs/dbraw/zinc/46/58/54/564465854.db2.gz GPQZPSLHADYDGQ-NSHDSACASA-N 1 0 392.135 2.710 20 0 GFADRO CC(C)[N@@H+](C)C[C@H](C)NC(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000569517121 564467205 /nfs/dbraw/zinc/46/72/05/564467205.db2.gz PIWANLHHXWEOOT-KBPBESRZSA-N 1 0 396.329 2.647 20 0 GFADRO C[NH+](C)CC(C)(C)CN[C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000480330162 564468895 /nfs/dbraw/zinc/46/88/95/564468895.db2.gz HNDDSDTYTYBSCI-AWEZNQCLSA-N 1 0 389.359 2.845 20 0 GFADRO C[C@@H]([NH2+]CCNS(=O)(=O)c1cccc(Cl)c1Cl)[C@]1(C)CCCO1 ZINC000515076995 564469011 /nfs/dbraw/zinc/46/90/11/564469011.db2.gz CDQYAVJXXPYNAJ-ABAIWWIYSA-N 1 0 381.325 2.819 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)C(=O)N1CC[N@@H+](C2CC2)C[C@H](C)C1 ZINC000453768620 564470288 /nfs/dbraw/zinc/47/02/88/564470288.db2.gz JDFARGCCHOTIFD-LBPRGKRZSA-N 1 0 394.313 2.639 20 0 GFADRO COc1cccc(C[NH2+]CCCNC(=O)c2ccc(Br)cc2)n1 ZINC000480391256 564470906 /nfs/dbraw/zinc/47/09/06/564470906.db2.gz VFKPDMWPHDNYTF-UHFFFAOYSA-N 1 0 378.270 2.762 20 0 GFADRO O[C@H](C[NH2+][C@@H]1CCN(CC(F)(F)F)C1)COc1c(Cl)cccc1Cl ZINC000515234193 564472940 /nfs/dbraw/zinc/47/29/40/564472940.db2.gz BCFOORIWOOOAJJ-GHMZBOCLSA-N 1 0 387.229 2.959 20 0 GFADRO CC(C)OC[C@H](O)C[NH2+]C1CCN(Cc2cccc(Br)c2)CC1 ZINC000515235191 564472972 /nfs/dbraw/zinc/47/29/72/564472972.db2.gz UWISXOUZGAWSKZ-GOSISDBHSA-N 1 0 385.346 2.789 20 0 GFADRO CC[C@H](Cc1ccccc1Br)C(=O)N1CC[C@@H](OC)C[C@@H]1C[NH3+] ZINC000515234031 564472999 /nfs/dbraw/zinc/47/29/99/564472999.db2.gz UGHOBEPDADJVOD-FVQBIDKESA-N 1 0 383.330 2.983 20 0 GFADRO O=S(=O)(c1ccc(Br)cc1)N1CCC[C@@H]([NH2+]Cc2cc[nH]c2)C1 ZINC000480467708 564475233 /nfs/dbraw/zinc/47/52/33/564475233.db2.gz JRKMZKMAUJQQCE-OAHLLOKOSA-N 1 0 398.326 2.720 20 0 GFADRO COCC[NH2+]C1CCN(C(=O)N[C@H](C)c2ccc(Br)cc2)CC1 ZINC000569733324 564476147 /nfs/dbraw/zinc/47/61/47/564476147.db2.gz TWRYFWCWRLNVRA-CYBMUJFWSA-N 1 0 384.318 2.920 20 0 GFADRO Cc1cc(Br)c(S(=O)(=O)N2CC[C@]3(C2)CCC[NH2+]C3)s1 ZINC000569810999 564479212 /nfs/dbraw/zinc/47/92/12/564479212.db2.gz RVTYGYHSKOWJBE-CYBMUJFWSA-N 1 0 379.345 2.583 20 0 GFADRO CC(=O)N1CCN(CC[NH2+][C@@H]2CCCOc3c(Cl)c(Cl)ccc32)CC1 ZINC000480627548 564479809 /nfs/dbraw/zinc/47/98/09/564479809.db2.gz TZYZJYBZISUKHV-MRXNPFEDSA-N 1 0 386.323 2.961 20 0 GFADRO C[N@@H+]1CC[C@@](O)(CNC(=O)N[C@@H](c2ccsc2)c2ccc(Cl)cc2)C1 ZINC000547298312 564483677 /nfs/dbraw/zinc/48/36/77/564483677.db2.gz MJGDLJOOURCKBD-SJLPKXTDSA-N 1 0 379.913 2.857 20 0 GFADRO CCc1n[nH]c(C(=O)N(C)CCC[N@H+](C)Cc2ccco2)c1Br ZINC000515686689 564485571 /nfs/dbraw/zinc/48/55/71/564485571.db2.gz JKZBYDLGOQEIEE-UHFFFAOYSA-N 1 0 383.290 2.922 20 0 GFADRO CC(C)(CNS(=O)(=O)c1ccc(Br)cc1)C[NH+]1CCCC1 ZINC000480760639 564487401 /nfs/dbraw/zinc/48/74/01/564487401.db2.gz RNYNSGRXUOHQKC-UHFFFAOYSA-N 1 0 375.332 2.849 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH+]1CCC2(CCO2)CC1 ZINC000570036642 564488354 /nfs/dbraw/zinc/48/83/54/564488354.db2.gz FSRKVHPQAQWLGX-ZDUSSCGKSA-N 1 0 397.313 2.717 20 0 GFADRO CC[N@H+](CCNc1cnn(-c2ccccn2)c(=O)c1Br)C(C)C ZINC000515862627 564488670 /nfs/dbraw/zinc/48/86/70/564488670.db2.gz UNTVATZVXGYJOS-UHFFFAOYSA-N 1 0 380.290 2.532 20 0 GFADRO CCc1nncn1CC[NH2+]Cc1cc(Br)ccc1OC(F)F ZINC000547468085 564490148 /nfs/dbraw/zinc/49/01/48/564490148.db2.gz WQJAFPFZLLSETJ-UHFFFAOYSA-N 1 0 375.217 2.994 20 0 GFADRO OC[C@H](C[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Cl)Cc1cccnc1 ZINC000570211878 564496005 /nfs/dbraw/zinc/49/60/05/564496005.db2.gz JACKEQNMCDEERC-GOEBONIOSA-N 1 0 385.291 2.569 20 0 GFADRO O=S(=O)(c1ccc(C(F)(F)F)cn1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000480985498 564499114 /nfs/dbraw/zinc/49/91/14/564499114.db2.gz VMQBEVYBQUHTLS-CQSZACIVSA-N 1 0 377.432 2.739 20 0 GFADRO CSc1cc(C(=O)Nc2nc3c(s2)C[C@@H]([NH3+])CC3)ccc1NC(C)=O ZINC000516285621 564499124 /nfs/dbraw/zinc/49/91/24/564499124.db2.gz UXFCTEQEIJIJEA-NSHDSACASA-N 1 0 376.507 2.892 20 0 GFADRO C[C@H]([NH2+]Cc1cc(Cl)cc(S(N)(=O)=O)c1)c1ccc([S@](C)=O)cc1 ZINC000570282566 564500166 /nfs/dbraw/zinc/50/01/66/564500166.db2.gz CDWIZNONDVCVKC-RULNZOCKSA-N 1 0 386.926 2.576 20 0 GFADRO CC[NH+]1CCN(CC(C)(C)NC(=O)Nc2ccc(Br)cc2)CC1 ZINC000454140111 564500620 /nfs/dbraw/zinc/50/06/20/564500620.db2.gz QUNSNBMTWYTSCT-UHFFFAOYSA-N 1 0 383.334 2.987 20 0 GFADRO COC(=O)C[C@@H](C)N1CCN(C(=O)c2nc3cc(Cl)ccc3s2)CC1 ZINC000454216720 564503148 /nfs/dbraw/zinc/50/31/48/564503148.db2.gz HPBDOXONUYNUSA-LLVKDONJSA-N 1 0 381.885 2.659 20 0 GFADRO O=C(NCCOc1ccc(Br)cc1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000570382395 564503404 /nfs/dbraw/zinc/50/34/04/564503404.db2.gz PBBHNQTZODMJLA-OAHLLOKOSA-N 1 0 396.329 2.859 20 0 GFADRO O=C1C[C@]2(CN1)CCC[N@@H+]([C@@H]1CCN(c3ccc(Cl)c(Cl)c3)C1=O)C2 ZINC000481108718 564504021 /nfs/dbraw/zinc/50/40/21/564504021.db2.gz NVRQFRTYXGBDSW-QAPCUYQASA-N 1 0 382.291 2.701 20 0 GFADRO O=C(Cn1cnc2c1CCCC2)N(CCO)Cc1ccc(Br)s1 ZINC000516524971 564504166 /nfs/dbraw/zinc/50/41/66/564504166.db2.gz GPSSVBCAKRADQS-UHFFFAOYSA-N 1 0 398.326 2.607 20 0 GFADRO C[C@@H]([NH2+]C1CC1)C(=O)NCc1cc(Cl)cc(I)c1 ZINC000570449310 564506087 /nfs/dbraw/zinc/50/60/87/564506087.db2.gz WIQYTACFMSZTCU-MRVPVSSYSA-N 1 0 378.641 2.701 20 0 GFADRO Cc1nc(-c2ccc(CNC(=O)NC[C@]3([NH+](C)C)CCSC3)o2)cs1 ZINC000481251474 564507465 /nfs/dbraw/zinc/50/74/65/564507465.db2.gz MOWFEZWXWKQGCB-QGZVFWFLSA-N 1 0 380.539 2.948 20 0 GFADRO Cc1cc(Br)c(S(=O)(=O)NC[C@@]2([NH+](C)C)CCSC2)s1 ZINC000481346403 564509892 /nfs/dbraw/zinc/50/98/92/564509892.db2.gz WALIPXJUEALKOK-LBPRGKRZSA-N 1 0 399.401 2.535 20 0 GFADRO C[N@@H+]1CCCN(C(=O)NC[C@H]2CCN(c3cccc(Br)c3)C2)CC1 ZINC000516707935 564510536 /nfs/dbraw/zinc/51/05/36/564510536.db2.gz IJPUOCJSNWQYHD-OAHLLOKOSA-N 1 0 395.345 2.623 20 0 GFADRO Cc1ncc(C[NH2+]Cc2ccc(Br)cc2N2CCOCC2)n1C ZINC000570528684 564511139 /nfs/dbraw/zinc/51/11/39/564511139.db2.gz IHWKERWQAWODRI-UHFFFAOYSA-N 1 0 379.302 2.617 20 0 GFADRO CCC[N@H+](CC)C[C@H](C)NC(=O)C(=O)Nc1ccc(Br)c(C)c1 ZINC000570560286 564511559 /nfs/dbraw/zinc/51/15/59/564511559.db2.gz XBSQZEPHGCYOKC-ZDUSSCGKSA-N 1 0 384.318 2.933 20 0 GFADRO C[C@H]1[NH2+]CC[C@H]1C(=O)NCc1ccc(I)c(Cl)c1 ZINC000516767936 564511780 /nfs/dbraw/zinc/51/17/80/564511780.db2.gz CDGUTLPAFCBWDG-PSASIEDQSA-N 1 0 378.641 2.559 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1 ZINC000454481643 564512059 /nfs/dbraw/zinc/51/20/59/564512059.db2.gz OHJVXDNSSRAAOI-OKILXGFUSA-N 1 0 384.318 2.985 20 0 GFADRO CC[C@H]([NH2+][C@H]1CCN(S(C)(=O)=O)C1)c1cc(F)cc(Br)c1 ZINC000570575573 564512695 /nfs/dbraw/zinc/51/26/95/564512695.db2.gz WDHVMXPJENAQIO-KBPBESRZSA-N 1 0 379.295 2.663 20 0 GFADRO C[C@H](C[C@H](C)[NH3+])NC(=O)NC[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000570567848 564512999 /nfs/dbraw/zinc/51/29/99/564512999.db2.gz VZUNRLCXPHAQHC-BFHYXJOUSA-N 1 0 383.334 2.700 20 0 GFADRO COc1cc(Br)c(NC(=O)N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)cc1OC ZINC000454567240 564514675 /nfs/dbraw/zinc/51/46/75/564514675.db2.gz MTQIFUPLZXNUOB-GXFFZTMASA-N 1 0 384.274 2.634 20 0 GFADRO Cc1cc(Br)cn2c(C[NH2+][C@@H]3CCN(C(C)(C)C)C3=O)cnc12 ZINC000570631800 564515641 /nfs/dbraw/zinc/51/56/41/564515641.db2.gz PFUWBYSXWLNUND-CQSZACIVSA-N 1 0 379.302 2.894 20 0 GFADRO C[NH+](C)[C@@]1(CNC(=O)N2CCO[C@@H](c3ccc(Cl)cc3)C2)CCSC1 ZINC000454605515 564515923 /nfs/dbraw/zinc/51/59/23/564515923.db2.gz MZONSQOWUSONDC-SJLPKXTDSA-N 1 0 383.945 2.860 20 0 GFADRO O=C(CCc1nc2cc(Cl)ccc2s1)NC[C@@H]1CCC[N@H+]1CCCO ZINC000516908753 564516078 /nfs/dbraw/zinc/51/60/78/564516078.db2.gz AVDNQNULBLSOOU-AWEZNQCLSA-N 1 0 381.929 2.845 20 0 GFADRO C[NH+](C)CCN(Cc1ccc(C(F)(F)F)cc1)S(=O)(=O)c1cscn1 ZINC000516924358 564516745 /nfs/dbraw/zinc/51/67/45/564516745.db2.gz KUFOCOLBMPTUTL-UHFFFAOYSA-N 1 0 393.456 2.914 20 0 GFADRO OC[C@@H](C[NH2+]C[C@H](O)COc1ccccc1)Cc1cccc(Br)c1 ZINC000516927695 564517210 /nfs/dbraw/zinc/51/72/10/564517210.db2.gz WAHAICNMRSJVBP-AEFFLSMTSA-N 1 0 394.309 2.630 20 0 GFADRO Cc1nc(CNC(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)sc1Br ZINC000454709072 564519411 /nfs/dbraw/zinc/51/94/11/564519411.db2.gz GTGQQQUQSLLDJS-GHMZBOCLSA-N 1 0 375.336 2.886 20 0 GFADRO Cc1nc2ccc(S(=O)(=O)N3CC[C@@H](C[N@H+](C)CC4CC4)C3)cc2s1 ZINC000570751331 564520129 /nfs/dbraw/zinc/52/01/29/564520129.db2.gz VSYLOVZMMCNBIL-HNNXBMFYSA-N 1 0 379.551 2.957 20 0 GFADRO O=C(NCCOc1cccc(Br)c1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000517019055 564521242 /nfs/dbraw/zinc/52/12/42/564521242.db2.gz MGIRCPYANIEGHR-OAHLLOKOSA-N 1 0 396.329 2.859 20 0 GFADRO C[NH+](C)C[C@@H]1CCCCN1C(=O)c1ccc(I)c(F)c1 ZINC000517079995 564524187 /nfs/dbraw/zinc/52/41/87/564524187.db2.gz JXXARRODMFJRIQ-LBPRGKRZSA-N 1 0 390.240 2.987 20 0 GFADRO CC[C@H]1C[N@H+](CC)CCN1C(=O)Nc1ccc(NS(C)(=O)=O)c(Cl)c1 ZINC000454845145 564524491 /nfs/dbraw/zinc/52/44/91/564524491.db2.gz CCESCXMNGNAMKE-ZDUSSCGKSA-N 1 0 388.921 2.660 20 0 GFADRO CC[NH2+]CCCNC(=O)C(=O)Nc1ccc(C(F)(F)F)c(Br)c1 ZINC000517093851 564524730 /nfs/dbraw/zinc/52/47/30/564524730.db2.gz LTLLTFMYRPIROP-UHFFFAOYSA-N 1 0 396.207 2.522 20 0 GFADRO CC1(C)C[NH2+]CC[C@@H]1NC(=O)c1c(F)cccc1I ZINC000570913278 564527012 /nfs/dbraw/zinc/52/70/12/564527012.db2.gz RGOYGOKWGROOSQ-NSHDSACASA-N 1 0 376.213 2.548 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(C(=O)Nc3ccc(F)cc3I)C[C@@H]21 ZINC000454921300 564528579 /nfs/dbraw/zinc/52/85/79/564528579.db2.gz IKGVRUMEXJTPMJ-RNCFNFMXSA-N 1 0 389.212 2.598 20 0 GFADRO CC[NH+](CC)CCC[C@H](C)NC(=O)c1ccc(I)cn1 ZINC000454935540 564528600 /nfs/dbraw/zinc/52/86/00/564528600.db2.gz RSNKPELCUXYYLK-LBPRGKRZSA-N 1 0 389.281 2.927 20 0 GFADRO O=S1(=O)C[C@@H](C[NH2+]Cc2ccc(Br)cc2)Oc2ccccc21 ZINC000517369869 564531831 /nfs/dbraw/zinc/53/18/31/564531831.db2.gz AJZMLQXUNPQEJX-CQSZACIVSA-N 1 0 382.279 2.774 20 0 GFADRO CC[NH+]1CCN([C@H](C)CNC(=O)CCCc2ccccc2Br)CC1 ZINC000482154354 564535676 /nfs/dbraw/zinc/53/56/76/564535676.db2.gz WJPZRMHMWBCBDB-MRXNPFEDSA-N 1 0 396.373 2.914 20 0 GFADRO O=C(Nc1ccn(-c2ccc(Cl)cc2Cl)n1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000571146306 564537863 /nfs/dbraw/zinc/53/78/63/564537863.db2.gz IDQSEZJAGBQTJL-SMDDNHRTSA-N 1 0 380.279 3.395 20 0 GFADRO O=C(NCCc1c[nH]c2cccc(Br)c12)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000571184427 564539737 /nfs/dbraw/zinc/53/97/37/564539737.db2.gz YUUMEPHKPZRQTA-OCCSQVGLSA-N 1 0 391.313 2.724 20 0 GFADRO COCc1nc(CNC(=O)C[C@H]2CSCC[NH2+]2)c(-c2ccccc2)s1 ZINC000571196151 564540263 /nfs/dbraw/zinc/54/02/63/564540263.db2.gz GOCBRNIGTWOPDJ-AWEZNQCLSA-N 1 0 377.535 2.668 20 0 GFADRO CC[N@@H+]1CCCC[C@@H]1CNS(=O)(=O)c1cc(Br)ccc1C ZINC000517707437 564540546 /nfs/dbraw/zinc/54/05/46/564540546.db2.gz PWSRJZQOHBYFTF-CQSZACIVSA-N 1 0 375.332 2.910 20 0 GFADRO Cn1cncc1CNS(=O)(=O)c1ccc(Br)c(Cl)c1Cl ZINC000571206166 564540757 /nfs/dbraw/zinc/54/07/57/564540757.db2.gz KCYRSDPGODSXLH-UHFFFAOYSA-N 1 0 399.097 2.968 20 0 GFADRO CCO[C@@H]1C[C@H]([NH2+]Cc2cc(Br)c3c(c2)OCCCO3)[C@H]1OC ZINC000482536096 564544405 /nfs/dbraw/zinc/54/44/05/564544405.db2.gz PGAJCHZYFLPEMX-YSVLISHTSA-N 1 0 386.286 2.892 20 0 GFADRO O=c1ccc(Br)cn1CC[NH2+]Cc1ccc2c(c1)OCCCCO2 ZINC000571373992 564548083 /nfs/dbraw/zinc/54/80/83/564548083.db2.gz KHLQMIJPYFUALZ-UHFFFAOYSA-N 1 0 393.281 2.952 20 0 GFADRO C[NH2+][C@@H](C)C(=O)N1CCN(c2ccc(Br)cc2C(F)(F)F)CC1 ZINC000518215021 564548643 /nfs/dbraw/zinc/54/86/43/564548643.db2.gz JULKNKIWLWJGCI-JTQLQIEISA-N 1 0 394.235 2.724 20 0 GFADRO Cc1cc(NC(=O)N2C[C@@H](C)N(CCO)[C@@H](C)C2)c(F)cc1Br ZINC000455429621 564553354 /nfs/dbraw/zinc/55/33/54/564553354.db2.gz RJAKRQHUEWWZJA-TXEJJXNPSA-N 1 0 388.281 2.815 20 0 GFADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)Nc2ccc(Br)cc2)CC1 ZINC000548478873 564553962 /nfs/dbraw/zinc/55/39/62/564553962.db2.gz JSXBMYHGPAVFQA-UHFFFAOYSA-N 1 0 397.317 2.513 20 0 GFADRO C[C@@H]1CCN(CC[NH2+][C@@H]2CCS(=O)(=O)c3ccc(Br)cc32)C1 ZINC000548483234 564554045 /nfs/dbraw/zinc/55/40/45/564554045.db2.gz IJFBWPSZUBHNKN-IUODEOHRSA-N 1 0 387.343 2.599 20 0 GFADRO C[C@@H]([NH3+])[C@H](C)NC(=O)Cc1ccc(NC(=O)c2ccc(Br)o2)cc1 ZINC000571561453 564556735 /nfs/dbraw/zinc/55/67/35/564556735.db2.gz YPQIRRGWWGCBHN-MNOVXSKESA-N 1 0 394.269 2.689 20 0 GFADRO COCCN(Cc1cc(Br)cs1)C(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000571557860 564556744 /nfs/dbraw/zinc/55/67/44/564556744.db2.gz LCQOMFUQGFICPK-WDEREUQCSA-N 1 0 378.336 2.794 20 0 GFADRO Cn1cc(C(C)(C)[NH2+][C@H]2CCN(c3cccc(Br)c3)C2=O)cn1 ZINC000571600562 564558167 /nfs/dbraw/zinc/55/81/67/564558167.db2.gz LWTQNUVXCKZMNC-HNNXBMFYSA-N 1 0 377.286 2.813 20 0 GFADRO COc1cc2c(c(C[NH2+]CCn3cc(Br)ccc3=O)c1)O[C@@H](C)C2 ZINC000518688271 564559714 /nfs/dbraw/zinc/55/97/14/564559714.db2.gz XLESDNOSTMWTPA-LBPRGKRZSA-N 1 0 393.281 2.733 20 0 GFADRO C[C@@H]1CN([C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C[C@@]2(CCOC2)O1 ZINC000483173874 564560034 /nfs/dbraw/zinc/56/00/34/564560034.db2.gz IONGUQMTHBUHRP-XHBKTUGNSA-N 1 0 385.291 2.979 20 0 GFADRO C[NH+](C)CCOC1CCN(C(=O)C(=O)Nc2ccc(Cl)cc2Cl)CC1 ZINC000483225469 564560909 /nfs/dbraw/zinc/56/09/09/564560909.db2.gz WAAXGFTWLUAMHG-UHFFFAOYSA-N 1 0 388.295 2.501 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)CCC[N@@H+]1CC[C@@](C)(C(N)=O)C1 ZINC000483270599 564562884 /nfs/dbraw/zinc/56/28/84/564562884.db2.gz LDSMXHMEHYVCOT-GOSISDBHSA-N 1 0 396.329 2.982 20 0 GFADRO C[NH+](C)CCOC1CCN(C(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000483276145 564563010 /nfs/dbraw/zinc/56/30/10/564563010.db2.gz LLNCLDHZYGYPLK-UHFFFAOYSA-N 1 0 388.295 2.501 20 0 GFADRO C[C@H](Cc1cccc(Br)c1)NC(=O)Nc1ccnn1CC[NH+](C)C ZINC000455668606 564563707 /nfs/dbraw/zinc/56/37/07/564563707.db2.gz LQRYWROWSIJJDV-CYBMUJFWSA-N 1 0 394.317 2.960 20 0 GFADRO CS[C@H]1CN(C(=O)Cc2csc(-c3ccoc3)n2)C[C@H]1[NH+]1CCCC1 ZINC000483395125 564566292 /nfs/dbraw/zinc/56/62/92/564566292.db2.gz OOCKSOPEYAPJMN-CVEARBPZSA-N 1 0 377.535 2.984 20 0 GFADRO C[C@H]1C[C@H](C)C[NH+](CCCCNS(=O)(=O)c2cccc3nsnc32)C1 ZINC000519002242 564567800 /nfs/dbraw/zinc/56/78/00/564567800.db2.gz SZAPBVYIJUKJNE-KBPBESRZSA-N 1 0 382.555 2.728 20 0 GFADRO O=c1cc(C[N@@H+]2CCC[C@H](OCC3CC3)C2)nc2ccc(Br)cn12 ZINC000548626482 564568211 /nfs/dbraw/zinc/56/82/11/564568211.db2.gz NSCFRLNNGLJKOC-INIZCTEOSA-N 1 0 392.297 2.848 20 0 GFADRO CC(C)(C)NS(=O)(=O)CC[NH2+][C@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000548640147 564568619 /nfs/dbraw/zinc/56/86/19/564568619.db2.gz SCFTZSZQQTVGFH-ZDUSSCGKSA-N 1 0 379.448 2.785 20 0 GFADRO Cc1ncc(Br)cc1NC(=O)NCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000455825727 564573366 /nfs/dbraw/zinc/57/33/66/564573366.db2.gz BUUOMLVGGWWQQL-RYUDHWBXSA-N 1 0 385.306 2.773 20 0 GFADRO C[C@H](CNC(=O)NC[C@H](C)Oc1ccccc1Br)[N@H+](C)C1CC1 ZINC000483728008 564573542 /nfs/dbraw/zinc/57/35/42/564573542.db2.gz OPBNWXBIICTWSM-OLZOCXBDSA-N 1 0 384.318 2.998 20 0 GFADRO CO[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1cccc(I)c1 ZINC000483721336 564573811 /nfs/dbraw/zinc/57/38/11/564573811.db2.gz HGDFZCVSFQLGKP-UONOGXRCSA-N 1 0 388.249 2.777 20 0 GFADRO C[C@H](CNC(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1)Oc1ccccc1Br ZINC000483791496 564574804 /nfs/dbraw/zinc/57/48/04/564574804.db2.gz SXWCEQHXDJWRIG-MCIONIFRSA-N 1 0 384.318 2.998 20 0 GFADRO CN(C)c1cc(NC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)ncc1Br ZINC000455859601 564575991 /nfs/dbraw/zinc/57/59/91/564575991.db2.gz CZCQJGKODKGESO-CYBMUJFWSA-N 1 0 396.333 2.860 20 0 GFADRO CC[C@@H]1C[C@H]([NH2+]C[C@@H](O)COc2cc(F)cc(Br)c2)CCO1 ZINC000571994510 564576500 /nfs/dbraw/zinc/57/65/00/564576500.db2.gz UXVAVWMLOMAGRZ-RBSFLKMASA-N 1 0 376.266 2.875 20 0 GFADRO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)CCc1nc2cc(Cl)ccc2s1 ZINC000572011407 564577477 /nfs/dbraw/zinc/57/74/77/564577477.db2.gz BDWYSYARUZRWNT-STQMWFEESA-N 1 0 381.929 2.796 20 0 GFADRO O=C(NCC[N@@H+]1CCCOCC1)Nc1cccc2c(Br)ccnc12 ZINC000455889257 564578530 /nfs/dbraw/zinc/57/85/30/564578530.db2.gz DVGYXQDGJCPBHQ-UHFFFAOYSA-N 1 0 393.285 2.841 20 0 GFADRO C[NH+](C)C[C@@H]1CN(C(=O)Nc2cccc3c(Br)ccnc23)CCO1 ZINC000455898018 564579681 /nfs/dbraw/zinc/57/96/81/564579681.db2.gz MGXGGWRMTVXUBR-GFCCVEGCSA-N 1 0 393.285 2.792 20 0 GFADRO C[C@H](CNC(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1)Oc1cccc(Br)c1 ZINC000519530304 564580146 /nfs/dbraw/zinc/58/01/46/564580146.db2.gz NNTFQYOQINFBQU-IOASZLSFSA-N 1 0 382.302 2.610 20 0 GFADRO CN(Cc1ccc(F)cc1Br)C(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000519548339 564580737 /nfs/dbraw/zinc/58/07/37/564580737.db2.gz XMTQLWDHEVJERC-SNVBAGLBSA-N 1 0 381.249 2.660 20 0 GFADRO O=C1NCC[C@H]1CC[N@H+]1CCC[C@H]1c1ccccc1I ZINC000572131525 564582432 /nfs/dbraw/zinc/58/24/32/564582432.db2.gz FWSJGCLOLALEKS-WFASDCNBSA-N 1 0 384.261 2.954 20 0 GFADRO O[C@H](C[NH2+]C[C@H](O)Cc1ccccc1)COc1cc(F)cc(Br)c1 ZINC000572121251 564582665 /nfs/dbraw/zinc/58/26/65/564582665.db2.gz MHKNSYPWAXMJJN-IAGOWNOFSA-N 1 0 398.272 2.521 20 0 GFADRO COCC[NH+]1CCC(NC(=O)c2ccc(Br)c3c2OCCC3)CC1 ZINC000519610298 564583233 /nfs/dbraw/zinc/58/32/33/564583233.db2.gz NFKWPFTWMSEJDF-UHFFFAOYSA-N 1 0 397.313 2.615 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]1C1CCN(S(=O)(=O)c2cc(Cl)sc2Cl)CC1 ZINC000572158314 564583514 /nfs/dbraw/zinc/58/35/14/564583514.db2.gz KREASYAXDYVOEW-SKDRFNHKSA-N 1 0 385.338 2.572 20 0 GFADRO O=C(NC[C@H]1CCC[N@H+](Cc2cccs2)C1)C1CN(CC(F)(F)F)C1 ZINC000484267797 564585141 /nfs/dbraw/zinc/58/51/41/564585141.db2.gz LJFBPKJHNOKLBH-CYBMUJFWSA-N 1 0 375.460 2.570 20 0 GFADRO O=C(Nc1cc(Cl)cc(Cl)c1)N1CC[NH+]([C@@H]2CCNC(=O)CC2)CC1 ZINC000572216256 564585181 /nfs/dbraw/zinc/58/51/81/564585181.db2.gz LADCZZKLROTUAL-HNNXBMFYSA-N 1 0 385.295 2.812 20 0 GFADRO CC(C)[N@H+](CCOCCO)CC(=O)N[C@@H](C)c1ccc(Cl)cc1Cl ZINC000549079284 564585239 /nfs/dbraw/zinc/58/52/39/564585239.db2.gz GPRVMVMZAFYZIY-ZDUSSCGKSA-N 1 0 377.312 2.890 20 0 GFADRO CC(C)c1n[nH]c(C(=O)N2CCc3ccccc3[C@H]2C[NH3+])c1Br ZINC000519714482 564588096 /nfs/dbraw/zinc/58/80/96/564588096.db2.gz ZNXSHPJFMKHQKI-CYBMUJFWSA-N 1 0 377.286 2.994 20 0 GFADRO O[C@@H](C[NH2+][C@@H]1CCCOc2ccc(I)cc21)C(F)F ZINC000484489871 564589587 /nfs/dbraw/zinc/58/95/87/564589587.db2.gz PLYBEZXMDSOGBD-MNOVXSKESA-N 1 0 383.176 2.721 20 0 GFADRO O=S(=O)(c1csc(-c2ccccc2)n1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000519773655 564590087 /nfs/dbraw/zinc/59/00/87/564590087.db2.gz PKUXPTRIBUSSGO-INIZCTEOSA-N 1 0 377.535 2.820 20 0 GFADRO COCC[C@@H](Cc1cccc(Br)c1)C(=O)NC[C@@H](C)C[NH+](C)C ZINC000572370805 564592465 /nfs/dbraw/zinc/59/24/65/564592465.db2.gz ALZSBAAZZDSWAD-ZBFHGGJFSA-N 1 0 385.346 2.958 20 0 GFADRO C[N@H+](CCC(=O)N1CCOCC1)Cc1ccc(Br)cc1Cl ZINC000484657375 564594493 /nfs/dbraw/zinc/59/44/93/564594493.db2.gz VPWDPABSDQIKOE-UHFFFAOYSA-N 1 0 375.694 2.783 20 0 GFADRO Cc1ccc(CCC[NH2+]CCNS(=O)(=O)c2ccc(F)cc2Cl)cn1 ZINC000549422871 564595224 /nfs/dbraw/zinc/59/52/24/564595224.db2.gz QHEFHNDEPWLLLG-UHFFFAOYSA-N 1 0 385.892 2.683 20 0 GFADRO O=C(C[C@@H]1CSCC[NH2+]1)N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000520396818 564603411 /nfs/dbraw/zinc/60/34/11/564603411.db2.gz NCEPULGAKGPFGU-WDEREUQCSA-N 1 0 379.473 2.963 20 0 GFADRO COc1cc(Br)c(CN2C[C@@H](SC)[C@H]([NH+](C)C)C2)cc1OC ZINC000520441982 564604713 /nfs/dbraw/zinc/60/47/13/564604713.db2.gz GCNZOBDDAQQXSZ-CZUORRHYSA-N 1 0 389.359 2.944 20 0 GFADRO O=C(NCCc1nc(C(F)(F)F)cs1)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000572705461 564606108 /nfs/dbraw/zinc/60/61/08/564606108.db2.gz JFJPVHVNDYTWGL-VXGBXAGGSA-N 1 0 376.448 2.736 20 0 GFADRO Cc1cc(NC(=O)C[N@@H+]2C[C@H](O)C[C@@H]2[C@H]2CCCOC2)ccc1Br ZINC000520508083 564606336 /nfs/dbraw/zinc/60/63/36/564606336.db2.gz JRLYJZNQIVGJFV-YSVLISHTSA-N 1 0 397.313 2.558 20 0 GFADRO [NH3+][C@@H]1CCc2ncc(NC(=O)Cc3ccc(F)c(Br)c3)cc2C1 ZINC000520566535 564607248 /nfs/dbraw/zinc/60/72/48/564607248.db2.gz HEERARHSVAELHV-GFCCVEGCSA-N 1 0 378.245 2.980 20 0 GFADRO Cc1sc2nc(CS[C@@H](C)C(=O)N(C)C3CC([NH3+])C3)[nH]c(=O)c2c1C ZINC000572720181 564607272 /nfs/dbraw/zinc/60/72/72/564607272.db2.gz ITVNAAFOKNFYAI-UNXYVOJBSA-N 1 0 380.539 2.584 20 0 GFADRO C[N@@H+]1CCC[C@@]2(CCN(S(=O)(=O)c3ccc(F)c(C(F)(F)F)c3)C2)C1 ZINC000549898284 564607869 /nfs/dbraw/zinc/60/78/69/564607869.db2.gz BRPLUAJXBIKKKM-OAHLLOKOSA-N 1 0 380.407 2.951 20 0 GFADRO C[C@@H](CC[NH+](C)C)NC(=O)N1CCN(Cc2ccc(Br)cc2)CC1 ZINC000485157875 564608547 /nfs/dbraw/zinc/60/85/47/564608547.db2.gz GPLPZNPTKVRYTM-HNNXBMFYSA-N 1 0 397.361 2.617 20 0 GFADRO COc1cc(Br)ccc1C[NH2+]Cc1ccnc(N2CCOCC2)c1 ZINC000572750061 564609281 /nfs/dbraw/zinc/60/92/81/564609281.db2.gz ACXSHXHRDSWYSU-UHFFFAOYSA-N 1 0 392.297 2.979 20 0 GFADRO O=S(=O)(Cc1ccc(Cl)cc1Br)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000572761931 564609392 /nfs/dbraw/zinc/60/93/92/564609392.db2.gz NADBSZZGINGDGS-AWEZNQCLSA-N 1 0 393.734 2.618 20 0 GFADRO C[C@@H](CNC(=O)N[C@@H](C)c1ncc(Br)cn1)[N@@H+]1CCCC[C@H]1C ZINC000572819420 564612158 /nfs/dbraw/zinc/61/21/58/564612158.db2.gz YLKUTJUQLGOPOY-AGIUHOORSA-N 1 0 384.322 2.862 20 0 GFADRO CCS[C@@H]1CCCCN(C(=O)C(=O)NC[C@@H](c2cccs2)[NH+](C)C)C1 ZINC000549999915 564612659 /nfs/dbraw/zinc/61/26/59/564612659.db2.gz CFJLRHPIHBUPQJ-CABCVRRESA-N 1 0 383.583 2.601 20 0 GFADRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)C(=O)Nc1ccc(Br)cc1 ZINC000520789038 564612764 /nfs/dbraw/zinc/61/27/64/564612764.db2.gz MHQPACRAOLCNMO-BETUJISGSA-N 1 0 382.302 2.767 20 0 GFADRO [NH3+]CC[C@@H]1CCCCN1C(=O)c1n[nH]c2ccc(I)cc21 ZINC000520815759 564614032 /nfs/dbraw/zinc/61/40/32/564614032.db2.gz YOVMVJSEUYBSGL-NSHDSACASA-N 1 0 398.248 2.511 20 0 GFADRO C[C@@H](C(=O)N(CCn1ccnc1)Cc1ccccc1Br)C1C[NH2+]C1 ZINC000572876530 564614073 /nfs/dbraw/zinc/61/40/73/564614073.db2.gz KJWDKKSBTJIVNY-CQSZACIVSA-N 1 0 391.313 2.530 20 0 GFADRO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)NCCC[NH+]1CCCCC1 ZINC000550140837 564615037 /nfs/dbraw/zinc/61/50/37/564615037.db2.gz XMTLLNSFIMDPHB-UHFFFAOYSA-N 1 0 386.323 2.944 20 0 GFADRO O=C(NCC1=CC[NH2+]CC1)Nc1ccnn1Cc1cccc(Br)c1 ZINC000521000388 564617683 /nfs/dbraw/zinc/61/76/83/564617683.db2.gz AAXSEZAKTJKZPN-UHFFFAOYSA-N 1 0 390.285 2.735 20 0 GFADRO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)[C@H]1CC(=O)Nc2ccc(Br)cc21 ZINC000485506291 564617708 /nfs/dbraw/zinc/61/77/08/564617708.db2.gz OOHVDYAJAVBVAZ-GOEBONIOSA-N 1 0 394.313 2.674 20 0 GFADRO Cc1ccc(NCCC[NH2+]C[C@@H](O)COc2c(Cl)cccc2Cl)nc1 ZINC000572992371 564617941 /nfs/dbraw/zinc/61/79/41/564617941.db2.gz HXJFJWGNFOGFCB-CQSZACIVSA-N 1 0 384.307 3.528 20 0 GFADRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C(=O)NCc2ccc(Cl)cc2Cl)C1 ZINC000572989333 564617958 /nfs/dbraw/zinc/61/79/58/564617958.db2.gz JAMBTXHFQRTLLJ-ZDUSSCGKSA-N 1 0 386.323 2.704 20 0 GFADRO COC[C@H](C)OC[C@@H](O)C[NH2+]CCc1ccc(Br)cc1Cl ZINC000572992832 564618242 /nfs/dbraw/zinc/61/82/42/564618242.db2.gz BHIYJUGMRCPPTQ-FZMZJTMJSA-N 1 0 380.710 2.647 20 0 GFADRO COc1ccc(COC[C@@H](O)C[NH2+]Cc2ccc(O)c(Br)c2)cc1 ZINC000572993115 564618463 /nfs/dbraw/zinc/61/84/63/564618463.db2.gz OEGOLGVKLIJCPN-HNNXBMFYSA-N 1 0 396.281 2.831 20 0 GFADRO CN(c1nnc(-c2cccc(Br)c2)n1C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000573019765 564619985 /nfs/dbraw/zinc/61/99/85/564619985.db2.gz KKHBRPSQMJZPFM-OAHLLOKOSA-N 1 0 376.302 2.918 20 0 GFADRO O=C(C[N@H+]1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O)Nc1ccc(Br)cn1 ZINC000573060096 564620761 /nfs/dbraw/zinc/62/07/61/564620761.db2.gz NLKSEJAYYMXSPO-ZNMIVQPWSA-N 1 0 382.302 2.798 20 0 GFADRO CC(C)[NH2+]CCCNC(=O)NCCNc1ncc(C(F)(F)F)cc1Cl ZINC000573095270 564622425 /nfs/dbraw/zinc/62/24/25/564622425.db2.gz IDVIURSGFNCNBN-UHFFFAOYSA-N 1 0 381.830 2.853 20 0 GFADRO O=S1(=O)CCC[C@@H](C[NH2+]C2(Cc3ccc(F)cc3Cl)CCOCC2)C1 ZINC000550405580 564623471 /nfs/dbraw/zinc/62/34/71/564623471.db2.gz UYVPTBUFEANNPX-AWEZNQCLSA-N 1 0 389.920 2.985 20 0 GFADRO CC(C)[C@]1(CO)CCC[N@H+](Cc2cc(=O)n3cc(Br)ccc3n2)C1 ZINC000550433964 564624110 /nfs/dbraw/zinc/62/41/10/564624110.db2.gz ZSXOMJPIVMJXSU-GOSISDBHSA-N 1 0 394.313 2.688 20 0 GFADRO CC(C)[C@H]([NH2+]C[C@H](O)COc1ccc(Br)cc1)C1(CO)CCC1 ZINC000550461618 564624963 /nfs/dbraw/zinc/62/49/63/564624963.db2.gz PFUQWHBVLYXZGM-RDJZCZTQSA-N 1 0 386.330 2.966 20 0 GFADRO Cc1c(Br)cccc1C[C@@H](CO)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000456706313 564625526 /nfs/dbraw/zinc/62/55/26/564625526.db2.gz BOSWXNDGUBDERO-LXZKKBNFSA-N 1 0 397.357 2.755 20 0 GFADRO O=C(NCCCc1ccc(Br)cc1F)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000485775269 564625494 /nfs/dbraw/zinc/62/54/94/564625494.db2.gz LAFZHEODNFPHKZ-GFCCVEGCSA-N 1 0 395.276 2.751 20 0 GFADRO OC[C@@]1([C@@H]([NH2+]Cc2ccc(I)cc2)C2CC2)CCCO1 ZINC000550502514 564625935 /nfs/dbraw/zinc/62/59/35/564625935.db2.gz JVYVPXJQRFCSBM-JKSUJKDBSA-N 1 0 387.261 2.701 20 0 GFADRO CC(C)(CC[NH2+]C[C@H](O)COc1ccc(Cl)cc1Cl)S(C)(=O)=O ZINC000521426766 564626383 /nfs/dbraw/zinc/62/63/83/564626383.db2.gz OOUJPMHAXCXGKG-LBPRGKRZSA-N 1 0 384.325 2.536 20 0 GFADRO C[C@H](Cc1ccc(F)c(Br)c1)NC(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000485794722 564626464 /nfs/dbraw/zinc/62/64/64/564626464.db2.gz YRDIJFKYKCKRGU-ZYHUDNBSSA-N 1 0 395.276 2.749 20 0 GFADRO Cc1cc(Br)cn2cc(CNC(=O)N3CCC(CC[NH3+])CC3)nc12 ZINC000573257875 564629977 /nfs/dbraw/zinc/62/99/77/564629977.db2.gz OOKSGPSULJCQKH-UHFFFAOYSA-N 1 0 394.317 2.676 20 0 GFADRO COCC[N@@H+]1CC[C@H](NC(=O)[C@H](Oc2ccccc2Br)C(C)C)C1 ZINC000521676954 564633978 /nfs/dbraw/zinc/63/39/78/564633978.db2.gz JROXXJQSXVJHJS-WMLDXEAASA-N 1 0 399.329 2.689 20 0 GFADRO CCC(=O)N1CCCN(Cc2ccc(F)cc2I)CC1 ZINC000573345274 564634014 /nfs/dbraw/zinc/63/40/14/564634014.db2.gz DZMQJUAMFYOSOY-UHFFFAOYSA-N 1 0 390.240 2.875 20 0 GFADRO C[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000521676994 564634193 /nfs/dbraw/zinc/63/41/93/564634193.db2.gz FSWMGZPHFPECCA-BLLLJJGKSA-N 1 0 386.323 2.628 20 0 GFADRO COC1CC[NH+](C(C)(C)CNC(=O)c2[nH]nc(C3CC3)c2Br)CC1 ZINC000521684453 564634257 /nfs/dbraw/zinc/63/42/57/564634257.db2.gz YIRPCZFCAYNUBV-UHFFFAOYSA-N 1 0 399.333 2.669 20 0 GFADRO CS(=O)(=O)C[C@H]([NH2+]CCNc1ncc(C(F)(F)F)cc1Cl)C1CC1 ZINC000551063461 564637288 /nfs/dbraw/zinc/63/72/88/564637288.db2.gz QEZILWINBIOBRF-LBPRGKRZSA-N 1 0 385.839 2.579 20 0 GFADRO CC[NH+]1CCN(CC(C)(C)NC(=O)Cc2sccc2Br)CC1 ZINC000456890147 564638029 /nfs/dbraw/zinc/63/80/29/564638029.db2.gz ZGQPFGNSIJZYHE-UHFFFAOYSA-N 1 0 388.375 2.585 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C(=O)N[C@H](CC[NH3+])C(F)F ZINC000522000071 564641781 /nfs/dbraw/zinc/64/17/81/564641781.db2.gz HGRGKSZWHPNDIW-CYBMUJFWSA-N 1 0 387.228 2.656 20 0 GFADRO CCC(C)(C)[NH2+][C@H](C)C(=O)Nc1cc(N2CCOCC2)c(Br)cn1 ZINC000456981613 564641981 /nfs/dbraw/zinc/64/19/81/564641981.db2.gz NRESKGNZCAAZGD-GFCCVEGCSA-N 1 0 399.333 2.786 20 0 GFADRO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)Nc1ccnn1Cc1ccc(Br)cc1 ZINC000486205191 564643650 /nfs/dbraw/zinc/64/36/50/564643650.db2.gz RLYWMDXKBDWJRF-IUODEOHRSA-N 1 0 377.286 2.830 20 0 GFADRO C[NH+](C)C[C@H]1CCCN1C(=O)c1c(O)cnc2c(Br)cccc21 ZINC000486209021 564643678 /nfs/dbraw/zinc/64/36/78/564643678.db2.gz AZNHWBBDVIBPRH-LLVKDONJSA-N 1 0 378.270 2.869 20 0 GFADRO CC(C)[N@@H+]1CCCN(C(=O)NCCOc2ccc(Br)cc2)CC1 ZINC000551245636 564643964 /nfs/dbraw/zinc/64/39/64/564643964.db2.gz ZSELSKJFJHTRBN-UHFFFAOYSA-N 1 0 384.318 2.954 20 0 GFADRO CC(C)(C[NH+]1CCCC1)NC(=O)Cc1cccc(I)c1 ZINC000457049528 564644093 /nfs/dbraw/zinc/64/40/93/564644093.db2.gz KAKLEFJQTNCIQT-UHFFFAOYSA-N 1 0 386.277 2.824 20 0 GFADRO CC(C)(C[NH+]1CCCC1)NC(=O)Cc1ccccc1I ZINC000457061767 564645029 /nfs/dbraw/zinc/64/50/29/564645029.db2.gz ZGQWIPCCJNUDBX-UHFFFAOYSA-N 1 0 386.277 2.824 20 0 GFADRO O=C(N[C@@H]1CCN(c2ccc(Br)cc2)C1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000522287218 564649083 /nfs/dbraw/zinc/64/90/83/564649083.db2.gz KRRCHBPJZWDFJJ-HUUCEWRRSA-N 1 0 393.329 2.564 20 0 GFADRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(F)ccc2I)C1 ZINC000457132348 564649696 /nfs/dbraw/zinc/64/96/96/564649696.db2.gz URSAVVUNWYAKRE-GFCCVEGCSA-N 1 0 390.240 2.985 20 0 GFADRO Cn1ccnc1[C@H]([NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1)C1CC1 ZINC000573714193 564650419 /nfs/dbraw/zinc/65/04/19/564650419.db2.gz OJEGRMQKOUHDFV-GDBMZVCRSA-N 1 0 398.276 2.802 20 0 GFADRO O=C(NCc1n[nH]cc1Br)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000522563808 564652751 /nfs/dbraw/zinc/65/27/51/564652751.db2.gz MFTHWYFUTXHOMC-CYBMUJFWSA-N 1 0 395.276 2.840 20 0 GFADRO CCCc1ccc(Cl)c(S(=O)(=O)NC[C@@H](C)N2CC[NH+](CC)CC2)c1 ZINC000551518905 564653037 /nfs/dbraw/zinc/65/30/37/564653037.db2.gz LBDOMGOTCQPCFM-OAHLLOKOSA-N 1 0 387.977 2.597 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)Nc2nc3ccsc3s2)CC1=O ZINC000522732538 564655849 /nfs/dbraw/zinc/65/58/49/564655849.db2.gz OJCIPWGTCXWTAN-NWDGAFQWSA-N 1 0 378.523 2.629 20 0 GFADRO Ic1cccc(OCCC[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000573920308 564659624 /nfs/dbraw/zinc/65/96/24/564659624.db2.gz KRLVUFNYGVXXAE-ZIAGYGMSSA-N 1 0 386.277 2.601 20 0 GFADRO O[C@H]([C@H]1CCC[N@H+]1C[C@H](O)COc1ccc(Br)cc1)C(F)(F)F ZINC000523017216 564661226 /nfs/dbraw/zinc/66/12/26/564661226.db2.gz BYZKTTPTUQKGAP-IACUBPJLSA-N 1 0 398.219 2.576 20 0 GFADRO CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@H](CCOC)c1ccc(Cl)c(Cl)c1 ZINC000551723846 564661413 /nfs/dbraw/zinc/66/14/13/564661413.db2.gz SNQVOECEKMLTPX-QMTHXVAHSA-N 1 0 376.284 2.895 20 0 GFADRO CN1CCN(c2cc[nH+]cc2NC(=O)Cc2cccc(Br)c2)CC1 ZINC000522990480 564661523 /nfs/dbraw/zinc/66/15/23/564661523.db2.gz IFVNSSGWBBFOKH-UHFFFAOYSA-N 1 0 389.297 2.777 20 0 GFADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)c3sc(C)cc3Br)C2)CC1 ZINC000457532855 564664447 /nfs/dbraw/zinc/66/44/47/564664447.db2.gz AJKXQVHQSNZCGV-CYBMUJFWSA-N 1 0 386.359 2.671 20 0 GFADRO COC(=O)c1c(Br)ccc(NC(=O)NC[C@H]2CCC[N@@H+]2C)c1C ZINC000486741195 564664700 /nfs/dbraw/zinc/66/47/00/564664700.db2.gz XTXNXPAKGSVZTC-LLVKDONJSA-N 1 0 384.274 2.760 20 0 GFADRO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCCCOc1ncc(C(F)(F)F)cc1Cl ZINC000486794047 564666514 /nfs/dbraw/zinc/66/65/14/564666514.db2.gz LDBYZTVMVAEDAY-PWSUYJOCSA-N 1 0 379.810 2.837 20 0 GFADRO COCC[N@@H+]1CC[C@@H](NC(=O)N(Cc2cccc(Br)c2)C2CC2)C1 ZINC000523429204 564667226 /nfs/dbraw/zinc/66/72/26/564667226.db2.gz NVFZTNKTFRJQHB-MRXNPFEDSA-N 1 0 396.329 2.844 20 0 GFADRO Cc1cccc(Br)c1C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000574093804 564668194 /nfs/dbraw/zinc/66/81/94/564668194.db2.gz RUFSFZLNNJTDSE-OAHLLOKOSA-N 1 0 381.314 2.942 20 0 GFADRO C[C@H](NC(=O)NC[C@H]1CCCC[N@@H+]1CCO)c1cccc(Br)c1 ZINC000457690915 564669208 /nfs/dbraw/zinc/66/92/08/564669208.db2.gz XPCQPPRPPRCZBV-XJKSGUPXSA-N 1 0 384.318 2.656 20 0 GFADRO C[C@@H]1CCC[N@H+](CCNC(=O)NCc2nc3c(cccc3Br)[nH]2)C1 ZINC000457690168 564669245 /nfs/dbraw/zinc/66/92/45/564669245.db2.gz LCVRJLTUXVOWJL-GFCCVEGCSA-N 1 0 394.317 2.857 20 0 GFADRO C[C@H](Oc1cc(Cl)cc(Cl)c1)C(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000523871087 564673388 /nfs/dbraw/zinc/67/33/88/564673388.db2.gz SJAHDCZZTJQVFF-XJKSGUPXSA-N 1 0 389.323 2.970 20 0 GFADRO CNS(=O)(=O)CCC[N@H+](CCOC)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000523857980 564673924 /nfs/dbraw/zinc/67/39/24/564673924.db2.gz MPDREQWNWHALBZ-ZDUSSCGKSA-N 1 0 382.448 2.654 20 0 GFADRO CCC[C@@H](C)C(=O)NCC[NH2+]Cc1cc(Br)c2c(c1)OCCO2 ZINC000552071479 564675202 /nfs/dbraw/zinc/67/52/02/564675202.db2.gz IQCJHGRJWGYUAD-GFCCVEGCSA-N 1 0 385.302 2.862 20 0 GFADRO Cc1ccc(CCC[NH2+]C[C@H]2CCN(S(=O)(=O)c3cccs3)C2)cn1 ZINC000574558343 564678810 /nfs/dbraw/zinc/67/88/10/564678810.db2.gz DHJYSCOZWCHMRL-QGZVFWFLSA-N 1 0 379.551 2.685 20 0 GFADRO CC(C)N(Cc1ccc(Br)cc1)C(=O)C(=O)N[C@H](C)CC[NH+](C)C ZINC000552190921 564681248 /nfs/dbraw/zinc/68/12/48/564681248.db2.gz LXYVNNRVDYCRSD-CQSZACIVSA-N 1 0 398.345 2.643 20 0 GFADRO COc1cc(OC)cc(N2CC[C@H]([NH2+]Cc3c(Br)cnn3C)C2)c1 ZINC000487317291 564682431 /nfs/dbraw/zinc/68/24/31/564682431.db2.gz JGSREYWXMAFLTR-LBPRGKRZSA-N 1 0 395.301 2.568 20 0 GFADRO CCN(CC)S(=O)(=O)c1ccc(CN[C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)s1 ZINC000552227513 564682929 /nfs/dbraw/zinc/68/29/29/564682929.db2.gz AVIKOPBNZJQLKL-ZACQAIPSSA-N 1 0 385.599 2.741 20 0 GFADRO O=S(=O)(NCC1([NH+]2CCCC2)CCOCC1)c1ccc(Cl)c(Cl)c1 ZINC000524591841 564683322 /nfs/dbraw/zinc/68/33/22/564683322.db2.gz UYWQIUNJQGPKCX-UHFFFAOYSA-N 1 0 393.336 2.917 20 0 GFADRO CC[NH+](CC)C[C@H](C)NC(=O)N[C@@H]1CCO[C@H]1c1cncc(Br)c1 ZINC000457999668 564683606 /nfs/dbraw/zinc/68/36/06/564683606.db2.gz DZHZZBQVUOBKCR-MAZHCROVSA-N 1 0 399.333 2.704 20 0 GFADRO O=C(CNCc1cnc(-c2ccsc2)s1)NCC[NH+]1CCCCCC1 ZINC000552277986 564684567 /nfs/dbraw/zinc/68/45/67/564684567.db2.gz PRQGKPIJFMBESC-UHFFFAOYSA-N 1 0 378.567 2.953 20 0 GFADRO CC(C)n1cc(Br)cc1C(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000524685836 564685590 /nfs/dbraw/zinc/68/55/90/564685590.db2.gz KYNSEHYOVADJHO-UHFFFAOYSA-N 1 0 385.350 2.589 20 0 GFADRO COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+]CCn1cc(Br)cn1 ZINC000552333367 564686613 /nfs/dbraw/zinc/68/66/13/564686613.db2.gz CRGZIUVGODXZBV-NSHDSACASA-N 1 0 381.274 2.963 20 0 GFADRO C[C@H](NC(=O)c1ccc(Br)cc1)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000487409529 564687120 /nfs/dbraw/zinc/68/71/20/564687120.db2.gz DZXVOPKRTKXVFR-APHBMKBZSA-N 1 0 396.329 2.556 20 0 GFADRO COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+][C@@H](C)C1(S(C)(=O)=O)CC1 ZINC000552338957 564687373 /nfs/dbraw/zinc/68/73/73/564687373.db2.gz UUAKATHLOPJSTL-NEPJUHHUSA-N 1 0 388.917 2.621 20 0 GFADRO O=C(NC[C@H]1CCC[NH2+]1)NCC1(c2ccc(Br)cc2)CCOCC1 ZINC000574741404 564687414 /nfs/dbraw/zinc/68/74/14/564687414.db2.gz CATNVHCYMQZMCF-MRXNPFEDSA-N 1 0 396.329 2.549 20 0 GFADRO Clc1cc(CNC2CC[NH+](CCN3CCOCC3)CC2)c(Cl)s1 ZINC000552378804 564688984 /nfs/dbraw/zinc/68/89/84/564688984.db2.gz PCKYLXDFOYURRK-UHFFFAOYSA-N 1 0 378.369 2.941 20 0 GFADRO CN(CC[NH+]1CCCC1)C(=O)C1CCN(C(=O)c2ccc(Cl)s2)CC1 ZINC000487559470 564691575 /nfs/dbraw/zinc/69/15/75/564691575.db2.gz RUDUVTLMZDYYSK-UHFFFAOYSA-N 1 0 383.945 2.808 20 0 GFADRO C[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000552524133 564694631 /nfs/dbraw/zinc/69/46/31/564694631.db2.gz ZFWZIMBVRBBQRM-LALPHHSUSA-N 1 0 386.323 2.640 20 0 GFADRO CC[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCN(Cc2cc(Br)ccc2F)CC1 ZINC000575300740 564695494 /nfs/dbraw/zinc/69/54/94/564695494.db2.gz YBRLRDVXCHGVCY-WBVHZDCISA-N 1 0 398.320 2.621 20 0 GFADRO Cc1ncc2n1C[C@@H](C(=O)N(CCO)Cc1cc(Br)cs1)CC2 ZINC000575322195 564696733 /nfs/dbraw/zinc/69/67/33/564696733.db2.gz ZQTSUGYFRCOMDT-LBPRGKRZSA-N 1 0 398.326 2.599 20 0 GFADRO O=C(NC1(c2ccc(Br)cc2)CC1)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000575373963 564697882 /nfs/dbraw/zinc/69/78/82/564697882.db2.gz PTRGHAVOZNQQDX-MRXNPFEDSA-N 1 0 389.297 2.989 20 0 GFADRO C[NH+](C)C1(CNC(=O)NCC(=O)Nc2cccc(Br)c2)CCCC1 ZINC000487875268 564697928 /nfs/dbraw/zinc/69/79/28/564697928.db2.gz HMLPXGGOJISJBP-UHFFFAOYSA-N 1 0 397.317 2.561 20 0 GFADRO CC[NH+]1C[C@@H](C)N(C(=O)c2cc(Br)c3c(c2)OCCO3)[C@H](C)C1 ZINC000575782229 564703961 /nfs/dbraw/zinc/70/39/61/564703961.db2.gz ZBCVRMSLRDHYGM-VXGBXAGGSA-N 1 0 383.286 2.775 20 0 GFADRO Cc1cccc(OC[C@H](O)C[N@H+](CCO)Cc2cccc(Br)c2)c1 ZINC000488229341 564707084 /nfs/dbraw/zinc/70/70/84/564707084.db2.gz HQAHIVRRVUVAJN-GOSISDBHSA-N 1 0 394.309 2.992 20 0 GFADRO CC(C)Cc1ncnc(N2CC[C@H](C[NH+](C)C)C2)c1I ZINC000553062473 564707716 /nfs/dbraw/zinc/70/77/16/564707716.db2.gz VEOKMONWZWHZFU-GFCCVEGCSA-N 1 0 388.297 2.668 20 0 GFADRO C[C@@H]1CC[N@H+](CCNC(=O)[C@@H]2CC(=O)N(c3cc(Cl)cc(Cl)c3)C2)C1 ZINC000525805339 564709643 /nfs/dbraw/zinc/70/96/43/564709643.db2.gz SINGFYCHAWDZQA-CHWSQXEVSA-N 1 0 384.307 2.804 20 0 GFADRO CN(C[C@H]1CCC[N@H+](C)C1)c1c(Br)cccc1S(C)(=O)=O ZINC000553100739 564709752 /nfs/dbraw/zinc/70/97/52/564709752.db2.gz VTWGDSVSJXZXFL-LBPRGKRZSA-N 1 0 375.332 2.631 20 0 GFADRO CO[C@H]1CCN(C(=O)NCc2cn3cc(Br)cc(C)c3n2)C[C@H]1C ZINC000458641347 564710001 /nfs/dbraw/zinc/71/00/01/564710001.db2.gz CGRGLMAMRVPEOJ-DOMZBBRYSA-N 1 0 395.301 2.972 20 0 GFADRO Cc1cc2cc(C(=O)NC[C@]3(O)C[NH+]4CCC3CC4)oc2c(Br)c1 ZINC000576307041 564711780 /nfs/dbraw/zinc/71/17/80/564711780.db2.gz XMGIZEUSXGWOLQ-SFHVURJKSA-N 1 0 393.281 2.690 20 0 GFADRO COc1cc(Br)ccc1CNC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000488499514 564712967 /nfs/dbraw/zinc/71/29/67/564712967.db2.gz DOFWBVWCQKPNNB-CABCVRRESA-N 1 0 382.302 2.884 20 0 GFADRO C[NH+](C)CCCC(C)(C)NC(=O)NCc1ccc(S(C)(=O)=O)c(Cl)c1 ZINC000458711062 564714185 /nfs/dbraw/zinc/71/41/85/564714185.db2.gz KWIOVAXRCCGJIC-UHFFFAOYSA-N 1 0 389.949 2.663 20 0 GFADRO O[C@H](C[NH2+][C@H](c1cccc(Br)c1)C1CCOCC1)[C@@H]1CCOC1 ZINC000525973340 564714572 /nfs/dbraw/zinc/71/45/72/564714572.db2.gz QVZFPXTXYKQXKV-NXHRZFHOSA-N 1 0 384.314 2.904 20 0 GFADRO C[C@@H]1CN(C(=O)NCCCCn2cc(Br)cn2)CC[N@@H+](C2CC2)C1 ZINC000458755738 564716844 /nfs/dbraw/zinc/71/68/44/564716844.db2.gz WRKWZNXCDYTICJ-AWEZNQCLSA-N 1 0 398.349 2.552 20 0 GFADRO C[N@@H+]1CC[C@@H](C(=O)N[C@@H](CO)c2ccc(Br)cc2C(F)(F)F)C1 ZINC000526037560 564717254 /nfs/dbraw/zinc/71/72/54/564717254.db2.gz QRUBKCYIWZHZOL-RNCFNFMXSA-N 1 0 395.219 2.569 20 0 GFADRO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)NCc1nc2c(cccc2Br)[nH]1 ZINC000458787928 564717815 /nfs/dbraw/zinc/71/78/15/564717815.db2.gz LJIJKSURGRGZLX-LLVKDONJSA-N 1 0 382.306 2.853 20 0 GFADRO O=S(=O)(c1cc(F)ccc1Cl)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000488698162 564718114 /nfs/dbraw/zinc/71/81/14/564718114.db2.gz QUZIGDBZXKKHLA-UHFFFAOYSA-N 1 0 390.908 2.602 20 0 GFADRO CCOc1ccc(S(=O)(=O)N2C[C@@H](SC)[C@H]([NH+]3CCCC3)C2)cc1C ZINC000526085202 564719814 /nfs/dbraw/zinc/71/98/14/564719814.db2.gz BCQJVNRJNCLGPU-SJLPKXTDSA-N 1 0 384.567 2.594 20 0 GFADRO CCC[NH+]1CCC(NS(=O)(=O)c2c(F)cccc2OC(F)(F)F)CC1 ZINC000553437324 564720470 /nfs/dbraw/zinc/72/04/70/564720470.db2.gz RXIPYMLNOSKNRC-UHFFFAOYSA-N 1 0 384.395 2.877 20 0 GFADRO Cc1ccc(Br)cc1CNC(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000526128836 564721404 /nfs/dbraw/zinc/72/14/04/564721404.db2.gz KPILFLIHHPQNMV-UHFFFAOYSA-N 1 0 397.361 2.584 20 0 GFADRO COCCN(CC[NH+](C)C)C(=O)N[C@H](C)c1ccc(F)c(Br)c1 ZINC000458864686 564721368 /nfs/dbraw/zinc/72/13/68/564721368.db2.gz ZXJGTKNJYLSASH-GFCCVEGCSA-N 1 0 390.297 2.869 20 0 GFADRO CC1CC[NH+](CCNS(=O)(=O)c2cc(Br)c(F)cc2F)CC1 ZINC000488850999 564722495 /nfs/dbraw/zinc/72/24/95/564722495.db2.gz HLFRAOLYFDANON-UHFFFAOYSA-N 1 0 397.285 2.738 20 0 GFADRO Cc1nc(CNC(=O)NCC2(C)CC[NH+](C)CC2)sc1Br ZINC000458935198 564724766 /nfs/dbraw/zinc/72/47/66/564724766.db2.gz VFLFKJUOONOOOH-UHFFFAOYSA-N 1 0 375.336 2.745 20 0 GFADRO CC[C@@H](Cc1ccccc1Br)[NH2+]C1CCC2(CC1)NC(=O)NC2=O ZINC000553564184 564726698 /nfs/dbraw/zinc/72/66/98/564726698.db2.gz QQNBBGHMDVBJNQ-VNSJNIRKSA-N 1 0 394.313 2.881 20 0 GFADRO C[NH+](C)CCCNS(=O)(=O)c1cc(C(F)(F)F)ccc1Br ZINC000489035644 564727519 /nfs/dbraw/zinc/72/75/19/564727519.db2.gz FPOVUOUUYQXKEK-UHFFFAOYSA-N 1 0 389.237 2.698 20 0 GFADRO C[C@H](O)C[N@@H+]1CCN(C(=O)NC/C=C/c2ccc(Br)cc2)[C@@H](C)C1 ZINC000458981810 564727663 /nfs/dbraw/zinc/72/76/63/564727663.db2.gz TWBXYBUPVTXWTE-WCYDHSITSA-N 1 0 396.329 2.559 20 0 GFADRO COC[C@]1(CNC(=O)c2cc(C)nc3cc(Br)ccc32)CCC[NH2+]1 ZINC000577176373 564728278 /nfs/dbraw/zinc/72/82/78/564728278.db2.gz NEELVQXXWMFJTO-GOSISDBHSA-N 1 0 392.297 2.804 20 0 GFADRO CC[NH+](CC)CCN(CC(C)C)C(=O)NCc1nn(C)cc1Br ZINC000459011697 564728270 /nfs/dbraw/zinc/72/82/70/564728270.db2.gz IEDQUPPLTJDBEC-UHFFFAOYSA-N 1 0 388.354 2.692 20 0 GFADRO CCCN(CCC[NH+](C)C)C(=O)c1ccc(Cl)c(NS(C)(=O)=O)c1 ZINC000527058450 564729381 /nfs/dbraw/zinc/72/93/81/564729381.db2.gz QLOQXFXLRDZYDU-UHFFFAOYSA-N 1 0 375.922 2.515 20 0 GFADRO Cn1cc(Br)c(CNC(=O)N2CC[NH+](CC3CCCCC3)CC2)n1 ZINC000459037565 564729373 /nfs/dbraw/zinc/72/93/73/564729373.db2.gz XEHDIVQZDDNIRV-UHFFFAOYSA-N 1 0 398.349 2.590 20 0 GFADRO O=C(C[NH+]1CCCC1)N1CCN(CCOc2c(Cl)cccc2Cl)CC1 ZINC000489178295 564731537 /nfs/dbraw/zinc/73/15/37/564731537.db2.gz KSCKENMZWXLUTI-UHFFFAOYSA-N 1 0 386.323 2.612 20 0 GFADRO C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+]1CC[C@@](O)(C2CC2)C1 ZINC000489226545 564733507 /nfs/dbraw/zinc/73/35/07/564733507.db2.gz XDTYMFPKEDZAKG-UGSOOPFHSA-N 1 0 381.314 2.643 20 0 GFADRO C[C@@H]1CC[N@H+](C)CCN1C(=O)NCc1nc2c(cccc2Br)[nH]1 ZINC000459221989 564736477 /nfs/dbraw/zinc/73/64/77/564736477.db2.gz UUWIWQKSOIEXDW-LLVKDONJSA-N 1 0 380.290 2.561 20 0 GFADRO Cn1cc(C[N@@H+]2CCCN(Cc3cccc(O)c3Br)CC2)cn1 ZINC000459333936 564739557 /nfs/dbraw/zinc/73/95/57/564739557.db2.gz JZEGYEOGMKINEG-UHFFFAOYSA-N 1 0 379.302 2.596 20 0 GFADRO C[N@@H+]1CCCC[C@@H]1CN1CCN(Cc2cccc(O)c2Br)CC1 ZINC000459334276 564740062 /nfs/dbraw/zinc/74/00/62/564740062.db2.gz LFQHYINUHZOGJP-MRXNPFEDSA-N 1 0 382.346 2.757 20 0 GFADRO C[C@H]1CN(Cc2cccc(O)c2Br)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000459341906 564741294 /nfs/dbraw/zinc/74/12/94/564741294.db2.gz OUOCYEBCTWHNGN-GOEBONIOSA-N 1 0 382.346 2.613 20 0 GFADRO O=C(c1ccncc1)N1CCC([NH2+]Cc2cccc(O)c2Br)CC1 ZINC000459397834 564742820 /nfs/dbraw/zinc/74/28/20/564742820.db2.gz KHRMRJOMNGMBKG-UHFFFAOYSA-N 1 0 390.281 2.944 20 0 GFADRO CCCCS(=O)(=O)Nc1ccc(NC(=O)C[N@H+](C)[C@@H]2CCSC2)cc1 ZINC000489543960 564742930 /nfs/dbraw/zinc/74/29/30/564742930.db2.gz BBHSLCLXPDYGFU-MRXNPFEDSA-N 1 0 385.555 2.604 20 0 GFADRO CN(CCC[NH+]1CCCC1)S(=O)(=O)Cc1ccccc1Br ZINC000553896843 564744193 /nfs/dbraw/zinc/74/41/93/564744193.db2.gz YUGHTAFAVNPKCV-UHFFFAOYSA-N 1 0 375.332 2.697 20 0 GFADRO COCCO[C@H]1C[C@@H](CO)CN(Cc2cc(Cl)cc(Br)c2)C1 ZINC000459430327 564744746 /nfs/dbraw/zinc/74/47/46/564744746.db2.gz QIIFMMOUWANZRQ-CJNGLKHVSA-N 1 0 392.721 2.948 20 0 GFADRO CC[NH+]1CCN(CC(=O)N[C@H]2c3cc(Br)ccc3CC2(C)C)CC1 ZINC000553970668 564746922 /nfs/dbraw/zinc/74/69/22/564746922.db2.gz WWDRIDVVMDCHKJ-SFHVURJKSA-N 1 0 394.357 2.826 20 0 GFADRO CCOc1cc(C[N@H+](C)[C@@H](C)CN2CCOCC2)cc(Br)c1O ZINC000459501524 564747918 /nfs/dbraw/zinc/74/79/18/564747918.db2.gz IMHQUCCOFWWRTR-ZDUSSCGKSA-N 1 0 387.318 2.706 20 0 GFADRO O=C(CNCc1cccc(O)c1Br)N[C@@H]1CCOc2ccccc21 ZINC000459547561 564749973 /nfs/dbraw/zinc/74/99/73/564749973.db2.gz SVWDIPVTPSDUNO-CQSZACIVSA-N 1 0 391.265 2.884 20 0 GFADRO CC[NH+](CC)CCS(=O)(=O)N1CCc2cc(Br)cc(C)c2C1 ZINC000579651082 564750490 /nfs/dbraw/zinc/75/04/90/564750490.db2.gz YLLMPKYOAOBJJX-UHFFFAOYSA-N 1 0 389.359 2.787 20 0 GFADRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1cc2c(c(Br)c1)OCO2 ZINC000554112765 564751305 /nfs/dbraw/zinc/75/13/05/564751305.db2.gz SQINGNNYQYYSHN-SMDDNHRTSA-N 1 0 381.270 2.877 20 0 GFADRO O=C(N1CCc2ccc(F)c(Br)c2C1)C1(N2CCOCC2)CCC1 ZINC000527628351 564752357 /nfs/dbraw/zinc/75/23/57/564752357.db2.gz OYVUOBUPJLZEFS-UHFFFAOYSA-N 1 0 397.288 2.728 20 0 GFADRO CCOC(=O)c1cc(Cl)cc(S(=O)(=O)N(C)CC2([NH+](C)C)CCC2)c1 ZINC000489783751 564752379 /nfs/dbraw/zinc/75/23/79/564752379.db2.gz KZRUCBODHWJBEO-UHFFFAOYSA-N 1 0 388.917 2.622 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)NCCCn1cc(Br)cn1)c1ccccc1 ZINC000554220384 564753717 /nfs/dbraw/zinc/75/37/17/564753717.db2.gz QFIZJQJTYKUNPF-MRXNPFEDSA-N 1 0 394.317 2.638 20 0 GFADRO O=S1(=O)CCC(CC[NH2+]Cc2ncc(Cl)cc2Br)CC1 ZINC000527685359 564755079 /nfs/dbraw/zinc/75/50/79/564755079.db2.gz DIVNECOJZTZVQH-UHFFFAOYSA-N 1 0 381.723 2.802 20 0 GFADRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1c[nH]nc1-c1ccc(Br)s1 ZINC000527687835 564755470 /nfs/dbraw/zinc/75/54/70/564755470.db2.gz WCYGOYRRDNHKAP-MNOVXSKESA-N 1 0 383.315 2.905 20 0 GFADRO CCOC(=O)c1cc(Cl)cc(S(=O)(=O)N[C@H](C)C[N@H+](C)C(C)C)c1 ZINC000489881614 564756632 /nfs/dbraw/zinc/75/66/32/564756632.db2.gz FWPKDCRBZSZDAL-GFCCVEGCSA-N 1 0 376.906 2.524 20 0 GFADRO COC(=O)C(C)(C)CC[NH2+]C[C@@H](CO)Cc1cc(F)cc(Br)c1 ZINC000459698803 564757567 /nfs/dbraw/zinc/75/75/67/564757567.db2.gz LOSQKGOPHGTWJQ-ZDUSSCGKSA-N 1 0 390.293 2.918 20 0 GFADRO CNC(=O)[C@H](CCSC)[NH2+][C@H](C)Cc1ccc(Br)cc1F ZINC000489940451 564758304 /nfs/dbraw/zinc/75/83/04/564758304.db2.gz HQCWQVCEMDLZAN-YGRLFVJLSA-N 1 0 377.323 2.977 20 0 GFADRO Cc1cc(Br)cc(C)c1S(=O)(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000489989728 564759202 /nfs/dbraw/zinc/75/92/02/564759202.db2.gz PJMNPUOGKRQLMO-MRXNPFEDSA-N 1 0 387.343 2.830 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N2CCC3(CC[NH2+]C3)CC2)cc1Br ZINC000580530348 564762967 /nfs/dbraw/zinc/76/29/67/564762967.db2.gz DVIWCRDXLKAEOH-UHFFFAOYSA-N 1 0 394.313 2.607 20 0 GFADRO C[NH+](C)CCOCCNC(=O)N[C@@H]1c2cccc(Br)c2CC1(C)C ZINC000490241955 564767402 /nfs/dbraw/zinc/76/74/02/564767402.db2.gz GPLXBTYZZUIMLP-MRXNPFEDSA-N 1 0 398.345 2.950 20 0 GFADRO O=S(=O)(Cc1ccc(Cl)cc1Br)N[C@@H]1CC[NH2+]C12CCC2 ZINC000528049976 564768261 /nfs/dbraw/zinc/76/82/61/564768261.db2.gz VGGYEYDJRSBYRN-CYBMUJFWSA-N 1 0 393.734 2.807 20 0 GFADRO O=S(=O)(c1c(Cl)cccc1Cl)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000528061861 564768883 /nfs/dbraw/zinc/76/88/83/564768883.db2.gz XJXDNQDBDBXBQY-ZDUSSCGKSA-N 1 0 393.336 2.773 20 0 GFADRO O=S(=O)(c1cc(Cl)sc1Cl)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000528061951 564769063 /nfs/dbraw/zinc/76/90/63/564769063.db2.gz ZPPYNRXPVHVMGY-LLVKDONJSA-N 1 0 399.365 2.834 20 0 GFADRO O=S(=O)(NCC[NH2+][C@H]1CC[C@@H](c2ccc(Cl)cc2)C1)c1cccnc1 ZINC000580695006 564769423 /nfs/dbraw/zinc/76/94/23/564769423.db2.gz GCPNFBYEXAHIRW-WBVHZDCISA-N 1 0 379.913 2.939 20 0 GFADRO COCc1cc(Cl)cc(S(=O)(=O)N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)c1 ZINC000490423135 564770790 /nfs/dbraw/zinc/77/07/90/564770790.db2.gz RDFDYHFHEQUNRM-CQSZACIVSA-N 1 0 386.945 2.981 20 0 GFADRO O=C(CC[C@@H]1CC[NH2+]C1)NC1(c2cccc(Br)c2)CCOCC1 ZINC000580715065 564771219 /nfs/dbraw/zinc/77/12/19/564771219.db2.gz ZMEBKBCASMUOCF-CQSZACIVSA-N 1 0 381.314 2.961 20 0 GFADRO CC(=O)N[C@@H](CC(=O)N1CC[N@@H+](C)C(C)(C)C1)c1ccc(Br)cc1 ZINC000580739064 564771789 /nfs/dbraw/zinc/77/17/89/564771789.db2.gz DWIAUDYJKBGUNB-INIZCTEOSA-N 1 0 396.329 2.569 20 0 GFADRO CS[C@@H]1CN(CC(=O)Nc2nc3ccccc3s2)C[C@H]1[NH+]1CCCC1 ZINC000460359672 564775088 /nfs/dbraw/zinc/77/50/88/564775088.db2.gz OUEZXSPJGUDSBG-GDBMZVCRSA-N 1 0 376.551 2.746 20 0 GFADRO Cc1nnsc1CN1CCCC2(CCC[N@H+](Cc3snnc3C)C2)C1 ZINC000580895263 564778333 /nfs/dbraw/zinc/77/83/33/564778333.db2.gz KEVXJKJUHFZUKN-UHFFFAOYSA-N 1 0 378.571 2.885 20 0 GFADRO CCOC(=O)CC(C)(C)[N@H+](C)C[C@H](O)COc1ccc(Br)cc1 ZINC000490650946 564779610 /nfs/dbraw/zinc/77/96/10/564779610.db2.gz OYVSDZHQSFRCEX-AWEZNQCLSA-N 1 0 388.302 2.852 20 0 GFADRO OCc1cn(CCC[NH2+]Cc2ccc(Br)cc2C(F)(F)F)nn1 ZINC000554982593 564780053 /nfs/dbraw/zinc/78/00/53/564780053.db2.gz WJEFIPOXCGKTFV-UHFFFAOYSA-N 1 0 393.207 2.732 20 0 GFADRO CC[N@@H+]1CCC[C@H](CNC(=O)C(C)(C)S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000490757311 564781183 /nfs/dbraw/zinc/78/11/83/564781183.db2.gz KXWNLARGRXYGCS-CQSZACIVSA-N 1 0 386.945 2.740 20 0 GFADRO O=C1C[C@H]([C@H]2CCCC[N@H+]2Cc2cn3ccc(Br)cc3n2)CN1 ZINC000555092487 564782918 /nfs/dbraw/zinc/78/29/18/564782918.db2.gz QWNQXJBGWFRWBV-SWLSCSKDSA-N 1 0 377.286 2.587 20 0 GFADRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)c1cc(Br)cnc1N(C)C ZINC000581014477 564783555 /nfs/dbraw/zinc/78/35/55/564783555.db2.gz MURKJMWEXPTROI-GFCCVEGCSA-N 1 0 383.334 2.712 20 0 GFADRO Cc1ccc(-c2csc(NC(=O)C(=O)N3CCC(CC[NH3+])CC3)n2)s1 ZINC000581018512 564783646 /nfs/dbraw/zinc/78/36/46/564783646.db2.gz ZGPMDIMXMFMNIZ-UHFFFAOYSA-N 1 0 378.523 2.706 20 0 GFADRO C[C@@H]1[NH2+]CC[C@H]1C(=O)N=c1cc(-c2cc(Br)ccc2Cl)[nH][nH]1 ZINC000581010777 564784233 /nfs/dbraw/zinc/78/42/33/564784233.db2.gz ZDENRZBMEUAUCP-WCBMZHEXSA-N 1 0 383.677 2.851 20 0 GFADRO COc1c(Br)cccc1C[NH2+]Cc1ccnc(N2CCOCC2)c1 ZINC000581046586 564784671 /nfs/dbraw/zinc/78/46/71/564784671.db2.gz AFQBWKILABCRMN-UHFFFAOYSA-N 1 0 392.297 2.979 20 0 GFADRO C[C@@H](CNC(=O)C[N@H+](C)[C@H]1CCSC1)Oc1ccc(Br)cc1 ZINC000491060021 564785108 /nfs/dbraw/zinc/78/51/08/564785108.db2.gz VBFREVASVQDUNE-JSGCOSHPSA-N 1 0 387.343 2.770 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)Cc2noc3ccc(Br)cc32)C[N@@H+]1C1CC1 ZINC000581067202 564786079 /nfs/dbraw/zinc/78/60/79/564786079.db2.gz ZNQLPKJALIPCPK-PWSUYJOCSA-N 1 0 378.270 2.874 20 0 GFADRO FC(F)Oc1c(Br)cccc1CN1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000491169970 564787629 /nfs/dbraw/zinc/78/76/29/564787629.db2.gz YUQOXYCVWFXZMN-CYBMUJFWSA-N 1 0 390.272 2.530 20 0 GFADRO O=S(=O)(NC[C@@H]1CC[N@@H+]1C1CCCCC1)c1c[nH]c2nccc(Cl)c12 ZINC000528470579 564788007 /nfs/dbraw/zinc/78/80/07/564788007.db2.gz APKSEFCVQZVFSS-ZDUSSCGKSA-N 1 0 382.917 2.902 20 0 GFADRO C[C@@H]1C[N@H+](CCCNS(=O)(=O)Cc2ccc(C(F)F)cc2)CCCO1 ZINC000555343180 564790586 /nfs/dbraw/zinc/79/05/86/564790586.db2.gz UMSAAVYRTQTWGZ-CQSZACIVSA-N 1 0 376.469 2.545 20 0 GFADRO O=S(=O)(NC[C@H]1CC[N@@H+]1C1CCCC1)c1cc(F)ccc1OC(F)F ZINC000528546368 564793355 /nfs/dbraw/zinc/79/33/55/564793355.db2.gz DEWSUZPZCBJKMC-CYBMUJFWSA-N 1 0 378.416 2.722 20 0 GFADRO CO[C@@H](C[NH3+])C(=O)N[C@@](C)(Cc1cccc(Br)c1)c1ccccc1 ZINC000581245297 564793918 /nfs/dbraw/zinc/79/39/18/564793918.db2.gz HQKCMMPCYLURNM-HKUYNNGSSA-N 1 0 391.309 2.997 20 0 GFADRO OCC[C@H]([NH2+]Cc1cn(-c2ccc(Cl)c(Cl)c2)nn1)C1CCOCC1 ZINC000461386531 564795337 /nfs/dbraw/zinc/79/53/37/564795337.db2.gz ZJKJWKZLVMJQHE-KRWDZBQOSA-N 1 0 385.295 2.841 20 0 GFADRO COC(=O)c1cc(NC(=O)N2C[C@@H](SC)[C@H]([NH+](C)C)C2)cc(Cl)c1F ZINC000555476476 564795413 /nfs/dbraw/zinc/79/54/13/564795413.db2.gz AKOQVFFOKIZHAP-CHWSQXEVSA-N 1 0 389.880 2.775 20 0 GFADRO O=C(C[NH+]1CCCC1)N1CCN(C(=O)Nc2ccc(Cl)cc2Cl)CC1 ZINC000491900118 564796339 /nfs/dbraw/zinc/79/63/39/564796339.db2.gz QOWOAFCRONMZRS-UHFFFAOYSA-N 1 0 385.295 2.765 20 0 GFADRO Cn1c(=O)cc(C[N@H+](Cc2ccc(Br)cc2)C(C)(C)C)n(C)c1=O ZINC000528591983 564796628 /nfs/dbraw/zinc/79/66/28/564796628.db2.gz LJBKDHXZPJEDQT-UHFFFAOYSA-N 1 0 394.313 2.647 20 0 GFADRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)c3sc4ncccc4c3Cl)CC2)C1 ZINC000528584745 564796638 /nfs/dbraw/zinc/79/66/38/564796638.db2.gz UNQSXLXCNVOIOX-CYBMUJFWSA-N 1 0 378.929 2.802 20 0 GFADRO Cc1cc(Br)cc2c1[C@H]([NH2+]C1CCN(S(C)(=O)=O)CC1)CC2 ZINC000492057287 564797253 /nfs/dbraw/zinc/79/72/53/564797253.db2.gz AGUINCHFZYKHBX-OAHLLOKOSA-N 1 0 387.343 2.758 20 0 GFADRO CC[N@H+](CC(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1)C1CC1 ZINC000492035109 564797540 /nfs/dbraw/zinc/79/75/40/564797540.db2.gz UGRHUXLDFXUMIS-UHFFFAOYSA-N 1 0 382.346 2.824 20 0 GFADRO C[C@H]([NH2+]CCN1C(=O)NC(C)(C)C1=O)c1cc(F)c(Br)cc1F ZINC000528632302 564797525 /nfs/dbraw/zinc/79/75/25/564797525.db2.gz GBSYWQLALUADID-QMMMGPOBSA-N 1 0 390.228 2.708 20 0 GFADRO CS(=O)(=O)[C@H]1CCC[C@@H]([NH2+]Cc2c(Cl)cccc2N2CCOCC2)C1 ZINC000555552170 564797853 /nfs/dbraw/zinc/79/78/53/564797853.db2.gz JHJDLQWQADZXSI-CABCVRRESA-N 1 0 386.945 2.622 20 0 GFADRO CN(Cc1ccc(Cl)s1)C(=O)C[N@@H+]1CC2(CCOCC2)CC[C@@H]1CO ZINC000528638391 564797936 /nfs/dbraw/zinc/79/79/36/564797936.db2.gz INYYSQWACIUVPN-CQSZACIVSA-N 1 0 386.945 2.613 20 0 GFADRO Cc1nc(NC(=O)C(=O)N[C@@H](CC(C)C)C[NH+](C)C)sc1C(F)(F)F ZINC000581344320 564798146 /nfs/dbraw/zinc/79/81/46/564798146.db2.gz JYVDGHGXOZNCMA-JTQLQIEISA-N 1 0 380.436 2.501 20 0 GFADRO CC[C@@H](C(=O)N(C)[C@@H](C(N)=O)c1cccc(Br)c1)[NH+](CC)CC ZINC000461491631 564798672 /nfs/dbraw/zinc/79/86/72/564798672.db2.gz WKNAJIODUUHELH-LSDHHAIUSA-N 1 0 384.318 2.554 20 0 GFADRO CC[NH+](CC)CCNC(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000492195987 564799501 /nfs/dbraw/zinc/79/95/01/564799501.db2.gz XUZTUMYXUCARPB-OAHLLOKOSA-N 1 0 383.334 2.669 20 0 GFADRO CCOc1c(Br)cc(Cl)cc1NC(=O)NC[C@H]1COCC[NH2+]1 ZINC000528667592 564799689 /nfs/dbraw/zinc/79/96/89/564799689.db2.gz JXVRPECMMXFXDL-JTQLQIEISA-N 1 0 392.681 2.611 20 0 GFADRO COc1cc(Br)c(NC(=O)N[C@@H]2CC[NH2+]C23CCC3)cc1OC ZINC000528676662 564799884 /nfs/dbraw/zinc/79/98/84/564799884.db2.gz NNRTWZJYDBMNJH-CQSZACIVSA-N 1 0 384.274 2.872 20 0 GFADRO O=S(=O)(CCC[NH2+]C1CCN(CC(F)F)CC1)c1ccc(Cl)cc1 ZINC000555645301 564800184 /nfs/dbraw/zinc/80/01/84/564800184.db2.gz WBCOOMXPDZYDMZ-UHFFFAOYSA-N 1 0 380.888 2.823 20 0 GFADRO [NH3+]CC1(NC(=O)Nc2cc(F)c(Br)cc2Cl)CCOCC1 ZINC000528686932 564800593 /nfs/dbraw/zinc/80/05/93/564800593.db2.gz FTKFZXJYCXDFHC-UHFFFAOYSA-N 1 0 380.645 2.871 20 0 GFADRO O=C(NCCN1CC[NH2+]CC1)Nc1cccc2cccc(Br)c21 ZINC000528700777 564801385 /nfs/dbraw/zinc/80/13/85/564801385.db2.gz CCYCITFDXQYHGJ-UHFFFAOYSA-N 1 0 377.286 2.629 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CN(C(=O)Nc2cc(Cl)c(Br)cc2F)CCO1 ZINC000528695417 564801530 /nfs/dbraw/zinc/80/15/30/564801530.db2.gz CXSVHXUBFPJACC-JMCQJSRRSA-N 1 0 380.645 2.822 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)Nc2cc(Cl)c(Br)cc2F)CCCO1 ZINC000528695927 564801929 /nfs/dbraw/zinc/80/19/29/564801929.db2.gz FJOMIMHWXWZOFC-QMMMGPOBSA-N 1 0 380.645 2.823 20 0 GFADRO C[C@H]([NH3+])[C@H]1CN(C(=O)Nc2cc(Cl)c(Br)cc2F)CCO1 ZINC000528695418 564801926 /nfs/dbraw/zinc/80/19/26/564801926.db2.gz CXSVHXUBFPJACC-JVXZTZIISA-N 1 0 380.645 2.822 20 0 GFADRO CC(C)[C@]1(CO)CCC[N@H+](C[C@@H](O)COc2ccc(Br)cc2)C1 ZINC000555712726 564802710 /nfs/dbraw/zinc/80/27/10/564802710.db2.gz WILUDIVEVZHZHP-SJLPKXTDSA-N 1 0 386.330 2.919 20 0 GFADRO Cc1c2cc(Br)ccc2sc1C(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000581497690 564805524 /nfs/dbraw/zinc/80/55/24/564805524.db2.gz DHJSRPWSOKBFCB-STQMWFEESA-N 1 0 383.311 2.719 20 0 GFADRO C[C@@H]1C[NH+](CCCNC(=O)c2c(F)ccc(Br)c2F)C[C@@H](C)O1 ZINC000492935443 564805939 /nfs/dbraw/zinc/80/59/39/564805939.db2.gz DOLYCXAZBURQJP-GHMZBOCLSA-N 1 0 391.256 2.956 20 0 GFADRO O=S(=O)(N[C@@H]1C[C@H]1C1CC[NH2+]CC1)c1cccc(Cl)c1Br ZINC000461888939 564807728 /nfs/dbraw/zinc/80/77/28/564807728.db2.gz JHTNIOCTWDRHDE-CMPLNLGQSA-N 1 0 393.734 2.769 20 0 GFADRO O[C@H](C[NH2+]C[C@H]1COc2ccccc2O1)COc1ccc(Br)cc1 ZINC000555888794 564807792 /nfs/dbraw/zinc/80/77/92/564807792.db2.gz AWXXUMBQPFDRRD-ZBFHGGJFSA-N 1 0 394.265 2.618 20 0 GFADRO O[C@H](C[NH2+]C[C@H]1COc2ccccc2O1)COc1cccc(Br)c1 ZINC000555889518 564807875 /nfs/dbraw/zinc/80/78/75/564807875.db2.gz VIZNHNPBNDBHAQ-ZBFHGGJFSA-N 1 0 394.265 2.618 20 0 GFADRO O=C(NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1cc(O)cc(Br)c1 ZINC000528850649 564808328 /nfs/dbraw/zinc/80/83/28/564808328.db2.gz LTHKTOYPQGRKKV-IRXDYDNUSA-N 1 0 397.313 2.652 20 0 GFADRO [NH3+]C[C@H]1CN(S(=O)(=O)Cc2cc(Cl)cc(Cl)c2)CC12CCOCC2 ZINC000581607651 564809895 /nfs/dbraw/zinc/80/98/95/564809895.db2.gz NTEBBDHXDFWLKI-ZDUSSCGKSA-N 1 0 393.336 2.511 20 0 GFADRO CCC[C@H]1CN(C(=O)c2cc(O)cc(Br)c2)CC[N@@H+]1CCOC ZINC000528938760 564810761 /nfs/dbraw/zinc/81/07/61/564810761.db2.gz KPXLNAVQUMKBSJ-HNNXBMFYSA-N 1 0 385.302 2.728 20 0 GFADRO CC[C@H]1Cc2c(Br)cccc2C[N@@H+]1CCC(=O)N1CCOCC1 ZINC000556055108 564811427 /nfs/dbraw/zinc/81/14/27/564811427.db2.gz ZHQBFIBHCLTQKQ-HNNXBMFYSA-N 1 0 381.314 2.835 20 0 GFADRO C[C@@H]1C[C@H](NS(=O)(=O)c2cccc(Cl)c2Br)CC[N@@H+]1C ZINC000493899622 564812965 /nfs/dbraw/zinc/81/29/65/564812965.db2.gz GDLPNTDYXFYXRU-NXEZZACHSA-N 1 0 381.723 2.864 20 0 GFADRO COC(=O)c1cc(Br)cc(C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)c1 ZINC000462049564 564813342 /nfs/dbraw/zinc/81/33/42/564813342.db2.gz ODPIGDVOYGEQCS-OAHLLOKOSA-N 1 0 395.297 2.982 20 0 GFADRO O=C([C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000556169309 564814176 /nfs/dbraw/zinc/81/41/76/564814176.db2.gz XSRMQPMSBKGUEI-NORZTCDRSA-N 1 0 382.291 2.557 20 0 GFADRO COCC[N@@H+]1CC[C@@H](NC(=O)Nc2nc3c(cccc3Br)s2)C1 ZINC000494056631 564815831 /nfs/dbraw/zinc/81/58/31/564815831.db2.gz QGDROUAMYKNNLU-SNVBAGLBSA-N 1 0 399.314 2.901 20 0 GFADRO COCCOc1cccc(C[NH2+][C@H](C)Cn2cc(Br)ccc2=O)c1 ZINC000556235721 564816373 /nfs/dbraw/zinc/81/63/73/564816373.db2.gz FYKFDPSPGRPIPN-CQSZACIVSA-N 1 0 395.297 2.814 20 0 GFADRO C[NH2+]CCCC(=O)N1CCC(NC(=O)Nc2cccc(Br)c2)CC1 ZINC000581835465 564819485 /nfs/dbraw/zinc/81/94/85/564819485.db2.gz AQEJDXWZWSRWJZ-UHFFFAOYSA-N 1 0 397.317 2.561 20 0 GFADRO C[NH+](C)[C@H]1CCC[C@@H](NS(=O)(=O)CCc2ccccc2Br)C1 ZINC000462110070 564820404 /nfs/dbraw/zinc/82/04/04/564820404.db2.gz GQFZBSBTBVHLOR-CABCVRRESA-N 1 0 389.359 2.784 20 0 GFADRO Cc1nc(C(F)(F)F)sc1C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000462121795 564821094 /nfs/dbraw/zinc/82/10/94/564821094.db2.gz ZQNJYUPUNZYYHF-NSHDSACASA-N 1 0 377.432 2.701 20 0 GFADRO CC(C)[N@H+](C)C[C@@H](C)NS(=O)(=O)CCc1ccccc1Br ZINC000462128229 564822325 /nfs/dbraw/zinc/82/23/25/564822325.db2.gz GYRKWAGJGQKZTD-CYBMUJFWSA-N 1 0 377.348 2.640 20 0 GFADRO Cc1cscc1CNC(=O)C(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000581907262 564822447 /nfs/dbraw/zinc/82/24/47/564822447.db2.gz INUIJTCPRNOGQH-INIZCTEOSA-N 1 0 379.913 2.745 20 0 GFADRO COC(=O)c1cc(Br)cc(C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)c1 ZINC000462150292 564823754 /nfs/dbraw/zinc/82/37/54/564823754.db2.gz SNWFHXMGKQXNBR-NSHDSACASA-N 1 0 385.302 2.942 20 0 GFADRO C[C@@H]1C[N@H+](CCCNC(=O)c2ccc(Br)c(F)c2F)CCCO1 ZINC000529174985 564823897 /nfs/dbraw/zinc/82/38/97/564823897.db2.gz VNZWAWKLUBOWLQ-LLVKDONJSA-N 1 0 391.256 2.958 20 0 GFADRO C[C@@H](C(=O)N1CC[C@H](C[NH+]2CCOCC2)C1)c1cccc(Br)c1 ZINC000462146649 564824006 /nfs/dbraw/zinc/82/40/06/564824006.db2.gz OWMAMTZWFQQGNR-HUUCEWRRSA-N 1 0 381.314 2.733 20 0 GFADRO Cc1cc(CNC(=O)N2CC[NH+]3CCC2CC3)ccc1I ZINC000556445720 564826053 /nfs/dbraw/zinc/82/60/53/564826053.db2.gz FCEPOAHGUFKMEI-UHFFFAOYSA-N 1 0 399.276 2.589 20 0 GFADRO COc1cc(Br)ccc1CCCNC(=O)N1CC[NH+]2CCC1CC2 ZINC000556446355 564826511 /nfs/dbraw/zinc/82/65/11/564826511.db2.gz JIEHJMUHOSMINK-UHFFFAOYSA-N 1 0 396.329 2.880 20 0 GFADRO Cc1nc(C(F)(F)F)sc1C(=O)N1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000462246162 564828592 /nfs/dbraw/zinc/82/85/92/564828592.db2.gz MGRGVEGELVXPTQ-IJLUTSLNSA-N 1 0 377.432 2.794 20 0 GFADRO CNC(=O)c1cccc(NC(=O)N[C@H](C)C(C)(C)C[NH+](C)C)c1Br ZINC000494450949 564830268 /nfs/dbraw/zinc/83/02/68/564830268.db2.gz AFCBHNSACIPCAP-LLVKDONJSA-N 1 0 399.333 2.907 20 0 GFADRO CC(C)[C@@H]1C[NH2+]CCN1C(=O)N[C@H]1CCOc2c(Br)cccc21 ZINC000529331047 564830563 /nfs/dbraw/zinc/83/05/63/564830563.db2.gz PZTKASUNRXQDAR-GJZGRUSLSA-N 1 0 382.302 2.912 20 0 GFADRO O=C(N[C@@H]1CC[NH2+]C12CCC2)N1CCOc2ccc(Br)cc2C1 ZINC000529354026 564830885 /nfs/dbraw/zinc/83/08/85/564830885.db2.gz RVYLTDLRAOXSGN-OAHLLOKOSA-N 1 0 380.286 2.638 20 0 GFADRO COc1cc(Br)ccc1CCCNC(=O)C[C@@H]1CSCC[NH2+]1 ZINC000582116975 564831524 /nfs/dbraw/zinc/83/15/24/564831524.db2.gz ZOPFCRWBGONHQX-CQSZACIVSA-N 1 0 387.343 2.602 20 0 GFADRO O=C(NC[C@@H]1COCC[NH2+]1)N1CCCC[C@H]1Cc1ccccc1Br ZINC000529375075 564832141 /nfs/dbraw/zinc/83/21/41/564832141.db2.gz BRMYHYSXSRJLJJ-CVEARBPZSA-N 1 0 396.329 2.544 20 0 GFADRO Cc1cc([C@@H]2CCCN2C(=O)NC[C@H]2COCC[NH2+]2)ccc1Br ZINC000529377434 564832424 /nfs/dbraw/zinc/83/24/24/564832424.db2.gz NXBXCODCFXJMFH-HOCLYGCPSA-N 1 0 382.302 2.592 20 0 GFADRO C[NH+](C)C1(CNS(=O)(=O)c2cccc(Cl)c2F)Cc2ccccc2C1 ZINC000462312104 564832743 /nfs/dbraw/zinc/83/27/43/564832743.db2.gz JMRKIXBEEDHLLA-UHFFFAOYSA-N 1 0 382.888 2.857 20 0 GFADRO CC1(c2cccc(Br)c2)CCN(C(=O)NC[C@@H]2COCC[NH2+]2)CC1 ZINC000529379468 564832832 /nfs/dbraw/zinc/83/28/32/564832832.db2.gz WWEKLNMDZWRSGH-MRXNPFEDSA-N 1 0 396.329 2.501 20 0 GFADRO C[C@H](NC(=O)N1CCC[C@H]1C[NH+]1CCCCC1)c1ncc(Br)cn1 ZINC000582166908 564833368 /nfs/dbraw/zinc/83/33/68/564833368.db2.gz QYTRNAXAAFZSJB-ZFWWWQNUSA-N 1 0 396.333 2.960 20 0 GFADRO COC(=O)c1cc(Br)cc(C(=O)NC2CC([NH+]3CCCCC3)C2)c1 ZINC000462331820 564833806 /nfs/dbraw/zinc/83/38/06/564833806.db2.gz LKYHEVKIRWYHFP-UHFFFAOYSA-N 1 0 395.297 2.982 20 0 GFADRO CCOC(=O)Cc1csc(NC(=O)C[NH2+][C@H](c2cccs2)C2CC2)n1 ZINC000462336976 564834621 /nfs/dbraw/zinc/83/46/21/564834621.db2.gz WOOPSNLYZJRBHS-INIZCTEOSA-N 1 0 379.507 2.990 20 0 GFADRO C[N@@H+]1CCC[C@@H]1[C@H]1COCCN1C(=O)[C@@H]1C[C@H]1c1csc(Br)c1 ZINC000529427193 564834975 /nfs/dbraw/zinc/83/49/75/564834975.db2.gz QGNLZPMHZFXPPJ-GBJTYRQASA-N 1 0 399.354 2.936 20 0 GFADRO CC[NH+]1CCC(CCNS(=O)(=O)N(C)Cc2c(F)cccc2Cl)CC1 ZINC000462392494 564836113 /nfs/dbraw/zinc/83/61/13/564836113.db2.gz LGRNVZZQUYNODA-UHFFFAOYSA-N 1 0 391.940 2.867 20 0 GFADRO COc1cc(NC(=O)C[NH2+][C@H](CO)c2sccc2C)c(OC)cc1Cl ZINC000494673326 564837473 /nfs/dbraw/zinc/83/74/73/564837473.db2.gz KVOLWDJMWNPOIA-CYBMUJFWSA-N 1 0 384.885 2.989 20 0 GFADRO C[NH+](C)CCN(Cc1ccsc1)C(=O)NCc1n[nH]cc1Br ZINC000556752018 564838459 /nfs/dbraw/zinc/83/84/59/564838459.db2.gz WUCJYWNWFDYKLP-UHFFFAOYSA-N 1 0 386.319 2.507 20 0 GFADRO COCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](Cc2ccsc2Br)C1 ZINC000529526253 564839463 /nfs/dbraw/zinc/83/94/63/564839463.db2.gz KJPKWOMPVODASM-WCQYABFASA-N 1 0 375.332 2.874 20 0 GFADRO Cc1ccc(S(=O)(=O)NCC[N@H+]2CCC[C@@H](C)C2)cc1Br ZINC000462443296 564840349 /nfs/dbraw/zinc/84/03/49/564840349.db2.gz XHWCAYWGYPUGON-GFCCVEGCSA-N 1 0 375.332 2.768 20 0 GFADRO OC[C@@H]([NH2+]C[C@@H](O)COc1cccc(Br)c1)c1ccc(F)cc1 ZINC000582320685 564841183 /nfs/dbraw/zinc/84/11/83/564841183.db2.gz LXEZZPZVTUJWKA-NVXWUHKLSA-N 1 0 384.245 2.651 20 0 GFADRO CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)c2sc(C(F)(F)F)nc2C)C1 ZINC000462467849 564841462 /nfs/dbraw/zinc/84/14/62/564841462.db2.gz KXGXDSAVEJTULJ-RYUDHWBXSA-N 1 0 377.432 2.796 20 0 GFADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@H](C)c2ncc(Br)cn2)C1 ZINC000582338110 564841535 /nfs/dbraw/zinc/84/15/35/564841535.db2.gz JOIOBOADMDBHNC-OLZOCXBDSA-N 1 0 384.322 2.673 20 0 GFADRO CCC[C@]1(CO)CC[N@H+](C[C@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000582352547 564842521 /nfs/dbraw/zinc/84/25/21/564842521.db2.gz LQORGTJIUSSXDH-RDJZCZTQSA-N 1 0 390.293 2.812 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H](C(=O)NCc2nc(-c3cccc(Br)c3)no2)C1 ZINC000582355140 564842568 /nfs/dbraw/zinc/84/25/68/564842568.db2.gz WLFDCFSLDUKUDC-DGCLKSJQSA-N 1 0 379.258 2.633 20 0 GFADRO O=S(=O)(c1cccs1)N1CC[C@H](C[NH2+]Cc2c(F)ccc(O)c2F)C1 ZINC000556857374 564844163 /nfs/dbraw/zinc/84/41/63/564844163.db2.gz VRVMCZGSLXYFFO-LLVKDONJSA-N 1 0 388.461 2.532 20 0 GFADRO CC[C@H](C)[N@H+](C)CCNC(=O)N(CCO)Cc1cc(Br)cs1 ZINC000494959747 564844405 /nfs/dbraw/zinc/84/44/05/564844405.db2.gz NBXBFXLBUWYKGU-LBPRGKRZSA-N 1 0 392.363 2.745 20 0 GFADRO CC(C)[N@H+](C)C[C@@H](C)NC(=O)N[C@@H](CCO)c1ccccc1Br ZINC000462524993 564845383 /nfs/dbraw/zinc/84/53/83/564845383.db2.gz JSOPNMCZPVFRKF-CJNGLKHVSA-N 1 0 386.334 2.901 20 0 GFADRO C[C@@H]1C[C@H]([NH2+]C[C@@H](O)COc2ccc(I)cc2)[C@H]1C ZINC000495083499 564848659 /nfs/dbraw/zinc/84/86/59/564848659.db2.gz XWGDZRBFHPIMOI-OICBVUGWSA-N 1 0 375.250 2.665 20 0 GFADRO Cc1c(Br)cc(C(=O)NC[C@H]2CC[N@@H+]2C2CCCCC2)c(=O)n1C ZINC000529721028 564848824 /nfs/dbraw/zinc/84/88/24/564848824.db2.gz WYYXECXQSZNAFX-CQSZACIVSA-N 1 0 396.329 2.593 20 0 GFADRO [NH3+]C[C@@H]1CCCN(C(=O)Nc2ccnn2Cc2cccc(Br)c2)C1 ZINC000557002162 564850918 /nfs/dbraw/zinc/85/09/18/564850918.db2.gz GWNMDXFKELUQBV-AWEZNQCLSA-N 1 0 392.301 2.897 20 0 GFADRO [NH3+]C[C@@H]1CCCC[C@]12NC(=O)N(Cc1csc(-c3cccs3)n1)C2=O ZINC000582544266 564851373 /nfs/dbraw/zinc/85/13/73/564851373.db2.gz CKLYBYZIVDHVOZ-GTNSWQLSSA-N 1 0 376.507 2.811 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)c(C)c1C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000582605261 564853480 /nfs/dbraw/zinc/85/34/80/564853480.db2.gz MOFHKINJEVGGSH-OKILXGFUSA-N 1 0 389.297 2.543 20 0 GFADRO CC[C@@H]1CN(C(=O)Nc2nccc(Br)c2C)CC[N@@H+]1CCOC ZINC000582595243 564853948 /nfs/dbraw/zinc/85/39/48/564853948.db2.gz JHVHGFZMCRYRKF-CYBMUJFWSA-N 1 0 385.306 2.727 20 0 GFADRO CS[C@H]1CN(C(=O)Cc2c[nH]c3cc(Br)ccc23)C[C@@H]1[NH+](C)C ZINC000495551313 564854367 /nfs/dbraw/zinc/85/43/67/564854367.db2.gz XBEIDVHAAOVCTO-HOTGVXAUSA-N 1 0 396.354 2.977 20 0 GFADRO C[C@H]([NH2+]CCOc1ccc(S(C)(=O)=O)cc1)c1cncc(Br)c1 ZINC000582617410 564854747 /nfs/dbraw/zinc/85/47/47/564854747.db2.gz NXZMTAYASKFQNW-LBPRGKRZSA-N 1 0 399.310 2.977 20 0 GFADRO CN(CC[C@@H]1CCCC[N@@H+]1C)S(=O)(=O)c1ccc(Br)cc1 ZINC000462700528 564855427 /nfs/dbraw/zinc/85/54/27/564855427.db2.gz GKAUBLKNRXEFAX-AWEZNQCLSA-N 1 0 375.332 2.944 20 0 GFADRO CC1([NH+]2CCOCC2)CCN(C(=O)c2cccc(Br)c2F)CC1 ZINC000529909672 564855972 /nfs/dbraw/zinc/85/59/72/564855972.db2.gz MBZVHRDGPNDLRD-UHFFFAOYSA-N 1 0 385.277 2.915 20 0 GFADRO COc1cccc(CC[NH2+][C@@H](C)Cn2cc(Br)ccc2=O)c1OC ZINC000582653290 564856316 /nfs/dbraw/zinc/85/63/16/564856316.db2.gz NPKGQCMRABFLQD-ZDUSSCGKSA-N 1 0 395.297 2.849 20 0 GFADRO CS[C@H]1CN(C(=O)Cc2cccc(OCC(F)(F)F)c2)C[C@H]1[NH+](C)C ZINC000495725345 564856808 /nfs/dbraw/zinc/85/68/08/564856808.db2.gz BLSQFLLZRLJNCZ-CABCVRRESA-N 1 0 376.444 2.674 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)C(=O)N[C@H]2CCSc3ccc(Cl)cc32)CC[N@@H+]1C ZINC000557208709 564858556 /nfs/dbraw/zinc/85/85/56/564858556.db2.gz BZMUXRGCHVWGSW-KYOSRNDESA-N 1 0 381.929 2.592 20 0 GFADRO Cc1cc(S(=O)(=O)NCCC[C@@H]2CCC[NH2+]2)c(F)cc1Br ZINC000582725045 564858752 /nfs/dbraw/zinc/85/87/52/564858752.db2.gz CUIPNFMTTYCREL-NSHDSACASA-N 1 0 379.295 2.707 20 0 GFADRO COCCNS(=O)(=O)c1ccc(C[NH2+][C@H](C)CCc2ccsc2)cc1 ZINC000462795411 564858882 /nfs/dbraw/zinc/85/88/82/564858882.db2.gz BMABHYVGUIIUQY-OAHLLOKOSA-N 1 0 382.551 2.784 20 0 GFADRO O=C(NC[C@@H]1CC[N@@H+]1C1CCCC1)c1cc(Br)cc2[nH]c(=O)[nH]c21 ZINC000530026426 564860639 /nfs/dbraw/zinc/86/06/39/564860639.db2.gz IEWLSBVFIMYMJI-LBPRGKRZSA-N 1 0 393.285 2.778 20 0 GFADRO CC(=O)N1CCC(C(=O)N[C@@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)CC1 ZINC000530031325 564860788 /nfs/dbraw/zinc/86/07/88/564860788.db2.gz GDDQBORFRBZZKV-KRWDZBQOSA-N 1 0 386.323 2.971 20 0 GFADRO C[C@H](CNc1c(Br)cccc1S(C)(=O)=O)C[NH+]1CCCC1 ZINC000557509821 564865516 /nfs/dbraw/zinc/86/55/16/564865516.db2.gz BTVCPOAMHCVJCJ-GFCCVEGCSA-N 1 0 375.332 2.996 20 0 GFADRO Cc1ccc(S(=O)(=O)NCCNc2nccc(C)c2Br)cc1 ZINC000557529511 564866130 /nfs/dbraw/zinc/86/61/30/564866130.db2.gz JSSSZFZWZAIZDZ-UHFFFAOYSA-N 1 0 384.299 2.851 20 0 GFADRO CC(C)[N@H+](C)C[C@@H](C)NC(=O)NCC(=O)Nc1cc(Cl)ccc1Cl ZINC000557556570 564867394 /nfs/dbraw/zinc/86/73/94/564867394.db2.gz DDYYCAVDABYKQQ-LLVKDONJSA-N 1 0 375.300 2.960 20 0 GFADRO COc1ccc(Br)cc1NC(=O)N1C[C@@H](SC)[C@@H]([NH+](C)C)C1 ZINC000497675534 564873436 /nfs/dbraw/zinc/87/34/36/564873436.db2.gz FXCRXPZJOXVDIU-GXTWGEPZSA-N 1 0 388.331 2.967 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)C[NH2+]Cc1cccc(C(N)=O)c1 ZINC000557755031 564875026 /nfs/dbraw/zinc/87/50/26/564875026.db2.gz GEBIKRKQYZXBKT-UHFFFAOYSA-N 1 0 376.254 2.585 20 0 GFADRO CC(C)[C@H]([NH2+][C@@H](C)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)c1ccc(Cl)cc1 ZINC000557756410 564875328 /nfs/dbraw/zinc/87/53/28/564875328.db2.gz HTRKXJUELOLBIL-XKQJLSEDSA-N 1 0 386.945 2.661 20 0 GFADRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1cnnn1-c1c(Cl)cccc1Cl ZINC000530322380 564875998 /nfs/dbraw/zinc/87/59/98/564875998.db2.gz BWNLKNAKEXYYFF-IINYFYTJSA-N 1 0 380.279 2.787 20 0 GFADRO C[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2cc(Br)cc3cccnc32)C1 ZINC000557820916 564878952 /nfs/dbraw/zinc/87/89/52/564878952.db2.gz ROOPQZHWIJHVNE-LBPRGKRZSA-N 1 0 398.326 2.617 20 0 GFADRO Cc1c([C@@H](C)[NH2+]CCc2cncn2C)nnn1-c1cccc(Br)c1 ZINC000530513185 564885760 /nfs/dbraw/zinc/88/57/60/564885760.db2.gz PBXPUNPXWHVCGZ-GFCCVEGCSA-N 1 0 389.301 2.965 20 0 GFADRO C[C@H]1C[NH+](CCCNC(=O)COc2cc(Cl)cc(Cl)c2)C[C@H](C)O1 ZINC000498041150 564886054 /nfs/dbraw/zinc/88/60/54/564886054.db2.gz HSKKGMOFHQHUFP-STQMWFEESA-N 1 0 375.296 2.988 20 0 GFADRO Cc1cc(Br)c(O)c(NC(=O)c2cnn([C@@H]3CCC[NH2+]C3)c2)c1 ZINC000583375745 564888148 /nfs/dbraw/zinc/88/81/48/564888148.db2.gz YSYOMYRFESQDIB-GFCCVEGCSA-N 1 0 379.258 2.836 20 0 GFADRO [NH3+][C@@H](CC(F)F)C(=O)N1CCC[C@H]1C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000498206527 564891705 /nfs/dbraw/zinc/89/17/05/564891705.db2.gz HYRNCTHXBCQAKA-RYUDHWBXSA-N 1 0 380.222 2.905 20 0 GFADRO O=C(CNC(=O)c1ccc(Cl)cc1Cl)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000583477971 564894285 /nfs/dbraw/zinc/89/42/85/564894285.db2.gz LCCYZYUHDMIRAE-CQSZACIVSA-N 1 0 384.307 2.856 20 0 GFADRO CC(C)C[C@@H](CNC(=O)c1cc(Br)c2c(c1)OCCO2)[NH+](C)C ZINC000498298437 564894494 /nfs/dbraw/zinc/89/44/94/564894494.db2.gz RWFFMDAFDYFVJZ-ZDUSSCGKSA-N 1 0 385.302 2.926 20 0 GFADRO CN(C)c1nc2sc(C(=O)N3CCC(OCC[NH+](C)C)CC3)cc2s1 ZINC000498327104 564895258 /nfs/dbraw/zinc/89/52/58/564895258.db2.gz YNPXNJNFDFPKEN-UHFFFAOYSA-N 1 0 382.555 2.607 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)[C@@H]1CS[C@]2(C)CCC(=O)N12)c1ccc(Cl)cc1 ZINC000530829173 564895957 /nfs/dbraw/zinc/89/59/57/564895957.db2.gz BUZRJSZOMNZXDO-RVKKMQEKSA-N 1 0 381.929 2.513 20 0 GFADRO COCc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1ccc(Br)c(F)c1)CC2 ZINC000583516154 564895991 /nfs/dbraw/zinc/89/59/91/564895991.db2.gz MVHCUGJYOYVNRX-JQWIXIFHSA-N 1 0 383.265 2.992 20 0 GFADRO C[C@@H](CC(=O)OC(C)(C)C)[NH2+][C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000558259584 564897027 /nfs/dbraw/zinc/89/70/27/564897027.db2.gz UIQFSRHCRQRHPU-UONOGXRCSA-N 1 0 388.555 2.611 20 0 GFADRO O=S1(=O)CCC(C[NH2+][C@@H]2CCc3c2ccc(F)c3Br)CC1 ZINC000583733492 564904958 /nfs/dbraw/zinc/90/49/58/564904958.db2.gz LYHJVTZCOBFYIX-CQSZACIVSA-N 1 0 376.291 2.990 20 0 GFADRO O=C(CC[N@@H+]1CCCC[C@H]1[C@@H]1CNC(=O)C1)Nc1ccccc1Br ZINC000583798593 564908009 /nfs/dbraw/zinc/90/80/09/564908009.db2.gz RVBQFWOEQHPFSU-BBRMVZONSA-N 1 0 394.313 2.768 20 0 GFADRO Cc1cc(N2CCC[C@H]([N@@H+]3CC[C@@H]([C@H](C)O)C3)C2=O)ccc1Br ZINC000464490783 564908349 /nfs/dbraw/zinc/90/83/49/564908349.db2.gz OUBRPNIONASXDZ-VBQJREDUSA-N 1 0 381.314 2.956 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)N[C@@H](C)C[N@@H+](C)C(C)C ZINC000558615778 564908707 /nfs/dbraw/zinc/90/87/07/564908707.db2.gz QAYCUBMEFPRSSN-ZDUSSCGKSA-N 1 0 399.333 2.724 20 0 GFADRO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)CCc1cccc(Br)c1 ZINC000498773784 564908936 /nfs/dbraw/zinc/90/89/36/564908936.db2.gz AJJNARSLXLQHMT-UHFFFAOYSA-N 1 0 396.373 2.866 20 0 GFADRO Cc1sc(Br)c(C(=O)NCCCC[NH+]2CCN(C)CC2)c1C ZINC000558653288 564909452 /nfs/dbraw/zinc/90/94/52/564909452.db2.gz MVDQXGWYEARPIN-UHFFFAOYSA-N 1 0 388.375 2.885 20 0 GFADRO C[C@H](NC(=O)NCC[NH+]1CCC1)c1nc(-c2ccc(Br)cc2)no1 ZINC000558644677 564910017 /nfs/dbraw/zinc/91/00/17/564910017.db2.gz RLIIWICCUXARBL-NSHDSACASA-N 1 0 394.273 2.565 20 0 GFADRO CC(C)Sc1cccc(Cl)c1C[NH2+]CC1(O)CCS(=O)(=O)CC1 ZINC000583862587 564911084 /nfs/dbraw/zinc/91/10/84/564911084.db2.gz QPHKXSXLLXRLSG-UHFFFAOYSA-N 1 0 377.959 2.870 20 0 GFADRO CC1CC[NH+](CCN2CCNC(=O)[C@H]2c2cccc(Br)c2)CC1 ZINC000498907141 564912114 /nfs/dbraw/zinc/91/21/14/564912114.db2.gz ZWXADCSGVLGBJK-QGZVFWFLSA-N 1 0 380.330 2.654 20 0 GFADRO CC(C)(Cc1ccc(C(F)(F)F)cc1)[NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000558735004 564912952 /nfs/dbraw/zinc/91/29/52/564912952.db2.gz OBHDMODWAWVDSL-AWEZNQCLSA-N 1 0 378.460 2.898 20 0 GFADRO COC(=O)CCN(Cc1cccc(Br)c1)C(=O)[C@@H](C)[NH+]1CC(C)C1 ZINC000584004045 564916302 /nfs/dbraw/zinc/91/63/02/564916302.db2.gz XDIDSENVKQJJKO-CQSZACIVSA-N 1 0 397.313 2.681 20 0 GFADRO Cc1cc(NC(=O)C(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)sn1 ZINC000499063436 564916679 /nfs/dbraw/zinc/91/66/79/564916679.db2.gz KZTKRGLPPVWJHB-SWLSCSKDSA-N 1 0 378.523 2.651 20 0 GFADRO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CC1(C(N)=O)CCCC1 ZINC000531712751 564918350 /nfs/dbraw/zinc/91/83/50/564918350.db2.gz DKILSTLCTAYYTJ-GFCCVEGCSA-N 1 0 382.302 2.802 20 0 GFADRO CC[N@@H+]1C[C@@H](C)N(C(=O)Cc2cc3c(cc2Br)OCCO3)C[C@@H]1C ZINC000499109858 564918633 /nfs/dbraw/zinc/91/86/33/564918633.db2.gz IXLAJJHUPAWNAW-QWHCGFSZSA-N 1 0 397.313 2.704 20 0 GFADRO CC[NH+](CC)[C@@H]1CCN(CCS(=O)(=O)c2ccc(Br)cc2)C1 ZINC000464781450 564918903 /nfs/dbraw/zinc/91/89/03/564918903.db2.gz VGTBHYIOOACEBE-OAHLLOKOSA-N 1 0 389.359 2.639 20 0 GFADRO O=S(=O)(c1c(Cl)cccc1Br)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000584113326 564921471 /nfs/dbraw/zinc/92/14/71/564921471.db2.gz MTRLNCNSENBVSG-AWEZNQCLSA-N 1 0 393.734 2.867 20 0 GFADRO C[C@H](CNC(=O)c1cc(Br)cnc1N(C)C)[N@@H+]1CCCC[C@H]1C ZINC000499390532 564925699 /nfs/dbraw/zinc/92/56/99/564925699.db2.gz PFRIUXUJXFQQQG-CHWSQXEVSA-N 1 0 383.334 2.903 20 0 GFADRO C[C@](CO)([NH2+]C[C@H](O)Cc1ccc(F)cc1)c1ccc(Br)cc1 ZINC000559242954 564927445 /nfs/dbraw/zinc/92/74/45/564927445.db2.gz FXQGMEURJVUXHR-QZTJIDSGSA-N 1 0 382.273 2.989 20 0 GFADRO CC[NH+]1CCC(NC(=O)NC[C@@H](C)Oc2cccc(Br)c2)CC1 ZINC000465437378 564928145 /nfs/dbraw/zinc/92/81/45/564928145.db2.gz WEQLFBVIUPJVJA-CYBMUJFWSA-N 1 0 384.318 3.000 20 0 GFADRO C[C@H]1CCC[N@H+](CCNC(=O)C2(c3cccc(Br)c3)CC(=O)C2)C1 ZINC000559267286 564928512 /nfs/dbraw/zinc/92/85/12/564928512.db2.gz MYUUFDQJIMIQRH-AWEZNQCLSA-N 1 0 393.325 2.898 20 0 GFADRO C[NH+](C)Cc1ccc(C(=O)NCCOc2cccc(Br)c2)cn1 ZINC000559270961 564928804 /nfs/dbraw/zinc/92/88/04/564928804.db2.gz VWLAYTCHRVIHDN-UHFFFAOYSA-N 1 0 378.270 2.715 20 0 GFADRO CN(C)c1ncccc1C[NH2+]C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000584286443 564928817 /nfs/dbraw/zinc/92/88/17/564928817.db2.gz PKHATGITDVRJJL-HNNXBMFYSA-N 1 0 398.276 2.579 20 0 GFADRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)c2c(F)cccc2I)C1 ZINC000532111251 564929501 /nfs/dbraw/zinc/92/95/01/564929501.db2.gz ZELHEUYNGRFCRP-NSHDSACASA-N 1 0 390.240 2.890 20 0 GFADRO COc1ccc(Br)c(CNC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000465658129 564930678 /nfs/dbraw/zinc/93/06/78/564930678.db2.gz JNDMAFDYEDGNFU-KGLIPLIRSA-N 1 0 382.302 2.836 20 0 GFADRO C[C@H]1CC[N@H+](CCNC(=O)c2ccc(F)c(I)c2)C1 ZINC000532165625 564931335 /nfs/dbraw/zinc/93/13/35/564931335.db2.gz UWFBXFIWSNWBTJ-JTQLQIEISA-N 1 0 376.213 2.502 20 0 GFADRO COCCC[N@H+](C)CCNC(=O)NC(C)(C)c1ccc(Br)cc1 ZINC000465694232 564931546 /nfs/dbraw/zinc/93/15/46/564931546.db2.gz XZGKHBYJTMYBPI-UHFFFAOYSA-N 1 0 386.334 2.952 20 0 GFADRO CC[N@H+](CCNC(=O)C(=O)N[C@H](C)c1cc(F)c(Cl)cc1Cl)C1CC1 ZINC000559409287 564931962 /nfs/dbraw/zinc/93/19/62/564931962.db2.gz KXHDNIKJWSDLIX-SNVBAGLBSA-N 1 0 390.286 2.910 20 0 GFADRO CC[NH+](CC)[C@@H]1CCN(C(=O)NCCOc2ccc(Br)cc2)C1 ZINC000465789847 564932169 /nfs/dbraw/zinc/93/21/69/564932169.db2.gz VWQPHYYNXRXPDD-OAHLLOKOSA-N 1 0 384.318 2.954 20 0 GFADRO CC(C)[C@H]1C[N@H+](Cc2cc(=O)n3cc(Br)ccc3n2)CCCO1 ZINC000559498707 564934461 /nfs/dbraw/zinc/93/44/61/564934461.db2.gz XZAIOPLDVDKVIF-OAHLLOKOSA-N 1 0 380.286 2.704 20 0 GFADRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NCCc1ccc(F)c(Br)c1 ZINC000466222890 564936201 /nfs/dbraw/zinc/93/62/01/564936201.db2.gz HFYIFCZDRRYFGX-BZNIZROVSA-N 1 0 384.293 2.913 20 0 GFADRO C[C@@H]1[C@H](NC(=O)C(=O)Nc2cc(Cl)ccc2C(F)(F)F)CCC[N@@H+]1C ZINC000499810781 564937544 /nfs/dbraw/zinc/93/75/44/564937544.db2.gz JXDYAINYBHBTAH-BXKDBHETSA-N 1 0 377.794 2.896 20 0 GFADRO Cc1ccc(S(=O)(=O)NCC[NH2+]Cc2cccc3c2OC(C)(C)C3)s1 ZINC000532497528 564939270 /nfs/dbraw/zinc/93/92/70/564939270.db2.gz KKBODXXKZSDHCH-UHFFFAOYSA-N 1 0 380.535 2.838 20 0 GFADRO C[NH+](C)CC1(CNC(=O)C(=O)NCc2c(Cl)cccc2Cl)CCCC1 ZINC000559800942 564940544 /nfs/dbraw/zinc/94/05/44/564940544.db2.gz LUFPYQWFRKDOTC-UHFFFAOYSA-N 1 0 386.323 2.848 20 0 GFADRO CN(CCC[NH+]1CCCC1)C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000499960031 564941965 /nfs/dbraw/zinc/94/19/65/564941965.db2.gz ZQQVYOJCULBUDZ-MRXNPFEDSA-N 1 0 389.309 2.746 20 0 GFADRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N1CCc2c(Br)cccc2C1 ZINC000466757736 564947090 /nfs/dbraw/zinc/94/70/90/564947090.db2.gz WSNRDDONHIKCPT-SJCJKPOMSA-N 1 0 378.314 3.000 20 0 GFADRO C[C@H]1CCNC(=O)[C@@H]1[NH2+]Cc1ccc(I)cc1Cl ZINC000500376049 564951815 /nfs/dbraw/zinc/95/18/15/564951815.db2.gz KDDKKXWJKHOOCS-QPUJVOFHSA-N 1 0 378.641 2.559 20 0 GFADRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)c1cccc(F)c1I ZINC000533085843 564953872 /nfs/dbraw/zinc/95/38/72/564953872.db2.gz URGSKHYQGUCSMZ-JTQLQIEISA-N 1 0 388.224 2.644 20 0 GFADRO C[C@H](C[NH2+][C@H]1CCC[C@H]1CNS(C)(=O)=O)c1cccc(Br)c1 ZINC000500497438 564955377 /nfs/dbraw/zinc/95/53/77/564955377.db2.gz KINKHXVXERSMKQ-INWMFGNUSA-N 1 0 389.359 2.860 20 0 GFADRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NS(=O)(=O)c1cncc(Cl)c1 ZINC000533175806 564956704 /nfs/dbraw/zinc/95/67/04/564956704.db2.gz SVTGSGLJFZOKLA-KSSFIOAISA-N 1 0 379.913 2.924 20 0 GFADRO CC[C@@H](Cc1ccccc1Br)C(=O)N1CCN(CC[NH+](C)C)CC1 ZINC000467172503 564957848 /nfs/dbraw/zinc/95/78/48/564957848.db2.gz YASVJBKKSXGHMA-INIZCTEOSA-N 1 0 396.373 2.724 20 0 GFADRO CCC[N@@H+](CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1)CC(C)C ZINC000533251180 564958765 /nfs/dbraw/zinc/95/87/65/564958765.db2.gz MFLGQZHIFNZPSL-UHFFFAOYSA-N 1 0 389.949 2.897 20 0 GFADRO CCC[N@H+](C)C[C@H]1CCN(Cc2cc(=O)n3cc(Br)ccc3n2)C1 ZINC000533310130 564960546 /nfs/dbraw/zinc/96/05/46/564960546.db2.gz IIPLVQGMLCRKCP-CQSZACIVSA-N 1 0 393.329 2.621 20 0 GFADRO CNS(=O)(=O)[C@H]1CCC[N@H+](CC/C=C\c2ccc(Br)cc2)C1 ZINC000533382106 564961309 /nfs/dbraw/zinc/96/13/09/564961309.db2.gz BAGZBCBRMMAOPR-ASKPUQFJSA-N 1 0 387.343 2.866 20 0 GFADRO CC1(C)[C@H]([NH2+]CCCNS(=O)(=O)c2ccccc2Cl)[C@@H]2CCCO[C@@H]21 ZINC000467408703 564962361 /nfs/dbraw/zinc/96/23/61/564962361.db2.gz YHXGKYTUDBIDRP-XKQJLSEDSA-N 1 0 386.945 2.802 20 0 GFADRO O=c1cc(C[N@@H+]2CCC[C@@H]([C@@H]3CCOC3)C2)nc2ccc(Br)cn12 ZINC000533539059 564964700 /nfs/dbraw/zinc/96/47/00/564964700.db2.gz PBGKJDFWFNKYOP-ZIAGYGMSSA-N 1 0 392.297 2.706 20 0 GFADRO C[C@@](CO)([NH2+]Cc1cnc(N2CCCC2)nc1)c1ccc(Br)cc1 ZINC000560501378 564965631 /nfs/dbraw/zinc/96/56/31/564965631.db2.gz OEJXQIILUDBBAQ-SFHVURJKSA-N 1 0 391.313 2.837 20 0 GFADRO CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+][C@H](CO)c2ccc(Br)c(F)c2)C1 ZINC000560533450 564966698 /nfs/dbraw/zinc/96/66/98/564966698.db2.gz IVCXFJHYWPUUET-YWPYICTPSA-N 1 0 394.306 2.567 20 0 GFADRO C[C@H]1[C@@H]([NH2+]Cc2ccc(OC(F)F)c(Br)c2)CCS1(=O)=O ZINC000560564887 564968175 /nfs/dbraw/zinc/96/81/75/564968175.db2.gz PQYBHWVSOCDFIL-KWQFWETISA-N 1 0 384.242 2.716 20 0 GFADRO C[C@@H]([NH2+]C[C@H]1CCCCN1S(C)(=O)=O)c1cc(Br)cs1 ZINC000560580817 564969265 /nfs/dbraw/zinc/96/92/65/564969265.db2.gz NYHONXGOHCAAPC-ZYHUDNBSSA-N 1 0 381.361 2.975 20 0 GFADRO C[C@@H]1COCC[C@@H]1C[NH2+][C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000560582851 564969277 /nfs/dbraw/zinc/96/92/77/564969277.db2.gz KCONQTBTWRTREP-LALPHHSUSA-N 1 0 388.327 2.930 20 0 GFADRO CC(=O)N[C@H](CC(=O)NC1(C[NH+](C)C)CCC1)c1ccc(Br)cc1 ZINC000467723484 564970148 /nfs/dbraw/zinc/97/01/48/564970148.db2.gz DWWMMSDTLFXBQZ-MRXNPFEDSA-N 1 0 396.329 2.617 20 0 GFADRO C[N@H+](CCNC(=O)C(=O)NCCc1cc(Cl)cc(Cl)c1)C1CCCC1 ZINC000560675252 564971567 /nfs/dbraw/zinc/97/15/67/564971567.db2.gz PLHXTIXDAFCGOZ-UHFFFAOYSA-N 1 0 386.323 2.643 20 0 GFADRO C[NH+](C)CCN1C[C@H](C(=O)NC2(c3ccc(Cl)c(Cl)c3)CC2)CC1=O ZINC000467832842 564973492 /nfs/dbraw/zinc/97/34/92/564973492.db2.gz VIVLYEOFJBUXFY-GFCCVEGCSA-N 1 0 384.307 2.509 20 0 GFADRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)Nc2cncc(Br)c2)C1 ZINC000533855673 564974036 /nfs/dbraw/zinc/97/40/36/564974036.db2.gz OAQCJAPDAOQCHL-OAHLLOKOSA-N 1 0 385.306 2.809 20 0 GFADRO CC[NH+](CC)C[C@H](C)NC(=O)CCNC(=O)Nc1ccc(Br)cc1 ZINC000501259363 564975165 /nfs/dbraw/zinc/97/51/65/564975165.db2.gz SFSSMVLJKKMDRE-ZDUSSCGKSA-N 1 0 399.333 2.807 20 0 GFADRO CSC1(CNC(=O)Cc2cscc2Br)CC[NH+](C)CC1 ZINC000560841015 564977777 /nfs/dbraw/zinc/97/77/77/564977777.db2.gz VHWOKTPEILTTSN-UHFFFAOYSA-N 1 0 377.373 2.997 20 0 GFADRO CS(=O)(=O)NCCC[NH2+][C@H]1CCc2c1cc(Br)cc2Cl ZINC000534059668 564978761 /nfs/dbraw/zinc/97/87/61/564978761.db2.gz QRPQRZPUNJANCA-ZDUSSCGKSA-N 1 0 381.723 2.619 20 0 GFADRO CN(C)S(=O)(=O)N1CCC[C@@H]([NH2+][C@@H]2CC[C@@H](c3cccc(Cl)c3)C2)C1 ZINC000560897041 564979401 /nfs/dbraw/zinc/97/94/01/564979401.db2.gz SEODJVBVTARGNP-KBAYOESNSA-N 1 0 385.961 2.837 20 0 GFADRO CC[NH+](CC)[C@@H](CNC(=O)NCc1ccc(S(C)(=O)=O)s1)CC(C)C ZINC000468461898 564984155 /nfs/dbraw/zinc/98/41/55/564984155.db2.gz UNHSEGUPLGIRFK-CQSZACIVSA-N 1 0 389.587 2.707 20 0 GFADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)Cn1cc(Cl)cn1 ZINC000501745364 564985620 /nfs/dbraw/zinc/98/56/20/564985620.db2.gz JLSYZFONUHYNLO-UHFFFAOYSA-N 1 0 399.720 2.889 20 0 GFADRO C[C@@]1(CNC(=O)N[C@H]2CCN(c3cccc(Br)c3)C2)CCC[NH2+]C1 ZINC000561203205 564987603 /nfs/dbraw/zinc/98/76/03/564987603.db2.gz SLRZENAATIQZBH-MAUKXSAKSA-N 1 0 395.345 2.717 20 0 GFADRO COC1CC[NH+](C(C)(C)CNS(=O)(=O)Cc2ccc(F)c(Cl)c2)CC1 ZINC000534424261 564989129 /nfs/dbraw/zinc/98/91/29/564989129.db2.gz RDNYKYRTEZYDLN-UHFFFAOYSA-N 1 0 392.924 2.788 20 0 GFADRO C[C@@H](O)C[N@@H+]1CCN(Cc2cccc(Br)c2OC(F)F)[C@@H](C)C1 ZINC000502000702 564989605 /nfs/dbraw/zinc/98/96/05/564989605.db2.gz LSJYKRNBVQOCEJ-NWDGAFQWSA-N 1 0 393.272 2.937 20 0 GFADRO COC(=O)c1cn(CC[NH2+][C@H]2C[C@H](C)c3c2cccc3Br)nn1 ZINC000561298248 564989759 /nfs/dbraw/zinc/98/97/59/564989759.db2.gz KVAZYFXFBROUKC-GWCFXTLKSA-N 1 0 379.258 2.665 20 0 GFADRO C[N@@H+]1CCCN(C(=O)[C@@H](c2ccc(Cl)cc2Cl)N2CCOCC2)CC1 ZINC000534601591 564992546 /nfs/dbraw/zinc/99/25/46/564992546.db2.gz KTMIFQYLFQOOSX-QGZVFWFLSA-N 1 0 386.323 2.531 20 0 GFADRO C[C@@H](C[NH+]1CCCCCC1)NC(=O)NCCCn1cc(Br)cn1 ZINC000502124297 564992679 /nfs/dbraw/zinc/99/26/79/564992679.db2.gz YJTSWFLZGGBMKU-AWEZNQCLSA-N 1 0 386.338 2.599 20 0 GFADRO Ic1ccc(OCC[NH2+]Cc2c[nH]c3nccnc23)cc1 ZINC000561411084 564994439 /nfs/dbraw/zinc/99/44/39/564994439.db2.gz CTGXGEGBDUUANE-UHFFFAOYSA-N 1 0 394.216 2.683 20 0 GFADRO CS[C@@H]1CN(C(=O)c2cn(-c3ccc(Cl)cc3)nc2C)C[C@@H]1[NH+](C)C ZINC000534827118 564997011 /nfs/dbraw/zinc/99/70/11/564997011.db2.gz BTMXNVRLMICRFC-DLBZAZTESA-N 1 0 378.929 2.952 20 0 GFADRO C[NH+](C)C[C@@](C)(O)CNC(=O)N[C@H](c1ccc(Br)cc1)C1CCC1 ZINC000502510244 565000509 /nfs/dbraw/zinc/00/05/09/565000509.db2.gz ORYMBRXMWBSBAI-WMZOPIPTSA-N 1 0 398.345 2.902 20 0 GFADRO CCc1[nH]nc(C(=O)Nc2cccc(OCC[NH+](C)C)c2)c1Br ZINC000468980425 565001801 /nfs/dbraw/zinc/00/18/01/565001801.db2.gz MMRYVJFCRXRAQU-UHFFFAOYSA-N 1 0 381.274 2.927 20 0 GFADRO CS(=O)(=O)[C@H]1CCC[N@H+](CCC(=O)Nc2ccc(Cl)cc2F)CC1 ZINC000502791085 565005010 /nfs/dbraw/zinc/00/50/10/565005010.db2.gz OLHIQSRBDPPKQK-ZDUSSCGKSA-N 1 0 376.881 2.707 20 0 GFADRO COc1ccc(CCC(=O)N(C)[C@@H](C)CN2CCOCC2)cc1Br ZINC000469129043 565006068 /nfs/dbraw/zinc/00/60/68/565006068.db2.gz SAMOWOSLYPATBP-AWEZNQCLSA-N 1 0 399.329 2.569 20 0 GFADRO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)C[NH2+][C@@H]1CCC[C@@H]1CCO ZINC000502867396 565007700 /nfs/dbraw/zinc/00/77/00/565007700.db2.gz CVAVXBNTXHPXBS-QMTHXVAHSA-N 1 0 389.279 2.859 20 0 GFADRO C[N@@H+]1CC[C@@]2(CCN(C(=O)c3cc(=O)[nH]c4c(Br)cccc34)C2)C1 ZINC000561764987 565007815 /nfs/dbraw/zinc/00/78/15/565007815.db2.gz NAOGHZOPXNTZCO-GOSISDBHSA-N 1 0 390.281 2.871 20 0 GFADRO CC[N@H+](CCNC(=O)N[C@@H]1CCN(c2ccc(Br)cc2)C1)C1CC1 ZINC000502935820 565009411 /nfs/dbraw/zinc/00/94/11/565009411.db2.gz VKRSQSAAUZMXQQ-OAHLLOKOSA-N 1 0 395.345 2.811 20 0 GFADRO CC[NH+](CC)CCNC(=O)N[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000502940754 565009457 /nfs/dbraw/zinc/00/94/57/565009457.db2.gz MLVYPHCDZZXIMC-HNNXBMFYSA-N 1 0 383.334 2.669 20 0 GFADRO C[C@H]([NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1)C(=O)NC[C@H]1CCS(=O)(=O)C1 ZINC000561826619 565010409 /nfs/dbraw/zinc/01/04/09/565010409.db2.gz DHDWLFFBOAFRQR-SDDRHHMPSA-N 1 0 393.336 2.583 20 0 GFADRO CCCN(CC[NH+]1CCCCCC1)C(=O)Cn1cc(Br)ccc1=O ZINC000561853232 565011226 /nfs/dbraw/zinc/01/12/26/565011226.db2.gz WJZMYPUUNFGWGW-UHFFFAOYSA-N 1 0 398.345 2.725 20 0 GFADRO C[C@@H]1CC[N@H+](C)CCN1C(=O)NCCC(=O)Nc1ccc(Br)cc1 ZINC000503079475 565011428 /nfs/dbraw/zinc/01/14/28/565011428.db2.gz BDQRWZLSVRDJKD-CYBMUJFWSA-N 1 0 397.317 2.513 20 0 GFADRO CCOc1c(Cl)cc(NC(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)cc1Cl ZINC000469337247 565014125 /nfs/dbraw/zinc/01/41/25/565014125.db2.gz UARIVQRTMUPGFM-NSHDSACASA-N 1 0 388.295 2.741 20 0 GFADRO C[C@H](CNC(=O)c1cc[nH]c(=O)c1Br)[N@H+](C)Cc1ccccc1 ZINC000469380260 565015483 /nfs/dbraw/zinc/01/54/83/565015483.db2.gz AISMRGSLXXEKGE-GFCCVEGCSA-N 1 0 378.270 2.800 20 0 GFADRO CC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CC(=O)Nc3ccc(Br)cc32)C1 ZINC000469477664 565018608 /nfs/dbraw/zinc/01/86/08/565018608.db2.gz IVGOWOXPCSXNCA-IUODEOHRSA-N 1 0 394.313 2.675 20 0 GFADRO C[C@H]1CC[N@H+](CCNC(=O)c2cn(-c3ccc(Br)cc3)cn2)C1 ZINC000535913336 565024334 /nfs/dbraw/zinc/02/43/34/565024334.db2.gz HPTNQKRSOOXOPC-ZDUSSCGKSA-N 1 0 377.286 2.706 20 0 GFADRO CC[NH+](CC)CCN(CCOC)S(=O)(=O)Cc1ccc(F)c(Cl)c1 ZINC000535915755 565024784 /nfs/dbraw/zinc/02/47/84/565024784.db2.gz WRFVICZOTUGTPG-UHFFFAOYSA-N 1 0 380.913 2.599 20 0 GFADRO C[C@@H](CC[NH+](C)C)NC(=O)C1(c2ccc(I)cc2)CC1 ZINC000503617874 565024943 /nfs/dbraw/zinc/02/49/43/565024943.db2.gz MMNFSPXKNUDYQT-LBPRGKRZSA-N 1 0 386.277 2.779 20 0 GFADRO CC[C@H](C[N@H+](C)[C@@H](C)C(=O)NC(=O)NC)Oc1ccc(Cl)c(Cl)c1 ZINC000469752556 565025997 /nfs/dbraw/zinc/02/59/97/565025997.db2.gz NVNWQHBNAFKCAO-WDEREUQCSA-N 1 0 376.284 2.927 20 0 GFADRO COc1cc(Br)cc(C)c1NC(=O)NCCNc1cc[nH+]cc1 ZINC000536019405 565027497 /nfs/dbraw/zinc/02/74/97/565027497.db2.gz XGNMXDSSASKAII-UHFFFAOYSA-N 1 0 379.258 2.817 20 0 GFADRO C[C@H](CNC(=O)N[C@@H](C)c1ncc(Br)cn1)C[NH+]1CCCCC1 ZINC000562395940 565027606 /nfs/dbraw/zinc/02/76/06/565027606.db2.gz QNXHFPWZJIUKOI-OLZOCXBDSA-N 1 0 384.322 2.721 20 0 GFADRO OCCOC1(C[NH2+][C@@H]2CCc3c2c(Br)ccc3F)CCOCC1 ZINC000503868385 565029929 /nfs/dbraw/zinc/02/99/29/565029929.db2.gz BEWKYQJFAWUIRA-OAHLLOKOSA-N 1 0 388.277 2.723 20 0 GFADRO O=C(NCC[NH2+]Cc1ccc(-c2ccc(Br)cc2)o1)c1ccn[nH]1 ZINC000503913295 565031370 /nfs/dbraw/zinc/03/13/70/565031370.db2.gz PBPXTCUYGGXDHP-UHFFFAOYSA-N 1 0 389.253 2.952 20 0 GFADRO CN(CCN1CCOCC1)Cc1ccc(I)cc1Cl ZINC000503921660 565031458 /nfs/dbraw/zinc/03/14/58/565031458.db2.gz XEZQSAVSYCBFKY-UHFFFAOYSA-N 1 0 394.684 2.709 20 0 GFADRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@@H](CO)c1ccc(Br)cc1 ZINC000504059195 565034281 /nfs/dbraw/zinc/03/42/81/565034281.db2.gz DHWLMFIRUHAAGT-CVEARBPZSA-N 1 0 384.318 2.656 20 0 GFADRO CCc1ncc(CNC(=O)NCc2cn3cc(Br)cc(C)c3n2)o1 ZINC000562609843 565035450 /nfs/dbraw/zinc/03/54/50/565035450.db2.gz SBRYNHQYDYJESN-UHFFFAOYSA-N 1 0 392.257 2.955 20 0 GFADRO COc1ccc(Br)c(CC(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)c1 ZINC000470095498 565037946 /nfs/dbraw/zinc/03/79/46/565037946.db2.gz ZTAQNULHAWFPCB-AWEZNQCLSA-N 1 0 399.329 2.617 20 0 GFADRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)c1cc(=O)[nH]c2ccc(Br)cc21 ZINC000536589690 565041790 /nfs/dbraw/zinc/04/17/90/565041790.db2.gz QKROQGNMSUCFOM-GHMZBOCLSA-N 1 0 378.270 2.868 20 0 GFADRO CN1CCC[C@@H]([NH2+]Cc2cc(Br)cc(Br)c2N)C1=O ZINC000470243511 565041857 /nfs/dbraw/zinc/04/18/57/565041857.db2.gz MSHLJIMCTJXMBJ-LLVKDONJSA-N 1 0 391.107 2.504 20 0 GFADRO C[C@H](Cn1cc(Br)cn1)[NH2+][C@H](Cc1ccccc1)[C@H](O)C(F)F ZINC000470256365 565042620 /nfs/dbraw/zinc/04/26/20/565042620.db2.gz URLGXAWQVGEVGG-DFBGVHRSSA-N 1 0 388.256 2.861 20 0 GFADRO C[N@@H+]1CCO[C@@H]2CCN(c3cc(C(F)(F)F)c(Br)cn3)C[C@@H]21 ZINC000563035918 565052606 /nfs/dbraw/zinc/05/26/06/565052606.db2.gz IGXDTNMTFZGNFR-NWDGAFQWSA-N 1 0 380.208 2.772 20 0 GFADRO CC(C)[N@@H+]1CCC[C@H](NC(=O)c2csc(I)c2)C1 ZINC000470692515 565052960 /nfs/dbraw/zinc/05/29/60/565052960.db2.gz GOUJUZSXSWSRQC-NSHDSACASA-N 1 0 378.279 2.955 20 0 GFADRO CS[C@@H]1CN([C@@H](C)C(=O)Nc2ccccc2Br)C[C@@H]1[NH+](C)C ZINC000537272817 565056236 /nfs/dbraw/zinc/05/62/36/565056236.db2.gz FUDCTLXBKGEGDN-TUKIKUTGSA-N 1 0 386.359 2.754 20 0 GFADRO C[C@H](CCC[NH3+])NC(=O)C1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000563117739 565056322 /nfs/dbraw/zinc/05/63/22/565056322.db2.gz VFPBRFMGDVHCQE-CYBMUJFWSA-N 1 0 396.329 2.545 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2Br)C1 ZINC000563119494 565056351 /nfs/dbraw/zinc/05/63/51/565056351.db2.gz BFHNYUNQKNOURZ-MNOVXSKESA-N 1 0 395.750 2.992 20 0 GFADRO Cc1cc(Br)cn2c(CN3C[C@H](C[NH3+])C4(C3)CCOCC4)cnc12 ZINC000563135446 565056985 /nfs/dbraw/zinc/05/69/85/565056985.db2.gz MFVSIPFDTACGTR-AWEZNQCLSA-N 1 0 393.329 2.593 20 0 GFADRO COc1cc(OC)c(S(=O)(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)cc1Cl ZINC000563135264 565057022 /nfs/dbraw/zinc/05/70/22/565057022.db2.gz MHXKMVAVKIAWOA-AWEZNQCLSA-N 1 0 388.917 2.510 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)C1(c2cccc(Br)c2)CC(=O)C1 ZINC000613667055 565077110 /nfs/dbraw/zinc/07/71/10/565077110.db2.gz YROARDCBADBYGG-HZPDHXFCSA-N 1 0 379.298 2.649 20 0 GFADRO O=C(NCC[C@H]1CCC[NH2+]1)[C@H](c1ccc(Br)cc1)N1CCCC1 ZINC000584408835 565078939 /nfs/dbraw/zinc/07/89/39/565078939.db2.gz JNQPUXJPVPGZQY-SJORKVTESA-N 1 0 380.330 2.844 20 0 GFADRO C[NH+](C)CC1(C(=O)N(CCn2ccnc2)Cc2ccc(Br)o2)CC1 ZINC000635916853 565082009 /nfs/dbraw/zinc/08/20/09/565082009.db2.gz QNCQXJGICFWIRH-UHFFFAOYSA-N 1 0 395.301 2.609 20 0 GFADRO C[N@@H+]1CC[C@@H](CC(=O)NC2CCN(Cc3cccc(Br)c3)CC2)C1 ZINC000636035821 565086936 /nfs/dbraw/zinc/08/69/36/565086936.db2.gz VRMFZQOQBMWSPY-INIZCTEOSA-N 1 0 394.357 2.872 20 0 GFADRO O=C(N[C@H]1C[C@@H]([NH+]2CCCC2)C1)c1cnn(-c2cccc(Br)c2)c1 ZINC000636096555 565090356 /nfs/dbraw/zinc/09/03/56/565090356.db2.gz ZABCCBWSHYKRHR-WOVMCDHWSA-N 1 0 389.297 2.991 20 0 GFADRO C[C@@H](Nc1cnc(N2CCOCC2)c(Br)c1)C1CC[NH+](C)CC1 ZINC000684964007 565091474 /nfs/dbraw/zinc/09/14/74/565091474.db2.gz BSMUZEDJSSKVKF-CYBMUJFWSA-N 1 0 383.334 2.823 20 0 GFADRO C[NH+](C)C[C@]1(O)CCCN(C(=O)c2ccc(Cl)cc2Br)C1 ZINC000614066885 565094148 /nfs/dbraw/zinc/09/41/48/565094148.db2.gz LPGYNFRNBFZOGC-OAHLLOKOSA-N 1 0 375.694 2.631 20 0 GFADRO C[NH+](C)C[C@@]1(O)CCCN(C(=O)c2cc3c(cncc3Br)s2)C1 ZINC000614071185 565094504 /nfs/dbraw/zinc/09/45/04/565094504.db2.gz PADCMWBQDXPWEL-INIZCTEOSA-N 1 0 398.326 2.588 20 0 GFADRO CC(C)[N@H+](C)C[C@H](C)NC(=O)C(=O)Nc1cc(F)c(Br)c(F)c1 ZINC000584750598 565094780 /nfs/dbraw/zinc/09/47/80/565094780.db2.gz LXLLOQZNBXZLDZ-VIFPVBQESA-N 1 0 392.244 2.511 20 0 GFADRO O=C(NC[C@@H]1C[NH2+]CCCO1)N(Cc1cccc(Br)c1)CC1CC1 ZINC000584770446 565096036 /nfs/dbraw/zinc/09/60/36/565096036.db2.gz UOBNRGMCMONQDQ-KRWDZBQOSA-N 1 0 396.329 2.749 20 0 GFADRO O=C(NCCC[NH2+]Cc1cnc2n1CCC2)c1ccc(Br)cc1 ZINC000657342304 565097302 /nfs/dbraw/zinc/09/73/02/565097302.db2.gz KBMFTCVLQLZJLE-UHFFFAOYSA-N 1 0 377.286 2.502 20 0 GFADRO O=C(c1cccc(Cl)c1Cl)N1CCN(C(=O)[C@@H]2CCCCC[NH2+]2)CC1 ZINC000584780214 565097708 /nfs/dbraw/zinc/09/77/08/565097708.db2.gz CNUUXYUCWJLJKW-HNNXBMFYSA-N 1 0 384.307 2.810 20 0 GFADRO O=S1(=O)CCCN1CCC[NH2+]Cc1cc2cc(Br)ccc2o1 ZINC000657350745 565098136 /nfs/dbraw/zinc/09/81/36/565098136.db2.gz YQICCOUJSGLFMS-UHFFFAOYSA-N 1 0 387.299 2.711 20 0 GFADRO OC[C@H](C[NH2+]Cc1cn(C2CCC2)nn1)Cc1ccccc1Br ZINC000657447917 565100941 /nfs/dbraw/zinc/10/09/41/565100941.db2.gz TUERSJGUGRPFAS-ZDUSSCGKSA-N 1 0 379.302 2.706 20 0 GFADRO Cc1c(Br)cncc1C[NH2+][C@H]1CCCN(Cc2ccccn2)C1=O ZINC000657432852 565101738 /nfs/dbraw/zinc/10/17/38/565101738.db2.gz WAFSACHCNSHSBE-KRWDZBQOSA-N 1 0 389.297 2.828 20 0 GFADRO COc1ccc(C[C@@H](CO)C[NH2+]Cc2cnc3n2CCC3)cc1Br ZINC000657484344 565103329 /nfs/dbraw/zinc/10/33/29/565103329.db2.gz SGDDRWJDAPKGIG-CQSZACIVSA-N 1 0 394.313 2.541 20 0 GFADRO CC(C)[C@H]([NH2+]CC(=O)N(C)Cc1c(F)cccc1Cl)[C@H](O)C(F)(F)F ZINC000685413177 565105118 /nfs/dbraw/zinc/10/51/18/565105118.db2.gz NIJFMUMUICBVEP-GJZGRUSLSA-N 1 0 384.801 2.975 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+][C@@H]1COC(C)(C)C1 ZINC000657529957 565106088 /nfs/dbraw/zinc/10/60/88/565106088.db2.gz CADXDEOBRWQDDG-FZMZJTMJSA-N 1 0 385.302 2.620 20 0 GFADRO CO[C@@H](C[NH2+]Cc1ncc(Br)cc1Br)[C@@H]1CCOC1 ZINC000657540385 565107230 /nfs/dbraw/zinc/10/72/30/565107230.db2.gz HSSDRCWLOWMBFC-RNCFNFMXSA-N 1 0 394.107 2.748 20 0 GFADRO COc1ccc(Br)cc1C[NH2+]CCC1(CS(C)(=O)=O)CC1 ZINC000657546645 565107358 /nfs/dbraw/zinc/10/73/58/565107358.db2.gz ZMWAHYVEAYBEOS-UHFFFAOYSA-N 1 0 376.316 2.762 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@@H](NCc2cn(-c3ccccc3Br)nn2)C1 ZINC000657561551 565108708 /nfs/dbraw/zinc/10/87/08/565108708.db2.gz BIMSKWCHLSBVKD-CYBMUJFWSA-N 1 0 378.318 2.992 20 0 GFADRO CO[C@](C)(C[NH2+]Cc1ccc(S(C)(=O)=O)s1)COCc1ccccc1 ZINC000657593015 565112060 /nfs/dbraw/zinc/11/20/60/565112060.db2.gz XPFOWFDYVRBAOF-GOSISDBHSA-N 1 0 383.535 2.863 20 0 GFADRO Brc1cc(CN2CCC[N@H+](C[C@H]3CCCO3)CC2)cc2c1OCO2 ZINC000586767635 565114799 /nfs/dbraw/zinc/11/47/99/565114799.db2.gz DRGIDXXBMMLCPE-OAHLLOKOSA-N 1 0 397.313 2.865 20 0 GFADRO Ic1cnc(CNc2cnn(-c3cc[nH+]cc3)c2)s1 ZINC000586776740 565115538 /nfs/dbraw/zinc/11/55/38/565115538.db2.gz COCIQKPUSQSOSB-UHFFFAOYSA-N 1 0 383.218 2.941 20 0 GFADRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)Cc1cccc(I)c1 ZINC000586827674 565118884 /nfs/dbraw/zinc/11/88/84/565118884.db2.gz VCTIAWMUXRVBJQ-CJNGLKHVSA-N 1 0 398.288 2.919 20 0 GFADRO CC[NH+](CC)[C@@H](CNC(=O)NCc1c(Br)cnn1C)c1ccco1 ZINC000636663445 565119341 /nfs/dbraw/zinc/11/93/41/565119341.db2.gz RXVAJXDJYICZNT-AWEZNQCLSA-N 1 0 398.305 2.658 20 0 GFADRO C[C@H](Cn1cncn1)NC(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000636689321 565121012 /nfs/dbraw/zinc/12/10/12/565121012.db2.gz WAUAVNKNOZOTPM-IAQYHMDHSA-N 1 0 385.299 2.576 20 0 GFADRO C[C@@H](CNC(=O)CCn1cc(Br)cn1)[N@@H+]1CCc2ccccc2C1 ZINC000614620649 565123583 /nfs/dbraw/zinc/12/35/83/565123583.db2.gz AGQXPOVMUHMLAK-AWEZNQCLSA-N 1 0 391.313 2.599 20 0 GFADRO CSc1cc(Cl)ccc1NC(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000657737214 565124583 /nfs/dbraw/zinc/12/45/83/565124583.db2.gz JFGUPZZRKAZIBI-WFASDCNBSA-N 1 0 381.929 2.943 20 0 GFADRO CSc1ccc(Cl)c(NC(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c1 ZINC000657738267 565124699 /nfs/dbraw/zinc/12/46/99/565124699.db2.gz PBMNTOGOGKHPLQ-LRDDRELGSA-N 1 0 381.929 2.943 20 0 GFADRO CC(C)(C)N1C[C@H](C[NH2+]Cc2cc3c(c(Br)c2)OCO3)CC1=O ZINC000657751187 565126055 /nfs/dbraw/zinc/12/60/55/565126055.db2.gz GVPBCXURFJXPFA-LBPRGKRZSA-N 1 0 383.286 2.914 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)c1ccc(I)c(F)c1 ZINC000614712722 565129252 /nfs/dbraw/zinc/12/92/52/565129252.db2.gz VVKBTQYZZRYAKA-CHWSQXEVSA-N 1 0 376.213 2.643 20 0 GFADRO CS[C@@H]1CN(C(=O)c2cnc3ncc(Br)cc3c2)C[C@@H]1[NH+](C)C ZINC000614860008 565136816 /nfs/dbraw/zinc/13/68/16/565136816.db2.gz AKQUMIUXPITCJQ-UONOGXRCSA-N 1 0 395.326 2.510 20 0 GFADRO C[NH+](C)C[C@@H](NC(=O)N[C@@H]1CC[C@H](C(N)=O)C1)c1ccc(Cl)c(Cl)c1 ZINC000637204211 565144531 /nfs/dbraw/zinc/14/45/31/565144531.db2.gz LCGCFSHHXHZDGV-YWPYICTPSA-N 1 0 387.311 2.549 20 0 GFADRO COC1([C@@H](C)[NH2+]CCNS(=O)(=O)c2cccc(Cl)c2Cl)CCC1 ZINC000658009503 565144697 /nfs/dbraw/zinc/14/46/97/565144697.db2.gz DLMFOCJOWBYMKS-LLVKDONJSA-N 1 0 381.325 2.819 20 0 GFADRO COc1ccc(Br)cc1C[NH2+][C@@H](CCSC)C(=O)N(C)C ZINC000588931780 565145397 /nfs/dbraw/zinc/14/53/97/565145397.db2.gz KALGAMMZRRILQH-ZDUSSCGKSA-N 1 0 375.332 2.757 20 0 GFADRO COCC[N@H+](C)CCNC(=O)[C@H](C)Oc1ccc(Cl)cc1Br ZINC000588933754 565145718 /nfs/dbraw/zinc/14/57/18/565145718.db2.gz JEBBHXCDCWCTSA-NSHDSACASA-N 1 0 393.709 2.564 20 0 GFADRO O=C(NC[C@@H]1CCC[NH2+]C1)N1CCO[C@H](c2cccc(Br)c2)C1 ZINC000637227165 565145766 /nfs/dbraw/zinc/14/57/66/565145766.db2.gz PDBXHMHEIWCKJK-CJNGLKHVSA-N 1 0 382.302 2.532 20 0 GFADRO COCC[N@H+](C)CCNC(=O)NCC1(c2cccc(Br)c2)CCC1 ZINC000588976129 565146415 /nfs/dbraw/zinc/14/64/15/565146415.db2.gz NYSFNKOUOCLYQB-UHFFFAOYSA-N 1 0 398.345 2.748 20 0 GFADRO CC[C@H](CNS(C)(=O)=O)[NH2+][C@@H](CC)Cc1ccc(Br)cc1 ZINC000658026345 565146786 /nfs/dbraw/zinc/14/67/86/565146786.db2.gz DMDXPLQGIGMUPC-LSDHHAIUSA-N 1 0 377.348 2.688 20 0 GFADRO C[C@H]([NH2+]CCNC(=O)c1ccc(Br)cn1)c1ccc2c(c1)OCO2 ZINC000658093079 565150690 /nfs/dbraw/zinc/15/06/90/565150690.db2.gz SHOZWHHJPQLTIT-NSHDSACASA-N 1 0 392.253 2.653 20 0 GFADRO OCCO[C@]1(C[NH2+][C@H]2CCc3c2cc(Br)cc3Cl)CCOC1 ZINC000658148184 565153109 /nfs/dbraw/zinc/15/31/09/565153109.db2.gz KRJUMSJTROTWTN-HOTGVXAUSA-N 1 0 390.705 2.847 20 0 GFADRO CC(C)[C@@H](Cc1ccc(Br)cc1)[NH2+]C[C@]1(OCCO)CCOC1 ZINC000658146410 565153418 /nfs/dbraw/zinc/15/34/18/565153418.db2.gz UXPOECJDBWMEQK-QZTJIDSGSA-N 1 0 386.330 2.774 20 0 GFADRO CC[C@H](C)[N@H+](C)CCNC(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000589180404 565154478 /nfs/dbraw/zinc/15/44/78/565154478.db2.gz DHFCOVWPSALVMH-KBPBESRZSA-N 1 0 396.329 2.649 20 0 GFADRO Cc1c(Br)ccc(C(=O)N2CCOC[C@H]2[C@H]2CCC[N@H+]2C)c1F ZINC000615270208 565154766 /nfs/dbraw/zinc/15/47/66/565154766.db2.gz PMMHLSIJROECIX-CABCVRRESA-N 1 0 385.277 2.832 20 0 GFADRO C[N@@H+]1CCC[C@@H]1[C@H]1COCCN1C(=O)[C@@H]1CCc2cc(Br)ccc21 ZINC000615276554 565154830 /nfs/dbraw/zinc/15/48/30/565154830.db2.gz SBINBBZQALVXGS-KZNAEPCWSA-N 1 0 393.325 2.801 20 0 GFADRO Cc1c(F)c(Br)ccc1C(=O)N1CCOC[C@H]1[C@H]1CCC[N@H+]1C ZINC000615273295 565155036 /nfs/dbraw/zinc/15/50/36/565155036.db2.gz BMAZQXWPRJGKRX-CABCVRRESA-N 1 0 385.277 2.832 20 0 GFADRO C[C@H]([NH2+]C[C@@]1(C)CC1(F)F)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000658222406 565156403 /nfs/dbraw/zinc/15/64/03/565156403.db2.gz NPNMEMDNOCALTJ-QPUJVOFHSA-N 1 0 383.258 2.792 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000658263691 565157003 /nfs/dbraw/zinc/15/70/03/565157003.db2.gz KVPBFGJNIYUDMY-CQSZACIVSA-N 1 0 396.329 2.939 20 0 GFADRO Cc1cc(Br)cc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)c1 ZINC000658263119 565157274 /nfs/dbraw/zinc/15/72/74/565157274.db2.gz IEMOIELZCNKHFS-CYBMUJFWSA-N 1 0 382.302 2.685 20 0 GFADRO O=C(NC[C@H]1CC[N@@H+]1C1CCCCC1)c1cc2ncc(Br)cn2n1 ZINC000637519851 565160579 /nfs/dbraw/zinc/16/05/79/565160579.db2.gz VBUFGSAMBOAJQT-CQSZACIVSA-N 1 0 392.301 2.629 20 0 GFADRO C[N@H+](CCCO)C1CCN(C(=O)NCc2ccsc2C(F)(F)F)CC1 ZINC000637596243 565163567 /nfs/dbraw/zinc/16/35/67/565163567.db2.gz ZUWAYBASHZBPSN-UHFFFAOYSA-N 1 0 379.448 2.755 20 0 GFADRO CCCOc1ccc(Br)cc1S(=O)(=O)N1CC[NH2+][C@H](C)[C@H]1C ZINC000658378123 565164627 /nfs/dbraw/zinc/16/46/27/565164627.db2.gz LTZXSNXKJRXUTI-VXGBXAGGSA-N 1 0 391.331 2.609 20 0 GFADRO CCCOc1ccc(Br)cc1S(=O)(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000658383981 565165735 /nfs/dbraw/zinc/16/57/35/565165735.db2.gz RKCLAPMADWLUFA-GHMZBOCLSA-N 1 0 379.320 2.642 20 0 GFADRO O=S(=O)(c1ccccc1Br)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000658385090 565165838 /nfs/dbraw/zinc/16/58/38/565165838.db2.gz UWUYAUQHIQVEHR-CQSZACIVSA-N 1 0 387.343 2.849 20 0 GFADRO CCCOc1ccc(Br)cc1S(=O)(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000658381561 565165902 /nfs/dbraw/zinc/16/59/02/565165902.db2.gz UPMCCSHISOXENV-CYBMUJFWSA-N 1 0 391.331 2.658 20 0 GFADRO [NH3+]CCC1CCN(S(=O)(=O)c2cc(Cl)cc(Br)c2)CC1 ZINC000658383341 565165944 /nfs/dbraw/zinc/16/59/44/565165944.db2.gz GEBWMLTXHVPIRL-UHFFFAOYSA-N 1 0 381.723 2.852 20 0 GFADRO C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1c[nH]c3ncc(Br)cc13)C2 ZINC000615607165 565167341 /nfs/dbraw/zinc/16/73/41/565167341.db2.gz WYHNDVWRILGJOD-KRWDZBQOSA-N 1 0 377.286 2.883 20 0 GFADRO O=C(NCC[C@H]1CCC[NH2+]C1)N1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000637770995 565171813 /nfs/dbraw/zinc/17/18/13/565171813.db2.gz PLPDRLVVJUZWRG-RHSMWYFYSA-N 1 0 396.329 2.922 20 0 GFADRO O=C(NCc1ccc(Cl)c(Cl)c1)C(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000658515506 565175736 /nfs/dbraw/zinc/17/57/36/565175736.db2.gz DFDGGZQRUNNURY-CQSZACIVSA-N 1 0 384.307 2.696 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NCc2ccc(Cl)c(Cl)c2)[C@H](C)C1 ZINC000658616437 565177873 /nfs/dbraw/zinc/17/78/73/565177873.db2.gz RSOWEQBUERQWDA-MLGOLLRUSA-N 1 0 386.323 2.798 20 0 GFADRO COc1ccc(CNC(=O)Cc2cccc3c2CC[NH2+]C3)cc1Br ZINC000637972173 565178707 /nfs/dbraw/zinc/17/87/07/565178707.db2.gz MKDWPLZWBRGWAE-UHFFFAOYSA-N 1 0 389.293 2.962 20 0 GFADRO Cc1nccc(C(=O)Nc2cc(Br)ccc2N2CC[NH+](C)CC2)n1 ZINC000615924887 565180938 /nfs/dbraw/zinc/18/09/38/565180938.db2.gz BDYWHMPFQWYKBZ-UHFFFAOYSA-N 1 0 390.285 2.552 20 0 GFADRO OCC[N@H+](Cc1cnn2cc(Br)cnc12)[C@@H]1CCc2ccccc21 ZINC000638079466 565183579 /nfs/dbraw/zinc/18/35/79/565183579.db2.gz FLOBUQZAEHSFQS-QGZVFWFLSA-N 1 0 387.281 2.974 20 0 GFADRO NS(=O)(=O)c1ccc(C[N@H+](CCO)Cc2ccc(Cl)c(Cl)c2)cc1 ZINC000638139760 565186495 /nfs/dbraw/zinc/18/64/95/565186495.db2.gz YZXYNAYRYYDQKJ-UHFFFAOYSA-N 1 0 389.304 2.635 20 0 GFADRO CCC[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2ccc(Br)c(Cl)c2)C1 ZINC000658780301 565187905 /nfs/dbraw/zinc/18/79/05/565187905.db2.gz ZFVASZHDFBIOIW-NSHDSACASA-N 1 0 388.693 2.642 20 0 GFADRO O=C(CN1CC[NH+](CCC[C@H]2CCO2)CC1)Nc1ccc(Br)cc1 ZINC000638176568 565187978 /nfs/dbraw/zinc/18/79/78/565187978.db2.gz FFKSBERMEANXAA-KRWDZBQOSA-N 1 0 396.329 2.574 20 0 GFADRO CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccc(Br)c(Cl)c2)C1 ZINC000658780299 565188084 /nfs/dbraw/zinc/18/80/84/565188084.db2.gz ZFVASZHDFBIOIW-LLVKDONJSA-N 1 0 388.693 2.642 20 0 GFADRO O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)c1scc(Br)c1Br ZINC000638246859 565189758 /nfs/dbraw/zinc/18/97/58/565189758.db2.gz GMNQLZMYWULSES-WDSKDSINSA-N 1 0 386.084 2.703 20 0 GFADRO O=C(c1cc(Br)cc2nc[nH]c21)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000638260828 565190091 /nfs/dbraw/zinc/19/00/91/565190091.db2.gz BAUYFZHEAYFKKV-RYUDHWBXSA-N 1 0 377.286 2.787 20 0 GFADRO [NH3+]Cc1ncc(C(=O)N[C@H]2CCCN(c3ccc(Cl)cc3Cl)C2)cn1 ZINC000638295507 565191330 /nfs/dbraw/zinc/19/13/30/565191330.db2.gz VHYOXCGTKHMTQE-ZDUSSCGKSA-N 1 0 380.279 2.641 20 0 GFADRO CN1CC[C@H]([NH2+]Cc2nnc3n2CCC3)C[C@H]1c1ccc(Br)cc1 ZINC000638346251 565192247 /nfs/dbraw/zinc/19/22/47/565192247.db2.gz GYCYIKNOOGPPAL-HOTGVXAUSA-N 1 0 390.329 2.912 20 0 GFADRO CN1CC[C@H]([NH2+][C@@H]2CCCCNC2=O)C[C@@H]1c1ccc(Br)cc1 ZINC000638352313 565192510 /nfs/dbraw/zinc/19/25/10/565192510.db2.gz OJLCDDHVIQFYDV-GVDBMIGSSA-N 1 0 380.330 2.843 20 0 GFADRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(Br)cc3[nH]c(=O)[nH]c32)C1 ZINC000616158585 565192594 /nfs/dbraw/zinc/19/25/94/565192594.db2.gz ZDECBQAFALCLEU-LLVKDONJSA-N 1 0 381.274 2.586 20 0 GFADRO C[C@@H]1CC2(CN1C(=O)c1cc(Br)c3nccn3c1)CC[NH2+]CC2 ZINC000638365086 565193558 /nfs/dbraw/zinc/19/35/58/565193558.db2.gz GAXQFQUCIAPOMM-GFCCVEGCSA-N 1 0 377.286 2.701 20 0 GFADRO Cc1cc(Br)cc(Cl)c1NC(=O)C(=O)NCC(C)(C)[NH+](C)C ZINC000616212294 565193646 /nfs/dbraw/zinc/19/36/46/565193646.db2.gz HIUZODMSUNDVKH-UHFFFAOYSA-N 1 0 390.709 2.806 20 0 GFADRO COc1cccc(C[C@H]([NH3+])C(=O)N2CCc3sc(Br)cc3C2)c1 ZINC000638418731 565194796 /nfs/dbraw/zinc/19/47/96/565194796.db2.gz KNBQCVVEIHWCEN-AWEZNQCLSA-N 1 0 395.322 2.974 20 0 GFADRO [NH3+]C[C@H]1Cc2ccccc2N1C(=O)c1cc(Br)cc2c1OCCO2 ZINC000658932550 565195134 /nfs/dbraw/zinc/19/51/34/565195134.db2.gz VRRKFYRHURWUDN-CYBMUJFWSA-N 1 0 389.249 2.751 20 0 GFADRO O=C(Nc1ccncc1Br)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1 ZINC000659005396 565198357 /nfs/dbraw/zinc/19/83/57/565198357.db2.gz KMOYCYRPJIPRAT-BBRMVZONSA-N 1 0 393.260 2.672 20 0 GFADRO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)Cc1c(Cl)cccc1Br ZINC000616341240 565198598 /nfs/dbraw/zinc/19/85/98/565198598.db2.gz MRZVDDKULXKYMY-VXGBXAGGSA-N 1 0 389.721 2.559 20 0 GFADRO Cc1cc(Br)c(Cl)cc1NC(=O)NCCCN1CC[NH2+]CC1 ZINC000659029448 565199586 /nfs/dbraw/zinc/19/95/86/565199586.db2.gz XIZIZRZEVSHBDD-UHFFFAOYSA-N 1 0 389.725 2.828 20 0 GFADRO Cc1cc(Br)c(Cl)cc1NC(=O)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000659074620 565200383 /nfs/dbraw/zinc/20/03/83/565200383.db2.gz OZKSIOVPSHSLPG-JTQLQIEISA-N 1 0 388.693 2.608 20 0 GFADRO CCCC[C@@H](C[NH3+])NC(=O)C(=O)Nc1cc(Cl)c(Br)cc1C ZINC000659080534 565200345 /nfs/dbraw/zinc/20/03/45/565200345.db2.gz GMMXHOCWYYCFQM-JTQLQIEISA-N 1 0 390.709 2.983 20 0 GFADRO CCN(CC[NH3+])C(=O)c1nn(-c2cccc(Br)c2)c2c1CCC2 ZINC000638518640 565200490 /nfs/dbraw/zinc/20/04/90/565200490.db2.gz FXGDSFHMOZFESP-UHFFFAOYSA-N 1 0 377.286 2.544 20 0 GFADRO CC(C)c1noc(CCC[NH2+]Cc2cnn3cc(Br)cnc23)n1 ZINC000638518710 565200861 /nfs/dbraw/zinc/20/08/61/565200861.db2.gz HWVBPEJBPPVLQC-UHFFFAOYSA-N 1 0 379.262 2.721 20 0 GFADRO NS(=O)(=O)c1ccc(CN[C@@H](C[NH+]2CCCCC2)c2ccccc2)s1 ZINC000638514242 565200876 /nfs/dbraw/zinc/20/08/76/565200876.db2.gz QVOJZOAUBXHILE-KRWDZBQOSA-N 1 0 379.551 2.712 20 0 GFADRO CSc1cc(Cl)ccc1NC(=O)C(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000659087464 565201332 /nfs/dbraw/zinc/20/13/32/565201332.db2.gz RXKZETMFJOSESH-QWHCGFSZSA-N 1 0 381.929 2.849 20 0 GFADRO CSc1cc(Cl)ccc1NC(=O)C(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000659085876 565201369 /nfs/dbraw/zinc/20/13/69/565201369.db2.gz PHXFRYREWWZBAB-UHFFFAOYSA-N 1 0 381.929 2.993 20 0 GFADRO Cc1cc(Br)c(CNC(=O)C(=O)Nc2cc(C)cc(C[NH3+])c2)s1 ZINC000659102913 565201423 /nfs/dbraw/zinc/20/14/23/565201423.db2.gz KAZDTTUWXIOLGU-UHFFFAOYSA-N 1 0 396.310 2.841 20 0 GFADRO CN1CC[C@H]([NH2+]CC2(O)CCOCC2)C[C@H]1c1ccc(Br)cc1 ZINC000638541852 565201975 /nfs/dbraw/zinc/20/19/75/565201975.db2.gz YGYIEKRTJPIECS-IRXDYDNUSA-N 1 0 383.330 2.716 20 0 GFADRO Cc1cc(SCC(=O)NC2(C[NH3+])CCOCC2)c(C)cc1Br ZINC000638637238 565205390 /nfs/dbraw/zinc/20/53/90/565205390.db2.gz PLZMAJFYZSSUOH-UHFFFAOYSA-N 1 0 387.343 2.782 20 0 GFADRO C[C@@H]1C[C@H](NCc2ccc(S(N)(=O)=O)s2)CC[N@@H+]1Cc1ccccc1 ZINC000638720893 565208562 /nfs/dbraw/zinc/20/85/62/565208562.db2.gz LASFBOFDWMSQGT-GDBMZVCRSA-N 1 0 379.551 2.538 20 0 GFADRO CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)[C@@H]([NH3+])COC(C)C ZINC000659265732 565208876 /nfs/dbraw/zinc/20/88/76/565208876.db2.gz FLJJBWGBYLNNDB-ZDUSSCGKSA-N 1 0 376.284 2.533 20 0 GFADRO CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)[C@@H]([NH3+])COC(C)C ZINC000659266352 565209439 /nfs/dbraw/zinc/20/94/39/565209439.db2.gz SUFICUBIOKGJJF-AWEZNQCLSA-N 1 0 390.311 2.923 20 0 GFADRO Cc1cc(COc2ccc(C(=O)N[C@@H]3CC[NH2+][C@H]3C)cc2Br)on1 ZINC000638770013 565210120 /nfs/dbraw/zinc/21/01/20/565210120.db2.gz ACBLBSNBGZVIDP-XHDPSFHLSA-N 1 0 394.269 2.805 20 0 GFADRO CC(C)(C)O[C@@H]1C[C@H]([NH2+]C[C@@H](O)CS(=O)(=O)c2cccs2)C12CCC2 ZINC000638773357 565210575 /nfs/dbraw/zinc/21/05/75/565210575.db2.gz JXJYNIYLZMGCMJ-QLFBSQMISA-N 1 0 387.567 2.599 20 0 GFADRO [NH3+][C@@H]1CCc2ncc(NC(=O)c3sc4c(c3Br)CNC4)cc2C1 ZINC000659303753 565211419 /nfs/dbraw/zinc/21/14/19/565211419.db2.gz VGEZTVVZFOJSHR-SECBINFHSA-N 1 0 393.310 2.577 20 0 GFADRO [NH3+]C1(C(=O)N[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)CC2(CCC2)C1 ZINC000659316211 565212671 /nfs/dbraw/zinc/21/26/71/565212671.db2.gz FGFGEKOREWIEEU-AWEZNQCLSA-N 1 0 382.291 2.877 20 0 GFADRO CN(Cc1ccc(Br)cc1F)C(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000638829179 565212653 /nfs/dbraw/zinc/21/26/53/565212653.db2.gz MZFWIZZIEPLLBK-SNVBAGLBSA-N 1 0 381.249 2.660 20 0 GFADRO C[C@@H]1[NH2+]CC[C@H]1C(=O)N1CC2(CCOCC2)c2ccc(Br)cc21 ZINC000638840470 565214469 /nfs/dbraw/zinc/21/44/69/565214469.db2.gz CJQSUSPAEHIMRT-GXTWGEPZSA-N 1 0 379.298 2.842 20 0 GFADRO C[C@@H](CC(=O)NCC[C@H]([NH3+])Cc1ccccc1)n1cc(Br)cn1 ZINC000638882670 565215042 /nfs/dbraw/zinc/21/50/42/565215042.db2.gz UTYZYWOHDIQNHA-BBRMVZONSA-N 1 0 379.302 2.673 20 0 GFADRO CC(C)(O)C[NH+]1CCC(NCc2cc3c(c(Br)c2)OCO3)CC1 ZINC000638857581 565215099 /nfs/dbraw/zinc/21/50/99/565215099.db2.gz CAHZXOLHPKHYIZ-UHFFFAOYSA-N 1 0 385.302 2.503 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)c(C)c1C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638926539 565217652 /nfs/dbraw/zinc/21/76/52/565217652.db2.gz IQNVSXQTAVEPSY-GASCZTMLSA-N 1 0 389.297 2.828 20 0 GFADRO CO[C@@H](c1ccc(Br)cc1)[C@H](C)NC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000659478303 565217719 /nfs/dbraw/zinc/21/77/19/565217719.db2.gz RUFUHAQSTKOEJZ-CJYSPXJISA-N 1 0 388.281 2.606 20 0 GFADRO C[C@H]1C[C@@H]([NH3+])CN1C(=O)c1cccc(NC(=O)c2ccc(Br)o2)c1 ZINC000638938838 565217955 /nfs/dbraw/zinc/21/79/55/565217955.db2.gz KWZGWKJTCAYPDV-CMPLNLGQSA-N 1 0 392.253 2.856 20 0 GFADRO Cc1cc(COc2ccc(C(=O)N3C[C@H]([NH3+])C[C@H]3C)cc2Br)no1 ZINC000638938987 565218327 /nfs/dbraw/zinc/21/83/27/565218327.db2.gz OQNGHEXHAIWMCV-ZWNOBZJWSA-N 1 0 394.269 2.886 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)NCC1([NH3+])CCCC1 ZINC000659447780 565218381 /nfs/dbraw/zinc/21/83/81/565218381.db2.gz UVJUZZAGJFTORE-UHFFFAOYSA-N 1 0 397.317 2.657 20 0 GFADRO O=C(CCc1ncc(-c2ccccc2Br)o1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638924753 565218449 /nfs/dbraw/zinc/21/84/49/565218449.db2.gz FMRNSMCEFPMCSO-BETUJISGSA-N 1 0 390.281 3.000 20 0 GFADRO CC(C)C[C@@H](C[NH3+])NC(=O)N1CCOC[C@H]1c1ccc(Br)cc1 ZINC000659523191 565218930 /nfs/dbraw/zinc/21/89/30/565218930.db2.gz QMTNRZULJFUPQY-HOTGVXAUSA-N 1 0 384.318 2.905 20 0 GFADRO O=C(NCCc1c[nH]c2cccc(Br)c12)NCC12CC(C1)C[NH2+]2 ZINC000659494493 565218966 /nfs/dbraw/zinc/21/89/66/565218966.db2.gz WCRDZFONIOTJFC-UHFFFAOYSA-N 1 0 377.286 2.524 20 0 GFADRO CC(C)(COc1ncccc1Br)NC(=O)NCC1([NH3+])CCCC1 ZINC000659573746 565220049 /nfs/dbraw/zinc/22/00/49/565220049.db2.gz QIGOLTODHZJRDR-UHFFFAOYSA-N 1 0 385.306 2.572 20 0 GFADRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)COc1ccc(Cl)c(Cl)c1 ZINC000591286248 565220845 /nfs/dbraw/zinc/22/08/45/565220845.db2.gz YUZYWBYCZOPOEQ-AWEZNQCLSA-N 1 0 375.296 2.941 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)N[C@H]2CCCCc3cc(Br)ccc32)CCCO1 ZINC000659627756 565220989 /nfs/dbraw/zinc/22/09/89/565220989.db2.gz ISBLIOPVJVKWEU-RDJZCZTQSA-N 1 0 396.329 2.976 20 0 GFADRO O=C([C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21)N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000639025158 565221015 /nfs/dbraw/zinc/22/10/15/565221015.db2.gz YRMJSSJTWKMXLY-DVTPXTSXSA-N 1 0 375.310 2.935 20 0 GFADRO COc1ccc(I)c(NC(=O)N[C@H]2CCC[NH2+]CC2)c1 ZINC000591282607 565221270 /nfs/dbraw/zinc/22/12/70/565221270.db2.gz FLHVWKLMCZJERV-JTQLQIEISA-N 1 0 389.237 2.563 20 0 GFADRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)Nc3ccc(F)cc3I)C[C@@H]12 ZINC000591288403 565221889 /nfs/dbraw/zinc/22/18/89/565221889.db2.gz CUSMGLADXQSUAS-MKPLZMMCSA-N 1 0 389.212 2.631 20 0 GFADRO COC(=O)c1cc(NC(=O)N(C)C2CC[NH2+]CC2)c(Br)cc1F ZINC000591287518 565221933 /nfs/dbraw/zinc/22/19/33/565221933.db2.gz OMTYMVHKMFJGBM-UHFFFAOYSA-N 1 0 388.237 2.591 20 0 GFADRO COC(=O)c1cc(NC(=O)N2CC[C@H]([NH3+])[C@@H](C)C2)c(Br)cc1F ZINC000591287272 565221974 /nfs/dbraw/zinc/22/19/74/565221974.db2.gz KEWLAXSCHJYTQP-UFBFGSQYSA-N 1 0 388.237 2.576 20 0 GFADRO COC(=O)c1c(Br)ccc(NC(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)c1C ZINC000591301987 565222776 /nfs/dbraw/zinc/22/27/76/565222776.db2.gz DZPSRXWJONOGLG-SMDDNHRTSA-N 1 0 396.285 2.760 20 0 GFADRO CO[C@H](C[NH2+]Cc1cn2cc(Br)cc(C)c2n1)C1CCOCC1 ZINC000639059891 565222936 /nfs/dbraw/zinc/22/29/36/565222936.db2.gz JTFJJMCTSWKQSV-MRXNPFEDSA-N 1 0 382.302 2.936 20 0 GFADRO COC(=O)c1cc(F)c(Br)cc1NC(=O)N1CCC[C@H](C[NH3+])C1 ZINC000591303732 565223097 /nfs/dbraw/zinc/22/30/97/565223097.db2.gz KWKQUPDJMRCKPY-SECBINFHSA-N 1 0 388.237 2.577 20 0 GFADRO CC[C@H](CC(F)F)C[N@@H+]1CCCN(S(=O)(=O)c2c(C)noc2C)CC1 ZINC000659824697 565224788 /nfs/dbraw/zinc/22/47/88/565224788.db2.gz WFZQOMRETLBUDZ-CQSZACIVSA-N 1 0 379.473 2.669 20 0 GFADRO Fc1ccc2c(c1)C[C@H]([NH2+]Cc1cnn3cc(Br)cnc13)CO2 ZINC000639192263 565231650 /nfs/dbraw/zinc/23/16/50/565231650.db2.gz MADKRKLKPPQIGO-AWEZNQCLSA-N 1 0 377.217 2.724 20 0 GFADRO COc1nsc(C[NH2+][C@H](C2CC2)C2(CO)CCOCC2)c1Br ZINC000639211113 565233997 /nfs/dbraw/zinc/23/39/97/565233997.db2.gz MPBUQSDKMFWLMS-CYBMUJFWSA-N 1 0 391.331 2.572 20 0 GFADRO OC[C@@H](C[NH2+]C1CC(n2cccn2)C1)Cc1cc(Br)ccc1F ZINC000639253989 565235707 /nfs/dbraw/zinc/23/57/07/565235707.db2.gz UAURHNIRVXXUPH-UWTIGNOOSA-N 1 0 382.277 2.929 20 0 GFADRO CC(C)COC[C@H](O)C[NH2+]CCc1ccc(I)s1 ZINC000591735459 565237129 /nfs/dbraw/zinc/23/71/29/565237129.db2.gz MFOHXDGTIIQHQK-LLVKDONJSA-N 1 0 383.295 2.518 20 0 GFADRO Fc1ccc(N2CC[C@H]([NH2+]Cc3cnn4cc(Br)cnc34)C2)cc1 ZINC000639274422 565237369 /nfs/dbraw/zinc/23/73/69/565237369.db2.gz PHDNJGXFDMANIH-HNNXBMFYSA-N 1 0 390.260 2.999 20 0 GFADRO C[NH+](C)C[C@@H]1CCCCN1S(=O)(=O)c1ccc(OCC(F)(F)F)cc1 ZINC000660009939 565238226 /nfs/dbraw/zinc/23/82/26/565238226.db2.gz DGYBOQYIUYKDTH-ZDUSSCGKSA-N 1 0 380.432 2.733 20 0 GFADRO C[S@@](=O)c1ccc(C[NH2+]C[C@@H](O)COc2cccc(Br)c2)cc1 ZINC000591749307 565238781 /nfs/dbraw/zinc/23/87/81/565238781.db2.gz BOOUKZQHYOYIGV-IQMFZBJNSA-N 1 0 398.322 2.716 20 0 GFADRO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)c1cc(Cl)ccc1OC(F)F ZINC000617505919 565242704 /nfs/dbraw/zinc/24/27/04/565242704.db2.gz VLZGTIHQAMYMQI-LBPRGKRZSA-N 1 0 377.863 2.943 20 0 GFADRO C[C@H](CCCOc1ccccc1C(N)=O)[NH2+]Cc1c(Br)cnn1C ZINC000639382029 565243431 /nfs/dbraw/zinc/24/34/31/565243431.db2.gz VHYSUVWHKITLMC-GFCCVEGCSA-N 1 0 395.301 2.619 20 0 GFADRO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)Cc1cc(Br)ccc1F ZINC000617506788 565244021 /nfs/dbraw/zinc/24/40/21/565244021.db2.gz ZCJMYVCUCBCWET-ZDUSSCGKSA-N 1 0 388.325 2.519 20 0 GFADRO CCN(C(=O)c1ncc(Br)cc1Br)[C@H]1CC[N@H+](C)C1 ZINC000617552174 565245667 /nfs/dbraw/zinc/24/56/67/565245667.db2.gz ILIVEQKCRMYTOL-JTQLQIEISA-N 1 0 391.107 2.773 20 0 GFADRO O=C1[C@@H](N2CCO[C@H](c3ccc(Br)cc3)C2)CCN1C1CCC1 ZINC000639459204 565246890 /nfs/dbraw/zinc/24/68/90/565246890.db2.gz JPUPKQYRUHYYKX-IRXDYDNUSA-N 1 0 379.298 2.976 20 0 GFADRO CC(C)C(=O)N1CCC[N@H+](C[C@H](O)COc2cc(Cl)cc(Cl)c2)CC1 ZINC000639470350 565248528 /nfs/dbraw/zinc/24/85/28/565248528.db2.gz BASOAIUWNZQJRI-INIZCTEOSA-N 1 0 389.323 2.923 20 0 GFADRO C[C@@](O)(C[C@@H](O)C[NH2+]C1(c2cccc(Br)c2)CCOCC1)C1CC1 ZINC000639539420 565249204 /nfs/dbraw/zinc/24/92/04/565249204.db2.gz XABXJELUHQQPBH-QZTJIDSGSA-N 1 0 398.341 2.956 20 0 GFADRO C[C@H]1OCC[C@H]1C[NH+]1CCC(C(=O)Nc2ccc(Br)cn2)CC1 ZINC000639523056 565249998 /nfs/dbraw/zinc/24/99/98/565249998.db2.gz TZDHOLCGBPTLCM-OCCSQVGLSA-N 1 0 382.302 2.920 20 0 GFADRO O=C(NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1c(Cl)cncc1Cl ZINC000617705260 565252243 /nfs/dbraw/zinc/25/22/43/565252243.db2.gz QUYZWJNWMDFGTG-AWEZNQCLSA-N 1 0 380.275 2.885 20 0 GFADRO C[C@@H]([NH2+]Cc1c(Br)cnn1C)C1CCN(CC(F)(F)F)CC1 ZINC000639629707 565252497 /nfs/dbraw/zinc/25/24/97/565252497.db2.gz PFWSHHQKJFVLSR-SNVBAGLBSA-N 1 0 383.256 2.935 20 0 GFADRO C[C@H]([NH2+]C[C@@H]1CCc2ncnn21)c1ccc(Br)cc1OCCCO ZINC000639653005 565254130 /nfs/dbraw/zinc/25/41/30/565254130.db2.gz YTCYLYZFJIDPSV-JSGCOSHPSA-N 1 0 395.301 2.640 20 0 GFADRO C[NH+]1CCC2(CC1)CN(C[C@@H](O)COc1cc(Cl)cc(Cl)c1)CCO2 ZINC000639697579 565255630 /nfs/dbraw/zinc/25/56/30/565255630.db2.gz CNIRWHQBVNUFDP-MRXNPFEDSA-N 1 0 389.323 2.530 20 0 GFADRO COc1ccc(Br)c(C[N@@H+]2CC[C@H](c3cc(=O)[nH]c(=O)[nH]3)C2)c1 ZINC000639714583 565256392 /nfs/dbraw/zinc/25/63/92/565256392.db2.gz WAQKGOVLONIWPW-JTQLQIEISA-N 1 0 380.242 2.648 20 0 GFADRO Cn1ccnc1[C@H]([NH2+]CCOc1ccccc1Br)C(C)(C)CO ZINC000639773022 565260549 /nfs/dbraw/zinc/26/05/49/565260549.db2.gz RSGRLYNFRADYBO-HNNXBMFYSA-N 1 0 382.302 2.911 20 0 GFADRO O=S(=O)(NCC1CC[NH+](CC2CC2)CC1)c1ccccc1Br ZINC000660152637 565260956 /nfs/dbraw/zinc/26/09/56/565260956.db2.gz BGYKPAIUPCBTTO-UHFFFAOYSA-N 1 0 387.343 2.849 20 0 GFADRO CCO[C@@H]1C[C@@H]([NH2+]Cc2csc(-c3ccc(C(N)=O)cc3)n2)[C@@H]1SC ZINC000592174419 565262310 /nfs/dbraw/zinc/26/23/10/565262310.db2.gz SIXPPBWSLSLDGN-OAGGEKHMSA-N 1 0 377.535 2.908 20 0 GFADRO COCc1cc(Cl)cc(S(=O)(=O)NC[C@@H]2CCC[N@H+](CC3CC3)C2)c1 ZINC000660178220 565264058 /nfs/dbraw/zinc/26/40/58/565264058.db2.gz CJQHAXSYKYWVMT-HNNXBMFYSA-N 1 0 386.945 2.887 20 0 GFADRO CNS(=O)(=O)c1ccc(C[NH2+][C@@H](CCO)c2ccc(Cl)c(F)c2)cc1 ZINC000639917471 565267214 /nfs/dbraw/zinc/26/72/14/565267214.db2.gz GFTQGFFHOCQDFU-KRWDZBQOSA-N 1 0 386.876 2.601 20 0 GFADRO CC[C@H]1CN(C(=O)c2scc(C)c2I)CC[C@@H]1[NH3+] ZINC000592331694 565270094 /nfs/dbraw/zinc/27/00/94/565270094.db2.gz NNBCPAJTCXMGPC-UWVGGRQHSA-N 1 0 378.279 2.861 20 0 GFADRO C[N@H+](CCc1c[nH]nn1)Cc1cccc(Br)c1OC[C@H]1CCCO1 ZINC000660381596 565274010 /nfs/dbraw/zinc/27/40/10/565274010.db2.gz WSZPBYFPLBJDEV-OAHLLOKOSA-N 1 0 395.301 2.800 20 0 GFADRO Fc1ccc(I)c(F)c1CN1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000592432513 565276519 /nfs/dbraw/zinc/27/65/19/565276519.db2.gz OALQVQZEXCYLOX-RNCFNFMXSA-N 1 0 378.204 2.753 20 0 GFADRO C[C@H]1C[C@@H](C(=O)N2CCN(c3ccc(Br)cc3)CC2)CC[N@@H+]1C ZINC000618181008 565278586 /nfs/dbraw/zinc/27/85/86/565278586.db2.gz XGVVTPIZMNOURL-GJZGRUSLSA-N 1 0 380.330 2.828 20 0 GFADRO [NH3+]C[C@H]1CCCn2ncc(C(=O)Nc3ccc(I)cc3)c21 ZINC000592477103 565278832 /nfs/dbraw/zinc/27/88/32/565278832.db2.gz WFRQUTSZOUPMNW-SNVBAGLBSA-N 1 0 396.232 2.576 20 0 GFADRO COc1ccc(Br)c(NC(=O)c2cnn3c2[C@@H](C[NH3+])CCC3)c1 ZINC000592504670 565280043 /nfs/dbraw/zinc/28/00/43/565280043.db2.gz DKTVRSXSOVRRPD-SNVBAGLBSA-N 1 0 379.258 2.743 20 0 GFADRO [NH3+]C[C@H]1CCCn2ncc(C(=O)N[C@H]3CCc4c3cccc4Br)c21 ZINC000592525735 565281154 /nfs/dbraw/zinc/28/11/54/565281154.db2.gz RTJABAYZSXPVEI-BZNIZROVSA-N 1 0 389.297 2.899 20 0 GFADRO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl ZINC000618306099 565285958 /nfs/dbraw/zinc/28/59/58/565285958.db2.gz SUCWIAVUYLBHFB-HUUCEWRRSA-N 1 0 386.323 2.575 20 0 GFADRO C[N@@H+]1CC[C@@]2(C1)CCCN(C[C@@H](O)COc1ccc(Br)cc1)C2 ZINC000660651809 565286177 /nfs/dbraw/zinc/28/61/77/565286177.db2.gz CKQZVEPYZCPRRJ-SJLPKXTDSA-N 1 0 383.330 2.607 20 0 GFADRO CN(Cc1ccccc1Br)C(=O)CN1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660652748 565287612 /nfs/dbraw/zinc/28/76/12/565287612.db2.gz KVCCPINXTHYDRY-IBGZPJMESA-N 1 0 394.357 2.825 20 0 GFADRO CN(Cc1ccccc1Br)C(=O)C[NH2+][C@@H]1CCCn2nccc21 ZINC000640216165 565288108 /nfs/dbraw/zinc/28/81/08/565288108.db2.gz MJFMTLZTWRYXPT-OAHLLOKOSA-N 1 0 377.286 2.729 20 0 GFADRO O=C(NCCc1ccc(Br)cc1)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000660681008 565289013 /nfs/dbraw/zinc/28/90/13/565289013.db2.gz IMASGUICMPECDD-KRWDZBQOSA-N 1 0 396.329 2.544 20 0 GFADRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)Nc1nn(CC(F)(F)F)cc1Cl ZINC000640302635 565296825 /nfs/dbraw/zinc/29/68/25/565296825.db2.gz SXMJVVSDMNULQE-WDEREUQCSA-N 1 0 379.814 3.189 20 0 GFADRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)CCn2cc(Br)cn2)C1 ZINC000618387468 565298968 /nfs/dbraw/zinc/29/89/68/565298968.db2.gz WOYWXHRRYUHAPX-HUUCEWRRSA-N 1 0 385.350 2.910 20 0 GFADRO Cn1cc(Br)c(NC(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)n1 ZINC000640315562 565301158 /nfs/dbraw/zinc/30/11/58/565301158.db2.gz QLLKIPYTHLXAKL-ZDUSSCGKSA-N 1 0 384.322 3.101 20 0 GFADRO CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)N(C)CC1C[NH+](C)C1 ZINC000660987107 565301469 /nfs/dbraw/zinc/30/14/69/565301469.db2.gz PLSMNYKTDCJSHA-LRDDRELGSA-N 1 0 384.318 2.728 20 0 GFADRO OCC1([C@H]([NH2+]Cc2cn3cc(Br)ccc3n2)C2CC2)CCOCC1 ZINC000661082397 565305809 /nfs/dbraw/zinc/30/58/09/565305809.db2.gz NQPWCEFLVMYGME-QGZVFWFLSA-N 1 0 394.313 2.754 20 0 GFADRO C[N@H+](C[C@H](O)COc1ccc(Br)cc1)[C@H](CO)Cc1ccccc1 ZINC000661096541 565307079 /nfs/dbraw/zinc/30/70/79/565307079.db2.gz FLRPYKMIFKCIQP-ROUUACIJSA-N 1 0 394.309 2.724 20 0 GFADRO COC[C@@H]([NH2+]C[C@H](O)COc1cc(Cl)ccc1Cl)C1CCOCC1 ZINC000661160824 565311423 /nfs/dbraw/zinc/31/14/23/565311423.db2.gz OGFNNEHRHCHPRR-GOEBONIOSA-N 1 0 378.296 2.764 20 0 GFADRO COC(=O)[C@@H]1C[N@H+](CCC(=O)Nc2ccccc2Br)C[C@H]1C1CC1 ZINC000593132157 565315137 /nfs/dbraw/zinc/31/51/37/565315137.db2.gz YOOUQHSNSHOKNT-UONOGXRCSA-N 1 0 395.297 2.909 20 0 GFADRO C[C@@H](CO)[C@H]1CCCC[N@@H+]1CC(=O)N(C)Cc1cc(Br)cs1 ZINC000661436087 565323975 /nfs/dbraw/zinc/32/39/75/565323975.db2.gz AAEJSRQIJXRWKT-SWLSCSKDSA-N 1 0 389.359 2.952 20 0 GFADRO C[NH2+]Cc1cn(Cc2csc(N(C(C)=O)c3cccc(Cl)c3)n2)nn1 ZINC000640851995 565331491 /nfs/dbraw/zinc/33/14/91/565331491.db2.gz ZBYVMVAYMQTZCT-UHFFFAOYSA-N 1 0 376.873 2.840 20 0 GFADRO O=C1[C@@H]([N@@H+]2CCC[C@@](O)(C3CC3)C2)CCN1c1cccc(Br)c1 ZINC000661632110 565332120 /nfs/dbraw/zinc/33/21/20/565332120.db2.gz NLJFSOZYKQMLCT-WMZOPIPTSA-N 1 0 379.298 2.791 20 0 GFADRO COC(=O)CC[N@@H+]1CCN(c2ccc(-c3ccc(Cl)s3)nn2)[C@@H](C)C1 ZINC000593469782 565334455 /nfs/dbraw/zinc/33/44/55/565334455.db2.gz NEDOBVLZMNASBX-LBPRGKRZSA-N 1 0 380.901 2.932 20 0 GFADRO C[C@@H](C(=O)Nc1ccccc1Br)n1cc(C[C@H]2CCC[NH2+]C2)nn1 ZINC000640902033 565336322 /nfs/dbraw/zinc/33/63/22/565336322.db2.gz VTGCLUBTOVQIJY-QWHCGFSZSA-N 1 0 392.301 2.782 20 0 GFADRO CCc1noc([C@H](C)n2cc([C@H]([NH3+])c3ccc(Br)cc3)nn2)n1 ZINC000640933078 565337289 /nfs/dbraw/zinc/33/72/89/565337289.db2.gz CNIRWBSNMMUTEQ-LKFCYVNXSA-N 1 0 377.246 2.643 20 0 GFADRO CC[C@@H]([NH3+])c1cn([C@@H](C)C(=O)N(C)Cc2ccc(Br)cc2)nn1 ZINC000640926679 565337396 /nfs/dbraw/zinc/33/73/96/565337396.db2.gz RPWTYHLXJZFCNB-SMDDNHRTSA-N 1 0 380.290 2.670 20 0 GFADRO C[C@@H](CCc1ccc(I)cc1)[NH2+]Cc1nnnn1C1CC1 ZINC000619427429 565340249 /nfs/dbraw/zinc/34/02/49/565340249.db2.gz GAWTYAFLJZUOEI-NSHDSACASA-N 1 0 397.264 2.724 20 0 GFADRO CSCCCNC(=O)C(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000593550410 565340635 /nfs/dbraw/zinc/34/06/35/565340635.db2.gz AKOCVKYUBAQQRI-UHFFFAOYSA-N 1 0 381.567 2.682 20 0 GFADRO CS[C@@H]1CN(C(=O)[C@@H]2CCOc3ccc(Br)cc32)C[C@H]1[NH+](C)C ZINC000593562384 565341208 /nfs/dbraw/zinc/34/12/08/565341208.db2.gz UOYHAWQNKRIVLP-XNRPHZJLSA-N 1 0 399.354 2.819 20 0 GFADRO CS[C@@H]1CN(C(=O)[C@H]2CCOc3ccc(Br)cc32)C[C@@H]1[NH+](C)C ZINC000593562381 565341284 /nfs/dbraw/zinc/34/12/84/565341284.db2.gz UOYHAWQNKRIVLP-DUVNUKRYSA-N 1 0 399.354 2.819 20 0 GFADRO CN(CCn1cc(Br)cn1)C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000661853078 565341402 /nfs/dbraw/zinc/34/14/02/565341402.db2.gz BCHBDRCLSKUDAU-OAHLLOKOSA-N 1 0 398.349 2.694 20 0 GFADRO Cc1cc(C)n(CCn2cc([C@H]([NH3+])c3ccc(Br)cc3)nn2)n1 ZINC000641037445 565342586 /nfs/dbraw/zinc/34/25/86/565342586.db2.gz UIOHGMREUNGEEJ-MRXNPFEDSA-N 1 0 375.274 2.602 20 0 GFADRO O=C1CCCC12CC[NH+](Cc1cc(=O)n3cc(Br)ccc3n1)CC2 ZINC000661956178 565343591 /nfs/dbraw/zinc/34/35/91/565343591.db2.gz CZAXUMBSVSJANM-UHFFFAOYSA-N 1 0 390.281 2.792 20 0 GFADRO CC(C)[C@H]([NH3+])c1cn([C@@H]2CCN(c3cccc(Br)c3)C2=O)nn1 ZINC000641104932 565345612 /nfs/dbraw/zinc/34/56/12/565345612.db2.gz NDPWCHHEQWXJEF-CABCVRRESA-N 1 0 378.274 2.674 20 0 GFADRO O=C1[C@@H](n2cc(C[C@@H]3CC[NH2+]C3)nn2)CCN1c1ccc(Cl)cc1Cl ZINC000641107365 565345702 /nfs/dbraw/zinc/34/57/02/565345702.db2.gz GYRYCQGBQGYCLT-ZBEGNZNMSA-N 1 0 380.279 2.715 20 0 GFADRO O=C1[C@H](n2cc(C[C@H]3CC[NH2+]C3)nn2)CCN1c1ccc(Cl)cc1Cl ZINC000641107362 565345777 /nfs/dbraw/zinc/34/57/77/565345777.db2.gz GYRYCQGBQGYCLT-BDJLRTHQSA-N 1 0 380.279 2.715 20 0 GFADRO O[C@H](COc1ccc(Cl)cc1Br)C[N@@H+]1CC[C@H]2COC[C@H]2C1 ZINC000662040361 565346162 /nfs/dbraw/zinc/34/61/62/565346162.db2.gz XLQUOJOXBGMLQF-SCRDCRAPSA-N 1 0 390.705 2.811 20 0 GFADRO Brc1cc2c(cc1Cn1cc(C3CC[NH2+]CC3)nn1)OCCCO2 ZINC000641120686 565347178 /nfs/dbraw/zinc/34/71/78/565347178.db2.gz JNRXQPKXLAZUSR-UHFFFAOYSA-N 1 0 393.285 2.717 20 0 GFADRO Brc1cc2c(cc1Cn1cc([C@H]3CCC[NH2+]C3)nn1)OCCCO2 ZINC000641120720 565347610 /nfs/dbraw/zinc/34/76/10/565347610.db2.gz LHLINDOYCXQBNG-LBPRGKRZSA-N 1 0 393.285 2.717 20 0 GFADRO CC(C)[NH+]1CCC(NC(=O)CN[C@H](CO)c2cccc(Cl)c2Cl)CC1 ZINC000662050472 565347722 /nfs/dbraw/zinc/34/77/22/565347722.db2.gz GIPAUFZCNYZAGA-MRXNPFEDSA-N 1 0 388.339 2.605 20 0 GFADRO [NH3+][C@H](c1cn(Cc2ccc(Br)c3cccnc23)nn1)[C@@H]1CCCO1 ZINC000641156638 565350168 /nfs/dbraw/zinc/35/01/68/565350168.db2.gz CGHSWSOYXKVMAH-JKSUJKDBSA-N 1 0 388.269 2.816 20 0 GFADRO CC(C)NC(=O)[C@@H]1CCC[N@H+](C[C@H](O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000662112308 565350133 /nfs/dbraw/zinc/35/01/33/565350133.db2.gz DCVGNEJORDONMU-KGLIPLIRSA-N 1 0 389.323 2.970 20 0 GFADRO CC[N@H+](CCN1CCCS1(=O)=O)[C@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000662155249 565352891 /nfs/dbraw/zinc/35/28/91/565352891.db2.gz FHYHCPRVTONVGM-CQSZACIVSA-N 1 0 378.460 2.994 20 0 GFADRO CC[N@H+](CCN1CCCS1(=O)=O)[C@@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000662155247 565353287 /nfs/dbraw/zinc/35/32/87/565353287.db2.gz FHYHCPRVTONVGM-AWEZNQCLSA-N 1 0 378.460 2.994 20 0 GFADRO CC[NH+](CC)Cc1ccc(CNS(=O)(=O)Cc2cc(OC)ns2)cc1 ZINC000641262760 565356905 /nfs/dbraw/zinc/35/69/05/565356905.db2.gz YSLHKZNIWUYEHT-UHFFFAOYSA-N 1 0 383.539 2.613 20 0 GFADRO Cc1ccc(CN(C[C@@H]2CCCO2)C[C@@H]2C[NH2+]CCO2)c(Br)c1 ZINC000662281911 565357818 /nfs/dbraw/zinc/35/78/18/565357818.db2.gz MMJXHZUPUDZVSL-IRXDYDNUSA-N 1 0 383.330 2.727 20 0 GFADRO OC[C@@H](CCF)[NH2+][C@H]1CCCOc2ccc(I)cc21 ZINC000593718333 565358122 /nfs/dbraw/zinc/35/81/22/565358122.db2.gz FCIPYDTZVNUXBE-YPMHNXCESA-N 1 0 379.213 2.815 20 0 GFADRO NC(=O)[C@H](c1cccc(Br)c1)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662295708 565358983 /nfs/dbraw/zinc/35/89/83/565358983.db2.gz WMFBHFZMQHXHHN-WBVHZDCISA-N 1 0 380.330 2.687 20 0 GFADRO COc1ncc(Br)cc1CN1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000662282948 565359135 /nfs/dbraw/zinc/35/91/35/565359135.db2.gz FFUMSKWTOBKMSQ-ARFHVFGLSA-N 1 0 384.318 2.714 20 0 GFADRO OCC1(NCc2cccc(OCC(F)(F)F)c2Br)CC[NH2+]CC1 ZINC000662283014 565359410 /nfs/dbraw/zinc/35/94/10/565359410.db2.gz GBCQNHCQAHRRHY-UHFFFAOYSA-N 1 0 397.235 2.594 20 0 GFADRO COC(=O)c1cc(Br)c(F)cc1NC(=O)NCCC1(C[NH3+])CC1 ZINC000593763186 565359455 /nfs/dbraw/zinc/35/94/55/565359455.db2.gz HIWUMUNPQCYNQY-UHFFFAOYSA-N 1 0 388.237 2.625 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CN1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662323657 565360622 /nfs/dbraw/zinc/36/06/22/565360622.db2.gz ZTTRMCRTTLPINZ-MRXNPFEDSA-N 1 0 398.345 2.739 20 0 GFADRO CN(C[C@@H]1COc2ccccc2O1)C(=O)[C@@H](N)c1ccccc1Br ZINC000662347066 565361558 /nfs/dbraw/zinc/36/15/58/565361558.db2.gz YLQSWXASVLNBIK-PXAZEXFGSA-N 1 0 391.265 2.747 20 0 GFADRO CN(Cc1ccc2c(c1)OCCO2)C(=O)[C@@H](N)c1ccccc1Br ZINC000662342548 565361741 /nfs/dbraw/zinc/36/17/41/565361741.db2.gz DAYREAHRVMECFO-KRWDZBQOSA-N 1 0 391.265 2.879 20 0 GFADRO CN(Cc1cc2c(cc1Br)OCCCO2)[C@@H](C[NH3+])C(F)(F)F ZINC000662333269 565361891 /nfs/dbraw/zinc/36/18/91/565361891.db2.gz WBSKBNITTBJCPF-ZDUSSCGKSA-N 1 0 383.208 2.932 20 0 GFADRO CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)C1 ZINC000619893518 565362438 /nfs/dbraw/zinc/36/24/38/565362438.db2.gz JWXHIBQAWMKNCN-UONOGXRCSA-N 1 0 384.307 2.947 20 0 GFADRO CCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)C1 ZINC000619893519 565362539 /nfs/dbraw/zinc/36/25/39/565362539.db2.gz JWXHIBQAWMKNCN-ZIAGYGMSSA-N 1 0 384.307 2.947 20 0 GFADRO O=C(NCCOc1cccc(Br)c1)c1cc2c(s1)CC[NH2+]C2 ZINC000662400376 565366166 /nfs/dbraw/zinc/36/61/66/565366166.db2.gz UUSOIQLGWSOCBO-UHFFFAOYSA-N 1 0 381.295 2.965 20 0 GFADRO O=C(N[C@@H]1CCc2cc(Br)ccc21)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC000662405578 565366377 /nfs/dbraw/zinc/36/63/77/565366377.db2.gz OGXWIDGJLGGFEU-XHDPSFHLSA-N 1 0 375.270 2.666 20 0 GFADRO COC(=O)c1cc(NC(=O)[C@H]2CC[C@@H](C3CC3)[NH2+]2)cc(Br)c1F ZINC000593908306 565367213 /nfs/dbraw/zinc/36/72/13/565367213.db2.gz LDGCUTSCYRRLJM-QWHCGFSZSA-N 1 0 385.233 2.844 20 0 GFADRO O=C(NCCc1ccc(Cl)cc1Cl)c1cn([C@@H]2CCC[NH2+]CC2)nn1 ZINC000662436028 565367555 /nfs/dbraw/zinc/36/75/55/565367555.db2.gz KWMAFUISBHVKEC-CQSZACIVSA-N 1 0 382.295 2.872 20 0 GFADRO CCOC(=O)[C@@H](Cc1cc(Cl)cc(Cl)c1)NC(=O)[C@@H]1CCC[NH2+]CC1 ZINC000593905233 565367862 /nfs/dbraw/zinc/36/78/62/565367862.db2.gz AKTKEGZLQVVITP-CZUORRHYSA-N 1 0 387.307 2.974 20 0 GFADRO O=C(c1sc2c(c1Br)CNC2)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000662470069 565370144 /nfs/dbraw/zinc/37/01/44/565370144.db2.gz CBXLGOIYWGVKLF-NSHDSACASA-N 1 0 384.343 2.672 20 0 GFADRO N[C@H](C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1)c1ccccc1Br ZINC000662468827 565370335 /nfs/dbraw/zinc/37/03/35/565370335.db2.gz UIMQKCFOTSTQME-PBHICJAKSA-N 1 0 380.330 2.926 20 0 GFADRO CN(Cc1cc(Cl)ccc1I)[C@@H]1CCC(=O)N(C)C1 ZINC000593994898 565370563 /nfs/dbraw/zinc/37/05/63/565370563.db2.gz MDTYOQZUFHEGHO-GFCCVEGCSA-N 1 0 392.668 2.997 20 0 GFADRO O=C(c1sc2c(c1Br)CNC2)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000662522114 565375035 /nfs/dbraw/zinc/37/50/35/565375035.db2.gz KDGMFVJTWMVLOT-NEPJUHHUSA-N 1 0 398.370 2.966 20 0 GFADRO O=C(NCCc1cc(Cl)cc(Cl)c1)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC000662536104 565375218 /nfs/dbraw/zinc/37/52/18/565375218.db2.gz SBLVHBSCNAIXLO-HNNXBMFYSA-N 1 0 382.295 2.872 20 0 GFADRO COC(=O)c1cc(NC(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)ccc1Br ZINC000594079749 565375349 /nfs/dbraw/zinc/37/53/49/565375349.db2.gz ZXIUFFSATAGVRQ-KLPPZKSPSA-N 1 0 384.274 2.697 20 0 GFADRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)Nc2cccc(F)c2I)C1 ZINC000594077674 565375713 /nfs/dbraw/zinc/37/57/13/565375713.db2.gz JVARYQWVNUVDQR-AOOOYVTPSA-N 1 0 391.228 2.892 20 0 GFADRO COc1ccc(NC(=O)c2cn([C@H]3CCC[NH2+]CC3)nn2)c(Br)c1 ZINC000662561978 565376921 /nfs/dbraw/zinc/37/69/21/565376921.db2.gz URMWBGGRYWDHQS-NSHDSACASA-N 1 0 394.273 2.616 20 0 GFADRO [NH3+]CCN(CCc1ccccc1)C(=O)c1sc2c(c1Br)CNC2 ZINC000662562216 565377304 /nfs/dbraw/zinc/37/73/04/565377304.db2.gz HOJUGNFFMPLGJV-UHFFFAOYSA-N 1 0 394.338 2.757 20 0 GFADRO O=C(Cc1cccc(I)c1)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000594194897 565378888 /nfs/dbraw/zinc/37/88/88/565378888.db2.gz AGCZYPXQZNRGLD-JKSUJKDBSA-N 1 0 398.288 2.967 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C(=O)NCC1([NH3+])CCCC1 ZINC000662649722 565380623 /nfs/dbraw/zinc/38/06/23/565380623.db2.gz RFFXPQZYQFMUKK-UHFFFAOYSA-N 1 0 377.286 2.945 20 0 GFADRO O=C(c1c[nH]nc1[C@@H]1CC[NH2+]C1)N1CCc2sc(Br)cc2C1 ZINC000662692091 565381594 /nfs/dbraw/zinc/38/15/94/565381594.db2.gz WCCFAAHSKRZBDV-SECBINFHSA-N 1 0 381.299 2.509 20 0 GFADRO C[NH+]1CCC2(CCN(S(=O)(=O)c3ccc(Br)c(F)c3)C2)CC1 ZINC000641584486 565384780 /nfs/dbraw/zinc/38/47/80/565384780.db2.gz WXYBZNREYHFCGL-UHFFFAOYSA-N 1 0 391.306 2.695 20 0 GFADRO Cc1ccc(F)c(C(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)c1Br ZINC000620478688 565384912 /nfs/dbraw/zinc/38/49/12/565384912.db2.gz FJPAOTUPKOPCJD-ZDUSSCGKSA-N 1 0 385.277 2.568 20 0 GFADRO C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000620477761 565384987 /nfs/dbraw/zinc/38/49/87/565384987.db2.gz NHAAUKGBNXRMNM-WFASDCNBSA-N 1 0 387.307 2.818 20 0 GFADRO CC1(C)CC[NH2+][C@H]1C(=O)NCc1noc(-c2cccc(Br)c2)n1 ZINC000662811409 565385743 /nfs/dbraw/zinc/38/57/43/565385743.db2.gz YAZLYHACPMYYCR-ZDUSSCGKSA-N 1 0 379.258 2.503 20 0 GFADRO O=C(c1ccc(Br)cc1Cl)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000620487252 565385984 /nfs/dbraw/zinc/38/59/84/565385984.db2.gz UEVXUVJQZGXROU-ZDUSSCGKSA-N 1 0 387.705 2.774 20 0 GFADRO CC(C)(C(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1)c1ccc(Br)cc1 ZINC000620487304 565386380 /nfs/dbraw/zinc/38/63/80/565386380.db2.gz VJKXLBBKCNXOSM-QGZVFWFLSA-N 1 0 395.341 2.784 20 0 GFADRO COCC[NH2+]C1CCN(C(=O)c2c(Cl)cccc2Br)CC1 ZINC000662826698 565386720 /nfs/dbraw/zinc/38/67/20/565386720.db2.gz BHYWFRCNWAVUKX-UHFFFAOYSA-N 1 0 375.694 2.943 20 0 GFADRO Cc1cc(Br)c(CNC(=O)c2cn([C@@H]3CCC[NH2+]CC3)nn2)s1 ZINC000662875038 565388394 /nfs/dbraw/zinc/38/83/94/565388394.db2.gz NGIXRNPHEBCCDX-LLVKDONJSA-N 1 0 398.330 2.655 20 0 GFADRO O=C(N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1)c1cc(Cl)ccc1Cl ZINC000641665723 565392116 /nfs/dbraw/zinc/39/21/16/565392116.db2.gz XHEWKSQGRIRAQY-OAHLLOKOSA-N 1 0 386.323 2.520 20 0 GFADRO Cc1cc(COc2ccc(C(=O)N[C@]3(C)CC[NH2+]C3)cc2Br)on1 ZINC000663012284 565393761 /nfs/dbraw/zinc/39/37/61/565393761.db2.gz VHKBVLIXEFMTEG-QGZVFWFLSA-N 1 0 394.269 2.806 20 0 GFADRO CCN1C(=O)[C@@H]2CN(Cc3cccc(Br)c3Cl)CCN2C1=O ZINC000663076680 565394601 /nfs/dbraw/zinc/39/46/01/565394601.db2.gz MPVQANRPBUAKIK-LBPRGKRZSA-N 1 0 386.677 2.571 20 0 GFADRO CN(Cc1ccccc1Br)C(=O)CC[NH2+]Cc1ccncc1N ZINC000641720945 565396515 /nfs/dbraw/zinc/39/65/15/565396515.db2.gz XXKPLDFPBAYHJP-UHFFFAOYSA-N 1 0 377.286 2.565 20 0 GFADRO O=c1[nH]c2ccc(C[NH2+]C[C@@H](CO)Cc3cccc(Br)c3)cc2[nH]1 ZINC000641759169 565397605 /nfs/dbraw/zinc/39/76/05/565397605.db2.gz BYIFKKIVWZXKED-AWEZNQCLSA-N 1 0 390.281 2.972 20 0 GFADRO [NH3+]C/C=C\CNC(=O)N(Cc1cccc(Br)c1)C1CCOCC1 ZINC000641866602 565401019 /nfs/dbraw/zinc/40/10/19/565401019.db2.gz FOSWAOMGDAOMBP-UPHRSURJSA-N 1 0 382.302 2.655 20 0 GFADRO Cc1ccc(CN(C[C@H]2CCCO2)C(=O)NC/C=C\C[NH3+])c(Br)c1 ZINC000641867607 565401108 /nfs/dbraw/zinc/40/11/08/565401108.db2.gz SWAVAUXQUNNVOO-RXYHWBRQSA-N 1 0 396.329 2.963 20 0 GFADRO COc1cc(C)c(Br)cc1C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000620975924 565402846 /nfs/dbraw/zinc/40/28/46/565402846.db2.gz DMJXHGXPKUCSLY-AWEZNQCLSA-N 1 0 399.329 2.949 20 0 GFADRO C[NH+](C)CCC[C@H]1CN(C(=O)Cc2cscc2Br)CCO1 ZINC000620978131 565402904 /nfs/dbraw/zinc/40/29/04/565402904.db2.gz DVILOBPIRILFJW-ZDUSSCGKSA-N 1 0 375.332 2.622 20 0 GFADRO C[NH+](C)CCC[C@H]1CN(C(=O)c2cc(Br)c(F)cc2F)CCO1 ZINC000620976824 565403271 /nfs/dbraw/zinc/40/32/71/565403271.db2.gz MQEXQKBHPDSHQY-NSHDSACASA-N 1 0 391.256 2.910 20 0 GFADRO COc1ccc(Br)cc1CC(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000620969603 565403433 /nfs/dbraw/zinc/40/34/33/565403433.db2.gz DRMZNCIFEIUANH-MRXNPFEDSA-N 1 0 399.329 2.569 20 0 GFADRO O=C(NC[C@@H]1C[NH2+]CCCO1)N1CCC[C@H]1c1ccccc1Br ZINC000642000885 565404632 /nfs/dbraw/zinc/40/46/32/565404632.db2.gz DWZYTYSRKGVRMO-BBRMVZONSA-N 1 0 382.302 2.674 20 0 GFADRO CC(C)[C@H]1CN(C(=O)c2ccn(-c3cccc(Br)c3)n2)CC[NH2+]1 ZINC000621153372 565407859 /nfs/dbraw/zinc/40/78/59/565407859.db2.gz QTDSSGZKEZUMGV-MRXNPFEDSA-N 1 0 377.286 2.705 20 0 GFADRO O=C(C[C@H]1Sc2ccc(Cl)cc2NC1=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000594701643 565409384 /nfs/dbraw/zinc/40/93/84/565409384.db2.gz SCCBGNYPCJIEBD-CZUORRHYSA-N 1 0 379.913 2.743 20 0 GFADRO Cc1cccc2sc(C(=O)N3CCN(C(=O)C[NH+](C)C)CC3)c(Cl)c21 ZINC000642354953 565411020 /nfs/dbraw/zinc/41/10/20/565411020.db2.gz ARYLAKFVHLDQDK-UHFFFAOYSA-N 1 0 379.913 2.709 20 0 GFADRO C[C@H](NC1CC[NH+]([C@@H]2CCOC2)CC1)C(=O)Nc1ccccc1Br ZINC000663304410 565411102 /nfs/dbraw/zinc/41/11/02/565411102.db2.gz QGBNIWBMXUFWQS-DZGCQCFKSA-N 1 0 396.329 2.619 20 0 GFADRO CN([C@@H](C[NH3+])C(F)(F)F)S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000663312560 565411396 /nfs/dbraw/zinc/41/13/96/565411396.db2.gz ZGZIJCXYYJJJOX-VIFPVBQESA-N 1 0 384.729 2.869 20 0 GFADRO NC(=O)[C@H]([NH2+]C[C@@H]1CCN1Cc1ccccc1)c1cccc(Br)c1 ZINC000663311706 565411958 /nfs/dbraw/zinc/41/19/58/565411958.db2.gz POYJUWRCRGWQLI-ZWKOTPCHSA-N 1 0 388.309 2.840 20 0 GFADRO C[NH+]1CCN(C(C)(C)CNC(=O)Nc2ccc(Br)cc2F)CC1 ZINC000642396966 565412275 /nfs/dbraw/zinc/41/22/75/565412275.db2.gz WZJGRKFXMVJGOQ-UHFFFAOYSA-N 1 0 387.297 2.736 20 0 GFADRO O[C@@H](C[NH2+]C1CCN([C@H]2CCOC2)CC1)COc1cc(Cl)ccc1Cl ZINC000663362913 565414926 /nfs/dbraw/zinc/41/49/26/565414926.db2.gz FNFWKPWMVJJSQG-HOTGVXAUSA-N 1 0 389.323 2.576 20 0 GFADRO CC[C@@H]1CN(C(=O)C(=O)N[C@H]2CCSc3ccc(Cl)cc32)CC[C@@H]1[NH3+] ZINC000642692755 565416411 /nfs/dbraw/zinc/41/64/11/565416411.db2.gz YLSQGUOZPQEOQT-UGFHNGPFSA-N 1 0 381.929 2.579 20 0 GFADRO Cc1nc(C)c(Br)c(NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)n1 ZINC000663383819 565416397 /nfs/dbraw/zinc/41/63/97/565416397.db2.gz LBXGPALBGSRUNO-MRXNPFEDSA-N 1 0 391.313 2.687 20 0 GFADRO C[NH+](C)C(C)(C)CNC(=O)C(=O)Nc1ccccc1SCC(F)(F)F ZINC000642759970 565417535 /nfs/dbraw/zinc/41/75/35/565417535.db2.gz IIKHXIMJLBORQD-UHFFFAOYSA-N 1 0 377.432 2.736 20 0 GFADRO C[C@@H](C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1)c1cccc(Br)c1 ZINC000643205990 565424308 /nfs/dbraw/zinc/42/43/08/565424308.db2.gz RAWDXEJYTFXSPU-RHSMWYFYSA-N 1 0 394.357 2.837 20 0 GFADRO O=C(CC[C@H]1CCC[NH2+]C1)N[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000621645936 565434855 /nfs/dbraw/zinc/43/48/55/565434855.db2.gz NZQKKMQCCFRHTJ-GDBMZVCRSA-N 1 0 380.330 2.924 20 0 GFADRO [NH3+][C@@]12CCC[C@H]1CN(C(=O)c1cnn(-c3cccc(Br)c3)c1)C2 ZINC000621689540 565437089 /nfs/dbraw/zinc/43/70/89/565437089.db2.gz JGVDFCFHENCSPR-SUMWQHHRSA-N 1 0 375.270 2.588 20 0 GFADRO Cc1nc(C(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)nn1-c1c(Cl)cccc1Cl ZINC000621690682 565437102 /nfs/dbraw/zinc/43/71/02/565437102.db2.gz WRNOJCJESUKBSD-DIFFPNOSSA-N 1 0 380.279 2.836 20 0 GFADRO COC[C@@](C)(O)CC[NH2+]Cc1cc(Cl)ccc1I ZINC000594943480 565437324 /nfs/dbraw/zinc/43/73/24/565437324.db2.gz JJKOTDNKVQVJRK-ZDUSSCGKSA-N 1 0 383.657 2.822 20 0 GFADRO CN1CC[NH+](CCC(C)(C)Nc2nc(C3CC3)ncc2Br)CC1 ZINC000663812760 565437358 /nfs/dbraw/zinc/43/73/58/565437358.db2.gz BLXMMIQTOWAYAX-UHFFFAOYSA-N 1 0 382.350 2.945 20 0 GFADRO CS[C@H](CO)[C@@H](C)[NH2+][C@H]1CCc2ccc(I)cc21 ZINC000595010621 565442342 /nfs/dbraw/zinc/44/23/42/565442342.db2.gz VMIMVCOFNLXDIM-BIGNPOOSSA-N 1 0 377.291 2.981 20 0 GFADRO COCCN1CC[C@@H]([NH2+][C@H]2CCc3ccc(I)cc32)C1 ZINC000595020928 565443669 /nfs/dbraw/zinc/44/36/69/565443669.db2.gz VSMJHCXKPDCPAG-ZBFHGGJFSA-N 1 0 386.277 2.589 20 0 GFADRO [NH3+]CC[C@@H](NC(=O)NCC(F)(F)c1ccc(Br)cc1)C(F)F ZINC000621848680 565445047 /nfs/dbraw/zinc/44/50/47/565445047.db2.gz DWHGKFYAKWXARW-SNVBAGLBSA-N 1 0 386.187 2.823 20 0 GFADRO Brc1ccc2ncnc(N3CCC[C@H](N4CCOCC4)C3)c2c1 ZINC000663950516 565445303 /nfs/dbraw/zinc/44/53/03/565445303.db2.gz KUWKVDJOHPBGOW-AWEZNQCLSA-N 1 0 377.286 2.693 20 0 GFADRO COC(=O)CC(C)(C)C[C@H](C)[NH2+][C@H](C(N)=O)c1cccc(Br)c1 ZINC000595044912 565445761 /nfs/dbraw/zinc/44/57/61/565445761.db2.gz ADKGQFOBMGFBAC-NHYWBVRUSA-N 1 0 385.302 2.933 20 0 GFADRO CO[C@H](C[NH2+][C@@H]1CCc2ccc(I)cc21)[C@@H]1CCOC1 ZINC000595061130 565446520 /nfs/dbraw/zinc/44/65/20/565446520.db2.gz PJZGBSVRIVENLU-DAXOMENPSA-N 1 0 387.261 2.920 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)c2cc(Br)c[nH]c2=O)C[N@@H+]1Cc1ccccc1 ZINC000621911021 565448366 /nfs/dbraw/zinc/44/83/66/565448366.db2.gz QNJTWUSMGRLBCP-IUODEOHRSA-N 1 0 390.281 2.943 20 0 GFADRO O=C(c1cc(Br)c[nH]c1=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000621926949 565449687 /nfs/dbraw/zinc/44/96/87/565449687.db2.gz ZSOPYRFVSRBQLX-XHDPSFHLSA-N 1 0 380.286 2.639 20 0 GFADRO O=C([C@H]1C[NH2+]CCC1(F)F)N1CCc2c(F)cc(Br)cc2C1 ZINC000643978550 565454044 /nfs/dbraw/zinc/45/40/44/565454044.db2.gz CFXLPMOENJDMOR-GFCCVEGCSA-N 1 0 377.204 2.718 20 0 GFADRO [NH3+][C@]12CCC[C@@H]1CN(S(=O)(=O)c1cccc(Cl)c1Br)C2 ZINC000622014908 565455009 /nfs/dbraw/zinc/45/50/09/565455009.db2.gz MROAGBMXWSKNIL-RNCFNFMXSA-N 1 0 379.707 2.604 20 0 GFADRO [NH3+][C@@]12CCC[C@@H]1CN(S(=O)(=O)c1c(Cl)cccc1Br)C2 ZINC000622014888 565455323 /nfs/dbraw/zinc/45/53/23/565455323.db2.gz MJFXSRNCRFMSBQ-NOZJJQNGSA-N 1 0 379.707 2.604 20 0 GFADRO [NH3+][C@]12CCC[C@H]1CN(S(=O)(=O)c1cc(Br)sc1Cl)C2 ZINC000622013196 565455377 /nfs/dbraw/zinc/45/53/77/565455377.db2.gz MCNORAYRZWNDHJ-CPCISQLKSA-N 1 0 385.736 2.666 20 0 GFADRO FC(F)(CN[C@H](C1CC1)[C@@H]1C[NH2+]CCO1)c1ccc(Br)cc1 ZINC000622044397 565459491 /nfs/dbraw/zinc/45/94/91/565459491.db2.gz DIOILPXWYUQQNA-LSDHHAIUSA-N 1 0 375.257 2.898 20 0 GFADRO CCc1nc(C(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)nn1-c1c(Cl)cccc1Cl ZINC000644141478 565459724 /nfs/dbraw/zinc/45/97/24/565459724.db2.gz FCWHQSOGNKBWKU-UWVGGRQHSA-N 1 0 386.258 2.566 20 0 GFADRO CC(C)[C@@H](C(=O)Nc1nc2cc(I)ccc2[nH]1)[C@H](C)[NH3+] ZINC000595259377 565460118 /nfs/dbraw/zinc/46/01/18/565460118.db2.gz LPGJFSJQUJWHOY-QPUJVOFHSA-N 1 0 386.237 2.725 20 0 GFADRO C[C@H](C(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+])c1c(Cl)cccc1Cl ZINC000644123931 565460034 /nfs/dbraw/zinc/46/00/34/565460034.db2.gz YQPHVAHWIFJQKX-STQMWFEESA-N 1 0 386.323 2.943 20 0 GFADRO O=C(NCCC[C@@H]1CCC[NH2+]1)c1cnn(-c2ccc(Br)cc2)c1 ZINC000644132050 565460300 /nfs/dbraw/zinc/46/03/00/565460300.db2.gz WUHQVEJSOUYKHG-HNNXBMFYSA-N 1 0 377.286 2.897 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)N(C)C1(C[NH3+])CCC1 ZINC000644139809 565460654 /nfs/dbraw/zinc/46/06/54/565460654.db2.gz UYACUTMCNJGVKS-AWEZNQCLSA-N 1 0 384.567 2.691 20 0 GFADRO COc1cc2[nH+]ccc(N[C@@H]3CC[C@@H](C)S(=O)(=O)C3)c2cc1Br ZINC000664360155 565461637 /nfs/dbraw/zinc/46/16/37/565461637.db2.gz RLMFAZIBQINTAU-GHMZBOCLSA-N 1 0 399.310 2.805 20 0 GFADRO COc1cc(Br)ccc1CCCNC(=O)[C@@H]1C[NH2+]CCC1(F)F ZINC000644154228 565461770 /nfs/dbraw/zinc/46/17/70/565461770.db2.gz MLFGSSMRHCNYGD-ZDUSSCGKSA-N 1 0 391.256 2.751 20 0 GFADRO COc1cc(NC(=O)[C@H]2C[NH2+]CCC2(F)F)cc(OC)c1Br ZINC000644152949 565461806 /nfs/dbraw/zinc/46/18/06/565461806.db2.gz IQZVHSFAVFHOET-SECBINFHSA-N 1 0 379.201 2.650 20 0 GFADRO O=C(N[C@H]1CC12CC[NH2+]CC2)[C@@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1 ZINC000644146605 565461905 /nfs/dbraw/zinc/46/19/05/565461905.db2.gz YJWXPIQRDRSIHL-ABAIWWIYSA-N 1 0 382.291 2.605 20 0 GFADRO O[C@H]1CC[N@@H+](C2CCN(c3nnc(Cc4ccc(Cl)cc4)s3)CC2)C1 ZINC000664598734 565469226 /nfs/dbraw/zinc/46/92/26/565469226.db2.gz IOJZGRZFHGIPEI-INIZCTEOSA-N 1 0 378.929 2.818 20 0 GFADRO C[N@@H+]1C[C@H]2CCN(S(=O)(=O)c3ccc4nc(C(C)(C)C)sc4c3)[C@H]2C1 ZINC000644303735 565471355 /nfs/dbraw/zinc/47/13/55/565471355.db2.gz XHWAQMDUWKFOCJ-DOMZBBRYSA-N 1 0 379.551 2.918 20 0 GFADRO Cc1cccc(CNC(=O)NCCN2C[C@H](C)OC[C@H]2C)c1Br ZINC000664729725 565476039 /nfs/dbraw/zinc/47/60/39/565476039.db2.gz LSWRGVMMJZDGLD-KGLIPLIRSA-N 1 0 384.318 2.666 20 0 GFADRO O[C@@H](C[NH2+]CCN1Cc2ccccc2C1)COc1ccc(Br)cc1 ZINC000644528246 565480832 /nfs/dbraw/zinc/48/08/32/565480832.db2.gz UBCZRGGDPRHJLX-SFHVURJKSA-N 1 0 391.309 2.794 20 0 GFADRO O=C1CCCCN1CCC[NH2+]C[C@@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000644550416 565481984 /nfs/dbraw/zinc/48/19/84/565481984.db2.gz VNQPDRYTFQYYEL-CYBMUJFWSA-N 1 0 375.296 2.725 20 0 GFADRO O[C@@H](C[NH2+][C@@H]1CCN(C2CCCC2)C1)COc1ccc(Br)cc1 ZINC000644549928 565482022 /nfs/dbraw/zinc/48/20/22/565482022.db2.gz NNUIXGYDANMEHF-WBVHZDCISA-N 1 0 383.330 2.795 20 0 GFADRO C[C@H](C[C@@H]1CCOC1)[NH2+]C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000644593812 565484084 /nfs/dbraw/zinc/48/40/84/565484084.db2.gz LSZSHNFRAOUOAL-XUJVJEKNSA-N 1 0 376.266 2.733 20 0 GFADRO O[C@H](C[NH2+][C@H]1CCN(c2ccccn2)C1)COc1ccc(Cl)cc1Cl ZINC000644608321 565484311 /nfs/dbraw/zinc/48/43/11/565484311.db2.gz APOJKPPYNSPILJ-LSDHHAIUSA-N 1 0 382.291 2.997 20 0 GFADRO O=C(c1nc(C2CC2)ncc1Br)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000623064747 565492950 /nfs/dbraw/zinc/49/29/50/565492950.db2.gz FNRJBIHNAPQUSY-ZIAGYGMSSA-N 1 0 393.329 2.968 20 0 GFADRO Cc1nc(C(=O)N2CC[C@@H]3C[N@@H+](C)C[C@H]32)nn1-c1c(Cl)cccc1Cl ZINC000644818348 565496651 /nfs/dbraw/zinc/49/66/51/565496651.db2.gz LTZDBOCIFYSZRO-BXUZGUMPSA-N 1 0 380.279 2.659 20 0 GFADRO C[N@@H+]1C[C@@H]2CCN(C(=O)c3[nH]nc(-c4ccccc4)c3Br)[C@@H]2C1 ZINC000644822595 565496746 /nfs/dbraw/zinc/49/67/46/565496746.db2.gz LEMLECHCJFBBLE-QWHCGFSZSA-N 1 0 375.270 2.615 20 0 GFADRO CCOc1c(Br)cc(C(=O)N2CC[C@H]3C[N@H+](C)C[C@H]32)cc1OC ZINC000644820311 565496985 /nfs/dbraw/zinc/49/69/85/565496985.db2.gz VSESABQIGLXVAX-SMDDNHRTSA-N 1 0 383.286 2.633 20 0 GFADRO C[N@@H+]1C[C@H]2CCN(C(=O)c3[nH]nc(-c4ccccc4)c3Br)[C@H]2C1 ZINC000644822588 565497408 /nfs/dbraw/zinc/49/74/08/565497408.db2.gz LEMLECHCJFBBLE-OLZOCXBDSA-N 1 0 375.270 2.615 20 0 GFADRO O=C(C[C@H]1CCC[NH2+]1)NCc1cc(Cl)ccc1I ZINC000595937649 565499916 /nfs/dbraw/zinc/49/99/16/565499916.db2.gz IUKUQUNPUDZJQC-LLVKDONJSA-N 1 0 378.641 2.703 20 0 GFADRO [NH3+]C1(CNC(=O)c2ccc(I)c(Cl)c2)CCCC1 ZINC000595942462 565501047 /nfs/dbraw/zinc/50/10/47/565501047.db2.gz XTHKKXKSKXCZAE-UHFFFAOYSA-N 1 0 378.641 2.946 20 0 GFADRO CCC[NH2+][C@H](C)C(=O)NCc1cc(Cl)ccc1I ZINC000595939497 565501532 /nfs/dbraw/zinc/50/15/32/565501532.db2.gz XVSJUJIICNVAEG-SECBINFHSA-N 1 0 380.657 2.949 20 0 GFADRO Cc1nc2sccn2c(=O)c1CC[NH2+][C@H](C)c1ncc(Br)cn1 ZINC000645017335 565508016 /nfs/dbraw/zinc/50/80/16/565508016.db2.gz HZYZNNAAWMSOEI-SNVBAGLBSA-N 1 0 394.298 2.510 20 0 GFADRO C[C@@H](C[C@@H]1COCC[NH2+]1)NCc1cc(Cl)ccc1I ZINC000596652353 565530900 /nfs/dbraw/zinc/53/09/00/565530900.db2.gz SMVJUOUYTHJTHP-GXFFZTMASA-N 1 0 394.684 2.801 20 0 GFADRO CC[C@@H](O)CC[NH2+]Cc1cc(Cl)cc(Cl)c1OCCN1CCOCC1 ZINC000623451225 565512164 /nfs/dbraw/zinc/51/21/64/565512164.db2.gz OVDISSAFGKKSFM-MRXNPFEDSA-N 1 0 391.339 2.955 20 0 GFADRO O=C(COc1ccc(F)cc1Br)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000645112882 565513095 /nfs/dbraw/zinc/51/30/95/565513095.db2.gz TUNQTAXNPVDZBU-WFASDCNBSA-N 1 0 385.277 2.958 20 0 GFADRO Cn1nnc2cc(C[NH2+]CCCS(=O)(=O)c3ccc(Cl)cc3)ccc21 ZINC000645220835 565517989 /nfs/dbraw/zinc/51/79/89/565517989.db2.gz CWQBOUBLUDBNKT-UHFFFAOYSA-N 1 0 378.885 2.575 20 0 GFADRO OC[C@@H](CCF)[NH2+]Cc1cc(Cl)cc(Cl)c1OCCN1CCOCC1 ZINC000623560648 565518200 /nfs/dbraw/zinc/51/82/00/565518200.db2.gz NNRYXEGOJLATIE-OAHLLOKOSA-N 1 0 395.302 2.515 20 0 GFADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]CCN1Cc2ccccc2C1 ZINC000666085319 565522801 /nfs/dbraw/zinc/52/28/01/565522801.db2.gz DATUHIKDGWRMKT-CQSZACIVSA-N 1 0 376.298 2.605 20 0 GFADRO C[NH+]1CCC(NS(=O)(=O)Cc2ccc(Br)cc2Cl)CC1 ZINC000645441620 565526158 /nfs/dbraw/zinc/52/61/58/565526158.db2.gz GVMLNCGNGBPODY-UHFFFAOYSA-N 1 0 381.723 2.616 20 0 GFADRO CN1CCOC[C@H]1C[NH2+]Cc1csc(-c2cccc(Br)c2)n1 ZINC000623710430 565526388 /nfs/dbraw/zinc/52/63/88/565526388.db2.gz CEWAIVOWUKCHRN-OAHLLOKOSA-N 1 0 382.327 2.993 20 0 GFADRO O=C(Nc1ccc(Br)c(F)c1)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000666193263 565526808 /nfs/dbraw/zinc/52/68/08/565526808.db2.gz IIHKSBCYRGPREG-CYBMUJFWSA-N 1 0 386.265 2.963 20 0 GFADRO CO[C@@H](c1ccc(Br)cc1)[C@H](C)NC(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000623848059 565532674 /nfs/dbraw/zinc/53/26/74/565532674.db2.gz DILYHNLQOMGVGK-VBNZEHGJSA-N 1 0 384.318 2.919 20 0 GFADRO Cc1ccc(Br)cc1[C@H](C)[NH2+][C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000623879087 565533838 /nfs/dbraw/zinc/53/38/38/565533838.db2.gz XRMXGQYHRXUUCE-GXTWGEPZSA-N 1 0 375.332 2.832 20 0 GFADRO CC[C@H](CO)[NH+]1CCN(c2nccc(-c3ccc(Br)cc3)n2)CC1 ZINC000624004573 565538642 /nfs/dbraw/zinc/53/86/42/565538642.db2.gz LHZGNRWFRMTBQG-MRXNPFEDSA-N 1 0 391.313 2.799 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCN(c2ccc3nncn3n2)C1)c1cc(Br)cs1 ZINC000624115961 565544298 /nfs/dbraw/zinc/54/42/98/565544298.db2.gz GFYHRRFKSPJVPL-CMPLNLGQSA-N 1 0 393.314 2.878 20 0 GFADRO CCC(CC)[C@H](CNC(=O)Nc1cn(C)cc(Br)c1=O)[NH+](C)C ZINC000666692160 565549142 /nfs/dbraw/zinc/54/91/42/565549142.db2.gz JYSWAPXUWINUQU-AWEZNQCLSA-N 1 0 387.322 2.636 20 0 GFADRO O[C@@H](C[NH2+][C@H]1CCC[C@@H]2C[C@@H]21)COc1ccc(I)cc1 ZINC000597054424 565550479 /nfs/dbraw/zinc/55/04/79/565550479.db2.gz UIRZZKBJRVLLQR-XTBFLFJDSA-N 1 0 387.261 2.809 20 0 GFADRO Cc1cc(Br)c(F)cc1S(=O)(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000624367428 565553480 /nfs/dbraw/zinc/55/34/80/565553480.db2.gz UZYVYTWCNWVHQI-TXEJJXNPSA-N 1 0 391.306 2.517 20 0 GFADRO Cc1cc(Br)c(F)cc1S(=O)(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000624364867 565553794 /nfs/dbraw/zinc/55/37/94/565553794.db2.gz BZCLUSZARWWTGA-HNNXBMFYSA-N 1 0 391.306 2.661 20 0 GFADRO [NH3+]C[C@H]1CN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC[C@@H]1C(F)(F)F ZINC000624389971 565554721 /nfs/dbraw/zinc/55/47/21/565554721.db2.gz QTYZKBJPQBDWFE-CABZTGNLSA-N 1 0 390.349 2.853 20 0 GFADRO Cc1cc(Br)c(F)cc1NC(=O)NCCN(C)CCC[NH+](C)C ZINC000666734033 565555005 /nfs/dbraw/zinc/55/50/05/565555005.db2.gz DXNXTRSJOTWYJQ-UHFFFAOYSA-N 1 0 389.313 2.902 20 0 GFADRO Cc1nc2ccc(S(=O)(=O)N3CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C3)cc2s1 ZINC000624392695 565555442 /nfs/dbraw/zinc/55/54/42/565555442.db2.gz XHIUBDMHWCKSCQ-ZYHUDNBSSA-N 1 0 393.456 2.753 20 0 GFADRO C[N@@H+]1C[C@H]2CCN(S(=O)(=O)Cc3cc(Cl)ccc3Br)[C@@H]2C1 ZINC000645722225 565555558 /nfs/dbraw/zinc/55/55/58/565555558.db2.gz DVPNZHRDVQMBJD-QMTHXVAHSA-N 1 0 393.734 2.568 20 0 GFADRO COc1ccc(Br)c(NC(=O)Nc2cnn(CC[NH+](C)C)c2)c1 ZINC000624395485 565555804 /nfs/dbraw/zinc/55/58/04/565555804.db2.gz MDDKZFPBVJFILK-UHFFFAOYSA-N 1 0 382.262 2.860 20 0 GFADRO C[C@]12C[NH2+]C[C@@]1(C)CN(S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)C2 ZINC000624412739 565557068 /nfs/dbraw/zinc/55/70/68/565557068.db2.gz JSHJYNQIRLCXAM-OKILXGFUSA-N 1 0 382.835 2.979 20 0 GFADRO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)Nc1ccc(Cl)c(S(C)(=O)=O)c1 ZINC000666854215 565560820 /nfs/dbraw/zinc/56/08/20/565560820.db2.gz SYNJOCZPUVBWMK-ZDUSSCGKSA-N 1 0 387.933 2.985 20 0 GFADRO O=C(Nc1cc(Br)ccc1N1CCOCC1)N[C@H]1CCC[NH2+]CC1 ZINC000666869496 565561014 /nfs/dbraw/zinc/56/10/14/565561014.db2.gz HEPRSKDEAWUZAW-AWEZNQCLSA-N 1 0 397.317 2.549 20 0 GFADRO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)Nc1ccc(Cl)c(S(C)(=O)=O)c1 ZINC000666854214 565561408 /nfs/dbraw/zinc/56/14/08/565561408.db2.gz SYNJOCZPUVBWMK-CYBMUJFWSA-N 1 0 387.933 2.985 20 0 GFADRO C[NH+]1CCC2(CC1)CN(S(=O)(=O)c1cc(Cl)sc1Cl)CCO2 ZINC000645855810 565568767 /nfs/dbraw/zinc/56/87/67/565568767.db2.gz VGCHAGCYHOLOFE-UHFFFAOYSA-N 1 0 385.338 2.540 20 0 GFADRO Cc1cc(NC(=O)NCCN(C)CCC[NH+](C)C)c(F)cc1Br ZINC000667100081 565569455 /nfs/dbraw/zinc/56/94/55/565569455.db2.gz KJKWCJFJUOAHQC-UHFFFAOYSA-N 1 0 389.313 2.902 20 0 GFADRO C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)c1ccc(I)cc1F ZINC000597701236 565570628 /nfs/dbraw/zinc/57/06/28/565570628.db2.gz RIFNVJXTQOBVRM-TVQRCGJNSA-N 1 0 376.213 2.595 20 0 GFADRO Cc1cc(Br)ccc1[C@H]1CCCN1C(=O)NC[C@H]1COCCN1C ZINC000624731363 565573132 /nfs/dbraw/zinc/57/31/32/565573132.db2.gz MYPLQFFJPQWFSA-DOTOQJQBSA-N 1 0 396.329 2.935 20 0 GFADRO Cc1cc(Br)ccc1[C@@H]1CCCN1C(=O)NC[C@@H]1COCCN1C ZINC000624731985 565573163 /nfs/dbraw/zinc/57/31/63/565573163.db2.gz MYPLQFFJPQWFSA-WBVHZDCISA-N 1 0 396.329 2.935 20 0 GFADRO CC(C)Oc1cc(Br)cc(NC(=O)N2CCO[C@H]([C@H](C)[NH3+])C2)c1 ZINC000667173193 565574847 /nfs/dbraw/zinc/57/48/47/565574847.db2.gz ZFRNMVGFGAIPQP-NHYWBVRUSA-N 1 0 386.290 2.816 20 0 GFADRO CC1(C)C[C@@H](S(=O)(=O)N2CCCN(Cc3ccc(Cl)cc3)CC2)CO1 ZINC000624819175 565578076 /nfs/dbraw/zinc/57/80/76/565578076.db2.gz SMRCAJAAIIDAFB-QGZVFWFLSA-N 1 0 386.945 2.745 20 0 GFADRO O=C(Nc1cnn(-c2ccccc2Br)c1)N[C@@H]1CCC[NH2+]CC1 ZINC000667276243 565579979 /nfs/dbraw/zinc/57/99/79/565579979.db2.gz YMQMZFWGXJHROS-GFCCVEGCSA-N 1 0 378.274 2.898 20 0 GFADRO O=C(Nc1cnn(-c2ccccc2Br)c1)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000667276180 565580185 /nfs/dbraw/zinc/58/01/85/565580185.db2.gz BWKMZENAHAEMFK-IUODEOHRSA-N 1 0 390.285 2.851 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)Cc2ccccc2I)C1 ZINC000597921477 565581481 /nfs/dbraw/zinc/58/14/81/565581481.db2.gz FYGOPULIDHKVBX-CYBMUJFWSA-N 1 0 386.277 2.823 20 0 GFADRO CO[C@H]1CC[C@H](C(=O)Nc2cc(Br)ccc2N2CC[NH+](C)CC2)C1 ZINC000667350278 565582420 /nfs/dbraw/zinc/58/24/20/565582420.db2.gz BAJOMPVPTMWPPE-ZFWWWQNUSA-N 1 0 396.329 2.955 20 0 GFADRO CCCC[N@H+](C[C@@H]1CCCN(S(C)(=O)=O)C1)[C@H]1CCc2ncsc2C1 ZINC000646129503 565588316 /nfs/dbraw/zinc/58/83/16/565588316.db2.gz KDAUNOPZYPVTJA-HOTGVXAUSA-N 1 0 385.599 2.774 20 0 GFADRO Cc1c(F)c(Br)ccc1NC(=O)N[C@@H](C)CN1CC[NH+](C)CC1 ZINC000667500669 565589886 /nfs/dbraw/zinc/58/98/86/565589886.db2.gz XPCCFWNFMZMWOI-NSHDSACASA-N 1 0 387.297 2.654 20 0 GFADRO Cc1cc(Cl)cc(NC(=O)C(=O)N[C@@H]2CCC[NH2+]CC2)c1Br ZINC000667504870 565590914 /nfs/dbraw/zinc/59/09/14/565590914.db2.gz SZNAFVXQOUEURE-LLVKDONJSA-N 1 0 388.693 2.608 20 0 GFADRO Cc1c(F)c(Br)ccc1NC(=O)N1C[C@H](C)[N@@H+](CCO)C[C@@H]1C ZINC000667505707 565591511 /nfs/dbraw/zinc/59/15/11/565591511.db2.gz YBXXQPMEFDHIII-QWRGUYRKSA-N 1 0 388.281 2.815 20 0 GFADRO C[C@@H]([NH2+]C1CCC2(CC1)NC(=O)NC2=O)c1ccc(F)c(Br)c1 ZINC000646246459 565591638 /nfs/dbraw/zinc/59/16/38/565591638.db2.gz JJRKLJIIEHPDQT-GRBIUAATSA-N 1 0 384.249 2.760 20 0 GFADRO CC(C)c1cc(Br)ccc1NC(=O)C(=O)N1CCC(C)([NH3+])CC1 ZINC000667515294 565591988 /nfs/dbraw/zinc/59/19/88/565591988.db2.gz LWSGIWAFBTZWPJ-UHFFFAOYSA-N 1 0 382.302 2.851 20 0 GFADRO O=C(N[C@@H](CO)C[NH+]1CCCC1)c1ccccc1SCc1cscn1 ZINC000646224434 565592027 /nfs/dbraw/zinc/59/20/27/565592027.db2.gz UOWQHEGFYNYPDA-CQSZACIVSA-N 1 0 377.535 2.622 20 0 GFADRO COc1ccc(NC(=O)N2CCOC3(CC[NH+](C)CC3)C2)c(Br)c1 ZINC000646256271 565592701 /nfs/dbraw/zinc/59/27/01/565592701.db2.gz WTCNOBAXOLFXFJ-UHFFFAOYSA-N 1 0 398.301 2.786 20 0 GFADRO C[C@H](Cc1c(Cl)cccc1Cl)NC(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000646273301 565592798 /nfs/dbraw/zinc/59/27/98/565592798.db2.gz PQDRWRAPYBSKSG-NEPJUHHUSA-N 1 0 382.295 2.698 20 0 GFADRO Cc1c(Br)cccc1NC(=O)C(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000667534337 565593752 /nfs/dbraw/zinc/59/37/52/565593752.db2.gz XBJLTKFWCGRCGL-UHFFFAOYSA-N 1 0 394.313 2.688 20 0 GFADRO O=C(Nc1ccc(Cl)cc1C(F)(F)F)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000667541821 565593804 /nfs/dbraw/zinc/59/38/04/565593804.db2.gz BOZUXQUWIPIROZ-NOZJJQNGSA-N 1 0 375.778 2.508 20 0 GFADRO CCCN(C(=O)Nc1ccc(NS(C)(=O)=O)c(Cl)c1)[C@@H]1CC[N@H+](C)C1 ZINC000646280000 565594110 /nfs/dbraw/zinc/59/41/10/565594110.db2.gz OJNLGJVIBJSTNR-CYBMUJFWSA-N 1 0 388.921 2.660 20 0 GFADRO CC[C@@H]1CN(C(=O)Nc2ccc3nccnc3c2Br)CC[C@@H]1[NH3+] ZINC000667590694 565595408 /nfs/dbraw/zinc/59/54/08/565595408.db2.gz MTYVIGAGBPSAMV-MNOVXSKESA-N 1 0 378.274 2.983 20 0 GFADRO C[NH+]1CCC2(CC1)CN(C(=O)Nc1cc(F)ccc1Br)CCO2 ZINC000646306120 565595485 /nfs/dbraw/zinc/59/54/85/565595485.db2.gz CPYXAIXCCHRDGT-UHFFFAOYSA-N 1 0 386.265 2.917 20 0 GFADRO O=C1Nc2ccc(Br)cc2CC[C@H]1N1CC[NH+](CC2CC2)CC1 ZINC000625089143 565597486 /nfs/dbraw/zinc/59/74/86/565597486.db2.gz NQRZYFHENDJPOB-QGZVFWFLSA-N 1 0 378.314 2.730 20 0 GFADRO C[N@@H+]1CCC[C@H]1[C@@H]1COCCN1C(=O)CSc1cccc(Br)c1 ZINC000646446123 565603295 /nfs/dbraw/zinc/60/32/95/565603295.db2.gz XZBFKXQIFFLSBO-HOTGVXAUSA-N 1 0 399.354 2.863 20 0 GFADRO C[N@@H+]1CCC[C@H]1[C@@H]1COCCN1C(=O)CCc1cc(Br)cs1 ZINC000646444412 565603652 /nfs/dbraw/zinc/60/36/52/565603652.db2.gz MESBDUPRUNLNPR-GJZGRUSLSA-N 1 0 387.343 2.765 20 0 GFADRO C[N@@H+]1CCC[C@H]1[C@@H]1COCCN1C(=O)Cc1csc(-c2cccs2)n1 ZINC000646450832 565604249 /nfs/dbraw/zinc/60/42/49/565604249.db2.gz YYYSZWIDCPRNOJ-GJZGRUSLSA-N 1 0 377.535 2.736 20 0 GFADRO CCO[C@@H]1C[C@]([NH3+])(C(=O)N2CCc3cc(Br)ccc3C2)C1(C)C ZINC000646513083 565605079 /nfs/dbraw/zinc/60/50/79/565605079.db2.gz KIJINWGEURLHSP-QAPCUYQASA-N 1 0 381.314 2.866 20 0 GFADRO Cc1ccc(Br)cc1CNC(=O)[C@]1([NH3+])[C@H]2CCCO[C@@H]2C1(C)C ZINC000646519141 565606048 /nfs/dbraw/zinc/60/60/48/565606048.db2.gz HVVWVHQBXSRDRI-RLFYNMQTSA-N 1 0 381.314 2.906 20 0 GFADRO CNC(=O)CC1CC[NH+]([C@@H]2CCc3cc(Br)ccc3NC2=O)CC1 ZINC000625201903 565606590 /nfs/dbraw/zinc/60/65/90/565606590.db2.gz CGTAMWPAKNWQNN-MRXNPFEDSA-N 1 0 394.313 2.551 20 0 GFADRO [NH3+]CC[C@H](NC(=O)NCCCc1cccc(Br)c1)C(F)(F)F ZINC000667866371 565609809 /nfs/dbraw/zinc/60/98/09/565609809.db2.gz XBMCMPHYAQQEMW-LBPRGKRZSA-N 1 0 382.224 2.961 20 0 GFADRO Cc1ccc2c(Cl)c(C(=O)N3CCC[C@@H](C(=O)NCC[NH3+])C3)sc2c1 ZINC000646666614 565613431 /nfs/dbraw/zinc/61/34/31/565613431.db2.gz ATKGAJQXOVQANS-GFCCVEGCSA-N 1 0 379.913 2.790 20 0 GFADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1[C@@H]2c3cccc(Br)c3C[C@H]12 ZINC000625269535 565613958 /nfs/dbraw/zinc/61/39/58/565613958.db2.gz RWLIXHSWYKYFOS-UOAMXJAYSA-N 1 0 393.325 2.562 20 0 GFADRO C[C@@H](CNC(=O)c1cc(Br)cc2[nH]c(=O)[nH]c21)C[NH+]1CCCCC1 ZINC000646697558 565614450 /nfs/dbraw/zinc/61/44/50/565614450.db2.gz ALWICXFHKVDRJG-NSHDSACASA-N 1 0 395.301 2.883 20 0 GFADRO CCCN(C(=O)[C@@H]1CCN(c2cc(Cl)ccc2Cl)C1=O)[C@H]1CC[NH2+]C1 ZINC000646698847 565614492 /nfs/dbraw/zinc/61/44/92/565614492.db2.gz BCGIYMBDUACLBJ-KBPBESRZSA-N 1 0 384.307 2.947 20 0 GFADRO CN1CC[NH+](CC2(C)CCN(Cc3ccncc3Br)CC2)CC1 ZINC000625325040 565618526 /nfs/dbraw/zinc/61/85/26/565618526.db2.gz FNNJZXUXEUPDIS-UHFFFAOYSA-N 1 0 381.362 2.694 20 0 GFADRO Cc1cc(C)c(C(=O)N[C@@H](C)CN2CC[NH+](C)CC2)c(C)c1Br ZINC000625334947 565620647 /nfs/dbraw/zinc/62/06/47/565620647.db2.gz QSIGBDXTYSKBKV-AWEZNQCLSA-N 1 0 382.346 2.740 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CN(C(=O)COc2ccc3cc(Br)ccc3c2)CCO1 ZINC000646848289 565622913 /nfs/dbraw/zinc/62/29/13/565622913.db2.gz NWXNYBQBVHSEPI-SJKOYZFVSA-N 1 0 393.281 2.556 20 0 GFADRO COCC[NH+]1CCC(NC(=O)Nc2ccc(F)c(Br)c2F)CC1 ZINC000668046406 565625305 /nfs/dbraw/zinc/62/53/05/565625305.db2.gz VLSPAOUMLLDGOH-UHFFFAOYSA-N 1 0 392.244 2.960 20 0 GFADRO CC(C)[C@@H]1CN(C(=O)c2cc(F)ccc2I)CC[NH2+]1 ZINC000598569228 565627464 /nfs/dbraw/zinc/62/74/64/565627464.db2.gz BXORFXMJKVECCY-ZDUSSCGKSA-N 1 0 376.213 2.500 20 0 GFADRO C[N@@H+]1CCCC[C@@H](CNS(=O)(=O)c2cccc(Br)c2F)C1 ZINC000625423978 565629485 /nfs/dbraw/zinc/62/94/85/565629485.db2.gz HOOWLRAQLRNYOS-NSHDSACASA-N 1 0 379.295 2.598 20 0 GFADRO C[N@@H+]1CCCC[C@@H](CNS(=O)(=O)Cc2ccccc2Br)C1 ZINC000625425569 565629820 /nfs/dbraw/zinc/62/98/20/565629820.db2.gz QSUNHVKBNUQHGY-ZDUSSCGKSA-N 1 0 375.332 2.600 20 0 GFADRO CC[C@@H]1CN(C(=O)CNC(=O)c2sc3ccccc3c2Cl)CC[C@H]1[NH3+] ZINC000647006541 565632039 /nfs/dbraw/zinc/63/20/39/565632039.db2.gz RSFRBPCZOXSYDN-DGCLKSJQSA-N 1 0 379.913 2.870 20 0 GFADRO Cn1cc([C@H]2C[N@H+](Cc3ccncc3Br)CC23CCOCC3)cn1 ZINC000625456965 565632313 /nfs/dbraw/zinc/63/23/13/565632313.db2.gz WLECKJKCJGESKK-MRXNPFEDSA-N 1 0 391.313 2.974 20 0 GFADRO CC[C@H]1CN(C(=O)c2ccc(-n3cc(Br)cn3)cc2)CC[C@@H]1[NH3+] ZINC000647005984 565632316 /nfs/dbraw/zinc/63/23/16/565632316.db2.gz IRMDZRSLGUMFJL-LRDDRELGSA-N 1 0 377.286 2.834 20 0 GFADRO O=C(CC[C@H]1CCC[NH2+]C1)Nc1nc2cc(I)ccc2[nH]1 ZINC000598668142 565632730 /nfs/dbraw/zinc/63/27/30/565632730.db2.gz KXVOKPXJFFMZMN-SNVBAGLBSA-N 1 0 398.248 2.886 20 0 GFADRO CCN1CCC([N@@H+]2CCCN(Cc3ccncc3Br)CC2)CC1 ZINC000625481602 565632949 /nfs/dbraw/zinc/63/29/49/565632949.db2.gz FKJPILSJWMAPTN-UHFFFAOYSA-N 1 0 381.362 2.836 20 0 GFADRO COC(=O)[C@@H](NC(=O)CC[C@@H]1CCC[NH2+]C1)c1ccccc1Br ZINC000598669242 565633885 /nfs/dbraw/zinc/63/38/85/565633885.db2.gz XVQXPKHTNMHBDS-LRDDRELGSA-N 1 0 383.286 2.559 20 0 GFADRO [NH3+][C@@]12CCC[C@H]1CN(C(=O)c1ccc(Cl)c(I)c1)C2 ZINC000598669682 565633957 /nfs/dbraw/zinc/63/39/57/565633957.db2.gz MLQFKVOBVABIEH-IINYFYTJSA-N 1 0 390.652 2.898 20 0 GFADRO O=C(N[C@H]1CC12CC[NH2+]CC2)[C@@H](c1ccc(Br)cc1)N1CCCC1 ZINC000647056162 565634579 /nfs/dbraw/zinc/63/45/79/565634579.db2.gz UZRCIRAEJFKYCW-DLBZAZTESA-N 1 0 392.341 2.844 20 0 GFADRO O=C1[C@H](c2nc([C@H]3CCC[NH2+]3)no2)CCN1c1ccccc1Br ZINC000647152849 565641883 /nfs/dbraw/zinc/64/18/83/565641883.db2.gz OMVBSBZBXIIDIG-CMPLNLGQSA-N 1 0 377.242 2.777 20 0 GFADRO COCC[N@@H+]1CCC[C@@H](NC(=O)Cc2c(Cl)cccc2Br)C1 ZINC000668372377 565644143 /nfs/dbraw/zinc/64/41/43/565644143.db2.gz HGRVYMXDBMYLQM-GFCCVEGCSA-N 1 0 389.721 2.872 20 0 GFADRO COCC[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)Oc2ccc(Br)cc2)C1 ZINC000668373100 565645093 /nfs/dbraw/zinc/64/50/93/565645093.db2.gz YGTYRTBTRYVYFF-OAHLLOKOSA-N 1 0 399.329 2.834 20 0 GFADRO COCC[N@@H+]1CCC[C@H](NC(=O)C(C)(C)Oc2ccc(Br)cc2)C1 ZINC000668373098 565645117 /nfs/dbraw/zinc/64/51/17/565645117.db2.gz YGTYRTBTRYVYFF-HNNXBMFYSA-N 1 0 399.329 2.834 20 0 GFADRO O=S1(=O)CCC(C[NH2+]Cc2cc(OC(F)F)ccc2Br)CC1 ZINC000647196834 565645421 /nfs/dbraw/zinc/64/54/21/565645421.db2.gz OLYAWWIXUNWRBN-UHFFFAOYSA-N 1 0 398.269 2.965 20 0 GFADRO O=C(Cc1cscn1)NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000668408609 565645875 /nfs/dbraw/zinc/64/58/75/565645875.db2.gz YNWPGNGEULIIJV-UHFFFAOYSA-N 1 0 378.929 2.668 20 0 GFADRO C[C@H](CCS(C)(=O)=O)[NH2+]Cc1cc(OC(F)F)ccc1Br ZINC000647192724 565646446 /nfs/dbraw/zinc/64/64/46/565646446.db2.gz VNTZHAUDRSPCHY-SECBINFHSA-N 1 0 386.258 2.963 20 0 GFADRO O=C(N[C@H]1CC[N@H+](CC2CC2)C1)[C@@H]1CCO[C@H]1c1cncc(Br)c1 ZINC000668457974 565646580 /nfs/dbraw/zinc/64/65/80/565646580.db2.gz UZUWUGWMVALZFW-BBWFWOEESA-N 1 0 394.313 2.522 20 0 GFADRO Brc1ccc2c(c1)C=C(C[N@@H+]1CC[C@@H](Cn3ccnn3)C1)CO2 ZINC000668451618 565647432 /nfs/dbraw/zinc/64/74/32/565647432.db2.gz LJYYLOOENUNGGZ-CYBMUJFWSA-N 1 0 375.270 2.839 20 0 GFADRO C[NH+](C)C1(CNC(=O)[C@H]2[C@@H]3c4cccc(Br)c4C[C@H]23)CCOCC1 ZINC000625615035 565647510 /nfs/dbraw/zinc/64/75/10/565647510.db2.gz KWUATEDDIJQZJC-USXIJHARSA-N 1 0 393.325 2.562 20 0 GFADRO O=S(=O)(c1ccc(F)c(Br)c1)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647238039 565648052 /nfs/dbraw/zinc/64/80/52/565648052.db2.gz CRIIFLYJVXOPJV-ABAIWWIYSA-N 1 0 391.306 2.741 20 0 GFADRO O=S(=O)(c1cccc(Br)c1F)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647238783 565648461 /nfs/dbraw/zinc/64/84/61/565648461.db2.gz UWMCJKXQMZCXMD-YPMHNXCESA-N 1 0 391.306 2.741 20 0 GFADRO O=S(=O)(c1cccc(Br)c1F)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000647238781 565648476 /nfs/dbraw/zinc/64/84/76/565648476.db2.gz UWMCJKXQMZCXMD-DGCLKSJQSA-N 1 0 391.306 2.741 20 0 GFADRO COc1cc(Br)c(C[NH2+][C@H](CO)[C@H]2CCC[C@H](OC)C2)cc1O ZINC000668476996 565648850 /nfs/dbraw/zinc/64/88/50/565648850.db2.gz RLKORRDBACIPQA-CORIIIEPSA-N 1 0 388.302 2.819 20 0 GFADRO CO[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+][C@@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000668507550 565650971 /nfs/dbraw/zinc/65/09/71/565650971.db2.gz GKWSZZPSSVJAGP-XUWVNRHRSA-N 1 0 377.428 2.743 20 0 GFADRO O=S(=O)(c1ccc2ccccc2c1Br)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000647264867 565651034 /nfs/dbraw/zinc/65/10/34/565651034.db2.gz XBHNTZUVAKQXJB-UKRRQHHQSA-N 1 0 395.322 2.975 20 0 GFADRO Brc1ccc2c(c1)C=C(CN1CC[NH+]([C@H]3CCOC3)CC1)CO2 ZINC000668538452 565651756 /nfs/dbraw/zinc/65/17/56/565651756.db2.gz ZHGMOIJWBYFNEO-KRWDZBQOSA-N 1 0 379.298 2.631 20 0 GFADRO CCOCCOc1ccc(Br)cc1C[N@H+](C)C[C@@H]1COCCO1 ZINC000668543781 565653199 /nfs/dbraw/zinc/65/31/99/565653199.db2.gz XUUYTFPMCMQGEE-MRXNPFEDSA-N 1 0 388.302 2.712 20 0 GFADRO C[N@@H+](Cc1cc(Br)cc(Br)c1N)C[C@H]1COCCO1 ZINC000668545050 565653469 /nfs/dbraw/zinc/65/34/69/565653469.db2.gz KYSWBSSYQNXQCM-NSHDSACASA-N 1 0 394.107 2.641 20 0 GFADRO C[C@H]1C[C@H](NS(=O)(=O)Cc2ccc(Br)cc2Cl)CC[NH2+]1 ZINC000647276779 565653393 /nfs/dbraw/zinc/65/33/93/565653393.db2.gz HTSNJSHCQYBPFI-JOYOIKCWSA-N 1 0 381.723 2.662 20 0 GFADRO CC1(C)CCC(C)(C)N(CC(=O)Nc2cc(S(N)(=O)=O)ccc2Cl)C1 ZINC000625722944 565656731 /nfs/dbraw/zinc/65/67/31/565656731.db2.gz HATCNKUBYWQXQG-UHFFFAOYSA-N 1 0 387.933 2.827 20 0 GFADRO C[C@@H]([NH3+])C[C@@H](C)NS(=O)(=O)c1ccc(Br)cc1C(F)(F)F ZINC000647335847 565657996 /nfs/dbraw/zinc/65/79/96/565657996.db2.gz XYXCKKOUNSBSOF-HTQZYQBOSA-N 1 0 389.237 2.872 20 0 GFADRO CC(C)c1nnc(C[NH2+][C@@]2(CO)CCc3cc(Br)ccc3C2)[nH]1 ZINC000625796139 565660352 /nfs/dbraw/zinc/66/03/52/565660352.db2.gz GLVGWJZVRGDRQZ-KRWDZBQOSA-N 1 0 379.302 2.700 20 0 GFADRO CN(C)C(=O)N(C)[C@H]1CC[N@H+](CC2=Cc3cc(Br)ccc3OC2)C1 ZINC000668689137 565660789 /nfs/dbraw/zinc/66/07/89/565660789.db2.gz WWOVKTIQHJJKPB-INIZCTEOSA-N 1 0 394.313 2.913 20 0 GFADRO COc1ccc(C[NH2+][C@@]2(CO)CCc3cc(Br)ccc3C2)nc1 ZINC000625796772 565660783 /nfs/dbraw/zinc/66/07/83/565660783.db2.gz MGMOZAKOGZRBEJ-SFHVURJKSA-N 1 0 377.282 2.862 20 0 GFADRO CCN(C(=O)C(=O)NCCc1cc(Cl)cc(Cl)c1)[C@@H]1CC[N@H+](CC)C1 ZINC000668667359 565661065 /nfs/dbraw/zinc/66/10/65/565661065.db2.gz WAKZGVMMAODQGV-MRXNPFEDSA-N 1 0 386.323 2.595 20 0 GFADRO O[C@@H](CCc1ccccc1)C[NH2+]C[C@H](O)COc1ccc(Br)cc1 ZINC000647529247 565662961 /nfs/dbraw/zinc/66/29/61/565662961.db2.gz SYSGXXZCOADRRN-ROUUACIJSA-N 1 0 394.309 2.772 20 0 GFADRO OC[C@H](Cc1ccccc1)[NH2+]C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000647522586 565663033 /nfs/dbraw/zinc/66/30/33/565663033.db2.gz SVJOIOOYTKNGLI-IRXDYDNUSA-N 1 0 398.272 2.521 20 0 GFADRO Nc1ccc(C[N@@H+]2CCC[C@H](C(=O)Nc3ccc(Br)cn3)C2)cn1 ZINC000647537512 565663925 /nfs/dbraw/zinc/66/39/25/565663925.db2.gz JMGRNAATBFAZKI-ZDUSSCGKSA-N 1 0 390.285 2.672 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)Nc2cc(Br)ccn2)CC[C@H]1C(F)(F)F ZINC000625882342 565664234 /nfs/dbraw/zinc/66/42/34/565664234.db2.gz HRVZZRZTFKGHDN-PSASIEDQSA-N 1 0 381.196 2.835 20 0 GFADRO [NH3+]C1(CNC(=O)Nc2cccc3cc(Br)cnc32)CCOCC1 ZINC000625887642 565664306 /nfs/dbraw/zinc/66/43/06/565664306.db2.gz RNLKYJXMJGAVLZ-UHFFFAOYSA-N 1 0 379.258 2.627 20 0 GFADRO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N1CC[C@@H]1c1ccc(Br)cc1 ZINC000668776995 565665594 /nfs/dbraw/zinc/66/55/94/565665594.db2.gz LFNBPIOSDOVFQC-XJKSGUPXSA-N 1 0 396.329 2.569 20 0 GFADRO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N1CC[C@H]1c1ccc(Br)cc1 ZINC000668776992 565666000 /nfs/dbraw/zinc/66/60/00/565666000.db2.gz LFNBPIOSDOVFQC-BBRMVZONSA-N 1 0 396.329 2.569 20 0 GFADRO CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NC[C@H](C)c2c(Cl)cccc2Cl)C1 ZINC000668781417 565666397 /nfs/dbraw/zinc/66/63/97/565666397.db2.gz STNHCYSBMXNJMV-QWHCGFSZSA-N 1 0 386.323 2.814 20 0 GFADRO COc1ccc(CN2CCO[C@@H](CCC[NH+](C)C)C2)c(Br)c1O ZINC000668785037 565666517 /nfs/dbraw/zinc/66/65/17/565666517.db2.gz LUJWROGPDAQRMU-AWEZNQCLSA-N 1 0 387.318 2.706 20 0 GFADRO Cn1nc2cc(Br)ccc2c1C(=O)N(C1CC1)C1CC[NH2+]CC1 ZINC000647644189 565669724 /nfs/dbraw/zinc/66/97/24/565669724.db2.gz BMGHGPSVRFAAIP-UHFFFAOYSA-N 1 0 377.286 2.692 20 0 GFADRO O=C(Cc1ccc(Br)cc1F)N1CC[NH+](CC2CCOCC2)CC1 ZINC000668921635 565670165 /nfs/dbraw/zinc/67/01/65/565670165.db2.gz BNTPAFNRGXHGMC-UHFFFAOYSA-N 1 0 399.304 2.702 20 0 GFADRO O=C1Nc2ccc(Br)cc2CC[C@H]1[N@@H+]1C[C@@H]2CCC[C@]2(CO)C1 ZINC000626015855 565671299 /nfs/dbraw/zinc/67/12/99/565671299.db2.gz QKBHPXHMOXOQGE-FDQGKXFDSA-N 1 0 379.298 2.797 20 0 GFADRO O=C(N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1)C1(c2ccc(Br)cc2)CCC1 ZINC000647709565 565672412 /nfs/dbraw/zinc/67/24/12/565672412.db2.gz YTYUQXDRYNYESD-IAGOWNOFSA-N 1 0 393.325 2.538 20 0 GFADRO COc1cc(C(=O)N2CC[C@H](OCC[NH+]3CCCC3)C2)ccc1Br ZINC000626122078 565676315 /nfs/dbraw/zinc/67/63/15/565676315.db2.gz HZOHCQCPGMQMDH-HNNXBMFYSA-N 1 0 397.313 2.785 20 0 GFADRO C[N@@H+]1CCC[C@H]1[C@H]1COCCN1C(=O)c1[nH]c2ccccc2c1Br ZINC000647821067 565677723 /nfs/dbraw/zinc/67/77/23/565677723.db2.gz BRICSOIUINXZKQ-LSDHHAIUSA-N 1 0 392.297 2.866 20 0 GFADRO Cc1noc([C@@H]2OCC[C@@H]2[NH2+]CCC(=O)Nc2ccc(Br)cc2)n1 ZINC000626144602 565678222 /nfs/dbraw/zinc/67/82/22/565678222.db2.gz KYJCNWRWVUHHFA-DZGCQCFKSA-N 1 0 395.257 2.589 20 0 GFADRO Cc1noc([C@@H]2OCC[C@@H]2[NH2+]C[C@H](O)COc2ccc(Cl)cc2Cl)n1 ZINC000626146272 565678232 /nfs/dbraw/zinc/67/82/32/565678232.db2.gz UKRAYILEOXDJCR-CORIIIEPSA-N 1 0 388.251 2.544 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(Br)cc3[nH]c(=O)[nH]c32)[C@H](C)C1 ZINC000669124398 565678655 /nfs/dbraw/zinc/67/86/55/565678655.db2.gz OXQFPBCDCKYGDR-QMTHXVAHSA-N 1 0 395.301 2.833 20 0 GFADRO O=C(CN1CC[C@]2(C1)CCC[NH2+]C2)Nc1c(F)cc(F)cc1Br ZINC000647957117 565685044 /nfs/dbraw/zinc/68/50/44/565685044.db2.gz RZOQVMCOMKZVKZ-MRXNPFEDSA-N 1 0 388.256 2.741 20 0 GFADRO COc1cc(C(=O)N2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)ccc1Br ZINC000626227503 565685231 /nfs/dbraw/zinc/68/52/31/565685231.db2.gz VPHHRGZHVWIAOB-JLJPHGGASA-N 1 0 397.313 2.781 20 0 GFADRO O=C(NCC[NH2+]C1CC1)NCC1(c2cccc(Br)c2)CCOCC1 ZINC000669399130 565687263 /nfs/dbraw/zinc/68/72/63/565687263.db2.gz PAVHANSJXOXGRD-UHFFFAOYSA-N 1 0 396.329 2.549 20 0 GFADRO CC1([NH3+])CCN(C(=O)NC[C@@H]2CCN(c3cccc(Br)c3)C2)CC1 ZINC000669410975 565687772 /nfs/dbraw/zinc/68/77/72/565687772.db2.gz AIMALDCRDPEUGT-AWEZNQCLSA-N 1 0 395.345 2.798 20 0 GFADRO O=C(NC[C@H]1CCN(c2cccc(Br)c2)C1)NC[C@@H]1CCCC[NH2+]1 ZINC000669411046 565688356 /nfs/dbraw/zinc/68/83/56/565688356.db2.gz SQDPOGDBLZOHTM-ZBFHGGJFSA-N 1 0 395.345 2.717 20 0 GFADRO Cn1cnnc1Sc1ccc(NC(=O)[C@H]2C[NH2+]CCC2(F)F)cc1Cl ZINC000648044920 565688666 /nfs/dbraw/zinc/68/86/66/565688666.db2.gz HGDMRJGFEIJXRU-SNVBAGLBSA-N 1 0 387.843 2.803 20 0 GFADRO COC[C@]1(CO)CCN(Cc2cc(OC(F)F)ccc2Br)C1 ZINC000648041610 565688833 /nfs/dbraw/zinc/68/88/33/565688833.db2.gz YNFGAMWASKIOGS-OAHLLOKOSA-N 1 0 380.229 2.881 20 0 GFADRO [NH3+]C[C@@H]1CCCN(C(=O)NCc2cc(Br)ccc2OC(F)F)C1 ZINC000669437214 565689247 /nfs/dbraw/zinc/68/92/47/565689247.db2.gz OGOMGEPGAOFMNC-JTQLQIEISA-N 1 0 392.244 2.931 20 0 GFADRO CC[NH2+][C@H](C)CNC(=O)c1c(C)nn(-c2ccc(Br)cc2)c1C ZINC000648129773 565691057 /nfs/dbraw/zinc/69/10/57/565691057.db2.gz MRDXYIMRXQAAFU-LLVKDONJSA-N 1 0 379.302 2.979 20 0 GFADRO C[C@@H](CNC(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1)Oc1ccc(Br)cc1 ZINC000669506341 565691337 /nfs/dbraw/zinc/69/13/37/565691337.db2.gz URQWJXZXXIWZGN-AFAVFJNCSA-N 1 0 396.329 2.904 20 0 GFADRO CC[C@@H]1CN(C(=O)NC[C@@H](C)Oc2cccc(Br)c2)CC[C@@H]1[NH3+] ZINC000669505901 565691708 /nfs/dbraw/zinc/69/17/08/565691708.db2.gz QXWLNMLPWSUJLD-IOASZLSFSA-N 1 0 384.318 2.985 20 0 GFADRO COc1cc(Br)ccc1CCCNC(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000669557525 565692051 /nfs/dbraw/zinc/69/20/51/565692051.db2.gz SUJBIMXTIBGTTA-XJKSGUPXSA-N 1 0 396.329 2.784 20 0 GFADRO COc1cc(NC(=O)C2([NH3+])Cc3ccccc3C2)cc(OC)c1Br ZINC000648163540 565692107 /nfs/dbraw/zinc/69/21/07/565692107.db2.gz KRTFEMRVLMTSFT-UHFFFAOYSA-N 1 0 391.265 2.901 20 0 GFADRO COC(=O)c1cc(Br)c(F)cc1NC(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000599604264 565692449 /nfs/dbraw/zinc/69/24/49/565692449.db2.gz OEWQKKITZVZYGY-IUCAKERBSA-N 1 0 388.237 2.637 20 0 GFADRO CC[C@@H]1CN(C(=O)N[C@H]2COc3cc(F)c(Br)cc32)CC[C@@H]1[NH3+] ZINC000669581117 565694708 /nfs/dbraw/zinc/69/47/08/565694708.db2.gz RXQNZHAYMHIRCW-IIMNLJJBSA-N 1 0 386.265 2.791 20 0 GFADRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1c2ccc(Br)cc2nn1C ZINC000648299214 565701819 /nfs/dbraw/zinc/70/18/19/565701819.db2.gz HUICDUINUANVOV-IAQYHMDHSA-N 1 0 379.302 2.748 20 0 GFADRO Cc1cc(CNC(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)ccc1I ZINC000599916992 565705685 /nfs/dbraw/zinc/70/56/85/565705685.db2.gz QYEZUCYDSDTPIP-WCQYABFASA-N 1 0 387.265 2.539 20 0 GFADRO CN(CCOCC[NH3+])C(=O)NCCSCc1ccc(Cl)cc1Cl ZINC000599918911 565706013 /nfs/dbraw/zinc/70/60/13/565706013.db2.gz SRUNIJYGMKWHAS-UHFFFAOYSA-N 1 0 380.341 2.843 20 0 GFADRO Cc1cc(C)c(C(=O)N2CCC[C@@](O)(C[NH+](C)C)C2)c(C)c1Br ZINC000626677702 565708200 /nfs/dbraw/zinc/70/82/00/565708200.db2.gz QLAQFWGTQAAMJJ-GOSISDBHSA-N 1 0 383.330 2.903 20 0 GFADRO C[C@@H](CCCC[NH3+])NC(=O)C(=O)Nc1cc(Cl)c(Br)cc1F ZINC000626836757 565712012 /nfs/dbraw/zinc/71/20/12/565712012.db2.gz BRYFOLYYHLXIRD-QMMMGPOBSA-N 1 0 394.672 2.814 20 0 GFADRO CN(CCC[NH2+]C1CC(c2ccc(Br)cc2F)C1)S(C)(=O)=O ZINC000648419055 565712458 /nfs/dbraw/zinc/71/24/58/565712458.db2.gz HLDPWKWVPIOGHS-UHFFFAOYSA-N 1 0 393.322 2.705 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)C(=O)Nc2ccc(Cl)cc2Cl)CC[C@@H]1C(F)(F)F ZINC000626861173 565713310 /nfs/dbraw/zinc/71/33/10/565713310.db2.gz LMHNLXKPMABIAZ-WPRPVWTQSA-N 1 0 398.212 2.918 20 0 GFADRO CC1(C)CN(Cc2ccnc3c(Br)cccc23)CC[N@@H+]1CCO ZINC000648535761 565716992 /nfs/dbraw/zinc/71/69/92/565716992.db2.gz XEKBYUYNAVWMIE-UHFFFAOYSA-N 1 0 378.314 2.886 20 0 GFADRO [NH3+]CC1(NC(=O)NCc2cnc(-c3ccc(Cl)cc3)s2)CCOCC1 ZINC000627031875 565720746 /nfs/dbraw/zinc/72/07/46/565720746.db2.gz DXXGGEOUSFESSN-UHFFFAOYSA-N 1 0 380.901 2.771 20 0 GFADRO C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)N[C@@H](c1cncc(Br)c1)C1CC1)C2 ZINC000627032788 565720787 /nfs/dbraw/zinc/72/07/87/565720787.db2.gz XXHNJVJABWMGCR-NXHRZFHOSA-N 1 0 393.329 2.936 20 0 GFADRO O=C(c1ccc(Br)cc1F)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000670392535 565721309 /nfs/dbraw/zinc/72/13/09/565721309.db2.gz CDKXGHMKOGAOPP-AWEZNQCLSA-N 1 0 385.277 2.915 20 0 GFADRO O=C(NC[C@@H]1COCC[NH2+]1)N[C@H]1CCCCc2cc(Br)ccc21 ZINC000627117535 565722999 /nfs/dbraw/zinc/72/29/99/565722999.db2.gz HNYBYNDLMNQUNM-ZBFHGGJFSA-N 1 0 382.302 2.504 20 0 GFADRO [NH3+]C1(CNC(=O)N2CCc3sccc3[C@@H]2c2cccs2)CCOCC1 ZINC000627153236 565724021 /nfs/dbraw/zinc/72/40/21/565724021.db2.gz SJQSNAJZBONDKE-MRXNPFEDSA-N 1 0 377.535 2.975 20 0 GFADRO CC1CC[NH+](CCNC(=O)C(=O)NCCc2ccc(Cl)cc2Cl)CC1 ZINC000670496516 565726050 /nfs/dbraw/zinc/72/60/50/565726050.db2.gz RJFHSBLNQKQOAR-UHFFFAOYSA-N 1 0 386.323 2.500 20 0 GFADRO C[C@@H]1[C@H](C(=O)NC2(c3ccc(Br)cc3)CCOCC2)CC[N@@H+]1C ZINC000648746030 565726464 /nfs/dbraw/zinc/72/64/64/565726464.db2.gz FOERFYOSNJIWKD-CZUORRHYSA-N 1 0 381.314 2.911 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)NCc2csc(C(F)(F)F)c2)CC12CCOCC2 ZINC000627224690 565727330 /nfs/dbraw/zinc/72/73/30/565727330.db2.gz NMESZMZAVWDOME-GFCCVEGCSA-N 1 0 377.432 2.664 20 0 GFADRO O=C(CCC(=O)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1)c1cc(Cl)sc1Cl ZINC000627259858 565727873 /nfs/dbraw/zinc/72/78/73/565727873.db2.gz ADHRLSPUHZXGSM-WDEREUQCSA-N 1 0 391.320 2.685 20 0 GFADRO O=C(CCCCc1ccc(Br)cc1)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000627256196 565728650 /nfs/dbraw/zinc/72/86/50/565728650.db2.gz IAWDQUGSKQEITI-ROUUACIJSA-N 1 0 395.341 2.829 20 0 GFADRO C[C@H](CC(=O)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1)c1ccc(F)c(Br)c1 ZINC000627268214 565730310 /nfs/dbraw/zinc/73/03/10/565730310.db2.gz YYHOEITWFKOMMT-YUELXQCFSA-N 1 0 399.304 2.749 20 0 GFADRO O=C(c1cc(Cl)cc(Br)c1F)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000627264027 565730821 /nfs/dbraw/zinc/73/08/21/565730821.db2.gz MXJROGXBQUJYKJ-GHMZBOCLSA-N 1 0 391.668 2.523 20 0 GFADRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1c2ccc(Br)cc2nn1C ZINC000648822188 565732308 /nfs/dbraw/zinc/73/23/08/565732308.db2.gz NGQUYCKQWMBAOT-BONVTDFDSA-N 1 0 377.286 2.548 20 0 GFADRO C[C@@H](NC(=O)C(=O)N[C@@H]1CCC[N@H+](C)C1)c1cc(F)c(Cl)cc1Cl ZINC000670621834 565735100 /nfs/dbraw/zinc/73/51/00/565735100.db2.gz LZKFOAJAMKORHO-NXEZZACHSA-N 1 0 376.259 2.520 20 0 GFADRO C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000627446623 565737676 /nfs/dbraw/zinc/73/76/76/565737676.db2.gz QRBPWDXCOXUIRB-XHDPSFHLSA-N 1 0 384.307 2.914 20 0 GFADRO Cc1cc(C)c(C(=O)NC[C@@H]2CCC[N@@H+]2CCCO)c(C)c1Br ZINC000627570525 565740682 /nfs/dbraw/zinc/74/06/82/565740682.db2.gz LLBMUSKFZJUSQM-HNNXBMFYSA-N 1 0 383.330 2.951 20 0 GFADRO CCCN(C(=O)c1c(C)nc2ccc(Br)cn21)[C@@H]1CC[N@H+](C)C1 ZINC000648995993 565744545 /nfs/dbraw/zinc/74/45/45/565744545.db2.gz KNMJSHADNQNIEG-CQSZACIVSA-N 1 0 379.302 2.962 20 0 GFADRO C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000627647185 565745061 /nfs/dbraw/zinc/74/50/61/565745061.db2.gz QDCCZLXCVDBQAH-NYMYIZQJSA-N 1 0 387.705 2.888 20 0 GFADRO C[C@H](NC(=O)C(=O)N1CC[C@@H]2CC[N@H+](C)C[C@H]21)c1cc(Cl)ccc1Cl ZINC000670927315 565745284 /nfs/dbraw/zinc/74/52/84/565745284.db2.gz ZSIGWQPDJBXYKK-MQIPJXDCSA-N 1 0 384.307 2.723 20 0 GFADRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)c1sc2cc(F)ccc2c1Cl ZINC000649080087 565746237 /nfs/dbraw/zinc/74/62/37/565746237.db2.gz QCVXULIOBBQLRO-JTQLQIEISA-N 1 0 383.876 2.886 20 0 GFADRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)[C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 ZINC000649074340 565746433 /nfs/dbraw/zinc/74/64/33/565746433.db2.gz GMQLFGALOYMTAS-LYRGGWFBSA-N 1 0 384.307 2.675 20 0 GFADRO O=C(Cc1ccc(Br)s1)N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000627739470 565749772 /nfs/dbraw/zinc/74/97/72/565749772.db2.gz DVKKUKKFTNVMKO-UHFFFAOYSA-N 1 0 387.343 2.766 20 0 GFADRO C[NH+]1CCC2(CC1)CN(C(=O)C1(c3cccc(Br)c3)CC1)CCO2 ZINC000649134534 565750195 /nfs/dbraw/zinc/75/01/95/565750195.db2.gz AUMJZFHYVQOFDJ-UHFFFAOYSA-N 1 0 393.325 2.804 20 0 GFADRO C[NH+]1CCC2(CC1)CN(C(=O)Cc1csc(-c3cccs3)n1)CCO2 ZINC000649135780 565750600 /nfs/dbraw/zinc/75/06/00/565750600.db2.gz HEJXQCOWOBRQRS-UHFFFAOYSA-N 1 0 377.535 2.737 20 0 GFADRO Cc1cc(NC(=O)C(=O)NC[C@H]2CCCC[N@@H+](C)C2)ccc1Br ZINC000627829075 565756450 /nfs/dbraw/zinc/75/64/50/565756450.db2.gz UQLGYEIMINAAIW-CYBMUJFWSA-N 1 0 382.302 2.544 20 0 GFADRO CC[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC000649322181 565758347 /nfs/dbraw/zinc/75/83/47/565758347.db2.gz DALSQDAWWABTFR-XWTMOSNGSA-N 1 0 392.341 2.510 20 0 GFADRO CN(C)c1ncc(Br)cc1C(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000649363602 565759799 /nfs/dbraw/zinc/75/97/99/565759799.db2.gz IFFZYUSCHWKGPK-KGLIPLIRSA-N 1 0 395.345 2.762 20 0 GFADRO CS(=O)(=O)N1CC(C[NH2+][C@@H]2CCC[C@@H]2c2cccc(C(F)(F)F)c2)C1 ZINC000671300155 565760906 /nfs/dbraw/zinc/76/09/06/565760906.db2.gz XAGMHAWFSFOTEY-HZPDHXFCSA-N 1 0 376.444 2.823 20 0 GFADRO O=C(NC[C@@H]1CC[N@@H+]1C1CCCC1)C(=O)Nc1ccc(Br)cc1 ZINC000627905531 565762035 /nfs/dbraw/zinc/76/20/35/565762035.db2.gz OAVAQTVOGWBGGG-HNNXBMFYSA-N 1 0 380.286 2.521 20 0 GFADRO C[N@@H+]1CCC[C@@H]1CN1CCC(C(=O)Nc2ccc(Br)cn2)CC1 ZINC000649554639 565765274 /nfs/dbraw/zinc/76/52/74/565765274.db2.gz HTAHSKZEUJQJLS-OAHLLOKOSA-N 1 0 381.318 2.589 20 0 GFADRO C[N@@H+](Cc1cccc(Br)c1OC[C@@H]1CCCO1)C[C@@H]1CCC(=O)N1 ZINC000649592086 565768036 /nfs/dbraw/zinc/76/80/36/565768036.db2.gz UEGGTONGXIHZGF-GJZGRUSLSA-N 1 0 397.313 2.717 20 0 GFADRO CC(C)(C)OC(=O)COCC[NH2+]Cc1cn2ccc(Br)cc2n1 ZINC000601144566 565768720 /nfs/dbraw/zinc/76/87/20/565768720.db2.gz MEBPOCVVUVMWGG-UHFFFAOYSA-N 1 0 384.274 2.545 20 0 GFADRO C[C@@](CO)([NH2+]C[C@H](O)COc1ccc(Cl)c(Cl)c1)c1cccc(O)c1 ZINC000649624764 565769421 /nfs/dbraw/zinc/76/94/21/565769421.db2.gz UMQUCDSBGKRDRW-KSSFIOAISA-N 1 0 386.275 2.936 20 0 GFADRO Cc1cc(Br)c(F)c(C(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)c1 ZINC000628146482 565776323 /nfs/dbraw/zinc/77/63/23/565776323.db2.gz PATINCGKRUXXOQ-CYBMUJFWSA-N 1 0 385.277 2.568 20 0 GFADRO C[C@]1(C[NH2+]Cc2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)CCCS1 ZINC000628209536 565780370 /nfs/dbraw/zinc/78/03/70/565780370.db2.gz JJNMXWCWIMGHST-SJLPKXTDSA-N 1 0 384.567 2.519 20 0 GFADRO O=S(=O)(C1CC1)N1CCC([NH2+]CCc2cccc(C(F)(F)F)c2)CC1 ZINC000628228666 565780828 /nfs/dbraw/zinc/78/08/28/565780828.db2.gz WJNWQUOPERPLPF-UHFFFAOYSA-N 1 0 376.444 2.794 20 0 GFADRO O=S1(=O)CCCN1C1CC[NH+](CCc2cccc(C(F)(F)F)c2)CC1 ZINC000628310247 565783240 /nfs/dbraw/zinc/78/32/40/565783240.db2.gz ULHCHGOKMUWGEE-UHFFFAOYSA-N 1 0 376.444 2.748 20 0 GFADRO C[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCOc4ccc(Br)cc43)C2)C1 ZINC000650051716 565794590 /nfs/dbraw/zinc/79/45/90/565794590.db2.gz IBBOZOVTNWWYED-KSSFIOAISA-N 1 0 379.298 2.869 20 0 GFADRO CC[C@@H](CO)[NH+]1CCN(c2ccc(Br)c(C(F)(F)F)n2)CC1 ZINC000672225076 565800039 /nfs/dbraw/zinc/80/00/39/565800039.db2.gz LZFPEDDLQGGNRC-JTQLQIEISA-N 1 0 382.224 2.756 20 0 GFADRO C[C@@H](NC(=O)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1)c1cccc(Cl)c1Cl ZINC000672311104 565802121 /nfs/dbraw/zinc/80/21/21/565802121.db2.gz VTIFFWBFLCJUKW-YPMHNXCESA-N 1 0 384.307 2.771 20 0 GFADRO CCC1([NH+](C)C)CCN(C(=O)c2cc(I)c[nH]2)CC1 ZINC000601790805 565804174 /nfs/dbraw/zinc/80/41/74/565804174.db2.gz CCSLYOGXXJPEFD-UHFFFAOYSA-N 1 0 375.254 2.566 20 0 GFADRO C[N@@H+]1CCCC[C@H](CNC(=O)c2cc(=O)c3cc(Br)ccc3[nH]2)C1 ZINC000628749508 565806066 /nfs/dbraw/zinc/80/60/66/565806066.db2.gz JASOFJBXQILEPV-GFCCVEGCSA-N 1 0 392.297 2.752 20 0 GFADRO CC[C@@H](C[NH+]1CCCC1)NS(=O)(=O)Cc1ccccc1Br ZINC000672389515 565806628 /nfs/dbraw/zinc/80/66/28/565806628.db2.gz VFTHRDZDHFBRAC-AWEZNQCLSA-N 1 0 375.332 2.743 20 0 GFADRO C[N@@H+]1CCCC[C@H](CNC(=O)c2cc(Br)c3c(c2)OCCO3)C1 ZINC000628754123 565806773 /nfs/dbraw/zinc/80/67/73/565806773.db2.gz GJPDTUFEYVENOE-GFCCVEGCSA-N 1 0 383.286 2.682 20 0 GFADRO C[N@H+](CC(=O)NCc1cc(F)c(Br)cc1F)[C@@H]1CCSC1 ZINC000628892537 565812466 /nfs/dbraw/zinc/81/24/66/565812466.db2.gz AVZWLXPDKFYCQW-SNVBAGLBSA-N 1 0 379.270 2.781 20 0 GFADRO O=S(=O)(c1ccccc1)N1CC[C@H]([NH2+][C@@H]2Cc3ccc(Cl)cc3C2)C1 ZINC000672624004 565814377 /nfs/dbraw/zinc/81/43/77/565814377.db2.gz RZVFFAVVFQXSGH-ZWKOTPCHSA-N 1 0 376.909 2.860 20 0 GFADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2cnc3ncc(Br)cc3c2)C1 ZINC000672806585 565818271 /nfs/dbraw/zinc/81/82/71/565818271.db2.gz GCHJOKNHJXVQHQ-LBPRGKRZSA-N 1 0 377.286 2.806 20 0 GFADRO CC[N@H+](CCNC(=O)N1C[C@@H](C(F)(F)F)OC[C@@H]1C)CCC(F)(F)F ZINC000673042760 565826293 /nfs/dbraw/zinc/82/62/93/565826293.db2.gz RWCLPLKZZBWGJO-QWRGUYRKSA-N 1 0 379.345 2.622 20 0 GFADRO O=C(N[C@H]1C[C@@H]([NH+]2CCCC2)C1)c1c(F)cccc1I ZINC000602165532 565827768 /nfs/dbraw/zinc/82/77/68/565827768.db2.gz CFRLEQBRBFZQEK-PHIMTYICSA-N 1 0 388.224 2.787 20 0 GFADRO CCO[C@@H]1CN(Cc2cccc(Br)c2OC(F)F)C[C@H]1C[NH3+] ZINC000650714648 565832669 /nfs/dbraw/zinc/83/26/69/565832669.db2.gz WLABPGHBPQSNEJ-DGCLKSJQSA-N 1 0 379.245 2.846 20 0 GFADRO CCO[C@@H]1CN(Cc2nc(-c3cccc(Br)c3)c[nH]2)C[C@H]1C[NH3+] ZINC000650714589 565832705 /nfs/dbraw/zinc/83/27/05/565832705.db2.gz QCORFSSTRUKUHJ-CZUORRHYSA-N 1 0 379.302 2.635 20 0 GFADRO Cc1cc(Br)cc2cc(C(=O)N3CC[C@@H]([N@@H+]4CC[C@@H](O)C4)C3)oc21 ZINC000673515583 565838575 /nfs/dbraw/zinc/83/85/75/565838575.db2.gz CVWQQFQPXLYKOZ-HUUCEWRRSA-N 1 0 393.281 2.785 20 0 GFADRO CN(C)S(=O)(=O)N1CCC[C@@H]([NH2+]Cc2cc(Cl)cc(C(F)(F)F)c2)C1 ZINC000673611360 565842855 /nfs/dbraw/zinc/84/28/55/565842855.db2.gz DBTMROUPQLKGEU-CQSZACIVSA-N 1 0 399.866 2.719 20 0 GFADRO CCOC(=O)c1cc(CN(C)[C@H](CO)c2cccc(Br)c2)on1 ZINC000602482631 565850998 /nfs/dbraw/zinc/85/09/98/565850998.db2.gz ORNSCYOLIOHKAU-OAHLLOKOSA-N 1 0 383.242 2.779 20 0 GFADRO COc1ccccc1-c1nc(C(=O)NC[C@@]2([NH+](C)C)CCSC2)cs1 ZINC000673958610 565853444 /nfs/dbraw/zinc/85/34/44/565853444.db2.gz TXYSVLPHXQPTKP-SFHVURJKSA-N 1 0 377.535 2.986 20 0 GFADRO Cc1cc(C(=O)NCC23CC(C2)C[NH2+]3)c(I)cc1Cl ZINC000602536432 565853523 /nfs/dbraw/zinc/85/35/23/565853523.db2.gz UAUYDJPDWAKNRC-UHFFFAOYSA-N 1 0 390.652 2.735 20 0 GFADRO C[S@@](=O)C1(C(=O)Nc2ccc(OC(F)(F)F)cc2Cl)CC[NH2+]CC1 ZINC000602531667 565854073 /nfs/dbraw/zinc/85/40/73/565854073.db2.gz ZMHKUNPBZXZSGV-XMMPIXPASA-N 1 0 384.807 2.678 20 0 GFADRO O=C(NCCC[NH2+]Cc1ccc(I)s1)C1CCC1 ZINC000602573152 565855455 /nfs/dbraw/zinc/85/54/55/565855455.db2.gz PDJDSPOCTUMDSU-UHFFFAOYSA-N 1 0 378.279 2.749 20 0 GFADRO [NH3+][C@H]1CC[C@H](NC(=O)c2cc(F)c(F)cc2I)CC1 ZINC000602604972 565857188 /nfs/dbraw/zinc/85/71/88/565857188.db2.gz SUBLZZDZZBHZFJ-ZKCHVHJHSA-N 1 0 380.176 2.569 20 0 GFADRO C[C@@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH2+]C[C@H]1COCCN1 ZINC000629533308 565857880 /nfs/dbraw/zinc/85/78/80/565857880.db2.gz TYGIDBUVEWONKO-JQWIXIFHSA-N 1 0 379.810 2.654 20 0 GFADRO COc1ncc(Br)cc1C[NH2+]C[C@@H](O)COc1ccc(C)cc1 ZINC000629592752 565861644 /nfs/dbraw/zinc/86/16/44/565861644.db2.gz DOWTXUMNPBKQGU-OAHLLOKOSA-N 1 0 381.270 2.691 20 0 GFADRO CCOC(=O)c1ccc(C[NH2+]CCCS(=O)(=O)c2ccc(Cl)cc2)[nH]1 ZINC000602671043 565862636 /nfs/dbraw/zinc/86/26/36/565862636.db2.gz HRFICTWARVTDKJ-UHFFFAOYSA-N 1 0 384.885 2.798 20 0 GFADRO CCCN1C[C@H](C[NH2+]Cc2ccc(I)s2)CC1=O ZINC000602697355 565863470 /nfs/dbraw/zinc/86/34/70/565863470.db2.gz KKFJYNQBOPQKBR-JTQLQIEISA-N 1 0 378.279 2.701 20 0 GFADRO O=C1[C@@H]([NH2+]Cc2ccc(I)s2)C[C@@H]2CCCCN12 ZINC000602686170 565864273 /nfs/dbraw/zinc/86/42/73/565864273.db2.gz AZTJPBYCLGZDMB-ONGXEEELSA-N 1 0 376.263 2.596 20 0 GFADRO CCOC(=O)[C@]1(C[NH2+]Cc2cn3ccc(Br)cc3n2)CCCOC1 ZINC000602743348 565866548 /nfs/dbraw/zinc/86/65/48/565866548.db2.gz FPRXMSYRTUVCCP-KRWDZBQOSA-N 1 0 396.285 2.546 20 0 GFADRO Cc1cc(Br)sc1S(=O)(=O)NC1CC[NH+](C2CC2)CC1 ZINC000651507862 565866919 /nfs/dbraw/zinc/86/69/19/565866919.db2.gz SPPCDQVIQWZANT-UHFFFAOYSA-N 1 0 379.345 2.724 20 0 GFADRO COC1CC[NH+](CCNC(=O)[C@@H](C)Oc2ccc(C)cc2Br)CC1 ZINC000674310896 565866990 /nfs/dbraw/zinc/86/69/90/565866990.db2.gz PPQIKERRMCHOPW-CQSZACIVSA-N 1 0 399.329 2.752 20 0 GFADRO COc1cc(NC(=O)NCC[NH+]2CCC(OC)CC2)ccc1Br ZINC000674317695 565868785 /nfs/dbraw/zinc/86/87/85/565868785.db2.gz NCOZTHDLDPCGKF-UHFFFAOYSA-N 1 0 386.290 2.690 20 0 GFADRO CC[C@H](C[NH+]1CCCC1)NS(=O)(=O)c1ccc(Br)c(OC)c1 ZINC000674346009 565870516 /nfs/dbraw/zinc/87/05/16/565870516.db2.gz FPLWEOGHJVKHGI-GFCCVEGCSA-N 1 0 391.331 2.610 20 0 GFADRO COC(=O)CC[N@@H+](Cc1cccc(Br)c1)C[C@H]1CCc2ncnn21 ZINC000602829380 565870887 /nfs/dbraw/zinc/87/08/87/565870887.db2.gz QYXLJYUUHFFPTC-OAHLLOKOSA-N 1 0 393.285 2.593 20 0 GFADRO O=C(NCC[N@H+]1CC[C@H](O)C1)[C@@H]1CCCO[C@H]1c1ccc(Cl)cc1Cl ZINC000629915420 565876018 /nfs/dbraw/zinc/87/60/18/565876018.db2.gz IEKNYXIGBHRCIX-LXZKKBNFSA-N 1 0 387.307 2.644 20 0 GFADRO Cc1ccc(C[C@H](CO)CNC(=O)C[N@@H+](C)C2CCC2)cc1Br ZINC000630004947 565879131 /nfs/dbraw/zinc/87/91/31/565879131.db2.gz MZMCEMYSROCATJ-HNNXBMFYSA-N 1 0 383.330 2.509 20 0 GFADRO C[N@H+](CC(=O)NCc1c(Br)cncc1Br)C1CCC1 ZINC000629996024 565879704 /nfs/dbraw/zinc/87/97/04/565879704.db2.gz PENJNXQEXHHKLC-UHFFFAOYSA-N 1 0 391.107 2.707 20 0 GFADRO C[NH2+]C1(CNC(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)CCC1 ZINC000629998570 565879805 /nfs/dbraw/zinc/87/98/05/565879805.db2.gz CNAPASKYEJYJMW-HNNXBMFYSA-N 1 0 384.307 2.856 20 0 GFADRO Cc1c(Br)cccc1C[C@H](CO)CNC(=O)C[N@@H+](C)C1CCC1 ZINC000630004575 565879831 /nfs/dbraw/zinc/87/98/31/565879831.db2.gz FBBHLTPPANXVJI-AWEZNQCLSA-N 1 0 383.330 2.509 20 0 GFADRO O[C@H](C[N@@H+]1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1)CC1(O)CCOCC1 ZINC000630036666 565880779 /nfs/dbraw/zinc/88/07/79/565880779.db2.gz GVVKCEWUWQQSRI-ZFWWWQNUSA-N 1 0 390.307 2.739 20 0 GFADRO COc1nsc(C[NH2+]C[C@@H](C)N2C[C@@H](C)O[C@@H](C)C2)c1Br ZINC000630073670 565881287 /nfs/dbraw/zinc/88/12/87/565881287.db2.gz AELCRBDPYNSFQG-MXWKQRLJSA-N 1 0 378.336 2.502 20 0 GFADRO COc1cc(F)c(S(=O)(=O)N(CC[NH+](C)C)C2CCCCC2)c(F)c1 ZINC000675017321 565889903 /nfs/dbraw/zinc/88/99/03/565889903.db2.gz VQVOYMRIVUMCGO-UHFFFAOYSA-N 1 0 376.469 2.858 20 0 GFADRO [NH3+]CCSCc1cn([C@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)nn1 ZINC000603239795 565891619 /nfs/dbraw/zinc/89/16/19/565891619.db2.gz ZWEZOENXLVIARP-AWEZNQCLSA-N 1 0 386.308 2.755 20 0 GFADRO C[NH2+][C@H](C)c1cn(Cc2ccc(I)cc2Cl)nn1 ZINC000603247087 565892554 /nfs/dbraw/zinc/89/25/54/565892554.db2.gz KEIIFTSBLJAPIB-MRVPVSSYSA-N 1 0 376.629 2.865 20 0 GFADRO CO[C@H]1CN(CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)[C@](C)(C[NH3+])C1 ZINC000630356769 565897234 /nfs/dbraw/zinc/89/72/34/565897234.db2.gz UZBQHXSOPNEDAD-ABAIWWIYSA-N 1 0 379.810 2.735 20 0 GFADRO CCOC(=O)c1nc(N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)ccc1Br ZINC000603317240 565898404 /nfs/dbraw/zinc/89/84/04/565898404.db2.gz GTIQOHAPYAEJMU-JSGCOSHPSA-N 1 0 382.302 2.941 20 0 GFADRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)c1ncc(I)s1 ZINC000603437200 565906903 /nfs/dbraw/zinc/90/69/03/565906903.db2.gz JFMVGYILQQWRSL-JTQLQIEISA-N 1 0 393.294 2.694 20 0 GFADRO O=C(C1=Cc2cc(Br)ccc2OC1)N1CC[NH+](C2CCC2)CC1 ZINC000603476201 565907707 /nfs/dbraw/zinc/90/77/07/565907707.db2.gz DOOHTEAZKJVVLZ-UHFFFAOYSA-N 1 0 377.282 2.922 20 0 GFADRO O[C@@H]1CC[N@@H+](C2CN(Cc3ccc(-c4ccc(Br)cc4)o3)C2)C1 ZINC000651978324 565908350 /nfs/dbraw/zinc/90/83/50/565908350.db2.gz FMOFRQFDTCENMW-MRXNPFEDSA-N 1 0 377.282 2.960 20 0 GFADRO CCSc1ccc(CN2C(=O)NC3(CC[NH2+]CC3)C2=O)c(Br)c1 ZINC000630582455 565910537 /nfs/dbraw/zinc/91/05/37/565910537.db2.gz BTNIDFIRFZBRQX-UHFFFAOYSA-N 1 0 398.326 2.735 20 0 GFADRO COCCC[C@H]([NH2+]C[C@H]1CCS(=O)(=O)C1)c1ccc(Br)cc1 ZINC000675735610 565913717 /nfs/dbraw/zinc/91/37/17/565913717.db2.gz CGVNSYLJVZDLDA-CJNGLKHVSA-N 1 0 390.343 2.941 20 0 GFADRO COCC[N@@H+]1CCC[C@H](NC(=O)Cc2c[nH]c3cc(Br)ccc23)C1 ZINC000675785303 565914734 /nfs/dbraw/zinc/91/47/34/565914734.db2.gz DFWLAXZEMHYWRE-HNNXBMFYSA-N 1 0 394.313 2.700 20 0 GFADRO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCN(C(=O)NCc3ccccc3Br)C2)C1 ZINC000652142617 565916862 /nfs/dbraw/zinc/91/68/62/565916862.db2.gz XEVLKUDOEIVFLL-BFYDXBDKSA-N 1 0 396.329 2.877 20 0 GFADRO O=C(NCc1cccc(Br)c1)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000603818895 565917351 /nfs/dbraw/zinc/91/73/51/565917351.db2.gz PNJPJFYCNXOOSH-IBGZPJMESA-N 1 0 389.293 2.702 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(C(=O)NCc3ccc(Br)cc3)C2)C1 ZINC000652148132 565917573 /nfs/dbraw/zinc/91/75/73/565917573.db2.gz OTEUSRCCJQIZEJ-OIISXLGYSA-N 1 0 396.329 2.877 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc2cncc(Br)c2n1 ZINC000630762956 565919151 /nfs/dbraw/zinc/91/91/51/565919151.db2.gz RBLMAPBMLVPEDC-OLZOCXBDSA-N 1 0 375.270 2.749 20 0 GFADRO O=C(NC1CC[NH+](CC2CC2)CC1)c1cc(Br)c2nccn2c1 ZINC000630778325 565919472 /nfs/dbraw/zinc/91/94/72/565919472.db2.gz FFNCDITWNVTEKI-UHFFFAOYSA-N 1 0 377.286 2.701 20 0 GFADRO Cc1cc(Br)sc1S(=O)(=O)N(C1CC1)C1CC[NH2+]CC1 ZINC000652364635 565924247 /nfs/dbraw/zinc/92/42/47/565924247.db2.gz BRBTXYLFUQSWNS-UHFFFAOYSA-N 1 0 379.345 2.724 20 0 GFADRO Cc1cc(Br)sc1S(=O)(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000652369016 565924767 /nfs/dbraw/zinc/92/47/67/565924767.db2.gz CJWFZIDTPXMTGG-LBPRGKRZSA-N 1 0 393.372 2.972 20 0 GFADRO C[C@H]1C[C@H]([NH2+]C[C@@H]2CCCCN2S(=O)(=O)N(C)C)c2ccsc2S1 ZINC000676075686 565925808 /nfs/dbraw/zinc/92/58/08/565925808.db2.gz HQVBJQHTYSLPGS-YDHLFZDLSA-N 1 0 389.612 2.924 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(S(=O)(=O)c3cc(Cl)sc3Cl)C2)C1 ZINC000652375217 565925913 /nfs/dbraw/zinc/92/59/13/565925913.db2.gz LJCGJEVQVFHIOY-MXWKQRLJSA-N 1 0 399.365 2.962 20 0 GFADRO C[NH+](C)CCn1cc(C(=O)N[C@H]2CCc3c2cccc3Br)cn1 ZINC000630910721 565927494 /nfs/dbraw/zinc/92/74/94/565927494.db2.gz JORYHQQKCNBVBT-INIZCTEOSA-N 1 0 377.286 2.625 20 0 GFADRO O=S(=O)(NCCC1CC[NH2+]CC1)c1cc(Br)sc1Cl ZINC000652385234 565927687 /nfs/dbraw/zinc/92/76/87/565927687.db2.gz QNIIHIKRUGGXCN-UHFFFAOYSA-N 1 0 387.752 2.832 20 0 GFADRO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCCN2S(=O)(=O)c2cc(Cl)ccc2F)C1 ZINC000652383416 565927707 /nfs/dbraw/zinc/92/77/07/565927707.db2.gz QRWKRFOKKIISFK-VHDGCEQUSA-N 1 0 376.881 2.529 20 0 GFADRO C[N@H+](CCCO)C1CCN(C[C@@H](O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000604608166 565933827 /nfs/dbraw/zinc/93/38/27/565933827.db2.gz VEPXNXFDEDYLJE-OAHLLOKOSA-N 1 0 391.339 2.512 20 0 GFADRO Brc1cnccc1C[NH2+]C[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000631035895 565935080 /nfs/dbraw/zinc/93/50/80/565935080.db2.gz YIVWFWDKPBHVJW-QGZVFWFLSA-N 1 0 376.298 2.835 20 0 GFADRO NS(=O)(=O)c1cc(C[NH2+][C@H](c2ccccc2)[C@@H]2CCCO2)ccc1Cl ZINC000631055301 565936547 /nfs/dbraw/zinc/93/65/47/565936547.db2.gz OFNSDWQOJDMRDB-FUHWJXTLSA-N 1 0 380.897 2.997 20 0 GFADRO C[NH+]1CCN(C[C@@H](NCc2ccncc2Br)c2ccccc2)CC1 ZINC000631062626 565937235 /nfs/dbraw/zinc/93/72/35/565937235.db2.gz XYDHYSXSCTXCFF-LJQANCHMSA-N 1 0 389.341 2.922 20 0 GFADRO COCCOC1CC[NH+](C[C@H](O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000604903178 565939470 /nfs/dbraw/zinc/93/94/70/565939470.db2.gz TXEQOGQNLDDBQE-ZDUSSCGKSA-N 1 0 378.296 2.861 20 0 GFADRO C[C@@H](Cc1ccccc1Br)[NH2+]Cc1cn(C[C@H]2CCOC2)nn1 ZINC000631088857 565939513 /nfs/dbraw/zinc/93/95/13/565939513.db2.gz CBTUTXFKQFXRLA-UONOGXRCSA-N 1 0 379.302 2.798 20 0 GFADRO COc1cc(C[NH2+]C(C)(C)CCS(C)(=O)=O)c(F)cc1Br ZINC000631085319 565940181 /nfs/dbraw/zinc/94/01/81/565940181.db2.gz SHIHIOWACRLVLJ-UHFFFAOYSA-N 1 0 382.295 2.900 20 0 GFADRO COCCC(=O)N1CCC([NH2+]Cc2ncc(Br)cc2Cl)CC1 ZINC000631090430 565940204 /nfs/dbraw/zinc/94/02/04/565940204.db2.gz GETOTVSBPXYRGS-UHFFFAOYSA-N 1 0 390.709 2.615 20 0 GFADRO COc1cc(C[NH2+][C@@H](CO)C[C@H](O)C(C)(C)C)c(F)cc1Br ZINC000631131185 565942301 /nfs/dbraw/zinc/94/23/01/565942301.db2.gz KPYKOQMSQLRCDD-ABAIWWIYSA-N 1 0 378.282 2.844 20 0 GFADRO NS(=O)(=O)c1cc(C[NH2+]C[C@H]2CC[C@H](c3ccccc3)O2)ccc1Cl ZINC000631143310 565943957 /nfs/dbraw/zinc/94/39/57/565943957.db2.gz RCWPCMKNYWGALX-NVXWUHKLSA-N 1 0 380.897 2.997 20 0 GFADRO FC(F)(F)[C@H](C[NH2+]Cc1cnc2ccc(Br)cn12)n1cncn1 ZINC000631212441 565948723 /nfs/dbraw/zinc/94/87/23/565948723.db2.gz XHTJFPMSJKRSOF-NSHDSACASA-N 1 0 389.179 2.582 20 0 GFADRO Cc1cc(Cl)c(C)c(S(=O)(=O)NCCC[NH+]2CCC(O)CC2)c1Cl ZINC000676845863 565949162 /nfs/dbraw/zinc/94/91/62/565949162.db2.gz FNLLBFAINDFZDM-UHFFFAOYSA-N 1 0 395.352 2.735 20 0 GFADRO Cn1ncc(Br)c1C[NH2+]CCC1(O)CCN(c2ccccc2)CC1 ZINC000631218847 565949374 /nfs/dbraw/zinc/94/93/74/565949374.db2.gz QVDVNJNQTMAKEJ-UHFFFAOYSA-N 1 0 393.329 2.694 20 0 GFADRO C[N@H+](CCCNS(=O)(=O)c1ccc(Br)cn1)Cc1ccccc1 ZINC000605438241 565951447 /nfs/dbraw/zinc/95/14/47/565951447.db2.gz REQNJHXEDFQAFI-UHFFFAOYSA-N 1 0 398.326 2.645 20 0 GFADRO Cc1nc(-c2ccc(C(=O)NCCCN3CCC[N@@H+](C)CC3)s2)cs1 ZINC000631278520 565951724 /nfs/dbraw/zinc/95/17/24/565951724.db2.gz YKMWWJDNVDEMLO-UHFFFAOYSA-N 1 0 378.567 2.937 20 0 GFADRO CCN=c1[nH]cc(C(=O)N(C)C[C@H]2CC[N@H+](Cc3ccc(C)s3)C2)s1 ZINC000653031163 565951969 /nfs/dbraw/zinc/95/19/69/565951969.db2.gz FFDNTWOWMMZNAC-CQSZACIVSA-N 1 0 378.567 2.961 20 0 GFADRO NC(=O)C[C@H]1CC[N@H+](CC(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000676881121 565952119 /nfs/dbraw/zinc/95/21/19/565952119.db2.gz OXCCCCHKEVNONT-WBMJQRKESA-N 1 0 384.307 2.854 20 0 GFADRO CC[NH+]1CCN([C@H](C)CNC(=O)c2oc3ccccc3c2Br)CC1 ZINC000631280714 565952411 /nfs/dbraw/zinc/95/24/11/565952411.db2.gz MBEWLSLNOYCSTQ-CYBMUJFWSA-N 1 0 394.313 2.951 20 0 GFADRO Cc1nc(-c2ccc(C(=O)NC[C@@H](C)C[NH+]3CCN(C)CC3)s2)cs1 ZINC000631275777 565952655 /nfs/dbraw/zinc/95/26/55/565952655.db2.gz JESGGRQNSFIOFF-CYBMUJFWSA-N 1 0 378.567 2.793 20 0 GFADRO CC[NH+]1CCN([C@@H](C)CNC(=O)c2ccc(-c3csc(C)n3)s2)CC1 ZINC000631279270 565952679 /nfs/dbraw/zinc/95/26/79/565952679.db2.gz CBVVLWPFXWGJGR-ZDUSSCGKSA-N 1 0 378.567 2.936 20 0 GFADRO CN(C1CC1)S(=O)(=O)NC[C@@H](c1c(F)cccc1Cl)N1CCCC1 ZINC000605579351 565953321 /nfs/dbraw/zinc/95/33/21/565953321.db2.gz RLWBHRAKSANWNK-HNNXBMFYSA-N 1 0 375.897 2.545 20 0 GFADRO CN1CC[C@@H]([NH+]2CCC(Nc3ncc(C(F)(F)F)cc3Cl)CC2)C1=O ZINC000631308144 565953699 /nfs/dbraw/zinc/95/36/99/565953699.db2.gz ZKINXZHZFYXFKQ-CYBMUJFWSA-N 1 0 376.810 2.861 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653083378 565953978 /nfs/dbraw/zinc/95/39/78/565953978.db2.gz XRUMOJBMDFVXFC-CABCVRRESA-N 1 0 394.313 2.733 20 0 GFADRO O=C([C@H]1CC[C@H](C2CC2)[NH2+]1)N1CCN(Cc2ccc(Br)s2)CC1 ZINC000653105843 565955032 /nfs/dbraw/zinc/95/50/32/565955032.db2.gz LUYYBTWDDGHFRM-HUUCEWRRSA-N 1 0 398.370 2.685 20 0 GFADRO O=C(N[C@@H]1CCN(c2ccc(Br)cc2)C1)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653116826 565955567 /nfs/dbraw/zinc/95/55/67/565955567.db2.gz VFBVUWQKQKRBGL-HYVNUMGLSA-N 1 0 378.314 2.675 20 0 GFADRO O=C([C@@H]1CCOc2ccc(Br)cc21)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000653143845 565956133 /nfs/dbraw/zinc/95/61/33/565956133.db2.gz FJTGTCAPIKIFOW-VNHYZAJKSA-N 1 0 379.298 2.773 20 0 GFADRO COCC[N@@H+]1CC[C@@H](NC(=O)NCc2ccc(Br)cc2Cl)C1 ZINC000605877429 565958314 /nfs/dbraw/zinc/95/83/14/565958314.db2.gz FURZQCAPMDKBPC-CYBMUJFWSA-N 1 0 390.709 2.622 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(C(=O)Cc3ccccc3Br)C2)C1 ZINC000653188593 565958455 /nfs/dbraw/zinc/95/84/55/565958455.db2.gz MLUAVWYBHPASFK-UXLLHSPISA-N 1 0 381.314 2.737 20 0 GFADRO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCN(C(=O)Cc3ccc(F)c(Br)c3)C2)C1 ZINC000653187827 565958513 /nfs/dbraw/zinc/95/85/13/565958513.db2.gz BXDSVHLTZKDARN-CKEIUWERSA-N 1 0 399.304 2.876 20 0 GFADRO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCN(C(=O)c3ccc(Br)c(F)c3)C2)C1 ZINC000653188681 565958617 /nfs/dbraw/zinc/95/86/17/565958617.db2.gz NLPDFTNLBRGGNS-XJKCOSOUSA-N 1 0 385.277 2.947 20 0 GFADRO CCO[C@@H]1CN(C(=O)c2oc3ccc(Br)cc3c2C)C[C@H]1C[NH3+] ZINC000653244539 565960379 /nfs/dbraw/zinc/96/03/79/565960379.db2.gz NVCNDIQQKSNDAV-IAQYHMDHSA-N 1 0 381.270 2.940 20 0 GFADRO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCCN2C(=O)Cc2ccccc2Br)C1 ZINC000653265439 565960697 /nfs/dbraw/zinc/96/06/97/565960697.db2.gz PGXHFSGDSQSDJL-DJIMGWMZSA-N 1 0 381.314 2.879 20 0 GFADRO O=C(NCCC1CC[NH2+]CC1)[C@@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1 ZINC000653270090 565961122 /nfs/dbraw/zinc/96/11/22/565961122.db2.gz DFCHHLNETFAAFN-CYBMUJFWSA-N 1 0 384.307 2.852 20 0 GFADRO C[C@@H]1C[C@H]([NH2+][C@@H]2CCc3c2cccc3Br)C(=O)N1c1cnn(C)c1 ZINC000677139170 565961029 /nfs/dbraw/zinc/96/10/29/565961029.db2.gz ROARBNSRKMCTFL-LQAWEQHXSA-N 1 0 389.297 2.954 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2C(=O)Cc2ccc(Br)cc2)C1 ZINC000653267950 565961203 /nfs/dbraw/zinc/96/12/03/565961203.db2.gz YQXAGISUFHWBIZ-IKGGRYGDSA-N 1 0 381.314 2.879 20 0 GFADRO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCCN2C(=O)Cc2ccc(Br)cc2)C1 ZINC000653267951 565961308 /nfs/dbraw/zinc/96/13/08/565961308.db2.gz YQXAGISUFHWBIZ-IXDOHACOSA-N 1 0 381.314 2.879 20 0 GFADRO CC[N@@H+]1CCN(C(=O)CNC(=O)c2sc3ccccc3c2Cl)C[C@H]1C ZINC000677216151 565964413 /nfs/dbraw/zinc/96/44/13/565964413.db2.gz BPDVVJBOITWWDH-GFCCVEGCSA-N 1 0 379.913 2.837 20 0 GFADRO C[C@@H]1C[NH+](CCCCNC(=O)c2c(F)cncc2Br)C[C@@H](C)O1 ZINC000631675799 565965765 /nfs/dbraw/zinc/96/57/65/565965765.db2.gz PEEWEKOYLSCVBS-VXGBXAGGSA-N 1 0 388.281 2.602 20 0 GFADRO O=C(Nc1nc(CC(F)(F)F)cs1)N1CCN(C[C@@H]2CCCO2)CC1 ZINC000653459886 565967282 /nfs/dbraw/zinc/96/72/82/565967282.db2.gz CWORQJMESZHHLB-LBPRGKRZSA-N 1 0 378.420 2.576 20 0 GFADRO Cc1n[nH]c(C)c1S(=O)(=O)N1CCC([NH2+]Cc2csc(C)c2C)CC1 ZINC000631683596 565967518 /nfs/dbraw/zinc/96/75/18/565967518.db2.gz SJDAYBAPYIQLAJ-UHFFFAOYSA-N 1 0 382.555 2.648 20 0 GFADRO COc1ccc(Br)c(CNC(=O)N2CC[N@H+](C)C[C@@H]2C(C)C)c1 ZINC000606647291 565968731 /nfs/dbraw/zinc/96/87/31/565968731.db2.gz RYJGFRIWCVDCRF-MRXNPFEDSA-N 1 0 384.318 2.939 20 0 GFADRO C[C@@H](NC(=O)NCC(=O)Nc1cc(Cl)ccc1Cl)C1CC[NH+](C)CC1 ZINC000606620315 565968801 /nfs/dbraw/zinc/96/88/01/565968801.db2.gz SAPQGUVLDNYNBG-LLVKDONJSA-N 1 0 387.311 2.961 20 0 GFADRO C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)NCc1n[nH]cc1Br ZINC000606694635 565969988 /nfs/dbraw/zinc/96/99/88/565969988.db2.gz DDPZIGMDMJIMIG-UHFFFAOYSA-N 1 0 398.280 2.585 20 0 GFADRO CC[C@H](CO)[NH+]1CCN(C(=O)CCCc2cccc(Br)c2)CC1 ZINC000677581910 565978332 /nfs/dbraw/zinc/97/83/32/565978332.db2.gz MYQIDVJYFIJQDC-QGZVFWFLSA-N 1 0 383.330 2.687 20 0 GFADRO OCCC[N@H+](C[C@H](O)COc1ccc(Cl)cc1Br)C1CC1 ZINC000607152935 565979245 /nfs/dbraw/zinc/97/92/45/565979245.db2.gz FPBVOPZCJGGDED-ZDUSSCGKSA-N 1 0 378.694 2.689 20 0 GFADRO NC(=O)[C@H](c1ccc(Br)cc1F)N1C[C@H](C[NH3+])Cc2ccccc21 ZINC000631893508 565981072 /nfs/dbraw/zinc/98/10/72/565981072.db2.gz SSGWDVYRFAUQMM-GTNSWQLSSA-N 1 0 392.272 2.752 20 0 GFADRO [NH3+]C[C@@H]1Cc2ccccc2N(Cc2nnnn2-c2ccccc2Br)C1 ZINC000631892935 565981271 /nfs/dbraw/zinc/98/12/71/565981271.db2.gz BBFOVVYXPLDHQO-ZDUSSCGKSA-N 1 0 399.296 2.562 20 0 GFADRO C[NH2+]C[C@@H]1CCCN(S(=O)(=O)c2ccc(C(F)(F)C(F)(F)F)cc2)C1 ZINC000631900938 565982595 /nfs/dbraw/zinc/98/25/95/565982595.db2.gz MHCCEZSQFONTHY-NSHDSACASA-N 1 0 386.386 2.961 20 0 GFADRO CCCN(Cc1c(F)cccc1Cl)S(=O)(=O)N(C)C1CC[NH2+]CC1 ZINC000631915235 565983450 /nfs/dbraw/zinc/98/34/50/565983450.db2.gz GWFQBAPXBNJHHR-UHFFFAOYSA-N 1 0 377.913 2.620 20 0 GFADRO CN(C1CC[NH2+]CC1)S(=O)(=O)N[C@@H](Cc1ccccc1)c1cccs1 ZINC000631921757 565983580 /nfs/dbraw/zinc/98/35/80/565983580.db2.gz VHHVWPFELBMIRJ-KRWDZBQOSA-N 1 0 379.551 2.550 20 0 GFADRO Cc1cc(Cl)c(Br)cc1S(=O)(=O)N1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000631931206 565984306 /nfs/dbraw/zinc/98/43/06/565984306.db2.gz IARCTHLEWDEVSV-ZJUUUORDSA-N 1 0 381.723 2.769 20 0 GFADRO C[C@H]1C[C@@H]([NH3+])CN1S(=O)(=O)c1ccc(Br)cc1C(F)(F)F ZINC000631973920 565987903 /nfs/dbraw/zinc/98/79/03/565987903.db2.gz NKLBQEMANNXRFT-IONNQARKSA-N 1 0 387.221 2.578 20 0 GFADRO C[C@@H]1C[C@@H](N(C)C(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CC2)CC[N@@H+]1C ZINC000607665224 565988118 /nfs/dbraw/zinc/98/81/18/565988118.db2.gz STEGRBNUUPLVOM-HIFRSBDPSA-N 1 0 384.929 2.587 20 0 GFADRO Cc1nc(C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)nn1-c1c(Cl)cccc1Cl ZINC000654066548 565994724 /nfs/dbraw/zinc/99/47/24/565994724.db2.gz BAGDIOUUMGZUBG-TXEJJXNPSA-N 1 0 382.295 2.953 20 0 GFADRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)c2cn(-c3ccc(Br)cc3)cn2)C1 ZINC000654064570 565994996 /nfs/dbraw/zinc/99/49/96/565994996.db2.gz BRYUZCSRSXPQGQ-JNSHFYNHSA-N 1 0 377.286 2.705 20 0 GFADRO C[C@H](C[NH2+]CCCN1CCCS1(=O)=O)c1cccc(Br)c1 ZINC000678074829 565997540 /nfs/dbraw/zinc/99/75/40/565997540.db2.gz SMBJSJLHRURMFT-CYBMUJFWSA-N 1 0 375.332 2.568 20 0 GFADRO C[C@H]1C[C@H]([NH2+]Cc2ccc(F)c(Br)c2)C(=O)N1c1cnn(C)c1 ZINC000608077116 566003888 /nfs/dbraw/zinc/00/38/88/566003888.db2.gz VAQDQRUJEWYHMH-BONVTDFDSA-N 1 0 381.249 2.605 20 0 GFADRO CN(C)c1ncc(Br)cc1C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000654311067 566004776 /nfs/dbraw/zinc/00/47/76/566004776.db2.gz NAPLVEJENURYKW-LSDHHAIUSA-N 1 0 381.318 2.657 20 0 GFADRO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)N1CCOc2cccc(Br)c2C1 ZINC000654381365 566007426 /nfs/dbraw/zinc/00/74/26/566007426.db2.gz KIAAWOJLRJVTKM-CYBMUJFWSA-N 1 0 394.313 2.837 20 0 GFADRO Cc1cc(Br)cn2cc(CNC(=O)NC[C@H]3C[C@@H]([NH+](C)C)C3)nc12 ZINC000654529407 566012760 /nfs/dbraw/zinc/01/27/60/566012760.db2.gz IQMKHAVKLPNGQV-JNSHFYNHSA-N 1 0 394.317 2.545 20 0 GFADRO C[N@H+](CC(=O)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1)C1CCC1 ZINC000608500763 566015802 /nfs/dbraw/zinc/01/58/02/566015802.db2.gz CPDRCWYKWNRCOQ-UHFFFAOYSA-N 1 0 384.307 2.762 20 0 GFADRO C[C@@H]1CSc2ccc(Br)cc2[C@@H]1[NH2+]CC(=O)N1CCN(C)CC1 ZINC000678767751 566019202 /nfs/dbraw/zinc/01/92/02/566019202.db2.gz QMYMKVIEHKHQBH-SJKOYZFVSA-N 1 0 398.370 2.596 20 0 GFADRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)NCc2n[nH]cc2Br)C1 ZINC000608691673 566021293 /nfs/dbraw/zinc/02/12/93/566021293.db2.gz ZLXJDWPTVWULSA-CQSZACIVSA-N 1 0 392.301 2.588 20 0 GFADRO C[NH+]1CCC(C)(CNC(=O)c2ccc3cncc(Br)c3n2)CC1 ZINC000632350909 566024034 /nfs/dbraw/zinc/02/40/34/566024034.db2.gz GKXHHMKTJUCFQC-UHFFFAOYSA-N 1 0 377.286 2.854 20 0 GFADRO CCC[N@@H+]1CCC[C@@H]1C(=O)NCCc1ccc(I)s1 ZINC000608881521 566025904 /nfs/dbraw/zinc/02/59/04/566025904.db2.gz XWNVONPSJKPWJP-GFCCVEGCSA-N 1 0 392.306 2.886 20 0 GFADRO O=C(Nc1cc(F)ccc1Br)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000654947702 566031882 /nfs/dbraw/zinc/03/18/82/566031882.db2.gz UMZJUZZNKINISX-UKRRQHHQSA-N 1 0 398.276 2.660 20 0 GFADRO O=S(=O)(c1ccc(Cl)cc1Cl)N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000632451739 566033056 /nfs/dbraw/zinc/03/30/56/566033056.db2.gz ZTNDVQVMCACSNO-UHFFFAOYSA-N 1 0 393.336 2.869 20 0 GFADRO COc1cc(Br)c(CN2CCC[N@H+](C[C@@H]3CCCO3)CC2)cc1O ZINC000679328268 566038089 /nfs/dbraw/zinc/03/80/89/566038089.db2.gz APSMOMKKENUBKA-HNNXBMFYSA-N 1 0 399.329 2.850 20 0 GFADRO O=S1(=O)CC[C@H](C[NH2+][C@H](c2ccc(Br)cc2)[C@@H]2CCCO2)C1 ZINC000679330747 566038177 /nfs/dbraw/zinc/03/81/77/566038177.db2.gz QSIZKQSFTBJDBZ-UHOFOFEASA-N 1 0 388.327 2.694 20 0 GFADRO Cc1nc(CS(=O)(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)cs1 ZINC000632616671 566051002 /nfs/dbraw/zinc/05/10/02/566051002.db2.gz HIBQBTGDTQPENH-PBHICJAKSA-N 1 0 379.551 2.639 20 0 GFADRO C[C@H](NC(=O)[C@@H]1C[C@@]12CCC[NH2+]C2)c1cc2c(cc1Br)OCCO2 ZINC000655429162 566056437 /nfs/dbraw/zinc/05/64/37/566056437.db2.gz SFABBLXMDZZPQP-RRUGBERISA-N 1 0 395.297 2.787 20 0 GFADRO O=C([C@@H]1C[C@]12CCC[NH2+]C2)N1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000655429605 566056659 /nfs/dbraw/zinc/05/66/59/566056659.db2.gz DZIBHYUDCQYRCN-BQFCYCMXSA-N 1 0 379.298 2.739 20 0 GFADRO O=S1(=O)CCCN1CCC[NH2+][C@@H]1CCCc2c(Br)cccc21 ZINC000679992211 566058308 /nfs/dbraw/zinc/05/83/08/566058308.db2.gz ZOAYDCUMLXGGPZ-MRXNPFEDSA-N 1 0 387.343 2.842 20 0 GFADRO COc1cc(Br)ccc1[C@H](C)NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC000632717040 566061654 /nfs/dbraw/zinc/06/16/54/566061654.db2.gz FGMKTPDWCCIONY-LBPRGKRZSA-N 1 0 395.301 2.707 20 0 GFADRO C[NH+](C)C[C@]1(O)CCCN(C(=O)[C@@H]2C[C@]2(C)c2cccc(Br)c2)C1 ZINC000632773452 566067178 /nfs/dbraw/zinc/06/71/78/566067178.db2.gz OZPPJEAQSMOAOZ-QXAKKESOSA-N 1 0 395.341 2.642 20 0 GFADRO C[NH+](C)C[C@]1(O)CCCN(C(=O)c2oc3ccccc3c2Br)C1 ZINC000632773818 566067198 /nfs/dbraw/zinc/06/71/98/566067198.db2.gz VIOHWDCHJVYINA-QGZVFWFLSA-N 1 0 381.270 2.724 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc(I)c[nH]2)C[C@H]1C ZINC000610125542 566067375 /nfs/dbraw/zinc/06/73/75/566067375.db2.gz BQZLGCBXKNXUSO-PWSUYJOCSA-N 1 0 375.254 2.564 20 0 GFADRO C[C@H](Oc1ccc(F)cc1Br)C(=O)N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000632860379 566071277 /nfs/dbraw/zinc/07/12/77/566071277.db2.gz GHDCFTWMPJFREX-YWPYICTPSA-N 1 0 385.277 2.956 20 0 GFADRO COc1c(Cl)cc(NC(=O)C(=O)N[C@H]2CC[NH2+]CC(C)(C)C2)cc1Cl ZINC000633045573 566080275 /nfs/dbraw/zinc/08/02/75/566080275.db2.gz NHCIUYSOJOTHLW-JTQLQIEISA-N 1 0 388.295 2.835 20 0 GFADRO O=S(=O)(Cc1cccc(Br)c1)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000655669102 566081797 /nfs/dbraw/zinc/08/17/97/566081797.db2.gz XCGNFTQRNWHOSW-JKSUJKDBSA-N 1 0 387.343 2.885 20 0 GFADRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1cc(Br)c2nccn2c1 ZINC000633065772 566082589 /nfs/dbraw/zinc/08/25/89/566082589.db2.gz RDJDHHWQRLVICJ-DOMZBBRYSA-N 1 0 377.286 2.796 20 0 GFADRO O=C(c1cccc2c(Br)cccc12)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000633069036 566082832 /nfs/dbraw/zinc/08/28/32/566082832.db2.gz FECXXKOZSSMWHX-KGLIPLIRSA-N 1 0 389.293 2.883 20 0 GFADRO Cc1ccc(-c2ncc(C[NH2+][C@@H]3CCCN(S(C)(=O)=O)C3)s2)cc1C ZINC000655720735 566083554 /nfs/dbraw/zinc/08/35/54/566083554.db2.gz FGHFMYDUHLQZOB-MRXNPFEDSA-N 1 0 379.551 2.941 20 0 GFADRO Cc1nn(-c2ccccc2Br)cc1C[NH2+]CCN1CCOC[C@@H]1C ZINC000655731662 566084186 /nfs/dbraw/zinc/08/41/86/566084186.db2.gz ZLRFNECMGBMQTK-AWEZNQCLSA-N 1 0 393.329 2.754 20 0 GFADRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+]Cc1cn(-c2cccc(Br)c2)nc1C ZINC000655754993 566087300 /nfs/dbraw/zinc/08/73/00/566087300.db2.gz ZWQIPTPCFIEPLR-IAGOWNOFSA-N 1 0 391.313 2.948 20 0 GFADRO Cc1nn(-c2ccccc2Br)cc1C[NH2+]CC1(CC(N)=O)CC1 ZINC000655783325 566089741 /nfs/dbraw/zinc/08/97/41/566089741.db2.gz BXHQWJWKMXWZCD-UHFFFAOYSA-N 1 0 377.286 2.688 20 0 GFADRO Cc1cccc(NC(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c1Br ZINC000681100475 566093747 /nfs/dbraw/zinc/09/37/47/566093747.db2.gz JZPUUWAKFWNLDZ-HUUCEWRRSA-N 1 0 382.302 2.820 20 0 GFADRO CC1CC[NH+](C[C@H]2CCCN(c3cc(Br)cnc3C(N)=O)C2)CC1 ZINC000681146746 566095050 /nfs/dbraw/zinc/09/50/50/566095050.db2.gz FVYIVWYXXKSRBD-CQSZACIVSA-N 1 0 395.345 2.891 20 0 GFADRO [NH3+]C[C@H](NC(=O)N1CCC(C(=O)c2ccc(Cl)cc2)CC1)C(F)(F)F ZINC000655911027 566095319 /nfs/dbraw/zinc/09/53/19/566095319.db2.gz GQBIDMXVQRQFNC-ZDUSSCGKSA-N 1 0 377.794 2.834 20 0 GFADRO C[C@@H](CCc1ccc(Br)cc1)NC(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000655912613 566095654 /nfs/dbraw/zinc/09/56/54/566095654.db2.gz AOFIUCBTQPONEP-JOYOIKCWSA-N 1 0 382.224 2.959 20 0 GFADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)CCCc1cccc(Br)c1 ZINC000681152239 566095751 /nfs/dbraw/zinc/09/57/51/566095751.db2.gz PRRXOCWIIBBBLC-MRXNPFEDSA-N 1 0 396.373 2.914 20 0 GFADRO [NH3+]C[C@@H](NC(=O)N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1)C(F)(F)F ZINC000655923038 566097027 /nfs/dbraw/zinc/09/70/27/566097027.db2.gz ZFYVWKHCVZBUDJ-HTQZYQBOSA-N 1 0 390.353 2.941 20 0 GFADRO Cc1cc(Br)c2c(c1)CN(C(=O)N[C@H](C[NH3+])C(F)(F)F)CC2 ZINC000655924600 566097055 /nfs/dbraw/zinc/09/70/55/566097055.db2.gz MOYKEEXKUPHFPQ-GFCCVEGCSA-N 1 0 380.208 2.715 20 0 GFADRO [NH3+]C[C@@H](NC(=O)NC1(Cc2ccccc2Br)CC1)C(F)(F)F ZINC000655926483 566097181 /nfs/dbraw/zinc/09/71/81/566097181.db2.gz LDCAASNTPWBTQK-LLVKDONJSA-N 1 0 380.208 2.713 20 0 GFADRO C[NH2+]C[C@@H]1CCCN(S(=O)(=O)Cc2cccc(Br)c2C)C1 ZINC000655949229 566098060 /nfs/dbraw/zinc/09/80/60/566098060.db2.gz QEEGQWWVOIGKPH-ZDUSSCGKSA-N 1 0 375.332 2.519 20 0 GFADRO COC(=O)C[C@@H]1CSCC[N@@H+]1C[C@@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000610781372 566098308 /nfs/dbraw/zinc/09/83/08/566098308.db2.gz IKINKPBWVNYOEZ-VXGBXAGGSA-N 1 0 394.320 2.714 20 0 GFADRO O=C(NCC1C[NH2+]C1)N1CCN(c2cc(Cl)c(Cl)c(Cl)c2)CC1 ZINC000655965416 566100281 /nfs/dbraw/zinc/10/02/81/566100281.db2.gz SKKGLJOOZKRLFN-UHFFFAOYSA-N 1 0 377.703 2.698 20 0 GFADRO [NH3+]C/C=C/CNC(=O)N1CCN(c2cc(Cl)c(Cl)c(Cl)c2)CC1 ZINC000655967808 566100399 /nfs/dbraw/zinc/10/03/99/566100399.db2.gz DZHLKFISZXAWRD-OWOJBTEDSA-N 1 0 377.703 2.993 20 0 GFADRO Cc1c(Br)cccc1CNC(=O)N1CCC(OCCC[NH3+])CC1 ZINC000655969439 566100462 /nfs/dbraw/zinc/10/04/62/566100462.db2.gz TXVVVSZNXPXVQZ-UHFFFAOYSA-N 1 0 384.318 2.797 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)NCCCc1c(Cl)cccc1Cl ZINC000656029654 566101253 /nfs/dbraw/zinc/10/12/53/566101253.db2.gz CUEQJIDRIFTCHM-MLGOLLRUSA-N 1 0 386.323 2.771 20 0 GFADRO C[C@@H](C[NH2+]C[C@@H](O)COc1c(Cl)cccc1Cl)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656153389 566107024 /nfs/dbraw/zinc/10/70/24/566107024.db2.gz QMSFIPFESDIFNN-BYNSBNAKSA-N 1 0 391.339 2.820 20 0 GFADRO C[C@H](NC(=O)c1cccc(F)c1I)C1CC[NH+](C)CC1 ZINC000611002544 566110173 /nfs/dbraw/zinc/11/01/73/566110173.db2.gz LVEYEPJHPBBMEK-JTQLQIEISA-N 1 0 390.240 2.890 20 0 GFADRO COc1cc2[nH+]ccc(NCc3nnn(C(C)(C)C)n3)c2cc1Br ZINC000656212723 566114184 /nfs/dbraw/zinc/11/41/84/566114184.db2.gz LKZJNYNNODNAGQ-UHFFFAOYSA-N 1 0 391.273 2.781 20 0 GFADRO Cc1nn(-c2cccc(Br)c2)cc1C[N@@H+](C)CC1(O)CCOCC1 ZINC000656258295 566119521 /nfs/dbraw/zinc/11/95/21/566119521.db2.gz QZJJZKYQIXWINE-UHFFFAOYSA-N 1 0 394.313 2.917 20 0 GFADRO CC[NH+]1CCC(NC(=O)C(=O)NCCCc2c(Cl)cccc2Cl)CC1 ZINC000656287740 566122247 /nfs/dbraw/zinc/12/22/47/566122247.db2.gz ZQLDFWQXZIAXLZ-UHFFFAOYSA-N 1 0 386.323 2.643 20 0 GFADRO COc1ccccc1-c1nc(C(=O)N2C[C@@H]([NH+](C)C)[C@@H](SC)C2)cs1 ZINC000611217611 566122347 /nfs/dbraw/zinc/12/23/47/566122347.db2.gz ZBHBESZMQRKSBZ-ZBFHGGJFSA-N 1 0 377.535 2.936 20 0 GFADRO C[C@@H](CNC(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)c1c(Cl)cccc1Cl ZINC000656310105 566123250 /nfs/dbraw/zinc/12/32/50/566123250.db2.gz ZAQRWXWVDGFHIJ-RWMBFGLXSA-N 1 0 386.323 2.670 20 0 GFADRO O=C(NCc1c(Cl)cccc1Cl)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000656296182 566123539 /nfs/dbraw/zinc/12/35/39/566123539.db2.gz GTXKXKCIHSBUMH-HOTGVXAUSA-N 1 0 384.307 2.743 20 0 GFADRO C[NH+](C)Cc1ccc(C(=O)N[C@@H]2[C@H]3Cc4c(cccc4Br)[C@@H]23)cn1 ZINC000633781862 566124693 /nfs/dbraw/zinc/12/46/93/566124693.db2.gz LQTLOSPQHFRAAL-CGTJXYLNSA-N 1 0 386.293 2.974 20 0 GFADRO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)c1cnc2ncc(Br)cc2c1 ZINC000681967115 566134761 /nfs/dbraw/zinc/13/47/61/566134761.db2.gz XDKMUYDLPQIJCQ-LLVKDONJSA-N 1 0 375.270 2.606 20 0 GFADRO C[C@H]1CCC[N@H+](CCNC(=O)c2cnc3ncc(Br)cc3c2)C1 ZINC000681960240 566135137 /nfs/dbraw/zinc/13/51/37/566135137.db2.gz DBYJJIDWYBTLSE-LBPRGKRZSA-N 1 0 377.286 2.854 20 0 GFADRO CC1CC[NH+](CCNC(=O)c2cnc3ncc(Br)cc3c2)CC1 ZINC000681962734 566135302 /nfs/dbraw/zinc/13/53/02/566135302.db2.gz XTQFIBZIKHGJDW-UHFFFAOYSA-N 1 0 377.286 2.854 20 0 GFADRO CC1(C)CN(C(=O)CCOc2ccc(Cl)cc2Cl)CC[N@@H+]1CCO ZINC000682005622 566139498 /nfs/dbraw/zinc/13/94/98/566139498.db2.gz FDHIFKUVVCKOPH-UHFFFAOYSA-N 1 0 375.296 2.677 20 0 GFADRO CCOC(=O)COc1c(Br)cc(C)cc1C[NH2+]C[C@@H](C)N(C)C ZINC000611622546 566139733 /nfs/dbraw/zinc/13/97/33/566139733.db2.gz YMJZAALRAHILLF-CYBMUJFWSA-N 1 0 387.318 2.739 20 0 GFADRO C[C@@H](NC(=O)CN1CC[N@H+](CCO)C(C)(C)C1)c1ccc(Cl)c(Cl)c1 ZINC000682035226 566141082 /nfs/dbraw/zinc/14/10/82/566141082.db2.gz USKBLHFLULLBMK-CYBMUJFWSA-N 1 0 388.339 2.559 20 0 GFADRO C[C@H](CC(=O)Nc1cnn(C2CC[NH+](C)CC2)c1)n1cc(Br)cn1 ZINC000634097364 566143571 /nfs/dbraw/zinc/14/35/71/566143571.db2.gz ZGQOFJWDLYYIGW-GFCCVEGCSA-N 1 0 395.305 2.699 20 0 GFADRO CCOc1ccc(Br)cc1S(=O)(=O)N(C)C1CC[NH+](C)CC1 ZINC000612031353 566148803 /nfs/dbraw/zinc/14/88/03/566148803.db2.gz PCHNGWWIQRVYSB-UHFFFAOYSA-N 1 0 391.331 2.563 20 0 GFADRO C[NH+]1CCN(c2ccnc(NC(=O)c3cc(F)ccc3Br)c2)CC1 ZINC000634196901 566149407 /nfs/dbraw/zinc/14/94/07/566149407.db2.gz BPECPSSMWTYMQK-UHFFFAOYSA-N 1 0 393.260 2.987 20 0 GFADRO C[C@H](C[S@@](C)=O)[NH2+]Cc1sc(N2CCOCC2)nc1-c1ccccc1 ZINC000612201836 566154470 /nfs/dbraw/zinc/15/44/70/566154470.db2.gz DASBHHNURVPQPR-DLUDVSRJSA-N 1 0 379.551 2.503 20 0 GFADRO Cn1ncc(C2CC2)c1C[NH2+]C[C@H](O)COc1ccc(Br)cc1 ZINC000656711214 566155852 /nfs/dbraw/zinc/15/58/52/566155852.db2.gz RLDMUSFCICRJQD-AWEZNQCLSA-N 1 0 380.286 2.590 20 0 GFADRO COc1cc(NC(=O)CC[NH2+]CCO[C@@H]2CC2(F)F)c(OC)cc1Cl ZINC000656708756 566156177 /nfs/dbraw/zinc/15/61/77/566156177.db2.gz QYFZMUUNQKYJTC-CQSZACIVSA-N 1 0 378.803 2.700 20 0 GFADRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)c2cc(Br)cc3c2OCCO3)C1 ZINC000612282605 566156604 /nfs/dbraw/zinc/15/66/04/566156604.db2.gz MXTVKBCCMIGCQO-CYBMUJFWSA-N 1 0 397.313 2.928 20 0 GFADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)Cc1ccc(Br)c(Cl)c1 ZINC000682492370 566158480 /nfs/dbraw/zinc/15/84/80/566158480.db2.gz FHXLPCKNRHDUJN-CYBMUJFWSA-N 1 0 389.721 2.872 20 0 GFADRO CC[NH+]1CCC(N2NC(=O)[C@@](C)(c3ccc(Cl)c(Cl)c3)CC2=O)CC1 ZINC000634602699 566161155 /nfs/dbraw/zinc/16/11/55/566161155.db2.gz ZUXYTLZMDPUJEL-GOSISDBHSA-N 1 0 384.307 2.999 20 0 GFADRO O=c1c2csc(Cl)c2ncn1C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634649367 566163448 /nfs/dbraw/zinc/16/34/48/566163448.db2.gz LWEBQLDYHOHQPS-SFHVURJKSA-N 1 0 375.881 2.748 20 0 GFADRO C[NH+](C)CCCNS(=O)(=O)c1cc(Cl)c(Cl)cc1Br ZINC000656859466 566169573 /nfs/dbraw/zinc/16/95/73/566169573.db2.gz QNXWHNCSWRISCF-UHFFFAOYSA-N 1 0 390.130 2.986 20 0 GFADRO O[C@H](C[NH2+][C@H]1CCO[C@]2(CCOC2)C1)COc1cc(Cl)cc(Cl)c1 ZINC000634709582 566170611 /nfs/dbraw/zinc/17/06/11/566170611.db2.gz LDWZPDRKHXVGBN-ZMSDIMECSA-N 1 0 376.280 2.661 20 0 GFADRO CC(=O)N1CCC(C[NH2+]C[C@H](O)COc2cc(Cl)cc(Cl)c2)CC1 ZINC000634703207 566170798 /nfs/dbraw/zinc/17/07/98/566170798.db2.gz RNBDHNQQBDMSKA-INIZCTEOSA-N 1 0 375.296 2.581 20 0 GFADRO C[C@@H]([NH2+]C[C@@H](O)CC1(O)CCOCC1)c1ccc(Br)cc1F ZINC000634714237 566172112 /nfs/dbraw/zinc/17/21/12/566172112.db2.gz IGAHWKWUIGVSSG-YPMHNXCESA-N 1 0 376.266 2.531 20 0 GFADRO C[C@](O)(C[C@H](O)C[NH2+]CCC(=O)Nc1cc(Cl)cc(Cl)c1)C1CC1 ZINC000634714740 566172142 /nfs/dbraw/zinc/17/21/42/566172142.db2.gz QFWBBQNBYQQSNT-RDJZCZTQSA-N 1 0 375.296 2.824 20 0 GFADRO C[C@@H](NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ncc(Br)cn1 ZINC000634713812 566172516 /nfs/dbraw/zinc/17/25/16/566172516.db2.gz BFXZNSMITPVNFQ-RDTXWAMCSA-N 1 0 391.313 2.527 20 0 GFADRO C[C@@H](C(=O)Nc1ccccc1Br)N(C)[C@H]1CCCCN(C)C1=O ZINC000634737228 566172800 /nfs/dbraw/zinc/17/28/00/566172800.db2.gz LSURFRBXWQVDIJ-WFASDCNBSA-N 1 0 382.302 2.719 20 0 GFADRO O[C@@H](C[NH2+]Cc1ccnc(N2CCSCC2)c1)Cc1cccc(Cl)c1 ZINC000634728342 566172962 /nfs/dbraw/zinc/17/29/62/566172962.db2.gz XKFFPVCRZCNYHH-GOSISDBHSA-N 1 0 377.941 2.981 20 0 GFADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)S(=O)(=O)c1ccncc1 ZINC000656884204 566174425 /nfs/dbraw/zinc/17/44/25/566174425.db2.gz PVLAIWDQRAHHCR-UHFFFAOYSA-N 1 0 398.326 2.597 20 0 GFADRO C[C@H](Cc1ccc(Br)cc1)[NH2+][C@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O ZINC000682911307 566175257 /nfs/dbraw/zinc/17/52/57/566175257.db2.gz RSDIKVBPOMWJSZ-XNJGSVPQSA-N 1 0 391.313 2.897 20 0 GFADRO Cc1ccc(C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)c(C)c1Br ZINC000682900544 566175591 /nfs/dbraw/zinc/17/55/91/566175591.db2.gz XHFKOEJDEYOKQV-ZDUSSCGKSA-N 1 0 382.346 2.679 20 0 GFADRO Cc1ccc(C(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)c(C)c1Br ZINC000682899375 566175633 /nfs/dbraw/zinc/17/56/33/566175633.db2.gz GTDQFZGNCYVXIU-HNNXBMFYSA-N 1 0 394.357 2.964 20 0 GFADRO C[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2cc(Cl)cc(Br)c2)C1 ZINC000656896781 566177824 /nfs/dbraw/zinc/17/78/24/566177824.db2.gz LZBRLANAAWFYPW-JTQLQIEISA-N 1 0 381.723 2.723 20 0 GFADRO CCOc1ccc(Br)cc1S(=O)(=O)N[C@@H](C)C[NH+](CC)CC ZINC000682933943 566178042 /nfs/dbraw/zinc/17/80/42/566178042.db2.gz YEFATBAQHQNPOG-LBPRGKRZSA-N 1 0 393.347 2.856 20 0 GFADRO O=S1(=O)CCCN1CCC[NH2+]Cc1cc(Br)c(Cl)s1 ZINC000682941173 566179172 /nfs/dbraw/zinc/17/91/72/566179172.db2.gz WQNIXYQLHGRLPD-UHFFFAOYSA-N 1 0 387.752 2.679 20 0 GFADRO CN(C(=O)N[C@@H]1CC12CC[NH2+]CC2)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000612983558 566181305 /nfs/dbraw/zinc/18/13/05/566181305.db2.gz BHXFMJOVVOIQLW-ARFHVFGLSA-N 1 0 384.307 2.735 20 0 GFADRO O=C(N[C@H]1CC12CC[NH2+]CC2)N1CCc2c(F)ccc(Br)c2C1 ZINC000612983148 566181604 /nfs/dbraw/zinc/18/16/04/566181604.db2.gz NCINFDVMMLGIPV-HNNXBMFYSA-N 1 0 382.277 2.798 20 0 GFADRO O=C(N[C@@H]1CC12CC[NH2+]CC2)N1CCc2cc(Br)cc(F)c2C1 ZINC000612980478 566181661 /nfs/dbraw/zinc/18/16/61/566181661.db2.gz RQQKJSHYDBENGS-OAHLLOKOSA-N 1 0 382.277 2.798 20 0 GFADRO CCC[N@H+](CC)CCNS(=O)(=O)c1cc(Br)c(F)cc1OC ZINC000656925095 566184672 /nfs/dbraw/zinc/18/46/72/566184672.db2.gz QGBUETMOWHYZBQ-UHFFFAOYSA-N 1 0 397.310 2.607 20 0 GFADRO COCCN(Cc1cc(Br)cs1)C(=O)NCCC[NH+](C)C ZINC000683157260 566185474 /nfs/dbraw/zinc/18/54/74/566185474.db2.gz QTKHDFSTLZCWCE-UHFFFAOYSA-N 1 0 378.336 2.620 20 0 GFADRO COc1cc(C[NH2+][C@@H]2CCCS(=O)(=O)CC2)ccc1OCC(F)(F)F ZINC000634951621 566185947 /nfs/dbraw/zinc/18/59/47/566185947.db2.gz BIGJFUUASBJOTM-CYBMUJFWSA-N 1 0 381.416 2.693 20 0 GFADRO Cc1ccc(CNC(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)cc1Br ZINC000634967580 566186203 /nfs/dbraw/zinc/18/62/03/566186203.db2.gz RXWFKVRXQXZIQU-INIZCTEOSA-N 1 0 396.329 2.810 20 0 GFADRO CN(C)[C@H](C[NH2+][C@@H]1CCCS(=O)(=O)CC1)c1cccc(C(F)(F)F)c1 ZINC000634975519 566186235 /nfs/dbraw/zinc/18/62/35/566186235.db2.gz AKLNAESZPIZRHY-HZPDHXFCSA-N 1 0 378.460 2.865 20 0 GFADRO Cc1cc(NC(=O)C(=O)N2CCC[C@@H]([NH2+]C(C)C)C2)cc(C)c1Br ZINC000683166434 566186940 /nfs/dbraw/zinc/18/69/40/566186940.db2.gz YYDUJRHYCNCISG-CQSZACIVSA-N 1 0 396.329 2.993 20 0 GFADRO O=S1(=O)CCC[C@H]([NH2+][C@@H](CO)c2ccc(Cl)cc2C(F)(F)F)CC1 ZINC000634980094 566187071 /nfs/dbraw/zinc/18/70/71/566187071.db2.gz WLQRRSRRQVVJGA-FZMZJTMJSA-N 1 0 385.835 2.949 20 0 GFADRO C[NH+]1CCC2(CCCN2C(=O)c2cc(Br)cc3c2OCCO3)CC1 ZINC000613188854 566188539 /nfs/dbraw/zinc/18/85/39/566188539.db2.gz XKKYCIJFVMWPIR-UHFFFAOYSA-N 1 0 395.297 2.921 20 0 GFADRO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)C(=O)Nc1cscc1Cl ZINC000635096855 566192932 /nfs/dbraw/zinc/19/29/32/566192932.db2.gz WGHGZHXBEGGETA-UHFFFAOYSA-N 1 0 378.885 2.768 20 0 GFADRO Cc1cc(Br)cc(C(=O)N[C@@H](C)CC[NH+]2CCN(C)CC2)c1C ZINC000613602957 566204058 /nfs/dbraw/zinc/20/40/58/566204058.db2.gz NGZSDKMUORJEMD-AWEZNQCLSA-N 1 0 382.346 2.822 20 0 GFADRO C[N@@H+]1CC[C@@H](CC(=O)NC[C@H]2CCN(c3ccc(Br)cc3)C2)C1 ZINC000635393974 566210021 /nfs/dbraw/zinc/21/00/21/566210021.db2.gz DCVYCGOIKPCMNU-LSDHHAIUSA-N 1 0 380.330 2.733 20 0 GFADRO CS(=O)(=O)[C@H]1CCCCN(Cc2cnn(Cc3ccccc3Cl)c2)C1 ZINC000683723447 566210413 /nfs/dbraw/zinc/21/04/13/566210413.db2.gz CFJQQNDVQWCSCB-KRWDZBQOSA-N 1 0 381.929 2.984 20 0 GFADRO Cc1cccc(Cl)c1S(=O)(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000657042581 566211380 /nfs/dbraw/zinc/21/13/80/566211380.db2.gz YGIVPZPHFXUZEP-UHFFFAOYSA-N 1 0 386.945 2.818 20 0 GFADRO COc1cc(CNC(=O)C23CCC[NH+](CCC2)C3)cc(Br)c1OC ZINC000635462333 566214655 /nfs/dbraw/zinc/21/46/55/566214655.db2.gz PQJGGEUJYMHVHY-UHFFFAOYSA-N 1 0 397.313 2.959 20 0 GFADRO Cc1cc(S(=O)(=O)NCC2CC[NH+](Cc3ccncc3)CC2)sc1C ZINC000657108408 566224013 /nfs/dbraw/zinc/22/40/13/566224013.db2.gz YVSTZAGOROMORS-UHFFFAOYSA-N 1 0 379.551 2.950 20 0 GFADRO C[NH+](C)C[C@@]1(O)CCCN(C(=O)C2(c3ccc(Br)cc3)CCC2)C1 ZINC000684173967 566229259 /nfs/dbraw/zinc/22/92/59/566229259.db2.gz AWLOHSKVTFGDBP-SFHVURJKSA-N 1 0 395.341 2.786 20 0 GFADRO CCc1nn(C)cc1C[NH+]1CCC(OC)(c2nc(CC(F)(F)F)no2)CC1 ZINC000583615841 570801155 /nfs/dbraw/zinc/80/11/55/570801155.db2.gz BXXQEQGXSUVJNZ-UHFFFAOYSA-N 1 0 387.406 2.608 20 0 GFADRO O=C(CC[N@H+]1CCc2c(Cl)cccc2C1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000737847475 598865687 /nfs/dbraw/zinc/86/56/87/598865687.db2.gz SUKDPWKAZHFHPU-UHFFFAOYSA-N 1 0 382.855 2.907 20 0 GFADRO Cc1ccc(NC(=O)[C@@H](C)Oc2ccc(-c3nn[nH]n3)cc2)c(C[NH+](C)C)c1 ZINC000737357015 598868603 /nfs/dbraw/zinc/86/86/03/598868603.db2.gz UYRDYPNEXLKCOC-CQSZACIVSA-N 1 0 380.452 2.643 20 0 GFADRO NC(=O)[C@H]([NH2+]CC1(c2cccs2)CCCCC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000737732112 598886874 /nfs/dbraw/zinc/88/68/74/598886874.db2.gz WAEGHZCCVOARBR-QGZVFWFLSA-N 1 0 396.520 2.946 20 0 GFADRO O=C(CC[NH2+]C1(c2ccccc2)CCOCC1)Nc1sccc1-c1nn[nH]n1 ZINC000737846226 598917812 /nfs/dbraw/zinc/91/78/12/598917812.db2.gz IBGBHXGDCXZPTP-UHFFFAOYSA-N 1 0 398.492 2.552 20 0 GFADRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000736289182 598943315 /nfs/dbraw/zinc/94/33/15/598943315.db2.gz KIPPYQNOIDGLEK-MRXNPFEDSA-N 1 0 376.464 2.603 20 0 GFADRO COc1ccc([C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)N2CCCC2)cc1 ZINC000737074494 598950396 /nfs/dbraw/zinc/95/03/96/598950396.db2.gz IOFNAFWRGYEECB-FQEVSTJZSA-N 1 0 378.480 2.802 20 0 GFADRO CCc1ccc([C@H](C)[NH2+][C@H]2CCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)cc1 ZINC000736684948 598959641 /nfs/dbraw/zinc/95/96/41/598959641.db2.gz IIUPVCPCPFWLOF-LIRRHRJNSA-N 1 0 376.464 2.885 20 0 GFADRO CCOc1cccc([C@H](C)[NH2+][C@@H]2CCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)c1 ZINC000736654578 598960894 /nfs/dbraw/zinc/96/08/94/598960894.db2.gz KOKZEVDEHWDLMR-IFXJQAMLSA-N 1 0 392.463 2.722 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(c2c3ccccc3nnc2-c2nn[nH]n2)C1 ZINC000736269318 598969544 /nfs/dbraw/zinc/96/95/44/598969544.db2.gz WFSFTHGENBKYPW-CVEARBPZSA-N 1 0 392.511 2.901 20 0 GFADRO CC[NH+](CC)[C@H](CNC(=O)c1ccc(-c2nn[nH]n2)nc1)c1ccccc1Cl ZINC000736532820 598983386 /nfs/dbraw/zinc/98/33/86/598983386.db2.gz DGYYZRSZUQEQEW-QGZVFWFLSA-N 1 0 399.886 2.728 20 0 GFADRO O=C(OCc1ccc(-c2nn[nH]n2)cc1)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000738235865 599058097 /nfs/dbraw/zinc/05/80/97/599058097.db2.gz BBIPKKWSMDXJKD-SFHVURJKSA-N 1 0 395.438 2.961 20 0 GFADRO CC1(C)C[N@H+](CCC(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)C(C)(C)CO1 ZINC000736214702 599076607 /nfs/dbraw/zinc/07/66/07/599076607.db2.gz UEFFMGNNBHFOKH-UHFFFAOYSA-N 1 0 392.891 2.738 20 0 GFADRO CCc1ccc(CC(=O)N(CC[NH+](C)C)Cc2cccc(-c3nn[nH]n3)c2)cc1 ZINC000736682088 599077960 /nfs/dbraw/zinc/07/79/60/599077960.db2.gz GCBHOLHUTRTNML-UHFFFAOYSA-N 1 0 392.507 2.562 20 0 GFADRO Fc1ccc(OC2CC[NH+](CCOc3cccc(-c4nn[nH]n4)c3)CC2)cc1 ZINC000737656920 599081470 /nfs/dbraw/zinc/08/14/70/599081470.db2.gz QXFGUNVAICEING-UHFFFAOYSA-N 1 0 383.427 2.928 20 0 GFADRO NC(=O)[C@H](NCc1ccc(OC2CCCC2)cc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000737739606 599096847 /nfs/dbraw/zinc/09/68/47/599096847.db2.gz ZPLFMUYMTXUEJG-LJQANCHMSA-N 1 0 392.463 2.504 20 0 GFADRO NC(=O)[C@@H]([NH2+]CC1CCC(c2ccccc2)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000737729823 599098179 /nfs/dbraw/zinc/09/81/79/599098179.db2.gz CVXCCKWOMRLDHV-LAGYLCCXSA-N 1 0 390.491 2.957 20 0 GFADRO C[C@H]([NH2+][C@@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1)C12CC3CC(CC(C3)C1)C2 ZINC000736126410 599099870 /nfs/dbraw/zinc/09/98/70/599099870.db2.gz NECWHEJAASOZTB-JCVJWKGPSA-N 1 0 380.496 2.588 20 0 GFADRO CC(C)C[C@H](CNC(=O)c1ccc(-c2nn[nH]n2)nc1)[NH2+][C@@H](C)c1ccccc1 ZINC000735773107 599107724 /nfs/dbraw/zinc/10/77/24/599107724.db2.gz WCDJXZAUQKVGFT-MAUKXSAKSA-N 1 0 393.495 2.757 20 0 GFADRO Cc1cccc2c1ncc(-c1nn[nH]n1)c2NC[C@H](Cc1ccccc1)[NH+](C)C ZINC000737410294 599122356 /nfs/dbraw/zinc/12/23/56/599122356.db2.gz QZXZOMYOLWUORS-KRWDZBQOSA-N 1 0 387.491 2.730 20 0 GFADRO COc1cccc(CCC[NH+]2CCN(c3ccccc3-c3nn[nH]n3)CC2)c1 ZINC000737131016 599133138 /nfs/dbraw/zinc/13/31/38/599133138.db2.gz MDNVWRQCEAICRF-UHFFFAOYSA-N 1 0 378.480 2.630 20 0 GFADRO C[C@@H]1C[N@H+](C[C@H](O)COc2ccc(-c3nn[nH]n3)cc2)CC[C@H]1c1ccccc1 ZINC000736285559 599144659 /nfs/dbraw/zinc/14/46/59/599144659.db2.gz KSPKYKFPQUKEPI-LKUPVBHCSA-N 1 0 393.491 2.732 20 0 GFADRO C[C@H](CNC(=O)N(CC[NH+](C)C)Cc1ccc(-c2nn[nH]n2)cc1)C(C)(C)C ZINC000736016687 599146658 /nfs/dbraw/zinc/14/66/58/599146658.db2.gz CECOITLPHCZJKJ-OAHLLOKOSA-N 1 0 387.532 2.622 20 0 GFADRO C[C@H](C(=O)N(CC[NH+](C)C)Cc1ccc(-c2nn[nH]n2)cc1)c1cccc(F)c1 ZINC000735514816 599183718 /nfs/dbraw/zinc/18/37/18/599183718.db2.gz XDSHQXGYSUZXKI-HNNXBMFYSA-N 1 0 396.470 2.700 20 0 GFADRO Cc1c(NC(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cccc1-c1nn[nH]n1 ZINC000822077316 607282202 /nfs/dbraw/zinc/28/22/02/607282202.db2.gz UMPITJOTCODHJH-QGZVFWFLSA-N 1 0 391.479 2.913 20 0 GFADRO C[NH+](C)[C@H](CNc1c(-c2nn[nH]n2)cnc2ccc(Cl)cc21)c1ccco1 ZINC000736757526 599254660 /nfs/dbraw/zinc/25/46/60/599254660.db2.gz BQGRRNLDBUCLRL-OAHLLOKOSA-N 1 0 383.843 2.798 20 0 GFADRO COc1cccc([C@H](CNC(=O)Nc2cccc(-c3nn[nH]n3)c2C)[NH+](C)C)c1 ZINC000821859379 607288692 /nfs/dbraw/zinc/28/86/92/607288692.db2.gz NPKJAMHKIIXVKB-SFHVURJKSA-N 1 0 395.467 2.608 20 0 GFADRO CCc1ccccc1C(=O)N(CC[NH+](C)C)Cc1cccc(-c2nn[nH]n2)c1 ZINC000821492136 607314909 /nfs/dbraw/zinc/31/49/09/607314909.db2.gz IDNUDFGGJMWMGI-UHFFFAOYSA-N 1 0 378.480 2.633 20 0 GFADRO C[C@H]1C[C@H](N(C)C(=O)Nc2ccc(-c3nn[nH]n3)c(C(F)(F)F)c2)CC[N@@H+]1C ZINC000820659051 599288343 /nfs/dbraw/zinc/28/83/43/599288343.db2.gz VVHQYFWSRKRCCW-CMPLNLGQSA-N 1 0 397.405 2.832 20 0 GFADRO C[C@@H](C(=O)N1CCCCCC1)[NH+]1CCC(Oc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000735522219 598248464 /nfs/dbraw/zinc/24/84/64/598248464.db2.gz ZJYPIFCAHMNLNZ-INIZCTEOSA-N 1 0 398.511 2.501 20 0 GFADRO Cc1ccccc1[C@H]1CC[N@@H+]([C@H]2CCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)C1 ZINC000737425192 598255443 /nfs/dbraw/zinc/25/54/43/598255443.db2.gz ZZEHXVPAZSIOJX-PXNSSMCTSA-N 1 0 388.475 2.770 20 0 GFADRO C[N@H+](CCNC(=O)Nc1cc(-c2nn[nH]n2)cn1C(C)(C)C)Cc1ccccc1 ZINC000736799659 598280059 /nfs/dbraw/zinc/28/00/59/598280059.db2.gz CGSRQBJCFORXAF-UHFFFAOYSA-N 1 0 396.499 2.677 20 0 GFADRO Clc1cccc([C@@H](C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)N2CCOCC2)c1 ZINC000737576469 598287966 /nfs/dbraw/zinc/28/79/66/598287966.db2.gz XONPGRGAOLVLFZ-LJQANCHMSA-N 1 0 398.898 2.683 20 0 GFADRO COc1ccc(Cl)cc1N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000737098253 598356323 /nfs/dbraw/zinc/35/63/23/598356323.db2.gz AELZZSFOKKIQCS-MRXNPFEDSA-N 1 0 384.871 2.897 20 0 GFADRO CC(C)N(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000736265655 598428531 /nfs/dbraw/zinc/42/85/31/598428531.db2.gz KUUHIMVLDPDTOR-MRXNPFEDSA-N 1 0 385.516 2.519 20 0 GFADRO CCC[NH+]1CCC(CNC(=O)N(Cc2ccc(-c3nn[nH]n3)cc2)C(C)C)CC1 ZINC000736481560 598429734 /nfs/dbraw/zinc/42/97/34/598429734.db2.gz WLMHQPMOHUNACF-UHFFFAOYSA-N 1 0 399.543 2.909 20 0 GFADRO O=C(NCc1ccc(C[NH+]2CCCCCC2)cc1)c1ccc(-c2nn[nH]n2)cn1 ZINC000738104189 598462727 /nfs/dbraw/zinc/46/27/27/598462727.db2.gz UPSXLHHCKJCMMG-UHFFFAOYSA-N 1 0 391.479 2.568 20 0 GFADRO O=C(C[N@@H+]1CCC[C@H](c2ccccc2)CC1)NCc1cccc(-c2nn[nH]n2)c1 ZINC000737876950 598463537 /nfs/dbraw/zinc/46/35/37/598463537.db2.gz LDGBVFXGIHPXTK-IBGZPJMESA-N 1 0 390.491 2.753 20 0 GFADRO CCCOc1ccc(C[NH2+]C2CCN(c3ccc(-c4nn[nH]n4)cn3)CC2)cc1 ZINC000736490208 598467452 /nfs/dbraw/zinc/46/74/52/598467452.db2.gz ICPHJLUPGPJURW-UHFFFAOYSA-N 1 0 393.495 2.809 20 0 GFADRO C[C@@H](CNC(=O)N(Cc1ccc(-c2nn[nH]n2)cc1)C1CC1)[NH+]1CCC(C)CC1 ZINC000736277224 598479239 /nfs/dbraw/zinc/47/92/39/598479239.db2.gz LHARPHMDLXUYHH-INIZCTEOSA-N 1 0 397.527 2.661 20 0 GFADRO COc1ccc(C2([NH2+]Cc3cc(-c4nn[nH]n4)ccc3F)CCOCC2)cc1 ZINC000737076318 598487053 /nfs/dbraw/zinc/48/70/53/598487053.db2.gz OEWLMNROVQPQAA-UHFFFAOYSA-N 1 0 383.427 2.810 20 0 GFADRO CC(C)(C)C[C@H]([NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1ccccc1 ZINC000735593543 598521143 /nfs/dbraw/zinc/52/11/43/598521143.db2.gz JPCITIKPVORSDB-YOEHRIQHSA-N 1 0 380.500 2.872 20 0 GFADRO Clc1ccc([C@H]([NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)C2CCC2)cc1 ZINC000737571225 598530972 /nfs/dbraw/zinc/53/09/72/598530972.db2.gz XGIAKUKEYIKLIH-SJKOYZFVSA-N 1 0 398.902 2.889 20 0 GFADRO C[C@H](CNc1ccc(Cl)c(-c2nn[nH]n2)n1)[NH+]1CCN(c2ccccc2)CC1 ZINC000736025460 598574660 /nfs/dbraw/zinc/57/46/60/598574660.db2.gz GXPLLGMIYFTUCT-CQSZACIVSA-N 1 0 398.902 2.538 20 0 GFADRO C[NH+](C)C1(CNc2c(-c3nn[nH]n3)cnc3c(F)ccc(Cl)c32)CCCC1 ZINC000736757030 598591801 /nfs/dbraw/zinc/59/18/01/598591801.db2.gz MXDSINZKORRZKO-UHFFFAOYSA-N 1 0 389.866 2.916 20 0 GFADRO O=C(NCc1cccc(C[NH+]2CCCC2)c1)Nc1ccc(F)c(-c2nn[nH]n2)c1 ZINC000738117319 598624918 /nfs/dbraw/zinc/62/49/18/598624918.db2.gz PZIWMGQXGYXVHD-UHFFFAOYSA-N 1 0 395.442 2.923 20 0 GFADRO C[N@@H+]1CCC[C@H]1C(=O)N(Cc1ccc(-c2nn[nH]n2)cc1)Cc1cccc(F)c1 ZINC000736856053 598627116 /nfs/dbraw/zinc/62/71/16/598627116.db2.gz KRAZMBIUYDXGJS-IBGZPJMESA-N 1 0 394.454 2.629 20 0 GFADRO Cc1ccc([C@@H](CNC(=O)Nc2ccc(F)c(-c3nn[nH]n3)c2)[NH+](C)C)cc1 ZINC000737321726 598629534 /nfs/dbraw/zinc/62/95/34/598629534.db2.gz VXMDLUIHXAMPGI-QGZVFWFLSA-N 1 0 383.431 2.739 20 0 GFADRO Cc1cc[nH+]c(NC[C@H]2CCN(c3snc(Cl)c3-c3nn[nH]n3)C2)c1 ZINC000737437279 598671805 /nfs/dbraw/zinc/67/18/05/598671805.db2.gz NNKGHEAXJNMIPH-SNVBAGLBSA-N 1 0 376.877 2.618 20 0 GFADRO C[NH+](C)CCCOc1ccc(CNc2nc3c(cc2-c2nn[nH]n2)CCC3)cc1 ZINC000736767381 598674520 /nfs/dbraw/zinc/67/45/20/598674520.db2.gz PDUGLCDHMLFUCJ-UHFFFAOYSA-N 1 0 393.495 2.693 20 0 GFADRO Cc1cc(C)c(-c2nn[nH]n2)c(NCc2ccc(OCC[NH+]3CCCC3)cc2)n1 ZINC000737239907 598680089 /nfs/dbraw/zinc/68/00/89/598680089.db2.gz HJBIZPFSDIPKSC-UHFFFAOYSA-N 1 0 393.495 2.965 20 0 GFADRO CC[C@@H](C)[N@H+](C)CCNC(=O)c1ccc(Oc2ccc(-c3nn[nH]n3)cn2)cc1 ZINC000736322096 598686790 /nfs/dbraw/zinc/68/67/90/598686790.db2.gz HZRMDZHZZGBMBW-CQSZACIVSA-N 1 0 395.467 2.514 20 0 GFADRO C[NH+](C)CC(C)(C)CNC(=O)c1cccc(Oc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000736763636 598698748 /nfs/dbraw/zinc/69/87/48/598698748.db2.gz NCKUZNCPDIXRCT-UHFFFAOYSA-N 1 0 394.479 2.977 20 0 GFADRO Cc1cc(N(C)CC2CC[NH+](C)CC2)n2c3ccccc3nc2c1-c1nn[nH]n1 ZINC000737269671 598757500 /nfs/dbraw/zinc/75/75/00/598757500.db2.gz FTUGEVODHXNZDF-UHFFFAOYSA-N 1 0 390.495 2.754 20 0 GFADRO CC(C)Oc1ccc(-c2nn[nH]n2)cc1NC(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1C ZINC000735905528 598760735 /nfs/dbraw/zinc/76/07/35/598760735.db2.gz KFJRUWUBPQBWCU-IAGOWNOFSA-N 1 0 399.499 2.744 20 0 GFADRO Cc1nnc(Nc2cccc(C[NH+]3CCSCC3)c2)c(-c2nn[nH]n2)c1C ZINC000737534739 598810100 /nfs/dbraw/zinc/81/01/00/598810100.db2.gz WGVXPMPDGSAKPQ-UHFFFAOYSA-N 1 0 382.497 2.566 20 0 GFADRO Cc1ccc([C@H](C[NH2+][C@@H](C)c2ccc(-c3nn[nH]n3)cc2)N2CCOCC2)s1 ZINC000737320834 599317712 /nfs/dbraw/zinc/31/77/12/599317712.db2.gz WGZAIEHQFBRUIO-YJBOKZPZSA-N 1 0 398.536 2.961 20 0 GFADRO C[C@@H]([NH2+][C@H](C)c1cccc(-c2nn[nH]n2)c1)C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000820413633 599388585 /nfs/dbraw/zinc/38/85/85/599388585.db2.gz SUOLTTBLDGFRNL-GZAZSINKSA-N 1 0 394.523 2.991 20 0 GFADRO CC(=O)c1ccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2cccc(-c3nn[nH]n3)c2)cc1 ZINC000819835397 599389033 /nfs/dbraw/zinc/38/90/33/599389033.db2.gz XHPSVOJQRWKLAM-OLZOCXBDSA-N 1 0 378.436 2.747 20 0 GFADRO CC(=O)c1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2cccc(-c3nn[nH]n3)c2)cc1 ZINC000819835399 599389156 /nfs/dbraw/zinc/38/91/56/599389156.db2.gz XHPSVOJQRWKLAM-QWHCGFSZSA-N 1 0 378.436 2.747 20 0 GFADRO CCc1ccc([C@@H](C[NH2+]Cc2ccc(OC)c(-c3nn[nH]n3)c2)N(C)C)cc1 ZINC000821481786 599391002 /nfs/dbraw/zinc/39/10/02/599391002.db2.gz NYVDVIQKVXDTPZ-LJQANCHMSA-N 1 0 380.496 2.830 20 0 GFADRO C[C@@H](NC(=O)NC[C@@H](c1ccsc1)[NH+](C)C)c1cccc(-c2nn[nH]n2)c1 ZINC000820357288 599406350 /nfs/dbraw/zinc/40/63/50/599406350.db2.gz FNLJYJRKXIXUJC-WBMJQRKESA-N 1 0 385.497 2.591 20 0 GFADRO COc1ccccc1[C@@H](CNc1cccc(-c2nn[nH]n2)n1)[NH+]1CCCCC1 ZINC000737141161 599415037 /nfs/dbraw/zinc/41/50/37/599415037.db2.gz HNSJLQPRHRQRGX-QGZVFWFLSA-N 1 0 379.468 2.909 20 0 GFADRO CCN(CCC[NH2+]Cc1ccc(OC)c(-c2nn[nH]n2)c1)C(=O)OC(C)(C)C ZINC000821207899 599427809 /nfs/dbraw/zinc/42/78/09/599427809.db2.gz XMZAEGWDCKAGQI-UHFFFAOYSA-N 1 0 390.488 2.612 20 0 GFADRO COc1ccc(C[NH2+]CCCOc2cccc3cccnc32)cc1-c1nn[nH]n1 ZINC000821814244 599437309 /nfs/dbraw/zinc/43/73/09/599437309.db2.gz YSIUKUUOGBBOIW-UHFFFAOYSA-N 1 0 390.447 2.982 20 0 GFADRO COc1cccc(C[NH2+]CCOc2ccc(-c3nn[nH]n3)cc2)c1OC(C)C ZINC000821867915 599450630 /nfs/dbraw/zinc/45/06/30/599450630.db2.gz LCXZTSFFTJYKKC-UHFFFAOYSA-N 1 0 383.452 2.831 20 0 GFADRO C[C@H](OCCC[NH2+]Cc1cnc2ccc(-c3nn[nH]n3)cn12)c1ccccc1 ZINC000736165453 599482255 /nfs/dbraw/zinc/48/22/55/599482255.db2.gz VCALNXSIYCUBSO-HNNXBMFYSA-N 1 0 377.452 2.772 20 0 GFADRO Cc1ccc(CSCC[NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)cc1 ZINC000737343448 599482565 /nfs/dbraw/zinc/48/25/65/599482565.db2.gz PIHRJYFCUIFTRH-UHFFFAOYSA-N 1 0 379.493 2.846 20 0 GFADRO C[C@@H](NC(=O)NC[C@H](c1ccccc1)[NH+](C)C)c1cccc(-c2nn[nH]n2)c1 ZINC000820356602 599483078 /nfs/dbraw/zinc/48/30/78/599483078.db2.gz AFMGHVZDAMHXEE-RDTXWAMCSA-N 1 0 379.468 2.530 20 0 GFADRO CC[NH+](CC)[C@H](CNc1c(-c2nn[nH]n2)cnc2ccccc21)c1ccco1 ZINC000821182686 599500444 /nfs/dbraw/zinc/50/04/44/599500444.db2.gz XHPKGNAKXYJYSJ-QGZVFWFLSA-N 1 0 377.452 2.925 20 0 GFADRO CCOCC[N@@H+]1CCN(c2c(-c3nn[nH]n3)cnc3c(C)cc(C)cc32)C[C@H]1C ZINC000821378627 599534524 /nfs/dbraw/zinc/53/45/24/599534524.db2.gz QLQLEFALGBQKJW-MRXNPFEDSA-N 1 0 395.511 2.579 20 0 GFADRO CC[N@@H+]1CCC[C@@H](NC(=O)c2cccc(Nc3ccc(-c4nn[nH]n4)cc3)c2)C1 ZINC000736568354 599569023 /nfs/dbraw/zinc/56/90/23/599569023.db2.gz ANAZSBUAXVKPEB-LJQANCHMSA-N 1 0 391.479 2.824 20 0 GFADRO C[C@H](C[NH+]1CCN(c2ccccc2)CC1)Nc1ccc(F)cc1-c1nn[nH]n1 ZINC000820261301 599576286 /nfs/dbraw/zinc/57/62/86/599576286.db2.gz MHMPBLSKRDRWNO-OAHLLOKOSA-N 1 0 381.459 2.628 20 0 GFADRO c1cc(-c2nn[nH]n2)cc(-c2nnc(C[N@@H+](C[C@@H]3CCCO3)C3CCCC3)o2)c1 ZINC000823738014 599581968 /nfs/dbraw/zinc/58/19/68/599581968.db2.gz NAGRDDNYKKIJBJ-KRWDZBQOSA-N 1 0 395.467 2.840 20 0 GFADRO Cc1ncsc1CC[NH+]1CCC(C(=O)Nc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000737502664 599582034 /nfs/dbraw/zinc/58/20/34/599582034.db2.gz HGGUSLNJDBYIBM-UHFFFAOYSA-N 1 0 397.508 2.525 20 0 GFADRO C[C@H](c1ccc(-c2nn[nH]n2)cc1)[N@@H+]1CCc2c(cccc2N2CCOC2=O)C1 ZINC000820561909 599583900 /nfs/dbraw/zinc/58/39/00/599583900.db2.gz BKSCDXJJIULGOA-CQSZACIVSA-N 1 0 390.447 2.943 20 0 GFADRO COc1ccccc1[C@H]1CC[N@H+](CCC(=O)Nc2ccccc2-c2nn[nH]n2)C1 ZINC000737145677 599591913 /nfs/dbraw/zinc/59/19/13/599591913.db2.gz DZHLZAJGFCVFMO-HNNXBMFYSA-N 1 0 392.463 2.693 20 0 GFADRO COc1ccccc1[C@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccccc2-c2nn[nH]n2)C1 ZINC000737148709 599592380 /nfs/dbraw/zinc/59/23/80/599592380.db2.gz USFSXWQEEKSNLG-CABCVRRESA-N 1 0 392.463 2.692 20 0 GFADRO Cc1ccc([C@@H]2C[C@@H](C)CC[N@@H+]2C[C@@H](O)COc2ccc(-c3nn[nH]n3)cc2)o1 ZINC000822233525 599592682 /nfs/dbraw/zinc/59/26/82/599592682.db2.gz QQWFOKIIZYHKQA-YJLNNSPDSA-N 1 0 397.479 2.981 20 0 GFADRO CCC[N@H+](CCC(=O)Nc1cccc(-c2nn[nH]n2)c1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000821094790 599639157 /nfs/dbraw/zinc/63/91/57/599639157.db2.gz QOGCJWFCTKVKDI-QXAKKESOSA-N 1 0 398.511 2.721 20 0 GFADRO C[C@@H]1C[N@H+](CCC(=O)Nc2ccccc2-c2nn[nH]n2)[C@@H](c2ccccc2)CO1 ZINC000820753560 599645107 /nfs/dbraw/zinc/64/51/07/599645107.db2.gz ZHAPSJBQWQYBAE-DNVCBOLYSA-N 1 0 392.463 2.657 20 0 GFADRO C[C@@H](NC(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C)c1cccc(-c2nn[nH]n2)c1 ZINC000820357764 599665021 /nfs/dbraw/zinc/66/50/21/599665021.db2.gz JRWBVYDTGVLUNJ-FZKQIMNGSA-N 1 0 397.458 2.669 20 0 GFADRO CC(C)N(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000820115891 599678419 /nfs/dbraw/zinc/67/84/19/599678419.db2.gz AYNBKOWPLVMBRS-YQQQUEKLSA-N 1 0 397.527 2.802 20 0 GFADRO C[C@H](NC(=O)N1CC[NH+](CC2CCCCC2)CC1)c1cccc(-c2nn[nH]n2)c1 ZINC000820348921 599679867 /nfs/dbraw/zinc/67/98/67/599679867.db2.gz GTPLREKWBUMNLC-INIZCTEOSA-N 1 0 397.527 2.835 20 0 GFADRO C[C@H](NC(=O)N1CC[NH+](CCC(C)(C)C)CC1)c1cccc(-c2nn[nH]n2)c1 ZINC000820350276 599679978 /nfs/dbraw/zinc/67/99/78/599679978.db2.gz KEAQUBYYQKYTJO-HNNXBMFYSA-N 1 0 385.516 2.691 20 0 GFADRO CC(C)[NH+]1CCC(C(=O)Nc2cc(-c3nn[nH]n3)ccc2OC(F)F)CC1 ZINC000820129096 599699686 /nfs/dbraw/zinc/69/96/86/599699686.db2.gz XAKLSDLMHGSGSF-UHFFFAOYSA-N 1 0 380.399 2.527 20 0 GFADRO CCS[C@@H]1CC[C@@H]([N@H+](C)CC(=O)Nc2oc(C)c(C)c2-c2nn[nH]n2)C1 ZINC000821447711 607453797 /nfs/dbraw/zinc/45/37/97/607453797.db2.gz KEPWVUYJVVBJBI-CHWSQXEVSA-N 1 0 378.502 2.621 20 0 GFADRO C[N@H+](CCCNC(=O)NC1(c2cccc(-c3nn[nH]n3)c2)CC1)C1CCCCC1 ZINC000825918693 607450803 /nfs/dbraw/zinc/45/08/03/607450803.db2.gz JMOVVZNDOYCITG-UHFFFAOYSA-N 1 0 397.527 2.810 20 0 GFADRO Cc1oc(NC(=O)C[N@@H+](C)[C@@H](C)Cc2ccc(C)cc2)c(-c2nn[nH]n2)c1C ZINC000822234746 607452496 /nfs/dbraw/zinc/45/24/96/607452496.db2.gz GGZHDYLCJDLDAS-ZDUSSCGKSA-N 1 0 382.468 2.886 20 0 GFADRO COc1ccc(-c2nn[nH]n2)cc1CN(C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000826182027 607470765 /nfs/dbraw/zinc/47/07/65/607470765.db2.gz XHOWXHMELYCIFD-IBGZPJMESA-N 1 0 378.480 2.582 20 0 GFADRO C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@@H+]1Cc1ccc(F)cc1-c1nn[nH]n1 ZINC000824892666 607474949 /nfs/dbraw/zinc/47/49/49/607474949.db2.gz LLQOSIGRGPIIMX-WFASDCNBSA-N 1 0 390.463 2.883 20 0 GFADRO CC(C)(C)OC(=O)N1CCCC[C@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC000819933180 607476124 /nfs/dbraw/zinc/47/61/24/607476124.db2.gz ITJVJXAPCKVCKR-HNNXBMFYSA-N 1 0 390.463 2.885 20 0 GFADRO CCc1noc(-c2ccc(CC[NH2+]Cc3ccc(-c4nn[nH]n4)cc3F)cc2)n1 ZINC000821554802 607480646 /nfs/dbraw/zinc/48/06/46/607480646.db2.gz SKOYNEVHAUAGOX-UHFFFAOYSA-N 1 0 393.426 2.951 20 0 GFADRO O[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)c1ccccc1C(F)(F)F ZINC000823682198 607478128 /nfs/dbraw/zinc/47/81/28/607478128.db2.gz OEHOCJFBTMPREH-OAHLLOKOSA-N 1 0 381.333 2.848 20 0 GFADRO Fc1cc(-c2nn[nH]n2)ccc1C[NH2+]CCc1nc(-c2ccncc2)cs1 ZINC000822744645 607483048 /nfs/dbraw/zinc/48/30/48/607483048.db2.gz YTASWMBYOCOKTA-UHFFFAOYSA-N 1 0 381.440 2.857 20 0 GFADRO COc1ccc(C[NH+]2CCC([C@@H](O)c3ccc(F)cc3)CC2)cc1-c1nn[nH]n1 ZINC000826193407 607499534 /nfs/dbraw/zinc/49/95/34/607499534.db2.gz CBDOQHABBBRTQZ-FQEVSTJZSA-N 1 0 397.454 2.960 20 0 GFADRO COc1cccc(C[N@H+](Cc2ccnc(-c3nn[nH]n3)c2)C2CCC(O)CC2)c1 ZINC000826215900 607504107 /nfs/dbraw/zinc/50/41/07/607504107.db2.gz BPXSZIKLZCLHEH-UHFFFAOYSA-N 1 0 394.479 2.576 20 0 GFADRO O[C@@H](C[N@H+](Cc1ccccc1)Cc1ccnc(-c2nn[nH]n2)c1)c1ccco1 ZINC000826502895 607513173 /nfs/dbraw/zinc/51/31/73/607513173.db2.gz MEFDCHBOVCZTSA-SFHVURJKSA-N 1 0 376.420 2.591 20 0 GFADRO CC[N@H+](Cc1ccc(C(=O)N(C)C)cc1)Cc1cc(-c2nn[nH]n2)ccc1OC ZINC000825434794 607525889 /nfs/dbraw/zinc/52/58/89/607525889.db2.gz FPCXKAWGSAVUMD-UHFFFAOYSA-N 1 0 394.479 2.599 20 0 GFADRO C[N@H+](CC1CCN(C(=O)[O-])CC1)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000739664121 602678040 /nfs/dbraw/zinc/67/80/40/602678040.db2.gz HRZRLECNYZGWQK-OAQYLSRUSA-N 1 0 389.540 2.754 20 0 GFADRO C[N@H+](CC1CC[NH+](C[C@H](O)c2ccccc2)CC1)C[C@@H]1CCCN(C(=O)[O-])C1 ZINC000739664115 602706869 /nfs/dbraw/zinc/70/68/69/602706869.db2.gz HPGUKGVITDHFRO-FPOVZHCZSA-N 1 0 389.540 2.754 20 0 GFADRO Cc1cc(-c2nn[nH]n2)ccc1C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000826248666 607673792 /nfs/dbraw/zinc/67/37/92/607673792.db2.gz RXPGZXPZNUFEQA-SFHVURJKSA-N 1 0 390.491 2.817 20 0 GFADRO CN(c1ccccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)[O-])C1CC[NH+](C)CC1 ZINC000828466255 604374405 /nfs/dbraw/zinc/37/44/05/604374405.db2.gz MSDHVGSBNXXMRN-CTXDPNEZSA-N 1 0 386.540 2.980 20 0 GFADRO COc1cc(OC)cc([C@@H](C(=O)[O-])[N@@H+]2CC[C@@H](CNc3cc(C)cc[nH+]3)C2)c1 ZINC000832040976 604465889 /nfs/dbraw/zinc/46/58/89/604465889.db2.gz MOLCXIFGQFNKAS-YWZLYKJASA-N 1 0 385.464 2.967 20 0 GFADRO C[C@H](Oc1ccc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)cc1)C(=O)[O-] ZINC000833539009 604664961 /nfs/dbraw/zinc/66/49/61/604664961.db2.gz FQOXJOFJVIOWJN-KRWDZBQOSA-N 1 0 376.497 2.615 20 0 GFADRO CC(C)[NH+]1CCN(C2CC[NH+](Cc3ccc(O[C@H](C)C(=O)[O-])cc3)CC2)CC1 ZINC000833542246 604681340 /nfs/dbraw/zinc/68/13/40/604681340.db2.gz QLCOXMYCCXVECP-GOSISDBHSA-N 1 0 389.540 2.529 20 0 GFADRO C[N@H+](CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1)[C@@H](C(=O)[O-])c1cccnc1 ZINC000833693276 604871356 /nfs/dbraw/zinc/87/13/56/604871356.db2.gz RNTMCVCCHACNQC-NHCUHLMSSA-N 1 0 383.492 2.585 20 0 GFADRO O=C([O-])CCC[NH+]1CCC(NC[C@H]2CCC[N@H+](Cc3cccs3)C2)CC1 ZINC000833773837 605223353 /nfs/dbraw/zinc/22/33/53/605223353.db2.gz SZEYCMIAQHRGFV-QGZVFWFLSA-N 1 0 379.570 2.879 20 0 GFADRO O=C([O-])CCC[NH+]1CCC([NH2+][C@H]2CCN(c3ccccc3OC(F)F)C2)CC1 ZINC000833773503 605223782 /nfs/dbraw/zinc/22/37/82/605223782.db2.gz PVRUHUOLPGDJEK-INIZCTEOSA-N 1 0 397.466 2.786 20 0 GFADRO CC[N@H+](C)Cc1cccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCCN2C(=O)[O-])c1 ZINC000833856238 605826580 /nfs/dbraw/zinc/82/65/80/605826580.db2.gz BYWOZXSWWZWMHD-VAMGGRTRSA-N 1 0 375.513 2.775 20 0 GFADRO CN(C(=O)c1cccc(-c2nn[nH]n2)c1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000821574547 606034046 /nfs/dbraw/zinc/03/40/46/606034046.db2.gz LIEPBTUTYIVHLX-IBGZPJMESA-N 1 0 376.464 2.603 20 0 GFADRO C[C@H]1[C@@H](Cc2ccccc2)CC[N@@H+]1CC(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000820643241 606112565 /nfs/dbraw/zinc/11/25/65/606112565.db2.gz SLUCXBUKNWNJNM-DOTOQJQBSA-N 1 0 376.464 2.758 20 0 GFADRO C[C@@H]1CC[N@H+](C[C@@H](O)COc2ccc(-c3nn[nH]n3)cc2)[C@@H]1c1cccc(F)c1 ZINC000820722148 606112669 /nfs/dbraw/zinc/11/26/69/606112669.db2.gz GBKHLNQUTCVCEO-DJKXOVBDSA-N 1 0 397.454 2.829 20 0 GFADRO Cn1cccc1[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000822693836 606113177 /nfs/dbraw/zinc/11/31/77/606113177.db2.gz LDDNWGQLCCJQSR-SFHVURJKSA-N 1 0 379.468 2.761 20 0 GFADRO Cc1oc(NC(=O)C[N@H+]2CC[C@@H](Cc3ccccc3)[C@@H]2C)c(-c2nn[nH]n2)c1C ZINC000822548753 606114325 /nfs/dbraw/zinc/11/43/25/606114325.db2.gz NDEACCJZQJJATA-YOEHRIQHSA-N 1 0 394.479 2.968 20 0 GFADRO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000820995567 606132076 /nfs/dbraw/zinc/13/20/76/606132076.db2.gz UIHPLQNQTOPDQV-QWHCGFSZSA-N 1 0 375.864 2.611 20 0 GFADRO Cc1cc(F)ccc1N(Cc1cccc(-c2nn[nH]n2)c1)C(=O)[C@H](C)[NH+](C)C ZINC000822205692 606155836 /nfs/dbraw/zinc/15/58/36/606155836.db2.gz FJKGVYYHLCLNFL-AWEZNQCLSA-N 1 0 382.443 2.798 20 0 GFADRO C[C@H](c1ccc([S@](C)=O)cc1)[N@H+](C)CCOc1cccc(-c2nn[nH]n2)c1 ZINC000820563302 606159324 /nfs/dbraw/zinc/15/93/24/606159324.db2.gz PVWHYRCQUQWOJA-ASHKIFAZSA-N 1 0 385.493 2.676 20 0 GFADRO O=C(CSCc1ccc(-c2nn[nH]n2)cc1)OCCC[NH+]1CCCCC1 ZINC000823061010 606170241 /nfs/dbraw/zinc/17/02/41/606170241.db2.gz RSBSPIVFZQTBNB-UHFFFAOYSA-N 1 0 375.498 2.519 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)c2sccc2-c2nn[nH]n2)CC[N@@H+]1Cc1ccccc1 ZINC000820659113 606189230 /nfs/dbraw/zinc/18/92/30/606189230.db2.gz WKMLBRLOMHYCON-UKRRQHHQSA-N 1 0 382.493 2.711 20 0 GFADRO Cc1nnc(N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c(-c2nn[nH]n2)c1C ZINC000822516415 606200295 /nfs/dbraw/zinc/20/02/95/606200295.db2.gz YZNLZHYNIGBQMN-GUYCJALGSA-N 1 0 378.484 2.739 20 0 GFADRO O[C@@H](C[NH2+]Cc1cc(-c2nn[nH]n2)cs1)c1ccc(OC(F)(F)F)cc1 ZINC000823681846 606216452 /nfs/dbraw/zinc/21/64/52/606216452.db2.gz LCMSOGIMWOXIFX-ZDUSSCGKSA-N 1 0 385.371 2.650 20 0 GFADRO CC(C)(C)OC(=O)NC[C@@H]1CCC[C@@H]1[NH2+]Cc1cc(-c2nn[nH]n2)cs1 ZINC000819939383 606222596 /nfs/dbraw/zinc/22/25/96/606222596.db2.gz AKMQJOWNZYTQER-FZMZJTMJSA-N 1 0 378.502 2.711 20 0 GFADRO CC[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1c1nc(C(F)(F)F)ccc1-c1nn[nH]n1 ZINC000821000230 606226842 /nfs/dbraw/zinc/22/68/42/606226842.db2.gz BDCOTJMMXHACMN-VXGBXAGGSA-N 1 0 381.406 2.734 20 0 GFADRO CCC(CC)(CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)[NH2+][C@H](C)c1ccccc1 ZINC000820887948 606272554 /nfs/dbraw/zinc/27/25/54/606272554.db2.gz YMRNJUYROLPJMS-CQSZACIVSA-N 1 0 381.484 2.834 20 0 GFADRO CCCC1CCC([NH2+]CCS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000821040792 606309445 /nfs/dbraw/zinc/30/94/45/606309445.db2.gz RWXBZBKGZQKJDE-UHFFFAOYSA-N 1 0 377.514 2.589 20 0 GFADRO C[C@@H](C[N@H+](C)[C@@H]1CCN(c2sccc2-c2nn[nH]n2)C1=O)c1ccccc1 ZINC000820254689 606318386 /nfs/dbraw/zinc/31/83/86/606318386.db2.gz UWYMXJQVJVECJI-XJKSGUPXSA-N 1 0 382.493 2.769 20 0 GFADRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)Nc2ccc(F)cc2-c2nn[nH]n2)C1 ZINC000820570156 606347197 /nfs/dbraw/zinc/34/71/97/606347197.db2.gz DXWIARJYIWGYAR-BBRMVZONSA-N 1 0 395.442 2.963 20 0 GFADRO Cc1ccc(C[NH+](C)C)cc1NC(=O)[C@H](C)Oc1ccccc1-c1nn[nH]n1 ZINC000822237466 606368024 /nfs/dbraw/zinc/36/80/24/606368024.db2.gz VDEFHRPILARRKJ-AWEZNQCLSA-N 1 0 380.452 2.643 20 0 GFADRO C[C@@H]1CN([C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)c2cccs2)CCO1 ZINC000820752814 606417671 /nfs/dbraw/zinc/41/76/71/606417671.db2.gz RYLOYXFDVCDXDW-TZMCWYRMSA-N 1 0 390.538 2.541 20 0 GFADRO C[C@](CO)([NH2+]Cc1ccc(-c2nn[nH]n2)s1)c1cccc(C(F)(F)F)c1 ZINC000820280169 606419737 /nfs/dbraw/zinc/41/97/37/606419737.db2.gz AAQZFWQOLDAUEV-OAHLLOKOSA-N 1 0 383.399 2.944 20 0 GFADRO C[C@@](CO)([NH2+]Cc1ccc(-c2nn[nH]n2)s1)c1cccc(C(F)(F)F)c1 ZINC000820280168 606419838 /nfs/dbraw/zinc/41/98/38/606419838.db2.gz AAQZFWQOLDAUEV-HNNXBMFYSA-N 1 0 383.399 2.944 20 0 GFADRO CC(C)(C)OC(=O)NC[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC000819939944 606422741 /nfs/dbraw/zinc/42/27/41/606422741.db2.gz LUDYXYULTIRKRO-YPMHNXCESA-N 1 0 378.502 2.711 20 0 GFADRO CC[C@@H]1Oc2cc([C@H](C)[NH2+]Cc3ccc(-c4nn[nH]n4)s3)ccc2NC1=O ZINC000821000924 606425664 /nfs/dbraw/zinc/42/56/64/606425664.db2.gz MADPQSBDLWDBIK-HZMBPMFUSA-N 1 0 384.465 2.889 20 0 GFADRO C[NH+](C)C1CCN(c2ccc(Nc3ncccc3-c3nn[nH]n3)cc2F)CC1 ZINC000821582880 606431920 /nfs/dbraw/zinc/43/19/20/606431920.db2.gz AVMJNSOCSIENRC-UHFFFAOYSA-N 1 0 382.447 2.675 20 0 GFADRO O[C@@H](COc1ccc(-c2nn[nH]n2)cc1)C[N@@H+]1CCCC[C@@H]1c1ccc(F)cc1 ZINC000823696743 606456159 /nfs/dbraw/zinc/45/61/59/606456159.db2.gz GYSUIPFJGHPKJB-UYAOXDASSA-N 1 0 397.454 2.973 20 0 GFADRO OCC[N@H+](CCc1ccccc1)Cc1ccc(-c2nn[nH]n2)cc1OC(F)F ZINC000823721726 606492096 /nfs/dbraw/zinc/49/20/96/606492096.db2.gz IEDNIECSFBTZEK-UHFFFAOYSA-N 1 0 389.406 2.505 20 0 GFADRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+]2CC[C@H](C)[C@H]2C)c1-c1nn[nH]n1 ZINC000822015763 606517874 /nfs/dbraw/zinc/51/78/74/606517874.db2.gz OFNXGBVTXGZEKL-GXTWGEPZSA-N 1 0 397.483 2.595 20 0 GFADRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cc(-c2nn[nH]n2)cs1 ZINC000821197116 606520150 /nfs/dbraw/zinc/52/01/50/606520150.db2.gz GGLAFRPNMRLPEW-INIZCTEOSA-N 1 0 396.520 2.912 20 0 GFADRO CC[C@H]1C[N@@H+]2CCCC[C@H]2CN1Cc1ccc(-c2nn[nH]n2)cc1OC(F)F ZINC000821002474 606524197 /nfs/dbraw/zinc/52/41/97/606524197.db2.gz XDZJDHHTKAVUBK-HOTGVXAUSA-N 1 0 392.454 2.917 20 0 GFADRO CCCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000821104636 606603889 /nfs/dbraw/zinc/60/38/89/606603889.db2.gz LDZMMLYGEQHTPN-ZWKOTPCHSA-N 1 0 385.516 2.661 20 0 GFADRO C[C@@H]1CC/C(=C/C(=O)N2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC000820678220 606617181 /nfs/dbraw/zinc/61/71/81/606617181.db2.gz TZFYIEDMQHHEDV-VVZNPABPSA-N 1 0 380.496 2.647 20 0 GFADRO CC(C)[C@@H](CNC(=O)c1c(F)cc(-c2nn[nH]n2)cc1F)[NH+]1CCC(C)CC1 ZINC000820722875 606669568 /nfs/dbraw/zinc/66/95/68/606669568.db2.gz QXHGBTWVRZOOKE-MRXNPFEDSA-N 1 0 392.454 2.631 20 0 GFADRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000821065302 606676747 /nfs/dbraw/zinc/67/67/47/606676747.db2.gz HZRFQYPHCNEQLL-CYBMUJFWSA-N 1 0 378.427 2.529 20 0 GFADRO O=C(Nc1ccc(C[NH+]2CCCC2)cc1)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000823323492 606694405 /nfs/dbraw/zinc/69/44/05/606694405.db2.gz QMYHJJFHYYKASG-UHFFFAOYSA-N 1 0 384.390 2.993 20 0 GFADRO C[C@]1(c2ccccc2)CC[N@@H+]([C@@H]2CCN(c3sccc3-c3nn[nH]n3)C2=O)C1 ZINC000820633371 606718117 /nfs/dbraw/zinc/71/81/17/606718117.db2.gz AUGYNMKZOIJWAM-UZLBHIALSA-N 1 0 394.504 2.697 20 0 GFADRO CC(C)(C)[N@H+](CC(=O)NCc1cccc(-c2nn[nH]n2)c1)Cc1ccc(F)cc1 ZINC000819914534 606794342 /nfs/dbraw/zinc/79/43/42/606794342.db2.gz VTSJBJGYQMKWIN-UHFFFAOYSA-N 1 0 396.470 2.923 20 0 GFADRO COc1ccc(OC)c([C@H]2CCC[N@@H+]2C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)c1 ZINC000821841169 606850391 /nfs/dbraw/zinc/85/03/91/606850391.db2.gz FAUMAZLRFIDSDI-RTBURBONSA-N 1 0 395.463 2.754 20 0 GFADRO C[C@H]1C[C@@H](NC(=S)Nc2ccccc2-c2nn[nH]n2)C[N@@H+]1Cc1ccccc1 ZINC000820656221 606860195 /nfs/dbraw/zinc/86/01/95/606860195.db2.gz FBNCLFKKVKFAFO-GOEBONIOSA-N 1 0 393.520 2.816 20 0 GFADRO O[C@H](C[NH+]1CCC(COc2ccccc2)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823675160 606888447 /nfs/dbraw/zinc/88/84/47/606888447.db2.gz VGQOQRYAKBKEMH-HXUWFJFHSA-N 1 0 379.464 2.691 20 0 GFADRO C[N@H+](C[C@H](O)c1ccc(-c2nn[nH]n2)cc1)[C@@H]1CCCN(c2ccccc2)C1 ZINC000821595023 606907633 /nfs/dbraw/zinc/90/76/33/606907633.db2.gz KNFQKQRKLMQLJL-UXHICEINSA-N 1 0 378.480 2.501 20 0 GFADRO CC(C)Oc1ccc(-c2nn[nH]n2)cc1NC(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000820151256 606915328 /nfs/dbraw/zinc/91/53/28/606915328.db2.gz FCJRGQRUZOGARP-OAHLLOKOSA-N 1 0 399.499 2.604 20 0 GFADRO CCc1nnc(NC[C@H](C)[N@@H+]2CCc3sccc3C2)c(-c2nn[nH]n2)c1CC ZINC000821535322 606920981 /nfs/dbraw/zinc/92/09/81/606920981.db2.gz HPODABHKAWPOSM-LBPRGKRZSA-N 1 0 398.540 2.702 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000820703537 606936101 /nfs/dbraw/zinc/93/61/01/606936101.db2.gz HDCARSFFAHLCSN-MRXNPFEDSA-N 1 0 382.512 2.983 20 0 GFADRO C[NH+](C)CCCOC1CCN(c2ccc(C(F)(F)F)cc2-c2nn[nH]n2)CC1 ZINC000821584917 606942264 /nfs/dbraw/zinc/94/22/64/606942264.db2.gz XWZWURNNMVWVHE-UHFFFAOYSA-N 1 0 398.433 2.823 20 0 GFADRO CN(C[C@H]1CC[N@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C1)C(=O)OC(C)(C)C ZINC000821596681 606970159 /nfs/dbraw/zinc/97/01/59/606970159.db2.gz RHCORZUGEQKVOH-CQSZACIVSA-N 1 0 390.463 2.695 20 0 GFADRO Clc1cccc(C2([NH2+]C[C@@H]3CNc4c(-c5nn[nH]n5)cnn4C3)CCCC2)c1 ZINC000822585530 607008665 /nfs/dbraw/zinc/00/86/65/607008665.db2.gz CJDZRWBMAMLFEO-ZDUSSCGKSA-N 1 0 398.902 2.817 20 0 GFADRO C[N@@H+]1CCC[C@H]2CN(c3c(-c4nn[nH]n4)cnc4c(F)ccc(F)c43)CC[C@H]21 ZINC000821625758 607031410 /nfs/dbraw/zinc/03/14/10/607031410.db2.gz VHYYTYGLMCVVKR-XHDPSFHLSA-N 1 0 385.422 2.614 20 0 GFADRO c1ccc(C[N@@H+]2CCC[C@@H]3CN(c4cccc(-c5nn[nH]n5)n4)CC[C@@H]32)cc1 ZINC000823780981 607033422 /nfs/dbraw/zinc/03/34/22/607033422.db2.gz XZQOIKUQSXKOSB-MJGOQNOKSA-N 1 0 375.480 2.753 20 0 GFADRO C[C@@H]([NH2+]C1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1)c1ccc2c(c1)COC2 ZINC000820410752 607047493 /nfs/dbraw/zinc/04/74/93/607047493.db2.gz GKWFXUBHNTWCBU-CQSZACIVSA-N 1 0 391.479 2.612 20 0 GFADRO CCOc1ccccc1[C@@H](C)[NH2+]C1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1 ZINC000821431049 607047991 /nfs/dbraw/zinc/04/79/91/607047991.db2.gz KLTXDIVJDNIZKE-OAHLLOKOSA-N 1 0 393.495 2.980 20 0 GFADRO CNC(=O)c1ccc(C[N@H+](Cc2cc(F)ccc2-c2nn[nH]n2)C2CC2)cc1 ZINC000821635362 607056868 /nfs/dbraw/zinc/05/68/68/607056868.db2.gz YVCGXDGPLXKCEY-UHFFFAOYSA-N 1 0 380.427 2.530 20 0 GFADRO C[C@H]([NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)c1cccc(N2CCOC2=O)c1 ZINC000820426666 607057153 /nfs/dbraw/zinc/05/71/53/607057153.db2.gz MEYGWKHXFRONDE-LBPRGKRZSA-N 1 0 382.399 2.813 20 0 GFADRO C[C@@H]([NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)c1ccc(N2CCCC2=O)cc1 ZINC000820426371 607058615 /nfs/dbraw/zinc/05/86/15/607058615.db2.gz IWTSXELKRBHROR-CYBMUJFWSA-N 1 0 380.427 2.983 20 0 GFADRO c1nc2ccccn2c1C[NH+]1CCC(Oc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000823762871 607065099 /nfs/dbraw/zinc/06/50/99/607065099.db2.gz VNSVXLJNFHMXEV-UHFFFAOYSA-N 1 0 375.436 2.558 20 0 GFADRO Fc1ccc(-c2nn[nH]n2)c(C[NH+]2CCC(OC[C@H]3CCCCO3)CC2)c1 ZINC000822758368 607072767 /nfs/dbraw/zinc/07/27/67/607072767.db2.gz MUWUTMGNZKIAKO-QGZVFWFLSA-N 1 0 375.448 2.556 20 0 GFADRO CC(C)CO[C@@H]1CC[N@H+](CCC(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)C1 ZINC000820096333 607089736 /nfs/dbraw/zinc/08/97/36/607089736.db2.gz ACELNWDIWZAWSM-CQSZACIVSA-N 1 0 392.891 2.596 20 0 GFADRO C[NH+](C)CCN(Cc1cccs1)c1nc(C(F)(F)F)ccc1-c1nn[nH]n1 ZINC000821587343 607114762 /nfs/dbraw/zinc/11/47/62/607114762.db2.gz SJKSBIRCWAJXAG-UHFFFAOYSA-N 1 0 397.430 2.910 20 0 GFADRO c1ccc2c(c1)COC21CC[NH+](CCOc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000823762129 607126114 /nfs/dbraw/zinc/12/61/14/607126114.db2.gz JHPHQBCWHWACEL-UHFFFAOYSA-N 1 0 377.448 2.767 20 0 GFADRO C[C@H](CNC(=O)Nc1ccc(-c2nn[nH]n2)cc1Cl)[NH+]1CCC(C)CC1 ZINC000820721741 607199863 /nfs/dbraw/zinc/19/98/63/607199863.db2.gz AHXDVLJLYIVMRS-GFCCVEGCSA-N 1 0 377.880 2.762 20 0 GFADRO Fc1ccc(-c2nn[nH]n2)cc1C[NH2+]Cc1c[nH]nc1-c1c(F)cccc1F ZINC000822761198 607228971 /nfs/dbraw/zinc/22/89/71/607228971.db2.gz BRUZGZXATRUTLY-UHFFFAOYSA-N 1 0 385.353 2.964 20 0 GFADRO Cc1ccc(F)cc1NC(=O)N(CC[NH+](C)C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000826289522 607780253 /nfs/dbraw/zinc/78/02/53/607780253.db2.gz DBULNPQPLPIJIU-UHFFFAOYSA-N 1 0 397.458 2.910 20 0 GFADRO C[N@H+](Cc1ccccc1)CC(C)(C)NC(=O)CCc1ccc(-c2nn[nH]n2)cc1 ZINC000825980484 607825058 /nfs/dbraw/zinc/82/50/58/607825058.db2.gz BCZASOXMRZYXPQ-UHFFFAOYSA-N 1 0 392.507 2.826 20 0 GFADRO O=S(=O)(CC[NH2+][C@H](c1ccccc1)C1CCC1)c1cccc(-c2nn[nH]n2)c1 ZINC000826485085 607830468 /nfs/dbraw/zinc/83/04/68/607830468.db2.gz BKOYLRILAABVHE-LJQANCHMSA-N 1 0 397.504 2.771 20 0 GFADRO CC[C@H]1Oc2cc([C@@H](C)[NH2+]Cc3ccccc3-c3nn[nH]n3)ccc2NC1=O ZINC000825219249 607909947 /nfs/dbraw/zinc/90/99/47/607909947.db2.gz IPGNPCRXHRWABV-SJKOYZFVSA-N 1 0 378.436 2.827 20 0 GFADRO CN(Cc1ccccc1)CC(C)(C)[NH2+]CCOc1ccc(-c2nn[nH]n2)cc1 ZINC000825980683 607957324 /nfs/dbraw/zinc/95/73/24/607957324.db2.gz GLLXGTSCWUICBG-UHFFFAOYSA-N 1 0 380.496 2.746 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1c(Cl)cc(-c2nn[nH]n2)cc1Cl ZINC000826431954 607964197 /nfs/dbraw/zinc/96/41/97/607964197.db2.gz OOOKBOQCBVMCKH-OLZOCXBDSA-N 1 0 381.267 2.530 20 0 GFADRO Fc1cc(-c2nn[nH]n2)ccc1C[NH2+]CCOc1cccc(C(F)(F)F)n1 ZINC000826371649 607977567 /nfs/dbraw/zinc/97/75/67/607977567.db2.gz OMIIBCOJFIEPKD-UHFFFAOYSA-N 1 0 382.321 2.588 20 0 GFADRO C[N@H+](Cc1cccc(-c2nn[nH]n2)c1)[C@H]1CCCN(c2ccccc2F)C1=O ZINC000825976473 608122257 /nfs/dbraw/zinc/12/22/57/608122257.db2.gz KIUYZGHCMOPRDY-SFHVURJKSA-N 1 0 380.427 2.633 20 0 GFADRO Cc1ccc([C@H]2CC[N@@H+]([C@@H](C)C(=O)Nc3ccccc3-c3nn[nH]n3)C2)cc1 ZINC000826286096 608126714 /nfs/dbraw/zinc/12/67/14/608126714.db2.gz RXVNQUSMPBLQSY-RDJZCZTQSA-N 1 0 376.464 2.992 20 0 GFADRO Cc1ccc([C@@H]2CC[N@@H+]([C@@H](C)C(=O)Nc3cccc(-c4nn[nH]n4)c3)C2)cc1 ZINC000826285939 608126876 /nfs/dbraw/zinc/12/68/76/608126876.db2.gz OJNGLUGHBNUUCQ-MAUKXSAKSA-N 1 0 376.464 2.992 20 0 GFADRO CC(C)(C)OC(=O)NC1(C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)CCC1 ZINC000824108971 608134217 /nfs/dbraw/zinc/13/42/17/608134217.db2.gz LWDPLOFNRWAVBE-UHFFFAOYSA-N 1 0 376.436 2.543 20 0 GFADRO O=C([C@H]1CC12CC[NH+](Cc1ccc(-c3nn[nH]n3)cc1F)CC2)N1CCCCC1 ZINC000826398548 608212474 /nfs/dbraw/zinc/21/24/74/608212474.db2.gz ZCLMTSTUWIWXLF-QGZVFWFLSA-N 1 0 398.486 2.620 20 0 GFADRO O=C(C=Cc1ccccc1-c1nn[nH]n1)OC[C@H]1CCC[N@@H+]1Cc1ccco1 ZINC000826402538 608249300 /nfs/dbraw/zinc/24/93/00/608249300.db2.gz WNLRCMVKHXYKPU-ZBTGYSDGSA-N 1 0 379.420 2.681 20 0 GFADRO C[C@@H]([NH2+]CCOc1ccc(-c2nn[nH]n2)cc1)c1cccc(N2CCCC2=O)c1 ZINC000824599082 608281373 /nfs/dbraw/zinc/28/13/73/608281373.db2.gz LZLWOSKLZXUHIG-OAHLLOKOSA-N 1 0 392.463 2.723 20 0 GFADRO COc1cc([C@@H](C)[NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)cc(OC)c1OC ZINC000826177514 608285552 /nfs/dbraw/zinc/28/55/52/608285552.db2.gz LMKNDJMOZNRFLQ-LLVKDONJSA-N 1 0 387.415 2.882 20 0 GFADRO Cc1nn(-c2ccccc2)c(C[N@@H+]2CCS[C@H](C(C)C)C2)c1-c1nn[nH]n1 ZINC000826331981 608315082 /nfs/dbraw/zinc/31/50/82/608315082.db2.gz GBVBDDCDXWEQOI-KRWDZBQOSA-N 1 0 383.525 2.934 20 0 GFADRO C[C@H](CC[NH+](C)C)NC(=O)NCc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000824400137 608351185 /nfs/dbraw/zinc/35/11/85/608351185.db2.gz AQMNWVXHWSBEMD-OAHLLOKOSA-N 1 0 393.495 2.673 20 0 GFADRO COc1cc(-c2nn[nH]n2)ccc1CN(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000826167699 608367152 /nfs/dbraw/zinc/36/71/52/608367152.db2.gz NTSDSHGHQVNYJL-GOSISDBHSA-N 1 0 392.507 2.829 20 0 GFADRO O=C(Nc1ccccc1O)C1CC[NH+](Cc2cccc(-c3nn[nH]n3)c2F)CC1 ZINC000826457699 608403303 /nfs/dbraw/zinc/40/33/03/608403303.db2.gz MDOHXSKRLLGURI-UHFFFAOYSA-N 1 0 396.426 2.562 20 0 GFADRO C[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)C[N@@H+]1Cc1cccc(-c2nn[nH]n2)c1F ZINC000824886437 608413013 /nfs/dbraw/zinc/41/30/13/608413013.db2.gz YZLUEQBFKLCVPZ-STQMWFEESA-N 1 0 390.463 2.741 20 0 GFADRO c1cn2c(C[NH2+]CCOc3ccc(-c4nn[nH]n4)cc3)c(C3CC3)nc2s1 ZINC000826525116 608428911 /nfs/dbraw/zinc/42/89/11/608428911.db2.gz XEDUDQSKFRIQSY-UHFFFAOYSA-N 1 0 381.465 2.622 20 0 GFADRO CC(=O)Nc1cccc([C@@H](C)[NH2+]CCCOc2cccc(-c3nn[nH]n3)c2)c1 ZINC000824004961 608432984 /nfs/dbraw/zinc/43/29/84/608432984.db2.gz HPWLHMBJFYNRNZ-CQSZACIVSA-N 1 0 380.452 2.945 20 0 GFADRO Cc1ccc([C@H](C)[NH2+]CCS(=O)(=O)c2cccc(-c3nn[nH]n3)c2)cc1C ZINC000826283134 608443037 /nfs/dbraw/zinc/44/30/37/608443037.db2.gz LGNPLGUGDKDQPD-HNNXBMFYSA-N 1 0 385.493 2.608 20 0 GFADRO C[C@@H]([NH2+]CC(=O)Nc1ccc(-c2nn[nH]n2)cc1)c1cccc(OC(F)F)c1 ZINC000824564111 608443896 /nfs/dbraw/zinc/44/38/96/608443896.db2.gz RRXDBOQVSXYKOB-LLVKDONJSA-N 1 0 388.378 2.757 20 0 GFADRO CC(C)Oc1cccc([C@@H](C)[NH2+]CC(=O)NCc2cccc(-c3nn[nH]n3)c2)c1 ZINC000824334266 608454281 /nfs/dbraw/zinc/45/42/81/608454281.db2.gz TYPCHVBMGDNPHN-OAHLLOKOSA-N 1 0 394.479 2.621 20 0 GFADRO C[C@@H]([NH2+]CC(=O)N(Cc1ccccc1)C1CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824555111 608459508 /nfs/dbraw/zinc/45/95/08/608459508.db2.gz USSAUKNBYRULOZ-OAHLLOKOSA-N 1 0 376.464 2.709 20 0 GFADRO Cc1cc(C)c(CCNC(=O)C[NH2+][C@H](C)c2ccc(-c3nn[nH]n3)cc2)c(C)c1 ZINC000826263394 608461596 /nfs/dbraw/zinc/46/15/96/608461596.db2.gz YVRSBAJUTKENDX-QGZVFWFLSA-N 1 0 392.507 2.801 20 0 GFADRO COc1ccccc1[C@H](C)N(C)C(=O)C[NH2+][C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000826219108 608465990 /nfs/dbraw/zinc/46/59/90/608465990.db2.gz TUMVUIFVBWWWBW-GJZGRUSLSA-N 1 0 394.479 2.746 20 0 GFADRO C[C@@H]([NH2+]C[C@@H](O)COc1ccc(-c2nn[nH]n2)cc1)C(C)(C)c1ccccc1 ZINC000824572025 608476970 /nfs/dbraw/zinc/47/69/70/608476970.db2.gz SEYBUJMCAHBSJR-CRAIPNDOSA-N 1 0 381.480 2.562 20 0 GFADRO O=C1OCCN1c1cccc(C[NH2+][C@@H]2CCCc3cc(-c4nn[nH]n4)ccc32)c1 ZINC000826483088 608504081 /nfs/dbraw/zinc/50/40/81/608504081.db2.gz AHYAKRNAKHJQOZ-LJQANCHMSA-N 1 0 390.447 2.991 20 0 GFADRO c1ccc(-c2cccc(C[NH+]3CCN(c4ccc(-c5nn[nH]n5)cn4)CC3)c2)nc1 ZINC000826519343 608517900 /nfs/dbraw/zinc/51/79/00/608517900.db2.gz UZNUZVSKRATZNA-UHFFFAOYSA-N 1 0 398.474 2.646 20 0 GFADRO CC(C)(C)OC(=O)N1CC(C[NH2+][C@H]2CCCc3cc(-c4nn[nH]n4)ccc32)C1 ZINC000824104817 608525775 /nfs/dbraw/zinc/52/57/75/608525775.db2.gz YPSCMKNRNFMTBQ-KRWDZBQOSA-N 1 0 384.484 2.701 20 0 GFADRO O=C(C[NH2+]C1(c2cccc(-c3nn[nH]n3)c2)CC1)Nc1ccc(F)c(Cl)c1 ZINC000826412136 608529755 /nfs/dbraw/zinc/52/97/55/608529755.db2.gz CPGIZZUWLXXURN-UHFFFAOYSA-N 1 0 386.818 2.877 20 0 GFADRO O[C@@H](C[NH2+][C@@H](c1ccccc1)C1CCOCC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000826502890 608535751 /nfs/dbraw/zinc/53/57/51/608535751.db2.gz MDWRTRLUZFPGSK-PMACEKPBSA-N 1 0 379.464 2.658 20 0 GFADRO COC[C@H]([NH2+]CCCOc1cccc(-c2nn[nH]n2)c1)c1ccc(F)c(F)c1 ZINC000826150695 608552012 /nfs/dbraw/zinc/55/20/12/608552012.db2.gz JWDBQMYPKDGCTC-SFHVURJKSA-N 1 0 389.406 2.891 20 0 GFADRO C[C@H]([NH2+]CCCOc1cccc(-c2nn[nH]n2)c1)c1ccc(-n2ccnn2)cc1 ZINC000824592288 608559566 /nfs/dbraw/zinc/55/95/66/608559566.db2.gz LNIBGDGLUWVBKM-HNNXBMFYSA-N 1 0 390.451 2.567 20 0 GFADRO C[C@@H]([NH2+]CCCOc1cccc(-c2nn[nH]n2)c1)c1ccc([S@](C)=O)cc1 ZINC000824591631 608579331 /nfs/dbraw/zinc/57/93/31/608579331.db2.gz JLQLJLODSZKITH-ASHKIFAZSA-N 1 0 385.493 2.724 20 0 GFADRO COc1cc(C[NH+]2CCC(Oc3cccc(-c4nn[nH]n4)c3)CC2)cc(OC)c1 ZINC000826179216 608603227 /nfs/dbraw/zinc/60/32/27/608603227.db2.gz DXELSHVUSAVADD-UHFFFAOYSA-N 1 0 395.463 2.927 20 0 GFADRO CC(C)(C)OC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cc(-c2nn[nH]n2)cs1 ZINC000824107996 608638474 /nfs/dbraw/zinc/63/84/74/608638474.db2.gz ANNVZKDDIWDGPU-ZDUSSCGKSA-N 1 0 378.502 2.807 20 0 GFADRO Cc1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3cccc(-c4nn[nH]n4)c3F)C2)nc1 ZINC000826290691 608651686 /nfs/dbraw/zinc/65/16/86/608651686.db2.gz VMEWVVCNFRCEDH-OAHLLOKOSA-N 1 0 395.442 2.560 20 0 GFADRO COc1ccc(C[NH+]2CCC(Oc3ccc(-c4nn[nH]n4)cc3)CC2)cc1OC ZINC000826194685 608681254 /nfs/dbraw/zinc/68/12/54/608681254.db2.gz SRBXMQMPHLLFES-UHFFFAOYSA-N 1 0 395.463 2.927 20 0 GFADRO C[C@H]1COCC[N@H+](Cc2cccc(OCc3cccc(-c4nn[nH]n4)c3)c2)C1 ZINC000825006573 608711553 /nfs/dbraw/zinc/71/15/53/608711553.db2.gz LQGDKLPLQGYMAE-MRXNPFEDSA-N 1 0 379.464 2.914 20 0 GFADRO Cn1cc(C[NH2+]CCSCc2ccccc2-c2nn[nH]n2)c(C(C)(C)C)n1 ZINC000826361813 608760697 /nfs/dbraw/zinc/76/06/97/608760697.db2.gz QGAWWOOZIFTHKD-UHFFFAOYSA-N 1 0 385.541 2.921 20 0 GFADRO C[C@@H]([NH2+]Cc1ccccc1N1CCOCC1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824624657 609138640 /nfs/dbraw/zinc/13/86/40/609138640.db2.gz BBRKURVHTBZPCZ-CQSZACIVSA-N 1 0 382.443 2.693 20 0 GFADRO C[C@@H]([NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824545994 609142152 /nfs/dbraw/zinc/14/21/52/609142152.db2.gz FZKHCEMKIHMNSR-YPMHNXCESA-N 1 0 376.436 2.666 20 0 GFADRO C[C@@H]([NH2+][C@]1(CO)CCCN(Cc2ccccc2)C1)c1cccc(-c2nn[nH]n2)c1 ZINC000824538340 609235163 /nfs/dbraw/zinc/23/51/63/609235163.db2.gz IAXFKGCQSGBIID-VGOFRKELSA-N 1 0 392.507 2.544 20 0 GFADRO COc1ccccc1NC(=O)C[C@@H](C)[NH2+]C1(c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000826220044 609250669 /nfs/dbraw/zinc/25/06/69/609250669.db2.gz AIEFYPYDFQKJPW-CQSZACIVSA-N 1 0 392.463 2.871 20 0 GFADRO C[C@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)cn1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824655881 609251608 /nfs/dbraw/zinc/25/16/08/609251608.db2.gz GJEJZUICOIHDES-XJKSGUPXSA-N 1 0 396.474 2.714 20 0 GFADRO CCS(=O)(=O)c1ccc(C[NH2+][C@H](C)c2ccc(-c3nn[nH]n3)c(F)c2)cc1 ZINC000825669447 609256384 /nfs/dbraw/zinc/25/63/84/609256384.db2.gz XYKAIPLVPITTMP-GFCCVEGCSA-N 1 0 389.456 2.650 20 0 GFADRO C[C@@H](NC(=S)Nc1ccccc1-c1nn[nH]n1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000824521225 609273694 /nfs/dbraw/zinc/27/36/94/609273694.db2.gz IGJGPCFVRNIKNR-ZIAGYGMSSA-N 1 0 385.541 2.806 20 0 GFADRO C[C@@H]([NH2+]Cc1ccc(CN2CCCC2=O)cc1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824613885 609327431 /nfs/dbraw/zinc/32/74/31/609327431.db2.gz XMLQSPUDZNDABG-CQSZACIVSA-N 1 0 394.454 2.979 20 0 GFADRO COC1CCN(C(C)(C)C[NH2+][C@@H](C)c2ccc(-c3nn[nH]n3)cc2F)CC1 ZINC000826147411 609334828 /nfs/dbraw/zinc/33/48/28/609334828.db2.gz WWLKHPYUTKSXDB-ZDUSSCGKSA-N 1 0 376.480 2.546 20 0 GFADRO CC(C)[C@@H]1OCCC[C@H]1C[NH2+]Cc1cn(C)nc1-c1ccc(-c2nn[nH]n2)cc1 ZINC000824229500 609340427 /nfs/dbraw/zinc/34/04/27/609340427.db2.gz RNUJLGYRVQBCQL-PXNSSMCTSA-N 1 0 395.511 2.808 20 0 GFADRO COc1cc(C)cc(C[NH2+]Cc2cn(C)nc2-c2ccc(-c3nn[nH]n3)cc2)c1 ZINC000826177911 609342869 /nfs/dbraw/zinc/34/28/69/609342869.db2.gz APBQYMYVPSLQBT-UHFFFAOYSA-N 1 0 389.463 2.874 20 0 GFADRO Brc1cc(-c2nn[nH]n2)ccc1CN1CC[C@H]([NH+]2CCCCC2)C1 ZINC000823821514 609360544 /nfs/dbraw/zinc/36/05/44/609360544.db2.gz VTYATGKUXYNRBH-HNNXBMFYSA-N 1 0 391.317 2.689 20 0 GFADRO CC[C@@H](O)[C@H]1CCCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1Br ZINC000825154855 609362092 /nfs/dbraw/zinc/36/20/92/609362092.db2.gz UUCHYVNRDVIPTA-HUUCEWRRSA-N 1 0 380.290 2.755 20 0 GFADRO CCC(CC)(CC(=O)OC)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1Br ZINC000825089538 609366246 /nfs/dbraw/zinc/36/62/46/609366246.db2.gz INBVIOVZMIQERI-UHFFFAOYSA-N 1 0 396.289 2.841 20 0 GFADRO O[C@@H]1CC[N@H+](Cc2ccccc2CNc2ccc(Cl)cc2-c2nn[nH]n2)C1 ZINC000826507533 609388303 /nfs/dbraw/zinc/38/83/03/609388303.db2.gz QFVPVKTVJNSUIE-MRXNPFEDSA-N 1 0 384.871 2.699 20 0 GFADRO CN(CCC[NH+](C)C)C(=O)c1ccccc1Oc1ccccc1-c1nn[nH]n1 ZINC000825860548 609397369 /nfs/dbraw/zinc/39/73/69/609397369.db2.gz RHJDGTXCTBMCFZ-UHFFFAOYSA-N 1 0 380.452 2.683 20 0 GFADRO C[C@@H](CCc1ccccc1)[NH2+][C@@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000824406581 609410411 /nfs/dbraw/zinc/41/04/11/609410411.db2.gz NHYARGTUANETHZ-OXJNMPFZSA-N 1 0 390.491 2.973 20 0 GFADRO O=C1[C@@H]([NH2+][C@@H]2CCc3ccccc3C2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476298 609413663 /nfs/dbraw/zinc/41/36/63/609413663.db2.gz FARAUPGHTUBHBS-QUCCMNQESA-N 1 0 388.475 2.509 20 0 GFADRO C[C@@H]1CC[C@]2(CC[N@@H+]([C@H]3CCCN(c4ccc(-c5nn[nH]n5)cc4)C3=O)C2)C1 ZINC000824919267 609433291 /nfs/dbraw/zinc/43/32/91/609433291.db2.gz SPPJIVQKYZVOTB-YWMUFLPLSA-N 1 0 380.496 2.874 20 0 GFADRO C[C@H]([NH2+]CCOc1ccc(-c2nn[nH]n2)cc1)c1cccc(-n2ccnc2)c1 ZINC000824600392 609441128 /nfs/dbraw/zinc/44/11/28/609441128.db2.gz ZSQRCEHFVTZEDA-HNNXBMFYSA-N 1 0 375.436 2.782 20 0 GFADRO c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H](Nc4cnccc4-c4nn[nH]n4)[C@H]3C2)cc1 ZINC000826521518 609595137 /nfs/dbraw/zinc/59/51/37/609595137.db2.gz PVUIUOGLGQFSIO-YTQUADARSA-N 1 0 375.480 2.974 20 0 GFADRO c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H](Nc4cccc(-c5nn[nH]n5)n4)[C@@H]3C2)cc1 ZINC000826521167 609595248 /nfs/dbraw/zinc/59/52/48/609595248.db2.gz CFCVDJZSEFCKHP-KSZLIROESA-N 1 0 375.480 2.974 20 0 GFADRO Cc1cc(C[NH2+][C@@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)cnc1Cl ZINC000826266939 609601607 /nfs/dbraw/zinc/60/16/07/609601607.db2.gz IORXPNXQLHQGMV-MRXNPFEDSA-N 1 0 397.870 2.509 20 0 GFADRO O=C1[C@H]([NH2+]Cc2ccc3ncccc3c2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826477266 609602070 /nfs/dbraw/zinc/60/20/70/609602070.db2.gz YRPAQARZSGQFSL-HXUWFJFHSA-N 1 0 399.458 2.700 20 0 GFADRO CCSc1nnc(NC(=O)c2ccc(CN3CC[NH+](C)CC3)cc2)s1 ZINC000507267845 650457805 /nfs/dbraw/zinc/45/78/05/650457805.db2.gz NNVOMEWDKSFURN-UHFFFAOYSA-N 1 0 377.539 2.650 20 0 GFADRO C[NH+](C)CCn1ccc(NC(=O)N[C@H]2C[C@H]2c2cccc(Br)c2)n1 ZINC000525228730 650652172 /nfs/dbraw/zinc/65/21/72/650652172.db2.gz VGQQJSLBVHOLGG-GJZGRUSLSA-N 1 0 392.301 2.885 20 0 GFADRO CCN(CCC[NH2+][C@H](c1nc(Br)cs1)C1CC1)S(C)(=O)=O ZINC000817574608 660200950 /nfs/dbraw/zinc/20/09/50/660200950.db2.gz BPDVKXDMVXFBRT-LBPRGKRZSA-N 1 0 396.376 2.618 20 0 GFADRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)c1ccnc(Cl)c1I ZINC000817677837 660205475 /nfs/dbraw/zinc/20/54/75/660205475.db2.gz HOGPYLLSOAORDD-SECBINFHSA-N 1 0 393.656 2.506 20 0 GFADRO CC(C)N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)NC(C)(C)CCC[NH3+])c1 ZINC000818600934 660229652 /nfs/dbraw/zinc/22/96/52/660229652.db2.gz IZBFQZAXZTVJEX-UHFFFAOYSA-N 1 0 389.949 2.616 20 0 GFADRO [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)c1sccc1SC(F)F ZINC000818585653 660229059 /nfs/dbraw/zinc/22/90/59/660229059.db2.gz KRWXRDDGLPXVHL-SNVBAGLBSA-N 1 0 377.482 2.523 20 0 GFADRO CCCS(=O)(=O)N1CCC([NH2+]C[C@H](O)c2ccc(Cl)cc2Cl)CC1 ZINC000818955777 660238182 /nfs/dbraw/zinc/23/81/82/660238182.db2.gz DOODPZUKPSUQLB-INIZCTEOSA-N 1 0 395.352 2.821 20 0 GFADRO Cc1ccccc1[C@H](O)C[NH2+]CCNC(=O)c1ccc(Br)cc1 ZINC000818972540 660239684 /nfs/dbraw/zinc/23/96/84/660239684.db2.gz KFGDHPQWVDQELS-QGZVFWFLSA-N 1 0 377.282 2.811 20 0 GFADRO O=S(=O)(CC[NH2+]C[C@@H](O)c1ccc(F)c(F)c1)c1ccc(Cl)cc1 ZINC000818973940 660239795 /nfs/dbraw/zinc/23/97/95/660239795.db2.gz ZJRQEAQAWWHBBU-MRXNPFEDSA-N 1 0 375.824 2.715 20 0 GFADRO O=S(=O)(CCC[NH2+]C[C@@H](O)c1ccccc1Br)c1ccccc1 ZINC000818981386 660241340 /nfs/dbraw/zinc/24/13/40/660241340.db2.gz SKCXPMXOVCZSJO-QGZVFWFLSA-N 1 0 398.322 2.936 20 0 GFADRO CC(C)(C)OC(=O)NC[C@](C)(O)C[NH2+]Cc1sccc1Br ZINC000818984835 660241564 /nfs/dbraw/zinc/24/15/64/660241564.db2.gz IDJDZFQKZVJJHO-CQSZACIVSA-N 1 0 379.320 2.876 20 0 GFADRO O=C(NCCC[NH2+]C[C@@H](O)c1ccccc1Br)c1ccccc1 ZINC000818988517 660241980 /nfs/dbraw/zinc/24/19/80/660241980.db2.gz ARJMQAMVWQSPBI-QGZVFWFLSA-N 1 0 377.282 2.892 20 0 GFADRO Cc1ccc([C@H](O)C[NH2+]CCNC(=O)c2cccc(Br)c2)cc1 ZINC000818990421 660242254 /nfs/dbraw/zinc/24/22/54/660242254.db2.gz XHLSSVWODMRLMS-QGZVFWFLSA-N 1 0 377.282 2.811 20 0 GFADRO COC(=O)N1CCC[C@H]([NH2+]CCC(=O)Nc2ccc(Br)cc2)C1 ZINC000819001926 660242878 /nfs/dbraw/zinc/24/28/78/660242878.db2.gz GIUYEYBYBMPPNU-AWEZNQCLSA-N 1 0 384.274 2.598 20 0 GFADRO COC(=O)N1CCC[C@@H]([NH2+]CCC(=O)Nc2ccc(Br)cc2)C1 ZINC000819001928 660242900 /nfs/dbraw/zinc/24/29/00/660242900.db2.gz GIUYEYBYBMPPNU-CQSZACIVSA-N 1 0 384.274 2.598 20 0 GFADRO CN(C[C@H](O)C[NH2+]CCc1ccc(Br)cc1)C(=O)OC(C)(C)C ZINC000819081561 660245858 /nfs/dbraw/zinc/24/58/58/660245858.db2.gz MRYWVTUOEPZIJX-OAHLLOKOSA-N 1 0 387.318 2.809 20 0 GFADRO CNC(=O)C1CCC([NH2+]C[C@@](C)(O)c2ccc(Br)cc2F)CC1 ZINC000819229211 660251007 /nfs/dbraw/zinc/25/10/07/660251007.db2.gz KUXCZSZTFSZYII-FWXSHLFISA-N 1 0 387.293 2.690 20 0 GFADRO CC(C)(C)OC(=O)NC[C@@](C)(O)C[NH2+]CCc1nc(C(F)(F)F)cs1 ZINC000819123951 660247249 /nfs/dbraw/zinc/24/72/49/660247249.db2.gz HRQQOFBWXMUPKV-AWEZNQCLSA-N 1 0 383.436 2.570 20 0 GFADRO CN(C)[C@@]1(C[NH2+]C[C@@H](O)c2ccc(F)c(Br)c2)CCSC1 ZINC000819129914 660247422 /nfs/dbraw/zinc/24/74/22/660247422.db2.gz DDSWXWAKPSZVNQ-HUUCEWRRSA-N 1 0 377.323 2.649 20 0 GFADRO CC(C)(C[NH2+]C[C@](C)(O)c1ccc(Br)cc1Cl)S(C)(=O)=O ZINC000819133461 660247599 /nfs/dbraw/zinc/24/75/99/660247599.db2.gz NWMXVHKAZBFJFN-AWEZNQCLSA-N 1 0 398.750 2.723 20 0 GFADRO C[C@](O)(C[NH2+]Cc1ccc(C(N)=O)nc1)c1ccc(Br)cc1Cl ZINC000819143353 660247835 /nfs/dbraw/zinc/24/78/35/660247835.db2.gz BNJXMQKZEIWBMD-INIZCTEOSA-N 1 0 398.688 2.594 20 0 GFADRO O=C1NCCc2ccc(C[NH2+]C[C@@H](O)c3cccc(Br)c3)cc21 ZINC000819227050 660251060 /nfs/dbraw/zinc/25/10/60/660251060.db2.gz AZXIPZRABJPDQE-QGZVFWFLSA-N 1 0 375.266 2.558 20 0 GFADRO O=C(C1CCCC1)N1CC[C@H]([NH2+]C[C@H](O)c2cccc(Br)c2)C1 ZINC000819163918 660248535 /nfs/dbraw/zinc/24/85/35/660248535.db2.gz ODQKFFYQXCURRF-IRXDYDNUSA-N 1 0 381.314 2.863 20 0 GFADRO Cc1ncc(CC[NH2+]CCS(=O)(=O)c2cccc(Br)c2)s1 ZINC000819180847 660249084 /nfs/dbraw/zinc/24/90/84/660249084.db2.gz ZPPGRTKGBZMEKU-UHFFFAOYSA-N 1 0 389.340 2.820 20 0 GFADRO O[C@@H](C[NH2+][C@H]1CCN(c2cccc(Br)c2)C1)c1ccc(F)cn1 ZINC000819270019 660253120 /nfs/dbraw/zinc/25/31/20/660253120.db2.gz RZHCLHJKXMWLDZ-YOEHRIQHSA-N 1 0 380.261 2.885 20 0 GFADRO CC(=O)Nc1ccc(C[NH2+]C[C@@](C)(O)c2ccc(Br)cc2F)cn1 ZINC000819271441 660253155 /nfs/dbraw/zinc/25/31/55/660253155.db2.gz BLTSLZAIFZMZJL-QGZVFWFLSA-N 1 0 396.260 2.939 20 0 GFADRO Cc1ccc([C@@H](O)C[NH2+]CCCNS(=O)(=O)c2ccccc2Cl)cc1 ZINC000819284110 660253546 /nfs/dbraw/zinc/25/35/46/660253546.db2.gz OZGIIALCRXEJER-KRWDZBQOSA-N 1 0 382.913 2.640 20 0 GFADRO Cc1cc(Br)cc(C)c1N1CCC[C@@H]([NH2+]CCS(C)(=O)=O)C1 ZINC000819305179 660254314 /nfs/dbraw/zinc/25/43/14/660254314.db2.gz HHRSTOYEBYWWEQ-OAHLLOKOSA-N 1 0 389.359 2.669 20 0 GFADRO COCC[C@H](COC)[NH2+]C[C@@](C)(O)c1ccc(Br)cc1Cl ZINC000819323645 660254948 /nfs/dbraw/zinc/25/49/48/660254948.db2.gz NUWDMZNWCYMQHV-IUODEOHRSA-N 1 0 380.710 2.951 20 0 GFADRO Cc1cc(C[NH2+]C[C@H](O)c2cccc(Br)c2)nc(N2CCCC2)n1 ZINC000819328638 660255078 /nfs/dbraw/zinc/25/50/78/660255078.db2.gz HLNZEAMJESOUAP-KRWDZBQOSA-N 1 0 391.313 2.971 20 0 GFADRO C[C@](O)(C[NH2+][C@@H]1C[C@H]2CCCCN2C1=O)c1ccc(Br)cc1F ZINC000819358410 660256678 /nfs/dbraw/zinc/25/66/78/660256678.db2.gz GYTYUZITZXPXRX-VMGRFDJRSA-N 1 0 385.277 2.539 20 0 GFADRO CN(CC[NH+](C)C)c1ccc(Br)cc1NC(=O)/C=C\[C@H]1CCOC1 ZINC000819736207 660268384 /nfs/dbraw/zinc/26/83/84/660268384.db2.gz FBWLJRQFGYLLSD-ZBKLQPJUSA-N 1 0 396.329 2.978 20 0 GFADRO C[N@@H+]1C[C@@H]2CCCN(S(=O)(=O)/C=C/c3cccc(Br)c3)[C@@H]2C1 ZINC000819913283 660274706 /nfs/dbraw/zinc/27/47/06/660274706.db2.gz DSNQZZQBRGHQBI-RXQWTSATSA-N 1 0 385.327 2.776 20 0 GFADRO C[C@H](C(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1)c1ccc(I)cc1 ZINC000820341022 660289793 /nfs/dbraw/zinc/28/97/93/660289793.db2.gz ALJJZFBHIQKKAG-SUMWQHHRSA-N 1 0 398.288 2.949 20 0 GFADRO C[C@H](C[NH2+][C@@H](C)c1ccc(S(=O)(=O)CC(N)=O)cc1)Cc1cccs1 ZINC000820812459 660307404 /nfs/dbraw/zinc/30/74/04/660307404.db2.gz LVKOXVYEBYYWHN-KBPBESRZSA-N 1 0 380.535 2.537 20 0 GFADRO CC[C@H](C)[N@H+](C)CCNS(=O)(=O)c1ccc2c(c1)CC(Cl)(Cl)C2=O ZINC000820790625 660306212 /nfs/dbraw/zinc/30/62/12/660306212.db2.gz PFRYNCKICWWTEQ-NSHDSACASA-N 1 0 393.336 2.608 20 0 GFADRO CC(C)c1ncc(Br)c(C(=O)N2CC[N@@H+](C3CC3)C[C@H](C)C2)n1 ZINC000820873775 660309064 /nfs/dbraw/zinc/30/90/64/660309064.db2.gz HHICXMCRYYSOCB-LBPRGKRZSA-N 1 0 381.318 2.919 20 0 GFADRO CC[NH+]1CCN(CC(C)(C)NC(=O)c2cc(Br)cc(OC)c2)CC1 ZINC000822046270 660339361 /nfs/dbraw/zinc/33/93/61/660339361.db2.gz CWBCOPQVYWXQSS-UHFFFAOYSA-N 1 0 398.345 2.604 20 0 GFADRO Cn1c(C=O)ccc1C(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000822840657 660355721 /nfs/dbraw/zinc/35/57/21/660355721.db2.gz NEODHRUIQVANJL-UHFFFAOYSA-N 1 0 392.297 2.804 20 0 GFADRO Brc1cc(Cc2noc([C@@H]3CCC[NH2+]C3)n2)cc2c1OCCO2 ZINC000822946898 660358642 /nfs/dbraw/zinc/35/86/42/660358642.db2.gz JUSDUQYJFYCSLC-LLVKDONJSA-N 1 0 380.242 2.661 20 0 GFADRO C[C@@H](CNC(=O)[C@@]1(C)CC1(Br)Br)[NH+]1CCCCC1 ZINC000822952724 660358780 /nfs/dbraw/zinc/35/87/80/660358780.db2.gz ANSRPYXBDOYFAM-CMPLNLGQSA-N 1 0 382.140 2.873 20 0 GFADRO FC(F)Oc1cc(Br)ccc1-c1noc(C[C@@H]2COCC[NH2+]2)n1 ZINC000822980147 660359242 /nfs/dbraw/zinc/35/92/42/660359242.db2.gz DLEGFEZTNIFWPP-SECBINFHSA-N 1 0 390.184 2.631 20 0 GFADRO C[C@H]1[NH2+]CC[C@H]1c1nc(Cc2cccc(F)c2I)no1 ZINC000822981057 660359316 /nfs/dbraw/zinc/35/93/16/660359316.db2.gz USLNWFPVCVNLLR-PSASIEDQSA-N 1 0 387.196 2.870 20 0 GFADRO C[C@H](c1noc(-c2cn(CCCC[NH3+])nn2)n1)c1ccc(Br)cc1 ZINC000822990575 660359536 /nfs/dbraw/zinc/35/95/36/660359536.db2.gz GVMWZRZYUFAROU-NSHDSACASA-N 1 0 391.273 2.981 20 0 GFADRO O=C(Nc1cccc(C[N@H+]2CC[C@@H](O)C2)c1)c1csc(Br)n1 ZINC000823064552 660360717 /nfs/dbraw/zinc/36/07/17/660360717.db2.gz YVWSEZRXLNVEMS-GFCCVEGCSA-N 1 0 382.283 2.725 20 0 GFADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)C(F)(F)c1ccccc1Br ZINC000823112460 660362186 /nfs/dbraw/zinc/36/21/86/660362186.db2.gz ISXKNKOSFUEHGA-LBPRGKRZSA-N 1 0 391.256 2.768 20 0 GFADRO COC[C@]1(c2nc(C3(c4cccc(Br)c4)CC3)no2)CC[NH2+]C1 ZINC000823171860 660363871 /nfs/dbraw/zinc/36/38/71/660363871.db2.gz CIJHYJVFPRUWLV-INIZCTEOSA-N 1 0 378.270 2.790 20 0 GFADRO Cc1ccc(NC(=O)N2CCO[C@H](CCC[NH+](C)C)C2)nc1Br ZINC000823283133 660367361 /nfs/dbraw/zinc/36/73/61/660367361.db2.gz MYDHTNRGXOZXSV-CYBMUJFWSA-N 1 0 385.306 2.727 20 0 GFADRO CC(C)[N@H+](CCS(C)(=O)=O)C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000823470735 660373080 /nfs/dbraw/zinc/37/30/80/660373080.db2.gz MWBZQGBJKLFQDY-HZPDHXFCSA-N 1 0 376.563 2.777 20 0 GFADRO C[C@H]1C[C@@H](C[NH2+]CCS(=O)(=O)C(C)(C)C)CCN1C(=O)OC(C)(C)C ZINC000823867063 660382063 /nfs/dbraw/zinc/38/20/63/660382063.db2.gz YBGYIDMRHILSKN-GJZGRUSLSA-N 1 0 376.563 2.825 20 0 GFADRO C[C@@H]1C[C@H](C[NH2+]C(C)(C)CCS(C)(=O)=O)CCN1C(=O)OC(C)(C)C ZINC000823949568 660383199 /nfs/dbraw/zinc/38/31/99/660383199.db2.gz MANPXQOPZZMSPW-HUUCEWRRSA-N 1 0 376.563 2.825 20 0 GFADRO O=C(/C=C\c1ccc(I)o1)N[C@H]1C[C@@H]([NH+]2CCCC2)C1 ZINC000824096153 660385394 /nfs/dbraw/zinc/38/53/94/660385394.db2.gz YGLQMLICLYSWBD-STNZKUDTSA-N 1 0 386.233 2.640 20 0 GFADRO C[N@@H+]1C[C@@H]2CCCN(C(=O)Nc3ccc([S@](=O)C(F)(F)F)cc3)[C@@H]2C1 ZINC000824225538 660387390 /nfs/dbraw/zinc/38/73/90/660387390.db2.gz PXPKWNIXQZYFSN-ZLJFPDPSSA-N 1 0 375.416 2.872 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)C[C@@H]2C(=O)Nc3c2cccc3Br)C1 ZINC000824774477 660401575 /nfs/dbraw/zinc/40/15/75/660401575.db2.gz XELLKWXPKYRALC-AAEUAGOBSA-N 1 0 394.313 2.864 20 0 GFADRO CCN(C(=O)c1cc(Br)cnc1Br)[C@H]1CC[N@H+](C)C1 ZINC000824841246 660403290 /nfs/dbraw/zinc/40/32/90/660403290.db2.gz HYJTVMUMWLAOEH-JTQLQIEISA-N 1 0 391.107 2.773 20 0 GFADRO COc1ccc(C[C@H](CO)C[NH2+]Cc2ccc(F)nc2)cc1Br ZINC000825073677 660409565 /nfs/dbraw/zinc/40/95/65/660409565.db2.gz YFDOPIRIDXMQBF-AWEZNQCLSA-N 1 0 383.261 2.933 20 0 GFADRO Cn1nc(C(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2)cc1Br ZINC000825477029 660429362 /nfs/dbraw/zinc/42/93/62/660429362.db2.gz HLSFBWLLEAOSCU-UHFFFAOYSA-N 1 0 383.265 2.526 20 0 GFADRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)c1cc(Cl)nc(C(F)(F)F)c1 ZINC000826545079 660456579 /nfs/dbraw/zinc/45/65/79/660456579.db2.gz WQVSTKNXFDBCFV-GFCCVEGCSA-N 1 0 379.810 2.937 20 0 GFADRO Cc1cc(C(F)(F)C(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)cnc1Cl ZINC000826695124 660461663 /nfs/dbraw/zinc/46/16/63/660461663.db2.gz MDQMPOCKMOMILO-AWEZNQCLSA-N 1 0 375.847 2.704 20 0 GFADRO COc1cc(Br)cc(C(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)c1 ZINC000826702189 660461910 /nfs/dbraw/zinc/46/19/10/660461910.db2.gz FCHSNXKKNXXZNJ-HNNXBMFYSA-N 1 0 385.302 2.641 20 0 GFADRO C[C@]1(C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)CC1(Br)Br ZINC000826769412 660464289 /nfs/dbraw/zinc/46/42/89/660464289.db2.gz LPUWXXODKHFHLJ-DGCLKSJQSA-N 1 0 394.151 2.969 20 0 GFADRO C[N@@H+]1CC[C@H]2CN(C(=O)c3ccc4cncc(Br)c4n3)CC[C@H]21 ZINC000827219391 660485084 /nfs/dbraw/zinc/48/50/84/660485084.db2.gz NXHSFOOVHFVZDV-SWLSCSKDSA-N 1 0 375.270 2.559 20 0 GFADRO C[C@H](Oc1ccc(F)cc1Br)C(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000827337240 660489620 /nfs/dbraw/zinc/48/96/20/660489620.db2.gz KTIZUDAOJSMXMF-YWPYICTPSA-N 1 0 385.277 2.908 20 0 GFADRO CCOc1cc(C[N@H+](C)CCN(C)C(=O)OC)cc(Br)c1O ZINC000827340651 660489962 /nfs/dbraw/zinc/48/99/62/660489962.db2.gz NZTJCURLEOSJQW-UHFFFAOYSA-N 1 0 375.263 2.683 20 0 GFADRO Cc1sc2ncnc(SCC(=O)N3CC[C@H]4[C@@H](CC[N@H+]4C)C3)c2c1C ZINC000827365841 660492056 /nfs/dbraw/zinc/49/20/56/660492056.db2.gz KUIWYBIISUKBIN-KBPBESRZSA-N 1 0 376.551 2.953 20 0 GFADRO C[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@@]2(C)[C@@H](C1)C2(Br)Br ZINC000855323854 661984898 /nfs/dbraw/zinc/98/48/98/661984898.db2.gz LSUHYCFRGWWUHT-WZRBSPASSA-N 1 0 394.151 2.825 20 0 GFADRO C[NH+](C)C1(C)CCN(C(=O)[C@@](C)(O)c2ccc(F)c(Br)c2)CC1 ZINC000827778965 660514593 /nfs/dbraw/zinc/51/45/93/660514593.db2.gz JNJWRAISNMARJC-KRWDZBQOSA-N 1 0 387.293 2.738 20 0 GFADRO C[NH+](C)C1(C)CCN(C(=O)C[C@@H]2C(=O)Nc3c2cccc3Br)CC1 ZINC000827779370 660514610 /nfs/dbraw/zinc/51/46/10/660514610.db2.gz ZQRSBCUGAWWQGJ-ZDUSSCGKSA-N 1 0 394.313 2.818 20 0 GFADRO Cc1cc([C@H]([NH3+])CC(=O)Nc2cccc(CS(C)(=O)=O)c2)cc(Cl)n1 ZINC000827905902 660522569 /nfs/dbraw/zinc/52/25/69/660522569.db2.gz CGXJOFNTZZFMIG-OAHLLOKOSA-N 1 0 381.885 2.617 20 0 GFADRO COc1c(C)cnc(CNC(=O)[C@](C)([NH3+])c2ccc(Br)cc2)c1C ZINC000827970888 660524778 /nfs/dbraw/zinc/52/47/78/660524778.db2.gz OQLRVLPVMQYLQQ-GOSISDBHSA-N 1 0 392.297 2.960 20 0 GFADRO C[NH+](C)CC1(O)CCN(C(=O)C/C=C/c2ccc(Br)cc2)CC1 ZINC000828196849 660539110 /nfs/dbraw/zinc/53/91/10/660539110.db2.gz ZQJREHKVHOAHAN-ONEGZZNKSA-N 1 0 381.314 2.768 20 0 GFADRO Cc1[nH]nc(NC(=O)[C@@H]2CCC[N@H+](Cc3cccnc3)C2)c1Br ZINC000616009900 651889398 /nfs/dbraw/zinc/88/93/98/651889398.db2.gz DSAGDAXYKCLLSK-CYBMUJFWSA-N 1 0 378.274 2.726 20 0 GFADRO CCO[C@@H]1C[C@]([NH3+])(C(=O)NCCc2ccc(Br)cc2F)C1(C)C ZINC000828982229 660577730 /nfs/dbraw/zinc/57/77/30/660577730.db2.gz DNEPMCKZPSIYSQ-PBHICJAKSA-N 1 0 387.293 2.779 20 0 GFADRO Cn1nc(C(=O)NC[C@]2(C)CCC[N@@H+]2Cc2ccccc2)cc1Br ZINC000829019707 660578799 /nfs/dbraw/zinc/57/87/99/660578799.db2.gz MSQJELYJXNWUKZ-SFHVURJKSA-N 1 0 391.313 2.967 20 0 GFADRO CC[NH+](CC)C[C@H]1CCN(C(=O)c2csc(I)n2)C1 ZINC000829161840 660584279 /nfs/dbraw/zinc/58/42/79/660584279.db2.gz PGVGWVUNLBEYMX-SNVBAGLBSA-N 1 0 393.294 2.552 20 0 GFADRO [NH3+][C@@H](CC(=O)NCCSCCOc1cccc(Br)c1)C1CC1 ZINC000829326103 660589520 /nfs/dbraw/zinc/58/95/20/660589520.db2.gz DUCSDAWJDHZMMU-HNNXBMFYSA-N 1 0 387.343 2.805 20 0 GFADRO C[NH+](C)[C@]1(CNC(=O)c2ccc(C(F)(F)Br)nc2)CCSC1 ZINC000829627238 660603907 /nfs/dbraw/zinc/60/39/07/660603907.db2.gz UPGSZKDPTHPYIX-ZDUSSCGKSA-N 1 0 394.285 2.693 20 0 GFADRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)[C@@H]2CCO[C@H]2c2cncc(Br)c2)C1 ZINC000829703960 660608454 /nfs/dbraw/zinc/60/84/54/660608454.db2.gz JKSZQKVBWJVBLH-NXOAAHMSSA-N 1 0 396.329 2.911 20 0 GFADRO C[C@@H]1CN(C(=O)c2c(F)ccc(I)c2Cl)C[C@H]1[NH3+] ZINC000870945782 662710315 /nfs/dbraw/zinc/71/03/15/662710315.db2.gz NXPOFAZNGSCAHH-HZGVNTEJSA-N 1 0 382.604 2.503 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)[C@]2(C)CC2(Br)Br)C[N@@H+]1C1CC1 ZINC000829863376 660617738 /nfs/dbraw/zinc/61/77/38/660617738.db2.gz MGKNBQZVZBNOPL-LNLATYFQSA-N 1 0 380.124 2.624 20 0 GFADRO C[NH+]1CCC(n2ccc(NC(=O)c3cc(O)cc(Br)c3)n2)CC1 ZINC000626697995 652401748 /nfs/dbraw/zinc/40/17/48/652401748.db2.gz VMOXVXDCBKYLNP-UHFFFAOYSA-N 1 0 379.258 2.870 20 0 GFADRO C[S@](=O)CC[NH2+]C1(Cc2ccc(F)cc2Br)CCOCC1 ZINC000830022037 660630863 /nfs/dbraw/zinc/63/08/63/660630863.db2.gz BFJFTFOPRYWGDS-NRFANRHFSA-N 1 0 378.307 2.648 20 0 GFADRO COCC[N@H+]1[C@H](C)CN(Cc2nc3ccc(Br)cc3n2C)C[C@@H]1C ZINC000830070609 660632815 /nfs/dbraw/zinc/63/28/15/660632815.db2.gz WUKKIGDJSYVHFA-OKILXGFUSA-N 1 0 395.345 2.877 20 0 GFADRO CNc1nnc(CC(=O)N[C@@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)s1 ZINC000628968435 652476307 /nfs/dbraw/zinc/47/63/07/652476307.db2.gz FMGOATOZCYJXPC-LBPRGKRZSA-N 1 0 388.324 2.848 20 0 GFADRO CNc1nnc(CC(=O)N[C@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)s1 ZINC000628968433 652476436 /nfs/dbraw/zinc/47/64/36/652476436.db2.gz FMGOATOZCYJXPC-GFCCVEGCSA-N 1 0 388.324 2.848 20 0 GFADRO C[NH+](C)[C@@H]1CCN(c2ccc(NCc3ccncc3Br)nc2)C1 ZINC000631098436 652519960 /nfs/dbraw/zinc/51/99/60/652519960.db2.gz OVWFHBWAEFBXDA-OAHLLOKOSA-N 1 0 376.302 2.992 20 0 GFADRO O=C1OCCN1C[C@H]1CC[N@@H+](Cc2nc3ccc(Br)cc3o2)C1 ZINC000830130322 660637224 /nfs/dbraw/zinc/63/72/24/660637224.db2.gz RXPYUVJZQAVMLP-NSHDSACASA-N 1 0 380.242 2.864 20 0 GFADRO CS[C@H]1CN(C(=O)c2ccc(C(F)(F)Br)nc2)C[C@@H]1[NH+](C)C ZINC000831300970 660707745 /nfs/dbraw/zinc/70/77/45/660707745.db2.gz YIZZVWSKUNWEFK-QWRGUYRKSA-N 1 0 394.285 2.643 20 0 GFADRO CS[C@@H]1CN(C(=O)c2cnn(C(C)(C)C)c2Br)C[C@@H]1[NH+](C)C ZINC000831299700 660707776 /nfs/dbraw/zinc/70/77/76/660707776.db2.gz LPKMSKPKJXRZJK-NWDGAFQWSA-N 1 0 389.363 2.518 20 0 GFADRO O=C(CC[C@@H]1CC1(Cl)Cl)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000831349864 660708767 /nfs/dbraw/zinc/70/87/67/660708767.db2.gz GAVMNMTXJQCTBB-BBWFWOEESA-N 1 0 385.335 2.960 20 0 GFADRO CC(C)N1CC[NH+](C2CCN(C(=O)CC[C@H]3CC3(Cl)Cl)CC2)CC1 ZINC000831378251 660709080 /nfs/dbraw/zinc/70/90/80/660709080.db2.gz FPIHIRVXZDJYMI-HNNXBMFYSA-N 1 0 376.372 2.977 20 0 GFADRO O=C(N1C[C@@H]2CC[N@@H+](C[C@H](O)c3ccc(Cl)cc3)C[C@H]2C1)C(F)(F)F ZINC000831572648 660713401 /nfs/dbraw/zinc/71/34/01/660713401.db2.gz WHKMKXNIZIPROS-YDHLFZDLSA-N 1 0 376.806 2.716 20 0 GFADRO C[N@H+](Cc1ccccc1)C1(CNC(=O)[C@H]2C[C@@]2(C)Br)CCOCC1 ZINC000831586671 660713532 /nfs/dbraw/zinc/71/35/32/660713532.db2.gz PQYAMRMOBQBURO-SJLPKXTDSA-N 1 0 395.341 2.957 20 0 GFADRO C[N@H+](Cc1ccccc1)[C@@H](CNC(=O)c1cc(Br)n[nH]1)C1CC1 ZINC000832453447 660780784 /nfs/dbraw/zinc/78/07/84/660780784.db2.gz BSVRGLFHMGJZHP-HNNXBMFYSA-N 1 0 377.286 2.813 20 0 GFADRO CCCC[C@@H](C[NH3+])NC(=O)Cc1csc(NC(=O)Cc2cccs2)n1 ZINC000834312801 660813832 /nfs/dbraw/zinc/81/38/32/660813832.db2.gz ISQWJPGZCIYTNJ-LBPRGKRZSA-N 1 0 380.539 2.562 20 0 GFADRO C[C@@H]([NH2+]CC1=CCCCC1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000834835317 660834765 /nfs/dbraw/zinc/83/47/65/660834765.db2.gz HHUOFRKJYONPJC-CQSZACIVSA-N 1 0 386.539 2.563 20 0 GFADRO O=S(=O)(CC[NH2+][C@H]1CCc2sc(Br)cc21)C1CCOCC1 ZINC000834891219 660837336 /nfs/dbraw/zinc/83/73/36/660837336.db2.gz RHEQQAKKFJHUBL-LBPRGKRZSA-N 1 0 394.356 2.681 20 0 GFADRO COC(=O)N1CCC[C@H]([NH2+]Cc2ccc(F)cc2I)C1 ZINC000841860022 661316753 /nfs/dbraw/zinc/31/67/53/661316753.db2.gz LHSWBCVPINJVNM-LBPRGKRZSA-N 1 0 392.212 2.751 20 0 GFADRO CC[N@@H+]1CCCC[C@H]1CNC(=O)NC[C@H](O)c1ccccc1Br ZINC000836296122 660898585 /nfs/dbraw/zinc/89/85/85/660898585.db2.gz YQWSVMSIFNFNJM-BBRMVZONSA-N 1 0 384.318 2.656 20 0 GFADRO CC[NH+]1CCC(CNC(=O)NC[C@@H](O)c2ccccc2Br)CC1 ZINC000836346238 660901171 /nfs/dbraw/zinc/90/11/71/660901171.db2.gz QDOQVHGQLRZBTB-MRXNPFEDSA-N 1 0 384.318 2.514 20 0 GFADRO C[C@]1(CCNC(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CC1(Cl)Cl ZINC000836619425 660921678 /nfs/dbraw/zinc/92/16/78/660921678.db2.gz KCWLXTOFQPQRIP-YCPHGPKFSA-N 1 0 378.344 2.637 20 0 GFADRO Cc1c(Br)nccc1NC(=O)N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC000836681838 660928087 /nfs/dbraw/zinc/92/80/87/660928087.db2.gz PPVPBXOSZPJXFR-LBPRGKRZSA-N 1 0 397.317 2.870 20 0 GFADRO CC[NH+](CC)CCOC(=O)COc1ccc(I)cc1 ZINC000002013584 654435905 /nfs/dbraw/zinc/43/59/05/654435905.db2.gz BEWSYPLGFVZSRN-UHFFFAOYSA-N 1 0 377.222 2.555 20 0 GFADRO O=C(COc1cccc(Br)c1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000008097879 654478904 /nfs/dbraw/zinc/47/89/04/654478904.db2.gz LDFLVVCIJIDZTK-UHFFFAOYSA-N 1 0 376.254 2.572 20 0 GFADRO Cc1ccc(NC(=O)C[NH2+][C@H](C)c2cccc(Cl)c2)cc1S(N)(=O)=O ZINC000015481942 654510210 /nfs/dbraw/zinc/51/02/10/654510210.db2.gz RGVBNVHMJULGIF-GFCCVEGCSA-N 1 0 381.885 2.585 20 0 GFADRO C[C@@H](C(=O)NC(=O)NCC(F)(F)F)[N@H+](C)Cc1ccc(Br)cc1 ZINC000024370906 654543792 /nfs/dbraw/zinc/54/37/92/654543792.db2.gz NMYMODIOIDGILY-VIFPVBQESA-N 1 0 396.207 2.658 20 0 GFADRO C[N@H+](CCOc1cccc(Cl)c1)CCC(=O)Nc1sccc1C(N)=O ZINC000028890628 654573330 /nfs/dbraw/zinc/57/33/30/654573330.db2.gz PEFUOOSJMCHAPH-UHFFFAOYSA-N 1 0 381.885 2.840 20 0 GFADRO O=C(NCCC[NH2+]Cc1cccnc1)c1cccc(I)c1 ZINC000036279388 654612179 /nfs/dbraw/zinc/61/21/79/654612179.db2.gz RCYJHZREXBYAQC-UHFFFAOYSA-N 1 0 395.244 2.596 20 0 GFADRO C[C@H]1C[NH+](CCCNC(=O)C(=O)Nc2cc(Cl)ccc2Cl)C[C@H](C)O1 ZINC000041275512 654625447 /nfs/dbraw/zinc/62/54/47/654625447.db2.gz ZBDDJQGWIYIFDL-RYUDHWBXSA-N 1 0 388.295 2.547 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)C(=O)NC[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000041653973 654628888 /nfs/dbraw/zinc/62/88/88/654628888.db2.gz ORTKFMKKEYHTIR-GXTWGEPZSA-N 1 0 396.329 2.933 20 0 GFADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C(=O)Nc2ccc(Br)cc2)C1 ZINC000041728936 654630100 /nfs/dbraw/zinc/63/01/00/654630100.db2.gz GFTPVGIMOKPEGV-OKILXGFUSA-N 1 0 396.329 2.872 20 0 GFADRO C[C@H](SC(=S)N1CCCC1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000042215397 654635990 /nfs/dbraw/zinc/63/59/90/654635990.db2.gz OGEFGWARZSGQHQ-DOTOQJQBSA-N 1 0 377.579 2.880 20 0 GFADRO COc1cc(C[NH2+]C[C@@H]2CCS(=O)(=O)C2)ccc1OCc1cccs1 ZINC000044862987 654664266 /nfs/dbraw/zinc/66/42/66/654664266.db2.gz NQJXCHNCAIXXLP-HNNXBMFYSA-N 1 0 381.519 2.860 20 0 GFADRO CN(Cc1ccc(Br)s1)C(=O)NCCCC[NH+]1CCOCC1 ZINC000046750296 654684894 /nfs/dbraw/zinc/68/48/94/654684894.db2.gz RBYMEOQPRGYAGA-UHFFFAOYSA-N 1 0 390.347 2.764 20 0 GFADRO CCOC(=O)N[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc(Br)cc2)C1 ZINC000047796987 654700848 /nfs/dbraw/zinc/70/08/48/654700848.db2.gz DLSVXTJZDBIOFP-OAHLLOKOSA-N 1 0 398.301 2.988 20 0 GFADRO CN(C[C@H](O)c1ccccc1Br)C(=O)NCCC[NH+]1CCCC1 ZINC000837388054 660991952 /nfs/dbraw/zinc/99/19/52/660991952.db2.gz LCDHDJOJUOGSPK-INIZCTEOSA-N 1 0 384.318 2.610 20 0 GFADRO CC1CC[NH+]([C@H](CNC(=O)NC[C@@H](O)C(F)(F)F)c2cccs2)CC1 ZINC000048740547 654712309 /nfs/dbraw/zinc/71/23/09/654712309.db2.gz AXXFOZODIRYAKF-TZMCWYRMSA-N 1 0 379.448 2.744 20 0 GFADRO O=S(=O)(c1sccc1Br)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000049060977 654714550 /nfs/dbraw/zinc/71/45/50/654714550.db2.gz UOIYOSYWKKEXRU-JQWIXIFHSA-N 1 0 379.345 2.663 20 0 GFADRO C[C@@H](NS(=O)(=O)c1ccc(Br)cc1Cl)[C@@H]1CCC[NH2+]C1 ZINC000050163282 654718060 /nfs/dbraw/zinc/71/80/60/654718060.db2.gz SMJJRSYAXKMKJU-NXEZZACHSA-N 1 0 381.723 2.769 20 0 GFADRO CC[NH+](CC)[C@H]1CCN(S(=O)(=O)c2cc(Br)sc2C)C1 ZINC000122445239 654737360 /nfs/dbraw/zinc/73/73/60/654737360.db2.gz ZYFZNHHTNCAQNC-NSHDSACASA-N 1 0 381.361 2.924 20 0 GFADRO COCCC[N@H+](C)CCNC(=O)Nc1cc(F)c(Br)cc1F ZINC000121966898 654726230 /nfs/dbraw/zinc/72/62/30/654726230.db2.gz YTCMHEOMVYYFPA-UHFFFAOYSA-N 1 0 380.233 2.817 20 0 GFADRO COc1ccc(I)c(NC(=O)N[C@H]2CCC[N@H+](C)C2)c1 ZINC000051648415 654727136 /nfs/dbraw/zinc/72/71/36/654727136.db2.gz KKVWBZOUEAOSEB-JTQLQIEISA-N 1 0 389.237 2.516 20 0 GFADRO C[N@@H+]1CCC[C@@H]2CN(S(=O)(=O)Cc3cccc(C(F)(F)F)c3)CC[C@@H]21 ZINC000122321338 654733896 /nfs/dbraw/zinc/73/38/96/654733896.db2.gz DHCRZFMLRISYKM-ZBFHGGJFSA-N 1 0 376.444 2.951 20 0 GFADRO Cc1sc(Br)cc1S(=O)(=O)NCC[N@@H+](C)C1CCCC1 ZINC000122447222 654737192 /nfs/dbraw/zinc/73/71/92/654737192.db2.gz IVKDOOTVKOQAKE-UHFFFAOYSA-N 1 0 381.361 2.972 20 0 GFADRO C[NH+](C)CCOc1ccc(CNC(=O)c2cncc(Br)c2)cc1 ZINC000053992164 654754717 /nfs/dbraw/zinc/75/47/17/654754717.db2.gz XUOLHMRFBOIIPN-UHFFFAOYSA-N 1 0 378.270 2.715 20 0 GFADRO Cc1cc(S(=O)(=O)N2CCC(C[NH+](C)C)CC2)sc1Br ZINC000123700836 654761146 /nfs/dbraw/zinc/76/11/46/654761146.db2.gz XLIKYUJLPHTJOI-UHFFFAOYSA-N 1 0 381.361 2.781 20 0 GFADRO CC(C)CN1C(=O)C(=CNNc2[nH+]ccc3sccc32)C(=O)NC1=S ZINC000055181403 654770298 /nfs/dbraw/zinc/77/02/98/654770298.db2.gz CXTUGXWGGVFYLP-YRNVUSSQSA-N 1 0 375.479 2.836 20 0 GFADRO C[C@@H]1CCC[N@H+](CCNS(=O)(=O)c2cc(Br)cnc2Cl)C1 ZINC000055240989 654772482 /nfs/dbraw/zinc/77/24/82/654772482.db2.gz FPSOHXSBNOTNJX-SNVBAGLBSA-N 1 0 396.738 2.508 20 0 GFADRO CC[NH+]1CCC(NC(=O)c2nnn(-c3cccc(Br)c3)c2C)CC1 ZINC000055751661 654780800 /nfs/dbraw/zinc/78/08/00/654780800.db2.gz KWUFYUOCQIAPQS-UHFFFAOYSA-N 1 0 392.301 2.552 20 0 GFADRO C[C@H](CNC(=O)CCNC(=O)c1ccc(Br)cc1)[NH+]1CCCCC1 ZINC000055932143 654784171 /nfs/dbraw/zinc/78/41/71/654784171.db2.gz GLIJXLDIZRKNSB-CQSZACIVSA-N 1 0 396.329 2.560 20 0 GFADRO O=C(CC[N@@H+]1CCCC[C@@H]1[C@H]1CNC(=O)C1)Nc1cccc(Br)c1 ZINC000124984968 654785610 /nfs/dbraw/zinc/78/56/10/654785610.db2.gz CNBKJSWOOPJEBL-CZUORRHYSA-N 1 0 394.313 2.768 20 0 GFADRO C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+]C[C@]1(CCO)CCOC1 ZINC000125463769 654795439 /nfs/dbraw/zinc/79/54/39/654795439.db2.gz QAEYNLBMUAGUPN-GUYCJALGSA-N 1 0 385.302 2.545 20 0 GFADRO CCn1c(SCC(=O)NC[C@H](C)[N@H+](C)C2CC2)nnc1-c1cccs1 ZINC000057720746 654809128 /nfs/dbraw/zinc/80/91/28/654809128.db2.gz YCYWPQINHVHVTK-LBPRGKRZSA-N 1 0 379.555 2.718 20 0 GFADRO C[C@H]([NH2+]C1CCN(S(=O)(=O)C(F)(F)F)CC1)c1ncc(C(C)(C)C)o1 ZINC000126213940 654810329 /nfs/dbraw/zinc/81/03/29/654810329.db2.gz NROXDURLRFRKTK-JTQLQIEISA-N 1 0 383.436 2.937 20 0 GFADRO COC(=O)c1ccc(S(=O)(=O)NCC[NH+](C(C)C)C(C)C)c(Cl)c1 ZINC000060357208 654828199 /nfs/dbraw/zinc/82/81/99/654828199.db2.gz LVXYHWUIAQGLSV-UHFFFAOYSA-N 1 0 376.906 2.524 20 0 GFADRO O=S(=O)(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1ccc(Cl)cc1F ZINC000127516897 654831140 /nfs/dbraw/zinc/83/11/40/654831140.db2.gz AYKNBWYUCBJQPL-HZPDHXFCSA-N 1 0 390.908 2.525 20 0 GFADRO O=C(NCc1ccc(O)c(Br)c1)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000127811060 654834659 /nfs/dbraw/zinc/83/46/59/654834659.db2.gz KAULDFNQQJIPMZ-ZDUSSCGKSA-N 1 0 382.302 2.971 20 0 GFADRO Cc1ccc(Br)c(S(=O)(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000127814269 654834712 /nfs/dbraw/zinc/83/47/12/654834712.db2.gz QZJNGFXUTXYABF-OLZOCXBDSA-N 1 0 375.332 2.861 20 0 GFADRO O=C(CSc1nncs1)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000061287403 654838217 /nfs/dbraw/zinc/83/82/17/654838217.db2.gz LWIVPFUDZKULFT-UHFFFAOYSA-N 1 0 380.564 2.860 20 0 GFADRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)c2ccc(Cl)c(NS(C)(=O)=O)c2)C1 ZINC000061433214 654839278 /nfs/dbraw/zinc/83/92/78/654839278.db2.gz KYKCOPQIALXBOB-CYBMUJFWSA-N 1 0 387.933 2.562 20 0 GFADRO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1ccc(Cl)c(NS(C)(=O)=O)c1 ZINC000061622420 654841237 /nfs/dbraw/zinc/84/12/37/654841237.db2.gz LHEQBEKSLLPFTL-CYBMUJFWSA-N 1 0 389.949 2.952 20 0 GFADRO COCC[N@H+](C)CCCNC(=O)N[C@@H](C)Cc1ccc(Br)cc1 ZINC000062026143 654843546 /nfs/dbraw/zinc/84/35/46/654843546.db2.gz PTKWJUYXXKWTFM-AWEZNQCLSA-N 1 0 386.334 2.648 20 0 GFADRO C[NH+]1CCC(NC(=S)NNC(=S)Nc2ccc(Cl)cc2Cl)CC1 ZINC000063143113 654849480 /nfs/dbraw/zinc/84/94/80/654849480.db2.gz DHXNGWYUCKVORW-UHFFFAOYSA-N 1 0 392.381 2.753 20 0 GFADRO O=C(C[NH2+][C@@H]1CCCC[C@H]1n1cccn1)Nc1ccc(Br)cn1 ZINC000128861491 654853105 /nfs/dbraw/zinc/85/31/05/654853105.db2.gz NLWAQJMVTQOEEM-ZIAGYGMSSA-N 1 0 378.274 2.753 20 0 GFADRO CN1CC[NH+](CCCCNC(=O)c2cc(-c3ccc(Cl)s3)on2)CC1 ZINC000063739266 654857060 /nfs/dbraw/zinc/85/70/60/654857060.db2.gz LUXRKOCOSNODMF-UHFFFAOYSA-N 1 0 382.917 2.814 20 0 GFADRO O=C(N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1c[nH]c(=O)c(Br)c1 ZINC000266107557 654857271 /nfs/dbraw/zinc/85/72/71/654857271.db2.gz TUVFWULZXQWAJH-OAHLLOKOSA-N 1 0 390.281 2.944 20 0 GFADRO COCCNc1nn(CN2CC[NH+](CC3CCCCC3)CC2)c(=S)s1 ZINC000064127922 654862465 /nfs/dbraw/zinc/86/24/65/654862465.db2.gz RGKYZJADZDWUKM-UHFFFAOYSA-N 1 0 385.603 2.888 20 0 GFADRO CS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC([NH2+]C3CCCC3)CC2)c1 ZINC000129480531 654864019 /nfs/dbraw/zinc/86/40/19/654864019.db2.gz AVKFIXFDHMTUSE-UHFFFAOYSA-N 1 0 384.929 2.880 20 0 GFADRO C[C@@H]1CC[N@H+](C[C@H](O)COc2ccc(Br)cc2)C[C@@H]1n1ccnc1 ZINC000129539536 654866163 /nfs/dbraw/zinc/86/61/63/654866163.db2.gz UFBRQZQEVNLOHS-HFTRVMKXSA-N 1 0 394.313 2.968 20 0 GFADRO CC(C)N(CC(F)(F)F)C(=O)CN1CC[NH+](CCc2cccs2)CC1 ZINC000064352578 654866609 /nfs/dbraw/zinc/86/66/09/654866609.db2.gz PQSUPFGQFKJMQE-UHFFFAOYSA-N 1 0 377.476 2.708 20 0 GFADRO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]C[C@@H](O)COCC1CC1 ZINC000129798225 654874029 /nfs/dbraw/zinc/87/40/29/654874029.db2.gz MVWNRFACSFBTSV-MLGOLLRUSA-N 1 0 385.302 2.543 20 0 GFADRO C[C@@H](CNC(=O)Nc1ccc(CCn2cc(Br)cn2)cc1)[NH+](C)C ZINC000266402551 654877146 /nfs/dbraw/zinc/87/71/46/654877146.db2.gz MPCZXZVWHRATFE-ZDUSSCGKSA-N 1 0 394.317 2.960 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)C(=O)NC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000065639472 654883417 /nfs/dbraw/zinc/88/34/17/654883417.db2.gz UFHPBFQEKWHXIR-CYBMUJFWSA-N 1 0 382.302 2.543 20 0 GFADRO CC[C@@H](NC(=O)NCC[N@H+](C)CCCOC)c1nc(C(F)(F)F)cs1 ZINC000266728253 654891537 /nfs/dbraw/zinc/89/15/37/654891537.db2.gz CGDNAWDOWDEJJW-LLVKDONJSA-N 1 0 382.452 2.881 20 0 GFADRO CC[N@H+](CCNC(=O)N(C)C[C@@H](O)c1ccccc1Br)C(C)C ZINC000838185918 661032054 /nfs/dbraw/zinc/03/20/54/661032054.db2.gz KUZHUNXFQIRVDK-MRXNPFEDSA-N 1 0 386.334 2.854 20 0 GFADRO CC[NH+]1CCN([C@@H](C)CNC(=O)[C@H](C)Oc2cc(Cl)cc(Cl)c2)CC1 ZINC000066147278 654895714 /nfs/dbraw/zinc/89/57/14/654895714.db2.gz ATJLIBDDBISGHY-KBPBESRZSA-N 1 0 388.339 2.903 20 0 GFADRO CC[C@H](C)[N@H+](C)CCNC(=O)CSc1nncn1-c1cccc(Cl)c1 ZINC000066149946 654896089 /nfs/dbraw/zinc/89/60/89/654896089.db2.gz TUZITQDSFOBDQL-ZDUSSCGKSA-N 1 0 381.933 2.859 20 0 GFADRO C[N@@H+]1CCC[C@@H](CCNC(=O)/C=C/c2ccc(I)o2)C1 ZINC000838137162 661029918 /nfs/dbraw/zinc/02/99/18/661029918.db2.gz PJUGRQXXTDOJFG-PZBABLGHSA-N 1 0 388.249 2.746 20 0 GFADRO COc1cc[nH+]c(N2CCN(C(=O)c3ccc(C)nc3Br)CC2)c1 ZINC000131347761 654902820 /nfs/dbraw/zinc/90/28/20/654902820.db2.gz NSNYVSGVIXURER-UHFFFAOYSA-N 1 0 391.269 2.519 20 0 GFADRO C[C@H]([NH2+]CC1(c2cccc(Br)c2)CCOCC1)C(=O)NC1CC1 ZINC000266997487 654903552 /nfs/dbraw/zinc/90/35/52/654903552.db2.gz BMKAHHISSXTETR-ZDUSSCGKSA-N 1 0 381.314 2.754 20 0 GFADRO Cc1ccc(C(=O)N(C)CC[N@H+](C)C2CCN(C)CC2)cc1Br ZINC000267006520 654904254 /nfs/dbraw/zinc/90/42/54/654904254.db2.gz MQLARIKZPQUECX-UHFFFAOYSA-N 1 0 382.346 2.856 20 0 GFADRO O=C(NCCCC[N@H+]1CCC[C@H]1CO)c1cccnc1SC(F)(F)F ZINC000131372325 654904299 /nfs/dbraw/zinc/90/42/99/654904299.db2.gz VCUNWYNWCLEDSW-LBPRGKRZSA-N 1 0 377.432 2.660 20 0 GFADRO CC(=O)Nc1ccc(S(=O)(=O)NC2CC[NH+](C(C)(C)C)CC2)cc1Cl ZINC000267038402 654906496 /nfs/dbraw/zinc/90/64/96/654906496.db2.gz BLKWQXJAPVSTDP-UHFFFAOYSA-N 1 0 387.933 2.840 20 0 GFADRO O=C(Cc1csc(-c2cccs2)n1)NCCCC[N@H+]1CCC[C@@H]1CO ZINC000131459964 654907896 /nfs/dbraw/zinc/90/78/96/654907896.db2.gz BXMJEQYBXPTWEB-OAHLLOKOSA-N 1 0 379.551 2.767 20 0 GFADRO O=C(NCCCC[N@H+]1CCC[C@H]1CO)c1cc2cc(Br)ccc2[nH]1 ZINC000131641643 654912334 /nfs/dbraw/zinc/91/23/34/654912334.db2.gz CEWFLEYUPAFMQQ-HNNXBMFYSA-N 1 0 394.313 2.897 20 0 GFADRO CC[NH+]1CCC(NS(=O)(=O)c2ccc(Br)c(Cl)c2)CC1 ZINC000131776764 654917933 /nfs/dbraw/zinc/91/79/33/654917933.db2.gz YWYOQQRQMSDLMK-UHFFFAOYSA-N 1 0 381.723 2.865 20 0 GFADRO CCC[N@H+](C)C[C@H]1CCN(S(=O)(=O)c2ccc(NC(C)=O)c(Cl)c2)C1 ZINC000267245191 654919824 /nfs/dbraw/zinc/91/98/24/654919824.db2.gz UDFZFZRRQLCSQI-CQSZACIVSA-N 1 0 387.933 2.651 20 0 GFADRO Cc1csc([C@](O)(CC(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)C(F)(F)F)n1 ZINC000267314485 654923498 /nfs/dbraw/zinc/92/34/98/654923498.db2.gz UKYDDCJSDWENBI-TYNCELHUSA-N 1 0 379.448 2.581 20 0 GFADRO Cc1ccc(C[NH2+]C[C@H](O)COc2ccc(I)cc2)o1 ZINC000066992948 654924590 /nfs/dbraw/zinc/92/45/90/654924590.db2.gz ZCAQLZDDYSKZKL-ZDUSSCGKSA-N 1 0 387.217 2.722 20 0 GFADRO Oc1cccc(C[NH2+]C[C@H](O)COc2ccc(I)cc2)c1 ZINC000066992962 654924732 /nfs/dbraw/zinc/92/47/32/654924732.db2.gz HDOXOYLNFGPKSP-HNNXBMFYSA-N 1 0 399.228 2.526 20 0 GFADRO CCCOc1ccc(Br)cc1C[NH2+]CC(C)(C)NS(C)(=O)=O ZINC000067005933 654925233 /nfs/dbraw/zinc/92/52/33/654925233.db2.gz VOYFJUUBHQCYOM-UHFFFAOYSA-N 1 0 393.347 2.655 20 0 GFADRO C[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)C1 ZINC000067044571 654927318 /nfs/dbraw/zinc/92/73/18/654927318.db2.gz PJYOPCPZMXLVKA-KGLIPLIRSA-N 1 0 384.307 2.899 20 0 GFADRO Cc1nc(C)c(S(=O)(=O)N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC000267509879 654932359 /nfs/dbraw/zinc/93/23/59/654932359.db2.gz BKABZVXTXLCXAU-QGZVFWFLSA-N 1 0 379.551 2.903 20 0 GFADRO Cc1nc(C)c(S(=O)(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC000267509874 654932376 /nfs/dbraw/zinc/93/23/76/654932376.db2.gz BKABZVXTXLCXAU-KRWDZBQOSA-N 1 0 379.551 2.903 20 0 GFADRO Cc1c(Br)cccc1C(=O)NC[C@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000132320150 654933538 /nfs/dbraw/zinc/93/35/38/654933538.db2.gz LHRYGEMHBSIJFA-QGZVFWFLSA-N 1 0 382.346 2.759 20 0 GFADRO CC[NH+]1CCN(Cc2ccc(CNc3ncc(Br)cn3)cc2)CC1 ZINC000067367959 654937062 /nfs/dbraw/zinc/93/70/62/654937062.db2.gz QMXWGWQMKAVRPI-UHFFFAOYSA-N 1 0 390.329 2.989 20 0 GFADRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)Nc1ccc(Br)cc1 ZINC000067398258 654937838 /nfs/dbraw/zinc/93/78/38/654937838.db2.gz OJWOCUUONXVNII-QWHCGFSZSA-N 1 0 382.302 2.624 20 0 GFADRO CCCCn1nc(C)c(C[NH2+]C2CCN(S(=O)(=O)CCC)CC2)c1Cl ZINC000067668144 654942620 /nfs/dbraw/zinc/94/26/20/654942620.db2.gz MAZLJTITUAGRPG-UHFFFAOYSA-N 1 0 390.981 2.939 20 0 GFADRO Fc1ccc(C[NH2+]CC2CC3(C2)OCCO3)c(I)c1 ZINC000922798699 664614626 /nfs/dbraw/zinc/61/46/26/664614626.db2.gz QAXDNWKWFOOEBO-UHFFFAOYSA-N 1 0 377.197 2.673 20 0 GFADRO CCS(=O)(=O)N1CCC([NH2+][C@@H](C)c2ccc(F)cc2OC(F)F)CC1 ZINC000133205708 654956414 /nfs/dbraw/zinc/95/64/14/654956414.db2.gz ZUQVZWAQLSZKAF-NSHDSACASA-N 1 0 380.432 2.892 20 0 GFADRO Cc1cc(Br)ccc1S(=O)(=O)N(C)[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000133384893 654962649 /nfs/dbraw/zinc/96/26/49/654962649.db2.gz XJXQUEOHLRRJSD-JSGCOSHPSA-N 1 0 375.332 2.718 20 0 GFADRO O=S(=O)(CC[NH2+]Cc1cc(Br)cs1)NCc1ccccc1 ZINC000069065214 654972171 /nfs/dbraw/zinc/97/21/71/654972171.db2.gz PYTKVZLJTOTHNM-UHFFFAOYSA-N 1 0 389.340 2.720 20 0 GFADRO CCC[N@H+](C)CCC(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC000069091723 654972853 /nfs/dbraw/zinc/97/28/53/654972853.db2.gz VUABECGLSFMXAL-UHFFFAOYSA-N 1 0 387.933 2.795 20 0 GFADRO CC(C)[NH+]1CCC(O)(CNC(=O)COc2cc(Cl)cc(Cl)c2)CC1 ZINC000268470229 654973294 /nfs/dbraw/zinc/97/32/94/654973294.db2.gz MJJAFZNFXLBSQI-UHFFFAOYSA-N 1 0 375.296 2.724 20 0 GFADRO CC(C)[NH+]1CCC(O)(CNC(=O)/C=C/c2ccc(Br)cc2)CC1 ZINC000268488608 654974607 /nfs/dbraw/zinc/97/46/07/654974607.db2.gz QUKMVVOXKAEAHS-VMPITWQZSA-N 1 0 381.314 2.814 20 0 GFADRO CC(C)[NH+]1CCC(O)(CNC(=O)COc2c(Cl)cccc2Cl)CC1 ZINC000268488712 654974676 /nfs/dbraw/zinc/97/46/76/654974676.db2.gz QXLJRUADGCFNOS-UHFFFAOYSA-N 1 0 375.296 2.724 20 0 GFADRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1c(F)cccc1I ZINC000268633846 654980725 /nfs/dbraw/zinc/98/07/25/654980725.db2.gz KYHVFZJIXMWZCH-RNCFNFMXSA-N 1 0 388.224 2.643 20 0 GFADRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1c(F)cccc1I ZINC000268633850 654980839 /nfs/dbraw/zinc/98/08/39/654980839.db2.gz KYHVFZJIXMWZCH-TVQRCGJNSA-N 1 0 388.224 2.643 20 0 GFADRO C[NH+](C)CCOc1ccc(CCNC(=O)c2ccncc2Br)cc1 ZINC000268657458 654981474 /nfs/dbraw/zinc/98/14/74/654981474.db2.gz WCWBHRUANMOMSV-UHFFFAOYSA-N 1 0 392.297 2.757 20 0 GFADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H](C)Oc1cccc(Cl)c1Cl ZINC000069505010 654982197 /nfs/dbraw/zinc/98/21/97/654982197.db2.gz RDVGMWUBFCYHOX-OLZOCXBDSA-N 1 0 375.296 2.988 20 0 GFADRO COc1ccc(C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)c(Br)c1 ZINC000069708822 654985551 /nfs/dbraw/zinc/98/55/51/654985551.db2.gz BQFSBYVBJRSVBZ-CQSZACIVSA-N 1 0 397.313 2.642 20 0 GFADRO O=C(CC[NH+]1CCN(c2ccccc2)CC1)Nc1ccc(Br)nc1 ZINC000134197975 654986010 /nfs/dbraw/zinc/98/60/10/654986010.db2.gz ASXMAQABEQQGRL-UHFFFAOYSA-N 1 0 389.297 2.995 20 0 GFADRO O=S(=O)(N1CCC(C[NH2+]Cc2cc(F)c(F)c(F)c2)CC1)C(F)(F)F ZINC000069875985 654988671 /nfs/dbraw/zinc/98/86/71/654988671.db2.gz PWMSUXJBEWBWMF-UHFFFAOYSA-N 1 0 390.349 2.755 20 0 GFADRO COC[C@@](C)(O)C[NH2+]Cc1cc(Br)ccc1OCc1ccccn1 ZINC000069911998 654988833 /nfs/dbraw/zinc/98/88/33/654988833.db2.gz JOIVDXRBJKARGK-SFHVURJKSA-N 1 0 395.297 2.910 20 0 GFADRO Cc1ccc(C[NH2+]CCc2ccc(S(=O)(=O)N3CCCCC3)s2)nc1 ZINC000134371694 654992391 /nfs/dbraw/zinc/99/23/91/654992391.db2.gz PXVNNTJNLFDQNG-UHFFFAOYSA-N 1 0 379.551 2.958 20 0 GFADRO CS(=O)(=O)c1ccc([C@H](O)C[NH2+]Cc2cc(Br)cs2)cc1 ZINC000070213027 654992445 /nfs/dbraw/zinc/99/24/45/654992445.db2.gz LVPXZGBHEQZTQV-CQSZACIVSA-N 1 0 390.324 2.737 20 0 GFADRO O=C(Nc1cnn(C2CC[NH2+]CC2)c1)c1ccccc1I ZINC000070442900 654992707 /nfs/dbraw/zinc/99/27/07/654992707.db2.gz PIAORDQGTLSFIX-UHFFFAOYSA-N 1 0 396.232 2.665 20 0 GFADRO [NH3+]CC1CCN(C(=O)c2ccc(I)cc2Cl)CC1 ZINC000269184380 655000906 /nfs/dbraw/zinc/00/09/06/655000906.db2.gz JSPNFUMDDHFEND-UHFFFAOYSA-N 1 0 378.641 2.756 20 0 GFADRO CN(CC(C)(C)C[NH3+])C(=O)C1(c2ccc(Br)cc2)CCOCC1 ZINC000269182940 655000970 /nfs/dbraw/zinc/00/09/70/655000970.db2.gz BCKCJDFWRONNLM-UHFFFAOYSA-N 1 0 383.330 2.941 20 0 GFADRO CCCC[C@@H](C[NH3+])NC(=O)[C@H](CCSC)NC(=O)c1ccccc1Cl ZINC000269196270 655001332 /nfs/dbraw/zinc/00/13/32/655001332.db2.gz QFAZLMWFWMSZFI-BBRMVZONSA-N 1 0 385.961 2.825 20 0 GFADRO O=C(COc1ccc(F)cc1Br)N1CCC([NH2+]CC2CC2)CC1 ZINC000269197968 655001427 /nfs/dbraw/zinc/00/14/27/655001427.db2.gz UDWRMCJJQBRAKM-UHFFFAOYSA-N 1 0 385.277 2.958 20 0 GFADRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)COc1ccc(Cl)cc1Cl ZINC000072051941 655002716 /nfs/dbraw/zinc/00/27/16/655002716.db2.gz GJWGPLPKBIWQQU-AWEZNQCLSA-N 1 0 375.296 2.941 20 0 GFADRO COCC[N@@H+]1CC[C@@H](NC(=O)c2cc(C(F)(F)F)ccc2Br)C1 ZINC000269247612 655002891 /nfs/dbraw/zinc/00/28/91/655002891.db2.gz CJCZLWKXBHLPOF-LLVKDONJSA-N 1 0 395.219 2.918 20 0 GFADRO C[C@@H]1CN(C(=O)[C@H]2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)CC[C@H]1[NH3+] ZINC000269244077 655002911 /nfs/dbraw/zinc/00/29/11/655002911.db2.gz ZCAHGLGAMJYVEO-HFBAOOFYSA-N 1 0 384.307 2.794 20 0 GFADRO CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2c(C)cc(C)cc2Br)C1 ZINC000269272218 655003875 /nfs/dbraw/zinc/00/38/75/655003875.db2.gz MCXCAEMPGKZQCP-AWEZNQCLSA-N 1 0 396.329 2.853 20 0 GFADRO CN1CC[NH+](CC2CCN(C(=O)NCC[C@@]3(C)CC3(Cl)Cl)CC2)CC1 ZINC000838680719 661053892 /nfs/dbraw/zinc/05/38/92/661053892.db2.gz KFCYMKCIPDSURG-KRWDZBQOSA-N 1 0 391.387 2.629 20 0 GFADRO CCN(CCC[NH2+]Cc1ccc(Br)cc1Cl)S(C)(=O)=O ZINC000135159205 655010811 /nfs/dbraw/zinc/01/08/11/655010811.db2.gz UXKYSRPRQIORQR-UHFFFAOYSA-N 1 0 383.739 2.864 20 0 GFADRO COc1nc(N2CC[NH+](Cc3sccc3C)CC2)ncc1Br ZINC000093079394 655017140 /nfs/dbraw/zinc/01/71/40/655017140.db2.gz GWEYXKLHEKWGOV-UHFFFAOYSA-N 1 0 383.315 2.940 20 0 GFADRO OCC[N@H+](CCOCC(F)(F)F)C[C@H](O)c1ccc(Cl)cc1Cl ZINC000135519962 655018896 /nfs/dbraw/zinc/01/88/96/655018896.db2.gz GNDRZMSFCUTNTK-ZDUSSCGKSA-N 1 0 376.202 2.900 20 0 GFADRO C[N@@H+]1CCC[C@@H](CCNC(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)C1 ZINC000838764573 661056191 /nfs/dbraw/zinc/05/61/91/661056191.db2.gz FGFDJNKMTUJBAT-LBPRGKRZSA-N 1 0 375.441 2.536 20 0 GFADRO COc1ccc(CC[NH2+]Cc2ccc(Cl)cc2Cl)cc1S(N)(=O)=O ZINC000094013638 655025986 /nfs/dbraw/zinc/02/59/86/655025986.db2.gz KSJUXBDPGAQVHT-UHFFFAOYSA-N 1 0 389.304 2.982 20 0 GFADRO CN(CCN(C)S(=O)(=O)c1c(Cl)cccc1Cl)C1CC[NH+](C)CC1 ZINC000097000172 655033133 /nfs/dbraw/zinc/03/31/33/655033133.db2.gz XMQPZUFZAMZHBP-UHFFFAOYSA-N 1 0 394.368 2.640 20 0 GFADRO CC[NH+]1CCN(C[C@@H](C)CNS(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000096999623 655033142 /nfs/dbraw/zinc/03/31/42/655033142.db2.gz HFSZQYRRZMFZDQ-ZDUSSCGKSA-N 1 0 394.368 2.545 20 0 GFADRO O=S(=O)(NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1cc(F)cc(Cl)c1 ZINC000270156145 655035363 /nfs/dbraw/zinc/03/53/63/655035363.db2.gz ITNDRWGGKMOWFR-DLBZAZTESA-N 1 0 390.908 2.525 20 0 GFADRO O=C(c1ccc(Br)cc1)N1CC[NH+](CC2(O)CCCCC2)CC1 ZINC000101587561 655045556 /nfs/dbraw/zinc/04/55/56/655045556.db2.gz SDTYBSFEZNJCTD-UHFFFAOYSA-N 1 0 381.314 2.902 20 0 GFADRO C[NH+](C)C1CCN(C(=O)[C@]23CCC(=O)N2c2cc(Cl)ccc2S3)CC1 ZINC000101686993 655046165 /nfs/dbraw/zinc/04/61/65/655046165.db2.gz UKQATGWXGVQLNY-GOSISDBHSA-N 1 0 379.913 2.821 20 0 GFADRO COc1cc(CN2CC[C@@H](NC(=O)CSC(F)(F)F)C2)cc(OC)c1 ZINC000150770602 655046441 /nfs/dbraw/zinc/04/64/41/655046441.db2.gz GNULAFPYLJZZPL-GFCCVEGCSA-N 1 0 378.416 2.647 20 0 GFADRO CC[C@](C)(CC(=O)OC)[NH2+]CC(=O)N(C)Cc1ccccc1Br ZINC000151713846 655053517 /nfs/dbraw/zinc/05/35/17/655053517.db2.gz CXFXYVPDZKAXRG-QGZVFWFLSA-N 1 0 385.302 2.729 20 0 GFADRO COC(=O)C1CC[NH+](CCCNC(=O)c2cc(Cl)c(N)c(Cl)c2)CC1 ZINC000270754119 655055089 /nfs/dbraw/zinc/05/50/89/655055089.db2.gz VRKBVTOFIHETFW-UHFFFAOYSA-N 1 0 388.295 2.581 20 0 GFADRO CCOc1cc(CNC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cc(Br)c1O ZINC000838938371 661064171 /nfs/dbraw/zinc/06/41/71/661064171.db2.gz FHPYBEFUNXEMHP-ZIAGYGMSSA-N 1 0 385.302 2.506 20 0 GFADRO COc1ccc(NC(=O)CC[N@@H+]2CCCN(CC(F)F)CC2)cc1Cl ZINC000271019525 655064025 /nfs/dbraw/zinc/06/40/25/655064025.db2.gz YOAYDGNJIZIKBV-UHFFFAOYSA-N 1 0 375.847 2.950 20 0 GFADRO O=C(Nc1ccc(=O)n(Cc2ccc(Cl)c(Cl)c2)c1)[C@]1(F)CC[NH2+]C1 ZINC000153589556 655068450 /nfs/dbraw/zinc/06/84/50/655068450.db2.gz LKMSPXMJZJYALG-KRWDZBQOSA-N 1 0 384.238 2.844 20 0 GFADRO Cc1ccc(-n2nc(Br)cc2C(=O)N2C[C@H](C)[NH2+][C@@H](C)C2)cc1 ZINC000153590106 655068472 /nfs/dbraw/zinc/06/84/72/655068472.db2.gz FIYUPXLHNIZUQN-STQMWFEESA-N 1 0 377.286 2.766 20 0 GFADRO CC(C)N1C(=O)C(=O)N(C[NH2+]C2(c3cccc(Br)c3)CCC2)C1=O ZINC000103264906 655070172 /nfs/dbraw/zinc/07/01/72/655070172.db2.gz FWPVSGGZYXAHRY-UHFFFAOYSA-N 1 0 394.269 2.575 20 0 GFADRO O=C(NCC1CC1)[C@H]1CCC[N@@H+](C[C@H](O)c2ccc(Br)cc2)C1 ZINC000103467325 655073219 /nfs/dbraw/zinc/07/32/19/655073219.db2.gz RNPHJQJLTHFBNO-RDJZCZTQSA-N 1 0 381.314 2.721 20 0 GFADRO CN(CC1CC[NH+](C)CC1)C(=O)NCc1cn2cc(Br)ccc2n1 ZINC000103513387 655074119 /nfs/dbraw/zinc/07/41/19/655074119.db2.gz DQEZSSXCJPEEHP-UHFFFAOYSA-N 1 0 394.317 2.580 20 0 GFADRO O=C(C[C@H]1CSCCS1)OCCN1CCN(Cc2ccsc2)CC1 ZINC000154452854 655076082 /nfs/dbraw/zinc/07/60/82/655076082.db2.gz ZYAHXBKGVLJCEP-INIZCTEOSA-N 1 0 386.608 2.648 20 0 GFADRO O=C(CC[N@@H+]1CCC[C@@H]1C(=O)N1CCSCC1)Nc1cccc(Cl)c1 ZINC000104090882 655078366 /nfs/dbraw/zinc/07/83/66/655078366.db2.gz UZDNUHPUXZCTJI-MRXNPFEDSA-N 1 0 381.929 2.708 20 0 GFADRO Cc1nc(Br)ccc1NC(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000271523192 655083822 /nfs/dbraw/zinc/08/38/22/655083822.db2.gz DBHHQWBZMCGGPJ-GJZGRUSLSA-N 1 0 397.317 2.652 20 0 GFADRO CS(=O)(=O)N1CC[C@H](C[NH2+][C@H]2CCCc3ccc(Br)cc32)C1 ZINC000271530555 655084251 /nfs/dbraw/zinc/08/42/51/655084251.db2.gz QVXHBKYAKSOGBU-WBMJQRKESA-N 1 0 387.343 2.698 20 0 GFADRO C[C@H]([NH2+]CC1(CS(C)(=O)=O)CC1)c1ccccc1I ZINC000271566456 655085865 /nfs/dbraw/zinc/08/58/65/655085865.db2.gz YMSPYIHZKCRUPM-NSHDSACASA-N 1 0 393.290 2.767 20 0 GFADRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+]C[C@@H](O)c2c(F)cccc2Cl)cc1 ZINC000271567912 655086075 /nfs/dbraw/zinc/08/60/75/655086075.db2.gz YSCOALWUAFOYKP-MEDUHNTESA-N 1 0 386.876 2.771 20 0 GFADRO C[C@@H]([NH2+]Cc1cccc2nsnc21)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000271646167 655089447 /nfs/dbraw/zinc/08/94/47/655089447.db2.gz GYTJNKIQSKUHGR-GFCCVEGCSA-N 1 0 376.507 2.792 20 0 GFADRO C[NH+](C)[C@H]1CCCN(C(=O)N[C@@H]2CCN(c3ccc(Br)cc3)C2)C1 ZINC000105243437 655089776 /nfs/dbraw/zinc/08/97/76/655089776.db2.gz IRWATIIZSJAYAA-WBVHZDCISA-N 1 0 395.345 2.763 20 0 GFADRO C[NH+](C)[C@H]1CCCN(C(=O)[C@]23CCC(=O)N2c2cc(Cl)ccc2S3)C1 ZINC000105328104 655090752 /nfs/dbraw/zinc/09/07/52/655090752.db2.gz RYVBWPVUVQLSEG-SCLBCKFNSA-N 1 0 379.913 2.821 20 0 GFADRO CC(C)[NH+]1CCC(N(C)S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)CC1 ZINC000271711930 655092329 /nfs/dbraw/zinc/09/23/29/655092329.db2.gz HFLILXIEFCFUBU-UHFFFAOYSA-N 1 0 386.386 2.875 20 0 GFADRO COc1cc(Cl)c(C[NH2+][C@@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)cc1Cl ZINC000271916749 655098488 /nfs/dbraw/zinc/09/84/88/655098488.db2.gz BENKRVDRZYPPMN-WBMJQRKESA-N 1 0 394.320 2.828 20 0 GFADRO O=S1(=O)CC[C@]2(C1)C[C@H]([NH2+]Cc1csc(-c3ccsc3)n1)CCO2 ZINC000271971158 655099768 /nfs/dbraw/zinc/09/97/68/655099768.db2.gz HTVADEDPOBVGOF-CZUORRHYSA-N 1 0 384.548 2.698 20 0 GFADRO O=S1(=O)CC[C@@]2(C1)C[C@@H]([NH2+]Cc1cc(Cl)ccc1OC(F)F)CCO2 ZINC000271993589 655100433 /nfs/dbraw/zinc/10/04/33/655100433.db2.gz LXFXKLDXTPZMLU-BBRMVZONSA-N 1 0 395.855 2.767 20 0 GFADRO COc1ccc(S(=O)(=O)N2CC[C@@H]3CC[N@H+](C)C[C@H]32)c(Cl)c1Cl ZINC000272374075 655110589 /nfs/dbraw/zinc/11/05/89/655110589.db2.gz GYCGLQDSKRBGCR-WDEREUQCSA-N 1 0 379.309 2.717 20 0 GFADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)/C=C/c3ccccc3Br)C2)CC1 ZINC000106799255 655111538 /nfs/dbraw/zinc/11/15/38/655111538.db2.gz GAFBQSIPCJUKEZ-IWAYRVGRSA-N 1 0 392.341 2.701 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000106962881 655115761 /nfs/dbraw/zinc/11/57/61/655115761.db2.gz QEZYVTDPGUMDJR-CQSZACIVSA-N 1 0 394.313 2.829 20 0 GFADRO Cc1nc(C(C)(C)C)sc1[C@@H](C)[NH2+]C1CCN(CCS(C)(=O)=O)CC1 ZINC000159980366 655118277 /nfs/dbraw/zinc/11/82/77/655118277.db2.gz ACBRACKOEVYQKQ-CYBMUJFWSA-N 1 0 387.615 2.909 20 0 GFADRO COc1cc([C@H](C)[NH2+]C2CCN(CCS(C)(=O)=O)CC2)ccc1SC ZINC000159980972 655118291 /nfs/dbraw/zinc/11/82/91/655118291.db2.gz YLGPLIDXLMAYTJ-AWEZNQCLSA-N 1 0 386.583 2.577 20 0 GFADRO O=S1(=O)CC[C@@]2(C1)C[C@@H]([NH2+]Cc1ccc(SC(F)F)cc1)CCO2 ZINC000272690269 655118855 /nfs/dbraw/zinc/11/88/55/655118855.db2.gz DFBXVHJSTLFXPB-BBRMVZONSA-N 1 0 377.478 2.827 20 0 GFADRO C[C@H](NC(=O)c1cc(F)ccc1I)C1=CC[N@H+](C)CC1 ZINC000272841110 655122991 /nfs/dbraw/zinc/12/29/91/655122991.db2.gz ZSFZDUJVDHMFSX-JTQLQIEISA-N 1 0 388.224 2.811 20 0 GFADRO CN(Cc1cc(Br)cs1)C(=O)C[N@H+](C)C[C@@H]1CCCOC1 ZINC000107692367 655123714 /nfs/dbraw/zinc/12/37/14/655123714.db2.gz VNGJFRNACQQSQY-LBPRGKRZSA-N 1 0 375.332 2.827 20 0 GFADRO OC[C@@H]([NH2+]C[C@H](O)COc1ccccc1F)c1cccc(Br)c1 ZINC000273093749 655130137 /nfs/dbraw/zinc/13/01/37/655130137.db2.gz KATWJYOBKATZFM-GOEBONIOSA-N 1 0 384.245 2.651 20 0 GFADRO O=C1CCN(C[NH2+]CC2(c3cccc(Br)c3)CCOCC2)CC1 ZINC000273095492 655130453 /nfs/dbraw/zinc/13/04/53/655130453.db2.gz ORFAQKYCFYAHPD-UHFFFAOYSA-N 1 0 381.314 2.709 20 0 GFADRO Cc1nc(C(=O)NC[C@@H]2CCC[N@@H+](C)C2)nn1-c1c(Cl)cccc1Cl ZINC000108330673 655131339 /nfs/dbraw/zinc/13/13/39/655131339.db2.gz FJZJOQGDQBVJPV-LBPRGKRZSA-N 1 0 382.295 2.954 20 0 GFADRO COc1cc(Cl)c(S(=O)(=O)N[C@H]2CC[N@H+](CC3CC3)C2)cc1Cl ZINC000108403915 655132061 /nfs/dbraw/zinc/13/20/61/655132061.db2.gz AQDBRMPGRHAVCT-NSHDSACASA-N 1 0 379.309 2.765 20 0 GFADRO C[C@@H]([NH2+][C@H]1CCCC1(C)C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000163033370 655134068 /nfs/dbraw/zinc/13/40/68/655134068.db2.gz IZPXFTHWDGTAQM-CJNGLKHVSA-N 1 0 388.555 2.642 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCCC1(C)C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000163033038 655134091 /nfs/dbraw/zinc/13/40/91/655134091.db2.gz IZPXFTHWDGTAQM-XJKSGUPXSA-N 1 0 388.555 2.642 20 0 GFADRO COc1cc([C@H](C)[NH2+]C[C@H]2CCC[C@H](O)C2)ccc1S(=O)(=O)C(F)F ZINC000163382890 655135324 /nfs/dbraw/zinc/13/53/24/655135324.db2.gz NLQOAWOTXOABMH-OBJOEFQTSA-N 1 0 377.453 2.893 20 0 GFADRO Brc1cc(C[NH2+][C@H]2CCCN(c3cccnn3)C2)cc2c1OCO2 ZINC000109070807 655141736 /nfs/dbraw/zinc/14/17/36/655141736.db2.gz HVUPGWPIALVHKH-ZDUSSCGKSA-N 1 0 391.269 2.726 20 0 GFADRO CC(C)[NH+](CCNC(=O)C(=O)Nc1cc(Cl)c(N)c(Cl)c1)C(C)C ZINC000839455506 661084852 /nfs/dbraw/zinc/08/48/52/661084852.db2.gz QJXKTUJATUNGIC-UHFFFAOYSA-N 1 0 375.300 2.749 20 0 GFADRO C[NH+](C)C1CCN(Cc2nc(Cc3cccc(Br)c3)no2)CC1 ZINC000109154324 655142803 /nfs/dbraw/zinc/14/28/03/655142803.db2.gz GWINMFJKKQBUMB-UHFFFAOYSA-N 1 0 379.302 2.949 20 0 GFADRO C[C@@H](C1CC[NH+](C)CC1)N(C)S(=O)(=O)c1cc(F)ccc1Br ZINC000273514988 655146009 /nfs/dbraw/zinc/14/60/09/655146009.db2.gz MWIYWDQZNHUPLA-NSHDSACASA-N 1 0 393.322 2.939 20 0 GFADRO Cc1nn(-c2ccc(C(=O)NC[C@H]3CC[N@@H+](C)C3)cc2)c(C)c1Br ZINC000109849315 655153415 /nfs/dbraw/zinc/15/34/15/655153415.db2.gz LDUHIBALENYGDJ-CQSZACIVSA-N 1 0 391.313 2.933 20 0 GFADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)Nc1ccc(SC(F)(F)F)nc1 ZINC000839178481 661075148 /nfs/dbraw/zinc/07/51/48/661075148.db2.gz JFOSWITUEYNUCS-GFCCVEGCSA-N 1 0 378.420 2.926 20 0 GFADRO C[C@@H](Sc1ccccc1Cl)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000110542672 655156935 /nfs/dbraw/zinc/15/69/35/655156935.db2.gz RUNFFLXNDFCJMZ-KGLIPLIRSA-N 1 0 383.945 2.524 20 0 GFADRO Brc1cccc2c1cnn2CN1CC[NH+](CC2CCOCC2)CC1 ZINC000172407279 655157752 /nfs/dbraw/zinc/15/77/52/655157752.db2.gz ODEMNAYSUTWHOF-UHFFFAOYSA-N 1 0 393.329 2.801 20 0 GFADRO CC(C)[C@@H](C(=O)Nc1ncn(Cc2cccc(Br)c2)n1)[NH+](C)C ZINC000110673706 655158499 /nfs/dbraw/zinc/15/84/99/655158499.db2.gz WOYOOQPJJQDXNR-AWEZNQCLSA-N 1 0 380.290 2.614 20 0 GFADRO COc1ccc(Br)cc1S(=O)(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000173270580 655166050 /nfs/dbraw/zinc/16/60/50/655166050.db2.gz MCSBZYPEEHWKGG-DGCLKSJQSA-N 1 0 391.331 2.561 20 0 GFADRO O=C([C@H]1CCC[N@H+]1CCOc1ccc(Br)cc1)N1CCSCC1 ZINC000111202299 655166347 /nfs/dbraw/zinc/16/63/47/655166347.db2.gz JDTNQRNPVIBSQH-MRXNPFEDSA-N 1 0 399.354 2.868 20 0 GFADRO CN1CC[NH+](CC2CCN(C(=O)[C@H]3SCCc4sccc43)CC2)CC1 ZINC000173278515 655166875 /nfs/dbraw/zinc/16/68/75/655166875.db2.gz SSWIGTZYBDOYHW-SFHVURJKSA-N 1 0 379.595 2.565 20 0 GFADRO C[NH+](C)CCOc1ccccc1-c1noc(Cn2cc(Br)cn2)n1 ZINC000273980687 655167361 /nfs/dbraw/zinc/16/73/61/655167361.db2.gz WCSIGQZSWIWPMB-UHFFFAOYSA-N 1 0 392.257 2.684 20 0 GFADRO O=C(CC[N@@H+]1CCC[C@H](N2CCCC2=O)C1)Nc1ccc(Br)cc1 ZINC000111291470 655168003 /nfs/dbraw/zinc/16/80/03/655168003.db2.gz XSFLPMIECWPKKR-INIZCTEOSA-N 1 0 394.313 2.865 20 0 GFADRO Brc1ccc2[nH]nc(-c3nc([C@@H]4C[N@@H+]5CCC[C@H]5CO4)no3)c2c1 ZINC000274005867 655168476 /nfs/dbraw/zinc/16/84/76/655168476.db2.gz OAYLTPNVGYMIQZ-GWCFXTLKSA-N 1 0 390.241 2.911 20 0 GFADRO Cn1cc(N2CC[C@H]([NH2+][C@H]3CCc4c3cccc4Br)C2=O)cn1 ZINC000111373789 655171968 /nfs/dbraw/zinc/17/19/68/655171968.db2.gz BAMIJQSIZAFMAV-HOTGVXAUSA-N 1 0 375.270 2.565 20 0 GFADRO CC(C)([NH2+]CCC(=O)Nc1ccc(Br)cc1)C(=O)N1CCCC1 ZINC000839590568 661094196 /nfs/dbraw/zinc/09/41/96/661094196.db2.gz XKAAUFBFYDTKKF-UHFFFAOYSA-N 1 0 382.302 2.768 20 0 GFADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)N(C)Cc1ccccc1Br ZINC000111867816 655178602 /nfs/dbraw/zinc/17/86/02/655178602.db2.gz WIBRWGXEQBULLW-HNNXBMFYSA-N 1 0 384.318 2.701 20 0 GFADRO O=C(C[N@@H+]1CCC2(CCCC2)C1)NCC(=O)Nc1ccccc1Br ZINC000173825302 655182266 /nfs/dbraw/zinc/18/22/66/655182266.db2.gz GEVDJDXTYWXQPK-UHFFFAOYSA-N 1 0 394.313 2.770 20 0 GFADRO CCNC(=O)COc1cccc(C[NH2+]Cc2cncc(Br)c2)c1 ZINC000274315591 655184610 /nfs/dbraw/zinc/18/46/10/655184610.db2.gz JCIXXHHPDDURNB-UHFFFAOYSA-N 1 0 378.270 2.649 20 0 GFADRO C[C@H]([NH2+]CCCOc1cccc(I)c1)c1nncn1C ZINC000274423029 655187858 /nfs/dbraw/zinc/18/78/58/655187858.db2.gz YOBBDHIQMRQYJT-NSHDSACASA-N 1 0 386.237 2.539 20 0 GFADRO CCCC[N@H+](C)CCNC(=O)C[C@@H](NC(C)=O)c1ccc(Br)cc1 ZINC000112310845 655188444 /nfs/dbraw/zinc/18/84/44/655188444.db2.gz YNLHXJFELSWDBF-QGZVFWFLSA-N 1 0 398.345 2.865 20 0 GFADRO O=C(C[N@@H+]1CCSC2(CCOCC2)C1)NCCCSc1ccccc1 ZINC000274491797 655190789 /nfs/dbraw/zinc/19/07/89/655190789.db2.gz HJBYWSKDEXHSEE-UHFFFAOYSA-N 1 0 380.579 2.883 20 0 GFADRO COC(=O)C1=C(C)O[C@@H](C[N@H+](C)C[C@H](O)c2cccc(Br)c2)C1 ZINC000839637615 661097425 /nfs/dbraw/zinc/09/74/25/661097425.db2.gz BNLZCHFJVXNURW-ZBFHGGJFSA-N 1 0 384.270 2.650 20 0 GFADRO C[C@H]([NH2+]CC1(N2CCSCC2)CCCC1)C(=O)NCCc1cccs1 ZINC000112526384 655193084 /nfs/dbraw/zinc/19/30/84/655193084.db2.gz OCYHZQZGMGNVDJ-INIZCTEOSA-N 1 0 381.611 2.747 20 0 GFADRO Cc1nc2n(n1)C[C@H]([NH2+][C@H](C)C(=O)Nc1ccc(Br)c(C)c1)CC2 ZINC000112549138 655193295 /nfs/dbraw/zinc/19/32/95/655193295.db2.gz IMDWNJHFQTYISS-BXUZGUMPSA-N 1 0 392.301 2.589 20 0 GFADRO CC(=O)N(C)C1CC[NH+](CCC(=O)Nc2ccccc2Br)CC1 ZINC000112544232 655193325 /nfs/dbraw/zinc/19/33/25/655193325.db2.gz MSLKOSNGLVPGFP-UHFFFAOYSA-N 1 0 382.302 2.720 20 0 GFADRO C[C@@H]([NH2+]CC1CCN(S(C)(=O)=O)CC1)c1ccccc1Br ZINC000112539490 655193346 /nfs/dbraw/zinc/19/33/46/655193346.db2.gz SVYLPOTVYPETMN-GFCCVEGCSA-N 1 0 375.332 2.771 20 0 GFADRO CCn1c(SCC(=O)NCC[N@H+](C)CC)nnc1-c1ccc(Cl)cc1 ZINC000112926761 655200023 /nfs/dbraw/zinc/20/00/23/655200023.db2.gz GMNLNODBQXGBOG-UHFFFAOYSA-N 1 0 381.933 2.778 20 0 GFADRO Cc1cccc(NC(=O)N[C@@H](C)CC[NH+]2CCN(C)CC2)c1Br ZINC000274798814 655202411 /nfs/dbraw/zinc/20/24/11/655202411.db2.gz JQEQXYCJQNMOJH-AWEZNQCLSA-N 1 0 383.334 2.905 20 0 GFADRO O=C(NCCC[NH+]1CCCCC1)C(=O)Nc1ccc(Br)c(F)c1 ZINC000174597852 655204732 /nfs/dbraw/zinc/20/47/32/655204732.db2.gz WAEIZYKIKBBOBW-UHFFFAOYSA-N 1 0 386.265 2.519 20 0 GFADRO O=S(=O)(c1ccc(CC[NH2+]Cc2cccc(O)c2)s1)N1CCCCC1 ZINC000174601589 655205008 /nfs/dbraw/zinc/20/50/08/655205008.db2.gz JRBLDSNIFMUKIO-UHFFFAOYSA-N 1 0 380.535 2.961 20 0 GFADRO O=C(NC[C@@H](O)c1c(F)cccc1Cl)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000839689925 661099945 /nfs/dbraw/zinc/09/99/45/661099945.db2.gz BBQMPLXXOPBZBF-CZUORRHYSA-N 1 0 386.920 2.846 20 0 GFADRO O=C(c1csc(I)c1)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000113426632 655210255 /nfs/dbraw/zinc/21/02/55/655210255.db2.gz ZWUSVSDRVPYQHG-NSHDSACASA-N 1 0 376.263 2.663 20 0 GFADRO C[NH+](C)C[C@@H]1CCN(C[C@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000113512100 655211354 /nfs/dbraw/zinc/21/13/54/655211354.db2.gz QSQNEQOSYWHZCH-JSGCOSHPSA-N 1 0 391.737 2.726 20 0 GFADRO C[NH+](C)C[C@@H]1CCN(Cc2csc(-c3ccc(S(C)(=O)=O)cc3)n2)C1 ZINC000113512561 655211641 /nfs/dbraw/zinc/21/16/41/655211641.db2.gz MRIAUDZOPYSNDT-AWEZNQCLSA-N 1 0 379.551 2.597 20 0 GFADRO C[NH+](C)[C@H]1CCC[C@H](NS(=O)(=O)c2cc(Br)cnc2Cl)C1 ZINC000175085389 655213705 /nfs/dbraw/zinc/21/37/05/655213705.db2.gz SFRLJHPZMFKEOP-QWRGUYRKSA-N 1 0 396.738 2.649 20 0 GFADRO CSC[C@H](O)C[NH+]1CCC(C(=O)Nc2cccc(Br)c2)CC1 ZINC000275050852 655213905 /nfs/dbraw/zinc/21/39/05/655213905.db2.gz VUBYCIUBOKZOEP-OAHLLOKOSA-N 1 0 387.343 2.824 20 0 GFADRO C[NH+](C)C1(CNC(=O)N2CCc3c(Br)cccc3C2)CCOCC1 ZINC000114037415 655217755 /nfs/dbraw/zinc/21/77/55/655217755.db2.gz GGPTXLCDSSJZAZ-UHFFFAOYSA-N 1 0 396.329 2.628 20 0 GFADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)c1c[nH]nc1-c1ccc(Cl)s1 ZINC000275125737 655218162 /nfs/dbraw/zinc/21/81/62/655218162.db2.gz MMYUWVIQKZUSOQ-LBPRGKRZSA-N 1 0 381.933 2.547 20 0 GFADRO COc1c(Br)cccc1C[N@@H+]1CC[C@@H](C(=O)NCC(F)(F)F)C1 ZINC000275134309 655218817 /nfs/dbraw/zinc/21/88/17/655218817.db2.gz LUYSOZKPMLTEKR-LLVKDONJSA-N 1 0 395.219 2.958 20 0 GFADRO Cc1nn(C)c(Cl)c1S(=O)(=O)NCC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000175333862 655220418 /nfs/dbraw/zinc/22/04/18/655220418.db2.gz SXTIWTGMCLQBMH-CYBMUJFWSA-N 1 0 384.933 2.571 20 0 GFADRO CCn1cc(C(=O)N(CC[NH+](C)C)Cc2ccc(Br)cc2)cn1 ZINC000114277237 655220621 /nfs/dbraw/zinc/22/06/21/655220621.db2.gz NSUVHUMQXIDHFW-UHFFFAOYSA-N 1 0 379.302 2.870 20 0 GFADRO CC(C)[NH+]1CCC(NC(=O)CN(C)Cc2csc(Br)c2)CC1 ZINC000114455656 655224358 /nfs/dbraw/zinc/22/43/58/655224358.db2.gz ODQZWHMTNYZETK-UHFFFAOYSA-N 1 0 388.375 2.931 20 0 GFADRO O=S(=O)(NC[C@H](c1cccs1)[NH+]1CCCC1)c1c[nH]c2ncccc12 ZINC000114735447 655227679 /nfs/dbraw/zinc/22/76/79/655227679.db2.gz OLSVXURVQXQVCW-CQSZACIVSA-N 1 0 376.507 2.740 20 0 GFADRO C[C@H]1CCC[N@H+](CCNC(=O)C(=O)Nc2nc(-c3cccs3)cs2)C1 ZINC000175840543 655228158 /nfs/dbraw/zinc/22/81/58/655228158.db2.gz BNLNOXKHNTWJQO-LBPRGKRZSA-N 1 0 378.523 2.658 20 0 GFADRO C[NH+]1CCN([C@@H]2CCCCN(C(=O)c3ccc(Br)c(F)c3)C2)CC1 ZINC000175987602 655231370 /nfs/dbraw/zinc/23/13/70/655231370.db2.gz ZIQILTKTYKLJOW-OAHLLOKOSA-N 1 0 398.320 2.830 20 0 GFADRO Cc1cc(CCC(=O)NCCN2CCC([NH+](C)C)CC2)ccc1Br ZINC000176255068 655241758 /nfs/dbraw/zinc/24/17/58/655241758.db2.gz PZRPPVAUFIXCLM-UHFFFAOYSA-N 1 0 396.373 2.832 20 0 GFADRO CSc1nnc(CNC(=O)NCCC[N@@H+]2CCc3ccccc3C2)s1 ZINC000275561268 655241802 /nfs/dbraw/zinc/24/18/02/655241802.db2.gz DUTLTKLRMPHPCE-UHFFFAOYSA-N 1 0 377.539 2.508 20 0 GFADRO CSc1nnc(CNC(=O)NC(C)(C)C[N@H+](C)Cc2ccccc2)s1 ZINC000275570183 655242361 /nfs/dbraw/zinc/24/23/61/655242361.db2.gz AYJNDXHSBYKKQF-UHFFFAOYSA-N 1 0 379.555 2.970 20 0 GFADRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)NCCOc1ccc(Br)cc1 ZINC000115812635 655242490 /nfs/dbraw/zinc/24/24/90/655242490.db2.gz DUMQHDVIMXSMQZ-CQSZACIVSA-N 1 0 384.318 2.811 20 0 GFADRO O=C(C[N@@H+](CCO)C1CCOCC1)Nc1ccc(Br)cc1Cl ZINC000275585892 655242931 /nfs/dbraw/zinc/24/29/31/655242931.db2.gz QFPIERXXRMAKKF-UHFFFAOYSA-N 1 0 391.693 2.514 20 0 GFADRO CCn1ccnc1[C@H]1OCC[C@@H]1[NH2+]Cc1cnc2ccc(Br)cn12 ZINC000275613758 655244026 /nfs/dbraw/zinc/24/40/26/655244026.db2.gz RBHMVKQVDLKCIH-HOCLYGCPSA-N 1 0 390.285 2.933 20 0 GFADRO C[NH+](C)CC[C@@H](NC(=O)c1cc(I)c[nH]1)C(C)(C)C ZINC000116231203 655246615 /nfs/dbraw/zinc/24/66/15/655246615.db2.gz ZAFDEVFVEBVRQO-GFCCVEGCSA-N 1 0 377.270 2.716 20 0 GFADRO CSc1nnc(CNC(=O)N(CC[NH+](C)C)Cc2ccccc2F)s1 ZINC000275706261 655247842 /nfs/dbraw/zinc/24/78/42/655247842.db2.gz MIGMMKWVKHSHTF-UHFFFAOYSA-N 1 0 383.518 2.673 20 0 GFADRO C[NH+](C)C[C@H]1CCN(C(=O)c2ccc(I)c(Cl)c2)C1 ZINC000176512295 655248797 /nfs/dbraw/zinc/24/87/97/655248797.db2.gz WHHBXJZTGUCZHU-SNVBAGLBSA-N 1 0 392.668 2.968 20 0 GFADRO CCOc1c(Br)cc(C[NH2+]C[C@@]2(O)CCSC2)cc1OC ZINC000176756129 655255098 /nfs/dbraw/zinc/25/50/98/655255098.db2.gz MRYOZCZMMZRQPY-HNNXBMFYSA-N 1 0 376.316 2.814 20 0 GFADRO O=C(Nc1ccc(F)cc1Br)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000176874041 655258459 /nfs/dbraw/zinc/25/84/59/655258459.db2.gz ZZTGUUAUICJAAR-GFCCVEGCSA-N 1 0 386.265 2.774 20 0 GFADRO CCN(CCC[NH+](C)C)C(=O)C(=O)Nc1cc(Cl)c(OC)c(Cl)c1 ZINC000276243210 655268685 /nfs/dbraw/zinc/26/86/85/655268685.db2.gz LEHKNYJTHOEGRB-UHFFFAOYSA-N 1 0 376.284 2.741 20 0 GFADRO C[NH+](C)C1CCN(CCNC(=O)c2cc3c(cccc3Br)[nH]2)CC1 ZINC000177120853 655269357 /nfs/dbraw/zinc/26/93/57/655269357.db2.gz YXJIWEKNDOJSPQ-UHFFFAOYSA-N 1 0 393.329 2.686 20 0 GFADRO C[NH+](C)CCNC(=O)C(=O)Nc1ccccc1SC[C@@H]1CC1(Cl)Cl ZINC000118093676 655271522 /nfs/dbraw/zinc/27/15/22/655271522.db2.gz MHIAAFPBVRGRBM-NSHDSACASA-N 1 0 390.336 2.589 20 0 GFADRO C[N@@H+]1CCC[C@@H](CCNC(=O)CCN2C(=S)N=NC2c2cccs2)C1 ZINC000839799943 661107988 /nfs/dbraw/zinc/10/79/88/661107988.db2.gz SEWDYDVHWUWPHM-ZDUSSCGKSA-N 1 0 379.555 2.534 20 0 GFADRO C[NH+](C)[C@H]1CCCN(C(=O)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)C1 ZINC000177528955 655279760 /nfs/dbraw/zinc/27/97/60/655279760.db2.gz YPZIVDPKYALPSG-NSHDSACASA-N 1 0 377.794 2.850 20 0 GFADRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)c2cc(=O)[nH]c3ccc(Br)cc32)C1 ZINC000177573132 655281949 /nfs/dbraw/zinc/28/19/49/655281949.db2.gz RJUDWYPDJFVHCO-OLZOCXBDSA-N 1 0 392.297 2.893 20 0 GFADRO CC[NH+]1CCN([C@@H]2CCN(CC(=O)Nc3cccc(Cl)c3Cl)C2)CC1 ZINC000118835001 655282839 /nfs/dbraw/zinc/28/28/39/655282839.db2.gz SZTPXTLHMRYICP-CQSZACIVSA-N 1 0 385.339 2.644 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)C(=O)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000118895963 655283151 /nfs/dbraw/zinc/28/31/51/655283151.db2.gz CANBIUBNHBHFJY-CYBMUJFWSA-N 1 0 396.329 2.934 20 0 GFADRO O=C(NC1CC[NH+](Cc2cccnc2)CC1)c1ccnc(Br)c1 ZINC000177628784 655283938 /nfs/dbraw/zinc/28/39/38/655283938.db2.gz DIHLLBFEKKFPOR-UHFFFAOYSA-N 1 0 375.270 2.634 20 0 GFADRO COC(=O)CC[N@H+](CCC1OCCCO1)Cc1cccc(Br)c1 ZINC000276708603 655284391 /nfs/dbraw/zinc/28/43/91/655284391.db2.gz CRDSPIVMECNQHJ-UHFFFAOYSA-N 1 0 386.286 2.967 20 0 GFADRO C[C@@](O)(C[NH2+]Cc1ccc(Br)cc1N1CCOCC1)C(F)(F)F ZINC000276805623 655288382 /nfs/dbraw/zinc/28/83/82/655288382.db2.gz ZNZSERPOSDXARV-CQSZACIVSA-N 1 0 397.235 2.689 20 0 GFADRO CN(Cc1cc(Br)cs1)C(=O)CN1CCc2cc[nH]c(=O)c2C1 ZINC000276854749 655290406 /nfs/dbraw/zinc/29/04/06/655290406.db2.gz AKLPDXXXYPZGHM-UHFFFAOYSA-N 1 0 396.310 2.628 20 0 GFADRO CC(C)(C)S(=O)(=O)N1CCC([NH2+]Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000276934426 655293960 /nfs/dbraw/zinc/29/39/60/655293960.db2.gz MTUSNUKGZDOBBD-UHFFFAOYSA-N 1 0 384.933 2.670 20 0 GFADRO COc1ccc(Br)cc1S(=O)(=O)N1CCC[C@@H]([NH+](C)C)CC1 ZINC000276944545 655294418 /nfs/dbraw/zinc/29/44/18/655294418.db2.gz BRJMZBHMAKCDAL-CYBMUJFWSA-N 1 0 391.331 2.563 20 0 GFADRO C[NH+](C)[C@@]1(CNC(=O)C(=O)Nc2cc(Cl)c(F)c(Cl)c2)CCSC1 ZINC000276959158 655295157 /nfs/dbraw/zinc/29/51/57/655295157.db2.gz BJQKEGUACACLMN-OAHLLOKOSA-N 1 0 394.299 2.625 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000178006226 655295174 /nfs/dbraw/zinc/29/51/74/655295174.db2.gz LKZPEONJGPTZAA-GJZGRUSLSA-N 1 0 396.329 2.993 20 0 GFADRO O=C(NC1CC[NH+](Cc2ccccn2)CC1)c1nc(Br)cs1 ZINC000119254853 655295245 /nfs/dbraw/zinc/29/52/45/655295245.db2.gz UFKFZLZZRLCZHK-UHFFFAOYSA-N 1 0 381.299 2.695 20 0 GFADRO Cc1ccc(NC(=O)C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)c(Br)c1 ZINC000178014859 655295556 /nfs/dbraw/zinc/29/55/56/655295556.db2.gz WSZKRWYURZTMQC-QWHCGFSZSA-N 1 0 382.302 2.685 20 0 GFADRO NC(=O)[C@@H]1CCCN1CCC[NH2+]Cc1cc(Br)c(Cl)s1 ZINC000276991420 655297037 /nfs/dbraw/zinc/29/70/37/655297037.db2.gz WIVWQISDJROOBR-NSHDSACASA-N 1 0 380.739 2.593 20 0 GFADRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2csc(I)c2)C1 ZINC000119374098 655301488 /nfs/dbraw/zinc/30/14/88/655301488.db2.gz GWAWKKKMTDDNFG-ZYHUDNBSSA-N 1 0 390.290 2.909 20 0 GFADRO C[NH+](C)[C@H]1CCCN(S(=O)(=O)Cc2ccc(Br)cc2)CC1 ZINC000277082558 655302368 /nfs/dbraw/zinc/30/23/68/655302368.db2.gz UKCQKWTZSLJKAR-HNNXBMFYSA-N 1 0 375.332 2.695 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)C(=O)N1CCC[C@@H]([NH+](C)C)CC1 ZINC000277104376 655303598 /nfs/dbraw/zinc/30/35/98/655303598.db2.gz LTEMHIURKGJJGI-CQSZACIVSA-N 1 0 382.302 2.639 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)C(=O)N1CCC[C@H]([NH+](C)C)CC1 ZINC000277104373 655303660 /nfs/dbraw/zinc/30/36/60/655303660.db2.gz LTEMHIURKGJJGI-AWEZNQCLSA-N 1 0 382.302 2.639 20 0 GFADRO C[NH+](C)[C@H]1CCCN(C(=O)c2c(F)cccc2I)CC1 ZINC000277114138 655304044 /nfs/dbraw/zinc/30/40/44/655304044.db2.gz DSHZAUIVUNNQFK-NSHDSACASA-N 1 0 390.240 2.987 20 0 GFADRO CCN(CC)S(=O)(=O)c1ccc(CC[NH2+][C@@H](C)c2cn(C)nc2C)s1 ZINC000178657853 655307143 /nfs/dbraw/zinc/30/71/43/655307143.db2.gz OTWSVFRCKVZZPL-ZDUSSCGKSA-N 1 0 384.571 2.714 20 0 GFADRO COC(=O)c1cc(S(=O)(=O)N2CCC([C@H](C)[NH3+])CC2)c(Cl)cc1Cl ZINC000178926156 655310688 /nfs/dbraw/zinc/31/06/88/655310688.db2.gz HZAMLJWONPOSPW-VIFPVBQESA-N 1 0 395.308 2.528 20 0 GFADRO O=C([C@H]1CCC[N@@H+](C[C@H](O)c2ccc(Cl)cc2Cl)C1)N1CCOCC1 ZINC000179461230 655313813 /nfs/dbraw/zinc/31/38/13/655313813.db2.gz NPQNNQCNHVTBPI-GUYCJALGSA-N 1 0 387.307 2.598 20 0 GFADRO CCC[N@H+](Cc1cc(Br)cc(C)c1O)[C@@H]1CCS(=O)(=O)C1 ZINC000179573970 655314807 /nfs/dbraw/zinc/31/48/07/655314807.db2.gz PZJHGLPSHAHMNQ-CQSZACIVSA-N 1 0 376.316 2.862 20 0 GFADRO C[NH+](C)[C@H]1CCCN(C(=O)c2ccc(F)c(I)c2)CC1 ZINC000277400486 655317014 /nfs/dbraw/zinc/31/70/14/655317014.db2.gz YIMRLSCQYUHFON-LBPRGKRZSA-N 1 0 390.240 2.987 20 0 GFADRO Cc1ccc(C[NH2+]CCNS(=O)(=O)c2cccs2)c(Br)c1 ZINC000119838447 655317805 /nfs/dbraw/zinc/31/78/05/655317805.db2.gz RFPPWJGODRTXRJ-UHFFFAOYSA-N 1 0 389.340 2.887 20 0 GFADRO NC(=O)CCC1CC[NH+]([C@H]2CCN(c3cccc(Br)c3)C2=O)CC1 ZINC000277436736 655319317 /nfs/dbraw/zinc/31/93/17/655319317.db2.gz JVRNQWOFDGEWPM-INIZCTEOSA-N 1 0 394.313 2.532 20 0 GFADRO CC1(C)C[C@@H]([NH2+]CC(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)C(C)(C)O1 ZINC000119907255 655320680 /nfs/dbraw/zinc/32/06/80/655320680.db2.gz RTXPSYBMLYGGOF-CQSZACIVSA-N 1 0 388.917 2.618 20 0 GFADRO COCC[N@H+]1[C@H](C)CN(C(=O)C[C@H](O)c2cc(Cl)cc(Cl)c2)C[C@@H]1C ZINC000180226943 655324358 /nfs/dbraw/zinc/32/43/58/655324358.db2.gz YDKXWOBEGDKDCL-AHIWAGSCSA-N 1 0 389.323 2.985 20 0 GFADRO COc1ccc(C(=O)NC[C@H](c2ccccc2)[NH+](C)C)nc1Br ZINC000180510585 655327637 /nfs/dbraw/zinc/32/76/37/655327637.db2.gz OGFUQOMKVJBBTG-CQSZACIVSA-N 1 0 378.270 2.885 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)N[C@@H](CO)c2cccc(Br)c2)C1 ZINC000120115678 655328286 /nfs/dbraw/zinc/32/82/86/655328286.db2.gz BVGCNHBNHNJCLW-XHSDSOJGSA-N 1 0 384.318 2.655 20 0 GFADRO C[NH+](C)CCN(Cc1cccc(O)c1)C(=O)c1nc(Br)cs1 ZINC000120173507 655330139 /nfs/dbraw/zinc/33/01/39/655330139.db2.gz FGRBOFXXEUPJCZ-UHFFFAOYSA-N 1 0 384.299 2.815 20 0 GFADRO O=C(NCCSC(F)(F)F)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000181034783 655331832 /nfs/dbraw/zinc/33/18/32/655331832.db2.gz BPCRBYYWKLTCKW-UHFFFAOYSA-N 1 0 383.480 2.773 20 0 GFADRO Cc1c([C@@H](C)[NH2+]CCOCCS(C)(=O)=O)cnn1-c1cccc(Cl)c1 ZINC000181146432 655333003 /nfs/dbraw/zinc/33/30/03/655333003.db2.gz OBVOZMKGOKIXKV-CYBMUJFWSA-N 1 0 385.917 2.546 20 0 GFADRO C[C@@H](C[NH2+]CC1=Cc2cc(Br)ccc2OC1)CN1CCOCC1 ZINC000120276823 655333721 /nfs/dbraw/zinc/33/37/21/655333721.db2.gz BHSOZUPMMJPIDK-AWEZNQCLSA-N 1 0 381.314 2.783 20 0 GFADRO C[C@@]1(C(=O)NC2CCN(Cc3ccc(Br)cc3)CC2)CCC[NH2+]C1 ZINC000120477436 655336811 /nfs/dbraw/zinc/33/68/11/655336811.db2.gz BHODSZNRCCGYOK-LJQANCHMSA-N 1 0 394.357 2.919 20 0 GFADRO Cc1ccc(NC(=O)C(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1Br ZINC000120548104 655338730 /nfs/dbraw/zinc/33/87/30/655338730.db2.gz UGTRDWWOQXSTGE-OCCSQVGLSA-N 1 0 382.302 2.637 20 0 GFADRO Cc1ccc(I)cc1C(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000120552942 655338944 /nfs/dbraw/zinc/33/89/44/655338944.db2.gz SGVNCAZHIDDNKU-AAEUAGOBSA-N 1 0 384.261 2.955 20 0 GFADRO C[C@@H](NC(=O)N[C@H](CO)c1cccc(Br)c1)C(C)(C)C[NH+](C)C ZINC000120618928 655340671 /nfs/dbraw/zinc/34/06/71/655340671.db2.gz DUARZIYLYASCFK-IUODEOHRSA-N 1 0 386.334 2.758 20 0 GFADRO C[C@H](NC(=O)N[C@@H](CO)c1cccc(Br)c1)C(C)(C)C[NH+](C)C ZINC000120618459 655340693 /nfs/dbraw/zinc/34/06/93/655340693.db2.gz DUARZIYLYASCFK-WFASDCNBSA-N 1 0 386.334 2.758 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)C(=O)NCc1c(F)cccc1Cl)c1cccs1 ZINC000284272254 655341414 /nfs/dbraw/zinc/34/14/14/655341414.db2.gz HESQGCMBBRJZQH-AWEZNQCLSA-N 1 0 383.876 2.576 20 0 GFADRO CN(Cn1nc2ccc(Br)cn2c1=S)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000839994917 661122627 /nfs/dbraw/zinc/12/26/27/661122627.db2.gz GZYHMRFOSJFRNS-CYBMUJFWSA-N 1 0 382.331 2.754 20 0 GFADRO Cc1c(I)cccc1C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000289269293 655345079 /nfs/dbraw/zinc/34/50/79/655345079.db2.gz OYNRYFLADAXHMS-INIZCTEOSA-N 1 0 384.261 2.815 20 0 GFADRO O=C(C[C@H]1Sc2ccc(Cl)cc2NC1=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000289319928 655346516 /nfs/dbraw/zinc/34/65/16/655346516.db2.gz UNQIBMUTHMZJHO-QAPCUYQASA-N 1 0 379.913 2.745 20 0 GFADRO CCCS(=O)(=O)CC[NH2+][C@@]1(CNC(=O)OC(C)(C)C)CCCC[C@H]1C ZINC000121273270 655348897 /nfs/dbraw/zinc/34/88/97/655348897.db2.gz LFPNBZUPEBCRLM-CRAIPNDOSA-N 1 0 376.563 2.874 20 0 GFADRO Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)N1C[C@H]([NH+]2CCCC2)C[C@H]1C ZINC000291061699 655350005 /nfs/dbraw/zinc/35/00/05/655350005.db2.gz NECVQLCGJHHIEH-ZYHUDNBSSA-N 1 0 378.826 2.949 20 0 GFADRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)NC[C@@H](C)C[NH+]2CCCC2)c1 ZINC000183516985 655351822 /nfs/dbraw/zinc/35/18/22/655351822.db2.gz HSHDSUHJTDXLNM-GFCCVEGCSA-N 1 0 375.878 2.567 20 0 GFADRO C[N@@H+]1CC[C@]2(CCN(C(=O)c3cn(-c4ccc(Br)cc4)cn3)C2)C1 ZINC000292527020 655351939 /nfs/dbraw/zinc/35/19/39/655351939.db2.gz JZPXJXLCLQVSNU-SFHVURJKSA-N 1 0 389.297 2.803 20 0 GFADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)C1(Cc2ccccc2Br)CC1 ZINC000292724422 655354018 /nfs/dbraw/zinc/35/40/18/655354018.db2.gz ITWQNEVHAVBKPD-OAHLLOKOSA-N 1 0 394.357 2.524 20 0 GFADRO O[C@@H](C[NH2+][C@H](c1cncc(Br)c1)C1CC1)COCC(F)(F)F ZINC000292847703 655355310 /nfs/dbraw/zinc/35/53/10/655355310.db2.gz FRSJGLJTKSPZIC-STQMWFEESA-N 1 0 383.208 2.825 20 0 GFADRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)c3c[nH]c4ncc(Br)cc34)C2)C1 ZINC000293913795 655362579 /nfs/dbraw/zinc/36/25/79/655362579.db2.gz HZGZFYQPFCWSJJ-QGZVFWFLSA-N 1 0 377.286 2.883 20 0 GFADRO Cc1ccc(I)cc1C(=O)Nc1ccnn1CC[NH+](C)C ZINC000293925049 655362846 /nfs/dbraw/zinc/36/28/46/655362846.db2.gz BEZRGOYPKVNUGJ-UHFFFAOYSA-N 1 0 398.248 2.610 20 0 GFADRO C[C@H]1[C@@H]([NH2+]Cc2cc(Br)cc(Br)c2)CCS1(=O)=O ZINC000294085784 655364767 /nfs/dbraw/zinc/36/47/67/655364767.db2.gz ZFUKOTARSPNUFZ-UFBFGSQYSA-N 1 0 397.132 2.877 20 0 GFADRO COC[C@H]([NH2+]CCC(=O)Nc1sccc1C(N)=O)c1cccc(Cl)c1 ZINC000298611783 655373619 /nfs/dbraw/zinc/37/36/19/655373619.db2.gz TYXCJEIIBIRUOC-AWEZNQCLSA-N 1 0 381.885 2.806 20 0 GFADRO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]C[C@@H](O)c2ccc(F)cc2Cl)cc1 ZINC000187421468 655374282 /nfs/dbraw/zinc/37/42/82/655374282.db2.gz WMDXGBNZPZTVCY-PIGZYNQJSA-N 1 0 386.876 2.771 20 0 GFADRO CC(C)[C@H](CNC(=O)NCc1cccc(Br)c1)[NH+]1CCN(C)CC1 ZINC000299458361 655376288 /nfs/dbraw/zinc/37/62/88/655376288.db2.gz QJDSRKIOQCMPMJ-KRWDZBQOSA-N 1 0 397.361 2.520 20 0 GFADRO CC[C@@H]([NH2+]CC1CN(S(C)(=O)=O)C1)c1cc(F)cc(Br)c1 ZINC000187811337 655376672 /nfs/dbraw/zinc/37/66/72/655376672.db2.gz TYPRJSZWFOTGGU-CQSZACIVSA-N 1 0 379.295 2.520 20 0 GFADRO C[C@H](C[C@@H]1CCCCCN1C(=O)OC(C)(C)C)[NH2+]CCCS(C)(=O)=O ZINC000301518680 655377834 /nfs/dbraw/zinc/37/78/34/655377834.db2.gz ZZUFTXWJBPJXQY-CVEARBPZSA-N 1 0 376.563 2.969 20 0 GFADRO C[C@H](C[N@H+](C)Cc1ccccc1)NS(=O)(=O)c1c(Cl)nc2sccn21 ZINC000310904256 655379269 /nfs/dbraw/zinc/37/92/69/655379269.db2.gz NKXRKHIMWBGRAR-GFCCVEGCSA-N 1 0 398.941 2.848 20 0 GFADRO CCC[C@H]1CN(C(=O)Nc2cccc(Br)n2)CC[N@@H+]1CCOC ZINC000188641238 655381176 /nfs/dbraw/zinc/38/11/76/655381176.db2.gz CKTJAQLLJYAPQY-ZDUSSCGKSA-N 1 0 385.306 2.809 20 0 GFADRO Cc1ccsc1-c1nn(CN2CC[N@H+](CC(C)(C)O)[C@H](C)C2)c(=S)o1 ZINC000188961881 655383452 /nfs/dbraw/zinc/38/34/52/655383452.db2.gz NAUAHMKGXMEQIE-CYBMUJFWSA-N 1 0 382.555 2.977 20 0 GFADRO COCCC1(C[NH2+]C2CCN(S(=O)(=O)C(F)(F)F)CC2)CCCCC1 ZINC000189285693 655385746 /nfs/dbraw/zinc/38/57/46/655385746.db2.gz DHFOZTRPSLHTHF-UHFFFAOYSA-N 1 0 386.480 2.877 20 0 GFADRO CCN(CCC[NH+](C)C)S(=O)(=O)c1ccc(Br)c(C(C)=O)c1 ZINC000189521753 655386843 /nfs/dbraw/zinc/38/68/43/655386843.db2.gz QSKHJVGFKUCUNQ-UHFFFAOYSA-N 1 0 391.331 2.614 20 0 GFADRO CC(C)C[C@H]1C(=O)NCC[N@H+]1Cn1ccc(=O)c2cccc(Br)c21 ZINC000189765958 655388079 /nfs/dbraw/zinc/38/80/79/655388079.db2.gz AHMQGSPHCNHNKY-HNNXBMFYSA-N 1 0 392.297 2.568 20 0 GFADRO C[C@@H](CN1C(=O)N[C@@H](c2ccc(Br)cc2)C1=O)C[NH+]1CCCC1 ZINC000349362891 655389498 /nfs/dbraw/zinc/38/94/98/655389498.db2.gz KVOLZYZLWGWVQB-DOMZBBRYSA-N 1 0 380.286 2.774 20 0 GFADRO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(C(=O)c2cc(F)c(Cl)cc2Cl)CC1 ZINC000363200915 655391397 /nfs/dbraw/zinc/39/13/97/655391397.db2.gz RUEYMLNGABKZTK-HNNXBMFYSA-N 1 0 388.270 2.687 20 0 GFADRO C[N@@H+]1CCC[C@H](N2CCN(CC(=O)Nc3cccc(Cl)c3Cl)CC2)C1 ZINC000363218024 655391680 /nfs/dbraw/zinc/39/16/80/655391680.db2.gz DXLMOJNOCDSDJF-AWEZNQCLSA-N 1 0 385.339 2.644 20 0 GFADRO Cc1c(Br)cccc1CC(=O)NC[C@@H]1CCC[C@H]1[NH+]1CCOCC1 ZINC000365160279 655391945 /nfs/dbraw/zinc/39/19/45/655391945.db2.gz XKKIMUAQUIXGGX-FUHWJXTLSA-N 1 0 395.341 2.917 20 0 GFADRO Cn1ccnc1[C@H]1CCCN([C@@H](C(N)=O)c2ccc(Br)cc2F)C1 ZINC000365631204 655394716 /nfs/dbraw/zinc/39/47/16/655394716.db2.gz QFQVBJQAZKSKPT-XHDPSFHLSA-N 1 0 395.276 2.728 20 0 GFADRO CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)CSC(F)(F)F ZINC000365913459 655396520 /nfs/dbraw/zinc/39/65/20/655396520.db2.gz YVGDNUQRCWZSDR-UHFFFAOYSA-N 1 0 381.508 2.894 20 0 GFADRO C[C@H](Oc1ccccc1Br)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000366198801 655399812 /nfs/dbraw/zinc/39/98/12/655399812.db2.gz VUINLXZSAASULZ-DZGCQCFKSA-N 1 0 397.313 2.586 20 0 GFADRO O=C(NCC[C@H]1CCC[NH2+]1)C(=O)N(Cc1ccc(Cl)c(Cl)c1)C1CC1 ZINC000419932146 655406994 /nfs/dbraw/zinc/40/69/94/655406994.db2.gz DXMIUHWJFFBHDY-CYBMUJFWSA-N 1 0 384.307 2.743 20 0 GFADRO CN1CCO[C@@H]([C@H](NC(=O)c2cnc(Cl)cn2)c2ccc(Cl)cc2)C1 ZINC000192843308 655407062 /nfs/dbraw/zinc/40/70/62/655407062.db2.gz ACSMDZNVWWEWNR-GDBMZVCRSA-N 1 0 381.263 2.585 20 0 GFADRO O=C(c1cc(F)c(F)cc1I)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000424024880 655407898 /nfs/dbraw/zinc/40/78/98/655407898.db2.gz HXXPSBVHHVTSHL-CQSZACIVSA-N 1 0 392.187 2.538 20 0 GFADRO COc1ccc(Br)cc1C[C@H](CO)C[NH2+][C@H]1CCCc2n[nH]cc21 ZINC000453386413 655411659 /nfs/dbraw/zinc/41/16/59/655411659.db2.gz VBJKHVXWLCNSPY-LRDDRELGSA-N 1 0 394.313 2.999 20 0 GFADRO Cc1ccc(F)c(Br)c1NC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000453606070 655411913 /nfs/dbraw/zinc/41/19/13/655411913.db2.gz XYCXNDQFRIKYFK-NEPJUHHUSA-N 1 0 398.276 2.578 20 0 GFADRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)c1ccc(OC(F)(F)Cl)cc1 ZINC000194886193 655417960 /nfs/dbraw/zinc/41/79/60/655417960.db2.gz GLRNPWRVWTZAMY-LBPRGKRZSA-N 1 0 376.831 2.772 20 0 GFADRO COCCN(CC[NH+](C)C)C(=O)[C@@H](C)Sc1ccc(Br)cc1 ZINC000517836078 655418934 /nfs/dbraw/zinc/41/89/34/655418934.db2.gz ROVXOCYFNUMTSI-CYBMUJFWSA-N 1 0 389.359 2.966 20 0 GFADRO C[C@H](N[C@H]1CC[NH2+]C12CCC2)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000530214769 655420455 /nfs/dbraw/zinc/42/04/55/655420455.db2.gz CQVKAJJOZGVFJF-XPTSAGLGSA-N 1 0 378.325 2.576 20 0 GFADRO C[C@H](CNC(=O)c1cc(=O)[nH]c2c(Br)cccc12)[NH+]1CCCC1 ZINC000530941448 655420600 /nfs/dbraw/zinc/42/06/00/655420600.db2.gz DWMHGEMQLKFXRB-LLVKDONJSA-N 1 0 378.270 2.917 20 0 GFADRO NC(=O)[C@H]1CCC[N@H+](Cc2ccc(NC(=O)CSC(F)(F)F)cc2)C1 ZINC000195524779 655420995 /nfs/dbraw/zinc/42/09/95/655420995.db2.gz MQLUXTRKTUFVIA-LBPRGKRZSA-N 1 0 375.416 2.575 20 0 GFADRO CCNS(=O)(=O)CC[NH2+][C@@H](C)c1cc2cc(Br)ccc2o1 ZINC000224726545 655422627 /nfs/dbraw/zinc/42/26/27/655422627.db2.gz XIILHNCLXPBIQV-JTQLQIEISA-N 1 0 375.288 2.785 20 0 GFADRO COc1cc(C)c(Br)cc1S(=O)(=O)N1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000237094280 655425698 /nfs/dbraw/zinc/42/56/98/655425698.db2.gz TXQUJKMHSFXUKL-DGCLKSJQSA-N 1 0 391.331 2.657 20 0 GFADRO C[C@@H]([NH2+]CCS(=O)(=O)c1cccc(Br)c1)c1cc[nH]c(=O)c1 ZINC000574192334 655426136 /nfs/dbraw/zinc/42/61/36/655426136.db2.gz CUHQPZRCXIIFCI-LLVKDONJSA-N 1 0 385.283 2.674 20 0 GFADRO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)CN1C(=S)N=NC1c1ccc(Cl)cc1 ZINC000237919162 655426687 /nfs/dbraw/zinc/42/66/87/655426687.db2.gz MCLVKKIHMSKRKK-GXTWGEPZSA-N 1 0 379.917 2.521 20 0 GFADRO [NH3+]C1CCC(NC(=O)c2ccc(Cl)c(I)c2)CC1 ZINC000237858400 655426730 /nfs/dbraw/zinc/42/67/30/655426730.db2.gz IVNGHVVAHKFLEG-UHFFFAOYSA-N 1 0 378.641 2.944 20 0 GFADRO O=C(C[C@H]1CSCC[NH2+]1)N(Cc1ccccc1)C[C@H](O)c1cccs1 ZINC000237997804 655426841 /nfs/dbraw/zinc/42/68/41/655426841.db2.gz XYOQYEYNFFJRCV-IRXDYDNUSA-N 1 0 376.547 2.905 20 0 GFADRO O=C(NCC1=CC[NH2+]CC1)N1CCC[C@H](Nc2cccc(Br)c2)C1 ZINC000574261802 655427459 /nfs/dbraw/zinc/42/74/59/655427459.db2.gz YGXRLSLQGMXCPX-KRWDZBQOSA-N 1 0 393.329 2.955 20 0 GFADRO C[NH+](C)CCCCNS(=O)(=O)c1cccc(NC(=O)c2cccs2)c1 ZINC000574301277 655428482 /nfs/dbraw/zinc/42/84/82/655428482.db2.gz NYYNPQLXLQOUHT-UHFFFAOYSA-N 1 0 381.523 2.621 20 0 GFADRO O[C@H](COc1cc(Cl)ccc1Cl)C[N@@H+]1CCC[C@@H](C2OCCO2)C1 ZINC000246116378 655429144 /nfs/dbraw/zinc/42/91/44/655429144.db2.gz MQSFIDDVMYKBOS-OCCSQVGLSA-N 1 0 376.280 2.818 20 0 GFADRO C[C@@H]([NH2+][C@@H]1CCC(=O)N(C)[C@H]1c1ccnn1C)c1cncc(Br)c1 ZINC000574771762 655430349 /nfs/dbraw/zinc/43/03/49/655430349.db2.gz YJNDJPYGTUEEJH-JDSLSITLSA-N 1 0 392.301 2.590 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)c(C)c1CNC[C@H]1C[NH2+]CCCO1 ZINC000574904636 655433346 /nfs/dbraw/zinc/43/33/46/655433346.db2.gz QKSDANKEMUZEQJ-QGZVFWFLSA-N 1 0 393.329 2.720 20 0 GFADRO CSCC[C@H]1NC(=S)N([C@@H](C[N@H+](C)Cc2ccccc2)C(C)C)C1=O ZINC000248982614 655433680 /nfs/dbraw/zinc/43/36/80/655433680.db2.gz JDVAGXWDJWKBTK-SJORKVTESA-N 1 0 379.595 2.981 20 0 GFADRO C[C@@H]1CN(C(=O)C[C@@H](O)c2cc(Cl)cc(Cl)c2)CC[N@@H+]1CC(C)(C)O ZINC000249296711 655433994 /nfs/dbraw/zinc/43/39/94/655433994.db2.gz BKGZLTOZGUMLCJ-MLGOLLRUSA-N 1 0 389.323 2.721 20 0 GFADRO C[C@H](NC(=O)N[C@@H](c1cncc(Br)c1)C1CC1)[C@H]1CCC[NH2+]C1 ZINC000575108861 655435818 /nfs/dbraw/zinc/43/58/18/655435818.db2.gz NDYQAHFKZZBRQR-DETPVDSQSA-N 1 0 381.318 2.983 20 0 GFADRO O=S(=O)(Cc1cccc(Br)c1)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000575181242 655436946 /nfs/dbraw/zinc/43/69/46/655436946.db2.gz WWNCSWRNLXUINO-LSDHHAIUSA-N 1 0 387.343 2.600 20 0 GFADRO COc1cc2c(cc1C[NH2+]CCn1cc(Br)ccc1=O)O[C@H](C)C2 ZINC000575953271 655440710 /nfs/dbraw/zinc/44/07/10/655440710.db2.gz RHRQLVJOKSTMRZ-GFCCVEGCSA-N 1 0 393.281 2.733 20 0 GFADRO C[NH2+][C@@H]1CCCN(C(=O)[C@@H](c2ccc(Cl)cc2Cl)N2CCOCC2)C1 ZINC000261677139 655441735 /nfs/dbraw/zinc/44/17/35/655441735.db2.gz HAOAOSUJANVCHH-RHSMWYFYSA-N 1 0 386.323 2.577 20 0 GFADRO O=C(CCOCC(F)(F)F)NC[C@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000576084934 655442887 /nfs/dbraw/zinc/44/28/87/655442887.db2.gz SARHYNYKZHRNEP-HNNXBMFYSA-N 1 0 376.444 2.689 20 0 GFADRO OC[C@@H](C[NH2+]C[C@H](O)COc1ccc(Br)cc1)c1ccccc1 ZINC000576160165 655444826 /nfs/dbraw/zinc/44/48/26/655444826.db2.gz ZUDJTBJWJNSGKC-WBVHZDCISA-N 1 0 380.282 2.555 20 0 GFADRO COC(=O)c1cc(Br)cc(C(=O)NC[C@H]2CC[N@@H+](C(C)C)C2)c1 ZINC000576323319 655445501 /nfs/dbraw/zinc/44/55/01/655445501.db2.gz APDCYPGJTLKVIV-GFCCVEGCSA-N 1 0 383.286 2.696 20 0 GFADRO CC(C)[N@@H+]1CC[C@H](N(C)Cn2c(=O)oc3cc(F)c(Br)cc32)C1 ZINC000840155264 661141929 /nfs/dbraw/zinc/14/19/29/661141929.db2.gz VYLINWFBYNXGLR-NSHDSACASA-N 1 0 386.265 2.868 20 0 GFADRO [NH3+][C@H](CC(F)F)C(=O)NCc1cc(Br)ccc1Br ZINC000576582055 655449416 /nfs/dbraw/zinc/44/94/16/655449416.db2.gz QIGLSIKNCTXDIC-SECBINFHSA-N 1 0 386.034 2.810 20 0 GFADRO CCN(Cc1cccc(Br)c1)S(=O)(=O)CC[NH+](CC)CC ZINC000576744087 655452055 /nfs/dbraw/zinc/45/20/55/655452055.db2.gz SVJWBRMZXOIMKV-UHFFFAOYSA-N 1 0 377.348 2.943 20 0 GFADRO [NH3+]C[C@@H]1c2ccccc2CCN1S(=O)(=O)c1ccc(F)cc1Br ZINC000576874561 655453661 /nfs/dbraw/zinc/45/36/61/655453661.db2.gz VKMYGPOSLUKPIU-OAHLLOKOSA-N 1 0 399.285 2.835 20 0 GFADRO C[C@H]([NH3+])C[C@H](C)NC(=O)NCc1cnn(-c2ccc(Br)cc2)c1 ZINC000576872177 655453666 /nfs/dbraw/zinc/45/36/66/655453666.db2.gz YBGPUIXWIFUIKC-RYUDHWBXSA-N 1 0 380.290 2.560 20 0 GFADRO C[NH+](C)Cc1ccc(C(=O)N[C@H](CO)c2ccc(Br)c(F)c2)cn1 ZINC000576931050 655455102 /nfs/dbraw/zinc/45/51/02/655455102.db2.gz YTIREAXSIMDUAM-MRXNPFEDSA-N 1 0 396.260 2.508 20 0 GFADRO CN1C[C@H]([N@H+](C)Cc2ccnc(-c3ccc(Br)cc3)n2)CCC1=O ZINC000576954265 655455229 /nfs/dbraw/zinc/45/52/29/655455229.db2.gz HHAQUAMTHDZROY-MRXNPFEDSA-N 1 0 389.297 2.959 20 0 GFADRO Cc1ccc(I)cc1NC(=O)c1cc([C@H]2CC[NH2+]C2)[nH]n1 ZINC000577074198 655457125 /nfs/dbraw/zinc/45/71/25/655457125.db2.gz LVMLWAFKIRIJCN-JTQLQIEISA-N 1 0 396.232 2.652 20 0 GFADRO CC(C)C(=O)NC[C@@H]1CCC[N@H+](C[C@@H](O)c2ccc(Br)cc2)C1 ZINC000264127537 655457642 /nfs/dbraw/zinc/45/76/42/655457642.db2.gz NICVNAPJYJKKOT-WMLDXEAASA-N 1 0 383.330 2.967 20 0 GFADRO COc1cc(C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)cc(Br)c1OC ZINC000577365093 655457647 /nfs/dbraw/zinc/45/76/47/655457647.db2.gz FWTUMTIXAHNNJQ-AWEZNQCLSA-N 1 0 385.302 2.974 20 0 GFADRO C[C@H](NC(=O)c1ncc(Br)cc1Br)[C@H]1CCC[NH2+]C1 ZINC000577621518 655463029 /nfs/dbraw/zinc/46/30/29/655463029.db2.gz PWQYMSPJGKXEFE-IUCAKERBSA-N 1 0 391.107 2.725 20 0 GFADRO C[C@H]1CCN(Cc2csc(-c3ccc(S(C)(=O)=O)cc3)n2)C[C@@H]1C[NH3+] ZINC000577638197 655463474 /nfs/dbraw/zinc/46/34/74/655463474.db2.gz PSOBRDTZBZUIIA-ZFWWWQNUSA-N 1 0 379.551 2.630 20 0 GFADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)c1csc(-c2ccccc2Cl)n1 ZINC000264444937 655463905 /nfs/dbraw/zinc/46/39/05/655463905.db2.gz OOLYFZQLFMJFSU-ZDUSSCGKSA-N 1 0 378.929 2.829 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)NCCCC[NH+](C)C ZINC000264486002 655464853 /nfs/dbraw/zinc/46/48/53/655464853.db2.gz YUVPUCZEZQPHEX-OAHLLOKOSA-N 1 0 386.583 2.809 20 0 GFADRO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000264497066 655465122 /nfs/dbraw/zinc/46/51/22/655465122.db2.gz HNTSGPHSWIGQPE-KRWDZBQOSA-N 1 0 380.330 2.691 20 0 GFADRO C[C@@H]([NH2+]CCCN1C(=O)NC2(CCCC2)C1=O)c1cncc(Br)c1 ZINC000577769703 655466731 /nfs/dbraw/zinc/46/67/31/655466731.db2.gz UDXQKUQXCBBUDX-GFCCVEGCSA-N 1 0 395.301 2.749 20 0 GFADRO C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)N(C)CCCN1CC[NH+](C)CC1 ZINC000264600775 655466954 /nfs/dbraw/zinc/46/69/54/655466954.db2.gz DKDWHFUXFRCGJC-CQSZACIVSA-N 1 0 388.339 2.857 20 0 GFADRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N1CCO[C@H](c2cccc(Br)c2)C1 ZINC000577942491 655469844 /nfs/dbraw/zinc/46/98/44/655469844.db2.gz JSZJBBBWNAIZMK-KCXAZCMYSA-N 1 0 382.302 2.530 20 0 GFADRO CCO[C@H]1C[C@@H]([NH2+]C[C@@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000578006538 655470948 /nfs/dbraw/zinc/47/09/48/655470948.db2.gz IQZXUINJGTYNSQ-UPJWGTAASA-N 1 0 378.694 2.999 20 0 GFADRO OC[C@@H](C[NH2+]C[C@H](O)COc1cccc(Br)c1)c1ccc(F)cc1 ZINC000578013115 655471204 /nfs/dbraw/zinc/47/12/04/655471204.db2.gz CVLPCCQWEXWJTR-PBHICJAKSA-N 1 0 398.272 2.694 20 0 GFADRO COCC[N@H+](C)C[C@H](O)CSc1nnc(Nc2ccc(C)c(C)c2)s1 ZINC000578026164 655471447 /nfs/dbraw/zinc/47/14/47/655471447.db2.gz KZIJMRABFAKMHO-HNNXBMFYSA-N 1 0 382.555 2.930 20 0 GFADRO COc1ccc(I)c(NC(=O)[C@@H](C(C)C)[C@H](C)[NH3+])c1 ZINC000578185989 655473679 /nfs/dbraw/zinc/47/36/79/655473679.db2.gz BSCGWZRCQWZNSE-ZANVPECISA-N 1 0 376.238 2.858 20 0 GFADRO O[C@H](CNCc1csc(COc2ccc(Cl)cc2)n1)C[NH+]1CCCC1 ZINC000264944797 655474372 /nfs/dbraw/zinc/47/43/72/655474372.db2.gz HVGNIWRTNMTOPY-MRXNPFEDSA-N 1 0 381.929 2.922 20 0 GFADRO [NH3+]CCC1CCN(C(=O)C(=O)Nc2ccc(Br)cc2Cl)CC1 ZINC000578243054 655474861 /nfs/dbraw/zinc/47/48/61/655474861.db2.gz ZUFHILVNHZOZHX-UHFFFAOYSA-N 1 0 388.693 2.628 20 0 GFADRO Cn1nc(Br)c2c1ncnc2NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000265180479 655478539 /nfs/dbraw/zinc/47/85/39/655478539.db2.gz DSXDQKQXSQFULM-UHFFFAOYSA-N 1 0 393.264 2.939 20 0 GFADRO O=C(NCCOc1cccc(Cl)c1Cl)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000578433801 655478825 /nfs/dbraw/zinc/47/88/25/655478825.db2.gz FRBHQKMMHJOPQQ-ZDUSSCGKSA-N 1 0 383.279 2.923 20 0 GFADRO O=C(NCCOc1cccc(Cl)c1Cl)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000578433800 655478867 /nfs/dbraw/zinc/47/88/67/655478867.db2.gz FRBHQKMMHJOPQQ-CYBMUJFWSA-N 1 0 383.279 2.923 20 0 GFADRO O=C(/C=C/c1csc(Br)c1)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000265276202 655480194 /nfs/dbraw/zinc/48/01/94/655480194.db2.gz NGIPSUNRCXLUCK-ONEGZZNKSA-N 1 0 398.370 2.764 20 0 GFADRO CC[NH+](CC)CCNC(=O)c1ccc(OC(=O)[C@H]2CSCCS2)cc1 ZINC000265278177 655480205 /nfs/dbraw/zinc/48/02/05/655480205.db2.gz OBCSYIBCKMYSLC-MRXNPFEDSA-N 1 0 382.551 2.512 20 0 GFADRO C[NH+](C)CCCCNC(=O)CCC[S@@](=O)c1ccc(Br)cc1 ZINC000265356297 655481836 /nfs/dbraw/zinc/48/18/36/655481836.db2.gz LEPKAAWHJOAURU-JOCHJYFZSA-N 1 0 389.359 2.795 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1cccc(C2SCCS2)c1 ZINC000265398146 655482859 /nfs/dbraw/zinc/48/28/59/655482859.db2.gz OHOUZBLUAMTBLB-OAHLLOKOSA-N 1 0 379.551 2.704 20 0 GFADRO [NH3+][C@H]1CCN(C(=O)NCCOc2ccc3cc(Br)ccc3c2)C1 ZINC000578624180 655483214 /nfs/dbraw/zinc/48/32/14/655483214.db2.gz VNNNMWVVJNGNES-HNNXBMFYSA-N 1 0 378.270 2.724 20 0 GFADRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)Nc3cnn(-c4ncc(Cl)cc4Cl)c3)C[C@H]12 ZINC000579448735 655499855 /nfs/dbraw/zinc/49/98/55/655499855.db2.gz PPLFSBFOPQUGRT-DUFXMDAXSA-N 1 0 381.267 2.775 20 0 GFADRO O=S(=O)(N[C@@H]1C[NH2+]C[C@H]1c1ccccc1)c1ccc(Br)c(F)c1 ZINC000579454422 655499953 /nfs/dbraw/zinc/49/99/53/655499953.db2.gz CZMNLMBCMPDFEU-XJKSGUPXSA-N 1 0 399.285 2.622 20 0 GFADRO O=C(N[C@H]1CCOc2c(Br)cccc21)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000579572254 655501663 /nfs/dbraw/zinc/50/16/63/655501663.db2.gz QOZYYPOVQJIOGT-WMLDXEAASA-N 1 0 380.286 2.668 20 0 GFADRO [NH3+]C[C@@H]1c2ccccc2CCN1S(=O)(=O)Cc1ccc(Br)cc1 ZINC000579832651 655504559 /nfs/dbraw/zinc/50/45/59/655504559.db2.gz MXKZKQVXLSLDFN-QGZVFWFLSA-N 1 0 395.322 2.837 20 0 GFADRO O=S(=O)(c1cc(Cl)ccc1OCC1CCC1)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000579832844 655504562 /nfs/dbraw/zinc/50/45/62/655504562.db2.gz XAVMKZZAFMHDQL-CABCVRRESA-N 1 0 384.929 2.749 20 0 GFADRO CN(CC[NH+](C)C)C(=O)C(=O)NCC1(c2ccc(Cl)cc2Cl)CCC1 ZINC000580059536 655507546 /nfs/dbraw/zinc/50/75/46/655507546.db2.gz MUYFFNKOPIGXNT-UHFFFAOYSA-N 1 0 386.323 2.551 20 0 GFADRO Cc1cccc(S(=O)(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1Br ZINC000580073587 655507956 /nfs/dbraw/zinc/50/79/56/655507956.db2.gz PJYKDFYCUXZYIX-UONOGXRCSA-N 1 0 387.343 2.768 20 0 GFADRO COc1cc(CCNS(=O)(=O)c2ccc(C[NH+](C)C)cc2)ccc1Cl ZINC000580336017 655511136 /nfs/dbraw/zinc/51/11/36/655511136.db2.gz VMWJCYOOJPXYJP-UHFFFAOYSA-N 1 0 382.913 2.931 20 0 GFADRO CS[C@@H]1CN(C(=O)c2cncc(Br)c2C)C[C@@H]1[NH+]1CCCC1 ZINC000597511287 655521072 /nfs/dbraw/zinc/52/10/72/655521072.db2.gz XVOOFOXCFOEZIA-LSDHHAIUSA-N 1 0 384.343 2.804 20 0 GFADRO Cn1nc2cc(Br)ccc2c1C(=O)N1CCCC[C@@H]1C[NH+](C)C ZINC000648768823 655521439 /nfs/dbraw/zinc/52/14/39/655521439.db2.gz VFIUVHJADVAYFG-CYBMUJFWSA-N 1 0 379.302 2.892 20 0 GFADRO COc1cc(I)c(Cl)cc1C(=O)N1CC[C@](C)([NH3+])C1 ZINC000706045513 655522130 /nfs/dbraw/zinc/52/21/30/655522130.db2.gz PKKCTNORLFEHRW-ZDUSSCGKSA-N 1 0 394.640 2.517 20 0 GFADRO COc1cc(I)c(Cl)cc1C(=O)N1CC[C@@](C)([NH3+])C1 ZINC000706045511 655522153 /nfs/dbraw/zinc/52/21/53/655522153.db2.gz PKKCTNORLFEHRW-CYBMUJFWSA-N 1 0 394.640 2.517 20 0 GFADRO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(F)c1I ZINC000718895788 655524283 /nfs/dbraw/zinc/52/42/83/655524283.db2.gz ZLSTUBAEVIKKBT-WDEREUQCSA-N 1 0 388.224 2.739 20 0 GFADRO CC[NH+](CC)[C@H](C)CNS(=O)(=O)c1c(OC)ccc2nc(Cl)ccc21 ZINC000725821506 655526818 /nfs/dbraw/zinc/52/68/18/655526818.db2.gz FVTOXPOIWOSGGK-GFCCVEGCSA-N 1 0 385.917 2.905 20 0 GFADRO CC[NH+]1CCC(CNC(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)CC1 ZINC000726278707 655532726 /nfs/dbraw/zinc/53/27/26/655532726.db2.gz MFRNFEBVYKCLFK-UHFFFAOYSA-N 1 0 375.441 2.536 20 0 GFADRO COc1ccc2nc(Cl)ccc2c1S(=O)(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000727835970 655550241 /nfs/dbraw/zinc/55/02/41/655550241.db2.gz DWBXSOYUIOFPFV-NSHDSACASA-N 1 0 383.901 2.658 20 0 GFADRO CN(C)S(=O)(=O)CCC[N@@H+]1CCC[C@@H]1Cc1ccc(Br)cc1 ZINC000728688026 655558337 /nfs/dbraw/zinc/55/83/37/655558337.db2.gz AIIRPMIMBYBINT-MRXNPFEDSA-N 1 0 389.359 2.738 20 0 GFADRO O[C@H](C[NH2+]C[C@H](O)c1ccc(Br)cc1)COc1ccc(F)cc1 ZINC000728942810 655560450 /nfs/dbraw/zinc/56/04/50/655560450.db2.gz QDYSWFFXAZSNLV-WBVHZDCISA-N 1 0 384.245 2.651 20 0 GFADRO CCN(Cc1ccccc1Br)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000729504692 655565439 /nfs/dbraw/zinc/56/54/39/655565439.db2.gz KCPMCGRPSBFAJB-JKSUJKDBSA-N 1 0 396.329 2.844 20 0 GFADRO CCOc1ccc(Br)cc1NC(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000729568868 655565940 /nfs/dbraw/zinc/56/59/40/655565940.db2.gz GMAQNHGMFFOXDO-KBPBESRZSA-N 1 0 398.301 2.833 20 0 GFADRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)CN1C(=S)N=NC1c1cccs1 ZINC000730785080 655577863 /nfs/dbraw/zinc/57/78/63/655577863.db2.gz DEAKWZSDTDWMLX-BETUJISGSA-N 1 0 379.555 2.674 20 0 GFADRO C[N@H+](CCc1ccc(S(N)(=O)=O)cc1)Cc1cccc(Br)c1 ZINC000730937902 655579494 /nfs/dbraw/zinc/57/94/94/655579494.db2.gz KAEFAWVJFZNFKZ-UHFFFAOYSA-N 1 0 383.311 2.771 20 0 GFADRO O=S(=O)(/C=C\c1ccc(Br)cc1)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000731038621 655580850 /nfs/dbraw/zinc/58/08/50/655580850.db2.gz IGCSBBCAMZIEQS-SIJIIQCFSA-N 1 0 385.327 2.824 20 0 GFADRO CC[N@@H+]1CCCC[C@H]1CNC(=O)CCN1C(=S)N=NC1c1cccs1 ZINC000731872848 655588099 /nfs/dbraw/zinc/58/80/99/655588099.db2.gz GLAQOBYQTZZFPZ-ZDUSSCGKSA-N 1 0 379.555 2.676 20 0 GFADRO O=C(Nc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)c1scnc1Cl ZINC000732741922 655601010 /nfs/dbraw/zinc/60/10/10/655601010.db2.gz DANXMQWOKMYBCR-UHFFFAOYSA-N 1 0 378.885 2.874 20 0 GFADRO CC(C)[C@@H](C[NH+](C)C)NC(=O)[C@@H]1CCN(c2ccccc2Br)C1=O ZINC000733166012 655608524 /nfs/dbraw/zinc/60/85/24/655608524.db2.gz NNISQCDTDVTGFP-DZGCQCFKSA-N 1 0 396.329 2.504 20 0 GFADRO CC(C)[C@H](C[NH+](C)C)NC(=O)[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000733169058 655608687 /nfs/dbraw/zinc/60/86/87/655608687.db2.gz YNVBMTLPEHQIDT-HOTGVXAUSA-N 1 0 396.329 2.504 20 0 GFADRO O=C(NCc1cccc(Br)c1)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000734274132 655628698 /nfs/dbraw/zinc/62/86/98/655628698.db2.gz RJWXJIDBYHSINF-KRWDZBQOSA-N 1 0 396.329 2.892 20 0 GFADRO O=C(/C=C/c1ccc(Br)o1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000736050158 655657450 /nfs/dbraw/zinc/65/74/50/655657450.db2.gz RXLNVJWYVVHRDV-DUXPYHPUSA-N 1 0 383.286 2.626 20 0 GFADRO Cc1nc(-c2ccc(Br)cc2)nn1CN1CCC[C@@H]([NH+](C)C)C1 ZINC000738144409 655685850 /nfs/dbraw/zinc/68/58/50/655685850.db2.gz PMOYZJCTLITNTR-MRXNPFEDSA-N 1 0 378.318 3.000 20 0 GFADRO Cc1ccc(/C=C\C(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)c(Br)c1 ZINC000742107116 655710191 /nfs/dbraw/zinc/71/01/91/655710191.db2.gz FTGLGDRHYKDZFZ-AWFCHZOYSA-N 1 0 393.325 2.951 20 0 GFADRO Cc1cc(S(=O)(=O)N2CC[C@@H]([N@H+](C)Cc3ccccc3)C2)cnc1Cl ZINC000742334376 655716322 /nfs/dbraw/zinc/71/63/22/655716322.db2.gz OZJDSTJFFCUDEF-MRXNPFEDSA-N 1 0 379.913 2.938 20 0 GFADRO C[C@H](CNC(=O)C(=O)Nc1ccc(F)c(Br)c1)[NH+]1CCCCC1 ZINC000743895592 655732572 /nfs/dbraw/zinc/73/25/72/655732572.db2.gz ROWDKKVVTGXJQB-LLVKDONJSA-N 1 0 386.265 2.517 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)NCC[N@H+]1CCC[C@@H]1C ZINC000743979278 655733410 /nfs/dbraw/zinc/73/34/10/655733410.db2.gz FQFBHNLBGPJPLH-ZDUSSCGKSA-N 1 0 382.302 2.605 20 0 GFADRO C[C@H]1CCC[N@@H+]1CCNC(=O)c1cc(=O)[nH]c2ccc(Br)cc21 ZINC000744349546 655739294 /nfs/dbraw/zinc/73/92/94/655739294.db2.gz KRZOMRNOLCHWOP-NSHDSACASA-N 1 0 378.270 2.917 20 0 GFADRO COC(=O)Nc1cccc(C[NH2+][C@H](C)Cn2cc(Br)ccc2=O)c1 ZINC000840748608 661182884 /nfs/dbraw/zinc/18/28/84/661182884.db2.gz BMCVSDADGSGSSZ-GFCCVEGCSA-N 1 0 394.269 2.967 20 0 GFADRO CCN(Cc1cccc(Br)c1)CN1C(=O)N[C@@](C)(C2CC2)C1=O ZINC000746026826 655757695 /nfs/dbraw/zinc/75/76/95/655757695.db2.gz RVMGGAWOCUBYCV-KRWDZBQOSA-N 1 0 380.286 2.949 20 0 GFADRO C[NH+]1CCN(c2ccccc2NC(=O)c2ccc(Br)nc2)CC1 ZINC000746508783 655762964 /nfs/dbraw/zinc/76/29/64/655762964.db2.gz PHYDZFZLQUEKRJ-UHFFFAOYSA-N 1 0 375.270 2.848 20 0 GFADRO CCCC1N=NC(=S)N1CC(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000746635779 655765318 /nfs/dbraw/zinc/76/53/18/655765318.db2.gz KDPLGGOYKDHBIS-CQSZACIVSA-N 1 0 381.933 2.592 20 0 GFADRO Cc1ccc(OCCC(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)c(Br)c1 ZINC000747229767 655774387 /nfs/dbraw/zinc/77/43/87/655774387.db2.gz LPPXDWZYOYCEGR-LSDHHAIUSA-N 1 0 397.313 2.506 20 0 GFADRO O=C(CCCOc1cccc(Br)c1)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000747234343 655774556 /nfs/dbraw/zinc/77/45/56/655774556.db2.gz QGMBYSLWTHZINT-WBVHZDCISA-N 1 0 397.313 2.588 20 0 GFADRO O=S(=O)(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000747328894 655777022 /nfs/dbraw/zinc/77/70/22/655777022.db2.gz QKYDRSCYUDIVSG-QWRGUYRKSA-N 1 0 398.834 2.500 20 0 GFADRO CCN(C[C@@H]1CCN(C(=S)NC[C@H]2CCC[N@@H+]2CC)C1)CC(F)(F)F ZINC000748084502 655787187 /nfs/dbraw/zinc/78/71/87/655787187.db2.gz IWRPODYVIRDSGT-LSDHHAIUSA-N 1 0 380.524 2.551 20 0 GFADRO CNC(=O)c1ccc(C[NH2+]CC(=O)Nc2cc(Br)ccc2C)cc1 ZINC000749263051 655802305 /nfs/dbraw/zinc/80/23/05/655802305.db2.gz BOURWIPZCBDAKK-UHFFFAOYSA-N 1 0 390.281 2.845 20 0 GFADRO C[C@@H]1CCC[N@@H+]1CCNC(=O)c1cccc(F)c1I ZINC000749934945 655809160 /nfs/dbraw/zinc/80/91/60/655809160.db2.gz LFQWXYVPXDUBDH-SNVBAGLBSA-N 1 0 376.213 2.644 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)[C@@H]1CSCN1C(=O)OC(C)(C)C)c1ccsc1 ZINC000750853634 655818084 /nfs/dbraw/zinc/81/80/84/655818084.db2.gz GCKSGONWUQXSOD-KGLIPLIRSA-N 1 0 385.555 2.777 20 0 GFADRO O[C@@H](C[NH2+]C[C@@H](O)c1ccccc1Br)COc1ccc(F)cc1 ZINC000751574291 655831070 /nfs/dbraw/zinc/83/10/70/655831070.db2.gz HZOBBIRJKBYLFX-SUMWQHHRSA-N 1 0 384.245 2.651 20 0 GFADRO COc1ccc(OC)c([C@@H](O)C[NH2+]C[C@H](O)c2ccccc2Br)c1 ZINC000751570359 655831098 /nfs/dbraw/zinc/83/10/98/655831098.db2.gz OLYHXPVBEJCBBC-IRXDYDNUSA-N 1 0 396.281 2.823 20 0 GFADRO COC(=O)CC[N@H+](C[C@@H](O)c1ccccc1Br)C[C@@H]1CCCO1 ZINC000751989423 655837971 /nfs/dbraw/zinc/83/79/71/655837971.db2.gz FJPIZPGKTZDTRQ-XJKSGUPXSA-N 1 0 386.286 2.527 20 0 GFADRO O=C(/C=C\c1ccc(Br)o1)N1CC[C@@H](OCC[NH+]2CCCC2)C1 ZINC000752101383 655839618 /nfs/dbraw/zinc/83/96/18/655839618.db2.gz JHLMTRZCBVYIMP-ZDTYVGOBSA-N 1 0 383.286 2.769 20 0 GFADRO C[N@@H+]1CCC[C@H](CNC(=O)c2cnn(-c3ccccc3)c2Br)C1 ZINC000753816795 655859246 /nfs/dbraw/zinc/85/92/46/655859246.db2.gz BTXXFGXMBWIOKX-CYBMUJFWSA-N 1 0 377.286 2.706 20 0 GFADRO O=C(C[NH2+][C@H](CCO)c1cccs1)Nc1ccnn1Cc1cccs1 ZINC000754381261 655867103 /nfs/dbraw/zinc/86/71/03/655867103.db2.gz CMEIZERSNNDUFK-CQSZACIVSA-N 1 0 376.507 2.706 20 0 GFADRO CCOC(=O)c1sc(NC(=O)C[NH2+][C@H](CCO)c2cccs2)cc1C ZINC000754389468 655867130 /nfs/dbraw/zinc/86/71/30/655867130.db2.gz RIUMEOSVRYXINP-GFCCVEGCSA-N 1 0 382.507 2.947 20 0 GFADRO C[NH+](C)[C@@]1(CNC(=O)Nc2ccc([S@](=O)C(F)(F)F)cc2)CCSC1 ZINC000754449888 655867810 /nfs/dbraw/zinc/86/78/10/655867810.db2.gz HGWUAULBYOUEKY-PWECECGKSA-N 1 0 395.472 2.873 20 0 GFADRO C[C@H]1CCC[N@@H+]1CCNS(=O)(=O)c1cccc(Cl)c1Br ZINC000755136663 655880142 /nfs/dbraw/zinc/88/01/42/655880142.db2.gz VAMBPXSJQUOECI-JTQLQIEISA-N 1 0 381.723 2.865 20 0 GFADRO CC(C)c1nn(C)c(Cl)c1C[NH2+]C1CCN(S(=O)(=O)C(C)(C)C)CC1 ZINC000755219931 655881265 /nfs/dbraw/zinc/88/12/65/655881265.db2.gz LPRCVYUMSLWQDB-UHFFFAOYSA-N 1 0 390.981 2.879 20 0 GFADRO Cc1ccc(C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)c(Br)n1 ZINC000755904370 655891080 /nfs/dbraw/zinc/89/10/80/655891080.db2.gz OMWHNIFXDFUZQF-CQSZACIVSA-N 1 0 382.302 2.526 20 0 GFADRO CC(C)[C@H]1CC[N@H+](CN2C(=O)C(=O)N(c3ccc(Br)cc3)C2=O)C1 ZINC000755920677 655891237 /nfs/dbraw/zinc/89/12/37/655891237.db2.gz CMTSQOVPPBLCRP-LBPRGKRZSA-N 1 0 394.269 2.680 20 0 GFADRO CC(C)(C)S(=O)(=O)N1CCC([NH2+][C@@H]2CC[C@@H]3SCCS[C@@H]23)CC1 ZINC000756047901 655893731 /nfs/dbraw/zinc/89/37/31/655893731.db2.gz CRZMEXLUXPCMBO-ILXRZTDVSA-N 1 0 378.629 2.548 20 0 GFADRO Cc1ccc(N2N=C(Br)C[C@H]2C(=O)N[C@H](C)CC[NH+](C)C)cc1 ZINC000756103841 655895039 /nfs/dbraw/zinc/89/50/39/655895039.db2.gz VKXPVDISUFJQHM-HIFRSBDPSA-N 1 0 381.318 2.739 20 0 GFADRO COC(=O)N1CCC([NH2+]CCC(=O)Nc2cc(Br)ccc2C)CC1 ZINC000756898153 655906718 /nfs/dbraw/zinc/90/67/18/655906718.db2.gz BITAMEPTSQBWMB-UHFFFAOYSA-N 1 0 398.301 2.907 20 0 GFADRO CC[N@H+](CCNC(=O)c1cc(F)cc2[nH]c(=S)[nH]c21)CCC(F)(F)F ZINC000757617881 655913871 /nfs/dbraw/zinc/91/38/71/655913871.db2.gz KIQFDCNLNHILNF-UHFFFAOYSA-N 1 0 378.395 2.995 20 0 GFADRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)Nc1ccc(I)cc1 ZINC000757793267 655916629 /nfs/dbraw/zinc/91/66/29/655916629.db2.gz IEYGDOCPPNTYJR-IINYFYTJSA-N 1 0 385.249 2.895 20 0 GFADRO CC[C@H](Cc1ccccc1Br)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000758158447 655924568 /nfs/dbraw/zinc/92/45/68/655924568.db2.gz XHXICZXEXFMXOE-HYVNUMGLSA-N 1 0 395.341 2.997 20 0 GFADRO O=C(NC[C@H]1CC1(Cl)Cl)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000758262588 655927659 /nfs/dbraw/zinc/92/76/59/655927659.db2.gz CANSGKHVUUWMBX-CVEARBPZSA-N 1 0 386.323 2.771 20 0 GFADRO C[C@H](C1CC[NH+](C)CC1)N(C)S(=O)(=O)c1ccc2nc(Cl)cnc2c1 ZINC000758537616 655935087 /nfs/dbraw/zinc/93/50/87/655935087.db2.gz FMDPSWNJCJSGCP-GFCCVEGCSA-N 1 0 382.917 2.634 20 0 GFADRO C[NH+](C)[C@@]1(CNC(=O)NCCSCc2ccnc(Cl)c2)CCSC1 ZINC000758557312 655935522 /nfs/dbraw/zinc/93/55/22/655935522.db2.gz GGXOFXXFAXCCLM-MRXNPFEDSA-N 1 0 388.990 2.705 20 0 GFADRO C[NH+](C)CCNC(=S)N1CCC(Oc2cccc(Br)c2)CC1 ZINC000758927589 655943476 /nfs/dbraw/zinc/94/34/76/655943476.db2.gz PUGUSEWYRNZGTF-UHFFFAOYSA-N 1 0 386.359 2.728 20 0 GFADRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)c1c(Cl)nc2sccn21 ZINC000759790718 655963181 /nfs/dbraw/zinc/96/31/81/655963181.db2.gz PMBDMPXTYFYAIM-TUAOUCFPSA-N 1 0 390.962 2.694 20 0 GFADRO COCCS(=O)(=O)c1ccc(C[NH2+][C@@H]2CC[C@H]3SCCS[C@H]23)cc1 ZINC000760030402 655967740 /nfs/dbraw/zinc/96/77/40/655967740.db2.gz RGGXVGKTUPTVBD-BRWVUGGUSA-N 1 0 387.592 2.576 20 0 GFADRO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)C2SCCS2)CC1 ZINC000760215224 655972763 /nfs/dbraw/zinc/97/27/63/655972763.db2.gz OWOBUBOCWYMGNR-ZDUSSCGKSA-N 1 0 383.558 2.951 20 0 GFADRO O=C(NCCCC[NH+]1CCN(c2ncccn2)CC1)c1cc(Cl)cs1 ZINC000760257969 655973965 /nfs/dbraw/zinc/97/39/65/655973965.db2.gz DRPPSTCPKYYFML-UHFFFAOYSA-N 1 0 379.917 2.524 20 0 GFADRO C[C@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)c1cnn(C)c1Br ZINC000760346969 655976649 /nfs/dbraw/zinc/97/66/49/655976649.db2.gz SUCCMUIPMZSJDY-AWEZNQCLSA-N 1 0 391.313 2.919 20 0 GFADRO C[NH+]1CCC(CNC(=S)NCCc2ccc(Br)cc2F)CC1 ZINC000760487137 655982480 /nfs/dbraw/zinc/98/24/80/655982480.db2.gz UDURGAUSWMWUIL-UHFFFAOYSA-N 1 0 388.350 2.937 20 0 GFADRO Cc1cc(S(=O)(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)c(Cl)cc1F ZINC000760572654 655985434 /nfs/dbraw/zinc/98/54/34/655985434.db2.gz DCZSYWYVLBUMBF-AWEZNQCLSA-N 1 0 390.908 2.709 20 0 GFADRO C[C@@H]1C[C@H](NS(=O)(=O)/C=C/c2ccccc2Br)C[N@@H+]1C1CC1 ZINC000760593879 655987022 /nfs/dbraw/zinc/98/70/22/655987022.db2.gz FBLZZWVQOQQWOL-JWEWWIMNSA-N 1 0 385.327 2.964 20 0 GFADRO Cc1cc(Br)ccc1C(=O)N1CCC([NH2+][C@H](CO)C2CC2)CC1 ZINC000760879104 655994162 /nfs/dbraw/zinc/99/41/62/655994162.db2.gz REWSETKWNBMWSO-QGZVFWFLSA-N 1 0 381.314 2.723 20 0 GFADRO C[C@@H](CN1C(=O)N[C@](C)(c2cccc(Br)c2)C1=O)[N@H+](C)C1CC1 ZINC000761228848 656003927 /nfs/dbraw/zinc/00/39/27/656003927.db2.gz OHCGIKCEZKEWPF-APPDUMDISA-N 1 0 380.286 2.699 20 0 GFADRO CCCSc1nsc(NC(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)n1 ZINC000762951005 656066326 /nfs/dbraw/zinc/06/63/26/656066326.db2.gz GMWJARRFGSRHKX-CYBMUJFWSA-N 1 0 385.559 2.805 20 0 GFADRO O=S1(=O)CCCN1c1ccc(C[NH2+][C@@H]2CC[C@@H]3SCCS[C@@H]23)cc1 ZINC000763561234 656086017 /nfs/dbraw/zinc/08/60/17/656086017.db2.gz GIPAYCPRUNECPR-IKGGRYGDSA-N 1 0 384.592 2.696 20 0 GFADRO C[C@@H]1C[N@H+](CCCNC(=O)N2Cc3ccc(Br)cc3C2)CCCO1 ZINC000764577460 656113817 /nfs/dbraw/zinc/11/38/17/656113817.db2.gz QCLIZOHEPZLLRP-CQSZACIVSA-N 1 0 396.329 2.975 20 0 GFADRO CS(=O)(=O)N1CCC([NH2+][C@@H]2CCOc3c(Cl)c(Cl)ccc32)CC1 ZINC000764820597 656120644 /nfs/dbraw/zinc/12/06/44/656120644.db2.gz QRCKCZNZMYNXGI-CYBMUJFWSA-N 1 0 379.309 2.831 20 0 GFADRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NS(=O)(=O)/C=C/c1ccc(Br)cc1 ZINC000765207443 656136933 /nfs/dbraw/zinc/13/69/33/656136933.db2.gz HOTANBFZMHAILF-GNADWWNHSA-N 1 0 385.327 2.822 20 0 GFADRO COc1cc(C)c(Br)cc1NC(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000765337787 656140465 /nfs/dbraw/zinc/14/04/65/656140465.db2.gz SXANGKIJQMYEML-QWHCGFSZSA-N 1 0 398.301 2.751 20 0 GFADRO CC[C@@H]1CN(C(=O)Nc2cc3c(cc2Br)OCCO3)CC[C@H]1[NH3+] ZINC000841016696 661228799 /nfs/dbraw/zinc/22/87/99/661228799.db2.gz WLWOSHUOSPBXPS-ZYHUDNBSSA-N 1 0 384.274 2.811 20 0 GFADRO CC[S@@](=O)CC[NH2+][C@H]1CCCOc2ccc(I)cc21 ZINC000765942852 656155861 /nfs/dbraw/zinc/15/58/61/656155861.db2.gz KLJCUIINPYLWST-ORAYPTAESA-N 1 0 393.290 2.863 20 0 GFADRO Cc1nn(Cc2c(Cl)cccc2Cl)c(Cl)c1CN(C)C[C@@H](O)C[NH3+] ZINC000841092258 661231922 /nfs/dbraw/zinc/23/19/22/661231922.db2.gz LVTATLZOPVEPDT-NSHDSACASA-N 1 0 391.730 2.951 20 0 GFADRO [NH3+][C@@H]1CCCO[C@H]1C1CCN(Cc2nc3ccccn3c2Br)CC1 ZINC000841099777 661233096 /nfs/dbraw/zinc/23/30/96/661233096.db2.gz OUEDLDHWSSDBLG-PBHICJAKSA-N 1 0 393.329 2.815 20 0 GFADRO C[C@@]1(CNC(=O)C(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)CC1(Cl)Cl ZINC000841138311 661236518 /nfs/dbraw/zinc/23/65/18/661236518.db2.gz WFWHXORHAAMQNH-ZDUSSCGKSA-N 1 0 398.212 2.803 20 0 GFADRO [NH3+]C[C@H]1CCCN(C(=O)Nc2cnc(Br)c(Br)c2)C1 ZINC000841140742 661236655 /nfs/dbraw/zinc/23/66/55/661236655.db2.gz ACIFOOZEQCORLZ-MRVPVSSYSA-N 1 0 392.095 2.809 20 0 GFADRO [NH3+]C[C@H]1CCCN1C(=O)Nc1cnc(Br)c(Br)c1 ZINC000841142222 661237238 /nfs/dbraw/zinc/23/72/38/661237238.db2.gz ODGACOMBOZIULM-MRVPVSSYSA-N 1 0 378.068 2.562 20 0 GFADRO NC(=O)COc1ccc(C[N@H+](CCO)Cc2ccc(Cl)c(Cl)c2)cc1 ZINC000767790488 656220029 /nfs/dbraw/zinc/22/00/29/656220029.db2.gz ZFDPRGPJVSJWJV-UHFFFAOYSA-N 1 0 383.275 2.852 20 0 GFADRO [NH3+]CC1CCN(C(=O)C(=O)Nc2cccc(Cl)c2SC(F)F)CC1 ZINC000841149468 661238856 /nfs/dbraw/zinc/23/88/56/661238856.db2.gz LGCADJGQVUQMEJ-UHFFFAOYSA-N 1 0 377.844 2.791 20 0 GFADRO C[NH2+]CCCNC(=O)C(=O)Nc1ccccc1SC[C@H]1CC1(Cl)Cl ZINC000841155606 661239631 /nfs/dbraw/zinc/23/96/31/661239631.db2.gz SYMXDHPCUDPPCQ-LLVKDONJSA-N 1 0 390.336 2.637 20 0 GFADRO O=C(NCC[C@H]1CC[NH2+]C1)C(=O)Nc1cccc(Cl)c1SC(F)F ZINC000841168287 661240984 /nfs/dbraw/zinc/24/09/84/661240984.db2.gz CVEJQEHSAGESEL-SECBINFHSA-N 1 0 377.844 2.709 20 0 GFADRO C[NH+](C)[C@@H](CNC(=S)NC[C@H]1CCOC1)c1cccc(C(F)(F)F)c1 ZINC000768786432 656251559 /nfs/dbraw/zinc/25/15/59/656251559.db2.gz SNQHSVDZCNGAND-DOMZBBRYSA-N 1 0 375.460 2.809 20 0 GFADRO O=S(=O)(/C=C/c1cccc(Cl)c1)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000768831077 656253573 /nfs/dbraw/zinc/25/35/73/656253573.db2.gz GNZJXPFWWQXHBA-HCWHUNCVSA-N 1 0 384.929 2.874 20 0 GFADRO O=C(c1ccnc(Br)c1)N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000769277330 656268980 /nfs/dbraw/zinc/26/89/80/656268980.db2.gz RNMLETCKBFXDQT-HNNXBMFYSA-N 1 0 382.302 2.561 20 0 GFADRO CN(CC(=O)Nc1ccc(Br)cn1)Cc1ccc(C[NH+](C)C)cc1 ZINC000769308287 656270039 /nfs/dbraw/zinc/27/00/39/656270039.db2.gz ONUOTHZWLFBHNU-UHFFFAOYSA-N 1 0 391.313 2.976 20 0 GFADRO CC1([NH3+])CCN(C(=O)C(=O)Nc2ccc3cc(Br)ccc3c2)CC1 ZINC000841222350 661245620 /nfs/dbraw/zinc/24/56/20/661245620.db2.gz VRLXLIJXGVSXEQ-UHFFFAOYSA-N 1 0 390.281 2.881 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ccc3cc(Br)ccc3c2)CC[NH2+]1 ZINC000841230241 661246247 /nfs/dbraw/zinc/24/62/47/661246247.db2.gz NJNOKUWNWQOHAR-BZNIZROVSA-N 1 0 390.281 2.798 20 0 GFADRO C[C@@H]1CCC[C@@](CNC(=O)c2nccn3c(Br)cnc23)([NH+](C)C)C1 ZINC000769716908 656287545 /nfs/dbraw/zinc/28/75/45/656287545.db2.gz RAJYTIFXEKZFHP-SJKOYZFVSA-N 1 0 394.317 2.732 20 0 GFADRO CC(C)OC[C@H]1C[N@H+](Cn2ccc(=O)c3cccc(Br)c32)CCO1 ZINC000769811854 656292843 /nfs/dbraw/zinc/29/28/43/656292843.db2.gz CVDOYIVKGILVBJ-CQSZACIVSA-N 1 0 395.297 2.847 20 0 GFADRO O=C(OCC[NH+]1CCCCC1)c1ccc2ncc(I)n2c1 ZINC000770398821 656318572 /nfs/dbraw/zinc/31/85/72/656318572.db2.gz OQGCJJIBLDYWPF-UHFFFAOYSA-N 1 0 399.232 2.582 20 0 GFADRO C[C@H](CNC(=O)c1cccnc1I)C[NH+]1CCCCC1 ZINC000770487757 656320687 /nfs/dbraw/zinc/32/06/87/656320687.db2.gz XTEKGVXIOQBUGT-GFCCVEGCSA-N 1 0 387.265 2.538 20 0 GFADRO COC(=O)C[C@]1([NH2+]CC(=O)Nc2c(Cl)cccc2Cl)CCCOC1 ZINC000770701871 656327213 /nfs/dbraw/zinc/32/72/13/656327213.db2.gz UYCVRGZCZAPDHX-MRXNPFEDSA-N 1 0 375.252 2.634 20 0 GFADRO O=C(NCCSCc1ccnc(Cl)c1)Nc1cnc2c(c1)C[NH2+]CC2 ZINC000841321375 661252083 /nfs/dbraw/zinc/25/20/83/661252083.db2.gz HIXBYUVNQVFNOV-UHFFFAOYSA-N 1 0 377.901 2.831 20 0 GFADRO OCC[C@H]([NH2+]Cc1nnnn1-c1ccc(Cl)cc1C(F)(F)F)C1CC1 ZINC000771806492 656362894 /nfs/dbraw/zinc/36/28/94/656362894.db2.gz XCEJEDCCFVBWEL-LBPRGKRZSA-N 1 0 375.782 2.585 20 0 GFADRO CC(C)[N@H+](CCCOC(=O)NC(N)=O)Cc1cc(Br)ccc1F ZINC000772173541 656374198 /nfs/dbraw/zinc/37/41/98/656374198.db2.gz AXZYZSXSJVNSHQ-UHFFFAOYSA-N 1 0 390.253 2.994 20 0 GFADRO CN1CC[N@H+](CCCNC(=O)C2SCCCS2)[C@H](c2ccccc2)C1 ZINC000841380259 661256511 /nfs/dbraw/zinc/25/65/11/661256511.db2.gz XURZTCFMBVFZIE-KRWDZBQOSA-N 1 0 379.595 2.678 20 0 GFADRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)c1cc(=O)c2cc(Br)ccc2o1 ZINC000841384176 661256890 /nfs/dbraw/zinc/25/68/90/661256890.db2.gz ULPFZQKRROXWEG-NSHDSACASA-N 1 0 391.265 2.770 20 0 GFADRO COC1CC[NH+](CCNC(=O)C[C@@H](O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000772761172 656388752 /nfs/dbraw/zinc/38/87/52/656388752.db2.gz VFJFUQJEXKCOBG-MRXNPFEDSA-N 1 0 375.296 2.644 20 0 GFADRO O=C(c1cc(=O)c2cc(Br)ccc2o1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000841388923 661257968 /nfs/dbraw/zinc/25/79/68/661257968.db2.gz XTWACVBTTOQKPL-CYBMUJFWSA-N 1 0 391.265 2.866 20 0 GFADRO COC(=O)CS(=O)(=O)Cc1ccc(C[NH2+][C@H](C)Cc2cccs2)cc1 ZINC000773060659 656397861 /nfs/dbraw/zinc/39/78/61/656397861.db2.gz QYAZKANTAQRMSC-CQSZACIVSA-N 1 0 381.519 2.557 20 0 GFADRO CO[C@@H](c1ccc(Br)cc1)[C@H](C)NC(=S)NCCC[NH+](C)C ZINC000773173095 656402576 /nfs/dbraw/zinc/40/25/76/656402576.db2.gz IJAPNUMBKVCGAB-SWLSCSKDSA-N 1 0 388.375 2.941 20 0 GFADRO O=C(NCc1cnc(Br)cn1)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000774276943 656512724 /nfs/dbraw/zinc/51/27/24/656512724.db2.gz YOEYKMOMMSGAID-INIZCTEOSA-N 1 0 389.297 2.910 20 0 GFADRO CN(CCN(C)S(=O)(=O)/C=C\c1ccccc1Cl)C1CC[NH+](C)CC1 ZINC000774747101 656551904 /nfs/dbraw/zinc/55/19/04/656551904.db2.gz WQEBKKYKZYOUFA-GDNBJRDFSA-N 1 0 385.961 2.598 20 0 GFADRO O=C(NC[C@H]1CC1(Cl)Cl)C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000774811577 656559124 /nfs/dbraw/zinc/55/91/24/656559124.db2.gz OBQADEOXAPGDRA-CQSZACIVSA-N 1 0 390.355 2.601 20 0 GFADRO C[C@@H]([NH2+]C(C)(C)CNC(=O)C(=O)NC[C@H]1CC1(Cl)Cl)c1ccccc1 ZINC000775156820 656605052 /nfs/dbraw/zinc/60/50/52/656605052.db2.gz AOTRGRPXOKAVRE-TZMCWYRMSA-N 1 0 386.323 2.542 20 0 GFADRO Fc1ccc(N2CCN(CC[NH2+][C@@H]3CC[C@H]4SCCS[C@@H]34)CC2)cc1 ZINC000775361879 656632458 /nfs/dbraw/zinc/63/24/58/656632458.db2.gz DJDFMANHALVCPQ-QRVBRYPASA-N 1 0 381.586 2.917 20 0 GFADRO C[C@H](CN1CCN(c2ccccn2)CC1)[NH2+][C@@H]1CC[C@@H]2SCCS[C@@H]12 ZINC000775392629 656636096 /nfs/dbraw/zinc/63/60/96/656636096.db2.gz HYRVMCXDBULITP-VXNCWWDNSA-N 1 0 378.611 2.561 20 0 GFADRO O=C1C[C@H]([NH2+][C@@H]2CC[C@H]3SCCS[C@@H]23)CN1CCOc1ccccc1 ZINC000775410272 656638160 /nfs/dbraw/zinc/63/81/60/656638160.db2.gz IKTHWYHFDMFUMW-WFEDQXDTSA-N 1 0 378.563 2.636 20 0 GFADRO CC(C)C[C@@H](O)C[NH2+][C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000775498137 656644354 /nfs/dbraw/zinc/64/43/54/656644354.db2.gz XEIBKCCHMGTJQJ-TZMCWYRMSA-N 1 0 376.316 2.664 20 0 GFADRO CC(=O)c1cc(S(=O)(=O)N(C)CCCC[NH+](C)C)ccc1Br ZINC000775712200 656671276 /nfs/dbraw/zinc/67/12/76/656671276.db2.gz FMFIREVFIZNDJJ-UHFFFAOYSA-N 1 0 391.331 2.614 20 0 GFADRO COC(=O)N1CCC[C@H]([C@@H](C)[NH2+]C[C@H](O)c2cccc(Br)c2)C1 ZINC000775813401 656682402 /nfs/dbraw/zinc/68/24/02/656682402.db2.gz RPOHDXLEKHNJQQ-INWMFGNUSA-N 1 0 385.302 2.939 20 0 GFADRO Cc1ccc(N(C)CC(=O)NC2CC[NH+](C3CC3)CC2)cc1Br ZINC000775871254 656686911 /nfs/dbraw/zinc/68/69/11/656686911.db2.gz CBHBGZHQSFYXAI-UHFFFAOYSA-N 1 0 380.330 2.937 20 0 GFADRO CS[C@@H]1CN(C(=O)c2cc(Cl)c3c(c2)OCCO3)C[C@@H]1[NH+]1CCCC1 ZINC000776209867 656720825 /nfs/dbraw/zinc/72/08/25/656720825.db2.gz AIYHIEJJZMMFER-GOEBONIOSA-N 1 0 382.913 2.763 20 0 GFADRO C[NH+](C)[C@@H](CNS(=O)(=O)c1c(Cl)ccnc1Cl)Cc1ccccc1 ZINC000777953908 656846007 /nfs/dbraw/zinc/84/60/07/656846007.db2.gz DDXNNAIMZCKGNV-CYBMUJFWSA-N 1 0 388.320 2.840 20 0 GFADRO O=C(c1nc(Br)cs1)N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000779808447 656944945 /nfs/dbraw/zinc/94/49/45/656944945.db2.gz GRYKALBXWWZSRQ-LBPRGKRZSA-N 1 0 388.331 2.623 20 0 GFADRO CC1(C)CN(C(=S)NCCSc2ccc(Cl)cc2)CC[N@@H+]1CCO ZINC000780224835 656992248 /nfs/dbraw/zinc/99/22/48/656992248.db2.gz IZPFNHYOXJDICI-UHFFFAOYSA-N 1 0 388.002 2.695 20 0 GFADRO C[C@H](CNC(=O)c1cnc2ncc(Br)cc2c1)[NH+]1CCCCC1 ZINC000780417802 657004733 /nfs/dbraw/zinc/00/47/33/657004733.db2.gz XJMVYRIFUPJJBR-GFCCVEGCSA-N 1 0 377.286 2.997 20 0 GFADRO CS[C@@H]1CN(C(=O)c2cn(C(C)(C)C)nc2Br)C[C@H]1[NH+](C)C ZINC000780676186 657022634 /nfs/dbraw/zinc/02/26/34/657022634.db2.gz ZSRCBVJGNOHSRO-VXGBXAGGSA-N 1 0 389.363 2.518 20 0 GFADRO COc1cc(C)c(Br)cc1S(=O)(=O)NCC[N@@H+]1CCC[C@H]1C ZINC000780864609 657034122 /nfs/dbraw/zinc/03/41/22/657034122.db2.gz DAISJYAJMCMOSU-GFCCVEGCSA-N 1 0 391.331 2.529 20 0 GFADRO COc1ccc2nc(Cl)ccc2c1S(=O)(=O)NCC[N@@H+]1CCC[C@@H]1C ZINC000780866703 657034149 /nfs/dbraw/zinc/03/41/49/657034149.db2.gz KSLIYGAHOIOZRB-LBPRGKRZSA-N 1 0 383.901 2.659 20 0 GFADRO COCCCOc1ccc(Cl)cc1S(=O)(=O)NCC[N@@H+]1CCC[C@@H]1C ZINC000780867551 657034170 /nfs/dbraw/zinc/03/41/70/657034170.db2.gz NDAWDFYHMUBJDD-AWEZNQCLSA-N 1 0 390.933 2.518 20 0 GFADRO O[C@@H]1CC[N@H+](Cc2ccccc2CNC(=S)NCCc2cccs2)C1 ZINC000781543065 657062590 /nfs/dbraw/zinc/06/25/90/657062590.db2.gz GGYGDUBWTYOONT-QGZVFWFLSA-N 1 0 375.563 2.522 20 0 GFADRO CCN(CCC[NH2+][C@@H](C)c1cccc(NS(C)(=O)=O)c1)CC(F)(F)F ZINC000781911102 657088281 /nfs/dbraw/zinc/08/82/81/657088281.db2.gz GWKJTAJJVWCQBC-ZDUSSCGKSA-N 1 0 381.464 2.983 20 0 GFADRO CS[C@H]1CN(S(=O)(=O)c2c(Cl)ccnc2Cl)C[C@H]1[NH+]1CCCC1 ZINC000782480663 657149406 /nfs/dbraw/zinc/14/94/06/657149406.db2.gz CRTLHZQUKGBLDH-NEPJUHHUSA-N 1 0 396.365 2.589 20 0 GFADRO CCOC(=O)c1nn(CN2CC[NH+](CCc3cccs3)CC2)c(=S)s1 ZINC000782816743 657183456 /nfs/dbraw/zinc/18/34/56/657183456.db2.gz WIQNKDMZLIUJSM-UHFFFAOYSA-N 1 0 398.579 2.730 20 0 GFADRO C[NH+](C)C1(CNC(=O)Nc2cc3c(cc2Br)OCCO3)CCC1 ZINC000783002870 657200691 /nfs/dbraw/zinc/20/06/91/657200691.db2.gz IVABIJWECALJHP-UHFFFAOYSA-N 1 0 384.274 2.826 20 0 GFADRO Cc1ccc(NC(=O)C(=O)Nc2ccc(C[NH+](C)C)cc2)c(Br)n1 ZINC000783021621 657201433 /nfs/dbraw/zinc/20/14/33/657201433.db2.gz DKXJROZLEAQWLM-UHFFFAOYSA-N 1 0 391.269 2.791 20 0 GFADRO C[C@@H]1CCC[N@@H+]1CCNC(=O)c1cc(=O)[nH]c2c(Br)cccc12 ZINC000783916179 657273056 /nfs/dbraw/zinc/27/30/56/657273056.db2.gz IBMREGOXDHVIKB-LLVKDONJSA-N 1 0 378.270 2.917 20 0 GFADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1S(=O)(=O)/C=C\c1cccc(Cl)c1 ZINC000785310084 657354251 /nfs/dbraw/zinc/35/42/51/657354251.db2.gz IBZCPOGXQIWJOM-WASHYIJTSA-N 1 0 384.929 2.826 20 0 GFADRO CCOc1c(OC)cc(C[NH2+]Cc2cc(Br)nn2C)cc1OC ZINC000785442350 657364711 /nfs/dbraw/zinc/36/47/11/657364711.db2.gz QNSABJKOPHKCCL-UHFFFAOYSA-N 1 0 384.274 2.888 20 0 GFADRO Cn1nc(Br)cc1C[NH2+][C@@H](Cc1ccccc1)C(=O)N1CCCC1 ZINC000785443099 657364861 /nfs/dbraw/zinc/36/48/61/657364861.db2.gz UXFZKWBXWUOTQA-INIZCTEOSA-N 1 0 391.313 2.506 20 0 GFADRO Cn1nc(Br)cc1CNc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000785470217 657366486 /nfs/dbraw/zinc/36/64/86/657366486.db2.gz IMMKRBJCPJYKFL-UHFFFAOYSA-N 1 0 379.302 2.751 20 0 GFADRO C[C@@H]([NH2+]Cc1cc(Br)nn1C)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000785475781 657367265 /nfs/dbraw/zinc/36/72/65/657367265.db2.gz SNVGYYAUQWCKMH-PBHICJAKSA-N 1 0 393.329 2.562 20 0 GFADRO Cc1nn(Cc2ccc(Cl)cc2Cl)c(Cl)c1C[NH2+]C[C@H](O)CO ZINC000785981240 657398921 /nfs/dbraw/zinc/39/89/21/657398921.db2.gz RAXAHHYZYQISDT-LBPRGKRZSA-N 1 0 378.687 2.643 20 0 GFADRO COC[C@@H](c1ccc(Cl)cc1)[N@H+](C)CCc1ccc(S(N)(=O)=O)cc1 ZINC000786178901 657413255 /nfs/dbraw/zinc/41/32/55/657413255.db2.gz SJYGYZRMNJLZKV-SFHVURJKSA-N 1 0 382.913 2.849 20 0 GFADRO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@H](O)c1ccc(Cl)cc1 ZINC000788503046 657732270 /nfs/dbraw/zinc/73/22/70/657732270.db2.gz CCACLBPRUFNFNG-NHYWBVRUSA-N 1 0 385.689 2.976 20 0 GFADRO CCN(CCC[NH+]1CCCC1)C(=O)CN1C(=S)N=NC1c1cccs1 ZINC000788551330 657743446 /nfs/dbraw/zinc/74/34/46/657743446.db2.gz PVSDXBZZVVJRFX-UHFFFAOYSA-N 1 0 379.555 2.630 20 0 GFADRO CC(C)C[C@H](CNC(=O)OC(C)(C)C)[NH2+][C@@H]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000788594537 657749317 /nfs/dbraw/zinc/74/93/17/657749317.db2.gz VZBNKCHKQLEODZ-BZUAXINKSA-N 1 0 376.563 2.871 20 0 GFADRO C[NH+](C)Cc1ccc(S(=O)(=O)NC[C@@H](O)c2ccc(Cl)c(F)c2)cc1 ZINC000788659244 657765992 /nfs/dbraw/zinc/76/59/92/657765992.db2.gz YZCVCLSAPSDEFS-QGZVFWFLSA-N 1 0 386.876 2.553 20 0 GFADRO O[C@@H](C[NH2+]Cc1ccc(Br)cc1N1CCOCC1)c1ccco1 ZINC000788961129 657803284 /nfs/dbraw/zinc/80/32/84/657803284.db2.gz QDTSFXFDMKITHF-INIZCTEOSA-N 1 0 381.270 2.702 20 0 GFADRO COc1cc(C=O)cc(Cl)c1OS(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000790007533 657908107 /nfs/dbraw/zinc/90/81/07/657908107.db2.gz BDLCQHICYBVHED-UHFFFAOYSA-N 1 0 383.853 2.990 20 0 GFADRO COC[C@@H]1CC[N@H+](Cn2ncc3c2ccc(Br)c3C(=O)OC)C1 ZINC000790442814 657978885 /nfs/dbraw/zinc/97/88/85/657978885.db2.gz FJCIWTZWTWYLCH-LLVKDONJSA-N 1 0 382.258 2.511 20 0 GFADRO OC[C@@H](C[C@H](O)c1ccccc1)[NH2+]Cc1cccc(I)c1 ZINC000790567172 657998785 /nfs/dbraw/zinc/99/87/85/657998785.db2.gz FFLHFBPZNBAAKQ-SJORKVTESA-N 1 0 397.256 2.865 20 0 GFADRO CC(C)(C)[C@H](O)C[C@H](CO)[NH2+]Cc1ccccc1I ZINC000790618902 658003711 /nfs/dbraw/zinc/00/37/11/658003711.db2.gz JWTHVWAZWJUKTQ-TZMCWYRMSA-N 1 0 377.266 2.539 20 0 GFADRO C[N@@H+](Cc1ccc(Br)o1)C[C@@H](O)CCNC(=O)OC(C)(C)C ZINC000792958379 658335390 /nfs/dbraw/zinc/33/53/90/658335390.db2.gz IHBKTOZSCCGLCT-NSHDSACASA-N 1 0 377.279 2.750 20 0 GFADRO Cc1ccc(/C=C\C(=O)N2CC[N@@H+](C[C@H](C)O)C[C@@H]2C)c(Br)c1 ZINC000793873990 658453067 /nfs/dbraw/zinc/45/30/67/658453067.db2.gz KDKVCUBXGAACLZ-BEWKBBBFSA-N 1 0 381.314 2.684 20 0 GFADRO COc1cc(/C=C/C(=O)NCC[N@H+]2CC=CCC2)cc(Br)c1O ZINC000794118564 658489774 /nfs/dbraw/zinc/48/97/74/658489774.db2.gz JJUKQHFNVGDDPF-AATRIKPKSA-N 1 0 381.270 2.555 20 0 GFADRO C[C@@H]([NH2+]C[C@@H](O)CCNC(=O)OC(C)(C)C)c1ccc(Br)cn1 ZINC000794530386 658557293 /nfs/dbraw/zinc/55/72/93/658557293.db2.gz JMYKAXZEXWZHJK-YPMHNXCESA-N 1 0 388.306 2.770 20 0 GFADRO Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)[NH2+][C@@H]1CC[C@@H]2SCCS[C@@H]12 ZINC000794816533 658618184 /nfs/dbraw/zinc/61/81/84/658618184.db2.gz NQOUFBLRJGAGQV-GUSZCTEKSA-N 1 0 386.608 2.981 20 0 GFADRO FC(F)(F)C1CC[NH+](C2CC(NC(=S)NC[C@@H]3CCCCO3)C2)CC1 ZINC000795001507 658647507 /nfs/dbraw/zinc/64/75/07/658647507.db2.gz UTHRNYMXSDDYST-NRXISQOPSA-N 1 0 379.492 2.825 20 0 GFADRO COc1c[nH+]ccc1N1CCN(C(=S)NCCCCC(F)(F)F)CC1 ZINC000795030062 658651787 /nfs/dbraw/zinc/65/17/87/658651787.db2.gz ZIXBNCCUUIBWLI-UHFFFAOYSA-N 1 0 376.448 2.819 20 0 GFADRO Cc1cc(CC(C)(C)[NH2+]CC(=O)N2CCO[C@@H](C)C2)ccc1Br ZINC000795193333 658707160 /nfs/dbraw/zinc/70/71/60/658707160.db2.gz OPOFUTSBJSUOCB-AWEZNQCLSA-N 1 0 383.330 2.916 20 0 GFADRO O=S(=O)(NCC[NH2+]CC1(O)CCCCC1)c1cccc(Cl)c1Cl ZINC000795325598 658805894 /nfs/dbraw/zinc/80/58/94/658805894.db2.gz UIFDUFDJSCLSTR-UHFFFAOYSA-N 1 0 381.325 2.557 20 0 GFADRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1CN1C(=O)c2ccc(Br)cc2C1=O ZINC000795704067 658842849 /nfs/dbraw/zinc/84/28/49/658842849.db2.gz GTZLCZCUZSWMFA-OCCSQVGLSA-N 1 0 392.297 2.561 20 0 GFADRO O=S(=O)(NC1CC[NH+](C[C@@H]2CCCO2)CC1)c1csc2ccccc21 ZINC000795840046 658857113 /nfs/dbraw/zinc/85/71/13/658857113.db2.gz VJTBIOKSUCVKHK-HNNXBMFYSA-N 1 0 380.535 2.823 20 0 GFADRO CC[C@@H](C)[NH2+][C@H](CNS(=O)(=O)c1cnc(Cl)c(OC)c1)c1ccco1 ZINC000796049933 658884997 /nfs/dbraw/zinc/88/49/97/658884997.db2.gz YZEUZIZECBIAJX-DGCLKSJQSA-N 1 0 387.889 2.744 20 0 GFADRO C[C@H]([NH2+]Cc1cnc(NC(=O)OC(C)(C)C)s1)C1(S(C)(=O)=O)CC1 ZINC000796487870 658919514 /nfs/dbraw/zinc/91/95/14/658919514.db2.gz AFDJHXUABDUCCK-JTQLQIEISA-N 1 0 375.516 2.545 20 0 GFADRO COC(=O)C[C@@](C)([NH2+]C[C@H]1CC2(CC2)C(=O)O1)c1ccc(Br)cc1 ZINC000796497822 658920277 /nfs/dbraw/zinc/92/02/77/658920277.db2.gz ORTBRLNYXPPUAS-RHSMWYFYSA-N 1 0 396.281 2.913 20 0 GFADRO CNC(=O)C[C@H]([NH2+]C[C@H](O)c1ccccc1Br)c1ccccc1 ZINC000796609516 658927433 /nfs/dbraw/zinc/92/74/33/658927433.db2.gz ALLXBJIQFYDQMV-IRXDYDNUSA-N 1 0 377.282 2.950 20 0 GFADRO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1COCC[C@@H]1[NH2+]C[C@H]1CSCCS1 ZINC000796791977 658939550 /nfs/dbraw/zinc/93/95/50/658939550.db2.gz FCNRYGVPAVOXDR-AJNGGQMLSA-N 1 0 376.588 2.743 20 0 GFADRO CC1=C(Br)CN(C(=O)NCC2([NH+]3CCCC3)CCOCC2)CC1 ZINC000797448899 659023260 /nfs/dbraw/zinc/02/32/60/659023260.db2.gz DZJSYUCWNGZIGS-UHFFFAOYSA-N 1 0 386.334 2.716 20 0 GFADRO CC(C)CS(=O)(=O)N1CCC([NH2+][C@H]2COCc3cccc(Cl)c32)CC1 ZINC000798182043 659080106 /nfs/dbraw/zinc/08/01/06/659080106.db2.gz AAQKURJQLVYQGA-KRWDZBQOSA-N 1 0 386.945 2.951 20 0 GFADRO C[C@@H](CNC(=O)NC[C@H](O)c1cccc(Br)c1)[N@@H+]1CCC[C@H](C)C1 ZINC000799926282 659245537 /nfs/dbraw/zinc/24/55/37/659245537.db2.gz KOCSHAOYJQRVFL-ZQIUZPCESA-N 1 0 398.345 2.902 20 0 GFADRO C[C@@H](C[NH+]1CCCCC1)NC(=O)NC[C@H](O)c1cccc(Br)c1 ZINC000799938880 659247324 /nfs/dbraw/zinc/24/73/24/659247324.db2.gz BHUAESTZZCRGCR-BBRMVZONSA-N 1 0 384.318 2.656 20 0 GFADRO CC(C)(C)OC(=O)Nc1ncc(C[NH2+][C@H]2CCC[C@@H](S(C)(=O)=O)C2)s1 ZINC000800241356 659295744 /nfs/dbraw/zinc/29/57/44/659295744.db2.gz NDKCZIBFJPJWQW-WCQYABFASA-N 1 0 389.543 2.936 20 0 GFADRO Cc1nn(C)c(Br)c1C(=O)N1CCC[C@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000801091143 659367625 /nfs/dbraw/zinc/36/76/25/659367625.db2.gz VELNTTDVEBRUQH-SCRDCRAPSA-N 1 0 383.334 2.968 20 0 GFADRO C[NH+]1CCC(CNC(=S)N2CCOc3ccc(Br)cc3C2)CC1 ZINC000802714618 659495076 /nfs/dbraw/zinc/49/50/76/659495076.db2.gz BGKVJTXPODSTSZ-UHFFFAOYSA-N 1 0 398.370 2.860 20 0 GFADRO O=C1c2cccc(Br)c2CN1CN1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000802730471 659498513 /nfs/dbraw/zinc/49/85/13/659498513.db2.gz VIHFGHPVDBLGCT-CQSZACIVSA-N 1 0 378.314 2.923 20 0 GFADRO C[N@@H+]1CCCC[C@@H]1CCC(=O)O[C@H](C(N)=O)c1cccc(Br)c1 ZINC000803858823 659611287 /nfs/dbraw/zinc/61/12/87/659611287.db2.gz JIRCVMILUPYICD-ZBFHGGJFSA-N 1 0 383.286 2.783 20 0 GFADRO Cc1nn(C)c(Br)c1C(=O)N(C)CCC[N@H+](C)Cc1ccco1 ZINC000804869443 659690366 /nfs/dbraw/zinc/69/03/66/659690366.db2.gz QBZQLTSHZVPSQH-UHFFFAOYSA-N 1 0 383.290 2.678 20 0 GFADRO C[C@H](CNS(=O)(=O)Cc1ccccc1Br)[NH+]1CCCCC1 ZINC000804961508 659703814 /nfs/dbraw/zinc/70/38/14/659703814.db2.gz YROSRFQBBWIKTQ-CYBMUJFWSA-N 1 0 375.332 2.743 20 0 GFADRO O=S(=O)(N1CCC(C[NH2+][C@@H]2CCc3nc(Cl)ccc32)CC1)C(F)(F)F ZINC000806139311 659826328 /nfs/dbraw/zinc/82/63/28/659826328.db2.gz NKFYYXAWYDOULD-GFCCVEGCSA-N 1 0 397.850 2.874 20 0 GFADRO CCCC[N@H+](C)C[C@H](C)NS(=O)(=O)c1sc(C(=O)OC)c(Cl)c1C ZINC000808356729 659892595 /nfs/dbraw/zinc/89/25/95/659892595.db2.gz MUPNMDXMOJPARR-JTQLQIEISA-N 1 0 396.962 2.895 20 0 GFADRO CON(C)C(=O)CC[N@H+](CCc1ccc(Cl)cc1)C[C@H](O)C(F)(F)F ZINC000808786554 659906309 /nfs/dbraw/zinc/90/63/09/659906309.db2.gz VJSMHHYCZUOWDE-AWEZNQCLSA-N 1 0 382.810 2.518 20 0 GFADRO CCS(=O)(=O)N1CCC([C@@H](C)[N@H+](C)Cc2occc2Br)CC1 ZINC000809785937 659939235 /nfs/dbraw/zinc/93/92/35/659939235.db2.gz INFMYGMPLZDGRK-GFCCVEGCSA-N 1 0 393.347 2.924 20 0 GFADRO C[C@H](C(=O)NC1CC1)[N@@H+]1CCC[C@H]([C@H](O)c2ccc(Br)cc2)C1 ZINC000810047983 659957872 /nfs/dbraw/zinc/95/78/72/659957872.db2.gz RHZRCLNXIRNZQQ-HACGYAERSA-N 1 0 381.314 2.862 20 0 GFADRO C[C@@H](CNCc1cn(-c2ccccc2Br)nn1)[NH+]1CCCCC1 ZINC000810134557 659964081 /nfs/dbraw/zinc/96/40/81/659964081.db2.gz UCQAYMCZFAMZKR-AWEZNQCLSA-N 1 0 378.318 2.994 20 0 GFADRO NS(=O)(=O)c1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[C@@H]3SCCS[C@@H]13)CCC2 ZINC000810228715 659967501 /nfs/dbraw/zinc/96/75/01/659967501.db2.gz JZPYABMBRQMUOG-NCOADZHNSA-N 1 0 384.592 2.681 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)N[C@H](CO)c2cccc(Br)c2)C1 ZINC000810938187 659990948 /nfs/dbraw/zinc/99/09/48/659990948.db2.gz DKHLPWNUYLXRDB-PBHICJAKSA-N 1 0 387.293 2.811 20 0 GFADRO CCCC[N@H+](C)C[C@@H](C)NC(=O)CCN1C(=S)N=NC1c1cccs1 ZINC000811599957 660013195 /nfs/dbraw/zinc/01/31/95/660013195.db2.gz YALBMMYQBCJBIR-CYBMUJFWSA-N 1 0 381.571 2.922 20 0 GFADRO C[N@@H+]1CC[C@H](C(=O)N2CCC[C@H]([C@H](O)c3ccc(Br)cc3)C2)C1 ZINC000811611978 660013575 /nfs/dbraw/zinc/01/35/75/660013575.db2.gz WFXUSKHBVSQUOL-YQQAZPJKSA-N 1 0 381.314 2.673 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC(c4ccc(Cl)cc4Cl)=NO3)C[C@@H]2C1 ZINC000812335775 660024728 /nfs/dbraw/zinc/02/47/28/660024728.db2.gz VEKLBSFGWVCEJI-BWACUDIHSA-N 1 0 382.291 2.897 20 0 GFADRO COc1ccc(C[NH2+]C2(CO)COC(C)(C)OC2)cc1SC(F)(F)F ZINC000812838353 660035754 /nfs/dbraw/zinc/03/57/54/660035754.db2.gz OUVKMGQEWJFUGU-UHFFFAOYSA-N 1 0 381.416 2.911 20 0 GFADRO C[C@H]([NH2+]C[C@@H]1CC2(CC2)C(=O)O1)c1ccc(Br)cc1OCCCO ZINC000812885188 660036084 /nfs/dbraw/zinc/03/60/84/660036084.db2.gz MPUKZMPSQYUSFB-JSGCOSHPSA-N 1 0 398.297 2.957 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)N2CCOc3ncc(Br)cc32)C1 ZINC000813167680 660045890 /nfs/dbraw/zinc/04/58/90/660045890.db2.gz BGNSCLWELBYPLQ-INIZCTEOSA-N 1 0 386.265 2.782 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)Nc2cn3cc(Br)ncc3n2)C1 ZINC000813176887 660046010 /nfs/dbraw/zinc/04/60/10/660046010.db2.gz OOUXGAIICSRHFE-OAHLLOKOSA-N 1 0 384.253 2.643 20 0 GFADRO Cc1ccc(-n2nc(Br)cc2C(=O)NC[C@@H](C)C[NH+](C)C)cc1 ZINC000814138212 660073430 /nfs/dbraw/zinc/07/34/30/660073430.db2.gz NOALICYWMOWMPK-CYBMUJFWSA-N 1 0 379.302 2.871 20 0 GFADRO Cc1cc2cc(S(=O)(=O)N[C@@H]3CC[N@H+](CC4CC4)C3)ccc2nc1Cl ZINC000815014041 660101499 /nfs/dbraw/zinc/10/14/99/660101499.db2.gz GILRLGMPJCTCLB-OAHLLOKOSA-N 1 0 379.913 2.959 20 0 GFADRO Cc1cc2cc(S(=O)(=O)NC[C@]3([NH+](C)C)CCSC3)ccc2nc1Cl ZINC000815020614 660102534 /nfs/dbraw/zinc/10/25/34/660102534.db2.gz BSKJNVBUPMBVTI-QGZVFWFLSA-N 1 0 399.969 2.912 20 0 GFADRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)c1cn2c(Br)cnc2s1 ZINC000815890103 660134176 /nfs/dbraw/zinc/13/41/76/660134176.db2.gz XFMGAKMZELTFKA-SNVBAGLBSA-N 1 0 385.331 2.961 20 0 GFADRO Cn1c(=O)oc2cc(C[NH2+]C[C@@H](O)c3cccc(Br)c3)ccc21 ZINC000816600966 660162186 /nfs/dbraw/zinc/16/21/86/660162186.db2.gz MVLYPECSKPKEGJ-OAHLLOKOSA-N 1 0 377.238 2.717 20 0 GFADRO C[NH+]1CCN(c2ccc(CNC(=O)c3nc(Cl)sc3Cl)cn2)CC1 ZINC000816838089 660170343 /nfs/dbraw/zinc/17/03/43/660170343.db2.gz QZRXSMOGCNUDJQ-UHFFFAOYSA-N 1 0 386.308 2.527 20 0 GFADRO C[C@@](O)(CNC(=O)C1CC[NH+]([C@H]2CCSC2)CC1)c1cccc(Cl)c1 ZINC000816971104 660175233 /nfs/dbraw/zinc/17/52/33/660175233.db2.gz SZTRAWWMLVWAOW-PKOBYXMFSA-N 1 0 382.957 2.881 20 0 GFADRO C[NH+](C)C1CCC(NS(=O)(=O)c2cc(Br)cnc2Cl)CC1 ZINC000817147357 660183673 /nfs/dbraw/zinc/18/36/73/660183673.db2.gz OUVYEJIBHRPRLO-UHFFFAOYSA-N 1 0 396.738 2.649 20 0 GFADRO O=C(NC[C@@H]1CCC[N@H+]1CCCO)Nc1cnc(Cl)c(C(F)(F)F)c1 ZINC000841798888 661314133 /nfs/dbraw/zinc/31/41/33/661314133.db2.gz MYWJGSQTISWAAA-NSHDSACASA-N 1 0 380.798 2.722 20 0 GFADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)Nc1cnc(Cl)c(C(F)(F)F)c1 ZINC000841799732 661314504 /nfs/dbraw/zinc/31/45/04/661314504.db2.gz CDPGQDWTSDVLNP-LLVKDONJSA-N 1 0 380.798 2.986 20 0 GFADRO O=C(NC[C@H]1CCCC[NH2+]1)N1CCO[C@H](c2ccccc2Br)C1 ZINC000841920430 661317740 /nfs/dbraw/zinc/31/77/40/661317740.db2.gz FKOZFMLOAMVVBC-CJNGLKHVSA-N 1 0 382.302 2.674 20 0 GFADRO CC(C)C[C@@H](C[NH3+])NC(=O)N1CCO[C@H](c2ccccc2Br)C1 ZINC000841953774 661318313 /nfs/dbraw/zinc/31/83/13/661318313.db2.gz LNBLDOKRLMADFE-BBRMVZONSA-N 1 0 384.318 2.905 20 0 GFADRO CC[C@@H](NC(=O)C(=O)NCc1ccc(CC[NH3+])cc1)c1ccc(Cl)s1 ZINC000842058487 661321453 /nfs/dbraw/zinc/32/14/53/661321453.db2.gz UMSKVOZUUBXQKP-CQSZACIVSA-N 1 0 379.913 2.786 20 0 GFADRO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(S(=O)(=O)/C=C\c2cccc(Cl)c2)CC1 ZINC000842485565 661341777 /nfs/dbraw/zinc/34/17/77/661341777.db2.gz KSEVLCQZOBHQLV-JIMNIMLASA-N 1 0 384.929 2.859 20 0 GFADRO [NH2+]=C(COC[C@@H]1CCOC1)NOCc1c(F)ccc(Br)c1F ZINC000842662804 661347983 /nfs/dbraw/zinc/34/79/83/661347983.db2.gz WAHXIIOJPJXEOD-SECBINFHSA-N 1 0 379.201 2.779 20 0 GFADRO COc1ccc2nc(Cl)ccc2c1S(=O)(=O)N1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000842722259 661351007 /nfs/dbraw/zinc/35/10/07/661351007.db2.gz ONROLLVFCYFYOJ-FZMZJTMJSA-N 1 0 383.901 2.645 20 0 GFADRO COCCCOc1ccc(Cl)cc1S(=O)(=O)N[C@](C)(C[NH3+])CC(C)C ZINC000842723598 661351167 /nfs/dbraw/zinc/35/11/67/661351167.db2.gz VSSVALGPQDHKJV-KRWDZBQOSA-N 1 0 392.949 2.797 20 0 GFADRO CC(=O)c1cc(S(=O)(=O)N(C)C2CCC([NH3+])CC2)ccc1Br ZINC000842736587 661351728 /nfs/dbraw/zinc/35/17/28/661351728.db2.gz BMIHIJOXVPTCOG-UHFFFAOYSA-N 1 0 389.315 2.542 20 0 GFADRO [NH3+]CCCCCCNC(=O)C(=O)Nc1cc(F)c(Br)cc1Cl ZINC000843053018 661365588 /nfs/dbraw/zinc/36/55/88/661365588.db2.gz GQRDOUBBIXAVGF-UHFFFAOYSA-N 1 0 394.672 2.815 20 0 GFADRO C[C@H]([NH2+]C[C@@H](O)COc1ccc(Br)cc1)[C@@H](O)c1ccccc1 ZINC000843063084 661365719 /nfs/dbraw/zinc/36/57/19/661365719.db2.gz RYSPORKZVAGRFX-FDQGKXFDSA-N 1 0 380.282 2.901 20 0 GFADRO O[C@@H](C[NH2+]C[C@H](O)COCc1cccs1)c1ccccc1C(F)(F)F ZINC000843071857 661366436 /nfs/dbraw/zinc/36/64/36/661366436.db2.gz ZPSAOTJVFRBIBV-LRDDRELGSA-N 1 0 375.412 2.968 20 0 GFADRO O[C@@H](C[NH2+]C[C@H](O)COc1ccc(F)c(F)c1)c1ccc(Cl)c(F)c1 ZINC000843073336 661366617 /nfs/dbraw/zinc/36/66/17/661366617.db2.gz VDVQQRPDUWQPNX-GTNSWQLSSA-N 1 0 375.774 2.820 20 0 GFADRO CC(C)(C)OC(=O)NC[C@@](C)(O)C[NH2+]C[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000843079883 661366732 /nfs/dbraw/zinc/36/67/32/661366732.db2.gz FHAOMTJZBDKBJT-PBHICJAKSA-N 1 0 393.311 2.892 20 0 GFADRO CN(C[C@@H](O)C[NH2+]C[C@@H](O)c1c(Cl)cccc1Cl)C(=O)OC(C)(C)C ZINC000843085718 661367072 /nfs/dbraw/zinc/36/70/72/661367072.db2.gz XEXVVIIKYYMBFW-SMDDNHRTSA-N 1 0 393.311 2.844 20 0 GFADRO Cc1cc(F)ccc1[C@H](O)C[NH2+]C[C@H](O)COc1ccccc1Br ZINC000843092699 661367534 /nfs/dbraw/zinc/36/75/34/661367534.db2.gz DMJRHTYGJPZUCE-WMLDXEAASA-N 1 0 398.272 2.960 20 0 GFADRO O[C@H](C[NH2+]C[C@@H]1CCC2(CCOCC2)[C@@H]1O)c1ccccc1Br ZINC000843111972 661368766 /nfs/dbraw/zinc/36/87/66/661368766.db2.gz BNOKJZGYMOAPCT-IAOVAPTHSA-N 1 0 384.314 2.640 20 0 GFADRO COc1ccc(Br)cc1C[C@H](CO)C[NH2+]C[C@@H](O)c1ccccc1 ZINC000843115583 661369334 /nfs/dbraw/zinc/36/93/34/661369334.db2.gz HEMYDHYHCWOSSW-KBXCAEBGSA-N 1 0 394.309 2.932 20 0 GFADRO O[C@H](C[NH2+][C@@H]1COc2ccccc2[C@H]1O)COc1ccc(Cl)c(Cl)c1 ZINC000843117741 661369804 /nfs/dbraw/zinc/36/98/04/661369804.db2.gz SRGKDNNNYIBVMU-XNAIMREJSA-N 1 0 384.259 2.817 20 0 GFADRO O=S(=O)(c1ccc(Cl)cc1)C1(c2nc(CC3CC[NH2+]CC3)no2)CC1 ZINC000843134179 661370523 /nfs/dbraw/zinc/37/05/23/661370523.db2.gz YVKDUEWATHOIQQ-UHFFFAOYSA-N 1 0 381.885 2.728 20 0 GFADRO COc1cc(Br)c(Cc2noc([C@]3(F)CC[NH2+]C3)n2)cc1OC ZINC000843198796 661371768 /nfs/dbraw/zinc/37/17/68/661371768.db2.gz UMOOVSHJSWVVFR-HNNXBMFYSA-N 1 0 386.221 2.598 20 0 GFADRO COc1ccc(Cc2noc([C@]3(C)CC[NH2+]C3)n2)c(Br)c1OC ZINC000843202235 661372062 /nfs/dbraw/zinc/37/20/62/661372062.db2.gz BYYVPISTLDQDMC-MRXNPFEDSA-N 1 0 382.258 2.691 20 0 GFADRO CC(C)(C[NH3+])c1nc(Cc2cc(Br)c3c(c2)OCCCO3)no1 ZINC000843202783 661372146 /nfs/dbraw/zinc/37/21/46/661372146.db2.gz KGGDHHLSDXNZPC-UHFFFAOYSA-N 1 0 382.258 2.821 20 0 GFADRO C[NH2+]C[C@H](C)c1nc(Cc2cc(Br)c3c(c2)OCCCO3)no1 ZINC000843202978 661372178 /nfs/dbraw/zinc/37/21/78/661372178.db2.gz MQBCEZBJKUSLRL-JTQLQIEISA-N 1 0 382.258 2.907 20 0 GFADRO COc1cc(Cc2noc(C[C@H](C)[NH3+])n2)cc(Br)c1OC(F)F ZINC000843203268 661372519 /nfs/dbraw/zinc/37/25/19/661372519.db2.gz QJAUEFWOVCGDPW-ZETCQYMHSA-N 1 0 392.200 2.923 20 0 GFADRO [NH3+]CCOc1ccc(NCCS(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000843367037 661378802 /nfs/dbraw/zinc/37/88/02/661378802.db2.gz MRGVRWGABBUSAU-UHFFFAOYSA-N 1 0 399.310 2.672 20 0 GFADRO Cc1cc([C@H]([NH3+])CC(=O)Nc2ccc(CS(C)(=O)=O)cc2)cc(Cl)n1 ZINC000843408042 661380139 /nfs/dbraw/zinc/38/01/39/661380139.db2.gz SWKONLCUAOHWLA-OAHLLOKOSA-N 1 0 381.885 2.617 20 0 GFADRO CC[NH2+]CC(=O)N1CCC[C@H]1c1nc(Cc2ccc(Br)cc2)no1 ZINC000843438651 661381660 /nfs/dbraw/zinc/38/16/60/661381660.db2.gz YJKYOPFDZGTCBZ-AWEZNQCLSA-N 1 0 393.285 2.696 20 0 GFADRO Cc1ccc(/C=C\C(=O)N2C[C@@H](C[NH3+])C3(C2)CCOCC3)c(Br)c1 ZINC000843486940 661383106 /nfs/dbraw/zinc/38/31/06/661383106.db2.gz XXINGHJMLLCEDY-YIEVGGLXSA-N 1 0 393.325 2.985 20 0 GFADRO Cc1ccc(/C=C\C(=O)N2C[C@H](C[NH3+])C3(C2)CCOCC3)c(Br)c1 ZINC000843486936 661383147 /nfs/dbraw/zinc/38/31/47/661383147.db2.gz XXINGHJMLLCEDY-AWFCHZOYSA-N 1 0 393.325 2.985 20 0 GFADRO CCOC(=O)Nc1ccc(Br)cc1NC(=O)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000843491835 661383238 /nfs/dbraw/zinc/38/32/38/661383238.db2.gz MYOZCWTXVSTFOF-BDJLRTHQSA-N 1 0 382.258 2.956 20 0 GFADRO COCCOc1c(Cl)cc(NC(=O)CO[C@H]2CCC[NH2+]C2)cc1Cl ZINC000843492331 661383350 /nfs/dbraw/zinc/38/33/50/661383350.db2.gz QARGZCNQQRRLJE-LBPRGKRZSA-N 1 0 377.268 2.726 20 0 GFADRO Cc1n[nH]c(C(=O)NC[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)c1Br ZINC000844049910 661401735 /nfs/dbraw/zinc/40/17/35/661401735.db2.gz SMOQJGDGKAALLK-KGLIPLIRSA-N 1 0 377.286 2.556 20 0 GFADRO C[NH+]1CCC2(CC1)CN(C(=O)c1ccc(C(F)(F)F)nc1Cl)CCO2 ZINC000844093211 661403852 /nfs/dbraw/zinc/40/38/52/661403852.db2.gz ATGAPAVGCJPBBJ-UHFFFAOYSA-N 1 0 377.794 2.691 20 0 GFADRO C[NH+]1CCC2(CC1)CN(C(=O)C[C@H](O)c1cc(Cl)cc(Cl)c1)CCO2 ZINC000844093253 661404303 /nfs/dbraw/zinc/40/43/03/661404303.db2.gz BPRIAOAFQWENKL-INIZCTEOSA-N 1 0 387.307 2.740 20 0 GFADRO C[NH+](C)CCCNC(=S)N1CCN(c2cc(Cl)ccc2Cl)CC1 ZINC000844572638 661428543 /nfs/dbraw/zinc/42/85/43/661428543.db2.gz QFKXOCZLTJRYOJ-UHFFFAOYSA-N 1 0 375.369 2.942 20 0 GFADRO Cn1nc(Br)cc1C(=O)N[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000844962742 661450664 /nfs/dbraw/zinc/45/06/64/661450664.db2.gz FCOHSUKWTSYWGP-KRWDZBQOSA-N 1 0 377.286 2.577 20 0 GFADRO Cn1nc(C(=O)N[C@]2(C)CC[N@H+](Cc3ccccc3)C2)cc1Br ZINC000844965779 661451207 /nfs/dbraw/zinc/45/12/07/661451207.db2.gz UPRHFBIYLXUFOA-QGZVFWFLSA-N 1 0 377.286 2.577 20 0 GFADRO O=C(CCNC(=O)c1ccc(Br)cc1)OC[C@@]12CC[N@H+](C1)CCC2 ZINC000845795479 661497890 /nfs/dbraw/zinc/49/78/90/661497890.db2.gz SLDWNQKYRQNVOB-SFHVURJKSA-N 1 0 395.297 2.598 20 0 GFADRO C[C@H]1CN(C(=O)c2snc(Cl)c2Cl)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000845904259 661505349 /nfs/dbraw/zinc/50/53/49/661505349.db2.gz PQVSAELWKWXGAG-QWRGUYRKSA-N 1 0 377.341 2.548 20 0 GFADRO COc1cc([C@@H](C)[NH2+][C@H]2CCN(S(C)(=O)=O)C2)ccc1SC(F)F ZINC000846186697 661537235 /nfs/dbraw/zinc/53/72/35/661537235.db2.gz ZMUHODYTIQDJRP-PWSUYJOCSA-N 1 0 380.482 2.694 20 0 GFADRO [NH3+]CCCCCCN1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1 ZINC000846218525 661538722 /nfs/dbraw/zinc/53/87/22/661538722.db2.gz WTDPWSQMXKOKNR-UHFFFAOYSA-N 1 0 394.368 2.819 20 0 GFADRO [NH3+]C[C@]12CCC[C@H]1CN(S(=O)(=O)/C=C/c1ccc(Br)cc1)C2 ZINC000846229760 661539197 /nfs/dbraw/zinc/53/91/97/661539197.db2.gz GFSUYRKFGARDLK-SBYGYFDASA-N 1 0 385.327 2.810 20 0 GFADRO C[NH2+]Cc1ccccc1CNS(=O)(=O)c1cc2c(cc1Cl)CCC2=O ZINC000846233553 661539643 /nfs/dbraw/zinc/53/96/43/661539643.db2.gz ORXPDYQQYYBHKI-UHFFFAOYSA-N 1 0 378.881 2.667 20 0 GFADRO Cc1cnc(Br)cc1NC(=O)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000846317283 661545048 /nfs/dbraw/zinc/54/50/48/661545048.db2.gz RNIPPKWGGDSCOR-GZBFAFLISA-N 1 0 397.317 2.903 20 0 GFADRO CC(C)C[N@H+](C)CCCNC(=O)CCN1C(=S)N=NC1c1cccs1 ZINC000846659238 661561035 /nfs/dbraw/zinc/56/10/35/661561035.db2.gz KPQWKMBVPNVNRQ-UHFFFAOYSA-N 1 0 381.571 2.780 20 0 GFADRO C[C@@H]1CCCN(C(=O)c2cn(-c3ccccc3Br)nn2)[C@@H]1CC[NH3+] ZINC000846694159 661561906 /nfs/dbraw/zinc/56/19/06/661561906.db2.gz NODGNWLXZIDKKG-IUODEOHRSA-N 1 0 392.301 2.619 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2C(=O)/C=C/c2ccc(Br)o2)C1 ZINC000846700699 661562272 /nfs/dbraw/zinc/56/22/72/661562272.db2.gz WHUPNOGXDOAWJP-LDJAHTQASA-N 1 0 383.286 2.943 20 0 GFADRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)NCC[C@]1(C)C[C@@]1(F)Cl ZINC000846727315 661563126 /nfs/dbraw/zinc/56/31/26/661563126.db2.gz SKDDSWKZRZIDBU-OLMNPRSZSA-N 1 0 375.916 2.578 20 0 GFADRO C[NH+](C)CCN(Cc1ccccn1)C[C@@H](O)c1ccc(Br)cc1 ZINC000846940093 661571513 /nfs/dbraw/zinc/57/15/13/661571513.db2.gz XPWUCKNRIUQKCD-GOSISDBHSA-N 1 0 378.314 2.941 20 0 GFADRO CC[C@H]1C[N@H+](C)CCCN1C(=O)COc1ccc(C=O)cc1Br ZINC000846989838 661572517 /nfs/dbraw/zinc/57/25/17/661572517.db2.gz WCMMTXFHWDMWNC-AWEZNQCLSA-N 1 0 383.286 2.583 20 0 GFADRO Cc1cnc(Br)cc1NC(=O)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000847171677 661579023 /nfs/dbraw/zinc/57/90/23/661579023.db2.gz JGNDCAQOVJTJQG-CQSZACIVSA-N 1 0 397.317 2.871 20 0 GFADRO C[C@@H](CNC(=O)c1cc(Br)ncc1Cl)N1C[C@@H](C)O[C@@H](C)C1 ZINC000847177641 661579648 /nfs/dbraw/zinc/57/96/48/661579648.db2.gz JKWZOGHNKJRDRB-GARJFASQSA-N 1 0 390.709 2.725 20 0 GFADRO O=C(N[C@H]1CCC[N@@H+]2CCCC[C@H]12)c1cn2c(Br)cnc2s1 ZINC000847255932 661584412 /nfs/dbraw/zinc/58/44/12/661584412.db2.gz NMQKKWVYWWFZQN-WDEREUQCSA-N 1 0 383.315 2.905 20 0 GFADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2cnc(Cl)c(Br)c2)C1 ZINC000847300552 661586732 /nfs/dbraw/zinc/58/67/32/661586732.db2.gz CZWAYIRPIUFDKZ-LBPRGKRZSA-N 1 0 390.709 2.584 20 0 GFADRO CO[C@@H](C(=O)OC[C@@H]1C[N@@H+](C(C)C)CCO1)c1ccccc1Br ZINC000847680935 661605396 /nfs/dbraw/zinc/60/53/96/661605396.db2.gz SDVREBPPNCECKW-XJKSGUPXSA-N 1 0 386.286 2.789 20 0 GFADRO C[N@@H+]1CC[C@@H](CCOC(=O)c2cn(-c3ccccc3Br)nn2)C1 ZINC000847826102 661612429 /nfs/dbraw/zinc/61/24/29/661612429.db2.gz UVEBZMSHIUAZGA-LBPRGKRZSA-N 1 0 379.258 2.528 20 0 GFADRO COCCCN(C(=O)c1cnc(F)c(Br)c1)C1CC[NH+](C)CC1 ZINC000848103644 661625092 /nfs/dbraw/zinc/62/50/92/661625092.db2.gz PHDQEYFZHJNGQT-UHFFFAOYSA-N 1 0 388.281 2.556 20 0 GFADRO CCOP(=O)(CN(C)C(=O)C1CC[NH+]([C@H]2CCSC2)CC1)OCC ZINC000848234458 661634361 /nfs/dbraw/zinc/63/43/61/661634361.db2.gz PTWCPNJALQSECU-HNNXBMFYSA-N 1 0 378.475 2.886 20 0 GFADRO O=C(N[C@H]1CCC[N@@H+]2CCCC[C@H]12)c1c(Br)nc2n1CCCC2 ZINC000848352103 661643368 /nfs/dbraw/zinc/64/33/68/661643368.db2.gz LIIOEPYYRKVDLO-QWHCGFSZSA-N 1 0 381.318 2.729 20 0 GFADRO [NH3+]C[C@H](NC(=O)C(=O)Nc1cccc(Cl)c1SC(F)F)C(F)(F)F ZINC000848602898 661667397 /nfs/dbraw/zinc/66/73/97/661667397.db2.gz JYNHOQAPTPEZNB-ZETCQYMHSA-N 1 0 391.749 2.599 20 0 GFADRO [NH3+]CC12CCC(CC1)CN2S(=O)(=O)/C=C/c1ccccc1Br ZINC000848601896 661667506 /nfs/dbraw/zinc/66/75/06/661667506.db2.gz KRSAIMRIWFLRBB-JXMROGBWSA-N 1 0 385.327 2.953 20 0 GFADRO O=C(NCCO)C1CC[NH+](Cc2oc3ccccc3c2Br)CC1 ZINC000848881952 661687733 /nfs/dbraw/zinc/68/77/33/661687733.db2.gz UQOULLZHLQXVNA-UHFFFAOYSA-N 1 0 381.270 2.516 20 0 GFADRO COc1ccc(NC(=[NH2+])NC[C@H](N2CCOCC2)C(F)(F)F)cc1Cl ZINC000849051897 661690545 /nfs/dbraw/zinc/69/05/45/661690545.db2.gz YPLQSNYJEHHMNY-ZDUSSCGKSA-N 1 0 380.798 2.548 20 0 GFADRO [NH2+]=C(NCCCn1cc(Br)cn1)Nc1ccc2c(c1)OCCCO2 ZINC000849077376 661691098 /nfs/dbraw/zinc/69/10/98/661691098.db2.gz FPYYNUWJCBWZKJ-UHFFFAOYSA-N 1 0 394.273 2.833 20 0 GFADRO COc1ccccc1CNC(=[NH2+])NCc1ccc(S(C)(=O)=O)c(Cl)c1 ZINC000849103913 661692068 /nfs/dbraw/zinc/69/20/68/661692068.db2.gz GAANYQFNWGGBQR-UHFFFAOYSA-N 1 0 381.885 2.566 20 0 GFADRO Cc1ccc(Br)c(CNC(=[NH2+])NCCNC(=O)OC(C)(C)C)c1 ZINC000849117828 661693562 /nfs/dbraw/zinc/69/35/62/661693562.db2.gz XMKNHQFKGSGYMP-UHFFFAOYSA-N 1 0 385.306 2.896 20 0 GFADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)Nc2ccc(Br)c(F)c2)cn1 ZINC000849557080 661734323 /nfs/dbraw/zinc/73/43/23/661734323.db2.gz YNELJYJWRKBRNG-KBPBESRZSA-N 1 0 395.276 2.996 20 0 GFADRO C[C@H]1C[C@@H]([NH2+]CCS(=O)(=O)CC(F)(F)F)CCN1Cc1ccccc1 ZINC000850365934 661772768 /nfs/dbraw/zinc/77/27/68/661772768.db2.gz UHJOVZPXZNEQPH-HOCLYGCPSA-N 1 0 378.460 2.606 20 0 GFADRO CCOC(=O)C(F)(F)[C@@H]1CCC[C@@H]([NH2+]CC[S@@](=O)CC(F)(F)F)C1 ZINC000850490366 661778469 /nfs/dbraw/zinc/77/84/69/661778469.db2.gz AKOUWRDZBGDUHH-UTDUZKHQSA-N 1 0 379.391 2.644 20 0 GFADRO C[C@H]([NH2+]CC[S@](=O)CC(F)(F)F)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000850496616 661779422 /nfs/dbraw/zinc/77/94/22/661779422.db2.gz PMRYSJBERJWMKC-VDBVYFBLSA-N 1 0 386.480 2.923 20 0 GFADRO [NH3+]C1C[C@H]2CCC[C@@H](C1)N2S(=O)(=O)Cc1ccc(OC(F)(F)F)cc1 ZINC000850585324 661782124 /nfs/dbraw/zinc/78/21/24/661782124.db2.gz ZFLRHFQQXJMRRM-AGUYFDCRSA-N 1 0 378.416 2.759 20 0 GFADRO C[C@]1(C(=O)N2C[C@H]([NH3+])Cc3ccccc32)CC1(Br)Br ZINC000851640642 661827526 /nfs/dbraw/zinc/82/75/26/661827526.db2.gz AFOOHIOPZQPVAL-ZWNOBZJWSA-N 1 0 388.103 2.799 20 0 GFADRO CC[NH2+][C@H](C)CNC(=O)N1CC[C@@]2(C)[C@@H](C1)C2(Br)Br ZINC000851665484 661827944 /nfs/dbraw/zinc/82/79/44/661827944.db2.gz BQCYSJFHISJNKB-FOGDFJRCSA-N 1 0 397.155 2.522 20 0 GFADRO CCOP(=O)(OCC)[C@H](O)C[N@@H+]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000851734463 661829521 /nfs/dbraw/zinc/82/95/21/661829521.db2.gz SJGLKZCMFWEKEY-KGLIPLIRSA-N 1 0 380.422 2.560 20 0 GFADRO C[C@](CO)([NH2+]CCn1cnc(Br)n1)c1cccc(C(F)(F)F)c1 ZINC000851777275 661831778 /nfs/dbraw/zinc/83/17/78/661831778.db2.gz NJVDGFUOTFBSJK-CYBMUJFWSA-N 1 0 393.207 2.557 20 0 GFADRO CC1(C)OC[C@H](C[NH+]2CCC(C(=O)Nc3ccc(Br)cn3)CC2)O1 ZINC000851825494 661835450 /nfs/dbraw/zinc/83/54/50/661835450.db2.gz JNGDBLPOZMOHAL-AWEZNQCLSA-N 1 0 398.301 2.646 20 0 GFADRO CC(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@@H]2CCC[N@H+](CC3CC3)C2)c1 ZINC000851894410 661843837 /nfs/dbraw/zinc/84/38/37/661843837.db2.gz DBOOWZATDMTOBQ-HNNXBMFYSA-N 1 0 384.929 2.943 20 0 GFADRO C[C@@H]([NH2+]CCn1cnc(Br)n1)c1cccc(N2CCCC2=O)c1 ZINC000851899518 661845101 /nfs/dbraw/zinc/84/51/01/661845101.db2.gz YWGKUUMFCKIAJA-GFCCVEGCSA-N 1 0 378.274 2.518 20 0 GFADRO COC(=O)C(C)(C)[C@H]([NH2+]CCn1cnc(Br)n1)c1ccccc1 ZINC000851904735 661845538 /nfs/dbraw/zinc/84/55/38/661845538.db2.gz AIWWZHDHTORBIZ-CYBMUJFWSA-N 1 0 381.274 2.571 20 0 GFADRO CCN(CCn1cnc(Br)n1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000851935677 661846430 /nfs/dbraw/zinc/84/64/30/661846430.db2.gz FVYPAIRONJFFAH-MRXNPFEDSA-N 1 0 378.318 2.637 20 0 GFADRO CCOP(=O)(OCC)[C@@H](O)C[NH+]1CCC([C@@](C)(O)C(F)(F)F)CC1 ZINC000851942809 661846676 /nfs/dbraw/zinc/84/66/76/661846676.db2.gz VNGVNAJPZNBFHF-CHWSQXEVSA-N 1 0 377.340 2.596 20 0 GFADRO CCOP(=O)(OCC)[C@@H](O)C[N@H+](CC(=O)N1CCCCCC1)C(C)C ZINC000852047559 661850856 /nfs/dbraw/zinc/85/08/56/661850856.db2.gz WTVKSFLEGPAVND-QGZVFWFLSA-N 1 0 378.450 2.684 20 0 GFADRO O=C(NCC1SCCS1)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000852289724 661859466 /nfs/dbraw/zinc/85/94/66/661859466.db2.gz AYCMQNLMCBJMNF-UHFFFAOYSA-N 1 0 383.505 2.897 20 0 GFADRO C[C@](O)(C[N@@H+]1CC[C@H](Cn2ccnn2)C1)c1ccc(Br)cc1Cl ZINC000852314481 661860190 /nfs/dbraw/zinc/86/01/90/661860190.db2.gz UACWRGDTSNMWHR-LRDDRELGSA-N 1 0 399.720 2.924 20 0 GFADRO O=C(NCC1SCCS1)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000852667119 661870076 /nfs/dbraw/zinc/87/00/76/661870076.db2.gz WDVNTJSDISREPV-UHFFFAOYSA-N 1 0 375.629 2.843 20 0 GFADRO C[NH+](C)CCC[C@H]1CN(C[C@H](O)c2ccc(F)c(Br)c2)CCO1 ZINC000852761523 661873796 /nfs/dbraw/zinc/87/37/96/661873796.db2.gz WZQYQHJOSDAQCY-YOEHRIQHSA-N 1 0 389.309 2.664 20 0 GFADRO O=C(C=C1CC[NH2+]CC1)NC1(c2cccc(Br)c2)CCOCC1 ZINC000852821166 661875229 /nfs/dbraw/zinc/87/52/29/661875229.db2.gz HNRFFVZQYFYSAM-UHFFFAOYSA-N 1 0 379.298 2.881 20 0 GFADRO [NH3+]C[C@@H]1CC(C(=O)N2CCC(COc3cc(Cl)cc(Cl)c3)CC2)=NO1 ZINC000852846592 661875770 /nfs/dbraw/zinc/87/57/70/661875770.db2.gz WWBLHBZBJVWICI-HNNXBMFYSA-N 1 0 386.279 2.714 20 0 GFADRO O=C([C@@H]1CCO[C@H]1c1cncc(Br)c1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000852878874 661876402 /nfs/dbraw/zinc/87/64/02/661876402.db2.gz RSIARNKLABWBHR-SOLBZPMBSA-N 1 0 394.313 2.524 20 0 GFADRO CC(C)[C@@H](C(=O)N1CC[C@@]2(C)[C@@H](C1)C2(Br)Br)[C@@H](C)[NH3+] ZINC000852901630 661876753 /nfs/dbraw/zinc/87/67/53/661876753.db2.gz MFHLUTMYEFYBCB-UZWSLXQKSA-N 1 0 396.167 2.960 20 0 GFADRO COc1ccccc1[C@H](O)C[NH2+]C[C@@H](O)COc1cccc(Br)c1 ZINC000853134668 661883168 /nfs/dbraw/zinc/88/31/68/661883168.db2.gz TZNMDOFEDPSIPP-RHSMWYFYSA-N 1 0 396.281 2.521 20 0 GFADRO O=c1ccn(C[N@@H+]2CCC3=C(CCC(=O)N3)C2)c2c(Br)cccc12 ZINC000853519046 661890671 /nfs/dbraw/zinc/89/06/71/661890671.db2.gz AEFLCASWNKJEIE-UHFFFAOYSA-N 1 0 388.265 2.591 20 0 GFADRO C[N@H+](C[C@@H]1CC1(C)C)CN1C(=O)C(=O)N(c2ccc(Br)cc2)C1=O ZINC000853627508 661895648 /nfs/dbraw/zinc/89/56/48/661895648.db2.gz XBBGSLQSXULWKL-NSHDSACASA-N 1 0 394.269 2.680 20 0 GFADRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N2CCn3ncc(Br)c3C2)C1 ZINC000853881071 661905807 /nfs/dbraw/zinc/90/58/07/661905807.db2.gz WSVNYFFXWFTRGZ-AWEZNQCLSA-N 1 0 398.349 2.539 20 0 GFADRO C[C@]1(CNC(=O)NCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)CC1(Cl)Cl ZINC000854111193 661914839 /nfs/dbraw/zinc/91/48/39/661914839.db2.gz GQUBIUNMHIENTB-NVXWUHKLSA-N 1 0 386.323 2.636 20 0 GFADRO C[C@]1(CCNC(=O)N2CCC[C@H]([NH+]3CCOCC3)CC2)CC1(Cl)Cl ZINC000854113907 661915124 /nfs/dbraw/zinc/91/51/24/661915124.db2.gz UFZZWQUTFHICTK-HOCLYGCPSA-N 1 0 378.344 2.857 20 0 GFADRO CN(C[C@H](O)c1cccc(Br)c1)C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000854312889 661924050 /nfs/dbraw/zinc/92/40/50/661924050.db2.gz HGBMBZMIFINYSI-CVEARBPZSA-N 1 0 398.345 2.997 20 0 GFADRO C[NH+]1CCC2(CCN(C(=O)COc3ccc(C=O)cc3Br)C2)CC1 ZINC000854498955 661937358 /nfs/dbraw/zinc/93/73/58/661937358.db2.gz ZDILXLOYYRVWPN-UHFFFAOYSA-N 1 0 395.297 2.585 20 0 GFADRO COc1cc(/C=C/C(=O)N2CC[C@H]([NH+](C)C)[C@H]2C)cc(Br)c1O ZINC000854655512 661945808 /nfs/dbraw/zinc/94/58/08/661945808.db2.gz QFEAMVZJAYYGCY-RPHDQRHUSA-N 1 0 383.286 2.728 20 0 GFADRO C[NH+](C)CCCC(C)(C)NC(=O)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000854830516 661955654 /nfs/dbraw/zinc/95/56/54/661955654.db2.gz XGRJOEMIBAQVAR-UHFFFAOYSA-N 1 0 380.432 2.830 20 0 GFADRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)[C@@]2(C)CC2(Br)Br)C1 ZINC000854893301 661959426 /nfs/dbraw/zinc/95/94/26/661959426.db2.gz IDCCFAYIKROIOW-CMPLNLGQSA-N 1 0 382.140 2.824 20 0 GFADRO CCN(C(=O)c1ccnc(Cl)c1I)[C@H]1CC[N@H+](C)C1 ZINC000855361936 661987947 /nfs/dbraw/zinc/98/79/47/661987947.db2.gz WYQFRMSVCZIXAD-VIFPVBQESA-N 1 0 393.656 2.506 20 0 GFADRO CCN(C(=O)c1cnn(-c2ccccc2)c1Br)[C@@H]1CC[N@H+](C)C1 ZINC000855359872 661988071 /nfs/dbraw/zinc/98/80/71/661988071.db2.gz DMWQNXQJIUCWRZ-CQSZACIVSA-N 1 0 377.286 2.801 20 0 GFADRO O=C(NCC1CC[NH+](CC2CC2)CC1)C(=O)c1ccc(Br)s1 ZINC000856414595 662032485 /nfs/dbraw/zinc/03/24/85/662032485.db2.gz OHTXRLSLKFBVJE-UHFFFAOYSA-N 1 0 385.327 2.932 20 0 GFADRO C[NH+](C)CCC[C@H]1CN(C(=O)C[C@H](O)c2cc(Cl)cc(Cl)c2)CCO1 ZINC000856428734 662033396 /nfs/dbraw/zinc/03/33/96/662033396.db2.gz DMGRBSXRPJAGBB-IRXDYDNUSA-N 1 0 389.323 2.986 20 0 GFADRO Cn1cc(C[NH2+]CCCNC(=O)c2ccc(Br)cc2)c(Cl)n1 ZINC000856769288 662043467 /nfs/dbraw/zinc/04/34/67/662043467.db2.gz XLBPODJPHIADGN-UHFFFAOYSA-N 1 0 385.693 2.746 20 0 GFADRO O=C(NCC[C@@H]1CC1(Cl)Cl)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000856947736 662053685 /nfs/dbraw/zinc/05/36/85/662053685.db2.gz DASOUJFHGXIAQZ-NVXWUHKLSA-N 1 0 386.323 2.507 20 0 GFADRO COc1ccc(Br)cc1C(=O)CCC(=O)NC1CC([NH+](C)C)C1 ZINC000857231814 662069171 /nfs/dbraw/zinc/06/91/71/662069171.db2.gz UQYJVWOTIFHDNH-UHFFFAOYSA-N 1 0 383.286 2.629 20 0 GFADRO COc1ccc(Br)cc1C[C@H](CO)C[NH2+][C@@H]1CCCc2cn[nH]c21 ZINC000857869362 662092742 /nfs/dbraw/zinc/09/27/42/662092742.db2.gz NPBPATRZEQONSX-BLLLJJGKSA-N 1 0 394.313 2.999 20 0 GFADRO Cn1cncc1C(=O)N1C[C@H]([NH+](C)C)CCc2cc(Br)ccc21 ZINC000857880169 662093129 /nfs/dbraw/zinc/09/31/29/662093129.db2.gz DHUOIAAGVWMMLV-CQSZACIVSA-N 1 0 377.286 2.706 20 0 GFADRO C[NH+](C)[C@@H]1CCc2cc(Br)ccc2N(C(=O)C[C@H]2COC(=O)C2)C1 ZINC000857880887 662093395 /nfs/dbraw/zinc/09/33/95/662093395.db2.gz NXWBKRPUTPCFPC-IUODEOHRSA-N 1 0 395.297 2.612 20 0 GFADRO Cn1nccc1C(=O)N1C[C@@H]([NH+](C)C)CCc2cc(Br)ccc21 ZINC000857882060 662093596 /nfs/dbraw/zinc/09/35/96/662093596.db2.gz FUBPIKJHCJFHCL-AWEZNQCLSA-N 1 0 377.286 2.706 20 0 GFADRO Cn1nccc1C(=O)N1C[C@H]([NH+](C)C)CCc2cc(Br)ccc21 ZINC000857882061 662093645 /nfs/dbraw/zinc/09/36/45/662093645.db2.gz FUBPIKJHCJFHCL-CQSZACIVSA-N 1 0 377.286 2.706 20 0 GFADRO COCO[C@@H](C)c1cc(F)c(C[NH2+]CC[S@](C)=O)cc1Br ZINC000858139864 662101101 /nfs/dbraw/zinc/10/11/01/662101101.db2.gz RVILIZNNBWKQSL-CWKPULSASA-N 1 0 382.295 2.738 20 0 GFADRO Cn1cc(CNc2ccc(NC(=O)CC[NH+](C)C)cc2)c(Br)n1 ZINC000858151720 662101659 /nfs/dbraw/zinc/10/16/59/662101659.db2.gz OCRZQCLFJKMPGM-UHFFFAOYSA-N 1 0 380.290 2.685 20 0 GFADRO Cn1cc(C[NH2+][C@]2(CO)CCc3cc(Br)ccc3C2)c(Cl)n1 ZINC000858241072 662105908 /nfs/dbraw/zinc/10/59/08/662105908.db2.gz WOQVGTZEAMXCPE-MRXNPFEDSA-N 1 0 384.705 2.846 20 0 GFADRO Cn1nc(Br)cc1C[NH2+]C[C@@H]1CN(c2ccc(Cl)cc2)CCO1 ZINC000858245922 662106177 /nfs/dbraw/zinc/10/61/77/662106177.db2.gz YPFGVDAMHJFDBR-OAHLLOKOSA-N 1 0 399.720 2.831 20 0 GFADRO C[C@]1(Br)C[C@H]1C(=O)NCCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000858603881 662115935 /nfs/dbraw/zinc/11/59/35/662115935.db2.gz CUCCKPAKTLKFAY-HKUYNNGSSA-N 1 0 394.357 2.879 20 0 GFADRO CC[NH+](CC)[C@@H]1CCN(S(=O)(=O)c2ccc(NC(=O)OC)c(Cl)c2)C1 ZINC000859042242 662132987 /nfs/dbraw/zinc/13/29/87/662132987.db2.gz YBCJTMFITBKVOL-GFCCVEGCSA-N 1 0 389.905 2.623 20 0 GFADRO COC(=O)Nc1ccc(S(=O)(=O)N(C)CCC[NH+]2CCCC2)cc1Cl ZINC000859147026 662140876 /nfs/dbraw/zinc/14/08/76/662140876.db2.gz YHJJNKZDHICPBX-UHFFFAOYSA-N 1 0 389.905 2.625 20 0 GFADRO COC(=O)Nc1ccc(S(=O)(=O)NC[C@H]2CCCC[N@H+](C)C2)cc1Cl ZINC000859301270 662151837 /nfs/dbraw/zinc/15/18/37/662151837.db2.gz GMCJEMIFVDITEU-GFCCVEGCSA-N 1 0 389.905 2.529 20 0 GFADRO OC[C@@H]1CCC2(CCOCC2)C[N@@H+]1C[C@@H](O)c1ccccc1Br ZINC000859524146 662166274 /nfs/dbraw/zinc/16/62/74/662166274.db2.gz WMHJDNRFSWHRME-WMLDXEAASA-N 1 0 384.314 2.736 20 0 GFADRO Cc1cc(Br)ncc1NC(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000859659005 662171480 /nfs/dbraw/zinc/17/14/80/662171480.db2.gz ACPDFQFAOHYJJT-CQSZACIVSA-N 1 0 397.317 2.775 20 0 GFADRO O=C(COC(=O)c1csc(C(F)(F)F)c1)NC1CC[NH+](C2CC2)CC1 ZINC000859878177 662177391 /nfs/dbraw/zinc/17/73/91/662177391.db2.gz FMOCUXINFGQPGP-UHFFFAOYSA-N 1 0 376.400 2.667 20 0 GFADRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)c2cc(Br)c3ncc(C=O)n3c2)C1 ZINC000859900275 662178063 /nfs/dbraw/zinc/17/80/63/662178063.db2.gz BHJLQMLCINHQHF-OLZOCXBDSA-N 1 0 393.285 2.512 20 0 GFADRO CO[C@H]1C[N@H+](C)[C@@](C)(COC(=O)Cc2sc(SC(F)F)nc2C)C1 ZINC000861354148 662241979 /nfs/dbraw/zinc/24/19/79/662241979.db2.gz XEEKWBMRJZBFGP-MEBBXXQBSA-N 1 0 380.482 2.961 20 0 GFADRO CCN(CC[NH3+])C(=O)C(=O)Nc1ccccc1SC[C@H]1CC1(Cl)Cl ZINC000861511921 662248701 /nfs/dbraw/zinc/24/87/01/662248701.db2.gz UMAYKYXXKKAMOB-LLVKDONJSA-N 1 0 390.336 2.718 20 0 GFADRO CCC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(Br)c2ncc(C=O)n2c1 ZINC000861688005 662255048 /nfs/dbraw/zinc/25/50/48/662255048.db2.gz DRHJTTFAFNFKCP-ZDUSSCGKSA-N 1 0 393.285 2.514 20 0 GFADRO C[C@@H]1CCC[N@@H+]1CCNC(=O)C(=O)Nc1cccc(SC(F)(F)F)c1 ZINC000861762515 662257959 /nfs/dbraw/zinc/25/79/59/662257959.db2.gz WKRFOLDAQNMVRB-LLVKDONJSA-N 1 0 375.416 2.838 20 0 GFADRO C[C@]1(Br)C[C@@H]1C(=O)N1CCO[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]21 ZINC000862128177 662270029 /nfs/dbraw/zinc/27/00/29/662270029.db2.gz APWOLVPWTXRQCT-VXNCWWDNSA-N 1 0 393.325 2.662 20 0 GFADRO CN(Cc1cn(C)nc1Br)C1CC[NH+](CCc2ccccn2)CC1 ZINC000862236183 662275476 /nfs/dbraw/zinc/27/54/76/662275476.db2.gz QTXLBGVMKOVCRV-UHFFFAOYSA-N 1 0 392.345 2.717 20 0 GFADRO COC(=O)[C@@H]1C[N@H+](Cc2cn(C)nc2Br)C[C@@H]1c1ccccc1 ZINC000862389595 662284492 /nfs/dbraw/zinc/28/44/92/662284492.db2.gz SYSAZKIUFCOUJV-HUUCEWRRSA-N 1 0 378.270 2.571 20 0 GFADRO C[S@](=O)[C@@H]1CCC[C@H]([NH2+]C[C@H]2CC(F)(F)CN2C(=O)OC(C)(C)C)C1 ZINC000862410799 662286011 /nfs/dbraw/zinc/28/60/11/662286011.db2.gz ITLOUZQNNYXUJW-SVWPAUMTSA-N 1 0 380.501 2.910 20 0 GFADRO CCON(CC)C(=O)C[NH2+][C@@H](C)CC(=O)Nc1cccc(Br)c1 ZINC000862453417 662288416 /nfs/dbraw/zinc/28/84/16/662288416.db2.gz VHRFWBRFVMUDJL-LBPRGKRZSA-N 1 0 386.290 2.556 20 0 GFADRO C[N@@H+]1CCCC[C@@H](CNC(=O)c2ccc(C(F)(F)Br)nc2)C1 ZINC000862795734 662301819 /nfs/dbraw/zinc/30/18/19/662301819.db2.gz LSDRSWJZOFUMAP-NSHDSACASA-N 1 0 376.245 2.988 20 0 GFADRO Cn1cnnc1SCC(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000863038070 662309312 /nfs/dbraw/zinc/30/93/12/662309312.db2.gz SCZFEKGXAIBNML-CYBMUJFWSA-N 1 0 388.324 2.633 20 0 GFADRO CC1([NH+]2CCOCC2)CCN(Cn2nc(C(F)(F)F)sc2=S)CC1 ZINC000863314224 662319786 /nfs/dbraw/zinc/31/97/86/662319786.db2.gz CUOWLXLDEQPBHM-UHFFFAOYSA-N 1 0 382.477 2.837 20 0 GFADRO O=C1Nc2ccc(Br)cc2CC[C@@H]1N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000863544622 662336307 /nfs/dbraw/zinc/33/63/07/662336307.db2.gz ZHEIUAHRBAMDEM-WMZOPIPTSA-N 1 0 378.314 2.778 20 0 GFADRO CC(C)(C[NH2+]C[C@H](O)c1ccc(F)c(Br)c1)C(=O)N1CCCC1 ZINC000863583057 662339416 /nfs/dbraw/zinc/33/94/16/662339416.db2.gz MFNUEGVDPCMUJD-HNNXBMFYSA-N 1 0 387.293 2.860 20 0 GFADRO [NH3+][C@H]1CC=C(c2nc(Cc3nc4ccc(Br)cc4c(=O)[nH]3)no2)C1 ZINC000863667624 662342867 /nfs/dbraw/zinc/34/28/67/662342867.db2.gz JWCUVWDPPGFXTE-JTQLQIEISA-N 1 0 388.225 2.576 20 0 GFADRO Cn1ncc(I)c1C[NH2+]CC1([C@@H]2CCCCO2)CCC1 ZINC000864052202 662352599 /nfs/dbraw/zinc/35/25/99/662352599.db2.gz DIDLUAQBYCDMRH-AWEZNQCLSA-N 1 0 389.281 2.854 20 0 GFADRO [NH3+]CC12CCC(CC1)N2C(=O)Nc1ccc(I)cc1F ZINC000864054775 662352898 /nfs/dbraw/zinc/35/28/98/662352898.db2.gz ASTNHEYSMSDIBZ-UHFFFAOYSA-N 1 0 389.212 2.918 20 0 GFADRO C[NH+](C)[C@@H]1C[C@@H](NC(=O)[C@@]2(C)CC2(Br)Br)C12CCC2 ZINC000864069795 662353539 /nfs/dbraw/zinc/35/35/39/662353539.db2.gz IEBMAFZTRYCQHT-CKYFFXLPSA-N 1 0 394.151 2.872 20 0 GFADRO CC[N@@H+]1CC[C@H](CNC(=O)c2cc(Br)ncc2Br)C1 ZINC000864962578 662392748 /nfs/dbraw/zinc/39/27/48/662392748.db2.gz NOBWOZJRXPUUKF-SECBINFHSA-N 1 0 391.107 2.678 20 0 GFADRO CC[NH+]1CCC(N(C)C(=O)c2ccc(I)cc2O)CC1 ZINC000865122947 662400042 /nfs/dbraw/zinc/40/00/42/662400042.db2.gz CFDAGPWVVVRKLM-UHFFFAOYSA-N 1 0 388.249 2.553 20 0 GFADRO Cn1ncc2cc(C[NH2+]C[C@H](O)COc3cccc(Cl)c3Cl)cnc21 ZINC000865430931 662421086 /nfs/dbraw/zinc/42/10/86/662421086.db2.gz VQBMSMCSFMTEKE-ZDUSSCGKSA-N 1 0 381.263 2.805 20 0 GFADRO OC[C@@H]1CCN(Cc2ccccc2)C[C@@H]1[NH2+]Cc1cccnc1Br ZINC000865470204 662423167 /nfs/dbraw/zinc/42/31/67/662423167.db2.gz GPUNNOWGLAGCSW-ROUUACIJSA-N 1 0 390.325 2.817 20 0 GFADRO C[C@](CO)(Cc1ccc(Br)cc1)[NH2+]Cc1cnn(CC(F)F)c1 ZINC000865714948 662438306 /nfs/dbraw/zinc/43/83/06/662438306.db2.gz GOUJPRLQTNQVLE-MRXNPFEDSA-N 1 0 388.256 2.994 20 0 GFADRO C[NH+]1CCC(N2CC[C@@H](NC(=O)c3cc4ccnc(Cl)c4s3)C2)CC1 ZINC000865751219 662441294 /nfs/dbraw/zinc/44/12/94/662441294.db2.gz XLVZAEVFDJDXDJ-CYBMUJFWSA-N 1 0 378.929 2.848 20 0 GFADRO Ic1cccc(C[NH2+]C[C@@H]2CC3(CO2)CCOCC3)c1 ZINC000865779852 662442980 /nfs/dbraw/zinc/44/29/80/662442980.db2.gz PRHOWHXOWBYXKT-HNNXBMFYSA-N 1 0 387.261 2.967 20 0 GFADRO NS(=O)(=O)c1cc(C[NH2+]CCSCCC(F)(F)F)ccc1Cl ZINC000865787974 662443738 /nfs/dbraw/zinc/44/37/38/662443738.db2.gz BSZRIXAXDBPQLK-UHFFFAOYSA-N 1 0 376.853 2.763 20 0 GFADRO CC(C)(C[NH2+]CC1=Cc2cc(Cl)cc(Cl)c2OC1)CS(N)(=O)=O ZINC000865813265 662444938 /nfs/dbraw/zinc/44/49/38/662444938.db2.gz MAGROCYIRJDQNG-UHFFFAOYSA-N 1 0 379.309 2.674 20 0 GFADRO CS(=O)(=O)c1ccc(C[NH2+][C@H]2C[C@H](C(=O)OCc3ccccc3)C2)s1 ZINC000865826193 662446069 /nfs/dbraw/zinc/44/60/69/662446069.db2.gz LNZCUPOUYPDVHF-SHTZXODSSA-N 1 0 379.503 2.763 20 0 GFADRO CC(=O)N[C@@H](C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)c1cccc(Br)c1 ZINC000866058856 662458836 /nfs/dbraw/zinc/45/88/36/662458836.db2.gz GZBRZRSEGMXKBA-MLGOLLRUSA-N 1 0 398.345 2.719 20 0 GFADRO C[C@@H]([NH2+]C1CCN(CCS(C)(=O)=O)CC1)c1cc2c(ccnc2Cl)o1 ZINC000866262143 662466075 /nfs/dbraw/zinc/46/60/75/662466075.db2.gz HRSJAZMYTXRZLQ-GFCCVEGCSA-N 1 0 385.917 2.641 20 0 GFADRO CC(C)(C[NH2+][C@H]1CCSc2ccc(Br)cc21)CS(N)(=O)=O ZINC000866571151 662480804 /nfs/dbraw/zinc/48/08/04/662480804.db2.gz VJGOFDIVJQQJPQ-LBPRGKRZSA-N 1 0 393.372 2.890 20 0 GFADRO CO[C@@H](c1ccccc1)[C@H](C)[NH2+]Cc1c(I)cnn1C ZINC000866631210 662485980 /nfs/dbraw/zinc/48/59/80/662485980.db2.gz IWMYZKSEKGQUJU-XHDPSFHLSA-N 1 0 385.249 2.891 20 0 GFADRO Cc1ccc(Br)c(CS(=O)(=O)N2CCC[C@@H]([C@H](C)[NH3+])C2)c1 ZINC000866739814 662493474 /nfs/dbraw/zinc/49/34/74/662493474.db2.gz JPHZSJHADZROOW-QWHCGFSZSA-N 1 0 375.332 2.647 20 0 GFADRO Cc1nc(S(=O)(=O)N2CCC3(C2)CC[NH2+]CC3)c(-c2ccccc2)s1 ZINC000866760809 662495598 /nfs/dbraw/zinc/49/55/98/662495598.db2.gz YNXFHQGOWFINHH-UHFFFAOYSA-N 1 0 377.535 2.883 20 0 GFADRO O=S(=O)(c1ccc2onc(Cl)c2c1)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000866766070 662496006 /nfs/dbraw/zinc/49/60/06/662496006.db2.gz HYUQMCOVPWZFIG-QWHCGFSZSA-N 1 0 383.901 2.882 20 0 GFADRO [NH3+][C@H]1C[C@@H](CNS(=O)(=O)c2csnc2-c2cccc(C(F)(F)F)c2)C1 ZINC000866806149 662500291 /nfs/dbraw/zinc/50/02/91/662500291.db2.gz UDHSQDRXCFBXGM-WVSHTKLVSA-N 1 0 391.440 2.845 20 0 GFADRO O=S(=O)(Cc1ccc(OC(F)(F)F)cc1)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000866810313 662500643 /nfs/dbraw/zinc/50/06/43/662500643.db2.gz UCULSSAHCFKRFO-BTTYYORXSA-N 1 0 378.416 2.535 20 0 GFADRO O=S(=O)(c1oc2ccccc2c1Br)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000866821834 662501885 /nfs/dbraw/zinc/50/18/85/662501885.db2.gz AXLPRQAHMUEZNN-NWDGAFQWSA-N 1 0 385.283 2.710 20 0 GFADRO O=S(=O)(c1c(Cl)cccc1Br)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000866824634 662502221 /nfs/dbraw/zinc/50/22/21/662502221.db2.gz NDSJEWYGRYDWRU-RYUDHWBXSA-N 1 0 379.707 2.618 20 0 GFADRO O=S(=O)(c1ccc(Cl)cc1Br)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000866825367 662502223 /nfs/dbraw/zinc/50/22/23/662502223.db2.gz QBMPPBXAJKXRNW-NEPJUHHUSA-N 1 0 379.707 2.618 20 0 GFADRO O=S(=O)(c1cc(Br)ccc1Cl)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000866827628 662502376 /nfs/dbraw/zinc/50/23/76/662502376.db2.gz QBMSKTMZVWUUKT-RYUDHWBXSA-N 1 0 379.707 2.618 20 0 GFADRO C[NH+](C)C[C@@H]1CN(S(=O)(=O)C[C@]2(C)CC2(Cl)Cl)c2ccccc2O1 ZINC000866961682 662512088 /nfs/dbraw/zinc/51/20/88/662512088.db2.gz CCPQGWZOCURJII-DOMZBBRYSA-N 1 0 393.336 2.729 20 0 GFADRO CS[C@@H]1CN(C(=O)c2nc(Br)sc2Cl)C[C@@H]1[NH+](C)C ZINC000867021691 662517134 /nfs/dbraw/zinc/51/71/34/662517134.db2.gz YBBSRBNEESWATG-NKWVEPMBSA-N 1 0 384.752 2.677 20 0 GFADRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1S(=O)(=O)c1cc2nc(Cl)ncc2s1 ZINC000867268112 662537318 /nfs/dbraw/zinc/53/73/18/662537318.db2.gz LTGUGOLEHWUNEN-ZYHUDNBSSA-N 1 0 386.930 2.592 20 0 GFADRO CS[C@@H]1CN(C(=O)c2ccc(N=S(C)(C)=O)cc2)C[C@H]1[NH+]1CCCC1 ZINC000867383333 662546722 /nfs/dbraw/zinc/54/67/22/662546722.db2.gz VSDMQSZWFQMPAN-IAGOWNOFSA-N 1 0 381.567 2.698 20 0 GFADRO Cc1ncc2c(n1)CCC[C@@H]2NC(=O)[C@@H]([NH3+])c1cccc(Br)c1 ZINC000867927146 662587777 /nfs/dbraw/zinc/58/77/77/662587777.db2.gz CCCVNGRFPAYXHC-HOTGVXAUSA-N 1 0 375.270 2.741 20 0 GFADRO [NH3+][C@@H](C(=O)NCCc1ccc2c(c1)CCO2)c1cccc(Br)c1 ZINC000867958098 662589441 /nfs/dbraw/zinc/58/94/41/662589441.db2.gz IFDAWUZLRIZUDW-QGZVFWFLSA-N 1 0 375.266 2.743 20 0 GFADRO [NH3+][C@H](C(=O)NCCc1ccc2c(c1)CCO2)c1cccc(Br)c1 ZINC000867958097 662589457 /nfs/dbraw/zinc/58/94/57/662589457.db2.gz IFDAWUZLRIZUDW-KRWDZBQOSA-N 1 0 375.266 2.743 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCN(C(=O)c2c(F)ccc(I)c2Cl)C1 ZINC000867968940 662589877 /nfs/dbraw/zinc/58/98/77/662589877.db2.gz IFTNCIQQYKVXRF-YUMQZZPRSA-N 1 0 396.631 2.893 20 0 GFADRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)c1c(F)ccc(I)c1Cl ZINC000867973575 662590221 /nfs/dbraw/zinc/59/02/21/662590221.db2.gz DACBIBUIERJSBD-RCOVLWMOSA-N 1 0 382.604 2.645 20 0 GFADRO C[C@@]1([NH3+])CCN(C(=O)c2cccc(NC(=O)c3ccc(Br)o3)c2)C1 ZINC000868074743 662593779 /nfs/dbraw/zinc/59/37/79/662593779.db2.gz RCPNERKSYDBXGV-QGZVFWFLSA-N 1 0 392.253 2.858 20 0 GFADRO [NH3+][C@H]1CCCCCN(C(=O)Nc2cc3c(cc2Br)OCCO3)C1 ZINC000868093498 662594431 /nfs/dbraw/zinc/59/44/31/662594431.db2.gz GZBNSRNVZLOONS-NSHDSACASA-N 1 0 384.274 2.956 20 0 GFADRO [NH3+]CC[C@H](NC(=O)N[C@@H]1[C@@H]2Cc3ccc(Br)cc3[C@@H]21)C(F)(F)F ZINC000868168839 662597412 /nfs/dbraw/zinc/59/74/12/662597412.db2.gz ZZOMHIWVNXVXCE-MROQNXINSA-N 1 0 392.219 2.666 20 0 GFADRO [NH3+]CC12CCC(CC1)N2C(=O)C(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000868290250 662600549 /nfs/dbraw/zinc/60/05/49/662600549.db2.gz ZGMYCISOKWHCOZ-UHFFFAOYSA-N 1 0 375.778 2.780 20 0 GFADRO CSc1nc2ccc(NC(=O)C(=O)N[C@H]3CC[C@H](C[NH3+])CC3)cc2s1 ZINC000868287937 662600572 /nfs/dbraw/zinc/60/05/72/662600572.db2.gz QBWXWZHZRBVIPF-XYPYZODXSA-N 1 0 378.523 2.590 20 0 GFADRO C[NH+](C)[C@H]1CCc2cc(NC(=O)Cn3ccc(Br)cc3=O)ccc21 ZINC000868725466 662616517 /nfs/dbraw/zinc/61/65/17/662616517.db2.gz JWWOIZAAXMRCNW-INIZCTEOSA-N 1 0 390.281 2.798 20 0 GFADRO C[NH+](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCC[C@]1(C)CC1(Cl)Cl ZINC000868734143 662617059 /nfs/dbraw/zinc/61/70/59/662617059.db2.gz LKGGWILMZZLTQI-XHDPSFHLSA-N 1 0 382.332 2.532 20 0 GFADRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)N[C@@H]2[C@@H]3Cc4ccc(Br)cc4[C@@H]32)C1 ZINC000868752706 662617657 /nfs/dbraw/zinc/61/76/57/662617657.db2.gz WXBNSHKVIKKJSY-DEXRLRLJSA-N 1 0 378.314 2.727 20 0 GFADRO CN(C[C@H](O)COc1cc(Cl)cc(Cl)c1)C(=O)CCCC[NH+](C)C ZINC000869714361 662658787 /nfs/dbraw/zinc/65/87/87/662658787.db2.gz AFRFDMRPJRJULG-HNNXBMFYSA-N 1 0 377.312 2.923 20 0 GFADRO CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)c2c(Cl)cccc2Br)C1 ZINC000869775550 662661215 /nfs/dbraw/zinc/66/12/15/662661215.db2.gz OORNQXWWIPOPOS-JTQLQIEISA-N 1 0 375.694 2.678 20 0 GFADRO CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)c2oc3ccccc3c2Br)C1 ZINC000869775804 662661262 /nfs/dbraw/zinc/66/12/62/662661262.db2.gz TXTDOZOLDYYRKK-NSHDSACASA-N 1 0 381.270 2.770 20 0 GFADRO C[NH+]1CCN(c2ccnc(NC(=O)c3ccc(Cl)c(N)c3Cl)c2)CC1 ZINC000870666966 662698215 /nfs/dbraw/zinc/69/82/15/662698215.db2.gz OZYVOTVKZRVDTK-UHFFFAOYSA-N 1 0 380.279 2.975 20 0 GFADRO CCN1CCc2nc(NC(=O)[C@H]([NH3+])c3cccc(Br)c3)sc2C1 ZINC000870861328 662703849 /nfs/dbraw/zinc/70/38/49/662703849.db2.gz QIXRBDRYWPCISA-CQSZACIVSA-N 1 0 395.326 2.922 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)CCC12CC(C1)C[NH2+]2 ZINC000870878063 662704359 /nfs/dbraw/zinc/70/43/59/662704359.db2.gz AHNJWLLNDFBFFF-UHFFFAOYSA-N 1 0 394.313 2.735 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)CC[NH2+]CC1CC1 ZINC000870878797 662704540 /nfs/dbraw/zinc/70/45/40/662704540.db2.gz RLUHLWHGZLMQOX-UHFFFAOYSA-N 1 0 382.302 2.592 20 0 GFADRO O=C(CCC12CC(C1)C[NH2+]2)N[C@H]1CCN(c2ccccc2Br)C1 ZINC000870885864 662704855 /nfs/dbraw/zinc/70/48/55/662704855.db2.gz PMQMGEGDRCEROQ-FVRSWCFKSA-N 1 0 378.314 2.676 20 0 GFADRO CO[C@H](C)c1nc(CNC(=O)[C@@H]([NH3+])c2cccc(Br)c2)cs1 ZINC000870901981 662707406 /nfs/dbraw/zinc/70/74/06/662707406.db2.gz JNRZBFQQCJXPRC-RNCFNFMXSA-N 1 0 384.299 2.929 20 0 GFADRO [NH3+][C@H]1CC[C@H](C(=O)N2CCN(Cc3ccc(Br)cc3)CC2)CC1 ZINC000870907698 662707783 /nfs/dbraw/zinc/70/77/83/662707783.db2.gz VRYQOMVETYLRTF-JCNLHEQBSA-N 1 0 380.330 2.611 20 0 GFADRO O=C(c1c(F)ccc(I)c1Cl)N1CCC[NH2+]CC1 ZINC000870933527 662708966 /nfs/dbraw/zinc/70/89/66/662708966.db2.gz OMIRJFUTGRUVKS-UHFFFAOYSA-N 1 0 382.604 2.519 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CN(C(=O)c2ccc(OC(F)(F)F)cc2Br)CCO1 ZINC000870938489 662709116 /nfs/dbraw/zinc/70/91/16/662709116.db2.gz QGSDCPALPDRUBQ-PELKAZGASA-N 1 0 397.191 2.536 20 0 GFADRO CC(C)[NH+]1CCC(CCNC(=O)c2cnn3cc(Br)cnc23)CC1 ZINC000870956060 662711456 /nfs/dbraw/zinc/71/14/56/662711456.db2.gz FUOPPGQQSPVLAT-UHFFFAOYSA-N 1 0 394.317 2.732 20 0 GFADRO [NH3+][C@H]1C[C@@H](CNC(=O)c2nn(-c3cccc(Br)c3)c3c2CCC3)C1 ZINC000870964882 662711739 /nfs/dbraw/zinc/71/17/39/662711739.db2.gz DGPSASBXAHGMTE-BJHJDKERSA-N 1 0 389.297 2.591 20 0 GFADRO CCOc1cc(Br)c(CC(=O)NC[C@H]2C[C@H]([NH3+])C2)cc1OCC ZINC000870969252 662711750 /nfs/dbraw/zinc/71/17/50/662711750.db2.gz GGRNJFDCNDNMPI-AULYBMBSSA-N 1 0 385.302 2.643 20 0 GFADRO Cc1ccc(I)c(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000870974109 662711812 /nfs/dbraw/zinc/71/18/12/662711812.db2.gz FZVQABKKKQEYMS-CLLJXQQHSA-N 1 0 384.261 2.860 20 0 GFADRO Cn1c(-c2ccc(F)cc2Br)nnc1N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000871044870 662713985 /nfs/dbraw/zinc/71/39/85/662713985.db2.gz CNCCAZNKZWJYPM-ABAIWWIYSA-N 1 0 394.292 2.914 20 0 GFADRO Cn1c(-c2cccc(Br)c2)nnc1N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000871046253 662714219 /nfs/dbraw/zinc/71/42/19/662714219.db2.gz WNAUKDLTFQPZGO-DZGCQCFKSA-N 1 0 376.302 2.775 20 0 GFADRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2cc(Cl)ccc2Cl)C[C@H]1C(F)(F)F ZINC000871809731 662734757 /nfs/dbraw/zinc/73/47/57/662734757.db2.gz BHNOJYYYKMIZON-VXNVDRBHSA-N 1 0 377.215 2.751 20 0 GFADRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2csc(-c3ccccc3)n2)C[C@H]1C(F)(F)F ZINC000871812470 662735059 /nfs/dbraw/zinc/73/50/59/662735059.db2.gz ADJVTQQHEFTHHD-VXGBXAGGSA-N 1 0 391.440 2.568 20 0 GFADRO [NH3+]C[C@H]1CN(S(=O)(=O)c2ccc(F)c(C(F)F)c2)C[C@H]1C(F)(F)F ZINC000871813018 662735258 /nfs/dbraw/zinc/73/52/58/662735258.db2.gz NLXSGGAJMKQSGJ-OIBJUYFYSA-N 1 0 376.322 2.521 20 0 GFADRO COc1cccc(Br)c1CS(=O)(=O)N(C)CCCCCC[NH3+] ZINC000871823022 662736123 /nfs/dbraw/zinc/73/61/23/662736123.db2.gz MZKGJGQOGYPZQQ-UHFFFAOYSA-N 1 0 393.347 2.738 20 0 GFADRO CCOC(=O)[C@H](C)C1C[NH+](C[C@@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000871993224 662750086 /nfs/dbraw/zinc/75/00/86/662750086.db2.gz NCIFYOBALIIKHZ-BXUZGUMPSA-N 1 0 376.280 2.864 20 0 GFADRO O[C@H](C[NH2+][C@H](c1cccc(Br)c1)[C@@H]1CCOC1)C1CCOCC1 ZINC000872050380 662754709 /nfs/dbraw/zinc/75/47/09/662754709.db2.gz ZKIDHELQCLFANC-KBAYOESNSA-N 1 0 384.314 2.904 20 0 GFADRO C[C@H](C[NH2+][C@@H](c1cccc(Br)c1)[C@H]1CCOC1)S(C)(=O)=O ZINC000872051157 662754909 /nfs/dbraw/zinc/75/49/09/662754909.db2.gz HQDKKAGLAKRVBV-ZLDLUXBVSA-N 1 0 376.316 2.549 20 0 GFADRO [NH3+]C[C@H]1CN(Cc2cc3c(c(Br)c2)OCO3)C[C@@H]1C(F)(F)F ZINC000872148915 662756649 /nfs/dbraw/zinc/75/66/49/662756649.db2.gz LKXPQCRJBPGDHX-UWVGGRQHSA-N 1 0 381.192 2.747 20 0 GFADRO Cc1ccc(NC(=O)CN2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)c(Br)c1 ZINC000872150302 662756796 /nfs/dbraw/zinc/75/67/96/662756796.db2.gz ZIAAZRHREJSTGB-GHMZBOCLSA-N 1 0 394.235 2.765 20 0 GFADRO CC(=O)N[C@@H](c1nc(C2CC[NH2+]CC2)no1)c1cccc(Br)c1 ZINC000872171878 662757396 /nfs/dbraw/zinc/75/73/96/662757396.db2.gz VMKBXVKMVGSQQG-CQSZACIVSA-N 1 0 379.258 2.525 20 0 GFADRO O=S(=O)(CC[NH2+]CC[C@@H]1CCSC1)c1cccc(Br)c1 ZINC000872217098 662758284 /nfs/dbraw/zinc/75/82/84/662758284.db2.gz NDXHDVHZVUUXOU-GFCCVEGCSA-N 1 0 378.357 2.956 20 0 GFADRO COc1ccc(COC[C@H](O)C[NH2+]Cc2ccc(Br)cn2)cc1 ZINC000872234531 662758654 /nfs/dbraw/zinc/75/86/54/662758654.db2.gz UFUOSVUVUGTVIW-MRXNPFEDSA-N 1 0 381.270 2.520 20 0 GFADRO O[C@@H](C[NH2+]CC1(c2ccc(Br)cc2)CC1)COC1CCOCC1 ZINC000872248151 662759238 /nfs/dbraw/zinc/75/92/38/662759238.db2.gz QSZMKGMCTUCZOI-INIZCTEOSA-N 1 0 384.314 2.627 20 0 GFADRO CCOC1CC2(C[C@H]2[NH2+]C[C@@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000872252163 662759374 /nfs/dbraw/zinc/75/93/74/662759374.db2.gz XGFYLYACSCQQES-CRYBEJKASA-N 1 0 388.277 2.875 20 0 GFADRO CC(C)(C)[S@](C)(=O)=NS(=O)(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000872441717 662766984 /nfs/dbraw/zinc/76/69/84/662766984.db2.gz KVIPQDAHYGSIJO-DEOSSOPVSA-N 1 0 393.619 2.762 20 0 GFADRO COCCN(CC1CC[NH+](C)CC1)Cn1ncc(Br)c1C1CC1 ZINC000872631877 662781351 /nfs/dbraw/zinc/78/13/51/662781351.db2.gz LPXRKOHTALYCIC-UHFFFAOYSA-N 1 0 385.350 2.771 20 0 GFADRO COCCC[N@H+](C)CCNC(=O)NCc1cc(C(F)(F)F)cc(Cl)n1 ZINC000872908830 662793280 /nfs/dbraw/zinc/79/32/80/662793280.db2.gz XDDSFIBMAYJIMC-UHFFFAOYSA-N 1 0 382.814 2.521 20 0 GFADRO CC(=O)N1CCC(C[NH2+]Cc2cccc(F)c2I)CC1 ZINC000873046307 662797371 /nfs/dbraw/zinc/79/73/71/662797371.db2.gz OUHXTFGEDAWANB-UHFFFAOYSA-N 1 0 390.240 2.778 20 0 GFADRO NC(=O)[C@@H]1CCC[C@@H]([NH2+]Cc2cccc(F)c2I)C1 ZINC000873056761 662797916 /nfs/dbraw/zinc/79/79/16/662797916.db2.gz ISPWRTNPHORXAI-MWLCHTKSSA-N 1 0 376.213 2.564 20 0 GFADRO O=C1C[C@H](C[NH2+]Cc2cccc(F)c2I)CN1C1CC1 ZINC000873133533 662801110 /nfs/dbraw/zinc/80/11/10/662801110.db2.gz QUWARLMXODDOKB-SNVBAGLBSA-N 1 0 388.224 2.531 20 0 GFADRO NS(=O)(=O)c1ccc(CNc2ccc3c([nH+]2)CCCC3)cc1Br ZINC000873188753 662803770 /nfs/dbraw/zinc/80/37/70/662803770.db2.gz KEVGNJUCYXLQQK-UHFFFAOYSA-N 1 0 396.310 2.982 20 0 GFADRO [NH3+]C[C@H]1CN(Cc2cnc3ccc(Br)cn23)C[C@H]1C(F)(F)F ZINC000873227744 662804128 /nfs/dbraw/zinc/80/41/28/662804128.db2.gz LRYXLWKDMYPKOP-JOYOIKCWSA-N 1 0 377.208 2.666 20 0 GFADRO CCOC(=O)c1sc(NC(=O)N2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)cc1C ZINC000873307204 662805096 /nfs/dbraw/zinc/80/50/96/662805096.db2.gz KBNVZYTXNWNPIK-VHSXEESVSA-N 1 0 379.404 2.834 20 0 GFADRO COC(=O)c1cc(Cl)ccc1NC(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000873313579 662805223 /nfs/dbraw/zinc/80/52/23/662805223.db2.gz NJRAIKFXXAXMNW-KCJUWKMLSA-N 1 0 379.766 2.728 20 0 GFADRO COC(=O)c1cc(Cl)ccc1NC(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000873313577 662805241 /nfs/dbraw/zinc/80/52/41/662805241.db2.gz NJRAIKFXXAXMNW-GZMMTYOYSA-N 1 0 379.766 2.728 20 0 GFADRO COc1ccccc1[C@H]1CSCCCN1C(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000873333107 662805751 /nfs/dbraw/zinc/80/57/51/662805751.db2.gz OWTXRKOXLRFOMU-TZMCWYRMSA-N 1 0 377.432 2.774 20 0 GFADRO CCc1ccc(Br)c(NC(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000873732140 662812740 /nfs/dbraw/zinc/81/27/40/662812740.db2.gz JPCFHANZEPNLLO-WCQYABFASA-N 1 0 382.302 2.549 20 0 GFADRO CCc1ccc(Br)c(NC(=O)C(=O)NC[C@H]2CCCC[N@H+](C)C2)c1 ZINC000873954334 662819680 /nfs/dbraw/zinc/81/96/80/662819680.db2.gz JKESSNVVPHOIGD-CQSZACIVSA-N 1 0 396.329 2.798 20 0 GFADRO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)C2(Br)CC2)c1 ZINC000874063370 662821631 /nfs/dbraw/zinc/82/16/31/662821631.db2.gz BQVRQIKGJISFCW-UHFFFAOYSA-N 1 0 382.302 2.624 20 0 GFADRO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)C(=O)Nc1nc(-c2cccs2)cs1 ZINC000874370369 662830258 /nfs/dbraw/zinc/83/02/58/662830258.db2.gz XOKZGVBNWZDFIA-CHWSQXEVSA-N 1 0 376.507 2.505 20 0 GFADRO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)Cc1noc2ccc(Br)cc21 ZINC000874824985 662837311 /nfs/dbraw/zinc/83/73/11/662837311.db2.gz NGMGEVZQCPOCEW-GJZGRUSLSA-N 1 0 378.270 2.828 20 0 GFADRO C[NH+]1CCN(C(C)(C)CNC(=O)NCc2ccc(C(F)(F)F)s2)CC1 ZINC000875046709 662841270 /nfs/dbraw/zinc/84/12/70/662841270.db2.gz WZXYHOOBGJYUEC-UHFFFAOYSA-N 1 0 378.464 2.592 20 0 GFADRO Cc1ccc(NC(=O)[C@@H]2CC[N@@H+](C)C[C@H]2c2cnn(C)c2)c(Br)n1 ZINC000875474103 662846592 /nfs/dbraw/zinc/84/65/92/662846592.db2.gz NKFSCYFHRAHQFZ-KGLIPLIRSA-N 1 0 392.301 2.560 20 0 GFADRO CC(C)n1ncc(C(=O)Nc2ccnc(OCC[NH+](C)C)c2)c1Br ZINC000875504398 662847033 /nfs/dbraw/zinc/84/70/33/662847033.db2.gz BRMWWTWRHJNBSD-UHFFFAOYSA-N 1 0 396.289 2.814 20 0 GFADRO C[NH+](C)C[C@H](NC(=O)NOC[C@@H]1CCOC1)c1ccc(Cl)c(Cl)c1 ZINC000875524125 662847335 /nfs/dbraw/zinc/84/73/35/662847335.db2.gz BHXGTQQVLXPTCO-ABAIWWIYSA-N 1 0 376.284 2.863 20 0 GFADRO CC1=NO[C@@H](CNC(=O)N(CC[NH+](C)C)Cc2ccc(Br)cc2)C1 ZINC000875979387 662854315 /nfs/dbraw/zinc/85/43/15/662854315.db2.gz USXGMTOMSLAAQI-MRXNPFEDSA-N 1 0 397.317 2.687 20 0 GFADRO COCCN(CC1CC[NH+](C)CC1)C(=O)c1cc(Br)ccc1OC ZINC000876164352 662856101 /nfs/dbraw/zinc/85/61/01/662856101.db2.gz IXYFJBXBNVZHRD-UHFFFAOYSA-N 1 0 399.329 2.888 20 0 GFADRO C[C@@H]1CCN(C(=O)NCc2ccc(Br)cn2)C[C@@H]1n1ccnc1 ZINC000876215029 662856851 /nfs/dbraw/zinc/85/68/51/662856851.db2.gz JBWONPHRESRLFR-DOMZBBRYSA-N 1 0 378.274 2.833 20 0 GFADRO COC[C@H](NC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1)c1cccc(Br)c1 ZINC000876232928 662857632 /nfs/dbraw/zinc/85/76/32/662857632.db2.gz UFNGBMYMBCDDFF-SJORKVTESA-N 1 0 394.313 2.792 20 0 GFADRO C[C@]1(Br)C[C@@H]1C(=O)Nc1cccc(C(=O)OC2CC[NH2+]CC2)c1 ZINC000876519538 662862382 /nfs/dbraw/zinc/86/23/82/662862382.db2.gz HBSLLYBOGWQNLF-PBHICJAKSA-N 1 0 381.270 2.707 20 0 GFADRO O=C(Nc1ccnn1Cc1ccc(Br)cc1)[C@@H](F)[C@H]1CC[NH2+]C1 ZINC000876563495 662862836 /nfs/dbraw/zinc/86/28/36/662862836.db2.gz JEOSOINPPRXEGN-WFASDCNBSA-N 1 0 381.249 2.580 20 0 GFADRO Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)NCc1ccc(Br)s1 ZINC000876599865 662863290 /nfs/dbraw/zinc/86/32/90/662863290.db2.gz BUECCNCMHOFFPX-LLVKDONJSA-N 1 0 383.315 2.870 20 0 GFADRO COc1ccc(I)c(NC(=O)/C=C/[C@H]2CCC[NH2+]C2)c1 ZINC000876626504 662863656 /nfs/dbraw/zinc/86/36/56/662863656.db2.gz AVXAKQLPHCFKJS-TZOMUSMUSA-N 1 0 386.233 2.794 20 0 GFADRO [NH3+]C[C@@H]1[C@H](C(=O)Nc2ccc(CCn3cc(Br)cn3)cc2)C1(F)F ZINC000876677345 662864616 /nfs/dbraw/zinc/86/46/16/662864616.db2.gz MNDVJEMDXLAFKD-ZIAGYGMSSA-N 1 0 399.239 2.667 20 0 GFADRO O=C(/C=C\[C@H]1CCC[NH2+]C1)Nc1cc(Br)ccc1N1CCOCC1 ZINC000876713155 662865215 /nfs/dbraw/zinc/86/52/15/662865215.db2.gz MKHBZNDCXFMASW-JHAQOBCDSA-N 1 0 394.313 2.780 20 0 GFADRO CC1(C)[C@H]([NH3+])C[C@H]1C(=O)Nc1cc(Br)ccc1N1CCOCC1 ZINC000876712243 662865248 /nfs/dbraw/zinc/86/52/48/662865248.db2.gz CRKXUOWQIFESRR-SWLSCSKDSA-N 1 0 382.302 2.598 20 0 GFADRO O=C([C@@H]1[C@@H]2Cc3cc(Br)ccc3[C@@H]21)N1CCC2(C1)CC[NH2+]CC2 ZINC000876792948 662866549 /nfs/dbraw/zinc/86/65/49/662866549.db2.gz AKPAOFOOWVYMOQ-IXDOHACOSA-N 1 0 375.310 2.937 20 0 GFADRO O=C([C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000876844320 662867238 /nfs/dbraw/zinc/86/72/38/662867238.db2.gz ZDOZWQPBURAOGH-NOCIGQNYSA-N 1 0 375.310 2.937 20 0 GFADRO COC(=O)c1ccc(C[NH2+]CCCNc2ncccn2)cc1Br ZINC000876874868 662867522 /nfs/dbraw/zinc/86/75/22/662867522.db2.gz MCGXPNYLFWRZBA-UHFFFAOYSA-N 1 0 379.258 2.618 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)c2ccc(SC(F)(F)F)nc2)CC12CCOCC2 ZINC000876868227 662867549 /nfs/dbraw/zinc/86/75/49/662867549.db2.gz AVQMSTSXQYWOKG-GFCCVEGCSA-N 1 0 375.416 2.521 20 0 GFADRO CC(C)n1ncc(C(=O)N2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)c1Br ZINC000876918480 662868153 /nfs/dbraw/zinc/86/81/53/662868153.db2.gz IMWQJAUANQVKPG-LSDHHAIUSA-N 1 0 399.333 2.585 20 0 GFADRO CCn1cnnc1C[NH2+][C@@H]1CCN(C)[C@H](c2ccc(Br)cc2)C1 ZINC000876935490 662868396 /nfs/dbraw/zinc/86/83/96/662868396.db2.gz SWHXSZSEXKFAFK-CVEARBPZSA-N 1 0 378.318 2.986 20 0 GFADRO O=C(N[C@H]1C[NH2+]CC[C@H]1c1cccc(F)c1)c1cc(Br)cnc1F ZINC000876965001 662868758 /nfs/dbraw/zinc/86/87/58/662868758.db2.gz XZGDQTOYRCJPEV-ZFWWWQNUSA-N 1 0 396.235 2.998 20 0 GFADRO Cn1ncc(C[NH3+])c1C(=O)N(Cc1cccc(Br)c1)CC1CC1 ZINC000876988952 662869213 /nfs/dbraw/zinc/86/92/13/662869213.db2.gz NDYCVVRNTSYPSL-UHFFFAOYSA-N 1 0 377.286 2.694 20 0 GFADRO CS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCCc3cccc(C[NH3+])c32)c1 ZINC000877016193 662869663 /nfs/dbraw/zinc/86/96/63/662869663.db2.gz COHDNQIJPJNVIJ-UHFFFAOYSA-N 1 0 378.881 2.795 20 0 GFADRO C[NH2+]CCOCCN(C)C(=O)c1ccc(-c2ccc(Br)cc2)n1C ZINC000877028846 662869945 /nfs/dbraw/zinc/86/99/45/662869945.db2.gz GFEHEFNSRAAUKV-UHFFFAOYSA-N 1 0 394.313 2.763 20 0 GFADRO C[C@@](O)(C[NH2+]Cc1cnn2cc(Br)cnc12)c1ccc(F)cc1F ZINC000877039817 662870071 /nfs/dbraw/zinc/87/00/71/662870071.db2.gz JWCBCIWTHQWOFL-MRXNPFEDSA-N 1 0 397.223 2.767 20 0 GFADRO [NH3+]CC1(NC(=O)COc2ccc(C3SCCCS3)cc2)CCOCC1 ZINC000877046781 662870206 /nfs/dbraw/zinc/87/02/06/662870206.db2.gz TUMFMTOQPDXFJS-UHFFFAOYSA-N 1 0 382.551 2.558 20 0 GFADRO C[C@@H](C[NH2+]CC1CCS(=O)(=O)CC1)Oc1cccc(Br)c1 ZINC000877069489 662870598 /nfs/dbraw/zinc/87/05/98/662870598.db2.gz BHRONLJAKNGFSB-LBPRGKRZSA-N 1 0 376.316 2.631 20 0 GFADRO O=C(C(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1)c1cc(Cl)cc(Cl)c1 ZINC000877115707 662871335 /nfs/dbraw/zinc/87/13/35/662871335.db2.gz MHEFJYMITRROOI-MRXNPFEDSA-N 1 0 385.291 2.793 20 0 GFADRO Brc1cnc2c(C[NH2+][C@@H]3CC[C@@H]4SCCS[C@H]34)cnn2c1 ZINC000877130089 662871571 /nfs/dbraw/zinc/87/15/71/662871571.db2.gz SYRDYPHUSZFZPL-FRRDWIJNSA-N 1 0 385.356 2.961 20 0 GFADRO [NH3+][C@H](CC(=O)N1CC2(CCOCC2)c2ccc(Br)cc21)C1CC1 ZINC000877139641 662871729 /nfs/dbraw/zinc/87/17/29/662871729.db2.gz UWXLJGGDBPHFTN-OAHLLOKOSA-N 1 0 379.298 2.971 20 0 GFADRO [NH3+]CC12CCC(CC1)N2C(=O)c1cc(=O)[nH]c2c(Br)cccc12 ZINC000877188871 662872095 /nfs/dbraw/zinc/87/20/95/662872095.db2.gz GHYILQTWSMQDOC-UHFFFAOYSA-N 1 0 376.254 2.799 20 0 GFADRO C[C@]([NH3+])(C(=O)N[C@@H](C1CCC1)[C@@H]1CCOC1)c1ccc(Br)cc1 ZINC000877231819 662872337 /nfs/dbraw/zinc/87/23/37/662872337.db2.gz UOBDBTQJBIAFOL-RPVQJOFSSA-N 1 0 381.314 2.944 20 0 GFADRO O=C(c1cnn(-c2cccc(Br)c2)c1)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000877280181 662873089 /nfs/dbraw/zinc/87/30/89/662873089.db2.gz UHYROOSQAFUKIU-JKSUJKDBSA-N 1 0 375.270 2.601 20 0 GFADRO CC(C)(C)n1cc(Br)c(C(=O)N2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)n1 ZINC000877354480 662874121 /nfs/dbraw/zinc/87/41/21/662874121.db2.gz BEEUGGHRTIHPTA-IUCAKERBSA-N 1 0 397.239 2.610 20 0 GFADRO Cc1cc(Br)ccc1CC(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000877358537 662874424 /nfs/dbraw/zinc/87/44/24/662874424.db2.gz PIQMCVYDNJQXQM-WCQYABFASA-N 1 0 379.220 2.896 20 0 GFADRO COc1cc(Br)ccc1C(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000877367020 662874763 /nfs/dbraw/zinc/87/47/63/662874763.db2.gz YQRYZNVCFQGRJT-KCJUWKMLSA-N 1 0 381.192 2.667 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)CSc2nc3ccccc3s2)C[C@@H]1C(F)(F)F ZINC000877368486 662874903 /nfs/dbraw/zinc/87/49/03/662874903.db2.gz UJOJTJWCBAWNNT-ZJUUUORDSA-N 1 0 375.441 2.984 20 0 GFADRO Cc1csc(C(=O)N[C@]23CCC[C@H]2[NH2+]CC3)c1I ZINC000877389929 662875320 /nfs/dbraw/zinc/87/53/20/662875320.db2.gz PUYJSPLTPDADLU-RNCFNFMXSA-N 1 0 376.263 2.676 20 0 GFADRO O=C(N[C@@]12CCC[C@@H]1[NH2+]CC2)c1ccc(I)cc1Cl ZINC000877395277 662875361 /nfs/dbraw/zinc/87/53/61/662875361.db2.gz ZUMXVFHVRSUEFB-GXTWGEPZSA-N 1 0 390.652 2.959 20 0 GFADRO O=C(N[C@]12CCC[C@H]1[NH2+]CC2)C1CCN(C(=O)c2ccc(Cl)s2)CC1 ZINC000877392812 662875412 /nfs/dbraw/zinc/87/54/12/662875412.db2.gz NWSPPPZTVHUEPE-KDOFPFPSSA-N 1 0 381.929 2.655 20 0 GFADRO CCOc1c(Br)cc(C(=O)N[C@]23CCC[C@@H]2[NH2+]CC3)cc1OC ZINC000877396808 662875508 /nfs/dbraw/zinc/87/55/08/662875508.db2.gz AEYYBAUVDFGTKC-YOEHRIQHSA-N 1 0 383.286 2.871 20 0 GFADRO CN(C)c1noc(CN[C@@H]2CCN(C)[C@@H](c3ccc(Br)cc3)C2)n1 ZINC000877411380 662875647 /nfs/dbraw/zinc/87/56/47/662875647.db2.gz NGFDBIAYMXSYFP-HUUCEWRRSA-N 1 0 394.317 2.823 20 0 GFADRO CS(=O)(=O)c1cc(C(=O)N2CC[C@@H](C[NH3+])c3ccccc32)ccc1Cl ZINC000877429004 662875912 /nfs/dbraw/zinc/87/59/12/662875912.db2.gz RAWWCGATPWTPHX-ZDUSSCGKSA-N 1 0 378.881 2.836 20 0 GFADRO CN(CCCCCC[NH3+])C(=O)CN(C)C(=O)c1ccc(Br)s1 ZINC000877440499 662876048 /nfs/dbraw/zinc/87/60/48/662876048.db2.gz AOYBCNYNTMVPBG-UHFFFAOYSA-N 1 0 390.347 2.560 20 0 GFADRO COC(=O)c1ccc(C[N@H+](C)CCCNC(=O)C2CCC2)cc1Br ZINC000877479119 662876778 /nfs/dbraw/zinc/87/67/78/662876778.db2.gz TXCFANPQQJUUPR-UHFFFAOYSA-N 1 0 397.313 2.974 20 0 GFADRO CC(C)(C)OC(=O)NC/C=C\C[NH2+]Cc1cnn2cc(Br)cnc12 ZINC000877490578 662877032 /nfs/dbraw/zinc/87/70/32/662877032.db2.gz ZLNOUFXUWHHXKN-PLNGDYQASA-N 1 0 396.289 2.662 20 0 GFADRO Cc1ccc(CN2CC[NH+]([C@H]3CCNC(=O)CC3)CC2)c(C)c1Br ZINC000877573078 662879164 /nfs/dbraw/zinc/87/91/64/662879164.db2.gz LEJRVEDZIXJOKL-QGZVFWFLSA-N 1 0 394.357 2.852 20 0 GFADRO CCO[P@](C)(=O)CC[C@H](C)[NH2+]Cc1nn(C)cc1I ZINC000877573882 662879176 /nfs/dbraw/zinc/87/91/76/662879176.db2.gz WPMUBEZAAKYVNN-OVWNDWIMSA-N 1 0 399.213 2.837 20 0 GFADRO Cn1ncc(Br)c1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000877984035 662887543 /nfs/dbraw/zinc/88/75/43/662887543.db2.gz WUXNPPBIKQKUSW-UHFFFAOYSA-N 1 0 391.313 2.637 20 0 GFADRO O=C(Nc1nc(C(F)(F)F)cs1)N1CCC([NH2+]C2CCOCC2)CC1 ZINC000878039577 662888797 /nfs/dbraw/zinc/88/87/97/662888797.db2.gz YPQOUKXLDANJFY-UHFFFAOYSA-N 1 0 378.420 2.927 20 0 GFADRO CO[C@H]1C[C@@H](C[N@@H+]2CCC[C@@H](C(=O)Nc3ccc(Br)cn3)C2)C1 ZINC000878214159 662891793 /nfs/dbraw/zinc/89/17/93/662891793.db2.gz PXNHPBCLYGSIOE-NFAWXSAZSA-N 1 0 382.302 2.920 20 0 GFADRO CN1CC[NH+](C2CCN(C(=O)Nc3ccc(F)cc3Br)CC2)CC1 ZINC000878277224 662892891 /nfs/dbraw/zinc/89/28/91/662892891.db2.gz LMCICYGNKAVSMW-UHFFFAOYSA-N 1 0 399.308 2.832 20 0 GFADRO CC[N@@H+]1CC[C@@H]1CNC(=O)Nc1cc(Br)ccc1N1CCOCC1 ZINC000878339578 662894190 /nfs/dbraw/zinc/89/41/90/662894190.db2.gz DASHJWDEZAHTJL-CQSZACIVSA-N 1 0 397.317 2.501 20 0 GFADRO C[C@H]([NH2+]C[C@@H](O)c1cc(Br)no1)c1cccc(N2CCCC2=O)c1 ZINC000878357118 662894477 /nfs/dbraw/zinc/89/44/77/662894477.db2.gz CCKHOSNXRKVUHX-SMDDNHRTSA-N 1 0 394.269 2.948 20 0 GFADRO OC[C@@H]([NH2+]C[C@@H](O)CC1(O)CCCCC1)c1ccc(Br)c(F)c1 ZINC000878645046 662901517 /nfs/dbraw/zinc/90/15/17/662901517.db2.gz GPSUGYPRYXXYBK-XJKSGUPXSA-N 1 0 390.293 2.657 20 0 GFADRO CN(CCC[N@H+](C)C[C@@H](O)c1cc(Br)no1)C(=O)OC(C)(C)C ZINC000878712410 662903475 /nfs/dbraw/zinc/90/34/75/662903475.db2.gz ZOUFFRVOWKUUHF-LLVKDONJSA-N 1 0 392.294 2.659 20 0 GFADRO O[C@@H](CN1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1)c1cc(Br)no1 ZINC000878726738 662903816 /nfs/dbraw/zinc/90/38/16/662903816.db2.gz HDFALMFQFBOPMO-XHSDSOJGSA-N 1 0 392.297 2.677 20 0 GFADRO COCCN(CC1CC[NH+](C)CC1)C(=O)Nc1cnc(Br)cc1C ZINC000878902185 662909027 /nfs/dbraw/zinc/90/90/27/662909027.db2.gz LMBMLGLUZNXKBI-UHFFFAOYSA-N 1 0 399.333 2.975 20 0 GFADRO Cc1cc(Br)ncc1NC(=O)N1CCC([NH2+]C2CCOCC2)CC1 ZINC000878901993 662909054 /nfs/dbraw/zinc/90/90/54/662909054.db2.gz INYKULCMYXYVEY-UHFFFAOYSA-N 1 0 397.317 2.917 20 0 GFADRO C[NH+]1CCC2(CCN(C(=O)Nc3nnc(CC(F)(F)F)s3)CC2)CC1 ZINC000878961903 662911411 /nfs/dbraw/zinc/91/14/11/662911411.db2.gz BELMPBLVAZYALO-UHFFFAOYSA-N 1 0 377.436 2.983 20 0 GFADRO CN(C[C@H](O)C[N@H+](C)Cc1cccc(Br)n1)C(=O)OC(C)(C)C ZINC000879081146 662915770 /nfs/dbraw/zinc/91/57/70/662915770.db2.gz UIXFMIVVXUYLAP-CYBMUJFWSA-N 1 0 388.306 2.504 20 0 GFADRO C[C@@H]1CN(C(=O)Nc2cc(Br)ccn2)CCN1c1cc[nH+]cc1 ZINC000879377433 662924876 /nfs/dbraw/zinc/92/48/76/662924876.db2.gz QQYGOZXNJKYSHJ-GFCCVEGCSA-N 1 0 376.258 2.982 20 0 GFADRO C[NH+]1CCC(n2ccc(NC(=O)NCc3ncc(Br)s3)n2)CC1 ZINC000879407576 662925552 /nfs/dbraw/zinc/92/55/52/662925552.db2.gz MLRAOHKDZKZGMM-UHFFFAOYSA-N 1 0 399.318 2.691 20 0 GFADRO CCc1cc2c(CC(=O)N[C@@H](Cn3ccnc3)C(=O)OC)csc2s1 ZINC000879549347 662929037 /nfs/dbraw/zinc/92/90/37/662929037.db2.gz QSSWAUVVHVPURK-AWEZNQCLSA-N 1 0 377.491 2.622 20 0 GFADRO Cc1cnc(Br)c(NC(=O)N2CCC([NH2+]C3CCOCC3)CC2)c1 ZINC000879619456 662930449 /nfs/dbraw/zinc/93/04/49/662930449.db2.gz ULXMGBDXGDGAGG-UHFFFAOYSA-N 1 0 397.317 2.917 20 0 GFADRO Cc1ccc(F)c(Br)c1NC(=O)N[C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC000879705459 662937455 /nfs/dbraw/zinc/93/74/55/662937455.db2.gz CMEFYCBTSCZDRA-NSHDSACASA-N 1 0 388.281 2.863 20 0 GFADRO Brc1ccc2nc(CN3CCC[C@@H]([NH2+]C4CCOCC4)C3)cn2c1 ZINC000880211018 662954752 /nfs/dbraw/zinc/95/47/52/662954752.db2.gz ZGAHVCIVRHMKML-MRXNPFEDSA-N 1 0 393.329 2.830 20 0 GFADRO COc1cc(C(=O)N2CCCN(c3cc[nH+]cc3)CC2)cnc1Br ZINC000880385474 662958929 /nfs/dbraw/zinc/95/89/29/662958929.db2.gz ZUBMESWCLSNFMT-UHFFFAOYSA-N 1 0 391.269 2.600 20 0 GFADRO CCn1cc(Br)cc1C(=O)N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000881472660 662995378 /nfs/dbraw/zinc/99/53/78/662995378.db2.gz RYIAQCLIYKEXJK-OAHLLOKOSA-N 1 0 384.318 2.644 20 0 GFADRO O=C(CSC(F)(F)F)NCCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000882378488 663026280 /nfs/dbraw/zinc/02/62/80/663026280.db2.gz AIEZLWPIYFXESN-UHFFFAOYSA-N 1 0 376.444 2.773 20 0 GFADRO CCS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC(C)([NH+]3CCC3)CC2)c1 ZINC000882504873 663029462 /nfs/dbraw/zinc/02/94/62/663029462.db2.gz DZMQCCCXJSHDEG-UHFFFAOYSA-N 1 0 384.929 2.834 20 0 GFADRO CN(C)c1ncc(Br)cc1C(=O)N1CCC(C)([NH+]2CCC2)CC1 ZINC000882506151 663029515 /nfs/dbraw/zinc/02/95/15/663029515.db2.gz RVSZDEZWCFAUSF-UHFFFAOYSA-N 1 0 381.318 2.611 20 0 GFADRO CC1([NH+]2CCC2)CCN(C(=O)c2cc(Br)cn3ccnc23)CC1 ZINC000882510406 663029564 /nfs/dbraw/zinc/02/95/64/663029564.db2.gz LKEXYUBYNDGIEW-UHFFFAOYSA-N 1 0 377.286 2.797 20 0 GFADRO COC[C@H]([NH2+]CCCS(=O)(=O)c1ccc(Cl)cc1)[C@@H]1CCCOC1 ZINC000883224304 663051561 /nfs/dbraw/zinc/05/15/61/663051561.db2.gz JLIRKFIXOIVGBP-PBHICJAKSA-N 1 0 375.918 2.535 20 0 GFADRO COC[C@H]([NH2+]CCc1cn2cc(Br)cc(C)c2n1)[C@@H]1CCCOC1 ZINC000883216078 663051571 /nfs/dbraw/zinc/05/15/71/663051571.db2.gz KVYFKJUORIBUGM-PBHICJAKSA-N 1 0 396.329 2.979 20 0 GFADRO O=C(NCc1ccccc1Br)N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000883232749 663051743 /nfs/dbraw/zinc/05/17/43/663051743.db2.gz QZLRSLFYOHTFAC-INIZCTEOSA-N 1 0 396.329 2.892 20 0 GFADRO C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]CC[C@@H]1CCCS1(=O)=O ZINC000883306486 663053241 /nfs/dbraw/zinc/05/32/41/663053241.db2.gz WZMJHJIJFJVKAA-PBHICJAKSA-N 1 0 386.945 2.634 20 0 GFADRO [NH3+]CCN(Cc1nc(-c2ccc(Br)s2)no1)CC(F)(F)F ZINC000883445168 663055282 /nfs/dbraw/zinc/05/52/82/663055282.db2.gz KSYZOFNTWHUWMZ-UHFFFAOYSA-N 1 0 385.209 2.884 20 0 GFADRO Cc1cc(Br)c(Cl)cc1S(=O)(=O)N1CCC(C)([NH3+])CC1 ZINC000883466613 663055492 /nfs/dbraw/zinc/05/54/92/663055492.db2.gz RDCJXWATDSPLSC-UHFFFAOYSA-N 1 0 381.723 2.913 20 0 GFADRO CCCc1ccc(Cl)c(S(=O)(=O)N2CCc3sc(C[NH3+])nc3C2)c1 ZINC000883480600 663055932 /nfs/dbraw/zinc/05/59/32/663055932.db2.gz HNNJQIOCFVDMLD-UHFFFAOYSA-N 1 0 385.942 2.955 20 0 GFADRO Cc1cc(C[NH3+])cc(NC(=O)C(=O)NCCc2sccc2Br)c1 ZINC000883630483 663058472 /nfs/dbraw/zinc/05/84/72/663058472.db2.gz VOXWKPAROQVNMC-UHFFFAOYSA-N 1 0 396.310 2.575 20 0 GFADRO CC(C)(C)CC(=O)N1CCN(C(=O)[C@H]([NH3+])c2ccc(Br)cc2)CC1 ZINC000884075261 663064479 /nfs/dbraw/zinc/06/44/79/663064479.db2.gz RUUZIAVSSGQXKV-MRXNPFEDSA-N 1 0 396.329 2.556 20 0 GFADRO CC1(C)C[NH2+]C[C@H]1C(=O)NC1(c2cccc(Br)c2)CCOCC1 ZINC000884101855 663065195 /nfs/dbraw/zinc/06/51/95/663065195.db2.gz KDIYWCLDVXQBJX-HNNXBMFYSA-N 1 0 381.314 2.817 20 0 GFADRO C[NH2+][C@@H](CC(C)C)C(=O)Nc1cc(OC)ccc1I ZINC000884109139 663065421 /nfs/dbraw/zinc/06/54/21/663065421.db2.gz XEBSSJUEXMVIQJ-ZDUSSCGKSA-N 1 0 376.238 2.872 20 0 GFADRO Cc1csc(C[C@H]2CCCN(C(=O)NC[C@]3([NH+](C)C)CCSC3)C2)n1 ZINC000884196949 663066888 /nfs/dbraw/zinc/06/68/88/663066888.db2.gz GPCUXMMLGRQCKJ-CRAIPNDOSA-N 1 0 382.599 2.853 20 0 GFADRO CC1(C)C[NH2+]C[C@@H]1C(=O)NC[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000884200556 663066948 /nfs/dbraw/zinc/06/69/48/663066948.db2.gz FJPPPCFLIXXESQ-XJKSGUPXSA-N 1 0 380.330 2.637 20 0 GFADRO C[C@@H](C[NH3+])CNC(=O)CCc1cc(Br)c(Br)s1 ZINC000884237654 663067434 /nfs/dbraw/zinc/06/74/34/663067434.db2.gz IPXNOIFREXTBIO-ZETCQYMHSA-N 1 0 384.137 2.917 20 0 GFADRO CC1(C)[C@H]([NH3+])C[C@H]1NC(=O)CCC[S@@](=O)c1ccc(Br)cc1 ZINC000884355965 663069593 /nfs/dbraw/zinc/06/95/93/663069593.db2.gz VEUVVWYEITZDCX-XDEPDNQISA-N 1 0 387.343 2.579 20 0 GFADRO C[C@]12CCN(C(=O)[C@@H]3C[NH2+]CC3(C)C)C[C@H]1C2(Br)Br ZINC000884399632 663070226 /nfs/dbraw/zinc/07/02/26/663070226.db2.gz JSDKNBSHTDKZEO-CWSCBRNRSA-N 1 0 394.151 2.587 20 0 GFADRO [NH3+][C@H](C(=O)N1CCO[C@@H](CC(F)(F)F)C1)c1ccc(Br)cc1 ZINC000884419405 663070515 /nfs/dbraw/zinc/07/05/15/663070515.db2.gz PSXOCOVCSDHYEX-RYUDHWBXSA-N 1 0 381.192 2.629 20 0 GFADRO [NH3+]C[C@H]1CC[C@H](NC(=O)C(=O)N[C@@H]2CCSc3ccc(Cl)cc32)CC1 ZINC000884523391 663072063 /nfs/dbraw/zinc/07/20/63/663072063.db2.gz WDKNNIVKQSVEOI-UXIGCNINSA-N 1 0 381.929 2.627 20 0 GFADRO O=S(=O)(Cc1ccc(Br)c(F)c1)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000884957608 663079563 /nfs/dbraw/zinc/07/95/63/663079563.db2.gz TYGYITQUZLBLLM-QWHCGFSZSA-N 1 0 391.306 2.634 20 0 GFADRO O=S(=O)(Cc1cc(F)ccc1Br)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000884960441 663079779 /nfs/dbraw/zinc/07/97/79/663079779.db2.gz VNCARTDHQMYOPU-ZIAGYGMSSA-N 1 0 391.306 2.634 20 0 GFADRO O=S(=O)(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cnc(Cl)cc1C(F)(F)F ZINC000884959633 663079830 /nfs/dbraw/zinc/07/98/30/663079830.db2.gz MXHDDRYJWVNNAY-NXEZZACHSA-N 1 0 383.823 2.659 20 0 GFADRO C[NH+]1CCC(CC(=O)N2CCC[C@](O)(c3ccc(Br)cc3)C2)CC1 ZINC000884967647 663080416 /nfs/dbraw/zinc/08/04/16/663080416.db2.gz GPAINRVJNRMTED-LJQANCHMSA-N 1 0 395.341 2.991 20 0 GFADRO Cc1cc(Br)ccc1CS(=O)(=O)N(C)[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000885031577 663083349 /nfs/dbraw/zinc/08/33/49/663083349.db2.gz MFFJNZNCQNZPSO-BBRMVZONSA-N 1 0 389.359 2.859 20 0 GFADRO C[C@H]1CN(c2cc[nH+]cc2)CCN1S(=O)(=O)C[C@]1(C)CC1(Cl)Cl ZINC000885847847 663099155 /nfs/dbraw/zinc/09/91/55/663099155.db2.gz LPSBKHNICJITRZ-JSGCOSHPSA-N 1 0 378.325 2.506 20 0 GFADRO C[C@H]1CCNC(=O)[C@H]1[NH2+]Cc1cc(Br)c(Br)s1 ZINC000886105395 663103289 /nfs/dbraw/zinc/10/32/89/663103289.db2.gz YYCWQRGJWJWKTG-RCOVLWMOSA-N 1 0 382.121 2.887 20 0 GFADRO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+][C@@H]2CCOC3(CCOCC3)C2)c1 ZINC000886144708 663103886 /nfs/dbraw/zinc/10/38/86/663103886.db2.gz FGFRNADMNMRPJB-MRXNPFEDSA-N 1 0 387.929 2.951 20 0 GFADRO OC[C@@H](C[C@H]1CCCO1)[NH2+]C1CCN(Cc2ccccc2Br)CC1 ZINC000886226960 663105355 /nfs/dbraw/zinc/10/53/55/663105355.db2.gz UKTURYODUUULCJ-QZTJIDSGSA-N 1 0 397.357 2.933 20 0 GFADRO COC[C@@H]([NH2+]Cc1ccc(I)cc1)[C@@H]1CCCOC1 ZINC000886357613 663108792 /nfs/dbraw/zinc/10/87/92/663108792.db2.gz JJJULDDEIRPJHQ-UKRRQHHQSA-N 1 0 375.250 2.822 20 0 GFADRO COC[C@H]([NH2+]Cc1cccc(I)c1)[C@@H]1CCCOC1 ZINC000886357180 663108850 /nfs/dbraw/zinc/10/88/50/663108850.db2.gz CFQJESVYWLXSJV-HIFRSBDPSA-N 1 0 375.250 2.822 20 0 GFADRO COC[C@H]([NH2+]Cc1cnc2c(C)cc(Br)cn12)[C@@H]1CCCOC1 ZINC000886357938 663108934 /nfs/dbraw/zinc/10/89/34/663108934.db2.gz NGRYWAZNROMPSE-CJNGLKHVSA-N 1 0 382.302 2.936 20 0 GFADRO COC(=O)[C@@H]1CC[C@@H]([NH2+]Cc2nnc3c(Cl)cc(C(F)(F)F)cn23)C1 ZINC000886499043 663113013 /nfs/dbraw/zinc/11/30/13/663113013.db2.gz YNUTWJGOFJRVRF-PSASIEDQSA-N 1 0 376.766 2.833 20 0 GFADRO C[C@@H]([NH2+]Cc1nnc2c(=O)[nH]ccn12)[C@@H](C)Oc1ccc(Cl)cc1Cl ZINC000886703609 663115946 /nfs/dbraw/zinc/11/59/46/663115946.db2.gz YZNKOMNPBRGEBN-NXEZZACHSA-N 1 0 382.251 2.670 20 0 GFADRO C[NH2+]CC1CCN(S(=O)(=O)Cc2ccc(Br)cc2C)CC1 ZINC000886884199 663123317 /nfs/dbraw/zinc/12/33/17/663123317.db2.gz YBAMTOSEHOTMTR-UHFFFAOYSA-N 1 0 375.332 2.519 20 0 GFADRO CC(C)CCOc1ccc(S(=O)(=O)NC[C@@H]2C[NH2+]CCC2(F)F)cc1 ZINC000886896275 663123969 /nfs/dbraw/zinc/12/39/69/663123969.db2.gz DMYBYYJDISNJCX-AWEZNQCLSA-N 1 0 376.469 2.635 20 0 GFADRO COC[C@@H]([NH2+]CC(=O)Nc1ccc(Br)c(C)c1)[C@H]1CCCOC1 ZINC000886907877 663124390 /nfs/dbraw/zinc/12/43/90/663124390.db2.gz KTCGQHWQNHSHAF-XJKSGUPXSA-N 1 0 385.302 2.727 20 0 GFADRO COC[C@@H]([NH2+]CC(=O)Nc1ccc(Br)c(C)c1)[C@@H]1CCCOC1 ZINC000886907876 663124509 /nfs/dbraw/zinc/12/45/09/663124509.db2.gz KTCGQHWQNHSHAF-CZUORRHYSA-N 1 0 385.302 2.727 20 0 GFADRO CS(=O)(=O)c1cc(NC(=O)N2CCCC[C@]3(CC[NH2+]C3)C2)ccc1Cl ZINC000886949078 663126020 /nfs/dbraw/zinc/12/60/20/663126020.db2.gz YIYILXGREIQBPQ-QGZVFWFLSA-N 1 0 385.917 2.741 20 0 GFADRO Cc1c(Cl)cc(NC(=O)C(=O)NC[C@H]2C[NH2+]CCC2(F)F)cc1Cl ZINC000887033600 663129606 /nfs/dbraw/zinc/12/96/06/663129606.db2.gz XYXLSVWXBQYSMU-SECBINFHSA-N 1 0 380.222 2.601 20 0 GFADRO O=C(NC[C@@H]1C[NH2+]CCC1(F)F)C(=O)Nc1cc(C(F)F)ccc1Cl ZINC000887034057 663129636 /nfs/dbraw/zinc/12/96/36/663129636.db2.gz GQEMMBHIUVRPHO-VIFPVBQESA-N 1 0 381.757 2.577 20 0 GFADRO COc1ccc([C@H]2C[NH2+]CCN2C(=O)c2ncc(Br)s2)cc1 ZINC000887401902 663144261 /nfs/dbraw/zinc/14/42/61/663144261.db2.gz KQCXJJGWJTXKJC-GFCCVEGCSA-N 1 0 382.283 2.701 20 0 GFADRO C[C@H](c1ccc(F)c(Br)c1)n1cc(CN2CCC[C@@H]([NH3+])C2)nn1 ZINC000887419239 663145900 /nfs/dbraw/zinc/14/59/00/663145900.db2.gz HWVGBLRCEBJZDP-DGCLKSJQSA-N 1 0 382.281 2.712 20 0 GFADRO [NH3+][C@H]1CCCN(Cc2cn(Cc3ccc(Cl)c(Br)c3)nn2)C1 ZINC000887446510 663146773 /nfs/dbraw/zinc/14/67/73/663146773.db2.gz DAMFDNBJKLWROD-LBPRGKRZSA-N 1 0 384.709 2.665 20 0 GFADRO O=C(NCCCC[N@H+]1CCC[C@@H]1CO)Nc1nc2ccc(Cl)nc2s1 ZINC000888784773 663215277 /nfs/dbraw/zinc/21/52/77/663215277.db2.gz GMIRRQRYMDICKQ-LLVKDONJSA-N 1 0 383.905 2.703 20 0 GFADRO O=C(NCCCCC[NH+]1CCCCC1)c1nn2c(c1Br)CCC2 ZINC000888916543 663225470 /nfs/dbraw/zinc/22/54/70/663225470.db2.gz CPYFWFIPURALHY-UHFFFAOYSA-N 1 0 383.334 2.978 20 0 GFADRO Cc1ccc(NC(=O)Cc2c(Br)cnn2C)c(OCC[NH+](C)C)c1 ZINC000889089637 663231742 /nfs/dbraw/zinc/23/17/42/663231742.db2.gz JRGIAVBNGCFMNL-UHFFFAOYSA-N 1 0 395.301 2.613 20 0 GFADRO Cc1cc(I)cc(C(=O)N2CCC23CC[NH+](C)CC3)c1 ZINC000889217837 663237701 /nfs/dbraw/zinc/23/77/01/663237701.db2.gz IYUHAXRENZPTBL-UHFFFAOYSA-N 1 0 384.261 2.910 20 0 GFADRO Cn1cc(C(=O)NC(C)(C)C[N@H+](C)Cc2ccccc2)c(Br)n1 ZINC000889692961 663256326 /nfs/dbraw/zinc/25/63/26/663256326.db2.gz JMSHXPXWFFPTPG-UHFFFAOYSA-N 1 0 379.302 2.823 20 0 GFADRO Cc1c(Br)ccc(F)c1C(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000889738640 663261647 /nfs/dbraw/zinc/26/16/47/663261647.db2.gz ABSZOKRCMZCTAA-CABCVRRESA-N 1 0 385.277 2.568 20 0 GFADRO O=C(Nc1cccc(F)c1Br)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000889845267 663271546 /nfs/dbraw/zinc/27/15/46/663271546.db2.gz MZZJGISWYISZDY-UHFFFAOYSA-N 1 0 398.276 2.517 20 0 GFADRO C[C@@](CO)(NC(=O)C1CC[NH+](C2CC2)CC1)c1cccc(Br)c1 ZINC000890630818 663308567 /nfs/dbraw/zinc/30/85/67/663308567.db2.gz ULYDPQNVXKBQKA-SFHVURJKSA-N 1 0 381.314 2.647 20 0 GFADRO CN(CC(C)(C)C[NH+](C)C)C(=O)c1ccc(Br)cc1-n1cncn1 ZINC000890881626 663315834 /nfs/dbraw/zinc/31/58/34/663315834.db2.gz BUGVSIMVZGHPHI-UHFFFAOYSA-N 1 0 394.317 2.690 20 0 GFADRO COCCC1(NC(=O)NCc2ccc(F)cc2Br)CC[NH2+]CC1 ZINC000891413303 663338870 /nfs/dbraw/zinc/33/88/70/663338870.db2.gz XSWNDRNHAKIAIW-UHFFFAOYSA-N 1 0 388.281 2.546 20 0 GFADRO CCC1([NH3+])CCN(C(=O)NCc2cc(Br)c3c(c2)OCCO3)CC1 ZINC000891446933 663339799 /nfs/dbraw/zinc/33/97/99/663339799.db2.gz SHIZWQRCXXBYPW-UHFFFAOYSA-N 1 0 398.301 2.633 20 0 GFADRO C[C@@H]1C[C@H]([NH3+])CN1C(=O)NCC1(c2ccc(Br)cc2)CCOCC1 ZINC000891478032 663340628 /nfs/dbraw/zinc/34/06/28/663340628.db2.gz HHBLPVYIMDYZTI-CJNGLKHVSA-N 1 0 396.329 2.628 20 0 GFADRO COc1cc(Br)c(CNC(=O)N2CCC[C@@H]3[NH2+]CC[C@H]32)cc1OC ZINC000891494050 663341263 /nfs/dbraw/zinc/34/12/63/663341263.db2.gz FWOZLBIWHFNJEP-UONOGXRCSA-N 1 0 398.301 2.502 20 0 GFADRO [NH3+][C@H]1C[C@H](CNC(=O)NC2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)C1 ZINC000891535035 663342787 /nfs/dbraw/zinc/34/27/87/663342787.db2.gz RZXZUYQONLYCGX-HDJSIYSDSA-N 1 0 385.339 2.994 20 0 GFADRO O=C(NCCCc1cccc(Br)c1)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000891535971 663343040 /nfs/dbraw/zinc/34/30/40/663343040.db2.gz YVJCKQRCEKBUKE-ZDUSSCGKSA-N 1 0 390.272 2.926 20 0 GFADRO Nc1cc[nH+]c(CNC(=O)N[C@@H]2CCN(c3ccccc3Br)C2)c1 ZINC000891542550 663343355 /nfs/dbraw/zinc/34/33/55/663343355.db2.gz VPYXDPOSBRIWQP-CYBMUJFWSA-N 1 0 390.285 2.504 20 0 GFADRO CCn1c(Br)c(Br)nc1CN1CCC([NH+](C)C)CC1 ZINC000891666107 663346814 /nfs/dbraw/zinc/34/68/14/663346814.db2.gz MDEVRNSOTSVKJS-UHFFFAOYSA-N 1 0 394.155 2.954 20 0 GFADRO C[C@@H](Cc1cc(Br)ccc1F)NC(=O)NCc1cc(N)cc[nH+]1 ZINC000891715053 663348453 /nfs/dbraw/zinc/34/84/53/663348453.db2.gz MPCCMRYBDUUKNX-JTQLQIEISA-N 1 0 381.249 2.996 20 0 GFADRO CC1(C)C[NH2+]CC[C@@H](NC(=O)NCCCCn2cc(Br)cn2)C1 ZINC000891866080 663353353 /nfs/dbraw/zinc/35/33/53/663353353.db2.gz ZSHVEMZOGTXARF-CQSZACIVSA-N 1 0 386.338 2.503 20 0 GFADRO COC[C@@H](NC(=O)N1CCc2sc(C[NH3+])nc2C1)c1cccc(Cl)c1 ZINC000891902691 663354930 /nfs/dbraw/zinc/35/49/30/663354930.db2.gz WDYOTKXAZDEFLX-CQSZACIVSA-N 1 0 380.901 2.711 20 0 GFADRO CN(C[C@@H](O)COc1cc(Cl)cc(Cl)c1)C(=O)NC1CCC([NH3+])CC1 ZINC000892022537 663359322 /nfs/dbraw/zinc/35/93/22/663359322.db2.gz RBNIFMXRJUJHDL-YMAMQOFZSA-N 1 0 390.311 2.644 20 0 GFADRO [NH3+]C[C@@H](NC(=O)N1CC2(CCOCC2)c2ccc(Br)cc21)C1CC1 ZINC000892024089 663359464 /nfs/dbraw/zinc/35/94/64/663359464.db2.gz NPNXVANWKDSHPG-OAHLLOKOSA-N 1 0 394.313 2.764 20 0 GFADRO CC(=O)Nc1cc(Br)ccc1CN1CC[NH+](CCOC(C)C)CC1 ZINC000892093116 663361322 /nfs/dbraw/zinc/36/13/22/663361322.db2.gz KASMNYLSBJCISD-UHFFFAOYSA-N 1 0 398.345 2.950 20 0 GFADRO CC(=O)Nc1cc(Br)ccc1CN1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000892158634 663364063 /nfs/dbraw/zinc/36/40/63/663364063.db2.gz DFBWSXQIMBZKDH-OAHLLOKOSA-N 1 0 396.329 2.562 20 0 GFADRO COC[C@H](NC(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1cccc(Br)c1 ZINC000892187080 663365008 /nfs/dbraw/zinc/36/50/08/663365008.db2.gz IHTXTJFDZJIANM-SRABZTEZSA-N 1 0 396.329 2.824 20 0 GFADRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)NCc2ncc(Br)cn2)C1 ZINC000892259796 663367571 /nfs/dbraw/zinc/36/75/71/663367571.db2.gz CXJYGYJSLXQNME-CHWSQXEVSA-N 1 0 398.349 2.795 20 0 GFADRO COc1ncc(Br)cc1CNC(=O)N1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000892283005 663368095 /nfs/dbraw/zinc/36/80/95/663368095.db2.gz VNBBEOLYOOEPGW-QGZVFWFLSA-N 1 0 397.317 2.528 20 0 GFADRO [NH3+][C@H](CCNC(=O)N1CCSC[C@H]1c1nccs1)Cc1ccccc1 ZINC000892406451 663372349 /nfs/dbraw/zinc/37/23/49/663372349.db2.gz ZNOVJIAPBQEPGF-CVEARBPZSA-N 1 0 376.551 2.903 20 0 GFADRO CC1(C)C[NH2+]CC[C@H](NC(=O)N[C@@H](CO)c2ccc(Br)cc2)C1 ZINC000892483227 663375074 /nfs/dbraw/zinc/37/50/74/663375074.db2.gz LEVZCDUBHHZBKP-GJZGRUSLSA-N 1 0 384.318 2.560 20 0 GFADRO CCN(CCC[NH2+]Cc1nc(-c2cccc(OC)c2)cs1)S(C)(=O)=O ZINC000892648970 663379674 /nfs/dbraw/zinc/37/96/74/663379674.db2.gz MIVXABMPQJZVRL-UHFFFAOYSA-N 1 0 383.539 2.580 20 0 GFADRO C[C@@H](CNC(=O)NCC1([NH+](C)C)CCOCC1)c1ccc(Br)cc1 ZINC000892973216 663391489 /nfs/dbraw/zinc/39/14/89/663391489.db2.gz OKVYMXYMKFVWPE-AWEZNQCLSA-N 1 0 398.345 2.963 20 0 GFADRO C[C@H]1CCC[C@H](CC[NH+](C)C)N1C(=O)c1cc2ncc(Br)cn2n1 ZINC000893008374 663392952 /nfs/dbraw/zinc/39/29/52/663392952.db2.gz PNIHRYSWVJUMEJ-GXTWGEPZSA-N 1 0 394.317 2.827 20 0 GFADRO C[C@H]1CCC[C@H](CC[NH+](C)C)N1C(=O)Cc1cc[nH]c(=O)c1Br ZINC000893015408 663393138 /nfs/dbraw/zinc/39/31/38/663393138.db2.gz RHQRGRKVKHMOAR-GXTWGEPZSA-N 1 0 384.318 2.814 20 0 GFADRO CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@]2(N(C)C)CCSC2)C[C@@H]1C(F)(F)F ZINC000893099460 663396548 /nfs/dbraw/zinc/39/65/48/663396548.db2.gz YZURSBSMDJDREJ-KNCOVGOOSA-N 1 0 382.492 2.924 20 0 GFADRO CCn1cc(C[NH2+]C2CCN(Cc3ccc(Br)cc3)CC2)nn1 ZINC000893117700 663397179 /nfs/dbraw/zinc/39/71/79/663397179.db2.gz YTBGVISQDAUILN-UHFFFAOYSA-N 1 0 378.318 2.815 20 0 GFADRO Oc1cc(Br)cnc1C[NH2+][C@H]1CCN(c2ncccc2Cl)C1 ZINC000893139738 663398291 /nfs/dbraw/zinc/39/82/91/663398291.db2.gz OGJXXCYZUOJJNU-NSHDSACASA-N 1 0 383.677 2.967 20 0 GFADRO CS(=O)(=O)N1CC(C[NH2+][C@@H]2CCCC[C@H]2c2cc(F)c(F)c(F)c2)C1 ZINC000893717469 663422202 /nfs/dbraw/zinc/42/22/02/663422202.db2.gz RCDUDNYKCFQNRI-XJKSGUPXSA-N 1 0 376.444 2.611 20 0 GFADRO Cn1cc(CNc2ccc(CC[NH+](C)C)cc2)c(I)n1 ZINC000894122228 663443876 /nfs/dbraw/zinc/44/38/76/663443876.db2.gz FTMXMMIUCQSQSS-UHFFFAOYSA-N 1 0 384.265 2.741 20 0 GFADRO COC(=O)[C@@H]1CCCC[C@@]1(C)[NH2+]Cc1sc(N2CCOCC2)nc1Cl ZINC000894140720 663445271 /nfs/dbraw/zinc/44/52/71/663445271.db2.gz OLSLHBGRCBYODR-YVEFUNNKSA-N 1 0 387.933 2.845 20 0 GFADRO CO[C@H]1CC[C@H]1N(C)C(=O)NCCc1cn2cc(Br)cc(C)c2n1 ZINC000894166094 663446380 /nfs/dbraw/zinc/44/63/80/663446380.db2.gz HMNDAZYGXVQMTA-CABCVRRESA-N 1 0 395.301 2.767 20 0 GFADRO C[C@@H](NCc1nc(Br)nn1C)c1ccc(NC(=O)C2CC2)cc1 ZINC000894164124 663446393 /nfs/dbraw/zinc/44/63/93/663446393.db2.gz CYLBUUALPBNESK-SNVBAGLBSA-N 1 0 378.274 2.777 20 0 GFADRO FC(F)(F)CN1CCC([NH2+]Cc2sc(N3CCOCC3)nc2Cl)CC1 ZINC000894212017 663448944 /nfs/dbraw/zinc/44/89/44/663448944.db2.gz WFEOTXPIQCGYSO-UHFFFAOYSA-N 1 0 398.882 2.749 20 0 GFADRO Cn1nc(Br)nc1C[NH2+][C@@H]1CCc2nc(-c3ccccc3)ncc2C1 ZINC000894226685 663449741 /nfs/dbraw/zinc/44/97/41/663449741.db2.gz OFBYERJECYBZAD-CQSZACIVSA-N 1 0 399.296 2.682 20 0 GFADRO Cc1ncc2c(n1)CCC[C@H]2NCc1sc(N2CCOCC2)nc1Cl ZINC000894256841 663451226 /nfs/dbraw/zinc/45/12/26/663451226.db2.gz GWUQFYKYQRRCMC-CYBMUJFWSA-N 1 0 379.917 2.899 20 0 GFADRO C[C@H](CCNS(=O)(=O)c1ccccc1)[NH2+]C[C@H]1C[C@@]1(C)Br ZINC000894278990 663452295 /nfs/dbraw/zinc/45/22/95/663452295.db2.gz KHEVPUJBNMCWSR-UMVBOHGHSA-N 1 0 375.332 2.507 20 0 GFADRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1nc(Br)nn1C ZINC000894317114 663453976 /nfs/dbraw/zinc/45/39/76/663453976.db2.gz QKWGTOVXWMKHNG-HIFRSBDPSA-N 1 0 378.318 2.578 20 0 GFADRO CC(C)[C@@H](C[NH2+]Cc1c(I)cnn1C)c1cccnc1 ZINC000894324662 663454680 /nfs/dbraw/zinc/45/46/80/663454680.db2.gz ALWFEIDBQQJJEL-CYBMUJFWSA-N 1 0 384.265 2.949 20 0 GFADRO CC(C)C[C@@H]1C[C@H]([NH2+]Cc2cn(C)nc2I)CCO1 ZINC000894376529 663459052 /nfs/dbraw/zinc/45/90/52/663459052.db2.gz SFXISBFRGIMNHB-CHWSQXEVSA-N 1 0 377.270 2.708 20 0 GFADRO COc1ccc(CN2CC[C@H]([NH2+]C[C@@H]3C[C@@]3(C)Br)C2=O)c(OC)c1 ZINC000894445430 663462131 /nfs/dbraw/zinc/46/21/31/663462131.db2.gz LQQLOPVENIULMF-DHSIGJKJSA-N 1 0 397.313 2.568 20 0 GFADRO CCn1c(Br)c(Br)nc1CN(C)CC[N@H+](C)C1CC1 ZINC000894477366 663464196 /nfs/dbraw/zinc/46/41/96/663464196.db2.gz PGPMWLDVDOGWGX-UHFFFAOYSA-N 1 0 394.155 2.954 20 0 GFADRO C[C@@]1(C[C@H]2CCC[N@@H+]2Cc2cc3ccnc(Cl)c3s2)NC(=O)NC1=O ZINC000894748724 663479352 /nfs/dbraw/zinc/47/93/52/663479352.db2.gz QQFMBHKTHSYSIJ-DIFFPNOSSA-N 1 0 378.885 2.902 20 0 GFADRO CCc1nnc(C[NH2+]C[C@@H](CO)Cc2ccc(F)c(Br)c2)s1 ZINC000894769893 663480599 /nfs/dbraw/zinc/48/05/99/663480599.db2.gz XPFRPOUZOYSFNM-NSHDSACASA-N 1 0 388.306 2.943 20 0 GFADRO CC(C)Oc1ccc([C@H](CNCc2nc(Br)nn2C)[NH+](C)C)cc1 ZINC000894781032 663481155 /nfs/dbraw/zinc/48/11/55/663481155.db2.gz MPZPBIAKMQWQQM-HNNXBMFYSA-N 1 0 396.333 2.757 20 0 GFADRO CC(C)(C)OC(=O)NCC1(O)CC[NH+](C[C@H]2C[C@@]2(C)Br)CC1 ZINC000894957236 663491665 /nfs/dbraw/zinc/49/16/65/663491665.db2.gz DWTZTNOHJNHAFF-IUODEOHRSA-N 1 0 377.323 2.512 20 0 GFADRO OCCCCC[NH+]1CCN(c2ncnc3cc(Br)sc32)CC1 ZINC000894965452 663492471 /nfs/dbraw/zinc/49/24/71/663492471.db2.gz GABFFQBLGYURMB-UHFFFAOYSA-N 1 0 385.331 2.738 20 0 GFADRO CCOC(=O)c1ncc(Br)c(N2CCC(CC)([NH+]3CCC3)CC2)n1 ZINC000895231183 663504114 /nfs/dbraw/zinc/50/41/14/663504114.db2.gz LFBUDUFJDDBLGD-UHFFFAOYSA-N 1 0 397.317 2.871 20 0 GFADRO Cc1c(Br)cncc1C(=O)N1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000895263405 663505935 /nfs/dbraw/zinc/50/59/35/663505935.db2.gz RZYLOPQFMCLGEW-LBPRGKRZSA-N 1 0 375.270 2.898 20 0 GFADRO C[C@H](c1ccccc1)[C@@H](O)C[NH2+]Cc1sc(N2CCOCC2)nc1Cl ZINC000895340405 663509248 /nfs/dbraw/zinc/50/92/48/663509248.db2.gz RCFXXQCMCITQFG-HIFRSBDPSA-N 1 0 381.929 2.887 20 0 GFADRO Cc1ccc(C(C)(C)C[NH2+]Cc2cn(C)nc2I)nc1 ZINC000895391504 663511431 /nfs/dbraw/zinc/51/14/31/663511431.db2.gz BGSYEHKGQBJJOA-UHFFFAOYSA-N 1 0 384.265 2.796 20 0 GFADRO CC[N@H+](C)Cc1cc(O[C@@H]2CCN(Cc3nc(Br)c[nH]3)C2)ccn1 ZINC000895501179 663517267 /nfs/dbraw/zinc/51/72/67/663517267.db2.gz TUIAYVIXQXDBTK-OAHLLOKOSA-N 1 0 394.317 2.672 20 0 GFADRO Cc1nc(-c2ccc(CCNC(=O)C3C[NH+]([C@H]4CCOC4)C3)s2)cs1 ZINC000895497322 663517303 /nfs/dbraw/zinc/51/73/03/663517303.db2.gz HNVULNMZWFHPMN-AWEZNQCLSA-N 1 0 377.535 2.559 20 0 GFADRO Cn1cc(C[NH2+]C(C)(C)[C@@H](O)c2ccccc2)c(I)n1 ZINC000895662489 663522385 /nfs/dbraw/zinc/52/23/85/663522385.db2.gz PGQGBTPKMNQMOS-ZDUSSCGKSA-N 1 0 385.249 2.627 20 0 GFADRO C[NH+](C)C[C@H](NC(=O)N1CC[C@H](O)[C@H](F)C1)c1ccc(Cl)c(Cl)c1 ZINC000896009565 663537290 /nfs/dbraw/zinc/53/72/90/663537290.db2.gz CDZZAVGTQDYNHN-ILXRZTDVSA-N 1 0 378.275 2.710 20 0 GFADRO CCCSC[C@@H](C)[NH2+]CC[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O ZINC000896202865 663544911 /nfs/dbraw/zinc/54/49/11/663544911.db2.gz MVZYNWBBZQMJEQ-CABCVRRESA-N 1 0 394.603 2.532 20 0 GFADRO C[NH+](C)C1(CNC(=O)CCCc2ccc(Br)cc2)CCOCC1 ZINC000896354703 663552454 /nfs/dbraw/zinc/55/24/54/663552454.db2.gz NLMINJUTURNAPH-UHFFFAOYSA-N 1 0 383.330 2.999 20 0 GFADRO Cc1cc2c(o1)c(C(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCN1C)ccc2Br ZINC000896545456 663562988 /nfs/dbraw/zinc/56/29/88/663562988.db2.gz MKPJSYMJRYTMCF-BLLLJJGKSA-N 1 0 394.313 2.868 20 0 GFADRO C[C@H](NC(=O)CCCc1ccccc1Br)[C@H]1C[N@H+](C)CCN1C ZINC000896554220 663563490 /nfs/dbraw/zinc/56/34/90/663563490.db2.gz DDBAVNJMAUFCPD-WMLDXEAASA-N 1 0 382.346 2.522 20 0 GFADRO C[C@@H](NC(=O)CCCCc1ccc(Br)cc1)[C@@H]1C[N@H+](C)CCN1C ZINC000896573485 663565538 /nfs/dbraw/zinc/56/55/38/663565538.db2.gz XOLPQSUKIOWEGC-QAPCUYQASA-N 1 0 396.373 2.912 20 0 GFADRO O=C(Nc1nnc(-c2ccc(Cl)cc2)s1)C1C[NH+](C2CCOCC2)C1 ZINC000897029731 663587408 /nfs/dbraw/zinc/58/74/08/663587408.db2.gz HFHIFZDZLQCOSR-UHFFFAOYSA-N 1 0 378.885 2.908 20 0 GFADRO CCC1([NH+]2CCCCC2)CCN(C(=O)C(=O)NC[C@@H]2CC2(Cl)Cl)CC1 ZINC000897352730 663602249 /nfs/dbraw/zinc/60/22/49/663602249.db2.gz SDVPZAVKIMDJJB-AWEZNQCLSA-N 1 0 390.355 2.554 20 0 GFADRO CO[C@@]1(C(=O)NC[C@@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)CCSC1 ZINC000897416060 663605015 /nfs/dbraw/zinc/60/50/15/663605015.db2.gz PBOGHDXNQNVUQM-HOCLYGCPSA-N 1 0 376.444 2.946 20 0 GFADRO CO[C@]1(C(=O)NC[C@@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)CCSC1 ZINC000897416059 663605101 /nfs/dbraw/zinc/60/51/01/663605101.db2.gz PBOGHDXNQNVUQM-GOEBONIOSA-N 1 0 376.444 2.946 20 0 GFADRO COc1ccc(Br)c(CN(C)C(=O)C2C[NH+](C3CCOCC3)C2)c1 ZINC000897565694 663611373 /nfs/dbraw/zinc/61/13/73/663611373.db2.gz SCDBZSZXNTVHCW-UHFFFAOYSA-N 1 0 397.313 2.527 20 0 GFADRO NS(=O)(=O)c1ccc(C2CC[NH+](Cc3nc4c(s3)CCC4)CC2)cc1 ZINC000897572034 663611927 /nfs/dbraw/zinc/61/19/27/663611927.db2.gz HKJLLQMRSFDDJK-UHFFFAOYSA-N 1 0 377.535 2.659 20 0 GFADRO C[NH+](C)C[C@]1(O)CCCN(C(=O)CCCc2ccc(Br)cc2)C1 ZINC000897585772 663612440 /nfs/dbraw/zinc/61/24/40/663612440.db2.gz WFRMPRRCRJWDQB-GOSISDBHSA-N 1 0 383.330 2.687 20 0 GFADRO CC(C)(C)N1CC[C@@H]1C(=O)NCc1nc(-c2cccc(Br)c2)no1 ZINC000897609347 663613431 /nfs/dbraw/zinc/61/34/31/663613431.db2.gz CBNXAFCPIXZSDF-CYBMUJFWSA-N 1 0 393.285 2.988 20 0 GFADRO C[C@@H](NC(=O)C(=O)NCc1cscc1Cl)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000897924460 663626144 /nfs/dbraw/zinc/62/61/44/663626144.db2.gz QPHTTZOVBRAGQF-OLZOCXBDSA-N 1 0 383.945 2.787 20 0 GFADRO CC(C)CC[NH+]1CCC(N[C@@H]2Cc3cc(Br)cnc3NC2=O)CC1 ZINC000897978389 663628314 /nfs/dbraw/zinc/62/83/14/663628314.db2.gz OJASIILDXBOHDH-MRXNPFEDSA-N 1 0 395.345 2.807 20 0 GFADRO Cn1cc([C@]2(C[NH2+]Cc3cc4c(c(Br)c3)OCO4)CCCO2)cn1 ZINC000898062747 663631873 /nfs/dbraw/zinc/63/18/73/663631873.db2.gz WOQCYHSBGRWMIY-QGZVFWFLSA-N 1 0 394.269 2.707 20 0 GFADRO Cn1ncc(Br)c1C[NH2+][C@@H]1C[C@@H]2CC[C@H]1N2C(=O)OC(C)(C)C ZINC000898074447 663632355 /nfs/dbraw/zinc/63/23/55/663632355.db2.gz RGACORLMBALHHS-CYZMBNFOSA-N 1 0 385.306 2.813 20 0 GFADRO Cc1ccc(C[NH2+][C@H]2CCN(c3cc(=O)[nH]cn3)C2)c(C)c1Br ZINC000898149843 663635434 /nfs/dbraw/zinc/63/54/34/663635434.db2.gz HSAUNXQYLRCIPD-AWEZNQCLSA-N 1 0 377.286 2.930 20 0 GFADRO C[C@@](CO)([NH2+]Cc1ccc2c(c1)NC(=O)CO2)c1cccc(Br)c1 ZINC000898169036 663637043 /nfs/dbraw/zinc/63/70/43/663637043.db2.gz XYPVSGXUYFCTAO-SFHVURJKSA-N 1 0 391.265 2.777 20 0 GFADRO CCOc1cc(C[NH2+]Cc2cnc3n2CCOC3)cc(Br)c1OC ZINC000898271721 663641495 /nfs/dbraw/zinc/64/14/95/663641495.db2.gz HNISFAVIHIYXRD-UHFFFAOYSA-N 1 0 396.285 2.873 20 0 GFADRO O=c1[nH]ncc(N2CC[C@H]([NH2+]Cc3cn4cc(Cl)ccc4n3)C2)c1Cl ZINC000898365337 663644817 /nfs/dbraw/zinc/64/48/17/663644817.db2.gz ZWLPUCNMPPNWQY-NSHDSACASA-N 1 0 379.251 2.505 20 0 GFADRO Cc1cc(C[NH2+][C@H]2CCN(c3cn[nH]c(=O)c3Cl)C2)ncc1Br ZINC000898372820 663645314 /nfs/dbraw/zinc/64/53/14/663645314.db2.gz XMOMRHSWVLEBOF-JTQLQIEISA-N 1 0 398.692 2.670 20 0 GFADRO COC(=O)C1CC2(C1)C[C@H]([NH2+]Cc1cc(C)cc(Cl)c1)CCS2(=O)=O ZINC000898489189 663652270 /nfs/dbraw/zinc/65/22/70/663652270.db2.gz XCLGHCKCBRMWLA-BFHRDPOASA-N 1 0 385.913 2.637 20 0 GFADRO O=C(c1cnn(-c2ccccc2)c1Br)N1CC([NH+]2CCCC2)C1 ZINC000898606215 663657813 /nfs/dbraw/zinc/65/78/13/663657813.db2.gz RKZYTVFRGKZPHK-UHFFFAOYSA-N 1 0 375.270 2.555 20 0 GFADRO O=C(Cc1cc(Br)ccc1F)NC1CC[NH+](C2CCOCC2)CC1 ZINC000898634277 663658680 /nfs/dbraw/zinc/65/86/80/663658680.db2.gz OHUXUPCSBDMMAM-UHFFFAOYSA-N 1 0 399.304 2.890 20 0 GFADRO COC(=O)c1ccc(C[NH2+][C@H]2CCc3ncc(Br)n3C2)c(F)c1 ZINC000898717115 663660031 /nfs/dbraw/zinc/66/00/31/663660031.db2.gz GHFNRRZQAQRVDF-LBPRGKRZSA-N 1 0 382.233 2.676 20 0 GFADRO CCc1oc(C[NH2+][C@@H]2CCc3ncc(Br)n3C2)cc1C(=O)OC ZINC000898719190 663660259 /nfs/dbraw/zinc/66/02/59/663660259.db2.gz CRQPNPZOSMZEKK-SNVBAGLBSA-N 1 0 382.258 2.692 20 0 GFADRO C[NH+](C)[C@@H]1C[C@@H](NC(=O)c2c(Br)nc3n2CCCC3)C12CCC2 ZINC000898830245 663665737 /nfs/dbraw/zinc/66/57/37/663665737.db2.gz OBRAFOOURMBSJS-VXGBXAGGSA-N 1 0 381.318 2.585 20 0 GFADRO CC(C)[NH+]1CCN(CCC(=O)NCc2ccc(Br)c(F)c2)CC1 ZINC000900430862 663714390 /nfs/dbraw/zinc/71/43/90/663714390.db2.gz VJVGNZASGDINSP-UHFFFAOYSA-N 1 0 386.309 2.621 20 0 GFADRO C[NH+]1CCC(NCc2cn(Cc3ccc(Cl)cc3Br)nn2)CC1 ZINC000900541780 663716627 /nfs/dbraw/zinc/71/66/27/663716627.db2.gz HGWMUDXSCQKRGJ-UHFFFAOYSA-N 1 0 398.736 2.926 20 0 GFADRO Cc1ccc(F)c(Br)c1C(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000900693393 663719817 /nfs/dbraw/zinc/71/98/17/663719817.db2.gz RKAWAGMLRGCNGJ-GFCCVEGCSA-N 1 0 386.309 2.510 20 0 GFADRO O=C(Nc1ccc(Cl)cc1OCC(F)(F)F)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000900709657 663720103 /nfs/dbraw/zinc/72/01/03/663720103.db2.gz CNENGQLLKLIXQP-GFCCVEGCSA-N 1 0 378.778 2.940 20 0 GFADRO CC(C)[NH+]1CCN(CCC(=O)NCCc2ccc(Br)cc2)CC1 ZINC000900743284 663720695 /nfs/dbraw/zinc/72/06/95/663720695.db2.gz PHTVRGGXNDOHFV-UHFFFAOYSA-N 1 0 382.346 2.524 20 0 GFADRO C[C@@H](NC(=O)C12CC[NH+](CC1)C2)c1nc(-c2ccc(Br)cc2)no1 ZINC000901059624 663729726 /nfs/dbraw/zinc/72/97/26/663729726.db2.gz CHGVHNDFWBNRLP-LLVKDONJSA-N 1 0 391.269 2.772 20 0 GFADRO Cc1cc(C)c(CC(=O)NC2(CCO)CC[NH+](C)CC2)c(C)c1Br ZINC000901346853 663734380 /nfs/dbraw/zinc/73/43/80/663734380.db2.gz NJIKJTAHVQTBPP-UHFFFAOYSA-N 1 0 397.357 2.880 20 0 GFADRO NC(=O)[C@H]([NH2+]C[C@H]1CCCN1CC(F)(F)F)c1ccc(Br)cc1 ZINC000901573866 663737998 /nfs/dbraw/zinc/73/79/98/663737998.db2.gz UKDSGJSKGGKSHM-CHWSQXEVSA-N 1 0 394.235 2.592 20 0 GFADRO C[C@@H]([NH2+][C@H]1CCc2ncc(Br)n2C1)C(=O)Nc1cc(F)ccc1F ZINC000901727217 663743671 /nfs/dbraw/zinc/74/36/71/663743671.db2.gz DWHOMPXRXNEFNV-KOLCDFICSA-N 1 0 399.239 2.855 20 0 GFADRO Cc1ccc(CNC(=O)[C@@H](C)[NH2+][C@H]2CCc3ncc(Br)n3C2)cc1 ZINC000901728393 663743785 /nfs/dbraw/zinc/74/37/85/663743785.db2.gz MJZPADQYFBRPJA-HIFRSBDPSA-N 1 0 391.313 2.563 20 0 GFADRO C[C@@H]([NH2+][C@@H]1CCc2ncc(Br)n2C1)C(=O)Nc1ccc(Cl)cn1 ZINC000901728954 663743978 /nfs/dbraw/zinc/74/39/78/663743978.db2.gz QDIAEAJEBVBUOY-MWLCHTKSSA-N 1 0 398.692 2.626 20 0 GFADRO CCn1cnc(C[NH2+]C[C@@H](CO)Cc2ccc(OC)c(Br)c2)c1 ZINC000902583402 663763764 /nfs/dbraw/zinc/76/37/64/663763764.db2.gz CXAKLRCTJHGFAM-AWEZNQCLSA-N 1 0 382.302 2.615 20 0 GFADRO CC(C)COC[C@H](O)C[NH2+][C@@H](C)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000903075999 663772515 /nfs/dbraw/zinc/77/25/15/663772515.db2.gz ILMRDEUDUBTESK-GXTWGEPZSA-N 1 0 383.432 2.664 20 0 GFADRO C[C@@H]([NH2+]Cc1c(I)cnn1C)[C@H]1COc2ccccc2C1 ZINC000903080547 663772679 /nfs/dbraw/zinc/77/26/79/663772679.db2.gz PORKJOMIRZBKJR-DGCLKSJQSA-N 1 0 397.260 2.754 20 0 GFADRO COC1(C[NH2+][C@@H](C)c2cccc(S(=O)(=O)C(F)(F)F)c2)CCOCC1 ZINC000903125689 663775135 /nfs/dbraw/zinc/77/51/35/663775135.db2.gz NRFLEFJBHPJHGS-LBPRGKRZSA-N 1 0 381.416 2.826 20 0 GFADRO C[C@@H]([NH2+]C[C@H]1CCCCS1(=O)=O)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000903147463 663776125 /nfs/dbraw/zinc/77/61/25/663776125.db2.gz ILEUNHZYDUDEJH-BXUZGUMPSA-N 1 0 399.456 2.598 20 0 GFADRO Brc1cccc([C@@H]([NH2+]CCN2CCCOCC2)[C@@H]2CCOC2)c1 ZINC000903225862 663779046 /nfs/dbraw/zinc/77/90/46/663779046.db2.gz CIIHMYWPZYFPPU-SJLPKXTDSA-N 1 0 383.330 2.839 20 0 GFADRO C[C@@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+]CCS(=O)(=O)N1CCCC1 ZINC000903292218 663780981 /nfs/dbraw/zinc/78/09/81/663780981.db2.gz SNDJIVJWVRTFTH-NSHDSACASA-N 1 0 399.866 2.700 20 0 GFADRO CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+]C[C@@]2(OC)CCSC2)cc1 ZINC000903309459 663781325 /nfs/dbraw/zinc/78/13/25/663781325.db2.gz DUSNDRHOAZEWKA-YJBOKZPZSA-N 1 0 386.583 2.890 20 0 GFADRO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NCc1ncc(Br)cn1 ZINC000903318462 663781504 /nfs/dbraw/zinc/78/15/04/663781504.db2.gz KVPDEMIOSDKJTE-XJKSGUPXSA-N 1 0 376.302 2.634 20 0 GFADRO CC[C@@H](Cc1ccc(Br)cc1)[NH2+]C[C@@]1(OC)CCS(=O)(=O)C1 ZINC000903362094 663782502 /nfs/dbraw/zinc/78/25/02/663782502.db2.gz CTSROADVTMHKJO-HOTGVXAUSA-N 1 0 390.343 2.564 20 0 GFADRO CO[C@@]1(C[NH2+][C@@H](C)c2cc(Br)ccc2C)CCS(=O)(=O)C1 ZINC000903363216 663782705 /nfs/dbraw/zinc/78/27/05/663782705.db2.gz MPIOEVSSTVMJRY-SWLSCSKDSA-N 1 0 376.316 2.612 20 0 GFADRO CO[C@@]1(C[NH2+][C@H](C)c2ccc(SCC(F)F)cc2)CCS(=O)(=O)C1 ZINC000903369480 663783134 /nfs/dbraw/zinc/78/31/34/663783134.db2.gz XWNAZYCESBGLKC-MLGOLLRUSA-N 1 0 379.494 2.898 20 0 GFADRO O=c1cc(N2CC[C@H]([NH2+][C@H]3CCc4ccc(Br)cc43)C2)nc[nH]1 ZINC000903400165 663783920 /nfs/dbraw/zinc/78/39/20/663783920.db2.gz RYCQRJJIVWPDCS-ZFWWWQNUSA-N 1 0 375.270 2.801 20 0 GFADRO C[C@H]([NH2+]Cc1cccc(N(C)S(C)(=O)=O)c1)c1ccc([S@](C)=O)cc1 ZINC000903424092 663784420 /nfs/dbraw/zinc/78/44/20/663784420.db2.gz LYHUAMMHDRHJPS-BSEYFRJRSA-N 1 0 380.535 2.671 20 0 GFADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2cnc(Br)s2)[C@H](C)C1 ZINC000903441718 663784850 /nfs/dbraw/zinc/78/48/50/663784850.db2.gz DRIMGUCTWNXVSW-NEPJUHHUSA-N 1 0 390.347 2.772 20 0 GFADRO COC(=O)C1CC2(C1)C[C@H]([NH2+][C@H](C)c1ccc(Cl)s1)CCS2(=O)=O ZINC000903451871 663785041 /nfs/dbraw/zinc/78/50/41/663785041.db2.gz IRZOUYIURIQDQB-QZCIIZHISA-N 1 0 391.942 2.951 20 0 GFADRO C[C@H]([NH2+][C@H]1CCc2ncc(Br)n2C1)c1cnnn1-c1ccccc1 ZINC000903480257 663785521 /nfs/dbraw/zinc/78/55/21/663785521.db2.gz OJKVSGNMWOQAHZ-STQMWFEESA-N 1 0 387.285 2.892 20 0 GFADRO [NH3+][C@H]1CCO[C@H](C2CCN(S(=O)(=O)c3cc4ccccc4s3)CC2)C1 ZINC000903504361 663785830 /nfs/dbraw/zinc/78/58/30/663785830.db2.gz SOFXRCLILGDWML-HOTGVXAUSA-N 1 0 380.535 2.808 20 0 GFADRO C[C@H]([NH3+])C1CCN(S(=O)(=O)Cc2cccc(Cl)c2Br)CC1 ZINC000903512667 663786266 /nfs/dbraw/zinc/78/62/66/663786266.db2.gz CEIVFAINIMFHCO-JTQLQIEISA-N 1 0 395.750 2.992 20 0 GFADRO COc1ccc(Cl)cc1NC(=O)CCN1CC[C@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000903534426 663787598 /nfs/dbraw/zinc/78/75/98/663787598.db2.gz MJHVSUJOAZGVBQ-RYUDHWBXSA-N 1 0 379.810 2.889 20 0 GFADRO C[C@@H]1CN(S(=O)(=O)c2cc(Br)sc2Cl)C[C@H]1CC[NH3+] ZINC000903556003 663788510 /nfs/dbraw/zinc/78/85/10/663788510.db2.gz JWELWQNJEVRLJM-HTQZYQBOSA-N 1 0 387.752 2.769 20 0 GFADRO COc1cc(Cl)c(S(=O)(=O)NC2(C3CC[NH2+]CC3)CC2)cc1Cl ZINC000903556677 663788520 /nfs/dbraw/zinc/78/85/20/663788520.db2.gz FJPALPQHRGNZAW-UHFFFAOYSA-N 1 0 379.309 2.813 20 0 GFADRO O=S(=O)(Cc1cccc(F)c1Br)NC1(C2CC[NH2+]CC2)CC1 ZINC000903555168 663788527 /nfs/dbraw/zinc/78/85/27/663788527.db2.gz BTHYPXOHJHQJOO-UHFFFAOYSA-N 1 0 391.306 2.540 20 0 GFADRO O=S(=O)(/C=C\c1ccc(Br)cc1)NC1(C2CC[NH2+]CC2)CC1 ZINC000903557216 663788569 /nfs/dbraw/zinc/78/85/69/663788569.db2.gz UNEHIVSWUCFAQJ-GHXNOFRVSA-N 1 0 385.327 2.871 20 0 GFADRO [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(S(=O)(=O)c1ccc(Br)cc1Cl)C2 ZINC000903581929 663790427 /nfs/dbraw/zinc/79/04/27/663790427.db2.gz OEZIIBPOUVMXJY-LSJOCFKGSA-N 1 0 379.707 2.603 20 0 GFADRO O=S(=O)(c1c(Cl)cccc1Br)N1CCC[C@]12CC[NH2+]C2 ZINC000903593640 663791093 /nfs/dbraw/zinc/79/10/93/663791093.db2.gz RMBZDDQDCWKXEU-CYBMUJFWSA-N 1 0 379.707 2.619 20 0 GFADRO CS(=O)(=O)c1ccc(-c2nc(CN3CC[C@@H]4CC[C@@]43C[NH3+])cs2)cc1 ZINC000903856093 663809001 /nfs/dbraw/zinc/80/90/01/663809001.db2.gz PWHYDTUFSAQESZ-KBXCAEBGSA-N 1 0 377.535 2.527 20 0 GFADRO [NH3+][C@@H](CC(F)F)CN1CCN(Cc2ccc(Br)c(F)c2)CC1 ZINC000903909625 663810883 /nfs/dbraw/zinc/81/08/83/663810883.db2.gz GQRDCSNUFUTXSI-LBPRGKRZSA-N 1 0 380.252 2.688 20 0 GFADRO Cc1c(C[C@@H](C[NH3+])CN2CCc3cc(F)cc(Br)c3C2)cnn1C ZINC000903935127 663812824 /nfs/dbraw/zinc/81/28/24/663812824.db2.gz NSRUAOXXOCHSDS-ZDUSSCGKSA-N 1 0 395.320 2.806 20 0 GFADRO Cc1cc(Br)c2c(c1)CCN(Cc1cnnn1[C@H]1CCC[NH2+]C1)C2 ZINC000903934699 663812836 /nfs/dbraw/zinc/81/28/36/663812836.db2.gz IWSIXDHWAQJSED-HNNXBMFYSA-N 1 0 390.329 2.832 20 0 GFADRO [NH3+]Cc1nc2c(s1)CCN(Cc1cc(Br)c3c(c1)OCCO3)C2 ZINC000903940756 663813100 /nfs/dbraw/zinc/81/31/00/663813100.db2.gz DHMNUUMETXSLNU-UHFFFAOYSA-N 1 0 396.310 2.694 20 0 GFADRO FC1(F)CC[NH2+]C[C@H]1CNCc1ncc(Br)cc1Br ZINC000903957886 663814072 /nfs/dbraw/zinc/81/40/72/663814072.db2.gz UDKYEHDZDQPENX-QMMMGPOBSA-N 1 0 399.077 2.941 20 0 GFADRO C[N@@H+]1CC[C@@H](Cc2nc(Cc3cc(Br)c4c(c3)OCCO4)no2)C1 ZINC000903991499 663815851 /nfs/dbraw/zinc/81/58/51/663815851.db2.gz IJPSVBURLLNNND-NSHDSACASA-N 1 0 394.269 2.688 20 0 GFADRO O=S(=O)(Cc1noc([C@@H]2[C@@H]3CC[NH2+]C[C@@H]32)n1)c1cc(Cl)ccc1Cl ZINC000904100300 663824008 /nfs/dbraw/zinc/82/40/08/663824008.db2.gz AGOYIKGJFQCIRS-ISTVAULSSA-N 1 0 388.276 2.673 20 0 GFADRO [NH3+]C1CC(Cc2nc(CS(=O)(=O)c3cc(Cl)ccc3Cl)no2)C1 ZINC000904100685 663824231 /nfs/dbraw/zinc/82/42/31/663824231.db2.gz FBATVPSZCNSNAD-UHFFFAOYSA-N 1 0 376.265 2.630 20 0 GFADRO [NH3+]CCCn1ccc(-c2nc(CCc3ccccc3Br)no2)n1 ZINC000904104770 663824535 /nfs/dbraw/zinc/82/45/35/663824535.db2.gz XACGREYPPHQHQK-UHFFFAOYSA-N 1 0 376.258 2.830 20 0 GFADRO C[NH2+]CCCCc1nc(-c2cccn3c(I)cnc23)no1 ZINC000904112251 663824778 /nfs/dbraw/zinc/82/47/78/663824778.db2.gz AANPCTZNSNJEIR-UHFFFAOYSA-N 1 0 397.220 2.531 20 0 GFADRO N[C@H](CC1CC1)c1nc(-c2ccc3ncc(I)n3c2)no1 ZINC000904112339 663824880 /nfs/dbraw/zinc/82/48/80/663824880.db2.gz DIFWGLKTPMQEPR-SNVBAGLBSA-N 1 0 395.204 2.789 20 0 GFADRO [NH3+]C[C@@]12CC[C@@H]1CCN2C(=O)Nc1cc(Br)ccc1-n1cccn1 ZINC000904337058 663830748 /nfs/dbraw/zinc/83/07/48/663830748.db2.gz ZMWVNFAWNMEHJI-PXAZEXFGSA-N 1 0 390.285 2.980 20 0 GFADRO CCOC(=O)c1c(NC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)sc2c1CCSC2 ZINC000904389367 663832345 /nfs/dbraw/zinc/83/23/45/663832345.db2.gz KZEOYHZUAXDLLU-ADEWGFFLSA-N 1 0 381.523 2.729 20 0 GFADRO COCCOc1ccc(Br)cc1NC(=O)N1CC[C@@H]2CC[C@@]21C[NH3+] ZINC000904411348 663833426 /nfs/dbraw/zinc/83/34/26/663833426.db2.gz UVYOPHDCHXWFQJ-YVEFUNNKSA-N 1 0 398.301 2.819 20 0 GFADRO [NH3+]C[C@H]1C[C@H](NC(=O)Nc2ccnn2Cc2ccc(Br)cc2)C1 ZINC000904427369 663833593 /nfs/dbraw/zinc/83/35/93/663833593.db2.gz YPBCVITVQUIODA-MQMHXKEQSA-N 1 0 378.274 2.553 20 0 GFADRO CNC(=O)c1cccc(NC(=O)N2CCC[C@@H]3CC[C@]32C[NH3+])c1Br ZINC000904483430 663835694 /nfs/dbraw/zinc/83/56/94/663835694.db2.gz JGHDHPMMEUMHIG-DIFFPNOSSA-N 1 0 395.301 2.544 20 0 GFADRO COCC[C@@H]1C[NH2+]CCN1C(=O)Nc1cccc2cc(Br)cnc21 ZINC000904477344 663835721 /nfs/dbraw/zinc/83/57/21/663835721.db2.gz UJZXOLLVMRTUAC-CQSZACIVSA-N 1 0 393.285 2.840 20 0 GFADRO Cc1cnc(Br)c(NC(=O)N2CC[NH2+]CCC23CCOCC3)c1 ZINC000904484941 663836069 /nfs/dbraw/zinc/83/60/69/663836069.db2.gz HGGIQCLIUXUPLP-UHFFFAOYSA-N 1 0 383.290 2.529 20 0 GFADRO O[C@H](C[NH2+]C[C@@H]1CCN(c2cccc(Br)c2)C1)CC1(O)CCCC1 ZINC000905067102 663851242 /nfs/dbraw/zinc/85/12/42/663851242.db2.gz FJXKWOWBHNPPKK-YJBOKZPZSA-N 1 0 397.357 2.921 20 0 GFADRO NS(=O)(=O)Cc1cccc(C[NH2+]C[C@@H](O)c2ccc(Cl)c(Cl)c2)c1 ZINC000905090421 663852225 /nfs/dbraw/zinc/85/22/25/663852225.db2.gz UZJTYMHWGQPLBH-MRXNPFEDSA-N 1 0 389.304 2.605 20 0 GFADRO CC[C@@H](C[NH2+]C[C@@H](O)C1(O)CCOCC1)Cc1cccc(Br)c1 ZINC000905128596 663854153 /nfs/dbraw/zinc/85/41/53/663854153.db2.gz SLBCTYZUSLBDLS-RHSMWYFYSA-N 1 0 386.330 2.510 20 0 GFADRO CC[C@H](C[NH2+]C[C@H](O)C[C@@]1(O)CCOC1)Cc1cccc(Br)c1 ZINC000905128593 663854179 /nfs/dbraw/zinc/85/41/79/663854179.db2.gz SKJIJKIPMWZYEQ-QGTPRVQTSA-N 1 0 386.330 2.510 20 0 GFADRO C[C@@H](C[NH2+]C[C@H](O)C1(S(=O)(=O)NC(C)(C)C)CCC1)Cc1cccs1 ZINC000905132452 663854693 /nfs/dbraw/zinc/85/46/93/663854693.db2.gz ASAPDNHAJZZJCD-ZBFHGGJFSA-N 1 0 388.599 2.518 20 0 GFADRO CC(C)(CNC(=O)c1nscc1I)[NH+]1CCCCC1 ZINC000905220862 663860173 /nfs/dbraw/zinc/86/01/73/663860173.db2.gz AFMTYGRLMWNRSV-UHFFFAOYSA-N 1 0 393.294 2.742 20 0 GFADRO CCOC(=O)C1CCC(O)(C[C@H](O)C[NH2+]CC[C@@]2(C)CC2(Cl)Cl)CC1 ZINC000905279800 663863617 /nfs/dbraw/zinc/86/36/17/663863617.db2.gz NDVOLYVFCCDZDU-BYLPVYNFSA-N 1 0 396.355 2.785 20 0 GFADRO [NH3+]C1CCN(CCNC(=O)Nc2ccc(Br)cc2Cl)CC1 ZINC000905292974 663864520 /nfs/dbraw/zinc/86/45/20/663864520.db2.gz BORYMSQSZZFEBZ-UHFFFAOYSA-N 1 0 375.698 2.647 20 0 GFADRO Brc1cnn(-c2ncccc2-c2nc(CC3CC[NH2+]CC3)no2)c1 ZINC000905310205 663865355 /nfs/dbraw/zinc/86/53/55/663865355.db2.gz ULKOMRMRXUPQBG-UHFFFAOYSA-N 1 0 389.257 2.622 20 0 GFADRO O=S(=O)(CC1CC[NH2+]CC1)N1CCC(c2nc3c(s2)CCCC3)CC1 ZINC000905346867 663866728 /nfs/dbraw/zinc/86/67/28/663866728.db2.gz YXVAVEHLBZBKNF-UHFFFAOYSA-N 1 0 383.583 2.531 20 0 GFADRO CC(C)(C)n1cc(C[NH2+]C[C@@H](O)c2ccc(Cl)c(Cl)c2)c(=O)[nH]c1=O ZINC000905531340 663876802 /nfs/dbraw/zinc/87/68/02/663876802.db2.gz XURUPXQHCLRNJR-CQSZACIVSA-N 1 0 386.279 2.834 20 0 GFADRO CSCCCNC(=S)NCCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000905542019 663877688 /nfs/dbraw/zinc/87/76/88/663877688.db2.gz FNEMFBCCNZKDGC-UHFFFAOYSA-N 1 0 381.611 2.621 20 0 GFADRO CS(=O)(=O)c1ccccc1CC[NH2+]CCC(=O)Nc1ccc(Cl)cc1 ZINC000905555113 663878234 /nfs/dbraw/zinc/87/82/34/663878234.db2.gz GVGRUKMQRNPVDQ-UHFFFAOYSA-N 1 0 380.897 2.904 20 0 GFADRO Cn1nc(C(F)(F)F)cc1C[NH2+]C[C@@H](O)COCc1ccc(Cl)cc1 ZINC000905570052 663878889 /nfs/dbraw/zinc/87/88/89/663878889.db2.gz VVYACNTXYNFSQN-CQSZACIVSA-N 1 0 377.794 2.760 20 0 GFADRO O[C@@H](C[NH2+]C[C@@H]1C=C[C@H]2C[C@@H]1CO2)COc1cc(F)cc(Br)c1 ZINC000905568406 663878945 /nfs/dbraw/zinc/87/89/45/663878945.db2.gz KNHLKZUBXPMRLL-VZAMPYOESA-N 1 0 386.261 2.509 20 0 GFADRO O[C@@H](C[NH2+]C[C@@H]1CCN1C1CCOCC1)COc1c(Cl)cccc1Cl ZINC000905619882 663881881 /nfs/dbraw/zinc/88/18/81/663881881.db2.gz BICHFUHBRUWQIP-GJZGRUSLSA-N 1 0 389.323 2.576 20 0 GFADRO COC(=O)[C@H]1C[C@@H]2C[C@H]([NH2+]C[C@@H](O)COc3ccc(Cl)cc3Cl)[C@@H]2C1 ZINC000905655417 663884244 /nfs/dbraw/zinc/88/42/44/663884244.db2.gz WODIRWDAOUOZGB-JYCXNCNHSA-N 1 0 388.291 2.910 20 0 GFADRO Cn1cc([C@@]2(C[NH2+]C[C@@H](O)c3ccccc3Br)CCCO2)cn1 ZINC000905688635 663886366 /nfs/dbraw/zinc/88/63/66/663886366.db2.gz XMVMVWLRUVTZAJ-SJORKVTESA-N 1 0 380.286 2.512 20 0 GFADRO Cc1cc(Br)c(Cn2cc(CN3CCC([NH3+])CC3)nn2)cc1Cl ZINC000905812515 663893400 /nfs/dbraw/zinc/89/34/00/663893400.db2.gz CZCWDHISLGKQAP-UHFFFAOYSA-N 1 0 398.736 2.974 20 0 GFADRO C[NH+](C)CCc1ccccc1NS(=O)(=O)N=[S@@](C)(=O)c1ccccc1 ZINC000906064107 663918471 /nfs/dbraw/zinc/91/84/71/663918471.db2.gz INJXEQNNJWYVNH-DEOSSOPVSA-N 1 0 381.523 2.604 20 0 GFADRO CCc1[nH]nc(NC(=O)[C@H]([NH3+])Cc2c[nH]c3ccccc23)c1Br ZINC000906087210 663923804 /nfs/dbraw/zinc/92/38/04/663923804.db2.gz YCOSXGSZIGBBGM-LLVKDONJSA-N 1 0 376.258 2.724 20 0 GFADRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1nscc1I ZINC000906390021 663944453 /nfs/dbraw/zinc/94/44/53/663944453.db2.gz OOKDQSBXXFNPHU-UWVGGRQHSA-N 1 0 393.294 2.598 20 0 GFADRO C[NH+](C)CCn1cc(NC(=O)c2ccc(Cn3cc(Cl)cn3)s2)cn1 ZINC000906484478 663952013 /nfs/dbraw/zinc/95/20/13/663952013.db2.gz ZRRPDODJBBCPBV-UHFFFAOYSA-N 1 0 378.889 2.657 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)NC1(C2CC[NH2+]CC2)CC1 ZINC000906715770 663966886 /nfs/dbraw/zinc/96/68/86/663966886.db2.gz CXIMBARNFUXUOK-UHFFFAOYSA-N 1 0 394.313 2.653 20 0 GFADRO CN(C1CC[NH+](C)CC1)S(=O)(=O)c1c[nH]c2cc(Br)ccc21 ZINC000906786790 663970950 /nfs/dbraw/zinc/97/09/50/663970950.db2.gz OGTRQDRYKXPGRI-UHFFFAOYSA-N 1 0 386.315 2.645 20 0 GFADRO C[C@H](NC(=O)c1cc(Br)cn(C2CC2)c1=O)C(C)(C)C[NH+](C)C ZINC000906794123 663971493 /nfs/dbraw/zinc/97/14/93/663971493.db2.gz XREQEELUFQAOTM-NSHDSACASA-N 1 0 384.318 2.652 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(F)(F)c2ncccc2Br)C1 ZINC000906913142 663981736 /nfs/dbraw/zinc/98/17/36/663981736.db2.gz DRYMTTTZVXNMKX-WDEREUQCSA-N 1 0 376.245 2.925 20 0 GFADRO CCO[C@@H](CC[NH+](C)C)CNC(=O)c1ccc(Cn2cc(Cl)cn2)s1 ZINC000906941703 663984665 /nfs/dbraw/zinc/98/46/65/663984665.db2.gz KSIHGKSXQFLZDM-AWEZNQCLSA-N 1 0 384.933 2.733 20 0 GFADRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)c2cc(Br)cn(C3CC3)c2=O)C1 ZINC000906967282 663986988 /nfs/dbraw/zinc/98/69/88/663986988.db2.gz QYMOXKXFIHWGSE-CYBMUJFWSA-N 1 0 396.329 2.653 20 0 GFADRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C(F)(F)c2ncccc2Br)C1 ZINC000907065093 663998872 /nfs/dbraw/zinc/99/88/72/663998872.db2.gz NENRRHIMAXHZDI-AAEUAGOBSA-N 1 0 388.256 2.879 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2S(=O)(=O)c1cc2ccccc2s1 ZINC000907066085 663998905 /nfs/dbraw/zinc/99/89/05/663998905.db2.gz MISCLIZDOWRUDW-PMPSAXMXSA-N 1 0 380.535 2.774 20 0 GFADRO CN1Cc2ccccc2[C@H](NC(=O)c2nscc2I)C1 ZINC000907136694 664005997 /nfs/dbraw/zinc/00/59/97/664005997.db2.gz MMIDANQCPCNTBQ-GFCCVEGCSA-N 1 0 399.257 2.664 20 0 GFADRO C[N@@H+]1CCCC12CCN(C(=O)c1cccn3ncc(Br)c13)CC2 ZINC000907206366 664012052 /nfs/dbraw/zinc/01/20/52/664012052.db2.gz NNHPQZCFTZEZCN-UHFFFAOYSA-N 1 0 377.286 2.797 20 0 GFADRO Cc1ccc(C[N@H+]2CC[C@H](CN(C)S(=O)(=O)CC[C@@H]3CCCO3)C2)s1 ZINC000907344178 664025896 /nfs/dbraw/zinc/02/58/96/664025896.db2.gz CQHCEBRLEDEQEH-SJORKVTESA-N 1 0 386.583 2.709 20 0 GFADRO Cc1ccc(C[N@H+]2CC[C@H](CN(C)S(=O)(=O)N(C)[C@H](C)C3CC3)C2)s1 ZINC000907347915 664026720 /nfs/dbraw/zinc/02/67/20/664026720.db2.gz XBUJIIOGRWNCDY-HZPDHXFCSA-N 1 0 385.599 2.785 20 0 GFADRO Cc1ccc(C[N@H+]2CC[C@H](CN(C)S(=O)(=O)CC[C@@H]3CCOC3)C2)s1 ZINC000907347496 664026931 /nfs/dbraw/zinc/02/69/31/664026931.db2.gz SAXXAFIADVAEKC-DLBZAZTESA-N 1 0 386.583 2.567 20 0 GFADRO Cc1cc(Br)c(CC(=O)N[C@@H](C)CC[NH+]2CCN(C)CC2)s1 ZINC000907458113 664036337 /nfs/dbraw/zinc/03/63/37/664036337.db2.gz XMDYNYNDHXNUHS-LBPRGKRZSA-N 1 0 388.375 2.504 20 0 GFADRO CC[C@H]1C[N@H+](C)CCCN1C(=O)c1cc(Br)cn(C2CC2)c1=O ZINC000907927744 664071999 /nfs/dbraw/zinc/07/19/99/664071999.db2.gz YDZRCYJXQMEIAH-ZDUSSCGKSA-N 1 0 382.302 2.502 20 0 GFADRO C[N@@H+]1CCC[C@](O)(CC(=O)Nc2c(O)cc(Br)cc2Cl)C1 ZINC000908155903 664088429 /nfs/dbraw/zinc/08/84/29/664088429.db2.gz LDHDNTSMHIHQQW-AWEZNQCLSA-N 1 0 377.666 2.593 20 0 GFADRO C[NH+](C)CCn1nccc1NC(=O)c1ccc(Cn2cc(Cl)cn2)s1 ZINC000908441716 664106571 /nfs/dbraw/zinc/10/65/71/664106571.db2.gz BVDINYLRBXHYJH-UHFFFAOYSA-N 1 0 378.889 2.657 20 0 GFADRO CC(C)[NH2+]C1(CO)CCN(C(=O)c2c(Cl)nc3cc(Cl)ccn32)CC1 ZINC000908612932 664117708 /nfs/dbraw/zinc/11/77/08/664117708.db2.gz LQRLNYSUGSVRAU-UHFFFAOYSA-N 1 0 385.295 2.606 20 0 GFADRO Cc1sc(C(=O)N2CCC(CO)([NH2+]C(C)C)CC2)cc1Br ZINC000908609868 664117770 /nfs/dbraw/zinc/11/77/70/664117770.db2.gz UAJDWOMHZAIJGB-UHFFFAOYSA-N 1 0 375.332 2.784 20 0 GFADRO C[NH+](C)CCn1nccc1C(=O)N1CC[C@@H](c2cccc(Br)c2)C1 ZINC000908976508 664139399 /nfs/dbraw/zinc/13/93/99/664139399.db2.gz YYTYMYXGIOORDY-OAHLLOKOSA-N 1 0 391.313 2.837 20 0 GFADRO CC[N@@H+]1CCCN(C(=O)[C@@H]2CCO[C@H]2c2cncc(Br)c2)[C@@H](C)C1 ZINC000910266847 664204057 /nfs/dbraw/zinc/20/40/57/664204057.db2.gz OYRKWCHBGBVORJ-XKQJLSEDSA-N 1 0 396.329 2.864 20 0 GFADRO CC(C)[N@H+](CCO)CC1CCN(C(=O)c2csc(C(F)(F)F)n2)CC1 ZINC000910868555 664230576 /nfs/dbraw/zinc/23/05/76/664230576.db2.gz JTUMMGVNSAUEKY-UHFFFAOYSA-N 1 0 379.448 2.717 20 0 GFADRO CN(CC[NH+](C)C)c1ccc(Br)cc1NC(=O)CCc1cn[nH]c1 ZINC000911313812 664243006 /nfs/dbraw/zinc/24/30/06/664243006.db2.gz SKQKZLKJHQUBQQ-UHFFFAOYSA-N 1 0 394.317 2.741 20 0 GFADRO [NH3+][C@@H]1CCCN(C(=O)c2c(Cl)ccc(I)c2F)C1 ZINC000911622912 664250742 /nfs/dbraw/zinc/25/07/42/664250742.db2.gz KNEXUQOPTPWQEQ-SSDOTTSWSA-N 1 0 382.604 2.647 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C[C@H]1c2cccc(Br)c2NC1=O ZINC000911682326 664252863 /nfs/dbraw/zinc/25/28/63/664252863.db2.gz AQKNFDDGJUVOKU-JKOKRWQUSA-N 1 0 380.286 2.603 20 0 GFADRO [NH3+]C1CCC(NC(=O)c2cc(Br)cnc2Br)CC1 ZINC000911728116 664254542 /nfs/dbraw/zinc/25/45/42/664254542.db2.gz RIEPWJWIRFAZQN-UHFFFAOYSA-N 1 0 377.080 2.606 20 0 GFADRO C[NH2+][C@@H]1CCCN(C(=O)c2cnn(Cc3ccccc3)c2Br)C1 ZINC000911734482 664254741 /nfs/dbraw/zinc/25/47/41/664254741.db2.gz CFBTULYHIVRYBN-CQSZACIVSA-N 1 0 377.286 2.518 20 0 GFADRO CCC(CC)(C[NH3+])NC(=O)c1cc(Br)cnc1Br ZINC000911799009 664256592 /nfs/dbraw/zinc/25/65/92/664256592.db2.gz FJAMIRVDXMOERA-UHFFFAOYSA-N 1 0 379.096 2.854 20 0 GFADRO COc1ccc(Br)cc1[C@@H](N)C(=O)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000911855082 664258936 /nfs/dbraw/zinc/25/89/36/664258936.db2.gz HBHSKXWBVPPCKD-PIGZYNQJSA-N 1 0 392.297 2.794 20 0 GFADRO CCCC[C@H](C[NH3+])NC(=O)c1cnn(Cc2ccccc2)c1Br ZINC000911882710 664260757 /nfs/dbraw/zinc/26/07/57/664260757.db2.gz VKWFIBKNFQWJNN-CQSZACIVSA-N 1 0 379.302 2.941 20 0 GFADRO C[NH+]1CCC(N(CCO)C(=O)[C@H]2C[C@@]2(C)c2cccc(Br)c2)CC1 ZINC000911933757 664262598 /nfs/dbraw/zinc/26/25/98/664262598.db2.gz PMAPBWKOXZBEIH-MJGOQNOKSA-N 1 0 395.341 2.642 20 0 GFADRO [NH3+]CCn1cc(Br)cc(C(=O)Nc2cccc3c2CCCC3)c1=O ZINC000911939670 664262796 /nfs/dbraw/zinc/26/27/96/664262796.db2.gz RZJZUMXQTSNIMV-UHFFFAOYSA-N 1 0 390.281 2.701 20 0 GFADRO C[NH+]1CCC(N(CCO)C(=O)c2cc(Cl)c(F)cc2Br)CC1 ZINC000911941464 664262859 /nfs/dbraw/zinc/26/28/59/664262859.db2.gz AZBDBWAAOMOFBJ-UHFFFAOYSA-N 1 0 393.684 2.770 20 0 GFADRO C[C@@H]1CN(c2ccc(-c3nnc(Br)o3)cc2)CC[N@@H+]1CC(C)(C)O ZINC000912079533 664269465 /nfs/dbraw/zinc/26/94/65/664269465.db2.gz OOEZHQPFIHBWQT-GFCCVEGCSA-N 1 0 395.301 2.781 20 0 GFADRO O=C(NCCc1ccc(Br)cc1)[C@@H]1CC[NH2+][C@@H]([C@H]2CCCO2)C1 ZINC000912285265 664279881 /nfs/dbraw/zinc/27/98/81/664279881.db2.gz PLRCSZKKAYZICG-DJIMGWMZSA-N 1 0 381.314 2.655 20 0 GFADRO CN(Cc1cccc(Br)c1)C(=O)[C@@H]1CC[NH2+][C@H]([C@@H]2CCCO2)C1 ZINC000912342566 664282737 /nfs/dbraw/zinc/28/27/37/664282737.db2.gz IONAKXAKAFUYLB-PVAVHDDUSA-N 1 0 381.314 2.955 20 0 GFADRO COC(=O)C[C@H](NC(=O)[C@@H]1CC[NH2+][C@H](C)C1)c1ccc(Br)cc1 ZINC000912453999 664287301 /nfs/dbraw/zinc/28/73/01/664287301.db2.gz KQMKXLHUPCOLIH-KYOSRNDESA-N 1 0 383.286 2.558 20 0 GFADRO [NH3+]CCCn1ccc(C(=O)N2CCC[C@@H]2c2cccc(Br)c2)n1 ZINC000912463472 664288195 /nfs/dbraw/zinc/28/81/95/664288195.db2.gz MGGBHPNMCJFBMY-MRXNPFEDSA-N 1 0 377.286 2.972 20 0 GFADRO Cc1c(Br)cccc1C(=O)N1CCC(CO)([NH2+]CC(C)C)CC1 ZINC000912587875 664293898 /nfs/dbraw/zinc/29/38/98/664293898.db2.gz GQEVXPLKRPUYGM-UHFFFAOYSA-N 1 0 383.330 2.970 20 0 GFADRO C[C@H]1CCC[C@@H](CC[NH+](C)C)N1C(=O)c1c(Br)nc2n1CCC2 ZINC000912647959 664295931 /nfs/dbraw/zinc/29/59/31/664295931.db2.gz CALSENMSTZMJLG-STQMWFEESA-N 1 0 383.334 2.927 20 0 GFADRO O=C(COCCc1ccc(Br)cc1)N1CCC([NH+]2CCC2)CC1 ZINC000912885690 664307258 /nfs/dbraw/zinc/30/72/58/664307258.db2.gz ZNPVBWGTHFEQJJ-UHFFFAOYSA-N 1 0 381.314 2.705 20 0 GFADRO O=C(c1cc(=O)[nH]c2ccc(Br)cc21)N1CC[C@H]([NH+]2CCC2)C1 ZINC000912916780 664309933 /nfs/dbraw/zinc/30/99/33/664309933.db2.gz SFPMHSUZQZBHMF-LBPRGKRZSA-N 1 0 376.254 2.623 20 0 GFADRO O=C(N1CC[C@H]([NH+]2CCC2)C1)C1(c2ccc(Br)cc2)CCOCC1 ZINC000912918148 664310219 /nfs/dbraw/zinc/31/02/19/664310219.db2.gz VZTHQXJHVXUACO-KRWDZBQOSA-N 1 0 393.325 2.804 20 0 GFADRO COc1nsc(CNC(=O)c2cccc(C[NH+](C)C)c2)c1Br ZINC000912944605 664311403 /nfs/dbraw/zinc/31/14/03/664311403.db2.gz FRXVPXWUJSTATH-UHFFFAOYSA-N 1 0 384.299 2.906 20 0 GFADRO COc1cc(C(=O)N2C[C@@]3(C)C[NH+](C)C[C@]3(C)C2)cc(Br)c1OC ZINC000913279596 664330947 /nfs/dbraw/zinc/33/09/47/664330947.db2.gz UEJPWIUSZQJEKH-QZTJIDSGSA-N 1 0 397.313 2.880 20 0 GFADRO Cc1nc(CC(F)(F)F)sc1CC(=O)N1C[C@]2(C)C[N@@H+](C)C[C@]2(C)C1 ZINC000913275920 664330974 /nfs/dbraw/zinc/33/09/74/664330974.db2.gz WVUCOUFEEVJODX-IYBDPMFKSA-N 1 0 375.460 2.899 20 0 GFADRO COc1cc(C(=O)N2C[C@]3(C)C[NH+](C)C[C@@]3(C)C2)cc(Br)c1OC ZINC000913279597 664331059 /nfs/dbraw/zinc/33/10/59/664331059.db2.gz UEJPWIUSZQJEKH-ROUUACIJSA-N 1 0 397.313 2.880 20 0 GFADRO C[NH+]1C[C@]2(C)CN(C(=O)c3cc(Br)cc4nc[nH]c43)C[C@@]2(C)C1 ZINC000913278751 664331061 /nfs/dbraw/zinc/33/10/61/664331061.db2.gz KNKUXXVLRGTAQR-IAGOWNOFSA-N 1 0 377.286 2.739 20 0 GFADRO CCc1c(C(=O)NC23CC[NH+](CC2)C3)cnn1-c1ccc(Br)cc1 ZINC000913627403 664346675 /nfs/dbraw/zinc/34/66/75/664346675.db2.gz JABJUSHKDFXNHL-UHFFFAOYSA-N 1 0 389.297 2.775 20 0 GFADRO CC1([NH+]2CCCC2)CCN(C(=O)c2cc3ncc(Br)cn3n2)CC1 ZINC000913648121 664347520 /nfs/dbraw/zinc/34/75/20/664347520.db2.gz RRHWWPQXHNPEGG-UHFFFAOYSA-N 1 0 392.301 2.582 20 0 GFADRO C[NH+](C)CC1(O)CCN(C(=O)C(C)(C)c2ccccc2Br)CC1 ZINC000913676919 664348980 /nfs/dbraw/zinc/34/89/80/664348980.db2.gz RMNZVABDBKQROF-UHFFFAOYSA-N 1 0 383.330 2.642 20 0 GFADRO CC1CC[NH+](CCCNC(=O)N(C)Cc2ncc(Br)cn2)CC1 ZINC000913937273 664367306 /nfs/dbraw/zinc/36/73/06/664367306.db2.gz NINUPUVUGJWVPW-UHFFFAOYSA-N 1 0 384.322 2.503 20 0 GFADRO CC(C)CN(C1CC[NH+](C)CC1)S(=O)(=O)c1occc1Br ZINC000913958082 664368858 /nfs/dbraw/zinc/36/88/58/664368858.db2.gz CDCSCQQDDKVFPH-UHFFFAOYSA-N 1 0 379.320 2.783 20 0 GFADRO C[C@@H]1CCC[N@H+](CCNC(=O)N2CCC[C@@H]2c2ncc(Br)cn2)C1 ZINC000914076023 664374551 /nfs/dbraw/zinc/37/45/51/664374551.db2.gz OAJIBXBFHHEMQU-UKRRQHHQSA-N 1 0 396.333 2.818 20 0 GFADRO C[C@H](CNC(=O)N(C)Cc1ncc(Br)cn1)[N@@H+]1CCC[C@H](C)C1 ZINC000914075259 664374627 /nfs/dbraw/zinc/37/46/27/664374627.db2.gz VNWOGZTYPARJEU-QWHCGFSZSA-N 1 0 384.322 2.501 20 0 GFADRO CN(CCCC[NH+](C)C)S(=O)(=O)c1ccc2c(c1)CC(Cl)(Cl)C2=O ZINC000914225649 664388030 /nfs/dbraw/zinc/38/80/30/664388030.db2.gz RBUDAQOKAVWBAK-UHFFFAOYSA-N 1 0 393.336 2.562 20 0 GFADRO O=C(/C=C\c1ccc(I)o1)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000915746889 664439673 /nfs/dbraw/zinc/43/96/73/664439673.db2.gz TZYRIIWQQAPMFL-CZVUKNJHSA-N 1 0 386.233 2.640 20 0 GFADRO C[C@@H](CNC(=O)N1CCC[C@@H]1c1ncc(Br)cn1)[N@H+](C)C1CC1 ZINC000916850197 664472948 /nfs/dbraw/zinc/47/29/48/664472948.db2.gz CVYVESXNVFQCKZ-SMDDNHRTSA-N 1 0 382.306 2.568 20 0 GFADRO C[N@H+](CCNC(=O)N1CCC[C@H]1c1ncc(Br)cn1)C1CCCC1 ZINC000916971276 664474758 /nfs/dbraw/zinc/47/47/58/664474758.db2.gz DCCZZTRMLNOQSG-HNNXBMFYSA-N 1 0 396.333 2.960 20 0 GFADRO O=C(NCc1ccc(Br)cc1)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000917209600 664478338 /nfs/dbraw/zinc/47/83/38/664478338.db2.gz JBULKEJDIXLUQL-MRXNPFEDSA-N 1 0 382.302 2.502 20 0 GFADRO CC(C)[NH2+]C1(CO)CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1 ZINC000917528828 664485754 /nfs/dbraw/zinc/48/57/54/664485754.db2.gz WJMXNSDWMMBKGV-UHFFFAOYSA-N 1 0 381.325 2.507 20 0 GFADRO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2S(=O)(=O)Cc1ccsc1Br ZINC000919836333 664518623 /nfs/dbraw/zinc/51/86/23/664518623.db2.gz CAMSHEXPDZTXIH-NWDGAFQWSA-N 1 0 379.345 2.509 20 0 GFADRO CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NS(=O)(=O)c3sccc3Cl)C2)[C@@H]1C(C)C ZINC000920303996 664524592 /nfs/dbraw/zinc/52/45/92/664524592.db2.gz VVXFSQCTTJRBHX-HGTKMLMNSA-N 1 0 392.974 2.550 20 0 GFADRO Cn1ccnc1[C@@H](NC(=S)NC1CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000920307015 664524821 /nfs/dbraw/zinc/52/48/21/664524821.db2.gz DTNRAFILVVCAJO-INIZCTEOSA-N 1 0 377.945 2.721 20 0 GFADRO CC(C)[NH+](CCNC(=O)C1CCN(C(=O)[C@H]2CC2(Cl)Cl)CC1)C(C)C ZINC000921027791 664535773 /nfs/dbraw/zinc/53/57/73/664535773.db2.gz GNMNRBJHGLMQIC-OAHLLOKOSA-N 1 0 392.371 2.654 20 0 GFADRO CCO[C@@H](CNC(=O)N[C@@H](CC)c1nc(C(F)(F)F)cs1)C[NH+](C)C ZINC000921093986 664537171 /nfs/dbraw/zinc/53/71/71/664537171.db2.gz VPLHFLGQIHWBLF-QWRGUYRKSA-N 1 0 382.452 2.879 20 0 GFADRO C[NH+](C)CC[C@@H](NS(=O)(=O)C[C@@H]1CCCC(F)(F)C1)c1cccnc1 ZINC000921479164 664550008 /nfs/dbraw/zinc/55/00/08/664550008.db2.gz CKWZDCLQHUMSQM-GDBMZVCRSA-N 1 0 375.485 2.819 20 0 GFADRO COc1cc(S(=O)(=O)N[C@@H](CC[NH+](C)C)c2cccnc2)ccc1Cl ZINC000921479379 664550011 /nfs/dbraw/zinc/55/00/11/664550011.db2.gz IKEYSFGAGDGPQJ-INIZCTEOSA-N 1 0 383.901 2.715 20 0 GFADRO C[NH+](C)Cc1ccc(S(=O)(=O)NCC[C@H]2CC[C@@H](C(F)(F)F)O2)cc1 ZINC000921574888 664554258 /nfs/dbraw/zinc/55/42/58/664554258.db2.gz ONDZWSSJFRRCLT-HIFRSBDPSA-N 1 0 380.432 2.527 20 0 GFADRO CN(Cc1ncc(Br)cn1)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000921591311 664556499 /nfs/dbraw/zinc/55/64/99/664556499.db2.gz UXBLLVPCAWKYPM-UHFFFAOYSA-N 1 0 384.322 2.501 20 0 GFADRO CCn1c(C[NH2+]CC2CCOCC2)nc(Br)c1Br ZINC000921629855 664558384 /nfs/dbraw/zinc/55/83/84/664558384.db2.gz ACARCISLSGEBIV-UHFFFAOYSA-N 1 0 381.112 2.944 20 0 GFADRO CCn1c(Br)c(Br)nc1CN[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000921693310 664561133 /nfs/dbraw/zinc/56/11/33/664561133.db2.gz UTINMNAEIUXOHE-SECBINFHSA-N 1 0 392.139 2.754 20 0 GFADRO Cc1cnc(Cl)c(C[NH2+]CC2CCN(S(=O)(=O)C(F)(F)F)CC2)c1 ZINC000921728897 664564900 /nfs/dbraw/zinc/56/49/00/664564900.db2.gz GRCQRWAOLRQGKM-UHFFFAOYSA-N 1 0 385.839 2.695 20 0 GFADRO Cc1cnc(Cl)c(C[NH2+]C2CCN(S(=O)(=O)c3ccccc3)CC2)c1 ZINC000921801407 664569688 /nfs/dbraw/zinc/56/96/88/664569688.db2.gz RZOYHTDHSRVQTO-UHFFFAOYSA-N 1 0 379.913 2.986 20 0 GFADRO COc1cc(Br)cc(CNC(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)c1 ZINC000921882163 664574787 /nfs/dbraw/zinc/57/47/87/664574787.db2.gz YBLUHWFTPROAPP-LBPRGKRZSA-N 1 0 382.302 2.907 20 0 GFADRO Cc1cccc(C[NH2+]C[C@@H]2CC(=O)N(C)[C@H]2c2nccn2C)c1Br ZINC000922118482 664586622 /nfs/dbraw/zinc/58/66/22/664586622.db2.gz ABXQENNHWOJRIA-WMLDXEAASA-N 1 0 391.313 2.800 20 0 GFADRO Cc1nn(-c2cccc(Br)c2)cc1C[NH2+]CC[C@H]1CC(=O)N(C)C1 ZINC000922484375 664603501 /nfs/dbraw/zinc/60/35/01/664603501.db2.gz KARJNUYJLDXFQQ-AWEZNQCLSA-N 1 0 391.313 2.901 20 0 GFADRO CS(C)(=O)=NS(=O)(=O)CC[NH2+]Cc1ccc(-c2cccc(F)c2)s1 ZINC000922491860 664603736 /nfs/dbraw/zinc/60/37/36/664603736.db2.gz DWDLCYRRJSNYNW-UHFFFAOYSA-N 1 0 390.527 2.701 20 0 GFADRO CCCOc1c(Br)cc(C[NH2+]C2CC(CC(N)=O)C2)cc1OC ZINC000922513847 664605352 /nfs/dbraw/zinc/60/53/52/664605352.db2.gz ZGESOFYKEWMVST-UHFFFAOYSA-N 1 0 385.302 2.990 20 0 GFADRO Brc1ccn2cc(C[NH2+][C@@H]3CCCN4CCSC[C@H]34)nc2c1 ZINC000922522222 664605542 /nfs/dbraw/zinc/60/55/42/664605542.db2.gz AVOHBTZLOSPVQL-HUUCEWRRSA-N 1 0 381.343 2.766 20 0 GFADRO CSC1(CNC(=O)N2CC[C@]3(CC(F)(F)C3(F)F)C2)CC[NH+](C)CC1 ZINC000922530032 664605974 /nfs/dbraw/zinc/60/59/74/664605974.db2.gz RRWDLFSPKUDFTO-ZDUSSCGKSA-N 1 0 383.455 2.890 20 0 GFADRO CO[C@@]1(C[NH2+]Cc2cn(-c3ccccc3Br)nn2)CCSC1 ZINC000922570843 664607330 /nfs/dbraw/zinc/60/73/30/664607330.db2.gz JYIRVWMSPJULLT-OAHLLOKOSA-N 1 0 383.315 2.642 20 0 GFADRO Cn1ncc(I)c1C[NH2+]CCc1cnc2ccccc2c1 ZINC000922706161 664611248 /nfs/dbraw/zinc/61/12/48/664611248.db2.gz QUPVEIJGPKSJGD-UHFFFAOYSA-N 1 0 392.244 2.905 20 0 GFADRO CC(C)(C[NH2+]Cc1cccc(F)c1I)CS(C)(=O)=O ZINC000922734996 664612570 /nfs/dbraw/zinc/61/25/70/664612570.db2.gz WGBYZIAGQJHAKT-UHFFFAOYSA-N 1 0 399.269 2.591 20 0 GFADRO CC(C)(C[NH2+]Cc1ccc(I)s1)CS(C)(=O)=O ZINC000922736067 664612849 /nfs/dbraw/zinc/61/28/49/664612849.db2.gz BNBCONXSIWRCHD-UHFFFAOYSA-N 1 0 387.308 2.513 20 0 GFADRO CC(C)(C)OC(=O)Nc1ncc(C[NH2+]CC(C)(C)CS(C)(=O)=O)s1 ZINC000922739268 664613024 /nfs/dbraw/zinc/61/30/24/664613024.db2.gz GYOGWMAUROMCCT-UHFFFAOYSA-N 1 0 377.532 2.651 20 0 GFADRO COc1cc(OC)c(OC)cc1C[NH2+]CC1(n2cc(Br)cn2)CC1 ZINC000922803874 664615070 /nfs/dbraw/zinc/61/50/70/664615070.db2.gz JINPZMGJGVHRDV-UHFFFAOYSA-N 1 0 396.285 2.950 20 0 GFADRO CS(=O)(=O)C[C@@H](O)C[NH2+]Cc1ccc(-c2ccccc2Br)cc1 ZINC000922822927 664615539 /nfs/dbraw/zinc/61/55/39/664615539.db2.gz KMRAYHDNHHJPLI-HNNXBMFYSA-N 1 0 398.322 2.611 20 0 GFADRO Cn1ncc(I)c1C[NH2+][C@@H]1CCSC2(CCC2)C1 ZINC000922842084 664616269 /nfs/dbraw/zinc/61/62/69/664616269.db2.gz GMTILOZCTCKYFS-SNVBAGLBSA-N 1 0 377.295 2.933 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+][C@@H]2CCCc3cccnc32)cc1Br ZINC000922876353 664617271 /nfs/dbraw/zinc/61/72/71/664617271.db2.gz XBZDLFYXFUBIKH-CQSZACIVSA-N 1 0 396.310 2.659 20 0 GFADRO O=C(Cc1cscc1Br)N1CCC([NH2+]C2CCOCC2)CC1 ZINC000922883714 664617477 /nfs/dbraw/zinc/61/74/77/664617477.db2.gz KAMBPKVVMDIACK-UHFFFAOYSA-N 1 0 387.343 2.813 20 0 GFADRO Brc1cc2c(c(C[NH2+]C[C@@H]3CCN3C3CCOCC3)c1)OCC2 ZINC000922956351 664620002 /nfs/dbraw/zinc/62/00/02/664620002.db2.gz ZDBOBQGEPBLJTM-KRWDZBQOSA-N 1 0 381.314 2.727 20 0 GFADRO O=C(CCCC[NH+]1CCCC1)Nc1cc(Br)cc2c1NC(=O)CO2 ZINC000923017172 664621202 /nfs/dbraw/zinc/62/12/02/664621202.db2.gz CYCBCHNEENFASG-UHFFFAOYSA-N 1 0 396.285 2.985 20 0 GFADRO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)c1cc(Br)cnc1OCC1CC1 ZINC000923267177 664627102 /nfs/dbraw/zinc/62/71/02/664627102.db2.gz VTFSUPNWNNTGAP-LSDHHAIUSA-N 1 0 394.313 2.942 20 0 GFADRO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(I)c(F)c1 ZINC000923290306 664627615 /nfs/dbraw/zinc/62/76/15/664627615.db2.gz GILRLAAAYWEWAV-NWDGAFQWSA-N 1 0 388.224 2.739 20 0 GFADRO CCC[N@@H+]1CC[C@H](NC(=O)N2CCC[C@@H]2c2ncc(Br)cn2)C1 ZINC000923318055 664628128 /nfs/dbraw/zinc/62/81/28/664628128.db2.gz DAQTVPPXRMLOTR-UONOGXRCSA-N 1 0 382.306 2.570 20 0 GFADRO CC(C)(C)[C@H](CN)[NH2+]C[C@H](O)COc1ccc(Cl)cc1Br ZINC000923371589 664629105 /nfs/dbraw/zinc/62/91/05/664629105.db2.gz ZFQJITYYNQOIPI-FZMZJTMJSA-N 1 0 379.726 2.805 20 0 GFADRO Clc1ncsc1CN1CC[NH2+]CCN(Cc2scnc2Cl)CC1 ZINC000923393904 664629516 /nfs/dbraw/zinc/62/95/16/664629516.db2.gz AWISCIXKJMSCNG-UHFFFAOYSA-N 1 0 392.381 2.814 20 0 GFADRO Cc1ccc(Cl)c(OC[C@H](O)CN2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1 ZINC000923400261 664629867 /nfs/dbraw/zinc/62/98/67/664629867.db2.gz ABMNAGIVSRSEPO-BFHYXJOUSA-N 1 0 380.838 2.847 20 0 GFADRO Cc1ccc(NC(=O)CN2CCC3(CO[C@@H](C[NH3+])C3)CC2)c(Br)c1 ZINC000923459083 664630905 /nfs/dbraw/zinc/63/09/05/664630905.db2.gz ZGQDYFNMYJENGE-CQSZACIVSA-N 1 0 396.329 2.526 20 0 GFADRO Cc1nn(CC(C)C)c(Cl)c1[C@@H]1CCCN1S(=O)(=O)[C@H]1CCC[NH2+]C1 ZINC000923628975 664634788 /nfs/dbraw/zinc/63/47/88/664634788.db2.gz RIBPNAXXGLOSPX-GJZGRUSLSA-N 1 0 388.965 2.720 20 0 GFADRO Cc1nn(CC(C)C)c(Cl)c1[C@H]1CCCN1S(=O)(=O)[C@@H]1CCC[NH2+]C1 ZINC000923628977 664634800 /nfs/dbraw/zinc/63/48/00/664634800.db2.gz RIBPNAXXGLOSPX-HUUCEWRRSA-N 1 0 388.965 2.720 20 0 GFADRO Cc1csc(C)c1S(=O)(=O)N(Cc1scnc1C)C[C@H]1CC[NH2+]C1 ZINC000923648391 664634988 /nfs/dbraw/zinc/63/49/88/664634988.db2.gz YAOMMUZCKAEVQW-AWEZNQCLSA-N 1 0 385.580 2.930 20 0 GFADRO COc1cc(C(C)C)c(S(=O)(=O)NC[C@@H]2C[NH2+]CCC2(F)F)cc1C ZINC000923674463 664635301 /nfs/dbraw/zinc/63/53/01/664635301.db2.gz PWKUYUDQKQVFTP-ZDUSSCGKSA-N 1 0 376.469 2.650 20 0 GFADRO O=S(=O)(Cc1cc(F)ccc1Br)NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC000923678157 664635452 /nfs/dbraw/zinc/63/54/52/664635452.db2.gz HMUBRRMUDCXOCA-HUUCEWRRSA-N 1 0 391.306 2.540 20 0 GFADRO C[C@H](OC(=O)COC1CC[NH+](C)CC1)C(=O)Nc1cc(Cl)ccc1Cl ZINC000923795505 664638102 /nfs/dbraw/zinc/63/81/02/664638102.db2.gz OSAXEHPRAORPRL-NSHDSACASA-N 1 0 389.279 2.974 20 0 GFADRO CCC1([NH+]2CCC2)CCN(C(=O)[C@@H](O)c2cccc(Br)c2)CC1 ZINC000924374200 664654263 /nfs/dbraw/zinc/65/42/63/664654263.db2.gz RKQKWECNLUKFQE-INIZCTEOSA-N 1 0 381.314 2.959 20 0 GFADRO C[C@@H]([NH2+]Cc1ccc(OC(F)(F)F)cc1)C1CCN(S(C)(=O)=O)CC1 ZINC000924591655 664658719 /nfs/dbraw/zinc/65/87/19/664658719.db2.gz NUHAYNNDWZPQAY-GFCCVEGCSA-N 1 0 380.432 2.735 20 0 GFADRO C[C@@H]([NH2+]Cc1ccccc1OC(F)(F)F)C1CCN(S(C)(=O)=O)CC1 ZINC000924590292 664658723 /nfs/dbraw/zinc/65/87/23/664658723.db2.gz PCVZCOMIKZUMPS-GFCCVEGCSA-N 1 0 380.432 2.735 20 0 GFADRO CN(C)c1cc[nH+]c(CNC(=O)NC[C@H](O)c2ccc(Cl)cc2Cl)c1 ZINC000924654176 664659192 /nfs/dbraw/zinc/65/91/92/664659192.db2.gz GCYYQPWPAKTQKH-INIZCTEOSA-N 1 0 383.279 2.987 20 0 GFADRO C[C@@H]([NH2+]CCc1ccc(OCC(=O)NC2CC2)cc1)C1(Br)CC1 ZINC000924720073 664660250 /nfs/dbraw/zinc/66/02/50/664660250.db2.gz CVBFTDFZDWZQOC-CYBMUJFWSA-N 1 0 381.314 2.792 20 0 GFADRO C[C@H]([NH2+]CCc1ccccc1C(F)(F)F)C1CCN(S(C)(=O)=O)CC1 ZINC000924743495 664660674 /nfs/dbraw/zinc/66/06/74/664660674.db2.gz QOXCKPNKDHSWIA-ZDUSSCGKSA-N 1 0 378.460 2.898 20 0 GFADRO CSC[C@H]1NC(=O)N(C[C@@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)C1=O ZINC000924768845 664661382 /nfs/dbraw/zinc/66/13/82/664661382.db2.gz HUWCGGWYKBCIJB-OLZOCXBDSA-N 1 0 375.416 2.592 20 0 GFADRO C[C@H](NC[C@H]1C[N@H+](C)CCN1C)C(F)(F)c1ccc(Br)cc1 ZINC000925033521 664665611 /nfs/dbraw/zinc/66/56/11/664665611.db2.gz VZGDGTPLGSLNBZ-WFASDCNBSA-N 1 0 376.289 2.765 20 0 GFADRO CC[N@@H+]1CC[C@H]1CN1C(=O)CN([C@H](C)c2cccc(Br)c2)C1=O ZINC000925095479 664666838 /nfs/dbraw/zinc/66/68/38/664666838.db2.gz IQKSOBRRCDXICX-DOMZBBRYSA-N 1 0 380.286 2.869 20 0 GFADRO Cc1cnc(C2CCN(C(=O)N[C@H]3CCC[N@@H+]4CCSC[C@H]34)CC2)s1 ZINC000925158840 664667647 /nfs/dbraw/zinc/66/76/47/664667647.db2.gz BGXBEVANMFXIIR-JKSUJKDBSA-N 1 0 380.583 2.920 20 0 GFADRO CC(C)(CO)[C@H](NC(=O)N[C@H]1CCC[N@@H+]2CCSC[C@H]12)c1cccs1 ZINC000925175351 664668012 /nfs/dbraw/zinc/66/80/12/664668012.db2.gz VHBJCOMVFYSVDW-SQWLQELKSA-N 1 0 383.583 2.687 20 0 GFADRO O=C1NCC2(CCOCC2)[C@@H]1[NH2+]CCOc1c(Cl)cc(Cl)cc1Cl ZINC000925229345 664669156 /nfs/dbraw/zinc/66/91/56/664669156.db2.gz NABHJSDKWUNAPD-CQSZACIVSA-N 1 0 393.698 2.910 20 0 GFADRO C[N@@H+]1CCC[C@@H](N2C(=O)N[C@@H](c3ccc(Br)c(Cl)c3)C2=O)C1 ZINC000925290856 664669965 /nfs/dbraw/zinc/66/99/65/664669965.db2.gz FLDSGBKAOOSPOG-MFKMUULPSA-N 1 0 386.677 2.790 20 0 GFADRO CN(CC[NH2+][C@H]1CCC[C@@H]1Cc1ccccn1)S(=O)(=O)c1cccs1 ZINC000925577500 664673290 /nfs/dbraw/zinc/67/32/90/664673290.db2.gz SHUSKIAAGLHLTQ-WBVHZDCISA-N 1 0 379.551 2.765 20 0 GFADRO C[C@H](N[C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23)c1ccc(Br)cc1OCCCO ZINC000925674853 664673964 /nfs/dbraw/zinc/67/39/64/664673964.db2.gz DEVWNADSOTUHEB-CBFJUSMUSA-N 1 0 395.341 2.857 20 0 GFADRO CCc1nnc2n1C[C@H]([NH2+][C@H]1CCCc3ncc(Br)cc31)CC2 ZINC000925783180 664674562 /nfs/dbraw/zinc/67/45/62/664674562.db2.gz MWFJQWZHUCMURH-DOMZBBRYSA-N 1 0 376.302 2.980 20 0 GFADRO Cc1nc(-c2cc([C@H](C)[NH2+]CC[C@@H]3CNCCS3(=O)=O)cs2)cs1 ZINC000925790667 664674759 /nfs/dbraw/zinc/67/47/59/664674759.db2.gz CCEDBTRIJXGNKZ-SMDDNHRTSA-N 1 0 385.580 2.607 20 0 GFADRO COCCOc1c(Cl)cccc1NC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000925987643 664678736 /nfs/dbraw/zinc/67/87/36/664678736.db2.gz JBJXKSMINOVADV-MWLCHTKSSA-N 1 0 381.782 2.719 20 0 GFADRO COC(=O)c1cc(Cl)ccc1NC(=O)N1CC[C@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000926079154 664681152 /nfs/dbraw/zinc/68/11/52/664681152.db2.gz OEWNCFRHIDMBPP-WDEREUQCSA-N 1 0 379.766 2.870 20 0 GFADRO CC1(C)CN(C(=O)Nc2ccnn2Cc2cccc(Br)c2)C[C@H]1[NH3+] ZINC000926098716 664681716 /nfs/dbraw/zinc/68/17/16/664681716.db2.gz AHHYORQQSGHHGQ-CQSZACIVSA-N 1 0 392.301 2.895 20 0 GFADRO [NH3+][C@@]1(CO)CCCN(C(=O)N[C@@H](c2ccc(F)c(Cl)c2)C(F)(F)F)C1 ZINC000926107880 664681961 /nfs/dbraw/zinc/68/19/61/664681961.db2.gz WHHLSFHGDYIZAD-JSGCOSHPSA-N 1 0 383.773 2.578 20 0 GFADRO CNC(=O)c1cccc(NC(=O)N2CC[C@]3(C2)CCCC[NH2+]3)c1Br ZINC000926116201 664682254 /nfs/dbraw/zinc/68/22/54/664682254.db2.gz POLXWHURLXSHOY-KRWDZBQOSA-N 1 0 395.301 2.559 20 0 GFADRO Cc1ncc(Br)cc1NC(=O)N1CC[C@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000926131971 664682513 /nfs/dbraw/zinc/68/25/13/664682513.db2.gz CSCGGRXCUQAGRZ-VHSXEESVSA-N 1 0 381.196 2.896 20 0 GFADRO [NH3+]C[C@@H](NC(=O)N1CCC[C@H]1c1cncc(Br)c1)C(F)(F)F ZINC000926169978 664683588 /nfs/dbraw/zinc/68/35/88/664683588.db2.gz QKDAHFFZSLIRCM-WDEREUQCSA-N 1 0 381.196 2.580 20 0 GFADRO [NH3+]C[C@@H]1CCN(C(=O)Nc2ccc(I)c(Cl)c2)C1 ZINC000926219499 664684836 /nfs/dbraw/zinc/68/48/36/664684836.db2.gz PKLQJCYWKNEIRU-QMMMGPOBSA-N 1 0 379.629 2.757 20 0 GFADRO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NC(=O)c3occc3Br)C2)[C@@H]1C(C)C ZINC000926245864 664685338 /nfs/dbraw/zinc/68/53/38/664685338.db2.gz AZIBEYJGYNOVBL-LGWLGOQQSA-N 1 0 385.302 2.642 20 0 GFADRO OC[C@H](C[NH2+][C@H]1CCOC12CCOCC2)Cc1ccccc1Br ZINC000926283144 664686193 /nfs/dbraw/zinc/68/61/93/664686193.db2.gz FXDNEWUGLQQRCY-YOEHRIQHSA-N 1 0 384.314 2.528 20 0 GFADRO COc1cc(Br)cc(CNC(=O)N(C)[C@H]2CC[N@H+](C)C[C@@H]2C)c1 ZINC000926288126 664686506 /nfs/dbraw/zinc/68/65/06/664686506.db2.gz ZTRXRHMHCUEBCM-LRDDRELGSA-N 1 0 384.318 2.939 20 0 GFADRO C[C@@H]([NH2+]Cc1ccc(OC(F)F)c(F)c1)C1CCN(S(C)(=O)=O)CC1 ZINC000926488629 664690693 /nfs/dbraw/zinc/69/06/93/664690693.db2.gz ICGFTDZZYQLZCA-LLVKDONJSA-N 1 0 380.432 2.577 20 0 GFADRO Cc1ccc(C[C@H](CO)C[NH2+][C@@H](C)c2cc(CO)on2)cc1Br ZINC000926537193 664691784 /nfs/dbraw/zinc/69/17/84/664691784.db2.gz FRPIODWKOOMCKJ-JSGCOSHPSA-N 1 0 383.286 2.740 20 0 GFADRO C[C@H](NCc1nn(C)cc1I)c1cccc(C[NH+](C)C)c1 ZINC000926541330 664691944 /nfs/dbraw/zinc/69/19/44/664691944.db2.gz OECTXVDHVWTCSZ-LBPRGKRZSA-N 1 0 398.292 2.937 20 0 GFADRO C[C@@H]([NH2+]C[C@@H]1CN(C(=O)OC(C)(C)C)CCCO1)C1(Br)CC1 ZINC000926546638 664692358 /nfs/dbraw/zinc/69/23/58/664692358.db2.gz VSEGAKJXXHUTQE-CHWSQXEVSA-N 1 0 377.323 2.918 20 0 GFADRO C[C@H]([NH2+]CC(C)(C)[C@H]1COCC12OCCO2)c1cccc(Br)n1 ZINC000926570211 664692554 /nfs/dbraw/zinc/69/25/54/664692554.db2.gz MVXCFLQBVKBUBY-GXTWGEPZSA-N 1 0 385.302 2.910 20 0 GFADRO C[C@@H]([NH2+]CCNC(=O)c1ccc(Br)cn1)c1ccnn1C1CCC1 ZINC000926684201 664695254 /nfs/dbraw/zinc/69/52/54/664695254.db2.gz XWYJFLJENAIKMM-GFCCVEGCSA-N 1 0 392.301 2.846 20 0 GFADRO Brc1cnc2c(c1)[C@H]([NH2+]Cc1ccnc(-n3cncn3)c1)CCC2 ZINC000926781483 664696473 /nfs/dbraw/zinc/69/64/73/664696473.db2.gz IGWAEWSBCDYJGG-OAHLLOKOSA-N 1 0 385.269 2.987 20 0 GFADRO CN(Cc1ncc(Br)cn1)C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC000926971433 664700009 /nfs/dbraw/zinc/70/00/09/664700009.db2.gz BCQCKWLAFOGKLW-UHFFFAOYSA-N 1 0 377.286 2.615 20 0 GFADRO C[C@@H](CCc1ccc(I)cc1)[NH2+]CC[C@@H]1CNC(=O)C1 ZINC000926977729 664700751 /nfs/dbraw/zinc/70/07/51/664700751.db2.gz FQPPKRKVUVYDDM-JSGCOSHPSA-N 1 0 386.277 2.728 20 0 GFADRO C[C@@H](CC(=O)N1CCCCCC1)[NH2+]CC1(n2cc(Br)cn2)CC1 ZINC000927009323 664702232 /nfs/dbraw/zinc/70/22/32/664702232.db2.gz ZLBYDGZGDCHDCD-AWEZNQCLSA-N 1 0 383.334 2.906 20 0 GFADRO C[NH+](C)CCC1CCN(C(=O)NCC2(n3cc(Br)cn3)CC2)CC1 ZINC000927099159 664703725 /nfs/dbraw/zinc/70/37/25/664703725.db2.gz ABSSDZVFKBACKW-UHFFFAOYSA-N 1 0 398.349 2.508 20 0 GFADRO Cn1nnc2c1C[C@@H]([NH2+][C@H]1CCc3ccc(I)cc31)CC2 ZINC000927143641 664705120 /nfs/dbraw/zinc/70/51/20/664705120.db2.gz OXSSRFFYQRVFMD-JSGCOSHPSA-N 1 0 394.260 2.554 20 0 GFADRO Brc1cnc(C2(NC3CC[NH+](C[C@H]4CCCO4)CC3)CCC2)nc1 ZINC000927148434 664705305 /nfs/dbraw/zinc/70/53/05/664705305.db2.gz UNEALINDKKGENQ-MRXNPFEDSA-N 1 0 395.345 2.851 20 0 GFADRO C[C@H]([NH2+][C@@H]1C[C@H](O)C12CCOCC2)c1ccccc1I ZINC000927165310 664705430 /nfs/dbraw/zinc/70/54/30/664705430.db2.gz UJZZPXMTQARCFX-GLQYFDAESA-N 1 0 387.261 2.872 20 0 GFADRO [NH3+][C@@H]1CC[C@H](CNC(=O)C(=O)Nc2ccc(Br)c3ccccc23)C1 ZINC000927926989 664717910 /nfs/dbraw/zinc/71/79/10/664717910.db2.gz JWZRLYJXFXOXRT-NWDGAFQWSA-N 1 0 390.281 2.784 20 0 GFADRO O=C(Cc1cn2cc(Cl)cc(Cl)c2n1)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000928089962 664722470 /nfs/dbraw/zinc/72/24/70/664722470.db2.gz GUXVEXXNXTZRGI-CABCVRRESA-N 1 0 399.347 2.880 20 0 GFADRO Cc1oc(-c2ccsc2)nc1CC(=O)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000928089952 664722520 /nfs/dbraw/zinc/72/25/20/664722520.db2.gz GRDNDEMKVNNMNR-HOCLYGCPSA-N 1 0 377.535 2.950 20 0 GFADRO COCCOc1ccc(C(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@H]23)c(Cl)c1 ZINC000928089807 664722540 /nfs/dbraw/zinc/72/25/40/664722540.db2.gz KXDJLYUODJJZKA-IAGOWNOFSA-N 1 0 384.929 2.675 20 0 GFADRO Cc1c(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2C)cnn1-c1cccc(Br)c1 ZINC000928436748 664732423 /nfs/dbraw/zinc/73/24/23/664732423.db2.gz ACAWQFDNHOHZAO-BLLLJJGKSA-N 1 0 377.286 2.766 20 0 GFADRO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)N[C@@H]1CC[N@H+](C)[C@H]1C ZINC000928444382 664732578 /nfs/dbraw/zinc/73/25/78/664732578.db2.gz YVKAJWFGXMQQME-GXFFZTMASA-N 1 0 379.254 2.686 20 0 GFADRO Cc1cc(COc2ccc(C(=O)NC[C@H]3CC[N@H+]3C)cc2Br)no1 ZINC000928561445 664735150 /nfs/dbraw/zinc/73/51/50/664735150.db2.gz GUHRJGZRYLNVHZ-CQSZACIVSA-N 1 0 394.269 2.758 20 0 GFADRO C[NH+](C)CC[C@@H](NC(=O)c1nc(Br)ccc1F)c1cccnc1 ZINC000928834028 664740655 /nfs/dbraw/zinc/74/06/55/664740655.db2.gz RLAXTHODSQMFPH-CYBMUJFWSA-N 1 0 381.249 2.801 20 0 GFADRO CCc1n[nH]c(C(=O)N[C@@H](CC[NH+](C)C)c2cccnc2)c1Br ZINC000928833155 664740657 /nfs/dbraw/zinc/74/06/57/664740657.db2.gz OVLADHIZLXWWOA-ZDUSSCGKSA-N 1 0 380.290 2.552 20 0 GFADRO C[C@@H](CC(=O)N[C@H](CC[NH+](C)C)c1cccnc1)n1cc(Br)cn1 ZINC000928831938 664740660 /nfs/dbraw/zinc/74/06/60/664740660.db2.gz PMCMSUAIVLNUTH-XJKSGUPXSA-N 1 0 394.317 2.801 20 0 GFADRO CN(C(=O)c1cccc(N2CC[NH+](C)CC2)n1)c1ccc(Br)cc1 ZINC000928922008 664741804 /nfs/dbraw/zinc/74/18/04/664741804.db2.gz GQDSZJPEUUOWQY-UHFFFAOYSA-N 1 0 389.297 2.873 20 0 GFADRO CC(C)(C)NS(=O)(=O)C1([C@H](O)C[N@@H+]2CCC[C@@H]2c2cccs2)CCC1 ZINC000929130598 664746841 /nfs/dbraw/zinc/74/68/41/664746841.db2.gz CGHQPNHQXAZVNZ-GDBMZVCRSA-N 1 0 386.583 2.887 20 0 GFADRO Cc1[nH]nc(Br)c1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1C ZINC000929346979 664750872 /nfs/dbraw/zinc/75/08/72/664750872.db2.gz AAIOJDPDPWJKBM-UHFFFAOYSA-N 1 0 392.301 2.793 20 0 GFADRO CC1(C)CC(NC(=O)c2cc(Br)cn3ncnc23)CC(C)(C)[NH2+]1 ZINC000929683444 664755938 /nfs/dbraw/zinc/75/59/38/664755938.db2.gz RZIHYSGHMCCFBK-UHFFFAOYSA-N 1 0 380.290 2.531 20 0 GFADRO COCCOC[C@H]1CC[N@H+](Cc2cc(C(=O)OC)ccc2Br)C1 ZINC000929733830 664756659 /nfs/dbraw/zinc/75/66/59/664756659.db2.gz ZTZRYHVMTZGZAP-ZDUSSCGKSA-N 1 0 386.286 2.721 20 0 GFADRO COC(=O)c1cc(Br)c(C[N@@H+]2CC[C@]3(CCOC3)C2)cc1OC ZINC000929828559 664758245 /nfs/dbraw/zinc/75/82/45/664758245.db2.gz YCKDTXLSDZITNO-KRWDZBQOSA-N 1 0 384.270 2.857 20 0 GFADRO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(Cc2cccc(F)c2Br)CC1 ZINC000930073221 664762171 /nfs/dbraw/zinc/76/21/71/664762171.db2.gz XHNUFZLDMKYMJS-OAHLLOKOSA-N 1 0 384.293 2.502 20 0 GFADRO COC(=O)c1cc(Br)c(C[N@@H+]2CCC[C@](C)(O)CC2)cc1OC ZINC000930278261 664765881 /nfs/dbraw/zinc/76/58/81/664765881.db2.gz JHJNBCPCGKABPV-KRWDZBQOSA-N 1 0 386.286 2.981 20 0 GFADRO CC[N@@H+]1CC[C@H](CNC(=O)c2cc(Br)cnc2Br)C1 ZINC000930370156 664768468 /nfs/dbraw/zinc/76/84/68/664768468.db2.gz ZSAZSGGIHQYOJI-SECBINFHSA-N 1 0 391.107 2.678 20 0 GFADRO C[NH+]1CCC(OCC(=O)N2C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)CC1 ZINC000930455021 664771067 /nfs/dbraw/zinc/77/10/67/664771067.db2.gz GJKWKMMRKZEIMZ-PHIMTYICSA-N 1 0 376.341 2.687 20 0 GFADRO CC[N@H+](C)Cc1cccc(CNC(=O)c2cc(=O)[nH]cc2Br)c1 ZINC000930496882 664771829 /nfs/dbraw/zinc/77/18/29/664771829.db2.gz HVSUXMCDPUICRX-UHFFFAOYSA-N 1 0 378.270 2.931 20 0 GFADRO C[N@@H+]1C[C@@H]2CCN(C(=O)Nc3cnn(-c4ccccc4Br)c3)[C@@H]2C1 ZINC000930548868 664772720 /nfs/dbraw/zinc/77/27/20/664772720.db2.gz MWUAGDLGPKUHQY-BLLLJJGKSA-N 1 0 390.285 2.803 20 0 GFADRO C[C@@H]1CC[C@H](C(N)=O)[C@H](C)[N@@H+]1CCC(=O)Nc1ccccc1Br ZINC000930910604 664780791 /nfs/dbraw/zinc/78/07/91/664780791.db2.gz ZIQHVIKCEARMAC-AGIUHOORSA-N 1 0 382.302 2.752 20 0 GFADRO CCOCCOCC[N@@H+]1CC[C@@]2(C)[C@@H](C1)C2(Br)Br ZINC000930926578 664781039 /nfs/dbraw/zinc/78/10/39/664781039.db2.gz XLTJYYSJVXDTQW-NEPJUHHUSA-N 1 0 385.140 2.867 20 0 GFADRO C[C@@H]1[C@H]([NH+](C)C)CCN1Cc1noc(Cc2ccc(Br)cc2)n1 ZINC000931041934 664783808 /nfs/dbraw/zinc/78/38/08/664783808.db2.gz JCTTXGSYULJJRD-IUODEOHRSA-N 1 0 379.302 2.947 20 0 GFADRO Cc1cc(F)c(Br)cc1NC(=O)N1CCN(C)CC[N@@H+](C)CC1 ZINC000931053640 664784185 /nfs/dbraw/zinc/78/41/85/664784185.db2.gz XUJIYBRVNAJUAD-UHFFFAOYSA-N 1 0 387.297 2.608 20 0 GFADRO COC(=O)c1cc(Br)c(C[N@@H+]2CC[C@H]3COC[C@@H]3C2)cc1OC ZINC000931058936 664784227 /nfs/dbraw/zinc/78/42/27/664784227.db2.gz GNWSYTUZZISVEK-AAEUAGOBSA-N 1 0 384.270 2.713 20 0 GFADRO COC(=O)c1cc(Br)c(CN2C[C@H](C)[C@](C)(CO)C2)cc1OC ZINC000931067469 664784438 /nfs/dbraw/zinc/78/44/38/664784438.db2.gz ULUXJDRCILYVME-GTNSWQLSSA-N 1 0 386.286 2.695 20 0 GFADRO C[C@@H]1C[C@@H](c2ccc(Br)cc2)C[N@@H+]1C[C@H](O)C1(O)CCOCC1 ZINC000931265917 664789821 /nfs/dbraw/zinc/78/98/21/664789821.db2.gz JDWSAUFMLOKJON-UNEWFSDZSA-N 1 0 384.314 2.529 20 0 GFADRO COc1ncc(Br)cc1CN1CCC([N@@H+]2CCCOCC2)CC1 ZINC000931285245 664790489 /nfs/dbraw/zinc/79/04/89/664790489.db2.gz KBVURNRHWNMUOL-UHFFFAOYSA-N 1 0 384.318 2.539 20 0 GFADRO COc1c(C)[nH]cc(C[N@H+](C)C[C@@H](O)c2ccc(F)c(Br)c2)c1=O ZINC000931325865 664791891 /nfs/dbraw/zinc/79/18/91/664791891.db2.gz VGUNSARHNKYTJT-OAHLLOKOSA-N 1 0 399.260 2.759 20 0 GFADRO CC(=O)N1CCC([N@H+](C)C[C@@H](O)COc2cc(Cl)cc(Cl)c2)CC1 ZINC000931380759 664793120 /nfs/dbraw/zinc/79/31/20/664793120.db2.gz QGXUGPQLRQENRF-MRXNPFEDSA-N 1 0 375.296 2.676 20 0 GFADRO C[N@@H+]1C[C@H]2CCN(C(=O)Nc3ccc4nccnc4c3Br)[C@@H]2C1 ZINC000931390403 664793579 /nfs/dbraw/zinc/79/35/79/664793579.db2.gz VCDLXLOBRHENFG-ZWNOBZJWSA-N 1 0 376.258 2.560 20 0 GFADRO C[NH+](C)CC1(O)CCN(CC(=O)Nc2cc(Cl)c(Cl)cc2Cl)CC1 ZINC000931484271 664796121 /nfs/dbraw/zinc/79/61/21/664796121.db2.gz RFVJHNQLGXONAR-UHFFFAOYSA-N 1 0 394.730 2.974 20 0 GFADRO Nc1cc[nH+]c2c1CN([C@@H]1CCc3cc(Br)ccc3NC1=O)CC2 ZINC000931516152 664797047 /nfs/dbraw/zinc/79/70/47/664797047.db2.gz IMJAIHAUEJCLIQ-QGZVFWFLSA-N 1 0 387.281 2.738 20 0 GFADRO O=C(Nc1nc(CC(F)(F)F)cs1)N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000931573163 664799068 /nfs/dbraw/zinc/79/90/68/664799068.db2.gz KBOQVTPUGSSRNC-WDEREUQCSA-N 1 0 380.461 2.949 20 0 GFADRO CCOC(=O)c1nc(NC(=O)NCC[N@H+](C)C(C)C)sc1C(F)(F)F ZINC000931596885 664800537 /nfs/dbraw/zinc/80/05/37/664800537.db2.gz NSEFFQBKZFAVDZ-UHFFFAOYSA-N 1 0 382.408 2.800 20 0 GFADRO O=C(Nc1ncc(C2CCOCC2)s1)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000931630886 664801066 /nfs/dbraw/zinc/80/10/66/664801066.db2.gz ZRKXGACLMPZTJD-ZIAGYGMSSA-N 1 0 382.555 2.738 20 0 GFADRO O=C(C[C@@H]1C(=O)Nc2ccc(Br)cc21)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000931653092 664801886 /nfs/dbraw/zinc/80/18/86/664801886.db2.gz SOWYEYMJJSNSQJ-ZFWWWQNUSA-N 1 0 392.297 2.572 20 0 GFADRO COC1(OC)CCOC[C@H]1[NH2+]CCCCOc1ccc(Br)cc1 ZINC000931677569 664802630 /nfs/dbraw/zinc/80/26/30/664802630.db2.gz SNMQORKKAYVLOC-MRXNPFEDSA-N 1 0 388.302 2.976 20 0 GFADRO COC[C@H]([NH2+]Cc1cc(C(=O)OC)ccc1Br)[C@H]1CCCOC1 ZINC000931754581 664804299 /nfs/dbraw/zinc/80/42/99/664804299.db2.gz HIERKQJUXVOGJS-BBRMVZONSA-N 1 0 386.286 2.767 20 0 GFADRO CC[N@H+](CCNC(=O)c1cc(Br)cnc1Br)C1CC1 ZINC000931836411 664805803 /nfs/dbraw/zinc/80/58/03/664805803.db2.gz YHCILZCRTJRQAK-UHFFFAOYSA-N 1 0 391.107 2.821 20 0 GFADRO COC(=O)c1ccc(CN2CC[C@H](c3noc(C)n3)C2)c(Br)c1 ZINC000931934814 664807441 /nfs/dbraw/zinc/80/74/41/664807441.db2.gz FUYAFSQBYGJVOU-ZDUSSCGKSA-N 1 0 380.242 2.917 20 0 GFADRO CN(CC1CC[NH+](C)CC1)C(=O)[C@@](C)(O)c1ccc(F)c(Br)c1 ZINC000931960958 664807996 /nfs/dbraw/zinc/80/79/96/664807996.db2.gz PODMLCBICFDOJD-KRWDZBQOSA-N 1 0 387.293 2.596 20 0 GFADRO C[C@]1([C@@H]2CCC[N@H+](C[C@@H](O)c3ccccc3Br)C2)COC(=O)N1 ZINC000932021768 664809014 /nfs/dbraw/zinc/80/90/14/664809014.db2.gz OMJTUWKLRNJQHD-SRCQZFHVSA-N 1 0 383.286 2.693 20 0 GFADRO CCOC(=O)[C@@H]1[C@@H]2CC[N@H+](CCC(=O)Nc3ccccc3Br)C[C@@H]21 ZINC000932062245 664809522 /nfs/dbraw/zinc/80/95/22/664809522.db2.gz YLXRSTCJLAGDGQ-IIYDPXPESA-N 1 0 395.297 2.909 20 0 GFADRO C[N@@H+]1C[C@@H]2CN(C(=O)Nc3nnc(C(F)(F)C(F)(F)F)s3)C[C@]2(C)C1 ZINC000932089344 664809893 /nfs/dbraw/zinc/80/98/93/664809893.db2.gz KVJVPFNWQNXKHF-HQJQHLMTSA-N 1 0 385.362 2.608 20 0 GFADRO O=C(c1ccc2c(Br)cnn2c1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000932239286 664815540 /nfs/dbraw/zinc/81/55/40/664815540.db2.gz WXBZABQZCMOIGL-AWEZNQCLSA-N 1 0 377.286 2.797 20 0 GFADRO CN(CCCN1CC[NH+](C)CC1)C(=O)C/C=C/c1ccc(Br)cc1 ZINC000932474450 664822891 /nfs/dbraw/zinc/82/28/91/664822891.db2.gz KALXYMIUIGWAAM-HWKANZROSA-N 1 0 394.357 2.948 20 0 GFADRO COC(=O)Cn1cc(CC[NH2+][C@@H](C)c2cc(Cl)cc(Cl)c2F)nn1 ZINC000932568232 664829156 /nfs/dbraw/zinc/82/91/56/664829156.db2.gz QUASJXLTWNZLSF-VIFPVBQESA-N 1 0 375.231 2.790 20 0 GFADRO CC[NH+](CC)[C@H](CNC(=O)c1cc(=O)n(C)cc1Br)CC(C)C ZINC000932692935 664832044 /nfs/dbraw/zinc/83/20/44/664832044.db2.gz IAXDEOCHKNMKTI-ZDUSSCGKSA-N 1 0 386.334 2.634 20 0 GFADRO CC(C)S(=O)(=O)CCC[N@@H+]1CC[C@H](CNC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000932706024 664832408 /nfs/dbraw/zinc/83/24/08/664832408.db2.gz UXJXRKIHATVGPP-JKSUJKDBSA-N 1 0 376.563 2.682 20 0 GFADRO CC[NH+]1CCN(CCNC(=O)C/C=C/c2ccc(Br)cc2)CC1 ZINC000932703957 664832430 /nfs/dbraw/zinc/83/24/30/664832430.db2.gz QKKWTMPHAUYKLD-ONEGZZNKSA-N 1 0 380.330 2.606 20 0 GFADRO Cc1c(Br)cc(F)cc1C(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000932715086 664832607 /nfs/dbraw/zinc/83/26/07/664832607.db2.gz BFBOMNYKJUQUQP-GFCCVEGCSA-N 1 0 386.309 2.510 20 0 GFADRO O=C1NCCC2(CC[NH+](C[C@@H](O)COc3cc(Cl)cc(Cl)c3)CC2)O1 ZINC000932758361 664834769 /nfs/dbraw/zinc/83/47/69/664834769.db2.gz WIGQRKPFQUTGLV-CQSZACIVSA-N 1 0 389.279 2.698 20 0 GFADRO Cc1ncc(NC(=O)NC2CCN(CC[NH+](C)C)CC2)c(C)c1Br ZINC000932793398 664838950 /nfs/dbraw/zinc/83/89/50/664838950.db2.gz SLALFNLPKDXALT-UHFFFAOYSA-N 1 0 398.349 2.608 20 0 GFADRO CCn1nnc(C)c1C[N@@H+]1CCC[C@](O)(c2ccc(Br)cc2)C1 ZINC000932816073 664840154 /nfs/dbraw/zinc/84/01/54/664840154.db2.gz SKBDNCLYZBZGFI-QGZVFWFLSA-N 1 0 379.302 2.853 20 0 GFADRO O=C1NC[C@@H](O)CC12CC[NH+](Cc1cc(Cl)cc(Br)c1)CC2 ZINC000932831911 664841486 /nfs/dbraw/zinc/84/14/86/664841486.db2.gz WRISRDCZZLPJFR-AWEZNQCLSA-N 1 0 387.705 2.566 20 0 GFADRO O[C@H](COc1ccc(Cl)cc1Cl)C[NH+]1CCC2(CC1)C[C@H](O)CCO2 ZINC000933067033 664849038 /nfs/dbraw/zinc/84/90/38/664849038.db2.gz RJTSHAHVVOCHTK-CABCVRRESA-N 1 0 390.307 2.739 20 0 GFADRO C[C@@H]([NH2+]CCc1ccc(S(N)(=O)=O)cc1)c1cc(Cl)cc2c1OCC2 ZINC000933270907 664853818 /nfs/dbraw/zinc/85/38/18/664853818.db2.gz HAUQMKAGZLDNEI-GFCCVEGCSA-N 1 0 380.897 2.816 20 0 GFADRO C[C@@](O)(C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1)c1ccc(F)c(Br)c1 ZINC000933331526 664859503 /nfs/dbraw/zinc/85/95/03/664859503.db2.gz FHVFUMYXCOUPQR-UGSOOPFHSA-N 1 0 399.304 2.740 20 0 GFADRO C[C@@](CO)(Cc1ccccc1F)[NH2+]CC(=O)Nc1ccc(Br)cn1 ZINC000933435828 664863780 /nfs/dbraw/zinc/86/37/80/664863780.db2.gz WHIUNXNXPZAZHM-KRWDZBQOSA-N 1 0 396.260 2.505 20 0 GFADRO O=C(CC[N@@H+]1CCOC[C@@H]1C[C@H]1CCOC1)Nc1ccccc1Br ZINC000933664445 664871817 /nfs/dbraw/zinc/87/18/17/664871817.db2.gz CLMFIOMKWJGCLA-CABCVRRESA-N 1 0 397.313 2.905 20 0 GFADRO NC(=O)[C@]12CCC[C@H]1C[N@H+](Cc1nnc(-c3ccccc3Br)o1)C2 ZINC000933762200 664877426 /nfs/dbraw/zinc/87/74/26/664877426.db2.gz VHRFXSSDZGQTML-GTNSWQLSSA-N 1 0 391.269 2.587 20 0 GFADRO CC[N@H+](C)C[C@H]1CCN(C(=O)C[C@H]2C(=O)Nc3c2cccc3Br)C1 ZINC000933797418 664878337 /nfs/dbraw/zinc/87/83/37/664878337.db2.gz FYAWNRBDPZHUOJ-TZMCWYRMSA-N 1 0 394.313 2.675 20 0 GFADRO COCCOc1ccc(NC(=O)NC[C@H]2CC[N@H+](C)C2)cc1Br ZINC000933982851 664884351 /nfs/dbraw/zinc/88/43/51/664884351.db2.gz ZBFRRGBIYUTDNL-GFCCVEGCSA-N 1 0 386.290 2.548 20 0 GFADRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)c2cnc(Br)c(C)c2)C1 ZINC000934001399 664886290 /nfs/dbraw/zinc/88/62/90/664886290.db2.gz HEBKEZXYGRFTSU-HNNXBMFYSA-N 1 0 384.318 2.725 20 0 GFADRO CC(C)c1ncc(Br)c(C(=O)NC[C@@]2([NH+](C)C)CCSC2)n1 ZINC000934079203 664889532 /nfs/dbraw/zinc/88/95/32/664889532.db2.gz NFVXBIYEOHGPGO-HNNXBMFYSA-N 1 0 387.347 2.530 20 0 GFADRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)c2ncc(Br)cn2)CC1 ZINC000934194355 664891988 /nfs/dbraw/zinc/89/19/88/664891988.db2.gz CUPWXERYPHMCQP-UHFFFAOYSA-N 1 0 389.297 2.976 20 0 GFADRO C[C@H](Cc1cccnc1)[NH2+]CC(=O)Nc1ccc(I)cc1 ZINC000934237244 664892974 /nfs/dbraw/zinc/89/29/74/664892974.db2.gz WNBUKJLMPPVHGV-GFCCVEGCSA-N 1 0 395.244 2.846 20 0 GFADRO C[C@H](C(=O)Nc1cccc(Cl)c1Cl)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000934259083 664894805 /nfs/dbraw/zinc/89/48/05/664894805.db2.gz DLLVHHBZKQYUAL-WQVCFCJDSA-N 1 0 386.323 2.851 20 0 GFADRO C[N@@H+]1CCC[C@]2(CCN(C(=O)Nc3c(Br)cnn3C3CC3)C2)C1 ZINC000934367804 664901450 /nfs/dbraw/zinc/90/14/50/664901450.db2.gz RRTFOVNSYCJUSF-INIZCTEOSA-N 1 0 382.306 2.930 20 0 GFADRO COCC[N@H+](C)CCCNC(=O)NC1(C(F)(F)F)CCC(F)(F)CC1 ZINC000934553299 664911684 /nfs/dbraw/zinc/91/16/84/664911684.db2.gz FXZIBHPKALEZME-UHFFFAOYSA-N 1 0 375.382 2.764 20 0 GFADRO Cn1ncc(I)c1C[N@@H+]1CCCC[C@H]([C@H]2CCOC2)C1 ZINC000934830916 664926478 /nfs/dbraw/zinc/92/64/78/664926478.db2.gz HDFMDOLZCHGTSZ-STQMWFEESA-N 1 0 389.281 2.663 20 0 GFADRO O=C(NCCCC[N@H+]1CCC[C@H]1CO)c1cc(Br)cnc1C1CC1 ZINC000934955585 664931693 /nfs/dbraw/zinc/93/16/93/664931693.db2.gz WIINFKDUPPNFJQ-HNNXBMFYSA-N 1 0 396.329 2.688 20 0 GFADRO C[NH+]1CCC(OCC(=O)NCc2cc3cccnc3cc2Br)CC1 ZINC000934980660 664932407 /nfs/dbraw/zinc/93/24/07/664932407.db2.gz RGKIAQUDSLMTPV-UHFFFAOYSA-N 1 0 392.297 2.724 20 0 GFADRO C[NH+]1CCC([C@H]2CCN(C(=O)c3cnn4cccc(Br)c34)C2)CC1 ZINC000935085160 664938981 /nfs/dbraw/zinc/93/89/81/664938981.db2.gz MXFZKXVCKZSMEP-AWEZNQCLSA-N 1 0 391.313 2.901 20 0 GFADRO COc1ccc([C@@H](C[NH+](C)C)NC(=O)c2cc(=O)[nH]cc2Br)cc1 ZINC000935888120 664995775 /nfs/dbraw/zinc/99/57/75/664995775.db2.gz NYEMUTNQXFZCFD-OAHLLOKOSA-N 1 0 394.269 2.591 20 0 GFADRO CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C)[C@H](NC(=O)c3csc(Cl)c3)C2)CC[N@@H+]1C ZINC000949535737 665010201 /nfs/dbraw/zinc/01/02/01/665010201.db2.gz IAQFHGZNTCMSEC-FAAHXZRKSA-N 1 0 383.945 2.709 20 0 GFADRO CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCN1C(=O)c1ccc(Cl)s1 ZINC000984948349 665019246 /nfs/dbraw/zinc/01/92/46/665019246.db2.gz YDSWBWJMILORCW-YIYPIFLZSA-N 1 0 383.945 2.851 20 0 GFADRO C[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1csc(Cl)c1 ZINC000998077495 665038638 /nfs/dbraw/zinc/03/86/38/665038638.db2.gz VDZMCHFQPWVGEM-QPSCCSFWSA-N 1 0 381.929 2.748 20 0 GFADRO C[C@@H]1CCC[N@@H+]1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccsc1Cl ZINC001000459670 665046693 /nfs/dbraw/zinc/04/66/93/665046693.db2.gz OZCJKCWIZGUOFK-UXOAXIEHSA-N 1 0 381.929 2.748 20 0 GFADRO C[N@@H+]1CC[C@H](CC(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2csc(Cl)c2)C3)C1 ZINC001002613669 665055419 /nfs/dbraw/zinc/05/54/19/665055419.db2.gz COGORWHFXMKTNG-NGFQHRJXSA-N 1 0 381.929 2.605 20 0 GFADRO C[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2ccsc2Cl)CC1 ZINC001003746904 665061931 /nfs/dbraw/zinc/06/19/31/665061931.db2.gz WRHBUIYBSIPOCN-YUELXQCFSA-N 1 0 381.929 2.605 20 0 GFADRO C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccc(Cl)s1 ZINC001003868124 665062427 /nfs/dbraw/zinc/06/24/27/665062427.db2.gz UVBILAJFBRCKCU-MQYQWHSLSA-N 1 0 381.929 2.748 20 0 GFADRO C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccc(Cl)s1 ZINC001006281513 665069692 /nfs/dbraw/zinc/06/96/92/665069692.db2.gz SXGJNPGDUVAKGA-SYQHCUMBSA-N 1 0 381.929 2.748 20 0 GFADRO C[C@@H]1CCC[N@@H+]1CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(Cl)s1)C2 ZINC001006402615 665070139 /nfs/dbraw/zinc/07/01/39/665070139.db2.gz FSFLEAWBRVPIGG-SYQHCUMBSA-N 1 0 381.929 2.748 20 0 GFADRO O=C([C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)N1CC[C@H]([NH2+]Cc2ccc(Br)s2)C1 ZINC001019168770 665073083 /nfs/dbraw/zinc/07/30/83/665073083.db2.gz VPWAIJZZUOUBAX-FEUBFEEPSA-N 1 0 397.338 2.625 20 0 GFADRO CS(=O)(=O)c1ccc(C[NH2+]C[C@H](O)c2cccc(Br)c2)cc1 ZINC000378915020 677405387 /nfs/dbraw/zinc/40/53/87/677405387.db2.gz YJMIMSGPHJLSMR-INIZCTEOSA-N 1 0 384.295 2.676 20 0 GFADRO Cn1ncc(Br)c1C[NH2+][C@@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000381928076 677406439 /nfs/dbraw/zinc/40/64/39/677406439.db2.gz QRJMCNBFLNYHDL-DGCLKSJQSA-N 1 0 387.322 2.966 20 0 GFADRO C[C@@H](Cc1ccc(Br)cc1)[NH2+]Cc1cccc(S(N)(=O)=O)c1 ZINC000389247795 677408288 /nfs/dbraw/zinc/40/82/88/677408288.db2.gz FSJWAQIWEKFHJW-LBPRGKRZSA-N 1 0 383.311 2.817 20 0 GFADRO C[N@H+](CCOc1ccc(Br)cc1)[C@H]1CCN(C2CCOCC2)C1=O ZINC000476664883 677673118 /nfs/dbraw/zinc/67/31/18/677673118.db2.gz QLXKQQZXHNISBF-KRWDZBQOSA-N 1 0 397.313 2.540 20 0 GFADRO C[C@@H]1CN([C@@H](C[NH2+]C[C@@H](O)C(F)(F)F)c2c(F)cccc2Cl)CCO1 ZINC000579827093 677673619 /nfs/dbraw/zinc/67/36/19/677673619.db2.gz GMORWZAZXFHVBL-DDTOSNHZSA-N 1 0 384.801 2.754 20 0 GFADRO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@H](CO)C1CCOCC1 ZINC000580237414 677673915 /nfs/dbraw/zinc/67/39/15/677673915.db2.gz PHHTZJLLQADEHD-MLGOLLRUSA-N 1 0 385.302 2.543 20 0 GFADRO Cn1ccnc1[C@H]([NH2+]C[C@@H](O)COc1cccc(Br)c1)C1CC1 ZINC000580316557 677674144 /nfs/dbraw/zinc/67/41/44/677674144.db2.gz LRHIDBFNULPNHJ-GDBMZVCRSA-N 1 0 380.286 2.663 20 0 GFADRO O=C1Nc2ccccc2[C@H]2CN(c3cccc(OCC[NH+]4CCCC4)n3)C[C@H]12 ZINC001164402194 718857576 /nfs/dbraw/zinc/85/75/76/718857576.db2.gz JHXCLAYHKYNBBB-MSOLQXFVSA-N 1 0 378.476 2.728 20 0 GFADRO F[C@H](Oc1cccc(-c2ccc(Cl)nn2)c1)N1CCO[C@@H]2C[NH2+]CC[C@@H]2C1 ZINC001164409891 718864599 /nfs/dbraw/zinc/86/45/99/718864599.db2.gz VFJLYMVLJDIZCN-BJZITVGISA-N 1 0 392.862 2.739 20 0 GFADRO CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@H]2N1C(F)(F)c1ccc(Cl)nc1Cl ZINC001164620285 719012611 /nfs/dbraw/zinc/01/26/11/719012611.db2.gz YEHOVKNWPDQLLN-DVVUODLYSA-N 1 0 380.222 2.663 20 0 GFADRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(F)(F)c1ccc2nc(Cl)cnc2c1 ZINC001164619751 719014517 /nfs/dbraw/zinc/01/45/17/719014517.db2.gz WZSVHTUTUSPKEP-NZVBXONLSA-N 1 0 396.825 2.558 20 0 GFADRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(F)(F)c1ccc(Cl)c(Cl)n1 ZINC001164613984 719014942 /nfs/dbraw/zinc/01/49/42/719014942.db2.gz AYZDQWMYTAAVSJ-INTQDDNPSA-N 1 0 380.222 2.663 20 0 GFADRO CCOC(=O)C1CC[NH+](C2CCN(c3cncc(OC(C)C)n3)CC2)CC1 ZINC001164617111 719031868 /nfs/dbraw/zinc/03/18/68/719031868.db2.gz GTMATPAVIGNZIE-UHFFFAOYSA-N 1 0 376.501 2.508 20 0 GFADRO CCOC(=O)C1CC[NH+](C2CCN(c3ncnc(Cl)c3CC)CC2)CC1 ZINC001164616455 719032720 /nfs/dbraw/zinc/03/27/20/719032720.db2.gz CNEIZZGTXSCHBI-UHFFFAOYSA-N 1 0 380.920 2.936 20 0 GFADRO CCNC(=O)c1cc(Cl)nc(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)n1 ZINC001164625153 719114720 /nfs/dbraw/zinc/11/47/20/719114720.db2.gz GWXHJRPIFDXJDB-FUHWJXTLSA-N 1 0 399.926 2.981 20 0 GFADRO COC(=O)c1nc(Cl)ccc1C(F)(F)N1C[C@H](CF)[C@@H](C2([NH3+])CC2)C1 ZINC001164629821 719117780 /nfs/dbraw/zinc/11/77/80/719117780.db2.gz TWOGJIYXWRCRQA-ONGXEEELSA-N 1 0 377.794 2.580 20 0 GFADRO C[N@@H+]1CCO[C@@H]2CN(c3ccc(-c4ccc(N5CCCCC5)cc4)nn3)C[C@@H]21 ZINC001164666134 719469192 /nfs/dbraw/zinc/46/91/92/719469192.db2.gz BWDMHMSEUXMBTR-LEWJYISDSA-N 1 0 379.508 2.653 20 0 GFADRO COc1cc2ccnc(-n3nc(CN(C)C(C)C)c4c3C[NH2+]CC4)c2cc1OC ZINC001164683219 719625827 /nfs/dbraw/zinc/62/58/27/719625827.db2.gz RLCROVMUKOFRKR-UHFFFAOYSA-N 1 0 395.507 2.924 20 0 GFADRO Cn1cnc2c1ccnc2N1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001164696019 719888116 /nfs/dbraw/zinc/88/81/16/719888116.db2.gz VDRCVUOGWDEMRO-UHFFFAOYSA-N 1 0 383.521 2.901 20 0 GFADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3[C@H]2CC(=O)N3c2cnn(C)c2)nc1 ZINC001164712774 720076729 /nfs/dbraw/zinc/07/67/29/720076729.db2.gz QBEHZDHOCYKQGN-VAMGGRTRSA-N 1 0 394.523 2.746 20 0 GFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1cnc(Cl)cn1)C2 ZINC001164814180 720078517 /nfs/dbraw/zinc/07/85/17/720078517.db2.gz VTELHAJPFBDJLO-YOEHRIQHSA-N 1 0 386.874 2.860 20 0 GFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(Cl)nc3c1ccn3C)C2 ZINC001164809246 720098510 /nfs/dbraw/zinc/09/85/10/720098510.db2.gz IZLXMZASDGHTHV-MGPUTAFESA-N 1 0 389.931 2.806 20 0 GFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nccc3c1C(=O)OC3(C)C)C2 ZINC001164816492 720104831 /nfs/dbraw/zinc/10/48/31/720104831.db2.gz ZFGVXGVXNFDIMW-ZHRRBRCNSA-N 1 0 385.508 2.672 20 0 GFADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(OC)nc(C)n1)CC2 ZINC001164719453 720116246 /nfs/dbraw/zinc/11/62/46/720116246.db2.gz XAJYJMYJUKWFMW-LJQANCHMSA-N 1 0 397.523 2.696 20 0 GFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nccc(N3CCCCC3)n1)C2 ZINC001164809070 720140553 /nfs/dbraw/zinc/14/05/53/720140553.db2.gz GQLFEXYUHAFZKT-KNQAVFIVSA-N 1 0 385.556 2.652 20 0 GFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1cncc(Cl)n1)C2 ZINC001164818866 720149166 /nfs/dbraw/zinc/14/91/66/720149166.db2.gz VBWOYUGUICZTIB-WMLDXEAASA-N 1 0 386.874 2.860 20 0 GFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1nccnc1Cl)C2 ZINC001164813654 720154976 /nfs/dbraw/zinc/15/49/76/720154976.db2.gz DBGVRTQGJCLTOB-WMLDXEAASA-N 1 0 386.874 2.860 20 0 GFADRO C=Cc1nc(Cl)nc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COC)c1OC ZINC001164815949 720157904 /nfs/dbraw/zinc/15/79/04/720157904.db2.gz JAFKIPNRPGIBRS-FOIQADDNSA-N 1 0 392.931 2.966 20 0 GFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nnc(OC)c3ccccc31)C2 ZINC001164817728 720165458 /nfs/dbraw/zinc/16/54/58/720165458.db2.gz PXPJDMCXACNCGK-JTSKRJEESA-N 1 0 382.508 2.823 20 0 GFADRO Cc1ccc(Cl)nc1N1CCCn2c(=O)cc(C[N@@H+](C)C(C)C)nc2C1 ZINC001164811433 720208964 /nfs/dbraw/zinc/20/89/64/720208964.db2.gz HKWFZZUHDWAQTP-UHFFFAOYSA-N 1 0 375.904 2.851 20 0 GFADRO Cc1cc(N2CCCn3c(=O)cc(C[N@@H+](C)C(C)C)nc3C2)nc(C(C)C)n1 ZINC001164813402 720236071 /nfs/dbraw/zinc/23/60/71/720236071.db2.gz NXOOVRJDLAVXOO-UHFFFAOYSA-N 1 0 384.528 2.716 20 0 GFADRO COc1cc(Cl)cnc1N1CC[C@@H]2[C@@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164821974 720298991 /nfs/dbraw/zinc/29/89/91/720298991.db2.gz MBTKGUJVVJNJQU-DLBZAZTESA-N 1 0 392.931 2.655 20 0 GFADRO Cc1cccc2c1ncnc2N1CC[C@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164823865 720305127 /nfs/dbraw/zinc/30/51/27/720305127.db2.gz QKPIATSLFKQGSJ-UXHICEINSA-N 1 0 393.535 2.850 20 0 GFADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2nncc3ccccc32)CC1 ZINC001164827886 720305814 /nfs/dbraw/zinc/30/58/14/720305814.db2.gz YKKHESSRQXRVRB-UXHICEINSA-N 1 0 379.508 2.541 20 0 GFADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2nccc(C(C)(C)C)n2)CC1 ZINC001164821398 720313008 /nfs/dbraw/zinc/31/30/08/720313008.db2.gz KNXIYTLRLATSKS-QZTJIDSGSA-N 1 0 385.556 2.686 20 0 GFADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2nc(Cl)cnc2Cl)CC1 ZINC001164820001 720315091 /nfs/dbraw/zinc/31/50/91/720315091.db2.gz GDXAKXXACAXBOP-KGLIPLIRSA-N 1 0 398.338 2.695 20 0 GFADRO O=C(c1cccnc1N1CC[C@H]2[C@H]1CC[N@@H+]2Cc1cccnc1)N1CCCC1 ZINC001164721182 720329208 /nfs/dbraw/zinc/32/92/08/720329208.db2.gz AZXUJYUNCWUELZ-VQTJNVASSA-N 1 0 377.492 2.566 20 0 GFADRO CCOc1ccc(C(=O)OC)c(N2CC[C@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)n1 ZINC001164725125 720398302 /nfs/dbraw/zinc/39/83/02/720398302.db2.gz MJAYNXSUCGCLBG-ZWKOTPCHSA-N 1 0 382.464 2.515 20 0 GFADRO CC(C)(C)NC(=O)c1ccnc(N2CC[C@@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)c1 ZINC001164725648 720414370 /nfs/dbraw/zinc/41/43/70/720414370.db2.gz AIBOSWGFBBJSJN-MOPGFXCFSA-N 1 0 379.508 2.858 20 0 GFADRO CC1CCN(c2ccc(N3CC[C@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)nn2)CC1 ZINC001164728722 720444419 /nfs/dbraw/zinc/44/44/19/720444419.db2.gz GGGUSLVQDUWVCE-PMACEKPBSA-N 1 0 378.524 2.961 20 0 GFADRO CC(C)[N@H+]1[C@@H]2CCN(c3ncnc4cccnc43)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164835798 720516920 /nfs/dbraw/zinc/51/69/20/720516920.db2.gz LKXICHBJECODRD-ZIFCJYIRSA-N 1 0 377.496 2.599 20 0 GFADRO CC(C)[N@H+]1[C@@H]2CCN(c3ncnc4cnccc43)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164835252 720518949 /nfs/dbraw/zinc/51/89/49/720518949.db2.gz JJPSNTNENHZZJW-FUHIMQAGSA-N 1 0 377.496 2.599 20 0 GFADRO COc1cccc(Oc2cncc(N3Cc4nccn4C[C@H](C[NH+](C)C)C3)n2)c1 ZINC001164733006 720519934 /nfs/dbraw/zinc/51/99/34/720519934.db2.gz IFAOZWUQKJOZFI-INIZCTEOSA-N 1 0 394.479 2.672 20 0 GFADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3ncc4cccnc4n3)CC[C@@H]21 ZINC001164838533 720550787 /nfs/dbraw/zinc/55/07/87/720550787.db2.gz OJLYGRHLIGSFPU-FHWLQOOXSA-N 1 0 377.496 2.599 20 0 GFADRO Clc1nc2c(c(N3CCc4ncc(C[NH+]5CCCC5)n4CC3)n1)CSC2 ZINC001164734347 720557184 /nfs/dbraw/zinc/55/71/84/720557184.db2.gz ZPPUJEDLHLBUOV-UHFFFAOYSA-N 1 0 390.944 2.732 20 0 GFADRO CC(C)[N@H+]1[C@@H]2CCN(c3cc(OCC4CC4)ncn3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164834573 720559049 /nfs/dbraw/zinc/55/90/49/720559049.db2.gz DYYHPOUDGDWSNU-SLFFLAALSA-N 1 0 396.539 2.840 20 0 GFADRO COC(OC)c1cc(C)cnc1N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001164736761 720575884 /nfs/dbraw/zinc/57/58/84/720575884.db2.gz SSQMAEFCPIZUDV-UHFFFAOYSA-N 1 0 385.512 2.536 20 0 GFADRO Cc1cccc2c(C)cc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)nc12 ZINC001164742446 720625177 /nfs/dbraw/zinc/62/51/77/720625177.db2.gz NIWJVNUYDWTWFJ-MSOLQXFVSA-N 1 0 375.476 2.984 20 0 GFADRO Cc1noc2ncnc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cccn5)[N@H+]4C(C)C)C3)c12 ZINC001164842191 720626782 /nfs/dbraw/zinc/62/67/82/720626782.db2.gz UIRNPAXLSANPAI-GVDBMIGSSA-N 1 0 381.484 2.501 20 0 GFADRO Cc1ccc2nc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)c(Cl)nc2c1 ZINC001164737805 720686235 /nfs/dbraw/zinc/68/62/35/720686235.db2.gz GYYCXCUCURVHQV-CABCVRRESA-N 1 0 396.882 2.724 20 0 GFADRO Cc1cc(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)nc(-c2cccs2)n1 ZINC001164737489 720779222 /nfs/dbraw/zinc/77/92/22/720779222.db2.gz BWDCBRHNEQLBAS-JKSUJKDBSA-N 1 0 394.504 2.645 20 0 GFADRO Cc1nc2ccoc2c(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164752582 720809187 /nfs/dbraw/zinc/80/91/87/720809187.db2.gz ZGEURAAWCBVLSK-YQVWRLOYSA-N 1 0 393.495 2.502 20 0 GFADRO Cc1nc2ccoc2c(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164752584 720809407 /nfs/dbraw/zinc/80/94/07/720809407.db2.gz ZGEURAAWCBVLSK-ZHALLVOQSA-N 1 0 393.495 2.502 20 0 GFADRO Cc1cc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc(C(C)C)n1 ZINC001164743134 720846350 /nfs/dbraw/zinc/84/63/50/720846350.db2.gz IWYMRSPUATWULY-HSALFYBXSA-N 1 0 395.555 2.879 20 0 GFADRO Cc1cc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc(C(C)C)n1 ZINC001164743135 720846530 /nfs/dbraw/zinc/84/65/30/720846530.db2.gz IWYMRSPUATWULY-SLFFLAALSA-N 1 0 395.555 2.879 20 0 GFADRO COCC[N@@H+]1CCO[C@H]2CN(c3cccc(OCc4ccccc4)n3)CC[C@H]2C1 ZINC001164860876 720867941 /nfs/dbraw/zinc/86/79/41/720867941.db2.gz WWWUKEHIAOLWNF-SFTDATJTSA-N 1 0 397.519 2.834 20 0 GFADRO Cc1cnnc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c1 ZINC001164749749 720877184 /nfs/dbraw/zinc/87/71/84/720877184.db2.gz HVOBTNKGXULIRG-FYYLOGMGSA-N 1 0 393.535 2.935 20 0 GFADRO COCC[N@@H+]1CCO[C@H]2CN(c3c(F)ccc4c(Cl)ncnc43)CC[C@H]2C1 ZINC001164864749 720891072 /nfs/dbraw/zinc/89/10/72/720891072.db2.gz WXCVUNUDCWTFPW-BBRMVZONSA-N 1 0 394.878 2.596 20 0 GFADRO Cc1cn(-c2ccc(N3CCn4c(C[N@@H+](C)C(C)C)cnc4[C@H]3C)nn2)cn1 ZINC001164863570 720983695 /nfs/dbraw/zinc/98/36/95/720983695.db2.gz WNEOSKJQOHWLNF-MRXNPFEDSA-N 1 0 380.500 2.589 20 0 GFADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1nc(C(N)=O)cc3ccccc31)[C@@H]2C ZINC001164864599 721008167 /nfs/dbraw/zinc/00/81/67/721008167.db2.gz YIYCZMVIGDKWAA-OAHLLOKOSA-N 1 0 392.507 2.952 20 0 GFADRO CC(C)[N@H+](C)Cc1cnc2n1CCN([C@H](F)Oc1ccc(Cl)nn1)[C@H]2C ZINC001164863639 721022310 /nfs/dbraw/zinc/02/23/10/721022310.db2.gz UNRUWMGLWDZACG-SJCJKPOMSA-N 1 0 382.871 2.875 20 0 GFADRO Cc1cc2c(ncnc2N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)s1 ZINC001164868694 721042183 /nfs/dbraw/zinc/04/21/83/721042183.db2.gz PXAZCOPHMDUTEK-IRXDYDNUSA-N 1 0 381.505 2.874 20 0 GFADRO CSc1nc(Cl)cc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164871969 721046253 /nfs/dbraw/zinc/04/62/53/721046253.db2.gz ZYUAUIUVRMSDLH-CABCVRRESA-N 1 0 391.928 2.727 20 0 GFADRO Clc1cc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)nc(C2CC2)n1 ZINC001164867714 721056324 /nfs/dbraw/zinc/05/63/24/721056324.db2.gz JTEWMCXUUXLBKY-IRXDYDNUSA-N 1 0 385.899 2.882 20 0 GFADRO COc1nc2ccccc2nc1N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164866823 721065037 /nfs/dbraw/zinc/06/50/37/721065037.db2.gz FZCRHWQNDCSBEN-QZTJIDSGSA-N 1 0 391.475 2.513 20 0 GFADRO Cc1ccc2ncnc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)c2c1 ZINC001164868337 721066608 /nfs/dbraw/zinc/06/66/08/721066608.db2.gz NWHFIFAVRSLGOY-OALUTQOASA-N 1 0 375.476 2.813 20 0 GFADRO Fc1ccc2cnnc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)c2c1 ZINC001164865319 721097752 /nfs/dbraw/zinc/09/77/52/721097752.db2.gz KAARKSNJLVBSFY-OALUTQOASA-N 1 0 379.439 2.644 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(C(F)(F)Oc4cccc(Cl)n4)C[C@@H]3C2)cn1 ZINC001164769392 721102304 /nfs/dbraw/zinc/10/23/04/721102304.db2.gz OPEVPUWINDZJAF-CABCVRRESA-N 1 0 397.857 2.852 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4nc(Cl)nc5c4CSC5)C[C@@H]3C2)cn1 ZINC001164765766 721102466 /nfs/dbraw/zinc/10/24/66/721102466.db2.gz KJRATRQLDYBHHN-KBPBESRZSA-N 1 0 390.944 2.569 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(C(F)(F)Oc4ccc(Cl)nc4)C[C@H]3C2)cn1 ZINC001164765352 721102609 /nfs/dbraw/zinc/10/26/09/721102609.db2.gz JAKIWCOGTCZEII-HUUCEWRRSA-N 1 0 397.857 2.852 20 0 GFADRO COc1ccc2nc(N3C[C@@H]4CC[N@H+](Cc5cnn(C)c5)C[C@H]4C3)ccc2c1 ZINC001164766501 721107259 /nfs/dbraw/zinc/10/72/59/721107259.db2.gz LTBJBYJFOLRYFI-OALUTQOASA-N 1 0 377.492 2.935 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4ccc5cc(Cl)cnc5n4)C[C@H]3C2)cn1 ZINC001164773986 721117604 /nfs/dbraw/zinc/11/76/04/721117604.db2.gz ZQUGRPIZABZEEP-IAGOWNOFSA-N 1 0 382.899 2.975 20 0 GFADRO COC(OC)c1cc(C)cnc1N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164879500 721122623 /nfs/dbraw/zinc/12/26/23/721122623.db2.gz SVBUHUPPTOBCSI-MOPGFXCFSA-N 1 0 398.507 2.556 20 0 GFADRO CCOc1cc(Cl)nc(N2C[C@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)c1 ZINC001164772252 721123635 /nfs/dbraw/zinc/12/36/35/721123635.db2.gz UTOVTKCIVCNYGI-HZPDHXFCSA-N 1 0 375.904 2.826 20 0 GFADRO CC(C)n1ccc2c1ncnc2N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164872265 721130428 /nfs/dbraw/zinc/13/04/28/721130428.db2.gz HGATUYLDRABUIJ-MOPGFXCFSA-N 1 0 392.507 2.887 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4nncc5cc(Cl)ccc54)C[C@H]3C2)cn1 ZINC001164773613 721141153 /nfs/dbraw/zinc/14/11/53/721141153.db2.gz YNEHUUOUQXAERN-DOTOQJQBSA-N 1 0 382.899 2.975 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4ncc5c(Cl)cccc5n4)C[C@@H]3C2)cn1 ZINC001164763438 721146895 /nfs/dbraw/zinc/14/68/95/721146895.db2.gz FXBVFKMFCZCCCN-CVEARBPZSA-N 1 0 382.899 2.975 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4ccc5c(Cl)ccnc5n4)C[C@H]3C2)cn1 ZINC001164772732 721153748 /nfs/dbraw/zinc/15/37/48/721153748.db2.gz VSADOLFIRCUJQK-HZPDHXFCSA-N 1 0 382.899 2.975 20 0 GFADRO CC(C)Sc1ccc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)nn1 ZINC001164876990 721164682 /nfs/dbraw/zinc/16/46/82/721164682.db2.gz NMDNHXPJEPLQGT-QZTJIDSGSA-N 1 0 385.537 2.852 20 0 GFADRO CCc1cc2c(nc(Cl)nc2N2C[C@@H]3C[N@@H+](Cc4cnn(C)c4)CC[C@@H]3C2)[nH]1 ZINC001164763215 721183561 /nfs/dbraw/zinc/18/35/61/721183561.db2.gz DSYCMLKCZJYFMY-CABCVRRESA-N 1 0 399.930 2.866 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4nc(C(C)(C)C)nc5[nH]ccc54)C[C@H]3C2)cn1 ZINC001164766786 721184097 /nfs/dbraw/zinc/18/40/97/721184097.db2.gz JGJCDRGABWPNCO-IAGOWNOFSA-N 1 0 393.539 2.947 20 0 GFADRO COc1cc(C)c2ncnc(N3C[C@@H]4CC[N@H+](Cc5cnn(C)c5)C[C@H]4C3)c2c1 ZINC001164769749 721249170 /nfs/dbraw/zinc/24/91/70/721249170.db2.gz ZMCNSDNDQSPOLE-ROUUACIJSA-N 1 0 392.507 2.639 20 0 GFADRO Cc1ccc2ncnc(N3CC[C@]4(C3)CCC[C@H](C[NH+]3CCN(C)CC3)O4)c2c1 ZINC001164894524 721396485 /nfs/dbraw/zinc/39/64/85/721396485.db2.gz YPEIYORMJNQONN-XXBNENTESA-N 1 0 395.551 2.704 20 0 GFADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncnc3cc[nH]c31)CC2 ZINC001164790578 721450885 /nfs/dbraw/zinc/45/08/85/721450885.db2.gz ZSPDXLXCAKTJNR-SFHVURJKSA-N 1 0 399.539 2.692 20 0 GFADRO CCOC(=O)c1cnc(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)cn1 ZINC001164792997 721494627 /nfs/dbraw/zinc/49/46/27/721494627.db2.gz YALUTGYYXPQHIK-UHFFFAOYSA-N 1 0 395.507 2.929 20 0 GFADRO Fc1cccc(O[C@H]2C[C@H]3CN(c4nccc(N5CCCC5)n4)CC[N@@H+]3C2)c1 ZINC001164897277 721508304 /nfs/dbraw/zinc/50/83/04/721508304.db2.gz FOOXMNDRQONIRE-HKUYNNGSSA-N 1 0 383.471 2.558 20 0 GFADRO CCOC(=O)c1ccc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)nc1 ZINC001164898191 721510988 /nfs/dbraw/zinc/51/09/88/721510988.db2.gz IEVYCDJWSHXYEL-PKOBYXMFSA-N 1 0 385.439 2.739 20 0 GFADRO CCOC(=O)c1ccnc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)c1 ZINC001164804425 721529938 /nfs/dbraw/zinc/52/99/38/721529938.db2.gz JQXMJJXHZAVCGP-IRFCIJBXSA-N 1 0 396.491 2.522 20 0 GFADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)nc3c2CCC3)[C@@H]2CCCO[C@@H]12 ZINC001164798922 721533911 /nfs/dbraw/zinc/53/39/11/721533911.db2.gz AAVVPBGYGBSHGE-GUDVDZBRSA-N 1 0 399.926 2.882 20 0 GFADRO COC(=O)c1cc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)ncc1C ZINC001164905876 721540686 /nfs/dbraw/zinc/54/06/86/721540686.db2.gz JLDUBFLZYMMVET-WMZOPIPTSA-N 1 0 385.439 2.658 20 0 GFADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2cnc3ccc(Cl)cc3n2)CC1 ZINC001165011968 721736885 /nfs/dbraw/zinc/73/68/85/721736885.db2.gz ZRLOKGKVLAYAHY-UHFFFAOYSA-N 1 0 387.915 2.806 20 0 GFADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2nc3[nH]ccc3cc2Cl)CC1 ZINC001165009344 721739959 /nfs/dbraw/zinc/73/99/59/721739959.db2.gz BQYMDRJUUZBLDN-UHFFFAOYSA-N 1 0 375.904 2.691 20 0 GFADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2ncnc3sc4c(c32)CCC4)CC1 ZINC001165009960 721744413 /nfs/dbraw/zinc/74/44/13/721744413.db2.gz KFGXVZCISHYHTC-UHFFFAOYSA-N 1 0 399.564 2.703 20 0 GFADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc(Cl)c(C(N)=O)n3)C[C@H]21 ZINC001165026904 721803065 /nfs/dbraw/zinc/80/30/65/721803065.db2.gz SDWHSWYXIKBQCN-QGPMSJSTSA-N 1 0 399.926 2.966 20 0 GFADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc4c(cn3)NC(=O)C4)C[C@@H]21 ZINC001165028106 721803844 /nfs/dbraw/zinc/80/38/44/721803844.db2.gz YILCIALGHDWHBT-MOXGXCLJSA-N 1 0 377.492 2.708 20 0 GFADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc(-n4ccnc4)nn3)C[C@@H]21 ZINC001165027111 721817660 /nfs/dbraw/zinc/81/76/60/721817660.db2.gz SGVNKKSDXCBBBO-YZGWKJHDSA-N 1 0 389.507 2.794 20 0 GFADRO c1ccc(COC[C@]23COC[C@H]2CN(c2ccc(C[NH+]4CCCC4)cn2)C3)nc1 ZINC001164921753 721839906 /nfs/dbraw/zinc/83/99/06/721839906.db2.gz FRAKIYQHKSRZGW-OFNKIYASSA-N 1 0 394.519 2.742 20 0 GFADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2cc(C(N)=O)cc(C)n2)CC1 ZINC001165030312 721845256 /nfs/dbraw/zinc/84/52/56/721845256.db2.gz HNACYRWIYVLZFN-UHFFFAOYSA-N 1 0 398.507 2.607 20 0 GFADRO COc1ccc2nc(Cl)nc(N3CC[C@@H]4[C@H]3CC[N@@H+]4CCN(C)C)c2c1 ZINC001164922881 721847343 /nfs/dbraw/zinc/84/73/43/721847343.db2.gz SBGAXDKTAUZKEB-IAGOWNOFSA-N 1 0 375.904 2.506 20 0 GFADRO COCc1cc(N2CC[C@@H]3[C@@H]2CC[N@@H+]3CCN(C)C)nc(-c2ccccc2)n1 ZINC001164930737 721850818 /nfs/dbraw/zinc/85/08/18/721850818.db2.gz SKSPBIOXFJQSIJ-UXHICEINSA-N 1 0 381.524 2.505 20 0 GFADRO COc1ccc2nc(N3CC[C@H]4[C@@H]3CCN4CC[NH+](C)C)c(Cl)nc2c1 ZINC001164926235 721859416 /nfs/dbraw/zinc/85/94/16/721859416.db2.gz IAOAEEVALFODOL-IRXDYDNUSA-N 1 0 375.904 2.506 20 0 GFADRO COc1cccc2nc(Cl)nc(N3CC[C@@H]4[C@H]3CCN4CC[NH+](C)C)c21 ZINC001164928296 721866702 /nfs/dbraw/zinc/86/67/02/721866702.db2.gz YDFWAUYRIRSKMF-HUUCEWRRSA-N 1 0 375.904 2.506 20 0 GFADRO CN(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCN2c1cc(-c2nc(C(C)(C)C)no2)ccn1 ZINC001164920868 721875447 /nfs/dbraw/zinc/87/54/47/721875447.db2.gz BHNXGYSUCZATCI-IAGOWNOFSA-N 1 0 384.528 2.644 20 0 GFADRO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2c1nc2ccccc2nc1N1CCCCC1 ZINC001164923119 721876901 /nfs/dbraw/zinc/87/69/01/721876901.db2.gz IGIISDBCKVCDMQ-LEWJYISDSA-N 1 0 394.567 2.835 20 0 GFADRO CN(C)CC[N@@H+]1CC[C@H]2[C@H]1CCN2c1nc(-c2ccccn2)nc2ccccc21 ZINC001164933562 721878602 /nfs/dbraw/zinc/87/86/02/721878602.db2.gz MUUGVSDRAISBCC-RTWAWAEBSA-N 1 0 388.519 2.906 20 0 GFADRO CCOC(=O)c1nnc(SC)nc1N1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001165049739 721968050 /nfs/dbraw/zinc/96/80/50/721968050.db2.gz WIKJZBIYNCCDIK-AWEZNQCLSA-N 1 0 379.530 2.615 20 0 GFADRO COC[C@]12COC[C@@H]1CN(c1ccc3c(n1)CC[N@@H+](Cc1ccccc1)C3)C2 ZINC001164951728 721992641 /nfs/dbraw/zinc/99/26/41/721992641.db2.gz NEMAUVBOEMAENL-NZQKXSOJSA-N 1 0 379.504 2.739 20 0 GFADRO COCc1cc(N2C[C@@H]3C[N@@H+](CC4CC4)C[C@H](C2)O3)nc(-c2ccccc2)n1 ZINC001164965940 722067791 /nfs/dbraw/zinc/06/77/91/722067791.db2.gz SKGDFPGVAGRYDF-BGYRXZFFSA-N 1 0 380.492 2.589 20 0 GFADRO c1cc2c(ncnc2N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)s1 ZINC001164981331 722099286 /nfs/dbraw/zinc/09/92/86/722099286.db2.gz LBNAOUUWPNVRNW-FUHWJXTLSA-N 1 0 381.505 2.814 20 0 GFADRO Cc1c[nH]c2nc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)ccc12 ZINC001164970948 722108749 /nfs/dbraw/zinc/10/87/49/722108749.db2.gz ATYRRHOKTBXFHB-UYAOXDASSA-N 1 0 377.492 2.994 20 0 GFADRO Cc1nc(Cl)c(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)nc1C ZINC001164981982 722119786 /nfs/dbraw/zinc/11/97/86/722119786.db2.gz VLGYLOHFMVKJQE-ROUUACIJSA-N 1 0 387.915 2.869 20 0 GFADRO Fc1ccc2cnnc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)c2c1 ZINC001164971458 722123681 /nfs/dbraw/zinc/12/36/81/722123681.db2.gz CMDBZJRRXHJVSH-NQIIRXRSSA-N 1 0 393.466 2.891 20 0 GFADRO COc1cnc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c(Cl)c1 ZINC001164980251 722129791 /nfs/dbraw/zinc/12/97/91/722129791.db2.gz MDQVDDJOWDSJJT-VQIMIIECSA-N 1 0 388.899 2.866 20 0 GFADRO CC(C)COc1nccnc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164978872 722150193 /nfs/dbraw/zinc/15/01/93/722150193.db2.gz KDZUQQDSLPQACN-VQTJNVASSA-N 1 0 397.523 2.634 20 0 GFADRO Cc1nc(CN2CCO[C@@H]3CCN(c4cc(N(C)C)cc[nH+]4)CC[C@H]32)cs1 ZINC001164994547 722181438 /nfs/dbraw/zinc/18/14/38/722181438.db2.gz YZWGGPSCIMONNJ-RTBURBONSA-N 1 0 387.553 2.782 20 0 GFADRO Cc1nc2cc(F)ccc2c(N2CCCn3cnc(COCC[NH+](C)C)c3C2)n1 ZINC001164999559 722252189 /nfs/dbraw/zinc/25/21/89/722252189.db2.gz BUMZNOLCTGZIKO-UHFFFAOYSA-N 1 0 398.486 2.762 20 0 GFADRO Cc1[nH+]c(N2CC[C@@]3(C2)CN(c2cccc(F)c2)C(=O)CN3C)cc2[nH]ccc21 ZINC001165006889 722267162 /nfs/dbraw/zinc/26/71/62/722267162.db2.gz NIEIOXJKVIARDX-JOCHJYFZSA-N 1 0 393.466 2.938 20 0 GFADRO CC(=O)N1CCC([NH2+]Cc2c(Br)cncc2Br)CC1 ZINC000394567759 563530446 /nfs/dbraw/zinc/53/04/46/563530446.db2.gz LYRGQNHGSGHYLK-UHFFFAOYSA-N 1 0 391.107 2.707 20 0 GFADRO C[C@H](C(=O)NCC(F)(F)F)[N@@H+]1C[C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)[C@H]2C1 ZINC000359993568 206277181 /nfs/dbraw/zinc/27/71/81/206277181.db2.gz KUJYQPOZEGTKJO-ZOBORPQBSA-N 1 0 393.450 2.679 20 0 GFADRO CC[C@H]1CN(C(=O)c2ccc(F)cc2I)CC[C@@H]1[NH3+] ZINC000234095579 553067287 /nfs/dbraw/zinc/06/72/87/553067287.db2.gz BSRZGGYIPLXMAH-ZANVPECISA-N 1 0 376.213 2.630 20 0 GFADRO COc1cc(S(=O)(=O)N[C@@H]2CCC[N@@H+](C(C)C)C2)ccc1Br ZINC000331228618 563541381 /nfs/dbraw/zinc/54/13/81/563541381.db2.gz GLNWCYONNUCNRZ-GFCCVEGCSA-N 1 0 391.331 2.609 20 0 GFADRO COCCCCC[NH2+][C@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430732137 563548109 /nfs/dbraw/zinc/54/81/09/563548109.db2.gz OCHVXJAMKUSPPS-LLVKDONJSA-N 1 0 379.320 2.564 20 0 GFADRO COc1nc(N2CC[NH+](CCSC(C)C)CC2)ncc1Br ZINC000409446934 563560453 /nfs/dbraw/zinc/56/04/53/563560453.db2.gz LZTFXPLCGPXFSN-UHFFFAOYSA-N 1 0 375.336 2.511 20 0 GFADRO CNC(=O)[C@@H]([NH2+]Cc1ccc(I)c(Cl)c1)C(C)C ZINC000436091350 563663964 /nfs/dbraw/zinc/66/39/64/563663964.db2.gz OGUIMCYHZOEPOL-LBPRGKRZSA-N 1 0 380.657 2.805 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1Cl ZINC000015261474 551111013 /nfs/dbraw/zinc/11/10/13/551111013.db2.gz DGQXKTOKQHUSMP-CYBMUJFWSA-N 1 0 387.933 2.793 20 0 GFADRO C[NH+]1CCC(CNC(=O)c2ccc(Cl)cc2Cl)(N2CCOCC2)CC1 ZINC000040616345 551134752 /nfs/dbraw/zinc/13/47/52/551134752.db2.gz SUHGSCBYWVZKJO-UHFFFAOYSA-N 1 0 386.323 2.520 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)C(=O)NC[C@H](CC(C)C)[NH+](C)C ZINC000041322743 551135389 /nfs/dbraw/zinc/13/53/89/551135389.db2.gz ITTWORGAJCHJQC-AWEZNQCLSA-N 1 0 384.318 2.789 20 0 GFADRO CC[NH+]1CCN(CCNC(=O)c2csc(-c3cccc(Cl)c3)n2)CC1 ZINC000042590808 551139818 /nfs/dbraw/zinc/13/98/18/551139818.db2.gz NVZSOXVXCPVHMB-UHFFFAOYSA-N 1 0 378.929 2.831 20 0 GFADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N(C)Cc2ccccc2Br)C1 ZINC000043822018 551142757 /nfs/dbraw/zinc/14/27/57/551142757.db2.gz NTVFUVKJQHGKOP-MRXNPFEDSA-N 1 0 398.345 2.947 20 0 GFADRO CC1CC[NH+](CCCNS(=O)(=O)c2sccc2Br)CC1 ZINC000048440871 551156528 /nfs/dbraw/zinc/15/65/28/551156528.db2.gz HLHUSMLVFGCZJL-UHFFFAOYSA-N 1 0 381.361 2.911 20 0 GFADRO CCCC[N@H+](CCCOc1cccc(I)c1)CC(N)=O ZINC000049238782 551158661 /nfs/dbraw/zinc/15/86/61/551158661.db2.gz UQVLVBYJPYCXSV-UHFFFAOYSA-N 1 0 390.265 2.648 20 0 GFADRO COCCC[N@H+](C)[C@@H](C)C(=O)Nc1ccc(I)cc1 ZINC000049331884 551158718 /nfs/dbraw/zinc/15/87/18/551158718.db2.gz PWMCKPBOWHZIMZ-NSHDSACASA-N 1 0 376.238 2.587 20 0 GFADRO CC[NH+](CC)CCNC(=O)[C@H](CCSC)NC(=O)c1ccccc1Cl ZINC000050081155 551160175 /nfs/dbraw/zinc/16/01/75/551160175.db2.gz HVPDPWKVNOLYGF-INIZCTEOSA-N 1 0 385.961 2.650 20 0 GFADRO C[NH+](C)CCOc1ccc(CNS(=O)(=O)c2ccc(F)cc2Cl)cc1 ZINC000055246462 551171839 /nfs/dbraw/zinc/17/18/39/551171839.db2.gz HMBOBTVGPRHGNM-UHFFFAOYSA-N 1 0 386.876 2.898 20 0 GFADRO C[NH+](C)CCOc1cccc(CNS(=O)(=O)c2ccc(F)c(Cl)c2)c1 ZINC000055246764 551172289 /nfs/dbraw/zinc/17/22/89/551172289.db2.gz YNYCITZUBLRYKC-UHFFFAOYSA-N 1 0 386.876 2.898 20 0 GFADRO C[NH+](C)CCOc1cccc(CNS(=O)(=O)c2ccc(Cl)cc2F)c1 ZINC000055246725 551172307 /nfs/dbraw/zinc/17/23/07/551172307.db2.gz PBYKVKSAYWCLCN-UHFFFAOYSA-N 1 0 386.876 2.898 20 0 GFADRO C[NH+]1CCN(CCNC(=O)CSCc2ccc(Cl)cc2Cl)CC1 ZINC000056968642 551178616 /nfs/dbraw/zinc/17/86/16/551178616.db2.gz GYIYTWYTBDTIBH-UHFFFAOYSA-N 1 0 376.353 2.590 20 0 GFADRO Cc1cnn(CC(=O)N(CC[NH+](C)C)Cc2ccc(Br)cc2)c1 ZINC000056997063 551179240 /nfs/dbraw/zinc/17/92/40/551179240.db2.gz GIZROSZEYYBFQX-UHFFFAOYSA-N 1 0 379.302 2.544 20 0 GFADRO CCN1CC[NH+](CCCCNC(=O)NCc2cccc(Br)c2)CC1 ZINC000057631831 551180794 /nfs/dbraw/zinc/18/07/94/551180794.db2.gz MZAKTDYHQOWNOM-UHFFFAOYSA-N 1 0 397.361 2.666 20 0 GFADRO C[NH+](C)Cc1cccc(NC(=O)C(=O)NCc2cccc(Br)c2)c1 ZINC000057680087 551181373 /nfs/dbraw/zinc/18/13/73/551181373.db2.gz DTHLANZDHHGGGF-UHFFFAOYSA-N 1 0 390.281 2.766 20 0 GFADRO O=C(NCCOc1ccc(Br)cc1)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000068406015 551191817 /nfs/dbraw/zinc/19/18/17/551191817.db2.gz AKAJIEOYXXPYNG-HZPDHXFCSA-N 1 0 382.302 2.754 20 0 GFADRO C[C@H]1CCC[N@H+](CC(=O)Nc2ccc(Cl)c(S(=O)(=O)N(C)C)c2)CC1 ZINC000068837868 551193477 /nfs/dbraw/zinc/19/34/77/551193477.db2.gz BIFKXYLCJLDVQK-ZDUSSCGKSA-N 1 0 387.933 2.651 20 0 GFADRO CC(C)[C@@H](C(=O)N1CCN(C(=O)c2cccc(Cl)c2Cl)CC1)[NH+](C)C ZINC000106458981 551200160 /nfs/dbraw/zinc/20/01/60/551200160.db2.gz IDYHURVIAHGNIQ-INIZCTEOSA-N 1 0 386.323 2.864 20 0 GFADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)N(C)[C@@H](C)c1ccccc1Br ZINC000106583354 551200766 /nfs/dbraw/zinc/20/07/66/551200766.db2.gz BLVQSDUWMZEZQH-CABCVRRESA-N 1 0 397.361 2.787 20 0 GFADRO C[NH+](C)C[C@@H]1CCCCN1C(=O)c1cc(=O)c2cc(Br)ccc2[nH]1 ZINC000112635374 551206623 /nfs/dbraw/zinc/20/66/23/551206623.db2.gz QFSUCZHFIJORLY-ZDUSSCGKSA-N 1 0 392.297 2.847 20 0 GFADRO C[NH+](C)[C@H]1CCCN(S(=O)(=O)c2cc(Br)ccc2Cl)C1 ZINC000116346832 551212763 /nfs/dbraw/zinc/21/27/63/551212763.db2.gz KRTOEQIDCGRSMO-NSHDSACASA-N 1 0 381.723 2.817 20 0 GFADRO O=C(c1cc(I)c[nH]1)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000119138487 551215024 /nfs/dbraw/zinc/21/50/24/551215024.db2.gz CZODJVBWMURTIR-NHYWBVRUSA-N 1 0 399.276 2.708 20 0 GFADRO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CCCO[C@H]1CCOC1 ZINC000119161525 551215479 /nfs/dbraw/zinc/21/54/79/551215479.db2.gz PEIUCAGXDCAJLS-CJNGLKHVSA-N 1 0 385.302 2.951 20 0 GFADRO COc1sc(CN2CCN(CC[NH+]3CCCC3)CC2)cc1Br ZINC000119516321 551217402 /nfs/dbraw/zinc/21/74/02/551217402.db2.gz LXPYMTHBXQZPJQ-UHFFFAOYSA-N 1 0 388.375 2.733 20 0 GFADRO C[C@H](CC(=O)N[C@@H](C)CN1CC[NH+](C)CC1)c1ccc(Br)cc1 ZINC000120954780 551223146 /nfs/dbraw/zinc/22/31/46/551223146.db2.gz VTFWSNYDKMVBME-CABCVRRESA-N 1 0 382.346 2.695 20 0 GFADRO Cc1cccc(NC(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c1Br ZINC000121153487 551228386 /nfs/dbraw/zinc/22/83/86/551228386.db2.gz DJHDRNAVLURDLG-DZGCQCFKSA-N 1 0 394.313 2.639 20 0 GFADRO CCC[C@@H]1CN(CC(=O)Nc2ccc(Br)cc2)CC[N@@H+]1CCOC ZINC000121860604 551244330 /nfs/dbraw/zinc/24/43/30/551244330.db2.gz PTTRUHLMRCAVNO-QGZVFWFLSA-N 1 0 398.345 2.820 20 0 GFADRO C[C@@H](CNC(=O)/C=C/c1cc(Br)ccc1F)C[NH+]1CCN(C)CC1 ZINC000121957902 551293184 /nfs/dbraw/zinc/29/31/84/551293184.db2.gz NYIOXEKVXHAQMO-ZRFDWSJLSA-N 1 0 398.320 2.601 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)CSc1nnc(-c2ccc(Cl)cc2)o1)C1CC1 ZINC000122374571 551297420 /nfs/dbraw/zinc/29/74/20/551297420.db2.gz BFZGWZBZXHQIFO-AWEZNQCLSA-N 1 0 380.901 2.939 20 0 GFADRO O=C(CSc1cccc(Br)c1)NC[C@@H]1CN(C2CC2)CCO1 ZINC000122533106 551299110 /nfs/dbraw/zinc/29/91/10/551299110.db2.gz YERDMIBJFZJSMO-CQSZACIVSA-N 1 0 385.327 2.521 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCCCN1S(=O)(=O)c1cc(Br)ccc1Cl ZINC000123065812 551302658 /nfs/dbraw/zinc/30/26/58/551302658.db2.gz DOAIAZIWRLFNTB-CABZTGNLSA-N 1 0 381.723 2.993 20 0 GFADRO C[C@H]1C[C@@H](N(C)CC(=O)N(C)Cc2ccccc2Br)CC[N@@H+]1C ZINC000123301038 551305158 /nfs/dbraw/zinc/30/51/58/551305158.db2.gz VFAKPWXXJNMKOH-HOCLYGCPSA-N 1 0 382.346 2.822 20 0 GFADRO C[NH+](C)C1(CNC(=O)c2ccc(Cl)cc2Br)CCOCC1 ZINC000123402921 551306634 /nfs/dbraw/zinc/30/66/34/551306634.db2.gz LTMKYMQCWNZCBP-UHFFFAOYSA-N 1 0 375.694 2.943 20 0 GFADRO Cc1ccc(NC(=O)C(=O)NCC[NH+]2CCC(C)CC2)cc1Br ZINC000123827384 551308668 /nfs/dbraw/zinc/30/86/68/551308668.db2.gz SJJHGSYWKVVPFU-UHFFFAOYSA-N 1 0 382.302 2.544 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)C(=O)NCC[NH+]1CCCCCC1 ZINC000123894381 551309837 /nfs/dbraw/zinc/30/98/37/551309837.db2.gz URDJGOJNGIEBJC-UHFFFAOYSA-N 1 0 382.302 2.688 20 0 GFADRO O=C(NCC[NH2+]Cc1ccc(Br)c(Br)c1)C1CC1 ZINC000124493351 551315187 /nfs/dbraw/zinc/31/51/87/551315187.db2.gz NUOLQPASASZUPG-UHFFFAOYSA-N 1 0 376.092 2.827 20 0 GFADRO C[C@@H]1C[NH2+]CCN1C(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000124653143 551316018 /nfs/dbraw/zinc/31/60/18/551316018.db2.gz UHRXRRFZTQWPOS-TZMCWYRMSA-N 1 0 384.307 2.666 20 0 GFADRO C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]C[C@]1(CCO)CCOC1 ZINC000125757853 551324018 /nfs/dbraw/zinc/32/40/18/551324018.db2.gz AMRBRPHKDAAPTP-GUYCJALGSA-N 1 0 385.302 2.545 20 0 GFADRO CN([C@H]1CCC[N@H+](C)C1)S(=O)(=O)Cc1ccc(Cl)cc1Br ZINC000127345856 551340467 /nfs/dbraw/zinc/34/04/67/551340467.db2.gz STVPCPMKJQALHT-ZDUSSCGKSA-N 1 0 395.750 2.958 20 0 GFADRO COc1ccc(I)c(NC(=O)NCC[C@H]2CCC[NH2+]2)c1 ZINC000415077605 563758839 /nfs/dbraw/zinc/75/88/39/563758839.db2.gz UGRMQCHTXGYSBV-SNVBAGLBSA-N 1 0 389.237 2.563 20 0 GFADRO Cc1c(Br)cccc1C(=O)N[C@@H](CC(C)C)C(=O)NCC[NH+](C)C ZINC000128108894 551346667 /nfs/dbraw/zinc/34/66/67/551346667.db2.gz PPCFDBGEBKJETO-INIZCTEOSA-N 1 0 398.345 2.580 20 0 GFADRO C[NH2+][C@@H]1CCN(S(=O)(=O)c2c(Cl)cc(Br)cc2Cl)C1 ZINC000128963639 551353976 /nfs/dbraw/zinc/35/39/76/551353976.db2.gz IRXFUNGJIFDTKA-MRVPVSSYSA-N 1 0 388.114 2.738 20 0 GFADRO COCC[N@H+](C)CCCC1CCN(C(=O)c2cc(Br)c[nH]2)CC1 ZINC000129606383 551358292 /nfs/dbraw/zinc/35/82/92/551358292.db2.gz XORVRQKLXQVFDX-UHFFFAOYSA-N 1 0 386.334 2.988 20 0 GFADRO O=C(NC[C@@H]1CCC[NH2+]C1)[C@@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 ZINC000129749167 551359749 /nfs/dbraw/zinc/35/97/49/551359749.db2.gz VVOQUSSYQNHLKE-WBMJQRKESA-N 1 0 384.307 2.714 20 0 GFADRO CCc1cnc(C[NH2+]C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)s1 ZINC000130489583 551365487 /nfs/dbraw/zinc/36/54/87/551365487.db2.gz MZFHZPATUJEUEK-UHFFFAOYSA-N 1 0 379.551 2.957 20 0 GFADRO C[C@@]1(n2cc(C[NH2+][C@@H]3CCCC[C@@H]3C(F)(F)F)cn2)CCS(=O)(=O)C1 ZINC000130532794 551365940 /nfs/dbraw/zinc/36/59/40/551365940.db2.gz ZMOMLSIMKMFTOQ-RRFJBIMHSA-N 1 0 379.448 2.628 20 0 GFADRO CC[NH+]1CCN(CCNC(=O)[C@H](C)Sc2nc3ccccc3s2)CC1 ZINC000130560112 551366465 /nfs/dbraw/zinc/36/64/65/551366465.db2.gz GGMLTOWORWKMOD-AWEZNQCLSA-N 1 0 378.567 2.531 20 0 GFADRO COc1cc(Br)ccc1CCCNC(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000130567044 551366487 /nfs/dbraw/zinc/36/64/87/551366487.db2.gz IXJBTGMKIJLTCO-AWEZNQCLSA-N 1 0 398.345 2.983 20 0 GFADRO NC(=O)[C@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000130668357 551367664 /nfs/dbraw/zinc/36/76/64/551367664.db2.gz FNIKONNGPHELPL-GXFFZTMASA-N 1 0 377.794 2.931 20 0 GFADRO COc1ccc(C[NH2+]C[C@@H](O)COc2ccccc2Br)cc1OC ZINC000131018561 551370851 /nfs/dbraw/zinc/37/08/51/551370851.db2.gz SHFPRXRFYMCZIR-CQSZACIVSA-N 1 0 396.281 2.996 20 0 GFADRO C[NH+](C)[C@@H]1CCCN(C(=O)c2ccnc(Cl)c2I)C1 ZINC000131466027 551374424 /nfs/dbraw/zinc/37/44/24/551374424.db2.gz NSXHQGDPFGSTKB-SECBINFHSA-N 1 0 393.656 2.506 20 0 GFADRO CCn1nccc1C[N@@H+]1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000131799243 551375966 /nfs/dbraw/zinc/37/59/66/551375966.db2.gz JJWGHXYHYPYBBS-ZDUSSCGKSA-N 1 0 392.301 2.911 20 0 GFADRO C[NH2+][C@H]1CCCN(C(=O)c2cc(I)ccc2Cl)C1 ZINC000133431929 551382880 /nfs/dbraw/zinc/38/28/80/551382880.db2.gz CKJYCCLVNJTGGR-JTQLQIEISA-N 1 0 378.641 2.769 20 0 GFADRO CC(=O)N(C)C1CCN(CC(=O)NCCc2cccc(Cl)c2Cl)CC1 ZINC000143575585 551395366 /nfs/dbraw/zinc/39/53/66/551395366.db2.gz KMJDBFQMSDVVAZ-UHFFFAOYSA-N 1 0 386.323 2.595 20 0 GFADRO O=S(=O)(c1ccc(Br)s1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000146245380 551397340 /nfs/dbraw/zinc/39/73/40/551397340.db2.gz RDDITWQYZMYVAC-LLVKDONJSA-N 1 0 379.345 2.760 20 0 GFADRO CCO[C@H](CC[NH+](C)C)CNS(=O)(=O)c1cc(Cl)c(OC)cc1Cl ZINC000150873369 551403079 /nfs/dbraw/zinc/40/30/79/551403079.db2.gz DZQOLGHVQCWSOB-LLVKDONJSA-N 1 0 399.340 2.637 20 0 GFADRO O=S(=O)(C1CC1)N1CCC([NH2+]Cc2ccc(CSC(F)F)o2)CC1 ZINC000151266990 551410486 /nfs/dbraw/zinc/41/04/86/551410486.db2.gz JVBFMPWVVSFOPH-UHFFFAOYSA-N 1 0 380.482 2.782 20 0 GFADRO O[C@@H](COc1cc(Cl)ccc1Cl)CN1CCN(c2cc[nH+]cc2)CC1 ZINC000151299092 551410827 /nfs/dbraw/zinc/41/08/27/551410827.db2.gz IEMGAEBFRYQSPN-MRXNPFEDSA-N 1 0 382.291 2.950 20 0 GFADRO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CCCN1CCC(O)CC1 ZINC000151376597 551412512 /nfs/dbraw/zinc/41/25/12/551412512.db2.gz GFPPDAGWRBPCQW-CQSZACIVSA-N 1 0 398.345 2.603 20 0 GFADRO CC[N@H+](CC(=O)NC[C@@H]1CCN(c2cccc(Br)c2)C1)C1CC1 ZINC000151708995 551419833 /nfs/dbraw/zinc/41/98/33/551419833.db2.gz YUVNOPSYTWEQNQ-AWEZNQCLSA-N 1 0 380.330 2.876 20 0 GFADRO C[NH+](C)CC1CCC(NS(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000151809137 551421494 /nfs/dbraw/zinc/42/14/94/551421494.db2.gz BOGUFDZARACZQH-UHFFFAOYSA-N 1 0 375.332 2.848 20 0 GFADRO CC(C)[NH2+]CCCNC(=O)CCC[S@@](=O)c1ccc(Br)cc1 ZINC000151830708 551422054 /nfs/dbraw/zinc/42/20/54/551422054.db2.gz ZIVMEKICWUKSHU-QFIPXVFZSA-N 1 0 389.359 2.841 20 0 GFADRO C[NH+]1CCC(CCNC(=O)c2c(F)cccc2I)CC1 ZINC000151988338 551424458 /nfs/dbraw/zinc/42/44/58/551424458.db2.gz XMQJXQLWJILFGU-UHFFFAOYSA-N 1 0 390.240 2.892 20 0 GFADRO C[C@H](Cc1ccsc1)[NH2+]Cc1ccc(S(=O)(=O)N2CCOCC2)s1 ZINC000152136208 551427001 /nfs/dbraw/zinc/42/70/01/551427001.db2.gz ORGFSAXVKQBVOT-CYBMUJFWSA-N 1 0 386.564 2.551 20 0 GFADRO COC1CC[NH+](CCNC(=O)c2c[nH]c3cccc(Br)c23)CC1 ZINC000152335349 551430854 /nfs/dbraw/zinc/43/08/54/551430854.db2.gz XWRDCKSHJUPUAT-UHFFFAOYSA-N 1 0 380.286 2.771 20 0 GFADRO COC(=O)c1cccc(CC[NH2+][C@@H](C(N)=O)c2cccc(Br)c2)c1 ZINC000152696336 551438425 /nfs/dbraw/zinc/43/84/25/551438425.db2.gz PFNIHRQGPRKFFU-MRXNPFEDSA-N 1 0 391.265 2.594 20 0 GFADRO C[C@@H]1CCC[N@@H+]1C1CCN(C(=O)c2sccc2S(=O)(=O)C(F)F)CC1 ZINC000152800837 551440191 /nfs/dbraw/zinc/44/01/91/551440191.db2.gz RWCNAYKDGMXKPW-LLVKDONJSA-N 1 0 392.493 2.833 20 0 GFADRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2S(=O)(=O)c2cc(C(F)(F)F)ccc2F)C1 ZINC000152871812 551441827 /nfs/dbraw/zinc/44/18/27/551441827.db2.gz XMAQQINZGPDLHT-BXUZGUMPSA-N 1 0 380.407 2.949 20 0 GFADRO CC[C@H]([NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1)c1ccc(Br)cc1 ZINC000152894428 551442295 /nfs/dbraw/zinc/44/22/95/551442295.db2.gz JDDUEBUTALDALO-WFASDCNBSA-N 1 0 375.332 2.771 20 0 GFADRO O[C@H](CN1CCN(Cc2ccncc2)CC1)c1cccc(Br)c1 ZINC000153217123 551448624 /nfs/dbraw/zinc/44/86/24/551448624.db2.gz CWNADDBBVKLKAJ-GOSISDBHSA-N 1 0 376.298 2.695 20 0 GFADRO C[NH+](C)CCN(Cc1cccc(O)c1)C(=O)c1ccncc1Br ZINC000153607024 551456418 /nfs/dbraw/zinc/45/64/18/551456418.db2.gz ZNLZTCMBKVEIJV-UHFFFAOYSA-N 1 0 378.270 2.754 20 0 GFADRO CSC[C@@](C)(O)C[NH2+][C@H](C)CC(=O)Nc1cccc(Br)c1 ZINC000153620959 551457049 /nfs/dbraw/zinc/45/70/49/551457049.db2.gz WEAILVUDMUXEGS-ABAIWWIYSA-N 1 0 375.332 2.870 20 0 GFADRO C[C@@H](CNC(=O)NC[C@@](C)(O)c1cccs1)N1CCc2sccc2C1 ZINC000153618146 551457115 /nfs/dbraw/zinc/45/71/15/551457115.db2.gz DGQPNPMUWZYWGJ-SCLBCKFNSA-N 1 0 379.551 2.763 20 0 GFADRO CC1CC[NH+](CCN2CCN(C(=O)c3ccc(Br)cc3)CC2)CC1 ZINC000153702322 551458714 /nfs/dbraw/zinc/45/87/14/551458714.db2.gz JHYYNOWWGALJAJ-UHFFFAOYSA-N 1 0 394.357 2.939 20 0 GFADRO CC(C)c1cc(Br)ccc1NC(=O)C(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000153750799 551460235 /nfs/dbraw/zinc/46/02/35/551460235.db2.gz BGWZMZZFXDWPEO-ZDUSSCGKSA-N 1 0 396.329 2.969 20 0 GFADRO C[C@@H]1CN(C(=O)c2ccc(Cl)c(I)c2)C[C@@H](C)[NH2+]1 ZINC000154190968 551469562 /nfs/dbraw/zinc/46/95/62/551469562.db2.gz AKVJNOCWXVONOK-RKDXNWHRSA-N 1 0 378.641 2.767 20 0 GFADRO C[C@H](CS(C)(=O)=O)N(C)Cc1ccnc(-c2ccc(Br)cc2)n1 ZINC000154245580 551470369 /nfs/dbraw/zinc/47/03/69/551470369.db2.gz WSCHTWRLQRAXCR-GFCCVEGCSA-N 1 0 398.326 2.771 20 0 GFADRO C[NH+](C)CCCNC(=O)C(=O)Nc1cccc(Cl)c1SCC(F)F ZINC000154425489 551475004 /nfs/dbraw/zinc/47/50/04/551475004.db2.gz SMEJDLQQMDHALB-UHFFFAOYSA-N 1 0 379.860 2.704 20 0 GFADRO C[C@@H](Cc1ccc(Br)cc1)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000154577501 551478390 /nfs/dbraw/zinc/47/83/90/551478390.db2.gz CUDIKEPBTGSTQC-HNNXBMFYSA-N 1 0 395.341 2.951 20 0 GFADRO CN(CC[NH+](C)C)C(=O)C(=O)Nc1cc(Cl)ccc1SCC(F)(F)F ZINC000154750577 551482306 /nfs/dbraw/zinc/48/23/06/551482306.db2.gz UVAODYYMJBZNBF-UHFFFAOYSA-N 1 0 397.850 2.953 20 0 GFADRO C[C@@H]1C[N@@H+](C)C[C@H](C)N1C(=O)C1CCN(C(=O)c2ccc(Cl)s2)CC1 ZINC000155037797 551489094 /nfs/dbraw/zinc/48/90/94/551489094.db2.gz SNJUGAOPDNFPBC-BETUJISGSA-N 1 0 383.945 2.805 20 0 GFADRO C[C@@H]1C[NH+](C)C[C@@H](C)N1C(=O)C1CCN(C(=O)c2ccc(Cl)s2)CC1 ZINC000155038023 551489673 /nfs/dbraw/zinc/48/96/73/551489673.db2.gz SNJUGAOPDNFPBC-CHWSQXEVSA-N 1 0 383.945 2.805 20 0 GFADRO C[C@@H](NC(=O)[C@H](C)NC(=O)c1ccc(Br)cc1)C(C)(C)C[NH+](C)C ZINC000155064365 551490166 /nfs/dbraw/zinc/49/01/66/551490166.db2.gz CPQJLAZSRRRFEJ-QWHCGFSZSA-N 1 0 398.345 2.660 20 0 GFADRO O=C(CC[NH+]1CCC(OCCCO)CC1)Nc1cccc(Br)c1 ZINC000155067826 551490634 /nfs/dbraw/zinc/49/06/34/551490634.db2.gz YWOHDNWXZSXAFM-UHFFFAOYSA-N 1 0 385.302 2.641 20 0 GFADRO CCC[NH+]1CCC(NS(=O)(=O)c2cc(F)ccc2Br)CC1 ZINC000155148886 551492738 /nfs/dbraw/zinc/49/27/38/551492738.db2.gz ZPIGMLKFIOXSGI-UHFFFAOYSA-N 1 0 379.295 2.741 20 0 GFADRO Cc1nn(-c2ccc(C(=O)N3CC[NH2+][C@H](C)C3)cc2)c(C)c1Br ZINC000155210387 551494582 /nfs/dbraw/zinc/49/45/82/551494582.db2.gz DWZIYYXIJYYEKV-LLVKDONJSA-N 1 0 377.286 2.686 20 0 GFADRO O=C(NC[C@@H](O)c1cc(Cl)cc(Cl)c1)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC000155431113 551499373 /nfs/dbraw/zinc/49/93/73/551499373.db2.gz MOESOFZDWNQCMW-DLBZAZTESA-N 1 0 387.307 2.786 20 0 GFADRO CC(C)OC[C@@H](O)C[NH+]1CCC(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000155448103 551499977 /nfs/dbraw/zinc/49/99/77/551499977.db2.gz SFBRHTGWFPQVHO-KRWDZBQOSA-N 1 0 399.329 2.886 20 0 GFADRO O[C@@H](COc1cc(Cl)ccc1Cl)C[NH+]1CCC(Cn2ccnn2)CC1 ZINC000155676382 551505154 /nfs/dbraw/zinc/50/51/54/551505154.db2.gz HYHPONFYXYPROK-OAHLLOKOSA-N 1 0 385.295 2.737 20 0 GFADRO C[C@@H](Cc1ccc(Br)cc1)C(=O)NCCC[NH+]1CCC(O)CC1 ZINC000155657185 551505200 /nfs/dbraw/zinc/50/52/00/551505200.db2.gz VKLZWGLNQWFREA-AWEZNQCLSA-N 1 0 383.330 2.591 20 0 GFADRO O[C@H](COc1cc(Cl)ccc1Cl)C[NH+]1CCC(Cn2ccnn2)CC1 ZINC000155676499 551505694 /nfs/dbraw/zinc/50/56/94/551505694.db2.gz HYHPONFYXYPROK-HNNXBMFYSA-N 1 0 385.295 2.737 20 0 GFADRO O=C(C[NH+]1CCC(OCc2ccc(Cl)c(Cl)c2)CC1)N1CCOCC1 ZINC000155718619 551506337 /nfs/dbraw/zinc/50/63/37/551506337.db2.gz QUPLOHHPHAZJIF-UHFFFAOYSA-N 1 0 387.307 2.833 20 0 GFADRO CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000155768138 551507453 /nfs/dbraw/zinc/50/74/53/551507453.db2.gz XJGNIYWBIGIHNZ-NDMJEZRESA-N 1 0 378.826 2.822 20 0 GFADRO Cc1cccc(S(=O)(=O)CCC[NH2+][C@@H](C[S@@](C)=O)c2ccccc2)c1 ZINC000155814436 551508085 /nfs/dbraw/zinc/50/80/85/551508085.db2.gz FPOKIJBDZLPWLI-CYFREDJKSA-N 1 0 379.547 2.868 20 0 GFADRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)CNC(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000156012570 551512875 /nfs/dbraw/zinc/51/28/75/551512875.db2.gz QRNFMRCENOEIMV-CYBMUJFWSA-N 1 0 386.323 2.960 20 0 GFADRO CNS(=O)(=O)[C@H]1CCN([C@@H](C)c2nc(C)c(-c3ccc(Cl)cc3)o2)C1 ZINC000156145443 551515423 /nfs/dbraw/zinc/51/54/23/551515423.db2.gz LQDFDPGBNSYUFZ-WFASDCNBSA-N 1 0 383.901 2.988 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2cc(F)ccc2Br)[C@H](C)C1 ZINC000156347796 551520728 /nfs/dbraw/zinc/52/07/28/551520728.db2.gz YVSXASFFOXIUKO-RISCZKNCSA-N 1 0 393.322 2.939 20 0 GFADRO CC[NH+](CC)C[C@@H]1CCN(S(=O)(=O)c2cc(F)ccc2Br)C1 ZINC000156463044 551523340 /nfs/dbraw/zinc/52/33/40/551523340.db2.gz MSFSZIOZZXIMIE-LBPRGKRZSA-N 1 0 393.322 2.941 20 0 GFADRO CC(=O)N1CC[C@@H](C[N@H+](C)CC[S@@](=O)c2cc(Cl)ccc2Cl)C1 ZINC000156658031 551526409 /nfs/dbraw/zinc/52/64/09/551526409.db2.gz AHCZUUIFDWOUKH-NPMABZOXSA-N 1 0 377.337 2.901 20 0 GFADRO CC(C)N(CC[NH+](C)C)C(=O)c1c(F)cccc1I ZINC000156787551 551527773 /nfs/dbraw/zinc/52/77/73/551527773.db2.gz QKZBYCWLZAXWKB-UHFFFAOYSA-N 1 0 378.229 2.843 20 0 GFADRO Cc1cccc(S(=O)(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)c1Br ZINC000156911636 551530823 /nfs/dbraw/zinc/53/08/23/551530823.db2.gz CIZRCJOBSWYKOA-KGLIPLIRSA-N 1 0 387.343 2.862 20 0 GFADRO Cc1sc(C(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)cc1CS(C)(=O)=O ZINC000156977446 551531667 /nfs/dbraw/zinc/53/16/67/551531667.db2.gz DTYCQMBCRFGXFT-INIZCTEOSA-N 1 0 384.567 2.692 20 0 GFADRO C[NH+]1CCN(CCNC(=O)c2ccc3cc(Br)ccc3c2)CC1 ZINC000157308752 551536598 /nfs/dbraw/zinc/53/65/98/551536598.db2.gz JDJSLCXJGBXJNM-UHFFFAOYSA-N 1 0 376.298 2.580 20 0 GFADRO O=C(NCc1ccccc1C[N@H+]1CC[C@H](O)C1)c1cc(Cl)ncc1Cl ZINC000157573264 551539996 /nfs/dbraw/zinc/53/99/96/551539996.db2.gz FJAPVVQFXGKASH-AWEZNQCLSA-N 1 0 380.275 2.885 20 0 GFADRO CC[NH+](CC)[C@@H]1CCN(C(=O)c2ccc(F)c(I)c2)C1 ZINC000158104615 551546762 /nfs/dbraw/zinc/54/67/62/551546762.db2.gz OAFFDZLSSGJLJA-GFCCVEGCSA-N 1 0 390.240 2.987 20 0 GFADRO C[NH+](C)C(C)(C)CNC(=O)c1cc(F)c(F)cc1I ZINC000158154184 551547149 /nfs/dbraw/zinc/54/71/49/551547149.db2.gz DXTRCWGJXKMQEN-UHFFFAOYSA-N 1 0 382.192 2.639 20 0 GFADRO CCOc1cc(Br)c(CC(=O)N2CC([NH+](C)C)C2)cc1OCC ZINC000158262209 551549052 /nfs/dbraw/zinc/54/90/52/551549052.db2.gz ZYOIDXZRKNDGTH-UHFFFAOYSA-N 1 0 385.302 2.561 20 0 GFADRO Cc1cc(S(=O)(=O)NCC[NH2+]Cc2cc(F)c(F)c(F)c2)c(C)s1 ZINC000158370425 551551070 /nfs/dbraw/zinc/55/10/70/551551070.db2.gz IXTNGDYLCHAJDB-UHFFFAOYSA-N 1 0 378.441 2.850 20 0 GFADRO CC(C)[C@H](C(=O)N1CCN(Cc2ccc(Br)s2)CC1)[NH+](C)C ZINC000158483822 551552364 /nfs/dbraw/zinc/55/23/64/551552364.db2.gz ZGFPEYVQQUYPOY-OAHLLOKOSA-N 1 0 388.375 2.741 20 0 GFADRO COC(=O)c1cc(Cl)ccc1S(=O)(=O)NCC[NH+](C(C)C)C(C)C ZINC000158690744 551554763 /nfs/dbraw/zinc/55/47/63/551554763.db2.gz OYTNOSPMLKCYLF-UHFFFAOYSA-N 1 0 376.906 2.524 20 0 GFADRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 ZINC000158832494 551557452 /nfs/dbraw/zinc/55/74/52/551557452.db2.gz BXZXYORXJYVRTH-HOTGVXAUSA-N 1 0 385.961 2.519 20 0 GFADRO C[C@@H](C[S@@](C)=O)N(C)C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000158830068 551557520 /nfs/dbraw/zinc/55/75/20/551557520.db2.gz YSFMWFMWJAQYJN-MQNRADLISA-N 1 0 383.583 2.509 20 0 GFADRO C[NH2+]C[C@H]1CCCN(C(=O)c2[nH]nc(-c3ccccc3)c2Br)C1 ZINC000159098853 551560710 /nfs/dbraw/zinc/56/07/10/551560710.db2.gz LFUYGCDNEQGUMU-GFCCVEGCSA-N 1 0 377.286 2.911 20 0 GFADRO C[C@@H](C[NH3+])CNC(=O)Nc1cc(Br)cnc1OCC(F)(F)F ZINC000415180668 563761820 /nfs/dbraw/zinc/76/18/20/563761820.db2.gz WUBWQUBQJCSBJB-ZETCQYMHSA-N 1 0 385.184 2.502 20 0 GFADRO CC[NH+]1CCC(N[C@@H](C)c2ccc(S(=O)(=O)C(F)F)c(OC)c2)CC1 ZINC000159297806 551562938 /nfs/dbraw/zinc/56/29/38/551562938.db2.gz UCYYARWGJWEXGU-LBPRGKRZSA-N 1 0 376.469 2.826 20 0 GFADRO C[NH+](C)C[C@](C)(O)CNC(=O)c1cc(Br)cc(C(F)(F)F)c1 ZINC000161529390 551595645 /nfs/dbraw/zinc/59/56/45/551595645.db2.gz KUBPFNGMKQYOAO-CYBMUJFWSA-N 1 0 383.208 2.510 20 0 GFADRO CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000161586171 551596088 /nfs/dbraw/zinc/59/60/88/551596088.db2.gz BVLHOCQWVBQJGO-XEZPLFJOSA-N 1 0 383.945 2.578 20 0 GFADRO O=S(=O)(Cc1cc(Cl)cc(Cl)c1)NCCCC[N@H+]1CCC[C@@H]1CO ZINC000161701203 551597534 /nfs/dbraw/zinc/59/75/34/551597534.db2.gz HDGASNGTAFCQAZ-MRXNPFEDSA-N 1 0 395.352 2.650 20 0 GFADRO O=S(=O)(NCCCC[N@H+]1CCC[C@@H]1CO)c1cc(Cl)cc(Cl)c1 ZINC000161723970 551597886 /nfs/dbraw/zinc/59/78/86/551597886.db2.gz XGUCGQKRTHSDRS-CQSZACIVSA-N 1 0 381.325 2.509 20 0 GFADRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)[C@@H]1CSCN1C(=O)c1ccc(Cl)cc1 ZINC000162027760 551602443 /nfs/dbraw/zinc/60/24/43/551602443.db2.gz BZUWCKRBCRKWAH-HOTGVXAUSA-N 1 0 383.945 2.687 20 0 GFADRO C[C@H]1C[C@H](N(C)S(=O)(=O)c2cc(F)c(Br)cc2F)CC[N@@H+]1C ZINC000162708015 551612056 /nfs/dbraw/zinc/61/20/56/551612056.db2.gz WMIVOSFIORRPJT-VHSXEESVSA-N 1 0 397.285 2.831 20 0 GFADRO CCCC[C@H](C[NH3+])NC(=O)c1cc(S(=O)(=O)N(CC)CC)ccc1Cl ZINC000162725265 551612233 /nfs/dbraw/zinc/61/22/33/551612233.db2.gz VWYRKQXSUMFUKO-CYBMUJFWSA-N 1 0 389.949 2.618 20 0 GFADRO Cc1cc(I)ccc1NC(=O)C[NH2+][C@H](C)[C@H]1CCOC1 ZINC000162868666 551613807 /nfs/dbraw/zinc/61/38/07/551613807.db2.gz ILUOVKFVIUYTCM-NEPJUHHUSA-N 1 0 388.249 2.553 20 0 GFADRO O=C(c1cncc(I)c1)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000162940895 551614384 /nfs/dbraw/zinc/61/43/84/551614384.db2.gz YSAJXGHAANPYLB-OAHLLOKOSA-N 1 0 399.276 2.777 20 0 GFADRO COCCNS(=O)(=O)c1ccc(C[NH2+][C@@H]2CCCc3sccc32)cc1 ZINC000162927503 551614701 /nfs/dbraw/zinc/61/47/01/551614701.db2.gz BFAOAMHZEMREEI-QGZVFWFLSA-N 1 0 380.535 2.840 20 0 GFADRO COCCC[N@H+](C)CCNC(=O)CSc1cccc(Br)c1 ZINC000163624200 551621235 /nfs/dbraw/zinc/62/12/35/551621235.db2.gz SFUSEQJTDZAAHD-UHFFFAOYSA-N 1 0 375.332 2.626 20 0 GFADRO C[C@@H]([NH2+]CCNC(=O)c1ccccc1Cl)c1ccc(S(C)(=O)=O)cc1 ZINC000165526330 551629475 /nfs/dbraw/zinc/62/94/75/551629475.db2.gz CONUWKIFORDKLM-CYBMUJFWSA-N 1 0 380.897 2.824 20 0 GFADRO Cc1cc(N2CCC[C@@H]([NH2+]Cc3cncnc3)C2=O)ccc1Br ZINC000167186217 551632827 /nfs/dbraw/zinc/63/28/27/551632827.db2.gz GADDYRVOJIZARP-MRXNPFEDSA-N 1 0 375.270 2.833 20 0 GFADRO O=S(=O)(Cc1ccc(Cl)nc1)NCc1ccccc1C[NH+]1CCCC1 ZINC000170657226 551636999 /nfs/dbraw/zinc/63/69/99/551636999.db2.gz USISPDUOZBYZGD-UHFFFAOYSA-N 1 0 379.913 2.950 20 0 GFADRO Cc1c(Br)cccc1NC(=O)C(=O)N[C@@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000170704753 551638083 /nfs/dbraw/zinc/63/80/83/551638083.db2.gz LZNVSGCJGTXEJQ-STQMWFEESA-N 1 0 396.329 2.933 20 0 GFADRO C[C@@H](C(=O)N(C)CC(=O)Nc1ccc(Br)cn1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000170739915 551638921 /nfs/dbraw/zinc/63/89/21/551638921.db2.gz ULRHAIQFJAACMQ-XQQFMLRXSA-N 1 0 397.317 2.502 20 0 GFADRO C[NH+](C)[C@@H]1CCN(C(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CCCC2)C1 ZINC000170867418 551641718 /nfs/dbraw/zinc/64/17/18/551641718.db2.gz CGADCZNDASLFKI-OAHLLOKOSA-N 1 0 384.929 2.589 20 0 GFADRO C[NH+](C)CCNC(=O)c1cccc(CNC(=O)c2cc(Cl)c(Cl)[nH]2)c1 ZINC000171014775 551644777 /nfs/dbraw/zinc/64/47/77/551644777.db2.gz RWIONFDBEQRBTE-UHFFFAOYSA-N 1 0 383.279 2.543 20 0 GFADRO C[C@H](CNC(=O)CCCc1ccc(Br)s1)N1CC[NH+](C)CC1 ZINC000171136112 551647935 /nfs/dbraw/zinc/64/79/35/551647935.db2.gz YZVMCQKIDDWYOU-CYBMUJFWSA-N 1 0 388.375 2.585 20 0 GFADRO O=C(c1ccc(F)cc1I)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000171440868 551655557 /nfs/dbraw/zinc/65/55/57/551655557.db2.gz LRONEFWYSOSKHC-GFCCVEGCSA-N 1 0 388.224 2.741 20 0 GFADRO O=C(Cc1cc2c(cc1Br)OCCO2)NCCC[NH+]1CCCCC1 ZINC000171442335 551655676 /nfs/dbraw/zinc/65/56/76/551655676.db2.gz MKKQYBFNRQNFLY-UHFFFAOYSA-N 1 0 397.313 2.755 20 0 GFADRO O[C@@H](C[N@@H+]1CCC[C@H](c2nnc3n2CCC3)C1)c1cccc(Br)c1 ZINC000171620104 551659570 /nfs/dbraw/zinc/65/95/70/551659570.db2.gz UARKHQBIUWYLTM-HOCLYGCPSA-N 1 0 391.313 2.900 20 0 GFADRO C[NH+](C)[C@@H]1CCCN(C(=O)NCCC(=O)Nc2ccc(Br)cc2)C1 ZINC000171652386 551660323 /nfs/dbraw/zinc/66/03/23/551660323.db2.gz XFMSHXMKEAJHHM-OAHLLOKOSA-N 1 0 397.317 2.513 20 0 GFADRO COc1cc(Br)cc(C)c1NC(=O)N[C@@H](C)CN1CC[NH+](C)CC1 ZINC000171686171 551660875 /nfs/dbraw/zinc/66/08/75/551660875.db2.gz APVJWJBWWQQCEH-ZDUSSCGKSA-N 1 0 399.333 2.524 20 0 GFADRO Ic1ccc2ncnc(N3CC[NH+](C4CC4)CC3)c2c1 ZINC000172380786 551677782 /nfs/dbraw/zinc/67/77/82/551677782.db2.gz UHLOVKORZUWHBQ-UHFFFAOYSA-N 1 0 380.233 2.519 20 0 GFADRO COC[C@@H](C)CNC(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000172493388 551680425 /nfs/dbraw/zinc/68/04/25/551680425.db2.gz DEPLHXVBFPYJRL-AWEZNQCLSA-N 1 0 386.334 2.805 20 0 GFADRO NC(=O)[C@H](c1ccc(Br)cc1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000172585742 551682491 /nfs/dbraw/zinc/68/24/91/551682491.db2.gz FNBZJZCIQIWSNX-KRWDZBQOSA-N 1 0 380.330 2.926 20 0 GFADRO CC[NH+](CC)CCSCC(=O)Nc1cccc(S(=O)(=O)C(F)F)c1 ZINC000172754980 551686625 /nfs/dbraw/zinc/68/66/25/551686625.db2.gz ZLPZRYPKKDGARR-UHFFFAOYSA-N 1 0 380.482 2.696 20 0 GFADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1sc(C)c(Br)c1OC ZINC000173074424 551694939 /nfs/dbraw/zinc/69/49/39/551694939.db2.gz ITPQAMVCLAQAEQ-LLVKDONJSA-N 1 0 391.331 2.668 20 0 GFADRO Cc1cc(N2CC[C@@H](N(C)Cc3cc(Br)ccc3F)C2=O)n(C)n1 ZINC000173260939 552081643 /nfs/dbraw/zinc/08/16/43/552081643.db2.gz JSSONLIGMSHPGH-OAHLLOKOSA-N 1 0 395.276 2.867 20 0 GFADRO COCCC[N@H+](C)CCNC(=O)NCC1(c2ccccc2Br)CC1 ZINC000173317855 552082740 /nfs/dbraw/zinc/08/27/40/552082740.db2.gz BFYATUCNGHQGRU-UHFFFAOYSA-N 1 0 398.345 2.748 20 0 GFADRO O[C@@H](CN1CC[NH+](CCCOCC(F)(F)F)CC1)c1cccc(Cl)c1 ZINC000173570618 552088151 /nfs/dbraw/zinc/08/81/51/552088151.db2.gz JQBLHWRBHJDTRC-INIZCTEOSA-N 1 0 380.838 2.960 20 0 GFADRO Cc1c(Br)cccc1C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000173604274 552088975 /nfs/dbraw/zinc/08/89/75/552088975.db2.gz ICTPTUOYWINKEE-UHFFFAOYSA-N 1 0 381.314 2.942 20 0 GFADRO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NCCc1ccc(Br)cc1 ZINC000173661867 552090484 /nfs/dbraw/zinc/09/04/84/552090484.db2.gz ATURJRYYVJHQIV-QGZVFWFLSA-N 1 0 383.330 2.901 20 0 GFADRO O=C(CCc1cccc(Br)c1)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000174188907 552101912 /nfs/dbraw/zinc/10/19/12/552101912.db2.gz ZLKHXGRHWQZMCM-INIZCTEOSA-N 1 0 381.314 2.562 20 0 GFADRO C[C@H](Oc1cccc(Cl)c1Cl)C(=O)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000174210378 552102358 /nfs/dbraw/zinc/10/23/58/552102358.db2.gz CVORZKRKOPSRRB-UONOGXRCSA-N 1 0 387.307 2.941 20 0 GFADRO COc1ccc(Br)cc1S(=O)(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000175086284 552115224 /nfs/dbraw/zinc/11/52/24/552115224.db2.gz QKMUXVPNPIWJAM-QWHCGFSZSA-N 1 0 391.331 2.609 20 0 GFADRO CC1(C)CN(C(=O)CCc2nc(-c3cc(Br)cs3)no2)CC[NH2+]1 ZINC000175405727 552121167 /nfs/dbraw/zinc/12/11/67/552121167.db2.gz ZDAYTINMNWQFQX-UHFFFAOYSA-N 1 0 399.314 2.704 20 0 GFADRO CC(C)OCC[NH+]1CCC(NS(=O)(=O)c2cc(F)ccc2Cl)CC1 ZINC000175450873 552122494 /nfs/dbraw/zinc/12/24/94/552122494.db2.gz MJXLWTKAEODKHH-UHFFFAOYSA-N 1 0 378.897 2.647 20 0 GFADRO C[C@@H](NC(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccc(Br)cc1 ZINC000175565358 552125007 /nfs/dbraw/zinc/12/50/07/552125007.db2.gz ABRAPJXJNDEZTH-CABCVRRESA-N 1 0 396.329 2.874 20 0 GFADRO CCO[C@H](CC[NH+](C)C)CNC(=O)c1sc(C)c(Br)c1OC ZINC000176863193 552147980 /nfs/dbraw/zinc/14/79/80/552147980.db2.gz NMWBJUFFMFYLPR-LLVKDONJSA-N 1 0 393.347 2.914 20 0 GFADRO C[C@H]1C[C@H](NC(=O)c2cnn(-c3ccc(Br)cc3)c2)C[N@@H+]1C1CC1 ZINC000177165022 552150492 /nfs/dbraw/zinc/15/04/92/552150492.db2.gz MZDLQJFIZOHDJB-WFASDCNBSA-N 1 0 389.297 2.990 20 0 GFADRO CCS(=O)(=O)N(C)CCC[NH2+][C@@H](C)c1cc(Br)ccc1F ZINC000178073059 552163933 /nfs/dbraw/zinc/16/39/33/552163933.db2.gz LXXWMKIIGGNPGA-NSHDSACASA-N 1 0 381.311 2.910 20 0 GFADRO [NH3+]C1(C(=O)NCCSCCOc2cccc(Br)c2)CCCC1 ZINC000178120246 552164631 /nfs/dbraw/zinc/16/46/31/552164631.db2.gz GLPOKDOYEGTXAQ-UHFFFAOYSA-N 1 0 387.343 2.949 20 0 GFADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3cc4c(c(Br)c3)OCO4)CC[C@@H]21 ZINC000178574466 552172436 /nfs/dbraw/zinc/17/24/36/552172436.db2.gz IVDHYZRDDXSMAH-RISCZKNCSA-N 1 0 381.270 2.734 20 0 GFADRO C[C@H]([NH3+])C1CCN(C(=O)c2cc(F)c(F)cc2I)CC1 ZINC000178817400 552176120 /nfs/dbraw/zinc/17/61/20/552176120.db2.gz MSHJXIRVYIDLBF-QMMMGPOBSA-N 1 0 394.203 2.769 20 0 GFADRO O=C(CC1CC[NH2+]CC1)NC1CCN(Cc2ccc(Br)cc2)CC1 ZINC000178856480 552177224 /nfs/dbraw/zinc/17/72/24/552177224.db2.gz ICVSSWUAEDFFPX-UHFFFAOYSA-N 1 0 394.357 2.919 20 0 GFADRO C[C@H]([NH3+])C1CCN(C(=O)c2cnn(-c3ccc(Br)cc3)c2)CC1 ZINC000178859227 552177551 /nfs/dbraw/zinc/17/75/51/552177551.db2.gz SYGOXBFWQGYRTB-LBPRGKRZSA-N 1 0 377.286 2.834 20 0 GFADRO CCN(CC)C(=O)CN(C)Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000178862571 552177568 /nfs/dbraw/zinc/17/75/68/552177568.db2.gz JRNVRDBAXXEOSH-UHFFFAOYSA-N 1 0 379.302 2.935 20 0 GFADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)Cc2cc(Br)ccc2F)C1 ZINC000178889273 552178728 /nfs/dbraw/zinc/17/87/28/552178728.db2.gz JVGVGGDHRPZBKK-OAHLLOKOSA-N 1 0 387.293 2.604 20 0 GFADRO Cc1cc(S(=O)(=O)N2CCC([C@H](C)[NH3+])CC2)c(C)cc1Br ZINC000178923215 552179356 /nfs/dbraw/zinc/17/93/56/552179356.db2.gz FAXYNWOERQPLML-LBPRGKRZSA-N 1 0 375.332 2.814 20 0 GFADRO O=C(NC1CC[NH+](CC2CC2)CC1)[C@@H]1COc2ccc(Br)cc21 ZINC000179005545 552181755 /nfs/dbraw/zinc/18/17/55/552181755.db2.gz XWAHSBJKDMJHOJ-MRXNPFEDSA-N 1 0 379.298 2.916 20 0 GFADRO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)Nc1cc(F)c(Br)c(F)c1 ZINC000179812849 552203531 /nfs/dbraw/zinc/20/35/31/552203531.db2.gz LARKDZWWRJHZMF-SECBINFHSA-N 1 0 392.244 2.512 20 0 GFADRO O[C@]1(C(F)(F)F)CCN(Cc2cc(Br)c3c(c2)OCCO3)C1 ZINC000179865805 552205375 /nfs/dbraw/zinc/20/53/75/552205375.db2.gz QZDFTLIUVTZJHQ-CYBMUJFWSA-N 1 0 382.176 2.719 20 0 GFADRO C[C@H]([NH2+]CC(=O)Nc1ccccc1I)C1CCOCC1 ZINC000179856794 552205565 /nfs/dbraw/zinc/20/55/65/552205565.db2.gz QLPWVYMETYIUHX-NSHDSACASA-N 1 0 388.249 2.634 20 0 GFADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)Nc1ccc(Cl)c(OC(F)F)c1 ZINC000180147834 552214892 /nfs/dbraw/zinc/21/48/92/552214892.db2.gz QFFCCSWQBYQPGZ-LLVKDONJSA-N 1 0 376.835 2.699 20 0 GFADRO CCn1ccnc1[C@H](NC[C@@H](C)O)c1ccc(I)cc1 ZINC000180156173 552215599 /nfs/dbraw/zinc/21/55/99/552215599.db2.gz NGTKGCYWPLJJEL-BXUZGUMPSA-N 1 0 385.249 2.567 20 0 GFADRO CCSc1ccccc1[C@@H](C)[NH2+]CCS(=O)(=O)NC[C@H]1CCCCO1 ZINC000180742636 552234613 /nfs/dbraw/zinc/23/46/13/552234613.db2.gz BDQORXNGTYINBV-HZPDHXFCSA-N 1 0 386.583 2.938 20 0 GFADRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2cc(C(=O)OC)sc2C)cc1 ZINC000181053866 552244158 /nfs/dbraw/zinc/24/41/58/552244158.db2.gz JNBYUSDXMQMHEV-NSHDSACASA-N 1 0 382.507 2.602 20 0 GFADRO COc1ccc(C(=O)N2C[C@@H]([NH+](C)C)Cc3ccccc32)nc1Br ZINC000181090379 552246354 /nfs/dbraw/zinc/24/63/54/552246354.db2.gz MAQPGDDDJKVDOL-ZDUSSCGKSA-N 1 0 390.281 2.986 20 0 GFADRO COc1cc(C[NH2+]C2CCN(S(=O)(=O)CC(C)C)CC2)ccc1SC ZINC000181115691 552247002 /nfs/dbraw/zinc/24/70/02/552247002.db2.gz VAXJBNISUIUWNB-UHFFFAOYSA-N 1 0 386.583 2.957 20 0 GFADRO C[C@H](NC(=O)C[NH2+][C@@H](C)c1ccc(Br)cc1)C(=O)N1CCCCC1 ZINC000181129578 552247506 /nfs/dbraw/zinc/24/75/06/552247506.db2.gz GYWOVQKRMHCTIV-KBPBESRZSA-N 1 0 396.329 2.617 20 0 GFADRO CS(=O)(=O)CCOCC[NH2+][C@@H]1CCSc2ccc(Br)cc21 ZINC000181149001 552248433 /nfs/dbraw/zinc/24/84/33/552248433.db2.gz YFVUPDAXYPAGPI-CYBMUJFWSA-N 1 0 394.356 2.637 20 0 GFADRO COCc1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1ccc(OC)c(Br)c1)CC2 ZINC000181293826 552252413 /nfs/dbraw/zinc/25/24/13/552252413.db2.gz SRYAKTGHBIFLEM-WCQYABFASA-N 1 0 395.301 2.861 20 0 GFADRO COc1cc([C@H](C)[NH2+]CCOc2ncccc2Cl)ccc1S(C)(=O)=O ZINC000181322671 552252846 /nfs/dbraw/zinc/25/28/46/552252846.db2.gz QNWMVLWIQWTQAS-LBPRGKRZSA-N 1 0 384.885 2.877 20 0 GFADRO C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]C[C@H]1CCCS1(=O)=O ZINC000181378000 552254864 /nfs/dbraw/zinc/25/48/64/552254864.db2.gz RULARFWWEYKCNH-NWDGAFQWSA-N 1 0 378.416 2.589 20 0 GFADRO Cc1nn(C)c(NC(=O)NCC[NH+](C)C)c1-c1ccc(Br)cc1 ZINC000181640046 552263453 /nfs/dbraw/zinc/26/34/53/552263453.db2.gz UUQHFKNKRDZWPG-UHFFFAOYSA-N 1 0 380.290 2.841 20 0 GFADRO Cc1cccc(C[C@@H]([NH2+]C[C@@H](O)CS(=O)(=O)c2cccs2)C2CC2)c1 ZINC000181642196 552264026 /nfs/dbraw/zinc/26/40/26/552264026.db2.gz IAHWDEMMLFYHJC-QZTJIDSGSA-N 1 0 379.547 2.802 20 0 GFADRO C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCN(S(C)(=O)=O)C2)c2cccc(Br)c21 ZINC000181674447 552264661 /nfs/dbraw/zinc/26/46/61/552264661.db2.gz RAJOYFQFERDCQJ-XUJVJEKNSA-N 1 0 387.343 2.869 20 0 GFADRO CC[C@H]([NH2+]CCC(=O)N1CCN(C)CC1)c1cc(F)cc(Br)c1 ZINC000181686824 552265583 /nfs/dbraw/zinc/26/55/83/552265583.db2.gz QSGWZTUVCDVCLI-INIZCTEOSA-N 1 0 386.309 2.793 20 0 GFADRO CC[C@H]([NH2+]C[C@H]1CCCN1S(C)(=O)=O)c1cccc(Br)c1 ZINC000181694910 552265693 /nfs/dbraw/zinc/26/56/93/552265693.db2.gz PHYXWDKEUVCPCM-CABCVRRESA-N 1 0 375.332 2.914 20 0 GFADRO Cc1c([C@@H](C)[NH2+]CC2CCS(=O)(=O)CC2)nnn1-c1ccc(Cl)cc1 ZINC000181758806 552266893 /nfs/dbraw/zinc/26/68/93/552266893.db2.gz GURVVWXQBVIOHE-GFCCVEGCSA-N 1 0 382.917 2.705 20 0 GFADRO CSc1ccc(NC(=O)CN[C@H](CS(C)(=O)=O)c2ccccc2)cc1 ZINC000181795002 552267368 /nfs/dbraw/zinc/26/73/68/552267368.db2.gz ALLDMLVUTKOSQU-QGZVFWFLSA-N 1 0 378.519 2.723 20 0 GFADRO CS(=O)(=O)C[C@@H](NCC(=O)Nc1ccc(F)c(Cl)c1)c1ccccc1 ZINC000181769814 552267485 /nfs/dbraw/zinc/26/74/85/552267485.db2.gz RQSBRRQNPBZWHC-MRXNPFEDSA-N 1 0 384.860 2.793 20 0 GFADRO Cc1cc(Br)ccc1CC(=O)NC[C@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000181876499 552270023 /nfs/dbraw/zinc/27/00/23/552270023.db2.gz UAVNNZCEEWPKRU-GOSISDBHSA-N 1 0 396.373 2.688 20 0 GFADRO C[C@@H]([NH2+][C@@H](CC(N)=O)C1CCOCC1)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000181955846 552271768 /nfs/dbraw/zinc/27/17/68/552271768.db2.gz UKNDFMOPENGBGA-BMIGLBTASA-N 1 0 388.295 2.581 20 0 GFADRO CC(=O)Nc1ccc([C@@H](C)[NH2+]CCN(C)S(=O)(=O)c2cccs2)cc1 ZINC000182159113 552277145 /nfs/dbraw/zinc/27/71/45/552277145.db2.gz ZMEXTRLDZWOPFT-CYBMUJFWSA-N 1 0 381.523 2.678 20 0 GFADRO C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1cc2c(cc1Br)OCCCO2 ZINC000182221669 552278543 /nfs/dbraw/zinc/27/85/43/552278543.db2.gz HEHORFVETVVBJL-NWDGAFQWSA-N 1 0 383.286 2.696 20 0 GFADRO Cc1cc(NC(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)cnc1Br ZINC000182457237 552285085 /nfs/dbraw/zinc/28/50/85/552285085.db2.gz NMIXEMCZHVPSFZ-CQSZACIVSA-N 1 0 397.317 2.729 20 0 GFADRO COC(=O)c1cc(NC(=O)N2CC[C@H]([NH+]3CC=CC3)C2)ccc1Br ZINC000182633830 552289354 /nfs/dbraw/zinc/28/93/54/552289354.db2.gz KTZXDQQDDGYGLM-ZDUSSCGKSA-N 1 0 394.269 2.714 20 0 GFADRO CC[C@H]([NH2+]CC(=O)Nc1cccc(Cl)c1)c1cccc(S(N)(=O)=O)c1 ZINC000183019591 552298789 /nfs/dbraw/zinc/29/87/89/552298789.db2.gz LABVRWAKCKUSQW-INIZCTEOSA-N 1 0 381.885 2.667 20 0 GFADRO C[S@@](=O)C[C@@H]([NH2+]C[C@H](O)COCc1ccc(Cl)cc1)c1ccccc1 ZINC000183101959 552300460 /nfs/dbraw/zinc/30/04/60/552300460.db2.gz HVRZJWBRILYEOY-OSWQYVSFSA-N 1 0 381.925 2.927 20 0 GFADRO C[C@@H]([NH3+])C1CCN(S(=O)(=O)c2ccc(Br)c(Cl)c2)CC1 ZINC000183145674 552301424 /nfs/dbraw/zinc/30/14/24/552301424.db2.gz YBKZAQPIASNJDF-SECBINFHSA-N 1 0 381.723 2.850 20 0 GFADRO Cc1ccc(S(=O)(=O)CCC[NH2+][C@@H](C[S@@](C)=O)c2ccccc2)cc1 ZINC000183176571 552302243 /nfs/dbraw/zinc/30/22/43/552302243.db2.gz IPENPZYHHQQRHC-YADARESESA-N 1 0 379.547 2.868 20 0 GFADRO CC1(CNC(=O)c2[nH]nc(-c3ccccc3)c2Br)CC[NH2+]CC1 ZINC000183328376 552306174 /nfs/dbraw/zinc/30/61/74/552306174.db2.gz KULIWJLDYGSIAK-UHFFFAOYSA-N 1 0 377.286 2.959 20 0 GFADRO O[C@H]1CC[N@H+](Cc2ccccc2C[NH2+]Cc2cncc(Br)c2)C1 ZINC000183765627 552318797 /nfs/dbraw/zinc/31/87/97/552318797.db2.gz JSPNZYTXDIFYJO-SFHVURJKSA-N 1 0 376.298 2.701 20 0 GFADRO C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+]Cc1nnc2ccccn21 ZINC000183800405 552319794 /nfs/dbraw/zinc/31/97/94/552319794.db2.gz SAHMRIUFWWWHHW-LBPRGKRZSA-N 1 0 388.269 2.999 20 0 GFADRO Cc1cc(NC(=O)N[C@H](C)CC[NH+]2CCN(C)CC2)ccc1Br ZINC000183915395 552322522 /nfs/dbraw/zinc/32/25/22/552322522.db2.gz IPSSIYQQGFCXHY-CQSZACIVSA-N 1 0 383.334 2.905 20 0 GFADRO Cc1ccccc1OC[C@@H](O)C[NH2+][C@@H](CO)c1cccc(Br)c1 ZINC000183914182 552322585 /nfs/dbraw/zinc/32/25/85/552322585.db2.gz YGBAKLPHMGZRBE-IRXDYDNUSA-N 1 0 380.282 2.820 20 0 GFADRO C[C@@H](CC(=O)OC(C)(C)C)[NH2+]C[C@@H](O)COc1ccccc1Br ZINC000183909896 552322646 /nfs/dbraw/zinc/32/26/46/552322646.db2.gz YZOUMHYDHJYMRT-QWHCGFSZSA-N 1 0 388.302 2.899 20 0 GFADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)C[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000184065951 552326673 /nfs/dbraw/zinc/32/66/73/552326673.db2.gz QERUCFMOUKAPLR-GUYCJALGSA-N 1 0 388.339 2.559 20 0 GFADRO COc1cc(C[NH2+]C[C@@H](C)c2nc(C)cs2)cc(Cl)c1OCC(N)=O ZINC000184111407 552327259 /nfs/dbraw/zinc/32/72/59/552327259.db2.gz IXXOTCBDPAAXAA-SNVBAGLBSA-N 1 0 383.901 2.871 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)N[C@H](C)CC[NH+]1CCN(C)CC1 ZINC000184146555 552328649 /nfs/dbraw/zinc/32/86/49/552328649.db2.gz OQHDPIZQKJFUMP-CQSZACIVSA-N 1 0 383.334 2.905 20 0 GFADRO CN(CCC[NH+](C)C)C(=O)Nc1cc(Br)ccc1N1CCOCC1 ZINC000184250164 552330342 /nfs/dbraw/zinc/33/03/42/552330342.db2.gz HKYOOGFQBFXKHJ-UHFFFAOYSA-N 1 0 399.333 2.701 20 0 GFADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)[C@H](C)Oc1ccc(Cl)c(Cl)c1 ZINC000184406475 552335262 /nfs/dbraw/zinc/33/52/62/552335262.db2.gz MJVGMZPZASLOBI-KBPBESRZSA-N 1 0 388.339 2.903 20 0 GFADRO Cc1ccc(-n2nc(Br)cc2C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC000184961310 552349303 /nfs/dbraw/zinc/34/93/03/552349303.db2.gz ZSBHAVUKRZKBKS-NWANDNLSSA-N 1 0 389.297 2.753 20 0 GFADRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)c3[nH]nc(-c4ccccc4)c3Br)C[C@@H]12 ZINC000184960539 552349364 /nfs/dbraw/zinc/34/93/64/552349364.db2.gz QNWWMOIJXNQNDT-JHJVBQTASA-N 1 0 375.270 2.649 20 0 GFADRO Cc1nc(C(=O)N2C[C@H]3CC[C@@H]([NH3+])[C@@H]3C2)nn1-c1c(Cl)cccc1Cl ZINC000184979361 552349936 /nfs/dbraw/zinc/34/99/36/552349936.db2.gz HIYDRIMXNDNCFA-JTNHKYCSSA-N 1 0 380.279 2.692 20 0 GFADRO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]C[C@](C)(O)c2cccc(Cl)c2)cc1 ZINC000185308822 552360743 /nfs/dbraw/zinc/36/07/43/552360743.db2.gz RKEQVAZHAHAXCK-ACJLOTCBSA-N 1 0 382.913 2.806 20 0 GFADRO C[NH+]1CCN(CCC(C)(C)NS(=O)(=O)c2cccc(Cl)c2Cl)CC1 ZINC000185435078 552363251 /nfs/dbraw/zinc/36/32/51/552363251.db2.gz CAHFAWMPVORUPH-UHFFFAOYSA-N 1 0 394.368 2.688 20 0 GFADRO Cc1ccc(CCC(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)c(Br)c1 ZINC000185526277 552365067 /nfs/dbraw/zinc/36/50/67/552365067.db2.gz PGYKOSZMBZNZQK-MRXNPFEDSA-N 1 0 395.341 2.871 20 0 GFADRO Cc1sc(NC(=O)C[NH2+]C(C)(C)CC(N)=O)nc1-c1ccc(Cl)cc1 ZINC000186245446 552382716 /nfs/dbraw/zinc/38/27/16/552382716.db2.gz ULHBZPGUELCWOW-UHFFFAOYSA-N 1 0 380.901 2.954 20 0 GFADRO Cc1nn(C)c(OCC(F)(F)F)c1C[N@@H+]1CCSC2(CCOCC2)C1 ZINC000186489017 552389250 /nfs/dbraw/zinc/38/92/50/552389250.db2.gz KYKFAMXBPJZBNG-UHFFFAOYSA-N 1 0 379.448 2.768 20 0 GFADRO C[NH+](C)CCn1ccc(NC(=O)Nc2ccccc2I)n1 ZINC000186513693 552389589 /nfs/dbraw/zinc/38/95/89/552389589.db2.gz GNEBVJGJPCCKTF-UHFFFAOYSA-N 1 0 399.236 2.693 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc(Br)c(C)nc2OC)[C@H](C)C1 ZINC000186571059 552391280 /nfs/dbraw/zinc/39/12/80/552391280.db2.gz UPJVISHXJNUWHW-ABAIWWIYSA-N 1 0 384.318 2.963 20 0 GFADRO O=S(=O)(CCC[NH2+]Cc1cncc(Br)c1)Cc1ccccc1 ZINC000186596373 552392102 /nfs/dbraw/zinc/39/21/02/552392102.db2.gz ZIFSELQREQEOLG-UHFFFAOYSA-N 1 0 383.311 2.939 20 0 GFADRO Cc1c(C(=O)N[C@@H]2C[NH2+]CC[C@H]2C)cnn1-c1ccc(Br)cc1 ZINC000186823796 552398873 /nfs/dbraw/zinc/39/88/73/552398873.db2.gz OOTNFGFUOADTQV-BDJLRTHQSA-N 1 0 377.286 2.671 20 0 GFADRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)[C@@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1 ZINC000186875096 552400073 /nfs/dbraw/zinc/40/00/73/552400073.db2.gz GTSIPTBDOCCCDK-LYRGGWFBSA-N 1 0 384.307 2.712 20 0 GFADRO C[C@@H](Oc1ccc(Br)cc1)C(=O)N1CC[N@H+](CC(C)(C)O)C[C@@H]1C ZINC000186877507 552400204 /nfs/dbraw/zinc/40/02/04/552400204.db2.gz UWLVZGCQUWYDAN-UONOGXRCSA-N 1 0 399.329 2.520 20 0 GFADRO CC(C)n1cc(Br)cc1C(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C ZINC000186943424 552402313 /nfs/dbraw/zinc/40/23/13/552402313.db2.gz HTMPSHCQAPSCBG-CYBMUJFWSA-N 1 0 386.334 2.749 20 0 GFADRO CSc1ccccc1S(=O)(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000186987252 552403662 /nfs/dbraw/zinc/40/36/62/552403662.db2.gz HAPNMUVNZKGFEX-UHFFFAOYSA-N 1 0 380.535 2.827 20 0 GFADRO Cc1cc(C)c(NC(=O)N[C@H](C)CN2CC[NH+](C)CC2)cc1Br ZINC000187539652 552418094 /nfs/dbraw/zinc/41/80/94/552418094.db2.gz RQTKFOQCWUDDLY-CQSZACIVSA-N 1 0 383.334 2.823 20 0 GFADRO CCCCOCCN(C(=O)[C@H]1C[NH2+]CCO1)c1ccc(Br)cc1 ZINC000187817250 552424788 /nfs/dbraw/zinc/42/47/88/552424788.db2.gz DXNJONIXZJUNTK-MRXNPFEDSA-N 1 0 385.302 2.587 20 0 GFADRO O=C(NCc1c(F)cc(Br)cc1F)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000187875883 552427185 /nfs/dbraw/zinc/42/71/85/552427185.db2.gz RSHJDCMLFDHXPQ-GFCCVEGCSA-N 1 0 386.240 2.883 20 0 GFADRO CC[NH+](CC)CCCNC(=O)C(=O)Nc1cc(Br)c(C)cc1C ZINC000188047685 552432983 /nfs/dbraw/zinc/43/29/83/552432983.db2.gz GRYWSGIYXUNGTK-UHFFFAOYSA-N 1 0 384.318 2.853 20 0 GFADRO Cc1cc(Br)cc(NC(=O)C(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)c1 ZINC000188098931 552435286 /nfs/dbraw/zinc/43/52/86/552435286.db2.gz BMMQDAUMTFAGPY-CQSZACIVSA-N 1 0 396.329 2.933 20 0 GFADRO Cc1cc(Br)cc(NC(=O)C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)c1 ZINC000188124355 552436075 /nfs/dbraw/zinc/43/60/75/552436075.db2.gz QXLQNVQVICGFKL-ZFWWWQNUSA-N 1 0 382.302 2.685 20 0 GFADRO C[C@@H](C[NH+]1CCCCC1)NS(=O)(=O)c1cc(F)ccc1Br ZINC000188214556 552439066 /nfs/dbraw/zinc/43/90/66/552439066.db2.gz LSVPFKODPSODRR-NSHDSACASA-N 1 0 379.295 2.741 20 0 GFADRO C[C@@H]1C[N@@H+](C2CCN(C(=O)Nc3cccc(Br)n3)CC2)CCO1 ZINC000188560037 552448267 /nfs/dbraw/zinc/44/82/67/552448267.db2.gz HHZWHRRZQHBACL-GFCCVEGCSA-N 1 0 383.290 2.561 20 0 GFADRO C[C@@H]1CN(C(=O)COc2ccc(Cl)cc2Cl)CC[N@@H+]1CC(C)(C)O ZINC000188643739 552450639 /nfs/dbraw/zinc/45/06/39/552450639.db2.gz BOBDQMCAGKJTFK-GFCCVEGCSA-N 1 0 375.296 2.676 20 0 GFADRO C[C@@H]1CN(C(=O)c2cc3ccc(Br)cc3[nH]2)CC[N@@H+]1CC(C)(C)O ZINC000188648285 552450837 /nfs/dbraw/zinc/45/08/37/552450837.db2.gz QQQMAKYQXCIXIP-GFCCVEGCSA-N 1 0 394.313 2.848 20 0 GFADRO O=C(NCc1cccs1)c1cc(NC(=O)[C@H]2C[C@H](F)C[NH2+]2)ccc1Cl ZINC000188661627 552451529 /nfs/dbraw/zinc/45/15/29/552451529.db2.gz QFKFCMIVAAYPHD-ZUZCIYMTSA-N 1 0 381.860 2.970 20 0 GFADRO Cc1cc(Br)ccc1CNC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C ZINC000188690060 552452029 /nfs/dbraw/zinc/45/20/29/552452029.db2.gz AGGIAHVBIKVSIU-AWEZNQCLSA-N 1 0 398.345 2.744 20 0 GFADRO CC[C@@H](C)NC(=O)CC[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000188700194 552452749 /nfs/dbraw/zinc/45/27/49/552452749.db2.gz RDAVAHMZXBYXEG-CQSZACIVSA-N 1 0 398.345 2.680 20 0 GFADRO C[C@H]1CN(C(=O)c2[nH]c3ccccc3c2Br)CC[N@@H+]1CC(C)(C)O ZINC000188713804 552453250 /nfs/dbraw/zinc/45/32/50/552453250.db2.gz PMUQDMWCWAXNBA-LBPRGKRZSA-N 1 0 394.313 2.848 20 0 GFADRO C[NH+](C)C1(CNC(=O)N2CCc3cc(Br)ccc3C2)CCOCC1 ZINC000188945883 552459275 /nfs/dbraw/zinc/45/92/75/552459275.db2.gz VOPVMLLNQCPKEY-UHFFFAOYSA-N 1 0 396.329 2.628 20 0 GFADRO CC[NH+]1CCN(CCC(=O)N[C@H](C)c2ccc(Br)cc2OC)CC1 ZINC000189144311 552463916 /nfs/dbraw/zinc/46/39/16/552463916.db2.gz IKKIOEBFCVBQNV-CQSZACIVSA-N 1 0 398.345 2.663 20 0 GFADRO CCS[C@@H]1CCCC[C@H]1[NH2+]Cc1nnc2n1c1ccsc1c(=O)n2C ZINC000189483761 552472563 /nfs/dbraw/zinc/47/25/63/552472563.db2.gz SRLOPDZHRQKENO-DGCLKSJQSA-N 1 0 377.539 2.797 20 0 GFADRO C[C@@H](O)C[N@@H+]1CCN(CC(=O)Nc2cc(Cl)c(Cl)cc2Cl)[C@@H](C)C1 ZINC000189562918 552474547 /nfs/dbraw/zinc/47/45/47/552474547.db2.gz LZCJXSDTTDLDSV-WDEREUQCSA-N 1 0 394.730 2.972 20 0 GFADRO Cc1nc(-c2cc3c(s2)CCN(S(=O)(=O)CC[NH+]2CCCC2)C3)cs1 ZINC000189790872 552479833 /nfs/dbraw/zinc/47/98/33/552479833.db2.gz BPTAKPDNSQWUTK-UHFFFAOYSA-N 1 0 397.591 2.964 20 0 GFADRO O=C(Nc1ccc(C(F)(F)F)cc1Cl)C(=O)N1CC[NH+]2CCC1CC2 ZINC000189805873 552480555 /nfs/dbraw/zinc/48/05/55/552480555.db2.gz JWXNIOTZQZDXFY-UHFFFAOYSA-N 1 0 375.778 2.604 20 0 GFADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2ccsc2Cl)[C@H](C)C1 ZINC000189893294 552482359 /nfs/dbraw/zinc/48/23/59/552482359.db2.gz BFKRNBJDMQAWRH-OLZOCXBDSA-N 1 0 387.933 2.593 20 0 GFADRO C[C@H]1CN(C[C@H](O)COc2cc(Cl)ccc2Cl)CC[N@@H+]1CC(C)(C)O ZINC000189948658 552483195 /nfs/dbraw/zinc/48/31/95/552483195.db2.gz QKIPTONVISLMST-ZFWWWQNUSA-N 1 0 391.339 2.510 20 0 GFADRO O=C(Nc1cc(F)ccc1Br)C(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000190029763 552485488 /nfs/dbraw/zinc/48/54/88/552485488.db2.gz LPNGYHXDPNNJAM-ZDUSSCGKSA-N 1 0 398.276 2.614 20 0 GFADRO O=C(Nc1cc(Br)ccc1F)C(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000190035032 552485953 /nfs/dbraw/zinc/48/59/53/552485953.db2.gz DVBQPRUIXVRKJJ-ZDUSSCGKSA-N 1 0 398.276 2.614 20 0 GFADRO C[C@H]1CN(Cc2ccc(OC(F)F)c(Br)c2)CC[N@@H+]1CCO ZINC000190250739 552491282 /nfs/dbraw/zinc/49/12/82/552491282.db2.gz WVGFRHDQVRNJTI-NSHDSACASA-N 1 0 379.245 2.549 20 0 GFADRO C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)Nc2cc(Cl)c(F)c(Cl)c2)C1 ZINC000190310858 552492458 /nfs/dbraw/zinc/49/24/58/552492458.db2.gz RDQCVUNXFRJAGB-SNVBAGLBSA-N 1 0 376.259 2.919 20 0 GFADRO CCOc1ccc(NC(=O)CCN2CC[NH+](CC)CC2)cc1Br ZINC000190363819 552493720 /nfs/dbraw/zinc/49/37/20/552493720.db2.gz PJWQDFFVABKKJR-UHFFFAOYSA-N 1 0 384.318 2.814 20 0 GFADRO C[C@H]1CSCC[N@H+](CC(=O)NCc2cccc(OCC(F)(F)F)c2)C1 ZINC000190427378 552495769 /nfs/dbraw/zinc/49/57/69/552495769.db2.gz PCSSZRHVNBNICN-CYBMUJFWSA-N 1 0 376.444 2.929 20 0 GFADRO CC(=O)NCCC[N@@H+](C)Cc1cccc(Br)c1OC[C@@H]1CCCO1 ZINC000190509839 552499141 /nfs/dbraw/zinc/49/91/41/552499141.db2.gz PGNZQABVOOHNJD-INIZCTEOSA-N 1 0 399.329 2.965 20 0 GFADRO Cc1cc(NC(=O)C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)cc(C)c1Br ZINC000190605270 552502922 /nfs/dbraw/zinc/50/29/22/552502922.db2.gz UWZJOINLLLZXPW-DZGCQCFKSA-N 1 0 396.329 2.993 20 0 GFADRO CC[C@H]([NH2+]CC1CN(S(=O)(=O)CC)C1)c1cc(F)cc(Br)c1 ZINC000190670423 552505470 /nfs/dbraw/zinc/50/54/70/552505470.db2.gz BIUBYEHBKSLXLO-HNNXBMFYSA-N 1 0 393.322 2.910 20 0 GFADRO O=C(NCCCC[N@H+]1CCC[C@@H]1CO)C1(c2ccccc2Br)CC1 ZINC000190737289 552507353 /nfs/dbraw/zinc/50/73/53/552507353.db2.gz SAWPNIYKDLHHLU-OAHLLOKOSA-N 1 0 395.341 2.834 20 0 GFADRO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N(CC[NH+](C)C)C(C)C ZINC000190795148 552508909 /nfs/dbraw/zinc/50/89/09/552508909.db2.gz DYBJAMANOGDOLX-AWEZNQCLSA-N 1 0 392.949 2.714 20 0 GFADRO COC[C@@H](O)C[N@@H+]1CCC[C@H]1c1nc(-c2ccccc2Br)no1 ZINC000190803083 552509461 /nfs/dbraw/zinc/50/94/61/552509461.db2.gz KARDPNMPFKJYHY-FZMZJTMJSA-N 1 0 382.258 2.643 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)Cc2ccc(I)cc2)C[N@@H+]1C1CC1 ZINC000190966908 552515126 /nfs/dbraw/zinc/51/51/26/552515126.db2.gz BEUJSSZCHHCDGC-RISCZKNCSA-N 1 0 384.261 2.575 20 0 GFADRO COc1cc(Cl)c(Cl)cc1NC(=O)N1CCN(C[C@@H](C)O)[C@@H](C)C1 ZINC000191272836 552523317 /nfs/dbraw/zinc/52/33/17/552523317.db2.gz PEIFKMMZXRMYFC-WDEREUQCSA-N 1 0 376.284 2.921 20 0 GFADRO CC1(C)CCC[C@@H]1[NH2+]CC(=O)NCC(=O)Nc1ccccc1Br ZINC000191293216 552523574 /nfs/dbraw/zinc/52/35/74/552523574.db2.gz FTWGINNMEMNVAW-AWEZNQCLSA-N 1 0 382.302 2.672 20 0 GFADRO COC(=O)[C@@](C)(C[NH2+][C@H](C)Cn1cc(Br)cn1)c1ccccc1 ZINC000191577114 552532141 /nfs/dbraw/zinc/53/21/41/552532141.db2.gz FCHDFNXJYVUCCQ-DYVFJYSZSA-N 1 0 380.286 2.755 20 0 GFADRO CC[N@H+](CCC(=O)OC)Cc1ccc(Br)cc1N1CCOCC1 ZINC000191619500 552533683 /nfs/dbraw/zinc/53/36/83/552533683.db2.gz SZUPSKKAOOSHIP-UHFFFAOYSA-N 1 0 385.302 2.671 20 0 GFADRO CO[C@@H](C)[C@H](C)[NH2+][C@H](C)C(=O)Nc1cccc(I)c1 ZINC000191704967 552535084 /nfs/dbraw/zinc/53/50/84/552535084.db2.gz LTGXAIYHUWLAEO-AXFHLTTASA-N 1 0 376.238 2.631 20 0 GFADRO Cn1nc(Br)cc1C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000191885993 552541085 /nfs/dbraw/zinc/54/10/85/552541085.db2.gz VLNMOCOUXVCGIJ-OAHLLOKOSA-N 1 0 377.286 2.750 20 0 GFADRO COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000191873127 552541233 /nfs/dbraw/zinc/54/12/33/552541233.db2.gz AKLWFSINDVLPEQ-UHFFFAOYSA-N 1 0 388.295 2.930 20 0 GFADRO CO[C@@H]1C[NH2+][C@@H](C(=O)Nc2nc3ccc(OCC(F)(F)F)cc3s2)C1 ZINC000191891353 552541582 /nfs/dbraw/zinc/54/15/82/552541582.db2.gz PIFSTWWLUVEKTI-GXSJLCMTSA-N 1 0 375.372 2.553 20 0 GFADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2cc(Br)c(F)cc2F)C1 ZINC000191886475 552541754 /nfs/dbraw/zinc/54/17/54/552541754.db2.gz GHVXTSJVRLJPDC-NSHDSACASA-N 1 0 391.256 2.814 20 0 GFADRO COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)NCCC[NH+]1CCCCC1 ZINC000191887515 552541800 /nfs/dbraw/zinc/54/18/00/552541800.db2.gz BFQRKNAEVAZSRJ-UHFFFAOYSA-N 1 0 388.295 2.933 20 0 GFADRO Cc1ccc(S(=O)(=O)N(CC[NH3+])Cc2ccccc2)c(Br)c1 ZINC000191928143 552543438 /nfs/dbraw/zinc/54/34/38/552543438.db2.gz XYEZCIBZHHMKKJ-UHFFFAOYSA-N 1 0 383.311 2.907 20 0 GFADRO Cn1nc(Br)cc1C(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000191959772 552543907 /nfs/dbraw/zinc/54/39/07/552543907.db2.gz ZEVLFTIZIGEAFE-UHFFFAOYSA-N 1 0 383.334 2.911 20 0 GFADRO COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)N(C)CC1CC[NH+](C)CC1 ZINC000192009510 552545655 /nfs/dbraw/zinc/54/56/55/552545655.db2.gz LTLVSQVSLIUPQX-UHFFFAOYSA-N 1 0 388.295 2.741 20 0 GFADRO C[C@@H]1C[N@@H+](C2CCN(C(=O)c3cccc(Br)c3F)CC2)CCO1 ZINC000192083792 552550228 /nfs/dbraw/zinc/55/02/28/552550228.db2.gz JMJGQEJHXIPZHE-GFCCVEGCSA-N 1 0 385.277 2.914 20 0 GFADRO CS(=O)(=O)N1CCC[C@@H](C[NH2+][C@@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)C1 ZINC000192100916 552550753 /nfs/dbraw/zinc/55/07/53/552550753.db2.gz FTSBNFKQQPEDIC-JCURWCKSSA-N 1 0 390.908 2.570 20 0 GFADRO CCS(=O)(=O)CCCCC[NH2+][C@@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)cc1 ZINC000192155407 552553509 /nfs/dbraw/zinc/55/35/09/552553509.db2.gz ACFJJDNZTHURNK-AEFFLSMTSA-N 1 0 386.945 2.806 20 0 GFADRO CN([C@@H]1CCCN(C)C1)S(=O)(=O)c1ccc(Cl)c(Br)c1 ZINC000192215206 552556407 /nfs/dbraw/zinc/55/64/07/552556407.db2.gz RJPMAIGFQBONGH-SNVBAGLBSA-N 1 0 381.723 2.817 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)c(Br)c2)C1 ZINC000192389639 552561215 /nfs/dbraw/zinc/56/12/15/552561215.db2.gz IMSUYMZUFSUOGE-VHSXEESVSA-N 1 0 381.723 2.850 20 0 GFADRO Cn1c(=O)sc2cc(C[NH2+]CCNC(=O)c3ccccc3Cl)ccc21 ZINC000192563164 552566585 /nfs/dbraw/zinc/56/65/85/552566585.db2.gz IUIRAILLVUICJZ-UHFFFAOYSA-N 1 0 375.881 2.773 20 0 GFADRO C[C@@H]1COCCN1CC[NH+]1CCN(CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000192773432 552973607 /nfs/dbraw/zinc/97/36/07/552973607.db2.gz JLXSMRZKZSEHDS-MRXNPFEDSA-N 1 0 386.367 2.874 20 0 GFADRO COc1cc(Cl)c(S(=O)(=O)N2CCC[C@H]2C[NH+]2CCCC2)cc1OC ZINC000192816496 552974765 /nfs/dbraw/zinc/97/47/65/552974765.db2.gz GIZZDQARDDUDDM-ZDUSSCGKSA-N 1 0 388.917 2.606 20 0 GFADRO C[N@@H+]1C[C@@H]2CN(S(=O)(=O)c3cc(Cl)ccc3OCCC3CC3)C[C@@H]2C1 ZINC000192922272 552977986 /nfs/dbraw/zinc/97/79/86/552977986.db2.gz UMSUVEYUYDAQDV-GASCZTMLSA-N 1 0 384.929 2.701 20 0 GFADRO O=S(=O)(c1ccc(C[NH2+]Cc2cc(Cl)cs2)cc1)N1CCOCC1 ZINC000192983263 552979773 /nfs/dbraw/zinc/97/97/73/552979773.db2.gz MZYWPNVIVDKQLX-UHFFFAOYSA-N 1 0 386.926 2.712 20 0 GFADRO O=S(=O)(N[C@H]1CCC[NH2+]C1)c1cc(Br)c(Cl)cc1Cl ZINC000193234531 552987176 /nfs/dbraw/zinc/98/71/76/552987176.db2.gz QUQNODBLKAHQOH-ZETCQYMHSA-N 1 0 388.114 2.786 20 0 GFADRO CN(C1CC[NH2+]CC1)S(=O)(=O)c1ccc2cc(Br)ccc2c1 ZINC000193237086 552987399 /nfs/dbraw/zinc/98/73/99/552987399.db2.gz JGRCSQASZFALQE-UHFFFAOYSA-N 1 0 383.311 2.975 20 0 GFADRO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N1CCC([C@@H](C)[NH3+])CC1 ZINC000193260597 552987853 /nfs/dbraw/zinc/98/78/53/552987853.db2.gz DHSOLYQEEFHGTR-QWHCGFSZSA-N 1 0 390.933 2.502 20 0 GFADRO C[C@@H]([NH3+])C1CCN(S(=O)(=O)c2cc(Cl)c(Br)cc2F)CC1 ZINC000193260284 552987936 /nfs/dbraw/zinc/98/79/36/552987936.db2.gz JSIMPGMBDVAPNC-MRVPVSSYSA-N 1 0 399.713 2.990 20 0 GFADRO C[NH2+]CC1CCN(S(=O)(=O)c2cc(Cl)c(Br)cc2F)CC1 ZINC000193268631 552988243 /nfs/dbraw/zinc/98/82/43/552988243.db2.gz YRMLYXJUUXPTEQ-UHFFFAOYSA-N 1 0 399.713 2.862 20 0 GFADRO CCC([NH3+])(CC)CNS(=O)(=O)c1cc(Cl)ccc1O[C@H](C)COC ZINC000193299063 552989531 /nfs/dbraw/zinc/98/95/31/552989531.db2.gz IJLWSWOPZRKFJZ-GFCCVEGCSA-N 1 0 378.922 2.550 20 0 GFADRO CSC1(C[NH2+][C@@H](C)c2ccc(S(=O)(=O)N3CCOCC3)cc2)CCC1 ZINC000193806922 553003676 /nfs/dbraw/zinc/00/36/76/553003676.db2.gz SYFFUBJCNCQZKC-HNNXBMFYSA-N 1 0 384.567 2.644 20 0 GFADRO O=C(NCC[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2)c1ccc(Br)cc1 ZINC000193986546 553008755 /nfs/dbraw/zinc/00/87/55/553008755.db2.gz UVSWHFCKALFZRF-BZUAXINKSA-N 1 0 379.298 2.726 20 0 GFADRO C[C@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000194006692 553009314 /nfs/dbraw/zinc/00/93/14/553009314.db2.gz BUQWWPOJCHVQLQ-WFASDCNBSA-N 1 0 387.933 2.697 20 0 GFADRO COC[C@@H]([NH2+]CCNS(=O)(=O)c1ccc(C)cc1)c1ccc(Cl)cc1 ZINC000194006036 553009434 /nfs/dbraw/zinc/00/94/34/553009434.db2.gz QTLHQCMQBHTXRP-GOSISDBHSA-N 1 0 382.913 2.904 20 0 GFADRO C[C@@H](O)C[N@@H+]1CCN(C(=O)Cc2cc(Cl)ccc2Br)[C@@H](C)C1 ZINC000194025427 553009962 /nfs/dbraw/zinc/00/99/62/553009962.db2.gz DIIPYLJAZVRIJK-NWDGAFQWSA-N 1 0 389.721 2.559 20 0 GFADRO CCS(=O)(=O)NCCC[NH2+]C1CC(c2ccc(Br)cc2)C1 ZINC000194011178 553010062 /nfs/dbraw/zinc/01/00/62/553010062.db2.gz MVJCFCKDJFWVOE-UHFFFAOYSA-N 1 0 375.332 2.614 20 0 GFADRO C[NH+](C)CCC1CCN(C(=O)[C@H]2Cc3cc(Br)ccc3O2)CC1 ZINC000194306835 553017024 /nfs/dbraw/zinc/01/70/24/553017024.db2.gz MVKWWDQTAKCHRJ-QGZVFWFLSA-N 1 0 381.314 2.943 20 0 GFADRO C[NH+](C)CCC1CCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1 ZINC000194378124 553019163 /nfs/dbraw/zinc/01/91/63/553019163.db2.gz DDXOGODEDCERDG-UHFFFAOYSA-N 1 0 380.432 2.938 20 0 GFADRO [NH3+]CCc1nc(C(=O)N2CCO[C@@H](c3ccc(Br)cc3)C2)cs1 ZINC000194788060 553029903 /nfs/dbraw/zinc/02/99/03/553029903.db2.gz KMSMNBVMOUJPDI-CQSZACIVSA-N 1 0 396.310 2.621 20 0 GFADRO C[C@H]([NH3+])CNC(=O)c1nn(-c2cccc(Br)c2)c2c1CCCC2 ZINC000194923726 553033577 /nfs/dbraw/zinc/03/35/77/553033577.db2.gz UAPULAGITRWRPY-NSHDSACASA-N 1 0 377.286 2.591 20 0 GFADRO Cc1csc(NC(=O)CN2CC[C@@H](C[N@@H+](C)Cc3scnc3C)C2)n1 ZINC000195254823 553042545 /nfs/dbraw/zinc/04/25/45/553042545.db2.gz HFYVCCOIUKIERH-AWEZNQCLSA-N 1 0 379.555 2.609 20 0 GFADRO C[C@@]([NH3+])(C(=O)NC[C@@H](O)COc1cccc(Cl)c1Cl)c1ccccc1 ZINC000195258397 553043242 /nfs/dbraw/zinc/04/32/42/553043242.db2.gz IXSJQLZHOGYART-ACJLOTCBSA-N 1 0 383.275 2.723 20 0 GFADRO CN(Cc1c(F)cccc1Cl)S(=O)(=O)NCCC[NH+]1CCCCC1 ZINC000218815602 553054632 /nfs/dbraw/zinc/05/46/32/553054632.db2.gz RPQYDDXGBCURIP-UHFFFAOYSA-N 1 0 377.913 2.621 20 0 GFADRO CC[NH+]1CCC(NS(=O)(=O)c2ccc(Cl)c(Br)c2)CC1 ZINC000233470887 553066991 /nfs/dbraw/zinc/06/69/91/553066991.db2.gz HKXARUKGKORCDE-UHFFFAOYSA-N 1 0 381.723 2.865 20 0 GFADRO O=C(c1cc(Cl)ccc1I)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000236081793 553068601 /nfs/dbraw/zinc/06/86/01/553068601.db2.gz SXJQIXJVEBKNHA-TVQRCGJNSA-N 1 0 390.652 2.769 20 0 GFADRO [NH3+]CC[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)c(Br)c2)C1 ZINC000236263025 553068720 /nfs/dbraw/zinc/06/87/20/553068720.db2.gz DEKXJASRVGVRIN-SNVBAGLBSA-N 1 0 381.723 2.852 20 0 GFADRO CC(C)[C@H]([NH3+])CCN(C)C(=O)[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000236598084 553069713 /nfs/dbraw/zinc/06/97/13/553069713.db2.gz BWUOSPNAMAADFE-JKSUJKDBSA-N 1 0 396.329 2.634 20 0 GFADRO CC(=O)N[C@@H](CC(=O)NCC[C@H]1CCC[NH2+]C1)c1ccc(Br)cc1 ZINC000236696329 553070253 /nfs/dbraw/zinc/07/02/53/553070253.db2.gz HCBCKERMDPHNEC-PBHICJAKSA-N 1 0 396.329 2.522 20 0 GFADRO CC(C)c1ccc([C@H]([NH3+])CNC(=O)Cn2cc(Br)ccc2=O)cc1 ZINC000236768252 553070845 /nfs/dbraw/zinc/07/08/45/553070845.db2.gz UPDDWBJDHOCYHD-MRXNPFEDSA-N 1 0 392.297 2.550 20 0 GFADRO O=C(CC1CC[NH2+]CC1)NC[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000236714196 553070858 /nfs/dbraw/zinc/07/08/58/553070858.db2.gz OCNRLGQHXCOGKC-HNNXBMFYSA-N 1 0 380.330 2.781 20 0 GFADRO CCC(CC)(C[NH3+])NC(=O)C[C@H](NC(C)=O)c1ccc(Br)cc1 ZINC000236755553 553071083 /nfs/dbraw/zinc/07/10/83/553071083.db2.gz NCXCFGSIZHWZQB-HNNXBMFYSA-N 1 0 384.318 2.650 20 0 GFADRO CC(C)C[C@](C)(C[NH3+])NS(=O)(=O)c1cc(N(C)C)ccc1Br ZINC000236722684 553071138 /nfs/dbraw/zinc/07/11/38/553071138.db2.gz JEBOAYLGHGYIJB-OAHLLOKOSA-N 1 0 392.363 2.557 20 0 GFADRO CCOc1cc(Br)c(CC(=O)N(C)C2CC[NH2+]CC2)cc1OCC ZINC000236878181 553072099 /nfs/dbraw/zinc/07/20/99/553072099.db2.gz QIAYHIFXQOVDRM-UHFFFAOYSA-N 1 0 399.329 2.999 20 0 GFADRO CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000236901539 553072906 /nfs/dbraw/zinc/07/29/06/553072906.db2.gz QAOJWGGDFWBCLR-LBPRGKRZSA-N 1 0 388.295 2.549 20 0 GFADRO CC[NH2+]Cc1ccccc1NC(=O)CCn1cc(Br)ccc1=O ZINC000237042730 553073362 /nfs/dbraw/zinc/07/33/62/553073362.db2.gz FGLKPVUXOSCNTE-UHFFFAOYSA-N 1 0 378.270 2.749 20 0 GFADRO C[NH+](C)CCn1cc(NCc2cc(Br)c3c(c2)OCCO3)cn1 ZINC000237006056 553073519 /nfs/dbraw/zinc/07/35/19/553073519.db2.gz DYRSUBIVURYLBK-UHFFFAOYSA-N 1 0 381.274 2.591 20 0 GFADRO CCOc1c(Br)cc(C(=O)N2CCC[C@@H](C[NH2+]C)C2)cc1OC ZINC000237016047 553073779 /nfs/dbraw/zinc/07/37/79/553073779.db2.gz INFYQLOJJPIFCM-LBPRGKRZSA-N 1 0 385.302 2.928 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)c1ccc(C[NH3+])cc1 ZINC000237095149 553074239 /nfs/dbraw/zinc/07/42/39/553074239.db2.gz AVBUEAVLRQHJGL-UHFFFAOYSA-N 1 0 390.281 2.927 20 0 GFADRO COCC[C@@H](Cc1cccc(Br)c1)C(=O)N[C@](C)(C[NH3+])C1CC1 ZINC000237108116 553074822 /nfs/dbraw/zinc/07/48/22/553074822.db2.gz PDZHVQGVYALSIW-KBXCAEBGSA-N 1 0 383.330 2.888 20 0 GFADRO C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)N(c3cc(Cl)cc(Cl)c3)C2)C1 ZINC000237242884 553076009 /nfs/dbraw/zinc/07/60/09/553076009.db2.gz MDMZATFQMAIVKE-QWHCGFSZSA-N 1 0 384.307 2.804 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)c2cc(F)c(F)cc2I)C1 ZINC000237321922 553076417 /nfs/dbraw/zinc/07/64/17/553076417.db2.gz ZCSBHDZCIYXYJS-BDAKNGLRSA-N 1 0 394.203 2.769 20 0 GFADRO C[C@@H](Cc1ccc(Br)cc1)[NH2+]C1CCN(CC(=O)N(C)C)CC1 ZINC000237524449 553078575 /nfs/dbraw/zinc/07/85/75/553078575.db2.gz RNPNJNPPRWCEJE-AWEZNQCLSA-N 1 0 382.346 2.522 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)C1([NH3+])CCCCC1 ZINC000237556824 553078941 /nfs/dbraw/zinc/07/89/41/553078941.db2.gz MENNPIGCXSNKJR-UHFFFAOYSA-N 1 0 382.302 2.864 20 0 GFADRO C[C@H]1CCCN(S(=O)(=O)c2cc(Br)ccc2Cl)[C@@H]1C[NH3+] ZINC000237505845 553078962 /nfs/dbraw/zinc/07/89/62/553078962.db2.gz RRNXUAIZZVWCAA-JOYOIKCWSA-N 1 0 381.723 2.850 20 0 GFADRO Cc1nc(C(=O)NC2C[C@H]3CC[C@@H](C2)[NH2+]3)nn1-c1c(Cl)cccc1Cl ZINC000237681884 553080418 /nfs/dbraw/zinc/08/04/18/553080418.db2.gz FINPXUUXYZXDFG-FOSCPWQOSA-N 1 0 380.279 2.895 20 0 GFADRO Cc1nn(-c2ccc(C(=O)NCC[NH2+]C3CC3)cc2)c(C)c1Br ZINC000237663717 553080673 /nfs/dbraw/zinc/08/06/73/553080673.db2.gz WSWUBBWNQSQNJO-UHFFFAOYSA-N 1 0 377.286 2.733 20 0 GFADRO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)c1cc(F)c(F)cc1I ZINC000237923421 553084119 /nfs/dbraw/zinc/08/41/19/553084119.db2.gz LQVZHRQLHHMRAH-ISVAXAHUSA-N 1 0 394.203 2.817 20 0 GFADRO C[C@H]1CN(C(=O)CCc2nc(-c3cc(Br)cs3)no2)[C@@H](C)C[NH2+]1 ZINC000237732704 553081282 /nfs/dbraw/zinc/08/12/82/553081282.db2.gz OOBDYJGVASOVCA-UWVGGRQHSA-N 1 0 399.314 2.702 20 0 GFADRO O=C(C[C@H]1CSCC[NH2+]1)Nc1cc(F)c(I)c(F)c1 ZINC000237716207 553081289 /nfs/dbraw/zinc/08/12/89/553081289.db2.gz PPGLPOAIGIVJGK-QMMMGPOBSA-N 1 0 398.216 2.603 20 0 GFADRO [NH3+]CC1(C(=O)Nc2ncn(Cc3cccc(Br)c3)n2)CCCC1 ZINC000237771430 553081848 /nfs/dbraw/zinc/08/18/48/553081848.db2.gz YLEGOEITGJRIFU-UHFFFAOYSA-N 1 0 378.274 2.547 20 0 GFADRO Cc1cc(NC(=O)CNC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)ccc1Br ZINC000237804832 553082200 /nfs/dbraw/zinc/08/22/00/553082200.db2.gz VCGFIDUGPNHBGD-RCBQFDQVSA-N 1 0 394.313 2.733 20 0 GFADRO Cc1cc(NC(=O)CNC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)ccc1Br ZINC000237804641 553082341 /nfs/dbraw/zinc/08/23/41/553082341.db2.gz XTJDGWZAOUSKLY-LQDVMPOASA-N 1 0 394.313 2.733 20 0 GFADRO O=C(C1CC[NH2+]CC1)N1CCC[C@@H]1c1ccc(I)cc1 ZINC000237813006 553082376 /nfs/dbraw/zinc/08/23/76/553082376.db2.gz FYDLSOZOJCUUOY-OAHLLOKOSA-N 1 0 384.261 2.954 20 0 GFADRO O=C(C[C@H]1CSCC[NH2+]1)Nc1ccc(=O)n(Cc2ccccc2Cl)c1 ZINC000237898038 553083613 /nfs/dbraw/zinc/08/36/13/553083613.db2.gz OGQDQLCRLWDLGN-HNNXBMFYSA-N 1 0 377.897 2.584 20 0 GFADRO [NH3+]C[C@H](NC(=O)c1cc(Br)c2c(c1)OCCO2)C1CCCCC1 ZINC000237915615 553084094 /nfs/dbraw/zinc/08/40/94/553084094.db2.gz OZMLGYBQBLAYLK-AWEZNQCLSA-N 1 0 383.286 2.858 20 0 GFADRO [NH3+]C[C@@H](C(=O)NC[C@@H](O)COc1cccc(Cl)c1Cl)c1ccccc1 ZINC000238027048 553085252 /nfs/dbraw/zinc/08/52/52/553085252.db2.gz BLUORFHFOZVJLE-ZIAGYGMSSA-N 1 0 383.275 2.592 20 0 GFADRO COC(=O)c1ccc(Cl)cc1S(=O)(=O)NC[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000245780638 553097062 /nfs/dbraw/zinc/09/70/62/553097062.db2.gz CERDMCSGTVWABK-CHWSQXEVSA-N 1 0 388.917 2.525 20 0 GFADRO CN1CCO[C@@H]([C@@H](NC(=O)CCc2cscn2)c2ccc(Cl)cc2)C1 ZINC000245791576 553097177 /nfs/dbraw/zinc/09/71/77/553097177.db2.gz XGVXFLZVRIVUDG-AEFFLSMTSA-N 1 0 379.913 2.917 20 0 GFADRO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)c1ccncc1Br ZINC000245978510 553100416 /nfs/dbraw/zinc/10/04/16/553100416.db2.gz GPBJRROAGUSKCD-SUMWQHHRSA-N 1 0 389.297 2.880 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2cccc(Br)c2)[C@@H](C)C1 ZINC000246089807 553102235 /nfs/dbraw/zinc/10/22/35/553102235.db2.gz GMRRGCQJGBWLIL-WFASDCNBSA-N 1 0 375.332 2.800 20 0 GFADRO CCN1CCO[C@@H](C(=O)N2CCO[C@@H](c3cc(F)c(Cl)cc3Cl)C2)C1 ZINC000246249463 553105102 /nfs/dbraw/zinc/10/51/02/553105102.db2.gz SLEUQPJYYMIJTO-HZPDHXFCSA-N 1 0 391.270 2.753 20 0 GFADRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CNC(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000246894747 553115260 /nfs/dbraw/zinc/11/52/60/553115260.db2.gz JFLQWYDHLUHBRX-XJKSGUPXSA-N 1 0 384.307 2.666 20 0 GFADRO C[C@@H](NC(=O)CN1CC[N@@H+](C[C@H](C)O)[C@H](C)C1)c1ccc(Cl)cc1Cl ZINC000246945586 553116043 /nfs/dbraw/zinc/11/60/43/553116043.db2.gz BDHNVRJYYZREEQ-HZSPNIEDSA-N 1 0 388.339 2.558 20 0 GFADRO CC[C@@H]1CN(C(=O)[C@H](C)Oc2cccc(Br)c2)CC[N@@H+]1C[C@@H](C)O ZINC000247010115 553117345 /nfs/dbraw/zinc/11/73/45/553117345.db2.gz WEABFAVKWRGFRU-IJEWVQPXSA-N 1 0 399.329 2.520 20 0 GFADRO CC(=O)N1CC[C@@H](C[N@H+](C)C[C@@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000247067336 553118229 /nfs/dbraw/zinc/11/82/29/553118229.db2.gz VQECOGMGTFSFIP-UONOGXRCSA-N 1 0 375.296 2.533 20 0 GFADRO C[C@H](C(=O)Nc1cccc(Cl)c1Cl)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000247075723 553118338 /nfs/dbraw/zinc/11/83/38/553118338.db2.gz WUJPRJJBZJLUIM-KGLIPLIRSA-N 1 0 386.323 2.975 20 0 GFADRO C[C@H](C(=O)NC[C@@H](O)COc1ccccc1Br)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000247045425 553118356 /nfs/dbraw/zinc/11/83/56/553118356.db2.gz TUIWFMTXTGEAAK-LXTVHRRPSA-N 1 0 399.329 2.566 20 0 GFADRO CCN(CC)S(=O)(=O)c1ccc(CC[NH2+][C@@H]2CC[N@H+](CC)C[C@@H]2C)s1 ZINC000247104385 553118606 /nfs/dbraw/zinc/11/86/06/553118606.db2.gz SODCTSMTCMSWEW-DOTOQJQBSA-N 1 0 387.615 2.641 20 0 GFADRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1csc(I)c1 ZINC000247189760 553119397 /nfs/dbraw/zinc/11/93/97/553119397.db2.gz BKEHCCVSVLIBES-GXSJLCMTSA-N 1 0 378.279 2.765 20 0 GFADRO COCCOC[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2cccc(Br)c2)C1 ZINC000247531255 553123287 /nfs/dbraw/zinc/12/32/87/553123287.db2.gz OFHBULZMSJAGBQ-ZIAGYGMSSA-N 1 0 385.302 2.761 20 0 GFADRO C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@@H](C)c2cccc(Br)c2)C[C@@H]1C ZINC000248626053 553131953 /nfs/dbraw/zinc/13/19/53/553131953.db2.gz ODDHXKFQDMUYRP-IHRRRGAJSA-N 1 0 384.318 2.607 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000248667309 553132684 /nfs/dbraw/zinc/13/26/84/553132684.db2.gz XAUBBNHCTOZEMK-ZLIFDBKOSA-N 1 0 389.297 2.753 20 0 GFADRO Cc1cc(Br)ccc1S(=O)(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000248785736 553134966 /nfs/dbraw/zinc/13/49/66/553134966.db2.gz XJXQUEOHLRRJSD-TZMCWYRMSA-N 1 0 375.332 2.718 20 0 GFADRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)[C@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl ZINC000248857277 553136181 /nfs/dbraw/zinc/13/61/81/553136181.db2.gz LGBBKZSXEUZWEQ-KNXALSJPSA-N 1 0 384.307 2.855 20 0 GFADRO C[N@@H+]1CCC[C@H]2CN(C(=O)Nc3ccc(Cl)c(S(C)(=O)=O)c3)CC[C@H]21 ZINC000249033608 553137920 /nfs/dbraw/zinc/13/79/20/553137920.db2.gz MDICIFPUPQWATK-SWLSCSKDSA-N 1 0 385.917 2.692 20 0 GFADRO Cc1cc(NC(=O)C(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)ccc1Br ZINC000249225158 553140976 /nfs/dbraw/zinc/14/09/76/553140976.db2.gz UWAINGACICTGNM-JSGCOSHPSA-N 1 0 382.302 2.637 20 0 GFADRO C[C@H](O)C[N@@H+]1CCN(Cc2ncc(-c3ccccc3Br)o2)[C@@H](C)C1 ZINC000249270933 553141695 /nfs/dbraw/zinc/14/16/95/553141695.db2.gz JKESFFYJXGDROB-KBPBESRZSA-N 1 0 394.313 2.991 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCN(c2cc(Cl)ccc2Cl)C1=O ZINC000249732776 553145596 /nfs/dbraw/zinc/14/55/96/553145596.db2.gz BMXQAEYOYWRCFX-ZIAGYGMSSA-N 1 0 384.307 2.947 20 0 GFADRO C[C@@H]1C[N@@H+](C2CCN(C[C@@H](O)c3cccc(Br)c3)CC2)CCO1 ZINC000249682424 553145656 /nfs/dbraw/zinc/14/56/56/553145656.db2.gz ASGUUBCJYMQQEP-RDTXWAMCSA-N 1 0 383.330 2.668 20 0 GFADRO COC[C@@H]1C[N@H+](CCC(=O)Nc2ccc(Br)cc2F)C[C@@H](C)O1 ZINC000251523613 553147895 /nfs/dbraw/zinc/14/78/95/553147895.db2.gz CVUHFAVQEPAHHI-YPMHNXCESA-N 1 0 389.265 2.653 20 0 GFADRO O=S(=O)(C[C@H](O)C[NH2+][C@@H]1CC[C@@H](Cc2ccccc2)C1)c1cccs1 ZINC000253133058 553150470 /nfs/dbraw/zinc/15/04/70/553150470.db2.gz XNXTYECQLSSIRK-RCCFBDPRSA-N 1 0 379.547 2.884 20 0 GFADRO C[C@@]([NH3+])(C(=O)NCCc1ccc2c(c1)CCO2)c1ccc(Br)cc1 ZINC000261652004 553155413 /nfs/dbraw/zinc/15/54/13/553155413.db2.gz DQOMEKSVIOPNKX-IBGZPJMESA-N 1 0 389.293 2.917 20 0 GFADRO COc1ccc(CN2CC[NH2+]C[C@H]2c2cccnc2)c(Br)c1O ZINC000261676053 553155666 /nfs/dbraw/zinc/15/56/66/553155666.db2.gz JLZXAKMODATJBS-AWEZNQCLSA-N 1 0 378.270 2.705 20 0 GFADRO [NH3+]C[C@H](NS(=O)(=O)c1c(Cl)cccc1Br)C1CCCC1 ZINC000261699246 553156906 /nfs/dbraw/zinc/15/69/06/553156906.db2.gz IJMOYYGHDHPRQW-LBPRGKRZSA-N 1 0 381.723 2.898 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)CC[C@@H]1CC[NH2+]C1 ZINC000261774704 553158592 /nfs/dbraw/zinc/15/85/92/553158592.db2.gz JAXJJMSNEIXDHE-CYBMUJFWSA-N 1 0 382.302 2.592 20 0 GFADRO CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@](C)([NH3+])c2ccc(Br)cc2)C1 ZINC000261797503 553159654 /nfs/dbraw/zinc/15/96/54/553159654.db2.gz QPSQEESFYHXWPI-RDTXWAMCSA-N 1 0 382.346 2.813 20 0 GFADRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1 ZINC000261876745 553161878 /nfs/dbraw/zinc/16/18/78/553161878.db2.gz SXNVPCXULCVRJY-ZIAGYGMSSA-N 1 0 384.929 2.622 20 0 GFADRO Cc1cc(C(=O)N2C[C@H](C[NH3+])C[C@H]2C)nn1-c1ccc(Br)cc1 ZINC000261871062 553161891 /nfs/dbraw/zinc/16/18/91/553161891.db2.gz SHABMRRDHJUMLO-YPMHNXCESA-N 1 0 377.286 2.753 20 0 GFADRO CCOC(=O)[C@@H](Cc1cc(Cl)cc(Cl)c1)NC(=O)CC[C@H]1CC[NH2+]C1 ZINC000261903070 553162145 /nfs/dbraw/zinc/16/21/45/553162145.db2.gz ZFGOAAQZHKHGKN-BLLLJJGKSA-N 1 0 387.307 2.974 20 0 GFADRO [NH3+]CC1(C(=O)NCCOc2c(Cl)cc(Cl)cc2Cl)CCOCC1 ZINC000261912132 553162334 /nfs/dbraw/zinc/16/23/34/553162334.db2.gz JDNDPWAOZRLIRV-UHFFFAOYSA-N 1 0 381.687 2.897 20 0 GFADRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)c1cc(I)ccc1Cl ZINC000261921540 553162870 /nfs/dbraw/zinc/16/28/70/553162870.db2.gz IOKFCYMHDMEORC-IUCAKERBSA-N 1 0 378.641 2.754 20 0 GFADRO COc1ccc(NC(=O)[C@]2([NH3+])[C@H]3CCCO[C@H]3C2(C)C)cc1Br ZINC000261931214 553162878 /nfs/dbraw/zinc/16/28/78/553162878.db2.gz SVBDQWYIJPISAS-FABXCBLPSA-N 1 0 383.286 2.929 20 0 GFADRO [NH3+][C@@H]1CCC[C@H]1CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 ZINC000261946049 553163342 /nfs/dbraw/zinc/16/33/42/553163342.db2.gz FYKRCSRZAYFLQE-SWLSCSKDSA-N 1 0 385.917 2.581 20 0 GFADRO COc1ccc(Br)cc1C(=O)CCC(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000262004717 553164144 /nfs/dbraw/zinc/16/41/44/553164144.db2.gz NRNRYJKJQZDBHR-QGZVFWFLSA-N 1 0 383.286 2.618 20 0 GFADRO CCCN(C1CC[NH2+]CC1)S(=O)(=O)N(C)Cc1c(F)cccc1Cl ZINC000262024751 553164757 /nfs/dbraw/zinc/16/47/57/553164757.db2.gz JCQMSCVLCKVYAS-UHFFFAOYSA-N 1 0 377.913 2.620 20 0 GFADRO [NH3+]CCC(=O)NC[C@@H]1CCCCN1Cc1cc(Br)c(Cl)s1 ZINC000262093847 553166068 /nfs/dbraw/zinc/16/60/68/553166068.db2.gz UZLMMCYIANCTDI-JTQLQIEISA-N 1 0 394.766 2.984 20 0 GFADRO C[C@@H]1CCCN(S(=O)(=O)c2cccc(Br)c2Cl)[C@H]1C[NH3+] ZINC000262126605 553166266 /nfs/dbraw/zinc/16/62/66/553166266.db2.gz WIZZTPRUPKCOQN-KOLCDFICSA-N 1 0 381.723 2.850 20 0 GFADRO O=C(CCNC(=O)c1cccs1)N1CC[NH2+]C[C@@H]1c1cccc(Cl)c1 ZINC000262139077 553166573 /nfs/dbraw/zinc/16/65/73/553166573.db2.gz XBEFNQGBFOSDSO-OAHLLOKOSA-N 1 0 377.897 2.695 20 0 GFADRO O=S(=O)(c1c(Cl)cccc1Br)N1CCC2(C1)CC[NH2+]CC2 ZINC000262166501 553166860 /nfs/dbraw/zinc/16/68/60/553166860.db2.gz AJXZAUUOHDVINS-UHFFFAOYSA-N 1 0 393.734 2.867 20 0 GFADRO C[C@@H](Sc1ccccc1Cl)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000262183380 553166984 /nfs/dbraw/zinc/16/69/84/553166984.db2.gz ZFOUKBADJMRXRS-BXUZGUMPSA-N 1 0 395.878 2.773 20 0 GFADRO CCC[C@](C)([NH3+])C(=O)N1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000262165781 553167017 /nfs/dbraw/zinc/16/70/17/553167017.db2.gz VXVSCZWYXVPRFY-PXAZEXFGSA-N 1 0 397.317 2.539 20 0 GFADRO CCc1ccc([C@H]2C[NH2+]CCN2C(=O)c2c[nH]c(=O)c(Br)c2)cc1 ZINC000262256378 553168157 /nfs/dbraw/zinc/16/81/57/553168157.db2.gz QOIXWEAZFDUTGT-MRXNPFEDSA-N 1 0 390.281 2.899 20 0 GFADRO O=S(=O)(NC[C@@H]1[NH2+]CCc2ccccc21)c1cccc(Br)c1 ZINC000262424454 553170648 /nfs/dbraw/zinc/17/06/48/553170648.db2.gz FHUYETKFXOFOEK-INIZCTEOSA-N 1 0 381.295 2.614 20 0 GFADRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)c1nn(-c2ccc(F)cc2)cc1Br ZINC000262765335 553175116 /nfs/dbraw/zinc/17/51/16/553175116.db2.gz KYWFURSNMNIGOQ-HZMBPMFUSA-N 1 0 381.249 2.502 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CCCC2)CC[NH2+]1 ZINC000262788179 553175729 /nfs/dbraw/zinc/17/57/29/553175729.db2.gz CVYOSNMDINHGQW-HIFRSBDPSA-N 1 0 384.929 2.683 20 0 GFADRO [NH3+]C[C@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc(Cl)cc1Br ZINC000262811825 553176228 /nfs/dbraw/zinc/17/62/28/553176228.db2.gz YICJPNWGSXESEM-SKDRFNHKSA-N 1 0 381.723 2.898 20 0 GFADRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)c1ccc(I)cc1Cl ZINC000262846854 553176832 /nfs/dbraw/zinc/17/68/32/553176832.db2.gz RWOVDMSDJFHYJN-UFBFGSQYSA-N 1 0 378.641 2.672 20 0 GFADRO Cc1c(C(=O)N[C@@H]2CC[NH2+]C[C@H]2C)cnn1-c1ccc(Br)cc1 ZINC000262871295 553177591 /nfs/dbraw/zinc/17/75/91/553177591.db2.gz VBSOMRKPZABQOG-BDJLRTHQSA-N 1 0 377.286 2.671 20 0 GFADRO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000262869953 553177883 /nfs/dbraw/zinc/17/78/83/553177883.db2.gz UXIXBKDQWUEFLZ-ZANVPECISA-N 1 0 379.254 2.592 20 0 GFADRO CO[C@@H](C[NH3+])CC(=O)N1CCCC[C@@H]1C(=O)Nc1ccc(Cl)cc1Cl ZINC000262907012 553178482 /nfs/dbraw/zinc/17/84/82/553178482.db2.gz QGHDBXNDAGSTJD-IUODEOHRSA-N 1 0 388.295 2.677 20 0 GFADRO COc1cc(Br)c(CNC(=O)[C@@H]2CCCC[C@@]2(C)[NH3+])cc1OC ZINC000263106911 553182419 /nfs/dbraw/zinc/18/24/19/553182419.db2.gz ZYBYFGAZFAIHKK-YVEFUNNKSA-N 1 0 385.302 2.990 20 0 GFADRO C[C@H](C(=O)NC1CC1)[NH+]1CCC(C(=O)Nc2cccc(Br)c2)CC1 ZINC000263677506 553190960 /nfs/dbraw/zinc/19/09/60/553190960.db2.gz HMEWPZRSHXGWMB-GFCCVEGCSA-N 1 0 394.313 2.767 20 0 GFADRO COC(=O)COC[C@H](C)[NH2+]Cc1cc(Br)ccc1Br ZINC000449257275 564177946 /nfs/dbraw/zinc/17/79/46/564177946.db2.gz LKSHJINZWCVASG-VIFPVBQESA-N 1 0 395.091 2.879 20 0 GFADRO COCC[NH+]1CCN(Cc2ccc(Br)c(Br)c2)CC1 ZINC000506266958 564199864 /nfs/dbraw/zinc/19/98/64/564199864.db2.gz GMCUZOSNYWWTFX-UHFFFAOYSA-N 1 0 392.135 2.976 20 0 GFADRO CC[C@H](Cc1ccccc1Br)NC(=O)NCCOCC[NH+](C)C ZINC000471653743 564201130 /nfs/dbraw/zinc/20/11/30/564201130.db2.gz PDVAFRCHYTVUCA-OAHLLOKOSA-N 1 0 386.334 2.648 20 0 GFADRO CSC1(CNc2ccc(I)cn2)CC[NH+](C)CC1 ZINC000450533809 564237886 /nfs/dbraw/zinc/23/78/86/564237886.db2.gz XLPJGBVJDQWPQY-UHFFFAOYSA-N 1 0 377.295 2.926 20 0 GFADRO C[N@@H+]1CCC[C@H]1CNS(=O)(=O)Cc1ccc(Cl)cc1Br ZINC000473914630 564256117 /nfs/dbraw/zinc/25/61/17/564256117.db2.gz ZOINPYUFEALSEY-LBPRGKRZSA-N 1 0 381.723 2.616 20 0 GFADRO CCNC(=O)C(C)(C)C[NH2+]Cc1c(F)ccc(I)c1F ZINC000474882482 564292188 /nfs/dbraw/zinc/29/21/88/564292188.db2.gz RYTBQNFRYMEUSZ-UHFFFAOYSA-N 1 0 396.219 2.821 20 0 GFADRO COCC[N@@H+]1CC[C@H](NC(=O)c2c(C)cc(Br)cc2Cl)C1 ZINC000477734876 564385096 /nfs/dbraw/zinc/38/50/96/564385096.db2.gz XFSURAVEPVSQRM-LBPRGKRZSA-N 1 0 375.694 2.861 20 0 GFADRO O=C(NC[C@@H]1CCC[N@H+]1CCCO)c1ccc(Br)cc1Cl ZINC000452350895 564408076 /nfs/dbraw/zinc/40/80/76/564408076.db2.gz PCXKUIXAIOVPNZ-LBPRGKRZSA-N 1 0 375.694 2.679 20 0 GFADRO CC[C@H](CNS(C)(=O)=O)[NH2+][C@@H]1CCCOc2ccc(Br)cc21 ZINC000453288648 564452020 /nfs/dbraw/zinc/45/20/20/564452020.db2.gz RJKDGAQUNFZGQO-TZMCWYRMSA-N 1 0 391.331 2.580 20 0 GFADRO CC[C@H]([NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1)c1ccccc1Br ZINC000514141561 564446395 /nfs/dbraw/zinc/44/63/95/564446395.db2.gz HBNMTDCJCHTGCE-WFASDCNBSA-N 1 0 375.332 2.771 20 0 GFADRO CCn1cnnc1CC[NH2+]Cc1c(Br)cncc1Br ZINC000685839246 565125669 /nfs/dbraw/zinc/12/56/69/565125669.db2.gz NXJUWVUEWWLCMO-UHFFFAOYSA-N 1 0 389.095 2.550 20 0 GFADRO [NH3+]CC[C@H](NS(=O)(=O)c1ccc2cc(Br)ccc2c1)C(F)F ZINC000420466361 563264534 /nfs/dbraw/zinc/26/45/34/563264534.db2.gz RFZGLSPRPIOVOC-ZDUSSCGKSA-N 1 0 393.253 2.863 20 0 GFADRO Cc1cc(S(=O)(=O)NC2CCC([NH+](C)C)CC2)ccc1Br ZINC000420741434 563281420 /nfs/dbraw/zinc/28/14/20/563281420.db2.gz HWQAPDZNNMGKPO-UHFFFAOYSA-N 1 0 375.332 2.909 20 0 GFADRO CC(C)OCCC[NH2+][C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000280713135 563351107 /nfs/dbraw/zinc/35/11/07/563351107.db2.gz MOWDNKYZVUQSOV-NSHDSACASA-N 1 0 379.320 2.562 20 0 GFADRO CC[C@H]([NH3+])CN[C@@H](c1nccn1CC)c1ccc(I)cc1 ZINC000423480499 563361298 /nfs/dbraw/zinc/36/12/98/563361298.db2.gz WDPMGSKDNIPZGZ-LSDHHAIUSA-N 1 0 398.292 2.924 20 0 GFADRO Cc1cc(Br)cc(S(=O)(=O)N2CC3(C[C@H]2C)CC[NH2+]CC3)c1 ZINC000424390164 563377807 /nfs/dbraw/zinc/37/78/07/563377807.db2.gz JOWLFCGTUXAKEH-CYBMUJFWSA-N 1 0 387.343 2.910 20 0 GFADRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)S(=O)(=O)c1cccc(Br)c1F ZINC000281998043 563393857 /nfs/dbraw/zinc/39/38/57/563393857.db2.gz VAWRMRXEKNJDIY-JQWIXIFHSA-N 1 0 379.295 2.549 20 0 GFADRO C[C@@H]1[C@H]([NH2+]Cc2ccc(Br)c(Br)c2)CCS1(=O)=O ZINC000311141007 563434678 /nfs/dbraw/zinc/43/46/78/563434678.db2.gz GFRSAKBPSXTJSG-PRHODGIISA-N 1 0 397.132 2.877 20 0 GFADRO COC[C@@]1(CNC(=O)c2ccc(Br)c(C(F)(F)F)c2)CCC[NH2+]1 ZINC000324079624 563451217 /nfs/dbraw/zinc/45/12/17/563451217.db2.gz YUDAXGFUNNKVIU-AWEZNQCLSA-N 1 0 395.219 2.966 20 0 GFADRO O=C(NCCc1c[nH]c2cccc(Br)c12)NCC1=CC[NH2+]CC1 ZINC000418197643 563213422 /nfs/dbraw/zinc/21/34/22/563213422.db2.gz JUVJLBFMMVZAJH-UHFFFAOYSA-N 1 0 377.286 2.692 20 0 GFADRO O=C(NCCc1ccc(Br)cc1Cl)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000418237715 563213904 /nfs/dbraw/zinc/21/39/04/563213904.db2.gz WFCONWYIKDBADL-STQMWFEESA-N 1 0 386.721 2.896 20 0 GFADRO [NH3+]CC[C@H](NC(=O)NCCc1ccc(Br)cc1Cl)C(F)F ZINC000418227542 563214268 /nfs/dbraw/zinc/21/42/68/563214268.db2.gz CSMOQDYAZVQURN-NSHDSACASA-N 1 0 384.652 2.927 20 0 GFADRO Cc1nc(CNC(=O)NC[C@@H]2[NH2+]CCCC2(C)C)sc1Br ZINC000418242948 563214276 /nfs/dbraw/zinc/21/42/76/563214276.db2.gz VPOJRGQQLYONNE-JTQLQIEISA-N 1 0 375.336 2.791 20 0 GFADRO O=C(N[C@@H]1CCc2c1ccc(F)c2Br)N[C@H]1C[NH2+]CCC1(F)F ZINC000418255070 563214794 /nfs/dbraw/zinc/21/47/94/563214794.db2.gz RIEAOPPKGCGBKU-NEPJUHHUSA-N 1 0 392.219 2.872 20 0 GFADRO C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)NC2CC[NH2+]CC2)CC1 ZINC000418305700 563215787 /nfs/dbraw/zinc/21/57/87/563215787.db2.gz IOWWZEXUJHNUJG-CQSZACIVSA-N 1 0 395.345 2.589 20 0 GFADRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)NC[C@H](O)COc1cccc(Cl)c1Cl ZINC000418414382 563217350 /nfs/dbraw/zinc/21/73/50/563217350.db2.gz RSFZPUVTDFPBIM-OBJOEFQTSA-N 1 0 390.311 2.550 20 0 GFADRO CCC([NH3+])(CC)CNC(=O)N(CCO)Cc1cc(Br)ccc1F ZINC000418443119 563217762 /nfs/dbraw/zinc/21/77/62/563217762.db2.gz ULAUSFKKYIMIBD-UHFFFAOYSA-N 1 0 390.297 2.610 20 0 GFADRO CC(C)C[C@@H](C[NH3+])NC(=O)N1CCO[C@H](c2cccc(Br)c2)C1 ZINC000418442156 563218077 /nfs/dbraw/zinc/21/80/77/563218077.db2.gz MRBWYABZGHTWDP-HOTGVXAUSA-N 1 0 384.318 2.905 20 0 GFADRO CCC[NH2+]CCNC(=O)N1CCO[C@H](c2ccc(F)c(Br)c2)C1 ZINC000418480483 563218443 /nfs/dbraw/zinc/21/84/43/563218443.db2.gz QUBMCHHHAJRLEE-HNNXBMFYSA-N 1 0 388.281 2.671 20 0 GFADRO COCCOC1(C[NH2+]Cc2ccc(Br)cc2F)CCOCC1 ZINC000294829789 563218438 /nfs/dbraw/zinc/21/84/38/563218438.db2.gz PUXILQOBLQHIQF-UHFFFAOYSA-N 1 0 376.266 2.890 20 0 GFADRO C[C@@H]1[C@H](c2ccc(Br)cc2)OCCN1C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000418483383 563218715 /nfs/dbraw/zinc/21/87/15/563218715.db2.gz CCPZDLDMKPQWPZ-HFBAOOFYSA-N 1 0 382.302 2.658 20 0 GFADRO CC(C)(C)OC(=O)CSCC(=O)NC1CC[NH+](Cc2cccs2)CC1 ZINC000369598795 563219017 /nfs/dbraw/zinc/21/90/17/563219017.db2.gz DGEOFNYSUUNNIN-UHFFFAOYSA-N 1 0 384.567 2.904 20 0 GFADRO O=C(Cc1cscc1Br)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000294854329 563219468 /nfs/dbraw/zinc/21/94/68/563219468.db2.gz BMNUBPUQLCMVHS-GFCCVEGCSA-N 1 0 387.343 2.670 20 0 GFADRO C[C@@H](CC[NH3+])NC(=O)N1CCC(C(=O)Nc2ccccc2Br)CC1 ZINC000418535205 563219907 /nfs/dbraw/zinc/21/99/07/563219907.db2.gz YTECOQBTGMDQLE-LBPRGKRZSA-N 1 0 397.317 2.547 20 0 GFADRO [NH3+][C@@H]1CCC[C@H](NC(=O)NCc2noc(-c3cccc(Br)c3)n2)C1 ZINC000418584244 563220920 /nfs/dbraw/zinc/22/09/20/563220920.db2.gz OCKXINVPGOGSGU-OLZOCXBDSA-N 1 0 394.273 2.568 20 0 GFADRO COCCN(Cc1ccc(Br)s1)C(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000418587392 563220943 /nfs/dbraw/zinc/22/09/43/563220943.db2.gz GQLCLNGNPHNQOE-DGCLKSJQSA-N 1 0 390.347 2.667 20 0 GFADRO CCN(Cc1ccccc1Br)C(=O)NCC1(COC)CC[NH2+]CC1 ZINC000418642706 563221466 /nfs/dbraw/zinc/22/14/66/563221466.db2.gz RXHGHPCOABUARW-UHFFFAOYSA-N 1 0 398.345 2.997 20 0 GFADRO COc1cc(CNCCC[N@@H+]2CCCO[C@H](C)C2)cc(Br)c1O ZINC000277713259 563221958 /nfs/dbraw/zinc/22/19/58/563221958.db2.gz IVBDBALVHTYWFI-CYBMUJFWSA-N 1 0 387.318 2.754 20 0 GFADRO C[C@@H](NC(=O)N1CCC(C(=O)Nc2cccc(Br)c2)CC1)[C@H](C)[NH3+] ZINC000418694546 563222747 /nfs/dbraw/zinc/22/27/47/563222747.db2.gz IBGLXGSKSXSENQ-NWDGAFQWSA-N 1 0 397.317 2.545 20 0 GFADRO C[C@@H]([NH3+])[C@@H](C)NC(=O)N(Cc1cccc(Br)c1)C1CCOCC1 ZINC000418704148 563222758 /nfs/dbraw/zinc/22/27/58/563222758.db2.gz RAWGYXJVMFITRT-CHWSQXEVSA-N 1 0 384.318 2.875 20 0 GFADRO CN(C(=O)N[C@H](CC[NH3+])C(F)F)[C@@H]1CCOc2ccc(Br)cc21 ZINC000418739313 563223742 /nfs/dbraw/zinc/22/37/42/563223742.db2.gz MLYAMWKWJMBONB-VXGBXAGGSA-N 1 0 392.244 2.897 20 0 GFADRO [NH3+][C@@H]1CCC[C@H](CNC(=O)N2CCN(c3cccc(Br)c3)CC2)C1 ZINC000418717408 563223748 /nfs/dbraw/zinc/22/37/48/563223748.db2.gz JLJHMQMYWIZOHS-GOEBONIOSA-N 1 0 395.345 2.798 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2C(=O)Cc1cccc(Br)c1 ZINC000369770133 563223999 /nfs/dbraw/zinc/22/39/99/563223999.db2.gz CCBXQKXUJDCYTH-BRWVUGGUSA-N 1 0 381.314 2.702 20 0 GFADRO CN1CC[NH2+]C[C@H]1CNC(=O)N1CCC(c2ccc(Cl)cc2Cl)CC1 ZINC000418751384 563224496 /nfs/dbraw/zinc/22/44/96/563224496.db2.gz AJBWNJYCHCPLBF-HNNXBMFYSA-N 1 0 385.339 2.786 20 0 GFADRO CN(Cc1cc(Br)ccc1F)C(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000418742878 563224518 /nfs/dbraw/zinc/22/45/18/563224518.db2.gz CLNXMWXIZPHURX-LBPRGKRZSA-N 1 0 380.208 2.727 20 0 GFADRO CC(C)C[C@@](C)(NC(=O)NC[C@H]1C[NH2+]CCO1)c1cccc(Br)c1 ZINC000418768099 563224915 /nfs/dbraw/zinc/22/49/15/563224915.db2.gz ORAJBWCIYWBBLI-SJLPKXTDSA-N 1 0 398.345 2.998 20 0 GFADRO Cc1cc(Br)cc2c1CN(C(=O)N[C@@H]1C[NH2+]CCC1(F)F)CC2 ZINC000418773412 563225129 /nfs/dbraw/zinc/22/51/29/563225129.db2.gz VEYAUYXVKLKKOR-CQSZACIVSA-N 1 0 388.256 2.822 20 0 GFADRO [NH3+][C@H]1CCCN(C(=O)C(=O)N[C@@H](c2cccs2)c2ccc(Cl)cc2)C1 ZINC000418767317 563225144 /nfs/dbraw/zinc/22/51/44/563225144.db2.gz RXODOEIVTGGDDE-GOEBONIOSA-N 1 0 377.897 2.557 20 0 GFADRO O=C(N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)N1CCc2cccc(Br)c2C1 ZINC000418807032 563225821 /nfs/dbraw/zinc/22/58/21/563225821.db2.gz YULMWMKGQVAQTO-SOUVJXGZSA-N 1 0 378.314 2.905 20 0 GFADRO COCCN(Cc1sccc1Br)C(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000418804331 563225838 /nfs/dbraw/zinc/22/58/38/563225838.db2.gz ZDELERNMQXJKPY-NWDGAFQWSA-N 1 0 390.347 2.796 20 0 GFADRO COc1cc(C[NH2+][C@H](C)CC(C)(C)O)cc(I)c1OC ZINC000295031767 563226224 /nfs/dbraw/zinc/22/62/24/563226224.db2.gz LSDJRNYISYZLHG-SNVBAGLBSA-N 1 0 393.265 2.948 20 0 GFADRO CCCN(C(=O)C(=O)N[C@@H](C)c1cc(F)c(Cl)cc1Cl)[C@H]1CC[NH2+]C1 ZINC000418840960 563227405 /nfs/dbraw/zinc/22/74/05/563227405.db2.gz FTMRHODRKUEHKM-QWRGUYRKSA-N 1 0 390.286 2.910 20 0 GFADRO O=C(N[C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)C1)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000418891922 563229223 /nfs/dbraw/zinc/22/92/23/563229223.db2.gz MRYUKJKHUWUZRZ-IHRRRGAJSA-N 1 0 384.307 2.614 20 0 GFADRO CS(=O)(=O)c1cccc(Cl)c1C[NH2+][C@H]1CC[C@@H](C(=O)N2CCCC2)C1 ZINC000370049519 563231738 /nfs/dbraw/zinc/23/17/38/563231738.db2.gz JFBONNZBYLXPIP-KGLIPLIRSA-N 1 0 384.929 2.624 20 0 GFADRO C[NH2+]C[C@H]1CCCN(C(=O)C(=O)NCCCc2ccc(Cl)cc2Cl)C1 ZINC000419037233 563232379 /nfs/dbraw/zinc/23/23/79/563232379.db2.gz IEULNGIPFAZGNX-CYBMUJFWSA-N 1 0 386.323 2.500 20 0 GFADRO CCCC[C@H](C[NH3+])NC(=O)C(=O)N[C@H](C)CCc1ccc(Br)cc1 ZINC000419026084 563232646 /nfs/dbraw/zinc/23/26/46/563232646.db2.gz UAPIYSFGHXFWPP-CZUORRHYSA-N 1 0 398.345 2.520 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CCc3c2ccc(Cl)c3Cl)C1 ZINC000419089279 563233059 /nfs/dbraw/zinc/23/30/59/563233059.db2.gz CPKBAZGBPKKAPC-RWSFTLGLSA-N 1 0 384.307 2.683 20 0 GFADRO Cn1cc([C@@H]2C[N@H+](CCCc3ccccc3Br)C[C@H]2CO)cn1 ZINC000277939694 563233498 /nfs/dbraw/zinc/23/34/98/563233498.db2.gz ZFXIFNGRLHYLEK-IRXDYDNUSA-N 1 0 378.314 2.823 20 0 GFADRO CCCN(C(=O)C(=O)N[C@@H]1CCSc2ccc(Cl)cc21)[C@@H]1CC[NH2+]C1 ZINC000419250017 563235544 /nfs/dbraw/zinc/23/55/44/563235544.db2.gz YULJZYMGDRDVOL-UKRRQHHQSA-N 1 0 381.929 2.594 20 0 GFADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+]C[C@@H]1CCCCO1 ZINC000295212058 563235586 /nfs/dbraw/zinc/23/55/86/563235586.db2.gz ARAHYCJFCALBFZ-DOMZBBRYSA-N 1 0 385.302 2.621 20 0 GFADRO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1CC(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000419330555 563236848 /nfs/dbraw/zinc/23/68/48/563236848.db2.gz GBYCPWGBAJSSGN-GHMZBOCLSA-N 1 0 394.730 2.972 20 0 GFADRO NC(=O)[C@@H]([NH2+][C@@H]1CCN(c2ccc(F)cc2)C1)c1ccc(Br)cc1 ZINC000419332385 563237352 /nfs/dbraw/zinc/23/73/52/563237352.db2.gz HPNOJOVJORNWCL-WBVHZDCISA-N 1 0 392.272 2.983 20 0 GFADRO COC1(C(F)(F)F)CC[NH+](CCc2c(C)nc3sccn3c2=O)CC1 ZINC000419356932 563238661 /nfs/dbraw/zinc/23/86/61/563238661.db2.gz TZEOISGGVIATBG-UHFFFAOYSA-N 1 0 375.416 2.650 20 0 GFADRO COCCCC[N@H+](C)CC(=O)Nc1ccccc1I ZINC000419376937 563239620 /nfs/dbraw/zinc/23/96/20/563239620.db2.gz AAMUMESPHOPUBI-UHFFFAOYSA-N 1 0 376.238 2.588 20 0 GFADRO C[C@H](C(=O)N1CCC[C@H]1c1cccs1)N1CC[NH+]([C@H]2CCSC2)CC1 ZINC000370408220 563242526 /nfs/dbraw/zinc/24/25/26/563242526.db2.gz YRSZXPPIFZORCO-IKGGRYGDSA-N 1 0 379.595 2.923 20 0 GFADRO C[C@H](Cc1c(Cl)cccc1Cl)NC(=O)C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000419590678 563242684 /nfs/dbraw/zinc/24/26/84/563242684.db2.gz KIDDWTLBDXBEHZ-CHWSQXEVSA-N 1 0 386.323 2.547 20 0 GFADRO C[C@H](Cc1c(Cl)cccc1Cl)NC(=O)C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000419590680 563242697 /nfs/dbraw/zinc/24/26/97/563242697.db2.gz KIDDWTLBDXBEHZ-OLZOCXBDSA-N 1 0 386.323 2.547 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)NCC(C)(C)c2c(Cl)cccc2Cl)C1 ZINC000419698149 563246881 /nfs/dbraw/zinc/24/68/81/563246881.db2.gz SCAYFJGUQAXYIU-NWDGAFQWSA-N 1 0 386.323 2.583 20 0 GFADRO CC(C)(CNC(=O)C(=O)N[C@@H]1CCC[C@@H]1C[NH3+])c1c(Cl)cccc1Cl ZINC000419701245 563246965 /nfs/dbraw/zinc/24/69/65/563246965.db2.gz YYMJZGHCOCCOTA-BXUZGUMPSA-N 1 0 386.323 2.631 20 0 GFADRO CN(C)c1ncc(C[NH2+][C@H]2CCN(c3cccc(Br)c3)C2)n1C ZINC000419736224 563248796 /nfs/dbraw/zinc/24/87/96/563248796.db2.gz WXPATKPATRUWCW-AWEZNQCLSA-N 1 0 378.318 2.617 20 0 GFADRO CC[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)N1CCC[C@@H]1C[NH2+]C ZINC000419751867 563249405 /nfs/dbraw/zinc/24/94/05/563249405.db2.gz LEZBPUDHOOGBKO-HUUCEWRRSA-N 1 0 386.323 2.641 20 0 GFADRO O=C(NCCOc1ncc(C(F)(F)F)cc1Cl)[C@H]1C[NH+]2CCC1CC2 ZINC000370612976 563250322 /nfs/dbraw/zinc/25/03/22/563250322.db2.gz UHIJUXBSHDVIPI-LBPRGKRZSA-N 1 0 377.794 2.591 20 0 GFADRO C[C@H](Cn1cc(Br)cn1)[NH2+]C1CCN(Cc2cscn2)CC1 ZINC000370638561 563250786 /nfs/dbraw/zinc/25/07/86/563250786.db2.gz YBQRPSKJTPPQQS-GFCCVEGCSA-N 1 0 384.347 2.745 20 0 GFADRO CCC[C@H](O)[C@@H](CO)[NH2+]Cc1ccc(Br)c(Br)c1 ZINC000419813654 563251507 /nfs/dbraw/zinc/25/15/07/563251507.db2.gz ITMFSSUYBFSRHF-OLZOCXBDSA-N 1 0 381.108 2.823 20 0 GFADRO COCCO[C@@H]1C[C@@H](CO)C[N@H+](CCOc2ccc(Cl)cc2Cl)C1 ZINC000278358201 563251631 /nfs/dbraw/zinc/25/16/31/563251631.db2.gz RDCGLLXYHUYXQR-UKRRQHHQSA-N 1 0 378.296 2.718 20 0 GFADRO O=C(NC[C@@H]1CCC[NH2+]C1)C(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000419877608 563252573 /nfs/dbraw/zinc/25/25/73/563252573.db2.gz FVWVHUCAHCZHIM-WBMJQRKESA-N 1 0 384.307 2.773 20 0 GFADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C[C@@H](O)c1ccc(Br)cc1 ZINC000278381708 563252877 /nfs/dbraw/zinc/25/28/77/563252877.db2.gz CXGBCNWMPGDKMF-KBXCAEBGSA-N 1 0 383.330 2.668 20 0 GFADRO COc1ccc(Br)c(CN2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)c1 ZINC000370710616 563253120 /nfs/dbraw/zinc/25/31/20/563253120.db2.gz UKWTUKHLHZWHPF-HNAYVOBHSA-N 1 0 396.373 2.916 20 0 GFADRO CC[C@@H](NC(=O)[C@H](C)C[NH2+]C)c1noc(-c2cccc(Br)c2)n1 ZINC000370772546 563254754 /nfs/dbraw/zinc/25/47/54/563254754.db2.gz LFJLABFWIABKJH-ZWNOBZJWSA-N 1 0 381.274 2.922 20 0 GFADRO CC(C)CN(Cc1ccccc1Br)C(=O)C(=O)NC[C@H]([NH3+])C(C)C ZINC000419979575 563255333 /nfs/dbraw/zinc/25/53/33/563255333.db2.gz PUKMEUHQXPFPNZ-INIZCTEOSA-N 1 0 398.345 2.533 20 0 GFADRO O=C(c1ccc(F)cc1I)N(C1CC1)C1CC[NH2+]CC1 ZINC000370788282 563255416 /nfs/dbraw/zinc/25/54/16/563255416.db2.gz QRHFGRITQPWCAW-UHFFFAOYSA-N 1 0 388.224 2.787 20 0 GFADRO C[C@H](CC[NH3+])NC(=O)C(=O)N1CCC(Cc2cc(Cl)ccc2Cl)CC1 ZINC000419993847 563256036 /nfs/dbraw/zinc/25/60/36/563256036.db2.gz KTTVECHMCRZYLL-GFCCVEGCSA-N 1 0 386.323 2.628 20 0 GFADRO CN(C(=O)c1ccccc1Br)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000370821140 563256380 /nfs/dbraw/zinc/25/63/80/563256380.db2.gz SRRQQKXXICPWAH-HNNXBMFYSA-N 1 0 380.330 2.690 20 0 GFADRO C[NH+](C)CC[C@@](C)(O)CNC(=O)c1cc(C(F)(F)F)ccc1Br ZINC000420025433 563256877 /nfs/dbraw/zinc/25/68/77/563256877.db2.gz ZUJXLKIRNBUGSH-CQSZACIVSA-N 1 0 397.235 2.900 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)N1CCC[C@H]([C@H](O)C(F)(F)F)C1)c1ccsc1 ZINC000278492423 563258741 /nfs/dbraw/zinc/25/87/41/563258741.db2.gz YYRJNHNEZXVEKN-YUTCNCBUSA-N 1 0 379.448 2.696 20 0 GFADRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)C(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000420190130 563259476 /nfs/dbraw/zinc/25/94/76/563259476.db2.gz GTSOGIOYOCSOTR-AXAPSJFSSA-N 1 0 384.307 2.901 20 0 GFADRO O=C(CNC(=O)c1ccc(Cl)c(Cl)c1)NCC1CC[NH+](C2CC2)CC1 ZINC000278505105 563259473 /nfs/dbraw/zinc/25/94/73/563259473.db2.gz IVQONDPDMYUVOO-UHFFFAOYSA-N 1 0 384.307 2.714 20 0 GFADRO Cn1cc([C@H]2[C@H](CNC(=O)c3ccc(Br)cc3)CCC[N@@H+]2C)cn1 ZINC000370905944 563259887 /nfs/dbraw/zinc/25/98/87/563259887.db2.gz SMXXVGNOHQVCJP-WMLDXEAASA-N 1 0 391.313 2.996 20 0 GFADRO CN1CC[NH+](C2(CNC(=O)C[C@@H]3CSCCS3)CCCCCC2)CC1 ZINC000370975903 563261574 /nfs/dbraw/zinc/26/15/74/563261574.db2.gz HYOYKMAUBIJEQQ-QGZVFWFLSA-N 1 0 385.643 2.682 20 0 GFADRO COc1cc(Br)c(C[NH2+][C@H]2CCCN(c3ccnn3C)C2)cc1O ZINC000278558098 563261770 /nfs/dbraw/zinc/26/17/70/563261770.db2.gz AOXSPWHBCQTXPA-ZDUSSCGKSA-N 1 0 395.301 2.655 20 0 GFADRO NC(=O)[C@@H](c1ccc(Br)cc1F)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000420337617 563262167 /nfs/dbraw/zinc/26/21/67/563262167.db2.gz ODJKOVVLEAFMAJ-HZPDHXFCSA-N 1 0 384.293 2.579 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH2+]C[C@@]1(O)CCO[C@@H]1C ZINC000278589123 563262376 /nfs/dbraw/zinc/26/23/76/563262376.db2.gz GQVUDBXTAXGSGT-KDOFPFPSSA-N 1 0 394.313 2.881 20 0 GFADRO C[C@H](N[C@H]1[C@@H](C)[NH2+]CC[C@@H]1C)C(=O)N(C)Cc1ccc(Br)cc1 ZINC000420374704 563262595 /nfs/dbraw/zinc/26/25/95/563262595.db2.gz SFBUAOUIIKFHSJ-QDEZUTFSSA-N 1 0 382.346 2.772 20 0 GFADRO COc1ccc(Br)cc1CC(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000278577700 563262621 /nfs/dbraw/zinc/26/26/21/563262621.db2.gz PURBWVHURIKCJL-AWEZNQCLSA-N 1 0 399.329 2.617 20 0 GFADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1Cc1cnc2ccc(Br)cn12 ZINC000278587621 563262753 /nfs/dbraw/zinc/26/27/53/563262753.db2.gz HWIKLNYNYCPQDV-AWEZNQCLSA-N 1 0 393.329 2.782 20 0 GFADRO O=S(=O)(c1ccc(F)c(C(F)(F)F)c1)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420450791 563263451 /nfs/dbraw/zinc/26/34/51/563263451.db2.gz AYDDCXQSGOJVIB-IAQYHMDHSA-N 1 0 380.407 2.997 20 0 GFADRO C[C@H]1[C@@H]([NH3+])CCN1S(=O)(=O)c1cc(Br)cc(C(F)(F)F)c1 ZINC000420423257 563263460 /nfs/dbraw/zinc/26/34/60/563263460.db2.gz GUHJBBYZEQCUJX-CPCISQLKSA-N 1 0 387.221 2.578 20 0 GFADRO C[C@@H]1CN(S(=O)(=O)c2cccc(Br)c2Cl)C[C@@]1(C)C[NH3+] ZINC000420457068 563263773 /nfs/dbraw/zinc/26/37/73/563263773.db2.gz IFVRIODQDWHAEU-NOZJJQNGSA-N 1 0 381.723 2.708 20 0 GFADRO C[C@@H]1CCN(Cc2nc(Cc3cccc(Br)c3)no2)C[C@@H]1C[NH3+] ZINC000420415699 563263914 /nfs/dbraw/zinc/26/39/14/563263914.db2.gz VCGIWYVRRNQLJX-OCCSQVGLSA-N 1 0 379.302 2.840 20 0 GFADRO O=S(=O)(c1ccc(CC(F)(F)F)cc1)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420459679 563264425 /nfs/dbraw/zinc/26/44/25/563264425.db2.gz KLOOOZSQSYEXIR-GOEBONIOSA-N 1 0 376.444 2.944 20 0 GFADRO Cc1ccc(Br)cc1S(=O)(=O)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420472716 563265098 /nfs/dbraw/zinc/26/50/98/563265098.db2.gz ZYXKMJNAAQMLHP-UKRRQHHQSA-N 1 0 387.343 2.910 20 0 GFADRO O=S(=O)(c1cc(F)ccc1Br)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420470265 563265144 /nfs/dbraw/zinc/26/51/44/563265144.db2.gz WOPBSYJTZIBHAI-SMDDNHRTSA-N 1 0 391.306 2.741 20 0 GFADRO COC(=O)c1coc([C@H](C)[NH2+]C[C@@H](O)COc2ccccc2Br)c1 ZINC000278662910 563265356 /nfs/dbraw/zinc/26/53/56/563265356.db2.gz ITUJEXSAZUHNIF-WCQYABFASA-N 1 0 398.253 2.919 20 0 GFADRO [NH3+][C@@H]1CN(S(=O)(=O)c2ccc(Br)cc2)C[C@H]1c1ccccc1F ZINC000420475099 563265959 /nfs/dbraw/zinc/26/59/59/563265959.db2.gz ZVOPYIIVLMCCHA-GOEBONIOSA-N 1 0 399.285 2.704 20 0 GFADRO C[C@H]1CCN(S(=O)(=O)c2cc(Cl)c(Br)cc2F)C[C@H]1C[NH3+] ZINC000420485257 563266030 /nfs/dbraw/zinc/26/60/30/563266030.db2.gz ZKRNQNLNGWJARK-DTWKUNHWSA-N 1 0 399.713 2.847 20 0 GFADRO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)CN1CCC2(CCOC2=O)CC1 ZINC000371152351 563266581 /nfs/dbraw/zinc/26/65/81/563266581.db2.gz WEPDXCUOFSITJM-UHFFFAOYSA-N 1 0 385.291 2.981 20 0 GFADRO COC(=O)[C@H]1CN(Cc2nnc(-c3ccc(Br)o3)o2)CC1(C)C ZINC000371150022 563266806 /nfs/dbraw/zinc/26/68/06/563266806.db2.gz CBEJDRCDKMQQKB-SECBINFHSA-N 1 0 384.230 2.723 20 0 GFADRO O=C(c1n[nH]c2ccc(Br)cc21)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000371234493 563269254 /nfs/dbraw/zinc/26/92/54/563269254.db2.gz FKMAIXHTWLPEOH-RISCZKNCSA-N 1 0 377.286 2.930 20 0 GFADRO CCS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000371244256 563269738 /nfs/dbraw/zinc/26/97/38/563269738.db2.gz MYZGIPRRMVOTMZ-DYVFJYSZSA-N 1 0 384.929 2.738 20 0 GFADRO O[C@H]1CCC[C@H]1[NH+]1CCN(CC2=Cc3cc(Br)ccc3OC2)CC1 ZINC000371325965 563272588 /nfs/dbraw/zinc/27/25/88/563272588.db2.gz HGCYOWZJRUTHAM-MSOLQXFVSA-N 1 0 393.325 2.756 20 0 GFADRO CC[C@@H](CS(=O)(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1)OC ZINC000420679853 563272898 /nfs/dbraw/zinc/27/28/98/563272898.db2.gz POXMENGLJILFEJ-KRWDZBQOSA-N 1 0 388.961 2.896 20 0 GFADRO Cc1ccc(F)c(C(=O)N[C@H](C)CC[NH+]2CCN(C)CC2)c1Br ZINC000278861375 563274372 /nfs/dbraw/zinc/27/43/72/563274372.db2.gz ULKHKVCNPFFVPS-CYBMUJFWSA-N 1 0 386.309 2.652 20 0 GFADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)Cc1cccc(Br)c1 ZINC000278917779 563276131 /nfs/dbraw/zinc/27/61/31/563276131.db2.gz UKQPMNGOPSYHDL-AWEZNQCLSA-N 1 0 381.314 2.703 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cc(F)ccc1I ZINC000371483215 563279200 /nfs/dbraw/zinc/27/92/00/563279200.db2.gz VBJIQELTUBAVNZ-VXGBXAGGSA-N 1 0 388.224 2.787 20 0 GFADRO COc1ccc(S(=O)(=O)N2CCC([NH2+]CCSC(F)(F)F)CC2)cc1 ZINC000371528013 563280113 /nfs/dbraw/zinc/28/01/13/563280113.db2.gz JYEBIXJOBDGPES-UHFFFAOYSA-N 1 0 398.472 2.691 20 0 GFADRO C[N@@H+]1CCC[C@@]2(CCN(S(=O)(=O)c3cc(F)ccc3OC(F)F)C2)C1 ZINC000420732033 563280403 /nfs/dbraw/zinc/28/04/03/563280403.db2.gz RPMJBRKSSAEEHT-MRXNPFEDSA-N 1 0 378.416 2.534 20 0 GFADRO CC(C)(CNS(=O)(=O)c1cc(F)ccc1OC(F)F)C[NH+]1CCCC1 ZINC000420732066 563280547 /nfs/dbraw/zinc/28/05/47/563280547.db2.gz SZRDNECKISQZOZ-UHFFFAOYSA-N 1 0 380.432 2.827 20 0 GFADRO C[NH+](C)C1CCC(NS(=O)(=O)c2cc(Br)c(F)cc2F)CC1 ZINC000420744698 563282216 /nfs/dbraw/zinc/28/22/16/563282216.db2.gz LFBFETVTTZLITJ-UHFFFAOYSA-N 1 0 397.285 2.878 20 0 GFADRO C[NH+](C)C1CCC(NS(=O)(=O)Cc2ccccc2Br)CC1 ZINC000420748906 563282936 /nfs/dbraw/zinc/28/29/36/563282936.db2.gz RHILVNZCTZSAPY-UHFFFAOYSA-N 1 0 375.332 2.741 20 0 GFADRO Cc1sc2c(cccc2C)c1S(=O)(=O)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000420751509 563283450 /nfs/dbraw/zinc/28/34/50/563283450.db2.gz OZEQKVUIWCMDFN-HNNXBMFYSA-N 1 0 382.551 2.643 20 0 GFADRO O=C(CCNC(=O)C12CCC[NH+]1CCC2)Nc1ccc(Br)cc1 ZINC000279153360 563285713 /nfs/dbraw/zinc/28/57/13/563285713.db2.gz FOBZFIXAFAYBJL-UHFFFAOYSA-N 1 0 380.286 2.522 20 0 GFADRO C[C@@H](NC(=O)C(=O)NCCCC[N@H+](C)C1CC1)c1ccc(Br)cc1 ZINC000420809608 563286705 /nfs/dbraw/zinc/28/67/05/563286705.db2.gz YRNPULFZPJMFNQ-CYBMUJFWSA-N 1 0 396.329 2.617 20 0 GFADRO CCN(C)C(=O)[C@@H]([NH2+][C@H](C)c1ccc(S(=O)(=O)C(F)F)cc1)C(C)C ZINC000296526880 563290780 /nfs/dbraw/zinc/29/07/80/563290780.db2.gz QGDGAUYBBVQXMB-DOMZBBRYSA-N 1 0 376.469 2.836 20 0 GFADRO C[C@@H](C[NH2+]C1CCN(S(=O)(=O)c2cccs2)CC1)N1CCC[C@H](C)C1 ZINC000371980607 563292568 /nfs/dbraw/zinc/29/25/68/563292568.db2.gz ZTTHQYXYECAWGA-HOTGVXAUSA-N 1 0 385.599 2.611 20 0 GFADRO CN(Cc1ccccc1Br)C(=O)C[N@@H+]1CC[C@H](O)CC12CCC2 ZINC000420990472 563292871 /nfs/dbraw/zinc/29/28/71/563292871.db2.gz FUIKKVGDPNPBAS-HNNXBMFYSA-N 1 0 381.314 2.787 20 0 GFADRO COC1([C@H](C)[NH2+]CC(=O)N(C)Cc2ccccc2Br)CCOCC1 ZINC000421040448 563294090 /nfs/dbraw/zinc/29/40/90/563294090.db2.gz XDMFQCRSIYKXNY-AWEZNQCLSA-N 1 0 399.329 2.581 20 0 GFADRO O=C(NCCc1ccccc1Br)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC000279485021 563297801 /nfs/dbraw/zinc/29/78/01/563297801.db2.gz MVAHWSBVBMKVCT-KRWDZBQOSA-N 1 0 381.314 2.751 20 0 GFADRO COC(=O)C1CC[NH+](CCCNC(=O)[C@@H]2C[C@H]2c2ccc(Cl)s2)CC1 ZINC000279519202 563299514 /nfs/dbraw/zinc/29/95/14/563299514.db2.gz OEVCVRXTKKGAQL-ZIAGYGMSSA-N 1 0 384.929 2.896 20 0 GFADRO C[NH2+]Cc1cccc(NC(=O)c2sccc2S(=O)(=O)N2CCCC2)c1 ZINC000296842692 563304249 /nfs/dbraw/zinc/30/42/49/563304249.db2.gz CAXKAHSMCIHFRT-UHFFFAOYSA-N 1 0 379.507 2.504 20 0 GFADRO COc1nc(C)c(Br)cc1C(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000296852037 563304905 /nfs/dbraw/zinc/30/49/05/563304905.db2.gz GERKGLZPSPDYLG-UHFFFAOYSA-N 1 0 382.302 2.908 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N(C)C[C@H]2CCC[N@@H+]2C)c(Br)c1 ZINC000421293517 563305913 /nfs/dbraw/zinc/30/59/13/563305913.db2.gz DOFAFQQOTKFKKO-CYBMUJFWSA-N 1 0 382.302 2.557 20 0 GFADRO CCCN1C[C@@H](C[NH2+]Cc2cnc3c(C)cc(Br)cn23)CC1=O ZINC000421345258 563307936 /nfs/dbraw/zinc/30/79/36/563307936.db2.gz AFWATUFMAYDSEB-CYBMUJFWSA-N 1 0 379.302 2.753 20 0 GFADRO COc1cc(C[N@H+](C[C@@H](O)CO)C(C)C)cc(Br)c1OC(F)F ZINC000421410975 563309832 /nfs/dbraw/zinc/30/98/32/563309832.db2.gz PZYRRJUVORQEOS-LLVKDONJSA-N 1 0 398.244 2.623 20 0 GFADRO COc1cc(Br)c(C[N@@H+]2CC[C@]3(C2)CCCN(C)C3=O)cc1OC ZINC000372557302 563310943 /nfs/dbraw/zinc/31/09/43/563310943.db2.gz MIWKWVZDBFSDCS-SFHVURJKSA-N 1 0 397.313 2.911 20 0 GFADRO C[C@@H](N[C@@H]1CCN(C(=O)c2cccnc2)C1)c1ncc(Br)cc1F ZINC000372607345 563312026 /nfs/dbraw/zinc/31/20/26/563312026.db2.gz DEZMOMRGUDSGSX-BXUZGUMPSA-N 1 0 393.260 2.944 20 0 GFADRO Cc1ccc(CC(=O)NC[C@@H]2CCC[C@H]2[NH+]2CCOCC2)cc1Br ZINC000372673542 563313782 /nfs/dbraw/zinc/31/37/82/563313782.db2.gz IWSWXEUAOVOBAN-FUHWJXTLSA-N 1 0 395.341 2.917 20 0 GFADRO COc1nc(N(C)C2CC[NH+](Cc3ccncc3)CC2)ncc1Br ZINC000372698237 563314768 /nfs/dbraw/zinc/31/47/68/563314768.db2.gz AUFLZDVYFCCBAU-UHFFFAOYSA-N 1 0 392.301 2.744 20 0 GFADRO C[C@@H](CO)[N@@H+]1CCCN(C(=O)Nc2ccc(Cl)c(OC(F)F)c2)CC1 ZINC000372733334 563315410 /nfs/dbraw/zinc/31/54/10/563315410.db2.gz WUVXSPQKFJQUJX-NSHDSACASA-N 1 0 377.819 2.862 20 0 GFADRO CCS(=O)(=O)c1ccc(CNC(=O)NCC2([NH+](C)C)CCCCC2)s1 ZINC000279994397 563317792 /nfs/dbraw/zinc/31/77/92/563317792.db2.gz OZMYFMPZXIHQJN-UHFFFAOYSA-N 1 0 387.571 2.605 20 0 GFADRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)c1cnn(-c2ccc(Br)cc2)c1 ZINC000421705789 563319774 /nfs/dbraw/zinc/31/97/74/563319774.db2.gz SEMAGMKWXYHUTL-INIZCTEOSA-N 1 0 377.286 2.801 20 0 GFADRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)c1cc(Br)cnc1OCC1CC1 ZINC000421709525 563319803 /nfs/dbraw/zinc/31/98/03/563319803.db2.gz FRKGASJCSHODHF-CQSZACIVSA-N 1 0 382.302 2.799 20 0 GFADRO C[C@@H](NCC1=CC[N@H+](C)CC1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000280032569 563319838 /nfs/dbraw/zinc/31/98/38/563319838.db2.gz IFZFVIKEVGSMJZ-SNVBAGLBSA-N 1 0 378.325 2.553 20 0 GFADRO O=C(NCCC[NH+]1CCC(O)CC1)c1cc(F)c(Br)cc1Cl ZINC000280052733 563320555 /nfs/dbraw/zinc/32/05/55/563320555.db2.gz HOPORKATWYPZFP-UHFFFAOYSA-N 1 0 393.684 2.818 20 0 GFADRO CS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)s1 ZINC000421765699 563321077 /nfs/dbraw/zinc/32/10/77/563321077.db2.gz ZVLCBCBRVKNZQY-HNNXBMFYSA-N 1 0 384.567 2.880 20 0 GFADRO Cc1cc(C[C@H](C)[NH2+][C@H](C)c2cc(S(N)(=O)=O)c(Cl)cc2Cl)[nH]n1 ZINC000280081078 563321546 /nfs/dbraw/zinc/32/15/46/563321546.db2.gz LUBAGYVTCBXGHW-WCBMZHEXSA-N 1 0 391.324 2.954 20 0 GFADRO C[C@@H]1CN(C(=O)NCc2ccc(O)c(Br)c2)CC[N@@H+](C2CC2)C1 ZINC000297276621 563322289 /nfs/dbraw/zinc/32/22/89/563322289.db2.gz KXLAOHHQDNKFJM-LBPRGKRZSA-N 1 0 382.302 2.780 20 0 GFADRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)Nc1nc2cc(Br)ccn2n1 ZINC000297368463 563324716 /nfs/dbraw/zinc/32/47/16/563324716.db2.gz SYZWQYAZRRUMOY-LLVKDONJSA-N 1 0 395.305 2.686 20 0 GFADRO O=C(Nc1ccc(OC(F)F)c(Cl)c1)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000297393614 563325492 /nfs/dbraw/zinc/32/54/92/563325492.db2.gz HKXNSYKDDBVIQB-GFCCVEGCSA-N 1 0 377.819 2.910 20 0 GFADRO Cc1ccc(-n2nc(Br)cc2C(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)cc1 ZINC000373045320 563327191 /nfs/dbraw/zinc/32/71/91/563327191.db2.gz XKUUVRVQFWUVCB-ZFWWWQNUSA-N 1 0 389.297 2.767 20 0 GFADRO C[C@H](CO)[N@@H+]1CCCN(C(=O)c2ccc(Br)c(Cl)c2F)CC1 ZINC000373071052 563328017 /nfs/dbraw/zinc/32/80/17/563328017.db2.gz QOKVBIKLHWQIGX-SNVBAGLBSA-N 1 0 393.684 2.770 20 0 GFADRO Cn1cc([C@H]2[C@@H](CNC(=O)c3ccoc3Br)CCC[N@@H+]2C)cn1 ZINC000373106165 563328565 /nfs/dbraw/zinc/32/85/65/563328565.db2.gz GEEKMUALINMRAT-BXUZGUMPSA-N 1 0 381.274 2.589 20 0 GFADRO Cc1c(Br)cc(C(=O)N2CCC([NH2+]C3CCCC3)CC2)c(=O)n1C ZINC000373130293 563329185 /nfs/dbraw/zinc/32/91/85/563329185.db2.gz KDANZYAKCYCUDR-UHFFFAOYSA-N 1 0 396.329 2.593 20 0 GFADRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C1(c2cccc(Br)c2)CC(=O)C1 ZINC000422045851 563329390 /nfs/dbraw/zinc/32/93/90/563329390.db2.gz ZJSMUYMZVRGHRW-HNNXBMFYSA-N 1 0 379.298 2.602 20 0 GFADRO C[C@@H]1C[N@H+](C[C@@H](O)COc2ccc(Cl)cc2Cl)C[C@]2(CCOC2)O1 ZINC000280271484 563329628 /nfs/dbraw/zinc/32/96/28/563329628.db2.gz CTNHJFKVFZJPCG-MRRJBJDNSA-N 1 0 376.280 2.613 20 0 GFADRO CN(CCn1cc(Br)cn1)C(=O)NCCCCC[NH+]1CCCC1 ZINC000297650490 563332632 /nfs/dbraw/zinc/33/26/32/563332632.db2.gz DNRXRUYPWBBYBD-UHFFFAOYSA-N 1 0 386.338 2.553 20 0 GFADRO Cc1nccc(CN2CCC[C@@H]([NH2+]Cc3csc(Br)c3)C2=O)n1 ZINC000373369647 563336051 /nfs/dbraw/zinc/33/60/51/563336051.db2.gz MNAGKEMMXPCOPJ-CQSZACIVSA-N 1 0 395.326 2.890 20 0 GFADRO CC[N@@H+]1CCCN(C(=O)Nc2ccnn2-c2ccc(Br)cn2)CC1 ZINC000280438267 563337347 /nfs/dbraw/zinc/33/73/47/563337347.db2.gz JVZWIRASLWNSFP-UHFFFAOYSA-N 1 0 393.289 2.589 20 0 GFADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1cc(F)c(Br)cc1Cl ZINC000373473064 563339580 /nfs/dbraw/zinc/33/95/80/563339580.db2.gz GPURZUMFWNEQEK-UWVGGRQHSA-N 1 0 391.668 2.835 20 0 GFADRO C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1NC(=O)c1csc(C(F)(F)F)n1 ZINC000373508983 563340978 /nfs/dbraw/zinc/34/09/78/563340978.db2.gz NFVKHPUJUNUJOH-GRYCIOLGSA-N 1 0 377.432 2.781 20 0 GFADRO CCS(=O)(=O)c1ccc(C[NH2+]Cc2cn(C)nc2-c2ccncc2)s1 ZINC000280512149 563341161 /nfs/dbraw/zinc/34/11/61/563341161.db2.gz GYJISJCIRSVGSU-UHFFFAOYSA-N 1 0 376.507 2.627 20 0 GFADRO COc1ccc(I)c(NC(=O)NC(C)(C)CC[NH3+])c1 ZINC000422557460 563343245 /nfs/dbraw/zinc/34/32/45/563343245.db2.gz JZXMYEOPUGVGDF-UHFFFAOYSA-N 1 0 377.226 2.549 20 0 GFADRO CCN(CC)S(=O)(=O)c1cc(NC(=O)NC(C)(C)CC[NH3+])ccc1Cl ZINC000422557731 563343546 /nfs/dbraw/zinc/34/35/46/563343546.db2.gz LHELVGDZTJDAHB-UHFFFAOYSA-N 1 0 390.937 2.619 20 0 GFADRO CC(C)(CC[NH3+])NC(=O)NCC1(c2cccc(Br)c2)CCOCC1 ZINC000422591144 563343942 /nfs/dbraw/zinc/34/39/42/563343942.db2.gz BPLCKCYLDGTHQU-UHFFFAOYSA-N 1 0 398.345 2.924 20 0 GFADRO CC(C)(CC[NH3+])NC(=O)N[C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O ZINC000422621630 563345073 /nfs/dbraw/zinc/34/50/73/563345073.db2.gz RAERVMPVJJUKMG-CYBMUJFWSA-N 1 0 387.311 2.915 20 0 GFADRO C[C@@H]1C[N@H+](C[C@H](O)COc2cc(Cl)ccc2Cl)C[C@]2(CCOC2)O1 ZINC000280648808 563347750 /nfs/dbraw/zinc/34/77/50/563347750.db2.gz YYDSMCKRHHIVQM-IFIJOSMWSA-N 1 0 376.280 2.613 20 0 GFADRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)Nc1cc(Cl)c(N)c(Cl)c1 ZINC000298257744 563349158 /nfs/dbraw/zinc/34/91/58/563349158.db2.gz VBRHOSBWSMPBDU-MNOVXSKESA-N 1 0 387.311 2.751 20 0 GFADRO CCOC(=O)[C@H]1NCC[C@H]1[NH2+]CCOc1c(Cl)cc(Cl)cc1Cl ZINC000422835365 563349818 /nfs/dbraw/zinc/34/98/18/563349818.db2.gz IMMLACVJIGKFLM-OLZOCXBDSA-N 1 0 381.687 2.909 20 0 GFADRO CN(CC(=O)Nc1ccccc1Br)C(=O)[C@H]1[NH2+]CCCC1(C)C ZINC000422929161 563350481 /nfs/dbraw/zinc/35/04/81/563350481.db2.gz OLSQNEARZGTWFG-OAHLLOKOSA-N 1 0 382.302 2.624 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)[C@H]1C[C@@H](C)CC[NH2+]1 ZINC000422930299 563350866 /nfs/dbraw/zinc/35/08/66/563350866.db2.gz SUECRXBNNGDIJK-XHDPSFHLSA-N 1 0 382.302 2.543 20 0 GFADRO C[C@@H]([NH3+])[C@@H](Cc1ccccc1)NCCNC(=O)c1cccc(Br)c1 ZINC000422958211 563351428 /nfs/dbraw/zinc/35/14/28/563351428.db2.gz XBUYMMWGHJXWGC-RDTXWAMCSA-N 1 0 390.325 2.727 20 0 GFADRO Brc1ccc(N2CC[C@H](C[NH2+][C@H](C3CC3)[C@H]3CNCCO3)C2)cc1 ZINC000422950716 563351531 /nfs/dbraw/zinc/35/15/31/563351531.db2.gz WONTVTWSVDUQHQ-NIKGAXFTSA-N 1 0 394.357 2.632 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)[C@H]1[NH2+]CCCC1(C)C ZINC000422938880 563351564 /nfs/dbraw/zinc/35/15/64/563351564.db2.gz LDSACUJGJOYBRY-OAHLLOKOSA-N 1 0 382.302 2.590 20 0 GFADRO C[C@@H](NCc1ccc(Br)cc1N1CCOCC1)[C@@H]1CCCC[NH2+]1 ZINC000422994020 563352436 /nfs/dbraw/zinc/35/24/36/563352436.db2.gz UOCVBPVLOSULLY-PBHICJAKSA-N 1 0 382.346 2.906 20 0 GFADRO CCCCOCCC[NH2+][C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000280752662 563352606 /nfs/dbraw/zinc/35/26/06/563352606.db2.gz PZPMRDLGMZBNEK-LBPRGKRZSA-N 1 0 393.347 2.954 20 0 GFADRO COC(C)(C)C[C@H](C)[NH2+][C@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000280768344 563353026 /nfs/dbraw/zinc/35/30/26/563353026.db2.gz REQPNJWYNPUMRP-WDEREUQCSA-N 1 0 393.347 2.951 20 0 GFADRO Cc1nn(CCS(C)(=O)=O)c(C)c1C[N@H+]1C[C@H](c2ccsc2)C[C@H]1C ZINC000373898974 563354926 /nfs/dbraw/zinc/35/49/26/563354926.db2.gz IIRYNNQHVSHGNZ-CXAGYDPISA-N 1 0 381.567 2.984 20 0 GFADRO O=S(=O)(c1cccc(Br)c1F)N1CCC([NH+]2CCCC2)CC1 ZINC000373950250 563356360 /nfs/dbraw/zinc/35/63/60/563356360.db2.gz MGUNQHSBVHSTOC-UHFFFAOYSA-N 1 0 391.306 2.837 20 0 GFADRO Brc1cccc2[nH]cc(CC[NH2+][C@@H](C3CC3)[C@@H]3CNCCO3)c21 ZINC000423121189 563356396 /nfs/dbraw/zinc/35/63/96/563356396.db2.gz IDZZYZGWSOLTAF-WMZOPIPTSA-N 1 0 378.314 2.830 20 0 GFADRO COc1ccc(C[C@H](CO)CN[C@H](C)[C@@H]2CCCC[NH2+]2)cc1Br ZINC000423165758 563357784 /nfs/dbraw/zinc/35/77/84/563357784.db2.gz UVHDXTKIMWSKIM-KMFMINBZSA-N 1 0 385.346 2.729 20 0 GFADRO CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000423195010 563358570 /nfs/dbraw/zinc/35/85/70/563358570.db2.gz XDRBEZKVKORBIR-JSGCOSHPSA-N 1 0 386.323 2.928 20 0 GFADRO CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000423175524 563358739 /nfs/dbraw/zinc/35/87/39/563358739.db2.gz DWVNWMKKYCMXFP-XEZPLFJOSA-N 1 0 384.307 2.538 20 0 GFADRO COC[C@]1(C(=O)NCc2cc(Cl)cc(Cl)c2OC(F)F)CC[NH2+]C1 ZINC000423251947 563359747 /nfs/dbraw/zinc/35/97/47/563359747.db2.gz SPQAQARBGHDVHC-HNNXBMFYSA-N 1 0 383.222 2.837 20 0 GFADRO C[NH2+]C[C@H]1CCN(C(=O)C(=O)N2CCc3c(Cl)cc(Cl)cc3[C@@H]2C)C1 ZINC000423545954 563362198 /nfs/dbraw/zinc/36/21/98/563362198.db2.gz PQDIEWJLHPIMQM-NWDGAFQWSA-N 1 0 384.307 2.507 20 0 GFADRO O=C(C(=O)N1CCC[NH2+]CC1)N1CCC(c2ccc(Cl)cc2Cl)CC1 ZINC000423609960 563362831 /nfs/dbraw/zinc/36/28/31/563362831.db2.gz MEYABRRWBCBJIF-UHFFFAOYSA-N 1 0 384.307 2.521 20 0 GFADRO CC(C)[C@@H]([NH2+]CCC(=O)Nc1ccccc1Br)c1nncn1C ZINC000298670309 563363401 /nfs/dbraw/zinc/36/34/01/563363401.db2.gz YMEUXFICZAOMLD-OAHLLOKOSA-N 1 0 380.290 2.893 20 0 GFADRO COCCOc1c(Cl)cc(NC(=O)[C@]2(COC)CC[NH2+]C2)cc1Cl ZINC000423836881 563363578 /nfs/dbraw/zinc/36/35/78/563363578.db2.gz ABMDYTSHJMKTDQ-MRXNPFEDSA-N 1 0 377.268 2.583 20 0 GFADRO [NH3+][C@@H]1CCC[C@H]2CN(S(=O)(=O)c3cccc(Cl)c3Br)C[C@@H]21 ZINC000374174014 563363840 /nfs/dbraw/zinc/36/38/40/563363840.db2.gz IHLVCTQOTYILBD-JBLDHEPKSA-N 1 0 393.734 2.850 20 0 GFADRO COC[C@H]([NH2+]CCC(=O)Nc1ccc(Br)cc1F)[C@H]1CCCO1 ZINC000298695528 563364019 /nfs/dbraw/zinc/36/40/19/563364019.db2.gz ZPWMWDAPSOKDHX-LSDHHAIUSA-N 1 0 389.265 2.700 20 0 GFADRO C[C@H]([NH2+]CCCc1ccccn1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000281040491 563364414 /nfs/dbraw/zinc/36/44/14/563364414.db2.gz GVVDALRIUGDNDI-LBPRGKRZSA-N 1 0 398.326 2.775 20 0 GFADRO CCC(=O)c1ccc(NC[C@H](c2cccs2)[NH+](C)C)c(S(N)(=O)=O)c1 ZINC000281049004 563364485 /nfs/dbraw/zinc/36/44/85/563364485.db2.gz WUDQEPKYBZYPQA-CQSZACIVSA-N 1 0 381.523 2.703 20 0 GFADRO O=C(CSCc1ccc(Cl)cc1)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000423943604 563364978 /nfs/dbraw/zinc/36/49/78/563364978.db2.gz CYXXFOKLUXRDLL-UHFFFAOYSA-N 1 0 381.973 2.906 20 0 GFADRO Cc1c(Br)cccc1C(=O)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000423941905 563365104 /nfs/dbraw/zinc/36/51/04/563365104.db2.gz AACCCPKSQJYEIY-UHFFFAOYSA-N 1 0 380.330 2.704 20 0 GFADRO [NH3+]C[C@@H](NC(=O)CCNC(=O)Nc1ccc(Br)cc1)C1CCCC1 ZINC000423951114 563365142 /nfs/dbraw/zinc/36/51/42/563365142.db2.gz YZUCMNNYLKLEFC-OAHLLOKOSA-N 1 0 397.317 2.594 20 0 GFADRO O=C(COc1ccc(Br)cc1F)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000423959882 563365468 /nfs/dbraw/zinc/36/54/68/563365468.db2.gz MZVUUJSQLKODEJ-DOMZBBRYSA-N 1 0 385.277 2.958 20 0 GFADRO [NH3+]C[C@H](NC(=O)c1cc(F)c(F)cc1I)C1CCCC1 ZINC000423968481 563365737 /nfs/dbraw/zinc/36/57/37/563365737.db2.gz UUQZDTCKAGAZTN-ZDUSSCGKSA-N 1 0 394.203 2.817 20 0 GFADRO COc1cc([C@H](C)[NH2+]CC2([S@](C)=O)CCC2)ccc1S(=O)(=O)C(F)F ZINC000281078675 563365785 /nfs/dbraw/zinc/36/57/85/563365785.db2.gz OWZZXGIVNMSYID-BUBHHJDNSA-N 1 0 395.493 2.643 20 0 GFADRO C[N@@H+]1CCN(CCNC(=O)N2CCSC[C@H]2c2cccs2)CC1(C)C ZINC000374231009 563365912 /nfs/dbraw/zinc/36/59/12/563365912.db2.gz PPJMNYWMLHGJRU-HNNXBMFYSA-N 1 0 382.599 2.574 20 0 GFADRO CC(C)(C)[C@H](C[NH3+])NC(=O)c1ncc(Br)cc1Br ZINC000423976450 563366256 /nfs/dbraw/zinc/36/62/56/563366256.db2.gz GAEYJELPSXUPBN-VIFPVBQESA-N 1 0 379.096 2.710 20 0 GFADRO O=C(c1csc(I)c1)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000423980737 563366584 /nfs/dbraw/zinc/36/65/84/563366584.db2.gz SJIRDGZHMQPVMR-PWSUYJOCSA-N 1 0 390.290 2.957 20 0 GFADRO COc1ccc([C@@H](CNS(=O)(=O)CCC(F)(F)F)[NH+]2CCCC2)cc1 ZINC000281155871 563367691 /nfs/dbraw/zinc/36/76/91/563367691.db2.gz KYKZDSZYQLACRS-OAHLLOKOSA-N 1 0 380.432 2.704 20 0 GFADRO [NH3+][C@@H]1CN(C(=O)COc2ccc(Br)cc2)C[C@H]1c1ccccc1F ZINC000424038553 563367972 /nfs/dbraw/zinc/36/79/72/563367972.db2.gz MKESMQAPALMYQN-DOTOQJQBSA-N 1 0 393.256 2.920 20 0 GFADRO O=C1N[C@H]2CC[N@@H+](Cc3ccc(Br)c4cccnc34)C[C@@H]2CO1 ZINC000281235091 563370655 /nfs/dbraw/zinc/37/06/55/563370655.db2.gz LHPBPNAJQOEQPN-DOMZBBRYSA-N 1 0 376.254 2.928 20 0 GFADRO CN(Cc1ccccc1Br)C(=O)C[N@@H+]1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000374401703 563371203 /nfs/dbraw/zinc/37/12/03/563371203.db2.gz RKFTWJFTLMHJAD-GDBMZVCRSA-N 1 0 381.314 2.766 20 0 GFADRO Cc1nn(C)c(C)c1[C@@H]1[C@@H](C[NH2+]Cc2ccc(Br)o2)CC(=O)N1C ZINC000424191099 563372356 /nfs/dbraw/zinc/37/23/56/563372356.db2.gz PIVOEAHETKGZPX-PXAZEXFGSA-N 1 0 395.301 2.702 20 0 GFADRO CC(C)(C)OC(=O)C(C)(C)CC[NH2+]Cc1ccc(S(N)(=O)=O)c(Cl)c1 ZINC000424191491 563372471 /nfs/dbraw/zinc/37/24/71/563372471.db2.gz RFWYJMFFHHSPEX-UHFFFAOYSA-N 1 0 390.933 2.835 20 0 GFADRO C[S@](=O)C1(CNC(=O)NCC2CC[NH+](Cc3cccs3)CC2)CCC1 ZINC000281350337 563374846 /nfs/dbraw/zinc/37/48/46/563374846.db2.gz DNBJFRMTQDZEKJ-VWLOTQADSA-N 1 0 383.583 2.561 20 0 GFADRO C[N@H+]1CC=C(CNS(=O)(=O)c2cc(Cl)ccc2Br)CC1 ZINC000281375906 563375252 /nfs/dbraw/zinc/37/52/52/563375252.db2.gz GJWBYECEKOWOJE-UHFFFAOYSA-N 1 0 379.707 2.643 20 0 GFADRO COc1ccc([C@H](C)[NH2+]C[C@H]2CCCCN2S(=O)(=O)N(C)C)c(Cl)c1 ZINC000424344267 563376224 /nfs/dbraw/zinc/37/62/24/563376224.db2.gz GOYMAQGASXKYGQ-UONOGXRCSA-N 1 0 389.949 2.660 20 0 GFADRO COC(=O)CC1CC([NH2+]CCC(=O)N(C)Cc2ccccc2Br)C1 ZINC000424289122 563376305 /nfs/dbraw/zinc/37/63/05/563376305.db2.gz ACEMABHGTNSQER-UHFFFAOYSA-N 1 0 397.313 2.729 20 0 GFADRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2S(=O)(=O)c2cc3c(cc2Cl)CCC3=O)C1 ZINC000374578739 563376686 /nfs/dbraw/zinc/37/66/86/563376686.db2.gz JWDGIXRSPRZMPQ-BBRMVZONSA-N 1 0 382.913 2.574 20 0 GFADRO Cc1sc2ncnc(SCC(=O)N3C[C@@H]4CCC[C@@H]([NH3+])[C@@H]4C3)c2c1C ZINC000374606154 563377122 /nfs/dbraw/zinc/37/71/22/563377122.db2.gz RKTJBSIPPZBLBG-BFHYXJOUSA-N 1 0 376.551 2.986 20 0 GFADRO C[C@H]1CC2(CN1S(=O)(=O)Cc1ccc(Br)cc1)CC[NH2+]CC2 ZINC000424386235 563377493 /nfs/dbraw/zinc/37/74/93/563377493.db2.gz DVWJOSBDWILGAI-ZDUSSCGKSA-N 1 0 387.343 2.743 20 0 GFADRO C[C@H]1CC2(CN1S(=O)(=O)c1ccc(CC(F)(F)F)cc1)CC[NH2+]CC2 ZINC000424387570 563377541 /nfs/dbraw/zinc/37/75/41/563377541.db2.gz GCBJTDWOGGASPS-ZDUSSCGKSA-N 1 0 376.444 2.944 20 0 GFADRO COCC[N@@H+]1CCCN(C(=O)c2cc3cc(Br)ccc3[nH]2)CC1 ZINC000299227951 563378366 /nfs/dbraw/zinc/37/83/66/563378366.db2.gz CQSYRMAQIXOMGR-UHFFFAOYSA-N 1 0 380.286 2.725 20 0 GFADRO CC(C)[C@@H]([NH3+])CNC(=O)NCc1cc(Cl)cc(I)c1 ZINC000424480700 563380010 /nfs/dbraw/zinc/38/00/10/563380010.db2.gz QJOQBJMHBYSSHF-LBPRGKRZSA-N 1 0 395.672 2.727 20 0 GFADRO CC[C@H](NC(=O)C(=O)N1CC2(C[C@H]1C)CC[NH2+]CC2)c1ccc(Cl)s1 ZINC000424536333 563380654 /nfs/dbraw/zinc/38/06/54/563380654.db2.gz AYZNAXWQCRATDN-OLZOCXBDSA-N 1 0 383.945 2.959 20 0 GFADRO CS(=O)(=O)Nc1c[nH]nc1[C@@H]1CCC[N@H+](CCSc2ccccc2)C1 ZINC000374812125 563383086 /nfs/dbraw/zinc/38/30/86/563383086.db2.gz ZSACQWUTRHVMCC-CQSZACIVSA-N 1 0 380.539 2.753 20 0 GFADRO O=C(Cc1noc2ccc(Br)cc21)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000424599210 563383133 /nfs/dbraw/zinc/38/31/33/563383133.db2.gz WBOMAJGTIBTIET-ZFWWWQNUSA-N 1 0 378.270 2.876 20 0 GFADRO CS(=O)(=O)N1CC[C@@H](C[N@@H+]2CCC[C@H](COc3ccccc3Cl)C2)C1 ZINC000374868719 563384575 /nfs/dbraw/zinc/38/45/75/563384575.db2.gz NCFISJRUJBHHBN-HOTGVXAUSA-N 1 0 386.945 2.712 20 0 GFADRO COc1ncc(C(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)cc1Br ZINC000424694166 563387799 /nfs/dbraw/zinc/38/77/99/563387799.db2.gz YLPYJEXTWWJGNP-AWEZNQCLSA-N 1 0 382.302 2.943 20 0 GFADRO Cc1sc(Br)c(C(=O)N[C@H](C)CC[NH+]2CCN(C)CC2)c1C ZINC000281838684 563388575 /nfs/dbraw/zinc/38/85/75/563388575.db2.gz MUGVIMFIJZSFTQ-LLVKDONJSA-N 1 0 388.375 2.883 20 0 GFADRO COc1ncc(C(=O)NC[C@@H]2CCC[N@H+](CC(C)C)C2)cc1Br ZINC000424738618 563389354 /nfs/dbraw/zinc/38/93/54/563389354.db2.gz PMXNAGCPYMPIMD-ZDUSSCGKSA-N 1 0 384.318 2.951 20 0 GFADRO CC[NH+]1CCC(NC(=O)N[C@@H]2COc3cc(F)c(Br)cc32)CC1 ZINC000281915274 563390424 /nfs/dbraw/zinc/39/04/24/563390424.db2.gz NPWAPQNOOPMEAB-CQSZACIVSA-N 1 0 386.265 2.805 20 0 GFADRO CC1CC[NH+](CCCNc2ccc(S(N)(=O)=O)c(C(F)(F)F)c2)CC1 ZINC000301156740 563394386 /nfs/dbraw/zinc/39/43/86/563394386.db2.gz AOPLMHAXFZYJMI-UHFFFAOYSA-N 1 0 379.448 2.887 20 0 GFADRO Cn1nc(Br)c2c1ncnc2N1CC[NH+](CCC(C)(C)C)CC1 ZINC000301180325 563396005 /nfs/dbraw/zinc/39/60/05/563396005.db2.gz YWQUPYDDJSTGFQ-UHFFFAOYSA-N 1 0 381.322 2.684 20 0 GFADRO CC[NH+]1CCC(N2CCCN(C(=O)c3cc(Br)oc3C)CC2)CC1 ZINC000424892242 563396114 /nfs/dbraw/zinc/39/61/14/563396114.db2.gz NOAKBVIWQLUIOG-UHFFFAOYSA-N 1 0 398.345 2.983 20 0 GFADRO [NH3+][C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnn(-c2cccc(Br)c2)c1 ZINC000375251784 563397721 /nfs/dbraw/zinc/39/77/21/563397721.db2.gz BAQAOQLRHNGWJT-MKZZRHPPSA-N 1 0 375.270 2.729 20 0 GFADRO COC(=O)c1ccc(CN2CCC(C(=O)NC3CC3)CC2)c(Br)c1 ZINC000375310456 563398940 /nfs/dbraw/zinc/39/89/40/563398940.db2.gz QMXQJTQTHMHLHL-UHFFFAOYSA-N 1 0 395.297 2.726 20 0 GFADRO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[NH2+][C@H]1CCC(=O)N[C@H]1C1CC1 ZINC000375332796 563399686 /nfs/dbraw/zinc/39/96/86/563399686.db2.gz DFNNGGYOEMBCOG-YJBOKZPZSA-N 1 0 384.307 2.599 20 0 GFADRO C[C@@H](c1cccc(Br)c1)N1CCN(CC[N@@H+]2CCCOCC2)CC1 ZINC000375338522 563400771 /nfs/dbraw/zinc/40/07/71/563400771.db2.gz RPRSPQDCTWDWTN-KRWDZBQOSA-N 1 0 396.373 2.850 20 0 GFADRO Cc1ncoc1C(=O)Nc1cc(Br)ccc1N(C)CC[NH+](C)C ZINC000425098626 563404817 /nfs/dbraw/zinc/40/48/17/563404817.db2.gz MEHVMLXQVCUJML-UHFFFAOYSA-N 1 0 381.274 2.996 20 0 GFADRO [NH3+][C@H]1CCC[C@]12CCN(C(=O)c1csc(I)c1)C2 ZINC000375456437 563405762 /nfs/dbraw/zinc/40/57/62/563405762.db2.gz HZHNVRUXXNOBMN-GXFFZTMASA-N 1 0 376.263 2.696 20 0 GFADRO COc1ccc(NC(=O)NCCN2CC[N@H+](C)C(C)(C)C2)cc1Br ZINC000282362337 563408799 /nfs/dbraw/zinc/40/87/99/563408799.db2.gz VIBZPEXFNYXGAR-UHFFFAOYSA-N 1 0 399.333 2.605 20 0 GFADRO Cc1cc(Br)cnc1NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000301621290 563408842 /nfs/dbraw/zinc/40/88/42/563408842.db2.gz NAOWKHBDRAQUAV-UHFFFAOYSA-N 1 0 376.302 2.911 20 0 GFADRO CSc1nc2ncnc(NC3CC[NH+]([C@H]4CCCC[C@H]4O)CC3)c2s1 ZINC000301679262 563410355 /nfs/dbraw/zinc/41/03/55/563410355.db2.gz FAKSLVRZKJAZHM-QWHCGFSZSA-N 1 0 379.555 2.988 20 0 GFADRO COCCC[NH+]1CCC(Nc2ncc(C)cc2I)CC1 ZINC000425224007 563412951 /nfs/dbraw/zinc/41/29/51/563412951.db2.gz KIFZOWCJXKWKHX-UHFFFAOYSA-N 1 0 389.281 2.907 20 0 GFADRO CSc1nc2ncnc(N3CC[C@H](OCC[NH+]4CCCCC4)C3)c2s1 ZINC000301847181 563413764 /nfs/dbraw/zinc/41/37/64/563413764.db2.gz NEFCSOXXHSLEBY-ZDUSSCGKSA-N 1 0 379.555 2.889 20 0 GFADRO CCOc1cc(C[NH2+]CC2([S@@](C)=O)CC2)cc(Br)c1OC ZINC000282516180 563414020 /nfs/dbraw/zinc/41/40/20/563414020.db2.gz XXOJVFKDDCCCAU-OAQYLSRUSA-N 1 0 376.316 2.857 20 0 GFADRO CCN(CCC[NH+]1CCCC1)c1ccc(S(N)(=O)=O)cc1C(F)(F)F ZINC000425250047 563414807 /nfs/dbraw/zinc/41/48/07/563414807.db2.gz CIBZKFJSLJNCSB-UHFFFAOYSA-N 1 0 379.448 2.665 20 0 GFADRO CNC(=O)[C@@]1(C)CCN(c2cc[nH+]c3cc(OC)c(Br)cc32)C1 ZINC000425253240 563415068 /nfs/dbraw/zinc/41/50/68/563415068.db2.gz CMQOVKYVIROEHA-KRWDZBQOSA-N 1 0 378.270 2.968 20 0 GFADRO COc1cc2[nH+]ccc(NC[C@H]3CCN(C)C(=O)C3)c2cc1Br ZINC000425269177 563416246 /nfs/dbraw/zinc/41/62/46/563416246.db2.gz SAJAGYPDMIVPMS-NSHDSACASA-N 1 0 378.270 2.708 20 0 GFADRO COCC(C)(C)[NH+]1CCN(Cc2cnc3ccc(Br)cn23)CC1 ZINC000425347758 563419013 /nfs/dbraw/zinc/41/90/13/563419013.db2.gz IHFNXCRRWXXTEY-UHFFFAOYSA-N 1 0 381.318 2.639 20 0 GFADRO O[C@@H]1[C@H](C[NH2+]Cc2cnc3ccc(Br)cn23)CCC12CCOCC2 ZINC000282649455 563419372 /nfs/dbraw/zinc/41/93/72/563419372.db2.gz HRSRQBLOENMGPL-SUMWQHHRSA-N 1 0 394.313 2.754 20 0 GFADRO COCCC[C@@H]([NH2+][C@@H](C)C(=O)NCCF)c1ccc(Br)cc1 ZINC000282704957 563421980 /nfs/dbraw/zinc/42/19/80/563421980.db2.gz LBNIRYCWPAEAFW-SWLSCSKDSA-N 1 0 375.282 2.981 20 0 GFADRO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NCc1ccc(S(=O)(=O)N(C)C)s1 ZINC000425435915 563422471 /nfs/dbraw/zinc/42/24/71/563422471.db2.gz UVDDTVFSAISDKN-RDJZCZTQSA-N 1 0 387.615 2.989 20 0 GFADRO O=C1C[C@@]2(CC[N@@H+](Cc3ncc(-c4ccccc4Br)o3)C2)CN1 ZINC000375903937 563422598 /nfs/dbraw/zinc/42/25/98/563422598.db2.gz IFSSPGCQDLTYDN-KRWDZBQOSA-N 1 0 376.254 2.816 20 0 GFADRO Cc1cc([C@@H](C)[NH2+]CC(=O)NCc2ccc(S(C)(=O)=O)cc2)c(C)s1 ZINC000425463220 563423880 /nfs/dbraw/zinc/42/38/80/563423880.db2.gz VWVCFBZMXFURQP-CYBMUJFWSA-N 1 0 380.535 2.735 20 0 GFADRO Brc1cnn(Cc2cnc(N3CC[C@H]([NH+]4CCCC4)C3)s2)c1 ZINC000302463921 563425188 /nfs/dbraw/zinc/42/51/88/563425188.db2.gz RZTWTHIDHPTUSM-ZDUSSCGKSA-N 1 0 382.331 2.825 20 0 GFADRO COC(=O)[C@@H]1C[N@H+](CCn2cc(C)cn2)C[C@H]1c1ccc(Br)cc1 ZINC000425505686 563425411 /nfs/dbraw/zinc/42/54/11/563425411.db2.gz BZLQWBUPMGAORE-DLBZAZTESA-N 1 0 392.297 2.843 20 0 GFADRO COCC(C)(C)[NH+]1CCN(Cc2nnc(-c3ccc(Br)o3)o2)CC1 ZINC000425514094 563426426 /nfs/dbraw/zinc/42/64/26/563426426.db2.gz PKIXQUCDGMYJDO-UHFFFAOYSA-N 1 0 399.289 2.635 20 0 GFADRO CC[N@H+](CCc1ccc(C(F)(F)F)cc1)CC1(O)CCS(=O)(=O)CC1 ZINC000425550149 563427152 /nfs/dbraw/zinc/42/71/52/563427152.db2.gz MKDHSVDAIDBZPN-UHFFFAOYSA-N 1 0 379.444 2.510 20 0 GFADRO O=C(c1n[nH]c2ccc(Br)cc21)N1CCC[C@@H]2C[NH2+]CCC[C@H]21 ZINC000376023386 563427219 /nfs/dbraw/zinc/42/72/19/563427219.db2.gz XRTPPTBQNTVSAC-IAQYHMDHSA-N 1 0 377.286 2.930 20 0 GFADRO COc1cc(C)c(Br)cc1C(=O)N1CCC[N@H+](CC(C)(C)O)CC1 ZINC000376076598 563429465 /nfs/dbraw/zinc/42/94/65/563429465.db2.gz QZLKYHOYUOEWMZ-UHFFFAOYSA-N 1 0 399.329 2.685 20 0 GFADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)Nc3ccccc3I)[C@H]2C1 ZINC000376167850 563431880 /nfs/dbraw/zinc/43/18/80/563431880.db2.gz TUCKZWMFSPYTHD-RISCZKNCSA-N 1 0 385.249 2.849 20 0 GFADRO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)Nc1cc(Cl)ccc1OC(F)F ZINC000425729422 563433584 /nfs/dbraw/zinc/43/35/84/563433584.db2.gz XYQCNZQYYOZFOR-SNVBAGLBSA-N 1 0 377.819 2.726 20 0 GFADRO CC[NH+](CC)[C@H](CNC(=O)c1ccc(C(N)=O)c(Cl)n1)c1ccsc1 ZINC000283052982 563433961 /nfs/dbraw/zinc/43/39/61/563433961.db2.gz OGPKIMYPAXNEPY-CQSZACIVSA-N 1 0 380.901 2.708 20 0 GFADRO O=S(=O)(c1c(Cl)cccc1Br)N1CC[C@H](N2CC=CC2)C1 ZINC000283129661 563436191 /nfs/dbraw/zinc/43/61/91/563436191.db2.gz ZRYHLYUVXQZWLZ-NSHDSACASA-N 1 0 391.718 2.737 20 0 GFADRO Cc1ccc(S(=O)(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c(Br)c1 ZINC000314663128 563439110 /nfs/dbraw/zinc/43/91/10/563439110.db2.gz FLIVSDUAEPQLJZ-ZFWWWQNUSA-N 1 0 387.343 2.910 20 0 GFADRO Cc1ccc(Br)cc1S(=O)(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000314690549 563439135 /nfs/dbraw/zinc/43/91/35/563439135.db2.gz IMQDQTGKZWZDTR-ZFWWWQNUSA-N 1 0 387.343 2.910 20 0 GFADRO CC[NH+](CC)CC1CCN(S(=O)(=O)c2cncc(Br)c2)CC1 ZINC000314847452 563440312 /nfs/dbraw/zinc/44/03/12/563440312.db2.gz SZVFDPLUNVXVPC-UHFFFAOYSA-N 1 0 390.347 2.587 20 0 GFADRO CCOc1ccc(Br)cc1S(=O)(=O)N1CCCC[C@H]1[C@H](C)[NH3+] ZINC000316478160 563441708 /nfs/dbraw/zinc/44/17/08/563441708.db2.gz WPQQSOIGKKPSFN-AAEUAGOBSA-N 1 0 391.331 2.738 20 0 GFADRO CCOc1ccc(Br)cc1S(=O)(=O)N[C@](C)(C[NH3+])CC(C)C ZINC000317199536 563442300 /nfs/dbraw/zinc/44/23/00/563442300.db2.gz UICRMBRKYHQWNX-HNNXBMFYSA-N 1 0 393.347 2.890 20 0 GFADRO O=S(=O)(c1ccc(Br)c(F)c1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000317829840 563443294 /nfs/dbraw/zinc/44/32/94/563443294.db2.gz PHPNLOKLSUIHBM-LBPRGKRZSA-N 1 0 391.306 2.837 20 0 GFADRO C[C@@H]1CN(CC(=O)N2CCc3sccc3[C@H]2c2cccs2)CC[C@H]1O ZINC000376499991 563443762 /nfs/dbraw/zinc/44/37/62/563443762.db2.gz IJVWGZDJORZGJW-MUKKUYKPSA-N 1 0 376.547 2.986 20 0 GFADRO C[NH+](C)Cc1ccc(C(=O)NC[C@@H](O)c2cccc(Br)c2)cc1 ZINC000283410412 563444101 /nfs/dbraw/zinc/44/41/01/563444101.db2.gz QYQIFFILILTKOJ-QGZVFWFLSA-N 1 0 377.282 2.974 20 0 GFADRO COc1ccc(Br)cc1C[N@@H+]1CC[C@@H](C(=O)NCC(F)(F)F)C1 ZINC000426144494 563445163 /nfs/dbraw/zinc/44/51/63/563445163.db2.gz FDKWLWAYQDDDNR-SNVBAGLBSA-N 1 0 395.219 2.958 20 0 GFADRO Cc1ccc(Br)nc1C(=O)N[C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@H]1C ZINC000376560062 563446796 /nfs/dbraw/zinc/44/67/96/563446796.db2.gz CLSDRBAPHGOHRW-QLFBSQMISA-N 1 0 396.329 2.772 20 0 GFADRO CCS(=O)(=O)c1ccc(Cl)c(C(=O)NC2CC([NH+]3CCCCC3)C2)c1 ZINC000376601084 563448016 /nfs/dbraw/zinc/44/80/16/563448016.db2.gz XQJKQGQXRKQMFD-UHFFFAOYSA-N 1 0 384.929 2.880 20 0 GFADRO [NH3+]C[C@H]1CCCC[C@@]12NC(=O)N(Cc1cc(F)ccc1Br)C2=O ZINC000321370044 563448155 /nfs/dbraw/zinc/44/81/55/563448155.db2.gz ZEJWUAHHGGXWLQ-BDJLRTHQSA-N 1 0 384.249 2.528 20 0 GFADRO C[C@H]([NH2+]C[C@@H]1CCn2ncc(C(N)=O)c2C1)c1ccc(Br)cc1 ZINC000376655178 563449281 /nfs/dbraw/zinc/44/92/81/563449281.db2.gz FIXODFIDXJTDOT-NWDGAFQWSA-N 1 0 377.286 2.658 20 0 GFADRO NC(=O)[C@H](Cc1ccccc1)[NH2+][C@@H]1CCOc2c(Br)cccc21 ZINC000283663313 563450410 /nfs/dbraw/zinc/45/04/10/563450410.db2.gz XOJJEQAFUVXXPZ-CVEARBPZSA-N 1 0 375.266 2.959 20 0 GFADRO CC[NH+](CC)[C@H](C)CNC(=O)COc1cccc(I)c1 ZINC000426440962 563450523 /nfs/dbraw/zinc/45/05/23/563450523.db2.gz BVUBCHLBFIYNNM-GFCCVEGCSA-N 1 0 390.265 2.517 20 0 GFADRO C[NH+](C)CCN1CCN(C(=O)c2ccc3cc(Br)ccc3c2)CC1 ZINC000325358746 563453595 /nfs/dbraw/zinc/45/35/95/563453595.db2.gz GZHKDNIWOGWEQN-UHFFFAOYSA-N 1 0 390.325 2.922 20 0 GFADRO COCC[N@@H+]1CC[C@H](NC(=O)c2cc(Cl)cc(F)c2Br)C1 ZINC000283892645 563458282 /nfs/dbraw/zinc/45/82/82/563458282.db2.gz IMCJXIVXCHUUFU-JTQLQIEISA-N 1 0 379.657 2.692 20 0 GFADRO O=C(c1cc(Cl)sc1Cl)N1CCN(CC[N@@H+]2CCCOCC2)CC1 ZINC000376922205 563458674 /nfs/dbraw/zinc/45/86/74/563458674.db2.gz IQUKAOYVUAZDCH-UHFFFAOYSA-N 1 0 392.352 2.535 20 0 GFADRO [NH3+]C[C@H]1Cc2ccccc2N(S(=O)(=O)c2cccc(Br)c2)C1 ZINC000328497687 563460591 /nfs/dbraw/zinc/46/05/91/563460591.db2.gz RIKJBWVRZVAXOV-GFCCVEGCSA-N 1 0 381.295 2.775 20 0 GFADRO O=C(c1ccc(Br)cn1)N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000427171411 563461248 /nfs/dbraw/zinc/46/12/48/563461248.db2.gz QUJQGFNNZIMBHE-HNNXBMFYSA-N 1 0 382.302 2.561 20 0 GFADRO O=S(=O)(C[C@H]1CCCO1)NC[C@@H](c1c(F)cccc1Cl)N1CCCC1 ZINC000328704421 563463320 /nfs/dbraw/zinc/46/33/20/563463320.db2.gz KPEGIWYFIGGYQE-CJNGLKHVSA-N 1 0 390.908 2.714 20 0 GFADRO CN(C)c1ccc(S(=O)(=O)NC[C@@H]2CC[N@H+](C)[C@H]2c2cccs2)cc1 ZINC000377208511 563466802 /nfs/dbraw/zinc/46/68/02/563466802.db2.gz KCGDWNITPIEXGF-KBXCAEBGSA-N 1 0 379.551 2.785 20 0 GFADRO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1CSCN1C(=O)c1ccc(Cl)cc1 ZINC000427486715 563467950 /nfs/dbraw/zinc/46/79/50/563467950.db2.gz KUUUJXFERPTIGE-CZUORRHYSA-N 1 0 383.945 2.700 20 0 GFADRO C[C@@H]1CCC[N@@H+]1C1CCN(C(=O)Cc2cc[nH]c(=O)c2Br)CC1 ZINC000377261076 563469310 /nfs/dbraw/zinc/46/93/10/563469310.db2.gz HDROOEXZAKIVJZ-GFCCVEGCSA-N 1 0 382.302 2.568 20 0 GFADRO Cc1cc(C(=O)N[C@H]2C[NH2+]CC[C@@H]2C)nn1-c1ccc(Br)cc1 ZINC000427563749 563469464 /nfs/dbraw/zinc/46/94/64/563469464.db2.gz GVXSMLNVVLAEFR-ZBEGNZNMSA-N 1 0 377.286 2.671 20 0 GFADRO Cc1ccc(NC(=O)C(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c(Br)c1 ZINC000377308109 563470175 /nfs/dbraw/zinc/47/01/75/563470175.db2.gz HHTACQVMZLJCDE-PBWFPOADSA-N 1 0 394.313 2.780 20 0 GFADRO C[C@H](Cc1ccc(F)cc1Br)[NH2+][C@@H]1CCN(c2ccn(C)n2)C1=O ZINC000377353153 563471641 /nfs/dbraw/zinc/47/16/41/563471641.db2.gz UUBGZYHFUYSANA-IAQYHMDHSA-N 1 0 395.276 2.648 20 0 GFADRO CCn1cc([C@H](C)[NH2+]CC(=O)Nc2ccc(I)cc2)cn1 ZINC000284387301 563473278 /nfs/dbraw/zinc/47/32/78/563473278.db2.gz PBKXZXIJEFKNDK-NSHDSACASA-N 1 0 398.248 2.797 20 0 GFADRO Cc1cc(Br)c(S(=O)(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)s1 ZINC000427809193 563476387 /nfs/dbraw/zinc/47/63/87/563476387.db2.gz YMDYGJSXGCCEFQ-DGCLKSJQSA-N 1 0 393.372 2.924 20 0 GFADRO CC(C)[N@@H+]1CCc2nc(CN3CC[C@@H](C(F)(F)F)[C@@H](CO)C3)sc2C1 ZINC000377691462 563483079 /nfs/dbraw/zinc/48/30/79/563483079.db2.gz AAUVBFKIHSBYNA-CHWSQXEVSA-N 1 0 377.476 2.902 20 0 GFADRO O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)C1(c2cccc(Br)c2)CC(=O)C1 ZINC000377730904 563484913 /nfs/dbraw/zinc/48/49/13/563484913.db2.gz AHRAZZKWRDLLQK-HOTGVXAUSA-N 1 0 391.309 2.793 20 0 GFADRO COc1ccc(CC[NH2+][C@@H](C)Cn2cc(Br)ccc2=O)cc1OC ZINC000428221407 563485043 /nfs/dbraw/zinc/48/50/43/563485043.db2.gz FTJDTOXQUQOZDE-ZDUSSCGKSA-N 1 0 395.297 2.849 20 0 GFADRO O=C(Nc1ccc(Cl)nc1)C(=O)NC1CC[NH+](Cc2cccs2)CC1 ZINC000377788642 563486347 /nfs/dbraw/zinc/48/63/47/563486347.db2.gz XNQWLWWVWILVJJ-UHFFFAOYSA-N 1 0 378.885 2.516 20 0 GFADRO CCS(=O)(=O)c1ccc([C@H](C)[NH2+][C@H](C)C(=O)NCc2cccs2)cc1 ZINC000284852947 563491986 /nfs/dbraw/zinc/49/19/86/563491986.db2.gz UDLOWTWNYAFFBB-UONOGXRCSA-N 1 0 380.535 2.897 20 0 GFADRO COC[C@@](C)(CC(=O)OC)[NH2+]CC(=O)N[C@@H](C)c1ccc(Cl)cc1Cl ZINC000428776388 563501544 /nfs/dbraw/zinc/50/15/44/563501544.db2.gz FDHCTVIBKVHPTH-APPDUMDISA-N 1 0 391.295 2.728 20 0 GFADRO C[C@@H]1CN(C(=O)Nc2ccccc2Br)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000378305940 563501780 /nfs/dbraw/zinc/50/17/80/563501780.db2.gz NMXIHRRQSZTYMV-RHSMWYFYSA-N 1 0 395.345 2.939 20 0 GFADRO C[NH+](C)CCN1CCCN(C(=O)C[C@@H](O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000378402038 563505214 /nfs/dbraw/zinc/50/52/14/563505214.db2.gz VSISPRDGMYYJPO-QGZVFWFLSA-N 1 0 388.339 2.513 20 0 GFADRO CC[NH+]1CCN([C@@H](C)CNS(=O)(=O)c2cc(C(C)C)ccc2Cl)CC1 ZINC000330529389 563509780 /nfs/dbraw/zinc/50/97/80/563509780.db2.gz RXXQMAOLSNAQON-HNNXBMFYSA-N 1 0 387.977 2.768 20 0 GFADRO C[C@H]([NH2+]Cc1ccc(S(=O)(=O)N(C)C)cc1)[C@@H]1OCCc2sccc21 ZINC000429124568 563509970 /nfs/dbraw/zinc/50/99/70/563509970.db2.gz VYPRBHGPLHMMCG-UGSOOPFHSA-N 1 0 380.535 2.791 20 0 GFADRO CC(=O)N[C@H](CC(=O)N1CCC[C@@H](C)[C@H]1C[NH3+])c1ccc(Br)cc1 ZINC000429125884 563510021 /nfs/dbraw/zinc/51/00/21/563510021.db2.gz DNUJUWCLCXHQLK-CSMYWGQOSA-N 1 0 396.329 2.602 20 0 GFADRO COc1cc(Br)c(CN2CCC([N@@H+]3CCO[C@H](C)C3)CC2)cc1O ZINC000378502158 563510060 /nfs/dbraw/zinc/51/00/60/563510060.db2.gz XOINCGRUDFHMMP-CYBMUJFWSA-N 1 0 399.329 2.848 20 0 GFADRO Cc1cc(CC(C)(C)[NH2+]CCN2CCCS2(=O)=O)ccc1Br ZINC000429235068 563512203 /nfs/dbraw/zinc/51/22/03/563512203.db2.gz PYMHGOCWICNXMV-UHFFFAOYSA-N 1 0 389.359 2.704 20 0 GFADRO COCC(C)(C)[N@H+](C)CC(=O)N(C)CCOc1ccc(Br)cc1 ZINC000429227220 563512386 /nfs/dbraw/zinc/51/23/86/563512386.db2.gz DFVKCFVCGHUNCH-UHFFFAOYSA-N 1 0 387.318 2.643 20 0 GFADRO C[NH2+]C[C@@H](C)CNC(=O)c1ccc(OCc2cc(C)on2)c(Br)c1 ZINC000429239186 563512788 /nfs/dbraw/zinc/51/27/88/563512788.db2.gz GKUJBMWSALEXQP-LLVKDONJSA-N 1 0 396.285 2.910 20 0 GFADRO COc1cc(Br)ccc1CCC[NH+]1CCN([C@@H]2CCOC2)CC1 ZINC000378651125 563513584 /nfs/dbraw/zinc/51/35/84/563513584.db2.gz NQJGJXPAHWICQF-QGZVFWFLSA-N 1 0 383.330 2.797 20 0 GFADRO CC1(C)Cc2ccc(Br)cc2[C@@H]1[NH2+]C[C@@H](O)CN1CCCC1=O ZINC000429312400 563514027 /nfs/dbraw/zinc/51/40/27/563514027.db2.gz WORBCFWAAHQBLS-PBHICJAKSA-N 1 0 381.314 2.645 20 0 GFADRO N#Cc1ccc(S(=O)(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)s1 ZINC000381148618 563515402 /nfs/dbraw/zinc/51/54/02/563515402.db2.gz JKKRSQVNIUVYOC-MRXNPFEDSA-N 1 0 375.519 2.810 20 0 GFADRO COCC[C@H](Cc1cccc(Br)c1)C(=O)N1C[C@H](C)[NH2+][C@@H](C)C1 ZINC000429386752 563515734 /nfs/dbraw/zinc/51/57/34/563515734.db2.gz NKKMDVBRRLRFNH-OFQRWUPVSA-N 1 0 383.330 2.853 20 0 GFADRO C[C@H]1CN(C[C@@H](O)COc2ccc(Br)cc2)CC[N@@H+](C2CCC2)C1 ZINC000429403846 563516053 /nfs/dbraw/zinc/51/60/53/563516053.db2.gz UIBWSIMTHPBVBS-MAUKXSAKSA-N 1 0 397.357 2.995 20 0 GFADRO C[NH2+]C[C@H]1CCN(C(=O)C2(c3ccc(Br)cc3)CCOCC2)C1 ZINC000429457752 563516767 /nfs/dbraw/zinc/51/67/67/563516767.db2.gz URBOTNJNQCYGLP-CQSZACIVSA-N 1 0 381.314 2.565 20 0 GFADRO CCN(CC)C(=O)C[C@@H](C)[NH2+]C[C@H](CO)Cc1cccc(Br)c1 ZINC000429434767 563516842 /nfs/dbraw/zinc/51/68/42/563516842.db2.gz RRXQLKXTCUMJHD-GDBMZVCRSA-N 1 0 385.346 2.837 20 0 GFADRO CS(=O)(=O)N1CCC[C@@H](C[NH2+][C@@H](CCO)c2ccc(Cl)c(Cl)c2)C1 ZINC000285383285 563518039 /nfs/dbraw/zinc/51/80/39/563518039.db2.gz BOFAGJDUWKVBCP-LRDDRELGSA-N 1 0 395.352 2.678 20 0 GFADRO C[NH+](C)[C@@H]1CCCN(CCS(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000429543091 563518299 /nfs/dbraw/zinc/51/82/99/563518299.db2.gz UJVDMCIBZWDSDY-OAHLLOKOSA-N 1 0 389.359 2.639 20 0 GFADRO Cc1cc(Br)ccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)C ZINC000285410837 563519587 /nfs/dbraw/zinc/51/95/87/563519587.db2.gz FVRLPLUIPHDEST-AYHJJNSGSA-N 1 0 394.357 2.931 20 0 GFADRO COc1ccc(C[NH2+][C@@H]2CCC(=O)N[C@H]2C(C)(C)C)c(Br)c1O ZINC000285443910 563520949 /nfs/dbraw/zinc/52/09/49/563520949.db2.gz IIPJENAWXHSAGN-BDJLRTHQSA-N 1 0 385.302 2.946 20 0 GFADRO CNC(=O)[C@H]1CCC[C@H]1[NH2+]CC(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000429773714 563522577 /nfs/dbraw/zinc/52/25/77/563522577.db2.gz LJBIZAJEZFADTE-CMPLNLGQSA-N 1 0 377.794 2.802 20 0 GFADRO C[N@@H+]1CC[C@H]2CCN(S(=O)(=O)c3cc(Cl)ccc3Br)[C@@H]2C1 ZINC000429819648 563523378 /nfs/dbraw/zinc/52/33/78/563523378.db2.gz JLEQSPYHMOOLIP-GXFFZTMASA-N 1 0 393.734 2.817 20 0 GFADRO CC(C)[C@H]([NH3+])c1cn(Cc2nnc(-c3ccccc3Br)o2)nn1 ZINC000391172947 563524292 /nfs/dbraw/zinc/52/42/92/563524292.db2.gz RQNZYZRJBKBYER-AWEZNQCLSA-N 1 0 377.246 2.795 20 0 GFADRO [NH3+]CCCOC1CCN(Cc2nc(-c3cccc(Br)c3)no2)CC1 ZINC000391788783 563525584 /nfs/dbraw/zinc/52/55/84/563525584.db2.gz FOFAVSNVNPIQQP-UHFFFAOYSA-N 1 0 395.301 2.829 20 0 GFADRO Cc1cc(NC(=O)CC[NH2+][C@](C)(CO)c2ccc(Br)cc2)no1 ZINC000285549322 563526543 /nfs/dbraw/zinc/52/65/43/563526543.db2.gz ULQBNGBFKZDHHK-MRXNPFEDSA-N 1 0 382.258 2.571 20 0 GFADRO CN(C)[C@H](CNCc1ncc(I)s1)c1ccco1 ZINC000285581857 563528043 /nfs/dbraw/zinc/52/80/43/563528043.db2.gz WYGUAFXNAUQZNO-SECBINFHSA-N 1 0 377.251 2.733 20 0 GFADRO C[C@H]([NH2+]C[C@H]1CCCN(S(C)(=O)=O)C1)c1ccc(Br)cc1F ZINC000285613749 563528866 /nfs/dbraw/zinc/52/88/66/563528866.db2.gz KHYFRRULMKPKJV-NWDGAFQWSA-N 1 0 393.322 2.910 20 0 GFADRO CCCOc1ccc(Br)cc1C[NH2+]CC1(S(C)(=O)=O)CC1 ZINC000393679160 563529225 /nfs/dbraw/zinc/52/92/25/563529225.db2.gz QMVAXEUVCCTPRQ-UHFFFAOYSA-N 1 0 376.316 2.905 20 0 GFADRO CC[C@@H]1C[C@@H](C)C[N@@H+]1CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000330960765 563529593 /nfs/dbraw/zinc/52/95/93/563529593.db2.gz XRUDRQWEDSZVIT-TZMCWYRMSA-N 1 0 387.933 2.649 20 0 GFADRO COCC[C@]1(C(=O)NCC(C)(C)c2ccc(Br)cc2)CC[NH2+]C1 ZINC000429953634 563530353 /nfs/dbraw/zinc/53/03/53/563530353.db2.gz UZHLJIWQYXGTHL-GOSISDBHSA-N 1 0 383.330 2.859 20 0 GFADRO C[C@@H]1C[C@@H](C)N(S(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)C[C@H]1C[NH3+] ZINC000397250778 563531735 /nfs/dbraw/zinc/53/17/35/563531735.db2.gz GQRSOKHTQSCTBL-GMTAPVOTSA-N 1 0 382.860 2.935 20 0 GFADRO C[C@@H]1C[C@@H](C)N(CC(=O)N(C)Cc2ccccc2Br)C[C@H]1C[NH3+] ZINC000397318225 563531932 /nfs/dbraw/zinc/53/19/32/563531932.db2.gz MFEWTNODSWPCJJ-IIAWOOMASA-N 1 0 382.346 2.713 20 0 GFADRO CN(C[C@H]1CCCN(Cc2ccc(Br)cc2)C1)S(C)(=O)=O ZINC000285696968 563532684 /nfs/dbraw/zinc/53/26/84/563532684.db2.gz SBTHVPYHJWSMKX-CQSZACIVSA-N 1 0 375.332 2.553 20 0 GFADRO C[C@@H]1CSc2ccc(Br)cc2[C@H]1NC(=O)C[C@@H]1C[NH2+]CCO1 ZINC000430112450 563533162 /nfs/dbraw/zinc/53/31/62/563533162.db2.gz XRNORGDMXVNKEN-SIVJFFJCSA-N 1 0 385.327 2.727 20 0 GFADRO CC(=O)c1cc(Br)ccc1OCC(=O)N[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000285714261 563533217 /nfs/dbraw/zinc/53/32/17/563533217.db2.gz PSIAFFUZYFYPCL-BZNIZROVSA-N 1 0 395.297 2.629 20 0 GFADRO CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](CO)Cc1cccc(Br)c1 ZINC000430138996 563535342 /nfs/dbraw/zinc/53/53/42/563535342.db2.gz ZZADQEXEJNPATA-NVXWUHKLSA-N 1 0 383.330 2.591 20 0 GFADRO O=C(CC[NH+]1CCC(O)(C(F)F)CC1)Nc1ccc(Br)cc1 ZINC000331123050 563535716 /nfs/dbraw/zinc/53/57/16/563535716.db2.gz BUWJIEIIENPGRS-UHFFFAOYSA-N 1 0 377.229 2.870 20 0 GFADRO CCC(C)(C)[NH2+][C@@H](C)C(=O)NC[C@@H](CO)Cc1ccc(Br)cc1 ZINC000430159065 563537233 /nfs/dbraw/zinc/53/72/33/563537233.db2.gz CLQXCTJFNQVJCJ-ZFWWWQNUSA-N 1 0 385.346 2.883 20 0 GFADRO CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](CO)Cc1ccc(Br)cc1 ZINC000430160949 563537435 /nfs/dbraw/zinc/53/74/35/563537435.db2.gz CPSPFKDIHARMIJ-DOTOQJQBSA-N 1 0 383.330 2.591 20 0 GFADRO C[C@H]([NH2+]CCn1cc(Br)cn1)c1cccc(N2CCOCC2)c1 ZINC000285797954 563537496 /nfs/dbraw/zinc/53/74/96/563537496.db2.gz VUAOCXSYYXGYAL-AWEZNQCLSA-N 1 0 379.302 2.833 20 0 GFADRO Cc1ccc(S(=O)(=O)N2CCCC[C@H]2C[NH+](C)C)c(Br)c1 ZINC000405187183 563537995 /nfs/dbraw/zinc/53/79/95/563537995.db2.gz LWLONLLXTBZQHM-ZDUSSCGKSA-N 1 0 375.332 2.862 20 0 GFADRO NC(=O)[C@H](c1ccc(Br)cc1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000331180499 563538309 /nfs/dbraw/zinc/53/83/09/563538309.db2.gz QYXDZXDCLZOHDB-CJNGLKHVSA-N 1 0 382.302 2.680 20 0 GFADRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)c1cn2ccc(Br)cc2n1 ZINC000285832720 563539046 /nfs/dbraw/zinc/53/90/46/563539046.db2.gz ONNZTQGIFWRUEK-GFCCVEGCSA-N 1 0 379.302 2.899 20 0 GFADRO Cc1[nH]c(=O)c(Br)cc1C(=O)N(CC[NH+](C)C)Cc1ccco1 ZINC000285824782 563539100 /nfs/dbraw/zinc/53/91/00/563539100.db2.gz XKDUMAYGJPPUQH-UHFFFAOYSA-N 1 0 382.258 2.655 20 0 GFADRO C[C@H]1C[C@@H](N2CCOCC2)CN1C(=O)/C=C/c1ccc(Br)s1 ZINC000285827898 563539107 /nfs/dbraw/zinc/53/91/07/563539107.db2.gz OBUUEDIJLAIOCH-ZTGIWPAFSA-N 1 0 385.327 2.845 20 0 GFADRO [NH3+]CCCCc1cn(Cc2cc(Cl)ccc2I)nn1 ZINC000405851290 563539825 /nfs/dbraw/zinc/53/98/25/563539825.db2.gz JOFAGILDJHEFNM-UHFFFAOYSA-N 1 0 390.656 2.866 20 0 GFADRO CCOc1nc(C(F)(F)F)ccc1C(=O)N1C[C@@H]([NH+](C)C)[C@@H](SC)C1 ZINC000430268799 563540602 /nfs/dbraw/zinc/54/06/02/563540602.db2.gz ODBQOXCAFIBYGY-NEPJUHHUSA-N 1 0 377.432 2.617 20 0 GFADRO CN(C[C@H]1CC[N@H+](C)C1)C(=O)C(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000331257755 563542212 /nfs/dbraw/zinc/54/22/12/563542212.db2.gz DNMCPFMMFSKEJB-VIFPVBQESA-N 1 0 378.687 2.995 20 0 GFADRO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+][C@@H](C)c2cc(C(=O)OC)cs2)c1 ZINC000285933356 563542286 /nfs/dbraw/zinc/54/22/86/563542286.db2.gz FHUHVXFPELYKGD-NEPJUHHUSA-N 1 0 382.507 2.855 20 0 GFADRO CCOC1CC(C[NH2+]Cc2cscc2Br)(N2CCOCC2)C1 ZINC000285951403 563542953 /nfs/dbraw/zinc/54/29/53/563542953.db2.gz MSKILJIQGKMGHX-UHFFFAOYSA-N 1 0 389.359 2.870 20 0 GFADRO C[C@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000331284251 563543498 /nfs/dbraw/zinc/54/34/98/563543498.db2.gz KTHNVNYYRZAYGS-LMMLAZSQSA-N 1 0 390.293 2.809 20 0 GFADRO CC(=O)Nc1ccc(S(=O)(=O)N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)cc1Cl ZINC000331300559 563544235 /nfs/dbraw/zinc/54/42/35/563544235.db2.gz PJIGMSYERZKPBY-CHWSQXEVSA-N 1 0 387.933 2.697 20 0 GFADRO Cc1cc(C[NH2+][C@@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)sc1Br ZINC000408119784 563545548 /nfs/dbraw/zinc/54/55/48/563545548.db2.gz OVWPIXRLSUMROW-RISCZKNCSA-N 1 0 394.356 2.645 20 0 GFADRO CN(CC[NH+](C)C)C(=O)c1cnc2c(Cl)cc(Br)cc2c1O ZINC000430612862 563546852 /nfs/dbraw/zinc/54/68/52/563546852.db2.gz UJPPSTULCDULFF-UHFFFAOYSA-N 1 0 386.677 2.578 20 0 GFADRO CS(=O)(=O)CCOCC[NH2+][C@@H](c1cccc(OC(F)(F)F)c1)C1CC1 ZINC000286054473 563547228 /nfs/dbraw/zinc/54/72/28/563547228.db2.gz KHEKRHDVJOVAIR-OAHLLOKOSA-N 1 0 381.416 2.687 20 0 GFADRO O=S(=O)(c1ccc(Br)o1)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000408215538 563548138 /nfs/dbraw/zinc/54/81/38/563548138.db2.gz SRDFTBQLXVTVAN-YPMHNXCESA-N 1 0 389.315 2.680 20 0 GFADRO COc1cc(C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)cc(OC)c1Br ZINC000430718993 563548384 /nfs/dbraw/zinc/54/83/84/563548384.db2.gz IFZBDTPYUJKPJA-AWEZNQCLSA-N 1 0 385.302 2.974 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)cc1Br ZINC000331414268 563549248 /nfs/dbraw/zinc/54/92/48/563549248.db2.gz NYMJVNILSHNIIL-SFHVURJKSA-N 1 0 394.313 2.607 20 0 GFADRO COc1ccc([C@H](C[NH+](C)C)NC(=O)c2cccnc2Br)cc1 ZINC000286128368 563549603 /nfs/dbraw/zinc/54/96/03/563549603.db2.gz OUTJEOHGLRAUHY-HNNXBMFYSA-N 1 0 378.270 2.885 20 0 GFADRO COc1ccc([C@@H](C[NH+](C)C)NC(=O)c2cccnc2Br)cc1 ZINC000286128371 563549922 /nfs/dbraw/zinc/54/99/22/563549922.db2.gz OUTJEOHGLRAUHY-OAHLLOKOSA-N 1 0 378.270 2.885 20 0 GFADRO Cc1cc(S(=O)(=O)N2CCC3(CC[NH2+]C3)CC2)sc1Br ZINC000431040806 563552228 /nfs/dbraw/zinc/55/22/28/563552228.db2.gz YFIBEVHEQCUJDY-UHFFFAOYSA-N 1 0 379.345 2.583 20 0 GFADRO C[C@H]1C[C@@H](NC(=O)c2cc(=O)[nH]c3c(Br)cccc23)CC[N@@H+]1C ZINC000408368438 563552638 /nfs/dbraw/zinc/55/26/38/563552638.db2.gz ICEHYAOVTNZDOH-QWRGUYRKSA-N 1 0 378.270 2.915 20 0 GFADRO O[C@@H](COc1cccc(Br)c1)C[N@@H+]1CC[C@H](Oc2ccncc2)C1 ZINC000431159481 563554895 /nfs/dbraw/zinc/55/48/95/563554895.db2.gz OWVKFOQQHYIEBA-QAPCUYQASA-N 1 0 393.281 2.737 20 0 GFADRO COCC[NH+](CCOC)C1CCN(c2cc(C)c(Br)cn2)CC1 ZINC000286290502 563554908 /nfs/dbraw/zinc/55/49/08/563554908.db2.gz HMPINFLNXXKVHH-UHFFFAOYSA-N 1 0 386.334 2.716 20 0 GFADRO Cc1cc(C(=O)NC[C@@H]2CC[N@@H+](C)C2)nn1-c1ccc(Br)cc1 ZINC000431172748 563556088 /nfs/dbraw/zinc/55/60/88/563556088.db2.gz LRGGMQAALPSOPJ-ZDUSSCGKSA-N 1 0 377.286 2.625 20 0 GFADRO CC(C)(C[NH2+]CC1(C)COC1)S(=O)(=O)c1ccc(Br)cc1 ZINC000286345736 563557355 /nfs/dbraw/zinc/55/73/55/563557355.db2.gz FJHALYHZHYXJJG-UHFFFAOYSA-N 1 0 376.316 2.628 20 0 GFADRO CCOc1cccc(S(=O)(=O)NCC2([NH+]3CCSCC3)CCCC2)c1 ZINC000409567601 563565427 /nfs/dbraw/zinc/56/54/27/563565427.db2.gz QLBXOPRIIPDDPH-UHFFFAOYSA-N 1 0 384.567 2.725 20 0 GFADRO Cc1c([C@H]2OCC[C@@H]2[NH2+]Cc2cc3c(cc2Br)OCO3)cnn1C ZINC000431678226 563565862 /nfs/dbraw/zinc/56/58/62/563565862.db2.gz ZJRJXWVJTWUMJC-WMLDXEAASA-N 1 0 394.269 2.840 20 0 GFADRO O=C([C@@H]1C[C@]12CCc1cc(Br)ccc12)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000409594729 563566227 /nfs/dbraw/zinc/56/62/27/563566227.db2.gz NJRQQNCWUYJMEB-IEZWGBDMSA-N 1 0 375.310 2.960 20 0 GFADRO O=C(NCCn1cc(Br)cn1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000286588348 563566471 /nfs/dbraw/zinc/56/64/71/563566471.db2.gz WWSVNBFNQCDGCU-UHFFFAOYSA-N 1 0 377.286 2.671 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)NC[C@@H](C)C[NH+]2CCCC2)c(Br)c1 ZINC000431979861 563572698 /nfs/dbraw/zinc/57/26/98/563572698.db2.gz GIJIEQGHBZJTGI-CYBMUJFWSA-N 1 0 396.329 2.853 20 0 GFADRO Cc1cc(C)c(NC(=O)NCC2CC[NH+](CCO)CC2)c(Br)c1 ZINC000431983828 563572823 /nfs/dbraw/zinc/57/28/23/563572823.db2.gz XGLSBMAVLIAMED-UHFFFAOYSA-N 1 0 384.318 2.892 20 0 GFADRO CCc1nc(C(=O)N2CC[C@@H]([NH+](C)C)C2)nn1-c1c(Cl)cccc1Cl ZINC000332093539 563575434 /nfs/dbraw/zinc/57/54/34/563575434.db2.gz CSZAWUKIWGDSNY-LLVKDONJSA-N 1 0 382.295 2.913 20 0 GFADRO O=S(=O)(c1cccnc1C(F)(F)F)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000286833348 563577002 /nfs/dbraw/zinc/57/70/02/563577002.db2.gz JTXTUXJOSJZWOP-CYBMUJFWSA-N 1 0 377.432 2.739 20 0 GFADRO O=S(=O)(c1cccs1)N1CCC[C@@H]([NH2+][C@H]2CCO[C@H](C(F)(F)F)C2)C1 ZINC000286864995 563578290 /nfs/dbraw/zinc/57/82/90/563578290.db2.gz BKBMWXAOVFAFDE-XQQFMLRXSA-N 1 0 398.472 2.601 20 0 GFADRO O=C(Nc1cc(F)ccc1Br)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000332175451 563581371 /nfs/dbraw/zinc/58/13/71/563581371.db2.gz MKUGQWHRGXQSQU-CYBMUJFWSA-N 1 0 398.276 2.614 20 0 GFADRO Cc1cc(Br)cn2c(CNCCC[N@@H+]3CCCO[C@H](C)C3)cnc12 ZINC000432356113 563582251 /nfs/dbraw/zinc/58/22/51/563582251.db2.gz CCAGLCSXONGMRV-OAHLLOKOSA-N 1 0 395.345 2.996 20 0 GFADRO COc1ccc(Br)cc1C(=O)CCC(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000432533446 563586873 /nfs/dbraw/zinc/58/68/73/563586873.db2.gz CLQFYPPMLDMOQW-RISCZKNCSA-N 1 0 383.286 2.535 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)Nc3ccc(I)cc3)C[C@H]21 ZINC000332246951 563587159 /nfs/dbraw/zinc/58/71/59/563587159.db2.gz SUIJBMILNQAPRP-LERXQTSPSA-N 1 0 385.249 2.882 20 0 GFADRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)NC1CCN(Cc2ccc(Br)cc2)CC1 ZINC000332264048 563589018 /nfs/dbraw/zinc/58/90/18/563589018.db2.gz FJMHWJPBTZAHQY-GUYCJALGSA-N 1 0 395.345 2.545 20 0 GFADRO C[C@@H](N[C@H](C)C(F)(F)F)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000287186257 563591236 /nfs/dbraw/zinc/59/12/36/563591236.db2.gz CXRRATCIIODGKT-CHWSQXEVSA-N 1 0 381.464 2.518 20 0 GFADRO C[C@H]([NH2+]CCCn1cc(Br)cn1)c1ccc(S(C)(=O)=O)cc1 ZINC000287274231 563594214 /nfs/dbraw/zinc/59/42/14/563594214.db2.gz QZGGRAWTCSUMJV-LBPRGKRZSA-N 1 0 386.315 2.790 20 0 GFADRO O=C(Nc1cc(Cl)c(Cl)cc1Cl)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000332342090 563594450 /nfs/dbraw/zinc/59/44/50/563594450.db2.gz SEMKCDFKYGUPTJ-RKDXNWHRSA-N 1 0 376.671 2.653 20 0 GFADRO COc1ccc(NC(=O)N2CC[NH+](C3CCOCC3)CC2)c(Br)c1 ZINC000332436011 563598909 /nfs/dbraw/zinc/59/89/09/563598909.db2.gz APOBFDGGDOEDLR-UHFFFAOYSA-N 1 0 398.301 2.786 20 0 GFADRO CN(C(=O)Nc1ccc(Cl)cc1I)C1CC([NH3+])C1 ZINC000332500636 563601612 /nfs/dbraw/zinc/60/16/12/563601612.db2.gz WIDSEMXVCSDELJ-UHFFFAOYSA-N 1 0 379.629 2.898 20 0 GFADRO [NH3+][C@H]1CCC[C@H](NC(=O)N2CCN(c3cccc(Br)c3)CC2)C1 ZINC000332553395 563604304 /nfs/dbraw/zinc/60/43/04/563604304.db2.gz QTPZIRNXAMCUHN-GJZGRUSLSA-N 1 0 381.318 2.551 20 0 GFADRO CC(C)[C@@H](C[NH3+])C(=O)N[C@@H](C)c1nc(-c2ccc(Br)cc2)no1 ZINC000433151089 563604705 /nfs/dbraw/zinc/60/47/05/563604705.db2.gz HJISWBTVJPRNPX-GXFFZTMASA-N 1 0 381.274 2.907 20 0 GFADRO C[C@H](C(=O)NC[C@@H]1CCCO1)[N@@H+]1CC[C@H](Cc2ccc(Br)cc2)C1 ZINC000433292745 563608142 /nfs/dbraw/zinc/60/81/42/563608142.db2.gz ACXHZOVMAOSHPU-KYJSFNMBSA-N 1 0 395.341 2.997 20 0 GFADRO COC[C@H]([NH2+]CCc1ccc(S(N)(=O)=O)cc1)c1cccc(Cl)c1F ZINC000287590710 563609383 /nfs/dbraw/zinc/60/93/83/563609383.db2.gz IBLNJZOAVVOBOX-INIZCTEOSA-N 1 0 386.876 2.646 20 0 GFADRO COC(=O)c1cc(CN2CC[NH+](CCCOCC(F)(F)F)CC2)cs1 ZINC000411186020 563609597 /nfs/dbraw/zinc/60/95/97/563609597.db2.gz OYOBOGBESNOOLI-UHFFFAOYSA-N 1 0 380.432 2.621 20 0 GFADRO CC[NH+](CC)CCS(=O)(=O)N[C@@H]1CCOc2c(Br)cccc21 ZINC000332663920 563611078 /nfs/dbraw/zinc/61/10/78/563611078.db2.gz DXMSVIYOWAJYLB-CQSZACIVSA-N 1 0 391.331 2.534 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCOc2c(Br)cccc21)C(=O)NC(=O)NC(C)(C)C ZINC000332709924 563612314 /nfs/dbraw/zinc/61/23/14/563612314.db2.gz YNFIJNOCBMKERF-GXFFZTMASA-N 1 0 398.301 2.875 20 0 GFADRO COc1nc(N2CC[NH+]([C@@H]3C[C@@H]3c3ccccc3)CC2)ncc1Br ZINC000411310912 563614784 /nfs/dbraw/zinc/61/47/84/563614784.db2.gz PVEAMWWYKCCUGP-GDBMZVCRSA-N 1 0 389.297 2.926 20 0 GFADRO Cc1cc(Br)c(NC(=O)C(=O)NCC[NH2+]C(C)(C)C)cc1Cl ZINC000411402265 563618217 /nfs/dbraw/zinc/61/82/17/563618217.db2.gz ZKWXLVDRDPYKFQ-UHFFFAOYSA-N 1 0 390.709 2.854 20 0 GFADRO O=C1Nc2cc(Cl)ccc2[C@@H]1C1CC[NH+](C[C@H]2CCS(=O)(=O)C2)CC1 ZINC000333031747 563618198 /nfs/dbraw/zinc/61/81/98/563618198.db2.gz MJBXETKJNLUMTB-PXAZEXFGSA-N 1 0 382.913 2.522 20 0 GFADRO Cc1cc([C@H](C)[NH2+]CCC(=O)Nc2cccc(S(N)(=O)=O)c2)c(C)s1 ZINC000411445768 563619699 /nfs/dbraw/zinc/61/96/99/563619699.db2.gz NHDZWUWFCDBSRO-LBPRGKRZSA-N 1 0 381.523 2.692 20 0 GFADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2ncsc2Br)[C@@H](C)C1 ZINC000287847758 563619858 /nfs/dbraw/zinc/61/98/58/563619858.db2.gz CBVFPSXPYYCNKY-RYUDHWBXSA-N 1 0 390.347 2.772 20 0 GFADRO CC(C)C[NH+]1CCN(C(=O)Cc2ccccc2I)CC1 ZINC000433834275 563620740 /nfs/dbraw/zinc/62/07/40/563620740.db2.gz RLDYBXIKAJRSCT-UHFFFAOYSA-N 1 0 386.277 2.634 20 0 GFADRO Cc1cc(Br)ccc1CN(C)C(=O)N[C@H](C)CN1CC[NH+](C)CC1 ZINC000433897980 563622986 /nfs/dbraw/zinc/62/29/86/563622986.db2.gz QOYPKCPYTZZSCP-OAHLLOKOSA-N 1 0 397.361 2.535 20 0 GFADRO CC[NH+]1CCN(CCCNC(=O)CCc2ccc(Br)c(C)c2)CC1 ZINC000433956337 563624135 /nfs/dbraw/zinc/62/41/35/563624135.db2.gz VDJFJUNMOUJIDZ-UHFFFAOYSA-N 1 0 396.373 2.834 20 0 GFADRO CCn1cc([C@@H]2NC(=O)CC[C@H]2[NH2+]Cc2ccc(Br)cc2F)cn1 ZINC000433990762 563624908 /nfs/dbraw/zinc/62/49/08/563624908.db2.gz ROULVMUCUBIEET-WBVHZDCISA-N 1 0 395.276 2.914 20 0 GFADRO COc1cc(Br)ccc1C(=O)N1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000333264785 563626053 /nfs/dbraw/zinc/62/60/53/563626053.db2.gz JIORPJPXXOUTFF-ZBFHGGJFSA-N 1 0 397.313 2.816 20 0 GFADRO CN(C)c1cc(NC(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)ncc1Br ZINC000333278853 563626644 /nfs/dbraw/zinc/62/66/44/563626644.db2.gz HFMLWBGGFXAEBT-CYBMUJFWSA-N 1 0 396.333 2.764 20 0 GFADRO CC[NH+]1CCN(c2ccc(CNC(=O)c3occc3Br)cn2)CC1 ZINC000434233086 563628082 /nfs/dbraw/zinc/62/80/82/563628082.db2.gz KDARNPHICLGCLQ-UHFFFAOYSA-N 1 0 393.285 2.509 20 0 GFADRO [NH3+][C@H]1CCO[C@H](C2CCN(C(=O)c3cc(Br)ccc3O)CC2)C1 ZINC000333336283 563628771 /nfs/dbraw/zinc/62/87/71/563628771.db2.gz XDQJFSLUNVLQMX-BBRMVZONSA-N 1 0 383.286 2.513 20 0 GFADRO O=C(c1ccc(Br)c(F)c1)N1CCC(n2ncc3c2C[NH2+]C3)CC1 ZINC000333561888 563635929 /nfs/dbraw/zinc/63/59/29/563635929.db2.gz LBYHJRBRQDQYDA-UHFFFAOYSA-N 1 0 393.260 2.865 20 0 GFADRO O=C(NC1CC1)[C@@H](O)C1CC[NH+](CCOc2cc(Cl)cc(Cl)c2)CC1 ZINC000434724316 563636393 /nfs/dbraw/zinc/63/63/93/563636393.db2.gz DILHRBVTZZYLOI-KRWDZBQOSA-N 1 0 387.307 2.724 20 0 GFADRO O=C(NCC[N@@H+]1CCCOCC1)NC1(c2ccc(Br)cc2)CCC1 ZINC000333712040 563640047 /nfs/dbraw/zinc/64/00/47/563640047.db2.gz MJAPZNRFLSGIDA-UHFFFAOYSA-N 1 0 396.329 2.850 20 0 GFADRO [NH3+][C@@H]1CCCO[C@H]1C1CCN(C(=O)c2ccc(F)cc2Br)CC1 ZINC000333764596 563641311 /nfs/dbraw/zinc/64/13/11/563641311.db2.gz AZERXXAPVWUAHL-CVEARBPZSA-N 1 0 385.277 2.947 20 0 GFADRO C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl)[N@@H+]1CC[C@@H](C(=O)N(C)C)C1 ZINC000411954364 563642767 /nfs/dbraw/zinc/64/27/67/563642767.db2.gz ZNAYOCXPNXUHQJ-YNEHKIRRSA-N 1 0 386.323 2.969 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)N[C@H]3COc4cc(F)c(Br)cc43)C[C@H]21 ZINC000333845674 563643670 /nfs/dbraw/zinc/64/36/70/563643670.db2.gz WDVPXINNKGWYCF-VGKMCQHDSA-N 1 0 398.276 2.791 20 0 GFADRO C[C@H](NC(=O)C[NH2+]C(C)(C)CN1CCOCC1)c1ccc(Cl)cc1Cl ZINC000412003890 563643826 /nfs/dbraw/zinc/64/38/26/563643826.db2.gz QTCWXPOPOWWCCM-ZDUSSCGKSA-N 1 0 388.339 2.871 20 0 GFADRO O=C(N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)N1CCOc2ccc(Br)cc2C1 ZINC000333869858 563643852 /nfs/dbraw/zinc/64/38/52/563643852.db2.gz BNNROTHCCVGPLO-XJKCOSOUSA-N 1 0 394.313 2.741 20 0 GFADRO O=C(c1nn(-c2ccc(F)cc2)cc1Br)N1CCC2(CC[NH2+]2)CC1 ZINC000333866090 563643908 /nfs/dbraw/zinc/64/39/08/563643908.db2.gz SZQWEPOALWACTM-UHFFFAOYSA-N 1 0 393.260 2.742 20 0 GFADRO OC[C@@H]([NH2+]Cc1ncc(-c2cccc(Br)c2)o1)[C@H]1CCCOC1 ZINC000411999671 563644169 /nfs/dbraw/zinc/64/41/69/563644169.db2.gz XVBHVMXFHCKQFN-DZGCQCFKSA-N 1 0 381.270 2.981 20 0 GFADRO O=C(C[NH2+][C@H](CO)[C@@H]1CCCOC1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000411997228 563644204 /nfs/dbraw/zinc/64/42/04/563644204.db2.gz UEDCUKKEHDLLKJ-QMTHXVAHSA-N 1 0 380.794 2.674 20 0 GFADRO O=C(Nc1ccc(Br)cc1)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000333936700 563645893 /nfs/dbraw/zinc/64/58/93/563645893.db2.gz KTJMOWPSPGLKBX-UHFFFAOYSA-N 1 0 381.318 2.787 20 0 GFADRO COc1ccc(C[N@H+](C)CCC(=O)NC(=O)NCC(F)(F)F)cc1Cl ZINC000412044513 563646125 /nfs/dbraw/zinc/64/61/25/563646125.db2.gz QQNWNXUGAPAQMB-UHFFFAOYSA-N 1 0 381.782 2.559 20 0 GFADRO O=C(N[C@H]1CCOc2ccc(Br)cc21)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000333948625 563646502 /nfs/dbraw/zinc/64/65/02/563646502.db2.gz WMDXTLFINCJCKR-WMLDXEAASA-N 1 0 380.286 2.668 20 0 GFADRO Cc1nc(C(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)nn1-c1c(Cl)cccc1Cl ZINC000435242986 563646968 /nfs/dbraw/zinc/64/69/68/563646968.db2.gz PSHDYQIYOZEDSE-GFCCVEGCSA-N 1 0 380.279 2.849 20 0 GFADRO O=C([C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000435244398 563647016 /nfs/dbraw/zinc/64/70/16/563647016.db2.gz DMWRBTYJKBHHTR-ZIAGYGMSSA-N 1 0 382.291 2.699 20 0 GFADRO COC(=O)[C@H]1CSCC[N@H+](C[C@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000412091657 563647443 /nfs/dbraw/zinc/64/74/43/563647443.db2.gz YXOISPPQAAGWSW-YPMHNXCESA-N 1 0 394.320 2.571 20 0 GFADRO O=C(c1ccc(I)c(F)c1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000288543607 563647479 /nfs/dbraw/zinc/64/74/79/563647479.db2.gz ALLPYGUSIYVJSW-HNNXBMFYSA-N 1 0 388.224 2.646 20 0 GFADRO OC[C@H]1C[N@H+](Cc2c(-c3ccc(Cl)cc3)nc3sccn23)CC[C@H]1O ZINC000412107879 563648819 /nfs/dbraw/zinc/64/88/19/563648819.db2.gz RRWCJXRPHIQDAW-CZUORRHYSA-N 1 0 377.897 2.891 20 0 GFADRO O=C(NCC[NH+]1CCCCCC1)[C@@H]1CC(=O)Nc2ccc(Br)cc21 ZINC000435573581 563653368 /nfs/dbraw/zinc/65/33/68/563653368.db2.gz IOTLHLFWHWQCIR-OAHLLOKOSA-N 1 0 394.313 2.867 20 0 GFADRO C[NH+](C)CCn1cc(NS(=O)(=O)c2ccc(Cl)cc2Cl)ccc1=O ZINC000288696573 563654085 /nfs/dbraw/zinc/65/40/85/563654085.db2.gz XUACSLDDNJGNET-UHFFFAOYSA-N 1 0 390.292 2.518 20 0 GFADRO C[C@@H](CNC(=O)c1nn(-c2cccc(Br)c2)c2c1CCC2)[NH+](C)C ZINC000412389250 563655722 /nfs/dbraw/zinc/65/57/22/563655722.db2.gz WDVXFJZEYSXBFF-LBPRGKRZSA-N 1 0 391.313 2.803 20 0 GFADRO COc1ccc(C[NH2+]CCN(C)S(=O)(=O)c2ccc(F)cc2)cc1Cl ZINC000435733845 563657466 /nfs/dbraw/zinc/65/74/66/563657466.db2.gz XBOYZYWBESCETH-UHFFFAOYSA-N 1 0 386.876 2.898 20 0 GFADRO C[NH+](C)C[C@@H]1CCCN1C(=O)c1cc(I)c(F)cc1F ZINC000435928623 563660882 /nfs/dbraw/zinc/66/08/82/563660882.db2.gz VYYOSSNQOKZVHB-VIFPVBQESA-N 1 0 394.203 2.736 20 0 GFADRO C[C@H]1OCC[C@H]1[N@H+](CCO)Cc1ccc(I)c(Cl)c1 ZINC000436100440 563664473 /nfs/dbraw/zinc/66/44/73/563664473.db2.gz GAIZTFNNCQHWIP-QMTHXVAHSA-N 1 0 395.668 2.916 20 0 GFADRO CC[C@@H](C(=O)NC1CCN(Cc2cccc(Br)c2)CC1)[NH+](C)C ZINC000412976188 563678273 /nfs/dbraw/zinc/67/82/73/563678273.db2.gz VRQXKQKFDLRDSJ-KRWDZBQOSA-N 1 0 382.346 2.870 20 0 GFADRO CNS(=O)(=O)c1cccc(C[NH2+][C@@H](C)c2ccc(Br)nc2)c1 ZINC000289646081 563682226 /nfs/dbraw/zinc/68/22/26/563682226.db2.gz HZZITAKIUWQOBS-NSHDSACASA-N 1 0 384.299 2.603 20 0 GFADRO COc1cc([C@@H](C)[NH2+]CCc2nnc(C)s2)ccc1S(=O)(=O)C(F)F ZINC000289771801 563686548 /nfs/dbraw/zinc/68/65/48/563686548.db2.gz MEKFVARMYYKSJT-SECBINFHSA-N 1 0 391.465 2.745 20 0 GFADRO Cc1ccc(Br)c(CNC(=O)NCC2([NH+](C)C)CCOCC2)c1 ZINC000413267949 563687281 /nfs/dbraw/zinc/68/72/81/563687281.db2.gz MAWLVHHUDPCBBA-UHFFFAOYSA-N 1 0 384.318 2.668 20 0 GFADRO Cc1cnc(NC(=O)[C@@H]2CSCN2C(=O)[C@H](C)[NH+]2[C@H](C)CC[C@H]2C)s1 ZINC000413335174 563689449 /nfs/dbraw/zinc/68/94/49/563689449.db2.gz IPGIVRQUZNADKN-RFHZTLPTSA-N 1 0 382.555 2.553 20 0 GFADRO COCCC[NH+]1CCC(NCc2cn3ccc(Br)cc3n2)CC1 ZINC000289860872 563689467 /nfs/dbraw/zinc/68/94/67/563689467.db2.gz LEXWNVQVRWMZFF-UHFFFAOYSA-N 1 0 381.318 2.687 20 0 GFADRO OCC1([NH2+]Cc2cc(Br)cc(Br)c2)CCOCC1 ZINC000289861354 563689540 /nfs/dbraw/zinc/68/95/40/563689540.db2.gz VXMAKOYAPKRPJG-UHFFFAOYSA-N 1 0 379.092 2.843 20 0 GFADRO CC[NH+](CC)CCN(CCC(F)(F)F)S(=O)(=O)c1ccccc1OC ZINC000437322035 563692962 /nfs/dbraw/zinc/69/29/62/563692962.db2.gz JQNNBLKARHRKNQ-UHFFFAOYSA-N 1 0 382.448 2.980 20 0 GFADRO Cc1cnn([C@@H]2CCN(CC(=O)Nc3ccc(Br)cc3F)C2)c1 ZINC000290011029 563694288 /nfs/dbraw/zinc/69/42/88/563694288.db2.gz UMHAJLFTODRDQY-CYBMUJFWSA-N 1 0 381.249 2.979 20 0 GFADRO COc1ccc([C@H]([NH2+]C[C@@H]2CN(C)CCN2C)C(C)C)c(Br)c1 ZINC000290019416 563695347 /nfs/dbraw/zinc/69/53/47/563695347.db2.gz ZWVNFPDSULOCDN-RDTXWAMCSA-N 1 0 384.362 2.990 20 0 GFADRO O=C(c1ccc(I)cc1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000290119595 563698718 /nfs/dbraw/zinc/69/87/18/563698718.db2.gz KZNZZINECANOOB-CQSZACIVSA-N 1 0 384.261 2.753 20 0 GFADRO CNC(=O)CN1CCCN(C(=O)N[C@H](C)c2cccc(Cl)c2Cl)CC1 ZINC000361476042 563700182 /nfs/dbraw/zinc/70/01/82/563700182.db2.gz ATLFTXIKVQNVDC-GFCCVEGCSA-N 1 0 387.311 2.518 20 0 GFADRO O=S(=O)(c1sccc1Br)N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000361476087 563700196 /nfs/dbraw/zinc/70/01/96/563700196.db2.gz ABUDBNNACJOCRP-DMDPSCGWSA-N 1 0 391.356 2.615 20 0 GFADRO CCSc1ccc(Cl)cc1C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000438066259 563701628 /nfs/dbraw/zinc/70/16/28/563701628.db2.gz ZYIHXZGWEMMTBF-ZDUSSCGKSA-N 1 0 383.945 2.769 20 0 GFADRO O=C(CC1CC[NH2+]CC1)N1CCC[C@@H]1C(=O)Nc1ccc(Br)cc1 ZINC000361969544 563702048 /nfs/dbraw/zinc/70/20/48/563702048.db2.gz YWFXQENCUKJGCK-MRXNPFEDSA-N 1 0 394.313 2.768 20 0 GFADRO C[C@H](CCc1cccn1C)[NH2+]C1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000362235794 563704202 /nfs/dbraw/zinc/70/42/02/563704202.db2.gz BYHXAZMSELJSRO-OAHLLOKOSA-N 1 0 381.567 2.851 20 0 GFADRO CS(=O)(=O)N[C@H]1CCC[C@@H]1C[NH2+]C1CCN(c2ccc(Cl)cc2)CC1 ZINC000362303120 563705207 /nfs/dbraw/zinc/70/52/07/563705207.db2.gz ITSPYCYMOGFEGB-KDOFPFPSSA-N 1 0 385.961 2.616 20 0 GFADRO O=C1[C@H]([NH2+][C@@H]2CCc3c2cc(Br)cc3F)CCN1C1CCOCC1 ZINC000362303220 563705678 /nfs/dbraw/zinc/70/56/78/563705678.db2.gz JSMURCCPRWCNBI-IAGOWNOFSA-N 1 0 397.288 2.945 20 0 GFADRO COc1ccsc1S(=O)(=O)N1C[C@H]2[C@H](C1)C[N@H+](C)[C@@H]2c1ccccc1 ZINC000362829899 563709587 /nfs/dbraw/zinc/70/95/87/563709587.db2.gz LHHDNFMMQOVMAL-YQQAZPJKSA-N 1 0 378.519 2.680 20 0 GFADRO O[C@@H](COc1cc(F)cc(Br)c1)C[N@@H+]1CCC[C@@H](n2cccn2)C1 ZINC000438834690 563712074 /nfs/dbraw/zinc/71/20/74/563712074.db2.gz ATWAESFCMXKHMO-HZPDHXFCSA-N 1 0 398.276 2.862 20 0 GFADRO O=C(Cc1ccc(F)c(Br)c1)N1CCC[N@@H+](C2CCOCC2)CC1 ZINC000363059915 563713230 /nfs/dbraw/zinc/71/32/30/563713230.db2.gz NBIQANHKSDQMNX-UHFFFAOYSA-N 1 0 399.304 2.844 20 0 GFADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1cc2c(cccc2Br)[nH]1 ZINC000363087505 563714080 /nfs/dbraw/zinc/71/40/80/563714080.db2.gz ATHIDFIQEQIBEM-NWDGAFQWSA-N 1 0 378.270 2.523 20 0 GFADRO C[C@H]1C[C@@H](N(C)Cc2cn(-c3ccccc3Br)nn2)CC[N@@H+]1C ZINC000290555647 563714218 /nfs/dbraw/zinc/71/42/18/563714218.db2.gz XBYLPTXNWATYRX-ZFWWWQNUSA-N 1 0 378.318 2.944 20 0 GFADRO O=C(NC[C@]1(N2CCOCC2)CCSC1)[C@H]1C[C@@H]1c1cccc(Cl)c1 ZINC000363136963 563714780 /nfs/dbraw/zinc/71/47/80/563714780.db2.gz QFIOLMNKAPRGGI-ZIFCJYIRSA-N 1 0 380.941 2.768 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)[C@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC000363129707 563714863 /nfs/dbraw/zinc/71/48/63/563714863.db2.gz KMALMASSAADCNJ-ZFWWWQNUSA-N 1 0 394.313 2.687 20 0 GFADRO C[C@H](Cn1cc(Br)ccc1=O)N[C@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000414069989 563718054 /nfs/dbraw/zinc/71/80/54/563718054.db2.gz KTTVRILAIOVQPD-QKPAOTATSA-N 1 0 384.362 2.955 20 0 GFADRO C[C@H]([NH2+]C[C@H](O)COc1ccc(I)cc1)[C@H]1C[C@H]1C ZINC000414077320 563718134 /nfs/dbraw/zinc/71/81/34/563718134.db2.gz PUANDIODLWHWOA-MPXAEWJHSA-N 1 0 375.250 2.665 20 0 GFADRO COc1ccc(C[C@@H](C)[NH2+]C[C@H](O)COc2ccccc2Br)cn1 ZINC000414089872 563718649 /nfs/dbraw/zinc/71/86/49/563718649.db2.gz KGVDWRKOUQSHIQ-HIFRSBDPSA-N 1 0 395.297 2.813 20 0 GFADRO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]C1CCN(CC(F)(F)F)CC1 ZINC000414086999 563718786 /nfs/dbraw/zinc/71/87/86/563718786.db2.gz ZUSRIMDZKHKOKS-NSHDSACASA-N 1 0 396.251 2.616 20 0 GFADRO Cc1ccc(C[C@@H](CO)[NH2+][C@@H](C)Cn2cc(Br)ccc2=O)cc1C ZINC000414152019 563720888 /nfs/dbraw/zinc/72/08/88/563720888.db2.gz QHCQGPJVFRDKRY-YJBOKZPZSA-N 1 0 393.325 2.809 20 0 GFADRO C[C@H]1C[N@@H+](C2CCN(C(=O)COc3cccc(Br)c3)CC2)CCO1 ZINC000363433837 563722971 /nfs/dbraw/zinc/72/29/71/563722971.db2.gz MIZKYVAYDFMTOK-AWEZNQCLSA-N 1 0 397.313 2.540 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N2CC[N@@H+](C)CC[C@H]2C)cc1Br ZINC000439356652 563723079 /nfs/dbraw/zinc/72/30/79/563723079.db2.gz WSUCCWREISQWAY-CYBMUJFWSA-N 1 0 382.302 2.557 20 0 GFADRO CCCNC(=O)NC(=O)C[NH+]1CCC(c2cccc(Br)c2)CC1 ZINC000439327359 563723181 /nfs/dbraw/zinc/72/31/81/563723181.db2.gz LAKWVHIAMDIAHF-UHFFFAOYSA-N 1 0 382.302 2.864 20 0 GFADRO CC(C)(C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccc(Br)cc1 ZINC000363487188 563723558 /nfs/dbraw/zinc/72/35/58/563723558.db2.gz JQYQRYBZHYTLCI-CVEARBPZSA-N 1 0 381.314 2.706 20 0 GFADRO CC(C)(C)[NH2+]CCNC(=O)[C@@H]1CCCN1C(=O)c1ccc(Br)cc1 ZINC000363482973 563723592 /nfs/dbraw/zinc/72/35/92/563723592.db2.gz CQOBFPQMGBGNHO-HNNXBMFYSA-N 1 0 396.329 2.558 20 0 GFADRO [NH3+][C@H]1CCC[C@@H](NC(=O)Nc2cccc(F)c2I)C1 ZINC000415366834 563771392 /nfs/dbraw/zinc/77/13/92/563771392.db2.gz XAEFTZFIQDSEGC-DTWKUNHWSA-N 1 0 377.201 2.822 20 0 GFADRO C[C@H]([NH2+]C[C@H](O)COc1cc(F)cc(Br)c1)C1CCOCC1 ZINC000439433024 563724794 /nfs/dbraw/zinc/72/47/94/563724794.db2.gz XVOADHQGRCGVKF-NHYWBVRUSA-N 1 0 376.266 2.733 20 0 GFADRO CCOC[C@H]1CC[N@H+](C[C@@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000439435960 563724823 /nfs/dbraw/zinc/72/48/23/563724823.db2.gz FKLUPDZFYJTIHY-SWLSCSKDSA-N 1 0 376.266 2.686 20 0 GFADRO COC1([C@H](C)[NH2+][C@@H](C)c2ccc(Br)c(S(N)(=O)=O)c2)CCC1 ZINC000414297808 563725260 /nfs/dbraw/zinc/72/52/60/563725260.db2.gz GRIYDVAGIMCJSR-QWRGUYRKSA-N 1 0 391.331 2.705 20 0 GFADRO C[N@H+](C[C@H](O)COc1cc(F)cc(Br)c1)[C@@H]1CCCC[C@H]1O ZINC000439449800 563725897 /nfs/dbraw/zinc/72/58/97/563725897.db2.gz VTUJRPINMMPGOD-NUEKZKHPSA-N 1 0 376.266 2.563 20 0 GFADRO NC(=O)[C@H](c1ccc(Br)cc1F)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000363562609 563726159 /nfs/dbraw/zinc/72/61/59/563726159.db2.gz NCXZHBZDNKBLPH-CJNGLKHVSA-N 1 0 384.293 2.675 20 0 GFADRO OCCCC1CC[NH+](C[C@@H](O)COc2cc(F)cc(Br)c2)CC1 ZINC000439458631 563726768 /nfs/dbraw/zinc/72/67/68/563726768.db2.gz TVZGMWOLDBLVQK-MRXNPFEDSA-N 1 0 390.293 2.812 20 0 GFADRO C[C@@H](Cc1cccc(O)c1)[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000414332516 563726907 /nfs/dbraw/zinc/72/69/07/563726907.db2.gz SALZJUAEDSWCJG-NSHDSACASA-N 1 0 399.310 2.523 20 0 GFADRO CC(C)[N@H+](C)C[C@@H](C)NC(=O)c1c(F)cccc1I ZINC000290944585 563727188 /nfs/dbraw/zinc/72/71/88/563727188.db2.gz OZBKPYIYQCVILM-SNVBAGLBSA-N 1 0 378.229 2.889 20 0 GFADRO CCS(=O)(=O)CCC[NH2+][C@@H](C)CC(=O)Nc1cccc(Br)c1 ZINC000414343668 563728408 /nfs/dbraw/zinc/72/84/08/563728408.db2.gz QREGUIQPBWJDPF-LBPRGKRZSA-N 1 0 391.331 2.581 20 0 GFADRO COCCC[N@@H+]1CCCN(C(=O)c2cc3sc(N(C)C)nc3s2)CC1 ZINC000363635434 563728580 /nfs/dbraw/zinc/72/85/80/563728580.db2.gz WOEFSEQAZSATPT-UHFFFAOYSA-N 1 0 382.555 2.608 20 0 GFADRO O=C(C[N@@H+]1CCS[C@@H]2CCCC[C@H]21)N1CCN(Cc2cccs2)CC1 ZINC000439616623 563730007 /nfs/dbraw/zinc/73/00/07/563730007.db2.gz SKPWFSFXLKAZQN-QZTJIDSGSA-N 1 0 379.595 2.752 20 0 GFADRO C[C@@H](CNC(=O)C(=O)Nc1cc(Cl)c(Cl)cc1F)C[NH+]1CCCC1 ZINC000439743550 563731089 /nfs/dbraw/zinc/73/10/89/563731089.db2.gz JJEFRWQVKNFDBT-JTQLQIEISA-N 1 0 376.259 2.919 20 0 GFADRO O=C(c1cc(Br)c2c(c1)OCCO2)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000363687558 563731142 /nfs/dbraw/zinc/73/11/42/563731142.db2.gz ASZSBCWEMDHDTE-ZDUSSCGKSA-N 1 0 381.270 2.531 20 0 GFADRO C[C@H](C[S@](C)=O)[NH2+][C@@H]1CCCOc2ccc(I)cc21 ZINC000363808934 563733809 /nfs/dbraw/zinc/73/38/09/563733809.db2.gz APRGCRAHQDCCQE-FTNGCUSPSA-N 1 0 393.290 2.862 20 0 GFADRO C[C@H](c1ccc(Cl)cc1)N(C)C(=O)CN1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000363917821 563737119 /nfs/dbraw/zinc/73/71/19/563737119.db2.gz AXYAJOYXLMZWCI-CRAIPNDOSA-N 1 0 381.973 2.983 20 0 GFADRO CC(C)[NH+]1CCN([C@H]2CCN(C(=O)c3c(F)cccc3Br)C2)CC1 ZINC000363936967 563737476 /nfs/dbraw/zinc/73/74/76/563737476.db2.gz MQYXCKYLWWMQOM-AWEZNQCLSA-N 1 0 398.320 2.829 20 0 GFADRO C[NH2+]C[C@H]1CCCN(S(=O)(=O)c2cc(Br)sc2Cl)C1 ZINC000440336465 563739043 /nfs/dbraw/zinc/73/90/43/563739043.db2.gz HPRXGZLSYIIODJ-MRVPVSSYSA-N 1 0 387.752 2.784 20 0 GFADRO COCC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1c(Cl)ccc2ccccc21 ZINC000440383583 563739702 /nfs/dbraw/zinc/73/97/02/563739702.db2.gz PNDRVCVVWVGBTK-OAHLLOKOSA-N 1 0 382.913 2.882 20 0 GFADRO Cc1cccc(S(=O)(=O)N2CC[C@@H](OCC[NH+]3CCCCC3)C2)c1Cl ZINC000414464985 563741461 /nfs/dbraw/zinc/74/14/61/563741461.db2.gz QMEUSEGIMHORHO-MRXNPFEDSA-N 1 0 386.945 2.914 20 0 GFADRO CN1CC[NH+](CCC2CCN(C(=O)c3ccccc3Br)CC2)CC1 ZINC000364060158 563741812 /nfs/dbraw/zinc/74/18/12/563741812.db2.gz VPURAZJUULJVRQ-UHFFFAOYSA-N 1 0 394.357 2.939 20 0 GFADRO CN(C)C(=O)[C@H]1CC[N@H+](Cc2cc(Br)c3c(c2)OCCCO3)C1 ZINC000414502847 563745304 /nfs/dbraw/zinc/74/53/04/563745304.db2.gz VGGYTHYMGCHFNV-ZDUSSCGKSA-N 1 0 383.286 2.521 20 0 GFADRO O=C(Nc1nnc(-c2cccc(Br)c2)s1)[C@H]1C[C@]12CC[NH2+]C2 ZINC000364214813 563746128 /nfs/dbraw/zinc/74/61/28/563746128.db2.gz MFAJEYSEYFSXEJ-ABAIWWIYSA-N 1 0 379.283 2.906 20 0 GFADRO CC(C)[N@@H+](Cc1cc(Br)c2c(c1)OCCO2)C[C@H]1CCC(=O)N1 ZINC000414565516 563747165 /nfs/dbraw/zinc/74/71/65/563747165.db2.gz YSESCYUFVYHCAN-CYBMUJFWSA-N 1 0 383.286 2.709 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+][C@H]1CCC[C@@H](CO)C1 ZINC000414571141 563747188 /nfs/dbraw/zinc/74/71/88/563747188.db2.gz KBKCYELFHWYUCS-ZENOOKHLSA-N 1 0 399.329 2.603 20 0 GFADRO CCC[NH+](CCC)CCCNC(=O)C(=O)Nc1cc(C)cnc1Br ZINC000291563746 563748104 /nfs/dbraw/zinc/74/81/04/563748104.db2.gz VRYCDGKPXXADCM-UHFFFAOYSA-N 1 0 399.333 2.719 20 0 GFADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCCN2C(=O)c2ccc(Cl)s2)C1 ZINC000364298966 563748929 /nfs/dbraw/zinc/74/89/29/563748929.db2.gz XZOFVRZFQPXEKZ-KBPBESRZSA-N 1 0 383.945 2.806 20 0 GFADRO C[C@H]1CN(S(=O)(=O)c2ccc3cc(Br)ccc3c2)CC[C@H]1[NH3+] ZINC000440746609 563749400 /nfs/dbraw/zinc/74/94/00/563749400.db2.gz JTYSJVUJTJSJPF-MEDUHNTESA-N 1 0 383.311 2.960 20 0 GFADRO O=C([C@H]1CC[N@@H+](Cc2cn3ccc(Br)cc3n2)C1)N1CCCC1 ZINC000291611436 563750058 /nfs/dbraw/zinc/75/00/58/563750058.db2.gz RAGUOCNWXQZKKM-ZDUSSCGKSA-N 1 0 377.286 2.541 20 0 GFADRO CC[NH2+]Cc1cccc(NC(=O)C(=O)NCc2csc(Br)c2)c1 ZINC000414705323 563750717 /nfs/dbraw/zinc/75/07/17/563750717.db2.gz WWYKXVYXZKXOHU-UHFFFAOYSA-N 1 0 396.310 2.875 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)Nc1nnc(SCc2ccccc2)s1 ZINC000414698294 563750934 /nfs/dbraw/zinc/75/09/34/563750934.db2.gz CWCNZCNKACIMHN-TZMCWYRMSA-N 1 0 377.539 3.564 20 0 GFADRO O=C(NCCC1=CC[NH2+]CC1)Nc1nnc(SCc2ccccc2)s1 ZINC000414705482 563750986 /nfs/dbraw/zinc/75/09/86/563750986.db2.gz KISHJEKECLAQSU-UHFFFAOYSA-N 1 0 375.523 3.262 20 0 GFADRO CN(Cc1cc(Br)cs1)C(=O)C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000414740723 563751481 /nfs/dbraw/zinc/75/14/81/563751481.db2.gz RLGRJIVMRLDRNN-UHFFFAOYSA-N 1 0 394.294 2.711 20 0 GFADRO C[C@@]1(CNS(=O)(=O)c2cccc(Cl)c2Br)CCC[NH2+]C1 ZINC000440838119 563751508 /nfs/dbraw/zinc/75/15/08/563751508.db2.gz NEBDNOHCCSBHSN-CYBMUJFWSA-N 1 0 381.723 2.771 20 0 GFADRO O=C(Nc1ncc(Cc2ccc(Br)cc2)s1)N[C@@H]1CC[NH2+]C1 ZINC000414743914 563751748 /nfs/dbraw/zinc/75/17/48/563751748.db2.gz VQMWHZOHWJYLAJ-GFCCVEGCSA-N 1 0 381.299 2.980 20 0 GFADRO [NH3+][C@H]1CCC[C@@H](NS(=O)(=O)c2cc(Cl)c(Br)cc2F)C1 ZINC000440857155 563752429 /nfs/dbraw/zinc/75/24/29/563752429.db2.gz IIGILPVWSNEGAG-JGVFFNPUSA-N 1 0 385.686 2.790 20 0 GFADRO C[NH2+]CCC1CCN(S(=O)(=O)c2ccc(OCC(F)(F)F)cc2)CC1 ZINC000440863693 563752482 /nfs/dbraw/zinc/75/24/82/563752482.db2.gz LPOAOEISCVPDAM-UHFFFAOYSA-N 1 0 380.432 2.638 20 0 GFADRO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NS(=O)(=O)c2cccc(Cl)c2)cc1 ZINC000440865301 563753286 /nfs/dbraw/zinc/75/32/86/563753286.db2.gz ORQHMDGYLRQPNZ-ROUUACIJSA-N 1 0 380.897 2.773 20 0 GFADRO CC[N@H+](CCCC(=O)Nc1c(C)cc(Br)cc1C)[C@H]1CCNC1=O ZINC000440953834 563753660 /nfs/dbraw/zinc/75/36/60/563753660.db2.gz HTYGRTWBORXEMQ-HNNXBMFYSA-N 1 0 396.329 2.995 20 0 GFADRO Cc1cc(Br)ccc1C(=O)N1CCC([NH2+][C@@H]2CCCNC2)CC1 ZINC000414862774 563753722 /nfs/dbraw/zinc/75/37/22/563753722.db2.gz HWKKYQDDYKDQBN-MRXNPFEDSA-N 1 0 380.330 2.704 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000414912075 563754208 /nfs/dbraw/zinc/75/42/08/563754208.db2.gz UUPZUOZYGHSHSB-CQSZACIVSA-N 1 0 397.317 2.609 20 0 GFADRO Cc1cc(Br)ccc1C(=O)N1CCC([NH2+][C@H]2CNCC[C@@H]2C)CC1 ZINC000414928636 563754254 /nfs/dbraw/zinc/75/42/54/563754254.db2.gz NALRRBWBVTZVTL-UGSOOPFHSA-N 1 0 394.357 2.950 20 0 GFADRO C[C@H]1C[C@H](NC(=O)Nc2cc(Br)ccc2N2CCOCC2)CC[NH2+]1 ZINC000414937279 563754368 /nfs/dbraw/zinc/75/43/68/563754368.db2.gz XAXAVBVYALUFRK-GXTWGEPZSA-N 1 0 397.317 2.548 20 0 GFADRO Cc1cc(Br)cc(NC2CC[NH+](CCN3CCOCC3)CC2)c1 ZINC000364511554 563755029 /nfs/dbraw/zinc/75/50/29/563755029.db2.gz QQKDLNCIHPXQNL-UHFFFAOYSA-N 1 0 382.346 2.966 20 0 GFADRO O=C(NC[C@H]1C[NH2+]CCO1)Nc1ccc(Br)cc1C(F)(F)F ZINC000414970987 563755451 /nfs/dbraw/zinc/75/54/51/563755451.db2.gz IEGHVOXSUKADLN-SECBINFHSA-N 1 0 382.180 2.578 20 0 GFADRO COC[C@@]1(CNC(=O)Nc2c(C)cc(Br)cc2OC)CCC[NH2+]1 ZINC000414987619 563756051 /nfs/dbraw/zinc/75/60/51/563756051.db2.gz KQNKEDRSJIOLLV-INIZCTEOSA-N 1 0 386.290 2.656 20 0 GFADRO CC(C)CSCCNC(=O)C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000415003167 563756787 /nfs/dbraw/zinc/75/67/87/563756787.db2.gz OKTAAPMRNOQZHI-UHFFFAOYSA-N 1 0 377.432 2.608 20 0 GFADRO CCOc1cc(Br)c(NC(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)cc1OCC ZINC000415005239 563756878 /nfs/dbraw/zinc/75/68/78/563756878.db2.gz ALPBMWQTQDWKOS-TXEJJXNPSA-N 1 0 398.301 2.930 20 0 GFADRO COc1cc(CN[C@@H]2CC[NH2+]C2(C)C)cc(I)c1OC ZINC000415046780 563756947 /nfs/dbraw/zinc/75/69/47/563756947.db2.gz VNMXHAROVDYTGY-CYBMUJFWSA-N 1 0 390.265 2.539 20 0 GFADRO O=C1N[C@H]2CN(Cc3cc(Cl)cc(Cl)c3)CC[C@H]2N1C1CC[NH2+]CC1 ZINC000415137338 563760471 /nfs/dbraw/zinc/76/04/71/563760471.db2.gz IUWNCXOJNZCRGX-DLBZAZTESA-N 1 0 383.323 2.714 20 0 GFADRO O=C1N[C@@H]2CN(Cc3cc(Cl)cc(Cl)c3)CC[C@H]2N1C1CC[NH2+]CC1 ZINC000415137341 563760635 /nfs/dbraw/zinc/76/06/35/563760635.db2.gz IUWNCXOJNZCRGX-IAGOWNOFSA-N 1 0 383.323 2.714 20 0 GFADRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)Nc1cc(Br)ccc1-n1cccn1 ZINC000415159336 563761231 /nfs/dbraw/zinc/76/12/31/563761231.db2.gz JPVGUVMHEITHKF-DGCLKSJQSA-N 1 0 378.274 2.754 20 0 GFADRO C[NH2+]C[C@@H]1CCCN1C(=O)Nc1ccc(F)cc1I ZINC000415254509 563764045 /nfs/dbraw/zinc/76/40/45/563764045.db2.gz SSTNFYXLANBVGN-JTQLQIEISA-N 1 0 377.201 2.646 20 0 GFADRO C[C@@H]1CN(C(=O)Nc2cc(I)ccc2Cl)C[C@H]1[NH3+] ZINC000415260103 563764055 /nfs/dbraw/zinc/76/40/55/563764055.db2.gz AOJAGBGYEHIBNL-GMSGAONNSA-N 1 0 379.629 2.756 20 0 GFADRO CC[NH+](CC)CCCNS(=O)(=O)c1cc(Br)c(F)cc1F ZINC000441786671 563764351 /nfs/dbraw/zinc/76/43/51/563764351.db2.gz HVHYKQODEDEYCX-UHFFFAOYSA-N 1 0 385.274 2.738 20 0 GFADRO O=C(CC[C@H]1CCC[NH2+]1)N1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000291912570 563765041 /nfs/dbraw/zinc/76/50/41/563765041.db2.gz QVWSZROUJCTTGC-MRXNPFEDSA-N 1 0 384.307 2.810 20 0 GFADRO O=C(NCC1=CC[NH2+]CC1)Nc1cc(I)ccc1Cl ZINC000415262351 563765060 /nfs/dbraw/zinc/76/50/60/563765060.db2.gz GCCAYTRFWHOIII-UHFFFAOYSA-N 1 0 391.640 2.986 20 0 GFADRO [NH3+]C1(CNC(=O)C(=O)Nc2ccc(Br)c(Cl)c2)CCCCC1 ZINC000415282246 563765608 /nfs/dbraw/zinc/76/56/08/563765608.db2.gz PWUGXRNBAAWEHT-UHFFFAOYSA-N 1 0 388.693 2.819 20 0 GFADRO C[C@@H]([NH3+])[C@H](C)NC(=O)Nc1cccc(Oc2ncc(Br)cn2)c1 ZINC000415300956 563765911 /nfs/dbraw/zinc/76/59/11/563765911.db2.gz LGZRPMGKFHORCO-ZJUUUORDSA-N 1 0 380.246 2.889 20 0 GFADRO CCOc1cc(Br)ccc1NC(=O)N1CC[C@@H](OC)C[C@H]1C[NH3+] ZINC000415295843 563766279 /nfs/dbraw/zinc/76/62/79/563766279.db2.gz IFTOVDDYQMYFTP-QWHCGFSZSA-N 1 0 386.290 2.818 20 0 GFADRO COC(=O)c1ccc(S(=O)(=O)NC[C@@H](C)[N@@H+]2CCCC[C@@H]2C)cc1Cl ZINC000441984051 563766753 /nfs/dbraw/zinc/76/67/53/563766753.db2.gz BNABYSICSLOQJJ-QWHCGFSZSA-N 1 0 388.917 2.668 20 0 GFADRO COC(=O)c1cc(Br)ccc1NC(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000415322136 563766959 /nfs/dbraw/zinc/76/69/59/563766959.db2.gz BJLXCFABMUUICA-GXFFZTMASA-N 1 0 384.274 2.875 20 0 GFADRO COC(=O)c1cc(Br)ccc1NC(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000415332107 563767368 /nfs/dbraw/zinc/76/73/68/563767368.db2.gz NEUDPSDCOSAOBB-MNOVXSKESA-N 1 0 384.274 2.684 20 0 GFADRO CCOC(=O)c1c(NC(=O)N[C@H](CC[NH3+])C(F)F)sc2c1CCCC2 ZINC000415336250 563767998 /nfs/dbraw/zinc/76/79/98/563767998.db2.gz QWAMCWAUWNMYJY-SNVBAGLBSA-N 1 0 375.441 2.908 20 0 GFADRO C[C@H](NC(=O)C(=O)Nc1ccc(Cl)c(Br)c1)[C@H]1CCC[NH2+]C1 ZINC000415353356 563769487 /nfs/dbraw/zinc/76/94/87/563769487.db2.gz LOBSRPOGTUMAQW-UWVGGRQHSA-N 1 0 388.693 2.545 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)Nc2cnn(-c3ccccc3Br)c2)CC[NH2+]1 ZINC000415353562 563769621 /nfs/dbraw/zinc/76/96/21/563769621.db2.gz MQWICVVFODGYQR-VXGBXAGGSA-N 1 0 378.274 2.897 20 0 GFADRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)Nc1cnn(-c2ccccc2Br)c1 ZINC000415355945 563770100 /nfs/dbraw/zinc/77/01/00/563770100.db2.gz PSRUTBYICXRPCX-FZMZJTMJSA-N 1 0 378.274 2.754 20 0 GFADRO [NH3+][C@@H]1CCCN(C(=O)[C@H]2CCCN2c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000364970618 563770474 /nfs/dbraw/zinc/77/04/74/563770474.db2.gz HEBSWURHIHJKFP-DGCLKSJQSA-N 1 0 376.810 2.672 20 0 GFADRO CC1(C)C[NH2+]CC[C@@H]1NC(=O)Nc1cccc(F)c1I ZINC000415368145 563771184 /nfs/dbraw/zinc/77/11/84/563771184.db2.gz ZMSUEBPASVGULJ-NSHDSACASA-N 1 0 391.228 2.940 20 0 GFADRO C[C@H](c1ccccc1)[C@@H]([NH2+]C[C@@H](O)c1ccccc1Br)C(N)=O ZINC000292063850 563771918 /nfs/dbraw/zinc/77/19/18/563771918.db2.gz CFQHQHMKJQQPES-CSMYWGQOSA-N 1 0 377.282 2.730 20 0 GFADRO C[NH2+]CC1CCN(C(=O)C(=O)Nc2cc3sc(C)nc3cc2Cl)CC1 ZINC000415395041 563772776 /nfs/dbraw/zinc/77/27/76/563772776.db2.gz NKWYWXNZWAMHIS-UHFFFAOYSA-N 1 0 380.901 2.655 20 0 GFADRO C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N1CC[C@]2(CCC[C@@H]2[NH3+])C1 ZINC000365086851 563773077 /nfs/dbraw/zinc/77/30/77/563773077.db2.gz BBJOLVFJVUMPPC-KQYVJACZSA-N 1 0 384.307 2.842 20 0 GFADRO Cc1cc(F)c(NC(=O)NC[C@@H]2CCC[NH2+]C2)c(I)c1 ZINC000415404475 563773132 /nfs/dbraw/zinc/77/31/32/563773132.db2.gz MSINXIZMNKAXCQ-SNVBAGLBSA-N 1 0 391.228 2.860 20 0 GFADRO Cc1cc(S(=O)(=O)N2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)sc1Cl ZINC000365084050 563773472 /nfs/dbraw/zinc/77/34/72/563773472.db2.gz NOYYPGYHIWDHAT-JHJVBQTASA-N 1 0 378.947 2.582 20 0 GFADRO COC(=O)c1cc(NC(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)ccc1Br ZINC000415409782 563773849 /nfs/dbraw/zinc/77/38/49/563773849.db2.gz UAXDFHOOJGREFA-GHMZBOCLSA-N 1 0 384.274 2.827 20 0 GFADRO O=C(CC[C@H]1CCC[NH2+]1)NC[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000292097069 563773959 /nfs/dbraw/zinc/77/39/59/563773959.db2.gz NYQPGENXCKVSDZ-GOEBONIOSA-N 1 0 380.330 2.924 20 0 GFADRO O=C(NCC[C@H]1CCC[NH2+]C1)C(=O)Nc1ccc(Br)c(Cl)c1 ZINC000415416448 563774109 /nfs/dbraw/zinc/77/41/09/563774109.db2.gz SXGPYBYFBRJDFN-SNVBAGLBSA-N 1 0 388.693 2.547 20 0 GFADRO O=C(NCC[C@@H]1CCC[NH2+]C1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000415418611 563774220 /nfs/dbraw/zinc/77/42/20/563774220.db2.gz YHYPCGMZQVQGCW-JTQLQIEISA-N 1 0 377.794 2.803 20 0 GFADRO [NH3+]C[C@H](NC(=O)C(=O)Nc1ccc(Br)cc1F)C1CCCCC1 ZINC000415422821 563774431 /nfs/dbraw/zinc/77/44/31/563774431.db2.gz FHZLELHGOSGFIQ-AWEZNQCLSA-N 1 0 386.265 2.551 20 0 GFADRO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)Nc2cc(Cl)c(OC)c(Cl)c2)C1 ZINC000442573826 563774476 /nfs/dbraw/zinc/77/44/76/563774476.db2.gz MOJOMIDZPKURNG-GFCCVEGCSA-N 1 0 388.295 2.883 20 0 GFADRO COCCOc1ccc(Br)cc1NC(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000415430520 563775156 /nfs/dbraw/zinc/77/51/56/563775156.db2.gz SXUJGAQSDXHTNU-DGCLKSJQSA-N 1 0 386.290 2.594 20 0 GFADRO COc1ccc(Br)c(NC(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c1 ZINC000365182082 563776220 /nfs/dbraw/zinc/77/62/20/563776220.db2.gz GRRMCUHWQCSTLW-JKSUJKDBSA-N 1 0 398.301 2.521 20 0 GFADRO Cc1cc(NC(=O)C(=O)NCC[NH2+]C2CCCCCC2)ncc1Br ZINC000415442730 563776267 /nfs/dbraw/zinc/77/62/67/563776267.db2.gz CAEJYWZDIFPYCX-UHFFFAOYSA-N 1 0 397.317 2.520 20 0 GFADRO [NH3+]C[C@@H](NC(=O)C(=O)Nc1nc(-c2cccs2)cs1)C1CCCCC1 ZINC000415442906 563776359 /nfs/dbraw/zinc/77/63/59/563776359.db2.gz GKYBCEVWITYANO-GFCCVEGCSA-N 1 0 378.523 2.834 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(C(F)(F)F)cc2Cl)C1 ZINC000415458634 563776961 /nfs/dbraw/zinc/77/69/61/563776961.db2.gz YQSPGWBXCRAIPN-NXEZZACHSA-N 1 0 377.794 2.883 20 0 GFADRO O=S(=O)(N[C@@H]1CC[N@H+](CC2CCCC2)C1)c1cnccc1C(F)(F)F ZINC000442742452 563777525 /nfs/dbraw/zinc/77/75/25/563777525.db2.gz ITPLOOBQQNDQPD-CYBMUJFWSA-N 1 0 377.432 2.643 20 0 GFADRO CC[NH2+]CC1CCN(C(=O)C(=O)Nc2ccc(C)cc2Br)CC1 ZINC000415476439 563778191 /nfs/dbraw/zinc/77/81/91/563778191.db2.gz LDNRWZTYYLUBPF-UHFFFAOYSA-N 1 0 382.302 2.544 20 0 GFADRO C[C@H]1CCCN(C(=O)Nc2cc(Br)cnc2-n2cccn2)[C@H]1C[NH3+] ZINC000415479902 563778208 /nfs/dbraw/zinc/77/82/08/563778208.db2.gz IIYZCYFNDIMQPJ-FZMZJTMJSA-N 1 0 393.289 2.621 20 0 GFADRO CC[NH2+]CC1CCN(C(=O)C(=O)Nc2c(C)cc(Br)cc2C)CC1 ZINC000415477810 563778350 /nfs/dbraw/zinc/77/83/50/563778350.db2.gz OCVZYPSRLVJQCI-UHFFFAOYSA-N 1 0 396.329 2.853 20 0 GFADRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)Nc1nnc(-c2cccc(Br)c2)s1 ZINC000415498584 563779550 /nfs/dbraw/zinc/77/95/50/563779550.db2.gz JWBTZNIDTUQNLL-UWVGGRQHSA-N 1 0 396.314 3.169 20 0 GFADRO CCCN(C(=O)C(=O)Nc1cc(F)ccc1Br)C1CC[NH2+]CC1 ZINC000415502538 563779752 /nfs/dbraw/zinc/77/97/52/563779752.db2.gz BHRJVFHVQBRNEU-UHFFFAOYSA-N 1 0 386.265 2.517 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)N(C)CC[C@@H]([NH3+])C(C)C ZINC000415504776 563780124 /nfs/dbraw/zinc/78/01/24/563780124.db2.gz PMEWPNOPXAVFPH-CQSZACIVSA-N 1 0 384.318 2.836 20 0 GFADRO C[C@H]1CCN(C(=O)Nc2nnc(-c3c(F)cccc3Cl)s2)C[C@@H]1C[NH3+] ZINC000415506123 563780179 /nfs/dbraw/zinc/78/01/79/563780179.db2.gz AUJMETLVWRNTGG-UWVGGRQHSA-N 1 0 383.880 3.446 20 0 GFADRO CCC([NH3+])(CC)CNC(=O)C(=O)Nc1cccc2c(Br)ccnc12 ZINC000415504611 563780240 /nfs/dbraw/zinc/78/02/40/563780240.db2.gz ZCGWWWCHJPFTOS-UHFFFAOYSA-N 1 0 393.285 2.570 20 0 GFADRO Cc1cc(Br)cc(Cl)c1NC(=O)C(=O)N1C[C@@H](C[NH3+])C[C@H]1C ZINC000415514117 563780644 /nfs/dbraw/zinc/78/06/44/563780644.db2.gz BLKAUJTZSRKTFL-NXEZZACHSA-N 1 0 388.693 2.545 20 0 GFADRO Cc1cc(C)c(NC(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)cc1Br ZINC000415523036 563781347 /nfs/dbraw/zinc/78/13/47/563781347.db2.gz FOFMNJFLJCZUQM-CQSZACIVSA-N 1 0 381.318 2.577 20 0 GFADRO C[C@@](C[NH3+])(NC(=O)Nc1ccnn1Cc1ccc(Br)cc1)C1CC1 ZINC000415520272 563781549 /nfs/dbraw/zinc/78/15/49/563781549.db2.gz ASOWVOMMNXWEGI-KRWDZBQOSA-N 1 0 392.301 2.943 20 0 GFADRO [NH3+]C[C@H](NC(=O)Nc1ccnn1Cc1cccc(Br)c1)C1CC1 ZINC000415523900 563782046 /nfs/dbraw/zinc/78/20/46/563782046.db2.gz AXLQXBUEFHXZGN-AWEZNQCLSA-N 1 0 378.274 2.553 20 0 GFADRO C[C@@H](CCC[NH3+])NC(=O)Nc1ccnn1Cc1cccc(Br)c1 ZINC000415524808 563782049 /nfs/dbraw/zinc/78/20/49/563782049.db2.gz DYGXANIFDHUZSH-LBPRGKRZSA-N 1 0 380.290 2.943 20 0 GFADRO CC1(C)C[C@@H]([NH2+]CCNS(=O)(=O)c2ccc(Cl)cc2F)C(C)(C)O1 ZINC000442863555 563782352 /nfs/dbraw/zinc/78/23/52/563782352.db2.gz RRGCIHCJZKRQOF-CQSZACIVSA-N 1 0 378.897 2.693 20 0 GFADRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)Nc1ccnn1Cc1cccc(Br)c1 ZINC000415527785 563782614 /nfs/dbraw/zinc/78/26/14/563782614.db2.gz OAOADFAXOIJOAS-QWHCGFSZSA-N 1 0 392.301 2.908 20 0 GFADRO CCOc1ccc(NC(=O)N2CC[C@H](OC)C[C@H]2C[NH3+])cc1Br ZINC000415540186 563783787 /nfs/dbraw/zinc/78/37/87/563783787.db2.gz XUMJLIFMYXIXAC-STQMWFEESA-N 1 0 386.290 2.818 20 0 GFADRO Cc1sc(Br)cc1S(=O)(=O)N1CCC[C@@H]([NH+](C)C)CC1 ZINC000365452225 563783966 /nfs/dbraw/zinc/78/39/66/563783966.db2.gz GNNSKWXLNUATPM-LLVKDONJSA-N 1 0 381.361 2.924 20 0 GFADRO C[N@@H+]1CC[C@@]2(CCN(C(=O)c3ccn(-c4cccc(Br)c4)n3)C2)C1 ZINC000292380170 563784080 /nfs/dbraw/zinc/78/40/80/563784080.db2.gz RMUAAQOYPVYPIN-GOSISDBHSA-N 1 0 389.297 2.803 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N2CCC3(C2)CC[NH2+]CC3)cc1Br ZINC000415554592 563784519 /nfs/dbraw/zinc/78/45/19/563784519.db2.gz PSWWMOOXALQNOY-UHFFFAOYSA-N 1 0 394.313 2.607 20 0 GFADRO [NH3+]CCCCNC(=O)C(=O)Nc1cc(Cl)ccc1SCC(F)(F)F ZINC000415576348 563784833 /nfs/dbraw/zinc/78/48/33/563784833.db2.gz YCCCUKYAUFBURI-UHFFFAOYSA-N 1 0 383.823 2.788 20 0 GFADRO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(-c3ccc(Cl)s3)nc2)[C@@H](C)C[NH2+]1 ZINC000415573119 563784920 /nfs/dbraw/zinc/78/49/20/563784920.db2.gz VIJSSMGGYSQXMG-MNOVXSKESA-N 1 0 378.885 2.611 20 0 GFADRO C[NH2+]C[C@H]1CCCN1C(=O)Nc1ccc(OC)cc1I ZINC000415591015 563785569 /nfs/dbraw/zinc/78/55/69/563785569.db2.gz CAOOWAALHOGHPD-SNVBAGLBSA-N 1 0 389.237 2.516 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000415583443 563785725 /nfs/dbraw/zinc/78/57/25/563785725.db2.gz QYTXPQKQIHHKKX-NWANDNLSSA-N 1 0 394.313 2.536 20 0 GFADRO COC(=O)c1c(Br)ccc(NC(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)c1C ZINC000415594847 563786317 /nfs/dbraw/zinc/78/63/17/563786317.db2.gz GREGBPPMROKQQC-VXGBXAGGSA-N 1 0 396.285 2.617 20 0 GFADRO COc1ccc(NC(=O)NC(C)(C)CCC[NH3+])c(I)c1 ZINC000415596274 563786349 /nfs/dbraw/zinc/78/63/49/563786349.db2.gz LTYUMIZWRHNGPZ-UHFFFAOYSA-N 1 0 391.253 2.939 20 0 GFADRO COC(=O)c1c(Br)ccc(NC(=O)NCCC2=CC[NH2+]CC2)c1C ZINC000415598580 563786479 /nfs/dbraw/zinc/78/64/79/563786479.db2.gz KUOFEXIGIZTOST-UHFFFAOYSA-N 1 0 396.285 2.975 20 0 GFADRO [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)Nc1cc(Cl)c(F)c(Cl)c1 ZINC000415601871 563786735 /nfs/dbraw/zinc/78/67/35/563786735.db2.gz JPMSOXHADSONIW-LLVKDONJSA-N 1 0 391.274 2.984 20 0 GFADRO COC(=O)c1c(Br)ccc(NC(=O)N2CC[C@]3(CC[NH2+]C3)C2)c1C ZINC000415601973 563786796 /nfs/dbraw/zinc/78/67/96/563786796.db2.gz QLNVFSCTHBNCDO-KRWDZBQOSA-N 1 0 396.285 2.761 20 0 GFADRO COC(=O)c1cc(NC(=O)NCCC[NH2+]C2CC2)cc(Br)c1F ZINC000415605667 563787445 /nfs/dbraw/zinc/78/74/45/563787445.db2.gz HUDRAAQEWRGOEI-UHFFFAOYSA-N 1 0 388.237 2.638 20 0 GFADRO COC(=O)c1cccc(NC(=O)N2CCC[C@@H](C)[C@H]2C[NH3+])c1Br ZINC000415608657 563787539 /nfs/dbraw/zinc/78/75/39/563787539.db2.gz LYCNFUXJFAOMLZ-ZWNOBZJWSA-N 1 0 384.274 2.827 20 0 GFADRO COC(=O)c1cccc(NC(=O)N[C@@H](C[NH3+])C2CCCC2)c1Br ZINC000415604427 563787687 /nfs/dbraw/zinc/78/76/87/563787687.db2.gz FQYDMROVVQUCAK-ZDUSSCGKSA-N 1 0 384.274 2.875 20 0 GFADRO OC[C@@H]1CC[C@H](C[NH2+]Cc2ccc(Br)c(Br)c2)O1 ZINC000292502570 563789022 /nfs/dbraw/zinc/78/90/22/563789022.db2.gz CNRPYEPPCQERLQ-MNOVXSKESA-N 1 0 379.092 2.841 20 0 GFADRO OC[C@@H](C[NH2+]Cc1cnn(CC(F)F)c1)Cc1cccc(Br)c1 ZINC000292494441 563789296 /nfs/dbraw/zinc/78/92/96/563789296.db2.gz BXOWVMGRDIOYOQ-CYBMUJFWSA-N 1 0 388.256 2.852 20 0 GFADRO O=C(NCCC[NH2+]C1CC1)Nc1ccc(-c2ccc(Br)s2)nn1 ZINC000415636791 563789442 /nfs/dbraw/zinc/78/94/42/563789442.db2.gz HIYIFIVPLPHALF-UHFFFAOYSA-N 1 0 396.314 3.231 20 0 GFADRO CC(C)C[C@](C)(C[NH3+])NC(=O)Nc1ccnn1-c1ccc(Br)cn1 ZINC000415641623 563789992 /nfs/dbraw/zinc/78/99/92/563789992.db2.gz UJLPTESVIFTGCI-MRXNPFEDSA-N 1 0 395.305 2.915 20 0 GFADRO COC(=O)c1cc(NC(=O)N[C@@H]2CC[NH2+][C@@H](C)C2)c(C)cc1Br ZINC000415704808 563792053 /nfs/dbraw/zinc/79/20/53/563792053.db2.gz IEFCVOQIODGTGV-WDEREUQCSA-N 1 0 384.274 2.806 20 0 GFADRO COC(=O)c1cc(NC(=O)NCCC2=CC[NH2+]CC2)c(C)cc1Br ZINC000415702594 563792165 /nfs/dbraw/zinc/79/21/65/563792165.db2.gz DIXVRKJBXPCABN-UHFFFAOYSA-N 1 0 396.285 2.975 20 0 GFADRO COC(=O)c1cc(NC(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)c(C)cc1Br ZINC000415707090 563792171 /nfs/dbraw/zinc/79/21/71/563792171.db2.gz LWOIBMKBZDNOCR-FZMZJTMJSA-N 1 0 396.285 2.760 20 0 GFADRO COC(=O)c1cc(NC(=O)N2C[C@H](C[NH3+])C[C@H]2C)c(C)cc1Br ZINC000415709050 563792755 /nfs/dbraw/zinc/79/27/55/563792755.db2.gz OUASMZAXMRBGPS-MNOVXSKESA-N 1 0 384.274 2.745 20 0 GFADRO O=S1(=O)CC[C@@H]([NH2+]C2CCN(Cc3csc(C4CCCC4)n3)CC2)C1 ZINC000365781694 563792815 /nfs/dbraw/zinc/79/28/15/563792815.db2.gz RADWIGAUVMLUCX-MRXNPFEDSA-N 1 0 383.583 2.542 20 0 GFADRO COC(=O)c1cc(NC(=O)N2CC[C@H]([C@@H](C)[NH3+])C2)c(C)cc1Br ZINC000415713178 563792839 /nfs/dbraw/zinc/79/28/39/563792839.db2.gz WMGVNZTYQPTVNE-MNOVXSKESA-N 1 0 384.274 2.745 20 0 GFADRO [NH3+]C[C@H]1CC[C@H](CNC(=O)C(=O)Nc2cc(Cl)c(Cl)cc2F)CC1 ZINC000415725265 563793287 /nfs/dbraw/zinc/79/32/87/563793287.db2.gz MQMKCCIJPJQUHK-MGCOHNPYSA-N 1 0 376.259 2.952 20 0 GFADRO CN(Cc1cc(Br)cs1)C(=O)CN1CC[C@@H](n2cccn2)C1 ZINC000365830112 563794139 /nfs/dbraw/zinc/79/41/39/563794139.db2.gz FQHPBWMEDZVSPK-CYBMUJFWSA-N 1 0 383.315 2.613 20 0 GFADRO O[C@H](COCC(F)(F)F)CN1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000292738466 563794188 /nfs/dbraw/zinc/79/41/88/563794188.db2.gz VVRRHJGWYXOHMZ-UONOGXRCSA-N 1 0 398.219 2.762 20 0 GFADRO O=C(Nc1cc(Cl)ccc1I)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000415753000 563794254 /nfs/dbraw/zinc/79/42/54/563794254.db2.gz FPBWJBZJPCHCML-DTORHVGOSA-N 1 0 391.640 2.628 20 0 GFADRO Cn1cc(Br)c(C(=O)N(CC[NH+](C)C)Cc2ccccc2F)n1 ZINC000292745111 563794328 /nfs/dbraw/zinc/79/43/28/563794328.db2.gz WIWATJLMCNUOPA-UHFFFAOYSA-N 1 0 383.265 2.526 20 0 GFADRO C[C@H](CCC[NH3+])NC(=O)C(=O)Nc1ccc(Br)c2ccccc12 ZINC000415760662 563795216 /nfs/dbraw/zinc/79/52/16/563795216.db2.gz MICNAUYBCARNIE-LLVKDONJSA-N 1 0 378.270 2.784 20 0 GFADRO O=C(NC[C@H]1CCC[NH2+]1)Nc1cc(Cl)ccc1I ZINC000415762570 563795227 /nfs/dbraw/zinc/79/52/27/563795227.db2.gz WPJYSKZJYQQEQF-SECBINFHSA-N 1 0 379.629 2.818 20 0 GFADRO C[NH2+]C[C@@H]1CCCN1C(=O)Nc1ccc(I)cc1OC ZINC000415775632 563796236 /nfs/dbraw/zinc/79/62/36/563796236.db2.gz VFOBZXRULZGDGN-NSHDSACASA-N 1 0 389.237 2.516 20 0 GFADRO Brc1ccc2ncc(CN3CCC(Oc4cnccn4)CC3)n2c1 ZINC000365941093 563796227 /nfs/dbraw/zinc/79/62/27/563796227.db2.gz LTEYWZDUFPTSTL-UHFFFAOYSA-N 1 0 388.269 2.930 20 0 GFADRO COc1cc(I)ccc1NC(=O)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000415774403 563796391 /nfs/dbraw/zinc/79/63/91/563796391.db2.gz PUIDOVGMEVTPAC-KOLCDFICSA-N 1 0 389.237 2.562 20 0 GFADRO CC(C)Sc1ccc(Cl)cc1NC(=O)C(=O)N[C@@H](CC[NH3+])C(F)F ZINC000415793075 563796773 /nfs/dbraw/zinc/79/67/73/563796773.db2.gz SZAKZQBXBGFEAK-JTQLQIEISA-N 1 0 379.860 2.878 20 0 GFADRO [NH3+][C@H]1CCC[C@@H](CNC(=O)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)C1 ZINC000415807120 563797418 /nfs/dbraw/zinc/79/74/18/563797418.db2.gz KXRNHVIYEQTGEB-KOLCDFICSA-N 1 0 377.794 2.931 20 0 GFADRO O=C(Nc1cc(Cl)c(Cl)cc1F)C(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000415812952 563797457 /nfs/dbraw/zinc/79/74/57/563797457.db2.gz BHWUUJIYIANZQH-QWRGUYRKSA-N 1 0 388.270 2.919 20 0 GFADRO O=C(NCCC[C@H]1CCC[NH2+]1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000415811862 563797694 /nfs/dbraw/zinc/79/76/94/563797694.db2.gz ZKHGUMHRVNEWSI-SNVBAGLBSA-N 1 0 377.794 2.946 20 0 GFADRO [NH3+][C@@H]1CCC[C@H](CNC(=O)C(=O)Nc2ccc(Cl)cc2Br)C1 ZINC000415806701 563797714 /nfs/dbraw/zinc/79/77/14/563797714.db2.gz KKOUNTYAXFETOI-GXSJLCMTSA-N 1 0 388.693 2.675 20 0 GFADRO [NH3+]C[C@@H](NC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1Cl)C1CCCC1 ZINC000415822524 563798511 /nfs/dbraw/zinc/79/85/11/563798511.db2.gz MGHYRCYFRSTMJY-CYBMUJFWSA-N 1 0 377.794 2.931 20 0 GFADRO CCOc1c(Cl)cc(NC(=O)C(=O)N2C[C@@H](C)[C@](C)(C[NH3+])C2)cc1Cl ZINC000415839960 563798734 /nfs/dbraw/zinc/79/87/34/563798734.db2.gz KWEANUBHIXNCMC-BMLIUANNSA-N 1 0 388.295 2.774 20 0 GFADRO CSc1ccc(NC(=O)C(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1Cl ZINC000415855667 563799506 /nfs/dbraw/zinc/79/95/06/563799506.db2.gz OZYOOHCAZOTIJT-STQMWFEESA-N 1 0 381.929 2.849 20 0 GFADRO Cc1cc(Br)cc(NC(=O)C(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000415851691 563799805 /nfs/dbraw/zinc/79/98/05/563799805.db2.gz IJLZWYKRBDCMAX-KGLIPLIRSA-N 1 0 394.313 2.544 20 0 GFADRO O=C(c1c(F)cccc1I)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000366183169 563800384 /nfs/dbraw/zinc/80/03/84/563800384.db2.gz ZBDIKOKTGUENAY-LLVKDONJSA-N 1 0 388.224 2.741 20 0 GFADRO O=C(Nc1ccc(-c2ccc(Cl)s2)nc1)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000415874252 563800564 /nfs/dbraw/zinc/80/05/64/563800564.db2.gz WLADOCBGFUVVHY-LLVKDONJSA-N 1 0 378.885 2.660 20 0 GFADRO CCOc1c(Cl)cc(CNC(=O)N[C@H](CC[NH3+])C(F)(F)F)cc1OC ZINC000416000126 563801791 /nfs/dbraw/zinc/80/17/91/563801791.db2.gz XORGJIAJGMMCEI-GFCCVEGCSA-N 1 0 383.798 2.826 20 0 GFADRO Cc1occc1C(=O)N1CCC([NH2+][C@H](C)Cn2cc(Br)cn2)CC1 ZINC000366244092 563802633 /nfs/dbraw/zinc/80/26/33/563802633.db2.gz UZTKUJBHJCXMFZ-GFCCVEGCSA-N 1 0 395.301 2.830 20 0 GFADRO [NH3+]CC[C@H](NC(=O)N[C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)C(F)(F)F ZINC000416034780 563803059 /nfs/dbraw/zinc/80/30/59/563803059.db2.gz UIYPOXXSWJJCRJ-RWMBFGLXSA-N 1 0 383.773 2.888 20 0 GFADRO [NH3+]CC[C@@H](NC(=O)N[C@@H](CCO)c1ccc(Cl)c(Cl)c1)C(F)(F)F ZINC000416051953 563804567 /nfs/dbraw/zinc/80/45/67/563804567.db2.gz UAUKHDXHXIDRKL-NWDGAFQWSA-N 1 0 388.217 2.996 20 0 GFADRO O=C1NC(=O)[C@H]2CC[N@@H+](CCSc3ccnc4cc(Cl)ccc43)C[C@H]12 ZINC000366303666 563804561 /nfs/dbraw/zinc/80/45/61/563804561.db2.gz AEDWSEHVKSMENG-JSGCOSHPSA-N 1 0 375.881 2.575 20 0 GFADRO O=C(Nc1nccn1Cc1ccc(Br)cc1)[C@H]1C[NH+]2CCC1CC2 ZINC000366295657 563804916 /nfs/dbraw/zinc/80/49/16/563804916.db2.gz MVSHPYOALGQOJG-INIZCTEOSA-N 1 0 389.297 2.974 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)C2CCN(C(=O)c3ccc(Cl)s3)CC2)C1 ZINC000366344461 563806282 /nfs/dbraw/zinc/80/62/82/563806282.db2.gz FLQSYVFGYOUQFN-TZMCWYRMSA-N 1 0 383.945 2.840 20 0 GFADRO CCOc1cc(C[NH+]2CCC(NC(=O)C3SCCS3)CC2)ccc1O ZINC000366413282 563807540 /nfs/dbraw/zinc/80/75/40/563807540.db2.gz JTQOCKAJJBHIRS-UHFFFAOYSA-N 1 0 382.551 2.678 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2C(=O)c1cc(F)ccc1Br ZINC000366428963 563808123 /nfs/dbraw/zinc/80/81/23/563808123.db2.gz MNSHVUCOZOKXDP-DAXOMENPSA-N 1 0 385.277 2.912 20 0 GFADRO C[C@@H]([NH2+][C@@H]1CCc2c[nH]nc2C1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000366444993 563808355 /nfs/dbraw/zinc/80/83/55/563808355.db2.gz HKVJENDVJBZICS-PSASIEDQSA-N 1 0 389.308 2.572 20 0 GFADRO Cn1cc(Br)cc(NC(=O)C[C@H](c2ccccc2)[NH+](C)C)c1=O ZINC000416194006 563809062 /nfs/dbraw/zinc/80/90/62/563809062.db2.gz QXTAHLZJLWXELC-OAHLLOKOSA-N 1 0 378.270 2.779 20 0 GFADRO O=C(c1cc2c(c(Br)c1)OCO2)N1CCC[C@H]2C[NH2+]CCC[C@H]21 ZINC000366459249 563809237 /nfs/dbraw/zinc/80/92/37/563809237.db2.gz XADWUCXMEOELRY-SMDDNHRTSA-N 1 0 381.270 2.782 20 0 GFADRO Cc1ccc(-n2nc(Br)cc2C(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000293473198 563814408 /nfs/dbraw/zinc/81/44/08/563814408.db2.gz QSPYPXSSTLVEAY-HIFRSBDPSA-N 1 0 389.297 2.767 20 0 GFADRO CC1(C)CCC[N@H+](CCNS(=O)(=O)c2cc3c(cc2Cl)OCCO3)C1 ZINC000443959702 563816127 /nfs/dbraw/zinc/81/61/27/563816127.db2.gz MUCNRYBVXBJOQG-UHFFFAOYSA-N 1 0 388.917 2.512 20 0 GFADRO COC(=O)c1c(Cl)cccc1S(=O)(=O)NC[C@H](C)[N@@H+]1CCCC[C@H]1C ZINC000416373285 563819196 /nfs/dbraw/zinc/81/91/96/563819196.db2.gz ONZVKEJSVCTEBX-OLZOCXBDSA-N 1 0 388.917 2.668 20 0 GFADRO C[C@@H](NC(=O)c1nn(C)cc1Br)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000293603506 563820386 /nfs/dbraw/zinc/82/03/86/563820386.db2.gz YCVNPLAMHLLGOG-UKRRQHHQSA-N 1 0 391.313 2.823 20 0 GFADRO Cc1c(C(=O)NC(C)(C)CCC[NH3+])nnn1-c1cccc(Br)c1 ZINC000293661612 563820799 /nfs/dbraw/zinc/82/07/99/563820799.db2.gz LQPAALMENZZTGW-UHFFFAOYSA-N 1 0 380.290 2.586 20 0 GFADRO CC(C)(CCC[NH3+])NC(=O)c1cc(F)c(F)cc1I ZINC000293683971 563820909 /nfs/dbraw/zinc/82/09/09/563820909.db2.gz OGFXMAAOJUFAKR-UHFFFAOYSA-N 1 0 382.192 2.817 20 0 GFADRO C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@@H](C)c2ccc(Br)s2)C[C@H]1C ZINC000444094523 563821543 /nfs/dbraw/zinc/82/15/43/563821543.db2.gz AWFMQJVESSVCFR-WOPDTQHZSA-N 1 0 390.347 2.668 20 0 GFADRO COc1nc(NC[C@H](C)[N@@H+]2CCc3sccc3C2)ncc1Br ZINC000444116550 563822172 /nfs/dbraw/zinc/82/21/72/563822172.db2.gz PXNMPRAZRVZXRD-JTQLQIEISA-N 1 0 383.315 3.168 20 0 GFADRO C[NH+]1CCC2(CCCN([C@@H](C(N)=O)c3cccc(Br)c3)C2)CC1 ZINC000366863911 563822784 /nfs/dbraw/zinc/82/27/84/563822784.db2.gz ICBSRJRJRQOING-MRXNPFEDSA-N 1 0 380.330 2.783 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)c2cnc3ccc(Br)cc3c2O)CC[N@@H+]1C ZINC000444259015 563825853 /nfs/dbraw/zinc/82/58/53/563825853.db2.gz JGJILPUJLRGFNG-PWSUYJOCSA-N 1 0 378.270 2.503 20 0 GFADRO Cc1cc(S(=O)(=O)N2CCC[C@H]2C[NH+](C)C)c(F)cc1Br ZINC000416424922 563827227 /nfs/dbraw/zinc/82/72/27/563827227.db2.gz BKSSHZVCLFMJRU-NSHDSACASA-N 1 0 379.295 2.611 20 0 GFADRO C[N@H+](CCOc1ccc(S(N)(=O)=O)cc1)Cc1cnc(C(C)(C)C)s1 ZINC000293946929 563828265 /nfs/dbraw/zinc/82/82/65/563828265.db2.gz ORGIPTIARCLMLB-UHFFFAOYSA-N 1 0 383.539 2.599 20 0 GFADRO C[N@@H+]1CC[C@](O)(CNC(=O)C2(c3cc(C(F)(F)F)ccc3Cl)CC2)C1 ZINC000444321045 563828654 /nfs/dbraw/zinc/82/86/54/563828654.db2.gz GHESITRJXOZOOU-HNNXBMFYSA-N 1 0 376.806 2.573 20 0 GFADRO C[NH+]1CCC(CNC(=O)N[C@@H]2COc3cc(F)c(Br)cc32)CC1 ZINC000367115349 563831774 /nfs/dbraw/zinc/83/17/74/563831774.db2.gz XJBVJJSGLCOHHO-CQSZACIVSA-N 1 0 386.265 2.663 20 0 GFADRO COC(=O)CN1CCC([NH2+]CCC(=O)Nc2cc(Cl)cc(Cl)c2)CC1 ZINC000294197011 563833972 /nfs/dbraw/zinc/83/39/72/563833972.db2.gz XOMDQCAXQUEVFQ-UHFFFAOYSA-N 1 0 388.295 2.549 20 0 GFADRO CC[N@H+](CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl)[C@H]1CCCC[C@H]1C ZINC000444664978 563834520 /nfs/dbraw/zinc/83/45/20/563834520.db2.gz NMTUBGOIELKDOR-WBMJQRKESA-N 1 0 387.933 2.827 20 0 GFADRO Cc1ccc(Br)c(NC(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)c1 ZINC000367184611 563834781 /nfs/dbraw/zinc/83/47/81/563834781.db2.gz KGEJHDASPJBUSS-HOTGVXAUSA-N 1 0 382.302 2.820 20 0 GFADRO CC1CCC([NH+]2CCC(NC(=O)c3cc(S(C)(=O)=O)cs3)CC2)CC1 ZINC000367199815 563835539 /nfs/dbraw/zinc/83/55/39/563835539.db2.gz FDYGZMYKWAWQHX-UHFFFAOYSA-N 1 0 384.567 2.925 20 0 GFADRO O=C(C[N@@H+](CCO)C1CCOCC1)Nc1c(Cl)cccc1C(F)(F)F ZINC000444779907 563836631 /nfs/dbraw/zinc/83/66/31/563836631.db2.gz ZKESWHTYEZYXIZ-UHFFFAOYSA-N 1 0 380.794 2.771 20 0 GFADRO C[C@@H](Cc1ccc(Br)cc1)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000367233700 563836991 /nfs/dbraw/zinc/83/69/91/563836991.db2.gz DNIBKBGXUBLUFX-KBXCAEBGSA-N 1 0 395.341 2.997 20 0 GFADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)Cc1cscc1Br ZINC000294339110 563838893 /nfs/dbraw/zinc/83/88/93/563838893.db2.gz TYFWSQYSZMJFCU-GFCCVEGCSA-N 1 0 387.343 2.765 20 0 GFADRO O=S(=O)(NCC1CC[NH+](C2CC2)CC1)c1ccc(F)c(C(F)(F)F)c1 ZINC000445063290 563842582 /nfs/dbraw/zinc/84/25/82/563842582.db2.gz BIKNHUMGLFQWKJ-UHFFFAOYSA-N 1 0 380.407 2.997 20 0 GFADRO O=C(c1csc(I)c1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000367408412 563843764 /nfs/dbraw/zinc/84/37/64/563843764.db2.gz SXNPHHAMYCIXEL-ZDUSSCGKSA-N 1 0 376.263 2.568 20 0 GFADRO O=C(NCCC[NH+]1CCCCC1)[C@@H]1CC(=O)Nc2ccc(Br)cc21 ZINC000445244834 563845796 /nfs/dbraw/zinc/84/57/96/563845796.db2.gz AEFMTWUYVFGYPJ-OAHLLOKOSA-N 1 0 394.313 2.867 20 0 GFADRO C[N@@H+]1CCC[C@@H](CCNS(=O)(=O)Cc2ccccc2Br)C1 ZINC000416550151 563846858 /nfs/dbraw/zinc/84/68/58/563846858.db2.gz DOKHNVDRPCUJPU-ZDUSSCGKSA-N 1 0 375.332 2.600 20 0 GFADRO O=C(CN1CCC([NH2+]Cc2cscc2Br)CC1)N1CCCC1 ZINC000367540301 563847814 /nfs/dbraw/zinc/84/78/14/563847814.db2.gz KJUIDHAFCMOXGU-UHFFFAOYSA-N 1 0 386.359 2.687 20 0 GFADRO C[N@@H+]1CCC[C@H](CCNS(=O)(=O)c2ccc(F)cc2Br)C1 ZINC000416558036 563848540 /nfs/dbraw/zinc/84/85/40/563848540.db2.gz HZCRTGCPGSUVIL-LLVKDONJSA-N 1 0 379.295 2.598 20 0 GFADRO CN(Cc1ccccc1Br)C(=O)C[NH2+]C1(C2CC2)CCOCC1 ZINC000367559084 563848815 /nfs/dbraw/zinc/84/88/15/563848815.db2.gz IWSWGNFVNXZRPU-UHFFFAOYSA-N 1 0 381.314 2.956 20 0 GFADRO O=C(NCCn1cc(Br)cn1)NC1CC[NH+](CC2CCCC2)CC1 ZINC000367769733 563854878 /nfs/dbraw/zinc/85/48/78/563854878.db2.gz BSQVGTNIEVICJQ-UHFFFAOYSA-N 1 0 398.349 2.599 20 0 GFADRO NC(=O)[C@@H](c1ccccc1)[NH+]1CCC(Cn2cc(Br)cn2)CC1 ZINC000367789284 563855661 /nfs/dbraw/zinc/85/56/61/563855661.db2.gz CYLADRZFFVAYID-MRXNPFEDSA-N 1 0 377.286 2.584 20 0 GFADRO CC1CCN(C(=[NH2+])NCc2ccc(S(C)(=O)=O)c(C(F)(F)F)c2)CC1 ZINC000446149086 563859846 /nfs/dbraw/zinc/85/98/46/563859846.db2.gz IQPVJWKRLUROMK-UHFFFAOYSA-N 1 0 377.432 2.865 20 0 GFADRO C[C@@H](NC(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1)c1ccc(Cl)cc1Cl ZINC000416823382 563861749 /nfs/dbraw/zinc/86/17/49/563861749.db2.gz YGKYQBRAXSDQPT-VXGBXAGGSA-N 1 0 387.311 2.551 20 0 GFADRO O=C([C@@H]1COc2ccc(Br)cc21)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000368025161 563861978 /nfs/dbraw/zinc/86/19/78/563861978.db2.gz ZEBJAUHDXVCFQJ-DAXOMENPSA-N 1 0 379.298 2.916 20 0 GFADRO O=C(Cc1ccccc1I)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000368024172 563862073 /nfs/dbraw/zinc/86/20/73/563862073.db2.gz VLWJHMGWSOMKIY-GOEBONIOSA-N 1 0 398.288 2.824 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2Cc1nc2ccccn2c1Br ZINC000368026014 563862074 /nfs/dbraw/zinc/86/20/74/563862074.db2.gz ZKGAQXCFYOHNED-KBMXLJTQSA-N 1 0 393.329 2.780 20 0 GFADRO [NH3+]CCCOC1CCN(C(=O)NCCc2ccc(Br)s2)CC1 ZINC000416912717 563862990 /nfs/dbraw/zinc/86/29/90/563862990.db2.gz CRLBUXXIJPIAFO-UHFFFAOYSA-N 1 0 390.347 2.593 20 0 GFADRO OCc1cn(CCC[NH2+][C@@H]2CCCCc3cc(Br)ccc32)nn1 ZINC000368083048 563863500 /nfs/dbraw/zinc/86/35/00/563863500.db2.gz IIAYOIGTZRZWQT-QGZVFWFLSA-N 1 0 379.302 2.980 20 0 GFADRO O=S(=O)(c1ccccc1OC(F)(F)F)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000368109500 563863868 /nfs/dbraw/zinc/86/38/68/563863868.db2.gz ONTLWDNSHWMZFF-ZDUSSCGKSA-N 1 0 378.416 2.595 20 0 GFADRO C[C@H]([NH2+][C@H]1CCc2nc[nH]c2C1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000368103594 563863872 /nfs/dbraw/zinc/86/38/72/563863872.db2.gz XEQZJBOHQIDAIK-IUCAKERBSA-N 1 0 389.308 2.572 20 0 GFADRO Cc1nc(C(=O)N(Cc2ccccc2Br)C2CC[NH+](C)CC2)no1 ZINC000368115150 563864701 /nfs/dbraw/zinc/86/47/01/563864701.db2.gz QTBURKAMIMAMDH-UHFFFAOYSA-N 1 0 393.285 2.877 20 0 GFADRO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)Nc1ccc(Cl)c(OC(F)F)c1 ZINC000416978704 563864689 /nfs/dbraw/zinc/86/46/89/563864689.db2.gz CYFUSGZJZHPWRR-WDEREUQCSA-N 1 0 377.819 2.860 20 0 GFADRO CCC[N@H+](C)CC(=O)NCc1ccc(Cl)cc1I ZINC000446493933 563864939 /nfs/dbraw/zinc/86/49/39/563864939.db2.gz ITCNZFABOUJXQE-UHFFFAOYSA-N 1 0 380.657 2.903 20 0 GFADRO O=C(N[C@H]1CC12CC[NH2+]CC2)c1nn(-c2ccc(F)cc2)cc1Br ZINC000368138054 563865226 /nfs/dbraw/zinc/86/52/26/563865226.db2.gz DTJQICZCDBTYSL-AWEZNQCLSA-N 1 0 393.260 2.646 20 0 GFADRO O=C(c1nn(-c2ccc(F)cc2)cc1Br)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000368169690 563865675 /nfs/dbraw/zinc/86/56/75/563865675.db2.gz ZCWDQTQCQPEMAE-ABAIWWIYSA-N 1 0 393.260 2.598 20 0 GFADRO O=C(CCC[S@](=O)c1ccc(Br)cc1)N[C@@H]1CC12CC[NH2+]CC2 ZINC000368229681 563866866 /nfs/dbraw/zinc/86/68/66/563866866.db2.gz ULKKVNLKYYJCFO-CMJOXMDJSA-N 1 0 399.354 2.595 20 0 GFADRO C[C@H](CCC[NH3+])NC(=O)N[C@H](C)c1cc2c(cc1Br)OCCO2 ZINC000417172806 563870010 /nfs/dbraw/zinc/87/00/10/563870010.db2.gz GIAALIKUTMSIAA-GHMZBOCLSA-N 1 0 386.290 2.708 20 0 GFADRO C[C@H](NC(=O)N[C@H]1CC[NH2+]C[C@@H]1C)c1cc2c(cc1Br)OCCO2 ZINC000417173124 563870058 /nfs/dbraw/zinc/87/00/58/563870058.db2.gz GVNKQYHLDCPCPV-MJVIPROJSA-N 1 0 398.301 2.579 20 0 GFADRO [NH2+]=C(NO)[C@@H]1CCCCN1Cc1nc(Cc2cccc(Br)c2)no1 ZINC000368527406 563873448 /nfs/dbraw/zinc/87/34/48/563873448.db2.gz RURWMZFZJDJYMA-ZDUSSCGKSA-N 1 0 394.273 2.733 20 0 GFADRO COCC1(CNC(=O)N[C@@H]2CCc3cc(Br)ccc32)CC[NH2+]CC1 ZINC000417241568 563875217 /nfs/dbraw/zinc/87/52/17/563875217.db2.gz KVWLFMBAVHROTG-MRXNPFEDSA-N 1 0 396.329 2.752 20 0 GFADRO CN(CC(C)(C)C[NH3+])C(=O)NC[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000417263137 563875799 /nfs/dbraw/zinc/87/57/99/563875799.db2.gz PDWNBPNHBYJBMS-AWEZNQCLSA-N 1 0 397.361 2.902 20 0 GFADRO O=C(N[C@H]1CCC[NH2+]CC1)c1ccc(I)cc1Cl ZINC000368718586 563877636 /nfs/dbraw/zinc/87/76/36/563877636.db2.gz IWKGMDLFTPTPNC-JTQLQIEISA-N 1 0 378.641 2.817 20 0 GFADRO COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+][C@H]1CCN(CC(F)F)C1 ZINC000417376474 563878865 /nfs/dbraw/zinc/87/88/65/563878865.db2.gz BZUSNPZPMGJNDV-AAEUAGOBSA-N 1 0 375.847 2.995 20 0 GFADRO C[NH2+]CCC1CCN(C(=O)NCc2cc(Br)ccc2OC)CC1 ZINC000417376806 563879271 /nfs/dbraw/zinc/87/92/71/563879271.db2.gz DZARSXQQNAQAFE-UHFFFAOYSA-N 1 0 384.318 2.989 20 0 GFADRO [NH3+]C[C@H]1CCCN1C(=O)NCc1cc(Br)ccc1OC(F)F ZINC000417413007 563879690 /nfs/dbraw/zinc/87/96/90/563879690.db2.gz VOUOMFGDTKMJFP-LLVKDONJSA-N 1 0 378.217 2.683 20 0 GFADRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)NCc2cc(Br)ccc2OC(F)F)C1 ZINC000417409102 563879723 /nfs/dbraw/zinc/87/97/23/563879723.db2.gz PLPRXYHIYUHNLN-BXKDBHETSA-N 1 0 392.244 2.977 20 0 GFADRO C[NH2+][C@H]1CCN(C(=O)NCc2cc(Br)ccc2OC(F)F)C1 ZINC000417410001 563879767 /nfs/dbraw/zinc/87/97/67/563879767.db2.gz QXBFISDFUXKLIH-NSHDSACASA-N 1 0 378.217 2.554 20 0 GFADRO O=C(NCc1cc(Br)ccc1OC(F)F)N[C@@H]1CCC[NH2+]C1 ZINC000417411615 563879780 /nfs/dbraw/zinc/87/97/80/563879780.db2.gz TXLBLKXTHWWJEX-LLVKDONJSA-N 1 0 378.217 2.602 20 0 GFADRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)NCc1cc(Br)ccc1OC(F)F ZINC000417412010 563879818 /nfs/dbraw/zinc/87/98/18/563879818.db2.gz ULVDFOKWJNLBDJ-VHSXEESVSA-N 1 0 392.244 2.929 20 0 GFADRO C[NH2+]C[C@H](C)CNC(=O)NCC1(c2ccc(Br)cc2)CCOCC1 ZINC000417429624 563880184 /nfs/dbraw/zinc/88/01/84/563880184.db2.gz NKUGHIZDAZFMQO-AWEZNQCLSA-N 1 0 398.345 2.652 20 0 GFADRO C[C@@H]([NH3+])[C@@H](C)NC(=O)NCC1(c2ccc(Br)cc2)CCOCC1 ZINC000417427184 563880258 /nfs/dbraw/zinc/88/02/58/563880258.db2.gz IMNBUZYLTFRDTD-CHWSQXEVSA-N 1 0 384.318 2.532 20 0 GFADRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)N[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000417476643 563880573 /nfs/dbraw/zinc/88/05/73/563880573.db2.gz DPTDLQQNRMWPGS-QRTARXTBSA-N 1 0 395.345 2.845 20 0 GFADRO CCCC[C@@H](C[NH3+])NC(=O)NCc1cc(OC)c(OC)cc1Br ZINC000417444486 563880587 /nfs/dbraw/zinc/88/05/87/563880587.db2.gz CWHMTEHUIPBGHK-LBPRGKRZSA-N 1 0 388.306 2.783 20 0 GFADRO CCC([NH3+])(CC)CNC(=O)NCCc1ccc(I)s1 ZINC000417441915 563880803 /nfs/dbraw/zinc/88/08/03/563880803.db2.gz RRPJLPDPTNNGFY-UHFFFAOYSA-N 1 0 395.310 2.712 20 0 GFADRO Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)NC(=O)N(CC[NH3+])CCO ZINC000417531705 563881936 /nfs/dbraw/zinc/88/19/36/563881936.db2.gz LTPOIAVHRFDSSY-GFCCVEGCSA-N 1 0 382.917 2.796 20 0 GFADRO Cc1csc(NC(=O)C[NH2+][C@@H]2CCN(Cc3cnc(C)s3)C[C@H]2C)n1 ZINC000368963287 563882973 /nfs/dbraw/zinc/88/29/73/563882973.db2.gz AKPRAAGGGVNKDR-IAQYHMDHSA-N 1 0 379.555 2.655 20 0 GFADRO Cc1csc(NC(=O)C[NH2+][C@H]2CCN(Cc3cnc(C)s3)C[C@H]2C)n1 ZINC000368963286 563883103 /nfs/dbraw/zinc/88/31/03/563883103.db2.gz AKPRAAGGGVNKDR-ABAIWWIYSA-N 1 0 379.555 2.655 20 0 GFADRO Cc1ccc(Br)cc1OCC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000447796739 563886486 /nfs/dbraw/zinc/88/64/86/563886486.db2.gz YDYKJVMGBBKSTJ-MRXNPFEDSA-N 1 0 399.329 2.609 20 0 GFADRO C[N@@H+]1CCCC(C)(C)[C@H]1CN[C@@H](C(N)=O)c1ccc(Br)cc1F ZINC000447797606 563886634 /nfs/dbraw/zinc/88/66/34/563886634.db2.gz LNMUNESKZKAXHJ-HUUCEWRRSA-N 1 0 386.309 2.825 20 0 GFADRO O=C(NCC1(c2ccccc2Br)CC1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000417737996 563887886 /nfs/dbraw/zinc/88/78/86/563887886.db2.gz WRBQAWHVKDTSOF-XJKSGUPXSA-N 1 0 378.314 2.874 20 0 GFADRO O=C(NCC1(c2ccccc2Br)CC1)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000417740127 563888178 /nfs/dbraw/zinc/88/81/78/563888178.db2.gz ZCIZAIXFRBVKJM-KBPBESRZSA-N 1 0 378.314 2.732 20 0 GFADRO O=C(NCC1(c2ccccc2Br)CC1)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000417735060 563888197 /nfs/dbraw/zinc/88/81/97/563888197.db2.gz SPZYGLDRJBCSMX-UONOGXRCSA-N 1 0 378.314 2.732 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)NCCOc2ncc(C(F)(F)F)cc2Cl)CC[NH2+]1 ZINC000417741780 563888554 /nfs/dbraw/zinc/88/85/54/563888554.db2.gz VHFISEXYNMNPEU-MWLCHTKSSA-N 1 0 380.798 2.572 20 0 GFADRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NS(=O)(=O)c1ccc(OC(F)F)c(F)c1 ZINC000447869922 563888882 /nfs/dbraw/zinc/88/88/82/563888882.db2.gz WAMGVIQIJRHBLI-VXGBXAGGSA-N 1 0 380.432 2.826 20 0 GFADRO C[C@H](CNC(=O)NC[C@@]1(C)CCC[NH2+]C1)Oc1ccc(Br)cc1 ZINC000417775538 563889173 /nfs/dbraw/zinc/88/91/73/563889173.db2.gz NMTIIMHAHBCORH-DYVFJYSZSA-N 1 0 384.318 2.905 20 0 GFADRO Cc1cc(N2CCC[C@@H]([N@@H+]3C[C@H](O)C(C)(C)C3)C2=O)ccc1Br ZINC000447874119 563889427 /nfs/dbraw/zinc/88/94/27/563889427.db2.gz VLGQFUXQKPZFNG-CVEARBPZSA-N 1 0 381.314 2.956 20 0 GFADRO Cc1sc([C@H](C)NC(=O)N(CC[NH3+])CCO)nc1-c1ccc(Cl)cc1 ZINC000417871800 563890431 /nfs/dbraw/zinc/89/04/31/563890431.db2.gz MLLOBNXDPYKEAP-NSHDSACASA-N 1 0 382.917 2.796 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)NCCOc2c(Cl)cc(Cl)cc2Cl)CCCO1 ZINC000417839754 563890561 /nfs/dbraw/zinc/89/05/61/563890561.db2.gz OAMWRRUAFXZYFK-LLVKDONJSA-N 1 0 396.702 2.785 20 0 GFADRO CC(C)[C@@H]([NH3+])CNC(=O)N[C@H](C)c1nc(-c2ccc(Br)cc2)no1 ZINC000417889353 563890899 /nfs/dbraw/zinc/89/08/99/563890899.db2.gz JIYBJVWRADZAJT-MFKMUULPSA-N 1 0 396.289 2.843 20 0 GFADRO [NH3+][C@@H]1C[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1c(Cl)cc(F)cc1Br ZINC000369327483 563892606 /nfs/dbraw/zinc/89/26/06/563892606.db2.gz SGKARAGBTMMVNQ-OWUUHHOZSA-N 1 0 397.697 2.884 20 0 GFADRO O=C(NCc1ccc(Br)cc1C(F)(F)F)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000417956537 563893012 /nfs/dbraw/zinc/89/30/12/563893012.db2.gz SNWDUTJRZYYRMI-MFKMUULPSA-N 1 0 392.219 2.971 20 0 GFADRO CO[C@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)N[C@@H](CC[NH3+])C(F)F ZINC000417971373 563893159 /nfs/dbraw/zinc/89/31/59/563893159.db2.gz AWSQEZMMTAZQBO-ICCXJUOJSA-N 1 0 394.260 2.807 20 0 GFADRO CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000417977670 563893571 /nfs/dbraw/zinc/89/35/71/563893571.db2.gz GFAUSVVQACYOCS-KNPMLCFXSA-N 1 0 384.318 2.822 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)NCc2cc(Cl)sc2Cl)CC12CCOCC2 ZINC000417975458 563893673 /nfs/dbraw/zinc/89/36/73/563893673.db2.gz XPLVCNDMGKGNJU-NSHDSACASA-N 1 0 378.325 2.952 20 0 GFADRO COc1cc(Br)ccc1CCCNC(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000417993685 563894073 /nfs/dbraw/zinc/89/40/73/563894073.db2.gz AVGVETLHICBBEZ-TZMCWYRMSA-N 1 0 384.318 2.769 20 0 GFADRO O=C(NCCC[NH2+]C1CC1)NCCc1c[nH]c2ccc(Br)cc12 ZINC000417993269 563894216 /nfs/dbraw/zinc/89/42/16/563894216.db2.gz AHSZEWVDSZKKTC-UHFFFAOYSA-N 1 0 379.302 2.914 20 0 GFADRO C[NH2+]C[C@@H]1CCN(C(=O)NCCc2c[nH]c3ccc(Br)cc23)C1 ZINC000417999190 563894602 /nfs/dbraw/zinc/89/46/02/563894602.db2.gz HWSPPFFPYHCBEZ-LBPRGKRZSA-N 1 0 379.302 2.724 20 0 GFADRO COc1cc(Br)ccc1CCCNC(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000418003177 563894611 /nfs/dbraw/zinc/89/46/11/563894611.db2.gz MVGCKWKPJHDFPP-WFASDCNBSA-N 1 0 384.318 2.688 20 0 GFADRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)NCCc1c[nH]c2ccc(Br)cc12 ZINC000418004218 563894643 /nfs/dbraw/zinc/89/46/43/563894643.db2.gz NVRISTNEFGSFHF-ZBEGNZNMSA-N 1 0 379.302 2.770 20 0 GFADRO C[C@H]1[C@@H](NC(=O)Nc2ccnn2-c2ccc(Br)cn2)CCC[N@@H+]1C ZINC000448131371 563894792 /nfs/dbraw/zinc/89/47/92/563894792.db2.gz XGKTXJWLKVJBLO-AAEUAGOBSA-N 1 0 393.289 2.634 20 0 GFADRO COc1cc(Br)ccc1CCCNC(=O)NC[C@H]1CCC[NH2+]C1 ZINC000418012084 563895134 /nfs/dbraw/zinc/89/51/34/563895134.db2.gz XQMKWWHFGYFIDA-ZDUSSCGKSA-N 1 0 384.318 2.689 20 0 GFADRO COc1cc(Br)ccc1CCCNC(=O)NCC1=CC[NH2+]CC1 ZINC000418009830 563895149 /nfs/dbraw/zinc/89/51/49/563895149.db2.gz UZZXXUZVFBZPPH-UHFFFAOYSA-N 1 0 382.302 2.609 20 0 GFADRO Cc1cc(Br)cn2cc(CNC(=O)N3CC[C@@H](C)[C@@H](C[NH3+])C3)nc12 ZINC000418015887 563895660 /nfs/dbraw/zinc/89/56/60/563895660.db2.gz FGKVRRYVIWMWMN-YPMHNXCESA-N 1 0 394.317 2.532 20 0 GFADRO Cc1cc(Br)cn2cc(CNC(=O)N3CCC[C@H]([C@H](C)[NH3+])C3)nc12 ZINC000418027765 563895846 /nfs/dbraw/zinc/89/58/46/563895846.db2.gz XJUOQLVVHAXLDX-STQMWFEESA-N 1 0 394.317 2.674 20 0 GFADRO CCCOC[C@@H](Cc1cccc(Br)c1)NC(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000418026012 563895973 /nfs/dbraw/zinc/89/59/73/563895973.db2.gz GSPZPCKSDWHWDL-XKQJLSEDSA-N 1 0 398.345 2.918 20 0 GFADRO CCCOC[C@@H](Cc1cccc(Br)c1)NC(=O)NCC[C@H](C)[NH3+] ZINC000418033147 563896421 /nfs/dbraw/zinc/89/64/21/563896421.db2.gz REEQGXHNLKAILF-XJKSGUPXSA-N 1 0 386.334 2.823 20 0 GFADRO C[C@@H](NC(=O)NCc1cc(Br)ccc1Br)[C@H](C)[NH3+] ZINC000418032405 563896585 /nfs/dbraw/zinc/89/65/85/563896585.db2.gz BPEZJNHMCZXGLF-JGVFFNPUSA-N 1 0 379.096 2.747 20 0 GFADRO C[C@H](C[NH3+])NC(=O)N[C@H](Cc1ccccn1)c1ccc(Br)cc1 ZINC000418066493 563897344 /nfs/dbraw/zinc/89/73/44/563897344.db2.gz NPTNEZSYPMXROP-MLGOLLRUSA-N 1 0 377.286 2.774 20 0 GFADRO C[NH2+]C[C@@H](C)CNC(=O)N[C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O ZINC000418076167 563897862 /nfs/dbraw/zinc/89/78/62/563897862.db2.gz GDUOXTVWQVYKFV-BXUZGUMPSA-N 1 0 387.311 2.644 20 0 GFADRO [NH3+]C[C@H](NC(=O)N[C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O)C1CC1 ZINC000418079521 563897899 /nfs/dbraw/zinc/89/78/99/563897899.db2.gz KXLJDDQHKQUFFA-KGLIPLIRSA-N 1 0 385.295 2.525 20 0 GFADRO CC(C)C[C@H](C[NH3+])NC(=O)NCc1cnn(-c2ccc(Br)cc2)c1 ZINC000418088360 563898063 /nfs/dbraw/zinc/89/80/63/563898063.db2.gz KEIDYDXPSOZPSG-OAHLLOKOSA-N 1 0 394.317 2.807 20 0 GFADRO CN(CC(C)(C)C[NH3+])C(=O)NCc1cnn(-c2ccc(Br)cc2)c1 ZINC000418087384 563898087 /nfs/dbraw/zinc/89/80/87/563898087.db2.gz GWTDUSZZGAARNZ-UHFFFAOYSA-N 1 0 394.317 2.761 20 0 GFADRO O=C(N[C@@H]1CSc2ccc(Br)cc21)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000418090409 563898603 /nfs/dbraw/zinc/89/86/03/563898603.db2.gz CNKPROWYDAIKBC-JTNHKYCSSA-N 1 0 382.327 2.847 20 0 GFADRO O=C(N[C@H]1CCN(c2cccc(Br)c2)C1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000418094957 563898626 /nfs/dbraw/zinc/89/86/26/563898626.db2.gz IPNPGGWYBFWRSJ-WMLDXEAASA-N 1 0 393.329 2.564 20 0 GFADRO COc1ccc(C[NH2+]CC(C)(C)C2(O)CCOCC2)c(Br)c1O ZINC000418121998 563899553 /nfs/dbraw/zinc/89/95/53/563899553.db2.gz FEVFIDMAMRAHFH-UHFFFAOYSA-N 1 0 388.302 2.821 20 0 GFADRO CC1(CNC(=O)N[C@H]2CCOc3c(Br)cccc32)CC[NH2+]CC1 ZINC000418166146 563900489 /nfs/dbraw/zinc/90/04/89/563900489.db2.gz TZZOMWQZYMHSLB-AWEZNQCLSA-N 1 0 382.302 2.962 20 0 GFADRO O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1-n1cc(Br)cn1 ZINC000448725163 563900540 /nfs/dbraw/zinc/90/05/40/563900540.db2.gz NODNBVKEAYEDMB-LSDHHAIUSA-N 1 0 389.297 2.991 20 0 GFADRO COCCN(CC[NH+](C)C)C(=O)CCc1cccc(F)c1Br ZINC000448914783 563903175 /nfs/dbraw/zinc/90/31/75/563903175.db2.gz VJJAPJDMERGGSE-UHFFFAOYSA-N 1 0 375.282 2.557 20 0 GFADRO Cc1ccc(CC(=O)NC[C@@H](C(C)C)[NH+]2CCN(C)CC2)c(Br)c1 ZINC000448968124 563904072 /nfs/dbraw/zinc/90/40/72/563904072.db2.gz FILZAFKERAPBOD-SFHVURJKSA-N 1 0 396.373 2.688 20 0 GFADRO C[C@@H]1CC[N@H+](C)CCN1C(=O)c1ccccc1-n1cc(Br)cn1 ZINC000448983230 563904575 /nfs/dbraw/zinc/90/45/75/563904575.db2.gz ZMRBDMGPAOYYAI-CYBMUJFWSA-N 1 0 377.286 2.801 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[N@@H+]1CC[C@@]2(CCOC2)C1 ZINC000449038054 563906069 /nfs/dbraw/zinc/90/60/69/563906069.db2.gz RDSRROXZDJNZPR-SCLBCKFNSA-N 1 0 397.313 2.575 20 0 GFADRO O=S1(=O)CC[C@H](C[NH2+]C2CC(c3ccc(Br)cc3F)C2)C1 ZINC000449077303 563906319 /nfs/dbraw/zinc/90/63/19/563906319.db2.gz YTBPTVQXLQTFND-XSRFYTQQSA-N 1 0 376.291 2.859 20 0 GFADRO NC(=O)[C@@H]1CCCN1CCC[NH2+]C1CC(c2ccc(Br)cc2F)C1 ZINC000449121586 563906813 /nfs/dbraw/zinc/90/68/13/563906813.db2.gz ICIFOKSIHSKYBQ-AJUCZRQESA-N 1 0 398.320 2.764 20 0 GFADRO CS(=O)(=O)N1CCC[C@@H]([NH2+][C@H]2CCc3c2ccc(F)c3Br)C1 ZINC000449098310 563906832 /nfs/dbraw/zinc/90/68/32/563906832.db2.gz IPHHKZUCPSQCJX-YGRLFVJLSA-N 1 0 391.306 2.589 20 0 GFADRO C[C@@H](COc1ccc(Cl)c(Cl)c1)[NH2+]C1CCN(CC(=O)N(C)C)CC1 ZINC000449124546 563906953 /nfs/dbraw/zinc/90/69/53/563906953.db2.gz PJNDEESMJLPPJR-ZDUSSCGKSA-N 1 0 388.339 2.903 20 0 GFADRO CC[C@@H](O)CCC[NH2+]Cc1cc(Br)ccc1O[C@H](C)C(=O)NC ZINC000449162599 563907426 /nfs/dbraw/zinc/90/74/26/563907426.db2.gz SKFXTEILDWOQJU-IUODEOHRSA-N 1 0 387.318 2.603 20 0 GFADRO COCCO[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CCc2c1ccc(F)c2Br ZINC000449256978 564178159 /nfs/dbraw/zinc/17/81/59/564178159.db2.gz KKTRRTUHZPKLFM-OWCLPIDISA-N 1 0 388.277 2.986 20 0 GFADRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+][C@H](C)CC(=O)Nc1ccc(Br)cc1 ZINC000537943314 564178205 /nfs/dbraw/zinc/17/82/05/564178205.db2.gz JQGRLNMALKCNPY-KCPJHIHWSA-N 1 0 382.302 2.671 20 0 GFADRO C[C@H]([NH2+]CC1(CO)COC1)c1ccc(Br)cc1Br ZINC000537954242 564178277 /nfs/dbraw/zinc/17/82/77/564178277.db2.gz YYVHGDIXSHRPQZ-VIFPVBQESA-N 1 0 379.092 2.871 20 0 GFADRO C[C@H](CC[NH2+][C@@H](C)c1ccc(S(=O)(=O)N2CCCCC2)cc1)[S@](C)=O ZINC000537962710 564178311 /nfs/dbraw/zinc/17/83/11/564178311.db2.gz IFZMUCZTICHNPS-YPCHGGDPSA-N 1 0 386.583 2.669 20 0 GFADRO O=C(c1ccoc1)N1CCC([NH2+][C@H](CO)c2ccc(Br)cc2)CC1 ZINC000537943129 564178691 /nfs/dbraw/zinc/17/86/91/564178691.db2.gz CLSPVFRHCPFBEI-QGZVFWFLSA-N 1 0 393.281 2.970 20 0 GFADRO CC(C)(C)[C@@H](O)C[C@H](CO)[NH2+]Cc1ccc(I)cc1 ZINC000449316225 564179592 /nfs/dbraw/zinc/17/95/92/564179592.db2.gz XRTNBXIVLGVAHT-KGLIPLIRSA-N 1 0 377.266 2.539 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+][C@H]1CSC1(C)C ZINC000449309333 564179719 /nfs/dbraw/zinc/17/97/19/564179719.db2.gz DFIUNCWVBZLSIB-HZMBPMFUSA-N 1 0 387.343 2.946 20 0 GFADRO C[C@@H](C[NH2+]Cc1ccc(C[S@](C)=O)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000449319487 564180581 /nfs/dbraw/zinc/18/05/81/564180581.db2.gz KBXNEDLOLOARNK-OWJWWREXSA-N 1 0 379.547 2.862 20 0 GFADRO C[N@H+](CCNC(=O)C(=O)Nc1ccc(Br)c2ccccc12)C1CC1 ZINC000538063992 564181725 /nfs/dbraw/zinc/18/17/25/564181725.db2.gz ZVONDZYFRRJGTM-UHFFFAOYSA-N 1 0 390.281 2.751 20 0 GFADRO COCC[C@H](Cc1cccc(F)c1)[NH2+]CCn1cc(Br)ccc1=O ZINC000449373308 564181835 /nfs/dbraw/zinc/18/18/35/564181835.db2.gz BRVCOTJHAHKZQM-QGZVFWFLSA-N 1 0 397.288 2.987 20 0 GFADRO Cc1cc(COc2ccc(C(=O)NCC[NH+]3CCC3)cc2Br)on1 ZINC000505406784 564182114 /nfs/dbraw/zinc/18/21/14/564182114.db2.gz YOFOBWDWQNTTHK-UHFFFAOYSA-N 1 0 394.269 2.760 20 0 GFADRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(I)cc2)[C@H]1n1cccn1 ZINC000449345844 564182426 /nfs/dbraw/zinc/18/24/26/564182426.db2.gz XBXXEYWBPQJAGG-ARFHVFGLSA-N 1 0 397.260 2.996 20 0 GFADRO Cc1cc(COc2ccc(C(=O)NCC[NH+]3CCC3)cc2Br)no1 ZINC000505425110 564182923 /nfs/dbraw/zinc/18/29/23/564182923.db2.gz LMHKAGULJHDDCD-UHFFFAOYSA-N 1 0 394.269 2.760 20 0 GFADRO Cn1c(C[NH2+]CCn2cc(Br)ccc2=O)nc2ccc(Cl)cc21 ZINC000449377117 564183075 /nfs/dbraw/zinc/18/30/75/564183075.db2.gz NXPQKNBEEUVHGL-UHFFFAOYSA-N 1 0 395.688 2.941 20 0 GFADRO C[NH+]1CCC([C@@H]2CCN(C(=O)[C@H]3Cc4cc(Br)ccc4O3)C2)CC1 ZINC000471054556 564183788 /nfs/dbraw/zinc/18/37/88/564183788.db2.gz YOMTWPUSWZACGO-RDTXWAMCSA-N 1 0 393.325 2.943 20 0 GFADRO C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)NCCN1CCOC(C)(C)C1 ZINC000505483558 564183889 /nfs/dbraw/zinc/18/38/89/564183889.db2.gz KBSUKHFJDKPNOS-LBPRGKRZSA-N 1 0 375.296 2.988 20 0 GFADRO C[C@H](NC(=O)c1cc[nH]c(=O)c1Br)[C@@H](c1ccccc1)[NH+](C)C ZINC000505597377 564186783 /nfs/dbraw/zinc/18/67/83/564186783.db2.gz SFUUAWWIAZWBES-NHYWBVRUSA-N 1 0 378.270 2.971 20 0 GFADRO Cc1nc2ccc(Br)cn2c1C(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000505666596 564187119 /nfs/dbraw/zinc/18/71/19/564187119.db2.gz WNAPAYPTNOCBQE-GOSISDBHSA-N 1 0 391.313 2.963 20 0 GFADRO C[C@@H]1CN(Cc2cnn(-c3ccc(Br)cc3)c2)C[C@H](C)[N@H+]1CCO ZINC000449539182 564189907 /nfs/dbraw/zinc/18/99/07/564189907.db2.gz HZEGRZKMUOAAMX-GASCZTMLSA-N 1 0 393.329 2.522 20 0 GFADRO CC[C@@H]([NH2+]Cc1cc(I)c(OC)c(OC)c1)[C@@H](C)O ZINC000449541853 564190244 /nfs/dbraw/zinc/19/02/44/564190244.db2.gz LATLOIIVNULABD-BXKDBHETSA-N 1 0 379.238 2.557 20 0 GFADRO COC1(C[NH2+]C[C@H](CO)Cc2cc(Br)ccc2F)CCOCC1 ZINC000449599469 564190863 /nfs/dbraw/zinc/19/08/63/564190863.db2.gz LATZAHWXCHLKCL-CYBMUJFWSA-N 1 0 390.293 2.524 20 0 GFADRO COc1ccc(C[C@H](CO)C[NH2+]Cc2cncc(F)c2)cc1Br ZINC000449598401 564190930 /nfs/dbraw/zinc/19/09/30/564190930.db2.gz IGIOCWPREXJXET-AWEZNQCLSA-N 1 0 383.261 2.933 20 0 GFADRO COc1cccc(C[NH2+]C[C@@H](CO)Cc2ccc(OC)c(Br)c2)n1 ZINC000449597200 564190941 /nfs/dbraw/zinc/19/09/41/564190941.db2.gz DLMPTTOMXPUKSU-AWEZNQCLSA-N 1 0 395.297 2.802 20 0 GFADRO Cc1ccc(C[C@H](CO)C[NH2+][C@H]2CCC(=O)NC2(C)C)cc1Br ZINC000449599441 564191013 /nfs/dbraw/zinc/19/10/13/564191013.db2.gz KVTPNGCRDWFVOG-HOCLYGCPSA-N 1 0 383.330 2.555 20 0 GFADRO COc1ccc(C[C@H](CO)C[NH2+][C@H]2C[C@@H](C)N(C3CC3)C2)cc1Br ZINC000449598936 564191199 /nfs/dbraw/zinc/19/11/99/564191199.db2.gz JMXLZKCOBMUXIX-KBMXLJTQSA-N 1 0 397.357 2.824 20 0 GFADRO Cc1c(I)cccc1C(=O)N(C)[C@@H]1C[NH+]2CCC1CC2 ZINC000471284168 564191377 /nfs/dbraw/zinc/19/13/77/564191377.db2.gz XLEYYHLVVXBJEV-OAHLLOKOSA-N 1 0 384.261 2.766 20 0 GFADRO C[C@]1(CNC(=O)Nc2cc(Br)cnc2-n2cccn2)CCC[NH2+]C1 ZINC000563490913 564193436 /nfs/dbraw/zinc/19/34/36/564193436.db2.gz YMCHBTZBPLQSKE-INIZCTEOSA-N 1 0 393.289 2.541 20 0 GFADRO C[C@H](Cn1cc(Br)cn1)[NH2+][C@H](C)C(=O)N1c2ccccc2C[C@H]1C ZINC000449645283 564193551 /nfs/dbraw/zinc/19/35/51/564193551.db2.gz JEUQJLCICQQKHT-MGPQQGTHSA-N 1 0 391.313 2.990 20 0 GFADRO COc1cc(Cl)c(C[N@@H+]2CCC[C@@H]2C[C@]2(C)NC(=O)NC2=O)cc1Cl ZINC000563481652 564193568 /nfs/dbraw/zinc/19/35/68/564193568.db2.gz FWCNEYQUJTURBU-DIFFPNOSSA-N 1 0 386.279 2.955 20 0 GFADRO O=C(NC[C@@H]1CCC[NH2+]1)Nc1ccnn1Cc1cccc(Br)c1 ZINC000563489393 564193681 /nfs/dbraw/zinc/19/36/81/564193681.db2.gz NPXURCOTHPFDIE-AWEZNQCLSA-N 1 0 378.274 2.567 20 0 GFADRO [NH3+][C@H]1CCO[C@H](C2CCN(Cc3cc4c(c(Br)c3)OCO4)CC2)C1 ZINC000563519412 564194237 /nfs/dbraw/zinc/19/42/37/564194237.db2.gz OJEFXCMWRFGJQU-HOCLYGCPSA-N 1 0 397.313 2.896 20 0 GFADRO NC(=O)c1ccc(C[NH2+]C[C@@H](CO)Cc2ccc(F)c(Br)c2)cc1 ZINC000449677846 564194298 /nfs/dbraw/zinc/19/42/98/564194298.db2.gz DABXSDBLVLUYFI-AWEZNQCLSA-N 1 0 395.272 2.628 20 0 GFADRO COc1ccc(Br)cc1C[C@@H](CO)C[NH2+]Cc1c(C)n[nH]c1C ZINC000449678913 564195242 /nfs/dbraw/zinc/19/52/42/564195242.db2.gz GMSUSALZJXDFAB-CYBMUJFWSA-N 1 0 382.302 2.738 20 0 GFADRO CCn1cc(C[NH2+]C[C@H](CO)Cc2cc(Br)ccc2OC)cn1 ZINC000449686153 564196929 /nfs/dbraw/zinc/19/69/29/564196929.db2.gz XSQBBBZJSBQNCO-CYBMUJFWSA-N 1 0 382.302 2.615 20 0 GFADRO COc1ccc(Br)cc1C[C@H](CO)C[NH2+][C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000449685880 564197076 /nfs/dbraw/zinc/19/70/76/564197076.db2.gz WJVGRFCSDGSSLH-KEYYUXOJSA-N 1 0 397.357 2.824 20 0 GFADRO Cc1ccc(S(=O)(=O)N2CCC([NH2+][C@H](CO)c3ccsc3)CC2)cc1 ZINC000471606244 564199222 /nfs/dbraw/zinc/19/92/22/564199222.db2.gz MUMYQRXZUCUGJD-GOSISDBHSA-N 1 0 380.535 2.533 20 0 GFADRO O=C(c1cc(I)ccc1Cl)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000449737713 564199544 /nfs/dbraw/zinc/19/95/44/564199544.db2.gz ZTUGUZAEZMPCQU-TVQRCGJNSA-N 1 0 390.652 2.769 20 0 GFADRO C[NH+](C)CCOCCNC(=O)NC(C)(C)Cc1ccc(Br)cc1 ZINC000471635511 564200147 /nfs/dbraw/zinc/20/01/47/564200147.db2.gz KHPUYQKZDAZLST-UHFFFAOYSA-N 1 0 386.334 2.648 20 0 GFADRO Cc1ccc(CCCNc2cc(N3CCOCC3)c(Br)c[nH+]2)cn1 ZINC000449764625 564200917 /nfs/dbraw/zinc/20/09/17/564200917.db2.gz COKZZTLUKIKHGQ-UHFFFAOYSA-N 1 0 391.313 3.429 20 0 GFADRO O=C(CCCOc1cccc(Br)c1)N[C@@H](CO)C[NH+]1CCCCC1 ZINC000563658214 564201367 /nfs/dbraw/zinc/20/13/67/564201367.db2.gz VRPVTVDGJMZDEA-MRXNPFEDSA-N 1 0 399.329 2.571 20 0 GFADRO CC[NH+](CC)CC[C@H](CO)NC(=O)c1cc2ccc(Br)cc2[nH]1 ZINC000538820342 564202614 /nfs/dbraw/zinc/20/26/14/564202614.db2.gz HSTVMSACTJNZHI-CQSZACIVSA-N 1 0 382.302 2.753 20 0 GFADRO CN1CC[NH+](CC2CCN(C(=O)c3ccsc3Br)CC2)CC1 ZINC000449857795 564206725 /nfs/dbraw/zinc/20/67/25/564206725.db2.gz SAMSMKPHPWUVHS-UHFFFAOYSA-N 1 0 386.359 2.610 20 0 GFADRO C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)C)c1ccc(Br)cn1 ZINC000563800755 564207906 /nfs/dbraw/zinc/20/79/06/564207906.db2.gz IBUMZBZTXGVRPL-OHRKKDJYSA-N 1 0 395.345 2.578 20 0 GFADRO COCC[N@@H+]1CC[C@H](NC(=O)c2cc(Br)cc(OC(C)C)c2)C1 ZINC000471956003 564207962 /nfs/dbraw/zinc/20/79/62/564207962.db2.gz DIIXEDBFGOKQCA-HNNXBMFYSA-N 1 0 385.302 2.687 20 0 GFADRO C[C@H](CCc1ccc(Cl)s1)[NH2+]CCS(=O)(=O)NC[C@@H]1CCCCO1 ZINC000539080760 564208499 /nfs/dbraw/zinc/20/84/99/564208499.db2.gz QDYPUTVIVLHCRN-KGLIPLIRSA-N 1 0 394.990 2.801 20 0 GFADRO CN(C)c1cc[nH+]cc1C(=O)N[C@H]1COc2cc(F)c(Br)cc21 ZINC000506668807 564209151 /nfs/dbraw/zinc/20/91/51/564209151.db2.gz JBDURUKEAVJYLT-ZDUSSCGKSA-N 1 0 380.217 2.913 20 0 GFADRO C[C@H](C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1ccc(Cl)c(Cl)c1 ZINC000471991641 564210179 /nfs/dbraw/zinc/21/01/79/564210179.db2.gz JTGBUYHEZRUNHA-GXTWGEPZSA-N 1 0 386.323 2.801 20 0 GFADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)CCOc1cccc(Cl)c1Cl ZINC000472095877 564212892 /nfs/dbraw/zinc/21/28/92/564212892.db2.gz QRIVSTMSAFRPKS-AWEZNQCLSA-N 1 0 388.339 2.905 20 0 GFADRO CCC[N@H+](CC)CCNC(=O)[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000472213205 564216544 /nfs/dbraw/zinc/21/65/44/564216544.db2.gz YGZDBRXTEMDIEF-MRXNPFEDSA-N 1 0 396.329 2.650 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)c2cc(F)c(F)cc2I)CC[N@@H+]1C ZINC000472247138 564217490 /nfs/dbraw/zinc/21/74/90/564217490.db2.gz OKPYBAJOAAPUNA-BDAKNGLRSA-N 1 0 394.203 2.782 20 0 GFADRO CCS(=O)(=O)c1ccc(CNC(=O)N(C)CC[NH+](C(C)C)C(C)C)s1 ZINC000472293352 564219047 /nfs/dbraw/zinc/21/90/47/564219047.db2.gz CXHYUZQDLDOJDI-UHFFFAOYSA-N 1 0 389.587 2.802 20 0 GFADRO Cc1cc(Br)cc(C)c1S(=O)(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000472338637 564221165 /nfs/dbraw/zinc/22/11/65/564221165.db2.gz ASJNRWGQCPZSSN-JSGCOSHPSA-N 1 0 387.343 2.969 20 0 GFADRO CCc1ncc(C[NH2+]CC2CCN(S(=O)(=O)c3ccccc3)CC2)s1 ZINC000539505324 564221429 /nfs/dbraw/zinc/22/14/29/564221429.db2.gz UDEJJUZWXXGIHG-UHFFFAOYSA-N 1 0 379.551 2.896 20 0 GFADRO CCN(CC)S(=O)(=O)c1ccc(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)s1 ZINC000539500021 564221550 /nfs/dbraw/zinc/22/15/50/564221550.db2.gz OJNCJAFZHDJBFP-UAGQMJEPSA-N 1 0 384.567 2.826 20 0 GFADRO Cc1ccc(Br)cc1CC(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000450260354 564223972 /nfs/dbraw/zinc/22/39/72/564223972.db2.gz BUCQKECTZKZRRX-UHFFFAOYSA-N 1 0 383.330 2.605 20 0 GFADRO COCCOC[C@H](O)C[N@H+](Cc1cc(Br)ccc1F)C(C)C ZINC000450304354 564226056 /nfs/dbraw/zinc/22/60/56/564226056.db2.gz QNDAOWCCBKBAAM-OAHLLOKOSA-N 1 0 378.282 2.823 20 0 GFADRO Cc1cc(Br)ccc1S(=O)(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000472568684 564226936 /nfs/dbraw/zinc/22/69/36/564226936.db2.gz GPQMYUGDBSXLAQ-UONOGXRCSA-N 1 0 375.332 2.909 20 0 GFADRO CC(C)[NH+]1CCC(N(C)C[C@@H](O)COc2ccc(Br)cc2)CC1 ZINC000507364669 564227218 /nfs/dbraw/zinc/22/72/18/564227218.db2.gz WQVKJMBWYIRMHH-QGZVFWFLSA-N 1 0 385.346 2.993 20 0 GFADRO Cc1ccc(C(=O)N2CC[NH+]([C@H]3CCNC(=O)CC3)CC2)c(Cl)c1Cl ZINC000564295472 564227520 /nfs/dbraw/zinc/22/75/20/564227520.db2.gz COFBOLJQMYESMJ-CYBMUJFWSA-N 1 0 384.307 2.728 20 0 GFADRO CCN1CCN(C(=O)C(=O)Nc2cc(Cl)ccc2C(F)(F)F)[C@@H](C)C1 ZINC000507425052 564229035 /nfs/dbraw/zinc/22/90/35/564229035.db2.gz VFORREPSNIRVMD-JTQLQIEISA-N 1 0 377.794 2.850 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cccc(Br)c1[O-] ZINC000539840886 564229529 /nfs/dbraw/zinc/22/95/29/564229529.db2.gz LBALTRNPQGFSKS-AWEZNQCLSA-N 1 0 398.345 2.643 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)C(=O)N1CCN(CC)C[C@@H]1C ZINC000507488705 564229706 /nfs/dbraw/zinc/22/97/06/564229706.db2.gz YOIACBLZBBCDKX-LBPRGKRZSA-N 1 0 382.302 2.503 20 0 GFADRO CC[C@@H](c1ccc(Br)cc1)[N@@H+]1CCC[C@H](CS(N)(=O)=O)C1 ZINC000472754452 564232405 /nfs/dbraw/zinc/23/24/05/564232405.db2.gz QJIMOXMYRBDNPZ-WFASDCNBSA-N 1 0 375.332 2.901 20 0 GFADRO C[NH+]1CCC(CNC(=O)c2c(O)cnc3c(Br)cccc32)CC1 ZINC000564434171 564233740 /nfs/dbraw/zinc/23/37/40/564233740.db2.gz NFOYYNGCOKLGTP-UHFFFAOYSA-N 1 0 378.270 2.775 20 0 GFADRO CC[C@@H](C)[NH2+][C@@H](CNS(=O)(=O)c1cccc2nsnc21)c1ccco1 ZINC000564478407 564235932 /nfs/dbraw/zinc/23/59/32/564235932.db2.gz SVRLLMBXPYLEKM-YPMHNXCESA-N 1 0 380.495 2.692 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)C(=O)N1C[C@H]([NH+]2CCCC2)C[C@H]1C ZINC000507631653 564235873 /nfs/dbraw/zinc/23/58/73/564235873.db2.gz NSBIIRVACPBLIK-UKRRQHHQSA-N 1 0 394.313 2.781 20 0 GFADRO C[C@@H]1[C@H](C)N(Cc2csc(-c3ccc(S(C)(=O)=O)cc3)n2)CC[N@H+]1C ZINC000540052831 564238261 /nfs/dbraw/zinc/23/82/61/564238261.db2.gz KHDCVIVCXKNNAO-KGLIPLIRSA-N 1 0 379.551 2.738 20 0 GFADRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)C(=O)Nc1c(F)cccc1Br ZINC000507672089 564238671 /nfs/dbraw/zinc/23/86/71/564238671.db2.gz ACHDMIAPSBBLTG-RYUDHWBXSA-N 1 0 398.276 2.612 20 0 GFADRO CN1CCN(C(=O)C[NH2+]C2(c3ccc(Br)cc3)CCCC2)CC1 ZINC000540066497 564239090 /nfs/dbraw/zinc/23/90/90/564239090.db2.gz FTGRDZJFHBCGFM-UHFFFAOYSA-N 1 0 380.330 2.582 20 0 GFADRO CC(C)Oc1cc(Br)ccc1C(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000564569616 564239448 /nfs/dbraw/zinc/23/94/48/564239448.db2.gz GQMSDPZMKTWHRL-ZDUSSCGKSA-N 1 0 377.229 2.963 20 0 GFADRO Cc1ccc(OC[C@@H](O)C[NH2+]CCCCn2cc(Br)cn2)cc1 ZINC000564561497 564239489 /nfs/dbraw/zinc/23/94/89/564239489.db2.gz BLKQETKVVCGNMD-INIZCTEOSA-N 1 0 382.302 2.764 20 0 GFADRO CSc1nc(C(C)(C)C)nc(C)c1C(=O)N1C[C@@H](SC)[C@H]([NH+](C)C)C1 ZINC000540124717 564240090 /nfs/dbraw/zinc/24/00/90/564240090.db2.gz NWSFHARBXHYHCU-CHWSQXEVSA-N 1 0 382.599 2.922 20 0 GFADRO CS(=O)(=O)N1CCC[C@@H]1C[NH2+][C@@H]1CCc2c1cc(Br)cc2F ZINC000540142713 564241044 /nfs/dbraw/zinc/24/10/44/564241044.db2.gz LYKPQWMOOQRHNP-IAQYHMDHSA-N 1 0 391.306 2.589 20 0 GFADRO CC1(C)CCC[N@H+](CCNC(=O)[C@@H]2Cc3cc(Br)ccc3O2)C1 ZINC000473223607 564242022 /nfs/dbraw/zinc/24/20/22/564242022.db2.gz XMLQDYSXWGSFPI-INIZCTEOSA-N 1 0 381.314 2.991 20 0 GFADRO CO[C@H](c1ccc(Br)cc1)[C@H](C)[NH2+][C@H]1CCCS(=O)(=O)C1 ZINC000540398763 564246606 /nfs/dbraw/zinc/24/66/06/564246606.db2.gz TYEOKMNVKRFWEO-CQDKDKBSSA-N 1 0 376.316 2.692 20 0 GFADRO CNS(=O)(=O)CCC[NH2+][C@H](c1ccc(Br)cc1)C1CCC1 ZINC000540375695 564246628 /nfs/dbraw/zinc/24/66/28/564246628.db2.gz IMGUUYCVNFBDEL-HNNXBMFYSA-N 1 0 375.332 2.819 20 0 GFADRO Cc1ccc(CC(=O)N2CCC(OCC[NH+](C)C)CC2)cc1Br ZINC000473528611 564248633 /nfs/dbraw/zinc/24/86/33/564248633.db2.gz VISRSKPSZNXGNO-UHFFFAOYSA-N 1 0 383.330 2.869 20 0 GFADRO C[C@@]1(C(=O)NCC2(c3cccc(Br)c3)CCOCC2)CCC[NH2+]1 ZINC000564832877 564251729 /nfs/dbraw/zinc/25/17/29/564251729.db2.gz BTENGKKXPBBGTA-KRWDZBQOSA-N 1 0 381.314 2.756 20 0 GFADRO CS(=O)(=O)CC1(C[NH2+]C[C@H](O)COc2cc(Cl)ccc2Cl)CCC1 ZINC000564859538 564253698 /nfs/dbraw/zinc/25/36/98/564253698.db2.gz YWENLVDKHUCNRN-ZDUSSCGKSA-N 1 0 396.336 2.538 20 0 GFADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C)C1 ZINC000508155190 564256391 /nfs/dbraw/zinc/25/63/91/564256391.db2.gz SNMOAISFSZQPRV-GFCCVEGCSA-N 1 0 381.322 2.741 20 0 GFADRO Cc1ccc(Br)cc1CC(=O)N1CCC([N@@H+](C)C[C@H](C)O)CC1 ZINC000450958265 564257579 /nfs/dbraw/zinc/25/75/79/564257579.db2.gz IYHIPTXXSLTUCZ-AWEZNQCLSA-N 1 0 383.330 2.604 20 0 GFADRO O=C(CNC(=O)c1ccc(Br)cc1)NCCCCC[NH+]1CCCC1 ZINC000508209342 564257876 /nfs/dbraw/zinc/25/78/76/564257876.db2.gz BSPDBCCJNNIWJC-UHFFFAOYSA-N 1 0 396.329 2.561 20 0 GFADRO Cc1cc(COc2ccc(C(=O)NCC3([NH3+])CCC3)cc2Br)on1 ZINC000564931297 564258286 /nfs/dbraw/zinc/25/82/86/564258286.db2.gz DXHWSNZIMVVBRZ-UHFFFAOYSA-N 1 0 394.269 2.936 20 0 GFADRO [NH3+]C[C@@H]1c2ccccc2CCN1S(=O)(=O)c1cc(Br)ccc1F ZINC000564963189 564260250 /nfs/dbraw/zinc/26/02/50/564260250.db2.gz JKIHPTJSRHRCKE-OAHLLOKOSA-N 1 0 399.285 2.835 20 0 GFADRO Brc1cc2c(c(C[NH2+][C@@H]3CCC[C@H]3[C@@H]3COCCN3)c1)OCC2 ZINC000564988723 564261345 /nfs/dbraw/zinc/26/13/45/564261345.db2.gz OQAGSEPXIYSITN-ZACQAIPSSA-N 1 0 381.314 2.631 20 0 GFADRO C[N@@H+]1CCN(CCNC(=O)[C@@H]2C[C@@H]2c2cccc(Br)c2)CC1(C)C ZINC000508349935 564261589 /nfs/dbraw/zinc/26/15/89/564261589.db2.gz ZNDWBEKXJUHBBV-IAGOWNOFSA-N 1 0 394.357 2.695 20 0 GFADRO C[NH+](C)C1(CNC(=O)c2cc(=O)[nH]c3ccc(Br)cc32)CCC1 ZINC000474099928 564265000 /nfs/dbraw/zinc/26/50/00/564265000.db2.gz SVVCRODHEDEBNF-UHFFFAOYSA-N 1 0 378.270 2.917 20 0 GFADRO COC(=O)C[C@H]1COCCN1CCCC(=O)c1ccc(Br)cc1 ZINC000451031400 564265370 /nfs/dbraw/zinc/26/53/70/564265370.db2.gz PYFHBOMAGWMGSW-HNNXBMFYSA-N 1 0 384.270 2.676 20 0 GFADRO C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+]1CCOCC2(CC2)C1 ZINC000541127707 564266873 /nfs/dbraw/zinc/26/68/73/564266873.db2.gz OBIAFDFNXFZPQM-CQSZACIVSA-N 1 0 381.314 2.908 20 0 GFADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)c1cccc(F)c1Br ZINC000508626762 564268823 /nfs/dbraw/zinc/26/88/23/564268823.db2.gz YVYZASXPYILZAY-GFCCVEGCSA-N 1 0 385.277 2.914 20 0 GFADRO O=C1NCC[C@H]1CC[N@H+]1CC[C@H](Cc2cccc(I)c2)C1 ZINC000565171391 564269481 /nfs/dbraw/zinc/26/94/81/564269481.db2.gz LSJZGOBJSDRSIX-CABCVRRESA-N 1 0 398.288 2.682 20 0 GFADRO O=C(c1ncsc1Br)N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000565184535 564269537 /nfs/dbraw/zinc/26/95/37/564269537.db2.gz AJTIZNRIVGMUHJ-LBPRGKRZSA-N 1 0 388.331 2.623 20 0 GFADRO C[NH+](C)CCn1ccc(C(=O)N[C@H]2CCc3c2cccc3Br)n1 ZINC000565182718 564269684 /nfs/dbraw/zinc/26/96/84/564269684.db2.gz RECNEDHFUUWOHK-HNNXBMFYSA-N 1 0 377.286 2.625 20 0 GFADRO Cc1cc(C)c(Br)c(C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)c1 ZINC000474212558 564270517 /nfs/dbraw/zinc/27/05/17/564270517.db2.gz DJOKJKNEDOUOSI-AWEZNQCLSA-N 1 0 383.330 2.983 20 0 GFADRO CC(C)OCC[NH+]1CCC(NS(=O)(=O)c2cccc(Cl)c2F)CC1 ZINC000474220354 564270738 /nfs/dbraw/zinc/27/07/38/564270738.db2.gz NRBODQMVOXSBAN-UHFFFAOYSA-N 1 0 378.897 2.647 20 0 GFADRO COc1ccc(C[NH2+]CCc2cccc(C(N)=O)c2)c(Br)c1O ZINC000508741476 564271489 /nfs/dbraw/zinc/27/14/89/564271489.db2.gz XAUBKEYNIXLQAI-UHFFFAOYSA-N 1 0 379.254 2.595 20 0 GFADRO O=S(=O)(CC[NH2+]C1(CCO)CCCCC1)c1cccc(Br)c1 ZINC000474272714 564272614 /nfs/dbraw/zinc/27/26/14/564272614.db2.gz JEEAFWFMAFUPTA-UHFFFAOYSA-N 1 0 390.343 2.898 20 0 GFADRO CC[NH+](CC)[C@@H](CNS(=O)(=O)N1CCC1)c1ccc(C(F)(F)F)cc1 ZINC000508875819 564275038 /nfs/dbraw/zinc/27/50/38/564275038.db2.gz SNHCWPQONDOMIO-HNNXBMFYSA-N 1 0 379.448 2.628 20 0 GFADRO C[N@@H+]1CCN(C(=O)CNC(=O)c2sc3ccccc3c2Cl)C(C)(C)C1 ZINC000474354063 564275318 /nfs/dbraw/zinc/27/53/18/564275318.db2.gz NMMNYPWHPZDBKP-UHFFFAOYSA-N 1 0 379.913 2.837 20 0 GFADRO C[C@@H](CC[NH2+]Cc1ccc(Br)cc1N1CCOCC1)[S@@](C)=O ZINC000474356649 564276077 /nfs/dbraw/zinc/27/60/77/564276077.db2.gz RHXAOQLSKFVYFL-WHEQGISXSA-N 1 0 389.359 2.532 20 0 GFADRO CCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cc(C)ccc1Br ZINC000508939314 564276848 /nfs/dbraw/zinc/27/68/48/564276848.db2.gz ACUPSAXFPFYWKH-ZDUSSCGKSA-N 1 0 382.302 2.687 20 0 GFADRO C[C@@H]1C[C@H](NS(=O)(=O)c2ccc(Cl)cc2Br)CC[N@@H+]1C ZINC000541387677 564278119 /nfs/dbraw/zinc/27/81/19/564278119.db2.gz ZLMNWWGAFLFREM-MWLCHTKSSA-N 1 0 381.723 2.864 20 0 GFADRO C[NH+](C)[C@]1(CNC(=O)N[C@@H](CO)c2c(Cl)cccc2Cl)CCSC1 ZINC000474492852 564279718 /nfs/dbraw/zinc/27/97/18/564279718.db2.gz HEIKQTWEBZGAPY-BBRMVZONSA-N 1 0 392.352 2.763 20 0 GFADRO CC[N@H+](CCC(=O)NC(N)=O)[C@@H]1CCSc2ccc(Br)cc21 ZINC000509056699 564280097 /nfs/dbraw/zinc/28/00/97/564280097.db2.gz PAVBXEZBVRXOJR-GFCCVEGCSA-N 1 0 386.315 2.893 20 0 GFADRO C[C@H](Cn1cncn1)[NH2+][C@@H](C)CCc1ccc(I)cc1 ZINC000474622414 564283213 /nfs/dbraw/zinc/28/32/13/564283213.db2.gz LUFJEYNOTSRIFT-QWHCGFSZSA-N 1 0 384.265 2.882 20 0 GFADRO Cc1cccc(I)c1C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000474635311 564284149 /nfs/dbraw/zinc/28/41/49/564284149.db2.gz OOOJZJDNUAKHPV-ZIAGYGMSSA-N 1 0 384.261 2.956 20 0 GFADRO Cn1ncc2c1CCC[N@H+](CCC(=O)Nc1ccc(Br)cc1)C2 ZINC000565585143 564287013 /nfs/dbraw/zinc/28/70/13/564287013.db2.gz MLTUMEZPFCWKHZ-UHFFFAOYSA-N 1 0 377.286 2.960 20 0 GFADRO CCS(=O)(=O)N1CCC(C[NH2+]Cc2cc(C)ccc2OC(F)F)CC1 ZINC000541786153 564288815 /nfs/dbraw/zinc/28/88/15/564288815.db2.gz BOPSFOMVQLDDTD-UHFFFAOYSA-N 1 0 376.469 2.748 20 0 GFADRO CC(=O)N1CC[C@@H]([NH2+][C@H](C)CCc2ccc(I)cc2)C1 ZINC000474797894 564289570 /nfs/dbraw/zinc/28/95/70/564289570.db2.gz AWBKFEXGIRKAKG-MLGOLLRUSA-N 1 0 386.277 2.823 20 0 GFADRO C[C@@H](C1CC[NH+](C)CC1)N(C)S(=O)(=O)c1ccc(F)c(Br)c1 ZINC000541817260 564289844 /nfs/dbraw/zinc/28/98/44/564289844.db2.gz OGMGCYLCJVXZPZ-NSHDSACASA-N 1 0 393.322 2.939 20 0 GFADRO CS[C@H](CO)[C@@H](C)[NH2+]Cc1c(F)ccc(I)c1F ZINC000474815611 564290399 /nfs/dbraw/zinc/29/03/99/564290399.db2.gz JIHDMLZIWFCMSG-RDDDGLTNSA-N 1 0 387.233 2.771 20 0 GFADRO CC(C)C(=O)NCCC[NH2+]Cc1c(F)ccc(I)c1F ZINC000474868473 564292027 /nfs/dbraw/zinc/29/20/27/564292027.db2.gz LQZOLZPOBCOAOH-UHFFFAOYSA-N 1 0 396.219 2.821 20 0 GFADRO CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000565705502 564292204 /nfs/dbraw/zinc/29/22/04/564292204.db2.gz PYUCUBPQCQXAFB-CSFVBSKPSA-N 1 0 396.329 2.919 20 0 GFADRO O=C(NCCNc1cccc(Br)c1)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000541846146 564292586 /nfs/dbraw/zinc/29/25/86/564292586.db2.gz JLCLLRQLFJVQBJ-HZPDHXFCSA-N 1 0 381.318 2.787 20 0 GFADRO CN(CC[N@H+](C)CCc1ccccc1Cl)c1ccc(S(N)(=O)=O)cc1 ZINC000451266731 564292878 /nfs/dbraw/zinc/29/28/78/564292878.db2.gz GRWAMSFBXKCQGH-UHFFFAOYSA-N 1 0 381.929 2.598 20 0 GFADRO C[NH+](C)CCCOC1CCN(S(=O)(=O)Cc2c(F)cccc2Cl)CC1 ZINC000451282013 564295634 /nfs/dbraw/zinc/29/56/34/564295634.db2.gz CRBUTWLRJPFSSV-UHFFFAOYSA-N 1 0 392.924 2.742 20 0 GFADRO COc1ccccc1[C@H](CO)[NH2+]C[C@H](O)COc1ccc(Br)cc1 ZINC000541985495 564297685 /nfs/dbraw/zinc/29/76/85/564297685.db2.gz YZSBVENUTNZZEQ-YOEHRIQHSA-N 1 0 396.281 2.521 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000565822095 564297810 /nfs/dbraw/zinc/29/78/10/564297810.db2.gz XIBIFVLJTYBFKD-SFHVURJKSA-N 1 0 394.313 2.552 20 0 GFADRO C[C@@H]1C[C@@H](C)C[NH+](CCSc2ccc(S(=O)(=O)N3CCCC3)cn2)C1 ZINC000565842217 564298800 /nfs/dbraw/zinc/29/88/00/564298800.db2.gz DPBMFTHYPIJTEA-HZPDHXFCSA-N 1 0 383.583 2.936 20 0 GFADRO Cn1c2cc(Br)ccc2nc1C[N@@H+]1C[C@H](O)C[C@@H]1[C@@H]1CCCOC1 ZINC000451308423 564299139 /nfs/dbraw/zinc/29/91/39/564299139.db2.gz VOGWEGWGDZIERD-XNRPHZJLSA-N 1 0 394.313 2.698 20 0 GFADRO CS[C@@H]1CC[N@H+](CC(=O)N2CCN(Cc3c(F)cccc3Cl)CC2)C1 ZINC000451319808 564299844 /nfs/dbraw/zinc/29/98/44/564299844.db2.gz IWJZHFGZIUVXGW-CQSZACIVSA-N 1 0 385.936 2.561 20 0 GFADRO C[C@H]([NH2+]CCC(=O)Nc1cccc(Cl)c1)c1cccc(S(N)(=O)=O)c1 ZINC000542134712 564302512 /nfs/dbraw/zinc/30/25/12/564302512.db2.gz NBTLNDZKCAIWOG-LBPRGKRZSA-N 1 0 381.885 2.667 20 0 GFADRO C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+][C@@H]1CCCS(=O)(=O)C1 ZINC000542137881 564302530 /nfs/dbraw/zinc/30/25/30/564302530.db2.gz IATXCHFHDYPIIO-NWDGAFQWSA-N 1 0 378.416 2.589 20 0 GFADRO O=S(=O)(c1sccc1Cl)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000451386291 564307403 /nfs/dbraw/zinc/30/74/03/564307403.db2.gz VYHLGPOLBYBSKC-UHFFFAOYSA-N 1 0 392.974 2.915 20 0 GFADRO C[C@]1([NH2+]CCS(=O)(=O)c2ccc(Br)cc2)CCO[C@H]1C1CC1 ZINC000542307853 564309733 /nfs/dbraw/zinc/30/97/33/564309733.db2.gz XZKCSWGKNNBIHW-HOTGVXAUSA-N 1 0 388.327 2.770 20 0 GFADRO COc1ccc(C[NH2+]C[C@@H](O)COc2cc(F)cc(Br)c2)cn1 ZINC000566107016 564309782 /nfs/dbraw/zinc/30/97/82/564309782.db2.gz DFRLZVVMDCINFJ-CQSZACIVSA-N 1 0 385.233 2.521 20 0 GFADRO CCN(CC)S(=O)(=O)c1ccc(CNC(=O)[C@@H](C)[NH2+]C(C)(C)CC)s1 ZINC000475487231 564309818 /nfs/dbraw/zinc/30/98/18/564309818.db2.gz NEGMWRADSYXSIH-CYBMUJFWSA-N 1 0 389.587 2.562 20 0 GFADRO O[C@H](COc1ccc(Br)cc1)C[N@@H+]1CCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000451410430 564310362 /nfs/dbraw/zinc/31/03/62/564310362.db2.gz SMZUSPPBNZUNNF-DZJNRPSUSA-N 1 0 384.314 2.814 20 0 GFADRO CO[C@@H](C[NH2+]C[C@H](O)COc1ccc(Cl)cc1Br)C1CC1 ZINC000566121227 564310540 /nfs/dbraw/zinc/31/05/40/564310540.db2.gz ATHQWTSNSWHJFY-WFASDCNBSA-N 1 0 378.694 2.857 20 0 GFADRO O[C@H](C[NH2+][C@@H]1CCC[C@H]2OCC[C@@H]21)COc1cc(F)cc(Br)c1 ZINC000566114464 564310841 /nfs/dbraw/zinc/31/08/41/564310841.db2.gz IDRMBZKPVNECFL-MWQQHZPXSA-N 1 0 388.277 2.875 20 0 GFADRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)C(=O)Nc1cc(Br)ccc1F ZINC000509738829 564311226 /nfs/dbraw/zinc/31/12/26/564311226.db2.gz RPPLPOQGXFKKNR-ABAIWWIYSA-N 1 0 398.276 2.612 20 0 GFADRO COc1ccc(Br)cc1CNC(=O)[C@]1([NH3+])[C@@H]2CCCO[C@@H]2C1(C)C ZINC000566170475 564313828 /nfs/dbraw/zinc/31/38/28/564313828.db2.gz FTTBFORUYAIDNQ-QIIPPGSGSA-N 1 0 397.313 2.606 20 0 GFADRO COc1cc(OC)c(S(=O)(=O)NCC2([NH3+])CCCCCC2)cc1Cl ZINC000566216765 564316948 /nfs/dbraw/zinc/31/69/48/564316948.db2.gz XTZRIPAFQHKBAD-UHFFFAOYSA-N 1 0 376.906 2.687 20 0 GFADRO CN(C1CC([NH3+])C1)S(=O)(=O)c1ccc(Br)c(Cl)c1Cl ZINC000566224325 564317974 /nfs/dbraw/zinc/31/79/74/564317974.db2.gz LMDQXDDJUVEVAV-UHFFFAOYSA-N 1 0 388.114 2.866 20 0 GFADRO Cc1cc(S(=O)(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)sc1Br ZINC000566224361 564317978 /nfs/dbraw/zinc/31/79/78/564317978.db2.gz LKNJFLRFMAKWOL-NWDGAFQWSA-N 1 0 393.372 2.829 20 0 GFADRO CCOCCOc1ccc(Br)cc1CN1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000566230181 564318268 /nfs/dbraw/zinc/31/82/68/564318268.db2.gz PHNFYAWGJLZRQS-HOCLYGCPSA-N 1 0 383.330 2.906 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)NC(C)(C)COc2ncccc2Br)CC[N@@H+]1C ZINC000542748822 564323960 /nfs/dbraw/zinc/32/39/60/564323960.db2.gz UPPWYIWPWHRBPO-CHWSQXEVSA-N 1 0 399.333 2.783 20 0 GFADRO CC[NH+]1CCC(NC(=O)CN2CC[C@@H](c3cccc(Br)c3)C2)CC1 ZINC000451567103 564326593 /nfs/dbraw/zinc/32/65/93/564326593.db2.gz KOZSKJSBSVLLGG-MRXNPFEDSA-N 1 0 394.357 2.839 20 0 GFADRO O=C1NCC[C@@H]1CC[NH2+][C@@H](CO)c1ccc(Br)cc1C(F)(F)F ZINC000566417639 564326792 /nfs/dbraw/zinc/32/67/92/564326792.db2.gz SFEOMTQTEIKNKI-ZANVPECISA-N 1 0 395.219 2.617 20 0 GFADRO COC(=O)[C@H](NC(=O)C[N@@H+]1CCC(C)(C)C1)c1ccc(Br)cc1 ZINC000566435082 564327766 /nfs/dbraw/zinc/32/77/66/564327766.db2.gz DUXPYYPBNOANDA-OAHLLOKOSA-N 1 0 383.286 2.511 20 0 GFADRO CC1(C)CC[N@H+](CC(=O)N[C@@H]2CCO[C@H]2c2cncc(Br)c2)C1 ZINC000566465846 564328463 /nfs/dbraw/zinc/32/84/63/564328463.db2.gz MBPARTSBKKFUBC-ZBFHGGJFSA-N 1 0 382.302 2.522 20 0 GFADRO CC[NH+](CC)CCS(=O)(=O)N1CCc2c(F)ccc(Br)c2C1 ZINC000451596311 564329104 /nfs/dbraw/zinc/32/91/04/564329104.db2.gz YERIVQLNEZXHSL-UHFFFAOYSA-N 1 0 393.322 2.618 20 0 GFADRO CCC[N@@H+]1CC[C@H](CNC(=O)N[C@@H](CCO)c2ccccc2Br)C1 ZINC000542893092 564330642 /nfs/dbraw/zinc/33/06/42/564330642.db2.gz GBJLDXVIHPJKQJ-PBHICJAKSA-N 1 0 398.345 2.904 20 0 GFADRO C[C@H](CNC(=O)N[C@@H](CCO)c1ccccc1Br)C[NH+]1CCCC1 ZINC000542892811 564330689 /nfs/dbraw/zinc/33/06/89/564330689.db2.gz CCIIMGKRYJTRAP-PBHICJAKSA-N 1 0 398.345 2.904 20 0 GFADRO CO[C@@H]1CCC[C@H]1[NH2+][C@@H](C)C(=O)Nc1cccc(I)c1 ZINC000451622028 564331921 /nfs/dbraw/zinc/33/19/21/564331921.db2.gz BQKYFYNZJRETQH-ZLKJLUDKSA-N 1 0 388.249 2.775 20 0 GFADRO CCS(=O)(=O)NCCC[N@@H+]1CCC[C@@H](Cc2cc(Cl)ccc2OC)C1 ZINC000510389642 564332052 /nfs/dbraw/zinc/33/20/52/564332052.db2.gz OETLSPVWOBGAND-HNNXBMFYSA-N 1 0 388.961 2.933 20 0 GFADRO CO[C@@H]1CCC[C@H]1[NH2+]Cc1nnnn1-c1ccc(Cl)cc1C(F)(F)F ZINC000451624643 564333164 /nfs/dbraw/zinc/33/31/64/564333164.db2.gz RSTJSBPHPLXJCZ-DGCLKSJQSA-N 1 0 375.782 2.992 20 0 GFADRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1S(=O)(=O)c1cccc(Br)c1F ZINC000510486421 564335733 /nfs/dbraw/zinc/33/57/33/564335733.db2.gz ZKNDAKLFHOGRLP-NWDGAFQWSA-N 1 0 391.306 2.836 20 0 GFADRO C[C@@H]1CN(Cc2nnc(-c3ccc(Cl)cc3Cl)o2)C[C@H](C)[N@H+]1CCO ZINC000451654402 564336366 /nfs/dbraw/zinc/33/63/66/564336366.db2.gz ONDVKYBKTFJZQG-TXEJJXNPSA-N 1 0 385.295 2.930 20 0 GFADRO O=C(N[C@@H]1COc2c1ccc(Cl)c2Cl)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000566672582 564337126 /nfs/dbraw/zinc/33/71/26/564337126.db2.gz LHEUGERNKUGBMW-BXUZGUMPSA-N 1 0 381.263 2.978 20 0 GFADRO CCN(Cc1ccc(Cl)s1)C(=O)C(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000566700052 564339130 /nfs/dbraw/zinc/33/91/30/564339130.db2.gz SAIJEWZNFUEXLN-UHFFFAOYSA-N 1 0 385.961 2.988 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)N[C@@H](Cc2cccc(Br)c2)CC2CC2)CCO1 ZINC000566727837 564340256 /nfs/dbraw/zinc/34/02/56/564340256.db2.gz KTSMTCFALTXZFG-SJORKVTESA-N 1 0 396.329 2.529 20 0 GFADRO CCSc1cccc(Br)c1NC(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC000566767929 564342001 /nfs/dbraw/zinc/34/20/01/564342001.db2.gz UCVDAIYYBZEOJS-OAHLLOKOSA-N 1 0 388.331 2.749 20 0 GFADRO CCc1n[nH]c(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)c1Br ZINC000566771910 564342281 /nfs/dbraw/zinc/34/22/81/564342281.db2.gz PMWQQDXDYVXTAP-BBRMVZONSA-N 1 0 377.286 2.910 20 0 GFADRO C[C@H](NS(=O)(=O)CC[NH+]1CCCC1)c1ccc(Br)cc1F ZINC000510684887 564343830 /nfs/dbraw/zinc/34/38/30/564343830.db2.gz UGSXUTKNHKQEOO-NSHDSACASA-N 1 0 379.295 2.664 20 0 GFADRO COC(=O)[C@@H](C)C[N@H+](CC(=O)NCCc1cccc(Cl)c1Cl)C1CC1 ZINC000476608456 564347958 /nfs/dbraw/zinc/34/79/58/564347958.db2.gz TXDSHCYRXDWGPZ-LBPRGKRZSA-N 1 0 387.307 2.926 20 0 GFADRO CCC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1cc(C)ccc1Br ZINC000510963815 564351984 /nfs/dbraw/zinc/35/19/84/564351984.db2.gz BXZLFXXSNXFVFF-ZDUSSCGKSA-N 1 0 375.332 2.910 20 0 GFADRO COCC[C@@H]1CCC[C@H]1[NH2+]CCNS(=O)(=O)c1ccc(F)cc1Cl ZINC000511013231 564353912 /nfs/dbraw/zinc/35/39/12/564353912.db2.gz HYIWXJWFKIJVSZ-SWLSCSKDSA-N 1 0 378.897 2.552 20 0 GFADRO C[C@H]([NH2+][C@H]1COCC1(C)C)C(=O)Nc1ccc(I)cc1 ZINC000451808582 564354145 /nfs/dbraw/zinc/35/41/45/564354145.db2.gz KHCYWPQODLLQFI-GWCFXTLKSA-N 1 0 388.249 2.633 20 0 GFADRO C[C@H](O)C[N@@H+]1CCN(C(=O)CCOc2ccc(Cl)cc2Cl)[C@H](C)C1 ZINC000476854744 564355400 /nfs/dbraw/zinc/35/54/00/564355400.db2.gz SPGUOCGFXOVYFD-OLZOCXBDSA-N 1 0 375.296 2.676 20 0 GFADRO C[C@H](O)C[N@@H+]1CCN(C(=O)CCCOc2cccc(Br)c2)[C@@H](C)C1 ZINC000476850993 564355584 /nfs/dbraw/zinc/35/55/84/564355584.db2.gz RTTMTEYLIROYKF-GJZGRUSLSA-N 1 0 399.329 2.522 20 0 GFADRO CN(C)S(=O)(=O)[C@H]1CCCN(Cc2ccc(Br)c(Cl)c2)C1 ZINC000511111410 564357728 /nfs/dbraw/zinc/35/77/28/564357728.db2.gz YNEGERSXOCFMDP-LBPRGKRZSA-N 1 0 395.750 2.958 20 0 GFADRO CN(C)S(=O)(=O)[C@@H]1CCCN(CCOc2cc(Cl)ccc2Cl)C1 ZINC000511110073 564358033 /nfs/dbraw/zinc/35/80/33/564358033.db2.gz UHXZRKZXGSUINN-CYBMUJFWSA-N 1 0 381.325 2.728 20 0 GFADRO C[C@H](CCC[NH3+])NC(=O)c1cccn1-c1cccc(I)c1 ZINC000567109992 564358067 /nfs/dbraw/zinc/35/80/67/564358067.db2.gz LDLXDUGYZXCITE-GFCCVEGCSA-N 1 0 397.260 2.939 20 0 GFADRO CC[C@H](Cc1cccc(Br)c1)C(=O)NC[C@@]1(O)C[NH+]2CCC1CC2 ZINC000567122483 564358305 /nfs/dbraw/zinc/35/83/05/564358305.db2.gz ILTDTEVEBRXQFB-DNVCBOLYSA-N 1 0 395.341 2.591 20 0 GFADRO CN(C)CC[N@H+](C)CCCN(C)C(=O)CCc1ccccc1Br ZINC000567144676 564359318 /nfs/dbraw/zinc/35/93/18/564359318.db2.gz YRPBUGBOCXPCDT-UHFFFAOYSA-N 1 0 384.362 2.724 20 0 GFADRO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000567255924 564364164 /nfs/dbraw/zinc/36/41/64/564364164.db2.gz UIJUKAJFIFSBRP-UHFFFAOYSA-N 1 0 384.307 2.695 20 0 GFADRO COc1ccc(Cl)c(S(=O)(=O)N2C[C@@H](SC)[C@H]([NH+]3CCCC3)C2)c1 ZINC000477136646 564366455 /nfs/dbraw/zinc/36/64/55/564366455.db2.gz LXRCHNPKDNSLOM-HUUCEWRRSA-N 1 0 390.958 2.549 20 0 GFADRO Cc1nn(Cc2cccc(Br)c2)c(C)c1C(=O)N[C@H](C)CC[NH3+] ZINC000477157835 564366998 /nfs/dbraw/zinc/36/69/98/564366998.db2.gz BRVLOMPCCFIHJC-LLVKDONJSA-N 1 0 379.302 2.778 20 0 GFADRO CCN1CCN(S(=O)(=O)c2ccc(Br)cc2Cl)[C@H](C)C1 ZINC000511317509 564367452 /nfs/dbraw/zinc/36/74/52/564367452.db2.gz WLDCGVFEQOPLMA-SNVBAGLBSA-N 1 0 381.723 2.817 20 0 GFADRO COC[C@]1(CO)CC[N@@H+]([C@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)C1 ZINC000451921380 564367490 /nfs/dbraw/zinc/36/74/90/564367490.db2.gz BUTKPZNOMATMQY-VEVIJQCQSA-N 1 0 389.323 2.890 20 0 GFADRO COC[C@@]1(CO)CC[N@H+](CC(=O)N[C@H](C)c2ccc(Cl)cc2Cl)C1 ZINC000451933154 564369405 /nfs/dbraw/zinc/36/94/05/564369405.db2.gz UILNDGPRMJEUAY-PXAZEXFGSA-N 1 0 375.296 2.501 20 0 GFADRO CCOC(=O)COc1c(Br)cc(C)cc1C[NH2+][C@H](C)C[C@H](C)O ZINC000544031476 564371281 /nfs/dbraw/zinc/37/12/81/564371281.db2.gz IVYNGDZTWIWMPZ-OLZOCXBDSA-N 1 0 388.302 2.948 20 0 GFADRO CC[C@H](Cc1ccccc1Br)[NH2+]C1CCN(CC(=O)OC)CC1 ZINC000544025943 564371875 /nfs/dbraw/zinc/37/18/75/564371875.db2.gz CRSRAIXMIPZJBY-OAHLLOKOSA-N 1 0 383.330 2.997 20 0 GFADRO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)C(=O)c1ccc(Br)cc1 ZINC000511532168 564375441 /nfs/dbraw/zinc/37/54/41/564375441.db2.gz CILFWDQLPNDNCT-KRWDZBQOSA-N 1 0 389.293 2.921 20 0 GFADRO C[C@](CO)([NH2+]CC(=O)NCC1CCCCC1)c1ccc(Br)cc1 ZINC000511604876 564377389 /nfs/dbraw/zinc/37/73/89/564377389.db2.gz NZEGJCYAMLQBMS-GOSISDBHSA-N 1 0 383.330 2.943 20 0 GFADRO Cc1ccc(CNC(=O)C[NH2+][C@@](C)(CO)c2ccc(Br)cc2)cc1 ZINC000511603637 564377459 /nfs/dbraw/zinc/37/74/59/564377459.db2.gz BRVTXOFEDFZTJG-IBGZPJMESA-N 1 0 391.309 2.871 20 0 GFADRO O=C(CC[N@@H+]1CC[C@H](C(F)(F)F)[C@H](CO)C1)N1CCc2sccc2C1 ZINC000511632942 564378223 /nfs/dbraw/zinc/37/82/23/564378223.db2.gz YNHXCENKFIYLRD-KBPBESRZSA-N 1 0 376.444 2.516 20 0 GFADRO COCC[NH+]1CCC(NC(=O)[C@H]2CCc3cc(Br)ccc32)CC1 ZINC000567591079 564378777 /nfs/dbraw/zinc/37/87/77/564378777.db2.gz LGACLJPBKZQXCM-KRWDZBQOSA-N 1 0 381.314 2.706 20 0 GFADRO C[C@@H]1C[C@H]([NH2+]CC(=O)Nc2ccc(I)cc2)C[C@H](C)O1 ZINC000567681024 564381990 /nfs/dbraw/zinc/38/19/90/564381990.db2.gz BENVTEWMHOMXGO-YABSGUDNSA-N 1 0 388.249 2.775 20 0 GFADRO CS(=O)(=O)CC1(C[NH2+]C[C@H](O)COc2c(Cl)cccc2Cl)CCC1 ZINC000567694559 564382928 /nfs/dbraw/zinc/38/29/28/564382928.db2.gz WMQNCGQFSSAROZ-LBPRGKRZSA-N 1 0 396.336 2.538 20 0 GFADRO Cc1ccc(I)cc1C(=O)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000477778753 564387331 /nfs/dbraw/zinc/38/73/31/564387331.db2.gz INTLYOZDHLDGFX-NHYWBVRUSA-N 1 0 384.261 2.812 20 0 GFADRO CC[NH+](CC)CC[C@@H](CO)NC(=O)c1cc(Cl)cc(Br)c1 ZINC000567751113 564387310 /nfs/dbraw/zinc/38/73/10/564387310.db2.gz RNSVZRZIYASYJF-AWEZNQCLSA-N 1 0 377.710 2.925 20 0 GFADRO Cc1cc(S(=O)(=O)N(C)CCC[NH+]2CCCC2)sc1Br ZINC000544599634 564389831 /nfs/dbraw/zinc/38/98/31/564389831.db2.gz XVUUGLFILKRZEG-UHFFFAOYSA-N 1 0 381.361 2.925 20 0 GFADRO C[NH2+][C@@H](C(=O)N1CCC(c2cccc(Br)c2)CC1)c1cnn(C)c1 ZINC000567826496 564390853 /nfs/dbraw/zinc/39/08/53/564390853.db2.gz CSXGZFNHZDXRAC-QGZVFWFLSA-N 1 0 391.313 2.849 20 0 GFADRO C[C@H]([NH3+])C[C@H](C)NC(=O)NCC1(c2cccc(Br)c2)CCOCC1 ZINC000567819316 564390923 /nfs/dbraw/zinc/39/09/23/564390923.db2.gz FLDYLFBFMDZVGC-KBPBESRZSA-N 1 0 398.345 2.922 20 0 GFADRO O=C(CC[C@H]1CC[NH2+]C1)N1CCN(Cc2cc(Br)ccc2F)CC1 ZINC000567823152 564391063 /nfs/dbraw/zinc/39/10/63/564391063.db2.gz KKWWKHHHBDNVNZ-AWEZNQCLSA-N 1 0 398.320 2.622 20 0 GFADRO C[C@@H](CNCc1ncc(I)s1)[NH+]1CCC(C)CC1 ZINC000512097665 564391275 /nfs/dbraw/zinc/39/12/75/564391275.db2.gz FQLAAUBPBCRFMQ-NSHDSACASA-N 1 0 379.311 2.958 20 0 GFADRO C[C@@H](C(=O)N1C[C@H](C[NH3+])C2(C1)CCOCC2)c1ccc(Br)s1 ZINC000567846724 564392015 /nfs/dbraw/zinc/39/20/15/564392015.db2.gz OAHYNGCCSLPBLN-NEPJUHHUSA-N 1 0 387.343 2.828 20 0 GFADRO C[C@]1(CNC(=O)[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)CCC[NH2+]C1 ZINC000567839274 564392117 /nfs/dbraw/zinc/39/21/17/564392117.db2.gz DNNTYHOPFFSFJR-UGSOOPFHSA-N 1 0 384.307 2.852 20 0 GFADRO CC(C)C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)N[C@H](CC[NH3+])C(F)F ZINC000567849355 564392931 /nfs/dbraw/zinc/39/29/31/564392931.db2.gz WABOTQWEOVNEMW-ZIAGYGMSSA-N 1 0 375.847 2.583 20 0 GFADRO Cc1ccc(SCC(F)(F)F)c(NC(=O)N2CCN(C)C[C@@H]2C[NH3+])c1 ZINC000567865578 564393381 /nfs/dbraw/zinc/39/33/81/564393381.db2.gz ZQNLULIBHBGFAW-LBPRGKRZSA-N 1 0 376.448 2.756 20 0 GFADRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)Nc1cc(Br)cc(C(F)(F)F)c1 ZINC000567866988 564393977 /nfs/dbraw/zinc/39/39/77/564393977.db2.gz CMSZVDKCPOMENX-HTQZYQBOSA-N 1 0 396.207 2.648 20 0 GFADRO COc1cc(Br)cc(S(=O)(=O)N(C)[C@H]2CC[N@@H+](C(C)C)C2)c1 ZINC000452109405 564393994 /nfs/dbraw/zinc/39/39/94/564393994.db2.gz YEFYLNHVKVAXKF-ZDUSSCGKSA-N 1 0 391.331 2.561 20 0 GFADRO OCCC[C@H]1CC[N@H+](C[C@@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000452131765 564394728 /nfs/dbraw/zinc/39/47/28/564394728.db2.gz PNLXDKMUWYOEMJ-GXTWGEPZSA-N 1 0 392.721 2.937 20 0 GFADRO C[C@H]1CN(C(=O)COc2ccc(F)cc2Br)CC[N@@H+](C2CC2)C1 ZINC000452172576 564397643 /nfs/dbraw/zinc/39/76/43/564397643.db2.gz XSZWUCKLXOKTMZ-GFCCVEGCSA-N 1 0 385.277 2.910 20 0 GFADRO C[C@@H]1CN(C(=O)COc2ccc(Br)cc2F)CC[N@@H+](C2CC2)C1 ZINC000452168869 564397960 /nfs/dbraw/zinc/39/79/60/564397960.db2.gz FWDXBNULAIACNQ-LBPRGKRZSA-N 1 0 385.277 2.910 20 0 GFADRO O=C(N[C@H](CO)C[NH+]1CCCCC1)c1cc(F)c(Br)cc1Cl ZINC000512354336 564398994 /nfs/dbraw/zinc/39/89/94/564398994.db2.gz AVZOCJGOTQAKDC-JTQLQIEISA-N 1 0 393.684 2.818 20 0 GFADRO COCC[NH2+]C1CCN(CC(=O)N[C@H](C)c2ccc(Cl)cc2Cl)CC1 ZINC000568051691 564402253 /nfs/dbraw/zinc/40/22/53/564402253.db2.gz YZZPGGOHLYPPJV-CYBMUJFWSA-N 1 0 388.339 2.871 20 0 GFADRO O=C(C1CC[NH+]([C@@H]2CCSC2)CC1)N1CCN(Cc2ccsc2)CC1 ZINC000568046792 564402421 /nfs/dbraw/zinc/40/24/21/564402421.db2.gz INUKKWRDSKBBRL-GOSISDBHSA-N 1 0 379.595 2.610 20 0 GFADRO COCC[NH2+]C1CCN(C(=O)c2sc(C)c(Br)c2OC)CC1 ZINC000568150849 564405991 /nfs/dbraw/zinc/40/59/91/564405991.db2.gz XSFJZMQSNIMBHF-UHFFFAOYSA-N 1 0 391.331 2.668 20 0 GFADRO O=C(NC[C@H]1CCC[N@H+]1CCCO)c1cc(Cl)c(Br)cc1F ZINC000452345399 564407176 /nfs/dbraw/zinc/40/71/76/564407176.db2.gz RAQZKZJMLDQUSJ-SNVBAGLBSA-N 1 0 393.684 2.818 20 0 GFADRO Cc1ccc(CCC(=O)NC[C@H]2CCC[N@@H+]2CCCO)c(Br)c1 ZINC000452367653 564408805 /nfs/dbraw/zinc/40/88/05/564408805.db2.gz PWHGCHKGVYWEIY-MRXNPFEDSA-N 1 0 383.330 2.653 20 0 GFADRO CC1=CC[N@H+](CCNC(=O)c2cc(I)ccc2F)CC1 ZINC000545160871 564410067 /nfs/dbraw/zinc/41/00/67/564410067.db2.gz CIEYWTCJQVHGPY-UHFFFAOYSA-N 1 0 388.224 2.812 20 0 GFADRO C[C@@H](NC(=O)[C@H]1CCC(=O)N1Cc1ccc(Br)cc1)c1ncc[nH]1 ZINC000568234514 564410148 /nfs/dbraw/zinc/41/01/48/564410148.db2.gz RVMUBBDRBHRAOM-BXUZGUMPSA-N 1 0 391.269 2.541 20 0 GFADRO C[N@@H+]1CC[C@@](O)(CNC(=O)c2csc(-c3ccc(Cl)cc3Cl)n2)C1 ZINC000545155069 564410283 /nfs/dbraw/zinc/41/02/83/564410283.db2.gz FLADSDWPLFHDDH-MRXNPFEDSA-N 1 0 386.304 2.913 20 0 GFADRO Cc1ccc(I)cc1NC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC000478653837 564411072 /nfs/dbraw/zinc/41/10/72/564411072.db2.gz CHIQFWRBJUKZOS-LBPRGKRZSA-N 1 0 388.249 2.506 20 0 GFADRO CC[C@@H](Cc1cccc(Br)c1)C(=O)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000452386343 564411313 /nfs/dbraw/zinc/41/13/13/564411313.db2.gz WYAGFGAKAYWZIN-WMZOPIPTSA-N 1 0 397.357 2.981 20 0 GFADRO C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000452378736 564411599 /nfs/dbraw/zinc/41/15/99/564411599.db2.gz XOJXCOKDVZCWAN-STQMWFEESA-N 1 0 375.296 2.724 20 0 GFADRO C[C@H](CC(=O)N[C@H]1CCC[N@H+](CCCO)C1)c1ccc(Br)cc1 ZINC000452381103 564411669 /nfs/dbraw/zinc/41/16/69/564411669.db2.gz IQKJFTTZAUQXDV-PBHICJAKSA-N 1 0 383.330 2.906 20 0 GFADRO O=C(NC[C@H]1CCCC[N@H+]1CCO)c1ccc(Cl)c(Br)c1 ZINC000452382088 564411908 /nfs/dbraw/zinc/41/19/08/564411908.db2.gz XGJIZFXCKJQUKM-GFCCVEGCSA-N 1 0 375.694 2.679 20 0 GFADRO O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000568268740 564411907 /nfs/dbraw/zinc/41/19/07/564411907.db2.gz HZOJSKCMGJDNRN-QWHCGFSZSA-N 1 0 378.416 2.595 20 0 GFADRO O[C@@H](COc1cc(F)cc(Br)c1)C[N@@H+]1CC[C@@H](COC(F)F)C1 ZINC000512829118 564412435 /nfs/dbraw/zinc/41/24/35/564412435.db2.gz SUGWKPITKAWQLR-ZWNOBZJWSA-N 1 0 398.219 2.889 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)C2(c3cccc(Br)c3)CCCCC2)CCO1 ZINC000478715033 564412968 /nfs/dbraw/zinc/41/29/68/564412968.db2.gz HAXOBXLOQRSDOY-MRXNPFEDSA-N 1 0 381.314 2.837 20 0 GFADRO Cc1ccccc1C[NH+]1CCN(c2ncc(I)cn2)CC1 ZINC000545207523 564413420 /nfs/dbraw/zinc/41/34/20/564413420.db2.gz YUVFZDBLXLICLM-UHFFFAOYSA-N 1 0 394.260 2.712 20 0 GFADRO CS(=O)(=O)C1(C[NH2+]Cc2cccc(I)c2)CCCC1 ZINC000512993699 564416885 /nfs/dbraw/zinc/41/68/85/564416885.db2.gz URMUKJYGWXTKRE-UHFFFAOYSA-N 1 0 393.290 2.738 20 0 GFADRO Brc1cnn(CC[NH2+]Cc2ccc(OC[C@H]3CCCO3)cc2)c1 ZINC000512977375 564416960 /nfs/dbraw/zinc/41/69/60/564416960.db2.gz KSKVXOCIJSTUAM-QGZVFWFLSA-N 1 0 380.286 2.993 20 0 GFADRO Fc1cc(C[NH2+]C[C@H](N2CCOCC2)C(F)(F)F)ccc1Br ZINC000513022428 564417648 /nfs/dbraw/zinc/41/76/48/564417648.db2.gz UYFVALQWRJSZLD-ZDUSSCGKSA-N 1 0 385.199 2.941 20 0 GFADRO Fc1ccc(Br)c(C[NH2+]C[C@@H](N2CCOCC2)C(F)(F)F)c1 ZINC000513016797 564417711 /nfs/dbraw/zinc/41/77/11/564417711.db2.gz LTQQWONBCNTJJU-CYBMUJFWSA-N 1 0 385.199 2.941 20 0 GFADRO COCc1cccc(C[NH2+]CCNS(=O)(=O)c2ccc(Cl)cc2C)c1 ZINC000513002263 564417761 /nfs/dbraw/zinc/41/77/61/564417761.db2.gz WKQZVLVBVGOPRU-UHFFFAOYSA-N 1 0 382.913 2.863 20 0 GFADRO CCn1nc(C)c(C[NH2+]CCNS(=O)(=O)c2ccc(Cl)cc2C)c1C ZINC000513018183 564417836 /nfs/dbraw/zinc/41/78/36/564417836.db2.gz WRCBGOAVMBIUBC-UHFFFAOYSA-N 1 0 384.933 2.550 20 0 GFADRO CCc1nnc(NC(=O)[C@@H](C)[C@@H](C)[NH2+]Cc2cc(C(F)(F)F)n[nH]2)s1 ZINC000513094374 564420271 /nfs/dbraw/zinc/42/02/71/564420271.db2.gz ICBDRGLKIGUATF-JGVFFNPUSA-N 1 0 376.408 2.595 20 0 GFADRO C[C@@H]1CN(C(=O)[C@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)C[C@H](C)[N@H+]1C ZINC000513184461 564423887 /nfs/dbraw/zinc/42/38/87/564423887.db2.gz OCLLBLGDKMJDDF-MBNYWOFBSA-N 1 0 384.307 2.897 20 0 GFADRO CC(C)[C@](C)(NC(=O)NC[C@@H]1C[NH2+]CCCO1)c1ccc(Br)cc1 ZINC000568609450 564427047 /nfs/dbraw/zinc/42/70/47/564427047.db2.gz ZYIKCYRVMVEWJM-WMZOPIPTSA-N 1 0 398.345 2.998 20 0 GFADRO COC(=O)c1cn([C@@H]2CC[N@H+](CCCc3ccccc3Br)C2)nn1 ZINC000545521259 564427166 /nfs/dbraw/zinc/42/71/66/564427166.db2.gz QFTRQIKOZPXONB-CQSZACIVSA-N 1 0 393.285 2.707 20 0 GFADRO CC[NH+]1CCC(CCNC(=O)c2cn3ccc(Br)cc3n2)CC1 ZINC000513347145 564427636 /nfs/dbraw/zinc/42/76/36/564427636.db2.gz DXRUPFJESUZFTQ-UHFFFAOYSA-N 1 0 379.302 2.949 20 0 GFADRO CCc1ccc(-c2csc(NC(=O)CCNC(=O)[C@H]3CCC[NH2+]3)n2)s1 ZINC000568626797 564428121 /nfs/dbraw/zinc/42/81/21/564428121.db2.gz ZIENCHYOJLJNIB-GFCCVEGCSA-N 1 0 378.523 2.631 20 0 GFADRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)Cc1csc(-c2cccs2)n1 ZINC000513377817 564428288 /nfs/dbraw/zinc/42/82/88/564428288.db2.gz NPEHRPFBIJXRAS-OAHLLOKOSA-N 1 0 379.551 2.983 20 0 GFADRO C[C@H](NC(=O)C(=O)N(C)Cc1cccc(Br)c1)C(C)(C)C[NH+](C)C ZINC000513464438 564430208 /nfs/dbraw/zinc/43/02/08/564430208.db2.gz YCCJKTYAFHDINW-ZDUSSCGKSA-N 1 0 398.345 2.500 20 0 GFADRO CC(C)(C)[C@H](O)CN1CCCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000568691334 564430614 /nfs/dbraw/zinc/43/06/14/564430614.db2.gz ZGALLDYFTPDRKG-GFCCVEGCSA-N 1 0 380.963 2.505 20 0 GFADRO CC(=O)c1cc(Br)ccc1OCC(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000513484634 564431009 /nfs/dbraw/zinc/43/10/09/564431009.db2.gz LTJWCMLHZAODJP-SMDDNHRTSA-N 1 0 383.286 2.629 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S(=O)(=O)CC[NH2+]C[C@H]1CCC[C@@H]1C ZINC000568742309 564432153 /nfs/dbraw/zinc/43/21/53/564432153.db2.gz MPYKBJLFJOONQG-JKSUJKDBSA-N 1 0 387.567 2.670 20 0 GFADRO O=C(COc1c(Cl)cc(Cl)cc1Cl)NC[C@H]1CCCC[N@H+]1CCO ZINC000452802961 564432233 /nfs/dbraw/zinc/43/22/33/564432233.db2.gz WQCVSCQAUCIFPZ-GFCCVEGCSA-N 1 0 395.714 2.989 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2ccc(NC(C)=O)c(Cl)c2)C[C@@H]1C ZINC000479237358 564433041 /nfs/dbraw/zinc/43/30/41/564433041.db2.gz HEQSNHCSWGDLQL-GXTWGEPZSA-N 1 0 387.933 2.792 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)C(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000479284311 564434927 /nfs/dbraw/zinc/43/49/27/564434927.db2.gz IZDFTORRACJQKP-CYBMUJFWSA-N 1 0 396.329 2.798 20 0 GFADRO C[NH+](C)CCCOc1cnccc1CNS(=O)(=O)c1ccc(Cl)cc1 ZINC000568791761 564435462 /nfs/dbraw/zinc/43/54/62/564435462.db2.gz CUELGSSXONWLLL-UHFFFAOYSA-N 1 0 383.901 2.544 20 0 GFADRO COCC[C@@H](Cc1cccc(Br)c1)C(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000452982930 564440637 /nfs/dbraw/zinc/44/06/37/564440637.db2.gz BLGQBTNTMPIONO-XYJFISCASA-N 1 0 395.341 2.807 20 0 GFADRO Cc1cc(Br)ccc1C[NH2+]CCN1C(=O)NC2(CCCC2)C1=O ZINC000479607537 564445667 /nfs/dbraw/zinc/44/56/67/564445667.db2.gz CERYIIISUZYUTH-UHFFFAOYSA-N 1 0 380.286 2.712 20 0 GFADRO CC(=O)N1CCN(CC[NH2+][C@@H]2CCCCc3ccc(Br)cc32)CC1 ZINC000453060260 564445879 /nfs/dbraw/zinc/44/58/79/564445879.db2.gz NZANSKKQRAOMFD-LJQANCHMSA-N 1 0 394.357 2.970 20 0 GFADRO Cc1nc2cc(Cl)c(NC(=O)N3CCN([C@@H]4CC[NH2+]C4)CC3)cc2s1 ZINC000569091205 564448630 /nfs/dbraw/zinc/44/86/30/564448630.db2.gz SKGDJALXYSFUAE-GFCCVEGCSA-N 1 0 379.917 2.770 20 0 GFADRO CO[C@@]1(C[NH2+][C@H](C)c2ccc(F)c(I)c2)CCOC1 ZINC000453194340 564450037 /nfs/dbraw/zinc/45/00/37/564450037.db2.gz JEAWSDZHGYRKJD-QMTHXVAHSA-N 1 0 379.213 2.886 20 0 GFADRO CC[C@H](COCC(F)(F)F)[NH2+][C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000453255816 564450827 /nfs/dbraw/zinc/45/08/27/564450827.db2.gz KZYVVQFVHFOQAH-GXTWGEPZSA-N 1 0 382.448 2.945 20 0 GFADRO O=C(CCNC(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1)Nc1cc(Cl)cc(Cl)c1 ZINC000514591509 564450954 /nfs/dbraw/zinc/45/09/54/564450954.db2.gz GDCAREOJRVNNFJ-ABAIWWIYSA-N 1 0 385.295 2.715 20 0 GFADRO C[C@@H](N[C@H](C)C(C)(F)F)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000453279538 564452244 /nfs/dbraw/zinc/45/22/44/564452244.db2.gz FWHDYVJHBFZQKC-ZIAGYGMSSA-N 1 0 377.501 2.611 20 0 GFADRO C[C@@H](NCc1nn(C)cc1Br)c1cccc(OCC[NH+](C)C)c1 ZINC000453313826 564453094 /nfs/dbraw/zinc/45/30/94/564453094.db2.gz XEFFYWGWAJAJLV-CYBMUJFWSA-N 1 0 381.318 2.974 20 0 GFADRO O=S1(=O)CCC(O)(C[NH2+][C@@H](c2ccccc2)c2cccc(Cl)c2)CC1 ZINC000569212622 564453541 /nfs/dbraw/zinc/45/35/41/564453541.db2.gz ABAPUKUSCFJZTL-SFHVURJKSA-N 1 0 379.909 2.959 20 0 GFADRO O=C1c2ccccc2C(=O)N1C[C@H](O)C[NH2+]Cc1cc(Cl)sc1Cl ZINC000569230499 564454607 /nfs/dbraw/zinc/45/46/07/564454607.db2.gz ZYCFNUKWUTYMIF-SNVBAGLBSA-N 1 0 385.272 2.802 20 0 GFADRO Cc1c(Br)cccc1C[C@@H](CO)C[NH2+][C@@H](C)c1ccc(=O)[nH]n1 ZINC000453369895 564454886 /nfs/dbraw/zinc/45/48/86/564454886.db2.gz NKDSFUXKFGNYJJ-QWHCGFSZSA-N 1 0 380.286 2.755 20 0 GFADRO CCC(C)(C)OCC[NH2+][C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000453416656 564457333 /nfs/dbraw/zinc/45/73/33/564457333.db2.gz UYLPYVDPYTXOAN-NSHDSACASA-N 1 0 393.347 2.952 20 0 GFADRO O=C(NC[C@@H]1C[NH2+]CCCO1)C1(c2cccc(Br)c2)CCCC1 ZINC000569314662 564458085 /nfs/dbraw/zinc/45/80/85/564458085.db2.gz VSDQVJVTOWTYRY-INIZCTEOSA-N 1 0 381.314 2.756 20 0 GFADRO Cc1csc(C(=O)N2CCC3(CC[NH2+]C3)CC2)c1I ZINC000569337718 564459458 /nfs/dbraw/zinc/45/94/58/564459458.db2.gz PYESDMDWUNHRQE-UHFFFAOYSA-N 1 0 390.290 2.877 20 0 GFADRO Cc1csc(C(=O)NCCC[C@H]2CCC[NH2+]2)c1I ZINC000514855538 564460077 /nfs/dbraw/zinc/46/00/77/564460077.db2.gz MHYICAGFIRAMTD-SNVBAGLBSA-N 1 0 378.279 2.923 20 0 GFADRO Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000546587423 564460195 /nfs/dbraw/zinc/46/01/95/564460195.db2.gz UJYKZAPYEMKUHC-QGZVFWFLSA-N 1 0 384.263 2.753 20 0 GFADRO CC[NH+](CC)CCOCCNS(=O)(=O)c1cc(C(F)(F)F)ccc1C ZINC000514892711 564461092 /nfs/dbraw/zinc/46/10/92/564461092.db2.gz LCTOGPRWIVZDDF-UHFFFAOYSA-N 1 0 382.448 2.651 20 0 GFADRO Cc1cc(C[C@@H](C)[NH2+][C@H]2CCS(=O)(=O)c3ccc(Br)cc32)[nH]n1 ZINC000480159861 564461336 /nfs/dbraw/zinc/46/13/36/564461336.db2.gz MXRUYCVYRUBVCA-BMIGLBTASA-N 1 0 398.326 2.920 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1cc(Cl)cc(Br)c1 ZINC000453647864 564461971 /nfs/dbraw/zinc/46/19/71/564461971.db2.gz SCEXWVRDVMINQH-CYBMUJFWSA-N 1 0 388.693 2.642 20 0 GFADRO CC[C@@H](CCO)C[NH2+][C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000480166025 564462282 /nfs/dbraw/zinc/46/22/82/564462282.db2.gz QJJUOXLDJYROIG-FZMZJTMJSA-N 1 0 376.316 2.666 20 0 GFADRO CN1CC=C(C[NH2+][C@H]2CCS(=O)(=O)c3ccc(Br)cc32)CC1 ZINC000480176431 564462503 /nfs/dbraw/zinc/46/25/03/564462503.db2.gz DIMOORJTWOTYMD-HNNXBMFYSA-N 1 0 385.327 2.519 20 0 GFADRO CSc1ccc(Cl)cc1NC(=O)C(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000480187578 564462532 /nfs/dbraw/zinc/46/25/32/564462532.db2.gz PJUQIBSEQRMQMI-SFHVURJKSA-N 1 0 381.929 2.945 20 0 GFADRO O=S1(=O)CC[C@@H]([NH2+]CC2(CCO)CCC2)c2cc(Br)ccc21 ZINC000480213259 564464274 /nfs/dbraw/zinc/46/42/74/564464274.db2.gz JMRHSJKUICAAQB-CQSZACIVSA-N 1 0 388.327 2.810 20 0 GFADRO O=S1(=O)CC[C@@H]([NH2+]CCCn2cccn2)c2cc(Br)ccc21 ZINC000480225570 564465106 /nfs/dbraw/zinc/46/51/06/564465106.db2.gz KJSLOWVKWAEVLT-CQSZACIVSA-N 1 0 384.299 2.544 20 0 GFADRO C[C@@H](CCCOc1ccccc1C(N)=O)[NH2+]Cc1n[nH]cc1Br ZINC000546715813 564465756 /nfs/dbraw/zinc/46/57/56/564465756.db2.gz QLULFXABAKOQFN-NSHDSACASA-N 1 0 381.274 2.608 20 0 GFADRO C[NH+](C)[C@]1(CNC(=O)c2ccnc(SCC(F)(F)F)c2)CCSC1 ZINC000480276411 564466419 /nfs/dbraw/zinc/46/64/19/564466419.db2.gz HGTOXQYUAXXSFV-AWEZNQCLSA-N 1 0 379.473 2.903 20 0 GFADRO C[NH+](C)[C@]1(CNC(=O)c2ccccc2OCc2cscn2)CCSC1 ZINC000480261397 564466593 /nfs/dbraw/zinc/46/65/93/564466593.db2.gz HQKLZFQTSXFJJI-SFHVURJKSA-N 1 0 377.535 2.889 20 0 GFADRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)c1ccc(Br)o1 ZINC000546770058 564467822 /nfs/dbraw/zinc/46/78/22/564467822.db2.gz NURFCCITSWFQND-GRYCIOLGSA-N 1 0 379.320 2.687 20 0 GFADRO CCN1CCC[C@H]1C[NH2+][C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000480330608 564468885 /nfs/dbraw/zinc/46/88/85/564468885.db2.gz UCAQNCVRPJIKPA-ZFWWWQNUSA-N 1 0 387.343 2.742 20 0 GFADRO C[C@H]1C[C@@H](NC(=O)c2ncc(Br)cc2Br)CC[N@@H+]1C ZINC000546796890 564469118 /nfs/dbraw/zinc/46/91/18/564469118.db2.gz HEJHGUGGMJPMAG-WPRPVWTQSA-N 1 0 391.107 2.819 20 0 GFADRO CSc1ccc(NC(=O)C(=O)N2CC[N@@H+](C3CC3)C[C@@H](C)C2)cc1Cl ZINC000453771080 564471089 /nfs/dbraw/zinc/47/10/89/564471089.db2.gz UFVAOJPRQGHROP-GFCCVEGCSA-N 1 0 381.929 2.943 20 0 GFADRO CC[NH2+]CCCNS(=O)(=O)c1ccc(Br)c(C(F)(F)F)c1 ZINC000569692800 564474289 /nfs/dbraw/zinc/47/42/89/564474289.db2.gz JFARMEUUYHBYKA-UHFFFAOYSA-N 1 0 389.237 2.746 20 0 GFADRO Cc1c(Br)c2ccccc2n1CC(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000569703348 564474884 /nfs/dbraw/zinc/47/48/84/564474884.db2.gz WNZYDLBOKPIKKU-ZFWWWQNUSA-N 1 0 376.298 2.923 20 0 GFADRO Cn1ccnc1Sc1ncc(C(=O)NC[C@]2(C)CCC[NH2+]C2)cc1Cl ZINC000515351412 564476700 /nfs/dbraw/zinc/47/67/00/564476700.db2.gz OYBHTYAYMZCXGQ-QGZVFWFLSA-N 1 0 379.917 2.739 20 0 GFADRO COc1cccc(CN(CC[NH+](C)C)Cc2c(Br)cnn2C)c1 ZINC000569769732 564477578 /nfs/dbraw/zinc/47/75/78/564477578.db2.gz PHBBCAJSEFJYMQ-UHFFFAOYSA-N 1 0 381.318 2.755 20 0 GFADRO CCOc1cc(CN2CC[NH2+]C[C@](C)(F)C2)cc(Br)c1OC ZINC000569811014 564479624 /nfs/dbraw/zinc/47/96/24/564479624.db2.gz RYIYUOIAOZTEJX-INIZCTEOSA-N 1 0 375.282 2.990 20 0 GFADRO CC(=O)N1CCN(CC[NH2+][C@@H](C)[C@H](C)Oc2ccc(Cl)cc2Cl)CC1 ZINC000480630487 564479971 /nfs/dbraw/zinc/47/99/71/564479971.db2.gz LXQNWKQNRDEANK-KBPBESRZSA-N 1 0 388.339 2.903 20 0 GFADRO CC(=O)N1CCN(CC[NH2+][C@@H](C)c2csc(-c3csc(C)n3)c2)CC1 ZINC000480629615 564480084 /nfs/dbraw/zinc/48/00/84/564480084.db2.gz GTBSEUJFCZZMOV-ZDUSSCGKSA-N 1 0 378.567 2.995 20 0 GFADRO CC[N@@H+]1CCCC[C@@H]1CNS(=O)(=O)c1ccc(OC)cc1Br ZINC000480644002 564480687 /nfs/dbraw/zinc/48/06/87/564480687.db2.gz NLNALZUUCXJLBD-GFCCVEGCSA-N 1 0 391.331 2.610 20 0 GFADRO Cc1cc(Br)cc(C(=O)N2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)c1 ZINC000547353984 564486222 /nfs/dbraw/zinc/48/62/22/564486222.db2.gz PVIATOJUSNEYBJ-SFHVURJKSA-N 1 0 394.357 2.998 20 0 GFADRO CCc1nncn1CC[NH2+][C@H](C)CC(=O)Nc1ccc(Br)cc1 ZINC000547385601 564487116 /nfs/dbraw/zinc/48/71/16/564487116.db2.gz ZPYRZZZBTRDJLJ-GFCCVEGCSA-N 1 0 380.290 2.610 20 0 GFADRO Cn1cc(C(C)(C)[NH2+]CC(=O)Nc2c(F)cc(F)cc2Br)cn1 ZINC000547413598 564488042 /nfs/dbraw/zinc/48/80/42/564488042.db2.gz OKTYAMYGTFXSNE-UHFFFAOYSA-N 1 0 387.228 2.924 20 0 GFADRO CC[N@H+](C)C[C@H](O)CN1CCC[C@@H]1c1ccccc1I ZINC000515864870 564489240 /nfs/dbraw/zinc/48/92/40/564489240.db2.gz PJVDMNVXXBWCLO-XJKSGUPXSA-N 1 0 388.293 2.741 20 0 GFADRO CC(C)c1n[nH]c(C(=O)N2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)c1Br ZINC000570077531 564490398 /nfs/dbraw/zinc/49/03/98/564490398.db2.gz ABACVJFGUVKMGY-QWHCGFSZSA-N 1 0 399.333 2.654 20 0 GFADRO O[C@@H](C[NH2+]Cc1ccc(I)c(Cl)c1)C(F)(F)F ZINC000516175519 564495160 /nfs/dbraw/zinc/49/51/60/564495160.db2.gz FMUSOVHVMFCXHI-VIFPVBQESA-N 1 0 379.547 2.957 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)C(=O)NCC[N@@H+]1CCCC1(C)C ZINC000454066012 564495493 /nfs/dbraw/zinc/49/54/93/564495493.db2.gz HBXKIOLQYJQGGM-UHFFFAOYSA-N 1 0 382.302 2.687 20 0 GFADRO Cc1cc(Br)ccc1S(=O)(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000570279077 564498965 /nfs/dbraw/zinc/49/89/65/564498965.db2.gz DSOUXDYUPROBPS-KGLIPLIRSA-N 1 0 387.343 2.768 20 0 GFADRO [NH3+]CC1CCN(C(=O)Nc2ccc(I)cc2F)CC1 ZINC000516314742 564500063 /nfs/dbraw/zinc/50/00/63/564500063.db2.gz BWZSMGJXXLDUFN-UHFFFAOYSA-N 1 0 377.201 2.633 20 0 GFADRO O=S(=O)(c1ccc(C(F)(F)F)cc1F)N1CCC([NH2+]CC2CC2)CC1 ZINC000570395083 564503583 /nfs/dbraw/zinc/50/35/83/564503583.db2.gz CQRHJKHDSQOHOS-UHFFFAOYSA-N 1 0 380.407 2.997 20 0 GFADRO C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H](Cc3cccc(I)c3)C2)C1 ZINC000570402490 564504423 /nfs/dbraw/zinc/50/44/23/564504423.db2.gz AANYJNKPJYIJCF-HUUCEWRRSA-N 1 0 398.288 2.634 20 0 GFADRO CNC(=O)[C@H](CCSC)[NH2+][C@@H](C)Cc1ccc(F)cc1Br ZINC000570429236 564505309 /nfs/dbraw/zinc/50/53/09/564505309.db2.gz KFMXSPLACZBTRC-HZMBPMFUSA-N 1 0 377.323 2.977 20 0 GFADRO CCOc1ccc(S(=O)(=O)NC[C@@H](C)[NH+]2CCCC2)cc1Br ZINC000547714947 564507880 /nfs/dbraw/zinc/50/78/80/564507880.db2.gz ICEKJADOTUMDSQ-GFCCVEGCSA-N 1 0 391.331 2.610 20 0 GFADRO C[C@@H](CNC(=O)NC[C@@H]1CCN(c2ccc(Br)cc2)C1)[NH+](C)C ZINC000454359196 564508118 /nfs/dbraw/zinc/50/81/18/564508118.db2.gz GMXOSQADBPIOJL-KBPBESRZSA-N 1 0 383.334 2.525 20 0 GFADRO Cc1cc(C(C)(C)[NH2+]CC(=O)N(C)Cc2cnn(C)c2)ccc1Br ZINC000516688854 564509605 /nfs/dbraw/zinc/50/96/05/564509605.db2.gz NCFGQTRHCRZNAF-UHFFFAOYSA-N 1 0 393.329 2.974 20 0 GFADRO C[NH+](C)[C@@]1(CNS(=O)(=O)c2ccc(F)cc2C(F)(F)F)CCSC1 ZINC000481337040 564510109 /nfs/dbraw/zinc/51/01/09/564510109.db2.gz IQUWDOZKFRMGAX-CYBMUJFWSA-N 1 0 386.436 2.560 20 0 GFADRO COC(=O)c1ccc(OC[C@@H](O)C[NH2+]Cc2ccc(Br)cc2)cc1 ZINC000570564249 564511679 /nfs/dbraw/zinc/51/16/79/564511679.db2.gz JUACKWFSFLJHRL-INIZCTEOSA-N 1 0 394.265 2.765 20 0 GFADRO C[NH+](C)[C@]1(CNC(=O)N2CC(C)(C)O[C@@](C)(C(F)(F)F)C2)CCSC1 ZINC000454591972 564514887 /nfs/dbraw/zinc/51/48/87/564514887.db2.gz ARRTURKPTUNFHJ-CABCVRRESA-N 1 0 383.480 2.565 20 0 GFADRO CC[NH+](CC)CCS(=O)(=O)NC[C@@H]1CCN(c2cc(Cl)ccc2C)C1 ZINC000516896451 564515209 /nfs/dbraw/zinc/51/52/09/564515209.db2.gz JFQYRHWNTDPAGV-INIZCTEOSA-N 1 0 387.977 2.736 20 0 GFADRO CC[C@H]1C[N@H+](C)CCN1C(=O)NCc1cc(Br)cc2c1OCC2 ZINC000570659076 564516257 /nfs/dbraw/zinc/51/62/57/564516257.db2.gz BQKGRSFAFQPXOV-HNNXBMFYSA-N 1 0 382.302 2.620 20 0 GFADRO C[C@H](C[C@H]1CCCO1)[NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000570675951 564516413 /nfs/dbraw/zinc/51/64/13/564516413.db2.gz VXUPUIXIWCZLJU-KCPJHIHWSA-N 1 0 376.266 2.875 20 0 GFADRO CC[NH+](CC)C[C@@H](C)NC(=O)NCCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000454628737 564516935 /nfs/dbraw/zinc/51/69/35/564516935.db2.gz IMBRGWQJLJOXGD-CQSZACIVSA-N 1 0 389.949 2.533 20 0 GFADRO Cc1nc(CNC(=O)N[C@H](C)C(C)(C)C[NH+](C)C)sc1Br ZINC000454674972 564518724 /nfs/dbraw/zinc/51/87/24/564518724.db2.gz VRTSTUNJDGZERM-SNVBAGLBSA-N 1 0 377.352 2.990 20 0 GFADRO CC[C@H]([NH2+]CCc1ncc(C)cn1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000481655788 564518900 /nfs/dbraw/zinc/51/89/00/564518900.db2.gz CVRZXRDWLRONSG-HNNXBMFYSA-N 1 0 382.917 2.630 20 0 GFADRO CC[C@H]([NH2+]CCOCC(F)(F)F)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000481670825 564519182 /nfs/dbraw/zinc/51/91/82/564519182.db2.gz MLFIJGUJTVLHQD-LBPRGKRZSA-N 1 0 388.839 2.868 20 0 GFADRO CC(C)(C[NH+]1CCCC1)NC(=O)Nc1ccc(NS(C)(=O)=O)c(Cl)c1 ZINC000454850250 564524472 /nfs/dbraw/zinc/52/44/72/564524472.db2.gz HBKFJUNOQWBJCO-UHFFFAOYSA-N 1 0 388.921 2.707 20 0 GFADRO C[NH+](C)[C@@]1(CNC(=O)N2CCN(c3ccccc3Cl)CC2)CCSC1 ZINC000481787812 564524482 /nfs/dbraw/zinc/52/44/82/564524482.db2.gz MJSJHNREQRPJOC-GOSISDBHSA-N 1 0 382.961 2.609 20 0 GFADRO COC[C@]1(CNC(=O)[C@@H]2C[C@]23CCc2cc(Br)ccc23)CCC[NH2+]1 ZINC000517125970 564525424 /nfs/dbraw/zinc/52/54/24/564525424.db2.gz BROWXBHZLOWKEW-UHOSZYNNSA-N 1 0 393.325 2.538 20 0 GFADRO CO[C@H]1CCN(C(=O)CCCCOc2ccc(Br)cc2)[C@@H](C[NH3+])C1 ZINC000517125749 564525607 /nfs/dbraw/zinc/52/56/07/564525607.db2.gz ZCUPHIWAZUDLSB-WBVHZDCISA-N 1 0 399.329 2.963 20 0 GFADRO C[C@@H](Cn1cccn1)[NH2+]C[C@H](O)COc1ccc(Cl)cc1Br ZINC000517321479 564530949 /nfs/dbraw/zinc/53/09/49/564530949.db2.gz AACCSOFHNXJNNS-AAEUAGOBSA-N 1 0 388.693 2.717 20 0 GFADRO O=C(NCCOc1ccc(Cl)c(Cl)c1)NC[C@@H]1CN(C2CC2)CCO1 ZINC000454997359 564531274 /nfs/dbraw/zinc/53/12/74/564531274.db2.gz SOFGVKLODSWSBP-CQSZACIVSA-N 1 0 388.295 2.535 20 0 GFADRO CC[NH+](CC)CCN(CCOC)C(=O)NCc1ccc(Br)cc1 ZINC000517357815 564532020 /nfs/dbraw/zinc/53/20/20/564532020.db2.gz KRENTEXQEXXLCZ-UHFFFAOYSA-N 1 0 386.334 2.949 20 0 GFADRO CCCN(C(=O)NCc1cc(Br)c2c(c1)OCCO2)[C@H]1CC[NH2+]C1 ZINC000571059421 564534463 /nfs/dbraw/zinc/53/44/63/564534463.db2.gz FQPAWSMAAQRRMR-ZDUSSCGKSA-N 1 0 398.301 2.504 20 0 GFADRO C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C1 ZINC000517455056 564534695 /nfs/dbraw/zinc/53/46/95/564534695.db2.gz MWGANCIRMRVOTI-TZMCWYRMSA-N 1 0 384.307 2.804 20 0 GFADRO CCOC[C@@H](C)CS(=O)(=O)NC[C@@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000571094071 564535278 /nfs/dbraw/zinc/53/52/78/564535278.db2.gz HIJYGXRMGAREOW-ZBFHGGJFSA-N 1 0 376.950 2.577 20 0 GFADRO O=C(Nc1ccc(Cl)c(OC(F)F)c1)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000455119098 564537916 /nfs/dbraw/zinc/53/79/16/564537916.db2.gz ZBGUBBATNPGAAX-GFCCVEGCSA-N 1 0 377.819 2.910 20 0 GFADRO Cc1nc2cc(Br)cc(NC(=O)NCCOCC[NH+](C)C)c2o1 ZINC000455157331 564538762 /nfs/dbraw/zinc/53/87/62/564538762.db2.gz AAZKYLCDSQIJKH-UHFFFAOYSA-N 1 0 385.262 2.598 20 0 GFADRO Cc1ccc(I)cc1NC(=O)N1C[C@H]2CC[N@@H+](C)[C@H]2C1 ZINC000455160454 564539842 /nfs/dbraw/zinc/53/98/42/564539842.db2.gz SYFYUFVEKQXFQO-RISCZKNCSA-N 1 0 385.249 2.767 20 0 GFADRO CN(C(=O)c1ccn(-c2cccc(Br)c2)n1)[C@@H]1C[NH+]2CCC1CC2 ZINC000517699702 564540447 /nfs/dbraw/zinc/54/04/47/564540447.db2.gz VUWZRJZUWGFMKR-QGZVFWFLSA-N 1 0 389.297 2.801 20 0 GFADRO C[C@@H]1CCN(C(=O)c2ccc(-n3cc(Br)cn3)cc2)C[C@@H]1C[NH3+] ZINC000517731044 564541267 /nfs/dbraw/zinc/54/12/67/564541267.db2.gz DDOGLPPASKQCGY-OCCSQVGLSA-N 1 0 377.286 2.692 20 0 GFADRO O=C(CC[N@@H+]1C[C@H](O)C[C@@H]1[C@H]1CCCOC1)Nc1cccc(Br)c1 ZINC000571274437 564544034 /nfs/dbraw/zinc/54/40/34/564544034.db2.gz JLOOWBQTIBXXHW-IAOVAPTHSA-N 1 0 397.313 2.640 20 0 GFADRO C[C@H](NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1ccc(F)c(Br)c1 ZINC000482548060 564545713 /nfs/dbraw/zinc/54/57/13/564545713.db2.gz LXLYDVXFQHJWNH-GXTWGEPZSA-N 1 0 386.309 2.826 20 0 GFADRO O[C@H](C[NH2+][C@@H]1C[C@H]1c1ccc(Br)c(F)c1)COC1CCOCC1 ZINC000571315873 564545702 /nfs/dbraw/zinc/54/57/02/564545702.db2.gz OZOUNHDTXIDISC-HACGYAERSA-N 1 0 388.277 2.590 20 0 GFADRO COc1cc(Cl)c(Cl)cc1NC(=O)NC[C@@H]1CCC[N@@H+]1CCCO ZINC000455258849 564545896 /nfs/dbraw/zinc/54/58/96/564545896.db2.gz JNONYWIDENZOOZ-NSHDSACASA-N 1 0 376.284 2.970 20 0 GFADRO CCN(CC)S(=O)(=O)CC[NH2+][C@H](C)c1ccc(OCC(F)(F)F)cc1 ZINC000482624627 564546718 /nfs/dbraw/zinc/54/67/18/564546718.db2.gz AGZCPIIWTLOBTJ-CYBMUJFWSA-N 1 0 382.448 2.950 20 0 GFADRO C[C@H](CNC(=O)C(=O)N(C)CC[N@H+](C)C1CC1)c1c(Cl)cccc1Cl ZINC000571352249 564547732 /nfs/dbraw/zinc/54/77/32/564547732.db2.gz QTMNQAXTXXBIET-GFCCVEGCSA-N 1 0 386.323 2.766 20 0 GFADRO CC(C)(C)[C@H]([NH2+]Cc1ccc(I)cc1Cl)C(N)=O ZINC000482783484 564549976 /nfs/dbraw/zinc/54/99/76/564549976.db2.gz BFTPSKJMGYEOOP-LLVKDONJSA-N 1 0 380.657 2.934 20 0 GFADRO COc1ccc(Br)c(CC(=O)Nc2cnc3c(c2)C[C@H]([NH3+])CC3)c1 ZINC000571432155 564551013 /nfs/dbraw/zinc/55/10/13/564551013.db2.gz GXLXTHFHOROGGU-CYBMUJFWSA-N 1 0 390.281 2.850 20 0 GFADRO [NH3+][C@@H](CNC(=O)NCc1cc(Br)cc2c1OCC2)c1ccccc1 ZINC000571420014 564551153 /nfs/dbraw/zinc/55/11/53/564551153.db2.gz OKBMGLHOCIORIQ-INIZCTEOSA-N 1 0 390.281 2.883 20 0 GFADRO C[C@H]1CCC[N@H+](CCNC(=O)NCCOc2cccc(Br)c2)C1 ZINC000518377342 564552160 /nfs/dbraw/zinc/55/21/60/564552160.db2.gz HCDJTVWYEIACIW-AWEZNQCLSA-N 1 0 384.318 2.859 20 0 GFADRO O=S1(=O)CC[C@@H]([NH2+][C@H]2CC[C@H](CO)CC2)c2cc(Br)ccc21 ZINC000548481171 564553686 /nfs/dbraw/zinc/55/36/86/564553686.db2.gz AEGSPCHVRJHVEJ-UXIGCNINSA-N 1 0 388.327 2.808 20 0 GFADRO CC[C@@H]1C[N@H+](C)CCCN1S(=O)(=O)c1cccc(Br)c1C ZINC000571485201 564553604 /nfs/dbraw/zinc/55/36/04/564553604.db2.gz NZQGJCAHPMYHHU-CYBMUJFWSA-N 1 0 375.332 2.862 20 0 GFADRO O=S(=O)(c1ccc(F)c(Br)c1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000571523574 564555060 /nfs/dbraw/zinc/55/50/60/564555060.db2.gz MSYGRQMDMWBPNO-GFCCVEGCSA-N 1 0 391.306 2.598 20 0 GFADRO CCC(C)(C)[NH2+][C@@H](C)C(=O)N(CCO)Cc1ccc(Br)s1 ZINC000483006867 564556598 /nfs/dbraw/zinc/55/65/98/564556598.db2.gz CJDWYUDCLBOODD-NSHDSACASA-N 1 0 377.348 2.998 20 0 GFADRO CSc1ccc(C[NH2+]Cc2ccc(S(=O)(=O)N3CCOCC3)cc2)s1 ZINC000571571545 564556902 /nfs/dbraw/zinc/55/69/02/564556902.db2.gz NKTIJZFJXISMOK-UHFFFAOYSA-N 1 0 398.575 2.781 20 0 GFADRO C[C@H]1CC[NH2+]C[C@@H]1NS(=O)(=O)Cc1ccc(Cl)cc1Br ZINC000571561662 564557472 /nfs/dbraw/zinc/55/74/72/564557472.db2.gz SVTPKIBJNGEJRX-ZANVPECISA-N 1 0 381.723 2.520 20 0 GFADRO CN(C)c1ncc(C[NH2+]CCCNC(=O)c2ccc(Br)cc2)s1 ZINC000518784541 564562513 /nfs/dbraw/zinc/56/25/13/564562513.db2.gz JUFHVZVUMCHUEB-UHFFFAOYSA-N 1 0 397.342 2.881 20 0 GFADRO C[NH+](C)C1CN(C(=O)Nc2cc(Cl)ccc2I)C1 ZINC000455649896 564563230 /nfs/dbraw/zinc/56/32/30/564563230.db2.gz RYFKUSBCMYSPEE-UHFFFAOYSA-N 1 0 379.629 2.722 20 0 GFADRO CN(CC[C@H]1CCC[N@@H+]1C)Cc1cn(-c2cccc(Br)c2)nn1 ZINC000483350688 564564508 /nfs/dbraw/zinc/56/45/08/564564508.db2.gz HQZNNOCRJDNDCZ-MRXNPFEDSA-N 1 0 378.318 2.946 20 0 GFADRO C[C@H](CCCO)C[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000518979895 564566285 /nfs/dbraw/zinc/56/62/85/564566285.db2.gz VWFSSTQFVAKQDX-DGCLKSJQSA-N 1 0 380.710 2.840 20 0 GFADRO CC[C@H]1CN(C(=O)Nc2nc(CC(F)(F)F)cs2)CC[N@@H+]1C[C@@H](C)O ZINC000455728257 564566628 /nfs/dbraw/zinc/56/66/28/564566628.db2.gz QXUVMUCRGOYNOB-PWSUYJOCSA-N 1 0 380.436 2.557 20 0 GFADRO Cc1[nH]c(=O)c(C(=O)N2CC[N@@H+]([C@@H]3C[C@@H]3C)C[C@H](C)C2)cc1Br ZINC000519014847 564567726 /nfs/dbraw/zinc/56/77/26/564567726.db2.gz QENVVYBZRPTLIG-ZIBATOQPSA-N 1 0 382.302 2.660 20 0 GFADRO CC(C)(C)NS(=O)(=O)CC[NH2+][C@@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000548640146 564568201 /nfs/dbraw/zinc/56/82/01/564568201.db2.gz SCFTZSZQQTVGFH-CYBMUJFWSA-N 1 0 379.448 2.785 20 0 GFADRO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CCc2sccc2[C@H]1c1cccs1 ZINC000571881877 564570848 /nfs/dbraw/zinc/57/08/48/564570848.db2.gz FVKBQQRTIUYOIJ-MKBNYLNASA-N 1 0 377.535 2.526 20 0 GFADRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)Nc1cccc(Cl)c1Br ZINC000483607791 564570937 /nfs/dbraw/zinc/57/09/37/564570937.db2.gz POZRFWNRLVXCLU-SNVBAGLBSA-N 1 0 390.709 2.888 20 0 GFADRO Cc1nc(-c2ccc(CCNC(=O)N3C[C@@H]4CC[NH2+]C[C@H]4C3)s2)cs1 ZINC000571893597 564571544 /nfs/dbraw/zinc/57/15/44/564571544.db2.gz RYGDAIAHZGYQJR-KBPBESRZSA-N 1 0 376.551 2.973 20 0 GFADRO CN(C)c1cc(NC(=O)N(C)CCC[NH+]2CCCC2)ncc1Br ZINC000455858754 564575657 /nfs/dbraw/zinc/57/56/57/564575657.db2.gz CMNNSYQHOFOKHY-UHFFFAOYSA-N 1 0 384.322 2.860 20 0 GFADRO C[C@@H](CNC(=O)C1(c2ccc(I)cc2)CC1)[NH+]1CCCC1 ZINC000548800461 564575881 /nfs/dbraw/zinc/57/58/81/564575881.db2.gz ZRARCDWYSFKNAG-ZDUSSCGKSA-N 1 0 398.288 2.923 20 0 GFADRO [NH3+]CC[C@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2Br)C1 ZINC000519400723 564576823 /nfs/dbraw/zinc/57/68/23/564576823.db2.gz NHXCVZMJPJETAG-LLVKDONJSA-N 1 0 395.750 2.993 20 0 GFADRO COC[C@@]1(CNC(=O)N[C@H]2CCc3c2cccc3Br)CCC[NH2+]1 ZINC000572103228 564580701 /nfs/dbraw/zinc/58/07/01/564580701.db2.gz OFEDQXXRANWSOY-RDJZCZTQSA-N 1 0 382.302 2.504 20 0 GFADRO CC[C@@H]1Cc2c(Br)cccc2C[N@@H+]1CCC(=O)N1CCN(C)CC1 ZINC000548933097 564581342 /nfs/dbraw/zinc/58/13/42/564581342.db2.gz NETBSNRHFOJFMZ-MRXNPFEDSA-N 1 0 394.357 2.750 20 0 GFADRO C[NH2+]CCCC(=O)N1CCC(NC(=O)N(C)Cc2ccc(Cl)s2)CC1 ZINC000572136521 564582673 /nfs/dbraw/zinc/58/26/73/564582673.db2.gz BUVIPLBBJMBHAC-UHFFFAOYSA-N 1 0 386.949 2.534 20 0 GFADRO C[C@H]1CC[N@H+](CC(=O)NC[C@@H]2CCN(c3cccc(Br)c3)C2)C1 ZINC000519602721 564583186 /nfs/dbraw/zinc/58/31/86/564583186.db2.gz GREIDJLBJKOPCB-GJZGRUSLSA-N 1 0 380.330 2.733 20 0 GFADRO CCc1ccc(-c2csc(NC(=O)C(=O)NC3CC[NH+](C)CC3)n2)s1 ZINC000572166167 564583807 /nfs/dbraw/zinc/58/38/07/564583807.db2.gz FAMPERDXLASIJB-UHFFFAOYSA-N 1 0 378.523 2.583 20 0 GFADRO C[C@@H]1[C@@H](NC(=O)C(=O)Nc2cccc(Cl)c2Br)CCC[N@@H+]1C ZINC000484253778 564585106 /nfs/dbraw/zinc/58/51/06/564585106.db2.gz DBYUENMGTZPBCN-KOLCDFICSA-N 1 0 388.693 2.640 20 0 GFADRO CCn1c(-c2cc(Br)cn2C)nnc1N1CC[NH+](C2CCC2)CC1 ZINC000549051933 564585410 /nfs/dbraw/zinc/58/54/10/564585410.db2.gz ATVJMXDYICZDPR-UHFFFAOYSA-N 1 0 393.333 2.741 20 0 GFADRO O=S(=O)(c1cc(Cl)ccc1OCC1CCC1)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000572228734 564585876 /nfs/dbraw/zinc/58/58/76/564585876.db2.gz IOCBGKKBWZPWIM-GOEBONIOSA-N 1 0 384.929 2.891 20 0 GFADRO CC[NH2+]CCCNS(=O)(=O)c1ccc(Br)cc1C(F)(F)F ZINC000519713999 564587621 /nfs/dbraw/zinc/58/76/21/564587621.db2.gz NZGWVSANUBJRCV-UHFFFAOYSA-N 1 0 389.237 2.746 20 0 GFADRO Cc1nccn1C[C@H](C)C[NH2+]C[C@@H](O)COc1ccc(Br)cc1 ZINC000572274734 564587884 /nfs/dbraw/zinc/58/78/84/564587884.db2.gz LYNOJJDUEZNLJX-CZUORRHYSA-N 1 0 382.302 2.620 20 0 GFADRO Cc1cc(C(C)(C)[NH2+]CCC(=O)N2CCN(C)CC2)ccc1Br ZINC000519729777 564588953 /nfs/dbraw/zinc/58/89/53/564588953.db2.gz WXDPNWOGMNSJOD-UHFFFAOYSA-N 1 0 382.346 2.746 20 0 GFADRO C[C@H]1C[C@H](NC(=O)N2CCOc3ccc(Br)cc3C2)C[N@@H+]1C1CC1 ZINC000549225541 564589028 /nfs/dbraw/zinc/58/90/28/564589028.db2.gz AUESTEAADHRLDD-WFASDCNBSA-N 1 0 394.313 2.978 20 0 GFADRO O[C@@H](C[NH2+]CC1=CCCOC1)COc1ccc(Cl)cc1Br ZINC000519761477 564589461 /nfs/dbraw/zinc/58/94/61/564589461.db2.gz BTPFUNFDVZGQCG-ZDUSSCGKSA-N 1 0 376.678 2.779 20 0 GFADRO O=C(N[C@H](CC1CC1)c1cc(F)cc(Br)c1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000572347316 564590633 /nfs/dbraw/zinc/59/06/33/564590633.db2.gz FWMRSIWPVZYVLP-QXSJWSMHSA-N 1 0 382.277 2.946 20 0 GFADRO C[NH+](C)C1(CNC(=O)C(=O)Nc2cccc(Br)c2Cl)CCC1 ZINC000549297943 564591168 /nfs/dbraw/zinc/59/11/68/564591168.db2.gz XDFAZOINMAHAKZ-UHFFFAOYSA-N 1 0 388.693 2.642 20 0 GFADRO CC(C)[C@H](CNC(=O)c1cn(CC[NH3+])nn1)Cc1ccc(Cl)cc1Cl ZINC000572379384 564592447 /nfs/dbraw/zinc/59/24/47/564592447.db2.gz DKEWMDFIJSCDIZ-ZDUSSCGKSA-N 1 0 384.311 2.788 20 0 GFADRO CS[C@@H]1CN([C@H]2CCN(c3ccccc3Cl)C2=O)C[C@H]1[NH+]1CCCC1 ZINC000484631746 564592728 /nfs/dbraw/zinc/59/27/28/564592728.db2.gz JDKICUUWNIMSDS-RCCFBDPRSA-N 1 0 379.957 2.957 20 0 GFADRO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1Cc1nc(-c2cccc(Br)c2)c[nH]1 ZINC000572466848 564596120 /nfs/dbraw/zinc/59/61/20/564596120.db2.gz NFXSKVNNEOQGJV-KBPBESRZSA-N 1 0 393.329 2.726 20 0 GFADRO Cc1ccc(C[NH2+]CCC(=O)Nc2ccc(Br)cc2)c(=O)n1C ZINC000572476104 564596361 /nfs/dbraw/zinc/59/63/61/564596361.db2.gz HCFOLGAJKIACII-UHFFFAOYSA-N 1 0 378.270 2.575 20 0 GFADRO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)Nc1ccc(Br)cc1C(F)(F)F ZINC000572602238 564601695 /nfs/dbraw/zinc/60/16/95/564601695.db2.gz LQKLGXDEHJJXDX-JGVFFNPUSA-N 1 0 396.207 2.648 20 0 GFADRO O=C(NCCOc1cccc(Br)c1)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000572617504 564602277 /nfs/dbraw/zinc/60/22/77/564602277.db2.gz VJZHPINRYFEOSX-CABCVRRESA-N 1 0 396.329 2.859 20 0 GFADRO CC[N@@H+]1CCCC[C@H]1CNS(=O)(=O)c1ccc(C)cc1Br ZINC000520385519 564602520 /nfs/dbraw/zinc/60/25/20/564602520.db2.gz JVZYAWYKHJUEDF-ZDUSSCGKSA-N 1 0 375.332 2.910 20 0 GFADRO C[C@@H]1C[N@H+](C)CCN1c1ccc(Br)cc1NC(=O)COCC1CC1 ZINC000456377050 564603847 /nfs/dbraw/zinc/60/38/47/564603847.db2.gz SPYCCAFXJOMUFG-CYBMUJFWSA-N 1 0 396.329 2.955 20 0 GFADRO C[C@@H]1C[N@H+](C)CCN1c1ccc(Br)cc1NC(=O)[C@H]1CCCO1 ZINC000456369431 564603859 /nfs/dbraw/zinc/60/38/59/564603859.db2.gz MDYGVLJZOIYTEJ-MLGOLLRUSA-N 1 0 382.302 2.707 20 0 GFADRO CCCOC[C@H](Cc1cccc(Br)c1)[NH2+]C[C@H](C)S(C)(=O)=O ZINC000572715133 564607583 /nfs/dbraw/zinc/60/75/83/564607583.db2.gz QSFKBONYTNIIGU-BBRMVZONSA-N 1 0 392.359 2.810 20 0 GFADRO CNC(=O)NC(=O)CC[N@@H+]1CCCC[C@@H]1Cc1ccccc1Br ZINC000520618997 564609430 /nfs/dbraw/zinc/60/94/30/564609430.db2.gz FGKTVMSWVYBNMT-CQSZACIVSA-N 1 0 382.302 2.692 20 0 GFADRO CCO[C@@H]1C[C@H]([NH2+]Cc2cc(Br)c(O)c(OC)c2)[C@H]1n1cccn1 ZINC000549939382 564610106 /nfs/dbraw/zinc/61/01/06/564610106.db2.gz MDXFZAXKJWISBL-SQWLQELKSA-N 1 0 396.285 2.868 20 0 GFADRO Cn1cc([C@@H]2CN(C(=O)CSCc3ccc(Cl)cc3Cl)C[C@H]2[NH3+])cn1 ZINC000572833361 564611758 /nfs/dbraw/zinc/61/17/58/564611758.db2.gz TWQUQLMJZIIFDW-GOEBONIOSA-N 1 0 399.347 2.913 20 0 GFADRO C[C@H](NC(=O)C(=O)NCC1([NH+](C)C)CCCC1)c1ccc(Br)cc1 ZINC000549994575 564612910 /nfs/dbraw/zinc/61/29/10/564612910.db2.gz NLGJBGLXSZRPQO-ZDUSSCGKSA-N 1 0 396.329 2.617 20 0 GFADRO CC[C@H](C)[NH+]1CCN(C(=O)c2cc(Br)cc(C(=O)OC)c2)CC1 ZINC000456524511 564616345 /nfs/dbraw/zinc/61/63/45/564616345.db2.gz PKCULIDIQMKJCN-LBPRGKRZSA-N 1 0 383.286 2.792 20 0 GFADRO C[N@@H+]1CCC[C@]2(CCN([C@H]3CCN(c4cccc(Br)c4)C3=O)C2)C1 ZINC000550238105 564618312 /nfs/dbraw/zinc/61/83/12/564618312.db2.gz RSCJHNMLJKYJGI-HKUYNNGSSA-N 1 0 392.341 2.972 20 0 GFADRO CCOc1c(Br)cc(CN2CC[NH2+]C[C@H]2C(F)F)cc1OC ZINC000573000736 564618781 /nfs/dbraw/zinc/61/87/81/564618781.db2.gz PSFLJOKOTVVHTD-LBPRGKRZSA-N 1 0 379.245 2.895 20 0 GFADRO CC[N@@H+]1CCCN(C(=O)c2ccc(I)c(F)c2)CC1 ZINC000521137546 564620081 /nfs/dbraw/zinc/62/00/81/564620081.db2.gz UAJAQBOJGKUOCZ-UHFFFAOYSA-N 1 0 376.213 2.598 20 0 GFADRO CCO[C@@H]1C[C@H]([NH2+]Cc2cn3ccc(Br)cc3n2)[C@@H]1n1cccn1 ZINC000550324698 564620700 /nfs/dbraw/zinc/62/07/00/564620700.db2.gz IVIXIHCKANQOPQ-UXLLHSPISA-N 1 0 390.285 2.802 20 0 GFADRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cn3ccc(Br)cc3n2)[C@H]1n1cccn1 ZINC000550324696 564621006 /nfs/dbraw/zinc/62/10/06/564621006.db2.gz IVIXIHCKANQOPQ-BFYDXBDKSA-N 1 0 390.285 2.802 20 0 GFADRO [NH3+]CCC1CCN(C(=O)C(=O)Nc2cc(Cl)cc(C(F)(F)F)c2)CC1 ZINC000521257052 564622652 /nfs/dbraw/zinc/62/26/52/564622652.db2.gz CLZISZFUWXBKEK-UHFFFAOYSA-N 1 0 377.794 2.885 20 0 GFADRO CC(C)(CNC(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1)c1cccc(Br)c1 ZINC000485774367 564625256 /nfs/dbraw/zinc/62/52/56/564625256.db2.gz JBXRMTCXXPEFDR-LBPRGKRZSA-N 1 0 391.313 2.957 20 0 GFADRO COc1ccc(Br)cc1C(=O)N[C@@H]1CCCC[C@@H]1N1CCOCC1 ZINC000573178531 564626092 /nfs/dbraw/zinc/62/60/92/564626092.db2.gz NAYDLZHFQAJNMN-CVEARBPZSA-N 1 0 397.313 2.831 20 0 GFADRO CCC[NH+]1CCC(NC(=O)C(=O)NCCc2c(Cl)cccc2Cl)CC1 ZINC000550517964 564626026 /nfs/dbraw/zinc/62/60/26/564626026.db2.gz PWDOEBGRTFQGCZ-UHFFFAOYSA-N 1 0 386.323 2.643 20 0 GFADRO COc1ccc(Br)cc1C(=O)N[C@H]1CCCC[C@@H]1N1CCOCC1 ZINC000573178532 564626535 /nfs/dbraw/zinc/62/65/35/564626535.db2.gz NAYDLZHFQAJNMN-HOTGVXAUSA-N 1 0 397.313 2.831 20 0 GFADRO CC[NH2+]CCCNC(=O)N1CCN([C@@H](C)c2ccc(Br)cc2)CC1 ZINC000573190388 564627531 /nfs/dbraw/zinc/62/75/31/564627531.db2.gz SXLTWLAROQCREM-HNNXBMFYSA-N 1 0 397.361 2.837 20 0 GFADRO CCOc1cc(CN2CC[NH2+]C[C@H]2C(F)F)cc(Br)c1OC ZINC000521435985 564627828 /nfs/dbraw/zinc/62/78/28/564627828.db2.gz ILLNIQOQVKKZPD-LBPRGKRZSA-N 1 0 379.245 2.895 20 0 GFADRO C[C@@H](C(=O)NC(C)(C)C)N(C)CC(=O)N(C)Cc1ccccc1Br ZINC000485878501 564629447 /nfs/dbraw/zinc/62/94/47/564629447.db2.gz XBTMFROMBMEJSJ-ZDUSSCGKSA-N 1 0 398.345 2.643 20 0 GFADRO C[C@H]([NH2+]CCc1cnc(SC2CCCC2)nc1)C1CCS(=O)(=O)CC1 ZINC000550919196 564634130 /nfs/dbraw/zinc/63/41/30/564634130.db2.gz GOWIGUQGPKMCGC-AWEZNQCLSA-N 1 0 383.583 2.857 20 0 GFADRO FC(F)(F)c1ccc(Br)c(C[NH2+][C@@H]2CCc3nnnn3CC2)c1 ZINC000573435321 564637467 /nfs/dbraw/zinc/63/74/67/564637467.db2.gz MDTHXFSEDNFLPL-LLVKDONJSA-N 1 0 390.207 2.949 20 0 GFADRO C[C@H]1C[NH+](CCCCNC(=O)c2ncsc2Br)C[C@H](C)O1 ZINC000521896056 564638613 /nfs/dbraw/zinc/63/86/13/564638613.db2.gz KPYNIUVAIZJAHZ-QWRGUYRKSA-N 1 0 376.320 2.525 20 0 GFADRO C[C@H](NC(=O)NC1CC[NH+](C(C)(C)C)CC1)c1ncc(Br)cn1 ZINC000521959943 564639523 /nfs/dbraw/zinc/63/95/23/564639523.db2.gz HEDIPYNCOAFPRK-NSHDSACASA-N 1 0 384.322 2.862 20 0 GFADRO Cc1ccc(C(=O)N2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)c(Br)c1 ZINC000486144543 564641085 /nfs/dbraw/zinc/64/10/85/564641085.db2.gz ACKXNMHVNORHSZ-MAUKXSAKSA-N 1 0 394.357 2.856 20 0 GFADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)c1cc(Br)cc2ccccc21 ZINC000522065892 564643770 /nfs/dbraw/zinc/64/37/70/564643770.db2.gz FYZIBPSLMQWUSL-OAHLLOKOSA-N 1 0 376.298 2.578 20 0 GFADRO CC1(C)CCC[N@@H+]1CCNC(=O)Cc1ccccc1I ZINC000457049934 564643977 /nfs/dbraw/zinc/64/39/77/564643977.db2.gz FZYNSCRNEMJOTQ-UHFFFAOYSA-N 1 0 386.277 2.824 20 0 GFADRO C[C@@H](NC(=O)NCc1n[nH]cc1Br)[C@@H](c1ccccc1)[NH+](C)C ZINC000573589336 564645426 /nfs/dbraw/zinc/64/54/26/564645426.db2.gz BNGQSMLBMRIXQI-ABAIWWIYSA-N 1 0 380.290 2.663 20 0 GFADRO CC(C)(C[NH+]1CCCC1)NC(=O)Cc1ccc(I)cc1 ZINC000457052424 564645458 /nfs/dbraw/zinc/64/54/58/564645458.db2.gz OAMPDYONSRVDNL-UHFFFAOYSA-N 1 0 386.277 2.824 20 0 GFADRO C[C@H]1CC[N@H+](CC(=O)N2CCN(C(=O)c3cc4sccc4s3)CC2)C1 ZINC000573623634 564646887 /nfs/dbraw/zinc/64/68/87/564646887.db2.gz NVRUSKQMTLTNPD-ZDUSSCGKSA-N 1 0 377.535 2.589 20 0 GFADRO C[NH+](C)CCn1ccc(C(=O)NCc2cc3cc(Br)ccc3[nH]2)n1 ZINC000573625104 564647298 /nfs/dbraw/zinc/64/72/98/564647298.db2.gz YMEMHRSWLJRKFU-UHFFFAOYSA-N 1 0 390.285 2.619 20 0 GFADRO Cc1ccc(Br)c(C)c1C(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000551412963 564648982 /nfs/dbraw/zinc/64/89/82/564648982.db2.gz URJHRIJEIZWUON-UHFFFAOYSA-N 1 0 382.346 2.822 20 0 GFADRO C[C@H]1CC[N@H+](C)CCN1C(=O)C(=O)N[C@@H]1CCSc2ccc(Cl)cc21 ZINC000573705235 564650337 /nfs/dbraw/zinc/65/03/37/564650337.db2.gz HVJPMDUWDBUYEF-SWLSCSKDSA-N 1 0 381.929 2.546 20 0 GFADRO C[C@H](NC(=O)c1ccc(Br)cc1)C(=O)NCCCC[N@H+](C)C1CC1 ZINC000457166467 564650680 /nfs/dbraw/zinc/65/06/80/564650680.db2.gz BOSOVELAWRVNSS-ZDUSSCGKSA-N 1 0 396.329 2.558 20 0 GFADRO Cc1cc(Br)cc(NC(=O)C(=O)N2CC[NH+](C3CCCC3)CC2)c1 ZINC000486383193 564650684 /nfs/dbraw/zinc/65/06/84/564650684.db2.gz WNHJUUPOEYJXHP-UHFFFAOYSA-N 1 0 394.313 2.783 20 0 GFADRO Cn1c(SCC(=O)NCCCC[N@H+](C)C2CC2)nnc1-c1cccs1 ZINC000457198240 564651605 /nfs/dbraw/zinc/65/16/05/564651605.db2.gz JUAVTJZWQIHZJZ-UHFFFAOYSA-N 1 0 379.555 2.626 20 0 GFADRO C[C@@](O)(C[NH2+]Cc1cnc(-c2ccc(Cl)cc2)s1)CN1CCOCC1 ZINC000551536699 564653599 /nfs/dbraw/zinc/65/35/99/564653599.db2.gz QNARMERNHQBLJF-GOSISDBHSA-N 1 0 381.929 2.636 20 0 GFADRO CN(C(=O)c1c(O)cnc2c(Br)cccc21)[C@H]1CCC[N@H+](C)C1 ZINC000486480042 564654225 /nfs/dbraw/zinc/65/42/25/564654225.db2.gz PJEREMSFWNACGJ-NSHDSACASA-N 1 0 378.270 2.869 20 0 GFADRO CC[C@@H](CSc1ccc(Cl)cc1)[NH2+]CC1(O)CCS(=O)(=O)CC1 ZINC000551565252 564655308 /nfs/dbraw/zinc/65/53/08/564655308.db2.gz CVLXJAUHGZELCQ-AWEZNQCLSA-N 1 0 377.959 2.740 20 0 GFADRO C[C@H](CNC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1)c1c(Cl)cccc1Cl ZINC000522851266 564657536 /nfs/dbraw/zinc/65/75/36/564657536.db2.gz SKRJQEBJDXUJIK-OLZOCXBDSA-N 1 0 386.323 2.623 20 0 GFADRO O=S1(=O)CCO[C@H](C[NH2+][C@H]2CC[C@@H](c3ccc(C(F)(F)F)cc3)C2)C1 ZINC000573883479 564657801 /nfs/dbraw/zinc/65/78/01/564657801.db2.gz DAOJTECUFADZMB-VNQPRFMTSA-N 1 0 377.428 2.745 20 0 GFADRO C[N@@H+]1CCC[C@@H](CNC(=O)N[C@H](c2cncc(Br)c2)C2CC2)C1 ZINC000551655393 564658648 /nfs/dbraw/zinc/65/86/48/564658648.db2.gz UDAMDXXPFKJELE-LRDDRELGSA-N 1 0 381.318 2.936 20 0 GFADRO C[C@H]1CCN(C(=O)c2cc(=O)[nH]c3ccc(Br)cc32)[C@@H](C)[C@H]1[NH3+] ZINC000457363107 564658841 /nfs/dbraw/zinc/65/88/41/564658841.db2.gz OKFUROCMXYWMFE-PUTJDCORSA-N 1 0 378.270 2.901 20 0 GFADRO O=C(NCCCOCC(F)(F)F)c1ccc(C[NH+]2CCSCC2)cc1 ZINC000523065254 564661155 /nfs/dbraw/zinc/66/11/55/564661155.db2.gz WIVHLZPPYQECJW-UHFFFAOYSA-N 1 0 376.444 2.934 20 0 GFADRO C[C@@H](NC(=O)N[C@@H]1CCC[N@H+](CCCO)C1)c1ccccc1Br ZINC000457447862 564661738 /nfs/dbraw/zinc/66/17/38/564661738.db2.gz DUQICDVDXBONKA-ZIAGYGMSSA-N 1 0 384.318 2.656 20 0 GFADRO C[C@@H](Oc1ccc(Cl)cc1Cl)[C@H](C)[NH2+]CC1(O)CCS(=O)(=O)CC1 ZINC000551813558 564664031 /nfs/dbraw/zinc/66/40/31/564664031.db2.gz WFBYIBNGXHGFLY-NWDGAFQWSA-N 1 0 396.336 2.679 20 0 GFADRO COc1ccc([C@H](CN(C)C)[NH2+][C@@H](C)Cn2cc(Br)cn2)cc1 ZINC000551802944 564664173 /nfs/dbraw/zinc/66/41/73/564664173.db2.gz ZHDYFPDGBHRLIM-GUYCJALGSA-N 1 0 381.318 2.935 20 0 GFADRO COC(=O)c1ccc(C[NH2+]CCCOC[C@@H]2CCOC2)c(Br)c1 ZINC000551803383 564664574 /nfs/dbraw/zinc/66/45/74/564664574.db2.gz WYQURHVRIHGXDK-ZDUSSCGKSA-N 1 0 386.286 2.769 20 0 GFADRO C[N@H+]1C[C@@H](c2ccccc2)[C@H](NS(=O)(=O)Cc2ccc(Cl)c(F)c2)C1 ZINC000574052493 564666357 /nfs/dbraw/zinc/66/63/57/564666357.db2.gz MOMPDBGUKXFFCO-MAUKXSAKSA-N 1 0 382.888 2.996 20 0 GFADRO CCC[NH+]1CCN(C(=O)[C@@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)CC1 ZINC000486775659 564666386 /nfs/dbraw/zinc/66/63/86/564666386.db2.gz FFMNSFIZZYZOCM-AWEZNQCLSA-N 1 0 384.307 2.901 20 0 GFADRO C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCCCOc1ncc(C(F)(F)F)cc1Cl ZINC000486794045 564666606 /nfs/dbraw/zinc/66/66/06/564666606.db2.gz LDBYZTVMVAEDAY-CMPLNLGQSA-N 1 0 379.810 2.837 20 0 GFADRO O=C(Cn1cc(Br)cn1)N(CC[NH+]1CCCC1)c1ccccc1 ZINC000523545365 564669312 /nfs/dbraw/zinc/66/93/12/564669312.db2.gz YOUYFEGXCLOLNS-UHFFFAOYSA-N 1 0 377.286 2.775 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)c1cc(Br)co1 ZINC000457681113 564669366 /nfs/dbraw/zinc/66/93/66/564669366.db2.gz HQKRSEMYATUAPZ-GDBMZVCRSA-N 1 0 393.281 2.655 20 0 GFADRO C[C@H](CC[NH+](C)C)NC(=O)N[C@H]1CCN(c2ccccc2Br)C1 ZINC000523600943 564669991 /nfs/dbraw/zinc/66/99/91/564669991.db2.gz NJXXOIFEUPKJGW-KGLIPLIRSA-N 1 0 383.334 2.667 20 0 GFADRO CC[C@H](NC(=O)NCC[N@H+](CC)CCO)c1cc(F)cc(Br)c1 ZINC000487022590 564672418 /nfs/dbraw/zinc/67/24/18/564672418.db2.gz WIRVAGIXJVFEID-HNNXBMFYSA-N 1 0 390.297 2.653 20 0 GFADRO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)C(=O)CS(=O)(=O)C(C)(C)C)C2)s1 ZINC000552002632 564672776 /nfs/dbraw/zinc/67/27/76/564672776.db2.gz XFMRIKMAGKOMDC-HNNXBMFYSA-N 1 0 386.583 2.550 20 0 GFADRO CCO[C@H]1C[C@]([NH3+])(C(=O)NCCNc2cccc(Br)c2)C1(C)C ZINC000574450662 564674020 /nfs/dbraw/zinc/67/40/20/564674020.db2.gz VNCWUNSHSVKWCN-YOEHRIQHSA-N 1 0 384.318 2.510 20 0 GFADRO CC[C@@H](NC(=O)NC[C@@](C)(O)C[NH+](C)C)c1cc(F)cc(Br)c1 ZINC000487068677 564674847 /nfs/dbraw/zinc/67/48/47/564674847.db2.gz QYQIPLHYFUIELW-GDBMZVCRSA-N 1 0 390.297 2.651 20 0 GFADRO C[C@@H](CCc1ccc(F)cc1F)[NH2+]C[C@@H](O)CS(=O)(=O)c1cccs1 ZINC000552063676 564675485 /nfs/dbraw/zinc/67/54/85/564675485.db2.gz IDXWZDDMRLAUFP-SWLSCSKDSA-N 1 0 389.489 2.772 20 0 GFADRO C[C@@H](Cc1ccc(Br)cc1)NC(=O)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000457867508 564676173 /nfs/dbraw/zinc/67/61/73/564676173.db2.gz HGXSDTUUTDXCFS-WMLDXEAASA-N 1 0 398.345 2.526 20 0 GFADRO Cc1cc(CC[NH2+][C@@H](C)c2cc(S(N)(=O)=O)c(Cl)cc2Cl)on1 ZINC000552099976 564677426 /nfs/dbraw/zinc/67/74/26/564677426.db2.gz YZXXKWUNVGCXLQ-VIFPVBQESA-N 1 0 378.281 2.831 20 0 GFADRO Cc1ccccc1[C@@H]([NH3+])C(=O)N1CCN(c2ccc(Br)cn2)CC1 ZINC000574514833 564677676 /nfs/dbraw/zinc/67/76/76/564677676.db2.gz OQAIEQYANRPYNI-QGZVFWFLSA-N 1 0 389.297 2.501 20 0 GFADRO Cc1cc2cc(C(=O)N3CC[C@@H](N4CC[NH2+]CC4)C3)oc2c(Br)c1 ZINC000574569538 564680075 /nfs/dbraw/zinc/68/00/75/564680075.db2.gz USAGVVXEZULXEE-CQSZACIVSA-N 1 0 392.297 2.623 20 0 GFADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H](C)Oc1cc(Cl)cc(Cl)c1 ZINC000524351430 564680832 /nfs/dbraw/zinc/68/08/32/564680832.db2.gz ZZPDMZJUEIDQDV-WFASDCNBSA-N 1 0 375.296 2.988 20 0 GFADRO COc1cc(C)c(Br)cc1C(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000552191113 564681146 /nfs/dbraw/zinc/68/11/46/564681146.db2.gz SUMDAKJTVKJGGQ-AWEZNQCLSA-N 1 0 399.329 2.997 20 0 GFADRO CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)NCCc1cc(Cl)cc(Cl)c1 ZINC000552195669 564681625 /nfs/dbraw/zinc/68/16/25/564681625.db2.gz WDXXZTUJVMXFLM-INIZCTEOSA-N 1 0 386.323 2.643 20 0 GFADRO CO[C@H]1C[C@H]2C[C@@H]([NH2+]CCNS(=O)(=O)c3ccc(Cl)cc3C)C[C@H]2C1 ZINC000574630473 564681741 /nfs/dbraw/zinc/68/17/41/564681741.db2.gz XPBCEJUZCUWLBQ-MDBPOYHNSA-N 1 0 386.945 2.720 20 0 GFADRO CN(C)c1cccnc1C[NH2+]C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000574631702 564682562 /nfs/dbraw/zinc/68/25/62/564682562.db2.gz OQGNJTRACLAMLU-AWEZNQCLSA-N 1 0 398.276 2.579 20 0 GFADRO COC(=O)c1csc([C@@H](C)[NH2+]CCOc2ccc(S(C)(=O)=O)cc2)c1 ZINC000552247480 564682706 /nfs/dbraw/zinc/68/27/06/564682706.db2.gz QMNJQSUKDGKGLT-GFCCVEGCSA-N 1 0 383.491 2.668 20 0 GFADRO CCC[NH+]1CCC(NCCNS(=O)(=O)c2cccc(Cl)c2Cl)CC1 ZINC000552320802 564686277 /nfs/dbraw/zinc/68/62/77/564686277.db2.gz GJWZWWQAGNGDCD-UHFFFAOYSA-N 1 0 394.368 2.736 20 0 GFADRO C[C@@H]([NH2+]C[C@@H]1CCCCN1S(C)(=O)=O)c1ccc(F)cc1OC(F)F ZINC000552333861 564686572 /nfs/dbraw/zinc/68/65/72/564686572.db2.gz QRKOVSOTPJIRIE-YPMHNXCESA-N 1 0 380.432 2.892 20 0 GFADRO Cc1cc(Cl)ccc1S(=O)(=O)NCC[NH2+][C@@H]1[C@H]2CCCO[C@@H]2C1(C)C ZINC000552335676 564687018 /nfs/dbraw/zinc/68/70/18/564687018.db2.gz ZTIYIYWXEYKSQB-OIISXLGYSA-N 1 0 386.945 2.720 20 0 GFADRO CS(=O)(=O)N1CC[C@H]([NH2+][C@H]2CCC[C@@H]2c2cccc(C(F)(F)F)c2)C1 ZINC000574761542 564688021 /nfs/dbraw/zinc/68/80/21/564688021.db2.gz JPJSZVRLUNQTAJ-XHSDSOJGSA-N 1 0 376.444 2.965 20 0 GFADRO CC[NH+]1CCN(CC(=O)Nc2cc(Br)cc(OC(C)C)c2)CC1 ZINC000487457538 564688547 /nfs/dbraw/zinc/68/85/47/564688547.db2.gz CAEVWSHKZAHHOE-UHFFFAOYSA-N 1 0 384.318 2.812 20 0 GFADRO CSC[C@@H](CCO)NC(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000524901485 564690289 /nfs/dbraw/zinc/69/02/89/564690289.db2.gz CSNCISAHFPKZHA-QGZVFWFLSA-N 1 0 383.583 2.513 20 0 GFADRO COc1cc(C(=O)NCC[C@@H]2CCC[N@H+](C)C2)cc(OC)c1Br ZINC000458185711 564692904 /nfs/dbraw/zinc/69/29/04/564692904.db2.gz KIMXFCRKSFAOMC-LBPRGKRZSA-N 1 0 385.302 2.928 20 0 GFADRO C[C@H](CC[NH+](C)C)NC(=O)C(=O)NCC(C)(C)c1ccc(Cl)c(Cl)c1 ZINC000552501236 564693292 /nfs/dbraw/zinc/69/32/92/564693292.db2.gz SHFPKKJHWAMLHL-GFCCVEGCSA-N 1 0 388.339 2.844 20 0 GFADRO C[NH+](C)C1(CNC(=O)c2cc(Br)cnc2OCC2CC2)CCC1 ZINC000552493469 564693326 /nfs/dbraw/zinc/69/33/26/564693326.db2.gz RNULFGSHLHGITK-UHFFFAOYSA-N 1 0 382.302 2.847 20 0 GFADRO CC(=O)c1cc(Br)ccc1OCC(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000458207986 564693608 /nfs/dbraw/zinc/69/36/08/564693608.db2.gz JKANPYREHAOEFL-AWEZNQCLSA-N 1 0 397.313 2.879 20 0 GFADRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)c1ccc(Cl)c(NS(C)(=O)=O)c1 ZINC000525164696 564694189 /nfs/dbraw/zinc/69/41/89/564694189.db2.gz LTWHIJOMSBOFCS-AWEZNQCLSA-N 1 0 387.933 2.658 20 0 GFADRO C[N@@H+]1CCC[C@H](CCNC(=O)C(C)(C)S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000458212253 564694406 /nfs/dbraw/zinc/69/44/06/564694406.db2.gz RJKYHDASRBSQBG-CQSZACIVSA-N 1 0 386.945 2.740 20 0 GFADRO COCCN(Cc1sccc1Br)C(=O)[C@@H]1C[N@H+](C)C[C@H]1C ZINC000487706868 564694516 /nfs/dbraw/zinc/69/45/16/564694516.db2.gz ICGYUPHLIPBECL-VXGBXAGGSA-N 1 0 375.332 2.683 20 0 GFADRO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)NCc1c(C)cc(Br)cc1C ZINC000552543519 564695176 /nfs/dbraw/zinc/69/51/76/564695176.db2.gz FGVWNDKDZYZYQX-AWEZNQCLSA-N 1 0 398.345 2.529 20 0 GFADRO CN1CC[NH+](CCCCNC(=O)Nc2ccc(F)c(Br)c2)CC1 ZINC000525227773 564696890 /nfs/dbraw/zinc/69/68/90/564696890.db2.gz ACJKZOXAAPRQLK-UHFFFAOYSA-N 1 0 387.297 2.737 20 0 GFADRO Cc1cc(Cl)ccc1CN1CCN(C(=O)C[N@@H+](C)[C@H]2CCSC2)CC1 ZINC000552691134 564698259 /nfs/dbraw/zinc/69/82/59/564698259.db2.gz GGXXGUNZBVDLRI-SFHVURJKSA-N 1 0 381.973 2.730 20 0 GFADRO C[NH+](C)CC(C)(C)NC(=O)NCCOc1ncc(C(F)(F)F)cc1Cl ZINC000458441162 564701559 /nfs/dbraw/zinc/70/15/59/564701559.db2.gz VVYCUZGIZSQXGU-UHFFFAOYSA-N 1 0 382.814 2.772 20 0 GFADRO C[N@H+](CC(=O)N[C@H]1CCN(c2cccc(Br)c2)C1)[C@H]1CCSC1 ZINC000488166340 564705399 /nfs/dbraw/zinc/70/53/99/564705399.db2.gz IMKLRYVPZGEQLS-HOCLYGCPSA-N 1 0 398.370 2.581 20 0 GFADRO OCC[N@@H+](Cc1cccc(Br)c1)C[C@@H](O)COc1ccc(F)cc1 ZINC000488181850 564706669 /nfs/dbraw/zinc/70/66/69/564706669.db2.gz JTHQLTOYTULGHG-QGZVFWFLSA-N 1 0 398.272 2.822 20 0 GFADRO C[NH2+][C@H]1CCCN(C(=O)[C@@H](c2ccc(Br)cc2)N2CCCC2)C1 ZINC000576225557 564708134 /nfs/dbraw/zinc/70/81/34/564708134.db2.gz TUJJKEPLCLLNSD-DLBZAZTESA-N 1 0 380.330 2.796 20 0 GFADRO O=C(Nc1cc(-c2ccc(Br)s2)[nH]n1)[C@@H]1CC12CC[NH2+]CC2 ZINC000576223761 564708162 /nfs/dbraw/zinc/70/81/62/564708162.db2.gz LYQQFZDWIHTILM-VIFPVBQESA-N 1 0 381.299 3.229 20 0 GFADRO O[C@@H](C[NH2+]CCc1nccs1)COc1cc(F)cc(Br)c1 ZINC000576220451 564708302 /nfs/dbraw/zinc/70/83/02/564708302.db2.gz RDAAUHQECLJJCX-LBPRGKRZSA-N 1 0 375.263 2.617 20 0 GFADRO C[C@H]1C[C@@H]1C[N@@H+]1CCCN(S(=O)(=O)c2ccc(Br)s2)CC1 ZINC000488315885 564709181 /nfs/dbraw/zinc/70/91/81/564709181.db2.gz FKTUXYJWCMHDGM-NWDGAFQWSA-N 1 0 393.372 2.863 20 0 GFADRO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)NCCCc1ccc(Cl)cc1Cl ZINC000553094733 564709743 /nfs/dbraw/zinc/70/97/43/564709743.db2.gz PAWABFUENYAJPX-ZDUSSCGKSA-N 1 0 388.339 2.889 20 0 GFADRO C[C@H]1C[NH2+]CC[C@@H]1NS(=O)(=O)Cc1ccc(Cl)cc1Br ZINC000576279184 564711189 /nfs/dbraw/zinc/71/11/89/564711189.db2.gz LJAWZCOOYKMCMZ-ZANVPECISA-N 1 0 381.723 2.520 20 0 GFADRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)Cn1cc(Br)cn1 ZINC000488489274 564712157 /nfs/dbraw/zinc/71/21/57/564712157.db2.gz AJHNCSOCDKENAW-PBHICJAKSA-N 1 0 391.313 2.672 20 0 GFADRO C[C@@H](NC(=O)N[C@H]1CCC[N@H+](CCCO)C1)c1ccc(Br)s1 ZINC000458689748 564712317 /nfs/dbraw/zinc/71/23/17/564712317.db2.gz NVOKLCVIZCEUJP-NEPJUHHUSA-N 1 0 390.347 2.718 20 0 GFADRO C[C@H](NC(=O)NC[C@@H]1CCC[N@@H+]1CCCO)c1ccc(Br)s1 ZINC000458689686 564712629 /nfs/dbraw/zinc/71/26/29/564712629.db2.gz OPTFCNJDXLTCQA-RYUDHWBXSA-N 1 0 390.347 2.718 20 0 GFADRO O=C(NCc1cc(Cl)ccc1Br)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000576344473 564713039 /nfs/dbraw/zinc/71/30/39/564713039.db2.gz RCZKJGCYICBRGP-GFCCVEGCSA-N 1 0 398.692 2.549 20 0 GFADRO O=S(=O)(c1cnccc1C(F)(F)F)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000525950979 564713953 /nfs/dbraw/zinc/71/39/53/564713953.db2.gz SHUXAOMKGDLTOS-ZDUSSCGKSA-N 1 0 377.432 2.739 20 0 GFADRO Brc1cccc(C[N@H+](CCN2CCOCC2)C2CCOCC2)c1 ZINC000525973173 564714373 /nfs/dbraw/zinc/71/43/73/564714373.db2.gz RZZYRNWYINFHLU-UHFFFAOYSA-N 1 0 383.330 2.762 20 0 GFADRO C[C@@H]1[C@@H](CO)CC[N@@H+]1C[C@H](O)COc1ccc(Cl)cc1Br ZINC000488772205 564720194 /nfs/dbraw/zinc/72/01/94/564720194.db2.gz TUFCUBAKEKIBMM-WZRBSPASSA-N 1 0 378.694 2.545 20 0 GFADRO COc1cc(C[NH2+][C@H]2CCOC3(CCOCC3)C2)c(Br)cc1O ZINC000553539743 564725006 /nfs/dbraw/zinc/72/50/06/564725006.db2.gz UHHPSKLLKVXJJE-ZDUSSCGKSA-N 1 0 386.286 2.981 20 0 GFADRO O=C(NC/C=C\c1ccc(Br)cc1)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000458965399 564726481 /nfs/dbraw/zinc/72/64/81/564726481.db2.gz GASNOWWKVFKJEC-VGOKWCNXSA-N 1 0 396.329 2.608 20 0 GFADRO O=C(NC/C=C/c1ccc(Br)cc1)NC[C@@H]1CCC[N@H+]1CCCO ZINC000458979238 564727430 /nfs/dbraw/zinc/72/74/30/564727430.db2.gz QSRZWPTVXWNEDN-XMUUHYKESA-N 1 0 396.329 2.608 20 0 GFADRO O=C(NC/C=C\c1ccc(Br)cc1)NC[C@@H]1CCC[N@H+]1CCCO ZINC000458979236 564727550 /nfs/dbraw/zinc/72/75/50/564727550.db2.gz QSRZWPTVXWNEDN-DVZSUYKVSA-N 1 0 396.329 2.608 20 0 GFADRO CCN(CCC[NH+](C)C)C(=O)[C@H]1CCN(c2ccccc2Br)C1=O ZINC000527058700 564729253 /nfs/dbraw/zinc/72/92/53/564729253.db2.gz YIAULMZCEFWKBG-CQSZACIVSA-N 1 0 396.329 2.602 20 0 GFADRO OC[C@H](Cc1ccc(O)cc1)[NH2+]C[C@@H](O)COc1cc(Cl)ccc1Cl ZINC000577221503 564729539 /nfs/dbraw/zinc/72/95/39/564729539.db2.gz RKSAWMSAFXHECC-GOEBONIOSA-N 1 0 386.275 2.632 20 0 GFADRO O=S(=O)(c1cnccc1C(F)(F)F)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000527192798 564733748 /nfs/dbraw/zinc/73/37/48/564733748.db2.gz VTNRFJYIVAIDJT-ZDUSSCGKSA-N 1 0 377.432 2.597 20 0 GFADRO C[C@@H](C[NH2+]Cc1ccc(OC(F)(F)F)c(Br)c1)S(C)(=O)=O ZINC000527232446 564734628 /nfs/dbraw/zinc/73/46/28/564734628.db2.gz YITBBIGOMQBRKK-QMMMGPOBSA-N 1 0 390.221 2.870 20 0 GFADRO CCn1ccnc1C[NH2+]C[C@H](CO)Cc1cc(Br)ccc1OC ZINC000577339704 564734691 /nfs/dbraw/zinc/73/46/91/564734691.db2.gz BBAUGBHZXSUGOO-CYBMUJFWSA-N 1 0 382.302 2.615 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)N1CCc2cc(Br)cc(F)c2C1 ZINC000527223873 564734791 /nfs/dbraw/zinc/73/47/91/564734791.db2.gz GQKDVACXEZYMOU-CYBMUJFWSA-N 1 0 382.277 2.893 20 0 GFADRO CCN(CCC[NH+](C)C)C(=O)NCc1nc2c(cccc2Br)[nH]1 ZINC000459211307 564736564 /nfs/dbraw/zinc/73/65/64/564736564.db2.gz LYMZQLFBPJUBAL-UHFFFAOYSA-N 1 0 382.306 2.809 20 0 GFADRO O=C(NC[C@H]1C[NH2+]CCCO1)C1(c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000577600817 564737181 /nfs/dbraw/zinc/73/71/81/564737181.db2.gz MOXNRUOMXMLLAH-GFCCVEGCSA-N 1 0 376.806 2.885 20 0 GFADRO C[NH+](C)CCN(Cc1ccsc1)C(=O)Nc1ccc(S(C)(=O)=O)cc1 ZINC000459303037 564738278 /nfs/dbraw/zinc/73/82/78/564738278.db2.gz NZQMDEJIYBGZNN-UHFFFAOYSA-N 1 0 381.523 2.747 20 0 GFADRO C[C@@H](CNC(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1)Oc1ccc(Br)cc1 ZINC000489393492 564738946 /nfs/dbraw/zinc/73/89/46/564738946.db2.gz CUOHVZFVDGEHCC-KBXCAEBGSA-N 1 0 396.329 2.954 20 0 GFADRO Cc1csc(C(=O)NC[C@H](C)[NH+]2CCCC2)c1I ZINC000527312540 564738968 /nfs/dbraw/zinc/73/89/68/564738968.db2.gz HLYSGKAZQIBETK-JTQLQIEISA-N 1 0 378.279 2.875 20 0 GFADRO CCOc1cc(CN2CC[N@H+](CCOC)[C@@H](C)C2)cc(Br)c1O ZINC000459331621 564739900 /nfs/dbraw/zinc/73/99/00/564739900.db2.gz DSIVEKFPFNBZLL-ZDUSSCGKSA-N 1 0 387.318 2.706 20 0 GFADRO CC(C)O[C@@H]1CC[N@H+](C[C@@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000578067306 564740212 /nfs/dbraw/zinc/74/02/12/564740212.db2.gz GWMRTPSRNSHGDD-HUUCEWRRSA-N 1 0 376.266 2.827 20 0 GFADRO O=C(c1ccn(-c2cccc(Br)c2)n1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000578063579 564740513 /nfs/dbraw/zinc/74/05/13/564740513.db2.gz LLPKXFDQQVAQAZ-GOSISDBHSA-N 1 0 389.297 2.851 20 0 GFADRO O=C(NCC[NH2+]Cc1cnc(C2CC2)nc1)c1ccc(Br)cc1 ZINC000459368264 564741197 /nfs/dbraw/zinc/74/11/97/564741197.db2.gz GHWCYBXETUDBDC-UHFFFAOYSA-N 1 0 375.270 2.636 20 0 GFADRO C[N@H+](CCn1cc(Cl)cn1)C[C@@H](O)COc1ccccc1C(F)(F)F ZINC000459380805 564742274 /nfs/dbraw/zinc/74/22/74/564742274.db2.gz TZVSOBBOTYGHFK-CYBMUJFWSA-N 1 0 377.794 2.927 20 0 GFADRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(S(=O)(=O)N(CC)CC)cc2)[C@H]1SC ZINC000459385289 564742329 /nfs/dbraw/zinc/74/23/29/564742329.db2.gz XFPQCTDSGNOXHY-KZNAEPCWSA-N 1 0 386.583 2.716 20 0 GFADRO Oc1cccc(CNC[C@@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)c1Br ZINC000459463972 564745512 /nfs/dbraw/zinc/74/55/12/564745512.db2.gz WIGDTPBAZNTEQV-IRXDYDNUSA-N 1 0 391.309 2.880 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)c2cc(-c3ccc(Cl)s3)on2)CC12CCOCC2 ZINC000579472843 564748234 /nfs/dbraw/zinc/74/82/34/564748234.db2.gz RVOKWHCQHGEHJF-NSHDSACASA-N 1 0 381.885 2.884 20 0 GFADRO COc1ccc(Cl)c(S(=O)(=O)NCC(C)(C)[NH+]2CCC(OC)CC2)c1 ZINC000489690401 564749465 /nfs/dbraw/zinc/74/94/65/564749465.db2.gz VDZZZNSKRSAQRY-UHFFFAOYSA-N 1 0 390.933 2.516 20 0 GFADRO C[C@H](Cc1ccc(Br)c(F)c1)[NH2+]C[C@@H]1CCCS(=O)(=O)C1 ZINC000554088516 564750357 /nfs/dbraw/zinc/75/03/57/564750357.db2.gz LTSSSVAVAPQAHJ-YPMHNXCESA-N 1 0 378.307 2.934 20 0 GFADRO O[C@H](C[NH2+][C@H]1CCO[C@@H](C(F)(F)F)C1)COc1ccccc1Br ZINC000554108667 564751141 /nfs/dbraw/zinc/75/11/41/564751141.db2.gz GLXCIZVQVFUPDH-MISXGVKJSA-N 1 0 398.219 2.888 20 0 GFADRO COC(=O)Cc1csc(NC(=O)CN2Cc3sccc3CC2(C)C)n1 ZINC000459583349 564751344 /nfs/dbraw/zinc/75/13/44/564751344.db2.gz OZNGKVZUMARQII-UHFFFAOYSA-N 1 0 379.507 2.696 20 0 GFADRO CC(C)(C)OC(=O)[C@@]1(C)CCN(CC(=O)Nc2ccc(Br)cn2)C1 ZINC000459580063 564751413 /nfs/dbraw/zinc/75/14/13/564751413.db2.gz JQUHYVBQTKCKGQ-KRWDZBQOSA-N 1 0 398.301 2.836 20 0 GFADRO CC[C@H]1C[N@H+](C)CCCN1S(=O)(=O)c1cccc(OC(F)(F)F)c1F ZINC000489802201 564753771 /nfs/dbraw/zinc/75/37/71/564753771.db2.gz KEZNFEWLSVYCQC-NSHDSACASA-N 1 0 384.395 2.829 20 0 GFADRO CCC[N@H+](CC)C[C@@H](C)NC(=O)C(=O)Nc1cc(Br)ccc1C ZINC000580305943 564755217 /nfs/dbraw/zinc/75/52/17/564755217.db2.gz CEQFLLFJPBLTFP-CYBMUJFWSA-N 1 0 384.318 2.933 20 0 GFADRO CCOC1CC(O)(C[NH2+]Cc2c[nH]nc2-c2ccc(Br)s2)C1 ZINC000527699185 564756322 /nfs/dbraw/zinc/75/63/22/564756322.db2.gz GPAGCDJZAWVQPH-UHFFFAOYSA-N 1 0 386.315 2.920 20 0 GFADRO C[C@H]([NH2+]Cc1ncc(Br)cc1F)[C@H](O)c1ccc2c(c1)OCO2 ZINC000527698653 564756628 /nfs/dbraw/zinc/75/66/28/564756628.db2.gz AXVWDAPQLNOYCG-FVMDXXJSSA-N 1 0 383.217 2.924 20 0 GFADRO CC1(C)Cc2ccc(Br)cc2[C@@H]1NC(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000554298400 564757000 /nfs/dbraw/zinc/75/70/00/564757000.db2.gz BMVQBBKQQRMKGI-IRXDYDNUSA-N 1 0 392.341 2.579 20 0 GFADRO COc1cc(C[NH2+]C[C@H]2CCCCN2S(C)(=O)=O)cc(C(F)(F)F)c1 ZINC000527710122 564757362 /nfs/dbraw/zinc/75/73/62/564757362.db2.gz WANDKMJWTBXYHP-CQSZACIVSA-N 1 0 380.432 2.618 20 0 GFADRO C[C@H](C(=O)NC(=O)NCC(F)(F)F)[N@@H+]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000554365051 564758395 /nfs/dbraw/zinc/75/83/95/564758395.db2.gz XZNNRFIXKZADPJ-ZYHUDNBSSA-N 1 0 377.794 2.906 20 0 GFADRO Cc1cc(C[NH2+]C[C@H](O)COc2ccc(Cl)cc2Br)n(C)n1 ZINC000580436591 564758472 /nfs/dbraw/zinc/75/84/72/564758472.db2.gz DJAQNNGOWXFPOH-ZDUSSCGKSA-N 1 0 388.693 2.674 20 0 GFADRO O=S(=O)(c1ccc(Cl)cc1Br)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000490002391 564759239 /nfs/dbraw/zinc/75/92/39/564759239.db2.gz DYRRWTYGTPNQOF-CQSZACIVSA-N 1 0 393.734 2.867 20 0 GFADRO COc1cc(C[NH2+][C@@]2(CO)COc3ccccc3C2)cc(Br)c1O ZINC000527769171 564760358 /nfs/dbraw/zinc/76/03/58/564760358.db2.gz XGCHQMZHRHUYKC-SFHVURJKSA-N 1 0 394.265 2.619 20 0 GFADRO O=C(CN1C[C@@H]2C[C@H]1CS2)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000459793581 564760729 /nfs/dbraw/zinc/76/07/29/564760729.db2.gz LEPDJBUVPMDBIQ-MPGHIAIKSA-N 1 0 379.957 2.783 20 0 GFADRO COC(=O)c1cc(C[NH2+][C@@H]2CCO[C@H]2c2cncc(Br)c2)cn1C ZINC000459778015 564760960 /nfs/dbraw/zinc/76/09/60/564760960.db2.gz YYLKEEPNYHPCKW-ZBFHGGJFSA-N 1 0 394.269 2.589 20 0 GFADRO COc1ccc(C[N@@H+]2CCCN(C(=O)[C@H]3C[C@@]3(C)Br)CC2)cc1 ZINC000527795382 564761638 /nfs/dbraw/zinc/76/16/38/564761638.db2.gz MVKCBANUJNLICR-SJLPKXTDSA-N 1 0 381.314 2.903 20 0 GFADRO CN1CC[N@H+](CCCNC(=O)[C@@H]2C[C@]2(C)Br)[C@@H](c2ccccc2)C1 ZINC000527898427 564764270 /nfs/dbraw/zinc/76/42/70/564764270.db2.gz OSTBEDQDBAWDPS-SCTDSRPQSA-N 1 0 394.357 2.655 20 0 GFADRO C[C@@H]([NH2+]C[C@]1(CO)COCC2(CCC2)N1C)c1ccc(Br)cc1 ZINC000527945087 564765198 /nfs/dbraw/zinc/76/51/98/564765198.db2.gz FOPMFBRRGZMVRX-KDOFPFPSSA-N 1 0 383.330 2.716 20 0 GFADRO CC(C)[N@H+](C)C[C@H](O)CSc1nnc(COc2ccc(Cl)cc2)n1C ZINC000580580656 564765824 /nfs/dbraw/zinc/76/58/24/564765824.db2.gz DXWCTKUJDQFIRC-AWEZNQCLSA-N 1 0 384.933 2.841 20 0 GFADRO CC(C)[NH+]1CCC(C(=O)N(CCO)Cc2cccc(Br)c2)CC1 ZINC000490220877 564766406 /nfs/dbraw/zinc/76/64/06/564766406.db2.gz DGCUBLNAVFLCSU-UHFFFAOYSA-N 1 0 383.330 2.890 20 0 GFADRO [NH3+][C@H]1CCc2ncc(NC(=O)c3n[nH]c(C4CC4)c3Br)cc2C1 ZINC000580715760 564770991 /nfs/dbraw/zinc/77/09/91/564770991.db2.gz UWDGIKFZUOGWND-JTQLQIEISA-N 1 0 376.258 2.513 20 0 GFADRO O=C(CC[C@H]1CC[NH2+]C1)NC1(c2cccc(Br)c2)CCOCC1 ZINC000580715062 564771164 /nfs/dbraw/zinc/77/11/64/564771164.db2.gz ZMEBKBCASMUOCF-AWEZNQCLSA-N 1 0 381.314 2.961 20 0 GFADRO C[C@@H]([NH2+]C[C@H]1CCCCS1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000554812781 564774864 /nfs/dbraw/zinc/77/48/64/564774864.db2.gz GVUSLFKZRBCEIP-NVXWUHKLSA-N 1 0 384.567 2.644 20 0 GFADRO CN(C(=O)[C@H]1C[C@]1(C)Br)C1CC[NH+](CCc2ccccn2)CC1 ZINC000528328424 564777986 /nfs/dbraw/zinc/77/79/86/564777986.db2.gz SFLHOKBHXIZVHB-AEFFLSMTSA-N 1 0 380.330 2.720 20 0 GFADRO C[N@H+](CCNC(=O)NC[C@H]1CCN(c2cccc(Br)c2)C1)C1CC1 ZINC000490921645 564783485 /nfs/dbraw/zinc/78/34/85/564783485.db2.gz KYTDJQQFBIJLIC-CQSZACIVSA-N 1 0 395.345 2.669 20 0 GFADRO O[C@@H](C[NH2+]CCCNc1ccccn1)COc1ccc(Br)cc1 ZINC000581066667 564785857 /nfs/dbraw/zinc/78/58/57/564785857.db2.gz HZTUHHFNOSVZCR-HNNXBMFYSA-N 1 0 380.286 2.676 20 0 GFADRO CCS(=O)(=O)c1ccccc1C(=O)Nc1ncc(C2CC[NH2+]CC2)s1 ZINC000581125766 564788525 /nfs/dbraw/zinc/78/85/25/564788525.db2.gz DBTOCLZOLQCUIN-UHFFFAOYSA-N 1 0 379.507 2.656 20 0 GFADRO O=C(NCC[NH+]1CCCCC1)N[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000491207309 564788907 /nfs/dbraw/zinc/78/89/07/564788907.db2.gz KBYHTDAXVPRIEL-INIZCTEOSA-N 1 0 395.345 2.813 20 0 GFADRO COc1cc(CNC[C@H](C)C[NH+](C)C)cc(I)c1OC ZINC000491545857 564792808 /nfs/dbraw/zinc/79/28/08/564792808.db2.gz LIQVTOPWZZEQRW-NSHDSACASA-N 1 0 392.281 2.596 20 0 GFADRO O=S(=O)(NC[C@H]1CC[N@@H+]1C1CCCC1)c1ccc(F)cc1Br ZINC000528545752 564793006 /nfs/dbraw/zinc/79/30/06/564793006.db2.gz HJZWWSNPJLQPEP-CYBMUJFWSA-N 1 0 391.306 2.883 20 0 GFADRO CC[C@H]1CN(C(=O)c2cc(C)cc(C)c2Br)CC[N@@H+]1C[C@H](C)O ZINC000461333731 564793712 /nfs/dbraw/zinc/79/37/12/564793712.db2.gz RDQRABZDWISDMK-GJZGRUSLSA-N 1 0 383.330 2.983 20 0 GFADRO CCCC[N@@H+]1CCCC[C@@H]1CNS(=O)(=O)c1ccc(Br)o1 ZINC000581242997 564794292 /nfs/dbraw/zinc/79/42/92/564794292.db2.gz YOKSVZLENUWRNI-GFCCVEGCSA-N 1 0 379.320 2.975 20 0 GFADRO COc1cc(Br)c(C[NH2+][C@@H](CCO)C2CCOCC2)cc1OC ZINC000461359158 564794981 /nfs/dbraw/zinc/79/49/81/564794981.db2.gz BCSXMBGERXUEAK-HNNXBMFYSA-N 1 0 388.302 2.734 20 0 GFADRO C[N@H+](CCNC(=O)N1CCO[C@H](c2cccc(Br)c2)C1)C1CC1 ZINC000491837897 564795607 /nfs/dbraw/zinc/79/56/07/564795607.db2.gz OIEDZZUYNCFCPN-INIZCTEOSA-N 1 0 382.302 2.626 20 0 GFADRO Cc1cc(Br)cc2c1[C@@H]([NH2+][C@H]1CCCN(S(C)(=O)=O)C1)CC2 ZINC000492050665 564797796 /nfs/dbraw/zinc/79/77/96/564797796.db2.gz UAZASEMFJMMFJT-GJZGRUSLSA-N 1 0 387.343 2.758 20 0 GFADRO CC[C@H](C(=O)N(C)[C@H](C(N)=O)c1cccc(Br)c1)[NH+](CC)CC ZINC000461491628 564798728 /nfs/dbraw/zinc/79/87/28/564798728.db2.gz WKNAJIODUUHELH-CABCVRRESA-N 1 0 384.318 2.554 20 0 GFADRO COCCO[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CCc2cccc(Br)c2C1 ZINC000555577792 564798975 /nfs/dbraw/zinc/79/89/75/564798975.db2.gz SJXUJQIWVCLXMM-FHLIZLRMSA-N 1 0 384.314 2.717 20 0 GFADRO CCC(CC)(C[NH3+])C(=O)N[C@H]1CCN(c2ccc(Br)c(C)c2)C1=O ZINC000581371061 564799839 /nfs/dbraw/zinc/79/98/39/564799839.db2.gz LXKAZAYWKBBAGU-HNNXBMFYSA-N 1 0 396.329 2.744 20 0 GFADRO CC[NH+](CC)CCNC(=O)C(=O)N(Cc1cccs1)Cc1cccs1 ZINC000555638944 564800362 /nfs/dbraw/zinc/80/03/62/564800362.db2.gz ISTIQBNLZZRPPW-UHFFFAOYSA-N 1 0 379.551 2.796 20 0 GFADRO O=C(NC[C@@H]1COCC[NH2+]1)Nc1ccc(C(F)(F)F)cc1Br ZINC000528686317 564800892 /nfs/dbraw/zinc/80/08/92/564800892.db2.gz MPZAENJMAJFTPB-SECBINFHSA-N 1 0 382.180 2.578 20 0 GFADRO O=C(NCC[C@H]1CCC[NH2+]C1)c1cn(-c2ccc(Br)cc2)cn1 ZINC000581424085 564801321 /nfs/dbraw/zinc/80/13/21/564801321.db2.gz SYFUEZSTOBNDHQ-CYBMUJFWSA-N 1 0 377.286 2.754 20 0 GFADRO CSC[C@H](C)NC(=O)C(=O)NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000555666981 564801824 /nfs/dbraw/zinc/80/18/24/564801824.db2.gz DRQJCZKPUQCVNB-GJZGRUSLSA-N 1 0 383.583 2.505 20 0 GFADRO Cc1cccc(CC(=O)N2CC[NH+](C3CCOCC3)CC2)c1Br ZINC000528756510 564803028 /nfs/dbraw/zinc/80/30/28/564803028.db2.gz AHPVKQWAERCPRE-UHFFFAOYSA-N 1 0 381.314 2.623 20 0 GFADRO COc1cc(Br)cc(S(=O)(=O)N[C@@H]2C[C@@H](C)n3ccnc32)c1 ZINC000581470184 564803642 /nfs/dbraw/zinc/80/36/42/564803642.db2.gz OQXUVRIWRJEWIZ-NOZJJQNGSA-N 1 0 386.271 2.639 20 0 GFADRO C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[NH2+]C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000528761497 564803837 /nfs/dbraw/zinc/80/38/37/564803837.db2.gz YWWGILUDQSHHHL-LRXDAGSUSA-N 1 0 376.266 2.729 20 0 GFADRO CCCC[N@H+](C)C[C@H](C)NC(=O)N[C@H](CO)c1ccc(Br)cc1 ZINC000461794973 564804805 /nfs/dbraw/zinc/80/48/05/564804805.db2.gz JGCSMTRSEFLDJG-XJKSGUPXSA-N 1 0 386.334 2.902 20 0 GFADRO CCCC[N@H+](C)C[C@H](C)NC(=O)N[C@@H](CO)c1ccc(Br)cc1 ZINC000461794972 564805229 /nfs/dbraw/zinc/80/52/29/564805229.db2.gz JGCSMTRSEFLDJG-BBRMVZONSA-N 1 0 386.334 2.902 20 0 GFADRO O=S1(=O)CCC[C@@H](C[NH2+]Cc2cc(Cl)ccc2OC[C@@H]2CCCO2)C1 ZINC000581511350 564805451 /nfs/dbraw/zinc/80/54/51/564805451.db2.gz IQQZRZCEQBBZQT-YOEHRIQHSA-N 1 0 387.929 2.812 20 0 GFADRO O=S1(=O)CCC[C@H](C[NH2+]Cc2cc(Cl)ccc2OC[C@H]2CCCO2)C1 ZINC000581511348 564805460 /nfs/dbraw/zinc/80/54/60/564805460.db2.gz IQQZRZCEQBBZQT-RHSMWYFYSA-N 1 0 387.929 2.812 20 0 GFADRO O=S(=O)(N[C@@H]1C[C@H]1C1CC[NH2+]CC1)c1cccc(Br)c1Cl ZINC000461900917 564807489 /nfs/dbraw/zinc/80/74/89/564807489.db2.gz HMMMOLVZJINCLG-CMPLNLGQSA-N 1 0 393.734 2.769 20 0 GFADRO C[NH+](C)CC[C@H](NC(=O)C(=O)NCc1ccc(Br)cc1)C(C)(C)C ZINC000555912680 564807897 /nfs/dbraw/zinc/80/78/97/564807897.db2.gz MBQRPUVOORAJIK-HNNXBMFYSA-N 1 0 398.345 2.548 20 0 GFADRO O[C@H](C[NH2+]C[C@@H]1COc2ccccc2O1)COc1ccc(Br)cc1 ZINC000555888791 564807999 /nfs/dbraw/zinc/80/79/99/564807999.db2.gz AWXXUMBQPFDRRD-GDBMZVCRSA-N 1 0 394.265 2.618 20 0 GFADRO CCCC[NH+]1CCC(NC(=O)C(=O)NCc2cccc(Cl)c2Cl)CC1 ZINC000555939840 564808845 /nfs/dbraw/zinc/80/88/45/564808845.db2.gz AKMJIUVTOHTRAB-UHFFFAOYSA-N 1 0 386.323 2.990 20 0 GFADRO CC[NH+](CC)CCS(=O)(=O)N[C@H](C)c1noc(-c2ccc(Cl)cc2)n1 ZINC000555947894 564809669 /nfs/dbraw/zinc/80/96/69/564809669.db2.gz IQHSLQDZNCIRDT-GFCCVEGCSA-N 1 0 386.905 2.712 20 0 GFADRO C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCCC(=O)Nc1ccc(Br)cc1 ZINC000461973473 564809722 /nfs/dbraw/zinc/80/97/22/564809722.db2.gz MEPHHIDRWVBYAF-STQMWFEESA-N 1 0 382.302 2.767 20 0 GFADRO CCOCCOc1ccc(Br)cc1NC(=O)N(C)CC[NH+](C)C ZINC000493629232 564809872 /nfs/dbraw/zinc/80/98/72/564809872.db2.gz WBNCIVWLJMDORS-UHFFFAOYSA-N 1 0 388.306 2.890 20 0 GFADRO COc1ccc(S(=O)(=O)N2CCC([NH2+]CCSCC(C)C)CC2)cc1 ZINC000493739820 564810544 /nfs/dbraw/zinc/81/05/44/564810544.db2.gz YYGQMPAZYPHEPT-UHFFFAOYSA-N 1 0 386.583 2.827 20 0 GFADRO Cc1ccc2[nH]c(C[NH2+][C@@H](C)Cn3cc(Br)ccc3=O)nc2c1 ZINC000556261449 564816009 /nfs/dbraw/zinc/81/60/09/564816009.db2.gz RSJGVXRKWQZIBX-LBPRGKRZSA-N 1 0 375.270 2.974 20 0 GFADRO CC1(CNC(=O)c2ccc(-n3cc(Br)cn3)cc2)CC[NH2+]CC1 ZINC000581806591 564818589 /nfs/dbraw/zinc/81/85/89/564818589.db2.gz POLKRFKMAFXCAZ-UHFFFAOYSA-N 1 0 377.286 2.754 20 0 GFADRO CCOc1ncccc1C[NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000581808944 564818765 /nfs/dbraw/zinc/81/87/65/564818765.db2.gz BEPDCXFFANKBJY-OAHLLOKOSA-N 1 0 399.260 2.911 20 0 GFADRO CN(C1CC[NH+](C)CC1)S(=O)(=O)c1cccc(Br)c1Cl ZINC000556334539 564818867 /nfs/dbraw/zinc/81/88/67/564818867.db2.gz GAWGRBSCIUUHFH-UHFFFAOYSA-N 1 0 381.723 2.817 20 0 GFADRO C[C@H](CNS(=O)(=O)CCc1ccccc1Br)C[NH+]1CCCC1 ZINC000462103565 564819522 /nfs/dbraw/zinc/81/95/22/564819522.db2.gz PPEZGLPEQGPMAI-CQSZACIVSA-N 1 0 389.359 2.643 20 0 GFADRO CSC1(CNC(=O)[C@@H]2C[N@@H+](C(C)(C)C)C[C@H]2C(F)(F)F)CCOCC1 ZINC000556352997 564820590 /nfs/dbraw/zinc/82/05/90/564820590.db2.gz IVDMKRCJWICQDL-CHWSQXEVSA-N 1 0 382.492 2.924 20 0 GFADRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NS(=O)(=O)c1cccc(Br)c1Cl ZINC000556376590 564822939 /nfs/dbraw/zinc/82/29/39/564822939.db2.gz ZSIGUDAYAAWCJY-BXKDBHETSA-N 1 0 393.734 2.864 20 0 GFADRO Cc1c([C@H]2OCC[C@@H]2[NH2+]Cc2cccc(I)c2)cnn1C ZINC000556419015 564825300 /nfs/dbraw/zinc/82/53/00/564825300.db2.gz PHMWOANBTVUWOW-JKSUJKDBSA-N 1 0 397.260 2.953 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)Nc2ccc(I)cc2F)C1 ZINC000582014175 564826717 /nfs/dbraw/zinc/82/67/17/564826717.db2.gz JSFWSNYGILIIIW-BDAKNGLRSA-N 1 0 377.201 2.631 20 0 GFADRO O=C(N[C@H](c1cncc(Br)c1)C1CC1)N[C@@H]1CC[NH2+]C12CCC2 ZINC000529329040 564829062 /nfs/dbraw/zinc/82/90/62/564829062.db2.gz IZEXLTJTRVINEC-CABCVRRESA-N 1 0 379.302 2.879 20 0 GFADRO CC(C)[C@H]1C[NH2+]CCN1C(=O)NCc1cc(Br)cc2c1OCC2 ZINC000529321290 564829229 /nfs/dbraw/zinc/82/92/29/564829229.db2.gz HHTWISDLCIHQDC-OAHLLOKOSA-N 1 0 382.302 2.523 20 0 GFADRO O=C(N[C@@H]1CCN(c2cccc(Br)c2)C1)N[C@H]1CC[NH2+]C12CCC2 ZINC000529326492 564829250 /nfs/dbraw/zinc/82/92/50/564829250.db2.gz XEJVPNMCHVMRFB-ZBFHGGJFSA-N 1 0 393.329 2.612 20 0 GFADRO C[NH+](C)CCc1ccc(C(=O)NCCCn2cc(Br)cn2)cc1 ZINC000582071742 564829609 /nfs/dbraw/zinc/82/96/09/564829609.db2.gz BVSDYEMAKLNGMG-UHFFFAOYSA-N 1 0 379.302 2.570 20 0 GFADRO C[C@@H](NC(=O)NCc1cc(F)c(Br)cc1F)[C@@H]1CCC[NH2+]C1 ZINC000529334412 564829978 /nfs/dbraw/zinc/82/99/78/564829978.db2.gz WQRIKKZHNNPHQW-NXEZZACHSA-N 1 0 376.245 2.915 20 0 GFADRO CN(C(=O)N[C@@H]1CC[NH2+]C12CCC2)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000529352803 564830387 /nfs/dbraw/zinc/83/03/87/564830387.db2.gz UNEBPHISQMLTSQ-BZUAXINKSA-N 1 0 384.307 2.878 20 0 GFADRO O=C(N[C@@H](CO)C[NH+]1CCCCC1)[C@@H]1C[C@H]1c1csc(Br)c1 ZINC000529349713 564830515 /nfs/dbraw/zinc/83/05/15/564830515.db2.gz PELKVHHWIYENND-HZSPNIEDSA-N 1 0 387.343 2.577 20 0 GFADRO O=C(N[C@H]1CC[NH2+]C12CCC2)N1CCN(c2cccc(Br)c2)CC1 ZINC000529354789 564831395 /nfs/dbraw/zinc/83/13/95/564831395.db2.gz VCZFSSBCKSUUMQ-INIZCTEOSA-N 1 0 393.329 2.565 20 0 GFADRO CC[C@H]1CN(C(=O)NCc2ccc(Br)c(F)c2F)CC[C@@H]1[NH3+] ZINC000529369045 564832135 /nfs/dbraw/zinc/83/21/35/564832135.db2.gz GEBPVCYNHMSJNB-CABZTGNLSA-N 1 0 376.245 2.996 20 0 GFADRO CC[C@H]1CN(C(=O)NCc2cc(F)c(Br)cc2F)CC[C@H]1[NH3+] ZINC000529367992 564832202 /nfs/dbraw/zinc/83/22/02/564832202.db2.gz BYIRBISOCYVAGD-LKFCYVNXSA-N 1 0 376.245 2.996 20 0 GFADRO C[NH+](C)C[C@H](NC(=O)N1CCNC[C@@](C)(F)C1)c1ccc(Cl)c(Cl)c1 ZINC000529387965 564832905 /nfs/dbraw/zinc/83/29/05/564832905.db2.gz RDYXOQPQPZOFDL-DOTOQJQBSA-N 1 0 391.318 2.939 20 0 GFADRO Cc1nccc(NC(=O)N(CCC[NH3+])Cc2ccccc2)c1Br ZINC000582169600 564833891 /nfs/dbraw/zinc/83/38/91/564833891.db2.gz CAOLVEIULGJIIF-UHFFFAOYSA-N 1 0 377.286 2.957 20 0 GFADRO O=S(=O)(c1ccc(CC[NH2+]Cc2cncc(F)c2)s1)N1CCCCC1 ZINC000494591933 564834378 /nfs/dbraw/zinc/83/43/78/564834378.db2.gz MDQUTMOSCFAWKF-UHFFFAOYSA-N 1 0 383.514 2.789 20 0 GFADRO Cc1cc(Br)cc2c1[C@H]([NH2+]C[C@@H]1CC[C@@H](C(=O)N(C)C)O1)CC2 ZINC000494597413 564835175 /nfs/dbraw/zinc/83/51/75/564835175.db2.gz VOUXGSITRRGDKJ-XHSDSOJGSA-N 1 0 381.314 2.970 20 0 GFADRO C[C@@H]1C[N@H+](C)CCN1c1ccc(Br)cc1NC(=O)c1cccnn1 ZINC000529456209 564835867 /nfs/dbraw/zinc/83/58/67/564835867.db2.gz GDTLOFWXXZIEDK-GFCCVEGCSA-N 1 0 390.285 2.632 20 0 GFADRO C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]CCCNC(=O)c1cccc(Br)c1 ZINC000494631965 564836375 /nfs/dbraw/zinc/83/63/75/564836375.db2.gz KLDFUNOTZHKZNR-DYVFJYSZSA-N 1 0 380.330 2.641 20 0 GFADRO COc1cc(Br)c(C[NH2+]C2(CO)Cc3ccccc3C2)cc1O ZINC000494651629 564836492 /nfs/dbraw/zinc/83/64/92/564836492.db2.gz VRPKFQCTSHULMZ-UHFFFAOYSA-N 1 0 378.266 2.783 20 0 GFADRO NC(=O)[C@@H](Cc1ccc(F)cc1)[NH2+]Cc1cc(Br)cc2c1OCC2 ZINC000462376636 564836559 /nfs/dbraw/zinc/83/65/59/564836559.db2.gz RBEXITXAEDFPIL-MRXNPFEDSA-N 1 0 393.256 2.709 20 0 GFADRO O=C(NCC1([NH+]2CCSCC2)CCCC1)[C@@H](CO)c1ccc(Cl)cc1 ZINC000556782007 564840340 /nfs/dbraw/zinc/84/03/40/564840340.db2.gz NQGFNWSDMLFQNZ-KRWDZBQOSA-N 1 0 382.957 2.894 20 0 GFADRO O=C1C[C@@]2(CC[N@@H+](Cc3c[nH]nc3-c3ccc(Br)s3)C2)CN1 ZINC000529555320 564842328 /nfs/dbraw/zinc/84/23/28/564842328.db2.gz ODJNJENMSUFVOI-HNNXBMFYSA-N 1 0 381.299 2.613 20 0 GFADRO O=C([C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000494885509 564842501 /nfs/dbraw/zinc/84/25/01/564842501.db2.gz HPYYHZZGHLPSEH-FFSVYQOJSA-N 1 0 382.291 2.557 20 0 GFADRO O=C(C[NH2+]C1(c2ccc(Cl)c(Cl)c2)CC1)NC(=O)NCC(F)(F)F ZINC000582376837 564843312 /nfs/dbraw/zinc/84/33/12/564843312.db2.gz IAKQQXUINYFYNR-UHFFFAOYSA-N 1 0 384.185 2.960 20 0 GFADRO CCn1cc([C@@H]2NC(=O)CC[C@H]2[NH2+][C@H](C)c2cncc(Br)c2)cn1 ZINC000582371638 564843566 /nfs/dbraw/zinc/84/35/66/564843566.db2.gz GWWMRVYNOGTNGM-JGFGOQIWSA-N 1 0 392.301 2.731 20 0 GFADRO CC1(C)NC(=O)CC[C@@H]1[NH2+]C[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000494896555 564844082 /nfs/dbraw/zinc/84/40/82/564844082.db2.gz GZXIRLVSISVUHE-BBRMVZONSA-N 1 0 380.330 2.922 20 0 GFADRO COc1ccc(C[C@H](CO)C[NH2+]Cc2ccc(F)cn2)cc1Br ZINC000529595030 564844229 /nfs/dbraw/zinc/84/42/29/564844229.db2.gz HELRBPPCNWZKHB-ZDUSSCGKSA-N 1 0 383.261 2.933 20 0 GFADRO O=C([C@H]1CCC[N@@H+]1C1CC1)N1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000495105162 564849098 /nfs/dbraw/zinc/84/90/98/564849098.db2.gz RZHVPNNVOFGEJS-SJORKVTESA-N 1 0 379.298 2.976 20 0 GFADRO C[C@H]1C[C@@H]([NH3+])CCN1S(=O)(=O)c1cc(Cl)c(Br)cc1F ZINC000582494979 564849522 /nfs/dbraw/zinc/84/95/22/564849522.db2.gz RICHVUSEFMBAMF-YUMQZZPRSA-N 1 0 385.686 2.742 20 0 GFADRO Cc1nccc(NC(=O)N2CCCC[C@@H]2[C@H]2CCC[NH2+]C2)c1Br ZINC000556995398 564849857 /nfs/dbraw/zinc/84/98/57/564849857.db2.gz QHYONSXGDBHZOF-DZGCQCFKSA-N 1 0 381.318 2.960 20 0 GFADRO CC(=O)CSCC(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000495187146 564850780 /nfs/dbraw/zinc/85/07/80/564850780.db2.gz WZQJNLDXEMEORE-UHFFFAOYSA-N 1 0 387.343 2.662 20 0 GFADRO CC[C@]1(O)CC[N@H+](CCCOc2cccc(I)c2)C1 ZINC000495191251 564850879 /nfs/dbraw/zinc/85/08/79/564850879.db2.gz JNBFTDAPXZABOF-HNNXBMFYSA-N 1 0 375.250 2.907 20 0 GFADRO COc1cc(C(=O)N2CCC(C[NH+](C)C)CC2)cc(Br)c1OC ZINC000557057794 564852291 /nfs/dbraw/zinc/85/22/91/564852291.db2.gz NOFLVHKNCNXOLS-UHFFFAOYSA-N 1 0 385.302 2.880 20 0 GFADRO C[C@H]([NH2+]CCNc1cccc(Br)c1)c1cccc(S(N)(=O)=O)c1 ZINC000495421380 564853751 /nfs/dbraw/zinc/85/37/51/564853751.db2.gz QDTHJTDKLNMTRW-LBPRGKRZSA-N 1 0 398.326 2.859 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000582594198 564853810 /nfs/dbraw/zinc/85/38/10/564853810.db2.gz CBADGHCMPOIMKB-SFHVURJKSA-N 1 0 394.313 2.607 20 0 GFADRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1cc2c(c(Br)c1)OCO2 ZINC000557115820 564854196 /nfs/dbraw/zinc/85/41/96/564854196.db2.gz CVARWWJFQGXLKS-YPMHNXCESA-N 1 0 381.270 2.877 20 0 GFADRO CS[C@H]1CN(C(=O)c2cnn(-c3ccc(Cl)cc3)c2C)C[C@@H]1[NH+](C)C ZINC000495563808 564855790 /nfs/dbraw/zinc/85/57/90/564855790.db2.gz FHQMCEVDAVBUFO-IRXDYDNUSA-N 1 0 378.929 2.952 20 0 GFADRO CC(C)c1n[nH]c(C(=O)N2CCC(C)([NH+]3CCOCC3)CC2)c1Br ZINC000529912662 564856231 /nfs/dbraw/zinc/85/62/31/564856231.db2.gz AWLKSELRIBPFAS-UHFFFAOYSA-N 1 0 399.333 2.623 20 0 GFADRO CC1([NH+]2CCOCC2)CCN(C(=O)c2ccc(F)c(Br)c2)CC1 ZINC000529912825 564856315 /nfs/dbraw/zinc/85/63/15/564856315.db2.gz APFLATWEUFZAFH-UHFFFAOYSA-N 1 0 385.277 2.915 20 0 GFADRO CN(CC[C@@H]1CCCC[N@@H+]1C)S(=O)(=O)c1cccc(Br)c1 ZINC000462711842 564856525 /nfs/dbraw/zinc/85/65/25/564856525.db2.gz SPJIRGAPCHEOIV-AWEZNQCLSA-N 1 0 375.332 2.944 20 0 GFADRO CS[C@H]1CN(C(=O)Cc2cc(F)ccc2Br)C[C@H]1[NH+](C)C ZINC000495730716 564856538 /nfs/dbraw/zinc/85/65/38/564856538.db2.gz WIILLBMUOOAUSN-KGLIPLIRSA-N 1 0 375.307 2.635 20 0 GFADRO CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000557186039 564857513 /nfs/dbraw/zinc/85/75/13/564857513.db2.gz HJXYTEYUGCOFAR-GUSZCTEKSA-N 1 0 396.329 2.776 20 0 GFADRO Cc1cc(N2CC[C@H]([NH2+][C@@H]3CN(C4CC4)C[C@@H]3C)C2=O)ccc1Br ZINC000462841535 564859851 /nfs/dbraw/zinc/85/98/51/564859851.db2.gz PFUDMVHBPLGQFN-DOPJRALCSA-N 1 0 392.341 2.935 20 0 GFADRO CC1(C)[C@H](O)CC[N@@H+]1CCCOc1cccc(I)c1 ZINC000462872471 564861668 /nfs/dbraw/zinc/86/16/68/564861668.db2.gz FQXRIQIZXUVLSU-CQSZACIVSA-N 1 0 375.250 2.905 20 0 GFADRO Cc1cc(CC[NH2+]Cc2cnn([C@]3(C)CCS(=O)(=O)C3)c2)ccc1Cl ZINC000462915646 564863168 /nfs/dbraw/zinc/86/31/68/564863168.db2.gz XBSFNHDONXQRII-GOSISDBHSA-N 1 0 381.929 2.711 20 0 GFADRO C[C@@H](Cc1ccncc1)[NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000582840565 564864329 /nfs/dbraw/zinc/86/43/29/564864329.db2.gz BLNQTIMFTXGTSH-BLLLJJGKSA-N 1 0 383.261 2.944 20 0 GFADRO C[N@@H+]1CC[C@H]2CCN(C(=O)NCCOc3cccc(Br)c3)[C@H]2C1 ZINC000497397750 564866312 /nfs/dbraw/zinc/86/63/12/564866312.db2.gz UBQQSQVZPSBKOD-BBRMVZONSA-N 1 0 382.302 2.564 20 0 GFADRO C[C@@H]1[C@@H](c2ccc(Br)cc2)OCCN1CC[N@@H+]1CCCOCC1 ZINC000463113011 564870170 /nfs/dbraw/zinc/87/01/70/564870170.db2.gz NFUVSXATASWPOP-QAPCUYQASA-N 1 0 383.330 2.933 20 0 GFADRO COc1ccc(CN2CCC(CO[C@@H]3CC[NH2+]C3)CC2)c(Br)c1O ZINC000530248305 564872584 /nfs/dbraw/zinc/87/25/84/564872584.db2.gz IMZUJLHGGAYQED-OAHLLOKOSA-N 1 0 399.329 2.754 20 0 GFADRO C[C@H](NC[C@H]1COCC[NH2+]1)c1ccc(Br)cc1Br ZINC000530220157 564872663 /nfs/dbraw/zinc/87/26/63/564872663.db2.gz JGKCESCDTXOSHL-ONGXEEELSA-N 1 0 378.108 2.851 20 0 GFADRO C[C@@H]([NH2+]CCc1cnn(C)c1)c1ccc(Br)cc1OCCCO ZINC000463358023 564876357 /nfs/dbraw/zinc/87/63/57/564876357.db2.gz CLTNDEGWEQVCMA-CYBMUJFWSA-N 1 0 382.302 2.837 20 0 GFADRO CN(C)c1nccc(C[NH2+][C@@H]2CCN(c3cccc(Br)c3)C2)n1 ZINC000557791644 564876610 /nfs/dbraw/zinc/87/66/10/564876610.db2.gz IATRBDZGVJUHEH-OAHLLOKOSA-N 1 0 376.302 2.674 20 0 GFADRO C[C@H](CNC(=O)N1CC[C@@H]2CC[N@H+](C)C[C@H]21)Oc1ccccc1Br ZINC000497831739 564877211 /nfs/dbraw/zinc/87/72/11/564877211.db2.gz LFJIICVUSWESLB-IJEWVQPXSA-N 1 0 396.329 2.952 20 0 GFADRO COC1(C)CC[NH+](C[C@H](O)COc2cc(F)cc(Br)c2)CC1 ZINC000463369306 564877523 /nfs/dbraw/zinc/87/75/23/564877523.db2.gz RXDCTUKLGWJIDY-AWEZNQCLSA-N 1 0 376.266 2.829 20 0 GFADRO Cc1cc(NC(=O)C(=O)NCCC[N@@H+](C)C(C)C)c(F)cc1Br ZINC000497915049 564879382 /nfs/dbraw/zinc/87/93/82/564879382.db2.gz BSKTWYKIXBEJQG-UHFFFAOYSA-N 1 0 388.281 2.682 20 0 GFADRO CC[C@H](C)[C@H](NC(=O)C[N@H+](C)CCc1cccc(Br)c1)C(=O)OC ZINC000463415735 564880188 /nfs/dbraw/zinc/88/01/88/564880188.db2.gz RIJKUVMTSUCDII-GUYCJALGSA-N 1 0 399.329 2.627 20 0 GFADRO Cc1cc(N2CCC[C@@H]([NH2+]CCn3cccn3)C2=O)ccc1Br ZINC000463410446 564880427 /nfs/dbraw/zinc/88/04/27/564880427.db2.gz PMBYWJBJOUNJMR-MRXNPFEDSA-N 1 0 377.286 2.739 20 0 GFADRO COCCN(Cc1cc(Br)cs1)C(=O)[C@@H]1CCc2cncn2C1 ZINC000583265071 564883084 /nfs/dbraw/zinc/88/30/84/564883084.db2.gz DZLYRQAFUYGHAP-GFCCVEGCSA-N 1 0 398.326 2.945 20 0 GFADRO O[C@H](C[NH2+]CCc1cn2c(n1)CCCC2)COc1ccc(Br)cc1 ZINC000583258278 564883379 /nfs/dbraw/zinc/88/33/79/564883379.db2.gz QEEQWHVYVNGQKL-MRXNPFEDSA-N 1 0 394.313 2.554 20 0 GFADRO Cc1ccc(C[N@H+]2CC[C@H](CN(C)C(=O)[C@@H](C)N3CCSCC3)C2)s1 ZINC000558038048 564889951 /nfs/dbraw/zinc/88/99/51/564889951.db2.gz QINAIEQUWWMSTC-IAGOWNOFSA-N 1 0 381.611 2.774 20 0 GFADRO CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)[C@H]([NH3+])CC(F)F ZINC000498205101 564892180 /nfs/dbraw/zinc/89/21/80/564892180.db2.gz MGGQJOSIDIUGBR-SNVBAGLBSA-N 1 0 387.736 2.738 20 0 GFADRO CCOc1c(Br)cc(C[NH2+][C@@H]2CCC[C@@H]2C(=O)NC)cc1OC ZINC000498375977 564897516 /nfs/dbraw/zinc/89/75/16/564897516.db2.gz RTYYAPIQKFPKML-GXTWGEPZSA-N 1 0 385.302 2.861 20 0 GFADRO CC[NH+](CC)CCOC1CCN(S(=O)(=O)c2c(F)cccc2Cl)CC1 ZINC000464186031 564897624 /nfs/dbraw/zinc/89/76/24/564897624.db2.gz OGLPXOODPAQHAX-UHFFFAOYSA-N 1 0 392.924 2.991 20 0 GFADRO O=C(NCc1cc(Cl)ccc1Br)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O ZINC000583629309 564900502 /nfs/dbraw/zinc/90/05/02/564900502.db2.gz AHPXVNDRTWOGLR-CLYYMRHHSA-N 1 0 385.689 2.533 20 0 GFADRO CCC(=O)N[C@@H](CCSC)C(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000531066956 564900568 /nfs/dbraw/zinc/90/05/68/564900568.db2.gz QBLZGJWRAYRRRF-HOTGVXAUSA-N 1 0 385.961 2.707 20 0 GFADRO CC[N@@H+]1C[C@H](C)N(C(=O)c2ccc(I)c(F)c2)C[C@@H]1C ZINC000498556750 564902086 /nfs/dbraw/zinc/90/20/86/564902086.db2.gz RDGUPMZWBKFSBY-QWRGUYRKSA-N 1 0 390.240 2.985 20 0 GFADRO COc1cc(C[NH2+]CC2(CS(C)(=O)=O)CC2)ccc1OCC(F)(F)F ZINC000531206864 564903643 /nfs/dbraw/zinc/90/36/43/564903643.db2.gz KHLOYTKLMIFEJG-UHFFFAOYSA-N 1 0 381.416 2.551 20 0 GFADRO CN(C)S(=O)(=O)CC[NH2+]Cc1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000558493143 564904243 /nfs/dbraw/zinc/90/42/43/564904243.db2.gz SLTOKTOTCLTKCT-UHFFFAOYSA-N 1 0 376.400 2.946 20 0 GFADRO CN(C)S(=O)(=O)CC[NH2+]Cc1cccc(OCc2ccccc2Cl)c1 ZINC000558494914 564904714 /nfs/dbraw/zinc/90/47/14/564904714.db2.gz YXSGWSPTDRDMFR-UHFFFAOYSA-N 1 0 382.913 2.900 20 0 GFADRO CN(CCOc1ccc(Br)cc1)C(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000531245532 564904801 /nfs/dbraw/zinc/90/48/01/564904801.db2.gz VGCKLUIYJMAAJY-CQSZACIVSA-N 1 0 384.318 2.811 20 0 GFADRO CC(C)n1cc(Br)cc1C(=O)N(C)CCC[N@H+](C)CCN(C)C ZINC000583777200 564906938 /nfs/dbraw/zinc/90/69/38/564906938.db2.gz MYXKOJYFIQJVFR-UHFFFAOYSA-N 1 0 387.366 2.787 20 0 GFADRO C[C@H]1CC[N@H+](C)CCN1C(=O)c1cnn(-c2ccc(Br)cc2)c1 ZINC000498730143 564907066 /nfs/dbraw/zinc/90/70/66/564907066.db2.gz YEFSHVCNQGZABE-ZDUSSCGKSA-N 1 0 377.286 2.801 20 0 GFADRO OC[C@@H](C[NH2+]Cc1c[nH]c2nccnc12)Cc1ccc(Br)cc1 ZINC000558575887 564907191 /nfs/dbraw/zinc/90/71/91/564907191.db2.gz ZXYPQRUNBQTSDR-CYBMUJFWSA-N 1 0 375.270 2.613 20 0 GFADRO Cc1cc(N2CCC[C@H]([N@@H+]3C[C@@H]4CC[C@H](O)[C@H]4C3)C2=O)ccc1Br ZINC000464495345 564907830 /nfs/dbraw/zinc/90/78/30/564907830.db2.gz JRXQKSGDUSCWOY-IKICRFKJSA-N 1 0 393.325 2.956 20 0 GFADRO COc1c(Br)cc(C[NH2+][C@H]2COC[C@H]2OC)cc1Br ZINC000583798116 564908261 /nfs/dbraw/zinc/90/82/61/564908261.db2.gz KGJBRHIIIJLNLA-NWDGAFQWSA-N 1 0 395.091 2.724 20 0 GFADRO O=C(Cc1ccc(Br)c(F)c1)Nc1ccc(N2CC[NH2+]CC2)cn1 ZINC000583866390 564910753 /nfs/dbraw/zinc/91/07/53/564910753.db2.gz DTMBZGMVYFECQW-UHFFFAOYSA-N 1 0 393.260 2.574 20 0 GFADRO CC[NH+]1C[C@@H](C)N(C(=O)c2cc(Br)cc(C(=O)OC)c2)[C@H](C)C1 ZINC000464621840 564913277 /nfs/dbraw/zinc/91/32/77/564913277.db2.gz ULGINOFCQPMAOB-VXGBXAGGSA-N 1 0 383.286 2.790 20 0 GFADRO C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000583932328 564913699 /nfs/dbraw/zinc/91/36/99/564913699.db2.gz HHFVNRGJBOVGTE-LXZKKBNFSA-N 1 0 381.314 2.907 20 0 GFADRO Cc1ccc(F)c(NC(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)C2)c1Br ZINC000558841585 564915715 /nfs/dbraw/zinc/91/57/15/564915715.db2.gz RTWHTSHRRVWCPS-LBPRGKRZSA-N 1 0 398.276 2.532 20 0 GFADRO CC(C)c1ccc(Cl)c(S(=O)(=O)NC[C@H](O)C[NH+]2CCC(C)CC2)c1 ZINC000584008665 564915925 /nfs/dbraw/zinc/91/59/25/564915925.db2.gz AVEDQXNWOQLDMT-INIZCTEOSA-N 1 0 388.961 2.835 20 0 GFADRO Cc1cccc2ncc(C[NH2+]C[C@@H](O)COc3ccccc3Br)n21 ZINC000531702072 564918025 /nfs/dbraw/zinc/91/80/25/564918025.db2.gz SPOCQEHMLYFTEG-OAHLLOKOSA-N 1 0 390.281 2.935 20 0 GFADRO O=C(c1cc(F)ccc1I)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000584047830 564918121 /nfs/dbraw/zinc/91/81/21/564918121.db2.gz GUHMBRFMPGNMNG-OAHLLOKOSA-N 1 0 388.224 2.646 20 0 GFADRO C[C@H]([NH2+]CCNC(=O)c1cnccn1)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000531706490 564918131 /nfs/dbraw/zinc/91/81/31/564918131.db2.gz NRIHRICABAGQPG-RYUDHWBXSA-N 1 0 383.279 2.959 20 0 GFADRO C[C@H](NC(=O)C[N@@H+]1CCC[C@]2(CNC(=O)C2)C1)c1ccc(Cl)c(Cl)c1 ZINC000464796047 564918399 /nfs/dbraw/zinc/91/83/99/564918399.db2.gz UBSLJZVPKGMEFS-SGTLLEGYSA-N 1 0 384.307 2.773 20 0 GFADRO CN(Cc1cc(Br)cs1)C(=O)C[N@@H+]1CCC[C@H]2COCC[C@@H]21 ZINC000464862606 564919779 /nfs/dbraw/zinc/91/97/79/564919779.db2.gz XOTXXEGLGZLDMC-WFASDCNBSA-N 1 0 387.343 2.970 20 0 GFADRO C[N@@H+]1CCC[C@@]2(CCN(S(=O)(=O)Cc3cccc(Br)c3)C2)C1 ZINC000559132085 564922924 /nfs/dbraw/zinc/92/29/24/564922924.db2.gz NKPKPBAQASEFGU-MRXNPFEDSA-N 1 0 387.343 2.697 20 0 GFADRO O[C@@H](C[NH2+][C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1)COC1CCOCC1 ZINC000584168542 564923222 /nfs/dbraw/zinc/92/32/22/564923222.db2.gz ODSCZKVUOQYZBD-HIFRSBDPSA-N 1 0 389.323 2.718 20 0 GFADRO Cc1nc2ccccn2c1C[NH2+]C[C@@H](O)COc1ccccc1Br ZINC000531954614 564924837 /nfs/dbraw/zinc/92/48/37/564924837.db2.gz NQWKPGTZXXRDSE-CQSZACIVSA-N 1 0 390.281 2.935 20 0 GFADRO COc1cccc2c1CC[C@@H]2[NH2+]CCNS(=O)(=O)c1cccc(Cl)c1 ZINC000531952086 564924943 /nfs/dbraw/zinc/92/49/43/564924943.db2.gz JPSSLILQXUDKSS-KRWDZBQOSA-N 1 0 380.897 2.904 20 0 GFADRO C[C@@H]1CN(CCNC(=O)c2ccc(Br)c(C(F)(F)F)c2)CCO1 ZINC000532023375 564926989 /nfs/dbraw/zinc/92/69/89/564926989.db2.gz LHUAAOKTVWZDIB-SNVBAGLBSA-N 1 0 395.219 2.918 20 0 GFADRO C[C@H](CNC(=O)NC[C@H]1CC[N@@H+](C2CC2)C1)Oc1ccc(Br)cc1 ZINC000465683825 564930310 /nfs/dbraw/zinc/93/03/10/564930310.db2.gz AOFMMNRSVVERIP-ZIAGYGMSSA-N 1 0 396.329 3.000 20 0 GFADRO COc1ccc(Br)c(CNC(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)c1 ZINC000465657122 564930791 /nfs/dbraw/zinc/93/07/91/564930791.db2.gz IHRBKKBLSAPMRK-CQSZACIVSA-N 1 0 380.286 2.613 20 0 GFADRO CCO[C@@H]1C[C@H]([NH2+]Cc2cc3c(c(Br)c2)OCO3)[C@H]1n1cccn1 ZINC000559361666 564931097 /nfs/dbraw/zinc/93/10/97/564931097.db2.gz RFJSBKBRZJRTBF-SQWLQELKSA-N 1 0 394.269 2.883 20 0 GFADRO CC[NH+](CC)CCNC(=O)C(=O)N(Cc1ccc(Br)cc1)C(C)C ZINC000559363169 564931314 /nfs/dbraw/zinc/93/13/14/564931314.db2.gz GPCBBYNUJJXVHO-UHFFFAOYSA-N 1 0 398.345 2.644 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)NCCC(=O)Nc2ccc(Br)cc2)CC[N@@H+]1C ZINC000465707383 564931379 /nfs/dbraw/zinc/93/13/79/564931379.db2.gz HZBODHDEAXIXCF-IUODEOHRSA-N 1 0 397.317 2.560 20 0 GFADRO CC[C@@H](CSC)N(C)C(=O)C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000559400896 564931995 /nfs/dbraw/zinc/93/19/95/564931995.db2.gz RRQWGFRWMJRHAO-LSDHHAIUSA-N 1 0 383.583 2.601 20 0 GFADRO CCOc1cccc(C[NH2+]C[C@@H](O)COc2ccccc2Br)n1 ZINC000532209909 564932556 /nfs/dbraw/zinc/93/25/56/564932556.db2.gz KAOGJOBZDHNZCS-CQSZACIVSA-N 1 0 381.270 2.772 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)NC[C@H](O)COc2cccc(Cl)c2Cl)CC[N@@H+]1C ZINC000466032804 564935522 /nfs/dbraw/zinc/93/55/22/564935522.db2.gz BDPPZIGWZQDGPF-UPJWGTAASA-N 1 0 390.311 2.515 20 0 GFADRO C[C@H]1CN(C)C[C@@H]1[NH2+]CC(C)(C)S(=O)(=O)c1ccc(Br)cc1 ZINC000532353011 564935528 /nfs/dbraw/zinc/93/55/28/564935528.db2.gz BXHKAPSWZCSZTO-WFASDCNBSA-N 1 0 389.359 2.541 20 0 GFADRO CC(=O)N1CCC([NH2+][C@@H](C)CC(=O)Nc2cccc(Br)c2)CC1 ZINC000532454740 564938543 /nfs/dbraw/zinc/93/85/43/564938543.db2.gz IYNNOVDEHOLHEJ-LBPRGKRZSA-N 1 0 382.302 2.767 20 0 GFADRO COc1ccc(C(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)cc1Br ZINC000499898937 564939630 /nfs/dbraw/zinc/93/96/30/564939630.db2.gz OTMVFTHXBPFJGQ-CQSZACIVSA-N 1 0 385.302 2.641 20 0 GFADRO CC[C@H]1CN(C(=O)C(=O)NC[C@@H](c2ccsc2)[NH+](CC)CC)CCS1 ZINC000559748096 564939929 /nfs/dbraw/zinc/93/99/29/564939929.db2.gz BVCNCJDZTGUAKU-HOTGVXAUSA-N 1 0 383.583 2.601 20 0 GFADRO Cc1cc(CC(C)(C)C(=O)NC[C@@]2(O)CC[N@@H+](C)C2)ccc1Br ZINC000499901731 564940211 /nfs/dbraw/zinc/94/02/11/564940211.db2.gz VSYWIWXRXIQVPM-SFHVURJKSA-N 1 0 383.330 2.509 20 0 GFADRO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@H](CO)Cc1ccc(F)cc1 ZINC000559895040 564941404 /nfs/dbraw/zinc/94/14/04/564941404.db2.gz WRWQFUIVVPBIEK-DZGCQCFKSA-N 1 0 397.288 2.579 20 0 GFADRO C[C@H]1CC[N@H+](C)CCN1C(=O)c1cccc(F)c1I ZINC000532755927 564944335 /nfs/dbraw/zinc/94/43/35/564944335.db2.gz JACIRZUYABMDQU-JTQLQIEISA-N 1 0 376.213 2.597 20 0 GFADRO COc1ccc(C[NH2+][C@H]2CCO[C@H](c3nccn3C)C2)c(Br)c1O ZINC000560127757 564950800 /nfs/dbraw/zinc/95/08/00/564950800.db2.gz WSBNKQDHLWXAKX-JSGCOSHPSA-N 1 0 396.285 2.907 20 0 GFADRO CCC[NH+]1CCC(N(C)Cc2cc(=O)n3cc(Br)ccc3n2)CC1 ZINC000532987720 564951788 /nfs/dbraw/zinc/95/17/88/564951788.db2.gz FHSPMWCGCXWKRG-UHFFFAOYSA-N 1 0 393.329 2.763 20 0 GFADRO CS(=O)(=O)NC[C@@H]1CCC[C@H]1[NH2+]Cc1c(Cl)cccc1N1CCCC1 ZINC000500461898 564954148 /nfs/dbraw/zinc/95/41/48/564954148.db2.gz KRXAORVFYBCPDJ-WMLDXEAASA-N 1 0 385.961 2.748 20 0 GFADRO COC(=O)c1ccc(C[N@@H+]2CCC[C@@H](Cn3ccnn3)C2)c(Br)c1 ZINC000560260929 564954987 /nfs/dbraw/zinc/95/49/87/564954987.db2.gz FAQLCGGBSKQZLQ-CYBMUJFWSA-N 1 0 393.285 2.739 20 0 GFADRO COC(=O)c1ccc(C[NH2+]CC2(O)Cc3ccccc3C2)c(Br)c1 ZINC000560259842 564955019 /nfs/dbraw/zinc/95/50/19/564955019.db2.gz JRKFWXZSDMCQRX-UHFFFAOYSA-N 1 0 390.277 2.855 20 0 GFADRO CS(=O)(=O)NC[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(Cl)c(Br)c1 ZINC000500472690 564955395 /nfs/dbraw/zinc/95/53/95/564955395.db2.gz AQMJLXTVGSXFGE-RISCZKNCSA-N 1 0 395.750 2.910 20 0 GFADRO COc1c(Cl)cc(NC(=O)C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@@H]2C)cc1Cl ZINC000467094344 564955770 /nfs/dbraw/zinc/95/57/70/564955770.db2.gz YCVIILPLLRIUEK-XPTSAGLGSA-N 1 0 386.279 2.539 20 0 GFADRO COc1c(Cl)cc(NC(=O)C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)cc1Cl ZINC000467094338 564955834 /nfs/dbraw/zinc/95/58/34/564955834.db2.gz YCVIILPLLRIUEK-LKFCYVNXSA-N 1 0 386.279 2.539 20 0 GFADRO CS(=O)(=O)NC[C@H]1CCC[C@@H]1[NH2+]Cc1cc(Cl)ccc1OCC1CC1 ZINC000500507019 564955951 /nfs/dbraw/zinc/95/59/51/564955951.db2.gz GTPUWDKDNVNCOV-PBHICJAKSA-N 1 0 386.945 2.936 20 0 GFADRO CS(=O)(=O)NC[C@H]1CCC[C@@H]1[NH2+]Cc1c(F)ccc(Br)c1F ZINC000500532900 564956221 /nfs/dbraw/zinc/95/62/21/564956221.db2.gz MDLQZUUNUSYWDR-RNCFNFMXSA-N 1 0 397.285 2.535 20 0 GFADRO O[C@@H](COC[C@H]1CCCO1)CN1CCc2c(F)ccc(Br)c2C1 ZINC000560278685 564956500 /nfs/dbraw/zinc/95/65/00/564956500.db2.gz HYDZLZZRKTVROG-CHWSQXEVSA-N 1 0 388.277 2.503 20 0 GFADRO C[N@H+](CC[C@H]1CCCO1)C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000467146056 564957054 /nfs/dbraw/zinc/95/70/54/564957054.db2.gz BJBAGPRDGXAJSF-HUUCEWRRSA-N 1 0 376.266 2.829 20 0 GFADRO CC[N@H+](CCO)CCNC(=O)C(C)(C)Cc1ccc(Br)c(C)c1 ZINC000500584988 564957892 /nfs/dbraw/zinc/95/78/92/564957892.db2.gz HORCQHGYGLHJAM-UHFFFAOYSA-N 1 0 385.346 2.757 20 0 GFADRO O=C(CC[N@@H+]1CCC[C@@H]1C(=O)NC1CC1)Nc1cccc(Br)c1 ZINC000533296656 564960174 /nfs/dbraw/zinc/96/01/74/564960174.db2.gz QXRPOMGGGYGHBM-OAHLLOKOSA-N 1 0 380.286 2.521 20 0 GFADRO Cc1cc(S(=O)(=O)NCC[NH2+][C@H](c2cncc(F)c2)C2CC2)c(C)s1 ZINC000467373823 564961889 /nfs/dbraw/zinc/96/18/89/564961889.db2.gz QFYJLLUOYYHOCU-KRWDZBQOSA-N 1 0 383.514 2.918 20 0 GFADRO COc1ccc(Br)cc1C(=O)N1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000533478476 564963119 /nfs/dbraw/zinc/96/31/19/564963119.db2.gz YPDVEVFCFLBVER-UKPHBRMFSA-N 1 0 397.313 2.781 20 0 GFADRO O=C1CCCN1CCC[N@H+](CCn1ccnc1)Cc1ccc(Br)o1 ZINC000560477913 564964751 /nfs/dbraw/zinc/96/47/51/564964751.db2.gz PFCZYSTZDSMEEQ-UHFFFAOYSA-N 1 0 395.301 2.753 20 0 GFADRO O=C(NCCC[NH+]1CCCC1)c1cccc(F)c1I ZINC000533544976 564966075 /nfs/dbraw/zinc/96/60/75/564966075.db2.gz NFNKQZHKGZIBTQ-UHFFFAOYSA-N 1 0 376.213 2.646 20 0 GFADRO CCOc1c(Br)cc(C[N@H+](C)CCN2CCCC2=O)cc1OC ZINC000560523676 564966685 /nfs/dbraw/zinc/96/66/85/564966685.db2.gz AUKDUSIFKYLFJE-UHFFFAOYSA-N 1 0 385.302 2.911 20 0 GFADRO CCOc1c(Cl)cc(NC(=O)C(=O)NCC[NH+](CC)CC)cc1Cl ZINC000467621485 564968984 /nfs/dbraw/zinc/96/89/84/564968984.db2.gz KBMLMSGUMNSWGB-UHFFFAOYSA-N 1 0 376.284 2.789 20 0 GFADRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1cc(=O)[nH]c2c(Br)cccc12 ZINC000467712050 564970479 /nfs/dbraw/zinc/97/04/79/564970479.db2.gz AVQXWMZRHVRUER-ZUZCIYMTSA-N 1 0 390.281 2.915 20 0 GFADRO CC(C)C[C@H](N[C@@H](C)c1nc(C(F)(F)F)cs1)C(=O)NCC[NH+](C)C ZINC000467746549 564970998 /nfs/dbraw/zinc/97/09/98/564970998.db2.gz JMSCAWYVHDXBMM-RYUDHWBXSA-N 1 0 380.480 2.905 20 0 GFADRO C[N@H+](CC1CC1)C[C@@H]1CCN(S(=O)(=O)c2cccc(Br)c2)C1 ZINC000467795788 564972825 /nfs/dbraw/zinc/97/28/25/564972825.db2.gz CRLGVHDDGPJFQM-AWEZNQCLSA-N 1 0 387.343 2.802 20 0 GFADRO Cc1cc(Br)c(S(=O)(=O)N2CCC(C[NH+](C)C)CC2)s1 ZINC000501172347 564972880 /nfs/dbraw/zinc/97/28/80/564972880.db2.gz FRDARKRKOGPQOC-UHFFFAOYSA-N 1 0 381.361 2.781 20 0 GFADRO Cc1ccc(Br)c(S(=O)(=O)N2CCC(C[NH+](C)C)CC2)c1 ZINC000501186980 564973233 /nfs/dbraw/zinc/97/32/33/564973233.db2.gz BPUKGFWIGGBBJB-UHFFFAOYSA-N 1 0 375.332 2.720 20 0 GFADRO CCCCOCC(=O)Nc1cc(Br)ccc1N1CC[NH+](C)CC1 ZINC000501216134 564973821 /nfs/dbraw/zinc/97/38/21/564973821.db2.gz GDXJQIUIGQVXDD-UHFFFAOYSA-N 1 0 384.318 2.956 20 0 GFADRO C[NH+]1CCN(c2ccc(Br)cc2NC(=O)C[C@@H]2CCOC2)CC1 ZINC000501217855 564973912 /nfs/dbraw/zinc/97/39/12/564973912.db2.gz MQLMFJVZWHZZKM-ZDUSSCGKSA-N 1 0 382.302 2.566 20 0 GFADRO CC[NH+](CC)C[C@H](C)NC(=O)Cc1cc2c(cc1Br)OCCO2 ZINC000501234376 564974448 /nfs/dbraw/zinc/97/44/48/564974448.db2.gz ORDHQBUTCNIFDF-LBPRGKRZSA-N 1 0 385.302 2.609 20 0 GFADRO CC[NH+](CC)C[C@@H](C)NC(=O)CSc1nncn1-c1cccc(Cl)c1 ZINC000501249610 564974502 /nfs/dbraw/zinc/97/45/02/564974502.db2.gz SYYOTKHIBVFPGL-CYBMUJFWSA-N 1 0 381.933 2.859 20 0 GFADRO C[N@H+](CCC(=O)OC(C)(C)C)C[C@@H](O)COc1ccc(Br)cc1 ZINC000468149171 564979254 /nfs/dbraw/zinc/97/92/54/564979254.db2.gz WXECRFQPRRHAFN-CQSZACIVSA-N 1 0 388.302 2.852 20 0 GFADRO O=C(Nc1cc(Br)ccc1-n1cccn1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000560984007 564979986 /nfs/dbraw/zinc/97/99/86/564979986.db2.gz LAZGJMZREMETAW-OKILXGFUSA-N 1 0 390.285 2.993 20 0 GFADRO COCc1nc2n(n1)C[C@H]([NH2+][C@@H]1CCc3cccc(Br)c3C1)CC2 ZINC000561044816 564981946 /nfs/dbraw/zinc/98/19/46/564981946.db2.gz HJQFNRVDRYSVAQ-ZIAGYGMSSA-N 1 0 391.313 2.649 20 0 GFADRO COC(=O)CN1CCC([NH2+]CCc2c[nH]c3ccc(Br)cc23)CC1 ZINC000468514019 564984964 /nfs/dbraw/zinc/98/49/64/564984964.db2.gz AWBIITCJXIDFHB-UHFFFAOYSA-N 1 0 394.313 2.700 20 0 GFADRO CN(C)[C@H](C(=O)N1CC[C@H](C(F)(F)F)[C@@H](CO)C1)c1cccc(Cl)c1 ZINC000561168448 564986451 /nfs/dbraw/zinc/98/64/51/564986451.db2.gz WHXACTREQJBFLK-SNPRPXQTSA-N 1 0 378.822 2.962 20 0 GFADRO CN(CCOc1ccc(Br)cc1)C(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000561230824 564988322 /nfs/dbraw/zinc/98/83/22/564988322.db2.gz IRZJZCKDZBXCSP-DLBZAZTESA-N 1 0 396.329 2.857 20 0 GFADRO C[C@@H](O)C[N@@H+]1CCN(CCOc2ccc(Cl)cc2Br)[C@@H](C)C1 ZINC000501973297 564989653 /nfs/dbraw/zinc/98/96/53/564989653.db2.gz HBJXBYDEMMFAGU-QWHCGFSZSA-N 1 0 391.737 2.868 20 0 GFADRO C[C@H](C[NH+]1CCOCC1)C(=O)NCc1ccc(Br)cc1Cl ZINC000502032791 564990377 /nfs/dbraw/zinc/99/03/77/564990377.db2.gz AWQCZLOIKVCICV-LLVKDONJSA-N 1 0 375.694 2.687 20 0 GFADRO C[NH+]1CCN(c2cccc(C(=O)Nc3cccc(Br)c3)n2)CC1 ZINC000502056719 564990870 /nfs/dbraw/zinc/99/08/70/564990870.db2.gz KZGBOUUIIARZRU-UHFFFAOYSA-N 1 0 375.270 2.848 20 0 GFADRO Cc1cc(I)ccc1NC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC000502076786 564991116 /nfs/dbraw/zinc/99/11/16/564991116.db2.gz IVVYHCUYGGRABD-GFCCVEGCSA-N 1 0 388.249 2.506 20 0 GFADRO O=C(NC[C@H]1CCC[N@H+](Cc2cccs2)C1)N[C@@H](CO)CC(F)(F)F ZINC000534552617 564991454 /nfs/dbraw/zinc/99/14/54/564991454.db2.gz BHSFQYCOKBMYIG-CHWSQXEVSA-N 1 0 379.448 2.573 20 0 GFADRO CNC(=O)[C@H](C)C[N@H+](C)Cc1ccc(I)cc1Cl ZINC000502257870 564994931 /nfs/dbraw/zinc/99/49/31/564994931.db2.gz SQUVNNWLOAHLBH-SECBINFHSA-N 1 0 380.657 2.759 20 0 GFADRO Cc1csc(C(=O)N(C)[C@H]2C[NH+]3CCC2CC3)c1I ZINC000468832792 564995289 /nfs/dbraw/zinc/99/52/89/564995289.db2.gz GCEDZQZDXOIXJN-NSHDSACASA-N 1 0 390.290 2.827 20 0 GFADRO CS[C@H]1CN(C(=O)c2cn(-c3ccc(Cl)cc3)nc2C)C[C@@H]1[NH+](C)C ZINC000534827120 564996907 /nfs/dbraw/zinc/99/69/07/564996907.db2.gz BTMXNVRLMICRFC-IRXDYDNUSA-N 1 0 378.929 2.952 20 0 GFADRO C[C@H](CNS(=O)(=O)Cc1cccc(Br)c1)C[NH+]1CCCCC1 ZINC000561479043 564996996 /nfs/dbraw/zinc/99/69/96/564996996.db2.gz FHXVHDBFDDJEQX-CQSZACIVSA-N 1 0 389.359 2.991 20 0 GFADRO Cc1ccc(Br)c(NC(=O)C(=O)N2CC[NH+](C3CCCC3)CC2)c1 ZINC000534893215 564999266 /nfs/dbraw/zinc/99/92/66/564999266.db2.gz RCFFWCSGCKYCRI-UHFFFAOYSA-N 1 0 394.313 2.783 20 0 GFADRO CS[C@@H]1CN(S(=O)(=O)Cc2cccc(C(F)(F)F)c2)C[C@@H]1[NH+](C)C ZINC000534907413 564999723 /nfs/dbraw/zinc/99/97/23/564999723.db2.gz SSTWGPAOAQLOAB-UONOGXRCSA-N 1 0 382.473 2.513 20 0 GFADRO CC1CC[NH+](CCN2CCNC(=O)[C@@H]2c2ccccc2Br)CC1 ZINC000502492874 564999794 /nfs/dbraw/zinc/99/97/94/564999794.db2.gz BFJFZWCXKCLEQB-KRWDZBQOSA-N 1 0 380.330 2.654 20 0 GFADRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1S(=O)(=O)Cc1ccc(Br)cc1 ZINC000561552434 565001061 /nfs/dbraw/zinc/00/10/61/565001061.db2.gz QKHDQJIIYINMAS-XJKSGUPXSA-N 1 0 387.343 2.838 20 0 GFADRO O=C1C[C@H]([C@H]2CCCC[N@H+]2C[C@@H](O)COc2ccc(Cl)cc2Cl)CN1 ZINC000535014818 565002275 /nfs/dbraw/zinc/00/22/75/565002275.db2.gz CPDLBLVDWGFEBP-JGGQBBKZSA-N 1 0 387.307 2.724 20 0 GFADRO CC[N@H+](CCNC(=O)[C@@H]1CC(=O)Nc2ccc(Br)cc21)C(C)C ZINC000469003627 565002725 /nfs/dbraw/zinc/00/27/25/565002725.db2.gz PMRPVAWVKGDSSE-CQSZACIVSA-N 1 0 382.302 2.721 20 0 GFADRO CC[NH+](CC)CCOCCNC(=O)Cc1c(F)ccc(Br)c1F ZINC000502829806 565006847 /nfs/dbraw/zinc/00/68/47/565006847.db2.gz NWDQTKOWPSLWRS-UHFFFAOYSA-N 1 0 393.272 2.744 20 0 GFADRO CNC(=O)[C@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1c(Cl)cccc1C(F)(F)F ZINC000502866832 565007736 /nfs/dbraw/zinc/00/77/36/565007736.db2.gz IBVFIWMWWMKTRU-CABZTGNLSA-N 1 0 377.794 2.802 20 0 GFADRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+]CCOc1ccc(Cl)cc1Br ZINC000502856905 565007829 /nfs/dbraw/zinc/00/78/29/565007829.db2.gz OOQIHBKBJKEUJJ-DGCLKSJQSA-N 1 0 375.694 2.986 20 0 GFADRO O=C(NCCNc1cc[nH+]cc1)c1ccn(-c2ccc(Cl)c(Cl)c2)n1 ZINC000535263285 565008595 /nfs/dbraw/zinc/00/85/95/565008595.db2.gz VCNXANVFVWABRO-UHFFFAOYSA-N 1 0 376.247 2.838 20 0 GFADRO O=C(COc1ccc(Br)cc1Cl)NCCNc1cc[nH+]cc1 ZINC000535258713 565008696 /nfs/dbraw/zinc/00/86/96/565008696.db2.gz XLTKORXCKVQHHE-UHFFFAOYSA-N 1 0 384.661 2.527 20 0 GFADRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C[C@H](O)COc1ccc(Br)cc1 ZINC000561898424 565012017 /nfs/dbraw/zinc/01/20/17/565012017.db2.gz AZKHMLFLAVWXTF-HFTRVMKXSA-N 1 0 383.330 2.747 20 0 GFADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)Cc2cccc(Cl)c2Cl)CC1 ZINC000469288830 565012585 /nfs/dbraw/zinc/01/25/85/565012585.db2.gz ZIOLRNPFSCNWII-UHFFFAOYSA-N 1 0 386.323 2.595 20 0 GFADRO COc1cc(Cl)c(S(=O)(=O)N2C[C@@H]([NH+](C)C)[C@@H](SC)C2)cc1Cl ZINC000503223606 565014458 /nfs/dbraw/zinc/01/44/58/565014458.db2.gz OAHLJUHYNYLZPW-YPMHNXCESA-N 1 0 399.365 2.668 20 0 GFADRO CS(=O)(=O)N[C@H]1CCCC[C@@H]1C[NH2+]Cc1cc(O)cc(C(F)(F)F)c1 ZINC000562074421 565017068 /nfs/dbraw/zinc/01/70/68/565017068.db2.gz SEKPGSXAYOLUID-DOMZBBRYSA-N 1 0 380.432 2.609 20 0 GFADRO O=S1(=O)CCCN1[C@@H]1CCC[N@@H+](CCn2ccc3cc(Cl)ccc32)C1 ZINC000562068121 565017077 /nfs/dbraw/zinc/01/70/77/565017077.db2.gz IKWYORWELPRWBT-QGZVFWFLSA-N 1 0 381.929 2.795 20 0 GFADRO CC(C)[N@H+](C)C[C@@H](C)NC(=O)C(=O)Nc1ccc(Cl)cc1Br ZINC000562157100 565018566 /nfs/dbraw/zinc/01/85/66/565018566.db2.gz KBPHRIVEKUGEEH-SNVBAGLBSA-N 1 0 390.709 2.886 20 0 GFADRO CCS[C@@H]1CCC[C@H]1[NH2+]CC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl ZINC000503445269 565019134 /nfs/dbraw/zinc/01/91/34/565019134.db2.gz BXDRRFPTNKXJCN-UKRRQHHQSA-N 1 0 390.958 2.946 20 0 GFADRO C[NH+](C)CCN(Cc1cn2ccc(Br)cc2n1)C[C@@H]1CCCO1 ZINC000562205556 565019958 /nfs/dbraw/zinc/01/99/58/565019958.db2.gz QNWDUWOWWPRLIR-INIZCTEOSA-N 1 0 381.318 2.639 20 0 GFADRO CN(C)CC[N@H+](C)CCCNC(=O)c1nc2ccccc2cc1Br ZINC000562213436 565020607 /nfs/dbraw/zinc/02/06/07/565020607.db2.gz INFNTKOLIOPWKX-UHFFFAOYSA-N 1 0 393.329 2.611 20 0 GFADRO CCC[N@H+](CC)C[C@H](C)NC(=O)N[C@H](CO)c1cccc(Br)c1 ZINC000562254691 565022015 /nfs/dbraw/zinc/02/20/15/565022015.db2.gz XJIWCJIHCWYSAJ-XJKSGUPXSA-N 1 0 386.334 2.902 20 0 GFADRO CCS[C@H]1CCC[C@@H]1[NH2+]CC(=O)NCC(=O)Nc1cccc(Cl)c1C ZINC000503523576 565022634 /nfs/dbraw/zinc/02/26/34/565022634.db2.gz QVEAYHVQYLMNOQ-HOTGVXAUSA-N 1 0 383.945 2.967 20 0 GFADRO Cc1c(Cl)cccc1S(=O)(=O)N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000469809019 565028182 /nfs/dbraw/zinc/02/81/82/565028182.db2.gz MIQPPEMVZXUXSE-MRXNPFEDSA-N 1 0 386.945 2.914 20 0 GFADRO CCOC(=O)c1sc2ncnc(N3C[C@@H](SC)[C@H]([NH+](C)C)C3)c2c1C ZINC000536174728 565031583 /nfs/dbraw/zinc/03/15/83/565031583.db2.gz WBTHBPGADBMCRW-VXGBXAGGSA-N 1 0 380.539 2.658 20 0 GFADRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@H](CO)c1ccc(Br)cc1 ZINC000504059198 565034024 /nfs/dbraw/zinc/03/40/24/565034024.db2.gz DHWLMFIRUHAAGT-HZPDHXFCSA-N 1 0 384.318 2.656 20 0 GFADRO O=C(COc1ccc(Cl)cc1Cl)N1CC[NH+](CC2(O)CCCC2)CC1 ZINC000470002005 565034380 /nfs/dbraw/zinc/03/43/80/565034380.db2.gz CPMHTRYYLKHPSQ-UHFFFAOYSA-N 1 0 387.307 2.822 20 0 GFADRO O=C(CC[N@@H+]1C[C@H](O)C[C@H]1[C@H]1CCCOC1)Nc1ccccc1Br ZINC000562707140 565038880 /nfs/dbraw/zinc/03/88/80/565038880.db2.gz IKHWIIXWQHCRBL-VBQJREDUSA-N 1 0 397.313 2.640 20 0 GFADRO C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+][C@H]1CCC[C@@H]1CNS(C)(=O)=O ZINC000504538892 565041244 /nfs/dbraw/zinc/04/12/44/565041244.db2.gz ATYWPALZORUPFS-XPKDYRNWSA-N 1 0 378.460 2.944 20 0 GFADRO CC(C)[NH+](CCCNC(=O)CCn1cc(Br)ccc1=O)C(C)C ZINC000470226652 565041292 /nfs/dbraw/zinc/04/12/92/565041292.db2.gz AIEGHZQOZYMGST-UHFFFAOYSA-N 1 0 386.334 2.626 20 0 GFADRO COc1ccc(NC(=O)N2CCC[C@@H](C[NH3+])C2)c(I)c1 ZINC000562763085 565042681 /nfs/dbraw/zinc/04/26/81/565042681.db2.gz LFUVRZGGOZJZSG-JTQLQIEISA-N 1 0 389.237 2.502 20 0 GFADRO O=C(NCCc1c[nH]c2cccc(Br)c12)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000562811438 565043784 /nfs/dbraw/zinc/04/37/84/565043784.db2.gz ROTGQYDSRNPPJT-GOSISDBHSA-N 1 0 391.313 2.868 20 0 GFADRO NS(=O)(=O)C[C@@H]1CCC[N@@H+]1Cc1ccc(-c2cccc(Br)c2)o1 ZINC000536673927 565044534 /nfs/dbraw/zinc/04/45/34/565044534.db2.gz DOOSRPHDTFYVHW-AWEZNQCLSA-N 1 0 399.310 2.962 20 0 GFADRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N(CCO)Cc1ccc(Cl)c(Cl)c1 ZINC000504830184 565045239 /nfs/dbraw/zinc/04/52/39/565045239.db2.gz FIPNVZQPXVHQTP-YVEFUNNKSA-N 1 0 386.323 2.980 20 0 GFADRO CS[C@@H]1CN(C(=O)CCOCC(F)(F)C(F)(F)F)C[C@H]1[NH+]1CCCC1 ZINC000504873337 565045763 /nfs/dbraw/zinc/04/57/63/565045763.db2.gz SBGCZCPPVFHLLO-VXGBXAGGSA-N 1 0 390.418 2.629 20 0 GFADRO C[C@@H]([NH2+][C@@H]1CCN(c2cnn(C)c2)C1=O)c1ccc(Br)c(F)c1 ZINC000536857386 565048078 /nfs/dbraw/zinc/04/80/78/565048078.db2.gz KPQBXYSZYVBLGR-MEBBXXQBSA-N 1 0 381.249 2.778 20 0 GFADRO CSCC[C@@H](CO)[NH2+][C@@H](C)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000536848399 565048559 /nfs/dbraw/zinc/04/85/59/565048559.db2.gz XCLHWKXMHYEDJQ-RDJZCZTQSA-N 1 0 386.583 2.626 20 0 GFADRO Cc1cc(NC(=O)COC2CC[NH2+]CC2)n(-c2cccc(Br)c2)n1 ZINC000562957602 565049171 /nfs/dbraw/zinc/04/91/71/565049171.db2.gz JQDCAGVRVHSAGP-UHFFFAOYSA-N 1 0 393.285 2.650 20 0 GFADRO O=C(CSCc1ccc(Br)cc1F)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000562971147 565049780 /nfs/dbraw/zinc/04/97/80/565049780.db2.gz AUOHRGAZSLDAEN-WCQYABFASA-N 1 0 387.318 2.889 20 0 GFADRO Cc1ccc(F)c(Br)c1NC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000562982489 565050415 /nfs/dbraw/zinc/05/04/15/565050415.db2.gz HGZSUGPBBJIEDA-WCQYABFASA-N 1 0 396.264 2.589 20 0 GFADRO CO[C@H]1CCN(C(=O)CSCc2cc(-c3cccs3)on2)[C@@H](C[NH3+])C1 ZINC000562977295 565050721 /nfs/dbraw/zinc/05/07/21/565050721.db2.gz FAERKTFNSXXTFE-KGLIPLIRSA-N 1 0 381.523 2.601 20 0 GFADRO Cc1cccc2nc(C[NH2+]C[C@@H](O)COc3cccc(Br)c3)cn21 ZINC000563000270 565051453 /nfs/dbraw/zinc/05/14/53/565051453.db2.gz UFIHLSKEUSDPSJ-MRXNPFEDSA-N 1 0 390.281 2.935 20 0 GFADRO CCCC[N@H+](CCCO)CC(=O)Nc1cccc(I)c1 ZINC000537125990 565053122 /nfs/dbraw/zinc/05/31/22/565053122.db2.gz RIXLQLVIAXNXIC-UHFFFAOYSA-N 1 0 390.265 2.714 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H](C)c2ncc(Br)cn2)C[C@H]1C ZINC000563058744 565053451 /nfs/dbraw/zinc/05/34/51/565053451.db2.gz QWTKLTVHEMFEQF-DYEKYZERSA-N 1 0 384.322 2.814 20 0 GFADRO O=S(=O)(c1cscn1)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000563063044 565054170 /nfs/dbraw/zinc/05/41/70/565054170.db2.gz LYHVPQFHVOVZRC-IRXDYDNUSA-N 1 0 377.535 2.818 20 0 GFADRO O=c1cc(C[N@@H+]2CCC[C@H]2[C@@H]2CCCOC2)nc2ccc(Br)cn12 ZINC000563066645 565054180 /nfs/dbraw/zinc/05/41/80/565054180.db2.gz ZDXLHVIPCVQUSL-CJNGLKHVSA-N 1 0 392.297 2.848 20 0 GFADRO [NH3+]C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)c1cccc(Cl)c1Cl)C2=O ZINC000563082064 565055553 /nfs/dbraw/zinc/05/55/53/565055553.db2.gz UYXDHGZAXWYPNS-BTDLBPIBSA-N 1 0 384.263 2.616 20 0 GFADRO C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)N1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000563116175 565055845 /nfs/dbraw/zinc/05/58/45/565055845.db2.gz AQFUECRIAMERQE-STQMWFEESA-N 1 0 387.307 2.975 20 0 GFADRO O=C(Cc1ccc(I)cc1)N1CCC([NH2+]CC2CC2)CC1 ZINC000563104392 565055943 /nfs/dbraw/zinc/05/59/43/565055943.db2.gz KTAGEVTVLHGHMW-UHFFFAOYSA-N 1 0 398.288 2.824 20 0 GFADRO CS(=O)(=O)[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1 ZINC000537406140 565058193 /nfs/dbraw/zinc/05/81/93/565058193.db2.gz DLFMUERNTXQLCN-XFBWCDHKSA-N 1 0 388.892 2.530 20 0 GFADRO C[C@@H]1CCN(S(=O)(=O)N(CC[NH+]2CCCC2)Cc2ccc(Cl)cc2)C1 ZINC000537558708 565059671 /nfs/dbraw/zinc/05/96/71/565059671.db2.gz LZWWAZCQMUWMSC-MRXNPFEDSA-N 1 0 385.961 2.824 20 0 GFADRO C[C@@H]1C[N@H+](C[C@@H](O)COc2ccc(Cl)c(Cl)c2)C[C@]2(CCOC2)O1 ZINC000684626624 565076550 /nfs/dbraw/zinc/07/65/50/565076550.db2.gz LDYDDTOGHVTYSX-XNJGSVPQSA-N 1 0 376.280 2.613 20 0 GFADRO O=C(CC[NH2+][C@H]1CC(=O)N2CCCC[C@H]12)Nc1cccc(Br)c1 ZINC000584465387 565081079 /nfs/dbraw/zinc/08/10/79/565081079.db2.gz GCSNGRBGQVNRRR-LSDHHAIUSA-N 1 0 380.286 2.521 20 0 GFADRO C[C@@H]1C[N@H+](CCCNc2ncnc3cc(F)c(Br)cc32)CCCO1 ZINC000584447460 565081936 /nfs/dbraw/zinc/08/19/36/565081936.db2.gz RICGVVREEMUYMT-GFCCVEGCSA-N 1 0 397.292 3.444 20 0 GFADRO [NH3+]C[C@H]1c2ccccc2CCN1S(=O)(=O)Cc1cccc(Br)c1 ZINC000584529382 565086957 /nfs/dbraw/zinc/08/69/57/565086957.db2.gz FBZBNNZEVDVDCR-KRWDZBQOSA-N 1 0 395.322 2.837 20 0 GFADRO C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)[C@@H](C)C2C[NH2+]C2)CC1 ZINC000584527872 565087117 /nfs/dbraw/zinc/08/71/17/565087117.db2.gz MUVUKWHIPSCDLS-UONOGXRCSA-N 1 0 380.330 2.510 20 0 GFADRO Cc1sc2nc(C)nc(SCC(=O)N3CCC4(C[NH+](C)C4)C3)c2c1C ZINC000614040839 565091724 /nfs/dbraw/zinc/09/17/24/565091724.db2.gz ZOIQUNCVKBMJKA-UHFFFAOYSA-N 1 0 376.551 2.873 20 0 GFADRO C[NH+](C)C[C@@]1(O)CCCN(C(=O)C(C)(C)Oc2ccc(Br)cc2)C1 ZINC000614071614 565093641 /nfs/dbraw/zinc/09/36/41/565093641.db2.gz RTGJBYYQSGDIDU-SFHVURJKSA-N 1 0 399.329 2.522 20 0 GFADRO CCCn1nccc1C[NH2+]CCCNC(=O)c1ccc(Br)cc1 ZINC000657342779 565097341 /nfs/dbraw/zinc/09/73/41/565097341.db2.gz SNLMGTHZYRGMLB-UHFFFAOYSA-N 1 0 379.302 2.965 20 0 GFADRO CC(C)(C[NH2+]Cc1cc2cc(Br)ccc2o1)NS(C)(=O)=O ZINC000657358880 565099436 /nfs/dbraw/zinc/09/94/36/565099436.db2.gz OXIFJHZJANEIHJ-UHFFFAOYSA-N 1 0 375.288 2.613 20 0 GFADRO C[NH+](C)CCOc1cc(CNCc2c(F)cncc2Br)ccn1 ZINC000657422519 565099760 /nfs/dbraw/zinc/09/97/60/565099760.db2.gz WOPXBHCTQLZGHS-UHFFFAOYSA-N 1 0 383.265 2.608 20 0 GFADRO Cc1c(Br)cncc1C[NH2+][C@H](Cc1ccccc1)C(=O)N(C)C ZINC000657358317 565100087 /nfs/dbraw/zinc/10/00/87/565100087.db2.gz KENONCLGISVTSH-QGZVFWFLSA-N 1 0 376.298 2.942 20 0 GFADRO CC(C)S(=O)(=O)c1c(Cl)cccc1NC(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000584847450 565102113 /nfs/dbraw/zinc/10/21/13/565102113.db2.gz ODVUFMIKHAZALE-CYBMUJFWSA-N 1 0 387.933 2.985 20 0 GFADRO Cc1cc(N2CCC[C@@H]([NH2+]Cc3c(F)cncc3Br)C2)n(C)n1 ZINC000657450453 565102117 /nfs/dbraw/zinc/10/21/17/565102117.db2.gz UMTDGBJSPXKBGL-GFCCVEGCSA-N 1 0 382.281 2.784 20 0 GFADRO COC[C@H](C)Oc1ccc(C[NH2+]CCn2cc(Br)ccc2=O)cc1 ZINC000657477154 565102793 /nfs/dbraw/zinc/10/27/93/565102793.db2.gz IIYWLVHFTGQBJK-AWEZNQCLSA-N 1 0 395.297 2.814 20 0 GFADRO O=C(NCC12CCC[NH+]1CCC2)c1ccc(-n2cc(Br)cn2)cc1 ZINC000614229955 565102963 /nfs/dbraw/zinc/10/29/63/565102963.db2.gz YHKHPSHMOMSZDH-UHFFFAOYSA-N 1 0 389.297 2.993 20 0 GFADRO Cc1c(Br)cncc1C[NH2+]C[C@H](N1CCOCC1)C(F)(F)F ZINC000657465761 565103672 /nfs/dbraw/zinc/10/36/72/565103672.db2.gz GYRSTZOIAALYPA-ZDUSSCGKSA-N 1 0 382.224 2.505 20 0 GFADRO NS(=O)(=O)c1cc(C[NH2+]C[C@@H](c2ccco2)N2CCCC2)ccc1Cl ZINC000685325328 565104544 /nfs/dbraw/zinc/10/45/44/565104544.db2.gz ZWAOHVRRZVVRAX-HNNXBMFYSA-N 1 0 383.901 2.507 20 0 GFADRO CCOc1c(Br)cc(C[NH2+]C[C@@H](OC)[C@H]2CCOC2)cc1OC ZINC000657546120 565107191 /nfs/dbraw/zinc/10/71/91/565107191.db2.gz YHGYIQZBMOUHGY-XJKSGUPXSA-N 1 0 388.302 2.998 20 0 GFADRO CS(=O)(=O)CC1(CC[NH2+]Cc2cnn(Cc3ccccc3Cl)c2)CC1 ZINC000657545240 565107865 /nfs/dbraw/zinc/10/78/65/565107865.db2.gz AQCSDROAPIFZQI-UHFFFAOYSA-N 1 0 381.929 2.889 20 0 GFADRO CN1c2ccccc2C[C@H]([NH2+]Cc2cc3c(c(Br)c2)OCO3)C1=O ZINC000657574749 565110087 /nfs/dbraw/zinc/11/00/87/565110087.db2.gz MKUVQQAAGMVIPH-AWEZNQCLSA-N 1 0 389.249 2.855 20 0 GFADRO CN(c1nnc(-c2ccc(Br)cc2)n1C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000685521343 565110323 /nfs/dbraw/zinc/11/03/23/565110323.db2.gz ZKHYJIBUBNJECU-HNNXBMFYSA-N 1 0 376.302 2.918 20 0 GFADRO CO[C@@H]1CCC[C@@H]([C@H](CO)[NH2+]Cc2cnc3ccc(Br)cn23)C1 ZINC000657575899 565110623 /nfs/dbraw/zinc/11/06/23/565110623.db2.gz GEPVEBDFFCCHNL-WQVCFCJDSA-N 1 0 382.302 2.753 20 0 GFADRO C[N@H+](Cc1ccc(S(N)(=O)=O)cc1)Cc1ccc(Br)c(F)c1 ZINC000685609988 565116115 /nfs/dbraw/zinc/11/61/15/565116115.db2.gz GRHJTHXAQYGYBG-UHFFFAOYSA-N 1 0 387.274 2.868 20 0 GFADRO O=C(NC[C@@H]1C[N@@H+]2CCN1CCC2)C1(c2c(Cl)cccc2Cl)CCC1 ZINC000614506134 565116586 /nfs/dbraw/zinc/11/65/86/565116586.db2.gz WGMIQEFKZHHVMD-CQSZACIVSA-N 1 0 382.335 2.921 20 0 GFADRO O=C(NC[C@@H]1C[N@@H+]2CCN1CCC2)c1cnc(-c2cccc(Cl)c2)s1 ZINC000614514356 565116877 /nfs/dbraw/zinc/11/68/77/565116877.db2.gz NAKYKMRKGIOOME-OAHLLOKOSA-N 1 0 376.913 2.583 20 0 GFADRO Cc1c(F)c(Br)ccc1NC(=O)C(=O)NCC(C)(C)C[NH+](C)C ZINC000657650095 565117252 /nfs/dbraw/zinc/11/72/52/565117252.db2.gz XJBCYUSHLMNKSD-UHFFFAOYSA-N 1 0 388.281 2.539 20 0 GFADRO CCC[N@H+](CC)C[C@H](C)NC(=O)C(=O)Nc1cc(C)ccc1Br ZINC000685781106 565122307 /nfs/dbraw/zinc/12/23/07/565122307.db2.gz JPTSGPJTJRXTPU-ZDUSSCGKSA-N 1 0 384.318 2.933 20 0 GFADRO COc1cc(Br)c(CNC2CC[NH+]([C@@H]3CCOC3)CC2)c(OC)c1 ZINC000657750135 565126436 /nfs/dbraw/zinc/12/64/36/565126436.db2.gz AYCKVWWDANIMOJ-CQSZACIVSA-N 1 0 399.329 2.809 20 0 GFADRO COCC[N@H+](C)CCCNC(=O)N[C@H]1C[C@@H]1c1cccc(Br)c1 ZINC000588280345 565132718 /nfs/dbraw/zinc/13/27/18/565132718.db2.gz CKXHTDQODMSIPW-CVEARBPZSA-N 1 0 384.318 2.573 20 0 GFADRO O=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)C(=O)Nc1cccc(Br)c1F ZINC000657903754 565136275 /nfs/dbraw/zinc/13/62/75/565136275.db2.gz GETIRCOSXJSRBP-LBPRGKRZSA-N 1 0 398.276 2.660 20 0 GFADRO CC[C@@H](Cc1ccc(Br)cc1)[NH2+]C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000657930143 565138211 /nfs/dbraw/zinc/13/82/11/565138211.db2.gz AGQJNWGWHFTGAI-ZBFHGGJFSA-N 1 0 389.359 2.641 20 0 GFADRO Cn1nc2cc(Br)ccc2c1C(=O)N1CCC2(C1)CC[NH+](C)CC2 ZINC000614970751 565140337 /nfs/dbraw/zinc/14/03/37/565140337.db2.gz WSJCBQMCVGTYQR-UHFFFAOYSA-N 1 0 391.313 2.894 20 0 GFADRO C[C@@H](NC(=O)NCc1c(Br)cnn1C)[C@H](c1ccccc1)[NH+](C)C ZINC000637137714 565141408 /nfs/dbraw/zinc/14/14/08/565141408.db2.gz SKTSSFOGTKBZPW-MLGOLLRUSA-N 1 0 394.317 2.673 20 0 GFADRO C[C@H]([NH2+]Cc1ccc(S(=O)(=O)CCO)cc1)c1cc2ccncc2s1 ZINC000657991720 565143663 /nfs/dbraw/zinc/14/36/63/565143663.db2.gz XJLWQTFQQVFDHQ-ZDUSSCGKSA-N 1 0 376.503 2.913 20 0 GFADRO C[C@@H](Cn1cncn1)[NH2+][C@H](CO)c1ccc(Br)cc1C(F)(F)F ZINC000657999470 565143937 /nfs/dbraw/zinc/14/39/37/565143937.db2.gz INJISBADRJGROU-TVQRCGJNSA-N 1 0 393.207 2.771 20 0 GFADRO C[C@@H]1COCC[N@@H+]1C1CCN(C(=O)Cc2cscc2Br)CC1 ZINC000615087911 565144012 /nfs/dbraw/zinc/14/40/12/565144012.db2.gz OUOJFKCHJLYMBH-GFCCVEGCSA-N 1 0 387.343 2.765 20 0 GFADRO CC[NH+](CC)CCN(C(=O)c1cccnn1)c1ccc(Br)cn1 ZINC000637210580 565144587 /nfs/dbraw/zinc/14/45/87/565144587.db2.gz GIOYPIGJXWAOJI-UHFFFAOYSA-N 1 0 378.274 2.623 20 0 GFADRO CCOC1CCC([NH2+]CCNS(=O)(=O)c2ccc(F)cc2Cl)CC1 ZINC000658002355 565145152 /nfs/dbraw/zinc/14/51/52/565145152.db2.gz AFNBTPNILRTDHJ-UHFFFAOYSA-N 1 0 378.897 2.695 20 0 GFADRO COc1ccc(Br)cc1C[C@H](CO)C[NH2+][C@@H]1CCCn2nccc21 ZINC000658032096 565146900 /nfs/dbraw/zinc/14/69/00/565146900.db2.gz MMCVGNUKKIEHPZ-XJKSGUPXSA-N 1 0 394.313 2.930 20 0 GFADRO OCCO[C@@]1(C[NH2+][C@@H](c2ccc(Br)s2)C2CC2)CCOC1 ZINC000658144955 565153142 /nfs/dbraw/zinc/15/31/42/565153142.db2.gz PKPUSYJXRPZZMI-HUUCEWRRSA-N 1 0 376.316 2.719 20 0 GFADRO C[C@H](Oc1cc(Cl)cc(Cl)c1)C(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000589161137 565153566 /nfs/dbraw/zinc/15/35/66/565153566.db2.gz PJIZNBGEGCKJLY-AWEZNQCLSA-N 1 0 388.339 2.905 20 0 GFADRO C[C@@H](Oc1ccc(Cl)cc1Cl)[C@H](C)[NH2+]C[C@@]1(OCCO)CCOC1 ZINC000658147826 565153627 /nfs/dbraw/zinc/15/36/27/565153627.db2.gz HGSKNBSPLOBOFL-AHIWAGSCSA-N 1 0 378.296 2.907 20 0 GFADRO COc1ncc(Br)cc1CNC(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000637407069 565154066 /nfs/dbraw/zinc/15/40/66/565154066.db2.gz QIPSIJJPXCKPFN-UHFFFAOYSA-N 1 0 399.333 2.726 20 0 GFADRO COC[C@H]([NH2+][C@@H](C)Cn1cc(Br)ccc1=O)c1cccc(OC)c1 ZINC000658164404 565154477 /nfs/dbraw/zinc/15/44/77/565154477.db2.gz NRPRGQMKQWSSSY-GUYCJALGSA-N 1 0 395.297 2.985 20 0 GFADRO C[N@@H+]1CCC[C@H]1[C@@H]1COCCN1C(=O)c1cc(F)c(F)cc1Br ZINC000615271882 565154971 /nfs/dbraw/zinc/15/49/71/565154971.db2.gz ZGCDDKFVHMTTAI-GJZGRUSLSA-N 1 0 389.240 2.663 20 0 GFADRO CC[C@H](C)[N@H+](C)CCNC(=O)[C@@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000589180406 565155340 /nfs/dbraw/zinc/15/53/40/565155340.db2.gz DHFCOVWPSALVMH-UONOGXRCSA-N 1 0 396.329 2.649 20 0 GFADRO Cc1ccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)cc1Br ZINC000658262367 565156889 /nfs/dbraw/zinc/15/68/89/565156889.db2.gz SOHDZFYVWYTBDL-CYBMUJFWSA-N 1 0 382.302 2.685 20 0 GFADRO COCCOCCN(C)C(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000637474064 565158572 /nfs/dbraw/zinc/15/85/72/565158572.db2.gz NNAFIPIWMNVSJS-INIZCTEOSA-N 1 0 392.327 2.901 20 0 GFADRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)c3nn(C(C)(C)C)cc3Br)C2)C1 ZINC000615357391 565158925 /nfs/dbraw/zinc/15/89/25/565158925.db2.gz YZMCYUCKIOKQID-QGZVFWFLSA-N 1 0 383.334 2.959 20 0 GFADRO COC[C@H]1CN(C(=O)N[C@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)CCO1 ZINC000637473134 565159067 /nfs/dbraw/zinc/15/90/67/565159067.db2.gz IMDICTLMRRMTLD-CZUORRHYSA-N 1 0 390.311 2.653 20 0 GFADRO C[NH+](C)C[C@H](NC(=O)N1CC[C@@H](CC(N)=O)C1)c1ccc(Cl)c(Cl)c1 ZINC000637475739 565159246 /nfs/dbraw/zinc/15/92/46/565159246.db2.gz WNAKPFVLQCFAIS-NHYWBVRUSA-N 1 0 387.311 2.503 20 0 GFADRO CCN(C(=O)C(=O)Nc1c(C)cc(C)cc1Br)[C@@H]1CC[N@H+](C)C1 ZINC000658362928 565161319 /nfs/dbraw/zinc/16/13/19/565161319.db2.gz UNMJNTLIMYKKOL-CYBMUJFWSA-N 1 0 382.302 2.557 20 0 GFADRO CCCOc1ccc(Br)cc1S(=O)(=O)N(C)CC(C)(C)C[NH3+] ZINC000658373148 565162291 /nfs/dbraw/zinc/16/22/91/565162291.db2.gz UQFAHBBNZJREEA-UHFFFAOYSA-N 1 0 393.347 2.843 20 0 GFADRO CC[C@H]1CN(S(=O)(=O)c2cc(Cl)ccc2OC(F)(F)F)CC[C@@H]1[NH3+] ZINC000658377178 565163330 /nfs/dbraw/zinc/16/33/30/565163330.db2.gz XVLARMUDBCGGOA-ONGXEEELSA-N 1 0 386.823 2.987 20 0 GFADRO C[C@H]1CCN(S(=O)(=O)c2cc(Cl)cc(Br)c2)C[C@@H]1C[NH3+] ZINC000658382664 565166013 /nfs/dbraw/zinc/16/60/13/565166013.db2.gz VVJDVRPQMIOVBU-UWVGGRQHSA-N 1 0 381.723 2.708 20 0 GFADRO [NH3+]C1(CNS(=O)(=O)Cc2cc(Cl)ccc2Br)CCCC1 ZINC000658390550 565167154 /nfs/dbraw/zinc/16/71/54/565167154.db2.gz JYPOFLZJSDTFJO-UHFFFAOYSA-N 1 0 381.723 2.793 20 0 GFADRO CN(CC(C)(C)[NH3+])S(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCCCO1 ZINC000658388749 565167201 /nfs/dbraw/zinc/16/72/01/565167201.db2.gz NIYLJBUSHFVMOF-CQSZACIVSA-N 1 0 390.933 2.646 20 0 GFADRO Cn1nc2cc(Br)ccc2c1C(=O)N1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000615603161 565167811 /nfs/dbraw/zinc/16/78/11/565167811.db2.gz FSBDEBWGCXVMMT-SFHVURJKSA-N 1 0 391.313 2.894 20 0 GFADRO Cc1cc(Br)c(Cl)cc1NC(=O)C(=O)NCC[C@@H](C)[NH+](C)C ZINC000658428483 565168826 /nfs/dbraw/zinc/16/88/26/565168826.db2.gz LXENFOQWAZZFGM-SNVBAGLBSA-N 1 0 390.709 2.806 20 0 GFADRO C[NH2+]C[C@@H](C)NS(=O)(=O)c1cc(Cl)c(Cl)cc1Br ZINC000658411454 565169326 /nfs/dbraw/zinc/16/93/26/565169326.db2.gz YOHZYDYPDWKCKS-ZCFIWIBFSA-N 1 0 376.103 2.642 20 0 GFADRO C[C@@H](CCNC(=O)C(=O)Nc1cc(F)c(Br)c(Cl)c1)[NH+](C)C ZINC000658424882 565169543 /nfs/dbraw/zinc/16/95/43/565169543.db2.gz BNXFISPDFUHUCX-QMMMGPOBSA-N 1 0 394.672 2.637 20 0 GFADRO C[N@@H+]1C[C@H]2CCN(C(=O)c3cc(Cl)ccc3I)[C@@H]2C1 ZINC000590043584 565175815 /nfs/dbraw/zinc/17/58/15/565175815.db2.gz BQCIKKXVBBFNED-NOZJJQNGSA-N 1 0 390.652 2.721 20 0 GFADRO C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(Cl)c(I)c3)[C@@H]2C1 ZINC000590046632 565176678 /nfs/dbraw/zinc/17/66/78/565176678.db2.gz LDRTWXRASFLSFV-GXFFZTMASA-N 1 0 390.652 2.721 20 0 GFADRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(Cc2ccc(S(N)(=O)=O)c(Cl)c2)C1 ZINC000637950178 565177308 /nfs/dbraw/zinc/17/73/08/565177308.db2.gz BTDKXGZHFVWJRS-IIAWOOMASA-N 1 0 385.961 2.825 20 0 GFADRO O=C(N[C@H]1CCC[NH2+]C1)N1CCc2[nH]c3c(cccc3Br)c2C1 ZINC000637994390 565180008 /nfs/dbraw/zinc/18/00/08/565180008.db2.gz AQFXDQCYBBIMTA-NSHDSACASA-N 1 0 377.286 2.750 20 0 GFADRO CCN(CCC[NH+]1CCCC1)C(=O)C(=O)NCc1ccc(Cl)c(Cl)c1 ZINC000658650717 565181947 /nfs/dbraw/zinc/18/19/47/565181947.db2.gz LAUXFTISAHAKIW-UHFFFAOYSA-N 1 0 386.323 2.944 20 0 GFADRO C[C@H](c1cccc(O)c1)[N@H+](C)Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000638065307 565182888 /nfs/dbraw/zinc/18/28/88/565182888.db2.gz RGGRFWUPCVNGQT-LLVKDONJSA-N 1 0 399.310 2.995 20 0 GFADRO CC[C@@H]1C[N@H+](C)CCCN1C(=O)Cc1ccc(I)cc1 ZINC000590344413 565184573 /nfs/dbraw/zinc/18/45/73/565184573.db2.gz KSXKKIPRMOTLCT-OAHLLOKOSA-N 1 0 386.277 2.776 20 0 GFADRO O=C(Cc1cccc2c1CC[NH2+]C2)NCCOc1ncc(Cl)cc1Cl ZINC000638135535 565185652 /nfs/dbraw/zinc/18/56/52/565185652.db2.gz SRMKCTFRJGRYLK-UHFFFAOYSA-N 1 0 380.275 2.772 20 0 GFADRO C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1cc(F)ccc1I ZINC000590403226 565187350 /nfs/dbraw/zinc/18/73/50/565187350.db2.gz JNUJKXHGIHSFPU-ZANVPECISA-N 1 0 376.213 2.595 20 0 GFADRO CN1CC[C@@H]([NH2+]Cc2nnc3n2CCC3)C[C@@H]1c1ccc(Br)cc1 ZINC000638346252 565192254 /nfs/dbraw/zinc/19/22/54/565192254.db2.gz GYCYIKNOOGPPAL-HZPDHXFCSA-N 1 0 390.329 2.912 20 0 GFADRO COc1nsc(CNCCC[NH+]2C[C@H](C)O[C@@H](C)C2)c1Br ZINC000638320116 565192534 /nfs/dbraw/zinc/19/25/34/565192534.db2.gz WNOKALGSGWBZAI-QWRGUYRKSA-N 1 0 378.336 2.503 20 0 GFADRO COc1nsc(C[NH2+]CCc2nnc3n2CCCCC3)c1Br ZINC000638343769 565192737 /nfs/dbraw/zinc/19/27/37/565192737.db2.gz LVZLSCGVJJTXIK-UHFFFAOYSA-N 1 0 386.319 2.564 20 0 GFADRO COCC[NH2+]C1CCN(C(=O)[C@@H]2C[C@]2(C)c2cccc(Br)c2)CC1 ZINC000638385399 565194067 /nfs/dbraw/zinc/19/40/67/565194067.db2.gz CZJNHZVHPHALQU-PKOBYXMFSA-N 1 0 395.341 2.954 20 0 GFADRO [NH3+]CC12CC(C1)CN2C(=O)c1scc(Br)c1Br ZINC000638419184 565195179 /nfs/dbraw/zinc/19/51/79/565195179.db2.gz VPGJGECXFLRICJ-UHFFFAOYSA-N 1 0 380.105 2.836 20 0 GFADRO CO[C@@H]1C[NH2+][C@@](C)(C(=O)N2CCc3[nH]c4ccc(Br)cc4c3C2)C1 ZINC000638407719 565195715 /nfs/dbraw/zinc/19/57/15/565195715.db2.gz JJULSMBQPKPYTD-KPZWWZAWSA-N 1 0 392.297 2.582 20 0 GFADRO C[C@@H]1CCN(C(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CCCC2)C[C@@H]1[NH3+] ZINC000658973857 565197026 /nfs/dbraw/zinc/19/70/26/565197026.db2.gz NVTMPEWITMLIPE-CJNGLKHVSA-N 1 0 384.929 2.622 20 0 GFADRO CO[C@@H](C[NH2+]CC(=O)Nc1ccc(Br)cc1C)C1CCOCC1 ZINC000638444484 565197114 /nfs/dbraw/zinc/19/71/14/565197114.db2.gz FKZGLUZDFNUUSW-INIZCTEOSA-N 1 0 385.302 2.727 20 0 GFADRO CN(C(=O)c1cc(Br)cc2[nH]c(=O)[nH]c21)C(C)(C)C[NH+]1CCCC1 ZINC000616348509 565198239 /nfs/dbraw/zinc/19/82/39/565198239.db2.gz WTULADHLVYLVJF-UHFFFAOYSA-N 1 0 395.301 2.977 20 0 GFADRO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)Nc2nc(SC)ns2)cc1 ZINC000659000509 565198366 /nfs/dbraw/zinc/19/83/66/565198366.db2.gz SKAZVPBFIDKXTP-STQMWFEESA-N 1 0 379.511 2.536 20 0 GFADRO O=C(NCC12CC(C1)C[NH2+]2)Nc1cnn(-c2ccccc2Br)c1 ZINC000659007048 565198414 /nfs/dbraw/zinc/19/84/14/565198414.db2.gz XFYYTFCSQQVJMR-UHFFFAOYSA-N 1 0 376.258 2.508 20 0 GFADRO Cc1nccnc1C(=O)Nc1cc(Br)ccc1N(C)CC[NH+](C)C ZINC000616422845 565200245 /nfs/dbraw/zinc/20/02/45/565200245.db2.gz KWYFLNRQVILYTF-UHFFFAOYSA-N 1 0 392.301 2.798 20 0 GFADRO [NH3+]C1(CNC(=O)CCCCOc2ccc(Br)cc2)CCOCC1 ZINC000638538163 565200479 /nfs/dbraw/zinc/20/04/79/565200479.db2.gz LHELWHLJNRYZFX-UHFFFAOYSA-N 1 0 385.302 2.622 20 0 GFADRO Cc1cc(C(=O)NCC2([NH3+])CCOCC2)nn1-c1ccc(Cl)cc1Cl ZINC000638540996 565201319 /nfs/dbraw/zinc/20/13/19/565201319.db2.gz XTXKUDLASHFULD-UHFFFAOYSA-N 1 0 383.279 2.725 20 0 GFADRO CC(C)c1n[nH]c(C(=O)N2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)c1Br ZINC000638551778 565201780 /nfs/dbraw/zinc/20/17/80/565201780.db2.gz VLGFBOBFKHNBDO-RKDXNWHRSA-N 1 0 397.239 2.895 20 0 GFADRO Cc1cc(Cl)cc(NC(=O)C(=O)N(C)CC(C)(C)[NH3+])c1Br ZINC000659092841 565201940 /nfs/dbraw/zinc/20/19/40/565201940.db2.gz VQSKKBQALDKVQG-UHFFFAOYSA-N 1 0 376.682 2.545 20 0 GFADRO Cc1nc([C@@H]2CCOC2)sc1C(=O)N1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000638560491 565202970 /nfs/dbraw/zinc/20/29/70/565202970.db2.gz DYAYRTZRMKYLNP-IJLUTSLNSA-N 1 0 377.432 2.555 20 0 GFADRO O=C(Cc1ccc(Br)c(Br)c1)NC[C@@H]1CCC[NH2+]1 ZINC000659293471 565210539 /nfs/dbraw/zinc/21/05/39/565210539.db2.gz DWJNTMGWLDZZLV-JTQLQIEISA-N 1 0 376.092 2.622 20 0 GFADRO CCO[C@@H]1C[C@@]([NH3+])(C(=O)NCc2cc(F)c(Br)cc2F)C1(C)C ZINC000638600284 565204266 /nfs/dbraw/zinc/20/42/66/565204266.db2.gz UKNWFQKTFOMINP-CZUORRHYSA-N 1 0 391.256 2.876 20 0 GFADRO COc1ncc(C(=O)Nc2ccc3c(c2)OCC[NH2+]C3)cc1Br ZINC000638670479 565207139 /nfs/dbraw/zinc/20/71/39/565207139.db2.gz GYQFGRUZHYCMBN-UHFFFAOYSA-N 1 0 378.226 2.587 20 0 GFADRO Brc1cnc2c(CNC3CC[NH+](C4CCCC4)CC3)cnn2c1 ZINC000638738335 565209128 /nfs/dbraw/zinc/20/91/28/565209128.db2.gz ZQZSNRSTAWDZBG-UHFFFAOYSA-N 1 0 378.318 2.988 20 0 GFADRO O=C(c1cc(I)ccc1Cl)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000590899980 565209606 /nfs/dbraw/zinc/20/96/06/565209606.db2.gz DCJGQPWNOCLDEI-VHSXEESVSA-N 1 0 390.652 2.626 20 0 GFADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1sc2c(c1Br)CNC2 ZINC000659284830 565210624 /nfs/dbraw/zinc/21/06/24/565210624.db2.gz HWOWFXOERKOOCO-MNOVXSKESA-N 1 0 384.343 2.813 20 0 GFADRO C[C@@H](Cc1ccc(F)c(Br)c1)[NH2+]Cc1ccc(S(N)(=O)=O)o1 ZINC000638775318 565210872 /nfs/dbraw/zinc/21/08/72/565210872.db2.gz BQSWCQJQXJGIPF-VIFPVBQESA-N 1 0 391.262 2.549 20 0 GFADRO O=C(Cc1ccc(Br)cc1F)Nc1ccc(N2CC[NH2+]CC2)cn1 ZINC000659293969 565211918 /nfs/dbraw/zinc/21/19/18/565211918.db2.gz JHMMDGKPKZBIBA-UHFFFAOYSA-N 1 0 393.260 2.574 20 0 GFADRO O=C(Cc1ccc(Br)c(Br)c1)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000659313782 565212069 /nfs/dbraw/zinc/21/20/69/565212069.db2.gz PLJKMJMCHVIJNZ-UWVGGRQHSA-N 1 0 394.082 2.570 20 0 GFADRO Cc1c(F)c(Br)ccc1C(=O)Nc1ccc(N2CC[NH2+]CC2)cn1 ZINC000659295761 565212157 /nfs/dbraw/zinc/21/21/57/565212157.db2.gz STNNSQOOXPKICI-UHFFFAOYSA-N 1 0 393.260 2.954 20 0 GFADRO CN(Cc1ccc(Br)cc1F)C(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000638829178 565213109 /nfs/dbraw/zinc/21/31/09/565213109.db2.gz MZFWIZZIEPLLBK-JTQLQIEISA-N 1 0 381.249 2.660 20 0 GFADRO O=C(N[C@H]1C[NH2+]CC[C@H]1c1cccc(F)c1)c1ncccc1Br ZINC000659351655 565214082 /nfs/dbraw/zinc/21/40/82/565214082.db2.gz LKHIWJIUJZKYSS-ZFWWWQNUSA-N 1 0 378.245 2.859 20 0 GFADRO O=C(C[NH2+]C[C@@H]1CCCO1)NCC1(Cc2ccc(Br)cc2)CC1 ZINC000659359467 565214307 /nfs/dbraw/zinc/21/43/07/565214307.db2.gz RTIZVVBFXSSFPI-INIZCTEOSA-N 1 0 381.314 2.657 20 0 GFADRO C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC2(CCOCC2)c2ccc(Br)cc21 ZINC000638840471 565214655 /nfs/dbraw/zinc/21/46/55/565214655.db2.gz CJQSUSPAEHIMRT-JSGCOSHPSA-N 1 0 379.298 2.842 20 0 GFADRO C[C@@H]1C[C@H]([NH3+])CN1C(=O)c1ccc(NC(=O)c2ccc(Br)o2)cc1 ZINC000638935608 565217585 /nfs/dbraw/zinc/21/75/85/565217585.db2.gz ANZVHISYOGINOV-PWSUYJOCSA-N 1 0 392.253 2.856 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)CNC(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000616988967 565218510 /nfs/dbraw/zinc/21/85/10/565218510.db2.gz AWUPJVFBXIXWGB-LBPRGKRZSA-N 1 0 386.323 2.960 20 0 GFADRO COCC[NH2+]CCNC(=O)N[C@H]1CCCCc2cc(Br)ccc21 ZINC000659527467 565219031 /nfs/dbraw/zinc/21/90/31/565219031.db2.gz LMVDRULLUREEHF-INIZCTEOSA-N 1 0 384.318 2.752 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCO[C@H]1c1cncc(Br)c1 ZINC000617005895 565219677 /nfs/dbraw/zinc/21/96/77/565219677.db2.gz QMMZDOOLKGHNNP-OAGGEKHMSA-N 1 0 396.329 2.911 20 0 GFADRO O=C(NC[C@@H]1CCCC[NH2+]1)Nc1cc(F)c(I)c(F)c1 ZINC000591284682 565220851 /nfs/dbraw/zinc/22/08/51/565220851.db2.gz GIRDVMHZYUDCNY-QMMMGPOBSA-N 1 0 395.191 2.833 20 0 GFADRO Cc1cc(I)ccc1NC(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000591271975 565221063 /nfs/dbraw/zinc/22/10/63/565221063.db2.gz TYCCEIIRJICIDT-DRZSPHRISA-N 1 0 385.249 2.801 20 0 GFADRO C[C@H](CNC(=O)[C@H]1CCN(c2cc(Cl)ccc2Cl)C1=O)[NH+]1CCCC1 ZINC000591284497 565221175 /nfs/dbraw/zinc/22/11/75/565221175.db2.gz UOYYFPIEVUKWMS-TZMCWYRMSA-N 1 0 384.307 2.947 20 0 GFADRO COc1cc(CNC[C@@H]2CCCC[NH2+]2)cc(I)c1OC ZINC000591275690 565221246 /nfs/dbraw/zinc/22/12/46/565221246.db2.gz ZJWBGOPISOGTJI-LBPRGKRZSA-N 1 0 390.265 2.540 20 0 GFADRO COC(=O)c1cc(NC(=O)N2CC[C@@H]([NH3+])[C@H](C)C2)c(Br)cc1F ZINC000591287270 565221942 /nfs/dbraw/zinc/22/19/42/565221942.db2.gz KEWLAXSCHJYTQP-PRHODGIISA-N 1 0 388.237 2.576 20 0 GFADRO O=C(NCC[NH2+]C1CC1)Nc1cc(I)ccc1Cl ZINC000591288895 565222026 /nfs/dbraw/zinc/22/20/26/565222026.db2.gz VKIYPQDREWLJBG-UHFFFAOYSA-N 1 0 379.629 2.818 20 0 GFADRO CN(CC(C)(C)[NH3+])C(=O)C(=O)NCC1(c2ccc(Cl)cc2Cl)CCC1 ZINC000659687187 565222443 /nfs/dbraw/zinc/22/24/43/565222443.db2.gz GFGMQYCVIULCGE-UHFFFAOYSA-N 1 0 386.323 2.727 20 0 GFADRO COc1ncc(C(=O)N2CC[C@@H](C[NH3+])c3ccccc32)cc1Br ZINC000639066521 565223112 /nfs/dbraw/zinc/22/31/12/565223112.db2.gz WSMIHTOQXLSZBR-NSHDSACASA-N 1 0 376.254 2.946 20 0 GFADRO CNC(=O)[C@@H]([NH2+][C@H]1CCN(C)[C@@H](c2ccc(Br)cc2)C1)C(C)C ZINC000639112185 565226425 /nfs/dbraw/zinc/22/64/25/565226425.db2.gz OHLTXGBSJHGZRO-BBWFWOEESA-N 1 0 382.346 2.945 20 0 GFADRO COc1ncc(Br)cc1CN1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000659839091 565226751 /nfs/dbraw/zinc/22/67/51/565226751.db2.gz RPIVVCQEMLQKNT-MRXNPFEDSA-N 1 0 384.318 2.539 20 0 GFADRO Cc1cc(CNc2cccc(S(=O)(=O)NCCCC[NH+](C)C)c2)sn1 ZINC000639157593 565230507 /nfs/dbraw/zinc/23/05/07/565230507.db2.gz OONKGHFUDYBVAL-UHFFFAOYSA-N 1 0 382.555 2.684 20 0 GFADRO CC[NH+](CC)CCN(CCOC)C(=O)NCc1ccccc1Br ZINC000591578867 565234373 /nfs/dbraw/zinc/23/43/73/565234373.db2.gz CAQGPWVCGCDPGH-UHFFFAOYSA-N 1 0 386.334 2.949 20 0 GFADRO COc1ccc(C[C@H](CO)C[NH2+]C2CC(n3cccn3)C2)cc1Br ZINC000639242295 565234913 /nfs/dbraw/zinc/23/49/13/565234913.db2.gz DNTZZJBJCVZIMQ-FHERZECASA-N 1 0 394.313 2.799 20 0 GFADRO CN1CC[C@H]([NH2+]CCN2CCC(O)CC2)C[C@H]1c1ccc(Br)cc1 ZINC000639234977 565234976 /nfs/dbraw/zinc/23/49/76/565234976.db2.gz DPZGEDFOJREQIN-HKUYNNGSSA-N 1 0 396.373 2.631 20 0 GFADRO C[C@@H](c1ccc(S(C)(=O)=O)cc1)N1CCC([NH2+]Cc2ccns2)CC1 ZINC000639246980 565235805 /nfs/dbraw/zinc/23/58/05/565235805.db2.gz QONJEVJMEMEAGU-AWEZNQCLSA-N 1 0 379.551 2.862 20 0 GFADRO C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)C1 ZINC000617414796 565236893 /nfs/dbraw/zinc/23/68/93/565236893.db2.gz QQPRZDZUNRPKEV-CVEARBPZSA-N 1 0 384.307 2.808 20 0 GFADRO COC(=O)C1CCC([NH2+]C[C@@H](O)COc2ccc(Br)cc2)CC1 ZINC000591736169 565237799 /nfs/dbraw/zinc/23/77/99/565237799.db2.gz LQVAGWQCDCHRNB-PESDSKBTSA-N 1 0 386.286 2.510 20 0 GFADRO CS(=O)(=O)CC1(CC[NH2+]Cc2c(C(F)(F)F)nc3n2CCCC3)CC1 ZINC000639303621 565239256 /nfs/dbraw/zinc/23/92/56/565239256.db2.gz MWOUAWIGMRBTDQ-UHFFFAOYSA-N 1 0 379.448 2.543 20 0 GFADRO CN1CC(=O)N(CC[NH2+]C2(c3ccc(Br)cc3)CCCC2)C1=O ZINC000660032914 565240898 /nfs/dbraw/zinc/24/08/98/565240898.db2.gz UKZLKMIPKJJTMP-UHFFFAOYSA-N 1 0 380.286 2.702 20 0 GFADRO C[C@@H](C[NH2+]CCn1ccc(C(F)(F)F)n1)c1ccc(S(C)(=O)=O)cc1 ZINC000639396454 565244517 /nfs/dbraw/zinc/24/45/17/565244517.db2.gz ADOFZARPEIDQHT-LBPRGKRZSA-N 1 0 375.416 2.699 20 0 GFADRO CCN(C(=O)c1nn(-c2ccc(F)cc2)cc1Br)[C@H]1CC[N@H+](C)C1 ZINC000617554721 565245482 /nfs/dbraw/zinc/24/54/82/565245482.db2.gz INNAMCACZXUJBE-AWEZNQCLSA-N 1 0 395.276 2.940 20 0 GFADRO CCN1CC[C@@H]([NH+]2CCC(C(=O)Nc3cccc(Br)c3)CC2)C1=O ZINC000660057510 565245727 /nfs/dbraw/zinc/24/57/27/565245727.db2.gz XZIBUGXOYZKOEZ-MRXNPFEDSA-N 1 0 394.313 2.720 20 0 GFADRO O=C(Nc1ccc(Br)cn1)[C@H]1CCC[N@H+](CCc2cnccn2)C1 ZINC000639523205 565249913 /nfs/dbraw/zinc/24/99/13/565249913.db2.gz XVIQYPRDQAIJQJ-ZDUSSCGKSA-N 1 0 390.285 2.527 20 0 GFADRO CCN(CC(F)(F)F)C(=O)C[NH2+][C@H](C)c1ccc(S(=O)(=O)CC)cc1 ZINC000639632948 565252772 /nfs/dbraw/zinc/25/27/72/565252772.db2.gz KTPWYELRPBLEPA-GFCCVEGCSA-N 1 0 380.432 2.542 20 0 GFADRO COc1ncc(Br)cc1CN1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000660115992 565254605 /nfs/dbraw/zinc/25/46/05/565254605.db2.gz FXFUITCQZWINQA-OWCLPIDISA-N 1 0 384.318 2.536 20 0 GFADRO O=C(C[N@@H+]1CC[C@H]([C@H]2CCOC2)C1)c1c[nH]c2ncc(Br)cc12 ZINC000660119689 565254835 /nfs/dbraw/zinc/25/48/35/565254835.db2.gz USPXPCMJVAEDDP-RYUDHWBXSA-N 1 0 378.270 2.867 20 0 GFADRO COCC[N@@H+]1CCC[C@H](NC(=O)CCOc2ccc(Cl)c(Cl)c2)C1 ZINC000592094376 565255158 /nfs/dbraw/zinc/25/51/58/565255158.db2.gz HCRQFRZUZBXBRA-ZDUSSCGKSA-N 1 0 375.296 2.989 20 0 GFADRO COCC[N@@H+]1CCC[C@@H](NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)C1 ZINC000592105117 565257054 /nfs/dbraw/zinc/25/70/54/565257054.db2.gz TZHOZHVVZOMETB-GXTWGEPZSA-N 1 0 375.296 2.988 20 0 GFADRO Nc1nnc(C2CC[NH+](CCOc3cc(F)cc(Br)c3)CC2)o1 ZINC000639739392 565258379 /nfs/dbraw/zinc/25/83/79/565258379.db2.gz OQVZTXZQCMLNEP-UHFFFAOYSA-N 1 0 385.237 2.812 20 0 GFADRO C[NH+](C)C[C@@]1(O)CCCN(Cc2coc(-c3ccc(Br)cc3)n2)C1 ZINC000639765437 565258799 /nfs/dbraw/zinc/25/87/99/565258799.db2.gz ZIYHADIMHMAMCM-SFHVURJKSA-N 1 0 394.313 2.993 20 0 GFADRO C[NH+](C)C[C@H]1COC2(CCCC2)CN1S(=O)(=O)Cc1ccc(Cl)cc1 ZINC000660149125 565259523 /nfs/dbraw/zinc/25/95/23/565259523.db2.gz ALXHLSSFHOFJFO-KRWDZBQOSA-N 1 0 386.945 2.745 20 0 GFADRO Cc1cccc(S(=O)(=O)N2CC3(CCCC3)OC[C@H]2C[NH+](C)C)c1Cl ZINC000660149116 565259715 /nfs/dbraw/zinc/25/97/15/565259715.db2.gz AHSNXGOCMPUZEQ-OAHLLOKOSA-N 1 0 386.945 2.912 20 0 GFADRO FC(F)(F)c1ccc(C[N@H+](CCN2CCOCC2)[C@H]2CCSC2)nc1 ZINC000639772280 565259797 /nfs/dbraw/zinc/25/97/97/565259797.db2.gz ZQSOJJTZOKPMBX-INIZCTEOSA-N 1 0 375.460 2.740 20 0 GFADRO C[NH+](C)CCC[C@@H]1CN(S(=O)(=O)c2c(Cl)cc(F)cc2Cl)CCO1 ZINC000660155978 565261040 /nfs/dbraw/zinc/26/10/40/565261040.db2.gz IMBZWZBPFDVJTL-GFCCVEGCSA-N 1 0 399.315 2.864 20 0 GFADRO COC(=O)[C@@H]1C[C@@H](O)C[N@H+](CCSc2ccnc3cc(Cl)ccc32)C1 ZINC000592203954 565261638 /nfs/dbraw/zinc/26/16/38/565261638.db2.gz IBUVCRHFFIMVEI-TZMCWYRMSA-N 1 0 380.897 2.836 20 0 GFADRO C[C@@H]1CN(CC[NH2+]C(C)(C)COc2ncccc2Br)C[C@@H](C)O1 ZINC000660164653 565262919 /nfs/dbraw/zinc/26/29/19/565262919.db2.gz QNFQGESQLFKNTJ-ZIAGYGMSSA-N 1 0 386.334 2.700 20 0 GFADRO O=C(NCC1CC[NH+](Cc2ccncc2)CC1)c1cc(Br)c[nH]1 ZINC000617978505 565270085 /nfs/dbraw/zinc/27/00/85/565270085.db2.gz FLJVCVIVLDCLQU-UHFFFAOYSA-N 1 0 377.286 2.814 20 0 GFADRO COc1cc(NC(=O)N2CC[C@H]([NH+]3CCCC3)[C@H]2C)ncc1Br ZINC000639965897 565271021 /nfs/dbraw/zinc/27/10/21/565271021.db2.gz VDPTWVONWDQYKV-YPMHNXCESA-N 1 0 383.290 2.943 20 0 GFADRO C[C@H](C(=O)N1CCC[C@H]1c1cccs1)N1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000640055013 565277757 /nfs/dbraw/zinc/27/77/57/565277757.db2.gz PHELPMPPMRGTBB-RQJABVFESA-N 1 0 376.444 2.903 20 0 GFADRO COc1ncc(Br)cc1CN1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000660472544 565278293 /nfs/dbraw/zinc/27/82/93/565278293.db2.gz GQXBXKLUBCKPSZ-INIZCTEOSA-N 1 0 384.318 2.539 20 0 GFADRO Cc1c(C(=O)N(C)CC2C[NH+](C)C2)cnn1-c1cccc(Br)c1 ZINC000618193834 565279936 /nfs/dbraw/zinc/27/99/36/565279936.db2.gz GJOCYOVVCYVSFK-UHFFFAOYSA-N 1 0 377.286 2.577 20 0 GFADRO Cc1nnc(CN(C)C(=O)NCC2CC[NH+](Cc3cccs3)CC2)s1 ZINC000660512316 565279999 /nfs/dbraw/zinc/27/99/99/565279999.db2.gz UUGJDOPVVWLLRN-UHFFFAOYSA-N 1 0 379.555 2.962 20 0 GFADRO Cc1nn(C)c(NC(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)c1Br ZINC000640163477 565281589 /nfs/dbraw/zinc/28/15/89/565281589.db2.gz LJXMARYGHNFGEX-AWEZNQCLSA-N 1 0 394.317 2.785 20 0 GFADRO CC(C)CNC(=O)CCC[NH2+][C@H](CO)c1ccc(Br)c(F)c1 ZINC000660616777 565285739 /nfs/dbraw/zinc/28/57/39/565285739.db2.gz PVPALHUKKYVRKG-OAHLLOKOSA-N 1 0 375.282 2.764 20 0 GFADRO C[NH+](C)C1CCN(CCNC(=O)Nc2cscc2Br)CC1 ZINC000640192981 565287427 /nfs/dbraw/zinc/28/74/27/565287427.db2.gz QWBOGYKPTXDTER-UHFFFAOYSA-N 1 0 375.336 2.658 20 0 GFADRO C[N@@H+]1CC[C@@]2(C1)CCCN(CC(=O)Nc1ccc(Br)cc1F)C2 ZINC000660658410 565287712 /nfs/dbraw/zinc/28/77/12/565287712.db2.gz ZGQGHFVDYWIBRX-QGZVFWFLSA-N 1 0 384.293 2.944 20 0 GFADRO CC(C)C[NH2+]C1(CO)CCN(CCOc2ccccc2Br)CC1 ZINC000660694769 565289268 /nfs/dbraw/zinc/28/92/68/565289268.db2.gz HCBIKEJICNTXQJ-UHFFFAOYSA-N 1 0 385.346 2.900 20 0 GFADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1Cc2ccc(C)c(Br)c2C1 ZINC000660700703 565289466 /nfs/dbraw/zinc/28/94/66/565289466.db2.gz LYYMIBZLQZFNCZ-OAHLLOKOSA-N 1 0 396.329 2.894 20 0 GFADRO Cn1ncc(Br)c1C(=O)N1CC[C@H]([N@H+](C)CCc2ccccc2)C1 ZINC000618351322 565292006 /nfs/dbraw/zinc/29/20/06/565292006.db2.gz VHJSMUYCEMWZAL-HNNXBMFYSA-N 1 0 391.313 2.572 20 0 GFADRO CN(C(=O)c1ccn(CC[NH+](C)C)n1)[C@H](CO)c1cccc(Cl)c1Cl ZINC000618343368 565292113 /nfs/dbraw/zinc/29/21/13/565292113.db2.gz XHICYPKVUTVWJT-OAHLLOKOSA-N 1 0 385.295 2.557 20 0 GFADRO CC[N@@H+]1CCCN(C[C@H](O)COc2cc(F)cc(Br)c2)[C@H](C)C1 ZINC000660788336 565294500 /nfs/dbraw/zinc/29/45/00/565294500.db2.gz YHKAGAYDGBXAHN-CJNGLKHVSA-N 1 0 389.309 2.744 20 0 GFADRO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)Nc1nn(CC(F)(F)F)cc1Cl ZINC000640293773 565294882 /nfs/dbraw/zinc/29/48/82/565294882.db2.gz YEPGWSORTLDYHD-QWRGUYRKSA-N 1 0 381.830 3.483 20 0 GFADRO C[C@H](C[N@H+](C)CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl)C(C)(C)C ZINC000640351101 565303194 /nfs/dbraw/zinc/30/31/94/565303194.db2.gz XBYYIVRZLBYLCJ-LLVKDONJSA-N 1 0 375.922 2.540 20 0 GFADRO CC(C)[NH+]1CCC(NC(=O)Nc2nnc(C(F)(F)C(F)(F)F)s2)CC1 ZINC000640383280 565303951 /nfs/dbraw/zinc/30/39/51/565303951.db2.gz IAWUNJDMONDPPZ-UHFFFAOYSA-N 1 0 387.378 3.187 20 0 GFADRO CC[NH+]1CCN(CC(=O)NCC2(Cc3ccc(Br)cc3)CC2)CC1 ZINC000618539625 565305322 /nfs/dbraw/zinc/30/53/22/565305322.db2.gz QFJJZTFTYTWKCB-UHFFFAOYSA-N 1 0 394.357 2.526 20 0 GFADRO CSCC[C@@H]([NH3+])C(=O)N1CCN([C@H](C)c2nc3ccccc3s2)CC1 ZINC000592962111 565305391 /nfs/dbraw/zinc/30/53/91/565305391.db2.gz WNSCYQOXOIFCTL-ZIAGYGMSSA-N 1 0 378.567 2.582 20 0 GFADRO CCC(CC)[C@H](CNS(=O)(=O)c1ccc([C@H](C)NC(C)=O)s1)[NH+](C)C ZINC000618540095 565305582 /nfs/dbraw/zinc/30/55/82/565305582.db2.gz SSJMPFAZRWSMQA-WFASDCNBSA-N 1 0 389.587 2.590 20 0 GFADRO CCn1ccnc1[C@@H](C)NC(=O)Nc1nnc(C(F)(F)C(F)(F)F)s1 ZINC000640386335 565305610 /nfs/dbraw/zinc/30/56/10/565305610.db2.gz FVBLYZKVBLLWQT-ZCFIWIBFSA-N 1 0 384.334 3.291 20 0 GFADRO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[N@H+](CCOCCO)C1CCC1 ZINC000661101767 565306497 /nfs/dbraw/zinc/30/64/97/565306497.db2.gz QBSLFXSDTMGVQV-UHFFFAOYSA-N 1 0 389.323 2.815 20 0 GFADRO CCCN(C(=O)Nc1nnc(C(F)(F)C(F)(F)F)s1)[C@H]1CC[N@H+](C)C1 ZINC000640387204 565306828 /nfs/dbraw/zinc/30/68/28/565306828.db2.gz NPQDSXVJALMPCG-QMMMGPOBSA-N 1 0 387.378 3.140 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)NCCCCn2cc(Br)cn2)C1 ZINC000661100388 565306956 /nfs/dbraw/zinc/30/69/56/565306956.db2.gz QARMULSZWFTPCW-AWEZNQCLSA-N 1 0 386.338 2.598 20 0 GFADRO COC[C@@H]([NH2+]Cc1nc2ccc(Br)cc2n1C)C1CCOCC1 ZINC000661157458 565309496 /nfs/dbraw/zinc/30/94/96/565309496.db2.gz FZHKYHLMVJXCLM-OAHLLOKOSA-N 1 0 382.302 2.867 20 0 GFADRO COC[C@@H]([NH2+]CCC(=O)Nc1cccc(Br)c1)C1CCOCC1 ZINC000661155321 565310464 /nfs/dbraw/zinc/31/04/64/565310464.db2.gz AFFUCODGNMPXCJ-MRXNPFEDSA-N 1 0 385.302 2.809 20 0 GFADRO COC[C@H]([NH2+]CC(=O)Nc1ccc(C)cc1Br)C1CCOCC1 ZINC000661158970 565311518 /nfs/dbraw/zinc/31/15/18/565311518.db2.gz RCPUFSFOYRWGEL-INIZCTEOSA-N 1 0 385.302 2.727 20 0 GFADRO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)N[C@H](C)c1ncc(Br)cn1 ZINC000661237476 565314793 /nfs/dbraw/zinc/31/47/93/565314793.db2.gz XMMFRBMBSMELKY-CHWSQXEVSA-N 1 0 384.322 2.720 20 0 GFADRO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)N[C@@H](C)c1ncc(Br)cn1 ZINC000661237479 565314911 /nfs/dbraw/zinc/31/49/11/565314911.db2.gz XMMFRBMBSMELKY-STQMWFEESA-N 1 0 384.322 2.720 20 0 GFADRO CO[C@@H]1CCC[C@@H]([C@@H](CO)[NH2+]Cc2cn3cc(Br)ccc3n2)C1 ZINC000661217305 565315014 /nfs/dbraw/zinc/31/50/14/565315014.db2.gz HYSXWWLGUYGIIL-DAXOMENPSA-N 1 0 382.302 2.753 20 0 GFADRO C[C@H]1CCC[N@H+](CC(=O)c2c[nH]c3ncc(Br)cc23)[C@@H]1CCO ZINC000661500795 565326148 /nfs/dbraw/zinc/32/61/48/565326148.db2.gz UPRKDMVRVVDSHF-XHDPSFHLSA-N 1 0 380.286 2.991 20 0 GFADRO C[C@H](C(=O)Nc1ccc(Br)cc1)n1cc(C[C@@H]2CCC[NH2+]C2)nn1 ZINC000640800722 565327615 /nfs/dbraw/zinc/32/76/15/565327615.db2.gz IARDGBSQOOSUND-OLZOCXBDSA-N 1 0 392.301 2.782 20 0 GFADRO CC[NH+]1CCC(NC(=O)Cn2cc(-c3cc(Cl)cc(Cl)c3)nn2)CC1 ZINC000640867163 565332829 /nfs/dbraw/zinc/33/28/29/565332829.db2.gz OEGBVAOENUEQQG-UHFFFAOYSA-N 1 0 382.295 2.852 20 0 GFADRO CC[NH2+]Cc1ccn(Cc2cn(Cc3ccc(F)c(Br)c3)nn2)n1 ZINC000640934762 565337481 /nfs/dbraw/zinc/33/74/81/565337481.db2.gz BCJIKGXJUFRWNM-UHFFFAOYSA-N 1 0 393.264 2.582 20 0 GFADRO CCC[C@@H]([NH3+])c1cn(Cc2nc(Cc3cccc(Br)c3)no2)nn1 ZINC000641042869 565343157 /nfs/dbraw/zinc/34/31/57/565343157.db2.gz SVUPEXHULRRKPY-CYBMUJFWSA-N 1 0 391.273 2.863 20 0 GFADRO CC(C)N1CCC[C@@H](n2cc([C@@H]([NH3+])c3ccc(Br)cc3)nn2)C1=O ZINC000641118134 565346780 /nfs/dbraw/zinc/34/67/80/565346780.db2.gz UQUBZBCSOARVNZ-CVEARBPZSA-N 1 0 392.301 2.661 20 0 GFADRO O=C(CC[N@@H+]1CC[C@H](CN2CCCC2=O)C1)Nc1ccccc1Br ZINC000662051648 565347289 /nfs/dbraw/zinc/34/72/89/565347289.db2.gz CPPBVBVSNALYDL-AWEZNQCLSA-N 1 0 394.313 2.722 20 0 GFADRO O=C1CCCN1C[C@@H]1CC[N@@H+](C[C@@H](O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000662060427 565348658 /nfs/dbraw/zinc/34/86/58/565348658.db2.gz KYYGWTFVPBPZPI-ZIAGYGMSSA-N 1 0 387.307 2.677 20 0 GFADRO C[C@@H](c1ncc(Br)cn1)n1cc(C[C@@H]([NH3+])Cc2ccccc2)nn1 ZINC000641176279 565352210 /nfs/dbraw/zinc/35/22/10/565352210.db2.gz MWVQYICNRUYWKH-WFASDCNBSA-N 1 0 387.285 2.552 20 0 GFADRO COCC[C@@H]([NH3+])Cc1cn(Cc2cc(Cl)c(C)cc2Br)nn1 ZINC000641171770 565352495 /nfs/dbraw/zinc/35/24/95/565352495.db2.gz WKRBMKMHXPNRRF-GFCCVEGCSA-N 1 0 387.709 2.957 20 0 GFADRO O=C(CCN1CCC([N@@H+]2CC[C@@H](O)C2)CC1)Nc1cc(Cl)ccc1Cl ZINC000662153741 565353219 /nfs/dbraw/zinc/35/32/19/565353219.db2.gz UEKJJRBVWDFQKK-OAHLLOKOSA-N 1 0 386.323 2.853 20 0 GFADRO O=C(NCCc1ccc(I)s1)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000593904548 565367542 /nfs/dbraw/zinc/36/75/42/565367542.db2.gz YUXWNKRIKCELTG-VXGBXAGGSA-N 1 0 390.290 2.542 20 0 GFADRO COc1cnc(NCc2ccc(N3CC[NH+](C)CC3)nc2)c(Br)c1 ZINC000641274632 565357414 /nfs/dbraw/zinc/35/74/14/565357414.db2.gz KFFGJCBQEYBMAE-UHFFFAOYSA-N 1 0 392.301 2.612 20 0 GFADRO OCC1(NCc2csc(-c3ccc(Br)cc3)n2)CC[NH2+]CC1 ZINC000662287004 565358820 /nfs/dbraw/zinc/35/88/20/565358820.db2.gz PFNSAPBENJSQRJ-UHFFFAOYSA-N 1 0 382.327 2.777 20 0 GFADRO [NH3+][C@H]1CCc2ccccc2N(CC(=O)Nc2ccc(Br)cn2)C1 ZINC000662301103 565358925 /nfs/dbraw/zinc/35/89/25/565358925.db2.gz CGHAPEVTABKZKM-AWEZNQCLSA-N 1 0 375.270 2.563 20 0 GFADRO Brc1cc2c(cc1Br)CN(C[C@@H]1C[NH2+]CCO1)CC2 ZINC000662314726 565360437 /nfs/dbraw/zinc/36/04/37/565360437.db2.gz BICPJZMHRQWGSL-LBPRGKRZSA-N 1 0 390.119 2.558 20 0 GFADRO C[C@@H](C(=O)Nc1cccc(Br)c1)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662321459 565360899 /nfs/dbraw/zinc/36/08/99/565360899.db2.gz IPJCUTLUEQTACS-YOEHRIQHSA-N 1 0 398.345 2.819 20 0 GFADRO C[C@H](C(=O)Nc1ccc(Br)cc1)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662320926 565360983 /nfs/dbraw/zinc/36/09/83/565360983.db2.gz KNWKXGHQMGOAMW-PBHICJAKSA-N 1 0 398.345 2.819 20 0 GFADRO CCC[N@@H+]1CC[C@@H](NC(=O)C2CCN(C(=O)c3ccc(Cl)s3)CC2)C1 ZINC000619896046 565361898 /nfs/dbraw/zinc/36/18/98/565361898.db2.gz YMDLAMQKZHCNPZ-CQSZACIVSA-N 1 0 383.945 2.854 20 0 GFADRO CCC[N@@H+]1CC[C@H](NC(=O)C2(c3cccc(Br)c3)CC(=O)C2)C1 ZINC000619902612 565363710 /nfs/dbraw/zinc/36/37/10/565363710.db2.gz LSEAWHFTDPFAKD-HNNXBMFYSA-N 1 0 379.298 2.650 20 0 GFADRO C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)c1cc2c(s1)CC[NH2+]C2 ZINC000662377158 565364831 /nfs/dbraw/zinc/36/48/31/565364831.db2.gz KHEZPVAYGDEZDG-GFCCVEGCSA-N 1 0 378.519 2.631 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)c1cn([C@@H]2CCC[NH2+]CC2)nn1 ZINC000662443461 565368923 /nfs/dbraw/zinc/36/89/23/565368923.db2.gz OBCNJTWCFFKEPS-CYBMUJFWSA-N 1 0 378.274 2.916 20 0 GFADRO CC(C)OC[C@H]([NH3+])C(=O)NC[C@H](C)Sc1ccc(Br)cc1 ZINC000662453914 565370367 /nfs/dbraw/zinc/37/03/67/565370367.db2.gz YULSZECWJLUZTR-FZMZJTMJSA-N 1 0 375.332 2.798 20 0 GFADRO N[C@H](C(=O)N1CCC(C[NH+]2CCCC2)CC1)c1ccccc1Br ZINC000662473423 565370916 /nfs/dbraw/zinc/37/09/16/565370916.db2.gz IXVNNPBKIMVDRM-KRWDZBQOSA-N 1 0 380.330 2.783 20 0 GFADRO N[C@H](C(=O)NC1CC[NH+](C2CCCC2)CC1)c1ccccc1Br ZINC000662490244 565371218 /nfs/dbraw/zinc/37/12/18/565371218.db2.gz AVGVEJMHBKIJGH-KRWDZBQOSA-N 1 0 380.330 2.972 20 0 GFADRO CC[C@H](c1ccc(Br)cc1)N1CCN(C(=O)NC[C@H](C)[NH3+])CC1 ZINC000641424561 565371405 /nfs/dbraw/zinc/37/14/05/565371405.db2.gz KRNUZRNLCWPWFF-XJKSGUPXSA-N 1 0 383.334 2.575 20 0 GFADRO N[C@H](C(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1)c1ccccc1Br ZINC000662523348 565374431 /nfs/dbraw/zinc/37/44/31/565374431.db2.gz PWQPZVXDMVBIES-CPUCHLNUSA-N 1 0 380.330 2.687 20 0 GFADRO O=C(c1cc(-c2ccc(Br)cc2)no1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000662522155 565375206 /nfs/dbraw/zinc/37/52/06/565375206.db2.gz VZVSOCZHARVALJ-OCCSQVGLSA-N 1 0 376.254 2.928 20 0 GFADRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)c2cc(I)ccc2F)C1 ZINC000594102210 565375729 /nfs/dbraw/zinc/37/57/29/565375729.db2.gz ILKYHZWMWLVILS-JGZJWPJOSA-N 1 0 376.213 2.500 20 0 GFADRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)Cc1ccc(Br)c(Br)c1 ZINC000662557295 565376967 /nfs/dbraw/zinc/37/69/67/565376967.db2.gz HDFMWFTYFLJRCB-TVQRCGJNSA-N 1 0 390.119 2.868 20 0 GFADRO O=C(c1sc2c(c1Br)CNC2)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662590839 565378552 /nfs/dbraw/zinc/37/85/52/565378552.db2.gz OVYXLZIABZXMBP-LBPRGKRZSA-N 1 0 398.370 2.966 20 0 GFADRO O=C(c1cn([C@@H]2CCC[NH2+]CC2)nn1)N1CCc2ccc(Br)cc21 ZINC000662600239 565379377 /nfs/dbraw/zinc/37/93/77/565379377.db2.gz FAQODYREYFQTFE-CQSZACIVSA-N 1 0 390.285 2.558 20 0 GFADRO CN1CCc2c(cccc2S(=O)(=O)N[C@@H](c2nccs2)C(F)(F)F)C1 ZINC000641514915 565379829 /nfs/dbraw/zinc/37/98/29/565379829.db2.gz QDWJLVRLGGOHOH-ZDUSSCGKSA-N 1 0 391.440 2.713 20 0 GFADRO [NH3+]C1(CNC(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)CCCC1 ZINC000662652986 565380664 /nfs/dbraw/zinc/38/06/64/565380664.db2.gz TUZHOAGCCMENOJ-HNNXBMFYSA-N 1 0 384.307 2.986 20 0 GFADRO CS[C@@H]1CN(C(=O)c2ccc(OCC(F)(F)F)o2)C[C@@H]1[NH+]1CCCC1 ZINC000594339848 565382108 /nfs/dbraw/zinc/38/21/08/565382108.db2.gz WJMOTJBVCPPJHT-WCQYABFASA-N 1 0 378.416 2.873 20 0 GFADRO O=C(N[C@@H]1CCCN(c2ccccc2Cl)C1)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662726914 565383727 /nfs/dbraw/zinc/38/37/27/565383727.db2.gz JQDRDBAMPXQGOA-WBMJQRKESA-N 1 0 375.822 2.967 20 0 GFADRO O=C([C@@H]1C[C@H]1c1ccc(Br)cc1)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000620476039 565385214 /nfs/dbraw/zinc/38/52/14/565385214.db2.gz ZWTMDGCNFZHOOE-OKZBNKHCSA-N 1 0 393.325 2.610 20 0 GFADRO O=C(N[C@@H]1COc2cc(F)c(Br)cc21)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662811097 565385425 /nfs/dbraw/zinc/38/54/25/565385425.db2.gz GUVIVQOOUDAQPJ-MFKMUULPSA-N 1 0 397.166 2.680 20 0 GFADRO Cc1nc(-c2cccs2)sc1C(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000620490827 565386045 /nfs/dbraw/zinc/38/60/45/565386045.db2.gz LBDQPOLLEPYQDP-CQSZACIVSA-N 1 0 377.535 2.851 20 0 GFADRO CC(C)[NH2+]C1(CO)CCN(c2ncnc(C(F)(F)F)c2Br)CC1 ZINC000641617090 565386961 /nfs/dbraw/zinc/38/69/61/565386961.db2.gz ZWQOOYPAJUNOGM-UHFFFAOYSA-N 1 0 397.239 2.587 20 0 GFADRO CC(C)([NH3+])c1cc(C(=O)N2CCOc3cccc(Br)c3C2)on1 ZINC000662832198 565387142 /nfs/dbraw/zinc/38/71/42/565387142.db2.gz RZHYSLRKBPRTKM-UHFFFAOYSA-N 1 0 380.242 2.666 20 0 GFADRO Ic1ccc(OCC[NH2+][C@@H]2CCCn3ccnc32)cc1 ZINC000594503670 565397178 /nfs/dbraw/zinc/39/71/78/565397178.db2.gz GTPWROWYNIVYFF-CQSZACIVSA-N 1 0 383.233 2.991 20 0 GFADRO Cc1nn(C)c(C[NH2+][C@@H](CO)Cc2c[nH]c3ccccc23)c1Br ZINC000641728600 565397428 /nfs/dbraw/zinc/39/74/28/565397428.db2.gz VTCRLGIICMKCEL-CYBMUJFWSA-N 1 0 377.286 2.666 20 0 GFADRO O=C(Nc1ccc(Br)cn1)[C@@H]1CCC[N@@H+](CCC2(O)CCC2)C1 ZINC000663172319 565397667 /nfs/dbraw/zinc/39/76/67/565397667.db2.gz IPZUGDAHOOZEQT-CYBMUJFWSA-N 1 0 382.302 2.800 20 0 GFADRO CN(C)c1cc[nH+]cc1CNc1nn(CC(F)(F)F)cc1Br ZINC000641779015 565398355 /nfs/dbraw/zinc/39/83/55/565398355.db2.gz ATVKEIMTZKKDIC-UHFFFAOYSA-N 1 0 378.196 3.281 20 0 GFADRO C[C@@H]([NH2+][C@H]1CCCN(CCN2CCOCC2)C1)c1ccccc1Br ZINC000641785770 565399522 /nfs/dbraw/zinc/39/95/22/565399522.db2.gz DTCVSUIIEBINHZ-SJORKVTESA-N 1 0 396.373 2.896 20 0 GFADRO C[NH+](C)C[C@@H]1COC2(CCCC2)CN1C(=O)c1csc(C(F)(F)F)n1 ZINC000620911045 565401017 /nfs/dbraw/zinc/40/10/17/565401017.db2.gz CNLWQROHCVYNMZ-LLVKDONJSA-N 1 0 377.432 2.877 20 0 GFADRO CC[C@H](c1ccc(Br)cc1)N1CCN(C(=O)NC/C=C\C[NH3+])CC1 ZINC000641862040 565401067 /nfs/dbraw/zinc/40/10/67/565401067.db2.gz IHHBDHIELIJAMH-CWIOURORSA-N 1 0 395.345 2.742 20 0 GFADRO C[NH+](C)C[C@H]1COC2(CCCC2)CN1C(=O)c1csc(C(F)(F)F)n1 ZINC000620911046 565401053 /nfs/dbraw/zinc/40/10/53/565401053.db2.gz CNLWQROHCVYNMZ-NSHDSACASA-N 1 0 377.432 2.877 20 0 GFADRO CCn1cc(Br)cc1C(=O)N1CC2(CCCC2)OC[C@@H]1C[NH+](C)C ZINC000620914885 565401950 /nfs/dbraw/zinc/40/19/50/565401950.db2.gz BKOWIAPNTVOTJM-HNNXBMFYSA-N 1 0 398.345 2.986 20 0 GFADRO C[NH+](C)CCC[C@@H]1CN(C(=O)c2c(F)ccc(Br)c2F)CCO1 ZINC000620976151 565403073 /nfs/dbraw/zinc/40/30/73/565403073.db2.gz FYUTUGMVRHMIJL-LLVKDONJSA-N 1 0 391.256 2.910 20 0 GFADRO CCC[N@H+](CC)C[C@H](C)NC(=O)N[C@H](CO)c1ccc(Br)cc1 ZINC000641955049 565403105 /nfs/dbraw/zinc/40/31/05/565403105.db2.gz QMLQAJBQEAFKGC-XJKSGUPXSA-N 1 0 386.334 2.902 20 0 GFADRO C[NH+](C)CCC[C@@H]1CN(C(=O)c2cc(Br)c(F)cc2F)CCO1 ZINC000620976823 565403232 /nfs/dbraw/zinc/40/32/32/565403232.db2.gz MQEXQKBHPDSHQY-LLVKDONJSA-N 1 0 391.256 2.910 20 0 GFADRO CC[C@@H]1CN(C(=O)C(=O)N[C@@H](C)c2cc(F)c(Cl)cc2Cl)CC[C@@H]1[NH3+] ZINC000642096171 565405620 /nfs/dbraw/zinc/40/56/20/565405620.db2.gz KQDLZRNYKMWBQZ-WMFXKJRFSA-N 1 0 390.286 2.896 20 0 GFADRO CC(C)[C@@H]1CN(C(=O)c2ccn(-c3cccc(Br)c3)n2)CC[NH2+]1 ZINC000621153371 565407786 /nfs/dbraw/zinc/40/77/86/565407786.db2.gz QTDSSGZKEZUMGV-INIZCTEOSA-N 1 0 377.286 2.705 20 0 GFADRO CCSc1nnc(NC(=O)NC2CC[NH+](Cc3ccccc3)CC2)s1 ZINC000642400569 565412383 /nfs/dbraw/zinc/41/23/83/565412383.db2.gz RJWZHGHPYQTHTN-UHFFFAOYSA-N 1 0 377.539 3.436 20 0 GFADRO COc1cc(CN2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)c(Br)cn1 ZINC000621269462 565413701 /nfs/dbraw/zinc/41/37/01/565413701.db2.gz VVJJKZJIGXRFKL-NUEKZKHPSA-N 1 0 384.318 2.536 20 0 GFADRO C[C@H](c1ccccc1)[C@@H](O)C[NH2+]C[C@H](O)COc1ccc(Br)cc1 ZINC000663378121 565416234 /nfs/dbraw/zinc/41/62/34/565416234.db2.gz OWABACPCCBGNCP-LJHODMEESA-N 1 0 394.309 2.943 20 0 GFADRO C[C@H](c1ccccc1)[C@H](O)C[NH2+]C[C@@H](O)COc1cccc(Br)c1 ZINC000663380406 565416738 /nfs/dbraw/zinc/41/67/38/565416738.db2.gz XXURWIKPMVBZNG-LSBZLQRGSA-N 1 0 394.309 2.943 20 0 GFADRO Cc1cc(Br)cc(C)c1S(=O)(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000594775133 565418959 /nfs/dbraw/zinc/41/89/59/565418959.db2.gz NGNTVIDIOGJCCQ-CYBMUJFWSA-N 1 0 375.332 2.686 20 0 GFADRO OC[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1Nc1cc(Br)cnn1 ZINC000663649975 565429279 /nfs/dbraw/zinc/42/92/79/565429279.db2.gz FDXDVZPVMOOCGM-GDBMZVCRSA-N 1 0 377.286 2.534 20 0 GFADRO CCn1nc2c(cc1=O)CN(Cc1nc3ccc(Br)cc3o1)CC2 ZINC000643373342 565430854 /nfs/dbraw/zinc/43/08/54/565430854.db2.gz HKAXCCLUEDIGQM-UHFFFAOYSA-N 1 0 389.253 2.725 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)CC[C@@H]1CCC[NH2+]C1 ZINC000621630715 565433929 /nfs/dbraw/zinc/43/39/29/565433929.db2.gz KSBUZTPCGMFANV-AWEZNQCLSA-N 1 0 396.329 2.982 20 0 GFADRO COc1cc(CNC(=O)CC[C@H]2CCC[NH2+]C2)cc(Br)c1OC ZINC000621632268 565434085 /nfs/dbraw/zinc/43/40/85/565434085.db2.gz UWICKPCTMIACSB-GFCCVEGCSA-N 1 0 385.302 2.862 20 0 GFADRO O=S1(=O)CC[C@@H](N[C@@H]2CC[NH2+]C3(CCC3)C2)c2cc(Br)ccc21 ZINC000643548865 565435608 /nfs/dbraw/zinc/43/56/08/565435608.db2.gz WIJIVGWJXKOSFP-UKRRQHHQSA-N 1 0 399.354 2.932 20 0 GFADRO COC(=O)[C@@H]1C[C@H]1[C@@H](C)[NH2+]CCC(=O)Nc1cc(Br)ccc1C ZINC000594927092 565435971 /nfs/dbraw/zinc/43/59/71/565435971.db2.gz UKRPOXBEZJXUFL-KWCYVHTRSA-N 1 0 383.286 2.873 20 0 GFADRO CCN(Cc1cccc(Br)c1)C(=O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000643637253 565436883 /nfs/dbraw/zinc/43/68/83/565436883.db2.gz BOCSZPLSTYSXKE-HNNXBMFYSA-N 1 0 392.301 2.627 20 0 GFADRO CN(CCC[NH+](C)C)CCNC(=O)NCc1nc2cc(Cl)ccc2s1 ZINC000663819832 565436998 /nfs/dbraw/zinc/43/69/98/565436998.db2.gz HXUPTDBCURAPFQ-UHFFFAOYSA-N 1 0 383.949 2.632 20 0 GFADRO [NH3+][C@]12CCC[C@H]1CN(C(=O)c1cc(=O)[nH]c3ccc(Br)cc31)C2 ZINC000621689406 565437146 /nfs/dbraw/zinc/43/71/46/565437146.db2.gz HLYHKNFDTISWSW-BTDLBPIBSA-N 1 0 376.254 2.656 20 0 GFADRO OC[C@@H]1CC[C@H](C[NH2+]Cc2cc(Cl)ccc2I)O1 ZINC000594944312 565437169 /nfs/dbraw/zinc/43/71/69/565437169.db2.gz NHVQISMHTKTTNB-NEPJUHHUSA-N 1 0 381.641 2.574 20 0 GFADRO [NH3+][C@@]12CCC[C@@H]1CN(C(=O)c1cn(-c3ccc(Br)cc3)cn1)C2 ZINC000621685000 565437369 /nfs/dbraw/zinc/43/73/69/565437369.db2.gz WRYADMAVXWYBBX-SJKOYZFVSA-N 1 0 375.270 2.588 20 0 GFADRO COc1ccc(Br)cc1C(=O)CCC(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000621683199 565437455 /nfs/dbraw/zinc/43/74/55/565437455.db2.gz RHTGCHPDGQDGCN-KPZWWZAWSA-N 1 0 395.297 2.760 20 0 GFADRO COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]C[C@H](CO)Cc1cc(Br)ccc1F ZINC000594959371 565438440 /nfs/dbraw/zinc/43/84/40/565438440.db2.gz QKXSLJIRHGAXSI-RBDSIQFVSA-N 1 0 388.277 2.526 20 0 GFADRO Cc1ccc([C@H](CNC(=O)c2cc(Br)c[nH]c2=O)[NH+](C)C)cc1 ZINC000621752590 565440233 /nfs/dbraw/zinc/44/02/33/565440233.db2.gz ATZXOXINFNQZDL-HNNXBMFYSA-N 1 0 378.270 2.891 20 0 GFADRO CC(C)N1CC[C@@H]([NH2+][C@@H]2CCc3ccc(I)cc32)C1=O ZINC000595019239 565443295 /nfs/dbraw/zinc/44/32/95/565443295.db2.gz KUSUZFQMVODAKH-HUUCEWRRSA-N 1 0 384.261 2.877 20 0 GFADRO O[C@@H](C[NH2+][C@@H]1CCc2ccc(I)cc21)C1CCOCC1 ZINC000595019095 565443711 /nfs/dbraw/zinc/44/37/11/565443711.db2.gz IBWBNCDXCQMIIU-CVEARBPZSA-N 1 0 387.261 2.656 20 0 GFADRO COCC[N@H+](C)CCNC(=O)N[C@@H](c1ccc(F)c(Cl)c1)C(F)(F)F ZINC000663937150 565444307 /nfs/dbraw/zinc/44/43/07/565444307.db2.gz DLCVZYPGIKFHRY-ZDUSSCGKSA-N 1 0 385.789 2.960 20 0 GFADRO Ic1ccc(OCC[NH2+][C@H]2CCCn3nccc32)cc1 ZINC000595038442 565445103 /nfs/dbraw/zinc/44/51/03/565445103.db2.gz KADAFFXPGPKGBQ-AWEZNQCLSA-N 1 0 383.233 2.991 20 0 GFADRO Cn1nnc2c1CC[C@@H]([NH2+][C@@H]1CCc3ccc(I)cc31)C2 ZINC000595044497 565445516 /nfs/dbraw/zinc/44/55/16/565445516.db2.gz ASHMYONWDSYRST-TZMCWYRMSA-N 1 0 394.260 2.554 20 0 GFADRO CCOC1CC(O)(C[NH2+][C@@H]2CCc3ccc(I)cc32)C1 ZINC000595048961 565445523 /nfs/dbraw/zinc/44/55/23/565445523.db2.gz SZHIJDGAKCWIBP-OGVSOVDVSA-N 1 0 387.261 2.798 20 0 GFADRO Cn1nnc2c1CC[C@H]([NH2+][C@@H]1CCc3ccc(I)cc31)C2 ZINC000595044493 565445857 /nfs/dbraw/zinc/44/58/57/565445857.db2.gz ASHMYONWDSYRST-GXTWGEPZSA-N 1 0 394.260 2.554 20 0 GFADRO O[C@]1(CC[NH2+][C@@H]2CCc3ccc(I)cc32)CCCOC1 ZINC000595046291 565446107 /nfs/dbraw/zinc/44/61/07/565446107.db2.gz KMHQJOBPXWHEMB-CVEARBPZSA-N 1 0 387.261 2.800 20 0 GFADRO Brc1ccc(-c2noc(-c3cn([C@@H]4CCC[NH2+]C4)nn3)n2)cc1 ZINC000643936757 565451037 /nfs/dbraw/zinc/45/10/37/565451037.db2.gz GVVZBTUFYVSLMG-GFCCVEGCSA-N 1 0 375.230 2.682 20 0 GFADRO Brc1cccc(N2CC[C@H](C[NH2+]C[C@@H]3CNc4ccnn4C3)C2)c1 ZINC000595155448 565452010 /nfs/dbraw/zinc/45/20/10/565452010.db2.gz ZQRZYSHSECWZHJ-HUUCEWRRSA-N 1 0 390.329 2.803 20 0 GFADRO CCN(C(=O)N[C@H]1CCN(c2ccccc2Br)C1)[C@@H]1CC[N@H+](C)C1 ZINC000664085037 565451982 /nfs/dbraw/zinc/45/19/82/565451982.db2.gz JBDNWENDXMBARB-LSDHHAIUSA-N 1 0 395.345 2.763 20 0 GFADRO CC[N@H+](CCNC(=O)c1cc(Br)c[nH]c1=O)CCC(F)(F)F ZINC000621972349 565452401 /nfs/dbraw/zinc/45/24/01/565452401.db2.gz AQERASWFNKVINM-UHFFFAOYSA-N 1 0 384.196 2.554 20 0 GFADRO O=C(NC[C@H]1CCCC[N@@H+]1C1CC1)c1cc2c(cc1Br)OCO2 ZINC000621975228 565453079 /nfs/dbraw/zinc/45/30/79/565453079.db2.gz YFFRUTQZDFPHJR-GFCCVEGCSA-N 1 0 381.270 2.925 20 0 GFADRO CC1(C)C[NH2+][C@H]1C(=O)N1CCC(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000643985685 565454295 /nfs/dbraw/zinc/45/42/95/565454295.db2.gz LXLJUCLJPFNWKC-HNNXBMFYSA-N 1 0 394.313 2.624 20 0 GFADRO [NH3+][C@@]12CCC[C@H]1CN(S(=O)(=O)c1cc(Cl)ccc1OC(F)(F)F)C2 ZINC000622014657 565455284 /nfs/dbraw/zinc/45/52/84/565455284.db2.gz JEIAXKHBVFMLPO-TVQRCGJNSA-N 1 0 384.807 2.741 20 0 GFADRO [NH3+][C@]12CCC[C@@H]1CN(S(=O)(=O)Cc1cc(Cl)ccc1Br)C2 ZINC000622014566 565455651 /nfs/dbraw/zinc/45/56/51/565455651.db2.gz HSICWSRLYSBLJA-RISCZKNCSA-N 1 0 393.734 2.746 20 0 GFADRO CN(CCC[NH3+])C(=O)c1ccccc1Sc1ccc(S(C)(=O)=O)cc1 ZINC000644068023 565456409 /nfs/dbraw/zinc/45/64/09/565456409.db2.gz WQCVEEGZZDQZEC-UHFFFAOYSA-N 1 0 378.519 2.662 20 0 GFADRO COc1ccc(NC(=O)NCC2([NH3+])CCCC2)c(I)c1 ZINC000595231997 565456867 /nfs/dbraw/zinc/45/68/67/565456867.db2.gz NJEKNRCDBPXZHV-UHFFFAOYSA-N 1 0 389.237 2.693 20 0 GFADRO O=C(NCC1CC[NH+](C2CCOCC2)CC1)c1ncc(Br)s1 ZINC000664294846 565457291 /nfs/dbraw/zinc/45/72/91/565457291.db2.gz IJWJLTJHRLIMOL-UHFFFAOYSA-N 1 0 388.331 2.526 20 0 GFADRO C[C@@H](C[NH+]1CCC(C)CC1)Nc1ccc(S(N)(=O)=O)c(C(F)(F)F)c1 ZINC000664455444 565463417 /nfs/dbraw/zinc/46/34/17/565463417.db2.gz BFUXFEVHZKRQOD-LBPRGKRZSA-N 1 0 379.448 2.885 20 0 GFADRO O[C@@H]1CC[N@@H+](C2CCN(c3ncnc4cc(F)c(Br)cc43)CC2)C1 ZINC000664599955 565469516 /nfs/dbraw/zinc/46/95/16/565469516.db2.gz QDFOHUKYQBMIAU-GFCCVEGCSA-N 1 0 395.276 2.567 20 0 GFADRO O=C(COc1cc(Cl)c(Cl)cc1Cl)NC[C@H]1CCCC[N@H+]1CCO ZINC000622629788 565473154 /nfs/dbraw/zinc/47/31/54/565473154.db2.gz BOTMOPHVZBGNKP-LLVKDONJSA-N 1 0 395.714 2.989 20 0 GFADRO CS(=O)(=O)NC1(C[NH2+]CCC(=O)Nc2cccc(Cl)c2)CCCCC1 ZINC000644515276 565479419 /nfs/dbraw/zinc/47/94/19/565479419.db2.gz XJVNDRUPYXCWFF-UHFFFAOYSA-N 1 0 387.933 2.510 20 0 GFADRO O=C(NCC[NH2+]C[C@H](O)COc1c(Cl)cccc1Cl)c1cccs1 ZINC000644523999 565480784 /nfs/dbraw/zinc/48/07/84/565480784.db2.gz HFMFEHDPSTVPAK-NSHDSACASA-N 1 0 389.304 2.814 20 0 GFADRO O[C@@H](C[NH2+]CCOc1ncccc1F)COc1cc(Cl)ccc1Cl ZINC000644604407 565484114 /nfs/dbraw/zinc/48/41/14/565484114.db2.gz ZMBKABSPTWKZKH-LBPRGKRZSA-N 1 0 375.227 2.936 20 0 GFADRO O=S1(=O)CCC(CC[NH2+]C[C@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000644612865 565485269 /nfs/dbraw/zinc/48/52/69/565485269.db2.gz BQXZSYHFMGCNGY-AWEZNQCLSA-N 1 0 396.336 2.538 20 0 GFADRO CO[C@H](CC[NH2+]C[C@H](O)COc1ccc(Br)cc1)C(F)(F)F ZINC000644630935 565486735 /nfs/dbraw/zinc/48/67/35/565486735.db2.gz JWXCBERLBRMBKM-WCQYABFASA-N 1 0 386.208 2.746 20 0 GFADRO CCCN1C[C@H](C[NH2+]C[C@H](O)COc2ccc(Cl)c(Cl)c2)CC1=O ZINC000644673261 565489134 /nfs/dbraw/zinc/48/91/34/565489134.db2.gz ACBVUDHURCUKSO-STQMWFEESA-N 1 0 375.296 2.581 20 0 GFADRO OC[C@@H]([NH2+]Cc1coc(-c2ccc(Br)cc2)n1)[C@@H]1CCCOC1 ZINC000665194204 565492254 /nfs/dbraw/zinc/49/22/54/565492254.db2.gz BRQVFBWUYNFQQY-CZUORRHYSA-N 1 0 381.270 2.981 20 0 GFADRO CC(C)[N@H+](C[C@@H](O)COc1ccc(Cl)c(Cl)c1)C[C@H]1CCC(=O)N1 ZINC000665262598 565495027 /nfs/dbraw/zinc/49/50/27/565495027.db2.gz MILCLPKTSMTPLO-CHWSQXEVSA-N 1 0 375.296 2.722 20 0 GFADRO [NH3+]C[C@H](NC(=O)N1CCc2ccc(F)c(Br)c2C1)C(F)(F)F ZINC000623179083 565499421 /nfs/dbraw/zinc/49/94/21/565499421.db2.gz WBCWLDHKWCYALT-JTQLQIEISA-N 1 0 384.171 2.546 20 0 GFADRO O=C(NCc1cc(Cl)ccc1I)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000595937631 565500179 /nfs/dbraw/zinc/50/01/79/565500179.db2.gz ILHZLMJPPISYTQ-BXUZGUMPSA-N 1 0 390.652 2.560 20 0 GFADRO COc1cc2[nH+]ccc(NCCOC[C@H]3CCOC3)c2cc1Br ZINC000644871081 565500526 /nfs/dbraw/zinc/50/05/26/565500526.db2.gz UBLOGILYGSWUKD-LBPRGKRZSA-N 1 0 381.270 2.893 20 0 GFADRO C[C@@]1([NH3+])CCCC[C@@H]1C(=O)NCCc1ccc(I)cc1 ZINC000595945997 565500976 /nfs/dbraw/zinc/50/09/76/565500976.db2.gz HLSDGIFAYKOYIC-GDBMZVCRSA-N 1 0 386.277 2.858 20 0 GFADRO [NH3+]C1(CNC(=O)c2ccc(I)cc2Cl)CCCC1 ZINC000595940142 565501316 /nfs/dbraw/zinc/50/13/16/565501316.db2.gz BMURRKIVMRWCFL-UHFFFAOYSA-N 1 0 378.641 2.946 20 0 GFADRO O=C(Cc1ccc(Br)cc1F)N1CCN(c2cc[nH+]cc2)CC1 ZINC000665520331 565502967 /nfs/dbraw/zinc/50/29/67/565502967.db2.gz SQZBNAXWTIPWEA-UHFFFAOYSA-N 1 0 378.245 2.875 20 0 GFADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)Cc2ccc(Br)cc2F)C1 ZINC000665538323 565504308 /nfs/dbraw/zinc/50/43/08/565504308.db2.gz IWSBXOLVLMXOMB-OAHLLOKOSA-N 1 0 387.293 2.604 20 0 GFADRO COC(=O)c1sc2c(c1Br)CN(C(=O)[C@@H]1[NH2+]CCC1(C)C)C2 ZINC000596002074 565506047 /nfs/dbraw/zinc/50/60/47/565506047.db2.gz QYHMSPBEHPLZMP-LBPRGKRZSA-N 1 0 387.299 2.528 20 0 GFADRO Cc1ccc(Br)c(CNC(=O)NCC(C)(C)N2CC[NH+](C)CC2)c1 ZINC000665694796 565508422 /nfs/dbraw/zinc/50/84/22/565508422.db2.gz OPKBQJDGXHGGRT-UHFFFAOYSA-N 1 0 397.361 2.583 20 0 GFADRO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)N1CCc2ccc(Br)cc21 ZINC000665757176 565510965 /nfs/dbraw/zinc/51/09/65/565510965.db2.gz AKAQSRHWLNPQOD-AWEZNQCLSA-N 1 0 397.361 2.793 20 0 GFADRO C[C@H](NC(=O)N1CN(CC[NH+](C)C)C(=O)[C@H]1C)c1ccc(Cl)cc1Cl ZINC000645102565 565512109 /nfs/dbraw/zinc/51/21/09/565512109.db2.gz ACMRMSAEEYYEEN-NWDGAFQWSA-N 1 0 387.311 2.816 20 0 GFADRO Cc1cc(C[NH2+]C[C@@H](N2CCOCC2)C(F)(F)F)ncc1Br ZINC000623523733 565517003 /nfs/dbraw/zinc/51/70/03/565517003.db2.gz MCWRSNPCJXZTGE-CYBMUJFWSA-N 1 0 382.224 2.505 20 0 GFADRO CCS(=O)(=O)CCC[NH2+]Cc1c[nH]nc1-c1ccc(Br)s1 ZINC000623551017 565517734 /nfs/dbraw/zinc/51/77/34/565517734.db2.gz HTVXJPSXSJAQRR-UHFFFAOYSA-N 1 0 392.344 2.815 20 0 GFADRO Cc1ccc(C[NH2+][C@H]2CCN(c3ccc4nncn4n3)C2)c(Br)c1 ZINC000623652480 565523322 /nfs/dbraw/zinc/52/33/22/565523322.db2.gz HJOMDTXKHPFCRE-AWEZNQCLSA-N 1 0 387.285 2.564 20 0 GFADRO COc1cncc(C[NH2+][C@]2(CO)CCc3cc(Br)ccc3C2)c1 ZINC000623644790 565523566 /nfs/dbraw/zinc/52/35/66/565523566.db2.gz AMTXNBVDFHRLTI-GOSISDBHSA-N 1 0 377.282 2.862 20 0 GFADRO COc1cc(C[NH2+][C@@H]2CCCC[C@H]2NS(C)(=O)=O)cc(C(F)(F)F)c1 ZINC000623671768 565524404 /nfs/dbraw/zinc/52/44/04/565524404.db2.gz RLTAQEVFUDHEHU-HUUCEWRRSA-N 1 0 380.432 2.664 20 0 GFADRO CS(=O)(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(Br)c(F)c1F ZINC000623671371 565524644 /nfs/dbraw/zinc/52/46/44/565524644.db2.gz AAJIHCFXDGBOJA-VXGBXAGGSA-N 1 0 397.285 2.677 20 0 GFADRO Cc1nn(-c2cccc(Br)c2)cc1C[NH2+][C@@H]1CCS(=O)(=O)[C@@H]1C ZINC000623720710 565526678 /nfs/dbraw/zinc/52/66/78/565526678.db2.gz WDWUVXAXUBQFSN-MLGOLLRUSA-N 1 0 398.326 2.608 20 0 GFADRO Cc1cc(Br)c(C[NH2+]CCN2CC[C@@H](O)C2)cc1Br ZINC000623759270 565529008 /nfs/dbraw/zinc/52/90/08/565529008.db2.gz FIWMYXVAJCQTJC-GFCCVEGCSA-N 1 0 392.135 2.676 20 0 GFADRO Cc1c(F)c(Br)ccc1C(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000666326911 565531056 /nfs/dbraw/zinc/53/10/56/565531056.db2.gz WECCAEGEUSWUPV-UHFFFAOYSA-N 1 0 386.309 2.654 20 0 GFADRO CN(CC[NH2+]Cc1c(Br)cncc1Br)CC(F)F ZINC000623831922 565531959 /nfs/dbraw/zinc/53/19/59/565531959.db2.gz AIHZTIXITWRXJZ-UHFFFAOYSA-N 1 0 387.066 2.893 20 0 GFADRO COc1cc(CNC(=O)N[C@@H](C)C[N@H+](C)C(C)C)c(Br)cc1O ZINC000645509980 565532406 /nfs/dbraw/zinc/53/24/06/565532406.db2.gz JIVSSNOJISJVFB-NSHDSACASA-N 1 0 388.306 2.691 20 0 GFADRO CN(CC1C[NH+](C)C1)C(=O)Nc1cc(F)c(I)c(F)c1 ZINC000596711334 565532533 /nfs/dbraw/zinc/53/25/33/565532533.db2.gz JSUIUFHNTPZZSR-UHFFFAOYSA-N 1 0 395.191 2.595 20 0 GFADRO O=S(=O)(CC[NH2+][C@@H]1CCc2cc(F)c(Cl)cc21)NC[C@@H]1CCCCO1 ZINC000623913704 565534737 /nfs/dbraw/zinc/53/47/37/565534737.db2.gz YMZGRERIJCKNCF-SUMWQHHRSA-N 1 0 390.908 2.545 20 0 GFADRO CC(C)NS(=O)(=O)CC[NH2+][C@H](C)Cc1ncc(C(F)(F)F)cc1Cl ZINC000623911090 565535458 /nfs/dbraw/zinc/53/54/58/565535458.db2.gz NBJHKZIMZBQPCY-SNVBAGLBSA-N 1 0 387.855 2.602 20 0 GFADRO CN(CC1C[NH+](C)C1)C(=O)Nc1ccc(Cl)cc1I ZINC000596795246 565535557 /nfs/dbraw/zinc/53/55/57/565535557.db2.gz TWJIDBIXKYUMAG-UHFFFAOYSA-N 1 0 393.656 2.970 20 0 GFADRO C[C@@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+]C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000623923793 565536053 /nfs/dbraw/zinc/53/60/53/565536053.db2.gz LOGZRCDJHUKVEG-WDEREUQCSA-N 1 0 399.866 2.556 20 0 GFADRO CN([C@H]1CCC[N@H+](C)C1)S(=O)(=O)Cc1ccc(Br)cc1Cl ZINC000645564904 565539297 /nfs/dbraw/zinc/53/92/97/565539297.db2.gz JRRLODOGUIWHIB-ZDUSSCGKSA-N 1 0 395.750 2.958 20 0 GFADRO COc1ccc(C(C)(C)C)cc1S(=O)(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000645583498 565541580 /nfs/dbraw/zinc/54/15/80/565541580.db2.gz RHTZXTDHQJCUGW-SFHVURJKSA-N 1 0 386.583 2.708 20 0 GFADRO COc1ccc(Br)c(CNC(=O)[C@H]2C[NH2+]Cc3ccccc32)c1 ZINC000645597623 565542455 /nfs/dbraw/zinc/54/24/55/565542455.db2.gz JEFQXIIHROEBKH-INIZCTEOSA-N 1 0 375.266 2.961 20 0 GFADRO C[N@@H+]1CC[C@@H](CNC(=O)Nc2ccc(I)cc2F)C1 ZINC000597024775 565548238 /nfs/dbraw/zinc/54/82/38/565548238.db2.gz PLFCYMNLSYRXAQ-VIFPVBQESA-N 1 0 377.201 2.504 20 0 GFADRO Cc1cc(Br)c(F)cc1S(=O)(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000624356049 565552250 /nfs/dbraw/zinc/55/22/50/565552250.db2.gz NUXNQUHPOGTEAK-GHMZBOCLSA-N 1 0 379.295 2.645 20 0 GFADRO Cc1cc(Br)c(F)cc1S(=O)(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000624353020 565552465 /nfs/dbraw/zinc/55/24/65/565552465.db2.gz BTHVMXWVFTZVQC-WDEREUQCSA-N 1 0 379.295 2.563 20 0 GFADRO Fc1ccc(C[N@@H+]2CC[C@@H](Cn3ccnn3)C2)c(I)c1 ZINC000597173732 565554640 /nfs/dbraw/zinc/55/46/40/565554640.db2.gz IFCUQHSBXMIQSY-LLVKDONJSA-N 1 0 386.212 2.544 20 0 GFADRO [NH3+]C[C@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)s2)CC[C@@H]1C(F)(F)F ZINC000624392677 565555886 /nfs/dbraw/zinc/55/58/86/565555886.db2.gz XBLFCJCDSAOSQR-YUMQZZPRSA-N 1 0 396.378 2.915 20 0 GFADRO COC(=O)[C@H]1C[C@@H]([NH2+]C2CCN(Cc3ccccc3Br)CC2)C1 ZINC000597221653 565555823 /nfs/dbraw/zinc/55/58/23/565555823.db2.gz VFYWAHKOTLJKAP-FZNQNYSPSA-N 1 0 381.314 2.955 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(S(=O)(=O)c3cc(Cl)ccc3OC(F)(F)F)C[C@@H]21 ZINC000645745128 565557476 /nfs/dbraw/zinc/55/74/76/565557476.db2.gz HUYMSTJMLDSLAA-KOLCDFICSA-N 1 0 384.807 2.563 20 0 GFADRO CN(CC1C[NH+](C)C1)C(=O)Nc1ccnn1Cc1ccccc1Br ZINC000666800631 565558271 /nfs/dbraw/zinc/55/82/71/565558271.db2.gz INFHOBFNXATVEX-UHFFFAOYSA-N 1 0 392.301 2.719 20 0 GFADRO CN(CCC[NH+](C)C)CCNC(=O)Nc1c(F)cc(F)cc1Br ZINC000666836118 565559298 /nfs/dbraw/zinc/55/92/98/565559298.db2.gz FKDPBOPHMMVPGX-UHFFFAOYSA-N 1 0 393.276 2.732 20 0 GFADRO COc1cccc(OC(F)(F)F)c1C(=O)N1C[C@@H](SC)[C@H]([NH+](C)C)C1 ZINC000597446269 565561596 /nfs/dbraw/zinc/56/15/96/565561596.db2.gz LYVDVEAWBONPIE-ZWNOBZJWSA-N 1 0 378.416 2.711 20 0 GFADRO O=C(NCCOc1ccc(Br)cc1)c1cccn1C1CC[NH2+]CC1 ZINC000645788070 565561806 /nfs/dbraw/zinc/56/18/06/565561806.db2.gz OXLUNOGXZGHQTL-UHFFFAOYSA-N 1 0 392.297 2.984 20 0 GFADRO O=C(NCC1C[NH2+]C1)Nc1ccc(=O)n(Cc2ccc(Cl)c(Cl)c2)c1 ZINC000666977389 565565340 /nfs/dbraw/zinc/56/53/40/565565340.db2.gz LDUUAAISQXDCPW-UHFFFAOYSA-N 1 0 381.263 2.544 20 0 GFADRO O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)N1CCc2c1cccc2Br ZINC000666978719 565566012 /nfs/dbraw/zinc/56/60/12/565566012.db2.gz CLQFJWSYCGTQQQ-AWEZNQCLSA-N 1 0 394.313 2.775 20 0 GFADRO COc1ncc(Br)cc1CNC(=O)N1C[C@H]([NH+]2CCCC2)C[C@@H]1C ZINC000624631558 565566606 /nfs/dbraw/zinc/56/66/06/565566606.db2.gz JOBYATGUKUHJFQ-SWLSCSKDSA-N 1 0 397.317 2.621 20 0 GFADRO CC1([NH3+])CCN(C(=O)Nc2cc(Br)ccc2-n2cccn2)CC1 ZINC000667088153 565569628 /nfs/dbraw/zinc/56/96/28/565569628.db2.gz CHRAHDPFEFNUKK-UHFFFAOYSA-N 1 0 378.274 2.980 20 0 GFADRO Cn1nncc1CC(=O)N(CCC[NH+](C)C)Cc1ccc(Cl)c(Cl)c1 ZINC000667155988 565573902 /nfs/dbraw/zinc/57/39/02/565573902.db2.gz ZWGQLSLZPUJNFZ-UHFFFAOYSA-N 1 0 384.311 2.645 20 0 GFADRO O=C(NCCCN1CC[NH2+]CC1)Nc1cc(Br)c(F)cc1Cl ZINC000667183620 565574864 /nfs/dbraw/zinc/57/48/64/565574864.db2.gz LDBDCJUUTJJPFR-UHFFFAOYSA-N 1 0 393.688 2.658 20 0 GFADRO O=C(N[C@@H]1CCN(c2ccc(Br)cc2)C1)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000645928335 565577257 /nfs/dbraw/zinc/57/72/57/565577257.db2.gz RHHJBBDFULZOKR-BPQIPLTHSA-N 1 0 392.341 2.780 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)c2cncc(I)c2)C1 ZINC000597860556 565578632 /nfs/dbraw/zinc/57/86/32/565578632.db2.gz OMRSQEDIFBGHDO-NSHDSACASA-N 1 0 387.265 2.536 20 0 GFADRO O=C(NC[C@H]1CCCC[NH2+]1)C(=O)Nc1cccc(Cl)c1SCC(F)F ZINC000667262783 565580380 /nfs/dbraw/zinc/58/03/80/565580380.db2.gz NIGYPYRBEAWRCT-SNVBAGLBSA-N 1 0 391.871 2.894 20 0 GFADRO COCCOc1c(Cl)cc(NC(=O)N2CCO[C@@H]([C@@H](C)[NH3+])C2)cc1Cl ZINC000667318802 565581133 /nfs/dbraw/zinc/58/11/33/565581133.db2.gz YITFREDGAXQVTJ-QMTHXVAHSA-N 1 0 392.283 2.599 20 0 GFADRO COCCOc1ccc(Br)cc1NC(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000667339074 565582201 /nfs/dbraw/zinc/58/22/01/565582201.db2.gz IKZNQYDLKPJOCA-IUODEOHRSA-N 1 0 398.301 2.690 20 0 GFADRO CC(C)C[NH+]1CCC(NC(=O)c2cc(Br)cc3[nH]c(=O)[nH]c32)CC1 ZINC000667351624 565582267 /nfs/dbraw/zinc/58/22/67/565582267.db2.gz WFOHUKLLNSEAPI-UHFFFAOYSA-N 1 0 395.301 2.881 20 0 GFADRO CCCC[C@@H](C[NH3+])NC(=O)C(=O)Nc1cc(Br)c(F)cc1Cl ZINC000667396549 565584652 /nfs/dbraw/zinc/58/46/52/565584652.db2.gz PXMUSTDQUFXFSU-QMMMGPOBSA-N 1 0 394.672 2.814 20 0 GFADRO COc1cc(OC)c(NC(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)cc1Br ZINC000667436306 565586226 /nfs/dbraw/zinc/58/62/26/565586226.db2.gz WDDIOTXBRPBCFO-MFKMUULPSA-N 1 0 384.274 2.682 20 0 GFADRO O=C(Nc1ccnn1Cc1ccc(Br)cc1)N[C@@H]1CCC[NH2+]CC1 ZINC000667428666 565586616 /nfs/dbraw/zinc/58/66/16/565586616.db2.gz NRZLBQLUQDSQIH-OAHLLOKOSA-N 1 0 392.301 2.958 20 0 GFADRO C[C@@H]1CN(C(=O)[C@@](C)([NH3+])c2ccc(Br)cc2)C[C@H](C(F)(F)F)O1 ZINC000646135908 565588061 /nfs/dbraw/zinc/58/80/61/565588061.db2.gz DAFUPYFEMWHDJN-IUPBHXKESA-N 1 0 395.219 2.801 20 0 GFADRO CCN(C(=O)c1csc(I)c1)[C@@H]1CC[N@H+](CC)C1 ZINC000598039500 565589623 /nfs/dbraw/zinc/58/96/23/565589623.db2.gz KYABHUFIPYZKOJ-LLVKDONJSA-N 1 0 378.279 2.909 20 0 GFADRO Cc1c(F)c(Br)ccc1NC(=O)N1CC[N@@H+](C[C@H](C)O)C[C@@H]1C ZINC000667503659 565591551 /nfs/dbraw/zinc/59/15/51/565591551.db2.gz SOSBWGXUVGKWRL-QWRGUYRKSA-N 1 0 388.281 2.815 20 0 GFADRO O=C(Nc1ccc(C(F)(F)F)cc1Cl)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000667542187 565593506 /nfs/dbraw/zinc/59/35/06/565593506.db2.gz MSWHUGNQVGNWGZ-RNCFNFMXSA-N 1 0 375.778 2.508 20 0 GFADRO O=C(Nc1cc(Cl)cc(C(F)(F)F)c1)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000667537275 565593777 /nfs/dbraw/zinc/59/37/77/565593777.db2.gz VNICBHLEZLRJGZ-RNCFNFMXSA-N 1 0 375.778 2.508 20 0 GFADRO CCOc1c(Cl)cc(NC(=O)C(=O)N2CC[C@@H]([NH3+])[C@H](CC)C2)cc1Cl ZINC000667546587 565593790 /nfs/dbraw/zinc/59/37/90/565593790.db2.gz MRNKCOAEORDEOJ-QMTHXVAHSA-N 1 0 388.295 2.916 20 0 GFADRO CC[C@H]1CN(C(=O)C(=O)Nc2cccc(Cl)c2Br)CC[C@@H]1[NH3+] ZINC000667550434 565594844 /nfs/dbraw/zinc/59/48/44/565594844.db2.gz MFWMSJSFMMVFOR-ONGXEEELSA-N 1 0 388.693 2.627 20 0 GFADRO CCCN(C(=O)Nc1cccc(C(=O)NC)c1Br)[C@H]1CC[N@H+](C)C1 ZINC000646401465 565600771 /nfs/dbraw/zinc/60/07/71/565600771.db2.gz JOMSASVQYJBCLA-LBPRGKRZSA-N 1 0 397.317 2.757 20 0 GFADRO Cn1nc2cc(Br)ccc2c1C(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000646386322 565601165 /nfs/dbraw/zinc/60/11/65/565601165.db2.gz UQMXUQASDNMYPV-CHWSQXEVSA-N 1 0 391.313 2.798 20 0 GFADRO CC(C)(C)c1ccc(Cl)cc1NC(=O)C(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000667684566 565601993 /nfs/dbraw/zinc/60/19/93/565601993.db2.gz MANJPBQRNWEWQC-GFCCVEGCSA-N 1 0 379.810 2.972 20 0 GFADRO [NH3+]Cc1cccc(NC(=O)NC[C@@H](CO)Cc2cccc(Br)c2)c1 ZINC000667735043 565604381 /nfs/dbraw/zinc/60/43/81/565604381.db2.gz FYXFFSZJPJKGFV-HNNXBMFYSA-N 1 0 392.297 2.881 20 0 GFADRO O=C1Nc2ccc(Br)cc2CC[C@@H]1N1CC[NH+](C2CCC2)CC1 ZINC000625163737 565604532 /nfs/dbraw/zinc/60/45/32/565604532.db2.gz ALDSRDWFWCUANO-KRWDZBQOSA-N 1 0 378.314 2.873 20 0 GFADRO COc1ccc(Br)c(C(=O)NCCC[NH2+][C@@H]2CO[C@@H](C3CC3)C2)c1 ZINC000667836602 565607664 /nfs/dbraw/zinc/60/76/64/565607664.db2.gz VLCKFMIDXMIHKJ-SUMWQHHRSA-N 1 0 397.313 2.735 20 0 GFADRO CCC[N@@H+]1CC[C@@H](NC(=O)c2cccc(F)c2I)C1 ZINC000598342298 565609767 /nfs/dbraw/zinc/60/97/67/565609767.db2.gz LYZTZWNUBQGXLZ-SNVBAGLBSA-N 1 0 376.213 2.644 20 0 GFADRO CCO[C@H](CS(=O)(=O)NC[C@@H](C[NH+](C)C)c1ccc(Cl)cc1)C1CC1 ZINC000625265304 565613397 /nfs/dbraw/zinc/61/33/97/565613397.db2.gz KIZZBOWVXVBMBY-FUHWJXTLSA-N 1 0 388.961 2.720 20 0 GFADRO CN(CCc1cnccn1)[C@@H]1CCc2cc(Br)ccc2NC1=O ZINC000625283044 565616111 /nfs/dbraw/zinc/61/61/11/565616111.db2.gz HMZSIKDICRALSZ-MRXNPFEDSA-N 1 0 375.270 2.667 20 0 GFADRO NS(=O)(=O)[C@H]1CCCN(Cc2coc(-c3cc(Cl)cc(Cl)c3)n2)C1 ZINC000625283710 565616150 /nfs/dbraw/zinc/61/61/50/565616150.db2.gz OWGWOALKPFNBCD-AWEZNQCLSA-N 1 0 390.292 2.901 20 0 GFADRO CN(C[C@@H](O)C(F)(F)F)[C@@H]1CCc2cc(Br)ccc2NC1=O ZINC000625281831 565616291 /nfs/dbraw/zinc/61/62/91/565616291.db2.gz PEVYOAICPYSAEP-VXGBXAGGSA-N 1 0 381.192 2.557 20 0 GFADRO COc1cc(C(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)ccc1Br ZINC000625281280 565616671 /nfs/dbraw/zinc/61/66/71/565616671.db2.gz QNDPSNIQXKOZOB-CQSZACIVSA-N 1 0 385.302 2.641 20 0 GFADRO C[NH2+]C[C@@H]1CCCN1C(=O)c1cn(-c2ccc(Br)cc2)nc1C ZINC000646816545 565621250 /nfs/dbraw/zinc/62/12/50/565621250.db2.gz UBLNAVGZVBEHDW-HNNXBMFYSA-N 1 0 377.286 2.767 20 0 GFADRO Cc1c(Br)cncc1CN1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000668159393 565629302 /nfs/dbraw/zinc/62/93/02/565629302.db2.gz VCHAHHOIGQSACE-UHFFFAOYSA-N 1 0 381.362 2.612 20 0 GFADRO C[C@H]([NH3+])[C@H](C)NC(=O)c1nn(-c2cccc(Br)c2)c2c1CCC2 ZINC000647068521 565635920 /nfs/dbraw/zinc/63/59/20/565635920.db2.gz COKZOZVAJPQHBG-QWRGUYRKSA-N 1 0 377.286 2.589 20 0 GFADRO [NH3+][C@H]1CCCO[C@@H]1C1CCN(C(=O)c2ccc(Br)c(O)c2)CC1 ZINC000647088296 565636799 /nfs/dbraw/zinc/63/67/99/565636799.db2.gz WLTBDZNTTJKGIL-GOEBONIOSA-N 1 0 383.286 2.513 20 0 GFADRO O=S(=O)(NCc1cccs1)c1ccsc1-c1nc([C@H]2CCC[NH2+]2)no1 ZINC000647150635 565641865 /nfs/dbraw/zinc/64/18/65/565641865.db2.gz KJXBJKBWEKNOLD-LLVKDONJSA-N 1 0 396.519 2.763 20 0 GFADRO C[C@H](c1nc([C@H]2CCC[NH2+]2)no1)N1C(=O)c2ccc(Br)cc2C1=O ZINC000647148768 565642005 /nfs/dbraw/zinc/64/20/05/565642005.db2.gz XIKPBPLLXITVSY-PRHODGIISA-N 1 0 391.225 2.614 20 0 GFADRO CC(C)(C)NS(=O)(=O)c1ccc(Cl)c(-c2nc([C@H]3CCC[NH2+]3)no2)c1 ZINC000647147936 565642033 /nfs/dbraw/zinc/64/20/33/565642033.db2.gz BRRSPWGSALJQCE-CYBMUJFWSA-N 1 0 384.889 2.891 20 0 GFADRO Cc1cc(Br)cc(C(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c1C ZINC000668377694 565644027 /nfs/dbraw/zinc/64/40/27/565644027.db2.gz DNTMOAZBVBPHNT-SJORKVTESA-N 1 0 381.314 2.737 20 0 GFADRO O[C@H](C[NH2+]Cc1cc(OC(F)F)ccc1Br)C1CCOCC1 ZINC000647184943 565644355 /nfs/dbraw/zinc/64/43/55/565644355.db2.gz JJSWTMAYNPPDFA-CQSZACIVSA-N 1 0 380.229 2.928 20 0 GFADRO C[NH2+]C[C@H]1CCCN1S(=O)(=O)Cc1ccc(Br)cc1Cl ZINC000647230503 565647333 /nfs/dbraw/zinc/64/73/33/565647333.db2.gz UKTFVFGTLKELRL-GFCCVEGCSA-N 1 0 381.723 2.616 20 0 GFADRO Cc1ccc(S(=O)(=O)N2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc1Br ZINC000647238404 565648548 /nfs/dbraw/zinc/64/85/48/565648548.db2.gz LYTRRITWASVMHY-XJKSGUPXSA-N 1 0 387.343 2.910 20 0 GFADRO CC1([NH3+])CCN(S(=O)(=O)c2cc(Cl)c(Br)cc2F)CC1 ZINC000647254345 565649103 /nfs/dbraw/zinc/64/91/03/565649103.db2.gz GEXVJXMQIKARES-UHFFFAOYSA-N 1 0 385.686 2.744 20 0 GFADRO CC(C)(C)OC(=O)c1ccc(C[NH2+][C@@H]2CCC[C@@H]2CNS(C)(=O)=O)s1 ZINC000598978594 565651593 /nfs/dbraw/zinc/65/15/93/565651593.db2.gz ICVJMQCRFGLQDA-TZMCWYRMSA-N 1 0 388.555 2.511 20 0 GFADRO CC[C@H]1CN(S(=O)(=O)c2cc(C)c(Br)cc2F)CC[C@H]1[NH3+] ZINC000647270361 565651799 /nfs/dbraw/zinc/65/17/99/565651799.db2.gz XTZKZUKUCYMCMS-GXFFZTMASA-N 1 0 379.295 2.645 20 0 GFADRO CO[C@H](CS(=O)(=O)Nc1ccc(C[NH+]2CCSCC2)cc1C)C(C)C ZINC000647271314 565652636 /nfs/dbraw/zinc/65/26/36/565652636.db2.gz XOFRUCHECQWORF-GOSISDBHSA-N 1 0 386.583 2.957 20 0 GFADRO C[C@H]1C[C@@H](NS(=O)(=O)Cc2ccc(Br)cc2Cl)CC[NH2+]1 ZINC000647276778 565652881 /nfs/dbraw/zinc/65/28/81/565652881.db2.gz HTSNJSHCQYBPFI-CABZTGNLSA-N 1 0 381.723 2.662 20 0 GFADRO C[C@H](C[S@](C)=O)[NH2+][C@@H](C)c1ccc(NS(=O)(=O)c2ccccc2)cc1 ZINC000599045398 565653687 /nfs/dbraw/zinc/65/36/87/565653687.db2.gz QOKURGHWSJUNJD-IYPVNNRCSA-N 1 0 380.535 2.905 20 0 GFADRO C[C@H]1C[NH2+]CC[C@H]1NS(=O)(=O)Cc1ccc(Br)cc1Cl ZINC000647287290 565654070 /nfs/dbraw/zinc/65/40/70/565654070.db2.gz YXDFBGBYXQDALP-TVQRCGJNSA-N 1 0 381.723 2.520 20 0 GFADRO CC[C@@H]([NH2+][C@H](CO)c1ccnn1C)c1ccc(I)cc1 ZINC000599055739 565655075 /nfs/dbraw/zinc/65/50/75/565655075.db2.gz POHOTELUVAVBIQ-ZIAGYGMSSA-N 1 0 385.249 2.799 20 0 GFADRO O=S(=O)(c1sccc1Br)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647306881 565655502 /nfs/dbraw/zinc/65/55/02/565655502.db2.gz LOUQCJLHOFFGST-NEPJUHHUSA-N 1 0 393.372 2.911 20 0 GFADRO Cc1nnc(CC(=O)N[C@@H]2CCCN(Cc3ccc(F)cc3Cl)C2)s1 ZINC000668573716 565655756 /nfs/dbraw/zinc/65/57/56/565655756.db2.gz HDMPFFDIJRIHIP-CQSZACIVSA-N 1 0 382.892 2.962 20 0 GFADRO C[N@H+](CCc1ccccc1)[C@H]1CCN(Cc2ccc(S(C)(=O)=O)s2)C1 ZINC000668566184 565655781 /nfs/dbraw/zinc/65/57/81/565655781.db2.gz HVEQNAACTOEYCK-KRWDZBQOSA-N 1 0 378.563 2.900 20 0 GFADRO O=S(=O)(NC[C@@H]1C[C@H](F)C[NH2+]1)c1ccc2cc(Br)ccc2c1 ZINC000647305097 565655803 /nfs/dbraw/zinc/65/58/03/565655803.db2.gz PJTFELYRARWLCS-KBPBESRZSA-N 1 0 387.274 2.581 20 0 GFADRO O=S(=O)(c1c[nH]c2nccc(Cl)c12)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647308863 565656199 /nfs/dbraw/zinc/65/61/99/565656199.db2.gz WRWBLNWRCDVOIC-QWHCGFSZSA-N 1 0 382.917 2.617 20 0 GFADRO COCc1cc(Cl)cc(S(=O)(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000647307975 565656503 /nfs/dbraw/zinc/65/65/03/565656503.db2.gz HYYGRUXVSVWBDE-HZPDHXFCSA-N 1 0 386.945 2.887 20 0 GFADRO CN(C1(C[NH3+])CCC1)S(=O)(=O)Cc1ccc(Br)cc1Cl ZINC000647320587 565656530 /nfs/dbraw/zinc/65/65/30/565656530.db2.gz VMEHECHXAATSAV-UHFFFAOYSA-N 1 0 381.723 2.746 20 0 GFADRO C[C@H]([NH2+]CCCS(=O)(=O)N(C)C)c1cc(F)c(Br)cc1F ZINC000625752041 565657297 /nfs/dbraw/zinc/65/72/97/565657297.db2.gz PXQSOQIJKSZRPE-VIFPVBQESA-N 1 0 385.274 2.659 20 0 GFADRO CC[C@H](C)C[C@@H](CO)[NH2+][C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000647336562 565657615 /nfs/dbraw/zinc/65/76/15/565657615.db2.gz CJHNEBWSZPMOEB-GVXVVHGQSA-N 1 0 393.347 2.544 20 0 GFADRO C[C@H]1CCN(S(=O)(=O)Cc2ccc(Br)cc2Cl)C[C@H]1C[NH3+] ZINC000647325105 565657847 /nfs/dbraw/zinc/65/78/47/565657847.db2.gz WBAZSOSMAQXCNV-CMPLNLGQSA-N 1 0 395.750 2.849 20 0 GFADRO CCOCCOc1ccc(Br)cc1CN1CCC(=O)N(C)CC1 ZINC000668621190 565658027 /nfs/dbraw/zinc/65/80/27/565658027.db2.gz CZQCGNHDIQTCME-UHFFFAOYSA-N 1 0 385.302 2.529 20 0 GFADRO CCc1cc(=O)[nH]c(C[NH2+][C@@]2(CO)CCc3cc(Br)ccc3C2)n1 ZINC000625797814 565660388 /nfs/dbraw/zinc/66/03/88/565660388.db2.gz ZWOMQLWVDIMWDV-SFHVURJKSA-N 1 0 392.297 2.517 20 0 GFADRO OC[C@@]1([NH2+]CCO[C@H]2CCCCO2)CCc2cc(Br)ccc2C1 ZINC000625796695 565660802 /nfs/dbraw/zinc/66/08/02/565660802.db2.gz LDSIWDKEWGLGJT-ZWKOTPCHSA-N 1 0 384.314 2.802 20 0 GFADRO COc1cc(CN2CCO[C@@H]([C@H](C)[NH3+])C2)cc(Br)c1OC(F)F ZINC000647508125 565661421 /nfs/dbraw/zinc/66/14/21/565661421.db2.gz IBIRZAYLKQYBOD-TVQRCGJNSA-N 1 0 395.244 2.607 20 0 GFADRO C[C@H]([NH3+])C[C@H](C)NC(=O)Nc1cc(Br)cc(C(=O)N2CCCC2)c1 ZINC000647476126 565661693 /nfs/dbraw/zinc/66/16/93/565661693.db2.gz SLHGSICEUUPTEY-RYUDHWBXSA-N 1 0 397.317 2.932 20 0 GFADRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)Nc1cccc(Oc2ncc(Br)cn2)c1 ZINC000625869906 565663476 /nfs/dbraw/zinc/66/34/76/565663476.db2.gz RKLKYHQOSAWBKU-IINYFYTJSA-N 1 0 392.257 2.903 20 0 GFADRO O=C(CC[NH2+]C[C@H](CO)Cc1cccnc1)Nc1cccc(Br)c1 ZINC000647535071 565664085 /nfs/dbraw/zinc/66/40/85/565664085.db2.gz GWUQKGQNSZSXTL-OAHLLOKOSA-N 1 0 392.297 2.614 20 0 GFADRO C[NH+](C)C1(CNC(=O)c2c(Cl)cccc2Br)CCOCC1 ZINC000668757866 565664941 /nfs/dbraw/zinc/66/49/41/565664941.db2.gz FGQOXHMXOWKWBT-UHFFFAOYSA-N 1 0 375.694 2.943 20 0 GFADRO C[NH+](C)CCC[C@H]1CN(Cc2cnc3ccc(Br)cn23)CCO1 ZINC000668785676 565665530 /nfs/dbraw/zinc/66/55/30/565665530.db2.gz UXYBJKUFMFFNEI-INIZCTEOSA-N 1 0 381.318 2.639 20 0 GFADRO C[N@@H+]1CCCC[C@@H]1C(=O)N1CCN(C(=O)c2cccc(Cl)c2Cl)CC1 ZINC000599311643 565669034 /nfs/dbraw/zinc/66/90/34/565669034.db2.gz CWXKQKXFPVMAEM-OAHLLOKOSA-N 1 0 384.307 2.762 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)c(C)c1C(=O)NCC1CC[NH2+]CC1 ZINC000647642772 565669489 /nfs/dbraw/zinc/66/94/89/565669489.db2.gz JHGZCRGLWLWVME-UHFFFAOYSA-N 1 0 391.313 2.981 20 0 GFADRO Cc1c2cc(C(=O)NCCC[NH+]3CCC(O)CC3)[nH]c2ccc1Br ZINC000668894994 565670726 /nfs/dbraw/zinc/67/07/26/565670726.db2.gz GCCWXLPKJMRWFW-UHFFFAOYSA-N 1 0 394.313 2.815 20 0 GFADRO CC(C)Oc1cc(Br)ccc1C(=O)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000647707147 565671555 /nfs/dbraw/zinc/67/15/55/565671555.db2.gz XAGBKUHBTLIDLD-LSDHHAIUSA-N 1 0 397.313 2.517 20 0 GFADRO O=C(Cc1csc(-c2ccc(Cl)s2)n1)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000647707244 565671856 /nfs/dbraw/zinc/67/18/56/565671856.db2.gz ZMDLUCNUWRBXPU-CHWSQXEVSA-N 1 0 397.953 2.735 20 0 GFADRO C[C@@H]1C[C@H](c2ccc(Br)cc2)C[N@@H+]1CCN1C(=O)CN(C)C1=O ZINC000626040673 565672019 /nfs/dbraw/zinc/67/20/19/565672019.db2.gz KEUPXXQMXJIKNH-OCCSQVGLSA-N 1 0 380.286 2.521 20 0 GFADRO CCOC(=O)C[C@H](O)C[NH+]1CCC(Oc2cccc(Br)c2)CC1 ZINC000599364886 565672139 /nfs/dbraw/zinc/67/21/39/565672139.db2.gz NQUNVEZKELUUOF-AWEZNQCLSA-N 1 0 386.286 2.606 20 0 GFADRO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)CSc1nncn1-c1cccc(Cl)c1 ZINC000647830116 565679586 /nfs/dbraw/zinc/67/95/86/565679586.db2.gz MUEJJDHVHNUTHI-IUODEOHRSA-N 1 0 379.917 2.564 20 0 GFADRO CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000647906247 565683453 /nfs/dbraw/zinc/68/34/53/565683453.db2.gz WCORCULMWUJAFB-WQHBLYJGSA-N 1 0 375.778 2.506 20 0 GFADRO Cc1nn(C)c(NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)c1Br ZINC000647984047 565685681 /nfs/dbraw/zinc/68/56/81/565685681.db2.gz IKSOPWFZJXZTGI-AWEZNQCLSA-N 1 0 392.301 2.887 20 0 GFADRO [NH3+]C1(C(=O)NCCc2cc(Br)ccc2F)Cc2ccccc2C1 ZINC000648015787 565687196 /nfs/dbraw/zinc/68/71/96/565687196.db2.gz UHPAAISTLIZQAS-UHFFFAOYSA-N 1 0 377.257 2.743 20 0 GFADRO Brc1cccc(N2CC[NH+](C[C@@H]3CNc4ccnn4C3)CC2)c1 ZINC000648032401 565688091 /nfs/dbraw/zinc/68/80/91/565688091.db2.gz FQQZCEFMZJXDJV-AWEZNQCLSA-N 1 0 376.302 2.510 20 0 GFADRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1Cc1ccc(Br)c2cccnc12 ZINC000648065313 565689670 /nfs/dbraw/zinc/68/96/70/565689670.db2.gz AQNLOUPICBNPOP-CYBMUJFWSA-N 1 0 391.313 2.549 20 0 GFADRO O=C(NCCCc1ccc(Br)cc1F)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000669487273 565689942 /nfs/dbraw/zinc/68/99/42/565689942.db2.gz QCWSJMUXUHICAV-CJNGLKHVSA-N 1 0 384.293 2.914 20 0 GFADRO CC1([NH3+])CCN(C(=O)N[C@H]2CCN(c3ccccc3Br)C2)CC1 ZINC000669475985 565690355 /nfs/dbraw/zinc/69/03/55/565690355.db2.gz DTEACQDQLAKMOS-ZDUSSCGKSA-N 1 0 381.318 2.551 20 0 GFADRO C[C@H](CNC(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1)Oc1ccccc1Br ZINC000669518117 565691211 /nfs/dbraw/zinc/69/12/11/565691211.db2.gz JPBDTXJROUIKQI-UMVBOHGHSA-N 1 0 382.302 2.610 20 0 GFADRO C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)Nc1cccc(I)c1)C2 ZINC000599593495 565691816 /nfs/dbraw/zinc/69/18/16/565691816.db2.gz FWXBXNRZZBMKOB-GASCZTMLSA-N 1 0 385.249 2.755 20 0 GFADRO CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000669551726 565692108 /nfs/dbraw/zinc/69/21/08/565692108.db2.gz IACXTGWFATVKOZ-CLROSIBMSA-N 1 0 396.329 2.919 20 0 GFADRO COc1cc(Br)ccc1CCCNC(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000669557523 565692140 /nfs/dbraw/zinc/69/21/40/565692140.db2.gz SUJBIMXTIBGTTA-CJNGLKHVSA-N 1 0 396.329 2.784 20 0 GFADRO CO[C@@H](c1ccc(Br)cc1)[C@H](C)NC(=O)NCC1CC[NH2+]CC1 ZINC000669551802 565692355 /nfs/dbraw/zinc/69/23/55/565692355.db2.gz SRUKOLZYPLYVRF-BLLLJJGKSA-N 1 0 384.318 2.824 20 0 GFADRO C[C@H]1CC[C@H](NC(=O)Nc2ccc(F)cc2I)C[NH2+]1 ZINC000599601267 565692598 /nfs/dbraw/zinc/69/25/98/565692598.db2.gz NNYUMBHGOLTOFB-WPRPVWTQSA-N 1 0 377.201 2.692 20 0 GFADRO O=C(NCc1cnn(-c2ccc(Br)cc2)c1)N[C@H]1CCC[NH2+]CC1 ZINC000669571665 565693130 /nfs/dbraw/zinc/69/31/30/565693130.db2.gz FFUVHLFSTNTRKM-HNNXBMFYSA-N 1 0 392.301 2.576 20 0 GFADRO CCn1c(CNC(=O)N2CCC[C@@H](C[NH3+])C2)nc2cc(Br)ccc21 ZINC000669569851 565693180 /nfs/dbraw/zinc/69/31/80/565693180.db2.gz GPAGNANANRSDRI-LBPRGKRZSA-N 1 0 394.317 2.699 20 0 GFADRO O=C(N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000669569014 565693293 /nfs/dbraw/zinc/69/32/93/565693293.db2.gz RRSPQSBBCFMCOI-XPKDYRNWSA-N 1 0 383.323 2.966 20 0 GFADRO O=C(Cc1cc2c(cc1Br)OCCO2)N[C@H]1CC[NH2+]C12CCCC2 ZINC000648210009 565693646 /nfs/dbraw/zinc/69/36/46/565693646.db2.gz HRPYGWHGGHEFHV-INIZCTEOSA-N 1 0 395.297 2.554 20 0 GFADRO COc1cc(C(=O)N[C@H]2CC[NH2+]C3(CCC3)C2)cc(OC)c1Br ZINC000648181138 565693764 /nfs/dbraw/zinc/69/37/64/565693764.db2.gz ALDHRLKXJDUOKD-LBPRGKRZSA-N 1 0 383.286 2.871 20 0 GFADRO O=C(NCC[N@H+]1CC[C@H](O)C1)Nc1ccc(C(F)(F)F)cc1Br ZINC000626458712 565693809 /nfs/dbraw/zinc/69/38/09/565693809.db2.gz DHWSRQBNCNUEKF-JTQLQIEISA-N 1 0 396.207 2.656 20 0 GFADRO C[NH+](C)CCn1cc(NC(=O)[C@@H]2CCc3cc(Br)ccc32)cn1 ZINC000648269739 565699431 /nfs/dbraw/zinc/69/94/31/565699431.db2.gz BKLCMTVULCMCLK-MRXNPFEDSA-N 1 0 377.286 2.876 20 0 GFADRO O=C(N[C@@H]1CCOc2c(Br)cccc21)[C@@H]1CCc2nccn2C1 ZINC000669727266 565700454 /nfs/dbraw/zinc/70/04/54/565700454.db2.gz FKYTUOGYBSDMHL-BXUZGUMPSA-N 1 0 376.254 2.848 20 0 GFADRO CC[N@@H+]1CCN(c2nnc(COc3ccc(Br)cc3)n2C)C[C@@H]1C ZINC000669791269 565702420 /nfs/dbraw/zinc/70/24/20/565702420.db2.gz TWFVUMIGYSFHBM-ZDUSSCGKSA-N 1 0 394.317 2.687 20 0 GFADRO CC[N@@H+]1CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2C)C[C@@H]1C ZINC000669802042 565703188 /nfs/dbraw/zinc/70/31/88/565703188.db2.gz JLSLZFZXGMMYCD-LBPRGKRZSA-N 1 0 394.317 2.784 20 0 GFADRO O=C(NCCSCc1ccc(Cl)cc1Cl)NC[C@H]1COCC[NH2+]1 ZINC000599917403 565705806 /nfs/dbraw/zinc/70/58/06/565705806.db2.gz JNWBAPCLWNYARG-ZDUSSCGKSA-N 1 0 378.325 2.514 20 0 GFADRO CC[N@@H+](Cc1cc(Br)ccc1O[C@H](C)C(=O)NC)C[C@@H]1CCOC1 ZINC000648359268 565707062 /nfs/dbraw/zinc/70/70/62/565707062.db2.gz PYARSCZQSSRHAI-KGLIPLIRSA-N 1 0 399.329 2.821 20 0 GFADRO CC(C)[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000669906870 565707064 /nfs/dbraw/zinc/70/70/64/565707064.db2.gz FNJJZYKWIMIONS-XHBSWPGZSA-N 1 0 383.945 2.897 20 0 GFADRO CC(C)[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000669906867 565707119 /nfs/dbraw/zinc/70/71/19/565707119.db2.gz FNJJZYKWIMIONS-BFQNTYOBSA-N 1 0 383.945 2.897 20 0 GFADRO Cc1ccc(NC(=O)C[NH2+][C@H](C)c2ccsc2)cc1S(=O)(=O)N(C)C ZINC000669938798 565707607 /nfs/dbraw/zinc/70/76/07/565707607.db2.gz ZJGYXZFLKWEPGY-CYBMUJFWSA-N 1 0 381.523 2.596 20 0 GFADRO Cc1cccc(CC(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)c1Br ZINC000626667058 565708072 /nfs/dbraw/zinc/70/80/72/565708072.db2.gz IZHGQLVNNOHHHB-HNNXBMFYSA-N 1 0 383.330 2.917 20 0 GFADRO COC(=O)[C@@H]1CN(C)CCN(C(=O)c2cc(C(F)(F)F)ccc2Cl)C1 ZINC000600012372 565710981 /nfs/dbraw/zinc/71/09/81/565710981.db2.gz PCMOSWXNINXMAE-SNVBAGLBSA-N 1 0 378.778 2.536 20 0 GFADRO CSc1ccc(NC(=O)C(=O)NCCC[NH2+]C(C)C)cc1Br ZINC000626830468 565711890 /nfs/dbraw/zinc/71/18/90/565711890.db2.gz AJEBLYSGNUGSRB-UHFFFAOYSA-N 1 0 388.331 2.614 20 0 GFADRO [NH3+]C1CCC(NC(=O)C(=O)Nc2cc(Cl)c(Br)cc2F)CC1 ZINC000626830321 565712115 /nfs/dbraw/zinc/71/21/15/565712115.db2.gz HNONMYFSOMBYTD-UHFFFAOYSA-N 1 0 392.656 2.566 20 0 GFADRO CC(C)(CCC[NH3+])NC(=O)C(=O)Nc1cc(Cl)c(Br)cc1F ZINC000626837727 565712189 /nfs/dbraw/zinc/71/21/89/565712189.db2.gz HIHJPUGAUHYPJU-UHFFFAOYSA-N 1 0 394.672 2.814 20 0 GFADRO Cc1cc(Cl)cc(NC(=O)C(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)c1Br ZINC000626891990 565714456 /nfs/dbraw/zinc/71/44/56/565714456.db2.gz DTTGLBXJKQYPBT-KOLCDFICSA-N 1 0 388.693 2.606 20 0 GFADRO C[C@@H]1CC[C@@H](NC(=O)C(=O)Nc2ccc(-c3ccc(Cl)s3)nc2)C[NH2+]1 ZINC000626891647 565714504 /nfs/dbraw/zinc/71/45/04/565714504.db2.gz AQUNBUGSGZCKDA-GHMZBOCLSA-N 1 0 378.885 2.659 20 0 GFADRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)NCC1(c2ccc(Br)cc2)CCOCC1 ZINC000626964514 565716878 /nfs/dbraw/zinc/71/68/78/565716878.db2.gz SLOSPWIYJAJDIC-XJKSGUPXSA-N 1 0 396.329 2.547 20 0 GFADRO C[C@@H](CNC(=O)N(C)CCOCC[NH3+])Sc1ccc(Br)cc1 ZINC000626975307 565716890 /nfs/dbraw/zinc/71/68/90/565716890.db2.gz ROWQZAOPQDTGQY-LBPRGKRZSA-N 1 0 390.347 2.546 20 0 GFADRO CC[C@@H]1C[C@H]([NH2+]CCNS(=O)(=O)c2cccc(Cl)c2Cl)CCO1 ZINC000648581104 565717845 /nfs/dbraw/zinc/71/78/45/565717845.db2.gz ROGJUJOFHIXNJP-VXGBXAGGSA-N 1 0 381.325 2.819 20 0 GFADRO CC[C@@H](NC(=O)NCC1([NH3+])CCOCC1)c1cc(F)cc(Br)c1 ZINC000627016119 565719822 /nfs/dbraw/zinc/71/98/22/565719822.db2.gz JBLJOANGIAMCJB-CQSZACIVSA-N 1 0 388.281 2.846 20 0 GFADRO O=C(N[C@@H]1CC[NH2+]C12CCC2)N1CCOc2cccc(Br)c2C1 ZINC000627127190 565722528 /nfs/dbraw/zinc/72/25/28/565722528.db2.gz UYQHILMZOOVOKD-OAHLLOKOSA-N 1 0 380.286 2.638 20 0 GFADRO O=C(CCCOc1ccc(Cl)cc1Cl)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000670447204 565723446 /nfs/dbraw/zinc/72/34/46/565723446.db2.gz NHIZEZSPCXCGPF-OAHLLOKOSA-N 1 0 386.323 2.659 20 0 GFADRO C[NH2+]CCOCCNC(=O)N(Cc1cccc(Br)c1)CC1CC1 ZINC000627173924 565725148 /nfs/dbraw/zinc/72/51/48/565725148.db2.gz KAEGCDWDEJSKGK-UHFFFAOYSA-N 1 0 384.318 2.607 20 0 GFADRO CC(C)[NH+](CCNC(=O)C(=O)NCCc1ccc(Cl)cc1Cl)C(C)C ZINC000670495067 565725174 /nfs/dbraw/zinc/72/51/74/565725174.db2.gz VXINVFVJUNWPIE-UHFFFAOYSA-N 1 0 388.339 2.887 20 0 GFADRO C[C@H]1CC[C@H](NC(=O)NC(C)(C)COc2ncc(Cl)cc2Cl)C[NH2+]1 ZINC000627204783 565725876 /nfs/dbraw/zinc/72/58/76/565725876.db2.gz GFCOTYYXBBRDNX-JQWIXIFHSA-N 1 0 375.300 2.986 20 0 GFADRO CC[N@@H+]1CCC[C@H](CNC(=O)c2c3ccc(Br)cc3nn2C)C1 ZINC000648754858 565726032 /nfs/dbraw/zinc/72/60/32/565726032.db2.gz FJFFSILOAWDNCB-GFCCVEGCSA-N 1 0 379.302 2.798 20 0 GFADRO COCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCc3cc(Br)ccc32)C1 ZINC000648773267 565728210 /nfs/dbraw/zinc/72/82/10/565728210.db2.gz ABQDOCJFRZZZFQ-NVXWUHKLSA-N 1 0 381.314 2.706 20 0 GFADRO O=C(CCC(=O)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1)c1cc(Cl)sc1Cl ZINC000627259855 565728916 /nfs/dbraw/zinc/72/89/16/565728916.db2.gz ADHRLSPUHZXGSM-GHMZBOCLSA-N 1 0 391.320 2.685 20 0 GFADRO C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000648797610 565729200 /nfs/dbraw/zinc/72/92/00/565729200.db2.gz YLIPNLYBRWUSJO-HDMKZQKVSA-N 1 0 394.357 2.995 20 0 GFADRO C[C@H](NC(=O)C(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1)c1cc(F)c(Cl)cc1Cl ZINC000627292201 565731792 /nfs/dbraw/zinc/73/17/92/565731792.db2.gz OLAQHJOZQAIDFA-KXUCPTDWSA-N 1 0 376.259 2.566 20 0 GFADRO C[C@H]1C[C@H](NC(=O)c2c3ccc(Br)cc3nn2C)C[N@@H+]1C1CC1 ZINC000648818727 565732626 /nfs/dbraw/zinc/73/26/26/565732626.db2.gz IBKYZYUWPLWRMT-JQWIXIFHSA-N 1 0 377.286 2.691 20 0 GFADRO COC1CC[NH+](CCNC(=O)[C@H]2CCc3cc(Br)ccc32)CC1 ZINC000648814839 565732671 /nfs/dbraw/zinc/73/26/71/565732671.db2.gz WLZWCSFWGOTTHQ-KRWDZBQOSA-N 1 0 381.314 2.706 20 0 GFADRO C[C@H]1CC[C@H](NC(=O)C(=O)NCC(C)(C)c2ccc(Cl)c(Cl)c2)C[NH2+]1 ZINC000627353273 565733874 /nfs/dbraw/zinc/73/38/74/565733874.db2.gz XQKNSSVCJVQUGH-AAEUAGOBSA-N 1 0 386.323 2.644 20 0 GFADRO [NH3+]C1(CNC(=O)C(=O)NCc2csc(C(F)(F)F)c2)CCCCCC1 ZINC000627493062 565737387 /nfs/dbraw/zinc/73/73/87/565737387.db2.gz UXQJQYUUWFCODC-UHFFFAOYSA-N 1 0 377.432 2.551 20 0 GFADRO O=C(NCc1cccc(Cl)c1Cl)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000670856611 565739449 /nfs/dbraw/zinc/73/94/49/565739449.db2.gz MYPRGXZKHQDVSY-AWEZNQCLSA-N 1 0 384.307 2.696 20 0 GFADRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)c1csc(-c2ccc(Cl)s2)n1 ZINC000649077384 565745998 /nfs/dbraw/zinc/74/59/98/565745998.db2.gz RHAFZWOWZXBTLY-JTQLQIEISA-N 1 0 398.941 2.717 20 0 GFADRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)[C@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000649075570 565746423 /nfs/dbraw/zinc/74/64/23/565746423.db2.gz GKYKBHZRRZRORU-UGFHNGPFSA-N 1 0 384.307 2.675 20 0 GFADRO O=C(COc1cccc(Br)c1)N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000627737274 565749040 /nfs/dbraw/zinc/74/90/40/565749040.db2.gz NIBQZGIWXWNFAR-UHFFFAOYSA-N 1 0 397.313 2.541 20 0 GFADRO C[C@@H](C(=O)N1CCOC2(CC[NH+](C)CC2)C1)c1cccc(Br)c1 ZINC000649129339 565749360 /nfs/dbraw/zinc/74/93/60/565749360.db2.gz UKHJMIXEHSKGDQ-CQSZACIVSA-N 1 0 381.314 2.876 20 0 GFADRO C[NH+]1CCC2(CC1)CN(C(=O)c1cc(Br)c(F)cc1F)CCO2 ZINC000649129664 565749554 /nfs/dbraw/zinc/74/95/54/565749554.db2.gz GACUJEVIFRDDQT-UHFFFAOYSA-N 1 0 389.240 2.664 20 0 GFADRO C[C@H](NC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1cccc(Cl)c1Cl ZINC000671107470 565751395 /nfs/dbraw/zinc/75/13/95/565751395.db2.gz GULNMAIJJZAISL-XQQFMLRXSA-N 1 0 384.307 2.914 20 0 GFADRO C[NH2+]C1(CNC(=O)CCC[S@](=O)c2ccc(Br)cc2)CCC1 ZINC000600825269 565751971 /nfs/dbraw/zinc/75/19/71/565751971.db2.gz QVDMLIGWJUZBNQ-QFIPXVFZSA-N 1 0 387.343 2.595 20 0 GFADRO CSc1nnc(CCC[NH2+][C@H]2CCC[C@H](S(C)(=O)=O)C2)n1CC(C)C ZINC000671111870 565752881 /nfs/dbraw/zinc/75/28/81/565752881.db2.gz SOVDCPCBYQMSNT-GJZGRUSLSA-N 1 0 388.603 2.534 20 0 GFADRO CC[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000600880751 565753765 /nfs/dbraw/zinc/75/37/65/565753765.db2.gz SSHJLSZJZRFSGQ-JKSUJKDBSA-N 1 0 387.355 2.860 20 0 GFADRO CC[NH+]1CCC(NS(=O)(=O)c2cccc(Br)c2Cl)CC1 ZINC000671166223 565754200 /nfs/dbraw/zinc/75/42/00/565754200.db2.gz LGGNHJURXYWZTC-UHFFFAOYSA-N 1 0 381.723 2.865 20 0 GFADRO O=S1(=O)CCCN1CCC[NH2+]Cc1cnc(-c2ccc(Cl)cc2)s1 ZINC000671190360 565757429 /nfs/dbraw/zinc/75/74/29/565757429.db2.gz FUMQGODDDFYQJC-UHFFFAOYSA-N 1 0 385.942 2.979 20 0 GFADRO CC1(OCC(=O)Nc2ccc(Oc3cccc(Br)c3)nc2)C[NH2+]C1 ZINC000649315755 565758220 /nfs/dbraw/zinc/75/82/20/565758220.db2.gz IVISRTYRIFUAOB-UHFFFAOYSA-N 1 0 392.253 2.953 20 0 GFADRO O=S(=O)(NC1CC1)c1ccc(C[NH2+][C@@H](CO)c2ccc(Cl)cc2)cc1 ZINC000649580567 565767264 /nfs/dbraw/zinc/76/72/64/565767264.db2.gz AJNMWMPYVWECHN-SFHVURJKSA-N 1 0 380.897 2.604 20 0 GFADRO O=C(N1CCCC1)[C@@]1(O)CCC[N@H+](Cc2cnc(-c3ccsc3)s2)C1 ZINC000671494424 565769161 /nfs/dbraw/zinc/76/91/61/565769161.db2.gz NTKHVQOMZHDZRD-GOSISDBHSA-N 1 0 377.535 2.821 20 0 GFADRO CS(=O)(=O)N1CC[C@@H](C[NH2+]C2(c3ccccc3Br)CCC2)C1 ZINC000649646946 565771007 /nfs/dbraw/zinc/77/10/07/565771007.db2.gz XGJGOEFMZPKHKA-ZDUSSCGKSA-N 1 0 387.343 2.699 20 0 GFADRO C[C@@H](Oc1ccccc1Br)C(=O)N1CCC([NH+]2CCOCC2)CC1 ZINC000628125957 565774978 /nfs/dbraw/zinc/77/49/78/565774978.db2.gz WCVDNKZMEMUYIV-CQSZACIVSA-N 1 0 397.313 2.540 20 0 GFADRO O[C@@H](COc1c(Cl)cccc1Cl)C[NH+]1CCC(Cn2cnnc2)CC1 ZINC000649788600 565778213 /nfs/dbraw/zinc/77/82/13/565778213.db2.gz ABIWUSBJEMPXEW-CQSZACIVSA-N 1 0 385.295 2.737 20 0 GFADRO CS(=O)(=O)N[C@@H]1CCCC[C@H]1C[NH2+]CCc1cccc(C(F)(F)F)c1 ZINC000628273116 565781865 /nfs/dbraw/zinc/78/18/65/565781865.db2.gz JDVZWEMYWKQJFQ-GOEBONIOSA-N 1 0 378.460 2.946 20 0 GFADRO Cc1cc([C@@H](C)[NH2+]CCCN2CCCS2(=O)=O)sc1Br ZINC000671708394 565782250 /nfs/dbraw/zinc/78/22/50/565782250.db2.gz WHPKQQVUELQKGX-LLVKDONJSA-N 1 0 381.361 2.895 20 0 GFADRO COCCC[C@H](C[NH2+]C1CCN(S(C)(=O)=O)CC1)c1ccc(Cl)cc1 ZINC000671764459 565785439 /nfs/dbraw/zinc/78/54/39/565785439.db2.gz KWOTZVYBRURBHK-MRXNPFEDSA-N 1 0 388.961 2.864 20 0 GFADRO C[N@@H+]1CCCC[C@H](CNC(=O)CCCS(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000628751656 565805699 /nfs/dbraw/zinc/80/56/99/565805699.db2.gz ANGGAPCCYFIEDN-OAHLLOKOSA-N 1 0 386.945 2.742 20 0 GFADRO CC(=O)NCC[C@H]1CCC[N@H+](C[C@@H](O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000672576639 565812662 /nfs/dbraw/zinc/81/26/62/565812662.db2.gz NUEIKRCEAGMYRB-HUUCEWRRSA-N 1 0 389.323 2.971 20 0 GFADRO CNS(=O)(=O)c1cccc([C@H](C)[NH2+]C[C@@H](CO)c2ccc(Cl)cc2)c1 ZINC000672620364 565813419 /nfs/dbraw/zinc/81/34/19/565813419.db2.gz WFNBLAUDGACVKV-BBRMVZONSA-N 1 0 382.913 2.675 20 0 GFADRO Cc1cccc2c1C[C@@H]([NH2+][C@@H](C(N)=O)c1cccc(Br)c1)CO2 ZINC000629252890 565833006 /nfs/dbraw/zinc/83/30/06/565833006.db2.gz ZSBJZTSBLGCYQF-RHSMWYFYSA-N 1 0 375.266 2.877 20 0 GFADRO O=C(c1csc(-c2ccc(Cl)cc2)n1)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000673511462 565837824 /nfs/dbraw/zinc/83/78/24/565837824.db2.gz ACHRLMGIDTXGGY-GJZGRUSLSA-N 1 0 377.897 2.745 20 0 GFADRO O=C(CCSc1ccccc1Br)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000673511914 565837876 /nfs/dbraw/zinc/83/78/76/565837876.db2.gz FWHRQPVYPUSYST-UONOGXRCSA-N 1 0 399.354 2.599 20 0 GFADRO O=C(CCSc1ccc(Br)cc1)N[C@@H](CO)C[NH+]1CCCC1 ZINC000673531834 565839061 /nfs/dbraw/zinc/83/90/61/565839061.db2.gz OLVSYHXWZJAULF-CQSZACIVSA-N 1 0 387.343 2.504 20 0 GFADRO O=C(c1csc(-c2ccc(Cl)s2)n1)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000673518269 565839136 /nfs/dbraw/zinc/83/91/36/565839136.db2.gz UUHOYJCWCRZVSJ-GHMZBOCLSA-N 1 0 383.926 2.806 20 0 GFADRO Cc1nc(-c2cccs2)c(CC(=O)NC[C@H]2CCCC[N@@H+]2CCO)s1 ZINC000650982987 565842151 /nfs/dbraw/zinc/84/21/51/565842151.db2.gz WWORMEBITINOSC-CQSZACIVSA-N 1 0 379.551 2.686 20 0 GFADRO O=C(NCCCC[NH+]1CCOCC1)[C@H]1CCOc2ccc(Br)cc21 ZINC000651113279 565846778 /nfs/dbraw/zinc/84/67/78/565846778.db2.gz ISAMNZFLCIDGGL-HNNXBMFYSA-N 1 0 397.313 2.544 20 0 GFADRO Cc1ccc(C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)cc1Br ZINC000673800511 565847161 /nfs/dbraw/zinc/84/71/61/565847161.db2.gz GDMBGSRGTDYQLL-INIZCTEOSA-N 1 0 380.330 2.610 20 0 GFADRO O=C(CNC(=O)C1CC[NH+]([C@H]2CCSC2)CC1)c1ccc(F)cc1Cl ZINC000629368515 565849695 /nfs/dbraw/zinc/84/96/95/565849695.db2.gz ZGQDRNFHRHEZCP-AWEZNQCLSA-N 1 0 384.904 2.996 20 0 GFADRO COCCN(CC[NH+](C)C)C(=O)c1ccc(Br)c(OC(C)C)c1 ZINC000651264086 565852192 /nfs/dbraw/zinc/85/21/92/565852192.db2.gz GPNBAQTVEIBPKP-UHFFFAOYSA-N 1 0 387.318 2.887 20 0 GFADRO O=C1C[C@@H]([C@@H]2CCCC[N@H+]2Cc2ccc(I)s2)CN1 ZINC000602493893 565852804 /nfs/dbraw/zinc/85/28/04/565852804.db2.gz NAZSERJZENGTEX-PWSUYJOCSA-N 1 0 390.290 2.843 20 0 GFADRO COc1ccc(S(=O)(=O)NC[C@@]2([NH+](C)C)CCSC2)c2ccccc12 ZINC000673983981 565854865 /nfs/dbraw/zinc/85/48/65/565854865.db2.gz XRKRZRKAELBMDV-SFHVURJKSA-N 1 0 380.535 2.564 20 0 GFADRO C[C@@H]([NH2+]Cc1ccc(S(N)(=O)=O)c(Cl)c1)c1ccc([S@@](C)=O)cc1 ZINC000602576037 565855472 /nfs/dbraw/zinc/85/54/72/565855472.db2.gz IQZOXDRYGKPNSW-QVQLBTGDSA-N 1 0 386.926 2.576 20 0 GFADRO Brc1cc2ncnc(N3CC[NH+](C[C@@H]4CCOC4)CC3)c2s1 ZINC000651324517 565856535 /nfs/dbraw/zinc/85/65/35/565856535.db2.gz HKHOIPYBUDLXSF-NSHDSACASA-N 1 0 383.315 2.612 20 0 GFADRO [NH3+]C[C@H]1CCN(C(=O)c2cc(I)c[nH]2)c2ccccc21 ZINC000602623636 565858222 /nfs/dbraw/zinc/85/82/22/565858222.db2.gz QBOITRQTDWLIAH-SNVBAGLBSA-N 1 0 381.217 2.712 20 0 GFADRO CN(Cc1ccc(Cl)s1)C(=O)CN1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629567725 565859278 /nfs/dbraw/zinc/85/92/78/565859278.db2.gz QJXUDGQZTYLONH-PWSUYJOCSA-N 1 0 383.867 2.819 20 0 GFADRO C[C@]12C[NH2+]C[C@@]1(C)CN(Cc1nc(Cc3cccc(Br)c3)no1)C2 ZINC000629585387 565860370 /nfs/dbraw/zinc/86/03/70/565860370.db2.gz ULADREKUBWILEX-HDICACEKSA-N 1 0 391.313 2.854 20 0 GFADRO C[NH2+]CCOCCN(C)CC(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000629570866 565860398 /nfs/dbraw/zinc/86/03/98/565860398.db2.gz GKNNOFZQACXSDF-QGZVFWFLSA-N 1 0 388.339 2.825 20 0 GFADRO O[C@@H](CNCc1c(F)c(F)c(Br)c(F)c1F)C[NH+]1CCCC1 ZINC000629580629 565860735 /nfs/dbraw/zinc/86/07/35/565860735.db2.gz VYXTTWJXOZPIPK-QMMMGPOBSA-N 1 0 385.199 2.552 20 0 GFADRO O[C@@H]1C[C@H]([C@H]2CCCOC2)[N@H+](Cc2ccc(I)s2)C1 ZINC000602678083 565862836 /nfs/dbraw/zinc/86/28/36/565862836.db2.gz BRJFDTHFNOGTKO-DMDPSCGWSA-N 1 0 393.290 2.715 20 0 GFADRO C[C@@H](C(=O)N1CCC(C(=O)Nc2ccc(Br)cc2)CC1)[NH+](C)C ZINC000674288204 565865946 /nfs/dbraw/zinc/86/59/46/565865946.db2.gz QTKSLQQWVNLGEO-LBPRGKRZSA-N 1 0 382.302 2.576 20 0 GFADRO O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1cc(=O)c2cc(Br)ccc2[nH]1 ZINC000602748335 565866365 /nfs/dbraw/zinc/86/63/65/565866365.db2.gz STRKDAKIETXQQI-STQMWFEESA-N 1 0 390.281 2.647 20 0 GFADRO COC1CC[NH+](CCNC(=O)N[C@H](C)c2ccc(Br)cc2)CC1 ZINC000674325973 565869001 /nfs/dbraw/zinc/86/90/01/565869001.db2.gz UBBCUAXEVKXNJI-CYBMUJFWSA-N 1 0 384.318 2.920 20 0 GFADRO C[NH+](C)[C@]1(CNS(=O)(=O)Cc2cc(Cl)sc2Cl)CCSC1 ZINC000651589899 565876125 /nfs/dbraw/zinc/87/61/25/565876125.db2.gz VLMKUQOIAYHMQE-LBPRGKRZSA-N 1 0 389.395 2.912 20 0 GFADRO O=S(=O)(Cc1ccc(Cl)cc1)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000651605586 565878759 /nfs/dbraw/zinc/87/87/59/565878759.db2.gz MDQDPFSHHRGYMM-QZTJIDSGSA-N 1 0 386.945 2.527 20 0 GFADRO COC(=O)c1cc(NC(=O)NCC2([NH+](C)C)CC2)c(C)cc1Br ZINC000603011403 565879023 /nfs/dbraw/zinc/87/90/23/565879023.db2.gz AZWWXNYPUCUUNX-UHFFFAOYSA-N 1 0 384.274 2.760 20 0 GFADRO O[C@H](C[N@@H+]1CCC[C@@H]1Cc1ccccc1Br)CC1(O)CCOCC1 ZINC000630048982 565880750 /nfs/dbraw/zinc/88/07/50/565880750.db2.gz DMBBHKLANHUDJI-SJORKVTESA-N 1 0 398.341 2.749 20 0 GFADRO O[C@H](C[NH+]1CCC(c2ccccc2Br)CC1)CC1(O)CCOCC1 ZINC000630038393 565880946 /nfs/dbraw/zinc/88/09/46/565880946.db2.gz BHGJBLADNVNDGN-INIZCTEOSA-N 1 0 398.341 2.921 20 0 GFADRO C[C@H](NC(=O)Cn1cc(CSCC[NH3+])nn1)c1ccc(Cl)c(Cl)c1 ZINC000603176989 565888946 /nfs/dbraw/zinc/88/89/46/565888946.db2.gz DDLWHXSAKPEYSK-JTQLQIEISA-N 1 0 388.324 2.654 20 0 GFADRO Cc1cc(Br)sc1S(=O)(=O)NCCCC[N@@H+](C)C1CC1 ZINC000651735547 565890267 /nfs/dbraw/zinc/89/02/67/565890267.db2.gz UAMXXEQTYOGODS-UHFFFAOYSA-N 1 0 381.361 2.972 20 0 GFADRO [NH3+]CCSCc1cn(Cc2cc(Br)ccc2OC(F)F)nn1 ZINC000603210542 565890343 /nfs/dbraw/zinc/89/03/43/565890343.db2.gz DDYJXVCGBIZOKZ-UHFFFAOYSA-N 1 0 393.257 2.882 20 0 GFADRO Cc1cc(Br)sc1S(=O)(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000651738712 565890505 /nfs/dbraw/zinc/89/05/05/565890505.db2.gz VZSYIVKTMDVLBB-NSHDSACASA-N 1 0 381.361 2.829 20 0 GFADRO CCOC(=O)c1nc(N2CCN(c3cc[nH+]cc3)CC2)ccc1Br ZINC000603271671 565893991 /nfs/dbraw/zinc/89/39/91/565893991.db2.gz CJIWPMVHHMHICZ-UHFFFAOYSA-N 1 0 391.269 2.742 20 0 GFADRO O=S(=O)(c1ccc(F)c(Cl)c1)N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000675276701 565896427 /nfs/dbraw/zinc/89/64/27/565896427.db2.gz JEFPUMNYIAITHE-AWEZNQCLSA-N 1 0 390.908 2.745 20 0 GFADRO COC(=O)c1scc(C)c1S(=O)(=O)N1CCCC[C@@H]1[C@H](C)C[NH+](C)C ZINC000603391873 565902664 /nfs/dbraw/zinc/90/26/64/565902664.db2.gz UWTXZHCYSPTDKU-TZMCWYRMSA-N 1 0 388.555 2.584 20 0 GFADRO Cc1ccc(Br)c(NC(=O)C(=O)NCCC[N@@H+](C)CC(C)C)c1 ZINC000651900777 565902811 /nfs/dbraw/zinc/90/28/11/565902811.db2.gz IVZKIJMYAXDOQQ-UHFFFAOYSA-N 1 0 384.318 2.790 20 0 GFADRO Cc1c(Br)cccc1NC(=O)C(=O)NCCC[N@@H+](C)CC(C)C ZINC000651903666 565902972 /nfs/dbraw/zinc/90/29/72/565902972.db2.gz ZWYMMVMZFQIQGZ-UHFFFAOYSA-N 1 0 384.318 2.790 20 0 GFADRO CC[C@@H](c1ccc(Br)cc1)[N@H+](C)CCN1CCCS1(=O)=O ZINC000675498327 565906171 /nfs/dbraw/zinc/90/61/71/565906171.db2.gz BMISAZGKCCURLU-HNNXBMFYSA-N 1 0 375.332 2.868 20 0 GFADRO CCN1C[C@@H](C[NH2+]Cc2nc(-c3ccc(Br)cc3)c[nH]2)CC1=O ZINC000652001519 565909747 /nfs/dbraw/zinc/90/97/47/565909747.db2.gz WNLONEJVQYYCCT-GFCCVEGCSA-N 1 0 377.286 2.797 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)c1c(F)cncc1Br)Cc1ccccc1 ZINC000630576981 565910030 /nfs/dbraw/zinc/91/00/30/565910030.db2.gz RZGJYWZPIHRVFF-CYBMUJFWSA-N 1 0 380.261 2.886 20 0 GFADRO Cc1cc(Br)ccc1C(=O)N1CCC([NH2+][C@H](CO)CCF)CC1 ZINC000652020502 565911540 /nfs/dbraw/zinc/91/15/40/565911540.db2.gz ZXLDCADCTBWPSO-HNNXBMFYSA-N 1 0 387.293 2.672 20 0 GFADRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(Br)c(F)c2)C(=O)N1c1cnn(C)c1 ZINC000675641417 565911509 /nfs/dbraw/zinc/91/15/09/565911509.db2.gz JCXYKGAEHHRUMJ-MEBBXXQBSA-N 1 0 381.249 2.605 20 0 GFADRO O=C(Nc1cccc(Cl)c1Cl)N1CC[NH+]([C@@H]2CCNC(=O)CC2)CC1 ZINC000652016456 565912196 /nfs/dbraw/zinc/91/21/96/565912196.db2.gz DNPMXDCCVPKVHK-LBPRGKRZSA-N 1 0 385.295 2.812 20 0 GFADRO C[NH+](C)C1(CNC(=O)CCc2ccc(Br)cc2F)CCOCC1 ZINC000603737109 565914667 /nfs/dbraw/zinc/91/46/67/565914667.db2.gz LYYWZCWSHNBTJP-UHFFFAOYSA-N 1 0 387.293 2.748 20 0 GFADRO CN(Cc1cc(Br)ccc1F)C(=O)c1cnn(CC[NH+](C)C)c1 ZINC000630697393 565916308 /nfs/dbraw/zinc/91/63/08/565916308.db2.gz MSLIPRJXMQOGDS-UHFFFAOYSA-N 1 0 383.265 2.619 20 0 GFADRO CCO[C@@H]1CN(C(=O)N[C@@H](CC)Cc2ccccc2Br)C[C@H]1C[NH3+] ZINC000652168163 565918395 /nfs/dbraw/zinc/91/83/95/565918395.db2.gz RGIWBWKQWNIYKY-HLLBOEOZSA-N 1 0 398.345 2.775 20 0 GFADRO [NH3+]CC1(CCNC(=O)NCCc2c[nH]c3cccc(Br)c23)CC1 ZINC000652193481 565918943 /nfs/dbraw/zinc/91/89/43/565918943.db2.gz KGKPIQNEVANZKE-UHFFFAOYSA-N 1 0 379.302 2.901 20 0 GFADRO Cc1cc(NC(=O)C(=O)N(C)CC[NH+]2CCCCC2)cc(C)c1Br ZINC000652290468 565921956 /nfs/dbraw/zinc/92/19/56/565921956.db2.gz DYBDUWWVJCEGOU-UHFFFAOYSA-N 1 0 396.329 2.949 20 0 GFADRO O=C(NCCC1CC[NH2+]CC1)N1CCO[C@H](c2cccc(Br)c2)C1 ZINC000652312037 565922115 /nfs/dbraw/zinc/92/21/15/565922115.db2.gz CYGXSBOGOIISDN-KRWDZBQOSA-N 1 0 396.329 2.922 20 0 GFADRO CN(Cc1ccc2c(c1)C[NH2+]CC2)[C@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000652341321 565923045 /nfs/dbraw/zinc/92/30/45/565923045.db2.gz DWMVXWBCTSMSQS-SFHVURJKSA-N 1 0 376.909 2.946 20 0 GFADRO C[NH+]1CCC(CCNC(=O)c2ccc3cncc(Br)c3n2)CC1 ZINC000630874704 565924814 /nfs/dbraw/zinc/92/48/14/565924814.db2.gz GCODGQAZVZUCSL-UHFFFAOYSA-N 1 0 377.286 2.854 20 0 GFADRO [NH3+]C[C@]12CCC[C@H]1CN(S(=O)(=O)c1ccc(Br)c(Cl)c1)C2 ZINC000652376451 565925606 /nfs/dbraw/zinc/92/56/06/565925606.db2.gz NGHVHMJKXJNIHX-HZMBPMFUSA-N 1 0 393.734 2.852 20 0 GFADRO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCN(S(=O)(=O)c3cc(Cl)ccc3Cl)C2)C1 ZINC000652375127 565925680 /nfs/dbraw/zinc/92/56/80/565925680.db2.gz JGTQWIWMVUIYCT-UXIGCNINSA-N 1 0 393.336 2.900 20 0 GFADRO O=C(N[C@H]1CC[N@@H+](C2CC2)C1)N1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000604203397 565925781 /nfs/dbraw/zinc/92/57/81/565925781.db2.gz FGJDBWIAKXRQMT-DOTOQJQBSA-N 1 0 394.313 2.769 20 0 GFADRO Cc1cc(F)c(Br)cc1S(=O)(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652375851 565925743 /nfs/dbraw/zinc/92/57/43/565925743.db2.gz AZNLTNZRPOWFHU-NHYWBVRUSA-N 1 0 391.306 2.646 20 0 GFADRO COc1cc(Br)cc(S(=O)(=O)N2CCC[C@H](C)[C@@H]2CC[NH3+])c1 ZINC000652377953 565926517 /nfs/dbraw/zinc/92/65/17/565926517.db2.gz TUXANVQVALXZSM-NHYWBVRUSA-N 1 0 391.331 2.596 20 0 GFADRO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCCN2S(=O)(=O)c2cc(F)cc(Cl)c2)C1 ZINC000652384099 565927652 /nfs/dbraw/zinc/92/76/52/565927652.db2.gz PGHOPYSCPNYFGX-FVQBIDKESA-N 1 0 376.881 2.529 20 0 GFADRO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCN(C(=O)Nc3nc(C(F)(F)F)cs3)C2)C1 ZINC000652563303 565934149 /nfs/dbraw/zinc/93/41/49/565934149.db2.gz IHDLNEDFQZKKJD-HBNTYKKESA-N 1 0 378.420 2.912 20 0 GFADRO COc1ccc(NC(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)cc1Br ZINC000604623073 565934264 /nfs/dbraw/zinc/93/42/64/565934264.db2.gz FSLSKBMIMWJXND-LSDHHAIUSA-N 1 0 398.301 2.521 20 0 GFADRO [NH3+]C[C@]12CCC[C@H]1CN(C(=O)Nc1ccc3nccnc3c1Br)C2 ZINC000652605280 565934377 /nfs/dbraw/zinc/93/43/77/565934377.db2.gz CHYDVVAIQNVWOQ-GTNSWQLSSA-N 1 0 390.285 2.985 20 0 GFADRO CS(=O)(=O)c1ccc(NC(=O)NCCC2CC[NH2+]CC2)cc1C(F)F ZINC000652591652 565934476 /nfs/dbraw/zinc/93/44/76/565934476.db2.gz FBJXTWHOJPVXMA-UHFFFAOYSA-N 1 0 375.441 2.539 20 0 GFADRO CCO[C@@H]1CN(C(=O)Nc2ccc(Br)c(Cl)c2)C[C@H]1C[NH3+] ZINC000652584766 565934653 /nfs/dbraw/zinc/93/46/53/565934653.db2.gz AOTWSWXNBRZUDW-NOZJJQNGSA-N 1 0 376.682 2.930 20 0 GFADRO C[C@H](Cc1cccc(Br)c1)[NH2+]Cc1cn(C[C@@H]2CCOC2)nn1 ZINC000631051907 565936222 /nfs/dbraw/zinc/93/62/22/565936222.db2.gz KCTNIGKNTUETSC-HIFRSBDPSA-N 1 0 379.302 2.798 20 0 GFADRO CCOc1ccc(Br)cc1S(=O)(=O)N1CCC[C@H]1C[NH+](C)C ZINC000676415984 565936548 /nfs/dbraw/zinc/93/65/48/565936548.db2.gz LBFFRHIQPPMHRF-ZDUSSCGKSA-N 1 0 391.331 2.563 20 0 GFADRO CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)s1 ZINC000604770871 565936879 /nfs/dbraw/zinc/93/68/79/565936879.db2.gz BPYDELMAYSRXRO-SWLSCSKDSA-N 1 0 389.587 2.590 20 0 GFADRO COc1ccccc1C1(C[NH2+]Cc2ccc(Cl)c(S(N)(=O)=O)c2)CC1 ZINC000631059473 565937025 /nfs/dbraw/zinc/93/70/25/565937025.db2.gz TXOXMIHXJJIUDK-UHFFFAOYSA-N 1 0 380.897 2.817 20 0 GFADRO C[C@@H](CNC(=O)C(=O)NCCC1CC[NH2+]CC1)c1c(Cl)cccc1Cl ZINC000652684484 565937274 /nfs/dbraw/zinc/93/72/74/565937274.db2.gz PDWUNDNZMCRGED-LBPRGKRZSA-N 1 0 386.323 2.719 20 0 GFADRO CCN(Cc1ccc(Cl)s1)C(=O)C(=O)NCc1ccccc1C[NH2+]C ZINC000652719082 565938223 /nfs/dbraw/zinc/93/82/23/565938223.db2.gz UQTLCAVCRPSVFC-UHFFFAOYSA-N 1 0 379.913 2.786 20 0 GFADRO Cc1cc(S(=O)(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)c(C)cc1Br ZINC000604887513 565939575 /nfs/dbraw/zinc/93/95/75/565939575.db2.gz HPLCZBQAVJHISK-LSDHHAIUSA-N 1 0 387.343 2.971 20 0 GFADRO CN(Cc1ccccc1Br)C(=O)C[N@@H+]1CCC[C@H](n2ccnc2)C1 ZINC000676477194 565940236 /nfs/dbraw/zinc/94/02/36/565940236.db2.gz FJGNMHPLGMVXGS-INIZCTEOSA-N 1 0 391.313 2.941 20 0 GFADRO C[NH+](C)CCC1CCN(C(=O)c2cc(Br)c3nccn3c2)CC1 ZINC000631286592 565952107 /nfs/dbraw/zinc/95/21/07/565952107.db2.gz XNSINMBHPOFBBO-UHFFFAOYSA-N 1 0 379.302 2.901 20 0 GFADRO O=C(c1c(Cl)cccc1Cl)N1CCN(C(=O)[C@H]2CCC[NH2+]CC2)CC1 ZINC000653076245 565953064 /nfs/dbraw/zinc/95/30/64/565953064.db2.gz OROJIWMWCCHRNB-ZDUSSCGKSA-N 1 0 384.307 2.668 20 0 GFADRO Cc1c(Br)c2ccccc2n1CC(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000653134085 565956559 /nfs/dbraw/zinc/95/65/59/565956559.db2.gz LUMAVWNUYVELKM-UKRRQHHQSA-N 1 0 376.298 2.923 20 0 GFADRO COc1ccc(C(=O)N2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)c(Br)c1 ZINC000653186464 565957398 /nfs/dbraw/zinc/95/73/98/565957398.db2.gz LNJVFMPQMBRZCP-GDZNZVCISA-N 1 0 397.313 2.816 20 0 GFADRO COCC[NH2+]C1CCN(C(=O)c2cc(Cl)ccc2Br)CC1 ZINC000653180740 565957668 /nfs/dbraw/zinc/95/76/68/565957668.db2.gz PLYVTPDFYGGNOY-UHFFFAOYSA-N 1 0 375.694 2.943 20 0 GFADRO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCN(C(=O)COc3ccc(Br)cc3)C2)C1 ZINC000653190427 565958217 /nfs/dbraw/zinc/95/82/17/565958217.db2.gz KAMLNVNZOPBTKK-YSVLISHTSA-N 1 0 397.313 2.573 20 0 GFADRO COc1cc(Br)ccc1C(=O)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000653187392 565958306 /nfs/dbraw/zinc/95/83/06/565958306.db2.gz XTFPRAKGDICJHV-NOLJZWGESA-N 1 0 397.313 2.816 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2C(=O)Cc2ccccc2Br)C1 ZINC000653265442 565960473 /nfs/dbraw/zinc/96/04/73/565960473.db2.gz PGXHFSGDSQSDJL-PVAVHDDUSA-N 1 0 381.314 2.879 20 0 GFADRO CCO[C@@H]1CN(C(=O)C(C)(C)c2csc(-c3cccs3)n2)C[C@H]1C[NH3+] ZINC000653248093 565960574 /nfs/dbraw/zinc/96/05/74/565960574.db2.gz COYCXXPMLMZOEC-CHWSQXEVSA-N 1 0 379.551 2.971 20 0 GFADRO CCO[C@@H]1CN(C(=O)[C@H](C)Cc2ccc(F)c(Br)c2)C[C@H]1C[NH3+] ZINC000653248155 565960772 /nfs/dbraw/zinc/96/07/72/565960772.db2.gz GAZLSCHIQPEGPE-AXAPSJFSSA-N 1 0 387.293 2.589 20 0 GFADRO CC[N@@H+]1CCN(C(=O)c2cc(=O)[nH]c3ccc(Br)cc32)C[C@@H]1C ZINC000677173681 565962738 /nfs/dbraw/zinc/96/27/38/565962738.db2.gz MLDWPETUPOCTOJ-NSHDSACASA-N 1 0 378.270 2.869 20 0 GFADRO CC[N@@H+]1CCN(C(=O)C[C@@H](NC(C)=O)c2ccc(Br)cc2)C[C@H]1C ZINC000677176250 565963078 /nfs/dbraw/zinc/96/30/78/565963078.db2.gz FDYJFTUDVSIUGR-CXAGYDPISA-N 1 0 396.329 2.569 20 0 GFADRO CC[N@@H+]1CCN(Cc2csc(-c3ccc(S(C)(=O)=O)cc3)n2)C[C@H]1C ZINC000677193572 565964209 /nfs/dbraw/zinc/96/42/09/565964209.db2.gz BOGZPHFAPURJIB-CQSZACIVSA-N 1 0 379.551 2.740 20 0 GFADRO C[C@H]1C[NH+](CCCCNC(=O)c2c(F)cncc2Br)C[C@H](C)O1 ZINC000631675797 565966597 /nfs/dbraw/zinc/96/65/97/565966597.db2.gz PEEWEKOYLSCVBS-RYUDHWBXSA-N 1 0 388.281 2.602 20 0 GFADRO [NH3+]C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)c1c(Cl)cccc1Cl)C2=O ZINC000653548202 565971371 /nfs/dbraw/zinc/97/13/71/565971371.db2.gz RCLNMBPVCLWVQA-DYZYQPBXSA-N 1 0 384.263 2.616 20 0 GFADRO Cc1ccc(CN(CC[NH+](C)C)S(=O)(=O)c2onc(C3CC3)c2Cl)o1 ZINC000631776924 565973633 /nfs/dbraw/zinc/97/36/33/565973633.db2.gz RPZXAVVBSLLOPB-UHFFFAOYSA-N 1 0 387.889 2.859 20 0 GFADRO CCOc1cc(Br)ccc1NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC000631861366 565978607 /nfs/dbraw/zinc/97/86/07/565978607.db2.gz ZWBFWHCZTYYGJE-UHFFFAOYSA-N 1 0 381.274 2.858 20 0 GFADRO C[NH+](C)CCN(Cc1ccccn1)S(=O)(=O)C[C@@H]1CCCC(F)(F)C1 ZINC000631918275 565983641 /nfs/dbraw/zinc/98/36/41/565983641.db2.gz XZFCFZDRILBNRO-OAHLLOKOSA-N 1 0 375.485 2.601 20 0 GFADRO COc1ccc(Br)cc1C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000607505814 565985161 /nfs/dbraw/zinc/98/51/61/565985161.db2.gz REQBUEPBZLTNNA-UHFFFAOYSA-N 1 0 397.313 2.642 20 0 GFADRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1cc(=O)c2cc(Br)ccc2[nH]1 ZINC000607660128 565987458 /nfs/dbraw/zinc/98/74/58/565987458.db2.gz PXDLHIFLHAMZFU-BZNIZROVSA-N 1 0 392.297 2.703 20 0 GFADRO [NH3+]C[C@H]1CC[C@H](NS(=O)(=O)Cc2cc(F)ccc2Br)CC1 ZINC000631976054 565987973 /nfs/dbraw/zinc/98/79/73/565987973.db2.gz UNRSYSLFXBGHBV-MJHDQNEOSA-N 1 0 379.295 2.525 20 0 GFADRO C[N@H+](CC(=O)N1CCc2c(F)cc(Br)cc2C1)[C@@H]1CCSC1 ZINC000677910731 565988454 /nfs/dbraw/zinc/98/84/54/565988454.db2.gz IREBCZNXZXDOSK-CYBMUJFWSA-N 1 0 387.318 2.910 20 0 GFADRO Cc1nc(-c2ccc(S(=O)(=O)N3CCC[C@H]4C[NH2+]CC[C@H]43)s2)cs1 ZINC000631995044 565989535 /nfs/dbraw/zinc/98/95/35/565989535.db2.gz XEOFUNJYFSRDEG-GXTWGEPZSA-N 1 0 383.564 2.943 20 0 GFADRO [NH3+]C[C@@H]1Cc2ccccc2N(S(=O)(=O)Cc2ccc(Br)cc2)C1 ZINC000631998276 565989975 /nfs/dbraw/zinc/98/99/75/565989975.db2.gz WOBLHBLLLGKLKZ-AWEZNQCLSA-N 1 0 395.322 2.917 20 0 GFADRO C[C@H](C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1)c1ccc(Br)cc1 ZINC000678007354 565993623 /nfs/dbraw/zinc/99/36/23/565993623.db2.gz WANGQCITKHBFAT-WMLDXEAASA-N 1 0 394.357 2.837 20 0 GFADRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)c2ccn(-c3cccc(Br)c3)n2)C1 ZINC000654067510 565994819 /nfs/dbraw/zinc/99/48/19/565994819.db2.gz PADXVWGWBQAGGL-JNSHFYNHSA-N 1 0 377.286 2.705 20 0 GFADRO C[C@H](NC(=O)N[C@@H](CO)c1ccc(Br)cc1)C1CC[NH+](C)CC1 ZINC000678112730 565999603 /nfs/dbraw/zinc/99/96/03/565999603.db2.gz DDERAJVJVSRHJP-LRDDRELGSA-N 1 0 384.318 2.512 20 0 GFADRO FC(F)(F)c1cnc(OCC[NH2+]C[C@@H]2CNc3ccnn3C2)c(Cl)c1 ZINC000608059627 566001123 /nfs/dbraw/zinc/00/11/23/566001123.db2.gz MJNSYAVJRBLFFF-SNVBAGLBSA-N 1 0 375.782 2.661 20 0 GFADRO Cc1cc(C(=O)NCCCN2CCC[N@@H+](C)CC2)c(C)cc1Br ZINC000678203189 566003420 /nfs/dbraw/zinc/00/34/20/566003420.db2.gz OXHPMILJUMOZFO-UHFFFAOYSA-N 1 0 382.346 2.823 20 0 GFADRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N1CCOc2cccc(Br)c2C1 ZINC000654487445 566011653 /nfs/dbraw/zinc/01/16/53/566011653.db2.gz IVQNIALUMYMYNX-WBMJQRKESA-N 1 0 394.313 2.836 20 0 GFADRO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CC(=O)NC1CCCC1 ZINC000678585429 566013756 /nfs/dbraw/zinc/01/37/56/566013756.db2.gz VUUKNDXMQUGKCD-GFCCVEGCSA-N 1 0 382.302 2.815 20 0 GFADRO C[NH+](C)CCn1ccc(C(=O)N[C@@H]2CCc3cc(Br)ccc32)n1 ZINC000654588428 566015683 /nfs/dbraw/zinc/01/56/83/566015683.db2.gz ZSWFVLUOQDYVHJ-OAHLLOKOSA-N 1 0 377.286 2.625 20 0 GFADRO C[C@H](NC(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1ncc(Br)cn1 ZINC000654573524 566015994 /nfs/dbraw/zinc/01/59/94/566015994.db2.gz HYHDDBNWOUVTJA-IACUBPJLSA-N 1 0 382.306 2.616 20 0 GFADRO COCC1(CNC(=O)N(CC[NH+](C)C)Cc2ccc(Br)cc2)CC1 ZINC000654688130 566019297 /nfs/dbraw/zinc/01/92/97/566019297.db2.gz HPQNGEKPWBPPSA-UHFFFAOYSA-N 1 0 398.345 2.949 20 0 GFADRO C[C@H](CNC(=O)N[C@H]1CC[N@@H+](C2CC2)C1)Oc1cccc(Br)c1 ZINC000608685139 566020917 /nfs/dbraw/zinc/02/09/17/566020917.db2.gz ZNVWNGPKXMYOJY-OCCSQVGLSA-N 1 0 382.302 2.752 20 0 GFADRO CO[C@@H](C(=O)NC[C@@]1([NH+](C)C)CCSC1)c1ccccc1Br ZINC000654856259 566026209 /nfs/dbraw/zinc/02/62/09/566026209.db2.gz YGLSTGSYAIZZJR-ZBFHGGJFSA-N 1 0 387.343 2.690 20 0 GFADRO C[C@@H]1C[C@@H]([NH2+][C@H]2CCc3cc(Br)ccc32)C(=O)N1c1cnn(C)c1 ZINC000679067290 566028854 /nfs/dbraw/zinc/02/88/54/566028854.db2.gz RHVCJBXAKFELNN-ZTFRIQLXSA-N 1 0 389.297 2.954 20 0 GFADRO CCOc1cc(C[NH2+][C@@](C)(CO)COC)cc(Br)c1OC(F)F ZINC000679117497 566030855 /nfs/dbraw/zinc/03/08/55/566030855.db2.gz IHONACPZYDWZIU-HNNXBMFYSA-N 1 0 398.244 2.936 20 0 GFADRO Cc1cc(Br)cc(NC(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)c1 ZINC000654948937 566031311 /nfs/dbraw/zinc/03/13/11/566031311.db2.gz JNKJRMNEXDBMDW-CVEARBPZSA-N 1 0 394.313 2.829 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000654947766 566031572 /nfs/dbraw/zinc/03/15/72/566031572.db2.gz VXCYKAARDKSHBN-HZPDHXFCSA-N 1 0 394.313 2.829 20 0 GFADRO O=C(Nc1cc(F)ccc1Br)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000654947698 566031856 /nfs/dbraw/zinc/03/18/56/566031856.db2.gz UMZJUZZNKINISX-DZGCQCFKSA-N 1 0 398.276 2.660 20 0 GFADRO O=C(Nc1cccc(Br)c1)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000654945917 566031917 /nfs/dbraw/zinc/03/19/17/566031917.db2.gz HEUNPLQWWHSQBO-GJZGRUSLSA-N 1 0 380.286 2.521 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc(I)c(F)c1 ZINC000609164293 566032349 /nfs/dbraw/zinc/03/23/49/566032349.db2.gz LEXZGSQWPDGJEB-ZIAGYGMSSA-N 1 0 388.224 2.787 20 0 GFADRO CO[C@@H](C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1)c1ccccc1Br ZINC000655030036 566036963 /nfs/dbraw/zinc/03/69/63/566036963.db2.gz BYQVPUDLQNHMSP-RHSMWYFYSA-N 1 0 399.329 2.754 20 0 GFADRO CC[NH+](CC)CC[C@@H](CO)NC(=O)[C@@H]1CCc2cc(Br)ccc21 ZINC000655049620 566037587 /nfs/dbraw/zinc/03/75/87/566037587.db2.gz QKZZDHMOONPFPH-DOTOQJQBSA-N 1 0 383.330 2.688 20 0 GFADRO O=C(NC[C@]1(O)C[NH+]2CCC1CC2)c1cc2ccc(Br)cc2s1 ZINC000655074450 566038883 /nfs/dbraw/zinc/03/88/83/566038883.db2.gz XHAWUQXQASDAGV-KRWDZBQOSA-N 1 0 395.322 2.850 20 0 GFADRO C[N@@H+](Cc1ccccc1)C[C@H](O)CN[C@@H](CO)c1ccc(Br)cc1 ZINC000679832843 566055399 /nfs/dbraw/zinc/05/53/99/566055399.db2.gz TXTBYQQIPYWCSJ-MOPGFXCFSA-N 1 0 393.325 2.565 20 0 GFADRO COc1ccccc1[C@@H]([NH3+])CNC(=O)[C@@H](OC)c1ccccc1Br ZINC000655412400 566056312 /nfs/dbraw/zinc/05/63/12/566056312.db2.gz RMCSPYUIDLGXRB-RDJZCZTQSA-N 1 0 393.281 2.961 20 0 GFADRO O=C(NCCOc1ncc(C(F)(F)F)cc1Cl)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC000655448958 566057093 /nfs/dbraw/zinc/05/70/93/566057093.db2.gz CDRZITRZMFJDGJ-IAQYHMDHSA-N 1 0 377.794 2.639 20 0 GFADRO Cn1cnnc1Sc1ccc(NC(=O)[C@H]2C[C@@]23CCC[NH2+]C3)cc1Cl ZINC000655437187 566057688 /nfs/dbraw/zinc/05/76/88/566057688.db2.gz RTTYLYSKHLYJHA-SJKOYZFVSA-N 1 0 377.901 2.948 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000655431615 566057713 /nfs/dbraw/zinc/05/77/13/566057713.db2.gz UQYZHFKAAGDLIZ-KSSFIOAISA-N 1 0 394.313 2.592 20 0 GFADRO CSC[C@@H](C)NC(=O)NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000609904502 566058323 /nfs/dbraw/zinc/05/83/23/566058323.db2.gz YNNRDAZOANMJMB-OAHLLOKOSA-N 1 0 384.977 2.903 20 0 GFADRO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)c1ccc(F)cc1I ZINC000609984629 566060482 /nfs/dbraw/zinc/06/04/82/566060482.db2.gz SQAVFRZCNWKHFK-AWEZNQCLSA-N 1 0 390.240 2.843 20 0 GFADRO CCCOc1c(Br)cc(C(=O)N[C@H](C[NH3+])C(F)(F)F)cc1OC ZINC000655507822 566061133 /nfs/dbraw/zinc/06/11/33/566061133.db2.gz YWPWHPQJONTTIS-LLVKDONJSA-N 1 0 399.207 2.866 20 0 GFADRO [NH3+]C[C@H](NC(=O)COc1ccc2cc(Br)ccc2c1)C(F)(F)F ZINC000655508066 566061311 /nfs/dbraw/zinc/06/13/11/566061311.db2.gz AFMMCUIENMSSNN-ZDUSSCGKSA-N 1 0 391.187 2.987 20 0 GFADRO CC(C)(C)C(=O)NCc1ccc(Cl)c(C(=O)N[C@@H](C[NH3+])C(F)(F)F)c1 ZINC000655519399 566062028 /nfs/dbraw/zinc/06/20/28/566062028.db2.gz SVTLEZPIZZCOII-LBPRGKRZSA-N 1 0 379.810 2.622 20 0 GFADRO CC(C)(C)NC(=O)Nc1ccc(Cl)c(C(=O)N[C@H](C[NH3+])C(F)(F)F)c1 ZINC000655513316 566062992 /nfs/dbraw/zinc/06/29/92/566062992.db2.gz UDJUXOHEYDOFQD-LLVKDONJSA-N 1 0 380.798 2.879 20 0 GFADRO C[NH+](C)CCn1cc(NCc2cn(-c3ccc(Cl)c(Cl)c3)nn2)cn1 ZINC000680119738 566063330 /nfs/dbraw/zinc/06/33/30/566063330.db2.gz UJGZBNURYUKVQM-UHFFFAOYSA-N 1 0 380.283 2.944 20 0 GFADRO CS[C@H](CO)[C@@H](C)NC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000610099788 566066740 /nfs/dbraw/zinc/06/67/40/566066740.db2.gz OBVCZTHVVKFBSW-KBRIMQKVSA-N 1 0 385.961 2.889 20 0 GFADRO Cc1csc(-c2ccc(S(=O)(=O)N3CCC[C@H]4C[N@@H+](C)C[C@H]43)cc2)n1 ZINC000655608880 566072761 /nfs/dbraw/zinc/07/27/61/566072761.db2.gz IUJLANWPGLWWNY-DOTOQJQBSA-N 1 0 377.535 2.833 20 0 GFADRO CS(=O)(=O)c1ccc(NC(=O)N2CCCCC[C@H]([NH3+])C2)cc1C(F)F ZINC000632930814 566075383 /nfs/dbraw/zinc/07/53/83/566075383.db2.gz ZRMPUZJNQWIOHP-NSHDSACASA-N 1 0 375.441 2.763 20 0 GFADRO [NH3+]C[C@H]1CC[C@H](NC(=O)Nc2ccnn2-c2ccc(Br)cn2)CC1 ZINC000632942536 566076369 /nfs/dbraw/zinc/07/63/69/566076369.db2.gz PAUZOXVPVGILSV-AULYBMBSSA-N 1 0 393.289 2.669 20 0 GFADRO CC(C)Oc1cc(NC(=O)N2CCCO[C@@H](C[NH3+])C2)ccc1Br ZINC000632960747 566077256 /nfs/dbraw/zinc/07/72/56/566077256.db2.gz KYZJJGJTUMCTPF-ZDUSSCGKSA-N 1 0 386.290 2.818 20 0 GFADRO C[NH2+]CCOCCN(C)C(=O)Nc1ccc(Br)c(OC(C)C)c1 ZINC000632961032 566077575 /nfs/dbraw/zinc/07/75/75/566077575.db2.gz NDBADYXJNFQACY-UHFFFAOYSA-N 1 0 388.306 2.936 20 0 GFADRO C[C@@H](CNC(=O)NCc1c(Br)cnn1C)[N@H+](C)Cc1ccccc1 ZINC000632996768 566078882 /nfs/dbraw/zinc/07/88/82/566078882.db2.gz OHNNXPQZEPFRKL-ZDUSSCGKSA-N 1 0 394.317 2.502 20 0 GFADRO O=C(CNC1CC[NH+](C[C@@H]2CCCO2)CC1)Nc1ccc(Br)cc1 ZINC000655701040 566082957 /nfs/dbraw/zinc/08/29/57/566082957.db2.gz PLKTZLAEEQSQTR-KRWDZBQOSA-N 1 0 396.329 2.621 20 0 GFADRO Cc1nn(-c2cccc(Br)c2)cc1C[NH2+][C@@H](C)Cn1cncn1 ZINC000655720631 566084050 /nfs/dbraw/zinc/08/40/50/566084050.db2.gz BCBPKUMASUNWKH-LBPRGKRZSA-N 1 0 375.274 2.713 20 0 GFADRO COCC[C@@](C)(O)C[NH2+]Cc1cn(-c2ccccc2Br)nc1C ZINC000655734743 566085973 /nfs/dbraw/zinc/08/59/73/566085973.db2.gz ABNUUZKHZMDQOG-QGZVFWFLSA-N 1 0 382.302 2.820 20 0 GFADRO Cc1cc(C)c(Br)c(C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)c1 ZINC000680867261 566086461 /nfs/dbraw/zinc/08/64/61/566086461.db2.gz DFLSZCCUEPSQCA-OAHLLOKOSA-N 1 0 394.357 2.964 20 0 GFADRO CCN(C)C(=O)[C@@H](C)[NH2+]Cc1cn(-c2ccccc2Br)nc1C ZINC000655765275 566087180 /nfs/dbraw/zinc/08/71/80/566087180.db2.gz COJQPEUIMPEZHV-CYBMUJFWSA-N 1 0 379.302 2.900 20 0 GFADRO Cc1nn(-c2cccc(Br)c2)cc1C[NH2+][C@H](CO)C1CCOCC1 ZINC000655757753 566087269 /nfs/dbraw/zinc/08/72/69/566087269.db2.gz KQPAMYCUVFHBDP-GOSISDBHSA-N 1 0 394.313 2.820 20 0 GFADRO C[NH+](C)CCn1cc(C(=O)N2CCc3c(F)ccc(Br)c3C2)cn1 ZINC000633255675 566091393 /nfs/dbraw/zinc/09/13/93/566091393.db2.gz RBNUDNMQUZTOAN-UHFFFAOYSA-N 1 0 395.276 2.545 20 0 GFADRO CS(=O)(=O)N1CCC([NH2+]C2(c3cccc(OC(F)(F)F)c3)CC2)CC1 ZINC000655845878 566093244 /nfs/dbraw/zinc/09/32/44/566093244.db2.gz WHLRACCQDODDPQ-UHFFFAOYSA-N 1 0 378.416 2.588 20 0 GFADRO C[C@H]1Cc2ccc(Br)cc2CN1C(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000655919430 566094850 /nfs/dbraw/zinc/09/48/50/566094850.db2.gz BGKCODXCUNABNA-UFBFGSQYSA-N 1 0 380.208 2.795 20 0 GFADRO CC(C)(CNC(=O)N[C@@H](C[NH3+])C(F)(F)F)c1cccc(Br)c1 ZINC000655913542 566094857 /nfs/dbraw/zinc/09/48/57/566094857.db2.gz AHLQETPMBCGAKO-NSHDSACASA-N 1 0 382.224 2.916 20 0 GFADRO [NH3+]C[C@H](NC(=O)N1CCC[C@H](c2nc3c(s2)CCCC3)C1)C(F)(F)F ZINC000655919412 566095478 /nfs/dbraw/zinc/09/54/78/566095478.db2.gz CIOZMNNQROGZCY-GWCFXTLKSA-N 1 0 376.448 2.801 20 0 GFADRO Cc1ccc(Cl)cc1N1CC[C@H](CNC(=O)N[C@H](C[NH3+])C(F)(F)F)C1 ZINC000655913856 566095799 /nfs/dbraw/zinc/09/57/99/566095799.db2.gz BZEQGLCNFTUHPT-BXUZGUMPSA-N 1 0 378.826 2.664 20 0 GFADRO [NH3+]C[C@@H](NC(=O)N[C@H]1C[C@H](c2ccc(Br)cc2)C1)C(F)(F)F ZINC000655925404 566096129 /nfs/dbraw/zinc/09/61/29/566096129.db2.gz ANKBVDBINOTJJY-YUSALJHKSA-N 1 0 380.208 2.884 20 0 GFADRO CCOc1ccc(Br)cc1S(=O)(=O)N(C)CC[N@H+](C)C1CC1 ZINC000681157081 566096716 /nfs/dbraw/zinc/09/67/16/566096716.db2.gz QHKOAZRCXUFNBZ-UHFFFAOYSA-N 1 0 391.331 2.563 20 0 GFADRO [NH3+]C[C@@H](NC(=O)NCCC(=O)Nc1cc(Cl)cc(Cl)c1)C(F)(F)F ZINC000655925912 566097068 /nfs/dbraw/zinc/09/70/68/566097068.db2.gz GONSHCMXEXERNK-SNVBAGLBSA-N 1 0 387.189 2.511 20 0 GFADRO O=C(c1cc(Cl)cc(Cl)c1F)N1CC[NH+]([C@@H]2CCNC(=O)CC2)CC1 ZINC000633356626 566098496 /nfs/dbraw/zinc/09/84/96/566098496.db2.gz CMCZVCCBXKELGY-LBPRGKRZSA-N 1 0 388.270 2.559 20 0 GFADRO Cc1csc(-c2ccc(S(=O)(=O)N3C[C@@H]4CCC[C@H]([NH3+])[C@H]4C3)cc2)n1 ZINC000655951764 566098857 /nfs/dbraw/zinc/09/88/57/566098857.db2.gz YLUVQQMUFBBESV-XIRDDKMYSA-N 1 0 377.535 2.866 20 0 GFADRO Cc1c(Br)cccc1CS(=O)(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000655952725 566098865 /nfs/dbraw/zinc/09/88/65/566098865.db2.gz RFXPMSQTCDXVNP-UHFFFAOYSA-N 1 0 387.343 2.663 20 0 GFADRO O=C(NCCC1=CC[NH2+]CC1)N1CCOc2cccc(Br)c2C1 ZINC000655966891 566099865 /nfs/dbraw/zinc/09/98/65/566099865.db2.gz HIPUQAJZNKRUIN-UHFFFAOYSA-N 1 0 380.286 2.663 20 0 GFADRO O=C(N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)N1CCOc2cccc(Br)c2C1 ZINC000655969495 566099949 /nfs/dbraw/zinc/09/99/49/566099949.db2.gz JDBXEPNHKTXKTR-HZSPNIEDSA-N 1 0 394.313 2.741 20 0 GFADRO CC[C@H]1CN(C(=O)C(=O)NCCCc2c(Cl)cccc2Cl)CC[C@H]1[NH3+] ZINC000656030006 566101490 /nfs/dbraw/zinc/10/14/90/566101490.db2.gz NMZOUFKEPWMJBA-BLLLJJGKSA-N 1 0 386.323 2.628 20 0 GFADRO C[C@@H](C[NH2+]C[C@H](O)COc1c(Cl)cccc1Cl)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656153391 566106743 /nfs/dbraw/zinc/10/67/43/566106743.db2.gz QMSFIPFESDIFNN-XQLPTFJDSA-N 1 0 391.339 2.820 20 0 GFADRO CCC(C)(C)[NH+]1CCN(c2ccc(S(N)(=O)=O)c(C(F)(F)F)c2)CC1 ZINC000656214720 566114957 /nfs/dbraw/zinc/11/49/57/566114957.db2.gz AJUYHEGIPPRCFR-UHFFFAOYSA-N 1 0 379.448 2.663 20 0 GFADRO Ic1ccc(-c2nc(CN3C[C@H]4C[NH2+]C[C@@H]4C3)co2)cc1 ZINC000611136036 566117222 /nfs/dbraw/zinc/11/72/22/566117222.db2.gz KHSKRVAHVGNTCD-CHWSQXEVSA-N 1 0 395.244 2.597 20 0 GFADRO CNC(=O)[C@@H]1CCC[N@H+](Cc2cn(-c3cccc(Br)c3)nc2C)C1 ZINC000656252678 566117542 /nfs/dbraw/zinc/11/75/42/566117542.db2.gz VSJGWDWVWXAHQG-CQSZACIVSA-N 1 0 391.313 2.901 20 0 GFADRO Cc1cc(Br)cc(NC(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)c1 ZINC000681615815 566118369 /nfs/dbraw/zinc/11/83/69/566118369.db2.gz BUEVQQZCBMELCQ-HOTGVXAUSA-N 1 0 382.302 2.820 20 0 GFADRO CS[C@H]1CN(C(=O)C2(c3ccc(Br)cc3)CC2)C[C@@H]1[NH+](C)C ZINC000611165471 566118759 /nfs/dbraw/zinc/11/87/59/566118759.db2.gz VSNISTMKMJOIBR-GJZGRUSLSA-N 1 0 383.355 2.985 20 0 GFADRO Fc1cc2c(cc1Br)[C@@H](NC1CC[NH+]([C@H]3CCOC3)CC1)CO2 ZINC000656259274 566119456 /nfs/dbraw/zinc/11/94/56/566119456.db2.gz CMMCYEFAKRSRMH-LRDDRELGSA-N 1 0 385.277 2.865 20 0 GFADRO COC(=O)c1sc2ccccc2c1CNC(=O)C[N@H+](C)[C@H]1CCSC1 ZINC000611203223 566121253 /nfs/dbraw/zinc/12/12/53/566121253.db2.gz DQEFVQPVOROIJC-LBPRGKRZSA-N 1 0 378.519 2.741 20 0 GFADRO O[C@@H]1C[C@H]2CN(Cc3cnc(-c4ccc(Br)cc4)s3)CC[N@@H+]2C1 ZINC000656273274 566121760 /nfs/dbraw/zinc/12/17/60/566121760.db2.gz BDPCWEGYHCVFJB-LSDHHAIUSA-N 1 0 394.338 2.823 20 0 GFADRO O[C@@H]1C[C@H]2CN(Cc3ccc(-c4cccc(Br)c4)o3)CC[N@@H+]2C1 ZINC000656272991 566122511 /nfs/dbraw/zinc/12/25/11/566122511.db2.gz NKASJZGIUIKTHP-JKSUJKDBSA-N 1 0 377.282 2.960 20 0 GFADRO C[C@H]1C[C@@H](NC(=O)C(=O)NCCCc2c(Cl)cccc2Cl)CC[N@@H+]1C ZINC000656316633 566123409 /nfs/dbraw/zinc/12/34/09/566123409.db2.gz SISXKKRPVIRPFM-STQMWFEESA-N 1 0 386.323 2.641 20 0 GFADRO CC[C@@H]([NH2+]C[C@@H](C)S(C)(=O)=O)c1ccc(I)cc1 ZINC000611337516 566126797 /nfs/dbraw/zinc/12/67/97/566126797.db2.gz XHAWVCVEHHBWOQ-ZWNOBZJWSA-N 1 0 381.279 2.765 20 0 GFADRO CC[N@@H+]1CCN(C(=O)Nc2ccc(Br)c(C(=O)OC)c2)C[C@H]1C ZINC000611391358 566129051 /nfs/dbraw/zinc/12/90/51/566129051.db2.gz HRGOUWHAUZUWBC-LLVKDONJSA-N 1 0 384.274 2.794 20 0 GFADRO C[C@H]1CN(C[C@@H](O)COc2ccc(Cl)c(Cl)c2)CC[N@@H+]1CC(C)(C)O ZINC000682043185 566141659 /nfs/dbraw/zinc/14/16/59/566141659.db2.gz HPOFQZBBXWRGHQ-UONOGXRCSA-N 1 0 391.339 2.510 20 0 GFADRO CCC1([NH+](C)C)CCN(C(=O)c2cc(Br)cc3[nH]c(=O)[nH]c32)CC1 ZINC000634124779 566144443 /nfs/dbraw/zinc/14/44/43/566144443.db2.gz JMSRQDLIWQUKKV-UHFFFAOYSA-N 1 0 395.301 2.977 20 0 GFADRO C[NH+](C)C1(CNC(=O)[C@@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)CCC1 ZINC000682168590 566144890 /nfs/dbraw/zinc/14/48/90/566144890.db2.gz LNACKWKUCFVHRO-ZDUSSCGKSA-N 1 0 384.307 2.947 20 0 GFADRO CC1(C)CN(Cc2nc(-c3ccc(Br)cc3)c[nH]2)CC[N@@H+]1CCO ZINC000682167018 566144944 /nfs/dbraw/zinc/14/49/44/566144944.db2.gz XMHBQWBIEYTQOX-UHFFFAOYSA-N 1 0 393.329 2.728 20 0 GFADRO CN(Cc1cccc(O)c1Br)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000656617896 566146629 /nfs/dbraw/zinc/14/66/29/566146629.db2.gz JVKSSMVTLBTNSD-MRXNPFEDSA-N 1 0 382.346 2.755 20 0 GFADRO O=C(NCC[NH2+][C@@H]1CCc2c1cccc2F)c1ccc(Br)cn1 ZINC000656678924 566154648 /nfs/dbraw/zinc/15/46/48/566154648.db2.gz NAPVDQRMTFNYPM-OAHLLOKOSA-N 1 0 378.245 2.990 20 0 GFADRO NC(=O)[C@H](Cc1ccc(F)cc1)[NH2+][C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21 ZINC000634575842 566160985 /nfs/dbraw/zinc/16/09/85/566160985.db2.gz AZCKELQLHCCWRR-LAVFITLUSA-N 1 0 389.268 2.913 20 0 GFADRO COc1cc(Br)ccc1[C@H](C)[NH2+]CC[C@@H]1CCS(=O)(=O)C1 ZINC000682540416 566161462 /nfs/dbraw/zinc/16/14/62/566161462.db2.gz TZKCNGVMPSTRLL-NWDGAFQWSA-N 1 0 376.316 2.933 20 0 GFADRO C[C@H](CCc1ccc(Br)cc1)[NH2+]C[C@H](O)CC1(O)CCOCC1 ZINC000634644028 566163306 /nfs/dbraw/zinc/16/33/06/566163306.db2.gz NFUSKIZPTOKPQR-RHSMWYFYSA-N 1 0 386.330 2.652 20 0 GFADRO C[C@@H](CC(F)(F)F)CS(=O)(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000656875284 566171748 /nfs/dbraw/zinc/17/17/48/566171748.db2.gz QFOZDJQIGOBAPU-ZDUSSCGKSA-N 1 0 388.521 2.856 20 0 GFADRO C[C@@H]([NH2+]C[C@@H](O)CC1(O)CCOCC1)c1cc(F)c(Br)cc1F ZINC000634722946 566173779 /nfs/dbraw/zinc/17/37/79/566173779.db2.gz XQGJGRVIOZVKIH-MNOVXSKESA-N 1 0 394.256 2.670 20 0 GFADRO C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)c1cnn(-c3ccc(Br)cc3)c1)C2 ZINC000634748027 566174289 /nfs/dbraw/zinc/17/42/89/566174289.db2.gz JVGCBNQSAJTFIC-HDICACEKSA-N 1 0 389.297 2.706 20 0 GFADRO C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)c1ccc(-n3cc(Br)cn3)cc1)C2 ZINC000634748094 566174929 /nfs/dbraw/zinc/17/49/29/566174929.db2.gz LYNMQZNNRDHSRJ-HDICACEKSA-N 1 0 389.297 2.706 20 0 GFADRO Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)c(C)c1Br ZINC000682899377 566175226 /nfs/dbraw/zinc/17/52/26/566175226.db2.gz GTDQFZGNCYVXIU-OAHLLOKOSA-N 1 0 394.357 2.964 20 0 GFADRO C[C@@H]([NH2+]CCc1nnnn1C)c1ccc(Br)cc1C(F)(F)F ZINC000682909301 566175896 /nfs/dbraw/zinc/17/58/96/566175896.db2.gz VHMCZXGNQBZGLG-MRVPVSSYSA-N 1 0 378.196 2.885 20 0 GFADRO C[C@H](CNC(=O)N[C@H]1CC12CC[NH2+]CC2)Oc1ccc(Br)cc1 ZINC000612977978 566180463 /nfs/dbraw/zinc/18/04/63/566180463.db2.gz UHKIBRVXVVPYAT-DOMZBBRYSA-N 1 0 382.302 2.658 20 0 GFADRO O=C(N[C@H]1CC12CC[NH2+]CC2)N1CCc2c(Br)ccc(F)c2C1 ZINC000612980775 566181699 /nfs/dbraw/zinc/18/16/99/566181699.db2.gz VFEVQKCTDPFPKH-HNNXBMFYSA-N 1 0 382.277 2.798 20 0 GFADRO O=C(N[C@@H]1CC12CC[NH2+]CC2)N1CCOC[C@@H]1c1ccc(Br)cc1 ZINC000612996154 566182486 /nfs/dbraw/zinc/18/24/86/566182486.db2.gz OIHNWJQKOBXSIX-HZPDHXFCSA-N 1 0 394.313 2.674 20 0 GFADRO COc1ccc(CCC(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)c(Br)c1 ZINC000613328490 566194112 /nfs/dbraw/zinc/19/41/12/566194112.db2.gz MVKNEGPRPOVTAR-YOEHRIQHSA-N 1 0 381.314 2.943 20 0 GFADRO CC[NH+](CC)C[C@H](C)NS(=O)(=O)Cc1cc(F)ccc1Br ZINC000656967632 566196417 /nfs/dbraw/zinc/19/64/17/566196417.db2.gz ZUYSDLJEMQVWKR-NSHDSACASA-N 1 0 381.311 2.738 20 0 GFADRO O=C(CN1C[C@@H]2C[NH2+]C[C@H]2C1)Nc1ccc(Br)c(C(F)(F)F)c1 ZINC000613552518 566201997 /nfs/dbraw/zinc/20/19/97/566201997.db2.gz HVIBCQUNSINXRY-UWVGGRQHSA-N 1 0 392.219 2.558 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@@H](CNS(=O)(=O)c2cc(F)ccc2OC(F)F)C1 ZINC000657033235 566209700 /nfs/dbraw/zinc/20/97/00/566209700.db2.gz JNOJUVMXQXOWLP-NSHDSACASA-N 1 0 380.432 2.826 20 0 GFADRO C[C@H](NC(=O)Nc1cnn(CC[NH+](C)C)c1)c1nc(C(F)(F)F)cs1 ZINC000683789567 566214716 /nfs/dbraw/zinc/21/47/16/566214716.db2.gz WSDHJNLAPCNMCX-VIFPVBQESA-N 1 0 376.408 2.803 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@H](NS(=O)(=O)Cc2ccc(Br)c(F)c2)C1 ZINC000657060968 566215039 /nfs/dbraw/zinc/21/50/39/566215039.db2.gz KWHGTWLXMDHLTP-LBPRGKRZSA-N 1 0 393.322 2.880 20 0 GFADRO COCCC[NH+]1CCC(NC(=O)c2cc(F)c(Cl)c(N)c2Cl)CC1 ZINC000635479761 566215444 /nfs/dbraw/zinc/21/54/44/566215444.db2.gz RXFPAPVHCFCHQC-UHFFFAOYSA-N 1 0 378.275 2.945 20 0 GFADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)Nc1cc(F)cc(Br)c1F ZINC000683811703 566215662 /nfs/dbraw/zinc/21/56/62/566215662.db2.gz ZJNGATCUANOEPV-LLVKDONJSA-N 1 0 392.244 2.960 20 0 GFADRO COc1ccc(S(=O)(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)c(Br)c1 ZINC000657063191 566216012 /nfs/dbraw/zinc/21/60/12/566216012.db2.gz VKHURMWXWZYRQX-LLVKDONJSA-N 1 0 391.331 2.609 20 0 GFADRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)c3cc(F)c(Cl)c(N)c3Cl)CC2)C1 ZINC000635570544 566220007 /nfs/dbraw/zinc/22/00/07/566220007.db2.gz FQOBJSYWFKBIDG-LLVKDONJSA-N 1 0 389.302 2.567 20 0 GFADRO Cc1nc(CS(=O)(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cs1 ZINC000684102110 566226633 /nfs/dbraw/zinc/22/66/33/566226633.db2.gz OVTPQZFPGSZXRK-KRWDZBQOSA-N 1 0 379.551 2.735 20 0 GFADRO Cc1nc(CS(=O)(=O)NC[C@]2(C)CCC[N@@H+]2Cc2ccccc2)cs1 ZINC000684106348 566227314 /nfs/dbraw/zinc/22/73/14/566227314.db2.gz SDULDHZXLOEJMY-SFHVURJKSA-N 1 0 379.551 2.926 20 0 GFADRO CC[C@@H](Cc1cccc(Br)c1)C(=O)N1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000684176043 566229526 /nfs/dbraw/zinc/22/95/26/566229526.db2.gz SMWAHEPXCBNUQB-QFBILLFUSA-N 1 0 397.357 2.933 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)N2CCOc3c(Br)cccc3C2)C[N@@H+]1C1CC1 ZINC000684273294 566232022 /nfs/dbraw/zinc/23/20/22/566232022.db2.gz YTQQWDRAGMLQMH-TZMCWYRMSA-N 1 0 394.313 2.978 20 0 GFADRO C[N@H+](CC(=O)N1CCOc2c(Br)cccc2C1)[C@H]1CCSC1 ZINC000684333115 566233860 /nfs/dbraw/zinc/23/38/60/566233860.db2.gz LSNJOHDWWYGQGD-ZDUSSCGKSA-N 1 0 385.327 2.607 20 0 GFADRO CCCS(=O)(=O)N1CCC([NH2+][C@@H](C)c2ccc(Br)cn2)CC1 ZINC000684549886 566238060 /nfs/dbraw/zinc/23/80/60/566238060.db2.gz AMWAIHQQLOLIPB-LBPRGKRZSA-N 1 0 390.347 2.699 20 0 GFADRO C[N@H+](CCc1ccc(Cl)cc1)[C@@H]1CCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000736804602 598832854 /nfs/dbraw/zinc/83/28/54/598832854.db2.gz RQGDGSYABMXJOB-GOSISDBHSA-N 1 0 396.882 2.800 20 0 GFADRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)CCc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000736266786 598868457 /nfs/dbraw/zinc/86/84/57/598868457.db2.gz KAIDICDJSYACJM-HKUYNNGSSA-N 1 0 396.539 2.912 20 0 GFADRO CCOC[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)C1 ZINC000736609304 598872978 /nfs/dbraw/zinc/87/29/78/598872978.db2.gz PQTPQTCEENRGEZ-CHWSQXEVSA-N 1 0 392.891 2.596 20 0 GFADRO CCOc1ccccc1[C@H](C)[NH2+][C@@H]1CCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000736653508 598960575 /nfs/dbraw/zinc/96/05/75/598960575.db2.gz BAVBQQFSLLNSCK-KBXCAEBGSA-N 1 0 392.463 2.722 20 0 GFADRO c1ccc2c(c1)nnc(-c1nn[nH]n1)c2N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000738432163 598965725 /nfs/dbraw/zinc/96/57/25/598965725.db2.gz FUXZKRWQFFIMMY-INIZCTEOSA-N 1 0 392.511 2.902 20 0 GFADRO O=C(NC[C@H]1CCC[N@@H+]1Cc1ccccc1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000738049517 598963231 /nfs/dbraw/zinc/96/32/31/598963231.db2.gz JWWKCWQYKNQQBN-GOSISDBHSA-N 1 0 377.452 2.653 20 0 GFADRO O=C(OC[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc(-c2nn[nH]n2)cc1 ZINC000738218450 598978620 /nfs/dbraw/zinc/97/86/20/598978620.db2.gz FEFSMWWQTHWNLA-KRWDZBQOSA-N 1 0 377.448 2.936 20 0 GFADRO NC(=O)[C@H](c1ccc(-c2nn[nH]n2)cc1)[N@@H+]1CCC[C@H](c2ccccc2)CC1 ZINC000737739968 599074206 /nfs/dbraw/zinc/07/42/06/599074206.db2.gz SBEIWWYQVVFBTA-LPHOPBHVSA-N 1 0 376.464 2.663 20 0 GFADRO COCCC[N@H+](CCc1ccc(OC)cc1)Cc1ccccc1-c1nn[nH]n1 ZINC000736982537 599081419 /nfs/dbraw/zinc/08/14/19/599081419.db2.gz YQRCZUGNTPUXOV-UHFFFAOYSA-N 1 0 381.480 2.957 20 0 GFADRO C[N@@H+]1CCC[C@H](CNC(=O)c2ccc(-c3nn[nH]n3)cc2)[C@@H]1c1cccs1 ZINC000736858978 599085184 /nfs/dbraw/zinc/08/51/84/599085184.db2.gz WMRYRJMILAHHBW-NVXWUHKLSA-N 1 0 382.493 2.741 20 0 GFADRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1nc2c(cc1-c1nn[nH]n1)CCC2 ZINC000821597973 599107385 /nfs/dbraw/zinc/10/73/85/599107385.db2.gz MXOSZBWRMIJCRM-QGZVFWFLSA-N 1 0 389.507 2.709 20 0 GFADRO C[C@@H](CNC(=O)N(CC[NH+](C)C)Cc1ccc(-c2nn[nH]n2)cc1)C(C)(C)C ZINC000736016684 599147236 /nfs/dbraw/zinc/14/72/36/599147236.db2.gz CECOITLPHCZJKJ-HNNXBMFYSA-N 1 0 387.532 2.622 20 0 GFADRO CCC[N@H+](C)C[C@H]1CCN(C(=S)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)C1 ZINC000821088103 599229966 /nfs/dbraw/zinc/22/99/66/599229966.db2.gz JPOYWMUUFUTACV-GFCCVEGCSA-N 1 0 393.948 2.881 20 0 GFADRO C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)Nc1cc(-c2nn[nH]n2)cn1C(C)(C)C ZINC000736293609 599239935 /nfs/dbraw/zinc/23/99/35/599239935.db2.gz PBQVSHAZAXLMSF-HIFRSBDPSA-N 1 0 386.504 2.514 20 0 GFADRO Clc1ccc2ncc(-c3nn[nH]n3)c(N3CCN(c4cc[nH+]cc4)CC3)c2c1 ZINC000737572780 599260755 /nfs/dbraw/zinc/26/07/55/599260755.db2.gz FAODXGXQRXFNMK-UHFFFAOYSA-N 1 0 392.854 2.790 20 0 GFADRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(CCCOc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000736237364 599270427 /nfs/dbraw/zinc/27/04/27/599270427.db2.gz QANAPYIZNWJVDY-ZIFCJYIRSA-N 1 0 384.528 2.973 20 0 GFADRO C[C@H]([NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1cccc(Cl)c1Cl ZINC000736137235 599276155 /nfs/dbraw/zinc/27/61/55/599276155.db2.gz WIZQZJNLSLFNSD-UWVGGRQHSA-N 1 0 393.282 2.763 20 0 GFADRO Fc1cccc(N2CC[NH+](CCSc3ccccc3)CC2)c1-c1nn[nH]n1 ZINC000737662744 598239992 /nfs/dbraw/zinc/23/99/92/598239992.db2.gz ZGUDGFUZQNCZGB-UHFFFAOYSA-N 1 0 384.484 2.920 20 0 GFADRO O=C(C[NH2+][C@@H](c1ccccc1)C1CCC1)NCc1cccc(-c2nn[nH]n2)c1 ZINC000737890581 598247750 /nfs/dbraw/zinc/24/77/50/598247750.db2.gz AWGRXIMWKZKNPX-FQEVSTJZSA-N 1 0 376.464 2.614 20 0 GFADRO O=C(CC[N@H+]1CC[C@H](c2cccc(F)c2)C1)Nc1sccc1-c1nn[nH]n1 ZINC000737838150 598253044 /nfs/dbraw/zinc/25/30/44/598253044.db2.gz JIYVWDARXIQASA-ZDUSSCGKSA-N 1 0 386.456 2.885 20 0 GFADRO Fc1ccc(OCCC[NH+]2CCN(c3ccccc3-c3nn[nH]n3)CC2)cc1 ZINC000737657053 598253811 /nfs/dbraw/zinc/25/38/11/598253811.db2.gz TXJCRIYRXKPAJX-UHFFFAOYSA-N 1 0 382.443 2.597 20 0 GFADRO Cc1ccccc1[C@@H]1CC[N@H+](CCC(=O)Nc2ccccc2-c2nn[nH]n2)C1 ZINC000737424871 598254954 /nfs/dbraw/zinc/25/49/54/598254954.db2.gz YFJTYBPAMMXTQK-MRXNPFEDSA-N 1 0 376.464 2.993 20 0 GFADRO Cc1ccccc1[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2-c2nn[nH]n2)C1 ZINC000737423408 598255298 /nfs/dbraw/zinc/25/52/98/598255298.db2.gz PNBFSKPJSMWTBW-HOTGVXAUSA-N 1 0 376.464 2.992 20 0 GFADRO S=C(NCC[NH+]1CCCCCC1)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000738400975 598319738 /nfs/dbraw/zinc/31/97/38/598319738.db2.gz MMOQTPGWLCMQNG-UHFFFAOYSA-N 1 0 379.921 2.683 20 0 GFADRO C[C@@H]([NH2+]Cc1cnc2c(-c3nn[nH]n3)cnn2c1)c1csc2ccccc12 ZINC000736135226 598369386 /nfs/dbraw/zinc/36/93/86/598369386.db2.gz OEQQZEBKLMPDAM-LLVKDONJSA-N 1 0 376.449 2.975 20 0 GFADRO CC(C)N(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)NC[C@H](C)[NH+]1CCCCC1 ZINC000736016626 598430008 /nfs/dbraw/zinc/43/00/08/598430008.db2.gz BNAJJNDHCPSYSK-INIZCTEOSA-N 1 0 385.516 2.661 20 0 GFADRO c1cc2c(c([C@@H]3CCC[N@H+]3CCOc3ccc(-c4nn[nH]n4)cc3)c1)OCCO2 ZINC000738422443 598463692 /nfs/dbraw/zinc/46/36/92/598463692.db2.gz ZGRASFQKVQOHKI-SFHVURJKSA-N 1 0 393.447 2.854 20 0 GFADRO Cc1oc(-n2cccc2)c(-c2nn[nH]n2)c1C(=O)NCC[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000737548978 598466996 /nfs/dbraw/zinc/46/69/96/598466996.db2.gz SPLDEKGYKPOOLE-KBPBESRZSA-N 1 0 397.483 2.552 20 0 GFADRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)Nc1cc(-c2nn[nH]n2)cn1C(C)(C)C ZINC000736253981 598471333 /nfs/dbraw/zinc/47/13/33/598471333.db2.gz WZRDPGBVIFOMSL-ZIAGYGMSSA-N 1 0 388.520 2.808 20 0 GFADRO C[NH+](C)CCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)NCC1(C)CCCC1 ZINC000736767206 598543149 /nfs/dbraw/zinc/54/31/49/598543149.db2.gz NVCYWEVRSMKHNM-UHFFFAOYSA-N 1 0 385.516 2.520 20 0 GFADRO CC(C)[NH+]1CCN(c2ccc(C(=O)Nc3ccccc3-c3nn[nH]n3)cc2)CC1 ZINC000735882310 598571935 /nfs/dbraw/zinc/57/19/35/598571935.db2.gz PDNYAIMGMUICQP-UHFFFAOYSA-N 1 0 391.479 2.649 20 0 GFADRO Cc1ccccc1C[N@@H+]1CCCN(c2ccc(Cl)c(-c3nn[nH]n3)n2)CC1 ZINC000737428112 598575183 /nfs/dbraw/zinc/57/51/83/598575183.db2.gz KHYRNRGHQJVGJF-UHFFFAOYSA-N 1 0 383.887 2.936 20 0 GFADRO CC[NH+](CC)CC(=O)Nc1ccc(OCc2cccc(-c3nn[nH]n3)c2)c(F)c1 ZINC000736534100 598600058 /nfs/dbraw/zinc/60/00/58/598600058.db2.gz LWFDCSYGAPTUPZ-UHFFFAOYSA-N 1 0 398.442 2.865 20 0 GFADRO Cc1ccc([C@@H](CNC(=O)Nc2ccc(F)c(-c3nn[nH]n3)c2)[NH+]2CCCC2)o1 ZINC000737319088 598626538 /nfs/dbraw/zinc/62/65/38/598626538.db2.gz CMHWXTJZGTVMNN-MRXNPFEDSA-N 1 0 399.430 2.866 20 0 GFADRO C[NH+](C)CCOc1cccc(NC(=O)CSc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000736769344 598653811 /nfs/dbraw/zinc/65/38/11/598653811.db2.gz PDUQARTWROEAJQ-UHFFFAOYSA-N 1 0 398.492 2.538 20 0 GFADRO C[NH+](C)CCc1ccc(NC(=O)CSc2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000736771015 598659856 /nfs/dbraw/zinc/65/98/56/598659856.db2.gz GSDUVFQUBSPMMN-UHFFFAOYSA-N 1 0 382.493 2.702 20 0 GFADRO Cc1cccc(CN(CC[NH+](C)C)C(=O)CCc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000737394774 598670097 /nfs/dbraw/zinc/67/00/97/598670097.db2.gz WAOYQRWAJXBYMQ-UHFFFAOYSA-N 1 0 392.507 2.698 20 0 GFADRO c1c2c(nc(N3CCC[C@H](C[NH+]4CCCCCC4)C3)c1-c1nn[nH]n1)CCC2 ZINC000738406269 598673696 /nfs/dbraw/zinc/67/36/96/598673696.db2.gz SQUOTWNTAJBOIK-MRXNPFEDSA-N 1 0 381.528 2.843 20 0 GFADRO CC[NH+](CC)[C@H](CNC(=O)CSc1ccc(-c2nn[nH]n2)cc1)CC(C)C ZINC000736535852 598700197 /nfs/dbraw/zinc/70/01/97/598700197.db2.gz ZPHWLSJRIVPCLA-INIZCTEOSA-N 1 0 390.557 2.832 20 0 GFADRO O=C(C[N@H+]1CC[C@H](c2ccc(Cl)cc2)C1)Nc1cccc(-c2nn[nH]n2)c1 ZINC000737877977 598708896 /nfs/dbraw/zinc/70/88/96/598708896.db2.gz YCUVONWDDWJIAZ-HNNXBMFYSA-N 1 0 382.855 2.948 20 0 GFADRO O[C@H](C[NH+]1CCC(Oc2ccc(-c3nn[nH]n3)cc2)CC1)c1cccc(F)c1 ZINC000738380918 598765661 /nfs/dbraw/zinc/76/56/61/598765661.db2.gz IVIBGJQFXJHTSY-LJQANCHMSA-N 1 0 383.427 2.583 20 0 GFADRO c1cc2c(cc1C[NH+]1CCC(Oc3ccc(-c4nn[nH]n4)cc3)CC1)OCCO2 ZINC000738422344 598765760 /nfs/dbraw/zinc/76/57/60/598765760.db2.gz WWKRILMLXXRVDZ-UHFFFAOYSA-N 1 0 393.447 2.681 20 0 GFADRO O[C@@H](C[NH+]1CCC(Oc2ccc(-c3nn[nH]n3)cc2)CC1)c1cccc(F)c1 ZINC000738380916 598765959 /nfs/dbraw/zinc/76/59/59/598765959.db2.gz IVIBGJQFXJHTSY-IBGZPJMESA-N 1 0 383.427 2.583 20 0 GFADRO CC[NH+](CC)[C@@H](C(=O)N(C)Cc1ccc(-c2nn[nH]n2)cc1)c1ccccc1 ZINC000736535308 598808667 /nfs/dbraw/zinc/80/86/67/598808667.db2.gz WIGOERFWOHSHFA-LJQANCHMSA-N 1 0 378.480 2.908 20 0 GFADRO C[C@@H](c1ccc(-c2nn[nH]n2)cc1)[N@@H+]1CCCN(C(=O)c2ccc(F)cc2)CC1 ZINC000736196585 599308708 /nfs/dbraw/zinc/30/87/08/599308708.db2.gz KIFNYDMLDJSXAA-HNNXBMFYSA-N 1 0 394.454 2.915 20 0 GFADRO CC[NH+]1CCN(c2ccc(C(=O)Nc3cc(-c4nn[nH]n4)ccc3C)cc2)CC1 ZINC000821275928 599318261 /nfs/dbraw/zinc/31/82/61/599318261.db2.gz FQUHRAQEBBWRPB-UHFFFAOYSA-N 1 0 391.479 2.569 20 0 GFADRO C[C@H](C(=O)N(Cc1ccc(-c2nn[nH]n2)cc1)C1CC1)[N@H+](C)Cc1ccccc1 ZINC000735510383 599370605 /nfs/dbraw/zinc/37/06/05/599370605.db2.gz AZNPXTRNAANSEM-MRXNPFEDSA-N 1 0 390.491 2.878 20 0 GFADRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2cccc(-c3nn[nH]n3)c2)cc1OC ZINC000821831489 599392011 /nfs/dbraw/zinc/39/20/11/599392011.db2.gz AXYIMVDICLVLFK-OLZOCXBDSA-N 1 0 396.451 2.562 20 0 GFADRO C[C@@H](NC(=O)NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1cccc(-c2nn[nH]n2)c1 ZINC000820650538 599417287 /nfs/dbraw/zinc/41/72/87/599417287.db2.gz VQKLHBHSNDINEF-BRWVUGGUSA-N 1 0 399.543 2.985 20 0 GFADRO C[C@H](NC(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1)c1cccc(-c2nn[nH]n2)c1 ZINC000820709732 599422727 /nfs/dbraw/zinc/42/27/27/599422727.db2.gz LMQFINPMQRAWQD-CABCVRRESA-N 1 0 385.516 2.737 20 0 GFADRO FC(F)(F)c1cc(NC2CC[NH+](C[C@@H]3CCOC3)CC2)ccc1-c1nn[nH]n1 ZINC000737631477 599441196 /nfs/dbraw/zinc/44/11/96/599441196.db2.gz DMVNZKQAVSAYGB-LBPRGKRZSA-N 1 0 396.417 2.798 20 0 GFADRO C[C@H](NC(=O)NC[C@H](C1CCCCC1)[NH+](C)C)c1cccc(-c2nn[nH]n2)c1 ZINC000820359631 599442299 /nfs/dbraw/zinc/44/22/99/599442299.db2.gz UGZCFGWUSIUGPX-KBXCAEBGSA-N 1 0 385.516 2.737 20 0 GFADRO C[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@@H+]1C[C@@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000736235305 599477202 /nfs/dbraw/zinc/47/72/02/599477202.db2.gz MZUOFPFQYYSNBQ-LSBZLQRGSA-N 1 0 397.454 2.624 20 0 GFADRO c1nc2ccc(-c3nn[nH]n3)cn2c1C[NH2+]C[C@H]1CCCO[C@H]1c1ccccc1 ZINC000738426636 599487153 /nfs/dbraw/zinc/48/71/53/599487153.db2.gz FVAXFIRGBCGHON-UZLBHIALSA-N 1 0 389.463 2.772 20 0 GFADRO c1nc2ccc(-c3nn[nH]n3)cn2c1C[NH2+]C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000738426624 599487701 /nfs/dbraw/zinc/48/77/01/599487701.db2.gz FVAXFIRGBCGHON-JXFKEZNVSA-N 1 0 389.463 2.772 20 0 GFADRO CC[NH+](CC)CC(=O)Nc1c(-c2nn[nH]n2)c(C)c(C)n1-c1cccc(F)c1 ZINC000736535246 599509076 /nfs/dbraw/zinc/50/90/76/599509076.db2.gz VZLBEKSKHQJIRB-UHFFFAOYSA-N 1 0 385.447 2.694 20 0 GFADRO C[C@@H]1CN(c2ccc(Cl)cc2-c2nn[nH]n2)CC[N@@H+]1C[C@@H](O)c1ccccc1 ZINC000820776409 599530606 /nfs/dbraw/zinc/53/06/06/599530606.db2.gz LZKYVVDRAAYDCJ-AUUYWEPGSA-N 1 0 398.898 2.764 20 0 GFADRO CN(C)c1ccccc1C[NH+]1CCC(Oc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000821591016 599574264 /nfs/dbraw/zinc/57/42/64/599574264.db2.gz QIWQXTHALXCSEF-UHFFFAOYSA-N 1 0 378.480 2.976 20 0 GFADRO C[C@H](c1ccc(-c2nn[nH]n2)cc1)[N@H+](C)CCN1CCN(c2ccccc2)CC1 ZINC000736194837 599589925 /nfs/dbraw/zinc/58/99/25/599589925.db2.gz CEWLLVRNCHDXAV-GOSISDBHSA-N 1 0 391.523 2.682 20 0 GFADRO Cc1cc(N[C@H]2CC[N@H+](C)[C@H](C)C2)n2c3ccccc3nc2c1-c1nn[nH]n1 ZINC000822209622 599591015 /nfs/dbraw/zinc/59/10/15/599591015.db2.gz PVESWOZGMINQBN-KGLIPLIRSA-N 1 0 376.468 2.871 20 0 GFADRO O[C@H](C[C@@H]1CCC[N@@H+]1CCOc1ccc(-c2nn[nH]n2)cc1)c1ccccc1 ZINC000823672647 599593176 /nfs/dbraw/zinc/59/31/76/599593176.db2.gz FTMWTIPLJRIIMH-AZUAARDMSA-N 1 0 379.464 2.834 20 0 GFADRO O[C@H](C[C@@H]1CCC[N@@H+]1CCOc1cccc(-c2nn[nH]n2)c1)c1ccccc1 ZINC000823672876 599593760 /nfs/dbraw/zinc/59/37/60/599593760.db2.gz HQARBBCXXPKVHH-AZUAARDMSA-N 1 0 379.464 2.834 20 0 GFADRO O=C(CC[N@@H+]1CCSC[C@H]1c1ccccc1)Nc1cccc(-c2nn[nH]n2)c1 ZINC000822969263 599638832 /nfs/dbraw/zinc/63/88/32/599638832.db2.gz KRYUFLSXVHVAIZ-SFHVURJKSA-N 1 0 394.504 2.985 20 0 GFADRO CC[N@H+](CCC(=O)Nc1ccc(-c2nn[nH]n2)cc1)C[C@@H](O)c1ccc(C)cc1 ZINC000821207657 599644752 /nfs/dbraw/zinc/64/47/52/599644752.db2.gz ROQCFAHRJCCVNF-LJQANCHMSA-N 1 0 394.479 2.559 20 0 GFADRO COc1ccc(C[NH2+][C@H](C)c2cccc(-n3cccn3)c2)cc1-c1nn[nH]n1 ZINC000821803141 599647383 /nfs/dbraw/zinc/64/73/83/599647383.db2.gz CIJJKAFCZIWEKX-CQSZACIVSA-N 1 0 375.436 2.912 20 0 GFADRO C[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccccc1)c1cccc(-c2nn[nH]n2)c1 ZINC000820342911 599680683 /nfs/dbraw/zinc/68/06/83/599680683.db2.gz YMEZPZPBLFEGCG-MRXNPFEDSA-N 1 0 393.495 2.701 20 0 GFADRO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)Nc1ccc(Oc2ccc(-c3nn[nH]n3)cc2)nc1 ZINC000820683407 599697077 /nfs/dbraw/zinc/69/70/77/599697077.db2.gz ATNCNEAXIFTHCP-ZIAGYGMSSA-N 1 0 393.451 2.865 20 0 GFADRO CC(C)Oc1ccc(NC(=O)N[C@H](C)C(C)(C)C[NH+](C)C)cc1-c1nn[nH]n1 ZINC000820164078 607423407 /nfs/dbraw/zinc/42/34/07/607423407.db2.gz CGKNRPIVFHVISR-CYBMUJFWSA-N 1 0 389.504 2.752 20 0 GFADRO COc1ccc(CN2CCC[N@H+](Cc3ccccc3)CC2)cc1-c1nn[nH]n1 ZINC000821794450 607442718 /nfs/dbraw/zinc/44/27/18/607442718.db2.gz HMQWPZNKIFLMGG-UHFFFAOYSA-N 1 0 378.480 2.583 20 0 GFADRO C[NH+](C)C1(CNC(=O)NC2(c3cccc(-c4nn[nH]n4)c3)CC2)CCCCCC1 ZINC000825851252 607446628 /nfs/dbraw/zinc/44/66/28/607446628.db2.gz VJALMJGPASQJRH-UHFFFAOYSA-N 1 0 397.527 2.810 20 0 GFADRO C[C@H]1CCC[C@](CNC(=O)NC2(c3cccc(-c4nn[nH]n4)c3)CC2)([NH+](C)C)C1 ZINC000824926610 607453088 /nfs/dbraw/zinc/45/30/88/607453088.db2.gz KGBPTOHNJPXWLR-YWZLYKJASA-N 1 0 397.527 2.666 20 0 GFADRO c1ccc2c(c1)ncc(-c1nn[nH]n1)c2N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000823792010 607470899 /nfs/dbraw/zinc/47/08/99/607470899.db2.gz MMIRHEYNYMQDLQ-IFXJQAMLSA-N 1 0 375.480 2.868 20 0 GFADRO FC(F)(F)c1ccc(-c2nn[nH]n2)c(N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)n1 ZINC000822723299 607471356 /nfs/dbraw/zinc/47/13/56/607471356.db2.gz CWNYBVDIQDCTEV-RISCZKNCSA-N 1 0 393.417 2.734 20 0 GFADRO CC(C)(C)OC(=O)N1CC[C@H]([N@H+](Cc2ccccc2-c2nn[nH]n2)C2CC2)C1 ZINC000824104813 607473850 /nfs/dbraw/zinc/47/38/50/607473850.db2.gz YOPPGGFFZPMPKS-INIZCTEOSA-N 1 0 384.484 2.841 20 0 GFADRO CCOc1cc(C[N@H+](C)Cc2ccnc(-c3nn[nH]n3)c2)ccc1OC(F)F ZINC000825615638 607483881 /nfs/dbraw/zinc/48/38/81/607483881.db2.gz DSXDGZKKJUACFH-UHFFFAOYSA-N 1 0 390.394 2.894 20 0 GFADRO COc1ccc(OC2CC[NH+](Cc3ccc(OC)c(-c4nn[nH]n4)c3)CC2)cc1 ZINC000826211006 607487020 /nfs/dbraw/zinc/48/70/20/607487020.db2.gz MFCITUKMFBUHAO-UHFFFAOYSA-N 1 0 395.463 2.927 20 0 GFADRO CN(C(=O)CC[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)C1CC1)c1ccccc1 ZINC000825817092 607491410 /nfs/dbraw/zinc/49/14/10/607491410.db2.gz AATBGNSYQJJBDZ-UHFFFAOYSA-N 1 0 376.464 2.884 20 0 GFADRO C[C@@H]1C[C@H](N(C)Cc2ccnc(-c3nn[nH]n3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000824886393 607512443 /nfs/dbraw/zinc/51/24/43/607512443.db2.gz YDIDVDJOXMGNKF-VQIMIIECSA-N 1 0 377.496 2.747 20 0 GFADRO COc1ccc(C[N@@H+]2CCCC[C@H]2[C@@H](O)c2ccccc2)cc1-c1nn[nH]n1 ZINC000826194362 607520325 /nfs/dbraw/zinc/52/03/25/607520325.db2.gz KHLNFUOYFGGBAX-ICSRJNTNSA-N 1 0 379.464 2.963 20 0 GFADRO CCCCCC(=O)NC1CC[NH+](Cc2cc(-c3nn[nH]n3)ccc2OC)CC1 ZINC000825266724 607522260 /nfs/dbraw/zinc/52/22/60/607522260.db2.gz GUAJGJXSHJQNMM-UHFFFAOYSA-N 1 0 386.500 2.536 20 0 GFADRO COc1ccc(C[NH2+]C[C@H](c2ccccc2)C(C)(C)CO)cc1-c1nn[nH]n1 ZINC000826202465 607571707 /nfs/dbraw/zinc/57/17/07/607571707.db2.gz ASVJZCVPYSXFHO-GOSISDBHSA-N 1 0 381.480 2.767 20 0 GFADRO Cc1cc(-c2nn[nH]n2)ccc1C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000826248293 607673390 /nfs/dbraw/zinc/67/33/90/607673390.db2.gz CFVFCSPBRNSHKF-IBGZPJMESA-N 1 0 390.491 2.960 20 0 GFADRO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]C2CCN(C(=O)[O-])CC2)CC1 ZINC000827229252 604189763 /nfs/dbraw/zinc/18/97/63/604189763.db2.gz YUOHQUBSTLABPO-HNNXBMFYSA-N 1 0 378.492 2.761 20 0 GFADRO O=C(NCc1ccccc1C[NH+]1CCCCCC1)c1ccc(-c2nn[nH]n2)[nH]1 ZINC000826443357 607737431 /nfs/dbraw/zinc/73/74/31/607737431.db2.gz LRMRMKAFDAAPCW-UHFFFAOYSA-N 1 0 379.468 2.501 20 0 GFADRO c1cc(C[NH2+]Cc2ccc(COC3CCOCC3)cc2)cc(-c2nn[nH]n2)c1 ZINC000826516442 607752418 /nfs/dbraw/zinc/75/24/18/607752418.db2.gz LJBURATWFJWJNJ-UHFFFAOYSA-N 1 0 379.464 2.852 20 0 GFADRO C[C@@H](C[C@H]1CCCCCN1C(=O)[O-])[NH2+]C1CCN(C2CC[NH+](C)CC2)CC1 ZINC000824759926 605493344 /nfs/dbraw/zinc/49/33/44/605493344.db2.gz QUAHRHUJDYDJAS-FXAWDEMLSA-N 1 0 380.577 2.836 20 0 GFADRO CC[N@H+](CCC(=O)Nc1cc(N)ccc1F)[C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000821207004 606100060 /nfs/dbraw/zinc/10/00/60/606100060.db2.gz HTUHYZJRXHDCSW-CYBMUJFWSA-N 1 0 397.458 3.000 20 0 GFADRO C[N@H+](Cc1ccc(F)cc1-c1nn[nH]n1)C1CCN(CCc2ccccn2)CC1 ZINC000821610993 606111648 /nfs/dbraw/zinc/11/16/48/606111648.db2.gz MVSKBBGKVPSYBA-UHFFFAOYSA-N 1 0 395.486 2.540 20 0 GFADRO CCC[N@H+](C)CCC(=O)Nc1c(-c2nn[nH]n2)c(C)c(C)n1Cc1ccco1 ZINC000821088679 606111797 /nfs/dbraw/zinc/11/17/97/606111797.db2.gz SEGJWSREBNBEHQ-UHFFFAOYSA-N 1 0 385.472 2.597 20 0 GFADRO CC(C)CC[NH+]1CCC(CNC(=O)CCc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000820077003 606189127 /nfs/dbraw/zinc/18/91/27/606189127.db2.gz XNPDVECKPXWCDK-UHFFFAOYSA-N 1 0 384.528 2.674 20 0 GFADRO C[C@@H](Oc1ccc(-c2nn[nH]n2)cc1)C(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000820526680 606189394 /nfs/dbraw/zinc/18/93/94/606189394.db2.gz JLCFOYWETQWNAX-FAEJEUNOSA-N 1 0 398.511 2.547 20 0 GFADRO COc1ccc(C2(C[NH2+]Cc3cc(-c4nn[nH]n4)cs3)CCOCC2)cc1 ZINC000821782134 606213327 /nfs/dbraw/zinc/21/33/27/606213327.db2.gz AEZLPDJNSUCBSK-UHFFFAOYSA-N 1 0 385.493 2.775 20 0 GFADRO Fc1ccc(N2CC[C@@H](C[NH2+]Cc3cc(-c4nn[nH]n4)cs3)C2)cc1F ZINC000822778743 606214458 /nfs/dbraw/zinc/21/44/58/606214458.db2.gz NMJCBSRQSIULAU-NSHDSACASA-N 1 0 376.436 2.823 20 0 GFADRO CCOc1c(OC)cc(C[NH2+]Cc2cc(-c3nn[nH]n3)cs2)cc1OC ZINC000821389084 606215510 /nfs/dbraw/zinc/21/55/10/606215510.db2.gz FPZBDVOSVDSHSX-UHFFFAOYSA-N 1 0 375.454 2.634 20 0 GFADRO Cc1ccc(C(=O)N2CCC([NH2+]Cc3cc(-c4nn[nH]n4)cs3)CC2)cc1 ZINC000822226503 606215965 /nfs/dbraw/zinc/21/59/65/606215965.db2.gz VQZJUWXYXVGQMO-UHFFFAOYSA-N 1 0 382.493 2.631 20 0 GFADRO O[C@@H]([C@H](Cc1ccccc1)[NH2+]Cc1cc(-c2nn[nH]n2)cs1)C(F)(F)F ZINC000823675387 606220686 /nfs/dbraw/zinc/22/06/86/606220686.db2.gz WNBXWMYTTFQYCB-KBPBESRZSA-N 1 0 383.399 2.552 20 0 GFADRO O=C1[C@H]([NH2+]Cc2cc(-c3nn[nH]n3)cs2)CCCN1c1ccccc1Cl ZINC000823514164 606221996 /nfs/dbraw/zinc/22/19/96/606221996.db2.gz XBECBANSQYEILQ-CQSZACIVSA-N 1 0 388.884 2.867 20 0 GFADRO C[C@H](C[N@H+](C)[C@H]1CCN(c2sccc2-c2nn[nH]n2)C1=O)c1ccccc1 ZINC000820254687 606318199 /nfs/dbraw/zinc/31/81/99/606318199.db2.gz UWYMXJQVJVECJI-CJNGLKHVSA-N 1 0 382.493 2.769 20 0 GFADRO C[C@H](NC(=O)NC1CC[NH+](C2CCCC2)CC1)c1cccc(-c2nn[nH]n2)c1 ZINC000820358586 606383515 /nfs/dbraw/zinc/38/35/15/606383515.db2.gz NZCKGZXZDNFZMS-AWEZNQCLSA-N 1 0 383.500 2.634 20 0 GFADRO Cc1c[nH+]ccc1N1CCC(C(=O)N[C@H](C)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000822399401 606415354 /nfs/dbraw/zinc/41/53/54/606415354.db2.gz GPBMDTANOAHIKL-OAHLLOKOSA-N 1 0 391.479 2.664 20 0 GFADRO C[C@H]1CN([C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)c2cccs2)CCO1 ZINC000820752811 606417892 /nfs/dbraw/zinc/41/78/92/606417892.db2.gz RYLOYXFDVCDXDW-GXTWGEPZSA-N 1 0 390.538 2.541 20 0 GFADRO CC[N@@H+]1CCCN(c2c(-c3nn[nH]n3)cnc3c(F)ccc(Cl)c32)CC1 ZINC000821267448 606466543 /nfs/dbraw/zinc/46/65/43/606466543.db2.gz OLOGCNOCPAWNAB-UHFFFAOYSA-N 1 0 375.839 2.739 20 0 GFADRO COc1ccc([C@H]2[C@@H](COC(=O)c3cc(-c4nn[nH]n4)cs3)CC[N@@H+]2C)cc1 ZINC000821782232 606466934 /nfs/dbraw/zinc/46/69/34/606466934.db2.gz BSRXSXSGYZHFQU-DYVFJYSZSA-N 1 0 399.476 2.787 20 0 GFADRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+]2CC[C@H](C)[C@@H]2C)c1-c1nn[nH]n1 ZINC000822015769 606517732 /nfs/dbraw/zinc/51/77/32/606517732.db2.gz OFNXGBVTXGZEKL-JSGCOSHPSA-N 1 0 397.483 2.595 20 0 GFADRO c1ccc(CC[N@@H+](CCOc2ccccc2-c2nn[nH]n2)[C@@H]2CCOC2)cc1 ZINC000823781026 606526287 /nfs/dbraw/zinc/52/62/87/606526287.db2.gz YSLVCRPVYDPMKI-GOSISDBHSA-N 1 0 379.464 2.579 20 0 GFADRO O=C(Cc1cccc(-c2nn[nH]n2)c1)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000823097767 606537907 /nfs/dbraw/zinc/53/79/07/606537907.db2.gz AURCCZYEBRWPKY-FQEVSTJZSA-N 1 0 390.491 2.580 20 0 GFADRO O=C(NCC1CC[NH+](Cc2ccccc2)CC1)c1cc(-c2nn[nH]n2)cs1 ZINC000823176140 606539397 /nfs/dbraw/zinc/53/93/97/606539397.db2.gz QJOAYKKFEIHGQE-UHFFFAOYSA-N 1 0 382.493 2.570 20 0 GFADRO CC(C)N(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000820116314 606603047 /nfs/dbraw/zinc/60/30/47/606603047.db2.gz HAJOEIFNXPTUHR-ROUUACIJSA-N 1 0 385.516 2.660 20 0 GFADRO CC(C)N(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000820116209 606640732 /nfs/dbraw/zinc/64/07/32/606640732.db2.gz FPEILYQQPSWXGE-OAHLLOKOSA-N 1 0 387.532 2.763 20 0 GFADRO CCOc1ccc(-c2nn[nH]n2)cc1NC(=O)N(C)[C@@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000821407285 606641814 /nfs/dbraw/zinc/64/18/14/606641814.db2.gz QSEZGXOKOQAFLF-UKRRQHHQSA-N 1 0 387.488 2.602 20 0 GFADRO CC(C)(CCc1ccccc1)[NH2+]CCS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000819981344 606770161 /nfs/dbraw/zinc/77/01/61/606770161.db2.gz SKIBBGZJGWRQBH-UHFFFAOYSA-N 1 0 399.520 2.641 20 0 GFADRO C[C@H]1CN(c2c(-c3nn[nH]n3)cnc3c(F)ccc(Cl)c32)C[C@H]1[NH+](C)C ZINC000820768010 606804250 /nfs/dbraw/zinc/80/42/50/606804250.db2.gz LEEYFSISJFMTFV-TVQRCGJNSA-N 1 0 375.839 2.594 20 0 GFADRO CC(C)C[N@@H+]1CC[C@@H](CNc2c(-c3nn[nH]n3)cnc3c(F)ccc(F)c32)C1 ZINC000820092439 606808694 /nfs/dbraw/zinc/80/86/94/606808694.db2.gz LTQGMHMLUWWUET-LBPRGKRZSA-N 1 0 387.438 2.505 20 0 GFADRO C[N@@H+](Cc1cc(Br)cs1)C[C@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821607247 606854122 /nfs/dbraw/zinc/85/41/22/606854122.db2.gz FXSJIPUSGPHNND-AWEZNQCLSA-N 1 0 394.298 2.856 20 0 GFADRO Cc1nc([C@@H]2CCC[N@H+](C[C@@H](O)c3ccc(-c4nn[nH]n4)cc3)C2)sc1C ZINC000822436825 606860009 /nfs/dbraw/zinc/86/00/09/606860009.db2.gz ROOBREHEZQBNAC-IAGOWNOFSA-N 1 0 384.509 2.853 20 0 GFADRO c1coc(C[N@H+](CCCOc2cccc(-c3nn[nH]n3)c2)C[C@H]2CCCO2)c1 ZINC000823761995 606888765 /nfs/dbraw/zinc/88/87/65/606888765.db2.gz DDQLBJGKCRVJJO-LJQANCHMSA-N 1 0 383.452 2.910 20 0 GFADRO C[N@H+](C[C@H](O)c1ccc(-c2nn[nH]n2)cc1)C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000821595223 606891607 /nfs/dbraw/zinc/89/16/07/606891607.db2.gz PRZZJDQAMIBUPF-ACRUOGEOSA-N 1 0 393.491 3.000 20 0 GFADRO Cc1cnn(CC2CC[NH+](CCCOc3cccc(-c4nn[nH]n4)c3)CC2)c1 ZINC000822403070 606895525 /nfs/dbraw/zinc/89/55/25/606895525.db2.gz KBCGJDUDFWXZRU-UHFFFAOYSA-N 1 0 381.484 2.553 20 0 GFADRO CCc1nnc(NCc2ccc(C[NH+]3CCCC3)cc2)c(-c2nn[nH]n2)c1CC ZINC000821542500 606917811 /nfs/dbraw/zinc/91/78/11/606917811.db2.gz UEBVQAKZRKQMRY-UHFFFAOYSA-N 1 0 392.511 2.989 20 0 GFADRO Cc1nc2sccn2c1C[N@H+](C)CCCOc1cccc(-c2nn[nH]n2)c1 ZINC000822467069 606930219 /nfs/dbraw/zinc/93/02/19/606930219.db2.gz HAQCMUOVFUPCIY-UHFFFAOYSA-N 1 0 383.481 2.785 20 0 GFADRO CCc1nnc(N2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)c(-c2nn[nH]n2)c1CC ZINC000821522187 606935594 /nfs/dbraw/zinc/93/55/94/606935594.db2.gz KEXFZHKNPUTEGW-HZPDHXFCSA-N 1 0 398.559 2.872 20 0 GFADRO CCC[C@@H]([NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1ccc(F)cc1F ZINC000821022994 606952051 /nfs/dbraw/zinc/95/20/51/606952051.db2.gz VBXMUYHXJDDNKV-MEDUHNTESA-N 1 0 388.426 2.514 20 0 GFADRO O=C(Nc1ccc(O)cc1)C1CC[NH+](Cc2ccc(F)c(-c3nn[nH]n3)c2)CC1 ZINC000823350477 606967355 /nfs/dbraw/zinc/96/73/55/606967355.db2.gz OMNFMFBRYYWFKG-UHFFFAOYSA-N 1 0 396.426 2.562 20 0 GFADRO O=C(OCc1ccc(F)c(-c2nn[nH]n2)c1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000823421511 607000864 /nfs/dbraw/zinc/00/08/64/607000864.db2.gz AXZYZEOTMKOUHZ-QGZVFWFLSA-N 1 0 395.438 2.961 20 0 GFADRO C[C@H](CC[NH2+]Cc1cccc(OCc2cccc(-c3nn[nH]n3)c2)c1)[S@@](C)=O ZINC000820243003 607009315 /nfs/dbraw/zinc/00/93/15/607009315.db2.gz SUBXXZLBTGUUSJ-WQIZZMQYSA-N 1 0 399.520 2.692 20 0 GFADRO C[C@@H]([NH2+][C@H](C)c1ccc(-c2nn[nH]n2)cc1)c1ccc(NS(C)(=O)=O)cc1 ZINC000820412917 607014080 /nfs/dbraw/zinc/01/40/80/607014080.db2.gz NEEVZILHOMUSIW-CHWSQXEVSA-N 1 0 386.481 2.650 20 0 GFADRO Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)n1C[NH+]1CCC(OC(C)(C)C)CC1 ZINC000822505733 607025872 /nfs/dbraw/zinc/02/58/72/607025872.db2.gz TWCDHSFPKPVTKD-UHFFFAOYSA-N 1 0 396.499 2.671 20 0 GFADRO C[C@H]([NH2+]C1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1)c1ccc2c(c1)CCO2 ZINC000820409901 607045914 /nfs/dbraw/zinc/04/59/14/607045914.db2.gz BVHCMNDDJCXCSB-AWEZNQCLSA-N 1 0 391.479 2.516 20 0 GFADRO Cc1nc(C)c([C@H](C)[NH2+]C2CCN(c3ccc(-c4nn[nH]n4)cn3)CC2)s1 ZINC000822427075 607046853 /nfs/dbraw/zinc/04/68/53/607046853.db2.gz BZVNRHNXGXBDQB-LBPRGKRZSA-N 1 0 384.513 2.655 20 0 GFADRO COCCOCC[N@H+](Cc1ccccc1)Cc1cc(F)ccc1-c1nn[nH]n1 ZINC000821692861 607087324 /nfs/dbraw/zinc/08/73/24/607087324.db2.gz GINMVEJZDOUOCY-UHFFFAOYSA-N 1 0 385.443 2.671 20 0 GFADRO C[NH+](C)C[C@@H](NC(=O)Nc1ccc(-c2nn[nH]n2)cc1Cl)c1ccccc1 ZINC000821583507 607195785 /nfs/dbraw/zinc/19/57/85/607195785.db2.gz XYYKWULTKWXCRT-MRXNPFEDSA-N 1 0 385.859 2.945 20 0 GFADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1ccc(-c2nn[nH]n2)cc1Cl ZINC000821255138 607197217 /nfs/dbraw/zinc/19/72/17/607197217.db2.gz VUCIPYRISMSGCB-OLZOCXBDSA-N 1 0 375.864 2.611 20 0 GFADRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N(Cc1ccc(-c2nn[nH]n2)cc1)C1CC1 ZINC000824262021 607781967 /nfs/dbraw/zinc/78/19/67/607781967.db2.gz TZBPLENDAHWYPX-LJQANCHMSA-N 1 0 397.527 2.661 20 0 GFADRO CCc1ccc([C@H](C)[NH2+]CCS(=O)(=O)c2cccc(-c3nn[nH]n3)c2)cc1 ZINC000825705221 607814420 /nfs/dbraw/zinc/81/44/20/607814420.db2.gz ZCPRDHYCFQAGNP-AWEZNQCLSA-N 1 0 385.493 2.554 20 0 GFADRO CCC(CC)[N@H+](CCS(=O)(=O)c1cccc(-c2nn[nH]n2)c1)CC(C)C ZINC000825107587 607828806 /nfs/dbraw/zinc/82/88/06/607828806.db2.gz RBXJAVRZYMLPEM-UHFFFAOYSA-N 1 0 379.530 2.787 20 0 GFADRO CCC[C@H](C)[C@H]1CCC[N@@H+]1CCS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000825234224 607829658 /nfs/dbraw/zinc/82/96/58/607829658.db2.gz XOEFVTLOBBKKGB-WMLDXEAASA-N 1 0 377.514 2.541 20 0 GFADRO FC(F)Oc1cc(-c2nn[nH]n2)ccc1C[N@@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000826369875 607859341 /nfs/dbraw/zinc/85/93/41/607859341.db2.gz UMTROUYVGIVGGE-CQSZACIVSA-N 1 0 379.411 2.717 20 0 GFADRO CCC[C@H](C(=O)Nc1ncc(Cc2ccc(-c3nn[nH]n3)cc2)s1)[NH+](C)C ZINC000825224734 607878509 /nfs/dbraw/zinc/87/85/09/607878509.db2.gz CHLTYXPHZOPMRO-OAHLLOKOSA-N 1 0 385.497 2.583 20 0 GFADRO C[NH+](C)CCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)[C@@H]1CCCC(C)(C)C1 ZINC000825866284 607882697 /nfs/dbraw/zinc/88/26/97/607882697.db2.gz UWEOIEGMGMQRPI-GOSISDBHSA-N 1 0 384.528 2.973 20 0 GFADRO Cc1cccc2c1ncc(-c1nn[nH]n1)c2N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000826304313 607903887 /nfs/dbraw/zinc/90/38/87/607903887.db2.gz GPGVKAGFCAWTSV-MRXNPFEDSA-N 1 0 377.496 2.891 20 0 GFADRO O[C@@H]1C[C@@H](c2ccc(F)cc2)[N@H+](CCCOc2cccc(-c3nn[nH]n3)c2)C1 ZINC000826505928 607943418 /nfs/dbraw/zinc/94/34/18/607943418.db2.gz ILSDOWGDCNJRDU-MJGOQNOKSA-N 1 0 383.427 2.583 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1c(Cl)cc(-c2nn[nH]n2)cc1Cl ZINC000826431953 607964234 /nfs/dbraw/zinc/96/42/34/607964234.db2.gz OOOKBOQCBVMCKH-CHWSQXEVSA-N 1 0 381.267 2.530 20 0 GFADRO Cc1cc(C[NH+](C)C)cc(NC(=O)CSc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000826266244 608000006 /nfs/dbraw/zinc/00/00/06/608000006.db2.gz IHPLJLVOBLRLCI-UHFFFAOYSA-N 1 0 382.493 2.968 20 0 GFADRO Brc1cc(-c2nn[nH]n2)ccc1N1CCC(C[NH+]2CCCC2)CC1 ZINC000823827131 608047641 /nfs/dbraw/zinc/04/76/41/608047641.db2.gz VAOHKKLBBXRYHL-UHFFFAOYSA-N 1 0 391.317 2.941 20 0 GFADRO COc1ccc(C[C@@H](C)C[NH2+]Cc2ccc(OC)c(-c3nn[nH]n3)c2)cc1OC ZINC000826191699 608101904 /nfs/dbraw/zinc/10/19/04/608101904.db2.gz NFONWPZYTZHSKX-CQSZACIVSA-N 1 0 397.479 2.861 20 0 GFADRO Cc1ccc([C@H]2CC[N@@H+]([C@@H]3CCN(c4ccc(-c5nn[nH]n5)cc4)C3=O)C2)cc1 ZINC000826285774 608127627 /nfs/dbraw/zinc/12/76/27/608127627.db2.gz JNZBJRQLNUVTLR-AZUAARDMSA-N 1 0 388.475 2.770 20 0 GFADRO Cc1cccc([C@@H]2CC[N@@H+]([C@@H]3CCN(c4ccc(-c5nn[nH]n5)cc4)C3=O)C2)c1 ZINC000826297847 608128040 /nfs/dbraw/zinc/12/80/40/608128040.db2.gz VCEJFCOJLYHCHO-UYAOXDASSA-N 1 0 388.475 2.770 20 0 GFADRO Cc1cccc([C@H]2CC[N@@H+]([C@H]3CCN(c4sccc4-c4nn[nH]n4)C3=O)C2)c1 ZINC000826297947 608128051 /nfs/dbraw/zinc/12/80/51/608128051.db2.gz XRVSDDBUFMBNFS-RDJZCZTQSA-N 1 0 394.504 2.831 20 0 GFADRO Cc1cccc([C@H]2CC[N@H+](CCC(=O)Nc3ccc(-c4nn[nH]n4)cc3)C2)c1 ZINC000826297954 608128063 /nfs/dbraw/zinc/12/80/63/608128063.db2.gz XTWDVXYJCVVEHY-SFHVURJKSA-N 1 0 376.464 2.993 20 0 GFADRO CC[N@H+](CCc1ccccc1)[C@@H](C)C(=O)Nc1oc(C)c(C)c1-c1nn[nH]n1 ZINC000825424544 608153152 /nfs/dbraw/zinc/15/31/52/608153152.db2.gz JZYCAQUFWSPIKX-AWEZNQCLSA-N 1 0 382.468 2.968 20 0 GFADRO O=C1OCC[C@@H]2C[N@H+](Cc3ccc(-c4ccccc4-c4nn[nH]n4)cc3)CCN12 ZINC000826483414 608168819 /nfs/dbraw/zinc/16/88/19/608168819.db2.gz MQQZMNWZMOTDTI-QGZVFWFLSA-N 1 0 390.447 2.560 20 0 GFADRO C[C@H](C(=O)Nc1ccccc1-c1nn[nH]n1)[NH+]1CCC(Cc2cccnc2)CC1 ZINC000824045395 608208118 /nfs/dbraw/zinc/20/81/18/608208118.db2.gz LYRPDPJWAVEVES-OAHLLOKOSA-N 1 0 391.479 2.543 20 0 GFADRO CN1CCO[C@@H]([C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)c2ccc(Cl)cc2)C1 ZINC000826045577 608243133 /nfs/dbraw/zinc/24/31/33/608243133.db2.gz ZOTMYJGWRRQFNJ-MOPGFXCFSA-N 1 0 398.898 2.682 20 0 GFADRO COCC[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)C[C@H](O)c1ccc(Cl)cc1 ZINC000826158943 608259103 /nfs/dbraw/zinc/25/91/03/608259103.db2.gz JXRDLGVRYMUZLU-SFHVURJKSA-N 1 0 387.871 2.702 20 0 GFADRO COCC[C@@H](Cc1cccc(F)c1)[NH2+]Cc1ccc(OC)c(-c2nn[nH]n2)c1 ZINC000826154749 608285804 /nfs/dbraw/zinc/28/58/04/608285804.db2.gz XBLNFWZMSJHUKR-KRWDZBQOSA-N 1 0 385.443 2.752 20 0 GFADRO CCC[C@@H]1CN(c2c(-c3nn[nH]n3)cnc3c(C)cccc32)CC[N@@H+]1CCOC ZINC000825259581 608303923 /nfs/dbraw/zinc/30/39/23/608303923.db2.gz JKYYMLMBIAAVCP-MRXNPFEDSA-N 1 0 395.511 2.660 20 0 GFADRO C[C@H]([NH2+]Cc1cnc2ccc(-c3nn[nH]n3)cn12)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000824627259 608307811 /nfs/dbraw/zinc/30/78/11/608307811.db2.gz VMHHJRKHBNMSMG-WTOJCKNJSA-N 1 0 375.436 2.557 20 0 GFADRO O[C@]1(Cc2cccc(Cl)c2)CC[N@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC000826505955 608379669 /nfs/dbraw/zinc/37/96/69/608379669.db2.gz JCGBQIXHAAHKJS-IBGZPJMESA-N 1 0 387.846 2.839 20 0 GFADRO CCOc1ccc([C@H](C)[NH2+]Cc2cccc(C(=O)OC)c2-c2nn[nH]n2)cc1 ZINC000825631476 608430328 /nfs/dbraw/zinc/43/03/28/608430328.db2.gz BHCPBNFXECFDNG-ZDUSSCGKSA-N 1 0 381.436 2.903 20 0 GFADRO CC(C)Oc1ccc([C@@H](C)[NH2+]C[C@@H](O)COc2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000824323911 608437959 /nfs/dbraw/zinc/43/79/59/608437959.db2.gz DAAYYSQGURCZHZ-CRAIPNDOSA-N 1 0 397.479 2.744 20 0 GFADRO COc1cc([C@H](C)[NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)cc(OC)c1OC ZINC000826177512 608449824 /nfs/dbraw/zinc/44/98/24/608449824.db2.gz LJKFILWBQBMTPV-NSHDSACASA-N 1 0 387.415 2.882 20 0 GFADRO C[C@@H]([NH2+]CCOc1ccc(-c2nn[nH]n2)cc1)c1ccc(NC(=O)C2CC2)cc1 ZINC000824600365 608457889 /nfs/dbraw/zinc/45/78/89/608457889.db2.gz ZFUSKSRTGKLZIZ-CQSZACIVSA-N 1 0 392.463 2.945 20 0 GFADRO O[C@@H](COCc1ccccc1)C[N@H+]1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826503907 608464641 /nfs/dbraw/zinc/46/46/41/608464641.db2.gz JHDKBCFJORBAJI-OAQYLSRUSA-N 1 0 391.475 2.534 20 0 GFADRO Cc1nn(C)c2ncc(C[N@H+]3CC=C(c4ccc(-c5nn[nH]n5)cc4)CC3)cc12 ZINC000826334152 608467218 /nfs/dbraw/zinc/46/72/18/608467218.db2.gz JXBKUUSILCGNQG-UHFFFAOYSA-N 1 0 386.463 2.746 20 0 GFADRO COc1ccc([C@H](C)[NH2+]CCOc2ccc(-c3nn[nH]n3)cc2OC)cc1OC ZINC000826187988 608472182 /nfs/dbraw/zinc/47/21/82/608472182.db2.gz KEJXIXVSPICXBL-ZDUSSCGKSA-N 1 0 399.451 2.622 20 0 GFADRO C[C@H]([NH2+]CCOc1cccc(-c2nn[nH]n2)c1)c1ccc(N2CCOC2=O)cc1 ZINC000824599999 608474470 /nfs/dbraw/zinc/47/44/70/608474470.db2.gz VPWIDWZMJYFPQH-AWEZNQCLSA-N 1 0 394.435 2.553 20 0 GFADRO C[C@H]([NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)c1cccc(N2CCOC2=O)c1 ZINC000824613935 608474563 /nfs/dbraw/zinc/47/45/63/608474563.db2.gz YSGCSKQYVYGFIL-LBPRGKRZSA-N 1 0 382.399 2.813 20 0 GFADRO C[C@@H]([NH2+]CCS(=O)(=O)c1ccc(Cl)cc1)c1cccc(-c2nn[nH]n2)c1 ZINC000824599435 608480806 /nfs/dbraw/zinc/48/08/06/608480806.db2.gz ORRXTZMJQBVECF-GFCCVEGCSA-N 1 0 391.884 2.645 20 0 GFADRO C[C@H]([NH2+]CCCCN1C(=O)c2ccccc2C1=O)c1cccc(-c2nn[nH]n2)c1 ZINC000824586269 608487597 /nfs/dbraw/zinc/48/75/97/608487597.db2.gz XGLCGSIVNSBVQL-AWEZNQCLSA-N 1 0 390.447 2.594 20 0 GFADRO COCCSc1ccc([C@H](C)[NH2+]C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000826163331 608495674 /nfs/dbraw/zinc/49/56/74/608495674.db2.gz PIMZWEFMJNFQCF-IFXJQAMLSA-N 1 0 399.520 2.989 20 0 GFADRO COc1ccc(CN2CCC[N@H+](Cc3cc(-c4nn[nH]n4)cs3)CC2)cc1 ZINC000826194176 608496611 /nfs/dbraw/zinc/49/66/11/608496611.db2.gz DDRVEKNNNZFJJG-UHFFFAOYSA-N 1 0 384.509 2.645 20 0 GFADRO C[C@@H]([NH2+][C@@H]1CCCc2cc(-c3nn[nH]n3)ccc21)c1ccc(S(C)(=O)=O)cc1 ZINC000824548579 608505414 /nfs/dbraw/zinc/50/54/14/608505414.db2.gz XYADHWGMYITKMK-BFUOFWGJSA-N 1 0 397.504 2.998 20 0 GFADRO c1ccc2c(c1)OCC[C@H]2C[NH+]1CCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000826524057 608516280 /nfs/dbraw/zinc/51/62/80/608516280.db2.gz HQMOZQZCDQPKRZ-INIZCTEOSA-N 1 0 376.464 2.555 20 0 GFADRO Cc1ccc(OC[C@@H](O)C[NH2+]C2(c3cccc(-c4nn[nH]n4)c3)CC2)c(C)c1 ZINC000826291959 608533927 /nfs/dbraw/zinc/53/39/27/608533927.db2.gz CKQWYBNZTVBZQJ-SFHVURJKSA-N 1 0 379.464 2.502 20 0 GFADRO COC[C@H]([NH2+]Cc1ccnc(-c2nn[nH]n2)c1)c1cccc(C(F)(F)F)c1 ZINC000826150430 608535219 /nfs/dbraw/zinc/53/52/19/608535219.db2.gz DQTMYKMNIRLREY-HNNXBMFYSA-N 1 0 378.358 2.758 20 0 GFADRO CC[C@H]1Oc2cc([C@@H](C)[NH2+]Cc3cccc(-c4nn[nH]n4)c3F)ccc2NC1=O ZINC000825220399 608538337 /nfs/dbraw/zinc/53/83/37/608538337.db2.gz SMCXSJXMVYIVOL-BDJLRTHQSA-N 1 0 396.426 2.966 20 0 GFADRO COc1ccc(-c2nn[nH]n2)cc1C[NH2+][C@@H](C)c1ccc(-n2cccn2)cc1 ZINC000826184205 608550956 /nfs/dbraw/zinc/55/09/56/608550956.db2.gz ODAZWRAQADFSIH-AWEZNQCLSA-N 1 0 375.436 2.912 20 0 GFADRO COc1cccc(C2([NH2+]CCOc3ccc(-c4nn[nH]n4)cc3OC)CC2)c1 ZINC000826215712 608551265 /nfs/dbraw/zinc/55/12/65/608551265.db2.gz XAHPZDPALYYPDV-UHFFFAOYSA-N 1 0 381.436 2.542 20 0 GFADRO c1cc(C2([NH2+]CCCOc3ccc(-c4nn[nH]n4)cc3)CC2)cc2c1OCO2 ZINC000826514639 608556424 /nfs/dbraw/zinc/55/64/24/608556424.db2.gz XOZLMANEGGKQNE-UHFFFAOYSA-N 1 0 379.420 2.643 20 0 GFADRO COCc1cccc(C[NH2+]C2CCC(Oc3ccc(-c4nn[nH]n4)cn3)CC2)c1 ZINC000826164457 608570096 /nfs/dbraw/zinc/57/00/96/608570096.db2.gz AXGXCEIFCFXFEI-UHFFFAOYSA-N 1 0 394.479 2.888 20 0 GFADRO C[C@@H](CCc1ccccc1)C[NH+]1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1 ZINC000824406544 608580105 /nfs/dbraw/zinc/58/01/05/608580105.db2.gz MOIFDCVNIKGKFM-KRWDZBQOSA-N 1 0 377.496 2.653 20 0 GFADRO c1cn2c(cccc2C[NH+]2CCC(Oc3cccc(-c4nn[nH]n4)c3)CC2)n1 ZINC000826517777 608582183 /nfs/dbraw/zinc/58/21/83/608582183.db2.gz OIPHVPCCMWDAES-UHFFFAOYSA-N 1 0 375.436 2.558 20 0 GFADRO C[NH+]1CCC2(CCCN2C(=O)CCCCOc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000826029840 608594992 /nfs/dbraw/zinc/59/49/92/608594992.db2.gz XTVCCSFIYAWOSU-UHFFFAOYSA-N 1 0 398.511 2.503 20 0 GFADRO O=C(NC[C@H]1CCCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)s1)c1ccccc1 ZINC000826434493 608661240 /nfs/dbraw/zinc/66/12/40/608661240.db2.gz OJJCLHIJCRQMSI-OAHLLOKOSA-N 1 0 382.493 2.713 20 0 GFADRO O=C(Nc1cccc(F)c1)C1CC[NH+](Cc2ccc(-c3nn[nH]n3)s2)CC1 ZINC000826456766 608665196 /nfs/dbraw/zinc/66/51/96/608665196.db2.gz WFDQUGTUHYMTIU-UHFFFAOYSA-N 1 0 386.456 2.918 20 0 GFADRO C[C@H](CN1CCOCC1)[N@H+](Cc1ccc(-c2nn[nH]n2)s1)Cc1ccccc1 ZINC000824419820 608676723 /nfs/dbraw/zinc/67/67/23/608676723.db2.gz CCOCEEBYADAILK-MRXNPFEDSA-N 1 0 398.536 2.651 20 0 GFADRO C[NH+](C)C[C@H]1CCN(Cc2cccc(OCc3cccc(-c4nn[nH]n4)c3)c2)C1 ZINC000825860884 608698724 /nfs/dbraw/zinc/69/87/24/608698724.db2.gz ZXZZEUUDVIVNKP-LJQANCHMSA-N 1 0 392.507 2.829 20 0 GFADRO Fc1ccc(C[C@H]2CC[N@H+](Cc3cnc4ccc(-c5nn[nH]n5)cn34)C2)cc1 ZINC000826373886 608704816 /nfs/dbraw/zinc/70/48/16/608704816.db2.gz CVXZMGMBCUGMQC-OAHLLOKOSA-N 1 0 377.427 2.718 20 0 GFADRO c1nc2ccc(-c3nn[nH]n3)cn2c1C[N@H+]1CC[C@@H](COCc2ccccc2)C1 ZINC000826521806 608729971 /nfs/dbraw/zinc/72/99/71/608729971.db2.gz ZFDCXNIDXITIFL-QGZVFWFLSA-N 1 0 389.463 2.553 20 0 GFADRO c1cc(-c2nnn[n-]2)oc1C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000826521165 608747140 /nfs/dbraw/zinc/74/71/40/608747140.db2.gz CDFVFHWULFIYBZ-UHFFFAOYSA-N 1 0 378.480 2.948 20 0 GFADRO O=C(Cc1ccc(-c2nn[nH]n2)cc1)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000826422135 608765373 /nfs/dbraw/zinc/76/53/73/608765373.db2.gz NNHAWJDQGUGLEE-UHFFFAOYSA-N 1 0 376.464 2.686 20 0 GFADRO C[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)C[N@@H+]1Cc1cc(-c2nn[nH]n2)cs1 ZINC000824883869 608845748 /nfs/dbraw/zinc/84/57/48/608845748.db2.gz JQVCQSITAWJVFY-NEPJUHHUSA-N 1 0 378.502 2.663 20 0 GFADRO C[C@H]([NH2+]CCNC(=O)c1ccc(Cl)cc1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824598355 609138405 /nfs/dbraw/zinc/13/84/05/609138405.db2.gz DYXKLZAHVGANMM-NSHDSACASA-N 1 0 388.834 2.740 20 0 GFADRO O[C@H](COc1ccc(-c2nn[nH]n2)cc1)C[N@@H+]1CCC[C@H]1/C=C/c1ccccc1 ZINC000826504258 609150770 /nfs/dbraw/zinc/15/07/70/609150770.db2.gz RFTDUIDGMYBTKF-BNLMJFGMSA-N 1 0 391.475 2.784 20 0 GFADRO C[C@@H]([NH2+][C@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O)c1ccnc(Cl)c1 ZINC000824546066 609168993 /nfs/dbraw/zinc/16/89/93/609168993.db2.gz GQJOMWHXAXXMEL-WBMJQRKESA-N 1 0 397.870 2.761 20 0 GFADRO O=C1[C@@H]([NH2+]Cc2cncc3ccccc32)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826477085 609176834 /nfs/dbraw/zinc/17/68/34/609176834.db2.gz VKVMZLNDJHKAKP-FQEVSTJZSA-N 1 0 399.458 2.700 20 0 GFADRO Cc1cc(N2CCC[C@H]([NH2+][C@H](C)c3ccc(-c4nn[nH]n4)c(F)c3)C2)nc(C)n1 ZINC000826269521 609232972 /nfs/dbraw/zinc/23/29/72/609232972.db2.gz ORGWPOWEPHISPF-CJNGLKHVSA-N 1 0 396.474 2.732 20 0 GFADRO C[C@@H](CC(=O)Nc1cccnc1Cl)[NH2+]C1(c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000824385541 609251107 /nfs/dbraw/zinc/25/11/07/609251107.db2.gz WJBLRTAMJMZGKO-LBPRGKRZSA-N 1 0 397.870 2.911 20 0 GFADRO C[C@H]([NH2+]C[C@H]1COC2(CCC(C)CC2)O1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824919126 609256284 /nfs/dbraw/zinc/25/62/84/609256284.db2.gz RVEFRLNYBYKGTE-RKKLVALLSA-N 1 0 375.448 2.978 20 0 GFADRO C[C@H](NC(=O)c1ccccc1-c1ccccc1-c1nn[nH]n1)C1=CC[N@H+](C)CC1 ZINC000824523254 609285795 /nfs/dbraw/zinc/28/57/95/609285795.db2.gz YTCBYDWYCHSGEQ-HNNXBMFYSA-N 1 0 388.475 2.914 20 0 GFADRO C[C@H](CNC(=O)c1ccc(Cl)c(-c2nn[nH]n2)c1)[N@@H+]1CCc2ccccc2C1 ZINC000824426358 609289817 /nfs/dbraw/zinc/28/98/17/609289817.db2.gz DONUZIXHYBOERH-CYBMUJFWSA-N 1 0 396.882 2.697 20 0 GFADRO NC(=O)[C@H]([NH2+][C@@H]1CC=C(c2ccc(F)cc2)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000826389343 609315195 /nfs/dbraw/zinc/31/51/95/609315195.db2.gz VWNONPJSIJMMTI-RTBURBONSA-N 1 0 392.438 2.758 20 0 GFADRO C[C@@H](NC(=O)c1ccc(Cl)c(-c2nn[nH]n2)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000824521274 609317563 /nfs/dbraw/zinc/31/75/63/609317563.db2.gz JLEVDLPCQWVOCF-OCCSQVGLSA-N 1 0 388.903 2.903 20 0 GFADRO C[C@@H]([NH2+]C1CCN(C(=O)c2ccoc2)CC1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824545662 609325730 /nfs/dbraw/zinc/32/57/30/609325730.db2.gz DNNUVBICDOFOED-GFCCVEGCSA-N 1 0 384.415 2.554 20 0 GFADRO CC[N@@H+]1C[C@H](C)[C@H](NC(=O)c2ccccc2Oc2ccccc2-c2nn[nH]n2)C1 ZINC000825443481 609327052 /nfs/dbraw/zinc/32/70/52/609327052.db2.gz CNEXWCNJJZQWEX-WMLDXEAASA-N 1 0 392.463 2.729 20 0 GFADRO C[C@H]([NH2+][C@H](CO)Cc1c[nH]c2ccccc12)c1ccc(-c2nn[nH]n2)cc1F ZINC000824529067 609335333 /nfs/dbraw/zinc/33/53/33/609335333.db2.gz DHHHZDOPGZCLRV-WFASDCNBSA-N 1 0 380.427 2.741 20 0 GFADRO Cn1cc(C[NH2+][C@H]2CCc3ccccc3C2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826360838 609335820 /nfs/dbraw/zinc/33/58/20/609335820.db2.gz AGSOUXYIBVYKEI-FQEVSTJZSA-N 1 0 385.475 2.914 20 0 GFADRO CC[C@@H]1CN(C(=O)C2CC2)CC[C@@H]1[NH2+][C@H](C)c1ccc(-c2nn[nH]n2)cc1F ZINC000825204948 609339018 /nfs/dbraw/zinc/33/90/18/609339018.db2.gz UKPHLTFZXASYDE-VFVRVIDISA-N 1 0 386.475 2.694 20 0 GFADRO CCOCCC1(C[NH2+]Cc2cn(C)nc2-c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000825589842 609342719 /nfs/dbraw/zinc/34/27/19/609342719.db2.gz KIXIAYHJFBHMQK-UHFFFAOYSA-N 1 0 381.484 2.564 20 0 GFADRO C[C@@H](CNC(=O)OC(C)(C)C)C[NH2+][C@@H](C)c1ccc(-c2nn[nH]n2)cc1F ZINC000824420372 609343512 /nfs/dbraw/zinc/34/35/12/609343512.db2.gz IRLKIISIKYONPP-NEPJUHHUSA-N 1 0 378.452 2.817 20 0 GFADRO Brc1cc(-c2nn[nH]n2)ccc1C[N@@H+]1CCC[C@@H]2COCC[C@H]21 ZINC000823821771 609363099 /nfs/dbraw/zinc/36/30/99/609363099.db2.gz ZSIVIMVFBVTEPD-UKRRQHHQSA-N 1 0 378.274 2.630 20 0 GFADRO CCC1(CO)CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2Br)CC1 ZINC000825171235 609366011 /nfs/dbraw/zinc/36/60/11/609366011.db2.gz NSNSGKFRVAVDAW-UHFFFAOYSA-N 1 0 380.290 2.614 20 0 GFADRO C[NH+](C)[C@H]1CCCN(C(=O)c2ccccc2Oc2ccccc2-c2nn[nH]n2)C1 ZINC000825855858 609378516 /nfs/dbraw/zinc/37/85/16/609378516.db2.gz LBCMTDWAOHPYEW-HNNXBMFYSA-N 1 0 392.463 2.825 20 0 GFADRO C[NH+](C)[C@@H]1CCCN(C(=O)c2ccccc2Oc2ccccc2-c2nn[nH]n2)C1 ZINC000825855859 609378898 /nfs/dbraw/zinc/37/88/98/609378898.db2.gz LBCMTDWAOHPYEW-OAHLLOKOSA-N 1 0 392.463 2.825 20 0 GFADRO O=C1[C@@H]([NH2+]CCc2cccc(Cl)c2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476163 609413480 /nfs/dbraw/zinc/41/34/80/609413480.db2.gz BTXCXJNXPXNOGW-SFHVURJKSA-N 1 0 396.882 2.848 20 0 GFADRO CC(=O)c1ccc(-c2nn[nH]n2)cc1N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000824019793 609420171 /nfs/dbraw/zinc/42/01/71/609420171.db2.gz OTTLHMZTKSBETK-UHFFFAOYSA-N 1 0 394.454 2.921 20 0 GFADRO C[C@@H](NC(=O)c1ccc(-c2nn[nH]n2)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000824513958 609456104 /nfs/dbraw/zinc/45/61/04/609456104.db2.gz KRXYAWNANULUHG-BEFAXECRSA-N 1 0 376.464 2.507 20 0 GFADRO COc1ccc([C@H](C[NH+]2CCCC2)NC(=O)c2cc(-c3nn[nH]n3)cs2)cc1 ZINC000826189172 609468710 /nfs/dbraw/zinc/46/87/10/609468710.db2.gz OWWJWHZYPVCRFD-INIZCTEOSA-N 1 0 398.492 2.504 20 0 GFADRO COc1cccc([C@@H](CNc2nccc(C)c2-c2nn[nH]n2)[NH+]2CCCC2)c1 ZINC000826214320 609521964 /nfs/dbraw/zinc/52/19/64/609521964.db2.gz HYVRSOJYAZYVIU-QGZVFWFLSA-N 1 0 379.468 2.828 20 0 GFADRO Cc1c(Cl)cnc(NC2CC[NH+](Cc3ccccn3)CC2)c1-c1nn[nH]n1 ZINC000826239160 609535928 /nfs/dbraw/zinc/53/59/28/609535928.db2.gz ZBHLXWXFURUDIL-UHFFFAOYSA-N 1 0 384.875 2.695 20 0 GFADRO Cc1c(Cl)cnc(N2CCC(C[NH+]3CCCCC3)CC2)c1-c1nn[nH]n1 ZINC000826237517 609541478 /nfs/dbraw/zinc/54/14/78/609541478.db2.gz CFMHHMMVHFUYHT-UHFFFAOYSA-N 1 0 375.908 2.926 20 0 GFADRO O=C1[C@H]([NH2+]Cc2cccc3cc[nH]c32)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476757 609600996 /nfs/dbraw/zinc/60/09/96/609600996.db2.gz OJFRJQCPWQQENG-GOSISDBHSA-N 1 0 387.447 2.633 20 0 GFADRO CC(C)c1ncc(C[NH2+][C@@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)s1 ZINC000824364410 609601023 /nfs/dbraw/zinc/60/10/23/609601023.db2.gz FKULRANUQOLTSI-MRXNPFEDSA-N 1 0 397.508 2.732 20 0 GFADRO C[NH+](C)C1CCC(NC(=O)NC[C@H](O)c2ccccc2Br)CC1 ZINC000817177586 660185028 /nfs/dbraw/zinc/18/50/28/660185028.db2.gz GWIJINMHQPZXSB-ZUEPYMLJSA-N 1 0 384.318 2.655 20 0 GFADRO COC[C@@](C)([NH3+])CNc1ccc2nnc(-c3cc(Cl)cc(Cl)c3)n2n1 ZINC000510664568 650516644 /nfs/dbraw/zinc/51/66/44/650516644.db2.gz HXVBOUCZYUUSLI-INIZCTEOSA-N 1 0 381.267 2.874 20 0 GFADRO Cc1cc(NC(=O)CC[N@H+](CCO)Cc2ccc(Br)s2)no1 ZINC000485110500 650693124 /nfs/dbraw/zinc/69/31/24/650693124.db2.gz SMALFBKVOPOSHZ-UHFFFAOYSA-N 1 0 388.287 2.630 20 0 GFADRO CCc1[nH]nc(NC(=O)[C@H]2CCC[N@H+](Cc3cccnc3)C2)c1Br ZINC000531119779 650735162 /nfs/dbraw/zinc/73/51/62/650735162.db2.gz ZEQUFJXLAJUGFM-ZDUSSCGKSA-N 1 0 392.301 2.980 20 0 GFADRO CC(C)S(=O)(=O)CC[N@@H+]1C[C@H](CNC(=O)OC(C)(C)C)[C@H](C)C[C@@H]1C ZINC000817293352 660189231 /nfs/dbraw/zinc/18/92/31/660189231.db2.gz PQCHODPKMCWXBH-PMPSAXMXSA-N 1 0 376.563 2.681 20 0 GFADRO C[NH+](C)CCn1ccc(NCc2cn(-c3ccc(Cl)cc3Cl)nn2)n1 ZINC000534452275 650775212 /nfs/dbraw/zinc/77/52/12/650775212.db2.gz IMMCTEMWJQMTED-UHFFFAOYSA-N 1 0 380.283 2.944 20 0 GFADRO COc1cc([C@H](C)N[C@H](C)[C@H]2CCC[NH2+]C2)ccc1S(=O)(=O)C(F)F ZINC000817946591 660212495 /nfs/dbraw/zinc/21/24/95/660212495.db2.gz AEHFENOGIFSADK-SCRDCRAPSA-N 1 0 376.469 2.730 20 0 GFADRO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000818008556 660213373 /nfs/dbraw/zinc/21/33/73/660213373.db2.gz ICFAJMIUEJFWHF-JQWIXIFHSA-N 1 0 393.281 2.921 20 0 GFADRO O=C(c1[nH]nc(-c2ccccc2)c1Br)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000818019023 660213932 /nfs/dbraw/zinc/21/39/32/660213932.db2.gz ZGYIBLKMMIFCHF-QGZVFWFLSA-N 1 0 375.270 2.807 20 0 GFADRO O=C([C@H]1CCN(c2cc(Cl)ccc2Cl)C1=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000818016877 660213935 /nfs/dbraw/zinc/21/39/35/660213935.db2.gz QKPKLLIPBCJMCU-FZKQIMNGSA-N 1 0 382.291 2.701 20 0 GFADRO CS(=O)(=O)Nc1cccc(C[NH2+]C[C@@H](O)c2ccc(Br)cc2)c1 ZINC000818945808 660236451 /nfs/dbraw/zinc/23/64/51/660236451.db2.gz PQJDZBZLCQDFSH-MRXNPFEDSA-N 1 0 399.310 2.644 20 0 GFADRO O[C@H](C[NH2+]CCc1nnc2n1CCCCC2)c1cccc(Br)c1 ZINC000818946993 660236787 /nfs/dbraw/zinc/23/67/87/660236787.db2.gz ZIFIJNCAHGKJBX-OAHLLOKOSA-N 1 0 379.302 2.633 20 0 GFADRO CN(C)S(=O)(=O)c1ccc(C[NH2+]C[C@H](O)c2ccc(Cl)c(F)c2)cc1 ZINC000818962694 660237894 /nfs/dbraw/zinc/23/78/94/660237894.db2.gz VOTVJXPYGKGSLP-KRWDZBQOSA-N 1 0 386.876 2.553 20 0 GFADRO O=C1[C@@H]([NH2+]C[C@@H](O)c2ccccc2Br)CCN1Cc1ccccc1 ZINC000818984055 660241236 /nfs/dbraw/zinc/24/12/36/660241236.db2.gz VHUJHHMWUXFDLZ-ZWKOTPCHSA-N 1 0 389.293 2.873 20 0 GFADRO CC(C)N1C[C@H]([NH2+]C[C@@](C)(O)c2ccc(Br)cc2Cl)CC1=O ZINC000818996474 660242420 /nfs/dbraw/zinc/24/24/20/660242420.db2.gz RFFXEPMSBJXROV-MLGOLLRUSA-N 1 0 389.721 2.909 20 0 GFADRO O=C(C[NH2+]C[C@H](O)c1cccc(Br)c1)N1CCc2ccccc21 ZINC000818999365 660242660 /nfs/dbraw/zinc/24/26/60/660242660.db2.gz QJPNNKJSHPMGSJ-KRWDZBQOSA-N 1 0 375.266 2.661 20 0 GFADRO O[C@@H](C[NH2+]CCc1ccc(I)s1)c1ccc(F)cn1 ZINC000819005322 660243135 /nfs/dbraw/zinc/24/31/35/660243135.db2.gz MMTJLWMTJLKRHI-LBPRGKRZSA-N 1 0 392.237 2.753 20 0 GFADRO Cc1ccc(Cl)c(OC[C@H](O)C[NH2+]CC[S@](=O)Cc2ccccc2)c1 ZINC000819044434 660244377 /nfs/dbraw/zinc/24/43/77/660244377.db2.gz ZHDXUELVTVKSPD-NSYGIPOTSA-N 1 0 381.925 2.927 20 0 GFADRO CC[C@H]1C[N@H+](C)CCN1C(=O)/C=C/c1cc(Br)c(O)c(OC)c1 ZINC000818972159 660239425 /nfs/dbraw/zinc/23/94/25/660239425.db2.gz STZLOAPFACCIGM-GFUIURDCSA-N 1 0 383.286 2.729 20 0 GFADRO CS(=O)(=O)[C@@H]1CCC[C@@H]([NH2+]C[C@@H](O)c2ccc(F)c(Br)c2)C1 ZINC000819093985 660246150 /nfs/dbraw/zinc/24/61/50/660246150.db2.gz DPTKRWZNIITQDK-LALPHHSUSA-N 1 0 394.306 2.567 20 0 GFADRO CN(C[C@@H](O)C[NH2+]CCc1nc(C(F)(F)F)cs1)C(=O)OC(C)(C)C ZINC000819124126 660247334 /nfs/dbraw/zinc/24/73/34/660247334.db2.gz MQIMSJHFWBDXQX-JTQLQIEISA-N 1 0 383.436 2.522 20 0 GFADRO C[C@](O)(C[NH2+][C@@H]1CC(=O)N(C2CC2)C1)c1ccc(Br)cc1Cl ZINC000819129584 660247360 /nfs/dbraw/zinc/24/73/60/660247360.db2.gz ADBJGJCSXZROGL-BZNIZROVSA-N 1 0 387.705 2.663 20 0 GFADRO C[C@@](O)(C[NH2+][C@@H]1CC(=O)N(C2CC2)C1)c1ccc(Br)cc1Cl ZINC000819129582 660247464 /nfs/dbraw/zinc/24/74/64/660247464.db2.gz ADBJGJCSXZROGL-BDJLRTHQSA-N 1 0 387.705 2.663 20 0 GFADRO COC1(C[NH2+]C[C@@](C)(O)c2ccc(Br)cc2F)CCOCC1 ZINC000819182989 660249309 /nfs/dbraw/zinc/24/93/09/660249309.db2.gz KUVHQSRJDKTCME-OAHLLOKOSA-N 1 0 376.266 2.581 20 0 GFADRO O[C@H](C[NH2+][C@H]1CCN(c2ccccn2)C1)c1ccc(F)c(Br)c1 ZINC000819188936 660249617 /nfs/dbraw/zinc/24/96/17/660249617.db2.gz BMHHMXZCSNZNEB-XJKSGUPXSA-N 1 0 380.261 2.885 20 0 GFADRO CC(C)(C)OC(=O)N1CC(C[NH2+]C[C@@H](O)c2cccc(Br)c2)C1 ZINC000819198868 660249805 /nfs/dbraw/zinc/24/98/05/660249805.db2.gz UWFWTUSNQCREIH-OAHLLOKOSA-N 1 0 385.302 2.939 20 0 GFADRO CN(C)c1nccc(C[NH2+]C[C@](C)(O)c2ccc(Br)cc2Cl)n1 ZINC000819210682 660250318 /nfs/dbraw/zinc/25/03/18/660250318.db2.gz XJLSRNZUAKPTST-INIZCTEOSA-N 1 0 399.720 2.956 20 0 GFADRO C[S@](=O)C1(C[NH2+]C[C@@](C)(O)c2ccc(Br)cc2Cl)CC1 ZINC000819286791 660253836 /nfs/dbraw/zinc/25/38/36/660253836.db2.gz JSBDESSYFZOYGM-XCLFUZPHSA-N 1 0 380.735 2.811 20 0 GFADRO C[C@@H](CCNS(=O)(=O)c1ccccc1)[NH2+]C[C@H](O)c1cccc(Cl)c1 ZINC000819298480 660253935 /nfs/dbraw/zinc/25/39/35/660253935.db2.gz MDVIHEUZBAYHQZ-KSSFIOAISA-N 1 0 382.913 2.720 20 0 GFADRO CN(C[C@H](O)C[NH2+]Cc1ccsc1Br)C(=O)OC(C)(C)C ZINC000819293832 660253956 /nfs/dbraw/zinc/25/39/56/660253956.db2.gz UHOVSESTRQVLOA-LLVKDONJSA-N 1 0 379.320 2.828 20 0 GFADRO O=S1(=O)C[C@@H](C[NH2+]C[C@@H](O)c2ccc(Br)cc2)c2ccccc21 ZINC000819337308 660255525 /nfs/dbraw/zinc/25/55/25/660255525.db2.gz MVKAMAGHEWXLBE-CZUORRHYSA-N 1 0 396.306 2.643 20 0 GFADRO C[C@](O)(C[NH2+]CCCCS(C)(=O)=O)c1ccc(Br)cc1Cl ZINC000819381368 660257514 /nfs/dbraw/zinc/25/75/14/660257514.db2.gz BXDDPDPRAKUWFY-AWEZNQCLSA-N 1 0 398.750 2.724 20 0 GFADRO Cc1nc(SC(F)(F)F)sc1CC(=O)N1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000819525474 660261595 /nfs/dbraw/zinc/26/15/95/660261595.db2.gz GNLSNIOJSKETFK-CQSZACIVSA-N 1 0 397.488 2.521 20 0 GFADRO COc1c(F)cc(Br)cc1S(=O)(=O)N[C@@](C)(C[NH3+])CC(C)C ZINC000842722440 661350920 /nfs/dbraw/zinc/35/09/20/661350920.db2.gz HERDWWLKNVSMDP-CQSZACIVSA-N 1 0 397.310 2.639 20 0 GFADRO COc1cc2nccc(N3CC[NH+](CCCCO)CC3)c2cc1Br ZINC000819919611 660274981 /nfs/dbraw/zinc/27/49/81/660274981.db2.gz PTEKHHRQIZIPFN-UHFFFAOYSA-N 1 0 394.313 2.900 20 0 GFADRO CN(C)S(=O)(=O)c1ccc(COC(=O)C(C)(C)[N@H+](C)C2CCCC2)s1 ZINC000820493956 660295480 /nfs/dbraw/zinc/29/54/80/660295480.db2.gz ZLPAKVGMLNVSCC-UHFFFAOYSA-N 1 0 388.555 2.695 20 0 GFADRO C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1cc(Br)cnc1Br ZINC000820557980 660297272 /nfs/dbraw/zinc/29/72/72/660297272.db2.gz JLCWSGBZQAJPIF-KWQFWETISA-N 1 0 391.107 2.771 20 0 GFADRO CCn1ncc(C(=O)Nc2cc(C)nn2C2CC[NH+](C)CC2)c1Br ZINC000820668650 660302206 /nfs/dbraw/zinc/30/22/06/660302206.db2.gz ANIQZPWCXSFIQO-UHFFFAOYSA-N 1 0 395.305 2.689 20 0 GFADRO CC(C)c1ncc(Br)c(C(=O)N2CC[N@@H+](C3CC3)C[C@@H](C)C2)n1 ZINC000820873774 660309019 /nfs/dbraw/zinc/30/90/19/660309019.db2.gz HHICXMCRYYSOCB-GFCCVEGCSA-N 1 0 381.318 2.919 20 0 GFADRO C[NH+](C)C[C@H]1CN(C(=O)c2csc(Br)n2)c2ccccc2O1 ZINC000820895115 660309649 /nfs/dbraw/zinc/30/96/49/660309649.db2.gz AQXLTISSSKMLLE-JTQLQIEISA-N 1 0 382.283 2.875 20 0 GFADRO O=C(C/C=C/c1ccc(Br)cc1)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000821056934 660314420 /nfs/dbraw/zinc/31/44/20/660314420.db2.gz GKAUQLZAACOUQH-NZURWCHMSA-N 1 0 381.314 2.815 20 0 GFADRO CC(C)[NH2+]C1(CO)CCN(C(=O)c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000821271051 660319829 /nfs/dbraw/zinc/31/98/29/660319829.db2.gz NEAKBHKKVBRSKU-UHFFFAOYSA-N 1 0 379.810 2.719 20 0 GFADRO Cn1cc([C@H]([NH2+]C[C@H](O)c2cccc(Br)c2)C2(CO)CCC2)cn1 ZINC000821288270 660320013 /nfs/dbraw/zinc/32/00/13/660320013.db2.gz PLOKCOCVWYIWBZ-IRXDYDNUSA-N 1 0 394.313 2.710 20 0 GFADRO CC[C@H](CNC(=O)c1cc(Br)n[nH]1)[N@@H+]1CCc2ccccc2C1 ZINC000821497256 660327814 /nfs/dbraw/zinc/32/78/14/660327814.db2.gz WHNHQQFSRULTRO-CQSZACIVSA-N 1 0 377.286 2.739 20 0 GFADRO C[C@@H]1C[N@@H+](CCCNC(=O)[C@H](O)c2ccc(Cl)c(Cl)c2)C[C@H](C)O1 ZINC000822312765 660342869 /nfs/dbraw/zinc/34/28/69/660342869.db2.gz FYHVQXWBYZQJQE-BFQNTYOBSA-N 1 0 375.296 2.642 20 0 GFADRO CCC[NH+]1CCN(c2ccc(NC(=O)[C@H](O)CCSC)cc2Cl)CC1 ZINC000822735248 660353175 /nfs/dbraw/zinc/35/31/75/660353175.db2.gz IAAGYSGRULYSKF-QGZVFWFLSA-N 1 0 385.961 2.925 20 0 GFADRO CO[C@@H](C)c1noc(CN2CCC[N@H+](CC[C@H]3CC3(Cl)Cl)CC2)n1 ZINC000822667997 660351424 /nfs/dbraw/zinc/35/14/24/660351424.db2.gz DSFZBXNVKPCATD-STQMWFEESA-N 1 0 377.316 2.869 20 0 GFADRO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)Nc1cc(Cl)c(N)c(Cl)c1 ZINC000822835597 660355560 /nfs/dbraw/zinc/35/55/60/660355560.db2.gz UYOOQPHYZKMOEW-NSHDSACASA-N 1 0 376.332 2.969 20 0 GFADRO COc1cc(Br)c(Cc2noc(C[C@@H]3CC[NH2+]C3)n2)cc1OC ZINC000822910603 660357881 /nfs/dbraw/zinc/35/78/81/660357881.db2.gz PQLJBCISWIOUAA-JTQLQIEISA-N 1 0 382.258 2.592 20 0 GFADRO [NH3+]CCCCn1cc(-c2nc(-c3cc(F)cc(Br)c3)no2)nn1 ZINC000822925523 660358263 /nfs/dbraw/zinc/35/82/63/660358263.db2.gz CVZXQWQUNARFDW-UHFFFAOYSA-N 1 0 381.209 2.636 20 0 GFADRO COc1cc(Cc2noc([C@@H]3C[C@@H]3[NH3+])n2)cc(Br)c1OC(F)F ZINC000822946745 660358629 /nfs/dbraw/zinc/35/86/29/660358629.db2.gz GTRKMIVOBWDYJM-APPZFPTMSA-N 1 0 390.184 2.848 20 0 GFADRO COc1ccc(Cc2noc([C@H]3CC[NH2+][C@H]3C)n2)c(Br)c1OC ZINC000822946494 660358650 /nfs/dbraw/zinc/35/86/50/660358650.db2.gz FBMPJGQKTAQXOT-ONGXEEELSA-N 1 0 382.258 2.906 20 0 GFADRO [NH3+]CCCCn1cc(-c2nc(Cc3ccc(F)c(Br)c3)no2)nn1 ZINC000822947696 660358692 /nfs/dbraw/zinc/35/86/92/660358692.db2.gz YHJCOGHXYYRIOG-UHFFFAOYSA-N 1 0 395.236 2.559 20 0 GFADRO C[C@H]([NH3+])CCc1nc(Cc2cc(Br)c3c(c2)OCCCO3)no1 ZINC000822947201 660358723 /nfs/dbraw/zinc/35/87/23/660358723.db2.gz QDGGYFURYMQSJT-JTQLQIEISA-N 1 0 382.258 2.864 20 0 GFADRO C[C@H](CNC(=O)c1cc(Br)cc2c1OCCO2)[NH+]1CCCCC1 ZINC000822954099 660358896 /nfs/dbraw/zinc/35/88/96/660358896.db2.gz SXAWDXLBLCAYIJ-GFCCVEGCSA-N 1 0 383.286 2.825 20 0 GFADRO [NH3+][C@@H]1C[C@@H]1c1nc(CC(=O)Nc2nc(-c3ccccc3Cl)cs2)no1 ZINC000823047508 660360624 /nfs/dbraw/zinc/36/06/24/660360624.db2.gz GSHPSJLTUWWUMK-GXSJLCMTSA-N 1 0 375.841 2.842 20 0 GFADRO C[C@H]([NH3+])CCc1nc(Cc2cccc(F)c2I)no1 ZINC000822980757 660359354 /nfs/dbraw/zinc/35/93/54/660359354.db2.gz MUWAFFKSZWCIFM-QMMMGPOBSA-N 1 0 375.185 2.684 20 0 GFADRO C[NH2+]CCc1ccccc1-c1nc(-c2ncc(Br)c(OC)n2)no1 ZINC000823016177 660359910 /nfs/dbraw/zinc/35/99/10/660359910.db2.gz QEHNHMBGDONJSZ-UHFFFAOYSA-N 1 0 390.241 2.727 20 0 GFADRO Cc1cc([C@@H]([NH3+])Cc2nc(-c3cnn(C)c3Br)no2)cc(Cl)n1 ZINC000823098417 660361884 /nfs/dbraw/zinc/36/18/84/660361884.db2.gz CQMNVQXTKCZIBV-JTQLQIEISA-N 1 0 397.664 2.832 20 0 GFADRO [NH3+]CCCCCc1nc(-c2ccc3ncc(I)n3c2)no1 ZINC000823114753 660362239 /nfs/dbraw/zinc/36/22/39/660362239.db2.gz GPEDHGLTCSSVSQ-UHFFFAOYSA-N 1 0 397.220 2.660 20 0 GFADRO C[C@@H](NC(=O)Cc1noc(C[C@H]2CC[NH2+]C2)n1)c1ccc(Cl)cc1Cl ZINC000823128207 660362483 /nfs/dbraw/zinc/36/24/83/660362483.db2.gz FVVFJKVQERNXJB-GHMZBOCLSA-N 1 0 383.279 2.948 20 0 GFADRO C[NH+](C)CCNC(=O)c1ccc(CNC(=O)C[C@]2(C)CC2(Cl)Cl)cc1 ZINC000823152430 660363151 /nfs/dbraw/zinc/36/31/51/660363151.db2.gz RWTMAPYOLZKVOF-QGZVFWFLSA-N 1 0 386.323 2.568 20 0 GFADRO C[C@H]1[NH2+]CC[C@H]1c1nc(COc2ccc(I)cc2)no1 ZINC000823167350 660363833 /nfs/dbraw/zinc/36/38/33/660363833.db2.gz FUTXKTDVBFSQAQ-BXKDBHETSA-N 1 0 385.205 2.719 20 0 GFADRO Brc1ccc(C2(c3noc(C[C@H]4COCC[NH2+]4)n3)CCC2)s1 ZINC000823189536 660364317 /nfs/dbraw/zinc/36/43/17/660364317.db2.gz GMDIDPXGLANEPU-JTQLQIEISA-N 1 0 384.299 2.895 20 0 GFADRO Cc1cc(Cc2noc(-c3cn(CCCC[NH3+])nn3)n2)ccc1Br ZINC000823231559 660365690 /nfs/dbraw/zinc/36/56/90/660365690.db2.gz WZFUZZNQDAPSPH-UHFFFAOYSA-N 1 0 391.273 2.729 20 0 GFADRO C[NH+](C)CCOC1CCN(C(=O)[C@@H](O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000823294035 660367568 /nfs/dbraw/zinc/36/75/68/660367568.db2.gz MEKBXYJIQXCJOD-INIZCTEOSA-N 1 0 375.296 2.596 20 0 GFADRO Cc1cc([C@@H]([NH3+])Cc2nc(-c3ccc(S(C)(=O)=O)s3)no2)cc(Cl)n1 ZINC000823295236 660367713 /nfs/dbraw/zinc/36/77/13/660367713.db2.gz FCRZQIFFGWEDEJ-JTQLQIEISA-N 1 0 398.897 2.801 20 0 GFADRO CN(C(=O)NCC1SCCS1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000823407392 660371353 /nfs/dbraw/zinc/37/13/53/660371353.db2.gz RLEBONGMYHHRKA-UHFFFAOYSA-N 1 0 380.583 2.536 20 0 GFADRO Cn1nc(C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)cc1Br ZINC000823614201 660376587 /nfs/dbraw/zinc/37/65/87/660376587.db2.gz OUEWUGZSVHAGEB-LBPRGKRZSA-N 1 0 383.315 2.811 20 0 GFADRO CCS(=O)(=O)C[C@H](C)[N@H+](C)C[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000823453653 660372471 /nfs/dbraw/zinc/37/24/71/660372471.db2.gz WBUVFSYWSGNWJU-JYJNAYRXSA-N 1 0 376.563 2.777 20 0 GFADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+]CCOC1CCC1 ZINC000823954800 660383195 /nfs/dbraw/zinc/38/31/95/660383195.db2.gz AULLTDCOFHTEGY-GFCCVEGCSA-N 1 0 385.302 2.621 20 0 GFADRO O[C@@H]1c2ccccc2OC[C@@H]1[NH2+]Cc1ccc(I)cc1 ZINC000824410345 660391430 /nfs/dbraw/zinc/39/14/30/660391430.db2.gz ZOLHSORXGMVKII-GOEBONIOSA-N 1 0 381.213 2.875 20 0 GFADRO CC[NH+](CC)[C@@H](CNC(=O)c1cc(Br)n(C)n1)Cc1ccccc1 ZINC000824921358 660405163 /nfs/dbraw/zinc/40/51/63/660405163.db2.gz KMTAJRTYFFPBIJ-OAHLLOKOSA-N 1 0 393.329 2.866 20 0 GFADRO COC(=O)N1CCC([NH2+]C[C@@H](CO)Cc2cccc(Br)c2C)CC1 ZINC000825133655 660412170 /nfs/dbraw/zinc/41/21/70/660412170.db2.gz KCFMOWUBHZLLIF-AWEZNQCLSA-N 1 0 399.329 2.729 20 0 GFADRO Cc1ccc(-n2nc(Br)cc2C(=O)N[C@H]2CC[C@H](C[NH3+])C2)cc1 ZINC000825196333 660414524 /nfs/dbraw/zinc/41/45/24/660414524.db2.gz DGGBJCNDHBLANV-STQMWFEESA-N 1 0 377.286 2.800 20 0 GFADRO O[C@@H](C[NH2+]Cc1cnc(N2CCOCC2)s1)c1ccccc1Br ZINC000825338307 660421248 /nfs/dbraw/zinc/42/12/48/660421248.db2.gz OEGIWVVJWCAVIY-HNNXBMFYSA-N 1 0 398.326 2.565 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+](C2CCCCC2)C1)c1cc(Br)cn2ncnc12 ZINC000825341080 660421548 /nfs/dbraw/zinc/42/15/48/660421548.db2.gz XVTBAOVUDMBUAI-CYBMUJFWSA-N 1 0 392.301 2.629 20 0 GFADRO COC(=O)c1cc(C[NH2+]C[C@H](O)c2ccccc2Br)n(C)c1C ZINC000825343205 660421768 /nfs/dbraw/zinc/42/17/68/660421768.db2.gz JRSSXTJMYUAZIK-INIZCTEOSA-N 1 0 381.270 2.706 20 0 GFADRO C[C@H](CS(=O)(=O)c1ccccc1)[NH2+]C[C@@H](O)c1ccccc1Br ZINC000825342807 660421885 /nfs/dbraw/zinc/42/18/85/660421885.db2.gz HBXLSLPKGCSTPX-CXAGYDPISA-N 1 0 398.322 2.935 20 0 GFADRO O=C(c1c(Br)nc2n1CCC2)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000825665612 660436905 /nfs/dbraw/zinc/43/69/05/660436905.db2.gz UYLDCWMDKHQAPE-CYBMUJFWSA-N 1 0 381.318 2.682 20 0 GFADRO C[NH+](C)CCC[C@H]1CN(C(=O)c2cc(F)cc(Br)c2F)CCO1 ZINC000826693794 660461680 /nfs/dbraw/zinc/46/16/80/660461680.db2.gz CRDBDHNPQWNKKE-LBPRGKRZSA-N 1 0 391.256 2.910 20 0 GFADRO O=C(NC[C@@H]1CCC[N@H+](CC2CC2)C1)c1ccc2c(Br)cnn2c1 ZINC000826751941 660463301 /nfs/dbraw/zinc/46/33/01/660463301.db2.gz VRNDKFMNOMOYHD-AWEZNQCLSA-N 1 0 391.313 2.949 20 0 GFADRO C[C@H]1CN(CC[N@@H+]2CC[C@@]3(C)[C@@H](C2)C3(Br)Br)CCO1 ZINC000852336154 661861299 /nfs/dbraw/zinc/86/12/99/661861299.db2.gz WZQYRAWTPHLNSF-XQQFMLRXSA-N 1 0 396.167 2.535 20 0 GFADRO COc1ccc(CCC(=O)N2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)c(Br)c1 ZINC000827216652 660484800 /nfs/dbraw/zinc/48/48/00/660484800.db2.gz BXCGMXOIFYBLNF-YOEHRIQHSA-N 1 0 381.314 2.943 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc(F)ccc3I)CC[C@@H]21 ZINC000827328189 660489334 /nfs/dbraw/zinc/48/93/34/660489334.db2.gz CULYTUMVOHNLJO-YGRLFVJLSA-N 1 0 388.224 2.597 20 0 GFADRO C[N@@H+]1CC[C@H]2CN(C(=O)c3cc(=O)[nH]c4ccc(Br)cc43)CC[C@@H]21 ZINC000827309938 660488452 /nfs/dbraw/zinc/48/84/52/660488452.db2.gz IYIGTGBXRNJEHX-ZBEGNZNMSA-N 1 0 390.281 2.869 20 0 GFADRO [NH3+][C@@H](CC(=O)NCC1(c2cccc(Br)c2)CCOCC1)C1CC1 ZINC000827429274 660494858 /nfs/dbraw/zinc/49/48/58/660494858.db2.gz COWHWDKXGRINKH-INIZCTEOSA-N 1 0 381.314 2.741 20 0 GFADRO Cc1cccc(C(=O)N2CCC([NH+]3CCN(C)CC3)CC2)c1Br ZINC000827445746 660496036 /nfs/dbraw/zinc/49/60/36/660496036.db2.gz XYKLGMPZUCEKGV-UHFFFAOYSA-N 1 0 380.330 2.610 20 0 GFADRO CC(C)[C@H](C(=O)N1CC[C@@]2(C)[C@@H](C1)C2(Br)Br)[NH+](C)C ZINC000855322581 661984196 /nfs/dbraw/zinc/98/41/96/661984196.db2.gz NERHXPCABVMUIH-WZRBSPASSA-N 1 0 396.167 2.927 20 0 GFADRO C[NH+]1CCC(OCC(=O)N[C@@H](CCO)c2cc(Cl)cc(Cl)c2)CC1 ZINC000827645167 660506947 /nfs/dbraw/zinc/50/69/47/660506947.db2.gz JHNGGMJLAVTKSK-INIZCTEOSA-N 1 0 375.296 2.644 20 0 GFADRO C[C@]1(CC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)CC1(Cl)Cl ZINC000827919221 660522971 /nfs/dbraw/zinc/52/29/71/660522971.db2.gz HFICBRPQRXQXTJ-NUJGCVRESA-N 1 0 385.335 2.960 20 0 GFADRO C[C@@H](NC(=O)c1cc(Br)n(C)n1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000828016469 660526444 /nfs/dbraw/zinc/52/64/44/660526444.db2.gz XPBBTYYCRBTBQY-HIFRSBDPSA-N 1 0 391.313 2.823 20 0 GFADRO C[C@@H](NC(=O)c1c(Br)nc2n1CCC2)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000828145563 660537488 /nfs/dbraw/zinc/53/74/88/660537488.db2.gz MUMYXJOMEASCHS-OLZOCXBDSA-N 1 0 395.345 2.975 20 0 GFADRO C[N@@H+]1CCN(C(=O)C[C@@H]2C(=O)Nc3c2cccc3Br)CCC1(C)C ZINC000828299808 660543103 /nfs/dbraw/zinc/54/31/03/660543103.db2.gz LRSYRWCBGMLJPD-ZDUSSCGKSA-N 1 0 394.313 2.818 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)[C@]2(C)CC2(Br)Br)C1 ZINC000829704041 660608441 /nfs/dbraw/zinc/60/84/41/660608441.db2.gz KANUNDQLLSKPNM-UMNHJUIQSA-N 1 0 382.140 2.872 20 0 GFADRO Cc1ncc2c(n1)CCC[C@H]2NC(=O)[C@@](C)([NH3+])c1ccc(Br)cc1 ZINC000829805728 660614814 /nfs/dbraw/zinc/61/48/14/660614814.db2.gz WGSXHJQQZLRRNL-AEFFLSMTSA-N 1 0 389.297 2.915 20 0 GFADRO C[NH+]1CCC(OCC(=O)N2CCc3ccc(Br)c(F)c3C2)CC1 ZINC000830001397 660629372 /nfs/dbraw/zinc/62/93/72/660629372.db2.gz OWZMWSDFMUOHIC-UHFFFAOYSA-N 1 0 385.277 2.584 20 0 GFADRO O=C1OCCN1C[C@@H]1CC[N@@H+](C[C@@H](O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000830096346 660634499 /nfs/dbraw/zinc/63/44/99/660634499.db2.gz YWXVVVBYGMOPFI-CHWSQXEVSA-N 1 0 389.279 2.507 20 0 GFADRO CC(C)[NH+]1CCC(O)(CNC(=O)c2c(Cl)nc3cc(Cl)ccn32)CC1 ZINC000830169121 660639786 /nfs/dbraw/zinc/63/97/86/660639786.db2.gz VEZPYYSHFJRTFG-UHFFFAOYSA-N 1 0 385.295 2.606 20 0 GFADRO CN(C)C(=O)O[C@@H]1CCC[N@H+](C[C@@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000830568372 660664703 /nfs/dbraw/zinc/66/47/03/660664703.db2.gz HICCUHIJDDTHKN-CHWSQXEVSA-N 1 0 391.295 2.896 20 0 GFADRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2cnn(C(C)(C)C)c2Br)C1 ZINC000830577144 660665063 /nfs/dbraw/zinc/66/50/63/660665063.db2.gz PLMBQDHDHCCFGF-GXTWGEPZSA-N 1 0 383.334 2.957 20 0 GFADRO CCO[C@@H](CNC(=O)c1[nH]nc(-c2ccccc2)c1Br)C[NH+](C)C ZINC000831758563 660724790 /nfs/dbraw/zinc/72/47/90/660724790.db2.gz ZKFMAPPZPDZIJM-ZDUSSCGKSA-N 1 0 395.301 2.536 20 0 GFADRO Cc1cc([C@@H]([NH3+])CC(=O)Nc2nc(-c3cnn(C)c3)cs2)cc(Cl)n1 ZINC000831961309 660740044 /nfs/dbraw/zinc/74/00/44/660740044.db2.gz VXKBGOIVOKDXRF-LBPRGKRZSA-N 1 0 376.873 2.929 20 0 GFADRO C[N@@H+](C[C@H](O)c1ccccc1Br)C[C@H](O)COc1ccccc1 ZINC000832673153 660793719 /nfs/dbraw/zinc/79/37/19/660793719.db2.gz PAARRGJTXJCEIL-KSSFIOAISA-N 1 0 380.282 2.854 20 0 GFADRO [NH3+][C@@H]1CN(C(=O)c2sc(N3CCCC3)nc2Cl)C[C@H]1c1ccccc1 ZINC000834718974 660831090 /nfs/dbraw/zinc/83/10/90/660831090.db2.gz RAPRARVKEUWHRU-UONOGXRCSA-N 1 0 376.913 2.964 20 0 GFADRO CCC[C@@H](C)NS(=O)(=O)c1cc(C(=O)NC[C@@H](C)[NH3+])c(Cl)cc1Cl ZINC000834682415 660829650 /nfs/dbraw/zinc/82/96/50/660829650.db2.gz SDNYNTIEBZCCOT-NXEZZACHSA-N 1 0 396.340 2.537 20 0 GFADRO CC1CC[NH+](CCNC(=O)NC[C@H](O)c2ccccc2Br)CC1 ZINC000836234808 660896556 /nfs/dbraw/zinc/89/65/56/660896556.db2.gz LZSGNWKSWHKQNY-INIZCTEOSA-N 1 0 384.318 2.514 20 0 GFADRO C[C@]1(CNC(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)CC1(Cl)Cl ZINC000836393107 660903371 /nfs/dbraw/zinc/90/33/71/660903371.db2.gz PFWKPLHQMIIKRF-DOTOQJQBSA-N 1 0 386.323 2.636 20 0 GFADRO C[C@@]1(CCNC(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)CC1(Cl)Cl ZINC000836624644 660922514 /nfs/dbraw/zinc/92/25/14/660922514.db2.gz SCUONIUGOHBOEQ-GOEBONIOSA-N 1 0 378.344 2.714 20 0 GFADRO O[C@H](C[C@H](O)C[NH2+]CCCCn1cc(Br)cn1)c1ccccc1 ZINC000905242994 654343470 /nfs/dbraw/zinc/34/34/70/654343470.db2.gz LRLJEONKRPVKLB-DLBZAZTESA-N 1 0 382.302 2.500 20 0 GFADRO CCOC(=O)c1c(NC(=S)NCCC[NH+](C)C)sc2c1CCSC2 ZINC000007389436 654470104 /nfs/dbraw/zinc/47/01/04/654470104.db2.gz MPJQXWFXECIHKJ-UHFFFAOYSA-N 1 0 387.596 2.952 20 0 GFADRO O=C(COc1ccc(Br)cc1F)N1CCN(c2cc[nH+]cc2)CC1 ZINC000024085993 654541978 /nfs/dbraw/zinc/54/19/78/654541978.db2.gz ABNVKWKAXRIYHM-UHFFFAOYSA-N 1 0 394.244 2.711 20 0 GFADRO CC[C@@H]1C[N@H+](CC)CCN1C(=O)C[C@](O)(c1nc(C)cs1)C(F)(F)F ZINC000836947711 660958462 /nfs/dbraw/zinc/95/84/62/660958462.db2.gz KYBYIOUEHWSBLT-DOMZBBRYSA-N 1 0 379.448 2.534 20 0 GFADRO COC(=O)c1ccc(Cl)c(S(=O)(=O)NCC(C)(C)[NH+]2CCCCC2)c1 ZINC000026885202 654560498 /nfs/dbraw/zinc/56/04/98/654560498.db2.gz CPNBJLJKORMQDF-UHFFFAOYSA-N 1 0 388.917 2.669 20 0 GFADRO CC(C)[C@H](NC(=O)c1cccs1)C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000027677154 654565133 /nfs/dbraw/zinc/56/51/33/654565133.db2.gz SPKIFNQOVCNWKK-BBRMVZONSA-N 1 0 379.551 2.983 20 0 GFADRO CCS(=O)(=O)N1CCC([NH2+]Cc2sc3nc(C)nc(C)c3c2C)CC1 ZINC000030667903 654587874 /nfs/dbraw/zinc/58/78/74/654587874.db2.gz PXFVLSTWJSFAKO-UHFFFAOYSA-N 1 0 382.555 2.520 20 0 GFADRO C[C@@H](CNS(=O)(=O)c1ccc(F)cc1Br)[NH+]1CCCCC1 ZINC000040446490 654621288 /nfs/dbraw/zinc/62/12/88/654621288.db2.gz YNPTXYPBSHKNLJ-NSHDSACASA-N 1 0 379.295 2.741 20 0 GFADRO Cc1cc(S(=O)(=O)NC[C@H](C)[NH+]2CCCCC2)ccc1Br ZINC000040446501 654621357 /nfs/dbraw/zinc/62/13/57/654621357.db2.gz HQKCOKZFZMVTOX-ZDUSSCGKSA-N 1 0 375.332 2.910 20 0 GFADRO C[C@@H](C[NH+]1CCCCC1)NS(=O)(=O)c1cc(Br)cnc1Cl ZINC000041066359 654622113 /nfs/dbraw/zinc/62/21/13/654622113.db2.gz NSKPWSFXHITAKT-JTQLQIEISA-N 1 0 396.738 2.650 20 0 GFADRO CC[NH+]1CCN(CCCNc2ncnc3ccc(Br)cc32)CC1 ZINC000041470849 654627230 /nfs/dbraw/zinc/62/72/30/654627230.db2.gz WFPVJIPQLGPVMI-UHFFFAOYSA-N 1 0 378.318 2.832 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)C(=O)NCC[N@H+]1CCCC[C@H]1C ZINC000041666216 654629429 /nfs/dbraw/zinc/62/94/29/654629429.db2.gz GOMZNUYHTQMTBB-CYBMUJFWSA-N 1 0 382.302 2.687 20 0 GFADRO Cc1cc(NC(=O)C(=O)NCC[N@H+]2CCCC[C@@H]2C)ccc1Br ZINC000041663973 654629572 /nfs/dbraw/zinc/62/95/72/654629572.db2.gz VFJIOAQYDOILCL-ZDUSSCGKSA-N 1 0 382.302 2.687 20 0 GFADRO CSc1nc2ccc(NC(=O)C(=O)NCCC[N@H+](C)C(C)C)cc2s1 ZINC000041716743 654630192 /nfs/dbraw/zinc/63/01/92/654630192.db2.gz ZKOCWCGMLZWALC-UHFFFAOYSA-N 1 0 380.539 2.803 20 0 GFADRO CN1CC[NH+](CCCCNC(=S)Nc2cccc(Br)c2)CC1 ZINC000041744760 654630644 /nfs/dbraw/zinc/63/06/44/654630644.db2.gz PQCNBDSQVVMFSP-UHFFFAOYSA-N 1 0 385.375 2.763 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)NC[C@@H](O)c2ccccc2Br)C1 ZINC000837197141 660977154 /nfs/dbraw/zinc/97/71/54/660977154.db2.gz NOLMMQCNXVAOQO-RHSMWYFYSA-N 1 0 387.293 2.811 20 0 GFADRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)c2c(Br)nc3n2CCCC3)C1 ZINC000837376159 660990350 /nfs/dbraw/zinc/99/03/50/660990350.db2.gz NDNLUYDHOBWDPJ-CYBMUJFWSA-N 1 0 383.334 2.832 20 0 GFADRO O=C(c1cc(Br)ccc1F)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000046048475 654674421 /nfs/dbraw/zinc/67/44/21/654674421.db2.gz LEBHEJPYNMGYPU-CQSZACIVSA-N 1 0 385.277 2.915 20 0 GFADRO CN(Cc1cc(Br)cs1)C(=O)NCCCC[NH+]1CCOCC1 ZINC000046750347 654684866 /nfs/dbraw/zinc/68/48/66/654684866.db2.gz NMXDHMJABWVCDE-UHFFFAOYSA-N 1 0 390.347 2.764 20 0 GFADRO CC[NH+]1CCN(CCCNC(=O)C(C)(C)c2ccc(Br)cc2)CC1 ZINC000046788387 654685441 /nfs/dbraw/zinc/68/54/41/654685441.db2.gz PNSSZUROQMKXEN-UHFFFAOYSA-N 1 0 396.373 2.871 20 0 GFADRO C[C@@H]1C[N@@H+](CCCNC(=O)CCOc2cccc(Br)c2)C[C@H](C)O1 ZINC000047681714 654699176 /nfs/dbraw/zinc/69/91/76/654699176.db2.gz VWXHMLMJBQOGOA-GASCZTMLSA-N 1 0 399.329 2.834 20 0 GFADRO Cc1ccc(NC(=O)C(=O)NCC[NH+](C(C)C)C(C)C)c(Br)c1 ZINC000048693260 654711535 /nfs/dbraw/zinc/71/15/35/654711535.db2.gz QGSKSFRDSOAQJN-UHFFFAOYSA-N 1 0 384.318 2.931 20 0 GFADRO CC[N@@H+]1CCC[C@H](CNC(=O)/C=C/c2ccc(I)o2)C1 ZINC000049520094 654715829 /nfs/dbraw/zinc/71/58/29/654715829.db2.gz BAWBMHOUPVNLPJ-WAFBPQNNSA-N 1 0 388.249 2.746 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(S(=O)(=O)CC)ccc2Cl)[C@H](C)C1 ZINC000122183813 654730701 /nfs/dbraw/zinc/73/07/01/654730701.db2.gz JGPQDRYLHFWPMJ-CXAGYDPISA-N 1 0 386.945 2.936 20 0 GFADRO O=S(=O)(NCC[NH2+]Cc1ccc(OCC(F)(F)F)cc1)c1cccs1 ZINC000122184751 654730807 /nfs/dbraw/zinc/73/08/07/654730807.db2.gz KPIHCHIYOPZSIZ-UHFFFAOYSA-N 1 0 394.440 2.757 20 0 GFADRO C[C@H]1C[C@@H](NC(=O)NCc2cn3cc(Br)ccc3n2)C[N@@H+]1C1CC1 ZINC000122190185 654730993 /nfs/dbraw/zinc/73/09/93/654730993.db2.gz LMLOPIJATDXJPX-WCQYABFASA-N 1 0 392.301 2.521 20 0 GFADRO C[N@@H+]1CCC[C@H]2CN(S(=O)(=O)c3cc(C(F)(F)F)ccc3F)CC[C@@H]21 ZINC000122419640 654736023 /nfs/dbraw/zinc/73/60/23/654736023.db2.gz JHWVCPQSZQEVNZ-FZMZJTMJSA-N 1 0 380.407 2.949 20 0 GFADRO COCC[N@H+]1[C@H](C)CN(C(=O)NCc2cc(Br)cs2)C[C@@H]1C ZINC000122419013 654736058 /nfs/dbraw/zinc/73/60/58/654736058.db2.gz AMJWHYNLOCSDPM-TXEJJXNPSA-N 1 0 390.347 2.761 20 0 GFADRO CCC[NH+]1CCC(NS(=O)(=O)c2cc(Br)sc2C)CC1 ZINC000122421876 654736220 /nfs/dbraw/zinc/73/62/20/654736220.db2.gz AAJYGCOOCPUTQF-UHFFFAOYSA-N 1 0 381.361 2.972 20 0 GFADRO Cc1sc(Br)cc1S(=O)(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000122443231 654737245 /nfs/dbraw/zinc/73/72/45/654737245.db2.gz DHDFEGGBJQVHSN-JTQLQIEISA-N 1 0 381.361 2.829 20 0 GFADRO C[N@@H+]1CCC[C@H]2CN(S(=O)(=O)c3cccc(OC(F)(F)F)c3)CC[C@@H]21 ZINC000122448907 654737541 /nfs/dbraw/zinc/73/75/41/654737541.db2.gz DIQVGOGEDNKOKY-WFASDCNBSA-N 1 0 378.416 2.690 20 0 GFADRO CN(CC[NH+]1CCCC1)C(=O)Nc1cc(Br)cnc1-n1cccn1 ZINC000122452667 654737827 /nfs/dbraw/zinc/73/78/27/654737827.db2.gz OTBMLSSHOMWISR-UHFFFAOYSA-N 1 0 393.289 2.589 20 0 GFADRO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)c2c(Br)nc3n2CCCC3)C1 ZINC000837447448 660998232 /nfs/dbraw/zinc/99/82/32/660998232.db2.gz RACIABZKXMVQTG-CQSZACIVSA-N 1 0 395.345 2.786 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)C(=O)NC[C@@H](C(C)C)[NH+]1CCCC1 ZINC000122831053 654744080 /nfs/dbraw/zinc/74/40/80/654744080.db2.gz PWJRCPPUBSJDPK-INIZCTEOSA-N 1 0 396.329 2.933 20 0 GFADRO O=C(c1cncc(I)c1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000122936834 654747413 /nfs/dbraw/zinc/74/74/13/654747413.db2.gz YSQXHNQWDMLZCE-OAHLLOKOSA-N 1 0 399.276 2.777 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)NCCOc2ccc(Br)cc2)C[N@@H+]1C1CC1 ZINC000123199390 654752947 /nfs/dbraw/zinc/75/29/47/654752947.db2.gz HTMODLAPBFLWEM-TZMCWYRMSA-N 1 0 382.302 2.752 20 0 GFADRO CSc1ncc(Cl)c(C(=O)NCc2ccc(OCC[NH+](C)C)cc2)n1 ZINC000053992594 654754753 /nfs/dbraw/zinc/75/47/53/654754753.db2.gz WWZPBRILXNWKQC-UHFFFAOYSA-N 1 0 380.901 2.722 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+][C@@H](C)CN1CCOCC1 ZINC000123281847 654754779 /nfs/dbraw/zinc/75/47/79/654754779.db2.gz QQZWQHHYBVNVLY-AWEZNQCLSA-N 1 0 393.329 2.754 20 0 GFADRO Cc1[nH]nc(C(=O)Nc2ccc(N3CCC[N@@H+](C)CC3)cc2)c1Br ZINC000054083012 654755795 /nfs/dbraw/zinc/75/57/95/654755795.db2.gz KXFWNPWMMALKAK-UHFFFAOYSA-N 1 0 392.301 2.875 20 0 GFADRO Cc1csc(=O)n1CC[NH+]1CCC(C(=O)Nc2ccc(Cl)cn2)CC1 ZINC000054215217 654758359 /nfs/dbraw/zinc/75/83/59/654758359.db2.gz JSNWXWTXMUICGC-UHFFFAOYSA-N 1 0 380.901 2.617 20 0 GFADRO CCCN(CC[NH+](C)C)C(=O)C[C@H](NC(C)=O)c1ccc(Br)cc1 ZINC000123778894 654763263 /nfs/dbraw/zinc/76/32/63/654763263.db2.gz XFSISIYOZXTEDS-KRWDZBQOSA-N 1 0 398.345 2.817 20 0 GFADRO C[C@@H](CS(C)(=O)=O)[NH2+]Cc1ccc(Br)c(Br)c1 ZINC000124564232 654778731 /nfs/dbraw/zinc/77/87/31/654778731.db2.gz RZBJZZVSODLAKM-QMMMGPOBSA-N 1 0 385.121 2.734 20 0 GFADRO O=C(CC[NH+]1CCN(Cc2cccs2)CC1)N1CCc2sccc2C1 ZINC000055899490 654783363 /nfs/dbraw/zinc/78/33/63/654783363.db2.gz NBWOZOXBFGQYRV-UHFFFAOYSA-N 1 0 375.563 2.902 20 0 GFADRO COC(=O)c1sc2ccccc2c1S(=O)(=O)N(C)CC[C@@H]([NH3+])C(C)C ZINC000124963341 654784657 /nfs/dbraw/zinc/78/46/57/654784657.db2.gz PSONUVVYEUQJBQ-CYBMUJFWSA-N 1 0 384.523 2.682 20 0 GFADRO C[C@@H]1C[NH2+]CCN1C(=O)c1cccc(NC(=O)c2ccc(Br)o2)c1 ZINC000125346707 654791630 /nfs/dbraw/zinc/79/16/30/654791630.db2.gz URUWRCQMALXUSY-LLVKDONJSA-N 1 0 392.253 2.728 20 0 GFADRO O=C(NCCCC[NH+]1CCOCC1)c1cc(Cl)cc(Br)c1 ZINC000126153136 654809294 /nfs/dbraw/zinc/80/92/94/654809294.db2.gz FLQWGVRYOYQFPL-UHFFFAOYSA-N 1 0 375.694 2.945 20 0 GFADRO CC(C)[NH+](CCCNC(=O)c1cncc(I)c1)C(C)C ZINC000126213586 654810417 /nfs/dbraw/zinc/81/04/17/654810417.db2.gz WGXVWAJIRLNHBY-UHFFFAOYSA-N 1 0 389.281 2.925 20 0 GFADRO C[N@@H+](Cc1cc(Br)ccc1F)C[C@@H](O)COC[C@H]1CCCO1 ZINC000058396709 654817591 /nfs/dbraw/zinc/81/75/91/654817591.db2.gz FIYCCHXUZVWTQP-HUUCEWRRSA-N 1 0 376.266 2.577 20 0 GFADRO C[NH+]1CCC(CNC(=O)c2cc(-c3ccc(Br)cc3)n[nH]2)CC1 ZINC000127426619 654829841 /nfs/dbraw/zinc/82/98/41/654829841.db2.gz QYUOHPFXGHYSHL-UHFFFAOYSA-N 1 0 377.286 2.911 20 0 GFADRO O=S(=O)(NCC[NH2+]Cc1cccc(-n2cccn2)c1)c1ccc(Cl)s1 ZINC000127835284 654835378 /nfs/dbraw/zinc/83/53/78/654835378.db2.gz VUFUPBCOMKQZOY-UHFFFAOYSA-N 1 0 396.925 2.655 20 0 GFADRO C[N@@H+](Cc1cccc(OC(F)(F)F)c1)C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000128232263 654842563 /nfs/dbraw/zinc/84/25/63/654842563.db2.gz IZXWVGQNKUKNTO-CQSZACIVSA-N 1 0 380.432 2.689 20 0 GFADRO C[C@H](CC[NH+](C)C)NC(=O)N1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000062503781 654845947 /nfs/dbraw/zinc/84/59/47/654845947.db2.gz CNNKSMSIUZJDQA-CZUORRHYSA-N 1 0 384.318 2.872 20 0 GFADRO O=C(C[C@H]1CC[NH2+]C1)NCC1(c2cccc(Br)c2)CCOCC1 ZINC000128448213 654847134 /nfs/dbraw/zinc/84/71/34/654847134.db2.gz VOJSKQKABBBUBY-CQSZACIVSA-N 1 0 381.314 2.613 20 0 GFADRO [NH3+][C@@H]1CCCC[C@H]1NC(=O)c1ccc(I)c(Cl)c1 ZINC000128831202 654852055 /nfs/dbraw/zinc/85/20/55/654852055.db2.gz OENNNNPVDWECBQ-VXGBXAGGSA-N 1 0 378.641 2.944 20 0 GFADRO CCOCCC[NH2+]Cc1cc(I)c(OC)c(OC)c1 ZINC000063312766 654852142 /nfs/dbraw/zinc/85/21/42/654852142.db2.gz GASRIIHEEQHCJP-UHFFFAOYSA-N 1 0 379.238 2.825 20 0 GFADRO O[C@@H](C[NH2+]Cc1ccccc1Br)COc1ccc2c(c1)OCO2 ZINC000063523786 654853768 /nfs/dbraw/zinc/85/37/68/654853768.db2.gz VEGLPLRSAUWJAR-ZDUSSCGKSA-N 1 0 380.238 2.707 20 0 GFADRO CCOC(=O)C[C@@H](NC(=O)C[C@@H]1CC[NH2+]C1)c1ccc(Br)cc1 ZINC000129083309 654856058 /nfs/dbraw/zinc/85/60/58/654856058.db2.gz GNOOAHBQCOKAHF-SWLSCSKDSA-N 1 0 383.286 2.559 20 0 GFADRO C[NH+](C)C1CCN(C(=O)[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)CC1 ZINC000063734739 654856647 /nfs/dbraw/zinc/85/66/47/654856647.db2.gz OQFONLKMCMERCP-AWEZNQCLSA-N 1 0 384.307 2.899 20 0 GFADRO C[C@H](Oc1cccc(Cl)c1Cl)C(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000063739309 654856947 /nfs/dbraw/zinc/85/69/47/654856947.db2.gz YCWOGEXPRZKSIP-AWEZNQCLSA-N 1 0 388.339 2.905 20 0 GFADRO CCO[C@@H]1C[C@H](O)C12CC[NH+](C[C@@H](O)c1ccc(Br)cc1)CC2 ZINC000266096535 654857132 /nfs/dbraw/zinc/85/71/32/654857132.db2.gz ZQIDASHBXZQTRC-IXDOHACOSA-N 1 0 384.314 2.734 20 0 GFADRO CN1CC[NH+](CCCCNC(=O)c2[nH]c3ccccc3c2Br)CC1 ZINC000063783568 654858034 /nfs/dbraw/zinc/85/80/34/654858034.db2.gz LAGWAUNCXVMLTB-UHFFFAOYSA-N 1 0 393.329 2.688 20 0 GFADRO O=C(CC[N@@H+]1CCCN(c2nccs2)CC1)N1CCc2sccc2C1 ZINC000064401198 654868370 /nfs/dbraw/zinc/86/83/70/654868370.db2.gz JTJJWRCLRWBQBX-UHFFFAOYSA-N 1 0 376.551 2.692 20 0 GFADRO C[C@H]([NH2+]C1CCN(S(=O)(=O)C2CCOCC2)CC1)c1ccccc1Cl ZINC000129619156 654868492 /nfs/dbraw/zinc/86/84/92/654868492.db2.gz KPYVMWNMKKGJIE-AWEZNQCLSA-N 1 0 386.945 2.964 20 0 GFADRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(I)cc1)[C@@H]1CCOC1 ZINC000266293869 654869520 /nfs/dbraw/zinc/86/95/20/654869520.db2.gz KOVBWPRSTDVVPV-GRYCIOLGSA-N 1 0 388.249 2.633 20 0 GFADRO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]C[C@H](O)COCC1CC1 ZINC000129797783 654874015 /nfs/dbraw/zinc/87/40/15/654874015.db2.gz MVWNRFACSFBTSV-WBMJQRKESA-N 1 0 385.302 2.543 20 0 GFADRO O=C(NCCC[NH+]1CCCC1)C1CCN(c2cncc(Br)c2)CC1 ZINC000266396961 654876777 /nfs/dbraw/zinc/87/67/77/654876777.db2.gz OVIZWHMQNBULDW-UHFFFAOYSA-N 1 0 395.345 2.663 20 0 GFADRO Cc1ccc(NC(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)cc1Br ZINC000266428289 654878761 /nfs/dbraw/zinc/87/87/61/654878761.db2.gz XEMNVWDOSJPEOK-ZDUSSCGKSA-N 1 0 383.334 2.763 20 0 GFADRO C[C@H](COCC(F)(F)F)NC(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000065483781 654880212 /nfs/dbraw/zinc/88/02/12/654880212.db2.gz VCKBBAWGHLKWQC-CYBMUJFWSA-N 1 0 383.480 2.615 20 0 GFADRO CC(C)[N@@H+]1CC[C@H](CNC(=O)NCc2cc3c(c(Br)c2)OCO3)C1 ZINC000065441161 654880407 /nfs/dbraw/zinc/88/04/07/654880407.db2.gz ICKFFGHCFKFYQF-GFCCVEGCSA-N 1 0 398.301 2.707 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)C(=O)NC[C@H](C)[NH+]1CCC(C)CC1 ZINC000065601652 654881869 /nfs/dbraw/zinc/88/18/69/654881869.db2.gz OQVJPZIAFNWCMX-AWEZNQCLSA-N 1 0 396.329 2.933 20 0 GFADRO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NCCc1nc(C(F)(F)F)cs1 ZINC000266551889 654884714 /nfs/dbraw/zinc/88/47/14/654884714.db2.gz SCWRXNXIWVCXNB-AWEZNQCLSA-N 1 0 379.448 2.614 20 0 GFADRO CC(C)C[N@H+](C)[C@@H](C)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000065962057 654891432 /nfs/dbraw/zinc/89/14/32/654891432.db2.gz NSGJYTCDMHNYKZ-LBPRGKRZSA-N 1 0 375.922 2.505 20 0 GFADRO CC[N@H+](CCNC(=O)c1ccnc(Cl)c1I)C(C)C ZINC000130939702 654893899 /nfs/dbraw/zinc/89/38/99/654893899.db2.gz DXMRCXZENSSFOE-UHFFFAOYSA-N 1 0 395.672 2.800 20 0 GFADRO CC[C@@H](C)[N@H+](C)CCNC(=O)CN1C(=S)N=NC1c1ccc(Cl)cc1 ZINC000066136810 654895619 /nfs/dbraw/zinc/89/56/19/654895619.db2.gz LODPBZCEUGBURN-GFCCVEGCSA-N 1 0 381.933 2.734 20 0 GFADRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(Br)nc2)[C@@H](C)C1 ZINC000266882507 654897414 /nfs/dbraw/zinc/89/74/14/654897414.db2.gz PGPLZKNYMYLREO-DZGCQCFKSA-N 1 0 384.318 2.711 20 0 GFADRO C[C@@H]1C[N@@H+](C2CCN(CC(=O)Nc3ccccc3Br)CC2)CCO1 ZINC000066561561 654906219 /nfs/dbraw/zinc/90/62/19/654906219.db2.gz PSDUEQSTFLKRFO-CQSZACIVSA-N 1 0 396.329 2.573 20 0 GFADRO C[C@@H](C(=O)NCc1nc2cc(Br)cnc2[nH]1)[NH+]1[C@H](C)CC[C@H]1C ZINC000267158967 654913958 /nfs/dbraw/zinc/91/39/58/654913958.db2.gz KAKFHQUVLCUHQK-MXWKQRLJSA-N 1 0 380.290 2.598 20 0 GFADRO CC(C)(C[NH2+][C@@H]1CCCOC1)S(=O)(=O)c1ccc(Br)cc1 ZINC000131701701 654914491 /nfs/dbraw/zinc/91/44/91/654914491.db2.gz FVEMGPYTWAEVJB-CYBMUJFWSA-N 1 0 376.316 2.770 20 0 GFADRO C[C@H](SCC(=O)NC[C@]1([NH+](C)C)CCSC1)c1nc2ccccc2[nH]1 ZINC000267222836 654918465 /nfs/dbraw/zinc/91/84/65/654918465.db2.gz IJWMBHMXTNDKQA-SCLBCKFNSA-N 1 0 378.567 2.911 20 0 GFADRO [NH3+]C1CCC(NC(=O)CCC[S@](=O)c2ccc(Br)cc2)CC1 ZINC000131900513 654921452 /nfs/dbraw/zinc/92/14/52/654921452.db2.gz GQFXXOSGYAALNB-DVUMAKGASA-N 1 0 387.343 2.723 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)Cn2cc(Br)cn2)CC[N@@H+]1Cc1ccccc1 ZINC000267435167 654928201 /nfs/dbraw/zinc/92/82/01/654928201.db2.gz FWNVWZCJGXVAEO-PBHICJAKSA-N 1 0 391.313 2.815 20 0 GFADRO COC(=O)[C@H]1CCC[N@H+](CCC(=O)Nc2ccc(Br)cc2F)C1 ZINC000067227561 654933904 /nfs/dbraw/zinc/93/39/04/654933904.db2.gz WLYJUOVYSUMJST-NSHDSACASA-N 1 0 387.249 2.802 20 0 GFADRO CN(c1ncc(Br)cn1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000067370751 654937303 /nfs/dbraw/zinc/93/73/03/654937303.db2.gz RKFJWTHJLGDECW-UHFFFAOYSA-N 1 0 376.302 2.777 20 0 GFADRO C[NH+](C)CCN(CC(=O)OC(C)(C)C)C(=O)c1cc(Cl)ncc1Cl ZINC000132483649 654939044 /nfs/dbraw/zinc/93/90/44/654939044.db2.gz NHMWDLYHJYTSQV-UHFFFAOYSA-N 1 0 376.284 2.734 20 0 GFADRO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[NH+]1CCC2(CNC(=O)C2)CC1 ZINC000267674002 654941520 /nfs/dbraw/zinc/94/15/20/654941520.db2.gz PDJFRUQVTQBESN-UHFFFAOYSA-N 1 0 384.307 2.554 20 0 GFADRO C[C@H]1C[N@@H+](C2CCN(C(=O)c3ccc(Br)c(F)c3)CC2)CCO1 ZINC000067592275 654941679 /nfs/dbraw/zinc/94/16/79/654941679.db2.gz INLPJOXFCPYHSG-LBPRGKRZSA-N 1 0 385.277 2.914 20 0 GFADRO CC(C)[NH+]1CCN(C(=O)[C@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)CC1 ZINC000067792390 654945920 /nfs/dbraw/zinc/94/59/20/654945920.db2.gz SKDOJVLIOMZYMO-CQSZACIVSA-N 1 0 384.307 2.899 20 0 GFADRO O=S(=O)(c1cc(Br)ccc1Cl)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000067950260 654950022 /nfs/dbraw/zinc/95/00/22/654950022.db2.gz ULOVYRDZCIQNBJ-GFCCVEGCSA-N 1 0 393.734 2.961 20 0 GFADRO C[NH+](C)CCCOC1CCN(S(=O)(=O)c2c(F)cccc2Cl)CC1 ZINC000132980283 654950636 /nfs/dbraw/zinc/95/06/36/654950636.db2.gz NFYPFUJMEKPPRH-UHFFFAOYSA-N 1 0 378.897 2.601 20 0 GFADRO COc1cc(C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@@H]2C)cc(OC)c1Br ZINC000268175275 654961849 /nfs/dbraw/zinc/96/18/49/654961849.db2.gz FOPGGIJHQNMETP-GWCFXTLKSA-N 1 0 383.286 2.679 20 0 GFADRO C[NH+](C)C[C@H]1CCCN1C(=O)c1cnn(-c2ccc(Br)cc2)c1 ZINC000268225219 654963991 /nfs/dbraw/zinc/96/39/91/654963991.db2.gz XIYIGODSRNCWRE-MRXNPFEDSA-N 1 0 377.286 2.801 20 0 GFADRO C[N@@H+]1CCCC[C@H]1CCOC(=O)Cc1ccccc1S(=O)(=O)C(F)F ZINC000838300981 661038524 /nfs/dbraw/zinc/03/85/24/661038524.db2.gz ZEHMVQUNNBWOOI-AWEZNQCLSA-N 1 0 375.437 2.643 20 0 GFADRO CC(C)([NH2+]CN1C(=O)NC2(CCOCC2)C1=O)c1ccc(Cl)c(Cl)c1 ZINC000068875239 654969277 /nfs/dbraw/zinc/96/92/77/654969277.db2.gz WNUNQCJCVCZBFM-UHFFFAOYSA-N 1 0 386.279 2.877 20 0 GFADRO CC(C)[NH+]1CCC(O)(CNC(=O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000268483189 654974387 /nfs/dbraw/zinc/97/43/87/654974387.db2.gz PIJZPEXAZUXNJG-UHFFFAOYSA-N 1 0 375.296 2.724 20 0 GFADRO C[NH+]1CCC(O)(CNC(=O)/C=C(/c2ccc(Cl)cc2)C(F)(F)F)CC1 ZINC000268492826 654974570 /nfs/dbraw/zinc/97/45/70/654974570.db2.gz FKQPFTRQOGRXQQ-UVTDQMKNSA-N 1 0 376.806 2.859 20 0 GFADRO COc1ccsc1S(=O)(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000268511665 654975618 /nfs/dbraw/zinc/97/56/18/654975618.db2.gz RLRXXLBZCOGDHX-GOEBONIOSA-N 1 0 380.535 2.946 20 0 GFADRO C[C@@H]1C[C@H](N(C)C(=O)c2cc(I)ccc2F)CC[N@@H+]1C ZINC000268547328 654977368 /nfs/dbraw/zinc/97/73/68/654977368.db2.gz VLAQUSFWQWHNFB-ZYHUDNBSSA-N 1 0 390.240 2.985 20 0 GFADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[C@@H]1c1cccc(Br)c1 ZINC000069503100 654982172 /nfs/dbraw/zinc/98/21/72/654982172.db2.gz XHBNOQPGLUZVNW-BRWVUGGUSA-N 1 0 381.314 2.780 20 0 GFADRO C[NH+]1CCC(O)(CNC(=O)Nc2ccc(Cl)cc2Br)CC1 ZINC000268738835 654985287 /nfs/dbraw/zinc/98/52/87/654985287.db2.gz STMMCIAVFWIUJO-UHFFFAOYSA-N 1 0 376.682 2.681 20 0 GFADRO C[C@H]([NH2+]C1CCN(CC(F)(F)F)CC1)c1ccc(NS(C)(=O)=O)cc1 ZINC000268796060 654986906 /nfs/dbraw/zinc/98/69/06/654986906.db2.gz BSFYOCVFDQJJNB-LBPRGKRZSA-N 1 0 379.448 2.735 20 0 GFADRO O[C@H](CN1CCC[C@H](C[NH+]2CCOCC2)C1)c1cccc(Br)c1 ZINC000069857050 654987547 /nfs/dbraw/zinc/98/75/47/654987547.db2.gz CGMBOLKDLMPGDU-CRAIPNDOSA-N 1 0 383.330 2.527 20 0 GFADRO CC(C)[N@H+](C)C[C@H](C)NC(=O)N(C)C[C@H](O)c1ccccc1Br ZINC000838594849 661050407 /nfs/dbraw/zinc/05/04/07/661050407.db2.gz LJRUGCRALMYJPP-BBRMVZONSA-N 1 0 386.334 2.853 20 0 GFADRO O=C(NCc1cccc(Br)c1)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000069933158 654990289 /nfs/dbraw/zinc/99/02/89/654990289.db2.gz AXKNPKXIJDHHFJ-MRXNPFEDSA-N 1 0 396.329 2.703 20 0 GFADRO CCN(CC)S(=O)(=O)c1cc(NC(=O)[C@]2(CC)CCC[NH2+]2)ccc1Cl ZINC000134376245 654992582 /nfs/dbraw/zinc/99/25/82/654992582.db2.gz CZEYIXGAZGOJFE-KRWDZBQOSA-N 1 0 387.933 2.841 20 0 GFADRO CS[C@H]1CCCC[N@H+](CC(=O)N(C)CC(=O)Nc2ccccc2Cl)C1 ZINC000134542838 654995981 /nfs/dbraw/zinc/99/59/81/654995981.db2.gz ZPRCRJHCMINERO-AWEZNQCLSA-N 1 0 383.945 2.954 20 0 GFADRO O=C(Nc1cccc(Br)c1)C1CCN(C(=O)[C@H]2CCCC[NH2+]2)CC1 ZINC000269058789 654996417 /nfs/dbraw/zinc/99/64/17/654996417.db2.gz UEFLMAMAXQWGRL-MRXNPFEDSA-N 1 0 394.313 2.768 20 0 GFADRO C[C@H](CNC(=O)C(=O)Nc1ccccc1SC(F)(F)F)[NH+]1CCCC1 ZINC000070965323 654997581 /nfs/dbraw/zinc/99/75/81/654997581.db2.gz MMOJXZKGMYPEQV-LLVKDONJSA-N 1 0 375.416 2.838 20 0 GFADRO CCOc1cc(Br)c(CC(=O)N2CC[C@H]([NH2+]C)C2)cc1OCC ZINC000269141914 654999578 /nfs/dbraw/zinc/99/95/78/654999578.db2.gz WNIFJQSVUAOSJC-ZDUSSCGKSA-N 1 0 385.302 2.609 20 0 GFADRO CCOCCOc1ccc(Br)cc1/C=C/C(=O)N1CC[C@@H]([NH2+]C)C1 ZINC000269142800 654999616 /nfs/dbraw/zinc/99/96/16/654999616.db2.gz WXGMKIHBMRFLAZ-IEXSPKMKSA-N 1 0 397.313 2.698 20 0 GFADRO Cc1c(C(=O)N2CC[C@@H]([NH3+])[C@H](C)C2)cnn1-c1ccc(Br)cc1 ZINC000269218544 655001820 /nfs/dbraw/zinc/00/18/20/655001820.db2.gz QJMYZOSARRTJKI-BDJLRTHQSA-N 1 0 377.286 2.753 20 0 GFADRO C[C@H]1CCC[N@@H+]1C1CCN([C@H](C(N)=O)c2ccc(Br)cc2)CC1 ZINC000134720857 655002082 /nfs/dbraw/zinc/00/20/82/655002082.db2.gz NAINERYSPINNIZ-GUYCJALGSA-N 1 0 380.330 2.924 20 0 GFADRO NC(=O)[C@H](c1ccc(Br)cc1)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134905318 655005607 /nfs/dbraw/zinc/00/56/07/655005607.db2.gz CVCICFBHQGUQPB-OLMNPRSZSA-N 1 0 392.341 2.924 20 0 GFADRO C[NH+](C)CCC(=O)Nc1ccc(NC(=O)c2cccnc2Br)cc1 ZINC000135078438 655009023 /nfs/dbraw/zinc/00/90/23/655009023.db2.gz YGSJLMNXDWKTMY-UHFFFAOYSA-N 1 0 391.269 2.987 20 0 GFADRO CC(C)[NH+]1CCC(N2CCN(C(=O)c3cc(Cl)c(Cl)n3C)CC2)CC1 ZINC000269499511 655011817 /nfs/dbraw/zinc/01/18/17/655011817.db2.gz MUTMXTZSJZRVSK-UHFFFAOYSA-N 1 0 387.355 2.963 20 0 GFADRO C[C@H](CN1CCOCC1)[NH2+]Cc1ccc(OC(F)F)c(Br)c1 ZINC000092561320 655014383 /nfs/dbraw/zinc/01/43/83/655014383.db2.gz YCQOLTFAKWTCLY-LLVKDONJSA-N 1 0 379.245 2.861 20 0 GFADRO NC(=O)C[C@@H]1CCCC[N@@H+]1Cc1cc(Br)c2c(c1)OCCCO2 ZINC000092588306 655014636 /nfs/dbraw/zinc/01/46/36/655014636.db2.gz HFAYCULGLNZTBA-ZDUSSCGKSA-N 1 0 383.286 2.840 20 0 GFADRO CN(C[C@@H](O)c1ccccc1Br)C(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000838763208 661056179 /nfs/dbraw/zinc/05/61/79/661056179.db2.gz CKGDYBBRNJMQFP-WMLDXEAASA-N 1 0 398.345 2.856 20 0 GFADRO C[NH+](C)Cc1ccccc1CNS(=O)(=O)c1c[nH]c2nccc(Cl)c12 ZINC000093906917 655022140 /nfs/dbraw/zinc/02/21/40/655022140.db2.gz FWQZTNZTDLWEAT-UHFFFAOYSA-N 1 0 378.885 2.756 20 0 GFADRO Cc1c(C(=O)N[C@@H]2CC[C@H]([NH+](C)C)C2)nnn1-c1cccc(Br)c1 ZINC000093991111 655025732 /nfs/dbraw/zinc/02/57/32/655025732.db2.gz ORGTWMHOEDWKIV-KGLIPLIRSA-N 1 0 392.301 2.551 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@@H](NC(=O)[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C1 ZINC000093986704 655025746 /nfs/dbraw/zinc/02/57/46/655025746.db2.gz XVJXUHIYENVXHK-BZPMIXESSA-N 1 0 384.307 2.945 20 0 GFADRO O=C(c1ccc(Cl)c(Br)c1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000269944831 655028573 /nfs/dbraw/zinc/02/85/73/655028573.db2.gz LZTBZYLZHCHSOP-GFCCVEGCSA-N 1 0 387.705 2.897 20 0 GFADRO CC[N@H+](CC(=O)Nc1ccc(I)cc1C)CC(C)(C)O ZINC000096585142 655031764 /nfs/dbraw/zinc/03/17/64/655031764.db2.gz VHFWZLSJFBFXIA-UHFFFAOYSA-N 1 0 390.265 2.631 20 0 GFADRO CSCC[C@@H]1NC(=S)N(C[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)C1=O ZINC000136525694 655032978 /nfs/dbraw/zinc/03/29/78/655032978.db2.gz QRSRCSKAPOPKFQ-OIISXLGYSA-N 1 0 377.579 2.735 20 0 GFADRO COC(=O)C1CC[NH+](CCCNC(=O)c2ccc(Br)c(C)c2)CC1 ZINC000270097753 655033936 /nfs/dbraw/zinc/03/39/36/655033936.db2.gz BBFXCIMFPWPAIG-UHFFFAOYSA-N 1 0 397.313 2.762 20 0 GFADRO CS(=O)(=O)N1CCC([NH2+]Cc2ccc(Cl)c(Br)c2)CC1 ZINC000137072702 655037444 /nfs/dbraw/zinc/03/74/44/655037444.db2.gz FZXMAFJGVLXIEC-UHFFFAOYSA-N 1 0 381.723 2.616 20 0 GFADRO O=C(Cc1ccccc1I)N1CC[NH+](C2CCCC2)CC1 ZINC000137289151 655039266 /nfs/dbraw/zinc/03/92/66/655039266.db2.gz QPMMUMVGYJTEEZ-UHFFFAOYSA-N 1 0 398.288 2.921 20 0 GFADRO O=C(Nc1cccc(C[NH2+][C@H]2CCS(=O)(=O)C2)c1)c1ccccc1Cl ZINC000098081485 655039471 /nfs/dbraw/zinc/03/94/71/655039471.db2.gz UDLXCIRHQGQKOU-HNNXBMFYSA-N 1 0 378.881 2.869 20 0 GFADRO C[N@H+](CCCO)C1CCN(C(=O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000270346633 655041656 /nfs/dbraw/zinc/04/16/56/655041656.db2.gz DTLXMJAAHXHPHQ-UHFFFAOYSA-N 1 0 375.296 2.677 20 0 GFADRO COc1cc(C[NH2+][C@@](C)(CO)C2CC2)cc(I)c1OC ZINC000151157666 655048450 /nfs/dbraw/zinc/04/84/50/655048450.db2.gz CJGYJZZIZLHJEX-HNNXBMFYSA-N 1 0 391.249 2.559 20 0 GFADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)Nc1cccc(Br)c1 ZINC000102050841 655050146 /nfs/dbraw/zinc/05/01/46/655050146.db2.gz PPNWZWRPYPJFPV-HNNXBMFYSA-N 1 0 397.317 2.513 20 0 GFADRO C[N@@H+]1CC[C@H](CNC(=O)CN2CCSC2=O)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000270603669 655050407 /nfs/dbraw/zinc/05/04/07/655050407.db2.gz HDSBWYWIIFCHKV-WBMJQRKESA-N 1 0 385.892 2.757 20 0 GFADRO CC[C@@](C)(CC(=O)OC)[NH2+]CC(=O)N(C)Cc1ccccc1Br ZINC000151713780 655053433 /nfs/dbraw/zinc/05/34/33/655053433.db2.gz CXFXYVPDZKAXRG-KRWDZBQOSA-N 1 0 385.302 2.729 20 0 GFADRO COc1cc(OC)cc([C@@H](O)C[NH2+]Cc2cccc(O)c2Br)c1 ZINC000838944949 661064340 /nfs/dbraw/zinc/06/43/40/661064340.db2.gz QKBWZTKHCOPBKA-INIZCTEOSA-N 1 0 382.254 2.995 20 0 GFADRO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000153193376 655065170 /nfs/dbraw/zinc/06/51/70/655065170.db2.gz LUCNBGKUMNBOGB-LBPRGKRZSA-N 1 0 393.281 2.936 20 0 GFADRO CC(=O)N[C@@H](CC(=O)N(C)CC[NH+]1CCCC1)c1ccc(Br)cc1 ZINC000103119594 655067201 /nfs/dbraw/zinc/06/72/01/655067201.db2.gz YUORJTWKFPSKFZ-KRWDZBQOSA-N 1 0 396.329 2.571 20 0 GFADRO CC[NH+]1CCC(N(C)S(=O)(=O)c2cc(Br)c(F)cc2F)CC1 ZINC000103153264 655067670 /nfs/dbraw/zinc/06/76/70/655067670.db2.gz MACWEVOKGQICNR-UHFFFAOYSA-N 1 0 397.285 2.832 20 0 GFADRO NC(=O)C[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc(Br)cc1F ZINC000103286690 655070553 /nfs/dbraw/zinc/07/05/53/655070553.db2.gz IHNHHHZPUCKLAV-LBPRGKRZSA-N 1 0 386.265 2.647 20 0 GFADRO C[NH+]=C(NCCCNC(=O)c1cccc(Br)c1)NCc1ccco1 ZINC000103338466 655071534 /nfs/dbraw/zinc/07/15/34/655071534.db2.gz YWEPLWMKEKHFRF-UHFFFAOYSA-N 1 0 393.285 2.527 20 0 GFADRO COc1cc(Br)cc(NC(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)c1 ZINC000271242436 655072426 /nfs/dbraw/zinc/07/24/26/655072426.db2.gz UTKAQOGKUWRENJ-CYBMUJFWSA-N 1 0 398.301 2.644 20 0 GFADRO COCCN(CC(F)F)C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000103515030 655074197 /nfs/dbraw/zinc/07/41/97/655074197.db2.gz WVWHPCFZCGWXRH-CQSZACIVSA-N 1 0 375.485 2.883 20 0 GFADRO CCS(=O)(=O)N(C)CCCNC(=[NH2+])N[C@H](C)c1ccc(Cl)cc1Cl ZINC000104172952 655079200 /nfs/dbraw/zinc/07/92/00/655079200.db2.gz BMOBLSYZUMFZEX-LLVKDONJSA-N 1 0 395.356 2.630 20 0 GFADRO C[NH+](C)CCOc1cccc(CNC(=O)c2cccc(Br)n2)c1 ZINC000154975575 655079823 /nfs/dbraw/zinc/07/98/23/655079823.db2.gz VCWOWCIXDWLJIO-UHFFFAOYSA-N 1 0 378.270 2.715 20 0 GFADRO CS(=O)(=O)N1CC[C@@H](C[NH2+][C@@H]2CCCc3ccc(Br)cc32)C1 ZINC000271530538 655084284 /nfs/dbraw/zinc/08/42/84/655084284.db2.gz QVXHBKYAKSOGBU-BLLLJJGKSA-N 1 0 387.343 2.698 20 0 GFADRO C[C@@H]([NH2+]CC1(CS(C)(=O)=O)CC1)c1ccccc1I ZINC000271566455 655085838 /nfs/dbraw/zinc/08/58/38/655085838.db2.gz YMSPYIHZKCRUPM-LLVKDONJSA-N 1 0 393.290 2.767 20 0 GFADRO COC(=O)c1cc(S(=O)(=O)NCC[NH+](C(C)C)C(C)C)ccc1Cl ZINC000156791478 655095917 /nfs/dbraw/zinc/09/59/17/655095917.db2.gz MCTBAXBIRMOGRG-UHFFFAOYSA-N 1 0 376.906 2.524 20 0 GFADRO C[C@H]([NH2+]CCOc1ccccc1Br)c1cccc(S(N)(=O)=O)c1 ZINC000271872968 655097479 /nfs/dbraw/zinc/09/74/79/655097479.db2.gz QPLGQUIMXVWVIW-LBPRGKRZSA-N 1 0 399.310 2.826 20 0 GFADRO [NH3+]C1CCN(C(=O)c2cnn(-c3ncccc3Cl)c2C(F)(F)Cl)CC1 ZINC000157611239 655101329 /nfs/dbraw/zinc/10/13/29/655101329.db2.gz NAYUCZGNTSSLCE-UHFFFAOYSA-N 1 0 390.221 2.772 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)C1 ZINC000272228016 655106314 /nfs/dbraw/zinc/10/63/14/655106314.db2.gz JKSVDWWGCCFUAP-OZVIIMIRSA-N 1 0 384.307 2.794 20 0 GFADRO CC(C)(O)C[NH+]1CCN(Cn2nc(-c3ccc(Cl)cc3)[nH]c2=S)CC1 ZINC000158583482 655107591 /nfs/dbraw/zinc/10/75/91/655107591.db2.gz XKYWGRBVKLRQPI-UHFFFAOYSA-N 1 0 381.933 2.607 20 0 GFADRO CCOc1ccc(Cl)cc1[C@H](C)[NH2+]C1CCN(CCS(C)(=O)=O)CC1 ZINC000159927186 655117600 /nfs/dbraw/zinc/11/76/00/655117600.db2.gz DTWDZLVBQVVUME-AWEZNQCLSA-N 1 0 388.961 2.898 20 0 GFADRO O=C(CCc1cc(Br)cs1)NCCCC[NH+]1CCOCC1 ZINC000107221043 655118598 /nfs/dbraw/zinc/11/85/98/655118598.db2.gz HYVIOGNYQYFNAF-UHFFFAOYSA-N 1 0 375.332 2.672 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)C(=O)NCC1(C)CC[NH+](C)CC1 ZINC000272711840 655120071 /nfs/dbraw/zinc/12/00/71/655120071.db2.gz RQFRCJJYHVDHFH-UHFFFAOYSA-N 1 0 382.302 2.544 20 0 GFADRO CSC1(C[NH2+][C@H](Cc2ccc(C(F)(F)F)cc2)C(N)=O)CCOCC1 ZINC000272945598 655126313 /nfs/dbraw/zinc/12/63/13/655126313.db2.gz CSGLCSUYFCIBML-CQSZACIVSA-N 1 0 376.444 2.604 20 0 GFADRO Cc1cc(Br)cn2c(C[NH2+]C(C)(C)CCS(C)(=O)=O)cnc12 ZINC000273025172 655127852 /nfs/dbraw/zinc/12/78/52/655127852.db2.gz BEYGDHHJDMDIFG-UHFFFAOYSA-N 1 0 388.331 2.708 20 0 GFADRO O=C(Nc1ccc(C(=O)NC[C@H]2CC[NH2+]C2)cc1)c1ccc(Br)o1 ZINC000273062074 655129075 /nfs/dbraw/zinc/12/90/75/655129075.db2.gz SZAOKZYENXHOIJ-NSHDSACASA-N 1 0 392.253 2.634 20 0 GFADRO C[N@@H+]1CCC[C@H](CNC(=O)c2ccc(I)c(F)c2)C1 ZINC000108333216 655131347 /nfs/dbraw/zinc/13/13/47/655131347.db2.gz LMEHOBLIMDNQDB-SNVBAGLBSA-N 1 0 376.213 2.502 20 0 GFADRO C[N@@H+]1CCC[C@@H](CNC(=O)c2[nH]nc(-c3ccccc3)c2Br)C1 ZINC000108331028 655131163 /nfs/dbraw/zinc/13/11/63/655131163.db2.gz BZPKSAQGEPDJMH-LBPRGKRZSA-N 1 0 377.286 2.911 20 0 GFADRO C[N@@H+]1CCC[C@H](CNC(=O)c2ccc(-n3cc(Br)cn3)cc2)C1 ZINC000108345293 655131758 /nfs/dbraw/zinc/13/17/58/655131758.db2.gz OTVCMTXAHOZVRC-CYBMUJFWSA-N 1 0 377.286 2.706 20 0 GFADRO Cn1ncc(C(=O)Nc2ccccc2CN2CCSCC2)c1Br ZINC000273276015 655137417 /nfs/dbraw/zinc/13/74/17/655137417.db2.gz VYTKADXYRKYFAS-UHFFFAOYSA-N 1 0 395.326 2.984 20 0 GFADRO C[N@@H+]1CCC[C@H]2CN(Cn3c4ccc(Br)cc4oc3=O)CC[C@@H]21 ZINC000164661328 655138072 /nfs/dbraw/zinc/13/80/72/655138072.db2.gz PURAWBOZPYGYEU-JSGCOSHPSA-N 1 0 380.286 2.731 20 0 GFADRO CS(=O)(=O)c1cccc(Cl)c1C[NH2+][C@H]1CCO[C@@]2(CCSC2)C1 ZINC000273505932 655145783 /nfs/dbraw/zinc/14/57/83/655145783.db2.gz WBTKVAMZWMNAMZ-LRDDRELGSA-N 1 0 375.943 2.888 20 0 GFADRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)Nc1cc(Cl)c(N)c(Cl)c1 ZINC000839481854 661086028 /nfs/dbraw/zinc/08/60/28/661086028.db2.gz SWUQXLQQIPSWLF-GFCCVEGCSA-N 1 0 387.311 2.895 20 0 GFADRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cnc3ccc(Br)cn23)[C@]12CCCO2 ZINC000273599800 655150234 /nfs/dbraw/zinc/15/02/34/655150234.db2.gz LPVCWBYLTLTODD-BFYDXBDKSA-N 1 0 380.286 2.913 20 0 GFADRO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)c1cnn(C)c1Br ZINC000273659877 655152811 /nfs/dbraw/zinc/15/28/11/655152811.db2.gz VXJCPROOPGQZDE-UHFFFAOYSA-N 1 0 399.255 2.919 20 0 GFADRO O=C(CCC[NH+]1CCN(c2ccccc2)CC1)NCCSC(F)(F)F ZINC000171850927 655154647 /nfs/dbraw/zinc/15/46/47/655154647.db2.gz VIDSVARMKSVIGR-UHFFFAOYSA-N 1 0 375.460 2.958 20 0 GFADRO CC[N@@H+]1CCCN(C(=O)[C@@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)CC1 ZINC000110814672 655159966 /nfs/dbraw/zinc/15/99/66/655159966.db2.gz VKYLNSOQFJFARV-AWEZNQCLSA-N 1 0 384.307 2.901 20 0 GFADRO CC[C@@H](C)[C@@H](NC(=O)C[NH2+]C1(c2ccc(Br)cc2)CC1)C(=O)OC ZINC000173273880 655166537 /nfs/dbraw/zinc/16/65/37/655166537.db2.gz ILWOTTUHNMZVGQ-MLGOLLRUSA-N 1 0 397.313 2.732 20 0 GFADRO C[N@H+](CCO)C1CCN(C(=O)Nc2cc(F)c(Br)cc2F)CC1 ZINC000274105108 655173194 /nfs/dbraw/zinc/17/31/94/655173194.db2.gz YSDVOVPDCAXZMY-UHFFFAOYSA-N 1 0 392.244 2.648 20 0 GFADRO CC[C@@H](CO)[NH+]1CCN(CC(=O)Nc2c(Cl)cc(Cl)cc2Cl)CC1 ZINC000173741422 655178944 /nfs/dbraw/zinc/17/89/44/655178944.db2.gz MWLCZGHJIVWIBQ-LBPRGKRZSA-N 1 0 394.730 2.974 20 0 GFADRO Cc1cc(Br)cc(C(=O)N(C)CC[N@H+](C)C2CCN(C)CC2)c1 ZINC000274270426 655182896 /nfs/dbraw/zinc/18/28/96/655182896.db2.gz FBSBATQCWUOKJR-UHFFFAOYSA-N 1 0 382.346 2.856 20 0 GFADRO CNC(=O)CC1CC[NH+](Cn2ccc(=O)c3cccc(Br)c32)CC1 ZINC000173907139 655184604 /nfs/dbraw/zinc/18/46/04/655184604.db2.gz DGORVPRIBNMTAC-UHFFFAOYSA-N 1 0 392.297 2.570 20 0 GFADRO COc1ccc(Br)cc1CNC(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000173914012 655185177 /nfs/dbraw/zinc/18/51/77/655185177.db2.gz QKXSZKHWHLGOSX-UHFFFAOYSA-N 1 0 396.289 2.538 20 0 GFADRO CCCC[N@H+](C)CCNC(=O)[C@@H]1CCN(c2ccccc2Br)C1=O ZINC000112311173 655188447 /nfs/dbraw/zinc/18/84/47/655188447.db2.gz WUEFZYCFLVVSOL-AWEZNQCLSA-N 1 0 396.329 2.650 20 0 GFADRO CCC[NH+]1CCC(CNS(=O)(=O)Cc2ccc(Br)cc2)CC1 ZINC000174007603 655189985 /nfs/dbraw/zinc/18/99/85/655189985.db2.gz GLPZSRZPMMATDT-UHFFFAOYSA-N 1 0 389.359 2.991 20 0 GFADRO C[NH+](C)CCN(C(=O)CCn1cc(Br)ccc1=O)c1ccccc1 ZINC000112885219 655198992 /nfs/dbraw/zinc/19/89/92/655198992.db2.gz FICUKCXEKJGVDL-UHFFFAOYSA-N 1 0 392.297 2.596 20 0 GFADRO C[C@@H](CNC(=O)Nc1ccc(F)c(Br)c1)C[NH+]1CCN(C)CC1 ZINC000174422343 655202052 /nfs/dbraw/zinc/20/20/52/655202052.db2.gz MECNVFDTXXUWHT-LBPRGKRZSA-N 1 0 387.297 2.593 20 0 GFADRO O=C(CC[N@H+]1CC[C@](O)(C(F)(F)F)C1)Nc1ccc(Br)cc1 ZINC000174749791 655207373 /nfs/dbraw/zinc/20/73/73/655207373.db2.gz GABGGCCRFVKBOR-CYBMUJFWSA-N 1 0 381.192 2.777 20 0 GFADRO C[C@@H]([NH2+]C1(CNS(=O)(=O)c2cccs2)CCOCC1)c1ccccc1 ZINC000113306281 655208047 /nfs/dbraw/zinc/20/80/47/655208047.db2.gz RLHLHIPOPNZCFJ-OAHLLOKOSA-N 1 0 380.535 2.926 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CC[NH2+]Cc1cccc(C(N)=O)c1 ZINC000113353681 655208252 /nfs/dbraw/zinc/20/82/52/655208252.db2.gz UGBLQHLZQKEHOM-UHFFFAOYSA-N 1 0 390.281 2.975 20 0 GFADRO C[N@@H+]1CCCN(C(=O)c2ccc(I)c(Cl)c2)CC1 ZINC000174929829 655210416 /nfs/dbraw/zinc/21/04/16/655210416.db2.gz MEQJOZQZOQWOIZ-UHFFFAOYSA-N 1 0 378.641 2.722 20 0 GFADRO C[NH+](C)C[C@H]1CCN(C(=O)C(=O)Nc2cc(Cl)c(Cl)cc2Cl)C1 ZINC000113645304 655213260 /nfs/dbraw/zinc/21/32/60/655213260.db2.gz ZDLDBBLIPINZMI-SECBINFHSA-N 1 0 378.687 2.995 20 0 GFADRO COC(=O)c1cc(S(=O)(=O)NCCC[NH+]2CCCC2)c(Cl)cc1Cl ZINC000175197882 655215265 /nfs/dbraw/zinc/21/52/65/655215265.db2.gz FUZMIMHKFBSJFI-UHFFFAOYSA-N 1 0 395.308 2.544 20 0 GFADRO C[NH+](C)C1(CNS(=O)(=O)Cc2ccc(Cl)c(Cl)c2)CCOCC1 ZINC000114211187 655218482 /nfs/dbraw/zinc/21/84/82/655218482.db2.gz YRGOLRLNXMJJSO-UHFFFAOYSA-N 1 0 381.325 2.524 20 0 GFADRO CC[NH+](CC)CCCNC(=O)c1cc(=O)c2cc(Br)ccc2[nH]1 ZINC000114675258 655227040 /nfs/dbraw/zinc/22/70/40/655227040.db2.gz BNQFPWONAPIFJH-UHFFFAOYSA-N 1 0 380.286 2.752 20 0 GFADRO O=C(CCc1cc(Br)cs1)N1CC[NH+](C2CCOCC2)CC1 ZINC000175843793 655228456 /nfs/dbraw/zinc/22/84/56/655228456.db2.gz CISRRJFRVHOOID-UHFFFAOYSA-N 1 0 387.343 2.766 20 0 GFADRO CCCN(CC[NH+]1CCCC1)C(=O)C(=O)Nc1cc(Cl)c(N)c(Cl)c1 ZINC000839551119 661091557 /nfs/dbraw/zinc/09/15/57/661091557.db2.gz BPJVHWUQEISIHL-UHFFFAOYSA-N 1 0 387.311 2.849 20 0 GFADRO CSc1nnc(CNC(=O)N[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)s1 ZINC000275379655 655232736 /nfs/dbraw/zinc/23/27/36/655232736.db2.gz CXJFSBHGPQQANE-JSGCOSHPSA-N 1 0 377.539 2.722 20 0 GFADRO C[NH+](C)Cc1cccc(CNC(=O)c2cc(I)c[nH]2)c1 ZINC000115326712 655235157 /nfs/dbraw/zinc/23/51/57/655235157.db2.gz ZXPZGAIEJZGOCC-UHFFFAOYSA-N 1 0 383.233 2.611 20 0 GFADRO CCOCCC[N@@H+]1CC[C@@H](NS(=O)(=O)Cc2ccccc2Cl)[C@H](C)C1 ZINC000115591694 655240123 /nfs/dbraw/zinc/24/01/23/655240123.db2.gz WHPGJOOVVWWMBO-CRAIPNDOSA-N 1 0 388.961 2.896 20 0 GFADRO CCOCCC[N@@H+]1CC[C@@H](NS(=O)(=O)c2ccc(SC)cc2)[C@H](C)C1 ZINC000115592175 655240204 /nfs/dbraw/zinc/24/02/04/655240204.db2.gz SYTWPWLMROPDQO-CRAIPNDOSA-N 1 0 386.583 2.824 20 0 GFADRO CC(C)[N@H+](C)CCNC(=O)NCCOc1ncc(C(F)(F)F)cc1Cl ZINC000176464907 655246359 /nfs/dbraw/zinc/24/63/59/655246359.db2.gz POHMQVCPSYGGFG-UHFFFAOYSA-N 1 0 382.814 2.772 20 0 GFADRO CC1CC[NH+](C[C@@H](O)CNC(=O)c2cc3cc(Br)ccc3[nH]2)CC1 ZINC000116449352 655247923 /nfs/dbraw/zinc/24/79/23/655247923.db2.gz GDHHQFLEMXSVFZ-HNNXBMFYSA-N 1 0 394.313 2.753 20 0 GFADRO Cn1ccnc1Sc1ncc(C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)cc1Cl ZINC000116613339 655250323 /nfs/dbraw/zinc/25/03/23/655250323.db2.gz AQCQERMLEXMWAR-LBPRGKRZSA-N 1 0 377.901 2.586 20 0 GFADRO COCCOC1CC[NH+](C[C@@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000116885497 655255370 /nfs/dbraw/zinc/25/53/70/655255370.db2.gz RRDLBVBYYXSLQK-CYBMUJFWSA-N 1 0 378.296 2.861 20 0 GFADRO CN(C)C(=O)c1ccc(C[NH2+][C@@H]2CCN(c3ccccc3Br)C2)[nH]1 ZINC000176766271 655255664 /nfs/dbraw/zinc/25/56/64/655255664.db2.gz XYYYVYDAVCUUIV-CQSZACIVSA-N 1 0 391.313 2.848 20 0 GFADRO Cc1nc(C)c(S(=O)(=O)NCC2CC[NH+](Cc3ccccc3)CC2)s1 ZINC000176844937 655257947 /nfs/dbraw/zinc/25/79/47/655257947.db2.gz YHVSSMOGWFDQRX-UHFFFAOYSA-N 1 0 379.551 2.950 20 0 GFADRO Cc1cc(N2CCC([NH2+]Cc3cc4c(c(Br)c3)OCO4)CC2)n[nH]1 ZINC000276001330 655258380 /nfs/dbraw/zinc/25/83/80/655258380.db2.gz KZALDKJMYDPYOJ-UHFFFAOYSA-N 1 0 393.285 2.968 20 0 GFADRO CN(C)C(=O)CC[N@H+](C)Cc1cccc(Br)c1OCC(C)(C)O ZINC000276134689 655263934 /nfs/dbraw/zinc/26/39/34/655263934.db2.gz MCYJQGGFQDQLOO-UHFFFAOYSA-N 1 0 387.318 2.509 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)c2ccn(-c3cccc(Br)c3)n2)C[N@@H+]1C1CC1 ZINC000177074166 655267213 /nfs/dbraw/zinc/26/72/13/655267213.db2.gz HDTSCWYSGHMHCI-OCCSQVGLSA-N 1 0 389.297 2.990 20 0 GFADRO CC(C)[N@H+](C)CCNC(=O)c1nn(-c2ccc(F)cc2)cc1Br ZINC000117804045 655268089 /nfs/dbraw/zinc/26/80/89/655268089.db2.gz NBYJWIHQYAWYQS-UHFFFAOYSA-N 1 0 383.265 2.844 20 0 GFADRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)CCN2C(=S)N=NC2c2cccs2)C1 ZINC000839791633 661107309 /nfs/dbraw/zinc/10/73/09/661107309.db2.gz JSRAMBZQVNAJAU-ZDUSSCGKSA-N 1 0 379.555 2.627 20 0 GFADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)C[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000177146109 655270010 /nfs/dbraw/zinc/27/00/10/655270010.db2.gz AMDYNNWTDGUBRU-HOTGVXAUSA-N 1 0 375.296 2.644 20 0 GFADRO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1ccc(Br)cc1Cl ZINC000118116817 655272154 /nfs/dbraw/zinc/27/21/54/655272154.db2.gz IUFXNKDLIPLKBR-JTQLQIEISA-N 1 0 390.709 2.888 20 0 GFADRO C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)C1 ZINC000177544989 655280452 /nfs/dbraw/zinc/28/04/52/655280452.db2.gz HXXLMASSYVZZAL-LLVKDONJSA-N 1 0 377.794 2.850 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)c2csc(I)c2)C1 ZINC000177545533 655280741 /nfs/dbraw/zinc/28/07/41/655280741.db2.gz MYGCXYRTOYAOHM-GHMZBOCLSA-N 1 0 378.279 2.955 20 0 GFADRO Cc1ccc(NC(=O)C(=O)NC[C@H](C)C[NH+]2CCCCC2)c(Br)c1 ZINC000118896134 655282992 /nfs/dbraw/zinc/28/29/92/655282992.db2.gz WIZHVLUEBYMDCP-AWEZNQCLSA-N 1 0 396.329 2.934 20 0 GFADRO CCN(CCC[NH+]1CCCC1)S(=O)(=O)c1ccc(NC(C)=O)c(Cl)c1 ZINC000276692158 655283914 /nfs/dbraw/zinc/28/39/14/655283914.db2.gz MVFNGDZYRVONNA-UHFFFAOYSA-N 1 0 387.933 2.795 20 0 GFADRO C[C@@H](CNC(=O)[C@@H]([NH3+])Cc1ccccc1)Oc1ccccc1Br ZINC000118982714 655285882 /nfs/dbraw/zinc/28/58/82/655285882.db2.gz CKQLDWMOZWERMV-BBRMVZONSA-N 1 0 377.282 2.903 20 0 GFADRO COc1ccc(C(=O)NCCC[NH+]2CCCC2)c(I)c1 ZINC000177751713 655287617 /nfs/dbraw/zinc/28/76/17/655287617.db2.gz MXWFRTDEQCWKTH-UHFFFAOYSA-N 1 0 388.249 2.516 20 0 GFADRO C[C@@H](C(=O)Nc1cccc(Br)c1)[N@@H+]1CCC[C@H](Cn2ccnn2)C1 ZINC000119050359 655288105 /nfs/dbraw/zinc/28/81/05/655288105.db2.gz ONFRAUMPCNZPRA-KBPBESRZSA-N 1 0 392.301 2.780 20 0 GFADRO C[C@H](NC(=O)Cc1ccc(I)cc1)C1=CC[N@H+](C)CC1 ZINC000276860401 655291033 /nfs/dbraw/zinc/29/10/33/655291033.db2.gz FWXMRPBJBNYTDP-LBPRGKRZSA-N 1 0 384.261 2.600 20 0 GFADRO Cn1cc(Br)cc(NC(=O)NC[C@H](c2ccccc2)[NH+](C)C)c1=O ZINC000177966576 655292975 /nfs/dbraw/zinc/29/29/75/655292975.db2.gz KXBXFCRLSSUZAS-OAHLLOKOSA-N 1 0 393.285 2.572 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(=O)Nc2nc(-c3cccs3)cs2)C1 ZINC000178013542 655295572 /nfs/dbraw/zinc/29/55/72/655295572.db2.gz XFCXJKNTXLRCRR-VXGBXAGGSA-N 1 0 378.523 2.799 20 0 GFADRO C[NH+](C)[C@@H]1CCCN(C(=O)Nc2ccncc2I)CC1 ZINC000277008067 655298008 /nfs/dbraw/zinc/29/80/08/655298008.db2.gz AKUIKQFDYFRFSU-LLVKDONJSA-N 1 0 388.253 2.634 20 0 GFADRO CC(C)([NH3+])CC(=O)NCCSCCOc1cccc(Br)c1 ZINC000178545623 655304514 /nfs/dbraw/zinc/30/45/14/655304514.db2.gz OOFWJYADDMSVIP-UHFFFAOYSA-N 1 0 375.332 2.805 20 0 GFADRO CCn1cc(Br)cc1C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000178740580 655308710 /nfs/dbraw/zinc/30/87/10/655308710.db2.gz LACRNGMALWQLNE-RDJZCZTQSA-N 1 0 398.345 2.768 20 0 GFADRO C[N@H+](CCNC(=O)C(=O)Nc1cc(F)ccc1Br)C1CCCC1 ZINC000119640556 655309451 /nfs/dbraw/zinc/30/94/51/655309451.db2.gz IPCUYPUHPCHACJ-UHFFFAOYSA-N 1 0 386.265 2.517 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ccccc2Br)[C@H](C)C1 ZINC000119704217 655311639 /nfs/dbraw/zinc/31/16/39/655311639.db2.gz VVGAQTXIEWBEGJ-DOMZBBRYSA-N 1 0 382.302 2.576 20 0 GFADRO C[NH+](C)CCN(Cc1cccs1)C(=O)NCCOc1ccc(Cl)cn1 ZINC000119748363 655313570 /nfs/dbraw/zinc/31/35/70/655313570.db2.gz ZQEBKZRHXLABOR-UHFFFAOYSA-N 1 0 382.917 2.949 20 0 GFADRO Brc1ccc(-n2cc(C[NH+]3CCC4(CC3)OCCO4)cn2)cc1 ZINC000179947003 655319781 /nfs/dbraw/zinc/31/97/81/655319781.db2.gz ARENCTFKVJADNI-UHFFFAOYSA-N 1 0 378.270 2.974 20 0 GFADRO C[NH+](C)CCN(Cc1cccs1)C(=O)NCCOCC(F)(F)C(F)F ZINC000277448425 655319972 /nfs/dbraw/zinc/31/99/72/655319972.db2.gz KEWBMYGRLQGWFI-UHFFFAOYSA-N 1 0 385.427 2.738 20 0 GFADRO COc1cc(Br)c(CNCCC[N@@H+]2CCCO[C@@H](C)C2)cc1O ZINC000277475239 655321811 /nfs/dbraw/zinc/32/18/11/655321811.db2.gz MJJWEJHVBAQTHA-ZDUSSCGKSA-N 1 0 387.318 2.754 20 0 GFADRO COc1ccc(S(=O)(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)cc1 ZINC000119971164 655323378 /nfs/dbraw/zinc/32/33/78/655323378.db2.gz GONDJHNWLSHMBN-HNNXBMFYSA-N 1 0 380.535 2.947 20 0 GFADRO O=C(NNc1cc[nH+]cc1)c1cc(F)c(F)cc1I ZINC000180486016 655327278 /nfs/dbraw/zinc/32/72/78/655327278.db2.gz XDJQBTBGDMMLOK-UHFFFAOYSA-N 1 0 375.116 2.721 20 0 GFADRO CC[N@@H+]1CCC[C@H](CNS(=O)(=O)Cc2ccc(Br)cc2)C1 ZINC000120131031 655328783 /nfs/dbraw/zinc/32/87/83/655328783.db2.gz HSFYAHSYPHFMPU-CQSZACIVSA-N 1 0 375.332 2.600 20 0 GFADRO CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+]CC2([S@@](C)=O)CCC2)cc1 ZINC000281137234 655332708 /nfs/dbraw/zinc/33/27/08/655332708.db2.gz UFNDEYZFLKBZRA-IZHWHUGBSA-N 1 0 386.583 2.669 20 0 GFADRO CC(C)[C@@H](CNC(=O)CCc1ccccc1Br)[NH+]1CCN(C)CC1 ZINC000120474368 655336588 /nfs/dbraw/zinc/33/65/88/655336588.db2.gz VKVVPTCTCAEFNI-GOSISDBHSA-N 1 0 396.373 2.770 20 0 GFADRO C[C@@H]1C[C@H](NCc2nnc(-c3ccc(Br)cc3)[nH]2)C[N@@H+]1C1CC1 ZINC000120487186 655337069 /nfs/dbraw/zinc/33/70/69/655337069.db2.gz POXWPXGAOHGFQE-RISCZKNCSA-N 1 0 376.302 2.949 20 0 GFADRO CC[N@@H+]1CCCC[C@@H]1CNS(=O)(=O)Cc1ccc(Br)cc1 ZINC000120515231 655337747 /nfs/dbraw/zinc/33/77/47/655337747.db2.gz FCJXANDBZBPEQC-OAHLLOKOSA-N 1 0 375.332 2.743 20 0 GFADRO O=C(Nc1cccnc1Br)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000120525089 655338141 /nfs/dbraw/zinc/33/81/41/655338141.db2.gz HSMGDQHEGSXPEZ-HUUCEWRRSA-N 1 0 397.317 2.734 20 0 GFADRO C[C@H]([NH2+]C[C@H]1CCCN(S(C)(=O)=O)C1)c1cccc(OC(F)(F)F)c1 ZINC000181903637 655341282 /nfs/dbraw/zinc/34/12/82/655341282.db2.gz MGYPEGKAOWBUSY-QWHCGFSZSA-N 1 0 380.432 2.907 20 0 GFADRO COC(=O)CC[N@H+](CN1CC[C@@H](c2cccc(Br)c2)C1=O)C(C)C ZINC000839995770 661122541 /nfs/dbraw/zinc/12/25/41/661122541.db2.gz OAWJSLWFDYSPLC-INIZCTEOSA-N 1 0 397.313 2.996 20 0 GFADRO COc1cccc(S(=O)(=O)CC[NH2+][C@@H](c2cccs2)C(C)(C)CO)c1 ZINC000289250760 655344909 /nfs/dbraw/zinc/34/49/09/655344909.db2.gz CHFKGXNGGVLJGK-KRWDZBQOSA-N 1 0 383.535 2.880 20 0 GFADRO CN(C)CC[N@H+](C)CCCN(C)CC(=O)Nc1c(Cl)cccc1Cl ZINC000289356390 655347476 /nfs/dbraw/zinc/34/74/76/655347476.db2.gz GUFOPSBSBWEMCM-UHFFFAOYSA-N 1 0 375.344 2.747 20 0 GFADRO O=c1nc([C@H]2CCC[N@@H+](Cc3ccc(Br)c4cccnc34)C2)[nH][nH]1 ZINC000289421711 655348861 /nfs/dbraw/zinc/34/88/61/655348861.db2.gz MVCGOIXOCMATOB-LBPRGKRZSA-N 1 0 388.269 2.788 20 0 GFADRO COc1cc(/C=C/C(=O)NCC[NH+]2CCCCC2)cc(Br)c1O ZINC000183408632 655351343 /nfs/dbraw/zinc/35/13/43/655351343.db2.gz USJQBTCFOGSOSP-AATRIKPKSA-N 1 0 383.286 2.779 20 0 GFADRO C[NH+](C)CC(C)(C)CNS(=O)(=O)/C=C/c1ccc(Br)cc1 ZINC000184088257 655355013 /nfs/dbraw/zinc/35/50/13/655355013.db2.gz YRUPRMUSLXMCMI-MDZDMXLPSA-N 1 0 375.332 2.927 20 0 GFADRO C[C@H](C[NH2+][C@H](C)c1cc(Br)cc(F)c1[O-])CN1CC[NH+](C)CC1 ZINC000185344191 655363913 /nfs/dbraw/zinc/36/39/13/655363913.db2.gz ZGHZPKQZTMWMFH-CHWSQXEVSA-N 1 0 388.325 2.828 20 0 GFADRO C[C@@](O)(C[N@@H+]1CC[C@@](C)(C(N)=O)C1)c1ccc(Br)cc1Cl ZINC000293992744 655364101 /nfs/dbraw/zinc/36/41/01/655364101.db2.gz FNGINLCPMDPPHB-HUUCEWRRSA-N 1 0 375.694 2.507 20 0 GFADRO COc1cc([C@@H](C)[NH2+]CC2(CO)CCCC2)ccc1S(=O)(=O)C(F)F ZINC000186479198 655369840 /nfs/dbraw/zinc/36/98/40/655369840.db2.gz KGGUYZHSSFCJJW-GFCCVEGCSA-N 1 0 377.453 2.895 20 0 GFADRO O=C(NCCc1cccc(Br)c1)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC000297406200 655370562 /nfs/dbraw/zinc/37/05/62/655370562.db2.gz OWAHSUPTQQMSLL-QGZVFWFLSA-N 1 0 381.314 2.751 20 0 GFADRO Cc1cc(Br)cc([C@H](C)[NH2+]C[C@H]2CCCN2S(C)(=O)=O)c1O ZINC000187396379 655374157 /nfs/dbraw/zinc/37/41/57/655374157.db2.gz VPQWNKUAFZKAOF-WCQYABFASA-N 1 0 391.331 2.538 20 0 GFADRO CS[C@@H]1CN(CCC(=O)N2CCc3sccc3C2)C[C@@H]1[NH+]1CCCC1 ZINC000299369576 655374964 /nfs/dbraw/zinc/37/49/64/655374964.db2.gz QDDGIHSHCDTBLN-FUHWJXTLSA-N 1 0 379.595 2.535 20 0 GFADRO Cc1ccc(Br)nc1C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000188435269 655379835 /nfs/dbraw/zinc/37/98/35/655379835.db2.gz MQZRWNFTBFWYTJ-GJZGRUSLSA-N 1 0 396.329 2.650 20 0 GFADRO COc1ccc(S(=O)(=O)NC[C@@H](C)[NH+]2CCCCC2)cc1Br ZINC000314932146 655380760 /nfs/dbraw/zinc/38/07/60/655380760.db2.gz PGCTWUJRSZGLLX-GFCCVEGCSA-N 1 0 391.331 2.610 20 0 GFADRO O=c1c(Br)c(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cnn1CC(F)(F)F ZINC000322440933 655382988 /nfs/dbraw/zinc/38/29/88/655382988.db2.gz CPPRXVAUACSJAI-ZJUUUORDSA-N 1 0 395.223 2.607 20 0 GFADRO CCN(CCC[NH+](CC)CC)C(=O)c1cc([N+](=O)[O-])ncc1Br ZINC000323211734 655383586 /nfs/dbraw/zinc/38/35/86/655383586.db2.gz NQHXRINMLLOVMA-UHFFFAOYSA-N 1 0 387.278 2.946 20 0 GFADRO CN1C(=O)N(C[C@H]2CC[N@@H+](C3CC3)C2)C(=O)[C@@H]1c1cccc(Br)c1 ZINC000349215638 655388560 /nfs/dbraw/zinc/38/85/60/655388560.db2.gz GLGZWJDFMCKPCI-LRDDRELGSA-N 1 0 392.297 2.869 20 0 GFADRO CC1CC[NH+]([C@@H](CN2C(=O)N[C@]3(CCSC3)C2=O)c2cccs2)CC1 ZINC000349305998 655389197 /nfs/dbraw/zinc/38/91/97/655389197.db2.gz RUKLCICEACSGNC-KSSFIOAISA-N 1 0 379.551 2.949 20 0 GFADRO C[C@H](CN1C(=O)CN(Cc2cccc(Br)c2)C1=O)C[NH+]1CCCC1 ZINC000349390632 655389974 /nfs/dbraw/zinc/38/99/74/655389974.db2.gz DZGNPTNHDYPGFF-AWEZNQCLSA-N 1 0 394.313 2.945 20 0 GFADRO O=C(Nc1ccc(Cl)cn1)C(=O)NC1CC[NH+](Cc2cccs2)CC1 ZINC000365695488 655394908 /nfs/dbraw/zinc/39/49/08/655394908.db2.gz OOBKWRMWCBUMMT-UHFFFAOYSA-N 1 0 378.885 2.516 20 0 GFADRO Cc1nc(SCC(=O)NC[C@H]2CC[N@@H+](C)[C@H]2c2cccc(Cl)c2)n[nH]1 ZINC000365697477 655395051 /nfs/dbraw/zinc/39/50/51/655395051.db2.gz YEZZWPWQFQYICJ-CJNGLKHVSA-N 1 0 379.917 2.668 20 0 GFADRO C[C@@H](C(=O)Nc1ccc(Br)cc1)N1CC[NH+]([C@H]2CCSC2)CC1 ZINC000365894407 655395993 /nfs/dbraw/zinc/39/59/93/655395993.db2.gz SLMIQVHHXFJKRF-BBRMVZONSA-N 1 0 398.370 2.899 20 0 GFADRO COCC[N@@H+]1CCC[C@H](NC(=O)c2ccc(Cl)cc2Br)C1 ZINC000398917365 655402536 /nfs/dbraw/zinc/40/25/36/655402536.db2.gz QFTDOVICFOYBRR-LBPRGKRZSA-N 1 0 375.694 2.943 20 0 GFADRO Cn1nc(Br)cc1C(=O)Nc1ccccc1OCCn1ccnc1 ZINC000192224661 655403686 /nfs/dbraw/zinc/40/36/86/655403686.db2.gz FQMORTJBVXQFGX-UHFFFAOYSA-N 1 0 390.241 2.710 20 0 GFADRO CC(C)(COc1ncc(Cl)cc1Cl)NC(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000418329053 655405628 /nfs/dbraw/zinc/40/56/28/655405628.db2.gz ALXOXVATKZCDGV-NSHDSACASA-N 1 0 375.300 2.845 20 0 GFADRO C[C@@H](NC(=O)N1CCN(c2cccc(Br)c2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000418350844 655405732 /nfs/dbraw/zinc/40/57/32/655405732.db2.gz SWGMGCJXDYVKLW-HUUCEWRRSA-N 1 0 395.345 2.669 20 0 GFADRO C[C@@H](NC(=O)N1CCN(c2cccc(Br)c2)CC1)[C@H]1CCC[NH2+]C1 ZINC000418350836 655405768 /nfs/dbraw/zinc/40/57/68/655405768.db2.gz SWGMGCJXDYVKLW-CABCVRRESA-N 1 0 395.345 2.669 20 0 GFADRO C[C@H](NC(=O)N[C@@H](CCO)c1ccccc1Br)[C@@H]1CCC[NH2+]C1 ZINC000418349783 655405774 /nfs/dbraw/zinc/40/57/74/655405774.db2.gz SFWZKVXOVIJIQE-ZENOOKHLSA-N 1 0 384.318 2.560 20 0 GFADRO COc1ccc(Br)c(CN(C)C(=O)NCC[C@H]2CCC[NH2+]C2)c1 ZINC000418355749 655405831 /nfs/dbraw/zinc/40/58/31/655405831.db2.gz XIYOHPHTCRTMQT-CYBMUJFWSA-N 1 0 384.318 2.989 20 0 GFADRO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1c1ccc(-c2ccc(Br)s2)nn1 ZINC000418997936 655406305 /nfs/dbraw/zinc/40/63/05/655406305.db2.gz LVBDEXHIVXACOY-RYUDHWBXSA-N 1 0 397.342 2.859 20 0 GFADRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000193434329 655410341 /nfs/dbraw/zinc/41/03/41/655410341.db2.gz CAQHOZRNXLOOIC-UHFFFAOYSA-N 1 0 381.841 2.638 20 0 GFADRO Cc1ccc(-n2nc(Br)cc2C(=O)N[C@H]2CCC[NH2+][C@H]2C)cc1 ZINC000193506858 655410754 /nfs/dbraw/zinc/41/07/54/655410754.db2.gz SJDYQHUEGGQZFP-JSGCOSHPSA-N 1 0 377.286 2.814 20 0 GFADRO CC[NH+](CC)Cc1cccc(NC(=O)C(=O)NCCSC(F)(F)F)c1 ZINC000193729869 655412001 /nfs/dbraw/zinc/41/20/01/655412001.db2.gz WRNSADUBJZWSIC-UHFFFAOYSA-N 1 0 377.432 2.836 20 0 GFADRO O=C(NCC[N@H+]1CC=CCC1)N[C@@H]1CCN(c2ccccc2Br)C1 ZINC000474382758 655415665 /nfs/dbraw/zinc/41/56/65/655415665.db2.gz WIDMNSJIVFEOME-OAHLLOKOSA-N 1 0 393.329 2.589 20 0 GFADRO O[C@H](COc1cc(F)cc(Br)c1)C[N@@H+]1CC[C@H](O)CC12CCC2 ZINC000517913016 655419080 /nfs/dbraw/zinc/41/90/80/655419080.db2.gz VRSXZQNXGRGEOG-GJZGRUSLSA-N 1 0 388.277 2.707 20 0 GFADRO CCOc1ccc(S(=O)(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)cc1Br ZINC000517935182 655419399 /nfs/dbraw/zinc/41/93/99/655419399.db2.gz MZSCWDXRRCBRGN-NWDGAFQWSA-N 1 0 391.331 2.644 20 0 GFADRO CCOC[C@H]1C(=O)N([C@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)C(=O)N1C ZINC000530209073 655420213 /nfs/dbraw/zinc/42/02/13/655420213.db2.gz CPGSJXGOTUESJN-CABCVRRESA-N 1 0 388.295 2.895 20 0 GFADRO COC[C@H]([NH2+][C@H](C)C(=O)Nc1cccc(I)c1)C(C)C ZINC000541596142 655421360 /nfs/dbraw/zinc/42/13/60/655421360.db2.gz ITRBXTPQWRTQRU-RISCZKNCSA-N 1 0 390.265 2.879 20 0 GFADRO C[C@@H](NC(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C)c1ncc(Br)cn1 ZINC000562670503 655423764 /nfs/dbraw/zinc/42/37/64/655423764.db2.gz BWORJFGRMHEYMV-OCCSQVGLSA-N 1 0 384.322 2.816 20 0 GFADRO CCn1cccc(C[NH2+]CCC(=O)Nc2ccc(Br)cc2)c1=O ZINC000566063831 655424507 /nfs/dbraw/zinc/42/45/07/655424507.db2.gz NADXUWYRFZWRBH-UHFFFAOYSA-N 1 0 378.270 2.749 20 0 GFADRO C[C@@H]1C[N@H+](C(C)(C)CNc2ccc(I)cn2)C[C@H](C)O1 ZINC000567203762 655425209 /nfs/dbraw/zinc/42/52/09/655425209.db2.gz FBIBDLKYANTZPE-TXEJJXNPSA-N 1 0 389.281 2.986 20 0 GFADRO COc1cc(Br)c(S(=O)(=O)NC2CCC([NH3+])CC2)cc1Cl ZINC000237199731 655425851 /nfs/dbraw/zinc/42/58/51/655425851.db2.gz XQKHUCDPWAJBSH-UHFFFAOYSA-N 1 0 397.722 2.659 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)CN1C(=S)N=NC1c1ccc(Cl)cc1 ZINC000237430203 655426212 /nfs/dbraw/zinc/42/62/12/655426212.db2.gz IBKJKCUPZGQROZ-FZMZJTMJSA-N 1 0 379.917 2.616 20 0 GFADRO Cc1nc(-c2ccc(Br)cc2)nn1CN1C[C@H]2CC[N@@H+](C)[C@H]2C1 ZINC000840134609 661138829 /nfs/dbraw/zinc/13/88/29/661138829.db2.gz YPIAAIKNYOPQJV-ZBFHGGJFSA-N 1 0 376.302 2.609 20 0 GFADRO CCOc1ccc(S(=O)(=O)N[C@@H](C)C[N@H+](C)C(C)C)cc1Br ZINC000574322543 655429069 /nfs/dbraw/zinc/42/90/69/655429069.db2.gz NTBVJEGOBWVPMZ-LBPRGKRZSA-N 1 0 393.347 2.855 20 0 GFADRO CCCN(CC[NH+]1CCCCC1)C(=O)CCn1cc(Br)ccc1=O ZINC000574346179 655429452 /nfs/dbraw/zinc/42/94/52/655429452.db2.gz BEFDAHCHDVAKCI-UHFFFAOYSA-N 1 0 398.345 2.725 20 0 GFADRO CC(=O)N(c1nn(CN2CCC[C@@H]3C[N@H+](C)CC[C@H]32)c(=S)s1)C1CC1 ZINC000246258404 655429699 /nfs/dbraw/zinc/42/96/99/655429699.db2.gz JCAQNGDCMWWUJC-UKRRQHHQSA-N 1 0 381.571 2.563 20 0 GFADRO C[N@@H+]1CCC[C@H](CNC(=O)C2(c3ccc(I)cc3)CC2)C1 ZINC000574782061 655430627 /nfs/dbraw/zinc/43/06/27/655430627.db2.gz BYGWPNJDASKEHJ-CYBMUJFWSA-N 1 0 398.288 2.781 20 0 GFADRO CO[C@H]1CCN(Cc2cc(Br)ccc2OC(F)F)[C@@H](C[NH3+])C1 ZINC000574813052 655431248 /nfs/dbraw/zinc/43/12/48/655431248.db2.gz NVLXNLJKNGEXAD-OLZOCXBDSA-N 1 0 379.245 2.989 20 0 GFADRO C[C@@]1(O)CCC[N@H+](CN2CC[C@@H](c3cccc(Br)c3)C2=O)CC1 ZINC000840059589 661128378 /nfs/dbraw/zinc/12/83/78/661128378.db2.gz ADAMLDNFDNIRHS-FUHWJXTLSA-N 1 0 381.314 2.959 20 0 GFADRO C[C@](O)(C[NH2+]C[C@@H](CO)Cc1ccccc1OC(F)(F)F)C(F)(F)F ZINC000574989357 655434166 /nfs/dbraw/zinc/43/41/66/655434166.db2.gz OLDKYBJXUJOOEL-GWCFXTLKSA-N 1 0 375.309 2.639 20 0 GFADRO C[C@H](CNC(=O)Cn1c(=S)[nH]nc1-c1cccs1)[N@@H+]1CCC[C@H](C)C1 ZINC000249743022 655434670 /nfs/dbraw/zinc/43/46/70/655434670.db2.gz KFZYSCVOCMMSKY-QWHCGFSZSA-N 1 0 379.555 2.906 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)c2ccc(Cl)cc2Br)CC12CCOCC2 ZINC000575802779 655437378 /nfs/dbraw/zinc/43/73/78/655437378.db2.gz UPAFKIVTYGMFCU-LLVKDONJSA-N 1 0 387.705 2.930 20 0 GFADRO CN(C)S(=O)(=O)N1CCCC[C@H]1C[NH2+]Cc1c(Cl)oc2ccccc21 ZINC000575900779 655439596 /nfs/dbraw/zinc/43/95/96/655439596.db2.gz NAFKXNBLIYUVEU-ZDUSSCGKSA-N 1 0 385.917 2.837 20 0 GFADRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)/C=C\c1ccc(I)o1 ZINC000255565888 655439686 /nfs/dbraw/zinc/43/96/86/655439686.db2.gz XSRBVBFHKHESJB-HHQZKXIDSA-N 1 0 388.249 2.696 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)/C=C\c2ccc(I)o2)C[N@@H+]1C1CC1 ZINC000255863151 655440655 /nfs/dbraw/zinc/44/06/55/655440655.db2.gz XCNBHYWNVFOAEC-PYIHCCSZSA-N 1 0 386.233 2.639 20 0 GFADRO C[C@H]1CCN(S(=O)(=O)c2c(Cl)cccc2Br)C[C@@H]1C[NH3+] ZINC000261850650 655442637 /nfs/dbraw/zinc/44/26/37/655442637.db2.gz WQHUOPDLTVVYIF-UWVGGRQHSA-N 1 0 381.723 2.708 20 0 GFADRO Brc1cccc(C[NH+]2CCC(c3nnc4n3CCNC4)CC2)c1 ZINC000261837980 655442645 /nfs/dbraw/zinc/44/26/45/655442645.db2.gz VXKBKBFJGHLBTE-UHFFFAOYSA-N 1 0 376.302 2.523 20 0 GFADRO O=C(Nc1ccc(I)cc1F)N[C@H]1C[NH2+]CCC1(F)F ZINC000576173210 655445004 /nfs/dbraw/zinc/44/50/04/655445004.db2.gz ITWPRUAWFPYNEP-JTQLQIEISA-N 1 0 399.154 2.549 20 0 GFADRO O=S(=O)(NC[C@H]1[NH2+]CCc2ccccc21)c1ccc(Br)cc1 ZINC000262403202 655445581 /nfs/dbraw/zinc/44/55/81/655445581.db2.gz CLZFHEFVURGVSX-MRXNPFEDSA-N 1 0 381.295 2.614 20 0 GFADRO O=C(NCC[C@H]1CCC[NH2+]C1)N[C@H]1COc2cc(F)c(Br)cc21 ZINC000576373576 655446187 /nfs/dbraw/zinc/44/61/87/655446187.db2.gz BNRCOARJBBLFJP-YGRLFVJLSA-N 1 0 386.265 2.711 20 0 GFADRO OC[C@@H](Cc1ccc(F)cc1)[NH2+]C[C@H](O)COc1ccc(Br)cc1 ZINC000576518236 655448352 /nfs/dbraw/zinc/44/83/52/655448352.db2.gz WOSGPWDDTMYRGI-SJORKVTESA-N 1 0 398.272 2.521 20 0 GFADRO CCc1cc(Br)cc2sc(NC(=O)C[C@H]3C[NH2+]CCO3)nc21 ZINC000576581384 655449406 /nfs/dbraw/zinc/44/94/06/655449406.db2.gz IEISLEQDYQSLDE-NSHDSACASA-N 1 0 384.299 2.938 20 0 GFADRO O=C(CN1CCC(C[NH+]2CCOCC2)CC1)Nc1ccc(Cl)cc1Cl ZINC000263917091 655453864 /nfs/dbraw/zinc/45/38/64/655453864.db2.gz QUNRHTUPMRSDPV-UHFFFAOYSA-N 1 0 386.323 2.976 20 0 GFADRO CS(=O)(=O)N1CC[C@@H]([NH2+][C@@H]2CCCc3nc(-c4ccccc4)sc32)C1 ZINC000576950213 655455051 /nfs/dbraw/zinc/45/50/51/655455051.db2.gz WWUUSOKXKUCZJF-HUUCEWRRSA-N 1 0 377.535 2.811 20 0 GFADRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1ccccc1-n1cc(Br)cn1 ZINC000577458382 655460104 /nfs/dbraw/zinc/46/01/04/655460104.db2.gz ICHCWQMVLJLWTK-WBMJQRKESA-N 1 0 389.297 2.847 20 0 GFADRO Cc1nc2scc(C3CC3)n2c1C[NH2+][C@H]1CCCC[C@H]1NS(C)(=O)=O ZINC000577477414 655460589 /nfs/dbraw/zinc/46/05/89/655460589.db2.gz UFQFDYKQMUDUGL-UONOGXRCSA-N 1 0 382.555 2.532 20 0 GFADRO COC1(CC[NH2+]CCS(=O)(=O)c2cccc(Br)c2)CCC1 ZINC000577485090 655460728 /nfs/dbraw/zinc/46/07/28/655460728.db2.gz ZQKDULOQUPSJDG-UHFFFAOYSA-N 1 0 376.316 2.772 20 0 GFADRO Cc1nc(CC[NH2+]C[C@H](O)COc2cc(F)cc(Br)c2)cs1 ZINC000577622153 655463268 /nfs/dbraw/zinc/46/32/68/655463268.db2.gz WZVMPPWIMAUKDB-AWEZNQCLSA-N 1 0 389.290 2.925 20 0 GFADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)CSCc1ccc(Cl)cc1Cl ZINC000264431549 655463558 /nfs/dbraw/zinc/46/35/58/655463558.db2.gz MDIIZUCCHDJEMJ-ZDUSSCGKSA-N 1 0 390.380 2.979 20 0 GFADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)CCCOc1cccc(Cl)c1Cl ZINC000264493285 655464936 /nfs/dbraw/zinc/46/49/36/655464936.db2.gz YLNBNLUSVMIYAW-CQSZACIVSA-N 1 0 388.339 2.905 20 0 GFADRO C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)N(C)Cc1cc(Cl)cc(Cl)c1 ZINC000577894001 655468917 /nfs/dbraw/zinc/46/89/17/655468917.db2.gz OORNQUYLAVWJBJ-ZDUSSCGKSA-N 1 0 386.323 2.942 20 0 GFADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)[C@H]1C[C@H]1c1cccc(Cl)c1Cl ZINC000264723650 655469183 /nfs/dbraw/zinc/46/91/83/655469183.db2.gz GVQYMFIOGFXWIQ-YDHLFZDLSA-N 1 0 384.307 2.553 20 0 GFADRO Cc1nnc(CCNC(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)s1 ZINC000577925912 655469629 /nfs/dbraw/zinc/46/96/29/655469629.db2.gz LRYOIGYEIVWYBE-XJKSGUPXSA-N 1 0 379.555 2.833 20 0 GFADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)CSCc1ccc(Cl)cc1Cl ZINC000264750675 655469769 /nfs/dbraw/zinc/46/97/69/655469769.db2.gz MBBMVPWTOVXBOU-CQSZACIVSA-N 1 0 376.353 2.589 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH+]1CC(C)(C(N)=O)C1 ZINC000577953477 655470156 /nfs/dbraw/zinc/47/01/56/655470156.db2.gz XJHGQEKFQNMRPZ-UHFFFAOYSA-N 1 0 377.286 2.559 20 0 GFADRO COc1c(Br)ccc(C)c1C(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000578127333 655473123 /nfs/dbraw/zinc/47/31/23/655473123.db2.gz OODNWHCODNLVRT-UHFFFAOYSA-N 1 0 398.345 2.524 20 0 GFADRO CN(C(=O)Cn1cc(Br)cn1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000264894876 655473206 /nfs/dbraw/zinc/47/32/06/655473206.db2.gz GJJIXFIYTMARIM-UHFFFAOYSA-N 1 0 391.313 2.769 20 0 GFADRO O=C(N[C@@H](Cc1ccccn1)c1ccc(Br)cc1)N1CC[NH2+]CC1 ZINC000578244351 655475005 /nfs/dbraw/zinc/47/50/05/655475005.db2.gz DRXCDOMOVVJLQA-KRWDZBQOSA-N 1 0 389.297 2.743 20 0 GFADRO CS(=O)(=O)N[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc(F)c(C(F)(F)F)cc1F ZINC000578255297 655475135 /nfs/dbraw/zinc/47/51/35/655475135.db2.gz OZDWWSNDUPSKOI-UONOGXRCSA-N 1 0 386.386 2.934 20 0 GFADRO C[C@H](CNC(=O)N[C@@H](C)c1ncc(Br)cn1)[NH+]1CCC(C)CC1 ZINC000578299822 655476071 /nfs/dbraw/zinc/47/60/71/655476071.db2.gz IVLMWBLQDRVYSS-OLZOCXBDSA-N 1 0 384.322 2.720 20 0 GFADRO CCc1ccc(-c2csc(NC(=O)C(=O)NCC[NH+](CC)CC)n2)s1 ZINC000578367420 655477439 /nfs/dbraw/zinc/47/74/39/655477439.db2.gz URIIZBMPGJIWKP-UHFFFAOYSA-N 1 0 380.539 2.831 20 0 GFADRO CC(C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000578497703 655480404 /nfs/dbraw/zinc/48/04/04/655480404.db2.gz YKQVLUPKHFRZBQ-AWEZNQCLSA-N 1 0 386.323 2.928 20 0 GFADRO [NH3+][C@@H]1CCCC[C@H]1CC(=O)NC[C@H](O)COc1cccc(Cl)c1Cl ZINC000578502069 655480582 /nfs/dbraw/zinc/48/05/82/655480582.db2.gz GCQAEBMMCWQYLH-SGMGOOAPSA-N 1 0 375.296 2.757 20 0 GFADRO O=S(=O)(c1ccc(Br)cc1F)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000578532585 655481260 /nfs/dbraw/zinc/48/12/60/655481260.db2.gz UGODDRPGXDJKOY-GFCCVEGCSA-N 1 0 391.306 2.598 20 0 GFADRO C[NH2+][C@@H]1CCCN(C(=O)c2cn(-c3ccc(Br)cc3)nc2C)C1 ZINC000578531000 655481265 /nfs/dbraw/zinc/48/12/65/655481265.db2.gz PKFPPFUTMRACAU-CQSZACIVSA-N 1 0 377.286 2.767 20 0 GFADRO CO[C@@H](C)[C@@H](C)[NH2+][C@@H](C)C(=O)Nc1cccc(I)c1 ZINC000578542992 655481425 /nfs/dbraw/zinc/48/14/25/655481425.db2.gz LTGXAIYHUWLAEO-VWYCJHECSA-N 1 0 376.238 2.631 20 0 GFADRO COCC1(C(=O)Nc2cnn(-c3ncc(Cl)cc3Cl)c2)CC[NH2+]CC1 ZINC000578627883 655483373 /nfs/dbraw/zinc/48/33/73/655483373.db2.gz JKNLOICWYMMAEQ-UHFFFAOYSA-N 1 0 384.267 2.529 20 0 GFADRO COc1cc(Br)ccc1[C@@H](C)NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC000578641789 655483722 /nfs/dbraw/zinc/48/37/22/655483722.db2.gz LIZFFDLDBFMSMM-GFCCVEGCSA-N 1 0 395.301 2.707 20 0 GFADRO C[C@@H](CNC(=O)C(=O)Nc1cccc(Cl)c1SCC(F)F)[NH+](C)C ZINC000265482941 655484208 /nfs/dbraw/zinc/48/42/08/655484208.db2.gz AQELNYWXUAWPNM-VIFPVBQESA-N 1 0 379.860 2.702 20 0 GFADRO CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3cc4c(c(Br)c3)OCO4)[C@@H]2C1 ZINC000578672593 655484417 /nfs/dbraw/zinc/48/44/17/655484417.db2.gz MXHPKMSPAWUDRD-SQWLQELKSA-N 1 0 395.297 2.914 20 0 GFADRO O=C(Nc1ccc2nccnc2c1Br)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000578727510 655485747 /nfs/dbraw/zinc/48/57/47/655485747.db2.gz QZTGJYNJNXBSGN-KRWDZBQOSA-N 1 0 390.285 3.000 20 0 GFADRO O=C(COc1c(Cl)cccc1Cl)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000265644465 655487939 /nfs/dbraw/zinc/48/79/39/655487939.db2.gz XDIVHCNUDHBXDT-ZDUSSCGKSA-N 1 0 387.307 2.989 20 0 GFADRO CSC[C@](C)(O)CNC(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000265673969 655488572 /nfs/dbraw/zinc/48/85/72/655488572.db2.gz BMKRCMXIWFHBOX-GOSISDBHSA-N 1 0 383.583 2.513 20 0 GFADRO O=C(N[C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O)N[C@H]1CCC[NH2+]C1 ZINC000578970327 655490515 /nfs/dbraw/zinc/49/05/15/655490515.db2.gz LKQYQXPBMQBRHN-GXTWGEPZSA-N 1 0 385.295 2.540 20 0 GFADRO OC1(C[NH2+]CC2(c3ccc(Br)cc3)CCOCC2)CCOCC1 ZINC000578996965 655491132 /nfs/dbraw/zinc/49/11/32/655491132.db2.gz BKLLBKCPNSSJMJ-UHFFFAOYSA-N 1 0 384.314 2.628 20 0 GFADRO CC(C)[NH+]1CCN(c2nnc(-c3cc(Br)cn3C)n2C2CC2)CC1 ZINC000578997336 655491153 /nfs/dbraw/zinc/49/11/53/655491153.db2.gz UOTBAPLLYGVGMM-UHFFFAOYSA-N 1 0 393.333 2.911 20 0 GFADRO CN(C[C@@H](O)c1cccc(Br)c1)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000840242275 661149243 /nfs/dbraw/zinc/14/92/43/661149243.db2.gz XHIPHMUHLUPQGW-MRXNPFEDSA-N 1 0 398.345 2.998 20 0 GFADRO CS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC([NH+]3CCCCC3)CC2)c1 ZINC000265956721 655494009 /nfs/dbraw/zinc/49/40/09/655494009.db2.gz XDERAOKIQPMROI-UHFFFAOYSA-N 1 0 384.929 2.834 20 0 GFADRO C[C@H]1C[C@@H](N(C)C(=O)c2cc(F)ccc2I)CC[N@@H+]1C ZINC000265997424 655494716 /nfs/dbraw/zinc/49/47/16/655494716.db2.gz OBOTXKLNJKOXSQ-JQWIXIFHSA-N 1 0 390.240 2.985 20 0 GFADRO C[C@H]1Cc2cc(S(=O)(=O)N3C[C@H]([NH3+])Cc4ccccc43)cc(Cl)c2O1 ZINC000579450713 655499924 /nfs/dbraw/zinc/49/99/24/655499924.db2.gz KIAOVINESAZEHB-SMDDNHRTSA-N 1 0 378.881 2.742 20 0 GFADRO O=C(NCC1=CC[NH2+]CC1)[C@@H](c1ccc(Br)cc1)N1CCCC1 ZINC000579831943 655504437 /nfs/dbraw/zinc/50/44/37/655504437.db2.gz SSTHOEVQKDAMDD-QGZVFWFLSA-N 1 0 378.314 2.622 20 0 GFADRO CC(C)([NH3+])c1nocc1C(=O)N[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000579859530 655505096 /nfs/dbraw/zinc/50/50/96/655505096.db2.gz WGZUVXKZTUMKJD-GFCCVEGCSA-N 1 0 393.285 2.640 20 0 GFADRO C[C@@H]([NH2+]C[C@H]1CCCCN1S(=O)(=O)N(C)C)c1ccc(F)c(Cl)c1 ZINC000579998131 655506428 /nfs/dbraw/zinc/50/64/28/655506428.db2.gz NPMMZKZXZRIJGG-TZMCWYRMSA-N 1 0 377.913 2.791 20 0 GFADRO C[C@H]([NH3+])C[C@H](C)NC(=O)N1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000580070896 655507839 /nfs/dbraw/zinc/50/78/39/655507839.db2.gz FDOKMVIIQNYVMJ-RYUDHWBXSA-N 1 0 387.311 2.587 20 0 GFADRO CO[C@]1(C)C[C@@H]([NH2+]Cc2cc(=O)n3cc(Br)ccc3n2)C1(C)C ZINC000580278358 655510819 /nfs/dbraw/zinc/51/08/19/655510819.db2.gz XIJYOYLRSIGDIJ-CXAGYDPISA-N 1 0 380.286 2.750 20 0 GFADRO CC(C)(C)OC(=O)N1CCOC[C@@H]1C[NH2+]Cc1ccncc1Br ZINC000703758591 655521976 /nfs/dbraw/zinc/52/19/76/655521976.db2.gz VOGVWFCQKHAXQB-ZDUSSCGKSA-N 1 0 386.290 2.570 20 0 GFADRO C[C@]12C[NH2+]C[C@H]1CN(C(=O)c1cc(Br)sc1Br)C2 ZINC000703573461 655521991 /nfs/dbraw/zinc/52/19/91/655521991.db2.gz LTXVYQYXFFZISC-JVXZTZIISA-N 1 0 394.132 2.955 20 0 GFADRO Ic1cc(-c2nc(CC3CC[NH2+]CC3)no2)cs1 ZINC000720728175 655524635 /nfs/dbraw/zinc/52/46/35/655524635.db2.gz UNFKHUUDVJGCRC-UHFFFAOYSA-N 1 0 375.235 2.945 20 0 GFADRO Cc1cccc(C(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3C)c1I ZINC000720825046 655524779 /nfs/dbraw/zinc/52/47/79/655524779.db2.gz LWNRCVCSKRPDSX-ZIAGYGMSSA-N 1 0 384.261 2.908 20 0 GFADRO C[C@@H](C[C@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]CC(C)(C)CS(C)(=O)=O ZINC000723848082 655525543 /nfs/dbraw/zinc/52/55/43/655525543.db2.gz QLTJWURLVWVRPZ-LSDHHAIUSA-N 1 0 376.563 2.825 20 0 GFADRO C[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2cccc(Cl)c2SC(F)F)C1 ZINC000726292124 655532818 /nfs/dbraw/zinc/53/28/18/655532818.db2.gz UJJJOUXMXDQEDZ-VIFPVBQESA-N 1 0 377.844 2.804 20 0 GFADRO C[C@H](NC(=S)NCc1ccnc(N2CC[NH+](C)CC2)c1)c1cccs1 ZINC000726465370 655535092 /nfs/dbraw/zinc/53/50/92/655535092.db2.gz WNEJCUYXCVXKRK-AWEZNQCLSA-N 1 0 375.567 2.620 20 0 GFADRO CC(C)(CNS(=O)(=O)c1c(Cl)nc2sccn21)[NH+]1CCCCC1 ZINC000728582935 655557021 /nfs/dbraw/zinc/55/70/21/655557021.db2.gz SUBKWPNYNIGXBC-UHFFFAOYSA-N 1 0 376.935 2.592 20 0 GFADRO CC[N@H+](C)Cc1cccc(CNS(=O)(=O)c2c(Cl)nc3sccn32)c1 ZINC000728585780 655557359 /nfs/dbraw/zinc/55/73/59/655557359.db2.gz ZNUZBIWPVZHHOQ-UHFFFAOYSA-N 1 0 398.941 2.979 20 0 GFADRO CCN(Cc1ccccc1Br)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000729504686 655565410 /nfs/dbraw/zinc/56/54/10/655565410.db2.gz KCPMCGRPSBFAJB-CVEARBPZSA-N 1 0 396.329 2.844 20 0 GFADRO O[C@H](COc1ccc(Cl)c(Cl)c1)C[N@@H+]1CCC[C@@H](C2OCCO2)C1 ZINC000729544338 655565871 /nfs/dbraw/zinc/56/58/71/655565871.db2.gz ZOIYFFXOWYVELN-OLZOCXBDSA-N 1 0 376.280 2.818 20 0 GFADRO C[C@@H]([NH2+][C@@H](C)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)c1csc2ccccc21 ZINC000730021586 655571040 /nfs/dbraw/zinc/57/10/40/655571040.db2.gz JBESQPDKOIHASI-HZSPNIEDSA-N 1 0 380.535 2.586 20 0 GFADRO C[NH+](C)CCNC(=S)N1CCO[C@H](c2cc(F)c(Cl)cc2Cl)C1 ZINC000730155692 655571994 /nfs/dbraw/zinc/57/19/94/655571994.db2.gz NQHQSWIXODCAST-AWEZNQCLSA-N 1 0 380.316 2.942 20 0 GFADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=S)Nc1ccc(OC(F)(F)F)cc1 ZINC000730157477 655572093 /nfs/dbraw/zinc/57/20/93/655572093.db2.gz SOUPMZDJXIXCFY-LBPRGKRZSA-N 1 0 376.448 2.508 20 0 GFADRO CC[C@@H](C)[N@H+](C)CCNS(=O)(=O)c1cc(Br)cc(F)c1OC ZINC000731446801 655583669 /nfs/dbraw/zinc/58/36/69/655583669.db2.gz LFVPDUCENOUDTE-SNVBAGLBSA-N 1 0 397.310 2.605 20 0 GFADRO O=C([C@@H]1CCC[N@@H+](C[C@@H](O)c2cccc(Br)c2)C1)N1CCCC1 ZINC000732412314 655596268 /nfs/dbraw/zinc/59/62/68/655596268.db2.gz HYOFYOPRGLFPKA-NVXWUHKLSA-N 1 0 381.314 2.817 20 0 GFADRO CC[C@@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1c(Cl)nc2sccn21 ZINC000733316898 655611998 /nfs/dbraw/zinc/61/19/98/655611998.db2.gz NSZKUXILJMOLIK-LLVKDONJSA-N 1 0 376.935 2.592 20 0 GFADRO O=S(=O)(NC1CC[NH+](C[C@H]2CCCO2)CC1)c1cc(Cl)ccc1Cl ZINC000734243540 655628442 /nfs/dbraw/zinc/62/84/42/655628442.db2.gz LERWZHJTHRELMQ-CQSZACIVSA-N 1 0 393.336 2.915 20 0 GFADRO O=S(=O)(NC1CC[NH+](C[C@@H]2CCCO2)CC1)c1cc(Cl)cc(Cl)c1 ZINC000734243190 655628479 /nfs/dbraw/zinc/62/84/79/655628479.db2.gz FIVSHJONUROZNR-HNNXBMFYSA-N 1 0 393.336 2.915 20 0 GFADRO Cc1ccc(/C=C/C(=O)NCCC[NH+]2CCC(O)CC2)c(Br)c1 ZINC000736191693 655660133 /nfs/dbraw/zinc/66/01/33/655660133.db2.gz KGNBKIPIVRDDEV-AATRIKPKSA-N 1 0 381.314 2.734 20 0 GFADRO COC(=O)[C@](C)(NC(=O)CCCC[NH+](C)C)c1cccc(Br)c1 ZINC000741214578 655703697 /nfs/dbraw/zinc/70/36/97/655703697.db2.gz NLXFURYOGHMMRY-QGZVFWFLSA-N 1 0 385.302 2.685 20 0 GFADRO COCCC[N@H+](C)CCNC(=O)[C@H]1CC(c2ccc(Cl)cc2Cl)=NO1 ZINC000741726103 655707498 /nfs/dbraw/zinc/70/74/98/655707498.db2.gz DODUIXQASVHNLU-MRXNPFEDSA-N 1 0 388.295 2.571 20 0 GFADRO COc1ccc2nc(Cl)ccc2c1S(=O)(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000742308300 655714933 /nfs/dbraw/zinc/71/49/33/655714933.db2.gz FRQCMBCUSXJEBI-RYUDHWBXSA-N 1 0 383.901 2.658 20 0 GFADRO O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccc(F)c(Br)c1 ZINC000742669650 655720081 /nfs/dbraw/zinc/72/00/81/655720081.db2.gz MWJUCQRWOCHDTM-AWEZNQCLSA-N 1 0 385.277 2.961 20 0 GFADRO CCC[N@H+](C)C[C@H]1CCN(C(=O)COc2ccc(C=O)cc2Br)C1 ZINC000742880206 655723130 /nfs/dbraw/zinc/72/31/30/655723130.db2.gz ABXUBPRSJNORRG-OAHLLOKOSA-N 1 0 397.313 2.831 20 0 GFADRO CC[NH+](CC)[C@H]1CCN(C(=O)/C=C\c2ccc(I)o2)C1 ZINC000742902000 655723428 /nfs/dbraw/zinc/72/34/28/655723428.db2.gz UQKWCILLOYEQGQ-VFFGBVLKSA-N 1 0 388.249 2.840 20 0 GFADRO C[C@H](CNC(=S)NC1CC[NH+](C)CC1)Oc1cccc(Br)c1 ZINC000743018454 655724789 /nfs/dbraw/zinc/72/47/89/655724789.db2.gz UEYHQGBIFMGJCP-GFCCVEGCSA-N 1 0 386.359 2.775 20 0 GFADRO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1CNCc1ccc(Cl)o1 ZINC000743768041 655731462 /nfs/dbraw/zinc/73/14/62/655731462.db2.gz ZQCCTPINXNNKCI-JTQLQIEISA-N 1 0 378.281 2.741 20 0 GFADRO C[C@H]1CCC[N@@H+]1CCNC(=O)C(=O)Nc1cccc(C2SCCS2)c1 ZINC000743983616 655733575 /nfs/dbraw/zinc/73/35/75/655733575.db2.gz XFZYSGUSGZQLQP-ZDUSSCGKSA-N 1 0 379.551 2.704 20 0 GFADRO CC(C)[NH+]1CCC(NC(=O)COC(=O)c2cc(F)c(Cl)nc2Cl)CC1 ZINC000744937803 655746859 /nfs/dbraw/zinc/74/68/59/655746859.db2.gz MTPFFYIEAWILQA-UHFFFAOYSA-N 1 0 392.258 2.673 20 0 GFADRO C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)NCC[S@](C)=O ZINC000745845958 655755307 /nfs/dbraw/zinc/75/53/07/655755307.db2.gz UFRIDQVNGZOKLT-DEOSSOPVSA-N 1 0 394.368 2.835 20 0 GFADRO C[NH+](C)CCOc1ccc(CCNC(=O)c2ccc(Br)nc2)cc1 ZINC000746519036 655763182 /nfs/dbraw/zinc/76/31/82/655763182.db2.gz SOXACFDFGFJPNR-UHFFFAOYSA-N 1 0 392.297 2.757 20 0 GFADRO C[NH+](C)[C@]1(CNC(=O)NOCc2ccc(C(F)(F)F)cc2)CCSC1 ZINC000746742770 655767042 /nfs/dbraw/zinc/76/70/42/655767042.db2.gz UMLSIWCOUCJWBE-HNNXBMFYSA-N 1 0 377.432 2.874 20 0 GFADRO CC[C@@H](C)[N@H+](C)CCNS(=O)(=O)c1cc(C(=O)OC)c(Cl)cc1Cl ZINC000747265868 655775536 /nfs/dbraw/zinc/77/55/36/655775536.db2.gz ASIAQFLIYCYKEU-SNVBAGLBSA-N 1 0 397.324 2.789 20 0 GFADRO CC(C)(C)c1ccc(S(=O)(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)s1 ZINC000747886731 655785140 /nfs/dbraw/zinc/78/51/40/655785140.db2.gz PZMLDUOIMSTQIQ-OAHLLOKOSA-N 1 0 386.583 2.967 20 0 GFADRO O=C(Nc1ccc(Br)cn1)[C@@H]1CCC[N@H+](CCC2OCCCO2)C1 ZINC000748050953 655786688 /nfs/dbraw/zinc/78/66/88/655786688.db2.gz IWMAKHFCAOFLCB-CYBMUJFWSA-N 1 0 398.301 2.648 20 0 GFADRO CCc1c(Cl)nc(CS(C)(=O)=O)nc1NCC[N@H+]1CCCC[C@@H]1CC ZINC000749097552 655800103 /nfs/dbraw/zinc/80/01/03/655800103.db2.gz LMWNVGFZXIOKQZ-ZDUSSCGKSA-N 1 0 388.965 2.913 20 0 GFADRO COC(=O)/C=C1\SCC(=O)N1CCC[N@@H+]1CCSC2(CCCCC2)C1 ZINC000750840795 655817899 /nfs/dbraw/zinc/81/78/99/655817899.db2.gz UITHEUPFUQMMHS-VBKFSLOCSA-N 1 0 384.567 2.718 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)[C@@H]1CSCN1C(=O)OC(C)(C)C)c1cccs1 ZINC000751295754 655824891 /nfs/dbraw/zinc/82/48/91/655824891.db2.gz UXNWDRDXWFHLIV-OLZOCXBDSA-N 1 0 385.555 2.777 20 0 GFADRO NC(=O)CC[N@@H+](Cc1ccccc1)C[C@H](O)c1ccccc1Br ZINC000751570760 655831083 /nfs/dbraw/zinc/83/10/83/655831083.db2.gz VBRKLTZPAXFNQZ-KRWDZBQOSA-N 1 0 377.282 2.860 20 0 GFADRO C[C@H]1C[N@H+](CN2C(=O)N[C@](C)(c3ccc(F)cc3Br)C2=O)C[C@H]1C ZINC000751928673 655836299 /nfs/dbraw/zinc/83/62/99/655836299.db2.gz NTOKJYXDYPEURI-VGTOOOLASA-N 1 0 398.276 2.901 20 0 GFADRO Nc1ncc(Cl)cc1S(=O)(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000751978371 655837333 /nfs/dbraw/zinc/83/73/33/655837333.db2.gz NDEQQFGXKDLZPQ-UHFFFAOYSA-N 1 0 386.949 2.640 20 0 GFADRO COc1ccc(Br)c(NNC(=S)NCC(C)(C)C[NH+](C)C)c1 ZINC000840869121 661197154 /nfs/dbraw/zinc/19/71/54/661197154.db2.gz HELPKAVZKGQTGI-UHFFFAOYSA-N 1 0 389.363 2.837 20 0 GFADRO Cc1n[nH]nc1C(=O)N(Cc1ccccc1Br)C1CC[NH+](C)CC1 ZINC000753028636 655849515 /nfs/dbraw/zinc/84/95/15/655849515.db2.gz KKDFCRVSAQCZST-UHFFFAOYSA-N 1 0 392.301 2.612 20 0 GFADRO C[C@@H]([NH2+]CC(=O)N[C@@H](C)c1cccs1)c1cccc(NS(C)(=O)=O)c1 ZINC000753913033 655860910 /nfs/dbraw/zinc/86/09/10/655860910.db2.gz SQORDDWRIGVZOI-OLZOCXBDSA-N 1 0 381.523 2.648 20 0 GFADRO O=C1NC(=O)C2(CCC([NH2+][C@@H]3CCOc4c(Cl)c(Cl)ccc43)CC2)N1 ZINC000754156868 655864510 /nfs/dbraw/zinc/86/45/10/655864510.db2.gz WQUHCULQJVNRHL-IGTVPJFBSA-N 1 0 384.263 2.927 20 0 GFADRO C[NH+](C)[C@@H]1CCN(c2ccc(NC(=O)c3scnc3Br)nc2)C1 ZINC000754368162 655866922 /nfs/dbraw/zinc/86/69/22/655866922.db2.gz ZRTSHMLTNUWZBX-LLVKDONJSA-N 1 0 396.314 2.693 20 0 GFADRO CC[C@@H](CO)[NH+]1CCN(C(=O)Nc2ccc3nc(SC)sc3c2)CC1 ZINC000754422468 655867423 /nfs/dbraw/zinc/86/74/23/655867423.db2.gz LJDPWDYMIXTIFD-ZDUSSCGKSA-N 1 0 380.539 2.939 20 0 GFADRO Cc1ccc([C@H](C)[NH2+]CC(=O)N(C2CCCC2)[C@H]2CCS(=O)(=O)C2)s1 ZINC000754670858 655871145 /nfs/dbraw/zinc/87/11/45/655871145.db2.gz OXUIZJPLWZOVFG-HOCLYGCPSA-N 1 0 384.567 2.665 20 0 GFADRO C[C@@H]1CCC[N@@H+]1CCNS(=O)(=O)c1cccc(Cl)c1Br ZINC000755136668 655880121 /nfs/dbraw/zinc/88/01/21/655880121.db2.gz VAMBPXSJQUOECI-SNVBAGLBSA-N 1 0 381.723 2.865 20 0 GFADRO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)NCCCC[NH+](C)C ZINC000755372396 655882582 /nfs/dbraw/zinc/88/25/82/655882582.db2.gz SUOINAMSSBPNPH-UHFFFAOYSA-N 1 0 381.270 2.936 20 0 GFADRO C[C@H](NC(=S)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1)c1cccs1 ZINC000755396087 655882746 /nfs/dbraw/zinc/88/27/46/655882746.db2.gz FFYYFCZNHNIAIW-PMRDEQMMSA-N 1 0 378.611 2.926 20 0 GFADRO CC(C)(C)S(=O)(=O)N1CCC([NH2+][C@@H]2CC[C@@H]3SCCS[C@H]23)CC1 ZINC000756047912 655893742 /nfs/dbraw/zinc/89/37/42/655893742.db2.gz CRZMEXLUXPCMBO-QLFBSQMISA-N 1 0 378.629 2.548 20 0 GFADRO CCc1c(Cl)nc(CS(C)(=O)=O)nc1NC[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000756984996 655908366 /nfs/dbraw/zinc/90/83/66/655908366.db2.gz YEEQVVHPCLGTMP-ZDUSSCGKSA-N 1 0 388.965 2.627 20 0 GFADRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NCCc1ccc(Br)cc1F ZINC000757687793 655915281 /nfs/dbraw/zinc/91/52/81/655915281.db2.gz HNGDILYEKRYRFQ-ZBEGNZNMSA-N 1 0 384.293 2.913 20 0 GFADRO CC[C@H](Cc1ccccc1Br)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000758158432 655924445 /nfs/dbraw/zinc/92/44/45/655924445.db2.gz XHXICZXEXFMXOE-DJIMGWMZSA-N 1 0 395.341 2.997 20 0 GFADRO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]C[C@]1(C)CCCS1 ZINC000758487520 655933977 /nfs/dbraw/zinc/93/39/77/655933977.db2.gz UPYBYPMGJZHPLN-WFASDCNBSA-N 1 0 377.963 2.580 20 0 GFADRO O=C(CCc1cc(Br)ccc1F)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000758897487 655942958 /nfs/dbraw/zinc/94/29/58/655942958.db2.gz BAOPRNNKCYOZRK-GJZGRUSLSA-N 1 0 385.277 2.500 20 0 GFADRO COCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](C[C@H](O)c2ccc(Cl)cc2Cl)C1 ZINC000759127664 655948371 /nfs/dbraw/zinc/94/83/71/655948371.db2.gz CSOQNYVWBXWIKJ-AHIWAGSCSA-N 1 0 389.323 2.890 20 0 GFADRO CC[C@H]([NH2+]C[C@H](O)c1ccc(Cl)c(F)c1)c1cccc(S(N)(=O)=O)c1 ZINC000759864184 655965335 /nfs/dbraw/zinc/96/53/35/655965335.db2.gz FADUGTKBXPDVHG-IRXDYDNUSA-N 1 0 386.876 2.901 20 0 GFADRO Cc1nn(CN2CCC([NH+]3CCN(C(C)C)CC3)CC2)c(C)c1Br ZINC000760286867 655974406 /nfs/dbraw/zinc/97/44/06/655974406.db2.gz RPPSWLYYNFKQFO-UHFFFAOYSA-N 1 0 398.393 2.710 20 0 GFADRO CC(C)[C@H](C[NH+](C)C)NC(=O)c1cc(F)c(F)cc1I ZINC000760583986 655986526 /nfs/dbraw/zinc/98/65/26/655986526.db2.gz CRQOWWJJCQLTQN-ZDUSSCGKSA-N 1 0 396.219 2.885 20 0 GFADRO C[NH+](C)C[C@@H]1CN(C(=O)c2ccnc(Br)c2)c2ccccc2O1 ZINC000760822222 655992634 /nfs/dbraw/zinc/99/26/34/655992634.db2.gz NSZOECPDYCMPEZ-CYBMUJFWSA-N 1 0 376.254 2.814 20 0 GFADRO CC(C)[NH+]1CCC(O)(CNC(=O)c2cccnc2SC(F)(F)F)CC1 ZINC000760892882 655994322 /nfs/dbraw/zinc/99/43/22/655994322.db2.gz PBFRFFPRVIPFDY-UHFFFAOYSA-N 1 0 377.432 2.659 20 0 GFADRO O=C1N[C@@]2(CCSC2)C(=O)N1C[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000760945313 655995077 /nfs/dbraw/zinc/99/50/77/655995077.db2.gz XIDLGPBLWROIEY-MAUKXSAKSA-N 1 0 379.913 2.904 20 0 GFADRO COC(=O)[C@@](C)(NC(=O)C[NH+]1CCC(C)CC1)c1cccc(Br)c1 ZINC000762211501 656036183 /nfs/dbraw/zinc/03/61/83/656036183.db2.gz VVUCDFITQUMPKH-SFHVURJKSA-N 1 0 397.313 2.685 20 0 GFADRO CCS(=O)(=O)CCC[NH2+]Cc1nc2ccc(Br)cc2s1 ZINC000840973537 661222898 /nfs/dbraw/zinc/22/28/98/661222898.db2.gz OPVAYFAKDVOHML-UHFFFAOYSA-N 1 0 377.329 2.973 20 0 GFADRO CCNc1ccc(S(=O)(=O)C(F)F)cc1NC(=O)CCCC[NH+](C)C ZINC000763081592 656070942 /nfs/dbraw/zinc/07/09/42/656070942.db2.gz WQAPPBSMXIULND-UHFFFAOYSA-N 1 0 377.457 2.785 20 0 GFADRO CS(=O)(=O)CC1(C[NH2+]Cc2c(F)ccc(C3OCCO3)c2Cl)CCC1 ZINC000840975176 661223116 /nfs/dbraw/zinc/22/31/16/661223116.db2.gz MDPLAPVKRBKRHG-UHFFFAOYSA-N 1 0 391.892 2.829 20 0 GFADRO C[N@H+](CC(=O)N1CCO[C@@H](c2ccccc2Br)C1)[C@H]1CCSC1 ZINC000764087467 656100968 /nfs/dbraw/zinc/10/09/68/656100968.db2.gz MFERQAGKDQKWDA-XJKSGUPXSA-N 1 0 399.354 2.786 20 0 GFADRO O=C([C@@H](O)c1cc(Cl)cc(Cl)c1)N1CC[C@@H](OCC[NH+]2CCCC2)C1 ZINC000765177586 656135520 /nfs/dbraw/zinc/13/55/20/656135520.db2.gz LIJQTTJEUHWSAT-SJORKVTESA-N 1 0 387.307 2.740 20 0 GFADRO C[NH+](C)CCn1ccc(NC(=O)N2Cc3ccc(Br)cc3C2)n1 ZINC000765193943 656136099 /nfs/dbraw/zinc/13/60/99/656136099.db2.gz SMNVQRGDMWQPOX-UHFFFAOYSA-N 1 0 378.274 2.755 20 0 GFADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)N1CCc2c(Cl)cc(Cl)cc2C1 ZINC000765755233 656151043 /nfs/dbraw/zinc/15/10/43/656151043.db2.gz PSYBJYYVAZMXDC-LSDHHAIUSA-N 1 0 384.307 2.924 20 0 GFADRO CC(C)O[C@H]1C[C@H]([NH2+]CCNS(=O)(=O)c2ccc(Cl)s2)C1(C)C ZINC000765811249 656152975 /nfs/dbraw/zinc/15/29/75/656152975.db2.gz OWGJKYGVYJKQBT-RYUDHWBXSA-N 1 0 380.963 2.862 20 0 GFADRO CC[C@@H]([NH2+]C[C@H](O)c1cnn(C)c1)c1ccc(I)cc1 ZINC000766186949 656164370 /nfs/dbraw/zinc/16/43/70/656164370.db2.gz ZGNJZHGBWYKCHS-CABCVRRESA-N 1 0 385.249 2.799 20 0 GFADRO CC[C@H]([NH2+]C[C@@H](O)c1cnn(C)c1)c1ccc(I)cc1 ZINC000766186952 656164383 /nfs/dbraw/zinc/16/43/83/656164383.db2.gz ZGNJZHGBWYKCHS-LSDHHAIUSA-N 1 0 385.249 2.799 20 0 GFADRO COCC[N@H+](C)CCCC1CCN(C(=O)NC[C@H]2CC2(Cl)Cl)CC1 ZINC000766525300 656174704 /nfs/dbraw/zinc/17/47/04/656174704.db2.gz YMLVOKRRIDTKRR-OAHLLOKOSA-N 1 0 380.360 2.960 20 0 GFADRO CC[C@@H]1CCC[C@@H]1[NH2+][C@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000766572089 656176631 /nfs/dbraw/zinc/17/66/31/656176631.db2.gz GSEUACJWWZZLOO-CPUCHLNUSA-N 1 0 388.555 2.642 20 0 GFADRO Cn1cc([C@H](O)C[C@@H]2CCC[N@@H+]2C[C@H](O)c2ccc(Br)cc2)cn1 ZINC000766949368 656189352 /nfs/dbraw/zinc/18/93/52/656189352.db2.gz JKXBWDWWEYGIPE-KSZLIROESA-N 1 0 394.313 2.804 20 0 GFADRO CCN1C(=O)N=NC1C1CC[NH+](C[C@H](O)c2ccccc2Br)CC1 ZINC000767114902 656194699 /nfs/dbraw/zinc/19/46/99/656194699.db2.gz FWHOVMDODXLKRX-HNNXBMFYSA-N 1 0 395.301 2.679 20 0 GFADRO C[C@H]1CN(C(=O)Nc2cnc(Br)c(Br)c2)[C@@H](C)C[NH2+]1 ZINC000841141777 661236889 /nfs/dbraw/zinc/23/68/89/661236889.db2.gz KNENUDYVGJTSDL-YUMQZZPRSA-N 1 0 392.095 2.821 20 0 GFADRO C[C@H]1CN(C(=O)Nc2cnc(Br)c(Br)c2)CC[C@@H]1[NH3+] ZINC000841141227 661236963 /nfs/dbraw/zinc/23/69/63/661236963.db2.gz HDHXWKHOEJPCSV-XVKPBYJWSA-N 1 0 392.095 2.808 20 0 GFADRO COc1cc(S(=O)(=O)N(C)Cc2ccc(C[NH+](C)C)cc2)cnc1Cl ZINC000767746665 656218529 /nfs/dbraw/zinc/21/85/29/656218529.db2.gz SOHRLJQCZBKVQA-UHFFFAOYSA-N 1 0 383.901 2.626 20 0 GFADRO COc1cc(S(=O)(=O)N(CC[NH+](C)C)CC2CCCCC2)cnc1Cl ZINC000767773671 656219391 /nfs/dbraw/zinc/21/93/91/656219391.db2.gz WVWSQURHNXANEE-UHFFFAOYSA-N 1 0 389.949 2.876 20 0 GFADRO O=S(=O)(/C=C\c1cccc(Cl)c1)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000768831085 656253479 /nfs/dbraw/zinc/25/34/79/656253479.db2.gz GNZJXPFWWQXHBA-QCSXQHJISA-N 1 0 384.929 2.874 20 0 GFADRO CCOc1ccc(Br)cc1NC(=O)C(=O)N(C)C1CCC([NH3+])CC1 ZINC000841190105 661243208 /nfs/dbraw/zinc/24/32/08/661243208.db2.gz PNVNDRWDWVBHCB-UHFFFAOYSA-N 1 0 398.301 2.515 20 0 GFADRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)Nc1ccc2cc(Br)ccc2c1 ZINC000841199580 661243701 /nfs/dbraw/zinc/24/37/01/661243701.db2.gz GMEVMBRSCUJJIJ-VXGBXAGGSA-N 1 0 390.281 2.737 20 0 GFADRO CC(C)[N@@H+]1CCC[C@H](NC(=O)/C=C\c2ccc(I)o2)C1 ZINC000769657788 656284546 /nfs/dbraw/zinc/28/45/46/656284546.db2.gz UPEMHSCLGARTNT-VFFGBVLKSA-N 1 0 388.249 2.886 20 0 GFADRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)Nc1ccc2cc(Br)ccc2c1 ZINC000841231051 661246246 /nfs/dbraw/zinc/24/62/46/661246246.db2.gz VMPQNSHPSLYIJF-BZNIZROVSA-N 1 0 390.281 2.655 20 0 GFADRO O[C@H](C[NH2+][C@@H]1CCCC[C@@H]1N1CCOCC1)c1cccc(Br)c1 ZINC000769801775 656292369 /nfs/dbraw/zinc/29/23/69/656292369.db2.gz QXNJQDFNZGDXIT-FGTMMUONSA-N 1 0 383.330 2.716 20 0 GFADRO C[C@H](CC(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccc(Br)cc1 ZINC000770274654 656314246 /nfs/dbraw/zinc/31/42/46/656314246.db2.gz KTZGHQZZNXGSMA-KBRIMQKVSA-N 1 0 381.314 2.922 20 0 GFADRO [NH3+]CC[C@@H](NC(=O)C(=O)Nc1cccc(Cl)c1SC(F)F)C(F)F ZINC000841257429 661249847 /nfs/dbraw/zinc/24/98/47/661249847.db2.gz RQOJDFYTFNBGHI-MRVPVSSYSA-N 1 0 387.786 2.692 20 0 GFADRO CC(C)(C)Sc1ccc(NC(=O)C(=O)N[C@H](CC[NH3+])C(F)F)cc1F ZINC000841257427 661249899 /nfs/dbraw/zinc/24/98/99/661249899.db2.gz RQNNVBXGEBGZAZ-LLVKDONJSA-N 1 0 377.432 2.754 20 0 GFADRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1cccnc1I ZINC000770552086 656322774 /nfs/dbraw/zinc/32/27/74/656322774.db2.gz HABZEILCEONZPB-RYUDHWBXSA-N 1 0 387.265 2.536 20 0 GFADRO O=C(NCCC[C@@H]1CCC[NH2+]1)C(=O)Nc1ccccc1SC(F)(F)F ZINC000841259607 661250233 /nfs/dbraw/zinc/25/02/33/661250233.db2.gz REZKLQFKXWRYHC-NSHDSACASA-N 1 0 375.416 2.885 20 0 GFADRO C[C@H](NC(=O)N[C@H](CC[NH3+])C(F)(F)F)[C@@H](O)c1c(Cl)cccc1Cl ZINC000841334019 661252492 /nfs/dbraw/zinc/25/24/92/661252492.db2.gz AUUTWKXUPAYRJR-HNBZJPLGSA-N 1 0 388.217 2.994 20 0 GFADRO O=C(NCCc1ccc(Br)cc1F)Nc1cnc2c(c1)C[NH2+]CC2 ZINC000841322280 661252513 /nfs/dbraw/zinc/25/25/13/661252513.db2.gz SMMBUFUKKFRSLH-UHFFFAOYSA-N 1 0 393.260 2.993 20 0 GFADRO COCCc1nc(C)c([C@@H](C)[NH2+]CCS(=O)(=O)Cc2ccccc2)s1 ZINC000771375782 656347490 /nfs/dbraw/zinc/34/74/90/656347490.db2.gz VNIPFUNNIPFMLJ-CQSZACIVSA-N 1 0 382.551 2.906 20 0 GFADRO CN1CC[NH+](CCCCNC(=O)C[C@@H](O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000772594995 656383709 /nfs/dbraw/zinc/38/37/09/656383709.db2.gz NEJCFGDTPJOPPV-QGZVFWFLSA-N 1 0 388.339 2.561 20 0 GFADRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000772650953 656385239 /nfs/dbraw/zinc/38/52/39/656385239.db2.gz CTSHDKADPUSFOO-DLBZAZTESA-N 1 0 389.323 2.986 20 0 GFADRO CN(CC[C@H]1CCCC[N@@H+]1C)S(=O)(=O)c1ccc2nc(Cl)cnc2c1 ZINC000772942644 656394783 /nfs/dbraw/zinc/39/47/83/656394783.db2.gz CBNOWDCWHWYHLO-CYBMUJFWSA-N 1 0 382.917 2.778 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCC[C@@H](S(C)(=O)=O)C1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000773014778 656397130 /nfs/dbraw/zinc/39/71/30/656397130.db2.gz LCAQVJYAIXUCIF-NJZAAPMLSA-N 1 0 395.493 2.689 20 0 GFADRO COc1cc([C@@H](C)[NH2+]CC2(CCO)CCC2)ccc1S(=O)(=O)C(F)F ZINC000773069125 656398435 /nfs/dbraw/zinc/39/84/35/656398435.db2.gz MZNAWIHKALINDG-GFCCVEGCSA-N 1 0 377.453 2.895 20 0 GFADRO COc1cc([C@H](C)[NH2+][C@H](CO)CC(F)(F)F)ccc1S(=O)(=O)C(F)F ZINC000773107482 656399923 /nfs/dbraw/zinc/39/99/23/656399923.db2.gz PPEPZAMJWOPFLM-WPRPVWTQSA-N 1 0 391.358 2.655 20 0 GFADRO CO[C@H](c1ccc(Br)cc1)[C@@H](C)NC(=S)NCCC[NH+](C)C ZINC000773173072 656402557 /nfs/dbraw/zinc/40/25/57/656402557.db2.gz IJAPNUMBKVCGAB-DOMZBBRYSA-N 1 0 388.375 2.941 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)c2cc(=O)c3cc(Br)ccc3o2)C[N@@H+]1C1CC1 ZINC000841406881 661261402 /nfs/dbraw/zinc/26/14/02/661261402.db2.gz NZZFVFIOEHEEHO-ZYHUDNBSSA-N 1 0 391.265 2.911 20 0 GFADRO Cc1cc(Br)cc(C[NH2+]CCNS(=O)(=O)c2cccs2)c1 ZINC000775000557 656583698 /nfs/dbraw/zinc/58/36/98/656583698.db2.gz XBBYPWZWTHJCQF-UHFFFAOYSA-N 1 0 389.340 2.887 20 0 GFADRO O=C1C[C@H]([C@H]2CCCC[N@H+]2C[C@H](O)c2ccc(F)c(Br)c2)CN1 ZINC000775645281 656659073 /nfs/dbraw/zinc/65/90/73/656659073.db2.gz AQEIMYDRLJFPSO-MAZHCROVSA-N 1 0 385.277 2.612 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)C[C@H]1C ZINC000775710442 656670565 /nfs/dbraw/zinc/67/05/65/656670565.db2.gz KMFDRLCEZPKAHG-RKDXNWHRSA-N 1 0 386.386 2.875 20 0 GFADRO CS[C@H]1CN(CC(=O)Nc2ccccc2SC(F)F)C[C@H]1[NH+](C)C ZINC000775997469 656701660 /nfs/dbraw/zinc/70/16/60/656701660.db2.gz BEDNPIVXOBTMFA-OCCSQVGLSA-N 1 0 375.510 2.917 20 0 GFADRO CC1(C)CN(C(=O)CCSc2nc3ccccc3s2)CC[N@@H+]1CCO ZINC000781675974 657071844 /nfs/dbraw/zinc/07/18/44/657071844.db2.gz CJFQQRQAYWGAQA-UHFFFAOYSA-N 1 0 379.551 2.694 20 0 GFADRO COCCS(=O)(=O)CCC[NH2+][C@@H](C)c1nc2ccccc2n1C(F)F ZINC000781924705 657090168 /nfs/dbraw/zinc/09/01/68/657090168.db2.gz FDHQDBCEPHXMTJ-LBPRGKRZSA-N 1 0 375.441 2.533 20 0 GFADRO CCO[C@@H]1C[C@@](CO)([NH2+]C[C@H](O)COc2cc(Cl)ccc2Cl)C1(C)C ZINC000782016135 657096308 /nfs/dbraw/zinc/09/63/08/657096308.db2.gz ZPDXGERXIYLDNB-XCRHUMRWSA-N 1 0 392.323 2.889 20 0 GFADRO COC(=O)[C@H](c1cccc(Cl)c1Cl)N1CC[NH+](CCCCO)CC1 ZINC000782047927 657097220 /nfs/dbraw/zinc/09/72/20/657097220.db2.gz JAFPEOZEHAPXRN-INIZCTEOSA-N 1 0 375.296 2.598 20 0 GFADRO COC(=O)C1=C(C)O[C@H](C[NH2+][C@H](CCO)c2ccccc2Br)C1 ZINC000782103221 657102393 /nfs/dbraw/zinc/10/23/93/657102393.db2.gz PTEDEEONZIPHAG-BLLLJJGKSA-N 1 0 384.270 2.698 20 0 GFADRO CN(CC1([NH+](C)C)CCC1)C(=O)c1cn(-c2ccccc2Br)nn1 ZINC000782756924 657179241 /nfs/dbraw/zinc/17/92/41/657179241.db2.gz VNOZTBDXNQVQSP-UHFFFAOYSA-N 1 0 392.301 2.586 20 0 GFADRO CCOC(=O)c1nn(CN2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c(=S)s1 ZINC000782834501 657184251 /nfs/dbraw/zinc/18/42/51/657184251.db2.gz XVDBPBOLOCNBNG-JSGCOSHPSA-N 1 0 382.555 2.757 20 0 GFADRO CN(CN1C(=O)N[C@@](C)(c2ccc(Cl)s2)C1=O)CC1([NH+](C)C)CCC1 ZINC000783548885 657240141 /nfs/dbraw/zinc/24/01/41/657240141.db2.gz VXAQZBBBELNZRA-INIZCTEOSA-N 1 0 384.933 2.542 20 0 GFADRO C[N@@H+]1CCCN(CCNC(=S)Nc2cccc(OC(F)(F)F)c2)CC1 ZINC000783732532 657256084 /nfs/dbraw/zinc/25/60/84/657256084.db2.gz OLLBBJDCIGAVNI-UHFFFAOYSA-N 1 0 376.448 2.509 20 0 GFADRO C[C@H](CCNS(=O)(=O)c1ccc2nc(Cl)cnc2c1)[NH+]1CCCCC1 ZINC000784472750 657311535 /nfs/dbraw/zinc/31/15/35/657311535.db2.gz LPBZEOFKXVGBSY-CYBMUJFWSA-N 1 0 382.917 2.826 20 0 GFADRO C[C@@H](CCNS(=O)(=O)c1c(Cl)nc2sccn21)[NH+]1CCCCC1 ZINC000784472295 657311589 /nfs/dbraw/zinc/31/15/89/657311589.db2.gz GTPQJQXTLZHYRD-NSHDSACASA-N 1 0 376.935 2.592 20 0 GFADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1S(=O)(=O)/C=C/c1cccc(Cl)c1 ZINC000785312153 657353967 /nfs/dbraw/zinc/35/39/67/657353967.db2.gz IBZCPOGXQIWJOM-BLMSOEDDSA-N 1 0 384.929 2.826 20 0 GFADRO Cc1cccc([C@@H](C[NH2+]Cc2cc(Br)nn2C)N2CCOCC2)c1 ZINC000785418066 657363556 /nfs/dbraw/zinc/36/35/56/657363556.db2.gz QVHLMSAOMDYOEP-QGZVFWFLSA-N 1 0 393.329 2.654 20 0 GFADRO Cc1ccc(C[NH2+]Cc2cc(Br)nn2C)c(N2CCOCC2)c1 ZINC000785483755 657367908 /nfs/dbraw/zinc/36/79/08/657367908.db2.gz BINYCBAQHKGECK-UHFFFAOYSA-N 1 0 379.302 2.617 20 0 GFADRO CO[C@H](C)C[NH2+]Cc1ccc(Br)cc1SCCS(C)(=O)=O ZINC000785556361 657374529 /nfs/dbraw/zinc/37/45/29/657374529.db2.gz WQWWKOXRQSEKOX-LLVKDONJSA-N 1 0 396.372 2.710 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)OCCC(Cl)(Cl)Cl)CC1=O ZINC000785654870 657380389 /nfs/dbraw/zinc/38/03/89/657380389.db2.gz UAMFHZYBLFSKSH-NEPJUHHUSA-N 1 0 385.719 2.623 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)NCc1ccc(C(=O)OC)cc1Br ZINC000785870290 657391113 /nfs/dbraw/zinc/39/11/13/657391113.db2.gz SAKBJHBQPYSSCJ-CQSZACIVSA-N 1 0 398.301 2.519 20 0 GFADRO CC(C)([NH2+]Cc1cc(=O)n2cc(Br)ccc2n1)C1CCOCC1 ZINC000786163412 657412370 /nfs/dbraw/zinc/41/23/70/657412370.db2.gz OZQVKEVCLMUUDG-UHFFFAOYSA-N 1 0 380.286 2.752 20 0 GFADRO C[C@H]([NH2+]Cc1ccc(S(C)(=O)=O)s1)c1ccc(N2CCOC2=O)cc1 ZINC000786957266 657494809 /nfs/dbraw/zinc/49/48/09/657494809.db2.gz IOJGMBYXCQZLIH-LBPRGKRZSA-N 1 0 380.491 2.959 20 0 GFADRO C[C@@H](CC(=O)Nc1cccnc1Cl)[NH2+]Cc1ccc(S(C)(=O)=O)s1 ZINC000786962910 657497470 /nfs/dbraw/zinc/49/74/70/657497470.db2.gz RONSCNXQEANVLH-JTQLQIEISA-N 1 0 387.914 2.707 20 0 GFADRO C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+]Cc1ccc(S(C)(=O)=O)s1 ZINC000786962915 657497614 /nfs/dbraw/zinc/49/76/14/657497614.db2.gz RONSCNXQEANVLH-SNVBAGLBSA-N 1 0 387.914 2.707 20 0 GFADRO COc1cc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)cnc1Br ZINC000788133885 657655585 /nfs/dbraw/zinc/65/55/85/657655585.db2.gz GZNKAEOBRYOLRY-OAHLLOKOSA-N 1 0 390.281 2.857 20 0 GFADRO COC(=O)c1sc(S(=O)(=O)Nc2cc[nH+]c(N(C)C)c2)c(C)c1Cl ZINC000788549214 657743575 /nfs/dbraw/zinc/74/35/75/657743575.db2.gz TUWCNRSMRSJWMS-UHFFFAOYSA-N 1 0 389.886 2.758 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+]C[C@H](O)C(F)(F)F ZINC000788974481 657805090 /nfs/dbraw/zinc/80/50/90/657805090.db2.gz FGENCCAXRMNRRD-ZDUSSCGKSA-N 1 0 378.192 2.956 20 0 GFADRO O=C(CC1([NH+]2CCOCC2)CCCC1)OCc1ncc(Br)s1 ZINC000788998592 657807493 /nfs/dbraw/zinc/80/74/93/657807493.db2.gz QSRSTHOQUBVDSL-UHFFFAOYSA-N 1 0 389.315 2.984 20 0 GFADRO O=C(NCCC[NH+]1CCC(COc2ccc(Cl)nc2)CC1)C(F)(F)F ZINC000789311442 657837089 /nfs/dbraw/zinc/83/70/89/657837089.db2.gz JYMDJUBQPHYRPS-UHFFFAOYSA-N 1 0 379.810 2.894 20 0 GFADRO CC(C)(C)OC(=O)N[C@@H]1CC(=O)N(CN2CC[C@]3(C)[C@H](C2)C3(Cl)Cl)C1 ZINC000789490310 657856547 /nfs/dbraw/zinc/85/65/47/657856547.db2.gz ZKDBCFHZWPAFFB-BFQNTYOBSA-N 1 0 392.327 2.585 20 0 GFADRO COC(=O)c1c2cnn(C[NH+]3CCC(OC)CC3)c2ccc1Br ZINC000790440605 657977928 /nfs/dbraw/zinc/97/79/28/657977928.db2.gz YVLSOQKDVORJID-UHFFFAOYSA-N 1 0 382.258 2.654 20 0 GFADRO Cc1nn(C)c(CNc2ccc(N3CC[NH+](C)CC3)cc2)c1Br ZINC000790473942 657990250 /nfs/dbraw/zinc/99/02/50/657990250.db2.gz ZCILUDIUOASEHZ-UHFFFAOYSA-N 1 0 378.318 2.855 20 0 GFADRO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)COc1ccc(C=O)cc1Br ZINC000791145875 658061696 /nfs/dbraw/zinc/06/16/96/658061696.db2.gz ODWRXCOMEDOTJM-MRXNPFEDSA-N 1 0 397.313 2.877 20 0 GFADRO C[C@H]1CCN(C(=O)c2cc(Br)n[nH]2)CC[N@@H+]1Cc1ccccc1 ZINC000791376184 658088513 /nfs/dbraw/zinc/08/85/13/658088513.db2.gz TXNCVAHXPOIONW-ZDUSSCGKSA-N 1 0 377.286 2.909 20 0 GFADRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)c2nc(Br)ccc2F)C1 ZINC000791620292 658143227 /nfs/dbraw/zinc/14/32/27/658143227.db2.gz OUQGHHHWKFMGQS-LBPRGKRZSA-N 1 0 388.281 2.556 20 0 GFADRO CC(C)(CNC(=O)c1sccc1S(=O)(=O)C(F)F)C[NH+]1CCCC1 ZINC000791896686 658200821 /nfs/dbraw/zinc/20/08/21/658200821.db2.gz JOQUVIKKMBTYAZ-UHFFFAOYSA-N 1 0 380.482 2.596 20 0 GFADRO CC(C)[NH+]1CCN(CCCOC(=O)c2n[nH]c(C3CC3)c2Br)CC1 ZINC000792039212 658224244 /nfs/dbraw/zinc/22/42/44/658224244.db2.gz KMKPKMGLJXBYRG-UHFFFAOYSA-N 1 0 399.333 2.623 20 0 GFADRO C[NH+](C)CCCOC(=O)CCOc1ccccc1I ZINC000792183696 658247237 /nfs/dbraw/zinc/24/72/37/658247237.db2.gz OOHIEEFHXACCTB-UHFFFAOYSA-N 1 0 377.222 2.555 20 0 GFADRO C[C@H]1C[NH+](CCCCNC(=O)c2nc(Br)ccc2F)C[C@H](C)O1 ZINC000792215757 658252922 /nfs/dbraw/zinc/25/29/22/658252922.db2.gz MILGRHRCMMXJAL-RYUDHWBXSA-N 1 0 388.281 2.602 20 0 GFADRO C[NH+](C)C1(CNC(=O)c2nc(Br)cs2)Cc2ccccc2C1 ZINC000792346196 658271730 /nfs/dbraw/zinc/27/17/30/658271730.db2.gz CUXHRBPMQNQKLT-UHFFFAOYSA-N 1 0 380.311 2.735 20 0 GFADRO CC(C)[C@H](CC[N@H+](C)C[C@@H]1CCCS(=O)(=O)C1)NC(=O)OC(C)(C)C ZINC000792870964 658325224 /nfs/dbraw/zinc/32/52/24/658325224.db2.gz KJWSYJGTAPBBRP-HOTGVXAUSA-N 1 0 376.563 2.682 20 0 GFADRO CC(C)[C@H](CC[N@H+](C)C[C@H]1CCCS(=O)(=O)C1)NC(=O)OC(C)(C)C ZINC000792870960 658325433 /nfs/dbraw/zinc/32/54/33/658325433.db2.gz KJWSYJGTAPBBRP-CVEARBPZSA-N 1 0 376.563 2.682 20 0 GFADRO C[N@H+](CCCNC(=O)C(=O)Nc1cccc(Br)n1)C1CCCCC1 ZINC000792953302 658333751 /nfs/dbraw/zinc/33/37/51/658333751.db2.gz ONACVSKQHVHAKJ-UHFFFAOYSA-N 1 0 397.317 2.553 20 0 GFADRO Cc1ccc(NC(=O)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)nc1Br ZINC000792985897 658341288 /nfs/dbraw/zinc/34/12/88/658341288.db2.gz MLFKRRHYBYFDAA-GFCCVEGCSA-N 1 0 399.333 2.574 20 0 GFADRO C[C@H](CNC(=O)C(=O)N(C)Cc1ccc(Cl)c(Cl)c1)[NH+]1CCCCC1 ZINC000793696963 658427307 /nfs/dbraw/zinc/42/73/07/658427307.db2.gz GCTWIEQEFYTZCX-CYBMUJFWSA-N 1 0 386.323 2.942 20 0 GFADRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1Cn1c(=O)oc2cccc(Br)c21 ZINC000795708156 658843444 /nfs/dbraw/zinc/84/34/44/658843444.db2.gz RSFXMFFTAFWWHE-QWHCGFSZSA-N 1 0 380.286 2.873 20 0 GFADRO CC[NH+](CC)CC[C@@H](CO)NC(=O)C[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000798268177 659090998 /nfs/dbraw/zinc/09/09/98/659090998.db2.gz QYNZVPCIGHZGSF-JKSUJKDBSA-N 1 0 377.312 2.626 20 0 GFADRO CC(C)C[N@@H+]1CCO[C@@H](COC(=O)C2(c3cncc(Br)c3)CC2)C1 ZINC000798830149 659148270 /nfs/dbraw/zinc/14/82/70/659148270.db2.gz NZTNBQPAAYCGRH-MRXNPFEDSA-N 1 0 397.313 2.776 20 0 GFADRO CC[C@@H](c1ccc(Br)cc1)N1CC[NH+](CCC(=O)N(C)OC)CC1 ZINC000799119279 659165622 /nfs/dbraw/zinc/16/56/22/659165622.db2.gz BSVNUSJAVCEFTI-KRWDZBQOSA-N 1 0 398.345 2.928 20 0 GFADRO O=C(NCC1CC[NH+](C[C@H](O)c2ccc(Cl)c(F)c2)CC1)C(F)(F)F ZINC000799174574 659170661 /nfs/dbraw/zinc/17/06/61/659170661.db2.gz OXSKWNMUGDXEIY-AWEZNQCLSA-N 1 0 382.785 2.903 20 0 GFADRO CC1(c2ccc(Br)cc2)CC[NH+](CCCOC(=O)NC(N)=O)CC1 ZINC000799325184 659180895 /nfs/dbraw/zinc/18/08/95/659180895.db2.gz CHCAOFCYYIHMCS-UHFFFAOYSA-N 1 0 398.301 2.998 20 0 GFADRO C[NH+](C)CCOc1cccc(CNC(=O)N2CCC=C(Br)C2)c1 ZINC000799363273 659184509 /nfs/dbraw/zinc/18/45/09/659184509.db2.gz XHJUGJGJUSCYDC-UHFFFAOYSA-N 1 0 382.302 2.821 20 0 GFADRO C[N@@H+]1CCN(CCNC(=S)Nc2cccc(Br)c2)CC1(C)C ZINC000799507903 659195794 /nfs/dbraw/zinc/19/57/94/659195794.db2.gz VNWHUOWQPPPCQY-UHFFFAOYSA-N 1 0 385.375 2.762 20 0 GFADRO C[NH+](C)CC(C)(C)CNC(=S)NC[C@H](O)c1cccc(Br)c1 ZINC000799900142 659239315 /nfs/dbraw/zinc/23/93/15/659239315.db2.gz LAYSYPQSCXBYSD-AWEZNQCLSA-N 1 0 388.375 2.534 20 0 GFADRO C[C@@H]1CCC[N@@H+]1CCNS(=O)(=O)c1c(Cl)cccc1Br ZINC000800937210 659354104 /nfs/dbraw/zinc/35/41/04/659354104.db2.gz SMLZRQZCTQCZEZ-SNVBAGLBSA-N 1 0 381.723 2.865 20 0 GFADRO Nc1nccc([C@@H]2CCC[N@H+](C[C@@H](O)c3ccc(Br)cc3)C2)n1 ZINC000801551779 659404052 /nfs/dbraw/zinc/40/40/52/659404052.db2.gz SROPZDBNCRTCKF-CZUORRHYSA-N 1 0 377.286 2.734 20 0 GFADRO O=C(C[NH2+][C@@H]1CCc2ccccc2OC1)Nc1ccc(Br)cn1 ZINC000801571678 659405433 /nfs/dbraw/zinc/40/54/33/659405433.db2.gz ZFXWVLFBYFAZOH-CQSZACIVSA-N 1 0 376.254 2.766 20 0 GFADRO C[C@@H](CCNS(=O)(=O)c1ccccc1)[NH2+]Cc1c(Cl)nc(Cl)n1C ZINC000801734461 659420633 /nfs/dbraw/zinc/42/06/33/659420633.db2.gz BZDISNIQKUUPHX-NSHDSACASA-N 1 0 391.324 2.574 20 0 GFADRO CCC[NH+]1CCC(CNC(=O)NC[C@@H](O)c2cccc(Br)c2)CC1 ZINC000802069471 659442061 /nfs/dbraw/zinc/44/20/61/659442061.db2.gz JOHTUULICYVOPV-QGZVFWFLSA-N 1 0 398.345 2.904 20 0 GFADRO CC(C)[N@@H+]1CCO[C@@H](COC(=O)C2(c3cncc(Br)c3)CC2)C1 ZINC000802134245 659447993 /nfs/dbraw/zinc/44/79/93/659447993.db2.gz KEPFTXQHSCYCST-OAHLLOKOSA-N 1 0 383.286 2.528 20 0 GFADRO CC(C)[N@@H+]1CCO[C@H](COC(=O)[C@H](C)Oc2cccc(Br)c2)C1 ZINC000802138453 659448971 /nfs/dbraw/zinc/44/89/71/659448971.db2.gz HUSPJIXAMSDJSC-BBRMVZONSA-N 1 0 386.286 2.869 20 0 GFADRO C[N@@H+]1CCC[C@H]2CN(CN3Cc4c(cccc4Br)C3=O)CC[C@@H]21 ZINC000802732186 659499856 /nfs/dbraw/zinc/49/98/56/659499856.db2.gz BOQQEHQZJBLMJC-GUYCJALGSA-N 1 0 378.314 2.779 20 0 GFADRO CC(C)(C)Oc1nc(NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)ncc1Br ZINC000804396456 659642831 /nfs/dbraw/zinc/64/28/31/659642831.db2.gz IKUXLVPIYVBPGF-NWDGAFQWSA-N 1 0 385.306 2.692 20 0 GFADRO CNC(=O)OC[C@@H]1CCCC[N@@H+]1C[C@H](O)COc1ccc(Cl)cc1Cl ZINC000805824793 659807789 /nfs/dbraw/zinc/80/77/89/659807789.db2.gz FRYAGZRYFWDMLC-KBPBESRZSA-N 1 0 391.295 2.944 20 0 GFADRO CC[NH+]1CCN(c2ccc(NC(=O)NCC(F)(F)Br)cc2)CC1 ZINC000806154291 659826575 /nfs/dbraw/zinc/82/65/75/659826575.db2.gz DHNXHOUBLWRABK-UHFFFAOYSA-N 1 0 391.260 2.938 20 0 GFADRO CS[C@H]1CN(C(=O)c2nc(Br)sc2C2CC2)C[C@H]1[NH+](C)C ZINC000807166945 659848893 /nfs/dbraw/zinc/84/88/93/659848893.db2.gz PBXMVBOPDBKDGQ-ZJUUUORDSA-N 1 0 390.372 2.901 20 0 GFADRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1Cn1c2cc(Br)ccc2oc1=O ZINC000808193165 659881236 /nfs/dbraw/zinc/88/12/36/659881236.db2.gz VBDUMFQAAWTAFR-GXTWGEPZSA-N 1 0 380.286 2.873 20 0 GFADRO OC[C@H]1CCC[N@@H+]1Cc1ccccc1CNc1cnc(Br)cn1 ZINC000809356486 659924222 /nfs/dbraw/zinc/92/42/22/659924222.db2.gz OXYICACIAAMWTN-OAHLLOKOSA-N 1 0 377.286 2.808 20 0 GFADRO C[C@@](O)(C[NH2+]Cc1ccc(S(N)(=O)=O)c(Cl)c1)c1ccccc1Cl ZINC000809425108 659927685 /nfs/dbraw/zinc/92/76/85/659927685.db2.gz GLESKJWXBNPMJD-MRXNPFEDSA-N 1 0 389.304 2.638 20 0 GFADRO C[C@H](CS(C)(=O)=O)[N@H+](C)C[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)CC1 ZINC000809946361 659952895 /nfs/dbraw/zinc/95/28/95/659952895.db2.gz TZDAPNNZBQVJJB-BZUAXINKSA-N 1 0 376.563 2.682 20 0 GFADRO O=C(C[N@H+]1CCC[C@H]([C@@H](O)c2ccc(Br)cc2)C1)NCC1CC1 ZINC000810048789 659957926 /nfs/dbraw/zinc/95/79/26/659957926.db2.gz MLPYDXDJKGWAHN-YJBOKZPZSA-N 1 0 381.314 2.721 20 0 GFADRO CCCS(=O)(=O)N1CCC([NH2+][C@@H](C)c2ccc(Br)nc2)CC1 ZINC000810209431 659966354 /nfs/dbraw/zinc/96/63/54/659966354.db2.gz RAFPBPRSTNTFFK-LBPRGKRZSA-N 1 0 390.347 2.699 20 0 GFADRO CNC(=O)COc1cccc(C[NH2+][C@@H](C)c2ccc(Br)nc2)c1 ZINC000810212043 659966630 /nfs/dbraw/zinc/96/66/30/659966630.db2.gz ZKVRKAXADQXTFF-LBPRGKRZSA-N 1 0 378.270 2.820 20 0 GFADRO CC(C)[N@@H+](C)C[C@H](C)NC(=O)CN1C(=S)N=NC1c1ccc(Cl)cc1 ZINC000811600857 660013222 /nfs/dbraw/zinc/01/32/22/660013222.db2.gz LFDNLZFLASOTDE-LBPRGKRZSA-N 1 0 381.933 2.732 20 0 GFADRO Cc1cnn([C@H]2CC[N@H+](Cn3nc(Br)c(=O)c4ccccc43)C2)c1 ZINC000811800301 660015540 /nfs/dbraw/zinc/01/55/40/660015540.db2.gz OGUBVKYAZWZXMT-ZDUSSCGKSA-N 1 0 388.269 2.568 20 0 GFADRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]C[C@@](C)(O)c1ccc(Br)cc1Cl ZINC000815103160 660112372 /nfs/dbraw/zinc/11/23/72/660112372.db2.gz VWVPXBLHVZCHLZ-DIOULYMOSA-N 1 0 389.721 2.814 20 0 GFADRO C[C@H]([NH2+]Cc1c(Cl)ncnc1N(C)C)C1CCN(CC(F)(F)F)CC1 ZINC000815111289 660113233 /nfs/dbraw/zinc/11/32/33/660113233.db2.gz UXHBWVDZJHZBEU-NSHDSACASA-N 1 0 379.858 2.948 20 0 GFADRO Brc1cccc2c1C[C@H]([NH2+]C[C@H]1COC3(CCOCC3)O1)CC2 ZINC000815135057 660114181 /nfs/dbraw/zinc/11/41/81/660114181.db2.gz IFVVPHBMNCZPJN-CABCVRRESA-N 1 0 382.298 2.818 20 0 GFADRO CCOC1(C[NH2+]Cc2c(C)nn([C@H]3CCS(=O)(=O)C3)c2Cl)CCCC1 ZINC000815148594 660114316 /nfs/dbraw/zinc/11/43/16/660114316.db2.gz ASRVERJUASWUHJ-AWEZNQCLSA-N 1 0 389.949 2.643 20 0 GFADRO Cn1ncc(CCC[NH2+]Cc2ccc(OC(F)F)c(Br)c2)n1 ZINC000815145096 660114477 /nfs/dbraw/zinc/11/44/77/660114477.db2.gz NVSMPVVYLJDBMG-UHFFFAOYSA-N 1 0 375.217 2.901 20 0 GFADRO CCCCN(C1CC(C)(C)[NH2+]C(C)(C)C1)S(=O)(=O)CCCOC(C)=O ZINC000817129017 660180149 /nfs/dbraw/zinc/18/01/49/660180149.db2.gz HSMGKCQMWSELTP-UHFFFAOYSA-N 1 0 376.563 2.681 20 0 GFADRO [NH3+]C1(CNC(=O)N[C@@H]2CC[C@@H]3SCCS[C@@H]23)C2CC3CC(C2)CC1C3 ZINC000841867662 661316740 /nfs/dbraw/zinc/31/67/40/661316740.db2.gz LNMQPJBNTPGURC-JTXBEMSDSA-N 1 0 381.611 2.819 20 0 GFADRO CN(C(=O)N[C@H]1CCN(c2cccc(Br)c2)C1)C1CCC([NH3+])CC1 ZINC000841887069 661317161 /nfs/dbraw/zinc/31/71/61/661317161.db2.gz CRPVCYGTPPCYKX-PCKAHOCUSA-N 1 0 395.345 2.939 20 0 GFADRO [NH3+]C1CCC(NC(=O)N2CCO[C@H](c3ccccc3Br)C2)CC1 ZINC000841944881 661318300 /nfs/dbraw/zinc/31/83/00/661318300.db2.gz OQURSPTYPHLWHD-ZUEPYMLJSA-N 1 0 382.302 2.802 20 0 GFADRO CCC[N@H+](CC)CCNC(=O)C(=O)Nc1cnc(Cl)c(C(F)(F)F)c1 ZINC000842205142 661327256 /nfs/dbraw/zinc/32/72/56/661327256.db2.gz JGVAQFYKNIKFAH-UHFFFAOYSA-N 1 0 380.798 2.540 20 0 GFADRO C[C@@](O)(C[NH2+]Cc1ccc(S(N)(=O)=O)c(Cl)c1)c1cccc(Cl)c1 ZINC000842205031 661327296 /nfs/dbraw/zinc/32/72/96/661327296.db2.gz AOKHWHZJVQBUFW-MRXNPFEDSA-N 1 0 389.304 2.638 20 0 GFADRO C[NH2+]C[C@H](C)c1noc(-c2cc(S(C)(=O)=O)cc(Br)c2C)n1 ZINC000842582775 661344348 /nfs/dbraw/zinc/34/43/48/661344348.db2.gz MHAVGVSTZVLLRU-QMMMGPOBSA-N 1 0 388.287 2.534 20 0 GFADRO O=C1C[C@H](c2nc([C@H]3CCC[NH2+]C3)no2)CN1c1ccccc1Br ZINC000842665494 661348161 /nfs/dbraw/zinc/34/81/61/661348161.db2.gz PCJXPNVZYUQPHB-RYUDHWBXSA-N 1 0 391.269 2.820 20 0 GFADRO CC(C)(C[NH2+]Cc1ccccc1I)[C@]1(O)CCOC1 ZINC000842758069 661352908 /nfs/dbraw/zinc/35/29/08/661352908.db2.gz FVSBUFURIDXESX-HNNXBMFYSA-N 1 0 375.250 2.558 20 0 GFADRO COc1ccc2nc(Cl)ccc2c1S(=O)(=O)N1CC[NH2+][C@@H](C(C)C)C1 ZINC000842776774 661353706 /nfs/dbraw/zinc/35/37/06/661353706.db2.gz PBHBYHLTFJCJJS-CQSZACIVSA-N 1 0 383.901 2.515 20 0 GFADRO O=S(=O)(/C=C/c1ccccc1Br)N1CCC2(C1)CC[NH2+]CC2 ZINC000842825971 661356557 /nfs/dbraw/zinc/35/65/57/661356557.db2.gz RNNMHQWLBIFPHW-LFYBBSHMSA-N 1 0 385.327 2.825 20 0 GFADRO O=S(=O)(/C=C/c1cccc(Br)c1)N1CCC2(CC[NH2+]C2)CC1 ZINC000842871079 661358070 /nfs/dbraw/zinc/35/80/70/661358070.db2.gz KVJGTSBOVDGZEE-NYYWCZLTSA-N 1 0 385.327 2.825 20 0 GFADRO C[C@H]([NH2+]CC(C)(C)[C@@]1(O)CCOC1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000842915176 661360284 /nfs/dbraw/zinc/36/02/84/661360284.db2.gz CZPUPZMSKMROAJ-YVEFUNNKSA-N 1 0 377.453 2.511 20 0 GFADRO CN(CC(=O)N1CC[NH2+]CC1)Cc1sc(Sc2ccccc2)nc1Cl ZINC000843044609 661365309 /nfs/dbraw/zinc/36/53/09/661365309.db2.gz LQWFIQUIUKAAEC-UHFFFAOYSA-N 1 0 396.969 2.811 20 0 GFADRO C[C@H]([NH2+]C[C@@H](O)COc1ccc(Br)cc1)[C@H](O)c1ccccc1 ZINC000843063090 661365770 /nfs/dbraw/zinc/36/57/70/661365770.db2.gz RYSPORKZVAGRFX-XCRHUMRWSA-N 1 0 380.282 2.901 20 0 GFADRO Cc1ccccc1[C@H](O)C[NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000843073790 661366498 /nfs/dbraw/zinc/36/64/98/661366498.db2.gz JPHYQRDCEAPOCU-CRAIPNDOSA-N 1 0 398.272 2.960 20 0 GFADRO CC(C)(C)OC(=O)NCC[C@@H](O)C[NH2+]C[C@@H](O)c1c(Cl)cccc1Cl ZINC000843084586 661367019 /nfs/dbraw/zinc/36/70/19/661367019.db2.gz QYMCCIMFNMQTRK-BXUZGUMPSA-N 1 0 393.311 2.892 20 0 GFADRO O[C@H](C[NH2+]CC[C@@H](O)c1ccccc1)COc1ccc(Br)cc1 ZINC000843090364 661367216 /nfs/dbraw/zinc/36/72/16/661367216.db2.gz XXJLADLHSXZRFK-SJLPKXTDSA-N 1 0 380.282 2.902 20 0 GFADRO O[C@H](C[NH2+]C[C@@H](O)c1cccc(Br)c1)COc1ccc(F)cc1 ZINC000843112006 661368798 /nfs/dbraw/zinc/36/87/98/661368798.db2.gz BVYRZDKYLRDGDH-NVXWUHKLSA-N 1 0 384.245 2.651 20 0 GFADRO OCC[C@@H](Cc1ccccc1)[NH2+]C[C@@H](O)COc1cccc(Br)c1 ZINC000843115250 661369322 /nfs/dbraw/zinc/36/93/22/661369322.db2.gz SIAUDHQXTYKZTN-ZWKOTPCHSA-N 1 0 394.309 2.772 20 0 GFADRO OCC[C@@H](Cc1ccccc1)[NH2+]C[C@H](O)COc1ccc(Br)cc1 ZINC000843115932 661369406 /nfs/dbraw/zinc/36/94/06/661369406.db2.gz USWRZIKVBWTHHH-ROUUACIJSA-N 1 0 394.309 2.772 20 0 GFADRO Brc1ccccc1-n1cc(-c2nc(CC3CC[NH2+]CC3)no2)nn1 ZINC000843132493 661370372 /nfs/dbraw/zinc/37/03/72/661370372.db2.gz BBPFUEQNOVDMTM-UHFFFAOYSA-N 1 0 389.257 2.622 20 0 GFADRO Cc1ccc(S(=O)(=O)N2CCC[C@H](c3nc([C@@H]([NH3+])C(C)C)no3)C2)s1 ZINC000843150765 661370658 /nfs/dbraw/zinc/37/06/58/661370658.db2.gz DKGUZVWDNVBFDC-JSGCOSHPSA-N 1 0 384.527 2.664 20 0 GFADRO COc1ccc(Cc2noc([C@@]3(C)CC[NH2+]C3)n2)c(Br)c1OC ZINC000843202233 661372027 /nfs/dbraw/zinc/37/20/27/661372027.db2.gz BYYVPISTLDQDMC-INIZCTEOSA-N 1 0 382.258 2.691 20 0 GFADRO Clc1cc(Cl)c2nc(Cc3noc(C[C@H]4CSCC[NH2+]4)n3)cn2c1 ZINC000843208284 661372824 /nfs/dbraw/zinc/37/28/24/661372824.db2.gz SOJPZNXQSWGBOW-NSHDSACASA-N 1 0 384.292 2.862 20 0 GFADRO Fc1cccc(Cc2noc(C[C@@H]3CCC[NH2+]3)n2)c1I ZINC000843208728 661372973 /nfs/dbraw/zinc/37/29/73/661372973.db2.gz KQIHNHIBHCLZRI-JTQLQIEISA-N 1 0 387.196 2.699 20 0 GFADRO Cc1cc(Br)ccc1-c1noc(-c2cn(C3CC[NH2+]CC3)nn2)n1 ZINC000843219061 661373364 /nfs/dbraw/zinc/37/33/64/661373364.db2.gz RZRPKEOEWWIXKU-UHFFFAOYSA-N 1 0 389.257 2.991 20 0 GFADRO [NH3+]C[C@H](NC(=O)/C=C\c1ccc(I)o1)C1CCCCC1 ZINC000843344864 661378417 /nfs/dbraw/zinc/37/84/17/661378417.db2.gz CDUYDHWITYHCBE-JWJUJFCLSA-N 1 0 388.249 2.921 20 0 GFADRO [NH3+]C[C@H]1CN(CC(=O)Nc2c(Cl)c(Cl)cc(Cl)c2Cl)CCO1 ZINC000843367352 661378825 /nfs/dbraw/zinc/37/88/25/661378825.db2.gz CQCMRCXAVGJAKI-ZETCQYMHSA-N 1 0 387.094 2.898 20 0 GFADRO O=C(CO[C@H]1CCC[NH2+]C1)NCC1(c2ccc(Br)cc2)CCC1 ZINC000843397418 661379509 /nfs/dbraw/zinc/37/95/09/661379509.db2.gz MGZBUJHEFDJFQN-INIZCTEOSA-N 1 0 381.314 2.756 20 0 GFADRO O=C([C@H]1C[NH2+]CCC1(F)F)N1CCO[C@H](c2ccccc2Br)C1 ZINC000843407226 661380103 /nfs/dbraw/zinc/38/01/03/661380103.db2.gz DTXKHJIELKSWAJ-OCCSQVGLSA-N 1 0 389.240 2.594 20 0 GFADRO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)N1CC[NH2+][C@@H](C(C)C)C1 ZINC000843467474 661382387 /nfs/dbraw/zinc/38/23/87/661382387.db2.gz CYEWLEAJXWVHIM-CQSZACIVSA-N 1 0 393.281 2.934 20 0 GFADRO O=C(CO[C@@H]1CCC[NH2+]C1)N1CCC(Oc2cccc(Br)c2)CC1 ZINC000843490799 661383405 /nfs/dbraw/zinc/38/34/05/661383405.db2.gz BZROXWSETMLWIY-QGZVFWFLSA-N 1 0 397.313 2.588 20 0 GFADRO CCCN(C(=O)/C=C\c1ccc(I)o1)[C@@H]1CC[N@H+](C)C1 ZINC000843993467 661399755 /nfs/dbraw/zinc/39/97/55/661399755.db2.gz NGSMNMQRZYGOSE-SMYYYNMVSA-N 1 0 388.249 2.840 20 0 GFADRO O=C1CCc2cc(OC[C@@H](O)C[NH2+]CCC[C@H]3CC3(Cl)Cl)ccc2N1 ZINC000844280064 661412314 /nfs/dbraw/zinc/41/23/14/661412314.db2.gz UMYOLLQKNNQIGD-KBPBESRZSA-N 1 0 387.307 2.875 20 0 GFADRO CC[N@@H+](Cc1cc(Cl)cc(S(N)(=O)=O)c1)C[C@@H](O)c1ccc(C)cc1 ZINC000844299336 661412821 /nfs/dbraw/zinc/41/28/21/661412821.db2.gz BIMDYKLTVRNBSV-GOSISDBHSA-N 1 0 382.913 2.851 20 0 GFADRO O=C1C=C(c2ccc(Br)cc2)CN1CN1CC[C@H]([NH+]2CCCC2)C1 ZINC000844692886 661433995 /nfs/dbraw/zinc/43/39/95/661433995.db2.gz ZXCBFXKGWOIKLT-SFHVURJKSA-N 1 0 390.325 2.802 20 0 GFADRO C[N@@H+]1CCC[C@@H]2CN(Cn3nc(-c4ccc(Cl)s4)ccc3=O)CC[C@@H]21 ZINC000844697527 661435018 /nfs/dbraw/zinc/43/50/18/661435018.db2.gz JKUXWZYCJQCERN-HIFRSBDPSA-N 1 0 378.929 2.999 20 0 GFADRO O=C(NCCC[C@H]1CC1(Cl)Cl)NCC1([NH+]2CCCC2)CCOCC1 ZINC000844954296 661450510 /nfs/dbraw/zinc/45/05/10/661450510.db2.gz QGEPEJZHNXUYTL-AWEZNQCLSA-N 1 0 378.344 2.905 20 0 GFADRO O=C(Cc1cn2c(n1)CCCC2)Oc1cccc(I)c1 ZINC000845111299 661456512 /nfs/dbraw/zinc/45/65/12/661456512.db2.gz GIFKQMYDFFSROF-UHFFFAOYSA-N 1 0 382.201 2.972 20 0 GFADRO C[C@@H](CC(=O)O[C@@H]1CCN(c2cccc(Br)c2)C1=O)n1ccnc1 ZINC000845286987 661464049 /nfs/dbraw/zinc/46/40/49/661464049.db2.gz YMKVIFAKDBONCP-SWLSCSKDSA-N 1 0 392.253 2.945 20 0 GFADRO CC(C)[N@@H+]1CCO[C@@H](COC(=O)[C@@H]2CCOc3ccc(Br)cc32)C1 ZINC000845514062 661476022 /nfs/dbraw/zinc/47/60/22/661476022.db2.gz RWKMXSWNJLHWEB-HUUCEWRRSA-N 1 0 398.297 2.968 20 0 GFADRO C[C@@H](C[NH+]1CCCC1)OC(=O)CN(C)C(=O)c1ccc(Br)s1 ZINC000845666027 661486016 /nfs/dbraw/zinc/48/60/16/661486016.db2.gz ABEGQXWMSJCAIX-NSHDSACASA-N 1 0 389.315 2.610 20 0 GFADRO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)NCCC[C@H]1CC1(Cl)Cl ZINC000845667352 661486306 /nfs/dbraw/zinc/48/63/06/661486306.db2.gz PIVKKMWFGQGOBR-AWEZNQCLSA-N 1 0 379.376 2.628 20 0 GFADRO [NH3+]C[C@]12CCC[C@H]1CN(S(=O)(=O)/C=C\c1cccc(Br)c1)C2 ZINC000846232699 661539519 /nfs/dbraw/zinc/53/95/19/661539519.db2.gz YAJQFHRQDWWSPP-YFZPWRCSSA-N 1 0 385.327 2.810 20 0 GFADRO O=C(NCCC[C@H]1CC1(Cl)Cl)C(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000846324055 661545154 /nfs/dbraw/zinc/54/51/54/661545154.db2.gz NHJGRQOYYXTKGZ-NSHDSACASA-N 1 0 388.270 2.500 20 0 GFADRO C[NH+]1CCC(ONC(=O)c2cc(Br)cc(Br)c2)CC1 ZINC000846646347 661560309 /nfs/dbraw/zinc/56/03/09/661560309.db2.gz AGJQRVPRFCIMTM-UHFFFAOYSA-N 1 0 392.091 2.967 20 0 GFADRO C[N@H+](CCCNC(=O)C(=O)NCC[C@@]1(C)C[C@@]1(F)Cl)C1CCCCC1 ZINC000846722136 661562566 /nfs/dbraw/zinc/56/25/66/661562566.db2.gz RRQLCCYWKPDBRK-ROUUACIJSA-N 1 0 375.916 2.578 20 0 GFADRO C[C@@H]1COCCN1C1CC[NH+](C[C@@H](O)c2ccc(Br)cc2)CC1 ZINC000846910072 661570311 /nfs/dbraw/zinc/57/03/11/661570311.db2.gz BCCGIKJIYWTZOY-RDTXWAMCSA-N 1 0 383.330 2.668 20 0 GFADRO O=C(Nc1ccc2cc(Br)ccc2c1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000847167382 661578726 /nfs/dbraw/zinc/57/87/26/661578726.db2.gz UQSFWGSBRLIHEC-DLBZAZTESA-N 1 0 390.281 2.885 20 0 GFADRO C[C@H](CNC(=O)c1cc(Br)cnc1Cl)N1C[C@@H](C)O[C@@H](C)C1 ZINC000847181062 661579954 /nfs/dbraw/zinc/57/99/54/661579954.db2.gz GIYWIJSAWUJRLH-MXWKQRLJSA-N 1 0 390.709 2.725 20 0 GFADRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)c2cnn(-c3ccccc3)c2Br)C1 ZINC000847181988 661580008 /nfs/dbraw/zinc/58/00/08/661580008.db2.gz UKXRAPKQEAHKMD-XBXGTLAGSA-N 1 0 377.286 2.705 20 0 GFADRO C[NH+](C)[C@@H]1CCCN(C(=O)c2ccccc2S(=O)(=O)C(F)(F)F)CC1 ZINC000847910343 661616291 /nfs/dbraw/zinc/61/62/91/661616291.db2.gz XOQAJYBQWZHXJQ-GFCCVEGCSA-N 1 0 378.416 2.536 20 0 GFADRO COc1cc(/C=C\C(=O)N2CC[N@H+](C)C(C)(C)C2)cc(Br)c1O ZINC000848032717 661621878 /nfs/dbraw/zinc/62/18/78/661621878.db2.gz CSFCQSYRZKWAIN-WAYWQWQTSA-N 1 0 383.286 2.729 20 0 GFADRO COc1cc(/C=C/C(=O)N2CC[N@H+](C)C(C)(C)C2)cc(Br)c1O ZINC000848032715 661621936 /nfs/dbraw/zinc/62/19/36/661621936.db2.gz CSFCQSYRZKWAIN-AATRIKPKSA-N 1 0 383.286 2.729 20 0 GFADRO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+][C@H]1C[C@H](OC(C)(C)C)C1 ZINC000848566689 661665432 /nfs/dbraw/zinc/66/54/32/661665432.db2.gz FRKVBHCBUAWXGK-IHRRRGAJSA-N 1 0 389.949 2.640 20 0 GFADRO C[C@@H](C[NH2+]C[C@H](O)c1ccc(F)c(Br)c1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000848676612 661671984 /nfs/dbraw/zinc/67/19/84/661671984.db2.gz PNZXDXBEOPIUNS-JRATXPSKSA-N 1 0 389.309 2.709 20 0 GFADRO CS(=O)(=O)CC1(CNC(=[NH2+])Nc2cccc(OC(F)(F)F)c2)CCC1 ZINC000849117415 661693723 /nfs/dbraw/zinc/69/37/23/661693723.db2.gz DQYUMNPUJNIBTQ-UHFFFAOYSA-N 1 0 379.404 2.736 20 0 GFADRO O[C@@H]1CC[N@H+](Cc2ccc(CNC(=S)NCCc3cccs3)cc2)C1 ZINC000849281870 661702344 /nfs/dbraw/zinc/70/23/44/661702344.db2.gz PWHXLBZFIRPILW-QGZVFWFLSA-N 1 0 375.563 2.522 20 0 GFADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)NCc2sccc2Br)cn1 ZINC000849513927 661734281 /nfs/dbraw/zinc/73/42/81/661734281.db2.gz WZDMJJGFQDQZOM-STQMWFEESA-N 1 0 397.342 2.596 20 0 GFADRO COc1cncc(C[NH2+]C[C@@H](CO)Cc2ccc(F)c(Br)c2)c1 ZINC000850316665 661770143 /nfs/dbraw/zinc/77/01/43/661770143.db2.gz IECDYHLVIBOFJJ-AWEZNQCLSA-N 1 0 383.261 2.933 20 0 GFADRO CON(C)C(=O)[C@H](CCSC)[NH2+][C@@H](C)c1cncc(Br)c1 ZINC000850446587 661776839 /nfs/dbraw/zinc/77/68/39/661776839.db2.gz ZRXLGZKOBCBKEY-GWCFXTLKSA-N 1 0 376.320 2.636 20 0 GFADRO C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+]CC[S@](=O)CC(F)(F)F ZINC000850491958 661778930 /nfs/dbraw/zinc/77/89/30/661778930.db2.gz BJKIPJKVHBNAQL-OCDDVZBJSA-N 1 0 386.480 2.923 20 0 GFADRO CCC(C)(C)[C@H](C)[NH2+][C@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000850503021 661779773 /nfs/dbraw/zinc/77/97/73/661779773.db2.gz ZXHAKJZBSBCIRT-KGLIPLIRSA-N 1 0 390.571 2.888 20 0 GFADRO [NH3+]C1CC2(C1)CC(NS(=O)(=O)c1cc(Cl)ccc1OC(F)(F)F)C2 ZINC000850587361 661782097 /nfs/dbraw/zinc/78/20/97/661782097.db2.gz XKYYTHAVFCVOLM-UHFFFAOYSA-N 1 0 384.807 2.787 20 0 GFADRO CC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCC([C@@H]3CCC[NH2+]C3)CC2)c1 ZINC000850589559 661782645 /nfs/dbraw/zinc/78/26/45/661782645.db2.gz NKLHDARGKYRKDY-MRXNPFEDSA-N 1 0 384.929 2.943 20 0 GFADRO Cc1cc(S(=O)(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)cnc1Cl ZINC000850590638 661782762 /nfs/dbraw/zinc/78/27/62/661782762.db2.gz RVUHYKGJAMXDDB-HZPDHXFCSA-N 1 0 383.876 2.607 20 0 GFADRO [NH3+][C@@H]1CN(C(=O)Nc2cnc(Br)c(Br)c2)CC[C@H]1F ZINC000850729902 661789022 /nfs/dbraw/zinc/78/90/22/661789022.db2.gz OCMFYUPWMXMRMY-RKDXNWHRSA-N 1 0 396.058 2.510 20 0 GFADRO O=C(c1cc(Br)cc(N2CCCC2)c1)N1CCNC[C@H]1C(F)F ZINC000851636353 661827289 /nfs/dbraw/zinc/82/72/89/661827289.db2.gz RWTCCMRRQOWZMM-AWEZNQCLSA-N 1 0 388.256 2.728 20 0 GFADRO C[C@]1(C(=O)N2CCC3(CC[NH2+]CC3)CC2)CC1(Br)Br ZINC000851638654 661827537 /nfs/dbraw/zinc/82/75/37/661827537.db2.gz JDFZXFSRVBESBZ-GFCCVEGCSA-N 1 0 394.151 2.875 20 0 GFADRO CCOP(=O)(OCC)[C@@H](O)C[NH+]1CCN(c2cccc(F)c2F)CC1 ZINC000851773230 661831373 /nfs/dbraw/zinc/83/13/73/661831373.db2.gz ROXPBSKWYPLDFM-OAHLLOKOSA-N 1 0 378.356 2.671 20 0 GFADRO CCC[N@H+](C)CC(C)(C)NS(=O)(=O)c1ccc(Cl)c(C(=O)OC)c1 ZINC000851856920 661839392 /nfs/dbraw/zinc/83/93/92/661839392.db2.gz IRILVVZHELCPJL-UHFFFAOYSA-N 1 0 376.906 2.525 20 0 GFADRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCn3ncc(Br)c3C2)C1 ZINC000852004111 661848616 /nfs/dbraw/zinc/84/86/16/661848616.db2.gz DDZPDFQEFMFGAJ-CYBMUJFWSA-N 1 0 398.349 2.681 20 0 GFADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)N1CCc2ccc(Cl)c(Cl)c2C1 ZINC000852062241 661851142 /nfs/dbraw/zinc/85/11/42/661851142.db2.gz BEJHMMUFQMYHSE-UONOGXRCSA-N 1 0 384.307 2.924 20 0 GFADRO CSCCN1CCN(C(=O)OC(C)(C)C)CC[N@H+](CCSC)CC1 ZINC000852164151 661855093 /nfs/dbraw/zinc/85/50/93/661855093.db2.gz QXPNZYNFAHLVOX-UHFFFAOYSA-N 1 0 377.620 2.567 20 0 GFADRO C[C@H]1CCC[C@](CNC(=O)N2CCn3ncc(Br)c3C2)([NH+](C)C)C1 ZINC000852188019 661856039 /nfs/dbraw/zinc/85/60/39/661856039.db2.gz STWHFMPDBBXYCY-GUYCJALGSA-N 1 0 398.349 2.681 20 0 GFADRO COC[C@H]([NH2+]C[C@](C)(O)c1ccc(Br)cc1F)C1CCOCC1 ZINC000852321172 661860330 /nfs/dbraw/zinc/86/03/30/661860330.db2.gz JKXBIPUGKMFHBB-IRXDYDNUSA-N 1 0 390.293 2.827 20 0 GFADRO COC[C@@H]([NH2+]C[C@@H](O)c1ccc(F)c(Br)c1)C1CCOCC1 ZINC000852321857 661860338 /nfs/dbraw/zinc/86/03/38/661860338.db2.gz UMFSTRRFDMEBEL-HZPDHXFCSA-N 1 0 376.266 2.653 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)NC[C@@H](O)c2cccc(Br)c2)C1 ZINC000852468867 661865486 /nfs/dbraw/zinc/86/54/86/661865486.db2.gz RLISRYNLTHDWSO-LSDHHAIUSA-N 1 0 384.318 2.655 20 0 GFADRO CCN(CC)S(=O)(=O)c1cc(NC(=O)C=C2CC[NH2+]CC2)ccc1Cl ZINC000852802061 661874685 /nfs/dbraw/zinc/87/46/85/661874685.db2.gz BVNCIDJTQDMGDJ-UHFFFAOYSA-N 1 0 385.917 2.619 20 0 GFADRO O=C(C=C1CC[NH2+]CC1)Nc1ccnn1Cc1ccc(Br)cc1 ZINC000852805008 661874801 /nfs/dbraw/zinc/87/48/01/661874801.db2.gz LMQREONPYVVSEK-UHFFFAOYSA-N 1 0 375.270 2.942 20 0 GFADRO O=C(C=C1CC[NH2+]CC1)NCC1(c2cccc(Br)c2)CCOCC1 ZINC000852817784 661875144 /nfs/dbraw/zinc/87/51/44/661875144.db2.gz KTKOSFZTEGFVAN-UHFFFAOYSA-N 1 0 393.325 2.923 20 0 GFADRO COCC[NH2+]C1CCN(C(=O)C(F)(F)c2ccc(Br)cc2)CC1 ZINC000852835086 661875580 /nfs/dbraw/zinc/87/55/80/661875580.db2.gz CFRAGXBTXDINMT-UHFFFAOYSA-N 1 0 391.256 2.768 20 0 GFADRO CC(C)(C)n1cc(Br)c(C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)n1 ZINC000852878148 661876262 /nfs/dbraw/zinc/87/62/62/661876262.db2.gz MBANNIBCHZQOQH-DZGCQCFKSA-N 1 0 391.313 2.968 20 0 GFADRO C[C@]12CCN(C(=O)c3coc(C[NH3+])c3)C[C@H]1C2(Br)Br ZINC000852901542 661876780 /nfs/dbraw/zinc/87/67/80/661876780.db2.gz KCUKYLASJPVNEJ-PWSUYJOCSA-N 1 0 392.091 2.706 20 0 GFADRO O=C(CO[C@@H]1CCC[NH2+]C1)N1CCc2[nH]c3ccc(Br)cc3c2C1 ZINC000852904746 661877098 /nfs/dbraw/zinc/87/70/98/661877098.db2.gz GHVQMVRGNXBDEH-CYBMUJFWSA-N 1 0 392.297 2.584 20 0 GFADRO CN(C[C@H](O)C[NH2+]C[C@H](O)c1ccc(Cl)c(Cl)c1)C(=O)OC(C)(C)C ZINC000853115977 661882702 /nfs/dbraw/zinc/88/27/02/661882702.db2.gz FWMBAJJYJVIILM-DOMZBBRYSA-N 1 0 393.311 2.844 20 0 GFADRO C[C@@]12COC[C@]1(C)C[N@@H+](CN1CC(c3ccc(Br)cc3)=CC1=O)C2 ZINC000853541007 661891495 /nfs/dbraw/zinc/89/14/95/661891495.db2.gz COHUYPDRAFBUPK-KDURUIRLSA-N 1 0 391.309 2.991 20 0 GFADRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1c1nc(Cl)c(C(F)(F)F)cc1Cl ZINC000853708581 661898058 /nfs/dbraw/zinc/89/80/58/661898058.db2.gz GCDVYCCYKZKNFO-MRVPVSSYSA-N 1 0 385.217 2.963 20 0 GFADRO O=C1C[C@@H](c2noc(-c3sc4c(c3Br)C[NH2+]C4)n2)CN1C1CC1 ZINC000854141672 661916152 /nfs/dbraw/zinc/91/61/52/661916152.db2.gz KNIGFRVMNBDPBH-SSDOTTSWSA-N 1 0 395.282 2.642 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)[C@H]2Cc3cc(Br)ccc3O2)C1 ZINC000855161822 661974258 /nfs/dbraw/zinc/97/42/58/661974258.db2.gz SFTMUNQQJICDAT-MLGOLLRUSA-N 1 0 381.314 2.989 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)c1cn(-c2ccccc2Br)nn1 ZINC000855165934 661974773 /nfs/dbraw/zinc/97/47/73/661974773.db2.gz AQTKDAJYCSHILL-LBPRGKRZSA-N 1 0 392.301 2.632 20 0 GFADRO O=C([C@@H]1CCC[N@@H+]1Cc1ccccc1)N1CCn2ncc(Br)c2C1 ZINC000856009357 662014563 /nfs/dbraw/zinc/01/45/63/662014563.db2.gz FCYFFBPBMQISSZ-INIZCTEOSA-N 1 0 389.297 2.652 20 0 GFADRO C[NH+](C)CCC[C@@H]1CN(C(=O)c2cc(C(F)(F)F)cc(Cl)n2)CCO1 ZINC000856429607 662033480 /nfs/dbraw/zinc/03/34/80/662033480.db2.gz HKZGIYAUZGVPAJ-GFCCVEGCSA-N 1 0 379.810 2.937 20 0 GFADRO CS(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@H]2CCC[N@H+](CC3CC3)C2)c1 ZINC000856476315 662035446 /nfs/dbraw/zinc/03/54/46/662035446.db2.gz UVGPUWBFDCNMMW-CQSZACIVSA-N 1 0 384.929 2.595 20 0 GFADRO COc1cc(/C=C/C(=O)N2CC[NH2+][C@@H](C(C)C)C2)cc(Br)c1O ZINC000856485172 662035834 /nfs/dbraw/zinc/03/58/34/662035834.db2.gz LVECSLOBUZFPOU-ISZGNANSSA-N 1 0 383.286 2.633 20 0 GFADRO COc1cc(/C=C\C(=O)N2CC[NH2+][C@H](C(C)C)C2)cc(Br)c1O ZINC000856485174 662035916 /nfs/dbraw/zinc/03/59/16/662035916.db2.gz LVECSLOBUZFPOU-WSNITJDQSA-N 1 0 383.286 2.633 20 0 GFADRO Cn1nccc1[C@@H](O)C1CC[NH+](C[C@@H](O)c2ccc(Br)cc2)CC1 ZINC000856801092 662044618 /nfs/dbraw/zinc/04/46/18/662044618.db2.gz JZVXDRHAQXCLLG-MSOLQXFVSA-N 1 0 394.313 2.662 20 0 GFADRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)N2CC(O)(c3cccc(Br)c3)C2)C1 ZINC000856875453 662048929 /nfs/dbraw/zinc/04/89/29/662048929.db2.gz HTPWIMWMCMDGKH-CVEARBPZSA-N 1 0 396.329 2.535 20 0 GFADRO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000857009251 662058044 /nfs/dbraw/zinc/05/80/44/662058044.db2.gz XKCSHVBAOVYDGT-BBATYDOGSA-N 1 0 391.265 2.817 20 0 GFADRO CCn1nncc1C(=O)N1C[C@@H]([NH+](C)C)CCc2cc(Br)ccc21 ZINC000857881195 662093399 /nfs/dbraw/zinc/09/33/99/662093399.db2.gz RXYRTQPEOUUVPG-AWEZNQCLSA-N 1 0 392.301 2.584 20 0 GFADRO Cc1cccc([C@H](C[NH2+]Cc2cn(C)nc2Br)N2CCOCC2)c1 ZINC000858096395 662098552 /nfs/dbraw/zinc/09/85/52/662098552.db2.gz BIRJZHAXWXDYEW-KRWDZBQOSA-N 1 0 393.329 2.654 20 0 GFADRO COc1cc(OC)cc(OCCC[NH2+]Cc2cn(C)nc2Br)c1 ZINC000858149329 662101332 /nfs/dbraw/zinc/10/13/32/662101332.db2.gz HLZKQRLXPXVFGR-UHFFFAOYSA-N 1 0 384.274 2.759 20 0 GFADRO CON(C)C(=O)[C@H](C)[NH2+]Cc1cc(Br)cc(Br)c1 ZINC000858320037 662108167 /nfs/dbraw/zinc/10/81/67/662108167.db2.gz VXIZZXCJXSJARD-QMMMGPOBSA-N 1 0 380.080 2.710 20 0 GFADRO C[NH2+]CCC1CCN(S(=O)(=O)c2ccc(NC(=O)OC)c(Cl)c2)CC1 ZINC000858612111 662116400 /nfs/dbraw/zinc/11/64/00/662116400.db2.gz WHQNRFNQPYRVKU-UHFFFAOYSA-N 1 0 389.905 2.529 20 0 GFADRO C[NH+]1CCN(c2ccc(-c3noc([C@@H]4C[C@]4(C)Br)n3)nc2)CC1 ZINC000858799205 662123629 /nfs/dbraw/zinc/12/36/29/662123629.db2.gz CPSYVBLANVIYSD-LRDDRELGSA-N 1 0 378.274 2.524 20 0 GFADRO CCC[NH+]1CCC(NS(=O)(=O)c2ccc(NC(=O)OC)c(Cl)c2)CC1 ZINC000858882799 662125910 /nfs/dbraw/zinc/12/59/10/662125910.db2.gz HAHDSDLRLFUUME-UHFFFAOYSA-N 1 0 389.905 2.671 20 0 GFADRO COC(=O)Nc1ccc(S(=O)(=O)NCC[NH+](C(C)C)C(C)C)cc1Cl ZINC000858883543 662126350 /nfs/dbraw/zinc/12/63/50/662126350.db2.gz REJJJTDDISXDHX-UHFFFAOYSA-N 1 0 391.921 2.915 20 0 GFADRO COC(=O)Nc1ccc(S(=O)(=O)NCCCC[N@H+](C)C2CC2)cc1Cl ZINC000859184703 662143714 /nfs/dbraw/zinc/14/37/14/662143714.db2.gz FJMWOHXXPFYOMO-UHFFFAOYSA-N 1 0 389.905 2.671 20 0 GFADRO COC(=O)Nc1ccc(S(=O)(=O)N(C)CC[NH+]2CCCCC2)cc1Cl ZINC000859209814 662145096 /nfs/dbraw/zinc/14/50/96/662145096.db2.gz LJHOQGBWJQODIO-UHFFFAOYSA-N 1 0 389.905 2.625 20 0 GFADRO C[C@@H]1CC[C@@H](NC(=O)Nc2cnc(Br)c(Br)c2)C[NH2+]1 ZINC000859660703 662171499 /nfs/dbraw/zinc/17/14/99/662171499.db2.gz STPRVGCGFSAFKF-HTQZYQBOSA-N 1 0 392.095 2.869 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)Nc2ccc(Br)nc2)CC[C@@H]1C(F)(F)F ZINC000859663565 662171705 /nfs/dbraw/zinc/17/17/05/662171705.db2.gz RASPMABKXCRNJL-WPRPVWTQSA-N 1 0 381.196 2.835 20 0 GFADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)[C@H]1C[C@@]1(C)Br ZINC000859750294 662174385 /nfs/dbraw/zinc/17/43/85/662174385.db2.gz TXBYNNRRIABBHE-RDTXWAMCSA-N 1 0 396.329 2.949 20 0 GFADRO CC[NH+](CC)CCNC(=O)c1ccc(OC(=O)[C@@H]2C[C@@]2(C)Br)cc1 ZINC000860551700 662205229 /nfs/dbraw/zinc/20/52/29/662205229.db2.gz FRMKHWINCDQDSL-MAUKXSAKSA-N 1 0 397.313 2.837 20 0 GFADRO CO[C@@H]1C[N@H+](C)[C@](C)(COC(=O)[C@H](C)Oc2cccc(Br)c2)C1 ZINC000861348539 662241407 /nfs/dbraw/zinc/24/14/07/662241407.db2.gz USOXOWSJCWDOGH-NUTKFTJISA-N 1 0 386.286 2.869 20 0 GFADRO CO[C@@H](C(=O)OC[C@]1(C)C[C@H](OC)C[N@@H+]1C)c1ccccc1Br ZINC000861356364 662242089 /nfs/dbraw/zinc/24/20/89/662242089.db2.gz KBDAWCNZCPGABI-MJEQTWJJSA-N 1 0 386.286 2.789 20 0 GFADRO C[C@@H]1CC[C@@H](NC(=O)C(=O)Nc2ccc3cc(Br)ccc3c2)C[NH2+]1 ZINC000861523660 662248834 /nfs/dbraw/zinc/24/88/34/662248834.db2.gz JVCDXVWMQVCWNZ-BDJLRTHQSA-N 1 0 390.281 2.798 20 0 GFADRO C[C@@H]([NH3+])CN(C)C(=O)N[C@H](C)c1nc(-c2ccc(Br)cc2)no1 ZINC000861611258 662250703 /nfs/dbraw/zinc/25/07/03/662250703.db2.gz LOHDRYRPGRKYDU-NXEZZACHSA-N 1 0 382.262 2.549 20 0 GFADRO CSC1(CNC(=O)c2cc(Br)cnc2F)CC[NH+](C)CC1 ZINC000861770441 662258073 /nfs/dbraw/zinc/25/80/73/662258073.db2.gz ZZJWNBZMLYICLW-UHFFFAOYSA-N 1 0 376.295 2.540 20 0 GFADRO CC[C@H](C(=O)NCCN(C)CCC[NH+](C)C)c1ccc(Br)cc1 ZINC000862172090 662271943 /nfs/dbraw/zinc/27/19/43/662271943.db2.gz PLGHRUXTJWBWIT-KRWDZBQOSA-N 1 0 384.362 2.942 20 0 GFADRO CC[C@H]([NH2+]C[C@@H]1CC(F)(F)CN1C(=O)OC(C)(C)C)[C@@H](O)C(F)(F)F ZINC000862291460 662279291 /nfs/dbraw/zinc/27/92/91/662279291.db2.gz JUYBZDVRMKNEOQ-GARJFASQSA-N 1 0 376.366 2.923 20 0 GFADRO COCO[C@@H](C)c1cc(F)c(C[N@H+](C)CCC(N)=O)cc1Br ZINC000862366172 662283144 /nfs/dbraw/zinc/28/31/44/662283144.db2.gz MSMSCOQUVPSVIT-JTQLQIEISA-N 1 0 377.254 2.577 20 0 GFADRO COC(=O)C1=CC[C@@H]([NH2+]Cc2cnn(-c3ccc(Br)cc3)c2)C1 ZINC000862465795 662288407 /nfs/dbraw/zinc/28/84/07/662288407.db2.gz UPNCVBKPRYMJLJ-OAHLLOKOSA-N 1 0 376.254 2.986 20 0 GFADRO C[NH+](C)CCN1C[C@@H](C(=O)Nc2cccc(SC(F)(F)F)c2)CC1=O ZINC000863617293 662341149 /nfs/dbraw/zinc/34/11/49/662341149.db2.gz WCLLZCMGSSYQQX-NSHDSACASA-N 1 0 375.416 2.647 20 0 GFADRO C[NH+](C)[C@@H]1C[C@@H](NC(=O)c2cc3c(cc2Br)OCO3)C12CCC2 ZINC000864070356 662353482 /nfs/dbraw/zinc/35/34/82/662353482.db2.gz PUKQTFDMPMNTKV-HUUCEWRRSA-N 1 0 381.270 2.780 20 0 GFADRO Cc1cc(C)c(C(=O)N2CCC(O)(C[NH+](C)C)CC2)c(C)c1Br ZINC000864076242 662353716 /nfs/dbraw/zinc/35/37/16/662353716.db2.gz MBCOLIPQUOFWAG-UHFFFAOYSA-N 1 0 383.330 2.903 20 0 GFADRO C[NH+]1C[C@]2(C)CN(C(=O)c3cc4c(cc3Br)OCO4)C[C@@]2(C)C1 ZINC000864077686 662353742 /nfs/dbraw/zinc/35/37/42/662353742.db2.gz PRDSBHFRZILRSF-IAGOWNOFSA-N 1 0 381.270 2.592 20 0 GFADRO C[C@@]1(C(=O)N[C@@H]2CC[NH2+]CC(C)(C)C2)CC1(Br)Br ZINC000864087201 662354085 /nfs/dbraw/zinc/35/40/85/662354085.db2.gz NXWWCKSXRMBWRX-SKDRFNHKSA-N 1 0 382.140 2.777 20 0 GFADRO C[NH+]1CCN(c2ccc(NC(=O)c3c(F)cncc3Br)cc2)CC1 ZINC000864552246 662379560 /nfs/dbraw/zinc/37/95/60/662379560.db2.gz LKKOMISUICUFFN-UHFFFAOYSA-N 1 0 393.260 2.987 20 0 GFADRO O=S(=O)(c1oc2ccccc2c1Br)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000865211747 662404447 /nfs/dbraw/zinc/40/44/47/662404447.db2.gz AEKYNSVZTRLNLP-HNNXBMFYSA-N 1 0 385.283 2.569 20 0 GFADRO C[C@@H]1C[C@H](N2C(=O)[C@@H](c3ccc(Br)s3)N(C)C2=O)CC[N@@H+]1C ZINC000865301784 662410868 /nfs/dbraw/zinc/41/08/68/662410868.db2.gz MOVKMMOZOSLRGT-GIPNMCIBSA-N 1 0 386.315 2.928 20 0 GFADRO C[NH+]1CCN(C[C@H](NCc2cccnc2Br)c2ccccc2)CC1 ZINC000865446292 662422019 /nfs/dbraw/zinc/42/20/19/662422019.db2.gz RGPPDCDEMRFGNE-SFHVURJKSA-N 1 0 389.341 2.922 20 0 GFADRO C[C@@H](CNc1nc(-c2ccc(Br)cc2)no1)N1CC[NH+](C)CC1 ZINC000865503957 662425585 /nfs/dbraw/zinc/42/55/85/662425585.db2.gz ZYYHBVUHEFOVKW-LBPRGKRZSA-N 1 0 380.290 2.547 20 0 GFADRO CC(C)(C)S(=O)(=O)N1CCC([NH2+]Cc2cccnc2Br)CC1 ZINC000865542260 662427862 /nfs/dbraw/zinc/42/78/62/662427862.db2.gz TVBNXYDVTODSAI-UHFFFAOYSA-N 1 0 390.347 2.526 20 0 GFADRO Cc1cc(N2CCC[C@H]([NH2+]Cc3nccc(C)c3Br)C2)n(C)n1 ZINC000865544671 662428083 /nfs/dbraw/zinc/42/80/83/662428083.db2.gz ALUIISRLPYVQMJ-AWEZNQCLSA-N 1 0 378.318 2.953 20 0 GFADRO CC(C)(C)OC(=O)N[C@@H](C[NH2+][C@@H]1CCN(CC(F)F)C1)CC(F)(F)F ZINC000865605488 662431733 /nfs/dbraw/zinc/43/17/33/662431733.db2.gz BMOUTIFTJCNVAG-GHMZBOCLSA-N 1 0 375.382 2.761 20 0 GFADRO COCO[C@@H](C)c1cc(F)c(C[NH2+][C@@H]2COCC[C@H]2O)cc1Br ZINC000865750364 662441313 /nfs/dbraw/zinc/44/13/13/662441313.db2.gz ODIPEVOZBBAXQJ-AMKSKSKJSA-N 1 0 392.265 2.509 20 0 GFADRO O=C1OC[C@]2(C[NH2+]Cc3cnc(-c4ccc(Cl)cc4)s3)COCCN12 ZINC000865770807 662442320 /nfs/dbraw/zinc/44/23/20/662442320.db2.gz PIXBUMAESAASKT-KRWDZBQOSA-N 1 0 379.869 2.774 20 0 GFADRO Cn1c(Cl)nc(Cl)c1C[NH2+]C1CCN(CC(=O)OC(C)(C)C)CC1 ZINC000865775893 662442533 /nfs/dbraw/zinc/44/25/33/662442533.db2.gz CRUQRIRGAOXBMC-UHFFFAOYSA-N 1 0 377.316 2.623 20 0 GFADRO CC(C)[C@H](CNC(=O)c1ccc(SC(F)(F)F)o1)N1CC[NH+](C)CC1 ZINC000865786715 662443622 /nfs/dbraw/zinc/44/36/22/662443622.db2.gz SVXYQIWENFBDIH-LBPRGKRZSA-N 1 0 379.448 2.893 20 0 GFADRO Cc1cc(Br)cn2c(CNc3cc4n(n3)CC[N@@H+](C)C4)cnc12 ZINC000865844940 662447012 /nfs/dbraw/zinc/44/70/12/662447012.db2.gz KLXNYPVGEPYWEZ-UHFFFAOYSA-N 1 0 375.274 2.659 20 0 GFADRO C[C@@H](C[NH2+]Cc1nc2c(c(=O)[nH]1)COCC2)c1cccc(Br)c1 ZINC000865866340 662448046 /nfs/dbraw/zinc/44/80/46/662448046.db2.gz KAVWGDOWFVEWKR-NSHDSACASA-N 1 0 378.270 2.911 20 0 GFADRO O[C@H]1CC[N@@H+](C2CCN(c3nc(-c4ccc(Br)cc4)no3)CC2)C1 ZINC000865956815 662453567 /nfs/dbraw/zinc/45/35/67/662453567.db2.gz PECSUZNPMAYSKA-HNNXBMFYSA-N 1 0 393.285 2.535 20 0 GFADRO O=c1[nH]c(C[NH2+][C@@H]2CCc3cc(Br)ccc3C2)nc2c1COCC2 ZINC000866627265 662484439 /nfs/dbraw/zinc/48/44/39/662484439.db2.gz BLTHEYBMZBFRSM-CQSZACIVSA-N 1 0 390.281 2.665 20 0 GFADRO Cn1ncc(I)c1C[NH2+][C@H]1Cc2[nH]c3ccccc3c2C1 ZINC000866631666 662485909 /nfs/dbraw/zinc/48/59/09/662485909.db2.gz PGAUMHLOQBJTLW-SNVBAGLBSA-N 1 0 392.244 2.763 20 0 GFADRO C[NH+](C)C1(CS(=O)(=O)Oc2ccc(NC(=O)c3ccsc3)cc2)CC1 ZINC000866735630 662492975 /nfs/dbraw/zinc/49/29/75/662492975.db2.gz QZTLWAPDRBYMHO-UHFFFAOYSA-N 1 0 380.491 2.803 20 0 GFADRO O=S(=O)(c1oc2ccccc2c1Br)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000866762045 662495594 /nfs/dbraw/zinc/49/55/94/662495594.db2.gz HCEPXNMIZNMYDA-MRXNPFEDSA-N 1 0 399.310 2.960 20 0 GFADRO [NH3+][C@@H]1CN(S(=O)(=O)c2cc(Cl)cnc2Cl)C[C@H]1c1cccc(F)c1 ZINC000866772674 662496608 /nfs/dbraw/zinc/49/66/08/662496608.db2.gz WWQIHHIPUBRBOZ-QWHCGFSZSA-N 1 0 390.267 2.643 20 0 GFADRO CC(=O)c1cc(S(=O)(=O)N2CCCCC[C@H]([NH3+])C2)ccc1Br ZINC000866783313 662498255 /nfs/dbraw/zinc/49/82/55/662498255.db2.gz GFTTVMHDJIVRAW-LBPRGKRZSA-N 1 0 389.315 2.544 20 0 GFADRO C[NH+](C)C[C@@H]1CCN(S(=O)(=O)c2oc3ccccc3c2Br)C1 ZINC000866788931 662498651 /nfs/dbraw/zinc/49/86/51/662498651.db2.gz XMUGAMOMTDJNTQ-NSHDSACASA-N 1 0 387.299 2.768 20 0 GFADRO O=S(=O)(c1ccc2onc(Cl)c2c1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000866880143 662505896 /nfs/dbraw/zinc/50/58/96/662505896.db2.gz KVBRDERRRDYGSL-CYBMUJFWSA-N 1 0 383.901 2.978 20 0 GFADRO CC[NH+](CC)C[C@H]1CCN(S(=O)(=O)c2cc3nc(Cl)ncc3s2)C1 ZINC000866891445 662506631 /nfs/dbraw/zinc/50/66/31/662506631.db2.gz DQXPESFTSOGBKW-LLVKDONJSA-N 1 0 388.946 2.697 20 0 GFADRO COc1cccc(Br)c1CS(=O)(=O)N(C)CCCC[NH+](C)C ZINC000866919522 662508503 /nfs/dbraw/zinc/50/85/03/662508503.db2.gz KICYRVWWICUKHN-UHFFFAOYSA-N 1 0 393.347 2.561 20 0 GFADRO CCC1([NH+](C)C)CCN(S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)CC1 ZINC000867630744 662564129 /nfs/dbraw/zinc/56/41/29/662564129.db2.gz KNHVPHJYWTUDRV-UHFFFAOYSA-N 1 0 386.386 2.877 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)c2c(F)ccc(I)c2Cl)C1 ZINC000867968939 662589883 /nfs/dbraw/zinc/58/98/83/662589883.db2.gz IFTNCIQQYKVXRF-SFYZADRCSA-N 1 0 396.631 2.893 20 0 GFADRO COCCC1(NC(=O)Cc2sc(C)nc2-c2cccs2)CC[NH2+]CC1 ZINC000868043826 662592397 /nfs/dbraw/zinc/59/23/97/662592397.db2.gz VBTFXBQTAAPIDF-UHFFFAOYSA-N 1 0 379.551 2.997 20 0 GFADRO COC(=O)c1cc(Br)ccc1NC(=O)N1C2CCC1(C[NH3+])CC2 ZINC000868135915 662595607 /nfs/dbraw/zinc/59/56/07/662595607.db2.gz DESDFCUBNLGXKE-UHFFFAOYSA-N 1 0 382.258 2.723 20 0 GFADRO [NH3+][C@H]1C[C@H](CNC(=O)Nc2ccc(Cl)cc2I)C1 ZINC000868133697 662595633 /nfs/dbraw/zinc/59/56/33/662595633.db2.gz YALVLGWONFYLPJ-XWEPSHTISA-N 1 0 379.629 2.803 20 0 GFADRO COC(=O)c1cccc(NC(=O)N2CCC[C@H]3[NH2+]CC[C@H]32)c1Br ZINC000868155279 662596721 /nfs/dbraw/zinc/59/67/21/662596721.db2.gz NIPBSCULPBKSNU-DGCLKSJQSA-N 1 0 382.258 2.594 20 0 GFADRO [NH3+][C@H]1C[C@H](CNC(=O)Nc2ccc(-c3ccc(Br)s3)nn2)C1 ZINC000868154776 662596744 /nfs/dbraw/zinc/59/67/44/662596744.db2.gz LDZKBGQDLAAKDZ-KYZUINATSA-N 1 0 382.287 2.826 20 0 GFADRO [NH3+][C@H]1C[C@@H](CNC(=O)C(=O)Nc2cc(Cl)ccc2SCC(F)(F)F)C1 ZINC000868303184 662601311 /nfs/dbraw/zinc/60/13/11/662601311.db2.gz STTCJUKKGMRDMH-WAAGHKOSSA-N 1 0 395.834 2.786 20 0 GFADRO CC(C)n1ncc(C(=O)N[C@@H](C)C[N@H+](C)C(C)C)c1I ZINC000868423711 662604859 /nfs/dbraw/zinc/60/48/59/662604859.db2.gz POAVOGZTHQYBJY-NSHDSACASA-N 1 0 392.285 2.527 20 0 GFADRO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)NCc1ncc(Br)s1 ZINC000868777855 662618613 /nfs/dbraw/zinc/61/86/13/662618613.db2.gz BCNFMOWXDBHTIZ-NSHDSACASA-N 1 0 375.336 2.825 20 0 GFADRO Cc1cc(NC(=O)Cn2ccc(Br)cc2=O)ccc1C[NH+](C)C ZINC000868854125 662622056 /nfs/dbraw/zinc/62/20/56/662622056.db2.gz PYMXVHNLQLBMSB-UHFFFAOYSA-N 1 0 378.270 2.620 20 0 GFADRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)NCc2ncc(Br)s2)C1 ZINC000869193916 662633945 /nfs/dbraw/zinc/63/39/45/662633945.db2.gz AIIXBUHZIDJYGW-NSHDSACASA-N 1 0 375.336 2.825 20 0 GFADRO CSc1cc(C(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)ccc1Br ZINC000869299182 662640589 /nfs/dbraw/zinc/64/05/89/662640589.db2.gz MJOFHXFXSOXNSR-CQSZACIVSA-N 1 0 399.354 2.842 20 0 GFADRO CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)c2cc3c(cccc3Br)[nH]2)C1 ZINC000869781703 662662038 /nfs/dbraw/zinc/66/20/38/662662038.db2.gz VEMFKNMNTAXXIE-NSHDSACASA-N 1 0 380.286 2.505 20 0 GFADRO O=C(c1ccc2ccc(Br)cc2c1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000870914492 662708090 /nfs/dbraw/zinc/70/80/90/662708090.db2.gz OAUXGJMMDVTSHG-SFHVURJKSA-N 1 0 388.309 2.722 20 0 GFADRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)c1c(F)ccc(I)c1Cl ZINC000870940191 662709315 /nfs/dbraw/zinc/70/93/15/662709315.db2.gz IMQWWEGFCDLVCD-GMSGAONNSA-N 1 0 396.631 2.812 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)c2ccc(OC(F)(F)F)cc2Br)CCCO1 ZINC000870945272 662710421 /nfs/dbraw/zinc/71/04/21/662710421.db2.gz ICVHLJHKQOIQDT-SNVBAGLBSA-N 1 0 397.191 2.538 20 0 GFADRO COc1cc(I)ccc1C(=O)N[C@H](C)CCCC[NH3+] ZINC000870947762 662710891 /nfs/dbraw/zinc/71/08/91/662710891.db2.gz SKMWVYYQNXDXJA-SNVBAGLBSA-N 1 0 376.238 2.547 20 0 GFADRO C[C@H]1CC2(CN1C(=O)c1cc(Br)cn3ccnc13)CC[NH2+]CC2 ZINC000870949105 662711286 /nfs/dbraw/zinc/71/12/86/662711286.db2.gz SMOAHEFMRBUERS-LBPRGKRZSA-N 1 0 377.286 2.701 20 0 GFADRO CNC(=O)CC1(CNC(=O)[C@@H]([NH3+])c2cccc(Br)c2)CCCCC1 ZINC000870956110 662711448 /nfs/dbraw/zinc/71/14/48/662711448.db2.gz IEAYWGMDWHSIHR-INIZCTEOSA-N 1 0 396.329 2.652 20 0 GFADRO CCOc1cc(Br)c(CC(=O)NC[C@H]2C[C@@H]([NH3+])C2)cc1OCC ZINC000870967620 662711670 /nfs/dbraw/zinc/71/16/70/662711670.db2.gz GGRNJFDCNDNMPI-BJHJDKERSA-N 1 0 385.302 2.643 20 0 GFADRO O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1[C@@H]2Cc3ccc(Br)cc3[C@@H]21 ZINC000870973078 662711909 /nfs/dbraw/zinc/71/19/09/662711909.db2.gz ITNSINFMFMTLTJ-UQURQGMXSA-N 1 0 375.310 2.982 20 0 GFADRO C[C@@H](NC(=O)[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)C1CC[NH2+]CC1 ZINC000870984182 662712078 /nfs/dbraw/zinc/71/20/78/662712078.db2.gz IZCRSDMFWTYNKE-RISCZKNCSA-N 1 0 384.307 2.851 20 0 GFADRO C[C@@H](NC(=O)c1cc(=O)[nH]c2c(Br)cccc12)C1CC[NH2+]CC1 ZINC000870984461 662712219 /nfs/dbraw/zinc/71/22/19/662712219.db2.gz ULWSPZWRIBBAAT-SNVBAGLBSA-N 1 0 378.270 2.821 20 0 GFADRO Cn1c(-c2ccc(Br)s2)nnc1N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000871046219 662714287 /nfs/dbraw/zinc/71/42/87/662714287.db2.gz WBVKBQDZOFONQS-WDEREUQCSA-N 1 0 382.331 2.837 20 0 GFADRO CN(C)c1ncc(Br)cc1-c1nc(C2C[C@H]3CC[C@@H](C2)[NH2+]3)no1 ZINC000871796367 662734272 /nfs/dbraw/zinc/73/42/72/662734272.db2.gz RTKGFPVQVGFTKI-CLYYMRHHSA-N 1 0 378.274 2.958 20 0 GFADRO [NH3+]CC[C@@H]1CCCCN1S(=O)(=O)c1cc2c(cc1Cl)CCCC(=O)N2 ZINC000871806506 662734761 /nfs/dbraw/zinc/73/47/61/662734761.db2.gz CHYFFZQAGVWKFT-ZDUSSCGKSA-N 1 0 385.917 2.507 20 0 GFADRO COC(=O)N1CCC([NH2+]C[C@H](O)COc2cc(Cl)cc(Cl)c2)CC1 ZINC000871974564 662748293 /nfs/dbraw/zinc/74/82/93/662748293.db2.gz JMUNODUWJTUNIZ-AWEZNQCLSA-N 1 0 377.268 2.554 20 0 GFADRO CC(C)(O)C[C@H](O)C[NH2+]Cc1cc(Cl)ccc1I ZINC000871982299 662748966 /nfs/dbraw/zinc/74/89/66/662748966.db2.gz JWYFAHQCDYVKHD-NSHDSACASA-N 1 0 383.657 2.556 20 0 GFADRO CCOC(=O)[C@@H](C)C1C[NH+](CCC(=O)Nc2ccc(Br)cc2)C1 ZINC000871992107 662749913 /nfs/dbraw/zinc/74/99/13/662749913.db2.gz BUQRTHYYCDDZQD-LBPRGKRZSA-N 1 0 383.286 2.909 20 0 GFADRO CCOC(=O)[C@H](C)C1C[NH+](C[C@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000871993226 662750110 /nfs/dbraw/zinc/75/01/10/662750110.db2.gz NCIFYOBALIIKHZ-RISCZKNCSA-N 1 0 376.280 2.864 20 0 GFADRO O=C(C[NH2+][C@@H](c1cccc(Br)c1)[C@H]1CCOC1)NCC(F)(F)F ZINC000872027164 662754126 /nfs/dbraw/zinc/75/41/26/662754126.db2.gz IEHGWMDEEZTIIF-FZMZJTMJSA-N 1 0 395.219 2.795 20 0 GFADRO CC(C)(C)[C@@H]1C[C@@H]([NH2+]CC2CCN(S(=O)(=O)C(F)(F)F)CC2)CCO1 ZINC000872033590 662754353 /nfs/dbraw/zinc/75/43/53/662754353.db2.gz CKHBUYKTJDRXLB-KBPBESRZSA-N 1 0 386.480 2.731 20 0 GFADRO OCC1(C[NH2+][C@H](c2cccc(Br)c2)[C@H]2CCOC2)CCOCC1 ZINC000872050648 662754900 /nfs/dbraw/zinc/75/49/00/662754900.db2.gz AVZYZOJNHASPEY-DOTOQJQBSA-N 1 0 384.314 2.905 20 0 GFADRO OCCCN1CCC[C@@H]1C[NH2+][C@@H](c1cccc(Br)c1)[C@@H]1CCOC1 ZINC000872075643 662755272 /nfs/dbraw/zinc/75/52/72/662755272.db2.gz TUFGCGGFYZLUFW-QRQLOZEOSA-N 1 0 397.357 2.963 20 0 GFADRO CC(C)(C)[C@@H]1C[C@H]([NH2+]CCNC(=O)c2ccc(Br)cn2)CCO1 ZINC000872083986 662755621 /nfs/dbraw/zinc/75/56/21/662755621.db2.gz GDOTWPZETNDOKH-HIFRSBDPSA-N 1 0 384.318 2.757 20 0 GFADRO Cn1nccc1[C@H](CO)[NH2+][C@@H](c1cccc(Br)c1)[C@@H]1CCOC1 ZINC000872089105 662755627 /nfs/dbraw/zinc/75/56/27/662755627.db2.gz ZBUDVHJORLQRMZ-KMFMINBZSA-N 1 0 380.286 2.583 20 0 GFADRO COc1ccc(Cl)cc1NC(=O)CCN1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000872147757 662756679 /nfs/dbraw/zinc/75/66/79/662756679.db2.gz DKMDWAVNIBSONG-PWSUYJOCSA-N 1 0 379.810 2.746 20 0 GFADRO [NH3+]C[C@@H]1CN(CC(=O)NCCc2cccc(Cl)c2Cl)C[C@H]1C(F)(F)F ZINC000872151012 662756802 /nfs/dbraw/zinc/75/68/02/662756802.db2.gz SUVGWDYUIFJTFU-VXGBXAGGSA-N 1 0 398.256 2.721 20 0 GFADRO COc1ccc(Cl)cc1NC(=O)[C@H](C)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000872150032 662756850 /nfs/dbraw/zinc/75/68/50/662756850.db2.gz XGAXGPAKMMRVOB-NHCYSSNCSA-N 1 0 379.810 2.745 20 0 GFADRO [NH3+]C[C@@H]1CN([C@H]2CCCN(c3ccccc3Cl)C2=O)C[C@@H]1C(F)(F)F ZINC000872151760 662757029 /nfs/dbraw/zinc/75/70/29/662757029.db2.gz MLCWEHYNXSYKJC-XUJVJEKNSA-N 1 0 375.822 2.904 20 0 GFADRO [NH3+]C[C@@H]1CN([C@@H]2CCCN(c3ccccc3Cl)C2=O)C[C@@H]1C(F)(F)F ZINC000872151759 662757060 /nfs/dbraw/zinc/75/70/60/662757060.db2.gz MLCWEHYNXSYKJC-TYNCELHUSA-N 1 0 375.822 2.904 20 0 GFADRO O=C(NCc1noc(/C=C/[C@@H]2CCC[NH2+]C2)n1)c1ccc(Br)cc1 ZINC000872181924 662757453 /nfs/dbraw/zinc/75/74/53/662757453.db2.gz RYUVWVJAUWYUSH-DGDCUBRUSA-N 1 0 391.269 2.775 20 0 GFADRO O[C@@H](C[NH2+]C[C@@H]1C[C@H]1C1CCOCC1)COc1cccc(Br)c1 ZINC000872231768 662758546 /nfs/dbraw/zinc/75/85/46/662758546.db2.gz RIBZZQMHKSGGSU-ZVZYQTTQSA-N 1 0 384.314 2.841 20 0 GFADRO [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)Nc2ccnn2Cc2cccc(Br)c2)C1 ZINC000872264902 662759369 /nfs/dbraw/zinc/75/93/69/662759369.db2.gz GQVUSSVANZBVLL-DXCKQFNASA-N 1 0 375.270 2.760 20 0 GFADRO Cc1c(C(=O)N2CC[NH2+]CCC2(C)C)nnn1-c1cccc(Br)c1 ZINC000872294001 662759884 /nfs/dbraw/zinc/75/98/84/662759884.db2.gz PSKLWTXJMPOCLF-UHFFFAOYSA-N 1 0 392.301 2.552 20 0 GFADRO COC(=O)c1cc(S(=O)(=O)N2CCC(C)([NH+]3CCCCC3)CC2)cs1 ZINC000872529594 662775387 /nfs/dbraw/zinc/77/53/87/662775387.db2.gz JRCLHUOHODRHCZ-UHFFFAOYSA-N 1 0 386.539 2.564 20 0 GFADRO NC(=O)[C@H]1CCC[C@H]([NH2+]Cc2cccc(F)c2I)C1 ZINC000873056762 662797884 /nfs/dbraw/zinc/79/78/84/662797884.db2.gz ISPWRTNPHORXAI-ONGXEEELSA-N 1 0 376.213 2.564 20 0 GFADRO COc1c(Cl)cc(NC(=O)C(=O)N(C)CCCCCC[NH3+])cc1Cl ZINC000873110563 662800195 /nfs/dbraw/zinc/80/01/95/662800195.db2.gz UNWVLQOFSJOVLY-UHFFFAOYSA-N 1 0 376.284 2.918 20 0 GFADRO Cc1ccc(Br)c(F)c1C[NH2+]CC1(OCCO)CCOCC1 ZINC000873121178 662800517 /nfs/dbraw/zinc/80/05/17/662800517.db2.gz DTDJKMGVERIIRL-UHFFFAOYSA-N 1 0 376.266 2.544 20 0 GFADRO COC[C@@H]([NH2+]Cc1cccc(F)c1I)C1CCOCC1 ZINC000873133899 662801086 /nfs/dbraw/zinc/80/10/86/662801086.db2.gz IOASPYGINBSWJZ-CQSZACIVSA-N 1 0 393.240 2.962 20 0 GFADRO COc1c(Br)cccc1C[NH2+]CC1C[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000873170779 662802539 /nfs/dbraw/zinc/80/25/39/662802539.db2.gz LEBHEBWSKWUMIV-QXMXGUDHSA-N 1 0 388.327 2.903 20 0 GFADRO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2cncc(Br)c2)cc1OC ZINC000873192209 662803678 /nfs/dbraw/zinc/80/36/78/662803678.db2.gz ALOXLOBDCKCALZ-SFHVURJKSA-N 1 0 395.297 2.945 20 0 GFADRO Cc1cc(Br)cn2c(CN3C[C@H](C[NH3+])[C@H](C(F)(F)F)C3)cnc12 ZINC000873227039 662804194 /nfs/dbraw/zinc/80/41/94/662804194.db2.gz BHSXSBYUGHWEEU-GXFFZTMASA-N 1 0 391.235 2.974 20 0 GFADRO COc1ccc(Br)c(NC(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)c1 ZINC000873307265 662805060 /nfs/dbraw/zinc/80/50/60/662805060.db2.gz MEDJHUGVEASWMC-CYBMUJFWSA-N 1 0 398.301 2.738 20 0 GFADRO O=C(Nc1ccc(F)cc1I)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000873312042 662805112 /nfs/dbraw/zinc/80/51/12/662805112.db2.gz FDSHELFZULKDTA-TZMCWYRMSA-N 1 0 389.212 2.836 20 0 GFADRO COC(=O)c1ccc(NC(=O)N2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1Cl ZINC000873309965 662805138 /nfs/dbraw/zinc/80/51/38/662805138.db2.gz ROMQMULAJWFHIG-KWQFWETISA-N 1 0 379.766 2.728 20 0 GFADRO COc1ccccc1[C@@H]1CSCCCN1C(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000873333104 662805771 /nfs/dbraw/zinc/80/57/71/662805771.db2.gz OWTXRKOXLRFOMU-GXTWGEPZSA-N 1 0 377.432 2.774 20 0 GFADRO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)Nc1c(F)cc(Cl)cc1Br ZINC000873696234 662811998 /nfs/dbraw/zinc/81/19/98/662811998.db2.gz OIGCBNPZLQLWFM-QMMMGPOBSA-N 1 0 394.672 2.637 20 0 GFADRO CCc1ccc(Br)c(NC(=O)C(=O)N(C)CCCC[NH+](C)C)c1 ZINC000873827536 662815472 /nfs/dbraw/zinc/81/54/72/662815472.db2.gz IIVHROFSAVSEBH-UHFFFAOYSA-N 1 0 384.318 2.750 20 0 GFADRO CCc1ccc(Br)c(NC(=O)C(=O)N(C)[C@H]2CC[N@H+](C)C[C@@H]2C)c1 ZINC000873830025 662815652 /nfs/dbraw/zinc/81/56/52/662815652.db2.gz BNAUCDLAXDOFSC-LRDDRELGSA-N 1 0 396.329 2.749 20 0 GFADRO C[NH+]1CCC2(CCN(C(=O)C(=O)Nc3cccc(Br)c3)CC2)CC1 ZINC000874011618 662820983 /nfs/dbraw/zinc/82/09/83/662820983.db2.gz OGJVMHUPEOHFBR-UHFFFAOYSA-N 1 0 394.313 2.722 20 0 GFADRO CCn1ncc(C(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)c1Br ZINC000874115712 662823195 /nfs/dbraw/zinc/82/31/95/662823195.db2.gz JDUKQSGJUBNKFI-CQSZACIVSA-N 1 0 379.302 2.568 20 0 GFADRO Cc1ccc([C@H](CNC(=O)c2cc(N)nc(Br)c2)[NH+]2CCCC2)o1 ZINC000874270566 662827133 /nfs/dbraw/zinc/82/71/33/662827133.db2.gz YCILAOBFBOKKSK-ZDUSSCGKSA-N 1 0 393.285 2.895 20 0 GFADRO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)/C=C\c1ccc(I)o1 ZINC000874821309 662837259 /nfs/dbraw/zinc/83/72/59/662837259.db2.gz OAGRGEKVVZQJOJ-XEBOPQQMSA-N 1 0 386.233 2.593 20 0 GFADRO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)c1cnn(-c2ccccc2)c1Br ZINC000874834059 662837805 /nfs/dbraw/zinc/83/78/05/662837805.db2.gz OURLXIPPSXABQP-HOTGVXAUSA-N 1 0 389.297 2.944 20 0 GFADRO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)c1cc(F)ccc1I ZINC000874840743 662838068 /nfs/dbraw/zinc/83/80/68/662838068.db2.gz RBKCZGUSVODYAR-UONOGXRCSA-N 1 0 388.224 2.739 20 0 GFADRO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)c1ccc(I)c(F)c1 ZINC000874840346 662838075 /nfs/dbraw/zinc/83/80/75/662838075.db2.gz MRVJHTMRCOAFOW-KBPBESRZSA-N 1 0 388.224 2.739 20 0 GFADRO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)c1ccc(F)c(I)c1 ZINC000874838074 662838150 /nfs/dbraw/zinc/83/81/50/662838150.db2.gz MUAXEPLQOZSSHX-UONOGXRCSA-N 1 0 388.224 2.739 20 0 GFADRO Cc1ccc(NC(=O)c2ccnc(OCC[NH+](C)C)c2)c(Br)n1 ZINC000875474450 662846655 /nfs/dbraw/zinc/84/66/55/662846655.db2.gz XQHCVIQJOAMDCZ-UHFFFAOYSA-N 1 0 379.258 2.740 20 0 GFADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@H]2C(=O)Nc2cccc(Br)c2F)cn1 ZINC000875828212 662852691 /nfs/dbraw/zinc/85/26/91/662852691.db2.gz RDPJQUJIYAAQPI-OLZOCXBDSA-N 1 0 395.276 2.996 20 0 GFADRO CCN(CCC[NH+]1CCCC1)C(=O)NCc1ncc(Br)s1 ZINC000876286461 662859006 /nfs/dbraw/zinc/85/90/06/662859006.db2.gz GKYIMYAHPGHMAN-UHFFFAOYSA-N 1 0 375.336 2.923 20 0 GFADRO CSC(C)(C)CC[N@@H+]1CCCN(S(=O)(=O)c2c(C)noc2C)CC1 ZINC000876554394 662862696 /nfs/dbraw/zinc/86/26/96/662862696.db2.gz MGHVGTZZNVOPQM-UHFFFAOYSA-N 1 0 375.560 2.520 20 0 GFADRO COC(=O)C[C@H](NC(=O)/C=C/[C@@H]1CCC[NH2+]C1)c1ccc(Br)cc1 ZINC000876597465 662863228 /nfs/dbraw/zinc/86/32/28/662863228.db2.gz ZEWYQSNJGLHKCE-WVEXXGTRSA-N 1 0 395.297 2.725 20 0 GFADRO Cc1nc(NC(=O)[C@@H](N)C[NH+](C)C)sc1Cc1cccc(Br)c1 ZINC000876606515 662863306 /nfs/dbraw/zinc/86/33/06/662863306.db2.gz AOECHHJMRJWLAA-ZDUSSCGKSA-N 1 0 397.342 2.632 20 0 GFADRO O=C(/C=C\[C@@H]1CCC[NH2+]C1)NCCc1ccc(I)s1 ZINC000876646885 662864113 /nfs/dbraw/zinc/86/41/13/662864113.db2.gz YYGCCICWZPPPKH-UUSYTGMJSA-N 1 0 390.290 2.567 20 0 GFADRO COC[C@@]1(C(=O)Nc2ccc3cc(Br)ccc3c2)C[NH2+]CCO1 ZINC000876655197 662864301 /nfs/dbraw/zinc/86/43/01/662864301.db2.gz GRABQCKOKIZEJT-QGZVFWFLSA-N 1 0 379.254 2.546 20 0 GFADRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(Cc2cccnc2Br)CC1 ZINC000876653138 662864318 /nfs/dbraw/zinc/86/43/18/662864318.db2.gz OLILVAKOULXVCX-HZPDHXFCSA-N 1 0 381.362 2.835 20 0 GFADRO O=C(Nc1ccc(CCn2cc(Br)cn2)cc1)[C@@H](F)[C@H]1CC[NH2+]C1 ZINC000876677458 662864648 /nfs/dbraw/zinc/86/46/48/662864648.db2.gz OTWWFJWACLICKL-BBRMVZONSA-N 1 0 395.276 2.774 20 0 GFADRO C[C@H]([C@H](C)S(C)(=O)=O)[N@H+](C)C[C@@H]1CCCCN(C(=O)OC(C)(C)C)C1 ZINC000876738686 662865744 /nfs/dbraw/zinc/86/57/44/662865744.db2.gz JWFVUGANOCTAGC-PMPSAXMXSA-N 1 0 376.563 2.777 20 0 GFADRO C[NH+](C)C[C@H](N)C(=O)N(Cc1ccc(Cl)c(Cl)c1)Cc1ccccn1 ZINC000876876828 662867561 /nfs/dbraw/zinc/86/75/61/662867561.db2.gz VKXTXUAFYWUPCY-KRWDZBQOSA-N 1 0 381.307 2.806 20 0 GFADRO O=C(NC1CCC(N2CC[NH2+]CC2)CC1)C(=O)c1cc(Cl)cc(Cl)c1 ZINC000876913978 662868027 /nfs/dbraw/zinc/86/80/27/662868027.db2.gz MTBJFRCWXFSLQB-UHFFFAOYSA-N 1 0 384.307 2.509 20 0 GFADRO [NH3+][C@@H]1CCO[C@H](C2CCN(C(=O)C(=O)c3cc(Cl)cc(Cl)c3)CC2)C1 ZINC000876921244 662868156 /nfs/dbraw/zinc/86/81/56/662868156.db2.gz MYWYHHNLBMBIJT-CVEARBPZSA-N 1 0 385.291 2.921 20 0 GFADRO CCn1ncc(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)c1Br ZINC000876965558 662868745 /nfs/dbraw/zinc/86/87/45/662868745.db2.gz GKMSHHGVKKQFPU-UKRRQHHQSA-N 1 0 395.276 2.680 20 0 GFADRO C[C@@H]1[C@@H](c2ccc(Br)cc2)OCCN1C(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000876963376 662868752 /nfs/dbraw/zinc/86/87/52/662868752.db2.gz OFVZMJBMKVAJHR-HYNSBDGHSA-N 1 0 389.240 2.578 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)c2cc(F)cc3[nH]c(=S)[nH]c32)CC[C@H]1C(F)(F)F ZINC000877018185 662869668 /nfs/dbraw/zinc/86/96/68/662869668.db2.gz SUDJWXUGALBBBW-OIBJUYFYSA-N 1 0 376.379 2.590 20 0 GFADRO CC(C)n1ncc(C(=O)N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)c1Br ZINC000877018759 662869778 /nfs/dbraw/zinc/86/97/78/662869778.db2.gz QPKZGOAQTOQHKL-KOLCDFICSA-N 1 0 397.239 2.826 20 0 GFADRO Cn1c(C(=O)NC2(C[NH3+])CCOCC2)ccc1-c1ccccc1Br ZINC000877045258 662870203 /nfs/dbraw/zinc/87/02/03/662870203.db2.gz UCMIFTXKYZFVOD-UHFFFAOYSA-N 1 0 392.297 2.692 20 0 GFADRO CC(=O)N(c1nc(CNCCC[S@](C)=O)cs1)c1ccc(F)cc1F ZINC000877051102 662870236 /nfs/dbraw/zinc/87/02/36/662870236.db2.gz HGMWDRDRIYTZDX-VWLOTQADSA-N 1 0 387.477 2.964 20 0 GFADRO COC(=O)c1ccc(C[NH2+]CC[S@@](=O)C(C)(C)C)cc1Br ZINC000877054404 662870303 /nfs/dbraw/zinc/87/03/03/662870303.db2.gz DMQXAFJPKRPSOQ-OAQYLSRUSA-N 1 0 376.316 2.873 20 0 GFADRO C[C@H]([NH2+]Cc1ccc(S(N)(=O)=O)cc1)[C@@H](O)c1c(Cl)cccc1Cl ZINC000877068331 662870643 /nfs/dbraw/zinc/87/06/43/662870643.db2.gz OXDOWZMOTHLTRL-MGPLVRAMSA-N 1 0 389.304 2.853 20 0 GFADRO CCO[P@@](C)(=O)CC[C@@H](C)[NH2+]CCN(C)S(=O)(=O)c1cccs1 ZINC000877115098 662871201 /nfs/dbraw/zinc/87/12/01/662871201.db2.gz IWRKYPQAOWUIQP-LRTDBIEQSA-N 1 0 382.488 2.681 20 0 GFADRO C[C@@](O)(C[NH2+]Cc1cnn2cc(Br)cnc12)c1ccc(F)cc1 ZINC000877127410 662871466 /nfs/dbraw/zinc/87/14/66/662871466.db2.gz GOIYMNGGBILMMB-MRXNPFEDSA-N 1 0 379.233 2.628 20 0 GFADRO CN(CC(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1)C(=O)c1ccc(Br)o1 ZINC000877135959 662871535 /nfs/dbraw/zinc/87/15/35/662871535.db2.gz SEBGERWDKXUOHU-QWHCGFSZSA-N 1 0 392.253 2.567 20 0 GFADRO CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)c2sccc2S(=O)(=O)C(F)F)C1 ZINC000877257692 662872525 /nfs/dbraw/zinc/87/25/25/662872525.db2.gz FQGBJFBRBZZDTR-HNNXBMFYSA-N 1 0 380.482 2.582 20 0 GFADRO CCO[C@@H]1C[C@]([NH3+])(C(=O)N[C@@H]2[C@H]3Cc4ccc(Br)cc4[C@@H]23)C1(C)C ZINC000877262518 662872688 /nfs/dbraw/zinc/87/26/88/662872688.db2.gz QBSURGDUASZLAD-MEXWJNSZSA-N 1 0 393.325 2.736 20 0 GFADRO COc1cccc([C@H]([NH3+])C(=O)N[C@@H]2[C@H]3Cc4ccc(Br)cc4[C@@H]23)c1 ZINC000877261370 662872695 /nfs/dbraw/zinc/87/26/95/662872695.db2.gz MKQZIMZPXHVDJD-XWTMOSNGSA-N 1 0 387.277 2.912 20 0 GFADRO O=C(c1cc(=O)[nH]c2c(Br)cccc12)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000877276667 662872894 /nfs/dbraw/zinc/87/28/94/662872894.db2.gz BGFRGFLOOINFTG-ZIAGYGMSSA-N 1 0 376.254 2.669 20 0 GFADRO O=C(c1ccc(Cl)c(I)c1)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000877281734 662873145 /nfs/dbraw/zinc/87/31/45/662873145.db2.gz ALMIJADGSDYYRU-CHWSQXEVSA-N 1 0 390.652 2.911 20 0 GFADRO CC(C)(C)n1cc(Br)c(C(=O)N2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)n1 ZINC000877354479 662874091 /nfs/dbraw/zinc/87/40/91/662874091.db2.gz BEEUGGHRTIHPTA-DTWKUNHWSA-N 1 0 397.239 2.610 20 0 GFADRO CO[C@H](C(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1)c1ccccc1Br ZINC000877355893 662874210 /nfs/dbraw/zinc/87/42/10/662874210.db2.gz LFINVUFZIZARBE-GAFUQQFSSA-N 1 0 395.219 2.732 20 0 GFADRO CN(C)[C@H](C(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1)c1c(F)cccc1Cl ZINC000877359347 662874440 /nfs/dbraw/zinc/87/44/40/662874440.db2.gz GJEPOSYQOFNMFW-RULNRJAQSA-N 1 0 381.801 2.677 20 0 GFADRO COc1ccc(SC)c(OC)c1C(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000877360074 662874542 /nfs/dbraw/zinc/87/45/42/662874542.db2.gz VXMPSALNZVCPDI-VHSXEESVSA-N 1 0 378.416 2.635 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)CCOc2ccccc2Br)C[C@@H]1C(F)(F)F ZINC000877364929 662874747 /nfs/dbraw/zinc/87/47/47/662874747.db2.gz CCAUXJOHGWYPNW-MNOVXSKESA-N 1 0 395.219 2.814 20 0 GFADRO COc1ccc(Br)c(C(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)c1 ZINC000877369415 662874910 /nfs/dbraw/zinc/87/49/10/662874910.db2.gz YYOZURVAHTWMMJ-LDYMZIIASA-N 1 0 381.192 2.667 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)CSc2nc3ccccc3s2)C[C@H]1C(F)(F)F ZINC000877368483 662874949 /nfs/dbraw/zinc/87/49/49/662874949.db2.gz UJOJTJWCBAWNNT-NXEZZACHSA-N 1 0 375.441 2.984 20 0 GFADRO COC(=O)CC[C@H]1CCCN(C(=O)[C@H]([NH3+])c2cccc(Br)c2)C1 ZINC000877380355 662875046 /nfs/dbraw/zinc/87/50/46/662875046.db2.gz HXTCRAUQGCAUNW-MLGOLLRUSA-N 1 0 383.286 2.641 20 0 GFADRO [NH3+][C@@H](C[C@@H]1CCCN(C(=O)Cn2cc(Br)cn2)C1)C1CCCC1 ZINC000877447942 662876131 /nfs/dbraw/zinc/87/61/31/662876131.db2.gz OJFXSOXQSGTMBJ-BBRMVZONSA-N 1 0 383.334 2.792 20 0 GFADRO CCNC(=O)C1(C[NH2+]Cc2ccc(C(=O)OC)c(Br)c2)CCC1 ZINC000877475173 662876606 /nfs/dbraw/zinc/87/66/06/662876606.db2.gz NNCPYVVQEPJZIB-UHFFFAOYSA-N 1 0 383.286 2.632 20 0 GFADRO NS(=O)(=O)c1cccc(C[NH2+][C@H](c2cncc(Br)c2)C2CC2)c1 ZINC000877508577 662877383 /nfs/dbraw/zinc/87/73/83/662877383.db2.gz ZVOXCZUGCVNBOP-INIZCTEOSA-N 1 0 396.310 2.732 20 0 GFADRO CCO[P@@](C)(=O)CC[C@@H](C)[NH2+][C@H]1CCN(S(=O)(=O)c2ccccc2)C1 ZINC000877534660 662878312 /nfs/dbraw/zinc/87/83/12/662878312.db2.gz MWOGOEWXGRORIS-JRLRZGBRSA-N 1 0 388.470 2.762 20 0 GFADRO CCO[P@](C)(=O)CC[C@@H](C)[NH2+]CCn1cc(Br)ccc1=O ZINC000877556299 662878750 /nfs/dbraw/zinc/87/87/50/662878750.db2.gz OTYUQFKCKMYDOP-GTJPDFRWSA-N 1 0 379.235 2.923 20 0 GFADRO NS(=O)(=O)c1cccc(C[NH2+]C[C@@H]2CCN(c3ccccc3Cl)C2)c1 ZINC000877620575 662880059 /nfs/dbraw/zinc/88/00/59/662880059.db2.gz JYUINUZXUNTDAA-HNNXBMFYSA-N 1 0 379.913 2.604 20 0 GFADRO CCOC(=O)[C@]1(C[NH2+]Cc2nc(Cl)ccc2Br)CCCOC1 ZINC000877697725 662882249 /nfs/dbraw/zinc/88/22/49/662882249.db2.gz BJPBKGPBMGNTNK-HNNXBMFYSA-N 1 0 391.693 2.947 20 0 GFADRO O[C@H](C[NH+]1C[C@H]2CN(c3ccccc3)C[C@@H]2C1)c1cc(Br)no1 ZINC000877980043 662887381 /nfs/dbraw/zinc/88/73/81/662887381.db2.gz GRHNTBYBZLUWJQ-KCQAQPDRSA-N 1 0 378.270 2.539 20 0 GFADRO C[NH+]1CCC(NC(=O)CN2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)CC1 ZINC000878041764 662888822 /nfs/dbraw/zinc/88/88/22/662888822.db2.gz OQVLZCIEWZUSEX-QGZVFWFLSA-N 1 0 386.323 2.577 20 0 GFADRO Cn1ncc(Br)c1CC(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000878195869 662891450 /nfs/dbraw/zinc/89/14/50/662891450.db2.gz VJIUUXQEFOZVCC-UHFFFAOYSA-N 1 0 391.313 2.637 20 0 GFADRO C[N@H+](C[C@H](O)C[C@H](O)c1ccccc1)[C@@H](CO)c1cccc(Br)c1 ZINC000878328090 662893954 /nfs/dbraw/zinc/89/39/54/662893954.db2.gz AIUFOYPDUTYTOC-QYZOEREBSA-N 1 0 394.309 2.899 20 0 GFADRO OCC[C@H]([NH2+]C[C@H](O)C[C@H](O)c1ccccc1)c1ccccc1Br ZINC000878395636 662895261 /nfs/dbraw/zinc/89/52/61/662895261.db2.gz GBZCWPAALZCWBQ-MNEFBYGVSA-N 1 0 394.309 2.947 20 0 GFADRO OC[C@H]([NH2+]C[C@H](O)c1cc(Br)no1)c1ccc(C(F)(F)F)cc1 ZINC000878397200 662895347 /nfs/dbraw/zinc/89/53/47/662895347.db2.gz OTZYHGJNSQCRDV-QWRGUYRKSA-N 1 0 395.175 2.813 20 0 GFADRO CC[N@@H+]1CC[C@@H]1CNC(=O)Nc1cc(OC)ccc1I ZINC000878502889 662897566 /nfs/dbraw/zinc/89/75/66/662897566.db2.gz JLKHGQKZUFPMBD-SNVBAGLBSA-N 1 0 389.237 2.516 20 0 GFADRO C[C@](CO)([NH2+]CCc1ccc(C(N)=O)cc1)c1ccc(Br)cc1 ZINC000878603357 662899956 /nfs/dbraw/zinc/89/99/56/662899956.db2.gz YKFKASIKQMKVKL-GOSISDBHSA-N 1 0 377.282 2.588 20 0 GFADRO O[C@@H](C[N@@H+]1CCCN2c3ccccc3C[C@H]2C1)c1cc(Br)no1 ZINC000878627962 662901039 /nfs/dbraw/zinc/90/10/39/662901039.db2.gz CPGOVRGIHMTVBX-ZFWWWQNUSA-N 1 0 378.270 2.608 20 0 GFADRO Cc1cc2scc(CC(=O)NCCC[N@@H+]3CCC[C@H](C(N)=O)C3)c2s1 ZINC000878634558 662901056 /nfs/dbraw/zinc/90/10/56/662901056.db2.gz AEISXXCKHVPEEG-ZDUSSCGKSA-N 1 0 379.551 2.517 20 0 GFADRO C[C@@H](NCC(=O)NC1CC[NH+](C)CC1)c1cc(F)c(Br)cc1F ZINC000879033891 662914123 /nfs/dbraw/zinc/91/41/23/662914123.db2.gz SOKFUQHOZNJRMZ-SNVBAGLBSA-N 1 0 390.272 2.588 20 0 GFADRO NC(=O)Cc1cccc2c1CC[N@H+](C[C@@H](O)c1ccccc1Br)C2 ZINC000879231845 662921380 /nfs/dbraw/zinc/92/13/80/662921380.db2.gz GPRCMXQISPSKBG-GOSISDBHSA-N 1 0 389.293 2.569 20 0 GFADRO Cn1nc(Br)cc1NC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000879642328 662932296 /nfs/dbraw/zinc/93/22/96/662932296.db2.gz MWXOEOSFELYOEX-YPMHNXCESA-N 1 0 382.306 2.663 20 0 GFADRO COCC[N@H+](C[C@@H](O)COc1ccc(Cl)c(Cl)c1)C1CCOCC1 ZINC000879706975 662937562 /nfs/dbraw/zinc/93/75/62/662937562.db2.gz XKWFWMYJGMQHBM-CQSZACIVSA-N 1 0 378.296 2.861 20 0 GFADRO COCC[N@H+](CC(=O)Nc1ccc(Br)cc1F)C1CCOCC1 ZINC000879708035 662937570 /nfs/dbraw/zinc/93/75/70/662937570.db2.gz BTLGTDUWRXVPIG-UHFFFAOYSA-N 1 0 389.265 2.654 20 0 GFADRO Cn1cc(NC(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)c(Br)n1 ZINC000880058731 662948647 /nfs/dbraw/zinc/94/86/47/662948647.db2.gz YAWPXRJFZWGZMM-CQSZACIVSA-N 1 0 392.301 2.826 20 0 GFADRO Cn1cc(NC(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)c(Br)n1 ZINC000880061670 662949275 /nfs/dbraw/zinc/94/92/75/662949275.db2.gz YZGIBXSYFHEOPP-OCCSQVGLSA-N 1 0 378.274 2.750 20 0 GFADRO Cn1cc(NC(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)c(Br)n1 ZINC000880061668 662949317 /nfs/dbraw/zinc/94/93/17/662949317.db2.gz YZGIBXSYFHEOPP-GXTWGEPZSA-N 1 0 378.274 2.750 20 0 GFADRO OC[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1nnc(-c2ccc(Cl)cc2Cl)o1 ZINC000880071047 662950275 /nfs/dbraw/zinc/95/02/75/662950275.db2.gz RCNDSIUCPYGULK-QWHCGFSZSA-N 1 0 383.279 2.684 20 0 GFADRO O=C(N[C@@H]1CCC[N@@H+](CCCO)C1)c1cc(Br)ccc1C1CC1 ZINC000880169186 662953389 /nfs/dbraw/zinc/95/33/89/662953389.db2.gz NDJIYYCYZXGAOS-OAHLLOKOSA-N 1 0 381.314 2.903 20 0 GFADRO O[C@H](CN1CCC[C@@H]([NH2+]C2CCOCC2)C1)c1cccc(Br)c1 ZINC000880210542 662954673 /nfs/dbraw/zinc/95/46/73/662954673.db2.gz SSEZRPVEGWTCOT-QZTJIDSGSA-N 1 0 383.330 2.716 20 0 GFADRO O[C@H](COc1c(Cl)cccc1Cl)C[N@@H+]1C[C@@H](O)CC2(CCOCC2)C1 ZINC000880588877 662963673 /nfs/dbraw/zinc/96/36/73/662963673.db2.gz HWWAPQCFQYZESJ-KBPBESRZSA-N 1 0 390.307 2.597 20 0 GFADRO CN(C)Cc1cc(NC(=O)NC[C@@H](O)c2ccccc2Br)ccn1 ZINC000880614398 662964080 /nfs/dbraw/zinc/96/40/80/662964080.db2.gz VCKQYSVFDGVOIW-MRXNPFEDSA-N 1 0 393.285 2.761 20 0 GFADRO COc1cc(Br)ccc1NC(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000880628229 662964816 /nfs/dbraw/zinc/96/48/16/662964816.db2.gz SUFRPQCPYCATAK-CQSZACIVSA-N 1 0 398.301 2.521 20 0 GFADRO CC(=O)c1ccc(Br)c(NC(=O)NC[C@H]2CCC[N@@H+]2CCCO)c1 ZINC000880807862 662973748 /nfs/dbraw/zinc/97/37/48/662973748.db2.gz HWHRLAKAJNWRBZ-CQSZACIVSA-N 1 0 398.301 2.620 20 0 GFADRO Cn1ncc(Br)c1CC(=O)N1CCC(C)([NH+]2CCCCC2)CC1 ZINC000881454038 662994496 /nfs/dbraw/zinc/99/44/96/662994496.db2.gz HTMPKRJDXJBFNA-UHFFFAOYSA-N 1 0 383.334 2.592 20 0 GFADRO O=C(c1cc(O)cc(Br)c1)N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000881478853 662995553 /nfs/dbraw/zinc/99/55/53/662995553.db2.gz NMFDFYFITKSJOP-OAHLLOKOSA-N 1 0 383.286 2.528 20 0 GFADRO C[C@@H]1CN(C(=O)C(=O)c2ccc(Br)s2)CCN1c1cc[nH+]cc1 ZINC000881629805 662998099 /nfs/dbraw/zinc/99/80/99/662998099.db2.gz BITLORKTCWNXCY-LLVKDONJSA-N 1 0 394.294 2.826 20 0 GFADRO Cc1[nH]c(=O)c(Br)cc1C(=O)N1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000881632522 662998469 /nfs/dbraw/zinc/99/84/69/662998469.db2.gz BQUKFDJNQZUSIY-LLVKDONJSA-N 1 0 391.269 2.604 20 0 GFADRO Brc1nnc2ccc(N3CCC(C[NH+]4CCCCCC4)CC3)nn12 ZINC000881805889 663004198 /nfs/dbraw/zinc/00/41/98/663004198.db2.gz SYXMNYKCEVSTEL-UHFFFAOYSA-N 1 0 393.333 2.979 20 0 GFADRO CC[N@@H+]1CCCC[C@@H]1CNc1cnn(CC(F)(F)F)c(=O)c1Br ZINC000881963683 663011369 /nfs/dbraw/zinc/01/13/69/663011369.db2.gz DPPFFQCVSYZGDL-SNVBAGLBSA-N 1 0 397.239 2.854 20 0 GFADRO N=[S@@](=O)(c1ccc(N2CC[NH+](C[C@H]3CCOC3)CC2)cc1)C(F)(F)F ZINC000882060717 663015415 /nfs/dbraw/zinc/01/54/15/663015415.db2.gz SNDUEYWMSQOFHZ-YMXBGEKHSA-N 1 0 377.432 2.771 20 0 GFADRO CC[N@@H+]1CCCN(S(=O)(=O)c2cnc(Cl)cc2C(F)(F)F)[C@@H](C)C1 ZINC000882256267 663022666 /nfs/dbraw/zinc/02/26/66/663022666.db2.gz GKTVPQWPVWDSTM-JTQLQIEISA-N 1 0 385.839 2.859 20 0 GFADRO CC[N@@H+]1CC[C@@H]1CNC(=O)c1nn(-c2ccc(F)cc2)cc1Br ZINC000882486215 663028819 /nfs/dbraw/zinc/02/88/19/663028819.db2.gz IKZPHTFBBDHSBR-CYBMUJFWSA-N 1 0 381.249 2.598 20 0 GFADRO COc1cc2[nH+]ccc(NCC[C@@H]3CCCS3(=O)=O)c2cc1Br ZINC000882883179 663044384 /nfs/dbraw/zinc/04/43/84/663044384.db2.gz PYQVSPSPSFPBJP-NSHDSACASA-N 1 0 399.310 2.807 20 0 GFADRO CC(C)C[C@@H]([NH2+]Cc1c2c(nn1C)CCSC2)C(=O)Nc1nccs1 ZINC000883081333 663048129 /nfs/dbraw/zinc/04/81/29/663048129.db2.gz BIPWSSVSZNWLCO-CQSZACIVSA-N 1 0 379.555 2.809 20 0 GFADRO COC[C@H]([NH2+]C[C@@H](CO)Cc1ccc(Br)cc1)[C@@H]1CCCOC1 ZINC000883219562 663051558 /nfs/dbraw/zinc/05/15/58/663051558.db2.gz VWEOOHJXQDXESO-JZXOWHBKSA-N 1 0 386.330 2.631 20 0 GFADRO Cc1c(Br)cncc1C[NH2+]Cc1ccc(N2CCNC2=O)cc1 ZINC000883280648 663052278 /nfs/dbraw/zinc/05/22/78/663052278.db2.gz KAPQDOAVHKRXRO-UHFFFAOYSA-N 1 0 375.270 2.972 20 0 GFADRO O=S1(=O)CCC[C@@H]1CC[NH2+]Cc1cc(Cl)ccc1OC[C@H]1CCCO1 ZINC000883299520 663052970 /nfs/dbraw/zinc/05/29/70/663052970.db2.gz WXRHUBFBRWJZFB-IAGOWNOFSA-N 1 0 387.929 2.955 20 0 GFADRO C[C@@H]([NH2+]CC[C@H]1CCCS1(=O)=O)c1ccccc1I ZINC000883306114 663053223 /nfs/dbraw/zinc/05/32/23/663053223.db2.gz NSDGWOBNHQKULI-VXGBXAGGSA-N 1 0 393.290 2.909 20 0 GFADRO C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+][C@H]1C[C@H](S(C)(=O)=O)C1 ZINC000883373163 663054243 /nfs/dbraw/zinc/05/42/43/663054243.db2.gz CNIJVQPSHDCPNV-LERXQTSPSA-N 1 0 378.416 2.588 20 0 GFADRO CCOc1c(Br)cc(C[NH2+][C@H]2C[C@H](S(C)(=O)=O)C2)cc1OC ZINC000883378391 663054388 /nfs/dbraw/zinc/05/43/88/663054388.db2.gz KKWZNEBVFUVXLF-HAQNSBGRSA-N 1 0 392.315 2.522 20 0 GFADRO [NH3+]CCCN(CC(F)(F)F)S(=O)(=O)c1ccc2ccnc(Cl)c2c1 ZINC000883470844 663055652 /nfs/dbraw/zinc/05/56/52/663055652.db2.gz KAIDRDCNJMOCNK-UHFFFAOYSA-N 1 0 381.807 2.790 20 0 GFADRO [NH3+]Cc1nc2c(s1)CCN(S(=O)(=O)Cc1cc(Cl)cc(Cl)c1)C2 ZINC000883481365 663055929 /nfs/dbraw/zinc/05/59/29/663055929.db2.gz INSOEUJFWVMBEJ-UHFFFAOYSA-N 1 0 392.333 2.797 20 0 GFADRO CCC1([NH3+])CCN(S(=O)(=O)c2cccc(Br)c2Cl)CC1 ZINC000883483118 663056101 /nfs/dbraw/zinc/05/61/01/663056101.db2.gz UNAJWDMZCDSXJW-UHFFFAOYSA-N 1 0 381.723 2.995 20 0 GFADRO CCC1([NH3+])CCN(S(=O)(=O)c2cc(F)c(Br)cc2F)CC1 ZINC000883483919 663056199 /nfs/dbraw/zinc/05/61/99/663056199.db2.gz YVYKZEZEDSMWCE-UHFFFAOYSA-N 1 0 383.258 2.619 20 0 GFADRO CCOc1ccc(Br)cc1NC(=O)C(=O)N1CCC([NH3+])(CC)CC1 ZINC000883628136 663058354 /nfs/dbraw/zinc/05/83/54/663058354.db2.gz BMCYPVOJHIGLOP-UHFFFAOYSA-N 1 0 398.301 2.516 20 0 GFADRO COc1cccc(CCNC(=O)[C@H]([NH3+])c2ccc(Br)cc2)c1OC ZINC000884080792 663064694 /nfs/dbraw/zinc/06/46/94/663064694.db2.gz GAGVZOSKCHJEMM-MRXNPFEDSA-N 1 0 393.281 2.825 20 0 GFADRO CCCC(=O)NC[C@@H]1CCCN(C(=O)[C@H]([NH3+])c2ccc(Br)cc2)C1 ZINC000884114102 663065373 /nfs/dbraw/zinc/06/53/73/663065373.db2.gz IHJCHCNINDOMQP-SUMWQHHRSA-N 1 0 396.329 2.604 20 0 GFADRO Cc1nn(C)c(C)c1C[C@H](C)NC(=O)[C@@H]([NH3+])c1ccc(Br)cc1 ZINC000884155619 663066126 /nfs/dbraw/zinc/06/61/26/663066126.db2.gz GSPMLIRCBJMBKV-QFYYESIMSA-N 1 0 379.302 2.547 20 0 GFADRO [NH3+][C@H](C(=O)N1CCN(c2ccccc2O)CC1)c1ccc(Br)cc1 ZINC000884175759 663066629 /nfs/dbraw/zinc/06/66/29/663066629.db2.gz GCSRENJDVSPJNI-KRWDZBQOSA-N 1 0 390.281 2.503 20 0 GFADRO C[C@@H](NC(=O)[C@@H]([NH3+])c1ccc(Br)cc1)c1nnc2n1CCCCC2 ZINC000884182785 663066635 /nfs/dbraw/zinc/06/66/35/663066635.db2.gz TVNBQTXDMGUOAX-ABAIWWIYSA-N 1 0 392.301 2.644 20 0 GFADRO Cc1csc(C[C@@H]2CCCN(C(=O)NC[C@]3([NH+](C)C)CCSC3)C2)n1 ZINC000884196950 663066885 /nfs/dbraw/zinc/06/68/85/663066885.db2.gz GPCUXMMLGRQCKJ-MAUKXSAKSA-N 1 0 382.599 2.853 20 0 GFADRO O=C(Cc1csc(-c2sccc2Br)n1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000884276652 663067898 /nfs/dbraw/zinc/06/78/98/663067898.db2.gz WIXRKAVPCUHLLG-AOOOYVTPSA-N 1 0 398.351 2.854 20 0 GFADRO O=C(NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1)N1C[C@@H]2CSC[C@@H]2C1 ZINC000884309159 663068639 /nfs/dbraw/zinc/06/86/39/663068639.db2.gz NVRJLBFLBWQDJH-AVJIGQEQSA-N 1 0 377.476 2.796 20 0 GFADRO C[C@H](NC(=O)[C@@H]([NH3+])c1ccc(Br)cc1)[C@@H](O)Cc1ccccc1 ZINC000884328477 663069180 /nfs/dbraw/zinc/06/91/80/663069180.db2.gz QTOSNXGZOSFSFW-ZLIFDBKOSA-N 1 0 377.282 2.557 20 0 GFADRO O=C(NC1CCC(N2CC[NH2+]CC2)CC1)c1cc2c(cncc2Cl)s1 ZINC000884338393 663069276 /nfs/dbraw/zinc/06/92/76/663069276.db2.gz GNVWGISHRTWASV-UHFFFAOYSA-N 1 0 378.929 2.896 20 0 GFADRO CCC1([NH+]2CCC2)CCN(C(=O)NCCCn2cc(Br)cn2)CC1 ZINC000884352436 663069482 /nfs/dbraw/zinc/06/94/82/663069482.db2.gz INEYTJBGWQSVBH-UHFFFAOYSA-N 1 0 398.349 2.696 20 0 GFADRO COC(=O)C(C)(C)[C@@H]1CCCN(C(=O)[C@H]([NH3+])c2ccc(Br)cc2)C1 ZINC000884379170 663069912 /nfs/dbraw/zinc/06/99/12/663069912.db2.gz PNVCAQYUDJTSJQ-UKRRQHHQSA-N 1 0 397.313 2.887 20 0 GFADRO CC1(C)Cc2n[nH]cc2CN(C(=O)[C@H]([NH3+])c2ccc(Br)cc2)C1 ZINC000884425136 663070521 /nfs/dbraw/zinc/07/05/21/663070521.db2.gz YIFKTLGCBVFFTR-OAHLLOKOSA-N 1 0 377.286 2.783 20 0 GFADRO O=S(=O)(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(OCC(F)(F)F)cc1 ZINC000884949937 663079190 /nfs/dbraw/zinc/07/91/90/663079190.db2.gz ITMWPKWKZPDRIZ-QWHCGFSZSA-N 1 0 378.416 2.533 20 0 GFADRO Cc1cc(Br)c(S(=O)(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)s1 ZINC000884953140 663079350 /nfs/dbraw/zinc/07/93/50/663079350.db2.gz USIURZSJKRHTCD-QWRGUYRKSA-N 1 0 379.345 2.724 20 0 GFADRO Cc1c(Br)cccc1CS(=O)(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000884958788 663079823 /nfs/dbraw/zinc/07/98/23/663079823.db2.gz DQXMRAMYFZGESD-GJZGRUSLSA-N 1 0 387.343 2.804 20 0 GFADRO C[NH+](C)CCCCC(=O)N1CCC[C@](O)(c2ccc(Br)cc2)C1 ZINC000884967866 663080445 /nfs/dbraw/zinc/08/04/45/663080445.db2.gz IYKOJCOWIYMLTQ-GOSISDBHSA-N 1 0 383.330 2.991 20 0 GFADRO C[N@@H+]1CC[C@@H](CC(=O)N2CCC[C@@](O)(c3ccc(Br)cc3)C2)C1 ZINC000884968335 663080660 /nfs/dbraw/zinc/08/06/60/663080660.db2.gz AIRMNIQPEGHTCH-KSSFIOAISA-N 1 0 381.314 2.601 20 0 GFADRO Cc1cnc(Cl)c(S(=O)(=O)N(C)c2ccc(OCC[NH+](C)C)cc2)c1 ZINC000885007479 663082861 /nfs/dbraw/zinc/08/28/61/663082861.db2.gz AZVBGPJDWJNNSC-UHFFFAOYSA-N 1 0 383.901 2.809 20 0 GFADRO C[C@H](Oc1cccc(Br)c1)C(=O)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000885872433 663099751 /nfs/dbraw/zinc/09/97/51/663099751.db2.gz FYCOVWDGDYYKGI-BBRMVZONSA-N 1 0 397.313 2.586 20 0 GFADRO Cc1c(Br)ccc(C(=O)NC[C@@H]2CC[N@@H+]2C2CCOCC2)c1F ZINC000885883292 663100396 /nfs/dbraw/zinc/10/03/96/663100396.db2.gz QIKASRKNKJHJLU-ZDUSSCGKSA-N 1 0 385.277 2.880 20 0 GFADRO Cc1ccc(CC(=O)NC[C@@H]2CC[N@@H+]2C2CCOCC2)c(Br)c1 ZINC000885888100 663100494 /nfs/dbraw/zinc/10/04/94/663100494.db2.gz BPGUNICHCBOIAV-INIZCTEOSA-N 1 0 381.314 2.670 20 0 GFADRO O=C(NC[C@@H]1CC[N@@H+]1C1CCOCC1)c1nc(Br)sc1Cl ZINC000885889215 663100578 /nfs/dbraw/zinc/10/05/78/663100578.db2.gz YZCKXKODHTYQSI-VIFPVBQESA-N 1 0 394.722 2.542 20 0 GFADRO CCc1ccc(Br)cc1C(=O)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000885895127 663100759 /nfs/dbraw/zinc/10/07/59/663100759.db2.gz AAWMQKATJQTKHB-INIZCTEOSA-N 1 0 381.314 2.995 20 0 GFADRO C[C@@H]([NH2+]Cc1cc(Br)c(Br)s1)C(=O)NCCF ZINC000886106899 663103424 /nfs/dbraw/zinc/10/34/24/663103424.db2.gz GFXPWSSUJYJZMP-ZCFIWIBFSA-N 1 0 388.100 2.837 20 0 GFADRO Cc1nn(-c2cccc(Br)c2)cc1C[NH2+][C@H](CO)C[C@@H]1CCCO1 ZINC000886220093 663105174 /nfs/dbraw/zinc/10/51/74/663105174.db2.gz BQMDWYFKLJGRIL-WMZOPIPTSA-N 1 0 394.313 2.963 20 0 GFADRO OC[C@@H](C[C@@H]1CCCO1)[NH2+]Cc1c[nH]nc1-c1ccc(Br)s1 ZINC000886220496 663105182 /nfs/dbraw/zinc/10/51/82/663105182.db2.gz JFDAVAWQARPPEJ-NEPJUHHUSA-N 1 0 386.315 2.920 20 0 GFADRO OC[C@@H](C[C@@H]1CCCO1)[NH2+]C1CCN(Cc2ccccc2Br)CC1 ZINC000886226959 663105308 /nfs/dbraw/zinc/10/53/08/663105308.db2.gz UKTURYODUUULCJ-MSOLQXFVSA-N 1 0 397.357 2.933 20 0 GFADRO CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]C[C@H](O)Cc1ccc(F)cc1 ZINC000886239396 663105584 /nfs/dbraw/zinc/10/55/84/663105584.db2.gz VZGOMYPGEDEHRS-MRXNPFEDSA-N 1 0 385.888 2.966 20 0 GFADRO O[C@@H]1CC[C@H]([NH2+]Cc2nc(-c3cccc(Br)c3)c[nH]2)CC[C@@H]1O ZINC000886259612 663106307 /nfs/dbraw/zinc/10/63/07/663106307.db2.gz CWDAUJXUQNIXPR-RBVVOMGSSA-N 1 0 380.286 2.593 20 0 GFADRO C[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+]Cc1ccc(OC(F)F)c(Br)c1 ZINC000886294845 663107661 /nfs/dbraw/zinc/10/76/61/663107661.db2.gz YNOOQSNKPSVXKV-KCJUWKMLSA-N 1 0 384.242 2.573 20 0 GFADRO COc1ncc(Br)cc1C[NH2+]C[C@@H]1CC[C@]2(CO[C@H](C)[C@H]2C)O1 ZINC000886336931 663108569 /nfs/dbraw/zinc/10/85/69/663108569.db2.gz YOOCORCRNCAZSA-BKBUGSPTSA-N 1 0 385.302 2.915 20 0 GFADRO C[C@H]([NH2+][C@H](CO)C[C@H]1CCCO1)c1ccc(I)cc1 ZINC000886666630 663115304 /nfs/dbraw/zinc/11/53/04/663115304.db2.gz WRWZWPDLCSBUFI-TUKIKUTGSA-N 1 0 375.250 2.872 20 0 GFADRO C[C@@H]([NH2+]CCc1nnc2c(=O)n(C)ccn12)c1cc(F)c(Cl)cc1Cl ZINC000886696233 663115768 /nfs/dbraw/zinc/11/57/68/663115768.db2.gz JUNOGUCEDJUJFD-SECBINFHSA-N 1 0 384.242 2.767 20 0 GFADRO OC[C@@]1(C(F)(F)F)CC[N@H+](C[C@H](O)COc2cc(Cl)cc(Cl)c2)C1 ZINC000886813821 663119968 /nfs/dbraw/zinc/11/99/68/663119968.db2.gz VTYDXBWLFDEYHY-GXTWGEPZSA-N 1 0 388.213 2.980 20 0 GFADRO O=S(=O)(NC[C@@H]1C[NH2+]CCC1(F)F)c1cc(Cl)ccc1C(F)(F)F ZINC000886898262 663124050 /nfs/dbraw/zinc/12/40/50/663124050.db2.gz WQNXNHBKFYMODF-QMMMGPOBSA-N 1 0 392.777 2.882 20 0 GFADRO COC[C@H]([NH2+]CC(=O)NCCc1cccc(Cl)c1Cl)[C@@H]1CCCOC1 ZINC000886910519 663124574 /nfs/dbraw/zinc/12/45/74/663124574.db2.gz RVIRZBXBLUCYDL-ZBFHGGJFSA-N 1 0 389.323 2.683 20 0 GFADRO COC[C@H]([NH2+][C@H](C)C(=O)Nc1ccc(Br)cc1)[C@H]1CCCOC1 ZINC000886909552 663124615 /nfs/dbraw/zinc/12/46/15/663124615.db2.gz BHVCTCRVJCYYSD-WWGRRREGSA-N 1 0 385.302 2.807 20 0 GFADRO COC[C@H]([NH2+]CC(=O)N(C)Cc1cc(Cl)cc(Cl)c1)[C@@H]1CCCOC1 ZINC000886910842 663124633 /nfs/dbraw/zinc/12/46/33/663124633.db2.gz WPKMJSZFWJCPMD-PBHICJAKSA-N 1 0 389.323 2.983 20 0 GFADRO COC[C@H]([NH2+]CCC(=O)Nc1cccc(Br)c1)[C@@H]1CCCOC1 ZINC000886913533 663124704 /nfs/dbraw/zinc/12/47/04/663124704.db2.gz DSFINCXEYGAIJZ-CJNGLKHVSA-N 1 0 385.302 2.809 20 0 GFADRO CCN(C(=O)C(=O)Nc1cccnc1-c1ccc(Cl)s1)[C@@H]1CC[NH2+]C1 ZINC000887004285 663128490 /nfs/dbraw/zinc/12/84/90/663128490.db2.gz KVQWCFYNVGESBB-LLVKDONJSA-N 1 0 378.885 2.612 20 0 GFADRO C[C@@H](Cc1nc(-c2cn(C[C@H]3CCC[NH2+]3)nn2)cs1)n1cc(Cl)cn1 ZINC000887446667 663146752 /nfs/dbraw/zinc/14/67/52/663146752.db2.gz HVRFUWWCGHGCRM-WCQYABFASA-N 1 0 377.905 2.807 20 0 GFADRO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)c1cn(C)nc1Br ZINC000887857738 663165626 /nfs/dbraw/zinc/16/56/26/663165626.db2.gz PEVDVKJQPLNIAH-CJNGLKHVSA-N 1 0 389.297 2.939 20 0 GFADRO COc1ccc(C[NH+](C)C)cc1NC(=O)c1nn2c(c1Br)CCC2 ZINC000888139285 663180305 /nfs/dbraw/zinc/18/03/05/663180305.db2.gz OUNZFNMREFVETC-UHFFFAOYSA-N 1 0 393.285 2.914 20 0 GFADRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2cn(C)nc2Br)C1 ZINC000888370272 663191292 /nfs/dbraw/zinc/19/12/92/663191292.db2.gz CSWZDOVBNYZXAU-JSGCOSHPSA-N 1 0 377.286 2.748 20 0 GFADRO C[NH+](C)CCN(C(=O)c1nn2c(c1Br)CCC2)C1CCCCC1 ZINC000888500559 663201419 /nfs/dbraw/zinc/20/14/19/663201419.db2.gz CBAFZZBDXGISJE-UHFFFAOYSA-N 1 0 383.334 2.928 20 0 GFADRO CSc1cc(C(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)ccc1Br ZINC000889744390 663262583 /nfs/dbraw/zinc/26/25/83/663262583.db2.gz MIAZTABDYMHCLK-HUUCEWRRSA-N 1 0 399.354 2.842 20 0 GFADRO O=C(CCc1cc(Br)cs1)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000889770881 663265496 /nfs/dbraw/zinc/26/54/96/663265496.db2.gz WHRMRIPWQNIKAC-GJZGRUSLSA-N 1 0 387.343 2.501 20 0 GFADRO O=C(c1cc(Cl)ccc1Br)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000889775131 663266072 /nfs/dbraw/zinc/26/60/72/663266072.db2.gz LKJKFHHPORIYLX-HUUCEWRRSA-N 1 0 387.705 2.774 20 0 GFADRO COC(=O)c1cc2nc(NC(=O)CCCC[NH+](C)C)[nH]c2c(Br)c1 ZINC000891093297 663324973 /nfs/dbraw/zinc/32/49/73/663324973.db2.gz OPGUXRMTTPZJOM-UHFFFAOYSA-N 1 0 397.273 2.782 20 0 GFADRO CC[NH+]1CCC(NC(=O)CSCC(=O)OC(C)(C)C)(C(F)(F)F)CC1 ZINC000891208248 663329823 /nfs/dbraw/zinc/32/98/23/663329823.db2.gz SLTRMFWKNMNZQE-UHFFFAOYSA-N 1 0 384.464 2.594 20 0 GFADRO COCCC1(NC(=O)N[C@@H](C)Cc2ccc(Br)cc2)CC[NH2+]CC1 ZINC000891378793 663337865 /nfs/dbraw/zinc/33/78/65/663337865.db2.gz WYEYHQUQVUFBEL-AWEZNQCLSA-N 1 0 398.345 2.838 20 0 GFADRO CN(C(=O)c1cn(C)nc1Br)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000891388019 663338150 /nfs/dbraw/zinc/33/81/50/663338150.db2.gz HQKBTLDMODHULM-UHFFFAOYSA-N 1 0 397.239 2.671 20 0 GFADRO Cn1nc(CNC(=O)NC[C@H](c2cccs2)[NH+](C)C)cc1C(F)(F)F ZINC000891509161 663341759 /nfs/dbraw/zinc/34/17/59/663341759.db2.gz PFXAFGICXAGPPB-LLVKDONJSA-N 1 0 375.420 2.603 20 0 GFADRO C[C@H]1C[C@H]([NH3+])CN1C(=O)NCCCOc1ncc(C(F)(F)F)cc1Cl ZINC000891721024 663348756 /nfs/dbraw/zinc/34/87/56/663348756.db2.gz QTQQKTBMBMVOLN-ONGXEEELSA-N 1 0 380.798 2.654 20 0 GFADRO [NH3+]Cc1nc2c(s1)CCN(C(=O)NCCSCc1ccnc(Cl)c1)C2 ZINC000891780959 663350137 /nfs/dbraw/zinc/35/01/37/663350137.db2.gz VTYAHBJBMOFURM-UHFFFAOYSA-N 1 0 397.957 2.651 20 0 GFADRO CC1(CNC(=O)N[C@@H]2[C@H]3Cc4cc(Br)ccc4[C@@H]23)CC[NH2+]CC1 ZINC000892052656 663360347 /nfs/dbraw/zinc/36/03/47/663360347.db2.gz AFPHVTROLJNXLV-ARFHVFGLSA-N 1 0 378.314 2.776 20 0 GFADRO CC1(CNC(=O)N[C@@H]2[C@H]3Cc4c(cccc4Br)[C@@H]23)CC[NH2+]CC1 ZINC000892054855 663360660 /nfs/dbraw/zinc/36/06/60/663360660.db2.gz WREQQJBVGCCJRH-NUEKZKHPSA-N 1 0 378.314 2.776 20 0 GFADRO C[C@H]([NH3+])C[C@H](C)NC(=O)NCc1ccn(-c2ccc(Br)cc2)n1 ZINC000892198266 663365469 /nfs/dbraw/zinc/36/54/69/663365469.db2.gz JQNQCQKHKCRLGP-RYUDHWBXSA-N 1 0 380.290 2.560 20 0 GFADRO COC[C@H](NC(=O)N[C@@H]1CC[NH2+]C12CCC2)c1cccc(Br)c1 ZINC000892275569 663367955 /nfs/dbraw/zinc/36/79/55/663367955.db2.gz XSYQQEAGFMLJHG-LSDHHAIUSA-N 1 0 382.302 2.720 20 0 GFADRO COc1ncc(Br)cc1CNC(=O)N1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000892281807 663368158 /nfs/dbraw/zinc/36/81/58/663368158.db2.gz ODEYYNMPWLGLJY-KRWDZBQOSA-N 1 0 399.333 2.759 20 0 GFADRO Cc1[nH+]ccc(N2CCC(CC(=O)N3CCN(C)CC3)CC2)c1Br ZINC000892431771 663373550 /nfs/dbraw/zinc/37/35/50/663373550.db2.gz DJQBHRQKJWSQGX-UHFFFAOYSA-N 1 0 395.345 2.533 20 0 GFADRO COc1ccc(Br)cc1CNC(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2C ZINC000892505915 663376001 /nfs/dbraw/zinc/37/60/01/663376001.db2.gz NYCHNUUTNUGACY-LSDHHAIUSA-N 1 0 382.302 2.836 20 0 GFADRO [NH3+][C@H]1C[C@@H](CNC(=O)N2CCO[C@H](c3cc(F)c(Cl)cc3Cl)C2)C1 ZINC000892563089 663377527 /nfs/dbraw/zinc/37/75/27/663377527.db2.gz SENYXOHFAQJLSI-WMFXKJRFSA-N 1 0 376.259 2.953 20 0 GFADRO [NH3+]CCN(CCc1ccccc1)C(=O)NCc1ccc(Br)cn1 ZINC000892616941 663378713 /nfs/dbraw/zinc/37/87/13/663378713.db2.gz QKSUUFIOSIIATH-UHFFFAOYSA-N 1 0 377.286 2.557 20 0 GFADRO [NH3+]C[C@H]1c2ccccc2CCN1C(=O)NCc1ccc(Br)cn1 ZINC000892615259 663378770 /nfs/dbraw/zinc/37/87/70/663378770.db2.gz BULROMVNOYKAPT-INIZCTEOSA-N 1 0 375.270 2.612 20 0 GFADRO O=C(NCc1ccc(Br)cn1)N1CCCC[C@H]1[C@H]1CCC[NH2+]C1 ZINC000892615295 663378805 /nfs/dbraw/zinc/37/88/05/663378805.db2.gz BWQHLSDCOWHWCF-BBRMVZONSA-N 1 0 381.318 2.908 20 0 GFADRO O=C(NCc1ccc(Br)cn1)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000892615646 663378853 /nfs/dbraw/zinc/37/88/53/663378853.db2.gz FSUQRSPLXGXTIU-CQSZACIVSA-N 1 0 381.318 2.765 20 0 GFADRO COCCC[NH+]1CCC(NCc2ccc(Br)cc2NC(C)=O)CC1 ZINC000892801672 663385085 /nfs/dbraw/zinc/38/50/85/663385085.db2.gz PQNYQSSAAQEJNY-UHFFFAOYSA-N 1 0 398.345 2.998 20 0 GFADRO CCC1([NH3+])CCN(C(=O)NC[C@@H](CO)Cc2ccccc2Br)CC1 ZINC000892933279 663390313 /nfs/dbraw/zinc/39/03/13/663390313.db2.gz URFCKRVPLQUULA-AWEZNQCLSA-N 1 0 398.345 2.513 20 0 GFADRO CC(=O)Nc1cc(Br)ccc1C[NH2+][C@H]1CCO[C@]2(CCOC2)C1 ZINC000893285826 663405348 /nfs/dbraw/zinc/40/53/48/663405348.db2.gz PJQTWJLXITUJAE-DOTOQJQBSA-N 1 0 383.286 2.835 20 0 GFADRO Cc1cc(N2CCC[C@H]([NH2+]C3CCS(=O)CC3)C2=O)ccc1Br ZINC000893626834 663417813 /nfs/dbraw/zinc/41/78/13/663417813.db2.gz LDDGXNWDNQBNTB-HSJOPLCMSA-N 1 0 399.354 2.754 20 0 GFADRO CCn1c(C[NH2+]C2CCC(O)CC2)nc(Br)c1Br ZINC000893690070 663420412 /nfs/dbraw/zinc/42/04/12/663420412.db2.gz ODKAJYQSAHFRTJ-UHFFFAOYSA-N 1 0 381.112 2.821 20 0 GFADRO C[C@H]1CCN(Cc2nc(Br)nn2C)CC[N@@H+]1Cc1ccccc1 ZINC000894077188 663441183 /nfs/dbraw/zinc/44/11/83/663441183.db2.gz YYURXYZAGUDGQU-AWEZNQCLSA-N 1 0 378.318 2.674 20 0 GFADRO C[C@H](NC(=O)N[C@](C)(CO)c1cccc(Br)c1)C1=CC[N@H+](C)CC1 ZINC000894104853 663442798 /nfs/dbraw/zinc/44/27/98/663442798.db2.gz JZRFHMUVXJUCIQ-SCLBCKFNSA-N 1 0 396.329 2.606 20 0 GFADRO CC[NH+](CC)CCOc1ccc(CNCc2nc(Br)nn2C)cc1 ZINC000894187156 663447230 /nfs/dbraw/zinc/44/72/30/663447230.db2.gz ZQEYNFFUFWYYMC-UHFFFAOYSA-N 1 0 396.333 2.588 20 0 GFADRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1nc(Br)nn1C ZINC000894317117 663453987 /nfs/dbraw/zinc/45/39/87/663453987.db2.gz QKWGTOVXWMKHNG-ZFWWWQNUSA-N 1 0 378.318 2.578 20 0 GFADRO CC(C)[C@H]1OCCC[C@@H]1C[NH2+]Cc1cn(C)nc1I ZINC000894317835 663454436 /nfs/dbraw/zinc/45/44/36/663454436.db2.gz WFVBWDIJVBTLSI-DGCLKSJQSA-N 1 0 377.270 2.566 20 0 GFADRO CC(=O)Nc1cc(Br)ccc1CN1CCO[C@]2(CCCOC2)C1 ZINC000894389577 663459486 /nfs/dbraw/zinc/45/94/86/663459486.db2.gz SXQRKYYSWWTUHR-QGZVFWFLSA-N 1 0 383.286 2.789 20 0 GFADRO Cc1cnc([C@H](C)C[NH2+]Cc2cn(C)nc2I)s1 ZINC000894460159 663463004 /nfs/dbraw/zinc/46/30/04/663463004.db2.gz GMHMXMQCJLNCOK-MRVPVSSYSA-N 1 0 376.267 2.683 20 0 GFADRO CC(C)(C)OC(=O)N1CC(C[NH2+]Cc2ccc(S(C)(=O)=O)c(Cl)c2)C1 ZINC000894562256 663468675 /nfs/dbraw/zinc/46/86/75/663468675.db2.gz GGUXSNRDZKPHCA-UHFFFAOYSA-N 1 0 388.917 2.700 20 0 GFADRO COC(=O)c1cnc(C[NH2+]C[C@@H](CO)Cc2ccccc2Br)s1 ZINC000894562573 663469017 /nfs/dbraw/zinc/46/90/17/663469017.db2.gz RZNLGJHBHBOTOL-NSHDSACASA-N 1 0 399.310 2.633 20 0 GFADRO CC(C)[C@H]([NH2+]Cc1c(I)cnn1C)[C@H](O)c1ccccc1 ZINC000894597173 663470552 /nfs/dbraw/zinc/47/05/52/663470552.db2.gz GTVCXWXAOMNTNW-JKSUJKDBSA-N 1 0 399.276 2.873 20 0 GFADRO O=S(=O)(CC[NH2+]Cc1cc(Cl)cc(Br)c1)C1CCOCC1 ZINC000894726768 663477836 /nfs/dbraw/zinc/47/78/36/663477836.db2.gz VNKDIUAFQNYRDI-UHFFFAOYSA-N 1 0 396.734 2.786 20 0 GFADRO COc1ccc(C[NH2+]C[C@H](CO)Cc2ccc(F)c(Br)c2)nc1 ZINC000894769924 663480651 /nfs/dbraw/zinc/48/06/51/663480651.db2.gz YOLNEEAYCNGFID-CYBMUJFWSA-N 1 0 383.261 2.933 20 0 GFADRO CO[C@H](C[NH2+]Cc1sc(N2CCOCC2)nc1Cl)Cc1ccccc1 ZINC000894875059 663486107 /nfs/dbraw/zinc/48/61/07/663486107.db2.gz ZZZCNISMONIQGA-HNNXBMFYSA-N 1 0 381.929 2.980 20 0 GFADRO C[N@H+](CCCCNC(=O)N[C@@](C)(CO)c1cccc(Br)c1)C1CC1 ZINC000895283689 663506837 /nfs/dbraw/zinc/50/68/37/663506837.db2.gz ZZLCZEJBVBWWFM-SFHVURJKSA-N 1 0 398.345 2.830 20 0 GFADRO COc1cc(C[NH2+]C[C@H]2CC(C)=NO2)cc(I)c1OC ZINC000895311785 663507711 /nfs/dbraw/zinc/50/77/11/663507711.db2.gz RIVVBENNIBWONZ-LLVKDONJSA-N 1 0 390.221 2.563 20 0 GFADRO C[C@H](C[NH2+]Cc1sc(N2CCOCC2)nc1Cl)CC1(C)OCCO1 ZINC000895418758 663513304 /nfs/dbraw/zinc/51/33/04/663513304.db2.gz PNHQJANMWOGXRJ-LBPRGKRZSA-N 1 0 375.922 2.512 20 0 GFADRO COc1cc(C[N@@H+]2CC[C@@H](c3nccs3)C2)cc(Cl)c1OCC(N)=O ZINC000895583495 663519613 /nfs/dbraw/zinc/51/96/13/663519613.db2.gz LEARURCENAOFEM-GFCCVEGCSA-N 1 0 381.885 2.659 20 0 GFADRO C[C@@H]1OC[C@]2(CC[C@H](C[NH2+]Cc3cnn4cc(Br)cnc34)O2)[C@H]1C ZINC000895820349 663528575 /nfs/dbraw/zinc/52/85/75/663528575.db2.gz NTDGFPBCAWEQQE-ZILJWTLNSA-N 1 0 395.301 2.554 20 0 GFADRO Cn1ncc(I)c1C[NH2+]C[C@@]1(C)CCOC2(CCC2)C1 ZINC000895821392 663528935 /nfs/dbraw/zinc/52/89/35/663528935.db2.gz KGEKMMAOMQJBDB-AWEZNQCLSA-N 1 0 389.281 2.854 20 0 GFADRO CO[C@H]1CN(C(=O)N[C@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)CCO1 ZINC000896017341 663537724 /nfs/dbraw/zinc/53/77/24/663537724.db2.gz WWUBGMXRIQTOEW-HUUCEWRRSA-N 1 0 376.284 2.610 20 0 GFADRO O=C(NCC[NH+]1CCC(O)CC1)NCc1ccc(Cl)c(C(F)(F)F)c1 ZINC000896121412 663541577 /nfs/dbraw/zinc/54/15/77/663541577.db2.gz FYPJELYSYWPYBO-UHFFFAOYSA-N 1 0 379.810 2.615 20 0 GFADRO C[C@@H](CNC(=O)CCCc1ccc(Br)cc1)N1CC[NH+](C)CC1 ZINC000896426826 663556980 /nfs/dbraw/zinc/55/69/80/663556980.db2.gz HNWUTKQDIRAFER-HNNXBMFYSA-N 1 0 382.346 2.524 20 0 GFADRO Cc1cc(C)c(C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCN2C)c(C)c1Br ZINC000896529475 663561024 /nfs/dbraw/zinc/56/10/24/663561024.db2.gz ZYHVLNMNIXQCLR-HUUCEWRRSA-N 1 0 382.346 2.738 20 0 GFADRO C[C@H](NC(=O)c1cccc2c(Br)cccc12)[C@@H]1C[N@H+](C)CCN1C ZINC000896526422 663561078 /nfs/dbraw/zinc/56/10/78/663561078.db2.gz HWVFTXNJSGBRNI-UGSOOPFHSA-N 1 0 390.325 2.966 20 0 GFADRO CC[C@H](C(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCN1C)c1ccc(Br)cc1 ZINC000896529520 663561116 /nfs/dbraw/zinc/56/11/16/663561116.db2.gz BUOSMLIWMXUTHF-RRQGHBQHSA-N 1 0 382.346 2.693 20 0 GFADRO CSc1cc(Br)ccc1C(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCN1C ZINC000896532773 663561429 /nfs/dbraw/zinc/56/14/29/663561429.db2.gz MCRGEWJPSKYCQA-SMDDNHRTSA-N 1 0 386.359 2.535 20 0 GFADRO C[C@H](NC(=O)c1cccc2cccc(Br)c21)[C@H]1C[N@H+](C)CCN1C ZINC000896539693 663561967 /nfs/dbraw/zinc/56/19/67/663561967.db2.gz AGRGIYGTOXAKOV-SUMWQHHRSA-N 1 0 390.325 2.966 20 0 GFADRO C[C@@H](NC(=O)c1cc(Br)c2ccccc2c1)[C@H]1C[N@H+](C)CCN1C ZINC000896540968 663562411 /nfs/dbraw/zinc/56/24/11/663562411.db2.gz ZGJASIREGGNQET-FZKQIMNGSA-N 1 0 390.325 2.966 20 0 GFADRO Cc1cc(Br)c(C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCN2C)cc1Cl ZINC000896540605 663562537 /nfs/dbraw/zinc/56/25/37/663562537.db2.gz GBXGHFJNUUDSEJ-ABAIWWIYSA-N 1 0 388.737 2.775 20 0 GFADRO CC[C@H](Cc1ccccc1Br)C(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCN1C ZINC000896557121 663563918 /nfs/dbraw/zinc/56/39/18/663563918.db2.gz RYQKOHQVKWPICG-DAYGRLMNSA-N 1 0 396.373 2.768 20 0 GFADRO C[C@H](NC(=O)CSc1cc(Cl)ccc1Cl)[C@@H]1C[N@H+](C)CCN1C ZINC000896582166 663565931 /nfs/dbraw/zinc/56/59/31/663565931.db2.gz UXBWBESZTNJZBQ-FZMZJTMJSA-N 1 0 376.353 2.836 20 0 GFADRO O=S(=O)(C1CCN(c2cc[nH+]cc2C(F)(F)F)CC1)N1CCCCC1 ZINC000896590737 663566733 /nfs/dbraw/zinc/56/67/33/663566733.db2.gz DPBAXXWDVWLZLN-UHFFFAOYSA-N 1 0 377.432 2.885 20 0 GFADRO O=C(NCC1(c2ccccc2Br)CC1)C1C[NH+](C2CCOCC2)C1 ZINC000896602860 663567638 /nfs/dbraw/zinc/56/76/38/663567638.db2.gz OIKJNHNNCJRMLU-UHFFFAOYSA-N 1 0 393.325 2.708 20 0 GFADRO COc1cc(Br)cc(C[NH2+][C@@H]2CCC[C@@H](S(C)(=O)=O)C2)c1 ZINC000896807819 663577513 /nfs/dbraw/zinc/57/75/13/663577513.db2.gz NKRGJURVZSXLKE-UKRRQHHQSA-N 1 0 376.316 2.903 20 0 GFADRO CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CC(C)(C)CS(C)(=O)=O)C[C@@H]1C(F)(F)F ZINC000896868815 663580131 /nfs/dbraw/zinc/58/01/31/663580131.db2.gz OSDOVGMXAYLYRX-UPJWGTAASA-N 1 0 387.464 2.557 20 0 GFADRO CN(C)[C@H](CC[NH2+]Cc1sc(N2CCOCC2)nc1Cl)C(F)(F)F ZINC000896877937 663580477 /nfs/dbraw/zinc/58/04/77/663580477.db2.gz GCSAJJQUAGPNOR-LLVKDONJSA-N 1 0 386.871 2.605 20 0 GFADRO C[C@@H](C[NH+]1CCC2(CC1)C[C@@H](O)CNC2=O)c1cccc(Br)c1 ZINC000897044374 663587905 /nfs/dbraw/zinc/58/79/05/663587905.db2.gz YRBNJJBMWFVVFM-XJKSGUPXSA-N 1 0 381.314 2.516 20 0 GFADRO Brc1cnc2c(C[NH2+]CCc3cccc4c3OCCO4)cnn2c1 ZINC000897210945 663594649 /nfs/dbraw/zinc/59/46/49/663594649.db2.gz YCBYIFNRNWLENH-UHFFFAOYSA-N 1 0 389.253 2.595 20 0 GFADRO OCC[N@@H+]1CCC[C@@H]2[C@@H]1CCN2c1nc(-c2ccc(Br)cc2)no1 ZINC000897220002 663595089 /nfs/dbraw/zinc/59/50/89/663595089.db2.gz RDANYPFVNLMYCQ-LSDHHAIUSA-N 1 0 393.285 2.535 20 0 GFADRO Cc1ccc(CCC[N@@H+]2CCn3ncc(I)c3C2)cn1 ZINC000897289217 663598512 /nfs/dbraw/zinc/59/85/12/663598512.db2.gz LMTJVHVOLRNEBE-UHFFFAOYSA-N 1 0 382.249 2.640 20 0 GFADRO Cn1cc(Br)c(=O)c(NC(=O)[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)c1 ZINC000897378426 663603451 /nfs/dbraw/zinc/60/34/51/663603451.db2.gz ZRHRELRHQMHMDE-BBRMVZONSA-N 1 0 390.281 2.779 20 0 GFADRO O=C(NCc1cnc(-c2ccc(Cl)cc2)s1)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000897697957 663616414 /nfs/dbraw/zinc/61/64/14/663616414.db2.gz IHIGKHBEVIIQEA-OAHLLOKOSA-N 1 0 377.897 2.800 20 0 GFADRO CCOC(=O)C1([C@@H](C)[NH2+]Cc2cncc(Br)c2C)CCOCC1 ZINC000897740794 663617824 /nfs/dbraw/zinc/61/78/24/663617824.db2.gz HCTMUPHRYMDTFZ-CYBMUJFWSA-N 1 0 385.302 2.991 20 0 GFADRO COc1ccc([C@H]([NH2+]C(C)C)C(=O)NCCn2cc(Br)cn2)cc1 ZINC000897747625 663618269 /nfs/dbraw/zinc/61/82/69/663618269.db2.gz MAAICRLVISHFKV-INIZCTEOSA-N 1 0 395.301 2.510 20 0 GFADRO COc1c(Br)cc(C[NH2+][C@]2(C)CCNC2=O)cc1Br ZINC000897872606 663623161 /nfs/dbraw/zinc/62/31/61/663623161.db2.gz JBCGNKCINYHSSJ-CYBMUJFWSA-N 1 0 392.091 2.588 20 0 GFADRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)c3c[nH]nc3I)ccc21 ZINC000897909676 663625263 /nfs/dbraw/zinc/62/52/63/663625263.db2.gz QZTSFXHDFIOSOS-CYBMUJFWSA-N 1 0 396.232 2.816 20 0 GFADRO O=C1Nc2ncc(Br)cc2C[C@H]1[NH2+][C@@H]1CCOC2(CCCC2)C1 ZINC000897978532 663628739 /nfs/dbraw/zinc/62/87/39/663628739.db2.gz RBBSMJYWVSINTO-ZIAGYGMSSA-N 1 0 380.286 2.789 20 0 GFADRO O=c1cc(N2CC[C@H]([NH2+]Cc3cc(Cl)ccc3Br)C2)nc[nH]1 ZINC000898155515 663636408 /nfs/dbraw/zinc/63/64/08/663636408.db2.gz ORWIYAVLYWZTSY-LBPRGKRZSA-N 1 0 383.677 2.967 20 0 GFADRO COC(=O)c1cc(C[NH2+][C@](C)(CO)c2cccc(Br)c2)n(C)c1C ZINC000898168927 663636944 /nfs/dbraw/zinc/63/69/44/663636944.db2.gz ULFIYUJDXNUHRE-GOSISDBHSA-N 1 0 395.297 2.880 20 0 GFADRO CCOc1cc(C[NH2+]Cc2cnc3n2CCOC3)cc(Br)c1O ZINC000898267598 663641641 /nfs/dbraw/zinc/64/16/41/663641641.db2.gz MEGCAHVAFZFCOF-UHFFFAOYSA-N 1 0 382.258 2.570 20 0 GFADRO COCCc1ncc(C[NH2+]Cc2cccc(NS(=O)(=O)C3CC3)c2)s1 ZINC000898288946 663642208 /nfs/dbraw/zinc/64/22/08/663642208.db2.gz RXEGTGCMJMJWDN-UHFFFAOYSA-N 1 0 381.523 2.526 20 0 GFADRO O=S(=O)(Nc1cccc(C[NH2+][C@H]2CCO[C@@H](C(F)(F)F)C2)c1)C1CC1 ZINC000898290455 663642220 /nfs/dbraw/zinc/64/22/20/663642220.db2.gz RGSBEQVHHSVDMH-SWLSCSKDSA-N 1 0 378.416 2.790 20 0 GFADRO Cc1cn2c(C[NH2+][C@H]3CCN(c4cn[nH]c(=O)c4Cl)C3)c(C)nc2s1 ZINC000898363745 663644529 /nfs/dbraw/zinc/64/45/29/663644529.db2.gz XTDGGEMTTITABE-NSHDSACASA-N 1 0 378.889 2.530 20 0 GFADRO O=c1[nH]ncc(N2CC[C@@H]([NH2+]Cc3cnc([C@H]4CCCO4)s3)C2)c1Cl ZINC000898364070 663644626 /nfs/dbraw/zinc/64/46/26/663644626.db2.gz HLIKSFWLBQDJCL-ZWNOBZJWSA-N 1 0 381.889 2.512 20 0 GFADRO O=c1[nH]ncc(N2CC[C@@H]([NH2+]Cc3cc4cc(Cl)cnc4o3)C2)c1Cl ZINC000898369294 663645129 /nfs/dbraw/zinc/64/51/29/663645129.db2.gz UWDSEGGJBVDQKM-LLVKDONJSA-N 1 0 380.235 2.999 20 0 GFADRO CCOP(=O)(CCC[NH2+][C@@H]1CCN(c2cn[nH]c(=O)c2Cl)C1)OCC ZINC000898369620 663645148 /nfs/dbraw/zinc/64/51/48/663645148.db2.gz ZYVUJQZQLYHLRM-GFCCVEGCSA-N 1 0 392.824 2.660 20 0 GFADRO COC(=O)C1CC2(C1)C[C@@H]([NH2+][C@@H](C)c1ccc(Cl)cc1)CCS2(=O)=O ZINC000898487768 663652264 /nfs/dbraw/zinc/65/22/64/663652264.db2.gz GCGKCOCRHZEQCR-KKRIXCKUSA-N 1 0 385.913 2.890 20 0 GFADRO COc1ccc(Br)c(C(=O)NC2CC[NH+](C3CCOCC3)CC2)c1 ZINC000898621540 663658374 /nfs/dbraw/zinc/65/83/74/663658374.db2.gz BPBUTVVHZNAPFS-UHFFFAOYSA-N 1 0 397.313 2.831 20 0 GFADRO C[C@@H]([NH2+][C@H]1CCc2ncc(Br)n2C1)c1ccc(S(C)(=O)=O)cc1 ZINC000898720300 663660513 /nfs/dbraw/zinc/66/05/13/663660513.db2.gz LRUIEHKPHITCIQ-YPMHNXCESA-N 1 0 398.326 2.715 20 0 GFADRO COc1ccc(C[NH2+][C@H]2CCc3ncc(Br)n3C2)c(F)c1OC ZINC000898720644 663660540 /nfs/dbraw/zinc/66/05/40/663660540.db2.gz MWJNKHZQKGWMGW-NSHDSACASA-N 1 0 384.249 2.907 20 0 GFADRO CN1C(=O)CCc2cc(C[NH2+][C@@H]3CCc4ncc(Br)n4C3)ccc21 ZINC000898724203 663661406 /nfs/dbraw/zinc/66/14/06/663661406.db2.gz LRKQUVXNYMTQOC-CQSZACIVSA-N 1 0 389.297 2.659 20 0 GFADRO CC(C)(CNC(=O)CCCS(=O)(=O)c1ccc(Cl)cc1)n1ccnc1 ZINC000898908804 663669061 /nfs/dbraw/zinc/66/90/61/663669061.db2.gz AVSOPXMIAHKMKI-UHFFFAOYSA-N 1 0 383.901 2.642 20 0 GFADRO Brc1ccc(C2(c3nc(-c4cnccn4)no3)CC[NH2+]CC2)cc1 ZINC000900004044 663706341 /nfs/dbraw/zinc/70/63/41/663706341.db2.gz GZTCAKRZZHZRIN-UHFFFAOYSA-N 1 0 386.253 2.959 20 0 GFADRO CC(C)[NH+]1CCN(CCCC(=O)NCc2cccc(Br)c2)CC1 ZINC000900122263 663708625 /nfs/dbraw/zinc/70/86/25/663708625.db2.gz CDXKETUOKQKWDQ-UHFFFAOYSA-N 1 0 382.346 2.872 20 0 GFADRO CC(C)[NH+]1CCN(CCC(=O)N[C@H](C)Cc2ccc(Br)cc2)CC1 ZINC000900214891 663709958 /nfs/dbraw/zinc/70/99/58/663709958.db2.gz JKLJTAQBNJBWKB-MRXNPFEDSA-N 1 0 396.373 2.912 20 0 GFADRO C[N@@H+]1CCC[C@@](O)(CC(=O)N2CCC[C@H]2c2ccccc2Br)C1 ZINC000901006755 663728794 /nfs/dbraw/zinc/72/87/94/663728794.db2.gz BSMUGOONWDWYKH-FUHWJXTLSA-N 1 0 381.314 2.959 20 0 GFADRO CC1(C[NH2+][C@@H](C(N)=O)c2cccc(Br)c2)CCC2(CC1)OCCO2 ZINC000901656678 663740835 /nfs/dbraw/zinc/74/08/35/663740835.db2.gz MFROIWFQPYNVIR-OAHLLOKOSA-N 1 0 397.313 2.889 20 0 GFADRO CC(C)(C)CN1CCC[C@H]([NH2+][C@@H]2CCc3ncc(Br)n3C2)C1=O ZINC000901728922 663743801 /nfs/dbraw/zinc/74/38/01/663743801.db2.gz PKCVSWOGKGRSQR-OLZOCXBDSA-N 1 0 383.334 2.587 20 0 GFADRO CC[NH+]1CCC(NC(=O)COc2cnc3ccc(Br)cc3c2)CC1 ZINC000902340811 663760064 /nfs/dbraw/zinc/76/00/64/663760064.db2.gz PUTFCKBOZVTZFY-UHFFFAOYSA-N 1 0 392.297 2.977 20 0 GFADRO CC[NH+]1CCC(NC(=O)COc2ccc(C(C)=O)cc2Br)CC1 ZINC000902465776 663761650 /nfs/dbraw/zinc/76/16/50/663761650.db2.gz HYAKMRNBEODXNG-UHFFFAOYSA-N 1 0 383.286 2.631 20 0 GFADRO O=C1Nc2ncc(Br)cc2C[C@@H]1[NH2+][C@@H]1CCc2cccnc2CC1 ZINC000902694000 663766250 /nfs/dbraw/zinc/76/62/50/663766250.db2.gz WAPDVXPFFXNYKQ-ZBFHGGJFSA-N 1 0 387.281 2.640 20 0 GFADRO C[C@@H]([NH2+]C1CCN(CCS(C)(=O)=O)CC1)c1ccc(C(F)(F)F)s1 ZINC000902797459 663767650 /nfs/dbraw/zinc/76/76/50/663767650.db2.gz WGZOYNIQCJTEAY-LLVKDONJSA-N 1 0 384.489 2.927 20 0 GFADRO CCCn1cc([C@H](C)[NH2+]C[C@H](CO)Cc2cccc(Br)c2)nn1 ZINC000902972803 663770186 /nfs/dbraw/zinc/77/01/86/663770186.db2.gz IOAFAUZKETUPEX-DZGCQCFKSA-N 1 0 381.318 2.952 20 0 GFADRO CCCn1cc([C@H](C)[NH2+]C[C@H](CO)Cc2ccc(Br)cc2)nn1 ZINC000902973889 663770189 /nfs/dbraw/zinc/77/01/89/663770189.db2.gz XWNNLCZUQPNNRR-DZGCQCFKSA-N 1 0 381.318 2.952 20 0 GFADRO CC(C)C[C@@H]([NH2+]Cc1c(I)cnn1C)C1CCOCC1 ZINC000903079407 663772673 /nfs/dbraw/zinc/77/26/73/663772673.db2.gz IERYEZDNRZSMKY-CQSZACIVSA-N 1 0 391.297 2.956 20 0 GFADRO C[C@H](CO[C@H]1CCOC1)[NH2+][C@@H](C)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000903110320 663773911 /nfs/dbraw/zinc/77/39/11/663773911.db2.gz NIEQUJVPPVGODY-DYEKYZERSA-N 1 0 381.416 2.825 20 0 GFADRO C[C@H](CCS(C)(=O)=O)[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)CC(C)(C)C1 ZINC000903114238 663774374 /nfs/dbraw/zinc/77/43/74/663774374.db2.gz XCVXDLQPVJAZHF-HUUCEWRRSA-N 1 0 376.563 2.825 20 0 GFADRO CN(C)S(=O)(=O)Cc1ccc(C[NH2+][C@@H]2CC[C@H]3SCCS[C@@H]23)cc1 ZINC000903172953 663777001 /nfs/dbraw/zinc/77/70/01/663777001.db2.gz HBVGFVZEFWJCDC-ZACQAIPSSA-N 1 0 386.608 2.547 20 0 GFADRO Clc1cc(I)cc(C[NH2+][C@H]2CCO[C@@]23CCOC3)c1 ZINC000903192902 663777758 /nfs/dbraw/zinc/77/77/58/663777758.db2.gz RIEOUPBFVRVMKR-UONOGXRCSA-N 1 0 393.652 2.982 20 0 GFADRO O=C(NCC[NH2+][C@H](c1ccccn1)C1CC1)c1ccc(Br)cn1 ZINC000903200488 663778270 /nfs/dbraw/zinc/77/82/70/663778270.db2.gz SIRLKHSQBFHAMJ-INIZCTEOSA-N 1 0 375.270 2.710 20 0 GFADRO CCS(=O)(=O)C1(C[NH2+][C@@H](C)c2cccc(S(=O)(=O)C(F)(F)F)c2)CC1 ZINC000903202927 663778463 /nfs/dbraw/zinc/77/84/63/663778463.db2.gz GJWVGKHCWOWVJO-NSHDSACASA-N 1 0 399.456 2.598 20 0 GFADRO Brc1ccc(-n2ccc(C[NH2+][C@H]3CCO[C@]34CCOC4)n2)cc1 ZINC000903220127 663778855 /nfs/dbraw/zinc/77/88/55/663778855.db2.gz KVRXKHKJBLBIMM-IRXDYDNUSA-N 1 0 378.270 2.672 20 0 GFADRO CC[C@H]([NH2+]Cc1cnn(CCF)c1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000903274693 663780881 /nfs/dbraw/zinc/78/08/81/663780881.db2.gz QQDACXBULXVFDT-HNNXBMFYSA-N 1 0 388.896 2.655 20 0 GFADRO CO[C@@]1(C[NH2+][C@@H](C)CCc2ccc(C(F)(F)F)cc2)CCS(=O)(=O)C1 ZINC000903361754 663782527 /nfs/dbraw/zinc/78/25/27/663782527.db2.gz ASQXRDAKCXTFTL-XJKSGUPXSA-N 1 0 379.444 2.820 20 0 GFADRO CC[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C[C@@]1(OC)CCS(=O)(=O)C1 ZINC000903363865 663782736 /nfs/dbraw/zinc/78/27/36/663782736.db2.gz RTVFPSWLRKMSEL-HOTGVXAUSA-N 1 0 379.444 2.820 20 0 GFADRO O=c1ccn(CCC[NH2+][C@H]2CCCc3cc(Br)ccc32)c(=O)[nH]1 ZINC000903428095 663784387 /nfs/dbraw/zinc/78/43/87/663784387.db2.gz CYQBMMPROSABQW-HNNXBMFYSA-N 1 0 378.270 2.769 20 0 GFADRO C[C@@H](N[C@@H]1CC[NH2+]C12CCC2)C(=O)N(C)Cc1ccc(Br)cc1 ZINC000903468838 663785199 /nfs/dbraw/zinc/78/51/99/663785199.db2.gz OPJJAVYAVBNATI-CZUORRHYSA-N 1 0 380.330 2.670 20 0 GFADRO C[C@H]([NH2+][C@H]1CCc2ncc(Br)n2C1)c1ccccc1-n1ccnn1 ZINC000903477803 663785304 /nfs/dbraw/zinc/78/53/04/663785304.db2.gz COBZIXDGNXHAFT-STQMWFEESA-N 1 0 387.285 2.892 20 0 GFADRO C[C@@H]([NH2+][C@H]1CCc2ncc(Br)n2C1)c1cccc(-n2cnnc2)c1 ZINC000903480000 663785382 /nfs/dbraw/zinc/78/53/82/663785382.db2.gz NEJCKQWGSDEUFJ-OCCSQVGLSA-N 1 0 387.285 2.892 20 0 GFADRO CC(C)(C[NH3+])C1CCN(S(=O)(=O)c2ccccc2Br)CC1 ZINC000903520695 663786957 /nfs/dbraw/zinc/78/69/57/663786957.db2.gz UAQZPTQTIVLJQO-UHFFFAOYSA-N 1 0 375.332 2.835 20 0 GFADRO CN(Cc1c(F)cccc1Cl)C(=O)CN1CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000903533477 663787489 /nfs/dbraw/zinc/78/74/89/663787489.db2.gz CYOPCSDSPILKDC-RISCZKNCSA-N 1 0 381.801 2.649 20 0 GFADRO [NH3+][C@@H]1CN(CC(=O)Nc2ccc(Br)cc2F)CC[C@@H]1C(F)(F)F ZINC000903535470 663787786 /nfs/dbraw/zinc/78/77/86/663787786.db2.gz ZNGYAVPPRGQHEJ-GXSJLCMTSA-N 1 0 398.198 2.738 20 0 GFADRO CCCc1ccc(Cl)c(S(=O)(=O)N2CC[NH2+]CCC23CCOCC3)c1 ZINC000903549470 663788392 /nfs/dbraw/zinc/78/83/92/663788392.db2.gz LDZBJSQZXBPUGI-UHFFFAOYSA-N 1 0 386.945 2.826 20 0 GFADRO NC(=O)[C@H](c1ccc(Br)cc1)N1C[C@@H](C[NH3+])Cc2cc(F)ccc21 ZINC000903567912 663788912 /nfs/dbraw/zinc/78/89/12/663788912.db2.gz GAFOULYWQGERMM-DIFFPNOSSA-N 1 0 392.272 2.752 20 0 GFADRO O=S(=O)(N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc(Cl)cc1 ZINC000903573140 663789497 /nfs/dbraw/zinc/78/94/97/663789497.db2.gz GEERZEWZVSKQME-AEFFLSMTSA-N 1 0 378.881 2.874 20 0 GFADRO O=S(=O)(N[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc(Cl)s1 ZINC000903574287 663789596 /nfs/dbraw/zinc/78/95/96/663789596.db2.gz PGYCXYHNLVBLFH-BLLLJJGKSA-N 1 0 384.910 2.936 20 0 GFADRO [NH3+]C[C@]12CC[C@@H]1CCN2S(=O)(=O)c1c(Cl)cccc1Br ZINC000903587716 663790699 /nfs/dbraw/zinc/79/06/99/663790699.db2.gz AMGAYFQPEMIPMD-NOZJJQNGSA-N 1 0 379.707 2.604 20 0 GFADRO O=S(=O)(CCN1CCC([NH2+]CC2CC2)CC1)c1nc2ccccc2s1 ZINC000903717225 663804789 /nfs/dbraw/zinc/80/47/89/663804789.db2.gz KYFOQEQKONGZSJ-UHFFFAOYSA-N 1 0 379.551 2.534 20 0 GFADRO Brc1cccc([C@@H]2COCCN2C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)c1 ZINC000903767606 663806351 /nfs/dbraw/zinc/80/63/51/663806351.db2.gz XLCZHGJFFRPDIR-OKZBNKHCSA-N 1 0 381.314 2.591 20 0 GFADRO Cc1cc(Br)c2c(c1)CN(Cc1cnnn1[C@H]1CCC[NH2+]C1)CC2 ZINC000903914611 663811133 /nfs/dbraw/zinc/81/11/33/663811133.db2.gz JSDBTCRAKXIVQQ-HNNXBMFYSA-N 1 0 390.329 2.832 20 0 GFADRO Fc1cc(Br)c2c(c1)CCN(Cc1cnnn1[C@H]1CCC[NH2+]C1)C2 ZINC000903935650 663812782 /nfs/dbraw/zinc/81/27/82/663812782.db2.gz RQCOYKNKOBCKEB-AWEZNQCLSA-N 1 0 394.292 2.663 20 0 GFADRO COc1ccc(CN2CC[C@@H](C(F)(F)F)[C@H]([NH3+])C2)c(Br)c1O ZINC000903983612 663815267 /nfs/dbraw/zinc/81/52/67/663815267.db2.gz KLQVAYJUCPEXDP-NXEZZACHSA-N 1 0 383.208 2.875 20 0 GFADRO CC(=O)NCCN(Cc1ccc(Br)s1)C[C@]1(C)CCC[NH2+]C1 ZINC000904350783 663831258 /nfs/dbraw/zinc/83/12/58/663831258.db2.gz PSYDJPNYAXQGHZ-MRXNPFEDSA-N 1 0 388.375 2.838 20 0 GFADRO CCCOc1c(Br)cc(CN2CCC[C@]([NH3+])(CO)C2)cc1OC ZINC000904400220 663832834 /nfs/dbraw/zinc/83/28/34/663832834.db2.gz GTFHMDJHMWRJPN-QGZVFWFLSA-N 1 0 387.318 2.532 20 0 GFADRO Cc1nc2cc(Br)cc(NC(=O)N(C)C3(C[NH3+])CCOCC3)c2o1 ZINC000904421579 663833428 /nfs/dbraw/zinc/83/34/28/663833428.db2.gz KBLHTQATNARWIW-UHFFFAOYSA-N 1 0 397.273 2.870 20 0 GFADRO CCOc1ccc(NC(=O)N2CC[NH2+]C[C@@H]2CCOC)cc1Br ZINC000904429107 663833954 /nfs/dbraw/zinc/83/39/54/663833954.db2.gz WTSGSVLAGIVIHU-ZDUSSCGKSA-N 1 0 386.290 2.690 20 0 GFADRO COCCOc1ccc(NC(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)cc1Br ZINC000904548108 663837302 /nfs/dbraw/zinc/83/73/02/663837302.db2.gz IRZVCIWFDPNIOH-DGCLKSJQSA-N 1 0 386.290 2.736 20 0 GFADRO COCCOc1ccc(NC(=O)N[C@@H]2C[NH2+]CC2(C)C)cc1Br ZINC000904549851 663837486 /nfs/dbraw/zinc/83/74/86/663837486.db2.gz XNYLPUNXUPIKRX-CQSZACIVSA-N 1 0 386.290 2.594 20 0 GFADRO COCCOc1ccc(NC(=O)NCCC[NH2+]C2CC2)cc1Br ZINC000904552306 663838215 /nfs/dbraw/zinc/83/82/15/663838215.db2.gz TUFPDUSJZDOIRW-UHFFFAOYSA-N 1 0 386.290 2.738 20 0 GFADRO [NH3+]CCCc1ccc(OCc2nc(Cn3cc(Br)cn3)no2)cc1 ZINC000904619323 663838961 /nfs/dbraw/zinc/83/89/61/663838961.db2.gz YSJPXNAFUAODDG-UHFFFAOYSA-N 1 0 392.257 2.547 20 0 GFADRO C[C@]1(c2nc(COc3ccc(I)cc3)no2)CCC[NH2+]1 ZINC000904707646 663841600 /nfs/dbraw/zinc/84/16/00/663841600.db2.gz JPDNRVUINBGRPD-CQSZACIVSA-N 1 0 385.205 2.852 20 0 GFADRO Cc1cc(Br)cn2cc(C[NH2+]C[C@H](O)CC3(CO)CCCC3)nc12 ZINC000905215192 663859442 /nfs/dbraw/zinc/85/94/42/663859442.db2.gz ZKVAOWLSSNZALH-MRXNPFEDSA-N 1 0 396.329 2.799 20 0 GFADRO CC(C)N(Cc1ccc(Br)cc1)S(=O)(=O)CC1CC[NH2+]CC1 ZINC000905333438 663866206 /nfs/dbraw/zinc/86/62/06/663866206.db2.gz DRMMRXXNLPLFFU-UHFFFAOYSA-N 1 0 389.359 2.989 20 0 GFADRO [NH3+]CC[C@H]1CN(S(=O)(=O)c2cc3nc(Cl)ncc3s2)c2ccccc21 ZINC000905341647 663866334 /nfs/dbraw/zinc/86/63/34/663866334.db2.gz CHPHFWYZHVXFGT-JTQLQIEISA-N 1 0 394.909 2.986 20 0 GFADRO Cn1cc(C[NH2+]C[C@@H](O)c2ccc(Br)cc2)c(Br)n1 ZINC000905518503 663875702 /nfs/dbraw/zinc/87/57/02/663875702.db2.gz YIAXYTKIFBNRAB-GFCCVEGCSA-N 1 0 389.091 2.768 20 0 GFADRO Cn1nc(C2CC2)cc1C[NH2+]C[C@H](O)COc1cccc(Br)c1 ZINC000905620240 663881909 /nfs/dbraw/zinc/88/19/09/663881909.db2.gz QZOARXMYGCXHGT-HNNXBMFYSA-N 1 0 380.286 2.590 20 0 GFADRO O[C@H](C[NH2+]Cc1nc2c(s1)COCC2)c1ccc(F)c(Br)c1 ZINC000905621523 663881988 /nfs/dbraw/zinc/88/19/88/663881988.db2.gz SRFHBMPHBLUGDN-CYBMUJFWSA-N 1 0 387.274 2.941 20 0 GFADRO O=C(NC1CC[NH+](C2CC2)CC1)c1cnnn1-c1cc(Cl)ccc1Cl ZINC000905633602 663882989 /nfs/dbraw/zinc/88/29/89/663882989.db2.gz MMLMADYAKFRSEB-UHFFFAOYSA-N 1 0 380.279 2.931 20 0 GFADRO COC(=O)C1CC2(C1)C[C@H]([NH2+]C[C@](C)(O)C(F)(F)C(F)(F)F)CCS2 ZINC000905698275 663887144 /nfs/dbraw/zinc/88/71/44/663887144.db2.gz ZGHFBXWZOPHPFH-FYLGKEKYSA-N 1 0 391.402 2.742 20 0 GFADRO CC[C@@](O)(Cn1cc([C@H]([NH3+])c2ccc(Br)cc2)nn1)C(F)(F)F ZINC000905827776 663894015 /nfs/dbraw/zinc/89/40/15/663894015.db2.gz KKWNRPMKDIXFOH-CHWSQXEVSA-N 1 0 393.207 2.792 20 0 GFADRO C[C@@H](C[NH+]1CCCCC1)NC(=O)c1cc(Br)cn(C2CC2)c1=O ZINC000906103408 663925321 /nfs/dbraw/zinc/92/53/21/663925321.db2.gz GPBIDKLVCSLCHU-LBPRGKRZSA-N 1 0 382.302 2.550 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1cnnn1-c1cc(Cl)ccc1Cl ZINC000906239025 663933563 /nfs/dbraw/zinc/93/35/63/663933563.db2.gz IEZKURADAHJPDB-OLZOCXBDSA-N 1 0 380.279 2.931 20 0 GFADRO C[NH+](C)[C@H]1CCCN(C(=O)c2ccc(Cn3cc(Br)cn3)s2)C1 ZINC000906528930 663956292 /nfs/dbraw/zinc/95/62/92/663956292.db2.gz IMCYWCXTPDRVLK-ZDUSSCGKSA-N 1 0 397.342 2.922 20 0 GFADRO Cc1cc(C(=O)NC[C@@H]2CCC[NH2+]C2)nn1-c1ccccc1Br ZINC000906635022 663962041 /nfs/dbraw/zinc/96/20/41/663962041.db2.gz UMSNWUFVFGTSMH-CYBMUJFWSA-N 1 0 377.286 2.673 20 0 GFADRO CC1(C)C[NH2+]C[C@H]1NC(=O)C(=O)Nc1cccc(Cl)c1SCC(F)F ZINC000906709167 663966228 /nfs/dbraw/zinc/96/62/28/663966228.db2.gz UYXOXBDPUHABEW-LLVKDONJSA-N 1 0 391.871 2.750 20 0 GFADRO CC[C@H](C[NH+]1CCCC1)NC(=O)c1cc(Br)cn(C2CC2)c1=O ZINC000906715569 663966824 /nfs/dbraw/zinc/96/68/24/663966824.db2.gz SEQMDSATOQBCKZ-CYBMUJFWSA-N 1 0 382.302 2.550 20 0 GFADRO C[C@H]1C[C@@H](NC(=O)c2ccc(Cn3cc(Br)cn3)s2)CC[N@@H+]1C ZINC000906796541 663971828 /nfs/dbraw/zinc/97/18/28/663971828.db2.gz AAEXNJOSPIXXFJ-AAEUAGOBSA-N 1 0 397.342 2.968 20 0 GFADRO C[NH+](C)C[C@H]1CCN(S(=O)(=O)c2c[nH]c3c2cccc3Br)C1 ZINC000906951101 663985650 /nfs/dbraw/zinc/98/56/50/663985650.db2.gz QLUBALNQUWXFDV-LLVKDONJSA-N 1 0 386.315 2.503 20 0 GFADRO C[C@@H]1C[C@@H](NS(=O)(=O)c2c[nH]c3c2cccc3Br)CC[N@@H+]1C ZINC000906988586 663989268 /nfs/dbraw/zinc/98/92/68/663989268.db2.gz QQGMNYBSKRSKFX-MNOVXSKESA-N 1 0 386.315 2.691 20 0 GFADRO C[NH+]1CCC([C@H]2CCN(S(=O)(=O)c3c[nH]c4ncc(Cl)cc34)C2)CC1 ZINC000907074191 663999850 /nfs/dbraw/zinc/99/98/50/663999850.db2.gz PLFYVEWCFJCKLU-ZDUSSCGKSA-N 1 0 382.917 2.569 20 0 GFADRO CC(C)n1cc(Br)c(C(=O)N2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)n1 ZINC000907091308 664001167 /nfs/dbraw/zinc/00/11/67/664001167.db2.gz QUCSYFNZVXCAKQ-NWANDNLSSA-N 1 0 399.333 2.550 20 0 GFADRO C[NH+](C)CC1CCC(NC(=O)c2nscc2I)CC1 ZINC000907101477 664002038 /nfs/dbraw/zinc/00/20/38/664002038.db2.gz RBTQXMSTXMGTRR-UHFFFAOYSA-N 1 0 393.294 2.598 20 0 GFADRO COC1(CS(=O)(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccc(C)s3)C2)CCC1 ZINC000907348164 664027135 /nfs/dbraw/zinc/02/71/35/664027135.db2.gz ZAEFKXVZYPYTEP-INIZCTEOSA-N 1 0 386.583 2.709 20 0 GFADRO C[N@@H+]1C[C@@H](O)C[C@]1(C)C(=O)N1CC=C(c2cccc(Br)c2)CC1 ZINC000907385942 664030494 /nfs/dbraw/zinc/03/04/94/664030494.db2.gz OYXRZIASYUIOKT-FUHWJXTLSA-N 1 0 379.298 2.520 20 0 GFADRO O=C(C1CCC([NH+]2CCOCC2)CC1)N1CCSC[C@@H]1c1nccs1 ZINC000907454249 664036038 /nfs/dbraw/zinc/03/60/38/664036038.db2.gz AMDYMKQHVCNNMA-UYSNPLJNSA-N 1 0 381.567 2.651 20 0 GFADRO C[NH+](C)[C@H]1CCCN(C(=O)c2cc(Br)cn(C3CC3)c2=O)CC1 ZINC000907744900 664058024 /nfs/dbraw/zinc/05/80/24/664058024.db2.gz VJMBTKYSTPFHFJ-ZDUSSCGKSA-N 1 0 382.302 2.502 20 0 GFADRO Cc1cc(Br)sc1S(=O)(=O)N1CCC12CC[NH+](C)CC2 ZINC000907857466 664066382 /nfs/dbraw/zinc/06/63/82/664066382.db2.gz MMNDVEFRAPMDCU-UHFFFAOYSA-N 1 0 379.345 2.678 20 0 GFADRO CC[C@@H]1C[N@H+](C)CCCN1C(=O)c1cc(Br)cn(C2CC2)c1=O ZINC000907927743 664072007 /nfs/dbraw/zinc/07/20/07/664072007.db2.gz YDZRCYJXQMEIAH-CYBMUJFWSA-N 1 0 382.302 2.502 20 0 GFADRO COC(=O)c1nc(C(=O)NC[C@@H](C[NH+](C)C)c2ccc(Cl)cc2)cs1 ZINC000908156704 664088399 /nfs/dbraw/zinc/08/83/99/664088399.db2.gz PJVUZNKFRJQJDB-LBPRGKRZSA-N 1 0 381.885 2.658 20 0 GFADRO C[C@@H]1[C@H](NC(=O)c2cn(C)nc2Br)CC[N@@H+]1Cc1ccccc1 ZINC000908231729 664093583 /nfs/dbraw/zinc/09/35/83/664093583.db2.gz ZGXJOEPUUNFIMJ-IUODEOHRSA-N 1 0 377.286 2.575 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3cnnn3-c3cc(Cl)ccc3Cl)C[C@@H]2C1 ZINC000908292005 664097369 /nfs/dbraw/zinc/09/73/69/664097369.db2.gz JBZVJNLMRMRNKU-NEPJUHHUSA-N 1 0 380.279 2.598 20 0 GFADRO C[C@H](NC(=O)C(=O)NC[C@@H]1CC[C@H]([NH3+])C1)c1cc(F)c(Cl)cc1Cl ZINC000910964289 664232021 /nfs/dbraw/zinc/23/20/21/664232021.db2.gz YJNFXSDTXIHYSH-AEJSXWLSSA-N 1 0 376.259 2.553 20 0 GFADRO CC(C)(CNC(=O)C(=O)NC[C@@H]1CC[C@H]([NH3+])C1)c1ccc(Cl)c(Cl)c1 ZINC000911155319 664236785 /nfs/dbraw/zinc/23/67/85/664236785.db2.gz IERWSMHKYHXHHW-YPMHNXCESA-N 1 0 386.323 2.631 20 0 GFADRO C[NH2+]C[C@H]1CCCN(C(=O)c2ccc(Cn3cc(Br)cn3)s2)C1 ZINC000911632665 664251012 /nfs/dbraw/zinc/25/10/12/664251012.db2.gz BARKTQPOAMXHGF-GFCCVEGCSA-N 1 0 397.342 2.827 20 0 GFADRO Cc1noc(C)c1CN(C)C(=O)C[C@@H]([NH3+])Cc1ccc(Br)cc1 ZINC000911643201 664251592 /nfs/dbraw/zinc/25/15/92/664251592.db2.gz PSIQJQBDKPBPEW-HNNXBMFYSA-N 1 0 380.286 2.972 20 0 GFADRO COc1ccccc1[C@@H]([NH3+])CNC(=O)c1nc(C2CC2)ncc1Br ZINC000911664712 664251768 /nfs/dbraw/zinc/25/17/68/664251768.db2.gz MCRAIZSVPXQBIB-ZDUSSCGKSA-N 1 0 391.269 2.555 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C[C@H]1c2cc(Br)ccc2NC1=O ZINC000911682714 664252789 /nfs/dbraw/zinc/25/27/89/664252789.db2.gz CJSKTQQYRFZEHL-XEGUGMAKSA-N 1 0 380.286 2.603 20 0 GFADRO COc1ccc(Br)cc1-c1ncc(C(=O)N[C@H]2CC[NH2+]C2)s1 ZINC000911697811 664253355 /nfs/dbraw/zinc/25/33/55/664253355.db2.gz DUTSKVFRDHWCTF-JTQLQIEISA-N 1 0 382.283 2.673 20 0 GFADRO C[C@@H](NC(=O)c1ccc(Cn2cc(Br)cn2)s1)[C@H]1CCC[NH2+]C1 ZINC000911719726 664254008 /nfs/dbraw/zinc/25/40/08/664254008.db2.gz OPWWXYNVWIRRFG-NEPJUHHUSA-N 1 0 397.342 2.873 20 0 GFADRO CC(C)[NH2+]CCCNC(=O)c1cnn(Cc2ccccc2)c1Br ZINC000911762445 664255788 /nfs/dbraw/zinc/25/57/88/664255788.db2.gz NZWYUHZWGIYEFT-UHFFFAOYSA-N 1 0 379.302 2.812 20 0 GFADRO CC(C)C[C@H](C[NH3+])NC(=O)c1cnn(Cc2ccccc2)c1Br ZINC000911818852 664257163 /nfs/dbraw/zinc/25/71/63/664257163.db2.gz MLFFDPXOPBSYEL-CQSZACIVSA-N 1 0 379.302 2.797 20 0 GFADRO CC(C)C[C@@H](C[NH3+])NC(=O)c1cnn(Cc2ccccc2)c1Br ZINC000911818851 664257199 /nfs/dbraw/zinc/25/71/99/664257199.db2.gz MLFFDPXOPBSYEL-AWEZNQCLSA-N 1 0 379.302 2.797 20 0 GFADRO C[NH+]1CCC(N(CCO)C(=O)CCOc2cccc(Cl)c2Cl)CC1 ZINC000911935872 664262409 /nfs/dbraw/zinc/26/24/09/664262409.db2.gz ZINCNBKCQFCQNV-UHFFFAOYSA-N 1 0 375.296 2.677 20 0 GFADRO C[NH+](C)C1CCN(CCNc2ccc(-c3nnc(Br)o3)cc2)CC1 ZINC000911968254 664264151 /nfs/dbraw/zinc/26/41/51/664264151.db2.gz UDQJKVQYTCEZDV-UHFFFAOYSA-N 1 0 394.317 2.937 20 0 GFADRO O=C(NCCc1ccc(Br)cc1)[C@@H]1CC[NH2+][C@@H]([C@@H]2CCCO2)C1 ZINC000912285268 664279835 /nfs/dbraw/zinc/27/98/35/664279835.db2.gz PLRCSZKKAYZICG-OIISXLGYSA-N 1 0 381.314 2.655 20 0 GFADRO OCC[N@@H+]1CCC[C@H]2[C@@H]1CCN2c1ccc(-c2nnc(Br)o2)cc1 ZINC000912352292 664283092 /nfs/dbraw/zinc/28/30/92/664283092.db2.gz YEDOKMJXZAVDHN-GJZGRUSLSA-N 1 0 393.285 2.535 20 0 GFADRO C[C@]1(NC(=O)C[C@H]2Sc3ccc(Cl)cc3NC2=O)C[NH+]2CCC1CC2 ZINC000912379793 664284166 /nfs/dbraw/zinc/28/41/66/664284166.db2.gz PJFDRAOGJUMZGZ-QAPCUYQASA-N 1 0 379.913 2.743 20 0 GFADRO [NH3+]CCN1CCC[C@H](C(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)C1=O ZINC000912394371 664284603 /nfs/dbraw/zinc/28/46/03/664284603.db2.gz NNWRPORIQFIWMV-BBRMVZONSA-N 1 0 384.307 2.854 20 0 GFADRO CCN(C[C@H]1CCOC1)C(=O)C1(c2ccc(Br)cc2)CC[NH2+]CC1 ZINC000912472870 664289613 /nfs/dbraw/zinc/28/96/13/664289613.db2.gz INACVEBRTINIBT-OAHLLOKOSA-N 1 0 395.341 2.955 20 0 GFADRO CCN(C(=O)c1cc(Br)cn(CC[NH3+])c1=O)c1cccc(Cl)c1 ZINC000912494975 664290525 /nfs/dbraw/zinc/29/05/25/664290525.db2.gz HRHGWARXLCRVAQ-UHFFFAOYSA-N 1 0 398.688 2.890 20 0 GFADRO O=C([C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000912920572 664310207 /nfs/dbraw/zinc/31/02/07/664310207.db2.gz YZNSVICGSMVTJA-KGLIPLIRSA-N 1 0 382.291 2.653 20 0 GFADRO COc1nsc(CNC(=O)[C@H](C)[NH+]2[C@H](C)CC[C@H]2C)c1Br ZINC000912946994 664313440 /nfs/dbraw/zinc/31/34/40/664313440.db2.gz VUFAQOQLVDYVGH-BBBLOLIVSA-N 1 0 376.320 2.792 20 0 GFADRO C[NH+]1C[C@]2(C)CN(C(=O)c3ccc(C(F)(F)Br)nc3)C[C@@]2(C)C1 ZINC000913274553 664330754 /nfs/dbraw/zinc/33/07/54/664330754.db2.gz NZUOEVCQBAZRPY-HUUCEWRRSA-N 1 0 388.256 2.940 20 0 GFADRO COc1cc(Br)c(C(=O)N2C[C@]3(C)C[N@H+](C)C[C@]3(C)C2)cc1OC ZINC000913276837 664330952 /nfs/dbraw/zinc/33/09/52/664330952.db2.gz MZIDRXPKVMNRLD-HDICACEKSA-N 1 0 397.313 2.880 20 0 GFADRO C[NH+]1C[C@@]2(C)CN(C(=O)c3cnc4ncc(Br)cc4c3)C[C@]2(C)C1 ZINC000913281933 664331295 /nfs/dbraw/zinc/33/12/95/664331295.db2.gz VCBWNFPDZBSEBM-ROUUACIJSA-N 1 0 389.297 2.806 20 0 GFADRO C[N@@H+]1C[C@@]2(C)CN(C(=O)c3cn(C(C)(C)C)nc3Br)C[C@@]2(C)C1 ZINC000913282083 664331390 /nfs/dbraw/zinc/33/13/90/664331390.db2.gz XPCOMFQEEDCWFL-CALCHBBNSA-N 1 0 383.334 2.814 20 0 GFADRO C[NH+](C)C1(C)CCN(C(=O)c2cnc3ccc(Br)cc3c2O)CC1 ZINC000913396610 664334943 /nfs/dbraw/zinc/33/49/43/664334943.db2.gz CWJNBTCLRIEUJB-UHFFFAOYSA-N 1 0 392.297 2.847 20 0 GFADRO Cc1c(C(=O)NC23CC[NH+](CC2)C3)cnn1-c1ccc(Br)cc1 ZINC000913627189 664346930 /nfs/dbraw/zinc/34/69/30/664346930.db2.gz YPVOGPAWRLJFDI-UHFFFAOYSA-N 1 0 375.270 2.521 20 0 GFADRO C[NH+](C)CC1(O)CCN(C(=O)c2cc3c(cncc3Br)s2)CC1 ZINC000913677460 664348839 /nfs/dbraw/zinc/34/88/39/664348839.db2.gz QKVPZQRKFWKXFO-UHFFFAOYSA-N 1 0 398.326 2.588 20 0 GFADRO C[NH+](C)CC1(O)CCN(C(=O)C(C)(C)Oc2ccc(Br)cc2)CC1 ZINC000913675592 664349010 /nfs/dbraw/zinc/34/90/10/664349010.db2.gz ABONOQDWJTYFNJ-UHFFFAOYSA-N 1 0 399.329 2.522 20 0 GFADRO C[NH+](C)CC1(O)CCN(C(=O)C2(c3ccc(Br)cc3)CCC2)CC1 ZINC000913682288 664349520 /nfs/dbraw/zinc/34/95/20/664349520.db2.gz YOUKFXIMWSRLKH-UHFFFAOYSA-N 1 0 395.341 2.786 20 0 GFADRO CC[C@H](Cc1cccc(Br)c1)C(=O)N1CCC(O)(C[NH+](C)C)CC1 ZINC000913680143 664349541 /nfs/dbraw/zinc/34/95/41/664349541.db2.gz GIPDWJJFMMLVAH-MRXNPFEDSA-N 1 0 397.357 2.933 20 0 GFADRO O=C(c1cc(Br)c[nH]c1=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccccc1 ZINC000913687322 664349942 /nfs/dbraw/zinc/34/99/42/664349942.db2.gz GGSIATAKLMJSNQ-GJZGRUSLSA-N 1 0 388.265 2.649 20 0 GFADRO C[C@@H](C(=O)N1CC[NH+](CCCCCO)CC1)c1ccc(Br)s1 ZINC000913691787 664350565 /nfs/dbraw/zinc/35/05/65/664350565.db2.gz KRKBASQJHLKPLH-CYBMUJFWSA-N 1 0 389.359 2.921 20 0 GFADRO O=S(=O)(Cc1ccsc1Br)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000913933552 664366627 /nfs/dbraw/zinc/36/66/27/664366627.db2.gz KWNDJFCXEKREBR-VXGBXAGGSA-N 1 0 379.345 2.557 20 0 GFADRO CN(Cc1cccc(Br)c1)S(=O)(=O)C[C@@]12CC[N@H+](C1)CCC2 ZINC000913954994 664368643 /nfs/dbraw/zinc/36/86/43/664368643.db2.gz YJUMJXCZXSHJKG-INIZCTEOSA-N 1 0 387.343 2.697 20 0 GFADRO C[C@H]1CCC[N@H+](CCNC(=O)NC2(c3ncc(Br)cn3)CCC2)C1 ZINC000914076672 664374912 /nfs/dbraw/zinc/37/49/12/664374912.db2.gz GOLWAMYSHSDCGF-ZDUSSCGKSA-N 1 0 396.333 2.649 20 0 GFADRO C[C@H]1CCC[N@H+](CCCCNC(=O)N(C)Cc2ncc(Br)cn2)C1 ZINC000914100251 664376497 /nfs/dbraw/zinc/37/64/97/664376497.db2.gz WJZPAUFWNLWCRK-AWEZNQCLSA-N 1 0 398.349 2.893 20 0 GFADRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)N1CCC[C@H]1c1ncc(Br)cn1 ZINC000914161319 664380774 /nfs/dbraw/zinc/38/07/74/664380774.db2.gz WENXJFUHCYQLLX-WFASDCNBSA-N 1 0 394.317 2.570 20 0 GFADRO COCC[N@H+](C)CCCNC(=O)N1CCC[C@@H]1c1cncc(Br)c1 ZINC000914176436 664382849 /nfs/dbraw/zinc/38/28/49/664382849.db2.gz HQCMHABJPVBJIN-MRXNPFEDSA-N 1 0 399.333 2.659 20 0 GFADRO CN(CCCC[NH+](C)C)S(=O)(=O)Cc1cccc(F)c1Br ZINC000914225111 664387763 /nfs/dbraw/zinc/38/77/63/664387763.db2.gz BVHSPCDXHNRYMK-UHFFFAOYSA-N 1 0 381.311 2.692 20 0 GFADRO C[N@@H+]1CCC[C@@H]2CN(S(=O)(=O)c3cnc(-c4ccccc4)s3)CC[C@@H]21 ZINC000914259393 664391646 /nfs/dbraw/zinc/39/16/46/664391646.db2.gz RKGLFCMYQVGWTR-CVEARBPZSA-N 1 0 377.535 2.915 20 0 GFADRO C[N@@H+]1CCC[C@H](NC(=O)N2CCCC[C@@H]2c2ncc(Br)cn2)C1 ZINC000914315118 664398440 /nfs/dbraw/zinc/39/84/40/664398440.db2.gz LAKXWYTWKRRLRG-UONOGXRCSA-N 1 0 382.306 2.570 20 0 GFADRO C[N@@H+]1CCC[C@@H]1CNC(=O)N1CCCC[C@@H]1c1ncc(Br)cn1 ZINC000914391242 664406070 /nfs/dbraw/zinc/40/60/70/664406070.db2.gz FMHIIXVOUDGVOM-ZIAGYGMSSA-N 1 0 382.306 2.570 20 0 GFADRO O=C(/C=C\c1ccc(Br)o1)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000914688199 664414009 /nfs/dbraw/zinc/41/40/09/664414009.db2.gz JGUBUWHZKIGXBY-PKYBCLHXSA-N 1 0 383.286 2.769 20 0 GFADRO COc1ccc(OC)c([C@@H](O)C[NH2+]Cc2ccc(O)c(Br)c2)c1 ZINC000915224887 664424367 /nfs/dbraw/zinc/42/43/67/664424367.db2.gz WSQMOSWSSZKYEB-INIZCTEOSA-N 1 0 382.254 2.995 20 0 GFADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2ccc(Cl)c(S(C)(=O)=O)c2)C1 ZINC000916067500 664448525 /nfs/dbraw/zinc/44/85/25/664448525.db2.gz RLHZFNAXWDRJQH-OKILXGFUSA-N 1 0 386.945 2.841 20 0 GFADRO CC[N@H+](CCNC(=O)N1CCCC[C@@H]1c1ncc(Br)cn1)C1CC1 ZINC000916116645 664450730 /nfs/dbraw/zinc/45/07/30/664450730.db2.gz AYCIMWWBXDIIHN-OAHLLOKOSA-N 1 0 396.333 2.960 20 0 GFADRO C[C@@H](CNC(=O)N1CCC[C@H]1c1ncc(Br)cn1)[N@H+](C)C1CC1 ZINC000916850195 664473141 /nfs/dbraw/zinc/47/31/41/664473141.db2.gz CVYVESXNVFQCKZ-FZMZJTMJSA-N 1 0 382.306 2.568 20 0 GFADRO O=C(OCC[NH+]1CCCCC1)[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000917538159 664485711 /nfs/dbraw/zinc/48/57/11/664485711.db2.gz KJHHYRYBUIRLCN-INIZCTEOSA-N 1 0 395.297 2.831 20 0 GFADRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)NCc1cnc(Br)cn1 ZINC000917577300 664486794 /nfs/dbraw/zinc/48/67/94/664486794.db2.gz JXVNIQIZLLXYAR-CQSZACIVSA-N 1 0 384.322 2.693 20 0 GFADRO O=S(=O)(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(OC(F)F)c(Cl)c1 ZINC000917654141 664487918 /nfs/dbraw/zinc/48/79/18/664487918.db2.gz BMVWYSZZLATOMR-GHMZBOCLSA-N 1 0 380.844 2.847 20 0 GFADRO C[C@H](CNC(=O)c1cn(-c2ccccc2Br)nn1)[NH+]1CCCCC1 ZINC000917838881 664490525 /nfs/dbraw/zinc/49/05/25/664490525.db2.gz QDSONYMMEXIIOE-CYBMUJFWSA-N 1 0 392.301 2.634 20 0 GFADRO C[C@@H](NC(=O)NC1CC[NH+](CCO)CC1)c1cc(Cl)cc(Cl)c1F ZINC000917836095 664490609 /nfs/dbraw/zinc/49/06/09/664490609.db2.gz CRMFSCWUEUUXRM-SNVBAGLBSA-N 1 0 378.275 2.949 20 0 GFADRO C[C@]1(Cc2ccc(Cl)s2)CCCN1C(=O)NC1CC[NH+](CCO)CC1 ZINC000917841826 664490790 /nfs/dbraw/zinc/49/07/90/664490790.db2.gz CIOZUPDALSIXJS-GOSISDBHSA-N 1 0 385.961 2.965 20 0 GFADRO C[NH+](C)C1CCN(C(=O)C(=O)Nc2cccc(C3SCCS3)c2)CC1 ZINC000918434025 664498999 /nfs/dbraw/zinc/49/89/99/664498999.db2.gz VHTFYDCMIJMVCI-UHFFFAOYSA-N 1 0 379.551 2.656 20 0 GFADRO CC(C)[C@@H](C[NH+](C)C)NC(=O)c1cnn(-c2ccc(Br)cc2)c1 ZINC000918693304 664502716 /nfs/dbraw/zinc/50/27/16/664502716.db2.gz GKAPGZNTEQUPRA-MRXNPFEDSA-N 1 0 379.302 2.951 20 0 GFADRO Nc1cc[nH+]c2c1CN(S(=O)(=O)c1ccc(C(F)(F)F)c(F)c1)CC2 ZINC000918900723 664506258 /nfs/dbraw/zinc/50/62/58/664506258.db2.gz ULZADMKMVILZQE-UHFFFAOYSA-N 1 0 375.347 2.569 20 0 GFADRO Cc1cc(Br)c(S(=O)(=O)N2CCc3[nH+]ccc(N)c3C2)s1 ZINC000918899551 664506272 /nfs/dbraw/zinc/50/62/72/664506272.db2.gz IENUXZCEUGDZAZ-UHFFFAOYSA-N 1 0 388.312 2.543 20 0 GFADRO Cc1ccc(Br)c(CS(=O)(=O)N2CCc3[nH+]ccc(N)c3C2)c1 ZINC000918905895 664506351 /nfs/dbraw/zinc/50/63/51/664506351.db2.gz ITXKZEAVUTTWOZ-UHFFFAOYSA-N 1 0 396.310 2.623 20 0 GFADRO O=S(=O)(C[C@@]12CC[N@H+](C1)CCC2)NCc1cc(C(F)(F)F)cc(Cl)n1 ZINC000919248883 664510157 /nfs/dbraw/zinc/51/01/57/664510157.db2.gz IGTLXNMBUGXIJY-AWEZNQCLSA-N 1 0 397.850 2.659 20 0 GFADRO C[NH+](C)CC[C@@H](NS(=O)(=O)c1cccc2scnc21)c1cccnc1 ZINC000921479307 664549984 /nfs/dbraw/zinc/54/99/84/664549984.db2.gz GOKSFMRSMZJPBA-CQSZACIVSA-N 1 0 376.507 2.663 20 0 GFADRO C[NH+](C)CC[C@@H](NS(=O)(=O)CCc1cccc(Cl)c1)c1cccnc1 ZINC000921479066 664550019 /nfs/dbraw/zinc/55/00/19/664550019.db2.gz ANPZHNZFDHSDIT-GOSISDBHSA-N 1 0 381.929 2.890 20 0 GFADRO O=C(NCc1csc(-c2ccco2)n1)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000921506506 664551184 /nfs/dbraw/zinc/55/11/84/664551184.db2.gz HSZWZGHDALGQGC-KBPBESRZSA-N 1 0 378.523 2.782 20 0 GFADRO CCn1c(Br)c(Br)nc1C[NH2+]CCCn1cccn1 ZINC000921520739 664551870 /nfs/dbraw/zinc/55/18/70/664551870.db2.gz MCFHLZZTPQCMDW-UHFFFAOYSA-N 1 0 391.111 2.804 20 0 GFADRO CC[NH+]1CCN(Cc2ccc(CNCc3nc(Br)c[nH]3)cc2)CC1 ZINC000921544468 664552902 /nfs/dbraw/zinc/55/29/02/664552902.db2.gz RPLQSYWXXLFUJM-UHFFFAOYSA-N 1 0 392.345 2.600 20 0 GFADRO C[C@@H](CN1CCOCC1)[NH2+]Cc1c[nH]nc1-c1ccc(Br)s1 ZINC000921546144 664553054 /nfs/dbraw/zinc/55/30/54/664553054.db2.gz MRKKHPMUMOWASC-NSHDSACASA-N 1 0 385.331 2.711 20 0 GFADRO Cc1ccc([C@@H](C[NH2+]Cc2nc(Br)c[nH]2)N2CCOCC2)cc1 ZINC000921563642 664553360 /nfs/dbraw/zinc/55/33/60/664553360.db2.gz OCYHUTLAPZXPSO-OAHLLOKOSA-N 1 0 379.302 2.644 20 0 GFADRO COc1cc(C[NH2+]Cc2c3c(nn2C)CCC3)cc(Br)c1OC ZINC000921691789 664560936 /nfs/dbraw/zinc/56/09/36/664560936.db2.gz JQUKBIGEMAHZFR-UHFFFAOYSA-N 1 0 380.286 2.978 20 0 GFADRO Cc1cc(C[NH2+]C[C@H](O)C2CCOCC2)c(C)cc1I ZINC000921760996 664566826 /nfs/dbraw/zinc/56/68/26/664566826.db2.gz LSUVACDKXDZDNW-INIZCTEOSA-N 1 0 389.277 2.785 20 0 GFADRO C[C@@H](CCS(C)(=O)=O)[NH2+]Cc1cc2c(cc(F)cc2Br)[nH]1 ZINC000921851405 664572229 /nfs/dbraw/zinc/57/22/29/664572229.db2.gz YGKFJBQDHKMDHK-VIFPVBQESA-N 1 0 377.279 2.982 20 0 GFADRO O=S(=O)(Cc1cc(Cl)sc1Cl)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000921910770 664575992 /nfs/dbraw/zinc/57/59/92/664575992.db2.gz FNDVTCPWAOLLBT-LBPRGKRZSA-N 1 0 399.365 2.728 20 0 GFADRO Cc1csc(C[C@H]2CCN(S(=O)(=O)c3ccc(C[NH+](C)C)cc3)C2)n1 ZINC000921964208 664579412 /nfs/dbraw/zinc/57/94/12/664579412.db2.gz ZMZXZJLTYKHDSG-MRXNPFEDSA-N 1 0 379.551 2.766 20 0 GFADRO CCn1c(CNC[C@H](C)C[NH+](C)C)nc(Br)c1Br ZINC000922138959 664587485 /nfs/dbraw/zinc/58/74/85/664587485.db2.gz FKQDMDUENWTJIJ-VIFPVBQESA-N 1 0 382.144 2.715 20 0 GFADRO CCn1c(C[NH2+]CC2(CC)COC2)nc(Br)c1Br ZINC000922163119 664588394 /nfs/dbraw/zinc/58/83/94/664588394.db2.gz ZQBHLKKPKTUXEU-UHFFFAOYSA-N 1 0 381.112 2.944 20 0 GFADRO OC[C@@H](C[NH2+]Cc1cnn(CCF)c1)Cc1cc(Br)ccc1F ZINC000922161282 664588449 /nfs/dbraw/zinc/58/84/49/664588449.db2.gz ADWKNFISFXXFJI-GFCCVEGCSA-N 1 0 388.256 2.695 20 0 GFADRO Cc1c(Br)cccc1C[C@H](CO)C[NH2+]Cc1cnn(CCF)c1 ZINC000922168857 664588629 /nfs/dbraw/zinc/58/86/29/664588629.db2.gz NUNPKRGCFJQVOC-AWEZNQCLSA-N 1 0 384.293 2.864 20 0 GFADRO Cc1nnc([C@@H]2OCC[C@@H]2C[NH2+]Cc2c(Cl)nc3cc(Cl)ccn32)[nH]1 ZINC000922407965 664600339 /nfs/dbraw/zinc/60/03/39/664600339.db2.gz XCDYIDAZEMDONE-QMTHXVAHSA-N 1 0 381.267 2.935 20 0 GFADRO CN1C[C@@H](CC[NH2+]Cc2nc(-c3ccc(Br)cc3)c[nH]2)CC1=O ZINC000922490253 664603693 /nfs/dbraw/zinc/60/36/93/664603693.db2.gz WNEIKYDTOKSLJA-LBPRGKRZSA-N 1 0 377.286 2.797 20 0 GFADRO COc1ccc(C[NH2+]Cc2cn(C(C)(C)C)c(=O)[nH]c2=O)cc1Br ZINC000922497545 664604396 /nfs/dbraw/zinc/60/43/96/664604396.db2.gz GOMGSRDPZZMSMK-UHFFFAOYSA-N 1 0 396.285 2.765 20 0 GFADRO COc1ccc(C[NH2+][C@@H]2CCCN3CCSC[C@H]23)c(Br)c1O ZINC000922523331 664605532 /nfs/dbraw/zinc/60/55/32/664605532.db2.gz JWHRCYBTIVOMGP-CHWSQXEVSA-N 1 0 387.343 2.833 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+]CC[C@H]2CC[C@H](C(F)(F)F)O2)cc1Cl ZINC000922676356 664610467 /nfs/dbraw/zinc/61/04/67/664610467.db2.gz JMCXLWKJDMPUKL-ZWNOBZJWSA-N 1 0 386.823 2.577 20 0 GFADRO Brc1ccccc1CN1CCC([NH2+]C[C@H]2C[C@@H]3COC[C@@H]3O2)CC1 ZINC000922727470 664612231 /nfs/dbraw/zinc/61/22/31/664612231.db2.gz YBYPICWQTDXNMG-SUMDDJOVSA-N 1 0 395.341 2.807 20 0 GFADRO CC(C)(C[NH2+]Cc1csc(-c2ccc3c(c2)OCO3)n1)CS(C)(=O)=O ZINC000922739036 664612988 /nfs/dbraw/zinc/61/29/88/664612988.db2.gz ZLNUDWSKCWJZFO-UHFFFAOYSA-N 1 0 382.507 2.699 20 0 GFADRO Cc1cc(Br)cn2c(C[NH2+]CC(C)(C)CS(C)(=O)=O)cnc12 ZINC000922739896 664613047 /nfs/dbraw/zinc/61/30/47/664613047.db2.gz WPFPUFPUZYXXFK-UHFFFAOYSA-N 1 0 388.331 2.566 20 0 GFADRO C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1C[NH2+]CC(C)(C)CS(C)(=O)=O ZINC000922739192 664613066 /nfs/dbraw/zinc/61/30/66/664613066.db2.gz DIXIMCCQZRGWNR-GJZGRUSLSA-N 1 0 376.563 2.540 20 0 GFADRO COc1nsc(C[NH2+]CC[C@@H](N(C)C)C(F)(F)F)c1Br ZINC000922750885 664613251 /nfs/dbraw/zinc/61/32/51/664613251.db2.gz HJPSVIWQIFUNSU-MRVPVSSYSA-N 1 0 376.242 2.886 20 0 GFADRO O=C(c1cc(F)cc(Br)c1)N1CCC([NH2+]C2CCOCC2)CC1 ZINC000922861777 664616814 /nfs/dbraw/zinc/61/68/14/664616814.db2.gz YGNFGAREMXFPEX-UHFFFAOYSA-N 1 0 385.277 2.961 20 0 GFADRO Cn1nccc1[C@H](O)C[NH2+]Cc1cc(Br)sc1Br ZINC000922970192 664620352 /nfs/dbraw/zinc/62/03/52/664620352.db2.gz JUPUCTJHKDMCTR-SECBINFHSA-N 1 0 395.120 2.830 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)N2CCC[C@@H]2c2ncc(Br)cn2)C1 ZINC000923190278 664623967 /nfs/dbraw/zinc/62/39/67/664623967.db2.gz MUDZLAYGPPVISV-ZIAGYGMSSA-N 1 0 396.333 2.958 20 0 GFADRO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)c1cnnn1-c1c(Cl)cccc1Cl ZINC000923269043 664627090 /nfs/dbraw/zinc/62/70/90/664627090.db2.gz TYQHVQVZKRBZCE-NWDGAFQWSA-N 1 0 380.279 2.883 20 0 GFADRO COC(=O)c1cc(Br)c(CN(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1OC ZINC000923328528 664628337 /nfs/dbraw/zinc/62/83/37/664628337.db2.gz LUOGTFRHDNGJNB-PBWFPOADSA-N 1 0 397.313 2.959 20 0 GFADRO Cn1ncc(Br)c1CN1C[C@H](C[C@H]2COCC[NH2+]2)c2ccccc21 ZINC000923539433 664633406 /nfs/dbraw/zinc/63/34/06/664633406.db2.gz FGCFLDBSCGKZLB-KBPBESRZSA-N 1 0 391.313 2.665 20 0 GFADRO Cc1nn(CC(C)C)c(Cl)c1[C@H]1CCCN1S(=O)(=O)[C@H]1CCC[NH2+]C1 ZINC000923628979 664634812 /nfs/dbraw/zinc/63/48/12/664634812.db2.gz RIBPNAXXGLOSPX-LSDHHAIUSA-N 1 0 388.965 2.720 20 0 GFADRO [NH3+][C@@H]1CN(S(=O)(=O)c2cnc(-c3ccccc3)s2)CC[C@@H]1C(F)(F)F ZINC000923677226 664635486 /nfs/dbraw/zinc/63/54/86/664635486.db2.gz GHKFKWRAZAUNMF-NWDGAFQWSA-N 1 0 391.440 2.710 20 0 GFADRO C[C@@H]1CN(S(=O)(=O)c2oc3ccccc3c2Br)CC[C@H]1C[NH3+] ZINC000923702435 664636419 /nfs/dbraw/zinc/63/64/19/664636419.db2.gz OSQJUGRQEXIWBZ-MNOVXSKESA-N 1 0 387.299 2.801 20 0 GFADRO C[C@H]1CN(S(=O)(=O)c2ccc(Cl)cc2Br)CC[C@@H]1C[NH3+] ZINC000923701937 664636443 /nfs/dbraw/zinc/63/64/43/664636443.db2.gz JDVJHVJOYATGLZ-VHSXEESVSA-N 1 0 381.723 2.708 20 0 GFADRO Cc1cc(Br)ccc1CS(=O)(=O)N1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923704196 664636610 /nfs/dbraw/zinc/63/66/10/664636610.db2.gz SXQFCULLIHBACV-STQMWFEESA-N 1 0 375.332 2.504 20 0 GFADRO COc1cc(S(=O)(=O)N[C@H]2C[C@@](C[NH3+])(c3ccccc3)C2)ccc1Cl ZINC000923738318 664637235 /nfs/dbraw/zinc/63/72/35/664637235.db2.gz AEJYXYWFJZSCON-UJKQEGAGSA-N 1 0 380.897 2.686 20 0 GFADRO CNS(=O)(=O)Cc1ccc(C[NH2+][C@H](C)c2cccc(Br)n2)cc1 ZINC000924736866 664660559 /nfs/dbraw/zinc/66/05/59/664660559.db2.gz IXIKOYOQKVHCCO-GFCCVEGCSA-N 1 0 398.326 2.744 20 0 GFADRO CSc1ccc(C[NH2+][C@H](C)c2ccc(S(=O)(=O)CC(N)=O)cc2)cc1 ZINC000924770322 664661370 /nfs/dbraw/zinc/66/13/70/664661370.db2.gz OZVGMVZYUAYLNX-CYBMUJFWSA-N 1 0 378.519 2.518 20 0 GFADRO C[C@@H]([NH2+]Cc1ccccc1Br)C1CCN(S(C)(=O)=O)CC1 ZINC000924856255 664662857 /nfs/dbraw/zinc/66/28/57/664662857.db2.gz AHYZKRBDCJHORI-GFCCVEGCSA-N 1 0 375.332 2.599 20 0 GFADRO CN1C(=O)N([C@@H]2CC[N@@H+](C3CC3)C2)C(=O)[C@@H]1c1cccc(Br)c1 ZINC000924884098 664663631 /nfs/dbraw/zinc/66/36/31/664663631.db2.gz BEZGQJBCAOTCKU-CABCVRRESA-N 1 0 378.270 2.621 20 0 GFADRO Brc1ccc(N2CC[C@H]([NH2+][C@H]3CCOC34CCOCC4)C2)cc1 ZINC000924938742 664664123 /nfs/dbraw/zinc/66/41/23/664664123.db2.gz MTRBBUJEQJWGES-RDJZCZTQSA-N 1 0 381.314 2.956 20 0 GFADRO O=S(=O)(N1CCC([NH2+][C@H]2CCc3c2nccc3Cl)CC1)C(F)(F)F ZINC000925262626 664669406 /nfs/dbraw/zinc/66/94/06/664669406.db2.gz MQHLEXYZWCXTQG-LBPRGKRZSA-N 1 0 383.823 2.626 20 0 GFADRO CC[N@@H+]1CCC[C@H](N2C(=O)[C@@H](c3ccc(Br)s3)N(C)C2=O)C1 ZINC000925298784 664670123 /nfs/dbraw/zinc/67/01/23/664670123.db2.gz PSMWFLUYMXQVAZ-GXFFZTMASA-N 1 0 386.315 2.930 20 0 GFADRO CNc1cc(N2CCC[C@H]2C[NH2+][C@H](C)c2cccc(Br)n2)ncn1 ZINC000925368632 664671220 /nfs/dbraw/zinc/67/12/20/664671220.db2.gz DOCAHRYXBLMMBD-OLZOCXBDSA-N 1 0 391.317 2.995 20 0 GFADRO CCC1([NH3+])CCN([C@@H](C)c2ccc(S(=O)(=O)C(F)F)c(OC)c2)CC1 ZINC000925755926 664674374 /nfs/dbraw/zinc/67/43/74/664674374.db2.gz ISEFHBBMKHJFDW-LBPRGKRZSA-N 1 0 376.469 2.956 20 0 GFADRO O=S1(=O)CCNC[C@H]1CC[NH2+][C@@H]1CCCc2c(Cl)sc(Cl)c21 ZINC000925791959 664674851 /nfs/dbraw/zinc/67/48/51/664674851.db2.gz HLWRPCSQHHNVNQ-MWLCHTKSSA-N 1 0 383.366 2.799 20 0 GFADRO O=S1(=O)CCNC[C@H]1CC[NH2+][C@H](c1ccc(Cl)c(Cl)c1)C1CC1 ZINC000925799776 664675042 /nfs/dbraw/zinc/67/50/42/664675042.db2.gz SZFLISWOCIXFKS-CJNGLKHVSA-N 1 0 377.337 2.811 20 0 GFADRO C[C@@H](NC[C@]12CCC[C@H]1[NH2+]CC2)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000925841534 664675732 /nfs/dbraw/zinc/67/57/32/664675732.db2.gz PTYMWHZJNAUXKV-UHNFBRDESA-N 1 0 392.352 2.824 20 0 GFADRO CC[C@@H]1CN(S(C)(=O)=O)CC[C@H]1[NH2+][C@H](C)c1cccc(Br)n1 ZINC000925885188 664676627 /nfs/dbraw/zinc/67/66/27/664676627.db2.gz RUSZFRZJFNDFMG-YRGRVCCFSA-N 1 0 390.347 2.555 20 0 GFADRO Cc1csc(Sc2ccc(NC(=O)N3CCNCC[NH2+]CC3)cc2)n1 ZINC000925971729 664678500 /nfs/dbraw/zinc/67/85/00/664678500.db2.gz BVUNKBOOSHXDDJ-UHFFFAOYSA-N 1 0 377.539 2.629 20 0 GFADRO CCOc1cc(Br)c(NC(=O)N[C@@H]2C[NH2+]C[C@H]2C)cc1OCC ZINC000925979861 664678656 /nfs/dbraw/zinc/67/86/56/664678656.db2.gz UDGYVJCMEJEWNC-ZWNOBZJWSA-N 1 0 386.290 2.976 20 0 GFADRO Cc1ccc(NC(=O)N2CCC3(CO[C@@H](C[NH3+])C3)CC2)c(Br)n1 ZINC000926078066 664681027 /nfs/dbraw/zinc/68/10/27/664681027.db2.gz NOEBXLMWPXDYHE-GFCCVEGCSA-N 1 0 383.290 2.514 20 0 GFADRO Cc1ccc(Br)c(NC(=O)NC[C@@H]2CC3(CC[NH2+]CC3)C(=O)O2)c1 ZINC000926080725 664681072 /nfs/dbraw/zinc/68/10/72/664681072.db2.gz HZJYMHWKQWKSFG-LBPRGKRZSA-N 1 0 396.285 2.564 20 0 GFADRO Cc1cnc(Br)cc1NC(=O)N1CC[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000926098263 664681578 /nfs/dbraw/zinc/68/15/78/664681578.db2.gz UVAUMSFTAOYTRY-RKDXNWHRSA-N 1 0 381.196 2.896 20 0 GFADRO [NH3+][C@H]1CN(C(=O)Nc2nc(C3CCOCC3)cs2)CC[C@@H]1C(F)(F)F ZINC000926113896 664682092 /nfs/dbraw/zinc/68/20/92/664682092.db2.gz BWKCOAHBBGLYDK-QWRGUYRKSA-N 1 0 378.420 2.781 20 0 GFADRO C[C@@H]1CN(C(=O)Nc2ccc3nccnc3c2Br)CC[C@@H]1C[NH3+] ZINC000926118164 664682239 /nfs/dbraw/zinc/68/22/39/664682239.db2.gz ZCELKSCTOBWSSF-GHMZBOCLSA-N 1 0 378.274 2.841 20 0 GFADRO [NH3+]CC[C@@H](NC(=O)N1CCC(c2nc3c(s2)CCC3)CC1)C(F)(F)F ZINC000926169233 664683613 /nfs/dbraw/zinc/68/36/13/664683613.db2.gz IXNJAMHYLMUSRV-CYBMUJFWSA-N 1 0 376.448 2.801 20 0 GFADRO [NH3+]C[C@H](NC(=O)N1CCC[C@@H]1c1cncc(Br)c1)C(F)(F)F ZINC000926169976 664683617 /nfs/dbraw/zinc/68/36/17/664683617.db2.gz QKDAHFFZSLIRCM-MNOVXSKESA-N 1 0 381.196 2.580 20 0 GFADRO CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)c1ccc(F)c(Br)c1)C2 ZINC000926169364 664683641 /nfs/dbraw/zinc/68/36/41/664683641.db2.gz DAXVXZXAIIORCS-KONPQCLYSA-N 1 0 399.304 2.798 20 0 GFADRO [NH3+]CC[C@@H](NC(=O)N1CCc2ccc(Br)c(F)c2C1)C(F)(F)F ZINC000926171718 664683804 /nfs/dbraw/zinc/68/38/04/664683804.db2.gz WTDROFFFTUCWDX-LLVKDONJSA-N 1 0 398.198 2.936 20 0 GFADRO CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NC(=O)c3oc(Br)cc3C)C2)[C@H]1C(C)C ZINC000926256194 664685717 /nfs/dbraw/zinc/68/57/17/664685717.db2.gz QUQQOLLICDVQBH-ZHCAMHROSA-N 1 0 399.329 2.950 20 0 GFADRO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NC(=O)c3coc(Br)c3)C2)[C@H]1C(C)C ZINC000926258005 664685746 /nfs/dbraw/zinc/68/57/46/664685746.db2.gz CXTAHKHIXRTDES-SMKXDYDZSA-N 1 0 385.302 2.642 20 0 GFADRO C[C@H](CCCC(F)(F)F)[NH2+][C@H](C)c1ccc(S(=O)(=O)CC(N)=O)cc1 ZINC000926279552 664686059 /nfs/dbraw/zinc/68/60/59/664686059.db2.gz OOWYJTODTIBCFN-VXGBXAGGSA-N 1 0 380.432 2.717 20 0 GFADRO C[C@@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000926302958 664687354 /nfs/dbraw/zinc/68/73/54/664687354.db2.gz KOBYSCFJSAPJDU-FPMFFAJLSA-N 1 0 384.307 2.581 20 0 GFADRO O=C1CC[C@H]([NH2+][C@@H]2CCCc3ncc(Br)cc32)[C@@H]([C@H]2CCCO2)N1 ZINC000926445534 664690102 /nfs/dbraw/zinc/69/01/02/664690102.db2.gz UHXCIWFLMBEAPR-HPFXQQBRSA-N 1 0 394.313 2.637 20 0 GFADRO COc1ccc(C[C@@H](CO)C[NH2+][C@@H](C)c2cn(C)cn2)cc1Br ZINC000926540462 664691865 /nfs/dbraw/zinc/69/18/65/664691865.db2.gz JZTILDWFHYAUGY-GXTWGEPZSA-N 1 0 382.302 2.693 20 0 GFADRO COc1ccc(Br)cc1C[C@H](CO)C[NH2+][C@H](C)c1ccnnc1 ZINC000926541853 664691939 /nfs/dbraw/zinc/69/19/39/664691939.db2.gz KMLGWWAWIVQODR-OLZOCXBDSA-N 1 0 380.286 2.750 20 0 GFADRO O[C@H](C[NH2+][C@@H](Cc1ccccc1Br)c1ccco1)Cn1ccnn1 ZINC000926574066 664692563 /nfs/dbraw/zinc/69/25/63/664692563.db2.gz UFPCYDSEFOBNDQ-ZBFHGGJFSA-N 1 0 391.269 2.568 20 0 GFADRO CCO[C@H](CNC(=O)N(C)[C@H](CO)c1cccc(Cl)c1Cl)C[NH+](C)C ZINC000926848764 664697880 /nfs/dbraw/zinc/69/78/80/664697880.db2.gz VUJFRNAOIYMWQL-IUODEOHRSA-N 1 0 392.327 2.635 20 0 GFADRO [NH3+]C[C@@H]1CCCN(C(=O)c2ccc(Cn3cc(Br)cn3)s2)C1 ZINC000927770241 664715558 /nfs/dbraw/zinc/71/55/58/664715558.db2.gz VRXHVRKAUGLNRX-NSHDSACASA-N 1 0 383.315 2.566 20 0 GFADRO [NH3+]C[C@H]1Cc2ccccc2N1C(=O)C(F)(F)c1ncccc1Br ZINC000927773606 664715820 /nfs/dbraw/zinc/71/58/20/664715820.db2.gz OAEMLCHJAUKYHY-LLVKDONJSA-N 1 0 382.208 2.853 20 0 GFADRO Cc1c(NC(=O)C(=O)N(C)C[C@@H](C)[NH3+])cc(Br)cc1C(F)(F)F ZINC000927808329 664716149 /nfs/dbraw/zinc/71/61/49/664716149.db2.gz SYGCNTXZZRVEJW-SSDOTTSWSA-N 1 0 396.207 2.520 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)CCS1 ZINC000927872599 664716970 /nfs/dbraw/zinc/71/69/70/664716970.db2.gz MNUVZJIJMSKRLB-SKDRFNHKSA-N 1 0 375.416 2.503 20 0 GFADRO C[C@H]1C[C@H](NC(=O)C(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)CCS1 ZINC000927872597 664716983 /nfs/dbraw/zinc/71/69/83/664716983.db2.gz MNUVZJIJMSKRLB-JOYOIKCWSA-N 1 0 375.416 2.503 20 0 GFADRO C[C@H]1CN(C(=O)C(=O)Nc2cc(Cl)ccc2C(F)(F)F)CC[C@@H]1C[NH3+] ZINC000927890328 664717362 /nfs/dbraw/zinc/71/73/62/664717362.db2.gz HEKUNJUETLLKOL-VHSXEESVSA-N 1 0 377.794 2.741 20 0 GFADRO C[C@H]1CN(C(=O)C(=O)Nc2ccc(C(F)(F)F)cc2Cl)CC[C@@H]1C[NH3+] ZINC000927894683 664717498 /nfs/dbraw/zinc/71/74/98/664717498.db2.gz NLVNZFJKKKOPQW-VHSXEESVSA-N 1 0 377.794 2.741 20 0 GFADRO O=C(Cc1ccc(Br)s1)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000928091150 664722699 /nfs/dbraw/zinc/72/26/99/664722699.db2.gz CGICEPDBAOLRCN-VXGBXAGGSA-N 1 0 375.357 2.749 20 0 GFADRO CC[NH+](CC)CCNC(=O)c1cnn(Cc2ccccc2)c1Br ZINC000929109780 664746562 /nfs/dbraw/zinc/74/65/62/664746562.db2.gz SLQULGAJCHJHOR-UHFFFAOYSA-N 1 0 379.302 2.766 20 0 GFADRO C[NH+]1CCC2(CCN2C(=O)Nc2cc3c(cc2Br)OCCO3)CC1 ZINC000929308867 664749845 /nfs/dbraw/zinc/74/98/45/664749845.db2.gz NGCFDLBRZHHULD-UHFFFAOYSA-N 1 0 396.285 2.922 20 0 GFADRO CC[NH+]1CCC(NC(=O)c2cnn(Cc3ccccc3)c2Br)CC1 ZINC000929459550 664752658 /nfs/dbraw/zinc/75/26/58/664752658.db2.gz IHTOSISXEQBREK-UHFFFAOYSA-N 1 0 391.313 2.908 20 0 GFADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)c2cnc(CCC(F)(F)F)s2)C1 ZINC000929472149 664753098 /nfs/dbraw/zinc/75/30/98/664753098.db2.gz NHLWZSABWLNXJL-GFCCVEGCSA-N 1 0 379.448 2.725 20 0 GFADRO C[C@@H]1C[N@@H+](CCCNC(=O)c2ncc(C(F)(F)F)cc2Cl)C[C@H](C)O1 ZINC000929630314 664755151 /nfs/dbraw/zinc/75/51/51/664755151.db2.gz CXTMEHIIKQUINV-PHIMTYICSA-N 1 0 379.810 2.983 20 0 GFADRO Cc1cc(C(F)(F)C(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)cnc1Cl ZINC000929632478 664755281 /nfs/dbraw/zinc/75/52/81/664755281.db2.gz XLHXBRHOZWGPFR-CHWSQXEVSA-N 1 0 375.847 2.751 20 0 GFADRO C[C@@](O)(C[NH+]1CCC(OC[C@H]2CCCCO2)CC1)C(F)(F)C(F)(F)F ZINC000929803591 664758033 /nfs/dbraw/zinc/75/80/33/664758033.db2.gz ZRCKWPVKQKIOSI-ZIAGYGMSSA-N 1 0 375.378 2.985 20 0 GFADRO COc1cc(Br)c(NC(=O)N2CC[C@@H]3C[N@H+](C)C[C@H]32)cc1OC ZINC000929915388 664759694 /nfs/dbraw/zinc/75/96/94/664759694.db2.gz GYYMVVFBMVHNRR-ZWNOBZJWSA-N 1 0 384.274 2.634 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)c1cc(Br)cn2ncnc12)c1ccsc1 ZINC000929999822 664761047 /nfs/dbraw/zinc/76/10/47/664761047.db2.gz MOHDXWSNERDNSP-ZDUSSCGKSA-N 1 0 394.298 2.586 20 0 GFADRO COC(=O)c1ccc(Br)c(C[N@@H+]2CCCC[C@@H]2[C@@H]2CNC(=O)C2)c1 ZINC000930138175 664763124 /nfs/dbraw/zinc/76/31/24/664763124.db2.gz NWKYWTBTFJNYKS-XJKSGUPXSA-N 1 0 395.297 2.726 20 0 GFADRO Nc1nc(Br)ccc1C[NH2+][C@@H](CN1CCOCC1)c1ccccc1 ZINC000930187195 664764243 /nfs/dbraw/zinc/76/42/43/664764243.db2.gz KYPMDOWPPNDAEE-INIZCTEOSA-N 1 0 391.313 2.589 20 0 GFADRO CC[N@@H+]1CC[C@H](CNC(=O)c2cc3ccc(Br)cc3c(=O)o2)C1 ZINC000930367233 664768183 /nfs/dbraw/zinc/76/81/83/664768183.db2.gz BVIHCUIEIWKMMM-LLVKDONJSA-N 1 0 379.254 2.627 20 0 GFADRO O=C(c1ncc(Br)cn1)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000930471985 664771581 /nfs/dbraw/zinc/77/15/81/664771581.db2.gz ZVNODMYADVTEAR-UHFFFAOYSA-N 1 0 381.318 2.967 20 0 GFADRO C[C@@H]1CN(CCO)[C@@H](C)C[N@@H+]1CCCCOc1ccc(Br)cc1 ZINC000930744784 664777428 /nfs/dbraw/zinc/77/74/28/664777428.db2.gz TVSZQHUNLSTICW-CVEARBPZSA-N 1 0 385.346 2.995 20 0 GFADRO Cc1nccc(NC(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)c1Br ZINC000931016795 664782955 /nfs/dbraw/zinc/78/29/55/664782955.db2.gz IBHUZYMEFIVIIK-AWEZNQCLSA-N 1 0 381.318 2.770 20 0 GFADRO Cc1nccc(NC(=O)N[C@H](CC[NH+](C)C)c2cccnc2)c1Br ZINC000931017230 664782996 /nfs/dbraw/zinc/78/29/96/664782996.db2.gz OIBUMWBGLLCRSK-CQSZACIVSA-N 1 0 392.301 2.784 20 0 GFADRO C[NH+](C)CCc1ccccc1NC(=O)NCc1ncc(Br)cn1 ZINC000931023085 664783366 /nfs/dbraw/zinc/78/33/66/664783366.db2.gz YUJBEACHGBUTRJ-UHFFFAOYSA-N 1 0 378.274 2.665 20 0 GFADRO CS(=O)(=O)c1cc(NC(=O)N2CCC([NH2+]C3CCC3)CC2)ccc1Cl ZINC000931043305 664783952 /nfs/dbraw/zinc/78/39/52/664783952.db2.gz QQOMTNOWYWKKGC-UHFFFAOYSA-N 1 0 385.917 2.882 20 0 GFADRO O=C(NCC1CC[NH+](Cc2cccs2)CC1)c1ncc(Br)cn1 ZINC000931168040 664787383 /nfs/dbraw/zinc/78/73/83/664787383.db2.gz RNJWWRYQNRRXGW-UHFFFAOYSA-N 1 0 395.326 2.943 20 0 GFADRO O=C(NCC[NH+]1CCC(O)CC1)Nc1cc(F)c(Br)cc1Cl ZINC000931256123 664789460 /nfs/dbraw/zinc/78/94/60/664789460.db2.gz HQLLMRJQIXSPRV-UHFFFAOYSA-N 1 0 394.672 2.820 20 0 GFADRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)c2cc(C=O)sc2Cl)CC1 ZINC000931301489 664790947 /nfs/dbraw/zinc/79/09/47/664790947.db2.gz VDMYKFDLBCJWCQ-ZIAGYGMSSA-N 1 0 383.945 2.845 20 0 GFADRO COc1c(C)[nH]cc(C[N@H+](C)C[C@H](O)c2cccc(Br)c2)c1=O ZINC000931323810 664791705 /nfs/dbraw/zinc/79/17/05/664791705.db2.gz PNJCLXIZNTVBGR-HNNXBMFYSA-N 1 0 381.270 2.620 20 0 GFADRO COc1c(C)[nH]cc(C[N@H+](C)C[C@@H](O)c2cccc(Br)c2)c1=O ZINC000931323811 664791737 /nfs/dbraw/zinc/79/17/37/664791737.db2.gz PNJCLXIZNTVBGR-OAHLLOKOSA-N 1 0 381.270 2.620 20 0 GFADRO C[N@H+]1C[C@H]2CC[C@@H](C1)N2Cc1noc(Cc2ccc(Br)cc2)n1 ZINC000931395424 664793730 /nfs/dbraw/zinc/79/37/30/664793730.db2.gz QYOBBGFXNALISC-GASCZTMLSA-N 1 0 377.286 2.701 20 0 GFADRO CNC(=O)c1cccc(NC(=O)N(C)[C@H]2CC[N@@H+](C(C)C)C2)c1Br ZINC000931404699 664793944 /nfs/dbraw/zinc/79/39/44/664793944.db2.gz BCAYTZHDWNHORY-LBPRGKRZSA-N 1 0 397.317 2.755 20 0 GFADRO Cc1cnc(Br)c(NC(=O)NC[C@@H]2CC[N@@H+]2C2CCOCC2)c1 ZINC000931507808 664796784 /nfs/dbraw/zinc/79/67/84/664796784.db2.gz DHXWJQCDDKZCGZ-ZDUSSCGKSA-N 1 0 383.290 2.527 20 0 GFADRO Cc1nn(C)c(NC(=O)N2CCCC3(CC[NH+](C)CC3)C2)c1Br ZINC000931577202 664799464 /nfs/dbraw/zinc/79/94/64/664799464.db2.gz RWGFBUFQEBAEMR-UHFFFAOYSA-N 1 0 384.322 2.831 20 0 GFADRO Cc1nn(C)c(NC(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)c1Br ZINC000931577646 664799496 /nfs/dbraw/zinc/79/94/96/664799496.db2.gz ZNXIGYOMKYCNIS-ZDUSSCGKSA-N 1 0 384.322 2.687 20 0 GFADRO CONC(=O)C1CC[NH+](CCCCOc2ccc(Br)cc2)CC1 ZINC000931607248 664800823 /nfs/dbraw/zinc/80/08/23/664800823.db2.gz ILZHLYFACDWBIL-UHFFFAOYSA-N 1 0 385.302 2.998 20 0 GFADRO COCCC[NH+]1CCC(NC(=O)c2cc(F)cc(Br)c2F)CC1 ZINC000931630314 664801034 /nfs/dbraw/zinc/80/10/34/664801034.db2.gz IXIYAISOHBGJJH-UHFFFAOYSA-N 1 0 391.256 2.958 20 0 GFADRO C[NH+](C)[C@@H]1CCCN(C(=O)c2cc(Br)cnc2Br)C1 ZINC000931693015 664802954 /nfs/dbraw/zinc/80/29/54/664802954.db2.gz SZCPQXDPNNQPGL-SNVBAGLBSA-N 1 0 391.107 2.773 20 0 GFADRO COc1cc(Br)ccc1CCC[NH2+][C@H]1COCCC1(OC)OC ZINC000931673433 664802470 /nfs/dbraw/zinc/80/24/70/664802470.db2.gz PHBPTZVGBWESFO-INIZCTEOSA-N 1 0 388.302 2.758 20 0 GFADRO O[C@H](C[NH2+]C1(c2cc(Cl)cc(Br)c2)CC1)C[C@@]1(O)CCOC1 ZINC000931697801 664803106 /nfs/dbraw/zinc/80/31/06/664803106.db2.gz NOLGTVZCBIYERU-GJZGRUSLSA-N 1 0 390.705 2.584 20 0 GFADRO CN1CCN(C(=O)Nc2cc(Cl)cc(Br)c2)CC[N@H+](C)CC1 ZINC000931706989 664803249 /nfs/dbraw/zinc/80/32/49/664803249.db2.gz MUHQWUIUTGFLDD-UHFFFAOYSA-N 1 0 389.725 2.814 20 0 GFADRO CN(CC1CC[NH+](C)CC1)C(=O)[C@](C)(O)c1ccc(F)c(Br)c1 ZINC000931960959 664807977 /nfs/dbraw/zinc/80/79/77/664807977.db2.gz PODMLCBICFDOJD-QGZVFWFLSA-N 1 0 387.293 2.596 20 0 GFADRO COc1cc[nH+]c(N2CCN(C(=O)c3cc(C)c(Br)o3)CC2)c1 ZINC000932014754 664808969 /nfs/dbraw/zinc/80/89/69/664808969.db2.gz XTPZWHMYVHPPMG-UHFFFAOYSA-N 1 0 380.242 2.717 20 0 GFADRO COCC[N@@H+]1CCC[C@@H](NC(=O)c2cc(Br)cnc2C2CC2)C1 ZINC000932151566 664811370 /nfs/dbraw/zinc/81/13/70/664811370.db2.gz ZHEGYUWDSYGOEO-CQSZACIVSA-N 1 0 382.302 2.562 20 0 GFADRO CN(C(=O)C[C@@H]1C(=O)Nc2ccc(Br)cc21)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000932547264 664825146 /nfs/dbraw/zinc/82/51/46/664825146.db2.gz GNAOGQDLVLGGBL-ZFWWWQNUSA-N 1 0 392.297 2.570 20 0 GFADRO CC[NH+]1CCN([C@H](C)CNC(=O)c2cc(F)cc(Br)c2C)CC1 ZINC000932700847 664832228 /nfs/dbraw/zinc/83/22/28/664832228.db2.gz BPLVJKNJYOAJGP-GFCCVEGCSA-N 1 0 386.309 2.652 20 0 GFADRO O[C@@]1(c2ccc(Br)cc2)CCC[N@H+](Cc2[nH]nc3c2COCC3)C1 ZINC000932813658 664839710 /nfs/dbraw/zinc/83/97/10/664839710.db2.gz BQZDKEUNBZOQHJ-SFHVURJKSA-N 1 0 392.297 2.729 20 0 GFADRO O=S1(=O)CC[C@@H](C[N@H+]2CCC[C@H]2COc2ccc(Br)cc2)C1 ZINC000932882929 664842103 /nfs/dbraw/zinc/84/21/03/664842103.db2.gz DPVROJPPGOGCNA-ZFWWWQNUSA-N 1 0 388.327 2.727 20 0 GFADRO O=C1NCC2(CCOCC2)[C@@H]1[NH2+][C@H]1CCCc2ccc(Br)cc21 ZINC000933034947 664847677 /nfs/dbraw/zinc/84/76/77/664847677.db2.gz MFARYDLTWYFXQN-JKSUJKDBSA-N 1 0 379.298 2.711 20 0 GFADRO O[C@H]1CCOC2(CC[NH+](CCOc3cc(F)cc(Br)c3)CC2)C1 ZINC000933055392 664848506 /nfs/dbraw/zinc/84/85/06/664848506.db2.gz DPOKEYOFELCEBG-HNNXBMFYSA-N 1 0 388.277 2.973 20 0 GFADRO Cc1csc(C[C@@H]2CC[N@@H+](Cc3cccc(S(=O)(=O)N(C)C)c3)C2)n1 ZINC000933125382 664850113 /nfs/dbraw/zinc/85/01/13/664850113.db2.gz GLDTVZLUSQFNJC-INIZCTEOSA-N 1 0 379.551 2.766 20 0 GFADRO Cc1csc(C[C@H]2CC[N@H+](CCC(=O)Nc3sccc3C(N)=O)C2)n1 ZINC000933123303 664850160 /nfs/dbraw/zinc/85/01/60/664850160.db2.gz MVFGIKNIFFZTPQ-GFCCVEGCSA-N 1 0 378.523 2.505 20 0 GFADRO O=S(=O)(CC[NH2+]C1([C@@H]2CCCCO2)CC1)c1ccc(Br)cc1 ZINC000933383202 664861124 /nfs/dbraw/zinc/86/11/24/664861124.db2.gz JEFQAPKPBDLLGO-HNNXBMFYSA-N 1 0 388.327 2.914 20 0 GFADRO Cc1[nH]nc(Br)c1C(=O)N1CC[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC000933692626 664873350 /nfs/dbraw/zinc/87/33/50/664873350.db2.gz BAEWBWXSRMXYCJ-AWEZNQCLSA-N 1 0 377.286 2.827 20 0 GFADRO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)c2nc(Br)c3ccccn32)C1 ZINC000933943445 664882538 /nfs/dbraw/zinc/88/25/38/664882538.db2.gz AJESFNXVMPEWHV-CQSZACIVSA-N 1 0 391.313 2.901 20 0 GFADRO OC[C@@H]1COc2ccccc2[C@@H]1[NH2+]C[C@H](O)c1ccc(F)c(Br)c1 ZINC000934213736 664892441 /nfs/dbraw/zinc/89/24/41/664892441.db2.gz ZITFVGAEFORUTC-PZPSRYQVSA-N 1 0 396.256 2.953 20 0 GFADRO C[C@](Cn1cccn1)([NH2+]CC/C=C/c1ccc(Br)cc1)C(N)=O ZINC000934228266 664892903 /nfs/dbraw/zinc/89/29/03/664892903.db2.gz ZEBLIDPKEKDYLQ-WAUBUAMCSA-N 1 0 377.286 2.583 20 0 GFADRO C[C@@H](Cc1cccnc1)[NH2+]CC(=O)Nc1cccc(I)c1 ZINC000934232237 664892969 /nfs/dbraw/zinc/89/29/69/664892969.db2.gz CLAFJOROXABCOS-LBPRGKRZSA-N 1 0 395.244 2.846 20 0 GFADRO Cc1c(Br)cncc1NC(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000934259296 664894851 /nfs/dbraw/zinc/89/48/51/664894851.db2.gz XDBLELGDCCHUTA-HZPDHXFCSA-N 1 0 397.317 2.652 20 0 GFADRO Cc1c(Br)cncc1NC(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000934266887 664896114 /nfs/dbraw/zinc/89/61/14/664896114.db2.gz IKLSAIRQTWUUHD-GFCCVEGCSA-N 1 0 385.306 2.775 20 0 GFADRO COC1CC[NH+](CCNC(=O)c2cc(F)cc(Br)c2F)CC1 ZINC000934305858 664898091 /nfs/dbraw/zinc/89/80/91/664898091.db2.gz KTTHBICAWNISRZ-UHFFFAOYSA-N 1 0 377.229 2.568 20 0 GFADRO CN(C)[C@H](CNC(=O)Nc1c(Br)cnn1C1CC1)c1ccco1 ZINC000934378312 664904721 /nfs/dbraw/zinc/90/47/21/664904721.db2.gz TYKOZPKJCBAMJU-GFCCVEGCSA-N 1 0 382.262 2.998 20 0 GFADRO Brc1cc2c(cc1C[NH2+][C@H]1CCOC13CCOCC3)OCCO2 ZINC000934410946 664906365 /nfs/dbraw/zinc/90/63/65/664906365.db2.gz SRACEZCRKSEXFA-INIZCTEOSA-N 1 0 384.270 2.648 20 0 GFADRO C[C@@](CO)([NH2+]C[C@@H](O)CC1(O)CCCCC1)c1cccc(Br)c1 ZINC000934492320 664908365 /nfs/dbraw/zinc/90/83/65/664908365.db2.gz BRGXNCUHWKDGQF-IRXDYDNUSA-N 1 0 386.330 2.692 20 0 GFADRO C[C@](CO)([NH2+]Cc1cccc(S(C)(=O)=O)c1)c1cccc(Br)c1 ZINC000934495886 664908812 /nfs/dbraw/zinc/90/88/12/664908812.db2.gz ROAHTJJNOQBBMD-QGZVFWFLSA-N 1 0 398.322 2.850 20 0 GFADRO CCS(=O)(=O)CCCCC[NH2+][C@](C)(CO)c1cccc(Br)c1 ZINC000934496054 664908833 /nfs/dbraw/zinc/90/88/33/664908833.db2.gz IDRKWMCXXNQEDZ-MRXNPFEDSA-N 1 0 392.359 2.851 20 0 GFADRO CNC(=O)c1ccc(C[NH2+][C@@](C)(CO)c2cccc(Br)c2)cc1 ZINC000934497098 664909195 /nfs/dbraw/zinc/90/91/95/664909195.db2.gz QWPFJSKMVLCTJI-SFHVURJKSA-N 1 0 377.282 2.806 20 0 GFADRO CC(C)[NH+]1CCC(O)(CNC(=O)c2cc(F)cc(Br)c2F)CC1 ZINC000934735991 664916196 /nfs/dbraw/zinc/91/61/96/664916196.db2.gz UXZPNVKORLIVQH-UHFFFAOYSA-N 1 0 391.256 2.692 20 0 GFADRO CC(C)c1ncc(Br)c(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)n1 ZINC000934891650 664928567 /nfs/dbraw/zinc/92/85/67/664928567.db2.gz TZGSAKKYUFISQM-JSGCOSHPSA-N 1 0 381.318 2.919 20 0 GFADRO Cc1cc(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)cnc1Br ZINC000934914687 664929949 /nfs/dbraw/zinc/92/99/49/664929949.db2.gz SEYTZGVCBSJDSD-HZPDHXFCSA-N 1 0 396.329 2.650 20 0 GFADRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2ccc3c(Br)cnn3c2)C1 ZINC000934952549 664931659 /nfs/dbraw/zinc/93/16/59/664931659.db2.gz UANQGGNYQTVWEJ-WFASDCNBSA-N 1 0 377.286 2.653 20 0 GFADRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)c1ccc2c(Br)cnn2c1 ZINC000935152450 664942741 /nfs/dbraw/zinc/94/27/41/664942741.db2.gz UGLBHAYGYPCZKZ-GFCCVEGCSA-N 1 0 379.302 2.899 20 0 GFADRO C[NH+]1CCC(C)(CNC(=O)C[C@H]2C(=O)Nc3ccc(Br)cc32)CC1 ZINC000935295014 664951391 /nfs/dbraw/zinc/95/13/91/664951391.db2.gz DYRPNHQGMOUXEB-CQSZACIVSA-N 1 0 394.313 2.723 20 0 GFADRO C[C@H](NC(=O)c1cc(Br)c2nccnc2c1)C1=CC[N@H+](C)CC1 ZINC000935314664 664952970 /nfs/dbraw/zinc/95/29/70/664952970.db2.gz XNQZBDBZIBDIPI-NSHDSACASA-N 1 0 375.270 2.773 20 0 GFADRO Cc1[nH]nc(Br)c1C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000935408414 664959558 /nfs/dbraw/zinc/95/95/58/664959558.db2.gz CETJSVAVEUVXTN-SMDDNHRTSA-N 1 0 377.286 2.731 20 0 GFADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)C/C=C\c1ccc(Br)cc1 ZINC000935447230 664962442 /nfs/dbraw/zinc/96/24/42/664962442.db2.gz YJZNNCBTTKGMQM-MJSXRHKHSA-N 1 0 394.357 2.995 20 0 GFADRO C[NH+](C)C[C@@]1(O)CCCN(C(=O)C/C=C\c2ccc(Br)cc2)C1 ZINC000935679976 664980871 /nfs/dbraw/zinc/98/08/71/664980871.db2.gz NUEITWCNGWCRCJ-AJNOYIKESA-N 1 0 381.314 2.768 20 0 GFADRO CC[C@@H]1C[N@H+](C)CCCN1C(=O)C[C@H]1C(=O)Nc2ccc(Br)cc21 ZINC000935778801 664988129 /nfs/dbraw/zinc/98/81/29/664988129.db2.gz WJEVBFVDCLZPEG-UKRRQHHQSA-N 1 0 394.313 2.818 20 0 GFADRO COc1ccc([C@H](C[NH+](C)C)NC(=O)c2c(C)[nH]nc2Br)cc1 ZINC000935889074 664995760 /nfs/dbraw/zinc/99/57/60/664995760.db2.gz YGZZOCHMMYNWCT-ZDUSSCGKSA-N 1 0 381.274 2.522 20 0 GFADRO CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C)[C@H](NC(=O)c3ccc(Cl)s3)C2)CC[N@@H+]1C ZINC000940397467 665008073 /nfs/dbraw/zinc/00/80/73/665008073.db2.gz HNGNGONOLIHOAN-XJFOESAGSA-N 1 0 383.945 2.709 20 0 GFADRO O=C([C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)N1CC[C@@H]([NH2+]Cc2ccc(Br)cc2)C1 ZINC000969407605 665014875 /nfs/dbraw/zinc/01/48/75/665014875.db2.gz LPSNOLBCIBJTRP-ZXXIGWHRSA-N 1 0 391.309 2.563 20 0 GFADRO CC[C@@H]1[C@@H](C(=O)N2CC[C@H](NC(=O)c3cc(Cl)cs3)[C@H]2C)CC[N@@H+]1C ZINC000987954785 665020053 /nfs/dbraw/zinc/02/00/53/665020053.db2.gz JOLZGZHNTIUZDQ-UQOMUDLDSA-N 1 0 383.945 2.851 20 0 GFADRO C[C@@H]1[C@H](C(=O)N2C[C@@H](CNC(=O)c3csc(Cl)c3)[C@H](C)C2)CC[N@@H+]1C ZINC000994000045 665022563 /nfs/dbraw/zinc/02/25/63/665022563.db2.gz NIMJZNKNGNIHEC-QHSBEEBCSA-N 1 0 383.945 2.566 20 0 GFADRO C[C@@H]1CCC[N@@H+]1CC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(Cl)s1)C2 ZINC001000584492 665047241 /nfs/dbraw/zinc/04/72/41/665047241.db2.gz FSFLEAWBRVPIGG-MQYQWHSLSA-N 1 0 381.929 2.748 20 0 GFADRO C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2cc(Cl)cs2)C1 ZINC001004360354 665064074 /nfs/dbraw/zinc/06/40/74/665064074.db2.gz LMOWUFGUVPBTND-MYPMTAMASA-N 1 0 381.929 2.605 20 0 GFADRO CC(C)(COc1ncccc1Br)[NH2+]Cc1cc(C(N)=O)cs1 ZINC000120481073 677396554 /nfs/dbraw/zinc/39/65/54/677396554.db2.gz MNMACSTZIOJUPM-UHFFFAOYSA-N 1 0 384.299 2.952 20 0 GFADRO C[C@H](NS(=O)(=O)c1cccnc1Cl)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000386366320 677407595 /nfs/dbraw/zinc/40/75/95/677407595.db2.gz RAIMLEKMBZIARO-GOEBONIOSA-N 1 0 379.913 2.924 20 0 GFADRO COc1cc(Br)ccc1[C@H](C)[NH2+][C@H]1CCN(C2CCOCC2)C1=O ZINC000469332144 677413219 /nfs/dbraw/zinc/41/32/19/677413219.db2.gz KNHNWUIPHAXNHQ-LRDDRELGSA-N 1 0 397.313 2.888 20 0 GFADRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)Nc1ccnn1-c1ccc(Br)cn1 ZINC000579223503 677673350 /nfs/dbraw/zinc/67/33/50/677673350.db2.gz PNJFCMSNKDZGDL-CYBMUJFWSA-N 1 0 393.289 2.588 20 0 GFADRO C[C@@H]1C[C@@H](C[NH2+]C[C@@H](O)COc2cc(F)cc(Br)c2)CCO1 ZINC000579582347 677673447 /nfs/dbraw/zinc/67/34/47/677673447.db2.gz WWUYVAQVESELAD-TYNCELHUSA-N 1 0 376.266 2.733 20 0 GFADRO C[C@@H]([NH2+][C@H](CO)C1CCOCC1)c1ccc(I)cc1 ZINC000580237306 677673912 /nfs/dbraw/zinc/67/39/12/677673912.db2.gz KDJUNMUJUSWSMP-IAQYHMDHSA-N 1 0 375.250 2.729 20 0 GFADRO CSC[C@H](CCO)[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000580311762 677674142 /nfs/dbraw/zinc/67/41/42/677674142.db2.gz PYZSYCSLCCAIRG-NWDGAFQWSA-N 1 0 398.750 2.546 20 0 GFADRO CCN(CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@@H]3[NH2+]CCO[C@H]3C2)n1 ZINC001164389897 718824384 /nfs/dbraw/zinc/82/43/84/718824384.db2.gz KRFVFIKWMMYACR-HOTGVXAUSA-N 1 0 389.569 2.717 20 0 GFADRO O=C1COC2(C1)CCN(C(F)(F)c1cnc(Cl)c(C3=CC[NH2+]CC3)c1)CC2 ZINC001164392840 718828199 /nfs/dbraw/zinc/82/81/99/718828199.db2.gz RPJZUTOVAUFOMT-UHFFFAOYSA-N 1 0 397.853 2.985 20 0 GFADRO OC[C@@]12C[NH2+]C[C@H]1CN(C(F)(F)Oc1ccc(-c3ccnc(Cl)c3)cc1)C2 ZINC001164409509 718852011 /nfs/dbraw/zinc/85/20/11/718852011.db2.gz VKUOKEZFRVHRPH-YJBOKZPZSA-N 1 0 395.837 2.845 20 0 GFADRO Cc1ccc(-c2cc(C(F)(F)N3C[C@@H]4C[NH2+]C[C@@]4(CO)C3)c(Cl)nn2)cc1 ZINC001164403155 718854856 /nfs/dbraw/zinc/85/48/56/718854856.db2.gz HQTLHCFHGOOOGV-KSSFIOAISA-N 1 0 394.853 2.668 20 0 GFADRO F[C@H](Oc1cccc(-c2ccc(Cl)nn2)c1)N1CCO[C@@H]2C[NH2+]CC[C@H]2C1 ZINC001164409894 718864813 /nfs/dbraw/zinc/86/48/13/718864813.db2.gz VFJLYMVLJDIZCN-YJLNNSPDSA-N 1 0 392.862 2.739 20 0 GFADRO FC(F)(c1cnc(Cl)c(C2CC2)c1)N1CCCO[C@]2(C[NH2+]CCOC2)C1 ZINC001164424110 718919800 /nfs/dbraw/zinc/91/98/00/718919800.db2.gz LIXQLAJNGIHVKZ-QGZVFWFLSA-N 1 0 387.858 2.743 20 0 GFADRO CCOC(=O)C1CC[NH+](C2CCN(c3ncnc4[nH]c(C)c(C)c43)CC2)CC1 ZINC001164617879 719027125 /nfs/dbraw/zinc/02/71/25/719027125.db2.gz QSRUCEWUUDWJSS-UHFFFAOYSA-N 1 0 385.512 2.819 20 0 GFADRO COC(=O)c1c[nH]c2ncnc(N3CCC[C@@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)c12 ZINC001164625078 719083484 /nfs/dbraw/zinc/08/34/84/719083484.db2.gz MQGBJDHUVNGPIR-AEFFLSMTSA-N 1 0 391.475 2.845 20 0 GFADRO CON(C)C(=O)c1ccnc(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC001164630410 719103320 /nfs/dbraw/zinc/10/33/20/719103320.db2.gz WDTQBMVXAUPXPD-UXHICEINSA-N 1 0 380.492 2.816 20 0 GFADRO COC(=O)c1ccc(C(F)(F)N2C[C@@H](CF)[C@H](C3([NH3+])CC3)C2)nc1Cl ZINC001164631600 719116933 /nfs/dbraw/zinc/11/69/33/719116933.db2.gz YRILKHGAIAILIN-MWLCHTKSSA-N 1 0 377.794 2.580 20 0 GFADRO CCOC(=O)c1cnc(C(F)(F)N2CC[NH+](CC(C)C)CC2)nc1Cl ZINC001164653165 719329458 /nfs/dbraw/zinc/32/94/58/719329458.db2.gz QSTCZKWMRUTZCV-UHFFFAOYSA-N 1 0 376.835 2.630 20 0 GFADRO COc1ccc(-c2nc3ccc(F)cc3c(N3C[C@H]4OCC[N@H+](C)[C@@H]4C3)n2)cc1 ZINC001164668178 719382765 /nfs/dbraw/zinc/38/27/65/719382765.db2.gz QRSCCGRXELBXKL-WOJBJXKFSA-N 1 0 394.450 2.964 20 0 GFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(Cl)nc3cc[nH]c31)C2 ZINC001164809235 720065597 /nfs/dbraw/zinc/06/55/97/720065597.db2.gz IZIVKKOBITXJNF-IFXJQAMLSA-N 1 0 375.904 2.796 20 0 GFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cc(C(=O)OC)c(Cl)cn1)C2 ZINC001164809205 720076325 /nfs/dbraw/zinc/07/63/25/720076325.db2.gz IYFIWZKQWCUCQO-MGPUTAFESA-N 1 0 393.915 2.706 20 0 GFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1c[nH]c3ncnc(Cl)c13)C2 ZINC001164811654 720080986 /nfs/dbraw/zinc/08/09/86/720080986.db2.gz OSWMUGRVBGHBLZ-IFXJQAMLSA-N 1 0 375.904 2.748 20 0 GFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc3ccccc3c(OC)n1)C2 ZINC001164815526 720129116 /nfs/dbraw/zinc/12/91/16/720129116.db2.gz WGKHBIYQAZQXMD-JTSKRJEESA-N 1 0 382.508 2.823 20 0 GFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc3nc[nH]c3cc1Cl)C2 ZINC001164809148 720133898 /nfs/dbraw/zinc/13/38/98/720133898.db2.gz HJYADWMLEWNUET-AUUYWEPGSA-N 1 0 375.904 2.796 20 0 GFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nccc(-c3cccnc3F)n1)C2 ZINC001164815907 720145631 /nfs/dbraw/zinc/14/56/31/720145631.db2.gz XICMPOZDHYGWSN-VGOFRKELSA-N 1 0 397.498 2.862 20 0 GFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ccnc(N3CCCCC3)n1)C2 ZINC001164817870 720162959 /nfs/dbraw/zinc/16/29/59/720162959.db2.gz QPYMZPDFQHDFJB-DENIHFKCSA-N 1 0 385.556 2.652 20 0 GFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cc(-c3ccncc3)ncn1)C2 ZINC001164817508 720174095 /nfs/dbraw/zinc/17/40/95/720174095.db2.gz PQFZSEQCDGTULY-UGKGYDQZSA-N 1 0 379.508 2.723 20 0 GFADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1nc(Cl)ncc1Cl)CCC2 ZINC001164811440 720210851 /nfs/dbraw/zinc/21/08/51/720210851.db2.gz HVKWGEBRDHRTCH-UHFFFAOYSA-N 1 0 397.310 2.591 20 0 GFADRO CSCc1ccc(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc1 ZINC001164821483 720346430 /nfs/dbraw/zinc/34/64/30/720346430.db2.gz AMESCJFEWFCLME-RBUKOAKNSA-N 1 0 388.581 2.856 20 0 GFADRO CCOc1ccc(C(=O)OC)c(N2CC[C@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)n1 ZINC001164725124 720397557 /nfs/dbraw/zinc/39/75/57/720397557.db2.gz MJAYNXSUCGCLBG-ROUUACIJSA-N 1 0 382.464 2.515 20 0 GFADRO CCOC(=O)c1cc2ccc(N3CC[C@@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)[nH]c-2n1 ZINC001164730883 720411725 /nfs/dbraw/zinc/41/17/25/720411725.db2.gz JHJRDLHCVCNUAB-RTBURBONSA-N 1 0 391.475 2.988 20 0 GFADRO CC(C)(C)NC(=O)c1ccnc(N2CC[C@@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)c1 ZINC001164725654 720415373 /nfs/dbraw/zinc/41/53/73/720415373.db2.gz AIBOSWGFBBJSJN-RTBURBONSA-N 1 0 379.508 2.858 20 0 GFADRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(c2nccnc2C2SCCCS2)C1 ZINC001164729220 720511534 /nfs/dbraw/zinc/51/15/34/720511534.db2.gz ISQLJQWAMMGRDJ-CQSZACIVSA-N 1 0 390.582 2.740 20 0 GFADRO CCOC(=O)c1cc2ccccc2nc1N1Cc2nccn2C[C@@H](C[NH+](C)C)C1 ZINC001164729479 720519299 /nfs/dbraw/zinc/51/92/99/720519299.db2.gz OOGCPSHYJJDMHP-MRXNPFEDSA-N 1 0 393.491 2.806 20 0 GFADRO Cc1nc2sc3c(c2c(N2Cc4nccn4C[C@@H](C[NH+](C)C)C2)n1)CCC3 ZINC001164734929 720523191 /nfs/dbraw/zinc/52/31/91/720523191.db2.gz TXKMWDAAVKHVMB-CQSZACIVSA-N 1 0 382.537 2.883 20 0 GFADRO COc1ccccc1-c1ccnc(N2Cc3nccn3C[C@@H](C[NH+](C)C)C2)n1 ZINC001164731761 720525742 /nfs/dbraw/zinc/52/57/42/720525742.db2.gz AGMRTSQEUIIUPX-MRXNPFEDSA-N 1 0 378.480 2.547 20 0 GFADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3nnc(Cl)cc3F)CC[C@@H]21 ZINC001164843037 720546526 /nfs/dbraw/zinc/54/65/26/720546526.db2.gz ZOOPJSVCZOJAGU-DZKIICNBSA-N 1 0 378.883 2.843 20 0 GFADRO FC(F)(c1cnc(Cl)cn1)N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001164733736 720552730 /nfs/dbraw/zinc/55/27/30/720552730.db2.gz QPFUFNADBOVPIC-UHFFFAOYSA-N 1 0 382.846 2.530 20 0 GFADRO Cc1cc2ncnc(N3CC[C@@H]4[C@H](C[C@H](Cn5cccn5)[N@H+]4C(C)C)C3)c2[nH]1 ZINC001164834045 720560314 /nfs/dbraw/zinc/56/03/14/720560314.db2.gz CJRPTKSGCJAXBZ-ZHALLVOQSA-N 1 0 379.512 2.841 20 0 GFADRO CCCN(CCC)c1cc(N2CCc3ncc(C[NH+]4CCCC4)n3CC2)ncn1 ZINC001164727173 720574540 /nfs/dbraw/zinc/57/45/40/720574540.db2.gz BWFUDDJTJZFHQM-UHFFFAOYSA-N 1 0 397.571 2.958 20 0 GFADRO CC(C)[N@H+]1[C@@H]2CCN(c3nccc(C(F)F)n3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164835553 720584854 /nfs/dbraw/zinc/58/48/54/720584854.db2.gz BEMRRJWAOVRSAF-YQQAZPJKSA-N 1 0 376.455 2.989 20 0 GFADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ccc(Cl)c[n+]3[O-])CC[C@@H]21 ZINC001164839669 720590670 /nfs/dbraw/zinc/59/06/70/720590670.db2.gz OABKBPWTOLKWHT-NJAFHUGGSA-N 1 0 375.904 2.548 20 0 GFADRO c1nc2n(c1C[NH+]1CCCC1)CCN(c1cncc(OCC3CCCC3)n1)CC2 ZINC001164740279 720593819 /nfs/dbraw/zinc/59/38/19/720593819.db2.gz IJOPCQHSWXKUDA-UHFFFAOYSA-N 1 0 396.539 2.901 20 0 GFADRO CN(C)c1nccnc1N1CCC2(C[C@H]([N@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164843332 720683328 /nfs/dbraw/zinc/68/33/28/720683328.db2.gz OBHZUDNROLHQKO-IBGZPJMESA-N 1 0 381.524 2.803 20 0 GFADRO Cc1nc(C2CCCCC2)cc(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)n1 ZINC001164737531 720748166 /nfs/dbraw/zinc/74/81/66/720748166.db2.gz CFANVAIVCBUVEB-OALUTQOASA-N 1 0 394.523 2.965 20 0 GFADRO COc1cc2ccnc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)c2cc1F ZINC001164745483 720802489 /nfs/dbraw/zinc/80/24/89/720802489.db2.gz KPOBWKYLJWTHAY-CVEARBPZSA-N 1 0 395.438 2.514 20 0 GFADRO CC(C)c1cc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)ncn1 ZINC001164740802 720823447 /nfs/dbraw/zinc/82/34/47/720823447.db2.gz LGQKQTNLWQYSFO-QWFCFKBJSA-N 1 0 381.528 2.571 20 0 GFADRO c1ncn(C[C@H]2C[C@@H]3CN(c4cc(C5CC5)ccn4)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164740026 720833670 /nfs/dbraw/zinc/83/36/70/720833670.db2.gz BOYGIKYPRYLGFE-NJDAHSKKSA-N 1 0 378.524 2.930 20 0 GFADRO COCC[N@@H+]1CCO[C@@H]2CN(C(F)(F)c3cc(C)nc(Cl)c3)CC[C@H]2C1 ZINC001164858294 720834763 /nfs/dbraw/zinc/83/47/63/720834763.db2.gz ZOWJIOLUWQICCB-GOEBONIOSA-N 1 0 389.874 2.762 20 0 GFADRO CC(C)(C)c1cc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)ncn1 ZINC001164746583 720847288 /nfs/dbraw/zinc/84/72/88/720847288.db2.gz OXZMLWMIFCZFNA-GBESFXJTSA-N 1 0 395.555 2.745 20 0 GFADRO COCC[N@@H+]1CCO[C@H]2CN(C(F)(F)c3cc(Cl)ncc3F)CC[C@@H]2C1 ZINC001164853010 720854172 /nfs/dbraw/zinc/85/41/72/720854172.db2.gz GAUXFEJCPUMIFW-DOMZBBRYSA-N 1 0 393.837 2.593 20 0 GFADRO COCC[N@@H+]1CCO[C@@H]2CN(c3nc(Cl)nc4cccc(C)c43)CC[C@@H]2C1 ZINC001164860254 720867043 /nfs/dbraw/zinc/86/70/43/720867043.db2.gz WCVFBXZNXGQZKJ-NVXWUHKLSA-N 1 0 390.915 2.765 20 0 GFADRO COCC[N@@H+]1CCO[C@@H]2CN(c3ccc(-c4cccc(C)c4)nn3)CC[C@@H]2C1 ZINC001164864511 720876731 /nfs/dbraw/zinc/87/67/31/720876731.db2.gz VYWNSYADBSVTRY-TZIWHRDSSA-N 1 0 382.508 2.626 20 0 GFADRO c1ncn2c1CN(c1ccc(C[NH+]3CCCC3)cn1)C[C@H](COCC1CC1)C2 ZINC001164756359 720979482 /nfs/dbraw/zinc/97/94/82/720979482.db2.gz HCFFDYDRPAJYCG-FQEVSTJZSA-N 1 0 381.524 2.937 20 0 GFADRO CC(C)[N@H+](C)Cc1cnc2n1CCN([C@H](F)Oc1cncc(Cl)n1)[C@@H]2C ZINC001164864376 721014754 /nfs/dbraw/zinc/01/47/54/721014754.db2.gz XMFVYSSIERYCRK-PXAZEXFGSA-N 1 0 382.871 2.875 20 0 GFADRO FC(F)(c1ccnc(Cl)n1)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164865888 721039458 /nfs/dbraw/zinc/03/94/58/721039458.db2.gz BHIVNTJRTUHFHB-GJZGRUSLSA-N 1 0 395.841 2.550 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4nnc(Cl)c5ccccc54)C[C@@H]3C2)cn1 ZINC001164765322 721085964 /nfs/dbraw/zinc/08/59/64/721085964.db2.gz IYTPONSRAFLKMS-CVEARBPZSA-N 1 0 382.899 2.975 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4nccc5c(Cl)ccnc54)C[C@H]3C2)cn1 ZINC001164772054 721088649 /nfs/dbraw/zinc/08/86/49/721088649.db2.gz SYZQUNPTPJBILX-HZPDHXFCSA-N 1 0 382.899 2.975 20 0 GFADRO Clc1nnc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)c2ncccc12 ZINC001164867493 721090097 /nfs/dbraw/zinc/09/00/97/721090097.db2.gz YNMGDSQOGCTJCB-CVEARBPZSA-N 1 0 396.882 2.553 20 0 GFADRO FC(F)(c1cnnc(Cl)c1)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164862761 721090468 /nfs/dbraw/zinc/09/04/68/721090468.db2.gz AETDZANSHNRGFM-HOTGVXAUSA-N 1 0 395.841 2.550 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4ncnc5ccc(Cl)cc54)C[C@@H]3C2)cn1 ZINC001164771266 721091772 /nfs/dbraw/zinc/09/17/72/721091772.db2.gz RXDBKVLJRVUZIZ-HOTGVXAUSA-N 1 0 382.899 2.975 20 0 GFADRO CCOc1cc(Cl)nc(N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)c1 ZINC001164772253 721122700 /nfs/dbraw/zinc/12/27/00/721122700.db2.gz UTOVTKCIVCNYGI-JKSUJKDBSA-N 1 0 375.904 2.826 20 0 GFADRO FC(F)(c1cncc(Cl)n1)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164865642 721123351 /nfs/dbraw/zinc/12/33/51/721123351.db2.gz NURXEWVOSGVMGH-CABCVRRESA-N 1 0 395.841 2.550 20 0 GFADRO Cc1cc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)nc(-c2ccco2)n1 ZINC001164881167 721161607 /nfs/dbraw/zinc/16/16/07/721161607.db2.gz ZLPOAOJTAQDBLH-RBUKOAKNSA-N 1 0 391.475 2.920 20 0 GFADRO CC(C)OC(=O)c1cccnc1N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164880744 721180264 /nfs/dbraw/zinc/18/02/64/721180264.db2.gz XLKLZQXXMXQKLB-RBUKOAKNSA-N 1 0 396.491 2.522 20 0 GFADRO COc1cccc2c1ccnc2N1C[C@H]2CC[N@H+](Cc3cnn(C)c3)C[C@@H]2C1 ZINC001164767015 721214318 /nfs/dbraw/zinc/21/43/18/721214318.db2.gz JYPWYBQSWHKUJB-QZTJIDSGSA-N 1 0 377.492 2.935 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4ccc(-c5ccsc5)nn4)C[C@@H]3C2)cn1 ZINC001164760092 721230717 /nfs/dbraw/zinc/23/07/17/721230717.db2.gz CEPKFVBIXPSHAC-WMZOPIPTSA-N 1 0 380.521 2.897 20 0 GFADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3ncnc(C)c3C)C2)C1 ZINC001164776401 721346562 /nfs/dbraw/zinc/34/65/62/721346562.db2.gz BBBNNXKGKUGCAA-OAQYLSRUSA-N 1 0 385.512 2.817 20 0 GFADRO CSCc1ccc(N2CC[C@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)nc1 ZINC001164894271 721442013 /nfs/dbraw/zinc/44/20/13/721442013.db2.gz LHJFIESVORNZCK-FPOVZHCZSA-N 1 0 390.597 2.710 20 0 GFADRO CCc1cnc(N2CCC3(C[C@H](COCC4CC4)[N@H+](CCOC)C3)CC2)nc1 ZINC001164786476 721450807 /nfs/dbraw/zinc/45/08/07/721450807.db2.gz MQNDKIZHBZBNLZ-HXUWFJFHSA-N 1 0 388.556 2.773 20 0 GFADRO C[NH+](C)Cc1ccnc(N2CCCC[C@]23CC(=O)N(Cc2cccnc2)C3)c1 ZINC001164896985 721475837 /nfs/dbraw/zinc/47/58/37/721475837.db2.gz YZNGWCPLVBBKPT-JOCHJYFZSA-N 1 0 379.508 2.700 20 0 GFADRO Fc1cccnc1OC[C@@]12COC[C@H]1CN(c1ncccc1C[NH+]1CCCC1)C2 ZINC001164793432 721488710 /nfs/dbraw/zinc/48/87/10/721488710.db2.gz SISQXGVMNDPECS-XMSQKQJNSA-N 1 0 398.482 2.743 20 0 GFADRO Fc1cccc(O[C@@H]2C[C@@H]3CN(c4ncnc5cnc(F)cc54)CC[N@@H+]3C2)c1 ZINC001164898153 721523520 /nfs/dbraw/zinc/52/35/20/721523520.db2.gz ICQINNDSESJJFB-GDBMZVCRSA-N 1 0 383.402 2.645 20 0 GFADRO Fc1cccc(O[C@H]2C[C@@H]3CN(c4nc(Cl)nc(Cl)n4)CC[N@@H+]3C2)c1 ZINC001164897913 721523546 /nfs/dbraw/zinc/52/35/46/721523546.db2.gz GQZJNRXQEVVQMW-YPMHNXCESA-N 1 0 384.242 2.659 20 0 GFADRO COc1c(Cl)nc(C)nc1N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164911275 721534393 /nfs/dbraw/zinc/53/43/93/721534393.db2.gz VWKPIWRQZHTNGO-ZBFHGGJFSA-N 1 0 392.862 2.928 20 0 GFADRO Fc1cccc(O[C@@H]2C[C@H]3CN(c4cc(OCC5CC5)ncn4)CC[N@@H+]3C2)c1 ZINC001164907778 721541003 /nfs/dbraw/zinc/54/10/03/721541003.db2.gz OKUZWPAJXXOXLZ-PKOBYXMFSA-N 1 0 384.455 2.746 20 0 GFADRO CCN(CC)c1cc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)ncn1 ZINC001164910961 721545310 /nfs/dbraw/zinc/54/53/10/721545310.db2.gz UVGYUGWNJRKVMA-HKUYNNGSSA-N 1 0 385.487 2.804 20 0 GFADRO COc1cnc2c(c1)ncnc2N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164902649 721548264 /nfs/dbraw/zinc/54/82/64/721548264.db2.gz ATKBNVVEQDOZGQ-YJBOKZPZSA-N 1 0 395.438 2.514 20 0 GFADRO CC(=O)Nc1c(C)ccnc1N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164909776 721549566 /nfs/dbraw/zinc/54/95/66/721549566.db2.gz RVDUMQRZDFOPMM-IEBWSBKVSA-N 1 0 384.455 2.829 20 0 GFADRO CC(C)COc1cncc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)n1 ZINC001164907566 721556062 /nfs/dbraw/zinc/55/60/62/721556062.db2.gz OMXIZSTZWLKYKK-HKUYNNGSSA-N 1 0 386.471 2.992 20 0 GFADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc(Cl)ncc3C(N)=O)C[C@@H]21 ZINC001165018675 721802394 /nfs/dbraw/zinc/80/23/94/721802394.db2.gz BVSBODJPDFWORQ-JCGIZDLHSA-N 1 0 399.926 2.966 20 0 GFADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc4c(cn3)NC(=O)C4)C[C@H]21 ZINC001165028108 721803832 /nfs/dbraw/zinc/80/38/32/721803832.db2.gz YILCIALGHDWHBT-XFQXTVEOSA-N 1 0 377.492 2.708 20 0 GFADRO COc1nc(Cl)nc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)n1 ZINC001165023928 721806688 /nfs/dbraw/zinc/80/66/88/721806688.db2.gz KBHKUHNWMRICSA-CWRNSKLLSA-N 1 0 388.903 2.666 20 0 GFADRO COCCOc1ccc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)nn1 ZINC001165027869 721825263 /nfs/dbraw/zinc/82/52/63/721825263.db2.gz UORZHMHFISZRPD-IHPCNDPISA-N 1 0 397.523 2.634 20 0 GFADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2cc(Cl)nc(N)n2)CC1 ZINC001165017053 721837463 /nfs/dbraw/zinc/83/74/63/721837463.db2.gz HGNLISSRNTXQDQ-UHFFFAOYSA-N 1 0 391.903 2.830 20 0 GFADRO c1ccc(N2CCN(c3cc(N4CC[NH+](C5CCCC5)CC4)ncn3)CC2)cc1 ZINC001165031650 721861115 /nfs/dbraw/zinc/86/11/15/721861115.db2.gz GVQRMDFMHWRFKD-UHFFFAOYSA-N 1 0 392.551 2.868 20 0 GFADRO CCOC(=O)c1cc(N2CC[C@@H]3[C@H]2CC[N@@H+]3CCN(C)C)nc2ccccc21 ZINC001164931802 721862115 /nfs/dbraw/zinc/86/21/15/721862115.db2.gz WFOZRMVKCUBIMU-WOJBJXKFSA-N 1 0 382.508 2.626 20 0 GFADRO CCOc1cc2ncnc(N3CC[C@H]4[C@@H]3CC[N@@H+]4CCN(C)C)c2cc1OCC ZINC001164926044 721863676 /nfs/dbraw/zinc/86/36/76/721863676.db2.gz QGYPOAAUIOUHCO-OALUTQOASA-N 1 0 399.539 2.642 20 0 GFADRO Cc1cc(OCc2ccccc2)nc(N2CC[C@H]3[C@@H]2CCN3CC[NH+](C)C)n1 ZINC001164934837 721886191 /nfs/dbraw/zinc/88/61/91/721886191.db2.gz UVVCYIWELLTQDS-PMACEKPBSA-N 1 0 381.524 2.579 20 0 GFADRO COC(=O)/C=C/c1ccc(NC(=O)C(C)(C)C)c(N2CCC[C@@H]([NH+](C)C)C2)n1 ZINC001165035818 721894033 /nfs/dbraw/zinc/89/40/33/721894033.db2.gz OYBJDDDBVQXFTQ-YBHKSSGVSA-N 1 0 388.512 2.783 20 0 GFADRO O=C1NCCN(Cc2ccccc2)C12CCN(c1cc3[nH]ccc3c[nH+]1)CC2 ZINC001164946881 721969691 /nfs/dbraw/zinc/96/96/91/721969691.db2.gz YGKHMFRBZCKZNG-UHFFFAOYSA-N 1 0 375.476 2.534 20 0 GFADRO NC(=O)c1ccc(Cl)nc1N1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001164952575 722018209 /nfs/dbraw/zinc/01/82/09/722018209.db2.gz NWBZEMSIDPQIKN-UHFFFAOYSA-N 1 0 385.899 2.721 20 0 GFADRO COc1ccc(Oc2cc(N3C[C@@H]4C[N@@H+](CC5CC5)C[C@H](C3)O4)nc(C)n2)cc1 ZINC001164968071 722076827 /nfs/dbraw/zinc/07/68/27/722076827.db2.gz PAYYVBSCGWFYBV-BGYRXZFFSA-N 1 0 396.491 2.885 20 0 GFADRO CCSc1cncc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164978931 722146385 /nfs/dbraw/zinc/14/63/85/722146385.db2.gz LBVJGSYIYPUVOV-QZTJIDSGSA-N 1 0 385.537 2.711 20 0 GFADRO Cc1cc(N2CCCn3cnc(COCC[NH+](C)C)c3C2)nc(C(C)(C)C)n1 ZINC001165004899 722257205 /nfs/dbraw/zinc/25/72/05/722257205.db2.gz WPHPKZXTVHBSJN-UHFFFAOYSA-N 1 0 386.544 2.768 20 0 GFADRO C[C@H]1OCC[C@@]1(O)C[NH2+]Cc1cc(Br)cc(Br)c1 ZINC000394617377 563529944 /nfs/dbraw/zinc/52/99/44/563529944.db2.gz JIHIRJNDLMGPGN-NOZJJQNGSA-N 1 0 379.092 2.841 20 0 GFADRO CCn1cc([C@@H]2NC(=O)CC[C@H]2[NH2+][C@@H](C)CC(=O)N2CCCCCC2)cn1 ZINC000328654729 206238322 /nfs/dbraw/zinc/23/83/22/206238322.db2.gz XSQWVMQBRWRBRC-VPWXQRGCSA-N 1 0 375.517 2.834 20 0 GFADRO COC(=O)COc1ccccc1[C@@H](C)[NH2+]CC(=O)N1CCc2sccc2C1 ZINC000359868639 206266066 /nfs/dbraw/zinc/26/60/66/206266066.db2.gz KVSPCKFMRZNYCR-CQSZACIVSA-N 1 0 388.489 2.535 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)N1CCCN(C(=O)c2ccco2)CC1)c1cccs1 ZINC000359933773 206270598 /nfs/dbraw/zinc/27/05/98/206270598.db2.gz GUTWMFMLSIRMRH-OAHLLOKOSA-N 1 0 390.509 2.502 20 0 GFADRO O=C(Nc1cccc(COCC2CC2)c1)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000359956366 206274347 /nfs/dbraw/zinc/27/43/47/206274347.db2.gz KMHZEVRUNBBPKM-FQEVSTJZSA-N 1 0 385.508 2.639 20 0 GFADRO CO[C@@H]1[C@H](C)[C@H](NC(=O)c2ccc(C[NH+]3CCC(CO)CC3)cc2)C12CCC2 ZINC000359995273 206277055 /nfs/dbraw/zinc/27/70/55/206277055.db2.gz CTPZAKBVKSDAER-TYCQWZJGSA-N 1 0 386.536 2.824 20 0 GFADRO CC[NH+](CC)Cc1ccccc1CNC(=O)c1cccc(NS(C)(=O)=O)c1 ZINC000021961048 207243322 /nfs/dbraw/zinc/24/33/22/207243322.db2.gz GBVIVYIFEIYVRP-UHFFFAOYSA-N 1 0 389.521 2.830 20 0 GFADRO COCCN1C(=O)C[C@@H](C[NH2+]Cc2cccc3cc[nH]c32)[C@@H]1c1cnn(C)c1C ZINC000275250679 523799030 /nfs/dbraw/zinc/79/90/30/523799030.db2.gz GOMGKWITVBNJRQ-PGRDOPGGSA-N 1 0 395.507 2.536 20 0 GFADRO O[C@]1(CC[NH2+]Cc2cc(Cl)ccc2I)CCOC1 ZINC000405321400 563538781 /nfs/dbraw/zinc/53/87/81/563538781.db2.gz ZKSWVCRFAPDQGJ-CYBMUJFWSA-N 1 0 381.641 2.576 20 0 GFADRO OC[C@@H]([NH2+]Cc1ccc(I)c(Cl)c1)[C@H]1CCCOC1 ZINC000411986964 563643566 /nfs/dbraw/zinc/64/35/66/563643566.db2.gz LLTBDMJISJMJDZ-SMDDNHRTSA-N 1 0 395.668 2.822 20 0 GFADRO OC[C@H]([NH2+]Cc1ccc(I)c(Cl)c1)C1CCOCC1 ZINC000436113171 563664024 /nfs/dbraw/zinc/66/40/24/563664024.db2.gz YHLVIWKJPCWTTK-AWEZNQCLSA-N 1 0 395.668 2.822 20 0 GFADRO C[C@@H](CNS(=O)(=O)c1ccc(F)c(Br)c1)C[NH+]1CCCCC1 ZINC000439253719 563721682 /nfs/dbraw/zinc/72/16/82/563721682.db2.gz SUUHNJBXBDCDKE-LBPRGKRZSA-N 1 0 393.322 2.989 20 0 GFADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)COc2ccc(Cl)cc2Cl)C1 ZINC000018188478 551113836 /nfs/dbraw/zinc/11/38/36/551113836.db2.gz JDJMXYNGZDIHLB-CQSZACIVSA-N 1 0 375.296 2.845 20 0 GFADRO O=C(NC1CC[NH+](C[C@@H](O)COc2ccc(Cl)cc2Cl)CC1)C1CC1 ZINC000030538917 551128063 /nfs/dbraw/zinc/12/80/63/551128063.db2.gz UQUGSDLYMREXOS-OAHLLOKOSA-N 1 0 387.307 2.724 20 0 GFADRO C[NH+](C)CCNC(=O)c1ccc(NC(=O)c2ccccc2Br)cc1 ZINC000031465661 551129575 /nfs/dbraw/zinc/12/95/75/551129575.db2.gz NUYKXAVGOIZMQV-UHFFFAOYSA-N 1 0 390.281 2.993 20 0 GFADRO C[NH+](C)CCN(C1CCCC1)S(=O)(=O)c1ccccc1Br ZINC000040692142 551134989 /nfs/dbraw/zinc/13/49/89/551134989.db2.gz VGEGEXNHBLCYRT-UHFFFAOYSA-N 1 0 375.332 2.944 20 0 GFADRO CC[NH+]1CCN(CCNC(=O)c2ccc(C3SCCCS3)cc2)CC1 ZINC000042591427 551139760 /nfs/dbraw/zinc/13/97/60/551139760.db2.gz QZUZLDYNRQDVSG-UHFFFAOYSA-N 1 0 379.595 2.923 20 0 GFADRO CN(C(=O)c1cnn(-c2ccc(Br)cc2)c1)C1CC[NH+](C)CC1 ZINC000044821037 551144818 /nfs/dbraw/zinc/14/48/18/551144818.db2.gz SUSWFFYWUUNNFW-UHFFFAOYSA-N 1 0 377.286 2.801 20 0 GFADRO CCOC(=O)Cc1csc(NC(=O)NC[C@H](c2cccs2)[NH+](C)C)n1 ZINC000045287543 551146626 /nfs/dbraw/zinc/14/66/26/551146626.db2.gz YZWKSDLIUMKVER-GFCCVEGCSA-N 1 0 382.511 2.735 20 0 GFADRO O=C(NCCC[NH+]1CCCC1)C(=O)Nc1ccc(Br)cc1Cl ZINC000049275859 551158581 /nfs/dbraw/zinc/15/85/81/551158581.db2.gz LVXZWHCBWKVTBY-UHFFFAOYSA-N 1 0 388.693 2.643 20 0 GFADRO CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccc(Br)cc2C)C1 ZINC000067393625 551188266 /nfs/dbraw/zinc/18/82/66/551188266.db2.gz NGTXQUSAOGECKK-ZDUSSCGKSA-N 1 0 382.302 2.544 20 0 GFADRO CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccc(C)c(Br)c2)C1 ZINC000067393811 551188388 /nfs/dbraw/zinc/18/83/88/551188388.db2.gz IVNFLVPJKNXDJT-ZDUSSCGKSA-N 1 0 382.302 2.544 20 0 GFADRO O=S(=O)(c1ccc(Cl)c(Br)c1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000440751591 563749787 /nfs/dbraw/zinc/74/97/87/563749787.db2.gz VVLUWSPDEQAFKL-SNVBAGLBSA-N 1 0 379.707 2.618 20 0 GFADRO C[C@@H](C(=O)NCCc1cccs1)N1CC[NH+](CCc2cccs2)CC1 ZINC000067458767 551188989 /nfs/dbraw/zinc/18/89/89/551188989.db2.gz RPDMUWZTNLZURB-INIZCTEOSA-N 1 0 377.579 2.717 20 0 GFADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)c2ccc(Br)c(F)c2)CC1 ZINC000067612535 551189965 /nfs/dbraw/zinc/18/99/65/551189965.db2.gz FNKSIKVFWSWEPZ-ZDUSSCGKSA-N 1 0 386.309 2.592 20 0 GFADRO O[C@@H](C[NH2+]Cc1cccc(Br)c1)COc1ccc2c(c1)OCO2 ZINC000067976043 551191006 /nfs/dbraw/zinc/19/10/06/551191006.db2.gz LEEZJNNNXNGEPK-AWEZNQCLSA-N 1 0 380.238 2.707 20 0 GFADRO C[C@@H](CC[NH+](C)C)NC(=O)NC[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000068591447 551192283 /nfs/dbraw/zinc/19/22/83/551192283.db2.gz MICAUUKMNGIBLN-GJZGRUSLSA-N 1 0 397.361 2.915 20 0 GFADRO COc1cc(C[N@H+](CCO)CC2CC2)cc(I)c1OC ZINC000092506183 551194386 /nfs/dbraw/zinc/19/43/86/551194386.db2.gz SXWXSOVQNCPQNS-UHFFFAOYSA-N 1 0 391.249 2.513 20 0 GFADRO CCCOc1c(Br)cc(C[N@H+](C)CC(C)(CO)CO)cc1OC ZINC000093502839 551194869 /nfs/dbraw/zinc/19/48/69/551194869.db2.gz WRUKIKYFJYFDKZ-UHFFFAOYSA-N 1 0 390.318 2.669 20 0 GFADRO O=C(CN1CCC[C@@H](C[NH+]2CCOCC2)C1)Nc1ccc(Cl)c(Cl)c1 ZINC000112201557 551204942 /nfs/dbraw/zinc/20/49/42/551204942.db2.gz ATPCSEBUGBOLDI-AWEZNQCLSA-N 1 0 386.323 2.976 20 0 GFADRO O=C(c1cc(=O)c2cc(Br)ccc2[nH]1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000112634184 551206858 /nfs/dbraw/zinc/20/68/58/551206858.db2.gz VCDWZRLGOWCNRM-ZDUSSCGKSA-N 1 0 390.281 2.601 20 0 GFADRO C[NH+](C)C1(CNC(=O)c2[nH]c3ccccc3c2Br)CCOCC1 ZINC000114157097 551209406 /nfs/dbraw/zinc/20/94/06/551209406.db2.gz WVVNXHXDMZIJKR-UHFFFAOYSA-N 1 0 380.286 2.771 20 0 GFADRO C[C@@H]1C[C@H](N(C)C(=O)Cc2cccc(I)c2)CC[N@@H+]1C ZINC000119133886 551215284 /nfs/dbraw/zinc/21/52/84/551215284.db2.gz JGKYNXOVQPOSBW-IUODEOHRSA-N 1 0 386.277 2.775 20 0 GFADRO COc1cc(Br)c(C[N@@H+]2CCC[C@@H](Cn3ccnn3)C2)cc1OC ZINC000119153278 551215545 /nfs/dbraw/zinc/21/55/45/551215545.db2.gz WAQZXDPXTFPDIC-CYBMUJFWSA-N 1 0 395.301 2.970 20 0 GFADRO Cc1cc(COc2ccc(C(=O)N[C@H]3CCC[NH2+]C3)cc2Br)no1 ZINC000120406140 551221092 /nfs/dbraw/zinc/22/10/92/551221092.db2.gz LRUBSITUTIKLGS-ZDUSSCGKSA-N 1 0 394.269 2.806 20 0 GFADRO Cc1cccc(NC(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c1Br ZINC000121153634 551228180 /nfs/dbraw/zinc/22/81/80/551228180.db2.gz DJHDRNAVLURDLG-ZFWWWQNUSA-N 1 0 394.313 2.639 20 0 GFADRO CC(=O)N[C@H](CC(=O)NCC[NH+]1CCCCC1)c1ccc(Br)cc1 ZINC000121594353 551237510 /nfs/dbraw/zinc/23/75/10/551237510.db2.gz OINCUMHHOTYJGC-QGZVFWFLSA-N 1 0 396.329 2.619 20 0 GFADRO C[C@H](CNC(=O)CCOc1ccc(Cl)cc1Cl)C[NH+]1CCN(C)CC1 ZINC000121760750 551241930 /nfs/dbraw/zinc/24/19/30/551241930.db2.gz NPBPZYPILAIZMM-CQSZACIVSA-N 1 0 388.339 2.762 20 0 GFADRO C[C@H](CNC(=O)c1ccc(Br)cc1Cl)C[NH+]1CCN(C)CC1 ZINC000121854510 551244403 /nfs/dbraw/zinc/24/44/03/551244403.db2.gz HNTNYTLXVFWEKZ-GFCCVEGCSA-N 1 0 388.737 2.716 20 0 GFADRO Cc1ccc(Br)c(NC(=O)C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)c1 ZINC000122070765 551294266 /nfs/dbraw/zinc/29/42/66/551294266.db2.gz QQXQNNUYYRPMCH-CJNGLKHVSA-N 1 0 394.313 2.639 20 0 GFADRO C[NH+](C)Cc1ccc(CNC(=O)C(=O)Nc2ccccc2Br)cc1 ZINC000122205406 551295762 /nfs/dbraw/zinc/29/57/62/551295762.db2.gz JMVHNEUNCSUROE-UHFFFAOYSA-N 1 0 390.281 2.766 20 0 GFADRO C[N@H+](CCN1C(=O)NC2(CCCC2)C1=O)Cc1ccc(Br)cc1 ZINC000122473033 551298363 /nfs/dbraw/zinc/29/83/63/551298363.db2.gz MXLYYNCCCMKHID-UHFFFAOYSA-N 1 0 380.286 2.746 20 0 GFADRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)[C@@H]1SCCc2sccc21 ZINC000122503704 551298702 /nfs/dbraw/zinc/29/87/02/551298702.db2.gz VUWNAMYYSQFLCS-SOLBZPMBSA-N 1 0 380.579 2.963 20 0 GFADRO CC1CC[NH+](CCSc2nnc(-c3cccs3)n2CCC(N)=O)CC1 ZINC000122758486 551301544 /nfs/dbraw/zinc/30/15/44/551301544.db2.gz URWXMLFOKXWHMH-UHFFFAOYSA-N 1 0 379.555 2.706 20 0 GFADRO C[NH+](C)C[C@H]1CCN(C(=O)c2cc(I)c(F)cc2F)C1 ZINC000123305019 551304981 /nfs/dbraw/zinc/30/49/81/551304981.db2.gz VEBYGJLEAWHOCX-SECBINFHSA-N 1 0 394.203 2.593 20 0 GFADRO Cc1cc(S(=O)(=O)N[C@H]2CC[NH2+]C3(CCC3)C2)sc1Br ZINC000123628162 551307876 /nfs/dbraw/zinc/30/78/76/551307876.db2.gz ISCFUJWUHJMLHO-JTQLQIEISA-N 1 0 379.345 2.772 20 0 GFADRO CN(CC[NH+]1CCCC1)C(=O)C(=O)Nc1ccc(Cl)cc1Br ZINC000124390732 551313731 /nfs/dbraw/zinc/31/37/31/551313731.db2.gz IINQTZHCEFXWFZ-UHFFFAOYSA-N 1 0 388.693 2.595 20 0 GFADRO C[C@@H](NC(=O)C[N@H+](C)CCCn1ccnc1)c1ccc(Br)cc1 ZINC000124430770 551314741 /nfs/dbraw/zinc/31/47/41/551314741.db2.gz BXCJRJKLJGYBEA-CQSZACIVSA-N 1 0 379.302 2.845 20 0 GFADRO O=C([C@H]1CCC[N@H+](Cc2cnc(-c3cccs3)s2)C1)N1CCOCC1 ZINC000124491109 551315454 /nfs/dbraw/zinc/31/54/54/551315454.db2.gz TUOGZGKOEHOCPD-AWEZNQCLSA-N 1 0 377.535 2.942 20 0 GFADRO O=C(c1cnccn1)N1CCC([NH2+]Cc2cc(Br)ccc2F)CC1 ZINC000124657491 551315982 /nfs/dbraw/zinc/31/59/82/551315982.db2.gz SHQAQVDVRIZPOS-UHFFFAOYSA-N 1 0 393.260 2.773 20 0 GFADRO CC[N@@H+]1CC[C@@H](CNC(=O)c2c(C)c3cc(Br)ccc3oc2=O)C1 ZINC000124702093 551316669 /nfs/dbraw/zinc/31/66/69/551316669.db2.gz DDXSMOWBWCZSBE-LBPRGKRZSA-N 1 0 393.281 2.936 20 0 GFADRO O=C(CC[N@@H+]1CCC[C@@H](N2CCCC2=O)C1)Nc1cccc(Br)c1 ZINC000124821252 551318047 /nfs/dbraw/zinc/31/80/47/551318047.db2.gz CQVNPAGYBGQHAC-MRXNPFEDSA-N 1 0 394.313 2.865 20 0 GFADRO C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]C[C@@]1(CCO)CCOC1 ZINC000125758259 551324026 /nfs/dbraw/zinc/32/40/26/551324026.db2.gz AMRBRPHKDAAPTP-SUMWQHHRSA-N 1 0 385.302 2.545 20 0 GFADRO Cn1cc(Br)cc1C(=O)NC1CC[NH+](CCc2ccncc2)CC1 ZINC000126838689 551333178 /nfs/dbraw/zinc/33/31/78/551333178.db2.gz NNDHSEHFXPFTNY-UHFFFAOYSA-N 1 0 391.313 2.620 20 0 GFADRO COc1ccc([C@H](C)[NH2+]C[C@H](O)COC2CCOCC2)cc1Br ZINC000127252204 551338679 /nfs/dbraw/zinc/33/86/79/551338679.db2.gz GSHXYJAEVZJBEL-JSGCOSHPSA-N 1 0 388.302 2.665 20 0 GFADRO COc1ccc(Br)cc1C(=O)CCC(=O)NCC1CC[NH+](C)CC1 ZINC000127546752 551342010 /nfs/dbraw/zinc/34/20/10/551342010.db2.gz YIUCSMIMCHBSKN-UHFFFAOYSA-N 1 0 397.313 2.879 20 0 GFADRO CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)C[C@H]1CC[NH2+]C1 ZINC000127765950 551344710 /nfs/dbraw/zinc/34/47/10/551344710.db2.gz UQPXVGORRCHZQD-SNVBAGLBSA-N 1 0 377.794 2.755 20 0 GFADRO Clc1ccc(N2CCN(Cc3cnc(N4CCOCC4)s3)CC2)cc1 ZINC000127785952 551345099 /nfs/dbraw/zinc/34/50/99/551345099.db2.gz JQDCPTHHMDAQER-UHFFFAOYSA-N 1 0 378.929 2.955 20 0 GFADRO C[C@@H](C(=O)NCCCC[N@@H+]1CCC[C@@H]1CO)c1ccc(Br)cc1 ZINC000128070265 551345897 /nfs/dbraw/zinc/34/58/97/551345897.db2.gz GLALZKIQWPZHIK-RHSMWYFYSA-N 1 0 383.330 2.906 20 0 GFADRO COc1cc([C@H](C)[NH2+]CCc2ccc(S(N)(=O)=O)cc2)ccc1SC ZINC000128062351 551346024 /nfs/dbraw/zinc/34/60/24/551346024.db2.gz YQSUZSRGFXPVFA-ZDUSSCGKSA-N 1 0 380.535 2.958 20 0 GFADRO Cc1ccc(Br)c(C(=O)N[C@@H](CC(C)C)C(=O)NCC[NH+](C)C)c1 ZINC000128097938 551346557 /nfs/dbraw/zinc/34/65/57/551346557.db2.gz ZECIKQMKUAZQGR-INIZCTEOSA-N 1 0 398.345 2.580 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)c1cc(F)c(F)cc1I)C1CC1 ZINC000128329879 551349084 /nfs/dbraw/zinc/34/90/84/551349084.db2.gz KRVNCTBKTJKMFB-CYBMUJFWSA-N 1 0 394.203 2.639 20 0 GFADRO O=C(NCCCC[N@H+]1CCC[C@H]1CO)c1c[nH]c2cccc(Br)c12 ZINC000128871552 551353122 /nfs/dbraw/zinc/35/31/22/551353122.db2.gz FJWRYEPDIMAWKF-ZDUSSCGKSA-N 1 0 394.313 2.897 20 0 GFADRO O=C(C[C@@H]1CC[NH2+]C1)N1CCC(C(=O)Nc2ccccc2Br)CC1 ZINC000129011450 551354402 /nfs/dbraw/zinc/35/44/02/551354402.db2.gz LKNCCQQOOPUWNK-ZDUSSCGKSA-N 1 0 394.313 2.626 20 0 GFADRO C[C@H](Cn1cc(Br)cn1)Nc1cccc(CN2CC[NH+](C)CC2)c1 ZINC000130290528 551362676 /nfs/dbraw/zinc/36/26/76/551362676.db2.gz UMMWESCWZKYYCV-OAHLLOKOSA-N 1 0 392.345 2.894 20 0 GFADRO COCCNS(=O)(=O)c1cccc(C[NH2+][C@@H]2CCCc3sccc32)c1 ZINC000130474803 551365156 /nfs/dbraw/zinc/36/51/56/551365156.db2.gz JVBOSRUWVHLXHV-QGZVFWFLSA-N 1 0 380.535 2.840 20 0 GFADRO C[NH+]1CCC(CCNS(=O)(=O)c2ccc(Br)cc2F)CC1 ZINC000134063624 551384797 /nfs/dbraw/zinc/38/47/97/551384797.db2.gz HHHQVCBIIOLMSH-UHFFFAOYSA-N 1 0 379.295 2.598 20 0 GFADRO C[C@H](NC(=O)NC[C@H]1CCC[N@@H+]1C)c1cc2c(cc1Br)OCCO2 ZINC000139764706 551392794 /nfs/dbraw/zinc/39/27/94/551392794.db2.gz DTTAKNCHFBRWOA-NWDGAFQWSA-N 1 0 398.301 2.675 20 0 GFADRO CC(C)[C@H]1CCC[N@@H+]1CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000140423027 551393124 /nfs/dbraw/zinc/39/31/24/551393124.db2.gz DXOZOXVAYPFVEL-OAHLLOKOSA-N 1 0 387.933 2.649 20 0 GFADRO COCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](CCOc2ccc(Br)cc2)C1 ZINC000144370598 551395811 /nfs/dbraw/zinc/39/58/11/551395811.db2.gz QWFVPGVFZQGFAJ-HUUCEWRRSA-N 1 0 399.329 2.691 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)[C@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1 ZINC000144237657 551395909 /nfs/dbraw/zinc/39/59/09/551395909.db2.gz IRLVZMNPSFTOKE-SMDDNHRTSA-N 1 0 382.291 2.699 20 0 GFADRO O=C(N[C@H]1CC[N@@H+](C2CC2)C1)[C@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1 ZINC000144238063 551396065 /nfs/dbraw/zinc/39/60/65/551396065.db2.gz IRLVZMNPSFTOKE-FZMZJTMJSA-N 1 0 382.291 2.699 20 0 GFADRO C[C@@H](CNC(=O)CNC(=O)c1ccc(Cl)cc1Cl)[N@@H+]1CCC[C@H](C)C1 ZINC000148579477 551398254 /nfs/dbraw/zinc/39/82/54/551398254.db2.gz VTOQJRSYXWCXQJ-STQMWFEESA-N 1 0 386.323 2.960 20 0 GFADRO COCC[NH+]1CCC(NC(=O)c2ccc(Br)c(Cl)c2)CC1 ZINC000150879243 551402882 /nfs/dbraw/zinc/40/28/82/551402882.db2.gz AFCHSZSTAQOARA-UHFFFAOYSA-N 1 0 375.694 2.943 20 0 GFADRO O=S(=O)(C1CC1)N1CCC([NH2+]Cc2ccc(F)c(Br)c2)CC1 ZINC000151268415 551410435 /nfs/dbraw/zinc/41/04/35/551410435.db2.gz FDXYFGHEWLXGJJ-UHFFFAOYSA-N 1 0 391.306 2.634 20 0 GFADRO O=S(=O)(C1CC1)N1CCC([NH2+]Cc2cc(C(F)(F)F)ccc2F)CC1 ZINC000151270632 551410453 /nfs/dbraw/zinc/41/04/53/551410453.db2.gz DTHXHXMFEMWFDI-UHFFFAOYSA-N 1 0 380.407 2.891 20 0 GFADRO CC(C)[C@@H](Sc1nnnn1CC[NH+](C)C)C(=O)Nc1ccccc1Cl ZINC000151659978 551419087 /nfs/dbraw/zinc/41/90/87/551419087.db2.gz AOSGYBAMJZWTFF-CQSZACIVSA-N 1 0 382.921 2.644 20 0 GFADRO CCS(=O)(=O)NCCC[NH2+]C(C)(C)Cc1ccc(Br)cc1 ZINC000151695997 551419487 /nfs/dbraw/zinc/41/94/87/551419487.db2.gz XLHLXEUCLYYLGS-UHFFFAOYSA-N 1 0 377.348 2.689 20 0 GFADRO C[NH+](C)C1CCN(S(=O)(=O)c2ccc(Br)c(Cl)c2)CC1 ZINC000151727948 551419969 /nfs/dbraw/zinc/41/99/69/551419969.db2.gz SYXJVRTVKPQKQH-UHFFFAOYSA-N 1 0 381.723 2.817 20 0 GFADRO CC(C)N(CC[NH+](C)C)C(=O)c1cc(I)c(F)cc1F ZINC000151786788 551420800 /nfs/dbraw/zinc/42/08/00/551420800.db2.gz PCBJPPAZUSZLDM-UHFFFAOYSA-N 1 0 396.219 2.982 20 0 GFADRO CNC(=O)CN1CCC([NH2+][C@H]2C[C@H](C)c3c2cccc3Br)CC1 ZINC000152003766 551424475 /nfs/dbraw/zinc/42/44/75/551424475.db2.gz BVBBRWWGYCLXLD-LRDDRELGSA-N 1 0 380.330 2.797 20 0 GFADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)Nc2ccc(Cl)cc2Cl)CC1 ZINC000152079950 551426003 /nfs/dbraw/zinc/42/60/03/551426003.db2.gz IOXKBELDHNCOIM-HNNXBMFYSA-N 1 0 385.295 2.764 20 0 GFADRO O=C(C[C@H]1CCC[NH2+]1)NCC1(c2cccc(Br)c2)CCOCC1 ZINC000152329808 551430992 /nfs/dbraw/zinc/43/09/92/551430992.db2.gz RAUCMVNYLICVOH-MRXNPFEDSA-N 1 0 381.314 2.756 20 0 GFADRO COC(=O)c1cccc(CC[NH2+][C@H](C(N)=O)c2cccc(Br)c2)c1 ZINC000152696256 551438298 /nfs/dbraw/zinc/43/82/98/551438298.db2.gz PFNIHRQGPRKFFU-INIZCTEOSA-N 1 0 391.265 2.594 20 0 GFADRO CCCOc1c(Br)cc(C[NH2+][C@@H]2CCN(C(C)=O)C2)cc1OC ZINC000152870169 551441726 /nfs/dbraw/zinc/44/17/26/551441726.db2.gz YAWHVRWAIHKWHS-CQSZACIVSA-N 1 0 385.302 2.957 20 0 GFADRO Cc1ccc(S(=O)(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)c(Br)c1 ZINC000152880319 551441958 /nfs/dbraw/zinc/44/19/58/551441958.db2.gz PZKRHLQTZZBJPW-HIFRSBDPSA-N 1 0 387.343 2.862 20 0 GFADRO O=C(CC1CC[NH2+]CC1)NC1(c2cccc(Br)c2)CCOCC1 ZINC000152901951 551442458 /nfs/dbraw/zinc/44/24/58/551442458.db2.gz GCFDKDMNXOJKFN-UHFFFAOYSA-N 1 0 381.314 2.961 20 0 GFADRO C[C@H](CC(=O)NC[C@H](O)COc1cccc(Cl)c1Cl)[C@@H]1CCC[NH2+]C1 ZINC000153261117 551449484 /nfs/dbraw/zinc/44/94/84/551449484.db2.gz MJYSSEVWKXRVKR-MCIONIFRSA-N 1 0 389.323 2.875 20 0 GFADRO CC[N@H+](CCNC(=O)C(=O)Nc1ccc(Br)c(Cl)c1)C(C)C ZINC000153262681 551449716 /nfs/dbraw/zinc/44/97/16/551449716.db2.gz AWRORWZVOUQPSB-UHFFFAOYSA-N 1 0 390.709 2.888 20 0 GFADRO C[C@H](C[NH2+][C@@H](C)c1ccc(I)cc1)CN1CCOCC1 ZINC000153310083 551450071 /nfs/dbraw/zinc/45/00/71/551450071.db2.gz PZTXFEYCWFJPNG-KGLIPLIRSA-N 1 0 388.293 2.910 20 0 GFADRO C[C@@H]1CN(C(=O)c2cc(Cl)ccc2I)C[C@@H](C)[NH2+]1 ZINC000153501643 551454393 /nfs/dbraw/zinc/45/43/93/551454393.db2.gz IASJBCFZAKWFCC-RKDXNWHRSA-N 1 0 378.641 2.767 20 0 GFADRO C[NH+](C)[C@H]1CCCN(S(=O)(=O)c2ccc(Br)c(Cl)c2)C1 ZINC000153609639 551456582 /nfs/dbraw/zinc/45/65/82/551456582.db2.gz GCDJQLADEOBGTN-JTQLQIEISA-N 1 0 381.723 2.817 20 0 GFADRO CCn1c(SCC(=O)N(C)[C@@H]2CCC[N@H+](C)C2)nnc1-c1cccs1 ZINC000153670175 551458173 /nfs/dbraw/zinc/45/81/73/551458173.db2.gz PVDBZVWFALVDGH-CYBMUJFWSA-N 1 0 379.555 2.671 20 0 GFADRO CN(C(=O)c1ccc(I)c(F)c1)[C@H]1CCC[N@H+](C)C1 ZINC000153925249 551463099 /nfs/dbraw/zinc/46/30/99/551463099.db2.gz NZWKHOXHNGBLCI-NSHDSACASA-N 1 0 376.213 2.597 20 0 GFADRO O=C(NCCCC[NH+]1CCOCC1)c1c[nH]c2cccc(Br)c21 ZINC000154453764 551475722 /nfs/dbraw/zinc/47/57/22/551475722.db2.gz IMFZVRALMQROIS-UHFFFAOYSA-N 1 0 380.286 2.773 20 0 GFADRO CC1CC[NH+](C[C@@H](O)CNC(=O)c2c[nH]c3cccc(Br)c23)CC1 ZINC000154511065 551476967 /nfs/dbraw/zinc/47/69/67/551476967.db2.gz UWQPQUJGHBMNGT-ZDUSSCGKSA-N 1 0 394.313 2.753 20 0 GFADRO CC[NH+]1CCN([C@@H](C)CNC(=O)c2ccc(Br)c(Cl)c2)CC1 ZINC000154635375 551479944 /nfs/dbraw/zinc/47/99/44/551479944.db2.gz CHPHINHBMIFXNH-LBPRGKRZSA-N 1 0 388.737 2.858 20 0 GFADRO C[NH+](C)C[C@H]1CCCCN1C(=O)Cc1cccc(I)c1 ZINC000154873575 551484624 /nfs/dbraw/zinc/48/46/24/551484624.db2.gz RGGSGDSJGKUNBE-OAHLLOKOSA-N 1 0 386.277 2.776 20 0 GFADRO CCOc1cc(Br)ccc1NC(=O)N[C@H](C)CN1CC[NH+](C)CC1 ZINC000154932959 551486302 /nfs/dbraw/zinc/48/63/02/551486302.db2.gz OKZINHVAKQJJEI-CYBMUJFWSA-N 1 0 399.333 2.605 20 0 GFADRO C[NH+](C)CC(C)(C)CNC(=O)c1cc(=O)[nH]c2ccc(Br)cc21 ZINC000155123912 551492096 /nfs/dbraw/zinc/49/20/96/551492096.db2.gz UMDSRHKHOYNKCA-UHFFFAOYSA-N 1 0 380.286 2.608 20 0 GFADRO O=C(NCC[NH+]1CCCCC1)C(=O)Nc1ccc(Cl)cc1Br ZINC000155156739 551493044 /nfs/dbraw/zinc/49/30/44/551493044.db2.gz KAPXTCKKFRHYCD-UHFFFAOYSA-N 1 0 388.693 2.643 20 0 GFADRO O=C(NC[C@H](O)c1cc(Cl)cc(Cl)c1)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC000155431228 551499183 /nfs/dbraw/zinc/49/91/83/551499183.db2.gz MOESOFZDWNQCMW-IRXDYDNUSA-N 1 0 387.307 2.786 20 0 GFADRO O=C(NC[C@@H](O)c1c(Cl)cccc1Cl)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC000155496964 551500794 /nfs/dbraw/zinc/50/07/94/551500794.db2.gz OGKOPHAXBWKYBM-JKSUJKDBSA-N 1 0 387.307 2.786 20 0 GFADRO Cc1ccc(C[NH2+]C[C@H](O)COc2ccc(I)cc2)cn1 ZINC000155720558 551506434 /nfs/dbraw/zinc/50/64/34/551506434.db2.gz JAXHWQCLQXAEOI-HNNXBMFYSA-N 1 0 398.244 2.524 20 0 GFADRO Cn1cc(NC(=O)c2ccc(C[NH+]3CCSCC3)cc2)cc(Cl)c1=O ZINC000156050703 551513600 /nfs/dbraw/zinc/51/36/00/551513600.db2.gz GOIFYLFFJPUGED-UHFFFAOYSA-N 1 0 377.897 2.840 20 0 GFADRO C[C@H](CCNC(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1)[S@](C)=O ZINC000156126018 551515533 /nfs/dbraw/zinc/51/55/33/551515533.db2.gz LJSITQDWCDRPRA-WHEFHEQHSA-N 1 0 385.599 2.977 20 0 GFADRO Cn1cc(NC(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)cc(Br)c1=O ZINC000156201031 551517010 /nfs/dbraw/zinc/51/70/10/551517010.db2.gz DMJZYRLGMNMJCT-CYBMUJFWSA-N 1 0 397.317 2.534 20 0 GFADRO C[C@@H]1CN(C[C@H](O)C[NH2+]C2(c3cccc(Br)c3)CCC2)C[C@@H](C)O1 ZINC000156226893 551517629 /nfs/dbraw/zinc/51/76/29/551517629.db2.gz KULJPHCAQOSVPB-IIDMSEBBSA-N 1 0 397.357 2.888 20 0 GFADRO O=S(=O)(c1ccc(Br)cc1Cl)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000156322351 551519745 /nfs/dbraw/zinc/51/97/45/551519745.db2.gz JMUNKLSBVAAXQM-MNOVXSKESA-N 1 0 379.707 2.618 20 0 GFADRO CC(=O)N1CC[C@@H](C[N@@H+](C)[C@@H](C)C(=O)Nc2ccccc2Br)C1 ZINC000156376496 551521849 /nfs/dbraw/zinc/52/18/49/551521849.db2.gz IZMCELHOILYVTQ-JSGCOSHPSA-N 1 0 382.302 2.576 20 0 GFADRO C[C@@H]1C[C@H]([NH2+]CCCNC(=O)c2ccc(Br)cc2)CN1C1CC1 ZINC000156416123 551522589 /nfs/dbraw/zinc/52/25/89/551522589.db2.gz IDQJBTKFUGLWEC-CJNGLKHVSA-N 1 0 380.330 2.784 20 0 GFADRO CCC[C@H]1CN(C(=O)Nc2nnc(C(F)(F)F)s2)CC[N@@H+]1CCOC ZINC000157062186 551532799 /nfs/dbraw/zinc/53/27/99/551532799.db2.gz SGGMBBJVMOJQNW-JTQLQIEISA-N 1 0 381.424 2.522 20 0 GFADRO [NH3+]C1CCN(C(=O)[C@H]2CCCN(C(=O)c3ccc(Cl)c(Cl)c3)C2)CC1 ZINC000157661195 551540774 /nfs/dbraw/zinc/54/07/74/551540774.db2.gz BRHRJOMFKZTSBW-ZDUSSCGKSA-N 1 0 384.307 2.795 20 0 GFADRO CN(CC[NH2+]Cc1ccc(OC(F)F)cc1)S(=O)(=O)c1cccs1 ZINC000158275721 551549584 /nfs/dbraw/zinc/54/95/84/551549584.db2.gz QHMINLVLWNIOJP-UHFFFAOYSA-N 1 0 376.450 2.760 20 0 GFADRO COc1ccc(Br)cc1C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000158949788 551558741 /nfs/dbraw/zinc/55/87/41/551558741.db2.gz GVKYXSOQUDXSRS-UHFFFAOYSA-N 1 0 376.254 2.815 20 0 GFADRO O=C(NCC[C@H]1CC[NH2+]C1)c1cc(Br)ccc1Br ZINC000160947968 551588200 /nfs/dbraw/zinc/58/82/00/551588200.db2.gz MOZJIAWUGSZUDR-SECBINFHSA-N 1 0 376.092 2.941 20 0 GFADRO COC[C@@H](NC(=O)C[N@H+](C)[C@@H]1CCSC1)c1cccc(C(F)(F)F)c1 ZINC000161866384 551599447 /nfs/dbraw/zinc/59/94/47/551599447.db2.gz AVSROKWGAGUVRE-HUUCEWRRSA-N 1 0 376.444 2.946 20 0 GFADRO Cc1cc(I)ccc1NC(=O)C[NH2+][C@H](CCO)C(C)C ZINC000161977326 551601603 /nfs/dbraw/zinc/60/16/03/551601603.db2.gz SLVSVEVHBRDGSI-CYBMUJFWSA-N 1 0 390.265 2.535 20 0 GFADRO CC1CC[NH+](CCNS(=O)(=O)c2ccc(Br)cc2F)CC1 ZINC000162009635 551602596 /nfs/dbraw/zinc/60/25/96/551602596.db2.gz BHNAGQRGZOURNG-UHFFFAOYSA-N 1 0 379.295 2.598 20 0 GFADRO O=S(=O)(Cc1ccon1)NCC[NH2+][C@@H]1CCSc2ccc(Cl)cc21 ZINC000162370999 551607368 /nfs/dbraw/zinc/60/73/68/551607368.db2.gz VTWJWXOIZYDHFY-CQSZACIVSA-N 1 0 387.914 2.574 20 0 GFADRO O=C(c1ccc(C[NH+]2CCSCC2)cc1)N1CCS[C@H]2COCC[C@@H]21 ZINC000162429194 551608631 /nfs/dbraw/zinc/60/86/31/551608631.db2.gz PLAGOVKTHHHSNO-ROUUACIJSA-N 1 0 378.563 2.582 20 0 GFADRO C[N@H+](CCO)C1CCN(C(=O)N[C@@H]2CCc3c2cccc3Br)CC1 ZINC000162848263 551613064 /nfs/dbraw/zinc/61/30/64/551613064.db2.gz WHKGRSZMHXMSPX-QGZVFWFLSA-N 1 0 396.329 2.535 20 0 GFADRO CCC[N@H+](CC)CCNC(=O)C(=O)Nc1cc(Cl)ccc1Br ZINC000163069550 551615538 /nfs/dbraw/zinc/61/55/38/551615538.db2.gz VXFJDMPHXHPACX-UHFFFAOYSA-N 1 0 390.709 2.889 20 0 GFADRO C[C@H]([NH3+])[C@H]1CN(C(=O)CCc2cc(Cl)ccc2Br)CCO1 ZINC000163099442 551616208 /nfs/dbraw/zinc/61/62/08/551616208.db2.gz KICRTEMWQDZFHR-IINYFYTJSA-N 1 0 375.694 2.610 20 0 GFADRO C[C@H](C(=O)N(C)CCCN1CC[NH+](C)CC1)c1ccc(Br)cc1 ZINC000163129875 551616792 /nfs/dbraw/zinc/61/67/92/551616792.db2.gz YRPJBLYVBOAZLG-HNNXBMFYSA-N 1 0 382.346 2.649 20 0 GFADRO CN(CC(C)(C)C[NH3+])C(=O)Nc1ccc(F)cc1I ZINC000415248081 563763748 /nfs/dbraw/zinc/76/37/48/563763748.db2.gz GHLSVLQNWDHNIY-UHFFFAOYSA-N 1 0 379.217 2.879 20 0 GFADRO CC[C@@H](CO)[NH+]1CCN(Cc2cc(Br)cc3cccnc32)CC1 ZINC000163867448 551622477 /nfs/dbraw/zinc/62/24/77/551622477.db2.gz LMRDMENRPNXBQV-KRWDZBQOSA-N 1 0 378.314 2.886 20 0 GFADRO C[C@H](CCNC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)[S@](C)=O ZINC000166623312 551632270 /nfs/dbraw/zinc/63/22/70/551632270.db2.gz AKBPTCIGOUSBEV-DLUDVSRJSA-N 1 0 385.961 2.761 20 0 GFADRO Cc1c(Br)cccc1NC(=O)C(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000170703161 551638082 /nfs/dbraw/zinc/63/80/82/551638082.db2.gz BQCGGYIKIRYCKS-GFCCVEGCSA-N 1 0 382.302 2.544 20 0 GFADRO CC[NH+]1CCN(CCC(=O)N[C@@H]2CCc3c2cccc3Br)CC1 ZINC000170809450 551640354 /nfs/dbraw/zinc/64/03/54/551640354.db2.gz USKUJJGJCABENR-QGZVFWFLSA-N 1 0 380.330 2.580 20 0 GFADRO CNC(=O)[C@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc(Br)cc1F ZINC000170910099 551643095 /nfs/dbraw/zinc/64/30/95/551643095.db2.gz OQXRRBSROIUYSQ-CQSZACIVSA-N 1 0 386.265 2.517 20 0 GFADRO C[C@H](CNC(=O)Nc1cccc(S(=O)(=O)C(F)F)c1)C[NH+]1CCCC1 ZINC000171272870 551651925 /nfs/dbraw/zinc/65/19/25/551651925.db2.gz UPPDEUSLPRBARS-GFCCVEGCSA-N 1 0 375.441 2.536 20 0 GFADRO COC[C@@H](O)C[NH+]1CCN(c2ccc(Br)cc2C(F)(F)F)CC1 ZINC000171972984 551667887 /nfs/dbraw/zinc/66/78/87/551667887.db2.gz NFUPFBPZILLMDX-LBPRGKRZSA-N 1 0 397.235 2.597 20 0 GFADRO O=C(CCc1ccccc1Br)N1CC[NH+](CC2CCOCC2)CC1 ZINC000172461902 551679880 /nfs/dbraw/zinc/67/98/80/551679880.db2.gz YFRNZPXULQGSGQ-UHFFFAOYSA-N 1 0 395.341 2.953 20 0 GFADRO CCn1cc(Br)cc1C(=O)Nc1cc(C(N)=O)ccc1C[NH+](C)C ZINC000172596836 551682987 /nfs/dbraw/zinc/68/29/87/551682987.db2.gz RBCQTPLKGCZSRN-UHFFFAOYSA-N 1 0 393.285 2.683 20 0 GFADRO CSCC[C@@H]1NC(=S)N(C[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)C1=O ZINC000172842539 551687681 /nfs/dbraw/zinc/68/76/81/551687681.db2.gz YAOKKNMDYURHBQ-KCQAQPDRSA-N 1 0 383.608 2.969 20 0 GFADRO COc1cc(I)ccc1NC(=O)N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000415773420 563795649 /nfs/dbraw/zinc/79/56/49/563795649.db2.gz MTZFZVCATXIZBA-KOLCDFICSA-N 1 0 389.237 2.501 20 0 GFADRO CN(CC1CC[NH+](C)CC1)S(=O)(=O)c1ccc(Br)c(F)c1 ZINC000173117162 552078149 /nfs/dbraw/zinc/07/81/49/552078149.db2.gz XZSDDCAWRCCHCZ-UHFFFAOYSA-N 1 0 379.295 2.551 20 0 GFADRO C[C@H](c1ccc(Cl)cc1)[N@H+](CCNS(=O)(=O)c1cnn(C)c1)C1CC1 ZINC000173236349 552080857 /nfs/dbraw/zinc/08/08/57/552080857.db2.gz BMOSBUCFFBXFQQ-CYBMUJFWSA-N 1 0 382.917 2.577 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2ccc(OC(F)(F)F)cc2)[C@H](C)C1 ZINC000173255584 552081194 /nfs/dbraw/zinc/08/11/94/552081194.db2.gz UBOBNDVVSQEQCZ-DOMZBBRYSA-N 1 0 380.432 2.936 20 0 GFADRO O=C(Nc1ccccc1Br)C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000173568288 552088569 /nfs/dbraw/zinc/08/85/69/552088569.db2.gz ZTSJPCDRZMLLBK-CQSZACIVSA-N 1 0 394.313 2.768 20 0 GFADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(Br)c(C)c2)C1 ZINC000173643903 552089841 /nfs/dbraw/zinc/08/98/41/552089841.db2.gz OATOWESZSFKNNB-AWEZNQCLSA-N 1 0 396.329 2.886 20 0 GFADRO CCN1CCN(C(=O)[C@@H](C)[NH2+][C@H](C)c2ccc(OC)c(Br)c2)CC1 ZINC000173654535 552090291 /nfs/dbraw/zinc/09/02/91/552090291.db2.gz VOFDTGRCKJWVLU-ZIAGYGMSSA-N 1 0 398.345 2.661 20 0 GFADRO Cc1ccc(Cl)cc1S(=O)(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000173853396 552094100 /nfs/dbraw/zinc/09/41/00/552094100.db2.gz FGSAHRMNYNVJGR-UHFFFAOYSA-N 1 0 386.945 2.914 20 0 GFADRO Cc1cc(N2CC[C@H]([NH2+][C@H](C)c3cccc(Br)c3)C2=O)n(C)n1 ZINC000173890500 552095361 /nfs/dbraw/zinc/09/53/61/552095361.db2.gz RPXIFTRYDLTZDG-DOMZBBRYSA-N 1 0 377.286 2.947 20 0 GFADRO CC(C)OCC[NH+]1CCN(C[C@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000173960756 552095994 /nfs/dbraw/zinc/09/59/94/552095994.db2.gz WETNKUDHLSIERX-INIZCTEOSA-N 1 0 391.339 2.776 20 0 GFADRO Brc1cc2c(cc1CN1CCC[C@H]1CN1CCOCC1)OCCO2 ZINC000174021037 552097097 /nfs/dbraw/zinc/09/70/97/552097097.db2.gz DLUZKTOVEJOIEI-HNNXBMFYSA-N 1 0 397.313 2.517 20 0 GFADRO CCc1cnc(CCNC(=O)NCC2([NH+]3CCSCC3)CCCC2)s1 ZINC000174015130 552097146 /nfs/dbraw/zinc/09/71/46/552097146.db2.gz IITPMFAJXDHCFD-UHFFFAOYSA-N 1 0 382.599 2.909 20 0 GFADRO CC[NH+](CC)CCSCC(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000174031536 552097741 /nfs/dbraw/zinc/09/77/41/552097741.db2.gz PTIOAZUEPTYLCH-UHFFFAOYSA-N 1 0 380.482 2.696 20 0 GFADRO COCCOC[C@H]1CC[N@@H+]([C@H](C)C(=O)Nc2cccc(Br)c2)C1 ZINC000174120403 552099722 /nfs/dbraw/zinc/09/97/22/552099722.db2.gz OFHBULZMSJAGBQ-KGLIPLIRSA-N 1 0 385.302 2.761 20 0 GFADRO CN1CCO[C@H](C(=O)N(CCC[NH+](C)C)Cc2ccc(Cl)c(Cl)c2)C1 ZINC000174762474 552109975 /nfs/dbraw/zinc/10/99/75/552109975.db2.gz SHVXDRFLXOKKSO-KRWDZBQOSA-N 1 0 388.339 2.604 20 0 GFADRO O=C(NCCC[NH+]1CCCCC1)c1cc(=O)[nH]c2c(Br)cccc12 ZINC000175057922 552114697 /nfs/dbraw/zinc/11/46/97/552114697.db2.gz RATJFTLRSQUEQA-UHFFFAOYSA-N 1 0 392.297 2.896 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000175099914 552115878 /nfs/dbraw/zinc/11/58/78/552115878.db2.gz ANOYYKIDQBYVFQ-UHFFFAOYSA-N 1 0 383.334 2.905 20 0 GFADRO C[NH+](C)C1CCN(CCNC(=O)Nc2ccc(Br)c(F)c2)CC1 ZINC000175432971 552121890 /nfs/dbraw/zinc/12/18/90/552121890.db2.gz XVDJNGZYQJSKRL-UHFFFAOYSA-N 1 0 387.297 2.736 20 0 GFADRO O[C@@H](COc1c(Cl)cccc1Cl)CN1CC[NH+](C2CCOCC2)CC1 ZINC000175492296 552123592 /nfs/dbraw/zinc/12/35/92/552123592.db2.gz ACDBVWBKQKTPBR-OAHLLOKOSA-N 1 0 389.323 2.530 20 0 GFADRO CN(Cc1ccc([S@@](C)=O)cc1)C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000175546000 552124592 /nfs/dbraw/zinc/12/45/92/552124592.db2.gz ZMKZBVGCEZASEV-IVCQMTBJSA-N 1 0 379.551 2.930 20 0 GFADRO C[C@H](C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1)c1ccc(Cl)s1 ZINC000175563463 552125022 /nfs/dbraw/zinc/12/50/22/552125022.db2.gz YLZHBKCMDCZWPU-ZDUSSCGKSA-N 1 0 378.929 2.968 20 0 GFADRO O=C(CCOc1ccccc1Br)N1CC[NH+](C2CCOCC2)CC1 ZINC000175862526 552130396 /nfs/dbraw/zinc/13/03/96/552130396.db2.gz YHWCCOMAMPCCBC-UHFFFAOYSA-N 1 0 397.313 2.541 20 0 GFADRO O=C([C@@H]1C[C@H]1c1cccc(Br)c1)N1CC[NH+](C2CCOCC2)CC1 ZINC000175863213 552130477 /nfs/dbraw/zinc/13/04/77/552130477.db2.gz RZZJCJPWOABDNR-ZWKOTPCHSA-N 1 0 393.325 2.876 20 0 GFADRO COC(=O)CNC(=O)CC[N@@H+]1CCC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000175932157 552132508 /nfs/dbraw/zinc/13/25/08/552132508.db2.gz PFJWIXQOFUEMCD-CYBMUJFWSA-N 1 0 389.279 2.516 20 0 GFADRO CCC[N@H+](CC)CCNC(=O)C(=O)Nc1c(C)cc(Br)cc1C ZINC000176215354 552136297 /nfs/dbraw/zinc/13/62/97/552136297.db2.gz PQZMANWSRTYXPE-UHFFFAOYSA-N 1 0 384.318 2.853 20 0 GFADRO C[N@@H+](Cc1ccc(Br)cc1)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000176624039 552142613 /nfs/dbraw/zinc/14/26/13/552142613.db2.gz NYVKQVNZADSAHF-AWEZNQCLSA-N 1 0 375.332 2.553 20 0 GFADRO C[C@H]1C[NH+](Cc2ccc(CNC(=O)[C@@H]3CSCCS3)cc2)C[C@H](C)O1 ZINC000176978524 552148460 /nfs/dbraw/zinc/14/84/60/552148460.db2.gz VIXVXGDHPSWRHV-MPGHIAIKSA-N 1 0 380.579 2.761 20 0 GFADRO C[C@@H]([NH2+]Cc1ccc([S@](C)=O)cc1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000177605712 552156015 /nfs/dbraw/zinc/15/60/15/552156015.db2.gz BNWMZGCUHJXAEZ-SHACYNPGSA-N 1 0 380.535 2.525 20 0 GFADRO CC(C)[N@H+]1[C@@H]2CC[C@H]1CCN(C(=O)Nc1cc(Br)cn(C)c1=O)C2 ZINC000177971633 552161642 /nfs/dbraw/zinc/16/16/42/552161642.db2.gz PFOMOGXYSJFKJR-UONOGXRCSA-N 1 0 397.317 2.627 20 0 GFADRO C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CCCC(=O)NC1CC1 ZINC000178102695 552164311 /nfs/dbraw/zinc/16/43/11/552164311.db2.gz BZDPSOFMSAHBEE-LBPRGKRZSA-N 1 0 382.302 2.815 20 0 GFADRO C[C@@H](Cn1cc(Br)cn1)[NH2+]C1CCN(Cc2ccncc2)CC1 ZINC000178232913 552167587 /nfs/dbraw/zinc/16/75/87/552167587.db2.gz BNFBGEUBAWTVGX-AWEZNQCLSA-N 1 0 378.318 2.683 20 0 GFADRO CSc1ccc(Cl)cc1NCC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000178335018 552168982 /nfs/dbraw/zinc/16/89/82/552168982.db2.gz MNISDRWIUYETJG-HNNXBMFYSA-N 1 0 385.961 2.947 20 0 GFADRO [NH3+]Cc1ccc(C(=O)NC2(c3ccc(Br)cc3)CCOCC2)o1 ZINC000178443113 552170397 /nfs/dbraw/zinc/17/03/97/552170397.db2.gz BARWELMMXQSNOJ-UHFFFAOYSA-N 1 0 379.254 2.937 20 0 GFADRO [NH3+]C[C@@H]1CCN(C(=O)Cc2csc(-c3cc(Br)cs3)n2)C1 ZINC000178565093 552172569 /nfs/dbraw/zinc/17/25/69/552172569.db2.gz YXLVNTKKPQLBFR-VIFPVBQESA-N 1 0 386.340 2.984 20 0 GFADRO C[NH+](C)C[C@@](C)(O)CNC(=O)c1cc(C(F)(F)F)ccc1Br ZINC000178723187 552174472 /nfs/dbraw/zinc/17/44/72/552174472.db2.gz YJDOQTJOLJYAET-ZDUSSCGKSA-N 1 0 383.208 2.510 20 0 GFADRO C[C@H]([NH3+])C1CCN(C(=O)c2ccc(I)c(F)c2)CC1 ZINC000178861468 552177527 /nfs/dbraw/zinc/17/75/27/552177527.db2.gz LELORAOJZKDBSI-VIFPVBQESA-N 1 0 376.213 2.630 20 0 GFADRO C[C@@H]([NH3+])C1CCN(C(=O)Cc2csc(NC(=O)c3cccs3)n2)CC1 ZINC000178866314 552177649 /nfs/dbraw/zinc/17/76/49/552177649.db2.gz NGKSMLCHMWMVPB-LLVKDONJSA-N 1 0 378.523 2.585 20 0 GFADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)Cc2cc(F)ccc2Br)C1 ZINC000178889224 552178933 /nfs/dbraw/zinc/17/89/33/552178933.db2.gz WHGXEHRFKDZFIA-OAHLLOKOSA-N 1 0 387.293 2.604 20 0 GFADRO CCOc1ccc(S(=O)(=O)N2CCC([C@@H](C)[NH3+])CC2)cc1Br ZINC000178926184 552179705 /nfs/dbraw/zinc/17/97/05/552179705.db2.gz DPTJGIPDLAEKKB-LLVKDONJSA-N 1 0 391.331 2.596 20 0 GFADRO CCCN(C(=O)C[C@@H](NC(C)=O)c1ccc(Br)cc1)[C@H]1CC[NH2+]C1 ZINC000178925696 552179826 /nfs/dbraw/zinc/17/98/26/552179826.db2.gz VWJZQELBMMHLLH-DLBZAZTESA-N 1 0 396.329 2.617 20 0 GFADRO C[NH2+]C[C@@H]1CCN(C(=O)c2cc(Br)sc2Br)C1 ZINC000179009737 552182170 /nfs/dbraw/zinc/18/21/70/552182170.db2.gz MYEQIOATQDHJOX-ZETCQYMHSA-N 1 0 382.121 2.955 20 0 GFADRO C[NH2+]C[C@@H]1CCN(C(=O)Cc2csc(COc3ccc(Cl)cc3)n2)C1 ZINC000179022364 552182405 /nfs/dbraw/zinc/18/24/05/552182405.db2.gz UDHOHLVZIUCWBV-ZDUSSCGKSA-N 1 0 379.913 2.986 20 0 GFADRO CN(C(=O)c1cccc(NC(=O)c2ccc(Br)o2)c1)[C@@H]1CC[NH2+]C1 ZINC000179058760 552183355 /nfs/dbraw/zinc/18/33/55/552183355.db2.gz KVYRUYTUONKKHT-CYBMUJFWSA-N 1 0 392.253 2.728 20 0 GFADRO CCOCCOc1ccc(Br)cc1/C=C/C(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000179092137 552183714 /nfs/dbraw/zinc/18/37/14/552183714.db2.gz ZYAZTPVNSOUTEH-IEXSPKMKSA-N 1 0 397.313 2.698 20 0 GFADRO Cc1ccc(C(=O)N2CC[NH+](CC3CCOCC3)CC2)c(Br)c1 ZINC000179105351 552184515 /nfs/dbraw/zinc/18/45/15/552184515.db2.gz FOTOWSYUAILPJY-UHFFFAOYSA-N 1 0 381.314 2.942 20 0 GFADRO Cc1cc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)c(C)s1 ZINC000179373001 552191272 /nfs/dbraw/zinc/19/12/72/552191272.db2.gz XAJVQTQGMDGGMN-VXGBXAGGSA-N 1 0 381.523 2.690 20 0 GFADRO CC(C)(O)C[NH+]1CCN(Cc2cnn(-c3ccc(Br)cc3)c2)CC1 ZINC000179358542 552191393 /nfs/dbraw/zinc/19/13/93/552191393.db2.gz OBRLHRLWDCBRPR-UHFFFAOYSA-N 1 0 393.329 2.523 20 0 GFADRO C[C@@](Cc1cccc(Br)c1)([NH2+]CC(=O)NC(N)=O)c1ccccc1 ZINC000179962764 552208054 /nfs/dbraw/zinc/20/80/54/552208054.db2.gz BFAWNLMFXZHHDT-SFHVURJKSA-N 1 0 390.281 2.692 20 0 GFADRO O=C(NCC[NH2+][C@H]1CCSc2ccc(Br)cc21)c1ccn[nH]1 ZINC000180209580 552218036 /nfs/dbraw/zinc/21/80/36/552218036.db2.gz CARSFSNOIXOBLS-LBPRGKRZSA-N 1 0 381.299 2.729 20 0 GFADRO C[C@@H](Cn1cc(Br)cn1)[NH2+]CCCNC(=O)c1cccc(F)c1 ZINC000180728096 552233869 /nfs/dbraw/zinc/23/38/69/552233869.db2.gz QRJWBEAZEHGXHB-LBPRGKRZSA-N 1 0 383.265 2.583 20 0 GFADRO Cc1nc(Cc2ccccc2)sc1[C@H](C)[NH2+]CCOCCS(C)(=O)=O ZINC000181148083 552248396 /nfs/dbraw/zinc/24/83/96/552248396.db2.gz PELSZGAYBPCISD-AWEZNQCLSA-N 1 0 382.551 2.754 20 0 GFADRO C[C@H]([NH2+]CC1(CS(C)(=O)=O)CC1)c1ccc(I)cc1 ZINC000181227285 552250642 /nfs/dbraw/zinc/25/06/42/552250642.db2.gz VMYFGUNZQKRDJJ-NSHDSACASA-N 1 0 393.290 2.767 20 0 GFADRO Cc1nc(Br)ccc1NC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000181337510 552253444 /nfs/dbraw/zinc/25/34/44/552253444.db2.gz ADFWYTQMNHZKPD-CYBMUJFWSA-N 1 0 397.317 2.775 20 0 GFADRO CN(CCS(=O)(=O)c1cccc(Br)c1)C[C@H]1CCCC[C@@H]1O ZINC000181468957 552257725 /nfs/dbraw/zinc/25/77/25/552257725.db2.gz LZONELGFCQWWCN-CJNGLKHVSA-N 1 0 390.343 2.706 20 0 GFADRO C[C@H]([NH2+]CC(=O)N1CCN(C(=O)C2CC2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000181521910 552259641 /nfs/dbraw/zinc/25/96/41/552259641.db2.gz UNOYBERVNWQRCR-LBPRGKRZSA-N 1 0 384.307 2.725 20 0 GFADRO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)Nc1ccc(NS(C)(=O)=O)c(Cl)c1 ZINC000181607662 552262456 /nfs/dbraw/zinc/26/24/56/552262456.db2.gz OIPQDCNHHLKIKN-HNNXBMFYSA-N 1 0 388.921 2.515 20 0 GFADRO Cc1ccc2c(c1)OCCC[C@H]2[NH2+]C[C@H](O)CS(=O)(=O)c1cccs1 ZINC000181639275 552263270 /nfs/dbraw/zinc/26/32/70/552263270.db2.gz XVRFIFIFPPNKIZ-GOEBONIOSA-N 1 0 381.519 2.695 20 0 GFADRO Cc1ccc(C[C@H]([NH2+]C[C@@H](O)CS(=O)(=O)c2cccs2)C2CC2)cc1 ZINC000181642280 552264100 /nfs/dbraw/zinc/26/41/00/552264100.db2.gz LCGGLTNJYAAUPW-MSOLQXFVSA-N 1 0 379.547 2.802 20 0 GFADRO C[C@H]([NH2+]C[C@H]1CCN(S(C)(=O)=O)C1)c1cc(Cl)ccc1OC(F)F ZINC000181682814 552265186 /nfs/dbraw/zinc/26/51/86/552265186.db2.gz YSWMGQCCYJSWAX-WDEREUQCSA-N 1 0 382.860 2.874 20 0 GFADRO C[C@@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH2+]C[C@@]1(O)CCOC1 ZINC000181729795 552266418 /nfs/dbraw/zinc/26/64/18/552266418.db2.gz FAGWTWALEGKXMK-BONVTDFDSA-N 1 0 380.794 2.817 20 0 GFADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)CCc1cc(F)ccc1Br ZINC000182383384 552282553 /nfs/dbraw/zinc/28/25/53/552282553.db2.gz CWYLKROEVDNSSL-HNNXBMFYSA-N 1 0 387.293 2.748 20 0 GFADRO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1cc(I)c[nH]1 ZINC000182535037 552287058 /nfs/dbraw/zinc/28/70/58/552287058.db2.gz FZATWVGSCNQYNK-GFCCVEGCSA-N 1 0 397.260 2.870 20 0 GFADRO CCS(=O)(=O)C[C@@H](C)[NH2+]C[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000182592228 552288535 /nfs/dbraw/zinc/28/85/35/552288535.db2.gz OXUIYOMYEVVRRL-KGLIPLIRSA-N 1 0 389.359 2.688 20 0 GFADRO CS(=O)(=O)[C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)COc1cccc(Cl)c1Cl ZINC000182608727 552289087 /nfs/dbraw/zinc/28/90/87/552289087.db2.gz RYGRNHQGWMBRLI-NJZAAPMLSA-N 1 0 396.336 2.679 20 0 GFADRO C[NH+](C)CC1CCC(NS(=O)(=O)c2ccc(OCC(F)F)cc2)CC1 ZINC000182768598 552292995 /nfs/dbraw/zinc/29/29/95/552292995.db2.gz CTOMIRCWCHRUJC-UHFFFAOYSA-N 1 0 376.469 2.729 20 0 GFADRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1cccc(Br)c1Cl ZINC000182841517 552294653 /nfs/dbraw/zinc/29/46/53/552294653.db2.gz BIZCJLNMHJCHGX-LLVKDONJSA-N 1 0 375.694 2.679 20 0 GFADRO CC[C@@H]([NH2+]CC(=O)Nc1cccc(Cl)c1)c1cccc(S(N)(=O)=O)c1 ZINC000183019609 552298631 /nfs/dbraw/zinc/29/86/31/552298631.db2.gz LABVRWAKCKUSQW-MRXNPFEDSA-N 1 0 381.885 2.667 20 0 GFADRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc(I)c1)[C@H]1CCCO1 ZINC000183105818 552300449 /nfs/dbraw/zinc/30/04/49/552300449.db2.gz KJDBWMPSCXBSNW-UHIISALHSA-N 1 0 388.249 2.775 20 0 GFADRO C[C@@H](CCNC(=O)c1cc(Br)cnc1N(C)C)[NH+]1CCCCC1 ZINC000183173682 552302193 /nfs/dbraw/zinc/30/21/93/552302193.db2.gz RVABWFPKONDKLY-ZDUSSCGKSA-N 1 0 383.334 2.904 20 0 GFADRO CCNC(=O)C(C)(C)C[NH2+][C@@H](C)CC(=O)Nc1cccc(Br)c1 ZINC000183205856 552303220 /nfs/dbraw/zinc/30/32/20/552303220.db2.gz UZVISXCPXGASAQ-LBPRGKRZSA-N 1 0 384.318 2.918 20 0 GFADRO CN(C)C(=O)[C@@H]1CC[C@H](C[NH2+][C@@H]2CCCOc3c(Br)cccc32)O1 ZINC000183469662 552310369 /nfs/dbraw/zinc/31/03/69/552310369.db2.gz CFDWUUYQNGGRKJ-WQVCFCJDSA-N 1 0 397.313 2.888 20 0 GFADRO COC(=O)c1cn(C2CC[NH+](Cc3cccc(Br)c3C)CC2)nn1 ZINC000183718900 552317327 /nfs/dbraw/zinc/31/73/27/552317327.db2.gz ASYLWLVCLBQTAQ-UHFFFAOYSA-N 1 0 393.285 2.973 20 0 GFADRO C[C@H]([C@H](C)[NH2+]Cc1cn(-c2ccc(Cl)c(Cl)c2)nn1)N1CCOCC1 ZINC000183736527 552318196 /nfs/dbraw/zinc/31/81/96/552318196.db2.gz KWDAWZCWLMFFKS-QWHCGFSZSA-N 1 0 384.311 2.773 20 0 GFADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)c1ccc(C(F)(F)F)nc1Cl ZINC000184071217 552326935 /nfs/dbraw/zinc/32/69/35/552326935.db2.gz ASIORZZOOLPARS-NSHDSACASA-N 1 0 378.826 2.510 20 0 GFADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)C(C)(C)c1cccc(Br)c1 ZINC000184366907 552333580 /nfs/dbraw/zinc/33/35/80/552333580.db2.gz LQNKRQRIGAVHKE-HNNXBMFYSA-N 1 0 396.373 2.869 20 0 GFADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)[C@H](C)c1ccc(Br)s1 ZINC000184350007 552333596 /nfs/dbraw/zinc/33/35/96/552333596.db2.gz IZDWXAXBMHUCOZ-QWHCGFSZSA-N 1 0 388.375 2.756 20 0 GFADRO CCN(C(=O)C[NH2+][C@@H](C)c1cc2ccccc2s1)[C@@H]1CCS(=O)(=O)C1 ZINC000184378071 552333982 /nfs/dbraw/zinc/33/39/82/552333982.db2.gz LGMVDWRVWMRXMS-DZGCQCFKSA-N 1 0 380.535 2.588 20 0 GFADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)c1cccc(Br)c1Cl ZINC000184379990 552334003 /nfs/dbraw/zinc/33/40/03/552334003.db2.gz ZNBGIKDUPHKKTJ-LBPRGKRZSA-N 1 0 388.737 2.858 20 0 GFADRO Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)[NH2+]CC(=O)N1CCNC1=O ZINC000184513187 552337716 /nfs/dbraw/zinc/33/77/16/552337716.db2.gz DMWXLKPLLWYESA-JTQLQIEISA-N 1 0 378.885 2.974 20 0 GFADRO CCOC(=O)C[C@H](NC(=O)C[N@H+](C)C(C)C)c1cccc(Br)c1 ZINC000184853393 552345730 /nfs/dbraw/zinc/34/57/30/552345730.db2.gz WCSKUMCKQFFJIC-HNNXBMFYSA-N 1 0 385.302 2.900 20 0 GFADRO Cc1ccc(-n2nc(Br)cc2C(=O)N2C[C@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC000184961332 552349402 /nfs/dbraw/zinc/34/94/02/552349402.db2.gz ZSBHAVUKRZKBKS-BPLDGKMQSA-N 1 0 389.297 2.753 20 0 GFADRO [NH3+][C@H]1CC[C@@H]2CN(C(=O)CCC[S@@](=O)c3ccc(Br)cc3)C[C@@H]12 ZINC000184979752 552350307 /nfs/dbraw/zinc/35/03/07/552350307.db2.gz FFVNWNCTSDODSY-OMENVMGJSA-N 1 0 399.354 2.533 20 0 GFADRO CC[NH+]1CCN(CCCNC(=O)CCc2ccc(C)cc2Br)CC1 ZINC000184990036 552350339 /nfs/dbraw/zinc/35/03/39/552350339.db2.gz WHYVRYWTIKGBJX-UHFFFAOYSA-N 1 0 396.373 2.834 20 0 GFADRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)c3ccc(I)cc3Cl)C[C@@H]12 ZINC000185097883 552354273 /nfs/dbraw/zinc/35/42/73/552354273.db2.gz MVLQWRRVQBACSS-XTWCZFFVSA-N 1 0 390.652 2.754 20 0 GFADRO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)N1C[C@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000185175455 552356293 /nfs/dbraw/zinc/35/62/93/552356293.db2.gz LMBXVYTXTWUEEN-HONMWMINSA-N 1 0 391.265 2.673 20 0 GFADRO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]C[C@@](C)(O)c2cccc(Cl)c2)cc1 ZINC000185308854 552360801 /nfs/dbraw/zinc/36/08/01/552360801.db2.gz RKEQVAZHAHAXCK-FZKQIMNGSA-N 1 0 382.913 2.806 20 0 GFADRO C[C@H]1C[NH+](CCCNC(=O)N2Cc3cccc(Br)c3C2)C[C@H](C)O1 ZINC000185510092 552364597 /nfs/dbraw/zinc/36/45/97/552364597.db2.gz NNQGFADAKWYOOE-KBPBESRZSA-N 1 0 396.329 2.974 20 0 GFADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1Cc2cccc(Br)c2C1 ZINC000185732568 552369633 /nfs/dbraw/zinc/36/96/33/552369633.db2.gz JWDWHVHPTWNSOU-CQSZACIVSA-N 1 0 382.302 2.585 20 0 GFADRO CN(C[C@H](O)C(F)(F)F)C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000185805683 552371249 /nfs/dbraw/zinc/37/12/49/552371249.db2.gz NGPDNMWXHYZAIF-AWEZNQCLSA-N 1 0 379.448 2.525 20 0 GFADRO CN(C[C@H](O)C(F)(F)F)C(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000186292027 552384035 /nfs/dbraw/zinc/38/40/35/552384035.db2.gz XAWCMQVRZLTCFJ-KWCYVHTRSA-N 1 0 379.448 2.696 20 0 GFADRO C[NH+](C)CCC1CCN(S(=O)(=O)c2cc(F)ccc2Br)CC1 ZINC000186309881 552385000 /nfs/dbraw/zinc/38/50/00/552385000.db2.gz GWGGQAUGBAGOHN-UHFFFAOYSA-N 1 0 393.322 2.941 20 0 GFADRO C[NH+](C)CCC1CCN(S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)CC1 ZINC000186310834 552385035 /nfs/dbraw/zinc/38/50/35/552385035.db2.gz YLLGNFCNNAKNRD-UHFFFAOYSA-N 1 0 386.386 2.735 20 0 GFADRO O=C(c1ccncc1)N1CCC([NH2+]Cc2cncc(Br)c2)CC1 ZINC000186597094 552391919 /nfs/dbraw/zinc/39/19/19/552391919.db2.gz AGMONRIZKBHANO-UHFFFAOYSA-N 1 0 375.270 2.634 20 0 GFADRO CN(CC[N@H+](C)C1CC1)C(=O)[C@@H]1CCN(c2cc(Cl)ccc2Cl)C1=O ZINC000186743983 552396257 /nfs/dbraw/zinc/39/62/57/552396257.db2.gz OBXPVDIIRAHRIN-AWEZNQCLSA-N 1 0 384.307 2.899 20 0 GFADRO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)CN(C)CC[N@H+](C)C1CC1 ZINC000186743368 552396275 /nfs/dbraw/zinc/39/62/75/552396275.db2.gz AZGRSHGAMMORBF-UHFFFAOYSA-N 1 0 388.295 2.745 20 0 GFADRO COc1c(Br)cccc1C[N@@H+]1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000186867462 552400083 /nfs/dbraw/zinc/40/00/83/552400083.db2.gz JPZRNNIIFOQNCD-OAHLLOKOSA-N 1 0 397.313 2.529 20 0 GFADRO C[C@@H](Oc1cccc(Br)c1)C(=O)N1CC[N@H+](CC(C)(C)O)C[C@@H]1C ZINC000186882258 552400611 /nfs/dbraw/zinc/40/06/11/552400611.db2.gz OMLDXUXIFZCYNY-UONOGXRCSA-N 1 0 399.329 2.520 20 0 GFADRO Cc1nn(-c2ccc(C(=O)N[C@@H]3C[NH2+]CC[C@H]3C)cc2)c(C)c1Br ZINC000186891471 552400634 /nfs/dbraw/zinc/40/06/34/552400634.db2.gz MMLYGEWXKIVNPJ-BDJLRTHQSA-N 1 0 391.313 2.979 20 0 GFADRO C[C@H](C(=O)N1CC[N@H+](CC(C)(C)O)C[C@@H]1C)c1ccc(Br)s1 ZINC000186941225 552402395 /nfs/dbraw/zinc/40/23/95/552402395.db2.gz PJQMGWRKOFBIAF-RYUDHWBXSA-N 1 0 389.359 2.918 20 0 GFADRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)c1ccc(C(F)(F)F)nc1Cl ZINC000186971180 552403088 /nfs/dbraw/zinc/40/30/88/552403088.db2.gz WFBMOQGFSRELDE-JTQLQIEISA-N 1 0 379.810 2.671 20 0 GFADRO C[C@H]([NH2+]C[C@H](O)COc1cccc(Cl)c1Cl)C1CCS(=O)(=O)CC1 ZINC000187064043 552405911 /nfs/dbraw/zinc/40/59/11/552405911.db2.gz QWCNTYZHHPNIDI-AAEUAGOBSA-N 1 0 396.336 2.536 20 0 GFADRO C[N@H+](CC(=O)Nc1ccc(Br)cc1Cl)CC1(O)CCOCC1 ZINC000187063032 552406007 /nfs/dbraw/zinc/40/60/07/552406007.db2.gz QWYBJIQABXPCRI-UHFFFAOYSA-N 1 0 391.693 2.514 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCCN(c2ccccc2Cl)C1=O)C1CCS(=O)(=O)CC1 ZINC000187247002 552410470 /nfs/dbraw/zinc/41/04/70/552410470.db2.gz CNIDBSYFKUYAPI-XJKSGUPXSA-N 1 0 384.929 2.638 20 0 GFADRO CC[C@H](CO)[NH+]1CCN(C(=O)Nc2cc(Br)c(C)cc2C)CC1 ZINC000187538739 552418293 /nfs/dbraw/zinc/41/82/93/552418293.db2.gz VOKKGBIAKQRUBK-CQSZACIVSA-N 1 0 384.318 2.986 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)N(C)CC[N@H+](C)C1CC1 ZINC000187730235 552423094 /nfs/dbraw/zinc/42/30/94/552423094.db2.gz FWPBZDSUFDWEGH-UHFFFAOYSA-N 1 0 382.302 2.557 20 0 GFADRO CCC[C@H]([NH2+]Cc1ccccc1S(=O)(=O)N(C)CCO)c1ccsc1 ZINC000187783749 552424421 /nfs/dbraw/zinc/42/44/21/552424421.db2.gz LEEWSCKSQUOWKM-KRWDZBQOSA-N 1 0 382.551 2.992 20 0 GFADRO CN(CC1([NH+](C)C)CCC1)C(=O)c1cc(Br)c2c(c1)OCCO2 ZINC000188005711 552431014 /nfs/dbraw/zinc/43/10/14/552431014.db2.gz UHPJDCCROMZBDK-UHFFFAOYSA-N 1 0 383.286 2.777 20 0 GFADRO Cc1cc(Br)cc(NC(=O)C(=O)NC[C@H](C)C[NH+]2CCCC2)c1 ZINC000188072907 552433473 /nfs/dbraw/zinc/43/34/73/552433473.db2.gz KSWANLLFULXOQW-ZDUSSCGKSA-N 1 0 382.302 2.544 20 0 GFADRO Cc1cc(Br)cc(NC(=O)C(=O)N2CCC(CC[NH+](C)C)CC2)c1 ZINC000188076419 552434211 /nfs/dbraw/zinc/43/42/11/552434211.db2.gz GRLIJTXIOSCWQE-UHFFFAOYSA-N 1 0 396.329 2.886 20 0 GFADRO CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2cc(Br)c(C)cc2C)C1 ZINC000188077615 552434216 /nfs/dbraw/zinc/43/42/16/552434216.db2.gz GALBRGHHNYQYHM-AWEZNQCLSA-N 1 0 396.329 2.853 20 0 GFADRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)Cc1ccc(F)cc1Br ZINC000188172103 552438158 /nfs/dbraw/zinc/43/81/58/552438158.db2.gz KVTVYTCXPOPNJP-HNNXBMFYSA-N 1 0 387.293 2.700 20 0 GFADRO O=C1CNC(=O)N1CCC[NH2+][C@@H](CC1CC1)c1cc(F)cc(Br)c1 ZINC000188192328 552438415 /nfs/dbraw/zinc/43/84/15/552438415.db2.gz XYFDSOJTBFYIDD-HNNXBMFYSA-N 1 0 398.276 2.961 20 0 GFADRO O=C1CNC(=O)N1CCC[NH2+][C@H](CC1CC1)c1cc(F)cc(Br)c1 ZINC000188192306 552438644 /nfs/dbraw/zinc/43/86/44/552438644.db2.gz XYFDSOJTBFYIDD-OAHLLOKOSA-N 1 0 398.276 2.961 20 0 GFADRO C[C@@H](Cn1cc(Br)cn1)[NH2+]CC1CCN(CC(F)(F)F)CC1 ZINC000188506402 552446737 /nfs/dbraw/zinc/44/67/37/552446737.db2.gz YVVZIQGSMPRNNQ-NSHDSACASA-N 1 0 383.256 2.898 20 0 GFADRO C[C@@H](Oc1ccccc1Br)C(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000188635094 552450912 /nfs/dbraw/zinc/45/09/12/552450912.db2.gz OXFIXVDYGJNFDL-ZIAGYGMSSA-N 1 0 399.329 2.520 20 0 GFADRO CC[C@@H](C)NC(=O)[C@H](C)[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000188712816 552453475 /nfs/dbraw/zinc/45/34/75/552453475.db2.gz YCMIQTQNIFCELX-KGLIPLIRSA-N 1 0 398.345 2.679 20 0 GFADRO Brc1ccc(C[NH2+][C@@H]2CCc3n[nH]cc3C2)c(N2CCOCC2)c1 ZINC000188740646 552453905 /nfs/dbraw/zinc/45/39/05/552453905.db2.gz BREZFUIUPVZOJV-MRXNPFEDSA-N 1 0 391.313 2.656 20 0 GFADRO O=C(c1nc(Br)cs1)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000188899999 552457833 /nfs/dbraw/zinc/45/78/33/552457833.db2.gz PSKOFAMVXOQIGQ-UHFFFAOYSA-N 1 0 388.331 2.623 20 0 GFADRO CCN(CCC[NH+](C)C)C(=O)C[C@H](NC(C)=O)c1ccc(Br)cc1 ZINC000188902277 552458149 /nfs/dbraw/zinc/45/81/49/552458149.db2.gz SJHLOQPPTACQGF-KRWDZBQOSA-N 1 0 398.345 2.817 20 0 GFADRO O=C(C1CC1)N1CCCN(C[C@H](O)c2ccc(F)c(Br)c2)CC1 ZINC000189275420 552467485 /nfs/dbraw/zinc/46/74/85/552467485.db2.gz NOYPEWOZOOWGGI-INIZCTEOSA-N 1 0 385.277 2.566 20 0 GFADRO CN(CC1([NH+](C)C)CCC1)C(=O)c1cc(=O)c2cc(Br)ccc2[nH]1 ZINC000189520827 552473804 /nfs/dbraw/zinc/47/38/04/552473804.db2.gz OAGVYCWNQLMVDP-UHFFFAOYSA-N 1 0 392.297 2.847 20 0 GFADRO O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)N1CC[NH+]2CCC1CC2 ZINC000189793542 552479886 /nfs/dbraw/zinc/47/98/86/552479886.db2.gz WELBPYJMLPXEQN-UHFFFAOYSA-N 1 0 375.778 2.604 20 0 GFADRO C[N@@H+]1CCC[C@H]2CN(C(=O)Nc3ccc(Cl)c(S(C)(=O)=O)c3)CC[C@@H]21 ZINC000189906301 552482820 /nfs/dbraw/zinc/48/28/20/552482820.db2.gz MDICIFPUPQWATK-WFASDCNBSA-N 1 0 385.917 2.692 20 0 GFADRO CCN(C[C@@H](O)C(F)(F)F)C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000189974447 552484261 /nfs/dbraw/zinc/48/42/61/552484261.db2.gz HVKPBGMRRCBABT-GXTWGEPZSA-N 1 0 379.448 2.840 20 0 GFADRO C[C@H]1CN(C(=O)Nc2ccc(F)cc2Br)CC[N@@H+]1CC(C)(C)O ZINC000190130556 552488199 /nfs/dbraw/zinc/48/81/99/552488199.db2.gz WZKANRCKKNLELC-NSHDSACASA-N 1 0 388.281 2.897 20 0 GFADRO CCCN(CCC[NH+](C)C)C(=O)C(=O)N1CCc2ccc(Br)cc21 ZINC000190151516 552488709 /nfs/dbraw/zinc/48/87/09/552488709.db2.gz LZUPXLCFEIFEED-UHFFFAOYSA-N 1 0 396.329 2.529 20 0 GFADRO CC[NH+]1CCN(CCCNC(=O)C2(c3ccccc3Br)CC2)CC1 ZINC000190225160 552490787 /nfs/dbraw/zinc/49/07/87/552490787.db2.gz DWVJESMDYHPIMN-UHFFFAOYSA-N 1 0 394.357 2.625 20 0 GFADRO COCCN(C)S(=O)(=O)[C@H]1CCC[N@H+](Cc2csc3ccccc23)C1 ZINC000190369380 552494134 /nfs/dbraw/zinc/49/41/34/552494134.db2.gz TYDODZJCGDPGIL-INIZCTEOSA-N 1 0 382.551 2.774 20 0 GFADRO C[C@@H]1CSCC[N@H+](CC(=O)Nc2ccc(I)cc2)C1 ZINC000190409483 552495485 /nfs/dbraw/zinc/49/54/85/552495485.db2.gz JSJFENDGUHOOHU-NSHDSACASA-N 1 0 390.290 2.915 20 0 GFADRO CCS(=O)(=O)N1CC(C[NH2+][C@@H](C)c2cc(Cl)ccc2OC(F)F)C1 ZINC000190678248 552505823 /nfs/dbraw/zinc/50/58/23/552505823.db2.gz AMQAZYXWDVOYDY-JTQLQIEISA-N 1 0 382.860 2.874 20 0 GFADRO O=C(Cc1ccc(I)cc1)NC1CC[NH+](CC2CC2)CC1 ZINC000190895105 552512977 /nfs/dbraw/zinc/51/29/77/552512977.db2.gz RGDFWRVSOKNXFJ-UHFFFAOYSA-N 1 0 398.288 2.824 20 0 GFADRO C[N@H+](CC(=O)Nc1ccc(Br)cc1Cl)C1(CO)CCOCC1 ZINC000191008205 552516337 /nfs/dbraw/zinc/51/63/37/552516337.db2.gz LMXILHYMJSDEKB-UHFFFAOYSA-N 1 0 391.693 2.514 20 0 GFADRO COc1cc(Cl)c(Cl)cc1NC(=O)N[C@H](C)CN1CC[NH+](C)CC1 ZINC000191267193 552523221 /nfs/dbraw/zinc/52/32/21/552523221.db2.gz KEIOPHBRXBCJMW-LLVKDONJSA-N 1 0 375.300 2.759 20 0 GFADRO CS(=O)(=O)N1CC[C@H](C[NH2+]Cc2cc(Br)c(Cl)s2)C1 ZINC000191473191 552529830 /nfs/dbraw/zinc/52/98/30/552529830.db2.gz PXDXGJCUTQWVDL-MRVPVSSYSA-N 1 0 387.752 2.535 20 0 GFADRO CCOC(=O)[C@H](C)[C@H](C)[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000191812430 552538788 /nfs/dbraw/zinc/53/87/88/552538788.db2.gz ZNIZJVKKWTVYBS-KGLIPLIRSA-N 1 0 399.329 2.963 20 0 GFADRO CCOC(=O)[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000191812386 552539071 /nfs/dbraw/zinc/53/90/71/552539071.db2.gz ZNIZJVKKWTVYBS-UONOGXRCSA-N 1 0 399.329 2.963 20 0 GFADRO C[C@@H](CNC(=O)C(=O)Nc1cccc(Cl)c1Br)[N@H+](C)C1CC1 ZINC000192033588 552546584 /nfs/dbraw/zinc/54/65/84/552546584.db2.gz LVPNZQATPAYHHW-VIFPVBQESA-N 1 0 388.693 2.640 20 0 GFADRO O=S(=O)(NCC[NH2+][C@@H]1CCO[C@H]1c1ccc(Cl)cc1)c1ccccc1 ZINC000192051941 552547764 /nfs/dbraw/zinc/54/77/64/552547764.db2.gz UJJSAQOIVQCVPZ-MSOLQXFVSA-N 1 0 380.897 2.738 20 0 GFADRO CC[N@H+](C)C[C@H]1CCN([C@@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000192074033 552549672 /nfs/dbraw/zinc/54/96/72/552549672.db2.gz SPWJRWMVGUNONQ-RHSMWYFYSA-N 1 0 380.330 2.828 20 0 GFADRO O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)c1cccc(Br)c1F ZINC000192125568 552551592 /nfs/dbraw/zinc/55/15/92/552551592.db2.gz QZYALEPEVXWNMX-LBPRGKRZSA-N 1 0 385.277 2.819 20 0 GFADRO C[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)c(Br)c2)[C@@H]1C[NH3+] ZINC000192389653 552561368 /nfs/dbraw/zinc/56/13/68/552561368.db2.gz BOWSVMMGCRIZOD-TVQRCGJNSA-N 1 0 381.723 2.850 20 0 GFADRO COC(=O)c1cccc(NC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)c1Br ZINC000192424639 552563100 /nfs/dbraw/zinc/56/31/00/552563100.db2.gz OIDGTUIFCZKRLT-GFCCVEGCSA-N 1 0 396.285 2.938 20 0 GFADRO C[C@H]([NH2+]CCN1CCOC[C@@H]1C)c1cc2c(cc1Br)OCCO2 ZINC000192780821 552973599 /nfs/dbraw/zinc/97/35/99/552973599.db2.gz ZCMZVVDVKFDGFB-STQMWFEESA-N 1 0 385.302 2.592 20 0 GFADRO C[NH+](C)CCC(=O)Nc1ccc(NC(=O)c2ncccc2Br)cc1 ZINC000192968062 552978946 /nfs/dbraw/zinc/97/89/46/552978946.db2.gz UNQYLSBHPPJBQD-UHFFFAOYSA-N 1 0 391.269 2.987 20 0 GFADRO CCCCN(C(=O)C[NH2+][C@H](C)c1cc(C)sc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000193132047 552984389 /nfs/dbraw/zinc/98/43/89/552984389.db2.gz YASSICNLRWBXHV-GDBMZVCRSA-N 1 0 386.583 2.831 20 0 GFADRO O=S(=O)(N[C@@H]1CCC[NH2+]C1)c1cc(Br)c(Cl)cc1Cl ZINC000193234511 552987307 /nfs/dbraw/zinc/98/73/07/552987307.db2.gz QUQNODBLKAHQOH-SSDOTTSWSA-N 1 0 388.114 2.786 20 0 GFADRO COc1ccc(Br)c(S(=O)(=O)NCc2ccc3c(c2)C[NH2+]C3)c1 ZINC000193431601 552993000 /nfs/dbraw/zinc/99/30/00/552993000.db2.gz BWFUVWZWHOAEAP-UHFFFAOYSA-N 1 0 397.294 2.539 20 0 GFADRO CC(C)(C)[NH+]1CCC(NC(=O)CNC(=O)c2cccc(Br)c2)CC1 ZINC000193446050 552993466 /nfs/dbraw/zinc/99/34/66/552993466.db2.gz QQTYHTLGLSVWGG-UHFFFAOYSA-N 1 0 396.329 2.558 20 0 GFADRO O=S(=O)(NCC[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCCC2)c1cccc(Cl)c1 ZINC000194006327 553009279 /nfs/dbraw/zinc/00/92/79/553009279.db2.gz QKIGFYUCFJQVKG-IXDOHACOSA-N 1 0 384.929 2.556 20 0 GFADRO O=C(NC1CC[NH+](CC2CC2)CC1)[C@@H]1Cc2cc(Br)ccc2O1 ZINC000194137218 553012793 /nfs/dbraw/zinc/01/27/93/553012793.db2.gz RVDUVSHDHWUPEF-KRWDZBQOSA-N 1 0 379.298 2.743 20 0 GFADRO Cc1c(Br)ccc(NC(=O)NCC2CC[NH+](CCO)CC2)c1F ZINC000194212762 553015010 /nfs/dbraw/zinc/01/50/10/553015010.db2.gz MRFSPELCDMPWAC-UHFFFAOYSA-N 1 0 388.281 2.722 20 0 GFADRO CCC[NH+]1CCC(CNC(=O)[C@@H]2Cc3cc(Br)ccc3O2)CC1 ZINC000194212801 553015100 /nfs/dbraw/zinc/01/51/00/553015100.db2.gz OYHQULQEFHZETO-KRWDZBQOSA-N 1 0 381.314 2.991 20 0 GFADRO COc1cc(C[NH2+]CC2CCN(S(=O)(=O)C(F)(F)F)CC2)ccc1C ZINC000194308007 553016982 /nfs/dbraw/zinc/01/69/82/553016982.db2.gz VNLMWWMEOIEZPK-UHFFFAOYSA-N 1 0 380.432 2.655 20 0 GFADRO COc1cccc2c1CCC[C@H]2[NH2+]C[C@H](O)CS(=O)(=O)c1cccs1 ZINC000194936431 553034008 /nfs/dbraw/zinc/03/40/08/553034008.db2.gz FJRBPIMXGUTFGF-XJKSGUPXSA-N 1 0 381.519 2.559 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CN(C)CCN1C[C@@H](C)O[C@@H](C)C1 ZINC000195318215 553044939 /nfs/dbraw/zinc/04/49/39/553044939.db2.gz BAFYGHZAKUQNFD-GASCZTMLSA-N 1 0 398.345 2.737 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000195609010 553051234 /nfs/dbraw/zinc/05/12/34/553051234.db2.gz XWPOKVXOLSAQKV-KBPBESRZSA-N 1 0 384.307 2.947 20 0 GFADRO Cc1cccc(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)c1I ZINC000223499575 553056107 /nfs/dbraw/zinc/05/61/07/553056107.db2.gz OPVMSXLMTCYXGW-GFCCVEGCSA-N 1 0 384.261 2.814 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)c2ccc(F)cc2I)C1 ZINC000226265730 553061559 /nfs/dbraw/zinc/06/15/59/553061559.db2.gz HMFADQRGDOIFLH-VHSXEESVSA-N 1 0 376.213 2.630 20 0 GFADRO Cc1cc(S(=O)(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)sc1Br ZINC000227401845 553062653 /nfs/dbraw/zinc/06/26/53/553062653.db2.gz DNUHCFDUVBAMPK-QWRGUYRKSA-N 1 0 379.345 2.724 20 0 GFADRO Cc1cc(S(=O)(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)sc1Br ZINC000227401834 553062871 /nfs/dbraw/zinc/06/28/71/553062871.db2.gz DNUHCFDUVBAMPK-MNOVXSKESA-N 1 0 379.345 2.724 20 0 GFADRO CC[NH+]1CCC(N(C)S(=O)(=O)c2ccc(Br)c(F)c2)CC1 ZINC000230592475 553064986 /nfs/dbraw/zinc/06/49/86/553064986.db2.gz QRQWXMYZJUYYHM-UHFFFAOYSA-N 1 0 379.295 2.693 20 0 GFADRO C[C@H]1C[C@@H](NS(=O)(=O)c2ccc(Cl)c(Br)c2)CC[N@@H+]1C ZINC000235720354 553068503 /nfs/dbraw/zinc/06/85/03/553068503.db2.gz QGGMZGKRDMRBJM-UWVGGRQHSA-N 1 0 381.723 2.864 20 0 GFADRO CCC(CC)(C[NH3+])NS(=O)(=O)c1cc(Cl)c(OC)cc1Br ZINC000236818917 553071675 /nfs/dbraw/zinc/07/16/75/553071675.db2.gz ORZJZJPXJGKRIE-UHFFFAOYSA-N 1 0 399.738 2.907 20 0 GFADRO CCC([NH3+])(CC)CNS(=O)(=O)c1cc(Cl)c(OC)cc1Br ZINC000236850261 553072130 /nfs/dbraw/zinc/07/21/30/553072130.db2.gz VYRIYXCFJLINDI-UHFFFAOYSA-N 1 0 399.738 2.907 20 0 GFADRO CCOc1cc(Br)ccc1NC(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC000237031492 553073468 /nfs/dbraw/zinc/07/34/68/553073468.db2.gz TWJARFAASKOBDJ-UHFFFAOYSA-N 1 0 394.273 2.616 20 0 GFADRO C[NH2+]C[C@H](C)C(=O)Nc1ccc(Br)c(I)c1 ZINC000237063054 553074219 /nfs/dbraw/zinc/07/42/19/553074219.db2.gz GOVXAIVRAITQDG-ZETCQYMHSA-N 1 0 397.054 2.848 20 0 GFADRO COc1ccc(C(=O)N2CCCC[C@@H]2[C@@H](C)[NH3+])c(I)c1 ZINC000237350103 553077272 /nfs/dbraw/zinc/07/72/72/553077272.db2.gz VSTADDZQZWFIFP-QMTHXVAHSA-N 1 0 388.249 2.642 20 0 GFADRO C[C@@H](CC(=O)NCc1cn2cc(Br)ccc2n1)[C@H]1CCC[NH2+]C1 ZINC000237495455 553078523 /nfs/dbraw/zinc/07/85/23/553078523.db2.gz ROVIBSYZJHHDQJ-STQMWFEESA-N 1 0 379.302 2.739 20 0 GFADRO C[C@@H]1CN(C(=O)CCc2nc(-c3cc(Br)cs3)no2)[C@@H](C)C[NH2+]1 ZINC000237572334 553079230 /nfs/dbraw/zinc/07/92/30/553079230.db2.gz OOBDYJGVASOVCA-ZJUUUORDSA-N 1 0 399.314 2.702 20 0 GFADRO Cc1nc(CCC(=O)N2CC[NH2+]CC2)oc1-c1ccc(Br)cc1 ZINC000237624285 553079921 /nfs/dbraw/zinc/07/99/21/553079921.db2.gz YJVGTUBUAOBZET-UHFFFAOYSA-N 1 0 378.270 2.777 20 0 GFADRO Cc1nn(-c2ccc(C(=O)NC[C@@H]3CCC[NH2+]C3)cc2)c(C)c1Br ZINC000237665424 553080403 /nfs/dbraw/zinc/08/04/03/553080403.db2.gz VKRIRLYBOAEGNZ-CQSZACIVSA-N 1 0 391.313 2.981 20 0 GFADRO Cc1cc(NC(=O)CNC(=O)CCC2CC[NH2+]CC2)ccc1Br ZINC000237704750 553080619 /nfs/dbraw/zinc/08/06/19/553080619.db2.gz KZNRNJZDFFZJLG-UHFFFAOYSA-N 1 0 382.302 2.592 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)c1ccc(C[NH3+])o1 ZINC000237787768 553081636 /nfs/dbraw/zinc/08/16/36/553081636.db2.gz KLJDVGFKCJMZFI-UHFFFAOYSA-N 1 0 380.242 2.568 20 0 GFADRO Cc1c(C(=O)NC2(C[NH3+])CCCC2)cnn1-c1cccc(Br)c1 ZINC000237772434 553081897 /nfs/dbraw/zinc/08/18/97/553081897.db2.gz XTPCAGIUYIAICA-UHFFFAOYSA-N 1 0 377.286 2.945 20 0 GFADRO Cc1c(C(=O)N[C@@H]2CCC[C@@H]2C[NH3+])cnn1-c1cccc(Br)c1 ZINC000237831609 553082803 /nfs/dbraw/zinc/08/28/03/553082803.db2.gz CPUMWUDDVJFUIK-MLGOLLRUSA-N 1 0 377.286 2.800 20 0 GFADRO O=C(NC[C@H]1CCCN(C(=O)c2c(Cl)cccc2Cl)C1)[C@@H]1CCC[NH2+]1 ZINC000237837436 553082809 /nfs/dbraw/zinc/08/28/09/553082809.db2.gz AZFYRCINFUPORH-DOMZBBRYSA-N 1 0 384.307 2.714 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H](C(=O)N2CCN(C(=O)c3cccc(Cl)c3Cl)CC2)C1 ZINC000237861854 553083198 /nfs/dbraw/zinc/08/31/98/553083198.db2.gz LBBNZUURMWMEJL-CHWSQXEVSA-N 1 0 384.307 2.795 20 0 GFADRO O=C(CC1CC[NH2+]CC1)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000237863091 553083433 /nfs/dbraw/zinc/08/34/33/553083433.db2.gz GZDCDXZWTPCMDE-UHFFFAOYSA-N 1 0 384.307 2.668 20 0 GFADRO [NH3+][C@@H]1CCN(C(=O)c2cnn(-c3ncc(Cl)cc3Cl)c2C(F)(F)F)C1 ZINC000237930615 553084181 /nfs/dbraw/zinc/08/41/81/553084181.db2.gz AIKSQOHIAXVLBP-MRVPVSSYSA-N 1 0 394.184 2.766 20 0 GFADRO [NH3+]C[C@H]1CCCC[C@H]1NC(=O)c1ccn(-c2cccc(Br)c2)n1 ZINC000238022136 553085302 /nfs/dbraw/zinc/08/53/02/553085302.db2.gz IMUIFYYUYFBASV-IUODEOHRSA-N 1 0 377.286 2.882 20 0 GFADRO [NH3+]C[C@@H]1CCCN(C(=O)[C@H]2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)C1 ZINC000238078191 553085830 /nfs/dbraw/zinc/08/58/30/553085830.db2.gz AGCNTRDNPIAGSD-BLLLJJGKSA-N 1 0 384.307 2.795 20 0 GFADRO [NH3+]C[C@@H]1CCCN(C(=O)[C@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)C1 ZINC000238078217 553085854 /nfs/dbraw/zinc/08/58/54/553085854.db2.gz LHONAZIXYKWPFI-BLLLJJGKSA-N 1 0 384.307 2.795 20 0 GFADRO C[C@H](C(=O)N(C)CC(=O)Nc1ccc(Br)cn1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000245398762 553089510 /nfs/dbraw/zinc/08/95/10/553089510.db2.gz ULRHAIQFJAACMQ-FRRDWIJNSA-N 1 0 397.317 2.502 20 0 GFADRO CN(CC[C@H]1CCCC[N@@H+]1C)[C@@H](C(N)=O)c1ccc(Br)cc1F ZINC000245446170 553090643 /nfs/dbraw/zinc/09/06/43/553090643.db2.gz KYUCRKDTNLGFQI-CZUORRHYSA-N 1 0 386.309 2.921 20 0 GFADRO CN(Cc1cc(Br)cs1)C(=O)C[N@H+](C)C[C@H]1CCCC[C@H]1O ZINC000245546118 553092172 /nfs/dbraw/zinc/09/21/72/553092172.db2.gz LZELRTDSQZIBJI-IUODEOHRSA-N 1 0 389.359 2.952 20 0 GFADRO C[C@H]1CC[N@H+](CC(=O)Nc2ccc(Cl)c(S(=O)(=O)N(C)C)c2)C[C@H]1C ZINC000245872376 553098316 /nfs/dbraw/zinc/09/83/16/553098316.db2.gz HAWQCFVTRZPHTR-QWHCGFSZSA-N 1 0 387.933 2.507 20 0 GFADRO Cc1cccc(S(=O)(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)c1Br ZINC000246159636 553103252 /nfs/dbraw/zinc/10/32/52/553103252.db2.gz CIZRCJOBSWYKOA-ZIAGYGMSSA-N 1 0 387.343 2.862 20 0 GFADRO CNC(=O)[C@@H](C)C[N@H+](C)[C@H](C)C(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000246262118 553104816 /nfs/dbraw/zinc/10/48/16/553104816.db2.gz UYPPTIYZBRIKMV-VHSXEESVSA-N 1 0 379.810 3.000 20 0 GFADRO O[C@@H](CN1CCOCC1)C[N@@H+]1CCC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000246332655 553106399 /nfs/dbraw/zinc/10/63/99/553106399.db2.gz DQAYKNGXUWEYJV-HOCLYGCPSA-N 1 0 389.323 2.530 20 0 GFADRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2cc3c(c(Br)c2)OCO3)C1 ZINC000246415265 553107878 /nfs/dbraw/zinc/10/78/78/553107878.db2.gz AENCAMBOTLLDTH-SMDDNHRTSA-N 1 0 381.270 2.734 20 0 GFADRO C[N@H+](C[C@H](O)COc1ccc(Cl)cc1Br)C[C@@H]1CCC[C@H]1O ZINC000246464979 553108013 /nfs/dbraw/zinc/10/80/13/553108013.db2.gz JHQCZORMEIWIND-CORIIIEPSA-N 1 0 392.721 2.935 20 0 GFADRO C[N@@H+]1CC[C@H](CNC(=O)[C@H](c2ccc(Br)cc2)N2CCCC2)C1 ZINC000246467051 553108032 /nfs/dbraw/zinc/10/80/32/553108032.db2.gz GJKITCFWCGSSRH-PBHICJAKSA-N 1 0 380.330 2.654 20 0 GFADRO C[C@@H]1C[N@@H+](CCC2CCN(C(=O)C[C@H]3CSCCS3)CC2)C[C@H](C)O1 ZINC000246503334 553108733 /nfs/dbraw/zinc/10/87/33/553108733.db2.gz BHPNBHNUHGWIOU-JZXOWHBKSA-N 1 0 386.627 2.963 20 0 GFADRO O[C@@H](CN1CCC[C@@H](C[NH+]2CCOCC2)C1)c1cccc(Br)c1 ZINC000246547370 553109371 /nfs/dbraw/zinc/10/93/71/553109371.db2.gz CGMBOLKDLMPGDU-YJBOKZPZSA-N 1 0 383.330 2.527 20 0 GFADRO CC[S@](=O)[C@@H]1CCC[C@H]([NH2+][C@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)C1 ZINC000246587475 553110009 /nfs/dbraw/zinc/11/00/09/553110009.db2.gz WNNAAAFCSQWMAA-FXIICAMRSA-N 1 0 386.583 2.667 20 0 GFADRO CC(=O)N1CC[C@H](C[N@@H+](C)CC(=O)N[C@@H](C)c2ccc(Cl)c(Cl)c2)C1 ZINC000246738349 553112030 /nfs/dbraw/zinc/11/20/30/553112030.db2.gz ODRRCXUPIUYFJD-GXTWGEPZSA-N 1 0 386.323 2.971 20 0 GFADRO O[C@H](COc1cc(Cl)ccc1Cl)C[N@@H+]1CCC[C@@H](Cn2ccnn2)C1 ZINC000246810276 553113332 /nfs/dbraw/zinc/11/33/32/553113332.db2.gz TXBRUASNIWTBRP-HIFRSBDPSA-N 1 0 385.295 2.737 20 0 GFADRO C[N@@H+]1CCC[C@@H]2CN(S(=O)(=O)c3ccc(F)c(C(F)(F)F)c3)CC[C@H]21 ZINC000246867241 553114583 /nfs/dbraw/zinc/11/45/83/553114583.db2.gz DFBPLFDXZMCZPB-IAQYHMDHSA-N 1 0 380.407 2.949 20 0 GFADRO C[C@H](CNC(=O)N[C@H](CO)c1cccc(Br)c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000246908467 553115091 /nfs/dbraw/zinc/11/50/91/553115091.db2.gz MOTMBFLNXZRDCI-CKEIUWERSA-N 1 0 398.345 2.902 20 0 GFADRO C[C@@H](C(=O)Nc1ccc(Br)cc1)[N@@H+]1CCC[C@@H](Cn2ccnn2)C1 ZINC000246938797 553115815 /nfs/dbraw/zinc/11/58/15/553115815.db2.gz ZDVJMOWCBNSXNB-UONOGXRCSA-N 1 0 392.301 2.780 20 0 GFADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2cc(Br)cn2C)[C@@H](C)C1 ZINC000246922077 553115852 /nfs/dbraw/zinc/11/58/52/553115852.db2.gz WQHBHJAPEJTTED-ZFWWWQNUSA-N 1 0 386.334 2.654 20 0 GFADRO CC[C@@H]1CN(C(=O)[C@@H](C)Oc2cccc(Br)c2)CC[N@@H+]1C[C@H](C)O ZINC000247010154 553117329 /nfs/dbraw/zinc/11/73/29/553117329.db2.gz WEABFAVKWRGFRU-SQWLQELKSA-N 1 0 399.329 2.520 20 0 GFADRO CC[C@@H]1CN(C(=O)c2[nH]c3ccccc3c2Br)CC[N@@H+]1C[C@H](C)O ZINC000247025973 553117387 /nfs/dbraw/zinc/11/73/87/553117387.db2.gz WZRWKJVBCCUNFS-QWHCGFSZSA-N 1 0 394.313 2.848 20 0 GFADRO O=C(CC[N@@H+]1CCS[C@H]2COCC[C@H]21)Nc1ccc(Br)cc1 ZINC000247080466 553118084 /nfs/dbraw/zinc/11/80/84/553118084.db2.gz WOUWHRVPNCQNKZ-CABCVRRESA-N 1 0 385.327 2.984 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)Cc2nnnn2-c2ccccc2Br)[C@@H](C)C1 ZINC000247225140 553120123 /nfs/dbraw/zinc/12/01/23/553120123.db2.gz RQBIVVOZUZWCSW-DZGCQCFKSA-N 1 0 393.333 2.587 20 0 GFADRO O=S(=O)(NCC[N@H+]1CCC[C@H]1C[C@@H](O)c1cccs1)c1ccccc1 ZINC000247274968 553120938 /nfs/dbraw/zinc/12/09/38/553120938.db2.gz WSYJBJVRFDGFJD-DOTOQJQBSA-N 1 0 380.535 2.615 20 0 GFADRO CCC(=O)N1CSC[C@@H]1C(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000247454238 553121934 /nfs/dbraw/zinc/12/19/34/553121934.db2.gz QLRLCSGIDVQGSK-CKEIUWERSA-N 1 0 381.567 2.559 20 0 GFADRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2S(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)C1 ZINC000247645040 553124727 /nfs/dbraw/zinc/12/47/27/553124727.db2.gz VKIAPCHBDPKBRI-NHYWBVRUSA-N 1 0 380.407 2.949 20 0 GFADRO Cc1ccc(Br)c(S(=O)(=O)N(C)[C@H]2CC[N@@H+](C)C[C@H]2C)c1 ZINC000247815314 553125859 /nfs/dbraw/zinc/12/58/59/553125859.db2.gz VZSRTDGKGHIMSX-OCCSQVGLSA-N 1 0 375.332 2.718 20 0 GFADRO C[N@@H+]1CCC[C@@H]2CN(S(=O)(=O)c3ccc(F)cc3Br)CC[C@H]21 ZINC000247888538 553126507 /nfs/dbraw/zinc/12/65/07/553126507.db2.gz DSABMSFRIOZAKM-BXUZGUMPSA-N 1 0 391.306 2.693 20 0 GFADRO C[N@@H+]1CC[C@H](NC(=O)c2cc(I)c[nH]2)[C@H]1c1ccccc1 ZINC000247961331 553127236 /nfs/dbraw/zinc/12/72/36/553127236.db2.gz CSYPGVQDEMSGRC-DZGCQCFKSA-N 1 0 395.244 2.795 20 0 GFADRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)[C@@H]3CCN(c4cc(Cl)ccc4Cl)C3=O)C[C@H]12 ZINC000248699105 553133031 /nfs/dbraw/zinc/13/30/31/553133031.db2.gz ZHDKBTOPHTVVRZ-GVUJHPQVSA-N 1 0 382.291 2.542 20 0 GFADRO CCOCCC[N@@H+]1CC[C@H](NS(=O)(=O)c2ccccc2SC)[C@@H](C)C1 ZINC000249059577 553138563 /nfs/dbraw/zinc/13/85/63/553138563.db2.gz GBJDQJQMJKKNSL-HOTGVXAUSA-N 1 0 386.583 2.824 20 0 GFADRO Cc1cccc(NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1Br ZINC000249266241 553141491 /nfs/dbraw/zinc/14/14/91/553141491.db2.gz ZMVFTWQYSCSQFE-QWHCGFSZSA-N 1 0 382.302 2.637 20 0 GFADRO Cc1cnc(NC(=O)C(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)s1 ZINC000249287323 553141734 /nfs/dbraw/zinc/14/17/34/553141734.db2.gz PUCORUFCPFKILG-GXTWGEPZSA-N 1 0 378.523 2.651 20 0 GFADRO C[C@H](O)C[N@@H+]1CCN(Cc2ncc(-c3ccc(Br)cc3)o2)[C@@H](C)C1 ZINC000249294085 553141829 /nfs/dbraw/zinc/14/18/29/553141829.db2.gz QPYCGAGSFXSYJF-KBPBESRZSA-N 1 0 394.313 2.991 20 0 GFADRO O[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3C[N@@H+]2Cc1cc(Br)c2c(c1)OCCCO2 ZINC000249653185 553145026 /nfs/dbraw/zinc/14/50/26/553145026.db2.gz YULJWOPGBNIIBT-AVVLXZEZSA-N 1 0 380.282 2.812 20 0 GFADRO C[C@H]1C[N@@H+](C2CCN(C[C@@H](O)c3cccc(Br)c3)CC2)CCO1 ZINC000249682422 553145707 /nfs/dbraw/zinc/14/57/07/553145707.db2.gz ASGUUBCJYMQQEP-KBXCAEBGSA-N 1 0 383.330 2.668 20 0 GFADRO CC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CC(=O)N(c3cc(Cl)cc(Cl)c3)C2)C1 ZINC000249763993 553145981 /nfs/dbraw/zinc/14/59/81/553145981.db2.gz HTINBRYZOXABHB-OLZOCXBDSA-N 1 0 384.307 2.804 20 0 GFADRO C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 ZINC000249743696 553146343 /nfs/dbraw/zinc/14/63/43/553146343.db2.gz KYGUHXWIQPBHJO-JKSUJKDBSA-N 1 0 384.307 2.808 20 0 GFADRO O=C(c1ccc(I)c(Cl)c1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000261582118 553153476 /nfs/dbraw/zinc/15/34/76/553153476.db2.gz GNEIRJYXEKVBKS-GWCFXTLKSA-N 1 0 390.652 2.769 20 0 GFADRO O=C(c1ccc(Br)cc1Br)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261578681 553153620 /nfs/dbraw/zinc/15/36/20/553153620.db2.gz DHMWHGCHJHBGOY-VHSXEESVSA-N 1 0 388.103 2.893 20 0 GFADRO O=C(c1cc(F)ccc1I)N1CCC2(CC[NH2+]C2)CC1 ZINC000261678296 553155873 /nfs/dbraw/zinc/15/58/73/553155873.db2.gz DDEJQJJYTMEMEG-UHFFFAOYSA-N 1 0 388.224 2.646 20 0 GFADRO O=S(=O)(c1c(Cl)cccc1Br)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261708372 553156670 /nfs/dbraw/zinc/15/66/70/553156670.db2.gz JGVCQROCWIQWOT-ZJUUUORDSA-N 1 0 379.707 2.618 20 0 GFADRO O=C(c1ccn(-c2cccc(Br)c2)n1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000261691422 553156697 /nfs/dbraw/zinc/15/66/97/553156697.db2.gz DXPKJPBJCYHTTO-OKILXGFUSA-N 1 0 389.297 2.706 20 0 GFADRO C[NH2+][C@@H](C)Cc1noc([C@H]2CC(=O)N(c3cccc(Br)c3)C2)n1 ZINC000261737103 553157279 /nfs/dbraw/zinc/15/72/79/553157279.db2.gz KTSZKATWXDORHZ-QWRGUYRKSA-N 1 0 379.258 2.503 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000261731331 553157295 /nfs/dbraw/zinc/15/72/95/553157295.db2.gz CUISXUIHPUUSNQ-KSSFIOAISA-N 1 0 384.567 2.548 20 0 GFADRO C[C@H]([NH3+])CC(=O)Nc1ccc(-c2sc(CC(N)=O)cc2Br)cc1 ZINC000261751750 553157962 /nfs/dbraw/zinc/15/79/62/553157962.db2.gz HHHWEKLCWGOWHA-VIFPVBQESA-N 1 0 396.310 2.881 20 0 GFADRO O=S(=O)(NCC[C@H]1CCC[NH2+]C1)c1c(Cl)cccc1Br ZINC000261743663 553158211 /nfs/dbraw/zinc/15/82/11/553158211.db2.gz MGRRLNLLJSMRAP-SNVBAGLBSA-N 1 0 381.723 2.771 20 0 GFADRO O=C(NC[C@H]1CCCN(Cc2ccc(Br)cc2F)C1)[C@@H]1CCC[NH2+]1 ZINC000261770586 553158643 /nfs/dbraw/zinc/15/86/43/553158643.db2.gz WXBLPVOOUZMRED-DYVFJYSZSA-N 1 0 398.320 2.668 20 0 GFADRO CCO[C@H]1C[C@]([NH3+])(C(=O)N(C)CCOc2ccc(Br)cc2)C1(C)C ZINC000261772553 553158723 /nfs/dbraw/zinc/15/87/23/553158723.db2.gz XCQFNZYWLIBWNZ-YJBOKZPZSA-N 1 0 399.329 2.819 20 0 GFADRO O=C(CN1CC[NH2+]C[C@@H]1c1cccc(F)c1)Nc1ccc(Br)cn1 ZINC000261794912 553159365 /nfs/dbraw/zinc/15/93/65/553159365.db2.gz QKVXFZLIXCZNAM-OAHLLOKOSA-N 1 0 393.260 2.568 20 0 GFADRO Cc1ccc([C@@H]([NH3+])C(=O)N2CCN(c3ccc(Br)cn3)CC2)cc1 ZINC000261793164 553159384 /nfs/dbraw/zinc/15/93/84/553159384.db2.gz ZCWLDJGAPZGDFD-QGZVFWFLSA-N 1 0 389.297 2.501 20 0 GFADRO C[C@H](C(=O)N1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1)c1ccc(Cl)s1 ZINC000261777528 553159389 /nfs/dbraw/zinc/15/93/89/553159389.db2.gz HAGKHUCVQPGYSS-BFHYXJOUSA-N 1 0 383.945 2.612 20 0 GFADRO O=C(CC[C@H]1CC[NH2+]C1)Nc1cc(F)c(I)c(F)c1 ZINC000261794624 553159394 /nfs/dbraw/zinc/15/93/94/553159394.db2.gz DEDZDBMOGORRBB-QMMMGPOBSA-N 1 0 380.176 2.898 20 0 GFADRO Cc1c(C(=O)N2C[C@@H](C[NH3+])C[C@@H]2C)cnn1-c1ccc(Br)cc1 ZINC000261831519 553160472 /nfs/dbraw/zinc/16/04/72/553160472.db2.gz OIMSBQKJMLKZSS-WCQYABFASA-N 1 0 377.286 2.753 20 0 GFADRO C[C@]1(C[NH3+])CCN(S(=O)(=O)c2c(Cl)cc(F)cc2Br)C1 ZINC000261854924 553161287 /nfs/dbraw/zinc/16/12/87/553161287.db2.gz RUHKFZCZPVACTJ-GFCCVEGCSA-N 1 0 385.686 2.601 20 0 GFADRO Cc1ccc(S(=O)(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)c(Br)c1 ZINC000261849962 553161314 /nfs/dbraw/zinc/16/13/14/553161314.db2.gz DJANLFHQTTZRTO-HNNXBMFYSA-N 1 0 387.343 2.910 20 0 GFADRO COc1ccc(Br)cc1C(=O)CCC(=O)N1C[C@H](C[NH3+])C[C@@H]1C ZINC000261897164 553162094 /nfs/dbraw/zinc/16/20/94/553162094.db2.gz WCCLFFWTVGFOQU-RYUDHWBXSA-N 1 0 383.286 2.616 20 0 GFADRO COc1ccc(Br)cc1C(=O)CCC(=O)N1C[C@@H](C[NH3+])C[C@H]1C ZINC000261897166 553162439 /nfs/dbraw/zinc/16/24/39/553162439.db2.gz WCCLFFWTVGFOQU-VXGBXAGGSA-N 1 0 383.286 2.616 20 0 GFADRO CC[C@@H](CNC(=O)[C@@H]([NH3+])C1CCOCC1)Cc1cccc(Br)c1 ZINC000261919281 553162687 /nfs/dbraw/zinc/16/26/87/553162687.db2.gz YMFSHWSHLJTJOC-DYVFJYSZSA-N 1 0 383.330 2.888 20 0 GFADRO COc1cc(NC(=O)[C@]2([NH3+])[C@H]3CCCO[C@H]3C2(C)C)ccc1Br ZINC000261937164 553162720 /nfs/dbraw/zinc/16/27/20/553162720.db2.gz UCPXWXLZAFBJGM-FABXCBLPSA-N 1 0 383.286 2.929 20 0 GFADRO CC[C@H](CNC(=O)[C@H]([NH3+])C1CCOCC1)Cc1cccc(Br)c1 ZINC000261919283 553162762 /nfs/dbraw/zinc/16/27/62/553162762.db2.gz YMFSHWSHLJTJOC-SUMWQHHRSA-N 1 0 383.330 2.888 20 0 GFADRO C[C@@]1(C[NH3+])CCN(C(=O)c2ccc(I)cc2Cl)C1 ZINC000262042352 553164889 /nfs/dbraw/zinc/16/48/89/553164889.db2.gz QIHGEIBBTROWOE-ZDUSSCGKSA-N 1 0 378.641 2.756 20 0 GFADRO C[C@@H](Sc1cc(Cl)ccc1Cl)C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000262130634 553166390 /nfs/dbraw/zinc/16/63/90/553166390.db2.gz WTBNKIYFCDVKFX-TZMCWYRMSA-N 1 0 388.364 2.980 20 0 GFADRO O=S(=O)(c1ccc(OC(F)F)c(F)c1)N1CCC([NH2+]CC2CC2)CC1 ZINC000262141706 553166437 /nfs/dbraw/zinc/16/64/37/553166437.db2.gz XWFPHVCBPHFBIT-UHFFFAOYSA-N 1 0 378.416 2.580 20 0 GFADRO CCC[C@](C)([NH3+])C(=O)N1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000262165782 553166968 /nfs/dbraw/zinc/16/69/68/553166968.db2.gz VXVSCZWYXVPRFY-SJCJKPOMSA-N 1 0 397.317 2.539 20 0 GFADRO C[C@H]1C[C@@H](C(=O)Nc2cc(F)c(I)c(F)c2)CC[NH2+]1 ZINC000262346887 553169341 /nfs/dbraw/zinc/16/93/41/553169341.db2.gz HUJILTDAHFSCJM-YUMQZZPRSA-N 1 0 380.176 2.896 20 0 GFADRO COCC1(C(=O)N2CC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)CC[NH2+]CC1 ZINC000262328885 553169385 /nfs/dbraw/zinc/16/93/85/553169385.db2.gz DXGQMPSNQFPPRY-CQSZACIVSA-N 1 0 387.307 2.989 20 0 GFADRO COCC1(C(=O)NCC2(c3cccc(Br)c3)CC2)CC[NH2+]CC1 ZINC000262367564 553169889 /nfs/dbraw/zinc/16/98/89/553169889.db2.gz LKWUGLDWWAVJQA-UHFFFAOYSA-N 1 0 381.314 2.613 20 0 GFADRO O=C(NC[C@@H]1CCCN(Cc2ccc(Br)s2)C1)[C@H]1CCC[NH2+]1 ZINC000262365610 553169898 /nfs/dbraw/zinc/16/98/98/553169898.db2.gz WWNDKZXBSXTFFY-GXTWGEPZSA-N 1 0 386.359 2.591 20 0 GFADRO Cc1ccc(Br)c(S(=O)(=O)NC[C@@H]2[NH2+]CCc3ccccc32)c1 ZINC000262395294 553170353 /nfs/dbraw/zinc/17/03/53/553170353.db2.gz ZDLIHOFXTBZBCC-INIZCTEOSA-N 1 0 395.322 2.923 20 0 GFADRO CC[NH2+][C@H](C)CNC(=O)c1nn(-c2cccc(Br)c2)c2c1CCC2 ZINC000262493622 553171352 /nfs/dbraw/zinc/17/13/52/553171352.db2.gz VQZCQJFGVPFQTI-GFCCVEGCSA-N 1 0 391.313 2.851 20 0 GFADRO O=C(C[C@H]1COCC[NH2+]1)N1CCC(COc2cc(Cl)cc(Cl)c2)CC1 ZINC000262523404 553171976 /nfs/dbraw/zinc/17/19/76/553171976.db2.gz KYWOIPSMVIOHTB-INIZCTEOSA-N 1 0 387.307 2.989 20 0 GFADRO [NH3+]C[C@@H]1CCCN1C(=O)c1ccc(NC(=O)c2ccc(Br)o2)cc1 ZINC000262656128 553173561 /nfs/dbraw/zinc/17/35/61/553173561.db2.gz WZVVNWHUEBPDOA-ZDUSSCGKSA-N 1 0 392.253 2.858 20 0 GFADRO C[C@H](CC(=O)N1CCC(n2cc(Br)cn2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000262654401 553173672 /nfs/dbraw/zinc/17/36/72/553173672.db2.gz WNDOGXLEFUCYJO-ZIAGYGMSSA-N 1 0 383.334 2.835 20 0 GFADRO CCCOc1c(Br)cc(C(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)cc1OC ZINC000262709145 553173822 /nfs/dbraw/zinc/17/38/22/553173822.db2.gz CEHRVZFUFPUVEY-SMDDNHRTSA-N 1 0 385.302 2.974 20 0 GFADRO C[S@](=O)Cc1cc(NC(=O)c2ccn([C@@H]3CCC[NH2+]C3)n2)ccc1Cl ZINC000262709400 553174173 /nfs/dbraw/zinc/17/41/73/553174173.db2.gz FACNVXGMTWCYNB-PWECECGKSA-N 1 0 380.901 2.592 20 0 GFADRO COC(=O)c1cc(S(=O)(=O)NC[C@H]([NH3+])c2ccc(C(C)C)cc2)cs1 ZINC000262739472 553174660 /nfs/dbraw/zinc/17/46/60/553174660.db2.gz IJQZAHDRYSECGM-HNNXBMFYSA-N 1 0 382.507 2.636 20 0 GFADRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1 ZINC000262759527 553175136 /nfs/dbraw/zinc/17/51/36/553175136.db2.gz KOAIBOIUEHHQEN-BBRMVZONSA-N 1 0 384.929 2.541 20 0 GFADRO Cc1c(C(=O)N2CC[NH2+][C@H](C)[C@H]2C)cnn1-c1ccc(Br)cc1 ZINC000262744038 553175187 /nfs/dbraw/zinc/17/51/87/553175187.db2.gz JIMIUFIAHCSRIG-VXGBXAGGSA-N 1 0 377.286 2.766 20 0 GFADRO C[C@@H]([NH3+])C1CCN(S(=O)(=O)c2ccc(Cl)cc2Br)CC1 ZINC000262800838 553176217 /nfs/dbraw/zinc/17/62/17/553176217.db2.gz VJARHABMSYKGSM-SECBINFHSA-N 1 0 381.723 2.850 20 0 GFADRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)c1cc(Cl)ccc1I ZINC000262849706 553177182 /nfs/dbraw/zinc/17/71/82/553177182.db2.gz SCUNDDMXGFQBCM-UFBFGSQYSA-N 1 0 378.641 2.672 20 0 GFADRO C[C@]([NH3+])(C(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1)c1ccccc1 ZINC000262902411 553178207 /nfs/dbraw/zinc/17/82/07/553178207.db2.gz PTCJDVIBVHXCQW-GOSISDBHSA-N 1 0 379.291 2.911 20 0 GFADRO COc1c(Cl)cc(NC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)cc1Cl ZINC000263663044 553190902 /nfs/dbraw/zinc/19/09/02/553190902.db2.gz GWFKLKSTNSAWRI-ZIAGYGMSSA-N 1 0 386.279 2.684 20 0 GFADRO COc1c(Cl)cc(NC(=O)C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)cc1Cl ZINC000263718372 553191878 /nfs/dbraw/zinc/19/18/78/553191878.db2.gz RWYHZICFOBWZCR-SNVBAGLBSA-N 1 0 386.279 2.541 20 0 GFADRO Cn1ncc(Cl)c1C[NH2+]C[C@H](CO)Cc1cc(Br)ccc1F ZINC000449605326 564192310 /nfs/dbraw/zinc/19/23/10/564192310.db2.gz YZTCGBOWHDLDQS-SNVBAGLBSA-N 1 0 390.684 2.916 20 0 GFADRO O=C1NCC[C@H]1CC[N@H+]1CCC[C@H]1c1ccc(I)cc1 ZINC000563350520 564187692 /nfs/dbraw/zinc/18/76/92/564187692.db2.gz OXDSRFRYKHEBQI-ZFWWWQNUSA-N 1 0 384.261 2.954 20 0 GFADRO CCC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1ccc(F)c(Br)c1 ZINC000511036304 564354485 /nfs/dbraw/zinc/35/44/85/564354485.db2.gz VVWXKXLEOLXGBR-NSHDSACASA-N 1 0 379.295 2.741 20 0 GFADRO Cc1cc(Br)cc(Cl)c1NC(=O)C(=O)N1CCC[C@H](C[NH3+])C1 ZINC000568487537 564421067 /nfs/dbraw/zinc/42/10/67/564421067.db2.gz OPZGGTLWGIPETH-SNVBAGLBSA-N 1 0 388.693 2.547 20 0 GFADRO [NH3+][C@@H](CNC(=O)N1CCC[C@H]1c1ccc(I)cc1)C1CC1 ZINC000418499376 563218774 /nfs/dbraw/zinc/21/87/74/563218774.db2.gz NXGXWBNCABNFMA-GJZGRUSLSA-N 1 0 399.276 2.875 20 0 GFADRO [NH3+][C@@H]1C[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1ccc(Cl)cc1Br ZINC000374088267 563361101 /nfs/dbraw/zinc/36/11/01/563361101.db2.gz IGAYSEAEFAGRRA-RTCCRHLQSA-N 1 0 379.707 2.745 20 0 GFADRO [NH3+][C@@H]1CCCC[C@H]1NC(=O)Nc1cccc(F)c1I ZINC000424421536 563378419 /nfs/dbraw/zinc/37/84/19/563378419.db2.gz YFCSAEJKIOWEQZ-NXEZZACHSA-N 1 0 377.201 2.822 20 0 GFADRO C[NH2+][C@@H](C)C(=O)Nc1ccc(Br)c(I)c1 ZINC000300990800 563391898 /nfs/dbraw/zinc/39/18/98/563391898.db2.gz VBBRRQAIIBZEGR-LURJTMIESA-N 1 0 383.027 2.600 20 0 GFADRO CSCc1noc(CCC(=O)NC[C@H]2CC[N@H+](C)[C@H]2c2cccs2)n1 ZINC000369397791 563213029 /nfs/dbraw/zinc/21/30/29/563213029.db2.gz JLJUBKHRBFAJIV-SJKOYZFVSA-N 1 0 380.539 2.736 20 0 GFADRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)NCCc1c[nH]c2cccc(Br)c12 ZINC000418196196 563213284 /nfs/dbraw/zinc/21/32/84/563213284.db2.gz HCIYSDXIWGPNHQ-SMDDNHRTSA-N 1 0 379.302 2.770 20 0 GFADRO C[C@@]1(C[NH3+])CCN(C(=O)NCCc2c[nH]c3cccc(Br)c23)C1 ZINC000418205438 563213569 /nfs/dbraw/zinc/21/35/69/563213569.db2.gz ZBMHFQOFACTGON-KRWDZBQOSA-N 1 0 379.302 2.853 20 0 GFADRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)NCc3nc4c(cccc4Br)[nH]3)C[C@@H]21 ZINC000418262782 563214996 /nfs/dbraw/zinc/21/49/96/563214996.db2.gz ITIRCRNPLZGUKK-GMXVVIOVSA-N 1 0 392.301 2.594 20 0 GFADRO O=C(N[C@@H]1CCc2c1ccc(F)c2Br)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000418250815 563215093 /nfs/dbraw/zinc/21/50/93/563215093.db2.gz LRHWROGRTZHWEE-ZIBATOQPSA-N 1 0 382.277 2.826 20 0 GFADRO C[NH2+]CCCNC(=O)N1CCC[C@@H]1c1ccc(I)cc1 ZINC000418280282 563215474 /nfs/dbraw/zinc/21/54/74/563215474.db2.gz AMVSUGDCFOCTNT-CQSZACIVSA-N 1 0 387.265 2.747 20 0 GFADRO O=C(N[C@H]1CCC[NH2+]C1)N1CCC[C@H]1c1ccccc1I ZINC000418389681 563216382 /nfs/dbraw/zinc/21/63/82/563216382.db2.gz WPXLAVLGOZBIOO-WFASDCNBSA-N 1 0 399.276 2.890 20 0 GFADRO COc1cc(C[NH2+]C2CCN(c3cccnn3)CC2)cc(Br)c1O ZINC000277629910 563217326 /nfs/dbraw/zinc/21/73/26/563217326.db2.gz KRWUKMWRPONZFI-UHFFFAOYSA-N 1 0 393.285 2.712 20 0 GFADRO CC(C)(COc1ncccc1Br)NC(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000418423568 563217347 /nfs/dbraw/zinc/21/73/47/563217347.db2.gz JKWLLWUIJIRMCW-JSGCOSHPSA-N 1 0 399.333 2.818 20 0 GFADRO CC(C)([NH3+])CNC(=O)N(Cc1cccc(Br)c1)C1CCOCC1 ZINC000418418661 563217357 /nfs/dbraw/zinc/21/73/57/563217357.db2.gz XQQBHKDZWSHRPC-UHFFFAOYSA-N 1 0 384.318 2.877 20 0 GFADRO [NH3+][C@H](CNC(=O)N1CCN(Cc2ccc(Cl)s2)CC1)c1ccccc1 ZINC000418435054 563217732 /nfs/dbraw/zinc/21/77/32/563217732.db2.gz WIENRJGVFGYGRH-MRXNPFEDSA-N 1 0 378.929 2.929 20 0 GFADRO COc1ccc(CNC(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)cc1Br ZINC000369582583 563217787 /nfs/dbraw/zinc/21/77/87/563217787.db2.gz OOVPXMXYTPBDQM-CQSZACIVSA-N 1 0 382.302 2.837 20 0 GFADRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N1CCO[C@@H](c2cccc(Br)c2)C1 ZINC000418582656 563219970 /nfs/dbraw/zinc/21/99/70/563219970.db2.gz AFJAUEUSIMMVIP-UHOFOFEASA-N 1 0 382.302 2.530 20 0 GFADRO C[C@@H](CC[NH3+])NC(=O)N1CCC[C@H]1c1ccc(I)cc1 ZINC000418537189 563220269 /nfs/dbraw/zinc/22/02/69/563220269.db2.gz CPCMNNGPBMNYHW-FZMZJTMJSA-N 1 0 387.265 2.875 20 0 GFADRO O=C(NCc1ccc2c(c1)C[NH2+]C2)N[C@H](CO)c1ccc(Br)cc1 ZINC000418585365 563220773 /nfs/dbraw/zinc/22/07/73/563220773.db2.gz PJOMCUAOZBYWAL-QGZVFWFLSA-N 1 0 390.281 2.585 20 0 GFADRO Cn1ncc(Br)c1C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000294943691 563223107 /nfs/dbraw/zinc/22/31/07/563223107.db2.gz VOBZQBIYMWNUST-LBPRGKRZSA-N 1 0 397.342 2.886 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[N@H+](C)C[C@@H]1CCCOC1 ZINC000294964968 563223718 /nfs/dbraw/zinc/22/37/18/563223718.db2.gz WJTRFQVMPANNKQ-KBPBESRZSA-N 1 0 399.329 2.821 20 0 GFADRO CN(CCOc1ccc(Br)cc1)C(=O)NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000418735514 563223761 /nfs/dbraw/zinc/22/37/61/563223761.db2.gz WOTQJHYPDJGYRR-HIFRSBDPSA-N 1 0 384.318 2.987 20 0 GFADRO CC(C)[C@](C)(NC(=O)NC[C@H]1C[NH2+]CCO1)c1ccc(Br)cc1 ZINC000418755162 563224182 /nfs/dbraw/zinc/22/41/82/563224182.db2.gz BQLFUTZIPZWRBX-WBVHZDCISA-N 1 0 384.318 2.608 20 0 GFADRO Cc1cc([C@H]2CCCN2C(=O)NC[C@@H]2C[NH2+]CCN2C)ccc1Br ZINC000418765904 563224840 /nfs/dbraw/zinc/22/48/40/563224840.db2.gz PIEVJVYUVJPULA-DOTOQJQBSA-N 1 0 395.345 2.508 20 0 GFADRO CCCN(C(=O)NC[C@@H]1C[NH2+]CCO1)[C@H](C)c1ccccc1Br ZINC000418764640 563225040 /nfs/dbraw/zinc/22/50/40/563225040.db2.gz KZLZCGPETXOEFL-KGLIPLIRSA-N 1 0 384.318 2.920 20 0 GFADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1CN1CC[C@H](SC)C1 ZINC000295003558 563225281 /nfs/dbraw/zinc/22/52/81/563225281.db2.gz ISEDKVYOENQIMZ-RISCZKNCSA-N 1 0 387.343 2.900 20 0 GFADRO [NH3+][C@H]1CCCN(C(=O)C(=O)N[C@H](c2cccs2)c2ccc(Cl)cc2)C1 ZINC000418767318 563225319 /nfs/dbraw/zinc/22/53/19/563225319.db2.gz RXODOEIVTGGDDE-HOCLYGCPSA-N 1 0 377.897 2.557 20 0 GFADRO COc1cc(Br)c(CN[C@H](c2nccn2C)C(C)(C)CO)cc1O ZINC000295008410 563225592 /nfs/dbraw/zinc/22/55/92/563225592.db2.gz JFDAAJFKTYBFTG-OAHLLOKOSA-N 1 0 398.301 2.746 20 0 GFADRO C[C@@H](NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2)c1cc(F)c(Cl)cc1Cl ZINC000418847337 563227302 /nfs/dbraw/zinc/22/73/02/563227302.db2.gz JCQVTVVIJDDATP-MXWKQRLJSA-N 1 0 388.270 2.663 20 0 GFADRO Cc1nc2ccc(Br)cn2c1C(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000369860822 563227390 /nfs/dbraw/zinc/22/73/90/563227390.db2.gz DEHYHHYVBZGOMK-GXTWGEPZSA-N 1 0 377.286 2.571 20 0 GFADRO C[C@@H](NC(=O)C(=O)N[C@H]1CCCC[NH2+]C1)c1cc(F)c(Cl)cc1Cl ZINC000418856675 563227759 /nfs/dbraw/zinc/22/77/59/563227759.db2.gz XEJYJIHAEBKGBF-ZJUUUORDSA-N 1 0 376.259 2.568 20 0 GFADRO O=C1N[C@H](CC(F)(F)F)C(=O)N1C[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000277817032 563228237 /nfs/dbraw/zinc/22/82/37/563228237.db2.gz MKGIKANOBFRTGZ-WCQYABFASA-N 1 0 375.416 2.833 20 0 GFADRO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)C(=O)N[C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000418898544 563230326 /nfs/dbraw/zinc/23/03/26/563230326.db2.gz ZSOOVXQIGSJSOL-QCQGSNGOSA-N 1 0 384.307 2.599 20 0 GFADRO C[N@H+](CCn1cc(F)cc(I)c1=O)Cc1ccccc1 ZINC000418932190 563231104 /nfs/dbraw/zinc/23/11/04/563231104.db2.gz GCAQBAQAHLZILN-UHFFFAOYSA-N 1 0 386.208 2.724 20 0 GFADRO O=C(CCN1CC[NH+]([C@H]2CCC[C@H]2O)CC1)Nc1cc(Cl)ccc1Cl ZINC000370054171 563232597 /nfs/dbraw/zinc/23/25/97/563232597.db2.gz UQGJWTNSJGRLKI-DLBZAZTESA-N 1 0 386.323 2.853 20 0 GFADRO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1c1ccc(Br)c(C(F)(F)F)n1 ZINC000419010072 563232653 /nfs/dbraw/zinc/23/26/53/563232653.db2.gz YFKUJNQPVDGPEU-UWVGGRQHSA-N 1 0 382.224 2.754 20 0 GFADRO CN(C(=O)C(=O)N[C@@H]1CCc2c1ccc(Cl)c2Cl)[C@@H]1CCC[NH2+]CC1 ZINC000419111026 563233791 /nfs/dbraw/zinc/23/37/91/563233791.db2.gz ZQNIVPLKELGRQG-IAQYHMDHSA-N 1 0 384.307 2.697 20 0 GFADRO O=C(c1ccc(Cl)c(I)c1)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000370161614 563235743 /nfs/dbraw/zinc/23/57/43/563235743.db2.gz MYHMZRMEJYPWJT-NOZJJQNGSA-N 1 0 390.652 2.769 20 0 GFADRO C[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000419284688 563235975 /nfs/dbraw/zinc/23/59/75/563235975.db2.gz OPHXRAPFNOPHKI-LBPRGKRZSA-N 1 0 386.323 2.547 20 0 GFADRO C[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000419288848 563236387 /nfs/dbraw/zinc/23/63/87/563236387.db2.gz UAMLCYSVRMBRBB-DYEKYZERSA-N 1 0 386.323 2.626 20 0 GFADRO O=S(=O)(c1c(F)c(F)c(F)c(F)c1F)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000370231604 563236937 /nfs/dbraw/zinc/23/69/37/563236937.db2.gz DWFORSZLOGOGCG-BDAKNGLRSA-N 1 0 384.370 2.535 20 0 GFADRO NC(=O)[C@H]([NH2+][C@H]1CCN(c2ccc(F)cc2)C1)c1cccc(Br)c1 ZINC000419335152 563238000 /nfs/dbraw/zinc/23/80/00/563238000.db2.gz JMNDNOAASASKOR-DOTOQJQBSA-N 1 0 392.272 2.983 20 0 GFADRO COc1ccc(Br)c(C(=O)NCCC[NH2+][C@@H]2C[C@@H](C)O[C@H]2C)c1 ZINC000295248486 563238232 /nfs/dbraw/zinc/23/82/32/563238232.db2.gz UAXZXJLIDZVKCW-BFQNTYOBSA-N 1 0 385.302 2.733 20 0 GFADRO C[C@@H]1CN(C(=O)C(=O)NCC(C)(C)c2ccc(Cl)c(Cl)c2)CC[C@@H]1[NH3+] ZINC000419354288 563238286 /nfs/dbraw/zinc/23/82/86/563238286.db2.gz DOPDXRNGPXFQOH-ABAIWWIYSA-N 1 0 386.323 2.583 20 0 GFADRO Cc1cnn(CC[N@@H+]2CCC[C@@H](C(=O)Nc3ccc(Br)cn3)C2)c1 ZINC000370259646 563238614 /nfs/dbraw/zinc/23/86/14/563238614.db2.gz DHCIJBUIYZWVKL-CQSZACIVSA-N 1 0 392.301 2.700 20 0 GFADRO C[C@H](NC(=O)CN1C[C@H](C)[N@H+](CCO)C[C@H]1C)c1ccc(Cl)cc1Cl ZINC000419345932 563238737 /nfs/dbraw/zinc/23/87/37/563238737.db2.gz UPUQFZXYIDXSCG-MJBXVCDLSA-N 1 0 388.339 2.558 20 0 GFADRO C[C@@H]([NH3+])C1CCN(C(=O)[C@H]2CCN(c3cc(Cl)cc(Cl)c3)C2=O)CC1 ZINC000370271953 563238827 /nfs/dbraw/zinc/23/88/27/563238827.db2.gz ZNZPPXWBMFCXER-BDJLRTHQSA-N 1 0 384.307 2.932 20 0 GFADRO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)NCc1nc2cc(Cl)ccc2s1 ZINC000419448125 563240326 /nfs/dbraw/zinc/24/03/26/563240326.db2.gz XBYCNOSYEPMVNU-NWDGAFQWSA-N 1 0 382.917 2.546 20 0 GFADRO C[C@@H](Cc1c(Cl)cccc1Cl)NC(=O)C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000419568027 563242446 /nfs/dbraw/zinc/24/24/46/563242446.db2.gz KQBHGKRVSGWAKP-ZBEGNZNMSA-N 1 0 386.323 2.674 20 0 GFADRO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N[C@H](C)Cc1c(Cl)cccc1Cl ZINC000419567312 563242500 /nfs/dbraw/zinc/24/25/00/563242500.db2.gz JNTQBBZTYUXWAE-MLGOLLRUSA-N 1 0 388.339 2.872 20 0 GFADRO Cc1[nH]c(=O)c(Br)cc1C(=O)N1CC(C)(C)[C@@H]1c1nccn1C ZINC000295378644 563244480 /nfs/dbraw/zinc/24/44/80/563244480.db2.gz DPNPVFDXGXANSC-LBPRGKRZSA-N 1 0 379.258 2.815 20 0 GFADRO C[N@H+](Cc1cc(Br)cc2cccnc21)[C@H]1CCN2CCO[C@H]1C2 ZINC000295372932 563244526 /nfs/dbraw/zinc/24/45/26/563244526.db2.gz JYFKJKJEPJHPCA-IRXDYDNUSA-N 1 0 376.298 2.902 20 0 GFADRO C[NH+](C)CCN(Cc1ccc(F)c(F)c1)S(=O)(=O)CC1CC(F)(F)C1 ZINC000295394030 563245329 /nfs/dbraw/zinc/24/53/29/563245329.db2.gz LLELBUGPZVUNDR-UHFFFAOYSA-N 1 0 382.423 2.704 20 0 GFADRO O=C(CCCc1ccc(Br)s1)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000295412708 563246233 /nfs/dbraw/zinc/24/62/33/563246233.db2.gz JMSOYOADAYCRST-ZDUSSCGKSA-N 1 0 389.359 2.796 20 0 GFADRO CSc1ccc(Cl)cc1NC(=O)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000278235113 563246316 /nfs/dbraw/zinc/24/63/16/563246316.db2.gz SGANCCXONNZCQT-UHFFFAOYSA-N 1 0 381.929 2.991 20 0 GFADRO COc1cc(Br)ccc1CCC[NH2+]Cc1cnc(N(C)C)n1C ZINC000419690543 563246325 /nfs/dbraw/zinc/24/63/25/563246325.db2.gz VCQMFFJOTHPZTR-UHFFFAOYSA-N 1 0 381.318 2.980 20 0 GFADRO Cc1c(CNC(=O)C(=O)N[C@@H](C[NH3+])CC(C)C)sc2ccc(Cl)cc12 ZINC000419704694 563246818 /nfs/dbraw/zinc/24/68/18/563246818.db2.gz HZKVVDFUTPDWKI-CYBMUJFWSA-N 1 0 381.929 2.969 20 0 GFADRO O=S1(=O)CC[C@H]([NH2+]C2CCN(CCCc3c(F)cccc3Cl)CC2)C1 ZINC000370517413 563246975 /nfs/dbraw/zinc/24/69/75/563246975.db2.gz FWFDVURHNRFBNB-HNNXBMFYSA-N 1 0 388.936 2.653 20 0 GFADRO CCO[C@@H]1COC[C@H]1NCc1c(Br)cncc1Br ZINC000419711677 563247241 /nfs/dbraw/zinc/24/72/41/563247241.db2.gz OAUSTNJFFNNAON-VXGBXAGGSA-N 1 0 380.080 2.500 20 0 GFADRO Cc1c(CNC(=O)C(=O)N2CC[C@](C)(C[NH3+])C2)sc2ccc(Cl)cc12 ZINC000419711738 563247622 /nfs/dbraw/zinc/24/76/22/563247622.db2.gz PQHRVQYUTGQYQE-GOSISDBHSA-N 1 0 379.913 2.677 20 0 GFADRO Cc1cccc(CCC[NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)n1 ZINC000419712958 563247648 /nfs/dbraw/zinc/24/76/48/563247648.db2.gz MEKKENQOIOMFBV-UHFFFAOYSA-N 1 0 398.326 2.522 20 0 GFADRO Cc1c2cc(Cl)ccc2sc1CNC(=O)C(=O)N[C@H]1CCC[NH2+][C@@H]1C ZINC000419721063 563248379 /nfs/dbraw/zinc/24/83/79/563248379.db2.gz YSMBXTZOZHBPBX-RISCZKNCSA-N 1 0 379.913 2.736 20 0 GFADRO CC(C)(C(=O)N[C@@H]1CCC[N@H+](CCCO)C1)c1ccc(Br)cc1 ZINC000295504746 563250965 /nfs/dbraw/zinc/25/09/65/563250965.db2.gz PLBLFZCVJCOGJR-MRXNPFEDSA-N 1 0 383.330 2.690 20 0 GFADRO CC[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)N1CCC([NH2+]C)CC1 ZINC000419782706 563251298 /nfs/dbraw/zinc/25/12/98/563251298.db2.gz UQWUCVRKOPUBTH-CQSZACIVSA-N 1 0 386.323 2.641 20 0 GFADRO C[NH2+]CCCNC(=O)C(=O)N1CCC(Cc2cc(Cl)ccc2Cl)CC1 ZINC000419842955 563251516 /nfs/dbraw/zinc/25/15/16/563251516.db2.gz JBDMEGAHFAHNIL-UHFFFAOYSA-N 1 0 386.323 2.500 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]C[C@H]1CCOC[C@H]1C ZINC000295580347 563254578 /nfs/dbraw/zinc/25/45/78/563254578.db2.gz BLGVERDUSMRXNH-HZSPNIEDSA-N 1 0 399.329 2.725 20 0 GFADRO Cc1cc(Br)ccc1C(=O)NC[C@@H]1CCC[C@H]1[NH+]1CCOCC1 ZINC000370771691 563254836 /nfs/dbraw/zinc/25/48/36/563254836.db2.gz JCMUNASULVOJJZ-WMLDXEAASA-N 1 0 381.314 2.988 20 0 GFADRO Cn1nccc1N1CCC[C@H]([NH2+]Cc2cnc3ccc(Br)cn23)C1 ZINC000278471400 563257800 /nfs/dbraw/zinc/25/78/00/563257800.db2.gz HGMCFUQRQJWZJV-AWEZNQCLSA-N 1 0 389.301 2.589 20 0 GFADRO CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000420099290 563257946 /nfs/dbraw/zinc/25/79/46/563257946.db2.gz KCIDNHWNGSAFFZ-GOSISDBHSA-N 1 0 386.323 2.848 20 0 GFADRO Cn1ncc(Br)c1CNc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000278501009 563259777 /nfs/dbraw/zinc/25/97/77/563259777.db2.gz NQLFRTOMWIRBJE-UHFFFAOYSA-N 1 0 379.302 2.669 20 0 GFADRO C[C@H](COc1ccc(Cl)c(Cl)c1)[NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000295732812 563260436 /nfs/dbraw/zinc/26/04/36/563260436.db2.gz OINAWFVAEHZAGA-NEPJUHHUSA-N 1 0 381.325 2.632 20 0 GFADRO O=C(CN1CC[C@@H]2C[NH2+]C[C@@H]21)Nc1ccc(Br)c(C(F)(F)F)c1 ZINC000420345285 563262098 /nfs/dbraw/zinc/26/20/98/563262098.db2.gz VREIZVGHPCHUDB-RNCFNFMXSA-N 1 0 392.219 2.700 20 0 GFADRO [NH3+][C@H]1CCC[C@@H](CNc2ncnc3cccc(I)c32)C1 ZINC000420294832 563262125 /nfs/dbraw/zinc/26/21/25/563262125.db2.gz ZPGXMLZMDRFUNJ-MNOVXSKESA-N 1 0 382.249 3.164 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH2+]C[C@]1(O)CCO[C@@H]1C ZINC000278589128 563262507 /nfs/dbraw/zinc/26/25/07/563262507.db2.gz GQVUDBXTAXGSGT-RDTXWAMCSA-N 1 0 394.313 2.881 20 0 GFADRO C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420408940 563262757 /nfs/dbraw/zinc/26/27/57/563262757.db2.gz QDMCCJQEQJEFDZ-IJEWVQPXSA-N 1 0 382.346 2.713 20 0 GFADRO C[C@H](CNC(=O)c1cc(Cl)cc(Br)c1F)N1CC[NH+](C)CC1 ZINC000278621856 563263268 /nfs/dbraw/zinc/26/32/68/563263268.db2.gz PCHZQABCJWJVTC-SNVBAGLBSA-N 1 0 392.700 2.607 20 0 GFADRO Cc1cc(Br)c(S(=O)(=O)N2CCCC[C@@H]2[C@H]2CC[NH2+]C2)s1 ZINC000420457271 563263617 /nfs/dbraw/zinc/26/36/17/563263617.db2.gz HUASINFOWHUIMW-WCQYABFASA-N 1 0 393.372 2.972 20 0 GFADRO COc1cc(Br)c(S(=O)(=O)NCCC[NH2+]C2CC2)cc1Cl ZINC000420454198 563263887 /nfs/dbraw/zinc/26/38/87/563263887.db2.gz WABBFKKDPXTQHT-UHFFFAOYSA-N 1 0 397.722 2.532 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]CCCSC ZINC000295810696 563263948 /nfs/dbraw/zinc/26/39/48/563263948.db2.gz UCNSBWNQQQGEGK-NSHDSACASA-N 1 0 375.332 2.805 20 0 GFADRO Cn1cc(N2CC[C@H]([NH2+][C@@H]3CCc4c3ccc(F)c4Br)C2=O)cn1 ZINC000295829059 563264597 /nfs/dbraw/zinc/26/45/97/563264597.db2.gz VFPVVRUOTKUBFC-CABCVRRESA-N 1 0 393.260 2.704 20 0 GFADRO Cn1ncc(Br)c1C(=O)NC[C@@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000295827724 563264794 /nfs/dbraw/zinc/26/47/94/563264794.db2.gz VTQLSOAZXZXEEO-INIZCTEOSA-N 1 0 391.313 2.823 20 0 GFADRO Cn1cc(N2CC[C@@H]([NH2+][C@H]3CCc4c3ccc(F)c4Br)C2=O)cn1 ZINC000295829069 563264820 /nfs/dbraw/zinc/26/48/20/563264820.db2.gz VFPVVRUOTKUBFC-LSDHHAIUSA-N 1 0 393.260 2.704 20 0 GFADRO Cc1cc(F)c(Br)cc1S(=O)(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420483797 563265801 /nfs/dbraw/zinc/26/58/01/563265801.db2.gz WVHZAHZYROXCQY-KOLCDFICSA-N 1 0 379.295 2.502 20 0 GFADRO C[C@H]1CCN(S(=O)(=O)c2cccc(Br)c2Cl)C[C@@H]1C[NH3+] ZINC000420477457 563265979 /nfs/dbraw/zinc/26/59/79/563265979.db2.gz JVIDJWRTBFAVSW-UWVGGRQHSA-N 1 0 381.723 2.708 20 0 GFADRO NC(=O)c1csc(C[NH2+][C@@H]2CCN(c3cccc(Br)c3)C2)c1 ZINC000278705337 563267774 /nfs/dbraw/zinc/26/77/74/563267774.db2.gz JYHJHNAYFNNCDV-CYBMUJFWSA-N 1 0 380.311 2.978 20 0 GFADRO C[C@H]1CN(C(=O)c2ccc(Br)s2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000371219998 563269110 /nfs/dbraw/zinc/26/91/10/563269110.db2.gz OJEGDMHWYORAIR-STQMWFEESA-N 1 0 386.359 2.609 20 0 GFADRO O=C(Cc1cccc(I)c1)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000371233610 563269340 /nfs/dbraw/zinc/26/93/40/563269340.db2.gz ZNHLQGJPSYWKGC-ZBFHGGJFSA-N 1 0 398.288 2.824 20 0 GFADRO O=C(CNC(=O)c1ccc(Cl)c(Cl)c1)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000371238943 563270130 /nfs/dbraw/zinc/27/01/30/563270130.db2.gz YGNKZEDSFIBZGG-CJNGLKHVSA-N 1 0 384.307 2.714 20 0 GFADRO O=C([C@H](O)c1cc(Cl)cc(Cl)c1)N1CCC[N@@H+](C2CCOCC2)CC1 ZINC000371274576 563270354 /nfs/dbraw/zinc/27/03/54/563270354.db2.gz GCVZFGHRRJDHSN-QGZVFWFLSA-N 1 0 387.307 2.740 20 0 GFADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C[C@@H](O)c1ccccc1Br ZINC000278792101 563270555 /nfs/dbraw/zinc/27/05/55/563270555.db2.gz YEUJKKKJZLKFEO-RDTXWAMCSA-N 1 0 383.330 2.668 20 0 GFADRO O=C1C[C@H]([C@@H]2CCCC[N@H+]2Cc2nnc(-c3ccc(Br)o3)o2)CN1 ZINC000371298577 563271547 /nfs/dbraw/zinc/27/15/47/563271547.db2.gz XGKROLIABPQMDQ-QWRGUYRKSA-N 1 0 395.257 2.583 20 0 GFADRO O=C(NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1ncsc1C(F)(F)F ZINC000278822556 563272187 /nfs/dbraw/zinc/27/21/87/563272187.db2.gz IZSQQPPZDPPJGJ-NWDGAFQWSA-N 1 0 377.432 2.660 20 0 GFADRO O=S(=O)(CC[NH2+][C@@H]1CCCc2nc(Cl)ccc21)NCc1ccccc1 ZINC000296057306 563272689 /nfs/dbraw/zinc/27/26/89/563272689.db2.gz RLEDYGZHGMSBLP-MRXNPFEDSA-N 1 0 379.913 2.822 20 0 GFADRO C[C@@]1(C[C@@H]2CCC[N@@H+]2Cc2cccc(Br)c2F)NC(=O)NC1=O ZINC000296054715 563273045 /nfs/dbraw/zinc/27/30/45/563273045.db2.gz OXJLSCKQDVSNKW-ZBEGNZNMSA-N 1 0 384.249 2.541 20 0 GFADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)Nc1ccncc1Br ZINC000278865979 563274131 /nfs/dbraw/zinc/27/41/31/563274131.db2.gz NSERBGZRSPXLHS-LBPRGKRZSA-N 1 0 383.290 2.561 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2Cc1cnc2ccc(Br)cn12 ZINC000371470952 563278345 /nfs/dbraw/zinc/27/83/45/563278345.db2.gz PTKAKHBOEHHRAF-OIISXLGYSA-N 1 0 393.329 2.780 20 0 GFADRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1S(=O)(=O)c1cc(F)ccc1OC(F)F ZINC000420726187 563279575 /nfs/dbraw/zinc/27/95/75/563279575.db2.gz MWCDKSJVZRDHPH-AAEUAGOBSA-N 1 0 378.416 2.674 20 0 GFADRO COc1cc(C(=O)N2CC[C@H]([NH+]3CCCC3)C2)cc(OC)c1Br ZINC000371516028 563279829 /nfs/dbraw/zinc/27/98/29/563279829.db2.gz FDSVDOJRIHUNQJ-ZDUSSCGKSA-N 1 0 383.286 2.777 20 0 GFADRO CCc1n[nH]c(C(=O)NC2CC[NH+](Cc3cccnc3)CC2)c1Br ZINC000279022136 563280360 /nfs/dbraw/zinc/28/03/60/563280360.db2.gz LZZMRPKCHVUGGN-UHFFFAOYSA-N 1 0 392.301 2.524 20 0 GFADRO Cc1nn(C)c(C[NH2+]CCc2nc3c(cccc3F)n2C)c1Br ZINC000279060770 563282542 /nfs/dbraw/zinc/28/25/42/563282542.db2.gz FFMYVMIDPDANMD-UHFFFAOYSA-N 1 0 380.265 2.849 20 0 GFADRO COC[C@H]([NH2+]CC(=O)Nc1ccc(Br)cc1Cl)[C@@H]1CCCO1 ZINC000279086327 563283216 /nfs/dbraw/zinc/28/32/16/563283216.db2.gz ORNFLYGKZSATIC-KBPBESRZSA-N 1 0 391.693 2.825 20 0 GFADRO CN(C[C@H]1CCC[N@@H+]1C)S(=O)(=O)c1cc(Br)sc1Cl ZINC000420759937 563284281 /nfs/dbraw/zinc/28/42/81/563284281.db2.gz FCPHUPCCLOQVMY-MRVPVSSYSA-N 1 0 387.752 2.879 20 0 GFADRO O=C(Nc1cc(Br)ccc1F)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000371660642 563284636 /nfs/dbraw/zinc/28/46/36/563284636.db2.gz RVMVSSXIBZUZPA-LSDHHAIUSA-N 1 0 386.265 2.651 20 0 GFADRO CN1C(=O)C[C@@H](C(=O)NC[C@H](c2cccs2)[NH+](C)C)[C@@H]1c1cccs1 ZINC000371706051 563285245 /nfs/dbraw/zinc/28/52/45/563285245.db2.gz IACOPENCRCAGGD-PBFPGSCMSA-N 1 0 377.535 2.748 20 0 GFADRO Cc1ccc(C[NH2+][C@@H](C)CC(=O)Nc2cccc(Br)c2)c(=O)n1C ZINC000279155654 563285870 /nfs/dbraw/zinc/28/58/70/563285870.db2.gz AYBJUHIBAKPKDE-LBPRGKRZSA-N 1 0 392.297 2.963 20 0 GFADRO Cc1ccc(F)c(C(=O)NCCN2CCC([NH+](C)C)CC2)c1Br ZINC000279223195 563288430 /nfs/dbraw/zinc/28/84/30/563288430.db2.gz QLBIDLSLCANEHC-UHFFFAOYSA-N 1 0 386.309 2.652 20 0 GFADRO Cn1cc([C@H]2[C@H](CNC(=O)c3occc3Br)CCC[N@@H+]2C)cn1 ZINC000371919070 563290812 /nfs/dbraw/zinc/29/08/12/563290812.db2.gz RQQPKWSRDNDXGS-SMDDNHRTSA-N 1 0 381.274 2.589 20 0 GFADRO CNC(=O)[C@@H]1CC[N@H+](CCCC(=O)Nc2c(C)cc(Br)cc2C)C1 ZINC000420968576 563292016 /nfs/dbraw/zinc/29/20/16/563292016.db2.gz CFLDKQKOKQLODJ-CQSZACIVSA-N 1 0 396.329 2.853 20 0 GFADRO CC(C)[C@H](C[NH2+]C1CCN(S(=O)(=O)c2cccs2)CC1)N1CCCC1 ZINC000371986072 563292605 /nfs/dbraw/zinc/29/26/05/563292605.db2.gz XKXPHAWRRGIGFD-KRWDZBQOSA-N 1 0 385.599 2.611 20 0 GFADRO CS(=O)(=O)c1ccc(-c2nc(C[NH2+][C@@H]3CCC[C@H]3CCO)cs2)cc1 ZINC000279345464 563293834 /nfs/dbraw/zinc/29/38/34/563293834.db2.gz VDRJNHBSCRKJMI-SUMWQHHRSA-N 1 0 380.535 2.854 20 0 GFADRO COC1([C@@H](C)[NH2+]CC(=O)N[C@H](C)c2ccc(Br)cc2)CCOCC1 ZINC000421039366 563294198 /nfs/dbraw/zinc/29/41/98/563294198.db2.gz VHCFKQFQULJMFL-ZIAGYGMSSA-N 1 0 399.329 2.800 20 0 GFADRO CC(C)[C@H](C(=O)NCc1nc(-c2cccc(Br)c2)no1)[NH+](C)C ZINC000279380907 563294666 /nfs/dbraw/zinc/29/46/66/563294666.db2.gz QRQMIRWYOYDBNS-CQSZACIVSA-N 1 0 381.274 2.702 20 0 GFADRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)Nc1ccc(S(C)(=O)=O)c(C(F)F)c1 ZINC000421082108 563295609 /nfs/dbraw/zinc/29/56/09/563295609.db2.gz BXGXSWZAFNSMPA-LBPRGKRZSA-N 1 0 375.441 2.586 20 0 GFADRO COc1cc(Br)c(CNC(=O)C23CCC[NH+]2CCC3)cc1OC ZINC000279411929 563295719 /nfs/dbraw/zinc/29/57/19/563295719.db2.gz KNTMQBZHBNNTNS-UHFFFAOYSA-N 1 0 383.286 2.711 20 0 GFADRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)Nc1cccc(F)c1I ZINC000421079568 563295895 /nfs/dbraw/zinc/29/58/95/563295895.db2.gz BWNKHTGNLLTVBO-SNVBAGLBSA-N 1 0 391.228 2.988 20 0 GFADRO O=C(Cc1cc(F)ccc1Br)NC[C@@H]1CCC[C@H]1[NH+]1CCOCC1 ZINC000372111316 563296065 /nfs/dbraw/zinc/29/60/65/563296065.db2.gz QRUCTIMPTBTCTP-SUMWQHHRSA-N 1 0 399.304 2.748 20 0 GFADRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)NCc1ccc(S(=O)(=O)CC)s1 ZINC000279502532 563298969 /nfs/dbraw/zinc/29/89/69/563298969.db2.gz KFQWISDMGHPXPI-AWEZNQCLSA-N 1 0 387.571 2.605 20 0 GFADRO C[C@@H]1C[N@@H+](CCCNC(=O)c2c[nH]c3ncc(Br)cc23)C[C@H](C)O1 ZINC000279526465 563299634 /nfs/dbraw/zinc/29/96/34/563299634.db2.gz TZFWTWABADNNJC-TXEJJXNPSA-N 1 0 395.301 2.555 20 0 GFADRO Cc1ccc(CCC(=O)N2CCN([C@H]3CCOC3)CC2)c(Br)c1 ZINC000372241123 563299910 /nfs/dbraw/zinc/29/99/10/563299910.db2.gz MGYUZEWNKCQGOU-INIZCTEOSA-N 1 0 381.314 2.623 20 0 GFADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[N@@H+]1CCC[C@@](C)(O)CC1 ZINC000296782279 563301794 /nfs/dbraw/zinc/30/17/94/563301794.db2.gz LWLKKEKHWRHMQI-FZKQIMNGSA-N 1 0 399.329 2.699 20 0 GFADRO COC(=O)C[C@@H]1CC[C@H]([NH2+][C@@H](C(N)=O)c2cccc(Br)c2)[C@@H]1C ZINC000279609929 563302630 /nfs/dbraw/zinc/30/26/30/563302630.db2.gz FMKJTNUVNYSNKS-PSHZPRKYSA-N 1 0 383.286 2.543 20 0 GFADRO O=C(NCCC[NH2+][C@@H]1CCS(=O)(=O)c2c(F)cccc21)c1cccs1 ZINC000372353256 563303409 /nfs/dbraw/zinc/30/34/09/563303409.db2.gz DHXRUPOFKJOKFN-CQSZACIVSA-N 1 0 382.482 2.515 20 0 GFADRO Cc1cc(Br)ccc1C[NH2+]C[C@@H]1CC(=O)N(C)[C@H]1c1cnn(C)c1 ZINC000372390362 563304873 /nfs/dbraw/zinc/30/48/73/563304873.db2.gz TUDNTOIGOLSDKA-KBXCAEBGSA-N 1 0 391.313 2.800 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)C(=O)NC1CCC([NH+](C)C)CC1 ZINC000421285704 563305202 /nfs/dbraw/zinc/30/52/02/563305202.db2.gz CJPWPEHOLFKLOR-UHFFFAOYSA-N 1 0 382.302 2.685 20 0 GFADRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)Nc1cc(Cl)cc(Br)c1 ZINC000421297125 563305732 /nfs/dbraw/zinc/30/57/32/563305732.db2.gz DLWXWWXEOQDFQS-CYBMUJFWSA-N 1 0 388.693 2.594 20 0 GFADRO CCOC(=O)C1CCC([NH2+][C@@H](C(N)=O)c2cccc(Br)c2)CC1 ZINC000279723815 563307350 /nfs/dbraw/zinc/30/73/50/563307350.db2.gz UYAUVLSLWDOPSJ-WDIPEOLASA-N 1 0 383.286 2.687 20 0 GFADRO Cc1cc(C(=O)N(CCC[NH+](C)C)[C@@H]2CCS(=O)(=O)C2)c(C)cc1Cl ZINC000279718915 563307459 /nfs/dbraw/zinc/30/74/59/563307459.db2.gz BNVNONBVTBDOPK-OAHLLOKOSA-N 1 0 386.945 2.538 20 0 GFADRO Cc1ncsc1CCS(=O)(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000296918179 563308155 /nfs/dbraw/zinc/30/81/55/563308155.db2.gz WPQFZSMPJZTQOM-QGZVFWFLSA-N 1 0 379.551 2.578 20 0 GFADRO CCC[NH+]1CCC(N(C)C(=O)Nc2nc3cc(Br)ccn3n2)CC1 ZINC000296917036 563308411 /nfs/dbraw/zinc/30/84/11/563308411.db2.gz BGPCBBJYUJSHRN-UHFFFAOYSA-N 1 0 395.305 2.830 20 0 GFADRO C[C@@H](NC(=O)N1CCC[N@H+](CC(C)(C)O)CC1)c1ccccc1Br ZINC000372492634 563308539 /nfs/dbraw/zinc/30/85/39/563308539.db2.gz SDTQXINPOWHPER-CQSZACIVSA-N 1 0 398.345 2.998 20 0 GFADRO NC(=O)[C@H]1CC[C@H](C[NH2+]Cc2cn(-c3cccc(Cl)c3Cl)nn2)CC1 ZINC000421359646 563308769 /nfs/dbraw/zinc/30/87/69/563308769.db2.gz GNHXAKLVWNVOEX-HAQNSBGRSA-N 1 0 382.295 2.955 20 0 GFADRO COC[C@@H]1CN(C(=O)C2CC[NH+](Cc3ccc(Cl)s3)CC2)C[C@H](C)O1 ZINC000372516287 563309156 /nfs/dbraw/zinc/30/91/56/563309156.db2.gz XKEFMPRDPOSHOG-ZFWWWQNUSA-N 1 0 386.945 2.876 20 0 GFADRO CN1CCC[C@]2(CC[N@H+](C[C@@H](O)COc3cc(Cl)ccc3Cl)C2)C1=O ZINC000372553781 563310015 /nfs/dbraw/zinc/31/00/15/563310015.db2.gz BYHNMMGMMFRZMC-RDTXWAMCSA-N 1 0 387.307 2.677 20 0 GFADRO COc1ccc(C(=O)N(C)[C@H]2CCC[NH2+]CC2)c(I)c1 ZINC000372573375 563311358 /nfs/dbraw/zinc/31/13/58/563311358.db2.gz LUIYMWRRMHTUHA-NSHDSACASA-N 1 0 388.249 2.514 20 0 GFADRO CN1CCC[C@]2(CC[N@H+](CCC(=O)Nc3cccc(Br)c3)C2)C1=O ZINC000372558054 563311359 /nfs/dbraw/zinc/31/13/59/563311359.db2.gz QWKXHONJVUJVBG-GOSISDBHSA-N 1 0 394.313 2.722 20 0 GFADRO CCS(=O)(=O)c1ccc(C[NH2+][C@H](C)c2ccc(-n3cncn3)cc2)s1 ZINC000279986909 563317897 /nfs/dbraw/zinc/31/78/97/563317897.db2.gz DZWXAZNNGRWXQK-CYBMUJFWSA-N 1 0 376.507 2.973 20 0 GFADRO Cc1ncc(C(=O)N2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)c(Cl)c1Cl ZINC000372854325 563319445 /nfs/dbraw/zinc/31/94/45/563319445.db2.gz DAMMZQURPZKGFG-IUODEOHRSA-N 1 0 385.339 2.795 20 0 GFADRO C[C@H](NCC1=CC[N@H+](C)CC1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000280032565 563319574 /nfs/dbraw/zinc/31/95/74/563319574.db2.gz IFZFVIKEVGSMJZ-JTQLQIEISA-N 1 0 378.325 2.553 20 0 GFADRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)c1cnn(-c2cccc(Br)c2)c1 ZINC000421702779 563319933 /nfs/dbraw/zinc/31/99/33/563319933.db2.gz KSKFIFKWCGRULE-INIZCTEOSA-N 1 0 377.286 2.801 20 0 GFADRO CC[C@@H](COCC(F)(F)F)[NH2+][C@@H]1CCCc2ccc(S(N)(=O)=O)cc21 ZINC000297232788 563320797 /nfs/dbraw/zinc/32/07/97/563320797.db2.gz IADUTJYEDNAVNR-SWLSCSKDSA-N 1 0 380.432 2.659 20 0 GFADRO CC[NH+](CC)Cc1ccccc1CNC(=O)c1ccc(S(C)(=O)=O)s1 ZINC000421741606 563321338 /nfs/dbraw/zinc/32/13/38/563321338.db2.gz PGYPQOCLTKFAAZ-UHFFFAOYSA-N 1 0 380.535 2.923 20 0 GFADRO C[C@@H](Cn1cccn1)[NH2+][C@@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000280140284 563324297 /nfs/dbraw/zinc/32/42/97/563324297.db2.gz PQNQPVWZOLJVAQ-UWVGGRQHSA-N 1 0 377.297 2.577 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+]C[C@@H](CO)[C@H]1CCOC1 ZINC000280174834 563325765 /nfs/dbraw/zinc/32/57/65/563325765.db2.gz BULHTWUPIWISIZ-HOCLYGCPSA-N 1 0 394.313 2.678 20 0 GFADRO Cc1ccc(-n2nc(Br)cc2C(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)cc1 ZINC000373045318 563327246 /nfs/dbraw/zinc/32/72/46/563327246.db2.gz XKUUVRVQFWUVCB-UKRRQHHQSA-N 1 0 389.297 2.767 20 0 GFADRO C[NH+](C)C[C@@H]1CCN(C(=O)NCCC(=O)Nc2cc(Cl)cc(Cl)c2)C1 ZINC000297497030 563327979 /nfs/dbraw/zinc/32/79/79/563327979.db2.gz NVYBIBDFJFWSGQ-LBPRGKRZSA-N 1 0 387.311 2.915 20 0 GFADRO O=C(c1cc(=O)[nH]c2c(Br)cccc12)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000373065366 563327990 /nfs/dbraw/zinc/32/79/90/563327990.db2.gz GJLDGYHGFWTYRQ-IINYFYTJSA-N 1 0 376.254 2.527 20 0 GFADRO C[C@H]1CCN(C(=O)NCc2c(Cl)cccc2-n2ccnc2)CC[S@]1=O ZINC000297591496 563330686 /nfs/dbraw/zinc/33/06/86/563330686.db2.gz MSTIZNWQJHORRC-ZJWNCGCPSA-N 1 0 380.901 2.578 20 0 GFADRO O=C(Nc1c(F)cc(F)cc1Br)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000297610229 563330850 /nfs/dbraw/zinc/33/08/50/563330850.db2.gz AJRJFVPXHXCJRV-NSHDSACASA-N 1 0 392.244 2.696 20 0 GFADRO C[C@@H]([NH2+]CC[C@@H]1CCCCO1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000280391855 563335085 /nfs/dbraw/zinc/33/50/85/563335085.db2.gz AOMVSJUEEFMYHT-YPMHNXCESA-N 1 0 391.331 2.706 20 0 GFADRO C[C@H]([NH2+]CC[C@H]1CCCCO1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000280391852 563335145 /nfs/dbraw/zinc/33/51/45/563335145.db2.gz AOMVSJUEEFMYHT-WCQYABFASA-N 1 0 391.331 2.706 20 0 GFADRO Cc1cc(Br)ccc1C(=O)N1CCC([NH2+][C@H](C)[C@H](C)CO)CC1 ZINC000373386915 563336658 /nfs/dbraw/zinc/33/66/58/563336658.db2.gz YSIFVSPLDCJXFF-ZIAGYGMSSA-N 1 0 383.330 2.969 20 0 GFADRO OC[C@@H]([NH2+]CCn1ccnc1)c1ccc(Br)cc1C(F)(F)F ZINC000280495430 563339793 /nfs/dbraw/zinc/33/97/93/563339793.db2.gz BOZRAUHBKAXWBB-CYBMUJFWSA-N 1 0 378.192 2.988 20 0 GFADRO CN(Cc1c(Cl)cccc1Cl)C(=O)C(=O)NCCCC[N@H+](C)C1CC1 ZINC000422452359 563339825 /nfs/dbraw/zinc/33/98/25/563339825.db2.gz GHQAKOYHAOSUOJ-UHFFFAOYSA-N 1 0 386.323 2.942 20 0 GFADRO C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1NC(=O)c1csc(C(F)(F)F)n1 ZINC000373508986 563340681 /nfs/dbraw/zinc/34/06/81/563340681.db2.gz NFVKHPUJUNUJOH-WOPDTQHZSA-N 1 0 377.432 2.781 20 0 GFADRO Cc1[nH]c(=O)c(C(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)cc1Br ZINC000373514878 563340821 /nfs/dbraw/zinc/34/08/21/563340821.db2.gz WCPAJMLJLAGFSG-ZDUSSCGKSA-N 1 0 382.302 2.662 20 0 GFADRO Cn1ccnc1N1CCC(NC(=O)Cc2ccc(Br)c(F)c2)CC1 ZINC000373511131 563341004 /nfs/dbraw/zinc/34/10/04/563341004.db2.gz ZFHDRCYPPVFKNK-UHFFFAOYSA-N 1 0 395.276 2.649 20 0 GFADRO CC(C)C[NH+]1CCC(NC(=O)C(=O)Nc2cc(Cl)c(N)c(Cl)c2)CC1 ZINC000297984806 563341623 /nfs/dbraw/zinc/34/16/23/563341623.db2.gz WLKULHZUVBHHFM-UHFFFAOYSA-N 1 0 387.311 2.751 20 0 GFADRO CNC(=O)[C@]1(C)CC[N@H+](CC(=O)Nc2ccc(Cl)cc2C(F)(F)F)C1 ZINC000280536146 563341801 /nfs/dbraw/zinc/34/18/01/563341801.db2.gz DEGQXMKPKYVOPP-OAHLLOKOSA-N 1 0 377.794 2.755 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1cnnn1-c1c(Cl)cccc1Cl ZINC000373552105 563342108 /nfs/dbraw/zinc/34/21/08/563342108.db2.gz NRPLHCXHCNXEQP-NEPJUHHUSA-N 1 0 380.279 2.931 20 0 GFADRO CC(C)(CC[NH3+])NS(=O)(=O)c1ccc(Br)cc1C(F)(F)F ZINC000422550847 563342627 /nfs/dbraw/zinc/34/26/27/563342627.db2.gz CCKWWYWNIBFKSI-UHFFFAOYSA-N 1 0 389.237 2.874 20 0 GFADRO O=C(N[C@H]1COc2cc(F)c(Br)cc21)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000373584905 563342984 /nfs/dbraw/zinc/34/29/84/563342984.db2.gz WBKHNFYOHWLQON-ZETOZRRWSA-N 1 0 398.276 2.948 20 0 GFADRO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@H]1N2C(=O)c1c(Br)cnn1C ZINC000298098652 563344755 /nfs/dbraw/zinc/34/47/55/563344755.db2.gz NRZSTLVPQUSHDY-CZUORRHYSA-N 1 0 389.297 2.939 20 0 GFADRO CCN(C(=O)C[NH2+][C@H](c1ccc(Cl)cc1)C(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000298102508 563344960 /nfs/dbraw/zinc/34/49/60/563344960.db2.gz RMDPFYAVAJCERM-AEFFLSMTSA-N 1 0 386.945 2.662 20 0 GFADRO COc1cc(C(=O)N2c3ccccc3C[C@@H]2C[NH3+])cc(Br)c1OC ZINC000422626117 563345371 /nfs/dbraw/zinc/34/53/71/563345371.db2.gz IUXDIUGWYBLXEO-CYBMUJFWSA-N 1 0 391.265 2.997 20 0 GFADRO CCOC(=O)[C@H]1NCC[C@@H]1[NH2+]CC1(c2cccc(Br)c2)CCC1 ZINC000422739372 563348493 /nfs/dbraw/zinc/34/84/93/563348493.db2.gz LIDVWXHQTFYAEY-HOTGVXAUSA-N 1 0 381.314 2.754 20 0 GFADRO C[C@H](C[C@@H]1COCCN1)[NH2+]CC1(c2ccc(Br)cc2)CCOCC1 ZINC000422884408 563349534 /nfs/dbraw/zinc/34/95/34/563349534.db2.gz WULOCDPMHPMSDJ-CRAIPNDOSA-N 1 0 397.357 2.854 20 0 GFADRO C[C@H](C[C@H]1COCCN1)[NH2+]C1CCN(Cc2ccc(Br)cc2)CC1 ZINC000422889289 563350203 /nfs/dbraw/zinc/35/02/03/563350203.db2.gz FPGHFFXYKAFSRZ-BEFAXECRSA-N 1 0 396.373 2.770 20 0 GFADRO CC(C)[C@H](C(=O)NCc1nnc2c(Cl)cc(C(F)(F)F)cn12)[C@H](C)[NH3+] ZINC000422933892 563350927 /nfs/dbraw/zinc/35/09/27/563350927.db2.gz ISHUQJXEJOOYLW-UFBFGSQYSA-N 1 0 377.798 2.637 20 0 GFADRO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000423000344 563352270 /nfs/dbraw/zinc/35/22/70/563352270.db2.gz GORPUUZVENNBID-SFHVURJKSA-N 1 0 384.307 2.554 20 0 GFADRO CN(Cc1c(Cl)cccc1Cl)C(=O)C(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000298355278 563352346 /nfs/dbraw/zinc/35/23/46/563352346.db2.gz QZQUADFSOLJZGF-GOSISDBHSA-N 1 0 384.307 2.506 20 0 GFADRO COc1cc(Br)ccc1CCC[NH2+][C@@H](C1CC1)[C@@H]1CNCCO1 ZINC000423036536 563352952 /nfs/dbraw/zinc/35/29/52/563352952.db2.gz UHCCSTKQFPRGCD-ROUUACIJSA-N 1 0 383.330 2.747 20 0 GFADRO CN(CC(C)(C)C[NH3+])C(=O)C(=O)N(Cc1cccs1)Cc1cccs1 ZINC000423020318 563352970 /nfs/dbraw/zinc/35/29/70/563352970.db2.gz ZXGAOHSTDBDOQS-UHFFFAOYSA-N 1 0 379.551 2.782 20 0 GFADRO CC(=O)NCc1ccc(-c2nc(NC(=O)CC3(C[NH3+])CC3)sc2C)s1 ZINC000423012640 563353258 /nfs/dbraw/zinc/35/32/58/563353258.db2.gz DJOUNEKFWTXMNL-UHFFFAOYSA-N 1 0 378.523 2.884 20 0 GFADRO CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000423013226 563353474 /nfs/dbraw/zinc/35/34/74/563353474.db2.gz MHOGNBZEGHEYRU-UONOGXRCSA-N 1 0 383.945 2.598 20 0 GFADRO CC(C)[C@H](C(=O)N1CCN(C(=O)c2c(Cl)cccc2Cl)CC1)[C@@H](C)[NH3+] ZINC000423066741 563353634 /nfs/dbraw/zinc/35/36/34/563353634.db2.gz XRFSZSJASJWOSA-DOMZBBRYSA-N 1 0 386.323 2.897 20 0 GFADRO CN(Cc1c(Cl)cccc1Cl)C(=O)C(=O)N(C)CC1CC[NH+](C)CC1 ZINC000298440901 563355293 /nfs/dbraw/zinc/35/52/93/563355293.db2.gz VFWXGQPAAPWGPU-UHFFFAOYSA-N 1 0 386.323 2.752 20 0 GFADRO CN(Cc1c(Cl)cccc1Cl)C(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000423096620 563355453 /nfs/dbraw/zinc/35/54/53/563355453.db2.gz HVIDHNRCHPHARU-HWWQOWPSSA-N 1 0 384.307 2.538 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)[C@H]1C[C@@H](C)CC[NH2+]1 ZINC000423114319 563356009 /nfs/dbraw/zinc/35/60/09/563356009.db2.gz VENSYUAIETUFAV-XHDPSFHLSA-N 1 0 382.302 2.590 20 0 GFADRO COc1cc(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc(OC)c1Br ZINC000373940429 563356094 /nfs/dbraw/zinc/35/60/94/563356094.db2.gz YAQVATBIKKSEQY-CHWSQXEVSA-N 1 0 383.286 2.823 20 0 GFADRO C[C@@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)C(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000423118123 563356202 /nfs/dbraw/zinc/35/62/02/563356202.db2.gz YVXZTTZZMCLCPT-DYEKYZERSA-N 1 0 386.323 2.956 20 0 GFADRO Brc1cccc2[nH]cc(CC[NH2+][C@H](C3CC3)[C@H]3CNCCO3)c21 ZINC000423121188 563356218 /nfs/dbraw/zinc/35/62/18/563356218.db2.gz IDZZYZGWSOLTAF-SJLPKXTDSA-N 1 0 378.314 2.830 20 0 GFADRO Cc1ccc(F)c(NC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)c1Br ZINC000280833347 563356619 /nfs/dbraw/zinc/35/66/19/563356619.db2.gz WEOXQRHNPWBVOT-CHWSQXEVSA-N 1 0 398.276 2.578 20 0 GFADRO CN(CC(C)(C)C[NH3+])C(=O)C(=O)N1CCC[C@@H]1c1ccc(Br)cc1 ZINC000423172896 563357910 /nfs/dbraw/zinc/35/79/10/563357910.db2.gz VWFJIAPEKLXQOB-OAHLLOKOSA-N 1 0 396.329 2.556 20 0 GFADRO O=C1CCCN1CC[NH2+][C@H](CO)c1ccc(Br)cc1C(F)(F)F ZINC000280859868 563357920 /nfs/dbraw/zinc/35/79/20/563357920.db2.gz YQIWSXGMAPZBPL-CYBMUJFWSA-N 1 0 395.219 2.713 20 0 GFADRO CCn1ccnc1[C@@H](NC[C@@H](C)C[NH3+])c1ccc(I)cc1 ZINC000423313954 563359223 /nfs/dbraw/zinc/35/92/23/563359223.db2.gz XMAJVANKQNUXBS-WFASDCNBSA-N 1 0 398.292 2.781 20 0 GFADRO CCn1ccnc1[C@H](N[C@H](C)[C@H](C)[NH3+])c1ccc(I)cc1 ZINC000423447972 563361025 /nfs/dbraw/zinc/36/10/25/563361025.db2.gz PKLCGFUJIICESP-YWPYICTPSA-N 1 0 398.292 2.922 20 0 GFADRO [NH3+][C@@H]1C[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1cccc(Cl)c1Br ZINC000374089671 563361204 /nfs/dbraw/zinc/36/12/04/563361204.db2.gz VQSJKWAQAUVNFC-OWUUHHOZSA-N 1 0 379.707 2.745 20 0 GFADRO CC[C@@H]([NH3+])CN[C@H](c1nccn1CC)c1ccc(I)cc1 ZINC000423480495 563361384 /nfs/dbraw/zinc/36/13/84/563361384.db2.gz WDPMGSKDNIPZGZ-CABCVRRESA-N 1 0 398.292 2.924 20 0 GFADRO C[NH2+]CCCN(C)C(=O)C(=O)N1CC=C(c2ccc(Cl)c(Cl)c2)CC1 ZINC000423568505 563361910 /nfs/dbraw/zinc/36/19/10/563361910.db2.gz LQXJOBYDCSLJJA-UHFFFAOYSA-N 1 0 384.307 2.677 20 0 GFADRO O=S(=O)(c1ccc(CC(F)(F)F)cc1)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000374114686 563362597 /nfs/dbraw/zinc/36/25/97/563362597.db2.gz NDZVGRRREVPDHJ-GDBMZVCRSA-N 1 0 376.444 2.944 20 0 GFADRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)c1ccc(NC(=O)c2ccc(Br)o2)cc1 ZINC000423654683 563362741 /nfs/dbraw/zinc/36/27/41/563362741.db2.gz AXILCWWHPZUGQE-GWCFXTLKSA-N 1 0 392.253 2.856 20 0 GFADRO [NH3+]C[C@H](NC(=O)c1cnn(-c2ccc(Br)cc2)c1)C1CCCC1 ZINC000423947324 563365060 /nfs/dbraw/zinc/36/50/60/563365060.db2.gz WAWREKSHOFDEHU-INIZCTEOSA-N 1 0 377.286 2.882 20 0 GFADRO CCc1ccccc1[C@@H]([NH3+])CNC(=O)c1cc(I)c[nH]1 ZINC000423950910 563365067 /nfs/dbraw/zinc/36/50/67/563365067.db2.gz YPDWUAIEPXWQSH-ZDUSSCGKSA-N 1 0 383.233 2.612 20 0 GFADRO CC(=O)N[C@@H](CC(=O)N[C@H](C[NH3+])C1CCCC1)c1ccc(Br)cc1 ZINC000423951514 563365137 /nfs/dbraw/zinc/36/51/37/563365137.db2.gz ZAMIZFIUFOIOAJ-DLBZAZTESA-N 1 0 396.329 2.650 20 0 GFADRO [NH3+]C[C@@H](NC(=O)c1cnn(-c2ccc(Br)cc2)c1)C1CCCC1 ZINC000423947328 563365169 /nfs/dbraw/zinc/36/51/69/563365169.db2.gz WAWREKSHOFDEHU-MRXNPFEDSA-N 1 0 377.286 2.882 20 0 GFADRO [NH3+]Cc1cn([C@@H]2CCCN(C(=O)c3ccc(Cl)cc3Br)C2)nn1 ZINC000424001066 563367309 /nfs/dbraw/zinc/36/73/09/563367309.db2.gz MQAZSQLCJDBDGA-GFCCVEGCSA-N 1 0 398.692 2.630 20 0 GFADRO Cc1cc(C(=O)N2CCCO[C@H](C[NH3+])C2)nn1-c1ccc(Cl)c(Cl)c1 ZINC000424028294 563367979 /nfs/dbraw/zinc/36/79/79/563367979.db2.gz WVGVVBQHFRMILE-CYBMUJFWSA-N 1 0 383.279 2.677 20 0 GFADRO C[C@@H]1C[C@@H](C)N(C(=O)Cc2cccc(I)c2)C[C@@H]1C[NH3+] ZINC000424055223 563368704 /nfs/dbraw/zinc/36/87/04/563368704.db2.gz RAIHOJXXRZOBNE-BZPMIXESSA-N 1 0 386.277 2.666 20 0 GFADRO COc1cc(C(=O)N2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)cc(Br)c1OC ZINC000424080193 563369980 /nfs/dbraw/zinc/36/99/80/563369980.db2.gz VIJNPMZEEBLVBL-LOWVWBTDSA-N 1 0 385.302 2.912 20 0 GFADRO O=C1CNC(=O)N1CCC[NH+]1CCC(c2cccc(Br)c2)CC1 ZINC000281239984 563370677 /nfs/dbraw/zinc/37/06/77/563370677.db2.gz CTTHZXOQOHSKRP-UHFFFAOYSA-N 1 0 380.286 2.570 20 0 GFADRO C[NH+]1CCC(CCNC(=O)C(=O)Nc2cc(Cl)c(Cl)cc2F)CC1 ZINC000281329954 563373514 /nfs/dbraw/zinc/37/35/14/563373514.db2.gz AINYZBDKZCAJLM-UHFFFAOYSA-N 1 0 376.259 2.919 20 0 GFADRO CN(C[C@H](O)c1cccc(Br)c1)C(=O)NCC1([NH+](C)C)CCC1 ZINC000299047036 563373828 /nfs/dbraw/zinc/37/38/28/563373828.db2.gz UJMAWBBPCVGOBQ-HNNXBMFYSA-N 1 0 384.318 2.608 20 0 GFADRO C[C@@H]1CC2(CN1C(=O)c1ccc(I)cc1)CC[NH2+]CC2 ZINC000424229510 563374271 /nfs/dbraw/zinc/37/42/71/563374271.db2.gz ZFESTFDTWXKDCE-GFCCVEGCSA-N 1 0 384.261 2.895 20 0 GFADRO O=C(Cn1cc(Br)cn1)N1C[C@@H]2CCC[N@@H+]2Cc2ccccc21 ZINC000299134692 563375624 /nfs/dbraw/zinc/37/56/24/563375624.db2.gz DVFHEZXHBSYLSV-HNNXBMFYSA-N 1 0 375.270 2.657 20 0 GFADRO C[C@@H]([NH2+]CCCCS(C)(=O)=O)c1ccc(I)cc1 ZINC000424314196 563375712 /nfs/dbraw/zinc/37/57/12/563375712.db2.gz ZNZDAJMNVLPVIW-LLVKDONJSA-N 1 0 381.279 2.767 20 0 GFADRO O=C(NCC1CC[NH+](C[C@@H](O)c2ccc(F)cc2Cl)CC1)C(F)(F)F ZINC000281418926 563376608 /nfs/dbraw/zinc/37/66/08/563376608.db2.gz RPXZKOZESYBINO-CQSZACIVSA-N 1 0 382.785 2.903 20 0 GFADRO Cc1cc(Br)cn2c(C[NH2+][C@@H]3CCO[C@]4(CCOC4)C3)cnc12 ZINC000374626605 563377821 /nfs/dbraw/zinc/37/78/21/563377821.db2.gz AUKVGWYAJVTGPT-RHSMWYFYSA-N 1 0 380.286 2.833 20 0 GFADRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)c3cnn(-c4ccc(Br)cc4)c3)C[C@@H]21 ZINC000374623000 563377969 /nfs/dbraw/zinc/37/79/69/563377969.db2.gz MMKVQPCIGAHZDS-AFAVFJNCSA-N 1 0 389.297 2.834 20 0 GFADRO CCC[N@H+](CC)C[C@@H](C)NC(=O)C(=O)Nc1cc(Cl)c(N)c(Cl)c1 ZINC000299228762 563378685 /nfs/dbraw/zinc/37/86/85/563378685.db2.gz ILHHKWFPKXZHKS-SNVBAGLBSA-N 1 0 375.300 2.751 20 0 GFADRO CS(=O)(=O)c1cc(C(=O)N2CCC([NH+]3CCCCC3)CC2)ccc1Cl ZINC000299350594 563382229 /nfs/dbraw/zinc/38/22/29/563382229.db2.gz CGCIGGYBAVRGRF-UHFFFAOYSA-N 1 0 384.929 2.834 20 0 GFADRO O=C(Cc1noc2ccc(Br)cc21)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000424597394 563383181 /nfs/dbraw/zinc/38/31/81/563383181.db2.gz HPIJABGPLSZHII-QWHCGFSZSA-N 1 0 378.270 2.876 20 0 GFADRO O=C(Cc1noc2ccc(Br)cc21)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000424597387 563383189 /nfs/dbraw/zinc/38/31/89/563383189.db2.gz HPIJABGPLSZHII-CHWSQXEVSA-N 1 0 378.270 2.876 20 0 GFADRO NC(=O)[C@H]1CCCC[C@@H]1[NH2+]CCC(=O)Nc1ccc(Br)cc1F ZINC000299439867 563383836 /nfs/dbraw/zinc/38/38/36/563383836.db2.gz VTXCLVHGEIEDFQ-AAEUAGOBSA-N 1 0 386.265 2.551 20 0 GFADRO C[C@H](C(=O)NCCN1CC[N@H+](C)C(C)(C)C1)c1ccc(Br)s1 ZINC000281686770 563383963 /nfs/dbraw/zinc/38/39/63/563383963.db2.gz FSEKCEZKNAIBGT-LBPRGKRZSA-N 1 0 388.375 2.756 20 0 GFADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)c3cnn(-c4cccc(Br)c4)c3)[C@@H]2C1 ZINC000374921656 563385680 /nfs/dbraw/zinc/38/56/80/563385680.db2.gz YUZQHZYHJPBHTE-CXAGYDPISA-N 1 0 389.297 2.801 20 0 GFADRO CCO[C@@H](CC[NH+](C)C)CNC(=O)c1c(C)ccc(Br)c1OC ZINC000424717396 563388572 /nfs/dbraw/zinc/38/85/72/563388572.db2.gz PNHBZCMGVHNKMN-ZDUSSCGKSA-N 1 0 387.318 2.853 20 0 GFADRO Cc1sc2ncnc(SCC(=O)N3CC[C@@H]4CC[N@@H+](C)[C@H]4C3)c2c1C ZINC000375062086 563389039 /nfs/dbraw/zinc/38/90/39/563389039.db2.gz SEIJNVJXANZMJM-KBPBESRZSA-N 1 0 376.551 2.953 20 0 GFADRO Cc1sc(C(=O)NCC2(O)CC[NH+](C(C)C)CC2)cc1Br ZINC000424736412 563389307 /nfs/dbraw/zinc/38/93/07/563389307.db2.gz WLUDVXYRXHLNBA-UHFFFAOYSA-N 1 0 375.332 2.784 20 0 GFADRO C[NH+]1CCN(Cc2ccc(NC(=O)[C@@]3(C)C[C@H]3F)cc2Br)CC1 ZINC000424796301 563392158 /nfs/dbraw/zinc/39/21/58/563392158.db2.gz QHASNACPTPMTLJ-WBVHZDCISA-N 1 0 384.293 2.883 20 0 GFADRO [NH3+]CC[C@@H]1CCCN(C(=O)c2cnn(-c3cccc(Br)c3)c2)C1 ZINC000281962926 563392545 /nfs/dbraw/zinc/39/25/45/563392545.db2.gz NDMYQDSPJRCTLD-ZDUSSCGKSA-N 1 0 377.286 2.836 20 0 GFADRO Cc1sc(Br)c(C(=O)NCCN2CCC([NH+](C)C)CC2)c1C ZINC000281992807 563393087 /nfs/dbraw/zinc/39/30/87/563393087.db2.gz PQUHZFJBHVJQBX-UHFFFAOYSA-N 1 0 388.375 2.883 20 0 GFADRO CC1CC[NH+]([C@@H](CNc2ncc(S(N)(=O)=O)s2)c2cccs2)CC1 ZINC000301139312 563393814 /nfs/dbraw/zinc/39/38/14/563393814.db2.gz GJLOIYWACINLNO-LBPRGKRZSA-N 1 0 386.568 2.737 20 0 GFADRO C[C@H]1C[C@H](C)C[NH+](CCCNc2ncnc3c2c(Br)nn3C)C1 ZINC000301180996 563395916 /nfs/dbraw/zinc/39/59/16/563395916.db2.gz ZFJNXDXMBOALNN-RYUDHWBXSA-N 1 0 381.322 2.906 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCOc2c(Br)cccc21)C(=O)NC[C@@H]1CCCO1 ZINC000282104168 563397420 /nfs/dbraw/zinc/39/74/20/563397420.db2.gz PNCQJNORNXSCHU-SLEUVZQESA-N 1 0 383.286 2.546 20 0 GFADRO COCC[C@@H](CO)[NH2+]Cc1cc(Br)cc(Br)c1OC ZINC000282197690 563401782 /nfs/dbraw/zinc/40/17/82/563401782.db2.gz LEQVECOXTSGWAZ-NSHDSACASA-N 1 0 397.107 2.707 20 0 GFADRO Cc1cccc(I)c1C(=O)N1CCC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000425058741 563402729 /nfs/dbraw/zinc/40/27/29/563402729.db2.gz PHAXLHPZHPZLGW-GXTWGEPZSA-N 1 0 384.261 2.766 20 0 GFADRO C[N@@H+]1C[C@@H]2CCCN(C(=O)c3ccn(-c4cccc(Br)c4)n3)[C@@H]2C1 ZINC000425049040 563403056 /nfs/dbraw/zinc/40/30/56/563403056.db2.gz DGVCDMSXWLUAKF-SUMWQHHRSA-N 1 0 389.297 2.801 20 0 GFADRO C[C@@H]1C[C@@H](C(=O)Nc2cc(Br)ccc2N(C)CC[NH+](C)C)CO1 ZINC000425097525 563404400 /nfs/dbraw/zinc/40/44/00/563404400.db2.gz ICZPTQJYAGHDHY-CHWSQXEVSA-N 1 0 384.318 2.810 20 0 GFADRO CN(CC[NH+](C)C)c1ccc(Br)cc1NC(=O)[C@@H]1[C@@H]2CCCO[C@H]12 ZINC000425098954 563404587 /nfs/dbraw/zinc/40/45/87/563404587.db2.gz NFBCFVSRALSNMP-XKQJLSEDSA-N 1 0 396.329 2.810 20 0 GFADRO CCOc1c(Br)cc(C[NH2+][C@@H](C)C(=O)N2CCCC2)cc1OC ZINC000282280807 563405200 /nfs/dbraw/zinc/40/52/00/563405200.db2.gz QLMZHCVGNBVINF-LBPRGKRZSA-N 1 0 385.302 2.957 20 0 GFADRO O=S1(=O)CC[C@H]([NH2+]C2CCN(Cc3cnc(C4CCCC4)s3)CC2)C1 ZINC000375451101 563405795 /nfs/dbraw/zinc/40/57/95/563405795.db2.gz MJKDXZDSADLWEC-INIZCTEOSA-N 1 0 383.583 2.542 20 0 GFADRO C[C@@H](NC(=O)CN1CCC[N@@H+]([C@@H](C)CO)CC1)c1ccc(Cl)c(Cl)c1 ZINC000375481206 563406358 /nfs/dbraw/zinc/40/63/58/563406358.db2.gz DUPRBIXUGUWEDQ-UONOGXRCSA-N 1 0 388.339 2.559 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCC(=O)N[C@H]1c1cncn1C)c1cc(Br)cs1 ZINC000375507998 563408373 /nfs/dbraw/zinc/40/83/73/563408373.db2.gz LAXWWHCSTOUBRM-ZVWUFJHRSA-N 1 0 383.315 2.915 20 0 GFADRO C[C@H]1C[C@H](Nc2cnn(C)c(=O)c2Br)C[N@@H+]1Cc1ccccc1 ZINC000301640864 563408992 /nfs/dbraw/zinc/40/89/92/563408992.db2.gz YRARZPQDYTXYHH-JSGCOSHPSA-N 1 0 377.286 2.618 20 0 GFADRO CSc1nc2ncnc(NC3CC[NH+]([C@H]4CCCC[C@@H]4O)CC3)c2s1 ZINC000301679263 563410369 /nfs/dbraw/zinc/41/03/69/563410369.db2.gz FAKSLVRZKJAZHM-STQMWFEESA-N 1 0 379.555 2.988 20 0 GFADRO CCC(CC)(CCO)[NH2+]CC(=O)Nc1ccccc1I ZINC000282559344 563415150 /nfs/dbraw/zinc/41/51/50/563415150.db2.gz YGOWHYZFPZENFD-UHFFFAOYSA-N 1 0 390.265 2.761 20 0 GFADRO COc1cc2[nH+]ccc(N[C@@H](C)C3(S(C)(=O)=O)CC3)c2cc1Br ZINC000425255352 563415060 /nfs/dbraw/zinc/41/50/60/563415060.db2.gz PGLZQRHHRLUESI-JTQLQIEISA-N 1 0 399.310 2.805 20 0 GFADRO COc1cc(C[NH2+]C[C@@H]2CCN(S(=O)(=O)c3cccs3)C2)ccc1C ZINC000375751861 563416725 /nfs/dbraw/zinc/41/67/25/563416725.db2.gz XPDVXJJSHGXZJA-INIZCTEOSA-N 1 0 380.535 2.866 20 0 GFADRO OCCOC1(C[NH2+]Cc2ccc(Br)c(Cl)c2)CCOCC1 ZINC000282646455 563419348 /nfs/dbraw/zinc/41/93/48/563419348.db2.gz KVVYDFJPJHUDLX-UHFFFAOYSA-N 1 0 378.694 2.750 20 0 GFADRO C[N@@H+]1C[C@@H]2CCCN(Cc3cn(-c4ccccc4Br)nn3)[C@@H]2C1 ZINC000425359033 563419562 /nfs/dbraw/zinc/41/95/62/563419562.db2.gz RRJSPEUFZBVVEJ-SUMWQHHRSA-N 1 0 376.302 2.556 20 0 GFADRO CN1C(=O)CC[C@@H]([NH2+]Cc2ccc(Br)cc2C(F)(F)F)C1=O ZINC000425357531 563419799 /nfs/dbraw/zinc/41/97/99/563419799.db2.gz PCQQTXVCTHRZQV-LLVKDONJSA-N 1 0 379.176 2.705 20 0 GFADRO COCC(C)(C)[NH+]1CCN(C(=O)NCc2ccc(Br)s2)CC1 ZINC000425405354 563420345 /nfs/dbraw/zinc/42/03/45/563420345.db2.gz XZELCBAFOACLQC-UHFFFAOYSA-N 1 0 390.347 2.763 20 0 GFADRO CO[C@@H](C[N@H+](CCNC(C)=O)Cc1ccc(Br)s1)C1CC1 ZINC000425450535 563423200 /nfs/dbraw/zinc/42/32/00/563423200.db2.gz YMPLPQQONZSYON-AWEZNQCLSA-N 1 0 375.332 2.874 20 0 GFADRO CC[C@@H](NC(=O)[C@H](C)C1C[NH2+]C1)c1noc(-c2cccc(Br)c2)n1 ZINC000375912105 563423317 /nfs/dbraw/zinc/42/33/17/563423317.db2.gz MZFUHVNAWJYUHX-QMTHXVAHSA-N 1 0 393.285 2.922 20 0 GFADRO C[NH+](C)[C@H](CNc1ncc(S(N)(=O)=O)s1)c1cccc(C(F)(F)F)c1 ZINC000302225609 563423316 /nfs/dbraw/zinc/42/33/16/563423316.db2.gz RPRBPMYICKCYLF-LLVKDONJSA-N 1 0 394.444 2.524 20 0 GFADRO Cc1cc(N2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)cc[nH+]1 ZINC000302213441 563423618 /nfs/dbraw/zinc/42/36/18/563423618.db2.gz FQWNOOPALYWMNJ-UHFFFAOYSA-N 1 0 396.310 2.663 20 0 GFADRO Cc1cc(N2CCN(CC(=O)Nc3ccc(Br)cc3)CC2)cc[nH+]1 ZINC000302412971 563425421 /nfs/dbraw/zinc/42/54/21/563425421.db2.gz IMNSJNAIRJMXIT-UHFFFAOYSA-N 1 0 389.297 2.913 20 0 GFADRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)NCCCCn2cc(Br)cn2)C1 ZINC000375985364 563425572 /nfs/dbraw/zinc/42/55/72/563425572.db2.gz DPYFYUHDEADSRS-GDBMZVCRSA-N 1 0 398.349 2.552 20 0 GFADRO COC(=O)[C@@H]1C[N@H+](Cc2cccnc2N)C[C@H]1c1ccc(Br)cc1 ZINC000425506032 563425743 /nfs/dbraw/zinc/42/57/43/563425743.db2.gz CNADFTDZUBDWRR-JKSUJKDBSA-N 1 0 390.281 2.815 20 0 GFADRO CCc1ncsc1NC(=O)C(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000282807589 563425770 /nfs/dbraw/zinc/42/57/70/563425770.db2.gz NZFAMDHZTVYJAD-CQSZACIVSA-N 1 0 380.901 2.717 20 0 GFADRO O=C(C[NH2+][C@H](C1CCOCC1)C1(CO)CCC1)NCc1ccc(Cl)s1 ZINC000425546392 563427222 /nfs/dbraw/zinc/42/72/22/563427222.db2.gz ROHDUVDXXALQNK-QGZVFWFLSA-N 1 0 386.945 2.565 20 0 GFADRO C[C@@H]1C[N@H+](CCCNC(=O)NCc2ccsc2Br)CCCO1 ZINC000282947803 563430124 /nfs/dbraw/zinc/43/01/24/563430124.db2.gz BRKMDJQFPSKFMQ-GFCCVEGCSA-N 1 0 390.347 2.811 20 0 GFADRO C[C@H]1C[N@H+](CCCNC(=O)NCc2ccsc2Br)CCCO1 ZINC000282947806 563430226 /nfs/dbraw/zinc/43/02/26/563430226.db2.gz BRKMDJQFPSKFMQ-LBPRGKRZSA-N 1 0 390.347 2.811 20 0 GFADRO CC1(c2ccc(F)cc2)CC([NH2+]C[C@H](O)CS(=O)(=O)c2cccs2)C1 ZINC000376119690 563430660 /nfs/dbraw/zinc/43/06/60/563430660.db2.gz XCMKUPACWYCXTI-PQUAAJSLSA-N 1 0 383.510 2.732 20 0 GFADRO C[C@@H](C[NH+]1CCCCC1)NC(=O)c1cc(Br)c2c(c1)OCCO2 ZINC000303034558 563432156 /nfs/dbraw/zinc/43/21/56/563432156.db2.gz QQRKGWACEGMFOW-LBPRGKRZSA-N 1 0 383.286 2.825 20 0 GFADRO CSCc1noc(CCC(=O)N[C@@H](C[NH+](C)C)c2ccc(Cl)cc2)n1 ZINC000283038439 563433754 /nfs/dbraw/zinc/43/37/54/563433754.db2.gz UXPTUBNFJKEGBB-AWEZNQCLSA-N 1 0 382.917 2.938 20 0 GFADRO CC(C)(CN1CCOCC1)[NH2+]Cc1nnc(-c2ccccc2Br)o1 ZINC000308649012 563434858 /nfs/dbraw/zinc/43/48/58/563434858.db2.gz VGKLDPDGOKOAHR-UHFFFAOYSA-N 1 0 395.301 2.700 20 0 GFADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)Nc2ncc(C(F)(F)F)s2)CC1 ZINC000283173850 563437371 /nfs/dbraw/zinc/43/73/71/563437371.db2.gz DLDQYWVKAOLJJH-NSHDSACASA-N 1 0 379.452 2.557 20 0 GFADRO CCOC(=O)[C@H](C)[C@@H](C)[NH2+]CC(=O)N(C)Cc1cc(Br)cs1 ZINC000283172140 563437589 /nfs/dbraw/zinc/43/75/89/563437589.db2.gz POIYYJSBIDDIPQ-GHMZBOCLSA-N 1 0 391.331 2.646 20 0 GFADRO C[C@@H](NC(=O)NC[C@@]1([NH+](C)C)CCSC1)c1nc(C(F)(F)F)cs1 ZINC000426030532 563442285 /nfs/dbraw/zinc/44/22/85/563442285.db2.gz UNUGJUBXEIKGJN-RNCFNFMXSA-N 1 0 382.477 2.959 20 0 GFADRO COC(=O)c1ccc(Br)cc1CN1CCC[C@@H](CNC(C)=O)C1 ZINC000283381261 563443066 /nfs/dbraw/zinc/44/30/66/563443066.db2.gz CTWOXDZHHFZDPE-ZDUSSCGKSA-N 1 0 383.286 2.584 20 0 GFADRO Cc1cc(NC(=O)C(=O)NCC[N@H+]2CCCC[C@H]2C)cc(C)c1Br ZINC000426105929 563443464 /nfs/dbraw/zinc/44/34/64/563443464.db2.gz LIRFPAQBIRDTQP-CQSZACIVSA-N 1 0 396.329 2.995 20 0 GFADRO C[C@H](CNC(=O)C(=O)Nc1cccc(Br)c1Cl)[N@H+](C)C1CC1 ZINC000283417596 563444476 /nfs/dbraw/zinc/44/44/76/563444476.db2.gz XKZULWNIMGZESR-SECBINFHSA-N 1 0 388.693 2.640 20 0 GFADRO Cc1cc(N2CCC[C@H]([N@H+]3CC[C@@H](O)[C@H](C)C3)C2=O)ccc1Br ZINC000426135627 563444760 /nfs/dbraw/zinc/44/47/60/563444760.db2.gz HFDUUAKGRAGHFA-XOKHGSTOSA-N 1 0 381.314 2.956 20 0 GFADRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)NCCCCn1cc(Br)cn1 ZINC000376523163 563445358 /nfs/dbraw/zinc/44/53/58/563445358.db2.gz RFHYLJCOKMNVFY-GOEBONIOSA-N 1 0 398.349 2.694 20 0 GFADRO CC(C)(O)C[NH+]1CCN(c2ncc(Br)cc2C(F)(F)F)CC1 ZINC000319860087 563445683 /nfs/dbraw/zinc/44/56/83/563445683.db2.gz HZZPJKHLXYRVOE-UHFFFAOYSA-N 1 0 382.224 2.756 20 0 GFADRO COc1ccc(Br)cc1C[NH2+][C@@H]1CCCc2c1cnn2CCO ZINC000319799963 563445703 /nfs/dbraw/zinc/44/57/03/563445703.db2.gz HHVBJMBMIQQWDD-OAHLLOKOSA-N 1 0 380.286 2.814 20 0 GFADRO O=C(c1cc(Br)cc2nc[nH]c21)N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000376570585 563446754 /nfs/dbraw/zinc/44/67/54/563446754.db2.gz LAJWCOSHDJOXTM-PEYYIBSZSA-N 1 0 389.297 2.882 20 0 GFADRO CN(C(=O)c1ccc(Br)c2c1OCCC2)[C@H]1C[NH+]2CCC1CC2 ZINC000426304040 563448466 /nfs/dbraw/zinc/44/84/66/563448466.db2.gz AYDCRZJTZYEOII-INIZCTEOSA-N 1 0 379.298 2.940 20 0 GFADRO CSCC[C@H](C)N(C)C(=O)C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000283650541 563450537 /nfs/dbraw/zinc/45/05/37/563450537.db2.gz YYEYXZXBAKGFSA-LSDHHAIUSA-N 1 0 383.583 2.601 20 0 GFADRO COC(=O)c1ccc(Br)cc1C[N@@H+]1CC[C@]2(C1)CCCN(C)C2=O ZINC000376694072 563451079 /nfs/dbraw/zinc/45/10/79/563451079.db2.gz KBTMIHYATUYBAV-SFHVURJKSA-N 1 0 395.297 2.680 20 0 GFADRO CN(Cc1ccccc1Br)C(=O)CN1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000324230960 563452029 /nfs/dbraw/zinc/45/20/29/563452029.db2.gz VBUMYXQRRCFRKJ-AEFFLSMTSA-N 1 0 394.357 2.872 20 0 GFADRO CCN(CCC[NH+](CC)CC)S(=O)(=O)c1c(C)csc1C(=O)OC ZINC000326272090 563454482 /nfs/dbraw/zinc/45/44/82/563454482.db2.gz JCELWWFKNFISOB-UHFFFAOYSA-N 1 0 376.544 2.586 20 0 GFADRO COC(=O)CC[N@@H+](Cc1cc(Br)cc2c1OCC2)C[C@H]1CCCO1 ZINC000326417068 563455184 /nfs/dbraw/zinc/45/51/84/563455184.db2.gz LXHUSMBEUCTLGY-MRXNPFEDSA-N 1 0 398.297 2.928 20 0 GFADRO C[C@H](NC(=O)C(=O)NC1CC[NH+](C2CC2)CC1)c1cccc(Cl)c1Cl ZINC000283870558 563457683 /nfs/dbraw/zinc/45/76/83/563457683.db2.gz HLRBVLAKJDUCFL-NSHDSACASA-N 1 0 384.307 2.914 20 0 GFADRO Ic1cccc(C[NH2+]CCc2cn3c(n2)SCC3)c1 ZINC000283939861 563459581 /nfs/dbraw/zinc/45/95/81/563459581.db2.gz MBKRFOBBXWRWLH-UHFFFAOYSA-N 1 0 385.274 2.926 20 0 GFADRO [NH3+]C[C@H]1Cc2ccccc2N(S(=O)(=O)c2ccccc2Br)C1 ZINC000328543292 563460745 /nfs/dbraw/zinc/46/07/45/563460745.db2.gz KGAVSSQVPRPLEK-GFCCVEGCSA-N 1 0 381.295 2.775 20 0 GFADRO CS[C@H]1CN(S(=O)(=O)c2cccc(-c3nc(C)cs3)c2)C[C@H]1[NH+](C)C ZINC000328672126 563462170 /nfs/dbraw/zinc/46/21/70/563462170.db2.gz NWZIEOLNYYHNDG-CVEARBPZSA-N 1 0 397.591 2.785 20 0 GFADRO FC(F)(F)CN1CCC(C[NH2+]C2CCN(Cc3cscn3)CC2)CC1 ZINC000377139339 563464509 /nfs/dbraw/zinc/46/45/09/563464509.db2.gz IESJGQYQFNPBJD-UHFFFAOYSA-N 1 0 376.492 2.971 20 0 GFADRO Cc1csc(-c2cccc(S(=O)(=O)N3C[C@H]4CCC[N@H+]4C[C@H]3C)c2)n1 ZINC000328828374 563466112 /nfs/dbraw/zinc/46/61/12/563466112.db2.gz QQKWVTYCKFXUBW-GDBMZVCRSA-N 1 0 377.535 2.976 20 0 GFADRO COC(=O)c1ccc(C[NH+]2CCC(Cn3ccnn3)CC2)c(Br)c1 ZINC000284190881 563466943 /nfs/dbraw/zinc/46/69/43/563466943.db2.gz BBWKWEAPAYQLSQ-UHFFFAOYSA-N 1 0 393.285 2.739 20 0 GFADRO O=C1[C@H]([NH2+][C@H](c2cncc(Br)c2)C2CC2)CCN1C1CCOCC1 ZINC000328914879 563468242 /nfs/dbraw/zinc/46/82/42/563468242.db2.gz QNONSZVYAAXCGT-SJORKVTESA-N 1 0 394.313 2.665 20 0 GFADRO CN(CCn1cc(Br)cn1)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000377284971 563469453 /nfs/dbraw/zinc/46/94/53/563469453.db2.gz FZYUMQZGAUIKOX-UHFFFAOYSA-N 1 0 398.349 2.694 20 0 GFADRO CC[NH+](CC)CCN(C(=O)c1ccc(C)cc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000427702582 563472169 /nfs/dbraw/zinc/47/21/69/563472169.db2.gz UQMICYJKICUZDF-OAHLLOKOSA-N 1 0 386.945 2.620 20 0 GFADRO C[C@H](NS(=O)(=O)c1ccsc1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000329094768 563472536 /nfs/dbraw/zinc/47/25/36/563472536.db2.gz XPYNYLGAGOALJP-ZDUSSCGKSA-N 1 0 383.514 2.679 20 0 GFADRO Cn1nccc1[C@H]1[C@H]([NH2+]Cc2ccccc2Br)CCC(=O)N1C ZINC000284448992 563475423 /nfs/dbraw/zinc/47/54/23/563475423.db2.gz GHRJXGJWTGYRNZ-RHSMWYFYSA-N 1 0 377.286 2.634 20 0 GFADRO COC(=O)c1ccc(CN2CCS[C@H]3COCC[C@H]32)c(Br)c1 ZINC000284457275 563475717 /nfs/dbraw/zinc/47/57/17/563475717.db2.gz UTNBXBNXYRURQO-CABCVRRESA-N 1 0 386.311 2.942 20 0 GFADRO CSc1nc(C)c(CCC(=O)Nc2nc3c(s2)C[C@@H]([NH3+])CC3)c(C)n1 ZINC000377529566 563477457 /nfs/dbraw/zinc/47/74/57/563477457.db2.gz FDUOHNYYRYSMQE-NSHDSACASA-N 1 0 377.539 2.659 20 0 GFADRO COc1ncc([C@@H](C)[NH2+]C2CCN(S(=O)(=O)CC(C)C)CC2)cc1Cl ZINC000284513484 563478063 /nfs/dbraw/zinc/47/80/63/563478063.db2.gz WFTGDPHJUZRRGH-CYBMUJFWSA-N 1 0 389.949 2.844 20 0 GFADRO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N[C@H](C)CCCC[NH3+] ZINC000427934464 563479163 /nfs/dbraw/zinc/47/91/63/563479163.db2.gz VEGFHCNIDNXEBX-OLZOCXBDSA-N 1 0 378.922 2.550 20 0 GFADRO CC(C)(C)c1nc2ccc(S(=O)(=O)N3CC[C@H]4[NH2+]CC[C@H]4C3)cc2s1 ZINC000427961698 563479270 /nfs/dbraw/zinc/47/92/70/563479270.db2.gz SERUZUJEODXMIJ-GXTWGEPZSA-N 1 0 379.551 2.966 20 0 GFADRO CO[C@@H]1COC[C@H]1n1cc(CN[C@H]2CCSc3c(Cl)cccc32)nn1 ZINC000329495800 563481354 /nfs/dbraw/zinc/48/13/54/563481354.db2.gz FUWMKAWEPIURCB-ARFHVFGLSA-N 1 0 380.901 2.845 20 0 GFADRO COc1ccc(S(=O)(=O)N2CC([NH2+][C@@H](C)CCCC(F)(F)F)C2)cc1 ZINC000428104754 563482383 /nfs/dbraw/zinc/48/23/83/563482383.db2.gz UXZWUDWYMXTAPQ-LBPRGKRZSA-N 1 0 380.432 2.779 20 0 GFADRO Cc1[nH]c(=O)c(Br)cc1-c1nc([C@@H]2CN3CCC[C@@]3(C)CO2)no1 ZINC000329654008 563484322 /nfs/dbraw/zinc/48/43/22/563484322.db2.gz FCXULOYCVBAEEK-LRDDRELGSA-N 1 0 395.257 2.834 20 0 GFADRO O=C(CC[N@H+]1CCOC[C@@H]1[C@H]1CCC[C@H]1O)Nc1cccc(Br)c1 ZINC000284674479 563484990 /nfs/dbraw/zinc/48/49/90/563484990.db2.gz DXEKSRSDBMILIY-BRWVUGGUSA-N 1 0 397.313 2.640 20 0 GFADRO O=C(Nc1nnc(-c2ccc(Cl)cc2F)s1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000329909686 563490874 /nfs/dbraw/zinc/49/08/74/563490874.db2.gz MREQXTVXNZUHCP-LLVKDONJSA-N 1 0 381.864 3.310 20 0 GFADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000428465793 563493310 /nfs/dbraw/zinc/49/33/10/563493310.db2.gz XSYKRRUEVKJCPD-UOJCXKCYSA-N 1 0 381.314 2.937 20 0 GFADRO COCc1cnc(C[NH2+]C[C@@H](CO)Cc2ccccc2Br)s1 ZINC000428546716 563495285 /nfs/dbraw/zinc/49/52/85/563495285.db2.gz NUXJRXOUEZKNPY-LBPRGKRZSA-N 1 0 385.327 2.993 20 0 GFADRO COc1ccc(Br)c(C(=O)N2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)c1 ZINC000378226672 563499157 /nfs/dbraw/zinc/49/91/57/563499157.db2.gz VWNJLAVJUOTCHE-CSMYWGQOSA-N 1 0 397.313 2.781 20 0 GFADRO O=S(=O)(/C=C/c1cccc(Br)c1)N(C1CC1)C1CC[NH2+]CC1 ZINC000378247075 563499754 /nfs/dbraw/zinc/49/97/54/563499754.db2.gz AKSCMSMVHFTJBB-DHZHZOJOSA-N 1 0 385.327 2.966 20 0 GFADRO C[C@@H]([NH2+]Cc1cc(Br)c2c(c1)OCCO2)C(C)(C)n1cncn1 ZINC000285057250 563500934 /nfs/dbraw/zinc/50/09/34/563500934.db2.gz ITEOWOANQUXRGZ-LLVKDONJSA-N 1 0 381.274 2.725 20 0 GFADRO Cc1cc(Br)oc1C(=O)N1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000378371767 563504589 /nfs/dbraw/zinc/50/45/89/563504589.db2.gz SBECEGNIYLCIDG-CYBMUJFWSA-N 1 0 384.318 2.591 20 0 GFADRO CC(=O)Nc1ccc(S(=O)(=O)N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)cc1Cl ZINC000285193851 563507706 /nfs/dbraw/zinc/50/77/06/563507706.db2.gz CNEVNSFUZMEHFR-GXTWGEPZSA-N 1 0 385.917 2.546 20 0 GFADRO CC(=O)N[C@H](CC(=O)N1CCC[C@H](C)[C@H]1C[NH3+])c1ccc(Br)cc1 ZINC000429125885 563510039 /nfs/dbraw/zinc/51/00/39/563510039.db2.gz DNUJUWCLCXHQLK-JCURWCKSSA-N 1 0 396.329 2.602 20 0 GFADRO COCC[N@@H+]1CCCN(C(=O)c2cc(Br)c(C)cc2OC)CC1 ZINC000285238283 563510466 /nfs/dbraw/zinc/51/04/66/563510466.db2.gz ZGVRJDQPPMXNLJ-UHFFFAOYSA-N 1 0 385.302 2.560 20 0 GFADRO CCS(=O)(=O)NCCC[NH2+]C(C)(C)Cc1ccc(Br)c(C)c1 ZINC000429233035 563512489 /nfs/dbraw/zinc/51/24/89/563512489.db2.gz CSUSRYWTQKMSBX-UHFFFAOYSA-N 1 0 391.375 2.998 20 0 GFADRO [NH3+]C[C@H]1CCCC[C@H]1NC(=O)CCNC(=O)Nc1ccc(Br)cc1 ZINC000429278497 563513180 /nfs/dbraw/zinc/51/31/80/563513180.db2.gz IYDGELKYHWCZGQ-IUODEOHRSA-N 1 0 397.317 2.594 20 0 GFADRO Cc1c(Br)cccc1C[NH2+][C@H]1CCCC[C@@H]1NS(C)(=O)=O ZINC000330615007 563514097 /nfs/dbraw/zinc/51/40/97/563514097.db2.gz UCBZGWAHRYPCBG-GJZGRUSLSA-N 1 0 375.332 2.708 20 0 GFADRO Cc1cc(C[NH2+][C@@H]2CCCC[C@@H]2NS(C)(=O)=O)ccc1Br ZINC000330617446 563514293 /nfs/dbraw/zinc/51/42/93/563514293.db2.gz XBSSJOFGAIPVQD-CABCVRRESA-N 1 0 375.332 2.708 20 0 GFADRO CC(C)NS(=O)(=O)NCC[NH2+][C@H](C)c1ccc(SCC(F)F)cc1 ZINC000429428337 563516937 /nfs/dbraw/zinc/51/69/37/563516937.db2.gz IVKKDXJSATXGJP-GFCCVEGCSA-N 1 0 381.514 2.527 20 0 GFADRO COc1cc(C[NH2+][C@@H]2CCC(=O)N[C@H]2C(C)(C)C)cc(Br)c1O ZINC000285382297 563518069 /nfs/dbraw/zinc/51/80/69/563518069.db2.gz CQRYRHKKUFISEN-MLGOLLRUSA-N 1 0 385.302 2.946 20 0 GFADRO CCCOc1ccc(Br)cc1C[NH2+][C@@H]1CCS(=O)(=O)[C@@H]1C ZINC000386647992 563518884 /nfs/dbraw/zinc/51/88/84/563518884.db2.gz XULLMDFNSQQYKI-BXUZGUMPSA-N 1 0 376.316 2.903 20 0 GFADRO C[C@@H]1CC[C@@H]([N@H+](C)CC(=O)Nc2ccc(Cl)c(S(=O)(=O)N(C)C)c2)C1 ZINC000429571405 563519227 /nfs/dbraw/zinc/51/92/27/563519227.db2.gz DCCDJUUGNRXRRZ-TZMCWYRMSA-N 1 0 387.933 2.649 20 0 GFADRO C[NH2+][C@H](CC(C)(C)C)C(=O)N1CCN(c2ccc(Br)cn2)CC1 ZINC000387679135 563519780 /nfs/dbraw/zinc/51/97/80/563519780.db2.gz RUVIAROUXBZREC-CQSZACIVSA-N 1 0 383.334 2.517 20 0 GFADRO O=C(C[C@@H]1C[NH2+]CCO1)Nc1nc(-c2cccc(Br)c2)cs1 ZINC000429748795 563521851 /nfs/dbraw/zinc/52/18/51/563521851.db2.gz PBWKGVRZRBDSPH-GFCCVEGCSA-N 1 0 382.283 2.890 20 0 GFADRO COc1cccc([C@H](C[NH2+]Cc2c(Br)c(C)nn2C)N(C)C)c1 ZINC000390336677 563522867 /nfs/dbraw/zinc/52/28/67/563522867.db2.gz IUUPGBAFUVVXIX-HNNXBMFYSA-N 1 0 381.318 2.892 20 0 GFADRO C[C@](CO)([NH2+]CC(=O)NCc1ccccc1)c1ccc(Br)cc1 ZINC000285575022 563527348 /nfs/dbraw/zinc/52/73/48/563527348.db2.gz WMVIAWNLWDJOIU-GOSISDBHSA-N 1 0 377.282 2.563 20 0 GFADRO COc1c(Br)cccc1C[NH2+]CC1(S(C)(=O)=O)CCCC1 ZINC000285571733 563527464 /nfs/dbraw/zinc/52/74/64/563527464.db2.gz UICDSYWQKMNOFL-UHFFFAOYSA-N 1 0 376.316 2.905 20 0 GFADRO CC(=O)N[C@H](CC(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(Br)cc1 ZINC000330917532 563527618 /nfs/dbraw/zinc/52/76/18/563527618.db2.gz WHZPKXJNMJIPGM-OAUYIBNBSA-N 1 0 396.329 2.615 20 0 GFADRO O[C@@H](C[NH2+][C@H]1COc2ccccc2C1)COc1cccc(Br)c1 ZINC000393343449 563528763 /nfs/dbraw/zinc/52/87/63/563528763.db2.gz CBCCATZOAGWLEP-CVEARBPZSA-N 1 0 378.266 2.782 20 0 GFADRO C[NH+](C)C[C@](C)(O)CNCc1cc(Br)cc(Br)c1 ZINC000394547629 563530136 /nfs/dbraw/zinc/53/01/36/563530136.db2.gz ZZZLZLCQIAHPEZ-CYBMUJFWSA-N 1 0 380.124 2.614 20 0 GFADRO C[C@H]([NH3+])[C@H](C)NS(=O)(=O)c1c(Cl)cc(Br)cc1Cl ZINC000394537371 563530186 /nfs/dbraw/zinc/53/01/86/563530186.db2.gz VCQVIFAGIUKBNW-WDSKDSINSA-N 1 0 376.103 2.770 20 0 GFADRO COCC[C@@]1(C(=O)N2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)CC[NH2+]C1 ZINC000430033748 563531447 /nfs/dbraw/zinc/53/14/47/563531447.db2.gz RWJKHRWLJOQQEB-WMZOPIPTSA-N 1 0 387.307 2.910 20 0 GFADRO Cc1sc(Br)cc1S(=O)(=O)N1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000397287797 563531654 /nfs/dbraw/zinc/53/16/54/563531654.db2.gz VHDRQMSPKSYWQU-NGZCFLSTSA-N 1 0 381.361 2.813 20 0 GFADRO CS(=O)(=O)N1CCC(C[NH2+]Cc2cc(Cl)ccc2OCC2CC2)CC1 ZINC000430016216 563531693 /nfs/dbraw/zinc/53/16/93/563531693.db2.gz DQQJDZBFTILXBD-UHFFFAOYSA-N 1 0 386.945 2.890 20 0 GFADRO Cc1cc(S(=O)(=O)N2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)sc1Br ZINC000397292557 563531812 /nfs/dbraw/zinc/53/18/12/563531812.db2.gz XWZINHUDUWEMEG-LSJOCFKGSA-N 1 0 381.361 2.813 20 0 GFADRO CN(C[C@@H]1CCCN(Cc2csc(-c3ccsc3)n2)C1)S(C)(=O)=O ZINC000285701292 563532173 /nfs/dbraw/zinc/53/21/73/563532173.db2.gz SKXMOZOFOCTQFJ-ZDUSSCGKSA-N 1 0 385.580 2.975 20 0 GFADRO CC1CC[NH+](C[C@@H](O)CNS(=O)(=O)c2ccc(Cl)c(F)c2Cl)CC1 ZINC000331029611 563532191 /nfs/dbraw/zinc/53/21/91/563532191.db2.gz XYCXQITZUYCKMZ-NSHDSACASA-N 1 0 399.315 2.504 20 0 GFADRO C[C@@H]1CSc2ccc(Br)cc2[C@H]1NC(=O)C[C@H]1C[NH2+]CCO1 ZINC000430112451 563533310 /nfs/dbraw/zinc/53/33/10/563533310.db2.gz XRNORGDMXVNKEN-XAGWURHQSA-N 1 0 385.327 2.727 20 0 GFADRO CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](CO)Cc1cccc(Br)c1 ZINC000430138998 563535255 /nfs/dbraw/zinc/53/52/55/563535255.db2.gz ZZADQEXEJNPATA-WBVHZDCISA-N 1 0 383.330 2.591 20 0 GFADRO C[C@@H](NC(=O)CN1C[C@@H]2CCC[C@]2(C[NH3+])C1)c1ccc(Br)cc1 ZINC000403006702 563536104 /nfs/dbraw/zinc/53/61/04/563536104.db2.gz RIWMNLNJRFYIGY-XUWXXGDYSA-N 1 0 380.330 2.687 20 0 GFADRO CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H](CO)Cc1ccccc1Br ZINC000430163406 563537171 /nfs/dbraw/zinc/53/71/71/563537171.db2.gz HPYYXANMCYQQRH-WMLDXEAASA-N 1 0 383.330 2.591 20 0 GFADRO COc1ccc(Br)cc1S(=O)(=O)N1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000405321577 563538725 /nfs/dbraw/zinc/53/87/25/563538725.db2.gz RQFDOUIVWHGAIP-DGCLKSJQSA-N 1 0 391.331 2.596 20 0 GFADRO COc1ccc(S(=O)(=O)N2CCC[C@@H](C)[C@H]2CC[NH3+])cc1Br ZINC000405306877 563538829 /nfs/dbraw/zinc/53/88/29/563538829.db2.gz LDVNONQWWNEMLT-BXUZGUMPSA-N 1 0 391.331 2.596 20 0 GFADRO C[C@@H]1CC(O)C[C@@H](C)[NH+]1C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000331181610 563539427 /nfs/dbraw/zinc/53/94/27/563539427.db2.gz LURXVRNVHASMHX-UEKVPHQBSA-N 1 0 376.266 2.562 20 0 GFADRO COc1cc(Br)ccc1CNC(=O)N1CC[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000430273596 563540156 /nfs/dbraw/zinc/54/01/56/563540156.db2.gz NXAMUALAKSDFOR-WFASDCNBSA-N 1 0 382.302 2.693 20 0 GFADRO CS(=O)(=O)N[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(Br)cc1F ZINC000331207405 563540770 /nfs/dbraw/zinc/54/07/70/563540770.db2.gz YURBGADOAJTMSI-UONOGXRCSA-N 1 0 379.295 2.538 20 0 GFADRO C[C@@H]1CN(C(=O)CCOc2ccccc2Br)CC[N@@H+]1CC(C)(C)O ZINC000331279165 563543503 /nfs/dbraw/zinc/54/35/03/563543503.db2.gz AUDNWFBVHFJSIJ-CQSZACIVSA-N 1 0 399.329 2.522 20 0 GFADRO C[C@H]1CCC[N@@H+](C(C)(C)CNS(=O)(=O)c2cnccc2C(F)(F)F)C1 ZINC000331297071 563544455 /nfs/dbraw/zinc/54/44/55/563544455.db2.gz ZHGRMFWNKYJLJM-LBPRGKRZSA-N 1 0 379.448 2.889 20 0 GFADRO Cc1cc(Br)cc(C)c1N1CCC[C@H](NC(=O)N[C@@H]2CC[NH2+]C2)C1 ZINC000331380517 563547774 /nfs/dbraw/zinc/54/77/74/563547774.db2.gz GIFCBXHAWTXUFD-CVEARBPZSA-N 1 0 395.345 2.696 20 0 GFADRO CO[C@@H]1CCC[C@H]1C[NH2+][C@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430707653 563548144 /nfs/dbraw/zinc/54/81/44/563548144.db2.gz QFASAMKCEFWWRU-SCDSUCTJSA-N 1 0 391.331 2.562 20 0 GFADRO C[C@H](C[C@H]1CCCO1)[NH2+][C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430709018 563548350 /nfs/dbraw/zinc/54/83/50/563548350.db2.gz LVHPEGSRWRUVQX-NTZNESFSSA-N 1 0 391.331 2.705 20 0 GFADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H]1C[C@H]1c1ccccc1Br ZINC000430712827 563548430 /nfs/dbraw/zinc/54/84/30/563548430.db2.gz FAYPZONLLDUAEH-UKPHBRMFSA-N 1 0 396.329 2.715 20 0 GFADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2nc3ccc(Br)cn3n2)C1 ZINC000331434381 563549080 /nfs/dbraw/zinc/54/90/80/563549080.db2.gz QULIUPBPUGCNTG-BETUJISGSA-N 1 0 394.317 2.590 20 0 GFADRO CC1(C)CN(C(=O)Nc2cc(Br)ccc2N2CCOCC2)CC[NH2+]1 ZINC000331435935 563549317 /nfs/dbraw/zinc/54/93/17/563549317.db2.gz RWFDNUTUOJIORA-UHFFFAOYSA-N 1 0 397.317 2.501 20 0 GFADRO CC(C)([NH3+])c1noc(CN2CCO[C@H](c3ccc(Br)cc3)C2)n1 ZINC000431074810 563552738 /nfs/dbraw/zinc/55/27/38/563552738.db2.gz YERNGMPRQFGGSQ-ZDUSSCGKSA-N 1 0 381.274 2.599 20 0 GFADRO CC(C)[NH2+]C1CCN(C(=O)C(=O)N[C@H](C)c2ccc(Br)cc2)CC1 ZINC000286491301 563562201 /nfs/dbraw/zinc/56/22/01/563562201.db2.gz MNFWWTNOGYQASE-CYBMUJFWSA-N 1 0 396.329 2.615 20 0 GFADRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N1CCO[C@H](c2ccc(Br)cc2)[C@@H]1C ZINC000331867521 563564863 /nfs/dbraw/zinc/56/48/63/563564863.db2.gz OGJRKWVRYHQYFX-OQUILHJVSA-N 1 0 396.329 2.919 20 0 GFADRO C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)CC[C@@H]1[NH3+] ZINC000331984829 563569689 /nfs/dbraw/zinc/56/96/89/563569689.db2.gz YEUQLEFDBYXTNR-XFBWCDHKSA-N 1 0 384.307 2.853 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)NCC[NH+]2CCCCC2)c(Br)c1 ZINC000431874971 563570794 /nfs/dbraw/zinc/57/07/94/563570794.db2.gz IAKZBQAHQNPWCY-UHFFFAOYSA-N 1 0 382.302 2.607 20 0 GFADRO COC(=O)c1cc(NC(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)ccc1Br ZINC000332063429 563573838 /nfs/dbraw/zinc/57/38/38/563573838.db2.gz QSBYZENQBQEOGK-LSDHHAIUSA-N 1 0 396.285 2.984 20 0 GFADRO CNC(=O)[C@H]1C[N@@H+]([C@H](C)c2ccccc2Br)C[C@@H]1c1cnn(C)c1 ZINC000332081908 563575053 /nfs/dbraw/zinc/57/50/53/563575053.db2.gz NFRWSMAJCBNIPE-WQVCFCJDSA-N 1 0 391.313 2.705 20 0 GFADRO C[C@H]1C[N@H+](CCCNS(=O)(=O)Cc2ccc(Cl)cc2Cl)CCCO1 ZINC000432323229 563580477 /nfs/dbraw/zinc/58/04/77/563580477.db2.gz CAJRRSVZGISQHX-ZDUSSCGKSA-N 1 0 395.352 2.914 20 0 GFADRO COc1cc(C[NH2+]CCC2CC(O)C2)cc(I)c1OC ZINC000432345836 563581274 /nfs/dbraw/zinc/58/12/74/563581274.db2.gz HIDPDBJMZASQGO-UHFFFAOYSA-N 1 0 391.249 2.559 20 0 GFADRO Cc1cc(Br)cn2c(CNCCC[N@@H+]3CCCO[C@@H](C)C3)cnc12 ZINC000432356112 563582005 /nfs/dbraw/zinc/58/20/05/563582005.db2.gz CCAGLCSXONGMRV-HNNXBMFYSA-N 1 0 395.345 2.996 20 0 GFADRO C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@H]2CCc3cc(Br)ccc32)C[C@@H]1C ZINC000332225910 563585153 /nfs/dbraw/zinc/58/51/53/563585153.db2.gz BUNDLGGDKOGMLQ-DCGLDWPTSA-N 1 0 396.329 2.533 20 0 GFADRO C[C@@H]([NH2+]C[C@@H]1CCCSC1)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000287086970 563586649 /nfs/dbraw/zinc/58/66/49/563586649.db2.gz PBFTVEBUZTVRJW-CVEARBPZSA-N 1 0 384.567 2.501 20 0 GFADRO O=C(Nc1cc(F)ccc1Br)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000332248124 563586852 /nfs/dbraw/zinc/58/68/52/563586852.db2.gz BNYIILSWWXZLRB-CYBMUJFWSA-N 1 0 398.276 2.614 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000332267667 563588868 /nfs/dbraw/zinc/58/88/68/563588868.db2.gz HCFMRGKXAWORCT-OAHLLOKOSA-N 1 0 394.313 2.783 20 0 GFADRO C[C@H]1CN(C(=O)NC2CCN(Cc3cc(Cl)cc(Cl)c3)CC2)C[C@@H]1[NH3+] ZINC000332266993 563589085 /nfs/dbraw/zinc/58/90/85/563589085.db2.gz HYYXKKRFCZTCRL-SJCJKPOMSA-N 1 0 385.339 2.946 20 0 GFADRO C[C@@H](N[C@@H](C)C(F)(F)F)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000287186262 563591250 /nfs/dbraw/zinc/59/12/50/563591250.db2.gz CXRRATCIIODGKT-OLZOCXBDSA-N 1 0 381.464 2.518 20 0 GFADRO COc1cc[nH+]c(N2CCN(C(=O)c3nc(C)sc3Br)CC2)c1 ZINC000410449815 563591231 /nfs/dbraw/zinc/59/12/31/563591231.db2.gz TTXBNBJRKXWLGR-UHFFFAOYSA-N 1 0 397.298 2.580 20 0 GFADRO CN(Cc1ccc(Cl)s1)C(=O)C(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000410438087 563591289 /nfs/dbraw/zinc/59/12/89/563591289.db2.gz DZNJUMVLGJLKMQ-CQSZACIVSA-N 1 0 383.945 2.837 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)N[C@@H]2COc3cc(F)c(Br)cc32)C1 ZINC000332313294 563592116 /nfs/dbraw/zinc/59/21/16/563592116.db2.gz XZJOCPUTSYHQAK-IMSIIYSGSA-N 1 0 386.265 2.791 20 0 GFADRO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NCc1nn(C)cc1Br ZINC000432802767 563594015 /nfs/dbraw/zinc/59/40/15/563594015.db2.gz DZOGBTRKNCTFHL-CZUORRHYSA-N 1 0 378.318 2.578 20 0 GFADRO COC(=O)c1ccc(C[NH2+]C[C@@H](CO)Cc2ccccc2Br)o1 ZINC000432901143 563596946 /nfs/dbraw/zinc/59/69/46/563596946.db2.gz DBIOZZTZPBBSRD-LBPRGKRZSA-N 1 0 382.254 2.770 20 0 GFADRO COc1cc(C)c(Br)cc1C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000287394517 563599902 /nfs/dbraw/zinc/59/99/02/563599902.db2.gz IVCHEANCMXKJJL-AWEZNQCLSA-N 1 0 397.313 2.560 20 0 GFADRO COC(=O)c1coc(C[NH2+]C[C@@H](CO)Cc2cccc(Br)c2)c1 ZINC000433047104 563601170 /nfs/dbraw/zinc/60/11/70/563601170.db2.gz JLYMQRPMYOECAH-ZDUSSCGKSA-N 1 0 382.254 2.770 20 0 GFADRO COC[C@H]([NH2+][C@H](C)CC(=O)Nc1ccc(Br)cc1)[C@@H]1CCCO1 ZINC000433015282 563601371 /nfs/dbraw/zinc/60/13/71/563601371.db2.gz WBWPKGKGUUQSJB-KCXAZCMYSA-N 1 0 385.302 2.950 20 0 GFADRO COc1cc(Cl)ccc1C[N@H+](C)CCOc1ccc(S(N)(=O)=O)cc1 ZINC000433070071 563601613 /nfs/dbraw/zinc/60/16/13/563601613.db2.gz WTUITXGIVVSMIJ-UHFFFAOYSA-N 1 0 384.885 2.507 20 0 GFADRO C[C@@H]1C[N@H+](CC(=O)NCC(=O)Nc2ccccc2Br)C(C)(C)C1 ZINC000332539839 563603536 /nfs/dbraw/zinc/60/35/36/563603536.db2.gz BVPBFZSYSOWHDM-LBPRGKRZSA-N 1 0 382.302 2.624 20 0 GFADRO O=C([C@H]1CC[N@@H+](C[C@H](O)COc2cc(Cl)ccc2Cl)C1)N1CCCC1 ZINC000287501365 563604569 /nfs/dbraw/zinc/60/45/69/563604569.db2.gz UCBAKLOKHGXEIW-ZFWWWQNUSA-N 1 0 387.307 2.677 20 0 GFADRO O[C@@H](COCC(F)(F)F)C[NH+]1CCN(c2cccc(Br)c2)CC1 ZINC000433185771 563605779 /nfs/dbraw/zinc/60/57/79/563605779.db2.gz FYTDKWWFEMGHHE-CQSZACIVSA-N 1 0 397.235 2.511 20 0 GFADRO CC(C)[C@H]1CN(C(=O)C[C@@H]2Sc3ccc(Cl)cc3NC2=O)CC[N@@H+]1C ZINC000332580734 563605921 /nfs/dbraw/zinc/60/59/21/563605921.db2.gz FZALQYXBKJECDX-ZBFHGGJFSA-N 1 0 381.929 2.942 20 0 GFADRO CCCCC(=O)N1CSC[C@@H]1C(=O)N(CC[NH+](C)C)Cc1ccsc1 ZINC000411109425 563606180 /nfs/dbraw/zinc/60/61/80/563606180.db2.gz GJXZDKOFTYWKJD-MRXNPFEDSA-N 1 0 383.583 2.730 20 0 GFADRO C[C@@H]1CN(c2ccc(Cl)c(F)c2)CC[N@@H+]1C[C@H](O)COCC(F)(F)F ZINC000433204501 563606344 /nfs/dbraw/zinc/60/63/44/563606344.db2.gz HNSJLSFVUMKQJV-YPMHNXCESA-N 1 0 384.801 2.929 20 0 GFADRO CS[C@@H]1CN([C@H]2CCN(c3cccc(Br)c3)C2=O)C[C@H]1[NH+](C)C ZINC000433251227 563607701 /nfs/dbraw/zinc/60/77/01/563607701.db2.gz CCNWFSSOYLQSNZ-ARFHVFGLSA-N 1 0 398.370 2.532 20 0 GFADRO CSc1cc(NC(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)ccc1Cl ZINC000411312518 563614907 /nfs/dbraw/zinc/61/49/07/563614907.db2.gz UTIRFCVUWOHVBP-DOMZBBRYSA-N 1 0 381.929 2.943 20 0 GFADRO C[C@@H](CC[NH+](C)C)NS(=O)(=O)c1cc(Br)sc1Cl ZINC000433657799 563617798 /nfs/dbraw/zinc/61/77/98/563617798.db2.gz CXWMFQIFOJJBJG-ZETCQYMHSA-N 1 0 375.741 2.783 20 0 GFADRO Cn1cc(Br)cc(NC(=O)N2CCCC[C@@H]2[C@H]2CCC[NH2+]C2)c1=O ZINC000333081909 563619447 /nfs/dbraw/zinc/61/94/47/563619447.db2.gz AVXGALMFSCKGOW-SWLSCSKDSA-N 1 0 397.317 2.534 20 0 GFADRO COc1cc(C)c(S(=O)(=O)N2C[C@@H](SC)[C@H]([NH+](C)C)C2)cc1C(C)C ZINC000433874491 563621921 /nfs/dbraw/zinc/62/19/21/563621921.db2.gz WPKQZBBRJSJLNQ-NVXWUHKLSA-N 1 0 386.583 2.793 20 0 GFADRO COc1cc(C)c(S(=O)(=O)NC[C@@]2([NH+](C)C)CCSC2)cc1C(C)C ZINC000433884054 563622366 /nfs/dbraw/zinc/62/23/66/563622366.db2.gz SPPKCCFMGAKQPW-SFHVURJKSA-N 1 0 386.583 2.843 20 0 GFADRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)Nc1cc(Br)ccc1N1CCOCC1 ZINC000333174819 563623209 /nfs/dbraw/zinc/62/32/09/563623209.db2.gz QQKVROJFDGKGCR-JSGCOSHPSA-N 1 0 397.317 2.548 20 0 GFADRO CCn1cc([C@@H]2NC(=O)CC[C@H]2[NH2+]Cc2cc(Br)ccc2F)cn1 ZINC000433975443 563623880 /nfs/dbraw/zinc/62/38/80/563623880.db2.gz GIZWGJQJTUCRDF-WBVHZDCISA-N 1 0 395.276 2.914 20 0 GFADRO CS[C@@H]1CN(c2ccc(S(=O)(=O)C(C)(C)C)nc2)C[C@@H]1[NH+]1CCCC1 ZINC000333205687 563624182 /nfs/dbraw/zinc/62/41/82/563624182.db2.gz ONAYBZVDVLKAHP-JKSUJKDBSA-N 1 0 383.583 2.670 20 0 GFADRO [NH3+][C@@H]1CCO[C@H](C2CCN(C(=O)Cc3ccc(Br)c(F)c3)CC2)C1 ZINC000333254416 563626071 /nfs/dbraw/zinc/62/60/71/563626071.db2.gz HOPBTXGATDMVNV-PBHICJAKSA-N 1 0 399.304 2.876 20 0 GFADRO [NH3+][C@@H]1CCO[C@H](C2CCN(C(=O)c3cc(F)ccc3Br)CC2)C1 ZINC000333272409 563626643 /nfs/dbraw/zinc/62/66/43/563626643.db2.gz KTSHBPJUYVHNNB-CJNGLKHVSA-N 1 0 385.277 2.947 20 0 GFADRO O=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)C(=O)Nc1ccc(F)cc1Br ZINC000434560769 563632587 /nfs/dbraw/zinc/63/25/87/563632587.db2.gz BOHJJEKBHUIWPG-ZDUSSCGKSA-N 1 0 398.276 2.660 20 0 GFADRO CC1(C)Cc2c(cccc2Br)[C@H]1[NH2+]CC(=O)NC[C@@H]1CCCO1 ZINC000411754292 563632730 /nfs/dbraw/zinc/63/27/30/563632730.db2.gz DVHNGQMLUXMAPZ-YVEFUNNKSA-N 1 0 381.314 2.957 20 0 GFADRO O=C(N[C@H](c1cncc(Br)c1)C1CC1)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000333528457 563635050 /nfs/dbraw/zinc/63/50/50/563635050.db2.gz HORVVBQNOZMOPG-NOLJZWGESA-N 1 0 379.302 2.546 20 0 GFADRO O=C(c1ccc(F)c(Br)c1)N1CCC(n2ncc3c2C[NH2+]C3)CC1 ZINC000333547741 563635138 /nfs/dbraw/zinc/63/51/38/563635138.db2.gz IXNYPYMTGSWMOJ-UHFFFAOYSA-N 1 0 393.260 2.865 20 0 GFADRO C[C@H](Sc1ccc(Cl)cc1)C(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000434709239 563635206 /nfs/dbraw/zinc/63/52/06/563635206.db2.gz ULSRZFCCKMEXOY-DZGCQCFKSA-N 1 0 383.945 2.667 20 0 GFADRO COc1ccc(Br)cc1C(=O)CCC(=O)N[C@H]1CCC[NH2+][C@H]1C ZINC000434711945 563636533 /nfs/dbraw/zinc/63/65/33/563636533.db2.gz SVVFVOLJYUXHFU-FZMZJTMJSA-N 1 0 383.286 2.677 20 0 GFADRO O=C(c1cn([C@H]2CCC[NH2+]C2)nn1)N1CCc2c(Cl)cc(Cl)cc2C1 ZINC000333612402 563636655 /nfs/dbraw/zinc/63/66/55/563636655.db2.gz SDADWFXLTZUUQP-ZDUSSCGKSA-N 1 0 380.279 2.708 20 0 GFADRO O=C(CC[NH2+]C1(CO)CCSCC1)Nc1ccc(Br)cc1F ZINC000411829070 563636970 /nfs/dbraw/zinc/63/69/70/563636970.db2.gz WTLQBTVGNDLADI-UHFFFAOYSA-N 1 0 391.306 2.765 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(S(=O)(=O)c3csc(-c4ccc(Cl)cc4)n3)C[C@@H]21 ZINC000333675142 563638676 /nfs/dbraw/zinc/63/86/76/563638676.db2.gz JSTQBEAEPONLFT-OCCSQVGLSA-N 1 0 383.926 2.788 20 0 GFADRO COC[C@H]([NH2+]CC(=O)N[C@@H](C)c1ccc(Cl)c(Cl)c1)[C@@H]1CCCO1 ZINC000434782039 563638658 /nfs/dbraw/zinc/63/86/58/563638658.db2.gz DWECEOHCJQMJTQ-UVBJJODRSA-N 1 0 375.296 2.954 20 0 GFADRO Cc1cc(S(=O)(=O)N2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)sc1Cl ZINC000333709020 563639927 /nfs/dbraw/zinc/63/99/27/563639927.db2.gz RYZRQDYZWAFVOY-OCCSQVGLSA-N 1 0 378.947 2.617 20 0 GFADRO O=C(NCC1(c2ccc(Cl)cc2Cl)CCC1)N1CCOC2(C[NH2+]C2)C1 ZINC000333698905 563640058 /nfs/dbraw/zinc/64/00/58/563640058.db2.gz DENBPXFSZPGTML-UHFFFAOYSA-N 1 0 384.307 2.799 20 0 GFADRO COC[C@@H]1C[C@H](O)C[N@@H+]1[C@H](C)C(=O)N[C@H](C)c1ccc(Cl)cc1Cl ZINC000411904871 563640234 /nfs/dbraw/zinc/64/02/34/563640234.db2.gz AQDHELJIKCUJPU-RFHZTLPTSA-N 1 0 375.296 2.641 20 0 GFADRO Cc1cc(C[NH2+]CCCn2cc(Br)cn2)ccc1-n1cncn1 ZINC000288387468 563640802 /nfs/dbraw/zinc/64/08/02/563640802.db2.gz GOFCSQLHXUNRHP-UHFFFAOYSA-N 1 0 375.274 2.715 20 0 GFADRO CO[C@@](C)([C@@H](C)[NH2+]Cc1nnnn1-c1ccccc1Br)C1CC1 ZINC000411952595 563642498 /nfs/dbraw/zinc/64/24/98/563642498.db2.gz RFALGQOINFGOOR-BZNIZROVSA-N 1 0 380.290 2.718 20 0 GFADRO [NH3+][C@H]1CCCO[C@H]1C1CCN(C(=O)c2cc(Br)ccc2F)CC1 ZINC000333844727 563643128 /nfs/dbraw/zinc/64/31/28/563643128.db2.gz OYGZLSYNLUJCIA-HOTGVXAUSA-N 1 0 385.277 2.947 20 0 GFADRO C[C@H](NC(=O)C[NH2+][C@H](CO)[C@@H]1CCCOC1)c1ccc(Cl)c(Cl)c1 ZINC000411986113 563643308 /nfs/dbraw/zinc/64/33/08/563643308.db2.gz PCQKNLKFTNFFAM-NORZTCDRSA-N 1 0 375.296 2.548 20 0 GFADRO OC[C@@H]([NH2+]Cc1c(F)c(F)c(Br)c(F)c1F)[C@H]1CCCOC1 ZINC000411990144 563643525 /nfs/dbraw/zinc/64/35/25/563643525.db2.gz QTOBXGXQDOSFOM-IONNQARKSA-N 1 0 386.183 2.883 20 0 GFADRO COC1([C@@H](C)[NH2+]CC(=O)Nc2cccc(I)c2)CCC1 ZINC000412019822 563644537 /nfs/dbraw/zinc/64/45/37/563644537.db2.gz GJLMAMQHNDVMGB-LLVKDONJSA-N 1 0 388.249 2.777 20 0 GFADRO COC1([C@@H](C)[NH2+]CC(=O)Nc2ccccc2I)CCC1 ZINC000412020391 563644627 /nfs/dbraw/zinc/64/46/27/563644627.db2.gz INSZFZSHHSBFSE-LLVKDONJSA-N 1 0 388.249 2.777 20 0 GFADRO C[C@]1(CNC(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)CCC[NH2+]C1 ZINC000333901723 563645135 /nfs/dbraw/zinc/64/51/35/563645135.db2.gz ZYQYXBHSFGYMNS-KRWDZBQOSA-N 1 0 386.327 2.610 20 0 GFADRO C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+]1C[C@@H]2CC[C@H](O)C[C@@H]2C1 ZINC000412051284 563646005 /nfs/dbraw/zinc/64/60/05/563646005.db2.gz WDHSWWFCNGOTAI-VUNQQRPYSA-N 1 0 395.341 2.889 20 0 GFADRO [NH3+][C@H]1CCc2nc(NC(=O)CNC(=O)c3ccc(Cl)c(Cl)c3)sc2C1 ZINC000288514961 563646252 /nfs/dbraw/zinc/64/62/52/563646252.db2.gz CDQZSYSGIGRCBD-VIFPVBQESA-N 1 0 399.303 2.634 20 0 GFADRO CC(C)[N@H+](C[C@H](O)COc1ccc(Cl)cc1Cl)C[C@@H]1CCC(=O)N1 ZINC000412076795 563646581 /nfs/dbraw/zinc/64/65/81/563646581.db2.gz LEOOSCSBDHABFA-KBPBESRZSA-N 1 0 375.296 2.722 20 0 GFADRO O=C(N[C@@H]1CCOc2ccc(Br)cc21)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000333948623 563646525 /nfs/dbraw/zinc/64/65/25/563646525.db2.gz WMDXTLFINCJCKR-PBHICJAKSA-N 1 0 380.286 2.668 20 0 GFADRO CC(C)(C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12)S(=O)(=O)c1ccc(Cl)cc1 ZINC000288565268 563648161 /nfs/dbraw/zinc/64/81/61/563648161.db2.gz FXYIRYAOTAOJNO-HZPDHXFCSA-N 1 0 384.929 2.635 20 0 GFADRO Cc1nc(C(=O)N(CC[NH+](C)C)Cc2ccccn2)c(Br)s1 ZINC000412212354 563649854 /nfs/dbraw/zinc/64/98/54/563649854.db2.gz SQGBLRPXBSAHHY-UHFFFAOYSA-N 1 0 383.315 2.813 20 0 GFADRO COCCN(Cc1scnc1C)C(=O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000412288792 563652287 /nfs/dbraw/zinc/65/22/87/563652287.db2.gz MDGGHVRPKVPATQ-INIZCTEOSA-N 1 0 383.583 2.644 20 0 GFADRO Cc1ncsc1CN(C[C@H]1CC[NH2+]C1)C(=O)CSC[C@@H]1CCCCO1 ZINC000435603140 563654467 /nfs/dbraw/zinc/65/44/67/563654467.db2.gz YZMZNLSBPTYEEL-HOTGVXAUSA-N 1 0 383.583 2.692 20 0 GFADRO Cc1cc(S(=O)(=O)N(C)CC[NH+]2CCCCC2)ccc1Br ZINC000435799948 563658964 /nfs/dbraw/zinc/65/89/64/563658964.db2.gz ROIKXLKBDJYARA-UHFFFAOYSA-N 1 0 375.332 2.864 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)[C@H]1CC(=O)Nc2ccc(Br)cc21 ZINC000435893768 563660044 /nfs/dbraw/zinc/66/00/44/563660044.db2.gz ORLIDEBQZQQNJH-IMJJTQAJSA-N 1 0 392.297 2.618 20 0 GFADRO COC[C@](C)(CCO)[NH2+]Cc1ccc(I)c(Cl)c1 ZINC000436146390 563665000 /nfs/dbraw/zinc/66/50/00/563665000.db2.gz AFTRBBCFBMYEJJ-ZDUSSCGKSA-N 1 0 383.657 2.822 20 0 GFADRO O=C(c1csc(-c2ccccc2Cl)n1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000289091790 563667553 /nfs/dbraw/zinc/66/75/53/563667553.db2.gz BNNJAIKHMYULGC-CYBMUJFWSA-N 1 0 376.913 2.583 20 0 GFADRO COCC[N@@H+]1CC[C@H](NC(=O)N[C@@H](C)c2ccc(Br)s2)C1 ZINC000436263178 563668503 /nfs/dbraw/zinc/66/85/03/563668503.db2.gz SAFAZDRIXCJLET-QWRGUYRKSA-N 1 0 376.320 2.592 20 0 GFADRO O=C(c1ccc(F)cc1I)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000289142915 563669648 /nfs/dbraw/zinc/66/96/48/563669648.db2.gz FSWHRUCVYGLFFO-HNNXBMFYSA-N 1 0 388.224 2.646 20 0 GFADRO C[C@H](Oc1ccc(F)cc1Br)C(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000289147055 563669768 /nfs/dbraw/zinc/66/97/68/563669768.db2.gz GAYWDCNIZVAJMO-YVEFUNNKSA-N 1 0 385.277 2.958 20 0 GFADRO CCO[C@@H]1C[C@](CO)([NH2+]Cc2cc3c(cc2Br)OCO3)C1(C)C ZINC000436387678 563669982 /nfs/dbraw/zinc/66/99/82/563669982.db2.gz KKIQNIWTONFBFG-NVXWUHKLSA-N 1 0 386.286 2.834 20 0 GFADRO Cn1nc(Br)cc1-c1nc(-c2ccccc2OCC[NH+](C)C)no1 ZINC000289198409 563671844 /nfs/dbraw/zinc/67/18/44/563671844.db2.gz XFPGLBJEQMBZDD-UHFFFAOYSA-N 1 0 392.257 2.840 20 0 GFADRO CN(C)CC[N@H+](C)CCCNC(=O)Nc1ccc(Cl)c(OC(F)F)c1 ZINC000436506518 563672848 /nfs/dbraw/zinc/67/28/48/563672848.db2.gz BNCSCWPAFIOKSM-UHFFFAOYSA-N 1 0 378.851 2.946 20 0 GFADRO C[C@@](O)(CNCc1cn(-c2ccccc2Br)nn1)c1ccco1 ZINC000289399357 563673485 /nfs/dbraw/zinc/67/34/85/563673485.db2.gz ABICMNYBHNFZTR-MRXNPFEDSA-N 1 0 377.242 2.620 20 0 GFADRO COC1CC[NH+](C(C)(C)CNC(=O)c2ccc(Br)cc2O)CC1 ZINC000436542407 563673696 /nfs/dbraw/zinc/67/36/96/563673696.db2.gz BOWTVFAYUYWAPJ-UHFFFAOYSA-N 1 0 385.302 2.774 20 0 GFADRO Cn1cc([C@H](O)C[NH2+]Cc2cc(Br)cc(Br)c2)cn1 ZINC000289526401 563677452 /nfs/dbraw/zinc/67/74/52/563677452.db2.gz BOUPGGVQYOJNKD-CYBMUJFWSA-N 1 0 389.091 2.768 20 0 GFADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1Cc1nc2ccccn2c1Br ZINC000289540807 563678017 /nfs/dbraw/zinc/67/80/17/563678017.db2.gz FRQBFFZWWCRRLA-CQSZACIVSA-N 1 0 393.329 2.782 20 0 GFADRO C[N@@H+]1CCC[C@@H]1C(=O)NC1CCN(Cc2cccc(Br)c2)CC1 ZINC000412974025 563678294 /nfs/dbraw/zinc/67/82/94/563678294.db2.gz RQAIMGYIHNOZEE-QGZVFWFLSA-N 1 0 380.330 2.624 20 0 GFADRO OCc1cn(CCC[NH2+]Cc2cc(C(F)(F)F)ccc2Br)nn1 ZINC000289689364 563683358 /nfs/dbraw/zinc/68/33/58/563683358.db2.gz CSTVFORKKCAOGO-UHFFFAOYSA-N 1 0 393.207 2.732 20 0 GFADRO COCCCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cccc(Cl)c1F ZINC000289698188 563683620 /nfs/dbraw/zinc/68/36/20/563683620.db2.gz WCQLKIJAFMASMX-UHFFFAOYSA-N 1 0 378.897 2.601 20 0 GFADRO O=C(c1cn(-c2ccc(Br)cc2)cn1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000289989900 563693689 /nfs/dbraw/zinc/69/36/89/563693689.db2.gz RDPYFLKLBPJUQC-SFHVURJKSA-N 1 0 389.297 2.851 20 0 GFADRO Brc1c(CN2CC[NH+](CC3CCOCC3)CC2)nc2ccccn21 ZINC000290049955 563695916 /nfs/dbraw/zinc/69/59/16/563695916.db2.gz OQJGBHYMXJEBTA-UHFFFAOYSA-N 1 0 393.329 2.641 20 0 GFADRO O=C(C[N@@H+]1CCS[C@H]2CCCC[C@H]21)N1CCN(Cc2ccsc2)CC1 ZINC000437507295 563696098 /nfs/dbraw/zinc/69/60/98/563696098.db2.gz LULHOFUACDCAES-MSOLQXFVSA-N 1 0 379.595 2.752 20 0 GFADRO CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@H+](Cc2cnc([C@H](C)O)s2)C1 ZINC000290114671 563699010 /nfs/dbraw/zinc/69/90/10/563699010.db2.gz SZCXXWPFBBYPPZ-NWDGAFQWSA-N 1 0 379.448 2.819 20 0 GFADRO Brc1c(CNC2CC[NH+](C[C@@H]3CCOC3)CC2)nc2ccccn21 ZINC000290208353 563701346 /nfs/dbraw/zinc/70/13/46/563701346.db2.gz DPEKDVBHBUTRBG-AWEZNQCLSA-N 1 0 393.329 2.687 20 0 GFADRO Cc1c(Br)cccc1C(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000362065376 563703807 /nfs/dbraw/zinc/70/38/07/563703807.db2.gz KOCDQKGVQHWFEY-KDOFPFPSSA-N 1 0 394.357 2.856 20 0 GFADRO C[NH+](C)CCN1CCCN(C(=O)[C@H]2C[C@@H]2c2ccc(Br)cc2)CC1 ZINC000362833853 563709290 /nfs/dbraw/zinc/70/92/90/563709290.db2.gz HOBIGUXKXFEWNU-MSOLQXFVSA-N 1 0 394.357 2.649 20 0 GFADRO COCCC[N@@H+]1CCCN(C(=O)NCc2sccc2Br)CC1 ZINC000363117667 563714801 /nfs/dbraw/zinc/71/48/01/563714801.db2.gz JRHDQOBLSZTVJR-UHFFFAOYSA-N 1 0 390.347 2.764 20 0 GFADRO COc1ccc(I)c(NC(=O)N[C@@H](C[NH3+])CC(C)C)c1 ZINC000415067685 563757930 /nfs/dbraw/zinc/75/79/30/563757930.db2.gz CRYZSUQJGAQWAO-SNVBAGLBSA-N 1 0 391.253 2.795 20 0 GFADRO CSC1(C[NH2+][C@@H](C)Cn2cc(Br)ccc2=O)CCOCC1 ZINC000414082399 563718136 /nfs/dbraw/zinc/71/81/36/563718136.db2.gz CESKGUJOQSAKEX-LBPRGKRZSA-N 1 0 375.332 2.501 20 0 GFADRO O=C(c1coc(-c2ccc(Br)cc2F)n1)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000290687876 563718630 /nfs/dbraw/zinc/71/86/30/563718630.db2.gz UMONPODAKPGZNM-GHMZBOCLSA-N 1 0 394.244 2.925 20 0 GFADRO COCC[C@H](Cc1ccco1)[NH2+][C@H](C)Cn1cc(Br)ccc1=O ZINC000414109796 563719750 /nfs/dbraw/zinc/71/97/50/563719750.db2.gz NLRDMNYNBFWXLV-UKRRQHHQSA-N 1 0 383.286 2.830 20 0 GFADRO CO[C@@H](C[NH2+][C@@H](C)Cn1cc(Br)ccc1=O)Cc1ccccc1 ZINC000414136246 563720587 /nfs/dbraw/zinc/72/05/87/563720587.db2.gz IURCHWXDMFQHOI-WMLDXEAASA-N 1 0 379.298 2.847 20 0 GFADRO C[C@H](CNS(=O)(=O)c1ccc(F)c(Br)c1)C[NH+]1CCCCC1 ZINC000439253717 563721319 /nfs/dbraw/zinc/72/13/19/563721319.db2.gz SUUHNJBXBDCDKE-GFCCVEGCSA-N 1 0 393.322 2.989 20 0 GFADRO COC1CCC([NH2+][C@H](C)c2ccc(Br)c(S(N)(=O)=O)c2)CC1 ZINC000414187468 563721882 /nfs/dbraw/zinc/72/18/82/563721882.db2.gz QQCPPOAXMGYVNA-QFWMXSHPSA-N 1 0 391.331 2.705 20 0 GFADRO Brc1cncc(Br)c1C[NH2+]CCCO[C@@H]1CCOC1 ZINC000290810925 563722147 /nfs/dbraw/zinc/72/21/47/563722147.db2.gz GDBVQJJGNKCFPS-SNVBAGLBSA-N 1 0 394.107 2.892 20 0 GFADRO C[C@@H]1CC[N@H+](C)CCN1C(=O)C(=O)Nc1ccc(Cl)c(Br)c1 ZINC000439350159 563722722 /nfs/dbraw/zinc/72/27/22/563722722.db2.gz CCQPDFVZRKDVIR-SNVBAGLBSA-N 1 0 388.693 2.594 20 0 GFADRO C[C@@H](C[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1)c1ccccc1 ZINC000414245028 563723154 /nfs/dbraw/zinc/72/31/54/563723154.db2.gz BLHWQYKFLDFRMH-LBPRGKRZSA-N 1 0 383.311 2.990 20 0 GFADRO CN(C)S(=O)(=O)n1ccnc1C[NH2+]CC1(c2cccs2)CCCCC1 ZINC000290841963 563723464 /nfs/dbraw/zinc/72/34/64/563723464.db2.gz IVNSATRKRLAEPU-UHFFFAOYSA-N 1 0 382.555 2.591 20 0 GFADRO C[C@@H](Cc1cccs1)[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000414265360 563723815 /nfs/dbraw/zinc/72/38/15/563723815.db2.gz LKRBHJOBTUZJFL-JTQLQIEISA-N 1 0 389.340 2.879 20 0 GFADRO Cc1nnc(CCNC(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)s1 ZINC000290886655 563725074 /nfs/dbraw/zinc/72/50/74/563725074.db2.gz STMVLVJNGLZKQT-AWEZNQCLSA-N 1 0 379.555 2.662 20 0 GFADRO CCCC[N@H+](C)C[C@@H](C)NC(=O)c1cc2c(cc1Br)NC(=O)CO2 ZINC000290913255 563725401 /nfs/dbraw/zinc/72/54/01/563725401.db2.gz LVQHKZSYIXGWTR-LLVKDONJSA-N 1 0 398.301 2.630 20 0 GFADRO CCOc1ccc(C[NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)cc1 ZINC000414305517 563725578 /nfs/dbraw/zinc/72/55/78/563725578.db2.gz NLLNPVFSEYKYER-UHFFFAOYSA-N 1 0 399.310 2.785 20 0 GFADRO CC(C)(C)[C@H](CCO)[NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000439447808 563725544 /nfs/dbraw/zinc/72/55/44/563725544.db2.gz YIJCZTRLIUBTNO-HIFRSBDPSA-N 1 0 378.282 2.715 20 0 GFADRO O[C@H](COc1cc(F)cc(Br)c1)C[N@@H+]1CCC[C@@H]2COCC[C@H]21 ZINC000439459264 563726457 /nfs/dbraw/zinc/72/64/57/563726457.db2.gz VUVIBIIVSAQLGR-ISTRZQFTSA-N 1 0 388.277 2.829 20 0 GFADRO CC(C)(C)[NH2+]CCNC(=O)[C@H](c1ccc(Cl)cc1Cl)N1CCOCC1 ZINC000439493446 563727407 /nfs/dbraw/zinc/72/74/07/563727407.db2.gz OTKOOYHEPPPXLQ-INIZCTEOSA-N 1 0 388.339 2.871 20 0 GFADRO CS(=O)(=O)c1ccc(C[NH2+]CC2(N3CCSCC3)CCCCC2)s1 ZINC000414345823 563728273 /nfs/dbraw/zinc/72/82/73/563728273.db2.gz FHGHFOWYDPUWTL-UHFFFAOYSA-N 1 0 388.624 2.993 20 0 GFADRO NC(=O)c1cn(CCCC[NH2+][C@H]2CCCc3c(Br)cccc32)nn1 ZINC000414352604 563728282 /nfs/dbraw/zinc/72/82/82/563728282.db2.gz PWAVVFDLEZTTMO-HNNXBMFYSA-N 1 0 392.301 2.587 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+]CCCC(F)(F)F)cc1Br ZINC000414361726 563729123 /nfs/dbraw/zinc/72/91/23/563729123.db2.gz IHVJSKHBCUUCRY-UHFFFAOYSA-N 1 0 375.210 2.529 20 0 GFADRO CN(C)c1nc2sc(C(=O)N3C[C@@H]4C[N@@H+]5CCCC[C@H]5[C@H]4C3)cc2s1 ZINC000363659560 563729264 /nfs/dbraw/zinc/72/92/64/563729264.db2.gz JJOXNMHJFBMSIT-AVGNSLFASA-N 1 0 376.551 2.980 20 0 GFADRO C[C@H]1C[C@H]([NH2+]CCCCn2cc(C(N)=O)nn2)c2cccc(Br)c21 ZINC000414354656 563729393 /nfs/dbraw/zinc/72/93/93/563729393.db2.gz VSIHFYJBIYOTTA-FZMZJTMJSA-N 1 0 392.301 2.758 20 0 GFADRO CCc1n[nH]c(C(=O)NC2CCN(c3ccc(C)cn3)CC2)c1Br ZINC000363764357 563732189 /nfs/dbraw/zinc/73/21/89/563732189.db2.gz IHLWYEKXHDHMED-UHFFFAOYSA-N 1 0 392.301 2.837 20 0 GFADRO CCC[NH+](CCC)CCCNC(=O)c1nc2ccc(Br)cn2n1 ZINC000414406390 563734412 /nfs/dbraw/zinc/73/44/12/563734412.db2.gz VRHNULIZXGAJDS-UHFFFAOYSA-N 1 0 382.306 2.734 20 0 GFADRO CN(C)c1cc[nH+]cc1C(=O)N1CCC(Cn2cc(Br)cn2)CC1 ZINC000363874846 563735624 /nfs/dbraw/zinc/73/56/24/563735624.db2.gz JREAUCATCBWLRV-UHFFFAOYSA-N 1 0 392.301 2.659 20 0 GFADRO CN(Cc1ccc(S(C)(=O)=O)s1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000414439226 563737421 /nfs/dbraw/zinc/73/74/21/563737421.db2.gz WPRCYOQUVQOGMX-UHFFFAOYSA-N 1 0 379.551 2.895 20 0 GFADRO CCOc1ccc(S(=O)(=O)N[C@@H](C)[C@H]2CCC[NH2+]C2)cc1Br ZINC000440335602 563738854 /nfs/dbraw/zinc/73/88/54/563738854.db2.gz GGTCJRZTBNQPDM-RYUDHWBXSA-N 1 0 391.331 2.514 20 0 GFADRO C[C@@H](NS(=O)(=O)c1cc(Br)sc1Cl)[C@@H]1CCC[NH2+]C1 ZINC000440355792 563740311 /nfs/dbraw/zinc/74/03/11/563740311.db2.gz GPLNDVLODODJMI-HTQZYQBOSA-N 1 0 387.752 2.830 20 0 GFADRO Cc1ccc(Br)nc1C(=O)N1CCC(C)(C[NH+]2CCOCC2)CC1 ZINC000364035123 563740792 /nfs/dbraw/zinc/74/07/92/563740792.db2.gz IGTLJCBQUXRHIW-UHFFFAOYSA-N 1 0 396.329 2.727 20 0 GFADRO C[NH2+]C[C@H](C)CNS(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000440429402 563742383 /nfs/dbraw/zinc/74/23/83/563742383.db2.gz RQVWRAFHZJFLOW-QMMMGPOBSA-N 1 0 378.338 2.858 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCCN(S(=O)(=O)c2cc(Br)sc2Cl)C1 ZINC000440443889 563742411 /nfs/dbraw/zinc/74/24/11/563742411.db2.gz OCCMVXJNMKYVTG-JGVFFNPUSA-N 1 0 387.752 2.912 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S(=O)(=O)CC[NH2+][C@@H]1CCCC[C@H]1C ZINC000440512884 563743971 /nfs/dbraw/zinc/74/39/71/563743971.db2.gz LJBUSHMPIAIMFO-HZPDHXFCSA-N 1 0 387.567 2.812 20 0 GFADRO C[C@]1(C[NH2+][C@H](C(N)=O)c2ccc(Br)cc2F)CCO[C@@H]1C1CC1 ZINC000364136995 563744622 /nfs/dbraw/zinc/74/46/22/563744622.db2.gz DNVCKUYEAQFRJE-ZMSDIMECSA-N 1 0 385.277 2.909 20 0 GFADRO O=C(Nc1nnc(-c2cccc(Br)c2)s1)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000364214815 563745810 /nfs/dbraw/zinc/74/58/10/563745810.db2.gz MFAJEYSEYFSXEJ-NHYWBVRUSA-N 1 0 379.283 2.906 20 0 GFADRO O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)Nc1cc(Cl)ccc1Cl ZINC000414657195 563749246 /nfs/dbraw/zinc/74/92/46/563749246.db2.gz GWYXUWHTBIZWTH-LBPRGKRZSA-N 1 0 385.217 2.951 20 0 GFADRO C[C@@H]1CN(S(=O)(=O)c2ccc3cc(Br)ccc3c2)CC[C@@H]1[NH3+] ZINC000440746607 563749568 /nfs/dbraw/zinc/74/95/68/563749568.db2.gz JTYSJVUJTJSJPF-BZNIZROVSA-N 1 0 383.311 2.960 20 0 GFADRO [NH3+]CC[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2Br)C1 ZINC000440801481 563750075 /nfs/dbraw/zinc/75/00/75/563750075.db2.gz PGZJIILEOMUZSE-SNVBAGLBSA-N 1 0 381.723 2.852 20 0 GFADRO O=C(NC[C@@H]1C[NH2+]CCO1)Nc1ccc(Br)c(C(F)(F)F)c1 ZINC000414704915 563750808 /nfs/dbraw/zinc/75/08/08/563750808.db2.gz DSCGURXAMOJAFG-VIFPVBQESA-N 1 0 382.180 2.578 20 0 GFADRO O=C(NCC[NH2+]Cc1cc(C(F)(F)F)n[nH]1)c1cccc(Br)c1 ZINC000440827127 563750865 /nfs/dbraw/zinc/75/08/65/563750865.db2.gz PFJSRNDEZKOTRB-UHFFFAOYSA-N 1 0 391.191 2.711 20 0 GFADRO C[C@H](CC[NH3+])NS(=O)(=O)c1ccc(Br)c(Cl)c1Cl ZINC000440827499 563751052 /nfs/dbraw/zinc/75/10/52/563751052.db2.gz QYLKBKUTDQSGCG-ZCFIWIBFSA-N 1 0 376.103 2.772 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CCN(S(=O)(=O)c2ccc3cc(Br)ccc3c2)C1 ZINC000440832894 563751057 /nfs/dbraw/zinc/75/10/57/563751057.db2.gz NKFNRJAPBUAUIS-BXUZGUMPSA-N 1 0 383.311 2.960 20 0 GFADRO COCCCOc1ccc(Cl)cc1S(=O)(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000440835495 563751159 /nfs/dbraw/zinc/75/11/59/563751159.db2.gz DFQRNJVFPOCYDW-HNNXBMFYSA-N 1 0 390.933 2.551 20 0 GFADRO C[C@H]1C[C@@H](C[NH3+])CN1S(=O)(=O)c1ccc2cc(Br)ccc2c1 ZINC000440841796 563751565 /nfs/dbraw/zinc/75/15/65/563751565.db2.gz DDIFOQDXYDJJHT-RYUDHWBXSA-N 1 0 383.311 2.960 20 0 GFADRO C[C@H]1Cc2cc(S(=O)(=O)N3CCC([C@@H]4CCC[NH2+]4)CC3)cc(Cl)c2O1 ZINC000440848766 563752443 /nfs/dbraw/zinc/75/24/43/563752443.db2.gz WGEFDMJRBSGKKS-SJCJKPOMSA-N 1 0 384.929 2.816 20 0 GFADRO C[C@@]1(CNS(=O)(=O)c2c(Cl)cc(F)cc2Br)CCC[NH2+]C1 ZINC000440858685 563752487 /nfs/dbraw/zinc/75/24/87/563752487.db2.gz LUDOSGVCDRCYQJ-CYBMUJFWSA-N 1 0 399.713 2.910 20 0 GFADRO CSC[C@@H](O)C[NH2+][C@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1 ZINC000364436482 563752916 /nfs/dbraw/zinc/75/29/16/563752916.db2.gz YLBFBVHSKUORRZ-LSDHHAIUSA-N 1 0 376.444 2.682 20 0 GFADRO CSC[C@H](O)C[NH2+][C@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1 ZINC000364436481 563752945 /nfs/dbraw/zinc/75/29/45/563752945.db2.gz YLBFBVHSKUORRZ-HUUCEWRRSA-N 1 0 376.444 2.682 20 0 GFADRO C[NH+](C)CCC1CCN(C(=O)c2nc(C3CC3)ncc2Br)CC1 ZINC000291691586 563754467 /nfs/dbraw/zinc/75/44/67/563754467.db2.gz FSFIABPRTZYZPZ-UHFFFAOYSA-N 1 0 381.318 2.920 20 0 GFADRO CCOC(=O)COc1c(Br)cc(C)cc1CN[C@H]1CC[NH2+][C@H](C)C1 ZINC000414962561 563755590 /nfs/dbraw/zinc/75/55/90/563755590.db2.gz ZTTLZAPLMGQUCO-HIFRSBDPSA-N 1 0 399.329 2.930 20 0 GFADRO COc1cc(Br)c(NC(=O)NC[C@]2(C)CCC[NH2+]C2)cc1OC ZINC000414992544 563756349 /nfs/dbraw/zinc/75/63/49/563756349.db2.gz KRCDMAYREFAINU-MRXNPFEDSA-N 1 0 386.290 2.978 20 0 GFADRO CC(C)(CNC(=O)c1nc(C2CC2)ncc1Br)C[NH+]1CCCC1 ZINC000291732316 563756414 /nfs/dbraw/zinc/75/64/14/563756414.db2.gz JTRXNLQXPXWAQQ-UHFFFAOYSA-N 1 0 381.318 2.968 20 0 GFADRO C[C@H](C[NH3+])NC(=O)Nc1cc(Br)ccc1I ZINC000415031674 563757002 /nfs/dbraw/zinc/75/70/02/563757002.db2.gz GSOXVNVEOYRNME-ZCFIWIBFSA-N 1 0 398.042 2.522 20 0 GFADRO C[C@H](C[NH3+])CNC(=O)Nc1ccc(=O)n(Cc2ccc(Cl)c(Cl)c2)c1 ZINC000415046675 563757198 /nfs/dbraw/zinc/75/71/98/563757198.db2.gz DCJIXKAVTPMBJP-LLVKDONJSA-N 1 0 383.279 2.920 20 0 GFADRO C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@@H]1NC(=O)Cc1ccc(Br)cc1 ZINC000364552966 563757545 /nfs/dbraw/zinc/75/75/45/563757545.db2.gz ALDTWSPYKDHSFJ-OLMNPRSZSA-N 1 0 395.341 2.997 20 0 GFADRO CO[C@@H]1CC[N@H+](C[C@H](O)COc2cc(F)cc(Br)c2)[C@@H](C)C1 ZINC000441344661 563757921 /nfs/dbraw/zinc/75/79/21/563757921.db2.gz DMHLCXNNRYZCHP-TUKIKUTGSA-N 1 0 376.266 2.827 20 0 GFADRO Cc1nn(C(C)C)cc1C[NH2+]CCNS(=O)(=O)c1ccc(Cl)cc1F ZINC000441335316 563758232 /nfs/dbraw/zinc/75/82/32/563758232.db2.gz XZPSQOIPUFMQOV-UHFFFAOYSA-N 1 0 388.896 2.633 20 0 GFADRO C[N@@H+]1CC[C@@H](CNC(=O)c2cncc(Br)c2)[C@@H]1c1cccnc1 ZINC000364576449 563758659 /nfs/dbraw/zinc/75/86/59/563758659.db2.gz ULVFOAWHSCZYDH-BBRMVZONSA-N 1 0 375.270 2.662 20 0 GFADRO O=S(=O)(NCC[NH2+]Cc1scnc1C1CC1)c1ccc(Cl)cc1F ZINC000441380296 563759005 /nfs/dbraw/zinc/75/90/05/563759005.db2.gz QNVWAOZLZJTLGJ-UHFFFAOYSA-N 1 0 389.905 2.881 20 0 GFADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)Nc1c(F)cc(F)cc1Br ZINC000364609165 563759422 /nfs/dbraw/zinc/75/94/22/563759422.db2.gz PYLKQSYRYISKCZ-GHMZBOCLSA-N 1 0 390.228 2.712 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)Nc2cc(F)c(I)c(F)c2)CC[NH2+]1 ZINC000415114394 563759732 /nfs/dbraw/zinc/75/97/32/563759732.db2.gz GDSOTSUDKHHAKV-HTQZYQBOSA-N 1 0 395.191 2.831 20 0 GFADRO CCOc1ccc(Br)cc1NC(=O)N1CC[C@H](OC)C[C@H]1C[NH3+] ZINC000415126630 563760300 /nfs/dbraw/zinc/76/03/00/563760300.db2.gz PVYPRJWWHURVEJ-STQMWFEESA-N 1 0 386.290 2.818 20 0 GFADRO [NH3+]Cc1cn([C@@H]2CCCN(Cc3cc(Br)ccc3Cl)C2)nn1 ZINC000415134915 563760427 /nfs/dbraw/zinc/76/04/27/563760427.db2.gz WIYIUDLYYQEEEH-CQSZACIVSA-N 1 0 384.709 2.990 20 0 GFADRO [NH3+][C@H](CNC(=O)Nc1cc(Br)cnc1OCC(F)(F)F)C1CC1 ZINC000415165916 563760941 /nfs/dbraw/zinc/76/09/41/563760941.db2.gz DGPMWUXPGQNFHC-SECBINFHSA-N 1 0 397.195 2.644 20 0 GFADRO C[NH2+]CCCNC(=O)Nc1cc(Br)cnc1OCC(F)(F)F ZINC000415177742 563761838 /nfs/dbraw/zinc/76/18/38/563761838.db2.gz RHFFIJNRERLBNN-UHFFFAOYSA-N 1 0 385.184 2.516 20 0 GFADRO CC1(C)CCC[NH2+][C@H]1CNC(=O)Nc1ccc(NS(C)(=O)=O)c(Cl)c1 ZINC000415200120 563762161 /nfs/dbraw/zinc/76/21/61/563762161.db2.gz IIRFQMBEJZJTNI-AWEZNQCLSA-N 1 0 388.921 2.611 20 0 GFADRO O=C(NC[C@@H]1C[NH2+]CCO1)Nc1cc(Br)cc(C(F)(F)F)c1 ZINC000415214339 563762525 /nfs/dbraw/zinc/76/25/25/563762525.db2.gz PEVRFSBOFJKVTL-NSHDSACASA-N 1 0 382.180 2.578 20 0 GFADRO C[NH2+]C[C@@H](C)CNC(=O)Nc1ccc(CCn2cc(Br)cn2)cc1 ZINC000415207738 563762609 /nfs/dbraw/zinc/76/26/09/563762609.db2.gz GEDNONDQOCVLGH-CYBMUJFWSA-N 1 0 394.317 2.865 20 0 GFADRO C[C@H]1CN(C(=O)Nc2cc(F)c(F)cc2I)CC[C@H]1[NH3+] ZINC000415242283 563763695 /nfs/dbraw/zinc/76/36/95/563763695.db2.gz UKTVXRFSHDDOPD-WRWORJQWSA-N 1 0 395.191 2.770 20 0 GFADRO C[C@@H]1CN(C(=O)Nc2ccc(F)cc2I)CC[C@H]1[NH3+] ZINC000415252759 563764013 /nfs/dbraw/zinc/76/40/13/563764013.db2.gz OWSFMVMYAWPPOE-LDYMZIIASA-N 1 0 377.201 2.631 20 0 GFADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)Nc1c(F)cc(Br)cc1F ZINC000441809910 563764312 /nfs/dbraw/zinc/76/43/12/563764312.db2.gz UDVUIMNGGZYJCA-VIFPVBQESA-N 1 0 392.244 2.512 20 0 GFADRO C[NH+](C)[C@H]1CCc2ccccc2[C@@H]1NC(=O)c1c[nH]c(=O)c(Br)c1 ZINC000364833457 563765808 /nfs/dbraw/zinc/76/58/08/563765808.db2.gz KQQOWECJZPQPMS-HOTGVXAUSA-N 1 0 390.281 2.897 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)Nc2cc(Br)ccc2N2CCCC2)CCCO1 ZINC000415299838 563766162 /nfs/dbraw/zinc/76/61/62/563766162.db2.gz NCFPHKZAXKMWAX-CQSZACIVSA-N 1 0 397.317 2.631 20 0 GFADRO O=C(NC[C@H]1CCC[NH2+]C1)C(=O)Nc1cccnc1-c1ccc(Cl)s1 ZINC000415321553 563766721 /nfs/dbraw/zinc/76/67/21/563766721.db2.gz ADOQOOZMAIPBHM-NSHDSACASA-N 1 0 378.885 2.518 20 0 GFADRO COC(=O)c1cc(Br)ccc1NC(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000415322134 563766936 /nfs/dbraw/zinc/76/69/36/563766936.db2.gz BJLXCFABMUUICA-GWCFXTLKSA-N 1 0 384.274 2.875 20 0 GFADRO COC(=O)c1ccc(S(=O)(=O)NC[C@@H](C)[N@@H+]2CCCC[C@H]2C)cc1Cl ZINC000441984049 563766953 /nfs/dbraw/zinc/76/69/53/563766953.db2.gz BNABYSICSLOQJJ-CHWSQXEVSA-N 1 0 388.917 2.668 20 0 GFADRO C[C@H](CO)[N@@H+]1CCCN(Cc2nc(-c3cccc(Br)c3)c[nH]2)CC1 ZINC000364915729 563768530 /nfs/dbraw/zinc/76/85/30/563768530.db2.gz AQRKPPSJABBIQH-CQSZACIVSA-N 1 0 393.329 2.728 20 0 GFADRO C[C@H](C(=O)N1CCCCC1)[NH+]1CCC(Cn2cc(Br)cn2)CC1 ZINC000364918138 563768846 /nfs/dbraw/zinc/76/88/46/563768846.db2.gz QPWZBDNAVXGHMO-CQSZACIVSA-N 1 0 383.334 2.759 20 0 GFADRO Cc1ccc(-c2csc(NC(=O)C(=O)N[C@H](C)[C@@H]3CCC[NH2+]C3)n2)s1 ZINC000415351564 563769336 /nfs/dbraw/zinc/76/93/36/563769336.db2.gz JQRXZRIDYYIXIY-VXGBXAGGSA-N 1 0 378.523 2.623 20 0 GFADRO Cc1ccc(C[NH2+][C@@H](C)C2CCS(=O)(=O)CC2)c(-n2cc(Cl)cn2)n1 ZINC000364952354 563769376 /nfs/dbraw/zinc/76/93/76/563769376.db2.gz BLYPHXFMWQJPKM-ZDUSSCGKSA-N 1 0 382.917 2.532 20 0 GFADRO C[C@H](CO)[N@@H+]1CCCN(C(=O)Nc2cc(F)c(Br)cc2F)CC1 ZINC000364937269 563769709 /nfs/dbraw/zinc/76/97/09/563769709.db2.gz PZORINOECYSYNM-SNVBAGLBSA-N 1 0 392.244 2.648 20 0 GFADRO C[C@@H](CCCC[NH3+])NC(=O)c1cc(S(=O)(=O)NC(C)(C)C)ccc1Cl ZINC000292022869 563769782 /nfs/dbraw/zinc/76/97/82/563769782.db2.gz FQBQKOAACAFOEI-LBPRGKRZSA-N 1 0 389.949 2.664 20 0 GFADRO [NH3+]CC[C@@H](NC(=O)Nc1cnn(-c2ccccc2Br)c1)C(F)F ZINC000415360293 563770644 /nfs/dbraw/zinc/77/06/44/563770644.db2.gz XLNOBFGHLGHSSD-LLVKDONJSA-N 1 0 388.216 2.739 20 0 GFADRO C[N@@H+]1CC[C@@]2(CCN(S(=O)(=O)c3cccc(Cl)c3Br)C2)C1 ZINC000292048099 563771246 /nfs/dbraw/zinc/77/12/46/563771246.db2.gz NHYBKQJATOOKFD-CQSZACIVSA-N 1 0 393.734 2.819 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)cc1Br ZINC000442328483 563771808 /nfs/dbraw/zinc/77/18/08/563771808.db2.gz CNUDVZNPXWOWRW-ZDUSSCGKSA-N 1 0 394.313 2.771 20 0 GFADRO CCCN(C(=O)C(=O)Nc1ccc(Br)cc1CC)[C@H]1CC[NH2+]C1 ZINC000415390220 563772144 /nfs/dbraw/zinc/77/21/44/563772144.db2.gz HCYOACXGBJRZNM-AWEZNQCLSA-N 1 0 382.302 2.551 20 0 GFADRO COC(=O)c1cc(NC(=O)N[C@H]2CC[NH2+]CC2(C)C)ccc1Br ZINC000415402148 563773115 /nfs/dbraw/zinc/77/31/15/563773115.db2.gz IKHWIYFJWVTXTA-ZDUSSCGKSA-N 1 0 384.274 2.745 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)NCC[C@@H]2CCC[NH2+]C2)cc1Br ZINC000415409662 563773589 /nfs/dbraw/zinc/77/35/89/563773589.db2.gz JAAFDFOLUBKPRJ-ZDUSSCGKSA-N 1 0 382.302 2.510 20 0 GFADRO [NH3+][C@H]1CCC[C@@]12CCN(C(=O)/C=C/c1ccc(I)o1)C2 ZINC000365094854 563773808 /nfs/dbraw/zinc/77/38/08/563773808.db2.gz PFGGYRLRHTTXCR-GLIVKDKESA-N 1 0 386.233 2.627 20 0 GFADRO CC(=O)c1ccc(S(=O)(=O)NC2CC[NH+](Cc3cccs3)CC2)cc1 ZINC000365104747 563774021 /nfs/dbraw/zinc/77/40/21/563774021.db2.gz KIHRSPXQVKHYBY-UHFFFAOYSA-N 1 0 378.519 2.894 20 0 GFADRO Cc1nn(C)c(CNC[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)c1Br ZINC000365099472 563774038 /nfs/dbraw/zinc/77/40/38/563774038.db2.gz MHCCSLMXEPHVBF-YOEHRIQHSA-N 1 0 378.318 2.669 20 0 GFADRO COc1cc(NC(=O)N[C@H]2CC[NH2+]CC2(C)C)cc(OC)c1Br ZINC000415419350 563774137 /nfs/dbraw/zinc/77/41/37/563774137.db2.gz ZSVBJUQUGSHVCP-ZDUSSCGKSA-N 1 0 386.290 2.976 20 0 GFADRO Cc1ccc(-c2csc(NC(=O)C(=O)NCC[C@H]3CCC[NH2+]C3)n2)s1 ZINC000415417548 563774151 /nfs/dbraw/zinc/77/41/51/563774151.db2.gz WACOSGWGSYOKSL-GFCCVEGCSA-N 1 0 378.523 2.624 20 0 GFADRO CSc1ccc(C)c(NC(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)c1 ZINC000415419954 563774381 /nfs/dbraw/zinc/77/43/81/563774381.db2.gz VUXXERQDJMOPJB-AWEZNQCLSA-N 1 0 376.448 2.675 20 0 GFADRO [NH3+][C@@H]1CCC[C@]12CCN(C(=O)C[C@H]1Sc3ccc(Cl)cc3NC1=O)C2 ZINC000365107183 563774740 /nfs/dbraw/zinc/77/47/40/563774740.db2.gz YAFRZQSLKZWYNB-IIDMSEBBSA-N 1 0 379.913 2.873 20 0 GFADRO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)Nc1cc(Cl)ccc1OC(F)(F)F ZINC000415427244 563774814 /nfs/dbraw/zinc/77/48/14/563774814.db2.gz MTRFSBWGGZMTHU-JTQLQIEISA-N 1 0 381.782 2.667 20 0 GFADRO COCCOc1ccc(Br)cc1NC(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000415427523 563775100 /nfs/dbraw/zinc/77/51/00/563775100.db2.gz OTWHAVHJWRGYJX-BXUZGUMPSA-N 1 0 386.290 2.594 20 0 GFADRO COCCOc1ccc(Br)cc1NC(=O)N1C[C@H](C[NH3+])C[C@H]1C ZINC000415435615 563775757 /nfs/dbraw/zinc/77/57/57/563775757.db2.gz ZOZQFXGISZIREL-NEPJUHHUSA-N 1 0 386.290 2.675 20 0 GFADRO Cn1ccc(N2CC[C@H]([NH2+]Cc3ccc(Br)c(Cl)c3)C2=O)n1 ZINC000365190681 563776316 /nfs/dbraw/zinc/77/63/16/563776316.db2.gz IINBZULJQRLURD-ZDUSSCGKSA-N 1 0 383.677 2.731 20 0 GFADRO Cc1ncc(Br)cc1NC(=O)C(=O)NCC[NH2+]C1CCCCCC1 ZINC000415457876 563776919 /nfs/dbraw/zinc/77/69/19/563776919.db2.gz ZBJHTLKMTPULAO-UHFFFAOYSA-N 1 0 397.317 2.520 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)Nc2ccc(C(F)(F)F)cc2Cl)C1 ZINC000415458640 563777117 /nfs/dbraw/zinc/77/71/17/563777117.db2.gz YQSPGWBXCRAIPN-ZJUUUORDSA-N 1 0 377.794 2.883 20 0 GFADRO COC(=O)c1cc(Br)c(F)cc1NC(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000415468564 563777610 /nfs/dbraw/zinc/77/76/10/563777610.db2.gz KEIBTODPMVCLPP-SECBINFHSA-N 1 0 388.237 2.638 20 0 GFADRO COC(=O)c1cc(Br)c(F)cc1NC(=O)N1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000415472914 563777693 /nfs/dbraw/zinc/77/76/93/563777693.db2.gz ZTFQBCXVIWMQLG-UFBFGSQYSA-N 1 0 388.237 2.576 20 0 GFADRO O=C([C@@H]1C[NH+]2CCC1CC2)N1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000365218672 563777748 /nfs/dbraw/zinc/77/77/48/563777748.db2.gz HVFZNHJMNMEUOZ-IAGOWNOFSA-N 1 0 379.298 2.691 20 0 GFADRO C[C@H]([NH3+])C1CCN(C(=O)Nc2cc(Br)cnc2-n2cccn2)CC1 ZINC000415476339 563778306 /nfs/dbraw/zinc/77/83/06/563778306.db2.gz BPRZBYFGRFSKBQ-NSHDSACASA-N 1 0 393.289 2.621 20 0 GFADRO O=C(Nc1ccc(Cl)cc1C(F)(F)F)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000415474705 563778348 /nfs/dbraw/zinc/77/83/48/563778348.db2.gz MLAFAYGPPAMLGR-MNOVXSKESA-N 1 0 375.778 2.650 20 0 GFADRO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)Nc1ccc(Cl)c(OC(F)F)c1 ZINC000415492408 563779080 /nfs/dbraw/zinc/77/90/80/563779080.db2.gz BWJZIUAOERQJHR-GFCCVEGCSA-N 1 0 377.819 2.712 20 0 GFADRO COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000365278961 563779171 /nfs/dbraw/zinc/77/91/71/563779171.db2.gz XJPPZWNJYUHTOY-MNOVXSKESA-N 1 0 386.279 2.684 20 0 GFADRO C[N@@H+]1CC[C@]2(CCN(CC(=O)Nc3c(F)cc(F)cc3Br)C2)C1 ZINC000292225540 563779573 /nfs/dbraw/zinc/77/95/73/563779573.db2.gz VHJZGWBBADZVCF-INIZCTEOSA-N 1 0 388.256 2.693 20 0 GFADRO CCCC[C@H](C[NH3+])NC(=O)C(=O)Nc1cc(Cl)c(OCC)c(Cl)c1 ZINC000415503044 563780190 /nfs/dbraw/zinc/78/01/90/563780190.db2.gz UIHGGDCREJUVLQ-SNVBAGLBSA-N 1 0 376.284 2.964 20 0 GFADRO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000415509913 563780763 /nfs/dbraw/zinc/78/07/63/563780763.db2.gz XTXVYSOLQLDKRR-GFCCVEGCSA-N 1 0 377.819 2.712 20 0 GFADRO C[C@@H](C[NH3+])CNC(=O)C(=O)Nc1cc(Cl)ccc1SCC(F)(F)F ZINC000415514553 563780883 /nfs/dbraw/zinc/78/08/83/563780883.db2.gz ZVVYSVDFMPLPRJ-QMMMGPOBSA-N 1 0 383.823 2.644 20 0 GFADRO Cc1cc(Br)cc(NC(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)c1 ZINC000415514653 563780936 /nfs/dbraw/zinc/78/09/36/563780936.db2.gz GVSYNPMTMDWCKF-INIZCTEOSA-N 1 0 394.313 2.687 20 0 GFADRO C[C@H]1C[C@@H](NC(=O)Nc2ccnn2Cc2ccc(Br)cc2)CC[NH2+]1 ZINC000415521949 563781293 /nfs/dbraw/zinc/78/12/93/563781293.db2.gz CZFSRPXYQVMRLK-WFASDCNBSA-N 1 0 392.301 2.956 20 0 GFADRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)Nc1ccnn1Cc1ccccc1Br ZINC000415519386 563781638 /nfs/dbraw/zinc/78/16/38/563781638.db2.gz FZSZDOBIXKGXIP-QWHCGFSZSA-N 1 0 392.301 2.895 20 0 GFADRO C[C@H](CC[NH3+])NC(=O)Nc1nc2ccc(I)cc2s1 ZINC000415525802 563781962 /nfs/dbraw/zinc/78/19/62/563781962.db2.gz FJZFXBGTNBGTNS-SSDOTTSWSA-N 1 0 390.250 2.760 20 0 GFADRO CC(C)[C@H]([NH3+])CNC(=O)Nc1ccnn1Cc1cccc(Br)c1 ZINC000415529829 563783374 /nfs/dbraw/zinc/78/33/74/563783374.db2.gz URLVEDJVGOWKDB-CQSZACIVSA-N 1 0 380.290 2.799 20 0 GFADRO C[N@@H+]1CC[C@@H](CNC(=O)CSCC(=O)OC(C)(C)C)[C@@H]1c1cccs1 ZINC000365453538 563783580 /nfs/dbraw/zinc/78/35/80/563783580.db2.gz ITOYEUXLRGNFII-SUMWQHHRSA-N 1 0 384.567 2.932 20 0 GFADRO COC[C@@]1(CNC(=O)Nc2c(F)cc(F)cc2Br)CCC[NH2+]1 ZINC000415548595 563783647 /nfs/dbraw/zinc/78/36/47/563783647.db2.gz FJIMJIKNOOXGFC-AWEZNQCLSA-N 1 0 378.217 2.617 20 0 GFADRO C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)Nc1c(F)cc(F)cc1Br ZINC000415546296 563783962 /nfs/dbraw/zinc/78/39/62/563783962.db2.gz AMDVYUWHYHSDCD-HQJQHLMTSA-N 1 0 378.217 2.962 20 0 GFADRO COC(=O)c1c(Br)ccc(NC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1C ZINC000415591775 563785520 /nfs/dbraw/zinc/78/55/20/563785520.db2.gz BBMUMPRIQTTXDI-VXGBXAGGSA-N 1 0 396.285 2.617 20 0 GFADRO COc1cc(NC(=O)N[C@@H]2CC[NH2+]C2)c(Br)cc1Br ZINC000415586736 563785622 /nfs/dbraw/zinc/78/56/22/563785622.db2.gz NJQFJIYLIFKEFE-SSDOTTSWSA-N 1 0 393.079 2.704 20 0 GFADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccc(Br)c(Cl)c1F ZINC000365524558 563785735 /nfs/dbraw/zinc/78/57/35/563785735.db2.gz UHYGOWKCXCSBRL-ZJUUUORDSA-N 1 0 391.668 2.835 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)Nc2cccnc2-c2ccc(Cl)s2)C1 ZINC000415588530 563785817 /nfs/dbraw/zinc/78/58/17/563785817.db2.gz ZZYKSOXCPJXLPQ-GHMZBOCLSA-N 1 0 378.885 2.598 20 0 GFADRO COC(=O)c1c(C)c(NC(=O)N[C@@H]2CCC[C@H]([NH3+])C2)ccc1Br ZINC000415592464 563785880 /nfs/dbraw/zinc/78/58/80/563785880.db2.gz CGUZDLFCEBCJQS-WDEREUQCSA-N 1 0 384.274 2.936 20 0 GFADRO COC(=O)c1c(Br)ccc(NC(=O)NCC[C@@H]2CC[NH2+]C2)c1C ZINC000415597303 563786271 /nfs/dbraw/zinc/78/62/71/563786271.db2.gz JACQDTROTUVFBX-NSHDSACASA-N 1 0 384.274 2.665 20 0 GFADRO COc1ccc(NC(=O)N(C)CC(C)(C)C[NH3+])c(I)c1 ZINC000415596033 563786292 /nfs/dbraw/zinc/78/62/92/563786292.db2.gz LFJYVFBXCDJVEN-UHFFFAOYSA-N 1 0 391.253 2.748 20 0 GFADRO COc1ccc(NC(=O)N[C@](C)(C[NH3+])C2CC2)c(I)c1 ZINC000415601135 563786758 /nfs/dbraw/zinc/78/67/58/563786758.db2.gz VGKWYVQXVQHSMS-CQSZACIVSA-N 1 0 389.237 2.549 20 0 GFADRO CC(C)n1cc(Br)cc1C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000365584218 563787329 /nfs/dbraw/zinc/78/73/29/563787329.db2.gz KWGWJIKYUYZNTN-HNNXBMFYSA-N 1 0 397.361 2.730 20 0 GFADRO COC(=O)c1c(C)c(NC(=O)N2CC[C@H](C)[C@@H](C[NH3+])C2)ccc1Br ZINC000415607138 563787633 /nfs/dbraw/zinc/78/76/33/563787633.db2.gz ZWNJPMIEADXWAS-JQWIXIFHSA-N 1 0 398.301 2.993 20 0 GFADRO C[C@H](C(=O)N1CCN(CC[NH+]2CCCC2)CC1)c1cccc(Br)c1 ZINC000292501478 563789109 /nfs/dbraw/zinc/78/91/09/563789109.db2.gz ZHOOXICRAMCEJG-INIZCTEOSA-N 1 0 394.357 2.793 20 0 GFADRO CC1(C)C[NH2+]CC[C@@H]1NC(=O)Nc1nnc(-c2ccc(Cl)cc2F)s1 ZINC000415635922 563789407 /nfs/dbraw/zinc/78/94/07/563789407.db2.gz WBVKOSUPMNPQDA-LBPRGKRZSA-N 1 0 383.880 3.507 20 0 GFADRO CC(C)C[C@@H](C[NH3+])NC(=O)Nc1ccc(-c2ccc(Br)s2)nn1 ZINC000415636626 563789493 /nfs/dbraw/zinc/78/94/93/563789493.db2.gz GJHIWDDFSXJICB-JTQLQIEISA-N 1 0 398.330 3.463 20 0 GFADRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C(=O)Nc1cccc(Cl)c1SCC(F)F ZINC000415667372 563790843 /nfs/dbraw/zinc/79/08/43/563790843.db2.gz FSIMMNMMCSIXIT-ONGXEEELSA-N 1 0 391.871 2.892 20 0 GFADRO CC1(C)CCC[NH2+][C@@H]1CNC(=O)C(=O)Nc1nc(-c2cccs2)cs1 ZINC000415684190 563791246 /nfs/dbraw/zinc/79/12/46/563791246.db2.gz XFTZVZNBOPPKME-CYBMUJFWSA-N 1 0 378.523 2.705 20 0 GFADRO C[C@@H]1CN(C(=O)Nc2ccc3nccnc3c2Br)C[C@@]1(C)C[NH3+] ZINC000415701422 563792069 /nfs/dbraw/zinc/79/20/69/563792069.db2.gz FEJJYSUFYASMCV-QLJPJBMISA-N 1 0 378.274 2.841 20 0 GFADRO COC(=O)c1cc(NC(=O)N2CC[NH2+]C(C)(C)C2)c(C)cc1Br ZINC000415703720 563792077 /nfs/dbraw/zinc/79/20/77/563792077.db2.gz GHBSTDPODQZCOB-UHFFFAOYSA-N 1 0 384.274 2.760 20 0 GFADRO CS(=O)(=O)N[C@@H]1CCC[C@H]1C[NH2+]Cc1ccc(Sc2ccccn2)o1 ZINC000292698073 563793797 /nfs/dbraw/zinc/79/37/97/563793797.db2.gz NWKWOYDVXIVIJW-DZGCQCFKSA-N 1 0 381.523 2.633 20 0 GFADRO C[C@@H](CCCC[NH3+])NC(=O)C(=O)Nc1cc(Cl)ccc1Br ZINC000415743997 563793935 /nfs/dbraw/zinc/79/39/35/563793935.db2.gz OXUZCRZCYABSFU-VIFPVBQESA-N 1 0 376.682 2.675 20 0 GFADRO COC[C@]1(CNC(=O)Nc2cccc(Cl)c2OCC(F)F)CCC[NH2+]1 ZINC000415738163 563794024 /nfs/dbraw/zinc/79/40/24/563794024.db2.gz GUZOMBCQGGETJN-MRXNPFEDSA-N 1 0 377.819 2.874 20 0 GFADRO C[C@@H](CCC[NH3+])NC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1Br ZINC000415762469 563795083 /nfs/dbraw/zinc/79/50/83/563795083.db2.gz PDJNHTPPPKYNKL-QMMMGPOBSA-N 1 0 396.207 2.650 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)Nc1ccn(-c2ccc(Br)cc2)n1 ZINC000415758887 563795246 /nfs/dbraw/zinc/79/52/46/563795246.db2.gz PLCKWGOUNPATDS-DOMZBBRYSA-N 1 0 392.301 3.368 20 0 GFADRO COc1cc(I)ccc1NC(=O)N1C[C@H](C[NH3+])C[C@H]1C ZINC000415771849 563795611 /nfs/dbraw/zinc/79/56/11/563795611.db2.gz IHZQDBGQMSHPOO-ZJUUUORDSA-N 1 0 389.237 2.501 20 0 GFADRO CC(C)Sc1ccc(Cl)cc1NC(=O)C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000415770420 563795701 /nfs/dbraw/zinc/79/57/01/563795701.db2.gz QKBNSTAZSJFCLY-GXTWGEPZSA-N 1 0 381.929 2.989 20 0 GFADRO C[C@@H]([NH3+])[C@@H](C)NC(=O)C(=O)Nc1ccc(Br)c(Cl)c1Cl ZINC000415801910 563796901 /nfs/dbraw/zinc/79/69/01/563796901.db2.gz GWKYSNIGEMTGAU-PHDIDXHHSA-N 1 0 383.073 2.546 20 0 GFADRO Cc1nc2cc(Cl)c(NC(=O)C(=O)NCCC[C@@H]3CCC[NH2+]3)cc2s1 ZINC000415801352 563796919 /nfs/dbraw/zinc/79/69/19/563796919.db2.gz GJWSJLNUBKHXFW-NSHDSACASA-N 1 0 380.901 2.845 20 0 GFADRO O=C(c1cccc(F)c1Br)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000292956041 563797173 /nfs/dbraw/zinc/79/71/73/563797173.db2.gz HFDQUHUGNNALRK-UHFFFAOYSA-N 1 0 385.277 2.773 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H](CNC(=O)C(=O)Nc2ccc(Cl)cc2Br)C1 ZINC000415806703 563797477 /nfs/dbraw/zinc/79/74/77/563797477.db2.gz KKOUNTYAXFETOI-MWLCHTKSSA-N 1 0 388.693 2.675 20 0 GFADRO CN(Cc1ccccc1Br)C(=O)CN1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000292950668 563797613 /nfs/dbraw/zinc/79/76/13/563797613.db2.gz KOPIPIBQVYZZOD-LJQANCHMSA-N 1 0 394.357 2.825 20 0 GFADRO CC(C)c1cc(Br)ccc1NC(=O)C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000415827238 563798916 /nfs/dbraw/zinc/79/89/16/563798916.db2.gz CQBKKUIIPSDFFR-DGCLKSJQSA-N 1 0 382.302 2.755 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c(Br)c1 ZINC000415869977 563799495 /nfs/dbraw/zinc/79/94/95/563799495.db2.gz LISVTCIHWCLLLE-BFHYXJOUSA-N 1 0 394.313 2.509 20 0 GFADRO [NH3+]CC[C@@H](NC(=O)N1CCc2cc(Br)cc(F)c2C1)C(F)(F)F ZINC000416024855 563802349 /nfs/dbraw/zinc/80/23/49/563802349.db2.gz GLBZMYKFSQXVPO-GFCCVEGCSA-N 1 0 398.198 2.936 20 0 GFADRO Cc1cc(=O)n2nc(CN3CC[C@@H](Oc4ccc(Cl)cc4)C3)sc2n1 ZINC000293177483 563803452 /nfs/dbraw/zinc/80/34/52/563803452.db2.gz VUIMPEFCHFOSDE-CQSZACIVSA-N 1 0 376.869 2.766 20 0 GFADRO [NH3+]CC[C@H](NC(=O)N[C@@H]1C[C@H]1c1ccc(Br)cc1)C(F)(F)F ZINC000416051559 563804500 /nfs/dbraw/zinc/80/45/00/563804500.db2.gz TWGPJWYZZKWNKT-TUAOUCFPSA-N 1 0 380.208 2.884 20 0 GFADRO COc1ccc(C[NH2+]C[C@@H]2C[C@H](F)CN2c2cccnn2)cc1Br ZINC000366339695 563805498 /nfs/dbraw/zinc/80/54/98/563805498.db2.gz OSUYSXKITBKVLK-KBPBESRZSA-N 1 0 395.276 2.954 20 0 GFADRO Cc1cc(Br)cc(C)c1S(=O)(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000443458580 563806140 /nfs/dbraw/zinc/80/61/40/563806140.db2.gz WWXBNHBCUMAIJR-YIONKMFJSA-N 1 0 387.343 2.969 20 0 GFADRO CN(C(=O)c1nn(C)cc1Br)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000293298875 563807274 /nfs/dbraw/zinc/80/72/74/563807274.db2.gz SOHCNNIEWMJUMU-HNNXBMFYSA-N 1 0 391.313 2.919 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)c1cc(Br)ccc1F ZINC000366434394 563808250 /nfs/dbraw/zinc/80/82/50/563808250.db2.gz FRVWVUQOJCCEPB-WQVCFCJDSA-N 1 0 385.277 2.912 20 0 GFADRO C[N@H+]1C[C@H]2CN(C(=O)Cc3cc(Cl)c(Br)cc3F)C[C@H]2C1 ZINC000416224161 563810566 /nfs/dbraw/zinc/81/05/66/563810566.db2.gz QEVUQIVFAXTAAI-PHIMTYICSA-N 1 0 375.669 2.804 20 0 GFADRO Cc1c(C(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)cnn1-c1cccc(Br)c1 ZINC000293392602 563810793 /nfs/dbraw/zinc/81/07/93/563810793.db2.gz MAIMNFRPFHPVHN-CXAGYDPISA-N 1 0 389.297 2.767 20 0 GFADRO C[C@@H](NC(=O)N1CCO[C@H](C[NH+](C)C)C1)c1ccc(Br)s1 ZINC000443755099 563811781 /nfs/dbraw/zinc/81/17/81/563811781.db2.gz UNPWNWOQDNVWNK-GHMZBOCLSA-N 1 0 376.320 2.544 20 0 GFADRO CNC(=O)c1ccc(C[NH2+]CCCS(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000293421694 563812135 /nfs/dbraw/zinc/81/21/35/563812135.db2.gz NDLUBNFANIWASC-UHFFFAOYSA-N 1 0 380.897 2.653 20 0 GFADRO C[C@@H]1CN(C(=O)CCOc2ccc(Cl)cc2Cl)[C@@H](C)C[N@@H+]1CCO ZINC000416288039 563813991 /nfs/dbraw/zinc/81/39/91/563813991.db2.gz CVEOHLCCOLXYCB-OLZOCXBDSA-N 1 0 375.296 2.676 20 0 GFADRO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)CCOc1ccc(Cl)cc1Cl ZINC000416288041 563814091 /nfs/dbraw/zinc/81/40/91/563814091.db2.gz CVEOHLCCOLXYCB-QWHCGFSZSA-N 1 0 375.296 2.676 20 0 GFADRO COCC[C@@H](Cc1cccc(Br)c1)C(=O)NCC1([NH+](C)C)CC1 ZINC000416297544 563814257 /nfs/dbraw/zinc/81/42/57/563814257.db2.gz AKIIEYMYNWGSDU-HNNXBMFYSA-N 1 0 383.330 2.855 20 0 GFADRO C[NH+](C)C1(CNC(=O)[C@H]2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000416305111 563815552 /nfs/dbraw/zinc/81/55/52/563815552.db2.gz WFWFYNBEJAQQFN-OAHLLOKOSA-N 1 0 384.307 2.808 20 0 GFADRO CSCc1cnc(C[NH2+][C@@H]2CN(Cc3ccccc3)CC[C@H]2CO)s1 ZINC000293571129 563818976 /nfs/dbraw/zinc/81/89/76/563818976.db2.gz MYZYWQWBJMXCNY-FUHWJXTLSA-N 1 0 377.579 2.979 20 0 GFADRO COc1cc(OC)c(S(=O)(=O)NCC[NH+]2CCCCCC2)cc1Cl ZINC000416376250 563819758 /nfs/dbraw/zinc/81/97/58/563819758.db2.gz VOZPKPARGNUVOH-UHFFFAOYSA-N 1 0 376.906 2.512 20 0 GFADRO COCC1(C[NH2+][C@H](C)c2ccc(S(=O)(=O)C(F)F)cc2)CCOCC1 ZINC000293662974 563820806 /nfs/dbraw/zinc/82/08/06/563820806.db2.gz MBRZFMOIOJMHPW-CYBMUJFWSA-N 1 0 377.453 2.777 20 0 GFADRO C[C@@H](O)C[N@@H+]1CCN(C(=O)N[C@@H](C)c2ccc(Br)s2)C[C@@H]1C ZINC000444094517 563821559 /nfs/dbraw/zinc/82/15/59/563821559.db2.gz AWFMQJVESSVCFR-TUAOUCFPSA-N 1 0 390.347 2.668 20 0 GFADRO CC[C@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1cccc(Cl)c1C(=O)OC ZINC000416391611 563822451 /nfs/dbraw/zinc/82/24/51/563822451.db2.gz QUKBNVJCABSNDL-ZDUSSCGKSA-N 1 0 388.917 2.669 20 0 GFADRO COC(=O)c1c(Cl)cccc1S(=O)(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000416400585 563823229 /nfs/dbraw/zinc/82/32/29/563823229.db2.gz RPVZTQPMVKWPGM-CQSZACIVSA-N 1 0 390.933 2.771 20 0 GFADRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)c3cc(Br)c(F)cc3F)[C@H]2C1 ZINC000293796977 563824180 /nfs/dbraw/zinc/82/41/80/563824180.db2.gz DBUPZMBXPKCOLY-LSDHHAIUSA-N 1 0 389.240 2.663 20 0 GFADRO CNS(=O)(=O)c1cccc([C@H](C)[NH2+]Cc2ccnc(Br)c2)c1 ZINC000293823671 563824847 /nfs/dbraw/zinc/82/48/47/563824847.db2.gz PCYYJOGIMSTRBQ-NSHDSACASA-N 1 0 384.299 2.603 20 0 GFADRO O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)c1c[nH]c2cccc(Br)c21 ZINC000367020438 563827647 /nfs/dbraw/zinc/82/76/47/563827647.db2.gz NKQBUYHLMOVDPD-ZDUSSCGKSA-N 1 0 392.297 2.914 20 0 GFADRO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)N1CCC=C(Br)C1 ZINC000367011529 563827654 /nfs/dbraw/zinc/82/76/54/563827654.db2.gz SHPYFZCSVCFOQJ-RHSMWYFYSA-N 1 0 393.329 2.986 20 0 GFADRO COc1cc(OC)c(S(=O)(=O)NC2CCC(C[NH+](C)C)CC2)cc1Cl ZINC000416444774 563829617 /nfs/dbraw/zinc/82/96/17/563829617.db2.gz JGZYVFSOOGMAIK-UHFFFAOYSA-N 1 0 390.933 2.756 20 0 GFADRO COC[C@H]([NH2+]C[C@@](C)(O)c1ccc(Br)cc1F)[C@@H]1CCCO1 ZINC000294013018 563829774 /nfs/dbraw/zinc/82/97/74/563829774.db2.gz GVADJMDZWOLTIY-HRCADAONSA-N 1 0 376.266 2.579 20 0 GFADRO COCCCn1nccc1C[NH+]1CCC(Cn2cc(Br)cn2)CC1 ZINC000367127636 563831902 /nfs/dbraw/zinc/83/19/02/563831902.db2.gz UMVRMMCDQSLXTD-UHFFFAOYSA-N 1 0 396.333 2.791 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2cc(Cl)c(OC)cc2OC)C[C@@H]1C ZINC000416459901 563832241 /nfs/dbraw/zinc/83/22/41/563832241.db2.gz KYBVJXKQSHFBQL-STQMWFEESA-N 1 0 390.933 2.851 20 0 GFADRO COc1nc(C)c(Br)cc1C(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000294186811 563833311 /nfs/dbraw/zinc/83/33/11/563833311.db2.gz PFZXCDZKXLNYMU-QGZVFWFLSA-N 1 0 382.302 2.719 20 0 GFADRO C[C@@](O)(C[N@@H+]1CC[C@]2(CNC(=O)C2)C1)c1ccc(Br)cc1Cl ZINC000294227623 563835030 /nfs/dbraw/zinc/83/50/30/563835030.db2.gz SQCVEYZYDKJKOC-CVEARBPZSA-N 1 0 387.705 2.522 20 0 GFADRO CCN1CCN(C(=O)[C@H](C)[N@H+](C)Cc2ccc(Br)cc2C)CC1 ZINC000444707483 563835526 /nfs/dbraw/zinc/83/55/26/563835526.db2.gz YBOLHAVBXINCKN-HNNXBMFYSA-N 1 0 382.346 2.742 20 0 GFADRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)c3ccccc3I)C2)C1 ZINC000294257500 563836225 /nfs/dbraw/zinc/83/62/25/563836225.db2.gz SWLGZBNBRNKQOS-MRXNPFEDSA-N 1 0 384.261 2.849 20 0 GFADRO Cc1nnc(N2CCC([NH2+]C[C@H](O)c3cccc(Br)c3)CC2)s1 ZINC000367244245 563837549 /nfs/dbraw/zinc/83/75/49/563837549.db2.gz PJYNMCVDILZFBF-HNNXBMFYSA-N 1 0 397.342 2.901 20 0 GFADRO COC(=O)CC[C@@H]([NH3+])C(=O)N1CCc2[nH]c3c(cc(Cl)cc3Cl)c2C1 ZINC000367307540 563839725 /nfs/dbraw/zinc/83/97/25/563839725.db2.gz IZYGWZIYYCMTSJ-CYBMUJFWSA-N 1 0 384.263 2.640 20 0 GFADRO O=S(=O)(Cc1cccc(C(F)(F)F)c1)NCC1CC[NH+](C2CC2)CC1 ZINC000445078025 563843389 /nfs/dbraw/zinc/84/33/89/563843389.db2.gz OYZRIAZZMYFBLN-UHFFFAOYSA-N 1 0 376.444 2.999 20 0 GFADRO O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cc[nH]c(=O)c1Br ZINC000445247638 563846479 /nfs/dbraw/zinc/84/64/79/563846479.db2.gz HVTLTKUUBPLBSR-CYBMUJFWSA-N 1 0 376.254 2.554 20 0 GFADRO Cc1nc2sccn2c(=O)c1CC[NH+]1CCC(n2cc(Cl)cn2)CC1 ZINC000367559719 563848732 /nfs/dbraw/zinc/84/87/32/563848732.db2.gz OYYGHWRAQCETJY-UHFFFAOYSA-N 1 0 377.901 2.794 20 0 GFADRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)NCCCCn1cc(Br)cn1 ZINC000367581162 563849112 /nfs/dbraw/zinc/84/91/12/563849112.db2.gz SGDUDOHZMHSZLR-GDBMZVCRSA-N 1 0 398.349 2.694 20 0 GFADRO COc1ccc(C[NH2+]C[C@H]2CCN(S(=O)(=O)c3cccs3)C2)cc1F ZINC000367587982 563850055 /nfs/dbraw/zinc/85/00/55/563850055.db2.gz UXAQLKGEYXTFPS-CQSZACIVSA-N 1 0 384.498 2.696 20 0 GFADRO CN1CC[NH+](C[C@H]2CCCN(C[C@H](O)c3ccc(Cl)cc3Cl)C2)CC1 ZINC000367767402 563855051 /nfs/dbraw/zinc/85/50/51/563855051.db2.gz LMARCDUPVZVADO-BEFAXECRSA-N 1 0 386.367 2.986 20 0 GFADRO C[C@H]1c2cc(Cl)cc(Cl)c2CCN1C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000445899295 563855783 /nfs/dbraw/zinc/85/57/83/563855783.db2.gz VCDBJOJOLYSALN-GXTWGEPZSA-N 1 0 385.339 2.868 20 0 GFADRO O=S(=O)(N[C@H]1CC12CC[NH2+]CC2)c1ccc(Br)c(Cl)c1 ZINC000367833390 563857104 /nfs/dbraw/zinc/85/71/04/563857104.db2.gz RPFUPGOSSZJUSD-LBPRGKRZSA-N 1 0 379.707 2.523 20 0 GFADRO C[NH+]1CCC(Oc2ccc(NS(=O)(=O)CCCC(F)(F)F)cn2)CC1 ZINC000367852987 563857410 /nfs/dbraw/zinc/85/74/10/563857410.db2.gz HJSWOALSQXGKOI-UHFFFAOYSA-N 1 0 381.420 2.639 20 0 GFADRO COC[C@H]([NH2+]C1CCN(S(=O)(=O)C2CC2)CC1)c1cccc(Cl)c1F ZINC000367914115 563859445 /nfs/dbraw/zinc/85/94/45/563859445.db2.gz ZVNZSYOZJMRDNN-INIZCTEOSA-N 1 0 390.908 2.713 20 0 GFADRO CN(C(=O)c1cc[nH]c(=O)c1Br)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000446174802 563860296 /nfs/dbraw/zinc/86/02/96/563860296.db2.gz JXHUMKAHRIUINW-AWEZNQCLSA-N 1 0 390.281 2.896 20 0 GFADRO COc1c(Cl)cc(NC(=O)N2C[C@@H](C)[N@H+](CCO)C[C@@H]2C)cc1Cl ZINC000416780913 563861458 /nfs/dbraw/zinc/86/14/58/563861458.db2.gz DCLPWDQGDQYTBY-MNOVXSKESA-N 1 0 376.284 2.921 20 0 GFADRO COC(=O)c1cc(C[NH+]2CCC(Cn3cc(Br)cn3)CC2)cn1C ZINC000368014229 563861588 /nfs/dbraw/zinc/86/15/88/563861588.db2.gz FJKBVQVDQKEIPB-UHFFFAOYSA-N 1 0 395.301 2.683 20 0 GFADRO C[C@@H](NC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccccc1Cl ZINC000416827997 563861867 /nfs/dbraw/zinc/86/18/67/563861867.db2.gz LQEYKNKSLUIGLU-RISCZKNCSA-N 1 0 378.826 2.536 20 0 GFADRO COc1ccc(Br)c(CC(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000368023812 563861863 /nfs/dbraw/zinc/86/18/63/563861863.db2.gz UYXJSLFPEAABOF-DYVFJYSZSA-N 1 0 381.314 2.991 20 0 GFADRO Cc1cc([C@H](C)[NH2+][C@@H]2CCN(CCN3CCOCC3)C2)ccc1Br ZINC000368017590 563862115 /nfs/dbraw/zinc/86/21/15/563862115.db2.gz FPTMVLMUJHGFPA-FUHWJXTLSA-N 1 0 396.373 2.815 20 0 GFADRO CC(=O)Nc1ccc(Br)cc1NC(=O)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000368095523 563863747 /nfs/dbraw/zinc/86/37/47/563863747.db2.gz QPWPRUHENLHVJL-UONOGXRCSA-N 1 0 380.286 2.982 20 0 GFADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1CC[C@H]1c1cccc(Br)c1 ZINC000368173548 563865788 /nfs/dbraw/zinc/86/57/88/563865788.db2.gz LTKYYPCDZSBYHD-PBHICJAKSA-N 1 0 395.345 2.541 20 0 GFADRO Cc1cc(F)c(Br)cc1NC(=O)N1C[C@@H](C)[N@@H+](CCO)C[C@H]1C ZINC000417038907 563865882 /nfs/dbraw/zinc/86/58/82/563865882.db2.gz JTIMCBYPGNEPBQ-VXGBXAGGSA-N 1 0 388.281 2.815 20 0 GFADRO COC(=O)[C@@H]1CN(C(=O)Nc2cc(C)c(Br)c(C)c2)CC[N@H+](C)C1 ZINC000417067353 563867080 /nfs/dbraw/zinc/86/70/80/563867080.db2.gz SCKQYCGGYOOZCH-ZDUSSCGKSA-N 1 0 398.301 2.634 20 0 GFADRO CS(=O)(=O)c1cccc(Cl)c1CNCc1cccc(-n2cncn2)c1 ZINC000368282697 563867925 /nfs/dbraw/zinc/86/79/25/563867925.db2.gz GKVNUNHQZMUPHH-UHFFFAOYSA-N 1 0 376.869 2.614 20 0 GFADRO O=S(=O)(N[C@@H]1CC12CC[NH2+]CC2)c1ccc(Cl)c(Br)c1 ZINC000368319917 563868358 /nfs/dbraw/zinc/86/83/58/563868358.db2.gz ZKZWGPPHLBTTHX-GFCCVEGCSA-N 1 0 379.707 2.523 20 0 GFADRO CCOc1c(Br)cc(C(=O)N[C@H]2CC23CC[NH2+]CC3)cc1OC ZINC000368383310 563869555 /nfs/dbraw/zinc/86/95/55/563869555.db2.gz DGIUQCUMQKYLQZ-AWEZNQCLSA-N 1 0 383.286 2.728 20 0 GFADRO [NH3+]C[C@H](NC(=O)NCC1(c2cccc(Br)c2)CCOCC1)C1CC1 ZINC000417173108 563870141 /nfs/dbraw/zinc/87/01/41/563870141.db2.gz GUIJBQWVEUBHLN-INIZCTEOSA-N 1 0 396.329 2.534 20 0 GFADRO C[NH+](C)Cc1ccsc1C(=O)N[C@@H]1CC(=O)N(c2ccccc2Cl)C1 ZINC000446928860 563870507 /nfs/dbraw/zinc/87/05/07/563870507.db2.gz NJPBLXNBOALWBW-CYBMUJFWSA-N 1 0 377.897 2.998 20 0 GFADRO C[C@H](Cc1ccc(Br)cc1)C(=O)N1CCC[N@H+](CC(C)(C)O)CC1 ZINC000368419923 563870649 /nfs/dbraw/zinc/87/06/49/563870649.db2.gz PMGYJNQKJZDTIB-OAHLLOKOSA-N 1 0 397.357 2.933 20 0 GFADRO Brc1cc(C[NH2+][C@@H]2CCO[C@@]3(CCOC3)C2)cc2c1OCCO2 ZINC000368464916 563871735 /nfs/dbraw/zinc/87/17/35/563871735.db2.gz DDBQBQNGSJEANV-DYVFJYSZSA-N 1 0 384.270 2.648 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)N[C@@H](C)c2cc3c(cc2Br)OCCO3)C1 ZINC000417190196 563871985 /nfs/dbraw/zinc/87/19/85/563871985.db2.gz ZQYQOQYQEDCKQE-GRYCIOLGSA-N 1 0 398.301 2.660 20 0 GFADRO Cc1cc(Br)cn2c(C[NH2+][C@@H]3CCC(=O)N[C@H]3C3CC3)cnc12 ZINC000368500840 563872135 /nfs/dbraw/zinc/87/21/35/563872135.db2.gz YPHAMYDBBDTWFN-ZBFHGGJFSA-N 1 0 377.286 2.552 20 0 GFADRO CO[C@@H]1CCN(C(=O)N[C@H](C)CCc2ccc(Br)cc2)[C@H](C[NH3+])C1 ZINC000417237056 563874912 /nfs/dbraw/zinc/87/49/12/563874912.db2.gz VRCKNRQLYCHRKB-XOKHGSTOSA-N 1 0 398.345 2.918 20 0 GFADRO CC[N@@H+](Cc1cc(Br)ccc1F)C[C@@H](O)CO[C@@H](C)COC ZINC000447158844 563875657 /nfs/dbraw/zinc/87/56/57/563875657.db2.gz RIYIONYWBMGTGF-SWLSCSKDSA-N 1 0 378.282 2.823 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)NC[C@@H]2CCN(c3cccc(Br)c3)C2)CC[NH2+]1 ZINC000417263170 563875759 /nfs/dbraw/zinc/87/57/59/563875759.db2.gz PHEXEIACANVKJH-IJEWVQPXSA-N 1 0 395.345 2.715 20 0 GFADRO CCC[NH2+]CCNC(=O)NC[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000417262656 563875765 /nfs/dbraw/zinc/87/57/65/563875765.db2.gz OAYFNDNZUXBXDS-CQSZACIVSA-N 1 0 383.334 2.574 20 0 GFADRO C[NH2+][C@H]1CCCN(C(=O)NC[C@H]2CCN(c3cccc(Br)c3)C2)C1 ZINC000417265080 563875805 /nfs/dbraw/zinc/87/58/05/563875805.db2.gz UAZBAUYMPSZYRS-ZBFHGGJFSA-N 1 0 395.345 2.669 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)c3ccn(-c4cccc(Br)c4)n3)C[C@@H]21 ZINC000368615987 563875849 /nfs/dbraw/zinc/87/58/49/563875849.db2.gz VQXWOFNBEDWXSK-UHOFOFEASA-N 1 0 389.297 2.834 20 0 GFADRO [NH3+][C@H](CNS(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C1CC1 ZINC000447255662 563878342 /nfs/dbraw/zinc/87/83/42/563878342.db2.gz KOEFEWGEEYRCAM-LLVKDONJSA-N 1 0 376.322 2.740 20 0 GFADRO C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)NCc1cc(Br)ccc1OC(F)F ZINC000417398014 563879135 /nfs/dbraw/zinc/87/91/35/563879135.db2.gz ALQKLBCJAPQTPN-VHSXEESVSA-N 1 0 392.244 2.942 20 0 GFADRO O=C(NCc1cc(Br)ccc1OC(F)F)NC1CC[NH2+]CC1 ZINC000417398441 563879345 /nfs/dbraw/zinc/87/93/45/563879345.db2.gz BBIODGQGUWCVMM-UHFFFAOYSA-N 1 0 378.217 2.602 20 0 GFADRO [NH3+][C@H](CNC(=O)NCc1cc(Br)ccc1OC(F)F)C1CC1 ZINC000417405619 563879355 /nfs/dbraw/zinc/87/93/55/563879355.db2.gz IWXMXIPDVSUNRZ-LLVKDONJSA-N 1 0 378.217 2.587 20 0 GFADRO C[C@H](CCc1ccc(I)cc1)NC(=O)NC[C@@H](C)C[NH3+] ZINC000418116498 563899537 /nfs/dbraw/zinc/89/95/37/563899537.db2.gz QUWKVAKUNZDJTB-NWDGAFQWSA-N 1 0 389.281 2.506 20 0 GFADRO COCC[C@@]1([NH2+]CC(=O)Nc2ccc(OC(F)F)c(Cl)c2)CCOC1 ZINC000447388956 563880903 /nfs/dbraw/zinc/88/09/03/563880903.db2.gz XRTDLVBANKVXBR-MRXNPFEDSA-N 1 0 378.803 2.665 20 0 GFADRO CO[C@H](C[NH3+])CC(=O)Nc1ccc(=O)n(Cc2ccc(Cl)c(Cl)c2)c1 ZINC000447441527 563881812 /nfs/dbraw/zinc/88/18/12/563881812.db2.gz QDOLUAGXDGCNJW-ZDUSSCGKSA-N 1 0 384.263 2.506 20 0 GFADRO CCOC1CC(O)(C[NH2+][C@@H](C)c2ccccc2I)C1 ZINC000447554847 563883097 /nfs/dbraw/zinc/88/30/97/563883097.db2.gz ZQOUADWTDRVMRD-BZUNDVKYSA-N 1 0 375.250 2.872 20 0 GFADRO C[C@H]([NH2+]CC1(N2CCOCC2)CC1)c1ccc(I)cc1 ZINC000447602911 563883474 /nfs/dbraw/zinc/88/34/74/563883474.db2.gz WEJPBZIGTDHMLR-ZDUSSCGKSA-N 1 0 386.277 2.807 20 0 GFADRO Cc1c([C@@H](C)NCCOCC[NH+](C)C)nnn1-c1cccc(Br)c1 ZINC000447597473 563883589 /nfs/dbraw/zinc/88/35/89/563883589.db2.gz GEYCQNKTVRQQFD-CYBMUJFWSA-N 1 0 396.333 2.567 20 0 GFADRO C[C@@H](CO)[N@@H+]1CCCN(CC(=O)Nc2cc(Cl)c(Cl)cc2Cl)CC1 ZINC000368975105 563883656 /nfs/dbraw/zinc/88/36/56/563883656.db2.gz SVRNORHSVSWVRA-NSHDSACASA-N 1 0 394.730 2.974 20 0 GFADRO O=C(NCC1(c2ccccc2Br)CC1)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000417740130 563888001 /nfs/dbraw/zinc/88/80/01/563888001.db2.gz ZCIZAIXFRBVKJM-ZIAGYGMSSA-N 1 0 378.314 2.732 20 0 GFADRO [NH3+]CC1CCN(C(=O)NCCOc2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000417736444 563888127 /nfs/dbraw/zinc/88/81/27/563888127.db2.gz MPTMWKBRHKOGEC-UHFFFAOYSA-N 1 0 380.798 2.513 20 0 GFADRO C[C@H](CNC(=O)NCC1(C)CC[NH2+]CC1)Oc1cccc(Br)c1 ZINC000417786380 563889169 /nfs/dbraw/zinc/88/91/69/563889169.db2.gz DQDHBFIFEMUYGZ-CYBMUJFWSA-N 1 0 384.318 2.905 20 0 GFADRO C[C@H](CNC(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1)Oc1ccccc1Br ZINC000417818494 563889717 /nfs/dbraw/zinc/88/97/17/563889717.db2.gz FNKKBKTZINWHHD-HZSPNIEDSA-N 1 0 384.318 2.904 20 0 GFADRO C[C@H](CNC(=O)NCCC1=CC[NH2+]CC1)Oc1cccc(Br)c1 ZINC000417795995 563889737 /nfs/dbraw/zinc/88/97/37/563889737.db2.gz PBYBOGCYTHDDEW-CYBMUJFWSA-N 1 0 382.302 2.825 20 0 GFADRO C[NH2+]C[C@@H]1CCCN(C(=O)NC[C@@H](C)Oc2cccc(Br)c2)C1 ZINC000417794384 563889875 /nfs/dbraw/zinc/88/98/75/563889875.db2.gz MTZZBYBWSATCHK-KGLIPLIRSA-N 1 0 384.318 2.857 20 0 GFADRO C[C@H](Cc1cc(Br)ccc1F)NC(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000417919551 563891570 /nfs/dbraw/zinc/89/15/70/563891570.db2.gz CTOSAPCPUVNNAW-PXAZEXFGSA-N 1 0 384.293 2.914 20 0 GFADRO C[N@@H+]1CCCC(C)(C)[C@H]1CNS(=O)(=O)c1ccc(OC(F)F)c(F)c1 ZINC000447944739 563891914 /nfs/dbraw/zinc/89/19/14/563891914.db2.gz SPLGVAXCGZPZTL-CQSZACIVSA-N 1 0 380.432 2.826 20 0 GFADRO C[C@@H](CC[NH+](C)C)NC(=O)[C@H]1CCCN(c2ccc(Br)cn2)C1 ZINC000369310048 563891962 /nfs/dbraw/zinc/89/19/62/563891962.db2.gz KVFRBQAURZGFEX-KBPBESRZSA-N 1 0 383.334 2.517 20 0 GFADRO NC(=O)[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(F)cc2I)C1 ZINC000417938097 563892285 /nfs/dbraw/zinc/89/22/85/563892285.db2.gz IDZPIBKCMSVJGS-BXKDBHETSA-N 1 0 376.213 2.564 20 0 GFADRO COc1cc(C[NH2+][C@@H](CO)[C@H]2CCCO2)cc(Br)c1OC(F)F ZINC000447991048 563892403 /nfs/dbraw/zinc/89/24/03/563892403.db2.gz TUMFHTYQVWANIS-NWDGAFQWSA-N 1 0 396.228 2.689 20 0 GFADRO C[C@@H](Cc1cc(Br)ccc1F)NC(=O)N[C@@H](CC[NH3+])C(F)F ZINC000417951299 563892451 /nfs/dbraw/zinc/89/24/51/563892451.db2.gz YQQFFANXVZEAGU-UFBFGSQYSA-N 1 0 382.224 2.801 20 0 GFADRO O=C(NCCOc1ccc(Br)cc1C(F)(F)F)N[C@@H]1CC[NH2+]C1 ZINC000417956525 563892699 /nfs/dbraw/zinc/89/26/99/563892699.db2.gz SLEWVOJKWCWPKN-SNVBAGLBSA-N 1 0 396.207 2.508 20 0 GFADRO O=C(NCCCOc1ncc(C(F)(F)F)cc1Cl)N[C@H]1CCC[NH2+]C1 ZINC000417959151 563892923 /nfs/dbraw/zinc/89/29/23/563892923.db2.gz LMISLTNPYFYXSA-NSHDSACASA-N 1 0 380.798 2.574 20 0 GFADRO C[C@@H](C[NH3+])CNC(=O)NCCOc1ccc(Br)cc1C(F)(F)F ZINC000417960392 563893049 /nfs/dbraw/zinc/89/30/49/563893049.db2.gz XLVCLOOWAKWBBO-VIFPVBQESA-N 1 0 398.223 2.741 20 0 GFADRO O=C(NCCCOc1ncc(C(F)(F)F)cc1Cl)NC1CC[NH2+]CC1 ZINC000417961593 563893172 /nfs/dbraw/zinc/89/31/72/563893172.db2.gz NSMUEBPXZORGJV-UHFFFAOYSA-N 1 0 380.798 2.574 20 0 GFADRO CCn1cc(Br)cc1C(=O)N[C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@@H]1C ZINC000369358589 563893615 /nfs/dbraw/zinc/89/36/15/563893615.db2.gz MMECBLJEGGXRDW-NUEKZKHPSA-N 1 0 398.345 2.890 20 0 GFADRO COc1cc(Br)ccc1CCCNC(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000417996226 563894078 /nfs/dbraw/zinc/89/40/78/563894078.db2.gz DQUSEZSBIDRKKM-SWLSCSKDSA-N 1 0 384.318 2.769 20 0 GFADRO [NH3+]CC[C@H](NC(=O)N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1)C(F)F ZINC000418001937 563894646 /nfs/dbraw/zinc/89/46/46/563894646.db2.gz LQKGWOPVLYVRAN-RNCFNFMXSA-N 1 0 381.254 2.854 20 0 GFADRO C[NH2+]CCNC(=O)NCCOc1c(Cl)cc(Br)cc1Cl ZINC000418002852 563894682 /nfs/dbraw/zinc/89/46/82/563894682.db2.gz MGRXSCCIEJYDQF-UHFFFAOYSA-N 1 0 385.089 2.653 20 0 GFADRO CCCOC[C@H](Cc1cccc(Br)c1)NC(=O)N1CC[C@H]([NH2+]C)C1 ZINC000418026434 563896009 /nfs/dbraw/zinc/89/60/09/563896009.db2.gz HEXMOVGQPUMFFI-IRXDYDNUSA-N 1 0 398.345 2.790 20 0 GFADRO CCCOC[C@@H](Cc1cccc(Br)c1)NC(=O)N[C@@H](C[NH3+])C1CC1 ZINC000418026462 563896147 /nfs/dbraw/zinc/89/61/47/563896147.db2.gz HGWGTBJWKYSJLH-SJORKVTESA-N 1 0 398.345 2.823 20 0 GFADRO [NH3+]C[C@@H](NC(=O)NCc1cc(Br)ccc1Br)C1CC1 ZINC000418038964 563896552 /nfs/dbraw/zinc/89/65/52/563896552.db2.gz HOANJTCCQIYCIA-GFCCVEGCSA-N 1 0 391.107 2.748 20 0 GFADRO C[C@@H](CC[NH3+])NC(=O)NCc1cc(Br)ccc1Br ZINC000418046307 563896784 /nfs/dbraw/zinc/89/67/84/563896784.db2.gz OWOJHESPLXXOLD-QMMMGPOBSA-N 1 0 379.096 2.748 20 0 GFADRO CCn1c(CNC(=O)N2C[C@@H](C[NH3+])C[C@@H]2C)nc2cc(Br)ccc21 ZINC000418064120 563897293 /nfs/dbraw/zinc/89/72/93/563897293.db2.gz IYFKYPVICKWJDJ-NWDGAFQWSA-N 1 0 394.317 2.697 20 0 GFADRO CC(C)(CNC(=O)NCCNc1cc[nH+]cc1)c1ccccc1Br ZINC000448465633 563897319 /nfs/dbraw/zinc/89/73/19/563897319.db2.gz JBFQIXQFQSZUHH-UHFFFAOYSA-N 1 0 391.313 2.955 20 0 GFADRO Cc1cccc(CNC(=O)N2C[C@H](C[NH3+])C3(C2)CCOCC3)c1Br ZINC000418062418 563897507 /nfs/dbraw/zinc/89/75/07/563897507.db2.gz YZTGWUVSNRIMMQ-HNNXBMFYSA-N 1 0 396.329 2.654 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)NCc2cnn(-c3ccc(Br)cc3)c2)CC[NH2+]1 ZINC000418085882 563898172 /nfs/dbraw/zinc/89/81/72/563898172.db2.gz BJJMHHSEWNVISA-DOMZBBRYSA-N 1 0 392.301 2.575 20 0 GFADRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)NCc1cnn(-c2ccc(Br)cc2)c1 ZINC000418087050 563898189 /nfs/dbraw/zinc/89/81/89/563898189.db2.gz FWZSPEJJMFTCKY-OLZOCXBDSA-N 1 0 392.301 2.514 20 0 GFADRO O=C(NCCC[NH2+]C1CC1)N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000418083887 563898200 /nfs/dbraw/zinc/89/82/00/563898200.db2.gz UCHBHNHBKNQAGB-CQSZACIVSA-N 1 0 385.295 2.540 20 0 GFADRO [NH3+]C[C@@H](NC(=O)N[C@H]1CCN(c2cccc(Br)c2)C1)C1CCCC1 ZINC000418090032 563898602 /nfs/dbraw/zinc/89/86/02/563898602.db2.gz CDRVNJDVLVPNCY-DOTOQJQBSA-N 1 0 395.345 2.845 20 0 GFADRO Cc1cc(C)c(C(=O)N2CCN(CC[NH+]3CCCC3)CC2)cc1Br ZINC000448607246 563898732 /nfs/dbraw/zinc/89/87/32/563898732.db2.gz NZDVNJWULPHDIX-UHFFFAOYSA-N 1 0 394.357 2.920 20 0 GFADRO O=C(N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000418106293 563898955 /nfs/dbraw/zinc/89/89/55/563898955.db2.gz CASLDONDQVVLON-NOXHYTERSA-N 1 0 382.277 2.838 20 0 GFADRO CC(C)(C[NH2+]Cc1cccc(I)c1)C1(O)CCOCC1 ZINC000418134184 563899997 /nfs/dbraw/zinc/89/99/97/563899997.db2.gz OUIXXIJQPAXTCM-UHFFFAOYSA-N 1 0 389.277 2.949 20 0 GFADRO CC[NH2+]CC1CCN(C(=O)NCc2ccc(Br)cc2OC)CC1 ZINC000418139920 563900030 /nfs/dbraw/zinc/90/00/30/563900030.db2.gz KILZMSMYLFUJHN-UHFFFAOYSA-N 1 0 384.318 2.989 20 0 GFADRO COc1cc(Br)ccc1CNC(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000418135084 563900051 /nfs/dbraw/zinc/90/00/51/563900051.db2.gz HJHJEMOYLRHBLJ-CQSZACIVSA-N 1 0 396.329 2.989 20 0 GFADRO C[C@H]1CCC[N@H+](CCNC(=O)c2ccc(I)cc2F)C1 ZINC000448710151 563900171 /nfs/dbraw/zinc/90/01/71/563900171.db2.gz UDHCWWNTDHZFJM-NSHDSACASA-N 1 0 390.240 2.892 20 0 GFADRO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)N[C@H]1COc2cc(F)c(Br)cc21 ZINC000418156227 563900343 /nfs/dbraw/zinc/90/03/43/563900343.db2.gz LKUCDBMMTKAZDZ-FZZIBODNSA-N 1 0 386.265 2.838 20 0 GFADRO CN(CCC(F)(F)F)[C@@H](CNC(=O)NCCC[NH3+])c1ccc(Cl)cc1 ZINC000418168464 563900350 /nfs/dbraw/zinc/90/03/50/563900350.db2.gz MARGMIIILHFELL-AWEZNQCLSA-N 1 0 380.842 2.913 20 0 GFADRO CN(CC[NH3+])C(=O)NC[C@@H](c1ccc(Cl)cc1)N(C)CCC(F)(F)F ZINC000418179105 563900755 /nfs/dbraw/zinc/90/07/55/563900755.db2.gz ZDGGKVHQUWIFCC-AWEZNQCLSA-N 1 0 380.842 2.865 20 0 GFADRO CN(CC[NH3+])C(=O)NC[C@H](c1ccc(Cl)cc1)N(C)CCC(F)(F)F ZINC000418179107 563900760 /nfs/dbraw/zinc/90/07/60/563900760.db2.gz ZDGGKVHQUWIFCC-CQSZACIVSA-N 1 0 380.842 2.865 20 0 GFADRO C[NH+](C)C[C@H]1CCCN1C(=O)c1ccc(I)cc1F ZINC000448882539 563902843 /nfs/dbraw/zinc/90/28/43/563902843.db2.gz OEYJSODTMMWRCL-LLVKDONJSA-N 1 0 376.213 2.597 20 0 GFADRO CN(CC[NH+]1CCCC1)C(=O)c1ccccc1-n1cc(Br)cn1 ZINC000448904549 563903029 /nfs/dbraw/zinc/90/30/29/563903029.db2.gz RJPLQAJKNIPMKF-UHFFFAOYSA-N 1 0 377.286 2.803 20 0 GFADRO O=S(=O)(NCC[NH2+]Cc1ccnn1C1CCCC1)c1cccc(Cl)c1 ZINC000449097495 563906820 /nfs/dbraw/zinc/90/68/20/563906820.db2.gz DSSFSGAWDZQIMA-UHFFFAOYSA-N 1 0 382.917 2.720 20 0 GFADRO Cn1cc(N2CCC[C@@H]([NH2+]Cc3ccc(I)cc3)C2)cn1 ZINC000449179424 563907868 /nfs/dbraw/zinc/90/78/68/563907868.db2.gz ZNJKYXRNYMAUIX-OAHLLOKOSA-N 1 0 396.276 2.783 20 0 GFADRO COc1ccc(CC[NH2+][C@@H](C)c2ccc(SC)cc2)cc1S(N)(=O)=O ZINC000537962876 564178308 /nfs/dbraw/zinc/17/83/08/564178308.db2.gz OOSGROPQTDWXAX-ZDUSSCGKSA-N 1 0 380.535 2.958 20 0 GFADRO CC(C)Nc1ccc(Br)cc1NC(=O)c1cn(CCCC[NH3+])nn1 ZINC000563199980 564179408 /nfs/dbraw/zinc/17/94/08/564179408.db2.gz FOVYQXNBXMQTNH-UHFFFAOYSA-N 1 0 395.305 2.852 20 0 GFADRO Ic1ccc2c(c1)[C@H]([NH2+]CCn1cccn1)CCCO2 ZINC000537987500 564179422 /nfs/dbraw/zinc/17/94/22/564179422.db2.gz QCSVSEJZOJIKPB-CQSZACIVSA-N 1 0 383.233 2.991 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]CCc1cc(C)no1 ZINC000449323846 564181050 /nfs/dbraw/zinc/18/10/50/564181050.db2.gz XJBWVDBASSRSQP-LBPRGKRZSA-N 1 0 396.285 2.591 20 0 GFADRO COc1nccc(C[NH2+][C@@H](C)CC(=O)Nc2ccc(Br)cc2)n1 ZINC000449372196 564181909 /nfs/dbraw/zinc/18/19/09/564181909.db2.gz DJENHOMCQJJDHF-NSHDSACASA-N 1 0 379.258 2.755 20 0 GFADRO C[C@@H](CC(=O)Nc1ccccc1)[NH2+]CCn1cc(Br)ccc1=O ZINC000449373437 564182201 /nfs/dbraw/zinc/18/22/01/564182201.db2.gz BUXJNXOGXGAVIP-ZDUSSCGKSA-N 1 0 378.270 2.618 20 0 GFADRO C[C@@H](CC(=O)N(C)c1ccccc1)[NH2+]CCn1cc(Br)ccc1=O ZINC000449381106 564183200 /nfs/dbraw/zinc/18/32/00/564183200.db2.gz XSPAWTOOIVWPLS-AWEZNQCLSA-N 1 0 392.297 2.642 20 0 GFADRO O=C(C[NH2+]C1(c2ccc(Br)cc2)CCCC1)NC(=O)NC1CC1 ZINC000505462667 564183674 /nfs/dbraw/zinc/18/36/74/564183674.db2.gz STWMSVSODMJXLU-UHFFFAOYSA-N 1 0 380.286 2.796 20 0 GFADRO CN(CCOc1ccc(Br)cc1)C(=O)C[N@@H+]1CCC[C@@](C)(O)CC1 ZINC000471070549 564184890 /nfs/dbraw/zinc/18/48/90/564184890.db2.gz UVPZGJPXPWRTPB-GOSISDBHSA-N 1 0 399.329 2.523 20 0 GFADRO CCS(=O)(=O)C[C@@H](C)[NH2+][C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1 ZINC000538218613 564185344 /nfs/dbraw/zinc/18/53/44/564185344.db2.gz XRQQEZSSVRCOON-OLZOCXBDSA-N 1 0 380.432 2.577 20 0 GFADRO C[C@H](NC(=O)NC[C@H](c1cccs1)N1CCN(C)CC1)c1nccs1 ZINC000563309177 564185465 /nfs/dbraw/zinc/18/54/65/564185465.db2.gz BDPKZFBUJDUBAB-UONOGXRCSA-N 1 0 379.555 2.554 20 0 GFADRO COc1ccc(C[N@@H+]2C[C@H](O)C[C@H]2[C@H]2CCCOC2)c(Br)c1O ZINC000449431490 564185997 /nfs/dbraw/zinc/18/59/97/564185997.db2.gz DLCQVXSYVHXPFW-MJBXVCDLSA-N 1 0 386.286 2.525 20 0 GFADRO O[C@@H]1C[C@@H]([C@H]2CCCOC2)[N@H+](Cc2cc(Br)cc3c2OCC3)C1 ZINC000449433861 564186690 /nfs/dbraw/zinc/18/66/90/564186690.db2.gz ODEOVGVGERIHTA-XKQJLSEDSA-N 1 0 382.298 2.746 20 0 GFADRO CO[C@@H]1COCC[C@@H]1C[NH2+]Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000449464810 564187852 /nfs/dbraw/zinc/18/78/52/564187852.db2.gz ZNRDUWZRSPSKTL-RHSMWYFYSA-N 1 0 380.286 2.776 20 0 GFADRO CC(C)[NH2+]C1(CO)CCN(Cc2nc3ccc(Br)cc3n2C)CC1 ZINC000563360747 564188379 /nfs/dbraw/zinc/18/83/79/564188379.db2.gz WLQZJZXVRJRXHJ-UHFFFAOYSA-N 1 0 395.345 2.661 20 0 GFADRO O=C(CNC(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12)Nc1cc(Cl)ccc1Cl ZINC000505709754 564188548 /nfs/dbraw/zinc/18/85/48/564188548.db2.gz VUSJEEYFRITOCN-ZFWWWQNUSA-N 1 0 385.295 2.858 20 0 GFADRO COc1ccc(C[C@H](CO)C[NH2+]Cc2c(C)nn(C)c2C)cc1Br ZINC000449597116 564191108 /nfs/dbraw/zinc/19/11/08/564191108.db2.gz CZTIEGGUFVJSCN-HNNXBMFYSA-N 1 0 396.329 2.749 20 0 GFADRO Cc1ccc(C[C@@H](CO)C[NH2+][C@H]2CCC(=O)NC2(C)C)cc1Br ZINC000449599442 564191362 /nfs/dbraw/zinc/19/13/62/564191362.db2.gz KVTPNGCRDWFVOG-ZBFHGGJFSA-N 1 0 383.330 2.555 20 0 GFADRO Cc1ccc(O)c(C[NH2+]C[C@H](CO)Cc2cc(Br)ccc2F)n1 ZINC000449604293 564191923 /nfs/dbraw/zinc/19/19/23/564191923.db2.gz XFTVBXNCQHVADZ-GFCCVEGCSA-N 1 0 383.261 2.938 20 0 GFADRO CCN1C[C@H](C)[C@H]([NH2+]C[C@@H](CO)Cc2ccc(OC)c(Br)c2)C1 ZINC000449601148 564192030 /nfs/dbraw/zinc/19/20/30/564192030.db2.gz QQYIYEXKFZIUJF-JLJPHGGASA-N 1 0 385.346 2.539 20 0 GFADRO O=C(NCc1cccc(Cl)c1Cl)C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000563453047 564192174 /nfs/dbraw/zinc/19/21/74/564192174.db2.gz CANZRYFDSBJCHI-HNNXBMFYSA-N 1 0 384.307 2.600 20 0 GFADRO COCCN1CCC([NH2+]C[C@H](CO)Cc2ccc(C)c(Br)c2)CC1 ZINC000449601381 564192239 /nfs/dbraw/zinc/19/22/39/564192239.db2.gz RJDUHPKIMBDILK-QGZVFWFLSA-N 1 0 399.373 2.609 20 0 GFADRO O[C@@H](C[NH2+]CCOCc1ccc(Cl)cc1Cl)COC1CCOCC1 ZINC000563528805 564195548 /nfs/dbraw/zinc/19/55/48/564195548.db2.gz HIQYDQMMUHOXOJ-HNNXBMFYSA-N 1 0 378.296 2.656 20 0 GFADRO C[C@H](NC(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ncc(Br)cn1 ZINC000563547140 564196539 /nfs/dbraw/zinc/19/65/39/564196539.db2.gz GTQBLWYFLVEWCE-DZGCQCFKSA-N 1 0 389.297 2.938 20 0 GFADRO COc1ccc(C[NH2+]C[C@@H](CO)Cc2cc(Br)ccc2OC)cn1 ZINC000449686689 564196784 /nfs/dbraw/zinc/19/67/84/564196784.db2.gz ZMYLHTCDVRDBCW-AWEZNQCLSA-N 1 0 395.297 2.802 20 0 GFADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+]CCC[C@@H]1CCOC1 ZINC000449690363 564196805 /nfs/dbraw/zinc/19/68/05/564196805.db2.gz OXONMZDUPLBWPD-ZIAGYGMSSA-N 1 0 399.329 2.869 20 0 GFADRO CC(C)OCC[C@@H](O)C[NH+]1CCN(Cc2ccc(Br)cc2)CC1 ZINC000471524289 564196882 /nfs/dbraw/zinc/19/68/82/564196882.db2.gz ZAIOIYZMSNKLIM-GOSISDBHSA-N 1 0 385.346 2.743 20 0 GFADRO COCCN1CCC([NH2+]C[C@H](CO)Cc2cccc(Br)c2C)CC1 ZINC000449686354 564197037 /nfs/dbraw/zinc/19/70/37/564197037.db2.gz WEHFWZSKGJZLAJ-MRXNPFEDSA-N 1 0 399.373 2.609 20 0 GFADRO Cc1c(Br)cccc1C[C@H](CO)C[NH2+]Cc1c[nH]c2nccnc12 ZINC000449685991 564197071 /nfs/dbraw/zinc/19/70/71/564197071.db2.gz UWDUNZCBRKMTJI-ZDUSSCGKSA-N 1 0 389.297 2.921 20 0 GFADRO Cc1c(Br)cccc1C[C@@H](CO)C[NH2+]Cc1ccnc(N(C)C)n1 ZINC000449686927 564197271 /nfs/dbraw/zinc/19/72/71/564197271.db2.gz ZBGQLNIHGZABMP-CQSZACIVSA-N 1 0 393.329 2.554 20 0 GFADRO Cc1cc(NC(=O)c2ccco2)sc1C(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000449723419 564198794 /nfs/dbraw/zinc/19/87/94/564198794.db2.gz RDMJBGOXYBOADA-JTQLQIEISA-N 1 0 375.372 2.911 20 0 GFADRO O=C(NC[C@H]1C[NH2+]CCO1)NC1(c2ccccc2Br)CCCCC1 ZINC000563610026 564199400 /nfs/dbraw/zinc/19/94/00/564199400.db2.gz WPQSIDFPRUYFHZ-CQSZACIVSA-N 1 0 396.329 2.896 20 0 GFADRO COCC[C@@H](Cc1cccc(Br)c1)C(=O)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000449733985 564199645 /nfs/dbraw/zinc/19/96/45/564199645.db2.gz QUVWKJPWSJIXOK-XYJFISCASA-N 1 0 395.341 2.855 20 0 GFADRO C[NH+](C)C[C@@H]1CCCN1C(=O)c1cc(F)c(F)cc1I ZINC000471600502 564199801 /nfs/dbraw/zinc/19/98/01/564199801.db2.gz CGVXBLUMKFTAAS-VIFPVBQESA-N 1 0 394.203 2.736 20 0 GFADRO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1C[C@H](C)c1cccc(Br)c1 ZINC000538761904 564200691 /nfs/dbraw/zinc/20/06/91/564200691.db2.gz KEPRXGMESWCRDS-WFASDCNBSA-N 1 0 375.332 2.566 20 0 GFADRO C[NH+](C)CCOCCNC(=O)NCC(C)(C)c1ccc(Br)cc1 ZINC000471659911 564201260 /nfs/dbraw/zinc/20/12/60/564201260.db2.gz VAIQEKGVSISWJT-UHFFFAOYSA-N 1 0 386.334 2.604 20 0 GFADRO CC(C)(C[NH+]1CCCC1)NCc1cn(-c2ccccc2Br)nn1 ZINC000449779494 564201779 /nfs/dbraw/zinc/20/17/79/564201779.db2.gz XPHFUWPYEZEFSG-UHFFFAOYSA-N 1 0 378.318 2.994 20 0 GFADRO O=C(N[C@H]1CC[N@@H+](C2CC2)C1)c1cc(I)ccc1Cl ZINC000471806571 564205211 /nfs/dbraw/zinc/20/52/11/564205211.db2.gz ZMARHUFVVDJSNP-JTQLQIEISA-N 1 0 390.652 2.911 20 0 GFADRO COc1ccc2c(c1F)CC[C@H]2[NH2+]CCN(C)S(=O)(=O)c1cccs1 ZINC000563767200 564205491 /nfs/dbraw/zinc/20/54/91/564205491.db2.gz VLJFGCDGHXGZIZ-CQSZACIVSA-N 1 0 384.498 2.793 20 0 GFADRO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)CN1CC[N@H+](C)[C@H](C)[C@H]1C ZINC000538943358 564206311 /nfs/dbraw/zinc/20/63/11/564206311.db2.gz RGCVLAZPPSHDNO-GHMZBOCLSA-N 1 0 388.295 2.743 20 0 GFADRO C[C@@H]1C[NH+](CCCCNC(=O)c2ccc(Br)cc2N)C[C@@H](C)O1 ZINC000471913178 564206876 /nfs/dbraw/zinc/20/68/76/564206876.db2.gz UNVKYUMRRQRCNC-CHWSQXEVSA-N 1 0 384.318 2.651 20 0 GFADRO COc1ccc(SCCC(=O)N2C[C@H](SC)[C@@H]([NH+](C)C)C2)cc1OC ZINC000539025415 564207559 /nfs/dbraw/zinc/20/75/59/564207559.db2.gz JATDSBOYDTWSAJ-YOEHRIQHSA-N 1 0 384.567 2.690 20 0 GFADRO CNC(=O)CCC[NH2+][C@H]1CCCOc2ccc(I)cc21 ZINC000539070913 564208831 /nfs/dbraw/zinc/20/88/31/564208831.db2.gz DPBITEBBSPHVKV-ZDUSSCGKSA-N 1 0 388.249 2.621 20 0 GFADRO CN(C)C(=O)[C@@H]1CCCN1CCC[NH2+][C@@H]1CCc2c1cccc2Br ZINC000539202398 564212948 /nfs/dbraw/zinc/21/29/48/564212948.db2.gz HVDWVQHYAAFEDF-MSOLQXFVSA-N 1 0 394.357 2.969 20 0 GFADRO COc1ncc(C(=O)N2CCc3ccccc3[C@@H]2C[NH3+])cc1Br ZINC000564088246 564219493 /nfs/dbraw/zinc/21/94/93/564219493.db2.gz ZGLYELLHGTTYQT-HNNXBMFYSA-N 1 0 376.254 2.551 20 0 GFADRO C[C@@H](CNC(=O)Nc1ccncc1Br)[N@H+](C)Cc1ccccc1 ZINC000507162660 564220043 /nfs/dbraw/zinc/22/00/43/564220043.db2.gz TWTLOJQZQYHSOA-ZDUSSCGKSA-N 1 0 377.286 2.908 20 0 GFADRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]Cc3cc4c(cc3Br)OCO4)[C@H]2C1 ZINC000564121163 564221352 /nfs/dbraw/zinc/22/13/52/564221352.db2.gz YOBBDTADENRKHE-NOLJZWGESA-N 1 0 395.297 2.914 20 0 GFADRO CN(C1CCCCC1)S(=O)(=O)N1CC[NH+](C[C@H]2CCC(F)(F)C2)CC1 ZINC000450257517 564224187 /nfs/dbraw/zinc/22/41/87/564224187.db2.gz LZISALZWLCCAGG-HNNXBMFYSA-N 1 0 379.517 2.549 20 0 GFADRO C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)NCCC[N@H+](C)CCN(C)C ZINC000564199803 564224859 /nfs/dbraw/zinc/22/48/59/564224859.db2.gz NDPKABCZUKZEIQ-ZDUSSCGKSA-N 1 0 376.328 2.760 20 0 GFADRO Cc1cc(C[N@H+]2CCC[C@@H](S(=O)(=O)N(C)C)C2)cc(C)c1OC(F)F ZINC000564312152 564228629 /nfs/dbraw/zinc/22/86/29/564228629.db2.gz COSYCPVUAQMCMT-OAHLLOKOSA-N 1 0 376.469 2.761 20 0 GFADRO CCOCCS(=O)(=O)NC[C@@H](c1c(F)cccc1Cl)N1CCCC1 ZINC000507438554 564229127 /nfs/dbraw/zinc/22/91/27/564229127.db2.gz YYSNVSNQOZXDKV-HNNXBMFYSA-N 1 0 378.897 2.572 20 0 GFADRO Cc1cc(Br)cc(NC(=O)C(=O)N[C@H](c2nccn2C)C2CC2)c1 ZINC000507444004 564229256 /nfs/dbraw/zinc/22/92/56/564229256.db2.gz NVGDVJGNHPCYKI-AWEZNQCLSA-N 1 0 391.269 2.697 20 0 GFADRO C[NH+](C)CCOC1CCN(Cc2cnc3ccc(Br)cn23)CC1 ZINC000539832400 564229500 /nfs/dbraw/zinc/22/95/00/564229500.db2.gz UAEYRFAWGXCFRL-UHFFFAOYSA-N 1 0 381.318 2.639 20 0 GFADRO Cc1cc(Br)ccc1S(=O)(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000472674321 564229643 /nfs/dbraw/zinc/22/96/43/564229643.db2.gz AGNNALOPTCMUGL-GFCCVEGCSA-N 1 0 375.332 2.768 20 0 GFADRO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)c1cnn2cc(Br)cnc12 ZINC000539874640 564230892 /nfs/dbraw/zinc/23/08/92/564230892.db2.gz NSUWGPGULKDGFJ-AWEZNQCLSA-N 1 0 394.317 2.732 20 0 GFADRO C[N@H+](CCCC(=O)c1ccc(Br)cc1)C[C@H]1CCS(=O)(=O)C1 ZINC000450429592 564233091 /nfs/dbraw/zinc/23/30/91/564233091.db2.gz MBHJHYQMLSXQCV-CYBMUJFWSA-N 1 0 388.327 2.779 20 0 GFADRO CSc1nc(C(C)(C)C)nc(C)c1C(=O)N1C[C@H](SC)[C@@H]([NH+](C)C)C1 ZINC000540124725 564240151 /nfs/dbraw/zinc/24/01/51/564240151.db2.gz NWSFHARBXHYHCU-STQMWFEESA-N 1 0 382.599 2.922 20 0 GFADRO CC(C)(CO)[C@H]([NH2+]CCOc1ccc(S(C)(=O)=O)cc1)c1cccs1 ZINC000564615047 564241960 /nfs/dbraw/zinc/24/19/60/564241960.db2.gz QDNHRUROXKASTR-QGZVFWFLSA-N 1 0 383.535 2.880 20 0 GFADRO COCCOC[C@H](O)C[N@@H+]1CCCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000450640587 564242762 /nfs/dbraw/zinc/24/27/62/564242762.db2.gz MVBGXYKGFKOHLL-OAHLLOKOSA-N 1 0 377.312 2.529 20 0 GFADRO CC[C@H]1C[C@@H](C[NH+]2CCN(c3ncc(Br)c(OC)n3)CC2)CCO1 ZINC000507770272 564243046 /nfs/dbraw/zinc/24/30/46/564243046.db2.gz CZUKWHGGECRHMA-KBPBESRZSA-N 1 0 399.333 2.575 20 0 GFADRO C[C@@H]([NH2+]C[C@H]1CCNC(=O)CC1)c1cc2c(cc1Br)OCCO2 ZINC000450675071 564243984 /nfs/dbraw/zinc/24/39/84/564243984.db2.gz NRCBPHDAJZDPTN-VXGBXAGGSA-N 1 0 383.286 2.787 20 0 GFADRO CCCNC(=O)C[C@H](C(N)=O)[N@H+](CCC)Cc1cc(Br)ccc1C ZINC000450714351 564244677 /nfs/dbraw/zinc/24/46/77/564244677.db2.gz VUXFWFDFRDUZJX-MRXNPFEDSA-N 1 0 398.345 2.740 20 0 GFADRO O[C@H](C[NH2+]CCc1csc(N2CCCC2)n1)COc1ccc(Cl)cc1 ZINC000564723686 564246016 /nfs/dbraw/zinc/24/60/16/564246016.db2.gz ORZWUJXJXGGLLB-MRXNPFEDSA-N 1 0 381.929 2.969 20 0 GFADRO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)[C@@H]1CC(=O)Nc2ccc(Br)cc21 ZINC000564714800 564246044 /nfs/dbraw/zinc/24/60/44/564246044.db2.gz KJIIZJHCTWDWLY-OSAQELSMSA-N 1 0 392.297 2.570 20 0 GFADRO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@@H]1CC(=O)Nc2ccc(Br)cc21 ZINC000564714802 564246539 /nfs/dbraw/zinc/24/65/39/564246539.db2.gz KJIIZJHCTWDWLY-UXIGCNINSA-N 1 0 392.297 2.570 20 0 GFADRO C[N@H+](CCc1ccccc1)[C@@H]1CCN(S(=O)(=O)c2cncc(Cl)c2)C1 ZINC000564739548 564246803 /nfs/dbraw/zinc/24/68/03/564246803.db2.gz JFTMRAVWXRBNOO-QGZVFWFLSA-N 1 0 379.913 2.673 20 0 GFADRO CC[N@H+](C)CCNC(=O)N[C@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O ZINC000473429464 564247230 /nfs/dbraw/zinc/24/72/30/564247230.db2.gz VFLNHSXGCDBLAF-AWEZNQCLSA-N 1 0 387.311 2.740 20 0 GFADRO CC(C)[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000564836249 564251725 /nfs/dbraw/zinc/25/17/25/564251725.db2.gz RLNPNBFPFXYCMT-WFGGJUAMSA-N 1 0 383.945 2.742 20 0 GFADRO C[NH+](C)CCOCCNC(=O)Nc1ccc(Cl)cc1OCC(F)(F)F ZINC000473681385 564252423 /nfs/dbraw/zinc/25/24/23/564252423.db2.gz XNTOJJXALOMPSI-UHFFFAOYSA-N 1 0 383.798 2.981 20 0 GFADRO O=C1[C@H]([NH2+]C[C@@H]2CN(C3CC3)CCO2)CCN1c1ccc(Cl)cc1Cl ZINC000473679598 564252626 /nfs/dbraw/zinc/25/26/26/564252626.db2.gz UORPDIUORKHHRF-GDBMZVCRSA-N 1 0 384.307 2.552 20 0 GFADRO CC(C)[NH+]1CCC(O)(CNC(=O)NCCSc2ccc(Cl)cc2)CC1 ZINC000473881008 564255085 /nfs/dbraw/zinc/25/50/85/564255085.db2.gz XRIKCOMJTVZRNT-UHFFFAOYSA-N 1 0 385.961 2.967 20 0 GFADRO CC[NH+](CC)CCO[C@@H]1CCN(S(=O)(=O)c2cc(C)c(Cl)s2)C1 ZINC000473856986 564255538 /nfs/dbraw/zinc/25/55/38/564255538.db2.gz FNLSZUCVFWKZRS-CYBMUJFWSA-N 1 0 380.963 2.831 20 0 GFADRO C[NH+](C)[C@@H](CNS(=O)(=O)c1ccc(Br)o1)C1CCCCC1 ZINC000473914025 564256176 /nfs/dbraw/zinc/25/61/76/564256176.db2.gz WDBRCSPXAIHOSB-LBPRGKRZSA-N 1 0 379.320 2.831 20 0 GFADRO CS[C@H]1CN(C(=O)c2cc(C)n(-c3cccc(Cl)c3)n2)C[C@@H]1[NH+](C)C ZINC000540805427 564256692 /nfs/dbraw/zinc/25/66/92/564256692.db2.gz IQPCKVXZPNYYPQ-IRXDYDNUSA-N 1 0 378.929 2.952 20 0 GFADRO Cn1ccnc1Sc1ncc(C(=O)NC[C@H]2CCC[C@H]([NH3+])C2)cc1Cl ZINC000564955734 564258747 /nfs/dbraw/zinc/25/87/47/564258747.db2.gz XUSHFAQFFIMRNB-AAEUAGOBSA-N 1 0 379.917 2.867 20 0 GFADRO C[N@@H+]1CCN(CCNC(=O)c2ccc(Br)c(Cl)c2)CC1(C)C ZINC000508282109 564259819 /nfs/dbraw/zinc/25/98/19/564259819.db2.gz BLKICGROPJPTKI-UHFFFAOYSA-N 1 0 388.737 2.858 20 0 GFADRO OC[C@@H](CC1CCCC1)[NH2+]C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000564978478 564260786 /nfs/dbraw/zinc/26/07/86/564260786.db2.gz NEIVCWDMSAHPMG-CVEARBPZSA-N 1 0 390.293 2.859 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)c(C)c1C(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000564995481 564262076 /nfs/dbraw/zinc/26/20/76/564262076.db2.gz XYHMCIFOBHLRGG-BDJLRTHQSA-N 1 0 391.313 2.979 20 0 GFADRO Cn1cc(Br)cc1-c1nnc(N2CCC([NH+]3CCCC3)CC2)n1C ZINC000508433713 564263440 /nfs/dbraw/zinc/26/34/40/564263440.db2.gz LOANGFYVYGKIOS-UHFFFAOYSA-N 1 0 393.333 2.648 20 0 GFADRO COCC[C@H](C)S(=O)(=O)N(CC[NH+]1CCCC1)Cc1ccc(Cl)cc1 ZINC000541046170 564263755 /nfs/dbraw/zinc/26/37/55/564263755.db2.gz AAEANTPJCABIGE-INIZCTEOSA-N 1 0 388.961 2.993 20 0 GFADRO C[NH+](C)C1(CNC(=O)c2cn(-c3ccc(Br)cc3)cn2)CCC1 ZINC000474108938 564264684 /nfs/dbraw/zinc/26/46/84/564264684.db2.gz ZYQPVUYSWQPMQC-UHFFFAOYSA-N 1 0 377.286 2.849 20 0 GFADRO COC(=O)C[C@@H]1COCCN1CCCC(=O)c1ccc(Br)cc1 ZINC000451031401 564264908 /nfs/dbraw/zinc/26/49/08/564264908.db2.gz PYFHBOMAGWMGSW-OAHLLOKOSA-N 1 0 384.270 2.676 20 0 GFADRO C[C@@](CO)(NCc1cc2c(c(Br)c1)OCO2)c1cccc(O)c1 ZINC000451031830 564264926 /nfs/dbraw/zinc/26/49/26/564264926.db2.gz NPACHQDHPJJWAR-KRWDZBQOSA-N 1 0 380.238 2.881 20 0 GFADRO Cc1ccc(CN(CC[NH+](C)C)C(=O)c2cc(Br)c(=O)[nH]c2C)o1 ZINC000508582556 564267517 /nfs/dbraw/zinc/26/75/17/564267517.db2.gz NFAKEYTXIXKMID-UHFFFAOYSA-N 1 0 396.285 2.964 20 0 GFADRO C[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H](CO)c1ccc(Cl)cc1C(F)(F)F ZINC000474178635 564268640 /nfs/dbraw/zinc/26/86/40/564268640.db2.gz QNNSMZGVQRIJEL-RISCZKNCSA-N 1 0 379.810 2.786 20 0 GFADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2C)C1 ZINC000508705854 564270255 /nfs/dbraw/zinc/27/02/55/564270255.db2.gz LKVGIJUCWNNINQ-ZDUSSCGKSA-N 1 0 395.349 2.751 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)c1cc(I)ccc1F)C1CC1 ZINC000474223100 564270719 /nfs/dbraw/zinc/27/07/19/564270719.db2.gz LODICWYBONWIQF-ZDUSSCGKSA-N 1 0 376.213 2.500 20 0 GFADRO C[C@]1(CO)CCC[C@H]1[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000474358576 564276288 /nfs/dbraw/zinc/27/62/88/564276288.db2.gz XGSZAVPLXRRTBW-QZTJIDSGSA-N 1 0 383.330 2.926 20 0 GFADRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)N[C@H](C)c2ncc(Br)cn2)C1 ZINC000565340725 564277110 /nfs/dbraw/zinc/27/71/10/564277110.db2.gz BJYVRMODQWIRGM-CHWSQXEVSA-N 1 0 384.322 2.577 20 0 GFADRO COC[C@@]1(CNC(=O)N2Cc3cc(Br)ccc3C[C@@H]2C)CCC[NH2+]1 ZINC000565353416 564277182 /nfs/dbraw/zinc/27/71/82/564277182.db2.gz MIQVAJVMQFWSIM-UGSOOPFHSA-N 1 0 396.329 2.674 20 0 GFADRO COc1cc(S(=O)(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)ccc1Cl ZINC000565373388 564277880 /nfs/dbraw/zinc/27/78/80/564277880.db2.gz RTVBAGYDAMGBEV-GOEBONIOSA-N 1 0 384.860 2.603 20 0 GFADRO CCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1c(C)cc(Br)cc1C ZINC000508994566 564278740 /nfs/dbraw/zinc/27/87/40/564278740.db2.gz DZNLORNNOVQKNX-HNNXBMFYSA-N 1 0 396.329 2.995 20 0 GFADRO COC1CC[NH+](C(C)(C)CNS(=O)(=O)C[C@@H]2CCCCC2(F)F)CC1 ZINC000451175139 564283572 /nfs/dbraw/zinc/28/35/72/564283572.db2.gz HZMJCMSOJNDZHX-AWEZNQCLSA-N 1 0 382.517 2.621 20 0 GFADRO Cc1cccc(I)c1C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000474635308 564283943 /nfs/dbraw/zinc/28/39/43/564283943.db2.gz OOOJZJDNUAKHPV-KBPBESRZSA-N 1 0 384.261 2.956 20 0 GFADRO CC[N@@H+]1CCCN(C(=O)c2cc(I)ccc2F)CC1 ZINC000474721778 564286955 /nfs/dbraw/zinc/28/69/55/564286955.db2.gz VTYVLQMRVRPNIA-UHFFFAOYSA-N 1 0 376.213 2.598 20 0 GFADRO CSc1ccc(OC[C@@H](O)C[NH2+]C[C@@H]2CCN(CC(F)(F)F)C2)cc1 ZINC000565593179 564287280 /nfs/dbraw/zinc/28/72/80/564287280.db2.gz FDFAQTSZFLLICG-KBPBESRZSA-N 1 0 378.460 2.622 20 0 GFADRO CS[C@@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2C)C[C@H]1[NH+](C)C ZINC000509222039 564288775 /nfs/dbraw/zinc/28/87/75/564288775.db2.gz FUZMTKKTIDSSMS-CHWSQXEVSA-N 1 0 382.473 2.680 20 0 GFADRO O=S(=O)(NC[C@H](O)C[NH+]1CCCCC1)c1sc2ccccc2c1Cl ZINC000451228420 564289503 /nfs/dbraw/zinc/28/95/03/564289503.db2.gz NOIOPYWSDFDQJM-LBPRGKRZSA-N 1 0 388.942 2.680 20 0 GFADRO C[C@H](C[NH2+][C@@H](Cc1ccccc1)C(N)=O)Oc1cccc(Br)c1 ZINC000541800565 564289823 /nfs/dbraw/zinc/28/98/23/564289823.db2.gz FFFNWTCERSRLSQ-DYVFJYSZSA-N 1 0 377.282 2.903 20 0 GFADRO CC[NH2+]CCCNC(=O)C(=O)N1CC=C(c2ccc(Cl)c(Cl)c2)CC1 ZINC000565648848 564289937 /nfs/dbraw/zinc/28/99/37/564289937.db2.gz XCYJDHGNNPVWQC-UHFFFAOYSA-N 1 0 384.307 2.725 20 0 GFADRO Cc1cc(C(=O)NC(C)(C)CC[NH+]2CCN(C)CC2)c(Br)s1 ZINC000474819554 564290010 /nfs/dbraw/zinc/29/00/10/564290010.db2.gz WBVWIGAEDNDSQV-UHFFFAOYSA-N 1 0 388.375 2.965 20 0 GFADRO Cc1ncc2n1CC[C@@H](C(=O)N(CCO)Cc1cccc(Br)c1)C2 ZINC000565689100 564291284 /nfs/dbraw/zinc/29/12/84/564291284.db2.gz VCHBHNZZZAZQSF-OAHLLOKOSA-N 1 0 392.297 2.538 20 0 GFADRO Cc1cc(Br)cn2cc(CNC(=O)N[C@H]3CC[N@H+](C)[C@@H](C)C3)nc12 ZINC000541841676 564291592 /nfs/dbraw/zinc/29/15/92/564291592.db2.gz ANPHVMYAISTPBH-JSGCOSHPSA-N 1 0 394.317 2.687 20 0 GFADRO CC[C@H]1[NH2+]CC[C@H]1C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(CC)CC)c1 ZINC000565717054 564292514 /nfs/dbraw/zinc/29/25/14/564292514.db2.gz PSKHSWQGIASGQK-UKRRQHHQSA-N 1 0 387.933 2.697 20 0 GFADRO O=S(=O)(c1ccc(C[NH2+][C@@H]2CCCC[C@H]2C2CC2)s1)N1CCOCC1 ZINC000541882395 564293549 /nfs/dbraw/zinc/29/35/49/564293549.db2.gz MVUWJSBXIIHEMZ-DLBZAZTESA-N 1 0 384.567 2.827 20 0 GFADRO C[C@@H]([NH2+]CCc1ccc(S(=O)(=O)N2CCCCC2)s1)[C@@H]1CCCOC1 ZINC000541882612 564293739 /nfs/dbraw/zinc/29/37/39/564293739.db2.gz XCJAMMSOFNSLRF-HZPDHXFCSA-N 1 0 386.583 2.870 20 0 GFADRO COC(=O)[C@H]1Cc2c(Br)cccc2CN1CC[C@H]1CCC[N@@H+]1C ZINC000451279002 564294560 /nfs/dbraw/zinc/29/45/60/564294560.db2.gz PXKNEKFZVGOANF-RHSMWYFYSA-N 1 0 381.314 2.833 20 0 GFADRO CC[NH+](CC)C[C@@H](C)NC(=O)c1cc(I)ccc1F ZINC000474934369 564294744 /nfs/dbraw/zinc/29/47/44/564294744.db2.gz YOUISZFRJZKFJX-SNVBAGLBSA-N 1 0 378.229 2.890 20 0 GFADRO O=C(NCC1CC[NH2+]CC1)Nc1ccnn1Cc1ccc(Br)cc1 ZINC000565763173 564295043 /nfs/dbraw/zinc/29/50/43/564295043.db2.gz JQGXTPFEYVGPNI-UHFFFAOYSA-N 1 0 392.301 2.815 20 0 GFADRO Cc1nc2sccn2c(=O)c1CC[N@@H+](C)Cc1cc(Br)cn1C ZINC000509391931 564295936 /nfs/dbraw/zinc/29/59/36/564295936.db2.gz ZWDGQHKNTWAYIG-UHFFFAOYSA-N 1 0 395.326 2.840 20 0 GFADRO CS(=O)(=O)N1CC[C@@H](C[NH+]2CCC(c3nc(C(F)(F)F)cs3)CC2)C1 ZINC000451292645 564296780 /nfs/dbraw/zinc/29/67/80/564296780.db2.gz FAKRFMJPDAUQLK-NSHDSACASA-N 1 0 397.488 2.623 20 0 GFADRO Cc1cc(Br)cn2c(C[NH2+][C@@H]3CC(=O)N4CCCC[C@H]34)cnc12 ZINC000509402583 564296844 /nfs/dbraw/zinc/29/68/44/564296844.db2.gz LKGJRKQNKOBEBM-HUUCEWRRSA-N 1 0 377.286 2.648 20 0 GFADRO C[C@@H](CCC[NH3+])NC(=O)CCC[S@@](=O)c1ccc(Br)cc1 ZINC000565833061 564297982 /nfs/dbraw/zinc/29/79/82/564297982.db2.gz JXYOOHKWROZJDO-LAJNKCICSA-N 1 0 375.332 2.581 20 0 GFADRO Cc1nn(C)c(C)c1C[NH2+]CCOc1ccc(I)cc1 ZINC000509428097 564298229 /nfs/dbraw/zinc/29/82/29/564298229.db2.gz CZYWQPLAAKPXAT-UHFFFAOYSA-N 1 0 385.249 2.810 20 0 GFADRO COc1cc(Cl)c(S(=O)(=O)NCC[N@H+](C)C2CCCCC2)cc1OC ZINC000565841150 564299068 /nfs/dbraw/zinc/29/90/68/564299068.db2.gz TXFMQIIFRFIXNP-UHFFFAOYSA-N 1 0 390.933 2.900 20 0 GFADRO C[C@@H]1C[N@H+](C)[C@H](C)CN1Cc1nc(Cc2cccc(Br)c2)no1 ZINC000509433376 564299768 /nfs/dbraw/zinc/29/97/68/564299768.db2.gz UNFHQBZMYTUTKA-CHWSQXEVSA-N 1 0 379.302 2.947 20 0 GFADRO CC(C)[C@@H](CCO)[NH2+]C[C@H](O)COc1ccc(Cl)cc1Br ZINC000475138385 564300647 /nfs/dbraw/zinc/30/06/47/564300647.db2.gz MBRWBRPWJRJSSK-GXTWGEPZSA-N 1 0 380.710 2.839 20 0 GFADRO [NH3+]C[C@@H]1CN(Cc2cc(Br)cc(F)c2F)CC12CCOCC2 ZINC000565899023 564301835 /nfs/dbraw/zinc/30/18/35/564301835.db2.gz YHNIFFNEMJWATA-GFCCVEGCSA-N 1 0 375.257 2.915 20 0 GFADRO CCC[N@H+](C)C[C@H]1CCN(S(=O)(=O)c2cccc(Br)c2F)C1 ZINC000542141412 564302067 /nfs/dbraw/zinc/30/20/67/564302067.db2.gz KXKIJJCBBTVHLL-GFCCVEGCSA-N 1 0 393.322 2.941 20 0 GFADRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1Nc1ncc(S(N)(=O)=O)s1 ZINC000509514592 564302025 /nfs/dbraw/zinc/30/20/25/564302025.db2.gz FVNFUFACSTVNHM-AWEZNQCLSA-N 1 0 380.539 2.503 20 0 GFADRO CC(C)CS(=O)(=O)N1CCC([NH2+]Cc2cc(Cl)cc3c2OCC3)CC1 ZINC000542133974 564302358 /nfs/dbraw/zinc/30/23/58/564302358.db2.gz YOSPILDTUBIKHQ-UHFFFAOYSA-N 1 0 386.945 2.815 20 0 GFADRO C[C@H](CCc1ccc(I)cc1)[NH2+]C[C@]1(O)CCO[C@H]1C ZINC000475189880 564302418 /nfs/dbraw/zinc/30/24/18/564302418.db2.gz IRAMAPWDSLRMSL-DVOMOZLQSA-N 1 0 389.277 2.742 20 0 GFADRO O=C(NCC[C@H]1CC[NH2+]C1)N1CCO[C@H](c2cccc(Br)c2)C1 ZINC000565941270 564303665 /nfs/dbraw/zinc/30/36/65/564303665.db2.gz XMXNXZAJJHSZFB-CJNGLKHVSA-N 1 0 382.302 2.532 20 0 GFADRO NC(=O)[C@@H](Cc1ccc(F)cc1)[NH2+]CCc1ccc(F)c(Br)c1 ZINC000542235008 564305730 /nfs/dbraw/zinc/30/57/30/564305730.db2.gz PEPXEZZLEOEYNG-MRXNPFEDSA-N 1 0 383.236 2.956 20 0 GFADRO Cc1ccncc1CCC[NH2+]CCNS(=O)(=O)c1ccc(Cl)cc1F ZINC000566036377 564306659 /nfs/dbraw/zinc/30/66/59/564306659.db2.gz DZLPXYIYHJHACU-UHFFFAOYSA-N 1 0 385.892 2.683 20 0 GFADRO CC(=O)N1CCC[C@H](C[NH2+]Cc2cc(Br)c3c(c2)OCCCO3)C1 ZINC000475431030 564308029 /nfs/dbraw/zinc/30/80/29/564308029.db2.gz ZBBKAVCRJZEIQI-CQSZACIVSA-N 1 0 397.313 2.959 20 0 GFADRO C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)[C@@H]1CCN(c2cc(Cl)ccc2Cl)C1=O ZINC000509651538 564308260 /nfs/dbraw/zinc/30/82/60/564308260.db2.gz LALAZHGJOIMQSP-YRGRVCCFSA-N 1 0 384.307 2.897 20 0 GFADRO CN(C)S(=O)(=O)CC[NH+]1CCC(COc2cc(Cl)cc(Cl)c2)CC1 ZINC000509658031 564308317 /nfs/dbraw/zinc/30/83/17/564308317.db2.gz NRJMTJPBAVXPNF-UHFFFAOYSA-N 1 0 395.352 2.976 20 0 GFADRO O=C(COc1ccc(Br)cc1)N1CC[C@@H](OCC[NH+]2CCCC2)C1 ZINC000475450250 564308414 /nfs/dbraw/zinc/30/84/14/564308414.db2.gz BNFMUZPNIDTOEN-QGZVFWFLSA-N 1 0 397.313 2.541 20 0 GFADRO [NH3+]C[C@H]1CCCN(C(=O)C(=O)N(Cc2cccs2)Cc2cccs2)C1 ZINC000566090268 564308602 /nfs/dbraw/zinc/30/86/02/564308602.db2.gz YAOQCAHPCBWLIT-CQSZACIVSA-N 1 0 377.535 2.536 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2ccc(OCC(F)F)cc2)C[C@H]1C ZINC000542269018 564308890 /nfs/dbraw/zinc/30/88/90/564308890.db2.gz YJHOTSZFNNWYGE-KGLIPLIRSA-N 1 0 376.469 2.824 20 0 GFADRO CS(=O)(=O)C1(C[NH2+]Cc2cccc(Br)c2OC(F)F)CC1 ZINC000475435393 564308933 /nfs/dbraw/zinc/30/89/33/564308933.db2.gz SYHOTVIFEQNZMB-UHFFFAOYSA-N 1 0 384.242 2.717 20 0 GFADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)NCC[C@@H](C)[NH+]2CCCCC2)c1 ZINC000542317702 564309816 /nfs/dbraw/zinc/30/98/16/564309816.db2.gz LTENEEPLQRVSDG-CYBMUJFWSA-N 1 0 388.917 2.669 20 0 GFADRO O=C(NCC[NH2+]C[C@@H](O)CCc1ccccc1)c1ccc(Br)cc1 ZINC000566108208 564310622 /nfs/dbraw/zinc/31/06/22/564310622.db2.gz WFWHUWWTQFAJMI-SFHVURJKSA-N 1 0 391.309 2.762 20 0 GFADRO C[C@H](Cn1cc(Br)cn1)[NH2+][C@H](C)C(=O)N1Cc2ccccc2C1 ZINC000475494185 564310656 /nfs/dbraw/zinc/31/06/56/564310656.db2.gz AEDAKOJGQBLUBS-CHWSQXEVSA-N 1 0 377.286 2.555 20 0 GFADRO Cc1cc(Br)cc(NC(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)[C@H]2C)c1 ZINC000509769238 564313003 /nfs/dbraw/zinc/31/30/03/564313003.db2.gz BYFPPCGABJPYGT-CZUORRHYSA-N 1 0 394.313 2.781 20 0 GFADRO Ic1ccc(CN2CCC[C@@H]2C[NH2+]Cc2cc[nH]n2)cc1 ZINC000475635469 564314372 /nfs/dbraw/zinc/31/43/72/564314372.db2.gz PYLKWRZLJKSHNR-MRXNPFEDSA-N 1 0 396.276 2.769 20 0 GFADRO CCN(CC[NH+]1CCCCCC1)C(=O)C(=O)Nc1cncc(Br)c1 ZINC000509824246 564314501 /nfs/dbraw/zinc/31/45/01/564314501.db2.gz KFLXQNWLXMVUPD-UHFFFAOYSA-N 1 0 397.317 2.507 20 0 GFADRO O=C(c1cnc2ccc(Br)cc2c1O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000542502410 564316533 /nfs/dbraw/zinc/31/65/33/564316533.db2.gz JXPJXQNZKAVJNQ-CYBMUJFWSA-N 1 0 390.281 2.601 20 0 GFADRO CN1CCN(C)[C@@H](c2noc([C@@H]3CCc4cc(Br)ccc43)n2)C1 ZINC000566217669 564317529 /nfs/dbraw/zinc/31/75/29/564317529.db2.gz VMJQHAWNAAAPAC-HUUCEWRRSA-N 1 0 377.286 2.829 20 0 GFADRO C[C@@](O)(C[NH2+]C[C@@H](CO)Cc1ccc(F)c(Br)c1)C(F)(F)F ZINC000566232384 564317864 /nfs/dbraw/zinc/31/78/64/564317864.db2.gz NSFIZIIQXFLHDT-GXFFZTMASA-N 1 0 388.199 2.642 20 0 GFADRO OC[C@H](C[NH2+]C[C@H](O)COc1c(Cl)cccc1Cl)Cc1cccnc1 ZINC000566231409 564317872 /nfs/dbraw/zinc/31/78/72/564317872.db2.gz PWEPDHREKCZDEI-GJZGRUSLSA-N 1 0 385.291 2.569 20 0 GFADRO CO[C@@]1(C)C[C@H]([NH2+]Cc2nnnn2-c2ccccc2Br)C1(C)C ZINC000451481956 564317924 /nfs/dbraw/zinc/31/79/24/564317924.db2.gz BWAVHSNCAHHYBB-BBRMVZONSA-N 1 0 380.290 2.718 20 0 GFADRO COc1cc(OC)c(NC(=O)c2csc(CC[NH3+])n2)cc1Br ZINC000566250325 564318753 /nfs/dbraw/zinc/31/87/53/564318753.db2.gz QHMAQRHJJFRQSD-UHFFFAOYSA-N 1 0 386.271 2.676 20 0 GFADRO O=C(NCCCC[N@H+]1CCC[C@H]1CO)[C@H]1CCc2cc(Br)ccc21 ZINC000566284098 564320530 /nfs/dbraw/zinc/32/05/30/564320530.db2.gz RKRWYWZDQCWHCS-WMZOPIPTSA-N 1 0 395.341 2.832 20 0 GFADRO O=S(=O)(N[C@H]1CC[N@@H+](C2CCCC2)C1)c1ccc(Br)cc1F ZINC000475804159 564320999 /nfs/dbraw/zinc/32/09/99/564320999.db2.gz GLKUOKISOMMURY-LBPRGKRZSA-N 1 0 391.306 2.883 20 0 GFADRO CC[N@H+](CCNS(=O)(=O)c1c(Cl)cc(Cl)cc1C(=O)OC)C(C)C ZINC000509980276 564321330 /nfs/dbraw/zinc/32/13/30/564321330.db2.gz AIWJNQJEHQYPKW-UHFFFAOYSA-N 1 0 397.324 2.789 20 0 GFADRO Cc1cc(S(=O)(=O)N(C)CCC[NH+]2CCCC2)ccc1Br ZINC000542692041 564321728 /nfs/dbraw/zinc/32/17/28/564321728.db2.gz XKSNLENHKKSAPU-UHFFFAOYSA-N 1 0 375.332 2.864 20 0 GFADRO CC(C)[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)N(C)[C@@H]1CC[N@H+](C)C[C@H]1C ZINC000510010702 564322018 /nfs/dbraw/zinc/32/20/18/564322018.db2.gz QZAJUHMLXQXATH-XJKCOSOUSA-N 1 0 385.961 2.955 20 0 GFADRO CO[C@@H]1CC[N@H+](CC(=O)N(C)CCOc2ccc(Br)cc2)C[C@H]1C ZINC000451550658 564324529 /nfs/dbraw/zinc/32/45/29/564324529.db2.gz VKHBWFORRPMFTL-RHSMWYFYSA-N 1 0 399.329 2.643 20 0 GFADRO COCCC[N@H+](C)CCNC(=O)c1cc(F)c(Br)cc1Cl ZINC000476146694 564328652 /nfs/dbraw/zinc/32/86/52/564328652.db2.gz JWAVSGHBGPIIIW-UHFFFAOYSA-N 1 0 381.673 2.940 20 0 GFADRO CC(C)[N@H+](C)C[C@@H](O)CSc1nnc(COc2ccccc2Cl)n1C ZINC000566490550 564329750 /nfs/dbraw/zinc/32/97/50/564329750.db2.gz JJSWQBPZZDXABI-CYBMUJFWSA-N 1 0 384.933 2.841 20 0 GFADRO C[C@@H]1CCN(C(=O)Nc2ccc(I)cc2F)C[C@H]1C[NH3+] ZINC000566504765 564330896 /nfs/dbraw/zinc/33/08/96/564330896.db2.gz ONUSQQVOLRHJMB-NXEZZACHSA-N 1 0 391.228 2.879 20 0 GFADRO CC[C@H](C)[NH2+][C@@H](CNS(=O)(=O)c1cc(C(=O)OC)cs1)c1ccco1 ZINC000510361502 564331157 /nfs/dbraw/zinc/33/11/57/564331157.db2.gz CNCWGDQAEHVLDG-AAEUAGOBSA-N 1 0 386.495 2.535 20 0 GFADRO Cc1nc2ccc(Br)cn2c1C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000476303817 564334005 /nfs/dbraw/zinc/33/40/05/564334005.db2.gz GIUUWCIDZLZQCJ-QMTHXVAHSA-N 1 0 377.286 2.618 20 0 GFADRO CCO[C@@H](CC[NH+](C)C)CNC(=O)c1cn(C)nc1-c1ccc(Cl)s1 ZINC000476310975 564334319 /nfs/dbraw/zinc/33/43/19/564334319.db2.gz WDMXFAVXZNJCGG-LBPRGKRZSA-N 1 0 384.933 2.889 20 0 GFADRO O=C(c1ncccc1Br)N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000476338447 564336266 /nfs/dbraw/zinc/33/62/66/564336266.db2.gz ZMPUZNAXRNAREA-CQSZACIVSA-N 1 0 382.302 2.561 20 0 GFADRO Cc1[nH]c(=O)c(Br)cc1C(=O)NCc1ccc(C[NH+](C)C)c(F)c1 ZINC000566635572 564336582 /nfs/dbraw/zinc/33/65/82/564336582.db2.gz HYOBBXLJLYURAB-UHFFFAOYSA-N 1 0 396.260 2.989 20 0 GFADRO CN1CCN(C(=O)CC[NH2+][C@H]2CCCc3c(Br)cccc32)CC1 ZINC000543081844 564337603 /nfs/dbraw/zinc/33/76/03/564337603.db2.gz OBLVWNMOBLCEHL-KRWDZBQOSA-N 1 0 380.330 2.580 20 0 GFADRO C[C@H](CCc1ccc(C(F)(F)F)cc1)[NH2+]CC1(O)CCS(=O)(=O)CC1 ZINC000510698151 564344025 /nfs/dbraw/zinc/34/40/25/564344025.db2.gz DZNZVTTUWYNLJL-CYBMUJFWSA-N 1 0 379.444 2.556 20 0 GFADRO CS(=O)(=O)N[C@@H]1CCCC[C@@H]1[NH2+]CCOc1ccc(C(F)(F)F)cc1 ZINC000510776677 564346582 /nfs/dbraw/zinc/34/65/82/564346582.db2.gz IFQZTJMDVYEDCU-LSDHHAIUSA-N 1 0 380.432 2.534 20 0 GFADRO CS(=O)(=O)N[C@H]1CCCC[C@@H]1[NH2+]CCOc1cc(Cl)ccc1Cl ZINC000510768569 564346783 /nfs/dbraw/zinc/34/67/83/564346783.db2.gz UMYFBNFRXPDWJW-KBPBESRZSA-N 1 0 381.325 2.822 20 0 GFADRO C[C@@H](C[NH+]1CCCCCC1)NS(=O)(=O)c1ccccc1Br ZINC000476586620 564346807 /nfs/dbraw/zinc/34/68/07/564346807.db2.gz DSADODMODHLZFM-ZDUSSCGKSA-N 1 0 375.332 2.992 20 0 GFADRO CS(=O)(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccccc1OCC(F)(F)F ZINC000510762106 564346942 /nfs/dbraw/zinc/34/69/42/564346942.db2.gz HROHJPFBGLDLLW-ZIAGYGMSSA-N 1 0 380.432 2.578 20 0 GFADRO CCOC(=O)[C@@H]1CCC[C@@H]1[NH2+]CC(=O)NCCc1cccc(Cl)c1Cl ZINC000451770534 564349402 /nfs/dbraw/zinc/34/94/02/564349402.db2.gz DFDVOXLFMFKHRN-HIFRSBDPSA-N 1 0 387.307 2.974 20 0 GFADRO CC(C)NC(=O)CC[N@H+](CCn1ccnc1)Cc1ccc(Br)o1 ZINC000510889839 564349755 /nfs/dbraw/zinc/34/97/55/564349755.db2.gz ZYDQROKXJAPSLQ-UHFFFAOYSA-N 1 0 383.290 2.656 20 0 GFADRO O=C(CC(F)(F)F)NC[C@@H]1CCC[N@H+](CC[S@](=O)c2ccccc2)C1 ZINC000510915653 564349782 /nfs/dbraw/zinc/34/97/82/564349782.db2.gz JMXMGKVJMQNHSD-SXBQZSJRSA-N 1 0 376.444 2.575 20 0 GFADRO CCC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1ccc(F)cc1Br ZINC000511027473 564353939 /nfs/dbraw/zinc/35/39/39/564353939.db2.gz JQRMRVNNOYYKIJ-LBPRGKRZSA-N 1 0 379.295 2.741 20 0 GFADRO CCO[C@H]1C[C@H]([NH2+]CCNS(=O)(=O)c2ccc(F)cc2Cl)C12CCC2 ZINC000511038514 564355196 /nfs/dbraw/zinc/35/51/96/564355196.db2.gz RKUZFMYKTVRLTF-HOTGVXAUSA-N 1 0 390.908 2.695 20 0 GFADRO CCCOc1c(Br)cc(C[NH2+][C@@]2(CO)CCOC2)cc1OCC ZINC000543618422 564356124 /nfs/dbraw/zinc/35/61/24/564356124.db2.gz FSYAOUUQMAGVIS-QGZVFWFLSA-N 1 0 388.302 2.878 20 0 GFADRO COc1ccc(Cl)cc1NCC(=O)N1C[C@H](SC)[C@@H]([NH+]2CCCC2)C1 ZINC000543701364 564360910 /nfs/dbraw/zinc/36/09/10/564360910.db2.gz PQKKOGPATKZTPR-RDJZCZTQSA-N 1 0 383.945 2.799 20 0 GFADRO COc1ccc(NC(=O)CC[N@@H+]2CC[C@@H]([C@@H](O)C(F)(F)F)C2)cc1Cl ZINC000451887724 564362361 /nfs/dbraw/zinc/36/23/61/564362361.db2.gz KCYHQSVZUQCWSC-MEBBXXQBSA-N 1 0 380.794 2.922 20 0 GFADRO C[C@H]1C[C@H](N2CCOCC2)CN1S(=O)(=O)Cc1c(Cl)cccc1Cl ZINC000511226263 564363201 /nfs/dbraw/zinc/36/32/01/564363201.db2.gz YAZSXCFVZZCKDM-STQMWFEESA-N 1 0 393.336 2.618 20 0 GFADRO C[NH+](C)C[C@H]1CCCN1C(=O)c1ccc(F)c(I)c1 ZINC000477059389 564363839 /nfs/dbraw/zinc/36/38/39/564363839.db2.gz BJUBPLJQUKDIJN-LLVKDONJSA-N 1 0 376.213 2.597 20 0 GFADRO C[C@@](CO)([NH2+]C[C@@H](O)COCC(F)(F)F)c1cc(Cl)cc(Cl)c1 ZINC000451903316 564364341 /nfs/dbraw/zinc/36/43/41/564364341.db2.gz DUZYHCDUSJXQEJ-OLZOCXBDSA-N 1 0 376.202 2.730 20 0 GFADRO CC[NH+]1CCC(N(C)C(=O)c2ccc(F)c(I)c2)CC1 ZINC000477092441 564364463 /nfs/dbraw/zinc/36/44/63/564364463.db2.gz UCMHXBOFBTYWAL-UHFFFAOYSA-N 1 0 390.240 2.987 20 0 GFADRO OC[C@H]([NH2+]C[C@H](O)COc1ccc(Br)cc1)c1cccc(F)c1 ZINC000543810154 564365234 /nfs/dbraw/zinc/36/52/34/564365234.db2.gz MIIMWVJEVQIBLC-RDJZCZTQSA-N 1 0 384.245 2.651 20 0 GFADRO CS[C@H]1CN(S(=O)(=O)Cc2ccc(F)c(Cl)c2)C[C@@H]1[NH+]1CCCC1 ZINC000477138908 564366504 /nfs/dbraw/zinc/36/65/04/564366504.db2.gz PXHVZYFNPKCGNM-HOTGVXAUSA-N 1 0 392.949 2.821 20 0 GFADRO C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1cnc(N)cn1 ZINC000567348774 564367961 /nfs/dbraw/zinc/36/79/61/564367961.db2.gz NJAIDOYTENEIIZ-UHFFFAOYSA-N 1 0 382.295 2.960 20 0 GFADRO O=C(NCC[C@H]1CCC[NH2+]C1)N[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000567362582 564369229 /nfs/dbraw/zinc/36/92/29/564369229.db2.gz JJUXPMGYYIQDKA-ZBFHGGJFSA-N 1 0 395.345 2.717 20 0 GFADRO C[NH+](C)CC1CCN(C(=O)c2ccc(F)c(I)c2)CC1 ZINC000477213858 564369749 /nfs/dbraw/zinc/36/97/49/564369749.db2.gz OJNDESNIFRYBFR-UHFFFAOYSA-N 1 0 390.240 2.844 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H](CNC(=O)c2cc(=O)c3cc(Br)ccc3[nH]2)C1 ZINC000567387690 564370287 /nfs/dbraw/zinc/37/02/87/564370287.db2.gz CVDUDNZDBFPOPT-ZYHUDNBSSA-N 1 0 378.270 2.538 20 0 GFADRO Cc1cc(Br)cc(Cl)c1C(=O)NCC1(O)CC[NH+](C)CC1 ZINC000477362915 564373956 /nfs/dbraw/zinc/37/39/56/564373956.db2.gz CYQDNZBIBNDUCL-UHFFFAOYSA-N 1 0 375.694 2.597 20 0 GFADRO NC(=O)[C@@H](Cc1ccc(F)cc1)[NH2+]CCOc1cccc(Br)c1 ZINC000544095092 564374020 /nfs/dbraw/zinc/37/40/20/564374020.db2.gz MLZPFPVNSAHEFS-MRXNPFEDSA-N 1 0 381.245 2.653 20 0 GFADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CSCc2nc(C3CC3)cs2)C1 ZINC000544085762 564374076 /nfs/dbraw/zinc/37/40/76/564374076.db2.gz YFLXVADPRZEHKT-OAHLLOKOSA-N 1 0 383.583 2.727 20 0 GFADRO COc1ccc(CNC(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1Br ZINC000511561173 564375366 /nfs/dbraw/zinc/37/53/66/564375366.db2.gz OXDKRJLAKPEYEJ-GJZGRUSLSA-N 1 0 382.302 2.884 20 0 GFADRO C[C@@H]1C[C@H](C)CN(C(=O)C[NH2+][C@@](C)(CO)c2ccc(Br)cc2)C1 ZINC000511547724 564375705 /nfs/dbraw/zinc/37/57/05/564375705.db2.gz VKCQDEQRSAIUSQ-IYOUNJFTSA-N 1 0 383.330 2.751 20 0 GFADRO C[C@@](CO)([NH2+]CC(=O)NCc1ccccc1F)c1ccc(Br)cc1 ZINC000511606595 564377452 /nfs/dbraw/zinc/37/74/52/564377452.db2.gz WSMIWPVSAUZQKR-SFHVURJKSA-N 1 0 395.272 2.702 20 0 GFADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)Nc1cc(F)c(Br)cc1F ZINC000511745114 564381088 /nfs/dbraw/zinc/38/10/88/564381088.db2.gz RIKCZMUIMUIPHD-VIFPVBQESA-N 1 0 392.244 2.512 20 0 GFADRO C[C@H](CC[NH+](C)C)NC(=O)[C@@H](c1cc(Cl)cc(Cl)c1)N1CCOCC1 ZINC000511785758 564382366 /nfs/dbraw/zinc/38/23/66/564382366.db2.gz MTJIKULBMSVHMV-CXAGYDPISA-N 1 0 388.339 2.823 20 0 GFADRO CC(C)[N@H+](C)CCNC(=O)[C@H](c1cc(Cl)cc(Cl)c1)N1CCOCC1 ZINC000511834453 564382927 /nfs/dbraw/zinc/38/29/27/564382927.db2.gz KMIJRKGPVKXOTE-KRWDZBQOSA-N 1 0 388.339 2.823 20 0 GFADRO C[C@H](COCC(F)(F)F)[NH2+]C[C@@H](O)COc1ccc(Br)cc1 ZINC000567725971 564385482 /nfs/dbraw/zinc/38/54/82/564385482.db2.gz RXAMXSJJVVCYHY-ZYHUDNBSSA-N 1 0 386.208 2.746 20 0 GFADRO COC(=O)[C@H](c1cc(Cl)cc(Cl)c1)N(C)C1CC[NH+](CCO)CC1 ZINC000477758793 564386464 /nfs/dbraw/zinc/38/64/64/564386464.db2.gz IHUJWQRDQIEAFW-INIZCTEOSA-N 1 0 375.296 2.596 20 0 GFADRO C[C@@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH2+][C@H]1CCC(=O)NC1 ZINC000512011988 564389268 /nfs/dbraw/zinc/38/92/68/564389268.db2.gz XLBCFTCTHVUASO-ONGXEEELSA-N 1 0 377.794 2.944 20 0 GFADRO CC[NH+](CC)CCOCCNC(=O)c1cc(OC)c(Br)s1 ZINC000544586164 564389544 /nfs/dbraw/zinc/38/95/44/564389544.db2.gz MGOZSFNBSZKATP-UHFFFAOYSA-N 1 0 379.320 2.607 20 0 GFADRO CC[N@@H+]1CCC[C@H](CNC(=O)c2cc(Br)c3c(c2)OCCO3)C1 ZINC000512103854 564391235 /nfs/dbraw/zinc/39/12/35/564391235.db2.gz DDWLULSXFGFDEV-GFCCVEGCSA-N 1 0 383.286 2.682 20 0 GFADRO C[C@@H](C[NH2+][C@H](Cc1ccccc1)C(N)=O)Oc1ccc(Br)cc1 ZINC000544640410 564391290 /nfs/dbraw/zinc/39/12/90/564391290.db2.gz XQTINPHBKFSLFV-SUMWQHHRSA-N 1 0 377.282 2.903 20 0 GFADRO C[C@H](C(=O)N1C[C@@H](C[NH3+])C2(C1)CCOCC2)c1ccc(Br)s1 ZINC000567846725 564392052 /nfs/dbraw/zinc/39/20/52/564392052.db2.gz OAHYNGCCSLPBLN-NWDGAFQWSA-N 1 0 387.343 2.828 20 0 GFADRO C[N@H+](CC(=O)N[C@@H]1C[C@H]1c1ccc(Br)s1)[C@H]1CCSC1 ZINC000477996716 564393193 /nfs/dbraw/zinc/39/31/93/564393193.db2.gz VYTLRHMEYSQZDV-HBNTYKKESA-N 1 0 375.357 2.920 20 0 GFADRO C[C@@H]1CN(C(=O)NCCOc2ccc3cc(Br)ccc3c2)C[C@H]1[NH3+] ZINC000567871269 564393366 /nfs/dbraw/zinc/39/33/66/564393366.db2.gz FTJODFFBOAFZMY-SJKOYZFVSA-N 1 0 392.297 2.970 20 0 GFADRO FC(F)(F)Oc1ccc(CN2CC[C@@H]3OCC[NH2+][C@H]3C2)cc1Br ZINC000567871503 564393683 /nfs/dbraw/zinc/39/36/83/564393683.db2.gz HRHYDLGUSAXHGC-JSGCOSHPSA-N 1 0 395.219 2.910 20 0 GFADRO C[C@@H](CNCc1ncc(I)s1)[N@@H+]1CCC[C@H](C)C1 ZINC000512148378 564393827 /nfs/dbraw/zinc/39/38/27/564393827.db2.gz NXZJETSJTHXQMI-QWRGUYRKSA-N 1 0 379.311 2.958 20 0 GFADRO C[C@H]([NH3+])c1ccc(CNC(=O)C(=O)N2CCc3sc(Cl)cc3C2)cc1 ZINC000567880867 564395045 /nfs/dbraw/zinc/39/50/45/564395045.db2.gz OPMAHFMFGVOLTM-NSHDSACASA-N 1 0 377.897 2.622 20 0 GFADRO C[C@H]1[C@@H](NC(=O)c2c(Br)cnn2C)CC[N@@H+]1Cc1ccccc1 ZINC000452130916 564395085 /nfs/dbraw/zinc/39/50/85/564395085.db2.gz YUGMQZWWSYSSDQ-WFASDCNBSA-N 1 0 377.286 2.575 20 0 GFADRO O=C(CN1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)Nc1ccc(Br)cc1F ZINC000567894677 564395664 /nfs/dbraw/zinc/39/56/64/564395664.db2.gz NLQWBBWUJOYTMI-QWHCGFSZSA-N 1 0 384.293 2.848 20 0 GFADRO CSC1(CNC(=O)Cc2sccc2Br)CC[NH+](C)CC1 ZINC000452150965 564397169 /nfs/dbraw/zinc/39/71/69/564397169.db2.gz JVIFNTKGTZGSJC-UHFFFAOYSA-N 1 0 377.373 2.997 20 0 GFADRO O=C(NCCCC[NH+]1CCOCC1)[C@@H]1CCc2cc(Br)ccc21 ZINC000567943713 564397790 /nfs/dbraw/zinc/39/77/90/564397790.db2.gz UIOYNFQAGNXAQR-QGZVFWFLSA-N 1 0 381.314 2.708 20 0 GFADRO COc1ccc(Br)cc1CC(=O)N1CC[N@@H+](C2CC2)C[C@H](C)C1 ZINC000452175902 564397917 /nfs/dbraw/zinc/39/79/17/564397917.db2.gz URLLQYGDTFXCJY-ZDUSSCGKSA-N 1 0 381.314 2.943 20 0 GFADRO O=C(N[C@H](CO)C[NH+]1CCCCC1)c1cc2cc(Br)ccc2[nH]1 ZINC000512375263 564399855 /nfs/dbraw/zinc/39/98/55/564399855.db2.gz OWKZPGORIXEEII-AWEZNQCLSA-N 1 0 380.286 2.507 20 0 GFADRO C[C@@H](C[NH+](C)C)NC(=O)N1CCO[C@@H](c2ccc(Br)cc2)[C@H]1C ZINC000512426245 564401751 /nfs/dbraw/zinc/40/17/51/564401751.db2.gz IHWQBUSBKULYFI-WOSRLPQWSA-N 1 0 384.318 2.871 20 0 GFADRO C[C@@H](C[NH+](C)C)NC(=O)N1CCC[C@@H](Nc2cccc(Br)c2)C1 ZINC000512422805 564401857 /nfs/dbraw/zinc/40/18/57/564401857.db2.gz XMBBFMSGKKHEHY-XJKSGUPXSA-N 1 0 383.334 2.985 20 0 GFADRO CC(=O)Nc1ccccc1C[NH2+]C[C@@H](O)COc1cccc(Br)c1 ZINC000568078125 564404058 /nfs/dbraw/zinc/40/40/58/564404058.db2.gz GYRDJGBUQAOKMR-MRXNPFEDSA-N 1 0 393.281 2.937 20 0 GFADRO CCOC(=O)COc1c(Br)cc(C)cc1C[NH2+]CCc1cn[nH]c1 ZINC000568149002 564406386 /nfs/dbraw/zinc/40/63/86/564406386.db2.gz WGHNOGQWNMCETJ-UHFFFAOYSA-N 1 0 396.285 2.755 20 0 GFADRO CSc1ccc(CNc2cccc(S(=O)(=O)NCC[NH+](C)C)c2)cc1 ZINC000512614040 564406538 /nfs/dbraw/zinc/40/65/38/564406538.db2.gz OBLKLPJDLJUPJX-UHFFFAOYSA-N 1 0 379.551 2.861 20 0 GFADRO O=C(NC[C@@H]1CCC[N@H+]1CCCO)c1cc2ccc(Br)cc2[nH]1 ZINC000452348272 564406968 /nfs/dbraw/zinc/40/69/68/564406968.db2.gz KUADLOREJVKGRL-AWEZNQCLSA-N 1 0 380.286 2.507 20 0 GFADRO Cc1cc(Br)cc(C)c1S(=O)(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000512708617 564408898 /nfs/dbraw/zinc/40/88/98/564408898.db2.gz UWDZMOXKGKHYKV-HUUCEWRRSA-N 1 0 387.343 2.971 20 0 GFADRO C[C@@H]1CC[N@H+](CC(=O)NCCCOc2ncc(C(F)(F)F)cc2Cl)C1 ZINC000568203662 564408892 /nfs/dbraw/zinc/40/88/92/564408892.db2.gz QEJGWNBKPZSBPJ-LLVKDONJSA-N 1 0 379.810 2.981 20 0 GFADRO CC(C)(C(=O)NC[C@H]1CCCC[N@@H+]1CCO)c1ccccc1Br ZINC000452362452 564409117 /nfs/dbraw/zinc/40/91/17/564409117.db2.gz BJGBIKJIXVEBQR-CQSZACIVSA-N 1 0 383.330 2.690 20 0 GFADRO COc1cc(Br)ccc1[C@H](C)NC(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000568232864 564410328 /nfs/dbraw/zinc/41/03/28/564410328.db2.gz ONGYFYVQOFGATI-XQQFMLRXSA-N 1 0 382.302 2.770 20 0 GFADRO O=C(NC[C@H]1CCC[N@H+]1CCCO)c1cccc(Br)c1Cl ZINC000452375406 564410378 /nfs/dbraw/zinc/41/03/78/564410378.db2.gz XVWIBENDDORJON-LLVKDONJSA-N 1 0 375.694 2.679 20 0 GFADRO O=C(N[C@@H]1CCC[N@@H+](CCCO)C1)c1cc2c(cccc2Br)[nH]1 ZINC000452377977 564410561 /nfs/dbraw/zinc/41/05/61/564410561.db2.gz SZYDTJYFUIUNOM-GFCCVEGCSA-N 1 0 380.286 2.507 20 0 GFADRO CC[C@H](Cc1cccc(Br)c1)C(=O)NC[C@@H]1CCCC[N@@H+]1CCO ZINC000452389860 564412551 /nfs/dbraw/zinc/41/25/51/564412551.db2.gz NAIOODYZSGLBQM-AEFFLSMTSA-N 1 0 397.357 2.981 20 0 GFADRO CS(=O)(=O)N[C@H]1CCCC[C@H]1C[NH2+]Cc1ccc(F)cc1Br ZINC000512849518 564413562 /nfs/dbraw/zinc/41/35/62/564413562.db2.gz FQLISHQTVIIXBZ-WFASDCNBSA-N 1 0 393.322 2.786 20 0 GFADRO Cc1cc(Br)ccc1C[NH2+]C[C@@H]1CCCC[C@H]1NS(C)(=O)=O ZINC000512848962 564413850 /nfs/dbraw/zinc/41/38/50/564413850.db2.gz AQCQECBKOMTAOF-GOEBONIOSA-N 1 0 389.359 2.955 20 0 GFADRO CS(=O)(=O)N[C@H]1CCCC[C@H]1C[NH2+]Cc1ccccc1Br ZINC000512869882 564414693 /nfs/dbraw/zinc/41/46/93/564414693.db2.gz YWDZDUVVQBLEMV-ZFWWWQNUSA-N 1 0 375.332 2.647 20 0 GFADRO CS(=O)(=O)N[C@@H]1CCCC[C@H]1C[NH2+]Cc1ccccc1OC(F)(F)F ZINC000512859708 564414954 /nfs/dbraw/zinc/41/49/54/564414954.db2.gz DKVPHRRWFVJITQ-GXTWGEPZSA-N 1 0 380.432 2.783 20 0 GFADRO COc1cc(Cl)c(C[NH2+]C[C@@H]2CCCCN2S(C)(=O)=O)cc1Cl ZINC000512992634 564417016 /nfs/dbraw/zinc/41/70/16/564417016.db2.gz MRJAJXQNLJMCAP-LBPRGKRZSA-N 1 0 381.325 2.906 20 0 GFADRO CS(=O)(=O)N1CCCC[C@@H]1C[NH2+]Cc1cc(Cl)ccc1OC(F)F ZINC000513031377 564418623 /nfs/dbraw/zinc/41/86/23/564418623.db2.gz FCCLKAWMBFCPAK-CYBMUJFWSA-N 1 0 382.860 2.845 20 0 GFADRO CO[C@H]1C[C@@H](C(=O)N2CCC(c3nc(C(F)(F)F)cs3)CC2)[N@H+](C)C1 ZINC000452531511 564418921 /nfs/dbraw/zinc/41/89/21/564418921.db2.gz MMFYFEFELZCSRK-RYUDHWBXSA-N 1 0 377.432 2.587 20 0 GFADRO O=C(Cc1cscc1Br)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000513121734 564420718 /nfs/dbraw/zinc/42/07/18/564420718.db2.gz IDFWPQPQHOMBIO-CYBMUJFWSA-N 1 0 387.343 2.624 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)C(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000479012021 564421694 /nfs/dbraw/zinc/42/16/94/564421694.db2.gz IUGZNRIGJLDBON-NSHDSACASA-N 1 0 382.302 2.549 20 0 GFADRO COC(=O)C[C@](C)([NH2+]CCC(=O)NC(C)C)c1ccc(Br)cc1 ZINC000513129285 564421802 /nfs/dbraw/zinc/42/18/02/564421802.db2.gz XAUJXBWRWAOUBQ-KRWDZBQOSA-N 1 0 385.302 2.732 20 0 GFADRO CCCN(CC[NH+]1CCCCC1)CC(=O)Nc1ccc(Br)cn1 ZINC000513154972 564423129 /nfs/dbraw/zinc/42/31/29/564423129.db2.gz SNDIEDSKURDHSM-UHFFFAOYSA-N 1 0 383.334 2.981 20 0 GFADRO O=C(NCC[NH2+][C@@H](c1ccc(Br)cc1F)C1CC1)c1cnccn1 ZINC000479055863 564424375 /nfs/dbraw/zinc/42/43/75/564424375.db2.gz HQYGDRYTVHBFIV-MRXNPFEDSA-N 1 0 393.260 2.849 20 0 GFADRO C[C@@H](NC(=O)c1ccc(-n2cc(Br)cn2)cc1)[C@H]1CCC[NH2+]C1 ZINC000568619983 564426699 /nfs/dbraw/zinc/42/66/99/564426699.db2.gz TUXRNQPPGBKRLL-OCCSQVGLSA-N 1 0 377.286 2.753 20 0 GFADRO O=C(CCOc1ccc(Cl)cc1Cl)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000452794366 564432483 /nfs/dbraw/zinc/43/24/83/564432483.db2.gz GTSOINUWKFJSMR-AWEZNQCLSA-N 1 0 375.296 2.725 20 0 GFADRO O=C(COc1c(Cl)cc(Cl)cc1Cl)NC[C@@H]1CCCC[N@H+]1CCO ZINC000452802962 564432666 /nfs/dbraw/zinc/43/26/66/564432666.db2.gz WQCVSCQAUCIFPZ-LBPRGKRZSA-N 1 0 395.714 2.989 20 0 GFADRO Cn1nc2c(c1C[NH2+]C[C@H](O)COc1cccc(Br)c1)CCCC2 ZINC000568752809 564433576 /nfs/dbraw/zinc/43/35/76/564433576.db2.gz SOWMSHOVDJHJGL-AWEZNQCLSA-N 1 0 394.313 2.591 20 0 GFADRO COC(=O)CN(C)C(=O)CC[N@H+]1CC=C(c2cccc(Br)c2)CC1 ZINC000545881594 564435446 /nfs/dbraw/zinc/43/54/46/564435446.db2.gz JRICZVCENFPUNG-UHFFFAOYSA-N 1 0 395.297 2.560 20 0 GFADRO C[NH+](C)CC1(C(=O)NCc2nc3cc(Br)cnc3[nH]2)CCCCC1 ZINC000568827835 564436258 /nfs/dbraw/zinc/43/62/58/564436258.db2.gz NTNDSBKELGAUCG-UHFFFAOYSA-N 1 0 394.317 2.849 20 0 GFADRO [NH3+]C[C@@H]1CCCC[C@]12NC(=O)N(CCOc1cc(Cl)cc(Cl)c1)C2=O ZINC000568863199 564437990 /nfs/dbraw/zinc/43/79/90/564437990.db2.gz KEPQIWZIYKKVBH-GTNSWQLSSA-N 1 0 386.279 2.812 20 0 GFADRO CSc1nnc(CNC(=O)[C@@H]2C[N@@H+](C(C)(C)C)C[C@H]2C(F)(F)F)s1 ZINC000568860044 564438050 /nfs/dbraw/zinc/43/80/50/564438050.db2.gz MZKCUWPRNDQVDB-RKDXNWHRSA-N 1 0 382.477 2.785 20 0 GFADRO CN1CCN([C@@H](C[NH2+]Cc2cncc(Br)c2)c2cccs2)CC1 ZINC000545928178 564438692 /nfs/dbraw/zinc/43/86/92/564438692.db2.gz SWJMRKZNRHKLNJ-INIZCTEOSA-N 1 0 395.370 2.984 20 0 GFADRO [NH3+]CC[C@@H]1CCCN(C(=O)c2ncc(Br)cc2Br)C1 ZINC000568864179 564439255 /nfs/dbraw/zinc/43/92/55/564439255.db2.gz BCJDLGNNYRZDSY-VIFPVBQESA-N 1 0 391.107 2.808 20 0 GFADRO CCN1C[C@@H]([NH2+][C@@H](C)c2ccc(F)c(I)c2)CC1=O ZINC000453366522 564455054 /nfs/dbraw/zinc/45/50/54/564455054.db2.gz RJEXXFCBIVGMPQ-ONGXEEELSA-N 1 0 376.213 2.702 20 0 GFADRO C[N@H+](C[C@H](O)COc1ccc(Br)cc1)[C@@H](CO)c1ccccc1 ZINC000479616309 564445599 /nfs/dbraw/zinc/44/55/99/564445599.db2.gz JZYUBEAVVLPTFE-WMZOPIPTSA-N 1 0 380.282 2.854 20 0 GFADRO C[C@@H]([NH2+][C@H]1CCCCNC1=O)c1ccc(F)c(I)c1 ZINC000453073534 564445956 /nfs/dbraw/zinc/44/59/56/564445956.db2.gz GVICETOBJFYXOP-RNCFNFMXSA-N 1 0 376.213 2.750 20 0 GFADRO C[C@H](Cc1cnccn1)[NH2+]CCCNC(=O)c1cccc(Br)c1 ZINC000453100796 564446867 /nfs/dbraw/zinc/44/68/67/564446867.db2.gz WDCVLZVGJRWPAR-CYBMUJFWSA-N 1 0 377.286 2.580 20 0 GFADRO C[C@H]([NH2+][C@H]1CCC(=O)N[C@H]1C)c1ccc(F)c(I)c1 ZINC000453208419 564449733 /nfs/dbraw/zinc/44/97/33/564449733.db2.gz HEUIDHDSAFNWBO-RVBZMBCESA-N 1 0 376.213 2.748 20 0 GFADRO CC[N@@H+]1C[C@H](C)N(C(=O)c2ccc(I)c(O)c2)C[C@@H]1C ZINC000546203628 564450018 /nfs/dbraw/zinc/45/00/18/564450018.db2.gz IBBXALWIQMPFHV-QWRGUYRKSA-N 1 0 388.249 2.552 20 0 GFADRO CO[C@@H]1COCC[C@H]1C[NH2+][C@@H](C)c1ccc(I)cc1 ZINC000453288305 564451805 /nfs/dbraw/zinc/45/18/05/564451805.db2.gz JLEOOYRASREYEX-CORIIIEPSA-N 1 0 375.250 2.993 20 0 GFADRO O=S1(=O)CC[C@](O)(C[NH2+][C@@H](Cc2ccc(Cl)cc2)c2ccccc2)C1 ZINC000453278156 564452272 /nfs/dbraw/zinc/45/22/72/564452272.db2.gz PCNIGRCKWHUEEN-OALUTQOASA-N 1 0 379.909 2.763 20 0 GFADRO CO[C@@H]1COCC[C@@H]1C[NH2+][C@H](C)c1ccccc1I ZINC000453297871 564452853 /nfs/dbraw/zinc/45/28/53/564452853.db2.gz SICIZONWBWFUCS-LALPHHSUSA-N 1 0 375.250 2.993 20 0 GFADRO C[C@H](Cc1cnccn1)[NH2+]C[C@H](CO)Cc1cc(Br)ccc1F ZINC000453340361 564453720 /nfs/dbraw/zinc/45/37/20/564453720.db2.gz BQWQPEXXRYOZMG-CHWSQXEVSA-N 1 0 382.277 2.750 20 0 GFADRO COc1ccc(C[C@@H](CO)C[NH2+][C@@H](C)c2cnn(C)c2)cc1Br ZINC000453338861 564453748 /nfs/dbraw/zinc/45/37/48/564453748.db2.gz AZMUBDYZAOPBEK-GXTWGEPZSA-N 1 0 382.302 2.693 20 0 GFADRO O=C(CC[NH2+]Cc1cc(Br)c2c(c1)OCCO2)Nc1cccnc1 ZINC000569214253 564453690 /nfs/dbraw/zinc/45/36/90/564453690.db2.gz ORLUPKJAOBBPJH-UHFFFAOYSA-N 1 0 392.253 2.734 20 0 GFADRO Cc1csc(C[NH2+][C@H](C)c2cccc(S(=O)(=O)N3CCOCC3)c2)c1 ZINC000453329828 564454055 /nfs/dbraw/zinc/45/40/55/564454055.db2.gz YFKZGKAXMAGIMW-OAHLLOKOSA-N 1 0 380.535 2.928 20 0 GFADRO C[C@H]([NH2+]CCC[C@H]1CCOC1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000453337265 564454107 /nfs/dbraw/zinc/45/41/07/564454107.db2.gz AUWUPUNMOGMOPP-RYUDHWBXSA-N 1 0 391.331 2.564 20 0 GFADRO CC(C)C[NH+]1CCC(NC(=O)N[C@H](C)c2ncc(Br)cn2)CC1 ZINC000514705241 564454731 /nfs/dbraw/zinc/45/47/31/564454731.db2.gz CSSAOOPVQVAVDY-GFCCVEGCSA-N 1 0 384.322 2.720 20 0 GFADRO Cc1c(Br)cccc1C[C@H](CO)C[NH2+][C@H](C)Cc1cnccn1 ZINC000453371011 564454895 /nfs/dbraw/zinc/45/48/95/564454895.db2.gz NPERPKHRKHOBKV-HIFRSBDPSA-N 1 0 378.314 2.919 20 0 GFADRO COc1ccc(C[C@@H](CO)C[NH2+][C@H]2CCn3ccnc32)cc1Br ZINC000453360221 564455130 /nfs/dbraw/zinc/45/51/30/564455130.db2.gz JSGVTLKAOIDLMO-HIFRSBDPSA-N 1 0 380.286 2.540 20 0 GFADRO C[C@@H](Cc1cnn(C)c1)[NH2+][C@@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000453357200 564455196 /nfs/dbraw/zinc/45/51/96/564455196.db2.gz RXAUZBSNQZJMPH-UWVGGRQHSA-N 1 0 391.324 2.656 20 0 GFADRO CC[C@H](O)[C@H](CC)[NH2+][C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000453379673 564455732 /nfs/dbraw/zinc/45/57/32/564455732.db2.gz QZQRKMLACOUQNA-IHRRRGAJSA-N 1 0 376.316 2.807 20 0 GFADRO CNC(=O)C[C@H](C)[NH2+][C@@H](C)c1nnn(-c2cccc(Br)c2)c1C ZINC000453378301 564455816 /nfs/dbraw/zinc/45/58/16/564455816.db2.gz QGBPRAKGLIRBOQ-QWRGUYRKSA-N 1 0 380.290 2.513 20 0 GFADRO CC(C)[N@@H+]1CC[C@@H](N(C)c2nnc(-c3cc(Br)cn3C)n2C)C1 ZINC000453446709 564457291 /nfs/dbraw/zinc/45/72/91/564457291.db2.gz KTDGAASSLYYMKP-CYBMUJFWSA-N 1 0 381.322 2.502 20 0 GFADRO CN(CC[NH+](C)C)C(=O)c1cccn1-c1ccc(I)cc1 ZINC000480103580 564460407 /nfs/dbraw/zinc/46/04/07/564460407.db2.gz DUCRGHIAVVAYOV-UHFFFAOYSA-N 1 0 397.260 2.716 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)NCC[N@H+]1CC=C(C)CC1 ZINC000546581834 564460443 /nfs/dbraw/zinc/46/04/43/564460443.db2.gz MYMADGCKONXJJH-UHFFFAOYSA-N 1 0 394.313 2.773 20 0 GFADRO Cc1cc(Cl)cc(NC(=O)C(=O)NCC[N@@H+](C)C(C)C)c1Br ZINC000453636886 564461174 /nfs/dbraw/zinc/46/11/74/564461174.db2.gz AMPOXBPPHPYLEY-UHFFFAOYSA-N 1 0 390.709 2.806 20 0 GFADRO CC[N@@H+]1CC[C@H](CN[C@H]2CCS(=O)(=O)c3ccc(Br)cc32)C1 ZINC000480227105 564465020 /nfs/dbraw/zinc/46/50/20/564465020.db2.gz MWYPGZSMNZAVFY-DOMZBBRYSA-N 1 0 387.343 2.599 20 0 GFADRO C[C@@H]([NH2+]C1CCN(c2nccs2)CC1)c1cccc(NS(C)(=O)=O)c1 ZINC000546687430 564465010 /nfs/dbraw/zinc/46/50/10/564465010.db2.gz DZYGPJRDVKLAQJ-CYBMUJFWSA-N 1 0 380.539 2.834 20 0 GFADRO COCC[N@@H+]1CC[C@@H](NC(=O)c2cn(-c3ccc(Cl)c(Cl)c3)cn2)C1 ZINC000515030829 564466692 /nfs/dbraw/zinc/46/66/92/564466692.db2.gz VXWMIYGDEDFMJQ-GFCCVEGCSA-N 1 0 383.279 2.630 20 0 GFADRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)[C@@H]1CCc2cc(Br)ccc21 ZINC000515062039 564467937 /nfs/dbraw/zinc/46/79/37/564467937.db2.gz NNDZHJIZVPALID-SUMWQHHRSA-N 1 0 395.341 2.783 20 0 GFADRO COc1ccc(S(=O)(=O)N(C)CC2([NH+](C)C)CCC2)c(Br)c1 ZINC000480370933 564470524 /nfs/dbraw/zinc/47/05/24/564470524.db2.gz INBANRQMJWBENH-UHFFFAOYSA-N 1 0 391.331 2.563 20 0 GFADRO Cc1cc(C[NH3+])cc(NC(=O)N[C@H]2C[C@H](C)S(=O)(=O)c3sccc32)c1 ZINC000569687079 564474127 /nfs/dbraw/zinc/47/41/27/564474127.db2.gz WWXAZTUUTRJURR-NHYWBVRUSA-N 1 0 379.507 2.944 20 0 GFADRO Cc1cc(C[NH2+][C@H]2CCCN(c3ccnn3C)C2=O)sc1Br ZINC000480486594 564475259 /nfs/dbraw/zinc/47/52/59/564475259.db2.gz JRBJDFXNSGQMTF-LBPRGKRZSA-N 1 0 383.315 2.838 20 0 GFADRO OC[C@@H](C[NH2+]C[C@H](O)Cc1ccccc1)Cc1ccccc1Br ZINC000569722838 564475847 /nfs/dbraw/zinc/47/58/47/564475847.db2.gz CVDXMFHBJNZMIP-SJLPKXTDSA-N 1 0 378.310 2.793 20 0 GFADRO C[C@H](NCc1ccc(S(=O)(=O)N(C)C)s1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000515348681 564476213 /nfs/dbraw/zinc/47/62/13/564476213.db2.gz IWRWGRCUQARBJC-LSDHHAIUSA-N 1 0 385.599 2.741 20 0 GFADRO O=C(NC[C@@H]1C[NH2+]CCCO1)Nc1cc(Cl)ccc1OCC(F)(F)F ZINC000515404905 564478224 /nfs/dbraw/zinc/47/82/24/564478224.db2.gz HQKMTRWFRCPCEM-NSHDSACASA-N 1 0 381.782 2.781 20 0 GFADRO Cc1ncc2c(n1)CC[C@@H]([NH2+]Cc1cn(-c3ccccc3Br)nn1)C2 ZINC000515479192 564479972 /nfs/dbraw/zinc/47/99/72/564479972.db2.gz AHZOHZXVUVHDMJ-CQSZACIVSA-N 1 0 399.296 2.775 20 0 GFADRO CC1=CC[N@H+](CCNC(=O)N2CCN(Cc3ccc(Cl)s3)CC2)CC1 ZINC000547272219 564481142 /nfs/dbraw/zinc/48/11/42/564481142.db2.gz XDNGSGJMYPJCJM-UHFFFAOYSA-N 1 0 382.961 2.881 20 0 GFADRO Cc1cc(F)c(Br)cc1S(=O)(=O)N(C)CC[N@H+](C)C1CC1 ZINC000480692092 564482457 /nfs/dbraw/zinc/48/24/57/564482457.db2.gz XSTKLFXBVOBZHV-UHFFFAOYSA-N 1 0 379.295 2.611 20 0 GFADRO CS(=O)(=O)c1ccc(C[NH2+][C@@H]2CCN(C(=O)Nc3ccccc3)C2)s1 ZINC000569908892 564482909 /nfs/dbraw/zinc/48/29/09/564482909.db2.gz GANSPPAESOSLDK-CQSZACIVSA-N 1 0 379.507 2.548 20 0 GFADRO C[C@H](CNS(=O)(=O)c1ccc(Br)cc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000515737590 564486972 /nfs/dbraw/zinc/48/69/72/564486972.db2.gz VRCMQVGDUZUKFG-CHWSQXEVSA-N 1 0 375.332 2.848 20 0 GFADRO O=C(CNC(=O)[C@@H]1CCC[NH2+]1)Nc1cccc(Cl)c1SCC(F)F ZINC000515847655 564488836 /nfs/dbraw/zinc/48/88/36/564488836.db2.gz CMABKQBOPYSIOP-NSHDSACASA-N 1 0 377.844 2.504 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)C1CCN(C(=O)c2ccc(Cl)s2)CC1)C1CC1 ZINC000515995793 564491370 /nfs/dbraw/zinc/49/13/70/564491370.db2.gz DOPQKRFXWQDKQD-CQSZACIVSA-N 1 0 383.945 2.710 20 0 GFADRO OC[C@H](C[NH2+]C[C@H](O)COc1ccc(Cl)cc1Cl)Cc1cccnc1 ZINC000570211879 564496066 /nfs/dbraw/zinc/49/60/66/564496066.db2.gz JACKEQNMCDEERC-HOCLYGCPSA-N 1 0 385.291 2.569 20 0 GFADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)[C@@H]1CCc2cc(Br)ccc21 ZINC000570282112 564499080 /nfs/dbraw/zinc/49/90/80/564499080.db2.gz SAJNDYCEXVLPTQ-KBXCAEBGSA-N 1 0 394.357 2.621 20 0 GFADRO C[C@@H]([NH2+]CCS(=O)(=O)c1ccccc1)C1CCN(CC(F)(F)F)CC1 ZINC000516496147 564503567 /nfs/dbraw/zinc/50/35/67/564503567.db2.gz KAUPQAKWVPVSOT-CQSZACIVSA-N 1 0 378.460 2.713 20 0 GFADRO C[NH+](C)[C@@]1(CNC(=O)NCc2ccc(F)cc2Br)CCSC1 ZINC000481268067 564508545 /nfs/dbraw/zinc/50/85/45/564508545.db2.gz XXKNYADEOAKGMD-OAHLLOKOSA-N 1 0 390.322 2.825 20 0 GFADRO C[C@H](c1ccccc1)[C@H](O)C[NH2+]CCNC(=O)c1ccc(Br)cc1 ZINC000570509239 564509340 /nfs/dbraw/zinc/50/93/40/564509340.db2.gz VCDWNIRZMADKQZ-RDTXWAMCSA-N 1 0 391.309 2.933 20 0 GFADRO C[C@H]([NH3+])C[C@H](C)NS(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCCCO1 ZINC000570513940 564509801 /nfs/dbraw/zinc/50/98/01/564509801.db2.gz GBIPKZIODWMTHS-KCQAQPDRSA-N 1 0 390.933 2.692 20 0 GFADRO COC(=O)c1ccc(OC[C@H](O)C[NH2+]Cc2ccc(Br)cc2)cc1 ZINC000570564250 564511655 /nfs/dbraw/zinc/51/16/55/564511655.db2.gz JUACKWFSFLJHRL-MRXNPFEDSA-N 1 0 394.265 2.765 20 0 GFADRO C[C@@H]([NH2+]Cc1cccc(I)c1)C(=O)NCc1ccco1 ZINC000570587493 564512958 /nfs/dbraw/zinc/51/29/58/564512958.db2.gz IIKCVJVHBNYZHO-LLVKDONJSA-N 1 0 384.217 2.679 20 0 GFADRO COc1c[nH+]ccc1N1CCN(S(=O)(=O)c2ccc(C)cc2Cl)CC1 ZINC000481487956 564514373 /nfs/dbraw/zinc/51/43/73/564514373.db2.gz BQHHAYAGBNUOFI-UHFFFAOYSA-N 1 0 381.885 2.563 20 0 GFADRO CC[C@@H](C)[NH2+][C@@H](CNC(=O)NCc1n[nH]cc1Br)c1ccco1 ZINC000570621424 564514737 /nfs/dbraw/zinc/51/47/37/564514737.db2.gz IELBVWFQMXAXFL-MFKMUULPSA-N 1 0 384.278 2.694 20 0 GFADRO COc1cc(C[NH2+]C[C@@H](CO)C(C)C)cc(I)c1OC ZINC000570720454 564518632 /nfs/dbraw/zinc/51/86/32/564518632.db2.gz JBHFHXCWDBLDMH-LBPRGKRZSA-N 1 0 393.265 2.663 20 0 GFADRO C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)c1ccc(-n2cc(Br)cn2)cc1 ZINC000517025083 564521791 /nfs/dbraw/zinc/52/17/91/564521791.db2.gz QXDATVDJZQXFII-XHBSWPGZSA-N 1 0 377.286 2.751 20 0 GFADRO COc1cc(Br)ccc1[C@H](C)NC(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000454830796 564523180 /nfs/dbraw/zinc/52/31/80/564523180.db2.gz FEBSNWFABWROAF-SLEUVZQESA-N 1 0 382.302 2.864 20 0 GFADRO Cc1cc(CC[NH2+]C[C@H](O)COc2ccc(Cl)cc2Br)on1 ZINC000570837509 564523774 /nfs/dbraw/zinc/52/37/74/564523774.db2.gz YEQKWXQSSBOYJG-LBPRGKRZSA-N 1 0 389.677 2.971 20 0 GFADRO C[C@@H](CNC(=O)CNC(=O)c1sc2ccccc2c1Cl)[NH+]1CCCC1 ZINC000517077050 564524196 /nfs/dbraw/zinc/52/41/96/564524196.db2.gz UEDULHWADZEOOB-LBPRGKRZSA-N 1 0 379.913 2.885 20 0 GFADRO CC[C@H](C)[N@H+](C)CCNC(=O)NCC(=O)Nc1ccc(Br)c(C)c1 ZINC000517078704 564524374 /nfs/dbraw/zinc/52/43/74/564524374.db2.gz BKBPCYRXJBTZMA-ZDUSSCGKSA-N 1 0 399.333 2.726 20 0 GFADRO CC[N@H+](CCCN1C(=O)NC(C)(C)C1=O)Cc1cccc(Br)c1 ZINC000517121490 564525123 /nfs/dbraw/zinc/52/51/23/564525123.db2.gz GMFZDDQJIUWSDZ-UHFFFAOYSA-N 1 0 382.302 2.992 20 0 GFADRO [NH3+]C[C@@H]1c2ccccc2CCN1S(=O)(=O)c1ccc(F)c(Br)c1 ZINC000570926647 564527769 /nfs/dbraw/zinc/52/77/69/564527769.db2.gz CTCUDELCTYYLGU-MRXNPFEDSA-N 1 0 399.285 2.835 20 0 GFADRO CC[C@H](N[C@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000481920328 564528337 /nfs/dbraw/zinc/52/83/37/564528337.db2.gz UWMHDOCAZUDFJU-YESZJQIVSA-N 1 0 385.961 2.916 20 0 GFADRO O=C(NC[C@@H]1CCC[N@H+]1CCCO)Nc1cc(F)c(Br)cc1F ZINC000455014732 564531530 /nfs/dbraw/zinc/53/15/30/564531530.db2.gz AYEDDNZTFCRKLX-JTQLQIEISA-N 1 0 392.244 2.696 20 0 GFADRO C[NH+]1CCN(c2ccc(Br)cc2NC(=O)c2cscn2)CC1 ZINC000482001659 564531583 /nfs/dbraw/zinc/53/15/83/564531583.db2.gz YGDHZWIJOUWKKK-UHFFFAOYSA-N 1 0 381.299 2.910 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)NC[C@@H]1CCC[N@@H+]1CCCO ZINC000454999620 564531735 /nfs/dbraw/zinc/53/17/35/564531735.db2.gz QQGXUJKKRNXOFX-HNNXBMFYSA-N 1 0 384.318 2.980 20 0 GFADRO O=C(N[C@@H](c1cc(F)cc(Br)c1)C1CC1)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000482039848 564532521 /nfs/dbraw/zinc/53/25/21/564532521.db2.gz IYZQTFSCFYETON-DLBZAZTESA-N 1 0 396.304 2.545 20 0 GFADRO C[NH2+][C@H](CC(C)(C)C)C(=O)Nc1ccc(I)c(C)n1 ZINC000571044060 564533339 /nfs/dbraw/zinc/53/33/39/564533339.db2.gz JLVIFFSSHQWJTN-LLVKDONJSA-N 1 0 375.254 2.957 20 0 GFADRO C[C@H]1CCC[C@H](C)[NH+]1CCNS(=O)(=O)c1cccc(Br)c1 ZINC000517414381 564533724 /nfs/dbraw/zinc/53/37/24/564533724.db2.gz IXVNNYIJUDVTRX-STQMWFEESA-N 1 0 375.332 2.990 20 0 GFADRO C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C1 ZINC000517455053 564534503 /nfs/dbraw/zinc/53/45/03/564534503.db2.gz MWGANCIRMRVOTI-GXTWGEPZSA-N 1 0 384.307 2.804 20 0 GFADRO C[C@@H]1CN(C(=O)c2[nH]nc(C3CC3)c2Br)CC[N@@H+](C2CCC2)C1 ZINC000571066054 564534564 /nfs/dbraw/zinc/53/45/64/564534564.db2.gz CNSPYACVHBMNRZ-NSHDSACASA-N 1 0 381.318 2.996 20 0 GFADRO Cc1cc(Br)c(F)cc1NC(=O)NC[C@H]1CCCC[N@@H+]1CCO ZINC000455164891 564539625 /nfs/dbraw/zinc/53/96/25/564539625.db2.gz KJDKRMXWUJLIIX-GFCCVEGCSA-N 1 0 388.281 2.865 20 0 GFADRO [NH3+]C1(c2noc(-c3cc(Cn4cc(Br)cn4)on3)n2)CCCCC1 ZINC000571194450 564539867 /nfs/dbraw/zinc/53/98/67/564539867.db2.gz OZGRIXZWCMFNEP-UHFFFAOYSA-N 1 0 393.245 2.850 20 0 GFADRO Cc1cc(S(=O)(=O)N(C)CC[C@H]([NH3+])C(C)C)c(F)cc1Br ZINC000571209043 564540777 /nfs/dbraw/zinc/54/07/77/564540777.db2.gz ZXYRCHQKMCUGQY-ZDUSSCGKSA-N 1 0 381.311 2.891 20 0 GFADRO C[C@H](c1ccc(Br)cc1)N1CC[NH+](CC[C@H]2CCNC2=O)CC1 ZINC000571222606 564540895 /nfs/dbraw/zinc/54/08/95/564540895.db2.gz UDYZQZIXLWFNJY-GDBMZVCRSA-N 1 0 380.330 2.654 20 0 GFADRO C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1Cl)N1CCN(C)CC1 ZINC000482359244 564541660 /nfs/dbraw/zinc/54/16/60/564541660.db2.gz QFJHONYLEIVLEI-LBPRGKRZSA-N 1 0 388.737 2.697 20 0 GFADRO C[N@H+]1CC=C(CNS(=O)(=O)c2cccc(Br)c2Cl)CC1 ZINC000517763036 564542289 /nfs/dbraw/zinc/54/22/89/564542289.db2.gz IPJTVCCHVPPBEI-UHFFFAOYSA-N 1 0 379.707 2.643 20 0 GFADRO CSC1(CNS(=O)(=O)c2cccc(Br)c2)CC[NH+](C)CC1 ZINC000571248802 564542569 /nfs/dbraw/zinc/54/25/69/564542569.db2.gz WOMJENKCZRUEOQ-UHFFFAOYSA-N 1 0 393.372 2.555 20 0 GFADRO C[NH+](C)CCN(C(=O)c1ccc(I)cn1)c1ccccc1 ZINC000455217081 564543426 /nfs/dbraw/zinc/54/34/26/564543426.db2.gz XCBOMHVYVGXEHG-UHFFFAOYSA-N 1 0 395.244 2.895 20 0 GFADRO O[C@@H](C[NH2+][C@@H]1CCN(c2ncccc2Cl)C1)COc1ccccc1Cl ZINC000571277258 564543498 /nfs/dbraw/zinc/54/34/98/564543498.db2.gz DQLUGAOCLFBCSU-KGLIPLIRSA-N 1 0 382.291 2.997 20 0 GFADRO C[C@H]1CCN(CC(=O)Nc2cc(N3CCOCC3)ccc2Br)C1 ZINC000571297438 564544607 /nfs/dbraw/zinc/54/46/07/564544607.db2.gz KMJZFZMOXBRWQQ-ZDUSSCGKSA-N 1 0 382.302 2.566 20 0 GFADRO C[C@H]1CC2(CN1S(=O)(=O)c1cccc(OC(F)(F)F)c1)CC[NH2+]CC2 ZINC000571432307 564550986 /nfs/dbraw/zinc/55/09/86/564550986.db2.gz RXBQLDGQSVZILK-LBPRGKRZSA-N 1 0 378.416 2.738 20 0 GFADRO C[C@@H](CNC(=O)C(=O)Nc1cc(Cl)cc(C(F)(F)F)c1)[NH+]1CCCC1 ZINC000548453966 564552995 /nfs/dbraw/zinc/55/29/95/564552995.db2.gz AGJQALCWIGDWER-JTQLQIEISA-N 1 0 377.794 2.898 20 0 GFADRO COc1c(Br)cccc1C[NH2+]CCC1CCS(=O)(=O)CC1 ZINC000548474844 564553581 /nfs/dbraw/zinc/55/35/81/564553581.db2.gz SHHLOOPRTKHTCY-UHFFFAOYSA-N 1 0 376.316 2.762 20 0 GFADRO C[C@@H](CNC(=O)N1CCO[C@H](c2ccc(F)c(Br)c2)C1)[NH+](C)C ZINC000455436407 564554671 /nfs/dbraw/zinc/55/46/71/564554671.db2.gz USGANIUUGVJKSB-NHYWBVRUSA-N 1 0 388.281 2.621 20 0 GFADRO C[N@H+](CC(=O)N[C@@H](CCO)c1ccc(Cl)c(Cl)c1)[C@@H]1CCSC1 ZINC000518505249 564555392 /nfs/dbraw/zinc/55/53/92/564555392.db2.gz NGVJWABSMYXRCW-DOMZBBRYSA-N 1 0 377.337 2.970 20 0 GFADRO O=C(Nc1ccc(Br)cc1F)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000518622163 564558237 /nfs/dbraw/zinc/55/82/37/564558237.db2.gz JAQALZCRMKDBOC-CYBMUJFWSA-N 1 0 398.276 2.614 20 0 GFADRO O=S(=O)(c1ccc(F)c(F)c1F)N1CCC(C[NH+]2CCCCC2)CC1 ZINC000518649947 564559134 /nfs/dbraw/zinc/55/91/34/564559134.db2.gz FQRCVQPKEXEWNS-UHFFFAOYSA-N 1 0 376.444 2.991 20 0 GFADRO C[C@@H]1CN(Cc2cc3c(cc2Br)OCCCO3)C[C@@]2(CCOC2)O1 ZINC000483182447 564559838 /nfs/dbraw/zinc/55/98/38/564559838.db2.gz MJCQPONONQQIPF-FZKQIMNGSA-N 1 0 398.297 2.990 20 0 GFADRO CS(=O)(=O)C1CCC([NH2+]C[C@@H](O)Cc2ccccc2C(F)(F)F)CC1 ZINC000571671018 564562043 /nfs/dbraw/zinc/56/20/43/564562043.db2.gz NQODSXYXXRDLQY-SLTAFYQDSA-N 1 0 379.444 2.554 20 0 GFADRO C[NH+](C)CCn1nccc1NC(=O)NCCc1ccc(F)c(Br)c1 ZINC000455668511 564564008 /nfs/dbraw/zinc/56/40/08/564564008.db2.gz LDGAQDXDHMZRSI-UHFFFAOYSA-N 1 0 398.280 2.711 20 0 GFADRO COc1cc(OC)c(S(=O)(=O)N[C@H](C)C[NH+]2CCC(C)CC2)cc1Cl ZINC000571777188 564566716 /nfs/dbraw/zinc/56/67/16/564566716.db2.gz UZQWBLLPFIZLBR-CYBMUJFWSA-N 1 0 390.933 2.756 20 0 GFADRO COc1cc(C)c(Br)cc1S(=O)(=O)N1CCCC[C@@H]1CC[NH3+] ZINC000571799497 564567312 /nfs/dbraw/zinc/56/73/12/564567312.db2.gz HIYIEADROPPDMC-GFCCVEGCSA-N 1 0 391.331 2.658 20 0 GFADRO CC[N@H+](CCN1CCCS1(=O)=O)[C@H](C)Cc1ccccc1C(F)(F)F ZINC000483426059 564567302 /nfs/dbraw/zinc/56/73/02/564567302.db2.gz LAYCHRBSANMXPH-CQSZACIVSA-N 1 0 378.460 2.994 20 0 GFADRO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000483423653 564567364 /nfs/dbraw/zinc/56/73/64/564567364.db2.gz YIBRQQPCODGVIL-ZIAGYGMSSA-N 1 0 386.323 2.941 20 0 GFADRO COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)N1CCC(C[NH+](C)C)CC1 ZINC000483468898 564568184 /nfs/dbraw/zinc/56/81/84/564568184.db2.gz GGEKGGDHFZTHAW-UHFFFAOYSA-N 1 0 388.295 2.741 20 0 GFADRO Cc1cc2c(cc1C)[C@@H]([NH2+]CCNS(=O)(=O)Cc1ccon1)CCS2 ZINC000548634194 564568510 /nfs/dbraw/zinc/56/85/10/564568510.db2.gz OFGBRXDFQCAPJC-INIZCTEOSA-N 1 0 381.523 2.538 20 0 GFADRO C[C@]1(NC(=O)c2c[nH]c(=O)c(Br)c2)CC[N@H+](Cc2ccccc2)C1 ZINC000572010505 564577312 /nfs/dbraw/zinc/57/73/12/564577312.db2.gz YDOIFHPDKHKFTE-SFHVURJKSA-N 1 0 390.281 2.944 20 0 GFADRO Cc1nc2cc(Cl)c(NC(=O)C(=O)N[C@@H]3CC[N@H+](C)[C@@H](C)C3)cc2s1 ZINC000483891051 564577464 /nfs/dbraw/zinc/57/74/64/564577464.db2.gz GQFLJAVSCRWVRM-GXSJLCMTSA-N 1 0 380.901 2.796 20 0 GFADRO O=C(COc1ccccc1)N1CC[C@H]([NH2+]Cc2ccc(Br)cn2)C1 ZINC000548873160 564579575 /nfs/dbraw/zinc/57/95/75/564579575.db2.gz FEWXHRISGPOWAC-INIZCTEOSA-N 1 0 390.281 2.614 20 0 GFADRO Cn1ccnc1[C@H]1C[C@@H]([NH2+]Cc2cc3c(cc2Br)OCO3)CCO1 ZINC000519521592 564579772 /nfs/dbraw/zinc/57/97/72/564579772.db2.gz FRHRLHKNQQFKLA-BLLLJJGKSA-N 1 0 394.269 2.921 20 0 GFADRO Cn1ccnc1[C@@H]1C[C@@H]([NH2+]Cc2cc3c(cc2Br)OCO3)CCO1 ZINC000519521593 564579942 /nfs/dbraw/zinc/57/99/42/564579942.db2.gz FRHRLHKNQQFKLA-LRDDRELGSA-N 1 0 394.269 2.921 20 0 GFADRO CC(C)OC[C@@H](O)C[NH2+][C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000519543094 564580798 /nfs/dbraw/zinc/58/07/98/564580798.db2.gz SJANOJYMMCEJAQ-STQMWFEESA-N 1 0 381.826 2.708 20 0 GFADRO CC[NH+](CC)CC[C@@H](CO)NC(=O)[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000519551753 564580825 /nfs/dbraw/zinc/58/08/25/564580825.db2.gz MFEPSIVXQCHPEO-YESZJQIVSA-N 1 0 383.330 2.762 20 0 GFADRO CC[C@H]1Cc2c(Br)cccc2C[N@@H+]1CCC(=O)N1CCN(C)CC1 ZINC000548933096 564581309 /nfs/dbraw/zinc/58/13/09/564581309.db2.gz NETBSNRHFOJFMZ-INIZCTEOSA-N 1 0 394.357 2.750 20 0 GFADRO O=C1NCC[C@@H]1CC[N@H+]1CCC[C@@H]1c1ccccc1I ZINC000572131523 564582385 /nfs/dbraw/zinc/58/23/85/564582385.db2.gz FWSJGCLOLALEKS-IUODEOHRSA-N 1 0 384.261 2.954 20 0 GFADRO C[C@H](NC(=O)NCc1nn(C)cc1Br)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000519584770 564582597 /nfs/dbraw/zinc/58/25/97/564582597.db2.gz LVTIMZKHKGVXDP-QWHCGFSZSA-N 1 0 398.349 2.635 20 0 GFADRO Cc1ccc(F)c(NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC3)C2)c1Br ZINC000484227072 564584204 /nfs/dbraw/zinc/58/42/04/564584204.db2.gz BDELBVAOOGQWTC-LBPRGKRZSA-N 1 0 398.276 2.530 20 0 GFADRO C[C@@H]1[C@H](NC(=O)C(=O)Nc2cccc(Cl)c2Br)CCC[N@@H+]1C ZINC000484253779 564584923 /nfs/dbraw/zinc/58/49/23/564584923.db2.gz DBYUENMGTZPBCN-MWLCHTKSSA-N 1 0 388.693 2.640 20 0 GFADRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)[C@@H]3C[C@H]3c3cccc(Br)c3)[C@H]2C1 ZINC000456040620 564585154 /nfs/dbraw/zinc/58/51/54/564585154.db2.gz XCVZSUDGVYCXAM-XWTMOSNGSA-N 1 0 393.325 2.874 20 0 GFADRO CC(C)c1ccccc1OC[C@H](O)C[NH2+]CCn1cc(Br)cn1 ZINC000519637342 564585217 /nfs/dbraw/zinc/58/52/17/564585217.db2.gz PASHQTNNJJSQAP-OAHLLOKOSA-N 1 0 382.302 2.799 20 0 GFADRO [NH3+]CC1(CC(=O)N[C@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)CC1 ZINC000572282754 564587620 /nfs/dbraw/zinc/58/76/20/564587620.db2.gz LYCFUVSNMKFDHL-NSHDSACASA-N 1 0 376.810 2.578 20 0 GFADRO COc1ccc(Br)c([C@H](CO)N(C)C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)c1 ZINC000456102687 564588495 /nfs/dbraw/zinc/58/84/95/564588495.db2.gz GIAARIQFKRGZRS-DCGLDWPTSA-N 1 0 399.329 2.822 20 0 GFADRO COc1ccc(Br)c([C@@H](CO)N(C)C(=O)C[NH+]2CCC(C)CC2)c1 ZINC000456107343 564589433 /nfs/dbraw/zinc/58/94/33/564589433.db2.gz RAZQFNUUTBSEKS-QGZVFWFLSA-N 1 0 399.329 2.681 20 0 GFADRO CCO[C@@H]1COCC[C@H]1[NH2+]CC(=O)N(C)Cc1cc(Cl)cc(Cl)c1 ZINC000484616299 564592896 /nfs/dbraw/zinc/59/28/96/564592896.db2.gz MRUNXUQZABGBRD-HZPDHXFCSA-N 1 0 375.296 2.735 20 0 GFADRO CCO[C@@H]1COCC[C@@H]1[NH2+]CC(=O)N(C)Cc1ccc(Cl)c(Cl)c1 ZINC000484658974 564594763 /nfs/dbraw/zinc/59/47/63/564594763.db2.gz WTLAXZPJTODDNE-JKSUJKDBSA-N 1 0 375.296 2.735 20 0 GFADRO O[C@H](COc1cc(F)cc(Br)c1)C[N@@H+]1CC[C@H](OC(F)F)C1 ZINC000549410030 564595174 /nfs/dbraw/zinc/59/51/74/564595174.db2.gz ZZINGOHFBVWVLE-RYUDHWBXSA-N 1 0 384.192 2.641 20 0 GFADRO O=S(=O)(NCCCCC[NH+]1CCCC1)c1ccccc1Br ZINC000549522647 564596714 /nfs/dbraw/zinc/59/67/14/564596714.db2.gz ISZFOVPIBMLPTG-UHFFFAOYSA-N 1 0 375.332 2.994 20 0 GFADRO C[N@@H+]1CCC[C@@H](CNC(=O)c2cn(Cc3ccc(Cl)cc3Cl)nn2)C1 ZINC000572601055 564601193 /nfs/dbraw/zinc/60/11/93/564601193.db2.gz HWIBVTSVVJTFNL-LBPRGKRZSA-N 1 0 382.295 2.705 20 0 GFADRO Cc1cc(NC(=O)CC[NH2+][C@@H]2CCc3c2ccc(F)c3Br)no1 ZINC000572595521 564601346 /nfs/dbraw/zinc/60/13/46/564601346.db2.gz LCJLZKGLRVPLHU-CYBMUJFWSA-N 1 0 382.233 3.490 20 0 GFADRO C[C@H]1C[N@H+](C)CCN1c1ccc(Br)cc1NC(=O)c1cn[nH]c1 ZINC000456365206 564602206 /nfs/dbraw/zinc/60/22/06/564602206.db2.gz HMYUVXDIYQNOLP-NSHDSACASA-N 1 0 378.274 2.565 20 0 GFADRO O=S(=O)(c1cc(F)ccc1Br)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000520552040 564607227 /nfs/dbraw/zinc/60/72/27/564607227.db2.gz PLXORCIHKOBOKP-UONOGXRCSA-N 1 0 391.306 2.883 20 0 GFADRO CCCOC[C@H](Cc1cccc(Br)c1)[NH2+]C[C@@H](C)S(C)(=O)=O ZINC000572715134 564607421 /nfs/dbraw/zinc/60/74/21/564607421.db2.gz QSFKBONYTNIIGU-CJNGLKHVSA-N 1 0 392.359 2.810 20 0 GFADRO C[C@H](CNC(=O)C(=O)NCc1ccc(Cl)cc1Cl)[NH+]1CCC(C)CC1 ZINC000549904529 564607822 /nfs/dbraw/zinc/60/78/22/564607822.db2.gz GCODVROQSHPUBS-CYBMUJFWSA-N 1 0 386.323 2.846 20 0 GFADRO O=C(CCC[S@](=O)c1ccc(Br)cc1)N1CCC2(CC[NH2+]2)CC1 ZINC000572749813 564609524 /nfs/dbraw/zinc/60/95/24/564609524.db2.gz ADBPHQNUJMWQKN-QHCPKHFHSA-N 1 0 399.354 2.691 20 0 GFADRO CCOc1cc(C[N@H+](C)C[C@@H]2CCN(C(C)=O)C2)cc(Br)c1O ZINC000485205355 564610000 /nfs/dbraw/zinc/61/00/00/564610000.db2.gz IQOKLTYXOBLNHI-ZDUSSCGKSA-N 1 0 385.302 2.854 20 0 GFADRO CCO[C@@H]1C[C@H]([NH2+]Cc2cnc3ccc(Br)cn23)[C@H]1n1cccn1 ZINC000549942481 564610622 /nfs/dbraw/zinc/61/06/22/564610622.db2.gz WOPAMIAYQAPZOW-ZMSDIMECSA-N 1 0 390.285 2.802 20 0 GFADRO Cc1ccc(C[C@@H](CO)CNC(=O)[C@@H]2CCC[N@@H+]2C2CC2)cc1Br ZINC000456488106 564611468 /nfs/dbraw/zinc/61/14/68/564611468.db2.gz JDBKUARQDCGQJT-QAPCUYQASA-N 1 0 395.341 2.652 20 0 GFADRO CCCN(CC(=O)Nc1ccc(Cl)cc1Cl)C[C@@H](O)C[N@H+](C)CC ZINC000572821966 564611623 /nfs/dbraw/zinc/61/16/23/564611623.db2.gz SJHUBGRTEXUREG-AWEZNQCLSA-N 1 0 376.328 2.957 20 0 GFADRO C[C@@H](CNC(=O)N[C@@H](C)c1ncc(Br)cn1)[N@@H+]1CCCC[C@@H]1C ZINC000572819424 564612199 /nfs/dbraw/zinc/61/21/99/564612199.db2.gz YLKUTJUQLGOPOY-AVGNSLFASA-N 1 0 384.322 2.862 20 0 GFADRO C[C@H](O)[C@@H]1CCCC[N@@H+]1CC(=O)N(C)CCOc1ccc(Br)cc1 ZINC000520747177 564612386 /nfs/dbraw/zinc/61/23/86/564612386.db2.gz OOHBKULRYAZRJY-YOEHRIQHSA-N 1 0 399.329 2.522 20 0 GFADRO Cc1ccsc1CNC(=O)C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000550025189 564613646 /nfs/dbraw/zinc/61/36/46/564613646.db2.gz JIRRNXREBSYSJJ-AWEZNQCLSA-N 1 0 377.535 2.688 20 0 GFADRO Cc1cc(Cl)ccc1S(=O)(=O)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000550072215 564614790 /nfs/dbraw/zinc/61/47/90/564614790.db2.gz FGELXQWPBDIBOU-UHFFFAOYSA-N 1 0 386.945 2.771 20 0 GFADRO CC[C@@H](C)[NH+]1CCN(C(=O)[C@H]2CC(=O)Nc3ccc(Br)cc32)CC1 ZINC000456529974 564616408 /nfs/dbraw/zinc/61/64/08/564616408.db2.gz MIPMMNVVDUDHLQ-DOMZBBRYSA-N 1 0 394.313 2.818 20 0 GFADRO COc1cc(C(=O)N(C)[C@H]2CC[N@H+](C)C[C@H]2C)cc(Br)c1OC ZINC000550280026 564619167 /nfs/dbraw/zinc/61/91/67/564619167.db2.gz YCUCOZAFTZBZCV-RISCZKNCSA-N 1 0 385.302 2.879 20 0 GFADRO CSC[C@H](C)C(=O)Nc1cc(Br)cnc1N1CCN(C)CC1 ZINC000456588603 564620019 /nfs/dbraw/zinc/62/00/19/564620019.db2.gz NREYNHABETYCCU-NSHDSACASA-N 1 0 387.347 2.534 20 0 GFADRO Cc1cc(Br)cc(Cl)c1C(=O)NC[C@@]1(O)C[NH+]2CCC1CC2 ZINC000573019055 564620036 /nfs/dbraw/zinc/62/00/36/564620036.db2.gz LYZSOYKYLGSZEN-MRXNPFEDSA-N 1 0 387.705 2.597 20 0 GFADRO CC(C)[NH2+]CCCN[C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000521225684 564622919 /nfs/dbraw/zinc/62/29/19/564622919.db2.gz XVLCSUZYYGVPKU-CQSZACIVSA-N 1 0 375.332 2.645 20 0 GFADRO O=C(NCC1(c2cccc(Br)c2)CC1)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000485777563 564625504 /nfs/dbraw/zinc/62/55/04/564625504.db2.gz AESFXNFUZSJRSC-LBPRGKRZSA-N 1 0 389.297 2.711 20 0 GFADRO COc1cc(C[NH2+]Cc2cc(F)cc(Br)c2)ccc1OCC(N)=O ZINC000550507761 564626131 /nfs/dbraw/zinc/62/61/31/564626131.db2.gz ZITFYLHQMSFRDI-UHFFFAOYSA-N 1 0 397.244 2.751 20 0 GFADRO O=C1CCc2cc(OC[C@H](O)C[NH2+]CCc3ccc(Cl)s3)ccc2N1 ZINC000573199270 564627471 /nfs/dbraw/zinc/62/74/71/564627471.db2.gz RMCZLOCOVWOPIN-CYBMUJFWSA-N 1 0 380.897 2.858 20 0 GFADRO Cc1c(Br)cccc1CN1C(=O)N[C@@]2(CCCC[C@H]2C[NH3+])C1=O ZINC000573203660 564628183 /nfs/dbraw/zinc/62/81/83/564628183.db2.gz PZKKQXDKMLQLFL-SUMWQHHRSA-N 1 0 380.286 2.697 20 0 GFADRO Cc1c(Br)cccc1C[C@@H](CO)CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC000456736594 564631627 /nfs/dbraw/zinc/63/16/27/564631627.db2.gz XDZNCGKWHJZCDM-PBHICJAKSA-N 1 0 385.346 2.611 20 0 GFADRO C[C@H](Oc1ccccc1Br)C(=O)N(CC[NH+](C)C)C[C@H]1CCCO1 ZINC000485939678 564631732 /nfs/dbraw/zinc/63/17/32/564631732.db2.gz MULNIGGWZVRHSK-LSDHHAIUSA-N 1 0 399.329 2.786 20 0 GFADRO Cc1oc(Br)cc1C(=O)N1CCC(n2ncc3c2C[NH2+]C3)CC1 ZINC000573316208 564632758 /nfs/dbraw/zinc/63/27/58/564632758.db2.gz DFVJKOHBBIBBQC-UHFFFAOYSA-N 1 0 379.258 2.628 20 0 GFADRO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+][C@H]1CCN(Cc2ccccc2)C1 ZINC000550892869 564633965 /nfs/dbraw/zinc/63/39/65/564633965.db2.gz UFWOVFVETMMZSU-YJBOKZPZSA-N 1 0 390.325 2.863 20 0 GFADRO CC[NH+]1CCN(CC(C)(C)NC(=O)c2ccc(C)cc2Br)CC1 ZINC000456892394 564637394 /nfs/dbraw/zinc/63/73/94/564637394.db2.gz FXUHISXNPUJUNS-UHFFFAOYSA-N 1 0 382.346 2.903 20 0 GFADRO COCCO[C@@H]1COCC[C@H]1[NH2+][C@@H](C)c1ccc(OC)c(Br)c1 ZINC000486061128 564638064 /nfs/dbraw/zinc/63/80/64/564638064.db2.gz IUMWQMFHWLMNNG-XGWLTEMNSA-N 1 0 388.302 2.929 20 0 GFADRO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCC1(c2ccc(Br)cc2)CCOCC1 ZINC000486088371 564638644 /nfs/dbraw/zinc/63/86/44/564638644.db2.gz RKZDQUJOFNUKEC-PBHICJAKSA-N 1 0 395.341 2.811 20 0 GFADRO C[C@H](NC(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12)c1cccc(Cl)c1Cl ZINC000551139637 564639135 /nfs/dbraw/zinc/63/91/35/564639135.db2.gz FDLWHJCLQBMKQV-TUKIKUTGSA-N 1 0 384.307 2.914 20 0 GFADRO O=C(N[C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)N[C@H]1C[NH2+]CCC1(F)F ZINC000573465035 564639232 /nfs/dbraw/zinc/63/92/32/564639232.db2.gz ODZRDMLWBYUHKC-HZSPNIEDSA-N 1 0 377.794 2.606 20 0 GFADRO COc1cc(Br)c(C[NH2+][C@H](C2CC2)[C@]2(CO)CCCO2)cc1O ZINC000573467399 564639728 /nfs/dbraw/zinc/63/97/28/564639728.db2.gz WVDZBZNNHQSSDR-IAGOWNOFSA-N 1 0 386.286 2.573 20 0 GFADRO Cc1ccc(C(=O)N2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)c(Br)c1 ZINC000486144542 564641163 /nfs/dbraw/zinc/64/11/63/564641163.db2.gz ACKXNMHVNORHSZ-CRAIPNDOSA-N 1 0 394.357 2.856 20 0 GFADRO CC[C@@H](C(=O)Nc1cc(N2CCOCC2)c(Br)cn1)[NH+](CC)CC ZINC000456981674 564642022 /nfs/dbraw/zinc/64/20/22/564642022.db2.gz OCYDIVQMADMYEG-AWEZNQCLSA-N 1 0 399.333 2.740 20 0 GFADRO CC1(C)CCC[N@@H+]1CCNC(=O)[C@@H]1CC(=O)Nc2ccc(Br)cc21 ZINC000457055588 564645113 /nfs/dbraw/zinc/64/51/13/564645113.db2.gz NDGKIFQUBCEKHY-CQSZACIVSA-N 1 0 394.313 2.866 20 0 GFADRO CCOC(=O)CC[C@@H](O)C[NH2+]Cc1nc2cc(Br)ccc2n1CC ZINC000573597889 564646202 /nfs/dbraw/zinc/64/62/02/564646202.db2.gz XTGZEOXDBORXIO-CYBMUJFWSA-N 1 0 398.301 2.613 20 0 GFADRO O=C(CSCC1CC[NH2+]CC1)Nc1cccc(I)c1 ZINC000573604022 564646508 /nfs/dbraw/zinc/64/65/08/564646508.db2.gz GKCMNMLPMBGORR-UHFFFAOYSA-N 1 0 390.290 2.963 20 0 GFADRO COc1cc(C[NH2+]C[C@@]2(C)CCOC2)cc(I)c1OC ZINC000522212629 564647142 /nfs/dbraw/zinc/64/71/42/564647142.db2.gz AAHXHKIKDAQJBR-OAHLLOKOSA-N 1 0 391.249 2.825 20 0 GFADRO O=C(NCCOc1cccc(Br)c1)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000573621328 564646932 /nfs/dbraw/zinc/64/69/32/564646932.db2.gz OUHDJOLDLRHIGS-KCQAQPDRSA-N 1 0 382.302 2.515 20 0 GFADRO C[C@H]1CC[N@H+](C)CCN1C(=O)c1ccc(-n2cc(Br)cn2)cc1 ZINC000522188781 564647449 /nfs/dbraw/zinc/64/74/49/564647449.db2.gz FPAQBYHHFCRUHJ-ZDUSSCGKSA-N 1 0 377.286 2.801 20 0 GFADRO CCOc1cc(C[NH2+]C2CCC(C(N)=O)CC2)cc(Br)c1OC ZINC000522213878 564647492 /nfs/dbraw/zinc/64/74/92/564647492.db2.gz FTNRILLLVNQARL-UHFFFAOYSA-N 1 0 385.302 2.990 20 0 GFADRO COCCCS(=O)(=O)NCC[NH2+][C@H](c1ccc(Cl)cc1F)C(C)C ZINC000573636097 564647739 /nfs/dbraw/zinc/64/77/39/564647739.db2.gz FXPLOXYXQLCIBP-INIZCTEOSA-N 1 0 380.913 2.722 20 0 GFADRO Cc1cc(Br)cc(NC(=O)NC[C@@H](O)C[NH+]2CCC(C)CC2)c1 ZINC000486322956 564648799 /nfs/dbraw/zinc/64/87/99/564648799.db2.gz ILRPVAWDOWYWAX-MRXNPFEDSA-N 1 0 384.318 2.972 20 0 GFADRO CCCc1ccc(Cl)c(S(=O)(=O)NC[C@H](O)C[NH+]2CCC(C)CC2)c1 ZINC000551493532 564651751 /nfs/dbraw/zinc/65/17/51/564651751.db2.gz ZLYVGAZCOJJYFL-INIZCTEOSA-N 1 0 388.961 2.664 20 0 GFADRO O=C(NCC[C@@H]1CCC[NH2+]C1)NCc1cc(Br)cc2c1OCC2 ZINC000573820397 564655770 /nfs/dbraw/zinc/65/57/70/564655770.db2.gz NXSMPYYXSICRKA-LBPRGKRZSA-N 1 0 382.302 2.573 20 0 GFADRO C[C@H](Cc1ccc(Br)cc1F)[NH2+]C1CCC2(CC1)NC(=O)NC2=O ZINC000573846248 564657158 /nfs/dbraw/zinc/65/71/58/564657158.db2.gz YIQQYPRAHHNZGJ-OPFFKBQKSA-N 1 0 398.276 2.630 20 0 GFADRO O[C@@H]1CC[C@H]2CN(Cc3c(Br)cncc3Br)C[C@@H]12 ZINC000573854651 564657187 /nfs/dbraw/zinc/65/71/87/564657187.db2.gz UDWSHXUUKBNFQT-IGJMFERPSA-N 1 0 376.092 2.809 20 0 GFADRO O=C(CNC(=O)c1cccc(Br)c1)NCCC[NH2+]C1CCCCC1 ZINC000522893267 564658274 /nfs/dbraw/zinc/65/82/74/564658274.db2.gz GEYARTZYSCBOFT-UHFFFAOYSA-N 1 0 396.329 2.608 20 0 GFADRO O=C(NC[C@H]1CCCC[N@H+]1CCO)c1cc2c(Br)cccc2cn1 ZINC000573913540 564659971 /nfs/dbraw/zinc/65/99/71/564659971.db2.gz KMVCFIOUTTVMEK-CQSZACIVSA-N 1 0 392.297 2.574 20 0 GFADRO C[NH+](C)CCCCC(=O)NCc1c(Br)cncc1Br ZINC000574011824 564664697 /nfs/dbraw/zinc/66/46/97/564664697.db2.gz CADJBQNDCSNVRP-UHFFFAOYSA-N 1 0 393.123 2.955 20 0 GFADRO [NH3+]CCC1CCN(C(=O)c2cnn(-c3ccc(Br)cc3)c2)CC1 ZINC000574049362 564666447 /nfs/dbraw/zinc/66/64/47/564666447.db2.gz CEXQZBJNDLSHHF-UHFFFAOYSA-N 1 0 377.286 2.836 20 0 GFADRO CNC(=O)[C@H]1CCC[C@H]1[NH2+]Cc1ccnc(-c2ccc(Br)cc2)n1 ZINC000551898673 564667191 /nfs/dbraw/zinc/66/71/91/564667191.db2.gz HJPUWPLCYBBOSZ-JKSUJKDBSA-N 1 0 389.297 2.910 20 0 GFADRO CC[NH+](CC)C[C@@H](C)NC(=O)c1ccc(I)c(F)c1 ZINC000523660019 564670192 /nfs/dbraw/zinc/67/01/92/564670192.db2.gz BUQLVGBESFODEW-SNVBAGLBSA-N 1 0 378.229 2.890 20 0 GFADRO Cc1cc(CNC(=O)NCCCC[NH+]2CCOCC2)ccc1Br ZINC000457748367 564671240 /nfs/dbraw/zinc/67/12/40/564671240.db2.gz PWMMJEGDPTXDLT-UHFFFAOYSA-N 1 0 384.318 2.669 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)[C@H]2CCc3cc(Br)ccc32)CC12CCOCC2 ZINC000574401385 564672500 /nfs/dbraw/zinc/67/25/00/564672500.db2.gz KOPWWQDAXQETFJ-PBHICJAKSA-N 1 0 393.325 2.693 20 0 GFADRO Cc1cccc(I)c1C(=O)N1CC2CCC1(C[NH3+])CC2 ZINC000574409040 564672687 /nfs/dbraw/zinc/67/26/87/564672687.db2.gz ADCHMASMYLIJND-UHFFFAOYSA-N 1 0 384.261 2.943 20 0 GFADRO O=C(NCC1CC[NH2+]CC1)Nc1ccnn1Cc1cccc(Br)c1 ZINC000574424294 564673075 /nfs/dbraw/zinc/67/30/75/564673075.db2.gz SRNLJHZCTBXRQK-UHFFFAOYSA-N 1 0 392.301 2.815 20 0 GFADRO CCOC(=O)C[C@H](NC(=O)[C@H]1C[N@H+](C)C[C@H]1C)c1cccc(Br)c1 ZINC000487028773 564673219 /nfs/dbraw/zinc/67/32/19/564673219.db2.gz ZQMKAVBESNNERS-KCXAZCMYSA-N 1 0 397.313 2.757 20 0 GFADRO C[C@@H](Cc1ccc(O)cc1)[NH2+]C[C@H]1CCN(S(=O)(=O)c2cccs2)C1 ZINC000552032761 564674257 /nfs/dbraw/zinc/67/42/57/564674257.db2.gz PSRGPJXGNHHULB-GOEBONIOSA-N 1 0 380.535 2.685 20 0 GFADRO C[N@H+](CCOc1ccc(S(N)(=O)=O)cc1)Cc1cscc1C(F)(F)F ZINC000552072021 564675836 /nfs/dbraw/zinc/67/58/36/564675836.db2.gz PSTBQXWNAUTJHB-UHFFFAOYSA-N 1 0 394.440 2.925 20 0 GFADRO CC[C@H](C)[N@H+](C)CCNC(=O)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000524046127 564675918 /nfs/dbraw/zinc/67/59/18/564675918.db2.gz XQHSLJUIIYERMI-UONOGXRCSA-N 1 0 396.329 2.649 20 0 GFADRO COc1cc(OC)c([C@H](C)[NH2+]C[C@H]2CCCCN2S(C)(=O)=O)cc1Cl ZINC000552100361 564676882 /nfs/dbraw/zinc/67/68/82/564676882.db2.gz HLDVEZUYVLEQEN-QWHCGFSZSA-N 1 0 390.933 2.822 20 0 GFADRO CCC(CC)[C@H](O)C[NH2+]CCS(=O)(=O)c1cccc(Br)c1 ZINC000574572061 564679753 /nfs/dbraw/zinc/67/97/53/564679753.db2.gz HESAUAKDGZEENF-OAHLLOKOSA-N 1 0 378.332 2.610 20 0 GFADRO CC(C)(C[NH+]1CCCC1)NC(=O)NCc1cn2cc(Br)ccc2n1 ZINC000457949112 564680403 /nfs/dbraw/zinc/68/04/03/564680403.db2.gz NZZMVESGRJLYPY-UHFFFAOYSA-N 1 0 394.317 2.770 20 0 GFADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](C)Oc1cc(Cl)cc(Cl)c1 ZINC000524351429 564680725 /nfs/dbraw/zinc/68/07/25/564680725.db2.gz ZZPDMZJUEIDQDV-SWLSCSKDSA-N 1 0 375.296 2.988 20 0 GFADRO Cc1cc(CC[NH2+]Cc2ccc(Br)cc2N2CCOCC2)on1 ZINC000552184715 564681288 /nfs/dbraw/zinc/68/12/88/564681288.db2.gz PXLBVXKOXLOOAC-UHFFFAOYSA-N 1 0 380.286 2.914 20 0 GFADRO O=C(CN1CCc2cc(Br)ccc21)NC1CC[NH+](C2CC2)CC1 ZINC000552210175 564681691 /nfs/dbraw/zinc/68/16/91/564681691.db2.gz PQTQDFWROWPCBO-UHFFFAOYSA-N 1 0 378.314 2.555 20 0 GFADRO Cc1ccc(SCC(F)(F)F)c(NC(=O)C(=O)N[C@@H](C)C[C@@H](C)[NH3+])c1 ZINC000574638632 564682284 /nfs/dbraw/zinc/68/22/84/564682284.db2.gz ZYDHEHGFBSVSDS-MNOVXSKESA-N 1 0 377.432 2.830 20 0 GFADRO Cc1ccc(SCC(F)(F)F)c(NC(=O)C(=O)N[C@H](C)C[C@@H](C)[NH3+])c1 ZINC000574638631 564682505 /nfs/dbraw/zinc/68/25/05/564682505.db2.gz ZYDHEHGFBSVSDS-GHMZBOCLSA-N 1 0 377.432 2.830 20 0 GFADRO COc1ccc(Cl)cc1S(=O)(=O)NCc1ccc(CC[NH+](C)C)cc1 ZINC000487330397 564682544 /nfs/dbraw/zinc/68/25/44/564682544.db2.gz CKIGGDCMDXYDBQ-UHFFFAOYSA-N 1 0 382.913 2.931 20 0 GFADRO O=C(NCC[N@H+]1CC=CCC1)c1cc(Br)cnc1OCC1CC1 ZINC000552223553 564682566 /nfs/dbraw/zinc/68/25/66/564682566.db2.gz FLPCXEJHZOBBNH-UHFFFAOYSA-N 1 0 380.286 2.625 20 0 GFADRO O=C(Nc1cccc(Br)c1)C1CC[NH+](C[C@H]2CCCNC2=O)CC1 ZINC000574656718 564683209 /nfs/dbraw/zinc/68/32/09/564683209.db2.gz YHOIIWVGVMFFQZ-CQSZACIVSA-N 1 0 394.313 2.626 20 0 GFADRO C[C@H](Cc1cccc(Br)c1)NC(=O)NC[C@H]1CCCC[N@@H+]1CCO ZINC000457994452 564683465 /nfs/dbraw/zinc/68/34/65/564683465.db2.gz LKEUOJRWVILCJF-RHSMWYFYSA-N 1 0 398.345 2.526 20 0 GFADRO CCO[C@@H](CC[NH+](C)C)CNC(=O)c1cc(Br)c(C)cc1OC ZINC000552327864 564686296 /nfs/dbraw/zinc/68/62/96/564686296.db2.gz HUXITRPPPJBLHD-ZDUSSCGKSA-N 1 0 387.318 2.853 20 0 GFADRO C[C@H]1CC[N@H+](CCNC(=O)COc2ccc(Br)cc2Cl)C1 ZINC000524719529 564686712 /nfs/dbraw/zinc/68/67/12/564686712.db2.gz ZALNUNCRVFSMAH-NSHDSACASA-N 1 0 375.694 2.939 20 0 GFADRO C[N@@H+]1CCC[C@H](CCNC(=O)NCCOc2ccc(Br)cc2)C1 ZINC000458078533 564686840 /nfs/dbraw/zinc/68/68/40/564686840.db2.gz ISIBPCDCSXQDME-CQSZACIVSA-N 1 0 384.318 2.859 20 0 GFADRO COCCc1nc(C)c([C@H](C)[NH2+]C[C@@H](N2CCOCC2)C(F)(F)F)s1 ZINC000552335597 564687290 /nfs/dbraw/zinc/68/72/90/564687290.db2.gz XQWARZKPOGFIQH-WCQYABFASA-N 1 0 381.464 2.554 20 0 GFADRO CN1C(=O)C[C@H](C(=O)NC[C@H]2CCC[N@@H+]2C)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000574738000 564687523 /nfs/dbraw/zinc/68/75/23/564687523.db2.gz ZCAHZAHSIGUKOP-IIYDPXPESA-N 1 0 384.307 2.723 20 0 GFADRO C[N@@H+]1CCC[C@H](CCNC(=O)c2c(F)cccc2I)C1 ZINC000458185161 564692823 /nfs/dbraw/zinc/69/28/23/564692823.db2.gz GRYNITWFEAJPJO-LLVKDONJSA-N 1 0 390.240 2.892 20 0 GFADRO COc1cc(I)c(Cl)cc1C(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000575125512 564692855 /nfs/dbraw/zinc/69/28/55/564692855.db2.gz GZMFZPUXGJRDFB-SFYZADRCSA-N 1 0 396.656 2.809 20 0 GFADRO CCn1c(CNC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)nc2cc(Br)ccc21 ZINC000487710244 564694795 /nfs/dbraw/zinc/69/47/95/564694795.db2.gz QWPUPZCGWMXWFY-DGCLKSJQSA-N 1 0 379.302 2.633 20 0 GFADRO CC(C)[C@@H](Cn1cccn1)[NH2+]CCCNS(=O)(=O)c1ccccc1Cl ZINC000575437033 564699540 /nfs/dbraw/zinc/69/95/40/564699540.db2.gz WVWPTOPRJDBRGQ-MRXNPFEDSA-N 1 0 384.933 2.519 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2cc(Cl)ccc2C(=O)OC)C[C@H]1C ZINC000525385738 564700029 /nfs/dbraw/zinc/70/00/29/564700029.db2.gz IVXCRLGNIVQNTH-TZMCWYRMSA-N 1 0 388.917 2.620 20 0 GFADRO COc1cc(Br)ccc1CNC(=O)NCC[NH+]1CCC(C)CC1 ZINC000487939459 564700185 /nfs/dbraw/zinc/70/01/85/564700185.db2.gz DQXADZWLLGLRIA-UHFFFAOYSA-N 1 0 384.318 2.989 20 0 GFADRO CN(C)[C@@]1(C[NH2+]CCS(=O)(=O)c2ccc(C(C)(C)C)cc2)CCSC1 ZINC000575741097 564701675 /nfs/dbraw/zinc/70/16/75/564701675.db2.gz LJFDJSDLHJNODP-LJQANCHMSA-N 1 0 384.611 2.785 20 0 GFADRO CCCNC(=O)NC(=O)C[N@H+](C)CC1(c2ccc(Br)cc2)CC1 ZINC000525488214 564703037 /nfs/dbraw/zinc/70/30/37/564703037.db2.gz GLTMAGXUVPIRRP-UHFFFAOYSA-N 1 0 382.302 2.648 20 0 GFADRO C[C@H]1COC(C)(C)C[N@@H+]1C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000488194706 564706067 /nfs/dbraw/zinc/70/60/67/564706067.db2.gz DXNTYQRDOCWJKR-SMDDNHRTSA-N 1 0 376.266 2.827 20 0 GFADRO [NH3+]CC[C@H]1CCCCN1C(=O)c1cn(-c2ccc(Br)cc2)cn1 ZINC000576219862 564708206 /nfs/dbraw/zinc/70/82/06/564708206.db2.gz XDPWKEVZRRMSSI-OAHLLOKOSA-N 1 0 377.286 2.978 20 0 GFADRO O[C@H](C[NH2+]CCc1nccs1)COc1cc(F)cc(Br)c1 ZINC000576220450 564708682 /nfs/dbraw/zinc/70/86/82/564708682.db2.gz RDAAUHQECLJJCX-GFCCVEGCSA-N 1 0 375.263 2.617 20 0 GFADRO C[S@@](=O)Cc1ccc(C[NH2+]C[C@H](O)COCc2ccccc2Cl)cc1 ZINC000576272906 564710997 /nfs/dbraw/zinc/71/09/97/564710997.db2.gz RIRJSXKFGZYBQC-AVRWGWEMSA-N 1 0 381.925 2.886 20 0 GFADRO COCCNS(=O)(=O)c1ccc(C[NH2+][C@H]2CS[C@@H](C(C)(C)C)C2)cc1 ZINC000488429821 564711948 /nfs/dbraw/zinc/71/19/48/564711948.db2.gz DGSLCNHCLIDYRC-NVXWUHKLSA-N 1 0 386.583 2.621 20 0 GFADRO O=S1(=O)CC[C@H]([NH2+][C@@H]2C[C@H]3OCCC[C@@H]23)c2cc(Br)ccc21 ZINC000525880540 564712353 /nfs/dbraw/zinc/71/23/53/564712353.db2.gz GFRQGKGNZUXXBB-SPWCGHHHSA-N 1 0 386.311 2.825 20 0 GFADRO C[C@@H](CNC(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1)c1c(Cl)cccc1Cl ZINC000553207174 564712402 /nfs/dbraw/zinc/71/24/02/564712402.db2.gz WLKQPRMXQVPJGI-QWHCGFSZSA-N 1 0 386.323 2.766 20 0 GFADRO CC[N@H+](CCNC(=O)NCc1cnc(OC)c(Cl)c1)CCC(F)(F)F ZINC000458706565 564714156 /nfs/dbraw/zinc/71/41/56/564714156.db2.gz DMPWYEFDAZOLTG-UHFFFAOYSA-N 1 0 382.814 2.817 20 0 GFADRO C[C@H]1C[N@H+](CCCNC(=O)NCCc2cccc(Br)c2)CCCO1 ZINC000458717230 564715023 /nfs/dbraw/zinc/71/50/23/564715023.db2.gz LMVSHJDDCNAQTI-HNNXBMFYSA-N 1 0 398.345 2.792 20 0 GFADRO CCCC[N@H+](C)C[C@@H](C)NS(=O)(=O)c1cc(OC)c(OC)cc1Cl ZINC000576552178 564715348 /nfs/dbraw/zinc/71/53/48/564715348.db2.gz FEBBTTLWYYTUIX-GFCCVEGCSA-N 1 0 378.922 2.756 20 0 GFADRO C[NH+](C)CC(C)(C)NC(=O)NCc1nc(-c2cccc(Br)c2)no1 ZINC000458755708 564717043 /nfs/dbraw/zinc/71/70/43/564717043.db2.gz WLONKHRBZRWGIX-UHFFFAOYSA-N 1 0 396.289 2.639 20 0 GFADRO CN1CCN(C(=O)C[N@H+](C)[C@H]2CCSC2)c2ccc(Br)cc21 ZINC000553396571 564718131 /nfs/dbraw/zinc/71/81/31/564718131.db2.gz HKFFYMVPRSJTHI-ZDUSSCGKSA-N 1 0 384.343 2.669 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)NCc1ccc(C[S@](C)=O)cc1)c1ccsc1 ZINC000553388782 564718152 /nfs/dbraw/zinc/71/81/52/564718152.db2.gz NCPBXBZZMLALNM-NSYGIPOTSA-N 1 0 379.551 2.729 20 0 GFADRO CNC(=O)NCCC(=O)N(CCC[NH+](C)C)Cc1ccc(Cl)c(Cl)c1 ZINC000553382921 564718175 /nfs/dbraw/zinc/71/81/75/564718175.db2.gz ZFYWKSCSDJHGLY-UHFFFAOYSA-N 1 0 389.327 2.593 20 0 GFADRO Cc1nccc(NC(=O)NC[C@H](c2ccccc2)[NH+](C)C)c1Br ZINC000526096790 564719699 /nfs/dbraw/zinc/71/96/99/564719699.db2.gz LBOUHBIQNOPOCF-OAHLLOKOSA-N 1 0 377.286 2.999 20 0 GFADRO CC(C)[N@@H+]1CCCN(C(=O)Cc2cc3c(cc2Br)OCCO3)CC1 ZINC000526137288 564721733 /nfs/dbraw/zinc/72/17/33/564721733.db2.gz QNNXOIGXEQVFTN-UHFFFAOYSA-N 1 0 397.313 2.706 20 0 GFADRO Cc1cc(S(=O)(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)ccc1Br ZINC000576989455 564722271 /nfs/dbraw/zinc/72/22/71/564722271.db2.gz GVMIJWYVWLPAMR-UONOGXRCSA-N 1 0 387.343 2.768 20 0 GFADRO CC[C@H](C)[NH+]1CCN(C(=O)NCc2nc(C)c(Br)s2)CC1 ZINC000458930252 564723824 /nfs/dbraw/zinc/72/38/24/564723824.db2.gz OXFHKJFBTNUNIB-JTQLQIEISA-N 1 0 375.336 2.840 20 0 GFADRO O=C(NCC[N@H+]1CC=CCC1)c1cc(=O)[nH]c2c(Br)cccc12 ZINC000527019766 564726441 /nfs/dbraw/zinc/72/64/41/564726441.db2.gz SJJGEGFPXUNIRT-UHFFFAOYSA-N 1 0 376.254 2.695 20 0 GFADRO CC[C@@H](C)[NH+]1CCN(C(=O)NCc2nc3c(cccc3Br)[nH]2)CC1 ZINC000459128513 564732543 /nfs/dbraw/zinc/73/25/43/564732543.db2.gz DILNUSRNBUTFOR-GFCCVEGCSA-N 1 0 394.317 2.951 20 0 GFADRO CCOC(=O)c1cc(Cl)cc(S(=O)(=O)NCCC2CC[NH+](C)CC2)c1 ZINC000489268153 564733994 /nfs/dbraw/zinc/73/39/94/564733994.db2.gz MASVWKMVLOOKOS-UHFFFAOYSA-N 1 0 388.917 2.527 20 0 GFADRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NCC(=O)Nc1cc(Cl)ccc1Cl ZINC000527224819 564734304 /nfs/dbraw/zinc/73/43/04/564734304.db2.gz UZPNNYNBVIDDBD-MEBBXXQBSA-N 1 0 385.295 2.714 20 0 GFADRO CN(CC1([NH+](C)C)CCC1)C(=O)NCc1nc2c(cccc2Br)[nH]1 ZINC000459221686 564736614 /nfs/dbraw/zinc/73/66/14/564736614.db2.gz UKXFUENOMPMVQM-UHFFFAOYSA-N 1 0 394.317 2.951 20 0 GFADRO C[N@@H+]1CC[C@@]2(CCN(C(=O)C3=Cc4cc(Br)ccc4OC3)C2)C1 ZINC000553794858 564736846 /nfs/dbraw/zinc/73/68/46/564736846.db2.gz VDXLMHNNTVTTSN-GOSISDBHSA-N 1 0 377.282 2.779 20 0 GFADRO CC(C)[C@@H]1CN(C(=O)c2ccc(I)c(F)c2)CC[N@@H+]1C ZINC000489353886 564737105 /nfs/dbraw/zinc/73/71/05/564737105.db2.gz SFRHXQBJSMFFDV-AWEZNQCLSA-N 1 0 390.240 2.843 20 0 GFADRO CC[N@@H+]1C[C@@H](C)N(C(=O)NCc2nc3c(cccc3Br)[nH]2)C[C@H]1C ZINC000459226459 564737777 /nfs/dbraw/zinc/73/77/77/564737777.db2.gz YLANLZDYFANUOF-VXGBXAGGSA-N 1 0 394.317 2.950 20 0 GFADRO C[N@@H+]1CCC[C@@H](CCNC(=O)N[C@@H](CCO)c2ccccc2Br)C1 ZINC000459293944 564738543 /nfs/dbraw/zinc/73/85/43/564738543.db2.gz INILXDMJRSDRGY-YOEHRIQHSA-N 1 0 398.345 2.904 20 0 GFADRO Cc1nccc(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1Br ZINC000527336657 564739838 /nfs/dbraw/zinc/73/98/38/564739838.db2.gz CVPJFHRRVOHAFO-OAHLLOKOSA-N 1 0 389.297 2.970 20 0 GFADRO CSc1ccccc1C[C@H](C)[NH2+]C[C@@H]1CCCCN1S(=O)(=O)N(C)C ZINC000578059331 564740206 /nfs/dbraw/zinc/74/02/06/564740206.db2.gz KDKRRGAKFNQQLI-RDJZCZTQSA-N 1 0 385.599 2.590 20 0 GFADRO CS[C@@H]1CN(S(=O)(=O)c2ccc(C(F)F)cc2)C[C@H]1[NH+]1CCCC1 ZINC000553853093 564740600 /nfs/dbraw/zinc/74/06/00/564740600.db2.gz OVBZKHOWZJFVNG-HUUCEWRRSA-N 1 0 376.494 2.825 20 0 GFADRO CN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)CC[N@H+](C)[C@H]2CC2(C)C)c1 ZINC000489470617 564740822 /nfs/dbraw/zinc/74/08/22/564740822.db2.gz MPDNPDUZYQZAFZ-HNNXBMFYSA-N 1 0 387.933 2.649 20 0 GFADRO CCOc1cc(CN2CCC[C@]3(CNC(=O)C3)C2)cc(Br)c1O ZINC000459376097 564740902 /nfs/dbraw/zinc/74/09/02/564740902.db2.gz NOUMDHNQCLQCQO-KRWDZBQOSA-N 1 0 383.286 2.656 20 0 GFADRO COC(=O)CC1([NH2+]CC(=O)Nc2c(F)cc(F)cc2Br)CCC1 ZINC000459388909 564742311 /nfs/dbraw/zinc/74/23/11/564742311.db2.gz MNRRBCSYDDCAPA-UHFFFAOYSA-N 1 0 391.212 2.741 20 0 GFADRO CN(CCC[N@H+](C)Cc1ccncc1)C(=O)c1c[nH]c(=O)c(Br)c1 ZINC000578812666 564744415 /nfs/dbraw/zinc/74/44/15/564744415.db2.gz OGLDRBCRMWYMOR-UHFFFAOYSA-N 1 0 393.285 2.539 20 0 GFADRO COc1cc(CNC(=O)C[N@@H+]2CCC(C)(C)C2)cc(Br)c1OC ZINC000579609783 564749340 /nfs/dbraw/zinc/74/93/40/564749340.db2.gz ISCXVMCZFUVGTM-UHFFFAOYSA-N 1 0 385.302 2.814 20 0 GFADRO COc1ccc(C[C@H](CO)C[NH2+]Cc2cccc(O)c2Br)cc1O ZINC000459569442 564751387 /nfs/dbraw/zinc/75/13/87/564751387.db2.gz YCPLWJLEWZETJS-ZDUSSCGKSA-N 1 0 396.281 2.810 20 0 GFADRO COCc1cc(C[NH2+]C[C@@H](CO)Cc2cc(Br)ccc2F)no1 ZINC000459570556 564751637 /nfs/dbraw/zinc/75/16/37/564751637.db2.gz MHEKPXHPVYDYLG-NSHDSACASA-N 1 0 387.249 2.663 20 0 GFADRO Cc1nnc([C@H]2CC[N@H+](CCC(=O)Nc3ccc(Br)cc3)C2)[nH]1 ZINC000579806968 564751788 /nfs/dbraw/zinc/75/17/88/564751788.db2.gz MVETYKBEKGXULB-LBPRGKRZSA-N 1 0 378.274 2.694 20 0 GFADRO C[N@@H+]1CC[C@]2(CCN(C(=O)c3ccc(Br)c4c3OCCC4)C2)C1 ZINC000554142837 564752228 /nfs/dbraw/zinc/75/22/28/564752228.db2.gz VWIQQZMXRWBMSA-SFHVURJKSA-N 1 0 379.298 2.942 20 0 GFADRO CCOC(=O)COc1c(Br)cc(C)cc1C[NH2+][C@@H]1CCC[C@H]1O ZINC000459601079 564752263 /nfs/dbraw/zinc/75/22/63/564752263.db2.gz VWBVTDCDCUKQAJ-HUUCEWRRSA-N 1 0 386.286 2.702 20 0 GFADRO C[C@H]1COCCN1CC[NH2+]Cc1c[nH]nc1-c1ccc(Br)s1 ZINC000527654669 564753009 /nfs/dbraw/zinc/75/30/09/564753009.db2.gz VCLVEEDSTWHIRB-NSHDSACASA-N 1 0 385.331 2.711 20 0 GFADRO CNC(=O)[C@H]1CCC[C@@H]1[NH2+]Cc1c[nH]nc1-c1ccc(Br)s1 ZINC000527687836 564755464 /nfs/dbraw/zinc/75/54/64/564755464.db2.gz WCYGOYRRDNHKAP-QWRGUYRKSA-N 1 0 383.315 2.905 20 0 GFADRO COCCO[C@H]1COCC[C@H]1[NH2+]Cc1ccc(Br)c(F)c1F ZINC000527695609 564756230 /nfs/dbraw/zinc/75/62/30/564756230.db2.gz OQHUGYMHAXDSQV-OLZOCXBDSA-N 1 0 380.229 2.637 20 0 GFADRO C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]C[C@@H](CO)Cc1cc(F)cc(Br)c1 ZINC000459685660 564756531 /nfs/dbraw/zinc/75/65/31/564756531.db2.gz AZJFEZQEMRGWAQ-IAISJRAMSA-N 1 0 385.321 2.812 20 0 GFADRO OC1(CC[NH2+]Cc2c[nH]nc2-c2ccc(Br)s2)CCOCC1 ZINC000527707787 564757257 /nfs/dbraw/zinc/75/72/57/564757257.db2.gz NJAOPCJALRDTIW-UHFFFAOYSA-N 1 0 386.315 2.922 20 0 GFADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2ccc(Br)c(F)c2F)C1 ZINC000527723081 564758516 /nfs/dbraw/zinc/75/85/16/564758516.db2.gz XJEUTRVHWFHSHV-NSHDSACASA-N 1 0 391.256 2.814 20 0 GFADRO O=S(=O)(c1ccc(F)cc1)N1CCC[N@H+](C[C@H]2CCC(F)(F)C2)CC1 ZINC000580458273 564759315 /nfs/dbraw/zinc/75/93/15/564759315.db2.gz JGFFFLHDACKYON-AWEZNQCLSA-N 1 0 376.444 2.958 20 0 GFADRO O[C@H](C[NH2+]Cc1ccc(OC(F)(F)F)c(Br)c1)[C@H]1CCCO1 ZINC000527753995 564759437 /nfs/dbraw/zinc/75/94/37/564759437.db2.gz CCNLPKQGXIIFTK-DGCLKSJQSA-N 1 0 384.192 2.977 20 0 GFADRO O=C(NCCOc1c(Cl)cc(Cl)cc1Cl)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000490116690 564763696 /nfs/dbraw/zinc/76/36/96/564763696.db2.gz GZJBQLSTXPMVNI-CQSZACIVSA-N 1 0 392.714 2.532 20 0 GFADRO C[C@H]1[NH2+]CCN(S(=O)(=O)Cc2cc(Cl)ccc2Br)[C@@H]1C ZINC000580564066 564765131 /nfs/dbraw/zinc/76/51/31/564765131.db2.gz KSJBCDNKPFHGFL-NXEZZACHSA-N 1 0 381.723 2.615 20 0 GFADRO COc1cc(Cl)c(S(=O)(=O)N2CCCC[C@H]2[C@H]2CCC[NH2+]2)cc1OC ZINC000580633409 564767348 /nfs/dbraw/zinc/76/73/48/564767348.db2.gz HKJPFLGWZVNCBC-KGLIPLIRSA-N 1 0 388.917 2.652 20 0 GFADRO Cc1nc2c(cc(OC[C@@H](O)CN3CC[NH+](C)CC3)c3ccsc32)s1 ZINC000580628950 564767844 /nfs/dbraw/zinc/76/78/44/564767844.db2.gz WAHPIMXKPBLZKH-ZDUSSCGKSA-N 1 0 377.535 2.807 20 0 GFADRO O=S(=O)(N[C@H]1CC[NH2+]C12CCC2)c1c(Cl)cccc1Br ZINC000528052420 564768084 /nfs/dbraw/zinc/76/80/84/564768084.db2.gz RKMMYGGFQOWLMP-NSHDSACASA-N 1 0 379.707 2.665 20 0 GFADRO CC(C)[C@H]1CN(C(=O)Cc2cc3c(cc2Br)OCCO3)CC[N@@H+]1C ZINC000490305033 564768112 /nfs/dbraw/zinc/76/81/12/564768112.db2.gz FQEGQNLTOVWZOP-OAHLLOKOSA-N 1 0 397.313 2.561 20 0 GFADRO O=S(=O)(N[C@H]1CC[NH2+]C12CCC2)c1cccc(Cl)c1Br ZINC000528050919 564768243 /nfs/dbraw/zinc/76/82/43/564768243.db2.gz GRHUTLLMPRMFPL-NSHDSACASA-N 1 0 379.707 2.665 20 0 GFADRO CC(C)[C@@H]1C[NH2+]CCN1S(=O)(=O)c1ccc(Br)cc1Cl ZINC000528046541 564768387 /nfs/dbraw/zinc/76/83/87/564768387.db2.gz FSQHUSKIIKIJRQ-LBPRGKRZSA-N 1 0 381.723 2.721 20 0 GFADRO O=S(=O)(c1ccc(Cl)c(Cl)c1)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000528060552 564769012 /nfs/dbraw/zinc/76/90/12/564769012.db2.gz KUXSLLOGAFDXDM-ZDUSSCGKSA-N 1 0 393.336 2.773 20 0 GFADRO O=S(=O)(NCC[NH2+]Cc1cnc(C2CC2)s1)c1ccc(F)cc1Cl ZINC000554661695 564769174 /nfs/dbraw/zinc/76/91/74/564769174.db2.gz GHSYHXINNRZGKO-UHFFFAOYSA-N 1 0 389.905 2.881 20 0 GFADRO C[C@@H](C(=O)NCCOc1ccc2cc(Br)ccc2c1)C1C[NH2+]C1 ZINC000580712472 564770223 /nfs/dbraw/zinc/77/02/23/564770223.db2.gz YPVGXGHNVTWVTD-GFCCVEGCSA-N 1 0 377.282 2.953 20 0 GFADRO C[C@H](C[N@H+](C)C[C@@H]1CCN(S(C)(=O)=O)C1)Oc1ccc(Cl)c(Cl)c1 ZINC000554840983 564774780 /nfs/dbraw/zinc/77/47/80/564774780.db2.gz LBKLZQRNRJYTDY-OLZOCXBDSA-N 1 0 395.352 2.974 20 0 GFADRO O=C(NCCc1c[nH]c2ccc(Br)cc12)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000580882580 564778471 /nfs/dbraw/zinc/77/84/71/564778471.db2.gz CLLFEEUANWOVNB-TZMCWYRMSA-N 1 0 391.313 2.724 20 0 GFADRO COc1cc(Br)ccc1C(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000580887868 564778878 /nfs/dbraw/zinc/77/88/78/564778878.db2.gz RQPOBQYTXKGIIZ-JKSUJKDBSA-N 1 0 375.266 2.943 20 0 GFADRO O=C1C[C@H]([C@@H]2CCCC[N@H+]2Cc2ccc(I)cc2)CN1 ZINC000490696781 564780346 /nfs/dbraw/zinc/78/03/46/564780346.db2.gz JUDWHJPFJCCJLM-ZFWWWQNUSA-N 1 0 384.261 2.782 20 0 GFADRO O=C(C[NH2+]C[C@@H]1CCCO1)N1CCC(Oc2cccc(Br)c2)CC1 ZINC000580946970 564781198 /nfs/dbraw/zinc/78/11/98/564781198.db2.gz PWTGRBLFHFMGMH-KRWDZBQOSA-N 1 0 397.313 2.588 20 0 GFADRO C[C@H](CCNC(=O)N(C)CCn1cc(Br)cn1)[NH+]1CCCCC1 ZINC000460876143 564783100 /nfs/dbraw/zinc/78/31/00/564783100.db2.gz ABPIIESLWIEMKK-CQSZACIVSA-N 1 0 386.338 2.552 20 0 GFADRO CC(C)[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2cc(Cl)c(F)c(Cl)c2)C1 ZINC000581047921 564785899 /nfs/dbraw/zinc/78/58/99/564785899.db2.gz FYGXCAICJKOZFB-SNVBAGLBSA-N 1 0 376.259 2.918 20 0 GFADRO COCC[N@@H+]1CC[C@H](NC(=O)C(C)(C)[C@@H](O)c2cc(Cl)cc(Cl)c2)C1 ZINC000528470317 564786781 /nfs/dbraw/zinc/78/67/81/564786781.db2.gz DTOPYVYVLFXAHI-HOTGVXAUSA-N 1 0 389.323 2.890 20 0 GFADRO CC(C)(CNC(=O)CNC(=O)c1ccc(Cl)cc1Cl)C[NH+]1CCCC1 ZINC000555413473 564792395 /nfs/dbraw/zinc/79/23/95/564792395.db2.gz ZOQUXPICMOLERX-UHFFFAOYSA-N 1 0 386.323 2.961 20 0 GFADRO Cc1cc(Br)cc(S(=O)(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)c1 ZINC000581190663 564792544 /nfs/dbraw/zinc/79/25/44/564792544.db2.gz WMGCSZBRCJBKQE-AWEZNQCLSA-N 1 0 387.343 2.768 20 0 GFADRO O=C(NC[C@H]1CCCC[N@H+]1CCO)N[C@@H]1COc2c1ccc(Cl)c2Cl ZINC000581236198 564793944 /nfs/dbraw/zinc/79/39/44/564793944.db2.gz NMJLTFYSGSLBQX-BXUZGUMPSA-N 1 0 388.295 2.573 20 0 GFADRO OCC[C@H]([NH2+]Cc1cn(-c2ccc(Cl)cc2Cl)nn1)C1CCOCC1 ZINC000461408840 564795898 /nfs/dbraw/zinc/79/58/98/564795898.db2.gz TYTWHQKYEURLDD-INIZCTEOSA-N 1 0 385.295 2.841 20 0 GFADRO Cn1cc(C[NH2+]C2(Cc3ccc(F)cc3Br)CCOCC2)nn1 ZINC000555545642 564796963 /nfs/dbraw/zinc/79/69/63/564796963.db2.gz AACBGXZFVOEEGZ-UHFFFAOYSA-N 1 0 383.265 2.598 20 0 GFADRO Cc1cc(Br)cn2cc(CNC(=O)NCCC3=CC[NH2+]CC3)nc12 ZINC000581299961 564797071 /nfs/dbraw/zinc/79/70/71/564797071.db2.gz XSAPNMBJWMCDFS-UHFFFAOYSA-N 1 0 392.301 2.514 20 0 GFADRO OC[C@@H]1C[NH+](Cc2c(-c3ccc(Cl)cc3)nc3sccn23)C[C@H]1CO ZINC000528608956 564797456 /nfs/dbraw/zinc/79/74/56/564797456.db2.gz RNHUFEIIAYZXSI-KBPBESRZSA-N 1 0 377.897 2.749 20 0 GFADRO Cc1c([C@@H](C)[NH2+]CCS(=O)(=O)c2ccc(Br)cc2)cnn1C ZINC000492045985 564797718 /nfs/dbraw/zinc/79/77/18/564797718.db2.gz RLKWYRBBMDUZCN-LLVKDONJSA-N 1 0 386.315 2.616 20 0 GFADRO COCCO[C@@H]1COCC[C@@H]1[NH2+][C@H]1CCc2cccc(Br)c2C1 ZINC000555577793 564798600 /nfs/dbraw/zinc/79/86/00/564798600.db2.gz SJXUJQIWVCLXMM-JCGIZDLHSA-N 1 0 384.314 2.717 20 0 GFADRO CC[C@@H](C(=O)N1CCNC(=O)[C@H]1c1ccccc1Br)[NH+](CC)CC ZINC000461479767 564798863 /nfs/dbraw/zinc/79/88/63/564798863.db2.gz LYVODUPJMLEXQI-JKSUJKDBSA-N 1 0 396.329 2.569 20 0 GFADRO CC[C@@H](C(=O)N1CCNC(=O)[C@H]1c1cccc(Br)c1)[NH+](CC)CC ZINC000461490276 564798941 /nfs/dbraw/zinc/79/89/41/564798941.db2.gz LIMZMPBZJVLZSS-JKSUJKDBSA-N 1 0 396.329 2.569 20 0 GFADRO C[NH2+]C[C@H]1CCCN1S(=O)(=O)Cc1cc(Cl)ccc1Br ZINC000581369365 564799250 /nfs/dbraw/zinc/79/92/50/564799250.db2.gz VOUJWXODRZPPQG-GFCCVEGCSA-N 1 0 381.723 2.616 20 0 GFADRO CN1CC[NH2+]C[C@@H]1CNC(=O)Nc1cccc2cccc(Br)c21 ZINC000528701662 564801480 /nfs/dbraw/zinc/80/14/80/564801480.db2.gz FKPWMOYETRHYGZ-CYBMUJFWSA-N 1 0 377.286 2.627 20 0 GFADRO CC1([NH+]2CCOCC2)CCN(C[C@@H](O)c2ccccc2Br)CC1 ZINC000528728077 564802015 /nfs/dbraw/zinc/80/20/15/564802015.db2.gz LFHOHKDPACLOAK-QGZVFWFLSA-N 1 0 383.330 2.669 20 0 GFADRO CC1([NH+]2CCOCC2)CCN(Cc2cc3c(c(Br)c2)OCO3)CC1 ZINC000528730113 564802211 /nfs/dbraw/zinc/80/22/11/564802211.db2.gz VHHJLVOPOIJOJQ-UHFFFAOYSA-N 1 0 397.313 2.865 20 0 GFADRO C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000528761498 564803631 /nfs/dbraw/zinc/80/36/31/564803631.db2.gz YWWGILUDQSHHHL-UBSBXFKZSA-N 1 0 376.266 2.729 20 0 GFADRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N[C@H](C)c1ncc(Br)cn1 ZINC000581465640 564803654 /nfs/dbraw/zinc/80/36/54/564803654.db2.gz RSSBJUIHZBHWMW-JHJVBQTASA-N 1 0 384.322 2.720 20 0 GFADRO C[C@@H](NC(=O)[C@@H](C)N1CC[C@H]2CC[C@@H](C1)S2(=O)=O)c1ccc(Cl)cc1 ZINC000528775752 564804069 /nfs/dbraw/zinc/80/40/69/564804069.db2.gz HZCASCYHNCVDOS-KFZJALRRSA-N 1 0 384.929 2.557 20 0 GFADRO CS(=O)(=O)N1CCC[C@H](C[N@@H+]2CCc3cccc(C(F)(F)F)c3C2)C1 ZINC000528793316 564805194 /nfs/dbraw/zinc/80/51/94/564805194.db2.gz KNBWAXACGVZETJ-CYBMUJFWSA-N 1 0 376.444 2.735 20 0 GFADRO CC(C)[N@H+](C)C[C@@H](C)NC(=O)c1ccc(I)c(F)c1 ZINC000581541439 564807322 /nfs/dbraw/zinc/80/73/22/564807322.db2.gz WSSAFAZOCVOFHM-SNVBAGLBSA-N 1 0 378.229 2.889 20 0 GFADRO O=S(=O)(N[C@@H]1C[C@H]1C1CC[NH2+]CC1)c1ccc(Br)c(Cl)c1 ZINC000461893634 564807760 /nfs/dbraw/zinc/80/77/60/564807760.db2.gz HNRVYRYGCFQLAV-SMDDNHRTSA-N 1 0 393.734 2.769 20 0 GFADRO CN(C)[C@H](C[NH2+]C[C@@H](O)COc1ccc(Br)cc1)c1ccco1 ZINC000555889225 564807825 /nfs/dbraw/zinc/80/78/25/564807825.db2.gz MMSOYXYMOWPPTC-GDBMZVCRSA-N 1 0 383.286 2.674 20 0 GFADRO COC(=O)c1cc(Br)cc(C(=O)NCC[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000461921400 564808653 /nfs/dbraw/zinc/80/86/53/564808653.db2.gz QXBJTMDDRYTHCP-GFCCVEGCSA-N 1 0 383.286 2.697 20 0 GFADRO CCOCCOc1ccc(Br)cc1NC(=O)NC[C@@H](C)[NH+](C)C ZINC000493628484 564810094 /nfs/dbraw/zinc/81/00/94/564810094.db2.gz VKCLYLANGIMODR-GFCCVEGCSA-N 1 0 388.306 2.936 20 0 GFADRO CC[NH+](CC)[C@H](CNC(=O)C(=O)N1CCS[C@H](C)[C@@H]1C)c1ccsc1 ZINC000556058809 564811303 /nfs/dbraw/zinc/81/13/03/564811303.db2.gz DTLUFSGDXAKBJE-SQWLQELKSA-N 1 0 383.583 2.600 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000581666308 564812715 /nfs/dbraw/zinc/81/27/15/564812715.db2.gz RTAXGHKLDAROLI-CYBMUJFWSA-N 1 0 377.286 2.673 20 0 GFADRO COCC[N@@H+]1CC[C@H](NC(=O)C[C@H](C)c2ccc(F)c(Br)c2)C1 ZINC000462052028 564813435 /nfs/dbraw/zinc/81/34/35/564813435.db2.gz IXUJFHHVEISPIM-JSGCOSHPSA-N 1 0 387.293 2.919 20 0 GFADRO Cc1c(C(=O)N2CCC(CC[NH3+])CC2)nnn1-c1cccc(Br)c1 ZINC000581674240 564813473 /nfs/dbraw/zinc/81/34/73/564813473.db2.gz XQJDAVQEJUGDOB-UHFFFAOYSA-N 1 0 392.301 2.539 20 0 GFADRO CCCC[N@H+](C)C[C@H](C)NS(=O)(=O)c1ccc(OC)c(Br)c1 ZINC000581689506 564813665 /nfs/dbraw/zinc/81/36/65/564813665.db2.gz UXPFKNJAUXQWME-LBPRGKRZSA-N 1 0 393.347 2.856 20 0 GFADRO CN1CCN(C(=O)Nc2ccc(Br)c(Cl)c2Cl)[C@@H](C[NH3+])C1 ZINC000581714243 564815563 /nfs/dbraw/zinc/81/55/63/564815563.db2.gz PAPUXWIRUSGHMK-QMMMGPOBSA-N 1 0 396.116 2.863 20 0 GFADRO C[C@H]1CCC[N@H+](CCNS(=O)(=O)CCc2ccccc2Br)C1 ZINC000462082321 564816631 /nfs/dbraw/zinc/81/66/31/564816631.db2.gz BWJWJDREWPULDA-AWEZNQCLSA-N 1 0 389.359 2.643 20 0 GFADRO Brc1cc2c(cc1C[N@@H+]1CC[C@H](c3nnc[nH]3)C1)OCCCO2 ZINC000581814464 564818888 /nfs/dbraw/zinc/81/88/88/564818888.db2.gz VKFMORYJKUOOQD-NSHDSACASA-N 1 0 379.258 2.718 20 0 GFADRO COCC[N@H+](C)C[C@H](O)Cn1cc(Br)c(-c2ccc(C)c(C)c2)n1 ZINC000581835140 564820079 /nfs/dbraw/zinc/82/00/79/564820079.db2.gz NLWZXRNZPSBETO-INIZCTEOSA-N 1 0 396.329 2.869 20 0 GFADRO CSC1(CNS(=O)(=O)c2csc(-c3ccccc3)n2)CC[NH+](C)CC1 ZINC000581853761 564820176 /nfs/dbraw/zinc/82/01/76/564820176.db2.gz VRFBCMZKBLIABJ-UHFFFAOYSA-N 1 0 397.591 2.916 20 0 GFADRO Cc1cccc(CC(=O)N2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)c1Br ZINC000529116685 564820694 /nfs/dbraw/zinc/82/06/94/564820694.db2.gz JWGROIMDEHRIOQ-AWEZNQCLSA-N 1 0 383.330 2.604 20 0 GFADRO C[N@@H+]1CCC[C@H](CNS(=O)(=O)c2cccc(Br)c2Cl)C1 ZINC000556367002 564821684 /nfs/dbraw/zinc/82/16/84/564821684.db2.gz YTUVVOGNNUJIJM-SNVBAGLBSA-N 1 0 381.723 2.723 20 0 GFADRO O=C(NC[C@@H]1CCC[NH2+]C1)[C@H](c1ccc(Br)cc1)N1CCCC1 ZINC000581883176 564821861 /nfs/dbraw/zinc/82/18/61/564821861.db2.gz OUWKFHKEMOYHME-PBHICJAKSA-N 1 0 380.330 2.702 20 0 GFADRO C[C@H](C(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1)c1cccc(Br)c1 ZINC000462146648 564824235 /nfs/dbraw/zinc/82/42/35/564824235.db2.gz OWMAMTZWFQQGNR-GJZGRUSLSA-N 1 0 381.314 2.733 20 0 GFADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]CCn1cnc2ccccc21 ZINC000581948480 564824624 /nfs/dbraw/zinc/82/46/24/564824624.db2.gz OPIHVDKKHGJMJM-CYBMUJFWSA-N 1 0 375.270 2.639 20 0 GFADRO C[C@@H]([NH2+]C[C@@H](C)S(C)(=O)=O)c1ccc(F)c(I)c1 ZINC000556424286 564825211 /nfs/dbraw/zinc/82/52/11/564825211.db2.gz WOVACZYRSJLFCY-RKDXNWHRSA-N 1 0 385.242 2.514 20 0 GFADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)CCc1ncccn1 ZINC000462244510 564828178 /nfs/dbraw/zinc/82/81/78/564828178.db2.gz GWHZRMWDLYOQAG-UHFFFAOYSA-N 1 0 391.313 2.762 20 0 GFADRO O[C@H](COc1cc(F)cc(Br)c1)C[N@@H+]1CCC[C@@H]1[C@@H]1CCCO1 ZINC000556522371 564829380 /nfs/dbraw/zinc/82/93/80/564829380.db2.gz ZTOBVNKULLTRFC-UAGQMJEPSA-N 1 0 388.277 2.971 20 0 GFADRO C[C@@]1(CCNC(=O)N2CCC(CO[C@@H]3CC[NH2+]C3)CC2)CC1(Cl)Cl ZINC000529329887 564829722 /nfs/dbraw/zinc/82/97/22/564829722.db2.gz JEHHHKVZVMQNRK-GDBMZVCRSA-N 1 0 378.344 2.761 20 0 GFADRO O=C(N[C@@H]1CC[NH2+]C12CCC2)N[C@@H]1COc2cc(F)c(Br)cc21 ZINC000529332844 564830611 /nfs/dbraw/zinc/83/06/11/564830611.db2.gz XKARSUSGMTWNRS-TZMCWYRMSA-N 1 0 384.249 2.606 20 0 GFADRO O=C(N[C@@H]1CC[NH2+]C12CCC2)N1CCO[C@H](c2cccc(Br)c2)C1 ZINC000529366666 564830861 /nfs/dbraw/zinc/83/08/61/564830861.db2.gz OHVZKNSTPXSRDL-JKSUJKDBSA-N 1 0 394.313 2.817 20 0 GFADRO C[NH+](C)CCCCC(=O)NC[C@@H](CO)Cc1ccc(F)c(Br)c1 ZINC000582106480 564830905 /nfs/dbraw/zinc/83/09/05/564830905.db2.gz VRDQQXSYDWCJJJ-AWEZNQCLSA-N 1 0 389.309 2.587 20 0 GFADRO C[C@]1(F)C[NH2+]CCN(Cc2nc(Cc3cccc(Br)c3)no2)C1 ZINC000582122850 564831552 /nfs/dbraw/zinc/83/15/52/564831552.db2.gz HFJXOYDTMJBNCP-INIZCTEOSA-N 1 0 383.265 2.556 20 0 GFADRO C[NH+](C)CCOC1CCN(C(=O)NCc2cc(Br)cs2)CC1 ZINC000582141895 564832252 /nfs/dbraw/zinc/83/22/52/564832252.db2.gz KSRBGBNFOMNLCB-UHFFFAOYSA-N 1 0 390.347 2.763 20 0 GFADRO [NH3+]CCC1CCN(C(=O)NCc2ccc(Br)c(F)c2F)CC1 ZINC000529369027 564832266 /nfs/dbraw/zinc/83/22/66/564832266.db2.gz FWJBYOYVYWLNGT-UHFFFAOYSA-N 1 0 376.245 2.998 20 0 GFADRO O=C(N[C@H]1CCC[N@@H+](CCCO)C1)[C@@H]1C[C@H]1c1csc(Br)c1 ZINC000529441336 564836074 /nfs/dbraw/zinc/83/60/74/564836074.db2.gz GBKZDNLXJMJCNK-MELADBBJSA-N 1 0 387.343 2.577 20 0 GFADRO Cc1ccsc1[C@@H](CO)[NH2+]C[C@H](O)COc1ccc(Br)cc1 ZINC000494651179 564836280 /nfs/dbraw/zinc/83/62/80/564836280.db2.gz AQQHUYSLVLNMGD-DZGCQCFKSA-N 1 0 386.311 2.882 20 0 GFADRO CCCC[N@H+](C)C[C@H](C)NS(=O)(=O)c1cc(Br)ccc1OC ZINC000582263661 564838024 /nfs/dbraw/zinc/83/80/24/564838024.db2.gz DYKOEUPRAYMMFW-LBPRGKRZSA-N 1 0 393.347 2.856 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCCN(c2ncnc3cccc(I)c32)C1 ZINC000582291336 564839212 /nfs/dbraw/zinc/83/92/12/564839212.db2.gz GOYIOQQFRHULJY-WDEREUQCSA-N 1 0 382.249 2.798 20 0 GFADRO CNC(=O)[C@@H]1CCC[N@H+](Cc2c[nH]nc2-c2ccc(Br)s2)C1 ZINC000529536050 564840827 /nfs/dbraw/zinc/84/08/27/564840827.db2.gz XPXNJCQKPJMHAA-SNVBAGLBSA-N 1 0 383.315 2.859 20 0 GFADRO CC1(C)CN(Cc2c[nH]nc2-c2ccc(Br)s2)CC[N@@H+]1CCO ZINC000529551940 564841544 /nfs/dbraw/zinc/84/15/44/564841544.db2.gz IOPFLKLCYXIDIC-UHFFFAOYSA-N 1 0 399.358 2.789 20 0 GFADRO COc1ccc(Br)c(CC(=O)N2CCC(OCC[NH+](C)C)CC2)c1 ZINC000494832286 564842255 /nfs/dbraw/zinc/84/22/55/564842255.db2.gz APZCOTKIINHKQC-UHFFFAOYSA-N 1 0 399.329 2.569 20 0 GFADRO CC(C)(C)[C@@H]1NC(=O)CC[C@H]1[NH2+]Cc1cc2c(c(Br)c1)OCO2 ZINC000556845097 564843536 /nfs/dbraw/zinc/84/35/36/564843536.db2.gz VJJYFLISCDIHBX-MLGOLLRUSA-N 1 0 383.286 2.961 20 0 GFADRO O[C@H](C[NH2+]CCOc1ccc2cc(Br)ccc2c1)Cn1cccn1 ZINC000556881756 564845214 /nfs/dbraw/zinc/84/52/14/564845214.db2.gz CYLVSCLPMXDPCF-QGZVFWFLSA-N 1 0 390.281 2.828 20 0 GFADRO Cc1c2cc(Cl)ccc2sc1CNC(=O)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000582447732 564847631 /nfs/dbraw/zinc/84/76/31/564847631.db2.gz ALSPNXBENNATNF-CYBMUJFWSA-N 1 0 379.913 2.642 20 0 GFADRO O=C(C1=Cc2cc(Br)ccc2OC1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000582485395 564848484 /nfs/dbraw/zinc/84/84/84/564848484.db2.gz ZXAAYVPXMAZVET-SFHVURJKSA-N 1 0 377.282 2.827 20 0 GFADRO Cc1c(S(=O)(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)cnn1-c1ccc(Cl)cc1 ZINC000582487544 564848527 /nfs/dbraw/zinc/84/85/27/564848527.db2.gz ZRBAPRBSFCYWGW-HIFRSBDPSA-N 1 0 382.917 2.630 20 0 GFADRO C[NH+](C)Cc1ccc(NC(=O)CCn2cc(Br)ccc2=O)cc1 ZINC000495339735 564853617 /nfs/dbraw/zinc/85/36/17/564853617.db2.gz BVFFCXWOHFERTC-UHFFFAOYSA-N 1 0 378.270 2.701 20 0 GFADRO C[C@@H]([NH2+]CCOc1ccc(S(C)(=O)=O)cc1)c1cncc(Br)c1 ZINC000582617406 564854907 /nfs/dbraw/zinc/85/49/07/564854907.db2.gz NXZMTAYASKFQNW-GFCCVEGCSA-N 1 0 399.310 2.977 20 0 GFADRO CS[C@@H]1CN(C(=O)c2cnn(Cc3ccccc3Cl)c2)C[C@H]1[NH+](C)C ZINC000495581045 564855547 /nfs/dbraw/zinc/85/55/47/564855547.db2.gz SWDWMHXGSAFJLK-IAGOWNOFSA-N 1 0 378.929 2.702 20 0 GFADRO CC1([NH+]2CCOCC2)CCN(C(=O)Cc2sccc2Br)CC1 ZINC000529908493 564856105 /nfs/dbraw/zinc/85/61/05/564856105.db2.gz JJNVGTKUGYHYNN-UHFFFAOYSA-N 1 0 387.343 2.766 20 0 GFADRO C[C@H](CNC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1)Oc1cccc(Br)c1 ZINC000557168717 564856621 /nfs/dbraw/zinc/85/66/21/564856621.db2.gz CATABDKPSJSVLQ-KFWWJZLASA-N 1 0 396.329 2.857 20 0 GFADRO C[C@H](CNc1ncnc2ccc(I)cc21)C[NH+]1CCCC1 ZINC000462784376 564857736 /nfs/dbraw/zinc/85/77/36/564857736.db2.gz FCQUAEOPCOUNEH-GFCCVEGCSA-N 1 0 396.276 3.378 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)C(=O)N[C@H]2CCSc3ccc(Cl)cc32)CC[N@@H+]1C ZINC000557208712 564858419 /nfs/dbraw/zinc/85/84/19/564858419.db2.gz BZMUXRGCHVWGSW-ZLDLUXBVSA-N 1 0 381.929 2.592 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N[C@H]1CCSc2ccc(Cl)cc21 ZINC000557210064 564858620 /nfs/dbraw/zinc/85/86/20/564858620.db2.gz RVESFVDAMDOJLA-ZFWWWQNUSA-N 1 0 381.929 2.594 20 0 GFADRO C[C@H]([NH2+]CC1(O)CCS(=O)(=O)CC1)c1csc(-c2ccccc2F)n1 ZINC000462820900 564859001 /nfs/dbraw/zinc/85/90/01/564859001.db2.gz XVGAEFXFENKODP-LBPRGKRZSA-N 1 0 384.498 2.540 20 0 GFADRO C[NH+](C)C[C@H]1CCN(S(=O)(=O)Cc2cc(Cl)ccc2Br)C1 ZINC000582723173 564858986 /nfs/dbraw/zinc/85/89/86/564858986.db2.gz ZCYVOTNVLBDJCE-LLVKDONJSA-N 1 0 395.750 2.816 20 0 GFADRO CO[C@H]1CCC[C@@H]1C[NH2+]CCS(=O)(=O)c1cccc(Br)c1 ZINC000582720800 564859012 /nfs/dbraw/zinc/85/90/12/564859012.db2.gz ICFJKZXJICBKOL-DOMZBBRYSA-N 1 0 376.316 2.628 20 0 GFADRO O[C@H](C[NH2+]Cc1cc(Cl)cc(Br)c1)COC1CCOCC1 ZINC000582721213 564859025 /nfs/dbraw/zinc/85/90/25/564859025.db2.gz XCNVRAQGDGKWKV-CQSZACIVSA-N 1 0 378.694 2.749 20 0 GFADRO O=S(=O)(CC[NH2+][C@H]1CCCc2ccc(Cl)cc21)NC[C@@H]1CCCCO1 ZINC000557269046 564859479 /nfs/dbraw/zinc/85/94/79/564859479.db2.gz UFHAWUYNZDYAPH-WMZOPIPTSA-N 1 0 386.945 2.796 20 0 GFADRO CN(C)c1cc[nH+]cc1C(=O)NCc1cc(Br)cc2c1OCC2 ZINC000462838067 564859739 /nfs/dbraw/zinc/85/97/39/564859739.db2.gz XPFKLMBTHLWRCJ-UHFFFAOYSA-N 1 0 376.254 2.775 20 0 GFADRO CCCN(CC[NH+](C)C)C(=O)c1ccc(OC)cc1I ZINC000496301887 564860006 /nfs/dbraw/zinc/86/00/06/564860006.db2.gz IEIVGXLPHYPGSU-UHFFFAOYSA-N 1 0 390.265 2.714 20 0 GFADRO C[NH+](C)C[C@H](NC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)c1ccc(Cl)c(Cl)c1 ZINC000530033904 564860414 /nfs/dbraw/zinc/86/04/14/564860414.db2.gz RVIRNEJSVAWCBY-MGBSGCIJSA-N 1 0 387.307 2.764 20 0 GFADRO C[NH+](C)C[C@@H](NC(=O)[C@@H]1CCCN(C(N)=O)C1)c1ccc(Cl)c(Cl)c1 ZINC000530031432 564860663 /nfs/dbraw/zinc/86/06/63/564860663.db2.gz JAAQRIIMAVRJER-IUODEOHRSA-N 1 0 387.311 2.503 20 0 GFADRO C[C@H](C[C@H](C)[NH3+])NC(=O)NCCCOc1ncc(C(F)(F)F)cc1Cl ZINC000582784713 564861476 /nfs/dbraw/zinc/86/14/76/564861476.db2.gz QGGHSBUGJGMJQA-VHSXEESVSA-N 1 0 382.814 2.948 20 0 GFADRO C[C@@H](Oc1ccc(F)cc1Br)C(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000462879089 564861674 /nfs/dbraw/zinc/86/16/74/564861674.db2.gz PPVDLKXXQQOQEB-RIEGTJTDSA-N 1 0 385.277 2.860 20 0 GFADRO C[NH+](C)Cc1ccc(S(=O)(=O)N[C@H](CCO)c2ccc(Cl)cc2)cc1 ZINC000557436886 564863601 /nfs/dbraw/zinc/86/36/01/564863601.db2.gz KRGCPGAEAGRTPU-GOSISDBHSA-N 1 0 382.913 2.804 20 0 GFADRO Cc1cc(CNC(=O)N[C@@H](C)CC[NH+](C)C)ccc1I ZINC000497129866 564863972 /nfs/dbraw/zinc/86/39/72/564863972.db2.gz NPUZBYLDRTXSRY-LBPRGKRZSA-N 1 0 389.281 2.739 20 0 GFADRO CC[NH+](CC)CCCNC(=O)C1CCN(c2ncccc2Br)CC1 ZINC000557494070 564865612 /nfs/dbraw/zinc/86/56/12/564865612.db2.gz IKFRRNFUILCGJG-UHFFFAOYSA-N 1 0 397.361 2.909 20 0 GFADRO NC(=O)[C@@H](NC[C@@H]1CC[N@@H+]1C1CCCCC1)c1ccc(Br)cc1 ZINC000530129127 564865670 /nfs/dbraw/zinc/86/56/70/564865670.db2.gz FFMIMEDZZMQQLX-IRXDYDNUSA-N 1 0 380.330 2.972 20 0 GFADRO CC[N@@H+]1CCN(C(=O)c2cc(=O)[nH]c3c(Br)cccc23)[C@H](C)C1 ZINC000557527932 564866264 /nfs/dbraw/zinc/86/62/64/564866264.db2.gz YEYSLLXZROFSDR-LLVKDONJSA-N 1 0 378.270 2.869 20 0 GFADRO CCO[C@@H]1C[C@](CO)([NH2+]Cc2cccc(I)c2)C1(C)C ZINC000582908556 564866844 /nfs/dbraw/zinc/86/68/44/564866844.db2.gz WBSAGQLJVNZLIK-GDBMZVCRSA-N 1 0 389.277 2.947 20 0 GFADRO [NH3+][C@H]1CCC[C@H](CNC(=O)c2cn(-c3ccc(Br)cc3)cn2)C1 ZINC000582899814 564867021 /nfs/dbraw/zinc/86/70/21/564867021.db2.gz JZBRNDIVDQAHOT-JSGCOSHPSA-N 1 0 377.286 2.882 20 0 GFADRO C[C@H]1C[N@H+](C)C[C@H]1c1nc(COc2ccc(I)cc2)no1 ZINC000463057136 564868042 /nfs/dbraw/zinc/86/80/42/564868042.db2.gz VPMSUMAUDYJVSH-GXFFZTMASA-N 1 0 399.232 2.918 20 0 GFADRO C[C@H](CNC(=O)N1CC[C@H]2CC[N@H+](C)C[C@@H]21)Oc1ccc(Br)cc1 ZINC000497491065 564869244 /nfs/dbraw/zinc/86/92/44/564869244.db2.gz FEXKPTMJZZULKF-CPUCHLNUSA-N 1 0 396.329 2.952 20 0 GFADRO [NH3+]C[C@@H](NS(=O)(=O)Cc1cccc(Br)c1)C1CCCCC1 ZINC000582963955 564870138 /nfs/dbraw/zinc/87/01/38/564870138.db2.gz CXLAZVYPMWMKTQ-OAHLLOKOSA-N 1 0 375.332 2.776 20 0 GFADRO Clc1ccc(CCN2CCN(CC[N@@H+]3CCCOCC3)CC2)cc1Cl ZINC000463164688 564870870 /nfs/dbraw/zinc/87/08/70/564870870.db2.gz OOSWNLONABEERH-UHFFFAOYSA-N 1 0 386.367 2.876 20 0 GFADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)c3c(C)cccc3Br)C2)CC1 ZINC000582997491 564870913 /nfs/dbraw/zinc/87/09/13/564870913.db2.gz BNLVLKCSMOSDHU-OAHLLOKOSA-N 1 0 380.330 2.610 20 0 GFADRO CC[NH+]1CCN(CC(C)(C)NC(=O)c2cc(Br)ccc2OC)CC1 ZINC000583010590 564871620 /nfs/dbraw/zinc/87/16/20/564871620.db2.gz LNRBNHHVRIYWHM-UHFFFAOYSA-N 1 0 398.345 2.604 20 0 GFADRO COc1cc(NC(=O)N2C[C@@H](SC)[C@@H]([NH+](C)C)C2)ccc1Br ZINC000497660476 564872622 /nfs/dbraw/zinc/87/26/22/564872622.db2.gz JHNRHPPFJDLHNV-GXTWGEPZSA-N 1 0 388.331 2.967 20 0 GFADRO CN1C(=O)c2ccccc2[C@@H]1C[NH2+]C[C@H](O)c1cccc(Br)c1 ZINC000530243912 564873102 /nfs/dbraw/zinc/87/31/02/564873102.db2.gz LZZUXNVYFUSJRH-IRXDYDNUSA-N 1 0 375.266 2.899 20 0 GFADRO Brc1cnc(CN[C@@H]2CC[NH2+]C23CCC3)c(Br)c1 ZINC000530244814 564873236 /nfs/dbraw/zinc/87/32/36/564873236.db2.gz PBZNAUFDBYQQAE-GFCCVEGCSA-N 1 0 375.108 2.981 20 0 GFADRO CC[N@@H+]1CCCN(C(=O)NCc2cc(Br)cc3c2OCC3)CC1 ZINC000463254433 564873678 /nfs/dbraw/zinc/87/36/78/564873678.db2.gz JGGVJUYWZLCNHL-UHFFFAOYSA-N 1 0 382.302 2.621 20 0 GFADRO CS[C@H]1CN(CC(=O)Nc2ccc(OC(F)F)c(Cl)c2)C[C@H]1[NH+](C)C ZINC000557724926 564874285 /nfs/dbraw/zinc/87/42/85/564874285.db2.gz ACVUSKYPWPPHAN-OCCSQVGLSA-N 1 0 393.887 2.857 20 0 GFADRO CS(=O)(=O)c1ccc(C[NH2+]CCCCn2cc(Br)cn2)cc1 ZINC000530280931 564874743 /nfs/dbraw/zinc/87/47/43/564874743.db2.gz JEZHKKNXPRHPPH-UHFFFAOYSA-N 1 0 386.315 2.619 20 0 GFADRO CN(Cc1cccc(Br)c1OCC(C)(C)O)C(=O)[C@H]1CC[N@H+](C)C1 ZINC000530341811 564876402 /nfs/dbraw/zinc/87/64/02/564876402.db2.gz IEBAOXAFAVTSIH-AWEZNQCLSA-N 1 0 399.329 2.509 20 0 GFADRO C[C@@H](NC(=O)NCC[N@H+](C)C1CCCCC1)c1ncc(Br)cn1 ZINC000583188609 564880396 /nfs/dbraw/zinc/88/03/96/564880396.db2.gz NJXIDFWQRYCADF-GFCCVEGCSA-N 1 0 384.322 2.864 20 0 GFADRO [NH3+]Cc1cc(C(=O)NC2(c3ccc(Br)cc3)CCOCC2)ccn1 ZINC000463486602 564882489 /nfs/dbraw/zinc/88/24/89/564882489.db2.gz IUQJYBVIWTYZGS-UHFFFAOYSA-N 1 0 390.281 2.739 20 0 GFADRO O=C(N[C@H]1CC[N@@H+](C2CC2)C1)c1c(Cl)cccc1I ZINC000463525797 564883394 /nfs/dbraw/zinc/88/33/94/564883394.db2.gz KBPAUXAAAOKOOB-VIFPVBQESA-N 1 0 390.652 2.911 20 0 GFADRO CC[NH+](CC)CCN(C(=O)c1ncn(C)n1)c1cccc(Br)c1 ZINC000463576207 564884266 /nfs/dbraw/zinc/88/42/66/564884266.db2.gz TWTIMVHYLXAVLQ-UHFFFAOYSA-N 1 0 380.290 2.566 20 0 GFADRO O=C(NCC[NH+]1CCCCCC1)c1cc(Br)c2c(c1)OCCO2 ZINC000498050716 564886117 /nfs/dbraw/zinc/88/61/17/564886117.db2.gz YAGARWKJOFECOT-UHFFFAOYSA-N 1 0 383.286 2.826 20 0 GFADRO C[C@]1(C[NH2+]C[C@@H](O)COc2cccc(Br)c2)CCO[C@H]1C1CC1 ZINC000583317866 564886433 /nfs/dbraw/zinc/88/64/33/564886433.db2.gz CXRXVBHWQSLMCN-BPQIPLTHSA-N 1 0 384.314 2.984 20 0 GFADRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)Cc1ccc(I)cc1 ZINC000558010940 564887751 /nfs/dbraw/zinc/88/77/51/564887751.db2.gz ADWJFVUQIRSWLB-CZUORRHYSA-N 1 0 398.288 2.919 20 0 GFADRO Cc1c(Br)ccnc1NC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000583370798 564888033 /nfs/dbraw/zinc/88/80/33/564888033.db2.gz QGQXPYILCJENSN-CYBMUJFWSA-N 1 0 385.306 2.631 20 0 GFADRO C[C@H]1CN(C(=O)c2c(Cl)cccc2I)C[C@H]1[NH+](C)C ZINC000463774448 564889650 /nfs/dbraw/zinc/88/96/50/564889650.db2.gz IDZVSCFGXXYXIY-JOYOIKCWSA-N 1 0 392.668 2.967 20 0 GFADRO [NH3+][C@@H](CC(F)F)C(=O)NC1CCN(Cc2ccc(Br)cc2)CC1 ZINC000498200901 564891663 /nfs/dbraw/zinc/89/16/63/564891663.db2.gz LBMGUDYNUULMBL-AWEZNQCLSA-N 1 0 390.272 2.512 20 0 GFADRO C[C@]1([NH3+])CCCC[C@H]1C(=O)NCCCNC(=O)c1ccc(Br)cc1 ZINC000498207144 564891845 /nfs/dbraw/zinc/89/18/45/564891845.db2.gz ALRNXGWIQUMHKL-YJBOKZPZSA-N 1 0 396.329 2.593 20 0 GFADRO COc1cc(Br)c(C[NH2+][C@@H]2CCC[C@@H]3CN(C(C)=O)C[C@@H]32)cc1O ZINC000583468103 564893096 /nfs/dbraw/zinc/89/30/96/564893096.db2.gz HIPTWKFNDUXENL-IVMMDQJWSA-N 1 0 397.313 2.900 20 0 GFADRO C[C@@H]1CC[C@@H]([N@H+](CCO)C[C@@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000583468953 564893370 /nfs/dbraw/zinc/89/33/70/564893370.db2.gz RFLJNXNJJGMCBU-DAXOMENPSA-N 1 0 390.293 2.811 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCCN(S(=O)(=O)N(C)C)C1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000558252725 564896228 /nfs/dbraw/zinc/89/62/28/564896228.db2.gz QOXYQVPEQHCDDQ-RFQIPJPRSA-N 1 0 391.990 2.754 20 0 GFADRO C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)NCC[N@@H+]1CCC[C@H](C)C1 ZINC000498345896 564896356 /nfs/dbraw/zinc/89/63/56/564896356.db2.gz TVLOLVUESQIQSV-STQMWFEESA-N 1 0 386.323 2.960 20 0 GFADRO CC[N@@H+]1C[C@H](C)N(C(=O)Cc2ccccc2I)C[C@H]1C ZINC000498552827 564901758 /nfs/dbraw/zinc/90/17/58/564901758.db2.gz CKUSOOQOPKUFLZ-OLZOCXBDSA-N 1 0 386.277 2.775 20 0 GFADRO CC[C@@H](NC(=O)c1ccc(C[NH+]2CCSCC2)cc1)[C@@H](O)C(F)(F)F ZINC000498583202 564903311 /nfs/dbraw/zinc/90/33/11/564903311.db2.gz HSWSYAZHRLRWEN-HUUCEWRRSA-N 1 0 376.444 2.667 20 0 GFADRO Cc1cc(N2CCC[C@H]([N@@H+]3CC[C@H]([C@H](C)O)C3)C2=O)ccc1Br ZINC000464490784 564908415 /nfs/dbraw/zinc/90/84/15/564908415.db2.gz OUBRPNIONASXDZ-ZQIUZPCESA-N 1 0 381.314 2.956 20 0 GFADRO Cc1cc(NCC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)ccc1Br ZINC000531387715 564909608 /nfs/dbraw/zinc/90/96/08/564909608.db2.gz UJFRKUAJQZFBRM-INIZCTEOSA-N 1 0 398.345 2.642 20 0 GFADRO C[C@@]1(CNC(=O)N2CCO[C@H](c3ccc(Br)cc3)C2)CCC[NH2+]C1 ZINC000583921577 564912528 /nfs/dbraw/zinc/91/25/28/564912528.db2.gz OXMSDLZJGANBAB-FUHWJXTLSA-N 1 0 396.329 2.922 20 0 GFADRO C[C@H]1CC[N@H+](C)CCN1C(=O)Nc1cc(Br)cnc1-n1cccn1 ZINC000498957696 564913964 /nfs/dbraw/zinc/91/39/64/564913964.db2.gz QOLDSAYLRNGAST-LBPRGKRZSA-N 1 0 393.289 2.588 20 0 GFADRO COc1nnc(NC(=O)N2CCN([C@@H](C)c3ccc(Cl)cc3)CC2)s1 ZINC000558813051 564915918 /nfs/dbraw/zinc/91/59/18/564915918.db2.gz YZNGRRZAAFHMEU-NSHDSACASA-N 1 0 381.889 3.111 20 0 GFADRO C[C@@H](O)[C@H]([NH2+][C@H](C)Cn1cc(Br)ccc1=O)c1ccccc1F ZINC000583999029 564916173 /nfs/dbraw/zinc/91/61/73/564916173.db2.gz SLXBUNVCOWACBO-QFSBIZTOSA-N 1 0 383.261 2.850 20 0 GFADRO O=S(=O)(c1cccc(OC(F)(F)F)c1)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000584044040 564918035 /nfs/dbraw/zinc/91/80/35/564918035.db2.gz MSIMAAUSLSJTEA-IUODEOHRSA-N 1 0 378.416 2.738 20 0 GFADRO C[C@@H]1C[C@H]([NH2+]CCNC(=O)c2cnccn2)c2cccc(Br)c21 ZINC000531708777 564918031 /nfs/dbraw/zinc/91/80/31/564918031.db2.gz ZGIFFOUAIMCMJI-RISCZKNCSA-N 1 0 375.270 2.807 20 0 GFADRO CC[N@@H+](CC(=O)N(C)CC(=O)Nc1ccc(Br)cc1C)CC1CC1 ZINC000499127346 564919378 /nfs/dbraw/zinc/91/93/78/564919378.db2.gz PFQUZXBULSPINA-UHFFFAOYSA-N 1 0 396.329 2.886 20 0 GFADRO CSc1ccc([C@H](CNC(=O)C2CN(CC(F)(F)F)C2)[NH+](C)C)cc1 ZINC000584135337 564922190 /nfs/dbraw/zinc/92/21/90/564922190.db2.gz AYEKAVYHJHDVNI-HNNXBMFYSA-N 1 0 375.460 2.622 20 0 GFADRO COc1cc(Cl)c(S(=O)(=O)N2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc1OC ZINC000584163661 564923447 /nfs/dbraw/zinc/92/34/47/564923447.db2.gz WQGIFDUMEAAYKW-JSGCOSHPSA-N 1 0 388.917 2.510 20 0 GFADRO C[C@@H]1C[C@H](N(C)S(=O)(=O)c2c(F)cccc2OC(F)(F)F)CC[N@@H+]1C ZINC000584164112 564923474 /nfs/dbraw/zinc/92/34/74/564923474.db2.gz FWHQXSQTYBREDG-GHMZBOCLSA-N 1 0 384.395 2.828 20 0 GFADRO COc1ccc(C(=O)NC[C@@H](C)[NH+]2CCCC2)cc1I ZINC000531929814 564924982 /nfs/dbraw/zinc/92/49/82/564924982.db2.gz VXGDWADDWRUCHO-LLVKDONJSA-N 1 0 388.249 2.514 20 0 GFADRO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N[C@H](c1ccc(Br)cc1)C1CCC1 ZINC000584232238 564927130 /nfs/dbraw/zinc/92/71/30/564927130.db2.gz LIFBNYNFRGGMSJ-MKBNYLNASA-N 1 0 396.329 2.649 20 0 GFADRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)Cc2cccc(I)c2)C1 ZINC000532111244 564929819 /nfs/dbraw/zinc/92/98/19/564929819.db2.gz XPSYILAWLOGHKC-AWEZNQCLSA-N 1 0 386.277 2.680 20 0 GFADRO C[C@H]1C[C@@H](NC(=O)NCCC(=O)Nc2ccc(Br)cc2)CC[N@@H+]1C ZINC000465707385 564931448 /nfs/dbraw/zinc/93/14/48/564931448.db2.gz HZBODHDEAXIXCF-WFASDCNBSA-N 1 0 397.317 2.560 20 0 GFADRO CC[N@H+](CCNC(=O)C(=O)N[C@@H](C)c1cc(F)c(Cl)cc1Cl)C1CC1 ZINC000559409286 564932149 /nfs/dbraw/zinc/93/21/49/564932149.db2.gz KXHDNIKJWSDLIX-JTQLQIEISA-N 1 0 390.286 2.910 20 0 GFADRO C[NH+]1CCN(C[C@@H](Nc2ncncc2Br)c2ccccc2)CC1 ZINC000532205979 564932399 /nfs/dbraw/zinc/93/23/99/564932399.db2.gz NTIABYRVRVFTGU-MRXNPFEDSA-N 1 0 376.302 2.640 20 0 GFADRO CC[NH+](CC)[C@@H](CNC(=O)C(=O)NCCc1cccs1)c1ccsc1 ZINC000559434180 564933017 /nfs/dbraw/zinc/93/30/17/564933017.db2.gz JBQQKIBZRLTTPE-INIZCTEOSA-N 1 0 379.551 2.668 20 0 GFADRO COc1ccc(C(=O)NC[C@@H](C)[NH+]2CCCC2)c(I)c1 ZINC000532384385 564936342 /nfs/dbraw/zinc/93/63/42/564936342.db2.gz HJZRGMADFZZUCX-LLVKDONJSA-N 1 0 388.249 2.514 20 0 GFADRO C[C@@H](CNC(=O)N1CC[C@H]([NH+]2CC=CC2)C1)Oc1cccc(Br)c1 ZINC000466303519 564937330 /nfs/dbraw/zinc/93/73/30/564937330.db2.gz VAIUSBYAOVNXIN-HOCLYGCPSA-N 1 0 394.313 2.872 20 0 GFADRO CC(C)[N@H+](C)CC1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cn2)CC1 ZINC000532449194 564938099 /nfs/dbraw/zinc/93/80/99/564938099.db2.gz YGFVUSWTZJWSBE-UHFFFAOYSA-N 1 0 379.448 2.841 20 0 GFADRO CN(CCC[NH+]1CCCC1)CC(=O)N(C)Cc1cc(Br)cs1 ZINC000499925702 564940302 /nfs/dbraw/zinc/94/03/02/564940302.db2.gz DFXKBOKFMQMAFU-UHFFFAOYSA-N 1 0 388.375 2.887 20 0 GFADRO C[C@H]([NH2+]C[C@H](O)COCc1cccs1)C1CCN(CC(F)(F)F)CC1 ZINC000559792211 564940742 /nfs/dbraw/zinc/94/07/42/564940742.db2.gz GRDKHTBHXNNOBU-ZFWWWQNUSA-N 1 0 380.476 2.878 20 0 GFADRO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@@H](CO)Cc1ccc(F)cc1 ZINC000559895043 564941352 /nfs/dbraw/zinc/94/13/52/564941352.db2.gz WRWQFUIVVPBIEK-ZFWWWQNUSA-N 1 0 397.288 2.579 20 0 GFADRO CN(CC[NH+]1CCCC1)C(=O)c1cccc(F)c1I ZINC000532754235 564944347 /nfs/dbraw/zinc/94/43/47/564944347.db2.gz DCHPPQHRPYUCEA-UHFFFAOYSA-N 1 0 376.213 2.598 20 0 GFADRO C[NH+](C)[C@@H]1CCCN(C(=O)c2cccc(F)c2I)C1 ZINC000533085153 564953311 /nfs/dbraw/zinc/95/33/11/564953311.db2.gz ZAQUUGQWEVCOFD-SNVBAGLBSA-N 1 0 376.213 2.597 20 0 GFADRO CCC(=O)N[C@H]1CCC[N@H+](C[C@@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000500468496 564954016 /nfs/dbraw/zinc/95/40/16/564954016.db2.gz CPRJWNYUAPYCJF-QWHCGFSZSA-N 1 0 375.296 2.724 20 0 GFADRO CS(=O)(=O)NC[C@@H]1CCC[C@@H]1[NH2+]Cc1cc(Cl)ccc1OC(F)F ZINC000500527085 564956049 /nfs/dbraw/zinc/95/60/49/564956049.db2.gz CYVUMRJDYRGABT-GWCFXTLKSA-N 1 0 382.860 2.749 20 0 GFADRO COc1c(Cl)cc(Cl)cc1C[NH2+][C@H]1CCC[C@H]1CNS(C)(=O)=O ZINC000500534752 564956067 /nfs/dbraw/zinc/95/60/67/564956067.db2.gz PECBXMUTICPMMG-HZMBPMFUSA-N 1 0 381.325 2.810 20 0 GFADRO CCSc1nnc(NC(=O)N[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)s1 ZINC000467216053 564958261 /nfs/dbraw/zinc/95/82/61/564958261.db2.gz JPIAJXGEKAYMNH-JSGCOSHPSA-N 1 0 377.539 3.435 20 0 GFADRO CN1CC[NH+](CCCCNC(=O)[C@@H]2C[C@@H]2c2ccc(Br)cc2)CC1 ZINC000560361196 564958369 /nfs/dbraw/zinc/95/83/69/564958369.db2.gz OXWOFXJTHFLDCL-QZTJIDSGSA-N 1 0 394.357 2.696 20 0 GFADRO CC[C@@H]1C[C@H](C)C[N@@H+]1CC(=O)NCC(=O)Nc1ccccc1Br ZINC000467212414 564958525 /nfs/dbraw/zinc/95/85/25/564958525.db2.gz WWXFVKFOUFAUHB-QWHCGFSZSA-N 1 0 382.302 2.624 20 0 GFADRO C[N@H+](CCC(=O)Nc1c(Cl)cccc1Cl)C[C@@H]1CCS(=O)(=O)C1 ZINC000533291788 564960185 /nfs/dbraw/zinc/96/01/85/564960185.db2.gz FWVPYDBNLGOMNN-NSHDSACASA-N 1 0 379.309 2.689 20 0 GFADRO CNS(=O)(=O)[C@@H]1CCC[N@H+](CC/C=C/c2ccc(Br)cc2)C1 ZINC000533382108 564961396 /nfs/dbraw/zinc/96/13/96/564961396.db2.gz BAGZBCBRMMAOPR-OUGHUQCRSA-N 1 0 387.343 2.866 20 0 GFADRO C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+]C[C@H]1CCC[C@@H]1NS(C)(=O)=O ZINC000467359121 564961937 /nfs/dbraw/zinc/96/19/37/564961937.db2.gz AZHBDRDYLCDUFT-XPKDYRNWSA-N 1 0 378.460 2.944 20 0 GFADRO CN1CC[C@](O)(C[NH2+][C@@H](c2cccc(Br)c2)C2CCOCC2)C1 ZINC000467401378 564962869 /nfs/dbraw/zinc/96/28/69/564962869.db2.gz ZDBIAHYALJRZDI-MSOLQXFVSA-N 1 0 383.330 2.573 20 0 GFADRO CC[NH+](CC)CCCCNC(=O)[C@@H](C)NC(=O)c1ccc(Br)cc1 ZINC000500820723 564963816 /nfs/dbraw/zinc/96/38/16/564963816.db2.gz GUEXIGONMSFPRW-CQSZACIVSA-N 1 0 398.345 2.806 20 0 GFADRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1S(=O)(=O)c1ccc(OC(F)(F)F)cc1 ZINC000560472140 564963893 /nfs/dbraw/zinc/96/38/93/564963893.db2.gz IZQXYDMZLTWETA-STQMWFEESA-N 1 0 378.416 2.833 20 0 GFADRO C[NH+](C)[C@@]1(CNC(=O)N2CCO[C@H](c3cccc(Cl)c3)C2)CCSC1 ZINC000467470886 564964012 /nfs/dbraw/zinc/96/40/12/564964012.db2.gz ZYASRTAYQHLZSC-FUHWJXTLSA-N 1 0 383.945 2.860 20 0 GFADRO O=c1cc(C[N@@H+]2CCC[C@H]([C@H]3CCOC3)C2)nc2ccc(Br)cn12 ZINC000533539053 564965121 /nfs/dbraw/zinc/96/51/21/564965121.db2.gz PBGKJDFWFNKYOP-KBPBESRZSA-N 1 0 392.297 2.706 20 0 GFADRO COc1c(O)cccc1C[NH2+]CCCNS(=O)(=O)c1ccccc1Cl ZINC000467514059 564965709 /nfs/dbraw/zinc/96/57/09/564965709.db2.gz OWTHDILCPDTLTA-UHFFFAOYSA-N 1 0 384.885 2.512 20 0 GFADRO C[C@H]1CC[N@H+](CCNC(=O)c2cc(Br)cnc2OCC2CC2)C1 ZINC000560548918 564967242 /nfs/dbraw/zinc/96/72/42/564967242.db2.gz KJLDUBJQOLNWCM-LBPRGKRZSA-N 1 0 382.302 2.705 20 0 GFADRO C[C@@H]([NH2+][C@@H](C)c1ccc(I)cc1)C1(S(C)(=O)=O)CC1 ZINC000560580733 564969306 /nfs/dbraw/zinc/96/93/06/564969306.db2.gz IRVGENJWGMIDNG-WDEREUQCSA-N 1 0 393.290 2.908 20 0 GFADRO C[C@H](NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)c1nc(C(F)(F)F)cs1 ZINC000467731282 564971145 /nfs/dbraw/zinc/97/11/45/564971145.db2.gz AWMPPRJRBFLSNT-NWDGAFQWSA-N 1 0 378.464 2.755 20 0 GFADRO O=C(Nc1cccc(C[N@H+]2CC[C@@H](O)C2)c1)c1ccc(Br)cn1 ZINC000560677072 564971617 /nfs/dbraw/zinc/97/16/17/564971617.db2.gz RLYPWJDRMMBITQ-OAHLLOKOSA-N 1 0 376.254 2.663 20 0 GFADRO C[NH+](C)CC1CCN(S(=O)(=O)Cc2ccc(Br)cc2)CC1 ZINC000501154424 564972173 /nfs/dbraw/zinc/97/21/73/564972173.db2.gz HDZHMRZMCAQPDO-UHFFFAOYSA-N 1 0 375.332 2.553 20 0 GFADRO COc1cc(Cl)c(S(=O)(=O)N2CCC(C[NH+](C)C)CC2)cc1Cl ZINC000501183726 564973190 /nfs/dbraw/zinc/97/31/90/564973190.db2.gz FDDYZTMPFMFBPL-UHFFFAOYSA-N 1 0 381.325 2.964 20 0 GFADRO COCC[NH+](CCOC)C1CCN(C(=O)CCc2cc(Cl)cs2)CC1 ZINC000560765924 564975563 /nfs/dbraw/zinc/97/55/63/564975563.db2.gz LHCRKQBJVGAUFZ-UHFFFAOYSA-N 1 0 388.961 2.920 20 0 GFADRO NC(=O)NC(=O)CCC[N@@H+]1CCCC[C@@H]1Cc1ccccc1Br ZINC000561064424 564982563 /nfs/dbraw/zinc/98/25/63/564982563.db2.gz FLVGHWCSFMREEK-CQSZACIVSA-N 1 0 382.302 2.821 20 0 GFADRO CS[C@@H]1CN(CC(=O)Nc2ccc(Br)cc2C)C[C@@H]1[NH+](C)C ZINC000534215735 564983050 /nfs/dbraw/zinc/98/30/50/564983050.db2.gz NIOOKXMNZQNOIH-LSDHHAIUSA-N 1 0 386.359 2.673 20 0 GFADRO C[N@H+](CC(=O)N[C@@H]1COc2cc(F)c(Br)cc21)[C@@H]1CCSC1 ZINC000501676080 564984091 /nfs/dbraw/zinc/98/40/91/564984091.db2.gz CLYTTYWZAXFOGB-NOZJJQNGSA-N 1 0 389.290 2.575 20 0 GFADRO C[C@H](CCNC(=O)NCCCn1cc(Br)cn1)[NH+]1CCCCC1 ZINC000501877099 564987282 /nfs/dbraw/zinc/98/72/82/564987282.db2.gz ZHKAUNDQSGXNMJ-CQSZACIVSA-N 1 0 386.338 2.599 20 0 GFADRO C[C@H](O)C[N@@H+]1CCN(Cc2nnc(-c3c(Cl)cccc3Cl)o2)[C@H](C)C1 ZINC000501947851 564988689 /nfs/dbraw/zinc/98/86/89/564988689.db2.gz PFOPLUCFUKIQFZ-NEPJUHHUSA-N 1 0 385.295 2.930 20 0 GFADRO Cc1ccc(Br)cc1-c1nnc(N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)s1 ZINC000468707686 564990708 /nfs/dbraw/zinc/99/07/08/564990708.db2.gz AUYXSJFHSRFGRI-KGLIPLIRSA-N 1 0 395.326 2.795 20 0 GFADRO CCN(Cc1cc(Br)ccc1F)C(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC000502058575 564990929 /nfs/dbraw/zinc/99/09/29/564990929.db2.gz ZEFKXBDIKGDFFA-ZDUSSCGKSA-N 1 0 387.293 2.905 20 0 GFADRO COc1ccc(C[NH2+]CCC2CCS(=O)(=O)CC2)c(Br)c1 ZINC000561313904 564990941 /nfs/dbraw/zinc/99/09/41/564990941.db2.gz FDSKERMIEQEVJE-UHFFFAOYSA-N 1 0 376.316 2.762 20 0 GFADRO O[C@H](C[NH2+]Cc1cc(Br)c2c(c1)OCCO2)COc1ccccc1 ZINC000561334551 564991298 /nfs/dbraw/zinc/99/12/98/564991298.db2.gz MDHQXIQPBBHBRH-CQSZACIVSA-N 1 0 394.265 2.750 20 0 GFADRO C[C@@H]([NH2+][C@@H]1CCCN(S(=O)(=O)N(C)C)C1)c1cc(Cl)cc(Cl)c1 ZINC000561349630 564992128 /nfs/dbraw/zinc/99/21/28/564992128.db2.gz XSELUZUSVVAZHB-IAQYHMDHSA-N 1 0 380.341 2.915 20 0 GFADRO COCC[N@@H+]1CCCN(C(=O)c2cc(Br)cc3cccnc32)CC1 ZINC000534640515 564994203 /nfs/dbraw/zinc/99/42/03/564994203.db2.gz OMCVTGPACIEVPR-UHFFFAOYSA-N 1 0 392.297 2.792 20 0 GFADRO CC[C@H](CO)[NH+]1CCN(C(=O)CCCOc2cccc(Br)c2)CC1 ZINC000534714044 564994812 /nfs/dbraw/zinc/99/48/12/564994812.db2.gz JZMOATOTZPNJKI-MRXNPFEDSA-N 1 0 399.329 2.523 20 0 GFADRO COc1ccc([C@H](C)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)c(Br)c1 ZINC000561469134 564995909 /nfs/dbraw/zinc/99/59/09/564995909.db2.gz ZYLNCESDWAWEKJ-UONOGXRCSA-N 1 0 398.345 2.696 20 0 GFADRO CCc1n[nH]c(C(=O)NCC[N@H+](C)Cc2ccc(F)cc2)c1Br ZINC000468856904 564995926 /nfs/dbraw/zinc/99/59/26/564995926.db2.gz FCACXFMEVKXIIB-UHFFFAOYSA-N 1 0 383.265 2.736 20 0 GFADRO CC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CC(=O)Nc3ccc(Br)cc32)C1 ZINC000468867181 564996926 /nfs/dbraw/zinc/99/69/26/564996926.db2.gz GTJPBBHAEVXHFX-WFASDCNBSA-N 1 0 394.313 2.723 20 0 GFADRO COc1nc(N2CC[NH+](CCc3ccccc3)CC2)ncc1Br ZINC000468903596 564998393 /nfs/dbraw/zinc/99/83/93/564998393.db2.gz GUCIIVHTGIHDFZ-UHFFFAOYSA-N 1 0 377.286 2.612 20 0 GFADRO C[C@@H]1C[C@H](NS(=O)(=O)c2cc(Br)cc3cccnc32)CC[N@@H+]1C ZINC000561519291 564999032 /nfs/dbraw/zinc/99/90/32/564999032.db2.gz QGEIXSOGRORMMJ-BXUZGUMPSA-N 1 0 398.326 2.758 20 0 GFADRO COc1cc(Cl)c(S(=O)(=O)N2CC[C@H]([NH+]3CCCC3)[C@@H]2C)cc1OC ZINC000561552382 565001281 /nfs/dbraw/zinc/00/12/81/565001281.db2.gz OGIDRSKGWZKGET-JSGCOSHPSA-N 1 0 388.917 2.605 20 0 GFADRO O=c1cc(C[N@@H+]2CC[C@@H](C3CCOCC3)C2)nc2ccc(Br)cn12 ZINC000535114915 565005078 /nfs/dbraw/zinc/00/50/78/565005078.db2.gz CFGFUZQMZAKEKN-CQSZACIVSA-N 1 0 392.297 2.706 20 0 GFADRO CC[NH+](CC)CCSCC(=O)N[C@@H]1CC(=O)N(c2ccccc2Cl)C1 ZINC000469204118 565009238 /nfs/dbraw/zinc/00/92/38/565009238.db2.gz HVVJJLGXZXWZLU-CQSZACIVSA-N 1 0 383.945 2.637 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cncc(I)c2)C[C@@H]1C ZINC000535291470 565009601 /nfs/dbraw/zinc/00/96/01/565009601.db2.gz AZTJXYIWUJZFMK-FZMZJTMJSA-N 1 0 387.265 2.631 20 0 GFADRO COCC[N@@H+]1CC[C@H](NC(=O)NC(C)(C)c2ccccc2Br)C1 ZINC000535307932 565010627 /nfs/dbraw/zinc/01/06/27/565010627.db2.gz MAFSVKMLIQIPAM-ZDUSSCGKSA-N 1 0 384.318 2.704 20 0 GFADRO C[C@H]1CC[N@H+](C)CCN1C(=O)NCCC(=O)Nc1ccc(Br)cc1 ZINC000503079593 565011446 /nfs/dbraw/zinc/01/14/46/565011446.db2.gz BDQRWZLSVRDJKD-ZDUSSCGKSA-N 1 0 397.317 2.513 20 0 GFADRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C[C@H](O)COc1ccc(Br)cc1 ZINC000561898428 565013146 /nfs/dbraw/zinc/01/31/46/565013146.db2.gz AZKHMLFLAVWXTF-UWWQBHOKSA-N 1 0 383.330 2.747 20 0 GFADRO COC(=O)[C@]1(C)C[N@@H+]([C@H]2CCN(c3cccc(Br)c3)C2=O)C[C@H]1C ZINC000503244678 565015950 /nfs/dbraw/zinc/01/59/50/565015950.db2.gz QQGHUEFOSLFCKS-HNJNHCNJSA-N 1 0 395.297 2.685 20 0 GFADRO CC[NH+](CC)CCN(CCOC)C(=O)c1cc(Br)cc2nc[nH]c21 ZINC000503289895 565016845 /nfs/dbraw/zinc/01/68/45/565016845.db2.gz VVJQJAQJYBVOEX-UHFFFAOYSA-N 1 0 397.317 2.756 20 0 GFADRO CN(C)c1cc(Cl)cc(Cl)c1C[NH2+]C[C@@H]1CCC[C@@H]1NS(C)(=O)=O ZINC000562071767 565017210 /nfs/dbraw/zinc/01/72/10/565017210.db2.gz QLKSGJMHYKAMNR-NHYWBVRUSA-N 1 0 394.368 2.867 20 0 GFADRO CC[N@H+](CCO)CCNC(=O)Nc1cc(Cl)ccc1OCC(F)(F)F ZINC000469466292 565017923 /nfs/dbraw/zinc/01/79/23/565017923.db2.gz IGHUFKMQDFPLRZ-UHFFFAOYSA-N 1 0 383.798 2.717 20 0 GFADRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1ccc(Br)c2c1OCCC2 ZINC000469615939 565022359 /nfs/dbraw/zinc/02/23/59/565022359.db2.gz UFUHQAIZVCJGJA-BDJLRTHQSA-N 1 0 379.298 2.987 20 0 GFADRO C[NH+](C)CCN1CCN(C(=O)c2cc(F)c(Br)c(Cl)c2)CC1 ZINC000503659205 565025671 /nfs/dbraw/zinc/02/56/71/565025671.db2.gz LJOJZZIMWOTSRY-UHFFFAOYSA-N 1 0 392.700 2.561 20 0 GFADRO C[C@@H](CNC(=O)c1cncc(I)c1)[N@@H+]1CCCC[C@@H]1C ZINC000535999348 565026443 /nfs/dbraw/zinc/02/64/43/565026443.db2.gz SZXSXCJHBJVQIO-RYUDHWBXSA-N 1 0 387.265 2.679 20 0 GFADRO OCCOC1CC[NH+](Cc2ccnc(-c3ccc(Br)cc3)n2)CC1 ZINC000536003506 565026554 /nfs/dbraw/zinc/02/65/54/565026554.db2.gz MZRXKICEHUXLQZ-UHFFFAOYSA-N 1 0 392.297 2.879 20 0 GFADRO O=C(NCCNc1cc[nH+]cc1)C(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000536019872 565026727 /nfs/dbraw/zinc/02/67/27/565026727.db2.gz ZZRYEDAPOHTOKN-UHFFFAOYSA-N 1 0 387.654 2.631 20 0 GFADRO CCOc1ccc(Br)cc1NC(=O)NCCNc1cc[nH+]cc1 ZINC000536017958 565027446 /nfs/dbraw/zinc/02/74/46/565027446.db2.gz NSDSOIQQZZDZMC-UHFFFAOYSA-N 1 0 379.258 2.898 20 0 GFADRO O=C(CCn1cc(Cl)cn1)NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000469836352 565029206 /nfs/dbraw/zinc/02/92/06/565029206.db2.gz LDPHKQRPAUYLTG-QGZVFWFLSA-N 1 0 378.929 2.660 20 0 GFADRO C[C@@H]1OCC[C@@H]1C(=O)Nc1cc(Br)ccc1N1CC[NH+](C)CC1 ZINC000536143542 565030329 /nfs/dbraw/zinc/03/03/29/565030329.db2.gz HELNDSWSESYCFT-JSGCOSHPSA-N 1 0 382.302 2.564 20 0 GFADRO CCOc1c(Br)cc(CN2CC[C@H](OC)C[C@@H]2C[NH3+])cc1OC ZINC000469876589 565031237 /nfs/dbraw/zinc/03/12/37/565031237.db2.gz WNTRWMICUXFTKB-KGLIPLIRSA-N 1 0 387.318 2.795 20 0 GFADRO CC[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)NCC[N@H+](CC)CCO ZINC000470055507 565036403 /nfs/dbraw/zinc/03/64/03/565036403.db2.gz GRCIVNSEHNBOJK-HNNXBMFYSA-N 1 0 376.328 2.928 20 0 GFADRO C[C@H]1C[N@H+](CCCNC(=O)CCOc2cccc(Br)c2)CCCO1 ZINC000470084592 565038260 /nfs/dbraw/zinc/03/82/60/565038260.db2.gz ZJVJBBJFFWSKRS-HNNXBMFYSA-N 1 0 399.329 2.835 20 0 GFADRO O=C(CC[N@@H+]1C[C@H](O)C[C@@H]1[C@H]1CCCOC1)Nc1ccccc1Br ZINC000562707139 565038801 /nfs/dbraw/zinc/03/88/01/565038801.db2.gz IKHWIIXWQHCRBL-JJRVBVJISA-N 1 0 397.313 2.640 20 0 GFADRO CC[C@H](Cc1ccccc1Br)NC(=O)N[C@@H]1CC[N@H+](CCOC)C1 ZINC000470181389 565040447 /nfs/dbraw/zinc/04/04/47/565040447.db2.gz BVCOPIKACLJLMK-HZPDHXFCSA-N 1 0 398.345 2.790 20 0 GFADRO CN(C(=O)Nc1ccc(I)cc1Cl)[C@H]1CC[NH2+]C1 ZINC000562745203 565041698 /nfs/dbraw/zinc/04/16/98/565041698.db2.gz ADBJLQPUWNYPFQ-VIFPVBQESA-N 1 0 379.629 2.770 20 0 GFADRO CS[C@H]1CN(c2ncc(C(=O)N3CCCCC3)cc2Cl)C[C@@H]1[NH+](C)C ZINC000536629261 565043602 /nfs/dbraw/zinc/04/36/02/565043602.db2.gz WHJXJGFWCCMTHN-HOTGVXAUSA-N 1 0 382.961 2.843 20 0 GFADRO C[C@H](NC(=O)N[C@H]1CCN(c2ccc(Br)cc2)C1)[C@@H]1CCC[NH2+]C1 ZINC000562800473 565043716 /nfs/dbraw/zinc/04/37/16/565043716.db2.gz PLAVCBRPJXKJQW-LZWOXQAQSA-N 1 0 395.345 2.715 20 0 GFADRO C[C@H](CNC(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)Oc1ccc(Br)cc1 ZINC000562804384 565043903 /nfs/dbraw/zinc/04/39/03/565043903.db2.gz CVCFZYXNOIMSHX-HGTKMLMNSA-N 1 0 396.329 2.904 20 0 GFADRO C[C@H](CNC(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1)Oc1ccccc1Br ZINC000562810441 565043990 /nfs/dbraw/zinc/04/39/90/565043990.db2.gz VGFPYXPKTWSIDS-IVMMDQJWSA-N 1 0 396.329 2.904 20 0 GFADRO Cc1ccc(Br)c(S(=O)(=O)NCC[NH2+]C2CC(C)(C)C2)c1 ZINC000562854703 565045673 /nfs/dbraw/zinc/04/56/73/565045673.db2.gz IKPPQQGXZLPHJA-UHFFFAOYSA-N 1 0 375.332 2.814 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCC[C@@H](S(C)(=O)=O)C1)c1ccc(-n2cncn2)cc1Cl ZINC000536879168 565048196 /nfs/dbraw/zinc/04/81/96/565048196.db2.gz VFFYCGVNFYCIHO-GZBFAFLISA-N 1 0 382.917 2.927 20 0 GFADRO O=S(=O)(CC[NH2+][C@@H]1CCN(c2ncccc2Cl)C1)c1ccc(F)cc1 ZINC000562992321 565051178 /nfs/dbraw/zinc/05/11/78/565051178.db2.gz UHFKQKNQXOVEQI-CQSZACIVSA-N 1 0 383.876 2.516 20 0 GFADRO O=C(Cc1noc2ccc(Br)cc21)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000562994490 565051380 /nfs/dbraw/zinc/05/13/80/565051380.db2.gz AMGXEDZWIIQPHW-LLVKDONJSA-N 1 0 378.270 2.733 20 0 GFADRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)Nc1cc(F)c(Br)c(F)c1 ZINC000537082168 565052576 /nfs/dbraw/zinc/05/25/76/565052576.db2.gz UXDIRDYRDLPVNV-SECBINFHSA-N 1 0 392.244 2.512 20 0 GFADRO CC(C)NC(=O)NCC[NH2+][C@H](C)c1cc2c(cc1Br)OCCO2 ZINC000563061363 565054277 /nfs/dbraw/zinc/05/42/77/565054277.db2.gz GSADRWRCJMBIEB-LLVKDONJSA-N 1 0 386.290 2.579 20 0 GFADRO O=S(=O)(c1cscn1)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000563063046 565054293 /nfs/dbraw/zinc/05/42/93/565054293.db2.gz LYHVPQFHVOVZRC-SJORKVTESA-N 1 0 377.535 2.818 20 0 GFADRO C[C@@H]1[NH2+]CC[C@H]1C(=O)NCC1(c2cccc(Br)c2)CCOCC1 ZINC000563064994 565054354 /nfs/dbraw/zinc/05/43/54/565054354.db2.gz YLOIVAMUWXEYSR-XJKSGUPXSA-N 1 0 381.314 2.612 20 0 GFADRO Cc1cc(CNC(=O)N2CCN(Cc3ncc[nH]3)CC2)ccc1Br ZINC000563074390 565054714 /nfs/dbraw/zinc/05/47/14/565054714.db2.gz SYANEPMEVOBLEI-UHFFFAOYSA-N 1 0 392.301 2.508 20 0 GFADRO CC(C)[NH2+]CCC(=O)N[C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000563089697 565055233 /nfs/dbraw/zinc/05/52/33/565055233.db2.gz OFECFWIVZVPYNZ-LBPRGKRZSA-N 1 0 378.826 2.837 20 0 GFADRO C[C@H]([NH2+]C1CC1)C(=O)N(CCn1ccnc1)Cc1ccccc1Br ZINC000563095551 565055314 /nfs/dbraw/zinc/05/53/14/565055314.db2.gz YNSFAHGTXCCEAC-AWEZNQCLSA-N 1 0 391.313 2.815 20 0 GFADRO COC(=O)[C@H](c1cccc(Br)c1)N1C[C@@H]([NH+](C)C)[C@@H](SC)C1 ZINC000537272385 565056259 /nfs/dbraw/zinc/05/62/59/565056259.db2.gz FHTJSNDXVHTEPO-ILXRZTDVSA-N 1 0 387.343 2.641 20 0 GFADRO OC[C@@H](Cc1ccc(F)cc1)[NH2+]C[C@@H](O)COc1cccc(Br)c1 ZINC000563138098 565056805 /nfs/dbraw/zinc/05/68/05/565056805.db2.gz NEHGBOCLTVMDGJ-IAGOWNOFSA-N 1 0 398.272 2.521 20 0 GFADRO OC[C@@H](C[NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1)c1ccccc1 ZINC000563142789 565057385 /nfs/dbraw/zinc/05/73/85/565057385.db2.gz PBIBZSLZBXVGQX-RHSMWYFYSA-N 1 0 398.272 2.694 20 0 GFADRO COc1ccsc1C[NH2+]CC(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000537502023 565058850 /nfs/dbraw/zinc/05/88/50/565058850.db2.gz OQBZUDLJDNURCL-UHFFFAOYSA-N 1 0 379.913 2.849 20 0 GFADRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000537815003 565063532 /nfs/dbraw/zinc/06/35/32/565063532.db2.gz DZGWGNKKMXWIPG-YRGRVCCFSA-N 1 0 384.307 2.897 20 0 GFADRO O=C(C[NH2+][C@H](c1ccc(Br)cc1)[C@H]1CCCO1)NCC(F)F ZINC000684611547 565076851 /nfs/dbraw/zinc/07/68/51/565076851.db2.gz HDOYIXUXCBHAKX-IUODEOHRSA-N 1 0 377.229 2.640 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)C(=O)N[C@@H](C)C[NH+]1CCC(C)CC1 ZINC000584362391 565077498 /nfs/dbraw/zinc/07/74/98/565077498.db2.gz XPBUBVGRWCSQQC-AWEZNQCLSA-N 1 0 396.329 2.933 20 0 GFADRO C[NH+](C)CCN(Cc1cc2c(cc1Br)OCO2)C[C@H]1CCCO1 ZINC000584378746 565077873 /nfs/dbraw/zinc/07/78/73/565077873.db2.gz WUWWKWFDHYPSEF-CQSZACIVSA-N 1 0 385.302 2.720 20 0 GFADRO C[NH+](C)CCn1cc(NC(=O)N[C@@H]2C[C@H]2c2ccccc2Br)cn1 ZINC000684687956 565079219 /nfs/dbraw/zinc/07/92/19/565079219.db2.gz YSPZZELWRAGOGF-GOEBONIOSA-N 1 0 392.301 2.885 20 0 GFADRO [NH3+][C@@H](C(=O)NC1CCN(Cc2ccc(Br)cc2)CC1)C1CCC1 ZINC000584408847 565079211 /nfs/dbraw/zinc/07/92/11/565079211.db2.gz HLMBWACOMCFWAO-QGZVFWFLSA-N 1 0 380.330 2.657 20 0 GFADRO CS(=O)(=O)N1CCC([NH2+][C@H]2C[C@H](c3cccc(C(F)(F)F)c3)C2)CC1 ZINC000684774285 565082532 /nfs/dbraw/zinc/08/25/32/565082532.db2.gz XRYWDMZWTFCMGA-SAZUREKKSA-N 1 0 376.444 2.965 20 0 GFADRO CCS(=O)(=O)c1cc(Cl)cc(CNC(=O)C23CCC[NH+](CCC2)C3)c1 ZINC000636023307 565086906 /nfs/dbraw/zinc/08/69/06/565086906.db2.gz GFURWSZNTIWVOA-UHFFFAOYSA-N 1 0 384.929 2.626 20 0 GFADRO COc1ccc([C@H]([NH2+]CC(=O)N2CCOCC2)C(C)C)c(Br)c1 ZINC000584689704 565091885 /nfs/dbraw/zinc/09/18/85/565091885.db2.gz ATBAWKOECBSSLQ-QGZVFWFLSA-N 1 0 385.302 2.603 20 0 GFADRO C[NH+](C)C[C@]1(O)CCCN(C(=O)CCOc2ccc(Cl)cc2Cl)C1 ZINC000614067738 565094003 /nfs/dbraw/zinc/09/40/03/565094003.db2.gz IILPZEUNONECSO-QGZVFWFLSA-N 1 0 375.296 2.677 20 0 GFADRO Cc1c(Br)cncc1C[NH2+]Cc1cccc(OCC(=O)N(C)C)c1 ZINC000657315593 565095964 /nfs/dbraw/zinc/09/59/64/565095964.db2.gz YFXRBNPLZKOCOH-UHFFFAOYSA-N 1 0 392.297 2.909 20 0 GFADRO O=C1NCCC[C@@H]1C[NH2+]Cc1cc(Br)cc(Br)c1 ZINC000657276795 565096168 /nfs/dbraw/zinc/09/61/68/565096168.db2.gz UYTSBMFEMYUMSI-SNVBAGLBSA-N 1 0 376.092 2.827 20 0 GFADRO C[C@@H]1CCN(S(=O)(=O)Cc2cc(Cl)ccc2Br)C[C@H]1C[NH3+] ZINC000584781090 565097357 /nfs/dbraw/zinc/09/73/57/565097357.db2.gz CVIHYQGBKAAEIL-ZYHUDNBSSA-N 1 0 395.750 2.849 20 0 GFADRO O=C(NCCC[NH2+]Cc1ccnn1CC1CC1)c1ccc(Br)cc1 ZINC000657342687 565097529 /nfs/dbraw/zinc/09/75/29/565097529.db2.gz QSVLTOYFZXXSJN-UHFFFAOYSA-N 1 0 391.313 2.965 20 0 GFADRO COCc1csc(C[NH2+]CCNS(=O)(=O)c2ccc(Cl)s2)c1 ZINC000657414515 565099751 /nfs/dbraw/zinc/09/97/51/565099751.db2.gz QNKLJRLFMDTDSF-UHFFFAOYSA-N 1 0 380.944 2.678 20 0 GFADRO CN(C)CC[N@H+](C)CCCNC(=O)Cc1ccc(Br)c(Cl)c1 ZINC000685199874 565100387 /nfs/dbraw/zinc/10/03/87/565100387.db2.gz HPGXNZPHZBIBHW-UHFFFAOYSA-N 1 0 390.753 2.645 20 0 GFADRO CC1(C)C[NH2+]CC[C@@H]1NCc1csc(-c2ccc(S(C)(=O)=O)cc2)n1 ZINC000584843230 565101238 /nfs/dbraw/zinc/10/12/38/565101238.db2.gz MWDNTMULMZMAIM-INIZCTEOSA-N 1 0 379.551 2.691 20 0 GFADRO Cc1c(Br)cncc1C[NH2+][C@@H]1CCCN(c2cccnc2)C1=O ZINC000657433603 565101906 /nfs/dbraw/zinc/10/19/06/565101906.db2.gz WFPXRRRBXUTYCI-MRXNPFEDSA-N 1 0 375.270 2.833 20 0 GFADRO O=C(NCC12CCC[NH+]1CCC2)c1cnc2ncc(Br)cc2c1 ZINC000614225523 565102570 /nfs/dbraw/zinc/10/25/70/565102570.db2.gz QGMJLRRCUIOGCL-UHFFFAOYSA-N 1 0 375.270 2.751 20 0 GFADRO COc1ccc(Br)cc1C[C@@H](CO)C[NH2+]Cc1cnc2n1CCC2 ZINC000657486061 565104996 /nfs/dbraw/zinc/10/49/96/565104996.db2.gz XLLWZTOAMPZDLX-CYBMUJFWSA-N 1 0 394.313 2.541 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@H]1CNCc1cn(-c2ccccc2Br)nn1 ZINC000657526255 565105908 /nfs/dbraw/zinc/10/59/08/565105908.db2.gz FCBPXQDKBVGYJN-AWEZNQCLSA-N 1 0 378.318 2.992 20 0 GFADRO CSc1cc(Cl)ccc1NC(=O)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000657561846 565108917 /nfs/dbraw/zinc/10/89/17/565108917.db2.gz ADOFXWNUUAMMAY-UHFFFAOYSA-N 1 0 381.929 2.991 20 0 GFADRO C[C@@H]1CN(CCC[NH2+]CCC(=O)Nc2ccc(Br)cc2)C[C@H](C)O1 ZINC000585810796 565111921 /nfs/dbraw/zinc/11/19/21/565111921.db2.gz JOSJSGNADPKVMQ-GASCZTMLSA-N 1 0 398.345 2.867 20 0 GFADRO CCO[C@H]1C[C@H]([NH2+]Cc2cc(Br)ccc2O[C@@H](C)C(=O)NC)C1 ZINC000657612559 565113142 /nfs/dbraw/zinc/11/31/42/565113142.db2.gz ZLORLLXTXKIARH-CQDKDKBSSA-N 1 0 385.302 2.620 20 0 GFADRO C[N@@H+]1CCN(CCNC(=O)c2cc3cc(Br)sc3[nH]2)CC1(C)C ZINC000614450271 565113727 /nfs/dbraw/zinc/11/37/27/565113727.db2.gz LFFFQRJMGUFJKR-UHFFFAOYSA-N 1 0 399.358 2.748 20 0 GFADRO C[NH+](C)CCn1cc(NC(=O)Cc2cn3cc(Cl)cc(Cl)c3n2)cn1 ZINC000586756854 565114784 /nfs/dbraw/zinc/11/47/84/565114784.db2.gz NCJCVQDJOBASIK-UHFFFAOYSA-N 1 0 381.267 2.580 20 0 GFADRO CCC[N@H+](CC)C[C@H](C)NS(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1F ZINC000685611485 565115961 /nfs/dbraw/zinc/11/59/61/565115961.db2.gz OVEHCCKJXAYOMK-NSHDSACASA-N 1 0 393.912 2.836 20 0 GFADRO C[C@@H](CC(=O)NC[C@H]1C[N@@H+]2CCN1CCC2)c1ccc(F)c(Br)c1 ZINC000614502911 565116295 /nfs/dbraw/zinc/11/62/95/565116295.db2.gz DTZHBAYMXLHLAN-ZFWWWQNUSA-N 1 0 398.320 2.588 20 0 GFADRO O=C(NC[C@H]1C[N@@H+]2CCN1CCC2)c1sc2ccccc2c1Br ZINC000614505533 565116310 /nfs/dbraw/zinc/11/63/10/565116310.db2.gz QDTLKMRINAWPJC-LBPRGKRZSA-N 1 0 394.338 2.784 20 0 GFADRO CNS(=O)(=O)Cc1ccc(C[NH2+][C@@H](COC)c2cccc(Cl)c2)cc1 ZINC000685645306 565116908 /nfs/dbraw/zinc/11/69/08/565116908.db2.gz FRAOAKKAQURRSI-SFHVURJKSA-N 1 0 382.913 2.867 20 0 GFADRO COc1ncccc1CC[NH2+]Cc1cc(Br)c2c(c1)OCCO2 ZINC000685632109 565117662 /nfs/dbraw/zinc/11/76/62/565117662.db2.gz IWGNPOHAFPDWKL-UHFFFAOYSA-N 1 0 379.254 2.956 20 0 GFADRO O=C(CCn1cc(Br)cn1)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000614520729 565118168 /nfs/dbraw/zinc/11/81/68/565118168.db2.gz XAPHJQPQEVDOLS-HNNXBMFYSA-N 1 0 395.301 2.972 20 0 GFADRO O=C(CCn1cc(Br)cn1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000614558853 565119061 /nfs/dbraw/zinc/11/90/61/565119061.db2.gz CIOYDEKMHKCGIC-UHFFFAOYSA-N 1 0 391.313 2.817 20 0 GFADRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)Nc1cc(Cl)c(OC)c(Cl)c1 ZINC000587560361 565121846 /nfs/dbraw/zinc/12/18/46/565121846.db2.gz FSTUYHSFAYUBPW-SNVBAGLBSA-N 1 0 376.284 2.787 20 0 GFADRO COC(=O)c1cc(Cl)cc(Cl)c1N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000587979626 565122747 /nfs/dbraw/zinc/12/27/47/565122747.db2.gz WBWKSKIYGTVTFP-CQSZACIVSA-N 1 0 386.323 2.996 20 0 GFADRO C[C@H](CNS(=O)(=O)c1ccc(F)cc1Br)[N@@H+]1CCC[C@@H](C)C1 ZINC000614605863 565124010 /nfs/dbraw/zinc/12/40/10/565124010.db2.gz PBDJRWRFSNTQPE-VXGBXAGGSA-N 1 0 393.322 2.987 20 0 GFADRO CCC[N@@H+]1CC[C@H](NCc2cc(Br)ccc2O[C@@H](C)C(=O)NC)C1 ZINC000657742305 565126505 /nfs/dbraw/zinc/12/65/05/565126505.db2.gz POAHRRZGFZUAPE-BBRMVZONSA-N 1 0 398.345 2.536 20 0 GFADRO CCCN1CC[C@@H]([NH2+]Cc2ccc(Br)cc2N2CCOCC2)C1 ZINC000657741951 565126547 /nfs/dbraw/zinc/12/65/47/565126547.db2.gz KDRKWIATQHOQKJ-QGZVFWFLSA-N 1 0 382.346 2.860 20 0 GFADRO CC[N@H+](CCNC(=O)c1nnn(-c2cccc(Br)c2)c1C)C(C)C ZINC000588224811 565131620 /nfs/dbraw/zinc/13/16/20/565131620.db2.gz HCDQQKPPPKNORV-UHFFFAOYSA-N 1 0 394.317 2.798 20 0 GFADRO CC[C@H](Cc1ccc(Br)cc1)[NH2+]CCC(=O)N1CCN(C)CC1 ZINC000657870771 565134598 /nfs/dbraw/zinc/13/45/98/565134598.db2.gz QFDVWUHNCPAWST-QGZVFWFLSA-N 1 0 382.346 2.524 20 0 GFADRO C[NH+](C)C[C@@H](CO)NC(=O)c1ccc(Oc2cccc(Cl)c2Cl)nc1 ZINC000614850082 565135832 /nfs/dbraw/zinc/13/58/32/565135832.db2.gz RSFJTLZZKNFNGR-LBPRGKRZSA-N 1 0 384.263 2.833 20 0 GFADRO CC[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]CC1(O)CCS(=O)(=O)CC1 ZINC000657887945 565136226 /nfs/dbraw/zinc/13/62/26/565136226.db2.gz KPROGIBPJVTIPA-HNNXBMFYSA-N 1 0 379.444 2.556 20 0 GFADRO Cc1cnc(NC(=O)c2ccnc(OCC[NH+](C)C)c2)c(Br)c1 ZINC000637047541 565136318 /nfs/dbraw/zinc/13/63/18/565136318.db2.gz GEZTVCHREFEYEP-UHFFFAOYSA-N 1 0 379.258 2.740 20 0 GFADRO COc1cc(F)c(S(=O)(=O)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)c(F)c1 ZINC000588678479 565136947 /nfs/dbraw/zinc/13/69/47/565136947.db2.gz GYJUBCJHRPKCAQ-STQMWFEESA-N 1 0 376.469 2.620 20 0 GFADRO CC(C)CN(CC[NH+](C)C)C(=O)CSc1nnc(-c2cccs2)n1C ZINC000588706101 565138629 /nfs/dbraw/zinc/13/86/29/565138629.db2.gz GIYIKSJUQXBFGL-UHFFFAOYSA-N 1 0 381.571 2.682 20 0 GFADRO C[NH+]1CCC2(CCN(C(=O)c3nn(C(C)(C)C)cc3Br)C2)CC1 ZINC000614967802 565140033 /nfs/dbraw/zinc/14/00/33/565140033.db2.gz LUMGKVVRNQGVMV-UHFFFAOYSA-N 1 0 383.334 2.959 20 0 GFADRO C[NH+](C)C[C@H](NC(=O)N[C@@H]1CC[C@H](C(N)=O)C1)c1ccc(Cl)c(Cl)c1 ZINC000637204212 565144444 /nfs/dbraw/zinc/14/44/44/565144444.db2.gz LCGCFSHHXHZDGV-ZOWXZIJZSA-N 1 0 387.311 2.549 20 0 GFADRO CCn1cc(Br)cc1C(=O)N1CCC([N@@H+]2CCOC[C@H]2C)CC1 ZINC000615091692 565144826 /nfs/dbraw/zinc/14/48/26/565144826.db2.gz MELPIYPTEJOVPV-CYBMUJFWSA-N 1 0 384.318 2.596 20 0 GFADRO COc1cccc([C@@H](C)[NH2+]CCNC(=O)c2ccc(Br)cn2)c1 ZINC000658091566 565149098 /nfs/dbraw/zinc/14/90/98/565149098.db2.gz GEPFBVDICUQNAV-GFCCVEGCSA-N 1 0 378.270 2.933 20 0 GFADRO CC[C@@H]([NH2+]CCNC(=O)c1ccc(Br)cn1)c1ccc(F)cn1 ZINC000658091629 565149435 /nfs/dbraw/zinc/14/94/35/565149435.db2.gz GUMKKYSMOIRJIH-CYBMUJFWSA-N 1 0 381.249 2.849 20 0 GFADRO CO[C@H](C[NH2+][C@@H](C)CC(=O)Nc1cccc(Br)c1)[C@H]1CCOC1 ZINC000658079260 565149644 /nfs/dbraw/zinc/14/96/44/565149644.db2.gz VHTVISNYXOYXFD-HEHGZKQESA-N 1 0 385.302 2.807 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccccc2Br)C1 ZINC000658118710 565150576 /nfs/dbraw/zinc/15/05/76/565150576.db2.gz GIUQPAXBELWITD-GFCCVEGCSA-N 1 0 382.302 2.624 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)C(=O)Nc1cc(F)ccc1Br ZINC000658126812 565151741 /nfs/dbraw/zinc/15/17/41/565151741.db2.gz OSPMXRXARSWPGW-NSHDSACASA-N 1 0 386.265 2.516 20 0 GFADRO Cc1ccc(NC(=O)C(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)c(Br)c1 ZINC000658122303 565151788 /nfs/dbraw/zinc/15/17/88/565151788.db2.gz UFACNBARJZGKQF-LBPRGKRZSA-N 1 0 382.302 2.685 20 0 GFADRO CC(C)C[C@H](NC(=O)Cc1ccc(Cl)s1)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000615228681 565153380 /nfs/dbraw/zinc/15/33/80/565153380.db2.gz UCDPJEDVDYFMIT-ZFWWWQNUSA-N 1 0 385.961 2.637 20 0 GFADRO Cc1c(F)c(Br)ccc1C(=O)N1CCOC[C@@H]1[C@@H]1CCC[N@H+]1C ZINC000615273298 565154785 /nfs/dbraw/zinc/15/47/85/565154785.db2.gz BMAZQXWPRJGKRX-LSDHHAIUSA-N 1 0 385.277 2.832 20 0 GFADRO CN1CC[NH+](CC2CN(C(=O)c3ccc(Cl)cc3C(F)(F)F)C2)CC1 ZINC000615272494 565155151 /nfs/dbraw/zinc/15/51/51/565155151.db2.gz GRBRDPYJMNUTSS-UHFFFAOYSA-N 1 0 375.822 2.678 20 0 GFADRO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1c(O)cnc2c(Br)cccc21 ZINC000615302413 565156401 /nfs/dbraw/zinc/15/64/01/565156401.db2.gz MGROWSKUXSMZRQ-MFKMUULPSA-N 1 0 378.270 2.868 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)cc1Br ZINC000658263033 565156874 /nfs/dbraw/zinc/15/68/74/565156874.db2.gz FOQBFSJTDSPZEZ-ZDUSSCGKSA-N 1 0 396.329 2.993 20 0 GFADRO C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)c1ccc(-n2cc(Br)cn2)cc1 ZINC000615314733 565157180 /nfs/dbraw/zinc/15/71/80/565157180.db2.gz VRGUAIPJURDUOI-BLLLJJGKSA-N 1 0 377.286 2.799 20 0 GFADRO Cc1ccc(Br)c(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)c1 ZINC000658263512 565157409 /nfs/dbraw/zinc/15/74/09/565157409.db2.gz KPYZCSFEWVXMDM-GFCCVEGCSA-N 1 0 382.302 2.685 20 0 GFADRO C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)c1cn(Cc2ccc(Cl)cc2Cl)nn1 ZINC000615317321 565157716 /nfs/dbraw/zinc/15/77/16/565157716.db2.gz BUJHLNPYSPQCEU-MEDUHNTESA-N 1 0 382.295 2.798 20 0 GFADRO CCC[N@@H+]1CC[C@H](N[C@H](C)c2cc(S(N)(=O)=O)c(Cl)cc2Cl)C1 ZINC000658284971 565159158 /nfs/dbraw/zinc/15/91/58/565159158.db2.gz IQOXXISAEFNRPU-MNOVXSKESA-N 1 0 380.341 2.776 20 0 GFADRO CCCN1CC[C@H]([NH2+][C@H]2CCS(=O)(=O)c3ccc(Br)cc32)C1 ZINC000658286193 565159285 /nfs/dbraw/zinc/15/92/85/565159285.db2.gz PYELOEBAUKUFDX-ZFWWWQNUSA-N 1 0 387.343 2.742 20 0 GFADRO COc1cc([C@H](C)[NH2+]CC2(O)CCC(F)(F)CC2)ccc1S(C)(=O)=O ZINC000658322100 565160277 /nfs/dbraw/zinc/16/02/77/565160277.db2.gz CTCDLRYJFYWEAQ-LBPRGKRZSA-N 1 0 377.453 2.690 20 0 GFADRO CCN(C(=O)C(=O)Nc1ccc(Br)c(Cl)c1)[C@H]1CC[N@H+](C)C1 ZINC000658363310 565161937 /nfs/dbraw/zinc/16/19/37/565161937.db2.gz VDFDAQXHDVHNFK-NSHDSACASA-N 1 0 388.693 2.594 20 0 GFADRO O=C(NCc1ccsc1C(F)(F)F)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000637594467 565163271 /nfs/dbraw/zinc/16/32/71/565163271.db2.gz IFQUJRCMQVQWKH-CHWSQXEVSA-N 1 0 377.432 2.508 20 0 GFADRO [NH3+]C[C@@H](NS(=O)(=O)Cc1cc(F)ccc1Br)C1CCCC1 ZINC000658377057 565163908 /nfs/dbraw/zinc/16/39/08/565163908.db2.gz ABAUMHOOMSVJCB-CQSZACIVSA-N 1 0 379.295 2.525 20 0 GFADRO CCCOc1ccc(Br)cc1S(=O)(=O)N(C)[C@H](C[NH3+])C1CC1 ZINC000658379850 565165080 /nfs/dbraw/zinc/16/50/80/565165080.db2.gz YRDIPGHPRPYTEC-CYBMUJFWSA-N 1 0 391.331 2.596 20 0 GFADRO O=S(=O)(c1ccc(Br)cc1)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000658384862 565165869 /nfs/dbraw/zinc/16/58/69/565165869.db2.gz NEDOGXSTBNEEIX-AWEZNQCLSA-N 1 0 387.343 2.849 20 0 GFADRO O=S(=O)(c1c(F)c(F)cc(F)c1F)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000658387668 565167270 /nfs/dbraw/zinc/16/72/70/565167270.db2.gz YMWHCFGQVJDSTP-LLVKDONJSA-N 1 0 380.407 2.643 20 0 GFADRO C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1cc(Br)cc3[nH]c(=O)[nH]c31)C2 ZINC000615600489 565167413 /nfs/dbraw/zinc/16/74/13/565167413.db2.gz CLVFGVZKFCQGOK-QGZVFWFLSA-N 1 0 393.285 2.589 20 0 GFADRO CC(C)[C@H]([NH3+])CCNS(=O)(=O)c1cc(Br)sc1Cl ZINC000658406317 565168030 /nfs/dbraw/zinc/16/80/30/565168030.db2.gz JZJOMVMNGLQWAX-SSDOTTSWSA-N 1 0 375.741 2.816 20 0 GFADRO C[NH2+]C[C@H](C)NS(=O)(=O)c1ccc(Br)c(Cl)c1Cl ZINC000658411786 565169104 /nfs/dbraw/zinc/16/91/04/565169104.db2.gz QZBSOTCHDWROMM-LURJTMIESA-N 1 0 376.103 2.642 20 0 GFADRO O=C(NCC[C@@H]1CC[NH2+]C1)N1CCc2[nH]c3ccc(Br)cc3c2C1 ZINC000637678097 565169623 /nfs/dbraw/zinc/16/96/23/565169623.db2.gz KCDASKAQPVZZBO-LBPRGKRZSA-N 1 0 391.313 2.998 20 0 GFADRO CCC([NH3+])(CC)CNC(=O)[C@@H]1CCC(=O)N1Cc1ccc(Br)cc1 ZINC000637858530 565173899 /nfs/dbraw/zinc/17/38/99/565173899.db2.gz HICUQLGSBLFIAW-HNNXBMFYSA-N 1 0 396.329 2.574 20 0 GFADRO CCCC[C@@H](C[NH3+])NC(=O)[C@H]1CCC(=O)N1Cc1ccc(Br)cc1 ZINC000637867289 565174436 /nfs/dbraw/zinc/17/44/36/565174436.db2.gz UGXXJGDFDHZSNJ-JKSUJKDBSA-N 1 0 396.329 2.574 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc(-c4ccc(Br)cc4)no3)C[C@@H]21 ZINC000615851278 565178376 /nfs/dbraw/zinc/17/83/76/565178376.db2.gz YSLHNUWKTRAVLT-DOMZBBRYSA-N 1 0 376.254 2.880 20 0 GFADRO CC[NH2+][C@H](C)C(=O)Nc1cc(Cl)c(NC(=O)c2cnccn2)c(Cl)c1 ZINC000638003997 565180437 /nfs/dbraw/zinc/18/04/37/565180437.db2.gz NNJNDESKKYPKLQ-SECBINFHSA-N 1 0 382.251 2.972 20 0 GFADRO COc1cc(CN2CC[C@@H](C[NH+]3CCOCC3)C2)c(F)cc1Br ZINC000638119461 565185078 /nfs/dbraw/zinc/18/50/78/565185078.db2.gz RPFRMIKRGRXLKZ-ZDUSSCGKSA-N 1 0 387.293 2.751 20 0 GFADRO O=C(c1ccc2cncc(Br)c2n1)N1CCC2(CC[NH2+]CC2)CC1 ZINC000638202242 565188872 /nfs/dbraw/zinc/18/88/72/565188872.db2.gz RBMZYJCCVUWRFZ-UHFFFAOYSA-N 1 0 389.297 2.998 20 0 GFADRO C[N@H+](CC(=O)N[C@@](C)(CO)c1cc(Cl)cc(Cl)c1)[C@H]1CCSC1 ZINC000616081158 565189740 /nfs/dbraw/zinc/18/97/40/565189740.db2.gz SCSPKJSTKAJTNA-HOCLYGCPSA-N 1 0 377.337 2.754 20 0 GFADRO CO[C@H]1C[NH2+][C@@](C)(C(=O)N2CCC(c3cccc(Br)c3)CC2)C1 ZINC000638300927 565191266 /nfs/dbraw/zinc/19/12/66/565191266.db2.gz HTOFEZSNKGHRDR-SJLPKXTDSA-N 1 0 381.314 2.922 20 0 GFADRO COc1ccc(Br)c(CNC(=O)N2CC[NH+](CC(C)C)CC2)c1 ZINC000616140909 565191867 /nfs/dbraw/zinc/19/18/67/565191867.db2.gz HBVQDQLJYMZLTC-UHFFFAOYSA-N 1 0 384.318 2.941 20 0 GFADRO CC1(C)CCC[N@@H+]1CCNC(=O)c1cc(Br)cc2[nH]c(=O)[nH]c21 ZINC000616153465 565192463 /nfs/dbraw/zinc/19/24/63/565192463.db2.gz GNDXJRULBYWBPQ-UHFFFAOYSA-N 1 0 381.274 2.635 20 0 GFADRO COc1cc(C(=O)N2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)ccc1Br ZINC000638338603 565192818 /nfs/dbraw/zinc/19/28/18/565192818.db2.gz CLHCEGIVZUXSTG-DOTOQJQBSA-N 1 0 397.313 2.816 20 0 GFADRO COc1cccc(CC[NH2+]Cc2cnn3cc(Br)cnc23)c1OC ZINC000638383708 565193789 /nfs/dbraw/zinc/19/37/89/565193789.db2.gz LUSPWNFKVQZWKR-UHFFFAOYSA-N 1 0 391.269 2.841 20 0 GFADRO O=C(c1nnn([C@@H]2CC[NH2+]C2)c1C(F)F)N1CCc2sc(Cl)cc2C1 ZINC000638372022 565194032 /nfs/dbraw/zinc/19/40/32/565194032.db2.gz YDDYEHPHYREBBT-SECBINFHSA-N 1 0 387.843 2.664 20 0 GFADRO CCn1ncnc1C[NH2+]CC1(c2cccc(Br)c2)CCOCC1 ZINC000638391730 565194675 /nfs/dbraw/zinc/19/46/75/565194675.db2.gz SKLNMKKGJXRPAG-UHFFFAOYSA-N 1 0 379.302 2.899 20 0 GFADRO CC(C)[C@H]([NH3+])CCNC(=O)Nc1ccnn1-c1ccc(Br)cn1 ZINC000659012820 565199070 /nfs/dbraw/zinc/19/90/70/565199070.db2.gz YLZUTPUKFHQREC-GFCCVEGCSA-N 1 0 381.278 2.525 20 0 GFADRO C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)Nc1ccc(F)c(Br)c1F ZINC000659047744 565199275 /nfs/dbraw/zinc/19/92/75/565199275.db2.gz LFMXGFLZVOQPSF-GMSGAONNSA-N 1 0 378.217 2.962 20 0 GFADRO O=C(N[C@H]1CC[NH2+]C12CCC2)[C@@H]1CCN(c2cc(Cl)ccc2Cl)C1=O ZINC000638505838 565199488 /nfs/dbraw/zinc/19/94/88/565199488.db2.gz XRLCMKFUIKYUES-WFASDCNBSA-N 1 0 382.291 2.747 20 0 GFADRO COCCSc1ccc([C@H](C)[NH2+]Cc2ccc(S(N)(=O)=O)s2)cc1 ZINC000638538886 565201292 /nfs/dbraw/zinc/20/12/92/565201292.db2.gz XQJSDZMUVFFTFB-LBPRGKRZSA-N 1 0 386.564 2.985 20 0 GFADRO Cc1cc(Br)c(Cl)cc1NC(=O)C(=O)N(C)CC(C)(C)[NH3+] ZINC000659092829 565201318 /nfs/dbraw/zinc/20/13/18/565201318.db2.gz VLAPXYATVMCDFZ-UHFFFAOYSA-N 1 0 376.682 2.545 20 0 GFADRO Cc1csc(Sc2ccc(NC(=O)C(=O)N(C)CC(C)(C)[NH3+])cc2)n1 ZINC000659093255 565201481 /nfs/dbraw/zinc/20/14/81/565201481.db2.gz JLOVGVIXEQZKOH-UHFFFAOYSA-N 1 0 378.523 2.737 20 0 GFADRO COc1ccccc1SC[C@@H](C)C[NH2+]Cc1ccc(S(N)(=O)=O)s1 ZINC000638545902 565201643 /nfs/dbraw/zinc/20/16/43/565201643.db2.gz WOXMAGDKBJJPHR-LBPRGKRZSA-N 1 0 386.564 2.922 20 0 GFADRO Cc1ccc(SCC(F)(F)F)c(NC(=O)C(=O)N(C)CC(C)(C)[NH3+])c1 ZINC000659093296 565201784 /nfs/dbraw/zinc/20/17/84/565201784.db2.gz LUVDOCZAYSKHCO-UHFFFAOYSA-N 1 0 377.432 2.784 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)c2[nH]nc(C3CC3)c2Br)CC[C@H]1C(F)(F)F ZINC000638546600 565201853 /nfs/dbraw/zinc/20/18/53/565201853.db2.gz CFBVHPIKNPHQIZ-RKDXNWHRSA-N 1 0 395.223 2.649 20 0 GFADRO CCn1cnnc1CC[NH2+][C@@H](C)c1ccc(F)c(I)c1 ZINC000590778108 565204446 /nfs/dbraw/zinc/20/44/46/565204446.db2.gz SCIIEEXWSLFVFZ-JTQLQIEISA-N 1 0 388.228 2.935 20 0 GFADRO O=C(NC[C@@H]1COCC[NH2+]1)c1ccc(Oc2cccc(Cl)c2Cl)nc1 ZINC000638617441 565205140 /nfs/dbraw/zinc/20/51/40/565205140.db2.gz ZPKHCYHSKQXDMC-GFCCVEGCSA-N 1 0 382.247 2.899 20 0 GFADRO C[N@@H+]1CCC[C@@H](CNCc2ccc(S(N)(=O)=O)s2)[C@H]1c1cccs1 ZINC000638671124 565206766 /nfs/dbraw/zinc/20/67/66/565206766.db2.gz MBSRHLXJWVQLBY-LRDDRELGSA-N 1 0 385.580 2.630 20 0 GFADRO COC1(C(=O)N2C[C@@H](c3ccc(Br)cc3)C[C@H]2C)CC[NH2+]CC1 ZINC000638701198 565208093 /nfs/dbraw/zinc/20/80/93/565208093.db2.gz ZATMICDDMQFCIA-HIFRSBDPSA-N 1 0 381.314 2.922 20 0 GFADRO [NH3+]C1(C(=O)N[C@@H]2CCN(c3ccc(Br)cc3)C2)CC2(CCC2)C1 ZINC000659291235 565210700 /nfs/dbraw/zinc/21/07/00/565210700.db2.gz FHHOJSKWRRPMCW-CQSZACIVSA-N 1 0 378.314 2.806 20 0 GFADRO Brc1cnc2c(C[NH2+][C@@H]3CCO[C@@]4(CCSC4)C3)cnn2c1 ZINC000638775999 565210887 /nfs/dbraw/zinc/21/08/87/565210887.db2.gz LBAMABDLLCVAHQ-HIFRSBDPSA-N 1 0 383.315 2.636 20 0 GFADRO CNC(=O)C(C)(C)C[NH2+][C@@H]1CCN(C)[C@H](c2ccc(Br)cc2)C1 ZINC000638792446 565211326 /nfs/dbraw/zinc/21/13/26/565211326.db2.gz XDDTXOWHFQJCTL-CVEARBPZSA-N 1 0 382.346 2.946 20 0 GFADRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2sc3c(c2Br)CNC3)C1 ZINC000659313019 565211491 /nfs/dbraw/zinc/21/14/91/565211491.db2.gz BZXWFSWXYLIBRQ-JQWIXIFHSA-N 1 0 384.343 2.670 20 0 GFADRO [NH3+]Cc1ccc2c(c1)N(C(=O)c1sc3c(c1Br)CNC3)CCO2 ZINC000638808649 565212031 /nfs/dbraw/zinc/21/20/31/565212031.db2.gz YSEMUEMZWGNAAQ-UHFFFAOYSA-N 1 0 394.294 2.612 20 0 GFADRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)Cc1ccc(Br)c(Br)c1 ZINC000659309872 565212139 /nfs/dbraw/zinc/21/21/39/565212139.db2.gz ZVPKQBLXUVXNJY-RNCFNFMXSA-N 1 0 390.119 2.868 20 0 GFADRO CN(C[C@@H](O)COc1cc(Cl)cc(Cl)c1)C(=O)[C@H]1CCC[NH2+]CC1 ZINC000638828561 565212949 /nfs/dbraw/zinc/21/29/49/565212949.db2.gz VNOTVPWLUOOJFH-SWLSCSKDSA-N 1 0 375.296 2.581 20 0 GFADRO CN(C[C@H](O)COc1cc(Cl)cc(Cl)c1)C(=O)CC[C@@H]1CC[NH2+]C1 ZINC000638828381 565213206 /nfs/dbraw/zinc/21/32/06/565213206.db2.gz SPJCCGMMNPEMNK-DOMZBBRYSA-N 1 0 375.296 2.581 20 0 GFADRO C[C@]1(C(=O)N2CC3(CCOCC3)c3ccc(Br)cc32)CCC[NH2+]1 ZINC000638842468 565214055 /nfs/dbraw/zinc/21/40/55/565214055.db2.gz RXGGWCBOQZFWMI-QGZVFWFLSA-N 1 0 379.298 2.986 20 0 GFADRO COC(=O)[C@@H]1CSCC[N@H+](C[C@H](O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000591059619 565214096 /nfs/dbraw/zinc/21/40/96/565214096.db2.gz IHLOZGOUBAUMPG-RYUDHWBXSA-N 1 0 394.320 2.571 20 0 GFADRO COc1ccc2c(c1)OC[C@@H]([NH2+]Cc1cnn3cc(Br)cnc13)C2 ZINC000638830737 565214094 /nfs/dbraw/zinc/21/40/94/565214094.db2.gz GMFUAAZWMPBQAR-AWEZNQCLSA-N 1 0 389.253 2.594 20 0 GFADRO O=C([C@@H]1CCC[NH2+]C1)N1CC2(CCOCC2)c2ccc(Br)cc21 ZINC000638840468 565214474 /nfs/dbraw/zinc/21/44/74/565214474.db2.gz CIYBDBNEZYYXIG-CYBMUJFWSA-N 1 0 379.298 2.844 20 0 GFADRO O=C(c1cn(C[C@@H]2CCC[NH2+]2)nn1)N1CCc2ccc(Cl)c(Cl)c2C1 ZINC000659339181 565214557 /nfs/dbraw/zinc/21/45/57/565214557.db2.gz ZWTKKBDTLRDYLU-LBPRGKRZSA-N 1 0 380.279 2.535 20 0 GFADRO C[C@H]1C[C@@H]([NH3+])CN1C(=O)CCc1ncc(-c2ccccc2Br)o1 ZINC000638933356 565217661 /nfs/dbraw/zinc/21/76/61/565217661.db2.gz BPQXZYHDLRKBDQ-NWDGAFQWSA-N 1 0 378.270 2.985 20 0 GFADRO Cc1cc(C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)nn1-c1ccc(Br)cc1 ZINC000638923270 565217713 /nfs/dbraw/zinc/21/77/13/565217713.db2.gz BXLDIJBUBGUKSR-OKILXGFUSA-N 1 0 375.270 2.520 20 0 GFADRO O=C(NCC12CC(C1)C[NH2+]2)NCC1(c2cccc(Br)c2)CCC1 ZINC000659442152 565217804 /nfs/dbraw/zinc/21/78/04/565217804.db2.gz ZHPGPPTVVUCLNP-UHFFFAOYSA-N 1 0 378.314 2.922 20 0 GFADRO CN(CC(C)(C)[NH3+])C(=O)N[C@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O ZINC000659484291 565217959 /nfs/dbraw/zinc/21/79/59/565217959.db2.gz JDXMXKBDWMXNKF-ZDUSSCGKSA-N 1 0 387.311 2.868 20 0 GFADRO O=C(c1ccc(Cl)c(Cl)c1)N1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638921320 565217987 /nfs/dbraw/zinc/21/79/87/565217987.db2.gz JQGBSYZKKDIHCZ-ZENOOKHLSA-N 1 0 382.291 2.561 20 0 GFADRO Cc1cc(Br)cn2cc(CCNC(=O)NCC[C@@H]([NH3+])C(C)C)nc12 ZINC000659480036 565218468 /nfs/dbraw/zinc/21/84/68/565218468.db2.gz DDIDIYLGFHPSHP-OAHLLOKOSA-N 1 0 396.333 2.620 20 0 GFADRO C[C@H](NC(=O)N1CCOc2cc(Br)ccc2C1)[C@H]1CCC[NH2+]C1 ZINC000659509726 565218833 /nfs/dbraw/zinc/21/88/33/565218833.db2.gz HXIOOJPBJITCNV-STQMWFEESA-N 1 0 382.302 2.741 20 0 GFADRO CCO[C@@H]1C[C@]([NH3+])(C(=O)N[C@@H]2[C@H]3Cc4cc(Br)ccc4[C@@H]23)C1(C)C ZINC000638942216 565219119 /nfs/dbraw/zinc/21/91/19/565219119.db2.gz FBLXKRGHZAPXPA-MEXWJNSZSA-N 1 0 393.325 2.736 20 0 GFADRO [NH3+]C[C@H]1CC[C@H](NC(=O)c2cnn(-c3ccc(Br)cc3)c2)CC1 ZINC000638946934 565219176 /nfs/dbraw/zinc/21/91/76/565219176.db2.gz GHDLGJFUKGFADO-NNUKFRKNSA-N 1 0 377.286 2.882 20 0 GFADRO O=C(NCC[C@@H]1CC[NH2+]C1)N1CCOC[C@@H]1c1ccc(Br)cc1 ZINC000659513201 565219274 /nfs/dbraw/zinc/21/92/74/565219274.db2.gz HCBHDQVCONEGDK-XJKSGUPXSA-N 1 0 382.302 2.532 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)c1cc(Br)cc2[nH]c(=O)[nH]c21 ZINC000617007015 565219488 /nfs/dbraw/zinc/21/94/88/565219488.db2.gz KAGRHBKWXGBEGW-JTQLQIEISA-N 1 0 381.274 2.634 20 0 GFADRO COc1cc(C(=O)Nc2cc(N3CC[NH2+]CC3)ccn2)ccc1Br ZINC000638986255 565220294 /nfs/dbraw/zinc/22/02/94/565220294.db2.gz YKPJFYILUCJSPR-UHFFFAOYSA-N 1 0 391.269 2.515 20 0 GFADRO O=C(C[C@H]1Sc2ccc(Cl)cc2NC1=O)N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000639028206 565220970 /nfs/dbraw/zinc/22/09/70/565220970.db2.gz XFHBOGUVRPBGSA-SGIREYDYSA-N 1 0 379.913 2.743 20 0 GFADRO [NH3+][C@H]1CC[C@H](NC(=O)[C@H]2CCCN2C(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000639026521 565220988 /nfs/dbraw/zinc/22/09/88/565220988.db2.gz JRPBAGAKKZUUGN-XJKCOSOUSA-N 1 0 384.307 2.984 20 0 GFADRO O=C(NCC1CC[NH+](C2CCOCC2)CC1)c1nscc1Br ZINC000617109544 565221948 /nfs/dbraw/zinc/22/19/48/565221948.db2.gz OPUAYBGNGMLNHO-UHFFFAOYSA-N 1 0 388.331 2.526 20 0 GFADRO COCCN(CC[NH+](C)C)C(=O)CSc1ccc(Br)cc1C ZINC000591300783 565222566 /nfs/dbraw/zinc/22/25/66/565222566.db2.gz FJZJFCCQTCVDOJ-UHFFFAOYSA-N 1 0 389.359 2.886 20 0 GFADRO CN(C(=O)c1cc(I)c[nH]1)C(C)(C)C[NH+]1CCCC1 ZINC000591322646 565224164 /nfs/dbraw/zinc/22/41/64/565224164.db2.gz LEPHDXBKJKAIJS-UHFFFAOYSA-N 1 0 375.254 2.566 20 0 GFADRO C[N@H+](CCOc1ccc(Br)cc1)CCc1nnn(C(C)(C)C)n1 ZINC000659833345 565224659 /nfs/dbraw/zinc/22/46/59/565224659.db2.gz KFJABAQFWJFKNO-UHFFFAOYSA-N 1 0 382.306 2.744 20 0 GFADRO C[C@@H]1OCC[C@]1(O)C[NH2+][C@@H]1CCN(C)[C@@H](c2ccc(Br)cc2)C1 ZINC000639116194 565227433 /nfs/dbraw/zinc/22/74/33/565227433.db2.gz STIUDMXXPIOYMY-LIRZEXBASA-N 1 0 383.330 2.714 20 0 GFADRO C[NH+](C)CCN(Cc1cccs1)Cc1ccc(Cl)c(S(N)(=O)=O)c1 ZINC000639174608 565229936 /nfs/dbraw/zinc/22/99/36/565229936.db2.gz WPUPQIUOGBQUTR-UHFFFAOYSA-N 1 0 387.958 2.613 20 0 GFADRO CN1CC(=O)N(CC[N@H+](C)[C@@H]2CCSc3ccc(Br)cc32)C1=O ZINC000659912942 565231277 /nfs/dbraw/zinc/23/12/77/565231277.db2.gz JRXNIAFDLIQVPY-CYBMUJFWSA-N 1 0 398.326 2.812 20 0 GFADRO COc1nsc(C[NH2+][C@@H]2CC[C@](O)(C(F)(F)F)C2)c1Br ZINC000639202051 565231999 /nfs/dbraw/zinc/23/19/99/565231999.db2.gz RJYKUNQJAGRCSC-LHLIQPBNSA-N 1 0 375.210 2.850 20 0 GFADRO CN1CC[C@@H]([NH2+]CCN2CCC(O)CC2)C[C@H]1c1ccc(Br)cc1 ZINC000639234981 565234406 /nfs/dbraw/zinc/23/44/06/565234406.db2.gz DPZGEDFOJREQIN-MJGOQNOKSA-N 1 0 396.373 2.631 20 0 GFADRO COc1ccc(C[C@H](CO)C[NH2+]Cc2snnc2C)cc1Br ZINC000639243372 565234431 /nfs/dbraw/zinc/23/44/31/565234431.db2.gz FYECHBHLNPVESJ-LBPRGKRZSA-N 1 0 386.315 2.558 20 0 GFADRO CO[C@H](C[NH2+]C[C@@H](CO)Cc1cccc(Br)c1C)[C@@H]1CCOC1 ZINC000639237964 565234706 /nfs/dbraw/zinc/23/47/06/565234706.db2.gz PLPUHGLIKCUSOO-YXJHDRRASA-N 1 0 386.330 2.550 20 0 GFADRO CC1(C)C[NH2+]CCN1C(=O)c1ccc(I)cc1Cl ZINC000591678367 565236435 /nfs/dbraw/zinc/23/64/35/565236435.db2.gz QZSXWZMYSYCZFP-UHFFFAOYSA-N 1 0 378.641 2.769 20 0 GFADRO NS(=O)(=O)c1ccc(C[N@@H+]2CC3(CCC3)[C@@H]2C2CCOCC2)cc1Cl ZINC000639279550 565237626 /nfs/dbraw/zinc/23/76/26/565237626.db2.gz GTACRBJQBOSUPF-KRWDZBQOSA-N 1 0 384.929 2.769 20 0 GFADRO NS(=O)(=O)c1ccc(C[N@@H+]2CC3(CCC3)[C@H]2C2CCOCC2)cc1Cl ZINC000639279553 565237980 /nfs/dbraw/zinc/23/79/80/565237980.db2.gz GTACRBJQBOSUPF-QGZVFWFLSA-N 1 0 384.929 2.769 20 0 GFADRO COC[C@@H](C[NH+]1CCC(C(=O)Nc2ccc(Br)cc2)CC1)OC ZINC000660049205 565243131 /nfs/dbraw/zinc/24/31/31/565243131.db2.gz PNTXBTVNPKXAMS-MRXNPFEDSA-N 1 0 385.302 2.761 20 0 GFADRO CCN(C(=O)CSc1nncn1-c1cccc(Cl)c1)[C@@H]1CC[N@H+](C)C1 ZINC000617558540 565246662 /nfs/dbraw/zinc/24/66/62/565246662.db2.gz DYPWTBNIXORTMU-OAHLLOKOSA-N 1 0 379.917 2.565 20 0 GFADRO O=C1C[C@H]([C@H]2CCCC[N@H+]2C[C@@H](O)COc2cc(Cl)cc(Cl)c2)CN1 ZINC000639552562 565249174 /nfs/dbraw/zinc/24/91/74/565249174.db2.gz BCCAGAXMSGFEIW-XGWLTEMNSA-N 1 0 387.307 2.724 20 0 GFADRO CC(C)(COc1ncccc1Br)[NH2+]C[C@H](O)C[C@@](C)(O)C1CC1 ZINC000639557858 565249645 /nfs/dbraw/zinc/24/96/45/565249645.db2.gz ROOJWIRRSOGKFP-CXAGYDPISA-N 1 0 387.318 2.503 20 0 GFADRO O[C@@H](C[N@@H+]1CCC[C@H]1c1ccc(Br)s1)CC1(O)CCOCC1 ZINC000639577537 565250920 /nfs/dbraw/zinc/25/09/20/565250920.db2.gz KLZLYZNDFAQXHW-OLZOCXBDSA-N 1 0 390.343 2.940 20 0 GFADRO C[C@@H](C[N@H+](C)C[C@@H](O)CC1(O)CCOCC1)Oc1ccc(Cl)c(Cl)c1 ZINC000639605016 565252430 /nfs/dbraw/zinc/25/24/30/565252430.db2.gz AGKVQQFHQWIGQJ-KBPBESRZSA-N 1 0 392.323 2.985 20 0 GFADRO COCC[N@@H+]1CCC[C@H](NC(=O)[C@@H](C)Oc2ccc(Cl)c(Cl)c2)C1 ZINC000592093287 565255372 /nfs/dbraw/zinc/25/53/72/565255372.db2.gz CRQRPZSAILKTHQ-OLZOCXBDSA-N 1 0 375.296 2.988 20 0 GFADRO COCC[N@@H+]1CCC[C@H](NC(=O)CCCOc2cccc(Br)c2)C1 ZINC000592100441 565256103 /nfs/dbraw/zinc/25/61/03/565256103.db2.gz BGXMWWKEMBBIQB-INIZCTEOSA-N 1 0 399.329 2.835 20 0 GFADRO C[C@@H](CCNC(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1)[NH+](C)C ZINC000617750024 565257394 /nfs/dbraw/zinc/25/73/94/565257394.db2.gz XHWVRINJFQANNC-AWEZNQCLSA-N 1 0 386.945 2.883 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)CCC[NH+]1[C@@H](CO)CC[C@@H]1CO ZINC000639782303 565261245 /nfs/dbraw/zinc/26/12/45/565261245.db2.gz PABOZHLCNOIBAG-HZPDHXFCSA-N 1 0 399.329 2.602 20 0 GFADRO Cc1cc(S(=O)(=O)N2CCO[C@H](CCC[NH+](C)C)C2)c(Cl)cc1F ZINC000660157015 565262023 /nfs/dbraw/zinc/26/20/23/565262023.db2.gz NJUMLWJUKTXJQU-CYBMUJFWSA-N 1 0 378.897 2.519 20 0 GFADRO C[NH+](C)CCC[C@H]1CN(S(=O)(=O)c2ccc(Cl)c(F)c2Cl)CCO1 ZINC000660156920 565262194 /nfs/dbraw/zinc/26/21/94/565262194.db2.gz NAHGIEUJHFVZPD-NSHDSACASA-N 1 0 399.315 2.864 20 0 GFADRO C[NH+](C)CCC[C@H]1CN(S(=O)(=O)c2c(Cl)cccc2Cl)CCO1 ZINC000660159618 565262198 /nfs/dbraw/zinc/26/21/98/565262198.db2.gz VUXBSGWYEBGWQJ-LBPRGKRZSA-N 1 0 381.325 2.725 20 0 GFADRO COC(=O)c1cccc(Br)c1CN1CCOC2(CC[NH+](C)CC2)C1 ZINC000592183858 565262414 /nfs/dbraw/zinc/26/24/14/565262414.db2.gz CFGMKZZVXQQATN-UHFFFAOYSA-N 1 0 397.313 2.532 20 0 GFADRO CCO[C@@H]1C[C@@H]([NH2+]C[C@H](O)COc2ccccc2C(F)(F)F)[C@@H]1SC ZINC000592172353 565262448 /nfs/dbraw/zinc/26/24/48/565262448.db2.gz DOTUEHUJTCUSEP-ZCDTZLGTSA-N 1 0 379.444 2.944 20 0 GFADRO COCc1cc(Cl)cc(S(=O)(=O)NC[C@H]2CCC[N@H+](CC3CC3)C2)c1 ZINC000660178224 565264159 /nfs/dbraw/zinc/26/41/59/565264159.db2.gz CJQHAXSYKYWVMT-OAHLLOKOSA-N 1 0 386.945 2.887 20 0 GFADRO O=C(C[C@H]1CCC[NH2+]1)NCc1cc(Cl)cc(I)c1 ZINC000592255540 565264313 /nfs/dbraw/zinc/26/43/13/565264313.db2.gz OVRFTCXJUQPSCQ-GFCCVEGCSA-N 1 0 378.641 2.703 20 0 GFADRO Cc1cc(Br)cc(Cl)c1NC(=O)C(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000617886793 565265090 /nfs/dbraw/zinc/26/50/90/565265090.db2.gz BVTINZBREGRJCE-LLVKDONJSA-N 1 0 388.693 2.560 20 0 GFADRO CN1CC(=O)N(CC[NH2+][C@@H](c2ccc(Br)cc2)C2CCC2)C1=O ZINC000660190577 565265846 /nfs/dbraw/zinc/26/58/46/565265846.db2.gz UIBXPERPXHGZKW-MRXNPFEDSA-N 1 0 380.286 2.774 20 0 GFADRO CCN(C(=O)CCNC(=O)c1ccc(Br)cc1)[C@@H]1CC[N@H+](CC)C1 ZINC000617933043 565267977 /nfs/dbraw/zinc/26/79/77/565267977.db2.gz DVVCLFHKDBLPJD-MRXNPFEDSA-N 1 0 396.329 2.512 20 0 GFADRO CC(C)(C)OC(=O)[C@@H]1CC[C@H]([NH2+]Cc2ccc(S(N)(=O)=O)c(Cl)c2)C1 ZINC000592379386 565272401 /nfs/dbraw/zinc/27/24/01/565272401.db2.gz NEVJDVUGFJXZPV-OLZOCXBDSA-N 1 0 388.917 2.587 20 0 GFADRO CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)c2cccc(N3CCCS3(=O)=O)c2)[C@@H]1SC ZINC000592395131 565273980 /nfs/dbraw/zinc/27/39/80/565273980.db2.gz PLEYWEANOZZOJS-LIRZEXBASA-N 1 0 384.567 2.786 20 0 GFADRO Cc1ccc2c(c1Br)CN(C(=O)NCCCC[NH+]1CCOCC1)C2 ZINC000660403835 565274073 /nfs/dbraw/zinc/27/40/73/565274073.db2.gz UCJISJBHNYFBGK-UHFFFAOYSA-N 1 0 396.329 2.895 20 0 GFADRO CC[N@@H+](Cc1cccc(Br)c1)C[C@H](O)CN1C[C@@H](C)O[C@@H](C)C1 ZINC000592390236 565274196 /nfs/dbraw/zinc/27/41/96/565274196.db2.gz ZZMGLTJEQYTWRF-DAYGRLMNSA-N 1 0 385.346 2.741 20 0 GFADRO C[C@H](OC[C@H](O)C[N@@H+]1C[C@@H](CO)[C@H](C(F)(F)F)C1)c1ccc(Cl)cc1 ZINC000640041296 565275482 /nfs/dbraw/zinc/27/54/82/565275482.db2.gz UPVAXOOSXRQSOQ-DDUYRFODSA-N 1 0 381.822 2.881 20 0 GFADRO OC[C@@H]1C[N@H+](C[C@@H](O)COc2cc(Cl)cc(Cl)c2)C[C@H]1C(F)(F)F ZINC000640046003 565275771 /nfs/dbraw/zinc/27/57/71/565275771.db2.gz QQEKQFHGNJQKFW-MRCXROJRSA-N 1 0 388.213 2.836 20 0 GFADRO COC(=O)[C@H]1C[NH2+]CCCN1Cc1ccc(Br)cc1C(F)(F)F ZINC000592434708 565276774 /nfs/dbraw/zinc/27/67/74/565276774.db2.gz NEVSITHIHIETIW-CYBMUJFWSA-N 1 0 395.219 2.805 20 0 GFADRO C[NH+]1CCC(CC(=O)N2CCN(c3ccc(Br)cc3)CC2)CC1 ZINC000618180456 565277297 /nfs/dbraw/zinc/27/72/97/565277297.db2.gz ARXBTEAQFQKQLO-UHFFFAOYSA-N 1 0 380.330 2.830 20 0 GFADRO [NH3+]C[C@@H]1CCCn2ncc(C(=O)Nc3ccc(I)cc3)c21 ZINC000592477102 565278608 /nfs/dbraw/zinc/27/86/08/565278608.db2.gz WFRQUTSZOUPMNW-JTQLQIEISA-N 1 0 396.232 2.576 20 0 GFADRO O=C(NCc1cccc(Br)c1)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000660503060 565278905 /nfs/dbraw/zinc/27/89/05/565278905.db2.gz JFFCLHGCQDJEDZ-MRXNPFEDSA-N 1 0 382.302 2.502 20 0 GFADRO CCCOc1c(Br)cc(C(=O)N(C)CC2C[NH+](C)C2)cc1OC ZINC000618197325 565279305 /nfs/dbraw/zinc/27/93/05/565279305.db2.gz HFGNWWZXOGLPJE-UHFFFAOYSA-N 1 0 385.302 2.880 20 0 GFADRO CO[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+][C@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000660534232 565281447 /nfs/dbraw/zinc/28/14/47/565281447.db2.gz DHUPCXOEJPWYRO-YHUYYLMFSA-N 1 0 377.428 2.743 20 0 GFADRO Cc1nn(C)c(NC(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)c1Br ZINC000640164068 565281882 /nfs/dbraw/zinc/28/18/82/565281882.db2.gz GLTABWPNSNYASQ-ZDUSSCGKSA-N 1 0 384.322 2.973 20 0 GFADRO COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)c1ccc2cc(Br)ccc2c1 ZINC000592557506 565282200 /nfs/dbraw/zinc/28/22/00/565282200.db2.gz YVXBOUCGEIVTFD-INIZCTEOSA-N 1 0 391.265 2.579 20 0 GFADRO Cc1cccc(CNC(=O)c2cnn3c2[C@H](C[NH3+])CCC3)c1Br ZINC000592563505 565282284 /nfs/dbraw/zinc/28/22/84/565282284.db2.gz YVNHBSPJWGZWJF-LBPRGKRZSA-N 1 0 377.286 2.720 20 0 GFADRO COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)c1sc(-c2ccc(Cl)s2)nc1C ZINC000592554327 565282385 /nfs/dbraw/zinc/28/23/85/565282385.db2.gz KYFUWOCGWNQJNC-JTQLQIEISA-N 1 0 399.925 2.811 20 0 GFADRO C[NH+](C)[C@]1(CNC(=O)N[C@H](CO)c2cccc(Cl)c2Cl)CCSC1 ZINC000660826124 565295763 /nfs/dbraw/zinc/29/57/63/565295763.db2.gz ZKBHFANCOCVPEI-CJNGLKHVSA-N 1 0 392.352 2.763 20 0 GFADRO COC(=O)CCN(Cc1cccc(Br)c1)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000592793150 565296418 /nfs/dbraw/zinc/29/64/18/565296418.db2.gz LPUDUPVGAGOOLB-CZUORRHYSA-N 1 0 397.313 2.681 20 0 GFADRO O=C(Nc1nn(CC(F)(F)F)cc1Cl)NC1CC([NH+]2CCCCC2)C1 ZINC000640302520 565297164 /nfs/dbraw/zinc/29/71/64/565297164.db2.gz RGDDKFMSWJXEBQ-UHFFFAOYSA-N 1 0 379.814 3.237 20 0 GFADRO C[NH+](C)C1(CNC(=O)N2CCOc3cc(Br)ccc3C2)CCC1 ZINC000661052309 565303493 /nfs/dbraw/zinc/30/34/93/565303493.db2.gz UJIVHCKMJGVCNL-UHFFFAOYSA-N 1 0 382.302 2.837 20 0 GFADRO CCC[N@@H+]1CC[C@H](NC(=O)N[C@@H]2COc3cc(F)c(Br)cc32)C1 ZINC000661136074 565308972 /nfs/dbraw/zinc/30/89/72/565308972.db2.gz HVYOVBODHMSTHV-IINYFYTJSA-N 1 0 386.265 2.805 20 0 GFADRO Cc1cc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](Cn3ccnn3)C2)ccc1Br ZINC000661141425 565310469 /nfs/dbraw/zinc/31/04/69/565310469.db2.gz PNEZHZPBJHODLM-ZIAGYGMSSA-N 1 0 392.301 2.698 20 0 GFADRO COC[C@@H]([NH2+]CC(=O)Nc1ccc(C)cc1Br)C1CCOCC1 ZINC000661158972 565311564 /nfs/dbraw/zinc/31/15/64/565311564.db2.gz RCPUFSFOYRWGEL-MRXNPFEDSA-N 1 0 385.302 2.727 20 0 GFADRO C[C@@H](NC(=O)C[N@@H+]1C[C@@H]2CC[C@H](O)C[C@@H]2C1)c1ccc(Br)cc1 ZINC000661197659 565314203 /nfs/dbraw/zinc/31/42/03/565314203.db2.gz FZOBXALPCHZLDM-JWDQPFGJSA-N 1 0 381.314 2.719 20 0 GFADRO CO[C@@H]1CCC[C@H]([C@H](CO)[NH2+]CC(=O)Nc2ccc(C)cc2Br)C1 ZINC000661216833 565314233 /nfs/dbraw/zinc/31/42/33/565314233.db2.gz HYIWEIJDYHVEIC-VBQJREDUSA-N 1 0 399.329 2.852 20 0 GFADRO C[N@H+](CC(=O)N1CCOC[C@@H]1c1cccc(Br)c1)[C@H]1CCSC1 ZINC000618773549 565316390 /nfs/dbraw/zinc/31/63/90/565316390.db2.gz MMCUUUILOWRZAD-JKSUJKDBSA-N 1 0 399.354 2.786 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)N[C@@H](CO)c1ccc(Br)cc1 ZINC000661404073 565322512 /nfs/dbraw/zinc/32/25/12/565322512.db2.gz SJJGXYVMDXQRIK-CABCVRRESA-N 1 0 384.318 2.655 20 0 GFADRO C[C@H](CO)[C@H]1CCCC[N@@H+]1CC(=O)c1c[nH]c2ncc(Br)cc12 ZINC000661440408 565323566 /nfs/dbraw/zinc/32/35/66/565323566.db2.gz HGRDAUXMMUHOSG-IAQYHMDHSA-N 1 0 380.286 2.991 20 0 GFADRO C[C@H]1COC2(CCC2)C[N@@H+]1C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000661470078 565324811 /nfs/dbraw/zinc/32/48/11/565324811.db2.gz RCPVGHZKFPOEFL-SWLSCSKDSA-N 1 0 388.277 2.971 20 0 GFADRO C[C@@H]1CCC[N@H+](CC(=O)N(C)Cc2cc(Br)cs2)[C@@H]1CCO ZINC000661489195 565326255 /nfs/dbraw/zinc/32/62/55/565326255.db2.gz ABZZDXCREILJKJ-IUODEOHRSA-N 1 0 389.359 2.952 20 0 GFADRO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[N@@H+]1CC[C@H]2NC(=O)CC[C@@H]2C1 ZINC000661600073 565330014 /nfs/dbraw/zinc/33/00/14/565330014.db2.gz LGWKHRMJVBPERD-CZUORRHYSA-N 1 0 384.307 2.552 20 0 GFADRO C[C@H](NC(=O)C[N@@H+]1CC[C@@H]2NC(=O)CC[C@@H]2C1)c1ccc(Cl)cc1Cl ZINC000661596552 565330058 /nfs/dbraw/zinc/33/00/58/565330058.db2.gz DIPNCQFTZOATOM-OZVIIMIRSA-N 1 0 384.307 2.771 20 0 GFADRO [NH3+]CCOCc1cn(Cc2csc(-c3ccc(Br)cc3)n2)nn1 ZINC000640845300 565331191 /nfs/dbraw/zinc/33/11/91/565331191.db2.gz PAIOIHFGKWOQTK-UHFFFAOYSA-N 1 0 394.298 2.688 20 0 GFADRO COc1ccc(Br)cc1Cn1cc([C@H]([NH3+])C2CCOCC2)nn1 ZINC000640876089 565333550 /nfs/dbraw/zinc/33/35/50/565333550.db2.gz BRSMVSVYPNOGGI-MRXNPFEDSA-N 1 0 381.274 2.524 20 0 GFADRO C[C@]12COC[C@@H]1C[N@H+](C[C@@H](O)COc1ccc(Cl)cc1Br)C2 ZINC000661703139 565335173 /nfs/dbraw/zinc/33/51/73/565335173.db2.gz IMJAYLAQQKWGQR-GHJWDPDVSA-N 1 0 390.705 2.811 20 0 GFADRO C[C@H](C(=O)Nc1ccccc1Br)n1cc(C[C@@H]2CCC[NH2+]C2)nn1 ZINC000640902032 565336033 /nfs/dbraw/zinc/33/60/33/565336033.db2.gz VTGCLUBTOVQIJY-OLZOCXBDSA-N 1 0 392.301 2.782 20 0 GFADRO CC(C)(C)CCNC(=O)Cn1cc([C@H]([NH3+])c2ccc(Br)cc2)nn1 ZINC000640976398 565339668 /nfs/dbraw/zinc/33/96/68/565339668.db2.gz MTBVHFCWNSMOOE-MRXNPFEDSA-N 1 0 394.317 2.641 20 0 GFADRO Clc1ccc(-c2nnc(Cn3cc(C[C@@H]4CC[NH2+]C4)nn3)o2)c(Cl)c1 ZINC000640993766 565340829 /nfs/dbraw/zinc/34/08/29/565340829.db2.gz GPRZGCGLVKNQBD-JTQLQIEISA-N 1 0 379.251 2.835 20 0 GFADRO CS[C@@H]1CN(C(=O)c2cnc(-c3ccccc3Cl)nc2)C[C@H]1[NH+](C)C ZINC000593562418 565341759 /nfs/dbraw/zinc/34/17/59/565341759.db2.gz VPUFRTIZBQYZHJ-HZPDHXFCSA-N 1 0 376.913 2.915 20 0 GFADRO CC(C)c1nnc(Cn2cc([C@@H]([NH3+])c3ccc(Br)cc3)nn2)o1 ZINC000641035828 565341861 /nfs/dbraw/zinc/34/18/61/565341861.db2.gz BRFMQRPBYQTPHM-AWEZNQCLSA-N 1 0 377.246 2.643 20 0 GFADRO CCCCCOc1ccc(Br)cc1Cn1cc([C@H]([NH3+])CO)nn1 ZINC000641030012 565342557 /nfs/dbraw/zinc/34/25/57/565342557.db2.gz OEFRVFDGAZFJRC-CQSZACIVSA-N 1 0 383.290 2.650 20 0 GFADRO CN(Cc1ccc(Br)cc1)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000661971740 565343915 /nfs/dbraw/zinc/34/39/15/565343915.db2.gz GWNYGPBUHHIXIT-QGZVFWFLSA-N 1 0 396.329 2.844 20 0 GFADRO O=C(Cc1cccc(I)c1)NCC12CCC[NH+]1CCC2 ZINC000619574126 565349209 /nfs/dbraw/zinc/34/92/09/565349209.db2.gz RGHGMHZVYFSGGB-UHFFFAOYSA-N 1 0 384.261 2.578 20 0 GFADRO CCc1nc(C)c(Cn2cc([C@H]([NH3+])c3ccc(Br)cc3)nn2)o1 ZINC000641154905 565349802 /nfs/dbraw/zinc/34/98/02/565349802.db2.gz NSWNGVRPGUIHEU-MRXNPFEDSA-N 1 0 376.258 2.996 20 0 GFADRO Cc1c(I)cccc1C(=O)NCC12CCC[NH+]1CCC2 ZINC000619573959 565350070 /nfs/dbraw/zinc/35/00/70/565350070.db2.gz GRCXPVCKQXGFSF-UHFFFAOYSA-N 1 0 384.261 2.958 20 0 GFADRO O=C1Nc2ccc(Br)cc2CC[C@H]1n1cc([C@@H]2CCC[NH2+]C2)nn1 ZINC000641164386 565351335 /nfs/dbraw/zinc/35/13/35/565351335.db2.gz IOMNCPBNVXNPGC-MLGOLLRUSA-N 1 0 390.285 2.634 20 0 GFADRO C[C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000662153014 565351321 /nfs/dbraw/zinc/35/13/21/565351321.db2.gz LZQOQADCDQYZAF-DOMZBBRYSA-N 1 0 386.323 2.851 20 0 GFADRO C[C@@H](c1ncc(Br)cn1)n1cc(C[C@H]([NH3+])Cc2ccccc2)nn1 ZINC000641176278 565352279 /nfs/dbraw/zinc/35/22/79/565352279.db2.gz MWVQYICNRUYWKH-SWLSCSKDSA-N 1 0 387.285 2.552 20 0 GFADRO C[NH+]1CCN(Cc2cn(Cc3oc4ccccc4c3Br)nn2)CC1 ZINC000641210636 565354251 /nfs/dbraw/zinc/35/42/51/565354251.db2.gz YMRRDFMBFJPHFW-UHFFFAOYSA-N 1 0 390.285 2.583 20 0 GFADRO C[C@@H]1CN(C[C@H](O)C[NH2+]CC(C)(C)c2ccc(Br)cc2)C[C@H](C)O1 ZINC000619742082 565357863 /nfs/dbraw/zinc/35/78/63/565357863.db2.gz NSPIUIWGSUCEEZ-RVKKMQEKSA-N 1 0 399.373 2.786 20 0 GFADRO COc1ncc(Br)cc1CN1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000662286579 565358995 /nfs/dbraw/zinc/35/89/95/565358995.db2.gz QVCUQPREZNFRSB-MAZHCROVSA-N 1 0 384.318 2.571 20 0 GFADRO COC(=O)c1cc(NC(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)ccc1Br ZINC000593764436 565359587 /nfs/dbraw/zinc/35/95/87/565359587.db2.gz VPGZGSWHSBROIV-GTNSWQLSSA-N 1 0 396.285 2.828 20 0 GFADRO C[NH+](C)CCC[C@@H]1CN(C[C@@H](O)COc2cc(Cl)ccc2Cl)CCO1 ZINC000662321198 565360712 /nfs/dbraw/zinc/36/07/12/565360712.db2.gz ZHAVIPXFEKTWCS-HZPDHXFCSA-N 1 0 391.339 2.776 20 0 GFADRO CCC[N@@H+]1CC[C@@H](NC(=O)c2nn(-c3ccc(F)cc3)cc2Br)C1 ZINC000619900392 565361692 /nfs/dbraw/zinc/36/16/92/565361692.db2.gz UXKPODGDSGXTCS-CYBMUJFWSA-N 1 0 395.276 2.988 20 0 GFADRO CN(C)S(=O)(=O)c1cc(NC(=O)C[N@H+](C)C[C@@H]2CC2(C)C)ccc1Cl ZINC000662344850 565361947 /nfs/dbraw/zinc/36/19/47/565361947.db2.gz FNPLAINXHUSWLP-LBPRGKRZSA-N 1 0 387.933 2.507 20 0 GFADRO CCC[N@@H+]1CC[C@H](NC(=O)c2ccc(-n3cc(Br)cn3)cc2)C1 ZINC000619896527 565362689 /nfs/dbraw/zinc/36/26/89/565362689.db2.gz YLHXJFJJPOHUJW-HNNXBMFYSA-N 1 0 377.286 2.849 20 0 GFADRO COc1ccc(CNC(=O)c2cc(C3CC[NH2+]CC3)no2)cc1Br ZINC000662437524 565367283 /nfs/dbraw/zinc/36/72/83/565367283.db2.gz RZOQYRHGZLUHFQ-UHFFFAOYSA-N 1 0 394.269 2.843 20 0 GFADRO CC(C)OC[C@H]([NH3+])C(=O)N1CCO[C@@H](c2cc(F)c(Cl)cc2Cl)C1 ZINC000662450022 565368488 /nfs/dbraw/zinc/36/84/88/565368488.db2.gz ZEDBQURUZNYDPQ-LSDHHAIUSA-N 1 0 379.259 2.785 20 0 GFADRO Cc1c(Br)cccc1NC(=O)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC000662467654 565369976 /nfs/dbraw/zinc/36/99/76/565369976.db2.gz WUIDEHNBIPGHAH-LBPRGKRZSA-N 1 0 378.274 2.916 20 0 GFADRO N[C@H](C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1)c1ccccc1Br ZINC000662468831 565370054 /nfs/dbraw/zinc/37/00/54/565370054.db2.gz UIMQKCFOTSTQME-YOEHRIQHSA-N 1 0 380.330 2.926 20 0 GFADRO COc1cc(NC(=O)c2cn[nH]c2[C@H]2CC[NH2+]C2)cc(OC)c1Br ZINC000662510633 565374022 /nfs/dbraw/zinc/37/40/22/565374022.db2.gz CYRBKYWUQKIYPI-VIFPVBQESA-N 1 0 395.257 2.519 20 0 GFADRO CN(C)Cc1ccc(NC(=O)c2cn[nH]c2[C@H]2CC[NH2+]C2)cc1Br ZINC000662534945 565374867 /nfs/dbraw/zinc/37/48/67/565374867.db2.gz HHMHBFJLSATOOI-NSHDSACASA-N 1 0 392.301 2.563 20 0 GFADRO COc1cc(Br)c(CNC(=O)c2cc(C(C)(C)[NH3+])no2)cc1OC ZINC000662569253 565377340 /nfs/dbraw/zinc/37/73/40/565377340.db2.gz PHJOPSONPDLCTA-UHFFFAOYSA-N 1 0 398.257 2.578 20 0 GFADRO CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)[C@@H](N)c2ccccc2Br)CC1 ZINC000662579094 565378465 /nfs/dbraw/zinc/37/84/65/565378465.db2.gz ZDADSODZVPTARI-JKSUJKDBSA-N 1 0 380.330 2.686 20 0 GFADRO Cc1cc(Br)c(CNC(=O)[C@]2([NH3+])[C@@H]3CCCO[C@H]3C2(C)C)s1 ZINC000662667687 565381109 /nfs/dbraw/zinc/38/11/09/565381109.db2.gz CKPOOTRLGOOEMT-CKUKBARFSA-N 1 0 387.343 2.968 20 0 GFADRO CCO[C@H]1C[C@]([NH3+])(C(=O)N2CCc3sc(Br)cc3C2)C1(C)C ZINC000662688806 565381527 /nfs/dbraw/zinc/38/15/27/565381527.db2.gz OXSVWKFOXIJCKL-LRDDRELGSA-N 1 0 387.343 2.928 20 0 GFADRO Cn1ncc(C2CCC2)c1CNC(=O)[C@](C)([NH3+])c1ccc(Br)cc1 ZINC000662701827 565382308 /nfs/dbraw/zinc/38/23/08/565382308.db2.gz SZZPDLQQUFZUTP-GOSISDBHSA-N 1 0 391.313 2.940 20 0 GFADRO Cc1ccc(NC(=O)C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)c(Br)c1 ZINC000594361873 565382354 /nfs/dbraw/zinc/38/23/54/565382354.db2.gz LEIVILGWDTWKMI-CQSZACIVSA-N 1 0 394.313 2.783 20 0 GFADRO [NH3+]CC12CC(C1)CN2C(=O)[C@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 ZINC000662677567 565382505 /nfs/dbraw/zinc/38/25/05/565382505.db2.gz MKUFHHKJZXAXJM-YSTGTXGZSA-N 1 0 382.291 2.548 20 0 GFADRO CN(C)Cc1ccc(NC(=O)[C@@]2(C(F)(F)F)CC[NH2+]C2)cc1Br ZINC000662796634 565384560 /nfs/dbraw/zinc/38/45/60/565384560.db2.gz PAXIWAKXBSUSES-CQSZACIVSA-N 1 0 394.235 2.991 20 0 GFADRO COCCOc1ccc(Br)cc1NC(=O)c1cc(C(C)(C)[NH3+])no1 ZINC000662787808 565384876 /nfs/dbraw/zinc/38/48/76/565384876.db2.gz GJNMFZFSVXOJQF-UHFFFAOYSA-N 1 0 398.257 2.908 20 0 GFADRO Cc1cccc(S(=O)(=O)N2CCC3(C2)CC[NH+](C)CC3)c1Br ZINC000641587901 565385135 /nfs/dbraw/zinc/38/51/35/565385135.db2.gz RZOVYFRSVIRTEY-UHFFFAOYSA-N 1 0 387.343 2.864 20 0 GFADRO O=C(N1CCC([N@@H+]2CC[C@@H](O)C2)CC1)C1(c2cccc(Br)c2)CC1 ZINC000620491790 565386402 /nfs/dbraw/zinc/38/64/02/565386402.db2.gz QQKDWNLLVYPVTA-QGZVFWFLSA-N 1 0 393.325 2.538 20 0 GFADRO O=C(NC[C@@H]1CCN(c2ccccc2Cl)C1)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662846586 565387519 /nfs/dbraw/zinc/38/75/19/565387519.db2.gz OKFDVOFEWAXHFD-BLLLJJGKSA-N 1 0 375.822 2.825 20 0 GFADRO CC[NH+](CC)C[C@H](C)NC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000620550655 565388559 /nfs/dbraw/zinc/38/85/59/565388559.db2.gz YZOMEQCEJIIITM-ZDUSSCGKSA-N 1 0 388.343 2.950 20 0 GFADRO O=C(C[C@H]1CSCC[NH2+]1)N1CCc2[nH]c3ccc(Br)cc3c2C1 ZINC000662864715 565388685 /nfs/dbraw/zinc/38/86/85/565388685.db2.gz VRXUPUFVMZCNLQ-LBPRGKRZSA-N 1 0 394.338 2.910 20 0 GFADRO CS(=O)(=O)CCC[NH2+]Cc1cc(Br)sc1Br ZINC000641717042 565396314 /nfs/dbraw/zinc/39/63/14/565396314.db2.gz WQPXITJOGGOHGA-UHFFFAOYSA-N 1 0 391.150 2.797 20 0 GFADRO CC(C)[C@@H](C[NH2+]Cc1ccc(S(N)(=O)=O)c(Cl)c1)C(=O)OC(C)(C)C ZINC000594519489 565396848 /nfs/dbraw/zinc/39/68/48/565396848.db2.gz RPUKBFRJAFCTQK-CYBMUJFWSA-N 1 0 390.933 2.691 20 0 GFADRO CC[C@@H]1CN(C(=O)c2cnc3ccc(Br)cc3c2O)C[C@H](C)[NH2+]1 ZINC000620902308 565400452 /nfs/dbraw/zinc/40/04/52/565400452.db2.gz RRRRPHKVYYJINL-CMPLNLGQSA-N 1 0 378.270 2.503 20 0 GFADRO C[C@@H](Oc1ccccc1Br)C(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000620970160 565402972 /nfs/dbraw/zinc/40/29/72/565402972.db2.gz MAKVEUUGLRWFBK-HUUCEWRRSA-N 1 0 399.329 2.786 20 0 GFADRO CN(C)c1nc2sc(C(=O)N3CCO[C@@H](CCC[NH+](C)C)C3)cc2s1 ZINC000620968268 565403148 /nfs/dbraw/zinc/40/31/48/565403148.db2.gz PHDWPKXMBCPCIL-LBPRGKRZSA-N 1 0 382.555 2.607 20 0 GFADRO C[NH+](C)CCC[C@@H]1CN(C(=O)c2c[nH]c3ncc(Br)cc23)CCO1 ZINC000620976644 565403195 /nfs/dbraw/zinc/40/31/95/565403195.db2.gz JPGAHTLWPVEVLO-CYBMUJFWSA-N 1 0 395.301 2.508 20 0 GFADRO C[NH+](C)CCC[C@H]1CN(C(=O)Cc2cc(Br)ccc2F)CCO1 ZINC000620972166 565403269 /nfs/dbraw/zinc/40/32/69/565403269.db2.gz XWFLJLJFVFLNTP-HNNXBMFYSA-N 1 0 387.293 2.700 20 0 GFADRO C[NH+](C)CCC[C@H]1CN(C(=O)Cc2sccc2Br)CCO1 ZINC000620978649 565403484 /nfs/dbraw/zinc/40/34/84/565403484.db2.gz LVVMNWXTCNMDII-LBPRGKRZSA-N 1 0 375.332 2.622 20 0 GFADRO CO[C@@H](C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1)c1ccccc1Br ZINC000620979411 565403537 /nfs/dbraw/zinc/40/35/37/565403537.db2.gz FYRJLKHUEKAASE-WMLDXEAASA-N 1 0 399.329 2.706 20 0 GFADRO Cc1nc(C(=O)N2CC[NH2+][C@@H](C(C)C)C2)nn1-c1c(Cl)cccc1Cl ZINC000621152977 565408534 /nfs/dbraw/zinc/40/85/34/565408534.db2.gz IJRUPEQHLYTPDY-CQSZACIVSA-N 1 0 382.295 2.953 20 0 GFADRO C[C@H](NC1CC[NH+]([C@H]2CCOC2)CC1)C(=O)Nc1ccccc1Br ZINC000663304413 565411844 /nfs/dbraw/zinc/41/18/44/565411844.db2.gz QGBNIWBMXUFWQS-ZFWWWQNUSA-N 1 0 396.329 2.619 20 0 GFADRO C[C@H](NC(=O)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1)c1c(Cl)ccc(F)c1Cl ZINC000642719768 565417434 /nfs/dbraw/zinc/41/74/34/565417434.db2.gz CVRZRWSVKRXNGV-CWSCBRNRSA-N 1 0 388.270 2.520 20 0 GFADRO CS[C@H]1CN(S(=O)(=O)Cc2cc(F)ccc2Cl)C[C@@H]1[NH+]1CCCC1 ZINC000594767137 565417489 /nfs/dbraw/zinc/41/74/89/565417489.db2.gz LYRMCSGWWCGUPD-HOTGVXAUSA-N 1 0 392.949 2.821 20 0 GFADRO CC[C@@H](C)Oc1cccc(S(=O)(=O)NCC2(SC)CC[NH+](C)CC2)c1 ZINC000594778609 565420839 /nfs/dbraw/zinc/42/08/39/565420839.db2.gz MFJGNMCKRGZRIA-OAHLLOKOSA-N 1 0 386.583 2.970 20 0 GFADRO O=C1CCCN1C[C@H](O)C[NH2+][C@H]1CCCSc2ccc(Br)cc21 ZINC000663445596 565421288 /nfs/dbraw/zinc/42/12/88/565421288.db2.gz JSLLKYQXHLBUAF-HIFRSBDPSA-N 1 0 399.354 2.949 20 0 GFADRO O=C1CCCN1C[C@@H](O)C[NH2+][C@H]1CCCSc2ccc(Br)cc21 ZINC000663445604 565421872 /nfs/dbraw/zinc/42/18/72/565421872.db2.gz JSLLKYQXHLBUAF-ZFWWWQNUSA-N 1 0 399.354 2.949 20 0 GFADRO O=S(=O)(CCc1ccccc1Br)N1CCC[C@@H](n2ccnc2)C1 ZINC000643193377 565422944 /nfs/dbraw/zinc/42/29/44/565422944.db2.gz ZYAWPQVVGRBXQU-OAHLLOKOSA-N 1 0 398.326 2.855 20 0 GFADRO COC1([C@@H](C)[NH2+]C[C@@H](O)COc2ccc(Cl)c(Cl)c2)CCOCC1 ZINC000643257009 565427916 /nfs/dbraw/zinc/42/79/16/565427916.db2.gz KZDUTCKRUBZPSA-CHWSQXEVSA-N 1 0 378.296 2.907 20 0 GFADRO COC1([C@@H](C)[NH2+]C[C@H](O)COc2ccc(Cl)c(Cl)c2)CCOCC1 ZINC000643257010 565427948 /nfs/dbraw/zinc/42/79/48/565427948.db2.gz KZDUTCKRUBZPSA-OLZOCXBDSA-N 1 0 378.296 2.907 20 0 GFADRO C[C@H](Cc1ccc(F)cc1Cl)[NH2+][C@H]1CCO[C@]2(CCS(=O)(=O)C2)C1 ZINC000643347797 565429699 /nfs/dbraw/zinc/42/96/99/565429699.db2.gz IWFGVTUQDZBENW-ISTRZQFTSA-N 1 0 375.893 2.736 20 0 GFADRO O=C(CC[C@H]1CCC[NH2+]C1)NCCC(=O)Nc1ccc(Br)cc1 ZINC000621627655 565432670 /nfs/dbraw/zinc/43/26/70/565432670.db2.gz GCTIYBPTLACGLY-CYBMUJFWSA-N 1 0 382.302 2.674 20 0 GFADRO O=S(=O)(c1cc(F)ccc1OC(F)F)N1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000643426609 565433046 /nfs/dbraw/zinc/43/30/46/565433046.db2.gz MPYVJJSDKAZEJZ-STQMWFEESA-N 1 0 378.416 2.722 20 0 GFADRO O=C(CCn1cc(Br)cn1)Nc1nc(C2CC[NH2+]CC2)cs1 ZINC000643602821 565435000 /nfs/dbraw/zinc/43/50/00/565435000.db2.gz XLZJAEGTVRQMPR-UHFFFAOYSA-N 1 0 384.303 2.598 20 0 GFADRO CCc1nncn1CC[NH2+]Cc1cc(Cl)ccc1I ZINC000594928904 565435473 /nfs/dbraw/zinc/43/54/73/565435473.db2.gz HVLLDGHURQZAOU-UHFFFAOYSA-N 1 0 390.656 2.888 20 0 GFADRO O=C1CCC[C@@H](C[NH2+]Cc2cc(Cl)ccc2I)N1 ZINC000594937404 565435824 /nfs/dbraw/zinc/43/58/24/565435824.db2.gz IRHUMWRUOABPNR-NSHDSACASA-N 1 0 378.641 2.703 20 0 GFADRO Ic1ccc(OCC[NH2+]Cc2cnc3n2CCC3)cc1 ZINC000594941087 565436178 /nfs/dbraw/zinc/43/61/78/565436178.db2.gz RAHLYTNYCLQRBB-UHFFFAOYSA-N 1 0 383.233 2.603 20 0 GFADRO [NH3+][C@]12CCC[C@@H]1CN(C(=O)c1cn(-c3ccc(Br)cc3)cn1)C2 ZINC000621684998 565437225 /nfs/dbraw/zinc/43/72/25/565437225.db2.gz WRYADMAVXWYBBX-PXAZEXFGSA-N 1 0 375.270 2.588 20 0 GFADRO COc1cc(C[NH2+][C@@H]2CCC[C@@H]([S@](C)=O)C2)cc(Br)c1O ZINC000594966408 565438256 /nfs/dbraw/zinc/43/82/56/565438256.db2.gz RHOBOFDTRGWYQG-ZSMADZGOSA-N 1 0 376.316 2.943 20 0 GFADRO CO[C@@H]1CCC[C@H]([C@@H](CO)[NH2+]Cc2ccc(I)cc2)C1 ZINC000594965023 565438261 /nfs/dbraw/zinc/43/82/61/565438261.db2.gz NKEUAQDANPYHCZ-NUEKZKHPSA-N 1 0 389.277 2.947 20 0 GFADRO C[C@@H]1COCC[C@@H]1Nc1ncnc(N[C@H]2CCOC[C@H]2C)c1Br ZINC000663841586 565438272 /nfs/dbraw/zinc/43/82/72/565438272.db2.gz HARAPHVDLVDPQG-NDBYEHHHSA-N 1 0 385.306 2.913 20 0 GFADRO C[C@@H](CN[C@@H](c1ccc(Br)cc1)C(F)F)N1CC[NH+](C)CC1 ZINC000621752087 565439362 /nfs/dbraw/zinc/43/93/62/565439362.db2.gz UGBNOJJUTSOKDM-WFASDCNBSA-N 1 0 376.289 2.981 20 0 GFADRO O=C(C[NH2+][C@H]1CCc2ccc(I)cc21)NCc1ccco1 ZINC000595003040 565441066 /nfs/dbraw/zinc/44/10/66/565441066.db2.gz BLAFIQWIAZHLTC-HNNXBMFYSA-N 1 0 396.228 2.778 20 0 GFADRO CS[C@H](CO)[C@H](C)[NH2+][C@@H]1CCc2ccc(I)cc21 ZINC000595010624 565442234 /nfs/dbraw/zinc/44/22/34/565442234.db2.gz VMIMVCOFNLXDIM-CUOATXAZSA-N 1 0 377.291 2.981 20 0 GFADRO O=C1C[C@@H](C[NH2+][C@H]2CCc3ccc(I)cc32)CN1C1CC1 ZINC000595044504 565445548 /nfs/dbraw/zinc/44/55/48/565445548.db2.gz BACMHORDBDPPPB-ZBEGNZNMSA-N 1 0 396.272 2.879 20 0 GFADRO Cc1nc(C)c(Br)c(NC2CCC(CS(C)(=O)=O)CC2)n1 ZINC000663948489 565445576 /nfs/dbraw/zinc/44/55/76/565445576.db2.gz ZTSKWOPVOMOPSR-UHFFFAOYSA-N 1 0 376.320 2.871 20 0 GFADRO Fc1cc2ncnc(N3CCC[C@@H](N4CCOCC4)C3)c2cc1Br ZINC000663952923 565445763 /nfs/dbraw/zinc/44/57/63/565445763.db2.gz XXZJXHKZXUFENU-GFCCVEGCSA-N 1 0 395.276 2.832 20 0 GFADRO O[C@@]1(CC[NH2+][C@@H]2CCc3ccc(I)cc32)CCCOC1 ZINC000595046295 565445837 /nfs/dbraw/zinc/44/58/37/565445837.db2.gz KMHQJOBPXWHEMB-HZPDHXFCSA-N 1 0 387.261 2.800 20 0 GFADRO CC[NH+]1CCN(CC(C)(C)Nc2nc(C3CC3)ncc2Br)CC1 ZINC000663985983 565447818 /nfs/dbraw/zinc/44/78/18/565447818.db2.gz ZJTYSTOCLXXRAV-UHFFFAOYSA-N 1 0 382.350 2.945 20 0 GFADRO CCSC1(C[NH2+][C@@H](C)c2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 ZINC000595098257 565447795 /nfs/dbraw/zinc/44/77/95/565447795.db2.gz FTVPCMREPAGJHZ-HNNXBMFYSA-N 1 0 384.567 2.644 20 0 GFADRO C[C@@H]1CN(C(=O)c2cscc2C(F)(F)F)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000621936433 565449812 /nfs/dbraw/zinc/44/98/12/565449812.db2.gz FDJZCHFNAGEQOQ-IUODEOHRSA-N 1 0 375.460 2.865 20 0 GFADRO CCOC(=O)c1cc2cc(S(=O)(=O)NCC3([NH3+])CCCC3)ccc2s1 ZINC000595120145 565450305 /nfs/dbraw/zinc/45/03/05/565450305.db2.gz OEFVVHJBDNLBLL-UHFFFAOYSA-N 1 0 382.507 2.628 20 0 GFADRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1cc(Br)c[nH]c1=O ZINC000621954795 565451186 /nfs/dbraw/zinc/45/11/86/565451186.db2.gz KCWMEXNCSMWZLO-LRDDRELGSA-N 1 0 390.281 2.800 20 0 GFADRO Brc1ccc(N2CC[C@@H]([NH2+]C[C@H]3CNc4ccnn4C3)C2)cc1 ZINC000595148559 565451910 /nfs/dbraw/zinc/45/19/10/565451910.db2.gz YTZSUNBSVGZOJJ-DZGCQCFKSA-N 1 0 376.302 2.556 20 0 GFADRO C[C@H](CNC(=O)[C@H]1C[NH2+]CCC1(F)F)Oc1ccccc1Br ZINC000643983981 565453834 /nfs/dbraw/zinc/45/38/34/565453834.db2.gz DSLYPSAWQPMLJI-GHMZBOCLSA-N 1 0 377.229 2.577 20 0 GFADRO C[C@H]([NH3+])CCNS(=O)(=O)c1cc(Cl)c(Cl)cc1Br ZINC000622015807 565455015 /nfs/dbraw/zinc/45/50/15/565455015.db2.gz LVIUEUSUAABXNC-LURJTMIESA-N 1 0 376.103 2.772 20 0 GFADRO [NH3+][C@]12CCC[C@H]1CN(S(=O)(=O)c1cccc(Cl)c1Br)C2 ZINC000622014910 565455552 /nfs/dbraw/zinc/45/55/52/565455552.db2.gz MROAGBMXWSKNIL-ZANVPECISA-N 1 0 379.707 2.604 20 0 GFADRO [NH3+][C@]12CCC[C@H]1CN(S(=O)(=O)Cc1ccc(Br)cc1Cl)C2 ZINC000622014345 565455605 /nfs/dbraw/zinc/45/56/05/565455605.db2.gz CPFPLRDTLQMELN-FZMZJTMJSA-N 1 0 393.734 2.746 20 0 GFADRO C[C@@H]1CCCN(C(=O)c2ncc(Br)cc2Br)[C@@H]1C[NH3+] ZINC000644063554 565456022 /nfs/dbraw/zinc/45/60/22/565456022.db2.gz HXQJHKYTSDGKCR-LDYMZIIASA-N 1 0 391.107 2.806 20 0 GFADRO COC(=O)c1cc(NC(=O)C2([NH3+])CC3(CCC3)C2)cc(Br)c1F ZINC000595252772 565458636 /nfs/dbraw/zinc/45/86/36/565458636.db2.gz FYNIZJFXTJAUFA-UHFFFAOYSA-N 1 0 385.233 2.975 20 0 GFADRO O=C(CC[NH2+]C1CC1)NCc1cc(Cl)ccc1I ZINC000595255161 565459142 /nfs/dbraw/zinc/45/91/42/565459142.db2.gz ABVMLDLTOUAFLA-UHFFFAOYSA-N 1 0 378.641 2.703 20 0 GFADRO C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000644141173 565460346 /nfs/dbraw/zinc/46/03/46/565460346.db2.gz PRGYVHSIZRWBPP-MIMYLULJSA-N 1 0 379.657 2.686 20 0 GFADRO CC(C)[NH2+]CCCNC(=O)NCCc1ccc(I)cc1 ZINC000595269041 565460478 /nfs/dbraw/zinc/46/04/78/565460478.db2.gz YWRLJKKYCCWQID-UHFFFAOYSA-N 1 0 389.281 2.521 20 0 GFADRO COCCOc1ccc(Br)cc1NC(=O)[C@H]1C[NH2+]CCC1(F)F ZINC000644154854 565461520 /nfs/dbraw/zinc/46/15/20/565461520.db2.gz RARJKEKPJFCMRM-LLVKDONJSA-N 1 0 393.228 2.658 20 0 GFADRO O=C(NCCOCC(F)(F)F)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000622607272 565471917 /nfs/dbraw/zinc/47/19/17/565471917.db2.gz KSODDBJZPYQSTA-ZDUSSCGKSA-N 1 0 379.448 2.838 20 0 GFADRO C[C@H](NC(=O)N1CCO[C@H](CCC[NH+](C)C)C1)c1ccc(Br)cn1 ZINC000664793155 565478702 /nfs/dbraw/zinc/47/87/02/565478702.db2.gz VRCVLYFVFVMNSM-DZGCQCFKSA-N 1 0 399.333 2.657 20 0 GFADRO CCN(C(=O)N[C@@H]1COc2cc(F)c(Br)cc21)[C@@H]1CC[N@H+](C)C1 ZINC000664834301 565480980 /nfs/dbraw/zinc/48/09/80/565480980.db2.gz VUCBSZNVLAPUSS-QMTHXVAHSA-N 1 0 386.265 2.757 20 0 GFADRO CN(C)C(=O)[C@@H]1CCC[C@H]([NH2+]C[C@H](O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000644567863 565483067 /nfs/dbraw/zinc/48/30/67/565483067.db2.gz RUDMAPOUPWYFFR-RDBSUJKOSA-N 1 0 389.323 2.970 20 0 GFADRO COCCOC[C@H](O)C[NH2+]C1CCN(Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000644619775 565485222 /nfs/dbraw/zinc/48/52/22/565485222.db2.gz IMYGXTPXIIOTNM-GOSISDBHSA-N 1 0 391.339 2.571 20 0 GFADRO C[NH+](C)CCn1cc(NC(=O)Cc2noc3ccc(Br)cc23)cn1 ZINC000644614611 565485631 /nfs/dbraw/zinc/48/56/31/565485631.db2.gz HDRYUENHSARSLS-UHFFFAOYSA-N 1 0 392.257 2.530 20 0 GFADRO COC[C@H](C)OC[C@@H](O)C[NH2+][C@H]1CCCN(c2ccc(Cl)cc2Cl)C1 ZINC000644631208 565486191 /nfs/dbraw/zinc/48/61/91/565486191.db2.gz MBHGZQGCUVWSKS-BPUTZDHNSA-N 1 0 391.339 2.964 20 0 GFADRO CC(C)OCC[C@H](O)C[NH2+]Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000644633744 565486311 /nfs/dbraw/zinc/48/63/11/565486311.db2.gz YFWDSHOGVJPAEI-KRWDZBQOSA-N 1 0 382.302 2.900 20 0 GFADRO C[C@@H](CCNC(=O)NCCC(=O)Nc1cc(Cl)cc(Cl)c1)[NH+](C)C ZINC000664968222 565487848 /nfs/dbraw/zinc/48/78/48/565487848.db2.gz NUBWNYHJVGELSL-NSHDSACASA-N 1 0 375.300 2.961 20 0 GFADRO Cc1cc(NC(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)ccc1Br ZINC000665155605 565490903 /nfs/dbraw/zinc/49/09/03/565490903.db2.gz QJTVQBDJWHZMID-HNNXBMFYSA-N 1 0 382.302 2.820 20 0 GFADRO C[N@@H+]1C[C@H]2CCN(Cc3nc(Cc4cccc(Br)c4)no3)[C@H]2C1 ZINC000644734080 565491144 /nfs/dbraw/zinc/49/11/44/565491144.db2.gz ZKLMOSAZGUPFEZ-HIFRSBDPSA-N 1 0 377.286 2.559 20 0 GFADRO O=C(c1nc(C2CC2)ncc1Br)N1CCCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000623055635 565493049 /nfs/dbraw/zinc/49/30/49/565493049.db2.gz YQDRUKSYTZNSHV-KGLIPLIRSA-N 1 0 379.302 2.863 20 0 GFADRO COC(=O)[C@@H](c1cccc(Cl)c1Cl)N(C)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000595848997 565493479 /nfs/dbraw/zinc/49/34/79/565493479.db2.gz LDFPXULZVPOCMI-BLLLJJGKSA-N 1 0 375.296 2.594 20 0 GFADRO O=C(NCCc1ccc(I)s1)c1cccc2c1C[NH2+]C2 ZINC000595930988 565499750 /nfs/dbraw/zinc/49/97/50/565499750.db2.gz SXKYWMKQODUFTI-UHFFFAOYSA-N 1 0 398.269 2.928 20 0 GFADRO COc1cc2[nH+]ccc(N[C@@H](C)[C@@H]3CN(C)CCO3)c2cc1Br ZINC000644872456 565500097 /nfs/dbraw/zinc/50/00/97/565500097.db2.gz CMHBRNSAIROIAN-GTNSWQLSSA-N 1 0 380.286 2.559 20 0 GFADRO Cc1sc2nc(CS[C@H](C)C(=O)N(C)CC(C)(C)[NH3+])[nH]c(=O)c2c1C ZINC000595947704 565500702 /nfs/dbraw/zinc/50/07/02/565500702.db2.gz WFHMVKFWRISYFJ-LLVKDONJSA-N 1 0 382.555 2.831 20 0 GFADRO COC(=O)CC[C@H]([NH3+])C(=O)N[C@H]1CCCCc2cc(Br)ccc21 ZINC000595947851 565501393 /nfs/dbraw/zinc/50/13/93/565501393.db2.gz INMDCQPRGSJVRU-GJZGRUSLSA-N 1 0 383.286 2.613 20 0 GFADRO COC(=O)c1sc2c(c1Br)CN(C(=O)[C@]1(C)CCC[NH2+]C1)C2 ZINC000595988895 565503596 /nfs/dbraw/zinc/50/35/96/565503596.db2.gz FTLUDXGIMCPBCD-OAHLLOKOSA-N 1 0 387.299 2.529 20 0 GFADRO COC(=O)c1sc2c(c1Br)CN(C(=O)c1coc(C[NH3+])c1)C2 ZINC000595988844 565503633 /nfs/dbraw/zinc/50/36/33/565503633.db2.gz DKWZJLJHFYIOHX-UHFFFAOYSA-N 1 0 385.239 2.505 20 0 GFADRO CSc1ccc([C@H](CNc2ncnc3c2NC(=O)CS3)[NH+](C)C)cc1 ZINC000645065946 565511207 /nfs/dbraw/zinc/51/12/07/565511207.db2.gz YJHWRURNCWFTOO-ZDUSSCGKSA-N 1 0 375.523 2.958 20 0 GFADRO O=C(CC[NH2+]CCc1ccc(I)cc1)Nc1cccnc1 ZINC000596065561 565512106 /nfs/dbraw/zinc/51/21/06/565512106.db2.gz SCALZZQVDGEAJR-UHFFFAOYSA-N 1 0 395.244 2.847 20 0 GFADRO Cn1nc2cc(Br)ccc2c1C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000645123856 565513705 /nfs/dbraw/zinc/51/37/05/565513705.db2.gz PGCHLKXNDJTACG-OAHLLOKOSA-N 1 0 391.313 2.940 20 0 GFADRO CCOC1CC(C[NH2+]Cc2cc(C)c(Br)cn2)(N2CCOCC2)C1 ZINC000623508626 565516037 /nfs/dbraw/zinc/51/60/37/565516037.db2.gz CGIVHPSMUKLSLD-UHFFFAOYSA-N 1 0 398.345 2.512 20 0 GFADRO OC[C@]1([C@H]([NH2+]Cc2nc3cc(Br)ccc3[nH]2)C2CC2)CCCO1 ZINC000645266516 565518803 /nfs/dbraw/zinc/51/88/03/565518803.db2.gz JFVYPDJYEHCDJN-SJORKVTESA-N 1 0 380.286 2.735 20 0 GFADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)c1cc(Br)c2ccccc2c1 ZINC000645339260 565520921 /nfs/dbraw/zinc/52/09/21/565520921.db2.gz RSRISKHOBNEWNI-CQSZACIVSA-N 1 0 390.325 2.968 20 0 GFADRO OC[C@]1([NH2+]Cc2cnc3cnccn23)CCc2cc(Br)ccc2C1 ZINC000623645333 565523080 /nfs/dbraw/zinc/52/30/80/565523080.db2.gz XZYPNOHBPLJSGZ-SFHVURJKSA-N 1 0 387.281 2.501 20 0 GFADRO CC(C)(C)n1cc(C[NH2+][C@]2(CO)CCc3cc(Br)ccc3C2)nn1 ZINC000623644865 565523093 /nfs/dbraw/zinc/52/30/93/565523093.db2.gz CIUZMSWQUFSANA-GOSISDBHSA-N 1 0 393.329 2.805 20 0 GFADRO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+][C@H]1CCN(C2CCCCC2)C1=O ZINC000666108945 565523047 /nfs/dbraw/zinc/52/30/47/565523047.db2.gz ZMLNOOMNIJVUIL-BBRMVZONSA-N 1 0 396.329 2.523 20 0 GFADRO CN(CCC[NH+](C)C)CCNC(=O)Nc1ccc(Br)c(F)c1 ZINC000666193841 565527004 /nfs/dbraw/zinc/52/70/04/565527004.db2.gz XXFYMGKNJZIRSM-UHFFFAOYSA-N 1 0 375.286 2.593 20 0 GFADRO CCN(C(=O)Nc1ccc(F)cc1I)[C@H]1CC[N@H+](C)C1 ZINC000596783259 565534641 /nfs/dbraw/zinc/53/46/41/565534641.db2.gz DHWJBSOEOBFNNR-NSHDSACASA-N 1 0 391.228 2.988 20 0 GFADRO C[C@H]1CCC[N@H+](CCNC(=O)c2cc(Br)cc3c2OCCO3)C1 ZINC000666428460 565538287 /nfs/dbraw/zinc/53/82/87/565538287.db2.gz QLWKICIYQUGKIF-LBPRGKRZSA-N 1 0 383.286 2.682 20 0 GFADRO C[N@@H+]1CCN(CCNC(=O)NCc2csc(C(F)(F)F)c2)CC1(C)C ZINC000623997282 565538362 /nfs/dbraw/zinc/53/83/62/565538362.db2.gz HQKUYZHJYKQETK-UHFFFAOYSA-N 1 0 378.464 2.592 20 0 GFADRO COc1cc(Br)cc(NC(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)c1 ZINC000666478851 565539233 /nfs/dbraw/zinc/53/92/33/565539233.db2.gz GTUONRCMOWXSGR-OAHLLOKOSA-N 1 0 398.301 2.833 20 0 GFADRO CN(CCC[NH+](C)C)CCNC(=O)Nc1cc(F)c(Br)c(F)c1 ZINC000666554715 565542255 /nfs/dbraw/zinc/54/22/55/565542255.db2.gz KKQNKIUWFNBMDL-UHFFFAOYSA-N 1 0 393.276 2.732 20 0 GFADRO C[C@H]1C[C@@H]([NH2+]CCCN2CCC[C@H]2C(N)=O)c2cccc(Br)c21 ZINC000624085309 565542609 /nfs/dbraw/zinc/54/26/09/565542609.db2.gz MHGYLIBMQJXZSN-MAZHCROVSA-N 1 0 380.330 2.927 20 0 GFADRO CCCC[N@H+](C)C[C@@H](C)NC(=O)NCc1cc(Br)cnc1OC ZINC000624082442 565542729 /nfs/dbraw/zinc/54/27/29/565542729.db2.gz ZTIBUZKNWHVHQC-GFCCVEGCSA-N 1 0 387.322 2.772 20 0 GFADRO COc1ncc(S(=O)(=O)N(CC[NH+](C)C)Cc2cccs2)cc1Cl ZINC000645597039 565542937 /nfs/dbraw/zinc/54/29/37/565542937.db2.gz ODORMNHXLQEDMX-UHFFFAOYSA-N 1 0 389.930 2.558 20 0 GFADRO COc1ccc2c(c1)C[C@H]([NH2+]Cc1cc(Br)cnc1OC)CO2 ZINC000624134079 565543424 /nfs/dbraw/zinc/54/34/24/565543424.db2.gz HSQZOZNYMKCYFF-AWEZNQCLSA-N 1 0 379.254 2.955 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCN(c2ccc3nncn3n2)C1)c1cccc(Br)c1 ZINC000624113539 565543507 /nfs/dbraw/zinc/54/35/07/565543507.db2.gz HXDGCUYHBUMTHE-SWLSCSKDSA-N 1 0 387.285 2.816 20 0 GFADRO C[N@@H+]1CCC[C@H](NC(=O)Nc2ccc(I)cc2F)C1 ZINC000597016929 565545389 /nfs/dbraw/zinc/54/53/89/565545389.db2.gz FJPRRODVLBCHJD-JTQLQIEISA-N 1 0 377.201 2.646 20 0 GFADRO Cn1cc(Br)c(=O)c(NC(=O)NCCC[N@H+](C)C2CCCCC2)c1 ZINC000666688201 565547789 /nfs/dbraw/zinc/54/77/89/565547789.db2.gz JDSQWMSXZMLFDI-UHFFFAOYSA-N 1 0 399.333 2.924 20 0 GFADRO O[C@@H]1CCN(CC[NH2+][C@@H](c2cccc(Br)c2)C2CCOCC2)C1 ZINC000624231220 565548566 /nfs/dbraw/zinc/54/85/66/565548566.db2.gz STGVDYMWTWQTQL-QZTJIDSGSA-N 1 0 383.330 2.573 20 0 GFADRO Cc1cc(Br)c(F)cc1S(=O)(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000624370184 565553683 /nfs/dbraw/zinc/55/36/83/565553683.db2.gz AXEKFZJRNPIBBZ-QMTHXVAHSA-N 1 0 379.295 2.502 20 0 GFADRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2cccc(Sc3ccccc3)c2)CCCO1 ZINC000624371156 565553707 /nfs/dbraw/zinc/55/37/07/565553707.db2.gz DBYGQZCSVOLJOK-OAHLLOKOSA-N 1 0 378.519 2.576 20 0 GFADRO C[N@H+]1C[C@H]2[C@@H](CCN2S(=O)(=O)c2cc(Cl)ccc2OC(F)(F)F)C1 ZINC000645723292 565555324 /nfs/dbraw/zinc/55/53/24/565555324.db2.gz JYSUAWVPVXFBIM-ONGXEEELSA-N 1 0 384.807 2.563 20 0 GFADRO O=C1CCCN1C[C@H]1CC[N@@H+](Cc2cccc(I)c2)C1 ZINC000597228403 565556726 /nfs/dbraw/zinc/55/67/26/565556726.db2.gz MPOILUBTQYYTJD-AWEZNQCLSA-N 1 0 384.261 2.736 20 0 GFADRO C[C@]12C[NH2+]C[C@@]1(C)CN(S(=O)(=O)c1c(Cl)cccc1C(F)(F)F)C2 ZINC000624412215 565556822 /nfs/dbraw/zinc/55/68/22/565556822.db2.gz NVNNFXVZHSLKOS-OKILXGFUSA-N 1 0 382.835 2.979 20 0 GFADRO O=C(NCC12CCC[NH+]1CCC2)c1cccc(F)c1I ZINC000597587780 565566017 /nfs/dbraw/zinc/56/60/17/565566017.db2.gz XOQWGSBFJAVFRY-UHFFFAOYSA-N 1 0 388.224 2.789 20 0 GFADRO CCCc1ccc(Cl)c(S(=O)(=O)N2CCOC3(CC[NH+](C)CC3)C2)c1 ZINC000645856653 565568191 /nfs/dbraw/zinc/56/81/91/565568191.db2.gz OZDADYFLNGBKGR-UHFFFAOYSA-N 1 0 386.945 2.778 20 0 GFADRO CSc1ccc(S(=O)(=O)N2CCOC3(CC[NH+](C)CC3)C2)cc1Cl ZINC000645856801 565568412 /nfs/dbraw/zinc/56/84/12/565568412.db2.gz ZBMULWAEKGLHHF-UHFFFAOYSA-N 1 0 390.958 2.547 20 0 GFADRO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)c1cccc(F)c1I ZINC000597698114 565570937 /nfs/dbraw/zinc/57/09/37/565570937.db2.gz GCCYNOHKUPVBOZ-BXKDBHETSA-N 1 0 376.213 2.595 20 0 GFADRO [NH3+]C/C=C\CNC(=O)Nc1ccc(CCn2cc(Br)cn2)cc1 ZINC000667134446 565572489 /nfs/dbraw/zinc/57/24/89/565572489.db2.gz ASFIGKWQOPSALG-UPHRSURJSA-N 1 0 378.274 2.525 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)CSc1nncs1 ZINC000597886133 565579165 /nfs/dbraw/zinc/57/91/65/565579165.db2.gz NMGYVJXNMPAZFY-OAHLLOKOSA-N 1 0 377.539 2.538 20 0 GFADRO O=C(Nc1cnn(-c2ccccc2Br)c1)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000667276182 565580129 /nfs/dbraw/zinc/58/01/29/565580129.db2.gz BWKMZENAHAEMFK-WFASDCNBSA-N 1 0 390.285 2.851 20 0 GFADRO COCCOc1c(Cl)cc(NC(=O)N2CCO[C@H]([C@@H](C)[NH3+])C2)cc1Cl ZINC000667318803 565581577 /nfs/dbraw/zinc/58/15/77/565581577.db2.gz YITFREDGAXQVTJ-YGRLFVJLSA-N 1 0 392.283 2.599 20 0 GFADRO CO[C@H](C(=O)Nc1cc(Br)ccc1N1CC[NH+](C)CC1)C1CCC1 ZINC000667350552 565582719 /nfs/dbraw/zinc/58/27/19/565582719.db2.gz LGSUYFRYIJUDCY-KRWDZBQOSA-N 1 0 396.329 2.955 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CN(C(=O)Nc2nnc(-c3c(F)cccc3Cl)s2)CCO1 ZINC000667408777 565585573 /nfs/dbraw/zinc/58/55/73/565585573.db2.gz WRSQINNSVOVDBO-KCJUWKMLSA-N 1 0 385.852 2.578 20 0 GFADRO COc1ccc(CN2CCOC3(CC[NH+](C)CC3)C2)c(Br)c1OC ZINC000646104073 565586863 /nfs/dbraw/zinc/58/68/63/565586863.db2.gz ZLIDTQPJNYFZBD-UHFFFAOYSA-N 1 0 399.329 2.763 20 0 GFADRO O=C([C@H]1CCNC1=O)N(CC[NH+]1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC000667430530 565586966 /nfs/dbraw/zinc/58/69/66/565586966.db2.gz QZKOPVOVHZMFFB-AWEZNQCLSA-N 1 0 384.307 2.554 20 0 GFADRO C[C@H](CNC(=O)[C@@H]1C[C@H]1C1CC[NH2+]CC1)Oc1cccc(Br)c1 ZINC000646114806 565588369 /nfs/dbraw/zinc/58/83/69/565588369.db2.gz LOUBYEWUHHZWCV-OAUYIBNBSA-N 1 0 381.314 2.968 20 0 GFADRO CS(=O)(=O)C[C@H]1CCCN(Cc2cnn(Cc3ccccc3Cl)c2)C1 ZINC000646214123 565590555 /nfs/dbraw/zinc/59/05/55/565590555.db2.gz HTBINZKPBQUNHW-HNNXBMFYSA-N 1 0 381.929 2.841 20 0 GFADRO Cc1cc(Cl)cc(NC(=O)C(=O)N[C@H]2CCC[NH2+]CC2)c1Br ZINC000667504871 565591608 /nfs/dbraw/zinc/59/16/08/565591608.db2.gz SZNAFVXQOUEURE-NSHDSACASA-N 1 0 388.693 2.608 20 0 GFADRO O=C(CCCOc1cccc(Cl)c1Cl)N[C@@H](CO)C[NH+]1CCCC1 ZINC000646220217 565591928 /nfs/dbraw/zinc/59/19/28/565591928.db2.gz MNXKBQREZKJGOB-CYBMUJFWSA-N 1 0 375.296 2.725 20 0 GFADRO CC(C)Sc1c(Cl)cccc1NC(=O)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000667540625 565593043 /nfs/dbraw/zinc/59/30/43/565593043.db2.gz PGJUMFOPBKNCII-DOMZBBRYSA-N 1 0 381.929 2.989 20 0 GFADRO C[C@H]1C[C@@H](NC(=O)C(=O)Nc2ccccc2SCC(F)(F)F)CC[NH2+]1 ZINC000667556478 565594819 /nfs/dbraw/zinc/59/48/19/565594819.db2.gz GNCFFJIFYSEJEI-QWRGUYRKSA-N 1 0 375.416 2.536 20 0 GFADRO CN(CC1C[NH+](C)C1)C(=O)c1ccc(I)c(Cl)c1 ZINC000598162475 565597201 /nfs/dbraw/zinc/59/72/01/565597201.db2.gz INUZGEAANDWENO-UHFFFAOYSA-N 1 0 378.641 2.578 20 0 GFADRO O=C(Nc1ccn(-c2ccc(Br)cc2)n1)N[C@@H]1CCC[NH2+]CC1 ZINC000667639565 565598205 /nfs/dbraw/zinc/59/82/05/565598205.db2.gz RFNFZSBOQUXSIO-CYBMUJFWSA-N 1 0 378.274 2.898 20 0 GFADRO Cn1nc2cc(Br)ccc2c1C(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000646362034 565600011 /nfs/dbraw/zinc/60/00/11/565600011.db2.gz JYQOZEMNLISQAK-QGZVFWFLSA-N 1 0 377.286 2.552 20 0 GFADRO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1Cc1cc2cc(Br)ccc2o1 ZINC000667685816 565601354 /nfs/dbraw/zinc/60/13/54/565601354.db2.gz LNCZTKKYCCSKQX-CYBMUJFWSA-N 1 0 387.299 2.709 20 0 GFADRO COc1ccc(Br)cc1CNC(=O)Nc1cnc2c(c1)C[NH2+]CC2 ZINC000667795835 565606291 /nfs/dbraw/zinc/60/62/91/565606291.db2.gz RJCBPBRKFWESJK-UHFFFAOYSA-N 1 0 391.269 2.820 20 0 GFADRO O=C(NCc1ccc(O)c(Br)c1)Nc1cnc2c(c1)C[NH2+]CC2 ZINC000667798392 565606344 /nfs/dbraw/zinc/60/63/44/565606344.db2.gz AGUWVSPJKQEXMK-UHFFFAOYSA-N 1 0 377.242 2.517 20 0 GFADRO O=C(NCC[N@@H+]1CCCOCC1)Nc1cnc(-c2ccc(Cl)s2)nc1 ZINC000646544785 565607851 /nfs/dbraw/zinc/60/78/51/565607851.db2.gz OEDBLBBWCKNYNM-UHFFFAOYSA-N 1 0 381.889 2.702 20 0 GFADRO C[C@@H](CNC(=O)c1cc(Br)cc2[nH]c(=O)[nH]c21)[N@@H+]1CCC[C@H](C)C1 ZINC000646678195 565613625 /nfs/dbraw/zinc/61/36/25/565613625.db2.gz YKWOJNNDHRDBHX-QWRGUYRKSA-N 1 0 395.301 2.881 20 0 GFADRO CCCN(CC(F)(F)F)C(=O)C[NH2+][C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000625290733 565617774 /nfs/dbraw/zinc/61/77/74/565617774.db2.gz XRVZAILHQAPIEB-LBPRGKRZSA-N 1 0 380.432 2.542 20 0 GFADRO O=C(NCC[N@@H+]1CCCOCC1)Nc1ccc(F)c(Br)c1F ZINC000668040709 565623126 /nfs/dbraw/zinc/62/31/26/565623126.db2.gz CJYHBFPSNFKWOT-UHFFFAOYSA-N 1 0 378.217 2.571 20 0 GFADRO Cc1nc(CSc2ccc(C(=O)N3CCO[C@H]([C@@H](C)[NH3+])C3)cc2)cs1 ZINC000646859449 565623375 /nfs/dbraw/zinc/62/33/75/565623375.db2.gz NYFHCMPGADNEPK-PXAZEXFGSA-N 1 0 377.535 2.932 20 0 GFADRO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C1 ZINC000646917946 565625171 /nfs/dbraw/zinc/62/51/71/565625171.db2.gz KDHDHRLGBIICHA-GHJWDPDVSA-N 1 0 382.291 2.509 20 0 GFADRO C[N@@H+]1C[C@H]2CCN(C(=O)C3(c4ccc(Br)cc4)CCOCC3)[C@H]2C1 ZINC000646915974 565625602 /nfs/dbraw/zinc/62/56/02/565625602.db2.gz YUQVWCVEMUUQKD-PBHICJAKSA-N 1 0 393.325 2.660 20 0 GFADRO CC(C)[N@@H+]1CCCN(C(=O)c2cc(Br)cc3c2OCCO3)CC1 ZINC000668100970 565627250 /nfs/dbraw/zinc/62/72/50/565627250.db2.gz BNTLTXYEGOVMFP-UHFFFAOYSA-N 1 0 383.286 2.777 20 0 GFADRO C[N@@H+]1CCCC[C@H](CNS(=O)(=O)c2cccc(Br)c2F)C1 ZINC000625423977 565629510 /nfs/dbraw/zinc/62/95/10/565629510.db2.gz HOOWLRAQLRNYOS-LLVKDONJSA-N 1 0 379.295 2.598 20 0 GFADRO CN(CC1([NH+](C)C)CCC1)C(=O)c1cc(Br)cc2[nH]c(=O)[nH]c21 ZINC000646963207 565629733 /nfs/dbraw/zinc/62/97/33/565629733.db2.gz FWPCFIWGCBKDQQ-UHFFFAOYSA-N 1 0 381.274 2.587 20 0 GFADRO Cn1nc2cc(Br)ccc2c1C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000646966913 565630314 /nfs/dbraw/zinc/63/03/14/565630314.db2.gz BRYBBAUNAOARTR-LEWSCRJBSA-N 1 0 377.286 2.535 20 0 GFADRO Cc1c(Br)cccc1CS(=O)(=O)NC[C@H]1CCCC[N@@H+](C)C1 ZINC000625425577 565630254 /nfs/dbraw/zinc/63/02/54/565630254.db2.gz QVBYGMLYWGKOKR-CQSZACIVSA-N 1 0 389.359 2.909 20 0 GFADRO O=C(N[C@H]1CCC[NH2+]CC1)[C@H](c1ccc(Br)cc1)N1CCCC1 ZINC000646985662 565631139 /nfs/dbraw/zinc/63/11/39/565631139.db2.gz FQDLGZPQHZTMHF-IRXDYDNUSA-N 1 0 380.330 2.844 20 0 GFADRO CC[C@H]1CN(C(=O)c2nn(-c3ccc(F)cc3)cc2Br)CC[C@H]1[NH3+] ZINC000647008942 565632296 /nfs/dbraw/zinc/63/22/96/565632296.db2.gz WPXDXXYTXXTJIP-XHDPSFHLSA-N 1 0 395.276 2.973 20 0 GFADRO CC[C@H]1CN(C(=O)Cc2csc(NC(=O)c3cccs3)n2)CC[C@H]1[NH3+] ZINC000647006534 565632421 /nfs/dbraw/zinc/63/24/21/565632421.db2.gz RPLDDBFOVAXMPB-WCQYABFASA-N 1 0 378.523 2.585 20 0 GFADRO Cc1csc(C(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)c1I ZINC000598666859 565632560 /nfs/dbraw/zinc/63/25/60/565632560.db2.gz ALHMQKKTWUMMGI-RNCFNFMXSA-N 1 0 376.263 2.615 20 0 GFADRO C[NH+](C)C[C@H]1CCCCN1C(=O)c1cc(Br)cc2c1OCCO2 ZINC000668212117 565633179 /nfs/dbraw/zinc/63/31/79/565633179.db2.gz XNOOOKFRBNWSQH-CYBMUJFWSA-N 1 0 383.286 2.777 20 0 GFADRO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000647034412 565633498 /nfs/dbraw/zinc/63/34/98/565633498.db2.gz OPUKVKAXFWAQMX-DRZSPHRISA-N 1 0 388.270 2.505 20 0 GFADRO COc1ccc(C[C@H](CO)C[NH2+][C@H]2CO[C@H](C3CC3)C2)cc1Br ZINC000668224280 565633986 /nfs/dbraw/zinc/63/39/86/565633986.db2.gz IYRPZHMLZMDKRM-JOQOYGCGSA-N 1 0 384.314 2.766 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)C2(c3ccc(Br)cc3)CC2)CC12CCOCC2 ZINC000647079908 565635444 /nfs/dbraw/zinc/63/54/44/565635444.db2.gz NQEKRZNKDWPTNY-HNNXBMFYSA-N 1 0 393.325 2.695 20 0 GFADRO CC(=O)N[C@@H](Cc1nc([C@H]2CCC[NH2+]2)no1)c1ccc(Br)cc1 ZINC000647155188 565641794 /nfs/dbraw/zinc/64/17/94/565641794.db2.gz TWRRSMAEVPLYBM-KGLIPLIRSA-N 1 0 379.258 2.677 20 0 GFADRO O=S(=O)(c1cc(-c2nc([C@@H]3CCC[NH2+]3)no2)ccc1Cl)N1CCCC1 ZINC000647155548 565642178 /nfs/dbraw/zinc/64/21/78/565642178.db2.gz AHAYIQRFAMFREU-ZDUSSCGKSA-N 1 0 382.873 2.599 20 0 GFADRO CN(C)[C@@H](C[NH2+]Cc1ccc(S(N)(=O)=O)cc1F)c1ccccc1Cl ZINC000647167787 565643337 /nfs/dbraw/zinc/64/33/37/565643337.db2.gz TXFORUPDYKEVKP-KRWDZBQOSA-N 1 0 385.892 2.519 20 0 GFADRO COc1cc(Cl)c(S(=O)(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc1OC ZINC000647237966 565648226 /nfs/dbraw/zinc/64/82/26/565648226.db2.gz BDNNEBRXWUJICY-JSGCOSHPSA-N 1 0 388.917 2.510 20 0 GFADRO Brc1cccc2c(CN3CC[NH+]([C@@H]4CCOC4)CC3)ccnc12 ZINC000668536311 565652552 /nfs/dbraw/zinc/65/25/52/565652552.db2.gz SAHLEYHDBAYZTG-OAHLLOKOSA-N 1 0 376.298 2.904 20 0 GFADRO CN(C)C(=O)CN(CC[NH+](C)C)Cc1csc(-c2ccc(Cl)cc2)n1 ZINC000668559685 565653660 /nfs/dbraw/zinc/65/36/60/565653660.db2.gz MHNDCJIXZPAWHM-UHFFFAOYSA-N 1 0 380.945 2.915 20 0 GFADRO CCS(=O)(=O)NCC[N@@H+]1CC[C@H](Sc2ccc(Br)cc2)C1 ZINC000625703466 565655282 /nfs/dbraw/zinc/65/52/82/565655282.db2.gz HIQHJIWDYTZSPM-AWEZNQCLSA-N 1 0 393.372 2.555 20 0 GFADRO C[C@H](CCC[NH3+])NS(=O)(=O)c1cc(Br)cc(C(F)(F)F)c1 ZINC000647311722 565656495 /nfs/dbraw/zinc/65/64/95/565656495.db2.gz ICCFNVOECFELGN-MRVPVSSYSA-N 1 0 389.237 2.874 20 0 GFADRO COC[C@H](C)OC[C@H](O)C[NH2+][C@H](C)c1cc(F)c(Br)cc1F ZINC000625749904 565657190 /nfs/dbraw/zinc/65/71/90/565657190.db2.gz AVMDMYBSZDDPIB-HBNTYKKESA-N 1 0 382.245 2.790 20 0 GFADRO Cc1c(Cl)cccc1NC(=O)CNC(=O)C[N@@H+]1CC[C@H]2CC[C@@H](C1)S2 ZINC000625776236 565657692 /nfs/dbraw/zinc/65/76/92/565657692.db2.gz XQJGHWZEZCSEAD-KGLIPLIRSA-N 1 0 381.929 2.673 20 0 GFADRO Cc1cccc2nc(CC[NH2+][C@H](C)Cn3cc(Br)ccc3=O)cn21 ZINC000647363670 565658764 /nfs/dbraw/zinc/65/87/64/565658764.db2.gz GVHVUEVYSLHUGA-CYBMUJFWSA-N 1 0 389.297 2.788 20 0 GFADRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)Nc1ccnn1Cc1cccc(Br)c1 ZINC000647475368 565660557 /nfs/dbraw/zinc/66/05/57/565660557.db2.gz JYANDYBWIDSJFS-VXGBXAGGSA-N 1 0 380.290 2.941 20 0 GFADRO C[C@@H]([NH3+])C[C@H](C)NC(=O)Nc1ccnn1Cc1cccc(Br)c1 ZINC000647475365 565660769 /nfs/dbraw/zinc/66/07/69/565660769.db2.gz JYANDYBWIDSJFS-NEPJUHHUSA-N 1 0 380.290 2.941 20 0 GFADRO OC[C@@]1([NH2+]CCO[C@H]2CC2(F)F)CCc2cc(Br)ccc2C1 ZINC000625796025 565660823 /nfs/dbraw/zinc/66/08/23/565660823.db2.gz CVOVNXQIYXXNPE-LSDHHAIUSA-N 1 0 376.241 2.683 20 0 GFADRO CC1(C)CCC[C@@](CO)([NH2+]Cc2nnnn2-c2ccccc2Br)C1 ZINC000625836327 565662469 /nfs/dbraw/zinc/66/24/69/565662469.db2.gz ZTGSVMIXHSFQED-QGZVFWFLSA-N 1 0 394.317 2.846 20 0 GFADRO [NH3+]C1(CNC(=O)Nc2cc(Br)ccc2N2CCCC2)CCOCC1 ZINC000625869168 565663299 /nfs/dbraw/zinc/66/32/99/565663299.db2.gz YVWVTXQPLPOBBF-UHFFFAOYSA-N 1 0 397.317 2.679 20 0 GFADRO CCN(CC[NH3+])C(=O)Nc1cc(Br)cnc1OCC(F)(F)F ZINC000625861534 565663483 /nfs/dbraw/zinc/66/34/83/565663483.db2.gz WAINJEHDXFBRIV-UHFFFAOYSA-N 1 0 385.184 2.598 20 0 GFADRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)Nc1ccnn1Cc1ccc(Br)cc1 ZINC000625880720 565664262 /nfs/dbraw/zinc/66/42/62/565664262.db2.gz KLUPOTTVVGMXIY-LSDHHAIUSA-N 1 0 392.301 2.956 20 0 GFADRO [NH3+]C1(CNC(=O)N[C@@H](c2ccc(F)c(Cl)c2)C(F)(F)F)CCOCC1 ZINC000625883083 565664644 /nfs/dbraw/zinc/66/46/44/565664644.db2.gz MZSUDIQZJOBYPZ-LBPRGKRZSA-N 1 0 383.773 2.890 20 0 GFADRO [NH3+]CC1(NC(=O)N[C@H](c2ccc(F)c(Cl)c2)C(F)(F)F)CCOCC1 ZINC000625882801 565664788 /nfs/dbraw/zinc/66/47/88/565664788.db2.gz ATXWEZZNTYZBSX-GFCCVEGCSA-N 1 0 383.773 2.890 20 0 GFADRO COc1ccc([C@H](C)NC(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)cc1Br ZINC000668844095 565669118 /nfs/dbraw/zinc/66/91/18/565669118.db2.gz CJSCYPNHYVSPDE-ZOWXZIJZSA-N 1 0 382.302 2.912 20 0 GFADRO Cc1cc(Br)c(F)c(C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)c1 ZINC000626008687 565669350 /nfs/dbraw/zinc/66/93/50/565669350.db2.gz GNMPPIJWFNPCNP-CYBMUJFWSA-N 1 0 385.277 2.691 20 0 GFADRO COCC[N@H+](C)C[C@H](O)CN1CCC[C@@H]1c1ccc(Br)cc1C ZINC000626010253 565670919 /nfs/dbraw/zinc/67/09/19/565670919.db2.gz MAIHGBSPYCYYMS-FUHWJXTLSA-N 1 0 385.346 2.834 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)c(C)c1C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000647697750 565672371 /nfs/dbraw/zinc/67/23/71/565672371.db2.gz ICAROFREAPOWHL-AWEZNQCLSA-N 1 0 391.313 2.981 20 0 GFADRO C[C@H]1COCC[N@@H+]1C1CCN(C(=O)Cc2cc(F)ccc2Br)CC1 ZINC000647763604 565674844 /nfs/dbraw/zinc/67/48/44/565674844.db2.gz FQZLOCYIDFIPTB-ZDUSSCGKSA-N 1 0 399.304 2.842 20 0 GFADRO Cc1noc([C@@H]2OCC[C@@H]2[NH2+]C[C@H](O)COc2ccc(Cl)c(Cl)c2)n1 ZINC000626146134 565677550 /nfs/dbraw/zinc/67/75/50/565677550.db2.gz PXWKPWZBQICZKV-NZVBXONLSA-N 1 0 388.251 2.544 20 0 GFADRO Cc1noc([C@@H]2OCC[C@@H]2[NH2+]C[C@H](O)COc2c(Cl)cccc2Cl)n1 ZINC000626146234 565677909 /nfs/dbraw/zinc/67/79/09/565677909.db2.gz SORAIGMIYQMNGK-VZJVUDMVSA-N 1 0 388.251 2.544 20 0 GFADRO Cc1ccc(CC(=O)N2CCOC[C@@H]2[C@@H]2CCC[N@H+]2C)cc1Br ZINC000647822153 565678798 /nfs/dbraw/zinc/67/87/98/565678798.db2.gz QXUNZIULAFNORL-DLBZAZTESA-N 1 0 381.314 2.622 20 0 GFADRO C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)Cc1csc(NC(=O)c2cccs2)n1 ZINC000647832261 565679355 /nfs/dbraw/zinc/67/93/55/565679355.db2.gz XBTIRZOIVWCQQU-WCQYABFASA-N 1 0 378.523 2.550 20 0 GFADRO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)c1cc(=O)[nH]c2c(Br)cccc12 ZINC000647832081 565679394 /nfs/dbraw/zinc/67/93/94/565679394.db2.gz UNFFBYMZSFACSF-QMTHXVAHSA-N 1 0 378.270 2.868 20 0 GFADRO CC(=O)NC[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc(Br)cc1 ZINC000626155844 565679977 /nfs/dbraw/zinc/67/99/77/565679977.db2.gz XYDLIMOQBKYXHQ-INIZCTEOSA-N 1 0 382.302 2.768 20 0 GFADRO CC(=O)N[C@H](CC(=O)N1CC[C@@H]([NH+](C)C)[C@@H]1C)c1ccc(Br)cc1 ZINC000647831956 565680122 /nfs/dbraw/zinc/68/01/22/565680122.db2.gz RVZZDQRBSFIEJN-JCURWCKSSA-N 1 0 396.329 2.567 20 0 GFADRO [NH3+][C@@H](Cc1ccccc1)[C@@H](O)CN1CCc2c(F)cc(Br)cc2C1 ZINC000647891535 565681354 /nfs/dbraw/zinc/68/13/54/565681354.db2.gz NHRFWKRJLDQVJP-OALUTQOASA-N 1 0 393.300 2.877 20 0 GFADRO Cc1cc(Br)c(F)c(C(=O)NCCCC[N@@H+]2CCC[C@H]2CO)c1 ZINC000626201258 565682617 /nfs/dbraw/zinc/68/26/17/565682617.db2.gz ASMXRVCSKIBSRV-ZDUSSCGKSA-N 1 0 387.293 2.863 20 0 GFADRO CC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCO[C@H]2c2cncc(Br)c2)C1 ZINC000669363735 565687377 /nfs/dbraw/zinc/68/73/77/565687377.db2.gz RUXQKYMWYSIUCC-XYPHTWIQSA-N 1 0 396.329 2.722 20 0 GFADRO C[NH+]1CCC(CCO)(NC(=O)c2ccc(OC(F)(F)F)c(Cl)c2)CC1 ZINC000626381832 565690465 /nfs/dbraw/zinc/69/04/65/565690465.db2.gz UUCAMBRIRLQFCL-UHFFFAOYSA-N 1 0 380.794 2.815 20 0 GFADRO C[C@@](Cc1cccc(Br)c1)(NC(=O)COCC[NH3+])c1ccccc1 ZINC000648092111 565691006 /nfs/dbraw/zinc/69/10/06/565691006.db2.gz FXRVCMPRBDIFIO-IBGZPJMESA-N 1 0 391.309 2.999 20 0 GFADRO C[C@H]([NH3+])[C@H]1CN(C(=O)NCc2cc(Cl)cc(Cl)c2OC(F)F)CCO1 ZINC000669526779 565691734 /nfs/dbraw/zinc/69/17/34/565691734.db2.gz NSMFNGHRZCOZGY-QPUJVOFHSA-N 1 0 398.237 2.852 20 0 GFADRO [NH3+]C1(C(=O)N[C@@H]2COc3cc(F)c(Br)cc32)Cc2ccccc2C1 ZINC000648175165 565691982 /nfs/dbraw/zinc/69/19/82/565691982.db2.gz ZDHQNLWEDURREA-OAHLLOKOSA-N 1 0 391.240 2.634 20 0 GFADRO COc1cc(C(=O)N[C@H]2CC[NH2+]C3(CCC3)C2)cc(Br)c1OC ZINC000648186903 565693418 /nfs/dbraw/zinc/69/34/18/565693418.db2.gz GMFCZQRUJJVTKT-LBPRGKRZSA-N 1 0 383.286 2.871 20 0 GFADRO Cn1nc2cc(Br)ccc2c1C(=O)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000648188110 565693704 /nfs/dbraw/zinc/69/37/04/565693704.db2.gz RZUJZBUBSKIRCB-GFCCVEGCSA-N 1 0 377.286 2.740 20 0 GFADRO CC[N@@H+]1CCN(c2nnc(-c3ccc(F)cc3Br)n2C)C[C@H]1C ZINC000669801255 565703652 /nfs/dbraw/zinc/70/36/52/565703652.db2.gz JLRLIOQBHHXZFQ-LLVKDONJSA-N 1 0 382.281 2.914 20 0 GFADRO CCCC[C@@H](C[NH3+])NC(=O)C(=O)Nc1cc(Cl)c(Br)cc1F ZINC000626833589 565711789 /nfs/dbraw/zinc/71/17/89/565711789.db2.gz PFLULWICMRTJRG-QMMMGPOBSA-N 1 0 394.672 2.814 20 0 GFADRO CC[NH+](CC)CC[C@H](CO)NC(=O)c1cc(C)cc(Br)c1F ZINC000626811122 565712320 /nfs/dbraw/zinc/71/23/20/565712320.db2.gz YCYHQELBSAGXGV-GFCCVEGCSA-N 1 0 375.282 2.719 20 0 GFADRO CC(C)c1cc(Br)ccc1NC(=O)C(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000626890956 565714349 /nfs/dbraw/zinc/71/43/49/565714349.db2.gz RNLRDKLOXNDPHO-DGCLKSJQSA-N 1 0 382.302 2.768 20 0 GFADRO [NH3+]C1(CNC(=O)NCCCOc2ccc(Cl)cc2Cl)CCOCC1 ZINC000626953197 565716913 /nfs/dbraw/zinc/71/69/13/565716913.db2.gz CKNCFIKLJBSFDL-UHFFFAOYSA-N 1 0 376.284 2.569 20 0 GFADRO C[C@H](CNC(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)Oc1ccc(Br)cc1 ZINC000626989617 565717629 /nfs/dbraw/zinc/71/76/29/565717629.db2.gz BSYPYOMQLCDGNJ-XWIAVFTESA-N 1 0 396.329 2.857 20 0 GFADRO CCN1CCN(C(=O)C(=O)Nc2cccc(Br)c2Cl)C[C@@H]1C ZINC000670206820 565718290 /nfs/dbraw/zinc/71/82/90/565718290.db2.gz WVLDJYVTDFIRBW-JTQLQIEISA-N 1 0 388.693 2.594 20 0 GFADRO CCN(CC[NH3+])C(=O)NCCOc1ccc(Br)cc1C(F)(F)F ZINC000627007427 565718697 /nfs/dbraw/zinc/71/86/97/565718697.db2.gz YHVGGVCUNOOUFK-UHFFFAOYSA-N 1 0 398.223 2.837 20 0 GFADRO [NH3+]CCCOCCNC(=O)NCC1(c2cccc(Br)c2)CCCC1 ZINC000627002751 565718799 /nfs/dbraw/zinc/71/87/99/565718799.db2.gz CIKTUQIJMRRKMX-UHFFFAOYSA-N 1 0 398.345 2.926 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)N[C@@H]2COc3c2cccc3Cl)CC[C@@H]1C(F)(F)F ZINC000626999434 565719315 /nfs/dbraw/zinc/71/93/15/565719315.db2.gz ZYSGPWGYUKQEBC-SUZMYJTESA-N 1 0 377.794 2.942 20 0 GFADRO CCCOC[C@H](Cc1cccc(Br)c1)NC(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627017649 565719645 /nfs/dbraw/zinc/71/96/45/565719645.db2.gz XVMOZFWISZWNOV-RRQGHBQHSA-N 1 0 398.345 2.836 20 0 GFADRO O=C(c1cc(F)cc(Br)c1)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000670392572 565722039 /nfs/dbraw/zinc/72/20/39/565722039.db2.gz CUFNFNSLIOCQIJ-MRXNPFEDSA-N 1 0 385.277 2.915 20 0 GFADRO O=C(NC[C@@H]1C[N@@H+]2CCN1CCC2)c1csc(-c2ccc(Cl)s2)n1 ZINC000670408320 565722863 /nfs/dbraw/zinc/72/28/63/565722863.db2.gz MBPPMHPGFDWDPH-LLVKDONJSA-N 1 0 382.942 2.645 20 0 GFADRO CC(C)[NH+]1CCC(NC(=O)c2c3ccc(Br)cc3nn2C)CC1 ZINC000648718146 565723531 /nfs/dbraw/zinc/72/35/31/565723531.db2.gz RUGCDAJTGUBSKV-UHFFFAOYSA-N 1 0 379.302 2.938 20 0 GFADRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000627169046 565724975 /nfs/dbraw/zinc/72/49/75/565724975.db2.gz MYDBSWZLCPAWMT-ARFHVFGLSA-N 1 0 382.302 2.673 20 0 GFADRO CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)NCCc1ccc(Cl)cc1Cl ZINC000670494560 565725188 /nfs/dbraw/zinc/72/51/88/565725188.db2.gz FEPQHOCECUFWGT-HNNXBMFYSA-N 1 0 386.323 2.643 20 0 GFADRO [NH3+]CCCOCCNC(=O)N1CCC[C@@H]1c1ccc(Br)c(F)c1 ZINC000627217930 565727178 /nfs/dbraw/zinc/72/71/78/565727178.db2.gz XJEKUTKBSGXOMM-OAHLLOKOSA-N 1 0 388.281 2.800 20 0 GFADRO C[C@H]1C[C@H](c2ccc(Br)cc2)CN1C(=O)NCCOCCC[NH3+] ZINC000627220772 565727225 /nfs/dbraw/zinc/72/72/25/565727225.db2.gz YSPXHBIZSVRJAA-ZFWWWQNUSA-N 1 0 384.318 2.702 20 0 GFADRO [NH3+]CCCOCCNC(=O)N1CCC[C@H]1c1ccc(Br)s1 ZINC000627216072 565727340 /nfs/dbraw/zinc/72/73/40/565727340.db2.gz NWYVUJMVHNIWKD-NSHDSACASA-N 1 0 376.320 2.723 20 0 GFADRO CC[NH+]1CCC(N(C)C(=O)c2c3ccc(Br)cc3nn2C)CC1 ZINC000648763895 565727662 /nfs/dbraw/zinc/72/76/62/565727662.db2.gz NTSJELWURWFLCN-UHFFFAOYSA-N 1 0 379.302 2.892 20 0 GFADRO C[N@@H+]1CCCN(CCCNC(=O)[C@@H]2CCc3cc(Br)ccc32)CC1 ZINC000648783144 565728865 /nfs/dbraw/zinc/72/88/65/565728865.db2.gz RJMVUVZPQLBNCX-GOSISDBHSA-N 1 0 394.357 2.623 20 0 GFADRO O=C(c1cc(F)c(Br)c(Cl)c1)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000627268084 565730347 /nfs/dbraw/zinc/73/03/47/565730347.db2.gz XGWKLMIDZSKIQJ-MNOVXSKESA-N 1 0 391.668 2.523 20 0 GFADRO O=C(c1cc(F)c(Br)cc1Cl)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000627265518 565730748 /nfs/dbraw/zinc/73/07/48/565730748.db2.gz JVKFLNGRBUXQBH-ZJUUUORDSA-N 1 0 391.668 2.523 20 0 GFADRO C[C@@H](NC(=O)C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)c1cccc(Cl)c1Cl ZINC000627342313 565734148 /nfs/dbraw/zinc/73/41/48/565734148.db2.gz CBDDOUZMVJVRCW-AFBMGJRZSA-N 1 0 384.307 2.629 20 0 GFADRO CC(C)c1cc(Cl)ccc1NC(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000627383351 565735130 /nfs/dbraw/zinc/73/51/30/565735130.db2.gz BJRPQISWRQMDST-SFHVURJKSA-N 1 0 383.945 2.955 20 0 GFADRO CC(C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000627482436 565737419 /nfs/dbraw/zinc/73/74/19/565737419.db2.gz QJCVWZYQPWZXNN-GXTWGEPZSA-N 1 0 386.323 2.987 20 0 GFADRO CCN(C(=O)c1cnc2ncc(Br)cc2c1)C1CC[NH+](C)CC1 ZINC000627616777 565743993 /nfs/dbraw/zinc/74/39/93/565743993.db2.gz CYYSLOQYJJVJSD-UHFFFAOYSA-N 1 0 377.286 2.949 20 0 GFADRO CCCN(C(=O)CSc1nnc(-c2cccs2)n1C)[C@@H]1CC[N@H+](C)C1 ZINC000649001071 565744058 /nfs/dbraw/zinc/74/40/58/565744058.db2.gz ITIGAEBFFFSQSF-CYBMUJFWSA-N 1 0 379.555 2.578 20 0 GFADRO CC(C)OC(=O)Cc1nc(CN2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)cs1 ZINC000600723523 565747334 /nfs/dbraw/zinc/74/73/34/565747334.db2.gz VHRLHBGSHUZTJI-WCQYABFASA-N 1 0 379.448 2.596 20 0 GFADRO O=c1[n-]nc([C@@H]2CCCN(Cc3cc4c(cc3Br)OCCO4)C2)o1 ZINC000670984533 565748765 /nfs/dbraw/zinc/74/87/65/565748765.db2.gz SLESWRGLWLUKHL-SNVBAGLBSA-N 1 0 396.241 2.689 20 0 GFADRO O=C(NC[C@H]1CC[N@@H+]1C1CCCCC1)C(=O)Nc1ccccc1Br ZINC000627754795 565750631 /nfs/dbraw/zinc/75/06/31/565750631.db2.gz IJGKDAQHZGJRPJ-CQSZACIVSA-N 1 0 394.313 2.911 20 0 GFADRO CCNC(=O)C[C@H]1CCCC[N@@H+]1Cc1cn2cc(Br)ccc2n1 ZINC000671248786 565760036 /nfs/dbraw/zinc/76/00/36/565760036.db2.gz UZVKOSNZJLIEPP-OAHLLOKOSA-N 1 0 379.302 2.978 20 0 GFADRO O=C1CCCN1[C@@H]1CCC[N@@H+](C[C@@H](O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000601071060 565765704 /nfs/dbraw/zinc/76/57/04/565765704.db2.gz ZCROGNWOVJXNNE-ZIAGYGMSSA-N 1 0 387.307 2.820 20 0 GFADRO O=C(CCc1ccccc1Br)N1CCC([NH+]2CCOCC2)CC1 ZINC000628127020 565774935 /nfs/dbraw/zinc/77/49/35/565774935.db2.gz QLYOMHRRPBXYJN-UHFFFAOYSA-N 1 0 381.314 2.705 20 0 GFADRO C[C@@]1(C[NH2+]Cc2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)CCCS1 ZINC000628209534 565780914 /nfs/dbraw/zinc/78/09/14/565780914.db2.gz JJNMXWCWIMGHST-AEFFLSMTSA-N 1 0 384.567 2.519 20 0 GFADRO COCC[N@@H+]1CCN(Cc2nc3ccc(Br)cc3n2C)C(C)(C)C1 ZINC000649850853 565783102 /nfs/dbraw/zinc/78/31/02/565783102.db2.gz CPAYJGUXVPCVKT-UHFFFAOYSA-N 1 0 395.345 2.878 20 0 GFADRO CO[C@H]1CCC[C@H]([NH2+]CCNS(=O)(=O)c2cccc(Cl)c2Cl)C1 ZINC000671725636 565783474 /nfs/dbraw/zinc/78/34/74/565783474.db2.gz ZPRLZGFQMAEFBD-RYUDHWBXSA-N 1 0 381.325 2.819 20 0 GFADRO CNC(=O)CC[C@H]1CCCC[N@@H+]1Cc1cn2cc(Br)ccc2n1 ZINC000671733736 565784191 /nfs/dbraw/zinc/78/41/91/565784191.db2.gz OJYVGQWZUJWHNH-OAHLLOKOSA-N 1 0 379.302 2.978 20 0 GFADRO C[C@H]1CN(C(=O)c2ccc(C(F)(F)F)s2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000671786628 565785849 /nfs/dbraw/zinc/78/58/49/565785849.db2.gz DPJAJOGGUJABTE-QWHCGFSZSA-N 1 0 375.460 2.865 20 0 GFADRO C[C@@H]1CN(C(=O)c2ccc(C(F)(F)F)s2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000671786626 565786019 /nfs/dbraw/zinc/78/60/19/565786019.db2.gz DPJAJOGGUJABTE-CHWSQXEVSA-N 1 0 375.460 2.865 20 0 GFADRO OCC[NH+](CCO)Cc1ccc(OCc2ccccc2)c(Br)c1 ZINC000628369372 565787850 /nfs/dbraw/zinc/78/78/50/565787850.db2.gz LYSMTSUJUMZVTC-UHFFFAOYSA-N 1 0 380.282 2.815 20 0 GFADRO Cc1csc(C(=O)N2CCC[C@H]3C[NH2+]CC[C@@H]32)c1I ZINC000601553058 565791211 /nfs/dbraw/zinc/79/12/11/565791211.db2.gz NGKQCJUJFMBNGX-QWRGUYRKSA-N 1 0 390.290 2.875 20 0 GFADRO CC[C@@H](C)[NH2+][C@H](CNC(=O)CCn1cc(Br)cn1)c1ccco1 ZINC000650077447 565795942 /nfs/dbraw/zinc/79/59/42/565795942.db2.gz TWODAWKOKRBRGH-TZMCWYRMSA-N 1 0 383.290 2.874 20 0 GFADRO C[C@@H]1C[N@H+](C)[C@H](C)[C@@H](C)N1C(=O)CSc1nnc(-c2cccs2)n1C ZINC000650150584 565801070 /nfs/dbraw/zinc/80/10/70/565801070.db2.gz XJWMWQWGWPTAAI-JHJVBQTASA-N 1 0 379.555 2.575 20 0 GFADRO Cc1cc(NC(=O)CN(C)C[C@H](O)COc2ccc(Cl)c(Cl)c2)no1 ZINC000672779170 565816432 /nfs/dbraw/zinc/81/64/32/565816432.db2.gz UXFPPUSNYAIQKV-NSHDSACASA-N 1 0 388.251 2.600 20 0 GFADRO Cc1cc(C(=O)NC[C@@H]2CC[N@@H+](C)C2)c(I)cc1Cl ZINC000602081502 565822071 /nfs/dbraw/zinc/82/20/71/565822071.db2.gz WGKNOVLJGHPCQN-JTQLQIEISA-N 1 0 392.668 2.935 20 0 GFADRO COC(=O)C[C@](C)(NC(=O)C[C@H]1CC[N@H+](C)C1)c1ccc(Br)cc1 ZINC000602146726 565825812 /nfs/dbraw/zinc/82/58/12/565825812.db2.gz CJJJCICSJPVQAJ-ACJLOTCBSA-N 1 0 397.313 2.685 20 0 GFADRO CN1CCC([N@@H+]2CC[C@H](NC(=O)COc3c(Cl)cccc3Cl)C2)CC1 ZINC000602200241 565829695 /nfs/dbraw/zinc/82/96/95/565829695.db2.gz HXWFZZOBZCMBDA-ZDUSSCGKSA-N 1 0 386.323 2.657 20 0 GFADRO O=C(C[C@H]1CCS(=O)(=O)C1)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000650681810 565830259 /nfs/dbraw/zinc/83/02/59/565830259.db2.gz PBDGMRQWLOOLMB-OAHLLOKOSA-N 1 0 382.551 2.638 20 0 GFADRO CC[NH+](CC)Cc1ccc(C(=O)NCCCn2cc(Br)cn2)o1 ZINC000673318019 565831748 /nfs/dbraw/zinc/83/17/48/565831748.db2.gz JNHRRCZNJTWQSH-UHFFFAOYSA-N 1 0 383.290 2.901 20 0 GFADRO CC[C@H](Cc1ccccc1Br)C(=O)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000673513079 565838525 /nfs/dbraw/zinc/83/85/25/565838525.db2.gz OYTFQBLSHLQRSI-HYVNUMGLSA-N 1 0 395.341 2.685 20 0 GFADRO O=C(c1csc(-c2ccc(Cl)s2)n1)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000673518272 565839057 /nfs/dbraw/zinc/83/90/57/565839057.db2.gz UUHOYJCWCRZVSJ-WDEREUQCSA-N 1 0 383.926 2.806 20 0 GFADRO Cc1ccc(C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)cc1Br ZINC000673800512 565847040 /nfs/dbraw/zinc/84/70/40/565847040.db2.gz GDMBGSRGTDYQLL-MRXNPFEDSA-N 1 0 380.330 2.610 20 0 GFADRO C[S@](=O)C1(C(=O)N[C@@H]2CCc3c2ccc(Cl)c3Cl)CC[NH2+]CC1 ZINC000602461098 565850164 /nfs/dbraw/zinc/85/01/64/565850164.db2.gz ALIDFWLAJHXXHS-ZLOXQWCVSA-N 1 0 375.321 2.598 20 0 GFADRO C[NH+](C)CCOc1ccccc1CNC(=O)c1nscc1Br ZINC000651201809 565850928 /nfs/dbraw/zinc/85/09/28/565850928.db2.gz BOUYNNFVOCCKQD-UHFFFAOYSA-N 1 0 384.299 2.776 20 0 GFADRO C[S@](=O)C1(C(=O)NCCCc2c(Cl)cccc2Cl)CC[NH2+]CC1 ZINC000602519995 565852718 /nfs/dbraw/zinc/85/27/18/565852718.db2.gz FHKKMUKWNDEXMK-QHCPKHFHSA-N 1 0 377.337 2.543 20 0 GFADRO COc1ccccc1-c1nc(C(=O)NC[C@]2([NH+](C)C)CCSC2)cs1 ZINC000673958609 565853772 /nfs/dbraw/zinc/85/37/72/565853772.db2.gz TXYSVLPHXQPTKP-GOSISDBHSA-N 1 0 377.535 2.986 20 0 GFADRO COC(=O)c1[nH]c(C[NH2+]CC(=O)Nc2ccc(Br)cc2C)cc1C ZINC000602530685 565854025 /nfs/dbraw/zinc/85/40/25/565854025.db2.gz PQVUCRWPQHRALK-UHFFFAOYSA-N 1 0 394.269 2.909 20 0 GFADRO CC[S@](=O)[C@H]1CCC[C@H]([NH2+]Cc2cnn3cc(Br)cnc23)C1 ZINC000602563097 565855059 /nfs/dbraw/zinc/85/50/59/565855059.db2.gz FHIQZTNGAJOZBF-OKHZJLECSA-N 1 0 385.331 2.661 20 0 GFADRO C[C@H](CNC(=O)N[C@@H]1CC[N@H+](CC2CC2)C1)Oc1ccccc1Br ZINC000674031692 565856858 /nfs/dbraw/zinc/85/68/58/565856858.db2.gz DSWWXDJVYGBGTL-UKRRQHHQSA-N 1 0 396.329 3.000 20 0 GFADRO CC(C)(C[NH2+]Cc1cc(Cl)ccc1OC[C@H]1CCCO1)S(C)(=O)=O ZINC000674045333 565857834 /nfs/dbraw/zinc/85/78/34/565857834.db2.gz WQRSASYCXNKSRK-OAHLLOKOSA-N 1 0 375.918 2.811 20 0 GFADRO O=C(NC1CC[NH+](Cc2cccnc2)CC1)c1nscc1Br ZINC000651344883 565858745 /nfs/dbraw/zinc/85/87/45/565858745.db2.gz YKXXXZZRGODMQA-UHFFFAOYSA-N 1 0 381.299 2.695 20 0 GFADRO [NH3+]C[C@@H]1CN(CC(=O)Nc2ccccc2Br)CC[C@H]1C(F)(F)F ZINC000629569264 565859052 /nfs/dbraw/zinc/85/90/52/565859052.db2.gz WRILHRGKIFZXDV-GHMZBOCLSA-N 1 0 394.235 2.847 20 0 GFADRO [NH3+]C[C@@H]1CN([C@H]2CCN(c3ccc(Cl)cc3)C2=O)CC[C@@H]1C(F)(F)F ZINC000629560490 565859648 /nfs/dbraw/zinc/85/96/48/565859648.db2.gz FIJROPHXBDCVEA-UGFHNGPFSA-N 1 0 375.822 2.904 20 0 GFADRO COC(=O)c1cc(C[NH2+][C@@](C)(CO)c2ccc(Br)cc2)[nH]c1C ZINC000602660445 565861020 /nfs/dbraw/zinc/86/10/20/565861020.db2.gz CVHQSHPQYCYQSS-KRWDZBQOSA-N 1 0 381.270 2.870 20 0 GFADRO COc1ncc(Br)cc1C[NH2+]C[C@H](O)COc1ccccc1F ZINC000629593490 565862008 /nfs/dbraw/zinc/86/20/08/565862008.db2.gz OAALEABSGSKXGL-ZDUSSCGKSA-N 1 0 385.233 2.521 20 0 GFADRO C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629592899 565862030 /nfs/dbraw/zinc/86/20/30/565862030.db2.gz GGQAALOADIJKRY-ZMYBRWDISA-N 1 0 394.357 2.727 20 0 GFADRO O[C@@H](C[NH2+]C[C@@H](n1cccn1)C(F)(F)F)COCc1ccccc1Cl ZINC000629601726 565862791 /nfs/dbraw/zinc/86/27/91/565862791.db2.gz UMDVDJOXHOECTF-DZGCQCFKSA-N 1 0 377.794 2.807 20 0 GFADRO COC1CC[NH+](CCNC(=O)[C@@H]2CCOc3ccc(Br)cc32)CC1 ZINC000651461110 565864315 /nfs/dbraw/zinc/86/43/15/565864315.db2.gz KFCNNEVEQAWOBD-OAHLLOKOSA-N 1 0 397.313 2.542 20 0 GFADRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)c1cc(=O)c2cc(Br)ccc2[nH]1 ZINC000602751926 565866777 /nfs/dbraw/zinc/86/67/77/565866777.db2.gz RPGSWMNGDGPATP-GOEBONIOSA-N 1 0 390.281 2.647 20 0 GFADRO Cc1cc(C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)nn1-c1ccc(Br)cc1 ZINC000674315735 565868426 /nfs/dbraw/zinc/86/84/26/565868426.db2.gz FRRVJSCKFJYEKE-AWEZNQCLSA-N 1 0 389.297 2.910 20 0 GFADRO Cc1cc(C(=O)N[C@H]2CCC[N@@H+](C)C2)nn1-c1ccc(Br)cc1 ZINC000674319407 565868466 /nfs/dbraw/zinc/86/84/66/565868466.db2.gz CVSURRHZNPJJCO-AWEZNQCLSA-N 1 0 377.286 2.767 20 0 GFADRO CCOCCC[N@@H+]1CC[C@@H](NS(=O)(=O)c2ccc(Cl)c(F)c2)[C@@H](C)C1 ZINC000651562123 565872769 /nfs/dbraw/zinc/87/27/69/565872769.db2.gz DZHXRYAYAWYPJZ-SUMWQHHRSA-N 1 0 392.924 2.894 20 0 GFADRO CC[NH+]1CCN([C@H]2CCN(C(=O)Nc3cscc3Br)C2)CC1 ZINC000603012425 565879340 /nfs/dbraw/zinc/87/93/40/565879340.db2.gz IPZDOTIAAIHGED-LBPRGKRZSA-N 1 0 387.347 2.754 20 0 GFADRO Cc1cc(Br)sc1S(=O)(=O)N1CCC(C[NH+](C)C)CC1 ZINC000651623119 565880215 /nfs/dbraw/zinc/88/02/15/565880215.db2.gz UGJAGYHIULZDGH-UHFFFAOYSA-N 1 0 381.361 2.781 20 0 GFADRO COc1nsc(CN2CCC(C)([NH+]3CCOCC3)CC2)c1Br ZINC000630073961 565880866 /nfs/dbraw/zinc/88/08/66/565880866.db2.gz ZMAQQMPJJQPSGC-UHFFFAOYSA-N 1 0 390.347 2.601 20 0 GFADRO CCC(=O)N1CCC([NH2+]CCC(=O)Nc2ccc(Br)cc2)CC1 ZINC000674908836 565886637 /nfs/dbraw/zinc/88/66/37/565886637.db2.gz CXKJHSKSEYPODD-UHFFFAOYSA-N 1 0 382.302 2.768 20 0 GFADRO Cc1cc(Br)sc1S(=O)(=O)N(C)[C@H]1CC[N@@H+](C(C)C)C1 ZINC000651734515 565888779 /nfs/dbraw/zinc/88/87/79/565888779.db2.gz MDJGJOYDCWRYJJ-NSHDSACASA-N 1 0 381.361 2.922 20 0 GFADRO CCCC[C@H](C(=O)OC)n1cc([C@@H]([NH3+])c2ccc(Br)cc2)nn1 ZINC000603202813 565890038 /nfs/dbraw/zinc/89/00/38/565890038.db2.gz YNVMACOFQTZSCJ-CABCVRRESA-N 1 0 381.274 2.993 20 0 GFADRO CC(C)c1nc(S(=O)(=O)NC[C@@H](C[NH+](C)C)c2ccc(Cl)cc2)c[nH]1 ZINC000651764051 565890837 /nfs/dbraw/zinc/89/08/37/565890837.db2.gz BDGBUIWNYSGJAI-AWEZNQCLSA-N 1 0 384.933 2.810 20 0 GFADRO C[C@@H](NC(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1)c1nncn1C ZINC000630397303 565898199 /nfs/dbraw/zinc/89/81/99/565898199.db2.gz WBLBTLLRIZQOHK-QMTHXVAHSA-N 1 0 385.299 2.785 20 0 GFADRO CC(C)C[N@H+](C)CCCNC(=O)C(=O)Nc1cc(Br)ccc1F ZINC000651902679 565902629 /nfs/dbraw/zinc/90/26/29/565902629.db2.gz SYHZKRBXIUQPJH-UHFFFAOYSA-N 1 0 388.281 2.621 20 0 GFADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)CCCc1cccc(Br)c1 ZINC000675457137 565904009 /nfs/dbraw/zinc/90/40/09/565904009.db2.gz SGAUWLWSGIVJIC-KRWDZBQOSA-N 1 0 383.330 2.999 20 0 GFADRO Cc1cc(C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)c(Br)s1 ZINC000675465748 565904040 /nfs/dbraw/zinc/90/40/40/565904040.db2.gz IBIJXZSQXXHKRR-CYBMUJFWSA-N 1 0 386.359 2.671 20 0 GFADRO CN(CC[NH+]1CCCCC1)S(=O)(=O)Cc1cccc(Br)c1 ZINC000651926460 565905355 /nfs/dbraw/zinc/90/53/55/565905355.db2.gz WFCZSOXSZIOIFZ-UHFFFAOYSA-N 1 0 375.332 2.697 20 0 GFADRO O=C1C[C@H](C[NH2+]CC2=Cc3cc(Br)ccc3OC2)CN1C1CC1 ZINC000651992804 565909285 /nfs/dbraw/zinc/90/92/85/565909285.db2.gz QXEYOQFOUYOORR-GFCCVEGCSA-N 1 0 377.282 2.825 20 0 GFADRO Cc1nc(-c2cccs2)sc1C(=O)NCCCN1CCC[N@@H+](C)CC1 ZINC000603812318 565915381 /nfs/dbraw/zinc/91/53/81/565915381.db2.gz OGZRQVUBZWXNMP-UHFFFAOYSA-N 1 0 378.567 2.937 20 0 GFADRO Cc1nc(-c2cccs2)c(CC(=O)NCC2([NH+](C)C)CCOCC2)s1 ZINC000603779679 565915916 /nfs/dbraw/zinc/91/59/16/565915916.db2.gz WEZSIKUGAUJZDE-UHFFFAOYSA-N 1 0 379.551 2.950 20 0 GFADRO O=C(CCCc1ccccc1Br)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000675785914 565916257 /nfs/dbraw/zinc/91/62/57/565916257.db2.gz KBPLXOADHLIVIC-ZWKOTPCHSA-N 1 0 395.341 2.829 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(C(=O)NCc3ccccc3Br)C2)C1 ZINC000652142619 565916607 /nfs/dbraw/zinc/91/66/07/565916607.db2.gz XEVLKUDOEIVFLL-UXLLHSPISA-N 1 0 396.329 2.877 20 0 GFADRO [NH3+]C[C@]12CCC[C@H]1CN(C(=O)NCCOc1cccc(Br)c1)C2 ZINC000652136210 565916675 /nfs/dbraw/zinc/91/66/75/565916675.db2.gz INHLJAJOGKYPGP-GUYCJALGSA-N 1 0 382.302 2.598 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc2cncc(Br)c2n1 ZINC000630750229 565918014 /nfs/dbraw/zinc/91/80/14/565918014.db2.gz XYJPVRCTSZTHSA-UKRRQHHQSA-N 1 0 375.270 2.749 20 0 GFADRO OC[C@@]1([NH2+]Cc2cncc(Br)c2)CCCN(Cc2ccccc2)C1 ZINC000603939001 565919379 /nfs/dbraw/zinc/91/93/79/565919379.db2.gz YINJJGIPWVFSNH-LJQANCHMSA-N 1 0 390.325 2.961 20 0 GFADRO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(C(=O)c2cscc2Cl)CC1 ZINC000630818004 565921345 /nfs/dbraw/zinc/92/13/45/565921345.db2.gz MHNNRYXZAHTOCF-UHFFFAOYSA-N 1 0 385.961 2.958 20 0 GFADRO CC(C)[N@H+](C)CC1CCN(C(=O)COc2ccc(Br)cn2)CC1 ZINC000630831675 565921745 /nfs/dbraw/zinc/92/17/45/565921745.db2.gz NKNARAHUEYKQDN-UHFFFAOYSA-N 1 0 384.318 2.802 20 0 GFADRO CN(CCOc1ccc(Br)cc1)C(=O)NCCC1CC[NH2+]CC1 ZINC000652309386 565921763 /nfs/dbraw/zinc/92/17/63/565921763.db2.gz WGOKYQLLEVMGTF-UHFFFAOYSA-N 1 0 384.318 2.859 20 0 GFADRO Cc1c(Br)c[nH]c(=O)c1C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000630821537 565921893 /nfs/dbraw/zinc/92/18/93/565921893.db2.gz FUIDAHGUDVAFHA-UHFFFAOYSA-N 1 0 382.302 2.949 20 0 GFADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)c1ncccc1N ZINC000630848521 565922700 /nfs/dbraw/zinc/92/27/00/565922700.db2.gz YVVNVHIDEBEESC-UHFFFAOYSA-N 1 0 377.286 2.630 20 0 GFADRO Cc1conc1C(=O)Nc1cc(Br)ccc1N1CC[NH+](C)CC1 ZINC000630838035 565923090 /nfs/dbraw/zinc/92/30/90/565923090.db2.gz BATMXGBNBYHPDN-UHFFFAOYSA-N 1 0 379.258 2.750 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(S(=O)(=O)c3csc4ccccc43)C2)C1 ZINC000652373857 565924098 /nfs/dbraw/zinc/92/40/98/565924098.db2.gz BWMXVVCIHQIYJA-LZWOXQAQSA-N 1 0 380.535 2.808 20 0 GFADRO Cc1cc(Br)sc1S(=O)(=O)N1C[C@H]([NH3+])Cc2ccccc21 ZINC000652372514 565924422 /nfs/dbraw/zinc/92/44/22/565924422.db2.gz PWIGOPBHEACVIH-LLVKDONJSA-N 1 0 387.324 2.898 20 0 GFADRO CN1CCC([N@@H+]2CC[C@@H](NC(=O)NCc3ccc(Cl)cc3Cl)C2)CC1 ZINC000604157039 565924476 /nfs/dbraw/zinc/92/44/76/565924476.db2.gz PZIASNCVPIYQNE-OAHLLOKOSA-N 1 0 385.339 2.961 20 0 GFADRO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCN(S(=O)(=O)c3ccc(Cl)cc3Cl)C2)C1 ZINC000652374672 565925360 /nfs/dbraw/zinc/92/53/60/565925360.db2.gz XYUUWKGWDJBTRE-UXIGCNINSA-N 1 0 393.336 2.900 20 0 GFADRO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCN(S(=O)(=O)c3ccc(Cl)c(Cl)c3)C2)C1 ZINC000652375715 565925408 /nfs/dbraw/zinc/92/54/08/565925408.db2.gz XYXPYUIFORRAIZ-XHBSWPGZSA-N 1 0 393.336 2.900 20 0 GFADRO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCCN2S(=O)(=O)c2csc3ccccc32)C1 ZINC000652383407 565927591 /nfs/dbraw/zinc/92/75/91/565927591.db2.gz QIGPYTQOJNYFFY-FVQBIDKESA-N 1 0 380.535 2.951 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2S(=O)(=O)Cc2ccc(F)c(Cl)c2)C1 ZINC000652383847 565927638 /nfs/dbraw/zinc/92/76/38/565927638.db2.gz INHSRBPWGCKMIH-COXVUDFISA-N 1 0 390.908 2.670 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2S(=O)(=O)c2cc(F)cc(Cl)c2)C1 ZINC000652384100 565927650 /nfs/dbraw/zinc/92/76/50/565927650.db2.gz PGHOPYSCPNYFGX-KBMXLJTQSA-N 1 0 376.881 2.529 20 0 GFADRO O=S(=O)(Cc1cc(Cl)ccc1Br)NCCC1CC[NH2+]CC1 ZINC000652384777 565927784 /nfs/dbraw/zinc/92/77/84/565927784.db2.gz MXZNQBJLTYZWTA-UHFFFAOYSA-N 1 0 395.750 2.912 20 0 GFADRO O=S(=O)(N[C@@H]1CC[N@H+](CC2CC2)C1)c1cc(Br)sc1Cl ZINC000676352338 565933322 /nfs/dbraw/zinc/93/33/22/565933322.db2.gz GYOMCSHZNONQRN-SECBINFHSA-N 1 0 399.763 2.927 20 0 GFADRO O=S(=O)(N[C@H]1CC[N@H+](CC2CC2)C1)c1cc(Br)sc1Cl ZINC000676352340 565933669 /nfs/dbraw/zinc/93/36/69/565933669.db2.gz GYOMCSHZNONQRN-VIFPVBQESA-N 1 0 399.763 2.927 20 0 GFADRO O=C(Cc1cc(Br)ccc1F)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000676370985 565935083 /nfs/dbraw/zinc/93/50/83/565935083.db2.gz VUWGWDRVRZBSGJ-MRXNPFEDSA-N 1 0 399.304 2.844 20 0 GFADRO COCC[N@@H+]1CCC[C@H](NC(=O)Cc2cc(Cl)ccc2Br)C1 ZINC000676376248 565935373 /nfs/dbraw/zinc/93/53/73/565935373.db2.gz XJNKZCVLWQXKFM-AWEZNQCLSA-N 1 0 389.721 2.872 20 0 GFADRO CN(C)[C@@H](C[NH2+]Cc1ccc(Cl)c(S(N)(=O)=O)c1)c1ccc(F)cc1 ZINC000631047811 565935565 /nfs/dbraw/zinc/93/55/65/565935565.db2.gz VGNBCAJQWYFMGL-INIZCTEOSA-N 1 0 385.892 2.519 20 0 GFADRO C[C@@H](C[NH+]1CCOCC1)C(=O)N1CCN(c2cc(Cl)ccc2Cl)CC1 ZINC000652747317 565938571 /nfs/dbraw/zinc/93/85/71/565938571.db2.gz SHJRNJZSEJIULW-AWEZNQCLSA-N 1 0 386.323 2.610 20 0 GFADRO COc1ccc(Br)c(C(=O)NCCC[NH2+]Cc2cc(C)no2)c1 ZINC000631068245 565938951 /nfs/dbraw/zinc/93/89/51/565938951.db2.gz GIDQEOFCSKRCSY-UHFFFAOYSA-N 1 0 382.258 2.664 20 0 GFADRO NS(=O)(=O)c1cc(C[NH2+]CCc2nc3c(s2)CCCC3)ccc1Cl ZINC000631072059 565939004 /nfs/dbraw/zinc/93/90/04/565939004.db2.gz TXEOUSFNXHZLLG-UHFFFAOYSA-N 1 0 385.942 2.655 20 0 GFADRO C[C@H](O)C[C@@H](C[NH2+]Cc1ccc(Cl)c(S(N)(=O)=O)c1)c1ccccc1 ZINC000631092175 565939651 /nfs/dbraw/zinc/93/96/51/565939651.db2.gz YVSDJYKAUPDHLF-BBRMVZONSA-N 1 0 382.913 2.632 20 0 GFADRO Cc1cc(Br)cn2cc(CC[NH2+]Cc3ncnn3C(C)C)nc12 ZINC000631109742 565941472 /nfs/dbraw/zinc/94/14/72/565941472.db2.gz BMOGTYZGBAPEHE-UHFFFAOYSA-N 1 0 377.290 2.910 20 0 GFADRO O=C(NCCc1ccc(Br)cc1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000605019047 565943768 /nfs/dbraw/zinc/94/37/68/565943768.db2.gz KRXFSAZXJIVMBJ-UHFFFAOYSA-N 1 0 389.297 2.918 20 0 GFADRO C[C@@H]1C[N@@H+](CCCNC(=O)NCCc2ccc(Br)cc2)C[C@H](C)O1 ZINC000605011950 565944070 /nfs/dbraw/zinc/94/40/70/565944070.db2.gz KQAFQXZODAPRCM-GASCZTMLSA-N 1 0 398.345 2.790 20 0 GFADRO Brc1cccc2c1C[C@@H]1[C@H]([NH2+]Cc3cn(C[C@@H]4CCOC4)nn3)[C@H]21 ZINC000631190943 565947358 /nfs/dbraw/zinc/94/73/58/565947358.db2.gz FLBVXKZDEXCWGO-CQALLLNHSA-N 1 0 389.297 2.505 20 0 GFADRO FC(F)(F)[C@@H](C[NH2+]Cc1cc2c(c(Br)c1)OCO2)n1cncn1 ZINC000631214556 565950231 /nfs/dbraw/zinc/95/02/31/565950231.db2.gz YIAIURVZHATWKQ-LLVKDONJSA-N 1 0 393.163 2.663 20 0 GFADRO C[C@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH2+][C@@H]1COCC[C@H]1O ZINC000631272486 565952619 /nfs/dbraw/zinc/95/26/19/565952619.db2.gz ZAGUQRGSEJMRGA-OWYVNGRQSA-N 1 0 380.794 2.815 20 0 GFADRO O=C(Cc1ccc(Br)c(F)c1)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000676874841 565952609 /nfs/dbraw/zinc/95/26/09/565952609.db2.gz RODKGVPBNMNDOM-HNNXBMFYSA-N 1 0 399.304 2.844 20 0 GFADRO CCN(Cc1cccc(Br)c1)C(=O)N[C@H]1CC[N@H+](CCOC)C1 ZINC000605883297 565958205 /nfs/dbraw/zinc/95/82/05/565958205.db2.gz LOIJJUGDYOLZEJ-INIZCTEOSA-N 1 0 384.318 2.701 20 0 GFADRO [NH3+]C[C@]12CCC[C@H]1CN(C(=O)c1cnn(-c3cccc(Br)c3)c1)C2 ZINC000653195562 565958470 /nfs/dbraw/zinc/95/84/70/565958470.db2.gz BRDKKTNHFAJBOO-KSSFIOAISA-N 1 0 389.297 2.836 20 0 GFADRO COc1cc(Br)ccc1C(=O)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000653187389 565958493 /nfs/dbraw/zinc/95/84/93/565958493.db2.gz XTFPRAKGDICJHV-BJJXKVORSA-N 1 0 397.313 2.816 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(C(=O)c3ccc(Br)c(F)c3)C2)C1 ZINC000653188679 565958660 /nfs/dbraw/zinc/95/86/60/565958660.db2.gz NLPDFTNLBRGGNS-IOASZLSFSA-N 1 0 385.277 2.947 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2C(=O)c2[nH]nc(C3CC3)c2Br)C1 ZINC000653263288 565960217 /nfs/dbraw/zinc/96/02/17/565960217.db2.gz NZDVWLZTXPBUKM-UPJWGTAASA-N 1 0 397.317 2.551 20 0 GFADRO Cc1c(Br)c[nH]c(=O)c1C(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000631522239 565961222 /nfs/dbraw/zinc/96/12/22/565961222.db2.gz ZXANKXQFHIJKDN-CYBMUJFWSA-N 1 0 382.302 2.806 20 0 GFADRO O=C(NCCC1CC[NH2+]CC1)[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000653270389 565961259 /nfs/dbraw/zinc/96/12/59/565961259.db2.gz PNJXKWHEBGIBBA-AWEZNQCLSA-N 1 0 384.307 2.852 20 0 GFADRO O=C(NCCC1CC[NH2+]CC1)c1nn(-c2ccc(F)cc2)cc1Br ZINC000653271346 565961517 /nfs/dbraw/zinc/96/15/17/565961517.db2.gz WLXWUELZRXQLGA-UHFFFAOYSA-N 1 0 395.276 2.893 20 0 GFADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccc3cncc(Br)c3n2)C1 ZINC000631558429 565962483 /nfs/dbraw/zinc/96/24/83/565962483.db2.gz MXROHKAQCVDQFF-LBPRGKRZSA-N 1 0 377.286 2.806 20 0 GFADRO O=C(CCN1CC[NH+](C[C@H]2CCCO2)CC1)Nc1cccc(Br)c1 ZINC000606430683 565963882 /nfs/dbraw/zinc/96/38/82/565963882.db2.gz MDINASLVSZIRRH-QGZVFWFLSA-N 1 0 396.329 2.574 20 0 GFADRO Cc1ccc(NC(=O)CN(C)CCC[N@@H+](C)CCN(C)C)c(Br)c1 ZINC000677215361 565964483 /nfs/dbraw/zinc/96/44/83/565964483.db2.gz UZFUENDVOUXHNN-UHFFFAOYSA-N 1 0 399.377 2.511 20 0 GFADRO COc1cccc([C@H](CNS(=O)(=O)CCC(C)(F)F)[NH+]2CCCC2)c1 ZINC000631659370 565966375 /nfs/dbraw/zinc/96/63/75/565966375.db2.gz CPTMFBVOXZKENY-INIZCTEOSA-N 1 0 376.469 2.797 20 0 GFADRO C[NH+](C)CCN(Cc1ccccc1)S(=O)(=O)c1onc(C2CC2)c1Cl ZINC000631679696 565967622 /nfs/dbraw/zinc/96/76/22/565967622.db2.gz LJXVGRCGHXUUCK-UHFFFAOYSA-N 1 0 383.901 2.958 20 0 GFADRO CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+][C@H](C)[C@@H](O)C(F)(F)F)cc1 ZINC000631717406 565970280 /nfs/dbraw/zinc/97/02/80/565970280.db2.gz JNMGUIXDPLSEEO-YWPYICTPSA-N 1 0 382.448 2.679 20 0 GFADRO C[C@@H]1CCC[N@H+](Cc2ccc(CNS(=O)(=O)c3c[nH]c(=O)s3)cc2)C1 ZINC000631748312 565971530 /nfs/dbraw/zinc/97/15/30/565971530.db2.gz BYFNZQBLICBJDD-CYBMUJFWSA-N 1 0 381.523 2.559 20 0 GFADRO C[C@@H]([NH2+]C1(CNS(=O)(=O)c2c[nH]c(=O)s2)CCCC1)c1ccccc1 ZINC000631933443 565984676 /nfs/dbraw/zinc/98/46/76/565984676.db2.gz DYEYBSLAVUBBBX-CYBMUJFWSA-N 1 0 381.523 2.791 20 0 GFADRO C[C@@H]1C[C@H]([NH3+])CCN1S(=O)(=O)c1cnc2c(Br)csc2c1 ZINC000631949236 565985727 /nfs/dbraw/zinc/98/57/27/565985727.db2.gz YDUSECYYLHOYMA-RKDXNWHRSA-N 1 0 390.328 2.559 20 0 GFADRO O=S(=O)(c1cscc1Br)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000631949224 565986040 /nfs/dbraw/zinc/98/60/40/565986040.db2.gz CKCJHNPLAMOPMJ-GFCCVEGCSA-N 1 0 393.372 2.911 20 0 GFADRO C[C@H]1C[C@@H](NC(=O)CSc2nncn2-c2cccc(Cl)c2)CC[N@@H+]1C ZINC000607688728 565987251 /nfs/dbraw/zinc/98/72/51/565987251.db2.gz UCVNDEINIBCCPG-JSGCOSHPSA-N 1 0 379.917 2.612 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)c2cc(=O)[nH]c3ccc(Br)cc32)CC[N@@H+]1C ZINC000607689117 565987506 /nfs/dbraw/zinc/98/75/06/565987506.db2.gz KPBJACLKQXPJOK-PWSUYJOCSA-N 1 0 378.270 2.915 20 0 GFADRO O=S(=O)(c1c(Cl)cccc1Br)N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631993672 565989480 /nfs/dbraw/zinc/98/94/80/565989480.db2.gz XDTRTXGFZTXNJN-MFKMUULPSA-N 1 0 393.734 2.865 20 0 GFADRO Cc1cc(Br)c(S(=O)(=O)N2CCC[C@H]3C[NH2+]CC[C@H]32)s1 ZINC000631994656 565989871 /nfs/dbraw/zinc/98/98/71/565989871.db2.gz PGGFRSMPZZJJBJ-CMPLNLGQSA-N 1 0 379.345 2.582 20 0 GFADRO COCC[N@@H+]1CCC[C@@H](NC(=O)CSc2cccc(Br)c2)C1 ZINC000678005170 565993296 /nfs/dbraw/zinc/99/32/96/565993296.db2.gz HTEJIILWSDGWMV-CQSZACIVSA-N 1 0 387.343 2.768 20 0 GFADRO COc1cc(Br)cc(NC(=O)Nc2cnn(CC[NH+](C)C)c2)c1 ZINC000678009778 565993712 /nfs/dbraw/zinc/99/37/12/565993712.db2.gz SFOPTFYZDKLCLL-UHFFFAOYSA-N 1 0 382.262 2.860 20 0 GFADRO CCC[N@H+](C)C[C@H]1CCN(S(=O)(=O)c2cscc2Br)C1 ZINC000632047703 565994468 /nfs/dbraw/zinc/99/44/68/565994468.db2.gz PVZLTHCCRBUMLC-LLVKDONJSA-N 1 0 381.361 2.863 20 0 GFADRO O=S(=O)(c1onc(C2CC2)c1Cl)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000632128022 566001496 /nfs/dbraw/zinc/00/14/96/566001496.db2.gz NYXWFAIDRVGUIG-GXTWGEPZSA-N 1 0 385.917 2.843 20 0 GFADRO Cc1cc(C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)c(C)cc1Br ZINC000678144164 566001661 /nfs/dbraw/zinc/00/16/61/566001661.db2.gz VZNXPBANZJZHOS-MRXNPFEDSA-N 1 0 394.357 2.918 20 0 GFADRO C[NH+](C)C(C)(C)CNC(=O)[C@H](c1ccc(Cl)cc1Cl)N1CCOCC1 ZINC000608103937 566004409 /nfs/dbraw/zinc/00/44/09/566004409.db2.gz ZPPGDLFOWAFVTI-INIZCTEOSA-N 1 0 388.339 2.823 20 0 GFADRO O=C(N[C@H]1CCC[N@@H+]2CCCC[C@H]12)c1cn2ccc(Br)cc2n1 ZINC000654315583 566004674 /nfs/dbraw/zinc/00/46/74/566004674.db2.gz SVWWPTTVYURPBR-DZGCQCFKSA-N 1 0 377.286 2.844 20 0 GFADRO C[C@@H](CNC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)Oc1ccccc1Br ZINC000654474902 566010649 /nfs/dbraw/zinc/01/06/49/566010649.db2.gz WNTAVKOTVRRRDQ-MELADBBJSA-N 1 0 384.318 2.856 20 0 GFADRO CCn1cnnc1CC[NH2+][C@@H](C)CC(=O)Nc1ccc(Br)cc1 ZINC000678586753 566013488 /nfs/dbraw/zinc/01/34/88/566013488.db2.gz CYVBHBKSJLSOKJ-LBPRGKRZSA-N 1 0 380.290 2.610 20 0 GFADRO CCC(C)(C)[NH+]1CCN(C(=O)NCc2ccc(S(=O)(=O)CC)s2)CC1 ZINC000654550038 566014043 /nfs/dbraw/zinc/01/40/43/566014043.db2.gz FHYHSHOHPPIDMB-UHFFFAOYSA-N 1 0 387.571 2.558 20 0 GFADRO CO[C@H](C(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1)c1ccccc1Br ZINC000654733562 566021093 /nfs/dbraw/zinc/02/10/93/566021093.db2.gz YVZAYYKYQKRVFT-YOEHRIQHSA-N 1 0 399.329 2.706 20 0 GFADRO CC[NH+]1CCN(CCNC(=O)c2ccc(Br)cc2SC)CC1 ZINC000654779746 566023109 /nfs/dbraw/zinc/02/31/09/566023109.db2.gz BZFIACTXDUUPFW-UHFFFAOYSA-N 1 0 386.359 2.538 20 0 GFADRO C[C@H]([NH2+]CC(=O)N1CCN(C)CC1)c1cc2cc(Br)ccc2o1 ZINC000678924621 566024198 /nfs/dbraw/zinc/02/41/98/566024198.db2.gz NUXCFFPXNMUMCE-LBPRGKRZSA-N 1 0 380.286 2.620 20 0 GFADRO COC(=O)[C@H](C)CN(Cc1cc2c(cc1Br)OCCO2)C1CC1 ZINC000608862671 566025292 /nfs/dbraw/zinc/02/52/92/566025292.db2.gz KLHXHPKCBHUIDW-LLVKDONJSA-N 1 0 384.270 2.994 20 0 GFADRO CO[C@@H](C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1)c1ccccc1Br ZINC000654899241 566028435 /nfs/dbraw/zinc/02/84/35/566028435.db2.gz FIRMYSYIGRPFDU-RHSMWYFYSA-N 1 0 397.313 2.506 20 0 GFADRO COCCOc1ccc(Br)cc1NC(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000679237085 566034103 /nfs/dbraw/zinc/03/41/03/566034103.db2.gz DJJCBRSTPAXCNF-ZDUSSCGKSA-N 1 0 386.290 2.690 20 0 GFADRO C[C@@H]1CC[N@H+](CC(=O)Nc2cc(Br)cc(C(=O)N3CCCC3)c2)C1 ZINC000655039522 566036262 /nfs/dbraw/zinc/03/62/62/566036262.db2.gz DAPKVJXBADVTRW-CYBMUJFWSA-N 1 0 394.313 2.965 20 0 GFADRO COC(=O)CSCCC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000609344092 566036721 /nfs/dbraw/zinc/03/67/21/566036721.db2.gz MKSQPZCYUBLFBR-INIZCTEOSA-N 1 0 384.929 2.889 20 0 GFADRO O=C(N[C@H](CO)c1ccc(Br)cc1)C1C[NH+](C2CCCCC2)C1 ZINC000655036840 566036838 /nfs/dbraw/zinc/03/68/38/566036838.db2.gz VSMGUHUTWFKOOW-QGZVFWFLSA-N 1 0 381.314 2.863 20 0 GFADRO CN(C)C(=O)CC1CC[NH+](C[C@@H](O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000679674186 566048975 /nfs/dbraw/zinc/04/89/75/566048975.db2.gz COZYJWBUFWOMSQ-CQSZACIVSA-N 1 0 389.323 2.923 20 0 GFADRO COc1cc(Br)ccc1CCC(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000679844044 566054555 /nfs/dbraw/zinc/05/45/55/566054555.db2.gz LCTADXGIUTUBGT-UHFFFAOYSA-N 1 0 395.301 2.787 20 0 GFADRO O=C(N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000655472758 566058702 /nfs/dbraw/zinc/05/87/02/566058702.db2.gz ZYRCKMSWYFUEEE-WBHUJUFNSA-N 1 0 382.291 2.605 20 0 GFADRO [NH3+]C[C@H](NC(=O)CCNc1ncc(C(F)(F)F)cc1Cl)C(F)(F)F ZINC000655514072 566062057 /nfs/dbraw/zinc/06/20/57/566062057.db2.gz MBNPEVBTHGJUMA-QMMMGPOBSA-N 1 0 378.704 2.562 20 0 GFADRO Cc1c(Br)cccc1CS(=O)(=O)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000655537854 566065146 /nfs/dbraw/zinc/06/51/46/566065146.db2.gz ZUWFWYWRVIYNNR-ZBEGNZNMSA-N 1 0 387.343 2.660 20 0 GFADRO COc1cc(NC(=O)N2CC[NH+](C3CCCC3)CC2)ncc1Br ZINC000680368748 566068625 /nfs/dbraw/zinc/06/86/25/566068625.db2.gz WBZHJZFUHHXSNA-UHFFFAOYSA-N 1 0 383.290 2.945 20 0 GFADRO C[C@H]1C[C@@H]([NH3+])CN1C(=O)Nc1cccc(Oc2ncc(Br)cn2)c1 ZINC000632922809 566074431 /nfs/dbraw/zinc/07/44/31/566074431.db2.gz KTQDXBIAZJRQIZ-CMPLNLGQSA-N 1 0 392.257 2.985 20 0 GFADRO C[NH+](C)[C@H]1C[C@@H](CNS(=O)(=O)c2cc(Br)ccc2Cl)C1 ZINC000655633253 566075356 /nfs/dbraw/zinc/07/53/56/566075356.db2.gz HWAVJXYFUTYLGK-JGZJWPJOSA-N 1 0 381.723 2.721 20 0 GFADRO Ic1ccc(CN2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000610367250 566079070 /nfs/dbraw/zinc/07/90/70/566079070.db2.gz FAJVZAGCPOOASG-INIZCTEOSA-N 1 0 386.277 2.588 20 0 GFADRO C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)Nc1ccc(Br)c(Cl)c1Cl ZINC000633040466 566080834 /nfs/dbraw/zinc/08/08/34/566080834.db2.gz PRAMFZAKVPNWBI-NKWVEPMBSA-N 1 0 395.084 2.643 20 0 GFADRO O=C(NCCC[NH2+][C@H]1CCCn2ccnc21)c1cccc(Br)c1 ZINC000655704344 566082490 /nfs/dbraw/zinc/08/24/90/566082490.db2.gz BCRHXYAXWDUJDB-HNNXBMFYSA-N 1 0 377.286 2.890 20 0 GFADRO CN1CC[NH+]([C@H]2CC[C@@H](NC(=O)c3ccc(Br)cc3)CC2)CC1 ZINC000680840617 566083873 /nfs/dbraw/zinc/08/38/73/566083873.db2.gz OMMYMOMPTZMOCA-CALCHBBNSA-N 1 0 380.330 2.738 20 0 GFADRO Cc1nn(-c2ccccc2Br)cc1C[NH2+]C[C@]1(O)CCO[C@@H]1C ZINC000655768678 566088297 /nfs/dbraw/zinc/08/82/97/566088297.db2.gz MCFZPVWKKLUJOZ-CXAGYDPISA-N 1 0 380.286 2.573 20 0 GFADRO COC[C@@](C)(O)CC[NH2+]Cc1cn(-c2cccc(Br)c2)nc1C ZINC000655776320 566088804 /nfs/dbraw/zinc/08/88/04/566088804.db2.gz FWCHEPYRWGXMSG-KRWDZBQOSA-N 1 0 382.302 2.820 20 0 GFADRO Cc1nn(-c2ccccc2Br)cc1C[NH2+][C@H](C)C(=O)NC(C)C ZINC000655781226 566089006 /nfs/dbraw/zinc/08/90/06/566089006.db2.gz CQGDJUZFKKQRTQ-CYBMUJFWSA-N 1 0 379.302 2.946 20 0 GFADRO Cc1nn(-c2cccc(Br)c2)cc1C[NH2+]CC[C@]1(O)CCOC1 ZINC000655799938 566090028 /nfs/dbraw/zinc/09/00/28/566090028.db2.gz RIUYMTJPVGJFNE-KRWDZBQOSA-N 1 0 380.286 2.574 20 0 GFADRO [NH3+]C[C@@H](NC(=O)N1CCC[C@@H](c2nc3c(s2)CCCC3)C1)C(F)(F)F ZINC000655919425 566095603 /nfs/dbraw/zinc/09/56/03/566095603.db2.gz CIOZMNNQROGZCY-ZWNOBZJWSA-N 1 0 376.448 2.801 20 0 GFADRO [NH3+]C[C@H](NC(=O)NCC1(c2cccc(Cl)c2)CCOCC1)C(F)(F)F ZINC000655914594 566095808 /nfs/dbraw/zinc/09/58/08/566095808.db2.gz MVLVJSSXLWOMLQ-ZDUSSCGKSA-N 1 0 379.810 2.577 20 0 GFADRO C[NH+](C)CCn1cc(NC(=O)N2Cc3cccc(Br)c3C2)cn1 ZINC000681179538 566096742 /nfs/dbraw/zinc/09/67/42/566096742.db2.gz LWDBBYUAPZKUID-UHFFFAOYSA-N 1 0 378.274 2.755 20 0 GFADRO COc1cc(Br)ccc1[C@@H](C)NC(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000655929908 566096881 /nfs/dbraw/zinc/09/68/81/566096881.db2.gz XLIPIZPNDYYMBC-HQJQHLMTSA-N 1 0 384.196 2.708 20 0 GFADRO Cc1c(Br)cccc1CS(=O)(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000655949737 566097604 /nfs/dbraw/zinc/09/76/04/566097604.db2.gz AOXIMLLMUBYVJW-DUVNUKRYSA-N 1 0 387.343 2.647 20 0 GFADRO C[C@H](NC(=O)c1cc(I)ccc1F)C1CC[NH+](C)CC1 ZINC000610773177 566098325 /nfs/dbraw/zinc/09/83/25/566098325.db2.gz YJGAGNIAVVYZDX-JTQLQIEISA-N 1 0 390.240 2.890 20 0 GFADRO O=C(NCc1ccsc1C(F)(F)F)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000633377925 566099043 /nfs/dbraw/zinc/09/90/43/566099043.db2.gz XTYDNOKYEBKNSI-ZDUSSCGKSA-N 1 0 377.432 2.819 20 0 GFADRO Cc1csc(-c2ccc(S(=O)(=O)N3C[C@@H]4CCC[C@]4(C[NH3+])C3)cc2)n1 ZINC000655953206 566099177 /nfs/dbraw/zinc/09/91/77/566099177.db2.gz IKLOGPCKSIYOIW-YJBOKZPZSA-N 1 0 377.535 2.868 20 0 GFADRO Cc1cc(Br)oc1C(=O)N1CCc2[nH]cnc2C12CCOCC2 ZINC000633526570 566107719 /nfs/dbraw/zinc/10/77/19/566107719.db2.gz SKFGGSVLHZCDLN-UHFFFAOYSA-N 1 0 380.242 2.778 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1cccc(F)c1I ZINC000611002008 566110249 /nfs/dbraw/zinc/11/02/49/566110249.db2.gz XHSZYENRPVEAOB-MNOVXSKESA-N 1 0 388.224 2.787 20 0 GFADRO CC[N@H+](CCOCCO)Cc1cn(-c2ccccc2Br)nc1C ZINC000656259902 566118725 /nfs/dbraw/zinc/11/87/25/566118725.db2.gz NYEBHKCZXZARMP-UHFFFAOYSA-N 1 0 382.302 2.774 20 0 GFADRO Cc1nn(-c2ccccc2Br)cc1C[N@@H+](CCO)[C@H]1CCO[C@@H]1C ZINC000656262922 566120785 /nfs/dbraw/zinc/12/07/85/566120785.db2.gz VKEMQYHXBWDODU-PBHICJAKSA-N 1 0 394.313 2.915 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)C(=O)NCCCc2c(Cl)cccc2Cl)CC[N@@H+]1C ZINC000656316629 566123610 /nfs/dbraw/zinc/12/36/10/566123610.db2.gz SISXKKRPVIRPFM-OLZOCXBDSA-N 1 0 386.323 2.641 20 0 GFADRO CC[N@@H+]1CCN(C(=O)Nc2ccc(Br)c(C(=O)OC)c2)C[C@@H]1C ZINC000611391359 566129277 /nfs/dbraw/zinc/12/92/77/566129277.db2.gz HRGOUWHAUZUWBC-NSHDSACASA-N 1 0 384.274 2.794 20 0 GFADRO C[C@@H]1C[C@H](N(C)C(=O)c2cnc3ncc(Br)cc3c2)CC[N@@H+]1C ZINC000682000670 566137313 /nfs/dbraw/zinc/13/73/13/566137313.db2.gz DSZDLACJIVJFJD-IAQYHMDHSA-N 1 0 377.286 2.947 20 0 GFADRO CCO[C@@H]1C[C@](CO)([NH2+]C[C@H](O)COc2ccc(Cl)c(Cl)c2)C1(C)C ZINC000682043202 566141579 /nfs/dbraw/zinc/14/15/79/566141579.db2.gz IOQOVTKTQDZOLI-BJOOFOGMSA-N 1 0 392.323 2.889 20 0 GFADRO C[C@@H]1CN(C[C@@H](O)COc2ccc(Cl)c(Cl)c2)CC[N@@H+]1CC(C)(C)O ZINC000682043186 566142007 /nfs/dbraw/zinc/14/20/07/566142007.db2.gz HPOFQZBBXWRGHQ-ZIAGYGMSSA-N 1 0 391.339 2.510 20 0 GFADRO C[NH+](C)C1(CNC(=O)[C@]23CCC(=O)N2c2cc(Cl)ccc2S3)CCC1 ZINC000682170942 566145456 /nfs/dbraw/zinc/14/54/56/566145456.db2.gz SMMSYZRLWCNVHP-GOSISDBHSA-N 1 0 379.913 2.869 20 0 GFADRO C[NH+](C)C1(CNC(=O)[C@@]23CCC(=O)N2c2cc(Cl)ccc2S3)CCC1 ZINC000682170945 566145474 /nfs/dbraw/zinc/14/54/74/566145474.db2.gz SMMSYZRLWCNVHP-SFHVURJKSA-N 1 0 379.913 2.869 20 0 GFADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)Nc1c(F)cccc1Br ZINC000682275340 566149441 /nfs/dbraw/zinc/14/94/41/566149441.db2.gz ZZSYFGDLVSVLHI-NSHDSACASA-N 1 0 386.265 2.517 20 0 GFADRO C[NH+]1CCN(c2ccnc(NC(=O)c3cscc3Br)c2)CC1 ZINC000634193975 566149527 /nfs/dbraw/zinc/14/95/27/566149527.db2.gz OIAAZEJINKOLTF-UHFFFAOYSA-N 1 0 381.299 2.910 20 0 GFADRO C[C@@]([NH3+])(C(=O)Nc1nnc([C@@H]2CCCO2)s1)c1ccc(Br)cc1 ZINC000634308065 566152977 /nfs/dbraw/zinc/15/29/77/566152977.db2.gz IJNZRSUUUBZLCO-NHYWBVRUSA-N 1 0 397.298 2.965 20 0 GFADRO CN(Cc1ccc(Cl)s1)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000612439312 566162276 /nfs/dbraw/zinc/16/22/76/566162276.db2.gz GRTVEFPJIXBOMI-CYBMUJFWSA-N 1 0 383.945 2.883 20 0 GFADRO CC1(C)C[C@@H]([NH2+]CCNS(=O)(=O)c2cccc(Cl)c2Cl)CCO1 ZINC000634684782 566169461 /nfs/dbraw/zinc/16/94/61/566169461.db2.gz ZBMORZIPGHDUMS-NSHDSACASA-N 1 0 381.325 2.819 20 0 GFADRO C[C@](O)(C[C@H](O)C[NH2+][C@@H]1CCN(c2ccc(Br)cc2)C1)C1CC1 ZINC000634702658 566171436 /nfs/dbraw/zinc/17/14/36/566171436.db2.gz JUQFUWFAQDKZFQ-NJAFHUGGSA-N 1 0 383.330 2.529 20 0 GFADRO CC[NH+](CC)[C@H](C)CNS(=O)(=O)Cc1cc(F)ccc1Br ZINC000656873155 566171533 /nfs/dbraw/zinc/17/15/33/566171533.db2.gz FUVXBLBPNCOETB-LLVKDONJSA-N 1 0 381.311 2.738 20 0 GFADRO CCn1c2ccc(Br)cc2nc1C[NH2+]C[C@H](O)C[C@](C)(O)C1CC1 ZINC000634712327 566171886 /nfs/dbraw/zinc/17/18/86/566171886.db2.gz CSENDLFOWDFGKQ-KDOFPFPSSA-N 1 0 396.329 2.820 20 0 GFADRO CC[NH+](CC)CCN(CC(C)C)S(=O)(=O)c1ncccc1Br ZINC000656874101 566172108 /nfs/dbraw/zinc/17/21/08/566172108.db2.gz HWYTWSYWSGWJCC-UHFFFAOYSA-N 1 0 392.363 2.833 20 0 GFADRO O[C@@H](C[NH2+]CC1(c2ccccc2Br)CCC1)CC1(O)CCOCC1 ZINC000634715216 566172258 /nfs/dbraw/zinc/17/22/58/566172258.db2.gz ZIUIPJCAWLYDGN-OAHLLOKOSA-N 1 0 398.341 2.753 20 0 GFADRO CC[C@@H]([NH2+]C[C@@H](O)CC1(O)CCOCC1)c1cc(F)cc(Br)c1 ZINC000634711322 566172323 /nfs/dbraw/zinc/17/23/23/566172323.db2.gz MTUGIMUJISKPST-JKSUJKDBSA-N 1 0 390.293 2.921 20 0 GFADRO C[C@](O)(C[C@H](O)C[NH2+][C@@H](CO)c1ccc(Cl)cc1C(F)(F)F)C1CC1 ZINC000634721161 566172731 /nfs/dbraw/zinc/17/27/31/566172731.db2.gz UPXNKIUJMLNSTL-RCBQFDQVSA-N 1 0 381.822 2.894 20 0 GFADRO CC[N@@H+]1CCCN(c2nnc(-c3cc(Br)c[nH]3)n2CC2CC2)CC1 ZINC000612746146 566173145 /nfs/dbraw/zinc/17/31/45/566173145.db2.gz VMHVKODGFPFBJQ-UHFFFAOYSA-N 1 0 393.333 2.978 20 0 GFADRO O=C(N[C@]12CCC[C@@H]1C[NH2+]C2)C1CCN(C(=O)c2ccc(Cl)s2)CC1 ZINC000634767054 566174888 /nfs/dbraw/zinc/17/48/88/566174888.db2.gz GSHKZWCMEQJELF-ACJLOTCBSA-N 1 0 381.929 2.512 20 0 GFADRO CC[C@@H](C)[N@H+](C)CCNS(=O)(=O)Cc1cc(F)ccc1Br ZINC000656896632 566177499 /nfs/dbraw/zinc/17/74/99/566177499.db2.gz JBJHMNRNDBRZSX-LLVKDONJSA-N 1 0 381.311 2.738 20 0 GFADRO C[C@H]1C[C@@H](N(C)S(=O)(=O)Cc2cc(F)ccc2Br)CC[N@@H+]1C ZINC000656917178 566183105 /nfs/dbraw/zinc/18/31/05/566183105.db2.gz YDPBLGDFZBINGT-FZMZJTMJSA-N 1 0 393.322 2.833 20 0 GFADRO CC(C)OCC[NH+]1CCC(NS(=O)(=O)Cc2cc(F)ccc2Cl)CC1 ZINC000656927630 566185162 /nfs/dbraw/zinc/18/51/62/566185162.db2.gz YPSBVUIMLCUVOV-UHFFFAOYSA-N 1 0 392.924 2.788 20 0 GFADRO O=S1(=O)CCC[C@@H]([NH2+][C@H]2CCN(c3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000634962163 566186131 /nfs/dbraw/zinc/18/61/31/566186131.db2.gz MSWSFOKMFZXWLH-CABCVRRESA-N 1 0 376.444 2.841 20 0 GFADRO COc1cc(C[NH2+][C@H]2CCCS(=O)(=O)CC2)cc(Br)c1OC ZINC000634960321 566186161 /nfs/dbraw/zinc/18/61/61/566186161.db2.gz PCKZQXPYFPNXKL-LBPRGKRZSA-N 1 0 392.315 2.523 20 0 GFADRO COc1cc(C[NH2+][C@H]2CCCS(=O)(=O)CC2)ccc1OCC(F)(F)F ZINC000634951622 566186288 /nfs/dbraw/zinc/18/62/88/566186288.db2.gz BIGJFUUASBJOTM-ZDUSSCGKSA-N 1 0 381.416 2.693 20 0 GFADRO C[NH+](C)C1(CNC(=O)C(=O)Nc2cscc2Cl)Cc2ccccc2C1 ZINC000635065046 566191829 /nfs/dbraw/zinc/19/18/29/566191829.db2.gz IWCYRIYARUEZJN-UHFFFAOYSA-N 1 0 377.897 2.555 20 0 GFADRO C[C@@H](NC(=O)c1cc(Br)cc2c1OCCO2)C1=CC[N@H+](C)CC1 ZINC000613375470 566196102 /nfs/dbraw/zinc/19/61/02/566196102.db2.gz NNZODJLHJQWFFP-LLVKDONJSA-N 1 0 381.270 2.601 20 0 GFADRO O=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)N[C@H](CO)c1ccc(Br)cc1 ZINC000683391854 566197190 /nfs/dbraw/zinc/19/71/90/566197190.db2.gz REEZWYQZFIKQHP-DLBZAZTESA-N 1 0 396.329 2.799 20 0 GFADRO CC[NH+](CC)CCOCCNC(=O)c1ccc(Br)c(F)c1C ZINC000613479400 566198522 /nfs/dbraw/zinc/19/85/22/566198522.db2.gz IQCIGPPRRCWIKA-UHFFFAOYSA-N 1 0 375.282 2.985 20 0 GFADRO C[C@H](NC(=O)C[C@H]1CC[N@H+](C)C1)c1cc2c(cc1Br)OCCO2 ZINC000635391786 566209469 /nfs/dbraw/zinc/20/94/69/566209469.db2.gz WAMDAHSINKONPN-NWDGAFQWSA-N 1 0 383.286 2.739 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@H](CNS(=O)(=O)c2ccccc2OC(F)(F)F)C1 ZINC000657033627 566209759 /nfs/dbraw/zinc/20/97/59/566209759.db2.gz KPCMNWWATHTGFI-GFCCVEGCSA-N 1 0 380.432 2.984 20 0 GFADRO C[NH+](C)CC1(C(=O)NCC2(c3cccc(Br)c3)CCOCC2)CC1 ZINC000635390814 566209899 /nfs/dbraw/zinc/20/98/99/566209899.db2.gz LESZDYRYPLMFEH-UHFFFAOYSA-N 1 0 395.341 2.955 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@H](NS(=O)(=O)c2ccc(OCC(F)(F)F)cc2)C1 ZINC000657063420 566215486 /nfs/dbraw/zinc/21/54/86/566215486.db2.gz XIUKUWROCOJSFP-LBPRGKRZSA-N 1 0 380.432 2.779 20 0 GFADRO C[C@@H](Oc1ccc(Cl)c(Cl)c1)C(=O)N1CCC[C@](O)(C[NH+](C)C)C1 ZINC000683913934 566218436 /nfs/dbraw/zinc/21/84/36/566218436.db2.gz PARZHZPJDZENSL-PXAZEXFGSA-N 1 0 375.296 2.676 20 0 GFADRO C[NH+](C)C[C@]1(O)CCCN(C(=O)c2cc(Cl)ccc2Br)C1 ZINC000683914649 566218712 /nfs/dbraw/zinc/21/87/12/566218712.db2.gz UJRPLXLDCJTHFJ-OAHLLOKOSA-N 1 0 375.694 2.631 20 0 GFADRO C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC000635611863 566221304 /nfs/dbraw/zinc/22/13/04/566221304.db2.gz BXOLKZPPOMEOTB-CVEARBPZSA-N 1 0 394.357 2.996 20 0 GFADRO COCCOc1c(Cl)cc(S(=O)(=O)NCC[C@H](C)[NH+](C)C)cc1Cl ZINC000657090738 566221997 /nfs/dbraw/zinc/22/19/97/566221997.db2.gz IMTBXCPGHXVDMC-NSHDSACASA-N 1 0 399.340 2.637 20 0 GFADRO CC[C@H](CNS(=O)(=O)Cc1csc(C)n1)[N@@H+]1CCc2ccccc2C1 ZINC000684096424 566226107 /nfs/dbraw/zinc/22/61/07/566226107.db2.gz TXOTWISAHUTJEX-GOSISDBHSA-N 1 0 379.551 2.708 20 0 GFADRO C[NH+](C)C[C@@]1(O)CCCN(C(=O)c2csc(-c3cccc(Cl)c3)n2)C1 ZINC000684176033 566229537 /nfs/dbraw/zinc/22/95/37/566229537.db2.gz RUPZWFKGYUBYTP-SFHVURJKSA-N 1 0 379.913 2.992 20 0 GFADRO CCn1c(C[NH2+]C[C@H]2CNc3ccnn3C2)nc2cc(Br)ccc21 ZINC000684204732 566230513 /nfs/dbraw/zinc/23/05/13/566230513.db2.gz YCZLIOCAHAKHEW-LBPRGKRZSA-N 1 0 389.301 2.847 20 0 GFADRO C[C@@H](O)C[N@@H+]1CCN(C(=O)CCCc2cccc(Br)c2)[C@@H](C)C1 ZINC000684480868 566236286 /nfs/dbraw/zinc/23/62/86/566236286.db2.gz NPXGCYZHMBVRFQ-LSDHHAIUSA-N 1 0 383.330 2.685 20 0 GFADRO C[C@@H](O)C[N@@H+]1CCN(C(=O)CCCc2cccc(Br)c2)[C@H](C)C1 ZINC000684480866 566236568 /nfs/dbraw/zinc/23/65/68/566236568.db2.gz NPXGCYZHMBVRFQ-HUUCEWRRSA-N 1 0 383.330 2.685 20 0 GFADRO O=S1(=O)CCCN1CCC[NH2+][C@H]1CCCc2cc(Br)ccc21 ZINC000684552882 566237942 /nfs/dbraw/zinc/23/79/42/566237942.db2.gz PZIIIZOJEBUTIB-INIZCTEOSA-N 1 0 387.343 2.842 20 0 GFADRO C[C@H]([NH2+]Cc1ccc(-c2nn[nH]n2)cc1)c1cc(F)ccc1N1CCC(O)CC1 ZINC000736134676 598837238 /nfs/dbraw/zinc/83/72/38/598837238.db2.gz LESFAOLLHLPYRK-AWEZNQCLSA-N 1 0 396.470 2.818 20 0 GFADRO C[C@@H](CC1CCCC1)C(=O)N(CC[NH+](C)C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000735985485 598904128 /nfs/dbraw/zinc/90/41/28/598904128.db2.gz LQOZHFQAUICMIC-INIZCTEOSA-N 1 0 384.528 2.973 20 0 GFADRO C[C@@H](CC[NH+](C)C)NC(=O)c1cccc(COc2ccccc2-c2nn[nH]n2)c1 ZINC000735987382 598932256 /nfs/dbraw/zinc/93/22/56/598932256.db2.gz TYTCHRKWWKWCGL-HNNXBMFYSA-N 1 0 394.479 2.516 20 0 GFADRO c1ccc(C[N@H+]2CCC[C@H]2CNc2nc3c(cc2-c2nn[nH]n2)CCC3)cc1 ZINC000738433887 598944703 /nfs/dbraw/zinc/94/47/03/598944703.db2.gz XXOURCJZHPVYLB-KRWDZBQOSA-N 1 0 375.480 2.827 20 0 GFADRO CC[NH+](CC)[C@@H](CNc1c2ccccc2nnc1-c1nn[nH]n1)c1ccco1 ZINC000736534497 598961437 /nfs/dbraw/zinc/96/14/37/598961437.db2.gz POFSPSSFZARZMN-HNNXBMFYSA-N 1 0 378.440 2.898 20 0 GFADRO Clc1ccc(CCC[NH+]2CCN(c3cc(-c4nn[nH]n4)ccn3)CC2)cc1 ZINC000737577151 598981669 /nfs/dbraw/zinc/98/16/69/598981669.db2.gz ULDMNLHRCGOOGU-UHFFFAOYSA-N 1 0 383.887 2.670 20 0 GFADRO C[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2F)CC[C@H]1NC(=O)OC(C)(C)C ZINC000736285980 598988950 /nfs/dbraw/zinc/98/89/50/598988950.db2.gz LJGKVNQQKRWVDN-MLGOLLRUSA-N 1 0 390.463 2.741 20 0 GFADRO CC[NH+](CC)CCNC(=O)c1cccc(COc2cccc(-c3nn[nH]n3)c2)c1 ZINC000736531401 599018657 /nfs/dbraw/zinc/01/86/57/599018657.db2.gz VSJZZHQFGNKYEE-UHFFFAOYSA-N 1 0 394.479 2.517 20 0 GFADRO O=C(OCc1ccc(-c2nn[nH]n2)cc1F)C1CC[NH+](Cc2ccccc2)CC1 ZINC000738232991 599057551 /nfs/dbraw/zinc/05/75/51/599057551.db2.gz ZDEIMKJJQVNXMW-UHFFFAOYSA-N 1 0 395.438 2.961 20 0 GFADRO C[N@H+](Cc1cccc(-c2nn[nH]n2)c1)[C@@H]1CCCN(c2cccc(F)c2)C1=O ZINC000736822317 599068053 /nfs/dbraw/zinc/06/80/53/599068053.db2.gz LNEXYSULZSQYBI-GOSISDBHSA-N 1 0 380.427 2.633 20 0 GFADRO C[NH+](C)CCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)[C@@H]1C[C@H]1C1CCCCC1 ZINC000736767187 599071308 /nfs/dbraw/zinc/07/13/08/599071308.db2.gz NJGYEEFPTXGYIS-VQTJNVASSA-N 1 0 396.539 2.973 20 0 GFADRO Cc1cccc([C@@H](C)[NH2+][C@H]2CCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)c1C ZINC000737391322 599100564 /nfs/dbraw/zinc/10/05/64/599100564.db2.gz ZWJCZZYVYWZGHX-BEFAXECRSA-N 1 0 376.464 2.940 20 0 GFADRO Cc1cc(C)c(-c2nn[nH]n2)c(N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000822191750 599107036 /nfs/dbraw/zinc/10/70/36/599107036.db2.gz PNEFMHISEUSHCQ-GOSISDBHSA-N 1 0 377.496 2.837 20 0 GFADRO C[C@H]1CCN(C(=O)Nc2ccc(-c3nn[nH]n3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000820715727 599243159 /nfs/dbraw/zinc/24/31/59/599243159.db2.gz DUEMWKKXPVFWPO-INIZCTEOSA-N 1 0 391.479 2.995 20 0 GFADRO c1ccc2c(c1)CC[N@@H+](CCCNc1c(-c3nn[nH]n3)cnc3ccccc31)C2 ZINC000738443746 599271699 /nfs/dbraw/zinc/27/16/99/599271699.db2.gz ZIRNXCPUSDFCOT-UHFFFAOYSA-N 1 0 385.475 2.697 20 0 GFADRO O=C(CC[N@@H+]1CCS[C@@H](c2ccccc2)C1)Nc1ccccc1-c1nn[nH]n1 ZINC000737846290 599272018 /nfs/dbraw/zinc/27/20/18/599272018.db2.gz IYNFERWBOXTMJG-GOSISDBHSA-N 1 0 394.504 2.985 20 0 GFADRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)Nc1ccc(-c2nn[nH]n2)c(C(F)(F)F)c1 ZINC000821623709 599291744 /nfs/dbraw/zinc/29/17/44/599291744.db2.gz QUURLZCDEIWVNW-NSHDSACASA-N 1 0 397.405 2.691 20 0 GFADRO CC1(C)CN(C(=O)Cc2ccc(-c3nn[nH]n3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000736214048 598243750 /nfs/dbraw/zinc/24/37/50/598243750.db2.gz NLDTYXZWCMGFKZ-UHFFFAOYSA-N 1 0 390.491 2.532 20 0 GFADRO O[C@@H](C[NH2+][C@H](c1ccc(F)cc1)C1CCC1)COc1ccc(-c2nn[nH]n2)cc1 ZINC000738382028 598248371 /nfs/dbraw/zinc/24/83/71/598248371.db2.gz OTGAUVYLUOQOGO-ICSRJNTNSA-N 1 0 397.454 2.877 20 0 GFADRO O[C@@H](C[NH+]1CCC(Oc2cccc(-c3nn[nH]n3)c2)CC1)c1cccc(F)c1 ZINC000738383979 598249340 /nfs/dbraw/zinc/24/93/40/598249340.db2.gz YUMFMNNSNGRCPV-IBGZPJMESA-N 1 0 383.427 2.583 20 0 GFADRO Cc1ccccc1[C@@H]1CC[N@@H+]([C@@H]2CCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)C1 ZINC000737425195 598255425 /nfs/dbraw/zinc/25/54/25/598255425.db2.gz ZZEHXVPAZSIOJX-YLJYHZDGSA-N 1 0 388.475 2.770 20 0 GFADRO C[NH+](C)[C@@H]1CCN(C(=O)Nc2cccc(Oc3ccc(-c4nn[nH]n4)cc3)c2)C1 ZINC000736756068 598267175 /nfs/dbraw/zinc/26/71/75/598267175.db2.gz HZJQRGRREZAJRP-MRXNPFEDSA-N 1 0 393.451 2.827 20 0 GFADRO CC(C)CN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000735830116 598270356 /nfs/dbraw/zinc/27/03/56/598270356.db2.gz DRPSSPXDRAXKCW-HNNXBMFYSA-N 1 0 385.516 2.517 20 0 GFADRO C[C@H]([NH2+]Cc1cccc(-c2nn[nH]n2)c1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000736133178 598274849 /nfs/dbraw/zinc/27/48/49/598274849.db2.gz FWGDZAMRVHPXDY-WMLDXEAASA-N 1 0 386.500 2.992 20 0 GFADRO O=C(Nc1ccc(F)cc1)C1CC[NH+](Cc2cc(-c3nn[nH]n3)ccc2F)CC1 ZINC000738164981 598301210 /nfs/dbraw/zinc/30/12/10/598301210.db2.gz AEYZXUAIJKZZDT-UHFFFAOYSA-N 1 0 398.417 2.996 20 0 GFADRO CC(C)C[C@H](CNC(=S)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)[NH+](C)C ZINC000735773214 598319670 /nfs/dbraw/zinc/31/96/70/598319670.db2.gz WOQXXYSPBUPQLQ-GFCCVEGCSA-N 1 0 381.937 2.783 20 0 GFADRO C[C@@H](CNC(=S)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000736268575 598320444 /nfs/dbraw/zinc/32/04/44/598320444.db2.gz YFYDYMQLEVJBJT-NEPJUHHUSA-N 1 0 393.948 2.927 20 0 GFADRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=S)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000736266787 598322132 /nfs/dbraw/zinc/32/21/32/598322132.db2.gz PCOIJFNWHMARLC-NWDGAFQWSA-N 1 0 393.948 2.927 20 0 GFADRO c1ccc(-c2nn[nH]n2)c(CSCC[NH2+]Cc2ccc3c(c2)OCCO3)c1 ZINC000738423839 598361316 /nfs/dbraw/zinc/36/13/16/598361316.db2.gz VPIVPTQPEGWOTH-UHFFFAOYSA-N 1 0 383.477 2.661 20 0 GFADRO c1ccc(-c2noc(C3CC[NH+](Cc4ccccc4-c4nn[nH]n4)CC3)n2)nc1 ZINC000738425854 598361374 /nfs/dbraw/zinc/36/13/74/598361374.db2.gz ONABXFWTABTOEH-UHFFFAOYSA-N 1 0 388.435 2.691 20 0 GFADRO O[C@H](COc1ccc(-c2nn[nH]n2)cc1)C[N@@H+]1CCC[C@@H](Cc2ccccc2)C1 ZINC000738383260 598373597 /nfs/dbraw/zinc/37/35/97/598373597.db2.gz ACBLOKXPDOOTIY-ICSRJNTNSA-N 1 0 393.491 2.561 20 0 GFADRO C[C@@H](NC(=O)OC(C)(C)C)C1CC[NH+](Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000736118191 598405565 /nfs/dbraw/zinc/40/55/65/598405565.db2.gz UNTSFWHFVJKNNZ-CQSZACIVSA-N 1 0 386.500 2.992 20 0 GFADRO C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)c2ccc(-c3nn[nH]n3)cn2)cc1 ZINC000736267843 598445317 /nfs/dbraw/zinc/44/53/17/598445317.db2.gz PPEQYAYOMGGGBA-AWEZNQCLSA-N 1 0 377.452 2.888 20 0 GFADRO O=C(N[C@H](C[NH+]1CCCCC1)c1ccccc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000737995473 598496267 /nfs/dbraw/zinc/49/62/67/598496267.db2.gz LLERCAGAVJJEIA-LJQANCHMSA-N 1 0 376.464 2.824 20 0 GFADRO C[N@@H+]1CCC[C@H](CNC(=O)c2ccccc2-c2ccccc2-c2nn[nH]n2)C1 ZINC000736859303 598497641 /nfs/dbraw/zinc/49/76/41/598497641.db2.gz YYFHIJWMXVPUIT-OAHLLOKOSA-N 1 0 376.464 2.605 20 0 GFADRO CCc1ccc([C@@H]([NH2+]C[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)C(C)C)cc1 ZINC000736686513 598518907 /nfs/dbraw/zinc/51/89/07/598518907.db2.gz OSVWVWYUKJHEBG-YJBOKZPZSA-N 1 0 380.500 2.654 20 0 GFADRO Fc1ccc([C@H]([NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)C2CCCC2)cc1 ZINC000737652518 598527773 /nfs/dbraw/zinc/52/77/73/598527773.db2.gz UVWKRFREWPWXMR-FZKQIMNGSA-N 1 0 396.474 2.765 20 0 GFADRO CCCC[C@H]([NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1ccc(OC)cc1 ZINC000736437113 598529320 /nfs/dbraw/zinc/52/93/20/598529320.db2.gz HBUQUGYAICSICJ-KDOFPFPSSA-N 1 0 396.499 2.635 20 0 GFADRO Clc1ccc([C@@H]([NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)C2CCC2)cc1 ZINC000737571223 598531040 /nfs/dbraw/zinc/53/10/40/598531040.db2.gz XGIAKUKEYIKLIH-PXAZEXFGSA-N 1 0 398.902 2.889 20 0 GFADRO O=C(Cc1ccc(-c2nn[nH]n2)cc1)NC[C@@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000737962008 598569998 /nfs/dbraw/zinc/56/99/98/598569998.db2.gz MQAMUMNLNQXIGC-IBGZPJMESA-N 1 0 382.512 2.570 20 0 GFADRO C[N@H+](Cc1ccccc1-c1nn[nH]n1)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000736829132 598627201 /nfs/dbraw/zinc/62/72/01/598627201.db2.gz YZEWKKJIUBOMIR-KRWDZBQOSA-N 1 0 382.855 2.757 20 0 GFADRO C[C@@H](CNC(=O)Nc1ccc(F)c(-c2nn[nH]n2)c1)[N@@H+]1CCc2ccccc2C1 ZINC000736017036 598627283 /nfs/dbraw/zinc/62/72/83/598627283.db2.gz HJAHZAHIPZWWMV-ZDUSSCGKSA-N 1 0 395.442 2.574 20 0 GFADRO CCOc1ccc(C[NH+]2CCN(c3ccc(F)cc3-c3nn[nH]n3)CC2)cc1 ZINC000736644071 598631677 /nfs/dbraw/zinc/63/16/77/598631677.db2.gz RRVCQAUBVXMABX-UHFFFAOYSA-N 1 0 382.443 2.727 20 0 GFADRO O=C(C=Cc1ccccc1-c1nn[nH]n1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000737803066 598669014 /nfs/dbraw/zinc/66/90/14/598669014.db2.gz ZXQBDFSPUWWAAP-DXRVJIQQSA-N 1 0 394.523 2.995 20 0 GFADRO Cc1cc(C)c(-c2nn[nH]n2)c(NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)n1 ZINC000737240060 598674459 /nfs/dbraw/zinc/67/44/59/598674459.db2.gz HQDUCTGVVLVCMC-SFHVURJKSA-N 1 0 377.496 2.855 20 0 GFADRO C[NH+](C)CCCOc1ccc(CNc2ncc(-c3nn[nH]n3)cc2Cl)cc1 ZINC000736767873 598674689 /nfs/dbraw/zinc/67/46/89/598674689.db2.gz SVTOFFQNVVIHLQ-UHFFFAOYSA-N 1 0 387.875 2.858 20 0 GFADRO Cc1ccccc1C(=O)NC1CC[NH+](Cc2ccc(F)cc2-c2nn[nH]n2)CC1 ZINC000737414703 598680897 /nfs/dbraw/zinc/68/08/97/598680897.db2.gz BGEHWIQJSFGNQG-UHFFFAOYSA-N 1 0 394.454 2.709 20 0 GFADRO COc1ccc2c(c1)CCC[N@@H+](CCC(=O)Nc1ccccc1-c1nn[nH]n1)C2 ZINC000737118188 598685366 /nfs/dbraw/zinc/68/53/66/598685366.db2.gz BVRIGTIZSNXYBQ-UHFFFAOYSA-N 1 0 392.463 2.652 20 0 GFADRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C=Cc2ccccc2-c2nn[nH]n2)C1 ZINC000736402902 598694531 /nfs/dbraw/zinc/69/45/31/598694531.db2.gz PVPPEIBWUKSTSG-YUQCYMQKSA-N 1 0 382.512 2.897 20 0 GFADRO O=C(NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)c1cccc(-c2nn[nH]n2)c1 ZINC000738026894 598697774 /nfs/dbraw/zinc/69/77/74/598697774.db2.gz WQFYSZBJQFYMFL-UHFFFAOYSA-N 1 0 396.882 2.915 20 0 GFADRO Cc1cccc(CN(CC[NH+](C)C)C(=O)Nc2cccc(-c3nn[nH]n3)c2)c1 ZINC000737394296 598699308 /nfs/dbraw/zinc/69/93/08/598699308.db2.gz RBKIWGOEGJJYRO-UHFFFAOYSA-N 1 0 379.468 2.771 20 0 GFADRO CC(C)[N@H+](C)CCNC(=O)c1cccc(Oc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000735856939 598699814 /nfs/dbraw/zinc/69/98/14/598699814.db2.gz MECCDBUULHZCIV-UHFFFAOYSA-N 1 0 380.452 2.729 20 0 GFADRO C[NH+]1CCC(Nc2ccccc2NC(=O)c2sccc2-c2nn[nH]n2)CC1 ZINC000736856197 598717914 /nfs/dbraw/zinc/71/79/14/598717914.db2.gz NZOWXFSRCNXMRI-UHFFFAOYSA-N 1 0 383.481 2.687 20 0 GFADRO CCS[C@@H]1CCCC[N@@H+]([C@H]2CCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)C1 ZINC000736666380 598749300 /nfs/dbraw/zinc/74/93/00/598749300.db2.gz RRJFVYBLMNBJCM-SJORKVTESA-N 1 0 386.525 2.580 20 0 GFADRO COc1ccccc1OCC[NH+]1CCC(Oc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000737151524 598765323 /nfs/dbraw/zinc/76/53/23/598765323.db2.gz FREMKLWBCUTTRI-UHFFFAOYSA-N 1 0 395.463 2.798 20 0 GFADRO C[C@@H](c1ccc(-c2nn[nH]n2)cc1)[N@@H+]1CCN(C[C@H](O)c2ccccc2)[C@H](C)C1 ZINC000736288346 599316768 /nfs/dbraw/zinc/31/67/68/599316768.db2.gz AQQNLKRJTSMTBH-WWMYMODYSA-N 1 0 392.507 2.667 20 0 GFADRO C[C@@H]([NH2+]C1CCN(C(=O)c2ccccc2)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000820414292 599362064 /nfs/dbraw/zinc/36/20/64/599362064.db2.gz XMWDAMIRDACERX-OAHLLOKOSA-N 1 0 376.464 2.822 20 0 GFADRO Cn1cc(CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)Cc2cccc(F)c2)cn1 ZINC000737603299 599364325 /nfs/dbraw/zinc/36/43/25/599364325.db2.gz XSRXUDNYPUQMFJ-UHFFFAOYSA-N 1 0 391.454 2.984 20 0 GFADRO C[C@H]([NH2+]Cc1ccccc1CN1CCCC1=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000820438478 599365335 /nfs/dbraw/zinc/36/53/35/599365335.db2.gz QIKKXNABUCQJAW-HNNXBMFYSA-N 1 0 376.464 2.840 20 0 GFADRO Cc1ccccc1CN(C)C(=O)[C@@H](C)[NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1 ZINC000822355987 599388960 /nfs/dbraw/zinc/38/89/60/599388960.db2.gz FLLYRAUKLIGPOK-JKSUJKDBSA-N 1 0 378.480 2.873 20 0 GFADRO C[C@H](NC(=O)NCCC[N@H+](C)Cc1ccccc1)c1cccc(-c2nn[nH]n2)c1 ZINC000820364499 599404057 /nfs/dbraw/zinc/40/40/57/599404057.db2.gz BTZCKLGNPWHCHE-INIZCTEOSA-N 1 0 393.495 2.749 20 0 GFADRO C[C@H](NC(=O)NCCCC[NH+]1CCC(C)CC1)c1cccc(-c2nn[nH]n2)c1 ZINC000820722912 599417758 /nfs/dbraw/zinc/41/77/58/599417758.db2.gz RIKDAQIUERHRAM-INIZCTEOSA-N 1 0 385.516 2.739 20 0 GFADRO COc1ccc(C[NH2+][C@H]2CCN([C@@H](C)c3ccccc3)C2)cc1-c1nn[nH]n1 ZINC000821804919 599428841 /nfs/dbraw/zinc/42/88/41/599428841.db2.gz QXMCBIKDUPFDBR-YJBOKZPZSA-N 1 0 378.480 2.800 20 0 GFADRO O=C(CC[N@H+]1CC[C@@H](Cc2ccc(F)cc2)C1)Nc1ccccc1-c1nn[nH]n1 ZINC000737838159 599478251 /nfs/dbraw/zinc/47/82/51/599478251.db2.gz JPGUENOYXDZZIG-INIZCTEOSA-N 1 0 394.454 2.899 20 0 GFADRO COc1ccc2ccccc2c1C[NH2+]Cc1cnc2ccc(-c3nn[nH]n3)cn12 ZINC000737119836 599482590 /nfs/dbraw/zinc/48/25/90/599482590.db2.gz HUWJHFCBLZIPES-UHFFFAOYSA-N 1 0 385.431 2.966 20 0 GFADRO CC(C)(C)c1csc(CC[NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)n1 ZINC000735652191 599488185 /nfs/dbraw/zinc/48/81/85/599488185.db2.gz DPEZQFSCISWUTA-UHFFFAOYSA-N 1 0 382.497 2.601 20 0 GFADRO Cc1cc(F)cc2c1ncc(-c1nn[nH]n1)c2NCC[NH+]1Cc2ccccc2C1 ZINC000822204703 599501850 /nfs/dbraw/zinc/50/18/50/599501850.db2.gz YBIAVEIZVVRSHY-UHFFFAOYSA-N 1 0 389.438 2.712 20 0 GFADRO C[C@H](NC(=O)c1ccc(C[NH+]2CCCC2)cc1)c1cccc(-c2nn[nH]n2)c1 ZINC000820397089 599512418 /nfs/dbraw/zinc/51/24/18/599512418.db2.gz LREYXOONBAJALN-HNNXBMFYSA-N 1 0 376.464 2.954 20 0 GFADRO C[C@@H](CNC(=O)c1cccc(Nc2ccc(-c3nn[nH]n3)cc2)c1)[NH+]1CCCC1 ZINC000736025972 599569199 /nfs/dbraw/zinc/56/91/99/599569199.db2.gz KTHMTIFESKLCOB-HNNXBMFYSA-N 1 0 391.479 2.824 20 0 GFADRO C[C@@H]1C[C@H](c2ccccc2F)[N@H+](C[C@H](O)COc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000820668539 599585528 /nfs/dbraw/zinc/58/55/28/599585528.db2.gz UKVXMLFKLHQUBY-PTSWNOGYSA-N 1 0 397.454 2.829 20 0 GFADRO CCO[C@H]1C[C@@H]([N@H+](C)CCC(=O)Nc2cccc(-c3nn[nH]n3)c2)C12CCCC2 ZINC000821359230 599639200 /nfs/dbraw/zinc/63/92/00/599639200.db2.gz MUYWTAKPFZTXAL-MSOLQXFVSA-N 1 0 398.511 2.865 20 0 GFADRO O=C(CC[N@H+](C[C@@H]1CCCO1)C1CCCC1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000822964588 599640782 /nfs/dbraw/zinc/64/07/82/599640782.db2.gz KWHBDPPAQHXRIL-SFHVURJKSA-N 1 0 384.484 2.619 20 0 GFADRO Cc1nc(C(C)(C)[NH2+]CCC(=O)Nc2sccc2-c2nn[nH]n2)sc1C ZINC000822423697 599645608 /nfs/dbraw/zinc/64/56/08/599645608.db2.gz MXAZSWBYKSGFME-UHFFFAOYSA-N 1 0 391.526 2.855 20 0 GFADRO CC[C@H]1Oc2cc([C@H](C)[NH2+]Cc3cccc(-c4nn[nH]n4)c3)ccc2NC1=O ZINC000821000391 599647064 /nfs/dbraw/zinc/64/70/64/599647064.db2.gz DMWCKSWREBNLAZ-YVEFUNNKSA-N 1 0 378.436 2.827 20 0 GFADRO O=C([O-])C[C@H]1CCCC[N@@H+]1CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000650506565 599711371 /nfs/dbraw/zinc/71/13/71/599711371.db2.gz QNEUNJYQMVTKKT-GOSISDBHSA-N 1 0 391.537 2.503 20 0 GFADRO CC(C)(C)OC(=O)N1CC[C@@H]([N@H+](Cc2cccc(-c3nn[nH]n3)c2)C2CC2)C1 ZINC000824103481 607473804 /nfs/dbraw/zinc/47/38/04/607473804.db2.gz BTLFTPCMSSSARN-QGZVFWFLSA-N 1 0 384.484 2.841 20 0 GFADRO C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1F ZINC000824892270 607474174 /nfs/dbraw/zinc/47/41/74/607474174.db2.gz GEDZXZQZBWXBOV-WFASDCNBSA-N 1 0 390.463 2.883 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@@H+]1Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC000824892394 607474650 /nfs/dbraw/zinc/47/46/50/607474650.db2.gz HROUMVOHKZCOFN-TZMCWYRMSA-N 1 0 390.463 2.883 20 0 GFADRO CC[NH+]1CCN(Cc2ccc(NCc3ccc(-c4nn[nH]n4)cc3F)cc2)CC1 ZINC000821276121 607474966 /nfs/dbraw/zinc/47/49/66/607474966.db2.gz HKLUYVADRILNRF-UHFFFAOYSA-N 1 0 395.486 2.755 20 0 GFADRO Fc1cc(-c2nn[nH]n2)ccc1C[NH2+]CCOc1ccc(Br)cc1 ZINC000822744169 607479352 /nfs/dbraw/zinc/47/93/52/607479352.db2.gz NKSHXMKSKBLKSJ-UHFFFAOYSA-N 1 0 392.232 2.937 20 0 GFADRO COc1ccc(C[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCCO3)cc1-c1nn[nH]n1 ZINC000826194914 607482527 /nfs/dbraw/zinc/48/25/27/607482527.db2.gz ZWEFNAADWCGXHM-KRWDZBQOSA-N 1 0 393.447 2.984 20 0 GFADRO O[C@@H]([C@H](Cc1ccccc1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)C(F)(F)F ZINC000823673691 607482993 /nfs/dbraw/zinc/48/29/93/607482993.db2.gz MHXXMCMPMPCZIE-HOTGVXAUSA-N 1 0 395.360 2.630 20 0 GFADRO CCN(Cc1ccnc(-c2nn[nH]n2)c1)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000825439716 607492332 /nfs/dbraw/zinc/49/23/32/607492332.db2.gz LTEUXQJJQOBYBI-QFBILLFUSA-N 1 0 377.496 2.919 20 0 GFADRO C[N@H+](CCCc1cc(-c2cccc(F)c2)n[nH]1)Cc1ccnc(-c2nn[nH]n2)c1 ZINC000825923497 607498388 /nfs/dbraw/zinc/49/83/88/607498388.db2.gz KBGZYKSQOQXCJI-UHFFFAOYSA-N 1 0 392.442 2.856 20 0 GFADRO COc1ccc(CN2CC[C@H]([N@H+](C)Cc3ccccc3)C2)cc1-c1nn[nH]n1 ZINC000826194740 607511402 /nfs/dbraw/zinc/51/14/02/607511402.db2.gz UZIOLWHPRNCQCU-SFHVURJKSA-N 1 0 378.480 2.582 20 0 GFADRO C[NH+](C)Cc1cccc(C(=O)N[C@]2(C(=O)[O-])CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000830620563 601777794 /nfs/dbraw/zinc/77/77/94/601777794.db2.gz WJLHZZKWUGODTN-HSZRJFAPSA-N 1 0 395.503 2.597 20 0 GFADRO COc1ccc(-c2nn[nH]n2)cc1C[NH+]1CCC([C@@H](O)c2ccc(F)cc2)CC1 ZINC000826182787 607526997 /nfs/dbraw/zinc/52/69/97/607526997.db2.gz UKQWYABXXWVGQW-FQEVSTJZSA-N 1 0 397.454 2.960 20 0 GFADRO C[NH+](C)CC1CCC(NC(=O)Nc2ccc(-c3nn[nH]n3)cc2Cl)CC1 ZINC000825860886 607561368 /nfs/dbraw/zinc/56/13/68/607561368.db2.gz ZYQDZVDGZZLXLT-UHFFFAOYSA-N 1 0 377.880 2.762 20 0 GFADRO COc1ccc(-c2nn[nH]n2)cc1CN1CCC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000826183693 607632336 /nfs/dbraw/zinc/63/23/36/607632336.db2.gz XUIOOESAUCTTGM-QGZVFWFLSA-N 1 0 392.507 2.972 20 0 GFADRO CC[NH+]1CCN(Cc2ccc(C[NH2+]Cc3ccc(NC(=O)[O-])nc3)cc2)CC1 ZINC000827222233 603538621 /nfs/dbraw/zinc/53/86/21/603538621.db2.gz HWQMFVDTQUJRQU-UHFFFAOYSA-N 1 0 383.496 2.599 20 0 GFADRO CC(C)(C)c1ccc(C[NH2+]C[C@@H](O)COc2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000824135162 607636023 /nfs/dbraw/zinc/63/60/23/607636023.db2.gz BNERULJPVNLBPC-GOSISDBHSA-N 1 0 381.480 2.694 20 0 GFADRO COc1ccc(-c2nn[nH]n2)cc1CN1CC[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC000826182244 607639083 /nfs/dbraw/zinc/63/90/83/607639083.db2.gz FJIGEQIFZRYKJZ-IBGZPJMESA-N 1 0 378.480 2.582 20 0 GFADRO COc1ccc(-c2nn[nH]n2)cc1C[N@@H+]1CCCC[C@@H]1[C@@H](O)c1ccccc1 ZINC000826183339 607663021 /nfs/dbraw/zinc/66/30/21/607663021.db2.gz MMYHOMKYPSDBDY-QUCCMNQESA-N 1 0 379.464 2.963 20 0 GFADRO C[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)C[C@@H](O)c1ccccc1Br ZINC000825958482 607687009 /nfs/dbraw/zinc/68/70/09/607687009.db2.gz YBDJAALCCGHEOG-MRXNPFEDSA-N 1 0 388.269 2.795 20 0 GFADRO Fc1ccc(/C=C/C[NH2+]C2CCN(c3ccc(-c4nn[nH]n4)cn3)CC2)cc1 ZINC000826374332 607700928 /nfs/dbraw/zinc/70/09/28/607700928.db2.gz VREWDSUHFBVDFP-OWOJBTEDSA-N 1 0 379.443 2.673 20 0 GFADRO Cc1cc(-c2nn[nH]n2)ccc1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000826248035 607702111 /nfs/dbraw/zinc/70/21/11/607702111.db2.gz UNMDNEYCYLXINS-UZLBHIALSA-N 1 0 390.491 2.816 20 0 GFADRO Cc1cc(-c2nn[nH]n2)ccc1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000826248033 607702464 /nfs/dbraw/zinc/70/24/64/607702464.db2.gz UNMDNEYCYLXINS-OXJNMPFZSA-N 1 0 390.491 2.816 20 0 GFADRO C[C@H]1C[C@H](CNC(=O)OC(C)(C)C)C[N@@H+]1Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC000824883370 607750085 /nfs/dbraw/zinc/75/00/85/607750085.db2.gz GSXRJRMCFQYSRZ-GXTWGEPZSA-N 1 0 390.463 2.741 20 0 GFADRO CN(C(=O)c1sccc1-c1nn[nH]n1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000821574788 606034446 /nfs/dbraw/zinc/03/44/46/606034446.db2.gz XGBQTWJQELAXSR-HNNXBMFYSA-N 1 0 382.493 2.665 20 0 GFADRO CC1(C)CCC[C@@H]1NC(=O)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000820590294 606130787 /nfs/dbraw/zinc/13/07/87/606130787.db2.gz RMASDGQYTYGSSG-SFHVURJKSA-N 1 0 397.527 2.663 20 0 GFADRO C[C@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000820722588 606153895 /nfs/dbraw/zinc/15/38/95/606153895.db2.gz KGXGWNFBKJCACQ-INIZCTEOSA-N 1 0 391.479 2.995 20 0 GFADRO CC[C@H](C)[C@@H](C)[N@H+](CCS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)C1CC1 ZINC000820859469 606187130 /nfs/dbraw/zinc/18/71/30/606187130.db2.gz DXSQYUHQYRXNIP-UONOGXRCSA-N 1 0 377.514 2.539 20 0 GFADRO COc1ccccc1[C@@H](C[NH2+]Cc1cc(-c2nn[nH]n2)cs1)N1CCCC1 ZINC000821882902 606207319 /nfs/dbraw/zinc/20/73/19/606207319.db2.gz NCGWQZWVMOVURA-QGZVFWFLSA-N 1 0 384.509 2.864 20 0 GFADRO O=C(C[NH2+]Cc1cc(-c2nn[nH]n2)cs1)Nc1cc(Cl)ccc1Cl ZINC000823005506 606207768 /nfs/dbraw/zinc/20/77/68/606207768.db2.gz UQZNGKAOCVXXDN-UHFFFAOYSA-N 1 0 383.264 2.963 20 0 GFADRO O=C(CCc1ccccc1)N1CCC([NH2+]Cc2cc(-c3nn[nH]n3)cs2)CC1 ZINC000822983769 606211855 /nfs/dbraw/zinc/21/18/55/606211855.db2.gz UGIJGDWRWLQOPV-UHFFFAOYSA-N 1 0 396.520 2.642 20 0 GFADRO COc1ccc(CC[NH2+]Cc2cc(-c3nn[nH]n3)cs2)cc1OC(F)F ZINC000821791017 606216093 /nfs/dbraw/zinc/21/60/93/606216093.db2.gz ZHERNVXPKCPNDN-UHFFFAOYSA-N 1 0 381.408 2.871 20 0 GFADRO CC(C)C[C@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)[NH2+][C@@H](C)c1ccccc1 ZINC000820057362 606272524 /nfs/dbraw/zinc/27/25/24/606272524.db2.gz ZCKDGVZMCYSQJD-WMLDXEAASA-N 1 0 381.484 2.690 20 0 GFADRO CCN(C(=O)c1cc(-c2nn[nH]n2)cn1C)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000821154823 606281106 /nfs/dbraw/zinc/28/11/06/606281106.db2.gz SIPWCDGPUPFVFA-CRAIPNDOSA-N 1 0 393.495 2.503 20 0 GFADRO O=C1[C@H]([NH+]2CCC(c3ccccc3)CC2)CCN1c1sccc1-c1nn[nH]n1 ZINC000823504235 606317209 /nfs/dbraw/zinc/31/72/09/606317209.db2.gz NKGTXDLHJNSBKS-QGZVFWFLSA-N 1 0 394.504 2.913 20 0 GFADRO C[C@@H]1[C@@H](c2ccccc2)CC[N@@H+]1[C@@H]1CCN(c2sccc2-c2nn[nH]n2)C1=O ZINC000820641611 606337355 /nfs/dbraw/zinc/33/73/55/606337355.db2.gz DMRDUBTUEBSLGD-UKPHBRMFSA-N 1 0 394.504 2.912 20 0 GFADRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)Nc2ccc(F)cc2-c2nn[nH]n2)C1 ZINC000820570161 606346999 /nfs/dbraw/zinc/34/69/99/606346999.db2.gz DXWIARJYIWGYAR-CZUORRHYSA-N 1 0 395.442 2.963 20 0 GFADRO c1ccc(C[NH+]2CCC(OCCCNc3ccc(-c4nn[nH]n4)cn3)CC2)cc1 ZINC000823780391 606403149 /nfs/dbraw/zinc/40/31/49/606403149.db2.gz SIEDYMOHHWFHGB-UHFFFAOYSA-N 1 0 393.495 2.745 20 0 GFADRO Cc1nc(CN2CCC(C[NH2+]Cc3ccc(-c4nn[nH]n4)s3)CC2)oc1C ZINC000822441095 606418584 /nfs/dbraw/zinc/41/85/84/606418584.db2.gz SQSACQXPYYEHFM-UHFFFAOYSA-N 1 0 387.513 2.535 20 0 GFADRO C[C@H]([NH2+]CCOc1ccc(-c2nn[nH]n2)cc1)c1ccccc1-n1cccn1 ZINC000820421023 606428734 /nfs/dbraw/zinc/42/87/34/606428734.db2.gz ZRILGMODPSTNBC-HNNXBMFYSA-N 1 0 375.436 2.782 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)Cc2ccc(-c3nn[nH]n3)cc2OC(F)F)[C@@H](C)C1 ZINC000821255132 606500040 /nfs/dbraw/zinc/50/00/40/606500040.db2.gz VIUYVICJQGMVRI-WFASDCNBSA-N 1 0 380.443 2.630 20 0 GFADRO CC[NH+](CC)CCOc1ccc(NC(=O)c2ccc(-c3nn[nH]n3)s2)cc1 ZINC000821188747 606500125 /nfs/dbraw/zinc/50/01/25/606500125.db2.gz CFEJBFCEBDDNMG-UHFFFAOYSA-N 1 0 386.481 2.901 20 0 GFADRO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@H+]2CCC[C@@H]2C)c1-c1nn[nH]n1 ZINC000822015131 606504284 /nfs/dbraw/zinc/50/42/84/606504284.db2.gz DKYIHYWLQKYSGM-ZDUSSCGKSA-N 1 0 379.468 2.697 20 0 GFADRO Cc1c(C)n(C2CCCC2)c(NC(=O)C[NH+]2C[C@@H](C)[C@H](C)C2)c1-c1nn[nH]n1 ZINC000822015667 606504555 /nfs/dbraw/zinc/50/45/55/606504555.db2.gz NDOFDNWHUMRUNW-CHWSQXEVSA-N 1 0 385.516 2.926 20 0 GFADRO Cc1nccn1C[C@@H]1CCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1OC(F)F ZINC000822476932 606521469 /nfs/dbraw/zinc/52/14/69/606521469.db2.gz AJUJQCZUPOAUGO-HNNXBMFYSA-N 1 0 389.410 2.638 20 0 GFADRO COc1cc(-c2nn[nH]n2)ccc1OCC[N@@H+]1CCS[C@@H]2CCCC[C@@H]21 ZINC000821702518 606525637 /nfs/dbraw/zinc/52/56/37/606525637.db2.gz WBOYGDLJTBVNCK-WMLDXEAASA-N 1 0 375.498 2.614 20 0 GFADRO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000821065312 606676689 /nfs/dbraw/zinc/67/66/89/606676689.db2.gz HZRFQYPHCNEQLL-ZDUSSCGKSA-N 1 0 378.427 2.529 20 0 GFADRO COC(=O)[C@@H]1C[N@H+](Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)C[C@@H]1C ZINC000821657080 606716391 /nfs/dbraw/zinc/71/63/91/606716391.db2.gz GVNBEBZGWIFYSH-IFXJQAMLSA-N 1 0 377.448 2.775 20 0 GFADRO NC(=O)[C@@H]([NH2+]CCc1cccc(-c2ccccc2)c1)c1ccc(-c2nn[nH]n2)cc1 ZINC000822850736 606717198 /nfs/dbraw/zinc/71/71/98/606717198.db2.gz PFQZREJMBQNNTA-NRFANRHFSA-N 1 0 398.470 2.892 20 0 GFADRO c1ccc2sc(N3CC[NH+](Cc4ccccc4-c4nn[nH]n4)CC3)nc2c1 ZINC000823771612 606746453 /nfs/dbraw/zinc/74/64/53/606746453.db2.gz AYJCHNFIMILLBX-UHFFFAOYSA-N 1 0 377.477 2.799 20 0 GFADRO C[C@@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@@H+]1Cc1ccc2ccccc2c1 ZINC000820804503 606778441 /nfs/dbraw/zinc/77/84/41/606778441.db2.gz TXHJWGMCELNSGU-OAHLLOKOSA-N 1 0 386.463 2.521 20 0 GFADRO Cc1ccc(C)c([C@H]2CCC[N@@H+]2CC(=O)NCc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000822230974 606795582 /nfs/dbraw/zinc/79/55/82/606795582.db2.gz WPKHHPTYZGBUNR-HXUWFJFHSA-N 1 0 390.491 2.937 20 0 GFADRO Cc1ccc(-c2nn[nH]n2)cc1NC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000822217722 606806494 /nfs/dbraw/zinc/80/64/94/606806494.db2.gz LURGWNSBWFLWJY-SFHVURJKSA-N 1 0 391.479 2.913 20 0 GFADRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)C1 ZINC000820093031 606832749 /nfs/dbraw/zinc/83/27/49/606832749.db2.gz RSAHRKRZZRWGBW-GFCCVEGCSA-N 1 0 377.880 2.620 20 0 GFADRO Cc1nc(C2CC[NH+](C[C@H](O)c3ccc(-c4nn[nH]n4)cc3)CC2)sc1C ZINC000822435688 606859677 /nfs/dbraw/zinc/85/96/77/606859677.db2.gz ACWDUUJRYODMMK-KRWDZBQOSA-N 1 0 384.509 2.853 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)CCc2ccc(-c3nn[nH]n3)cc2)C[N@@H+]1Cc1ccccc1 ZINC000820658036 606904248 /nfs/dbraw/zinc/90/42/48/606904248.db2.gz OSVPCICNRNDFCJ-OXQOHEQNSA-N 1 0 390.491 2.579 20 0 GFADRO CCc1nnc(NC[C@H](c2ccc(F)cc2)[NH+](C)C)c(-c2nn[nH]n2)c1CC ZINC000821536206 606911183 /nfs/dbraw/zinc/91/11/83/606911183.db2.gz SLKCCTBTHZHVDD-MRXNPFEDSA-N 1 0 384.463 2.635 20 0 GFADRO CC[C@H]1CN(C)c2ccccc2C[N@@H+]1C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000820995545 606911437 /nfs/dbraw/zinc/91/14/37/606911437.db2.gz TZZSPVHQYGFKEG-AZUAARDMSA-N 1 0 378.480 2.631 20 0 GFADRO COC(=O)c1ccc(C[N@H+](C)CCCOc2cccc(-c3nn[nH]n3)c2)cc1 ZINC000821668687 606919177 /nfs/dbraw/zinc/91/91/77/606919177.db2.gz DQKCCFUGXFQOLM-UHFFFAOYSA-N 1 0 381.436 2.554 20 0 GFADRO Cn1c2ccccc2nc1[C@H]1CCC[N@@H+]1C[C@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000822596456 606929045 /nfs/dbraw/zinc/92/90/45/606929045.db2.gz KFOTWINODDQUSA-MOPGFXCFSA-N 1 0 389.463 2.624 20 0 GFADRO CCc1nnc(N2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)c(-c2nn[nH]n2)c1CC ZINC000821522182 606935291 /nfs/dbraw/zinc/93/52/91/606935291.db2.gz KEXFZHKNPUTEGW-HOTGVXAUSA-N 1 0 398.559 2.872 20 0 GFADRO O=C(NC[C@H]1CCC[N@@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C1)c1ccccc1 ZINC000823175826 606979505 /nfs/dbraw/zinc/97/95/05/606979505.db2.gz NBVQGEUGGNNWBW-MRXNPFEDSA-N 1 0 394.454 2.648 20 0 GFADRO CCCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)N[C@@H](CC)C[NH+]1CCCC1 ZINC000821104992 606987072 /nfs/dbraw/zinc/98/70/72/606987072.db2.gz UPPVJEJZWJRFBG-SFHVURJKSA-N 1 0 385.516 2.663 20 0 GFADRO OC[C@@H]([NH2+]Cc1ccc(-c2nn[nH]n2)s1)c1cccc(Br)c1 ZINC000823707264 607010368 /nfs/dbraw/zinc/01/03/68/607010368.db2.gz YDQNJDXFFQNKQR-GFCCVEGCSA-N 1 0 380.271 2.514 20 0 GFADRO C[C@@H]([NH2+][C@@H](C)CC(=O)NCCc1ccccc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000820226336 607014778 /nfs/dbraw/zinc/01/47/78/607014778.db2.gz UXNSYGFNGFPREN-JKSUJKDBSA-N 1 0 378.480 2.655 20 0 GFADRO C[C@H]([NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)c1ccc(N2CCOC2=O)cc1 ZINC000820427582 607055391 /nfs/dbraw/zinc/05/53/91/607055391.db2.gz TZIHARHHVGRERH-LBPRGKRZSA-N 1 0 382.399 2.813 20 0 GFADRO CC[N@H+](Cc1ccc(C(=O)N(C)C)cc1)Cc1cc(F)ccc1-c1nn[nH]n1 ZINC000821222392 607062066 /nfs/dbraw/zinc/06/20/66/607062066.db2.gz QRGHSURWFGTVMB-UHFFFAOYSA-N 1 0 382.443 2.730 20 0 GFADRO C[C@@H]([NH2+][C@@H](C)CC(=O)NCCc1ccccc1)c1cccc(-c2nn[nH]n2)c1 ZINC000820225101 607089250 /nfs/dbraw/zinc/08/92/50/607089250.db2.gz AQQABGBIBJGSKB-JKSUJKDBSA-N 1 0 378.480 2.655 20 0 GFADRO CSC[C@@H]1CCC[N@@H+]1CCC(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2 ZINC000821961567 607148600 /nfs/dbraw/zinc/14/86/00/607148600.db2.gz KJZOPFDDIFFZJH-NSHDSACASA-N 1 0 392.554 2.573 20 0 GFADRO c1ccc(-c2ccc(C[N@@H+]3CCOC4(CCOCC4)C3)cc2)c(-c2nn[nH]n2)c1 ZINC000823767697 607150916 /nfs/dbraw/zinc/15/09/16/607150916.db2.gz VTKSOVQXRISOCI-UHFFFAOYSA-N 1 0 391.475 2.915 20 0 GFADRO CC1(c2ccccc2)CCC([NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)CC1 ZINC000820633407 607151208 /nfs/dbraw/zinc/15/12/08/607151208.db2.gz BCNWKGDDJNNPFU-FPPRHVDESA-N 1 0 392.511 2.595 20 0 GFADRO OC[C@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)Cc1ccccc1C(F)(F)F ZINC000823705979 607230094 /nfs/dbraw/zinc/23/00/94/607230094.db2.gz JRJKDBDFENUQGX-AWEZNQCLSA-N 1 0 391.397 2.826 20 0 GFADRO CC[N@@H+]1CCN(C(=O)c2ccccc2-c2ccccc2-c2nn[nH]n2)C[C@@H]1C ZINC000825460336 607825055 /nfs/dbraw/zinc/82/50/55/607825055.db2.gz UCZRBTJOQOORHK-HNNXBMFYSA-N 1 0 376.464 2.700 20 0 GFADRO C[NH+](C)CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)[C@@H]1CCCC(C)(C)C1 ZINC000825865556 607888248 /nfs/dbraw/zinc/88/82/48/607888248.db2.gz FUNRZUGCIFIPOW-GOSISDBHSA-N 1 0 384.528 2.973 20 0 GFADRO C[C@H](NC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1)c1cccc(-c2nn[nH]n2)c1 ZINC000824499873 607980014 /nfs/dbraw/zinc/98/00/14/607980014.db2.gz RSHPVLCYMUNBRC-JVPBZIDWSA-N 1 0 391.479 2.672 20 0 GFADRO C[C@H](NC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1)c1cccc(-c2nn[nH]n2)c1 ZINC000824499874 607980084 /nfs/dbraw/zinc/98/00/84/607980084.db2.gz RSHPVLCYMUNBRC-KYNGSXCRSA-N 1 0 391.479 2.672 20 0 GFADRO FC(F)(F)c1cc(NC2CC[NH+]([C@H]3CCOC3)CC2)ccc1-c1nn[nH]n1 ZINC000826368199 608016268 /nfs/dbraw/zinc/01/62/68/608016268.db2.gz GLIHCYINELQNDG-ZDUSSCGKSA-N 1 0 382.390 2.551 20 0 GFADRO Cc1cnn(CCCCC[N@@H+]2CCO[C@@H](c3cccc(-c4nn[nH]n4)c3)C2)c1 ZINC000826320447 608071803 /nfs/dbraw/zinc/07/18/03/608071803.db2.gz REIXIVSUEZLASQ-LJQANCHMSA-N 1 0 381.484 2.615 20 0 GFADRO CN1CC[N@H+](CCCOc2ccc(-c3nn[nH]n3)cc2)[C@H](c2ccccc2)C1 ZINC000826038869 608079183 /nfs/dbraw/zinc/07/91/83/608079183.db2.gz ZPGNNIKNAYBKPW-FQEVSTJZSA-N 1 0 378.480 2.624 20 0 GFADRO O=C1[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CCN1c1ccc(Cl)c(F)c1 ZINC000826477134 608110581 /nfs/dbraw/zinc/11/05/81/608110581.db2.gz WJSSJXVWJGEOJK-MRXNPFEDSA-N 1 0 386.818 2.554 20 0 GFADRO CC[NH+]1CCN(c2ccccc2NCc2ccc(OC)c(-c3nn[nH]n3)c2)CC1 ZINC000825465297 608112271 /nfs/dbraw/zinc/11/22/71/608112271.db2.gz JZSWXMFVQSQNCD-UHFFFAOYSA-N 1 0 393.495 2.629 20 0 GFADRO COc1ccc(CN2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)cc1Cl ZINC000826195505 608123704 /nfs/dbraw/zinc/12/37/04/608123704.db2.gz WQUGZGPUHFBVKK-UHFFFAOYSA-N 1 0 398.898 2.847 20 0 GFADRO O=C(N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)c1ccc(-c2nn[nH]n2)cc1 ZINC000826429574 608135031 /nfs/dbraw/zinc/13/50/31/608135031.db2.gz HJNRPUVAUAOGIJ-XUVXKRRUSA-N 1 0 388.475 2.507 20 0 GFADRO C[C@@H]1C[C@H](CC[NH2+]Cc2cn(C)nc2-c2ccc(-c3nn[nH]n3)cc2)CCO1 ZINC000824883707 608135550 /nfs/dbraw/zinc/13/55/50/608135550.db2.gz IUVYUVGUDYXIAD-HUUCEWRRSA-N 1 0 381.484 2.562 20 0 GFADRO Cc1cccc(C2=CC[N@H+](C[C@H](O)COc3ccc(-c4nn[nH]n4)cc3)CC2)c1 ZINC000826297892 608209686 /nfs/dbraw/zinc/20/96/86/608209686.db2.gz WFTCCRGODBOURV-FQEVSTJZSA-N 1 0 391.475 2.704 20 0 GFADRO COc1ccccc1NC(=O)C[C@H](C)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC000826220166 608285413 /nfs/dbraw/zinc/28/54/13/608285413.db2.gz DTTQIGMPLIDFTO-LBPRGKRZSA-N 1 0 384.415 2.521 20 0 GFADRO c1cn(C[N@H+]2CCC[C@@H](C[C@H]3CCOC3)C2)nc1-c1ccc(-c2nn[nH]n2)cc1 ZINC000826513258 608299006 /nfs/dbraw/zinc/29/90/06/608299006.db2.gz GBYGSXHDHBXYNY-DLBZAZTESA-N 1 0 393.495 2.826 20 0 GFADRO Cc1nn(-c2ccccc2)c(C[N@@H+]2CC[C@H](C3CCOCC3)C2)c1-c1nn[nH]n1 ZINC000826332265 608318545 /nfs/dbraw/zinc/31/85/45/608318545.db2.gz OXKXXINUWXGSMY-KRWDZBQOSA-N 1 0 393.495 2.609 20 0 GFADRO COc1cc(-c2nn[nH]n2)ccc1CN1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000826168983 608362706 /nfs/dbraw/zinc/36/27/06/608362706.db2.gz DTFSHHADSURGBI-IAGOWNOFSA-N 1 0 384.528 2.962 20 0 GFADRO COc1ccc(C[N@@H+]2CC[C@@](O)(Cc3cccc(Cl)c3)C2)cc1-c1nn[nH]n1 ZINC000826194723 608379079 /nfs/dbraw/zinc/37/90/79/608379079.db2.gz UIDHZASAHKMGTE-HXUWFJFHSA-N 1 0 399.882 2.708 20 0 GFADRO O[C@@]1(Cc2cccc(Cl)c2)CC[N@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC000826505956 608380036 /nfs/dbraw/zinc/38/00/36/608380036.db2.gz JCGBQIXHAAHKJS-LJQANCHMSA-N 1 0 387.846 2.839 20 0 GFADRO C[C@@H]([NH2+]CCCOc1ccc(-c2nn[nH]n2)cc1)c1ccc(-n2cncn2)cc1 ZINC000824590329 608427457 /nfs/dbraw/zinc/42/74/57/608427457.db2.gz BKBBDDWMLIHBAN-OAHLLOKOSA-N 1 0 390.451 2.567 20 0 GFADRO OC[C@@H]([NH2+]Cc1cc(-c2nn[nH]n2)cs1)c1ccc(Br)cc1 ZINC000826508678 608451871 /nfs/dbraw/zinc/45/18/71/608451871.db2.gz YMTZBKZECXJGLW-CYBMUJFWSA-N 1 0 380.271 2.514 20 0 GFADRO COc1cc([C@@H](C)[NH2+][C@H](C)c2ccc(-c3nn[nH]n3)cc2)ccc1OCCO ZINC000826177285 608470857 /nfs/dbraw/zinc/47/08/57/608470857.db2.gz BKMZKJGAVYGKJC-ZIAGYGMSSA-N 1 0 383.452 2.658 20 0 GFADRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)c1cccc(O)c1 ZINC000824533117 608475921 /nfs/dbraw/zinc/47/59/21/608475921.db2.gz ZBMKDDPDNKYOPV-MNOVXSKESA-N 1 0 386.843 2.904 20 0 GFADRO C[C@H](C(=O)N1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1)[NH+]1CCCCCC1 ZINC000824040957 608484377 /nfs/dbraw/zinc/48/43/77/608484377.db2.gz VSDVVBNTNVJUCT-MRXNPFEDSA-N 1 0 380.496 2.747 20 0 GFADRO C[C@H]([NH2+]CC(=O)Nc1nc2ccc(F)cc2s1)c1cccc(-c2nn[nH]n2)c1 ZINC000824562300 608486951 /nfs/dbraw/zinc/48/69/51/608486951.db2.gz FBHOIKPRSFFLMM-JTQLQIEISA-N 1 0 397.439 2.905 20 0 GFADRO COc1ccccc1/C=C/CN1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826218400 608503013 /nfs/dbraw/zinc/50/30/13/608503013.db2.gz AUUSAMUPLGQXMG-GQCTYLIASA-N 1 0 390.491 2.706 20 0 GFADRO Cc1cccc(OC[C@H](O)C[NH2+][C@H]2CCCc3cc(-c4nn[nH]n4)ccc32)c1 ZINC000826300156 608504242 /nfs/dbraw/zinc/50/42/42/608504242.db2.gz KTKZYOUHWPNJSF-XLIONFOSSA-N 1 0 379.464 2.582 20 0 GFADRO COc1cc(C[NH2+][C@@H]2CCCc3cc(-c4nn[nH]n4)ccc32)cc(OC)c1O ZINC000826179501 608507109 /nfs/dbraw/zinc/50/71/09/608507109.db2.gz QPKNZWYMQPKOMD-MRXNPFEDSA-N 1 0 381.436 2.757 20 0 GFADRO Cc1cc2cc(C[NH+]3CCN(c4cc(-c5nn[nH]n5)ccn4)CC3)oc2cc1C ZINC000826273026 608513601 /nfs/dbraw/zinc/51/36/01/608513601.db2.gz MGEXOEONXOZJJQ-UHFFFAOYSA-N 1 0 389.463 2.947 20 0 GFADRO CS(=O)(=O)Cc1ccccc1C[NH2+][C@@H]1CCCc2cc(-c3nn[nH]n3)ccc21 ZINC000826222577 608516414 /nfs/dbraw/zinc/51/64/14/608516414.db2.gz CKTDJBSGRNQFAT-LJQANCHMSA-N 1 0 397.504 2.579 20 0 GFADRO O=C(NCCC[NH2+][C@H]1CCCc2cc(-c3nn[nH]n3)ccc21)c1ccc(F)cc1 ZINC000826437027 608520642 /nfs/dbraw/zinc/52/06/42/608520642.db2.gz SWMFURZQNGQHLX-IBGZPJMESA-N 1 0 394.454 2.793 20 0 GFADRO O=C(CC[NH2+][C@@H](c1ccccc1)[C@H]1CCOC1)Nc1sccc1-c1nn[nH]n1 ZINC000826407093 608526784 /nfs/dbraw/zinc/52/67/84/608526784.db2.gz ASGZUCIUAZQNAD-YOEHRIQHSA-N 1 0 398.492 2.624 20 0 GFADRO Cc1cccc([C@H](C)[NH2+]CCS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)c1C ZINC000826295841 608533667 /nfs/dbraw/zinc/53/36/67/608533667.db2.gz AFEMHIWCSRTGBM-HNNXBMFYSA-N 1 0 385.493 2.608 20 0 GFADRO Cc1oc(NC(=O)C[NH2+]C(C)(C)c2ccc(F)c(F)c2)c(-c2nn[nH]n2)c1C ZINC000826341483 608551137 /nfs/dbraw/zinc/55/11/37/608551137.db2.gz IVELXAWDQNPXDN-UHFFFAOYSA-N 1 0 390.394 2.818 20 0 GFADRO CN1C(=O)C[C@H]([NH2+]Cc2cc(-c3nn[nH]n3)cs2)[C@H]1c1ccc(Cl)cc1 ZINC000826011009 608568800 /nfs/dbraw/zinc/56/88/00/608568800.db2.gz UDQCIVWMWBCGDI-GOEBONIOSA-N 1 0 388.884 2.643 20 0 GFADRO CC[NH+](CC)CCN(CC(C)C)C(=O)c1ccc(Cl)c(-c2nn[nH]n2)c1 ZINC000825412139 608575119 /nfs/dbraw/zinc/57/51/19/608575119.db2.gz LWCCATFATJEIJQ-UHFFFAOYSA-N 1 0 378.908 2.960 20 0 GFADRO C[C@@H]1CCc2c(F)cccc2[C@H]1[NH2+]C[C@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000824966807 608577949 /nfs/dbraw/zinc/57/79/49/608577949.db2.gz DYGLWEGIDHXNNL-AFBRZQFHSA-N 1 0 397.454 2.659 20 0 GFADRO CC(=O)Nc1ccccc1C[NH+]1CCC(Oc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000824005533 608602584 /nfs/dbraw/zinc/60/25/84/608602584.db2.gz WRZVJCREEROHMA-UHFFFAOYSA-N 1 0 392.463 2.869 20 0 GFADRO COc1cccc(C[C@H]2CCC[N@@H+]2Cc2cnc3ccc(-c4nn[nH]n4)cn23)c1 ZINC000826216192 608615556 /nfs/dbraw/zinc/61/55/56/608615556.db2.gz OAIYMBBYHBYQBV-QGZVFWFLSA-N 1 0 389.463 2.730 20 0 GFADRO C[NH+](C)CCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)N[C@H]1CCC(C)(C)C1 ZINC000825865419 608623883 /nfs/dbraw/zinc/62/38/83/608623883.db2.gz DIGJVZMCYQDBBV-KRWDZBQOSA-N 1 0 385.516 2.519 20 0 GFADRO COC(=O)[C@@H](C)C[N@H+](Cc1ccccc1)Cc1cccc(-c2nn[nH]n2)c1F ZINC000826103868 608647935 /nfs/dbraw/zinc/64/79/35/608647935.db2.gz MRRZTMTVMUOIAE-AWEZNQCLSA-N 1 0 383.427 2.817 20 0 GFADRO Cc1ccc(C(=O)NC2CC[NH+](Cc3ccc(-c4nn[nH]n4)s3)CC2)s1 ZINC000826281934 608654774 /nfs/dbraw/zinc/65/47/74/608654774.db2.gz PWSUOOIMHMQVCS-UHFFFAOYSA-N 1 0 388.522 2.693 20 0 GFADRO Cc1csc([C@@H]2CCC[N@H+](Cc3cnc4ccc(-c5nn[nH]n5)cn34)C2)n1 ZINC000826320012 608664698 /nfs/dbraw/zinc/66/46/98/608664698.db2.gz CLZMVODHCXIADC-CQSZACIVSA-N 1 0 380.481 2.659 20 0 GFADRO C[N@@H+](Cc1cccc(OCc2ccccc2-c2nn[nH]n2)c1)C[C@@H]1CCOC1 ZINC000825981859 608743168 /nfs/dbraw/zinc/74/31/68/608743168.db2.gz YWIJBLJTCNFMAX-KRWDZBQOSA-N 1 0 379.464 2.914 20 0 GFADRO COc1ccccc1[C@H](CNc1cnccc1-c1nn[nH]n1)[NH+]1CCCCC1 ZINC000826219360 608777853 /nfs/dbraw/zinc/77/78/53/608777853.db2.gz ZNJWEQTVAJQEEH-SFHVURJKSA-N 1 0 379.468 2.909 20 0 GFADRO C[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)C[N@@H+]1Cc1ccc(-c2nn[nH]n2)s1 ZINC000824884339 608845845 /nfs/dbraw/zinc/84/58/45/608845845.db2.gz NLAYMGQTIYLYSJ-RYUDHWBXSA-N 1 0 378.502 2.663 20 0 GFADRO O[C@@H]1C[C@H](c2ccc(C(F)(F)F)cc2)[N@H+](Cc2ccc(-c3nn[nH]n3)o2)C1 ZINC000826506118 608852367 /nfs/dbraw/zinc/85/23/67/608852367.db2.gz NBTOYSMJBHAVGP-TZMCWYRMSA-N 1 0 379.342 2.786 20 0 GFADRO C[C@H]([NH2+][C@@H](CC(=O)N(C)C)c1ccccc1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824528816 609134713 /nfs/dbraw/zinc/13/47/13/609134713.db2.gz CMBNJJNWHCKUPI-UGSOOPFHSA-N 1 0 382.443 2.876 20 0 GFADRO C[C@H]([NH2+][C@@H](C)c1ccc(-c2nn[nH]n2)c(F)c1)c1ccc(S(C)(=O)=O)cc1 ZINC000824533104 609136090 /nfs/dbraw/zinc/13/60/90/609136090.db2.gz YZOJPTGBYHBPRR-RYUDHWBXSA-N 1 0 389.456 2.821 20 0 GFADRO C[C@H]([NH2+]CCc1cccc(C(=O)N(C)C)c1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824607330 609146254 /nfs/dbraw/zinc/14/62/54/609146254.db2.gz XIMAVOANGQTUKC-ZDUSSCGKSA-N 1 0 382.443 2.601 20 0 GFADRO C[C@@H]([NH2+]CC(C)(C)NC(=O)OC(C)(C)C)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824573457 609149685 /nfs/dbraw/zinc/14/96/85/609149685.db2.gz ZJZRCGBHTPUEEC-LLVKDONJSA-N 1 0 378.452 2.960 20 0 GFADRO COc1cc(OC)cc(OCC[NH2+][C@H](C)c2ccc(-c3nn[nH]n3)c(F)c2)c1 ZINC000826181218 609153422 /nfs/dbraw/zinc/15/34/22/609153422.db2.gz PZJGFOYTHZUULS-GFCCVEGCSA-N 1 0 387.415 2.753 20 0 GFADRO CC[C@@H]1C[C@H](C[N@@H+]2CCCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)CCO1 ZINC000825184673 609170204 /nfs/dbraw/zinc/17/02/04/609170204.db2.gz XTDQZRRSHAWFDO-UYAOXDASSA-N 1 0 384.528 2.580 20 0 GFADRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC000824876125 609197940 /nfs/dbraw/zinc/19/79/40/609197940.db2.gz QHIRCMKLMSJIAE-HUUCEWRRSA-N 1 0 393.495 2.603 20 0 GFADRO O=c1cc(C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C2CC2)c2ccc(O)cc2o1 ZINC000826501972 609270387 /nfs/dbraw/zinc/27/03/87/609270387.db2.gz OOQSHOUSFRWUBE-UHFFFAOYSA-N 1 0 389.415 2.843 20 0 GFADRO C[C@H](NC(=O)C=Cc1ccccc1-c1nn[nH]n1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000824477605 609286853 /nfs/dbraw/zinc/28/68/53/609286853.db2.gz APXBHQPHPIBDNT-ATOWBYMVSA-N 1 0 380.496 2.649 20 0 GFADRO COc1cccc([C@@H](C[NH2+][C@@H](C)c2ccc(-c3nn[nH]n3)cc2F)N(C)C)c1 ZINC000826214684 609322546 /nfs/dbraw/zinc/32/25/46/609322546.db2.gz TWDVEHJPGKSWIF-ORAYPTAESA-N 1 0 384.459 2.968 20 0 GFADRO C[C@@H]([NH2+]C[C@@H]1CN(Cc2ccccc2)CCO1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824584531 609322939 /nfs/dbraw/zinc/32/29/39/609322939.db2.gz BUSYRLIOCYDZMV-CRAIPNDOSA-N 1 0 396.470 2.557 20 0 GFADRO C[C@H]([NH2+]CC(C)(C)NC(=O)OC(C)(C)C)c1ccc(-c2nn[nH]n2)cc1F ZINC000824570651 609338668 /nfs/dbraw/zinc/33/86/68/609338668.db2.gz OFDHDECSBVHVNR-NSHDSACASA-N 1 0 378.452 2.960 20 0 GFADRO CC(C)[C@H]1C[C@H]([NH2+]Cc2cn(C)nc2-c2ccc(-c3nn[nH]n3)cc2)CCO1 ZINC000824216514 609344284 /nfs/dbraw/zinc/34/42/84/609344284.db2.gz SRCNSZLJRXXAGD-QZTJIDSGSA-N 1 0 381.484 2.560 20 0 GFADRO Cn1cc(C[NH2+]Cc2ccc(Cl)cn2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826361848 609345002 /nfs/dbraw/zinc/34/50/02/609345002.db2.gz RTBMJYDMUSHBTA-UHFFFAOYSA-N 1 0 380.843 2.605 20 0 GFADRO CC[C@@H](C(=O)OCc1ccc(-c2nn[nH]n2)cc1Br)[NH+](CC)CC ZINC000825039843 609345835 /nfs/dbraw/zinc/34/58/35/609345835.db2.gz XGGOLSHECCCQBH-AWEZNQCLSA-N 1 0 396.289 2.793 20 0 GFADRO C[NH+](C)C(C)(C)CNC(=O)c1ccccc1Oc1ccccc1-c1nn[nH]n1 ZINC000825850720 609364017 /nfs/dbraw/zinc/36/40/17/609364017.db2.gz RFOFRWYKUJQCAS-UHFFFAOYSA-N 1 0 380.452 2.729 20 0 GFADRO C[C@@H]([NH2+][C@H](C)c1ccc(-c2cccc(-c3nn[nH]n3)c2)cc1)C(=O)NC1CC1 ZINC000824532681 609449716 /nfs/dbraw/zinc/44/97/16/609449716.db2.gz WJWWLJWIOPETJK-ZIAGYGMSSA-N 1 0 376.464 2.851 20 0 GFADRO C[C@@H](NC(=O)c1sccc1-c1nn[nH]n1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000824522710 609456447 /nfs/dbraw/zinc/45/64/47/609456447.db2.gz USHFVBDVQPMRGT-HIFRSBDPSA-N 1 0 382.493 2.569 20 0 GFADRO CC[NH+](CC)Cc1ccc(CNc2nc3ccccn3c2-c2nn[nH]n2)cc1 ZINC000825416946 609457109 /nfs/dbraw/zinc/45/71/09/609457109.db2.gz NMGJYQWNALTVRJ-UHFFFAOYSA-N 1 0 376.468 2.968 20 0 GFADRO Fc1ccc(C[NH+]2CCC(Nc3nc4ccccn4c3-c3nn[nH]n3)CC2)cc1 ZINC000826374836 609464671 /nfs/dbraw/zinc/46/46/71/609464671.db2.gz NTYUCLQLEAEHRN-UHFFFAOYSA-N 1 0 392.442 2.730 20 0 GFADRO c1csc(C[N@H+]2CCC[C@@H](CNc3nc4ccccn4c3-c3nn[nH]n3)C2)c1 ZINC000826525871 609467470 /nfs/dbraw/zinc/46/74/70/609467470.db2.gz CGCWZMYIXWBDKB-AWEZNQCLSA-N 1 0 394.508 2.900 20 0 GFADRO COc1ccc([C@@H](CNc2nccc(C)c2-c2nn[nH]n2)[NH+]2CCCC2)cc1 ZINC000826188844 609519361 /nfs/dbraw/zinc/51/93/61/609519361.db2.gz IOJQIBPATXFGIG-QGZVFWFLSA-N 1 0 379.468 2.828 20 0 GFADRO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)Nc2cc3ccc(Br)cn3n2)C1 ZINC000482200570 650662111 /nfs/dbraw/zinc/66/21/11/650662111.db2.gz OXRVGUNKLGJHSV-BXUZGUMPSA-N 1 0 380.290 2.947 20 0 GFADRO C[C@@H]1C[C@@H](C)[N@H+](CCCCS(C)(=O)=O)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000817294584 660189316 /nfs/dbraw/zinc/18/93/16/660189316.db2.gz WWODMGKDQOETLW-OAGGEKHMSA-N 1 0 376.563 2.682 20 0 GFADRO CN(C[C@@H]1CCC[N@@H+]1C)CN1CC[C@H](c2cccc(Br)c2)C1=O ZINC000817374530 660192321 /nfs/dbraw/zinc/19/23/21/660192321.db2.gz LKTRUDPVBHPWGK-DLBZAZTESA-N 1 0 380.330 2.749 20 0 GFADRO C[C@@H]([NH2+]CC1CCN(S(=O)(=O)C(F)(F)F)CC1)c1ccncc1Cl ZINC000817577265 660201190 /nfs/dbraw/zinc/20/11/90/660201190.db2.gz HBGWGLYNSKRQID-SNVBAGLBSA-N 1 0 385.839 2.947 20 0 GFADRO CC[NH+]1CCN(CC(=O)N[C@H](C)c2ccc(C(F)(F)F)nc2Cl)CC1 ZINC000817862662 660210793 /nfs/dbraw/zinc/21/07/93/660210793.db2.gz LHKLQKNWAHJXOA-LLVKDONJSA-N 1 0 378.826 2.569 20 0 GFADRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)Cc3sc(SC(F)F)nc3C)[C@H]2C1 ZINC000818039063 660214486 /nfs/dbraw/zinc/21/44/86/660214486.db2.gz QRQBRGHYFXZFJL-NWDGAFQWSA-N 1 0 391.509 2.630 20 0 GFADRO COc1ccc(S(=O)(=O)C(F)(F)F)cc1NC(=O)[C@@H](C(C)C)[C@H](C)[NH3+] ZINC000818502404 660227415 /nfs/dbraw/zinc/22/74/15/660227415.db2.gz KESKOXDZXJUEGR-ZANVPECISA-N 1 0 382.404 2.547 20 0 GFADRO Cc1ccc(-n2nc(Br)cc2C(=O)N2CC[NH2+]CC2(C)C)cc1 ZINC000818524560 660227677 /nfs/dbraw/zinc/22/76/77/660227677.db2.gz MZWUTFIGLGRGCH-UHFFFAOYSA-N 1 0 377.286 2.767 20 0 GFADRO COCC1(CNC(=O)/C=C\c2ccc(C)cc2Br)CC[NH2+]CC1 ZINC000818591290 660229118 /nfs/dbraw/zinc/22/91/18/660229118.db2.gz ONRLXXFYVGLTTO-WAYWQWQTSA-N 1 0 381.314 2.903 20 0 GFADRO O=S(=O)(CC[NH2+][C@H](Cc1ccncc1)c1cccs1)C1CCOCC1 ZINC000818340582 660223960 /nfs/dbraw/zinc/22/39/60/660223960.db2.gz SCGGWEWGXKAWLU-QGZVFWFLSA-N 1 0 380.535 2.610 20 0 GFADRO C/C(=C/C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1cccc(Cl)c1 ZINC000818594219 660229440 /nfs/dbraw/zinc/22/94/40/660229440.db2.gz KQKAODMCEDEGJU-LMRWQKIVSA-N 1 0 375.822 2.696 20 0 GFADRO C/C(=C\C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1cccc(Cl)c1 ZINC000818594221 660229443 /nfs/dbraw/zinc/22/94/43/660229443.db2.gz KQKAODMCEDEGJU-SAAWKEMMSA-N 1 0 375.822 2.696 20 0 GFADRO Cc1ccccc1[C@@H](O)C[NH2+]CCNC(=O)c1ccc(Br)cc1 ZINC000818972539 660239264 /nfs/dbraw/zinc/23/92/64/660239264.db2.gz KFGDHPQWVDQELS-KRWDZBQOSA-N 1 0 377.282 2.811 20 0 GFADRO O[C@@H](C[NH2+]C[C@H]1CCN(CC(F)(F)F)C1)c1ccc(Br)cc1 ZINC000818972930 660239910 /nfs/dbraw/zinc/23/99/10/660239910.db2.gz OYZIJBOQHDAMDW-RISCZKNCSA-N 1 0 381.236 2.956 20 0 GFADRO CC(C)(C)OC(=O)NCC[NH2+]C[C@H](O)COc1ccc(Cl)cc1Cl ZINC000818982051 660241254 /nfs/dbraw/zinc/24/12/54/660241254.db2.gz DCUXEBXBSADQOD-LBPRGKRZSA-N 1 0 379.284 2.847 20 0 GFADRO COC(=O)N1CCC[C@@H]([NH2+]C[C@@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000819001518 660242892 /nfs/dbraw/zinc/24/28/92/660242892.db2.gz DCPKGAOBKDYHOI-CHWSQXEVSA-N 1 0 377.268 2.554 20 0 GFADRO C[C@](O)(C[NH2+]CCc1cccc(C(N)=O)c1)c1ccc(Br)cc1F ZINC000819003423 660242910 /nfs/dbraw/zinc/24/29/10/660242910.db2.gz WAWFNDXPYMCTNR-SFHVURJKSA-N 1 0 395.272 2.727 20 0 GFADRO CN(CCc1ccccn1)C(=O)C[NH2+]C[C@@H](O)c1ccc(Cl)cc1Cl ZINC000819008997 660243160 /nfs/dbraw/zinc/24/31/60/660243160.db2.gz DQBCWCDGXYNIGY-QGZVFWFLSA-N 1 0 382.291 2.713 20 0 GFADRO CN(C)C(=O)[C@@H]1CCC[C@H]([NH2+]C[C@@H](O)c2ccc(F)c(Br)c2)C1 ZINC000819075098 660245646 /nfs/dbraw/zinc/24/56/46/660245646.db2.gz APSUBWMYUBWEBW-DVOMOZLQSA-N 1 0 387.293 2.858 20 0 GFADRO C[C@@](O)(C[NH2+]CCCN1CCCCC1=O)c1ccc(Br)cc1F ZINC000819028846 660244079 /nfs/dbraw/zinc/24/40/79/660244079.db2.gz LWWOXYINCZWZTI-QGZVFWFLSA-N 1 0 387.293 2.788 20 0 GFADRO CC1(C)OCC([NH2+]C[C@@H](O)COc2ccc(Cl)cc2Br)CO1 ZINC000819226543 660250910 /nfs/dbraw/zinc/25/09/10/660250910.db2.gz SWTFPNOZESLGGT-GFCCVEGCSA-N 1 0 394.693 2.583 20 0 GFADRO O=C1NCCc2ccc(C[NH2+]C[C@@H](O)c3ccc(F)c(Br)c3)cc21 ZINC000819227352 660250976 /nfs/dbraw/zinc/25/09/76/660250976.db2.gz CQBSXLFAGOSBQA-QGZVFWFLSA-N 1 0 393.256 2.697 20 0 GFADRO O=S(=O)(C1CC1)N1CCC([NH2+]C[C@H](O)c2ccc(Cl)cc2Cl)CC1 ZINC000819148274 660248045 /nfs/dbraw/zinc/24/80/45/660248045.db2.gz RXKDJESKSZWSBE-INIZCTEOSA-N 1 0 393.336 2.573 20 0 GFADRO O[C@@H](C[NH2+][C@@H]1CCN(c2ncccc2F)C1)c1ccc(Br)cc1 ZINC000819150730 660248185 /nfs/dbraw/zinc/24/81/85/660248185.db2.gz UZBOICYYSAPYHV-ZBFHGGJFSA-N 1 0 380.261 2.885 20 0 GFADRO O=S1(=O)CCc2cc(C[NH2+]C[C@H](O)c3ccccc3Br)ccc21 ZINC000819151627 660248196 /nfs/dbraw/zinc/24/81/96/660248196.db2.gz CFAAPWSYLDAUBL-INIZCTEOSA-N 1 0 396.306 2.602 20 0 GFADRO CCc1n[nH]c(=O)c(C[NH2+]C[C@@H](O)c2ccccc2Br)c1CC ZINC000819163858 660248337 /nfs/dbraw/zinc/24/83/37/660248337.db2.gz UQEHCTLTEMRRIT-MRXNPFEDSA-N 1 0 380.286 2.893 20 0 GFADRO O[C@@H](C[NH2+][C@H]1CCOC2(CCOCC2)C1)c1ccc(F)c(Br)c1 ZINC000819177821 660249016 /nfs/dbraw/zinc/24/90/16/660249016.db2.gz WOLHJLROADHDSF-BBRMVZONSA-N 1 0 388.277 2.939 20 0 GFADRO O=C1[C@@H]([NH2+]C[C@@H](O)c2ccccc2Br)CCCN1c1cccnc1 ZINC000819224513 660250711 /nfs/dbraw/zinc/25/07/11/660250711.db2.gz HGPXSWUISLKZKE-DLBZAZTESA-N 1 0 390.281 2.663 20 0 GFADRO O=C1[C@H]([NH2+]C[C@H](O)c2cccc(Br)c2)CCCN1c1cccnc1 ZINC000819224321 660250783 /nfs/dbraw/zinc/25/07/83/660250783.db2.gz BSNHVRNLEXOASM-SJORKVTESA-N 1 0 390.281 2.663 20 0 GFADRO O[C@H](C[NH2+][C@@H]1CCOc2c(Cl)c(Cl)ccc21)COC1CCOCC1 ZINC000819261172 660252363 /nfs/dbraw/zinc/25/23/63/660252363.db2.gz ARAIEDJBURLCEX-IAQYHMDHSA-N 1 0 376.280 2.963 20 0 GFADRO CS(=O)(=O)c1ccc(C[NH2+]C[C@H](O)c2cc(F)ccc2F)cc1Cl ZINC000819264288 660252728 /nfs/dbraw/zinc/25/27/28/660252728.db2.gz POJIKLHXRBIUPD-HNNXBMFYSA-N 1 0 375.824 2.845 20 0 GFADRO CON(C)C(=O)CC[NH2+][C@H](C)CCc1ccc(I)cc1 ZINC000819277782 660253342 /nfs/dbraw/zinc/25/33/42/660253342.db2.gz OPTVLFJEBSHSFR-GFCCVEGCSA-N 1 0 390.265 2.612 20 0 GFADRO C[C@](O)(C[NH2+]CCC1(O)CCOCC1)c1ccc(Br)cc1Cl ZINC000819303764 660254196 /nfs/dbraw/zinc/25/41/96/660254196.db2.gz LXETWJXHPLQXDU-HNNXBMFYSA-N 1 0 392.721 2.831 20 0 GFADRO O=C(N1CCCC1)N1CCC[C@@H]([NH2+]C[C@@H](O)c2ccccc2Br)C1 ZINC000819304484 660254355 /nfs/dbraw/zinc/25/43/55/660254355.db2.gz GRIRXZAFDRZDAU-RHSMWYFYSA-N 1 0 396.329 2.752 20 0 GFADRO CCC[C@@H](C)C(=O)NCC[NH2+]C[C@H](O)c1ccc(F)c(Br)c1 ZINC000819329185 660255071 /nfs/dbraw/zinc/25/50/71/660255071.db2.gz HILLERGVZQGODH-ABAIWWIYSA-N 1 0 375.282 2.764 20 0 GFADRO COc1cc(CC[NH2+]C[C@@H](O)c2ccc(S(C)(=O)=O)cc2)ccc1Cl ZINC000819334294 660255281 /nfs/dbraw/zinc/25/52/81/660255281.db2.gz GHCXRUSTDBZYBB-QGZVFWFLSA-N 1 0 383.897 2.618 20 0 GFADRO CSc1ccc([C@@H](CNC(=O)c2cnn(C)c2Br)[NH+](C)C)cc1 ZINC000819337188 660255520 /nfs/dbraw/zinc/25/55/20/660255520.db2.gz ZSFLGXGFXYFWRZ-CQSZACIVSA-N 1 0 397.342 2.937 20 0 GFADRO COC[C@@](C)(O)CC[NH2+]C[C@](C)(O)c1ccc(Br)cc1Cl ZINC000819339741 660255779 /nfs/dbraw/zinc/25/57/79/660255779.db2.gz OWJCLWJDJUUMHH-GJZGRUSLSA-N 1 0 380.710 2.687 20 0 GFADRO O=S1(=O)C[C@H](C[NH2+]C[C@H](O)c2ccccc2Br)c2ccccc21 ZINC000819338088 660255788 /nfs/dbraw/zinc/25/57/88/660255788.db2.gz WCTFEORAJKANMA-LRDDRELGSA-N 1 0 396.306 2.643 20 0 GFADRO CCOC(=O)N1CC[C@@H]([NH2+]C[C@](C)(O)c2ccc(Br)cc2F)C1 ZINC000819239331 660251457 /nfs/dbraw/zinc/25/14/57/660251457.db2.gz RRMMVKYOVKGQCO-WBMJQRKESA-N 1 0 389.265 2.616 20 0 GFADRO C[N@@H+]1CCC[C@@H]1[C@H]1COCCN1C(=O)CSc1nc2ccccc2s1 ZINC000820459512 660294335 /nfs/dbraw/zinc/29/43/35/660294335.db2.gz UFRVQBDCCLJNCI-HUUCEWRRSA-N 1 0 377.535 2.710 20 0 GFADRO CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)C1(Br)CC1 ZINC000820662694 660301993 /nfs/dbraw/zinc/30/19/93/660301993.db2.gz SZBIYPMMSKJACQ-UHFFFAOYSA-N 1 0 386.378 2.569 20 0 GFADRO O=C(C/C=C\c1ccc(Br)cc1)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000821056933 660314197 /nfs/dbraw/zinc/31/41/97/660314197.db2.gz GKAUQLZAACOUQH-DVZSUYKVSA-N 1 0 381.314 2.815 20 0 GFADRO CC(=O)N1C[C@@H]2C[N@H+](CC(=O)N[C@@H](C)c3ccc(Cl)cc3Cl)C[C@@H]2C1 ZINC000821328631 660321288 /nfs/dbraw/zinc/32/12/88/660321288.db2.gz MHJVVNUIVHXXEY-FPMFFAJLSA-N 1 0 384.307 2.581 20 0 GFADRO Cc1cc(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)nn1-c1ccccc1Br ZINC000821759143 660333284 /nfs/dbraw/zinc/33/32/84/660333284.db2.gz WGSVMLBNVLINLN-LAQFHYBYSA-N 1 0 389.297 2.575 20 0 GFADRO C[C@]1(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)CC1(Br)Br ZINC000822155451 660341153 /nfs/dbraw/zinc/34/11/53/660341153.db2.gz JLOGCLHOCFADPQ-JFGNBEQYSA-N 1 0 380.124 2.626 20 0 GFADRO Cc1[nH]nc(Br)c1C(=O)Nc1ccc(OCC[NH+](C)C)c(F)c1 ZINC000822484336 660346438 /nfs/dbraw/zinc/34/64/38/660346438.db2.gz MQAVYWGDTSJREM-UHFFFAOYSA-N 1 0 385.237 2.812 20 0 GFADRO O=C(CCc1cccc(F)c1Br)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000822877738 660356308 /nfs/dbraw/zinc/35/63/08/660356308.db2.gz BDYHUXOFWRAGJC-UONOGXRCSA-N 1 0 385.277 2.500 20 0 GFADRO CCC[N@@H+]1CC[C@@H](NC(=O)N(C)C[C@@H](O)c2ccccc2Br)C1 ZINC000823044816 660360361 /nfs/dbraw/zinc/36/03/61/660360361.db2.gz LBMWCNWFHBGROR-CZUORRHYSA-N 1 0 384.318 2.608 20 0 GFADRO C[NH+](C)C[C@H](NC(=O)c1cc(N)nc(Br)c1)c1ccc(F)cc1 ZINC000822940065 660358581 /nfs/dbraw/zinc/35/85/81/660358581.db2.gz VJXJQQPDMFPAID-ZDUSSCGKSA-N 1 0 381.249 2.598 20 0 GFADRO CC(C)[C@@H](c1nc(CNC(=O)c2ccc(Br)cc2)no1)[C@H](C)[NH3+] ZINC000823200430 660364739 /nfs/dbraw/zinc/36/47/39/660364739.db2.gz VKFUBJKRKGZBKJ-IINYFYTJSA-N 1 0 381.274 2.849 20 0 GFADRO C[C@@H]1C[C@H](C[N@H+](C)CC(C)(C)S(C)(=O)=O)CCN1C(=O)OC(C)(C)C ZINC000823478023 660373259 /nfs/dbraw/zinc/37/32/59/660373259.db2.gz ZBDMVAJMMFQRPV-HUUCEWRRSA-N 1 0 376.563 2.777 20 0 GFADRO Cc1c(Br)nccc1NC(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000823572719 660375273 /nfs/dbraw/zinc/37/52/73/660375273.db2.gz ZRHDLSHCYNPADJ-CYBMUJFWSA-N 1 0 383.290 2.527 20 0 GFADRO Cc1cc(Br)nc(NC(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)c1 ZINC000823719065 660378748 /nfs/dbraw/zinc/37/87/48/660378748.db2.gz OOTTZURWQHMUEW-ZDUSSCGKSA-N 1 0 383.290 2.527 20 0 GFADRO C[C@@H]1C[C@H](C[NH2+]CCS(=O)(=O)C(C)(C)C)CCN1C(=O)OC(C)(C)C ZINC000823867064 660382054 /nfs/dbraw/zinc/38/20/54/660382054.db2.gz YBGYIDMRHILSKN-HUUCEWRRSA-N 1 0 376.563 2.825 20 0 GFADRO CC(C)[C@H](CNC(=O)OC(C)(C)C)C[NH2+][C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000823911393 660382891 /nfs/dbraw/zinc/38/28/91/660382891.db2.gz GWOMKXZITJZKPB-XHSDSOJGSA-N 1 0 376.563 2.729 20 0 GFADRO OC[C@@H](C[C@@H](O)c1ccccc1)[NH2+]Cc1ccc(I)cc1 ZINC000824056756 660384731 /nfs/dbraw/zinc/38/47/31/660384731.db2.gz BCUUGFLRGDCEPX-IAGOWNOFSA-N 1 0 397.256 2.865 20 0 GFADRO OC[C@H](C[C@H](O)c1ccccc1)[NH2+]Cc1ccc(I)cc1 ZINC000824056758 660384755 /nfs/dbraw/zinc/38/47/55/660384755.db2.gz BCUUGFLRGDCEPX-IRXDYDNUSA-N 1 0 397.256 2.865 20 0 GFADRO C[C@@]1(C(=O)N[C@H]2C[C@@H]([NH+]3CCCC3)C2)CC1(Br)Br ZINC000824111534 660385652 /nfs/dbraw/zinc/38/56/52/660385652.db2.gz LQLMFUJVMSZUHN-UMNHJUIQSA-N 1 0 380.124 2.626 20 0 GFADRO COCC(C)(C)[NH+]1CCN(C(=O)Nc2ccc(Br)nc2C)CC1 ZINC000824259666 660388456 /nfs/dbraw/zinc/38/84/56/660388456.db2.gz IKLKQECBGHTDPB-UHFFFAOYSA-N 1 0 385.306 2.727 20 0 GFADRO CC(C)(C)[N@@H+]1CCCN(C(=O)c2csc(I)n2)CC1 ZINC000824632433 660398301 /nfs/dbraw/zinc/39/83/01/660398301.db2.gz JRVRBDONTHXFBP-UHFFFAOYSA-N 1 0 393.294 2.694 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)c2cnn3cccc(Br)c23)C1 ZINC000824652020 660398791 /nfs/dbraw/zinc/39/87/91/660398791.db2.gz ROZZIEVKPFYUGP-LBPRGKRZSA-N 1 0 379.302 2.947 20 0 GFADRO C[C@@]1(NC(=O)c2cc3ccc(Br)cc3c(=O)o2)C[NH+]2CCC1CC2 ZINC000824894647 660404200 /nfs/dbraw/zinc/40/42/00/660404200.db2.gz KFSLBXLOFHEIDE-GOSISDBHSA-N 1 0 391.265 2.770 20 0 GFADRO Cn1nnc2cc(C[N@H+](C)C[C@@H](O)c3ccccc3Br)ccc21 ZINC000825305956 660419720 /nfs/dbraw/zinc/41/97/20/660419720.db2.gz XCDWDXTVLQRIPH-QGZVFWFLSA-N 1 0 375.270 2.896 20 0 GFADRO C[NH+]1CCC(OCC(=O)N[C@@H]2CSCc3ccc(Br)cc32)CC1 ZINC000825244066 660417297 /nfs/dbraw/zinc/41/72/97/660417297.db2.gz PBKOXMPUIACVLT-MRXNPFEDSA-N 1 0 399.354 2.964 20 0 GFADRO Cn1nc(C(=O)NC2CC[NH+](CC3CCCCC3)CC2)cc1Br ZINC000825472048 660429080 /nfs/dbraw/zinc/42/90/80/660429080.db2.gz IKHJYBYLXDMJKW-UHFFFAOYSA-N 1 0 383.334 2.957 20 0 GFADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)Nc1ccc(F)c(Br)c1F ZINC000825667103 660437275 /nfs/dbraw/zinc/43/72/75/660437275.db2.gz TXCWOTKVZFZDCE-NXEZZACHSA-N 1 0 390.228 2.712 20 0 GFADRO O=C(c1c(Br)nc2n1CCC2)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000825973036 660446922 /nfs/dbraw/zinc/44/69/22/660446922.db2.gz LLEMJKIUJLVYFG-CYBMUJFWSA-N 1 0 381.318 2.682 20 0 GFADRO COC(=O)c1sc2c(c1Br)CN(C(=O)CC[NH2+]C(C)(C)C)C2 ZINC000826702259 660461888 /nfs/dbraw/zinc/46/18/88/660461888.db2.gz GFUSFFLIBHEMDP-UHFFFAOYSA-N 1 0 389.315 2.918 20 0 GFADRO COC1CC[NH+](C(C)(C)CNC(=O)c2sc(Br)nc2C)CC1 ZINC000826797525 660464888 /nfs/dbraw/zinc/46/48/88/660464888.db2.gz VIICWBSNSKRPFD-UHFFFAOYSA-N 1 0 390.347 2.833 20 0 GFADRO C[N@@H+]1CC[C@H]2CN(C(=O)c3ccn(-c4cccc(Br)c4)n3)CC[C@@H]21 ZINC000827322470 660489035 /nfs/dbraw/zinc/48/90/35/660489035.db2.gz ZWXSLDMVDCSYOF-GUYCJALGSA-N 1 0 389.297 2.801 20 0 GFADRO C[C@H](Oc1ccc(F)cc1Br)C(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000827337239 660489657 /nfs/dbraw/zinc/48/96/57/660489657.db2.gz KTIZUDAOJSMXMF-SLEUVZQESA-N 1 0 385.277 2.908 20 0 GFADRO COc1ccc(CCC(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)cc1Br ZINC000827344168 660490354 /nfs/dbraw/zinc/49/03/54/660490354.db2.gz CQOLBDFMZDBAEB-GDBMZVCRSA-N 1 0 381.314 2.943 20 0 GFADRO COc1cc(C(=O)N2CC[C@H]3[C@H](CC[N@@H+]3C)C2)cc(OC)c1Br ZINC000827353195 660491022 /nfs/dbraw/zinc/49/10/22/660491022.db2.gz APEAFAZBBLNMJL-YPMHNXCESA-N 1 0 383.286 2.633 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3cn(-c4ccc(Br)cc4)cn3)CC[C@@H]21 ZINC000827297061 660488173 /nfs/dbraw/zinc/48/81/73/660488173.db2.gz GKLNPFDDOYENPX-DYVFJYSZSA-N 1 0 389.297 2.801 20 0 GFADRO C[N@@H+]1CC[C@H]2CN(C(=O)c3cc(=O)[nH]c4c(Br)cccc34)CC[C@@H]21 ZINC000827312061 660488462 /nfs/dbraw/zinc/48/84/62/660488462.db2.gz UCGUPXYZRMYLRH-NHYWBVRUSA-N 1 0 390.281 2.869 20 0 GFADRO [NH3+][C@H](CC(=O)NCC1(c2cccc(Br)c2)CCOCC1)C1CC1 ZINC000827429275 660494917 /nfs/dbraw/zinc/49/49/17/660494917.db2.gz COWHWDKXGRINKH-MRXNPFEDSA-N 1 0 381.314 2.741 20 0 GFADRO CN1CC[NH+](C2CCN(C(=O)COc3c(Cl)cccc3Cl)CC2)CC1 ZINC000827472975 660498310 /nfs/dbraw/zinc/49/83/10/660498310.db2.gz DIDJKYXVXCSMMY-UHFFFAOYSA-N 1 0 386.323 2.611 20 0 GFADRO Cc1cc2c(NC(=O)COC3CC[NH+](C)CC3)n[nH]c2c(Br)c1 ZINC000827588013 660503556 /nfs/dbraw/zinc/50/35/56/660503556.db2.gz KBNSZBGIJJSVFS-UHFFFAOYSA-N 1 0 381.274 2.683 20 0 GFADRO CC(C)(C[NH2+]Cc1nc2ccccn2c1Br)[C@]1(O)CCCOC1 ZINC000827594281 660504058 /nfs/dbraw/zinc/50/40/58/660504058.db2.gz FOHGFBYONGXKEM-KRWDZBQOSA-N 1 0 382.302 2.754 20 0 GFADRO C[NH+](C)CC[C@H](NC(=O)c1csc(I)n1)C(C)(C)C ZINC000827998293 660525699 /nfs/dbraw/zinc/52/56/99/660525699.db2.gz GMDAFJAYJBIZKO-JTQLQIEISA-N 1 0 395.310 2.844 20 0 GFADRO O=C([C@@H]1C[C@H]1C1CC[NH2+]CC1)N1CCO[C@@H](c2ccccc2Br)C1 ZINC000828122172 660535548 /nfs/dbraw/zinc/53/55/48/660535548.db2.gz KQLFQSGYRLGFID-LZLYRXPVSA-N 1 0 393.325 2.985 20 0 GFADRO C[C@H](C(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1)c1ccc(I)cc1 ZINC000828511596 660553519 /nfs/dbraw/zinc/55/35/19/660553519.db2.gz NFHRFXBUBFHSRW-BJJXKVORSA-N 1 0 398.288 2.947 20 0 GFADRO C[C@]1(C[NH+]2CCN(c3ccc(NS(C)(=O)=O)cc3)CC2)CC1(Cl)Cl ZINC000828590665 660558467 /nfs/dbraw/zinc/55/84/67/660558467.db2.gz PEVVUKYHLLIDOI-OAHLLOKOSA-N 1 0 392.352 2.764 20 0 GFADRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1ccc(C(F)(F)Br)nc1 ZINC000828590950 660558549 /nfs/dbraw/zinc/55/85/49/660558549.db2.gz HHCYYZOYGMUMPD-ZYHUDNBSSA-N 1 0 376.245 2.938 20 0 GFADRO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)c1cc(Br)c2nccnc2c1 ZINC000828958535 660576422 /nfs/dbraw/zinc/57/64/22/660576422.db2.gz GPSKTZPQQPCKMU-HUUCEWRRSA-N 1 0 375.270 2.701 20 0 GFADRO O=C(CCC[NH+]1CCC2(CNC(=O)O2)CC1)c1ccc(Br)cc1 ZINC000829099906 660580950 /nfs/dbraw/zinc/58/09/50/660580950.db2.gz BZELYHRZOSPVJN-UHFFFAOYSA-N 1 0 381.270 2.986 20 0 GFADRO CC[NH+](CC)[C@H]1CCN(C(=O)[C@@]2(C)CC2(Br)Br)C1 ZINC000829201456 660585180 /nfs/dbraw/zinc/58/51/80/660585180.db2.gz LXAAEZCHBHRJNQ-CMPLNLGQSA-N 1 0 382.140 2.825 20 0 GFADRO Cc1cccc(Br)c1C(=O)N(C)CC[NH+]1CC2(C1)CCOCC2 ZINC000829235916 660585909 /nfs/dbraw/zinc/58/59/09/660585909.db2.gz OKBREMHPYXYZAY-UHFFFAOYSA-N 1 0 381.314 2.942 20 0 GFADRO COc1ccc(C(=O)N(C)CC[NH+]2CC3(C2)CCOCC3)cc1Br ZINC000829293565 660587951 /nfs/dbraw/zinc/58/79/51/660587951.db2.gz SPTLWVXGWSXZQW-UHFFFAOYSA-N 1 0 397.313 2.642 20 0 GFADRO COc1cc(Br)cc(C(=O)N2CCC([NH2+]C3CCOCC3)CC2)c1 ZINC000829541564 660598249 /nfs/dbraw/zinc/59/82/49/660598249.db2.gz FZWLUBKXRWDAPV-UHFFFAOYSA-N 1 0 397.313 2.831 20 0 GFADRO CC(C)CN(CC1CC[NH+](C)CC1)C(=O)c1cc(N)nc(Br)c1 ZINC000829600517 660602466 /nfs/dbraw/zinc/60/24/66/660602466.db2.gz WQILJWOJXWWLFM-UHFFFAOYSA-N 1 0 383.334 2.866 20 0 GFADRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)c2cccc(S(=O)(=O)C(F)(F)F)c2)C1 ZINC000829706070 660608413 /nfs/dbraw/zinc/60/84/13/660608413.db2.gz YMESFSLXHJUICA-OLZOCXBDSA-N 1 0 378.416 2.583 20 0 GFADRO C[NH+](C)CCn1ccc(NC(=O)[C@@H]2[C@@H]3Cc4c(cccc4Br)[C@@H]32)n1 ZINC000624922130 652310732 /nfs/dbraw/zinc/31/07/32/652310732.db2.gz RKPXSUMACJHTGH-XOKHGSTOSA-N 1 0 389.297 2.732 20 0 GFADRO Cc1nc(Br)sc1C(=O)N1CC[C@@H](OCC[NH+]2CCCC2)C1 ZINC000830278975 660646796 /nfs/dbraw/zinc/64/67/96/660646796.db2.gz RLIXVMWJIYIVIU-GFCCVEGCSA-N 1 0 388.331 2.541 20 0 GFADRO CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)NC[C@@H](O)c1c(Cl)cccc1Cl ZINC000830284616 660646816 /nfs/dbraw/zinc/64/68/16/660646816.db2.gz JWNSASWDLGWRNW-ALQCYILLSA-N 1 0 387.307 2.676 20 0 GFADRO CN(C)C(=O)O[C@H]1CC[N@H+](C[C@@H](O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000830488120 660659106 /nfs/dbraw/zinc/65/91/06/660659106.db2.gz SDZZJXJSVFJLAK-YPMHNXCESA-N 1 0 377.268 2.506 20 0 GFADRO CN(C)C(=O)O[C@@H]1CCC[N@H+](CCC(=O)Nc2ccccc2Br)C1 ZINC000830584598 660665468 /nfs/dbraw/zinc/66/54/68/660665468.db2.gz UNRJTWVVSAZVQC-CYBMUJFWSA-N 1 0 398.301 2.940 20 0 GFADRO Cc1cc([C@H]([NH3+])CC(=O)N2CCN([C@@H](C)C(F)(F)F)CC2)cc(Cl)n1 ZINC000831047631 660692083 /nfs/dbraw/zinc/69/20/83/660692083.db2.gz TVEFWNIPTGCJST-WCQYABFASA-N 1 0 378.826 2.528 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)NCCCCCC[NH3+] ZINC000831123341 660697313 /nfs/dbraw/zinc/69/73/13/660697313.db2.gz NNLXDGMTWWSLEI-UHFFFAOYSA-N 1 0 399.333 2.904 20 0 GFADRO Cn1nc(C(=O)N[C@H](C[NH+](C)C)c2ccc(Cl)cc2)cc1Br ZINC000831490850 660711431 /nfs/dbraw/zinc/71/14/31/660711431.db2.gz VHRAKYKZVXPBQO-CYBMUJFWSA-N 1 0 385.693 2.869 20 0 GFADRO O=C(N1C[C@@H]2CC[N@@H+](C[C@H](O)c3ccc(Cl)cc3)C[C@@H]2C1)C(F)(F)F ZINC000831572633 660713281 /nfs/dbraw/zinc/71/32/81/660713281.db2.gz WHKMKXNIZIPROS-GUTXKFCHSA-N 1 0 376.806 2.716 20 0 GFADRO C[N@H+](Cc1ccccc1)C1(CNC(=O)[C@@H]2C[C@@]2(C)Br)CCOCC1 ZINC000831586668 660713527 /nfs/dbraw/zinc/71/35/27/660713527.db2.gz PQYAMRMOBQBURO-FUHWJXTLSA-N 1 0 395.341 2.957 20 0 GFADRO COCCS(=O)(=O)CCCN1CC[C@H](c2cccc(Br)c2)C1 ZINC000831593902 660713866 /nfs/dbraw/zinc/71/38/66/660713866.db2.gz PHBDNQHSCBSHFN-HNNXBMFYSA-N 1 0 390.343 2.690 20 0 GFADRO C[N@H+](Cc1ccccc1)C1(CNC(=O)[C@@H]2CSCCS2)CCOCC1 ZINC000831600687 660714557 /nfs/dbraw/zinc/71/45/57/660714557.db2.gz XQWFLYOMZFQTTP-KRWDZBQOSA-N 1 0 380.579 2.632 20 0 GFADRO Cc1cnc(N2CCN(C(=O)C[C@@H]([NH3+])c3cc(C)nc(Cl)c3)CC2)s1 ZINC000831952257 660739388 /nfs/dbraw/zinc/73/93/88/660739388.db2.gz BALTXWGMYVCNGJ-CQSZACIVSA-N 1 0 379.917 2.547 20 0 GFADRO O=C(c1[nH]nc2c1C[NH2+]CC2)N1CCC(c2ccccc2Br)CC1 ZINC000832077318 660751926 /nfs/dbraw/zinc/75/19/26/660751926.db2.gz DBNBOYDWEQNLTB-UHFFFAOYSA-N 1 0 389.297 2.838 20 0 GFADRO CC[C@H]1CN(C(=O)c2cc(Br)n[nH]2)CCN1Cc1ccccc1 ZINC000832171260 660760172 /nfs/dbraw/zinc/76/01/72/660760172.db2.gz QQDAGVTVVJOGLO-AWEZNQCLSA-N 1 0 377.286 2.909 20 0 GFADRO CCn1c(Br)c(Br)nc1CN(C)C[C@@H]1CCC[N@@H+]1C ZINC000894981291 663492960 /nfs/dbraw/zinc/49/29/60/663492960.db2.gz DIXQBCSTBANBMA-JTQLQIEISA-N 1 0 394.155 2.954 20 0 GFADRO CCOC(=O)[C@H](F)C1C[NH+](CCC(=O)Nc2ccc(Br)cc2)C1 ZINC000834377868 660817408 /nfs/dbraw/zinc/81/74/08/660817408.db2.gz JJBDAKOTBZSLBE-OAHLLOKOSA-N 1 0 387.249 2.611 20 0 GFADRO Cc1csc(C(=O)N2CCC3(C2)CC[NH2+]CC3)c1I ZINC000834439173 660820084 /nfs/dbraw/zinc/82/00/84/660820084.db2.gz VXLFOENWOPRZQK-UHFFFAOYSA-N 1 0 390.290 2.877 20 0 GFADRO C[C@@H]([NH2+]CCCc1cnn(C)n1)c1ccc(F)c(I)c1 ZINC000834810221 660833828 /nfs/dbraw/zinc/83/38/28/660833828.db2.gz ADCJWVZHHAEZTL-SNVBAGLBSA-N 1 0 388.228 2.842 20 0 GFADRO CCC[N@@H+]1CC[C@@H](CNC(=O)N(C)C[C@H](O)c2ccccc2Br)C1 ZINC000836325460 660899953 /nfs/dbraw/zinc/89/99/53/660899953.db2.gz BTGYPGKJYMYXFL-YOEHRIQHSA-N 1 0 398.345 2.856 20 0 GFADRO C[C@H](C[NH+]1CCCCC1)NC(=O)NC[C@H](O)c1ccccc1Br ZINC000836344248 660900450 /nfs/dbraw/zinc/90/04/50/660900450.db2.gz CHNWJXVPPMUVMO-CJNGLKHVSA-N 1 0 384.318 2.656 20 0 GFADRO O=C(NC[C@H](O)c1cccc(Br)c1)NC1CC[NH+](C2CCC2)CC1 ZINC000836643479 660924004 /nfs/dbraw/zinc/92/40/04/660924004.db2.gz DEJXJOFFCSONJX-KRWDZBQOSA-N 1 0 396.329 2.799 20 0 GFADRO O[C@@H](C[NH2+]Cc1ccccc1)COc1ccc(I)cc1 ZINC000005773490 654449420 /nfs/dbraw/zinc/44/94/20/654449420.db2.gz FAXBUTCVHPCILP-HNNXBMFYSA-N 1 0 383.229 2.821 20 0 GFADRO C[NH+]1CCC(C(=O)Nc2cc(N3CCOCC3)ccc2Br)CC1 ZINC000836904184 660953551 /nfs/dbraw/zinc/95/35/51/660953551.db2.gz SIGBABBEZIJYBD-UHFFFAOYSA-N 1 0 382.302 2.566 20 0 GFADRO CCS(=O)(=O)N1CCC([NH2+][C@@H](C)c2ccccc2Br)CC1 ZINC000021809243 654530078 /nfs/dbraw/zinc/53/00/78/654530078.db2.gz GRQXUHLEKNEQHN-LBPRGKRZSA-N 1 0 375.332 2.914 20 0 GFADRO CCc1ccc(S(=O)(=O)NCC2CC[NH+](Cc3ccncc3)CC2)s1 ZINC000023000170 654535801 /nfs/dbraw/zinc/53/58/01/654535801.db2.gz DUJQQIIGCBFVAN-UHFFFAOYSA-N 1 0 379.551 2.896 20 0 GFADRO C[C@@H](C[NH+]1CCCCC1)NC(=O)[C@H](C)NC(=O)c1ccc(Br)cc1 ZINC000027743463 654565421 /nfs/dbraw/zinc/56/54/21/654565421.db2.gz UONVKOJGSUZXKA-KBPBESRZSA-N 1 0 396.329 2.558 20 0 GFADRO O=C(COC(=O)Cc1ccc(Cl)c(Cl)c1)NC1CC[NH+](C2CC2)CC1 ZINC000028165454 654570781 /nfs/dbraw/zinc/57/07/81/654570781.db2.gz GDPKPDZHYUMFAO-UHFFFAOYSA-N 1 0 385.291 2.822 20 0 GFADRO O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)c1cc(Cl)c(Cl)[nH]1 ZINC000032759865 654608191 /nfs/dbraw/zinc/60/81/91/654608191.db2.gz FMBDVXWQTMVHGH-UHFFFAOYSA-N 1 0 381.307 2.869 20 0 GFADRO COc1ccccc1S(=O)(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000038584835 654618014 /nfs/dbraw/zinc/61/80/14/654618014.db2.gz HLEJCLMSSSQLBF-UHFFFAOYSA-N 1 0 380.535 2.947 20 0 GFADRO C[C@@H](CNC(=O)C(=O)Nc1ccccc1Br)[N@@H+]1CCC[C@@H](C)C1 ZINC000041651240 654629080 /nfs/dbraw/zinc/62/90/80/654629080.db2.gz NDXPRDWWPNFQQC-OLZOCXBDSA-N 1 0 382.302 2.624 20 0 GFADRO C[NH+](C)C1(CNC(=O)CN2C(=S)N=NC2c2cccs2)CCCCC1 ZINC000041793850 654631860 /nfs/dbraw/zinc/63/18/60/654631860.db2.gz DTHFKDJVMKTPIH-UHFFFAOYSA-N 1 0 379.555 2.676 20 0 GFADRO CCNC(=O)[C@@H](C)[NH2+]Cc1c(C)nn(-c2ccc(Br)cc2)c1C ZINC000048709289 654711918 /nfs/dbraw/zinc/71/19/18/654711918.db2.gz GULHRFNJJWLRPI-GFCCVEGCSA-N 1 0 379.302 2.866 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1ccc(Br)cc1)c1cccs1 ZINC000048742167 654712476 /nfs/dbraw/zinc/71/24/76/654712476.db2.gz LNBGBLDXXJIXPM-ZDUSSCGKSA-N 1 0 396.310 2.868 20 0 GFADRO CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc3nc(SC)sc3c2)CC1 ZINC000048883095 654713420 /nfs/dbraw/zinc/71/34/20/654713420.db2.gz XBGDNYDIGZEMFU-UHFFFAOYSA-N 1 0 378.523 2.557 20 0 GFADRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)c1c(Br)nc2n1CCCC2 ZINC000837416930 660994874 /nfs/dbraw/zinc/99/48/74/660994874.db2.gz LPSBSIQTSGTGOV-CYBMUJFWSA-N 1 0 383.334 2.976 20 0 GFADRO Cc1c(Br)cccc1NC(=O)C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000121990162 654727266 /nfs/dbraw/zinc/72/72/66/654727266.db2.gz PBEBAFKTKLNXDS-CJNGLKHVSA-N 1 0 394.313 2.639 20 0 GFADRO CC[NH+](CC)C[C@H]1CCN(C(=O)c2c(Br)nc3n2CCCC3)C1 ZINC000837443236 660997269 /nfs/dbraw/zinc/99/72/69/660997269.db2.gz IKJKUUAYFUWJBH-CYBMUJFWSA-N 1 0 383.334 2.786 20 0 GFADRO CC[NH+](CC)[C@@H]1CCN(S(=O)(=O)c2cc(Br)sc2C)C1 ZINC000122444957 654737376 /nfs/dbraw/zinc/73/73/76/654737376.db2.gz ZYFZNHHTNCAQNC-LLVKDONJSA-N 1 0 381.361 2.924 20 0 GFADRO O=C(CC[NH+]1CCC(N2CCNC2=O)CC1)Nc1cc(Cl)ccc1Cl ZINC000053283674 654743453 /nfs/dbraw/zinc/74/34/53/654743453.db2.gz QHMKZQUEGQAMDJ-UHFFFAOYSA-N 1 0 385.295 2.812 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)N1CCN(Cc2ccsc2)CC1)c1cccs1 ZINC000053529599 654748474 /nfs/dbraw/zinc/74/84/74/654748474.db2.gz PNCQKOSWXYLZEB-INIZCTEOSA-N 1 0 378.567 2.940 20 0 GFADRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2c(Br)nc3n2CCCC3)C1 ZINC000837480038 661000810 /nfs/dbraw/zinc/00/08/10/661000810.db2.gz FXUKQEJDLWNQQL-QWHCGFSZSA-N 1 0 381.318 2.538 20 0 GFADRO C[N@H+](CCC(=O)Nc1ccc(Br)cc1)CC(C)(C)S(C)(=O)=O ZINC000123669855 654760502 /nfs/dbraw/zinc/76/05/02/654760502.db2.gz LAFWSAHHNITWCK-UHFFFAOYSA-N 1 0 391.331 2.533 20 0 GFADRO CC[NH+](CC)CCN(Cc1ccccc1)S(=O)(=O)c1cn(C)c(Cl)n1 ZINC000123773186 654763274 /nfs/dbraw/zinc/76/32/74/654763274.db2.gz UNSCVOOEPYEJPR-UHFFFAOYSA-N 1 0 384.933 2.606 20 0 GFADRO C[C@H]1CCCC[N@@H+]1CCNC(=O)Cc1cccc(I)c1 ZINC000123939771 654766294 /nfs/dbraw/zinc/76/62/94/654766294.db2.gz AEMLBHVNLCHRHB-ZDUSSCGKSA-N 1 0 386.277 2.824 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1CCNC(=O)Cc1cccc(I)c1 ZINC000123939548 654766359 /nfs/dbraw/zinc/76/63/59/654766359.db2.gz AEMLBHVNLCHRHB-CYBMUJFWSA-N 1 0 386.277 2.824 20 0 GFADRO C[NH+](C)CCC1CCN(C(=O)C(=O)Nc2ccccc2Br)CC1 ZINC000124509532 654776873 /nfs/dbraw/zinc/77/68/73/654776873.db2.gz SJOGAMWGCXHHOM-UHFFFAOYSA-N 1 0 382.302 2.578 20 0 GFADRO C[C@H]1C[C@@H](N(C)C(=O)c2ccc(I)c(F)c2)CC[N@@H+]1C ZINC000124620270 654779755 /nfs/dbraw/zinc/77/97/55/654779755.db2.gz QIYBVGSXLRSVIC-JQWIXIFHSA-N 1 0 390.240 2.985 20 0 GFADRO CCC[NH+]1CCC(N(C)S(=O)(=O)c2nc(C)c(Br)s2)CC1 ZINC000125548048 654797483 /nfs/dbraw/zinc/79/74/83/654797483.db2.gz KRUPUHNMGMEWIN-UHFFFAOYSA-N 1 0 396.376 2.709 20 0 GFADRO C[C@H](C[NH+]1CCCCC1)NC(=O)/C=C/c1ccc(I)o1 ZINC000125907167 654804986 /nfs/dbraw/zinc/80/49/86/654804986.db2.gz RIRZPXFGQBSGLY-WAFBPQNNSA-N 1 0 388.249 2.888 20 0 GFADRO COc1cc(Br)ccc1C(=O)NCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000125946150 654805896 /nfs/dbraw/zinc/80/58/96/654805896.db2.gz HVUXAUGDTCZLDY-STQMWFEESA-N 1 0 385.302 2.687 20 0 GFADRO CC(=O)Nc1cc(F)c(S(=O)(=O)N[C@H](C)C(C)(C)C[NH+](C)C)cc1Cl ZINC000126041529 654807691 /nfs/dbraw/zinc/80/76/91/654807691.db2.gz QGIKRPPABHGFJH-SNVBAGLBSA-N 1 0 393.912 2.692 20 0 GFADRO CCC[NH+]1CCC(NS(=O)(=O)c2cc(C)ccc2Br)CC1 ZINC000126241984 654811068 /nfs/dbraw/zinc/81/10/68/654811068.db2.gz DELRCWFITMWTLW-UHFFFAOYSA-N 1 0 375.332 2.910 20 0 GFADRO O=S(=O)(NCC1CC[NH+](Cc2cccs2)CC1)c1ccc(Cl)nc1 ZINC000057928653 654812517 /nfs/dbraw/zinc/81/25/17/654812517.db2.gz PJRXYBMTOAKEIB-UHFFFAOYSA-N 1 0 385.942 2.987 20 0 GFADRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)Cc2ccccc2I)C1 ZINC000126664647 654818173 /nfs/dbraw/zinc/81/81/73/654818173.db2.gz QVMSWCPJVQSBRG-ZBFHGGJFSA-N 1 0 398.288 2.776 20 0 GFADRO O=C(NCC[NH+]1CCCCC1)[C@@]12CCC(=O)N1c1cc(Cl)ccc1S2 ZINC000060099376 654826556 /nfs/dbraw/zinc/82/65/56/654826556.db2.gz NFYZELYYYRESKE-SFHVURJKSA-N 1 0 379.913 2.871 20 0 GFADRO O=S(=O)(NCC[NH2+]Cc1c[nH]nc1-c1ccccc1)c1ccc(Cl)s1 ZINC000127864823 654836365 /nfs/dbraw/zinc/83/63/65/654836365.db2.gz ICFOPMDMHQBZIB-UHFFFAOYSA-N 1 0 396.925 2.860 20 0 GFADRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1ccc(Cl)c(NS(C)(=O)=O)c1 ZINC000061428836 654839241 /nfs/dbraw/zinc/83/92/41/654839241.db2.gz SKAXOGUMKUGDKE-QWHCGFSZSA-N 1 0 387.933 2.562 20 0 GFADRO Cc1nccn1CCCOC(=O)c1cccnc1-n1cc(Br)cn1 ZINC000837926571 661020469 /nfs/dbraw/zinc/02/04/69/661020469.db2.gz WKIQYNZAEIFPKU-UHFFFAOYSA-N 1 0 390.241 2.782 20 0 GFADRO O[C@H](C[NH2+]Cc1ccc(Br)s1)COc1ccc2c(c1)OCO2 ZINC000063523686 654853835 /nfs/dbraw/zinc/85/38/35/654853835.db2.gz TVEXXOOIWUFCTC-SNVBAGLBSA-N 1 0 386.267 2.769 20 0 GFADRO COc1ccc(Cl)c(NC(=O)C(=O)NC[C@H](c2cccs2)[NH+](C)C)c1 ZINC000064575335 654872260 /nfs/dbraw/zinc/87/22/60/654872260.db2.gz SEMCUHLUHYDRJW-CQSZACIVSA-N 1 0 381.885 2.768 20 0 GFADRO C[N@@H+]1CC[C@@H](CNC(=O)c2cc(I)ccc2Cl)C1 ZINC000129950631 654878704 /nfs/dbraw/zinc/87/87/04/654878704.db2.gz SRIMCBMVQJCWFE-VIFPVBQESA-N 1 0 378.641 2.626 20 0 GFADRO CS(=O)(=O)N1CCC(C[NH2+]C2CCN(c3ccc(Cl)cc3)CC2)CC1 ZINC000130229723 654884600 /nfs/dbraw/zinc/88/46/00/654884600.db2.gz CBBPPCLMGBHHBC-UHFFFAOYSA-N 1 0 385.961 2.570 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH2+]CCn1cncn1 ZINC000065934209 654890748 /nfs/dbraw/zinc/89/07/48/654890748.db2.gz YWJJTIRRVZXLIA-UHFFFAOYSA-N 1 0 375.274 2.633 20 0 GFADRO C[NH+]1CCC(O)(CNC(=O)/C=C/c2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000266718963 654891206 /nfs/dbraw/zinc/89/12/06/654891206.db2.gz LPLLBGPRKSISAV-HWKANZROSA-N 1 0 376.806 2.945 20 0 GFADRO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(Cc2cc(F)cc(Br)c2)CC1 ZINC000131173480 654897591 /nfs/dbraw/zinc/89/75/91/654897591.db2.gz QWAXROTYFARGAI-INIZCTEOSA-N 1 0 384.293 2.502 20 0 GFADRO O=C(NCCCC[N@H+]1CCC[C@@H]1CO)[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000131497174 654908309 /nfs/dbraw/zinc/90/83/09/654908309.db2.gz RLVBXNWUDHVYBJ-FGTMMUONSA-N 1 0 395.341 2.906 20 0 GFADRO C[C@H](c1ccc([S@](C)=O)cc1)N(C)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000267134662 654912731 /nfs/dbraw/zinc/91/27/31/654912731.db2.gz DFMIZMWOUAYZIS-PJBSMNANSA-N 1 0 383.583 2.564 20 0 GFADRO C[NH+](C)[C@@]1(CNC(=O)C[C@@H]2Sc3ccc(Cl)cc3NC2=O)CCSC1 ZINC000267135001 654913002 /nfs/dbraw/zinc/91/30/02/654913002.db2.gz SLBNSBXYAUDHCS-WMLDXEAASA-N 1 0 399.969 2.696 20 0 GFADRO Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH2+]C[C@H]1CCCS1(=O)=O ZINC000131732582 654915638 /nfs/dbraw/zinc/91/56/38/654915638.db2.gz UVSXWOJDMLEOEB-MRXNPFEDSA-N 1 0 381.929 2.868 20 0 GFADRO C[NH+](C)[C@@]1(CNC(=O)N[C@H](c2nccs2)c2ccccc2)CCSC1 ZINC000267189796 654915851 /nfs/dbraw/zinc/91/58/51/654915851.db2.gz OHNYOZQHTCAKTH-MAUKXSAKSA-N 1 0 376.551 2.969 20 0 GFADRO O=C(CSCc1cscn1)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000131765438 654917161 /nfs/dbraw/zinc/91/71/61/654917161.db2.gz MOEUOCLWYCJTBC-UHFFFAOYSA-N 1 0 383.583 2.775 20 0 GFADRO [NH3+]C1CCC(NC(=O)[C@@H]2CCCN2C(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000131885502 654920611 /nfs/dbraw/zinc/92/06/11/654920611.db2.gz JRPBAGAKKZUUGN-ZUEPYMLJSA-N 1 0 384.307 2.984 20 0 GFADRO O=C(/C=C/c1ccc(Br)cc1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000267396335 654926680 /nfs/dbraw/zinc/92/66/80/654926680.db2.gz ROPNOQCNRAHSLN-GIZXNFQBSA-N 1 0 379.298 2.643 20 0 GFADRO O=C(Nc1ccc(Br)c(F)c1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000267476524 654930409 /nfs/dbraw/zinc/93/04/09/654930409.db2.gz QSBAOODJIDAMHA-GFCCVEGCSA-N 1 0 386.265 2.774 20 0 GFADRO COc1ccc(C[N@@H+]2CCCN(c3ncc(Br)cn3)CC2)cc1 ZINC000067348625 654936221 /nfs/dbraw/zinc/93/62/21/654936221.db2.gz QXMRPPBZJWCVQQ-UHFFFAOYSA-N 1 0 377.286 2.960 20 0 GFADRO C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@H]1CCNC(=O)C1 ZINC000132408696 654936913 /nfs/dbraw/zinc/93/69/13/654936913.db2.gz KZPYLLNIYSPXEA-AWEZNQCLSA-N 1 0 386.323 2.800 20 0 GFADRO Cc1ccc(NC(=O)C(=O)N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)cc1Br ZINC000067398106 654937900 /nfs/dbraw/zinc/93/79/00/654937900.db2.gz KLHWALSFPQPNMS-GXTWGEPZSA-N 1 0 396.329 2.933 20 0 GFADRO NC(=O)c1csc(C[NH2+][C@@H]2CCN(c3ccccc3Br)C2)c1 ZINC000132500171 654939259 /nfs/dbraw/zinc/93/92/59/654939259.db2.gz YJEQKSOCGSUDDT-GFCCVEGCSA-N 1 0 380.311 2.978 20 0 GFADRO CC[C@@H](C)[N@H+](C)CCNC(=O)N(C)C[C@H](O)c1ccccc1Br ZINC000838205755 661032429 /nfs/dbraw/zinc/03/24/29/661032429.db2.gz FEVBFMZLQHANFR-CJNGLKHVSA-N 1 0 386.334 2.854 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000067537462 654940531 /nfs/dbraw/zinc/94/05/31/654940531.db2.gz VCWQPNGIGRLHBE-OAHLLOKOSA-N 1 0 384.318 2.972 20 0 GFADRO CC(C)C[NH+]1CCC(NC(=O)CNC(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000067593375 654941695 /nfs/dbraw/zinc/94/16/95/654941695.db2.gz CIVGBJONBJRURA-UHFFFAOYSA-N 1 0 386.323 2.960 20 0 GFADRO Cc1c(Br)cccc1C[N@@H+](C)C1CCN(S(C)(=O)=O)CC1 ZINC000132576373 654942240 /nfs/dbraw/zinc/94/22/40/654942240.db2.gz RGNXGIYKKCZFOO-UHFFFAOYSA-N 1 0 375.332 2.613 20 0 GFADRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)NCCOc2cccc(Br)c2)C1 ZINC000067682638 654942777 /nfs/dbraw/zinc/94/27/77/654942777.db2.gz PLANBXBZFCMQTM-AWEZNQCLSA-N 1 0 384.318 2.857 20 0 GFADRO CC[N@H+](C)[C@@H](C(=O)Nc1cc(Br)cn(C)c1=O)c1ccccc1 ZINC000267739059 654944485 /nfs/dbraw/zinc/94/44/85/654944485.db2.gz YIAQQXLZALTBGJ-OAHLLOKOSA-N 1 0 378.270 2.779 20 0 GFADRO CC[N@H+](C)[C@H](C(=O)Nc1cc(Br)cn(C)c1=O)c1ccccc1 ZINC000267739056 654944560 /nfs/dbraw/zinc/94/45/60/654944560.db2.gz YIAQQXLZALTBGJ-HNNXBMFYSA-N 1 0 378.270 2.779 20 0 GFADRO CC[NH+](CC)CCN(C(=O)[C@H]1COCCO1)c1cccc(Br)c1 ZINC000067929430 654948518 /nfs/dbraw/zinc/94/85/18/654948518.db2.gz DCZDVQJAFALSRM-MRXNPFEDSA-N 1 0 385.302 2.539 20 0 GFADRO C[N@H+](CCO)C1CCN(S(=O)(=O)c2ccc(Cl)c3ccccc32)CC1 ZINC000268004071 654955552 /nfs/dbraw/zinc/95/55/52/654955552.db2.gz ONUDMQFRVDISEX-UHFFFAOYSA-N 1 0 382.913 2.570 20 0 GFADRO C[NH+](C)[C@]1(CNC(=O)c2c(F)cc(Br)cc2F)CCSC1 ZINC000268045872 654956959 /nfs/dbraw/zinc/95/69/59/654956959.db2.gz RZINCEJEFIHRPJ-AWEZNQCLSA-N 1 0 379.270 2.894 20 0 GFADRO Cc1c(C(=O)N2CCC[C@@H]2C[NH+](C)C)nnn1-c1cccc(Br)c1 ZINC000268087057 654958490 /nfs/dbraw/zinc/95/84/90/654958490.db2.gz FPCSPGSIWSLDIB-OAHLLOKOSA-N 1 0 392.301 2.504 20 0 GFADRO Cc1cc(Br)ccc1S(=O)(=O)NCCC1CC[NH+](C)CC1 ZINC000133299159 654959641 /nfs/dbraw/zinc/95/96/41/654959641.db2.gz QDYMXKBCXNLISI-UHFFFAOYSA-N 1 0 375.332 2.768 20 0 GFADRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1cc(F)ccc1I ZINC000268160819 654961085 /nfs/dbraw/zinc/96/10/85/654961085.db2.gz CTKUDLZCHISCHO-XPTSAGLGSA-N 1 0 388.224 2.643 20 0 GFADRO Cc1ccc(I)c(C(=O)N[C@H]2C[N@H+](C3CC3)C[C@@H]2C)c1 ZINC000268166072 654961587 /nfs/dbraw/zinc/96/15/87/654961587.db2.gz DMEYXNSNUSDZKV-NHYWBVRUSA-N 1 0 384.261 2.812 20 0 GFADRO CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)N[C@@H](C)CC[NH+](C)C ZINC000068474797 654963582 /nfs/dbraw/zinc/96/35/82/654963582.db2.gz ZNFJTFARIFBJRS-BBRMVZONSA-N 1 0 385.961 2.648 20 0 GFADRO CN(CC1CC[NH+](C)CC1)C(=O)c1c(F)cccc1I ZINC000268378117 654969254 /nfs/dbraw/zinc/96/92/54/654969254.db2.gz IMIJIZAVNOVNRB-UHFFFAOYSA-N 1 0 390.240 2.844 20 0 GFADRO CO[C@@H](CNC(=O)NC[C@H](c1ccc(SC)cc1)[NH+](C)C)C(F)(F)F ZINC000838472928 661047133 /nfs/dbraw/zinc/04/71/33/661047133.db2.gz XOIITSJNQJFIJA-KGLIPLIRSA-N 1 0 379.448 2.888 20 0 GFADRO O=C(c1ccc(Cl)cc1Br)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000268456885 654972739 /nfs/dbraw/zinc/97/27/39/654972739.db2.gz XVMUEKMFUWZFEC-LBPRGKRZSA-N 1 0 387.705 2.897 20 0 GFADRO C[C@H](CNS(=O)(=O)c1cc(Br)ccc1Cl)[N@H+](C)C1CC1 ZINC000069129006 654974319 /nfs/dbraw/zinc/97/43/19/654974319.db2.gz FFPDPACDVPASOF-SECBINFHSA-N 1 0 381.723 2.864 20 0 GFADRO Cc1ccc(Br)c(C(=O)N2CCN(CC[NH+]3CCCC3)CC2)c1 ZINC000268612276 654979758 /nfs/dbraw/zinc/97/97/58/654979758.db2.gz RVONIQUSLVRYEG-UHFFFAOYSA-N 1 0 380.330 2.611 20 0 GFADRO CC[C@@](C)(CC(=O)OC)[NH2+]CC(=O)N[C@@H](C)c1ccc(Br)cc1 ZINC000134089173 654982596 /nfs/dbraw/zinc/98/25/96/654982596.db2.gz YCFFCCXVPATBIY-SJCJKPOMSA-N 1 0 385.302 2.948 20 0 GFADRO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(F)c(I)c1 ZINC000134140882 654984571 /nfs/dbraw/zinc/98/45/71/654984571.db2.gz IHWSSWVKHXOBJW-SNVBAGLBSA-N 1 0 388.224 2.644 20 0 GFADRO O=C(c1ccc(Br)c(F)c1)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000069746246 654986082 /nfs/dbraw/zinc/98/60/82/654986082.db2.gz IBEYARGWACKALR-ZDUSSCGKSA-N 1 0 385.277 2.773 20 0 GFADRO CCCOc1c(Br)cc(C[NH2+]C[C@](C)(O)COC)cc1OC ZINC000069913019 654989147 /nfs/dbraw/zinc/98/91/47/654989147.db2.gz OFPHXIWINBMYKU-INIZCTEOSA-N 1 0 376.291 2.734 20 0 GFADRO COCCC[C@@H]([NH2+]C[C@@H]1CN(C)CCN1C)c1ccc(Br)cc1 ZINC000268906639 654990604 /nfs/dbraw/zinc/99/06/04/654990604.db2.gz MACYHHOKMWWKGC-QZTJIDSGSA-N 1 0 384.362 2.752 20 0 GFADRO [NH3+]CCC1CCN(S(=O)(=O)c2ccc(Br)cc2Cl)CC1 ZINC000070187957 654992369 /nfs/dbraw/zinc/99/23/69/654992369.db2.gz IRIHKGXCCIMNGM-UHFFFAOYSA-N 1 0 381.723 2.852 20 0 GFADRO C[NH+](C)CCN(Cc1ccco1)C(=O)Nc1nnc(CC(F)(F)F)s1 ZINC000268971490 654993530 /nfs/dbraw/zinc/99/35/30/654993530.db2.gz YXTGOESNWKENGW-UHFFFAOYSA-N 1 0 377.392 2.832 20 0 GFADRO C[NH+](C)CCCNc1cnn(-c2ccc(C(F)(F)F)cn2)c(=O)c1Cl ZINC000070789542 654995297 /nfs/dbraw/zinc/99/52/97/654995297.db2.gz OAFBVXLPFJIPCW-UHFFFAOYSA-N 1 0 375.782 2.663 20 0 GFADRO [NH3+]C1(C(=O)NCc2nnc3c(Cl)cc(C(F)(F)F)cn23)CCCCC1 ZINC000269031996 654995751 /nfs/dbraw/zinc/99/57/51/654995751.db2.gz JFFLCPHGTINDBG-UHFFFAOYSA-N 1 0 375.782 2.679 20 0 GFADRO CC(C)C[C@H](CNC(=O)c1ccc(Br)cc1-n1cncn1)[NH+](C)C ZINC000134582472 654996816 /nfs/dbraw/zinc/99/68/16/654996816.db2.gz ACYOAOIEJFZWQZ-CQSZACIVSA-N 1 0 394.317 2.736 20 0 GFADRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)NC[C@@]2(C)CC2(Cl)Cl)CC1 ZINC000838667531 661052550 /nfs/dbraw/zinc/05/25/50/661052550.db2.gz FQQHDMKZSSNCMR-BFYDXBDKSA-N 1 0 391.387 2.770 20 0 GFADRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)NC[C@]2(C)CC2(Cl)Cl)CC1 ZINC000838667543 661052647 /nfs/dbraw/zinc/05/26/47/661052647.db2.gz FQQHDMKZSSNCMR-UXLLHSPISA-N 1 0 391.387 2.770 20 0 GFADRO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)N1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000269236798 655002648 /nfs/dbraw/zinc/00/26/48/655002648.db2.gz WXRGZIAULDHAIR-ZANVPECISA-N 1 0 379.254 2.673 20 0 GFADRO CC[C@H](CO)[NH+]1CCN(C(=O)Nc2c(C)cc(C)cc2Br)CC1 ZINC000269279429 655004072 /nfs/dbraw/zinc/00/40/72/655004072.db2.gz PJLBICIUFUEKPK-CQSZACIVSA-N 1 0 384.318 2.986 20 0 GFADRO O=S(=O)(NCC1CC[NH+](Cc2ccccc2Cl)CC1)c1cccnc1 ZINC000078611359 655005009 /nfs/dbraw/zinc/00/50/09/655005009.db2.gz MWNVACDZENMTAA-UHFFFAOYSA-N 1 0 379.913 2.926 20 0 GFADRO CN(CCCN1CC[NH+](C)CC1)C(=O)c1cc(Br)ccc1Cl ZINC000078780666 655005245 /nfs/dbraw/zinc/00/52/45/655005245.db2.gz OJNIRCPGSUQHQQ-UHFFFAOYSA-N 1 0 388.737 2.812 20 0 GFADRO C[C@H]1C[C@@H](N(C)S(=O)(=O)c2cc(F)ccc2Br)CC[N@@H+]1C ZINC000269341649 655006431 /nfs/dbraw/zinc/00/64/31/655006431.db2.gz GKOGDNIMFGQNDD-JQWIXIFHSA-N 1 0 379.295 2.691 20 0 GFADRO C[NH+](C)C1CN(C(=O)CCc2ncc(-c3ccccc3Br)o2)C1 ZINC000134933879 655006501 /nfs/dbraw/zinc/00/65/01/655006501.db2.gz NOJKORBCENLNRY-UHFFFAOYSA-N 1 0 378.270 2.809 20 0 GFADRO C[N@@H+]1CCC[C@@H]2CN(S(=O)(=O)c3cc(F)ccc3Br)CC[C@@H]21 ZINC000269377986 655007728 /nfs/dbraw/zinc/00/77/28/655007728.db2.gz WGPQZNFAINSFEQ-RISCZKNCSA-N 1 0 391.306 2.693 20 0 GFADRO C[NH+](C)C1CN(C(=O)c2nn(-c3cccc(Br)c3)c3c2CCC3)C1 ZINC000135045155 655008271 /nfs/dbraw/zinc/00/82/71/655008271.db2.gz VVOWMLGNDCZCML-UHFFFAOYSA-N 1 0 389.297 2.510 20 0 GFADRO C[NH+](C)[C@H]1CCN(c2ccc(NC(=O)c3ccnc(Br)c3)nc2)C1 ZINC000269452171 655009763 /nfs/dbraw/zinc/00/97/63/655009763.db2.gz UILYYNDKGONRHH-AWEZNQCLSA-N 1 0 390.285 2.632 20 0 GFADRO CCn1cc(C[N@@H+]2CCC[C@H](C(=O)Nc3ccc(Br)cn3)C2)cn1 ZINC000091841666 655010280 /nfs/dbraw/zinc/01/02/80/655010280.db2.gz SXYMTEQVPZMYIM-AWEZNQCLSA-N 1 0 392.301 2.911 20 0 GFADRO O=C(Nc1ccc(Br)cn1)[C@H]1CCC[N@H+](CC2=CCCOC2)C1 ZINC000091842343 655010528 /nfs/dbraw/zinc/01/05/28/655010528.db2.gz VASHZHIMSQMUMP-AWEZNQCLSA-N 1 0 380.286 2.841 20 0 GFADRO CCC[C@H](C)[C@@H]1CCC[N@@H+]1CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl ZINC000135348256 655014074 /nfs/dbraw/zinc/01/40/74/655014074.db2.gz DTAFDNHDEXRLHQ-LRDDRELGSA-N 1 0 387.933 2.827 20 0 GFADRO COc1c(Cl)cc(Cl)cc1CN1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000092615748 655014955 /nfs/dbraw/zinc/01/49/55/655014955.db2.gz RQVDYCQKCWSPNH-UHFFFAOYSA-N 1 0 388.339 2.892 20 0 GFADRO C[N@@H+]1CCCC[C@H]1CN1CCN(Cc2cc(O)ccc2Br)CC1 ZINC000093147922 655017692 /nfs/dbraw/zinc/01/76/92/655017692.db2.gz YBGGBBARNPVHDV-INIZCTEOSA-N 1 0 382.346 2.757 20 0 GFADRO O=C(CC[N@@H+]1CCOC2(CCOCC2)C1)Nc1ccccc1Br ZINC000135592691 655021826 /nfs/dbraw/zinc/02/18/26/655021826.db2.gz WIKKIQVAAXXCPN-UHFFFAOYSA-N 1 0 383.286 2.659 20 0 GFADRO C[NH+](C)[C@H]1CC[C@@H](NC(=O)c2ccn(-c3cccc(Br)c3)n2)C1 ZINC000094003996 655025712 /nfs/dbraw/zinc/02/57/12/655025712.db2.gz VIZWSTPFAWNFFK-KGLIPLIRSA-N 1 0 377.286 2.847 20 0 GFADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2cnn3cc(Br)cnc23)C1 ZINC000094013468 655025946 /nfs/dbraw/zinc/02/59/46/655025946.db2.gz CITXBGHJCBVCNS-BETUJISGSA-N 1 0 394.317 2.590 20 0 GFADRO OC[C@@H](C[C@H](O)c1ccccc1)[NH2+]Cc1cc2c(cc1Br)OCO2 ZINC000269911314 655027007 /nfs/dbraw/zinc/02/70/07/655027007.db2.gz IKFFQKBKONLWLI-ZBFHGGJFSA-N 1 0 394.265 2.752 20 0 GFADRO O=C(NCCC[NH+]1CCC(O)CC1)c1ccc(Cl)c(Br)c1 ZINC000269945529 655028581 /nfs/dbraw/zinc/02/85/81/655028581.db2.gz FSHNCMRWUGRGCD-UHFFFAOYSA-N 1 0 375.694 2.679 20 0 GFADRO O=C(c1cnn2cc(Br)cnc12)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000094163986 655028971 /nfs/dbraw/zinc/02/89/71/655028971.db2.gz PNOZLULFTZUQTG-CQSZACIVSA-N 1 0 392.301 2.582 20 0 GFADRO CCC[N@@H+]1CC[C@H](CNC(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)C1 ZINC000097257745 655033881 /nfs/dbraw/zinc/03/38/81/655033881.db2.gz DOBZBPAMIGKEHD-GFCCVEGCSA-N 1 0 375.441 2.536 20 0 GFADRO CC(C)c1n[nH]c(C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)c1Br ZINC000136831560 655035676 /nfs/dbraw/zinc/03/56/76/655035676.db2.gz TVRCBQIUZSENCG-GFCCVEGCSA-N 1 0 399.333 2.526 20 0 GFADRO Cc1sc(Br)cc1S(=O)(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000097829595 655038193 /nfs/dbraw/zinc/03/81/93/655038193.db2.gz NSBDATHFBJYWLK-UHFFFAOYSA-N 1 0 387.324 2.901 20 0 GFADRO [NH3+][C@@H](CNC(=O)[C@H]1CCCN1c1ncc(C(F)(F)F)cc1Cl)C1CC1 ZINC000137346333 655039493 /nfs/dbraw/zinc/03/94/93/655039493.db2.gz KCFKRIYETLGAPE-QWHCGFSZSA-N 1 0 376.810 2.576 20 0 GFADRO Cc1cc(COc2ccc(C(=O)NC[C@H]([NH3+])C3CC3)cc2Br)no1 ZINC000137313507 655039627 /nfs/dbraw/zinc/03/96/27/655039627.db2.gz VJMKWDYFWUMHIX-HNNXBMFYSA-N 1 0 394.269 2.792 20 0 GFADRO [NH3+][C@@H](CNC(=O)[C@@H]1CCCN1c1ncc(C(F)(F)F)cc1Cl)C1CC1 ZINC000137346395 655039844 /nfs/dbraw/zinc/03/98/44/655039844.db2.gz KCFKRIYETLGAPE-STQMWFEESA-N 1 0 376.810 2.576 20 0 GFADRO CC(C)OCCOC[C@@H](O)C[N@H+](C)C[C@@H](O)c1ccc(Cl)cc1Cl ZINC000270344570 655041608 /nfs/dbraw/zinc/04/16/08/655041608.db2.gz RRUHIUPJIWEMLF-WMLDXEAASA-N 1 0 380.312 2.761 20 0 GFADRO C[NH+](C)CCN(Cc1ccc(F)cc1)S(=O)(=O)Cc1ccc(Cl)nc1 ZINC000101573435 655044649 /nfs/dbraw/zinc/04/46/49/655044649.db2.gz RWHFQRDXVJCHBD-UHFFFAOYSA-N 1 0 385.892 2.768 20 0 GFADRO CC[N@@H+]1CC[C@H](CNC(=O)C2(c3ccc(Br)cc3)CCOCC2)C1 ZINC000101689021 655046043 /nfs/dbraw/zinc/04/60/43/655046043.db2.gz SZKFFSONQTYHFR-OAHLLOKOSA-N 1 0 395.341 2.955 20 0 GFADRO CC(C)[N@H+](C)CCNC(=O)[C@H]1CCCN1C(=O)c1ccc(Br)cc1 ZINC000101956182 655049056 /nfs/dbraw/zinc/04/90/56/655049056.db2.gz CIVDUZVXJHROJQ-MRXNPFEDSA-N 1 0 396.329 2.510 20 0 GFADRO CC[N@H+](C)CCNC(=O)NC[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000101997540 655049648 /nfs/dbraw/zinc/04/96/48/655049648.db2.gz PHXZPAXZQBZFPF-CQSZACIVSA-N 1 0 383.334 2.526 20 0 GFADRO CC[NH+](CC)[C@@H]1CCN(S(=O)(=O)c2ccc(OC)c(Br)c2)C1 ZINC000102827336 655062025 /nfs/dbraw/zinc/06/20/25/655062025.db2.gz RCRPCGAPDKPPJL-GFCCVEGCSA-N 1 0 391.331 2.563 20 0 GFADRO O=C(CNC(=O)C[N@@H+]1CCC[C@H]1C1CCC1)Nc1ccccc1Br ZINC000102926238 655063703 /nfs/dbraw/zinc/06/37/03/655063703.db2.gz WXAYSIUPLOQNPO-INIZCTEOSA-N 1 0 394.313 2.768 20 0 GFADRO COc1cccc(NC(=[NH2+])NC[C@H](O)COc2ccccc2Br)c1 ZINC000153188246 655065197 /nfs/dbraw/zinc/06/51/97/655065197.db2.gz IVEJIMKCKAKZKR-ZDUSSCGKSA-N 1 0 394.269 2.624 20 0 GFADRO CS[C@H]1CN(C(=O)c2ccc(NC(=O)N(C)C)cc2Cl)C[C@H]1[NH+](C)C ZINC000271148054 655067924 /nfs/dbraw/zinc/06/79/24/655067924.db2.gz PXQZONMMAJLEIT-CABCVRRESA-N 1 0 384.933 2.551 20 0 GFADRO COc1cc(Br)c(C[NH+]2CCC(CCC(N)=O)CC2)cc1OC ZINC000271161647 655068442 /nfs/dbraw/zinc/06/84/42/655068442.db2.gz KHXYIJRCFFAJCW-UHFFFAOYSA-N 1 0 385.302 2.944 20 0 GFADRO O=C(C[NH+]1CCCC1)N1CCN(C(=O)Nc2cc(Cl)cc(Cl)c2)CC1 ZINC000103232086 655069647 /nfs/dbraw/zinc/06/96/47/655069647.db2.gz XORSAXRXHZIUEF-UHFFFAOYSA-N 1 0 385.295 2.765 20 0 GFADRO C[C@@H]1CCC[C@@H](C)[NH+]1CC(=O)NCC(=O)Nc1ccccc1Br ZINC000104077704 655078344 /nfs/dbraw/zinc/07/83/44/655078344.db2.gz LCWUPFPFWDHGBI-CHWSQXEVSA-N 1 0 382.302 2.767 20 0 GFADRO C[NH+](C)Cc1ccc(C(=O)N[C@@H](CO)c2ccc(Br)cc2)cc1 ZINC000271393635 655079398 /nfs/dbraw/zinc/07/93/98/655079398.db2.gz ZHRQHVHORUDMDI-KRWDZBQOSA-N 1 0 377.282 2.974 20 0 GFADRO C[C@@H]([NH2+]CCCOC1CCOCC1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000271444311 655081529 /nfs/dbraw/zinc/08/15/29/655081529.db2.gz DVFJLEYXGOSGTL-CYBMUJFWSA-N 1 0 377.453 2.919 20 0 GFADRO O=C(CN1CCCc2cc(Br)ccc21)NC1CC[NH+](C2CC2)CC1 ZINC000104675653 655083782 /nfs/dbraw/zinc/08/37/82/655083782.db2.gz VFYSUOIHOOAKQG-UHFFFAOYSA-N 1 0 392.341 2.945 20 0 GFADRO O=C1CCCN1C1CC[NH+](C[C@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000104730770 655084691 /nfs/dbraw/zinc/08/46/91/655084691.db2.gz GAMUXCRIZOFLEF-HNNXBMFYSA-N 1 0 387.307 2.820 20 0 GFADRO COc1cc[nH+]c(N2CCN(S(=O)(=O)c3cccc(Cl)c3C)CC2)c1 ZINC000104749244 655085561 /nfs/dbraw/zinc/08/55/61/655085561.db2.gz MFYLOXJLEHOTFA-UHFFFAOYSA-N 1 0 381.885 2.563 20 0 GFADRO CC[N@@H+]1CCC[C@H](CNC(=O)NCCOc2cccc(Br)c2)C1 ZINC000105172462 655089488 /nfs/dbraw/zinc/08/94/88/655089488.db2.gz CDZUTTCIESGVMF-CQSZACIVSA-N 1 0 384.318 2.859 20 0 GFADRO CCn1c(SCC(=O)N2CCC[C@@H]([NH+](C)C)C2)nnc1-c1cccs1 ZINC000105325241 655090788 /nfs/dbraw/zinc/09/07/88/655090788.db2.gz LZFNNEYVJNEVGI-CYBMUJFWSA-N 1 0 379.555 2.671 20 0 GFADRO COc1cc(Cl)c(S(=O)(=O)N2CC[C@H]([NH+]3CCCC3)C2)cc1Cl ZINC000105620416 655096314 /nfs/dbraw/zinc/09/63/14/655096314.db2.gz VZTGFZHXGGPESG-NSHDSACASA-N 1 0 379.309 2.861 20 0 GFADRO CNC(=O)CCC[N@H+](C)Cn1cc(Br)c(-c2ccc(F)cc2)n1 ZINC000156990229 655097833 /nfs/dbraw/zinc/09/78/33/655097833.db2.gz QLIWVVPFSCYTST-UHFFFAOYSA-N 1 0 383.265 2.867 20 0 GFADRO Cn1cc(CC[NH2+]C2CCN(Cc3ccccc3Br)CC2)cn1 ZINC000271896183 655098156 /nfs/dbraw/zinc/09/81/56/655098156.db2.gz XCLYEQONKYJLKD-UHFFFAOYSA-N 1 0 377.330 2.979 20 0 GFADRO O=S1(=O)CC[C@]2(C1)C[C@@H]([NH2+]Cc1ccc(F)cc1C(F)(F)F)CCO2 ZINC000271920407 655098687 /nfs/dbraw/zinc/09/86/87/655098687.db2.gz BWWGHQDXUUHIRY-DZGCQCFKSA-N 1 0 381.391 2.670 20 0 GFADRO COCC[N@@H+](Cc1c(C)nn(C)c1C)C[C@H](O)c1ccc(Br)cc1 ZINC000839124538 661072652 /nfs/dbraw/zinc/07/26/52/661072652.db2.gz ZVWBJGBBSFOJRD-SFHVURJKSA-N 1 0 396.329 2.981 20 0 GFADRO COc1c(Cl)cc(Cl)cc1C[NH2+][C@@H]1CCO[C@]2(CCS(=O)(=O)C2)C1 ZINC000271984062 655099991 /nfs/dbraw/zinc/09/99/91/655099991.db2.gz KCNLUDFXLRATDM-CZUORRHYSA-N 1 0 394.320 2.828 20 0 GFADRO O=S1(=O)CC[C@]2(C1)C[C@H]([NH2+]Cc1cc(F)cc(C(F)(F)F)c1)CCO2 ZINC000271986720 655100264 /nfs/dbraw/zinc/10/02/64/655100264.db2.gz KLDHEXSUMLJIBA-HUUCEWRRSA-N 1 0 381.391 2.670 20 0 GFADRO C[NH+]1CCC([C@@H]2CCN(S(=O)(=O)c3c(Cl)ccnc3Cl)C2)CC1 ZINC000272169286 655104747 /nfs/dbraw/zinc/10/47/47/655104747.db2.gz PODYNAJJMQKVIG-GFCCVEGCSA-N 1 0 378.325 2.741 20 0 GFADRO COc1ccc(OC(F)F)c(NC(=O)N2C[C@@H](SC)[C@@H]([NH+](C)C)C2)c1 ZINC000272333330 655109271 /nfs/dbraw/zinc/10/92/71/655109271.db2.gz KTWVYJAFYWQCHQ-GXTWGEPZSA-N 1 0 375.441 2.806 20 0 GFADRO O=C(NC1CC[NH+](C2CC2)CC1)c1ccn(-c2cccc(Br)c2)n1 ZINC000106734310 655110350 /nfs/dbraw/zinc/11/03/50/655110350.db2.gz TURPGPNMROTLTP-UHFFFAOYSA-N 1 0 389.297 2.991 20 0 GFADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)c3csc(-c4cccs4)n3)C2)CC1 ZINC000106805149 655111413 /nfs/dbraw/zinc/11/14/13/655111413.db2.gz LKEGCEUUJHKODD-CQSZACIVSA-N 1 0 376.551 2.724 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000106962573 655115812 /nfs/dbraw/zinc/11/58/12/655115812.db2.gz IVLHNUZDIXQINX-CQSZACIVSA-N 1 0 394.313 2.829 20 0 GFADRO C[NH+]1CCC(C)(CNC(=O)Nc2cccc(S(=O)(=O)C(F)F)c2)CC1 ZINC000272587593 655116648 /nfs/dbraw/zinc/11/66/48/655116648.db2.gz VCPBGIGBQHXNGL-UHFFFAOYSA-N 1 0 375.441 2.536 20 0 GFADRO CCO[C@@H]1C[C@H]([NH2+]Cc2cc(Br)c(O)c(OC)c2)[C@]12CCCO2 ZINC000272649319 655117962 /nfs/dbraw/zinc/11/79/62/655117962.db2.gz FAGQHIWLXDBHAX-ZMSDIMECSA-N 1 0 386.286 2.980 20 0 GFADRO C[C@H]([NH2+]CCOc1cccc(Br)c1)c1cccc(S(N)(=O)=O)c1 ZINC000272664754 655118357 /nfs/dbraw/zinc/11/83/57/655118357.db2.gz ITYOMDUCPDQOSQ-LBPRGKRZSA-N 1 0 399.310 2.826 20 0 GFADRO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)c2ccc(Br)c(F)c2)CC1 ZINC000107282256 655119532 /nfs/dbraw/zinc/11/95/32/655119532.db2.gz JCFIGCCQDKVYMF-OAHLLOKOSA-N 1 0 398.320 2.830 20 0 GFADRO CC[N@H+](CCNS(C)(=O)=O)[C@@H]1CCSc2ccc(Br)cc21 ZINC000107367887 655120357 /nfs/dbraw/zinc/12/03/57/655120357.db2.gz WLGYZRDPCAMVEQ-CYBMUJFWSA-N 1 0 393.372 2.857 20 0 GFADRO O=C(Nc1cccc(Br)c1)C(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000107874077 655125636 /nfs/dbraw/zinc/12/56/36/655125636.db2.gz PNZUIUBXQXZHRC-MRXNPFEDSA-N 1 0 394.313 2.865 20 0 GFADRO OC[C@H]([NH2+]C[C@@H](O)COc1ccc(F)cc1)c1ccc(Br)cc1 ZINC000272971880 655126927 /nfs/dbraw/zinc/12/69/27/655126927.db2.gz CHFPDFHJDYJINZ-WBVHZDCISA-N 1 0 384.245 2.651 20 0 GFADRO COc1ccc([C@H](C)[NH2+]C2CCN(S(=O)(=O)C(F)(F)F)CC2)cc1C ZINC000273003446 655127623 /nfs/dbraw/zinc/12/76/23/655127623.db2.gz XZLOSXRGUJXMAR-LBPRGKRZSA-N 1 0 380.432 2.968 20 0 GFADRO C[C@H]1CCC[N@H+](CCCCNC(=O)c2sccc2S(=O)(=O)C(F)F)C1 ZINC000108258744 655129958 /nfs/dbraw/zinc/12/99/58/655129958.db2.gz BNAONOXBEJYSMZ-LBPRGKRZSA-N 1 0 394.509 2.986 20 0 GFADRO Cn1ncc(C(=O)N(Cc2ccco2)C2CC[NH+](C)CC2)c1Br ZINC000273158838 655132894 /nfs/dbraw/zinc/13/28/94/655132894.db2.gz BJCQRYXZHMPESG-UHFFFAOYSA-N 1 0 381.274 2.512 20 0 GFADRO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(C(=O)c2ccc(Cl)s2)CC1 ZINC000108465087 655133142 /nfs/dbraw/zinc/13/31/42/655133142.db2.gz MGMMOFCCINVHQM-UHFFFAOYSA-N 1 0 385.961 2.958 20 0 GFADRO Cc1ccc([C@H]([NH2+][C@@H](C)C[S@@](C)=O)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000273180866 655133938 /nfs/dbraw/zinc/13/39/38/655133938.db2.gz DZJYJTKZDYZQEF-QJQUAVMFSA-N 1 0 379.547 2.845 20 0 GFADRO Cn1ncc(C(=O)N(CC[NH+](C)C)Cc2ccccc2F)c1Br ZINC000273298499 655138676 /nfs/dbraw/zinc/13/86/76/655138676.db2.gz ZFCNZCJZPLYSKK-UHFFFAOYSA-N 1 0 383.265 2.526 20 0 GFADRO COC(=O)c1nn(CN2CC[NH+](C3CCCCC3)CC2)c(C)c1Br ZINC000165223088 655139735 /nfs/dbraw/zinc/13/97/35/655139735.db2.gz ZHKGQDBJPPSRNE-UHFFFAOYSA-N 1 0 399.333 2.648 20 0 GFADRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)c3cc(-c4ccc(Br)cc4)n[nH]3)C[C@H]12 ZINC000273479146 655144629 /nfs/dbraw/zinc/14/46/29/655144629.db2.gz SCBULBILLGGKRL-KWCYVHTRSA-N 1 0 375.270 2.649 20 0 GFADRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)c3cc(-c4ccc(Br)cc4)n[nH]3)C[C@@H]12 ZINC000273479148 655145014 /nfs/dbraw/zinc/14/50/14/655145014.db2.gz SCBULBILLGGKRL-MRVWCRGKSA-N 1 0 375.270 2.649 20 0 GFADRO Nc1c(Cl)cc(NC(=O)C(=O)N2CC[NH+](C3CCCC3)CC2)cc1Cl ZINC000839467856 661085539 /nfs/dbraw/zinc/08/55/39/661085539.db2.gz URLPHGGMOAPCNY-UHFFFAOYSA-N 1 0 385.295 2.601 20 0 GFADRO CSCc1cccc(NC(=O)C(=O)NC[C@@H](c2cccs2)[NH+](C)C)c1 ZINC000109407861 655146201 /nfs/dbraw/zinc/14/62/01/655146201.db2.gz MMJVODYWRBBSIR-HNNXBMFYSA-N 1 0 377.535 2.969 20 0 GFADRO CN(C)C(NCCS(=O)(=O)c1ccc(Cl)cc1)=[NH+]Cc1ccccc1 ZINC000170904895 655147060 /nfs/dbraw/zinc/14/70/60/655147060.db2.gz WOHKRJRVFHFGBO-UHFFFAOYSA-N 1 0 379.913 2.821 20 0 GFADRO CC(C)(C[NH2+]Cc1cc(O)ccc1Br)[C@@H]1COCC12OCCO2 ZINC000839172537 661074331 /nfs/dbraw/zinc/07/43/31/661074331.db2.gz JZENIWBPQQFELZ-HNNXBMFYSA-N 1 0 386.286 2.660 20 0 GFADRO CC[NH+]1CCN(CCCNC(=O)[C@@H]2C[C@H]2c2ccc(Br)cc2)CC1 ZINC000109827647 655153027 /nfs/dbraw/zinc/15/30/27/655153027.db2.gz IXNRBXWMOBCMNF-ZWKOTPCHSA-N 1 0 394.357 2.696 20 0 GFADRO O=C(NCC1([NH+]2CCCCC2)CCOCC1)c1cncc(Br)c1 ZINC000109982236 655154646 /nfs/dbraw/zinc/15/46/46/655154646.db2.gz GRTRSTOCOSCWTJ-UHFFFAOYSA-N 1 0 382.302 2.609 20 0 GFADRO Brc1cccc2c1cnn2CN1CCC(C[NH+]2CCOCC2)CC1 ZINC000110098345 655155083 /nfs/dbraw/zinc/15/50/83/655155083.db2.gz KJOCLHWEZZRDPD-UHFFFAOYSA-N 1 0 393.329 2.801 20 0 GFADRO Cn1nc(Br)c2c1ncnc2NC[C@H](Cc1ccccc1)[NH+](C)C ZINC000110848331 655160447 /nfs/dbraw/zinc/16/04/47/655160447.db2.gz YNMATROBTQGPSS-ZDUSSCGKSA-N 1 0 389.301 2.711 20 0 GFADRO CC[C@@H](C)[C@H](NC(=O)C[NH2+]C1(c2ccc(Br)cc2)CC1)C(=O)OC ZINC000173273849 655166277 /nfs/dbraw/zinc/16/62/77/655166277.db2.gz ILWOTTUHNMZVGQ-WBMJQRKESA-N 1 0 397.313 2.732 20 0 GFADRO CC(=O)Nc1cc(F)c(S(=O)(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1Cl ZINC000173274460 655166574 /nfs/dbraw/zinc/16/65/74/655166574.db2.gz LCQIYQOPCWSLMM-PWSUYJOCSA-N 1 0 391.896 2.541 20 0 GFADRO C[C@H]1C[C@@H](N(C)S(=O)(=O)c2cc(Br)c(F)cc2F)CC[N@@H+]1C ZINC000173279068 655167168 /nfs/dbraw/zinc/16/71/68/655167168.db2.gz PIXICEBBDPNWQA-UWVGGRQHSA-N 1 0 397.285 2.831 20 0 GFADRO CN1CC[NH+]([C@@H]2CCCCN(C(=O)Cc3ccc(Br)cc3)C2)CC1 ZINC000173286476 655167414 /nfs/dbraw/zinc/16/74/14/655167414.db2.gz MOTPXCJLSFGWFW-GOSISDBHSA-N 1 0 394.357 2.620 20 0 GFADRO CN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)CC[N@H+](C)CC2CCC2)c1 ZINC000111297611 655168296 /nfs/dbraw/zinc/16/82/96/655168296.db2.gz XUCQHMHGJUWWDZ-UHFFFAOYSA-N 1 0 387.933 2.651 20 0 GFADRO O[C@H](COc1ccc(Cl)cc1Br)C[N@H+]1[C@@H]2CC[C@H]1CC(O)C2 ZINC000111313545 655168588 /nfs/dbraw/zinc/16/85/88/655168588.db2.gz SRHJDPDMCYUCSZ-PIGZVRMJSA-N 1 0 390.705 2.830 20 0 GFADRO Cc1ccc([C@H](CNC(=O)c2c[nH]c(=O)c(Br)c2)[NH+]2CCCC2)o1 ZINC000173406987 655170288 /nfs/dbraw/zinc/17/02/88/655170288.db2.gz SJXRPGLPHQGZBK-AWEZNQCLSA-N 1 0 394.269 2.606 20 0 GFADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)N(C)Cc1ccc(Br)s1 ZINC000111865998 655178224 /nfs/dbraw/zinc/17/82/24/655178224.db2.gz DKWNIWNOGCNRPO-GFCCVEGCSA-N 1 0 390.347 2.763 20 0 GFADRO C[NH+](C)[C@H]1CCCN(C(=O)N[C@@H]2CCN(c3ccccc3Br)C2)C1 ZINC000111896771 655178828 /nfs/dbraw/zinc/17/88/28/655178828.db2.gz SLADOLCNMGDKFB-CABCVRRESA-N 1 0 395.345 2.763 20 0 GFADRO C[NH+](C)C[C@@H]1CCN(C(=O)CCNc2ncc(C(F)(F)F)cc2Cl)C1 ZINC000173746731 655179449 /nfs/dbraw/zinc/17/94/49/655179449.db2.gz FSEKCRAHQYXNIZ-NSHDSACASA-N 1 0 378.826 2.966 20 0 GFADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc(S(=O)(=O)CC)ccc2Cl)C1 ZINC000173810036 655181835 /nfs/dbraw/zinc/18/18/35/655181835.db2.gz BIOFMLUEGICBCA-AWEZNQCLSA-N 1 0 386.945 2.938 20 0 GFADRO CC[NH+](CC)[C@H]1CCN(S(=O)(=O)c2ccc(Br)c(F)c2)C1 ZINC000173995665 655188869 /nfs/dbraw/zinc/18/88/69/655188869.db2.gz GOCCBRFGJZMUKX-NSHDSACASA-N 1 0 379.295 2.693 20 0 GFADRO CN(C)C(=O)[C@H]1CC[N@H+](C[C@](C)(O)c2ccc(Br)cc2Cl)C1 ZINC000839636396 661097252 /nfs/dbraw/zinc/09/72/52/661097252.db2.gz QSNAGYYJVWQDTD-ZBEGNZNMSA-N 1 0 389.721 2.720 20 0 GFADRO Cc1cc(NC(=O)CC[N@@H+](C)C[C@@H](O)c2cccc(Br)c2)no1 ZINC000839635601 661097422 /nfs/dbraw/zinc/09/74/22/661097422.db2.gz JAFXVAKLYUYCHV-CQSZACIVSA-N 1 0 382.258 2.740 20 0 GFADRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)c1csc(I)c1 ZINC000113425595 655210459 /nfs/dbraw/zinc/21/04/59/655210459.db2.gz VXQXGEYDICVEQQ-WDEREUQCSA-N 1 0 376.263 2.709 20 0 GFADRO CC[NH+]1CCC(NS(=O)(=O)c2cc(Cl)ccc2OCCCOC)CC1 ZINC000274594524 655194077 /nfs/dbraw/zinc/19/40/77/655194077.db2.gz BVLXMSPVJOZINN-UHFFFAOYSA-N 1 0 390.933 2.518 20 0 GFADRO NC(=O)[C@@H]1C[N@H+](C[C@H](O)c2cccc(Br)c2)C[C@H]1c1ccccc1 ZINC000839641087 661098016 /nfs/dbraw/zinc/09/80/16/661098016.db2.gz QBMLOHOUUSVCHS-KSZLIROESA-N 1 0 389.293 2.683 20 0 GFADRO C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)CNC(=O)c1ccc(Cl)c(Cl)c1)C2 ZINC000174244955 655194863 /nfs/dbraw/zinc/19/48/63/655194863.db2.gz ANAYZOIXVSUWJQ-AGUYFDCRSA-N 1 0 384.307 2.855 20 0 GFADRO C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)c1cc(Br)c3c(c1)OCCO3)C2 ZINC000174252800 655195445 /nfs/dbraw/zinc/19/54/45/655195445.db2.gz DERCXIJSOPTACN-AGUYFDCRSA-N 1 0 395.297 2.965 20 0 GFADRO CC(C)OC(=O)N1CCC([NH2+][C@@H](C(N)=O)c2ccc(Br)cc2)CC1 ZINC000112708862 655196081 /nfs/dbraw/zinc/19/60/81/655196081.db2.gz DSFOQYLFICBVRO-OAHLLOKOSA-N 1 0 398.301 2.575 20 0 GFADRO Cn1ncc(C(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)c1Br ZINC000274672902 655196726 /nfs/dbraw/zinc/19/67/26/655196726.db2.gz IAEJMOOJYQERDD-UHFFFAOYSA-N 1 0 391.313 2.919 20 0 GFADRO NC(=O)[C@@H](N[C@H]1CC[N@H+](CC2CCCC2)C1)c1ccc(Br)cc1F ZINC000174318470 655198812 /nfs/dbraw/zinc/19/88/12/655198812.db2.gz PPKSFSFWCJXBOM-YOEHRIQHSA-N 1 0 398.320 2.969 20 0 GFADRO C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]CCCCCS(C)(=O)=O ZINC000274764462 655200486 /nfs/dbraw/zinc/20/04/86/655200486.db2.gz FNALGKPNZNEVTN-OAHLLOKOSA-N 1 0 388.961 2.882 20 0 GFADRO Cc1ncccc1C[NH2+]CCc1ccc(S(=O)(=O)N2CCCCC2)s1 ZINC000174601794 655205010 /nfs/dbraw/zinc/20/50/10/655205010.db2.gz OSEUEIQTMLSSLX-UHFFFAOYSA-N 1 0 379.551 2.958 20 0 GFADRO C[NH+](C)[C@@H]1CCCN(c2ncnc3ccc(I)cc32)C1 ZINC000174723375 655206613 /nfs/dbraw/zinc/20/66/13/655206613.db2.gz OMQDGERICDWYLU-GFCCVEGCSA-N 1 0 382.249 2.765 20 0 GFADRO C[NH+](C)C[C@@H]1CCN(C(=O)c2cc(Cl)ccc2I)C1 ZINC000113458128 655210895 /nfs/dbraw/zinc/21/08/95/655210895.db2.gz MFHYVHBWXCUSBC-JTQLQIEISA-N 1 0 392.668 2.968 20 0 GFADRO CS(=O)(=O)CC1(C[NH2+]Cc2cc(Br)ccc2OC(F)F)CC1 ZINC000174941500 655210946 /nfs/dbraw/zinc/21/09/46/655210946.db2.gz FWXJPZKDZAEAPD-UHFFFAOYSA-N 1 0 398.269 2.965 20 0 GFADRO CC[NH+](CC)[C@@H](CNC(=O)c1c(C)[nH]c(=O)nc1SC)c1ccsc1 ZINC000174989275 655211595 /nfs/dbraw/zinc/21/15/95/655211595.db2.gz KKVYLUUZDLNQMN-ZDUSSCGKSA-N 1 0 380.539 2.675 20 0 GFADRO CS[C@H]1CN(CCCS(=O)(=O)c2cccc(C)c2)C[C@@H]1[NH+]1CCCC1 ZINC000275038734 655213265 /nfs/dbraw/zinc/21/32/65/655213265.db2.gz GSEXVJBYPJIELB-OALUTQOASA-N 1 0 382.595 2.670 20 0 GFADRO C[NH+](C)CCN(Cc1ccco1)C(=O)C(=O)c1ccc(Br)s1 ZINC000839701208 661100588 /nfs/dbraw/zinc/10/05/88/661100588.db2.gz OIKLSDIEBBGKKZ-UHFFFAOYSA-N 1 0 385.283 2.877 20 0 GFADRO CC[NH+](CC)[C@@H]1CCN(S(=O)(=O)c2ccc(Br)c(OC)c2)C1 ZINC000175316286 655220112 /nfs/dbraw/zinc/22/01/12/655220112.db2.gz MGIFPIMHXGGIGZ-GFCCVEGCSA-N 1 0 391.331 2.563 20 0 GFADRO CC[N@H+](CCC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1Cl)CC(C)C ZINC000114725452 655227772 /nfs/dbraw/zinc/22/77/72/655227772.db2.gz LWNHBAUBWXUPCO-UHFFFAOYSA-N 1 0 389.949 2.897 20 0 GFADRO COCC[N@H+](C)CCNC(=O)CCc1cc(Cl)ccc1Br ZINC000176039770 655232793 /nfs/dbraw/zinc/23/27/93/655232793.db2.gz ZHOQLPWMDKFGFJ-UHFFFAOYSA-N 1 0 377.710 2.730 20 0 GFADRO CC(C)[C@H](CC(F)(F)F)[NH2+]CC(=O)Nc1sc2c(c1C(N)=O)CCC2 ZINC000839574323 661092876 /nfs/dbraw/zinc/09/28/76/661092876.db2.gz LIXWHJKSQASARR-JTQLQIEISA-N 1 0 377.432 2.841 20 0 GFADRO CN(C[C@@H]1CCC[N@H+](C)C1)S(=O)(=O)c1ccc(F)cc1Br ZINC000115585942 655239622 /nfs/dbraw/zinc/23/96/22/655239622.db2.gz ZLJAJXHFXFJOBV-LLVKDONJSA-N 1 0 379.295 2.551 20 0 GFADRO Cc1cc(Br)c(NC(=O)NCC2(O)CC[NH+](C)CC2)cc1Cl ZINC000275542305 655240963 /nfs/dbraw/zinc/24/09/63/655240963.db2.gz ANFIHQAKIARLMX-UHFFFAOYSA-N 1 0 390.709 2.989 20 0 GFADRO CSc1nnc(CNC(=O)NC[C@@H](C)[N@@H+]2CCc3ccccc3C2)s1 ZINC000275632787 655244951 /nfs/dbraw/zinc/24/49/51/655244951.db2.gz QVASIIRTVPJMDE-GFCCVEGCSA-N 1 0 377.539 2.506 20 0 GFADRO CN1CCC([NH+]2CCC(NC(=O)Nc3ccncc3Br)CC2)CC1 ZINC000275646122 655245448 /nfs/dbraw/zinc/24/54/48/655245448.db2.gz MWERXRJUWBDDDG-UHFFFAOYSA-N 1 0 396.333 2.524 20 0 GFADRO Cn1ccnc1[C@H]1OCCC[C@@H]1[NH2+]Cc1cc2c(cc1Br)OCO2 ZINC000275669152 655246603 /nfs/dbraw/zinc/24/66/03/655246603.db2.gz VLMAYYATRIVLHH-BBRMVZONSA-N 1 0 394.269 2.921 20 0 GFADRO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)c1cc(Br)cn1C ZINC000116468745 655248473 /nfs/dbraw/zinc/24/84/73/655248473.db2.gz LHFKGPQSRJQMQF-BBRMVZONSA-N 1 0 391.313 2.823 20 0 GFADRO O=C(NCC1(C[NH+]2CCOCC2)CCCCC1)c1cc(Br)c[nH]1 ZINC000176517822 655248977 /nfs/dbraw/zinc/24/89/77/655248977.db2.gz OZOIGRLVNJUWTJ-UHFFFAOYSA-N 1 0 384.318 2.790 20 0 GFADRO C[NH+](C)C(C)(C)CNC(=O)CCC[S@](=O)c1ccc(Br)cc1 ZINC000116716371 655252470 /nfs/dbraw/zinc/25/24/70/655252470.db2.gz XZDNQFIOVMVBDG-JOCHJYFZSA-N 1 0 389.359 2.793 20 0 GFADRO COCCOC1CC[NH+](CCC(=O)Nc2ccc(Br)cc2)CC1 ZINC000116885385 655255380 /nfs/dbraw/zinc/25/53/80/655255380.db2.gz BGEMTMIQYADXIT-UHFFFAOYSA-N 1 0 385.302 2.905 20 0 GFADRO Cc1cc(S(=O)(=O)N2CCC([NH+](C)C)CC2)c(C)cc1Br ZINC000116897627 655255574 /nfs/dbraw/zinc/25/55/74/655255574.db2.gz JOZHCIMVTXARTO-UHFFFAOYSA-N 1 0 375.332 2.781 20 0 GFADRO Cc1nc(C)c(S(=O)(=O)N(CCCc2ccccc2)CC[NH+](C)C)s1 ZINC000176846006 655258089 /nfs/dbraw/zinc/25/80/89/655258089.db2.gz SXIPOAPQCVPHKL-UHFFFAOYSA-N 1 0 381.567 2.945 20 0 GFADRO Cc1cc(S(=O)(=O)N(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)sc1Br ZINC000176935917 655262613 /nfs/dbraw/zinc/26/26/13/655262613.db2.gz KFPVJYMGIGJKOL-QWRGUYRKSA-N 1 0 381.361 2.780 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000276107273 655262783 /nfs/dbraw/zinc/26/27/83/655262783.db2.gz RBCIIOAHKWJDHJ-DOMZBBRYSA-N 1 0 396.329 2.891 20 0 GFADRO CC1(C)NC(=O)N(CCC[N@@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)C1=O ZINC000117351644 655264418 /nfs/dbraw/zinc/26/44/18/655264418.db2.gz QJWHDWGPIZWJFQ-UHFFFAOYSA-N 1 0 375.313 2.524 20 0 GFADRO Cc1csc(C(=O)NCC2([NH+](C)C)CCC2)c1I ZINC000276225547 655267907 /nfs/dbraw/zinc/26/79/07/655267907.db2.gz MOSQUXSEVJRKGZ-UHFFFAOYSA-N 1 0 378.279 2.875 20 0 GFADRO CCOC(=O)Cc1csc(NC(=O)C[NH2+][C@H]2CCCC[C@@H]2SCC)n1 ZINC000276261624 655269338 /nfs/dbraw/zinc/26/93/38/655269338.db2.gz RFAWJIFQVQFSKL-KBPBESRZSA-N 1 0 385.555 2.841 20 0 GFADRO COC(=O)[C@]1(C)CC[N@H+](CCC(=O)Nc2ccc(Br)cc2F)C1 ZINC000177430746 655276835 /nfs/dbraw/zinc/27/68/35/655276835.db2.gz XKIAUTVFOYMKMM-MRXNPFEDSA-N 1 0 387.249 2.802 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)c2cc(=O)[nH]c3ccc(Br)cc32)C1 ZINC000177573091 655281924 /nfs/dbraw/zinc/28/19/24/655281924.db2.gz RJUDWYPDJFVHCO-QWHCGFSZSA-N 1 0 392.297 2.893 20 0 GFADRO C[C@H](CNC(=O)C(=O)Nc1ccc(Br)cc1)C[NH+]1CCCCC1 ZINC000118895891 655282997 /nfs/dbraw/zinc/28/29/97/655282997.db2.gz BDNKVQIQMRMWRM-CYBMUJFWSA-N 1 0 382.302 2.626 20 0 GFADRO OCC[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000276680625 655283411 /nfs/dbraw/zinc/28/34/11/655283411.db2.gz LQOCIFMJBPRYTE-PBHICJAKSA-N 1 0 383.330 2.926 20 0 GFADRO Cn1cc([C@H]2CSCCN2C(=O)NC[C@H](c2ccsc2)[NH+](C)C)cn1 ZINC000276693961 655284046 /nfs/dbraw/zinc/28/40/46/655284046.db2.gz VSXJPSVHPOYNBT-HZPDHXFCSA-N 1 0 379.555 2.584 20 0 GFADRO O=C(/C=C/c1ccc(Cl)s1)NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000177775727 655288319 /nfs/dbraw/zinc/28/83/19/655288319.db2.gz LQFMDQKMLLWHET-IQIBNGDESA-N 1 0 376.909 2.950 20 0 GFADRO CCS(=O)(=O)NCC[NH2+][C@@H](C)c1sc(-c2ccc(OC)cc2)nc1C ZINC000177804368 655288913 /nfs/dbraw/zinc/28/89/13/655288913.db2.gz NHKZEQBBOTWIRV-LBPRGKRZSA-N 1 0 383.539 2.717 20 0 GFADRO C[C@H](C[NH2+][C@]1(CNC(=O)OC(C)(C)C)CCCC[C@@H]1C)CS(C)(=O)=O ZINC000119076105 655289136 /nfs/dbraw/zinc/28/91/36/655289136.db2.gz RPUBAIYNQDKAMY-VKJFTORMSA-N 1 0 376.563 2.730 20 0 GFADRO O=C(NCCC[NH+]1CCCCC1)N[C@H](CO)c1cccc(Br)c1 ZINC000177891135 655290423 /nfs/dbraw/zinc/29/04/23/655290423.db2.gz GNPYKIWQVGRVFX-MRXNPFEDSA-N 1 0 384.318 2.658 20 0 GFADRO C/C(=C/c1ccc(Cl)cc1)C[NH2+]CCS(=O)(=O)NC[C@H]1CCCCO1 ZINC000119176720 655292086 /nfs/dbraw/zinc/29/20/86/655292086.db2.gz GQTGBUNOIDVGFN-WTQUMQLASA-N 1 0 386.945 2.821 20 0 GFADRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1cc(Br)nn1C ZINC000276934297 655293999 /nfs/dbraw/zinc/29/39/99/655293999.db2.gz ACGOOQJMVWHNNY-HIFRSBDPSA-N 1 0 391.313 2.823 20 0 GFADRO C[NH+](C)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2F)CC1 ZINC000276968949 655295641 /nfs/dbraw/zinc/29/56/41/655295641.db2.gz FQFQDKFNMWHUHR-GFCCVEGCSA-N 1 0 379.295 2.693 20 0 GFADRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)N[C@@H](CO)c2cccc(Br)c2)C1 ZINC000178082374 655297041 /nfs/dbraw/zinc/29/70/41/655297041.db2.gz IZLSCXDCVPTNPH-PBHICJAKSA-N 1 0 398.345 2.902 20 0 GFADRO CC(C)n1cc([C@H](C)[NH2+]CC2CCN(S(=O)(=O)C(F)(F)F)CC2)cn1 ZINC000178109716 655297900 /nfs/dbraw/zinc/29/79/00/655297900.db2.gz JNDKMEMMVKFASC-LBPRGKRZSA-N 1 0 382.452 2.676 20 0 GFADRO Cc1cccc(I)c1C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000119356528 655300452 /nfs/dbraw/zinc/30/04/52/655300452.db2.gz IVVISGCRINVRSA-GFCCVEGCSA-N 1 0 384.261 2.814 20 0 GFADRO C[C@H]([NH2+]CCC1CCCC1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000178508847 655304054 /nfs/dbraw/zinc/30/40/54/655304054.db2.gz LGJLFFVHZLFRGS-AWEZNQCLSA-N 1 0 388.555 2.643 20 0 GFADRO [NH3+]C[C@@H]1CCN(C(=O)CCCCc2ccc(I)cc2)C1 ZINC000178580930 655305289 /nfs/dbraw/zinc/30/52/89/655305289.db2.gz ROFJNSRWAXGEFV-AWEZNQCLSA-N 1 0 386.277 2.811 20 0 GFADRO CC[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000119577257 655307577 /nfs/dbraw/zinc/30/75/77/655307577.db2.gz GSEUACJWWZZLOO-VBQJREDUSA-N 1 0 388.555 2.642 20 0 GFADRO C[N@H+](CCCO)C1CCN(S(=O)(=O)Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000119684128 655310857 /nfs/dbraw/zinc/31/08/57/655310857.db2.gz MYPKBGODCXCXBH-UHFFFAOYSA-N 1 0 395.352 2.602 20 0 GFADRO C[NH+](C)[C@H]1CCCN(C(=O)c2ccc(I)c(F)c2)CC1 ZINC000277351032 655314226 /nfs/dbraw/zinc/31/42/26/655314226.db2.gz UCOHDNYQSHUNMQ-LBPRGKRZSA-N 1 0 390.240 2.987 20 0 GFADRO CC[NH+]1CCN([C@@H](C)CNC(=O)C[C@H](O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000179882604 655319034 /nfs/dbraw/zinc/31/90/34/655319034.db2.gz OGHMRRUAVXPSNW-GUYCJALGSA-N 1 0 388.339 2.559 20 0 GFADRO COC[C@H]([NH2+][C@@H](C)C(=O)N(C)Cc1ccc(Br)cc1)[C@@H]1CCCO1 ZINC000278747300 655326193 /nfs/dbraw/zinc/32/61/93/655326193.db2.gz MDXLENZNWZYSFG-JQFCIGGWSA-N 1 0 399.329 2.580 20 0 GFADRO O=C(CCCS(=O)(=O)c1ccc(Br)cc1)NNc1cc[nH+]cc1 ZINC000180527914 655327881 /nfs/dbraw/zinc/32/78/81/655327881.db2.gz WTPYBHCDQPKOJX-UHFFFAOYSA-N 1 0 398.282 2.541 20 0 GFADRO C[N@H+](CC(=O)NCCc1cc(Br)ccc1F)[C@@H]1CCSC1 ZINC000120169216 655329965 /nfs/dbraw/zinc/32/99/65/655329965.db2.gz BVDHCWYXTKKSDI-CYBMUJFWSA-N 1 0 375.307 2.684 20 0 GFADRO C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]CCS(=O)(=O)C(C)(C)C ZINC000180806288 655330229 /nfs/dbraw/zinc/33/02/29/655330229.db2.gz OQDXFWMKMIASQJ-AWEZNQCLSA-N 1 0 388.961 2.880 20 0 GFADRO Cc1n[nH]cc1[C@@H](C)[NH2+]CCOc1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000181041760 655331850 /nfs/dbraw/zinc/33/18/50/655331850.db2.gz WWAGRZYHAPZKLX-SNVBAGLBSA-N 1 0 377.388 2.741 20 0 GFADRO C[C@@H]([NH2+]C1Cc2ccccc2C1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000281028321 655331949 /nfs/dbraw/zinc/33/19/49/655331949.db2.gz FSECRXNTKNRELB-LLVKDONJSA-N 1 0 395.322 2.915 20 0 GFADRO C[C@@H](Oc1ccc(Cl)cc1Cl)[C@H](C)[NH2+]CCOCCS(C)(=O)=O ZINC000181147170 655332937 /nfs/dbraw/zinc/33/29/37/655332937.db2.gz NZXISMWWDXPTLI-NWDGAFQWSA-N 1 0 384.325 2.800 20 0 GFADRO CC[C@H](C)C[C@@H](C)[NH2+][C@@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000181182979 655333612 /nfs/dbraw/zinc/33/36/12/655333612.db2.gz GWZNWAVGDZIRSH-ZNMIVQPWSA-N 1 0 390.571 2.888 20 0 GFADRO COCC[NH+]1CCC(NC(=O)C(C)(C)c2ccccc2Br)CC1 ZINC000281504922 655333959 /nfs/dbraw/zinc/33/39/59/655333959.db2.gz GZMLQUYTVJGARJ-UHFFFAOYSA-N 1 0 383.330 2.954 20 0 GFADRO Cc1nc(Br)ccc1NC(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000181318752 655335206 /nfs/dbraw/zinc/33/52/06/655335206.db2.gz HWRODFQGHXLFQI-VXGBXAGGSA-N 1 0 385.306 2.773 20 0 GFADRO O=C(Nc1cccnc1Br)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000120524918 655338178 /nfs/dbraw/zinc/33/81/78/655338178.db2.gz HSMGDQHEGSXPEZ-GJZGRUSLSA-N 1 0 397.317 2.734 20 0 GFADRO C[N@@H+]1CCN(CCNC(=O)c2cccc(Br)c2Cl)CC1(C)C ZINC000281856246 655338908 /nfs/dbraw/zinc/33/89/08/655338908.db2.gz UWTPEEBQUVAGRB-UHFFFAOYSA-N 1 0 388.737 2.858 20 0 GFADRO COc1ncc([C@@H](C)[NH2+]CC2CCN(S(=O)(=O)C(F)F)CC2)cc1Cl ZINC000284267662 655341244 /nfs/dbraw/zinc/34/12/44/655341244.db2.gz JEGRTEKBABWRRT-SNVBAGLBSA-N 1 0 397.875 2.659 20 0 GFADRO COc1cc(C[NH2+]CCS(=O)(=O)c2ccc(Cl)cc2)cc(OC)c1O ZINC000289238501 655344687 /nfs/dbraw/zinc/34/46/87/655344687.db2.gz KVXXNJATVCNMMC-UHFFFAOYSA-N 1 0 385.869 2.626 20 0 GFADRO Cc1ncsc1CCS(=O)(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000289237881 655344701 /nfs/dbraw/zinc/34/47/01/655344701.db2.gz VZLBDNMJIFIORH-UHFFFAOYSA-N 1 0 379.551 2.709 20 0 GFADRO Cc1cccc(C(=O)N2CCC[C@]3(CC[NH2+]C3)C2)c1I ZINC000289344408 655347222 /nfs/dbraw/zinc/34/72/22/655347222.db2.gz XGXOJFHJNSGKPD-MRXNPFEDSA-N 1 0 384.261 2.815 20 0 GFADRO CCS(=O)(=O)C[C@@H](C)[NH2+][C@@H](CNC(=O)OC(C)(C)C)C1CCCCC1 ZINC000182951166 655348475 /nfs/dbraw/zinc/34/84/75/655348475.db2.gz SOMRSUAQUBNLBK-ZBFHGGJFSA-N 1 0 376.563 2.873 20 0 GFADRO C[N@@H+]1CC[C@@]2(CCN(C(=O)c3cn(-c4ccc(Br)cc4)cn3)C2)C1 ZINC000292527018 655351948 /nfs/dbraw/zinc/35/19/48/655351948.db2.gz JZPXJXLCLQVSNU-GOSISDBHSA-N 1 0 389.297 2.803 20 0 GFADRO Cc1cccc(C(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)c1I ZINC000292632425 655352956 /nfs/dbraw/zinc/35/29/56/655352956.db2.gz VTYIXURCWWZTNA-INIZCTEOSA-N 1 0 384.261 2.767 20 0 GFADRO CC(C)(C)NS(=O)(=O)c1ccc(Cl)c(C(=O)NC(C)(C)CCC[NH3+])c1 ZINC000293021257 655358732 /nfs/dbraw/zinc/35/87/32/655358732.db2.gz ANAPLJMRBNTQRL-UHFFFAOYSA-N 1 0 389.949 2.664 20 0 GFADRO Brc1ccccc1-n1cc(C[NH+]2CCC3(CC2)OCCCO3)nn1 ZINC000293635400 655360467 /nfs/dbraw/zinc/36/04/67/655360467.db2.gz LUQGISLRGRTWDK-UHFFFAOYSA-N 1 0 393.285 2.759 20 0 GFADRO C[C@@]([NH3+])(C(=O)NCC[C@H](O)c1ccccc1)c1ccc(Br)cc1 ZINC000293968729 655363453 /nfs/dbraw/zinc/36/34/53/655363453.db2.gz APVRFXKTCBOMGX-WMZOPIPTSA-N 1 0 377.282 2.863 20 0 GFADRO C[C@]1(C[C@H]2CCC[N@@H+]2Cc2cccc(F)c2Br)NC(=O)NC1=O ZINC000296149329 655368237 /nfs/dbraw/zinc/36/82/37/655368237.db2.gz VVCMFNPYXHGCCX-BDJLRTHQSA-N 1 0 384.249 2.541 20 0 GFADRO CC[C@H]([NH2+]CCS(=O)(=O)NC(C)C)c1cc(Br)ccc1O ZINC000186262469 655368474 /nfs/dbraw/zinc/36/84/74/655368474.db2.gz URYTUCLAYULJOH-ZDUSSCGKSA-N 1 0 379.320 2.523 20 0 GFADRO Cc1nn(C)c(Cl)c1S(=O)(=O)NC(C)(C)CC[NH+]1CCCCCC1 ZINC000186905788 655371908 /nfs/dbraw/zinc/37/19/08/655371908.db2.gz NYASSOFGBUIKNE-UHFFFAOYSA-N 1 0 376.954 2.705 20 0 GFADRO COc1cc(C[NH2+]C[C@@](O)(c2nccn2C)C(F)(F)F)ccc1SC ZINC000299368393 655374923 /nfs/dbraw/zinc/37/49/23/655374923.db2.gz QBZYWMGWDGZTHY-OAHLLOKOSA-N 1 0 375.416 2.690 20 0 GFADRO O=C1C[C@@]2(CCOC2)CN1C[N@H+]1CC[C@H](Cc2ccc(Br)cc2)C1 ZINC000840082583 661130164 /nfs/dbraw/zinc/13/01/64/661130164.db2.gz DRWBLTMRVSVZFN-APWZRJJASA-N 1 0 393.325 2.910 20 0 GFADRO C[C@@H]1C[C@@H](C)C[NH+](CCCNS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000303187062 655377895 /nfs/dbraw/zinc/37/78/95/655377895.db2.gz YJRMSRGWKJXUCZ-CHWSQXEVSA-N 1 0 389.905 2.895 20 0 GFADRO CCN(CCC[NH+](CC)CC)S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000188249486 655378946 /nfs/dbraw/zinc/37/89/46/655378946.db2.gz PDEOGDYMGWYCOC-UHFFFAOYSA-N 1 0 377.894 2.991 20 0 GFADRO CCCC1(C[NH2+][C@H](C)CS(C)(=O)=O)CCN(C(=O)OC(C)(C)C)CC1 ZINC000310844879 655379189 /nfs/dbraw/zinc/37/91/89/655379189.db2.gz KEFAEIPESFKZLD-OAHLLOKOSA-N 1 0 376.563 2.827 20 0 GFADRO O=S(=O)(NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc(Cl)nc1 ZINC000311058922 655379240 /nfs/dbraw/zinc/37/92/40/655379240.db2.gz WLWICVVFNIWGLC-MRXNPFEDSA-N 1 0 379.913 2.926 20 0 GFADRO CCCC1(C[NH2+][C@@H](C)CS(C)(=O)=O)CCN(C(=O)OC(C)(C)C)CC1 ZINC000310844875 655379277 /nfs/dbraw/zinc/37/92/77/655379277.db2.gz KEFAEIPESFKZLD-HNNXBMFYSA-N 1 0 376.563 2.827 20 0 GFADRO Cc1cc(Br)c(NC(=O)CN(C)C[C@@H](C)[NH3+])c(Br)c1 ZINC000311555827 655379414 /nfs/dbraw/zinc/37/94/14/655379414.db2.gz XAJFAWUYFDFLQB-SECBINFHSA-N 1 0 393.123 2.738 20 0 GFADRO C[C@H]1CN(C(=O)C[C@H](O)c2cc(Cl)cc(Cl)c2)CC[N@@H+]1CC(C)(C)O ZINC000188620052 655381112 /nfs/dbraw/zinc/38/11/12/655381112.db2.gz BKGZLTOZGUMLCJ-LRDDRELGSA-N 1 0 389.323 2.721 20 0 GFADRO CC[C@H]1C[N@H+](C)CCN1Cn1nnn(-c2ccc(Br)cc2)c1=S ZINC000840091416 661131325 /nfs/dbraw/zinc/13/13/25/661131325.db2.gz LEIORPURRSEIOG-ZDUSSCGKSA-N 1 0 397.346 2.544 20 0 GFADRO CS(=O)(=O)c1ccc([C@@H](O)C[NH2+]CCc2ccc(Br)cc2)cc1 ZINC000324476262 655384192 /nfs/dbraw/zinc/38/41/92/655384192.db2.gz BDUPADUAQJELLM-KRWDZBQOSA-N 1 0 398.322 2.718 20 0 GFADRO C#CC[NH+]1CCC(C(=O)N[C@H](C)c2ccc(Br)cc2OC)CC1 ZINC000189150760 655384923 /nfs/dbraw/zinc/38/49/23/655384923.db2.gz YCUMSVQHEIMVAA-CYBMUJFWSA-N 1 0 379.298 2.980 20 0 GFADRO CC[C@@]1(c2ccc(Cl)cc2)NC(=O)N(C[C@]2([NH+](C)C)CCSC2)C1=O ZINC000348472820 655388396 /nfs/dbraw/zinc/38/83/96/655388396.db2.gz DZMJSZIWVQFGDF-MSOLQXFVSA-N 1 0 381.929 2.934 20 0 GFADRO CC[NH+]1CCC(N2C(=O)N[C@@H](c3ccc(OC)c(Br)c3)C2=O)CC1 ZINC000349274189 655388881 /nfs/dbraw/zinc/38/88/81/655388881.db2.gz BKXIUSBTVWZZBI-HNNXBMFYSA-N 1 0 396.285 2.535 20 0 GFADRO Brc1ccc(N2CC[NH+](CC3CCC4(CC3)OCCO4)CC2)nc1 ZINC000190177363 655390349 /nfs/dbraw/zinc/39/03/49/655390349.db2.gz QJQIEWHEHWIUNA-UHFFFAOYSA-N 1 0 396.329 2.899 20 0 GFADRO Cc1cc(C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)nn1-c1ccc(Br)cc1 ZINC000365241793 655392656 /nfs/dbraw/zinc/39/26/56/655392656.db2.gz CYGOTVYFSPULOD-SUMWQHHRSA-N 1 0 389.297 2.767 20 0 GFADRO COc1ccc(S(=O)(=O)N2CCC([NH2+]CC3(SC)CCC3)CC2)cc1 ZINC000366007781 655397928 /nfs/dbraw/zinc/39/79/28/655397928.db2.gz IYMQTPUCWJDNIW-UHFFFAOYSA-N 1 0 384.567 2.724 20 0 GFADRO CN1CC[C@H]([NH2+]C[C@H](O)COCC(F)(F)F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000366589538 655400220 /nfs/dbraw/zinc/40/02/20/655400220.db2.gz FPNJRRIOJGGHDB-CQDKDKBSSA-N 1 0 384.801 2.754 20 0 GFADRO Cn1nc(Br)cc1C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000191928513 655401469 /nfs/dbraw/zinc/40/14/69/655401469.db2.gz KZTJXXSCEQZUNO-AWEZNQCLSA-N 1 0 377.286 2.577 20 0 GFADRO CC(C)C[NH+]1CCN(Cn2c(=O)oc3cc(F)c(Br)cc32)CC1 ZINC000192155988 655402921 /nfs/dbraw/zinc/40/29/21/655402921.db2.gz DOPYJEFSNDADGS-UHFFFAOYSA-N 1 0 386.265 2.727 20 0 GFADRO CCN(CCOc1ccc(Br)cc1)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000418318700 655405477 /nfs/dbraw/zinc/40/54/77/655405477.db2.gz NZDDFYJQFOWNEQ-AWEZNQCLSA-N 1 0 384.318 2.859 20 0 GFADRO C[C@H](NC(=O)NC(C)(C)COc1ncccc1Br)[C@H]1CCC[NH2+]C1 ZINC000418338772 655405560 /nfs/dbraw/zinc/40/55/60/655405560.db2.gz JYXKDGOPFDYSMJ-STQMWFEESA-N 1 0 399.333 2.689 20 0 GFADRO COc1ccc(Br)cc1CN(C)C(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000418342446 655405572 /nfs/dbraw/zinc/40/55/72/655405572.db2.gz MYPKRYQRZKLTQL-QWHCGFSZSA-N 1 0 384.318 2.987 20 0 GFADRO O=S(=O)(c1cc(Br)sc1Cl)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000420476909 655407531 /nfs/dbraw/zinc/40/75/31/655407531.db2.gz RRMYDUXVRBWONP-NSHDSACASA-N 1 0 385.736 2.681 20 0 GFADRO C[C@@H]1CCCC[C@]1(C[NH3+])NS(=O)(=O)c1cc(Br)cnc1Cl ZINC000193035300 655407948 /nfs/dbraw/zinc/40/79/48/655407948.db2.gz XSYQVVRPARSDQN-NOZJJQNGSA-N 1 0 396.738 2.683 20 0 GFADRO O[C@@H](C[NH2+]CC1(N2CCSCC2)CCCCC1)COCc1cccs1 ZINC000517925872 655419272 /nfs/dbraw/zinc/41/92/72/655419272.db2.gz KRHKKNUSNGEXDO-KRWDZBQOSA-N 1 0 384.611 2.967 20 0 GFADRO CC[NH+]1CCN(C[C@H](C)CNS(=O)(=O)/C=C\c2ccc(Cl)cc2)CC1 ZINC000221870600 655422036 /nfs/dbraw/zinc/42/20/36/655422036.db2.gz WZIHDXRJQUXUGJ-LPDYGMJQSA-N 1 0 385.961 2.504 20 0 GFADRO Cc1cc(Br)oc1C(=O)NCc1ccncc1OCC[NH+](C)C ZINC000567198503 655425101 /nfs/dbraw/zinc/42/51/01/655425101.db2.gz QBNAOTJFAFCNRM-UHFFFAOYSA-N 1 0 382.258 2.616 20 0 GFADRO CCCN(C1CC[NH2+]CC1)S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000236873249 655425075 /nfs/dbraw/zinc/42/50/75/655425075.db2.gz CTGSCDQFZROIQE-UHFFFAOYSA-N 1 0 375.878 2.709 20 0 GFADRO Cc1cc(NC(=O)C(=O)N[C@H](C)C[N@@H+](C)C(C)C)c(F)cc1Br ZINC000567204325 655425162 /nfs/dbraw/zinc/42/51/62/655425162.db2.gz IOQBDGBURFZQHU-LLVKDONJSA-N 1 0 388.281 2.680 20 0 GFADRO COC(=O)c1cc(S(=O)(=O)N2CCCC[C@H]2[C@@H](C)[NH3+])c(Cl)cc1Cl ZINC000237192053 655425818 /nfs/dbraw/zinc/42/58/18/655425818.db2.gz SBHWZGWLDIJLHV-RNCFNFMXSA-N 1 0 395.308 2.670 20 0 GFADRO COC(=O)c1cc(S(=O)(=O)NCC2([NH3+])CCCCC2)c(Cl)cc1Cl ZINC000237198789 655425848 /nfs/dbraw/zinc/42/58/48/655425848.db2.gz HFFKTEBGMSXWFH-UHFFFAOYSA-N 1 0 395.308 2.720 20 0 GFADRO CN(C(=O)Cc1csc(NC(=O)c2cccs2)n1)C1CCC([NH3+])CC1 ZINC000237219351 655425962 /nfs/dbraw/zinc/42/59/62/655425962.db2.gz OBQAMXJYLPMFPC-UHFFFAOYSA-N 1 0 378.523 2.728 20 0 GFADRO O=C(Nc1cc(F)c(I)c(F)c1)[C@H]1CC12CC[NH2+]CC2 ZINC000237703022 655426568 /nfs/dbraw/zinc/42/65/68/655426568.db2.gz MXRLJCGIKNUGCX-SECBINFHSA-N 1 0 392.187 2.898 20 0 GFADRO O=S(=O)(c1ccc(F)c(C(F)(F)F)c1)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000574277665 655427857 /nfs/dbraw/zinc/42/78/57/655427857.db2.gz YOFVLTPBDLXJQU-RYUDHWBXSA-N 1 0 380.407 2.855 20 0 GFADRO CCC[N@H+](CC)C[C@@H](C)NC(=O)C(=O)Nc1cc(F)ccc1Br ZINC000574328223 655429055 /nfs/dbraw/zinc/42/90/55/655429055.db2.gz VRIPBWOHAOJNJH-LLVKDONJSA-N 1 0 388.281 2.763 20 0 GFADRO COc1ccc([C@@H](C)[NH2+]CCNS(=O)(=O)c2cccc(Cl)c2)cc1O ZINC000574846854 655431999 /nfs/dbraw/zinc/43/19/99/655431999.db2.gz BQVHBCDMWKONIV-GFCCVEGCSA-N 1 0 384.885 2.683 20 0 GFADRO C[C@H](O)C[N@@H+]1CCN(C(=O)CCSc2nc3ccccc3s2)[C@H](C)C1 ZINC000248830232 655433428 /nfs/dbraw/zinc/43/34/28/655433428.db2.gz DWRDTUTUHKSULU-KGLIPLIRSA-N 1 0 379.551 2.692 20 0 GFADRO C[NH2+][C@H](CC(C)(C)C)C(=O)NCCCNC(=O)c1cccc(Br)c1 ZINC000574985384 655434034 /nfs/dbraw/zinc/43/40/34/655434034.db2.gz UTUBLIDIOHZHCC-OAHLLOKOSA-N 1 0 398.345 2.709 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)c2nnc(-c3cc(Br)c[nH]3)n2C)[C@H](C)C1 ZINC000575789621 655437076 /nfs/dbraw/zinc/43/70/76/655437076.db2.gz YHYDEBJTSJRXIB-BXUZGUMPSA-N 1 0 381.322 2.739 20 0 GFADRO Cc1c(Br)cc(S(C)(=O)=O)cc1-c1nc(C2(N)CCC2)no1 ZINC000575868037 655438966 /nfs/dbraw/zinc/43/89/66/655438966.db2.gz MKZUKPCNPFYDIV-UHFFFAOYSA-N 1 0 386.271 2.549 20 0 GFADRO C[NH+]1CCN(c2cc(CNC(=O)/C=C\c3ccc(Cl)s3)ccn2)CC1 ZINC000255900966 655440941 /nfs/dbraw/zinc/44/09/41/655440941.db2.gz AVGZKZCKWODDDK-HYXAFXHYSA-N 1 0 376.913 2.878 20 0 GFADRO C[C@@H](NC(=O)NCC[C@H]1CC[NH2+]C1)c1cc2c(cc1Br)OCCO2 ZINC000576091803 655443069 /nfs/dbraw/zinc/44/30/69/655443069.db2.gz UWHPDUCDMIYVCC-VXGBXAGGSA-N 1 0 398.301 2.580 20 0 GFADRO CSc1ccc(OC[C@@H](O)C[NH2+]C2CCN(CC(F)(F)F)CC2)cc1 ZINC000576100656 655443330 /nfs/dbraw/zinc/44/33/30/655443330.db2.gz WJGJEEJOGGHHIY-AWEZNQCLSA-N 1 0 378.460 2.765 20 0 GFADRO FC(F)(F)c1cc(Br)ccc1CN1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000262134128 655444019 /nfs/dbraw/zinc/44/40/19/655444019.db2.gz ONBFVCZMHMTJEF-CQSZACIVSA-N 1 0 392.263 2.947 20 0 GFADRO O=C(NC[C@H]1CCC[NH2+]1)c1cc(I)cc(C(F)(F)F)c1 ZINC000262529034 655446124 /nfs/dbraw/zinc/44/61/24/655446124.db2.gz DUKROEOTHRJLOY-LLVKDONJSA-N 1 0 398.166 2.792 20 0 GFADRO Cc1c(Br)ccnc1NC(=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000576373103 655446181 /nfs/dbraw/zinc/44/61/81/655446181.db2.gz CIJCKNKXSKTHCS-LBPRGKRZSA-N 1 0 399.333 2.709 20 0 GFADRO CN(C(=O)c1cc(I)cc(C(F)(F)F)c1)[C@@H]1CC[NH2+]C1 ZINC000262638973 655446561 /nfs/dbraw/zinc/44/65/61/655446561.db2.gz RDKKQUQSJNXDHO-LLVKDONJSA-N 1 0 398.166 2.744 20 0 GFADRO Cc1cc(Br)cc(S(=O)(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000576399709 655446803 /nfs/dbraw/zinc/44/68/03/655446803.db2.gz RTCHLYHEZYPSHN-KBPBESRZSA-N 1 0 387.343 2.768 20 0 GFADRO Cc1nn(-c2ccc(C(=O)N[C@@H]3CC[NH2+]C[C@@H]3C)cc2)c(C)c1Br ZINC000262789390 655447138 /nfs/dbraw/zinc/44/71/38/655447138.db2.gz MUAGCGKJNNGPGH-MEDUHNTESA-N 1 0 391.313 2.979 20 0 GFADRO OC[C@H](CC1CCC1)[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000576466728 655447914 /nfs/dbraw/zinc/44/79/14/655447914.db2.gz WYHFWFJEISTMMW-UONOGXRCSA-N 1 0 392.721 2.983 20 0 GFADRO O=C(NCC1CC[NH+](C2CC2)CC1)c1[nH]nc2ccc(Br)cc21 ZINC000576518923 655448280 /nfs/dbraw/zinc/44/82/80/655448280.db2.gz MQDBJFFWCPKJIB-UHFFFAOYSA-N 1 0 377.286 2.930 20 0 GFADRO OC[C@H]([NH2+]Cc1nc(-c2cccc(Br)c2)c[nH]1)C1CCOCC1 ZINC000576780202 655452619 /nfs/dbraw/zinc/45/26/19/655452619.db2.gz PYZYTVUPFKBZRF-INIZCTEOSA-N 1 0 380.286 2.716 20 0 GFADRO CN(C)c1ncc(C[NH2+]C[C@H]2CCN(c3ccc(Br)cc3)C2)cn1 ZINC000263864126 655452855 /nfs/dbraw/zinc/45/28/55/655452855.db2.gz XZVDWFQKTWOXCY-CQSZACIVSA-N 1 0 390.329 2.921 20 0 GFADRO C[N@H+](CCn1cc(Br)cn1)C[C@H](O)COc1ccccc1Cl ZINC000576858500 655453230 /nfs/dbraw/zinc/45/32/30/655453230.db2.gz LTKFILCCOHESTI-ZDUSSCGKSA-N 1 0 388.693 2.671 20 0 GFADRO O=C(CCOC1C[NH2+]C1)NCC1(c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000576863322 655453383 /nfs/dbraw/zinc/45/33/83/655453383.db2.gz JZBCLTHWCYECTM-UHFFFAOYSA-N 1 0 376.806 2.885 20 0 GFADRO Cc1ccc(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)cc1I ZINC000263963218 655455042 /nfs/dbraw/zinc/45/50/42/655455042.db2.gz QQDAEGKAHBRTOY-LBPRGKRZSA-N 1 0 384.261 2.814 20 0 GFADRO COc1cc(Br)ccc1[C@H](C)NC(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000577085731 655457406 /nfs/dbraw/zinc/45/74/06/655457406.db2.gz UJWIMQCVUPGMMV-HUBLWGQQSA-N 1 0 382.302 2.912 20 0 GFADRO C[N@H+](CC(=O)NCCc1cnc(SC2CCCC2)nc1)[C@H]1CCSC1 ZINC000577414098 655459152 /nfs/dbraw/zinc/45/91/52/655459152.db2.gz RJAFKKLWYJSXTO-HNNXBMFYSA-N 1 0 380.583 2.607 20 0 GFADRO Cc1[nH]c(=S)sc1CC(=O)NCCc1ccc(OCC[NH+](C)C)cc1 ZINC000264253659 655459746 /nfs/dbraw/zinc/45/97/46/655459746.db2.gz PDEAACACRIBPQF-UHFFFAOYSA-N 1 0 379.551 2.582 20 0 GFADRO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)c2ccc(Br)s2)CC1 ZINC000264502345 655465071 /nfs/dbraw/zinc/46/50/71/655465071.db2.gz IPRRAXZAABDJMV-CYBMUJFWSA-N 1 0 386.359 2.753 20 0 GFADRO O=C(CC[NH2+]C[C@H](O)COc1ccccc1Br)Nc1ccccc1 ZINC000577730490 655465979 /nfs/dbraw/zinc/46/59/79/655465979.db2.gz QPCFFGQNIJVKJF-HNNXBMFYSA-N 1 0 393.281 2.807 20 0 GFADRO COc1ccc([C@@H](CCO)[NH2+][C@H](C)Cn2cc(Br)ccc2=O)cc1 ZINC000577764589 655466774 /nfs/dbraw/zinc/46/67/74/655466774.db2.gz RDRLELHEHDNOAL-CXAGYDPISA-N 1 0 395.297 2.721 20 0 GFADRO Cc1cc(Cl)cc(NC(=O)C(=O)N2CCC[C@@H](C[NH3+])C2)c1Br ZINC000577829397 655467871 /nfs/dbraw/zinc/46/78/71/655467871.db2.gz KTFMQFDSFSHSGT-JTQLQIEISA-N 1 0 388.693 2.547 20 0 GFADRO O=C(c1cccc(I)c1)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000577847386 655468405 /nfs/dbraw/zinc/46/84/05/655468405.db2.gz LWFIUWPIUOIBAR-KBPBESRZSA-N 1 0 384.261 2.753 20 0 GFADRO CN(CCCN1CC[NH+](C)CC1)C(=O)c1cc(Cl)ccc1Br ZINC000264690441 655468711 /nfs/dbraw/zinc/46/87/11/655468711.db2.gz AGYTXBJOMFCLOV-UHFFFAOYSA-N 1 0 388.737 2.812 20 0 GFADRO COc1cc(C[N@H+](C)CCn2cc(Br)cn2)cc(OC)c1OC ZINC000264724268 655469120 /nfs/dbraw/zinc/46/91/20/655469120.db2.gz PNMSEFULJRSQSZ-UHFFFAOYSA-N 1 0 384.274 2.803 20 0 GFADRO CCOc1ccc(S(=O)(=O)NCCC[C@@H]2CCC[NH2+]2)cc1Br ZINC000578012293 655471274 /nfs/dbraw/zinc/47/12/74/655471274.db2.gz APZPKDWPPFWOMP-LBPRGKRZSA-N 1 0 391.331 2.658 20 0 GFADRO NS(=O)(=O)c1cc(Cl)cc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCCC[C@@H]2O)c1 ZINC000578017373 655471285 /nfs/dbraw/zinc/47/12/85/655471285.db2.gz ZYTPCMKLHMINII-KSZLIROESA-N 1 0 386.945 2.893 20 0 GFADRO COc1cc(Br)ccc1[C@@H](C)NC(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000578235504 655474738 /nfs/dbraw/zinc/47/47/38/655474738.db2.gz INMLTMFWLVXGAX-MNOVXSKESA-N 1 0 393.285 2.749 20 0 GFADRO C[C@H](NC(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1)c1ncc(Br)cn1 ZINC000578278938 655475668 /nfs/dbraw/zinc/47/56/68/655475668.db2.gz KFVISECHKREZSU-AAEUAGOBSA-N 1 0 382.306 2.616 20 0 GFADRO CC(C)Sc1c(Cl)cccc1NC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000578380746 655477553 /nfs/dbraw/zinc/47/75/53/655477553.db2.gz GHPXOZWDPAFNQH-WCQYABFASA-N 1 0 382.917 2.616 20 0 GFADRO Brc1cnc(Sc2nnc([C@H]3CCC[NH2+]C3)n2C2CC2)nc1 ZINC000265436932 655483435 /nfs/dbraw/zinc/48/34/35/655483435.db2.gz HCRYBZQVECSPDF-VIFPVBQESA-N 1 0 381.303 2.784 20 0 GFADRO CN(C)CC[N@H+](C)CCCN(C)S(=O)(=O)Cc1ccc(Cl)cc1Cl ZINC000578693416 655484849 /nfs/dbraw/zinc/48/48/49/655484849.db2.gz CPLFKSWCYYYJMY-UHFFFAOYSA-N 1 0 396.384 2.639 20 0 GFADRO C[C@@H]1[C@H](C)[S@@](=O)CCN1C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000265596249 655486719 /nfs/dbraw/zinc/48/67/19/655486719.db2.gz LEBQQYFCHSYBJP-ARXQOQFISA-N 1 0 383.583 2.511 20 0 GFADRO Cn1ncc(Br)c1C(=O)NC[C@@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000578777752 655486870 /nfs/dbraw/zinc/48/68/70/655486870.db2.gz VYGURMCKCMQFMB-LBPRGKRZSA-N 1 0 399.720 2.911 20 0 GFADRO COc1ccc(CC[NH2+][C@@H](C)Cn2cc(Br)ccc2=O)cc1F ZINC000578865938 655488150 /nfs/dbraw/zinc/48/81/50/655488150.db2.gz AYXJWFJELDTJJC-LBPRGKRZSA-N 1 0 383.261 2.979 20 0 GFADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)Nc1cc(F)ccc1SCC(F)F ZINC000265730904 655489458 /nfs/dbraw/zinc/48/94/58/655489458.db2.gz SFFDPNDKLSIAPL-LBPRGKRZSA-N 1 0 376.448 2.550 20 0 GFADRO COc1cc(CNC(=O)NCCC[NH2+]C(C)C)cc(Br)c1OC ZINC000578980893 655490709 /nfs/dbraw/zinc/49/07/09/655490709.db2.gz YECGERPXRPTOEF-UHFFFAOYSA-N 1 0 388.306 2.654 20 0 GFADRO OC[C@H]([NH2+]Cc1cnn(-c2ccc(Br)cc2)c1)[C@@H]1CCCOC1 ZINC000579093640 655493755 /nfs/dbraw/zinc/49/37/55/655493755.db2.gz WVVHWVPYQJTYPI-PBHICJAKSA-N 1 0 380.286 2.512 20 0 GFADRO O=C(c1cnn(-c2ccc(Br)cc2)c1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000579110620 655494175 /nfs/dbraw/zinc/49/41/75/655494175.db2.gz TZLJSUIHOHITGJ-GOSISDBHSA-N 1 0 389.297 2.851 20 0 GFADRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2cc(S(C)(=O)=O)ccc2Cl)C1 ZINC000265962799 655494107 /nfs/dbraw/zinc/49/41/07/655494107.db2.gz YZKNZSFKLRELCT-CYBMUJFWSA-N 1 0 386.945 2.984 20 0 GFADRO CN(Cc1cccc(Cl)c1)C(=O)C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000579135504 655494597 /nfs/dbraw/zinc/49/45/97/655494597.db2.gz TWKNRGTUDMRTJL-HNNXBMFYSA-N 1 0 379.913 2.779 20 0 GFADRO Cc1cc(Br)cc2c1CN(C(=O)c1ccn(CC[NH+](C)C)n1)CC2 ZINC000579130256 655494624 /nfs/dbraw/zinc/49/46/24/655494624.db2.gz WPZWKRMYPMTRKA-UHFFFAOYSA-N 1 0 391.313 2.714 20 0 GFADRO O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)c1c[nH]c(=O)c(Br)c1 ZINC000266011589 655495100 /nfs/dbraw/zinc/49/51/00/655495100.db2.gz HWUQNIIWFOUOAE-AWEZNQCLSA-N 1 0 376.254 2.554 20 0 GFADRO O=C(CCOc1ccc(Cl)cc1Cl)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000266050179 655495785 /nfs/dbraw/zinc/49/57/85/655495785.db2.gz ALMFYMZLNQRMJX-AWEZNQCLSA-N 1 0 387.307 2.943 20 0 GFADRO CN1CCN(c2ncc(Br)cc2NC(=O)N2CCC23CCC3)CC1 ZINC000579320894 655497861 /nfs/dbraw/zinc/49/78/61/655497861.db2.gz ROSLEABWLOXBEB-UHFFFAOYSA-N 1 0 394.317 2.756 20 0 GFADRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1S(=O)(=O)c1ccc(Br)c(F)c1 ZINC000579389063 655498777 /nfs/dbraw/zinc/49/87/77/655498777.db2.gz XNMDBKRTSGHMCL-ABAIWWIYSA-N 1 0 391.306 2.836 20 0 GFADRO C[C@@H](Oc1ccc(Cl)cc1Cl)[C@H](C)[NH2+]C[C@@H]1CS(=O)(=O)CCO1 ZINC000579506180 655500566 /nfs/dbraw/zinc/50/05/66/655500566.db2.gz NNXNDDWFDSPLJF-DMDPSCGWSA-N 1 0 382.309 2.552 20 0 GFADRO Cc1oc(Br)cc1C(=O)N1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000579583701 655501755 /nfs/dbraw/zinc/50/17/55/655501755.db2.gz HICGPLHLDKGJEO-CQSZACIVSA-N 1 0 384.318 2.591 20 0 GFADRO CO[C@H]1C[NH2+][C@@H](C(=O)NCC2(c3ccc(Cl)cc3Cl)CCOCC2)C1 ZINC000579797005 655504226 /nfs/dbraw/zinc/50/42/26/655504226.db2.gz OEKPRQZOWPQIAB-CZUORRHYSA-N 1 0 387.307 2.535 20 0 GFADRO C[C@H](C[C@H](C)[NH3+])NC(=O)N1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000580070895 655507830 /nfs/dbraw/zinc/50/78/30/655507830.db2.gz FDOKMVIIQNYVMJ-NWDGAFQWSA-N 1 0 387.311 2.587 20 0 GFADRO Cc1c(Br)cccc1CNC(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000580210538 655510321 /nfs/dbraw/zinc/51/03/21/655510321.db2.gz XJKODNORZGAWJD-UHFFFAOYSA-N 1 0 397.361 2.583 20 0 GFADRO COCc1cc(Cl)cc(S(=O)(=O)NC[C@@H]2[NH2+]CCc3ccccc32)c1 ZINC000580325892 655511022 /nfs/dbraw/zinc/51/10/22/655511022.db2.gz BKQZCCFCUGTWFN-SFHVURJKSA-N 1 0 380.897 2.652 20 0 GFADRO CN(C[C@H](O)c1cccc(Br)c1)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000840316120 661153831 /nfs/dbraw/zinc/15/38/31/661153831.db2.gz QPCLZYCNUNLLAO-ZACQAIPSSA-N 1 0 398.345 2.997 20 0 GFADRO CN(C[C@H](O)c1cccc(Br)c1)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000840316117 661153946 /nfs/dbraw/zinc/15/39/46/661153946.db2.gz QPCLZYCNUNLLAO-IKGGRYGDSA-N 1 0 398.345 2.997 20 0 GFADRO COC(=O)c1sc(NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)nc1Cl ZINC000705376400 655522085 /nfs/dbraw/zinc/52/20/85/655522085.db2.gz UOPRDSWPHFZCRX-KRWDZBQOSA-N 1 0 381.885 2.632 20 0 GFADRO CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(Cl)ccc1I ZINC000712311737 655522615 /nfs/dbraw/zinc/52/26/15/655522615.db2.gz TYLLSCUZKKWJBG-JTQLQIEISA-N 1 0 378.641 2.769 20 0 GFADRO COc1nsc(C[NH2+][C@@H]2CCCN3CCSC[C@@H]23)c1Br ZINC000720494195 655524486 /nfs/dbraw/zinc/52/44/86/655524486.db2.gz HXXGRARBAIQBEW-ZJUUUORDSA-N 1 0 378.361 2.584 20 0 GFADRO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)c1csc(I)c1 ZINC000720814079 655524617 /nfs/dbraw/zinc/52/46/17/655524617.db2.gz BASIBTFRDBLKAB-GHMZBOCLSA-N 1 0 376.263 2.661 20 0 GFADRO CN1C[C@H](CC[NH2+]Cc2c(Br)cncc2Br)CC1=O ZINC000723582969 655525596 /nfs/dbraw/zinc/52/55/96/655525596.db2.gz QPWRIIQQGSRGNE-SECBINFHSA-N 1 0 391.107 2.565 20 0 GFADRO CC(C)(C)OC(=O)NC[C@H]1CC[C@@H]([NH2+]CCn2cc(Br)cn2)C1 ZINC000724084918 655525661 /nfs/dbraw/zinc/52/56/61/655525661.db2.gz UNPISLIBGTXCRA-GXTWGEPZSA-N 1 0 387.322 2.929 20 0 GFADRO C[NH+](C)C[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Cl)nc1Cl ZINC000725825392 655527207 /nfs/dbraw/zinc/52/72/07/655527207.db2.gz LDIBGYVXCHJYFU-CYBMUJFWSA-N 1 0 388.320 2.840 20 0 GFADRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=S)NCCc2cccs2)CC1 ZINC000727702129 655548846 /nfs/dbraw/zinc/54/88/46/655548846.db2.gz QOVUNZXOPXIECR-IRXDYDNUSA-N 1 0 380.627 2.656 20 0 GFADRO CC(C)[N@@H+]1CCCN(CN2C(=O)N[C@](C)(c3ccc(Cl)s3)C2=O)CC1 ZINC000727823476 655549671 /nfs/dbraw/zinc/54/96/71/655549671.db2.gz JZKWQUGCNONSGZ-QGZVFWFLSA-N 1 0 384.933 2.542 20 0 GFADRO CC/C=C(/C)C(=O)N1CSC[C@@H]1C(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000728019063 655551711 /nfs/dbraw/zinc/55/17/11/655551711.db2.gz RAQGTCLVLYLTSG-KWLXYHDNSA-N 1 0 381.567 2.725 20 0 GFADRO O[C@@H](COc1c(Cl)cccc1Cl)C[N@@H+]1CCCC[C@@H]1C1OCCO1 ZINC000728173227 655553538 /nfs/dbraw/zinc/55/35/38/655553538.db2.gz BWXLYYCSLOZVNC-IUODEOHRSA-N 1 0 376.280 2.961 20 0 GFADRO C[C@H](Cc1cccc(Br)c1)NC(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000729497799 655565161 /nfs/dbraw/zinc/56/51/61/655565161.db2.gz CLMAEUDUDYQHAX-XOKHGSTOSA-N 1 0 396.329 2.543 20 0 GFADRO C[C@H](Cc1cccc(Br)c1)NC(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000729497801 655565264 /nfs/dbraw/zinc/56/52/64/655565264.db2.gz CLMAEUDUDYQHAX-XYPHTWIQSA-N 1 0 396.329 2.543 20 0 GFADRO Ic1ccccc1C[NH2+]CCc1nnc2ccccn21 ZINC000731448381 655583625 /nfs/dbraw/zinc/58/36/25/655583625.db2.gz ZGPFRZKHKAFVDI-UHFFFAOYSA-N 1 0 378.217 2.666 20 0 GFADRO COc1ccc(NC(=S)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)cc1Cl ZINC000732719898 655600594 /nfs/dbraw/zinc/60/05/94/655600594.db2.gz DITMEWIJDZHEKH-CQSZACIVSA-N 1 0 382.961 2.804 20 0 GFADRO C[N@H+](CCC(=O)Nc1ccccc1Br)CC(=O)NCc1ccco1 ZINC000732983458 655605548 /nfs/dbraw/zinc/60/55/48/655605548.db2.gz XMZRDWVLMQZFIH-UHFFFAOYSA-N 1 0 394.269 2.619 20 0 GFADRO O=S(=O)(NC1CC[NH+](C[C@@H]2CCCO2)CC1)c1cccc(Cl)c1Cl ZINC000734244478 655628495 /nfs/dbraw/zinc/62/84/95/655628495.db2.gz TWTZQODPKONHNS-ZDUSSCGKSA-N 1 0 393.336 2.915 20 0 GFADRO O=S(=O)(NC1CC[NH+](C[C@H]2CCCO2)CC1)c1cc(Cl)sc1Cl ZINC000734243469 655628531 /nfs/dbraw/zinc/62/85/31/655628531.db2.gz JTQWSBNRDREJIQ-LLVKDONJSA-N 1 0 399.365 2.977 20 0 GFADRO CC[C@H](NC(=S)NCCCC[NH+]1CCC(C(N)=O)CC1)c1cccs1 ZINC000734376813 655630070 /nfs/dbraw/zinc/63/00/70/655630070.db2.gz ZGHGEURATOCBGR-HNNXBMFYSA-N 1 0 382.599 2.641 20 0 GFADRO C[NH+](C)[C@H](CNS(=O)(=O)c1cnc(Cl)c(Cl)c1)Cc1ccccc1 ZINC000738345946 655689274 /nfs/dbraw/zinc/68/92/74/655689274.db2.gz XCQPCSZAAOEFRA-ZDUSSCGKSA-N 1 0 388.320 2.840 20 0 GFADRO S=c1n(CN2CC[C@@H](C[NH+]3CCCC3)C2)nnn1-c1ccc(Cl)cc1 ZINC000739877389 655695074 /nfs/dbraw/zinc/69/50/74/655695074.db2.gz XDLSLEIEEKHBDO-AWEZNQCLSA-N 1 0 378.933 2.827 20 0 GFADRO CC[C@@H](C(=O)OCc1cc(=O)n2cc(Br)ccc2n1)[NH+](CC)CC ZINC000741033789 655702329 /nfs/dbraw/zinc/70/23/29/655702329.db2.gz YFMSRIAZVDYZAY-AWEZNQCLSA-N 1 0 396.285 2.621 20 0 GFADRO COC(=O)[C@@](C)(NC(=O)CCCC[NH+](C)C)c1cccc(Br)c1 ZINC000741214576 655703726 /nfs/dbraw/zinc/70/37/26/655703726.db2.gz NLXFURYOGHMMRY-KRWDZBQOSA-N 1 0 385.302 2.685 20 0 GFADRO COc1c(Br)cc(Cl)cc1S(=O)(=O)N[C@H](C)CC[NH+](C)C ZINC000741754981 655707887 /nfs/dbraw/zinc/70/78/87/655707887.db2.gz CICBVAPHUYSXFZ-SECBINFHSA-N 1 0 399.738 2.730 20 0 GFADRO Cc1nc(-c2ccc(Br)cc2)nn1CN1CC[C@H]([NH+]2CC=CC2)C1 ZINC000742162680 655710801 /nfs/dbraw/zinc/71/08/01/655710801.db2.gz XNWHRGCZLLJXAT-KRWDZBQOSA-N 1 0 388.313 2.920 20 0 GFADRO Cc1cccc(C(=O)N2CCC23CC[NH+](C)CC3)c1I ZINC000742187136 655711506 /nfs/dbraw/zinc/71/15/06/655711506.db2.gz LKHPBKSRCMCBEL-UHFFFAOYSA-N 1 0 384.261 2.910 20 0 GFADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)Nc2ccccc2C[NH+](C)C)c1 ZINC000743047491 655725874 /nfs/dbraw/zinc/72/58/74/655725874.db2.gz XDGZQQVUWFIAPA-UHFFFAOYSA-N 1 0 382.869 2.989 20 0 GFADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]CCc1ccc(F)cc1 ZINC000743503221 655729702 /nfs/dbraw/zinc/72/97/02/655729702.db2.gz OVTBWOMKMHPXHF-OAHLLOKOSA-N 1 0 385.892 2.676 20 0 GFADRO CC(C)[C@@H](C[NH+](C)C)NC(=O)CN1C(=S)N=NC1c1ccc(Cl)cc1 ZINC000743587892 655730150 /nfs/dbraw/zinc/73/01/50/655730150.db2.gz TZSRYKHYIOOGKV-CQSZACIVSA-N 1 0 381.933 2.590 20 0 GFADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@H]1COC2(CCC(C)CC2)O1 ZINC000840737340 661181280 /nfs/dbraw/zinc/18/12/80/661181280.db2.gz BKJFMJJEPSKFQJ-IFRCIOGXSA-N 1 0 399.329 2.911 20 0 GFADRO CC(C)[NH+]1CCC(NC(=O)COC(=O)c2ccc(Cl)c(Cl)c2N)CC1 ZINC000744806336 655745220 /nfs/dbraw/zinc/74/52/20/655745220.db2.gz YAYQVSIYSIUNIW-UHFFFAOYSA-N 1 0 388.295 2.721 20 0 GFADRO O=C(CSCc1ccc(Br)cc1)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000747236431 655774784 /nfs/dbraw/zinc/77/47/84/655774784.db2.gz MTIADOHPHZNIQE-HOTGVXAUSA-N 1 0 399.354 2.662 20 0 GFADRO CCOC(=O)c1nn(C[N@@H+]2CC[C@H](COC)C2)c2ccc(Br)cc21 ZINC000748257804 655789224 /nfs/dbraw/zinc/78/92/24/655789224.db2.gz LFXOFFIVERVPEK-LBPRGKRZSA-N 1 0 396.285 2.901 20 0 GFADRO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]CCCNC(=O)OC(C)(C)C ZINC000840718570 661178526 /nfs/dbraw/zinc/17/85/26/661178526.db2.gz CMDFQZMMYWJKIA-LBPRGKRZSA-N 1 0 388.306 2.504 20 0 GFADRO CC(C)(C)O[C@@H]1C[C@H]([NH2+]C2CCN(S(=O)(=O)C(F)(F)F)CC2)C1(C)C ZINC000840725795 661179099 /nfs/dbraw/zinc/17/90/99/661179099.db2.gz VUWFZOPIIVQAOA-QWHCGFSZSA-N 1 0 386.480 2.872 20 0 GFADRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=S)NC[C@H]2CCOC2)CC1 ZINC000749639084 655806222 /nfs/dbraw/zinc/80/62/22/655806222.db2.gz JPUUICPTHLYMBK-CQSZACIVSA-N 1 0 382.961 2.805 20 0 GFADRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)S(=O)(=O)c1cc2ccc(Cl)nc2cc1F ZINC000750166776 655812202 /nfs/dbraw/zinc/81/22/02/655812202.db2.gz ZNJQYMPVFBSCJO-NHYWBVRUSA-N 1 0 385.892 2.988 20 0 GFADRO NS(=O)(=O)c1ccc(CC[N@@H+]2CCC[C@H]2C[C@H](O)c2cccs2)cc1 ZINC000750829602 655817794 /nfs/dbraw/zinc/81/77/94/655817794.db2.gz IYNHXHKKDBKQMH-RDJZCZTQSA-N 1 0 380.535 2.526 20 0 GFADRO C[C@@H]1CN(C(=S)NCCSc2ccc(Cl)cc2)C[C@H](C)[N@H+]1CCO ZINC000840805086 661190511 /nfs/dbraw/zinc/19/05/11/661190511.db2.gz MBPLRBJXEGJHJC-OKILXGFUSA-N 1 0 388.002 2.694 20 0 GFADRO O=S(=O)(CC[NH2+]C[C@@H](O)c1ccccc1)c1cccc(Br)c1 ZINC000751037587 655820759 /nfs/dbraw/zinc/82/07/59/655820759.db2.gz FHLDSSFUUODQQV-MRXNPFEDSA-N 1 0 384.295 2.546 20 0 GFADRO COC(=O)c1ccc(S(=O)(=O)NC2CCC([NH+]3CCCCC3)CC2)s1 ZINC000751124575 655821878 /nfs/dbraw/zinc/82/18/78/655821878.db2.gz WEOQBRVTHXRHKC-UHFFFAOYSA-N 1 0 386.539 2.610 20 0 GFADRO COc1ccc(OC)c([C@@H](O)C[NH2+]C[C@@H](O)c2ccccc2Br)c1 ZINC000751570360 655831127 /nfs/dbraw/zinc/83/11/27/655831127.db2.gz OLYHXPVBEJCBBC-SJORKVTESA-N 1 0 396.281 2.823 20 0 GFADRO C[N@H+](C[C@H](O)c1ccccc1Br)CC(C)(C)CN1CCOCC1 ZINC000752086569 655839439 /nfs/dbraw/zinc/83/94/39/655839439.db2.gz MDWWYDQDXKALLU-KRWDZBQOSA-N 1 0 385.346 2.773 20 0 GFADRO CC[C@H](CNC(=O)NC[C@@H]1CSCCS1)[N@@H+]1CCc2ccccc2C1 ZINC000752868488 655847531 /nfs/dbraw/zinc/84/75/31/655847531.db2.gz RUDKKZRHIOSWGK-QZTJIDSGSA-N 1 0 379.595 2.971 20 0 GFADRO CCCC[N@H+](C)C[C@@H](C)NC(=O)COc1ccc(C=O)cc1Br ZINC000753024416 655849395 /nfs/dbraw/zinc/84/93/95/655849395.db2.gz SLNWUOPWQPOTFC-CYBMUJFWSA-N 1 0 385.302 2.877 20 0 GFADRO CC[C@@H](CO)C(=O)N(Cc1ccccc1Br)C1CC[NH+](C)CC1 ZINC000753025023 655849573 /nfs/dbraw/zinc/84/95/73/655849573.db2.gz ODGCIZMDIBJHCG-AWEZNQCLSA-N 1 0 383.330 2.890 20 0 GFADRO O=c1cc(C[NH2+][C@H](CCO)c2cccs2)nc2ccc(Br)cn12 ZINC000754386099 655867220 /nfs/dbraw/zinc/86/72/20/655867220.db2.gz QOJBFEUNBYTDAW-CYBMUJFWSA-N 1 0 394.294 2.732 20 0 GFADRO COC(=O)C[C@@H]([NH2+]CC(=O)N[C@H](C)c1ccc(Br)cc1)C1CC1 ZINC000754518710 655869081 /nfs/dbraw/zinc/86/90/81/655869081.db2.gz NENOJGDEJRIASQ-IAQYHMDHSA-N 1 0 383.286 2.558 20 0 GFADRO OCCC[N@@H+]1CCC[C@@H]1CNC(=S)NCCc1ccc(Cl)cc1Cl ZINC000840781006 661187308 /nfs/dbraw/zinc/18/73/08/661187308.db2.gz XTHPHZWZMBNDNP-OAHLLOKOSA-N 1 0 390.380 2.847 20 0 GFADRO Cc1ccc([C@@H](C)[NH2+]CC(=O)Nc2cc(S(N)(=O)=O)ccc2Cl)s1 ZINC000754674074 655871157 /nfs/dbraw/zinc/87/11/57/655871157.db2.gz ZPFSFUAVRDGKAC-SNVBAGLBSA-N 1 0 387.914 2.647 20 0 GFADRO COCC[N@H+](C)CCCC1CCN(C(=O)C(F)(F)c2nccs2)CC1 ZINC000756533358 655901587 /nfs/dbraw/zinc/90/15/87/655901587.db2.gz ZXDSFKVGSFAJDI-UHFFFAOYSA-N 1 0 375.485 2.832 20 0 GFADRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)Nc1cc2c(cc1Br)OCCO2 ZINC000757797290 655916719 /nfs/dbraw/zinc/91/67/19/655916719.db2.gz VAXKOOSWDFTGHB-YGRLFVJLSA-N 1 0 396.285 2.825 20 0 GFADRO CC(C)(C)[N@@H+]1CCCN(C(=O)c2cccnc2I)CC1 ZINC000757923321 655918705 /nfs/dbraw/zinc/91/87/05/655918705.db2.gz HFMRBVOCCVEHLV-UHFFFAOYSA-N 1 0 387.265 2.633 20 0 GFADRO Cc1cc(S(=O)(=O)N[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)cnc1Cl ZINC000757940976 655919377 /nfs/dbraw/zinc/91/93/77/655919377.db2.gz YBQCWOHHAKOFDS-GDBMZVCRSA-N 1 0 379.913 2.985 20 0 GFADRO O=C(C[C@H]1CSCCS1)NC[C@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000758101271 655922945 /nfs/dbraw/zinc/92/29/45/655922945.db2.gz NYDMUWMHULBDDR-IRXDYDNUSA-N 1 0 382.620 2.959 20 0 GFADRO O=c1n(CN2CCC[C@@H]2Cc2ccc(Br)cc2)nc2n1CCCC2 ZINC000758306949 655929075 /nfs/dbraw/zinc/92/90/75/655929075.db2.gz ZYVMGOGVRKIURK-MRXNPFEDSA-N 1 0 391.313 2.808 20 0 GFADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]C[C@@]1(C)CCCS1 ZINC000758487218 655933993 /nfs/dbraw/zinc/93/39/93/655933993.db2.gz UPYBYPMGJZHPLN-IUODEOHRSA-N 1 0 377.963 2.580 20 0 GFADRO C[C@@H](NC(=S)NCC[NH+](C)C)c1nc(-c2ccc(Br)cc2)no1 ZINC000760281152 655974226 /nfs/dbraw/zinc/97/42/26/655974226.db2.gz OTZNIQPSDKKVHQ-SNVBAGLBSA-N 1 0 398.330 2.586 20 0 GFADRO Cc1c(Cl)cccc1NC(=O)CCNC(=S)NCC1CC[NH+](C)CC1 ZINC000760476819 655982175 /nfs/dbraw/zinc/98/21/75/655982175.db2.gz KLOPREVOBHRJQN-UHFFFAOYSA-N 1 0 382.961 2.783 20 0 GFADRO O=C1NC2(CC[NH+](Cc3ccccc3)CC2)C(=O)N1C[C@H]1CC1(Cl)Cl ZINC000760953050 655995022 /nfs/dbraw/zinc/99/50/22/655995022.db2.gz SXAZYKZLUGQRIZ-CQSZACIVSA-N 1 0 382.291 2.767 20 0 GFADRO C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+]Cc1ccc(S(C)(=O)=O)s1 ZINC000840942235 661213419 /nfs/dbraw/zinc/21/34/19/661213419.db2.gz WGCSXIAHHCZXTD-OCCSQVGLSA-N 1 0 388.555 2.887 20 0 GFADRO C[NH+]1CCC2(CCN2C(=O)Cc2cccc(I)c2)CC1 ZINC000761569345 656018591 /nfs/dbraw/zinc/01/85/91/656018591.db2.gz OZQHKTRQHMFBIF-UHFFFAOYSA-N 1 0 384.261 2.530 20 0 GFADRO C[C@H]1CCC[N@@H+]1CCNC(=O)c1cc(F)c(F)cc1I ZINC000761644623 656019280 /nfs/dbraw/zinc/01/92/80/656019280.db2.gz ARBYNGHXBFKUIH-VIFPVBQESA-N 1 0 394.203 2.784 20 0 GFADRO CC(C)[C@H](SCC[NH+](C(C)C)C(C)C)C(=O)N[C@@]1(C)CCS(=O)(=O)C1 ZINC000762199030 656035894 /nfs/dbraw/zinc/03/58/94/656035894.db2.gz MLUFLHGTQHFCQS-WMZOPIPTSA-N 1 0 392.631 2.556 20 0 GFADRO C[N@@H+]1CC[C@H](CNC(=S)NC[C@@H]2CCOC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000762464955 656042983 /nfs/dbraw/zinc/04/29/83/656042983.db2.gz WXIXEQFOJYQYTH-DXCKQFNASA-N 1 0 385.936 2.973 20 0 GFADRO Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1CNC[C@@]1(O)CC[N@@H+](C)C1 ZINC000762556443 656049009 /nfs/dbraw/zinc/04/90/09/656049009.db2.gz SBTIDWRDTVNOBW-SFHVURJKSA-N 1 0 383.323 2.703 20 0 GFADRO C[C@H]1C[C@H](C[NH2+]CCC(C)(C)S(C)(=O)=O)CCN1C(=O)OC(C)(C)C ZINC000840960885 661220996 /nfs/dbraw/zinc/22/09/96/661220996.db2.gz XAZGLBJRIKSHPW-LSDHHAIUSA-N 1 0 376.563 2.825 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)C(=O)NCC[N@@H+]1CCC[C@@H]1C ZINC000764269231 656107245 /nfs/dbraw/zinc/10/72/45/656107245.db2.gz PKUGSLZYEMOAHQ-LBPRGKRZSA-N 1 0 382.302 2.551 20 0 GFADRO Cc1cc(Br)ccc1CN(C)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000764778896 656119215 /nfs/dbraw/zinc/11/92/15/656119215.db2.gz JZJUKVACYVWQKD-DLBZAZTESA-N 1 0 396.329 2.762 20 0 GFADRO Cc1cc(Br)ccc1CN(C)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000764778899 656119516 /nfs/dbraw/zinc/11/95/16/656119516.db2.gz JZJUKVACYVWQKD-SJORKVTESA-N 1 0 396.329 2.762 20 0 GFADRO Cn1ncc(C(=O)N(c2ccccc2)C2CC[NH+](C)CC2)c1Br ZINC000764996115 656125169 /nfs/dbraw/zinc/12/51/69/656125169.db2.gz ZQFFMXOUESCMKE-UHFFFAOYSA-N 1 0 377.286 2.924 20 0 GFADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)N1Cc2ccc(Br)cc2C1 ZINC000765264813 656139032 /nfs/dbraw/zinc/13/90/32/656139032.db2.gz HUKWKIYQIBKHTM-INIZCTEOSA-N 1 0 382.302 2.585 20 0 GFADRO CS(=O)(=O)Nc1cccc(C[NH2+]C[C@H](O)c2cccc(Br)c2)c1 ZINC000765288090 656139599 /nfs/dbraw/zinc/13/95/99/656139599.db2.gz YHVGFSMHHPVYAU-INIZCTEOSA-N 1 0 399.310 2.644 20 0 GFADRO COC(=O)N1CCC[C@@H]([NH2+][C@@H](C)CC(=O)Nc2cccc(Br)c2)C1 ZINC000765629968 656146167 /nfs/dbraw/zinc/14/61/67/656146167.db2.gz KSZURIRZKZRJND-SWLSCSKDSA-N 1 0 398.301 2.987 20 0 GFADRO COc1cc([C@@H](C)[NH2+]CC2(O)CCS(=O)(=O)CC2)ccc1SC(F)F ZINC000766144051 656162886 /nfs/dbraw/zinc/16/28/86/656162886.db2.gz KBMGHFBAIZRSHV-LLVKDONJSA-N 1 0 395.493 2.600 20 0 GFADRO Cc1cc(Br)ncc1NC(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000841141146 661236511 /nfs/dbraw/zinc/23/65/11/661236511.db2.gz JPSICOPECQXGDT-DOMZBBRYSA-N 1 0 383.290 2.513 20 0 GFADRO COc1cc(S(=O)(=O)NC2CC[NH+](C3CCCCC3)CC2)cnc1Cl ZINC000767799771 656220268 /nfs/dbraw/zinc/22/02/68/656220268.db2.gz BGLXHLXOHQDWOY-UHFFFAOYSA-N 1 0 387.933 2.819 20 0 GFADRO Cc1nc(Cc2nn(CN3CCC[C@H]4C[N@H+](C)CC[C@H]43)c(=S)o2)cs1 ZINC000768501817 656240234 /nfs/dbraw/zinc/24/02/34/656240234.db2.gz XAJWHLHIYICJLU-DZGCQCFKSA-N 1 0 379.555 2.935 20 0 GFADRO C[C@@H]1C[N@@H+](CCCCNc2ccc(S(=O)(=O)C(F)F)cc2)C[C@H](C)O1 ZINC000768535142 656241282 /nfs/dbraw/zinc/24/12/82/656241282.db2.gz OHQNXGWEXRYXHU-OKILXGFUSA-N 1 0 376.469 2.984 20 0 GFADRO [NH3+]C1CCC(NC(=O)C(=O)Nc2ccc3cc(Br)ccc3c2)CC1 ZINC000841158776 661240150 /nfs/dbraw/zinc/24/01/50/661240150.db2.gz MTNZONRINFVROW-UHFFFAOYSA-N 1 0 390.281 2.927 20 0 GFADRO CN(CCC[NH3+])C(=O)C(=O)Nc1ccccc1SC[C@H]1CC1(Cl)Cl ZINC000841181309 661242051 /nfs/dbraw/zinc/24/20/51/661242051.db2.gz AGRRYYKBRQUKDE-LLVKDONJSA-N 1 0 390.336 2.718 20 0 GFADRO Cc1ccc(-c2csc(NC(=O)C(=O)N(C)C3CCC([NH3+])CC3)n2)s1 ZINC000841189556 661243179 /nfs/dbraw/zinc/24/31/79/661243179.db2.gz NKTXMMQRTCTGFZ-UHFFFAOYSA-N 1 0 378.523 2.847 20 0 GFADRO C[C@H](CC[NH3+])NC(=O)C(=O)Nc1ccccc1SC[C@@H]1CC1(Cl)Cl ZINC000841204249 661244029 /nfs/dbraw/zinc/24/40/29/661244029.db2.gz SGNVEQUGDGWWFB-MNOVXSKESA-N 1 0 390.336 2.765 20 0 GFADRO OCCCC[NH+]1CCN(Cc2nc(-c3cccc(Br)c3)c[nH]2)CC1 ZINC000769395483 656273662 /nfs/dbraw/zinc/27/36/62/656273662.db2.gz HZNYKFMWPFTWTK-UHFFFAOYSA-N 1 0 393.329 2.729 20 0 GFADRO O=C(Nc1ccc2cc(Br)ccc2c1)C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000841220219 661245317 /nfs/dbraw/zinc/24/53/17/661245317.db2.gz KQMTZVZEXRBMMY-HNNXBMFYSA-N 1 0 390.281 2.799 20 0 GFADRO C[NH+](C)C1(CNC(=O)c2nccn3c(Br)cnc23)CCCCCC1 ZINC000769616594 656282333 /nfs/dbraw/zinc/28/23/33/656282333.db2.gz IXCIEAGGUVBUNH-UHFFFAOYSA-N 1 0 394.317 2.876 20 0 GFADRO [NH3+][C@@H]1CCC[C@H](NC(=O)C(=O)Nc2cccc(Cl)c2SC(F)F)C1 ZINC000841225712 661245782 /nfs/dbraw/zinc/24/57/82/661245782.db2.gz FPZRVPQOHDPMIY-BDAKNGLRSA-N 1 0 377.844 2.979 20 0 GFADRO CC[N@H+](CCO)CCNC(=O)c1ccccc1CSc1nc(C)cs1 ZINC000769636006 656283676 /nfs/dbraw/zinc/28/36/76/656283676.db2.gz SBHIOVBNWBNSAT-UHFFFAOYSA-N 1 0 379.551 2.788 20 0 GFADRO CC(C)[N@H+](C)CC1CCN(C(=O)c2nccn3c(Br)cnc23)CC1 ZINC000769726014 656287951 /nfs/dbraw/zinc/28/79/51/656287951.db2.gz GRRPBBOYCNADJF-UHFFFAOYSA-N 1 0 394.317 2.684 20 0 GFADRO O=C(NC[C@@H]1CCC[NH2+]C1)Nc1cc(C(F)(F)F)cc(Br)n1 ZINC000841241220 661247691 /nfs/dbraw/zinc/24/76/91/661247691.db2.gz HIQSLAROUCIQDN-MRVPVSSYSA-N 1 0 381.196 2.984 20 0 GFADRO CC(C)(C)Sc1ccc(NC(=O)C(=O)N[C@@H](CC[NH3+])C(F)F)cc1F ZINC000841257428 661249741 /nfs/dbraw/zinc/24/97/41/661249741.db2.gz RQNNVBXGEBGZAZ-NSHDSACASA-N 1 0 377.432 2.754 20 0 GFADRO [NH3+]CC[C@H](NC(=O)C(=O)Nc1cccc(Cl)c1SC(F)F)C(F)F ZINC000841257430 661249856 /nfs/dbraw/zinc/24/98/56/661249856.db2.gz RQOJDFYTFNBGHI-QMMMGPOBSA-N 1 0 387.786 2.692 20 0 GFADRO C[C@H](CNC(=O)Cc1ccccc1I)[NH+]1CCCCC1 ZINC000771295271 656345204 /nfs/dbraw/zinc/34/52/04/656345204.db2.gz XJJLUFSAODFXEA-CYBMUJFWSA-N 1 0 386.277 2.824 20 0 GFADRO COCCNS(=O)(=O)c1ccc(C[NH2+][C@H](C)c2ccc(Cl)nc2)cc1 ZINC000771386810 656347805 /nfs/dbraw/zinc/34/78/05/656347805.db2.gz JCDOESMQQDGDAP-CYBMUJFWSA-N 1 0 383.901 2.511 20 0 GFADRO C[NH+](C)C1CCN(C(=O)Cc2noc(-c3cc(Cl)nc(Cl)c3)n2)CC1 ZINC000771472435 656350151 /nfs/dbraw/zinc/35/01/51/656350151.db2.gz LDSFKIHTNOQDQC-UHFFFAOYSA-N 1 0 384.267 2.534 20 0 GFADRO CC[NH+](CC)CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C)CC2)s1 ZINC000772096048 656372408 /nfs/dbraw/zinc/37/24/08/656372408.db2.gz MHBBHCRYHIOVSP-UHFFFAOYSA-N 1 0 388.555 2.667 20 0 GFADRO CC[NH+]1CCC(NC(=O)c2cc(=O)c3cc(Br)ccc3o2)CC1 ZINC000841376989 661256175 /nfs/dbraw/zinc/25/61/75/661256175.db2.gz CLUBXZNPXUMRAC-UHFFFAOYSA-N 1 0 379.254 2.770 20 0 GFADRO CS(=O)(=O)c1cc(C(=O)OCC2CC[NH+](Cc3ccco3)CC2)cs1 ZINC000772693935 656385898 /nfs/dbraw/zinc/38/58/98/656385898.db2.gz NOHYJZVTQKYCGL-UHFFFAOYSA-N 1 0 383.491 2.814 20 0 GFADRO CS[C@@H]1CN(C(=O)C[C@@H](O)c2cc(Cl)cc(Cl)c2)C[C@@H]1[NH+](C)C ZINC000772847310 656391645 /nfs/dbraw/zinc/39/16/45/656391645.db2.gz RQMUTFYFZXBDDB-RRFJBIMHSA-N 1 0 377.337 2.921 20 0 GFADRO Cc1nc([C@H](C)[NH2+]CC2CCN(S(=O)(=O)C(F)(F)F)CC2)c(C)s1 ZINC000772880004 656392248 /nfs/dbraw/zinc/39/22/48/656392248.db2.gz SQUHINKMYDJYNW-VIFPVBQESA-N 1 0 385.477 2.972 20 0 GFADRO CC(C)C[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2c(Cl)nc3sccn32)C1 ZINC000772949951 656395381 /nfs/dbraw/zinc/39/53/81/656395381.db2.gz IDEBKZWPYZJHPD-LBPRGKRZSA-N 1 0 390.962 2.696 20 0 GFADRO CC[C@H]([NH2+]CCS(=O)(=O)N1CCOCC1)c1ccc(Cl)cc1Cl ZINC000772961220 656395795 /nfs/dbraw/zinc/39/57/95/656395795.db2.gz NRXVYAJPSPQEQB-HNNXBMFYSA-N 1 0 381.325 2.696 20 0 GFADRO CN(CCCC[NH+](C)C)C(=O)c1cc(=O)c2cc(Br)ccc2o1 ZINC000841393463 661259118 /nfs/dbraw/zinc/25/91/18/661259118.db2.gz CTIJZNCZQFVIIX-UHFFFAOYSA-N 1 0 381.270 2.969 20 0 GFADRO CCNS(=O)(=O)CC[NH2+][C@H]1c2cc(Br)ccc2SC[C@@H]1C ZINC000775407892 656637003 /nfs/dbraw/zinc/63/70/03/656637003.db2.gz QWYIQPACNJMKGL-IINYFYTJSA-N 1 0 393.372 2.761 20 0 GFADRO CC(C)[C@H]([NH2+]C[C@@H](O)COc1cc(Cl)ccc1Cl)C(=O)N1CCCC1 ZINC000775424555 656638851 /nfs/dbraw/zinc/63/88/51/656638851.db2.gz SIVAQBRRMHBLDS-PBHICJAKSA-N 1 0 389.323 2.970 20 0 GFADRO C[C@@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)C[C@@H](O)c1ccc(F)cc1Cl ZINC000775566147 656650154 /nfs/dbraw/zinc/65/01/54/656650154.db2.gz UFSBBNBQDQLDNR-APPDUMDISA-N 1 0 386.876 2.853 20 0 GFADRO Cc1cnc(Br)cc1NC(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000776056234 656709349 /nfs/dbraw/zinc/70/93/49/656709349.db2.gz OKXNTZHTVHNNFL-UHFFFAOYSA-N 1 0 376.258 2.902 20 0 GFADRO Cc1nn(CC(=O)OC(C)C)c(C)c1C[NH2+][C@@H]1CC[C@H]2SCCS[C@@H]12 ZINC000776256231 656723349 /nfs/dbraw/zinc/72/33/49/656723349.db2.gz NRRDYSFGNCPSNG-NUJGCVRESA-N 1 0 383.583 2.921 20 0 GFADRO OC[C@]1([NH2+][C@@H]2CC[C@@H]3SCCS[C@H]23)CCCN(Cc2ccccc2)C1 ZINC000777027315 656804323 /nfs/dbraw/zinc/80/43/23/656804323.db2.gz WUEUUYAIRFCPJK-WCIQWLHISA-N 1 0 378.607 2.983 20 0 GFADRO O=C(NC1CC[NH+](Cc2ccccn2)CC1)c1scnc1Br ZINC000777796625 656835673 /nfs/dbraw/zinc/83/56/73/656835673.db2.gz CJLACHOLJFPKJD-UHFFFAOYSA-N 1 0 381.299 2.695 20 0 GFADRO CO[C@H](c1ccccc1Cl)[C@@H](C)[NH2+]CCc1ccc(S(N)(=O)=O)cc1 ZINC000778245330 656871187 /nfs/dbraw/zinc/87/11/87/656871187.db2.gz OZCQFRWSAXQKSV-ACJLOTCBSA-N 1 0 382.913 2.896 20 0 GFADRO C[C@H]([C@@H](C)S(C)(=O)=O)[N@H+](C)CC[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000779479530 656929542 /nfs/dbraw/zinc/92/95/42/656929542.db2.gz XKGHQFYKJRKGPO-BZUAXINKSA-N 1 0 376.563 2.777 20 0 GFADRO CC(C)(C)n1cc(C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)c(Br)n1 ZINC000780538695 657012334 /nfs/dbraw/zinc/01/23/34/657012334.db2.gz NEDVRMMBVVIHIU-CYBMUJFWSA-N 1 0 383.334 2.959 20 0 GFADRO CC(C)[NH+]1CCC(NC(=O)COc2cc(Cl)cnc2Br)CC1 ZINC000781607469 657066132 /nfs/dbraw/zinc/06/61/32/657066132.db2.gz GDZBVLJCOVNLLE-UHFFFAOYSA-N 1 0 390.709 2.865 20 0 GFADRO COc1ccc(C(=O)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)nc1Br ZINC000781943045 657091589 /nfs/dbraw/zinc/09/15/89/657091589.db2.gz JLMIHJVGZZGCPS-STQMWFEESA-N 1 0 384.318 2.951 20 0 GFADRO COc1ccc(OC)c([C@@H](O)C[NH2+][C@H](CO)c2ccc(Br)cc2)c1 ZINC000782077903 657100618 /nfs/dbraw/zinc/10/06/18/657100618.db2.gz IIOARHKEUUHLPQ-SJORKVTESA-N 1 0 396.281 2.823 20 0 GFADRO C[C@@H]1CCC[N@@H+]1CCNC(=O)c1ncc(Br)cc1Br ZINC000783920264 657274348 /nfs/dbraw/zinc/27/43/48/657274348.db2.gz JBVGAPRRBWHHKY-SECBINFHSA-N 1 0 391.107 2.821 20 0 GFADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]C[C@H]1CCCCS1 ZINC000784618125 657319214 /nfs/dbraw/zinc/31/92/14/657319214.db2.gz UVPWJWBEOCWSCJ-CHWSQXEVSA-N 1 0 377.963 2.580 20 0 GFADRO CC[NH+](CC)CCOC(=O)CCOc1ccccc1I ZINC000785168354 657345126 /nfs/dbraw/zinc/34/51/26/657345126.db2.gz MKKCFRKYSJTSNM-UHFFFAOYSA-N 1 0 391.249 2.945 20 0 GFADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1S(=O)(=O)/C=C\c1cccc(Cl)c1 ZINC000785312154 657354040 /nfs/dbraw/zinc/35/40/40/657354040.db2.gz IBZCPOGXQIWJOM-XCHKQJEOSA-N 1 0 384.929 2.826 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CNC(=S)NCCN1CCc2c(Cl)cccc2C1 ZINC000785476710 657367168 /nfs/dbraw/zinc/36/71/68/657367168.db2.gz YMIUQDJPJFYXHY-MRXNPFEDSA-N 1 0 380.989 2.647 20 0 GFADRO C[C@H]([NH2+]Cc1cc(Br)nn1C)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000785475785 657367275 /nfs/dbraw/zinc/36/72/75/657367275.db2.gz SNVGYYAUQWCKMH-WMLDXEAASA-N 1 0 393.329 2.562 20 0 GFADRO CC[C@@H](C(=O)NCc1ccc(C(=O)OC)cc1Br)[NH+](CC)CC ZINC000785849765 657389782 /nfs/dbraw/zinc/38/97/82/657389782.db2.gz PXHCJPXOCMYXES-HNNXBMFYSA-N 1 0 385.302 2.972 20 0 GFADRO CC(C)([NH2+]Cc1nnnn1-c1ccccc1Br)C1CCOCC1 ZINC000786154085 657411361 /nfs/dbraw/zinc/41/13/61/657411361.db2.gz VWMKZSACRODFOH-UHFFFAOYSA-N 1 0 380.290 2.720 20 0 GFADRO COc1cc2c(cc1OC)CC[NH+](Cc1cc(Br)nn1C)CC2 ZINC000787130441 657519423 /nfs/dbraw/zinc/51/94/23/657519423.db2.gz TYMZJEQAMIFHFL-UHFFFAOYSA-N 1 0 380.286 2.801 20 0 GFADRO CC(C)[N@@H+](Cc1cc(Br)nn1C)C[C@@H](O)COc1ccccc1 ZINC000787292217 657540491 /nfs/dbraw/zinc/54/04/91/657540491.db2.gz YUBPAJYQYJYZJA-OAHLLOKOSA-N 1 0 382.302 2.833 20 0 GFADRO COc1ccccc1[C@H](CNC(=O)c1cc(Br)n[nH]1)[NH+]1CCCC1 ZINC000788264242 657685435 /nfs/dbraw/zinc/68/54/35/657685435.db2.gz VKJNVKDKDYKNSR-AWEZNQCLSA-N 1 0 393.285 2.748 20 0 GFADRO CC[NH+](CC)[C@@H](CNC(=O)c1cc(Br)n[nH]1)Cc1ccccc1 ZINC000788279951 657687812 /nfs/dbraw/zinc/68/78/12/657687812.db2.gz HXJHXARKRBAXLG-CQSZACIVSA-N 1 0 379.302 2.855 20 0 GFADRO Cc1cc(S(=O)(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)sc1Cl ZINC000788891896 657793928 /nfs/dbraw/zinc/79/39/28/657793928.db2.gz GMZNJDIINUGOME-ZDUSSCGKSA-N 1 0 378.947 2.632 20 0 GFADRO Cn1ncc(C(=O)Nc2cccc3c2OCC[C@H]3[NH+](C)C)c1Br ZINC000790244673 657940922 /nfs/dbraw/zinc/94/09/22/657940922.db2.gz XTFKFVOCMOLPFE-CYBMUJFWSA-N 1 0 379.258 2.820 20 0 GFADRO CN(Cc1ccc(Br)cc1)CN1C[C@@]2(C[NH+]3CCC2CC3)OC1=O ZINC000790360633 657959600 /nfs/dbraw/zinc/95/96/00/657959600.db2.gz LJBFIVFXEKJAOS-GOSISDBHSA-N 1 0 394.313 2.755 20 0 GFADRO O=S1(=O)CCC(CC[NH2+]Cc2cnn(Cc3ccccc3)c2Cl)CC1 ZINC000790567306 657998963 /nfs/dbraw/zinc/99/89/63/657998963.db2.gz GOUUGVVUYGFTPG-UHFFFAOYSA-N 1 0 381.929 2.889 20 0 GFADRO C[C@H]1C[C@H](NC(=O)c2nc(Br)ccc2Br)CC[N@@H+]1C ZINC000790675263 658011748 /nfs/dbraw/zinc/01/17/48/658011748.db2.gz VXDCMQMIZIUKMO-DTWKUNHWSA-N 1 0 391.107 2.819 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)c1nc(Br)ccc1F)Cc1ccccc1 ZINC000792026976 658223060 /nfs/dbraw/zinc/22/30/60/658223060.db2.gz CJYQKXWPGIRDSI-ZDUSSCGKSA-N 1 0 380.261 2.886 20 0 GFADRO CC(C)[C@@H](CC[N@H+](C)C[C@H]1CCCS(=O)(=O)C1)NC(=O)OC(C)(C)C ZINC000792870966 658325013 /nfs/dbraw/zinc/32/50/13/658325013.db2.gz KJWSYJGTAPBBRP-HZPDHXFCSA-N 1 0 376.563 2.682 20 0 GFADRO C[C@H](CCc1ccc(I)cc1)[NH2+]C[C@@H](O)c1cnn(C)c1 ZINC000793003171 658344602 /nfs/dbraw/zinc/34/46/02/658344602.db2.gz DEKZLDMSDWYJOO-MLGOLLRUSA-N 1 0 399.276 2.669 20 0 GFADRO COC(=O)c1ccc(C[NH+]2CCC(C3OCCO3)CC2)c(Br)c1 ZINC000793580305 658408830 /nfs/dbraw/zinc/40/88/30/658408830.db2.gz PHDDFBZSVALROQ-UHFFFAOYSA-N 1 0 384.270 2.821 20 0 GFADRO CSc1nc2ccc(NC(=O)N3CC[N@H+](C[C@H](C)O)C[C@@H]3C)cc2s1 ZINC000793980908 658466982 /nfs/dbraw/zinc/46/69/82/658466982.db2.gz DMKQJEAFEHYVGI-RYUDHWBXSA-N 1 0 380.539 2.937 20 0 GFADRO COCCC[NH+]1CCC(NC(=O)Nc2ccc(C)c(Br)n2)CC1 ZINC000794360689 658529445 /nfs/dbraw/zinc/52/94/45/658529445.db2.gz YKBZBTFUBVZCNC-UHFFFAOYSA-N 1 0 385.306 2.775 20 0 GFADRO Cc1ccc(NC(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)nc1Br ZINC000794369745 658534201 /nfs/dbraw/zinc/53/42/01/658534201.db2.gz UZHNJNNGDXFWCA-ZDUSSCGKSA-N 1 0 397.317 2.775 20 0 GFADRO C[NH+]1CCC([C@@H]2CCN(Cn3c(=O)oc4cccc(Br)c43)C2)CC1 ZINC000794636410 658588151 /nfs/dbraw/zinc/58/81/51/658588151.db2.gz IVQMRJYELLXKBW-CQSZACIVSA-N 1 0 394.313 2.978 20 0 GFADRO CCNS(=O)(=O)CC[NH2+][C@H]1CC(C)(C)c2ccc(Br)cc21 ZINC000794811994 658617131 /nfs/dbraw/zinc/61/71/31/658617131.db2.gz VCDGSOHSINXSBX-AWEZNQCLSA-N 1 0 375.332 2.700 20 0 GFADRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1Cn1c2cc(Br)ccc2oc1=O ZINC000795702324 658842960 /nfs/dbraw/zinc/84/29/60/658842960.db2.gz DWYIXNFOQDWTFK-OCCSQVGLSA-N 1 0 380.286 2.873 20 0 GFADRO OCC[C@H](Cc1ccccc1)[NH2+]Cc1ncc(I)s1 ZINC000796377037 658914293 /nfs/dbraw/zinc/91/42/93/658914293.db2.gz OYEXUGAGSBHPMJ-GFCCVEGCSA-N 1 0 388.274 2.831 20 0 GFADRO C[C@H](C[C@@H]1CCOC1)[NH2+]CCNS(=O)(=O)c1cccc(Cl)c1Cl ZINC000797035392 658966465 /nfs/dbraw/zinc/96/64/65/658966465.db2.gz CFOLPHOEOUYZIE-NEPJUHHUSA-N 1 0 381.325 2.676 20 0 GFADRO O=C1N[C@H]2CC[N@@H+](Cc3cnn(-c4ccc(Br)cc4)c3)C[C@@H]2CO1 ZINC000798958538 659159009 /nfs/dbraw/zinc/15/90/09/659159009.db2.gz CHNIGFXAJJXZKX-CJNGLKHVSA-N 1 0 391.269 2.565 20 0 GFADRO O=S(=O)(N1CCC(C[NH2+]C2CCC(C(F)F)CC2)CC1)C(F)(F)F ZINC000799717553 659217316 /nfs/dbraw/zinc/21/73/16/659217316.db2.gz PTEVTDPMGOBVCP-UHFFFAOYSA-N 1 0 378.407 2.962 20 0 GFADRO C[NH+]1CCC(NC(=S)N[C@H]2CCOc3c(Br)cccc32)CC1 ZINC000799899494 659239481 /nfs/dbraw/zinc/23/94/81/659239481.db2.gz WRQQQDWZOZKVLR-AWEZNQCLSA-N 1 0 384.343 2.831 20 0 GFADRO O=C(CS(=O)(=O)Cc1ccc(Cl)s1)OCCC[NH+]1CCCCC1 ZINC000800101801 659269341 /nfs/dbraw/zinc/26/93/41/659269341.db2.gz VQLNNHCRUBEMOC-UHFFFAOYSA-N 1 0 379.931 2.736 20 0 GFADRO O=C(CNC(=O)c1cccc(Br)c1)OCCC[NH+]1CCCCC1 ZINC000800110780 659271466 /nfs/dbraw/zinc/27/14/66/659271466.db2.gz DXLRICVFWVUSDY-UHFFFAOYSA-N 1 0 383.286 2.598 20 0 GFADRO CC[NH+](CC)CCCOC(=O)c1cc(S(=O)(=O)N2CCC2)ccc1Cl ZINC000800177702 659285527 /nfs/dbraw/zinc/28/55/27/659285527.db2.gz LTKSKCLWRUDBTB-UHFFFAOYSA-N 1 0 388.917 2.623 20 0 GFADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)NC[C@H](O)c1cccc(Br)c1 ZINC000800711861 659328256 /nfs/dbraw/zinc/32/82/56/659328256.db2.gz KJQKODFPIUGKSL-HOTGVXAUSA-N 1 0 384.318 2.656 20 0 GFADRO CC[C@H](C[NH+]1CCCC1)NC(=O)NC[C@H](O)c1cccc(Br)c1 ZINC000800711859 659328288 /nfs/dbraw/zinc/32/82/88/659328288.db2.gz KJQKODFPIUGKSL-CVEARBPZSA-N 1 0 384.318 2.656 20 0 GFADRO CC1CC[NH+](CCCNS(=O)(=O)c2cc3c(cc2Cl)CCC3=O)CC1 ZINC000800831820 659334235 /nfs/dbraw/zinc/33/42/35/659334235.db2.gz IDILJIPHLWWWJT-UHFFFAOYSA-N 1 0 384.929 2.869 20 0 GFADRO CC[NH+](CC)C[C@H]1CCN(S(=O)(=O)c2cc3c(cc2Cl)CCC3=O)C1 ZINC000800919565 659349051 /nfs/dbraw/zinc/34/90/51/659349051.db2.gz TYGNTBOZQMVKGN-CYBMUJFWSA-N 1 0 384.929 2.821 20 0 GFADRO Cc1nn(C)c(Br)c1C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000801098466 659367938 /nfs/dbraw/zinc/36/79/38/659367938.db2.gz FDERZWAUWPOBPC-ZFWWWQNUSA-N 1 0 377.286 2.666 20 0 GFADRO Cc1nn(C)c(Br)c1C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000801099503 659368645 /nfs/dbraw/zinc/36/86/45/659368645.db2.gz REXBZARBRQYGLC-JSGCOSHPSA-N 1 0 381.318 2.580 20 0 GFADRO Cc1nn(C)c(Br)c1C(=O)N(Cc1ccco1)C1CC[NH+](C)CC1 ZINC000801155341 659371831 /nfs/dbraw/zinc/37/18/31/659371831.db2.gz TZSDJQDCQLFMNE-UHFFFAOYSA-N 1 0 395.301 2.821 20 0 GFADRO CCN1CC[C@@H]([NH2+]CCCCS(C)(=O)=O)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000801955599 659436936 /nfs/dbraw/zinc/43/69/36/659436936.db2.gz QKAQKVQSAGRJIK-WBVHZDCISA-N 1 0 378.460 2.654 20 0 GFADRO O=C1c2cc(Br)ccc2CN1CN1CC[NH+](C2CCCC2)CC1 ZINC000802725439 659497061 /nfs/dbraw/zinc/49/70/61/659497061.db2.gz HDHZLPURKDAWFL-UHFFFAOYSA-N 1 0 378.314 2.923 20 0 GFADRO O=C(N[C@H]1CCc2cncn2C1)c1cnn(-c2ccccc2)c1Br ZINC000804335670 659634959 /nfs/dbraw/zinc/63/49/59/659634959.db2.gz CYVHUCNMDBWQTO-LBPRGKRZSA-N 1 0 386.253 2.576 20 0 GFADRO C[C@@H](CC(=O)c1cccc(Br)c1)C(=O)N[C@@H]1CCc2cncn2C1 ZINC000804334012 659634992 /nfs/dbraw/zinc/63/49/92/659634992.db2.gz VVEAYGDGTABYAS-SWLSCSKDSA-N 1 0 390.281 2.986 20 0 GFADRO Cc1nc(Cl)ccc1S(=O)(=O)N(CCc1ccccc1)CC[NH+](C)C ZINC000804951554 659702790 /nfs/dbraw/zinc/70/27/90/659702790.db2.gz URVJYAZDQGHKJZ-UHFFFAOYSA-N 1 0 381.929 2.838 20 0 GFADRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(S(=O)(=O)c2cnc(Cl)c(F)c2)C1 ZINC000804963038 659703803 /nfs/dbraw/zinc/70/38/03/659703803.db2.gz ODXBAAUNDVIVCN-JHJVBQTASA-N 1 0 375.897 2.900 20 0 GFADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1nc(Br)sc1C1CC1 ZINC000806773472 659841246 /nfs/dbraw/zinc/84/12/46/659841246.db2.gz QKEZLYQNHUQUDJ-LLVKDONJSA-N 1 0 388.331 2.624 20 0 GFADRO C[C@]12CCN(C(=O)NC3CC[NH+](C[C@H]4CCCO4)CC3)C[C@H]1C2(Cl)Cl ZINC000806814020 659842455 /nfs/dbraw/zinc/84/24/55/659842455.db2.gz HFOWUOBWUNIBKE-INMHGKMJSA-N 1 0 390.355 2.855 20 0 GFADRO CC(=O)N(c1nn(CN2CC[C@H]([NH+]3CCCC3)[C@@H]2C)c(=S)s1)C1CC1 ZINC000808190241 659880904 /nfs/dbraw/zinc/88/09/04/659880904.db2.gz FMUZASWNHAIKLJ-WFASDCNBSA-N 1 0 381.571 2.705 20 0 GFADRO Cc1nn(Cc2ccccc2)c(Cl)c1C[NH2+]C[C@H]1CCCS(=O)(=O)C1 ZINC000808426806 659893807 /nfs/dbraw/zinc/89/38/07/659893807.db2.gz HTBIRNXYJZYKEJ-MRXNPFEDSA-N 1 0 381.929 2.808 20 0 GFADRO C[NH+](C)C1CCN(c2ccc(NS(=O)(=O)CCCCF)cc2F)CC1 ZINC000808535280 659897280 /nfs/dbraw/zinc/89/72/80/659897280.db2.gz GAKBCJYWKUFMLQ-UHFFFAOYSA-N 1 0 375.485 2.848 20 0 GFADRO COC(=O)C[C@@H]([NH2+]C1CCN(C(=O)OC)CC1)c1cccc(Br)c1 ZINC000809763331 659938395 /nfs/dbraw/zinc/93/83/95/659938395.db2.gz AGONBBIFBCRMRX-OAHLLOKOSA-N 1 0 399.285 2.874 20 0 GFADRO Brc1ccn2cc(CNC3CC[NH+](C[C@@H]4CCCO4)CC3)nc2c1 ZINC000810144647 659964322 /nfs/dbraw/zinc/96/43/22/659964322.db2.gz DGOXLNXWUGIFQT-KRWDZBQOSA-N 1 0 393.329 2.830 20 0 GFADRO CON(C)C(=O)[C@H](CCSC)[NH2+][C@@H](C)c1ccc(Br)nc1 ZINC000810227274 659967124 /nfs/dbraw/zinc/96/71/24/659967124.db2.gz BEEJPVQUFSRSSC-JQWIXIFHSA-N 1 0 376.320 2.636 20 0 GFADRO Cn1nnc(Br)c1C(=O)N[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000810435028 659973126 /nfs/dbraw/zinc/97/31/26/659973126.db2.gz SLWGNCQASOXOGW-CQSZACIVSA-N 1 0 392.301 2.535 20 0 GFADRO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)c2c(Br)nnn2C)CC1 ZINC000810567924 659977854 /nfs/dbraw/zinc/97/78/54/659977854.db2.gz QRVLXUZMGMJUQC-ZDUSSCGKSA-N 1 0 398.349 2.694 20 0 GFADRO Cc1cc(Br)oc1C(=O)O[C@H]1CCCN(c2cc[nH+]c(N)n2)C1 ZINC000810765106 659985075 /nfs/dbraw/zinc/98/50/75/659985075.db2.gz PXJYZVVNSZGVHE-JTQLQIEISA-N 1 0 381.230 2.549 20 0 GFADRO Cc1c(Br)cccc1C(=O)O[C@@H]1CCCN(c2cc[nH+]c(N)n2)C1 ZINC000810771199 659985355 /nfs/dbraw/zinc/98/53/55/659985355.db2.gz SXZKSDBESFVCRE-GFCCVEGCSA-N 1 0 391.269 2.956 20 0 GFADRO O=C(O[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cn(-c2ccccc2Br)nn1 ZINC000810837846 659988021 /nfs/dbraw/zinc/98/80/21/659988021.db2.gz PJSLJQSKIYTDHK-CHWSQXEVSA-N 1 0 391.269 2.813 20 0 GFADRO CCCC[N@H+](C)C[C@@H](C)NC(=O)c1cn(-c2ccccc2Br)nn1 ZINC000811601660 660013206 /nfs/dbraw/zinc/01/32/06/660013206.db2.gz YJVWUQBZWRRKKW-CYBMUJFWSA-N 1 0 394.317 2.880 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(C(=O)C[C@@H]3Sc4ccc(Cl)cc4NC3=O)C[C@@H]2C1 ZINC000812334515 660024739 /nfs/dbraw/zinc/02/47/39/660024739.db2.gz RXLFNYVAPJJMKF-WQGACYEGSA-N 1 0 379.913 2.553 20 0 GFADRO C[N@@H+]1CC[C@]2(CCN(S(=O)(=O)/C=C\c3cccc(Br)c3)C2)C1 ZINC000813760236 660063438 /nfs/dbraw/zinc/06/34/38/660063438.db2.gz PNYAQCZAANJPBH-AVFOEOQDSA-N 1 0 385.327 2.777 20 0 GFADRO CS[C@H]1CN(S(=O)(=O)c2ccc3nc(Cl)c(C)cc3c2)C[C@@H]1[NH+](C)C ZINC000815028549 660103952 /nfs/dbraw/zinc/10/39/52/660103952.db2.gz BMCBHKDEQFDBCF-HOTGVXAUSA-N 1 0 399.969 2.863 20 0 GFADRO Cn1ncc(CCC[NH2+]Cc2cccc(Br)c2OC(F)F)n1 ZINC000815144157 660114520 /nfs/dbraw/zinc/11/45/20/660114520.db2.gz AQBCOYQFQMEBJA-UHFFFAOYSA-N 1 0 375.217 2.901 20 0 GFADRO C[NH+](C)CCC1CCN(C(=O)c2cn3c(Br)cnc3s2)CC1 ZINC000815596633 660126302 /nfs/dbraw/zinc/12/63/02/660126302.db2.gz ZFDQPUBQSIZJKU-UHFFFAOYSA-N 1 0 385.331 2.962 20 0 GFADRO C[C@@H](CCc1ccc(I)cc1)[NH2+]CCCc1cnn(C)n1 ZINC000815639699 660127111 /nfs/dbraw/zinc/12/71/11/660127111.db2.gz FFVXPGXKDPBCOQ-ZDUSSCGKSA-N 1 0 398.292 2.963 20 0 GFADRO CSc1nc2ccc(NC(=O)N3C[C@H](C)N(CCO)C[C@H]3C)cc2s1 ZINC000841596777 661306617 /nfs/dbraw/zinc/30/66/17/661306617.db2.gz LWIDQDHOHSDYMB-NWDGAFQWSA-N 1 0 380.539 2.937 20 0 GFADRO [NH3+]C1(CNC(=O)N[C@@H]2CC[C@@H]3SCCS[C@H]23)C2CC3CC(C2)CC1C3 ZINC000841867663 661316896 /nfs/dbraw/zinc/31/68/96/661316896.db2.gz LNMQPJBNTPGURC-NPXNYRBBSA-N 1 0 381.611 2.819 20 0 GFADRO CN(C(=O)N[C@H]1COc2cc(F)c(Br)cc21)C1CCC([NH3+])CC1 ZINC000841896637 661317550 /nfs/dbraw/zinc/31/75/50/661317550.db2.gz NJGHDKLUZWKZFM-FDZGAKKTSA-N 1 0 386.265 2.933 20 0 GFADRO O=C(NCC[C@H]1CC[NH2+]C1)N1CCO[C@H](c2ccccc2Br)C1 ZINC000841937836 661317904 /nfs/dbraw/zinc/31/79/04/661317904.db2.gz CNWJLHJAKRXJSD-CJNGLKHVSA-N 1 0 382.302 2.532 20 0 GFADRO CC(C)C[C@@H](C[NH3+])NC(=O)N1CCO[C@@H](c2ccccc2Br)C1 ZINC000841953779 661318483 /nfs/dbraw/zinc/31/84/83/661318483.db2.gz LNBLDOKRLMADFE-XJKSGUPXSA-N 1 0 384.318 2.905 20 0 GFADRO [NH3+]CCC[C@H](NS(=O)(=O)c1c(Cl)nc2sccn21)c1ccccc1 ZINC000842480886 661341227 /nfs/dbraw/zinc/34/12/27/661341227.db2.gz BQIKLLOFFKWKTF-LBPRGKRZSA-N 1 0 384.914 2.808 20 0 GFADRO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(S(=O)(=O)/C=C/c2cccc(Cl)c2)CC1 ZINC000842485568 661342033 /nfs/dbraw/zinc/34/20/33/661342033.db2.gz KSEVLCQZOBHQLV-YJZJKARDSA-N 1 0 384.929 2.859 20 0 GFADRO C[NH2+]C[C@@H](C)c1noc([C@H]2CCN(c3cccc(Br)c3)C2=O)n1 ZINC000842578782 661344155 /nfs/dbraw/zinc/34/41/55/661344155.db2.gz HMBOAYDTWJDVIS-ZWNOBZJWSA-N 1 0 379.258 2.676 20 0 GFADRO C[NH2+]C[C@@H](C)c1noc([C@@H]2CCN(c3cccc(Br)c3)C2=O)n1 ZINC000842578781 661344168 /nfs/dbraw/zinc/34/41/68/661344168.db2.gz HMBOAYDTWJDVIS-MFKMUULPSA-N 1 0 379.258 2.676 20 0 GFADRO COC(=O)c1sc(S(=O)(=O)N[C@H](C[NH3+])C2CCCCC2)c(C)c1Cl ZINC000842723254 661351264 /nfs/dbraw/zinc/35/12/64/661351264.db2.gz WAYSEGHKUDZTCZ-LLVKDONJSA-N 1 0 394.946 2.682 20 0 GFADRO COc1ccc2nc(Cl)ccc2c1S(=O)(=O)N(C)C1CCC([NH3+])CC1 ZINC000842736440 661351625 /nfs/dbraw/zinc/35/16/25/661351625.db2.gz CPJTYVVRVRDHFI-UHFFFAOYSA-N 1 0 383.901 2.787 20 0 GFADRO Cc1cc(F)c(Br)cc1S(=O)(=O)N(C)C1CCC([NH3+])CC1 ZINC000842738075 661351863 /nfs/dbraw/zinc/35/18/63/661351863.db2.gz UQSYMVHMCOKQOM-UHFFFAOYSA-N 1 0 379.295 2.787 20 0 GFADRO O=S(=O)(/C=C/c1ccccc1Br)N1CCC2(CC[NH2+]C2)CC1 ZINC000842871081 661358153 /nfs/dbraw/zinc/35/81/53/661358153.db2.gz KVLCDHYOCCDEFA-LFYBBSHMSA-N 1 0 385.327 2.825 20 0 GFADRO O[C@H](C[NH2+]C[C@@H](O)c1cccc(Br)c1)COc1cccc(F)c1 ZINC000843064242 661365689 /nfs/dbraw/zinc/36/56/89/661365689.db2.gz GBVHGUUJZVWZAR-NVXWUHKLSA-N 1 0 384.245 2.651 20 0 GFADRO OC[C@H](Cc1ccc(O)cc1)[NH2+]C[C@@H](O)c1ccc(F)c(Br)c1 ZINC000843063726 661365803 /nfs/dbraw/zinc/36/58/03/661365803.db2.gz AHHWYHZYFKAWBC-SUMWQHHRSA-N 1 0 384.245 2.520 20 0 GFADRO C[C@@](O)(C[NH2+]C[C@H](O)Cc1ccccc1)c1ccc(Br)cc1F ZINC000843071495 661366342 /nfs/dbraw/zinc/36/63/42/661366342.db2.gz KEVFMKPXZLWZTP-CRAIPNDOSA-N 1 0 382.273 2.989 20 0 GFADRO O[C@H](C[NH2+]C[C@H](O)c1cccc(C(F)(F)F)c1)COCc1cccs1 ZINC000843072351 661366369 /nfs/dbraw/zinc/36/63/69/661366369.db2.gz GZMZAXMFMFMPTP-ZBFHGGJFSA-N 1 0 375.412 2.968 20 0 GFADRO CN(C[C@H](O)C[NH2+]C[C@@H](O)c1ccc(Cl)cc1Cl)C(=O)OC(C)(C)C ZINC000843075789 661366778 /nfs/dbraw/zinc/36/67/78/661366778.db2.gz PFHNLJZVUGOLRJ-IUODEOHRSA-N 1 0 393.311 2.844 20 0 GFADRO O[C@H](C[NH2+]C[C@H](O)c1ccccc1Br)COc1ccccc1F ZINC000843094402 661367697 /nfs/dbraw/zinc/36/76/97/661367697.db2.gz JOYBCYWJNKBZOV-WBMJQRKESA-N 1 0 384.245 2.651 20 0 GFADRO O[C@@H](C[NH2+]C[C@H](O)COc1ccccc1Br)c1ccccc1F ZINC000843098465 661367978 /nfs/dbraw/zinc/36/79/78/661367978.db2.gz XFRBMBHTCHNASI-LRDDRELGSA-N 1 0 384.245 2.651 20 0 GFADRO Cc1ccc([C@@H](O)C[NH2+]C[C@H](O)COc2ccc(Br)cc2)cc1 ZINC000843109071 661368254 /nfs/dbraw/zinc/36/82/54/661368254.db2.gz XJRIOEIITAWSEM-WMZOPIPTSA-N 1 0 380.282 2.820 20 0 GFADRO Cc1ccc([C@@H](O)C[NH2+]C[C@H](O)COc2cccc(Br)c2)cc1 ZINC000843107723 661368314 /nfs/dbraw/zinc/36/83/14/661368314.db2.gz ILUMHIXNKZXBPO-WMZOPIPTSA-N 1 0 380.282 2.820 20 0 GFADRO OCC1([C@H]([NH2+]C[C@H](O)c2ccc(Br)cc2)[C@H]2CCCO2)CCC1 ZINC000843114100 661369129 /nfs/dbraw/zinc/36/91/29/661369129.db2.gz CXSKQSUHSUUWSK-GVDBMIGSSA-N 1 0 384.314 2.782 20 0 GFADRO CN(Cc1nc(CC2CC[NH2+]CC2)no1)C(=O)c1ccc(Br)s1 ZINC000843133787 661370597 /nfs/dbraw/zinc/37/05/97/661370597.db2.gz VMEOFWYARNKISQ-UHFFFAOYSA-N 1 0 399.314 2.708 20 0 GFADRO Brc1cc(Cc2noc(C[NH2+]CC3CC3)n2)cc2c1OCCO2 ZINC000843203141 661372400 /nfs/dbraw/zinc/37/24/00/661372400.db2.gz PNKJBGAZFDDBHI-UHFFFAOYSA-N 1 0 380.242 2.694 20 0 GFADRO COc1ccc(Cc2noc(C[C@@H]3CCC[NH2+]3)n2)c(Br)c1OC ZINC000843203696 661372412 /nfs/dbraw/zinc/37/24/12/661372412.db2.gz WIEHFRZJYXGHCV-NSHDSACASA-N 1 0 382.258 2.735 20 0 GFADRO Fc1ccc(Br)c(F)c1Cc1noc(C[C@@H]2CSCC[NH2+]2)n1 ZINC000843227784 661374085 /nfs/dbraw/zinc/37/40/85/661374085.db2.gz GQIVJWISPYWUIW-MRVPVSSYSA-N 1 0 390.253 2.949 20 0 GFADRO OC[C@@]1([C@H]([NH2+]Cc2cc(Br)cnc2Cl)C2CC2)CCCO1 ZINC000843412980 661380599 /nfs/dbraw/zinc/38/05/99/661380599.db2.gz XZKZJNPQLOMKFP-UKRRQHHQSA-N 1 0 375.694 2.907 20 0 GFADRO O=C(CO[C@H]1CCC[NH2+]C1)N1CCO[C@H](c2cc(F)c(Cl)cc2Cl)C1 ZINC000843431630 661381051 /nfs/dbraw/zinc/38/10/51/661381051.db2.gz JCSLTPNXYLAVKP-ZBEGNZNMSA-N 1 0 391.270 2.801 20 0 GFADRO COc1cc(/C=C\C(=O)NCCC[NH+]2CCCC2)cc(Br)c1O ZINC000843439557 661381749 /nfs/dbraw/zinc/38/17/49/661381749.db2.gz KMGMVFHKWTWMJY-WAYWQWQTSA-N 1 0 383.286 2.779 20 0 GFADRO CC(=O)N[C@H](CC(=O)NCCCCCC[NH3+])c1ccc(Br)cc1 ZINC000843510483 661383723 /nfs/dbraw/zinc/38/37/23/661383723.db2.gz RIOKSPWWGSNNMS-MRXNPFEDSA-N 1 0 384.318 2.652 20 0 GFADRO C[C@H](CNC(=O)c1c2ccc(Br)cc2nn1C)[NH+]1CCCCC1 ZINC000843770454 661392161 /nfs/dbraw/zinc/39/21/61/661392161.db2.gz SAQBZKIRUKSDHQ-GFCCVEGCSA-N 1 0 379.302 2.940 20 0 GFADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)C(F)(F)c1cccc(Cl)c1Cl ZINC000843793302 661392697 /nfs/dbraw/zinc/39/26/97/661392697.db2.gz XIICHERNWSHNQZ-LLVKDONJSA-N 1 0 380.266 2.837 20 0 GFADRO [NH3+]Cc1cccc(C(=O)Nc2cc(Br)ccc2N2CCOCC2)c1 ZINC000844166648 661408979 /nfs/dbraw/zinc/40/89/79/661408979.db2.gz KYMOSHMUGYQXSY-UHFFFAOYSA-N 1 0 390.281 2.997 20 0 GFADRO C[C@@H](C(=O)Nc1cccc(I)c1)N1C[C@H]2[C@@H](C1)C2(F)F ZINC000844450121 661421166 /nfs/dbraw/zinc/42/11/66/661421166.db2.gz FQJAHPSQQKTVBM-KPXOXKRLSA-N 1 0 392.187 2.815 20 0 GFADRO C[C@]1(O)CCC[N@H+](CN2CC(c3ccc(Br)cc3)=CC2=O)CC1 ZINC000844704319 661436070 /nfs/dbraw/zinc/43/60/70/661436070.db2.gz MLVFTZZZIAPBSV-SFHVURJKSA-N 1 0 379.298 2.869 20 0 GFADRO CC(C)[C@H](CNC(=O)NCCC[C@@H]1CC1(Cl)Cl)[NH+]1CCN(C)CC1 ZINC000844870150 661445585 /nfs/dbraw/zinc/44/55/85/661445585.db2.gz XXDLLOUSASKONM-CABCVRRESA-N 1 0 379.376 2.532 20 0 GFADRO O=C(C[C@H]1C=CS(=O)(=O)C1)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000844888875 661446228 /nfs/dbraw/zinc/44/62/28/661446228.db2.gz IREPKXZASMCNEA-OAHLLOKOSA-N 1 0 380.535 2.761 20 0 GFADRO CCN1CC[NH+](C[C@H](C)CNC(=O)NCCC[C@H]2CC2(Cl)Cl)CC1 ZINC000845011332 661453021 /nfs/dbraw/zinc/45/30/21/661453021.db2.gz OSVFYXCWAGXCMA-CABCVRRESA-N 1 0 379.376 2.533 20 0 GFADRO Cn1nc(C(F)(F)F)c(CN2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)c1Cl ZINC000846227401 661538871 /nfs/dbraw/zinc/53/88/71/661538871.db2.gz QJDQCNHWMATUCD-RAIGVLPGSA-N 1 0 380.842 2.953 20 0 GFADRO Cc1csc([C@@](O)(CC(=O)NCCC[N@@H+](C)CC(C)C)C(F)(F)F)n1 ZINC000846291891 661543850 /nfs/dbraw/zinc/54/38/50/661543850.db2.gz VCKQAFDWVFDQRU-HNNXBMFYSA-N 1 0 381.464 2.686 20 0 GFADRO C[C@H](CC(=O)c1cccc(Br)c1)C(=O)NOC1CC[NH+](C)CC1 ZINC000846648607 661560794 /nfs/dbraw/zinc/56/07/94/661560794.db2.gz UQTBCROMPWFWAZ-GFCCVEGCSA-N 1 0 383.286 2.800 20 0 GFADRO CCN1C[C@@H](C[NH2+]C2(c3cccc(Br)c3)CCOCC2)OC1=O ZINC000846822939 661567136 /nfs/dbraw/zinc/56/71/36/661567136.db2.gz GWXIQAPDPUHYOG-OAHLLOKOSA-N 1 0 383.286 2.885 20 0 GFADRO CN(CCC[NH+]1CCCC1)C(=O)[C@@]1(C)CC1(Br)Br ZINC000847099979 661576394 /nfs/dbraw/zinc/57/63/94/661576394.db2.gz RWLYFPSMHKMGCD-GFCCVEGCSA-N 1 0 382.140 2.827 20 0 GFADRO CC[C@H]1C[N@H+](C)CCCN1C(=O)c1cn(-c2ccccc2Br)nn1 ZINC000846968143 661572050 /nfs/dbraw/zinc/57/20/50/661572050.db2.gz AKHYLKBCTYDOOV-ZDUSSCGKSA-N 1 0 392.301 2.586 20 0 GFADRO O=C(NC[C@H](O)c1ccccc1Br)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000847446220 661592784 /nfs/dbraw/zinc/59/27/84/661592784.db2.gz DXKOOBXIJVBGEE-ZACQAIPSSA-N 1 0 396.329 2.799 20 0 GFADRO C[C@H](NC(=O)c1ccccc1S(=O)(=O)C(F)(F)F)C(C)(C)C[NH+](C)C ZINC000847520358 661595461 /nfs/dbraw/zinc/59/54/61/661595461.db2.gz LMOQHEUDURAJRC-NSHDSACASA-N 1 0 380.432 2.686 20 0 GFADRO CS[C@@H]1CN(C(=O)c2cnc(F)c(Br)c2)C[C@H]1[NH+]1CCCC1 ZINC000847724985 661607785 /nfs/dbraw/zinc/60/77/85/661607785.db2.gz IDAYQDWORUJCOK-CHWSQXEVSA-N 1 0 388.306 2.635 20 0 GFADRO C[N@@H+]1CC[C@@H](CCOC(=O)CCNC(=O)Nc2ccc(Br)cc2)C1 ZINC000847826810 661612109 /nfs/dbraw/zinc/61/21/09/661612109.db2.gz ZKAWPMRLNHEZEY-ZDUSSCGKSA-N 1 0 398.301 2.846 20 0 GFADRO COCC[NH+]1CCC(OC(=O)[C@@H](OC)c2ccccc2Br)CC1 ZINC000847886955 661615419 /nfs/dbraw/zinc/61/54/19/661615419.db2.gz UYQGSMCRCKCIRZ-INIZCTEOSA-N 1 0 386.286 2.791 20 0 GFADRO O=Cc1ccc(OCC(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)c(Br)c1 ZINC000848351284 661642765 /nfs/dbraw/zinc/64/27/65/661642765.db2.gz CDMSGOFFIAYYCW-CVEARBPZSA-N 1 0 395.297 2.774 20 0 GFADRO C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]C[C@@H]1CN(C2CC2)C(=O)O1 ZINC000848570813 661665159 /nfs/dbraw/zinc/66/51/59/661665159.db2.gz NXXZYWSTWOIEKV-XHDPSFHLSA-N 1 0 396.285 2.739 20 0 GFADRO C[C@H]([NH2+]C[C@H]1CN(C2CC2)C(=O)O1)c1ccc(I)cc1 ZINC000848571064 661665888 /nfs/dbraw/zinc/66/58/88/661665888.db2.gz OTFIYDMMVSRALB-HZMBPMFUSA-N 1 0 386.233 2.925 20 0 GFADRO CC(C)(C)OC(=O)NCCNC(=[NH2+])NCc1csc(Br)c1 ZINC000849111118 661692851 /nfs/dbraw/zinc/69/28/51/661692851.db2.gz HOLOWKGZOUFWBU-UHFFFAOYSA-N 1 0 377.308 2.649 20 0 GFADRO COC(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)c1 ZINC000849411320 661718200 /nfs/dbraw/zinc/71/82/00/661718200.db2.gz FATFWWJPJDVTPF-LBPRGKRZSA-N 1 0 388.917 2.525 20 0 GFADRO O=S(=O)(N[C@@H]1CC[N@@H+](C2CCCCC2)C1)c1cncc(Br)c1 ZINC000849461671 661730396 /nfs/dbraw/zinc/73/03/96/661730396.db2.gz WMFCOEYACPSOHG-CYBMUJFWSA-N 1 0 388.331 2.529 20 0 GFADRO Cc1cc(NC(=O)[C@@H]2CC[N@@H+](C)C[C@H]2c2cnn(C)c2)cnc1Br ZINC000849573987 661734716 /nfs/dbraw/zinc/73/47/16/661734716.db2.gz UFSQGMFQEQBRSF-CABCVRRESA-N 1 0 392.301 2.560 20 0 GFADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)Nc2cscc2Br)cn1 ZINC000849600913 661735039 /nfs/dbraw/zinc/73/50/39/661735039.db2.gz SCMCUKCFLBRISB-RYUDHWBXSA-N 1 0 383.315 2.918 20 0 GFADRO CCOc1cc(C[NH2+]CCN(C)C(=O)OC)cc(Br)c1OC ZINC000850389334 661773983 /nfs/dbraw/zinc/77/39/83/661773983.db2.gz YUQSQDDACKDLCZ-UHFFFAOYSA-N 1 0 375.263 2.644 20 0 GFADRO C[C@H]([NH2+]CC(C)(C)[C@@H]1COCC12OCCO2)c1cncc(Br)c1 ZINC000850474078 661777722 /nfs/dbraw/zinc/77/77/22/661777722.db2.gz JTEJNADOPDNMRO-WFASDCNBSA-N 1 0 385.302 2.910 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2cc(Cl)c(N)c(Cl)c2)C1 ZINC000850504584 661779907 /nfs/dbraw/zinc/77/99/07/661779907.db2.gz AGOBXYXTGKHTCD-JTQLQIEISA-N 1 0 387.311 2.751 20 0 GFADRO Cc1c([C@@H](C)[NH2+]CCS(=O)(=O)CC(F)(F)F)cnn1-c1ccccc1 ZINC000850520097 661780758 /nfs/dbraw/zinc/78/07/58/661780758.db2.gz WEGFWCGQUHGJDF-GFCCVEGCSA-N 1 0 375.416 2.808 20 0 GFADRO COC(=O)N(C)CC[NH2+][C@@H](C)c1ccc(F)c(I)c1 ZINC000850547606 661781225 /nfs/dbraw/zinc/78/12/25/661781225.db2.gz VGWKNDFIXBPZPJ-VIFPVBQESA-N 1 0 380.201 2.779 20 0 GFADRO COc1cc([C@H](C)[NH2+]C[C@@H](CO)CC2CC2)ccc1S(=O)(=O)C(F)F ZINC000850544726 661781395 /nfs/dbraw/zinc/78/13/95/661781395.db2.gz JCVJOFMAQTUONV-AAEUAGOBSA-N 1 0 377.453 2.751 20 0 GFADRO COc1cc([C@H](C)[NH2+]C[C@H](CO)CC2CC2)ccc1S(=O)(=O)C(F)F ZINC000850544728 661781422 /nfs/dbraw/zinc/78/14/22/661781422.db2.gz JCVJOFMAQTUONV-WCQYABFASA-N 1 0 377.453 2.751 20 0 GFADRO CCCOc1ccc(Br)cc1S(=O)(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000850582029 661782100 /nfs/dbraw/zinc/78/21/00/661782100.db2.gz KVTIYRCQBIOTDF-LBPRGKRZSA-N 1 0 391.331 2.597 20 0 GFADRO CS(=O)(=O)c1cc(C(=O)N2CCCC[C@H]2[C@H]2CCC[NH2+]C2)ccc1Cl ZINC000850716598 661788407 /nfs/dbraw/zinc/78/84/07/661788407.db2.gz ZNCQJUJRBGIYER-HOCLYGCPSA-N 1 0 384.929 2.738 20 0 GFADRO CCC[NH2+]CCNC(=O)N1CC[C@@]2(C)[C@@H](C1)C2(Br)Br ZINC000851662991 661827790 /nfs/dbraw/zinc/82/77/90/661827790.db2.gz PYHKWFDCYQJOCV-PWSUYJOCSA-N 1 0 397.155 2.524 20 0 GFADRO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)N2CCC=C(Br)C2)cc1 ZINC000851673473 661827955 /nfs/dbraw/zinc/82/79/55/661827955.db2.gz DQMLIYLMLDHAPS-IRXDYDNUSA-N 1 0 394.313 2.835 20 0 GFADRO Brc1ncn(CC[NH+]2CCC(CN3CCc4ccccc43)CC2)n1 ZINC000851767530 661831127 /nfs/dbraw/zinc/83/11/27/661831127.db2.gz AEUFUOYTLCLRDV-UHFFFAOYSA-N 1 0 390.329 2.815 20 0 GFADRO NC(=O)[C@@](O)(C[N@@H+]1CCSC[C@@H]1c1ccc(Cl)cc1)c1ccccc1 ZINC000851775806 661831502 /nfs/dbraw/zinc/83/15/02/661831502.db2.gz WRWDOZZGJHCMMH-IEBWSBKVSA-N 1 0 376.909 2.803 20 0 GFADRO O=S(=O)(NC[C@@H]1CCC[N@H+](CC2CC2)C1)c1c(Cl)ccnc1Cl ZINC000851894950 661844072 /nfs/dbraw/zinc/84/40/72/661844072.db2.gz QVSWKXBFFSSHSX-LBPRGKRZSA-N 1 0 378.325 2.789 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)N1CCn2ncc(Br)c2C1)c1ccsc1 ZINC000851945765 661846617 /nfs/dbraw/zinc/84/66/17/661846617.db2.gz GDZJAMNNDNZWKY-ZDUSSCGKSA-N 1 0 398.330 2.535 20 0 GFADRO CC1(C)OC[C@H](CC[N@@H+]2CCCN(c3nnc(C(F)(F)F)s3)CC2)O1 ZINC000851973712 661847513 /nfs/dbraw/zinc/84/75/13/661847513.db2.gz IIZWOFGKOVEYSM-NSHDSACASA-N 1 0 380.436 2.611 20 0 GFADRO Cc1cc(C(C)(C)[NH2+]C[C@](O)(C(N)=O)c2ccccc2)ccc1Br ZINC000852063133 661851254 /nfs/dbraw/zinc/85/12/54/661851254.db2.gz ABKSCANOTWLTRI-LJQANCHMSA-N 1 0 391.309 2.955 20 0 GFADRO C[C@@](CO)([NH2+]CCn1cnc(Br)n1)c1cc(Cl)cc(Cl)c1 ZINC000852143482 661854315 /nfs/dbraw/zinc/85/43/15/661854315.db2.gz OHUJMAKGISRKEL-ZDUSSCGKSA-N 1 0 394.100 2.845 20 0 GFADRO COCC[N@H+](CCn1cnc(Br)n1)Cc1ccc(F)c(Cl)c1 ZINC000852148088 661854545 /nfs/dbraw/zinc/85/45/45/661854545.db2.gz NTTUENBVAFYAPE-UHFFFAOYSA-N 1 0 391.672 2.982 20 0 GFADRO O=C1CCCN1C[C@H]1CC[N@@H+](C[C@@H](O)c2ccc(F)c(Br)c2)C1 ZINC000852679791 661871192 /nfs/dbraw/zinc/87/11/92/661871192.db2.gz BTBGWGXNGHHJRW-BLLLJJGKSA-N 1 0 385.277 2.566 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)C=C1CC[NH2+]CC1 ZINC000852825041 661875280 /nfs/dbraw/zinc/87/52/80/661875280.db2.gz ISWVZAWKQKWHFS-UHFFFAOYSA-N 1 0 380.286 2.512 20 0 GFADRO O=C(N[C@H]1C[NH2+]CCC1(F)F)c1cc(-c2cccc(Br)c2)no1 ZINC000852832089 661875478 /nfs/dbraw/zinc/87/54/78/661875478.db2.gz DTRSMMFPBFGELG-ZDUSSCGKSA-N 1 0 386.196 2.831 20 0 GFADRO CC(C)(CNC(=O)[C@H]1CCO[C@@H]1C[NH3+])Sc1ccc(Br)cc1 ZINC000852848654 661875744 /nfs/dbraw/zinc/87/57/44/661875744.db2.gz ORUWTJGKSMBAGA-UONOGXRCSA-N 1 0 387.343 2.800 20 0 GFADRO [NH3+]CC[C@H]1CCCN(C(=O)c2cnn(-c3ccccc3)c2Br)C1 ZINC000852877733 661876214 /nfs/dbraw/zinc/87/62/14/661876214.db2.gz KBGXGTRLUHCRPN-CYBMUJFWSA-N 1 0 377.286 2.836 20 0 GFADRO C[C@@H]1[C@@H](c2ccc(Br)cc2)OCCN1C(=O)CO[C@H]1CCC[NH2+]C1 ZINC000852905142 661877028 /nfs/dbraw/zinc/87/70/28/661877028.db2.gz MTLDOOPQGBIVET-SKDZVZGDSA-N 1 0 397.313 2.506 20 0 GFADRO CN([C@@H](C[NH3+])C(F)(F)F)S(=O)(=O)c1ccc(SC(F)(F)F)cc1 ZINC000853081249 661881674 /nfs/dbraw/zinc/88/16/74/661881674.db2.gz MUWUMUIQMZXYAH-VIFPVBQESA-N 1 0 382.351 2.809 20 0 GFADRO O[C@@H](C[NH2+]C[C@@H](O)c1cc(F)c(F)c(F)c1)COc1ccccc1Cl ZINC000853131213 661883171 /nfs/dbraw/zinc/88/31/71/661883171.db2.gz CBZNGLLGICGXOI-XHDPSFHLSA-N 1 0 375.774 2.820 20 0 GFADRO CC(C)(C)OC(=O)NCCC(N)=NOCc1ncsc1Br ZINC000853698390 661897472 /nfs/dbraw/zinc/89/74/72/661897472.db2.gz PYCUWUFCPMJOQP-UHFFFAOYSA-N 1 0 379.280 2.819 20 0 GFADRO CC(C)[NH+]1CCC(NC(=O)[C@]2(C)CC2(Br)Br)CC1 ZINC000854288514 661922062 /nfs/dbraw/zinc/92/20/62/661922062.db2.gz HQFRXVFOCBFZLY-LBPRGKRZSA-N 1 0 382.140 2.872 20 0 GFADRO C[C@]1(C(=O)NCCC[NH+]2CCCCC2)CC1(Br)Br ZINC000854278450 661922103 /nfs/dbraw/zinc/92/21/03/661922103.db2.gz VQBSDQINXKNMDI-GFCCVEGCSA-N 1 0 382.140 2.875 20 0 GFADRO Cc1nc(Br)sc1C(=O)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000854330645 661924715 /nfs/dbraw/zinc/92/47/15/661924715.db2.gz KTAIECITLMPIGU-LBPRGKRZSA-N 1 0 388.331 2.541 20 0 GFADRO Cc1sc(Br)nc1C(=O)N1CCC([N@H+]2CCOC[C@@H]2C)CC1 ZINC000854571631 661940194 /nfs/dbraw/zinc/94/01/94/661940194.db2.gz WTDGKOCRTVAKND-JTQLQIEISA-N 1 0 388.331 2.539 20 0 GFADRO O=C(NCC[S@@](=O)CC(F)(F)F)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000855267924 661979577 /nfs/dbraw/zinc/97/95/77/661979577.db2.gz FZXJPUAERFMGDW-RUZDIDTESA-N 1 0 376.444 2.713 20 0 GFADRO CCN(C(=O)/C=C/c1cc(Br)c(O)c(OC)c1)[C@@H]1CC[N@H+](C)C1 ZINC000855362546 661988297 /nfs/dbraw/zinc/98/82/97/661988297.db2.gz OCJUJMQVMKTALD-URWSZGRFSA-N 1 0 383.286 2.729 20 0 GFADRO CS(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)c1 ZINC000855810985 662009117 /nfs/dbraw/zinc/00/91/17/662009117.db2.gz HXUNANDJXAVQKL-CYBMUJFWSA-N 1 0 384.929 2.880 20 0 GFADRO C[NH+](C)C[C@H]1COC2(CCCC2)CN1C(=O)c1ccnc(Br)c1 ZINC000856411299 662032527 /nfs/dbraw/zinc/03/25/27/662032527.db2.gz TWWPAVIZSGXXKB-AWEZNQCLSA-N 1 0 382.302 2.560 20 0 GFADRO CC[NH+]1CCN(Cc2ccccc2CNc2cnc(Br)cn2)CC1 ZINC000856723324 662038446 /nfs/dbraw/zinc/03/84/46/662038446.db2.gz NATVRLQWRZEOJN-UHFFFAOYSA-N 1 0 390.329 2.989 20 0 GFADRO C[C@@H]([NH2+]C[C@@H](O)COC1CCOCC1)c1ccc(C(F)(F)F)nc1Cl ZINC000856779329 662043708 /nfs/dbraw/zinc/04/37/08/662043708.db2.gz WSGBDTINXPBROE-GHMZBOCLSA-N 1 0 382.810 2.961 20 0 GFADRO O=C(NCC[C@@H]1CC1(Cl)Cl)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000856889683 662049782 /nfs/dbraw/zinc/04/97/82/662049782.db2.gz NFONGETYGIXEKE-CQSZACIVSA-N 1 0 378.344 2.857 20 0 GFADRO CC[NH+]1CCC(N2CCCN(C(=O)NCC[C@H]3CC3(Cl)Cl)CC2)CC1 ZINC000856942716 662053144 /nfs/dbraw/zinc/05/31/44/662053144.db2.gz COHJYSATBSBLDR-HNNXBMFYSA-N 1 0 391.387 2.772 20 0 GFADRO O=C(NCC[C@@H]1CC1(Cl)Cl)NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000856942468 662053166 /nfs/dbraw/zinc/05/31/66/662053166.db2.gz SBQTZDGWWHHLKK-CVEARBPZSA-N 1 0 386.323 2.636 20 0 GFADRO C[NH+](C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)OCc1scnc1Cl ZINC000857058570 662061849 /nfs/dbraw/zinc/06/18/49/662061849.db2.gz QKOBQXUDVAVNKF-SNVBAGLBSA-N 1 0 377.894 2.685 20 0 GFADRO CC1(C)CCC[N@@H+]1CCNC(=O)CCN1C(=S)N=NC1c1cccs1 ZINC000857283968 662071903 /nfs/dbraw/zinc/07/19/03/662071903.db2.gz ZXNZZBZJHPMQBN-UHFFFAOYSA-N 1 0 379.555 2.676 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)CCN1C(=S)N=NC1c1cccs1 ZINC000857303389 662072612 /nfs/dbraw/zinc/07/26/12/662072612.db2.gz SBWFESOAOWUEAO-LBPRGKRZSA-N 1 0 379.555 2.674 20 0 GFADRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)[C@]2(C)CC2(Br)Br)C1 ZINC000857598290 662082505 /nfs/dbraw/zinc/08/25/05/662082505.db2.gz LZZZUSBNSBBASM-WZRBSPASSA-N 1 0 394.151 2.825 20 0 GFADRO CC[NH+](CC)CCCNC(=O)/C=C\c1ccc(I)o1 ZINC000857618856 662083814 /nfs/dbraw/zinc/08/38/14/662083814.db2.gz HMMQKZWTTNUMOW-CLFYSBASSA-N 1 0 376.238 2.746 20 0 GFADRO C[NH+](C)CCC[C@@H]1CN(C(=O)c2ccc(Cl)nc2C(F)(F)F)CCO1 ZINC000857681009 662086747 /nfs/dbraw/zinc/08/67/47/662086747.db2.gz WSIDNXHBITWDTQ-LLVKDONJSA-N 1 0 379.810 2.937 20 0 GFADRO C[NH+](C)CCN(C(=O)c1c(Br)nc2n1CCOC2)C1CCCCC1 ZINC000857710869 662088164 /nfs/dbraw/zinc/08/81/64/662088164.db2.gz KENCELNXUJVITD-UHFFFAOYSA-N 1 0 399.333 2.512 20 0 GFADRO C[C@H](C(=O)N1C[C@H]([NH+](C)C)CCc2cc(Br)ccc21)n1cncn1 ZINC000857880930 662093400 /nfs/dbraw/zinc/09/34/00/662093400.db2.gz PNJWGPVURGOMNK-IUODEOHRSA-N 1 0 392.301 2.511 20 0 GFADRO C[NH+](C)[C@@H]1CCc2cc(Br)ccc2N(C(=O)C[C@@H]2COC(=O)C2)C1 ZINC000857880888 662093402 /nfs/dbraw/zinc/09/34/02/662093402.db2.gz NXWBKRPUTPCFPC-SWLSCSKDSA-N 1 0 395.297 2.612 20 0 GFADRO COCCOCCC(=O)N1C[C@H]([NH+](C)C)CCc2cc(Br)ccc21 ZINC000857882435 662093637 /nfs/dbraw/zinc/09/36/37/662093637.db2.gz LBKFZXOYKUHXCB-MRXNPFEDSA-N 1 0 399.329 2.712 20 0 GFADRO C[NH+](C)[C@@H]1CCc2cc(Br)ccc2N(C(=O)c2cnsn2)C1 ZINC000857883548 662093816 /nfs/dbraw/zinc/09/38/16/662093816.db2.gz XNPOTOJHPRLEON-GFCCVEGCSA-N 1 0 381.299 2.824 20 0 GFADRO Cn1cc(CNc2ccccc2C[NH+]2CCC(O)CC2)c(Br)n1 ZINC000858139833 662100963 /nfs/dbraw/zinc/10/09/63/662100963.db2.gz QUAATGCBVKQABG-UHFFFAOYSA-N 1 0 379.302 2.751 20 0 GFADRO C[C@@H](O)c1ncc(C[NH2+][C@@]2(CO)CCc3cc(Br)ccc3C2)s1 ZINC000858240926 662105832 /nfs/dbraw/zinc/10/58/32/662105832.db2.gz UXZBIWWHMUSXLM-DIFFPNOSSA-N 1 0 397.338 2.969 20 0 GFADRO COc1ncc(Br)cc1CNC(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000858311014 662107773 /nfs/dbraw/zinc/10/77/73/662107773.db2.gz DHMFFRFOIVCJNZ-UONOGXRCSA-N 1 0 385.306 2.525 20 0 GFADRO CC(C)(C)OC(=O)NCCCOCC[NH2+][C@@H]1CC[C@H]2SCCS[C@@H]12 ZINC000858532754 662114190 /nfs/dbraw/zinc/11/41/90/662114190.db2.gz MVFSXZHGGRJEOP-KFWWJZLASA-N 1 0 376.588 2.887 20 0 GFADRO COc1ccc(Br)cc1C[C@H](CO)CNc1cc[nH+]c(CO)c1 ZINC000858564463 662115023 /nfs/dbraw/zinc/11/50/23/662115023.db2.gz NNILYBFTAPHREN-LBPRGKRZSA-N 1 0 381.270 2.608 20 0 GFADRO COC(=O)Nc1ccc(S(=O)(=O)N[C@]2(C[NH3+])CCCC[C@H]2C)cc1Cl ZINC000858609976 662116371 /nfs/dbraw/zinc/11/63/71/662116371.db2.gz GIQHTYZWSYNEAA-BZNIZROVSA-N 1 0 389.905 2.704 20 0 GFADRO O=S(=O)(/C=C\c1ccc(Cl)cc1)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000858644337 662117827 /nfs/dbraw/zinc/11/78/27/662117827.db2.gz ZQFLORADZXTXGL-QCSXQHJISA-N 1 0 384.929 2.731 20 0 GFADRO O=S(=O)(/C=C/c1ccccc1Cl)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000858644570 662117836 /nfs/dbraw/zinc/11/78/36/662117836.db2.gz WVHHQCKWLNOJEA-UEICXMAYSA-N 1 0 384.929 2.731 20 0 GFADRO O=S(=O)(/C=C\c1ccc(Cl)cc1)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000858644339 662117847 /nfs/dbraw/zinc/11/78/47/662117847.db2.gz ZQFLORADZXTXGL-XSZJWBAASA-N 1 0 384.929 2.731 20 0 GFADRO COC(=O)Nc1ccc(S(=O)(=O)NC[C@@H](C)[NH+]2CCCCC2)cc1Cl ZINC000858913620 662127502 /nfs/dbraw/zinc/12/75/02/662127502.db2.gz CILKULZNVZOHSL-GFCCVEGCSA-N 1 0 389.905 2.671 20 0 GFADRO O=C(/C=C\c1ccc(I)o1)OCC[NH+]1CCCCC1 ZINC000858993791 662131227 /nfs/dbraw/zinc/13/12/27/662131227.db2.gz XUYXKMXSWMOLBE-ALCCZGGFSA-N 1 0 375.206 2.927 20 0 GFADRO COC(=O)Nc1ccc(S(=O)(=O)NC(C)(C)C[NH+]2CCCC2)cc1Cl ZINC000859183833 662143680 /nfs/dbraw/zinc/14/36/80/662143680.db2.gz QSHUORLLPFEGCT-UHFFFAOYSA-N 1 0 389.905 2.671 20 0 GFADRO CN(C)S(=O)(=O)c1ccc(CN(C)Cc2ccc(C[NH+](C)C)cc2)s1 ZINC000859211837 662145414 /nfs/dbraw/zinc/14/54/14/662145414.db2.gz AWBMDFXFUZOFDV-UHFFFAOYSA-N 1 0 381.567 2.692 20 0 GFADRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)c1ccc(SC(F)(F)F)nc1 ZINC000859223265 662146159 /nfs/dbraw/zinc/14/61/59/662146159.db2.gz UAAOPZNCXWDTSH-CYBMUJFWSA-N 1 0 377.432 2.876 20 0 GFADRO Cn1nc(C[NH2+][C@@]2(CO)CCc3cc(Br)ccc3C2)cc1Cl ZINC000859577648 662168488 /nfs/dbraw/zinc/16/84/88/662168488.db2.gz YVKMDCZFIDWUAK-INIZCTEOSA-N 1 0 384.705 2.846 20 0 GFADRO CCOP(=O)(OCC)[C@H](O)C[N@@H+]1CC[C@@H](C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000859610325 662169360 /nfs/dbraw/zinc/16/93/60/662169360.db2.gz HEYYQOWTQUDCEZ-KFWWJZLASA-N 1 0 379.434 2.871 20 0 GFADRO CC(C)[NH+]1CCC(NC(=O)COC(=O)c2ccsc2C(F)(F)F)CC1 ZINC000859995809 662181584 /nfs/dbraw/zinc/18/15/84/662181584.db2.gz NVMAOJMSWIQRHZ-UHFFFAOYSA-N 1 0 378.416 2.913 20 0 GFADRO CC[C@H](C(=O)N1CC[N@H+](C[C@H](C)O)C[C@H]1C)c1ccc(Br)cc1 ZINC000860975456 662222476 /nfs/dbraw/zinc/22/24/76/662222476.db2.gz AXITVIJZBIDTFZ-KEYYUXOJSA-N 1 0 383.330 2.856 20 0 GFADRO CO[C@@H]1C[N@H+](C)[C@@](C)(COC(=O)COc2ccc(F)cc2Br)C1 ZINC000861342079 662241514 /nfs/dbraw/zinc/24/15/14/662241514.db2.gz USQHNIGQYUSMFD-BLLLJJGKSA-N 1 0 390.249 2.619 20 0 GFADRO CO[C@H]1C[N@H+](C)[C@](C)(COC(=O)Cc2c(F)ccc(Br)c2F)C1 ZINC000861353111 662242121 /nfs/dbraw/zinc/24/21/21/662242121.db2.gz QLEQYDBUJBOYDX-HWPZZCPQSA-N 1 0 392.240 2.922 20 0 GFADRO O=C(OCC12CCC[NH+](CCC1)C2)c1ccc(I)cn1 ZINC000861363367 662242823 /nfs/dbraw/zinc/24/28/23/662242823.db2.gz WZUAKGDIYLUSTR-UHFFFAOYSA-N 1 0 386.233 2.719 20 0 GFADRO Cc1cccc(NC(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)c1Cl ZINC000861515929 662248648 /nfs/dbraw/zinc/24/86/48/662248648.db2.gz SLZSGOFNXUCZOA-MNOVXSKESA-N 1 0 377.794 2.573 20 0 GFADRO CCN(C(=O)c1cc(Br)cc(C(=O)OC)c1)C1CC[NH+](C)CC1 ZINC000861890260 662262342 /nfs/dbraw/zinc/26/23/42/662262342.db2.gz FNQLHCNUBUPFDG-UHFFFAOYSA-N 1 0 383.286 2.792 20 0 GFADRO COc1cc2c(cc1OC)CC[NH+](Cc1cn(C)nc1Br)CC2 ZINC000862233992 662275410 /nfs/dbraw/zinc/27/54/10/662275410.db2.gz ZIJZDWQQTIQECT-UHFFFAOYSA-N 1 0 380.286 2.801 20 0 GFADRO CC[C@H]([NH2+]C[C@H]1CC(F)(F)CN1C(=O)OC(C)(C)C)[C@H](O)C(F)(F)F ZINC000862291462 662279183 /nfs/dbraw/zinc/27/91/83/662279183.db2.gz JUYBZDVRMKNEOQ-VWYCJHECSA-N 1 0 376.366 2.923 20 0 GFADRO COC(=O)C1=CC[C@@H]([NH2+]Cc2ccc(F)cc2I)C1 ZINC000862466438 662288559 /nfs/dbraw/zinc/28/85/59/662288559.db2.gz HASZZEPJHNUWQB-GFCCVEGCSA-N 1 0 375.181 2.782 20 0 GFADRO C[N@@H+]1CCCC[C@@H](CNC(=O)[C@]2(C)CC2(Br)Br)C1 ZINC000862796557 662301790 /nfs/dbraw/zinc/30/17/90/662301790.db2.gz RPAUIQDIDWPMNB-JQWIXIFHSA-N 1 0 382.140 2.731 20 0 GFADRO Cc1ccc(Cl)c(NC(=S)NCCC[N@@H+]2CCC[C@H]2C(N)=O)c1Cl ZINC000863212060 662314986 /nfs/dbraw/zinc/31/49/86/662314986.db2.gz OQQRDJOSAJAYIL-LBPRGKRZSA-N 1 0 389.352 2.928 20 0 GFADRO C[NH+]1CCC(NC(=S)NCc2ccc(Br)c(F)c2F)CC1 ZINC000863225392 662315941 /nfs/dbraw/zinc/31/59/41/662315941.db2.gz YRHTUSREXJZMIE-UHFFFAOYSA-N 1 0 378.286 2.786 20 0 GFADRO C[C@@H]([NH3+])CN(C)[C@H](C)C(=O)Nc1ccc(Br)cc1Br ZINC000863566784 662336894 /nfs/dbraw/zinc/33/68/94/662336894.db2.gz PTVAYDGXULBVTD-RKDXNWHRSA-N 1 0 393.123 2.818 20 0 GFADRO O=C(Cc1noc([C@H](F)[C@H]2CC[NH2+]C2)n1)Nc1ccccc1Br ZINC000863670248 662343226 /nfs/dbraw/zinc/34/32/26/662343226.db2.gz KMGLGEMHVSSCIG-LKFCYVNXSA-N 1 0 383.221 2.633 20 0 GFADRO CC[NH2+][C@@H](C)c1nc(-c2ccc3ncc(I)n3c2)no1 ZINC000863671906 662343586 /nfs/dbraw/zinc/34/35/86/662343586.db2.gz BSGSRRAWEHDUIY-QMMMGPOBSA-N 1 0 383.193 2.659 20 0 GFADRO C[N@@H+]1CCCC[C@H](CNC(=O)CCN2C(=S)N=NC2c2cccs2)C1 ZINC000863938973 662350516 /nfs/dbraw/zinc/35/05/16/662350516.db2.gz UAQJCLPBABIQNV-CYBMUJFWSA-N 1 0 379.555 2.534 20 0 GFADRO C[NH+](C)[C@@H]1C[C@@H](NC(=O)[C@]2(C)CC2(Br)Br)C1(C)C ZINC000864064692 662353245 /nfs/dbraw/zinc/35/32/45/662353245.db2.gz ZJNAVKDRFGLSSG-LNLATYFQSA-N 1 0 382.140 2.727 20 0 GFADRO C[NH+]1CCN(CCCNC(=O)c2ccc3ccc(Br)cc3c2)CC1 ZINC000864588178 662380587 /nfs/dbraw/zinc/38/05/87/662380587.db2.gz SAWNHIHFDBHYPH-UHFFFAOYSA-N 1 0 390.325 2.970 20 0 GFADRO CC[NH+]1CCN(CCCNC(=O)/C(C)=C\c2ccc(Br)o2)CC1 ZINC000864866182 662389253 /nfs/dbraw/zinc/38/92/53/662389253.db2.gz RHXPZQSSPJFJTG-YPKPFQOOSA-N 1 0 384.318 2.589 20 0 GFADRO CN1C(=O)N([C@H]2CC[N@H+](CC3CC3)C2)C(=O)[C@H]1c1ccc(Br)s1 ZINC000865302554 662411340 /nfs/dbraw/zinc/41/13/40/662411340.db2.gz SIRUASCPDNFVFQ-SMDDNHRTSA-N 1 0 398.326 2.930 20 0 GFADRO Cc1ccc(C[NH2+]C[C@@H]2CCC[C@@]23NC(=O)N(C)C3=O)c(C)c1Br ZINC000865481862 662424482 /nfs/dbraw/zinc/42/44/82/662424482.db2.gz XABJBHUXVUMJPP-KBXCAEBGSA-N 1 0 394.313 2.876 20 0 GFADRO COc1ncc(Br)cc1CNC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000865494549 662424796 /nfs/dbraw/zinc/42/47/96/662424796.db2.gz CXWPECBJCOFYHF-IRXDYDNUSA-N 1 0 398.345 2.710 20 0 GFADRO C[C@@H](C[C@H](O)c1ccc(F)cc1)[NH2+]Cc1ccc(Cl)c(S(N)(=O)=O)c1 ZINC000865513995 662425956 /nfs/dbraw/zinc/42/59/56/662425956.db2.gz BDILJGXPTFNALC-ZBEGNZNMSA-N 1 0 386.876 2.728 20 0 GFADRO Cc1ccc(C[NH2+]C2CCC3(CC2)NC(=O)NC3=O)c(C)c1Br ZINC000865566929 662429942 /nfs/dbraw/zinc/42/99/42/662429942.db2.gz UZFQMKZHJKVBHM-UHFFFAOYSA-N 1 0 380.286 2.676 20 0 GFADRO Brc1c[nH+]c(NCc2cn(C3CC3)cn2)cc1N1CCOCC1 ZINC000865596618 662431378 /nfs/dbraw/zinc/43/13/78/662431378.db2.gz UHWCTFDJGVJEFH-UHFFFAOYSA-N 1 0 378.274 2.824 20 0 GFADRO CC(C)(C)OC(=O)N1CCc2nc(C[NH2+]CC[C@H](O)C(F)F)sc2C1 ZINC000865687410 662436639 /nfs/dbraw/zinc/43/66/39/662436639.db2.gz CTOGCKSNOQCURM-NSHDSACASA-N 1 0 377.457 2.542 20 0 GFADRO Cc1cc([C@@H](C)[NH2+]C[C@@]23COC(=O)N2CCOC3)sc1Br ZINC000865770515 662442314 /nfs/dbraw/zinc/44/23/14/662442314.db2.gz MWTSDTVUMNKBDX-QMTHXVAHSA-N 1 0 375.288 2.691 20 0 GFADRO Brc1ccc2ncc(C[NH2+]C[C@H]3CC4(CO3)CCOCC4)n2c1 ZINC000865780111 662443045 /nfs/dbraw/zinc/44/30/45/662443045.db2.gz DYTBNPWCLIYVTN-OAHLLOKOSA-N 1 0 380.286 2.772 20 0 GFADRO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]CC(C)(C)C(C)(F)F ZINC000865790130 662443882 /nfs/dbraw/zinc/44/38/82/662443882.db2.gz JZEMZTKHTPUOEZ-NSHDSACASA-N 1 0 383.892 2.976 20 0 GFADRO NS(=O)(=O)c1cc(Br)ccc1NC1CC[NH+](C2CCC2)CC1 ZINC000865860527 662447796 /nfs/dbraw/zinc/44/77/96/662447796.db2.gz FGFOOFKQRWODTF-UHFFFAOYSA-N 1 0 388.331 2.525 20 0 GFADRO C[NH+](C)C1(CNC(=O)[C@@H]2[C@@H]3Cc4ccc(Br)cc4[C@@H]32)CCOCC1 ZINC000865877278 662449107 /nfs/dbraw/zinc/44/91/07/662449107.db2.gz WLMBBSUKLHWRAN-IXDOHACOSA-N 1 0 393.325 2.562 20 0 GFADRO C[NH+](C)CCCOc1ccc(CNC(=O)c2cc(Br)no2)cc1 ZINC000865927999 662451913 /nfs/dbraw/zinc/45/19/13/662451913.db2.gz NODILGOFHALRPT-UHFFFAOYSA-N 1 0 382.258 2.698 20 0 GFADRO COCCN(CC1CC[NH+](C)CC1)C(=O)Nc1nc(C(F)(F)F)cs1 ZINC000866033391 662457832 /nfs/dbraw/zinc/45/78/32/662457832.db2.gz UKVZGPXMBOHRAI-UHFFFAOYSA-N 1 0 380.436 2.984 20 0 GFADRO CC(=O)N[C@H](C(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1)c1cccc(Br)c1 ZINC000866050306 662458646 /nfs/dbraw/zinc/45/86/46/662458646.db2.gz YQSHWOSCNRJCPN-VUCTXSBTSA-N 1 0 396.329 2.567 20 0 GFADRO CCc1c(Cl)nc(CS(C)(=O)=O)nc1NC1CCC(C)([NH+](C)C)CC1 ZINC000866148487 662462102 /nfs/dbraw/zinc/46/21/02/662462102.db2.gz DTUOOVNXFUCIQY-UHFFFAOYSA-N 1 0 388.965 2.912 20 0 GFADRO CN1CC[NH+](C2CCN(c3ccc([S@](=O)C(F)(F)F)cc3)CC2)CC1 ZINC000866210705 662464787 /nfs/dbraw/zinc/46/47/87/662464787.db2.gz BCQXVSIIAZZYLQ-VWLOTQADSA-N 1 0 375.460 2.530 20 0 GFADRO C[NH+](C)C1CCN(CCNC(=O)/C=C/c2ccsc2C(F)(F)F)CC1 ZINC000866352392 662468739 /nfs/dbraw/zinc/46/87/39/662468739.db2.gz JGOHPKSCNUVTSM-ONEGZZNKSA-N 1 0 375.460 2.922 20 0 GFADRO C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@H]1CCN(CC(C)(C)O)C1 ZINC000866412707 662471393 /nfs/dbraw/zinc/47/13/93/662471393.db2.gz BIDKSFGHFMNWAE-BBRMVZONSA-N 1 0 398.345 2.601 20 0 GFADRO C[C@H]([NH2+][C@H]1[C@@H]2OC[C@@H]3C[C@H]1C[C@@H]32)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000866444369 662473545 /nfs/dbraw/zinc/47/35/45/662473545.db2.gz GQLGUHJALHTKAU-YFUZKMLESA-N 1 0 391.320 2.715 20 0 GFADRO O=S1(=O)CC[C@H]([NH2+][C@H]2[C@@H]3OC[C@H]4C[C@H]2C[C@H]34)c2cc(Br)ccc21 ZINC000866446605 662473551 /nfs/dbraw/zinc/47/35/51/662473551.db2.gz VOIRMHFBOUXHCW-VXOLCFIISA-N 1 0 398.322 2.681 20 0 GFADRO C[C@@H]([NH2+]CC[C@H]1CCCS1)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000866479717 662475721 /nfs/dbraw/zinc/47/57/21/662475721.db2.gz YGMVFBKQHGEUFO-NVXWUHKLSA-N 1 0 384.567 2.644 20 0 GFADRO C[C@@H]([NH2+]C[C@@]12COC(=O)N1CCOC2)c1ccc(Br)c(Cl)c1 ZINC000866523913 662478982 /nfs/dbraw/zinc/47/89/82/662478982.db2.gz WXSSMYIEHXGQLU-MEBBXXQBSA-N 1 0 389.677 2.974 20 0 GFADRO Brc1ccc2c(c1)[C@H]1[C@H]([NH2+]C3CCN([C@@H]4CCOC4)CC3)[C@H]1C2 ZINC000866609586 662483883 /nfs/dbraw/zinc/48/38/83/662483883.db2.gz HUMXJIGMZYHLCU-QXCFHYIPSA-N 1 0 377.326 2.930 20 0 GFADRO C[NH+](C)CCN(Cc1ccccn1)S(=O)(=O)Cc1ccc(F)cc1Cl ZINC000866748141 662494088 /nfs/dbraw/zinc/49/40/88/662494088.db2.gz GPWSTLVWVHTQRS-UHFFFAOYSA-N 1 0 385.892 2.768 20 0 GFADRO O=S(=O)(c1cc2nc(Cl)ncc2s1)N1CCCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000866769250 662496291 /nfs/dbraw/zinc/49/62/91/662496291.db2.gz IZBDFOWFFAQOBU-PWSUYJOCSA-N 1 0 386.930 2.640 20 0 GFADRO [NH3+][C@H]1CCCO[C@H]1C1CCN(S(=O)(=O)Cc2ccc(F)cc2Cl)CC1 ZINC000866772553 662496560 /nfs/dbraw/zinc/49/65/60/662496560.db2.gz WHDHDQHQZMSZLZ-IRXDYDNUSA-N 1 0 390.908 2.527 20 0 GFADRO O=S(=O)(c1cc(Cl)cnc1Cl)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000866775891 662497234 /nfs/dbraw/zinc/49/72/34/662497234.db2.gz QDZLPLWQYNGRKD-GFCCVEGCSA-N 1 0 378.325 2.789 20 0 GFADRO [NH3+][C@@H]1CN(S(=O)(=O)c2ccc(Cl)nc2F)CC[C@H]1c1ccc(F)cc1 ZINC000866777809 662497565 /nfs/dbraw/zinc/49/75/65/662497565.db2.gz NYGZYSGDQSNNLO-QWHCGFSZSA-N 1 0 387.839 2.519 20 0 GFADRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2cc(Cl)cnc2Cl)CC[C@@H]1C(F)(F)F ZINC000866778564 662497662 /nfs/dbraw/zinc/49/76/62/662497662.db2.gz ACHAIBJPCGPRGZ-APPZFPTMSA-N 1 0 392.230 2.536 20 0 GFADRO COC(=O)c1cc(S(=O)(=O)N[C@H]2CC[C@H](C[NH3+])CC2)c(Cl)cc1Cl ZINC000866794345 662499246 /nfs/dbraw/zinc/49/92/46/662499246.db2.gz OOCWIBXWYKGGIJ-MGCOHNPYSA-N 1 0 395.308 2.576 20 0 GFADRO [NH3+][C@H]1C[C@@H](CNS(=O)(=O)c2cc(Br)c(Cl)cc2Cl)C1 ZINC000866806127 662500150 /nfs/dbraw/zinc/50/01/50/662500150.db2.gz TWSMETOBECMOOJ-KNVOCYPGSA-N 1 0 388.114 2.772 20 0 GFADRO CC(=O)Nc1ccc(S(=O)(=O)N2CC[C@@](C[NH3+])(C(C)(C)C)C2)cc1Cl ZINC000866816129 662501474 /nfs/dbraw/zinc/50/14/74/662501474.db2.gz WWSPPIISGIBNPU-KRWDZBQOSA-N 1 0 387.933 2.684 20 0 GFADRO O=S(=O)(c1csc(-c2ccc(Cl)cc2)n1)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000866828595 662502367 /nfs/dbraw/zinc/50/23/67/662502367.db2.gz XDPBVKXNDPDXNC-UONOGXRCSA-N 1 0 383.926 2.979 20 0 GFADRO C[N@@H+]1CCC[C@H](CNS(=O)(=O)c2ccc(F)nc2F)[C@H]1c1cccs1 ZINC000866865685 662504768 /nfs/dbraw/zinc/50/47/68/662504768.db2.gz RIYRAYTZIUIBMG-ABAIWWIYSA-N 1 0 387.477 2.783 20 0 GFADRO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000867376455 662546300 /nfs/dbraw/zinc/54/63/00/662546300.db2.gz RNROUZLNXTVJAN-XJKSGUPXSA-N 1 0 384.307 2.504 20 0 GFADRO CC(=O)N[C@H](C(=O)N[C@@H]1CCC[N@@H+](C(C)C)C1)c1cccc(Br)c1 ZINC000867456286 662551035 /nfs/dbraw/zinc/55/10/35/662551035.db2.gz AIEKPFCJWBXBTI-SJORKVTESA-N 1 0 396.329 2.615 20 0 GFADRO COCCN(CC1CC[NH+](C)CC1)S(=O)(=O)c1ccc(C(F)F)cc1 ZINC000867581140 662560915 /nfs/dbraw/zinc/56/09/15/662560915.db2.gz IWCLDGFVAQUFCQ-UHFFFAOYSA-N 1 0 376.469 2.603 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(S(=O)(=O)c3cc(Cl)ccc3Br)CC[C@H]21 ZINC000867810136 662578352 /nfs/dbraw/zinc/57/83/52/662578352.db2.gz XNCIFMMOYUFVBL-ZWNOBZJWSA-N 1 0 393.734 2.817 20 0 GFADRO Cc1cc(Br)c(S(=O)(=O)N2CC[C@H]3[C@H](CC[N@H+]3C)C2)s1 ZINC000867812975 662579555 /nfs/dbraw/zinc/57/95/55/662579555.db2.gz OTVPPMAPJDJCKU-PWSUYJOCSA-N 1 0 379.345 2.534 20 0 GFADRO C[C@H]1C[N@H+](CCCNC(=O)c2cc(F)c(Br)cc2F)CCCO1 ZINC000867827919 662580597 /nfs/dbraw/zinc/58/05/97/662580597.db2.gz WCZPJPVTRTYBFU-NSHDSACASA-N 1 0 391.256 2.958 20 0 GFADRO [NH3+]C[C@@H](NC(=O)c1c(F)ccc(I)c1Cl)C1CC1 ZINC000867960103 662589464 /nfs/dbraw/zinc/58/94/64/662589464.db2.gz GNRIPQCVYDMRQY-SECBINFHSA-N 1 0 382.604 2.551 20 0 GFADRO [NH3+][C@@H]1CCCCCN(C(=O)Nc2cc3c(cc2Br)OCCO3)C1 ZINC000868093496 662594449 /nfs/dbraw/zinc/59/44/49/662594449.db2.gz GZBNSRNVZLOONS-LLVKDONJSA-N 1 0 384.274 2.956 20 0 GFADRO O=C(Nc1ccn(-c2ccc(Br)cc2)n1)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000868160844 662596985 /nfs/dbraw/zinc/59/69/85/662596985.db2.gz WHBBSOZUVAKUMJ-CABCVRRESA-N 1 0 390.285 2.993 20 0 GFADRO O=C(Nc1cnc2c(c1)C[NH2+]CC2)N[C@@H]1[C@@H]2Cc3ccc(Br)cc3[C@@H]21 ZINC000868165971 662597193 /nfs/dbraw/zinc/59/71/93/662597193.db2.gz FGUXHUXKRDAWJF-BPQIPLTHSA-N 1 0 399.292 2.950 20 0 GFADRO CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000868355501 662602785 /nfs/dbraw/zinc/60/27/85/662602785.db2.gz PQFYWJAWAICXJO-GOSISDBHSA-N 1 0 385.961 2.974 20 0 GFADRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)NCc2ncc(Br)s2)C1 ZINC000868394492 662603900 /nfs/dbraw/zinc/60/39/00/662603900.db2.gz UDTRKXKVEVLMMS-LLVKDONJSA-N 1 0 375.336 2.683 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3[C@@H]4Cc5ccc(Br)cc5[C@@H]43)C[C@@H]2C1 ZINC000868452123 662605872 /nfs/dbraw/zinc/60/58/72/662605872.db2.gz MMKCYYOXKIGTDU-FRULXJFHSA-N 1 0 375.310 2.745 20 0 GFADRO C[NH+](C)C1(C)CCC(NC(=O)NCCCn2cc(Br)cn2)CC1 ZINC000868616444 662612167 /nfs/dbraw/zinc/61/21/67/662612167.db2.gz VDSITWGXDGMVTL-UHFFFAOYSA-N 1 0 386.338 2.598 20 0 GFADRO CCC(C)(C)[NH+]1CCN(C(=O)NCc2ncc(Br)s2)CC1 ZINC000869196906 662634796 /nfs/dbraw/zinc/63/47/96/662634796.db2.gz TYCIYPZYFLWVPK-UHFFFAOYSA-N 1 0 375.336 2.921 20 0 GFADRO C[NH+](C)CCC[C@@H]1CN(C(=O)c2nc(Br)sc2Cl)CCO1 ZINC000869313198 662641190 /nfs/dbraw/zinc/64/11/90/662641190.db2.gz FAYGUIFKNBWEMT-SECBINFHSA-N 1 0 396.738 2.742 20 0 GFADRO Cc1csc(N2CCN(C(=O)[C@@H]([NH3+])c3cccc(Br)c3)CC2)n1 ZINC000870864177 662703921 /nfs/dbraw/zinc/70/39/21/662703921.db2.gz FWORJHLVVIMIOH-AWEZNQCLSA-N 1 0 395.326 2.563 20 0 GFADRO O=C(c1csc(C2CC[NH2+]CC2)n1)N1CCC[C@@H](OCC(F)(F)F)C1 ZINC000870869622 662703928 /nfs/dbraw/zinc/70/39/28/662703928.db2.gz CJZCXLFMYBNHPM-GFCCVEGCSA-N 1 0 377.432 2.794 20 0 GFADRO C[NH+](C)C1(C(=O)Nc2ccc(N3CC[C@@H](CO)C3)c(Br)c2)CCC1 ZINC000870887461 662705094 /nfs/dbraw/zinc/70/50/94/662705094.db2.gz BNXHTMVRZBIVRY-CYBMUJFWSA-N 1 0 396.329 2.691 20 0 GFADRO O=C(NC1CC[NH2+]CC1)c1c(F)ccc(I)c1Cl ZINC000870931245 662708737 /nfs/dbraw/zinc/70/87/37/662708737.db2.gz SZLYMHACPATORH-UHFFFAOYSA-N 1 0 382.604 2.566 20 0 GFADRO [NH3+][C@H]1CC[C@H](C(=O)NCc2nc(-c3cccc(Br)c3)no2)CC1 ZINC000870931955 662708793 /nfs/dbraw/zinc/70/87/93/662708793.db2.gz QJNKGGBGZYQREP-MJHDQNEOSA-N 1 0 379.258 2.633 20 0 GFADRO [NH3+]C[C@@H]1CCCN(C(=O)c2c(F)ccc(I)c2Cl)C1 ZINC000870934141 662708935 /nfs/dbraw/zinc/70/89/35/662708935.db2.gz GQGVPHUMISUXEZ-QMMMGPOBSA-N 1 0 396.631 2.895 20 0 GFADRO C[NH2+]C[C@H]1CCN(C(=O)c2c(F)ccc(I)c2Cl)C1 ZINC000870935989 662708951 /nfs/dbraw/zinc/70/89/51/662708951.db2.gz WLIBPAJYHYVIQT-MRVPVSSYSA-N 1 0 396.631 2.765 20 0 GFADRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)c2c(F)ccc(I)c2Cl)C1 ZINC000870945957 662710610 /nfs/dbraw/zinc/71/06/10/662710610.db2.gz ZQCIYENEXYCOQU-HTQZYQBOSA-N 1 0 396.631 2.941 20 0 GFADRO Cn1ncc2c1CC(C)(C)CN(C(=O)[C@H]([NH3+])c1cccc(Br)c1)C2 ZINC000870958234 662711435 /nfs/dbraw/zinc/71/14/35/662711435.db2.gz NGMUZKMBBHQCCB-MRXNPFEDSA-N 1 0 391.313 2.794 20 0 GFADRO CC(C)[NH+]1CCC(CCNC(=O)Cc2cc[nH]c(=O)c2Br)CC1 ZINC000870955574 662711491 /nfs/dbraw/zinc/71/14/91/662711491.db2.gz WIDXVGDVANQHNE-UHFFFAOYSA-N 1 0 384.318 2.719 20 0 GFADRO C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000870976069 662712162 /nfs/dbraw/zinc/71/21/62/662712162.db2.gz OIOAOXNDHGHADH-FVCCEPFGSA-N 1 0 384.307 2.759 20 0 GFADRO Cn1c(-c2ccc(F)cc2Br)nnc1N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000871044871 662714020 /nfs/dbraw/zinc/71/40/20/662714020.db2.gz CNCCAZNKZWJYPM-IAQYHMDHSA-N 1 0 394.292 2.914 20 0 GFADRO Cn1c(-c2cccc(Br)c2)nnc1N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000871046255 662714270 /nfs/dbraw/zinc/71/42/70/662714270.db2.gz WNAUKDLTFQPZGO-UKRRQHHQSA-N 1 0 376.302 2.775 20 0 GFADRO C[NH+](C)C1(C)CCC(NC(=O)c2ccc(I)cn2)CC1 ZINC000871362540 662720379 /nfs/dbraw/zinc/72/03/79/662720379.db2.gz ZPXUODJRNQJWEW-UHFFFAOYSA-N 1 0 387.265 2.679 20 0 GFADRO O[C@@H](Cn1cc(CC[NH+]2CCCCC2)nn1)c1ccc(Br)cc1 ZINC000871619500 662728607 /nfs/dbraw/zinc/72/86/07/662728607.db2.gz OHRHGMKNUSQSBM-KRWDZBQOSA-N 1 0 379.302 2.803 20 0 GFADRO CC(=O)N[C@@H](c1nc([C@H]2CCC[NH2+]C2)no1)c1cccc(Br)c1 ZINC000871789986 662734187 /nfs/dbraw/zinc/73/41/87/662734187.db2.gz WGGWHRHNCHZGML-GXTWGEPZSA-N 1 0 379.258 2.525 20 0 GFADRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2cc(Cl)sc2Cl)C[C@@H]1C(F)(F)F ZINC000871810618 662734866 /nfs/dbraw/zinc/73/48/66/662734866.db2.gz IUKZHMGBCDIGMQ-RITPCOANSA-N 1 0 383.244 2.813 20 0 GFADRO O=S(=O)(N[C@]12CCC[C@@H]1[NH2+]CC2)c1ccc(C(F)(F)C(F)(F)F)cc1 ZINC000871817961 662735678 /nfs/dbraw/zinc/73/56/78/662735678.db2.gz HVKFPZOXGOBWRF-STQMWFEESA-N 1 0 384.370 2.904 20 0 GFADRO CC(=O)c1cc(S(=O)(=O)N(C)CCCCCC[NH3+])ccc1Br ZINC000871821160 662735814 /nfs/dbraw/zinc/73/58/14/662735814.db2.gz GFEIVAHXLSFVIZ-UHFFFAOYSA-N 1 0 391.331 2.791 20 0 GFADRO CNC(=O)c1ccc(C[NH2+]C[C@@H](O)COc2cc(Cl)cc(Cl)c2)cc1 ZINC000871972248 662748126 /nfs/dbraw/zinc/74/81/26/662748126.db2.gz BOSYLHVJWOHFGJ-MRXNPFEDSA-N 1 0 383.275 2.883 20 0 GFADRO Brc1cccc([C@H]([NH2+]C[C@@H]2CN3CCC[C@H]3CO2)[C@H]2CCOC2)c1 ZINC000872034505 662754370 /nfs/dbraw/zinc/75/43/70/662754370.db2.gz PIBRBHPOCDRAPE-KANFNMMFSA-N 1 0 395.341 2.980 20 0 GFADRO Brc1cccc([C@H]([NH2+]CCN2C[C@H]3CC[C@@H](C2)O3)[C@H]2CCOC2)c1 ZINC000872076919 662755390 /nfs/dbraw/zinc/75/53/90/662755390.db2.gz VLOYDIGKVQKUHZ-KANFNMMFSA-N 1 0 395.341 2.980 20 0 GFADRO C[C@@H]([NH2+]CCC[C@@H]1CCOC1=O)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000872114665 662756308 /nfs/dbraw/zinc/75/63/08/662756308.db2.gz XVRZPRXJGHZQNC-NXEZZACHSA-N 1 0 395.308 2.635 20 0 GFADRO COc1ccc(Cl)cc1NC(=O)[C@H](C)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000872150029 662756836 /nfs/dbraw/zinc/75/68/36/662756836.db2.gz XGAXGPAKMMRVOB-HOSYDEDBSA-N 1 0 379.810 2.745 20 0 GFADRO [NH3+]C[C@@H]1CN([C@@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)C[C@@H]1C(F)(F)F ZINC000872152357 662757031 /nfs/dbraw/zinc/75/70/31/662757031.db2.gz QCSCOBSLMSLTCE-OLUVUFQESA-N 1 0 379.785 2.653 20 0 GFADRO Cn1ncc(Br)c1C[NH2+]C[C@H](O)c1ccc(Br)cc1 ZINC000872220430 662758286 /nfs/dbraw/zinc/75/82/86/662758286.db2.gz OKNOPPGUPJFHST-ZDUSSCGKSA-N 1 0 389.091 2.768 20 0 GFADRO O[C@@H](C[NH2+]CCn1ccc(C(F)(F)F)n1)c1ccccc1Br ZINC000872249077 662759330 /nfs/dbraw/zinc/75/93/30/662759330.db2.gz ZUVMDEKTVFHNIP-LBPRGKRZSA-N 1 0 378.192 2.988 20 0 GFADRO [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)N2CC3(CCOCC3)c3ccc(Br)cc32)C1 ZINC000872309086 662760138 /nfs/dbraw/zinc/76/01/38/662760138.db2.gz OSMBYXMWYSSYOB-BBEJJTJUSA-N 1 0 391.309 2.971 20 0 GFADRO CC(C)[C@H]1CN(Cn2c(=O)oc3cc(F)c(Br)cc32)CC[N@@H+]1C ZINC000872737924 662787191 /nfs/dbraw/zinc/78/71/91/662787191.db2.gz WPPBPGZJZUAGER-CQSZACIVSA-N 1 0 386.265 2.726 20 0 GFADRO CC(C)[C@H]1CN(Cn2nc3ccc(Br)cn3c2=S)CC[N@@H+]1C ZINC000872737681 662787243 /nfs/dbraw/zinc/78/72/43/662787243.db2.gz RCAJQBPAGKVTHQ-CYBMUJFWSA-N 1 0 384.347 2.857 20 0 GFADRO C[C@@H](NC(=O)NC[C@@]1([NH+](C)C)CCSC1)c1ccc(C(F)(F)F)nc1 ZINC000872925131 662793792 /nfs/dbraw/zinc/79/37/92/662793792.db2.gz LGDNHNKUEKRUNP-ABAIWWIYSA-N 1 0 376.448 2.898 20 0 GFADRO Cc1ccc(Br)c(F)c1C[NH2+]C[C@H]1CCC[C@]12NC(=O)N(C)C2=O ZINC000873068802 662798448 /nfs/dbraw/zinc/79/84/48/662798448.db2.gz AKTYQMOXLCNNDR-DIFFPNOSSA-N 1 0 398.276 2.707 20 0 GFADRO Cn1c2ccccc2c(Br)c1C[NH2+][C@H](CC(N)=O)C1CCOCC1 ZINC000873096970 662799606 /nfs/dbraw/zinc/79/96/06/662799606.db2.gz CFTLIGPXMZMNPN-CQSZACIVSA-N 1 0 394.313 2.701 20 0 GFADRO CSc1ccc(Cl)cc1NC(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000873102757 662799857 /nfs/dbraw/zinc/79/98/57/662799857.db2.gz AAAJURPFHUSOHG-PSASIEDQSA-N 1 0 395.834 2.596 20 0 GFADRO CSc1nc2ccc(NC(=O)C(=O)N(C)CCCCCC[NH3+])cc2s1 ZINC000873110317 662800141 /nfs/dbraw/zinc/80/01/41/662800141.db2.gz NMKYZRKOCBBYKU-UHFFFAOYSA-N 1 0 380.539 2.934 20 0 GFADRO [NH3+]C[C@@H]1CN(Cc2cn(-c3ccc(F)cc3Cl)nn2)C[C@H]1C(F)(F)F ZINC000873227546 662804183 /nfs/dbraw/zinc/80/41/83/662804183.db2.gz JDDLNZPEIPHQNM-BXKDBHETSA-N 1 0 377.773 2.629 20 0 GFADRO Cc1c(Br)nccc1NC(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000873329518 662805663 /nfs/dbraw/zinc/80/56/63/662805663.db2.gz WOZDLFRXTDTMLE-RKDXNWHRSA-N 1 0 381.196 2.753 20 0 GFADRO CCc1ccc(Br)c(NC(=O)C(=O)N2CCC([NH2+]C(C)C)CC2)c1 ZINC000873791682 662814324 /nfs/dbraw/zinc/81/43/24/662814324.db2.gz LZTOIBMJQAVTHY-UHFFFAOYSA-N 1 0 396.329 2.939 20 0 GFADRO CCc1ccc(Br)c(NC(=O)C(=O)N(C)C[C@H]2CCC[N@H+](C)C2)c1 ZINC000873818110 662815302 /nfs/dbraw/zinc/81/53/02/662815302.db2.gz WEYCYJGGLPQJRR-AWEZNQCLSA-N 1 0 396.329 2.750 20 0 GFADRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)Nc1cc(Cl)cc(Cl)c1F ZINC000873831521 662815684 /nfs/dbraw/zinc/81/56/84/662815684.db2.gz VUMLKNCVMONSMU-NOZJJQNGSA-N 1 0 376.259 2.870 20 0 GFADRO C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2C ZINC000874844381 662838354 /nfs/dbraw/zinc/83/83/54/662838354.db2.gz SXFGKAIOEBRHHW-TUKIKUTGSA-N 1 0 384.307 2.807 20 0 GFADRO Cn1cc([C@H]2C[N@H+](C)CC[C@H]2C(=O)Oc2ccc(Br)cc2)cn1 ZINC000874982572 662840353 /nfs/dbraw/zinc/84/03/53/662840353.db2.gz BWGZRRFFHXUPKD-HZPDHXFCSA-N 1 0 378.270 2.824 20 0 GFADRO C[NH+](C)C[C@H](NC(=O)NOC[C@H]1CCOC1)c1ccc(Cl)c(Cl)c1 ZINC000875524127 662847395 /nfs/dbraw/zinc/84/73/95/662847395.db2.gz BHXGTQQVLXPTCO-NHYWBVRUSA-N 1 0 376.284 2.863 20 0 GFADRO CC1([NH+]2CCOCC2)CCN(C(=O)c2cc(F)c(Cl)nc2Cl)CC1 ZINC000875947855 662854048 /nfs/dbraw/zinc/85/40/48/662854048.db2.gz GBDZHEZQBPAUAN-UHFFFAOYSA-N 1 0 376.259 2.854 20 0 GFADRO CN(CCCN1CC[NH+](C)CC1)C(=O)NCc1ccc(C(F)(F)F)s1 ZINC000876340211 662860103 /nfs/dbraw/zinc/86/01/03/662860103.db2.gz JXAAZSQKOVZDML-UHFFFAOYSA-N 1 0 378.464 2.546 20 0 GFADRO O=C(NCc1ccc(C(F)(F)F)s1)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000876343809 662860123 /nfs/dbraw/zinc/86/01/23/662860123.db2.gz GVWXUQGGPMHKBR-STQMWFEESA-N 1 0 377.432 2.508 20 0 GFADRO C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)Nc1ccc(Sc2nncn2C)c(Cl)c1 ZINC000876632540 662863855 /nfs/dbraw/zinc/86/38/55/662863855.db2.gz VXSVJZLYNMOHIT-CWBMUHOVSA-N 1 0 377.901 2.970 20 0 GFADRO O=C(/C=C/[C@@H]1CCC[NH2+]C1)NC[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000876732609 662865458 /nfs/dbraw/zinc/86/54/58/662865458.db2.gz AWUKTMXOLLQIOS-ABUMPJRPSA-N 1 0 392.341 2.947 20 0 GFADRO CC[N@H+](C[C@@H]1CCCCN(C(=O)OC(C)(C)C)C1)[C@H](C)CS(C)(=O)=O ZINC000876737104 662865672 /nfs/dbraw/zinc/86/56/72/662865672.db2.gz QPTPAXZCTLACFB-CVEARBPZSA-N 1 0 376.563 2.779 20 0 GFADRO O=C(/C=C/[C@H]1CCC[NH2+]C1)NCCOc1ncc(C(F)(F)F)cc1Cl ZINC000876772073 662866161 /nfs/dbraw/zinc/86/61/61/662866161.db2.gz GKZLTVPCVWYLHG-PGLGOXFNSA-N 1 0 377.794 2.805 20 0 GFADRO NS(=O)(=O)c1ccc(C[N@@H+]2CCCCC[C@H]2C[C@@H](O)c2cccs2)o1 ZINC000876804442 662866698 /nfs/dbraw/zinc/86/66/98/662866698.db2.gz QJZBMUQSDYXLAT-DZGCQCFKSA-N 1 0 384.523 2.857 20 0 GFADRO Cc1nc(C2CC[NH2+]CC2)sc1C(=O)Nc1c[nH]cc(Br)c1=O ZINC000876882306 662867609 /nfs/dbraw/zinc/86/76/09/662867609.db2.gz GETAPAGJMGLXAO-UHFFFAOYSA-N 1 0 397.298 2.622 20 0 GFADRO O=C(NC1CCC(N2CC[NH2+]CC2)CC1)c1cc2ccnc(Cl)c2s1 ZINC000876913579 662868019 /nfs/dbraw/zinc/86/80/19/662868019.db2.gz JATSRJQHSCWVNN-UHFFFAOYSA-N 1 0 378.929 2.896 20 0 GFADRO CC(C)n1ncc(C(=O)N2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)c1Br ZINC000876944305 662868495 /nfs/dbraw/zinc/86/84/95/662868495.db2.gz KHLFTAQSOXVHQK-GZBFAFLISA-N 1 0 399.333 2.585 20 0 GFADRO O=C(N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)c1cc(Br)cnc1F ZINC000876964326 662868700 /nfs/dbraw/zinc/86/87/00/662868700.db2.gz DAHZYDXOZGOYLK-UKRRQHHQSA-N 1 0 378.245 2.859 20 0 GFADRO Cn1ncc(C[NH3+])c1C(=O)N1CC[C@@H](Sc2ccc(Br)cc2)C1 ZINC000876995109 662869435 /nfs/dbraw/zinc/86/94/35/662869435.db2.gz WMDQIJJXLQFUNX-CQSZACIVSA-N 1 0 395.326 2.648 20 0 GFADRO [NH3+]C1(CNC(=O)c2cnc(-c3ccccc3Br)s2)CCOCC1 ZINC000877014832 662869673 /nfs/dbraw/zinc/86/96/73/662869673.db2.gz SFEOTYKQUXZSCY-UHFFFAOYSA-N 1 0 396.310 2.810 20 0 GFADRO Nc1c(Cl)cccc1C[NH2+]CC1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000877029114 662869966 /nfs/dbraw/zinc/86/99/66/662869966.db2.gz RRDKFGWVOPEOCL-UHFFFAOYSA-N 1 0 385.839 2.573 20 0 GFADRO C[C@](O)(C[NH2+]Cc1cnn2cc(Br)cnc12)c1ccc(F)cc1F ZINC000877039816 662870022 /nfs/dbraw/zinc/87/00/22/662870022.db2.gz JWCBCIWTHQWOFL-INIZCTEOSA-N 1 0 397.223 2.767 20 0 GFADRO Cn1ccc(N2CCC[C@@H]([NH2+]Cc3cc4nc(Cl)ccc4s3)C2=O)n1 ZINC000877067280 662870622 /nfs/dbraw/zinc/87/06/22/662870622.db2.gz FTLUIMIOJULBRB-GFCCVEGCSA-N 1 0 375.885 2.968 20 0 GFADRO CC(C)(C)[C@@]1(C[NH3+])CCN(C(=O)CNC(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000877259219 662872621 /nfs/dbraw/zinc/87/26/21/662872621.db2.gz BAQHSYIHMBZZSN-GOSISDBHSA-N 1 0 386.323 2.947 20 0 GFADRO COCC[C@H](Cc1cccc(Br)c1)C(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000877277338 662872962 /nfs/dbraw/zinc/87/29/62/662872962.db2.gz GYJMHCAFYWKQLV-NJAFHUGGSA-N 1 0 395.341 2.997 20 0 GFADRO O=C(c1cc(-c2ccc(Br)cc2)n[nH]1)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000877289594 662873235 /nfs/dbraw/zinc/87/32/35/662873235.db2.gz UBDWGJXGYXDZKH-CJNGLKHVSA-N 1 0 375.270 2.806 20 0 GFADRO O=C(NCc1cc(C(F)(F)F)cc(Cl)n1)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000877313219 662873354 /nfs/dbraw/zinc/87/33/54/662873354.db2.gz PCSMZAZBSZPFOR-LLVKDONJSA-N 1 0 375.700 2.912 20 0 GFADRO O=C(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)c1cc2cc(Br)ccc2[nH]1 ZINC000877328338 662873617 /nfs/dbraw/zinc/87/36/17/662873617.db2.gz JBIPHCMKRILFEI-AWEZNQCLSA-N 1 0 392.297 2.819 20 0 GFADRO Cc1cc(Br)cc(C(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)c1C ZINC000877328472 662873624 /nfs/dbraw/zinc/87/36/24/662873624.db2.gz JRUFEQFSKBUXJA-HNNXBMFYSA-N 1 0 381.314 2.954 20 0 GFADRO O=C(NC[C@H]1CC2(CO1)CC[NH2+]CC2)[C@H]1CCc2cc(Br)ccc21 ZINC000877328381 662873648 /nfs/dbraw/zinc/87/36/48/662873648.db2.gz FVZDWUJVJJVTQZ-WBVHZDCISA-N 1 0 393.325 2.754 20 0 GFADRO O=C(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)[C@@H]1CCc2cc(Br)ccc21 ZINC000877328378 662873665 /nfs/dbraw/zinc/87/36/65/662873665.db2.gz FVZDWUJVJJVTQZ-DOTOQJQBSA-N 1 0 393.325 2.754 20 0 GFADRO O=C(NC[C@H]1CC2(CO1)CC[NH2+]CC2)c1ccc(Cl)c(Br)c1 ZINC000877330888 662873750 /nfs/dbraw/zinc/87/37/50/662873750.db2.gz IKRIDARDNSUPPB-GFCCVEGCSA-N 1 0 387.705 2.991 20 0 GFADRO O=C(NC[C@H]1CC2(CO1)CC[NH2+]CC2)c1c[nH]nc1-c1ccc(Cl)s1 ZINC000877329774 662873790 /nfs/dbraw/zinc/87/37/90/662873790.db2.gz VICWDPZJRIOGLT-LLVKDONJSA-N 1 0 380.901 2.680 20 0 GFADRO Cc1cc(Br)ccc1CC(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000877329105 662873794 /nfs/dbraw/zinc/87/37/94/662873794.db2.gz NUDXPOQPMZZVEN-MRXNPFEDSA-N 1 0 381.314 2.575 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)Cc2ccc(Br)c(F)c2)C[C@@H]1C(F)(F)F ZINC000877355735 662874189 /nfs/dbraw/zinc/87/41/89/662874189.db2.gz BLDBIAYVTADQMG-UWVGGRQHSA-N 1 0 383.183 2.726 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)Cc2csc(CCC(F)(F)F)n2)C[C@H]1C(F)(F)F ZINC000877356537 662874363 /nfs/dbraw/zinc/87/43/63/662874363.db2.gz SHMWGBRYOWLYOE-PSASIEDQSA-N 1 0 389.365 2.776 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)Cc2cn3cc(Cl)cc(Cl)c3n2)C[C@@H]1C(F)(F)F ZINC000877361387 662874545 /nfs/dbraw/zinc/87/45/45/662874545.db2.gz SCWZFURDZWUGHM-KWQFWETISA-N 1 0 395.212 2.779 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)CCc2ccc(Br)cc2)C[C@H]1C(F)(F)F ZINC000877368028 662874828 /nfs/dbraw/zinc/87/48/28/662874828.db2.gz OWPWUTQVUDRITR-DGCLKSJQSA-N 1 0 379.220 2.977 20 0 GFADRO CC(=O)NCC1CCC([NH2+][C@@H](CO)c2ccc(Br)c(F)c2)CC1 ZINC000877545101 662878492 /nfs/dbraw/zinc/87/84/92/662878492.db2.gz ARAAOPYAAUZBRP-AJUCZRQESA-N 1 0 387.293 2.906 20 0 GFADRO CCO[P@](C)(=O)CC[C@H](C)[NH2+]Cc1cccc(S(=O)(=O)N(C)C)c1 ZINC000877564424 662878882 /nfs/dbraw/zinc/87/88/82/662878882.db2.gz AFHVIWJATYMZQC-PSLXWICFSA-N 1 0 376.459 2.750 20 0 GFADRO C[C@H]([NH2+]Cc1cnn2cc(Br)cnc12)[C@@](C)(O)c1ccccc1 ZINC000877611233 662879920 /nfs/dbraw/zinc/87/99/20/662879920.db2.gz YCQZFBYAZMHBBD-YVEFUNNKSA-N 1 0 375.270 2.878 20 0 GFADRO CC(C)[C@H]([NH2+]Cc1cccc(S(N)(=O)=O)c1)[C@H](O)c1ccc(Cl)cc1 ZINC000877639482 662880567 /nfs/dbraw/zinc/88/05/67/662880567.db2.gz LKNVFUOQLLYMAN-ZWKOTPCHSA-N 1 0 382.913 2.835 20 0 GFADRO CN(C)C[C@H]([NH2+]CC1CCS(=O)(=O)CC1)c1cccc(C(F)(F)F)c1 ZINC000877663920 662881155 /nfs/dbraw/zinc/88/11/55/662881155.db2.gz IEXFURBHWJUUPX-INIZCTEOSA-N 1 0 378.460 2.723 20 0 GFADRO CN1CC[NH+](C2CCN(Cc3cc(Br)cc4c3OCC4)CC2)CC1 ZINC000877746227 662882727 /nfs/dbraw/zinc/88/27/27/662882727.db2.gz JSQSNZKWVDEWOZ-UHFFFAOYSA-N 1 0 394.357 2.596 20 0 GFADRO Brc1ccc(N2CC[NH+](C[C@H]3CC4(CO3)CCOCC4)CC2)nc1 ZINC000877930800 662886316 /nfs/dbraw/zinc/88/63/16/662886316.db2.gz UHQVQZUWXAGHNE-MRXNPFEDSA-N 1 0 396.329 2.552 20 0 GFADRO CNC(=O)CCOC1CC[NH+](C[C@H](O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000878168541 662891035 /nfs/dbraw/zinc/89/10/35/662891035.db2.gz FYUFSEUFEMIQAH-INIZCTEOSA-N 1 0 375.296 2.644 20 0 GFADRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(C[C@@H](O)c2cc(Br)no2)C1 ZINC000878171925 662891121 /nfs/dbraw/zinc/89/11/21/662891121.db2.gz YSUWFSUFCSPYKL-HUUCEWRRSA-N 1 0 380.286 2.677 20 0 GFADRO C[NH+]1CCC(NC(=O)CN2CCC[C@@H]2c2ccccc2Br)CC1 ZINC000878184437 662891332 /nfs/dbraw/zinc/89/13/32/662891332.db2.gz WCCIMIUYRRUZMR-QGZVFWFLSA-N 1 0 380.330 2.796 20 0 GFADRO C[NH+](C)C1(CNC(=O)Nc2cc(Br)ccc2N2CCOCC2)CC1 ZINC000878341751 662894151 /nfs/dbraw/zinc/89/41/51/662894151.db2.gz GSNYCOBATBUSOH-UHFFFAOYSA-N 1 0 397.317 2.501 20 0 GFADRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC[C@@H](O)c1cc(Br)no1 ZINC000878445423 662896652 /nfs/dbraw/zinc/89/66/52/662896652.db2.gz GPOOBPROSLOOSE-VNQPRFMTSA-N 1 0 394.313 2.971 20 0 GFADRO CN(CC(=O)NC1CC[NH+](C)CC1)Cc1ccc(Br)cc1Cl ZINC000878503867 662897671 /nfs/dbraw/zinc/89/76/71/662897671.db2.gz ZGDPFXIMOGOVGF-UHFFFAOYSA-N 1 0 388.737 2.745 20 0 GFADRO OCC[N@@H+](Cc1ccc(Br)s1)C[C@H](O)CC1(CO)CCCC1 ZINC000878507231 662897706 /nfs/dbraw/zinc/89/77/06/662897706.db2.gz SGOYPFNVOSALER-CYBMUJFWSA-N 1 0 392.359 2.609 20 0 GFADRO OC[C@H]1C[N@H+](C[C@H](O)c2ccc(Br)cc2)CC[C@H]1C(F)(F)F ZINC000878604642 662899951 /nfs/dbraw/zinc/89/99/51/662899951.db2.gz DMDYLAMMJSFPTL-BNOWGMLFSA-N 1 0 382.220 2.975 20 0 GFADRO O[C@@H](COc1cc(Cl)cc(Cl)c1)C[NH+]1CCC2(CC1)OCCCO2 ZINC000878652666 662901877 /nfs/dbraw/zinc/90/18/77/662901877.db2.gz TWFZZKWBLBMMFP-OAHLLOKOSA-N 1 0 376.280 2.962 20 0 GFADRO C[N@H+](C[C@H](O)C[C@H](O)c1ccccc1)C[C@H](O)c1cccc(Br)c1 ZINC000878709915 662903504 /nfs/dbraw/zinc/90/35/04/662903504.db2.gz WRAZUTACCIBOJW-QYZOEREBSA-N 1 0 394.309 2.899 20 0 GFADRO C[NH+](C)C1(CNC(=O)Nc2cccc(F)c2I)CC1 ZINC000879038830 662914255 /nfs/dbraw/zinc/91/42/55/662914255.db2.gz ZWYXJSHKPQZGNP-UHFFFAOYSA-N 1 0 377.201 2.646 20 0 GFADRO C[N@H+](C[C@@H](O)COc1cc(Cl)cc(Cl)c1)C[C@H](O)c1ccc(F)cn1 ZINC000879115487 662917483 /nfs/dbraw/zinc/91/74/83/662917483.db2.gz KAKKERZMFAIDOJ-PBHICJAKSA-N 1 0 389.254 2.933 20 0 GFADRO OC[C@H]([NH2+]C[C@@H](O)c1cc(Br)no1)c1cccc(C(F)(F)F)c1 ZINC000879114141 662917640 /nfs/dbraw/zinc/91/76/40/662917640.db2.gz HITIOXVTCQMBTC-WDEREUQCSA-N 1 0 395.175 2.813 20 0 GFADRO C[N@@H+](C[C@@H](O)c1ccc(F)cn1)C[C@H](O)COc1cc(Cl)cc(Cl)c1 ZINC000879115492 662917796 /nfs/dbraw/zinc/91/77/96/662917796.db2.gz KAKKERZMFAIDOJ-WMLDXEAASA-N 1 0 389.254 2.933 20 0 GFADRO Cc1nccc(NC(=O)N2CCN(c3cc[nH+]cc3)[C@H](C)C2)c1Br ZINC000879315809 662923131 /nfs/dbraw/zinc/92/31/31/662923131.db2.gz IWUVFUGVPMNBNL-GFCCVEGCSA-N 1 0 390.285 2.712 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(C(=O)Nc3ccc4nccnc4c3Br)CC[C@@H]21 ZINC000879547765 662928896 /nfs/dbraw/zinc/92/88/96/662928896.db2.gz FMEYKMQJIXUBGE-RISCZKNCSA-N 1 0 390.285 2.950 20 0 GFADRO CN1CC[NH+](C2CCN(Cc3cn4cc(Cl)cc(Cl)c4n3)CC2)CC1 ZINC000879592391 662930191 /nfs/dbraw/zinc/93/01/91/662930191.db2.gz IWHBXPSVDOXXNQ-UHFFFAOYSA-N 1 0 382.339 2.853 20 0 GFADRO COC[C@@H]([NH2+]CCCS(=O)(=O)C(C)C)c1cccc(Br)c1 ZINC000879662206 662934893 /nfs/dbraw/zinc/93/48/93/662934893.db2.gz UESYHANLYCPJNW-OAHLLOKOSA-N 1 0 378.332 2.940 20 0 GFADRO Cc1cc(Br)nc(NC(=O)N2CCC[C@@H]([NH2+]C3CCOCC3)C2)c1 ZINC000879846256 662940637 /nfs/dbraw/zinc/94/06/37/662940637.db2.gz WJQLQSVUAGEERT-CQSZACIVSA-N 1 0 397.317 2.917 20 0 GFADRO Cn1ncc(Br)c1CC(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000879899699 662941779 /nfs/dbraw/zinc/94/17/79/662941779.db2.gz SQWCTBYMELXROF-AWEZNQCLSA-N 1 0 399.720 2.798 20 0 GFADRO CONC(=O)C1CC[NH+](Cc2cc(Br)cc3cccnc32)CC1 ZINC000879923010 662942260 /nfs/dbraw/zinc/94/22/60/662942260.db2.gz CKSUQOCAZAGYRE-UHFFFAOYSA-N 1 0 378.270 2.887 20 0 GFADRO CC(C)(C)OC(=O)NC[C@@H]1C[N@H+](CCOCC(F)F)C[C@@H]1C(F)(F)F ZINC000880026085 662945715 /nfs/dbraw/zinc/94/57/15/662945715.db2.gz DUMBASARZXUHLH-MNOVXSKESA-N 1 0 376.366 2.903 20 0 GFADRO COc1cccc([C@H](CNC(=O)Nc2cn(C)nc2Br)[NH+](C)C)c1 ZINC000880037237 662946019 /nfs/dbraw/zinc/94/60/19/662946019.db2.gz DTVFWTHYTJPAHH-AWEZNQCLSA-N 1 0 396.289 2.616 20 0 GFADRO Cn1cc(NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)c(Br)n1 ZINC000880037403 662946021 /nfs/dbraw/zinc/94/60/21/662946021.db2.gz FWZNAVAZOFDZPR-ZDUSSCGKSA-N 1 0 378.274 2.579 20 0 GFADRO Cn1cc(NC(=O)NCCC[N@@H+]2CCc3ccccc3C2)c(Br)n1 ZINC000880039845 662946409 /nfs/dbraw/zinc/94/64/09/662946409.db2.gz BUGYMQQMCMAEFL-UHFFFAOYSA-N 1 0 392.301 2.753 20 0 GFADRO Cn1cc(NC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c(Br)n1 ZINC000880050633 662947679 /nfs/dbraw/zinc/94/76/79/662947679.db2.gz OGDVKPCZRNFMRV-FZMZJTMJSA-N 1 0 382.306 2.663 20 0 GFADRO FC(F)(F)[C@H]1CCN(CCC[N@@H+]2CCO[C@H](C(F)(F)F)CC2)CCO1 ZINC000880053966 662948099 /nfs/dbraw/zinc/94/80/99/662948099.db2.gz UXJSTKXIPNOARJ-BETUJISGSA-N 1 0 378.357 2.683 20 0 GFADRO COC(=O)c1scc(C)c1NC(=O)[C@H](C)[N@H+](C[C@H](O)CSC)C(C)C ZINC000880215994 662954802 /nfs/dbraw/zinc/95/48/02/662954802.db2.gz MBHFASCNLNCIMV-STQMWFEESA-N 1 0 388.555 2.604 20 0 GFADRO CNC(=O)c1cccc(C[NH2+][C@@]2(c3ccc(Br)cc3)C[C@@H](O)C2)c1 ZINC000880218292 662955001 /nfs/dbraw/zinc/95/50/01/662955001.db2.gz KZWOOZNSADSAQM-IZAXUBKRSA-N 1 0 389.293 2.949 20 0 GFADRO Cc1csc(=O)n1CC[NH2+][C@@]1(c2ccc(Br)cc2)C[C@@H](O)C1 ZINC000880221195 662955282 /nfs/dbraw/zinc/95/52/82/662955282.db2.gz LOTQSDYZWKRQNK-FZNQNYSPSA-N 1 0 383.311 2.621 20 0 GFADRO Cc1cc(NC(=O)Cc2c(Br)cnn2C)ccc1OCC[NH+](C)C ZINC000880275503 662956972 /nfs/dbraw/zinc/95/69/72/662956972.db2.gz RHIKLFDWUARLPJ-UHFFFAOYSA-N 1 0 395.301 2.613 20 0 GFADRO CS[C@@H]1CN(C(=O)Nc2ccc(C(=O)C(F)(F)F)cc2)C[C@H]1[NH+](C)C ZINC000880431447 662959859 /nfs/dbraw/zinc/95/98/59/662959859.db2.gz ZDHFWASLCBWCIZ-CHWSQXEVSA-N 1 0 375.416 2.941 20 0 GFADRO O[C@@H](COc1c(Cl)cccc1Cl)C[N@@H+]1C[C@@H](O)CC2(CCOCC2)C1 ZINC000880588879 662963544 /nfs/dbraw/zinc/96/35/44/662963544.db2.gz HWWAPQCFQYZESJ-UONOGXRCSA-N 1 0 390.307 2.597 20 0 GFADRO C[N@@H+]1CC[C@H]2CN(C(=O)Nc3c4c(ccc3Br)OCC4)CC[C@H]21 ZINC000880798299 662970166 /nfs/dbraw/zinc/97/01/66/662970166.db2.gz QPHBSAFJDGJIDG-SMDDNHRTSA-N 1 0 380.286 2.942 20 0 GFADRO C[NH+](C)CCn1ccc(NC(=O)Nc2c3c(ccc2Br)OCC3)n1 ZINC000880800554 662971302 /nfs/dbraw/zinc/97/13/02/662971302.db2.gz YBDKREAHVUCLHA-UHFFFAOYSA-N 1 0 394.273 2.786 20 0 GFADRO CC(=O)c1ccc(Br)c(NC(=O)NCCC[N@@H+](C)CCN(C)C)c1 ZINC000880808045 662973703 /nfs/dbraw/zinc/97/37/03/662973703.db2.gz MOQRHKVKNPMILE-UHFFFAOYSA-N 1 0 399.333 2.657 20 0 GFADRO CCC[N@H+](CC)CCNC(=O)Nc1cc(Br)cc2c1NC(=O)CO2 ZINC000881270366 662986987 /nfs/dbraw/zinc/98/69/87/662986987.db2.gz SFBHDRHBCIQFRE-UHFFFAOYSA-N 1 0 399.289 2.633 20 0 GFADRO C[C@](O)(Cn1cc(C[C@@H]2CC[NH2+]C2)nn1)c1ccc(Br)cc1Cl ZINC000881422709 662993672 /nfs/dbraw/zinc/99/36/72/662993672.db2.gz FNSHIOHYQTYNPC-ZBEGNZNMSA-N 1 0 399.720 2.754 20 0 GFADRO O=C(Cc1cc(F)ccc1Br)N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000881473871 662995380 /nfs/dbraw/zinc/99/53/80/662995380.db2.gz BJDBEKPHUSDMOR-MRXNPFEDSA-N 1 0 399.304 2.890 20 0 GFADRO O=C(c1ccc(Br)c(O)c1)N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000881475633 662995555 /nfs/dbraw/zinc/99/55/55/662995555.db2.gz YVEGOCNSNXRXQA-CQSZACIVSA-N 1 0 383.286 2.528 20 0 GFADRO C[NH+](C)Cc1cccc(CNS(=O)(=O)N=[S@@](C)(=O)C2CCCCC2)c1 ZINC000881781658 663003045 /nfs/dbraw/zinc/00/30/45/663003045.db2.gz XSTBNINZZYWGBM-DEOSSOPVSA-N 1 0 387.571 2.513 20 0 GFADRO CC(C)C[N@@H+]1CCC[C@H](CNS(=O)(=O)N=[S@](C)(=O)C2CCCCC2)C1 ZINC000882006473 663013312 /nfs/dbraw/zinc/01/33/12/663013312.db2.gz ZOAZKUNLDXNHCS-VOIUYBSRSA-N 1 0 393.619 2.619 20 0 GFADRO N=[S@@](=O)(c1ccc(N2CC[NH+](C[C@@H]3CCOC3)CC2)cc1)C(F)(F)F ZINC000882060720 663015437 /nfs/dbraw/zinc/01/54/37/663015437.db2.gz SNDUEYWMSQOFHZ-ZJWNCGCPSA-N 1 0 377.432 2.771 20 0 GFADRO CN(c1ccc2nnc(Br)n2n1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000882095782 663016505 /nfs/dbraw/zinc/01/65/05/663016505.db2.gz YBKMPJFIOWDORZ-AWEZNQCLSA-N 1 0 387.285 2.598 20 0 GFADRO Brc1nnc2ccc(NCC3CCN(c4cc[nH+]cc4)CC3)nn12 ZINC000882155608 663018687 /nfs/dbraw/zinc/01/86/87/663018687.db2.gz INBOVGVXUAVHFI-UHFFFAOYSA-N 1 0 388.273 2.610 20 0 GFADRO C[C@H](Nc1ccc2nnc(Br)n2n1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000882171595 663019378 /nfs/dbraw/zinc/01/93/78/663019378.db2.gz GSFKXKYEISIMGS-RYUDHWBXSA-N 1 0 379.306 2.952 20 0 GFADRO C[C@H]1CN(c2ccc([S@](=N)(=O)C(F)(F)F)cc2)CC[N@@H+]1CC(C)(C)O ZINC000882232850 663021796 /nfs/dbraw/zinc/02/17/96/663021796.db2.gz BEJAZGNLOJOLMG-VDBVYFBLSA-N 1 0 379.448 2.893 20 0 GFADRO C[NH+](C)CCc1ccc(CNc2ccc3nnc(Br)n3n2)cc1 ZINC000882239661 663022029 /nfs/dbraw/zinc/02/20/29/663022029.db2.gz CUKCWVRPDSOLFG-UHFFFAOYSA-N 1 0 375.274 2.603 20 0 GFADRO CN(Cc1cscc1Br)C(=O)NCCCC[NH+]1CCOCC1 ZINC000883122403 663050181 /nfs/dbraw/zinc/05/01/81/663050181.db2.gz MEXIFYBJZVAPTR-UHFFFAOYSA-N 1 0 390.347 2.764 20 0 GFADRO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]CC1(C)CC(F)(F)C1 ZINC000883250349 663052016 /nfs/dbraw/zinc/05/20/16/663052016.db2.gz QTILNYUFYRAYTF-NSHDSACASA-N 1 0 381.876 2.730 20 0 GFADRO CS(=O)(=O)[C@H]1C[C@H]([NH2+][C@@H](c2ccc(Br)cc2)[C@@H]2CCCO2)C1 ZINC000883375025 663054238 /nfs/dbraw/zinc/05/42/38/663054238.db2.gz ZSRMXSSCNBHXHV-VGWMRTNUSA-N 1 0 388.327 2.834 20 0 GFADRO Clc1cccc(-c2nc(CN3CCN([C@@H]4CC[NH2+]C4)CC3)no2)c1Cl ZINC000883428138 663055050 /nfs/dbraw/zinc/05/50/50/663055050.db2.gz MOYHKKNUEAJZHT-GFCCVEGCSA-N 1 0 382.295 2.523 20 0 GFADRO [NH3+]CCN(Cc1nc(Cc2cccc(Br)c2)no1)CC(F)(F)F ZINC000883445197 663055194 /nfs/dbraw/zinc/05/51/94/663055194.db2.gz MDWXSESUQBZKEV-UHFFFAOYSA-N 1 0 393.207 2.746 20 0 GFADRO [NH3+]CCN(CC(F)(F)F)S(=O)(=O)c1ccc(Cl)cc1Br ZINC000883471543 663055603 /nfs/dbraw/zinc/05/56/03/663055603.db2.gz POJNKXVVFFFDEF-UHFFFAOYSA-N 1 0 395.628 2.614 20 0 GFADRO [NH3+]Cc1nc2c(s1)CCN(S(=O)(=O)Cc1cccc(C(F)(F)F)c1)C2 ZINC000883481433 663056029 /nfs/dbraw/zinc/05/60/29/663056029.db2.gz LBXARJGBPRVSLQ-UHFFFAOYSA-N 1 0 391.440 2.509 20 0 GFADRO CCOc1ccc(Br)cc1S(=O)(=O)N1CCC([NH3+])(CC)CC1 ZINC000883484014 663056185 /nfs/dbraw/zinc/05/61/85/663056185.db2.gz BZWPSDANORONQO-UHFFFAOYSA-N 1 0 391.331 2.740 20 0 GFADRO CN(CCCCCC[NH3+])C(=O)Nc1cc(Br)cc2c1NC(=O)CO2 ZINC000883593243 663057448 /nfs/dbraw/zinc/05/74/48/663057448.db2.gz FISYQPXBUWGGAP-UHFFFAOYSA-N 1 0 399.289 2.763 20 0 GFADRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)Nc1cc(Br)cc2c1NC(=O)CO2 ZINC000883592710 663057454 /nfs/dbraw/zinc/05/74/54/663057454.db2.gz PXRJNCWUJRLUHU-NSHDSACASA-N 1 0 399.289 2.617 20 0 GFADRO CCC1([NH3+])CCN(C(=O)C(=O)Nc2cc(C)c(Br)cc2F)CC1 ZINC000883626743 663058274 /nfs/dbraw/zinc/05/82/74/663058274.db2.gz FFNGPMALPHAEET-UHFFFAOYSA-N 1 0 386.265 2.565 20 0 GFADRO CCC1([NH3+])CCN(C(=O)C(=O)Nc2ccc(OC(F)F)c(Cl)c2)CC1 ZINC000883629033 663058432 /nfs/dbraw/zinc/05/84/32/663058432.db2.gz HEKDBPURFHJGLJ-UHFFFAOYSA-N 1 0 375.803 2.610 20 0 GFADRO CN(Cc1ccc(Br)s1)C(=O)c1ccnc(N2CC[NH2+]CC2)c1 ZINC000884058052 663064424 /nfs/dbraw/zinc/06/44/24/663064424.db2.gz ZIGOMLWVJQTMJY-UHFFFAOYSA-N 1 0 395.326 2.587 20 0 GFADRO Cc1noc(C2CCN(C(=O)[C@@H]([NH3+])c3ccc(Br)cc3)CC2)n1 ZINC000884100420 663065102 /nfs/dbraw/zinc/06/51/02/663065102.db2.gz UMXOJDGPSONXHC-AWEZNQCLSA-N 1 0 379.258 2.547 20 0 GFADRO CC1(C)C[NH2+]C[C@@H]1C(=O)NC1(c2cccc(Br)c2)CCOCC1 ZINC000884101856 663065231 /nfs/dbraw/zinc/06/52/31/663065231.db2.gz KDIYWCLDVXQBJX-OAHLLOKOSA-N 1 0 381.314 2.817 20 0 GFADRO [NH3+][C@H](C(=O)NC[C@@H]1OCCc2ccccc21)c1ccc(Br)cc1 ZINC000884138128 663065872 /nfs/dbraw/zinc/06/58/72/663065872.db2.gz FQIYGMBHCKJQRL-IRXDYDNUSA-N 1 0 375.266 2.879 20 0 GFADRO [NH3+][C@@H](C(=O)NC[C@@H]1OCCc2ccccc21)c1ccc(Br)cc1 ZINC000884138126 663065887 /nfs/dbraw/zinc/06/58/87/663065887.db2.gz FQIYGMBHCKJQRL-DLBZAZTESA-N 1 0 375.266 2.879 20 0 GFADRO COCC[C@@H]([NH3+])C(=O)N1CCC(COc2cc(Cl)cc(Cl)c2)CC1 ZINC000884151349 663066132 /nfs/dbraw/zinc/06/61/32/663066132.db2.gz JWIWXLGZHBGIGH-MRXNPFEDSA-N 1 0 375.296 2.975 20 0 GFADRO O=C(COCCc1ccc(Br)cc1)NCc1ccc2c(c1)C[NH2+]C2 ZINC000884266126 663067770 /nfs/dbraw/zinc/06/77/70/663067770.db2.gz FTJAANGINBBLFE-UHFFFAOYSA-N 1 0 389.293 2.928 20 0 GFADRO O=C(COCCc1ccc(Br)cc1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000884280670 663068088 /nfs/dbraw/zinc/06/80/88/663068088.db2.gz QQZCZSAQKLQAKL-GOSISDBHSA-N 1 0 381.314 2.610 20 0 GFADRO C[C@@H](CCC[NH3+])NC(=O)c1cc(Br)nn1-c1ncccc1Cl ZINC000884296095 663068342 /nfs/dbraw/zinc/06/83/42/663068342.db2.gz OUBONXBEUUARSN-VIFPVBQESA-N 1 0 386.681 2.540 20 0 GFADRO Cc1cc2scc(CC(=O)N3CCC[C@@H](n4cc(C[NH3+])nn4)C3)c2s1 ZINC000884340763 663069285 /nfs/dbraw/zinc/06/92/85/663069285.db2.gz NQTIVYMMBRGZTJ-CQSZACIVSA-N 1 0 375.523 2.728 20 0 GFADRO COCC[C@@H]([NH3+])C(=O)N[C@@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC000884435525 663070778 /nfs/dbraw/zinc/07/07/78/663070778.db2.gz APXYUEACSXQCEJ-UKRRQHHQSA-N 1 0 380.286 2.788 20 0 GFADRO C[C@H]1CC[C@H](NC(=O)c2cc(Br)nn2-c2ncccc2Cl)C[NH2+]1 ZINC000884438372 663070800 /nfs/dbraw/zinc/07/08/00/663070800.db2.gz ZDVLYXGSJLAJSP-UWVGGRQHSA-N 1 0 398.692 2.554 20 0 GFADRO CCC1([NH+]2CCC2)CCN(Cn2nnn(Cc3cccs3)c2=S)CC1 ZINC000884474818 663071173 /nfs/dbraw/zinc/07/11/73/663071173.db2.gz MZZCNLPYDYKYQO-UHFFFAOYSA-N 1 0 378.571 2.827 20 0 GFADRO COCC(C)(C)[NH+]1CCN(c2nc3ccc(Br)cc3c(=O)[nH]2)CC1 ZINC000884536532 663072175 /nfs/dbraw/zinc/07/21/75/663072175.db2.gz CRIJQCHPPLLREP-UHFFFAOYSA-N 1 0 395.301 2.645 20 0 GFADRO Cc1cc(Br)ccc1CS(=O)(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000884962279 663079917 /nfs/dbraw/zinc/07/99/17/663079917.db2.gz VAUMGMGQPKOYOY-JKSUJKDBSA-N 1 0 387.343 2.804 20 0 GFADRO O=C(NC[C@@H]1CC[N@@H+]1C1CCOCC1)[C@@H]1CCc2cc(Br)ccc21 ZINC000885888389 663100473 /nfs/dbraw/zinc/10/04/73/663100473.db2.gz IFHIVJVGGZGQFC-FUHWJXTLSA-N 1 0 393.325 2.848 20 0 GFADRO O=C(Nc1ccc(Br)cn1)C1CC[NH+](C[C@@H]2C[C@]23CCOC3)CC1 ZINC000886051738 663102796 /nfs/dbraw/zinc/10/27/96/663102796.db2.gz CFSPWQSNRLHUNX-KSSFIOAISA-N 1 0 394.313 2.921 20 0 GFADRO CO[C@@H]1CCC[C@H]([NH2+]CCNS(=O)(=O)c2ccc(F)cc2Cl)CC1 ZINC000886107723 663103431 /nfs/dbraw/zinc/10/34/31/663103431.db2.gz YGFKIYHWDRSJCY-UONOGXRCSA-N 1 0 378.897 2.695 20 0 GFADRO OC[C@H](C[C@H]1CCCO1)[NH2+]C1CCN(Cc2ccccc2Br)CC1 ZINC000886226962 663105286 /nfs/dbraw/zinc/10/52/86/663105286.db2.gz UKTURYODUUULCJ-ZWKOTPCHSA-N 1 0 397.357 2.933 20 0 GFADRO OC[C@H](C[C@H]1CCCO1)[NH2+]Cc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000886228553 663105303 /nfs/dbraw/zinc/10/53/03/663105303.db2.gz AXYJDQXKGUUGEA-LSDHHAIUSA-N 1 0 380.286 2.859 20 0 GFADRO O[C@@H]1CC[C@@H]([NH2+]Cc2ccc(Br)c(Br)c2)CC[C@@H]1O ZINC000886259981 663106357 /nfs/dbraw/zinc/10/63/57/663106357.db2.gz MLZIBSVBRZZHJB-OJNYZHBWSA-N 1 0 393.119 2.966 20 0 GFADRO Cc1[nH]c(C2CCN(Cc3cc(Cl)cc(S(N)(=O)=O)c3)CC2)[nH+]c1C ZINC000886662719 663115329 /nfs/dbraw/zinc/11/53/29/663115329.db2.gz KNDWSNNISKXDCW-UHFFFAOYSA-N 1 0 382.917 2.707 20 0 GFADRO OC[C@]1(C(F)(F)F)CC[N@H+](C[C@@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000886793831 663118946 /nfs/dbraw/zinc/11/89/46/663118946.db2.gz UXDDEOHPMUDMKO-RISCZKNCSA-N 1 0 388.213 2.980 20 0 GFADRO Cc1cc(Br)ccc1CS(=O)(=O)N[C@H]1CC[NH2+]CC1(C)C ZINC000886886596 663123455 /nfs/dbraw/zinc/12/34/55/663123455.db2.gz MKRLCBMTEGYWSH-AWEZNQCLSA-N 1 0 375.332 2.565 20 0 GFADRO O=S(=O)(NC[C@H]1C[NH2+]CCC1(F)F)c1ccc(Cl)cc1C(F)(F)F ZINC000886895460 663123863 /nfs/dbraw/zinc/12/38/63/663123863.db2.gz SNFTYSUTRZNIMO-MRVPVSSYSA-N 1 0 392.777 2.882 20 0 GFADRO [NH3+]CCN(Cc1cccc(Cl)c1)S(=O)(=O)c1cnccc1C(F)(F)F ZINC000886894407 663123883 /nfs/dbraw/zinc/12/38/83/663123883.db2.gz MXVDQWYLNRBWHU-UHFFFAOYSA-N 1 0 393.818 2.903 20 0 GFADRO O=S(=O)(NC[C@H]1C[NH2+]CCC1(F)F)c1ccc(C(F)(F)F)cc1Cl ZINC000886897776 663124044 /nfs/dbraw/zinc/12/40/44/663124044.db2.gz HYWQFKXMVYEULZ-SECBINFHSA-N 1 0 392.777 2.882 20 0 GFADRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)Nc1cc(Br)c2ccccc2c1 ZINC000886984355 663127378 /nfs/dbraw/zinc/12/73/78/663127378.db2.gz YDFCKHZQAAPODI-BDJLRTHQSA-N 1 0 390.281 2.655 20 0 GFADRO C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)Nc1cc(Br)c2ccccc2c1 ZINC000886983893 663127385 /nfs/dbraw/zinc/12/73/85/663127385.db2.gz KWVOFTYNXVHBLP-MNOVXSKESA-N 1 0 378.270 2.783 20 0 GFADRO C[N@H+](CCO)CCNC(=O)Nc1ccc(Br)cc1C(F)(F)F ZINC000887254478 663139768 /nfs/dbraw/zinc/13/97/68/663139768.db2.gz CWMBIGVWGGIILZ-UHFFFAOYSA-N 1 0 384.196 2.514 20 0 GFADRO C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)Nc1cccc(Br)n1 ZINC000887981524 663173067 /nfs/dbraw/zinc/17/30/67/663173067.db2.gz UFORJSUZMRFOQD-LBPRGKRZSA-N 1 0 376.258 2.982 20 0 GFADRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)Nc1nc2ccc(Cl)nc2s1 ZINC000888785171 663215645 /nfs/dbraw/zinc/21/56/45/663215645.db2.gz RHHQXGRXHGAYST-LLVKDONJSA-N 1 0 383.905 2.919 20 0 GFADRO COCC[N@@H+]1CC[C@@H](NC(=O)Nc2cccc(-c3nnsc3Cl)c2)C1 ZINC000888866059 663221021 /nfs/dbraw/zinc/22/10/21/663221021.db2.gz ODLPGVVJGPJMLR-CYBMUJFWSA-N 1 0 381.889 2.701 20 0 GFADRO CCc1ccc(Br)cc1C(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000889739963 663261968 /nfs/dbraw/zinc/26/19/68/663261968.db2.gz QLZHRQNVIIUAMX-IRXDYDNUSA-N 1 0 381.314 2.683 20 0 GFADRO O=C(c1cc(Br)ccc1C1CC1)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000889741826 663262164 /nfs/dbraw/zinc/26/21/64/663262164.db2.gz GCAKKFGPFMTDCZ-ZWKOTPCHSA-N 1 0 393.325 2.998 20 0 GFADRO O=C(N1CC[C@H]2[C@H]1CCC[N@H+]2CCO)C1(c2cccc(Br)c2)CC1 ZINC000889773565 663265640 /nfs/dbraw/zinc/26/56/40/663265640.db2.gz BYEUDGZVYSXKMX-DLBZAZTESA-N 1 0 393.325 2.538 20 0 GFADRO Cn1cc(C(=O)NC[C@]2(C)CC[N@H+](Cc3ccccc3)C2)c(Br)n1 ZINC000890383889 663298307 /nfs/dbraw/zinc/29/83/07/663298307.db2.gz UQMYZYVXAYOLOS-SFHVURJKSA-N 1 0 391.313 2.825 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)NCc2csc(Br)c2)C[C@@H]1C(F)(F)F ZINC000891372643 663337698 /nfs/dbraw/zinc/33/76/98/663337698.db2.gz YDHVERQOJBYVFV-IUCAKERBSA-N 1 0 386.237 2.789 20 0 GFADRO C[C@H](Cc1cccc(Br)c1)NC(=O)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000891438443 663339577 /nfs/dbraw/zinc/33/95/77/663339577.db2.gz SDZLXHWCYMVXRH-YPMHNXCESA-N 1 0 390.272 2.924 20 0 GFADRO O=C(NCCc1cc(Br)ccc1F)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000891442425 663339797 /nfs/dbraw/zinc/33/97/97/663339797.db2.gz TWRPJVBCYKGOFA-NSHDSACASA-N 1 0 394.235 2.675 20 0 GFADRO COc1cc(Br)c(CNC(=O)N2C3CCC2(C[NH3+])CC3)cc1OC ZINC000891494238 663341403 /nfs/dbraw/zinc/34/14/03/663341403.db2.gz LLWZPUIFMKKPBM-UHFFFAOYSA-N 1 0 398.301 2.632 20 0 GFADRO C[C@@H]1C[C@H]([NH3+])CN1C(=O)NC1CCN(Cc2ccc(Br)cc2)CC1 ZINC000891682219 663347048 /nfs/dbraw/zinc/34/70/48/663347048.db2.gz SKSLJZJONKMUKV-CJNGLKHVSA-N 1 0 395.345 2.545 20 0 GFADRO COc1cc(Br)ccc1[C@@H](C)NC(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000891842850 663352747 /nfs/dbraw/zinc/35/27/47/663352747.db2.gz XFJIAHIDXMWJTC-BWACUDIHSA-N 1 0 382.302 2.770 20 0 GFADRO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)NCc1ccc(Cl)cc1I ZINC000891858868 663353174 /nfs/dbraw/zinc/35/31/74/663353174.db2.gz WQIPQZGAHKHVRV-LDYMZIIASA-N 1 0 393.656 2.576 20 0 GFADRO CC1(C)C[NH2+]CC[C@H](NC(=O)NCCCCn2cc(Br)cn2)C1 ZINC000891866079 663353307 /nfs/dbraw/zinc/35/33/07/663353307.db2.gz ZSHVEMZOGTXARF-AWEZNQCLSA-N 1 0 386.338 2.503 20 0 GFADRO CN(C(=O)NCCCCn1cc(Br)cn1)C1(C[NH3+])CCCCC1 ZINC000891863709 663353423 /nfs/dbraw/zinc/35/34/23/663353423.db2.gz ARDSNOJHYMVLKO-UHFFFAOYSA-N 1 0 386.338 2.729 20 0 GFADRO C[C@@H](NC(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1)c1ccc(Br)cn1 ZINC000891867501 663353610 /nfs/dbraw/zinc/35/36/10/663353610.db2.gz PZZWJJMXXNPJNM-WBMJQRKESA-N 1 0 389.297 2.919 20 0 GFADRO O=C(N[C@@H]1CCOc2c(Br)cccc21)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000891883017 663354302 /nfs/dbraw/zinc/35/43/02/663354302.db2.gz XVMQBFHKUPEKTD-JKIFEVAISA-N 1 0 380.286 2.857 20 0 GFADRO COC[C@H](NC(=O)N[C@H](C)[C@H]1CCC[NH2+]C1)c1cccc(Br)c1 ZINC000891981512 663357332 /nfs/dbraw/zinc/35/73/32/663357332.db2.gz LMQGKSAZVWMLMO-INWMFGNUSA-N 1 0 384.318 2.824 20 0 GFADRO COC[C@@H](NC(=O)NC[C@]1(C)CCC[NH2+]C1)c1cccc(Br)c1 ZINC000892057202 663360776 /nfs/dbraw/zinc/36/07/76/663360776.db2.gz MBEKBCHWNGMMBV-NVXWUHKLSA-N 1 0 384.318 2.826 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)N[C@@H]3[C@@H]4Cc5c(cccc5Br)[C@@H]43)C[C@@H]21 ZINC000892322693 663369267 /nfs/dbraw/zinc/36/92/67/663369267.db2.gz OBWPFCGRVWTMPH-CEEMQSKCSA-N 1 0 390.325 2.856 20 0 GFADRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)N[C@@H]3[C@H]4Cc5cc(Br)ccc5[C@@H]34)C[C@H]21 ZINC000892428277 663373328 /nfs/dbraw/zinc/37/33/28/663373328.db2.gz WHLOBXHAIWTIEL-ZUXBHQFZSA-N 1 0 390.325 2.856 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)N[C@@H]3[C@H]4Cc5cc(Br)ccc5[C@@H]34)C[C@H]21 ZINC000892428274 663373373 /nfs/dbraw/zinc/37/33/73/663373373.db2.gz WHLOBXHAIWTIEL-UTZTXXFQSA-N 1 0 390.325 2.856 20 0 GFADRO [NH3+]C[C@H]1CC[C@H](NC(=O)N(CCO)Cc2cc(Br)cs2)CC1 ZINC000892436886 663373617 /nfs/dbraw/zinc/37/36/17/663373617.db2.gz DSWCDPXIWSEMJS-AULYBMBSSA-N 1 0 390.347 2.532 20 0 GFADRO COc1ccc([C@H](C[NH2+]C[C@H]2C[C@@]2(C)Br)N2CCOCC2)cc1 ZINC000892439191 663373763 /nfs/dbraw/zinc/37/37/63/663373763.db2.gz TZIOCCXQRYDHAL-BPQIPLTHSA-N 1 0 383.330 2.832 20 0 GFADRO COc1ccc([C@H](C)[NH2+][C@@H](C)[C@H]2CCS(=O)(=O)C2)cc1Br ZINC000892469984 663374694 /nfs/dbraw/zinc/37/46/94/663374694.db2.gz VNOJWCWSGHOBLM-GVXVVHGQSA-N 1 0 376.316 2.932 20 0 GFADRO C[NH+](C)CCOC1CCN(c2ncc(Br)c3cccnc32)CC1 ZINC000892486674 663375124 /nfs/dbraw/zinc/37/51/24/663375124.db2.gz YKJVWPHOCSAGFM-UHFFFAOYSA-N 1 0 379.302 2.939 20 0 GFADRO COc1cc(C[NH2+][C@@H](C)[C@H]2CCS(=O)(=O)C2)ccc1OCC(F)(F)F ZINC000892541501 663376711 /nfs/dbraw/zinc/37/67/11/663376711.db2.gz BGLLQQWWPVGYIR-AAEUAGOBSA-N 1 0 381.416 2.549 20 0 GFADRO Cc1ncc(I)c(N2CCC[C@@H]([NH+]3CCCC3)CC2)n1 ZINC000892618809 663378894 /nfs/dbraw/zinc/37/88/94/663378894.db2.gz NOOKHCDBWFEYRX-CYBMUJFWSA-N 1 0 386.281 2.844 20 0 GFADRO O=C(NC[C@H]1CC2(CO1)CC[NH2+]CC2)N1Cc2ccc(Br)cc2C1 ZINC000892765856 663384211 /nfs/dbraw/zinc/38/42/11/663384211.db2.gz HMXZERKYWJESIR-MRXNPFEDSA-N 1 0 394.313 2.633 20 0 GFADRO CCc1nnc(C[NH2+]CCCNC(=O)c2ccc(Br)cc2)s1 ZINC000892816305 663385571 /nfs/dbraw/zinc/38/55/71/663385571.db2.gz RAKOWQUPMIHYAZ-UHFFFAOYSA-N 1 0 383.315 2.773 20 0 GFADRO COc1ccccc1CC(=O)N1CCC([NH2+]C[C@@H]2C[C@]2(C)Br)CC1 ZINC000892846981 663386698 /nfs/dbraw/zinc/38/66/98/663386698.db2.gz LITWFAGQNSLPEY-KXBFYZLASA-N 1 0 395.341 2.992 20 0 GFADRO CC(C)NS(=O)(=O)Cc1ccccc1C[NH2+]Cc1cn2ccnc2s1 ZINC000892922302 663389878 /nfs/dbraw/zinc/38/98/78/663389878.db2.gz JNSVQWZQXXTXIS-UHFFFAOYSA-N 1 0 378.523 2.513 20 0 GFADRO CCOC(=O)c1ncc(C[NH2+]CCOc2cccc(C(F)(F)F)n2)s1 ZINC000893275144 663404888 /nfs/dbraw/zinc/40/48/88/663404888.db2.gz RTUSBIQKLXYBDQ-UHFFFAOYSA-N 1 0 375.372 2.902 20 0 GFADRO COCCS(=O)(=O)c1ccc(CNc2cc[nH+]c(C)c2Br)cc1 ZINC000893485035 663412707 /nfs/dbraw/zinc/41/27/07/663412707.db2.gz RLZYWUQGZPEKMB-UHFFFAOYSA-N 1 0 399.310 2.607 20 0 GFADRO CC[C@H](Cc1ccccc1Br)NC(=O)NCC[NH+]1CCC(O)CC1 ZINC000893654752 663419376 /nfs/dbraw/zinc/41/93/76/663419376.db2.gz JYFZNMYDHUUPNP-OAHLLOKOSA-N 1 0 398.345 2.526 20 0 GFADRO CS(=O)(=O)N1CC(C[NH2+][C@H]2CCCC[C@H]2c2cc(F)c(F)c(F)c2)C1 ZINC000893717466 663422228 /nfs/dbraw/zinc/42/22/28/663422228.db2.gz RCDUDNYKCFQNRI-BBRMVZONSA-N 1 0 376.444 2.611 20 0 GFADRO CC(C)[NH2+][C@H]1CCCN(C(=O)c2cc(Br)cn(C3CC3)c2=O)C1 ZINC000893796575 663425022 /nfs/dbraw/zinc/42/50/22/663425022.db2.gz AHTWYKNXIZBCIQ-ZDUSSCGKSA-N 1 0 382.302 2.548 20 0 GFADRO COc1cc(Br)ccc1[C@H](C)[NH2+][C@@H](C)[C@H]1CCS(=O)(=O)C1 ZINC000893945423 663433049 /nfs/dbraw/zinc/43/30/49/663433049.db2.gz IOVWREHGKYZGDH-SRVKXCTJSA-N 1 0 376.316 2.932 20 0 GFADRO CCOC(=O)c1ncc(Br)c(N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)n1 ZINC000893960194 663433455 /nfs/dbraw/zinc/43/34/55/663433455.db2.gz RGGAXDLUTBUXMQ-GFCCVEGCSA-N 1 0 397.317 2.726 20 0 GFADRO Oc1ccc2c(c1)CC[N@@H+](Cc1sc(N3CCOCC3)nc1Cl)CC2 ZINC000893980132 663435088 /nfs/dbraw/zinc/43/50/88/663435088.db2.gz ILUAYGFDWLPJRV-UHFFFAOYSA-N 1 0 379.913 2.940 20 0 GFADRO Cn1ncc(I)c1C[NH2+]CCc1c[nH]c2ccccc12 ZINC000894145289 663445306 /nfs/dbraw/zinc/44/53/06/663445306.db2.gz KMDJARPTFRYVIK-UHFFFAOYSA-N 1 0 380.233 2.838 20 0 GFADRO C[C@]1(Br)C[C@H]1C[NH2+][C@H](C(N)=O)c1cccc(Br)c1 ZINC000894151948 663445802 /nfs/dbraw/zinc/44/58/02/663445802.db2.gz XAUKDKZEBMNOEP-GAFUQQFSSA-N 1 0 376.092 2.739 20 0 GFADRO OC[C@H](C[NH2+]Cc1cc(Br)ccc1Br)[C@@H]1CCOC1 ZINC000894191365 663447561 /nfs/dbraw/zinc/44/75/61/663447561.db2.gz XSPBPNZIERSEBP-PWSUYJOCSA-N 1 0 393.119 2.946 20 0 GFADRO Cn1nc(Br)nc1C[NH2+][C@H]1CCCN(c2ccccc2Cl)C1 ZINC000894288413 663452591 /nfs/dbraw/zinc/45/25/91/663452591.db2.gz UNAITFHTKGJEEK-NSHDSACASA-N 1 0 384.709 2.990 20 0 GFADRO CC[S@](=O)[C@@H]1CCC[C@H]([NH2+]Cc2sc(N3CCOCC3)nc2Cl)C1 ZINC000894323053 663454427 /nfs/dbraw/zinc/45/44/27/663454427.db2.gz BDHUKHYHZPKCEY-TXNHMLTKSA-N 1 0 391.990 2.803 20 0 GFADRO Cn1nc(Br)nc1C[NH2+][C@H]1CCN(C)[C@H]1c1ccc(Cl)cc1 ZINC000894362676 663457851 /nfs/dbraw/zinc/45/78/51/663457851.db2.gz XVUXMFRYPZXWES-JSGCOSHPSA-N 1 0 384.709 2.766 20 0 GFADRO C[C@](O)(C[NH2+]Cc1sc(N2CCOCC2)nc1Cl)c1ccc(F)cc1 ZINC000894366865 663458047 /nfs/dbraw/zinc/45/80/47/663458047.db2.gz HTQOYRXVKMVMAQ-KRWDZBQOSA-N 1 0 385.892 2.770 20 0 GFADRO Cc1ccccc1C[C@H](CO)[NH2+]Cc1sc(N2CCOCC2)nc1Cl ZINC000894531677 663467307 /nfs/dbraw/zinc/46/73/07/663467307.db2.gz COALVISDBVEQIK-OAHLLOKOSA-N 1 0 381.929 2.635 20 0 GFADRO CCn1cc(C[NH2+]C[C@@H](CO)Cc2ccc(OC)c(Br)c2)c(C)n1 ZINC000894751390 663479679 /nfs/dbraw/zinc/47/96/79/663479679.db2.gz UFQVMTUPZODCBK-HNNXBMFYSA-N 1 0 396.329 2.923 20 0 GFADRO CCc1nnc(NC(=O)[C@H](C)[C@H](C)[NH2+]Cc2csc(C(=O)OC)c2)s1 ZINC000894757891 663480147 /nfs/dbraw/zinc/48/01/47/663480147.db2.gz ZQDMTXRLFFLWDC-ZJUUUORDSA-N 1 0 382.511 2.702 20 0 GFADRO Brc1c[nH+]c(NCc2nccn2C2CC2)cc1N1CCOCC1 ZINC000894788461 663481791 /nfs/dbraw/zinc/48/17/91/663481791.db2.gz QAWOONYZLGJZGH-UHFFFAOYSA-N 1 0 378.274 2.824 20 0 GFADRO CC[C@H](C[NH2+]Cc1nc(Br)c(Br)n1CC)C(=O)OC ZINC000895136424 663500536 /nfs/dbraw/zinc/50/05/36/663500536.db2.gz UZJSGALMHSRBCQ-MRVPVSSYSA-N 1 0 397.111 2.717 20 0 GFADRO C[C@H]([NH2+][C@H]1CCN(C)[C@@H](c2ccc(Br)cc2)C1)C1N=NC(=O)N1C ZINC000895171473 663501682 /nfs/dbraw/zinc/50/16/82/663501682.db2.gz OADMMODIWKFGCD-TUKIKUTGSA-N 1 0 394.317 2.769 20 0 GFADRO CC(C)(C)[NH2+]CCNC(=O)c1cnn(Cc2ccccc2)c1Br ZINC000895272120 663506217 /nfs/dbraw/zinc/50/62/17/663506217.db2.gz OITJQSYJJIDXAM-UHFFFAOYSA-N 1 0 379.302 2.812 20 0 GFADRO CCC(CC)[NH2+]CCNC(=O)NCc1cc(Cl)cc(S(=O)(=O)CC)c1 ZINC000895337851 663508938 /nfs/dbraw/zinc/50/89/38/663508938.db2.gz LMBWXFOTKQNHLY-UHFFFAOYSA-N 1 0 389.949 2.711 20 0 GFADRO Cn1ncc(I)c1C[NH2+]C1([C@H]2CCCCO2)CCC1 ZINC000895467437 663515795 /nfs/dbraw/zinc/51/57/95/663515795.db2.gz NCOWJZNRLGCSFX-CYBMUJFWSA-N 1 0 375.254 2.606 20 0 GFADRO Brc1cnc2c(C[NH2+]C[C@@H]3CCC4(CCOCC4)CO3)cnn2c1 ZINC000895537891 663518197 /nfs/dbraw/zinc/51/81/97/663518197.db2.gz WQQVTPZYKVMBOU-HNNXBMFYSA-N 1 0 395.301 2.557 20 0 GFADRO CCOC(=O)c1sc([C@H]2CC[N@H+](Cc3cc(C(N)=O)cs3)C2)nc1C ZINC000895581419 663519711 /nfs/dbraw/zinc/51/97/11/663519711.db2.gz ADHBSFBLTIQFPN-NSHDSACASA-N 1 0 379.507 2.778 20 0 GFADRO CC1([NH+]2CCC2)CCN(Cc2ncc(I)s2)CC1 ZINC000895670459 663522512 /nfs/dbraw/zinc/52/25/12/663522512.db2.gz JDDKKPNTMOKDJB-UHFFFAOYSA-N 1 0 377.295 2.808 20 0 GFADRO Cn1cc(C(=O)NCc2cccc(C[NH+]3CCCC3)c2)c(Br)n1 ZINC000895677511 663522704 /nfs/dbraw/zinc/52/27/04/663522704.db2.gz MZYRHDZCTOSTPK-UHFFFAOYSA-N 1 0 377.286 2.708 20 0 GFADRO Cc1nc(C)c(-c2csc(NC(=O)C3C[NH+](C4CCOCC4)C3)n2)s1 ZINC000895741985 663525906 /nfs/dbraw/zinc/52/59/06/663525906.db2.gz TXSDVZUBCBVACC-UHFFFAOYSA-N 1 0 378.523 2.933 20 0 GFADRO F[C@@H]1CC2(CC[C@@H]1[NH2+][C@H]1COc3cccc(Br)c3C1)OCCO2 ZINC000895855033 663530377 /nfs/dbraw/zinc/53/03/77/663530377.db2.gz JAZMJICRESPQIT-DFBGVHRSSA-N 1 0 386.261 2.976 20 0 GFADRO Cn1cc(C(=O)NCC2CC[NH+](Cc3cccs3)CC2)c(Br)n1 ZINC000895984200 663535987 /nfs/dbraw/zinc/53/59/87/663535987.db2.gz BKYMVJNMPBLOIR-UHFFFAOYSA-N 1 0 397.342 2.886 20 0 GFADRO CC(=O)Nc1cc(Br)ccc1C[NH2+][C@H]1CC(=O)N(CC2CC2)C1 ZINC000896036457 663538426 /nfs/dbraw/zinc/53/84/26/663538426.db2.gz RFVMKORYKRHYGC-HNNXBMFYSA-N 1 0 380.286 2.508 20 0 GFADRO CCCSC[C@H](C)[NH2+]CC[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O ZINC000896202867 663544811 /nfs/dbraw/zinc/54/48/11/663544811.db2.gz MVZYNWBBZQMJEQ-GJZGRUSLSA-N 1 0 394.603 2.532 20 0 GFADRO O=C(NCCCc1cccc(Br)c1)C1C[NH+](C2CCOCC2)C1 ZINC000896273564 663548312 /nfs/dbraw/zinc/54/83/12/663548312.db2.gz HIWIEOMFBMYWLV-UHFFFAOYSA-N 1 0 381.314 2.609 20 0 GFADRO CCOC(=O)c1nc(NC[C@H]2CC[N@@H+]2C2CCOCC2)ccc1Br ZINC000896526254 663560199 /nfs/dbraw/zinc/56/01/99/663560199.db2.gz VETNGWORCFIXGK-CYBMUJFWSA-N 1 0 398.301 2.686 20 0 GFADRO Cc1cc(C)c(CC(=O)N[C@H](C)[C@H]2C[N@H+](C)CCN2C)c(C)c1Br ZINC000896531303 663561686 /nfs/dbraw/zinc/56/16/86/663561686.db2.gz ZJCULEFDBZWSNQ-NVXWUHKLSA-N 1 0 396.373 2.667 20 0 GFADRO C[C@@H](NC(=O)c1ccc2cc(Br)ccc2c1)[C@@H]1C[N@H+](C)CCN1C ZINC000896552206 663563388 /nfs/dbraw/zinc/56/33/88/663563388.db2.gz JIEPUSOOSLCBIG-ACJLOTCBSA-N 1 0 390.325 2.966 20 0 GFADRO C[C@@H](NC(=O)C1(c2ccc(Br)cc2)CCC1)[C@H]1C[N@H+](C)CCN1C ZINC000896556953 663563408 /nfs/dbraw/zinc/56/34/08/663563408.db2.gz RXBYLOXWFGGFOB-RHSMWYFYSA-N 1 0 394.357 2.621 20 0 GFADRO C[C@@H](NC(=O)c1csc(-c2cccc(Cl)c2)n1)[C@H]1C[N@H+](C)CCN1C ZINC000896576482 663566106 /nfs/dbraw/zinc/56/61/06/663566106.db2.gz HTSFHMZNXRIBMD-MLGOLLRUSA-N 1 0 378.929 2.828 20 0 GFADRO C[C@@H](NC(=O)COc1cc(Cl)c(Cl)cc1Cl)[C@H]1C[N@H+](C)CCN1C ZINC000896582754 663566445 /nfs/dbraw/zinc/56/64/45/663566445.db2.gz UAHSCFZBAPOBRW-QMTHXVAHSA-N 1 0 394.730 2.776 20 0 GFADRO CC(=O)Nc1cc(Br)ccc1C[NH2+]CC(C)(C)CS(C)(=O)=O ZINC000896868014 663579877 /nfs/dbraw/zinc/57/98/77/663579877.db2.gz DQAQUTRUCXQTOI-UHFFFAOYSA-N 1 0 391.331 2.568 20 0 GFADRO CC(C)(C)OC(=O)N[C@]1(CO)CCC[N@H+](C[C@H]2C[C@]2(C)Br)C1 ZINC000896980750 663583788 /nfs/dbraw/zinc/58/37/88/663583788.db2.gz UXJJKTCQJPHGSO-UHOFOFEASA-N 1 0 377.323 2.512 20 0 GFADRO CN(C)Cc1ccc(NC(=O)C2C[NH+](C3CCOCC3)C2)cc1Br ZINC000897516704 663607996 /nfs/dbraw/zinc/60/79/96/663607996.db2.gz KIGFFSJUBCAROB-UHFFFAOYSA-N 1 0 396.329 2.560 20 0 GFADRO CN(C[C@@H](O)c1ccccc1Br)C(=O)NC[C@H]1CCCC[N@H+](C)C1 ZINC000897557539 663610397 /nfs/dbraw/zinc/61/03/97/663610397.db2.gz NZSYUGFWOPMLJD-RHSMWYFYSA-N 1 0 398.345 2.856 20 0 GFADRO CC[NH+]1CCN(CCNC(=O)CCCc2ccc(Br)cc2)CC1 ZINC000897598355 663612968 /nfs/dbraw/zinc/61/29/68/663612968.db2.gz RUUJFIXICZCFSN-UHFFFAOYSA-N 1 0 382.346 2.526 20 0 GFADRO O=S(=O)(CC[NH2+]Cc1ccnc2c(Br)cccc12)N1CCCC1 ZINC000897829694 663621881 /nfs/dbraw/zinc/62/18/81/663621881.db2.gz FPOAPALYTRRCOO-UHFFFAOYSA-N 1 0 398.326 2.513 20 0 GFADRO CCOc1cc(C[NH2+][C@]2(C)CCNC2=O)cc(Br)c1OC(F)F ZINC000897870870 663623165 /nfs/dbraw/zinc/62/31/65/663623165.db2.gz AZXWXUNUPDZPLZ-OAHLLOKOSA-N 1 0 393.228 2.817 20 0 GFADRO COCc1ccc(C[NH2+][C@@H]2Cc3cc(Br)cnc3NC2=O)cc1 ZINC000897977462 663628069 /nfs/dbraw/zinc/62/80/69/663628069.db2.gz HNBHAKJURXHZSC-OAHLLOKOSA-N 1 0 376.254 2.644 20 0 GFADRO C[C@H]1CCC[N@@H+]1CCNC(=O)c1cnn(Cc2ccccc2)c1Br ZINC000898037224 663630914 /nfs/dbraw/zinc/63/09/14/663630914.db2.gz OYHNCJYIHZBAMA-AWEZNQCLSA-N 1 0 391.313 2.908 20 0 GFADRO Cn1nc(Br)cc1C[NH2+][C@@H]1C[C@H]2CC[C@@H]1N2C(=O)OC(C)(C)C ZINC000898073737 663632382 /nfs/dbraw/zinc/63/23/82/663632382.db2.gz GDDVYBMQGULFIZ-RTXFEEFZSA-N 1 0 385.306 2.813 20 0 GFADRO Cc1ccc(Br)cc1C(=O)N1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000898118488 663634507 /nfs/dbraw/zinc/63/45/07/663634507.db2.gz LUHZGGPTJSTKBY-UHFFFAOYSA-N 1 0 381.314 2.724 20 0 GFADRO C[C@H](Cc1ccc(F)cc1Br)[NH2+][C@H]1CCN(c2cc(=O)[nH]cn2)C1 ZINC000898152667 663635890 /nfs/dbraw/zinc/63/58/90/663635890.db2.gz NBAPUPQLTDFXCO-RISCZKNCSA-N 1 0 395.276 2.883 20 0 GFADRO COC(=O)c1[nH]c(C[NH2+][C@@](C)(CO)c2cccc(Br)c2)cc1C ZINC000898168758 663636969 /nfs/dbraw/zinc/63/69/69/663636969.db2.gz PALONERYDKGGKV-KRWDZBQOSA-N 1 0 381.270 2.870 20 0 GFADRO C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+]Cc1cnc2n1CCOC2 ZINC000898267636 663641580 /nfs/dbraw/zinc/64/15/80/663641580.db2.gz NMKLKYMOVGITQG-LBPRGKRZSA-N 1 0 393.285 2.683 20 0 GFADRO CN(c1cccc(C[NH2+]Cc2cncc(Br)c2)c1)S(C)(=O)=O ZINC000898283634 663642265 /nfs/dbraw/zinc/64/22/65/663642265.db2.gz BMSRNULREJRGEQ-UHFFFAOYSA-N 1 0 384.299 2.530 20 0 GFADRO O=c1[nH]ncc(N2CC[C@@H]([NH2+]Cc3cccc(Br)c3)C2)c1Cl ZINC000898362819 663644318 /nfs/dbraw/zinc/64/43/18/663644318.db2.gz MIWRMOGUIQIRNL-GFCCVEGCSA-N 1 0 383.677 2.967 20 0 GFADRO O=C(NC1CC[NH+](C2CCOCC2)CC1)c1cc(Br)ccc1F ZINC000898625616 663658361 /nfs/dbraw/zinc/65/83/61/663658361.db2.gz IKRLPKPRWAEBKJ-UHFFFAOYSA-N 1 0 385.277 2.961 20 0 GFADRO COC(=O)/C=C\c1ccc(C[NH2+][C@H]2CCc3ncc(Br)n3C2)o1 ZINC000898719079 663659934 /nfs/dbraw/zinc/65/99/34/663659934.db2.gz AOCHNGVJFXSAAC-XOIDGJRKSA-N 1 0 380.242 2.529 20 0 GFADRO COC(=O)c1ccc(C[NH2+][C@@H]2CCc3ncc(Br)n3C2)cc1F ZINC000898720221 663660273 /nfs/dbraw/zinc/66/02/73/663660273.db2.gz KLBXMLXEJOPLPK-LLVKDONJSA-N 1 0 382.233 2.676 20 0 GFADRO Brc1cnc2n1C[C@H]([NH2+][C@H](c1nnc[nH]1)C1CCCCC1)CC2 ZINC000898720243 663660333 /nfs/dbraw/zinc/66/03/33/663660333.db2.gz KSWIFLBASWSZNJ-DOMZBBRYSA-N 1 0 379.306 2.990 20 0 GFADRO Brc1cnc2n1C[C@@H]([NH2+]C1CCN(Cc3ccncc3)CC1)CC2 ZINC000898724633 663661411 /nfs/dbraw/zinc/66/14/11/663661411.db2.gz PBBKYUDAHFQHFN-INIZCTEOSA-N 1 0 390.329 2.610 20 0 GFADRO Brc1cnc2n1C[C@@H]([NH2+]C1CCN(c3ccccn3)CC1)CC2 ZINC000898725228 663661515 /nfs/dbraw/zinc/66/15/15/663661515.db2.gz RYOWQRLQZSCNQU-AWEZNQCLSA-N 1 0 376.302 2.614 20 0 GFADRO O=C(CN1CSCCSC1)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000900440745 663714610 /nfs/dbraw/zinc/71/46/10/663714610.db2.gz VKGMPQNULKWMGJ-OAHLLOKOSA-N 1 0 385.624 2.773 20 0 GFADRO CCn1c(Br)ncc1C(=O)N(C)Cc1ccc(C[NH+](C)C)cc1 ZINC000900477451 663715265 /nfs/dbraw/zinc/71/52/65/663715265.db2.gz YJSVEKDVJUYERR-UHFFFAOYSA-N 1 0 379.302 2.999 20 0 GFADRO O=C(c1cc2ncc(Br)cn2n1)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000900539113 663716570 /nfs/dbraw/zinc/71/65/70/663716570.db2.gz BKMIBBGVYOHSNA-CQSZACIVSA-N 1 0 392.301 2.582 20 0 GFADRO O=C(/C=C\c1ccc(I)o1)NC1CC[NH+](C2CC2)CC1 ZINC000900704704 663720040 /nfs/dbraw/zinc/72/00/40/663720040.db2.gz RNJQZWAGTKZESI-XQRVVYSFSA-N 1 0 386.233 2.640 20 0 GFADRO O=C(Nc1cc(Br)ccc1NC1CC1)C1C[NH+]([C@H]2CCOC2)C1 ZINC000900912188 663723700 /nfs/dbraw/zinc/72/37/00/663723700.db2.gz JZQVVPANTKVXLM-AWEZNQCLSA-N 1 0 380.286 2.683 20 0 GFADRO CC(C)[NH+]1CCN(CCC(=O)NC[C@H](O)c2c(Cl)cccc2Cl)CC1 ZINC000901076651 663730091 /nfs/dbraw/zinc/73/00/91/663730091.db2.gz OHELLXJYDBCAFQ-INIZCTEOSA-N 1 0 388.339 2.559 20 0 GFADRO COc1ccccc1NC(=O)[C@@H](C)[NH2+][C@@H]1CCc2ncc(Br)n2C1 ZINC000901726765 663743549 /nfs/dbraw/zinc/74/35/49/663743549.db2.gz ARMSPZNMBSJBHW-VXGBXAGGSA-N 1 0 393.285 2.586 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCc2ncc(Br)n2C1)C(=O)Nc1cc(F)ccc1F ZINC000901727216 663743710 /nfs/dbraw/zinc/74/37/10/663743710.db2.gz DWHOMPXRXNEFNV-GXSJLCMTSA-N 1 0 399.239 2.855 20 0 GFADRO CCCn1cc([C@@H](C)[NH2+]CCCNC(=O)c2cccc(Br)c2)nn1 ZINC000902784053 663767502 /nfs/dbraw/zinc/76/75/02/663767502.db2.gz MTOZWJWCWLIOLK-CYBMUJFWSA-N 1 0 394.317 2.921 20 0 GFADRO C[C@H]([NH2+]CCNS(=O)(=O)Cc1ccon1)c1ccc(C(F)(F)F)s1 ZINC000902831926 663768034 /nfs/dbraw/zinc/76/80/34/663768034.db2.gz HCKNWNSUHQRTSM-VIFPVBQESA-N 1 0 383.417 2.525 20 0 GFADRO C[C@H]([NH2+]CCn1cc(Br)ccc1=O)[C@H]1COc2ccccc2C1 ZINC000903003619 663770686 /nfs/dbraw/zinc/77/06/86/663770686.db2.gz XCXAPXZSWIFMMJ-DZGCQCFKSA-N 1 0 377.282 2.840 20 0 GFADRO C[C@H](CN1CCCC1=O)[NH2+][C@@H](C)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000903075610 663772429 /nfs/dbraw/zinc/77/24/29/663772429.db2.gz ALJGEOXLVNPODH-NEPJUHHUSA-N 1 0 378.416 2.642 20 0 GFADRO Cc1noc(CCC[NH2+][C@H](C)c2cccc(S(=O)(=O)C(F)(F)F)c2)n1 ZINC000903117942 663774363 /nfs/dbraw/zinc/77/43/63/663774363.db2.gz TVINHSSCRXGAAZ-SNVBAGLBSA-N 1 0 377.388 2.955 20 0 GFADRO C[C@@H]([NH2+]CCN(C)S(=O)(=O)c1cccs1)c1cnn(CC2CCC2)c1 ZINC000903127339 663775132 /nfs/dbraw/zinc/77/51/32/663775132.db2.gz XYDSLNDSZPDJGP-CQSZACIVSA-N 1 0 382.555 2.716 20 0 GFADRO C[C@@H]([NH2+]C[C@@](C)(O)C(F)(F)F)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000903130683 663775195 /nfs/dbraw/zinc/77/51/95/663775195.db2.gz NRPJFIVLIWEMEY-LDYMZIIASA-N 1 0 379.322 2.944 20 0 GFADRO C[C@@H](C[C@H](C)[NH2+]CC1CCC(S(C)(=O)=O)CC1)NC(=O)OC(C)(C)C ZINC000903154317 663776321 /nfs/dbraw/zinc/77/63/21/663776321.db2.gz LAISXKYSOMCHBN-FXQLRMTLSA-N 1 0 376.563 2.871 20 0 GFADRO COC(=O)CC(C)(C)C[C@@H](C)[NH2+]CC1(S(=O)(=O)NC(C)(C)C)CCC1 ZINC000903189218 663777621 /nfs/dbraw/zinc/77/76/21/663777621.db2.gz SSQWVAQIWFUDCA-CQSZACIVSA-N 1 0 376.563 2.585 20 0 GFADRO C[C@@H](NCc1cn(C)nc1Br)c1cccc(OCC[NH+](C)C)c1 ZINC000903189164 663777634 /nfs/dbraw/zinc/77/76/34/663777634.db2.gz QYTGMDOFMXRCOQ-CYBMUJFWSA-N 1 0 381.318 2.974 20 0 GFADRO O=S(=O)(c1cc(F)c(Br)cc1F)N1CCC([NH+]2CCC2)CC1 ZINC000903203569 663778441 /nfs/dbraw/zinc/77/84/41/663778441.db2.gz BYFPBWFMHGJAFF-UHFFFAOYSA-N 1 0 395.269 2.586 20 0 GFADRO C[C@@H]([NH2+]CC[C@@H]1CCCS1(=O)=O)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000903222087 663778963 /nfs/dbraw/zinc/77/89/63/663778963.db2.gz XXZWBXOPKNOHMM-YPMHNXCESA-N 1 0 399.456 2.598 20 0 GFADRO C[C@H]([NH2+]C[C@H]1CCCC[C@H]1NS(C)(=O)=O)c1ccc(C(F)(F)F)cn1 ZINC000903232333 663779836 /nfs/dbraw/zinc/77/98/36/663779836.db2.gz WACKTHABKBEONJ-YWPYICTPSA-N 1 0 379.448 2.859 20 0 GFADRO C[C@H]([NH2+]C[C@@H]1CCCC[C@@H]1NS(C)(=O)=O)c1cccc(Br)n1 ZINC000903234887 663780195 /nfs/dbraw/zinc/78/01/95/663780195.db2.gz QVSRPVKPAYJMDV-OBJOEFQTSA-N 1 0 390.347 2.603 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCCN2CCSC[C@@H]12)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000903270276 663780876 /nfs/dbraw/zinc/78/08/76/663780876.db2.gz CKTSTJCOFXLYFJ-MAZHCROVSA-N 1 0 390.521 2.913 20 0 GFADRO CCOC(=O)C(F)(F)[C@H]1CC[C@H]([NH2+]Cc2ncc(Br)cn2)C1 ZINC000903320472 663781470 /nfs/dbraw/zinc/78/14/70/663781470.db2.gz IYNGQYPXKFEIMM-ONGXEEELSA-N 1 0 378.217 2.696 20 0 GFADRO O=C1Nc2ncc(Br)cc2C[C@H]1[NH2+][C@H]1CCN(c2ccccc2)C1 ZINC000903323619 663781799 /nfs/dbraw/zinc/78/17/99/663781799.db2.gz FQQXUSVHJZMCKR-GOEBONIOSA-N 1 0 387.281 2.576 20 0 GFADRO CO[C@@]1(C[NH2+][C@H](C)c2ccc(Br)cc2C)CCS(=O)(=O)C1 ZINC000903363427 663782685 /nfs/dbraw/zinc/78/26/85/663782685.db2.gz OJOFFUZCZPGDCN-IUODEOHRSA-N 1 0 376.316 2.612 20 0 GFADRO CO[C@]1(C[NH2+][C@@H]2C[C@@H](C)c3c2cccc3Br)CCS(=O)(=O)C1 ZINC000903367005 663783046 /nfs/dbraw/zinc/78/30/46/663783046.db2.gz GFTNRPQAMQVNNH-XFJVYGCCSA-N 1 0 388.327 2.791 20 0 GFADRO CO[C@@]1(C[NH2+][C@H](C)c2sc(-c3ccccc3)nc2C)CCS(=O)(=O)C1 ZINC000903369450 663783203 /nfs/dbraw/zinc/78/32/03/663783203.db2.gz XNFIHBODVDMGKA-FZKQIMNGSA-N 1 0 380.535 2.973 20 0 GFADRO COc1cc([C@@H](C)[NH2+]C[C@]2(OC)CCS(=O)(=O)C2)ccc1SC(F)F ZINC000903367417 663783239 /nfs/dbraw/zinc/78/32/39/663783239.db2.gz ISHBSCZYUQMMPB-BDJLRTHQSA-N 1 0 395.493 2.864 20 0 GFADRO CO[C@]1(C[NH2+][C@H](C)c2ccc(SCC(F)F)cc2)CCS(=O)(=O)C1 ZINC000903369482 663783277 /nfs/dbraw/zinc/78/32/77/663783277.db2.gz XWNAZYCESBGLKC-WBMJQRKESA-N 1 0 379.494 2.898 20 0 GFADRO C[C@@H]([NH2+][C@@H]1CCc2ncc(Br)n2C1)c1ccccc1-n1ccnn1 ZINC000903477799 663785253 /nfs/dbraw/zinc/78/52/53/663785253.db2.gz COBZIXDGNXHAFT-CHWSQXEVSA-N 1 0 387.285 2.892 20 0 GFADRO [NH3+][C@H]1CCCO[C@H]1C1CCN(S(=O)(=O)c2cc3ccccc3s2)CC1 ZINC000903503834 663785842 /nfs/dbraw/zinc/78/58/42/663785842.db2.gz LNTSFODRMJWMMX-YJBOKZPZSA-N 1 0 380.535 2.808 20 0 GFADRO [NH3+]C[C@H]1CCCN(S(=O)(=O)Cc2cccc(Cl)c2Br)C1 ZINC000903511376 663786052 /nfs/dbraw/zinc/78/60/52/663786052.db2.gz RCBQLILQQKHHLE-SNVBAGLBSA-N 1 0 381.723 2.603 20 0 GFADRO C[C@H](NS(=O)(=O)Cc1cccc(Cl)c1Br)[C@@H]1CCC[NH2+]C1 ZINC000903513223 663786293 /nfs/dbraw/zinc/78/62/93/663786293.db2.gz YQSCRACMKJZFJR-WDEREUQCSA-N 1 0 395.750 2.910 20 0 GFADRO CCCN(C1CC[NH2+]CC1)S(=O)(=O)Cc1cccc(F)c1Br ZINC000903513668 663786403 /nfs/dbraw/zinc/78/64/03/663786403.db2.gz RWSYHJLVPFSSRN-UHFFFAOYSA-N 1 0 393.322 2.882 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CCN(S(=O)(=O)Cc2cccc(Cl)c2Br)C1 ZINC000903518108 663786749 /nfs/dbraw/zinc/78/67/49/663786749.db2.gz MMWSDUZPBABMIV-NXEZZACHSA-N 1 0 381.723 2.601 20 0 GFADRO [NH3+]C[C@@H]1CC[C@@H](NS(=O)(=O)Cc2cccc(Cl)c2Br)C1 ZINC000903522628 663787116 /nfs/dbraw/zinc/78/71/16/663787116.db2.gz UUOGOINJTBYMTA-MWLCHTKSSA-N 1 0 381.723 2.649 20 0 GFADRO CC[C@@H]1c2ccsc2CCN1C(=O)CN1CC[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903534361 663787638 /nfs/dbraw/zinc/78/76/38/663787638.db2.gz LGPGFUMZGJRNDZ-MGPQQGTHSA-N 1 0 375.460 2.795 20 0 GFADRO O=S(=O)(/C=C\c1ccccc1Br)NC1(C2CC[NH2+]CC2)CC1 ZINC000903556679 663788600 /nfs/dbraw/zinc/78/86/00/663788600.db2.gz FNISZNSARNMJRD-GHXNOFRVSA-N 1 0 385.327 2.871 20 0 GFADRO C[NH2+]C[C@@H]1CCCCN1S(=O)(=O)c1cc(C(=O)OC)c(Cl)cc1Cl ZINC000903577500 663789775 /nfs/dbraw/zinc/78/97/75/663789775.db2.gz NUEKBYWXDOVFLV-JTQLQIEISA-N 1 0 395.308 2.543 20 0 GFADRO [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(S(=O)(=O)c1ccc(Br)c(Cl)c1)C2 ZINC000903578939 663790061 /nfs/dbraw/zinc/79/00/61/663790061.db2.gz GZLZZRJZWYTCLO-AEJSXWLSSA-N 1 0 379.707 2.603 20 0 GFADRO [NH3+][C@@H]1CN(S(=O)(=O)c2csnc2-c2ccccc2)CC[C@@H]1C(F)(F)F ZINC000903581600 663790385 /nfs/dbraw/zinc/79/03/85/663790385.db2.gz NFLUWVFNOHQMPS-NWDGAFQWSA-N 1 0 391.440 2.710 20 0 GFADRO [NH3+]C[C@@]12CC[C@@H]1CCN2S(=O)(=O)c1cccc(Cl)c1Br ZINC000903590745 663790841 /nfs/dbraw/zinc/79/08/41/663790841.db2.gz ZFKJGNBCELCZDN-RNCFNFMXSA-N 1 0 379.707 2.604 20 0 GFADRO Brc1cccc([C@@H]2CN(C[C@H]3C[C@@]4(CC[NH2+]C4)CO3)CCO2)c1 ZINC000903726478 663805034 /nfs/dbraw/zinc/80/50/34/663805034.db2.gz MBKZOKSMPVUGEU-FGTMMUONSA-N 1 0 381.314 2.591 20 0 GFADRO Brc1cccc([C@@H]2CN(C[C@H]3C[C@]4(CC[NH2+]C4)CO3)CCO2)c1 ZINC000903726480 663805146 /nfs/dbraw/zinc/80/51/46/663805146.db2.gz MBKZOKSMPVUGEU-SQNIBIBYSA-N 1 0 381.314 2.591 20 0 GFADRO FC1(F)CC[NH2+]C[C@@H]1CNCc1cn(-c2cccc(Cl)c2Cl)nn1 ZINC000903957717 663813625 /nfs/dbraw/zinc/81/36/25/663813625.db2.gz SXOQNIDQNXLBBN-SNVBAGLBSA-N 1 0 376.238 2.909 20 0 GFADRO Cc1cc(Br)cn2c(CN[C@@H]3C[NH2+]CC4(CCOCC4)C3)cnc12 ZINC000903974030 663814276 /nfs/dbraw/zinc/81/42/76/663814276.db2.gz SQVKTCNXQMQDSI-HNNXBMFYSA-N 1 0 393.329 2.654 20 0 GFADRO C[NH2+]CCCCc1nc(CS(=O)(=O)c2cc(Cl)ccc2Cl)no1 ZINC000904100294 663824010 /nfs/dbraw/zinc/82/40/10/663824010.db2.gz AAXUETSNHHBOHS-UHFFFAOYSA-N 1 0 378.281 2.892 20 0 GFADRO Fc1cccc(Cc2noc([C@@H]3[C@@H]4CC[NH2+]C[C@@H]43)n2)c1I ZINC000904104213 663824544 /nfs/dbraw/zinc/82/45/44/663824544.db2.gz NXLLNFLZXTUJHS-GBIKHYSHSA-N 1 0 399.207 2.727 20 0 GFADRO [NH3+]CCCn1ccc(-c2nc(Cc3cc(F)cc(Br)c3)no2)n1 ZINC000904119786 663825341 /nfs/dbraw/zinc/82/53/41/663825341.db2.gz XXSROYRMXWTLCT-UHFFFAOYSA-N 1 0 380.221 2.774 20 0 GFADRO COC[C@@H]1C[NH2+]CCN1C(=O)Nc1cc(Cl)ccc1OCC(F)(F)F ZINC000904285779 663830124 /nfs/dbraw/zinc/83/01/24/663830124.db2.gz FOAFBWJZXVBXLZ-NSHDSACASA-N 1 0 381.782 2.733 20 0 GFADRO COc1cc(Br)c(NC(=O)N[C@]23CCC[C@H]2C[NH2+]C3)cc1OC ZINC000904309323 663830497 /nfs/dbraw/zinc/83/04/97/663830497.db2.gz HKXPUUYMRWFPEV-QFYYESIMSA-N 1 0 384.274 2.730 20 0 GFADRO CCOc1ccc(Br)cc1NC(=O)N1CC[NH2+]C[C@@H]1CCOC ZINC000904332472 663830752 /nfs/dbraw/zinc/83/07/52/663830752.db2.gz PFZOWEKNFOZYOL-ZDUSSCGKSA-N 1 0 386.290 2.690 20 0 GFADRO COc1cc(NC(=O)N2CCC[C@]23CC[NH2+]C3)cc(OC)c1Br ZINC000904405290 663832793 /nfs/dbraw/zinc/83/27/93/663832793.db2.gz KEMGLUWPPYVRMO-MRXNPFEDSA-N 1 0 384.274 2.826 20 0 GFADRO COCC[C@H]1C[NH2+]CCN1C(=O)Nc1nnc(-c2cccc(Cl)c2)s1 ZINC000904421637 663833654 /nfs/dbraw/zinc/83/36/54/663833654.db2.gz MCJPQDRSDNQHRT-ZDUSSCGKSA-N 1 0 381.889 2.701 20 0 GFADRO O=C(Nc1ccc2nccnc2c1Br)N[C@]12CCC[C@H]1C[NH2+]C2 ZINC000904472148 663835423 /nfs/dbraw/zinc/83/54/23/663835423.db2.gz IEQOGDGNALFISW-QFYYESIMSA-N 1 0 376.258 2.656 20 0 GFADRO COCCOc1ccc(NC(=O)N[C@H]2CC[C@H](C)[NH2+]C2)cc1Br ZINC000904548107 663837234 /nfs/dbraw/zinc/83/72/34/663837234.db2.gz IRZVCIWFDPNIOH-AAEUAGOBSA-N 1 0 386.290 2.736 20 0 GFADRO COCCOc1ccc(NC(=O)N[C@@H]2CCC[NH2+]CC2)cc1Br ZINC000904550388 663837757 /nfs/dbraw/zinc/83/77/57/663837757.db2.gz FBBYLXVBIROWNK-GFCCVEGCSA-N 1 0 386.290 2.738 20 0 GFADRO COCCOc1ccc(NC(=O)NC[C@@H]2CCC[NH2+]C2)cc1Br ZINC000904551467 663837910 /nfs/dbraw/zinc/83/79/10/663837910.db2.gz LXCCOADQUJMRMJ-GFCCVEGCSA-N 1 0 386.290 2.595 20 0 GFADRO C[NH+](C)Cc1ccc(-c2noc(Cn3ccc(Br)cc3=O)n2)cc1 ZINC000904626628 663838986 /nfs/dbraw/zinc/83/89/86/663838986.db2.gz ZUIRFNOYXATCIY-UHFFFAOYSA-N 1 0 389.253 2.771 20 0 GFADRO O=S(=O)(Cc1noc([C@]23CC[NH2+][C@H]2CCCC3)n1)c1ccc(Cl)cc1 ZINC000904652426 663839194 /nfs/dbraw/zinc/83/91/94/663839194.db2.gz BJJKZDOFYQSSAY-WMLDXEAASA-N 1 0 381.885 2.871 20 0 GFADRO C[C@@H]1C[NH2+]C[C@H]1Cc1nc(Cc2cc(Br)c3c(c2)OCCO3)no1 ZINC000904666758 663839749 /nfs/dbraw/zinc/83/97/49/663839749.db2.gz UEXYNXHFXAHMHG-ZYHUDNBSSA-N 1 0 394.269 2.592 20 0 GFADRO COc1ccc(Cc2noc(C[C@@H]3C[NH2+]C[C@H]3C)n2)c(Br)c1OC ZINC000904665653 663839785 /nfs/dbraw/zinc/83/97/85/663839785.db2.gz LMCGAMPBJLAWIE-ZYHUDNBSSA-N 1 0 396.285 2.838 20 0 GFADRO O=C(NCc1noc(C23CCC(CC2)[NH2+]3)n1)c1ccc(Br)cc1 ZINC000904714074 663842117 /nfs/dbraw/zinc/84/21/17/663842117.db2.gz RJUVPFSTYBKJFW-UHFFFAOYSA-N 1 0 377.242 2.503 20 0 GFADRO CCOC(=O)C1CCC(O)(C[C@H](O)C[NH2+]CCc2ccc(Cl)s2)CC1 ZINC000905051283 663850753 /nfs/dbraw/zinc/85/07/53/663850753.db2.gz ULUZSFJMVUEBRR-FVRSWCFKSA-N 1 0 389.945 2.769 20 0 GFADRO O=C1[C@@H]([NH2+]C[C@@H](O)CCC2(O)CCC2)CCN1c1ccc(Cl)c(Cl)c1 ZINC000905202886 663858044 /nfs/dbraw/zinc/85/80/44/663858044.db2.gz ORRQVDJHLXYSMI-BBRMVZONSA-N 1 0 387.307 2.744 20 0 GFADRO OCC1(C[C@H](O)C[NH2+][C@H]2CCN(c3cccc(Br)c3)C2)CCCC1 ZINC000905237353 663861653 /nfs/dbraw/zinc/86/16/53/663861653.db2.gz JJAZQLOJDCXHHG-WMZOPIPTSA-N 1 0 397.357 2.921 20 0 GFADRO Cn1ccnc1[C@H]1C[C@@H]([NH2+]C[C@H](O)c2ccc(Br)cc2)CCO1 ZINC000905278587 663863685 /nfs/dbraw/zinc/86/36/85/663863685.db2.gz GENFXDXGHOGLCA-HRCADAONSA-N 1 0 380.286 2.726 20 0 GFADRO O=C(Nc1ccc(Br)cc1F)N[C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000905287663 663863805 /nfs/dbraw/zinc/86/38/05/663863805.db2.gz FDJAMNNWVQBXMV-LBPRGKRZSA-N 1 0 386.265 2.868 20 0 GFADRO Cn1nccc1[C@H]1C[C@@H]([NH2+]C[C@H](O)c2ccc(Br)cc2)CCO1 ZINC000905281421 663863814 /nfs/dbraw/zinc/86/38/14/663863814.db2.gz UWIAFZVHUPHRKX-BHYGNILZSA-N 1 0 380.286 2.726 20 0 GFADRO CC(C)n1cc(Br)c(C(=O)N2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000905359983 663867603 /nfs/dbraw/zinc/86/76/03/663867603.db2.gz PZCSODQCXPWBSC-UHFFFAOYSA-N 1 0 378.274 2.584 20 0 GFADRO O=S(=O)(CC[NH2+]C[C@H]1CCC2(CCC2)O1)c1cccc(Br)c1 ZINC000905442040 663871724 /nfs/dbraw/zinc/87/17/24/663871724.db2.gz PTLOIHDNQQNGNH-CQSZACIVSA-N 1 0 388.327 2.914 20 0 GFADRO O[C@H](C[NH2+]C1CCC2(COC2)CC1)COc1cc(F)cc(Br)c1 ZINC000905451081 663872355 /nfs/dbraw/zinc/87/23/55/663872355.db2.gz DFELUOCLGPMWPZ-OAHLLOKOSA-N 1 0 388.277 2.877 20 0 GFADRO O[C@H](C[NH2+]Cc1ccn(-c2ccc(Br)cc2)n1)CC1(O)CCCC1 ZINC000905479147 663873111 /nfs/dbraw/zinc/87/31/11/663873111.db2.gz RDBQYXOTLZPJPD-KRWDZBQOSA-N 1 0 394.313 2.781 20 0 GFADRO O[C@@H](C[NH2+]Cc1ccn(-c2ccc(Br)cc2)n1)CC1(O)CCCC1 ZINC000905479148 663873473 /nfs/dbraw/zinc/87/34/73/663873473.db2.gz RDBQYXOTLZPJPD-QGZVFWFLSA-N 1 0 394.313 2.781 20 0 GFADRO CS(=O)(=O)C1CCC(C[NH2+]C[C@H](O)c2ccc(Br)cc2)CC1 ZINC000905508176 663874646 /nfs/dbraw/zinc/87/46/46/663874646.db2.gz GYTFHEOAAIBZFJ-MOQPWLNLSA-N 1 0 390.343 2.676 20 0 GFADRO CN(C)S(=O)(=O)Cc1ccc(C[NH2+]C[C@@H](O)c2cccc(Cl)c2)cc1 ZINC000905521959 663875972 /nfs/dbraw/zinc/87/59/72/663875972.db2.gz UZRIBOVMMNVIOY-GOSISDBHSA-N 1 0 382.913 2.555 20 0 GFADRO C[C@](O)(C[NH2+]CCO[C@H]1CCOC1)c1ccc(Br)cc1Cl ZINC000905608537 663881025 /nfs/dbraw/zinc/88/10/25/663881025.db2.gz IXVPRGSXUVVKGK-WFASDCNBSA-N 1 0 378.694 2.705 20 0 GFADRO Cc1nc(-c2ccc(Br)cc2)nn1C[N@@H+]1CC[C@H](C2OCCO2)C1 ZINC000905696796 663887186 /nfs/dbraw/zinc/88/71/86/663887186.db2.gz RONANIRWSRZBTR-AWEZNQCLSA-N 1 0 393.285 2.668 20 0 GFADRO C[N@H+](Cc1cn(Cc2cn3cc(Br)ccc3n2)nn1)C(C)(C)C ZINC000905792515 663892571 /nfs/dbraw/zinc/89/25/71/663892571.db2.gz FRKFNHXGZSPTOR-UHFFFAOYSA-N 1 0 377.290 2.967 20 0 GFADRO CC(C)[NH2+]Cc1cn(Cc2cc3c(cc2Br)OCCCO3)nn1 ZINC000905808203 663893292 /nfs/dbraw/zinc/89/32/92/663893292.db2.gz PWYIGLLOGZDNIR-UHFFFAOYSA-N 1 0 381.274 2.748 20 0 GFADRO C[N@@H+]1CCCN(c2ccc(NC(=O)C[C@@H](O)C(Cl)(Cl)Cl)cc2)CC1 ZINC000906249012 663933907 /nfs/dbraw/zinc/93/39/07/663933907.db2.gz UGIFJEUEZLQKLX-CQSZACIVSA-N 1 0 394.730 2.888 20 0 GFADRO CC[NH+](CC)CCC[C@H](C)NC(=O)c1nscc1I ZINC000906357945 663941464 /nfs/dbraw/zinc/94/14/64/663941464.db2.gz FBCVMCLIUQCFIR-JTQLQIEISA-N 1 0 395.310 2.988 20 0 GFADRO O=C(c1cc(Br)cn(C2CC2)c1=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000906461929 663950376 /nfs/dbraw/zinc/95/03/76/663950376.db2.gz ZTLPTKJOEXOOMN-OAHLLOKOSA-N 1 0 394.313 2.646 20 0 GFADRO CCC[NH+]1CCC(CNC(=O)c2cc(Br)cn(C3CC3)c2=O)CC1 ZINC000906476801 663951521 /nfs/dbraw/zinc/95/15/21/663951521.db2.gz XHEJEOHSIGUBIC-UHFFFAOYSA-N 1 0 396.329 2.798 20 0 GFADRO C[NH+](C)CCCOc1ccc(CNC(=O)C[C@@H](O)C(Cl)(Cl)Cl)cc1 ZINC000906560876 663958381 /nfs/dbraw/zinc/95/83/81/663958381.db2.gz PBVCOYHBTTYEDT-CQSZACIVSA-N 1 0 397.730 2.755 20 0 GFADRO CC[NH+]1CCN([C@H](C)CNC(=O)Cc2sc(C)cc2Br)CC1 ZINC000906671667 663964068 /nfs/dbraw/zinc/96/40/68/663964068.db2.gz GZQNXZHFOURKRC-GFCCVEGCSA-N 1 0 388.375 2.504 20 0 GFADRO CC1(C)C[NH2+]C[C@@H]1NC(=O)C(=O)Nc1ccc(-c2ccc(Cl)s2)nc1 ZINC000906700327 663965926 /nfs/dbraw/zinc/96/59/26/663965926.db2.gz HZQOCEVWMOLMHS-ZDUSSCGKSA-N 1 0 378.885 2.516 20 0 GFADRO O=C(Nc1cccc(Cl)c1SCC(F)F)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000906724454 663967092 /nfs/dbraw/zinc/96/70/92/663967092.db2.gz FXHGSJSGUCWREX-UBHAPETDSA-N 1 0 389.855 2.645 20 0 GFADRO O=C(N1CC[C@H](C[NH+]2CCCC2)C1)C(F)(F)c1ncccc1Br ZINC000906775875 663969889 /nfs/dbraw/zinc/96/98/89/663969889.db2.gz VRDQTWAPEVMHET-GFCCVEGCSA-N 1 0 388.256 2.880 20 0 GFADRO CN(C1CC[NH+](C)CC1)S(=O)(=O)c1c[nH]c2c1cccc2Br ZINC000906787399 663970841 /nfs/dbraw/zinc/97/08/41/663970841.db2.gz XDHUOQUUDKIKRP-UHFFFAOYSA-N 1 0 386.315 2.645 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2nscc2I)[C@@H](C)C1 ZINC000906789063 663971103 /nfs/dbraw/zinc/97/11/03/663971103.db2.gz FLISQJAZPIOADM-ONGXEEELSA-N 1 0 393.294 2.550 20 0 GFADRO O=S(=O)(/C=C\c1cccc(Cl)c1)NC1CC[NH+](C2CCOCC2)CC1 ZINC000907328897 664023825 /nfs/dbraw/zinc/02/38/25/664023825.db2.gz JCGYWCFZKPRHSW-JYRVWZFOSA-N 1 0 384.929 2.874 20 0 GFADRO O=S(=O)(NC1CC[NH+](C2CCOCC2)CC1)c1c(Cl)cccc1Cl ZINC000907329095 664023960 /nfs/dbraw/zinc/02/39/60/664023960.db2.gz GABBRJVYIHVYFL-UHFFFAOYSA-N 1 0 393.336 2.915 20 0 GFADRO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)S(=O)(=O)c3cnc(C)s3)C2)s1 ZINC000907343375 664025940 /nfs/dbraw/zinc/02/59/40/664025940.db2.gz CEGUHVXQXDGXIV-AWEZNQCLSA-N 1 0 385.580 2.964 20 0 GFADRO Cc1cc(S(=O)(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccc(C)s3)C2)sn1 ZINC000907348194 664027165 /nfs/dbraw/zinc/02/71/65/664027165.db2.gz ZTXSUXSIHDPZPM-AWEZNQCLSA-N 1 0 385.580 2.964 20 0 GFADRO CCC1([NH+]2CCC2)CCN(S(=O)(=O)c2c[nH]c3ncc(Cl)cc23)CC1 ZINC000907404185 664031988 /nfs/dbraw/zinc/03/19/88/664031988.db2.gz KXCSDHSVCRBKOZ-UHFFFAOYSA-N 1 0 382.917 2.855 20 0 GFADRO CC(C)(CNC(=O)c1cc(Br)cn(C2CC2)c1=O)C[NH+]1CCCC1 ZINC000907709320 664054993 /nfs/dbraw/zinc/05/49/93/664054993.db2.gz MTEMLEWGQGWNBM-UHFFFAOYSA-N 1 0 396.329 2.798 20 0 GFADRO C[NH+]1CCC2(CCN2S(=O)(=O)Cc2ccc(F)cc2Br)CC1 ZINC000907854275 664065841 /nfs/dbraw/zinc/06/58/41/664065841.db2.gz WLPGNEOAQFJVIN-UHFFFAOYSA-N 1 0 391.306 2.588 20 0 GFADRO C[C@]12CCN(C(=O)C3CCC([NH+]4CCOCC4)CC3)C[C@H]1C2(Cl)Cl ZINC000908070612 664081059 /nfs/dbraw/zinc/08/10/59/664081059.db2.gz DRWZPGPNXNEBKF-BOXZVXIZSA-N 1 0 375.340 2.920 20 0 GFADRO CC(C)[NH2+]C1(CO)CCN(C(=O)COc2cc(Cl)ccc2Cl)CC1 ZINC000908589721 664115680 /nfs/dbraw/zinc/11/56/80/664115680.db2.gz MPXWMKYMIVZKCA-UHFFFAOYSA-N 1 0 375.296 2.724 20 0 GFADRO CC(C)[NH2+]C1(CO)CCN(C(=O)COc2c(Cl)cccc2Cl)CC1 ZINC000908585248 664115716 /nfs/dbraw/zinc/11/57/16/664115716.db2.gz GKZZDEBMBHBHQZ-UHFFFAOYSA-N 1 0 375.296 2.724 20 0 GFADRO CC(C)[NH2+]C1(CO)CCN(C(=O)[C@@H](C)Oc2ccccc2Br)CC1 ZINC000908599373 664116664 /nfs/dbraw/zinc/11/66/64/664116664.db2.gz TZZKHNNRKGSMIH-CQSZACIVSA-N 1 0 399.329 2.568 20 0 GFADRO Cc1c(Br)ccc(C(=O)N2CCC(CO)([NH2+]C(C)C)CC2)c1F ZINC000908603138 664117098 /nfs/dbraw/zinc/11/70/98/664117098.db2.gz VIFWGYWFPWXQFP-UHFFFAOYSA-N 1 0 387.293 2.862 20 0 GFADRO CC[N@@H+]1CCCN(C(=O)c2ccc3cncc(Br)c3n2)[C@@H](C)C1 ZINC000910265308 664203630 /nfs/dbraw/zinc/20/36/30/664203630.db2.gz GZQGNMPTDUGENQ-LBPRGKRZSA-N 1 0 377.286 2.949 20 0 GFADRO CC[N@@H+]1CCCN(C(=O)c2cc(Br)cn(C3CC3)c2=O)[C@@H](C)C1 ZINC000910270723 664203802 /nfs/dbraw/zinc/20/38/02/664203802.db2.gz QUSSSCNYSYRCSX-LBPRGKRZSA-N 1 0 382.302 2.502 20 0 GFADRO CC[NH+](CC)CC(=O)N1CCc2[nH]cnc2[C@@H]1c1ccc(Br)cc1 ZINC000911253146 664240423 /nfs/dbraw/zinc/24/04/23/664240423.db2.gz PLROCYIJCDKLRP-SFHVURJKSA-N 1 0 391.313 2.988 20 0 GFADRO OC1CC[NH+](CCCNc2ccc(-c3nnc(Br)o3)cc2)CC1 ZINC000911737661 664254767 /nfs/dbraw/zinc/25/47/67/664254767.db2.gz YDXIWPZZZNGMSY-UHFFFAOYSA-N 1 0 381.274 2.758 20 0 GFADRO Brc1nnc(-c2ccc(NC[C@H]3C[N@@H+]4CCC[C@H]4CO3)cc2)o1 ZINC000911801884 664256571 /nfs/dbraw/zinc/25/65/71/664256571.db2.gz GSFSRJXBARVFSB-KBPBESRZSA-N 1 0 379.258 2.774 20 0 GFADRO O=C(Nc1ccc2c(c1)C[NH2+]CC2)c1cc(Br)cn(C2CC2)c1=O ZINC000911811592 664256901 /nfs/dbraw/zinc/25/69/01/664256901.db2.gz SNARYYRFSZUFQE-UHFFFAOYSA-N 1 0 388.265 2.844 20 0 GFADRO C[C@H]1CN(C(=O)c2c(Cl)ccc(I)c2F)CC[C@H]1[NH3+] ZINC000911816647 664256928 /nfs/dbraw/zinc/25/69/28/664256928.db2.gz CUNSTHGXWGJJCE-OIBJUYFYSA-N 1 0 396.631 2.893 20 0 GFADRO CC(C)C[C@](C)(C[NH3+])NC(=O)C[C@H]1c2cc(Br)ccc2NC1=O ZINC000911832964 664257683 /nfs/dbraw/zinc/25/76/83/664257683.db2.gz XESYVMIEDXPEGG-SUMWQHHRSA-N 1 0 382.302 2.755 20 0 GFADRO [NH3+]CCCOC1CCN(C(=O)C(F)(F)c2cccc(Br)c2)CC1 ZINC000911875760 664260276 /nfs/dbraw/zinc/26/02/76/664260276.db2.gz SKAWOJNRGMXFCN-UHFFFAOYSA-N 1 0 391.256 2.897 20 0 GFADRO C[C@@]1(C(=O)Nc2ccc(SCC[NH+]3CCCC3)cc2)CCCS1(=O)=O ZINC000911896121 664261109 /nfs/dbraw/zinc/26/11/09/664261109.db2.gz AYABWDXJTBUNPP-SFHVURJKSA-N 1 0 382.551 2.780 20 0 GFADRO CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)Cc1csc(C[NH3+])n1 ZINC000912017647 664266456 /nfs/dbraw/zinc/26/64/56/664266456.db2.gz XSXGAZAKFVVAST-UHFFFAOYSA-N 1 0 387.292 2.548 20 0 GFADRO C[C@H](CC[NH+]1CCN(C)CC1)Nc1ccc(-c2nnc(Br)o2)cc1 ZINC000912055929 664268666 /nfs/dbraw/zinc/26/86/66/664268666.db2.gz IOOIOBSZMSUFCW-CYBMUJFWSA-N 1 0 394.317 2.937 20 0 GFADRO CN(CCC[NH+](C)C)CCNc1ccc(-c2nnc(Br)o2)cc1 ZINC000912265365 664278846 /nfs/dbraw/zinc/27/88/46/664278846.db2.gz RLMVYNDOEBOKHT-UHFFFAOYSA-N 1 0 382.306 2.795 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)c2cc(Br)cn(C3CC3)c2=O)C1 ZINC000912297484 664281001 /nfs/dbraw/zinc/28/10/01/664281001.db2.gz RXFZDEGZMQVQMW-LBPRGKRZSA-N 1 0 382.302 2.548 20 0 GFADRO O=C(C[C@H]1Sc2ccc(Cl)cc2NC1=O)N1CCC([NH+]2CCC2)CC1 ZINC000912882859 664307241 /nfs/dbraw/zinc/30/72/41/664307241.db2.gz TYXMUJFPIWJTEU-MRXNPFEDSA-N 1 0 379.913 2.840 20 0 GFADRO COCC[C@@H](Cc1cccc(Br)c1)C(=O)N1CC[C@H]([NH+]2CCC2)C1 ZINC000912917210 664310279 /nfs/dbraw/zinc/31/02/79/664310279.db2.gz WOGJOLGKBUGVJX-WMZOPIPTSA-N 1 0 395.341 2.951 20 0 GFADRO C[NH+](C)CC1(O)CCN(C(=O)CCc2nc3cc(Cl)ccc3s2)CC1 ZINC000913680171 664349529 /nfs/dbraw/zinc/34/95/29/664349529.db2.gz HATTUFWZSPGAPX-UHFFFAOYSA-N 1 0 381.929 2.797 20 0 GFADRO C[NH+](C)CC1(O)CCN(C(=O)c2cc3cc(Br)ccc3o2)CC1 ZINC000913681312 664349584 /nfs/dbraw/zinc/34/95/84/664349584.db2.gz BLSUXBQLCCIFLG-UHFFFAOYSA-N 1 0 381.270 2.724 20 0 GFADRO Cn1nc(C(F)(F)F)cc1CNC(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000913874106 664362831 /nfs/dbraw/zinc/36/28/31/664362831.db2.gz CNXAUGDWSJWQKT-NSHDSACASA-N 1 0 375.420 2.603 20 0 GFADRO O=S(=O)(Cc1ccc(F)cc1Br)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000913934286 664367042 /nfs/dbraw/zinc/36/70/42/664367042.db2.gz HGEWGESMWPGSGB-UONOGXRCSA-N 1 0 391.306 2.634 20 0 GFADRO C[C@@H]1C[C@@H](N(C)S(=O)(=O)Cc2ccc(F)cc2Br)CC[N@@H+]1C ZINC000914179905 664383467 /nfs/dbraw/zinc/38/34/67/664383467.db2.gz XUUQSAHDBHTONK-RISCZKNCSA-N 1 0 393.322 2.833 20 0 GFADRO C[C@@H](CNC(=O)NC1(c2ncc(Br)cn2)CCC1)C[NH+]1CCCC1 ZINC000914243782 664389620 /nfs/dbraw/zinc/38/96/20/664389620.db2.gz SMBLNZLLKANSAO-ZDUSSCGKSA-N 1 0 396.333 2.649 20 0 GFADRO CN(Cc1ncc(Br)cn1)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000914274778 664393599 /nfs/dbraw/zinc/39/35/99/664393599.db2.gz WOJONCLNYLJEQT-UHFFFAOYSA-N 1 0 384.322 2.643 20 0 GFADRO C[N@@H+]1CC[C@H]1CNC(=O)NCC1(c2cccc(Br)c2)CCOCC1 ZINC000914276113 664393978 /nfs/dbraw/zinc/39/39/78/664393978.db2.gz KCBKINDOHXMNHU-INIZCTEOSA-N 1 0 396.329 2.501 20 0 GFADRO CC[N@@H+]1CCC[C@H](NC(=O)N2CCC[C@@H]2c2ncc(Br)cn2)C1 ZINC000914316079 664398402 /nfs/dbraw/zinc/39/84/02/664398402.db2.gz IMGGLPOANYLMOI-UONOGXRCSA-N 1 0 382.306 2.570 20 0 GFADRO CO[C@@]1(CNC(=O)NCC2CC[NH+](Cc3cccs3)CC2)CCSC1 ZINC000915425174 664430643 /nfs/dbraw/zinc/43/06/43/664430643.db2.gz FBCQQRPMGSNNIA-GOSISDBHSA-N 1 0 383.583 2.781 20 0 GFADRO CC[NH+](CC)CCOC(=O)CCNC(=O)Nc1ccc(Br)cc1 ZINC000915872837 664443178 /nfs/dbraw/zinc/44/31/78/664443178.db2.gz PKGPCKMIRAVDKA-UHFFFAOYSA-N 1 0 386.290 2.846 20 0 GFADRO CC[NH+]1CCC(CNC(=O)NC2(c3ncc(Br)cn3)CCC2)CC1 ZINC000916032495 664447556 /nfs/dbraw/zinc/44/75/56/664447556.db2.gz OKCYSMHTGSEOJG-UHFFFAOYSA-N 1 0 396.333 2.649 20 0 GFADRO C[N@@H+]1CC[C@@H]1CNC(=O)NCC1(c2ccc(Br)cc2)CCOCC1 ZINC000916066382 664448577 /nfs/dbraw/zinc/44/85/77/664448577.db2.gz DSMQESXIEPYRDR-MRXNPFEDSA-N 1 0 396.329 2.501 20 0 GFADRO O=C(OCC[NH+]1CCCCC1)[C@@H]1CCN(c2ccccc2Br)C1=O ZINC000916093553 664449730 /nfs/dbraw/zinc/44/97/30/664449730.db2.gz VKTFSFRVEIWQGL-CQSZACIVSA-N 1 0 395.297 2.831 20 0 GFADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNS(=O)(=O)c2c(Cl)nc3ccccn32)C1 ZINC000917651621 664487746 /nfs/dbraw/zinc/48/77/46/664487746.db2.gz CSPSTUNKNGIGQJ-OKILXGFUSA-N 1 0 384.933 2.634 20 0 GFADRO C[N@@H+](Cc1cccc(C(N)=O)c1)C[C@@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000918023490 664494361 /nfs/dbraw/zinc/49/43/61/664494361.db2.gz SYNKLIKXNSZNKO-CQSZACIVSA-N 1 0 383.275 2.964 20 0 GFADRO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@@H]1N2C(=O)Cn1cc(Br)cn1 ZINC000918557606 664500995 /nfs/dbraw/zinc/50/09/95/664500995.db2.gz JVLDIDKZIUPYEX-WBVHZDCISA-N 1 0 389.297 2.789 20 0 GFADRO CC(C)[C@@H](C[NH+](C)C)NC(=O)CCNC(=O)Nc1ccc(Br)cc1 ZINC000918694307 664502721 /nfs/dbraw/zinc/50/27/21/664502721.db2.gz XIYUDPSZQMEHIC-OAHLLOKOSA-N 1 0 399.333 2.663 20 0 GFADRO CC1([NH+]2CCCC2)CCN(S(=O)(=O)c2occc2Br)CC1 ZINC000918756857 664504494 /nfs/dbraw/zinc/50/44/94/664504494.db2.gz PQJHAUPWWBYSLN-UHFFFAOYSA-N 1 0 377.304 2.681 20 0 GFADRO CC(C)[NH+]1CCN(CCC(=O)NCCc2sccc2Br)CC1 ZINC000918774976 664504858 /nfs/dbraw/zinc/50/48/58/664504858.db2.gz GMSHKZQSTSVPFL-UHFFFAOYSA-N 1 0 388.375 2.585 20 0 GFADRO COC(=O)N1CCC([NH2+]C[C@@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000920092954 664522139 /nfs/dbraw/zinc/52/21/39/664522139.db2.gz ITKILWCTQIRIAE-CYBMUJFWSA-N 1 0 377.268 2.554 20 0 GFADRO C[NH+](C)CC[C@H](NS(=O)(=O)C[C@@H]1CCCCC1(F)F)c1cccnc1 ZINC000921480027 664550009 /nfs/dbraw/zinc/55/00/09/664550009.db2.gz XZUCUYGCDKSIIW-HOTGVXAUSA-N 1 0 375.485 2.819 20 0 GFADRO C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)NCc1cn(C)nc1Br ZINC000921818757 664570589 /nfs/dbraw/zinc/57/05/89/664570589.db2.gz KSKACLQPBZZTRC-ZDUSSCGKSA-N 1 0 394.317 2.502 20 0 GFADRO CCn1c(Br)c(Br)nc1CN[C@H]1C[N@H+](CC)C[C@@H]1C ZINC000921833316 664571188 /nfs/dbraw/zinc/57/11/88/664571188.db2.gz VUKKAEZDJPDXGN-UWVGGRQHSA-N 1 0 394.155 2.858 20 0 GFADRO Cc1cc(Br)cn2cc(CC[NH2+]Cc3c4c(nn3C)CCC4)nc12 ZINC000921988515 664580616 /nfs/dbraw/zinc/58/06/16/664580616.db2.gz BRGLRMSWFGIBOL-UHFFFAOYSA-N 1 0 388.313 2.960 20 0 GFADRO OC[C@H](C[NH2+]Cc1nc(Br)c[nH]1)Cc1cc(F)c(F)c(F)c1 ZINC000922063162 664583653 /nfs/dbraw/zinc/58/36/53/664583653.db2.gz DSDSDCSLOHFMGC-VIFPVBQESA-N 1 0 378.192 2.530 20 0 GFADRO C[N@H+](CCNC(=O)c1sc2cccc(Cl)c2c1Cl)CCOCCO ZINC000922121721 664586847 /nfs/dbraw/zinc/58/68/47/664586847.db2.gz AHVBUHHFZJYYCT-UHFFFAOYSA-N 1 0 391.320 2.879 20 0 GFADRO Cc1cccc(CNC(=O)NC[C@H]2CC[N@@H+]2C2CCOCC2)c1Br ZINC000922139804 664587407 /nfs/dbraw/zinc/58/74/07/664587407.db2.gz FDISCKJVHHJWAI-MRXNPFEDSA-N 1 0 396.329 2.810 20 0 GFADRO Cc1nc(C[NH2+]C[C@H]2CC(=O)N(C)[C@@H]2c2ccncc2)sc1Br ZINC000922245481 664591505 /nfs/dbraw/zinc/59/15/05/664591505.db2.gz ZMZNKYVREUTJFI-IUODEOHRSA-N 1 0 395.326 2.918 20 0 GFADRO O=C(N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1)c1c(Cl)cccc1Cl ZINC000922342696 664595502 /nfs/dbraw/zinc/59/55/02/664595502.db2.gz CDFVNADBXYSTDL-CQSZACIVSA-N 1 0 386.323 2.520 20 0 GFADRO COc1c(Br)cccc1C[NH2+]C[C@@H]1CCO[C@@H]1c1nnc(C)[nH]1 ZINC000922406091 664600061 /nfs/dbraw/zinc/60/00/61/664600061.db2.gz AAODRSNBFIIPJF-WFASDCNBSA-N 1 0 381.274 2.752 20 0 GFADRO CC[C@H](C)[NH2+][C@@H](CNC(=O)NCc1cnc(Br)cn1)c1ccco1 ZINC000922424651 664601178 /nfs/dbraw/zinc/60/11/78/664601178.db2.gz PXOXDJFVLVXIBM-AAEUAGOBSA-N 1 0 396.289 2.761 20 0 GFADRO O=c1[nH]c(=O)n(CC(F)(F)F)cc1C[NH2+]Cc1ccc(Br)s1 ZINC000922495578 664604225 /nfs/dbraw/zinc/60/42/25/664604225.db2.gz JSPACNTUHUWWES-UHFFFAOYSA-N 1 0 398.204 2.625 20 0 GFADRO C[C@@](O)(C[NH2+]Cc1ncc(I)s1)c1cccc(F)c1 ZINC000922563918 664607141 /nfs/dbraw/zinc/60/71/41/664607141.db2.gz MZICZSQNQPTTII-CYBMUJFWSA-N 1 0 392.237 2.884 20 0 GFADRO Cn1cc(C[NH2+]CCc2ccccc2S(C)(=O)=O)c(-c2cccs2)n1 ZINC000922678047 664610463 /nfs/dbraw/zinc/61/04/63/664610463.db2.gz AJYRHQWQALBJAO-UHFFFAOYSA-N 1 0 375.519 2.884 20 0 GFADRO CCO[C@@H](CNCc1c(Br)cncc1Br)C[NH+](C)C ZINC000922754094 664613502 /nfs/dbraw/zinc/61/35/02/664613502.db2.gz NITRVKYBVRGUTF-JTQLQIEISA-N 1 0 395.139 2.663 20 0 GFADRO O=C1C[C@H](CC[NH2+]Cc2cc(Br)c(Br)s2)CN1 ZINC000922780088 664614345 /nfs/dbraw/zinc/61/43/45/664614345.db2.gz GDWSADAESANYCI-ZETCQYMHSA-N 1 0 382.121 2.889 20 0 GFADRO Cc1cc(C)n2c(C[NH2+]CC3(n4cc(Br)cn4)CC3)cnc2n1 ZINC000922801641 664614845 /nfs/dbraw/zinc/61/48/45/664614845.db2.gz CQUOAHARDIUDHY-UHFFFAOYSA-N 1 0 375.274 2.584 20 0 GFADRO O=C(Cc1ccc(Br)c(F)c1)N1CCC([NH2+]C2CCOCC2)CC1 ZINC000922875369 664617233 /nfs/dbraw/zinc/61/72/33/664617233.db2.gz IDMNDJJNNBQMPY-UHFFFAOYSA-N 1 0 399.304 2.890 20 0 GFADRO Brc1cc(C[NH2+]CCOC2CCOCC2)cc2c1OCCCO2 ZINC000922934833 664619132 /nfs/dbraw/zinc/61/91/32/664619132.db2.gz WOZKHWUBSYTCOH-UHFFFAOYSA-N 1 0 386.286 2.896 20 0 GFADRO Brc1ccc(C[NH2+]CCOC2CCOCC2)c(N2CCOCC2)c1 ZINC000922934311 664619145 /nfs/dbraw/zinc/61/91/45/664619145.db2.gz NSTNFTNHHZLHJT-UHFFFAOYSA-N 1 0 399.329 2.571 20 0 GFADRO Cn1cc(C[NH2+]C[C@]2(c3ccccc3)CCCO2)c(I)n1 ZINC000922965452 664620045 /nfs/dbraw/zinc/62/00/45/664620045.db2.gz XQIPPXOJISISFN-INIZCTEOSA-N 1 0 397.260 2.820 20 0 GFADRO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)c1cnn(-c2ccccc2)c1Br ZINC000923273352 664627157 /nfs/dbraw/zinc/62/71/57/664627157.db2.gz FQOFTVSDUFMZCL-DZGCQCFKSA-N 1 0 389.297 2.944 20 0 GFADRO CN(Cc1ncc(Br)cn1)C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000923294476 664627690 /nfs/dbraw/zinc/62/76/90/664627690.db2.gz MGDHQYBGCQVZLK-AWEZNQCLSA-N 1 0 396.333 2.788 20 0 GFADRO [NH3+][C@@]1(CO)CCCN(Cc2csc(-c3ccc(Br)cc3)n2)C1 ZINC000923472340 664631120 /nfs/dbraw/zinc/63/11/20/664631120.db2.gz KUXBPYVDYICCLK-INIZCTEOSA-N 1 0 382.327 2.858 20 0 GFADRO O=S(=O)([C@@H]1CCC[NH2+]C1)N1CCC(c2nc3cc(Cl)ccc3o2)CC1 ZINC000923590815 664634371 /nfs/dbraw/zinc/63/43/71/664634371.db2.gz DVBHXWLUHDFYBO-CQSZACIVSA-N 1 0 383.901 2.742 20 0 GFADRO O=S(=O)(c1cnc(-c2ccccc2)s1)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000923647066 664635024 /nfs/dbraw/zinc/63/50/24/664635024.db2.gz SYGZENVYYSVRQX-CVEARBPZSA-N 1 0 377.535 2.820 20 0 GFADRO Cc1c(Br)cccc1CS(=O)(=O)N1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923698548 664636254 /nfs/dbraw/zinc/63/62/54/664636254.db2.gz DLLGUYPPJHVQPD-DGCLKSJQSA-N 1 0 375.332 2.504 20 0 GFADRO [NH3+]CC[C@H]1CCN(S(=O)(=O)c2ccc3ccccc3c2Br)C1 ZINC000923699922 664636363 /nfs/dbraw/zinc/63/63/63/664636363.db2.gz QIOUZKYVBWNXRL-LBPRGKRZSA-N 1 0 383.311 2.962 20 0 GFADRO O=S(=O)(c1occc1Br)N1CCC([C@H]2CCC[NH2+]CC2)CC1 ZINC000923703190 664636467 /nfs/dbraw/zinc/63/64/67/664636467.db2.gz QIURPHBRZIDVHF-LBPRGKRZSA-N 1 0 391.331 2.833 20 0 GFADRO CN(C1CC[NH2+]CC1)S(=O)(=O)N1CCC[C@@]1(C)Cc1ccc(Cl)s1 ZINC000923732730 664637228 /nfs/dbraw/zinc/63/72/28/664637228.db2.gz WUZDWAAKXJMCFB-INIZCTEOSA-N 1 0 391.990 2.727 20 0 GFADRO Cc1[nH]nc(Br)c1-c1nc(-c2ccnc(OCC[NH+](C)C)c2)no1 ZINC000923944872 664640626 /nfs/dbraw/zinc/64/06/26/664640626.db2.gz NHDFSDSWQIGWFW-UHFFFAOYSA-N 1 0 393.245 2.533 20 0 GFADRO CC(C)c1ncc(Br)c(-c2nc([C@@H]3C[N@@H+]4CCC[C@H]4CO3)no2)n1 ZINC000923961704 664641928 /nfs/dbraw/zinc/64/19/28/664641928.db2.gz XRUFQDHHSWYLJR-JQWIXIFHSA-N 1 0 394.273 2.948 20 0 GFADRO COc1nc(C)c(Br)cc1-c1noc([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)n1 ZINC000924046727 664645537 /nfs/dbraw/zinc/64/55/37/664645537.db2.gz NBZBKMICIQGLAL-MFKMUULPSA-N 1 0 395.257 2.747 20 0 GFADRO C[C@H]([NH2+]CCc1ccc(Br)s1)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000924783623 664661812 /nfs/dbraw/zinc/66/18/12/664661812.db2.gz IOLRNIPLEJWIHP-VIFPVBQESA-N 1 0 394.294 2.934 20 0 GFADRO C[C@@H]([NH2+]Cc1cc(F)ccc1Br)C1CCN(S(C)(=O)=O)CC1 ZINC000924801331 664662156 /nfs/dbraw/zinc/66/21/56/664662156.db2.gz BPLZOJOHXLZGEY-LLVKDONJSA-N 1 0 393.322 2.738 20 0 GFADRO C[C@H](C[C@H]1CCC(=O)N1)[NH2+][C@H](C)c1cc2c(cc1Br)OCCO2 ZINC000924822867 664662304 /nfs/dbraw/zinc/66/23/04/664662304.db2.gz YHJNHULRSBZVGO-IJLUTSLNSA-N 1 0 383.286 2.928 20 0 GFADRO C[C@@H]([NH2+]Cc1ccc(S(=O)(=O)N2CCCC2)cc1)C1(Br)CC1 ZINC000924820639 664662328 /nfs/dbraw/zinc/66/23/28/664662328.db2.gz LEXVVMLUBQRIRZ-CYBMUJFWSA-N 1 0 387.343 2.877 20 0 GFADRO Cc1ccc([C@@H](NC[C@H](O)C[NH+](C)C)c2cncc(Br)c2)cc1 ZINC000924995470 664664767 /nfs/dbraw/zinc/66/47/67/664664767.db2.gz WBVFPUVBJYPHKM-ZWKOTPCHSA-N 1 0 378.314 2.754 20 0 GFADRO C[N@@H+]1C[C@@H](O)C[C@@H]1CNC(=O)CCSc1ccnc2cc(Cl)ccc21 ZINC000924986041 664664802 /nfs/dbraw/zinc/66/48/02/664664802.db2.gz GMGAYAXSXGSPIM-KGLIPLIRSA-N 1 0 379.913 2.552 20 0 GFADRO CCSc1ccccc1C[C@@H](C)[NH2+]C1CCN(CCS(C)(=O)=O)CC1 ZINC000925016770 664665375 /nfs/dbraw/zinc/66/53/75/664665375.db2.gz ABDRXNULKQIMBD-MRXNPFEDSA-N 1 0 384.611 2.828 20 0 GFADRO Cc1ccc(C[C@H](C)[NH2+][C@H](C)c2ccc(S(=O)(=O)CC(N)=O)cc2)s1 ZINC000925098927 664666794 /nfs/dbraw/zinc/66/67/94/664666794.db2.gz ONTLLNNKWQRNCY-GXTWGEPZSA-N 1 0 380.535 2.597 20 0 GFADRO C[C@H]1COC[C@H](C)C1[NH2+]CCc1ccc(S(=O)(=O)N2CCCCC2)s1 ZINC000925167648 664667688 /nfs/dbraw/zinc/66/76/88/664667688.db2.gz TZQPQHWVZVAWLZ-GJZGRUSLSA-N 1 0 386.583 2.726 20 0 GFADRO O=S(=O)(N1CCC([NH2+][C@H]2COCc3cccc(Cl)c32)CC1)C(F)(F)F ZINC000925267082 664669651 /nfs/dbraw/zinc/66/96/51/664669651.db2.gz UOPVTPVOLRTUFD-ZDUSSCGKSA-N 1 0 398.834 2.815 20 0 GFADRO C[C@@H](c1cccc(Br)c1)N1CC(=O)N([C@@H]2CCC[N@H+](C)C2)C1=O ZINC000925294244 664669871 /nfs/dbraw/zinc/66/98/71/664669871.db2.gz SYSNPCFQMSTFDM-SWLSCSKDSA-N 1 0 380.286 2.869 20 0 GFADRO O=C1N[C@H](c2ccc(Br)cc2)C(=O)N1CC1CC[NH+](C2CC2)CC1 ZINC000925385465 664671480 /nfs/dbraw/zinc/67/14/80/664671480.db2.gz PAOKWDVRMSIBED-MRXNPFEDSA-N 1 0 392.297 2.916 20 0 GFADRO O=C(NCC[NH2+][C@H](C1CC1)[C@H]1CCCOC1)c1cccc(Br)c1 ZINC000925401756 664671922 /nfs/dbraw/zinc/67/19/22/664671922.db2.gz WMGYTHKESNQMOY-DOTOQJQBSA-N 1 0 381.314 2.974 20 0 GFADRO C[C@H]1CN(C(=O)Nc2cc3c(cc2Br)OCCO3)CC[C@@H]1C[NH3+] ZINC000925909433 664677285 /nfs/dbraw/zinc/67/72/85/664677285.db2.gz IGNDAXSAXAMMRA-WDEREUQCSA-N 1 0 384.274 2.669 20 0 GFADRO [NH3+][C@@]1(CO)CCCN(C(=O)Nc2ccc3cc(Br)ccc3c2)C1 ZINC000926070429 664680717 /nfs/dbraw/zinc/68/07/17/664680717.db2.gz AZQNRHVFMPXMKX-KRWDZBQOSA-N 1 0 378.270 2.920 20 0 GFADRO [NH3+][C@@]1(CO)CCCN(C(=O)Nc2ccc(Br)c3ccccc23)C1 ZINC000926084242 664681302 /nfs/dbraw/zinc/68/13/02/664681302.db2.gz VHFSMJUPRSUEAS-KRWDZBQOSA-N 1 0 378.270 2.920 20 0 GFADRO O=C(NC[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)Nc1cc(Cl)c(F)c(Cl)c1 ZINC000926104425 664681815 /nfs/dbraw/zinc/68/18/15/664681815.db2.gz KFIKNWBISNYRNF-JTQLQIEISA-N 1 0 390.242 2.939 20 0 GFADRO Cc1ncc(Br)cc1NC(=O)N1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000926131979 664682517 /nfs/dbraw/zinc/68/25/17/664682517.db2.gz CSIWDGSXPWHZJA-CYBMUJFWSA-N 1 0 383.290 2.514 20 0 GFADRO [NH3+][C@H]1CN(C(=O)Nc2nc(CC(F)(F)F)cs2)CC[C@@H]1C(F)(F)F ZINC000926133067 664682539 /nfs/dbraw/zinc/68/25/39/664682539.db2.gz WDFUKTGKKSBWFQ-YUMQZZPRSA-N 1 0 376.326 2.991 20 0 GFADRO CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)c1cscc1C(F)(F)F)C2 ZINC000926138765 664682796 /nfs/dbraw/zinc/68/27/96/664682796.db2.gz UZZQJEWIOXGJTQ-NYTXWWLZSA-N 1 0 376.444 2.976 20 0 GFADRO CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)c1cscc1C(F)(F)F)C2 ZINC000926138764 664682829 /nfs/dbraw/zinc/68/28/29/664682829.db2.gz UZZQJEWIOXGJTQ-KQTLUZQSSA-N 1 0 376.444 2.976 20 0 GFADRO CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NC(=O)c1cscc1Br)C2 ZINC000926150714 664683026 /nfs/dbraw/zinc/68/30/26/664683026.db2.gz NKXBZBBBLRNCRA-IXYNUQLISA-N 1 0 387.343 2.720 20 0 GFADRO CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NC(=O)c1ccc(Br)cc1F)C2 ZINC000926189350 664684487 /nfs/dbraw/zinc/68/44/87/664684487.db2.gz YVBXAEOXJTZNKN-XLMAVXFVSA-N 1 0 399.304 2.798 20 0 GFADRO C[C@@H]([NH2+]C[C@H](c1ccccc1)C(F)(F)F)C1CCN(S(C)(=O)=O)CC1 ZINC000926216524 664684859 /nfs/dbraw/zinc/68/48/59/664684859.db2.gz KBSPCSKOYLIYOQ-CZUORRHYSA-N 1 0 378.460 2.982 20 0 GFADRO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NC(=O)CC[C@H]3CC3(Cl)Cl)C2)[C@@H]1C(C)C ZINC000926243121 664685103 /nfs/dbraw/zinc/68/51/03/664685103.db2.gz JLEDWVYHDICHJL-ZQQZQOJVSA-N 1 0 377.356 2.946 20 0 GFADRO Cn1cc(C[C@H]2CCC[C@H]2[NH2+]Cc2ccc(S(C)(=O)=O)c(Cl)c2)cn1 ZINC000926280241 664686061 /nfs/dbraw/zinc/68/60/61/664686061.db2.gz ANLNFXIETDUPGV-NVXWUHKLSA-N 1 0 381.929 2.978 20 0 GFADRO CCn1nc(C)c([C@H](C)[NH2+]C[C@@H](CO)Cc2cccc(Br)c2)n1 ZINC000926284028 664686364 /nfs/dbraw/zinc/68/63/64/664686364.db2.gz JYYXOPRPQUJNDU-WFASDCNBSA-N 1 0 381.318 2.871 20 0 GFADRO CCn1nc(C)c([C@H](C)[NH2+]C[C@H](CO)Cc2cccc(Br)c2)n1 ZINC000926284026 664686393 /nfs/dbraw/zinc/68/63/93/664686393.db2.gz JYYXOPRPQUJNDU-SWLSCSKDSA-N 1 0 381.318 2.871 20 0 GFADRO O=S(=O)(NCCC[NH2+][C@H](C1CC1)[C@H]1CCCOC1)c1ccccc1Cl ZINC000926353701 664688385 /nfs/dbraw/zinc/68/83/85/664688385.db2.gz LQYOMOFDDUCERW-MAUKXSAKSA-N 1 0 386.945 2.803 20 0 GFADRO C[C@H]([NH2+]Cc1ccc(I)c(Cl)c1)c1cnnn1C ZINC000926366523 664688815 /nfs/dbraw/zinc/68/88/15/664688815.db2.gz LLABLRVYSGKNFT-QMMMGPOBSA-N 1 0 376.629 2.924 20 0 GFADRO O[C@H](C[NH2+][C@@H](Cc1ccccc1Br)c1ccoc1)Cn1ccnn1 ZINC000926573661 664692686 /nfs/dbraw/zinc/69/26/86/664692686.db2.gz OONXFYLYAFGJRX-WBVHZDCISA-N 1 0 391.269 2.568 20 0 GFADRO C[C@@H]([NH2+][C@H](C)C1CCN(S(C)(=O)=O)CC1)c1ccc(C(F)(F)F)nc1 ZINC000926834134 664697658 /nfs/dbraw/zinc/69/76/58/664697658.db2.gz DZQDVDSHLANPKI-VXGBXAGGSA-N 1 0 379.448 2.811 20 0 GFADRO CCO[C@@H](CNC(=O)N1CCC[C@H]1c1cncc(Br)c1)C[NH+](C)C ZINC000926849002 664697839 /nfs/dbraw/zinc/69/78/39/664697839.db2.gz FTAIBLPGRLFBPL-HOTGVXAUSA-N 1 0 399.333 2.657 20 0 GFADRO C[C@H]([NH2+]C[C@@H]1C=C[C@H]2C[C@@H]1CO2)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000926935301 664699250 /nfs/dbraw/zinc/69/92/50/664699250.db2.gz KLQRGWLNHVSFRE-YFKTTZPYSA-N 1 0 391.320 2.883 20 0 GFADRO Brc1cccc([C@H]([NH2+]C[C@@H]2C[C@@H]3COC[C@@H]3O2)[C@@H]2CCOC2)c1 ZINC000926944047 664699296 /nfs/dbraw/zinc/69/92/96/664699296.db2.gz YBEOBLAKIJLIQO-SSGTUYFUSA-N 1 0 382.298 2.920 20 0 GFADRO CN(C)c1cc[nH+]c(CNC(=O)[C@@H]2Cc3cc(Br)ccc3O2)c1 ZINC000927699587 664714254 /nfs/dbraw/zinc/71/42/54/664714254.db2.gz YGOKTLMDPKTMBH-INIZCTEOSA-N 1 0 376.254 2.530 20 0 GFADRO [NH3+]CC[C@H]1CCN(C(=O)C(=O)Nc2cccc(Cl)c2SCC(F)F)C1 ZINC000927885693 664717315 /nfs/dbraw/zinc/71/73/15/664717315.db2.gz IJNBBUZMMCKXBI-JTQLQIEISA-N 1 0 391.871 2.833 20 0 GFADRO C[C@H]1CN(C(=O)C(=O)Nc2ccccc2SC(F)(F)F)CC[C@H]1C[NH3+] ZINC000927893093 664717484 /nfs/dbraw/zinc/71/74/84/664717484.db2.gz NBNGVMNUUAGMEM-QWRGUYRKSA-N 1 0 375.416 2.680 20 0 GFADRO O=C(COCc1nc2ccccc2s1)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000928095041 664722780 /nfs/dbraw/zinc/72/27/80/664722780.db2.gz JEECRMJFNSJXAE-HIFRSBDPSA-N 1 0 377.535 2.509 20 0 GFADRO C[N@@H+]1CC[C@H]1CNC(=O)c1cccc(NC(=O)c2ccc(Br)o2)c1 ZINC000928564892 664735098 /nfs/dbraw/zinc/73/50/98/664735098.db2.gz GSKKTDHEAWZGAI-ZDUSSCGKSA-N 1 0 392.253 2.728 20 0 GFADRO C[N@@H+]1CC[C@H]1CNC(=O)c1ccc(NC(=O)CSc2cccs2)cc1 ZINC000928563177 664735260 /nfs/dbraw/zinc/73/52/60/664735260.db2.gz NVZIKMMQSBBEDW-HNNXBMFYSA-N 1 0 375.519 2.913 20 0 GFADRO Cc1c(Br)cncc1C(=O)N[C@H](CC[NH+](C)C)c1cccnc1 ZINC000928829728 664740530 /nfs/dbraw/zinc/74/05/30/664740530.db2.gz GPFJHQKISWTRRN-MRXNPFEDSA-N 1 0 377.286 2.970 20 0 GFADRO C[NH+](C)CC[C@H](NC(=O)C(=O)c1ccc(Br)cc1)c1cccnc1 ZINC000928835903 664740663 /nfs/dbraw/zinc/74/06/63/664740663.db2.gz DVXWDKRPBQLQLZ-INIZCTEOSA-N 1 0 390.281 2.836 20 0 GFADRO O=C1N[C@H](c2ccc(Cl)c(F)c2)C(=O)N1[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000929012501 664745257 /nfs/dbraw/zinc/74/52/57/664745257.db2.gz NMIKXWMSLSLQBU-RRFJBIMHSA-N 1 0 383.876 2.652 20 0 GFADRO Cc1cc(I)ccc1NC(=O)N1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC000929147484 664747135 /nfs/dbraw/zinc/74/71/35/664747135.db2.gz OCUNZJINUOLUFH-FZMZJTMJSA-N 1 0 385.249 2.767 20 0 GFADRO CNC(=O)C1CCN(Cc2cc(C)c(I)cc2C)CC1 ZINC000929194457 664748210 /nfs/dbraw/zinc/74/82/10/664748210.db2.gz AQYYRLCVQNROMS-UHFFFAOYSA-N 1 0 386.277 2.866 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)C1(n2cc(Br)cn2)CC1)c1ccccc1 ZINC000929264070 664749142 /nfs/dbraw/zinc/74/91/42/664749142.db2.gz KQZYRWUJANQDBJ-HNNXBMFYSA-N 1 0 377.286 2.554 20 0 GFADRO CC[NH+]1CCC(NC(=O)c2cc(Br)cnc2Br)CC1 ZINC000929459112 664752683 /nfs/dbraw/zinc/75/26/83/664752683.db2.gz GVGSKUSCZMCYIM-UHFFFAOYSA-N 1 0 391.107 2.821 20 0 GFADRO Nc1nc(Br)ccc1CN1CCC(OCC[NH+]2CCCC2)CC1 ZINC000929764255 664757323 /nfs/dbraw/zinc/75/73/23/664757323.db2.gz RQWCSPYFLQNSDN-UHFFFAOYSA-N 1 0 383.334 2.503 20 0 GFADRO Nc1nc(Br)ccc1C[NH2+][C@H](CN1CCOCC1)c1ccccc1 ZINC000930187196 664764228 /nfs/dbraw/zinc/76/42/28/664764228.db2.gz KYPMDOWPPNDAEE-MRXNPFEDSA-N 1 0 391.313 2.589 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)C1(n2cc(Br)cn2)CC1)c1ccc(F)cc1 ZINC000930264404 664765500 /nfs/dbraw/zinc/76/55/00/664765500.db2.gz PWLGEOYBXPGIIU-OAHLLOKOSA-N 1 0 395.276 2.693 20 0 GFADRO OC[C@@H]([NH2+]CCO[C@H]1CCOC1)c1ccc(Br)cc1C(F)(F)F ZINC000930302729 664766454 /nfs/dbraw/zinc/76/64/54/664766454.db2.gz QHIUDHOKHYSETC-SMDDNHRTSA-N 1 0 398.219 2.896 20 0 GFADRO Cc1ccc(NC(=O)NC[C@H]2CC[N@@H+]2C2CCOCC2)c(Br)n1 ZINC000930462832 664771135 /nfs/dbraw/zinc/77/11/35/664771135.db2.gz GMKNWVAIUHYOSS-CYBMUJFWSA-N 1 0 383.290 2.527 20 0 GFADRO O=S1(=O)CCC[C@@H]1C[NH2+]C1(Cc2ccc(F)cc2Cl)CCOCC1 ZINC000930587810 664773783 /nfs/dbraw/zinc/77/37/83/664773783.db2.gz QFTUXRDJEWYOIB-OAHLLOKOSA-N 1 0 375.893 2.738 20 0 GFADRO COC(=O)c1cncc(C[N@H+](C)C[C@H](O)c2ccccc2Br)c1 ZINC000930668994 664775544 /nfs/dbraw/zinc/77/55/44/664775544.db2.gz NRHYDFCHQZAJOQ-INIZCTEOSA-N 1 0 379.254 2.796 20 0 GFADRO C[C@H]1[C@@H]([NH+](C)C)CCN1Cc1nc(Cc2cccc(Br)c2)no1 ZINC000931043213 664783937 /nfs/dbraw/zinc/78/39/37/664783937.db2.gz PQIAYMOWUWCMDW-WFASDCNBSA-N 1 0 379.302 2.947 20 0 GFADRO COC(=O)c1c(Br)ccc(NC(=O)N2CC[C@@H]3C[N@H+](C)C[C@@H]32)c1C ZINC000931080790 664784733 /nfs/dbraw/zinc/78/47/33/664784733.db2.gz KNPJYJKAFWFTEI-RISCZKNCSA-N 1 0 396.285 2.712 20 0 GFADRO COC(=O)c1c(Br)ccc(NC(=O)N2CC[C@@H]3C[N@H+](C)C[C@H]32)c1C ZINC000931080786 664784747 /nfs/dbraw/zinc/78/47/47/664784747.db2.gz KNPJYJKAFWFTEI-BXUZGUMPSA-N 1 0 396.285 2.712 20 0 GFADRO CC[N@@H+]1CCC[C@H](CNC(=O)C[C@H]2C(=O)Nc3ccc(Br)cc32)C1 ZINC000931126320 664786484 /nfs/dbraw/zinc/78/64/84/664786484.db2.gz NWBQUBSNCHOAFF-IUODEOHRSA-N 1 0 394.313 2.723 20 0 GFADRO CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@](C)(O)c2ccc(F)c(Br)c2)C1 ZINC000931128162 664786620 /nfs/dbraw/zinc/78/66/20/664786620.db2.gz SGKSYOKLZRFDMK-SJCJKPOMSA-N 1 0 387.293 2.644 20 0 GFADRO O=C(NCC[NH+]1CCC(O)CC1)Nc1cccc(Br)c1Cl ZINC000931317381 664791251 /nfs/dbraw/zinc/79/12/51/664791251.db2.gz NAPTYKVLTFMPOE-UHFFFAOYSA-N 1 0 376.682 2.681 20 0 GFADRO COc1c(C)[nH]cc(C[N@H+](C)Cc2ccc(I)cc2)c1=O ZINC000931327191 664791906 /nfs/dbraw/zinc/79/19/06/664791906.db2.gz ZXAMNTZZYYXAOT-UHFFFAOYSA-N 1 0 398.244 2.929 20 0 GFADRO C[C@@H]1CC[N@H+](CCNC(=O)Nc2ccc3nccnc3c2Br)C1 ZINC000931390056 664793520 /nfs/dbraw/zinc/79/35/20/664793520.db2.gz OUGVWORPRHZPML-LLVKDONJSA-N 1 0 378.274 2.856 20 0 GFADRO CNC(=O)c1cccc(NC(=O)N(C)CC(C)(C)C[NH+](C)C)c1Br ZINC000931406449 664793991 /nfs/dbraw/zinc/79/39/91/664793991.db2.gz PIQXLVVRJZLWDV-UHFFFAOYSA-N 1 0 399.333 2.860 20 0 GFADRO OCCCCC[NH+]1CCN(C[C@@H](O)COc2cc(Cl)cc(Cl)c2)CC1 ZINC000931492891 664796288 /nfs/dbraw/zinc/79/62/88/664796288.db2.gz QGQJMOKVKGOMCH-QGZVFWFLSA-N 1 0 391.339 2.513 20 0 GFADRO Nc1cc[nH+]c2c1CN(Cc1nnc(-c3ccc(Br)o3)o1)CC2 ZINC000931508727 664796775 /nfs/dbraw/zinc/79/67/75/664796775.db2.gz JIZINDINGDZEFD-UHFFFAOYSA-N 1 0 376.214 2.628 20 0 GFADRO COc1ccc([C@H]2CN(Cc3ccc(Br)nc3N)CC[NH2+]2)cc1 ZINC000931548587 664798062 /nfs/dbraw/zinc/79/80/62/664798062.db2.gz SZOCYIKYJSECPQ-OAHLLOKOSA-N 1 0 377.286 2.581 20 0 GFADRO Cc1nc([C@H]2CC[N@H+](CCC(=O)Nc3ccccc3Br)C2)no1 ZINC000931939477 664807603 /nfs/dbraw/zinc/80/76/03/664807603.db2.gz BPJJBPDKHHHUAY-LBPRGKRZSA-N 1 0 379.258 2.959 20 0 GFADRO C[C@@]1(C2CCN(Cc3cn4cc(Br)ccc4n3)CC2)COC(=O)N1 ZINC000932096051 664810154 /nfs/dbraw/zinc/81/01/54/664810154.db2.gz QTBJUKCCIQLERA-KRWDZBQOSA-N 1 0 393.285 2.807 20 0 GFADRO CS(=O)(=O)N1CCC[C@@H](C[N@H+](Cc2nc3ccccc3s2)C2CC2)C1 ZINC000932401971 664821264 /nfs/dbraw/zinc/82/12/64/664821264.db2.gz YLPHHMPVHPZNQK-AWEZNQCLSA-N 1 0 379.551 2.932 20 0 GFADRO C[NH+](C)CCC1CCN(C(=O)c2cnn3cccc(Br)c23)CC1 ZINC000932718436 664832874 /nfs/dbraw/zinc/83/28/74/664832874.db2.gz CMSIJIHEUMQGNL-UHFFFAOYSA-N 1 0 379.302 2.901 20 0 GFADRO O[C@]1(c2ccc(Br)cc2)CCC[N@H+](Cc2[nH]nc3c2COCC3)C1 ZINC000932813657 664839750 /nfs/dbraw/zinc/83/97/50/664839750.db2.gz BQZDKEUNBZOQHJ-GOSISDBHSA-N 1 0 392.297 2.729 20 0 GFADRO COc1ncc(NC(=O)NC2CC[NH+](C3CC3)CC2)c(C)c1Br ZINC000932951068 664844698 /nfs/dbraw/zinc/84/46/98/664844698.db2.gz UFEPTNGCDZLCML-UHFFFAOYSA-N 1 0 383.290 2.909 20 0 GFADRO O[C@@H](COc1c(Cl)cccc1Cl)C[NH+]1CCC2(CC1)C[C@H](O)CCO2 ZINC000933066339 664848987 /nfs/dbraw/zinc/84/89/87/664848987.db2.gz NHTQOXCYZALHBP-ZIAGYGMSSA-N 1 0 390.307 2.739 20 0 GFADRO O[C@@H](COc1cc(Cl)ccc1Cl)C[NH+]1CCC2(CC1)C[C@@H](O)CCO2 ZINC000933066203 664849101 /nfs/dbraw/zinc/84/91/01/664849101.db2.gz MSVYZIDBXFHOGS-LSDHHAIUSA-N 1 0 390.307 2.739 20 0 GFADRO COCC[NH+]1CCC(NC(=O)Nc2c(F)ccc(Br)c2F)CC1 ZINC000933286650 664854297 /nfs/dbraw/zinc/85/42/97/664854297.db2.gz JUTSOHYDKYRDAN-UHFFFAOYSA-N 1 0 392.244 2.960 20 0 GFADRO C[C@@](CO)(Cc1ccc(Br)cc1)[NH2+]CC(=O)NCc1cccs1 ZINC000933436690 664863996 /nfs/dbraw/zinc/86/39/96/664863996.db2.gz FXQKAPLMYNRWLO-KRWDZBQOSA-N 1 0 397.338 2.710 20 0 GFADRO C[C@@](CO)(Cc1ccc(F)cc1)[NH2+]CC(=O)Nc1ccc(Br)cn1 ZINC000933440579 664864506 /nfs/dbraw/zinc/86/45/06/664864506.db2.gz GCAGYFUISZBODW-KRWDZBQOSA-N 1 0 396.260 2.505 20 0 GFADRO C[C@H](NC(=O)C[C@H]1C(=O)Nc2ccc(Br)cc21)C(C)(C)C[NH+](C)C ZINC000933464347 664865795 /nfs/dbraw/zinc/86/57/95/664865795.db2.gz NCSPHOHFIYMSNP-SMDDNHRTSA-N 1 0 396.329 2.967 20 0 GFADRO C[C@H](NC(=O)C[C@@H]1C(=O)Nc2c1cccc2Br)C(C)(C)C[NH+](C)C ZINC000933463467 664865820 /nfs/dbraw/zinc/86/58/20/664865820.db2.gz LFZDPRBDQBZFHD-AAEUAGOBSA-N 1 0 396.329 2.967 20 0 GFADRO O=S1(=O)C[C@H]2C[N@H+](CCCCOc3cccc(C(F)(F)F)c3)C[C@H]2C1 ZINC000933730423 664874342 /nfs/dbraw/zinc/87/43/42/664874342.db2.gz OJTHZZZVHLGEFI-OKILXGFUSA-N 1 0 377.428 2.841 20 0 GFADRO CC[NH+](CC)C[C@@H]1CCN(C(=O)c2nc(Br)c3ccccn32)C1 ZINC000933772102 664877606 /nfs/dbraw/zinc/87/76/06/664877606.db2.gz MSMTXCRJJLCUFH-ZDUSSCGKSA-N 1 0 379.302 2.901 20 0 GFADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2nc(Br)c3ccccn32)C1 ZINC000933780493 664877918 /nfs/dbraw/zinc/87/79/18/664877918.db2.gz ZJGRCMNHNJTWAE-ZDUSSCGKSA-N 1 0 379.302 2.901 20 0 GFADRO CC[N@H+](CCC(=O)NC)Cc1ccnc(-c2ccc(Br)cc2)n1 ZINC000933864663 664879606 /nfs/dbraw/zinc/87/96/06/664879606.db2.gz YBDXHFIQAKQNSF-UHFFFAOYSA-N 1 0 377.286 2.864 20 0 GFADRO Cn1cc([C@H]2CSCCC[N@@H+]2C[C@H](O)COc2ccc(Cl)cc2)cn1 ZINC000933977490 664883352 /nfs/dbraw/zinc/88/33/52/664883352.db2.gz BOKGZXDSMZTQEE-FUHWJXTLSA-N 1 0 381.929 2.993 20 0 GFADRO Cn1cc([C@@H]2CSCCCN2CC(=O)NCc2ccc(Cl)cc2)cn1 ZINC000933987303 664885212 /nfs/dbraw/zinc/88/52/12/664885212.db2.gz YAOHVACHSQVCHM-KRWDZBQOSA-N 1 0 378.929 2.870 20 0 GFADRO CN1CCN(CC(=O)Nc2cc(Cl)c(Cl)cc2Cl)CC[N@H+](C)CC1 ZINC000933995998 664886301 /nfs/dbraw/zinc/88/63/01/664886301.db2.gz OMORLLLIRUTBHL-UHFFFAOYSA-N 1 0 393.746 2.765 20 0 GFADRO COc1cc(Br)c(C[N@@H+]2CCCCCNC(=O)CC2)cc1OC ZINC000934163479 664891116 /nfs/dbraw/zinc/89/11/16/664891116.db2.gz QKFVUKXUIGKNJH-UHFFFAOYSA-N 1 0 385.302 2.959 20 0 GFADRO Cc1ccc(Br)c(C(=O)N2CCC(OCCC[NH+](C)C)CC2)n1 ZINC000934165329 664891412 /nfs/dbraw/zinc/89/14/12/664891412.db2.gz WYVNTEOVZYCEIX-UHFFFAOYSA-N 1 0 384.318 2.725 20 0 GFADRO C[C@@H]([NH2+]CCC(=O)Nc1sc2c(c1C(N)=O)CCCC2)c1cncs1 ZINC000934199068 664891984 /nfs/dbraw/zinc/89/19/84/664891984.db2.gz YCLUBLJPRUCWKV-SNVBAGLBSA-N 1 0 378.523 2.862 20 0 GFADRO OC[C@@H]1COc2ccccc2[C@@H]1[NH2+]C[C@H](O)c1ccc(Br)cc1 ZINC000934210566 664892418 /nfs/dbraw/zinc/89/24/18/664892418.db2.gz QGTJGCYLODALFA-RPVQJOFSSA-N 1 0 378.266 2.814 20 0 GFADRO Cc1c(Br)cncc1NC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000934254707 664894368 /nfs/dbraw/zinc/89/43/68/664894368.db2.gz YYJWEACITFSXAC-CYBMUJFWSA-N 1 0 397.317 2.775 20 0 GFADRO C[C@@](CO)([NH2+]C[C@H](O)CC1(CO)CCCC1)c1cccc(Br)c1 ZINC000934494981 664908682 /nfs/dbraw/zinc/90/86/82/664908682.db2.gz SYAYHVUDYCPBKW-SJORKVTESA-N 1 0 386.330 2.550 20 0 GFADRO CN(C)[S@](C)(=O)=NCC1CC[NH+](C[C@H](O)Cc2cccc(Cl)c2)CC1 ZINC000934753790 664918897 /nfs/dbraw/zinc/91/88/97/664918897.db2.gz ZQZDZIIWHLKOQI-IQGLISFBSA-N 1 0 387.977 2.530 20 0 GFADRO CCO[C@@H](C[NH2+][C@@H](CO)c1ccccc1I)C1CC1 ZINC000934825908 664924275 /nfs/dbraw/zinc/92/42/75/664924275.db2.gz HQEXDGPFOWRKQP-GJZGRUSLSA-N 1 0 375.250 2.729 20 0 GFADRO CCOC1CC(C[NH2+][C@@H](CO)c2ccccc2I)C1 ZINC000934827755 664925308 /nfs/dbraw/zinc/92/53/08/664925308.db2.gz IJWMWEGPUQBHPC-QOZQQMKHSA-N 1 0 375.250 2.729 20 0 GFADRO C[C@@H]1C[C@@H](C[NH2+][C@H](CO)c2ccccc2I)CCO1 ZINC000934828774 664926056 /nfs/dbraw/zinc/92/60/56/664926056.db2.gz SYEMPZHWFVSZBG-TYNCELHUSA-N 1 0 375.250 2.729 20 0 GFADRO Cc1ccc(Br)c(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)n1 ZINC000934915748 664930216 /nfs/dbraw/zinc/93/02/16/664930216.db2.gz ZYVARFNPTVNCNQ-CVEARBPZSA-N 1 0 396.329 2.650 20 0 GFADRO CC(C)c1ncc(Br)c(C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)n1 ZINC000934952137 664931730 /nfs/dbraw/zinc/93/17/30/664931730.db2.gz QTNZCEDSUIYLBZ-TZMCWYRMSA-N 1 0 381.318 2.919 20 0 GFADRO C[NH+]1CCC([C@@H]2CCN(C(=O)c3nc(Br)c4ccccn43)C2)CC1 ZINC000935086139 664938971 /nfs/dbraw/zinc/93/89/71/664938971.db2.gz WUFRBGUYLKTVEX-CQSZACIVSA-N 1 0 391.313 2.901 20 0 GFADRO C[N@@H+]1CC[C@H](NC(=O)c2cc(=O)[nH]cc2Br)[C@H]1c1ccccc1 ZINC000935118904 664940809 /nfs/dbraw/zinc/94/08/09/664940809.db2.gz OZCDHTMBZDDOSA-GOEBONIOSA-N 1 0 376.254 2.725 20 0 GFADRO C[N@@H+]1CC[C@@H](NC(=O)C2(n3cc(Br)cn3)CC2)[C@@H]1c1ccccc1 ZINC000935116718 664940896 /nfs/dbraw/zinc/94/08/96/664940896.db2.gz ANUGRRCMRQHQFI-CVEARBPZSA-N 1 0 389.297 2.696 20 0 GFADRO C[NH+]1CCC(OCC(=O)NCC[C@@H](O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000935649226 664977266 /nfs/dbraw/zinc/97/72/66/664977266.db2.gz PNDZEYPXNXXMTN-MRXNPFEDSA-N 1 0 375.296 2.644 20 0 GFADRO Cn1c(C(=O)N2CCC[C@@H]([NH+](C)C)CC2)cc2cc(Br)cnc21 ZINC000935652824 664978574 /nfs/dbraw/zinc/97/85/74/664978574.db2.gz ZEZWRPVAMBFBAS-CQSZACIVSA-N 1 0 379.302 2.892 20 0 GFADRO CC(C)c1ncc(Br)c(C(=O)NCC2CC[NH+](C3CC3)CC2)n1 ZINC000935682063 664981169 /nfs/dbraw/zinc/98/11/69/664981169.db2.gz ZTWNCHOKOIPAOY-UHFFFAOYSA-N 1 0 381.318 2.967 20 0 GFADRO CC[C@@H]1C[N@H+](C)CCCN1C(=O)c1cc2cc(Br)cnc2n1C ZINC000935776515 664988141 /nfs/dbraw/zinc/98/81/41/664988141.db2.gz PSALJRJMPRRINN-CQSZACIVSA-N 1 0 379.302 2.892 20 0 GFADRO CN(CCC[NH+]1CCCC1)C(=O)c1cc(Br)c2nccnc2c1 ZINC000935797552 664989460 /nfs/dbraw/zinc/98/94/60/664989460.db2.gz FUHAAMDPEHYMHD-UHFFFAOYSA-N 1 0 377.286 2.950 20 0 GFADRO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)C[C@@H]1C(=O)Nc2c1cccc2Br ZINC000936044296 665005546 /nfs/dbraw/zinc/00/55/46/665005546.db2.gz OSDFDHPYBBIBFM-YPMHNXCESA-N 1 0 382.302 2.720 20 0 GFADRO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)C[C@H]1C(=O)Nc2ccc(Br)cc21 ZINC000936043433 665005653 /nfs/dbraw/zinc/00/56/53/665005653.db2.gz ARWUFZBMTJAEIX-BXUZGUMPSA-N 1 0 382.302 2.720 20 0 GFADRO Cc1ccc(-c2ncc(C[NH2+][C@H]3CCO[C@@]4(CCS(=O)(=O)C4)C3)s2)o1 ZINC000956938026 665012606 /nfs/dbraw/zinc/01/26/06/665012606.db2.gz KNVOHIYFOAYCDS-GUYCJALGSA-N 1 0 382.507 2.537 20 0 GFADRO C[C@H]1CC[N@H+](CC(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ccsc2Cl)C3)C1 ZINC000996389070 665031204 /nfs/dbraw/zinc/03/12/04/665031204.db2.gz GWZUKMWIOAMNNJ-NEBZKDRISA-N 1 0 381.929 2.605 20 0 GFADRO C[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)c2cc(Cl)cs2)CC1 ZINC000997888158 665037896 /nfs/dbraw/zinc/03/78/96/665037896.db2.gz TZTKDDTYWHNNFQ-ILXRZTDVSA-N 1 0 381.929 2.605 20 0 GFADRO C[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cc(Cl)cs1 ZINC000998075958 665038760 /nfs/dbraw/zinc/03/87/60/665038760.db2.gz NGSMJSLLQXCJIY-CBBWQLFWSA-N 1 0 381.929 2.748 20 0 GFADRO C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)c2ccsc2Cl)C1 ZINC000998633201 665040451 /nfs/dbraw/zinc/04/04/51/665040451.db2.gz VJTJWMSSSUHEOM-NEBZKDRISA-N 1 0 381.929 2.605 20 0 GFADRO C[NH+](C)C1(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ccsc2Cl)C3)CCC1 ZINC001002621026 665056623 /nfs/dbraw/zinc/05/66/23/665056623.db2.gz XUERDCLQMBJAOV-BNOWGMLFSA-N 1 0 381.929 2.748 20 0 GFADRO C[C@@H](C(=O)Nc1ccc(Br)cc1)N1CCC([N@H+](C)CCCO)CC1 ZINC000115550077 677395488 /nfs/dbraw/zinc/39/54/88/677395488.db2.gz APPWSSIXJRGLKR-AWEZNQCLSA-N 1 0 398.345 2.555 20 0 GFADRO O=C(NC[C@H](O)c1ccsc1)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000120409764 677396149 /nfs/dbraw/zinc/39/61/49/677396149.db2.gz VZCSABCYCYWZIJ-INIZCTEOSA-N 1 0 383.583 2.832 20 0 GFADRO Cc1c(Br)cccc1NC(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000120724325 677397606 /nfs/dbraw/zinc/39/76/06/677397606.db2.gz ABUVOPYKEKPFCK-BBRMVZONSA-N 1 0 394.313 2.639 20 0 GFADRO CC[NH+]1CCN([C@@H](C)CNC(=O)[C@@H](C)Oc2ccc(Cl)c(Cl)c2)CC1 ZINC000120877997 677398306 /nfs/dbraw/zinc/39/83/06/677398306.db2.gz BIIUZJIAHYNGJF-UONOGXRCSA-N 1 0 388.339 2.903 20 0 GFADRO Cn1ncc(C(=O)NC[C@]2(C)CC[N@H+](Cc3ccccc3)C2)c1Br ZINC000383162838 677406715 /nfs/dbraw/zinc/40/67/15/677406715.db2.gz DHFAAKCKZHQUDG-SFHVURJKSA-N 1 0 391.313 2.825 20 0 GFADRO Cn1cc(Br)c(C[NH2+][C@H]2CCC[C@@H]2CNC(=O)OC(C)(C)C)n1 ZINC000393338535 677410548 /nfs/dbraw/zinc/41/05/48/677410548.db2.gz PAECNRTVRNCJCI-YPMHNXCESA-N 1 0 387.322 2.966 20 0 GFADRO C[N@H+](CCc1cccc(Br)c1)[C@H]1CCN(C2CCOCC2)C1=O ZINC000463418804 677412852 /nfs/dbraw/zinc/41/28/52/677412852.db2.gz ZWCAKVUXXFUJFL-KRWDZBQOSA-N 1 0 381.314 2.703 20 0 GFADRO O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)Nc1nc(-c2cccc(Cl)c2)cs1 ZINC000580309193 677674130 /nfs/dbraw/zinc/67/41/30/677674130.db2.gz KYBZYPFKJKOMJR-ZDUSSCGKSA-N 1 0 378.885 2.660 20 0 GFADRO FC(F)(c1cc(-c2cccs2)nnc1Cl)N1CC[C@H]2[NH2+]CCO[C@@H]2C1 ZINC001164390312 718824854 /nfs/dbraw/zinc/82/48/54/718824854.db2.gz NVIKBUJSIBOVKV-DGCLKSJQSA-N 1 0 386.855 2.971 20 0 GFADRO O=C1Nc2ccccc2[C@@H]2CN(c3cccc(OCC[NH+]4CCCC4)n3)C[C@H]12 ZINC001164402196 718857669 /nfs/dbraw/zinc/85/76/69/718857669.db2.gz JHXCLAYHKYNBBB-ROUUACIJSA-N 1 0 378.476 2.728 20 0 GFADRO COc1ccc2nc(C(F)(F)N3CCO[C@H]4C[NH2+]CC[C@H]4C3)nc(Cl)c2c1 ZINC001164404953 718864741 /nfs/dbraw/zinc/86/47/41/718864741.db2.gz BWYVVRQQWMAZMR-NHYWBVRUSA-N 1 0 398.841 2.651 20 0 GFADRO FC(F)(F)[C@H]1CCC2(CC[NH2+]CC2)N1c1ccc(CN2CCOCC2)cn1 ZINC001164413088 718879855 /nfs/dbraw/zinc/87/98/55/718879855.db2.gz ATEFJSLXOVQONX-MRXNPFEDSA-N 1 0 384.446 2.567 20 0 GFADRO [NH3+][C@@]12C[C@@H]1CN(C(F)(F)Oc1cccc(COc3cncc(Cl)n3)c1)C2 ZINC001164419192 718888813 /nfs/dbraw/zinc/88/88/13/718888813.db2.gz QNKKQIYWEVOJKI-MLGOLLRUSA-N 1 0 382.798 2.671 20 0 GFADRO CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@@H]2N1C(F)(F)c1cnc(Cl)c(Cl)c1 ZINC001164618906 719012412 /nfs/dbraw/zinc/01/24/12/719012412.db2.gz URDVKNMPOQCPQC-ZHAHWJHGSA-N 1 0 380.222 2.663 20 0 GFADRO CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@H]2N1C(F)(F)c1nc(Cl)c2ccccc2n1 ZINC001164615225 719012989 /nfs/dbraw/zinc/01/29/89/719012989.db2.gz HPJHKQFLLQFCLD-DDTOSNHZSA-N 1 0 396.825 2.558 20 0 GFADRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(F)(F)c1nc2ccccc2nc1Cl ZINC001164618754 719015951 /nfs/dbraw/zinc/01/59/51/719015951.db2.gz STPPCHOQLSRIFR-LEWSCRJBSA-N 1 0 396.825 2.558 20 0 GFADRO CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@H]2N1C(F)(F)Sc1ccc(Cl)nc1 ZINC001164618881 719018757 /nfs/dbraw/zinc/01/87/57/719018757.db2.gz ULWOVNBJCBEYPX-ADEWGFFLSA-N 1 0 377.844 2.603 20 0 GFADRO CCOC(=O)C1CC[NH+](C2CCN(c3nc(Cl)nc4[nH]ccc43)CC2)CC1 ZINC001164616661 719020973 /nfs/dbraw/zinc/02/09/73/719020973.db2.gz LFYXMVPONYUMFQ-UHFFFAOYSA-N 1 0 391.903 2.855 20 0 GFADRO CCOC(=O)c1cccc(N2CCC([NH+]3CCC(C(=O)OCC)CC3)CC2)n1 ZINC001164613931 719024558 /nfs/dbraw/zinc/02/45/58/719024558.db2.gz KCOSDQHLOHWEIS-UHFFFAOYSA-N 1 0 389.496 2.502 20 0 GFADRO COC(=O)CSc1cncc(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)n1 ZINC001164627402 719103812 /nfs/dbraw/zinc/10/38/12/719103812.db2.gz KDFSBHUBPULGJP-QZTJIDSGSA-N 1 0 398.532 2.843 20 0 GFADRO [NH3+]C1([C@@H]2CN(c3ncnc4c3CN(Cc3ccccc3)CC4)C[C@@H]2CF)CC1 ZINC001164621842 719116004 /nfs/dbraw/zinc/11/60/04/719116004.db2.gz BDOSTAZOVRIZKP-PKOBYXMFSA-N 1 0 381.499 2.548 20 0 GFADRO COC(=O)c1nc(Cl)ccc1C(F)(F)N1C[C@@H](CF)[C@H](C2([NH3+])CC2)C1 ZINC001164629819 719117882 /nfs/dbraw/zinc/11/78/82/719117882.db2.gz TWOGJIYXWRCRQA-MWLCHTKSSA-N 1 0 377.794 2.580 20 0 GFADRO Cc1c(C)n(Cc2ccccc2)c2ncnc(N3C[C@@H]4[C@H](C3)OCC[N@H+]4C)c12 ZINC001164673825 719439486 /nfs/dbraw/zinc/43/94/86/719439486.db2.gz UVISFKVBFVMKJS-MOPGFXCFSA-N 1 0 377.492 2.616 20 0 GFADRO CSCc1nc2sc3c(c2c(N2C[C@@H]4[C@H](C2)OCC[N@@H+]4C)n1)CCCC3 ZINC001164674363 719444438 /nfs/dbraw/zinc/44/44/38/719444438.db2.gz WLDXCSCZVDZBKN-KGLIPLIRSA-N 1 0 390.578 2.952 20 0 GFADRO CSc1nc2c(c(-n3nc(CN(C)C(C)C)c4c3C[NH2+]CC4)n1)CCCC2 ZINC001164682612 719618508 /nfs/dbraw/zinc/61/85/08/719618508.db2.gz OKVYWWSQZFZLHO-UHFFFAOYSA-N 1 0 386.569 2.749 20 0 GFADRO Cc1nc(-c2ccncc2)nc(-n2nc(CN(C)C(C)C)c3c2C[NH2+]CC3)c1C ZINC001164680573 719644349 /nfs/dbraw/zinc/64/43/49/719644349.db2.gz WKZNSODOUQHXAI-UHFFFAOYSA-N 1 0 391.523 2.827 20 0 GFADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1nc3ccc(OC)cc3cc1C)CC2 ZINC001164683489 719697038 /nfs/dbraw/zinc/69/70/38/719697038.db2.gz FXMPJOZSCCAYNR-UHFFFAOYSA-N 1 0 382.508 2.733 20 0 GFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(Cl)nc3[nH]cc(F)c31)C2 ZINC001164811362 720070001 /nfs/dbraw/zinc/07/00/01/720070001.db2.gz OADUBNBXORIBPS-DJJJIMSYSA-N 1 0 393.894 2.935 20 0 GFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1cnc(Cl)cn1)C2 ZINC001164814173 720078424 /nfs/dbraw/zinc/07/84/24/720078424.db2.gz VTELHAJPFBDJLO-PBHICJAKSA-N 1 0 386.874 2.860 20 0 GFADRO CCOc1cncc(N2CCC3(C[C@H](COC)[N@H+](Cc4ccccn4)C3)CC2)n1 ZINC001164709672 720094732 /nfs/dbraw/zinc/09/47/32/720094732.db2.gz CDDMSDBNCQTNFV-LJQANCHMSA-N 1 0 397.523 2.778 20 0 GFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(Cl)nc3c1ccn3C)C2 ZINC001164809243 720097724 /nfs/dbraw/zinc/09/77/24/720097724.db2.gz IZLXMZASDGHTHV-FOIQADDNSA-N 1 0 389.931 2.806 20 0 GFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(Cl)nc3cnccc31)C2 ZINC001164811443 720097778 /nfs/dbraw/zinc/09/77/78/720097778.db2.gz OKIXTOXXOKTUKI-MGPUTAFESA-N 1 0 387.915 2.863 20 0 GFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(Cl)nc3cnccc31)C2 ZINC001164811449 720097816 /nfs/dbraw/zinc/09/78/16/720097816.db2.gz OKIXTOXXOKTUKI-YWZLYKJASA-N 1 0 387.915 2.863 20 0 GFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(Cl)nc3c1ccn3C)C2 ZINC001164809248 720098352 /nfs/dbraw/zinc/09/83/52/720098352.db2.gz IZLXMZASDGHTHV-QRWLVFNGSA-N 1 0 389.931 2.806 20 0 GFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cnc3ccc(OC)cc3n1)C2 ZINC001164809053 720118057 /nfs/dbraw/zinc/11/80/57/720118057.db2.gz GKTVZZDVSNNRHE-HTAPYJJXSA-N 1 0 382.508 2.823 20 0 GFADRO CCOC(=O)c1cc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COC)ncc1C ZINC001164809080 720124949 /nfs/dbraw/zinc/12/49/49/720124949.db2.gz GQMOFFHIQQFOOS-XMSQKQJNSA-N 1 0 387.524 2.751 20 0 GFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ccnc(-c3cccnc3)n1)C2 ZINC001164815880 720129874 /nfs/dbraw/zinc/12/98/74/720129874.db2.gz WSLLIMHDPRCXMT-UGKGYDQZSA-N 1 0 379.508 2.723 20 0 GFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc3nc[nH]c3cc1Cl)C2 ZINC001164809154 720133424 /nfs/dbraw/zinc/13/34/24/720133424.db2.gz HJYADWMLEWNUET-LIRRHRJNSA-N 1 0 375.904 2.796 20 0 GFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cc(N3CCC[C@H](C)C3)ncn1)C2 ZINC001164815623 720184691 /nfs/dbraw/zinc/18/46/91/720184691.db2.gz IPOXIRDOAKTCNP-LEDOBFOHSA-N 1 0 399.583 2.898 20 0 GFADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1ncc(F)c3cc[nH]c31)CCC2 ZINC001164814544 720232490 /nfs/dbraw/zinc/23/24/90/720232490.db2.gz XRQLJYQWDHLYBU-UHFFFAOYSA-N 1 0 384.459 2.509 20 0 GFADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2nc(Cl)ncc2Cl)CC1 ZINC001164825343 720294327 /nfs/dbraw/zinc/29/43/27/720294327.db2.gz TWDRUGSIFJGGID-CABCVRRESA-N 1 0 398.338 2.695 20 0 GFADRO Cc1nc(C(C)C)cc(N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164819596 720294651 /nfs/dbraw/zinc/29/46/51/720294651.db2.gz DQTXVGXLUJHAPS-PMACEKPBSA-N 1 0 385.556 2.820 20 0 GFADRO COc1cc(Cl)cnc1N1CC[C@H]2[C@@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164821978 720299547 /nfs/dbraw/zinc/29/95/47/720299547.db2.gz MBTKGUJVVJNJQU-IRXDYDNUSA-N 1 0 392.931 2.655 20 0 GFADRO Cc1cc(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)ncc1Cl ZINC001164822077 720306089 /nfs/dbraw/zinc/30/60/89/720306089.db2.gz MMKZPFFHQLHHIN-ZWKOTPCHSA-N 1 0 376.932 2.955 20 0 GFADRO COc1cc(Cl)ncc1N1CC[C@@H]2[C@@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164819659 720309885 /nfs/dbraw/zinc/30/98/85/720309885.db2.gz FPCBUWFTGHNLFG-JKSUJKDBSA-N 1 0 392.931 2.655 20 0 GFADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2ccc3c(n2)CCCC3)CC1 ZINC001164818642 720312728 /nfs/dbraw/zinc/31/27/28/720312728.db2.gz AXHWFZUQZFOCCB-RTWAWAEBSA-N 1 0 382.552 2.872 20 0 GFADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2nccc3cnccc32)CC1 ZINC001164832898 720327499 /nfs/dbraw/zinc/32/74/99/720327499.db2.gz URSIMPPPIWPSQA-UXHICEINSA-N 1 0 379.508 2.541 20 0 GFADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2ncc(F)c3cc[nH]c32)CC1 ZINC001164829440 720331593 /nfs/dbraw/zinc/33/15/93/720331593.db2.gz MAEQKCJFMCXOBL-QZTJIDSGSA-N 1 0 385.487 2.614 20 0 GFADRO Cc1cc(N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc(C2CC2)n1 ZINC001164830709 720344931 /nfs/dbraw/zinc/34/49/31/720344931.db2.gz WPWUVVGYFRJCGH-OALUTQOASA-N 1 0 383.540 2.574 20 0 GFADRO CC(C)(C)NC(=O)c1ccc(N2CC[C@@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)nc1 ZINC001164728983 720384974 /nfs/dbraw/zinc/38/49/74/720384974.db2.gz UOYPYXOHWYZRGN-MOPGFXCFSA-N 1 0 379.508 2.858 20 0 GFADRO COCc1cc(N2Cc3nccn3C[C@@H](C[NH+](C)C)C2)nc(-c2ccccc2)n1 ZINC001164731813 720507091 /nfs/dbraw/zinc/50/70/91/720507091.db2.gz QTBSJQWYIFEWGC-QGZVFWFLSA-N 1 0 392.507 2.685 20 0 GFADRO COc1cccc(-c2ccnc(N3Cc4nccn4C[C@H](C[NH+](C)C)C3)n2)c1 ZINC001164725959 720519897 /nfs/dbraw/zinc/51/98/97/720519897.db2.gz AEYWQKDRVCFGII-INIZCTEOSA-N 1 0 378.480 2.547 20 0 GFADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3ncnc4c3CCCC4)CC[C@@H]21 ZINC001164840857 720534402 /nfs/dbraw/zinc/53/44/02/720534402.db2.gz UGXVLBCUILPCQJ-WFXMLNOXSA-N 1 0 380.540 2.930 20 0 GFADRO COC(=O)c1cc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)ncc1C ZINC001164840863 720560190 /nfs/dbraw/zinc/56/01/90/720560190.db2.gz UGYWHBGLIIAIRK-NLWGTHIKSA-N 1 0 397.523 2.751 20 0 GFADRO Cc1cc(N2CCc3ncc(C[NH+]4CCCC4)n3CC2)nc(-c2ccccn2)n1 ZINC001164736343 720581915 /nfs/dbraw/zinc/58/19/15/720581915.db2.gz JNKNVMZYQNZWHU-UHFFFAOYSA-N 1 0 389.507 2.702 20 0 GFADRO CSc1cc(Cl)ncc1N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001164741470 720675535 /nfs/dbraw/zinc/67/55/35/720675535.db2.gz TXYXWPNKVHXTDI-QWHCGFSZSA-N 1 0 377.901 2.589 20 0 GFADRO CNC(=O)c1ccnc(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)c1 ZINC001164839566 720702550 /nfs/dbraw/zinc/70/25/50/720702550.db2.gz LYKCRWUBXDPSQQ-FQEVSTJZSA-N 1 0 394.519 2.701 20 0 GFADRO Cc1cccc2nc(Cl)nc(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)c12 ZINC001164746418 720736809 /nfs/dbraw/zinc/73/68/09/720736809.db2.gz XYFCVXLCKOFPIT-LSDHHAIUSA-N 1 0 396.882 2.724 20 0 GFADRO Cc1c(Cl)nc(C(C)C)nc1N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001164748943 720800773 /nfs/dbraw/zinc/80/07/73/720800773.db2.gz SARJPQJJASJIGE-LSDHHAIUSA-N 1 0 388.903 2.694 20 0 GFADRO CC(C)c1ccnc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164751031 720838716 /nfs/dbraw/zinc/83/87/16/720838716.db2.gz XXQFWYDYAQDCGT-NLWGTHIKSA-N 1 0 381.528 2.571 20 0 GFADRO COCC[N@@H+]1CCO[C@H]2CN(c3nc(Cl)nc4c3CCCCC4)CC[C@H]2C1 ZINC001164858373 720852108 /nfs/dbraw/zinc/85/21/08/720852108.db2.gz ZQOKEZGQXSMHNP-YJBOKZPZSA-N 1 0 394.947 2.572 20 0 GFADRO CCCCc1cc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)ncn1 ZINC001164748191 720854647 /nfs/dbraw/zinc/85/46/47/720854647.db2.gz LCXRQUJTGRBGDP-HLAWJBBLSA-N 1 0 395.555 2.790 20 0 GFADRO c1cnc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc1 ZINC001164747216 720867504 /nfs/dbraw/zinc/86/75/04/720867504.db2.gz AOAFMFJDWVBFAD-IRLDBZIGSA-N 1 0 379.508 2.627 20 0 GFADRO Cc1c(Cl)cnc(Cl)c1N1CCc2onc(C(=O)NCC[NH+](C)C)c2C1 ZINC001164749207 720961687 /nfs/dbraw/zinc/96/16/87/720961687.db2.gz BDIMYEKGNBFPOT-UHFFFAOYSA-N 1 0 398.294 2.539 20 0 GFADRO Cc1nc2ccsc2c(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164871485 721042021 /nfs/dbraw/zinc/04/20/21/721042021.db2.gz ZDZLDKHHFARPTP-DLBZAZTESA-N 1 0 381.505 2.874 20 0 GFADRO Cc1csc2ncnc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)c12 ZINC001164870047 721044264 /nfs/dbraw/zinc/04/42/64/721044264.db2.gz VIYNQBQJSQSQHS-SJORKVTESA-N 1 0 381.505 2.874 20 0 GFADRO Fc1ccc2c(c1)ncnc2N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164871426 721055936 /nfs/dbraw/zinc/05/59/36/721055936.db2.gz YSLBCHRWQRLBKK-QZTJIDSGSA-N 1 0 379.439 2.644 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(C(F)(F)c4ccnc(Cl)c4)C[C@@H]3C2)cn1 ZINC001164767507 721074654 /nfs/dbraw/zinc/07/46/54/721074654.db2.gz MAHBWNOKRPGIFG-CABCVRRESA-N 1 0 381.858 2.972 20 0 GFADRO Cc1cccc2ncc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)nc12 ZINC001164866010 721079452 /nfs/dbraw/zinc/07/94/52/721079452.db2.gz RELIXVZEDLKHQQ-MOPGFXCFSA-N 1 0 375.476 2.813 20 0 GFADRO COc1ccc2nc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)ncc2c1 ZINC001164865331 721096760 /nfs/dbraw/zinc/09/67/60/721096760.db2.gz KBYBCRODBONMDY-ICSRJNTNSA-N 1 0 391.475 2.513 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN([C@H](F)Oc4ccnc(Cl)c4)C[C@@H]3C2)cn1 ZINC001164772697 721101456 /nfs/dbraw/zinc/10/14/56/721101456.db2.gz VTDLHDYHEVZYSF-VKJFTORMSA-N 1 0 379.867 2.554 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(C(F)(F)Oc4ccc(Cl)nc4)C[C@@H]3C2)cn1 ZINC001164765349 721103148 /nfs/dbraw/zinc/10/31/48/721103148.db2.gz JAKIWCOGTCZEII-GJZGRUSLSA-N 1 0 397.857 2.852 20 0 GFADRO CSc1nc2c(c(N3C[C@@H]4CC[N@H+](Cc5cnn(C)c5)C[C@@H]4C3)n1)CCCC2 ZINC001164773230 721122305 /nfs/dbraw/zinc/12/23/05/721122305.db2.gz XGYHOJXOIIZHIG-DLBZAZTESA-N 1 0 398.580 2.769 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN([C@@H](F)Oc4ccc(Cl)nc4)C[C@@H]3C2)cn1 ZINC001164763347 721131735 /nfs/dbraw/zinc/13/17/35/721131735.db2.gz FGHWLZAAZWMVHG-RVKKMQEKSA-N 1 0 379.867 2.554 20 0 GFADRO CSc1cnc(Cl)nc1N1C[C@@H]2CC[N@H+](Cc3cnn(C)c3)C[C@@H]2C1 ZINC001164764213 721142140 /nfs/dbraw/zinc/14/21/40/721142140.db2.gz HKSZDAXQMPIMLG-UONOGXRCSA-N 1 0 378.933 2.544 20 0 GFADRO CCOc1ccc2ncnc(N3C[C@@H]4CC[N@H+](Cc5cnn(C)c5)C[C@@H]4C3)c2c1 ZINC001164771765 721144962 /nfs/dbraw/zinc/14/49/62/721144962.db2.gz SZLNIYDFNHEZIV-ZWKOTPCHSA-N 1 0 392.507 2.720 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4ncnc5[nH]c6ccccc6c54)C[C@H]3C2)cn1 ZINC001164767240 721147439 /nfs/dbraw/zinc/14/74/39/721147439.db2.gz LYYSXNKJOWSGRT-IAGOWNOFSA-N 1 0 387.491 2.803 20 0 GFADRO CCCN(CCC)c1cc(N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@H]3C2)ncn1 ZINC001164771434 721169451 /nfs/dbraw/zinc/16/94/51/721169451.db2.gz PRZCRQYINXNBMS-PMACEKPBSA-N 1 0 397.571 2.795 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4ccc5nccc(Cl)c5n4)C[C@@H]3C2)cn1 ZINC001164767772 721183709 /nfs/dbraw/zinc/18/37/09/721183709.db2.gz KNIFDMGOZAPAKU-HOTGVXAUSA-N 1 0 382.899 2.975 20 0 GFADRO CSc1ncc(Cl)nc1N1C[C@@H]2C[N@@H+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001164761991 721187457 /nfs/dbraw/zinc/18/74/57/721187457.db2.gz BJURBYGPCWHUTK-KGLIPLIRSA-N 1 0 378.933 2.544 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4cc(-c5ccc(F)cc5)ncn4)C[C@@H]3C2)cn1 ZINC001164772378 721210302 /nfs/dbraw/zinc/21/03/02/721210302.db2.gz UGQFCALCCDMTFX-MOPGFXCFSA-N 1 0 392.482 2.975 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4ccc(-c5ccc(F)cc5)nn4)C[C@@H]3C2)cn1 ZINC001164770109 721212599 /nfs/dbraw/zinc/21/25/99/721212599.db2.gz NDLPBONCFNNOFD-OALUTQOASA-N 1 0 392.482 2.975 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4ccc(-c5ccccc5F)nn4)C[C@H]3C2)cn1 ZINC001164765150 721217298 /nfs/dbraw/zinc/21/72/98/721217298.db2.gz HZDBBPIXXSCQPU-QZTJIDSGSA-N 1 0 392.482 2.975 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4ccc(-c5ccsc5)nn4)C[C@@H]3C2)cn1 ZINC001164760085 721230575 /nfs/dbraw/zinc/23/05/75/721230575.db2.gz CEPKFVBIXPSHAC-AEFFLSMTSA-N 1 0 380.521 2.897 20 0 GFADRO COc1cc(C)c2ncnc(N3C[C@@H]4CC[N@H+](Cc5cnn(C)c5)C[C@@H]4C3)c2c1 ZINC001164769752 721250225 /nfs/dbraw/zinc/25/02/25/721250225.db2.gz ZMCNSDNDQSPOLE-ZWKOTPCHSA-N 1 0 392.507 2.639 20 0 GFADRO Cc1cc2ccncc2nc1N1CC[C@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2 ZINC001164895826 721444151 /nfs/dbraw/zinc/44/41/51/721444151.db2.gz QBFJTBZQHXKTIL-OFNKIYASSA-N 1 0 395.551 2.704 20 0 GFADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nnc(C)cc1C)CC2 ZINC001164790421 721455697 /nfs/dbraw/zinc/45/56/97/721455697.db2.gz YWFCTLQCNSHNRL-HXUWFJFHSA-N 1 0 388.556 2.827 20 0 GFADRO COc1cnc(SC)nc1N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164896280 721514633 /nfs/dbraw/zinc/51/46/33/721514633.db2.gz ALCPTSUINASQLA-ZBFHGGJFSA-N 1 0 390.484 2.688 20 0 GFADRO Fc1cccc(O[C@@H]2C[C@H]3CN(c4ncnc5cnc(F)cc54)CC[N@@H+]3C2)c1 ZINC001164898156 721523764 /nfs/dbraw/zinc/52/37/64/721523764.db2.gz ICQINNDSESJJFB-GOEBONIOSA-N 1 0 383.402 2.645 20 0 GFADRO Nc1cc(F)c(Cl)nc1N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164909338 721546725 /nfs/dbraw/zinc/54/67/25/721546725.db2.gz ROORHBBMENRNTH-JSGCOSHPSA-N 1 0 380.826 2.937 20 0 GFADRO CCCNC(=O)c1ccc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)nc1 ZINC001164906442 721555436 /nfs/dbraw/zinc/55/54/36/721555436.db2.gz JDVBKSDFCWHVCT-QUCCMNQESA-N 1 0 398.482 2.702 20 0 GFADRO Fc1cccc(O[C@@H]2C[C@@H]3CN(c4cc(-c5nnco5)ccn4)CC[N@@H+]3C2)c1 ZINC001164907558 721558338 /nfs/dbraw/zinc/55/83/38/721558338.db2.gz OLKQQUMPTBFNGB-SJLPKXTDSA-N 1 0 381.411 2.613 20 0 GFADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncc(F)c3cc[nH]c32)[C@@H]2CCCO[C@H]12 ZINC001164806193 721570818 /nfs/dbraw/zinc/57/08/18/721570818.db2.gz PHRFJGKPJLXDAO-GGPKGHCWSA-N 1 0 381.455 2.965 20 0 GFADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc(C(N)=O)c(Cl)cn3)C[C@H]21 ZINC001165027192 721802764 /nfs/dbraw/zinc/80/27/64/721802764.db2.gz UDMRONLNYAJXDE-POZUXBRTSA-N 1 0 399.926 2.966 20 0 GFADRO COC(=O)c1cc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)ncc1N ZINC001165026911 721807317 /nfs/dbraw/zinc/80/73/17/721807317.db2.gz SEEOAEXYGMJAIJ-ZAAXVRCTSA-N 1 0 395.507 2.582 20 0 GFADRO CCOC(=O)c1cnc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)cn1 ZINC001165025584 721810399 /nfs/dbraw/zinc/81/03/99/721810399.db2.gz NYAYEVWMWUEXKA-ILZDJORESA-N 1 0 395.507 2.785 20 0 GFADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ncc4c(n3)CCCN4)C[C@H]21 ZINC001165027099 721811963 /nfs/dbraw/zinc/81/19/63/721811963.db2.gz SFBVCEKTUXSYFV-YRISNDGFSA-N 1 0 378.524 2.967 20 0 GFADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc(-n4ccnc4)nn3)C[C@H]21 ZINC001165027109 721817491 /nfs/dbraw/zinc/81/74/91/721817491.db2.gz SGVNKKSDXCBBBO-MISYRCLQSA-N 1 0 389.507 2.794 20 0 GFADRO CCn1cnc2c1ncnc2N1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165029704 721824214 /nfs/dbraw/zinc/82/42/14/721824214.db2.gz XMXKZOFBCDIENY-WDSOQIARSA-N 1 0 391.523 2.978 20 0 GFADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3c(Cl)nccc3C(N)=O)C[C@H]21 ZINC001165020759 721829791 /nfs/dbraw/zinc/82/97/91/721829791.db2.gz DRCHZGPQTRWNRU-BMGDILEWSA-N 1 0 399.926 2.966 20 0 GFADRO CCOc1nccc(N(C)C2CC[NH+](Cc3c(OC)cccc3OC)CC2)n1 ZINC001165023214 721841599 /nfs/dbraw/zinc/84/15/99/721841599.db2.gz YRBAOPZJDOAQRD-UHFFFAOYSA-N 1 0 386.496 2.993 20 0 GFADRO CN(C)CC[N@@H+]1CC[C@H]2[C@H]1CCN2c1nc(-c2cccnc2)nc2ccccc21 ZINC001164932938 721877870 /nfs/dbraw/zinc/87/78/70/721877870.db2.gz KINSTESBYVFXOO-RTWAWAEBSA-N 1 0 388.519 2.906 20 0 GFADRO C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2C(Cl)(Cl)Oc1ccc(Cl)nc1 ZINC001164932931 721890039 /nfs/dbraw/zinc/89/00/39/721890039.db2.gz KIICJOODXJUYLA-ZIAGYGMSSA-N 1 0 393.746 2.913 20 0 GFADRO CN1C(=O)CC[C@@H]2[C@H]1CCN2C(F)(F)c1cnc(Cl)c(C2=CC[NH2+]CC2)c1 ZINC001164936542 721894574 /nfs/dbraw/zinc/89/45/74/721894574.db2.gz ZGPFURBQOOUNRI-HZPDHXFCSA-N 1 0 396.869 2.856 20 0 GFADRO Cc1ccc(-c2nc3c(ncnc3N3CC[NH+](C[C@H]4CCCO4)CC3)o2)cc1 ZINC001165040216 721919465 /nfs/dbraw/zinc/91/94/65/721919465.db2.gz ZUZGXYLNAXUTBC-QGZVFWFLSA-N 1 0 379.464 2.894 20 0 GFADRO Cn1ccc2c1cc[nH+]c2N1CCC2(CC1)C(=O)NCCN2Cc1ccccc1 ZINC001164946841 721971488 /nfs/dbraw/zinc/97/14/88/721971488.db2.gz XCCQZQPJQLXQCK-UHFFFAOYSA-N 1 0 389.503 2.544 20 0 GFADRO NC(=O)c1cnc(Cl)cc1N1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001164953314 722013262 /nfs/dbraw/zinc/01/32/62/722013262.db2.gz FBPVMWLEOULPHV-UHFFFAOYSA-N 1 0 385.899 2.721 20 0 GFADRO CC(C)n1cnc2c1nc(Cl)nc2N1CC[NH+](CCc2ccccn2)CC1 ZINC001165055107 722015301 /nfs/dbraw/zinc/01/53/01/722015301.db2.gz DGFYUICAYLAXBQ-UHFFFAOYSA-N 1 0 385.903 2.820 20 0 GFADRO FC(F)c1cnc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)nc1 ZINC001164966954 722061262 /nfs/dbraw/zinc/06/12/62/722061262.db2.gz ZWOUSIOWQQLHPW-UHFFFAOYSA-N 1 0 389.450 2.928 20 0 GFADRO O=C(c1cscn1)N1CC[C@@H]2[C@@H]1CCN2c1ncccc1C[NH+]1CCCC1 ZINC001164965698 722065880 /nfs/dbraw/zinc/06/58/80/722065880.db2.gz LMRNNOFBLLKSDL-MSOLQXFVSA-N 1 0 383.521 2.627 20 0 GFADRO CC(C)(C)NC(=O)c1cc(Cl)nc(N2C[C@@H]3C[N@@H+](CC4CC4)C[C@H](C2)O3)c1 ZINC001164967037 722072916 /nfs/dbraw/zinc/07/29/16/722072916.db2.gz FUGDWGYAYANHQO-IYBDPMFKSA-N 1 0 392.931 2.563 20 0 GFADRO CCOC(=O)c1cc2c(N3C[C@@H]4C[N@@H+](CC5CC5)C[C@H](C3)O4)[nH]c(C)c(C)c-2n1 ZINC001164967749 722073274 /nfs/dbraw/zinc/07/32/74/722073274.db2.gz UULRTFLBHJNFMK-CALCHBBNSA-N 1 0 398.507 2.656 20 0 GFADRO CC(C)n1ccc2c1nc(Cl)nc2N1C[C@@H]2C[N@@H+](CC3CC3)C[C@H](C1)O2 ZINC001164967455 722074841 /nfs/dbraw/zinc/07/48/41/722074841.db2.gz QOTJVZIMEFKVFF-GASCZTMLSA-N 1 0 375.904 2.965 20 0 GFADRO Fc1ccc2ncnc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)c2c1 ZINC001164983934 722103781 /nfs/dbraw/zinc/10/37/81/722103781.db2.gz RFJFYAUOWHMGDH-UWJYYQICSA-N 1 0 393.466 2.891 20 0 GFADRO Clc1cc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c2[nH]cnc2n1 ZINC001164971031 722112601 /nfs/dbraw/zinc/11/26/01/722112601.db2.gz BCNMQPGIJCJXIZ-NVXWUHKLSA-N 1 0 398.898 2.734 20 0 GFADRO CC(C)(C)c1cc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)ncn1 ZINC001164985528 722140828 /nfs/dbraw/zinc/14/08/28/722140828.db2.gz ZSPBOZSTCYJGOL-RTBURBONSA-N 1 0 381.524 2.896 20 0 GFADRO COCCOc1ccc(N2CCC[C@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)nn1 ZINC001164995991 722209081 /nfs/dbraw/zinc/20/90/81/722209081.db2.gz RFEJDOSWSUSWKW-NRFANRHFSA-N 1 0 386.471 2.886 20 0 GFADRO Cc1csc2cnc(N3CCCn4cnc(COCC[NH+](C)C)c4C3)nc12 ZINC001165003064 722255584 /nfs/dbraw/zinc/25/55/84/722255584.db2.gz YUUASWOEUDUHCP-UHFFFAOYSA-N 1 0 386.525 2.685 20 0 GFADRO O=C(Cc1ccccc1)N1CCC[C@H](C(=O)Nc2c[nH+]ccc2-n2ccnc2)C1 ZINC000359866484 206266292 /nfs/dbraw/zinc/26/62/92/206266292.db2.gz IAUXBGCYOSJBAD-SFHVURJKSA-N 1 0 389.459 2.687 20 0 GFADRO COCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](Cc2nc(-c3cccc(Cl)c3)no2)C1 ZINC000359927771 206271340 /nfs/dbraw/zinc/27/13/40/206271340.db2.gz NSWPOQVPQOKDNH-HIFRSBDPSA-N 1 0 392.887 2.753 20 0 GFADRO COCc1noc(-c2cccc(NC(=O)N3CC[NH+](C4CCC4)CC3)c2C)n1 ZINC000359977695 206276237 /nfs/dbraw/zinc/27/62/37/206276237.db2.gz LCFTXVNAHGHWGS-UHFFFAOYSA-N 1 0 385.468 2.893 20 0 GFADRO O=C(c1ccc(Cl)cc1)N1CCCN(C(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC000077929294 208056307 /nfs/dbraw/zinc/05/63/07/208056307.db2.gz LBHJDLWKHSOKBD-UHFFFAOYSA-N 1 0 382.851 2.976 20 0 GFADRO O=C(N[C@@H]1CC[NH2+]C12CCCC2)c1ccc(F)cc1I ZINC000401430532 563535549 /nfs/dbraw/zinc/53/55/49/563535549.db2.gz FNQMBBQRUFYMKL-CYBMUJFWSA-N 1 0 388.224 2.835 20 0 GFADRO O[C@@]1(CC[NH2+]Cc2cc(Cl)ccc2I)CCOC1 ZINC000405321404 563538910 /nfs/dbraw/zinc/53/89/10/563538910.db2.gz ZKSWVCRFAPDQGJ-ZDUSSCGKSA-N 1 0 381.641 2.576 20 0 GFADRO CN(C)C(=O)[C@@H]1CC[N@H+](Cc2ccc(OC(F)F)c(Br)c2)C1 ZINC000414505397 563745364 /nfs/dbraw/zinc/74/53/64/563745364.db2.gz ZYRSIUJVAAQQJZ-LLVKDONJSA-N 1 0 377.229 2.961 20 0 GFADRO Nc1cc(N)[nH+]c(SCc2nnc(-c3ccccc3Br)o2)n1 ZINC000005198502 551097172 /nfs/dbraw/zinc/09/71/72/551097172.db2.gz XANIKNFJBWYRFL-UHFFFAOYSA-N 1 0 379.243 2.746 20 0 GFADRO C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)Nc1ccccc1I ZINC000414667221 563749404 /nfs/dbraw/zinc/74/94/04/563749404.db2.gz XVJJEAUCJDUSNM-BXKDBHETSA-N 1 0 389.237 2.526 20 0 GFADRO CCCC1N=NC(=S)N1CC(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000027606387 551123366 /nfs/dbraw/zinc/12/33/66/551123366.db2.gz KWDVUINWSBCRIJ-CYBMUJFWSA-N 1 0 379.555 2.534 20 0 GFADRO CC[NH+]1CCC(NC(=O)CNC(=O)c2sc3ccccc3c2Cl)CC1 ZINC000029607598 551127209 /nfs/dbraw/zinc/12/72/09/551127209.db2.gz HYSLTSPQVGDVCC-UHFFFAOYSA-N 1 0 379.913 2.885 20 0 GFADRO CCC[NH+]1CCC(NS(=O)(=O)c2ccc(F)cc2Br)CC1 ZINC000040446077 551134375 /nfs/dbraw/zinc/13/43/75/551134375.db2.gz CUETYRDGEDFFFT-UHFFFAOYSA-N 1 0 379.295 2.741 20 0 GFADRO CC(C)C[C@H](CNC(=O)C(=O)Nc1ccc(F)cc1Br)[NH+](C)C ZINC000041321999 551135225 /nfs/dbraw/zinc/13/52/25/551135225.db2.gz BNDAFGAKILWULN-GFCCVEGCSA-N 1 0 388.281 2.619 20 0 GFADRO CSCC[C@@H](NC(=O)c1ccccc1Cl)C(=O)NCC(C)(C)[NH+](C)C ZINC000042158457 551138664 /nfs/dbraw/zinc/13/86/64/551138664.db2.gz RHCQOFSHDIWGCS-OAHLLOKOSA-N 1 0 385.961 2.648 20 0 GFADRO CC(C)[C@@H](CNC(=O)c1ccc(F)cc1Br)[NH+]1CCN(C)CC1 ZINC000042579789 551139751 /nfs/dbraw/zinc/13/97/51/551139751.db2.gz WGRQZAFYYPVGME-MRXNPFEDSA-N 1 0 386.309 2.590 20 0 GFADRO CC(C)[NH+]1CCN([C@@H](C)C(=O)N(C)Cc2ccc(Br)cc2)CC1 ZINC000045779715 551147814 /nfs/dbraw/zinc/14/78/14/551147814.db2.gz JRHDPSPPJHSCIN-HNNXBMFYSA-N 1 0 382.346 2.822 20 0 GFADRO C[NH+]1CCC(NC(=O)c2ccc(Cl)c(I)c2)CC1 ZINC000047773648 551153616 /nfs/dbraw/zinc/15/36/16/551153616.db2.gz FPZPOQYVHWSAFU-UHFFFAOYSA-N 1 0 378.641 2.769 20 0 GFADRO CN(Cc1ccc(Cl)s1)C(=O)C[N@@H+]1CCC[C@@H](C(=O)NCC2CC2)C1 ZINC000047980263 551155162 /nfs/dbraw/zinc/15/51/62/551155162.db2.gz QXLIIKGKJDRUCU-CQSZACIVSA-N 1 0 383.945 2.598 20 0 GFADRO NC(=O)CC1CC[NH+](CCC(=O)Nc2ccc(Br)cc2F)CC1 ZINC000048026883 551155370 /nfs/dbraw/zinc/15/53/70/551155370.db2.gz BVENADZDTKHDMG-UHFFFAOYSA-N 1 0 386.265 2.504 20 0 GFADRO C[C@@H](CNS(=O)(=O)c1ccc(Br)s1)C[NH+]1CCCCC1 ZINC000048440418 551156598 /nfs/dbraw/zinc/15/65/98/551156598.db2.gz OEVUGWIMIYTVHA-NSHDSACASA-N 1 0 381.361 2.911 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)C(=O)Nc1cccc(Br)c1 ZINC000049131529 551158117 /nfs/dbraw/zinc/15/81/17/551158117.db2.gz TWLLVEQEOUZYSN-CYBMUJFWSA-N 1 0 382.302 2.768 20 0 GFADRO CC[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(F)cc2I)C1 ZINC000049520057 551159085 /nfs/dbraw/zinc/15/90/85/551159085.db2.gz BDYSVECRDNWWKG-NSHDSACASA-N 1 0 390.240 2.892 20 0 GFADRO CCC[N@@H+]1CC[C@@H](CNC(=O)N2CCN(Cc3ccc(Cl)s3)CC2)C1 ZINC000054510161 551169199 /nfs/dbraw/zinc/16/91/99/551169199.db2.gz FPBSTFHVKMIZEJ-HNNXBMFYSA-N 1 0 384.977 2.961 20 0 GFADRO COc1cc(C(=O)N2CC[NH+](CC3CC3)CC2)cc(OC)c1Br ZINC000055669360 551174474 /nfs/dbraw/zinc/17/44/74/551174474.db2.gz MFMTWXJTAUOXLM-UHFFFAOYSA-N 1 0 383.286 2.634 20 0 GFADRO CCn1c(SCC(=O)NC[C@H](C2CC2)[NH+](C)C)nnc1-c1cccs1 ZINC000055718641 551175036 /nfs/dbraw/zinc/17/50/36/551175036.db2.gz OFODKGPMPQJCEX-CYBMUJFWSA-N 1 0 379.555 2.575 20 0 GFADRO C[NH+]1CCN(c2ncccc2CNC(=O)c2sccc2Br)CC1 ZINC000066343471 551187005 /nfs/dbraw/zinc/18/70/05/551187005.db2.gz CAEBQCKUWLKBIV-UHFFFAOYSA-N 1 0 395.326 2.587 20 0 GFADRO O=C(NC1CC[NH+](C[C@@H](O)COCc2cccs2)CC1)c1ccsc1 ZINC000067460529 551188934 /nfs/dbraw/zinc/18/89/34/551188934.db2.gz OOOZRJZLUXFMPK-MRXNPFEDSA-N 1 0 380.535 2.582 20 0 GFADRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)Nc1ccc(Br)cc1 ZINC000067439526 551188955 /nfs/dbraw/zinc/18/89/55/551188955.db2.gz ZIXSMAMHAVAIDM-MGPQQGTHSA-N 1 0 396.329 2.870 20 0 GFADRO COc1cc(C[NH2+]Cc2ccc(Br)cc2F)ccc1OCC(N)=O ZINC000067452205 551189072 /nfs/dbraw/zinc/18/90/72/551189072.db2.gz PZVIHFFVEVZIMG-UHFFFAOYSA-N 1 0 397.244 2.751 20 0 GFADRO COc1cccc(OC)c1OC[C@H](O)C[NH2+]Cc1cccc(Br)c1 ZINC000067976962 551190825 /nfs/dbraw/zinc/19/08/25/551190825.db2.gz JWZBZNRPXAWTTC-OAHLLOKOSA-N 1 0 396.281 2.996 20 0 GFADRO C[C@@H](C(=O)NCCNC(=O)c1cccc(Br)c1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000101670033 551197544 /nfs/dbraw/zinc/19/75/44/551197544.db2.gz JPAAFOVRYBGSIQ-MJBXVCDLSA-N 1 0 396.329 2.556 20 0 GFADRO CC(C)[C@H](C(=O)N1CCN(C(=O)c2cccc(Cl)c2Cl)CC1)[NH+](C)C ZINC000106458984 551199823 /nfs/dbraw/zinc/19/98/23/551199823.db2.gz IDYHURVIAHGNIQ-MRXNPFEDSA-N 1 0 386.323 2.864 20 0 GFADRO COCC[NH+]1CCC(NC(=O)N(C)CCc2ccc(Br)cc2)CC1 ZINC000106546324 551200623 /nfs/dbraw/zinc/20/06/23/551200623.db2.gz NFHYBMPGFZZKLS-UHFFFAOYSA-N 1 0 398.345 2.744 20 0 GFADRO C[NH+]1CCN(c2cc(C(=O)NCc3ccccc3Br)ccn2)CC1 ZINC000112272536 551205669 /nfs/dbraw/zinc/20/56/69/551205669.db2.gz ULITUUNEMDQISX-UHFFFAOYSA-N 1 0 389.297 2.526 20 0 GFADRO C[NH+](C)C1(CNC(=O)C(C)(C)c2ccc(Br)cc2)CCOCC1 ZINC000114055197 551208721 /nfs/dbraw/zinc/20/87/21/551208721.db2.gz VAXJSUHTTQWPAD-UHFFFAOYSA-N 1 0 383.330 2.954 20 0 GFADRO CC[NH+]1CCN([C@H]2CCN(C(=O)c3cccc(C)c3Br)C2)CC1 ZINC000119150056 551215636 /nfs/dbraw/zinc/21/56/36/551215636.db2.gz KNGVCKRIEWWFCQ-HNNXBMFYSA-N 1 0 380.330 2.610 20 0 GFADRO COc1ccc(Br)cc1CNC(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000120381094 551220631 /nfs/dbraw/zinc/22/06/31/551220631.db2.gz USDKUZKRYAPWSU-CYBMUJFWSA-N 1 0 384.318 2.989 20 0 GFADRO COc1cc(C(=O)N(C)[C@H]2CC[N@H+](C)C[C@@H]2C)cc(OC)c1Br ZINC000120790876 551222126 /nfs/dbraw/zinc/22/21/26/551222126.db2.gz DWODQHOMAOTMLW-AAEUAGOBSA-N 1 0 385.302 2.879 20 0 GFADRO CCN1CC[NH+](C[C@H](C)CNC(=O)c2ccc(Br)c(C)c2)CC1 ZINC000121065868 551226379 /nfs/dbraw/zinc/22/63/79/551226379.db2.gz MHLWGUUCSDFGRG-CQSZACIVSA-N 1 0 382.346 2.761 20 0 GFADRO CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)Nc2cccc(C)c2Br)C1 ZINC000121085111 551226873 /nfs/dbraw/zinc/22/68/73/551226873.db2.gz TZFUWTVGHVEZDT-ZDUSSCGKSA-N 1 0 382.302 2.639 20 0 GFADRO Cc1cccc(NC(=O)C(=O)NCC2(C[NH+](C)C)CCCC2)c1Br ZINC000121209149 551229614 /nfs/dbraw/zinc/22/96/14/551229614.db2.gz UEOSRGHCVMWOMI-UHFFFAOYSA-N 1 0 396.329 2.934 20 0 GFADRO C[NH+](C)CC(C)(C)CNC(=O)c1ccc(S(=O)(=O)c2ccccc2)s1 ZINC000121463874 551234834 /nfs/dbraw/zinc/23/48/34/551234834.db2.gz RSWRBYKHMIXFBP-UHFFFAOYSA-N 1 0 380.535 2.899 20 0 GFADRO C[C@@H]1CCC[N@@H+]1C1CCN(C(=O)C(=O)Nc2ccc(Br)cc2)CC1 ZINC000121765286 551242039 /nfs/dbraw/zinc/24/20/39/551242039.db2.gz PMRNHIGGCJUCOG-CYBMUJFWSA-N 1 0 394.313 2.863 20 0 GFADRO CC(C)c1cc(Br)ccc1NC(=O)C(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000121879575 551244750 /nfs/dbraw/zinc/24/47/50/551244750.db2.gz CXSOBKSYXQFGMX-CYBMUJFWSA-N 1 0 396.329 2.921 20 0 GFADRO Cc1sc(Br)cc1S(=O)(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000122363650 551297074 /nfs/dbraw/zinc/29/70/74/551297074.db2.gz BCVFTZVUHXWHMQ-SNVBAGLBSA-N 1 0 381.361 2.972 20 0 GFADRO C[NH+](C)C[C@@H]1CCN(C(=O)c2cc(F)c(F)cc2I)C1 ZINC000123123575 551303132 /nfs/dbraw/zinc/30/31/32/551303132.db2.gz LYWAJPLNLSELCV-VIFPVBQESA-N 1 0 394.203 2.593 20 0 GFADRO Cc1c(Br)cccc1NC(=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000123312170 551305172 /nfs/dbraw/zinc/30/51/72/551305172.db2.gz KEDMHNWUKAFCBO-CQSZACIVSA-N 1 0 394.313 2.640 20 0 GFADRO COC[C@](C)(CC(=O)OC)[NH2+]CC(=O)N[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000123353521 551305531 /nfs/dbraw/zinc/30/55/31/551305531.db2.gz MEXPXNDOLHJSAR-GTNSWQLSSA-N 1 0 391.295 2.728 20 0 GFADRO C[NH2+]CCC1CCN(S(=O)(=O)c2cc(C)c(Br)s2)CC1 ZINC000123639743 551307738 /nfs/dbraw/zinc/30/77/38/551307738.db2.gz JYVYTSBXYKYDER-UHFFFAOYSA-N 1 0 381.361 2.829 20 0 GFADRO Cc1cc(S(=O)(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)sc1Br ZINC000123637183 551307846 /nfs/dbraw/zinc/30/78/46/551307846.db2.gz HMSSGNXGOUHWEG-GFCCVEGCSA-N 1 0 393.372 2.972 20 0 GFADRO C[C@@H](Cn1cc(Br)cn1)[NH2+][C@H]1CCN(C(=O)C2CCCCC2)C1 ZINC000123850402 551308764 /nfs/dbraw/zinc/30/87/64/551308764.db2.gz BSBMDKYWZCPEBL-BBRMVZONSA-N 1 0 383.334 2.805 20 0 GFADRO Cc1sc(C(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)cc1CS(C)(=O)=O ZINC000124279277 551313180 /nfs/dbraw/zinc/31/31/80/551313180.db2.gz SKHIJUVGMHFFNO-CQSZACIVSA-N 1 0 386.583 2.843 20 0 GFADRO O=C(c1cnccn1)N1CCC([NH2+]Cc2ccc(Br)cc2F)CC1 ZINC000124639612 551316288 /nfs/dbraw/zinc/31/62/88/551316288.db2.gz UZVYCDFDEKQNRE-UHFFFAOYSA-N 1 0 393.260 2.773 20 0 GFADRO Cc1ccc(Br)cc1C(=O)NC[C@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000124825025 551317942 /nfs/dbraw/zinc/31/79/42/551317942.db2.gz DZCITFUQSVVHDH-QGZVFWFLSA-N 1 0 382.346 2.759 20 0 GFADRO COc1cc(CNC(=O)c2coc(Br)c2)ccc1OCC[NH+](C)C ZINC000125497760 551321804 /nfs/dbraw/zinc/32/18/04/551321804.db2.gz LXAGYGLKRPVHQS-UHFFFAOYSA-N 1 0 397.269 2.921 20 0 GFADRO C[C@H]1CCC[N@@H+]1C1CCN(C(=O)c2cc(S(C)(=O)=O)ccc2Cl)CC1 ZINC000125502008 551321974 /nfs/dbraw/zinc/32/19/74/551321974.db2.gz JMYGXRQUHWJSTC-ZDUSSCGKSA-N 1 0 384.929 2.832 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)C[N@@H+]1CCCC[C@H]1[C@H]1CNC(=O)C1 ZINC000125671601 551322586 /nfs/dbraw/zinc/32/25/86/551322586.db2.gz CVRDTNSRDQREOH-CJNGLKHVSA-N 1 0 394.313 2.687 20 0 GFADRO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@H](C(N)=O)c1ccccc1 ZINC000126122638 551326307 /nfs/dbraw/zinc/32/63/07/551326307.db2.gz LQMMVDDPBONWJC-PXAZEXFGSA-N 1 0 390.281 2.982 20 0 GFADRO O=C(CCCCCc1ccc(I)cc1)N[C@H]1CC[NH2+]C1 ZINC000126330422 551328527 /nfs/dbraw/zinc/32/85/27/551328527.db2.gz FHLPSIVVBHWQFI-HNNXBMFYSA-N 1 0 386.277 2.872 20 0 GFADRO C[C@@H](CCS(C)(=O)=O)[NH2+][C@@H](C)CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000127146474 551337156 /nfs/dbraw/zinc/33/71/56/551337156.db2.gz APXHQVLRUWBBGC-RYUDHWBXSA-N 1 0 380.432 2.835 20 0 GFADRO C[C@@H]([NH2+]CCc1ccc(S(=O)(=O)N2CCCCC2)s1)c1cnccn1 ZINC000127156648 551337854 /nfs/dbraw/zinc/33/78/54/551337854.db2.gz BPYWIUPWNJXFKI-CQSZACIVSA-N 1 0 380.539 2.606 20 0 GFADRO COc1cc[nH+]c(N2CCN(S(=O)(=O)c3cc(C)ccc3Cl)CC2)c1 ZINC000127256811 551338663 /nfs/dbraw/zinc/33/86/63/551338663.db2.gz MOQBLLRATQWPGW-UHFFFAOYSA-N 1 0 381.885 2.563 20 0 GFADRO O=C(Nc1ccc(Br)nc1)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000127240914 551339009 /nfs/dbraw/zinc/33/90/09/551339009.db2.gz SKJWMUVAWMAUJM-LSDHHAIUSA-N 1 0 397.317 2.734 20 0 GFADRO CN1CCC([NH+]2CCC(NC(=O)c3cc(Cl)c(N)c(Cl)c3)CC2)CC1 ZINC000127456296 551340871 /nfs/dbraw/zinc/34/08/71/551340871.db2.gz RLLDPGNXJQVXGV-UHFFFAOYSA-N 1 0 385.339 2.864 20 0 GFADRO O=C(Cc1cccc(I)c1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000128271732 551347988 /nfs/dbraw/zinc/34/79/88/551347988.db2.gz MATGBYUYYDPFLV-OAHLLOKOSA-N 1 0 398.288 2.778 20 0 GFADRO CCN(CCC[NH2+][C@H]1CCc2c1cc(Br)cc2F)S(C)(=O)=O ZINC000128285956 551348646 /nfs/dbraw/zinc/34/86/46/551348646.db2.gz AARFJQYWIPSPBY-HNNXBMFYSA-N 1 0 393.322 2.837 20 0 GFADRO Cc1c(Br)cccc1NC(=O)C(=O)NCCC1CC[NH+](C)CC1 ZINC000128998301 551354718 /nfs/dbraw/zinc/35/47/18/551354718.db2.gz GAJAJNBTRGZUKO-UHFFFAOYSA-N 1 0 382.302 2.544 20 0 GFADRO C[C@@H](C(=O)Nc1cccc(Cl)c1Cl)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000129311296 551356169 /nfs/dbraw/zinc/35/61/69/551356169.db2.gz WUJPRJJBZJLUIM-UONOGXRCSA-N 1 0 386.323 2.975 20 0 GFADRO OCC1(C[NH2+]Cc2nc(-c3ccc(Br)cc3)c[nH]2)CCOCC1 ZINC000130141369 551362291 /nfs/dbraw/zinc/36/22/91/551362291.db2.gz KTRZHUDVRTYBGB-UHFFFAOYSA-N 1 0 380.286 2.718 20 0 GFADRO Cc1cc(COc2ccc(C(=O)NCC[NH+](C)C)cc2Br)no1 ZINC000130494096 551365341 /nfs/dbraw/zinc/36/53/41/551365341.db2.gz NUEJADQHIQDZKU-UHFFFAOYSA-N 1 0 382.258 2.616 20 0 GFADRO C[C@]1(n2cc(C[NH2+][C@@H]3CCCC[C@@H]3C(F)(F)F)cn2)CCS(=O)(=O)C1 ZINC000130532613 551365978 /nfs/dbraw/zinc/36/59/78/551365978.db2.gz ZMOMLSIMKMFTOQ-ZNMIVQPWSA-N 1 0 379.448 2.628 20 0 GFADRO COCC[C@@H](Cc1cccc(Br)c1)C(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000131812967 551375978 /nfs/dbraw/zinc/37/59/78/551375978.db2.gz HTZARLVVKXDLLM-CVEARBPZSA-N 1 0 383.330 2.712 20 0 GFADRO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)CCCc2ccc(Cl)c(Cl)c2)C1 ZINC000132090927 551376653 /nfs/dbraw/zinc/37/66/53/551376653.db2.gz YIMMNCDXLKEDBK-CQSZACIVSA-N 1 0 386.323 2.630 20 0 GFADRO C[NH+](C)CCCC1CCN(C(=O)c2cc(I)c[nH]2)CC1 ZINC000133175855 551382539 /nfs/dbraw/zinc/38/25/39/551382539.db2.gz XUOHIHLSRARVOW-UHFFFAOYSA-N 1 0 389.281 2.813 20 0 GFADRO O=C(C[C@@H]1CSCC[NH2+]1)N[C@@H]1CCCN(Cc2ccc(F)cc2Cl)C1 ZINC000133811235 551384306 /nfs/dbraw/zinc/38/43/06/551384306.db2.gz FYCFRXJVGNRSBM-HZPDHXFCSA-N 1 0 385.936 2.655 20 0 GFADRO O=S(=O)(Cc1ccon1)NCC[NH2+][C@@H]1CCc2cc(Cl)cc(Cl)c21 ZINC000134431220 551385099 /nfs/dbraw/zinc/38/50/99/551385099.db2.gz FQVMJCJULNTJGD-CQSZACIVSA-N 1 0 390.292 2.678 20 0 GFADRO Cn1cc(NC(=O)NC[C@H](c2cccs2)[NH+](C)C)cc(Br)c1=O ZINC000136660565 551389621 /nfs/dbraw/zinc/38/96/21/551389621.db2.gz BDSXHPWGJAUTEE-GFCCVEGCSA-N 1 0 399.314 2.634 20 0 GFADRO CN(C1CCN(CCOc2c(Cl)cccc2Cl)CC1)S(C)(=O)=O ZINC000143371112 551395329 /nfs/dbraw/zinc/39/53/29/551395329.db2.gz YDHOYUSDLCNWLQ-UHFFFAOYSA-N 1 0 381.325 2.728 20 0 GFADRO COCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](Cc2cc(Br)ccc2OC)C1 ZINC000144265904 551395866 /nfs/dbraw/zinc/39/58/66/551395866.db2.gz SMSDFWXDEHMQSV-UONOGXRCSA-N 1 0 399.329 2.821 20 0 GFADRO O=C(CN1CC[C@@H](C[NH+]2CCCC2)C1)Nc1ccc(Br)cc1F ZINC000150860044 551402367 /nfs/dbraw/zinc/40/23/67/551402367.db2.gz WFSLTNCTWGPLAE-ZDUSSCGKSA-N 1 0 384.293 2.944 20 0 GFADRO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)CSc1nncs1 ZINC000150897124 551403270 /nfs/dbraw/zinc/40/32/70/551403270.db2.gz TYQACOGVWIFKKK-KBPBESRZSA-N 1 0 376.551 2.903 20 0 GFADRO C[C@H]1C[C@@H](NC(=O)Cc2cc3c(cc2Br)OCCO3)C[N@@H+]1C1CC1 ZINC000151311865 551411564 /nfs/dbraw/zinc/41/15/64/551411564.db2.gz UNBFWVICWKYQAB-WCQYABFASA-N 1 0 395.297 2.504 20 0 GFADRO C[C@@H]([NH2+]CCCN1CCC(O)CC1)c1ccc(I)cc1 ZINC000151376883 551412449 /nfs/dbraw/zinc/41/24/49/551412449.db2.gz MNCPPKFGZSGENN-CYBMUJFWSA-N 1 0 388.293 2.789 20 0 GFADRO CNC(=O)CN1CCC([NH2+][C@H]2CCSc3ccc(Br)cc32)CC1 ZINC000151996538 551424330 /nfs/dbraw/zinc/42/43/30/551424330.db2.gz KZLHWEVZDXCGKF-HNNXBMFYSA-N 1 0 398.370 2.786 20 0 GFADRO O=S(=O)(c1ccc(C[NH2+][C@H]2CCC[C@H](C3CC3)C2)s1)N1CCOCC1 ZINC000152148286 551427011 /nfs/dbraw/zinc/42/70/11/551427011.db2.gz DMZRICHCYWUQGM-HOTGVXAUSA-N 1 0 384.567 2.827 20 0 GFADRO C[NH+]1CCC(CNC(=O)c2cc(F)c(F)cc2I)CC1 ZINC000152277796 551429859 /nfs/dbraw/zinc/42/98/59/551429859.db2.gz YHQXXXBCISQCCK-UHFFFAOYSA-N 1 0 394.203 2.641 20 0 GFADRO O=C(C[NH2+]CC1CC1)NCC1(c2cccc(Br)c2)CCOCC1 ZINC000152329145 551431020 /nfs/dbraw/zinc/43/10/20/551431020.db2.gz JEAGRODNVSJJAV-UHFFFAOYSA-N 1 0 381.314 2.613 20 0 GFADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)CCC(=O)c1cc(Cl)sc1Cl ZINC000152666321 551437485 /nfs/dbraw/zinc/43/74/85/551437485.db2.gz QRDLDNOKNFWKOE-NSHDSACASA-N 1 0 392.352 2.770 20 0 GFADRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2S(=O)(=O)c2ccccc2OC(F)(F)F)C1 ZINC000152855059 551441030 /nfs/dbraw/zinc/44/10/30/551441030.db2.gz QXUZHEGEDHJWDG-CHWSQXEVSA-N 1 0 378.416 2.690 20 0 GFADRO O=C(NCC[C@H]1CCC[NH2+]C1)c1[nH]nc(-c2ccccc2)c1Br ZINC000152840651 551441037 /nfs/dbraw/zinc/44/10/37/551441037.db2.gz GDRYHVBXEUGKLO-GFCCVEGCSA-N 1 0 377.286 2.959 20 0 GFADRO CCSCC[C@H](C)[NH2+][C@@H](C)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000152862847 551441385 /nfs/dbraw/zinc/44/13/85/551441385.db2.gz BPIMUNKOQRGNMK-HOTGVXAUSA-N 1 0 386.583 2.890 20 0 GFADRO CN(Cc1c(F)cccc1Cl)S(=O)(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000152881897 551441480 /nfs/dbraw/zinc/44/14/80/551441480.db2.gz NUEFMFYXNOOFOS-DYVFJYSZSA-N 1 0 389.924 2.572 20 0 GFADRO C[N@@H+]1CC[C@H]2[C@H](CCCN2S(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)C1 ZINC000152924384 551442874 /nfs/dbraw/zinc/44/28/74/551442874.db2.gz VKIAPCHBDPKBRI-ABAIWWIYSA-N 1 0 380.407 2.949 20 0 GFADRO CC(C)OC[C@H](O)C[NH+]1CCN(CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000153283532 551449420 /nfs/dbraw/zinc/44/94/20/551449420.db2.gz PRFGTGQCPKAUDM-MRXNPFEDSA-N 1 0 375.340 2.939 20 0 GFADRO Cc1ccc(CNC(=O)C[N@@H+](C)[C@H]2CCSC2)c(OCC(F)(F)F)c1 ZINC000153523660 551454793 /nfs/dbraw/zinc/45/47/93/551454793.db2.gz KABGOADNMQZCDX-AWEZNQCLSA-N 1 0 376.444 2.990 20 0 GFADRO CC[NH+]1CCC(CCNC(=O)C(=O)Nc2cc(C)ccc2Br)CC1 ZINC000153849483 551461687 /nfs/dbraw/zinc/46/16/87/551461687.db2.gz BDGRFCHGFRRNBW-UHFFFAOYSA-N 1 0 396.329 2.934 20 0 GFADRO CN(C(=O)C1CCN(C(=O)c2ccc(Cl)s2)CC1)[C@H]1CCC[N@H+](C)C1 ZINC000153936617 551463471 /nfs/dbraw/zinc/46/34/71/551463471.db2.gz KFSYRPBJYODARL-AWEZNQCLSA-N 1 0 383.945 2.806 20 0 GFADRO COc1cc(OC)c(NC(=O)[C@H]2CCn3ccnc3C2)cc1Br ZINC000154239533 551470423 /nfs/dbraw/zinc/47/04/23/551470423.db2.gz ZGYUMYCYSBZZPB-JTQLQIEISA-N 1 0 380.242 2.864 20 0 GFADRO Cc1cc(C(=O)N2CC[C@H]([NH3+])C[C@H]2C)nn1-c1ccc(Br)cc1 ZINC000154277464 551470773 /nfs/dbraw/zinc/47/07/73/551470773.db2.gz HXVRHEZSPWPWMT-RISCZKNCSA-N 1 0 377.286 2.895 20 0 GFADRO C[C@@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH2+]C[C@@H](O)CN(C)C ZINC000154345469 551472848 /nfs/dbraw/zinc/47/28/48/551472848.db2.gz JDYTUCUMVQKHLX-CMPLNLGQSA-N 1 0 381.826 2.588 20 0 GFADRO O=C(C[C@H]1CCC[NH2+]1)N1CCC(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000154385806 551473807 /nfs/dbraw/zinc/47/38/07/551473807.db2.gz FPZQSJPOYQTOCH-MRXNPFEDSA-N 1 0 394.313 2.768 20 0 GFADRO CC[N@H+](Cc1ccc(Cl)c(Cl)c1)[C@H](C)C(=O)N1CCN(C(C)=O)CC1 ZINC000154412365 551474586 /nfs/dbraw/zinc/47/45/86/551474586.db2.gz ASBXVCFHMZUJTE-CYBMUJFWSA-N 1 0 386.323 2.895 20 0 GFADRO CN1CCO[C@H](C(=O)Nc2nc(-c3ccccc3)c(Br)s2)C1 ZINC000154618925 551479616 /nfs/dbraw/zinc/47/96/16/551479616.db2.gz BGVMCUQIRWMIPF-NSHDSACASA-N 1 0 382.283 2.842 20 0 GFADRO OCCCOC1CC[NH+](C[C@@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000154829671 551483657 /nfs/dbraw/zinc/48/36/57/551483657.db2.gz HCFSUWGJYDTJCX-CYBMUJFWSA-N 1 0 378.296 2.597 20 0 GFADRO COCC[N@H+](C)CCNC(=O)N(C)CC1(c2ccc(Br)cc2)CC1 ZINC000154851034 551484106 /nfs/dbraw/zinc/48/41/06/551484106.db2.gz AKABLBLDPAGAEY-UHFFFAOYSA-N 1 0 398.345 2.700 20 0 GFADRO CC[NH+](CC)CCCNC(=O)C(=O)Nc1ccc(Cl)cc1Br ZINC000155049631 551489627 /nfs/dbraw/zinc/48/96/27/551489627.db2.gz VGKRAEXWMYQWDM-UHFFFAOYSA-N 1 0 390.709 2.889 20 0 GFADRO C[N@@H+]1CCC[C@@H](CNC(=O)CNCC(F)(F)F)[C@@H]1c1cccc(Cl)c1 ZINC000155198790 551493976 /nfs/dbraw/zinc/49/39/76/551493976.db2.gz NBLNHRFHDFYDBX-BBRMVZONSA-N 1 0 377.838 2.991 20 0 GFADRO C[C@@H](CNS(=O)(=O)c1cc(F)ccc1Br)C[NH+]1CCCC1 ZINC000155390123 551499074 /nfs/dbraw/zinc/49/90/74/551499074.db2.gz YAUADXGLOZXUJN-NSHDSACASA-N 1 0 379.295 2.598 20 0 GFADRO COCC[N@H+](C)CCNC(=O)c1ccc(Br)cc1Br ZINC000155602845 551503449 /nfs/dbraw/zinc/50/34/49/551503449.db2.gz OMJVEHKRXPEDKF-UHFFFAOYSA-N 1 0 394.107 2.520 20 0 GFADRO [NH3+][C@H](Cc1ccccc1)C(=O)N1CCO[C@@H](c2cccc(Br)c2)C1 ZINC000156169862 551516551 /nfs/dbraw/zinc/51/65/51/551516551.db2.gz RDMYIXWECOQMAI-QZTJIDSGSA-N 1 0 389.293 2.919 20 0 GFADRO CCC[NH+](CCC)CCCNC(=O)Nc1cc(Br)c(=O)n(C)c1 ZINC000156210147 551517220 /nfs/dbraw/zinc/51/72/20/551517220.db2.gz NDYXWDILCKRPAC-UHFFFAOYSA-N 1 0 387.322 2.781 20 0 GFADRO CC(=O)N1CC[C@@H](C[N@@H+](C)CC(=O)N(C)Cc2ccc(Cl)c(Cl)c2)C1 ZINC000156383988 551521862 /nfs/dbraw/zinc/52/18/62/551521862.db2.gz ZTVXSKYSSFOKNF-HNNXBMFYSA-N 1 0 386.323 2.752 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000156436443 551523036 /nfs/dbraw/zinc/52/30/36/551523036.db2.gz USNJNGBLZYBJJO-CYBMUJFWSA-N 1 0 377.286 2.641 20 0 GFADRO CC(=O)N1CC[C@H](C[N@H+](C)CC[S@@](=O)c2cc(Cl)ccc2Cl)C1 ZINC000156657902 551526568 /nfs/dbraw/zinc/52/65/68/551526568.db2.gz AHCZUUIFDWOUKH-ZLOXQWCVSA-N 1 0 377.337 2.901 20 0 GFADRO Cc1cc(Br)cc2cc(C(=O)NC[C@@H](C)N3CC[NH+](C)CC3)oc21 ZINC000157165861 551534483 /nfs/dbraw/zinc/53/44/83/551534483.db2.gz FXWGJWJSNINMNY-CYBMUJFWSA-N 1 0 394.313 2.869 20 0 GFADRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CNC(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000157330385 551536957 /nfs/dbraw/zinc/53/69/57/551536957.db2.gz JFLQWYDHLUHBRX-CZUORRHYSA-N 1 0 384.307 2.666 20 0 GFADRO CCCC[N@H+](C)CCNS(=O)(=O)c1c2ccccc2sc1C(=O)OC ZINC000157511728 551538501 /nfs/dbraw/zinc/53/85/01/551538501.db2.gz YAXHGCWADITYAH-UHFFFAOYSA-N 1 0 384.523 2.698 20 0 GFADRO CC(C)C[C@@](C)(C[NH3+])NC(=O)[C@H]1CCN(c2ccccc2Br)C1=O ZINC000157509999 551538665 /nfs/dbraw/zinc/53/86/65/551538665.db2.gz KEXKXXDZZRCRJH-ACJLOTCBSA-N 1 0 396.329 2.682 20 0 GFADRO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]C[C@@](C)(O)c2ccccc2Cl)cc1 ZINC000157557714 551539370 /nfs/dbraw/zinc/53/93/70/551539370.db2.gz VQIGRFVJJCUBOS-FZKQIMNGSA-N 1 0 382.913 2.806 20 0 GFADRO COC(=O)Cc1csc(NC(=O)C[NH2+]C(C)(C)c2cccc(Cl)c2)n1 ZINC000157700820 551541658 /nfs/dbraw/zinc/54/16/58/551541658.db2.gz DJWOFFASZKWVIP-UHFFFAOYSA-N 1 0 381.885 2.975 20 0 GFADRO CC[C@H](Cc1ccccc1Br)C(=O)N[C@H](C)[C@@H]1CN(C)CCO1 ZINC000157952166 551545259 /nfs/dbraw/zinc/54/52/59/551545259.db2.gz DVHHNYIRMAWPQQ-CPUCHLNUSA-N 1 0 383.330 2.853 20 0 GFADRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2ccc(F)c(I)c2)C1 ZINC000158129723 551547426 /nfs/dbraw/zinc/54/74/26/551547426.db2.gz IABBOXNGPYCGEN-LLVKDONJSA-N 1 0 390.240 2.844 20 0 GFADRO [NH3+][C@H]1CCCN(C(=O)c2cccn2-c2ccc(I)cc2)C1 ZINC000158165678 551547791 /nfs/dbraw/zinc/54/77/91/551547791.db2.gz JBJIZVPIHXRTKI-ZDUSSCGKSA-N 1 0 395.244 2.645 20 0 GFADRO CC(=O)NCCNC(=O)N(CCC[NH+](C)C)Cc1ccc(Cl)c(Cl)c1 ZINC000158395257 551551132 /nfs/dbraw/zinc/55/11/32/551551132.db2.gz LJRYYYQWFWYCJT-UHFFFAOYSA-N 1 0 389.327 2.593 20 0 GFADRO [NH3+]C[C@H]1CCCC[C@H]1NC(=O)C1CCN(C(=O)c2ccc(Cl)s2)CC1 ZINC000158496862 551552818 /nfs/dbraw/zinc/55/28/18/551552818.db2.gz XFTSMHZFEGHYKK-ZIAGYGMSSA-N 1 0 383.945 2.887 20 0 GFADRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)Nc1cc(F)c(F)cc1I ZINC000415244334 563763607 /nfs/dbraw/zinc/76/36/07/563763607.db2.gz XPWNXPJTRLKEOU-HTQZYQBOSA-N 1 0 395.191 2.770 20 0 GFADRO C[NH2+]C[C@@H]1CCCN(C(=O)c2ccc(I)c(F)c2)C1 ZINC000159073068 551560644 /nfs/dbraw/zinc/56/06/44/551560644.db2.gz PPPYBDJESVAOTL-JTQLQIEISA-N 1 0 376.213 2.502 20 0 GFADRO Cc1ccc(NC(=O)C(=O)NC[C@H]2CC[N@@H+](CC(C)C)C2)cc1Br ZINC000159346054 551564312 /nfs/dbraw/zinc/56/43/12/551564312.db2.gz NJDZSBRQJLOYDM-CQSZACIVSA-N 1 0 396.329 2.790 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H](NC(=O)c2ccc(Cl)c(I)c2)C1 ZINC000161518035 551595570 /nfs/dbraw/zinc/59/55/70/551595570.db2.gz KUCKFYVQDBSDBA-NXEZZACHSA-N 1 0 378.641 2.944 20 0 GFADRO CC1CC[NH+](C[C@H](O)CNS(=O)(=O)Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000161683156 551597252 /nfs/dbraw/zinc/59/72/52/551597252.db2.gz LAICBZGWKIXMFV-CQSZACIVSA-N 1 0 395.352 2.506 20 0 GFADRO O=S(=O)(NCCCC[N@H+]1CCC[C@@H]1CO)c1cc(Cl)sc1Cl ZINC000161715037 551597779 /nfs/dbraw/zinc/59/77/79/551597779.db2.gz HKNBPAXDHVJORO-SNVBAGLBSA-N 1 0 387.354 2.570 20 0 GFADRO C[C@H]([NH2+]CCNS(=O)(=O)Cc1ccon1)c1cccc(Cl)c1Cl ZINC000162339097 551607138 /nfs/dbraw/zinc/60/71/38/551607138.db2.gz VZJFYBWSOGPUQO-JTQLQIEISA-N 1 0 378.281 2.752 20 0 GFADRO Cc1cc(N2CCC[C@H]([NH2+]Cc3cnn(C)c3)C2=O)ccc1Br ZINC000164775609 551626949 /nfs/dbraw/zinc/62/69/49/551626949.db2.gz QZQHDQQECYVVTR-INIZCTEOSA-N 1 0 377.286 2.776 20 0 GFADRO O=S(=O)(Cc1ccc(Cl)nc1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000170657004 551637031 /nfs/dbraw/zinc/63/70/31/551637031.db2.gz ZISLIWCPVHSKGX-UHFFFAOYSA-N 1 0 379.913 2.950 20 0 GFADRO CCOC(=O)CCCNC(=O)C[NH2+]C1(c2cccc(Br)c2)CCC1 ZINC000170779464 551639868 /nfs/dbraw/zinc/63/98/68/551639868.db2.gz IRZNXVQSAMKGGL-UHFFFAOYSA-N 1 0 397.313 2.877 20 0 GFADRO C[C@H](NC(=O)N1CC[C@@H]([NH+](C)C)C1)c1cc2c(cc1Br)OCCO2 ZINC000170832506 551641068 /nfs/dbraw/zinc/64/10/68/551641068.db2.gz ISUMUIZMIAITTR-NWDGAFQWSA-N 1 0 398.301 2.627 20 0 GFADRO CCC[NH+]1CCC(N(C)S(=O)(=O)c2cc3c(cc2Cl)OCCO3)CC1 ZINC000171242457 551650762 /nfs/dbraw/zinc/65/07/62/551650762.db2.gz NYWPMJICGNYDDF-UHFFFAOYSA-N 1 0 388.917 2.606 20 0 GFADRO CC(C)(C)[NH+]1CCC(NS(=O)(=O)c2cc3c(cc2Cl)OCCO3)CC1 ZINC000171242307 551650827 /nfs/dbraw/zinc/65/08/27/551650827.db2.gz RTJXMQPYACCICK-UHFFFAOYSA-N 1 0 388.917 2.652 20 0 GFADRO O=C(c1cnn(-c2ccc(Br)cc2)c1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000171440019 551655833 /nfs/dbraw/zinc/65/58/33/551655833.db2.gz XVYIUPHACAPRHA-KRWDZBQOSA-N 1 0 389.297 2.945 20 0 GFADRO O=C(CNC(=O)c1ccc(Cl)c(Cl)c1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000171481211 551657079 /nfs/dbraw/zinc/65/70/79/551657079.db2.gz PNKSVQWPTLXQAZ-AWEZNQCLSA-N 1 0 384.307 2.810 20 0 GFADRO CCC[N@@H+](CC(=O)Nc1cc(Cl)ccc1Cl)C[C@H](O)Cn1cccn1 ZINC000171636933 551659726 /nfs/dbraw/zinc/65/97/26/551659726.db2.gz TWRKDIJUQIIGDB-AWEZNQCLSA-N 1 0 385.295 2.902 20 0 GFADRO CN(CC1CC[NH+](C)CC1)C(=O)NCCOc1cccc(Br)c1 ZINC000171738273 551661993 /nfs/dbraw/zinc/66/19/93/551661993.db2.gz GWOAPAOBQKYYRL-UHFFFAOYSA-N 1 0 384.318 2.811 20 0 GFADRO CSc1ccc(Cl)cc1NC(=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000172532929 551681259 /nfs/dbraw/zinc/68/12/59/551681259.db2.gz ZZPDQBGJODHPSV-CYBMUJFWSA-N 1 0 381.929 2.945 20 0 GFADRO CN(Cc1cc(Br)cs1)C(=O)CN1CCC[N@@H+](C2CC2)CC1 ZINC000172542903 551681353 /nfs/dbraw/zinc/68/13/53/551681353.db2.gz CAOBEMCATZXKAD-UHFFFAOYSA-N 1 0 386.359 2.639 20 0 GFADRO C[NH+]1CCC(N(Cc2ccco2)S(=O)(=O)Cc2ccc(Cl)nc2)CC1 ZINC000173004528 551691842 /nfs/dbraw/zinc/69/18/42/551691842.db2.gz WPQIBHPIQZOZDX-UHFFFAOYSA-N 1 0 383.901 2.754 20 0 GFADRO Cc1cc(F)c(NC(=O)N2CC[C@H]([NH3+])[C@H](C)C2)c(I)c1 ZINC000415395568 563772320 /nfs/dbraw/zinc/77/23/20/563772320.db2.gz SRWZPHAGZBIQDE-SKDRFNHKSA-N 1 0 391.228 2.940 20 0 GFADRO CC[NH+]1CCC(CCNS(=O)(=O)c2ccccc2OC(F)(F)F)CC1 ZINC000173512236 552087095 /nfs/dbraw/zinc/08/70/95/552087095.db2.gz BAOQVPJOZVDIQP-UHFFFAOYSA-N 1 0 380.432 2.986 20 0 GFADRO NC(=O)[C@H](c1ccc(Br)cc1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000173598790 552089004 /nfs/dbraw/zinc/08/90/04/552089004.db2.gz QJDMUXLJYPDZDT-PBHICJAKSA-N 1 0 380.330 2.783 20 0 GFADRO COCC[NH+]1CCC(NC(=O)[C@H](C)c2ccc(Br)s2)CC1 ZINC000173835560 552093117 /nfs/dbraw/zinc/09/31/17/552093117.db2.gz KJTWFHHDRLLVCN-LLVKDONJSA-N 1 0 375.332 2.841 20 0 GFADRO C[C@@H](CNC(=O)Nc1c(F)cc(Br)cc1F)CN1CCOCC1 ZINC000174084278 552098585 /nfs/dbraw/zinc/09/85/85/552098585.db2.gz PUCHAQJNRQGBCX-JTQLQIEISA-N 1 0 392.244 2.817 20 0 GFADRO C[C@@H]1C[NH+](CC2CCN(C(=O)c3ccc(Br)nc3)CC2)C[C@@H](C)O1 ZINC000174168741 552101446 /nfs/dbraw/zinc/10/14/46/552101446.db2.gz DICNSQAVUPOLRE-ZIAGYGMSSA-N 1 0 396.329 2.806 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)NCCC(=O)Nc1ccc(Br)cc1 ZINC000174200684 552102061 /nfs/dbraw/zinc/10/20/61/552102061.db2.gz JKFSSWZPJOLDQP-OAHLLOKOSA-N 1 0 397.317 2.561 20 0 GFADRO CCS[C@H]1CC[C@H]([N@H+](C)CCOc2ccc(S(=O)(=O)N(C)C)cc2)C1 ZINC000174350629 552102874 /nfs/dbraw/zinc/10/28/74/552102874.db2.gz UOYOLPKZENAPLN-RDJZCZTQSA-N 1 0 386.583 2.922 20 0 GFADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)C[C@H]2Sc3ccc(Cl)cc3NC2=O)C1 ZINC000174487681 552104918 /nfs/dbraw/zinc/10/49/18/552104918.db2.gz IFQAYCIRQGREOB-BLLLJJGKSA-N 1 0 381.929 2.943 20 0 GFADRO O=C(NCC[NH+]1CCCCCC1)C(=O)Nc1ccc(F)c(Br)c1 ZINC000174634983 552107627 /nfs/dbraw/zinc/10/76/27/552107627.db2.gz YBJVWEHGPDFYKX-UHFFFAOYSA-N 1 0 386.265 2.519 20 0 GFADRO COc1ccc(S(=O)(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)cc1Br ZINC000175075279 552115106 /nfs/dbraw/zinc/11/51/06/552115106.db2.gz AZWKDHQGBNKEPT-NWDGAFQWSA-N 1 0 391.331 2.609 20 0 GFADRO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NCCc1ccc(Br)s1 ZINC000175133643 552116045 /nfs/dbraw/zinc/11/60/45/552116045.db2.gz BYQMJDGNPUZDTP-OAHLLOKOSA-N 1 0 389.359 2.963 20 0 GFADRO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NCCc1ccc(Br)s1 ZINC000175133624 552116307 /nfs/dbraw/zinc/11/63/07/552116307.db2.gz BYQMJDGNPUZDTP-HNNXBMFYSA-N 1 0 389.359 2.963 20 0 GFADRO C[C@H]1C[C@H](NC(=O)NCC(=O)Nc2cc(Cl)ccc2Cl)C[N@@H+]1C1CC1 ZINC000175586071 552125831 /nfs/dbraw/zinc/12/58/31/552125831.db2.gz WGCCKSHTAFUZQE-JQWIXIFHSA-N 1 0 385.295 2.856 20 0 GFADRO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NCc1ccc(Br)c(F)c1 ZINC000175777119 552129070 /nfs/dbraw/zinc/12/90/70/552129070.db2.gz SYEIUEJZMAAIBH-MRXNPFEDSA-N 1 0 387.293 2.998 20 0 GFADRO C[NH+](C)CCN(Cc1cccs1)C(=O)[C@H]1CCCN(CC(F)(F)F)C1 ZINC000175804893 552129977 /nfs/dbraw/zinc/12/99/77/552129977.db2.gz IWLHEHRBYIGFTL-AWEZNQCLSA-N 1 0 377.476 2.913 20 0 GFADRO O=C(NCCc1cc(Cl)cc(Cl)c1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000176007243 552134530 /nfs/dbraw/zinc/13/45/30/552134530.db2.gz OQYLOUXCBMVSGC-HNNXBMFYSA-N 1 0 386.323 2.900 20 0 GFADRO CC[NH+]1CCN([C@@H](C)CNC(=O)c2cc(Cl)ccc2OC(F)F)CC1 ZINC000176378369 552139988 /nfs/dbraw/zinc/13/99/88/552139988.db2.gz DKTHEBLYMKIABC-LBPRGKRZSA-N 1 0 375.847 2.697 20 0 GFADRO CN(CC[NH+](C)C)C(=O)c1nn(-c2cccc(Br)c2)c2c1CCC2 ZINC000176391157 552139994 /nfs/dbraw/zinc/13/99/94/552139994.db2.gz CQUZZMGMQUQRIV-UHFFFAOYSA-N 1 0 391.313 2.757 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)Cc2cc3c(cc2Br)OCCO3)C1 ZINC000176676877 552143726 /nfs/dbraw/zinc/14/37/26/552143726.db2.gz HPHZVJGLGCOTII-UONOGXRCSA-N 1 0 397.313 2.752 20 0 GFADRO O=C(Nc1cc(F)ccc1Br)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000176714006 552144716 /nfs/dbraw/zinc/14/47/16/552144716.db2.gz QBCFXVNRCKBSHV-LBPRGKRZSA-N 1 0 386.265 2.774 20 0 GFADRO O=C(c1[nH]c2ccccc2c1Br)N1CC[NH+](C2CCOCC2)CC1 ZINC000176828975 552146695 /nfs/dbraw/zinc/14/66/95/552146695.db2.gz HRUBPPFGBOGKOJ-UHFFFAOYSA-N 1 0 392.297 2.867 20 0 GFADRO Cc1ccc(C[NH+](C)C)cc1NC(=O)c1nc2ncc(Br)cn2n1 ZINC000177356909 552153670 /nfs/dbraw/zinc/15/36/70/552153670.db2.gz FLKKFWWWRKLVDF-UHFFFAOYSA-N 1 0 389.257 2.509 20 0 GFADRO O=C(NCC1(c2cccc(Br)c2)CCOCC1)[C@H]1CCCC[NH2+]1 ZINC000178042231 552163095 /nfs/dbraw/zinc/16/30/95/552163095.db2.gz PKCHWSYANXWFGY-MRXNPFEDSA-N 1 0 381.314 2.756 20 0 GFADRO O=C(CCCc1ccccc1Br)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000178776551 552174721 /nfs/dbraw/zinc/17/47/21/552174721.db2.gz BIMGEGABLIXHCK-MRXNPFEDSA-N 1 0 395.341 2.953 20 0 GFADRO CCCN(C(=O)c1ccc(OC)cc1I)[C@@H]1CC[NH2+]C1 ZINC000178887797 552178962 /nfs/dbraw/zinc/17/89/62/552178962.db2.gz PFXVLKZNAASIPM-LLVKDONJSA-N 1 0 388.249 2.514 20 0 GFADRO CN(CC[NH2+]Cc1cccc(OC(F)F)c1)S(=O)(=O)c1cccs1 ZINC000178939391 552179603 /nfs/dbraw/zinc/17/96/03/552179603.db2.gz UBOMEVDINYKKIT-UHFFFAOYSA-N 1 0 376.450 2.760 20 0 GFADRO COc1ccc(Br)cc1S(=O)(=O)N[C@@]1(C[NH3+])CCCC[C@@H]1C ZINC000178980448 552181261 /nfs/dbraw/zinc/18/12/61/552181261.db2.gz HDBTUCGAXZCUMO-XHDPSFHLSA-N 1 0 391.331 2.644 20 0 GFADRO C[NH+](C)CC1CCC(NC(=O)N[C@@H](CO)c2cccc(Br)c2)CC1 ZINC000178976369 552181422 /nfs/dbraw/zinc/18/14/22/552181422.db2.gz QRJWXWVWOOYDDS-IMRCBTMISA-N 1 0 398.345 2.902 20 0 GFADRO O=C(/C=C/c1ccc(Cl)s1)N1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000179034837 552182922 /nfs/dbraw/zinc/18/29/22/552182922.db2.gz FPVZVEIWZSSKRB-BZDCKHMYSA-N 1 0 381.929 2.522 20 0 GFADRO Cc1ccc(C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)c(Br)c1 ZINC000179076118 552183744 /nfs/dbraw/zinc/18/37/44/552183744.db2.gz AMYYLMSJXZBXRW-OAHLLOKOSA-N 1 0 381.314 2.942 20 0 GFADRO CC[N@H+](C)CCNC(=O)C(=O)Nc1ccc(Br)c2ccccc12 ZINC000179728332 552201461 /nfs/dbraw/zinc/20/14/61/552201461.db2.gz OTWWYMDCKDQYKM-UHFFFAOYSA-N 1 0 378.270 2.609 20 0 GFADRO C[N@H+](CCCO)C1CCN(C(=O)/C=C/c2cc(Br)cs2)CC1 ZINC000179760922 552201797 /nfs/dbraw/zinc/20/17/97/552201797.db2.gz NKVFPCAWHXBYNW-ONEGZZNKSA-N 1 0 387.343 2.829 20 0 GFADRO CNC(=O)CC1CC[NH+](Cc2cnn(-c3ccc(Br)cc3)c2)CC1 ZINC000179846584 552204998 /nfs/dbraw/zinc/20/49/98/552204998.db2.gz YWQOIXGZYLWHJF-UHFFFAOYSA-N 1 0 391.313 2.983 20 0 GFADRO CCS(=O)(=O)N1CCC([NH2+][C@@H]2CCc3c2cccc3Br)CC1 ZINC000180006335 552209828 /nfs/dbraw/zinc/20/98/28/552209828.db2.gz RTZORZGWRSETRJ-MRXNPFEDSA-N 1 0 387.343 2.840 20 0 GFADRO CC(C)(O)C[NH+]1CCN(Cc2ccc(Br)c3cccnc23)CC1 ZINC000180056799 552210866 /nfs/dbraw/zinc/21/08/66/552210866.db2.gz GEFPSYMRHQJSDM-UHFFFAOYSA-N 1 0 378.314 2.886 20 0 GFADRO CC(C)[C@H]([NH2+][C@@H]1CCc2c1cccc2Br)C(=O)N1CCOCC1 ZINC000180146813 552214875 /nfs/dbraw/zinc/21/48/75/552214875.db2.gz OTPXJFKHVXZPSL-SJORKVTESA-N 1 0 381.314 2.909 20 0 GFADRO C[C@H]([NH2+][C@H]1CCN(c2cccc(Cl)c2)C1)c1ccc(S(N)(=O)=O)cc1 ZINC000180145570 552214972 /nfs/dbraw/zinc/21/49/72/552214972.db2.gz VBAQNXHQDSDOBD-BBRMVZONSA-N 1 0 379.913 2.917 20 0 GFADRO CCn1ccnc1[C@H](NCCCO)c1ccc(I)cc1 ZINC000180156361 552215515 /nfs/dbraw/zinc/21/55/15/552215515.db2.gz HGVAKWWAGYMWSL-CQSZACIVSA-N 1 0 385.249 2.569 20 0 GFADRO O=S(=O)(c1ccccc1Cl)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000180459382 552226861 /nfs/dbraw/zinc/22/68/61/552226861.db2.gz XTWSNBVZSCSLDU-UHFFFAOYSA-N 1 0 386.945 2.853 20 0 GFADRO COc1ccc(Cl)cc1NC(=O)CC[N@@H+]1CCCN(CC(F)F)CC1 ZINC000180546268 552229590 /nfs/dbraw/zinc/22/95/90/552229590.db2.gz LQVBDKRZGRQXKC-UHFFFAOYSA-N 1 0 375.847 2.950 20 0 GFADRO C[C@H]([NH2+]C1CCN(S(=O)(=O)C2CC2)CC1)c1ncc(Br)s1 ZINC000181272414 552251708 /nfs/dbraw/zinc/25/17/08/552251708.db2.gz GZYXBEHYZJTFMU-VIFPVBQESA-N 1 0 394.360 2.513 20 0 GFADRO CCN(CC)C(=O)C[C@@H](C)[NH2+]Cc1nnc(-c2ccc(Br)cc2)[nH]1 ZINC000181275431 552251727 /nfs/dbraw/zinc/25/17/27/552251727.db2.gz SGOMFKDTROALMD-GFCCVEGCSA-N 1 0 394.317 2.971 20 0 GFADRO C[C@@H]1C[C@@H](NCc2ccc(Br)cc2N2CCOCC2)CC[N@@H+]1C ZINC000181458979 552257038 /nfs/dbraw/zinc/25/70/38/552257038.db2.gz OSAXTBYUFPHKPT-PBHICJAKSA-N 1 0 382.346 2.858 20 0 GFADRO COc1ccc(C[C@H](C)[NH2+]CCNS(=O)(=O)c2cc(C)sc2C)cc1 ZINC000181506743 552259053 /nfs/dbraw/zinc/25/90/53/552259053.db2.gz XAQAAHONDUDDQS-ZDUSSCGKSA-N 1 0 382.551 2.873 20 0 GFADRO CC(C)(COc1ncccc1Br)[NH2+]C[C@@H](O)COCc1ccco1 ZINC000181515795 552259272 /nfs/dbraw/zinc/25/92/72/552259272.db2.gz PBYMHRLGIKSYTQ-CYBMUJFWSA-N 1 0 399.285 2.762 20 0 GFADRO CC(C)(COc1ncccc1Br)[NH2+]C[C@H](O)COCc1ccco1 ZINC000181515778 552259492 /nfs/dbraw/zinc/25/94/92/552259492.db2.gz PBYMHRLGIKSYTQ-ZDUSSCGKSA-N 1 0 399.285 2.762 20 0 GFADRO COC1(C[NH2+][C@H](C)CC(=O)Nc2ccc(Br)cc2)CCOCC1 ZINC000181546087 552260616 /nfs/dbraw/zinc/26/06/16/552260616.db2.gz PTRFOBSKYGRTII-CYBMUJFWSA-N 1 0 385.302 2.951 20 0 GFADRO CC(C)Sc1ccc([C@H](C)[NH2+][C@H](C)C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000182097669 552275055 /nfs/dbraw/zinc/27/50/55/552275055.db2.gz GFCJVZZWOLACGC-SQWLQELKSA-N 1 0 384.567 2.530 20 0 GFADRO O=C(NCCNc1cccc(Br)c1)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000182368128 552281739 /nfs/dbraw/zinc/28/17/39/552281739.db2.gz OVZBTARKQHDJLJ-ZDUSSCGKSA-N 1 0 381.318 2.645 20 0 GFADRO Nc1cc(N)[nH+]c(SCc2cc3c(cc2Br)OCCCO3)n1 ZINC000182371106 552281779 /nfs/dbraw/zinc/28/17/79/552281779.db2.gz RJMHLHVINRQWCN-UHFFFAOYSA-N 1 0 383.271 2.857 20 0 GFADRO CCC[N@H+](C)C[C@H]1CCN(S(=O)(=O)c2ccc(OCC(F)F)cc2)C1 ZINC000182712567 552291061 /nfs/dbraw/zinc/29/10/61/552291061.db2.gz AWABQPFEVGHHOP-CQSZACIVSA-N 1 0 376.469 2.683 20 0 GFADRO CC[C@H](C)[C@H](NC(=O)C[NH2+][C@@H](C)c1ccc(Br)cc1)C(=O)OC ZINC000182728563 552291182 /nfs/dbraw/zinc/29/11/82/552291182.db2.gz UWJIWAAAQVAPQH-MKBNYLNASA-N 1 0 385.302 2.804 20 0 GFADRO C[C@H](CS(C)(=O)=O)[NH2+]C[C@@H](c1ccc(Cl)cc1)N1CCOC(C)(C)C1 ZINC000182809564 552293307 /nfs/dbraw/zinc/29/33/07/552293307.db2.gz BZWKYDLKURKTOO-PBHICJAKSA-N 1 0 388.961 2.515 20 0 GFADRO O=S(=O)(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1c(Cl)cc(F)cc1Br ZINC000183128644 552301087 /nfs/dbraw/zinc/30/10/87/552301087.db2.gz QXILUFIAMNREJI-ULKQDVFKSA-N 1 0 397.697 2.803 20 0 GFADRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)NCc2ccc(O)c(Br)c2)C1 ZINC000183319259 552305606 /nfs/dbraw/zinc/30/56/06/552305606.db2.gz WGFOWPTYAPACKZ-UKRRQHHQSA-N 1 0 382.302 2.780 20 0 GFADRO O=C(C[NH2+][C@H](CO)c1ccccc1)Nc1ccc(I)cc1 ZINC000183655166 552315966 /nfs/dbraw/zinc/31/59/66/552315966.db2.gz NLZDJPZFFDKWNZ-OAHLLOKOSA-N 1 0 396.228 2.553 20 0 GFADRO CN(Cc1ccccc1Br)C(=O)C[NH2+][C@H](CO)c1ccccc1 ZINC000183664895 552316392 /nfs/dbraw/zinc/31/63/92/552316392.db2.gz UEPUPPNWULPUJW-QGZVFWFLSA-N 1 0 377.282 2.731 20 0 GFADRO OC[C@H]([NH2+]C[C@H](O)COCc1ccccc1F)c1cccc(Br)c1 ZINC000183899897 552322200 /nfs/dbraw/zinc/32/22/00/552322200.db2.gz ZSVNYZFSDPHRRG-WMZOPIPTSA-N 1 0 398.272 2.789 20 0 GFADRO Cc1ccc(OC[C@H](O)C[NH2+][C@@H](CO)c2cccc(Br)c2)cc1 ZINC000183892858 552322216 /nfs/dbraw/zinc/32/22/16/552322216.db2.gz OYOCIVHPOBNVTE-AEFFLSMTSA-N 1 0 380.282 2.820 20 0 GFADRO C[C@H](CNC(=O)c1cccc(Br)c1Cl)C[NH+]1CCN(C)CC1 ZINC000184067516 552326622 /nfs/dbraw/zinc/32/66/22/552326622.db2.gz FWIONFGTZRYABA-GFCCVEGCSA-N 1 0 388.737 2.716 20 0 GFADRO COc1cc(Br)ccc1CCC[NH2+][C@@H]1CCCS(=O)(=O)C1 ZINC000184335064 552332827 /nfs/dbraw/zinc/33/28/27/552332827.db2.gz ZFISIIOLKBJPQC-CQSZACIVSA-N 1 0 376.316 2.557 20 0 GFADRO CN(CC[N@H+](C)C1CC1)c1ncnc2ccc(I)cc21 ZINC000184788718 552344243 /nfs/dbraw/zinc/34/42/43/552344243.db2.gz GLMGOARTSPZIGF-UHFFFAOYSA-N 1 0 382.249 2.765 20 0 GFADRO CCC[N@H+](C)C[C@H]1CCN(S(=O)(=O)c2ccc(Br)cc2F)C1 ZINC000184982227 552349965 /nfs/dbraw/zinc/34/99/65/552349965.db2.gz AUEUFCCNEQIQFR-GFCCVEGCSA-N 1 0 393.322 2.941 20 0 GFADRO Cc1cc(N2CC[C@H]([NH2+][C@@H](C)c3cnn(C)c3)C2=O)ccc1Br ZINC000185276834 552359944 /nfs/dbraw/zinc/35/99/44/552359944.db2.gz SUNXSNLZTZCMEN-LRDDRELGSA-N 1 0 377.286 2.947 20 0 GFADRO Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+]C2CCN(CC(F)(F)F)CC2)cc1 ZINC000185291555 552360457 /nfs/dbraw/zinc/36/04/57/552360457.db2.gz ZUNQNCCCWRTAMZ-AWEZNQCLSA-N 1 0 378.460 2.774 20 0 GFADRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+]C[C@@](C)(O)c2cccc(Cl)c2)cc1 ZINC000185308839 552360919 /nfs/dbraw/zinc/36/09/19/552360919.db2.gz RKEQVAZHAHAXCK-SCLBCKFNSA-N 1 0 382.913 2.806 20 0 GFADRO COCCN(CC[NH+](C)C)C(=O)NCc1cc2cc(Br)ccc2[nH]1 ZINC000185567547 552366388 /nfs/dbraw/zinc/36/63/88/552366388.db2.gz GXAITDHPLPHFAH-UHFFFAOYSA-N 1 0 397.317 2.650 20 0 GFADRO C[C@H]([NH2+]CC(=O)Nc1ccc(Br)cn1)[C@@H]1COc2ccccc21 ZINC000185645710 552368086 /nfs/dbraw/zinc/36/80/86/552368086.db2.gz SEMIJUOERUYLMF-FZMZJTMJSA-N 1 0 376.254 2.937 20 0 GFADRO O=C(CC[N@H+]1CCC[C@H]1c1cc(F)cc(Br)c1)N1CCOCC1 ZINC000185641038 552368099 /nfs/dbraw/zinc/36/80/99/552368099.db2.gz VBOWZSOMLCBERC-INIZCTEOSA-N 1 0 385.277 2.974 20 0 GFADRO COc1cc(Br)cc(S(=O)(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000185842553 552372117 /nfs/dbraw/zinc/37/21/17/552372117.db2.gz FFHQSENIYSQVAK-AAEUAGOBSA-N 1 0 391.331 2.561 20 0 GFADRO CC[N@H+](CCNC(=O)NC(C)(C)COc1ncccc1Br)C1CC1 ZINC000185910663 552373685 /nfs/dbraw/zinc/37/36/85/552373685.db2.gz MCRXWKKENXRYDS-UHFFFAOYSA-N 1 0 399.333 2.785 20 0 GFADRO CN(CCC[NH+](C)C)C(=O)N[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000185957081 552375134 /nfs/dbraw/zinc/37/51/34/552375134.db2.gz BHTNQBJYZCTSLX-OAHLLOKOSA-N 1 0 383.334 2.621 20 0 GFADRO CCOC(=O)c1nn(C)cc1C[NH2+]CCc1ccc(F)c(Br)c1 ZINC000186325918 552384941 /nfs/dbraw/zinc/38/49/41/552384941.db2.gz FUVMEBVAEKWNBL-UHFFFAOYSA-N 1 0 384.249 2.831 20 0 GFADRO CC[N@H+](CC(=O)N1CCO[C@@H](c2ccc(F)c(Br)c2)C1)C1CC1 ZINC000186522309 552390041 /nfs/dbraw/zinc/39/00/41/552390041.db2.gz DWORMQHPKPVDQV-MRXNPFEDSA-N 1 0 385.277 2.972 20 0 GFADRO CCc1c(C(=O)N[C@H]2C[NH2+]CC[C@H]2C)cnn1-c1ccc(Br)cc1 ZINC000186673197 552394729 /nfs/dbraw/zinc/39/47/29/552394729.db2.gz LQZIUIIKTTYLSW-WBMJQRKESA-N 1 0 391.313 2.925 20 0 GFADRO C[N@H+](C[C@@H](O)COc1ccc(Cl)cc1Br)CC1(CO)CC1 ZINC000186802104 552398202 /nfs/dbraw/zinc/39/82/02/552398202.db2.gz RSYTXBLZUHZDNK-GFCCVEGCSA-N 1 0 378.694 2.547 20 0 GFADRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1 ZINC000186828751 552398946 /nfs/dbraw/zinc/39/89/46/552398946.db2.gz BUFCQEMDWUDAFK-BBRMVZONSA-N 1 0 384.929 2.541 20 0 GFADRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)c1cc2ccc(Br)cc2[nH]1 ZINC000186904726 552401110 /nfs/dbraw/zinc/40/11/10/552401110.db2.gz OJRPLQVJPVPDGG-LBPRGKRZSA-N 1 0 394.313 2.848 20 0 GFADRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)c1c[nH]c2cccc(Br)c21 ZINC000186912627 552401190 /nfs/dbraw/zinc/40/11/90/552401190.db2.gz PXNIWEQAQRGOJV-GFCCVEGCSA-N 1 0 394.313 2.848 20 0 GFADRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)c1ccc(C(F)(F)F)nc1Cl ZINC000186971159 552403339 /nfs/dbraw/zinc/40/33/39/552403339.db2.gz WFBMOQGFSRELDE-SNVBAGLBSA-N 1 0 379.810 2.671 20 0 GFADRO C[C@H]([NH2+]CCOc1cccc(Br)c1)C1CCS(=O)(=O)CC1 ZINC000187092076 552406478 /nfs/dbraw/zinc/40/64/78/552406478.db2.gz ZFVCMXMQPKSPSW-LBPRGKRZSA-N 1 0 376.316 2.631 20 0 GFADRO C[C@H](NC(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C)c1ccccc1Br ZINC000187153041 552407950 /nfs/dbraw/zinc/40/79/50/552407950.db2.gz SSGCFNUXOCJYDA-KGLIPLIRSA-N 1 0 398.345 2.997 20 0 GFADRO O=C(NCC[N@@H+]1CCCOCC1)NCC1(c2cccc(Br)c2)CC1 ZINC000187180093 552408565 /nfs/dbraw/zinc/40/85/65/552408565.db2.gz OALZUUDONKEIOJ-UHFFFAOYSA-N 1 0 396.329 2.502 20 0 GFADRO CCO[C@H]1C[C@]([NH3+])(C(=O)N2CCc3c(Br)cccc3C2)C1(C)C ZINC000187608458 552420291 /nfs/dbraw/zinc/42/02/91/552420291.db2.gz NFYVIJVWKCWRJV-YJBOKZPZSA-N 1 0 381.314 2.866 20 0 GFADRO NC(=O)[C@H](Cc1ccc(Cl)cc1)[NH2+]CC1CCN(CC(F)(F)F)CC1 ZINC000187712608 552422689 /nfs/dbraw/zinc/42/26/89/552422689.db2.gz JBRPIQRIFFUPSO-HNNXBMFYSA-N 1 0 377.838 2.600 20 0 GFADRO CN(CC[N@H+](C)C1CC1)C(=O)C(=O)Nc1ccc(Br)cc1Cl ZINC000187733088 552423235 /nfs/dbraw/zinc/42/32/35/552423235.db2.gz ZQGCVARRTRERRK-UHFFFAOYSA-N 1 0 388.693 2.594 20 0 GFADRO CCO[C@H]1C[C@]([NH3+])(C(=O)NC[C@@H](C)Oc2ccccc2Br)C1(C)C ZINC000187902836 552427715 /nfs/dbraw/zinc/42/77/15/552427715.db2.gz LPEVMXIZKILWTQ-MRAWALMUSA-N 1 0 399.329 2.865 20 0 GFADRO C[C@@H]1C[N@@H+](CCCNC(=O)Cc2ccc(F)cc2Br)C[C@H](C)O1 ZINC000188030874 552432400 /nfs/dbraw/zinc/43/24/00/552432400.db2.gz LBIYLBQRFWEIOO-BETUJISGSA-N 1 0 387.293 2.746 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)cc1Br ZINC000188060934 552433584 /nfs/dbraw/zinc/43/35/84/552433584.db2.gz SYKQSNVDDINUCQ-CYBMUJFWSA-N 1 0 394.313 2.605 20 0 GFADRO CC1(C)CN(CCNS(=O)(=O)Cc2ccc(Cl)cc2Cl)CCO1 ZINC000188085985 552434167 /nfs/dbraw/zinc/43/41/67/552434167.db2.gz MIUSZMYECSQVNO-UHFFFAOYSA-N 1 0 381.325 2.524 20 0 GFADRO Cc1cc(Br)cc(NC(=O)C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)c1 ZINC000188124378 552435983 /nfs/dbraw/zinc/43/59/83/552435983.db2.gz QXLQNVQVICGFKL-UKRRQHHQSA-N 1 0 382.302 2.685 20 0 GFADRO C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2c2ccc(Br)cc2)CC[N@@H+]1CC(C)(C)O ZINC000188653997 552450866 /nfs/dbraw/zinc/45/08/66/552450866.db2.gz LMSXYTZYPSEOIA-KBRIMQKVSA-N 1 0 395.341 2.856 20 0 GFADRO O=C(NCC[N@@H+]1CCCOCC1)Nc1nc(-c2ccccc2Cl)ns1 ZINC000188684767 552451847 /nfs/dbraw/zinc/45/18/47/552451847.db2.gz TWSRTNSMNYRVOI-UHFFFAOYSA-N 1 0 381.889 2.702 20 0 GFADRO C[C@@H]1CN(C(=O)Cc2csc(-c3cccs3)n2)CC[N@@H+]1CC(C)(C)O ZINC000188692457 552451952 /nfs/dbraw/zinc/45/19/52/552451952.db2.gz GJVNLHLBEMPXPX-CYBMUJFWSA-N 1 0 379.551 2.718 20 0 GFADRO Cc1cc(Br)ccc1CC(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000188702372 552452543 /nfs/dbraw/zinc/45/25/43/552452543.db2.gz KSUWVNVWVDCAJM-CQSZACIVSA-N 1 0 383.330 2.604 20 0 GFADRO O=C(NCC[N@@H+]1CCCOCC1)Nc1nnc(-c2cccc(Cl)c2)s1 ZINC000188861714 552456899 /nfs/dbraw/zinc/45/68/99/552456899.db2.gz PHLGOTIPULWUFB-UHFFFAOYSA-N 1 0 381.889 2.702 20 0 GFADRO CCN(CCC[NH+](C)C)C(=O)c1cc(=O)[nH]c2ccc(Br)cc21 ZINC000188915762 552458537 /nfs/dbraw/zinc/45/85/37/552458537.db2.gz QHNAYIWXPUGLHA-UHFFFAOYSA-N 1 0 380.286 2.704 20 0 GFADRO COCCN(CC[NH+](C)C)C(=O)Nc1cc(Br)c(F)cc1F ZINC000189164250 552465219 /nfs/dbraw/zinc/46/52/19/552465219.db2.gz CFSXCAHRZPNNKA-UHFFFAOYSA-N 1 0 380.233 2.769 20 0 GFADRO CCCN1CCC[N@H+](CCC(=O)Nc2ccccc2Br)CC1=O ZINC000189393232 552470268 /nfs/dbraw/zinc/47/02/68/552470268.db2.gz KQDNWBVEHDDZPX-UHFFFAOYSA-N 1 0 382.302 2.722 20 0 GFADRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)c1ccc(I)c(Cl)c1 ZINC000189746649 552478599 /nfs/dbraw/zinc/47/85/99/552478599.db2.gz LZTAXWOKKHWAFZ-UFBFGSQYSA-N 1 0 378.641 2.815 20 0 GFADRO C[C@H](NC(=O)C[N@H+](C)CC1(O)CCOCC1)c1ccc(Cl)c(Cl)c1 ZINC000189760085 552479497 /nfs/dbraw/zinc/47/94/97/552479497.db2.gz VOYFRFSOLNMGSP-LBPRGKRZSA-N 1 0 375.296 2.644 20 0 GFADRO Cc1cc(F)c(Br)cc1S(=O)(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000189841957 552480819 /nfs/dbraw/zinc/48/08/19/552480819.db2.gz LXMFAWJHNKNAQY-LLVKDONJSA-N 1 0 391.306 2.659 20 0 GFADRO Cc1cc(F)c(Br)cc1S(=O)(=O)N(C)CC1CC[NH+](C)CC1 ZINC000189947623 552483291 /nfs/dbraw/zinc/48/32/91/552483291.db2.gz CBIBTGVCSHYSMQ-UHFFFAOYSA-N 1 0 393.322 2.859 20 0 GFADRO Cc1ccc(Br)c(NC(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCC2)c1 ZINC000190016501 552485379 /nfs/dbraw/zinc/48/53/79/552485379.db2.gz DIXYVVNNFJTAIV-AWEZNQCLSA-N 1 0 394.313 2.783 20 0 GFADRO CCO[C@@H]1C[C@](CO)([NH2+]CC(=O)Nc2ccc(C)cc2Br)C1(C)C ZINC000190019592 552485413 /nfs/dbraw/zinc/48/54/13/552485413.db2.gz HCINIYCGJMLZNQ-CRAIPNDOSA-N 1 0 399.329 2.852 20 0 GFADRO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1cc(Br)ccc1F ZINC000190359156 552493758 /nfs/dbraw/zinc/49/37/58/552493758.db2.gz HERVVVSUPGEYJP-QWHCGFSZSA-N 1 0 398.276 2.612 20 0 GFADRO Cc1cc(NC(=O)C(=O)NC[C@H](C)C[NH+]2CCCC2)cc(C)c1Br ZINC000190369344 552494231 /nfs/dbraw/zinc/49/42/31/552494231.db2.gz PRJLIINXGAPWTL-LBPRGKRZSA-N 1 0 396.329 2.853 20 0 GFADRO C[NH+](C)[C@H]1CCCN(S(=O)(=O)c2cc(Cl)c(Br)cc2F)C1 ZINC000190718775 552506992 /nfs/dbraw/zinc/50/69/92/552506992.db2.gz KJJGXXBYIOBYDX-VIFPVBQESA-N 1 0 399.713 2.956 20 0 GFADRO C[C@H](CNC(=O)Cc1ccc(I)cc1)C[NH+]1CCCC1 ZINC000190894960 552512664 /nfs/dbraw/zinc/51/26/64/552512664.db2.gz LATSCRYVOQYXCT-CYBMUJFWSA-N 1 0 386.277 2.682 20 0 GFADRO C[C@@H]1C[C@@H](N(C)C(=O)Cc2ccc(I)cc2)CC[N@@H+]1C ZINC000190947535 552513871 /nfs/dbraw/zinc/51/38/71/552513871.db2.gz WMJXGHQDEJWOIE-DOMZBBRYSA-N 1 0 386.277 2.775 20 0 GFADRO Cc1nc2n(n1)C[C@H]([NH2+][C@@H]1CCN(c3ccc(Cl)cc3Cl)C1=O)CC2 ZINC000190966067 552515265 /nfs/dbraw/zinc/51/52/65/552515265.db2.gz MDKORDYXZMZPMM-TZMCWYRMSA-N 1 0 380.279 2.603 20 0 GFADRO C[NH+]1CCN(Cc2ccc(NC(=O)[C@H]3CCCOC3)cc2Br)CC1 ZINC000191083232 552518081 /nfs/dbraw/zinc/51/80/81/552518081.db2.gz RESLJQUIBYCQCZ-HNNXBMFYSA-N 1 0 396.329 2.562 20 0 GFADRO CCOCCCC(=O)Nc1ccc(CN2CC[NH+](C)CC2)c(Br)c1 ZINC000191083769 552518331 /nfs/dbraw/zinc/51/83/31/552518331.db2.gz FVMJAGDAGYYTKA-UHFFFAOYSA-N 1 0 398.345 2.952 20 0 GFADRO Cn1cc([C@H]2CSCCN2C[C@H](O)COCc2ccccc2Cl)cn1 ZINC000191203375 552521485 /nfs/dbraw/zinc/52/14/85/552521485.db2.gz VODYKLSZORGBBH-FUHWJXTLSA-N 1 0 381.929 2.741 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CNC(=O)c1nc(Br)ccc1Br ZINC000191279992 552523672 /nfs/dbraw/zinc/52/36/72/552523672.db2.gz ZBVFHIRCCFVGAK-VIFPVBQESA-N 1 0 391.107 2.821 20 0 GFADRO CC[C@@H]([NH2+]Cc1cc(Br)c(Cl)s1)C(=O)N1CCOCC1 ZINC000191299478 552524015 /nfs/dbraw/zinc/52/40/15/552524015.db2.gz LPGIGQGXLVDCDD-LLVKDONJSA-N 1 0 381.723 2.891 20 0 GFADRO CCOC(=O)CC[N@H+](C)Cc1cccc(Br)c1OCC(C)(C)O ZINC000191350131 552526167 /nfs/dbraw/zinc/52/61/67/552526167.db2.gz JOWXPCQFXIHRLI-UHFFFAOYSA-N 1 0 388.302 2.984 20 0 GFADRO CCn1nccc1N1CCC[C@H]([NH2+]Cc2ccc(Br)cc2)C1=O ZINC000191640666 552533793 /nfs/dbraw/zinc/53/37/93/552533793.db2.gz NPUUJVCLIKYDHS-HNNXBMFYSA-N 1 0 377.286 2.951 20 0 GFADRO C[C@H](O)C1CC[NH+](Cc2ccc(Br)cc2N2CCOCC2)CC1 ZINC000191639812 552534264 /nfs/dbraw/zinc/53/42/64/552534264.db2.gz VSOKIWLPZXIING-AWEZNQCLSA-N 1 0 383.330 2.879 20 0 GFADRO Cc1cc(C[NH2+]Cc2ccc(S(=O)(=O)CCO)cc2)ccc1Br ZINC000191847333 552540199 /nfs/dbraw/zinc/54/01/99/552540199.db2.gz YIRVCJWOHMUZBO-UHFFFAOYSA-N 1 0 398.322 2.813 20 0 GFADRO CC1CC[NH+](C[C@H]2CCCN(C(=O)c3cc(Br)nn3C)C2)CC1 ZINC000192001550 552545774 /nfs/dbraw/zinc/54/57/74/552545774.db2.gz QYYAJEHFFSUZEM-CQSZACIVSA-N 1 0 383.334 2.767 20 0 GFADRO COC(=O)[C@@H](c1ccc(Cl)c(Cl)c1)N1CCC([N@H+](C)CCCO)CC1 ZINC000192027904 552546749 /nfs/dbraw/zinc/54/67/49/552546749.db2.gz NXUMZBLHVMUHIF-QGZVFWFLSA-N 1 0 389.323 2.986 20 0 GFADRO O=S(=O)(NCC[NH2+][C@@H]1CCO[C@@H]1c1ccc(Cl)cc1)c1ccccc1 ZINC000192051930 552547752 /nfs/dbraw/zinc/54/77/52/552547752.db2.gz UJJSAQOIVQCVPZ-QZTJIDSGSA-N 1 0 380.897 2.738 20 0 GFADRO Cn1nc(Br)cc1C(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000192127474 552552268 /nfs/dbraw/zinc/55/22/68/552552268.db2.gz UVAHHZCWTPDOMI-CQSZACIVSA-N 1 0 377.286 2.750 20 0 GFADRO CN1C(=O)C[C@@H]([NH2+]CC(=O)NCc2cccs2)[C@H]1c1ccc(Cl)cc1 ZINC000192150674 552553305 /nfs/dbraw/zinc/55/33/05/552553305.db2.gz RAKWXAAOGURJMF-CRAIPNDOSA-N 1 0 377.897 2.579 20 0 GFADRO C[C@H]1C[C@H](NC(=O)c2cc(Br)nn2C)C[N@@H+]1Cc1ccccc1 ZINC000192161709 552554168 /nfs/dbraw/zinc/55/41/68/552554168.db2.gz JYCHUQWEWNXRGH-JSGCOSHPSA-N 1 0 377.286 2.575 20 0 GFADRO C[C@H](C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1)N(C)CC(F)(F)F ZINC000192197495 552555678 /nfs/dbraw/zinc/55/56/78/552555678.db2.gz DTEYWMMCEAOBKC-ZIAGYGMSSA-N 1 0 377.476 2.959 20 0 GFADRO COCCN(CC[NH+](C)C)C(=O)Nc1cc2c(cc1Br)CCC2 ZINC000192473056 552565227 /nfs/dbraw/zinc/56/52/27/552565227.db2.gz AAOAXLKOGOCVPF-UHFFFAOYSA-N 1 0 384.318 2.980 20 0 GFADRO COc1cc(Cl)c(S(=O)(=O)NCC[NH+](C(C)C)C(C)C)cc1OC ZINC000192799635 552973722 /nfs/dbraw/zinc/97/37/22/552973722.db2.gz FUCBRKKXLQAQAH-UHFFFAOYSA-N 1 0 378.922 2.754 20 0 GFADRO COc1cc(Cl)c(S(=O)(=O)N2CCC[C@@H]2C[NH+]2CCCC2)cc1OC ZINC000192816482 552974588 /nfs/dbraw/zinc/97/45/88/552974588.db2.gz GIZZDQARDDUDDM-CYBMUJFWSA-N 1 0 388.917 2.606 20 0 GFADRO C[N@@H+]1C[C@@H]2CN(S(=O)(=O)c3ccc4nc(C(C)(C)C)sc4c3)C[C@@H]2C1 ZINC000192922160 552977785 /nfs/dbraw/zinc/97/77/85/552977785.db2.gz BJEFNPJZATZTOU-BETUJISGSA-N 1 0 379.551 2.776 20 0 GFADRO C[C@H]1CCCC[C@]1(C[NH3+])NS(=O)(=O)c1cc(F)ccc1Br ZINC000193038815 552981123 /nfs/dbraw/zinc/98/11/23/552981123.db2.gz HLLZMNZHZITBOK-IINYFYTJSA-N 1 0 379.295 2.774 20 0 GFADRO COc1cc(Br)c(F)cc1S(=O)(=O)N(C)CC[C@H]([NH3+])C(C)C ZINC000193303718 552989660 /nfs/dbraw/zinc/98/96/60/552989660.db2.gz FYAZYZKIOCKXEB-LBPRGKRZSA-N 1 0 397.310 2.591 20 0 GFADRO CCC([NH3+])(CC)CNS(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC000193299079 552989709 /nfs/dbraw/zinc/98/97/09/552989709.db2.gz OIHGTCHVJWDSKR-CYBMUJFWSA-N 1 0 390.933 2.551 20 0 GFADRO O=C(Nc1cccc(Br)c1)C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000193631517 552998775 /nfs/dbraw/zinc/99/87/75/552998775.db2.gz MLCJKSHKFIOBGX-UHFFFAOYSA-N 1 0 394.313 2.722 20 0 GFADRO C[C@H]1[NH2+]CCC[C@H]1NC(=O)c1cc(Cl)ccc1I ZINC000193651498 552999352 /nfs/dbraw/zinc/99/93/52/552999352.db2.gz HRAATDDRSBZVNI-PRHODGIISA-N 1 0 378.641 2.815 20 0 GFADRO CCCOc1c(Br)cc(C[NH2+][C@@H]2C(=O)NCC[C@@H]2C)cc1OC ZINC000193682690 552999730 /nfs/dbraw/zinc/99/97/30/552999730.db2.gz DGUHVCRVRCAFKT-NHYWBVRUSA-N 1 0 385.302 2.861 20 0 GFADRO CCCOc1c(Br)cc(C[NH2+][C@H]2C(=O)NCC[C@H]2C)cc1OC ZINC000193682652 552999767 /nfs/dbraw/zinc/99/97/67/552999767.db2.gz DGUHVCRVRCAFKT-IAQYHMDHSA-N 1 0 385.302 2.861 20 0 GFADRO Cc1cc(S(=O)(=O)NC2CC[NH+](CC3CC3)CC2)ccc1Br ZINC000193908710 553006673 /nfs/dbraw/zinc/00/66/73/553006673.db2.gz FLMYKQDAZCKSTN-UHFFFAOYSA-N 1 0 387.343 2.910 20 0 GFADRO Cn1cc(N2CC[C@@H]([NH2+][C@H]3CCc4ccc(Br)cc43)C2=O)cn1 ZINC000193993365 553009333 /nfs/dbraw/zinc/00/93/33/553009333.db2.gz MRXMDBOKNTWBQD-JKSUJKDBSA-N 1 0 375.270 2.565 20 0 GFADRO COC[C@@H]([NH2+]CC1CCN(S(=O)(=O)C(F)F)CC1)c1ccc(Cl)cc1 ZINC000194099133 553011698 /nfs/dbraw/zinc/01/16/98/553011698.db2.gz LWABIYIHSWMXGD-OAHLLOKOSA-N 1 0 396.887 2.882 20 0 GFADRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2Cc3cc(Br)ccc3O2)C1 ZINC000194400266 553019659 /nfs/dbraw/zinc/01/96/59/553019659.db2.gz ZRCTZXKVLZWTAN-DYVFJYSZSA-N 1 0 381.314 2.847 20 0 GFADRO COc1cc(S(=O)(=O)N(CC[NH3+])Cc2ccccc2)ccc1Br ZINC000194750044 553028497 /nfs/dbraw/zinc/02/84/97/553028497.db2.gz LYLTWVWVTUNEAM-UHFFFAOYSA-N 1 0 399.310 2.607 20 0 GFADRO COCC[N@H+](C)CCCNC(=O)Nc1c(C)cc(Br)cc1OC ZINC000194780357 553029280 /nfs/dbraw/zinc/02/92/80/553029280.db2.gz DYHRQQXAMHTKSB-UHFFFAOYSA-N 1 0 388.306 2.856 20 0 GFADRO [NH3+]CCc1nc(C(=O)N2CCO[C@H](c3ccc(Br)cc3)C2)cs1 ZINC000194788041 553029747 /nfs/dbraw/zinc/02/97/47/553029747.db2.gz KMSMNBVMOUJPDI-AWEZNQCLSA-N 1 0 396.310 2.621 20 0 GFADRO COc1cccc([C@@H](CNC(=O)c2ncccc2Br)[NH+](C)C)c1 ZINC000194870901 553032150 /nfs/dbraw/zinc/03/21/50/553032150.db2.gz JVSMOZCZEPESLA-OAHLLOKOSA-N 1 0 378.270 2.885 20 0 GFADRO CCOc1cc(Br)c(CC(=O)N2CCC[C@H]([NH3+])C2)cc1OCC ZINC000195114325 553038800 /nfs/dbraw/zinc/03/88/00/553038800.db2.gz GWRLGDHCBZLDHP-ZDUSSCGKSA-N 1 0 385.302 2.739 20 0 GFADRO CC(=O)NCc1ccc(-c2nc(NC(=O)[C@H]3CCCC[NH2+]3)sc2C)s1 ZINC000195246393 553042658 /nfs/dbraw/zinc/04/26/58/553042658.db2.gz SQBWZHOSXAFXCV-CYBMUJFWSA-N 1 0 378.523 2.897 20 0 GFADRO COc1ccc(Br)cc1CNC(=O)NCC[NH+]1CCC(C)CC1 ZINC000215625941 553052827 /nfs/dbraw/zinc/05/28/27/553052827.db2.gz XOMAPOCPYIICRR-UHFFFAOYSA-N 1 0 384.318 2.989 20 0 GFADRO COC[C@H](CCO)[NH2+]Cc1cc(Br)cc(Br)c1OC ZINC000219133630 553054554 /nfs/dbraw/zinc/05/45/54/553054554.db2.gz IORBYQVTVJDRES-NSHDSACASA-N 1 0 397.107 2.707 20 0 GFADRO C[C@@H]1CN(C(=O)c2cc(Cl)ccc2I)[C@@H](C)C[NH2+]1 ZINC000227355277 553062611 /nfs/dbraw/zinc/06/26/11/553062611.db2.gz JKUVMSQGKKUXBB-BDAKNGLRSA-N 1 0 378.641 2.767 20 0 GFADRO [NH3+]C[C@H]1c2ccccc2CCN1S(=O)(=O)c1sccc1Br ZINC000227722109 553063281 /nfs/dbraw/zinc/06/32/81/553063281.db2.gz FPSKAVNOPYDMEZ-ZDUSSCGKSA-N 1 0 387.324 2.757 20 0 GFADRO C[N@H+](CCNC(=O)c1ccc(I)c(O)c1)C1CCCC1 ZINC000230893937 553065860 /nfs/dbraw/zinc/06/58/60/553065860.db2.gz YQDFLTOYAPXBIL-UHFFFAOYSA-N 1 0 388.249 2.601 20 0 GFADRO CC[C@H]([NH3+])CNC(=O)c1cc(Br)ccc1I ZINC000234023594 553067253 /nfs/dbraw/zinc/06/72/53/553067253.db2.gz YRTGJEWSBYBGQN-QMMMGPOBSA-N 1 0 397.054 2.521 20 0 GFADRO CN(C[C@H]1CCC[N@@H+]1C)S(=O)(=O)c1ccc(Cl)c(Br)c1 ZINC000234353293 553067461 /nfs/dbraw/zinc/06/74/61/553067461.db2.gz VMYIBPRHDYUKCD-SNVBAGLBSA-N 1 0 381.723 2.817 20 0 GFADRO C[C@@H]1C[C@@H](NS(=O)(=O)c2ccc(Cl)c(Br)c2)CC[N@@H+]1C ZINC000235429950 553068176 /nfs/dbraw/zinc/06/81/76/553068176.db2.gz QGGMZGKRDMRBJM-ZJUUUORDSA-N 1 0 381.723 2.864 20 0 GFADRO O=C(NC[C@@H]1CCN(c2ccc(Br)cc2)C1)[C@@H]1CC12CC[NH2+]CC2 ZINC000236608447 553069894 /nfs/dbraw/zinc/06/98/94/553069894.db2.gz SIELVVWWNXNKCM-YOEHRIQHSA-N 1 0 392.341 2.781 20 0 GFADRO CCCC[C@H](C[NH3+])NS(=O)(=O)c1cc(Cl)c(OC)cc1Br ZINC000236746352 553070785 /nfs/dbraw/zinc/07/07/85/553070785.db2.gz UWXQOAGLEGUUBJ-SECBINFHSA-N 1 0 399.738 2.907 20 0 GFADRO O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)NCCC(=O)Nc1ccc(Br)cc1 ZINC000236718937 553071199 /nfs/dbraw/zinc/07/11/99/553071199.db2.gz UKWYYNJVDWTQHA-SFESLNEESA-N 1 0 394.313 2.815 20 0 GFADRO CCC([NH3+])(CC)CNC(=O)[C@@H]1CCCN1C(=O)c1ccc(Br)cc1 ZINC000236784644 553071724 /nfs/dbraw/zinc/07/17/24/553071724.db2.gz WESJPYUOJGRNQT-HNNXBMFYSA-N 1 0 396.329 2.687 20 0 GFADRO CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000237103152 553074919 /nfs/dbraw/zinc/07/49/19/553074919.db2.gz HTKHPLYOTBNLCN-MFKMUULPSA-N 1 0 377.794 2.883 20 0 GFADRO COc1ccc(Br)cc1C(=O)CCC(=O)N1CC[C@H]([NH3+])C[C@@H]1C ZINC000237110007 553074931 /nfs/dbraw/zinc/07/49/31/553074931.db2.gz JRTNACKVSPMGKC-AAEUAGOBSA-N 1 0 383.286 2.759 20 0 GFADRO C[NH2+]C1CCN(S(=O)(=O)c2c(Cl)cc(F)cc2Br)CC1 ZINC000237098723 553074947 /nfs/dbraw/zinc/07/49/47/553074947.db2.gz XIEUJFDGXYKPHR-UHFFFAOYSA-N 1 0 385.686 2.614 20 0 GFADRO Cc1cc(S(=O)(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)c(C)cc1Br ZINC000237327449 553076466 /nfs/dbraw/zinc/07/64/66/553076466.db2.gz RDBGIIDOAGCBEW-OLZOCXBDSA-N 1 0 375.332 2.814 20 0 GFADRO Cc1c(C(=O)N[C@H](C)c2ccc(Br)cc2)nnn1C1CC[NH2+]CC1 ZINC000237371846 553077161 /nfs/dbraw/zinc/07/71/61/553077161.db2.gz IKEHEWCXSFSOCN-LLVKDONJSA-N 1 0 392.301 2.765 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C(=O)N1C[C@@H](C)[NH2+]C[C@H]1C ZINC000237376801 553077266 /nfs/dbraw/zinc/07/72/66/553077266.db2.gz ZQIYWDNWAWMYJO-VXGBXAGGSA-N 1 0 377.286 2.766 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CNC(=O)C[C@H](C)C1CC[NH2+]CC1 ZINC000237404088 553077801 /nfs/dbraw/zinc/07/78/01/553077801.db2.gz SPWRULXPYKKGEM-ZDUSSCGKSA-N 1 0 396.329 2.838 20 0 GFADRO C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000237467759 553078223 /nfs/dbraw/zinc/07/82/23/553078223.db2.gz BRCYTWJKWSPCEP-MNOVXSKESA-N 1 0 375.694 2.986 20 0 GFADRO C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)C2CC[NH2+]CC2)CC1 ZINC000237486890 553078431 /nfs/dbraw/zinc/07/84/31/553078431.db2.gz ATFXHPFVWPZLRN-AWEZNQCLSA-N 1 0 380.330 2.654 20 0 GFADRO Cc1c(C(=O)Nc2ccc(Br)cc2C)nnn1C1CC[NH2+]CC1 ZINC000237571842 553079349 /nfs/dbraw/zinc/07/93/49/553079349.db2.gz UOGYODMJMRPUPV-UHFFFAOYSA-N 1 0 378.274 2.834 20 0 GFADRO C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]Cc1nnc2ccccn21 ZINC000237562341 553079607 /nfs/dbraw/zinc/07/96/07/553079607.db2.gz LEKNIPYJKRIKCG-LBPRGKRZSA-N 1 0 388.269 2.999 20 0 GFADRO C[C@H]1CCCN(C(=O)CCNC(=O)Nc2ccc(Br)cc2)[C@@H]1C[NH3+] ZINC000237687712 553080693 /nfs/dbraw/zinc/08/06/93/553080693.db2.gz SEPYGQZJRXUIBS-SWLSCSKDSA-N 1 0 397.317 2.547 20 0 GFADRO Cc1c(C(=O)NC[C@@H]2CCC[NH2+]C2)cnn1-c1cccc(Br)c1 ZINC000237804462 553082158 /nfs/dbraw/zinc/08/21/58/553082158.db2.gz UYKFLPJSYVVXSF-CYBMUJFWSA-N 1 0 377.286 2.673 20 0 GFADRO [NH3+]CCCOC1CCN(C(=O)/C=C/c2cc(Br)ccc2F)CC1 ZINC000237822453 553082315 /nfs/dbraw/zinc/08/23/15/553082315.db2.gz NQDULMKBXKRTKF-GORDUTHDSA-N 1 0 385.277 2.958 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H]1C(=O)N1CCC(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000237906836 553083994 /nfs/dbraw/zinc/08/39/94/553083994.db2.gz SZUOKLWOCNPQFR-JKSUJKDBSA-N 1 0 394.313 2.754 20 0 GFADRO [NH3+][C@@H]1CCC[C@H](C(=O)NCCc2ccc(I)s2)C1 ZINC000237975787 553084441 /nfs/dbraw/zinc/08/44/41/553084441.db2.gz YBLGGHQXLAIWOJ-VHSXEESVSA-N 1 0 378.279 2.529 20 0 GFADRO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)C1(c2ccc(Br)cc2)CCOCC1 ZINC000237984107 553084571 /nfs/dbraw/zinc/08/45/71/553084571.db2.gz AWHQKFYDDVKHJR-BBRMVZONSA-N 1 0 381.314 2.741 20 0 GFADRO NC(=O)CC[C@@H]1CCC[N@H+](C[C@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000245397212 553089109 /nfs/dbraw/zinc/08/91/09/553089109.db2.gz OHVCUCDQFMZOBX-JSGCOSHPSA-N 1 0 375.296 2.711 20 0 GFADRO NC(=O)[C@H](c1ccc(Br)cc1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000245452443 553090731 /nfs/dbraw/zinc/09/07/31/553090731.db2.gz QJDMUXLJYPDZDT-YOEHRIQHSA-N 1 0 380.330 2.783 20 0 GFADRO C[C@@H](Oc1cccc(Br)c1)C(=O)NCCCC[N@@H+]1CCC[C@H]1CO ZINC000245672299 553094866 /nfs/dbraw/zinc/09/48/66/553094866.db2.gz DUSFNKPELYHSER-ZBFHGGJFSA-N 1 0 399.329 2.570 20 0 GFADRO CC[C@@H]1C[N@H+](C[C@@H](O)COCc2ccccc2Cl)CCN1CC(F)F ZINC000245794413 553096950 /nfs/dbraw/zinc/09/69/50/553096950.db2.gz XZHBFODROUUYSJ-HZPDHXFCSA-N 1 0 376.875 2.879 20 0 GFADRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)NCc2ccc(O)c(Br)c2)C1 ZINC000246033193 553101223 /nfs/dbraw/zinc/10/12/23/553101223.db2.gz WGFOWPTYAPACKZ-ZFWWWQNUSA-N 1 0 382.302 2.780 20 0 GFADRO Cc1cccc(S(=O)(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)c1Br ZINC000246159621 553103346 /nfs/dbraw/zinc/10/33/46/553103346.db2.gz CIZRCJOBSWYKOA-UONOGXRCSA-N 1 0 387.343 2.862 20 0 GFADRO Cc1sc(Br)cc1S(=O)(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246236185 553105070 /nfs/dbraw/zinc/10/50/70/553105070.db2.gz NMZVMUICYXSYLW-GXSJLCMTSA-N 1 0 381.361 2.922 20 0 GFADRO O=C1CCCN1C[C@H](O)C[N@@H+]1CCC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000246320998 553106375 /nfs/dbraw/zinc/10/63/75/553106375.db2.gz COAODJZNHAWRCV-UKRRQHHQSA-N 1 0 387.307 2.820 20 0 GFADRO Cc1ccc(S(=O)(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)cc1Br ZINC000246478059 553108347 /nfs/dbraw/zinc/10/83/47/553108347.db2.gz AUZHVYIVTKUGKB-CZUORRHYSA-N 1 0 387.343 2.862 20 0 GFADRO C[C@H]([NH2+][C@H]1CCO[C@@]2(CCSC2)C1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000246513292 553109324 /nfs/dbraw/zinc/10/93/24/553109324.db2.gz UDPQRYLCPPHNQO-ZVZYQTTQSA-N 1 0 384.567 2.642 20 0 GFADRO COc1ccc(Br)c(CC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c1 ZINC000246669721 553111128 /nfs/dbraw/zinc/11/11/28/553111128.db2.gz MATOAGSEQLEHMV-CXAGYDPISA-N 1 0 381.314 2.943 20 0 GFADRO O[C@H](COc1c(Cl)cccc1Cl)C[N@@H+]1CCS[C@H]2COCC[C@H]21 ZINC000246793459 553113492 /nfs/dbraw/zinc/11/34/92/553113492.db2.gz IWAMXEPDRDFZRH-GLQYFDAESA-N 1 0 378.321 2.939 20 0 GFADRO CC(=O)Nc1nc(C(=O)NC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)cs1 ZINC000247067482 553118016 /nfs/dbraw/zinc/11/80/16/553118016.db2.gz WJPGJPBXUDTARG-IUODEOHRSA-N 1 0 378.523 2.976 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(Cc2csc(CS(C)(=O)=O)n2)C1 ZINC000247251641 553119996 /nfs/dbraw/zinc/11/99/96/553119996.db2.gz DWUIMLHMSJSYLC-CVEARBPZSA-N 1 0 385.599 2.774 20 0 GFADRO CC(=O)N1CC[C@H](C[N@@H+](C)[C@H](C)C(=O)Nc2ccc(Br)cc2)C1 ZINC000247223301 553120166 /nfs/dbraw/zinc/12/01/66/553120166.db2.gz ZDGWLKDCOSITEE-TZMCWYRMSA-N 1 0 382.302 2.576 20 0 GFADRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2S(=O)(=O)c2sccc2Br)C1 ZINC000247419823 553122255 /nfs/dbraw/zinc/12/22/55/553122255.db2.gz KDTJPAOVFYCPDN-CMPLNLGQSA-N 1 0 379.345 2.615 20 0 GFADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)[C@H](C)Oc2ccc(Br)cc2)C1 ZINC000248261899 553128439 /nfs/dbraw/zinc/12/84/39/553128439.db2.gz WJNPYARPNFCDAR-YOEHRIQHSA-N 1 0 399.329 2.689 20 0 GFADRO COc1ccc(Br)cc1-c1nc(CN2C[C@H](O)C[C@H]2CO)cs1 ZINC000248388031 553128758 /nfs/dbraw/zinc/12/87/58/553128758.db2.gz CRUGMETYZSKLDO-QWHCGFSZSA-N 1 0 399.310 2.509 20 0 GFADRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)CCNc3ncc(C(F)(F)F)cc3Cl)C[C@H]12 ZINC000248628559 553132041 /nfs/dbraw/zinc/13/20/41/553132041.db2.gz OPUACOAODNTBSZ-SUZMYJTESA-N 1 0 376.810 2.752 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000249125306 553139740 /nfs/dbraw/zinc/13/97/40/553139740.db2.gz CGJFINYOJXFKLX-GXTWGEPZSA-N 1 0 382.302 2.637 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2cc(Br)ccc2C)[C@@H](C)C1 ZINC000249155001 553140401 /nfs/dbraw/zinc/14/04/01/553140401.db2.gz ICVBENVCQGXCBC-BBRMVZONSA-N 1 0 396.329 2.885 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2cc(C)ccc2Br)[C@@H](C)C1 ZINC000249185390 553140408 /nfs/dbraw/zinc/14/04/08/553140408.db2.gz NYLOGPDYBYNALB-BBRMVZONSA-N 1 0 396.329 2.885 20 0 GFADRO Cc1cc(F)c(Br)cc1S(=O)(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000249392570 553142800 /nfs/dbraw/zinc/14/28/00/553142800.db2.gz BTIBCVOBODRUPS-QWRGUYRKSA-N 1 0 379.295 2.645 20 0 GFADRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C[C@@H](O)COc1ccc(Cl)cc1Cl ZINC000249400609 553142845 /nfs/dbraw/zinc/14/28/45/553142845.db2.gz SNOAZIXDWNIBTM-DZGCQCFKSA-N 1 0 391.339 2.510 20 0 GFADRO C[C@H]1CN(C[C@@H](O)COc2c(Cl)cccc2Cl)CC[N@@H+]1CC(C)(C)O ZINC000249421188 553143030 /nfs/dbraw/zinc/14/30/30/553143030.db2.gz XCLCWBSPBFMYQN-UONOGXRCSA-N 1 0 391.339 2.510 20 0 GFADRO C[C@@H]([NH2+]CCN1CCOC[C@H]1C)c1cc2c(cc1Br)OCCO2 ZINC000249654501 553145211 /nfs/dbraw/zinc/14/52/11/553145211.db2.gz ZCMZVVDVKFDGFB-CHWSQXEVSA-N 1 0 385.302 2.592 20 0 GFADRO Cc1cc(S(=O)(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)sc1Br ZINC000250972089 553148063 /nfs/dbraw/zinc/14/80/63/553148063.db2.gz XENQHCNFKPJPAB-VXGBXAGGSA-N 1 0 393.372 2.972 20 0 GFADRO C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000253359388 553150861 /nfs/dbraw/zinc/15/08/61/553150861.db2.gz OOXHUVZQKYICRD-STQMWFEESA-N 1 0 384.307 2.808 20 0 GFADRO Brc1cnc(CN2CC[C@@H]3C[NH2+]C[C@@H]3C2)c(Br)c1 ZINC000261559228 553153281 /nfs/dbraw/zinc/15/32/81/553153281.db2.gz DQSSHQGJXLZXHV-NXEZZACHSA-N 1 0 375.108 2.648 20 0 GFADRO C[C@@H]1CCN(C(=O)CN2CCN(Cc3ccc(Br)cc3F)CC2)C1 ZINC000261445084 553153257 /nfs/dbraw/zinc/15/32/57/553153257.db2.gz JUMWHZUSERALRD-CQSZACIVSA-N 1 0 398.320 2.574 20 0 GFADRO [NH3+]CCCN(Cc1ccccc1)S(=O)(=O)c1ccccc1Br ZINC000261547062 553153371 /nfs/dbraw/zinc/15/33/71/553153371.db2.gz LSDPPPAONKIDRW-UHFFFAOYSA-N 1 0 383.311 2.989 20 0 GFADRO Brc1cnc(CN2CC[C@]3(CC[NH2+]C3)C2)c(Br)c1 ZINC000261580390 553153623 /nfs/dbraw/zinc/15/36/23/553153623.db2.gz PZPLWGRQJFKVGO-ZDUSSCGKSA-N 1 0 375.108 2.792 20 0 GFADRO C[C@@]([NH3+])(C(=O)N1CCN(c2ccccc2)CC1)c1ccc(Br)cc1 ZINC000261616506 553154028 /nfs/dbraw/zinc/15/40/28/553154028.db2.gz AHKCJANYRMMCBL-IBGZPJMESA-N 1 0 388.309 2.972 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)c3ccc(F)cc3I)C[C@H]21 ZINC000261650844 553155425 /nfs/dbraw/zinc/15/54/25/553155425.db2.gz RKZNSLWONUIJNK-GAJTVXKRSA-N 1 0 388.224 2.630 20 0 GFADRO C[NH2+][C@H](C)Cc1noc(CCC(=O)c2ccc(I)cc2)n1 ZINC000261683554 553155846 /nfs/dbraw/zinc/15/58/46/553155846.db2.gz GZJFZKZEJLHCKA-SNVBAGLBSA-N 1 0 399.232 2.640 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)N1C[C@@H](C[NH3+])C[C@H]1C ZINC000261684370 553155914 /nfs/dbraw/zinc/15/59/14/553155914.db2.gz HZZDZJJNLWXZHJ-RBSFLKMASA-N 1 0 384.567 2.547 20 0 GFADRO CC(C)Sc1ccccc1C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000261668523 553156170 /nfs/dbraw/zinc/15/61/70/553156170.db2.gz BTDLEFOLQUJYRG-HNNXBMFYSA-N 1 0 375.460 2.753 20 0 GFADRO [NH3+][C@@H]1CN(C(=O)c2cc3c(c(Br)c2)OCO3)C[C@H]1c1ccccc1 ZINC000261701803 553156653 /nfs/dbraw/zinc/15/66/53/553156653.db2.gz JVLOZYJLPJHOLO-DZGCQCFKSA-N 1 0 389.249 2.745 20 0 GFADRO [NH3+][C@@H]1CCC[C@H]1CC(=O)N1CCN(Cc2ccc(Br)s2)CC1 ZINC000261708606 553156766 /nfs/dbraw/zinc/15/67/66/553156766.db2.gz JAWGCMYLKCKPIT-GXTWGEPZSA-N 1 0 386.359 2.672 20 0 GFADRO Cc1ccc(S(=O)(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)c(Br)c1 ZINC000261687965 553156922 /nfs/dbraw/zinc/15/69/22/553156922.db2.gz KNNCDMBPDQZBQJ-GOEBONIOSA-N 1 0 395.322 2.873 20 0 GFADRO Cc1ccccc1[C@H](O)CNC(=O)[C@](C)([NH3+])c1ccc(Br)cc1 ZINC000261733217 553157520 /nfs/dbraw/zinc/15/75/20/553157520.db2.gz LCDHDMCAFWMRQR-SJLPKXTDSA-N 1 0 377.282 2.781 20 0 GFADRO O=C(CC[C@H]1CC[NH2+]C1)NC[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000261771193 553158619 /nfs/dbraw/zinc/15/86/19/553158619.db2.gz ISYKLKLGHWJURO-LSDHHAIUSA-N 1 0 380.330 2.781 20 0 GFADRO O=C(CC[C@@H]1CC[NH2+]C1)N1CCN(C(=O)c2cccc(Cl)c2Cl)CC1 ZINC000261899802 553162201 /nfs/dbraw/zinc/16/22/01/553162201.db2.gz UXWHNQFDOGAJQQ-CYBMUJFWSA-N 1 0 384.307 2.668 20 0 GFADRO C[C@@H](c1nc(-c2cccs2)no1)N1CCN(Cc2cnc(N)s2)CC1 ZINC000261903963 553162388 /nfs/dbraw/zinc/16/23/88/553162388.db2.gz WPRWMJAIDBCQNW-NSHDSACASA-N 1 0 376.511 2.716 20 0 GFADRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)[C@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1 ZINC000261914271 553163031 /nfs/dbraw/zinc/16/30/31/553163031.db2.gz YOTOEOIVOOKUCD-BFQNTYOBSA-N 1 0 384.307 2.794 20 0 GFADRO O=C(NC[C@@H]1CCCN(Cc2csc(Br)c2)C1)[C@@H]1CCC[NH2+]1 ZINC000262085618 553165799 /nfs/dbraw/zinc/16/57/99/553165799.db2.gz HNXCSYZXVZLEIG-JSGCOSHPSA-N 1 0 386.359 2.591 20 0 GFADRO O=C(NCc1ccc(F)cc1Br)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000262024026 553164491 /nfs/dbraw/zinc/16/44/91/553164491.db2.gz ARWAWQWJGPXANV-CYBMUJFWSA-N 1 0 381.249 2.639 20 0 GFADRO [NH3+]CC1(C(=O)N2CCO[C@H](c3cc(F)c(Cl)cc3Cl)C2)CCOCC1 ZINC000262043654 553164675 /nfs/dbraw/zinc/16/46/75/553164675.db2.gz YXDSUSXDGNNDAY-HNNXBMFYSA-N 1 0 391.270 2.788 20 0 GFADRO CCc1nc(C(=O)N2CC[C@](C)(C[NH3+])C2)nn1-c1c(Cl)cccc1Cl ZINC000262039170 553164783 /nfs/dbraw/zinc/16/47/83/553164783.db2.gz QBTGQIMQIBONMG-QGZVFWFLSA-N 1 0 382.295 2.947 20 0 GFADRO O=C(c1ccc(C2SCCCS2)cc1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000262080204 553165328 /nfs/dbraw/zinc/16/53/28/553165328.db2.gz QLWSIJGWUQTTHR-QGZVFWFLSA-N 1 0 377.579 2.675 20 0 GFADRO CCO[C@@H]1C[C@@]([NH3+])(C(=O)N2CCN(Cc3ccc(Cl)s3)CC2)C1(C)C ZINC000262119743 553166578 /nfs/dbraw/zinc/16/65/78/553166578.db2.gz BXXIREXQTNGYMV-RDTXWAMCSA-N 1 0 385.961 2.578 20 0 GFADRO C[C@@H](C[NH3+])C(=O)N1CCC[C@@H]1c1nc(Cc2ccc(Br)cc2)no1 ZINC000262188967 553166971 /nfs/dbraw/zinc/16/69/71/553166971.db2.gz LULPOSQRJMVQRT-SMDDNHRTSA-N 1 0 393.285 2.681 20 0 GFADRO [NH3+][C@@H]1CN(C(=O)c2csc(I)c2)C[C@H]1c1ccccc1 ZINC000262200186 553167378 /nfs/dbraw/zinc/16/73/78/553167378.db2.gz KKGBHYCLBSCHCS-QWHCGFSZSA-N 1 0 398.269 2.920 20 0 GFADRO COC(=O)C[C@H](NC(=O)[C@@H]1CCC[C@H]([NH3+])C1)c1cccc(Br)c1 ZINC000262258168 553168109 /nfs/dbraw/zinc/16/81/09/553168109.db2.gz FQVQOHUWXYUVFZ-SNPRPXQTSA-N 1 0 383.286 2.687 20 0 GFADRO O=C(NC[C@H]1CCCN(Cc2cc(Br)cs2)C1)[C@@H]1CCC[NH2+]1 ZINC000262301043 553168566 /nfs/dbraw/zinc/16/85/66/553168566.db2.gz OPMCPKWVEOZRCH-DOMZBBRYSA-N 1 0 386.359 2.591 20 0 GFADRO C[C@@]1(CNS(=O)(=O)c2cccc(Br)c2Cl)CCC[NH2+]C1 ZINC000262326073 553169206 /nfs/dbraw/zinc/16/92/06/553169206.db2.gz QZYVWSDOBODCJC-CYBMUJFWSA-N 1 0 381.723 2.771 20 0 GFADRO CN(CCOc1ccc(Br)cc1)C(=O)[C@H]([NH3+])Cc1ccccc1 ZINC000262402035 553170181 /nfs/dbraw/zinc/17/01/81/553170181.db2.gz CKCMHUWHWANELY-QGZVFWFLSA-N 1 0 377.282 2.856 20 0 GFADRO O=C(NC1CC2CCC(C1)[NH2+]2)C1CCN(c2cc(Cl)ccc2Cl)C1=O ZINC000262499904 553171891 /nfs/dbraw/zinc/17/18/91/553171891.db2.gz AYXRVDDMGAKFRC-QNMSZWNNSA-N 1 0 382.291 2.746 20 0 GFADRO C[C@H]([NH3+])CCNC(=O)c1cc(I)cc(C(F)(F)F)c1 ZINC000262532466 553172252 /nfs/dbraw/zinc/17/22/52/553172252.db2.gz JOIHZKHVANATGB-ZETCQYMHSA-N 1 0 386.155 2.777 20 0 GFADRO [NH3+][C@H](Cc1ccccc1)C(=O)N[C@@H]1CCN(c2ccccc2Br)C1 ZINC000262680758 553174232 /nfs/dbraw/zinc/17/42/32/553174232.db2.gz WUOMNSAPATZYLY-NVXWUHKLSA-N 1 0 388.309 2.714 20 0 GFADRO C[C@H]1[NH2+]CCN(C(=O)c2cc(Cl)ccc2I)[C@H]1C ZINC000262727319 553174727 /nfs/dbraw/zinc/17/47/27/553174727.db2.gz APCDFTISRDLJOA-BDAKNGLRSA-N 1 0 378.641 2.767 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCCN(S(=O)(=O)c2cccc(Cl)c2Br)C1 ZINC000262754097 553175323 /nfs/dbraw/zinc/17/53/23/553175323.db2.gz HJDMFZFLVUXQNJ-VHSXEESVSA-N 1 0 381.723 2.850 20 0 GFADRO C[C@H]1C[C@H](NS(=O)(=O)c2c(Cl)cc(F)cc2Br)CC[NH2+]1 ZINC000262799231 553176252 /nfs/dbraw/zinc/17/62/52/553176252.db2.gz QJGCTCGJXOQHKN-IONNQARKSA-N 1 0 385.686 2.660 20 0 GFADRO Cc1c(C(=O)N2CC[NH2+][C@H](C)[C@@H]2C)cnn1-c1cccc(Br)c1 ZINC000262804201 553176412 /nfs/dbraw/zinc/17/64/12/553176412.db2.gz PQBPBDBOXGUMJD-NEPJUHHUSA-N 1 0 377.286 2.766 20 0 GFADRO [NH3+]C[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc(Cl)cc1Br ZINC000262811822 553176438 /nfs/dbraw/zinc/17/64/38/553176438.db2.gz YICJPNWGSXESEM-CABZTGNLSA-N 1 0 381.723 2.898 20 0 GFADRO Cc1cc(NC(=O)CNC(=O)[C@@H]2CCCC[C@]2(C)[NH3+])ccc1Br ZINC000263232512 553184973 /nfs/dbraw/zinc/18/49/73/553184973.db2.gz NOVUXECKCRAFHR-GUYCJALGSA-N 1 0 382.302 2.720 20 0 GFADRO C[C@@H](CC[NH3+])NS(=O)(=O)c1csc(-c2cccc(Br)c2)n1 ZINC000447236494 563877762 /nfs/dbraw/zinc/87/77/62/563877762.db2.gz DBUMZXRGRDENFM-VIFPVBQESA-N 1 0 390.328 2.588 20 0 GFADRO CCS(=O)(=O)NCCC[NH2+]C1CC(c2ccc(Br)cc2F)C1 ZINC000449109159 563906738 /nfs/dbraw/zinc/90/67/38/563906738.db2.gz VLDPHGFKDFUVIY-UHFFFAOYSA-N 1 0 393.322 2.753 20 0 GFADRO O=C(NC[C@H]1C[NH2+]CCCO1)Nc1cc(F)c(Br)c(Cl)c1 ZINC000565647230 564289752 /nfs/dbraw/zinc/28/97/52/564289752.db2.gz OFCOHERCEOLWNL-SECBINFHSA-N 1 0 380.645 2.742 20 0 GFADRO CCc1sc(C(=O)NC[C@H]2CCCC[N@@H+]2CCO)cc1Br ZINC000452379873 564410995 /nfs/dbraw/zinc/41/09/95/564410995.db2.gz RNLGAFVMYNKMRQ-LLVKDONJSA-N 1 0 375.332 2.650 20 0 GFADRO C[C@H](Cc1cnccn1)[NH2+]CCOc1ccc(I)cc1 ZINC000453213062 564449316 /nfs/dbraw/zinc/44/93/16/564449316.db2.gz LZXFSLPWHMZOKS-GFCCVEGCSA-N 1 0 383.233 2.681 20 0 GFADRO CC[C@@H](CNS(C)(=O)=O)[NH2+][C@@H](c1ccc(Br)cc1F)C1CC1 ZINC000453296446 564452636 /nfs/dbraw/zinc/45/26/36/564452636.db2.gz YPOVXFSTASTIAS-SWLSCSKDSA-N 1 0 393.322 2.957 20 0 GFADRO C[NH+](C)[C@]1(CNC(=O)NCCc2ccc(Br)s2)CCSC1 ZINC000481242633 564506647 /nfs/dbraw/zinc/50/66/47/564506647.db2.gz PNNZRYCFJBMJED-AWEZNQCLSA-N 1 0 392.388 2.790 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCCN(S(=O)(=O)Cc2cc(Cl)ccc2Br)C1 ZINC000570514811 564509719 /nfs/dbraw/zinc/50/97/19/564509719.db2.gz WFNNXGQMHDHENY-QWRGUYRKSA-N 1 0 395.750 2.992 20 0 GFADRO C[C@H]1CCN(S(=O)(=O)Cc2ccc(Cl)cc2Br)C[C@@H]1C[NH3+] ZINC000420482089 563266122 /nfs/dbraw/zinc/26/61/22/563266122.db2.gz SFOPXBMDDTXGHK-JQWIXIFHSA-N 1 0 395.750 2.849 20 0 GFADRO O=C(NCC[N@H+]1CC=CCC1)c1nc(Br)ccc1Br ZINC000280348078 563332429 /nfs/dbraw/zinc/33/24/29/563332429.db2.gz WUSYMIJQNDPGRG-UHFFFAOYSA-N 1 0 389.091 2.598 20 0 GFADRO COc1cc(Br)c(C[NH2+]CC2([S@@](C)=O)CCC2)c(OC)c1 ZINC000280712002 563351207 /nfs/dbraw/zinc/35/12/07/563351207.db2.gz UEFLCRMILSYLTH-OAQYLSRUSA-N 1 0 376.316 2.857 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1c(Cl)cccc1Br ZINC000312795856 563436513 /nfs/dbraw/zinc/43/65/13/563436513.db2.gz GMWKRDGLEPPCCY-JTQLQIEISA-N 1 0 381.723 2.865 20 0 GFADRO C[N@@H+]1CC[C@]2(CCN(S(=O)(=O)c3ccc(Br)cc3Cl)C2)C1 ZINC000313921089 563438392 /nfs/dbraw/zinc/43/83/92/563438392.db2.gz WKHWCIDUTILNES-AWEZNQCLSA-N 1 0 393.734 2.819 20 0 GFADRO [NH3+]C[C@]12CCC[C@H]1CN(S(=O)(=O)c1ccc(Br)cc1Cl)C2 ZINC000313853928 563438485 /nfs/dbraw/zinc/43/84/85/563438485.db2.gz HXDWTHZCYJMNKW-HZMBPMFUSA-N 1 0 393.734 2.852 20 0 GFADRO C[N@@H+]1CCC[C@H](CNS(=O)(=O)c2c(Cl)cccc2Br)C1 ZINC000380064401 563514509 /nfs/dbraw/zinc/51/45/09/563514509.db2.gz GLNRFWBITLXMPW-SNVBAGLBSA-N 1 0 381.723 2.723 20 0 GFADRO O=C(NCCc1ccc(Br)cc1Cl)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000418240364 563213849 /nfs/dbraw/zinc/21/38/49/563213849.db2.gz ZDHROBCQYHMMQT-STQMWFEESA-N 1 0 386.721 2.896 20 0 GFADRO CO[C@@H]1CCN(C(=O)NCCOc2ccc(Cl)c(Cl)c2)[C@@H](C[NH3+])C1 ZINC000418239829 563214203 /nfs/dbraw/zinc/21/42/03/563214203.db2.gz QXGIITMNCIMYPW-VXGBXAGGSA-N 1 0 376.284 2.520 20 0 GFADRO COCCN(Cc1sccc1Br)C(=O)NCCC[NH2+]C1CC1 ZINC000418304320 563215598 /nfs/dbraw/zinc/21/55/98/563215598.db2.gz VGQWEFUMOCABBP-UHFFFAOYSA-N 1 0 390.347 2.811 20 0 GFADRO [NH3+]CCNC(=O)N1CCN(Cc2ccc(-c3ccccc3Cl)s2)CC1 ZINC000418300374 563215666 /nfs/dbraw/zinc/21/56/66/563215666.db2.gz VRIQNECKUPJGCY-UHFFFAOYSA-N 1 0 378.929 2.854 20 0 GFADRO O=C(NCCN1CC[NH2+]CC1)N1CC=C(c2ccc(Cl)c(Cl)c2)CC1 ZINC000418303735 563215674 /nfs/dbraw/zinc/21/56/74/563215674.db2.gz WNDBJWGXBAOPFY-UHFFFAOYSA-N 1 0 383.323 2.697 20 0 GFADRO COCCOC1(C[NH2+]Cc2ccc(F)c(Br)c2)CCOCC1 ZINC000294764336 563215999 /nfs/dbraw/zinc/21/59/99/563215999.db2.gz JKOJNLKPZALQDJ-UHFFFAOYSA-N 1 0 376.266 2.890 20 0 GFADRO CN(C)[C@H](CNC(=O)c1c(Br)cnn1C)c1ccccc1Cl ZINC000294768689 563216041 /nfs/dbraw/zinc/21/60/41/563216041.db2.gz MOHLLPKKZTWWDA-CYBMUJFWSA-N 1 0 385.693 2.869 20 0 GFADRO CC[C@H]([NH2+][C@@H]1CCc2nccn2C1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000369542974 563216058 /nfs/dbraw/zinc/21/60/58/563216058.db2.gz ZIPSXSGXCHDNDG-HIFRSBDPSA-N 1 0 382.917 2.500 20 0 GFADRO OC1CCN(CC[NH2+]Cc2ccc(Br)c(Br)c2)CC1 ZINC000294812082 563217566 /nfs/dbraw/zinc/21/75/66/563217566.db2.gz JPLXFUYWHHLWHI-UHFFFAOYSA-N 1 0 392.135 2.758 20 0 GFADRO CCCC[C@H](C[NH3+])NC(=O)NCc1noc(-c2cccc(Br)c2)n1 ZINC000418437437 563217725 /nfs/dbraw/zinc/21/77/25/563217725.db2.gz CVGAJNIFPDZBAY-CYBMUJFWSA-N 1 0 396.289 2.816 20 0 GFADRO [NH3+]C[C@@H](NC(=O)N1CCC[C@H]1c1ccc(I)cc1)C1CC1 ZINC000418475584 563217960 /nfs/dbraw/zinc/21/79/60/563217960.db2.gz SUVMDJZQJHTDKM-CABCVRRESA-N 1 0 399.276 2.875 20 0 GFADRO [NH3+][C@@H](CNC(=O)N1CCC(n2cc(Br)cn2)CC1)c1ccccc1 ZINC000418458901 563218041 /nfs/dbraw/zinc/21/80/41/563218041.db2.gz XQCWIVLBLFWVNY-INIZCTEOSA-N 1 0 392.301 2.692 20 0 GFADRO C[N@@H+]1CC[C@H](CNC(=O)c2ccc(S(C)(=O)=O)cc2)[C@@H]1c1cccs1 ZINC000369570621 563218246 /nfs/dbraw/zinc/21/82/46/563218246.db2.gz SCHKQUYKASRLQZ-RHSMWYFYSA-N 1 0 378.519 2.574 20 0 GFADRO COCC[NH2+]CCNC(=O)NC1(c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000418505226 563218437 /nfs/dbraw/zinc/21/84/37/563218437.db2.gz DRCIUCFHMAKGNB-UHFFFAOYSA-N 1 0 379.810 2.883 20 0 GFADRO COCC[NH+]1CCC(NC(=O)C(F)(F)c2ccccc2Br)CC1 ZINC000294834525 563218459 /nfs/dbraw/zinc/21/84/59/563218459.db2.gz XQQFBTDXPMCSER-UHFFFAOYSA-N 1 0 391.256 2.768 20 0 GFADRO Cn1nc2c(cc1=O)C[N@@H+](CCCC(=O)c1ccc(Br)cc1)CC2 ZINC000294864120 563219081 /nfs/dbraw/zinc/21/90/81/563219081.db2.gz DFVNFEDVQVBKNU-UHFFFAOYSA-N 1 0 390.281 2.564 20 0 GFADRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)c1c(Br)cnn1C ZINC000294870387 563219794 /nfs/dbraw/zinc/21/97/94/563219794.db2.gz PFEQJDMUIXGBMN-UHFFFAOYSA-N 1 0 379.302 2.953 20 0 GFADRO CC[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)N[C@@H](C)CC[NH3+])CC1 ZINC000418553751 563219913 /nfs/dbraw/zinc/21/99/13/563219913.db2.gz MVBVVIBKBNJZOM-YOEHRIQHSA-N 1 0 397.361 2.965 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)N2CCO[C@H](c3ccc(Br)cc3)C2)CC[NH2+]1 ZINC000418594420 563220810 /nfs/dbraw/zinc/22/08/10/563220810.db2.gz FNDSSDRGJSKPCN-KCXAZCMYSA-N 1 0 382.302 2.673 20 0 GFADRO COCCN(Cc1cc(Br)cs1)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000418586383 563221007 /nfs/dbraw/zinc/22/10/07/563221007.db2.gz ZPSMZDMPJCHFQP-SMDDNHRTSA-N 1 0 390.347 2.667 20 0 GFADRO [NH3+]C[C@@H](NC(=O)N(CCO)Cc1ccc(Br)s1)C1CCCC1 ZINC000418610457 563221311 /nfs/dbraw/zinc/22/13/11/563221311.db2.gz CXYNLRNBLKQNBA-CYBMUJFWSA-N 1 0 390.347 2.532 20 0 GFADRO COCC1(CNC(=O)N(C)Cc2ccc(Br)cc2)CC[NH2+]CC1 ZINC000418635854 563221526 /nfs/dbraw/zinc/22/15/26/563221526.db2.gz FYLUTBYRAUGFGW-UHFFFAOYSA-N 1 0 384.318 2.607 20 0 GFADRO [NH3+]C[C@@H](NC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1)C1CCCC1 ZINC000418609687 563221570 /nfs/dbraw/zinc/22/15/70/563221570.db2.gz CRRSNQAGRRAMHR-OAHLLOKOSA-N 1 0 386.327 2.738 20 0 GFADRO C[C@@H]([NH3+])[C@@H](C)NC(=O)N1CCC(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000418691270 563221910 /nfs/dbraw/zinc/22/19/10/563221910.db2.gz DKVLJIJFUAFBJG-VXGBXAGGSA-N 1 0 397.317 2.545 20 0 GFADRO C[C@@H](CCC[NH3+])NC(=O)N(CCn1ccnc1)Cc1ccc(Br)o1 ZINC000418690708 563222162 /nfs/dbraw/zinc/22/21/62/563222162.db2.gz PSYYZRJNTUWIDU-ZDUSSCGKSA-N 1 0 398.305 2.578 20 0 GFADRO C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)N[C@@H](C)[C@H](C)[NH3+])CC1 ZINC000418687996 563222245 /nfs/dbraw/zinc/22/22/45/563222245.db2.gz ANSAJDACPBCXQP-MELADBBJSA-N 1 0 383.334 2.573 20 0 GFADRO CCC(O)(CC)C[NH2+]Cc1cc(Br)ccc1O[C@@H](C)C(=O)NC ZINC000294968978 563223877 /nfs/dbraw/zinc/22/38/77/563223877.db2.gz GGNOSOJOXAKOPJ-LBPRGKRZSA-N 1 0 387.318 2.603 20 0 GFADRO C[C@H]1CN(C(=O)c2cc(F)cc(Br)c2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000369765418 563224114 /nfs/dbraw/zinc/22/41/14/563224114.db2.gz FXNQMRWMXCYAQN-SUMWQHHRSA-N 1 0 398.320 2.686 20 0 GFADRO C[C@@H]1C[C@@H](N(C)C(=O)c2cccnc2-n2cc(Br)cn2)CC[N@@H+]1C ZINC000295014147 563225476 /nfs/dbraw/zinc/22/54/76/563225476.db2.gz QDBAOJDEYRUZQX-OCCSQVGLSA-N 1 0 392.301 2.585 20 0 GFADRO O=C(N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)N1CCc2c(Br)cccc2C1 ZINC000418792107 563225855 /nfs/dbraw/zinc/22/58/55/563225855.db2.gz NJIIHSBWCLQOQF-BPLDGKMQSA-N 1 0 378.314 2.905 20 0 GFADRO [NH3+]C[C@H](NC(=O)C(=O)N[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl)C1CCCC1 ZINC000418814302 563226348 /nfs/dbraw/zinc/22/63/48/563226348.db2.gz FWVNTBDFTDPLRW-IMJJTQAJSA-N 1 0 384.307 2.599 20 0 GFADRO C[C@@H](NC(=O)C(=O)N[C@@H](C)c1cc(F)c(Cl)cc1Cl)[C@@H]1CCC[NH2+]C1 ZINC000418830829 563226514 /nfs/dbraw/zinc/22/65/14/563226514.db2.gz FZQQAKFELVJWCZ-OUAUKWLOSA-N 1 0 390.286 2.814 20 0 GFADRO C[C@H](NC(=O)C(=O)N1CC[C@H](C)[C@H](C[NH3+])C1)c1cc(F)c(Cl)cc1Cl ZINC000418850091 563227129 /nfs/dbraw/zinc/22/71/29/563227129.db2.gz NQBNGDNKTJMUIH-GARJFASQSA-N 1 0 390.286 2.753 20 0 GFADRO CC(C)(CNc1nc(C(F)(F)F)c(Br)s1)N1CCOCC1 ZINC000418839373 563227273 /nfs/dbraw/zinc/22/72/73/563227273.db2.gz YTYCOEZOCCXORD-UHFFFAOYSA-N 1 0 388.253 3.447 20 0 GFADRO CCCC[C@@H](C[NH3+])NC(=O)C(=O)N[C@@H](C)c1cc(F)c(Cl)cc1Cl ZINC000418854492 563227931 /nfs/dbraw/zinc/22/79/31/563227931.db2.gz TYDIBPVUXKKLLL-UWVGGRQHSA-N 1 0 378.275 2.943 20 0 GFADRO CN1C(=O)CSC12CC[NH+](C[C@@H]1CC(c3ccc(Cl)cc3)=NO1)CC2 ZINC000369908761 563228319 /nfs/dbraw/zinc/22/83/19/563228319.db2.gz NYOCNVWFDHZLQE-HNNXBMFYSA-N 1 0 379.913 2.830 20 0 GFADRO Cn1cc([C@@H]2C[N@H+](Cc3ccc(Br)cn3)CC23CCOCC3)cn1 ZINC000295081666 563228989 /nfs/dbraw/zinc/22/89/89/563228989.db2.gz SCDWSSJETONZRC-KRWDZBQOSA-N 1 0 391.313 2.974 20 0 GFADRO [NH3+]C[C@H]1CCCC[C@H]1NC(=O)C(=O)NCCCc1ccc(Cl)cc1Cl ZINC000419036449 563232148 /nfs/dbraw/zinc/23/21/48/563232148.db2.gz GZNRTAYSVSNVDY-CZUORRHYSA-N 1 0 386.323 2.676 20 0 GFADRO CCCC[C@@H](C[NH3+])NC(=O)C(=O)N[C@H](C)CCc1ccc(Br)cc1 ZINC000419026083 563232348 /nfs/dbraw/zinc/23/23/48/563232348.db2.gz UAPIYSFGHXFWPP-CJNGLKHVSA-N 1 0 398.345 2.520 20 0 GFADRO [NH3+]CC[C@@H]1CCCN(C(=O)C(=O)NCCCc2ccc(Cl)cc2Cl)C1 ZINC000419037155 563232670 /nfs/dbraw/zinc/23/26/70/563232670.db2.gz HNTWQNRYIYMHFA-ZDUSSCGKSA-N 1 0 386.323 2.630 20 0 GFADRO O=C(CC[NH+]1CCC2(CCOC2=O)CC1)Nc1ccc(Br)cc1 ZINC000370087585 563233248 /nfs/dbraw/zinc/23/32/48/563233248.db2.gz UKBLLLPCYMEORV-UHFFFAOYSA-N 1 0 381.270 2.807 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N[C@H]1CCSc2ccc(Cl)cc21 ZINC000419201087 563234353 /nfs/dbraw/zinc/23/43/53/563234353.db2.gz BUURSEONAOSYQY-CQDKDKBSSA-N 1 0 381.929 2.721 20 0 GFADRO [NH3+]C[C@H]1CCCN1C(=O)C(=O)N[C@H](c1ccsc1)c1ccc(Cl)cc1 ZINC000419127914 563234909 /nfs/dbraw/zinc/23/49/09/563234909.db2.gz TWRUOFFZDFNVMO-CVEARBPZSA-N 1 0 377.897 2.557 20 0 GFADRO O=C(c1cc(I)c[nH]1)N1CCC([NH2+]C2CCCC2)CC1 ZINC000370189953 563235435 /nfs/dbraw/zinc/23/54/35/563235435.db2.gz WQVYPRHLAKRPQA-UHFFFAOYSA-N 1 0 387.265 2.756 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000370177204 563235789 /nfs/dbraw/zinc/23/57/89/563235789.db2.gz ZETLRSKRCVWJOO-SUMWQHHRSA-N 1 0 389.297 2.767 20 0 GFADRO C[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000419278600 563235968 /nfs/dbraw/zinc/23/59/68/563235968.db2.gz HYVJAWIQROWAGK-FFSVYQOJSA-N 1 0 386.323 2.674 20 0 GFADRO C[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000419284498 563236320 /nfs/dbraw/zinc/23/63/20/563236320.db2.gz OPHXRAPFNOPHKI-GFCCVEGCSA-N 1 0 386.323 2.547 20 0 GFADRO COc1cccc2c1C[C@H]([NH2+][C@H](C(N)=O)c1cccc(Br)c1)C2 ZINC000419327993 563237334 /nfs/dbraw/zinc/23/73/34/563237334.db2.gz MYIJBCLRGWLAEV-PBHICJAKSA-N 1 0 375.266 2.741 20 0 GFADRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)NCC(C)(C)c1ccc(Cl)c(Cl)c1 ZINC000419363683 563239355 /nfs/dbraw/zinc/23/93/55/563239355.db2.gz QWGIYBMLOABANO-NHYWBVRUSA-N 1 0 386.323 2.501 20 0 GFADRO COCCCC[N@H+](C)CC(=O)Nc1ccc(I)cc1C ZINC000419392654 563239556 /nfs/dbraw/zinc/23/95/56/563239556.db2.gz YYNQWHQPZQWMOM-UHFFFAOYSA-N 1 0 390.265 2.897 20 0 GFADRO O=C(Nc1ccc(Br)cc1)N1CCC[C@H]1C[N@H+]1CCC[C@H]1CO ZINC000370353427 563240989 /nfs/dbraw/zinc/24/09/89/563240989.db2.gz NIALEQZMFHBGMW-HOTGVXAUSA-N 1 0 382.302 2.902 20 0 GFADRO C[C@H](CNC(=O)C(=O)NC[C@@]1(C)CCC[NH2+]C1)c1c(Cl)cccc1Cl ZINC000419510465 563241346 /nfs/dbraw/zinc/24/13/46/563241346.db2.gz BIUXKEOBMZPTDO-XIKOKIGWSA-N 1 0 386.323 2.719 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)Cc1cc[nH]c(=O)c1Br)c1ccc(F)cc1 ZINC000278133074 563242178 /nfs/dbraw/zinc/24/21/78/563242178.db2.gz MRRXUWNDNZDMMI-AWEZNQCLSA-N 1 0 396.260 2.650 20 0 GFADRO COc1cnccc1[C@@H](C)[NH2+]C1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000370478542 563244785 /nfs/dbraw/zinc/24/47/85/563244785.db2.gz ZYPLCCOPQUGRFQ-CYBMUJFWSA-N 1 0 381.523 2.656 20 0 GFADRO CCC(CC)(CNC(=O)C(=O)NCCC[NH2+]C)c1ccc(Cl)c(Cl)c1 ZINC000419654875 563244830 /nfs/dbraw/zinc/24/48/30/563244830.db2.gz SMMMQUIJBZMVIO-UHFFFAOYSA-N 1 0 388.339 2.893 20 0 GFADRO CC1(C)C[C@H]([NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)C(C)(C)O1 ZINC000419694036 563246267 /nfs/dbraw/zinc/24/62/67/563246267.db2.gz OWAIZALUZXLLHY-ZDUSSCGKSA-N 1 0 391.331 2.532 20 0 GFADRO Cn1cc(Br)cc1C(=O)N1C[C@@H](C[NH+](C)C)Oc2ccccc21 ZINC000370505804 563246560 /nfs/dbraw/zinc/24/65/60/563246560.db2.gz YSGIBTDWOWJTKJ-CYBMUJFWSA-N 1 0 378.270 2.757 20 0 GFADRO Cc1c2cc(Cl)ccc2sc1CNC(=O)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000419699312 563246838 /nfs/dbraw/zinc/24/68/38/563246838.db2.gz BJCNSRHAZMTVHW-LBPRGKRZSA-N 1 0 379.913 2.595 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+]C2CC(C(F)(F)F)C2)cc1Br ZINC000419713989 563247669 /nfs/dbraw/zinc/24/76/69/563247669.db2.gz XDTUILHURZUOLB-UHFFFAOYSA-N 1 0 387.221 2.527 20 0 GFADRO Cc1c2cc(Cl)ccc2sc1CNC(=O)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000419720417 563248024 /nfs/dbraw/zinc/24/80/24/563248024.db2.gz YEDUWUSPFDSISL-CYBMUJFWSA-N 1 0 379.913 2.738 20 0 GFADRO Cc1nc(NC(=O)N2CC[N@H+](C3CCOCC3)C[C@H]2C)ccc1Br ZINC000370542126 563248080 /nfs/dbraw/zinc/24/80/80/563248080.db2.gz NWFFMUFYSSZYNW-GFCCVEGCSA-N 1 0 397.317 2.870 20 0 GFADRO CC[NH+](CC)[C@@H](CNC(=O)c1cc2c(s1)CCS(=O)(=O)C2)CC(C)C ZINC000370582876 563249240 /nfs/dbraw/zinc/24/92/40/563249240.db2.gz KXROESLJMRTTBJ-OAHLLOKOSA-N 1 0 386.583 2.705 20 0 GFADRO CC[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000419745969 563249454 /nfs/dbraw/zinc/24/94/54/563249454.db2.gz BIIPNVMOFUBNFG-UXIGCNINSA-N 1 0 386.323 2.626 20 0 GFADRO C[NH+](C)CCc1ccccc1NC(=O)Cc1cc[nH]c(=O)c1Br ZINC000278376932 563252081 /nfs/dbraw/zinc/25/20/81/563252081.db2.gz SILYTDQOFLUISG-UHFFFAOYSA-N 1 0 378.270 2.835 20 0 GFADRO CC(C)N(Cc1ccc(Br)cc1)C(=O)C(=O)NC1CCC([NH3+])CC1 ZINC000419860328 563252632 /nfs/dbraw/zinc/25/26/32/563252632.db2.gz ALQBEEWWQACFHD-UHFFFAOYSA-N 1 0 396.329 2.572 20 0 GFADRO CCC[NH2+]CCNC(=O)C(=O)N1CC=C(c2ccc(Cl)c(Cl)c2)CC1 ZINC000419911337 563252639 /nfs/dbraw/zinc/25/26/39/563252639.db2.gz SJVWWEOYYATXCN-UHFFFAOYSA-N 1 0 384.307 2.725 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000370737617 563253915 /nfs/dbraw/zinc/25/39/15/563253915.db2.gz HDFZMFBWIWZCTC-GJZGRUSLSA-N 1 0 394.313 2.747 20 0 GFADRO C[NH+](C)CC[C@@](C)(O)CNC(=O)c1cc(Cl)cc(Br)c1F ZINC000419969623 563254709 /nfs/dbraw/zinc/25/47/09/563254709.db2.gz AHAMIMNSDHNNHL-CQSZACIVSA-N 1 0 381.673 2.674 20 0 GFADRO C[C@@H]1C[N@H+](CCCNC(=O)Cc2ccc(F)cc2Br)CCCO1 ZINC000278443544 563255684 /nfs/dbraw/zinc/25/56/84/563255684.db2.gz HTSGSUCLAATBBZ-CYBMUJFWSA-N 1 0 387.293 2.748 20 0 GFADRO C[NH+](C)CC[C@@](C)(O)CNC(=O)C(C)(C)c1csc(-c2cccs2)n1 ZINC000420000661 563256141 /nfs/dbraw/zinc/25/61/41/563256141.db2.gz QEJOJAIDARGGED-GOSISDBHSA-N 1 0 381.567 2.968 20 0 GFADRO COc1cc([C@H](C)[NH2+]CCOCC(F)(F)C(F)F)ccc1S(C)(=O)=O ZINC000278456750 563256712 /nfs/dbraw/zinc/25/67/12/563256712.db2.gz MBLGYXWMFNRRHX-JTQLQIEISA-N 1 0 387.395 2.666 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2S(=O)(=O)c1ccc(C(C)(C)C)s1 ZINC000370817660 563256756 /nfs/dbraw/zinc/25/67/56/563256756.db2.gz XFFCGNWXJYHENP-ILXRZTDVSA-N 1 0 386.583 2.918 20 0 GFADRO FC(F)(F)c1ccc(I)c(N2CC[C@H]3C[NH2+]C[C@H]3C2)n1 ZINC000420266378 563261305 /nfs/dbraw/zinc/26/13/05/563261305.db2.gz VZIRYAPTZCXDMI-IUCAKERBSA-N 1 0 397.182 2.751 20 0 GFADRO Cn1ccnc1[C@@H](NS(=O)(=O)c1ccc(C(C)(C)C)s1)C(C)(C)CO ZINC000295793234 563262470 /nfs/dbraw/zinc/26/24/70/563262470.db2.gz RROVZEBAJKNTAQ-CQSZACIVSA-N 1 0 385.555 2.817 20 0 GFADRO [NH3+][C@@H]1CN(CC(=O)Nc2ccc(Br)cc2)C[C@H]1c1cccc(F)c1 ZINC000420379077 563262709 /nfs/dbraw/zinc/26/27/09/563262709.db2.gz ANYZPHSKNRRNNH-DLBZAZTESA-N 1 0 392.272 2.953 20 0 GFADRO C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420408934 563262884 /nfs/dbraw/zinc/26/28/84/563262884.db2.gz QDMCCJQEQJEFDZ-FMKPAKJESA-N 1 0 382.346 2.713 20 0 GFADRO Cc1cc(I)ccc1NC(=O)CN[C@@H](C[NH3+])C(C)(C)C ZINC000420363036 563263115 /nfs/dbraw/zinc/26/31/15/563263115.db2.gz NQEJACLDRYHWCN-ZDUSSCGKSA-N 1 0 389.281 2.501 20 0 GFADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1CC(=O)Nc1ccc(Br)cc1 ZINC000278619021 563263301 /nfs/dbraw/zinc/26/33/01/563263301.db2.gz JTBITXXHXJPJEV-CQSZACIVSA-N 1 0 396.329 2.573 20 0 GFADRO O=S(=O)(c1ccc(Br)s1)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420454260 563263678 /nfs/dbraw/zinc/26/36/78/563263678.db2.gz DVWLQPYCHTVGNU-MNOVXSKESA-N 1 0 379.345 2.663 20 0 GFADRO CC1(NS(=O)(=O)Cc2ccc(Cl)cc2Br)CC[NH2+]CC1 ZINC000420454183 563263826 /nfs/dbraw/zinc/26/38/26/563263826.db2.gz VYCRRZUBSZIUDX-UHFFFAOYSA-N 1 0 381.723 2.664 20 0 GFADRO COc1cc(Br)c(S(=O)(=O)N[C@H]2CC[C@@H](C[NH3+])C2)cc1Cl ZINC000420461845 563264306 /nfs/dbraw/zinc/26/43/06/563264306.db2.gz UZHYPUQRLVTUMY-BDAKNGLRSA-N 1 0 397.722 2.517 20 0 GFADRO CC1(C)C[NH2+]CC[C@H]1NS(=O)(=O)c1cc(Br)sc1Cl ZINC000420464414 563264629 /nfs/dbraw/zinc/26/46/29/563264629.db2.gz OZRMFXZWZNVNNR-MRVPVSSYSA-N 1 0 387.752 2.830 20 0 GFADRO Cc1ccc(C[NH2+]Cc2cc(Br)c3c(c2)OCCO3)c(=O)n1C ZINC000278663751 563265684 /nfs/dbraw/zinc/26/56/84/563265684.db2.gz GRPGCEPPSMZRFG-UHFFFAOYSA-N 1 0 379.254 2.517 20 0 GFADRO C[C@@H]1[NH2+]CCC[C@@H]1NS(=O)(=O)Cc1ccc(Cl)cc1Br ZINC000420476938 563265813 /nfs/dbraw/zinc/26/58/13/563265813.db2.gz RWLOWXXDNJPDQK-ZANVPECISA-N 1 0 381.723 2.662 20 0 GFADRO [NH3+][C@@H]1Cc2ccccc2N(S(=O)(=O)Cc2cccc(Br)c2)C1 ZINC000420474835 563265973 /nfs/dbraw/zinc/26/59/73/563265973.db2.gz KSVHMIGZDIDXQY-OAHLLOKOSA-N 1 0 381.295 2.669 20 0 GFADRO O=C(Cc1cccc(I)c1)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000371233607 563268895 /nfs/dbraw/zinc/26/88/95/563268895.db2.gz ZNHLQGJPSYWKGC-GDBMZVCRSA-N 1 0 398.288 2.824 20 0 GFADRO C[C@@H](CNS(=O)(=O)c1cc(F)ccc1OC(F)F)[N@@H+]1CCCC[C@@H]1C ZINC000420660943 563270335 /nfs/dbraw/zinc/27/03/35/563270335.db2.gz ZDDNHDYPGWCEIW-RYUDHWBXSA-N 1 0 380.432 2.968 20 0 GFADRO CO[C@@H](CC(C)C)CS(=O)(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000420661929 563270952 /nfs/dbraw/zinc/27/09/52/563270952.db2.gz IPCNVMZKMHJBJL-IRXDYDNUSA-N 1 0 388.599 2.941 20 0 GFADRO Cc1c(Br)cccc1C[NH+]1CCC([C@]2(C)NC(=O)NC2=O)CC1 ZINC000371290208 563271836 /nfs/dbraw/zinc/27/18/36/563271836.db2.gz AKAZQEFFKRJOKX-KRWDZBQOSA-N 1 0 380.286 2.568 20 0 GFADRO Cc1ccc(C[NH2+]Cc2cc(Br)c3c(c2)OCCCO3)c(=O)n1C ZINC000278833259 563273094 /nfs/dbraw/zinc/27/30/94/563273094.db2.gz VGWZCYNSSLOXEQ-UHFFFAOYSA-N 1 0 393.281 2.907 20 0 GFADRO C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl)[N@@H+]1CC[C@@]2(CNC(=O)C2)C1 ZINC000278930018 563276778 /nfs/dbraw/zinc/27/67/78/563276778.db2.gz SNXDGGKYPCJNMH-VNBZBWLYSA-N 1 0 384.307 2.771 20 0 GFADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)Cc1cccc(Cl)c1Cl ZINC000278970233 563278181 /nfs/dbraw/zinc/27/81/81/563278181.db2.gz FPJACWNCAFYAKW-HNNXBMFYSA-N 1 0 386.323 2.595 20 0 GFADRO CSC1(CNS(=O)(=O)c2cc(F)ccc2OC(F)F)CC[NH+](C)CC1 ZINC000420716242 563279039 /nfs/dbraw/zinc/27/90/39/563279039.db2.gz CAURWWMLGVBBCB-UHFFFAOYSA-N 1 0 398.472 2.533 20 0 GFADRO Cc1cn2c(n1)CC[C@@H]([NH2+][C@H](C)C(=O)Nc1cccc(Br)c1)C2 ZINC000371490065 563279101 /nfs/dbraw/zinc/27/91/01/563279101.db2.gz CKCRYWWOVNIXEW-IUODEOHRSA-N 1 0 377.286 2.886 20 0 GFADRO COc1ccc(S(=O)(=O)N2CC[C@H]3CC[N@H+](C)[C@H]3C2)c(Cl)c1Cl ZINC000371506432 563279842 /nfs/dbraw/zinc/27/98/42/563279842.db2.gz RIBREBCNWZGTMB-MNOVXSKESA-N 1 0 379.309 2.717 20 0 GFADRO C[N@H+](C[C@@H](O)c1cccc(Br)c1)C[C@@H]1CCCN1c1cccnn1 ZINC000371550243 563281662 /nfs/dbraw/zinc/28/16/62/563281662.db2.gz GODSIJUAUDGOMV-DLBZAZTESA-N 1 0 391.313 2.873 20 0 GFADRO O=C(Nc1ccc(Br)cc1F)C(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000296294883 563282486 /nfs/dbraw/zinc/28/24/86/563282486.db2.gz VHDYJEBWDJGOQU-UHFFFAOYSA-N 1 0 398.276 2.660 20 0 GFADRO CCCC(=O)N1CSC[C@@H]1C(=O)NC1CC[NH+](Cc2ccsc2)CC1 ZINC000371663885 563284612 /nfs/dbraw/zinc/28/46/12/563284612.db2.gz NQEFJRKCRBIMLP-MRXNPFEDSA-N 1 0 381.567 2.530 20 0 GFADRO C[C@@H](CNC(=O)N(C)C[C@@H]1CCC[N@@H+]1C)Oc1ccc(Br)cc1 ZINC000420785712 563285385 /nfs/dbraw/zinc/28/53/85/563285385.db2.gz AMWQOHWCZXAYDW-ZFWWWQNUSA-N 1 0 384.318 2.952 20 0 GFADRO C[C@H](c1ccsc1)N1CCN(C(=O)c2c(Br)cnn2C)CC1 ZINC000296425988 563286462 /nfs/dbraw/zinc/28/64/62/563286462.db2.gz XYVLXQDMNWGGKY-LLVKDONJSA-N 1 0 383.315 2.763 20 0 GFADRO CNS(=O)(=O)c1ccc([C@@H](C)NCc2cnc(Br)s2)cc1 ZINC000296447376 563287269 /nfs/dbraw/zinc/28/72/69/563287269.db2.gz ZZLYKVZMZUYIOF-SECBINFHSA-N 1 0 390.328 2.665 20 0 GFADRO Cc1ccc(NC(=O)[C@H](C)N2CCC3(CC2)SCC(=O)N3C)c(Cl)c1 ZINC000371787622 563287470 /nfs/dbraw/zinc/28/74/70/563287470.db2.gz CWZZGMJDTCYVER-ZDUSSCGKSA-N 1 0 381.929 2.973 20 0 GFADRO CC(C)C[C@@H]([NH2+]C[C@]1(O)CCS(=O)(=O)C1)c1cccc(C(F)(F)F)c1 ZINC000296565970 563292929 /nfs/dbraw/zinc/29/29/29/563292929.db2.gz SONOTHQMEBMMPI-HZPDHXFCSA-N 1 0 379.444 2.932 20 0 GFADRO COC1([C@@H](C)[NH2+]C[C@H](O)COc2c(Cl)cccc2Cl)CCOCC1 ZINC000421027220 563293135 /nfs/dbraw/zinc/29/31/35/563293135.db2.gz GLXPBCDGZBJCEW-OLZOCXBDSA-N 1 0 378.296 2.907 20 0 GFADRO CNC(=O)[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)C1 ZINC000420980529 563293431 /nfs/dbraw/zinc/29/34/31/563293431.db2.gz UVPDSEPYRMZKCH-NXEZZACHSA-N 1 0 377.794 2.754 20 0 GFADRO Cc1c(Br)ccc(C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)c1F ZINC000279356753 563293874 /nfs/dbraw/zinc/29/38/74/563293874.db2.gz DIAZMBLNBSIYGF-CYBMUJFWSA-N 1 0 385.277 2.691 20 0 GFADRO COC[C@@]1(C)CCN(CC(=O)Nc2ccccc2I)C1 ZINC000296661463 563295717 /nfs/dbraw/zinc/29/57/17/563295717.db2.gz JXZVXOXQMXZZSX-HNNXBMFYSA-N 1 0 388.249 2.588 20 0 GFADRO CN(C(=O)CSCC(F)(F)F)C1CC[NH+](CCc2ccncc2)CC1 ZINC000372346137 563303308 /nfs/dbraw/zinc/30/33/08/563303308.db2.gz MDLKCPYCMRKFFV-UHFFFAOYSA-N 1 0 375.460 2.842 20 0 GFADRO Cc1c(Br)ccc(C(=O)N[C@H](C)CC[NH+]2CCN(C)CC2)c1F ZINC000279635423 563303914 /nfs/dbraw/zinc/30/39/14/563303914.db2.gz CCUUVWNXAOTPCB-GFCCVEGCSA-N 1 0 386.309 2.652 20 0 GFADRO COc1c(Cl)cc(NC(=O)C(=O)NC2CCC([NH+](C)C)CC2)cc1Cl ZINC000421287471 563305016 /nfs/dbraw/zinc/30/50/16/563305016.db2.gz IRWZWYGRKOYIQR-UHFFFAOYSA-N 1 0 388.295 2.930 20 0 GFADRO Cc1nc2ccc(Br)cn2c1C(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000279716263 563307716 /nfs/dbraw/zinc/30/77/16/563307716.db2.gz AWVYDLXAVHXXEW-FZMZJTMJSA-N 1 0 379.302 2.960 20 0 GFADRO C[C@@H](Cn1cc(Br)cn1)[NH2+]C[C@H]1CC[C@@H](c2nc(C3CC3)no2)O1 ZINC000372533735 563309184 /nfs/dbraw/zinc/30/91/84/563309184.db2.gz UBVLVNKDCRSQCT-GDLCADMTSA-N 1 0 396.289 2.804 20 0 GFADRO CNC(=O)[C@@H]1CC[N@H+](Cc2cn(-c3ccc(Br)cc3)nc2C)C1 ZINC000421386948 563309642 /nfs/dbraw/zinc/30/96/42/563309642.db2.gz OLBFXBXQHNZTFF-CYBMUJFWSA-N 1 0 377.286 2.511 20 0 GFADRO C[C@H](C(=O)Nc1ccccc1Br)N1CCC[N@H+](CC(C)(C)O)CC1 ZINC000372548031 563309959 /nfs/dbraw/zinc/30/99/59/563309959.db2.gz PNPXPWDJUMDDLV-CQSZACIVSA-N 1 0 398.345 2.555 20 0 GFADRO CC[NH+](CC)CCN(C(=O)c1cccc(Cl)c1C)[C@H]1CCS(=O)(=O)C1 ZINC000279799822 563311067 /nfs/dbraw/zinc/31/10/67/563311067.db2.gz IHPZLENZNVWOEA-HNNXBMFYSA-N 1 0 386.945 2.620 20 0 GFADRO CN(C(=O)c1ccc(S(=O)(=O)c2ccccc2)s1)[C@H]1CCC[NH2+]CC1 ZINC000372573834 563311081 /nfs/dbraw/zinc/31/10/81/563311081.db2.gz MXLHRXUYQMBNCO-AWEZNQCLSA-N 1 0 378.519 2.795 20 0 GFADRO Cc1nc2ccc(Br)cn2c1C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000279813342 563311465 /nfs/dbraw/zinc/31/14/65/563311465.db2.gz HWXCAVVRGNKINU-UKRRQHHQSA-N 1 0 391.313 2.962 20 0 GFADRO O=C(CCCOc1cccc(Cl)c1Cl)NCC[NH+]1CCC(O)CC1 ZINC000296993842 563311704 /nfs/dbraw/zinc/31/17/04/563311704.db2.gz PXBFKWSKQYWOFQ-UHFFFAOYSA-N 1 0 375.296 2.725 20 0 GFADRO C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C1CCOCC1)c1ccc(Br)cn1 ZINC000279917813 563314615 /nfs/dbraw/zinc/31/46/15/563314615.db2.gz HEQALEQKGYIHJS-MLGOLLRUSA-N 1 0 382.302 2.665 20 0 GFADRO C[C@@H]([NH2+][C@@H]1CCN(CCN2CCOCC2)C1)c1ccc(Br)s1 ZINC000372787275 563317581 /nfs/dbraw/zinc/31/75/81/563317581.db2.gz XGBHJTXHAKCAJC-ZIAGYGMSSA-N 1 0 388.375 2.568 20 0 GFADRO CS(=O)(=O)c1ccc(Cl)c(C(=O)N(CCC[NH3+])Cc2ccccc2)c1 ZINC000280036684 563319821 /nfs/dbraw/zinc/31/98/21/563319821.db2.gz ILXGUJPIFWGVJV-UHFFFAOYSA-N 1 0 380.897 2.735 20 0 GFADRO C[C@H](N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000280044158 563320522 /nfs/dbraw/zinc/32/05/22/563320522.db2.gz JCUVJLSLXILUAB-YHAQOWFVSA-N 1 0 392.352 2.774 20 0 GFADRO CSc1ccc([C@H](CNC(=O)NCC[S@](=O)C(C)(C)C)N(C)C)cc1 ZINC000297284671 563322174 /nfs/dbraw/zinc/32/21/74/563322174.db2.gz PPNDZCCONLYTRE-LMKMVOKYSA-N 1 0 385.599 2.858 20 0 GFADRO CC[N@H+](CCOc1ccc(Br)cc1)C[C@H]1CCS(=O)(=O)C1 ZINC000280115449 563322857 /nfs/dbraw/zinc/32/28/57/563322857.db2.gz UWBDLHBSJLWJSA-CYBMUJFWSA-N 1 0 376.316 2.585 20 0 GFADRO CC[C@H](NC(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)[C@H](O)C(F)F ZINC000297359307 563324769 /nfs/dbraw/zinc/32/47/69/563324769.db2.gz VCTDZMJWXGILCB-QEJZJMRPSA-N 1 0 375.485 2.664 20 0 GFADRO OC[C@H](C[NH2+]Cc1cc(Br)ccc1OC(F)F)[C@@H]1CCOC1 ZINC000280177175 563325811 /nfs/dbraw/zinc/32/58/11/563325811.db2.gz BYYZQIAAGOUDHV-PWSUYJOCSA-N 1 0 380.229 2.785 20 0 GFADRO C[C@H](CNC(=O)c1cc(F)c(Br)cc1Cl)N1CC[NH+](C)CC1 ZINC000280194712 563326487 /nfs/dbraw/zinc/32/64/87/563326487.db2.gz QHIDDLGBTGDTBF-SNVBAGLBSA-N 1 0 392.700 2.607 20 0 GFADRO O=C(N1CC[C@@H]2CC[NH2+][C@@H]2C1)C1(c2ccc(Br)cc2)CCOCC1 ZINC000373065853 563327579 /nfs/dbraw/zinc/32/75/79/563327579.db2.gz LFYRESLJRVLGBB-WMLDXEAASA-N 1 0 393.325 2.708 20 0 GFADRO [NH3+]C[C@H](NC(=O)[C@@H]1CCCN1c1ncc(C(F)(F)F)cc1Cl)C1CC1 ZINC000373089252 563328688 /nfs/dbraw/zinc/32/86/88/563328688.db2.gz VJEFIDPNMXSZFU-STQMWFEESA-N 1 0 376.810 2.576 20 0 GFADRO OCC[N@H+](Cc1ccc(I)cc1Cl)C1CCOCC1 ZINC000280272652 563330003 /nfs/dbraw/zinc/33/00/03/563330003.db2.gz RDAAFIBXQQQGID-UHFFFAOYSA-N 1 0 395.668 2.918 20 0 GFADRO O=C(Nc1c(F)cc(F)cc1Br)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000297610222 563331191 /nfs/dbraw/zinc/33/11/91/563331191.db2.gz AJRJFVPXHXCJRV-LLVKDONJSA-N 1 0 392.244 2.696 20 0 GFADRO C[C@@H](NC(=O)N[C@H]1CCC[N@H+](CCCO)C1)c1ccc(Br)cc1 ZINC000297644516 563331549 /nfs/dbraw/zinc/33/15/49/563331549.db2.gz IAYHQMPRSRJVBW-CJNGLKHVSA-N 1 0 384.318 2.656 20 0 GFADRO COc1cccc(C[NH2+][C@H](C)c2ccc(Br)c(S(N)(=O)=O)c2)c1 ZINC000280429042 563336668 /nfs/dbraw/zinc/33/66/68/563336668.db2.gz BCAAODAVBIHJTN-LLVKDONJSA-N 1 0 399.310 2.956 20 0 GFADRO CC[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)N[C@@H]1CC[N@H+](CC)C1 ZINC000422302992 563336874 /nfs/dbraw/zinc/33/68/74/563336874.db2.gz SHBTYILWNVCUEG-LSDHHAIUSA-N 1 0 386.323 2.641 20 0 GFADRO CCCC[C@H](COC)[NH2+][C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000280439551 563337266 /nfs/dbraw/zinc/33/72/66/563337266.db2.gz BYQMXUAQGGGJEZ-WCQYABFASA-N 1 0 393.347 2.952 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cnnn1-c1c(Cl)cccc1Cl ZINC000373552108 563342204 /nfs/dbraw/zinc/34/22/04/563342204.db2.gz NRPLHCXHCNXEQP-VXGBXAGGSA-N 1 0 380.279 2.931 20 0 GFADRO O=S(=O)(c1cccc(Br)c1Cl)N1CCC2(CC[NH2+]2)CC1 ZINC000422550460 563342707 /nfs/dbraw/zinc/34/27/07/563342707.db2.gz BDYMOFBAJIXJEO-UHFFFAOYSA-N 1 0 379.707 2.619 20 0 GFADRO C[C@@H]1C[C@@H](C)N(S(=O)(=O)c2cc(F)c(Br)cc2F)C[C@H]1C[NH3+] ZINC000422553772 563342793 /nfs/dbraw/zinc/34/27/93/563342793.db2.gz KOFMBGIROAREOM-OPRDCNLKSA-N 1 0 397.285 2.721 20 0 GFADRO C[C@@H]1C[C@@H](C)N(S(=O)(=O)c2cc(F)ccc2Br)C[C@@H]1C[NH3+] ZINC000422556355 563343463 /nfs/dbraw/zinc/34/34/63/563343463.db2.gz SSXZRQMMZPMTFR-MXWKQRLJSA-N 1 0 379.295 2.582 20 0 GFADRO CCOc1cc(C[N@@H+]2CC[C@H](C(=O)NCC(F)(F)F)C2)cc(Cl)c1O ZINC000298063942 563343559 /nfs/dbraw/zinc/34/35/59/563343559.db2.gz KIXABTVUVIICRL-NSHDSACASA-N 1 0 380.794 2.945 20 0 GFADRO C[C@H](NC(=O)NC(C)(C)CC[NH3+])c1nc(-c2ccc(Br)cc2)no1 ZINC000422602846 563344667 /nfs/dbraw/zinc/34/46/67/563344667.db2.gz IMRXIEHIURJMLV-JTQLQIEISA-N 1 0 396.289 2.987 20 0 GFADRO CCS(=O)(=O)c1ccc(C[NH2+]C2CCN(Cc3ccccn3)CC2)s1 ZINC000280594237 563345010 /nfs/dbraw/zinc/34/50/10/563345010.db2.gz NNKKUJPGWHALMG-UHFFFAOYSA-N 1 0 379.551 2.691 20 0 GFADRO COc1ccc(Br)c(CC(=O)N2c3ccccc3C[C@H]2C[NH3+])c1 ZINC000422624925 563345321 /nfs/dbraw/zinc/34/53/21/563345321.db2.gz FCVMOKCSUMVAIS-AWEZNQCLSA-N 1 0 375.266 2.917 20 0 GFADRO CC(C)(CC[NH3+])NC(=O)N[C@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O ZINC000422621631 563345339 /nfs/dbraw/zinc/34/53/39/563345339.db2.gz RAERVMPVJJUKMG-ZDUSSCGKSA-N 1 0 387.311 2.915 20 0 GFADRO CCS(=O)(=O)c1ccc(C[NH2+]CC2(CNC(=O)OC(C)(C)C)CC2)s1 ZINC000298175431 563346848 /nfs/dbraw/zinc/34/68/48/563346848.db2.gz UWAVGDJDZIXJDR-UHFFFAOYSA-N 1 0 388.555 2.936 20 0 GFADRO CN(Cc1cccc(Cl)c1Cl)C(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000423000221 563352726 /nfs/dbraw/zinc/35/27/26/563352726.db2.gz UUKLMMNZFOSEJY-LNSITVRQSA-N 1 0 384.307 2.538 20 0 GFADRO CN1C(=O)C[C@@H]([NH2+]CC(=O)NCC(F)(F)F)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000373833020 563352846 /nfs/dbraw/zinc/35/28/46/563352846.db2.gz RLZQPENRYXCRRN-RISCZKNCSA-N 1 0 398.212 2.533 20 0 GFADRO [NH3+]CCCCn1cc(C(=O)N2CCC[C@@H]2c2cccc(Br)c2)nn1 ZINC000423015766 563353103 /nfs/dbraw/zinc/35/31/03/563353103.db2.gz ROMDIBNUQPOWGV-MRXNPFEDSA-N 1 0 392.301 2.757 20 0 GFADRO COc1cc(Br)ccc1CCC[NH2+][C@H](C1CC1)[C@H]1CNCCO1 ZINC000423036534 563353167 /nfs/dbraw/zinc/35/31/67/563353167.db2.gz UHCCSTKQFPRGCD-QZTJIDSGSA-N 1 0 383.330 2.747 20 0 GFADRO CO[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000280773888 563353489 /nfs/dbraw/zinc/35/34/89/563353489.db2.gz RQXMMWXHXWOGFX-LEWSCRJBSA-N 1 0 391.331 2.705 20 0 GFADRO CCS(=O)(=O)CCCCC[NH2+][C@H](c1ccc(C)cc1)[C@H](C)S(C)(=O)=O ZINC000280781601 563354218 /nfs/dbraw/zinc/35/42/18/563354218.db2.gz IJLDFTXWUQBVBX-WMZOPIPTSA-N 1 0 389.583 2.664 20 0 GFADRO CC1(C)CCC[NH2+][C@H]1C(=O)NC[C@H](O)COc1cccc(Cl)c1Cl ZINC000423079219 563354701 /nfs/dbraw/zinc/35/47/01/563354701.db2.gz XTEBLZCWCCJWPE-NHYWBVRUSA-N 1 0 375.296 2.628 20 0 GFADRO C[NH2+][C@H]1CCCN(C(=O)C(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000423093092 563354843 /nfs/dbraw/zinc/35/48/43/563354843.db2.gz FTRHNTFXKLEQNH-BBRMVZONSA-N 1 0 384.307 2.867 20 0 GFADRO Cc1cc(Br)cc(C)c1N1CCC[C@@H](N[C@H](C)C2C[NH2+]C2)C1=O ZINC000423102940 563355593 /nfs/dbraw/zinc/35/55/93/563355593.db2.gz FQONFFRPIFLGSH-CZUORRHYSA-N 1 0 380.330 2.759 20 0 GFADRO C[NH2+]CC1CCN(C(=O)C(=O)N(C)[C@@H](C)c2ccc(Cl)c(Cl)c2)CC1 ZINC000423110709 563355986 /nfs/dbraw/zinc/35/59/86/563355986.db2.gz IJJNQBMFXZUUSL-LBPRGKRZSA-N 1 0 386.323 2.971 20 0 GFADRO C[C@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000423118332 563356473 /nfs/dbraw/zinc/35/64/73/563356473.db2.gz ZZGJLPQIVURNTH-XIKOKIGWSA-N 1 0 384.307 2.725 20 0 GFADRO CCN(Cc1cc(Br)ccc1F)C(=O)c1cn(CCCC[NH3+])nn1 ZINC000423128655 563357187 /nfs/dbraw/zinc/35/71/87/563357187.db2.gz WCASWHCLXLUJCG-UHFFFAOYSA-N 1 0 398.280 2.581 20 0 GFADRO C[C@@H](NC(=O)NC[C@]1([NH+](C)C)CCSC1)c1ccc(Br)cn1 ZINC000280846684 563357470 /nfs/dbraw/zinc/35/74/70/563357470.db2.gz LAZOPYUWWLZNQP-IAQYHMDHSA-N 1 0 387.347 2.642 20 0 GFADRO C[C@@H]([NH2+]C[C@H](CO)Cc1cc(Br)ccc1F)c1cnccc1N ZINC000423156088 563357936 /nfs/dbraw/zinc/35/79/36/563357936.db2.gz MBACUEDMAPNBKK-VXGBXAGGSA-N 1 0 382.277 2.898 20 0 GFADRO C[C@@H](N[C@@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl)[C@@H]1CCC[NH2+]C1 ZINC000423211935 563358464 /nfs/dbraw/zinc/35/84/64/563358464.db2.gz HXEGAGUOJFIDIW-OUAUKWLOSA-N 1 0 380.341 2.680 20 0 GFADRO [NH3+][C@H](CC1CCCCC1)C(=O)NC[C@@H](O)COc1ccccc1Br ZINC000423254503 563359376 /nfs/dbraw/zinc/35/93/76/563359376.db2.gz YGUMXUWTZKSNDP-GDBMZVCRSA-N 1 0 399.329 2.603 20 0 GFADRO C[C@@H](N[C@H](C[NH3+])C1CCCC1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000423510936 563362021 /nfs/dbraw/zinc/36/20/21/563362021.db2.gz SXLUGBQENQYSGL-YMTOWFKASA-N 1 0 380.341 2.809 20 0 GFADRO C[C@H]1c2c(Cl)cc(Cl)cc2CCN1C(=O)C(=O)N1CCC(C[NH3+])CC1 ZINC000423546546 563362175 /nfs/dbraw/zinc/36/21/75/563362175.db2.gz FMACVUZMZJPMKL-NSHDSACASA-N 1 0 384.307 2.636 20 0 GFADRO C[C@H]1c2c(Cl)cc(Cl)cc2CCN1C(=O)C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000423547197 563362204 /nfs/dbraw/zinc/36/22/04/563362204.db2.gz FWIIBVSPJQNIQD-BBATYDOGSA-N 1 0 384.307 2.636 20 0 GFADRO Cc1nccnc1N1CCN(C[C@@H](O)c2ccc(F)c(Br)c2)CC1 ZINC000374126812 563362489 /nfs/dbraw/zinc/36/24/89/563362489.db2.gz RPWRSQYFZRLNCZ-MRXNPFEDSA-N 1 0 395.276 2.542 20 0 GFADRO Brc1ccc2ncc(C[NH2+][C@@H]3CCCN(c4ccncn4)C3)n2c1 ZINC000374146887 563363104 /nfs/dbraw/zinc/36/31/04/563363104.db2.gz YDUCQDUGNRYUHW-CQSZACIVSA-N 1 0 387.285 2.645 20 0 GFADRO [NH3+]CC[C@H](NC(=O)c1cn(-c2ccc(Br)cc2)cn1)C(F)(F)F ZINC000423750397 563363571 /nfs/dbraw/zinc/36/35/71/563363571.db2.gz UVRYNTHZTQAKNV-LBPRGKRZSA-N 1 0 391.191 2.644 20 0 GFADRO CC1(C)C[NH2+]CC[C@@H]1NC(=O)CNC(=O)c1sc2ccccc2c1Cl ZINC000423740934 563363669 /nfs/dbraw/zinc/36/36/69/563363669.db2.gz JKMULDXPCNRYCH-ZDUSSCGKSA-N 1 0 379.913 2.789 20 0 GFADRO COCCN(Cc1sccc1Br)C(=O)[C@H]1CCC[NH2+][C@H]1C ZINC000423853318 563364066 /nfs/dbraw/zinc/36/40/66/563364066.db2.gz WPZZJJGPVLUING-RYUDHWBXSA-N 1 0 375.332 2.874 20 0 GFADRO CN(C[C@@H](O)c1cccc(Br)c1)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000298684737 563364193 /nfs/dbraw/zinc/36/41/93/563364193.db2.gz UUFNGQRWZXGROV-NPYXIHBLSA-N 1 0 396.329 2.749 20 0 GFADRO C[C@@H]1CC[NH2+][C@H](C(=O)NCc2nc(-c3cccc(Br)c3)no2)C1 ZINC000423927373 563364252 /nfs/dbraw/zinc/36/42/52/563364252.db2.gz INAYOGHHKDKGHK-MFKMUULPSA-N 1 0 379.258 2.503 20 0 GFADRO C[C@H](C[S@](C)=O)[N@H+](C)CCc1nc2sc3c(c2c(N)n1)CC[C@@H](C)C3 ZINC000298722949 563364463 /nfs/dbraw/zinc/36/44/63/563364463.db2.gz BEYLWHARFQLADP-GWGNUCMJSA-N 1 0 380.583 2.640 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)N[C@@H](C[NH3+])C(C)(C)C ZINC000423944910 563364999 /nfs/dbraw/zinc/36/49/99/563364999.db2.gz AHWJMTWEIMQEND-BBRMVZONSA-N 1 0 386.583 2.841 20 0 GFADRO O=C(COc1ccc(Br)cc1F)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000423959885 563365695 /nfs/dbraw/zinc/36/56/95/563365695.db2.gz MZVUUJSQLKODEJ-WFASDCNBSA-N 1 0 385.277 2.958 20 0 GFADRO C[N@@H+]1CCN(CCNC(=O)N2CCSC[C@@H]2c2cccs2)CC1(C)C ZINC000374231010 563366054 /nfs/dbraw/zinc/36/60/54/563366054.db2.gz PPJMNYWMLHGJRU-OAHLLOKOSA-N 1 0 382.599 2.574 20 0 GFADRO Cc1csc(C(=O)N2CC[C@H](C)[C@H](C[NH3+])C2)c1I ZINC000423999999 563366836 /nfs/dbraw/zinc/36/68/36/563366836.db2.gz NRVCNVFINSGRBY-WCBMZHEXSA-N 1 0 378.279 2.718 20 0 GFADRO COc1cc(Br)c(C[NH2+][C@H]2CCO[C@@]3(CCOC3)C2)cc1OC ZINC000374268245 563366901 /nfs/dbraw/zinc/36/69/01/563366901.db2.gz FMXBXFLTIKLDGP-GUYCJALGSA-N 1 0 386.286 2.894 20 0 GFADRO C[C@H]1CCN(C(=O)c2cc(F)c(F)cc2I)C[C@@H]1C[NH3+] ZINC000424004303 563367149 /nfs/dbraw/zinc/36/71/49/563367149.db2.gz FEFNOMDVXNWBHD-IUCAKERBSA-N 1 0 394.203 2.626 20 0 GFADRO [NH3+]Cc1cn([C@@H]2CCCN(C(=O)CCc3ccc(Cl)cc3Cl)C2)nn1 ZINC000424006525 563367211 /nfs/dbraw/zinc/36/72/11/563367211.db2.gz UBUUVCPEHQZIHV-OAHLLOKOSA-N 1 0 382.295 2.840 20 0 GFADRO C[C@@H]1CN(C(=O)c2sccc2Br)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000374318113 563368314 /nfs/dbraw/zinc/36/83/14/563368314.db2.gz PCYULHKQLSYNHT-OCCSQVGLSA-N 1 0 386.359 2.609 20 0 GFADRO C[C@@H]([NH2+]CC1(S(C)(=O)=O)CCC1)c1ccc(I)cc1 ZINC000281299975 563372674 /nfs/dbraw/zinc/37/26/74/563372674.db2.gz YPQHMLFWYGEDDM-LLVKDONJSA-N 1 0 393.290 2.909 20 0 GFADRO CCOCCOc1ccc(Br)cc1C[NH2+]C[C@H]1CCN(C)C(=O)C1 ZINC000424194349 563373367 /nfs/dbraw/zinc/37/33/67/563373367.db2.gz WGPJIUYFEYPMNQ-AWEZNQCLSA-N 1 0 399.329 2.822 20 0 GFADRO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)[C@@H]2CSCCS2)c1 ZINC000299065816 563374597 /nfs/dbraw/zinc/37/45/97/563374597.db2.gz OGOADRRIYVHLQL-INIZCTEOSA-N 1 0 381.567 2.545 20 0 GFADRO C[C@@H]1CC2(CN1C(=O)c1csc(I)c1)CC[NH2+]CC2 ZINC000424237773 563375472 /nfs/dbraw/zinc/37/54/72/563375472.db2.gz MJYKUZDSJKEVLB-SNVBAGLBSA-N 1 0 390.290 2.957 20 0 GFADRO O=C(Cn1cc(Br)cn1)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000299136133 563375670 /nfs/dbraw/zinc/37/56/70/563375670.db2.gz NBSDVQBLDLUWQL-UHFFFAOYSA-N 1 0 377.286 2.923 20 0 GFADRO CCOc1cc(C[NH2+]C2CCN(C(=O)OC)CC2)cc(Br)c1O ZINC000299173031 563377394 /nfs/dbraw/zinc/37/73/94/563377394.db2.gz MIBXMCLVBKBCMT-UHFFFAOYSA-N 1 0 387.274 2.874 20 0 GFADRO COc1ccc(NC(=O)N[C@@H]2CCCC[C@H]2[NH3+])c(I)c1 ZINC000424420264 563378701 /nfs/dbraw/zinc/37/87/01/563378701.db2.gz VGRUDUPCXPNEFM-DGCLKSJQSA-N 1 0 389.237 2.691 20 0 GFADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)C(C)(C)c1ccccc1Br ZINC000281521936 563379414 /nfs/dbraw/zinc/37/94/14/563379414.db2.gz XYZGSRZOXUAFCC-HNNXBMFYSA-N 1 0 396.373 2.869 20 0 GFADRO COc1c(Br)ccc(C)c1C(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000424575475 563382117 /nfs/dbraw/zinc/38/21/17/563382117.db2.gz XEIZTEMRXSMHAT-OKILXGFUSA-N 1 0 399.329 2.995 20 0 GFADRO C[N@@H+]1CCN(CCNC(=O)c2cc3ccc(Br)cc3[nH]2)CC1(C)C ZINC000281658842 563382464 /nfs/dbraw/zinc/38/24/64/563382464.db2.gz CFILVHRLRIMPIF-UHFFFAOYSA-N 1 0 393.329 2.686 20 0 GFADRO CCOC(=O)CCC[NH+]1CCC(C(=O)Nc2ccc(Br)cn2)CC1 ZINC000299505379 563385107 /nfs/dbraw/zinc/38/51/07/563385107.db2.gz AALSUTNDHFBGSZ-UHFFFAOYSA-N 1 0 398.301 2.838 20 0 GFADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)c3cc(=O)[nH]c4ccc(Br)cc43)[C@H]2C1 ZINC000374882006 563385181 /nfs/dbraw/zinc/38/51/81/563385181.db2.gz PAGQOKJUJACOJA-BZNIZROVSA-N 1 0 390.281 2.869 20 0 GFADRO C[NH+](C)CCN1CCC(Nc2ncnc3ccc(Br)cc32)CC1 ZINC000301062544 563392464 /nfs/dbraw/zinc/39/24/64/563392464.db2.gz AIOHKFBTOXAYBK-UHFFFAOYSA-N 1 0 378.318 2.830 20 0 GFADRO COC(=O)Cc1csc(NC(=O)C[NH2+][C@H](C)c2ccccc2SC)n1 ZINC000281992987 563393108 /nfs/dbraw/zinc/39/31/08/563393108.db2.gz IJIUUTRKZIQNIH-LLVKDONJSA-N 1 0 379.507 2.870 20 0 GFADRO COc1ncc(C(=O)N2CC[N@@H+]([C@@H]3C[C@H]3C)C[C@H](C)C2)cc1Br ZINC000424849325 563394895 /nfs/dbraw/zinc/39/48/95/563394895.db2.gz OXBVFTSVFBIZLZ-YWPYICTPSA-N 1 0 382.302 2.655 20 0 GFADRO C[N@@H+]1CCC[C@H](CCNC(=O)Cc2noc3ccc(Br)cc32)C1 ZINC000424896838 563395887 /nfs/dbraw/zinc/39/58/87/563395887.db2.gz RKKPABMKMKKDTR-GFCCVEGCSA-N 1 0 380.286 2.981 20 0 GFADRO [NH3+][C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(S(=O)(=O)c2ccccc2)s1 ZINC000375259453 563397270 /nfs/dbraw/zinc/39/72/70/563397270.db2.gz CVIIKHYVBGEQDA-BTTYYORXSA-N 1 0 376.503 2.675 20 0 GFADRO C[C@H](NC(=O)C[NH2+][C@@H]1CCC(=O)N[C@H]1C1CC1)c1ccc(Cl)c(Cl)c1 ZINC000375338324 563400647 /nfs/dbraw/zinc/40/06/47/563400647.db2.gz QSUXXSUANFLFAP-VDYXNGCNSA-N 1 0 384.307 2.817 20 0 GFADRO C[C@H](NC(=O)C[NH2+][C@@H]1CCC(=O)N[C@@H]1C1CC1)c1ccc(Cl)cc1Cl ZINC000375351042 563401263 /nfs/dbraw/zinc/40/12/63/563401263.db2.gz BKNMYUSSUFZEJR-WQFPPAFTSA-N 1 0 384.307 2.817 20 0 GFADRO C[N@@H+]1C[C@@H]2CCCN(C(=O)c3ccc(F)c(I)c3)[C@@H]2C1 ZINC000425061194 563402638 /nfs/dbraw/zinc/40/26/38/563402638.db2.gz XZZKUGOPNCUTGK-SMDDNHRTSA-N 1 0 388.224 2.597 20 0 GFADRO C[N@@H+]1C[C@@H]2CCCN(C(=O)c3cc(Br)cnc3OCC3CC3)[C@@H]2C1 ZINC000425063710 563402744 /nfs/dbraw/zinc/40/27/44/563402744.db2.gz GBBMZHQLYQYOEE-XJKSGUPXSA-N 1 0 394.313 2.799 20 0 GFADRO Cc1c([C@H](C)[NH2+]CC2([S@@](C)=O)CC2)nnn1-c1cccc(Br)c1 ZINC000282325080 563407253 /nfs/dbraw/zinc/40/72/53/563407253.db2.gz NTVBZUBRDYFWGK-BSNNYGBQSA-N 1 0 397.342 2.900 20 0 GFADRO COc1cc(Br)ccc1CCCN1CCC[N@@H+]([C@H](C)CO)CC1 ZINC000375497257 563407513 /nfs/dbraw/zinc/40/75/13/563407513.db2.gz RBTWPVPUULASHW-OAHLLOKOSA-N 1 0 385.346 2.779 20 0 GFADRO COCCn1cc(C[NH2+][C@H](C)CC(=O)Nc2ccc(Br)cc2)cn1 ZINC000282420318 563410724 /nfs/dbraw/zinc/41/07/24/563410724.db2.gz CRTWBVMHNCIPBP-CYBMUJFWSA-N 1 0 395.301 2.799 20 0 GFADRO COc1cc2[nH+]ccc(N[C@@H](C)CN3CCCC3=O)c2cc1Br ZINC000425214837 563411802 /nfs/dbraw/zinc/41/18/02/563411802.db2.gz KQNUZVLGCRKJSE-NSHDSACASA-N 1 0 378.270 2.851 20 0 GFADRO C[N@@H+]1C[C@@H]2CCCN(S(=O)(=O)c3cc(Br)ccc3Cl)[C@@H]2C1 ZINC000425216214 563412171 /nfs/dbraw/zinc/41/21/71/563412171.db2.gz PYTWLNCWYUKZHA-GXFFZTMASA-N 1 0 393.734 2.817 20 0 GFADRO COC(=O)C[C@H]1CN(c2cc[nH+]c3cc(OC)c(Br)cc32)CCO1 ZINC000425223310 563412564 /nfs/dbraw/zinc/41/25/64/563412564.db2.gz CBNQCWWOSSJKGN-NSHDSACASA-N 1 0 395.253 2.774 20 0 GFADRO Cc1cc(NCc2ccc(N3CC[NH+](C)CC3)nc2)ncc1Br ZINC000301831084 563413068 /nfs/dbraw/zinc/41/30/68/563413068.db2.gz QGKGLQDLHPZABH-UHFFFAOYSA-N 1 0 376.302 2.911 20 0 GFADRO COC(=O)[C@H](C)C[NH+]1CCC(C(=O)Nc2ccccc2Br)CC1 ZINC000375676825 563413728 /nfs/dbraw/zinc/41/37/28/563413728.db2.gz XYZSMUABKMZEIF-GFCCVEGCSA-N 1 0 383.286 2.909 20 0 GFADRO CCOc1c(Br)cc(C[NH2+]CC2([S@@](C)=O)CC2)cc1OC ZINC000282506817 563414153 /nfs/dbraw/zinc/41/41/53/563414153.db2.gz XDWLZFFLOSEFLL-OAQYLSRUSA-N 1 0 376.316 2.857 20 0 GFADRO CCOc1c(Br)cc(C[NH2+]CC2([S@](C)=O)CC2)cc1OC ZINC000282506813 563414187 /nfs/dbraw/zinc/41/41/87/563414187.db2.gz XDWLZFFLOSEFLL-NRFANRHFSA-N 1 0 376.316 2.857 20 0 GFADRO COC(=O)c1sc(N2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)nc1Cl ZINC000301969144 563417488 /nfs/dbraw/zinc/41/74/88/563417488.db2.gz ZVRGVMUSNOAKFO-VXGBXAGGSA-N 1 0 387.933 2.909 20 0 GFADRO O=C(c1cc2ccc(Br)cc2[nH]1)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000375789731 563418418 /nfs/dbraw/zinc/41/84/18/563418418.db2.gz JNIXPGMSGNBZOH-IAGOWNOFSA-N 1 0 392.297 2.602 20 0 GFADRO CC(=O)NC1CCC([NH2+]CC(=O)Nc2ccc(Br)c(C)c2)CC1 ZINC000425369867 563419969 /nfs/dbraw/zinc/41/99/69/563419969.db2.gz NAZYIPKTUDSGDH-UHFFFAOYSA-N 1 0 382.302 2.733 20 0 GFADRO Cc1[nH]c(=O)c(Br)cc1C(=O)N1CCCC2(CC[NH+](C)CC2)C1 ZINC000375822237 563420179 /nfs/dbraw/zinc/42/01/79/563420179.db2.gz DLKGVHPPBQGUFR-UHFFFAOYSA-N 1 0 382.302 2.806 20 0 GFADRO COc1ccc([C@H]2CC[N@H+](Cc3ccc(S(=O)(=O)N(C)C)s3)C2)cc1 ZINC000425394694 563420533 /nfs/dbraw/zinc/42/05/33/563420533.db2.gz FWAHFEPKRFENGA-HNNXBMFYSA-N 1 0 380.535 2.997 20 0 GFADRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)NCCCCn2cc(Br)cn2)C1 ZINC000375985365 563425432 /nfs/dbraw/zinc/42/54/32/563425432.db2.gz DPYFYUHDEADSRS-GOEBONIOSA-N 1 0 398.349 2.552 20 0 GFADRO COC(=O)[C@@H](C1CC1)N1C[C@H](C(=O)OC)[C@@H](c2ccc(Br)cc2)C1 ZINC000425522523 563426274 /nfs/dbraw/zinc/42/62/74/563426274.db2.gz WPWDYYZWJJXEHT-OWCLPIDISA-N 1 0 396.281 2.589 20 0 GFADRO COC(=O)[C@H](C1CC1)N1C[C@H](C(=O)OC)[C@@H](c2ccc(Br)cc2)C1 ZINC000425522525 563426528 /nfs/dbraw/zinc/42/65/28/563426528.db2.gz WPWDYYZWJJXEHT-PMPSAXMXSA-N 1 0 396.281 2.589 20 0 GFADRO CCCC[N@H+](C)[C@H](C)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000302799880 563430681 /nfs/dbraw/zinc/43/06/81/563430681.db2.gz RHRMVWAJDOMKMT-GFCCVEGCSA-N 1 0 375.922 2.649 20 0 GFADRO C[C@H](N[C@H](C[NH+](C)C)c1ccc(Cl)cc1)c1cccc(S(N)(=O)=O)c1 ZINC000282951970 563430964 /nfs/dbraw/zinc/43/09/64/563430964.db2.gz CAPNEDPCQVQLDW-SCLBCKFNSA-N 1 0 381.929 2.941 20 0 GFADRO CC1CC[NH+](CCNC(=O)NCCOc2ccc(Br)cc2)CC1 ZINC000302946257 563432047 /nfs/dbraw/zinc/43/20/47/563432047.db2.gz CFDLRTCDQJVCRS-UHFFFAOYSA-N 1 0 384.318 2.859 20 0 GFADRO O=C(NC[C@@H]1CCCC[N@H+]1CCO)Nc1cc(Cl)ccc1OC(F)F ZINC000425716661 563432818 /nfs/dbraw/zinc/43/28/18/563432818.db2.gz SHGJZTTXMKBQIG-LBPRGKRZSA-N 1 0 377.819 2.910 20 0 GFADRO CCC[NH+]1CCC(N2CCN([C@H](C)c3ncc(Br)cn3)CC2)CC1 ZINC000376503395 563443773 /nfs/dbraw/zinc/44/37/73/563443773.db2.gz AFUUMRAFGSOOEZ-OAHLLOKOSA-N 1 0 396.377 2.792 20 0 GFADRO C[C@@H]1OCC[C@]1(O)C[NH2+]Cc1ccc(OC(F)(F)F)c(Br)c1 ZINC000318677355 563444147 /nfs/dbraw/zinc/44/41/47/563444147.db2.gz MSMPSZLMPYQQET-ZANVPECISA-N 1 0 384.192 2.977 20 0 GFADRO Cc1cc(NC(=O)C(=O)N[C@H]2C[N@H+](C3CC3)C[C@@H]2C)cc(C)c1Br ZINC000426286377 563447765 /nfs/dbraw/zinc/44/77/65/563447765.db2.gz NOFSLBFKVDXEJY-WFASDCNBSA-N 1 0 394.313 2.603 20 0 GFADRO [NH3+]C[C@@H]1CCCC[C@]12NC(=O)N(Cc1cc(Br)ccc1F)C2=O ZINC000321235680 563448127 /nfs/dbraw/zinc/44/81/27/563448127.db2.gz IAXQDTQQFYGFRX-ZBEGNZNMSA-N 1 0 384.249 2.528 20 0 GFADRO Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)[NH2+]CCc1nnc(C(C)C)s1 ZINC000426349219 563449547 /nfs/dbraw/zinc/44/95/47/563449547.db2.gz UAFKDVXTEYKHLC-ZDUSSCGKSA-N 1 0 382.555 2.819 20 0 GFADRO COc1ccc(C[NH2+]C[C@@H](O)COc2cccc(Br)c2)cc1OC ZINC000324210602 563452071 /nfs/dbraw/zinc/45/20/71/563452071.db2.gz PJDOLVLALWBIDQ-OAHLLOKOSA-N 1 0 396.281 2.996 20 0 GFADRO COCC[N@H+](Cc1ccc(Br)cc1N1CCOCC1)[C@@H]1CCOC1 ZINC000426528927 563452720 /nfs/dbraw/zinc/45/27/20/563452720.db2.gz IFJSAMUNWIPJHQ-QGZVFWFLSA-N 1 0 399.329 2.523 20 0 GFADRO Cn1nc(C(F)(F)F)c(C[NH2+]C[C@@H]2CCC3(CCOCC3)[C@H]2O)c1Cl ZINC000376750834 563452937 /nfs/dbraw/zinc/45/29/37/563452937.db2.gz MMJVOFHCDFDRBE-GWCFXTLKSA-N 1 0 381.826 2.750 20 0 GFADRO COC(=O)c1ccc(C[NH2+][C@@H]2CCN(c3cccc(Br)c3)C2)[nH]1 ZINC000426537141 563453039 /nfs/dbraw/zinc/45/30/39/563453039.db2.gz DZOXCPJGIBNAJB-CQSZACIVSA-N 1 0 378.270 2.932 20 0 GFADRO CN(CCOc1ccc(Br)cc1)C[C@H]1CCCS(=O)(=O)C1 ZINC000283996338 563461080 /nfs/dbraw/zinc/46/10/80/563461080.db2.gz GLUHKURJHOSGNK-CYBMUJFWSA-N 1 0 376.316 2.585 20 0 GFADRO O=C1NC(=O)[C@]2(CCC[N@@H+](Cc3cnc(-c4ccc(Cl)cc4)s3)C2)N1 ZINC000284241340 563468896 /nfs/dbraw/zinc/46/88/96/563468896.db2.gz FCORZLBEJUVAPO-QGZVFWFLSA-N 1 0 376.869 2.638 20 0 GFADRO Cc1cc(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)nn1-c1ccc(Br)cc1 ZINC000427563747 563469441 /nfs/dbraw/zinc/46/94/41/563469441.db2.gz GVXSMLNVVLAEFR-MEDUHNTESA-N 1 0 377.286 2.671 20 0 GFADRO C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2[nH]nc(C3CC3)c2Br)C1 ZINC000328993843 563469853 /nfs/dbraw/zinc/46/98/53/563469853.db2.gz DVXDVIPOFKZWNP-UONOGXRCSA-N 1 0 389.297 2.877 20 0 GFADRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)c1cc(I)ccc1Cl ZINC000427594248 563470064 /nfs/dbraw/zinc/47/00/64/563470064.db2.gz XGFHEFJNXAIUMQ-PELKAZGASA-N 1 0 378.641 2.672 20 0 GFADRO C[N@@H+]1C[C@H](NC(=O)c2[nH]nc(C3CC3)c2Br)[C@H](c2ccccc2)C1 ZINC000328993841 563470036 /nfs/dbraw/zinc/47/00/36/563470036.db2.gz DVXDVIPOFKZWNP-KBPBESRZSA-N 1 0 389.297 2.877 20 0 GFADRO Cc1noc([C@H]2CCN([C@@H]3CCN(c4cccc(Br)c4)C3=O)C2)n1 ZINC000329024266 563470385 /nfs/dbraw/zinc/47/03/85/563470385.db2.gz JBTSWLJBKLBHIS-SWLSCSKDSA-N 1 0 391.269 2.735 20 0 GFADRO Cc1cc(C(=O)NCC2=CC[NH2+]CC2)nn1-c1ccc(Br)cc1 ZINC000427614655 563470492 /nfs/dbraw/zinc/47/04/92/563470492.db2.gz XWPLWBDTQBRJTK-UHFFFAOYSA-N 1 0 375.270 2.593 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)C(=O)N[C@@H]1CCCc2sccc21)c1cccs1 ZINC000284378878 563473202 /nfs/dbraw/zinc/47/32/02/563473202.db2.gz LZVGCPAALHILEV-KGLIPLIRSA-N 1 0 377.535 2.722 20 0 GFADRO Cc1nc(C)c(S(=O)(=O)N[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC000329238424 563476419 /nfs/dbraw/zinc/47/64/19/563476419.db2.gz LCJXQMRZFAPBCC-DYVFJYSZSA-N 1 0 379.551 2.949 20 0 GFADRO Cn1nccc1[C@H]1[C@H]([NH2+]Cc2cccc(Br)c2)CCC(=O)N1C ZINC000284485120 563476947 /nfs/dbraw/zinc/47/69/47/563476947.db2.gz JHSGJYFFSDPNAF-RHSMWYFYSA-N 1 0 377.286 2.634 20 0 GFADRO C[N@@H+]1CCC[C@@H]2CN(Cc3ncc(I)s3)CC[C@H]21 ZINC000377547300 563478645 /nfs/dbraw/zinc/47/86/45/563478645.db2.gz CILSQKLEDRRRNU-GHMZBOCLSA-N 1 0 377.295 2.664 20 0 GFADRO C[C@@H](CCCC[NH3+])NS(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC000427949763 563478962 /nfs/dbraw/zinc/47/89/62/563478962.db2.gz YRDRVXGYARUIMF-KBPBESRZSA-N 1 0 390.933 2.551 20 0 GFADRO O=C1NC(=O)N2CCN(Cc3ncc(-c4ccc(Br)cc4)o3)C[C@H]12 ZINC000329425832 563479994 /nfs/dbraw/zinc/47/99/94/563479994.db2.gz IPPNVPWWBAFGMZ-GFCCVEGCSA-N 1 0 391.225 2.680 20 0 GFADRO CN(C)c1cc[nH+]cc1C(=O)N[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000428064124 563481828 /nfs/dbraw/zinc/48/18/28/563481828.db2.gz WPNYISZPDQDDRK-AWEZNQCLSA-N 1 0 389.297 2.919 20 0 GFADRO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]Cc1ccccc1-n1ccnc1 ZINC000428241278 563486176 /nfs/dbraw/zinc/48/61/76/563486176.db2.gz DXXMSQFVXHEKHJ-AWEZNQCLSA-N 1 0 387.281 2.975 20 0 GFADRO Cc1ncc(C[N@@H+]2CC[C@@H](NC(=O)Cc3c(C)noc3Cl)[C@@H](C)C2)s1 ZINC000377770693 563486522 /nfs/dbraw/zinc/48/65/22/563486522.db2.gz AOKNEYKYUGWWRB-ZUZCIYMTSA-N 1 0 382.917 2.971 20 0 GFADRO CC(C)n1cc(S(=O)(=O)NC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)cn1 ZINC000329755424 563487647 /nfs/dbraw/zinc/48/76/47/563487647.db2.gz YBEPEBRUJWJRHR-PBHICJAKSA-N 1 0 382.555 2.887 20 0 GFADRO CCS(=O)(=O)c1ccc([C@H](C)[NH2+]CC(=O)NCc2sccc2C)cc1 ZINC000284824535 563491116 /nfs/dbraw/zinc/49/11/16/563491116.db2.gz RFRJHXTWEIPXCW-AWEZNQCLSA-N 1 0 380.535 2.817 20 0 GFADRO C[N@@H+]1CCC[C@@H]2CN(S(=O)(=O)c3csc(-c4ccccc4)n3)CC[C@H]21 ZINC000330034913 563494133 /nfs/dbraw/zinc/49/41/33/563494133.db2.gz BJQQYCNMEOVCNC-HZPDHXFCSA-N 1 0 377.535 2.915 20 0 GFADRO CN(C)c1ncc(C[NH2+]C[C@H](CO)Cc2ccccc2Br)s1 ZINC000428534770 563494571 /nfs/dbraw/zinc/49/45/71/563494571.db2.gz GDJBATYHTHLTQU-GFCCVEGCSA-N 1 0 384.343 2.912 20 0 GFADRO Brc1cc(C[NH2+][C@H]2CCc3c[nH]nc3C2)cc2c1OCCCO2 ZINC000378103596 563495990 /nfs/dbraw/zinc/49/59/90/563495990.db2.gz NXCVPPYUWSVEQR-ZDUSSCGKSA-N 1 0 378.270 2.981 20 0 GFADRO Cc1ccc(NC(=O)c2cc3c(s2)CCS(=O)(=O)C3)c(C[NH+](C)C)c1 ZINC000378143180 563497143 /nfs/dbraw/zinc/49/71/43/563497143.db2.gz OENHTHWFCRPTLN-UHFFFAOYSA-N 1 0 378.519 2.841 20 0 GFADRO C[C@H](NC(=O)C[N@@H+]1CC[C@H]([C@@H]2CCOC2)C1)c1ccc(Br)cc1 ZINC000378235924 563499798 /nfs/dbraw/zinc/49/97/98/563499798.db2.gz XTLVSBGIMLIFNM-CWRNSKLLSA-N 1 0 381.314 2.985 20 0 GFADRO O=C(NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)N[C@@H](CO)CC(F)F ZINC000428754953 563501384 /nfs/dbraw/zinc/50/13/84/563501384.db2.gz VAFKOTFIVXWHFG-HUUCEWRRSA-N 1 0 375.847 2.792 20 0 GFADRO O=C1[C@@H]([NH2+][C@H](CO)c2ccc(Br)cc2)CCN1c1ccccc1 ZINC000428800599 563501934 /nfs/dbraw/zinc/50/19/34/563501934.db2.gz YAFHMDJGZVRTII-DLBZAZTESA-N 1 0 375.266 2.878 20 0 GFADRO O=C1[C@@H]([NH2+][C@@H](CO)c2ccc(Br)cc2)CCN1c1ccccc1 ZINC000428800603 563501947 /nfs/dbraw/zinc/50/19/47/563501947.db2.gz YAFHMDJGZVRTII-IRXDYDNUSA-N 1 0 375.266 2.878 20 0 GFADRO C[C@H]1CN(C(=O)Nc2ccccc2Br)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000378305944 563502320 /nfs/dbraw/zinc/50/23/20/563502320.db2.gz NMXIHRRQSZTYMV-YOEHRIQHSA-N 1 0 395.345 2.939 20 0 GFADRO Cc1ccc(C[NH+]2CCC([C@]3(C)NC(=O)NC3=O)CC2)cc1Br ZINC000378343139 563503859 /nfs/dbraw/zinc/50/38/59/563503859.db2.gz RNTLZFYXQPOCSJ-KRWDZBQOSA-N 1 0 380.286 2.568 20 0 GFADRO C[C@@H]1CN(C(=O)c2ccc(Br)cc2)CCN1C1CC[NH+](C)CC1 ZINC000378369552 563504255 /nfs/dbraw/zinc/50/42/55/563504255.db2.gz KIZAAASWMOZFPX-CQSZACIVSA-N 1 0 380.330 2.690 20 0 GFADRO Cc1cccc(C(=O)N2CCN(C3CC[NH+](C)CC3)[C@@H](C)C2)c1Br ZINC000378369963 563504541 /nfs/dbraw/zinc/50/45/41/563504541.db2.gz LBZUZDMUTPEDIV-HNNXBMFYSA-N 1 0 394.357 2.998 20 0 GFADRO C[C@@H]1CN(C(=O)Cc2cccc(Br)c2)CCN1C1CC[NH+](C)CC1 ZINC000378366616 563504603 /nfs/dbraw/zinc/50/46/03/563504603.db2.gz BUPYWWPKEORSSE-OAHLLOKOSA-N 1 0 394.357 2.619 20 0 GFADRO C[C@H](NC(=O)c1cc(=O)[nH]c2c(Br)cccc12)[C@@H]1CCC[NH2+]C1 ZINC000428976300 563505777 /nfs/dbraw/zinc/50/57/77/563505777.db2.gz LHPWIGZIYSWEMV-WDEREUQCSA-N 1 0 378.270 2.821 20 0 GFADRO C[C@H](NC[C@H]1CC[N@H+](C)[C@H]1c1cccs1)c1cccc(S(N)(=O)=O)c1 ZINC000378435972 563506573 /nfs/dbraw/zinc/50/65/73/563506573.db2.gz WIWWIRACOMIPRH-JCKWVBRZSA-N 1 0 379.551 2.739 20 0 GFADRO OC[C@H]([NH2+]C[C@H](O)COc1ccccc1)c1ccc(Br)c(F)c1 ZINC000429016002 563508031 /nfs/dbraw/zinc/50/80/31/563508031.db2.gz AIRAOGPZAOZUEU-GUYCJALGSA-N 1 0 384.245 2.651 20 0 GFADRO O=C(CSCc1ccc(Br)cc1F)NCC[C@H]1CC[NH2+]C1 ZINC000429109478 563509876 /nfs/dbraw/zinc/50/98/76/563509876.db2.gz LSUWELLLICYTEY-LLVKDONJSA-N 1 0 375.307 2.937 20 0 GFADRO Oc1cccc2c1C[C@@H]([NH2+]C[C@H](O)COc1cccc(Br)c1)C2 ZINC000429229033 563512455 /nfs/dbraw/zinc/51/24/55/563512455.db2.gz VMJHANFHNHDIFP-GJZGRUSLSA-N 1 0 378.266 2.651 20 0 GFADRO Cc1cc(CC(C)(C)[NH2+]CCS(=O)(=O)N(C)C)ccc1Br ZINC000429245459 563512473 /nfs/dbraw/zinc/51/24/73/563512473.db2.gz KEKFCPQSYDMAMN-UHFFFAOYSA-N 1 0 377.348 2.560 20 0 GFADRO O=C(NCC[C@@H]1CCC[NH2+]C1)c1cc(F)ccc1I ZINC000429216981 563512579 /nfs/dbraw/zinc/51/25/79/563512579.db2.gz QQEXBLKZSKFYMR-JTQLQIEISA-N 1 0 376.213 2.550 20 0 GFADRO Cc1cc(C[NH2+][C@@H]2CCCC[C@H]2NS(C)(=O)=O)ccc1Br ZINC000330617449 563514018 /nfs/dbraw/zinc/51/40/18/563514018.db2.gz XBSSJOFGAIPVQD-HUUCEWRRSA-N 1 0 375.332 2.708 20 0 GFADRO CCOC(=O)CN(C)C(=O)C[NH2+][C@H]1c2cc(Br)ccc2CC1(C)C ZINC000429299568 563514042 /nfs/dbraw/zinc/51/40/42/563514042.db2.gz ZNIDNXGKRAJEIG-KRWDZBQOSA-N 1 0 397.313 2.684 20 0 GFADRO Oc1cccc2c1C[C@@H]([NH2+]C[C@@H](O)COc1ccc(Br)cc1)C2 ZINC000429301893 563514357 /nfs/dbraw/zinc/51/43/57/563514357.db2.gz OZUPWYDUUXSCSS-LSDHHAIUSA-N 1 0 378.266 2.651 20 0 GFADRO C[NH+]1CCN(c2ncccc2CNCc2cscc2Br)CC1 ZINC000285326819 563514499 /nfs/dbraw/zinc/51/44/99/563514499.db2.gz BMVKHBWHSPDMBX-UHFFFAOYSA-N 1 0 381.343 2.947 20 0 GFADRO Cc1cc(S(=O)(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)sc1Br ZINC000380740836 563515366 /nfs/dbraw/zinc/51/53/66/563515366.db2.gz LYXPQLWQGXZRTA-GWCFXTLKSA-N 1 0 379.345 2.569 20 0 GFADRO CNC(=O)c1ccc(C[NH2+][C@](C)(CO)c2ccc(Br)cc2)cc1 ZINC000285350389 563515944 /nfs/dbraw/zinc/51/59/44/563515944.db2.gz DOIJFBGHUKPMST-GOSISDBHSA-N 1 0 377.282 2.806 20 0 GFADRO [NH3+]CC1(NC(=O)c2cc(I)ccc2Cl)CCCC1 ZINC000429413748 563516396 /nfs/dbraw/zinc/51/63/96/563516396.db2.gz WBBPURZQPKYOLA-UHFFFAOYSA-N 1 0 378.641 2.946 20 0 GFADRO C[C@H]1CN(C(C)(C)C[NH2+]Cc2c(Cl)cccc2S(C)(=O)=O)C[C@H](C)O1 ZINC000330667664 563516902 /nfs/dbraw/zinc/51/69/02/563516902.db2.gz UANPOVLZARODNG-KBPBESRZSA-N 1 0 388.961 2.721 20 0 GFADRO CC(C)NS(=O)(=O)NCC[NH2+][C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000429460349 563517209 /nfs/dbraw/zinc/51/72/09/563517209.db2.gz YAFNMAOZEQNAQT-GOSISDBHSA-N 1 0 381.929 2.851 20 0 GFADRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1CC(=O)N(C)Cc1ccccc1Br ZINC000285378867 563517287 /nfs/dbraw/zinc/51/72/87/563517287.db2.gz BJYUTAPZIISUBJ-NVXWUHKLSA-N 1 0 394.357 2.966 20 0 GFADRO CCS(=O)(=O)NCC[NH2+][C@H]1CCN(C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000429766562 563522051 /nfs/dbraw/zinc/52/20/51/563522051.db2.gz CVVGPJXVIKEQPT-DLBZAZTESA-N 1 0 391.940 2.532 20 0 GFADRO CC1(C)C[NH2+]CC[C@@H]1NS(=O)(=O)c1ccc(Cl)c(Br)c1 ZINC000390217176 563522762 /nfs/dbraw/zinc/52/27/62/563522762.db2.gz MPELDTSVNUMSAR-LBPRGKRZSA-N 1 0 381.723 2.769 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1NS(C)(=O)=O)c1ccc(Br)cc1 ZINC000330828771 563523294 /nfs/dbraw/zinc/52/32/94/563523294.db2.gz GOHJQCBVYFZNLI-GLQYFDAESA-N 1 0 375.332 2.960 20 0 GFADRO CCC[NH+]1CCC(NS(=O)(=O)c2cc(Br)cc(OC)c2)CC1 ZINC000330869215 563524734 /nfs/dbraw/zinc/52/47/34/563524734.db2.gz PQFMUVGIRHOXGF-UHFFFAOYSA-N 1 0 391.331 2.610 20 0 GFADRO C[C@@H]([NH3+])[C@@H](C)NS(=O)(=O)c1c(Cl)cc(Br)cc1Cl ZINC000394536975 563530402 /nfs/dbraw/zinc/53/04/02/563530402.db2.gz VCQVIFAGIUKBNW-PHDIDXHHSA-N 1 0 376.103 2.770 20 0 GFADRO C[C@H](C[N@H+](C)CC1(O)CCS(=O)(=O)CC1)Oc1ccc(Cl)c(Cl)c1 ZINC000330938063 563528196 /nfs/dbraw/zinc/52/81/96/563528196.db2.gz BBJZRAUIYQFGKD-GFCCVEGCSA-N 1 0 396.336 2.632 20 0 GFADRO Cc1oc(Br)cc1C(=O)NC[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000396748909 563530901 /nfs/dbraw/zinc/53/09/01/563530901.db2.gz RLBRFWUVUTUAOB-OAHLLOKOSA-N 1 0 393.281 2.981 20 0 GFADRO O=C(C[C@@H]1C[NH2+]CCO1)N1CCC(COc2cc(Cl)cc(Cl)c2)CC1 ZINC000430004468 563530961 /nfs/dbraw/zinc/53/09/61/563530961.db2.gz FZVGSCKRRMEHHO-QGZVFWFLSA-N 1 0 387.307 2.989 20 0 GFADRO CS(=O)(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(OC(F)F)c(Cl)c1 ZINC000331015073 563531785 /nfs/dbraw/zinc/53/17/85/563531785.db2.gz OWGPVQCEOLKQIU-CHWSQXEVSA-N 1 0 382.860 2.891 20 0 GFADRO C[C@@H]([NH2+]C[C@@H]1CNC(=O)C1)c1ccc(Br)cc1Br ZINC000398399749 563532919 /nfs/dbraw/zinc/53/29/19/563532919.db2.gz MYZIPUOALYDXAN-RKDXNWHRSA-N 1 0 376.092 2.998 20 0 GFADRO CCN(C(=O)[C@@H]1C[NH2+]CCO1)[C@@H]1CCSc2ccc(Br)cc21 ZINC000430107366 563533530 /nfs/dbraw/zinc/53/35/30/563533530.db2.gz SVMIVCCCPSJBND-KGLIPLIRSA-N 1 0 385.327 2.823 20 0 GFADRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)CCS(=O)(=O)c1ccc(Cl)cc1 ZINC000285749471 563535309 /nfs/dbraw/zinc/53/53/09/563535309.db2.gz JWCPGVCIGBAPEC-HOCLYGCPSA-N 1 0 384.929 2.589 20 0 GFADRO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NC[C@H](CO)Cc1ccccc1Br ZINC000430152560 563536762 /nfs/dbraw/zinc/53/67/62/563536762.db2.gz DULRHKQXEGVGQU-QLFBSQMISA-N 1 0 383.330 2.589 20 0 GFADRO Cc1[nH]c(=O)c(Br)cc1C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000285898736 563541096 /nfs/dbraw/zinc/54/10/96/563541096.db2.gz YARRADAJESDKBM-LRDDRELGSA-N 1 0 394.313 2.947 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1cc(Br)c2c(c1)OCCO2 ZINC000408044130 563542905 /nfs/dbraw/zinc/54/29/05/563542905.db2.gz SRCRNDHDZYNXMN-ZIAGYGMSSA-N 1 0 381.270 2.577 20 0 GFADRO [NH3+][C@@H]1CCCCCC[C@H]1C(=O)NC[C@H](O)COc1ccccc1Br ZINC000430466006 563543902 /nfs/dbraw/zinc/54/39/02/563543902.db2.gz RJTFDGIMEHRRDB-SQWLQELKSA-N 1 0 399.329 2.603 20 0 GFADRO C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000430559954 563544910 /nfs/dbraw/zinc/54/49/10/563544910.db2.gz UVAKNZFLNZNAGW-SQWLQELKSA-N 1 0 382.346 2.855 20 0 GFADRO C[C@H]1CCCN(CC(=O)Nc2c(F)cc(F)cc2Br)[C@H]1C[NH3+] ZINC000430556618 563545021 /nfs/dbraw/zinc/54/50/21/563545021.db2.gz LCAKLOKRDKWMGY-ZANVPECISA-N 1 0 376.245 2.725 20 0 GFADRO NC(=O)[C@H](c1ccc(Br)cc1F)N1CCC([NH2+]CC2CC2)CC1 ZINC000430566839 563545631 /nfs/dbraw/zinc/54/56/31/563545631.db2.gz TYXYUJLHBIUPFZ-INIZCTEOSA-N 1 0 384.293 2.579 20 0 GFADRO NC(=O)[C@@H](c1ccc(Br)cc1F)N1CCC([NH2+]CC2CC2)CC1 ZINC000430566840 563546123 /nfs/dbraw/zinc/54/61/23/563546123.db2.gz TYXYUJLHBIUPFZ-MRXNPFEDSA-N 1 0 384.293 2.579 20 0 GFADRO CC(C)[C@H]([NH3+])CCN(C)CC(=O)Nc1ccc(I)cc1 ZINC000430594667 563546157 /nfs/dbraw/zinc/54/61/57/563546157.db2.gz LFJNWSDAMQIDCO-CQSZACIVSA-N 1 0 389.281 2.535 20 0 GFADRO CC1(C)CCC[NH2+][C@@H]1CNC(=O)c1cc(F)ccc1I ZINC000430634917 563546944 /nfs/dbraw/zinc/54/69/44/563546944.db2.gz TWLPBXPZFFJCCQ-CYBMUJFWSA-N 1 0 390.240 2.938 20 0 GFADRO CC(C)COCCC[NH2+][C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430698821 563548319 /nfs/dbraw/zinc/54/83/19/563548319.db2.gz NZXVPKGRVZIHJX-LBPRGKRZSA-N 1 0 393.347 2.810 20 0 GFADRO C[C@H](C[NH2+][C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1)C(F)(F)F ZINC000430740744 563548403 /nfs/dbraw/zinc/54/84/03/563548403.db2.gz CEEOHQZNRXRSRL-SFYZADRCSA-N 1 0 389.237 2.946 20 0 GFADRO CCOCCOc1ccc(Br)cc1C[N@@H+]1CC[C@@](C)(C(=O)NC)C1 ZINC000430773052 563548761 /nfs/dbraw/zinc/54/87/61/563548761.db2.gz PRDTUJPBBAUJGZ-GOSISDBHSA-N 1 0 399.329 2.822 20 0 GFADRO C[C@@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)c1ccc(Cl)s1 ZINC000286133756 563549694 /nfs/dbraw/zinc/54/96/94/563549694.db2.gz ZLXNFFQCFJUKQH-RLAWYHOSSA-N 1 0 383.945 2.705 20 0 GFADRO CCCN(CC(=O)Nc1c(F)cc(F)cc1Br)[C@H]1CC[NH2+]C1 ZINC000430961430 563550892 /nfs/dbraw/zinc/55/08/92/563550892.db2.gz DEICYBZCGNOEAC-NSHDSACASA-N 1 0 376.245 2.740 20 0 GFADRO C[N@@H+]1CCCN(C(=O)c2ccc3cc(I)ccc3n2)CC1 ZINC000431463705 563560965 /nfs/dbraw/zinc/56/09/65/563560965.db2.gz IQFDKDOROKBSAT-UHFFFAOYSA-N 1 0 395.244 2.617 20 0 GFADRO Cc1nn(-c2ccc(C(=O)N3C[C@@H](C)[C@@H]([NH3+])C3)cc2)c(C)c1Br ZINC000331900304 563566190 /nfs/dbraw/zinc/56/61/90/563566190.db2.gz ITFBONQOVODUHP-BMIGLBTASA-N 1 0 377.286 2.671 20 0 GFADRO C[NH+]1CCN(c2ccc(NC(=O)c3cccc(F)c3Br)cn2)CC1 ZINC000431748412 563567906 /nfs/dbraw/zinc/56/79/06/563567906.db2.gz GIBNEGKXIZZNQO-UHFFFAOYSA-N 1 0 393.260 2.987 20 0 GFADRO CC1CC[NH+](C[C@H](O)CNC(=O)C2(c3ccc(Br)cc3)CC2)CC1 ZINC000409723774 563569242 /nfs/dbraw/zinc/56/92/42/563569242.db2.gz USAXVVVJPBHIIB-QGZVFWFLSA-N 1 0 395.341 2.690 20 0 GFADRO CCS(=O)(=O)C[C@H](C)NCc1cnn(-c2ccc(C(F)(F)F)cc2)c1 ZINC000286744436 563572953 /nfs/dbraw/zinc/57/29/53/563572953.db2.gz YIWLWBLHIYUTRR-LBPRGKRZSA-N 1 0 375.416 2.804 20 0 GFADRO CC[C@H](Cc1ccccc1Br)C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000286852051 563577556 /nfs/dbraw/zinc/57/75/56/563577556.db2.gz XAMPWTSZLBEFPH-WBVHZDCISA-N 1 0 394.357 2.524 20 0 GFADRO C[C@H]1[NH2+]CCC[C@H]1C(=O)N1CCN(C(=O)c2cccc(Cl)c2Cl)CC1 ZINC000332134021 563578315 /nfs/dbraw/zinc/57/83/15/563578315.db2.gz PIBQYXULBKIRCZ-CHWSQXEVSA-N 1 0 384.307 2.666 20 0 GFADRO C[C@H]1NC(=O)N(CC[NH+]2CCC(c3cccc(Br)c3)CC2)C1=O ZINC000332160208 563580304 /nfs/dbraw/zinc/58/03/04/563580304.db2.gz SLHSECAFASUOHC-GFCCVEGCSA-N 1 0 380.286 2.569 20 0 GFADRO C[C@H]1C[N@H+](CCCNCc2cc3c(cc2Br)OCO3)CCCO1 ZINC000432354602 563581860 /nfs/dbraw/zinc/58/18/60/563581860.db2.gz YQXBUXCAKWAVBT-ZDUSSCGKSA-N 1 0 385.302 2.768 20 0 GFADRO C[NH+](C)[C@H]1CCCN(C(=O)c2c(O)cnc3c(Br)cccc32)C1 ZINC000332235705 563586556 /nfs/dbraw/zinc/58/65/56/563586556.db2.gz SFPYEVOULZJSEN-NSHDSACASA-N 1 0 378.270 2.869 20 0 GFADRO O=C(Nc1cc(F)ccc1Br)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000332248126 563587022 /nfs/dbraw/zinc/58/70/22/563587022.db2.gz BNYIILSWWXZLRB-ZDUSSCGKSA-N 1 0 398.276 2.614 20 0 GFADRO C[C@@H]1CN(C(=O)NC2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)C[C@H]1[NH3+] ZINC000332253714 563587462 /nfs/dbraw/zinc/58/74/62/563587462.db2.gz AJNZJDNUHGLAIL-SJKOYZFVSA-N 1 0 385.339 2.946 20 0 GFADRO Cc1ncc([C@H](C)[NH2+][C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)c(C)n1 ZINC000287160535 563590588 /nfs/dbraw/zinc/59/05/88/563590588.db2.gz TYUATFUADDIWTP-DZGCQCFKSA-N 1 0 380.539 2.659 20 0 GFADRO Cc1cc(NC(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc(C)c1Br ZINC000332302644 563591711 /nfs/dbraw/zinc/59/17/11/563591711.db2.gz GFYBTTFQGCLPJN-QEJZJMRPSA-N 1 0 394.313 2.590 20 0 GFADRO CC[NH+](CC)[C@H](C)CNC(=O)Nc1cccc(C(=O)NC)c1Br ZINC000287249528 563593578 /nfs/dbraw/zinc/59/35/78/563593578.db2.gz CLGGNOFQARGYJL-LLVKDONJSA-N 1 0 385.306 2.661 20 0 GFADRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)NCc3cc(F)c(F)cc3Br)C[C@H]21 ZINC000332345873 563594488 /nfs/dbraw/zinc/59/44/88/563594488.db2.gz TUATYRGINILSHT-ZVWUFJHRSA-N 1 0 388.256 2.996 20 0 GFADRO C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@@H]2COc3c2ccc(Cl)c3Cl)C[C@H]1C ZINC000332376328 563595498 /nfs/dbraw/zinc/59/54/98/563595498.db2.gz ZLTAPJWFKLUHAQ-UHIISALHSA-N 1 0 388.295 2.523 20 0 GFADRO C[C@]1(CN[C@@H]2CCS(=O)(=O)c3ccc(Br)cc32)CCC[NH2+]C1 ZINC000332375826 563595807 /nfs/dbraw/zinc/59/58/07/563595807.db2.gz RNCLAKZRDWKSOZ-ZBFHGGJFSA-N 1 0 387.343 2.647 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCc3cc(Cl)c(Cl)cc3[C@@H]2C)CC[NH2+]1 ZINC000332445059 563598852 /nfs/dbraw/zinc/59/88/52/563598852.db2.gz CYDIEORVDYAJLZ-MDZLAQPJSA-N 1 0 384.307 2.696 20 0 GFADRO CCC[N@H+](CC)CCNC(=O)Nc1cccc(C(=O)NC)c1Br ZINC000287395764 563599988 /nfs/dbraw/zinc/59/99/88/563599988.db2.gz MFHZBRHFXSGYIK-UHFFFAOYSA-N 1 0 385.306 2.662 20 0 GFADRO C[C@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)NCc1ccc(O)c(Br)c1 ZINC000332469562 563600216 /nfs/dbraw/zinc/60/02/16/563600216.db2.gz JSLAUECHZORBLJ-JSGCOSHPSA-N 1 0 382.302 2.923 20 0 GFADRO C[C@H](c1ccccc1Br)[NH+]1CCC([C@@]2(C)NC(=O)NC2=O)CC1 ZINC000332462236 563600425 /nfs/dbraw/zinc/60/04/25/563600425.db2.gz QLZVBECDICYIJS-PIGZYNQJSA-N 1 0 380.286 2.820 20 0 GFADRO CN(C(=O)Nc1ccc(I)cc1Cl)C1CC([NH3+])C1 ZINC000332503846 563602810 /nfs/dbraw/zinc/60/28/10/563602810.db2.gz WVDPOHZTPANMOG-UHFFFAOYSA-N 1 0 379.629 2.898 20 0 GFADRO CC(C)[C@@H](C[NH3+])C(=O)N1CCC(C(=O)Nc2ccccc2Br)CC1 ZINC000433118350 563603265 /nfs/dbraw/zinc/60/32/65/563603265.db2.gz RRJIEONHZXTXEJ-CQSZACIVSA-N 1 0 396.329 2.857 20 0 GFADRO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N(C)CC(=O)Nc1ccccc1Br ZINC000332562828 563604830 /nfs/dbraw/zinc/60/48/30/563604830.db2.gz QSGUBNCGUWHVJH-CHWSQXEVSA-N 1 0 382.302 2.719 20 0 GFADRO C[C@@H]1c2cc(Cl)cc(Cl)c2CCN1C(=O)C(=O)N1CCC(C[NH3+])CC1 ZINC000332579738 563605777 /nfs/dbraw/zinc/60/57/77/563605777.db2.gz FKMVUYWJQJCIHO-LLVKDONJSA-N 1 0 384.307 2.636 20 0 GFADRO C[C@H]1CN(c2ccc(Cl)c(F)c2)CC[N@@H+]1C[C@H](O)COCC(F)(F)F ZINC000433204498 563606826 /nfs/dbraw/zinc/60/68/26/563606826.db2.gz HNSJLSFVUMKQJV-AAEUAGOBSA-N 1 0 384.801 2.929 20 0 GFADRO COCCOc1ccc(Br)cc1NC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000332636269 563608754 /nfs/dbraw/zinc/60/87/54/563608754.db2.gz FJONKRWYXMFTLD-CQSZACIVSA-N 1 0 398.301 2.786 20 0 GFADRO O=c1cc(C[N@H+]2CC[C@H](Cc3ccc(Br)cc3)C2)[nH]c2ccnn21 ZINC000433317820 563609168 /nfs/dbraw/zinc/60/91/68/563609168.db2.gz DWLWLTVKDCCJCX-CQSZACIVSA-N 1 0 387.281 2.850 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)N[C@H]2CCN(c3ccccc3Br)C2)C1 ZINC000332641177 563609709 /nfs/dbraw/zinc/60/97/09/563609709.db2.gz GEXIOVBSWVHAEO-ZNMIVQPWSA-N 1 0 395.345 2.797 20 0 GFADRO O=C(NC1(c2c(Cl)cccc2Cl)CC1)c1ncn([C@@H]2CCC[NH2+]C2)n1 ZINC000433373086 563611262 /nfs/dbraw/zinc/61/12/62/563611262.db2.gz FZCXSYCHLQRIQC-LLVKDONJSA-N 1 0 380.279 2.929 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)[C@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)CC[N@@H+]1C ZINC000332685492 563611882 /nfs/dbraw/zinc/61/18/82/563611882.db2.gz TYAUMZDGHNOMMU-MRVWCRGKSA-N 1 0 384.307 2.945 20 0 GFADRO C[NH+](C)CCN(C1CCCCC1)S(=O)(=O)c1cccnc1C(F)(F)F ZINC000287647449 563611939 /nfs/dbraw/zinc/61/19/39/563611939.db2.gz CEESGFJVEVVWLI-UHFFFAOYSA-N 1 0 379.448 2.985 20 0 GFADRO C[NH+](C)C[C@@H]1CN(Cc2c(F)c(F)c(Br)c(F)c2F)CCO1 ZINC000411247125 563612358 /nfs/dbraw/zinc/61/23/58/563612358.db2.gz PCEIFRDTBUDCGB-MRVPVSSYSA-N 1 0 385.199 2.768 20 0 GFADRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N[C@@H]1COc2cc(F)c(Br)cc21 ZINC000332732107 563613055 /nfs/dbraw/zinc/61/30/55/563613055.db2.gz MSQRCCSTOJIOEI-DFKRKDTASA-N 1 0 398.276 2.804 20 0 GFADRO O=C(N[C@@H](c1cncc(Br)c1)C1CC1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000287752863 563616433 /nfs/dbraw/zinc/61/64/33/563616433.db2.gz INXSDKIMDGTNLI-DLBZAZTESA-N 1 0 391.313 2.951 20 0 GFADRO CS[C@@H]1CN(C(=O)N[C@@H](c2cc(F)ccc2F)C(F)F)C[C@@H]1[NH+](C)C ZINC000433651293 563617076 /nfs/dbraw/zinc/61/70/76/563617076.db2.gz WCYKSTRNUZWTBR-MJBXVCDLSA-N 1 0 379.423 2.958 20 0 GFADRO CN(CC[N@H+](C)C1CC1)C(=O)Nc1ccc2nccnc2c1Br ZINC000287806480 563618726 /nfs/dbraw/zinc/61/87/26/563618726.db2.gz UMKQOZHIGBKFJS-UHFFFAOYSA-N 1 0 378.274 2.950 20 0 GFADRO C[C@H](Cc1ccc(F)c(Br)c1)NC(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000333149504 563622105 /nfs/dbraw/zinc/62/21/05/563622105.db2.gz FBRMZYAZHCBVMD-QOFRNUMZSA-N 1 0 384.293 2.898 20 0 GFADRO COCCC[N@H+](C)CCNC(=O)N(C)Cc1ccc(Br)cc1C ZINC000433919109 563623098 /nfs/dbraw/zinc/62/30/98/563623098.db2.gz MKDLAWOVEVVFHL-UHFFFAOYSA-N 1 0 386.334 2.867 20 0 GFADRO O=C(Nc1cnn(-c2ccccc2Br)c1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000333189824 563623376 /nfs/dbraw/zinc/62/33/76/563623376.db2.gz USEOBYCEQJAKRO-WFASDCNBSA-N 1 0 390.285 2.851 20 0 GFADRO O=C(Nc1nnc(-c2ccc(Cl)cc2F)s1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000333267010 563625955 /nfs/dbraw/zinc/62/59/55/563625955.db2.gz FOMZLJKNDLKTFM-ZANVPECISA-N 1 0 381.864 3.213 20 0 GFADRO CC(C)N1C(=O)C[C@H]([NH2+]C[C@H](C)S(C)(=O)=O)[C@H]1c1ccc(Cl)c(F)c1 ZINC000411638239 563626894 /nfs/dbraw/zinc/62/68/94/563626894.db2.gz ZSEMZGWLLRKAGO-XNJJOIOASA-N 1 0 390.908 2.552 20 0 GFADRO CC(C)OC[C@@H](CO)[N@H+](C)CCC(=O)Nc1ccc(Br)cc1F ZINC000411633765 563627032 /nfs/dbraw/zinc/62/70/32/563627032.db2.gz JWRXCGSLCUPWRS-CYBMUJFWSA-N 1 0 391.281 2.635 20 0 GFADRO O=C1CCC[C@@H]1[C@H]1COCCN1C[C@@H](O)COc1ccc(Cl)cc1Cl ZINC000333339866 563628548 /nfs/dbraw/zinc/62/85/48/563628548.db2.gz SQLZJGVQEOICLP-IIAWOOMASA-N 1 0 388.291 2.803 20 0 GFADRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)Nc3nnc(-c4c(F)cccc4Cl)s3)C[C@@H]12 ZINC000333366520 563629635 /nfs/dbraw/zinc/62/96/35/563629635.db2.gz UKQVBDYICGYWDX-KBVBSXBZSA-N 1 0 381.864 3.199 20 0 GFADRO COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000411678341 563629766 /nfs/dbraw/zinc/62/97/66/563629766.db2.gz UWURAIAFKXROBC-NSHDSACASA-N 1 0 388.295 2.789 20 0 GFADRO CC[NH+]1CCN(CC(=O)N2CC3(CCC3)c3cc(Br)ccc32)CC1 ZINC000434383436 563629962 /nfs/dbraw/zinc/62/99/62/563629962.db2.gz ANLSRCLUPVBVSL-UHFFFAOYSA-N 1 0 392.341 2.855 20 0 GFADRO C[C@H](CNc1cc(Br)cnc1Br)N1CC[NH+](C)CC1 ZINC000288133776 563630039 /nfs/dbraw/zinc/63/00/39/563630039.db2.gz YMPZOIRCYUGAAV-SNVBAGLBSA-N 1 0 392.139 2.654 20 0 GFADRO CCCN(CC[NH+]1CCCC1)[C@@H](C(N)=O)c1ccc(Br)cc1F ZINC000411717221 563630956 /nfs/dbraw/zinc/63/09/56/563630956.db2.gz IALLDENRWIMVGK-MRXNPFEDSA-N 1 0 386.309 2.922 20 0 GFADRO COc1cc(OC)c(NC(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1Br ZINC000333411740 563631676 /nfs/dbraw/zinc/63/16/76/563631676.db2.gz ZXVYHINMOUBIQT-WDEREUQCSA-N 1 0 384.274 2.540 20 0 GFADRO C[C@@H]1[C@H]([N@H+](C)CCO)CCN1Cc1c(F)c(F)c(Br)c(F)c1F ZINC000411759231 563633389 /nfs/dbraw/zinc/63/33/89/563633389.db2.gz PHLWSRQTRFVLDP-PSASIEDQSA-N 1 0 399.226 2.892 20 0 GFADRO O=C(CC[NH2+][C@@H](C1CC1)[C@@]1(CO)CCCO1)Nc1ccc(Br)cc1 ZINC000411771764 563633620 /nfs/dbraw/zinc/63/36/20/563633620.db2.gz OZDMQWZWTPFZME-ROUUACIJSA-N 1 0 397.313 2.687 20 0 GFADRO [NH3+][C@@H]1CCO[C@@H](C2CCN(S(=O)(=O)c3cc(Cl)sc3Cl)CC2)C1 ZINC000333478967 563634091 /nfs/dbraw/zinc/63/40/91/563634091.db2.gz BWWQMQJAPDOPNR-GHMZBOCLSA-N 1 0 399.365 2.962 20 0 GFADRO COCC[C@H](Cc1cccc(Br)c1)C(=O)NC1(C)CC[NH2+]CC1 ZINC000434692072 563635248 /nfs/dbraw/zinc/63/52/48/563635248.db2.gz DFBGYTCTEZEMKQ-OAHLLOKOSA-N 1 0 383.330 2.903 20 0 GFADRO C[C@@H](Sc1ccc(Cl)cc1)C(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000434709241 563635278 /nfs/dbraw/zinc/63/52/78/563635278.db2.gz ULSRZFCCKMEXOY-UKRRQHHQSA-N 1 0 383.945 2.667 20 0 GFADRO C[C@@H]1Cc2cc(S(=O)(=O)N3CC4(C[C@H]3C)CC[NH2+]CC4)cc(Cl)c2O1 ZINC000333568261 563635916 /nfs/dbraw/zinc/63/59/16/563635916.db2.gz MBHKVPBOKIWDRE-CHWSQXEVSA-N 1 0 384.929 2.816 20 0 GFADRO O=C(c1nc2ccc(Br)cn2n1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000333585205 563635971 /nfs/dbraw/zinc/63/59/71/563635971.db2.gz AHNZNYFMEXQIFD-AWEZNQCLSA-N 1 0 392.301 2.582 20 0 GFADRO Cc1cc(C2CCN(C(=O)NC[C@H]3C[NH2+]CCO3)CC2)ccc1Br ZINC000333595393 563636750 /nfs/dbraw/zinc/63/67/50/563636750.db2.gz VRVJAIYNWMTSQM-MRXNPFEDSA-N 1 0 396.329 2.635 20 0 GFADRO O=C(c1ccc(F)cc1Br)N1CCC(n2ncc3c2C[NH2+]C3)CC1 ZINC000333610897 563636796 /nfs/dbraw/zinc/63/67/96/563636796.db2.gz RYKZUNMZVIALBV-UHFFFAOYSA-N 1 0 393.260 2.865 20 0 GFADRO [NH3+][C@H]1CCO[C@H](C2CCN(S(=O)(=O)c3ccc(C(F)(F)F)s3)CC2)C1 ZINC000333645307 563637982 /nfs/dbraw/zinc/63/79/82/563637982.db2.gz IXRFZLOLCCCGTI-RYUDHWBXSA-N 1 0 398.472 2.674 20 0 GFADRO COC[C@H]([NH2+]CC(=O)N[C@@H](C)c1ccc(Cl)c(Cl)c1)[C@H]1CCCO1 ZINC000434782037 563638547 /nfs/dbraw/zinc/63/85/47/563638547.db2.gz DWECEOHCJQMJTQ-KNXALSJPSA-N 1 0 375.296 2.954 20 0 GFADRO C[C@@H](NC(=O)N1CCOc2ccc(Br)cc2C1)[C@H]1CCC[NH2+]C1 ZINC000333731712 563640335 /nfs/dbraw/zinc/64/03/35/563640335.db2.gz WETCIXJQQWKURI-OLZOCXBDSA-N 1 0 382.302 2.741 20 0 GFADRO C[C@@H]1CN(C(=O)Nc2cc(N(C)C)c(Br)cn2)C[C@@H](C2CC2)O1 ZINC000333735311 563640416 /nfs/dbraw/zinc/64/04/16/563640416.db2.gz XETVSXJIDYXQRP-YGRLFVJLSA-N 1 0 383.290 2.941 20 0 GFADRO COc1ccc(Br)cc1[C@H]1CCCN1C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000333758336 563641244 /nfs/dbraw/zinc/64/12/44/563641244.db2.gz ADTSLNQHCUSNIU-CTASWTNQSA-N 1 0 380.286 2.522 20 0 GFADRO C[C@@H](CC[NH+](C)C)NC(=O)c1cc(I)c(F)cc1F ZINC000435009879 563641357 /nfs/dbraw/zinc/64/13/57/563641357.db2.gz WCFBKOOJPDSOQL-QMMMGPOBSA-N 1 0 382.192 2.639 20 0 GFADRO O=C(NC[C@@H]1CCC[NH2+]1)N1CCO[C@@H](c2cc(F)c(Cl)cc2Cl)C1 ZINC000333792112 563641875 /nfs/dbraw/zinc/64/18/75/563641875.db2.gz GINXBKLVNVGZHM-ZUZCIYMTSA-N 1 0 376.259 2.967 20 0 GFADRO [NH3+][C@H]1CCCO[C@@H]1C1CCN(C(=O)c2ccc(Br)c(F)c2)CC1 ZINC000333785215 563641882 /nfs/dbraw/zinc/64/18/82/563641882.db2.gz FIAPXKBRXORGJN-JKSUJKDBSA-N 1 0 385.277 2.947 20 0 GFADRO NC(=O)[C@@]1(c2ccccc2)CC[N@H+](Cc2nc3cc(Br)ccc3[nH]2)C1 ZINC000411960910 563642366 /nfs/dbraw/zinc/64/23/66/563642366.db2.gz FFDCZVHLERZPME-IBGZPJMESA-N 1 0 399.292 2.954 20 0 GFADRO C[C@@H]1Cc2cc(S(=O)(=O)N3CCCC[C@H]3[C@H]3CC[NH2+]C3)cc(Cl)c2O1 ZINC000333813583 563642442 /nfs/dbraw/zinc/64/24/42/563642442.db2.gz GBWGFGNECKGAQF-IGCXYCKISA-N 1 0 384.929 2.816 20 0 GFADRO O=C(C[NH2+][C@H](CO)[C@H]1CCCOC1)Nc1c(Cl)cc(Cl)cc1Cl ZINC000411984353 563643187 /nfs/dbraw/zinc/64/31/87/563643187.db2.gz CRZVLSYKTNWDHA-TVQRCGJNSA-N 1 0 381.687 2.962 20 0 GFADRO O=C(N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)N1CCOc2ccc(Br)cc2C1 ZINC000333869856 563643732 /nfs/dbraw/zinc/64/37/32/563643732.db2.gz BNNROTHCCVGPLO-HEHGZKQESA-N 1 0 394.313 2.741 20 0 GFADRO Cn1cc(Br)cc(NC(=O)NCCC[N@H+](C)C2CCCCC2)c1=O ZINC000435179502 563643880 /nfs/dbraw/zinc/64/38/80/563643880.db2.gz ZBSAIXFLFODLSL-UHFFFAOYSA-N 1 0 399.333 2.924 20 0 GFADRO O=C(NC[C@@H]1C[NH2+]CCCO1)N1CCC(c2ccc(Br)cc2)CC1 ZINC000333870745 563644513 /nfs/dbraw/zinc/64/45/13/563644513.db2.gz UOXSLAOAJCVDPS-KRWDZBQOSA-N 1 0 396.329 2.717 20 0 GFADRO COc1ccc([C@H](C)NC(=O)N2CC[C@]3(CC[NH2+]C3)C2)cc1Br ZINC000333928043 563645935 /nfs/dbraw/zinc/64/59/35/563645935.db2.gz WYKGAGCTKOMBLS-SJCJKPOMSA-N 1 0 382.302 2.914 20 0 GFADRO CN1C(=O)CCc2cc(C[NH2+]CCCn3cc(Br)cn3)ccc21 ZINC000288508872 563645986 /nfs/dbraw/zinc/64/59/86/563645986.db2.gz SUDNLUAOFJYLGB-UHFFFAOYSA-N 1 0 377.286 2.735 20 0 GFADRO COc1ccc([C@H](C)NC(=O)N2CC[C@@]3(CC[NH2+]C3)C2)cc1Br ZINC000333928045 563646211 /nfs/dbraw/zinc/64/62/11/563646211.db2.gz WYKGAGCTKOMBLS-YVEFUNNKSA-N 1 0 382.302 2.914 20 0 GFADRO O=C(Nc1ccc(Br)cc1F)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000333943617 563646642 /nfs/dbraw/zinc/64/66/42/563646642.db2.gz RETWRZVNPXFENY-UHFFFAOYSA-N 1 0 399.308 2.926 20 0 GFADRO O=C(c1cc(-c2ccc(Br)cc2)n[nH]1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000435234133 563647047 /nfs/dbraw/zinc/64/70/47/563647047.db2.gz DWRAGUZSKIDUDN-AWEZNQCLSA-N 1 0 375.270 2.806 20 0 GFADRO COC(=O)[C@@]1(C)CCC[N@H+](CC(=O)N[C@H](C)c2ccc(Br)cc2)C1 ZINC000412095127 563648837 /nfs/dbraw/zinc/64/88/37/563648837.db2.gz FKHQKZXOOIRNSO-ACJLOTCBSA-N 1 0 397.313 2.901 20 0 GFADRO COc1ccc(S(=O)(=O)N[C@H]2CCC[N@@H+](C(C)C)C2)c(Br)c1 ZINC000435438873 563651085 /nfs/dbraw/zinc/65/10/85/563651085.db2.gz QCNFILMBBISEFD-LBPRGKRZSA-N 1 0 391.331 2.609 20 0 GFADRO CC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CC(=O)Nc2ccc(Br)cc21 ZINC000435456222 563651814 /nfs/dbraw/zinc/65/18/14/563651814.db2.gz FONDBDOWSPDKTI-BXUZGUMPSA-N 1 0 382.302 2.721 20 0 GFADRO COC(=O)c1ccc(S(=O)(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)s1 ZINC000435626242 563655532 /nfs/dbraw/zinc/65/55/32/563655532.db2.gz IVJFQXPHMOAFJY-AWEZNQCLSA-N 1 0 386.539 2.610 20 0 GFADRO CCC[C@H]([NH2+]C(C)C)C(=O)N[C@@H]1CCO[C@H]1c1cncc(Br)c1 ZINC000412384426 563655947 /nfs/dbraw/zinc/65/59/47/563655947.db2.gz QEHLHVWAHZLJHL-PMPSAXMXSA-N 1 0 384.318 2.957 20 0 GFADRO CN(CCn1cc(Br)cn1)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000288763047 563656367 /nfs/dbraw/zinc/65/63/67/563656367.db2.gz ZEFZSWUYJYEEMR-UHFFFAOYSA-N 1 0 386.338 2.596 20 0 GFADRO CN(CC[NH2+]Cc1cnc(C2CCC2)s1)S(=O)(=O)c1ccc(F)cc1 ZINC000435750777 563657864 /nfs/dbraw/zinc/65/78/64/563657864.db2.gz ZPZRGJNAOFWDMQ-UHFFFAOYSA-N 1 0 383.514 2.960 20 0 GFADRO CN(C(=O)[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)[C@H]1CCC[NH2+]CC1 ZINC000435753369 563657934 /nfs/dbraw/zinc/65/79/34/563657934.db2.gz QYMBSGYNXSUWIH-JSGCOSHPSA-N 1 0 384.307 2.947 20 0 GFADRO C[C@H]1[NH2+]CCC[C@H]1C(=O)NC[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000288826774 563658953 /nfs/dbraw/zinc/65/89/53/563658953.db2.gz UTEADXSAHLUYAC-JKIFEVAISA-N 1 0 380.330 2.780 20 0 GFADRO CC(C)(O)C1C[NH+](C[C@@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000435908936 563660289 /nfs/dbraw/zinc/66/02/89/563660289.db2.gz RDPQCEVPPBNZFO-GFCCVEGCSA-N 1 0 378.694 2.545 20 0 GFADRO Cc1cnn(C)c1C[NH+]1CCC(C(=O)Nc2ccc(Br)cn2)CC1 ZINC000289056543 563666633 /nfs/dbraw/zinc/66/66/33/563666633.db2.gz ISIMDUYBULHHJH-UHFFFAOYSA-N 1 0 392.301 2.737 20 0 GFADRO COCCC[N@H+](C)CCNC(=O)N[C@@H](C)c1ccc(Br)s1 ZINC000436213977 563667582 /nfs/dbraw/zinc/66/75/82/563667582.db2.gz YRBLKCLOYFTDOD-NSHDSACASA-N 1 0 378.336 2.839 20 0 GFADRO O=C(c1csc(-c2ccccc2Cl)n1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000289091796 563667609 /nfs/dbraw/zinc/66/76/09/563667609.db2.gz BNNJAIKHMYULGC-ZDUSSCGKSA-N 1 0 376.913 2.583 20 0 GFADRO COc1ccc(C[NH2+]CCCNC(=O)c2cccc(Br)c2)cn1 ZINC000436239264 563668475 /nfs/dbraw/zinc/66/84/75/563668475.db2.gz NHCQMUSXJQUZRG-UHFFFAOYSA-N 1 0 378.270 2.762 20 0 GFADRO Cc1cc(Br)ccc1C[N@@H+]1CCC[C@H]1C[C@@]1(C)NC(=O)NC1=O ZINC000289228626 563672517 /nfs/dbraw/zinc/67/25/17/563672517.db2.gz CVFVZXUZPGPEPS-WMLDXEAASA-N 1 0 380.286 2.710 20 0 GFADRO C[C@H]([NH2+]C[C@](C)(O)CNC(=O)OC(C)(C)C)c1ccc(Br)cn1 ZINC000289469655 563675248 /nfs/dbraw/zinc/67/52/48/563675248.db2.gz WUVSCNJQIDQBRL-ZBEGNZNMSA-N 1 0 388.306 2.770 20 0 GFADRO CCCN(CCN1CC[NH+](CC)CC1)C(=O)c1cc(Br)ccc1O ZINC000436928662 563686030 /nfs/dbraw/zinc/68/60/30/563686030.db2.gz WOQSHPJDYQKOCT-UHFFFAOYSA-N 1 0 398.345 2.644 20 0 GFADRO Brc1ccccc1-n1cc(CNC[C@H]2CC[N@@H+](C3CC3)C2)nn1 ZINC000289867677 563689666 /nfs/dbraw/zinc/68/96/66/563689666.db2.gz LODXPECGLIVSTF-CYBMUJFWSA-N 1 0 376.302 2.604 20 0 GFADRO CC[C@@H]([NH2+]CCc1nnc(C)s1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000289908565 563690884 /nfs/dbraw/zinc/69/08/84/563690884.db2.gz UGSCOPYLRKNHTG-CYBMUJFWSA-N 1 0 388.946 2.691 20 0 GFADRO CO[C@@H]1COC[C@H]1n1cc(C[NH2+][C@@H](C)Cc2c(Cl)cccc2Cl)nn1 ZINC000289906544 563690905 /nfs/dbraw/zinc/69/09/05/563690905.db2.gz UFXAIAAGCGLOJN-YMRXKLBXSA-N 1 0 385.295 2.892 20 0 GFADRO C[C@H](C(=O)Nc1ccc(Br)cc1)N1CCC(c2nnc[nH]2)CC1 ZINC000360659521 563693633 /nfs/dbraw/zinc/69/36/33/563693633.db2.gz ZJBJJRQXXOLZLF-LLVKDONJSA-N 1 0 378.274 2.774 20 0 GFADRO COCC(COC)[NH+]1CCN(c2ccc3cccc(Br)c3n2)CC1 ZINC000413470898 563694199 /nfs/dbraw/zinc/69/41/99/563694199.db2.gz DLTSKBPNWMJQOM-UHFFFAOYSA-N 1 0 394.313 2.781 20 0 GFADRO COC(=O)[C@@H]1CN(c2ccnc3ccc(Br)cc32)CC[N@H+](C)C1 ZINC000413495684 563694937 /nfs/dbraw/zinc/69/49/37/563694937.db2.gz JDTIMYLDNRAVTK-LBPRGKRZSA-N 1 0 378.270 2.538 20 0 GFADRO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]C[C@@H]1CN2CCC[C@H]2CO1 ZINC000360890181 563694978 /nfs/dbraw/zinc/69/49/78/563694978.db2.gz XTXNEHNNCQLOMZ-XOKHGSTOSA-N 1 0 396.329 2.619 20 0 GFADRO O=C1C[C@H]([C@H]2CCCC[N@H+]2Cc2cnc3ccc(Br)cn23)CN1 ZINC000360810036 563695078 /nfs/dbraw/zinc/69/50/78/563695078.db2.gz NQRIBEDIHCWCML-SWLSCSKDSA-N 1 0 377.286 2.587 20 0 GFADRO O=C1CCCN1C[C@H](O)C[NH2+][C@@H](c1cc(Cl)ccc1Cl)[C@@H]1CCOC1 ZINC000360808734 563695198 /nfs/dbraw/zinc/69/51/98/563695198.db2.gz FVZMAMJPQQUWNT-RVZJWNSFSA-N 1 0 387.307 2.644 20 0 GFADRO COC(=O)[C@H]1CN(C(=O)N[C@@H]2CCCc3sc(Cl)cc32)CC[N@H+](C)C1 ZINC000413557582 563697405 /nfs/dbraw/zinc/69/74/05/563697405.db2.gz SBNBXXXRASXXHR-DGCLKSJQSA-N 1 0 385.917 2.525 20 0 GFADRO COCCC[NH+]1CCC(NC(=O)c2cc(Cl)ncc2Br)CC1 ZINC000290095373 563698288 /nfs/dbraw/zinc/69/82/88/563698288.db2.gz LAVYWEMGKRVADJ-UHFFFAOYSA-N 1 0 390.709 2.728 20 0 GFADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)N[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000437793114 563699580 /nfs/dbraw/zinc/69/95/80/563699580.db2.gz AXTUPGDYNWQEFW-HACGYAERSA-N 1 0 385.339 2.784 20 0 GFADRO CN(C)CC[N@H+](C)CCCNC(=O)c1cccc(Br)c1Cl ZINC000290186875 563700726 /nfs/dbraw/zinc/70/07/26/563700726.db2.gz RISMKHZGPYMFST-UHFFFAOYSA-N 1 0 376.726 2.716 20 0 GFADRO COc1cc(C(=O)N2CC[C@@H]3CC[N@H+](C)[C@H]3C2)cc(OC)c1Br ZINC000361907982 563702013 /nfs/dbraw/zinc/70/20/13/563702013.db2.gz MTIDFIZNIKPSQP-AAEUAGOBSA-N 1 0 383.286 2.633 20 0 GFADRO CS[C@@H]1CN(C(=O)[C@H](C)Oc2ccc(C(F)(F)F)cc2)C[C@@H]1[NH+](C)C ZINC000438130200 563702022 /nfs/dbraw/zinc/70/20/22/563702022.db2.gz LLWGEPHPUGXYDE-TUKIKUTGSA-N 1 0 376.444 2.977 20 0 GFADRO CC(C)(CC[NH+]1CCCCCC1)NC(=O)NCCC(C)(C)S(C)(=O)=O ZINC000413722050 563703058 /nfs/dbraw/zinc/70/30/58/563703058.db2.gz DXSVFZYMVBXEOR-UHFFFAOYSA-N 1 0 375.579 2.544 20 0 GFADRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1Cc1cc(Br)cc2c1OCC2 ZINC000438271459 563703100 /nfs/dbraw/zinc/70/31/00/563703100.db2.gz YLICELUHLVKTFZ-ZDUSSCGKSA-N 1 0 383.330 2.661 20 0 GFADRO C[C@H](C(=O)NCCC[N@H+](C)CCN(C)C)c1ccc(Br)s1 ZINC000290267046 563703112 /nfs/dbraw/zinc/70/31/12/563703112.db2.gz ZNEBHOJCVSGJRC-LBPRGKRZSA-N 1 0 376.364 2.614 20 0 GFADRO Cc1cc(Br)cn2c(CN3CC[N@H+](CC(C)(C)O)[C@H](C)C3)cnc12 ZINC000438330521 563703509 /nfs/dbraw/zinc/70/35/09/563703509.db2.gz ZCFXHNZQRIKXGC-CQSZACIVSA-N 1 0 395.345 2.682 20 0 GFADRO CCN(Cc1ccc(Cl)s1)C(=O)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000290316624 563704691 /nfs/dbraw/zinc/70/46/91/563704691.db2.gz YZJUIBSYAZSABK-UHFFFAOYSA-N 1 0 383.945 2.741 20 0 GFADRO O=C(CCNc1ncc(C(F)(F)F)cc1Cl)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000290357058 563706185 /nfs/dbraw/zinc/70/61/85/563706185.db2.gz JGURDOBPCRFZDR-GHMZBOCLSA-N 1 0 376.810 2.624 20 0 GFADRO CO[C@H](C(=O)Nc1cc(Br)ccc1N1CC[N@H+](C)C[C@H]1C)C1CC1 ZINC000413843441 563707462 /nfs/dbraw/zinc/70/74/62/563707462.db2.gz JKUANAFYZLLWPK-PXAZEXFGSA-N 1 0 396.329 2.953 20 0 GFADRO C[C@@H](C[C@@H](O)c1ccco1)[NH2+]C1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000362690749 563708841 /nfs/dbraw/zinc/70/88/41/563708841.db2.gz VTWNWCBIOVSKNV-DZGCQCFKSA-N 1 0 384.523 2.596 20 0 GFADRO C[C@@H]([NH2+]C[C@](O)(c1nccn1C)C(F)(F)F)c1ccc(Br)nc1 ZINC000290569210 563714410 /nfs/dbraw/zinc/71/44/10/563714410.db2.gz FBUNRVSXBFGYEF-RNCFNFMXSA-N 1 0 393.207 2.678 20 0 GFADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1cc2cc(Br)ccc2[nH]1 ZINC000363176521 563716616 /nfs/dbraw/zinc/71/66/16/563716616.db2.gz JYIXVICIXVAMKI-KGLIPLIRSA-N 1 0 378.270 2.523 20 0 GFADRO C[C@H](NC(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccc(Br)cc1 ZINC000363390747 563721135 /nfs/dbraw/zinc/72/11/35/563721135.db2.gz VXDFGAMXRXXDSO-VBNZEHGJSA-N 1 0 382.302 2.673 20 0 GFADRO COc1ccc(C[C@H](CO)C[NH2+][C@H](C)c2ccn(C)n2)cc1Br ZINC000414154374 563721317 /nfs/dbraw/zinc/72/13/17/563721317.db2.gz TVMNJVKXAHQKTI-OCCSQVGLSA-N 1 0 382.302 2.693 20 0 GFADRO CNS(=O)(=O)CCC[NH+]1CCC(c2ccccc2Br)CC1 ZINC000439258443 563721450 /nfs/dbraw/zinc/72/14/50/563721450.db2.gz IGROSKKAXAQBMD-UHFFFAOYSA-N 1 0 375.332 2.568 20 0 GFADRO Cc1ccc(Br)c(S(=O)(=O)NCC[NH2+][C@H](C)[C@H]2C[C@H]2C)c1 ZINC000414169602 563722051 /nfs/dbraw/zinc/72/20/51/563722051.db2.gz VPBGXLZMRDDZKJ-UPJWGTAASA-N 1 0 375.332 2.670 20 0 GFADRO CC1(C)CC[C@@H]([NH2+]C[C@H](O)Cn2ccnn2)c2cc(Br)ccc21 ZINC000414200042 563722525 /nfs/dbraw/zinc/72/25/25/563722525.db2.gz XFKBXDOWNAIKBQ-XJKSGUPXSA-N 1 0 379.302 2.804 20 0 GFADRO CC(C)C[C@@H](CO)[N@H+](C)C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000439427777 563723725 /nfs/dbraw/zinc/72/37/25/563723725.db2.gz BECRNSBKLTWHJY-LSDHHAIUSA-N 1 0 378.282 2.667 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+]CCCN2CCc3ccccc32)cc1Cl ZINC000414260629 563723832 /nfs/dbraw/zinc/72/38/32/563723832.db2.gz HLVUAIVMJMSBIB-UHFFFAOYSA-N 1 0 379.913 2.530 20 0 GFADRO CN(C)c1ncc(C[NH2+]C[C@@H]2CCN(c3ccc(Br)cc3)C2)n1C ZINC000414303980 563725117 /nfs/dbraw/zinc/72/51/17/563725117.db2.gz CLXLNZJYAYLHDD-AWEZNQCLSA-N 1 0 392.345 2.865 20 0 GFADRO C[N@H+](CCCn1ccnc1)C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000439448897 563725350 /nfs/dbraw/zinc/72/53/50/563725350.db2.gz FUHAYLFBTWAVCN-HNNXBMFYSA-N 1 0 386.265 2.547 20 0 GFADRO CC(C)(C)[C@@H](CCO)[NH2+]C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000439447807 563725420 /nfs/dbraw/zinc/72/54/20/563725420.db2.gz YIJCZTRLIUBTNO-DZGCQCFKSA-N 1 0 378.282 2.715 20 0 GFADRO COc1ccc([C@H](C)[NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)cc1 ZINC000414309581 563726031 /nfs/dbraw/zinc/72/60/31/563726031.db2.gz YCCVDEJWVSGABS-NSHDSACASA-N 1 0 399.310 2.956 20 0 GFADRO NC(=O)[C@@H](c1ccc(Br)cc1F)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000363562610 563726174 /nfs/dbraw/zinc/72/61/74/563726174.db2.gz NCXZHBZDNKBLPH-CZUORRHYSA-N 1 0 384.293 2.675 20 0 GFADRO C[C@H]([NH2+][C@@H]1C[C@H]1c1ccco1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000414341678 563727675 /nfs/dbraw/zinc/72/76/75/563727675.db2.gz IEGNDIKRQBNAAX-UFGOTCBOSA-N 1 0 385.283 2.896 20 0 GFADRO Cc1cc([C@@H](C)[NH2+]CCCCn2cc(C(N)=O)nn2)sc1Br ZINC000414350549 563728308 /nfs/dbraw/zinc/72/83/08/563728308.db2.gz LQTZQNDYNBXMPY-SNVBAGLBSA-N 1 0 386.319 2.640 20 0 GFADRO Cc1cc(N2CC[C@@H]([NH2+]Cc3cc(F)cc(Br)c3)C2=O)n(C)n1 ZINC000439565989 563729155 /nfs/dbraw/zinc/72/91/55/563729155.db2.gz SQGREOOXEKIYQE-CQSZACIVSA-N 1 0 381.249 2.525 20 0 GFADRO C[C@H]1C[C@H](NC(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)c2ccsc2S1(=O)=O ZINC000291000214 563729430 /nfs/dbraw/zinc/72/94/30/563729430.db2.gz LEESNCOOPOTKHH-ABHRYQDASA-N 1 0 385.555 2.527 20 0 GFADRO CN1CC[C@@H]([NH2+]Cc2ccc(S(C)(=O)=O)s2)[C@@H]1c1ccc(F)c(F)c1 ZINC000414369155 563730136 /nfs/dbraw/zinc/73/01/36/563730136.db2.gz TYOVQHLCASJRNX-WBVHZDCISA-N 1 0 386.489 2.965 20 0 GFADRO CCN(CCC[NH+](CC)CC)C(=O)c1nc2ccc(Br)cn2n1 ZINC000414394000 563733077 /nfs/dbraw/zinc/73/30/77/563733077.db2.gz AWCBBDBXTBDFPS-UHFFFAOYSA-N 1 0 382.306 2.686 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+][C@@H]2CCCN(c3ccccc3)C2)cc1Cl ZINC000414390891 563733079 /nfs/dbraw/zinc/73/30/79/563733079.db2.gz JVPJHCJGAKXNKG-OAHLLOKOSA-N 1 0 379.913 2.746 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CNC(=O)C[C@@H]1CCC[NH2+]CC1 ZINC000363771698 563733159 /nfs/dbraw/zinc/73/31/59/563733159.db2.gz HHXKWAMAEZTKGG-CYBMUJFWSA-N 1 0 382.302 2.592 20 0 GFADRO C[NH+](C)C/C=C/C(=O)N[C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000363972766 563738645 /nfs/dbraw/zinc/73/86/45/563738645.db2.gz XFYUWRQUBUUZFQ-AAOUONPWSA-N 1 0 376.810 2.567 20 0 GFADRO O=C(c1[nH]nc2c1C[NH2+]CC2)N1CCC[C@@H]1c1ccc(Br)cc1 ZINC000364004185 563740170 /nfs/dbraw/zinc/74/01/70/563740170.db2.gz SHBKKCWSLZBHNK-OAHLLOKOSA-N 1 0 375.270 2.795 20 0 GFADRO C[NH+](C)CCN(C1CC1)S(=O)(=O)c1ccc(Br)c(Cl)c1 ZINC000414464173 563740515 /nfs/dbraw/zinc/74/05/15/563740515.db2.gz PAUXMSQAAUWFHQ-UHFFFAOYSA-N 1 0 381.723 2.817 20 0 GFADRO C[NH+](C)C1(CNS(=O)(=O)c2c(Cl)ccc3ccccc32)CCOCC1 ZINC000440396673 563740849 /nfs/dbraw/zinc/74/08/49/563740849.db2.gz HLZHLPMSBAHCCG-UHFFFAOYSA-N 1 0 382.913 2.882 20 0 GFADRO O=C(CN1CCC[C@@H]1C[N@H+]1CCC[C@@H]1CO)Nc1ccc(Cl)cc1Cl ZINC000364052058 563741630 /nfs/dbraw/zinc/74/16/30/563741630.db2.gz CYSYUFZUEYRROS-HUUCEWRRSA-N 1 0 386.323 2.853 20 0 GFADRO CSc1cccc(S(=O)(=O)N2CC[C@H](OCC[NH+]3CCCCC3)C2)c1 ZINC000414467972 563742418 /nfs/dbraw/zinc/74/24/18/563742418.db2.gz XBOCAJFAPQBWAB-INIZCTEOSA-N 1 0 384.567 2.674 20 0 GFADRO CNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(C)(c2ccc(Br)cc2)CC1 ZINC000440492205 563742985 /nfs/dbraw/zinc/74/29/85/563742985.db2.gz SWQLJKFCQRUTDU-GFCCVEGCSA-N 1 0 382.302 2.647 20 0 GFADRO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+][C@H]2CCC[C@H](S(C)(=O)=O)C2)c1 ZINC000414497614 563744046 /nfs/dbraw/zinc/74/40/46/563744046.db2.gz UHSYIQQZXBZSOP-GJZGRUSLSA-N 1 0 393.958 2.579 20 0 GFADRO CC(C)(O)C[N@@H+]1CCCN(C(=O)/C=C/c2csc(Br)c2)CC1 ZINC000364158832 563745090 /nfs/dbraw/zinc/74/50/90/563745090.db2.gz FONWVHOFQOBBCK-SNAWJCMRSA-N 1 0 387.343 2.829 20 0 GFADRO CCn1cc(Br)cc1C(=O)N1C[C@@H](c2ccc(F)cc2)[C@H]([NH3+])C1 ZINC000364163381 563745618 /nfs/dbraw/zinc/74/56/18/563745618.db2.gz XPWJXNCLIIOQOP-LSDHHAIUSA-N 1 0 380.261 2.977 20 0 GFADRO O[C@H](C[NH2+]Cc1cc(C(F)(F)F)n[nH]1)COc1ccccc1Br ZINC000440631698 563746094 /nfs/dbraw/zinc/74/60/94/563746094.db2.gz ZKCJYQRVROVMHB-SNVBAGLBSA-N 1 0 394.191 2.721 20 0 GFADRO NC(=O)c1cn(CCCC[NH2+]Cc2ccc(Cl)c(C(F)(F)F)c2)nn1 ZINC000414589008 563747787 /nfs/dbraw/zinc/74/77/87/563747787.db2.gz OSYKUNYVRZNOAN-UHFFFAOYSA-N 1 0 375.782 2.619 20 0 GFADRO Cc1ccc(C(=O)N2CC[C@@]3(CCC[C@@H]3[NH3+])C2)cc1I ZINC000364268321 563748421 /nfs/dbraw/zinc/74/84/21/563748421.db2.gz QCIVCKJYPGTOSR-HOCLYGCPSA-N 1 0 384.261 2.943 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCCN(S(=O)(=O)c2cc(Cl)ccc2Br)C1 ZINC000440738335 563748942 /nfs/dbraw/zinc/74/89/42/563748942.db2.gz USBJYHNZFQFOOQ-UWVGGRQHSA-N 1 0 381.723 2.850 20 0 GFADRO C[C@H](NS(=O)(=O)c1cccc(Cl)c1Br)[C@@H]1CCC[NH2+]C1 ZINC000440740446 563749004 /nfs/dbraw/zinc/74/90/04/563749004.db2.gz ZLWOGWQXSWONKR-VHSXEESVSA-N 1 0 381.723 2.769 20 0 GFADRO C[C@@H]([NH3+])c1ccc(NC(=O)C(=O)NCCc2ccc(Br)s2)cc1 ZINC000414676903 563749961 /nfs/dbraw/zinc/74/99/61/563749961.db2.gz ICLZXNDHSJCEPZ-SNVBAGLBSA-N 1 0 396.310 2.828 20 0 GFADRO O=C(Nc1cc(C(F)(F)F)ccc1Cl)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000414678175 563749982 /nfs/dbraw/zinc/74/99/82/563749982.db2.gz VOYDHHFXHGFUDA-LBPRGKRZSA-N 1 0 376.810 2.870 20 0 GFADRO O=C1[C@H]([NH2+][C@@H]2CCc3c2cccc3Br)CCN1C1CCOCC1 ZINC000364346974 563750628 /nfs/dbraw/zinc/75/06/28/563750628.db2.gz PBCRMROJXJWJNN-IAGOWNOFSA-N 1 0 379.298 2.806 20 0 GFADRO O=S(=O)(c1cc(C(F)(F)F)ccc1F)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000440824576 563751074 /nfs/dbraw/zinc/75/10/74/563751074.db2.gz HNRZGKXXHZCWGV-CQSZACIVSA-N 1 0 380.407 2.997 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H]2CN(S(=O)(=O)c3cc(Cl)ccc3Br)C[C@@H]21 ZINC000440841180 563751809 /nfs/dbraw/zinc/75/18/09/563751809.db2.gz HHNYVNUDAAAXPJ-SUZMYJTESA-N 1 0 393.734 2.850 20 0 GFADRO [NH3+][C@@H]1CCC[C@H]2CN(S(=O)(=O)c3cc(Cl)ccc3Br)C[C@@H]21 ZINC000440841184 563751852 /nfs/dbraw/zinc/75/18/52/563751852.db2.gz HHNYVNUDAAAXPJ-XHVZSJERSA-N 1 0 393.734 2.850 20 0 GFADRO C[C@]1(CNS(=O)(=O)c2cc(Cl)ccc2Br)CCC[NH2+]C1 ZINC000440836507 563751895 /nfs/dbraw/zinc/75/18/95/563751895.db2.gz GUKQWCRYIXDRTD-ZDUSSCGKSA-N 1 0 381.723 2.771 20 0 GFADRO COc1cc(S(=O)(=O)NC2CC[NH+](Cc3cccs3)CC2)ccc1F ZINC000364391263 563752345 /nfs/dbraw/zinc/75/23/45/563752345.db2.gz ZHZQIBXYDGSKIO-UHFFFAOYSA-N 1 0 384.498 2.839 20 0 GFADRO COc1ccc([C@H]2CC[NH2+]C[C@H]2NS(=O)(=O)c2cccc(Cl)c2)cc1 ZINC000440865298 563752288 /nfs/dbraw/zinc/75/22/88/563752288.db2.gz ORQHMDGYLRQPNZ-QZTJIDSGSA-N 1 0 380.897 2.773 20 0 GFADRO Cc1cc(Br)cc(S(=O)(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)c1 ZINC000440853193 563752479 /nfs/dbraw/zinc/75/24/79/563752479.db2.gz BKXKOGYUUMFSNT-MRXNPFEDSA-N 1 0 387.343 2.910 20 0 GFADRO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NS(=O)(=O)c2ccccc2Cl)cc1 ZINC000440861235 563752551 /nfs/dbraw/zinc/75/25/51/563752551.db2.gz HDLVKPMZXDNIBT-RDJZCZTQSA-N 1 0 380.897 2.773 20 0 GFADRO O=C(Nc1cc(Br)ccc1Br)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000414781654 563752999 /nfs/dbraw/zinc/75/29/99/563752999.db2.gz NQMAPXOPSKNOJV-VROVMSAKSA-N 1 0 375.064 2.551 20 0 GFADRO Cc1c2cc(Cl)ccc2sc1CNC(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000441009295 563753610 /nfs/dbraw/zinc/75/36/10/563753610.db2.gz KKYASCRRKJWWLE-AWEZNQCLSA-N 1 0 380.945 2.908 20 0 GFADRO CCOC(=O)COc1c(Br)cc(C)cc1CNC[C@H]1CCC[NH2+]1 ZINC000414849986 563753878 /nfs/dbraw/zinc/75/38/78/563753878.db2.gz RVBOIQDXJFGYPV-CQSZACIVSA-N 1 0 385.302 2.541 20 0 GFADRO COc1cc(Br)c(NC(=O)N2CC[C@@]3(CC[NH2+]C3)C2)cc1OC ZINC000414984761 563756097 /nfs/dbraw/zinc/75/60/97/563756097.db2.gz AOZJHLHRYPYRRY-MRXNPFEDSA-N 1 0 384.274 2.684 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)C[N@H+](C)CCC1CC1 ZINC000441252729 563757400 /nfs/dbraw/zinc/75/74/00/563757400.db2.gz BOJDGAFPTQGJBB-UHFFFAOYSA-N 1 0 396.329 2.886 20 0 GFADRO Cc1cc(NC(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)ccc1Br ZINC000441257776 563757435 /nfs/dbraw/zinc/75/74/35/563757435.db2.gz IWMGTSPFNCXMMC-UHFFFAOYSA-N 1 0 383.334 2.905 20 0 GFADRO O=C(c1nc(C2CC2)ncc1Br)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000291793604 563758976 /nfs/dbraw/zinc/75/89/76/563758976.db2.gz PZDJYWHSACKAOC-ZDUSSCGKSA-N 1 0 379.302 2.817 20 0 GFADRO C[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccc(Cl)cn2)[C@@H]1c1cccs1 ZINC000364612482 563759335 /nfs/dbraw/zinc/75/93/35/563759335.db2.gz BKKFLNUYFMIKML-IAQYHMDHSA-N 1 0 378.885 2.544 20 0 GFADRO [NH3+]C1CCC(NC(=O)Nc2cc(F)c(I)c(F)c2)CC1 ZINC000415123451 563759655 /nfs/dbraw/zinc/75/96/55/563759655.db2.gz PTFBUWGZBDOKHY-UHFFFAOYSA-N 1 0 395.191 2.961 20 0 GFADRO CCOc1ccc(Br)cc1NC(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000415129561 563760295 /nfs/dbraw/zinc/76/02/95/563760295.db2.gz VABGPJYXKBYBSK-LBPRGKRZSA-N 1 0 378.217 2.967 20 0 GFADRO C[NH2+]C[C@H]1CCN(C(=O)Nc2cc(F)c(I)c(F)c2)C1 ZINC000415127164 563760314 /nfs/dbraw/zinc/76/03/14/563760314.db2.gz VISIKHAGFBGBCD-MRVPVSSYSA-N 1 0 395.191 2.643 20 0 GFADRO [NH3+]Cc1cn([C@@H]2CCCN(Cc3ccc(Cl)c(Br)c3)C2)nn1 ZINC000415123943 563760317 /nfs/dbraw/zinc/76/03/17/563760317.db2.gz JXXPTHCOURZJHQ-CYBMUJFWSA-N 1 0 384.709 2.990 20 0 GFADRO [NH3+]CC[C@H](NC(=O)Nc1cc(Br)ccc1-n1cccn1)C(F)F ZINC000415159619 563761107 /nfs/dbraw/zinc/76/11/07/563761107.db2.gz KAEXPOMOWDDDRB-JTQLQIEISA-N 1 0 388.216 2.739 20 0 GFADRO O=C(NC[C@@H]1CCC[NH2+]C1)Nc1cc(Br)ccc1-n1cccn1 ZINC000415151276 563761301 /nfs/dbraw/zinc/76/13/01/563761301.db2.gz AFGLBBPFVRYXET-GFCCVEGCSA-N 1 0 378.274 2.756 20 0 GFADRO C[NH2+]C[C@H](C)CNC(=O)Nc1ccc(CCn2cc(Br)cn2)cc1 ZINC000415207739 563762589 /nfs/dbraw/zinc/76/25/89/563762589.db2.gz GEDNONDQOCVLGH-ZDUSSCGKSA-N 1 0 394.317 2.865 20 0 GFADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2nc(C3CC3)ncc2Br)C1 ZINC000291878002 563762698 /nfs/dbraw/zinc/76/26/98/563762698.db2.gz XFTSPJYTQRVJDD-LBPRGKRZSA-N 1 0 381.318 2.920 20 0 GFADRO CN(C[C@@H](O)C[NH3+])C(=O)Nc1cc(C(F)(F)F)ccc1SCC(F)F ZINC000415217583 563762924 /nfs/dbraw/zinc/76/29/24/563762924.db2.gz VRLJVRQNBPPNJD-VIFPVBQESA-N 1 0 387.374 2.846 20 0 GFADRO C[C@@H](C[NH3+])CNC(=O)Cc1ccc(NC(=O)c2ccc(Br)o2)cc1 ZINC000441621729 563762917 /nfs/dbraw/zinc/76/29/17/563762917.db2.gz CEFLLTHRYXXCKR-NSHDSACASA-N 1 0 394.269 2.548 20 0 GFADRO O=C(Nc1ccc(F)cc1I)N[C@H]1C[NH2+]CCC1(F)F ZINC000415253611 563764259 /nfs/dbraw/zinc/76/42/59/563764259.db2.gz QJHLPLFDHLVJDR-JTQLQIEISA-N 1 0 399.154 2.549 20 0 GFADRO [NH3+]CC[C@@H](NC(=O)Nc1ccc(F)cc1I)C(F)F ZINC000415251417 563764300 /nfs/dbraw/zinc/76/43/00/563764300.db2.gz NCRLTLNBAMWWMC-SECBINFHSA-N 1 0 387.143 2.534 20 0 GFADRO C[NH2+]CCNC(=O)Nc1ccc(Br)cc1-c1nc(C2CC2)no1 ZINC000415278405 563765390 /nfs/dbraw/zinc/76/53/90/563765390.db2.gz XMKGNFQANAIMMF-UHFFFAOYSA-N 1 0 380.246 2.717 20 0 GFADRO C[C@H]([NH3+])CCNC(=O)Nc1cccc(Oc2ncc(Br)cn2)c1 ZINC000415295329 563765918 /nfs/dbraw/zinc/76/59/18/563765918.db2.gz AELFCFSIRHQZPV-JTQLQIEISA-N 1 0 380.246 2.890 20 0 GFADRO C[NH2+]CCCNC(=O)C(=O)Nc1ccc(Sc2nc(C)cs2)cc1C ZINC000415305826 563766024 /nfs/dbraw/zinc/76/60/24/563766024.db2.gz JYJCHARRNHHETQ-UHFFFAOYSA-N 1 0 378.523 2.575 20 0 GFADRO C[C@H](C[NH3+])CNC(=O)Nc1cccc(Oc2ncc(Br)cn2)c1 ZINC000415300486 563766060 /nfs/dbraw/zinc/76/60/60/563766060.db2.gz KDIKZPVWLLXOEF-SNVBAGLBSA-N 1 0 380.246 2.748 20 0 GFADRO O=C(NCCNc1cccc(Br)c1)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000364846521 563766097 /nfs/dbraw/zinc/76/60/97/563766097.db2.gz IIDHJULMDLEKNR-HZPDHXFCSA-N 1 0 381.318 2.787 20 0 GFADRO Cc1cnc(Br)c(NC(=O)N2CC[NH+](CC3CCOCC3)CC2)c1 ZINC000291999272 563768165 /nfs/dbraw/zinc/76/81/65/563768165.db2.gz HMOKKCWXUKABNC-UHFFFAOYSA-N 1 0 397.317 2.729 20 0 GFADRO COC(=O)c1cc(Br)ccc1NC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000415335621 563768158 /nfs/dbraw/zinc/76/81/58/563768158.db2.gz RJAREECNDKLPOY-FUNVUKJBSA-N 1 0 396.285 2.982 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000442161982 563768612 /nfs/dbraw/zinc/76/86/12/563768612.db2.gz SVMGPFYSVOPZTJ-JSGCOSHPSA-N 1 0 382.302 2.603 20 0 GFADRO CCOC(=O)c1cc(Br)ccc1NC(=O)N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000415346613 563768826 /nfs/dbraw/zinc/76/88/26/563768826.db2.gz HPZTZJYSXDIYHK-CMPLNLGQSA-N 1 0 384.274 2.888 20 0 GFADRO C[C@@H](NC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1Cl)[C@@H]1CCC[NH2+]C1 ZINC000415348076 563768841 /nfs/dbraw/zinc/76/88/41/563768841.db2.gz KCQRUYHUDPWCGE-NXEZZACHSA-N 1 0 377.794 2.802 20 0 GFADRO CCOC(=O)c1c(NC(=O)N[C@@H]2CC[NH2+]C2(C)C)sc2c1CCSC2 ZINC000415345158 563768950 /nfs/dbraw/zinc/76/89/50/563768950.db2.gz XYKPNWDAASOSLX-GFCCVEGCSA-N 1 0 383.539 2.976 20 0 GFADRO Cc1cnc(Br)c(NC(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)c1 ZINC000292007598 563769265 /nfs/dbraw/zinc/76/92/65/563769265.db2.gz IIHGMVDXYYYBBD-GJZGRUSLSA-N 1 0 397.317 2.652 20 0 GFADRO C[C@@H](CO)[N@@H+]1CCCN(C(=O)c2cccc(Br)c2Cl)CC1 ZINC000364938316 563769657 /nfs/dbraw/zinc/76/96/57/563769657.db2.gz UTDWUMGSWTXKGE-NSHDSACASA-N 1 0 375.694 2.631 20 0 GFADRO [NH3+]CC[C@H](NC(=O)Nc1cccc(F)c1I)C(F)F ZINC000415355803 563770003 /nfs/dbraw/zinc/77/00/03/563770003.db2.gz GSPVRTRBOMIYIU-QMMMGPOBSA-N 1 0 387.143 2.534 20 0 GFADRO CCOC(=O)c1cc(Br)ccc1NC(=O)N1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000415354985 563770009 /nfs/dbraw/zinc/77/00/09/563770009.db2.gz SSBRBHWLRSIFFB-GWCFXTLKSA-N 1 0 384.274 2.827 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)c(NC(=O)NC[C@@H](C)C[NH3+])c1C ZINC000415364133 563770674 /nfs/dbraw/zinc/77/06/74/563770674.db2.gz SVWQISGBAQDZQE-JTQLQIEISA-N 1 0 380.290 2.968 20 0 GFADRO CCCN(C(=O)C(=O)Nc1cc(Cl)c(OCC)c(Cl)c1)[C@H]1CC[NH2+]C1 ZINC000415382776 563771878 /nfs/dbraw/zinc/77/18/78/563771878.db2.gz AXKVWAHWGDZLPA-LBPRGKRZSA-N 1 0 388.295 2.931 20 0 GFADRO COC(=O)c1cc(NC(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)ccc1Br ZINC000415407169 563773237 /nfs/dbraw/zinc/77/32/37/563773237.db2.gz PLIHKJOVBBGJTH-PWSUYJOCSA-N 1 0 382.258 2.594 20 0 GFADRO O=C(NCC[C@@H]1CCC[NH2+]C1)C(=O)Nc1ccc(Cl)c(Br)c1 ZINC000415410794 563773720 /nfs/dbraw/zinc/77/37/20/563773720.db2.gz KTRJXVBORCHTLV-JTQLQIEISA-N 1 0 388.693 2.547 20 0 GFADRO O=C(CC[C@@H]1CCC[NH2+]1)NC[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000292097077 563773896 /nfs/dbraw/zinc/77/38/96/563773896.db2.gz NYQPGENXCKVSDZ-HOCLYGCPSA-N 1 0 380.330 2.924 20 0 GFADRO Cc1c(Br)cccc1NC(=O)C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000415421273 563774396 /nfs/dbraw/zinc/77/43/96/563774396.db2.gz BWOXUFCEYXVITH-OAHLLOKOSA-N 1 0 382.302 2.720 20 0 GFADRO C[NH2+]C[C@@H]1CCN(C(=O)Nc2cc(Br)ccc2OCCOC)C1 ZINC000415420867 563774415 /nfs/dbraw/zinc/77/44/15/563774415.db2.gz BBRFTRPEOFCZRW-LBPRGKRZSA-N 1 0 386.290 2.548 20 0 GFADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)NCCCCn3cc(Br)cn3)CC[C@@H]21 ZINC000365113271 563774492 /nfs/dbraw/zinc/77/44/92/563774492.db2.gz VNZWDLHQMXNMKN-ZBFHGGJFSA-N 1 0 398.349 2.552 20 0 GFADRO C[C@@H]1CCN(C(=O)Nc2ccc(S(C)(=O)=O)c(C(F)F)c2)[C@H](C[NH3+])C1 ZINC000415425152 563774962 /nfs/dbraw/zinc/77/49/62/563774962.db2.gz BYOYAQPQOMGUPL-PWSUYJOCSA-N 1 0 375.441 2.619 20 0 GFADRO C[C@H]([NH2+][C@@H](CO)c1ccc(Br)cc1)C(=O)NCCc1cccs1 ZINC000292128757 563775080 /nfs/dbraw/zinc/77/50/80/563775080.db2.gz IMXIMJOUNMVCET-LRDDRELGSA-N 1 0 397.338 2.881 20 0 GFADRO CS(=O)(=O)c1ccc(NC(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)cc1C(F)F ZINC000415438720 563775582 /nfs/dbraw/zinc/77/55/82/563775582.db2.gz QAVQVLCTCBLKAI-MNOVXSKESA-N 1 0 375.441 2.667 20 0 GFADRO CCOCCOc1ccc(Br)cc1NC(=O)N1CCC[C@@H]([NH3+])C1 ZINC000415439947 563776142 /nfs/dbraw/zinc/77/61/42/563776142.db2.gz DUCUNUYDIPTWRX-CYBMUJFWSA-N 1 0 386.290 2.819 20 0 GFADRO C[C@@H]1CN(C(=O)C(=O)Nc2cccc(Cl)c2SCC(F)F)CC[C@H]1[NH3+] ZINC000415450588 563776194 /nfs/dbraw/zinc/77/61/94/563776194.db2.gz JVMLTMJLWKPVPF-MWLCHTKSSA-N 1 0 391.871 2.831 20 0 GFADRO Cc1ccc(-c2csc(NC(=O)C(=O)N3CCC[C@@H]([C@@H](C)[NH3+])C3)n2)s1 ZINC000415450667 563776488 /nfs/dbraw/zinc/77/64/88/563776488.db2.gz RXQLCJYKBCWXJF-VXGBXAGGSA-N 1 0 378.523 2.704 20 0 GFADRO COC(=O)c1cc(Br)c(F)cc1NC(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000415465766 563776984 /nfs/dbraw/zinc/77/69/84/563776984.db2.gz FTFJVSNMKQBFDJ-OAHLLOKOSA-N 1 0 388.237 2.577 20 0 GFADRO O=C([C@H]1C[NH+]2CCC1CC2)N1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000365218670 563777730 /nfs/dbraw/zinc/77/77/30/563777730.db2.gz HVFZNHJMNMEUOZ-DLBZAZTESA-N 1 0 379.298 2.691 20 0 GFADRO COC(=O)c1cc(Br)c(F)cc1NC(=O)N[C@H]1CCC[C@H]1C[NH3+] ZINC000415472657 563777745 /nfs/dbraw/zinc/77/77/45/563777745.db2.gz YELPSNBKNGEIPL-UFBFGSQYSA-N 1 0 388.237 2.624 20 0 GFADRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)Nc1ccc(Cl)cc1Br ZINC000415498180 563779490 /nfs/dbraw/zinc/77/94/90/563779490.db2.gz IOSFLQVXCBROOJ-LBPRGKRZSA-N 1 0 390.709 2.873 20 0 GFADRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)Nc1nnc(-c2cccc(Br)c2)s1 ZINC000415503748 563780249 /nfs/dbraw/zinc/78/02/49/563780249.db2.gz SBHCWXIALHTOGA-SKDRFNHKSA-N 1 0 396.314 3.087 20 0 GFADRO C[C@@H]1C[N@H+](CC(=O)N2CCc3sccc3[C@@H]2c2cccs2)C[C@H]1CO ZINC000365360155 563780822 /nfs/dbraw/zinc/78/08/22/563780822.db2.gz VZAWDWDRDKRLGN-BIENJYKASA-N 1 0 376.547 2.844 20 0 GFADRO Cc1csc(Sc2ccc(NC(=O)C(=O)NC[C@@H](C)C[NH3+])cc2Cl)n1 ZINC000415511911 563780882 /nfs/dbraw/zinc/78/08/82/563780882.db2.gz RHWAFFVGPOTMGB-VIFPVBQESA-N 1 0 398.941 2.906 20 0 GFADRO O=C(Nc1ccc(Br)cc1F)C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000415519606 563781296 /nfs/dbraw/zinc/78/12/96/563781296.db2.gz NVLGXUQARWWJFK-CQSZACIVSA-N 1 0 398.276 2.517 20 0 GFADRO [NH3+]C[C@@H](NC(=O)Nc1ccnn1Cc1ccc(Br)cc1)C1CC1 ZINC000415524973 563782004 /nfs/dbraw/zinc/78/20/04/563782004.db2.gz HNZQQBKRLKHLNU-CQSZACIVSA-N 1 0 378.274 2.553 20 0 GFADRO [NH3+]C[C@H]1CCN(C(=O)Nc2ccnn2Cc2ccccc2Br)C1 ZINC000415525049 563782011 /nfs/dbraw/zinc/78/20/11/563782011.db2.gz VBFONINOYOJBNG-GFCCVEGCSA-N 1 0 378.274 2.506 20 0 GFADRO O=S1(=O)CCCN1CC[NH2+][C@@H]1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000442876227 563782070 /nfs/dbraw/zinc/78/20/70/563782070.db2.gz PJLGKQWVPBDDCP-GDBMZVCRSA-N 1 0 376.444 2.967 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)Nc2ccnn2Cc2cccc(Br)c2)C1 ZINC000415526720 563782539 /nfs/dbraw/zinc/78/25/39/563782539.db2.gz KGXCCWBPDFZMOD-GXTWGEPZSA-N 1 0 392.301 2.895 20 0 GFADRO C[C@@H]1CN(C(=O)Nc2ccnn2Cc2ccc(Br)cc2)CC[C@H]1[NH3+] ZINC000415527498 563782559 /nfs/dbraw/zinc/78/25/59/563782559.db2.gz KVEIPCHUXUZXDQ-IUODEOHRSA-N 1 0 392.301 2.895 20 0 GFADRO C[C@H](CCC[NH3+])NC(=O)Nc1ccnn1Cc1ccc(Br)cc1 ZINC000415529262 563782641 /nfs/dbraw/zinc/78/26/41/563782641.db2.gz MYRVXBYJMNFVAY-GFCCVEGCSA-N 1 0 380.290 2.943 20 0 GFADRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)Nc1ccnn1Cc1cccc(Br)c1 ZINC000415527937 563782705 /nfs/dbraw/zinc/78/27/05/563782705.db2.gz OXWIWHBMPITLGF-IUODEOHRSA-N 1 0 392.301 2.813 20 0 GFADRO O=C(CNC(=O)c1ccc(Cl)c(Cl)c1)NC1CC([NH+]2CCCCC2)C1 ZINC000365437667 563782899 /nfs/dbraw/zinc/78/28/99/563782899.db2.gz OOIAMGRDXYCHTA-UHFFFAOYSA-N 1 0 384.307 2.856 20 0 GFADRO C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)Nc1cc(Br)c(F)cc1F ZINC000415548384 563783941 /nfs/dbraw/zinc/78/39/41/563783941.db2.gz ACWVSNOPHLCDDK-KRTXAFLBSA-N 1 0 378.217 2.962 20 0 GFADRO [NH3+]CC[C@@H](NC(=O)Nc1cc(Cl)ccc1OC[C@@H]1CCOC1)C(F)F ZINC000415538244 563784002 /nfs/dbraw/zinc/78/40/02/563784002.db2.gz IWDOBKAXUOYEBF-ZYHUDNBSSA-N 1 0 377.819 2.859 20 0 GFADRO CC1(CNC(=O)C(=O)Nc2cc(Cl)ccc2C(F)(F)F)CC[NH2+]CC1 ZINC000415563395 563784443 /nfs/dbraw/zinc/78/44/43/563784443.db2.gz BBMPZEFQQVKNCT-UHFFFAOYSA-N 1 0 377.794 2.803 20 0 GFADRO Cc1cc(NC(=O)C(=O)N2CCC3(C2)CC[NH2+]CC3)cc(C)c1Br ZINC000415556882 563784456 /nfs/dbraw/zinc/78/44/56/563784456.db2.gz RXTYOFJVDSRMAS-UHFFFAOYSA-N 1 0 394.313 2.607 20 0 GFADRO CO[C@H]1CCN(C(=O)Nc2cc(Br)c(F)cc2F)[C@@H](C[NH3+])C1 ZINC000415554550 563784489 /nfs/dbraw/zinc/78/44/89/563784489.db2.gz HFCXYGODEGNRJB-BDAKNGLRSA-N 1 0 378.217 2.697 20 0 GFADRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)Nc1cccc(Cl)c1SCC(F)F ZINC000415577227 563784942 /nfs/dbraw/zinc/78/49/42/563784942.db2.gz YWLRSYONWSBZJQ-VHSXEESVSA-N 1 0 391.871 2.845 20 0 GFADRO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(-c3ccc(Cl)s3)nc2)[C@H](C)C[NH2+]1 ZINC000415573118 563785058 /nfs/dbraw/zinc/78/50/58/563785058.db2.gz VIJSSMGGYSQXMG-GHMZBOCLSA-N 1 0 378.885 2.611 20 0 GFADRO Cc1cc(C(=O)N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)nn1-c1ccc(Br)cc1 ZINC000365505437 563785234 /nfs/dbraw/zinc/78/52/34/563785234.db2.gz FIYPQMMFYBGLGQ-OKILXGFUSA-N 1 0 389.297 2.577 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000415583444 563785699 /nfs/dbraw/zinc/78/56/99/563785699.db2.gz QYTXPQKQIHHKKX-QEJZJMRPSA-N 1 0 394.313 2.536 20 0 GFADRO CC(C)c1cc(Br)ccc1NC(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000415589289 563785738 /nfs/dbraw/zinc/78/57/38/563785738.db2.gz FMZYWHILCXOWIG-GOSISDBHSA-N 1 0 394.313 2.723 20 0 GFADRO COc1cc(NC(=O)NCCC[NH3+])c(Br)cc1Br ZINC000415586798 563785898 /nfs/dbraw/zinc/78/58/98/563785898.db2.gz NMHPMXNVRZAWPS-UHFFFAOYSA-N 1 0 381.068 2.691 20 0 GFADRO CCCC[C@H](C[NH3+])NC(=O)Nc1ccc(OC)cc1I ZINC000415595378 563786201 /nfs/dbraw/zinc/78/62/01/563786201.db2.gz KFJVGJIXSDAYKE-SNVBAGLBSA-N 1 0 391.253 2.939 20 0 GFADRO COc1ccc(NC(=O)N(C)C2CC[NH2+]CC2)c(I)c1 ZINC000415600511 563786742 /nfs/dbraw/zinc/78/67/42/563786742.db2.gz SWMNSWRPAJWSAJ-UHFFFAOYSA-N 1 0 389.237 2.516 20 0 GFADRO COC(=O)c1cc(NC(=O)N[C@@H]2CC[NH2+][C@@H](C)C2)cc(Br)c1F ZINC000415604612 563787419 /nfs/dbraw/zinc/78/74/19/563787419.db2.gz GEZDUDRMERIFGZ-DTWKUNHWSA-N 1 0 388.237 2.637 20 0 GFADRO COC(=O)Cn1cc(CC[N@@H+]2CC[C@@H](Sc3cccc(Cl)c3)C2)nn1 ZINC000292477569 563788529 /nfs/dbraw/zinc/78/85/29/563788529.db2.gz RWOZIPHQFFUKEV-MRXNPFEDSA-N 1 0 380.901 2.514 20 0 GFADRO COC(=O)c1cc(F)c(Br)cc1NC(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000415630796 563788811 /nfs/dbraw/zinc/78/88/11/563788811.db2.gz HQMIYZJLSRNOTL-RKDXNWHRSA-N 1 0 388.237 2.766 20 0 GFADRO [NH3+]CC[C@@H](NC(=O)Nc1nnc(-c2ccc(Cl)cc2F)s1)C(F)F ZINC000415635567 563789298 /nfs/dbraw/zinc/78/92/98/563789298.db2.gz VBVJQCTWFYVZPF-SECBINFHSA-N 1 0 379.795 3.102 20 0 GFADRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)Nc1ccc(Br)c2ccccc12 ZINC000415652393 563790184 /nfs/dbraw/zinc/79/01/84/563790184.db2.gz LHCWUESRYKIVME-ABAIWWIYSA-N 1 0 390.281 2.655 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)C(=O)Nc2cccc(Cl)c2SCC(F)F)CC[NH2+]1 ZINC000415665102 563790470 /nfs/dbraw/zinc/79/04/70/563790470.db2.gz DFNVLHDLHVYNPL-NXEZZACHSA-N 1 0 391.871 2.892 20 0 GFADRO O=C(c1c[nH]c(=O)c(Br)c1)N1CCC[C@@H](C[NH+]2CCCCC2)C1 ZINC000365664318 563790591 /nfs/dbraw/zinc/79/05/91/563790591.db2.gz YWDDHQMYNAUICF-ZDUSSCGKSA-N 1 0 382.302 2.888 20 0 GFADRO [NH3+]CC[C@H]1CCCN(C(=O)C(=O)Nc2cc(Cl)ccc2C(F)(F)F)C1 ZINC000415692462 563791197 /nfs/dbraw/zinc/79/11/97/563791197.db2.gz RNNSAMVVRSAFBY-SNVBAGLBSA-N 1 0 377.794 2.885 20 0 GFADRO COC(=O)c1cc(NC(=O)N(C)C2CC[NH2+]CC2)c(C)cc1Br ZINC000415710788 563792624 /nfs/dbraw/zinc/79/26/24/563792624.db2.gz RNWYDFNPRYFUAF-UHFFFAOYSA-N 1 0 384.274 2.760 20 0 GFADRO COC(=O)c1cc(NC(=O)N2CC[C@H]([C@H](C)[NH3+])C2)c(C)cc1Br ZINC000415713181 563792896 /nfs/dbraw/zinc/79/28/96/563792896.db2.gz WMGVNZTYQPTVNE-QWRGUYRKSA-N 1 0 384.274 2.745 20 0 GFADRO Cc1ccc(NC(=O)C(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)c(Br)c1 ZINC000415732239 563793266 /nfs/dbraw/zinc/79/32/66/563793266.db2.gz XYRNORUCCATFTO-JOCQHMNTSA-N 1 0 382.302 2.577 20 0 GFADRO Cc1cc(I)cc(NC(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)c1 ZINC000415717299 563793302 /nfs/dbraw/zinc/79/33/02/563793302.db2.gz YAMXWNMJQDXBTI-FZMZJTMJSA-N 1 0 385.249 2.815 20 0 GFADRO Cc1cc(NC(=O)C(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)cc(C)c1Br ZINC000415746148 563793741 /nfs/dbraw/zinc/79/37/41/563793741.db2.gz SKXWNBMQTQFTQY-HDJSIYSDSA-N 1 0 396.329 2.886 20 0 GFADRO CO[C@@H]1CCN(C(=O)Nc2cccc(Cl)c2OCC(F)F)[C@@H](C[NH3+])C1 ZINC000415751742 563794221 /nfs/dbraw/zinc/79/42/21/563794221.db2.gz WKGBCPMLMQWLOJ-GHMZBOCLSA-N 1 0 377.819 2.954 20 0 GFADRO O=C(Nc1cc(Cl)ccc1I)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000415763036 563794921 /nfs/dbraw/zinc/79/49/21/563794921.db2.gz XBQLPXHPOQJIKC-PELKAZGASA-N 1 0 391.640 2.770 20 0 GFADRO CSc1ccc(Cl)cc1NC(=O)C(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000415768109 563795626 /nfs/dbraw/zinc/79/56/26/563795626.db2.gz VFCNPACCDDOTKA-ZDUSSCGKSA-N 1 0 381.929 2.849 20 0 GFADRO CCCC[C@H](C[NH3+])NC(=O)Nc1ccc(I)cc1OC ZINC000415772860 563795710 /nfs/dbraw/zinc/79/57/10/563795710.db2.gz LCLUNCPSOCEGOP-LLVKDONJSA-N 1 0 391.253 2.939 20 0 GFADRO COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000415767363 563795828 /nfs/dbraw/zinc/79/58/28/563795828.db2.gz MTCGADRGUCBZOF-UHFFFAOYSA-N 1 0 386.279 2.543 20 0 GFADRO C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccc(Cl)s2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000365948812 563795869 /nfs/dbraw/zinc/79/58/69/563795869.db2.gz HQPFHTGVAQRUMN-FPCVCCKLSA-N 1 0 381.973 2.989 20 0 GFADRO O=C(Nc1cc(C(F)(F)F)ccc1Cl)C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000415776478 563796417 /nfs/dbraw/zinc/79/64/17/563796417.db2.gz HUSFHGJOPXYBQK-CABZTGNLSA-N 1 0 375.778 2.508 20 0 GFADRO O=C(Nc1cc(Cl)cc(C(F)(F)F)c1)C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000415797733 563796886 /nfs/dbraw/zinc/79/68/86/563796886.db2.gz WNFSGWYWMVBYRC-NOZJJQNGSA-N 1 0 375.778 2.508 20 0 GFADRO O=C(NCCC[C@H]1CCC[NH2+]1)C(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000415810945 563797518 /nfs/dbraw/zinc/79/75/18/563797518.db2.gz YDNMOUGSBPWQNB-SNVBAGLBSA-N 1 0 375.803 2.528 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)cc1Br ZINC000415815524 563798282 /nfs/dbraw/zinc/79/82/82/563798282.db2.gz SHZHVEZSVNDDCE-QWHCGFSZSA-N 1 0 382.302 2.638 20 0 GFADRO C[NH2+]Cc1ccccc1NC(=O)NCCCCn1cc(Br)cn1 ZINC000415918612 563800139 /nfs/dbraw/zinc/80/01/39/563800139.db2.gz FWIHXSSPSMFAQX-UHFFFAOYSA-N 1 0 380.290 2.967 20 0 GFADRO Cc1csc(Sc2ccc(NC(=O)C(=O)N(C)CC[NH3+])cc2Cl)n1 ZINC000415879767 563800408 /nfs/dbraw/zinc/80/04/08/563800408.db2.gz PYOVZOJBJIVWJW-UHFFFAOYSA-N 1 0 384.914 2.612 20 0 GFADRO [NH3+]CC[C@H](NC(=O)NCCc1cc(Br)ccc1F)C(F)(F)F ZINC000415989624 563801001 /nfs/dbraw/zinc/80/10/01/563801001.db2.gz AYLQWZVIQGXPIC-NSHDSACASA-N 1 0 386.187 2.710 20 0 GFADRO [NH3+]Cc1ccc(NC(=O)NC[C@@H](CO)Cc2cccc(Br)c2)cc1 ZINC000415960340 563801126 /nfs/dbraw/zinc/80/11/26/563801126.db2.gz PYGRBOGKLXZMBW-HNNXBMFYSA-N 1 0 392.297 2.881 20 0 GFADRO [NH3+]CC[C@H](NC(=O)N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1)C(F)(F)F ZINC000416006116 563801616 /nfs/dbraw/zinc/80/16/16/563801616.db2.gz KRSROLXFEOCRBV-RNCFNFMXSA-N 1 0 382.789 2.637 20 0 GFADRO C[C@H](CNC(=O)N[C@H](CC[NH3+])C(F)(F)F)Oc1ccccc1Br ZINC000416002741 563801778 /nfs/dbraw/zinc/80/17/78/563801778.db2.gz FRZIKUCNGZFKTE-BXKDBHETSA-N 1 0 398.223 2.795 20 0 GFADRO C[C@@H](Cc1cccc(Br)c1)NC(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000415996994 563801826 /nfs/dbraw/zinc/80/18/26/563801826.db2.gz QOVSAMOPYWOKJN-CABZTGNLSA-N 1 0 382.224 2.959 20 0 GFADRO [NH3+]CC[C@@H](NC(=O)NCCCC(=O)Nc1ccc(Cl)cc1)C(F)(F)F ZINC000415998050 563802110 /nfs/dbraw/zinc/80/21/10/563802110.db2.gz SPLNUNOKSNCOMG-GFCCVEGCSA-N 1 0 380.798 2.638 20 0 GFADRO [NH3+]CC[C@@H](NC(=O)N[C@@H]1CCOc2c(Br)cccc21)C(F)(F)F ZINC000416038403 563803707 /nfs/dbraw/zinc/80/37/07/563803707.db2.gz DMMIWJRWALSULO-GHMZBOCLSA-N 1 0 396.207 2.852 20 0 GFADRO [NH3+]CC[C@@H](NC(=O)N[C@@H](c1cncc(Br)c1)C1CC1)C(F)(F)F ZINC000416038245 563803821 /nfs/dbraw/zinc/80/38/21/563803821.db2.gz DECGQRIVJXFYTP-VXGBXAGGSA-N 1 0 395.223 2.874 20 0 GFADRO Cn1cc(-c2ncc(C[NH2+]CCNc3ncc(Cl)cc3Cl)cn2)cn1 ZINC000366308515 563804850 /nfs/dbraw/zinc/80/48/50/563804850.db2.gz LOMGZJSRRBNJRK-UHFFFAOYSA-N 1 0 378.267 2.781 20 0 GFADRO Cc1cc(Br)cc(C)c1N1CCC[C@@H]([N@@H+]2C[C@H]3[C@H](CO)[C@H]3C2)C1=O ZINC000366398017 563807786 /nfs/dbraw/zinc/80/77/86/563807786.db2.gz INDSSVPCFWWJJC-LTIDMASMSA-N 1 0 393.325 2.731 20 0 GFADRO CS(=O)(=O)CC[C@H]1CCCCN1Cc1ccc(Cl)cc1-n1cncn1 ZINC000366438601 563808205 /nfs/dbraw/zinc/80/82/05/563808205.db2.gz LJCBMQPRNXOGOS-MRXNPFEDSA-N 1 0 382.917 2.710 20 0 GFADRO CC[C@H]([NH2+][C@H]1CCc2n[nH]cc2C1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000366486813 563810693 /nfs/dbraw/zinc/81/06/93/563810693.db2.gz YIBZGZVKMXKVCX-ZFWWWQNUSA-N 1 0 382.917 2.569 20 0 GFADRO CC[C@@H]([NH2+][C@H]1CCc2n[nH]cc2C1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000366486808 563810788 /nfs/dbraw/zinc/81/07/88/563810788.db2.gz YIBZGZVKMXKVCX-DZGCQCFKSA-N 1 0 382.917 2.569 20 0 GFADRO C[C@@H](NC(=O)N1CC[NH+](CC(C)(C)O)CC1)c1ccc(Br)s1 ZINC000443742543 563811074 /nfs/dbraw/zinc/81/10/74/563811074.db2.gz ZFXUDSAGXACTIG-LLVKDONJSA-N 1 0 390.347 2.670 20 0 GFADRO C[C@@H](CNS(=O)(=O)c1ccc(Br)c(Cl)c1)[N@H+](C)C1CC1 ZINC000443756299 563811805 /nfs/dbraw/zinc/81/18/05/563811805.db2.gz JWKXAIISUQLCNI-VIFPVBQESA-N 1 0 381.723 2.864 20 0 GFADRO O=C(c1nc(C2CC2)ncc1Br)N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000366556308 563813646 /nfs/dbraw/zinc/81/36/46/563813646.db2.gz PHBCOXZQFCZWOU-GZBFAFLISA-N 1 0 391.313 2.673 20 0 GFADRO OCC[C@H]([NH2+]C[C@@H](O)COCC(F)(F)F)c1ccc(Cl)c(Cl)c1 ZINC000293471557 563814355 /nfs/dbraw/zinc/81/43/55/563814355.db2.gz XKBLFUNNWQJEQS-MFKMUULPSA-N 1 0 376.202 2.946 20 0 GFADRO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000293492404 563815252 /nfs/dbraw/zinc/81/52/52/563815252.db2.gz RZUMBHONFRBRPY-SMDDNHRTSA-N 1 0 391.265 2.688 20 0 GFADRO O=C(N[C@H]1CC12CC[NH2+]CC2)c1cc(=O)[nH]c2ccc(Br)cc21 ZINC000366596865 563815521 /nfs/dbraw/zinc/81/55/21/563815521.db2.gz LXLQSAXETWIDSD-AWEZNQCLSA-N 1 0 376.254 2.575 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)c2nn(C)cc2Br)C[N@@H+]1Cc1ccccc1 ZINC000293519142 563816450 /nfs/dbraw/zinc/81/64/50/563816450.db2.gz XWGRSFIWLPAMOU-TZMCWYRMSA-N 1 0 377.286 2.575 20 0 GFADRO COC(=O)c1cc(Cl)ccc1S(=O)(=O)NCC[N@@H+]1CCCC(C)(C)C1 ZINC000443965839 563817196 /nfs/dbraw/zinc/81/71/96/563817196.db2.gz KUFGGTLYJVCPNS-UHFFFAOYSA-N 1 0 388.917 2.527 20 0 GFADRO CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H](C)CCCC[NH3+])c1 ZINC000293525063 563817269 /nfs/dbraw/zinc/81/72/69/563817269.db2.gz UORDLHKQCVOSSY-ZDUSSCGKSA-N 1 0 389.949 2.618 20 0 GFADRO Cc1sc(Cl)nc1C(=O)N1C[C@@H]2[C@H](C1)OCCN2Cc1ccccc1 ZINC000366705218 563817678 /nfs/dbraw/zinc/81/76/78/563817678.db2.gz VFLZHROSKLXWAA-CABCVRRESA-N 1 0 377.897 2.830 20 0 GFADRO Cc1nn(C)c(S(=O)(=O)NCC2([NH+](C)C)CCCCCC2)c1C(F)F ZINC000416375986 563819957 /nfs/dbraw/zinc/81/99/57/563819957.db2.gz VBXHWWUBUGAQAE-UHFFFAOYSA-N 1 0 378.489 2.599 20 0 GFADRO Cc1cc(Br)cc(S(=O)(=O)N(C)C[C@H]2CCC[N@H+](C)C2)c1 ZINC000444079287 563820637 /nfs/dbraw/zinc/82/06/37/563820637.db2.gz BMIAKIRRIFAQQP-ZDUSSCGKSA-N 1 0 375.332 2.720 20 0 GFADRO CCOC1CC(C[NH2+]Cc2ncc(C(F)(F)F)s2)(N2CCOCC2)C1 ZINC000366859544 563822371 /nfs/dbraw/zinc/82/23/71/563822371.db2.gz YFXPEWDSQSNXGF-UHFFFAOYSA-N 1 0 379.448 2.521 20 0 GFADRO COc1cc(OC)c(S(=O)(=O)N2CCC[C@@H]2C[NH+]2CCCC2)cc1Cl ZINC000416394946 563822370 /nfs/dbraw/zinc/82/23/70/563822370.db2.gz VTWUGZYTOBHVMZ-CYBMUJFWSA-N 1 0 388.917 2.606 20 0 GFADRO O=C(NCC[C@H]1CCC[NH2+]1)[C@@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 ZINC000444268953 563826107 /nfs/dbraw/zinc/82/61/07/563826107.db2.gz SFPUWRWNLVARDJ-CVEARBPZSA-N 1 0 384.307 2.856 20 0 GFADRO C[C@H](CNC(=O)c1nn(-c2ccc(F)cc2)cc1Br)C[NH+](C)C ZINC000294015929 563830037 /nfs/dbraw/zinc/83/00/37/563830037.db2.gz ZWNNHBBCACWBKO-LLVKDONJSA-N 1 0 383.265 2.701 20 0 GFADRO C[C@@H]1CN(C(=O)Nc2cccc(Br)c2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000367097020 563831189 /nfs/dbraw/zinc/83/11/89/563831189.db2.gz VQEZAQDZZLBZBO-PBHICJAKSA-N 1 0 395.345 2.939 20 0 GFADRO CCC(CC)[C@@H](CNS(=O)(=O)c1cccc(Cl)c1C(=O)OC)[NH+](C)C ZINC000416475443 563835094 /nfs/dbraw/zinc/83/50/94/563835094.db2.gz UQOQARGRCYVRDP-CQSZACIVSA-N 1 0 390.933 2.771 20 0 GFADRO C[C@@](O)(C[N@@H+]1CC[C@@]2(CNC(=O)C2)C1)c1ccc(Br)cc1Cl ZINC000294227625 563835422 /nfs/dbraw/zinc/83/54/22/563835422.db2.gz SQCVEYZYDKJKOC-HZPDHXFCSA-N 1 0 387.705 2.522 20 0 GFADRO C[C@](O)(C[N@@H+]1CC[C@]2(CNC(=O)C2)C1)c1ccc(Br)cc1Cl ZINC000294227624 563835442 /nfs/dbraw/zinc/83/54/42/563835442.db2.gz SQCVEYZYDKJKOC-HOTGVXAUSA-N 1 0 387.705 2.522 20 0 GFADRO CNC(=O)[C@]1(C)CC[N@H+](C[C@](C)(O)c2ccc(Br)cc2Cl)C1 ZINC000294239485 563835485 /nfs/dbraw/zinc/83/54/85/563835485.db2.gz TZAYTLXURMTMOF-CVEARBPZSA-N 1 0 389.721 2.768 20 0 GFADRO C[C@H]1CN(Cc2ccc(I)cc2)CC[N@@H+]1CC(C)(C)O ZINC000444764576 563836318 /nfs/dbraw/zinc/83/63/18/563836318.db2.gz YZVYHWBUIGABLI-ZDUSSCGKSA-N 1 0 388.293 2.568 20 0 GFADRO CC[NH+](CC)C[C@@H](C)NC(=O)Nc1cc(Br)cnc1-n1cccn1 ZINC000444928221 563840393 /nfs/dbraw/zinc/84/03/93/563840393.db2.gz YBZYLSHINDCBJA-GFCCVEGCSA-N 1 0 395.305 2.882 20 0 GFADRO C[C@@H](Oc1ccc(F)cc1Br)C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000367357916 563841448 /nfs/dbraw/zinc/84/14/48/563841448.db2.gz FFDGGHHDQHDTJU-GFCCVEGCSA-N 1 0 385.277 2.958 20 0 GFADRO C[C@H](CNC(=O)c1nc(Br)ccc1Br)C[NH+](C)C ZINC000294415102 563841838 /nfs/dbraw/zinc/84/18/38/563841838.db2.gz XQEVFLWVAROBQM-MRVPVSSYSA-N 1 0 379.096 2.534 20 0 GFADRO C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+]CCCCCS(C)(=O)=O ZINC000367380921 563842825 /nfs/dbraw/zinc/84/28/25/563842825.db2.gz DXGXRYIJJLHILK-CVEARBPZSA-N 1 0 376.563 2.827 20 0 GFADRO Cc1sc(Br)cc1S(=O)(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000445081708 563843157 /nfs/dbraw/zinc/84/31/57/563843157.db2.gz LKULCAPPXXGPKN-UHFFFAOYSA-N 1 0 393.372 2.972 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)Cc1cc[nH]c(=O)c1Br)C1CCCCC1 ZINC000445178540 563844987 /nfs/dbraw/zinc/84/49/87/563844987.db2.gz ADEKOZXPSAUZJC-AWEZNQCLSA-N 1 0 384.318 2.719 20 0 GFADRO O=C1C[C@@H](C[NH2+]Cc2ncc(I)s2)c2ccccc2N1 ZINC000367601404 563850194 /nfs/dbraw/zinc/85/01/94/563850194.db2.gz OASLWRPTOGKFBG-VIFPVBQESA-N 1 0 399.257 2.963 20 0 GFADRO COc1cc(Br)c(C[NH2+][C@@H]2CCN(c3ccn(C)n3)C2)c(OC)c1 ZINC000367695370 563852211 /nfs/dbraw/zinc/85/22/11/563852211.db2.gz FICVUVNEDWXHTH-GFCCVEGCSA-N 1 0 395.301 2.568 20 0 GFADRO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNS(=O)(=O)c1ccsc1 ZINC000416606082 563852442 /nfs/dbraw/zinc/85/24/42/563852442.db2.gz NLBDRCMGZMZJJN-SJLPKXTDSA-N 1 0 380.535 2.564 20 0 GFADRO CN(CC1([NH+](C)C)CCC1)S(=O)(=O)c1ccc(OCC(F)(F)F)cc1 ZINC000445706538 563852695 /nfs/dbraw/zinc/85/26/95/563852695.db2.gz FNLZWOLUEBVECF-UHFFFAOYSA-N 1 0 380.432 2.733 20 0 GFADRO C[C@H](c1ncc(Br)cn1)N1CCC(C)(C[NH+]2CCOCC2)CC1 ZINC000367758823 563854070 /nfs/dbraw/zinc/85/40/70/563854070.db2.gz XCTVSGRSZCHVSD-CQSZACIVSA-N 1 0 383.334 2.734 20 0 GFADRO C[NH+](C)C1(CNC(=O)N[C@@H]2CCN(c3ccccc3Br)C2)CCC1 ZINC000445851540 563854802 /nfs/dbraw/zinc/85/48/02/563854802.db2.gz GLSPVMJQTOTTAV-CQSZACIVSA-N 1 0 395.345 2.811 20 0 GFADRO O=C1NC(=O)[C@H]2C[N@H+](Cc3ccc(-c4ccc(Br)cc4)o3)CC[C@@H]12 ZINC000367826989 563856565 /nfs/dbraw/zinc/85/65/65/563856565.db2.gz DACXLCPCUHAJAF-CABCVRRESA-N 1 0 389.249 2.804 20 0 GFADRO CC[NH+](CC)[C@H](CNC(=O)Cc1cc[nH]c(=O)c1Br)CC(C)C ZINC000446042145 563857363 /nfs/dbraw/zinc/85/73/63/563857363.db2.gz MSQNAERPDOICFY-AWEZNQCLSA-N 1 0 386.334 2.965 20 0 GFADRO COc1ccc(S(=O)(=O)N2CCC([NH2+]C[C@@H]3CCCSC3)CC2)cc1 ZINC000367906915 563859175 /nfs/dbraw/zinc/85/91/75/563859175.db2.gz ZZBJQBAKZFRAPO-HNNXBMFYSA-N 1 0 384.567 2.581 20 0 GFADRO COC(=O)[C@H]1CN(C(=O)Nc2cc(Cl)c(F)c(Cl)c2)CC[N@H+](C)C1 ZINC000417053552 563866600 /nfs/dbraw/zinc/86/66/00/563866600.db2.gz FBTUHTUPUSXIMW-SECBINFHSA-N 1 0 378.231 2.701 20 0 GFADRO Cc1nc(NC(=O)C(=O)N(C)CC[NH+](C(C)C)C(C)C)ccc1Br ZINC000446696469 563867637 /nfs/dbraw/zinc/86/76/37/563867637.db2.gz LZHOKMQPCYCZGE-UHFFFAOYSA-N 1 0 399.333 2.668 20 0 GFADRO O=C(NCCC[NH2+]Cc1cccnc1)NCc1csc(Br)c1 ZINC000417096873 563868203 /nfs/dbraw/zinc/86/82/03/563868203.db2.gz QTMQUTNPUMEUAU-UHFFFAOYSA-N 1 0 383.315 2.885 20 0 GFADRO COCC1(CNC(=O)N[C@@H](C)Cc2ccc(Br)cc2)CC[NH2+]CC1 ZINC000417103411 563868306 /nfs/dbraw/zinc/86/83/06/563868306.db2.gz MPLQKLUNDXQNCW-AWEZNQCLSA-N 1 0 398.345 2.696 20 0 GFADRO O=C(NCCCOc1ccc(Cl)cc1Cl)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O ZINC000368372561 563869548 /nfs/dbraw/zinc/86/95/48/563869548.db2.gz ZTHMXNISMAGQRB-YHWZYXNKSA-N 1 0 385.291 2.693 20 0 GFADRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)NCCc3ccc(F)c(Br)c3)C[C@H]21 ZINC000417172208 563869861 /nfs/dbraw/zinc/86/98/61/563869861.db2.gz FRHDZQCUJAGJPX-WOSRLPQWSA-N 1 0 384.293 2.900 20 0 GFADRO C[C@@H]([NH2+]Cc1ccc(F)cc1I)[C@@H](C)N1CCOCC1 ZINC000417906351 563891722 /nfs/dbraw/zinc/89/17/22/563891722.db2.gz ADPCRXQWYSVGQE-VXGBXAGGSA-N 1 0 392.256 2.629 20 0 GFADRO [NH3+]CCCOC1CCN(C(=O)NCc2cc(F)ccc2Br)CC1 ZINC000417174936 563870391 /nfs/dbraw/zinc/87/03/91/563870391.db2.gz HWGRTABGUMFSFU-UHFFFAOYSA-N 1 0 388.281 2.628 20 0 GFADRO CN(C(=O)c1cccnc1Br)C1CCN(c2cc[nH+]cc2)CC1 ZINC000368451357 563871076 /nfs/dbraw/zinc/87/10/76/563871076.db2.gz RNCGXCWHERQWBQ-UHFFFAOYSA-N 1 0 375.270 2.980 20 0 GFADRO COc1cc(C[N@@H+]2CC[C@H](CC(F)(F)F)C2)cc(Cl)c1OCC(N)=O ZINC000446972960 563871818 /nfs/dbraw/zinc/87/18/18/563871818.db2.gz BNNQWXHAUZAUDT-SNVBAGLBSA-N 1 0 380.794 2.987 20 0 GFADRO C[NH2+]CCC1CCN(C(=O)NCCOc2cccc(Br)c2)CC1 ZINC000417205390 563873077 /nfs/dbraw/zinc/87/30/77/563873077.db2.gz HVXKWOZMXCIFGV-UHFFFAOYSA-N 1 0 384.318 2.859 20 0 GFADRO COC1(CO)CC[NH+](Cc2cn(-c3ccc(Br)cc3)nc2C)CC1 ZINC000447097514 563874817 /nfs/dbraw/zinc/87/48/17/563874817.db2.gz LPWASVRTUXQVLV-UHFFFAOYSA-N 1 0 394.313 2.917 20 0 GFADRO C[C@@H]([NH2+]CCOc1ccc(S(C)(=O)=O)cc1)[C@H]1OCCc2sccc21 ZINC000368633098 563876534 /nfs/dbraw/zinc/87/65/34/563876534.db2.gz MSSZFAAQRFAODC-FZKQIMNGSA-N 1 0 381.519 2.823 20 0 GFADRO C[C@@H](Cc1cccc(Br)c1)NC(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000417286104 563876856 /nfs/dbraw/zinc/87/68/56/563876856.db2.gz MNIRNPLYAIARKT-GXFFZTMASA-N 1 0 376.245 2.677 20 0 GFADRO C[C@@H](C[NH3+])CNS(=O)(=O)c1ccc(-c2ccc(Br)cc2)cc1 ZINC000447247822 563877819 /nfs/dbraw/zinc/87/78/19/563877819.db2.gz JYFSPDPYPQCZCD-LBPRGKRZSA-N 1 0 383.311 2.989 20 0 GFADRO O=C(NCCc1cc(Br)ccc1F)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000417294451 563877828 /nfs/dbraw/zinc/87/78/28/563877828.db2.gz HVXYPBZJLCMOPU-OKILXGFUSA-N 1 0 384.293 2.772 20 0 GFADRO Cc1cc(Br)c(S(=O)(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)s1 ZINC000447253529 563878479 /nfs/dbraw/zinc/87/84/79/563878479.db2.gz ZDOPZOGPHMZLPP-JBLDHEPKSA-N 1 0 379.345 2.567 20 0 GFADRO COc1ccc(Br)cc1CNC(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000417378854 563879326 /nfs/dbraw/zinc/87/93/26/563879326.db2.gz HZXHURSVNMVJPP-NILFDRSVSA-N 1 0 382.302 2.727 20 0 GFADRO C[C@@H](CCC[NH3+])NC(=O)NCc1cc(Br)ccc1OC(F)F ZINC000417415218 563879576 /nfs/dbraw/zinc/87/95/76/563879576.db2.gz XOTBWTIHLRTYPE-VIFPVBQESA-N 1 0 380.233 2.977 20 0 GFADRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)NCc1cc(Br)ccc1OC(F)F ZINC000417412009 563879620 /nfs/dbraw/zinc/87/96/20/563879620.db2.gz ULVDFOKWJNLBDJ-UWVGGRQHSA-N 1 0 392.244 2.929 20 0 GFADRO [NH3+]C[C@@H]1CC[C@H](NC(=O)NCc2cc(Br)ccc2OC(F)F)C1 ZINC000417409105 563879631 /nfs/dbraw/zinc/87/96/31/563879631.db2.gz PLPRXYHIYUHNLN-SKDRFNHKSA-N 1 0 392.244 2.977 20 0 GFADRO O=C(N[C@@H]1CCN(c2ccc(Br)cc2)C1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000417477678 563880575 /nfs/dbraw/zinc/88/05/75/563880575.db2.gz GWJSXJDKKPIQCE-PBHICJAKSA-N 1 0 393.329 2.564 20 0 GFADRO CCOC1CC(C[NH2+]Cc2csc(Br)c2)(N2CCOCC2)C1 ZINC000368914134 563881738 /nfs/dbraw/zinc/88/17/38/563881738.db2.gz OAAAFFNWOUYZHA-UHFFFAOYSA-N 1 0 389.359 2.870 20 0 GFADRO Cc1ccc(NC(=O)C(=O)NCC[N@@H+]2CCCC(C)(C)C2)cc1Br ZINC000447426422 563881820 /nfs/dbraw/zinc/88/18/20/563881820.db2.gz CMBAAKQGJHXJDJ-UHFFFAOYSA-N 1 0 396.329 2.934 20 0 GFADRO Cc1cc(NC(=O)N2CC[NH+](CC(C)(C)O)CC2)cc(F)c1Br ZINC000417539323 563882125 /nfs/dbraw/zinc/88/21/25/563882125.db2.gz DVXBZWLQZSOLSJ-UHFFFAOYSA-N 1 0 388.281 2.817 20 0 GFADRO O=C(c1cc(F)ccc1I)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000368925393 563882323 /nfs/dbraw/zinc/88/23/23/563882323.db2.gz IDBZPUXHRZTPDX-LBPRGKRZSA-N 1 0 388.224 2.741 20 0 GFADRO COC(=O)c1coc([C@H](C)[NH2+]CCNC(=O)c2ccc(Br)cc2)c1 ZINC000447537923 563883100 /nfs/dbraw/zinc/88/31/00/563883100.db2.gz ZNAONKNHOVWTPL-NSHDSACASA-N 1 0 395.253 2.909 20 0 GFADRO COC[C@@H](O)C[N@@H+]1CCC[C@@H]1c1nc(-c2cccc(Br)c2)no1 ZINC000368998851 563884180 /nfs/dbraw/zinc/88/41/80/563884180.db2.gz LSTKPJBYJDTTTO-UONOGXRCSA-N 1 0 382.258 2.643 20 0 GFADRO CC(C)c1n[nH]c(C(=O)NC[C@H]2CCC[C@@H]2[NH+]2CCOCC2)c1Br ZINC000369056763 563885656 /nfs/dbraw/zinc/88/56/56/563885656.db2.gz HVLPWKNCJQKJRO-OLZOCXBDSA-N 1 0 399.333 2.526 20 0 GFADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000369044385 563885778 /nfs/dbraw/zinc/88/57/78/563885778.db2.gz LYQKKGVDHFKMKG-NWDGAFQWSA-N 1 0 375.803 2.926 20 0 GFADRO C[NH2+]C[C@@H]1CCCN(C(=O)NC[C@@H](C)Oc2ccc(Br)cc2)C1 ZINC000417766782 563888566 /nfs/dbraw/zinc/88/85/66/563888566.db2.gz APRIJTRUYFKFJO-KGLIPLIRSA-N 1 0 384.318 2.857 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2ccc(OC(F)F)c(F)c2)C[C@@H]1C ZINC000447868784 563889068 /nfs/dbraw/zinc/88/90/68/563889068.db2.gz MWPQGQKKZBIRRN-RYUDHWBXSA-N 1 0 380.432 2.920 20 0 GFADRO O=S(=O)(Cc1cccc(C(F)(F)F)c1)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000369201761 563889218 /nfs/dbraw/zinc/88/92/18/563889218.db2.gz BVVLIXMJXYDPFK-MRXNPFEDSA-N 1 0 376.444 2.999 20 0 GFADRO CCCN(C(=O)NC[C@H](C)Oc1cccc(Br)c1)[C@@H]1CC[NH2+]C1 ZINC000417797795 563889718 /nfs/dbraw/zinc/88/97/18/563889718.db2.gz RCVLSMNFQVXBKN-DZGCQCFKSA-N 1 0 384.318 3.000 20 0 GFADRO C[C@@H](NC(=O)NCCCC[NH3+])c1nc(-c2ccc(Br)cc2)no1 ZINC000417877815 563890226 /nfs/dbraw/zinc/89/02/26/563890226.db2.gz AGRRMNQUCLZMEO-SNVBAGLBSA-N 1 0 382.262 2.598 20 0 GFADRO C[C@H]([NH2+][C@H](CO)[C@H]1CCCO1)C(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000447923640 563890720 /nfs/dbraw/zinc/89/07/20/563890720.db2.gz SXKWUULYAVJYDS-CUOATXAZSA-N 1 0 380.794 2.815 20 0 GFADRO C[C@H](NC(=O)N1CC[NH2+][C@H](C)C1)c1nc(-c2ccc(Br)cc2)no1 ZINC000417883054 563890936 /nfs/dbraw/zinc/89/09/36/563890936.db2.gz FCWQEZYNYMWBIW-MNOVXSKESA-N 1 0 394.273 2.563 20 0 GFADRO C[C@H](Cc1ccc(F)c(Br)c1)NC(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000417905288 563891547 /nfs/dbraw/zinc/89/15/47/563891547.db2.gz XRFXRRPSUBYCFR-RNCFNFMXSA-N 1 0 394.235 2.816 20 0 GFADRO CC1(C)CN(CC[NH2+]Cc2ccc(F)cc2I)CCO1 ZINC000417910830 563891675 /nfs/dbraw/zinc/89/16/75/563891675.db2.gz KNGPTMZENDVVDM-UHFFFAOYSA-N 1 0 392.256 2.631 20 0 GFADRO CCc1n[nH]c(C(=O)NC[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)c1Br ZINC000369307974 563892062 /nfs/dbraw/zinc/89/20/62/563892062.db2.gz YTXZCWMGZSTJLX-LRDDRELGSA-N 1 0 392.301 2.552 20 0 GFADRO C[C@H](C[NH3+])N(C)C(=O)NCCOc1ccc(Br)cc1C(F)(F)F ZINC000417953405 563892136 /nfs/dbraw/zinc/89/21/36/563892136.db2.gz OGUDZVXHTITGIH-SECBINFHSA-N 1 0 398.223 2.835 20 0 GFADRO NC(=O)[C@H]1CCC[C@H]([NH2+]Cc2ccc(F)cc2I)C1 ZINC000417938098 563892203 /nfs/dbraw/zinc/89/22/03/563892203.db2.gz IDZPIBKCMSVJGS-CABZTGNLSA-N 1 0 376.213 2.564 20 0 GFADRO C[C@@H](CO[C@H]1CCOC1)[NH2+]Cc1ccc(F)cc1I ZINC000417924440 563892241 /nfs/dbraw/zinc/89/22/41/563892241.db2.gz AKBFHCMDOWENNS-GWCFXTLKSA-N 1 0 379.213 2.714 20 0 GFADRO O=C(NCCC[NH2+]Cc1ccc(F)cc1I)C1CCC1 ZINC000417948189 563892259 /nfs/dbraw/zinc/89/22/59/563892259.db2.gz SVGKDNYMFHBWCT-UHFFFAOYSA-N 1 0 390.240 2.826 20 0 GFADRO Fc1ccc(C[NH2+]CCCO[C@H]2CCOC2)c(I)c1 ZINC000417935672 563892307 /nfs/dbraw/zinc/89/23/07/563892307.db2.gz GUALTIHLDDLFKQ-ZDUSSCGKSA-N 1 0 379.213 2.716 20 0 GFADRO C[C@H]1CN(C(=O)NCc2ccc(Br)cc2C(F)(F)F)CC[NH2+]1 ZINC000417956922 563892949 /nfs/dbraw/zinc/89/29/49/563892949.db2.gz TWQZAQNHCUELDT-VIFPVBQESA-N 1 0 380.208 2.971 20 0 GFADRO [NH3+]C[C@@H](NC(=O)NC1CCN(Cc2cc(Cl)cc(Cl)c2)CC1)C1CC1 ZINC000417989396 563893735 /nfs/dbraw/zinc/89/37/35/563893735.db2.gz JMYRHNYUXIVSEW-QGZVFWFLSA-N 1 0 385.339 2.994 20 0 GFADRO CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)N1C[C@H](C)[NH2+]C[C@@H]1C ZINC000417976751 563893807 /nfs/dbraw/zinc/89/38/07/563893807.db2.gz FODHMKBYKPNVKP-QCQGSNGOSA-N 1 0 384.318 2.917 20 0 GFADRO COc1cc(Br)ccc1CCCNC(=O)N1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000417996228 563894374 /nfs/dbraw/zinc/89/43/74/563894374.db2.gz DQUSEZSBIDRKKM-WFASDCNBSA-N 1 0 384.318 2.769 20 0 GFADRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NCCc1c[nH]c2ccc(Br)cc12 ZINC000418004215 563894782 /nfs/dbraw/zinc/89/47/82/563894782.db2.gz NVRISTNEFGSFHF-BDJLRTHQSA-N 1 0 379.302 2.770 20 0 GFADRO C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)NCCc1c[nH]c2ccc(Br)cc12 ZINC000418006098 563894953 /nfs/dbraw/zinc/89/49/53/563894953.db2.gz PTFPJOCNERDXHM-NWDGAFQWSA-N 1 0 379.302 2.865 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)NCCc2c[nH]c3ccc(Br)cc23)C1 ZINC000418009298 563895239 /nfs/dbraw/zinc/89/52/39/563895239.db2.gz UKHGLJNJVOVKDM-WCQYABFASA-N 1 0 379.302 2.852 20 0 GFADRO Cc1cc(Br)cn2cc(CNC(=O)N3CC[C@H](C)C[C@H]3C[NH3+])nc12 ZINC000418021503 563895361 /nfs/dbraw/zinc/89/53/61/563895361.db2.gz PVGAWLMBIUFOLW-NHYWBVRUSA-N 1 0 394.317 2.674 20 0 GFADRO C[C@H]1CCN(C(=O)NCc2cc(Br)cc3c2OCC3)C[C@@H]1C[NH3+] ZINC000418012874 563895634 /nfs/dbraw/zinc/89/56/34/563895634.db2.gz MRDLXQJLLBZPRV-FZMZJTMJSA-N 1 0 382.302 2.510 20 0 GFADRO CCCOC[C@H](Cc1cccc(Br)c1)NC(=O)N1CC[C@H](C[NH3+])C1 ZINC000418025149 563896023 /nfs/dbraw/zinc/89/60/23/563896023.db2.gz FQCQLZGIDLVEJH-WBVHZDCISA-N 1 0 398.345 2.777 20 0 GFADRO CCC([NH3+])(CC)CNC(=O)NCc1cn2cc(Br)cc(C)c2n1 ZINC000418026526 563896044 /nfs/dbraw/zinc/89/60/44/563896044.db2.gz OSZGOWSSSXOZJZ-UHFFFAOYSA-N 1 0 382.306 2.722 20 0 GFADRO CCCOC[C@H](Cc1cccc(Br)c1)NC(=O)N[C@H](C[NH3+])C1CC1 ZINC000418026457 563896076 /nfs/dbraw/zinc/89/60/76/563896076.db2.gz HGWGTBJWKYSJLH-DLBZAZTESA-N 1 0 398.345 2.823 20 0 GFADRO CCCOC[C@H](Cc1cccc(Br)c1)NC(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000418026010 563896131 /nfs/dbraw/zinc/89/61/31/563896131.db2.gz GSPZPCKSDWHWDL-JQFCIGGWSA-N 1 0 398.345 2.918 20 0 GFADRO CCCOC[C@H](Cc1cccc(Br)c1)NC(=O)NC[C@@H](C)C[NH3+] ZINC000418032316 563896381 /nfs/dbraw/zinc/89/63/81/563896381.db2.gz PRGPSYRJFYHZQA-BBRMVZONSA-N 1 0 386.334 2.681 20 0 GFADRO O=C1CC[C@H]([NH2+]Cc2ccc(F)cc2I)C2(CCC2)N1 ZINC000418039792 563896429 /nfs/dbraw/zinc/89/64/29/563896429.db2.gz HXKMXEIWDJDYLX-ZDUSSCGKSA-N 1 0 388.224 2.721 20 0 GFADRO COC(=O)[C@](C)(C[NH2+]Cc1c(Br)c(C)nn1C)c1ccccc1 ZINC000448353405 563896597 /nfs/dbraw/zinc/89/65/97/563896597.db2.gz GYWBGCOCJOXVTH-QGZVFWFLSA-N 1 0 380.286 2.712 20 0 GFADRO [NH3+]C[C@@H]1CCN(C(=O)NCc2cc(Br)ccc2Br)C1 ZINC000418045764 563897030 /nfs/dbraw/zinc/89/70/30/563897030.db2.gz ODKSJGQQGOTARJ-VIFPVBQESA-N 1 0 391.107 2.702 20 0 GFADRO COc1cc(Br)ccc1[C@@H](C)NC(=O)N[C@@H](CC[NH3+])C(F)F ZINC000418073589 563897850 /nfs/dbraw/zinc/89/78/50/563897850.db2.gz WYSCWQACINKQPK-KCJUWKMLSA-N 1 0 380.233 2.800 20 0 GFADRO CC(C)C[C@@H](C[NH3+])NC(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000418094422 563898497 /nfs/dbraw/zinc/89/84/97/563898497.db2.gz IDMXHOJZVDSYRY-CABCVRRESA-N 1 0 383.334 2.700 20 0 GFADRO C[C@H]1CN(C(=O)NCc2cnn(-c3ccc(Br)cc3)c2)CC[C@@H]1[NH3+] ZINC000418090239 563898587 /nfs/dbraw/zinc/89/85/87/563898587.db2.gz NLKJZLWGVQYUOX-LRDDRELGSA-N 1 0 392.301 2.514 20 0 GFADRO CN(C(=O)NCc1cnn(-c2ccc(Br)cc2)c1)C1CC[NH2+]CC1 ZINC000418092004 563898656 /nfs/dbraw/zinc/89/86/56/563898656.db2.gz QPBGNFDHRGNONF-UHFFFAOYSA-N 1 0 392.301 2.528 20 0 GFADRO [NH3+]CC[C@@H]1CCCN(C(=O)N[C@@H]2CCN(c3cccc(Br)c3)C2)C1 ZINC000418106940 563898947 /nfs/dbraw/zinc/89/89/47/563898947.db2.gz YNJSYCKPHHFVHV-GOEBONIOSA-N 1 0 395.345 2.798 20 0 GFADRO CC[C@H](NC(=O)NCC[NH2+]CCOC)c1cc(F)cc(Br)c1 ZINC000418144633 563899845 /nfs/dbraw/zinc/89/98/45/563899845.db2.gz NRKINAHNMJCMCQ-AWEZNQCLSA-N 1 0 376.270 2.575 20 0 GFADRO CC1(CNC(=O)N[C@@H]2COc3cc(F)c(Br)cc32)CC[NH2+]CC1 ZINC000418149316 563899887 /nfs/dbraw/zinc/89/98/87/563899887.db2.gz DLAXAEIOJVAUCA-CYBMUJFWSA-N 1 0 386.265 2.711 20 0 GFADRO CC(C)[N@H+](C)CCCNC(=O)c1ccc(I)cc1F ZINC000448689898 563900157 /nfs/dbraw/zinc/90/01/57/563900157.db2.gz JEPZYMAJZOBFIV-UHFFFAOYSA-N 1 0 378.229 2.890 20 0 GFADRO [NH3+]CC[C@H](NC(=O)N[C@H](c1cncc(Br)c1)C1CC1)C(F)F ZINC000418167980 563900303 /nfs/dbraw/zinc/90/03/03/563900303.db2.gz LPBXPCYDWHDAMC-RYUDHWBXSA-N 1 0 377.233 2.577 20 0 GFADRO CCC[C@H](OC)C(=O)Nc1cc(Br)ccc1N1CC[NH+](C)CC1 ZINC000448814701 563901598 /nfs/dbraw/zinc/90/15/98/563901598.db2.gz WJDHVGHYTIYYQO-INIZCTEOSA-N 1 0 384.318 2.955 20 0 GFADRO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccccc1-n1cc(Br)cn1 ZINC000448983552 563904411 /nfs/dbraw/zinc/90/44/11/563904411.db2.gz IPFZDWBUXRYVFP-UKRRQHHQSA-N 1 0 389.297 2.944 20 0 GFADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[N@H+](C)[C@@H]1CCSC1 ZINC000449011237 563905126 /nfs/dbraw/zinc/90/51/26/563905126.db2.gz PPTGAGAEKVDQFD-BXUZGUMPSA-N 1 0 387.343 2.900 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[N@H+](C)CC1CCOCC1 ZINC000449027390 563905570 /nfs/dbraw/zinc/90/55/70/563905570.db2.gz LVTVVTVZZWYYPC-ZDUSSCGKSA-N 1 0 399.329 2.821 20 0 GFADRO O=C1[C@@H]([NH2+]Cc2ccc(I)cc2)CCN1CC(F)(F)F ZINC000449148942 563907232 /nfs/dbraw/zinc/90/72/32/563907232.db2.gz VNBYLXKJNCIESM-NSHDSACASA-N 1 0 398.166 2.544 20 0 GFADRO CC[C@H](O)CCC[NH2+]Cc1cc(Br)ccc1O[C@H](C)C(=O)NC ZINC000449162598 563907539 /nfs/dbraw/zinc/90/75/39/563907539.db2.gz SKFXTEILDWOQJU-DOMZBBRYSA-N 1 0 387.318 2.603 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+][C@H]1CCC[C@@]1(C)CO ZINC000449171621 563907554 /nfs/dbraw/zinc/90/75/54/563907554.db2.gz IFPWGPWXJIGWKB-IWEFOYFVSA-N 1 0 399.329 2.603 20 0 GFADRO C[C@H](C[NH2+][C@H](C[S@@](C)=O)c1ccccc1)c1ccc(S(C)(=O)=O)cc1 ZINC000449230122 563908181 /nfs/dbraw/zinc/90/81/81/563908181.db2.gz HSPICQJFXODQMI-ZCLJVBCSSA-N 1 0 379.547 2.903 20 0 GFADRO O=S1(=O)CCC(CC[NH2+]Cc2ccc(I)cc2)CC1 ZINC000449217160 563908311 /nfs/dbraw/zinc/90/83/11/563908311.db2.gz XHVDHEUNZRMBAN-UHFFFAOYSA-N 1 0 393.290 2.596 20 0 GFADRO [NH3+]C[C@H]1c2ccccc2CCN1C(=O)COc1cccc(Br)c1 ZINC000563170848 564178660 /nfs/dbraw/zinc/17/86/60/564178660.db2.gz WEJNAWPBXWQZAN-KRWDZBQOSA-N 1 0 375.266 2.913 20 0 GFADRO CCS(=O)(=O)N1CC(C[NH2+]Cc2cc(Cl)c(C)cc2Br)C1 ZINC000449271225 564178889 /nfs/dbraw/zinc/17/88/89/564178889.db2.gz SHPOYVNMWDNHOC-UHFFFAOYSA-N 1 0 395.750 2.782 20 0 GFADRO CC(C)NS(=O)(=O)CC[NH2+][C@@H]1CCCc2ccc(Br)cc21 ZINC000537989279 564179241 /nfs/dbraw/zinc/17/92/41/564179241.db2.gz AUSBSEJNQGMZPE-OAHLLOKOSA-N 1 0 375.332 2.744 20 0 GFADRO COCCN1CCC([NH2+]CCC(=O)Nc2cc(Br)ccc2C)CC1 ZINC000537978240 564179256 /nfs/dbraw/zinc/17/92/56/564179256.db2.gz MGWRCMFWPAUHLI-UHFFFAOYSA-N 1 0 398.345 2.787 20 0 GFADRO CCN(CCC[NH+](C)C)C(=O)CCNC(=O)Nc1ccc(Br)cc1 ZINC000470843894 564179285 /nfs/dbraw/zinc/17/92/85/564179285.db2.gz FABYVULAPOXZJY-UHFFFAOYSA-N 1 0 399.333 2.761 20 0 GFADRO CCN(CCC[NH+](C)C)C(=O)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000470848421 564179328 /nfs/dbraw/zinc/17/93/28/564179328.db2.gz LUTMEUPYOAHNJD-CQSZACIVSA-N 1 0 396.329 2.602 20 0 GFADRO COC[C@@](C)(O)CC[NH2+]Cc1cc(Br)cc(Br)c1N ZINC000449383518 564183386 /nfs/dbraw/zinc/18/33/86/564183386.db2.gz HVDMQBWBOPTWMG-ZDUSSCGKSA-N 1 0 396.123 2.671 20 0 GFADRO O=S(=O)(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1c(F)cccc1OC(F)(F)F ZINC000563293171 564184286 /nfs/dbraw/zinc/18/42/86/564184286.db2.gz SNDZOQSQVINUBL-NEPJUHHUSA-N 1 0 382.379 2.629 20 0 GFADRO CC[C@@H]1[C@@H](CO)CC[N@@H+]1Cc1ccc(Br)cc1N1CCOCC1 ZINC000449431001 564186082 /nfs/dbraw/zinc/18/60/82/564186082.db2.gz WYYLIOAABDKLKD-NVXWUHKLSA-N 1 0 383.330 2.879 20 0 GFADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)NCCC1(O)CCC1 ZINC000505634313 564186421 /nfs/dbraw/zinc/18/64/21/564186421.db2.gz NFRZBLYUJDIVEH-UHFFFAOYSA-N 1 0 398.345 2.827 20 0 GFADRO CO[C@H]1COCC[C@@H]1C[NH2+]Cc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000449458669 564188158 /nfs/dbraw/zinc/18/81/58/564188158.db2.gz PKSVZPYSZCBFOJ-CJNGLKHVSA-N 1 0 380.286 2.980 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)N1CC[C@@H](C(F)(F)F)[C@@H](CO)C1)c1cccs1 ZINC000505704622 564188315 /nfs/dbraw/zinc/18/83/15/564188315.db2.gz FFSOLWDUJNMNDF-JHJVBQTASA-N 1 0 379.448 2.553 20 0 GFADRO C[NH+](C)C1(CNC(=O)Cc2cccc(I)c2)CCCC1 ZINC000471202964 564188834 /nfs/dbraw/zinc/18/88/34/564188834.db2.gz IYJQIVJYSGOYBE-UHFFFAOYSA-N 1 0 386.277 2.824 20 0 GFADRO COc1ccc(C[C@@H](CO)C[NH2+]Cc2c(C)nn(C)c2C)cc1Br ZINC000449597117 564190852 /nfs/dbraw/zinc/19/08/52/564190852.db2.gz CZTIEGGUFVJSCN-OAHLLOKOSA-N 1 0 396.329 2.749 20 0 GFADRO CN(C(=O)Cc1cccc(I)c1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000471283216 564191293 /nfs/dbraw/zinc/19/12/93/564191293.db2.gz NWIULMBHRQAHNF-HNNXBMFYSA-N 1 0 384.261 2.529 20 0 GFADRO O=C(NC[C@@H]1C[NH2+]CCCO1)Nc1ncc(Cc2cccc(Cl)c2)s1 ZINC000563436911 564191642 /nfs/dbraw/zinc/19/16/42/564191642.db2.gz ZPHFSRSXQIFUHY-AWEZNQCLSA-N 1 0 380.901 2.887 20 0 GFADRO C[C@@H]1CSc2ccc(Br)cc2[C@@H]1[NH2+]CC(=O)N1CCOCC1 ZINC000538463355 564191770 /nfs/dbraw/zinc/19/17/70/564191770.db2.gz QBJZKVLPYXNQAI-BDJLRTHQSA-N 1 0 385.327 2.680 20 0 GFADRO CCn1nnc(C)c1C[NH2+]C[C@H](CO)Cc1ccc(C)c(Br)c1 ZINC000449600669 564192276 /nfs/dbraw/zinc/19/22/76/564192276.db2.gz OXTWMTYMKXQMIM-OAHLLOKOSA-N 1 0 381.318 2.618 20 0 GFADRO Cn1cc(I)c(C[NH2+]C2CCC3(CCOCC3)CC2)n1 ZINC000449607389 564193202 /nfs/dbraw/zinc/19/32/02/564193202.db2.gz XOFFFSWKEFBWFR-UHFFFAOYSA-N 1 0 389.281 2.854 20 0 GFADRO COCCN1CC[C@@H]([NH2+]Cc2cccc(Br)c2OC(F)F)C1 ZINC000538533705 564193609 /nfs/dbraw/zinc/19/36/09/564193609.db2.gz UIYZZIGWOQIUNB-GFCCVEGCSA-N 1 0 379.245 2.861 20 0 GFADRO Cn1cc(NC(=O)CC[N@@H+]2CCc3ccccc3C2)cc(Br)c1=O ZINC000471369000 564193922 /nfs/dbraw/zinc/19/39/22/564193922.db2.gz KKFWZAJEQJYRDY-UHFFFAOYSA-N 1 0 390.281 2.535 20 0 GFADRO O=C(CC[NH2+][C@@H]1CCO[C@@]2(CCOC2)C1)Nc1cccc(Br)c1 ZINC000563528721 564195542 /nfs/dbraw/zinc/19/55/42/564195542.db2.gz BVGWINCZDFJKRM-WBVHZDCISA-N 1 0 383.286 2.705 20 0 GFADRO COc1ccc(Br)cc1C[C@H](CO)C[NH2+][C@@H](C)CCn1cccn1 ZINC000449679924 564195825 /nfs/dbraw/zinc/19/58/25/564195825.db2.gz IXZNKGOXXLUYMI-GJZGRUSLSA-N 1 0 396.329 2.874 20 0 GFADRO Cc1cc(CN2CC[NH+]([C@@H]3CCNC(=O)CC3)CC2)sc1Br ZINC000449692798 564196810 /nfs/dbraw/zinc/19/68/10/564196810.db2.gz CBRNUNGYBOVDQZ-ZDUSSCGKSA-N 1 0 386.359 2.605 20 0 GFADRO Cc1ccc(CN2CC[NH+]([C@H]3CCNC(=O)CC3)CC2)cc1Br ZINC000449695835 564196824 /nfs/dbraw/zinc/19/68/24/564196824.db2.gz JAPJJPWDSLLSTJ-MRXNPFEDSA-N 1 0 380.330 2.544 20 0 GFADRO Cc1c(Br)cccc1C[C@H](CO)C[NH2+]Cc1ccnc(N(C)C)n1 ZINC000449686926 564196899 /nfs/dbraw/zinc/19/68/99/564196899.db2.gz ZBGQLNIHGZABMP-AWEZNQCLSA-N 1 0 393.329 2.554 20 0 GFADRO CCn1cc(Br)cc1C(=O)N1CC[C@@H](OCC[NH+](CC)CC)C1 ZINC000471557712 564197796 /nfs/dbraw/zinc/19/77/96/564197796.db2.gz HWYXSCWXOLRGNQ-OAHLLOKOSA-N 1 0 386.334 2.843 20 0 GFADRO O=C1CC[C@H]([NH+]2CCN(Cc3cnc(-c4ccsc4)s3)CC2)CCN1 ZINC000449704346 564197901 /nfs/dbraw/zinc/19/79/01/564197901.db2.gz VPEMUGHVJLNXAA-HNNXBMFYSA-N 1 0 376.551 2.658 20 0 GFADRO CC1(C)C[NH2+]CC[C@@H]1NC(=O)c1ccc(I)c(F)c1 ZINC000449702873 564198090 /nfs/dbraw/zinc/19/80/90/564198090.db2.gz DWCIUDJOPNTVNG-LBPRGKRZSA-N 1 0 376.213 2.548 20 0 GFADRO O=C(NC[C@H]1C[NH2+]CCCO1)NCC1(c2ccc(Br)cc2)CCC1 ZINC000563580620 564198300 /nfs/dbraw/zinc/19/83/00/564198300.db2.gz NTIXTOKHQRQECD-MRXNPFEDSA-N 1 0 396.329 2.549 20 0 GFADRO NS(=O)(=O)C[C@@H]1CCC[N@@H+]1Cc1ccc(-c2ccc(Br)cc2)o1 ZINC000538739459 564199565 /nfs/dbraw/zinc/19/95/65/564199565.db2.gz JFZRSCAWRQCBNM-AWEZNQCLSA-N 1 0 399.310 2.962 20 0 GFADRO COc1cc(F)cc(CNc2cc(N3CCOCC3)c(Br)c[nH+]2)c1 ZINC000449765896 564200502 /nfs/dbraw/zinc/20/05/02/564200502.db2.gz LLTFVEXTPTVUKM-UHFFFAOYSA-N 1 0 396.260 3.441 20 0 GFADRO CCS(=O)(=O)c1ccc(CNC(=O)NC[C@@H](C)[N@@H+]2CCCC[C@H]2C)s1 ZINC000471621360 564200722 /nfs/dbraw/zinc/20/07/22/564200722.db2.gz VWAHXCQHTYXXML-ZIAGYGMSSA-N 1 0 387.571 2.604 20 0 GFADRO CS(=O)(=O)[C@H]1CCC[C@@H]([NH2+]Cc2nc3c(cccc3Br)[nH]2)C1 ZINC000449773994 564201747 /nfs/dbraw/zinc/20/17/47/564201747.db2.gz NYOSCJHUQOQXHK-MNOVXSKESA-N 1 0 386.315 2.771 20 0 GFADRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1S(=O)(=O)Cc1cccc(Br)c1 ZINC000563722861 564204304 /nfs/dbraw/zinc/20/43/04/564204304.db2.gz IPQQEBTWQGGNPH-CZUORRHYSA-N 1 0 387.343 2.838 20 0 GFADRO CC1=CC[N@H+](CCNC(=O)c2ccc(I)c(F)c2)CC1 ZINC000506653301 564208122 /nfs/dbraw/zinc/20/81/22/564208122.db2.gz JIDSJHKQCCKKDS-UHFFFAOYSA-N 1 0 388.224 2.812 20 0 GFADRO C[C@@H]([NH2+]C[C@H]1CCN(S(C)(=O)=O)C1)c1ccc(Br)c(F)c1 ZINC000539046138 564208317 /nfs/dbraw/zinc/20/83/17/564208317.db2.gz VZLQTYQYFUKBKT-GHMZBOCLSA-N 1 0 379.295 2.520 20 0 GFADRO CS(=O)(=O)N1CCC[C@@H]1C[NH2+][C@H]1CCCc2ccc(Br)cc21 ZINC000539040449 564208771 /nfs/dbraw/zinc/20/87/71/564208771.db2.gz BCUSHJCVQFGDMC-ZBFHGGJFSA-N 1 0 387.343 2.840 20 0 GFADRO CN(C)CC[N@H+](C)CCCN(C)S(=O)(=O)Cc1c(Cl)cccc1Cl ZINC000563836480 564208897 /nfs/dbraw/zinc/20/88/97/564208897.db2.gz PFWWGDZALRCJIY-UHFFFAOYSA-N 1 0 396.384 2.639 20 0 GFADRO CC[C@H](CSC)[N@H+](C)CC(=O)N(C)CC(=O)Nc1ccccc1SC ZINC000539097493 564209625 /nfs/dbraw/zinc/20/96/25/564209625.db2.gz XTLYYLPURJGDKR-CQSZACIVSA-N 1 0 383.583 2.879 20 0 GFADRO COCC[N@H+](C)CCNC(=O)Cc1csc2ccc(Br)cc12 ZINC000472029515 564210615 /nfs/dbraw/zinc/21/06/15/564210615.db2.gz MYWQZOQZTVCFQW-UHFFFAOYSA-N 1 0 385.327 2.901 20 0 GFADRO CC(C)C[C@H](CNC(=O)Cc1cccc(I)c1)[NH+](C)C ZINC000472065854 564211727 /nfs/dbraw/zinc/21/17/27/564211727.db2.gz YGFQNCCQZGEIMM-OAHLLOKOSA-N 1 0 388.293 2.926 20 0 GFADRO CC[C@H]1CN(C(=O)Cc2cc(Br)ccc2C)CC[N@@H+]1C[C@@H](C)O ZINC000450029756 564214534 /nfs/dbraw/zinc/21/45/34/564214534.db2.gz WOROBRCZGABDFA-PBHICJAKSA-N 1 0 383.330 2.604 20 0 GFADRO O=C(NCCNc1cc[nH+]cc1)c1ccc(Br)cc1Br ZINC000506945572 564214578 /nfs/dbraw/zinc/21/45/78/564214578.db2.gz PXHPBQHFACZHAP-UHFFFAOYSA-N 1 0 399.086 2.870 20 0 GFADRO CC[C@@H]1CN(C(=O)Cc2cc(Br)ccc2C)CC[N@@H+]1C[C@H](C)O ZINC000450029759 564214629 /nfs/dbraw/zinc/21/46/29/564214629.db2.gz WOROBRCZGABDFA-WMLDXEAASA-N 1 0 383.330 2.604 20 0 GFADRO CC(C)[N@@H+]1CC[C@H](CNc2c(Br)cccc2S(C)(=O)=O)C1 ZINC000563985351 564215384 /nfs/dbraw/zinc/21/53/84/564215384.db2.gz CQTFEFXASKEOHE-GFCCVEGCSA-N 1 0 375.332 2.995 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)Nc1ccncc1Br)c1ccc(F)cc1 ZINC000507164197 564219571 /nfs/dbraw/zinc/21/95/71/564219571.db2.gz XHBJQCGCYDINIV-OAHLLOKOSA-N 1 0 381.249 2.830 20 0 GFADRO CC[C@H]([NH2+]CC(=O)NCC(=O)Nc1ccccc1Br)C(C)(C)C ZINC000539491209 564220660 /nfs/dbraw/zinc/22/06/60/564220660.db2.gz LLAAWANTDIYVCF-AWEZNQCLSA-N 1 0 384.318 2.918 20 0 GFADRO CN(CC[N@H+](C)C1CC1)C(=O)C(=O)NCCCc1ccc(Cl)cc1Cl ZINC000564128587 564221270 /nfs/dbraw/zinc/22/12/70/564221270.db2.gz KCAKRFGQUJYNQX-UHFFFAOYSA-N 1 0 386.323 2.595 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)Nc1ccncc1Br)c1cccc(F)c1 ZINC000507240467 564223552 /nfs/dbraw/zinc/22/35/52/564223552.db2.gz ZOBWIGSCEAUKNA-HNNXBMFYSA-N 1 0 381.249 2.830 20 0 GFADRO C[N@H+](CCCNc1cc(Br)cnc1C(N)=O)Cc1ccccc1 ZINC000472499932 564225132 /nfs/dbraw/zinc/22/51/32/564225132.db2.gz MUAREJAYGBEZHM-UHFFFAOYSA-N 1 0 377.286 2.877 20 0 GFADRO C[N@H+](CCO)C1CCN(c2ncc(Br)cc2C(F)(F)F)CC1 ZINC000450314288 564226659 /nfs/dbraw/zinc/22/66/59/564226659.db2.gz BVMZYFHSKMFJCG-UHFFFAOYSA-N 1 0 382.224 2.756 20 0 GFADRO COC(=O)c1ccc(S(=O)(=O)NC[C@H](C)[N@@H+]2CCCC[C@@H]2C)c(Cl)c1 ZINC000507393015 564228127 /nfs/dbraw/zinc/22/81/27/564228127.db2.gz VHRZOYGWBIXXKF-STQMWFEESA-N 1 0 388.917 2.668 20 0 GFADRO COc1ccc(Br)cc1CC(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000564320489 564228404 /nfs/dbraw/zinc/22/84/04/564228404.db2.gz OXOQTARHSITPSD-DLBZAZTESA-N 1 0 389.293 2.872 20 0 GFADRO CCOC(=O)COc1c(Br)cc(C)cc1C[NH2+]C[C@@H](O)C1CC1 ZINC000564315727 564228666 /nfs/dbraw/zinc/22/86/66/564228666.db2.gz XQAHRQKIWXTDLS-OAHLLOKOSA-N 1 0 386.286 2.560 20 0 GFADRO Cc1nc2sccn2c(=O)c1CC[NH2+][C@@H](CO)c1cccc(Cl)c1F ZINC000564354407 564230042 /nfs/dbraw/zinc/23/00/42/564230042.db2.gz KNSNFCRWHNIBJP-AWEZNQCLSA-N 1 0 381.860 2.723 20 0 GFADRO COc1ccc(Br)c(C(=O)NCCC[NH2+][C@H](C)[C@@H]2CCCOC2)c1 ZINC000507481134 564230015 /nfs/dbraw/zinc/23/00/15/564230015.db2.gz CICZIRBXVCQISD-ZIAGYGMSSA-N 1 0 399.329 2.982 20 0 GFADRO Brc1ccc2c(c1)ncnc2N1CC[NH+](C2CCOCC2)CC1 ZINC000450367002 564230161 /nfs/dbraw/zinc/23/01/61/564230161.db2.gz VMACIKBTGHHUNK-UHFFFAOYSA-N 1 0 377.286 2.693 20 0 GFADRO CC[N@@H+]1CCC[C@H](CNS(=O)(=O)c2cccc(Br)c2C)C1 ZINC000472613609 564230306 /nfs/dbraw/zinc/23/03/06/564230306.db2.gz SEROUACUQSSVQF-CYBMUJFWSA-N 1 0 375.332 2.768 20 0 GFADRO Cc1cc(Br)c(F)cc1NC(=O)C(=O)N[C@H](C)C[N@@H+](C)C(C)C ZINC000564493649 564235831 /nfs/dbraw/zinc/23/58/31/564235831.db2.gz BBURFPARYBKRPF-LLVKDONJSA-N 1 0 388.281 2.680 20 0 GFADRO NC(=O)[C@@H]1CCC[C@H]([NH2+]Cc2c(Br)cncc2Br)C1 ZINC000564530289 564237716 /nfs/dbraw/zinc/23/77/16/564237716.db2.gz YRSTUAPMIJXRGH-BDAKNGLRSA-N 1 0 391.107 2.740 20 0 GFADRO CS[C@H]1CN(C(=O)CCOc2ccccc2Br)C[C@H]1[NH+](C)C ZINC000540126114 564240043 /nfs/dbraw/zinc/24/00/43/564240043.db2.gz KELPZSCVBUDEPK-HIFRSBDPSA-N 1 0 387.343 2.722 20 0 GFADRO C[C@@H](Cn1cc(Br)cn1)[NH2+]CCCN(C(=O)C1CCC1)C1CC1 ZINC000540179876 564240717 /nfs/dbraw/zinc/24/07/17/564240717.db2.gz IVPHUCFREULMSU-ZDUSSCGKSA-N 1 0 383.334 2.805 20 0 GFADRO CS(=O)(=O)N1CCC[C@H]([NH2+][C@@H]2CCc3c2c(Br)ccc3F)C1 ZINC000540173132 564240762 /nfs/dbraw/zinc/24/07/62/564240762.db2.gz DHSXHVVWPYHMTI-IINYFYTJSA-N 1 0 391.306 2.589 20 0 GFADRO C[C@@H]([NH2+]CC1CCN(S(C)(=O)=O)CC1)c1ccc(Br)c(F)c1 ZINC000540141321 564240908 /nfs/dbraw/zinc/24/09/08/564240908.db2.gz IZKFBUWVQGAUAG-LLVKDONJSA-N 1 0 393.322 2.910 20 0 GFADRO C[C@@H]1CN(C2CC2)C[C@H]1[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000540164661 564240961 /nfs/dbraw/zinc/24/09/61/564240961.db2.gz VZYDHQUOTMURNW-RDTXWAMCSA-N 1 0 394.357 2.858 20 0 GFADRO CC(C)(C)NS(=O)(=O)CC[NH2+][C@H]1CCc2c1cc(Br)cc2F ZINC000540143132 564241129 /nfs/dbraw/zinc/24/11/29/564241129.db2.gz QZIJVHNNJIRARN-AWEZNQCLSA-N 1 0 393.322 2.883 20 0 GFADRO CC(C)(COc1ncccc1Br)[NH2+]Cc1cn(CC2CC2)nn1 ZINC000450651154 564242499 /nfs/dbraw/zinc/24/24/99/564242499.db2.gz MNDJPKOZDBROHC-UHFFFAOYSA-N 1 0 380.290 2.793 20 0 GFADRO C[NH+](C)CC[C@](C)(O)CNC(=O)c1cc2c(cc(Br)cc2F)[nH]1 ZINC000473267316 564242522 /nfs/dbraw/zinc/24/25/22/564242522.db2.gz BBCZPAQQCJJEHO-INIZCTEOSA-N 1 0 386.265 2.502 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]1C1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000564655867 564243191 /nfs/dbraw/zinc/24/31/91/564243191.db2.gz NOHHHDFXGMBKHD-CABCVRRESA-N 1 0 379.309 2.510 20 0 GFADRO Cc1[nH]c(=O)c(Br)cc1C(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000507785276 564243357 /nfs/dbraw/zinc/24/33/57/564243357.db2.gz RGOIGCABTYSKCH-AWEZNQCLSA-N 1 0 392.297 2.761 20 0 GFADRO O=S1(=O)CCC(O)(C[NH2+]C2(c3cccc(C(F)(F)F)c3)CCC2)CC1 ZINC000540457556 564248492 /nfs/dbraw/zinc/24/84/92/564248492.db2.gz FOZDZLKVNWVGID-UHFFFAOYSA-N 1 0 377.428 2.614 20 0 GFADRO C[C@@H]1CN(c2ncc(Br)cc2C(F)(F)F)C[C@H](C)[N@H+]1CCO ZINC000450790054 564248705 /nfs/dbraw/zinc/24/87/05/564248705.db2.gz GKSDCLMKWZMWMP-AOOOYVTPSA-N 1 0 382.224 2.754 20 0 GFADRO CN(CCC[NH+](C)C)C(=O)[C@@H](c1cc(Cl)cc(Cl)c1)N1CCOCC1 ZINC000540516050 564250405 /nfs/dbraw/zinc/25/04/05/564250405.db2.gz UEWUFMOTTAWMAP-QGZVFWFLSA-N 1 0 388.339 2.777 20 0 GFADRO Cc1csc(C(=O)N[C@H](C)[C@H]2CCC[NH2+]C2)c1I ZINC000564837584 564251734 /nfs/dbraw/zinc/25/17/34/564251734.db2.gz VSVPTRBPPYIQDZ-ZJUUUORDSA-N 1 0 378.279 2.779 20 0 GFADRO C[C@@H]1CN(C[C@@H](O)C[NH2+]CC2(c3ccccc3Br)CC2)C[C@@H](C)O1 ZINC000564855338 564252478 /nfs/dbraw/zinc/25/24/78/564252478.db2.gz QOEORSOUVJHQRL-OAGGEKHMSA-N 1 0 397.357 2.540 20 0 GFADRO CC(=O)NCC[N@@H+](Cc1ccc(Cl)cc1Cl)C[C@@H]1CCNC(=O)CC1 ZINC000450927264 564255811 /nfs/dbraw/zinc/25/58/11/564255811.db2.gz ORGOGTIALBWPCP-AWEZNQCLSA-N 1 0 386.323 2.848 20 0 GFADRO COc1ccc(Br)c(CNC(=O)NCC2(C)CC[NH+](C)CC2)c1 ZINC000508148488 564256131 /nfs/dbraw/zinc/25/61/31/564256131.db2.gz HYMJZRRZQKBBSV-UHFFFAOYSA-N 1 0 384.318 2.989 20 0 GFADRO CC(C)[NH2+]CCC(=O)NC1CCN(Cc2ccc(Br)cc2)CC1 ZINC000564934767 564257910 /nfs/dbraw/zinc/25/79/10/564257910.db2.gz FMALPEGTBNRSCJ-UHFFFAOYSA-N 1 0 382.346 2.918 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C(=O)N(C)C1CC[NH2+]CC1 ZINC000564947301 564258836 /nfs/dbraw/zinc/25/88/36/564258836.db2.gz IFQLEIMRICZERP-UHFFFAOYSA-N 1 0 377.286 2.767 20 0 GFADRO COC(=O)c1ccc(S(=O)(=O)N[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)cc1Cl ZINC000473952202 564259610 /nfs/dbraw/zinc/25/96/10/564259610.db2.gz QASXHXKUSLSVJN-OLZOCXBDSA-N 1 0 388.917 2.525 20 0 GFADRO Cc1c(Br)cccc1S(=O)(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000473948259 564259906 /nfs/dbraw/zinc/25/99/06/564259906.db2.gz FQKVJZREBVXFPR-LBPRGKRZSA-N 1 0 375.332 2.910 20 0 GFADRO CC[NH+]1CCC(N(C)S(=O)(=O)c2ccc(Br)c(OC)c2)CC1 ZINC000474055234 564262544 /nfs/dbraw/zinc/26/25/44/564262544.db2.gz RYLBCIRFVNJOHF-UHFFFAOYSA-N 1 0 391.331 2.563 20 0 GFADRO O=C(NC[C@@H]1CSc2ccccc2O1)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000565030527 564262927 /nfs/dbraw/zinc/26/29/27/564262927.db2.gz CESGMOKPUXVVNU-HZPDHXFCSA-N 1 0 378.563 2.873 20 0 GFADRO CO[C@H]1CCN(C(=O)Cc2csc(-c3ccccc3Cl)n2)[C@@H](C[NH3+])C1 ZINC000565039900 564263607 /nfs/dbraw/zinc/26/36/07/564263607.db2.gz KUNPKXOTXBAQRI-KGLIPLIRSA-N 1 0 379.913 2.971 20 0 GFADRO C[NH+]1CCC(N(Cc2ccco2)S(=O)(=O)C[C@H]2CCCC2(F)F)CC1 ZINC000451024373 564263848 /nfs/dbraw/zinc/26/38/48/564263848.db2.gz WKMIJVYQNUUPGV-CQSZACIVSA-N 1 0 376.469 2.941 20 0 GFADRO [NH3+]CCC1CCN(C(=O)C(=O)N[C@@H]2C[C@H]2c2ccc(Cl)cc2Cl)CC1 ZINC000565110594 564267019 /nfs/dbraw/zinc/26/70/19/564267019.db2.gz WJUOZISIGAYULU-GOEBONIOSA-N 1 0 384.307 2.553 20 0 GFADRO NS(=O)(=O)NC[C@H]1CCC[N@H+](CCCCc2ccc(Cl)c(Cl)c2)C1 ZINC000474145547 564267433 /nfs/dbraw/zinc/26/74/33/564267433.db2.gz BXCBFXCEOAQUKQ-CQSZACIVSA-N 1 0 394.368 2.821 20 0 GFADRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1cc(I)ccc1F ZINC000474184141 564268482 /nfs/dbraw/zinc/26/84/82/564268482.db2.gz VRRKLIWGRHWNRG-KBPBESRZSA-N 1 0 388.224 2.787 20 0 GFADRO C[N@@H+]1CCC[C@H]1CNC(=O)N[C@H](CO)c1ccc(Cl)cc1C(F)(F)F ZINC000474178636 564268511 /nfs/dbraw/zinc/26/85/11/564268511.db2.gz QNNSMZGVQRIJEL-SMDDNHRTSA-N 1 0 379.810 2.786 20 0 GFADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)N[C@@H]3COc4cc(F)c(Br)cc43)[C@H]2C1 ZINC000508656061 564269428 /nfs/dbraw/zinc/26/94/28/564269428.db2.gz XHCQXPJKFDPPAH-KMUNFCNLSA-N 1 0 398.276 2.757 20 0 GFADRO O=C(N[C@H]1COc2cc(F)c(Br)cc21)N1CC[NH+](CC2CC2)CC1 ZINC000508657959 564269502 /nfs/dbraw/zinc/26/95/02/564269502.db2.gz FSJIQYOPVRVWMO-HNNXBMFYSA-N 1 0 398.276 2.759 20 0 GFADRO CC(C)C[NH+]1CCC(NC(=O)c2cn3ccc(Br)cc3n2)CC1 ZINC000508687093 564270242 /nfs/dbraw/zinc/27/02/42/564270242.db2.gz BWJFBSBOQIIGOD-UHFFFAOYSA-N 1 0 379.302 2.947 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cc(I)ccc1F ZINC000474227192 564270614 /nfs/dbraw/zinc/27/06/14/564270614.db2.gz DBOKIHGHCBYUEO-VXGBXAGGSA-N 1 0 388.224 2.787 20 0 GFADRO CS(=O)(=O)N1CCC[C@@H]1C[NH2+][C@@H]1CCCc2c(Br)cccc21 ZINC000541246414 564270726 /nfs/dbraw/zinc/27/07/26/564270726.db2.gz FPGGIDBTMSGUNS-MLGOLLRUSA-N 1 0 387.343 2.840 20 0 GFADRO C[C@H]1CCCC[N@@H+]1CCNC(=O)NCCOc1ncc(Cl)cc1Cl ZINC000474247433 564271486 /nfs/dbraw/zinc/27/14/86/564271486.db2.gz HETHNSQYSRMVHJ-LBPRGKRZSA-N 1 0 375.300 2.941 20 0 GFADRO C[C@@H](C[NH+]1CCCCC1)NC(=O)NCCOc1ncc(Cl)cc1Cl ZINC000474259444 564272435 /nfs/dbraw/zinc/27/24/35/564272435.db2.gz VHGMVMQRJMCZMF-LBPRGKRZSA-N 1 0 375.300 2.941 20 0 GFADRO C[C@@H](CO)[N@@H+]1CCCN(C(=O)c2cc3c(Br)cccc3cn2)CC1 ZINC000451088568 564273308 /nfs/dbraw/zinc/27/33/08/564273308.db2.gz QHFILRQHWVVPNU-ZDUSSCGKSA-N 1 0 392.297 2.526 20 0 GFADRO CCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1c(C)cc(C)cc1Br ZINC000508942591 564276512 /nfs/dbraw/zinc/27/65/12/564276512.db2.gz OTWBJYUMDUPWPL-AWEZNQCLSA-N 1 0 396.329 2.995 20 0 GFADRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)N[C@@H](C)c1ncc(Br)cn1 ZINC000565340733 564276843 /nfs/dbraw/zinc/27/68/43/564276843.db2.gz AIBYOBZHZKJWAZ-JSGCOSHPSA-N 1 0 384.322 2.864 20 0 GFADRO COc1cc(C[NH2+]CC[C@@H]2CCOC2)cc(I)c1OC ZINC000541367410 564277237 /nfs/dbraw/zinc/27/72/37/564277237.db2.gz LFVHNGQUVFNWFF-LLVKDONJSA-N 1 0 391.249 2.825 20 0 GFADRO COc1cc(Br)ccc1CCC[N@H+](C)[C@H]1CCN2CCO[C@H]1C2 ZINC000451141591 564278796 /nfs/dbraw/zinc/27/87/96/564278796.db2.gz VDTDCTZHYZSLDZ-WMZOPIPTSA-N 1 0 383.330 2.795 20 0 GFADRO Cc1nc2sccn2c(=O)c1CC[N@H+](C[C@H]1CCCO1)[C@@H]1CCSC1 ZINC000509006131 564279187 /nfs/dbraw/zinc/27/91/87/564279187.db2.gz HNLRGNVHYSLCDS-HUUCEWRRSA-N 1 0 379.551 2.593 20 0 GFADRO O=S(=O)(c1ccccc1OC(F)(F)F)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000565412690 564280199 /nfs/dbraw/zinc/28/01/99/564280199.db2.gz LDYXCOVOHFGBIZ-OLZOCXBDSA-N 1 0 378.416 2.738 20 0 GFADRO C[N@@H+]1CC[C@H]2CCN(S(=O)(=O)c3ccc(Cl)cc3Br)[C@@H]2C1 ZINC000541536896 564282240 /nfs/dbraw/zinc/28/22/40/564282240.db2.gz CDKAHGWXFTXKHM-GXFFZTMASA-N 1 0 393.734 2.817 20 0 GFADRO CC(C)[N@@H+]1CCC[C@H](NS(=O)(=O)c2cc(Br)ccc2F)C1 ZINC000474582524 564282431 /nfs/dbraw/zinc/28/24/31/564282431.db2.gz XLOYXQCZTODGTN-LBPRGKRZSA-N 1 0 379.295 2.739 20 0 GFADRO Ic1cccc(C[C@@H]2CC[N@H+](C[C@@H]3COCCO3)C2)c1 ZINC000451193977 564285136 /nfs/dbraw/zinc/28/51/36/564285136.db2.gz QVPCSLGBVQGVMJ-GOEBONIOSA-N 1 0 387.261 2.571 20 0 GFADRO C[C@H](C[C@H]1COCC[NH2+]1)N[C@H](C)c1cc2c(cc1Br)OCCO2 ZINC000565533588 564285664 /nfs/dbraw/zinc/28/56/64/564285664.db2.gz ACNUXMVTFQLUJX-UPJWGTAASA-N 1 0 385.302 2.638 20 0 GFADRO C[C@@H]([NH2+]C1CC1)C(=O)NCCSCCOc1cccc(Br)c1 ZINC000565538572 564285743 /nfs/dbraw/zinc/28/57/43/564285743.db2.gz RVGMFSQNRAIFIP-GFCCVEGCSA-N 1 0 387.343 2.818 20 0 GFADRO CCn1nccc1N1CCC[C@H]([NH2+][C@@H](C)c2cncc(Br)c2)C1=O ZINC000565548811 564286405 /nfs/dbraw/zinc/28/64/05/564286405.db2.gz IQVNEJGFKAHTCR-WFASDCNBSA-N 1 0 392.301 2.907 20 0 GFADRO CN(C(=O)c1cc(I)ccc1F)[C@H]1C[NH+]2CCC1CC2 ZINC000474739889 564287786 /nfs/dbraw/zinc/28/77/86/564287786.db2.gz ADPLIZSUDQUGBV-AWEZNQCLSA-N 1 0 388.224 2.597 20 0 GFADRO COc1ccc(Br)cc1S(=O)(=O)N(C)CCC[NH+]1CCCC1 ZINC000541760434 564287890 /nfs/dbraw/zinc/28/78/90/564287890.db2.gz MXIDOSDFCIMAOH-UHFFFAOYSA-N 1 0 391.331 2.564 20 0 GFADRO CS[C@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2C)C[C@H]1[NH+](C)C ZINC000509222042 564288786 /nfs/dbraw/zinc/28/87/86/564288786.db2.gz FUZMTKKTIDSSMS-OLZOCXBDSA-N 1 0 382.473 2.680 20 0 GFADRO COCCC[N@H+](C)CCNCc1c(F)ccc(I)c1F ZINC000474800477 564289266 /nfs/dbraw/zinc/28/92/66/564289266.db2.gz SWMAFMLRGDWWPL-UHFFFAOYSA-N 1 0 398.235 2.627 20 0 GFADRO O[C@H](C[NH2+]CCCN1CCN(c2ccccc2Cl)CC1)CC(F)(F)F ZINC000565652306 564289894 /nfs/dbraw/zinc/28/98/94/564289894.db2.gz GJCNWVRISMNGDO-AWEZNQCLSA-N 1 0 379.854 2.755 20 0 GFADRO CC1(C)OCC[C@@H]1[NH2+]C[C@H](O)COc1ccc(Cl)cc1Br ZINC000451235092 564290527 /nfs/dbraw/zinc/29/05/27/564290527.db2.gz HKNCCHMJKKKXQJ-FZMZJTMJSA-N 1 0 378.694 2.999 20 0 GFADRO O=C1CC[C@H]([NH+]2CCN(c3nc4cc(Cl)cc(Cl)c4o3)CC2)CCN1 ZINC000565698201 564292141 /nfs/dbraw/zinc/29/21/41/564292141.db2.gz UEIXNRQTMMXXNU-LBPRGKRZSA-N 1 0 383.279 2.925 20 0 GFADRO C[C@@H]([NH2+]CCNS(=O)(=O)c1cccnc1)C1CCC(C(F)(F)F)CC1 ZINC000474870266 564292164 /nfs/dbraw/zinc/29/21/64/564292164.db2.gz SLZBUGRLGQJYOK-IYXRBSQSSA-N 1 0 379.448 2.707 20 0 GFADRO C[C@@H](NC(=O)c1cc(=O)c2cc(Br)ccc2[nH]1)C1=CC[N@H+](C)CC1 ZINC000541896992 564293403 /nfs/dbraw/zinc/29/34/03/564293403.db2.gz BESIRUMGDYLMCY-LLVKDONJSA-N 1 0 390.281 2.671 20 0 GFADRO CN(CC[N@H+](C)CCSC1CCCCC1)c1ccc(S(N)(=O)=O)cc1 ZINC000451275758 564293923 /nfs/dbraw/zinc/29/39/23/564293923.db2.gz JDUQFCJQEHOVLH-UHFFFAOYSA-N 1 0 385.599 2.768 20 0 GFADRO C[C@@H]([NH2+]C[C@@]1(N2CCOCC2)CCSC1)c1ccc(Br)cn1 ZINC000565750580 564294266 /nfs/dbraw/zinc/29/42/66/564294266.db2.gz VDFJOXDZFVRCJQ-CJNGLKHVSA-N 1 0 386.359 2.703 20 0 GFADRO Cc1c(C[N@@H+]2CCC[C@@H](C(=O)Nc3ccc(Br)cn3)C2)cnn1C ZINC000509365631 564294904 /nfs/dbraw/zinc/29/49/04/564294904.db2.gz KVUWGRNTNAYEJM-CYBMUJFWSA-N 1 0 392.301 2.737 20 0 GFADRO COc1ccccc1[C@@H](CO)[NH2+]C[C@H](O)COc1ccc(Br)cc1 ZINC000541985494 564297205 /nfs/dbraw/zinc/29/72/05/564297205.db2.gz YZSBVENUTNZZEQ-WMLDXEAASA-N 1 0 396.281 2.521 20 0 GFADRO Cn1ncc(Cl)c1C[NH2+]CCOc1ccc(I)cc1 ZINC000509430040 564298508 /nfs/dbraw/zinc/29/85/08/564298508.db2.gz NUAOZIKQPAZUHO-UHFFFAOYSA-N 1 0 391.640 2.847 20 0 GFADRO O[C@@H]1C[C@@H]([C@@H]2CCCOC2)[N@H+](CCOc2cc(F)cc(Br)c2)C1 ZINC000451302633 564298887 /nfs/dbraw/zinc/29/88/87/564298887.db2.gz KTXUGMCEBKTDGX-VMGRFDJRSA-N 1 0 388.277 2.829 20 0 GFADRO CCN(CCC[NH2+][C@H](C)c1ccc(S(=O)(=O)NC)cc1)CC(F)(F)F ZINC000475133247 564300334 /nfs/dbraw/zinc/30/03/34/564300334.db2.gz YUNZFSDFGLXXCQ-CYBMUJFWSA-N 1 0 381.464 2.520 20 0 GFADRO O=C(N[C@@H]1CCOc2c(Br)cccc21)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000565881928 564300543 /nfs/dbraw/zinc/30/05/43/564300543.db2.gz RZWMMVFCECYXHL-TYNCELHUSA-N 1 0 380.286 2.524 20 0 GFADRO C[C@@H](C[NH+]1CCC(CNS(C)(=O)=O)CC1)c1cccc(Br)c1 ZINC000565897459 564301667 /nfs/dbraw/zinc/30/16/67/564301667.db2.gz CKTBKYGLAORSJH-ZDUSSCGKSA-N 1 0 389.359 2.814 20 0 GFADRO CCC[N@H+](C)[C@H](CNS(=O)(=O)c1cn(CC)cn1)c1ccc(Cl)cc1 ZINC000509619931 564305792 /nfs/dbraw/zinc/30/57/92/564305792.db2.gz HDUJLRPHHIXDGX-MRXNPFEDSA-N 1 0 384.933 2.918 20 0 GFADRO C[C@@H](CNC(=O)COC1CCC([NH3+])CC1)Oc1cccc(Br)c1 ZINC000566007848 564305958 /nfs/dbraw/zinc/30/59/58/564305958.db2.gz VJRFPUIZMKUERC-GRTSSRMGSA-N 1 0 385.302 2.619 20 0 GFADRO C[N@@H+]1CCCC12CCN(Cc1cc(=O)n3cc(Br)ccc3n1)CC2 ZINC000542265259 564307519 /nfs/dbraw/zinc/30/75/19/564307519.db2.gz HDVJJJCWRUBGDC-UHFFFAOYSA-N 1 0 391.313 2.517 20 0 GFADRO Cc1cc(N2CCC([NH2+]CCO)CC2)c2cc(Br)cc(F)c2n1 ZINC000566051458 564307633 /nfs/dbraw/zinc/30/76/33/564307633.db2.gz XYMKZRUABWCACK-UHFFFAOYSA-N 1 0 382.277 2.996 20 0 GFADRO C[C@@]1(C(=O)N2CCC(C(=O)Nc3cccc(Br)c3)CC2)CCC[NH2+]1 ZINC000566096620 564309556 /nfs/dbraw/zinc/30/95/56/564309556.db2.gz IVJDSEHCPASTQC-SFHVURJKSA-N 1 0 394.313 2.768 20 0 GFADRO CO[C@@H]([C@@H](C)[NH2+]CCS(=O)(=O)c1cccc(Br)c1)C1CC1 ZINC000566121647 564310396 /nfs/dbraw/zinc/31/03/96/564310396.db2.gz MARAFROXTYZZFO-ABAIWWIYSA-N 1 0 376.316 2.626 20 0 GFADRO Cn1cc2c(n1)CCC[C@H]2[NH2+]C[C@H](O)COc1ccc(Br)cc1 ZINC000566129146 564311457 /nfs/dbraw/zinc/31/14/57/564311457.db2.gz YGGHCXFIHBCXDJ-XJKSGUPXSA-N 1 0 380.286 2.590 20 0 GFADRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)C(=O)Nc1ccc(Br)cc1F ZINC000509787491 564313426 /nfs/dbraw/zinc/31/34/26/564313426.db2.gz DFQPFAHLCZEDDI-IAQYHMDHSA-N 1 0 398.276 2.612 20 0 GFADRO C[C@@H]([NH3+])C[C@H](C)NC(=O)N1CCN(C(=O)c2cc3sccc3s2)CC1 ZINC000566192190 564315545 /nfs/dbraw/zinc/31/55/45/564315545.db2.gz JKRSADLMNRVLLP-NEPJUHHUSA-N 1 0 380.539 2.556 20 0 GFADRO CCC[C@](C)([NH3+])C(=O)N1CCN(Cc2cc(Br)ccc2F)CC1 ZINC000566194580 564316045 /nfs/dbraw/zinc/31/60/45/564316045.db2.gz BEKUHUGGMOXXSY-KRWDZBQOSA-N 1 0 386.309 2.750 20 0 GFADRO CC1(C)[C@H]([NH2+]C[C@H](O)COc2ccc(Br)cc2)[C@H]2CCCO[C@@H]21 ZINC000451481575 564318237 /nfs/dbraw/zinc/31/82/37/564318237.db2.gz RSZQWVIKNUAYKI-SVGFKBNWSA-N 1 0 384.314 2.982 20 0 GFADRO CC(C)(C)[C@@H]1CC[N@H+](C[C@@H](O)COc2ccc(Br)cc2)C[C@H]1O ZINC000542554151 564318487 /nfs/dbraw/zinc/31/84/87/564318487.db2.gz UQCSHLCRYJHNFZ-DJIMGWMZSA-N 1 0 386.330 2.918 20 0 GFADRO CC[NH+]1CCN(CCC(=O)N2CCc3c(Br)cccc3[C@H]2C)CC1 ZINC000509984740 564320928 /nfs/dbraw/zinc/32/09/28/564320928.db2.gz UEVKZGAYEBGHPY-OAHLLOKOSA-N 1 0 394.357 2.922 20 0 GFADRO C[C@@H](C[NH2+][C@H](Cc1ccccc1)C(N)=O)Oc1ccccc1Br ZINC000542730442 564322538 /nfs/dbraw/zinc/32/25/38/564322538.db2.gz XMZAPLIMFOWXNN-XJKSGUPXSA-N 1 0 377.282 2.903 20 0 GFADRO CN1CCO[C@@H]2CCN(C(=O)c3cc4c(Br)cccc4cn3)C[C@@H]21 ZINC000451531046 564322759 /nfs/dbraw/zinc/32/27/59/564322759.db2.gz RGCCOQYEFZGXGT-DLBZAZTESA-N 1 0 390.281 2.542 20 0 GFADRO Cc1c(Br)c2ccccc2n1CC(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000566405831 564325477 /nfs/dbraw/zinc/32/54/77/564325477.db2.gz CUDNLRFELAJTPJ-CYBMUJFWSA-N 1 0 386.240 2.826 20 0 GFADRO CS[C@@H]1CN(C(=O)CSc2nc3ccccc3o2)C[C@H]1[NH+]1CCCC1 ZINC000542772715 564326033 /nfs/dbraw/zinc/32/60/33/564326033.db2.gz BQZQKHLGZZVQMA-GDBMZVCRSA-N 1 0 377.535 2.958 20 0 GFADRO OC[C@H]([C@@H]([NH2+]Cc1nnc(-c2ccc(Br)o2)o1)C1CC1)C1CC1 ZINC000451584565 564328694 /nfs/dbraw/zinc/32/86/94/564328694.db2.gz BJJUVHHUSYPWKO-NHYWBVRUSA-N 1 0 382.258 2.979 20 0 GFADRO CC(C)[C@@H](CO)[C@@H]([NH2+]Cc1nnnn1-c1ccccc1Br)C(C)C ZINC000451613992 564331391 /nfs/dbraw/zinc/33/13/91/564331391.db2.gz ODGCEVXITKLRSR-DYVFJYSZSA-N 1 0 396.333 2.804 20 0 GFADRO CCn1c(SCC(=O)N[C@@H](C)C[N@H+](C)C(C)C)nnc1-c1cccs1 ZINC000566593600 564333408 /nfs/dbraw/zinc/33/34/08/564333408.db2.gz GHFOICVIWLCGIN-ZDUSSCGKSA-N 1 0 381.571 2.964 20 0 GFADRO C[C@H]([NH2+]C[C@]1(N2CCOCC2)CCSC1)c1cncc(Br)c1 ZINC000566631000 564335195 /nfs/dbraw/zinc/33/51/95/564335195.db2.gz IBBZOEKMSHLMLQ-XJKSGUPXSA-N 1 0 386.359 2.703 20 0 GFADRO CN(CC[NH2+]Cc1cc(Cl)cc2c1OCC2)S(=O)(=O)c1cccs1 ZINC000543062216 564336403 /nfs/dbraw/zinc/33/64/03/564336403.db2.gz FKPWGEPVQVGONI-UHFFFAOYSA-N 1 0 386.926 2.747 20 0 GFADRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1S(=O)(=O)N(C)Cc1c(F)cccc1Cl ZINC000510518830 564336657 /nfs/dbraw/zinc/33/66/57/564336657.db2.gz QTWPRTNJVBQUOG-ZIAGYGMSSA-N 1 0 389.924 2.714 20 0 GFADRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1S(=O)(=O)c1ccc(OC(F)F)c(F)c1 ZINC000510517206 564336775 /nfs/dbraw/zinc/33/67/75/564336775.db2.gz HAAVSXVPOWWBLM-NWDGAFQWSA-N 1 0 378.416 2.674 20 0 GFADRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1S(=O)(=O)c1ccc(F)cc1Br ZINC000510504335 564336810 /nfs/dbraw/zinc/33/68/10/564336810.db2.gz YAQKFWZEEHSZNI-WCQYABFASA-N 1 0 391.306 2.836 20 0 GFADRO C[C@@H](C[NH+]1CCCCCC1)NC(=O)c1cc(Br)cnc1N(C)C ZINC000476390600 564337105 /nfs/dbraw/zinc/33/71/05/564337105.db2.gz OEOCHCBGVAJETC-ZDUSSCGKSA-N 1 0 383.334 2.904 20 0 GFADRO O=C1C[C@H]([NH2+]C[C@@H](O)COCc2cccs2)CN1c1ccccc1Cl ZINC000566673533 564338136 /nfs/dbraw/zinc/33/81/36/564338136.db2.gz PPFDVKHEEDDOHV-UONOGXRCSA-N 1 0 380.897 2.674 20 0 GFADRO C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)nc1)c1ccc(Br)cn1 ZINC000566713476 564339379 /nfs/dbraw/zinc/33/93/79/564339379.db2.gz FHOKCAMJTGXJLJ-CYBMUJFWSA-N 1 0 377.286 2.927 20 0 GFADRO Cc1cc(N2C[C@@H](C(=O)NC(C)(C)CCC[NH3+])CC2=O)ccc1Br ZINC000566909741 564348745 /nfs/dbraw/zinc/34/87/45/564348745.db2.gz SETKWQOHKRSURV-ZDUSSCGKSA-N 1 0 396.329 2.744 20 0 GFADRO Cc1ncc(C[NH2+][C@@H](C)CC(=O)Nc2ccc(Br)cc2)c(=O)[nH]1 ZINC000543414191 564349811 /nfs/dbraw/zinc/34/98/11/564349811.db2.gz PLJAQYKGVZQRGJ-JTQLQIEISA-N 1 0 379.258 2.760 20 0 GFADRO CS(=O)(=O)c1ccc(F)c(NC(=O)C[NH2+][C@H](c2cccs2)C2CC2)c1 ZINC000543440374 564351408 /nfs/dbraw/zinc/35/14/08/564351408.db2.gz ZOWKVLJRTIIIGG-KRWDZBQOSA-N 1 0 382.482 2.970 20 0 GFADRO CC(C)C[C@@H]([NH2+]CC(=O)Nc1cccc(S(N)(=O)=O)c1)c1cccs1 ZINC000543485635 564352403 /nfs/dbraw/zinc/35/24/03/564352403.db2.gz FZNACNUIDFHQJO-OAHLLOKOSA-N 1 0 381.523 2.711 20 0 GFADRO C[C@H]1CN(C2CC2)C[C@@H]1[NH2+]CCOc1ccc(I)cc1 ZINC000511042069 564354600 /nfs/dbraw/zinc/35/46/00/564354600.db2.gz AQIOMVIKKZHMRY-LRDDRELGSA-N 1 0 386.277 2.742 20 0 GFADRO CN(CCC[NH+]1CCCC1)S(=O)(=O)c1ccc(F)c(Br)c1 ZINC000543619612 564356459 /nfs/dbraw/zinc/35/64/59/564356459.db2.gz GAYGNYHDEUNPMD-UHFFFAOYSA-N 1 0 379.295 2.695 20 0 GFADRO Cc1cc(CN2CCC[C@@H](CN(C)S(C)(=O)=O)C2)ccc1Br ZINC000511125262 564358647 /nfs/dbraw/zinc/35/86/47/564358647.db2.gz VFELXKCVKRFIGN-HNNXBMFYSA-N 1 0 389.359 2.861 20 0 GFADRO O=S1(=O)CCC(O)(CN(Cc2ccc(F)cc2Cl)CC2CC2)CC1 ZINC000511123120 564358881 /nfs/dbraw/zinc/35/88/81/564358881.db2.gz PHZYGUSJJMFFNO-UHFFFAOYSA-N 1 0 375.893 2.631 20 0 GFADRO CN(C)S(=O)(=O)[C@@H]1CCCN(CCOc2c(Cl)cccc2Cl)C1 ZINC000511137000 564359656 /nfs/dbraw/zinc/35/96/56/564359656.db2.gz CFZZBXMNRVTOEB-GFCCVEGCSA-N 1 0 381.325 2.728 20 0 GFADRO CO[C@H]1C[C@H]2C[C@@H]([NH2+]C[C@@H]3CCN(S(=O)(=O)c4cccs4)C3)C[C@H]2C1 ZINC000567159767 564360496 /nfs/dbraw/zinc/36/04/96/564360496.db2.gz KSOVQTQPUXEEGE-ZOFXXKQRSA-N 1 0 384.567 2.552 20 0 GFADRO COC1CC[NH+](C(C)(C)CNC(=O)C(=O)c2ccc(Br)cc2)CC1 ZINC000511164566 564360745 /nfs/dbraw/zinc/36/07/45/564360745.db2.gz IPLIAQMHJQUCBH-UHFFFAOYSA-N 1 0 397.313 2.637 20 0 GFADRO C[C@@H]1CN(CC(F)(F)F)CC[N@H+](C[C@H](O)COc2ccccc2Cl)C1 ZINC000451869950 564361238 /nfs/dbraw/zinc/36/12/38/564361238.db2.gz HCPOLJGJCGVLAI-KBPBESRZSA-N 1 0 380.838 2.896 20 0 GFADRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N(C)Cc1ccc(Br)cc1C ZINC000477005814 564361821 /nfs/dbraw/zinc/36/18/21/564361821.db2.gz KNVOQDDJCNDNQL-CQSZACIVSA-N 1 0 398.345 2.562 20 0 GFADRO CC[N@H+](CCNS(=O)(=O)c1cc(Br)ccc1Cl)C1CC1 ZINC000477002206 564362095 /nfs/dbraw/zinc/36/20/95/564362095.db2.gz FQAGFIHCHWOLNQ-UHFFFAOYSA-N 1 0 381.723 2.865 20 0 GFADRO CCn1cc([C@@H](C)[NH2+]C[C@@H](O)COc2cc(F)cc(Br)c2)cn1 ZINC000451885686 564362322 /nfs/dbraw/zinc/36/23/22/564362322.db2.gz BBJDQANIATYINT-IAQYHMDHSA-N 1 0 386.265 2.895 20 0 GFADRO CCN(CC[NH+]1CCCCCC1)C(=O)NCCn1cc(Br)cn1 ZINC000511233680 564362943 /nfs/dbraw/zinc/36/29/43/564362943.db2.gz UXUNOOFWCUDWPJ-UHFFFAOYSA-N 1 0 386.338 2.553 20 0 GFADRO COCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](Cc2ccc(Br)cc2OC)C1 ZINC000543780492 564363175 /nfs/dbraw/zinc/36/31/75/564363175.db2.gz BHJXRWOTSQEKLT-DZGCQCFKSA-N 1 0 399.329 2.821 20 0 GFADRO O[C@H](COc1cc(F)cc(Br)c1)C[N@@H+]1CCC[C@]2(CCOC2)C1 ZINC000451906112 564364450 /nfs/dbraw/zinc/36/44/50/564364450.db2.gz DZOSYCITPVLBLW-RDJZCZTQSA-N 1 0 388.277 2.830 20 0 GFADRO COc1ccc(S(=O)(=O)N2C[C@@H]([NH+]3CCCC3)[C@@H](SC)C2)c(C)c1C ZINC000477132839 564366510 /nfs/dbraw/zinc/36/65/10/564366510.db2.gz DRIQRAHTJOEFLM-WBVHZDCISA-N 1 0 384.567 2.512 20 0 GFADRO CC[C@H]([NH3+])CNC(=O)c1nn(-c2cccc(Br)c2)c2c1CCC2 ZINC000567351376 564368071 /nfs/dbraw/zinc/36/80/71/564368071.db2.gz KRBFYFBCDFZIGN-LBPRGKRZSA-N 1 0 377.286 2.591 20 0 GFADRO O[C@@H](COc1ccc(Cl)cc1Br)C[N@@H+]1CCOCC2(CC2)C1 ZINC000543915061 564368483 /nfs/dbraw/zinc/36/84/83/564368483.db2.gz MKOIIGPEYUMOEN-CYBMUJFWSA-N 1 0 390.705 2.955 20 0 GFADRO C[N@H+](Cc1ccccc1)[C@@H](CNC(=O)Cn1cc(Br)cn1)C1CC1 ZINC000477234738 564369885 /nfs/dbraw/zinc/36/98/85/564369885.db2.gz RYPVDKBAANCUSQ-KRWDZBQOSA-N 1 0 391.313 2.672 20 0 GFADRO CCC[N@@H+]1CCC[C@H]1CNC(=O)c1cccnc1-n1cc(Br)cn1 ZINC000451940709 564370235 /nfs/dbraw/zinc/37/02/35/564370235.db2.gz VGMXNQGRQMBGKI-AWEZNQCLSA-N 1 0 392.301 2.634 20 0 GFADRO CN(C)CC[N@H+](C)CCCN(C)C(=O)[C@@H]1CCc2cc(Br)ccc21 ZINC000567391225 564370195 /nfs/dbraw/zinc/37/01/95/564370195.db2.gz WVCNEYCYTXQJNM-GOSISDBHSA-N 1 0 396.373 2.821 20 0 GFADRO CN(C)c1nccc(C[NH2+][C@H]2CCN(c3ccccc3Br)C2)n1 ZINC000543993155 564370443 /nfs/dbraw/zinc/37/04/43/564370443.db2.gz LBJVCXUMQIZWNG-AWEZNQCLSA-N 1 0 376.302 2.674 20 0 GFADRO C[C@H](CC[NH3+])NC(=O)c1cccn1-c1ccc(I)cc1 ZINC000477337542 564374242 /nfs/dbraw/zinc/37/42/42/564374242.db2.gz HGVDHMIMMHIGSY-LLVKDONJSA-N 1 0 383.233 2.549 20 0 GFADRO CCc1cnc(CNCC(=O)N2CCN(c3cccc(Cl)c3)CC2)s1 ZINC000544111931 564375588 /nfs/dbraw/zinc/37/55/88/564375588.db2.gz IROSWHNHTDXZCF-UHFFFAOYSA-N 1 0 378.929 2.797 20 0 GFADRO C[NH+]1CCC(CCNS(=O)(=O)c2cccc(Br)c2F)CC1 ZINC000544187594 564377808 /nfs/dbraw/zinc/37/78/08/564377808.db2.gz YLHUBIGWJSVFJK-UHFFFAOYSA-N 1 0 379.295 2.598 20 0 GFADRO C[C@@H]1C[C@@H]([NH2+]CC(=O)Nc2ccc(I)cc2)C[C@H](C)O1 ZINC000567681023 564382027 /nfs/dbraw/zinc/38/20/27/564382027.db2.gz BENVTEWMHOMXGO-GNXNZQSNSA-N 1 0 388.249 2.775 20 0 GFADRO CN(C(=O)c1cccn1-c1cccc(I)c1)[C@H]1CC[NH2+]C1 ZINC000567669387 564382506 /nfs/dbraw/zinc/38/25/06/564382506.db2.gz FTUPGUYCFWZTLZ-AWEZNQCLSA-N 1 0 395.244 2.516 20 0 GFADRO CCOC(=O)CC[C@H](O)C[NH2+][C@H](C)Cc1cc(Br)ccc1F ZINC000567685640 564383410 /nfs/dbraw/zinc/38/34/10/564383410.db2.gz HHLWGGYRSWMAGP-RISCZKNCSA-N 1 0 376.266 2.813 20 0 GFADRO O=S1(=O)CCC(O)(C[NH2+]CC2(c3cccc(Cl)c3F)CCCC2)CC1 ZINC000567700661 564384385 /nfs/dbraw/zinc/38/43/85/564384385.db2.gz ODTOCTMCHUPYBQ-UHFFFAOYSA-N 1 0 389.920 2.820 20 0 GFADRO COC[C@H]1CCCC[N@@H+]1C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000452038586 564385575 /nfs/dbraw/zinc/38/55/75/564385575.db2.gz MXOHLGLTMRJURD-HUUCEWRRSA-N 1 0 376.266 2.829 20 0 GFADRO Cc1nccn1CCCN(C)C(=O)[C@@](C)([NH3+])c1ccc(Br)cc1 ZINC000567731423 564386326 /nfs/dbraw/zinc/38/63/26/564386326.db2.gz VTESVORMQLLFCC-KRWDZBQOSA-N 1 0 379.302 2.677 20 0 GFADRO CC(=O)Nc1cc(F)c(S(=O)(=O)NCc2cnc(C)cc2C)cc1Cl ZINC000452051400 564386787 /nfs/dbraw/zinc/38/67/87/564386787.db2.gz YUWLDNXHGVLGNS-UHFFFAOYSA-N 1 0 385.848 2.928 20 0 GFADRO O=S(=O)(NCC[NH2+][C@H](c1cccs1)C1(CO)CCC1)c1ccccc1 ZINC000452062320 564387378 /nfs/dbraw/zinc/38/73/78/564387378.db2.gz RXCQRIAQQVIDKB-QGZVFWFLSA-N 1 0 380.535 2.520 20 0 GFADRO O=C(CC[C@H]1CC[NH2+]C1)Nc1cc(-c2cc(F)cc(Br)c2)[nH]n1 ZINC000567764272 564387533 /nfs/dbraw/zinc/38/75/33/564387533.db2.gz SPGICBJEMHVOSK-JTQLQIEISA-N 1 0 381.249 3.307 20 0 GFADRO CCOCCOC[C@@H](O)C[NH2+][C@@H]1CCCOc2ccc(Br)cc21 ZINC000477937568 564391055 /nfs/dbraw/zinc/39/10/55/564391055.db2.gz ZXYZTSJWTZVFAW-GOEBONIOSA-N 1 0 388.302 2.666 20 0 GFADRO [NH3+][C@@H](C(=O)N[C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1)C1CCC1 ZINC000567817864 564391117 /nfs/dbraw/zinc/39/11/17/564391117.db2.gz DMUMTEWZQOPJSB-DGCLKSJQSA-N 1 0 376.810 2.576 20 0 GFADRO CC(C)[N@@H+]1CC[C@@H](N(C)S(=O)(=O)Cc2ccc(Br)cc2)C1 ZINC000452105920 564392693 /nfs/dbraw/zinc/39/26/93/564392693.db2.gz PGUQJXYEANACDX-OAHLLOKOSA-N 1 0 375.332 2.693 20 0 GFADRO CC(C)[N@@H+]1CC[C@H](N(C)S(=O)(=O)Cc2cccc(Br)c2)C1 ZINC000452105915 564392979 /nfs/dbraw/zinc/39/29/79/564392979.db2.gz PGRHTOICUZCDIA-HNNXBMFYSA-N 1 0 375.332 2.693 20 0 GFADRO C[C@@H]1CSC[C@@H]1[NH2+]CC(=O)NC[C@H](c1ccccc1Cl)N1CCCC1 ZINC000512151434 564393451 /nfs/dbraw/zinc/39/34/51/564393451.db2.gz YLZUNDGBAUEXTB-FHLIZLRMSA-N 1 0 381.973 2.934 20 0 GFADRO CC(C)(CNc1ccc(S(N)(=O)=O)cc1C(F)(F)F)C[NH+]1CCCC1 ZINC000478041002 564393964 /nfs/dbraw/zinc/39/39/64/564393964.db2.gz OLGGBGLSENAUNZ-UHFFFAOYSA-N 1 0 379.448 2.887 20 0 GFADRO C[C@H]1CSC[C@@H]1[NH2+]CC(=O)N(C)CCOc1ccc(Br)cc1 ZINC000512162876 564394041 /nfs/dbraw/zinc/39/40/41/564394041.db2.gz DMHHEZVYYHXSHW-WFASDCNBSA-N 1 0 387.343 2.627 20 0 GFADRO CC(C)[C@@H](O)C1(C[NH2+]CCS(=O)(=O)c2cccc(Br)c2)CC1 ZINC000567873188 564393991 /nfs/dbraw/zinc/39/39/91/564393991.db2.gz PKZZRVWHTFVISO-OAHLLOKOSA-N 1 0 390.343 2.610 20 0 GFADRO FC(F)[C@@H]1C[NH2+]CCN1Cc1nc(-c2ccc(Br)s2)no1 ZINC000567889741 564394874 /nfs/dbraw/zinc/39/48/74/564394874.db2.gz PTAZVEVQFMSFCO-ZETCQYMHSA-N 1 0 379.230 2.600 20 0 GFADRO CCCC[N@H+](C)C[C@@H](C)NC(=O)c1cccnc1-n1cc(Br)cn1 ZINC000452141803 564395962 /nfs/dbraw/zinc/39/59/62/564395962.db2.gz UNYYJHMZNXVZCS-CYBMUJFWSA-N 1 0 394.317 2.880 20 0 GFADRO O=C(NCC[NH+]1CCCC1)[C@H](c1cc(Cl)cc(Cl)c1)N1CCOCC1 ZINC000512290881 564396702 /nfs/dbraw/zinc/39/67/02/564396702.db2.gz ZKLHCHNJVVSVLN-KRWDZBQOSA-N 1 0 386.323 2.579 20 0 GFADRO CCO[C@@H](CC[NH+](C)C)CNC(=O)[C@H]1CCc2cc(Br)ccc21 ZINC000567941319 564396830 /nfs/dbraw/zinc/39/68/30/564396830.db2.gz QVZGFXWTHDATMD-RDJZCZTQSA-N 1 0 383.330 2.952 20 0 GFADRO C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]C[C@H]1CCCCS1(=O)=O ZINC000567962732 564397956 /nfs/dbraw/zinc/39/79/56/564397956.db2.gz XUJYFBPPDQJXMU-WMLDXEAASA-N 1 0 386.945 2.634 20 0 GFADRO C[C@H]1CN(C(=O)Cc2ccc(I)cc2)CC[N@@H+](C2CC2)C1 ZINC000452173492 564398164 /nfs/dbraw/zinc/39/81/64/564398164.db2.gz MVBVDAFBYGKFHR-CYBMUJFWSA-N 1 0 398.288 2.776 20 0 GFADRO O=C(N[C@@H](CO)C[NH+]1CCCCC1)c1cc2cc(Br)ccc2[nH]1 ZINC000512375264 564399416 /nfs/dbraw/zinc/39/94/16/564399416.db2.gz OWKZPGORIXEEII-CQSZACIVSA-N 1 0 380.286 2.507 20 0 GFADRO O=C(NC[C@@H]1CCC[N@H+]1CCCO)c1cc(Br)cc2cccnc21 ZINC000452359907 564409020 /nfs/dbraw/zinc/40/90/20/564409020.db2.gz HXGRAMRJJZBKRM-HNNXBMFYSA-N 1 0 392.297 2.574 20 0 GFADRO Cc1oc(-c2ccc(Cl)c(Cl)c2)nc1C(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000545156919 564410027 /nfs/dbraw/zinc/41/00/27/564410027.db2.gz NCNVMGRUUDTKFC-KRWDZBQOSA-N 1 0 384.263 2.753 20 0 GFADRO CCn1c(SC[C@H](O)C[N@H+](C)CCOC)nnc1-c1ccc(Cl)cc1 ZINC000568247277 564411232 /nfs/dbraw/zinc/41/12/32/564411232.db2.gz HPJQRHACOIDSFP-OAHLLOKOSA-N 1 0 384.933 2.650 20 0 GFADRO Cc1cc(CCC(=O)NC[C@H]2CCCC[N@@H+]2CCO)ccc1Br ZINC000452385868 564411298 /nfs/dbraw/zinc/41/12/98/564411298.db2.gz DTMIKBMIYZNVLZ-MRXNPFEDSA-N 1 0 383.330 2.653 20 0 GFADRO CCc1sc(C(=O)N[C@@H]2CCC[N@H+](CCCO)C2)cc1Br ZINC000452386681 564412022 /nfs/dbraw/zinc/41/20/22/564412022.db2.gz NSUUZUWCLOCFKS-LLVKDONJSA-N 1 0 375.332 2.650 20 0 GFADRO [NH3+]Cc1cn([C@H]2CCCN(C(=O)NCc3cccc(Cl)c3Cl)C2)nn1 ZINC000568287243 564413188 /nfs/dbraw/zinc/41/31/88/564413188.db2.gz XTBIMXXQADQSTR-ZDUSSCGKSA-N 1 0 383.283 2.590 20 0 GFADRO CN(C)S(=O)(=O)N1CCCC[C@@H]1C[NH2+]Cc1csc(Cl)c1Cl ZINC000568320920 564414220 /nfs/dbraw/zinc/41/42/20/564414220.db2.gz REKAKQBLQZKJQG-LLVKDONJSA-N 1 0 386.370 2.805 20 0 GFADRO CS(=O)(=O)N[C@H]1CCCC[C@@H]1C[NH2+]Cc1ccccc1Br ZINC000512869880 564414659 /nfs/dbraw/zinc/41/46/59/564414659.db2.gz YWDZDUVVQBLEMV-HIFRSBDPSA-N 1 0 375.332 2.647 20 0 GFADRO CO[C@@H]1CCN(C(=O)c2ccn(-c3ccc(Cl)cc3Cl)n2)[C@H](C[NH3+])C1 ZINC000568383212 564416626 /nfs/dbraw/zinc/41/66/26/564416626.db2.gz QKXYNHCSRQCMMU-QWHCGFSZSA-N 1 0 383.279 2.757 20 0 GFADRO COc1ccc(Br)cc1C[NH2+]C[C@@H](N1CCOCC1)C(F)(F)F ZINC000512972421 564417062 /nfs/dbraw/zinc/41/70/62/564417062.db2.gz SJFBBZBYBFNGBK-CQSZACIVSA-N 1 0 397.235 2.810 20 0 GFADRO Cc1cc(Cl)ccc1S(=O)(=O)NCC[NH2+]Cc1cccc2c[nH]nc21 ZINC000513015799 564417629 /nfs/dbraw/zinc/41/76/29/564417629.db2.gz AHVGOYZRVXNOPQ-UHFFFAOYSA-N 1 0 378.885 2.593 20 0 GFADRO CC[NH+](CC)CCOCCNC(=O)N(C)Cc1ccc(Br)cc1 ZINC000545336518 564417619 /nfs/dbraw/zinc/41/76/19/564417619.db2.gz WRHJKHPIXGXDPN-UHFFFAOYSA-N 1 0 386.334 2.949 20 0 GFADRO CS[C@@H]1CN(C(=O)COc2cccc(Br)c2)C[C@@H]1[NH+]1CCCC1 ZINC000545332576 564417734 /nfs/dbraw/zinc/41/77/34/564417734.db2.gz WAOQUMJBEGNEEL-JKSUJKDBSA-N 1 0 399.354 2.866 20 0 GFADRO Cc1ccc(Br)c(S(=O)(=O)NCC[NH2+][C@H]2CC[C@@H](C)C2)c1 ZINC000513050370 564418752 /nfs/dbraw/zinc/41/87/52/564418752.db2.gz FUKKEZYHOPDALY-YPMHNXCESA-N 1 0 375.332 2.814 20 0 GFADRO O=S(=O)(C1CC1)N1CCC[C@@H]([NH2+]Cc2ccc(F)c(Br)c2)C1 ZINC000513095935 564420194 /nfs/dbraw/zinc/42/01/94/564420194.db2.gz RJZQMFJRZVPTBM-GFCCVEGCSA-N 1 0 391.306 2.634 20 0 GFADRO C[C@@H]1C[NH2+]C[C@H]1C(=O)Nc1nnc(-c2cc(Br)ccc2F)s1 ZINC000568472927 564420322 /nfs/dbraw/zinc/42/03/22/564420322.db2.gz XAXDFXWSLWCTOH-GMSGAONNSA-N 1 0 385.262 2.901 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000478970223 564420488 /nfs/dbraw/zinc/42/04/88/564420488.db2.gz ZBWUKMFYEBOLMR-AWEZNQCLSA-N 1 0 382.302 2.503 20 0 GFADRO C[NH+](C)C1(CNS(=O)(=O)c2ccc(Br)o2)CCCCCC1 ZINC000545385005 564420485 /nfs/dbraw/zinc/42/04/85/564420485.db2.gz SOZGIXLQTSQYGH-UHFFFAOYSA-N 1 0 379.320 2.975 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)C(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000478968229 564420954 /nfs/dbraw/zinc/42/09/54/564420954.db2.gz XNEPWYNRPLJYBS-FZMZJTMJSA-N 1 0 394.313 2.691 20 0 GFADRO O[C@@H](C[NH2+][C@H]1CCN(c2ccc(Cl)cc2Cl)C1)COC1CCOCC1 ZINC000568501897 564421222 /nfs/dbraw/zinc/42/12/22/564421222.db2.gz HSVKVNVPGXMQHM-GJZGRUSLSA-N 1 0 389.323 2.718 20 0 GFADRO C[C@@H](C[NH2+]C[C@H](O)COc1ccc(Cl)cc1Br)C[C@H](C)O ZINC000568512459 564422364 /nfs/dbraw/zinc/42/23/64/564422364.db2.gz QXPUDZAFXKHRCP-MDZLAQPJSA-N 1 0 380.710 2.839 20 0 GFADRO Cc1ccc(-c2nc(NC(=O)C(=O)NCC3([NH+](C)C)CC3)sc2C)s1 ZINC000568520994 564423232 /nfs/dbraw/zinc/42/32/32/564423232.db2.gz CAQMKKBSUAXWDS-UHFFFAOYSA-N 1 0 378.523 2.637 20 0 GFADRO O=S(=O)(NC1CC[NH+](CC2Cc3ccccc3C2)CC1)c1cccs1 ZINC000568574310 564424795 /nfs/dbraw/zinc/42/47/95/564424795.db2.gz DLMJURIZGMJRBW-UHFFFAOYSA-N 1 0 376.547 2.906 20 0 GFADRO [NH3+]C[C@H](C(=O)N1CCC(n2cc(Br)cn2)CC1)c1ccc(F)cc1 ZINC000479138655 564427107 /nfs/dbraw/zinc/42/71/07/564427107.db2.gz YDVGTNLSJHLWCI-INIZCTEOSA-N 1 0 395.276 2.691 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000568627033 564428058 /nfs/dbraw/zinc/42/80/58/564428058.db2.gz UYZYYMBKCVEZET-ZBEGNZNMSA-N 1 0 377.286 2.671 20 0 GFADRO Nc1nccc([C@H]2CCC[N@H+](CCOc3cccc(Br)c3)C2)n1 ZINC000568652610 564428740 /nfs/dbraw/zinc/42/87/40/564428740.db2.gz NHSNYMAPMQBNHK-ZDUSSCGKSA-N 1 0 377.286 3.080 20 0 GFADRO C[C@@H]1CN(Cc2cc(Br)cc(Br)c2)CC[N@@H+]1CCO ZINC000568682139 564429583 /nfs/dbraw/zinc/42/95/83/564429583.db2.gz OSXQEJOZVWOGGO-LLVKDONJSA-N 1 0 392.135 2.710 20 0 GFADRO CN(C(=O)c1cc(Br)cnc1OCC1CC1)[C@@H]1CCC[N@H+](C)C1 ZINC000513478048 564430376 /nfs/dbraw/zinc/43/03/76/564430376.db2.gz BEZFSGOLCDKSOC-CQSZACIVSA-N 1 0 382.302 2.799 20 0 GFADRO CC(=O)N1CCC[N@H+](C[C@H]2CCCN(C(=O)c3ccc(Cl)s3)C2)CC1 ZINC000452808707 564432215 /nfs/dbraw/zinc/43/22/15/564432215.db2.gz DLJBCSFWCNDGPI-OAHLLOKOSA-N 1 0 383.945 2.808 20 0 GFADRO CC[C@@H](NC(=O)NC[C@@H]1C[NH2+]CCCO1)c1cc(F)cc(Br)c1 ZINC000568731020 564432357 /nfs/dbraw/zinc/43/23/57/564432357.db2.gz GSSFDKWTDWRTOC-LSDHHAIUSA-N 1 0 388.281 2.717 20 0 GFADRO O=C(CCOc1ccc(Cl)c(Cl)c1)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000452803791 564432310 /nfs/dbraw/zinc/43/23/10/564432310.db2.gz YFBRUVXWHBRYSJ-CYBMUJFWSA-N 1 0 375.296 2.725 20 0 GFADRO CCn1c2cc(Br)ccc2nc1NC(=O)COC1CC[NH2+]CC1 ZINC000568746682 564433300 /nfs/dbraw/zinc/43/33/00/564433300.db2.gz UCJIDLHAMHXRFO-UHFFFAOYSA-N 1 0 381.274 2.526 20 0 GFADRO CCc1ncc(S(=O)(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)s1 ZINC000545891078 564435948 /nfs/dbraw/zinc/43/59/48/564435948.db2.gz ARZZEKMQQBSOHF-CYBMUJFWSA-N 1 0 385.580 2.958 20 0 GFADRO [NH3+]C[C@@H]1CCCC[C@@]12NC(=O)N(CCOc1cc(Cl)cc(Cl)c1)C2=O ZINC000568863196 564438036 /nfs/dbraw/zinc/43/80/36/564438036.db2.gz KEPQIWZIYKKVBH-APPDUMDISA-N 1 0 386.279 2.812 20 0 GFADRO Cn1cc2c(n1)CCC[C@@H]2[NH2+]CCNC(=O)c1cccc(Br)c1 ZINC000479403149 564439158 /nfs/dbraw/zinc/43/91/58/564439158.db2.gz YFXVGNFXYYLXSH-HNNXBMFYSA-N 1 0 377.286 2.580 20 0 GFADRO C[C@H](Cn1cc(Br)cn1)Nc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000546005488 564439843 /nfs/dbraw/zinc/43/98/43/564439843.db2.gz RZPCKLYZEBCNTD-OAHLLOKOSA-N 1 0 392.345 2.894 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[C@@]34CCc3cc(Br)ccc34)C[C@@H]21 ZINC000453014678 564442657 /nfs/dbraw/zinc/44/26/57/564442657.db2.gz UQWMZGNNKHQYJD-UEILYKACSA-N 1 0 375.310 2.816 20 0 GFADRO C[C@H]1[NH2+]CCN(S(=O)(=O)Cc2ccc(Cl)cc2Br)[C@@H]1C ZINC000568983728 564443252 /nfs/dbraw/zinc/44/32/52/564443252.db2.gz MYRSDNYATOCNIB-NXEZZACHSA-N 1 0 381.723 2.615 20 0 GFADRO CO[C@@H]1CCN(CC(=O)Nc2ccc(Cl)cc2C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000569003130 564444306 /nfs/dbraw/zinc/44/43/06/564444306.db2.gz IZRZNDGZFJCBGH-VXGBXAGGSA-N 1 0 379.810 2.735 20 0 GFADRO COc1c(Cl)cc(Cl)cc1C[NH2+]CCN1C(=O)NC2(CCCC2)C1=O ZINC000479575048 564444369 /nfs/dbraw/zinc/44/43/69/564444369.db2.gz CBDIYVWEHZHGSU-UHFFFAOYSA-N 1 0 386.279 2.956 20 0 GFADRO C[C@@]1(CO)CCC[N@@H+]1C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000546104601 564444894 /nfs/dbraw/zinc/44/48/94/564444894.db2.gz MAHZQHYBQVQASB-DOMZBBRYSA-N 1 0 378.694 2.689 20 0 GFADRO Brc1csc2cnc(N3CC[NH+](C4CCOCC4)CC3)nc12 ZINC000569018519 564445307 /nfs/dbraw/zinc/44/53/07/564445307.db2.gz AFZIZVDFYJYYOH-UHFFFAOYSA-N 1 0 383.315 2.755 20 0 GFADRO CCN(CCC[NH2+][C@@H](Cc1ccccc1Cl)[C@@H]1CCCO1)S(C)(=O)=O ZINC000453061588 564445478 /nfs/dbraw/zinc/44/54/78/564445478.db2.gz DFCGUSCSLDDGRF-ROUUACIJSA-N 1 0 388.961 2.691 20 0 GFADRO COC(=O)[C@H](Sc1nnnn1CC[NH+](C)C)c1cccc(Cl)c1Cl ZINC000514104305 564445957 /nfs/dbraw/zinc/44/59/57/564445957.db2.gz JEBKEYAHXUGZOM-GFCCVEGCSA-N 1 0 390.296 2.548 20 0 GFADRO CN1CCN(C(=O)CC[N@@H+]2CC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)CC1 ZINC000514119035 564446071 /nfs/dbraw/zinc/44/60/71/564446071.db2.gz QEZKTELDWAMLTQ-OAHLLOKOSA-N 1 0 386.323 2.611 20 0 GFADRO CCN(CC)S(=O)(=O)CC[NH2+][C@@H](Cc1ccccc1Cl)[C@@H]1CCCO1 ZINC000453100515 564446752 /nfs/dbraw/zinc/44/67/52/564446752.db2.gz MHPKBZGZHAJFIA-ROUUACIJSA-N 1 0 388.961 2.691 20 0 GFADRO O=C(N[C@@H]1C[NH2+]C[C@H]1c1ccccc1)[C@@H]1COc2ccc(Br)cc21 ZINC000569110856 564449543 /nfs/dbraw/zinc/44/95/43/564449543.db2.gz RXSUOGIJFJHIMZ-GVDBMIGSSA-N 1 0 387.277 2.797 20 0 GFADRO C[C@H]([NH2+]C[C@@H](CO)[C@H]1CCOC1)c1ccc(F)c(I)c1 ZINC000453207833 564450157 /nfs/dbraw/zinc/45/01/57/564450157.db2.gz BMMSVSGPXJYCGA-DRZSPHRISA-N 1 0 393.240 2.726 20 0 GFADRO O=C(CCNC(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1)Nc1cc(Cl)cc(Cl)c1 ZINC000514591511 564450418 /nfs/dbraw/zinc/45/04/18/564450418.db2.gz GDCAREOJRVNNFJ-NHYWBVRUSA-N 1 0 385.295 2.715 20 0 GFADRO CC[C@H](Cc1ccccc1Br)N(C)C(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000479778353 564450377 /nfs/dbraw/zinc/45/03/77/564450377.db2.gz WYLGHGUILUUEIC-SJLPKXTDSA-N 1 0 394.357 2.619 20 0 GFADRO CC[C@H](CNS(C)(=O)=O)[NH2+][C@@H]1CCCc2c(Br)cccc21 ZINC000453285023 564451848 /nfs/dbraw/zinc/45/18/48/564451848.db2.gz NXPDRAVBVXGTSK-IAQYHMDHSA-N 1 0 375.332 2.744 20 0 GFADRO CC[C@H](CNS(C)(=O)=O)[NH2+][C@H]1CCCOc2c(Br)cccc21 ZINC000453288285 564452092 /nfs/dbraw/zinc/45/20/92/564452092.db2.gz QXROGDBJAHYBCJ-RISCZKNCSA-N 1 0 391.331 2.580 20 0 GFADRO C[C@@H]([NH2+]C1CCN(C(=O)C2CC2)CC1)C(=O)Nc1cccc(Br)c1 ZINC000514707599 564454377 /nfs/dbraw/zinc/45/43/77/564454377.db2.gz RNYJPZXFFBWOCN-GFCCVEGCSA-N 1 0 394.313 2.767 20 0 GFADRO O[C@@H]1COC[C@H]1[NH2+][C@H]1CCCc2c(Br)cc(Br)cc21 ZINC000453360947 564455035 /nfs/dbraw/zinc/45/50/35/564455035.db2.gz UDCSKNIYMLDWNS-BFHYXJOUSA-N 1 0 391.103 2.938 20 0 GFADRO CC[C@@H](Cn1cncn1)[NH2+]C[C@H](CO)Cc1ccc(C)c(Br)c1 ZINC000453358866 564455204 /nfs/dbraw/zinc/45/52/04/564455204.db2.gz JALRPHMCNULZMY-CVEARBPZSA-N 1 0 381.318 2.568 20 0 GFADRO CC[C@H]([NH2+]CCc1cnc(C)cn1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000453396382 564455878 /nfs/dbraw/zinc/45/58/78/564455878.db2.gz INADFRKFRMRFFM-INIZCTEOSA-N 1 0 382.917 2.630 20 0 GFADRO C[C@H](C(=O)N1CCC[C@@H](n2cc(C[NH3+])nn2)C1)c1ccc(Br)s1 ZINC000514787650 564457722 /nfs/dbraw/zinc/45/77/22/564457722.db2.gz ATOABZWCCWGMOF-CMPLNLGQSA-N 1 0 398.330 2.528 20 0 GFADRO C[NH+](C)C[C@H]1CCN(c2ncnc3cccc(I)c32)C1 ZINC000546581871 564460066 /nfs/dbraw/zinc/46/00/66/564460066.db2.gz HJSKUNJWYBMKAD-LLVKDONJSA-N 1 0 382.249 2.622 20 0 GFADRO Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000546587422 564460504 /nfs/dbraw/zinc/46/05/04/564460504.db2.gz UJYKZAPYEMKUHC-KRWDZBQOSA-N 1 0 384.263 2.753 20 0 GFADRO COc1cc(C[NH2+]C[C@H]2CC[C@@H](C)O2)cc(I)c1OC ZINC000453634439 564461395 /nfs/dbraw/zinc/46/13/95/564461395.db2.gz SOXNFUNLQACEBQ-ZYHUDNBSSA-N 1 0 391.249 2.966 20 0 GFADRO Cc1cc(C[C@@H](C)[NH2+][C@@H]2CCS(=O)(=O)c3ccc(Br)cc32)[nH]n1 ZINC000480159865 564461469 /nfs/dbraw/zinc/46/14/69/564461469.db2.gz MXRUYCVYRUBVCA-MEBBXXQBSA-N 1 0 398.326 2.920 20 0 GFADRO C[C@@H]1CN(C2CC2)C[C@H]1[NH2+][C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000480173085 564462605 /nfs/dbraw/zinc/46/26/05/564462605.db2.gz VCXFWSNOSJMNNJ-HFBAOOFYSA-N 1 0 399.354 2.740 20 0 GFADRO O=S1(=O)CC[C@@H]([NH2+]CCNc2ccccn2)c2cc(Br)ccc21 ZINC000480189927 564463413 /nfs/dbraw/zinc/46/34/13/564463413.db2.gz FCBNWAGVXFVQOG-CQSZACIVSA-N 1 0 396.310 2.764 20 0 GFADRO O[C@H](C[NH2+][C@@H]1CCN(CC(F)(F)F)C1)COc1cc(Cl)ccc1Cl ZINC000569475020 564464755 /nfs/dbraw/zinc/46/47/55/564464755.db2.gz XDCVMBXZEHLMBX-VXGBXAGGSA-N 1 0 387.229 2.959 20 0 GFADRO C[C@H](Cn1ccnc1)[NH2+][C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000480228116 564464909 /nfs/dbraw/zinc/46/49/09/564464909.db2.gz RLMMFOFDBGIMBO-RISCZKNCSA-N 1 0 384.299 2.542 20 0 GFADRO C[C@H](C[NH2+][C@H]1CCS(=O)(=O)c2ccc(Br)cc21)N(C)C1CC1 ZINC000480220640 564465305 /nfs/dbraw/zinc/46/53/05/564465305.db2.gz RXNXFQYCAWAUPI-ABAIWWIYSA-N 1 0 387.343 2.740 20 0 GFADRO CC(C)(C)[C@H](O)C[NH2+][C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000480241671 564466242 /nfs/dbraw/zinc/46/62/42/564466242.db2.gz PUVFNTOCXOIYMG-GXTWGEPZSA-N 1 0 376.316 2.664 20 0 GFADRO C[C@@H]1CN(C[C@H](O)C[NH2+]CCOCc2ccc(Cl)cc2Cl)C[C@H](C)O1 ZINC000515054711 564466599 /nfs/dbraw/zinc/46/65/99/564466599.db2.gz MRWBUUDXIGRDHG-JKIFEVAISA-N 1 0 391.339 2.570 20 0 GFADRO C[C@@H](Oc1ccc(Br)cc1)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000480276056 564466820 /nfs/dbraw/zinc/46/68/20/564466820.db2.gz RFRANPFJAIKVPO-WBMJQRKESA-N 1 0 387.343 2.770 20 0 GFADRO C[NH2+]C1CCN(C(=O)[C@H](c2ccc(Br)cc2)N2CCCC2)CC1 ZINC000569572991 564469513 /nfs/dbraw/zinc/46/95/13/564469513.db2.gz JFNSJJUMNIWTLN-KRWDZBQOSA-N 1 0 380.330 2.796 20 0 GFADRO Cc1cccc(NC(=O)C(=O)N2CC[N@@H+](C3CC3)C[C@@H](C)C2)c1Br ZINC000453764994 564470349 /nfs/dbraw/zinc/47/03/49/564470349.db2.gz DRNSALGPPKNPPQ-GFCCVEGCSA-N 1 0 394.313 2.639 20 0 GFADRO COc1c(Br)c(C)sc1C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000480376651 564470477 /nfs/dbraw/zinc/47/04/77/564470477.db2.gz LMUMZZUOHJQMFS-CQSZACIVSA-N 1 0 393.372 2.995 20 0 GFADRO CO[C@@H](C)[C@@H](C)[NH2+][C@H](C)C(=O)Nc1ccc(I)cc1 ZINC000515173364 564471329 /nfs/dbraw/zinc/47/13/29/564471329.db2.gz ZMXLVGBYXGDBTR-MXWKQRLJSA-N 1 0 376.238 2.631 20 0 GFADRO Cn1cc(C[NH2+]CCn2cc(Br)ccc2=O)c(-c2cccs2)n1 ZINC000569674223 564474037 /nfs/dbraw/zinc/47/40/37/564474037.db2.gz PWMZNMAFHQZQIP-UHFFFAOYSA-N 1 0 393.310 2.863 20 0 GFADRO Brc1cnc(CN2CC[NH+](C3CC3)CC2)c(Br)c1 ZINC000481907539 564527773 /nfs/dbraw/zinc/52/77/73/564527773.db2.gz IIROWAFJVAFROG-UHFFFAOYSA-N 1 0 375.108 2.887 20 0 GFADRO O=C(NCCc1c[nH]c2cccc(Br)c12)N1CC[NH+]2CCC1CC2 ZINC000515410136 564478485 /nfs/dbraw/zinc/47/84/85/564478485.db2.gz QDNJNNDQTVPSED-UHFFFAOYSA-N 1 0 391.313 2.963 20 0 GFADRO Cc1cc(Br)c(S(=O)(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)s1 ZINC000569811001 564479502 /nfs/dbraw/zinc/47/95/02/564479502.db2.gz RVTYGYHSKOWJBE-ZDUSSCGKSA-N 1 0 379.345 2.583 20 0 GFADRO CC[NH2+]CC1CCN(S(=O)(=O)Cc2cccc(Br)c2)CC1 ZINC000569810321 564479572 /nfs/dbraw/zinc/47/95/72/564479572.db2.gz IKINXJOUPYMBFH-UHFFFAOYSA-N 1 0 375.332 2.600 20 0 GFADRO CC(=O)N1CCN(CC[NH2+][C@@H](C)[C@@H](C)Oc2ccc(Cl)cc2Cl)CC1 ZINC000480630489 564479967 /nfs/dbraw/zinc/47/99/67/564479967.db2.gz LXQNWKQNRDEANK-UONOGXRCSA-N 1 0 388.339 2.903 20 0 GFADRO C[NH+](C)[C@@]1(CNc2ncnc3cc(F)c(Br)cc32)CCSC1 ZINC000547290508 564483301 /nfs/dbraw/zinc/48/33/01/564483301.db2.gz SRSMBFDHHHACEI-OAHLLOKOSA-N 1 0 385.306 3.381 20 0 GFADRO C[C@@H](CN(C)C(=O)NC[C@H]1C[NH2+]CCCO1)Oc1ccc(Cl)c(Cl)c1 ZINC000569912444 564484179 /nfs/dbraw/zinc/48/41/79/564484179.db2.gz USHHNIYWOZEMBD-GXTWGEPZSA-N 1 0 390.311 2.781 20 0 GFADRO CC[C@H]([NH2+]Cc1cc2cc(Br)ccc2o1)C(=O)N1CCOCC1 ZINC000515672714 564484655 /nfs/dbraw/zinc/48/46/55/564484655.db2.gz JGACYCNHNKHSLG-HNNXBMFYSA-N 1 0 381.270 2.922 20 0 GFADRO C[N@H+](CC(=O)N[C@H]1CCOc2ccc(Br)cc21)[C@@H]1CCSC1 ZINC000480731965 564484887 /nfs/dbraw/zinc/48/48/87/564484887.db2.gz AHXGFDZSJWAMJS-OCCSQVGLSA-N 1 0 385.327 2.826 20 0 GFADRO CCC[C@@H]1C[NH2+]CCN1C(=O)c1ccc(OC)cc1I ZINC000570042379 564488776 /nfs/dbraw/zinc/48/87/76/564488776.db2.gz SMUHRXWUWPCULG-LLVKDONJSA-N 1 0 388.249 2.514 20 0 GFADRO [NH3+]CC[C@H](NC(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl)C(F)F ZINC000570043530 564489461 /nfs/dbraw/zinc/48/94/61/564489461.db2.gz OYGMERBBNKKXRY-STQMWFEESA-N 1 0 394.249 2.697 20 0 GFADRO COC(=O)[C@@H](c1cccc(Cl)c1Cl)N1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000516066140 564492275 /nfs/dbraw/zinc/49/22/75/564492275.db2.gz VUTAFSQUPRWIGM-MLGOLLRUSA-N 1 0 387.307 2.895 20 0 GFADRO COC(=O)c1cc(S(=O)(=O)N[C@@H](C)[C@H](c2ccccc2)[NH+](C)C)cs1 ZINC000480898636 564494874 /nfs/dbraw/zinc/49/48/74/564494874.db2.gz NNJPASDGSAUBIE-BLLLJJGKSA-N 1 0 382.507 2.504 20 0 GFADRO CS(=O)(=O)N1CCCC[C@H]1C[NH2+][C@H]1CCc2sc(Br)cc21 ZINC000516199305 564495916 /nfs/dbraw/zinc/49/59/16/564495916.db2.gz YLNBFZGLWHIACQ-JQWIXIFHSA-N 1 0 393.372 2.902 20 0 GFADRO Cc1ccc(C[N@H+]2CC[C@H](CN(C)[C@H](C)C(=O)NCC(F)(F)F)C2)s1 ZINC000516186002 564496215 /nfs/dbraw/zinc/49/62/15/564496215.db2.gz UKMZCSCNKSGFPN-ZIAGYGMSSA-N 1 0 377.476 2.877 20 0 GFADRO C[C@@H](CNS(=O)(=O)Cc1ccc(Br)cc1)[NH+]1CCC(C)CC1 ZINC000480955372 564497307 /nfs/dbraw/zinc/49/73/07/564497307.db2.gz NLANIZIHDHTGFO-AWEZNQCLSA-N 1 0 389.359 2.989 20 0 GFADRO O=S(=O)(c1ccc(C(F)(F)F)cn1)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000480982781 564498667 /nfs/dbraw/zinc/49/86/67/564498667.db2.gz QMJYRFBQCFKZLQ-AWEZNQCLSA-N 1 0 377.432 2.739 20 0 GFADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)[C@H]1CCc2cc(Br)ccc21 ZINC000570282114 564499042 /nfs/dbraw/zinc/49/90/42/564499042.db2.gz SAJNDYCEXVLPTQ-KSSFIOAISA-N 1 0 394.357 2.621 20 0 GFADRO CCOC(=O)C1(C[NH2+]Cc2ncc(I)s2)CCC1 ZINC000570319246 564500962 /nfs/dbraw/zinc/50/09/62/564500962.db2.gz NVVWOJUHFAQBIL-UHFFFAOYSA-N 1 0 380.251 2.571 20 0 GFADRO O=C(CNC(=O)c1ccc(Cl)cc1Cl)NC1CC[NH+](CC2CC2)CC1 ZINC000516402921 564501915 /nfs/dbraw/zinc/50/19/15/564501915.db2.gz MUQZQTORDVHGIW-UHFFFAOYSA-N 1 0 384.307 2.714 20 0 GFADRO CC(C)[C@H]1CN(C(=O)c2cnnn2-c2c(Cl)cccc2Cl)CC[N@@H+]1C ZINC000481120340 564504239 /nfs/dbraw/zinc/50/42/39/564504239.db2.gz XSJKDMZHLDSQMO-OAHLLOKOSA-N 1 0 382.295 2.986 20 0 GFADRO CO[C@@H]1CCN(C(=O)Nc2cc(Br)cc3nc(C)oc32)[C@@H](C[NH3+])C1 ZINC000516551476 564504950 /nfs/dbraw/zinc/50/49/50/564504950.db2.gz RRARYVMBTBZEIG-VXGBXAGGSA-N 1 0 397.273 2.869 20 0 GFADRO CC(C)(C)N1CC[C@H]([NH2+]Cc2cc(Br)c3c(c2)OCCO3)C1=O ZINC000516562479 564505036 /nfs/dbraw/zinc/50/50/36/564505036.db2.gz UBEWPCKPVILRKX-ZDUSSCGKSA-N 1 0 383.286 2.709 20 0 GFADRO C[C@H]([NH2+][C@H]1CCC[C@H](S(C)(=O)=O)C1)c1ncc(Br)cc1F ZINC000547653935 564506022 /nfs/dbraw/zinc/50/60/22/564506022.db2.gz HFNZIUMMYPZPLM-DLOVCJGASA-N 1 0 379.295 2.990 20 0 GFADRO N[C@H](C(=O)NC[C@H]1CCCCN1Cc1cccc(Cl)c1)c1cscn1 ZINC000516647994 564508138 /nfs/dbraw/zinc/50/81/38/564508138.db2.gz HBYPZRLHDNHKBQ-WBVHZDCISA-N 1 0 378.929 2.967 20 0 GFADRO C[NH+](C)[C@]1(CNC(=O)NCc2ccc(Br)s2)CCSC1 ZINC000481295142 564509204 /nfs/dbraw/zinc/50/92/04/564509204.db2.gz VRPXYDNHMGCLHM-ZDUSSCGKSA-N 1 0 378.361 2.747 20 0 GFADRO C[NH+](C)[C@@]1(CNS(=O)(=O)Cc2ccc(Cl)c(Cl)c2)CCSC1 ZINC000481333490 564509720 /nfs/dbraw/zinc/50/97/20/564509720.db2.gz BRIRUBKVXOEVQG-CQSZACIVSA-N 1 0 383.366 2.850 20 0 GFADRO C[NH+](C)[C@]1(CNS(=O)(=O)c2ccc(F)cc2C(F)(F)F)CCSC1 ZINC000481337041 564510221 /nfs/dbraw/zinc/51/02/21/564510221.db2.gz IQUWDOZKFRMGAX-ZDUSSCGKSA-N 1 0 386.436 2.560 20 0 GFADRO COc1c[nH+]ccc1N1CCN(S(=O)(=O)c2cc(C)ccc2Cl)CC1 ZINC000481474382 564513336 /nfs/dbraw/zinc/51/33/36/564513336.db2.gz JORFBHUOXIQYFJ-UHFFFAOYSA-N 1 0 381.885 2.563 20 0 GFADRO CC[C@H]([NH2+][C@@H]1C[C@H](C)N(C2CC2)C1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000481649471 564518476 /nfs/dbraw/zinc/51/84/76/564518476.db2.gz FIKUOCJMVBQUDM-QEORTHHSSA-N 1 0 385.961 2.914 20 0 GFADRO O=C(C[NH2+]C[C@@H]1CCCO1)N[C@H]1C[C@H](c2ccc(F)c(Br)c2)C1 ZINC000516969339 564518953 /nfs/dbraw/zinc/51/89/53/564518953.db2.gz ZLMMSGVZSXPHRI-IHRRRGAJSA-N 1 0 385.277 2.719 20 0 GFADRO CN(CCC[N@H+](C)Cc1ccncc1)C(=O)c1cc(Br)cn1C ZINC000570728751 564519040 /nfs/dbraw/zinc/51/90/40/564519040.db2.gz ZFENETXVGHTSIZ-UHFFFAOYSA-N 1 0 379.302 2.777 20 0 GFADRO O=S(=O)(c1cccs1)N1CC[C@@H](C[NH2+]Cc2cnc(C3CC3)s2)C1 ZINC000516986024 564519619 /nfs/dbraw/zinc/51/96/19/564519619.db2.gz ZVLSZXSLEAWGHB-LBPRGKRZSA-N 1 0 383.564 2.882 20 0 GFADRO C[NH+](C)[C@@]1(CNC(=O)N2CCc3ccc(Br)cc32)CCSC1 ZINC000481787013 564523977 /nfs/dbraw/zinc/52/39/77/564523977.db2.gz VNGBMCGHHGSLNE-MRXNPFEDSA-N 1 0 384.343 2.959 20 0 GFADRO C[NH+](C)[C@]1(CNC(=O)N2CCN(c3cccc(Cl)c3)CC2)CCSC1 ZINC000481784099 564524102 /nfs/dbraw/zinc/52/41/02/564524102.db2.gz RPPQGNVEXVYJMW-SFHVURJKSA-N 1 0 382.961 2.609 20 0 GFADRO [NH3+]C[C@H]1c2ccccc2CCN1S(=O)(=O)c1ccc(F)c(Br)c1 ZINC000570926646 564528011 /nfs/dbraw/zinc/52/80/11/564528011.db2.gz CTCUDELCTYYLGU-INIZCTEOSA-N 1 0 399.285 2.835 20 0 GFADRO COCCCOc1ccc(Cl)cc1S(=O)(=O)NC[C@H](C)[NH+]1CCCC1 ZINC000548042554 564529262 /nfs/dbraw/zinc/52/92/62/564529262.db2.gz RWIGZPUVTNCWGQ-AWEZNQCLSA-N 1 0 390.933 2.518 20 0 GFADRO C[C@@H](c1ccccc1Br)N(C)C(=O)NCC[N@@H+]1CCCOCC1 ZINC000455003516 564531503 /nfs/dbraw/zinc/53/15/03/564531503.db2.gz RCOCUVSEJDVCND-AWEZNQCLSA-N 1 0 384.318 2.874 20 0 GFADRO CNC(=O)C1CCC([NH2+]C[C@@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000517362103 564532218 /nfs/dbraw/zinc/53/22/18/564532218.db2.gz ZAZLGPKINZIMAD-UXUKBGGZSA-N 1 0 375.296 2.628 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)c(C)c1C(=O)NC1CC[NH2+]CC1 ZINC000571087728 564535297 /nfs/dbraw/zinc/53/52/97/564535297.db2.gz GWSFSNQCRRTISO-UHFFFAOYSA-N 1 0 377.286 2.733 20 0 GFADRO CSCC[C@@H](C)N(C)C(=O)C(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000571084554 564535449 /nfs/dbraw/zinc/53/54/49/564535449.db2.gz VYZMKHWHVRMLGX-CJNGLKHVSA-N 1 0 385.961 2.659 20 0 GFADRO O=C(C[C@H]1CCC[NH2+]1)N(CCn1ccnc1)Cc1ccccc1Br ZINC000571079819 564535498 /nfs/dbraw/zinc/53/54/98/564535498.db2.gz IUZZXRRJNMKMJL-MRXNPFEDSA-N 1 0 391.313 2.817 20 0 GFADRO Cc1cc(NC(=O)NC[C@@H]2CC[N@@H+](C)C2)nn1-c1ccc(Cl)cc1Cl ZINC000455082174 564536276 /nfs/dbraw/zinc/53/62/76/564536276.db2.gz NFURISZMBBOBPD-LBPRGKRZSA-N 1 0 382.295 3.561 20 0 GFADRO O=S(=O)(Cc1c(F)cccc1Cl)NCC1([NH+]2CCCC2)CCOCC1 ZINC000571155239 564538324 /nfs/dbraw/zinc/53/83/24/564538324.db2.gz MTSSVAZGGXRETO-UHFFFAOYSA-N 1 0 390.908 2.544 20 0 GFADRO Cc1nc2n(n1)C[C@H]([NH2+][C@H](C)c1ccccc1I)CC2 ZINC000482233161 564539434 /nfs/dbraw/zinc/53/94/34/564539434.db2.gz DXTQIYVOYRKUBU-ZYHUDNBSSA-N 1 0 382.249 2.857 20 0 GFADRO C[C@@H](NS(=O)(=O)c1c(F)cccc1OC(F)(F)F)C(C)(C)C[NH+](C)C ZINC000571187933 564540225 /nfs/dbraw/zinc/54/02/25/564540225.db2.gz BJWNVWMGKJABDD-SNVBAGLBSA-N 1 0 386.411 2.979 20 0 GFADRO O=c1cc2c(n[nH]1)CC[N@@H+](Cc1cnn(-c3ccc(Br)cc3)c1)C2 ZINC000482281815 564540456 /nfs/dbraw/zinc/54/04/56/564540456.db2.gz VPEIHTBQPPPWRN-UHFFFAOYSA-N 1 0 386.253 2.689 20 0 GFADRO Cc1nc(CNC(=O)N2C[C@H]3CCCC[N@H+]3C[C@@H]2C)sc1Br ZINC000455201500 564542327 /nfs/dbraw/zinc/54/23/27/564542327.db2.gz ANMJLHXUDUHALI-CMPLNLGQSA-N 1 0 387.347 2.982 20 0 GFADRO O[C@@H](C[NH2+][C@H]1CCN(c2ncccc2Cl)C1)COc1ccccc1Cl ZINC000571277257 564543593 /nfs/dbraw/zinc/54/35/93/564543593.db2.gz DQLUGAOCLFBCSU-KBPBESRZSA-N 1 0 382.291 2.997 20 0 GFADRO C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CC1(N2CCOCC2)CC1 ZINC000571270465 564544025 /nfs/dbraw/zinc/54/40/25/564544025.db2.gz CTRIHRNDUJHFOW-AWEZNQCLSA-N 1 0 396.329 2.621 20 0 GFADRO C[C@H](CNC(=O)[C@@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1)[NH+]1CCCC1 ZINC000518037713 564544725 /nfs/dbraw/zinc/54/47/25/564544725.db2.gz KKBGAPQPBXGHDS-CHWSQXEVSA-N 1 0 384.307 2.947 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2CCc3cc(Br)ccc32)CC1 ZINC000571286087 564544917 /nfs/dbraw/zinc/54/49/17/564544917.db2.gz VEDRMOIDMZSGQN-KSZLIROESA-N 1 0 393.325 2.834 20 0 GFADRO COCC[N@@H+]1CC[C@@H](NC(=O)CSc2ccc(Br)cc2C)C1 ZINC000518075775 564545747 /nfs/dbraw/zinc/54/57/47/564545747.db2.gz JDOIBEPITOZDIG-CQSZACIVSA-N 1 0 387.343 2.687 20 0 GFADRO O=C(NC[C@@H]1CCC[N@H+]1CCCO)Nc1cc(F)cc(F)c1Br ZINC000455258011 564545846 /nfs/dbraw/zinc/54/58/46/564545846.db2.gz QAYTXCWXCYBIRJ-NSHDSACASA-N 1 0 392.244 2.696 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+][C@H]1CCCN(C)C1=O ZINC000482648719 564547630 /nfs/dbraw/zinc/54/76/30/564547630.db2.gz MATAQXBRMBKFCI-INIZCTEOSA-N 1 0 377.286 2.654 20 0 GFADRO COCC[N@H+](C)C[C@H](O)CN1CCC[C@@H]1c1ccc(Br)c(F)c1 ZINC000518210996 564548310 /nfs/dbraw/zinc/54/83/10/564548310.db2.gz AXMLEFKJGQNQAK-WMLDXEAASA-N 1 0 389.309 2.664 20 0 GFADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)c2cc(F)c(Cl)cc2Cl)CC1 ZINC000518298096 564550618 /nfs/dbraw/zinc/55/06/18/564550618.db2.gz BLKVUJIPSFOZQB-UHFFFAOYSA-N 1 0 390.286 2.805 20 0 GFADRO CCN(CC)C[C@H](C)[NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000571433008 564550755 /nfs/dbraw/zinc/55/07/55/564550755.db2.gz NGQIDUFKPSPYBE-SWLSCSKDSA-N 1 0 377.298 2.648 20 0 GFADRO CS[C@@H]1CN(Cc2ccc(Cl)cc2-n2cncn2)C[C@H]1[NH+]1CCCC1 ZINC000482822137 564550875 /nfs/dbraw/zinc/55/08/75/564550875.db2.gz DTLRPKVIWDJKJK-QZTJIDSGSA-N 1 0 377.945 2.932 20 0 GFADRO CO[C@H]1CCN(C(=O)CCCOc2ccccc2Br)[C@H](C[NH3+])C1 ZINC000571432028 564551136 /nfs/dbraw/zinc/55/11/36/564551136.db2.gz BNYDJNRREIWCMO-KBPBESRZSA-N 1 0 385.302 2.573 20 0 GFADRO C[C@H](OC[C@H](O)C[NH2+]CCc1cn2c(n1)SCC2)c1ccc(Cl)cc1 ZINC000571517090 564554586 /nfs/dbraw/zinc/55/45/86/564554586.db2.gz DWJKJLQBFDFWDS-SUMWQHHRSA-N 1 0 381.929 2.913 20 0 GFADRO CC(=O)N[C@@H](CC(=O)NC[C@@]1(C)CCC[NH2+]C1)c1ccc(Br)cc1 ZINC000571524043 564555024 /nfs/dbraw/zinc/55/50/24/564555024.db2.gz ZAVSHKADMBGOBB-WMZOPIPTSA-N 1 0 396.329 2.522 20 0 GFADRO CC(C)C[C@@](C)([NH2+]CC(=O)N1CCNC1=O)c1cccc(Br)c1 ZINC000483043311 564557415 /nfs/dbraw/zinc/55/74/15/564557415.db2.gz QYMMKGQAIBPDSA-QGZVFWFLSA-N 1 0 382.302 2.852 20 0 GFADRO CC(C)Cc1ncnc(N(C)CC[N@H+](C)C2CC2)c1I ZINC000571589586 564557748 /nfs/dbraw/zinc/55/77/48/564557748.db2.gz LNUQLCXILPTMBD-UHFFFAOYSA-N 1 0 388.297 2.810 20 0 GFADRO O=C(NCCOc1ccc(Br)cc1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000571625354 564559133 /nfs/dbraw/zinc/55/91/33/564559133.db2.gz PEYLBIQOPRNALF-KRWDZBQOSA-N 1 0 382.302 2.613 20 0 GFADRO C[NH+](C)C[C@H]1CCCCN1C(=O)c1ccc(I)cc1F ZINC000518686563 564559519 /nfs/dbraw/zinc/55/95/19/564559519.db2.gz BADLMWACWVCPNT-GFCCVEGCSA-N 1 0 390.240 2.987 20 0 GFADRO C[C@H]1[C@H](NC(=O)Nc2ccn(-c3ccc(Br)cc3)n2)CCC[N@@H+]1C ZINC000455605310 564559897 /nfs/dbraw/zinc/55/98/97/564559897.db2.gz ALPURYZGWGLQBO-SWLSCSKDSA-N 1 0 392.301 3.239 20 0 GFADRO CC[C@@H]([NH3+])CNC(=O)c1cccc(Br)c1I ZINC000571640519 564559925 /nfs/dbraw/zinc/55/99/25/564559925.db2.gz BMMPJUNSQRRDCD-SSDOTTSWSA-N 1 0 397.054 2.521 20 0 GFADRO O=C(CC[NH2+]C1CC1)Nc1ccc(CCn2cc(Br)cn2)cc1 ZINC000571655387 564560673 /nfs/dbraw/zinc/56/06/73/564560673.db2.gz HEBQLSCFOQIEHK-UHFFFAOYSA-N 1 0 377.286 2.969 20 0 GFADRO CN(CCC[NH+](C)C)C(=O)C(=O)N1CCC[C@@H]1c1cccc(Br)c1 ZINC000518715602 564561070 /nfs/dbraw/zinc/56/10/70/564561070.db2.gz BUKCSGUCHGINAX-MRXNPFEDSA-N 1 0 396.329 2.523 20 0 GFADRO C[C@H]1C[C@@H](NC(=O)Nc2ccn(-c3ccc(Br)cc3)n2)CC[N@@H+]1C ZINC000455635951 564561343 /nfs/dbraw/zinc/56/13/43/564561343.db2.gz XLODEQCZRGLMNK-JSGCOSHPSA-N 1 0 392.301 3.239 20 0 GFADRO C[C@@H]1CC[NH2+]C[C@H]1NS(=O)(=O)c1ccc2ccccc2c1Br ZINC000571682091 564561397 /nfs/dbraw/zinc/56/13/97/564561397.db2.gz TUIZMAPFOZZHKR-BXUZGUMPSA-N 1 0 383.311 2.879 20 0 GFADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)Cc2cc(Cl)ccc2Cl)CC1 ZINC000518815229 564562344 /nfs/dbraw/zinc/56/23/44/564562344.db2.gz FNXHBSNWAQHACZ-UHFFFAOYSA-N 1 0 386.323 2.595 20 0 GFADRO C[C@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[N@@H+]1CC[C@](C)(C(N)=O)C1 ZINC000483280057 564562720 /nfs/dbraw/zinc/56/27/20/564562720.db2.gz JFHLZEKURCAFRH-PSLIRLAXSA-N 1 0 377.794 2.883 20 0 GFADRO COc1ccc(Br)c(C(=O)NCCC[NH2+][C@H](C)[C@H]2CCCO2)c1 ZINC000518834248 564563571 /nfs/dbraw/zinc/56/35/71/564563571.db2.gz WDVUKGUVFXZITI-MLGOLLRUSA-N 1 0 385.302 2.735 20 0 GFADRO CCS(=O)(=O)N1CCC(C[NH2+]Cc2sc(C)cc2Br)CC1 ZINC000571734124 564564628 /nfs/dbraw/zinc/56/46/28/564564628.db2.gz BRBVGVUSGIKWDL-UHFFFAOYSA-N 1 0 395.388 2.970 20 0 GFADRO Cc1sc(=O)n(CCC(=O)NC[C@@H](c2ccc(Cl)cc2)[NH+](C)C)c1C ZINC000571732851 564564856 /nfs/dbraw/zinc/56/48/56/564564856.db2.gz NBGBRCVFJKLSRY-INIZCTEOSA-N 1 0 381.929 2.989 20 0 GFADRO Cc1ccc(F)c(Br)c1NC(=O)N1CC[N@@H+](C[C@@H](C)O)C[C@H]1C ZINC000455692906 564565585 /nfs/dbraw/zinc/56/55/85/564565585.db2.gz KTZMVQJPTCMXHM-VXGBXAGGSA-N 1 0 388.281 2.815 20 0 GFADRO C[C@@H](c1cccc(Br)c1)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000483384019 564566409 /nfs/dbraw/zinc/56/64/09/564566409.db2.gz RDTLATVTDKFPOV-HNNXBMFYSA-N 1 0 380.330 2.750 20 0 GFADRO CC(C)[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)N1C[C@@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000518964097 564566675 /nfs/dbraw/zinc/56/66/75/564566675.db2.gz ZVXGQMNYOSXLOT-OQMKEHIESA-N 1 0 385.961 2.988 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C(=O)N1C[C@@H](C)[NH2+][C@H](C)C1 ZINC000571796609 564566978 /nfs/dbraw/zinc/56/69/78/564566978.db2.gz FVDNYKLPPZBOLD-VXGBXAGGSA-N 1 0 377.286 2.766 20 0 GFADRO CC[NH+](CC)C[C@H](C)NC(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000519062258 564568320 /nfs/dbraw/zinc/56/83/20/564568320.db2.gz FOPRMHQZSHHLFY-KBPBESRZSA-N 1 0 396.329 2.649 20 0 GFADRO C[C@H](CNC(=O)c1ccc(I)c(F)c1)[N@H+](C)C1CC1 ZINC000519142349 564570445 /nfs/dbraw/zinc/57/04/45/564570445.db2.gz IKDUFFXWYRHAAI-SECBINFHSA-N 1 0 376.213 2.643 20 0 GFADRO O=C1c2ccccc2C(=O)N1CC[NH2+]Cc1cc(Br)ccc1F ZINC000571899764 564571710 /nfs/dbraw/zinc/57/17/10/564571710.db2.gz KVDXUZWIDQPRDB-UHFFFAOYSA-N 1 0 377.213 2.974 20 0 GFADRO Cc1cnc(CC[NH2+]Cc2ccc(Br)cc2N2CCOCC2)cn1 ZINC000519319220 564574341 /nfs/dbraw/zinc/57/43/41/564574341.db2.gz CIDWJZQXQSIIJP-UHFFFAOYSA-N 1 0 391.313 2.716 20 0 GFADRO CCc1ccc(-c2csc(NC(=O)C(=O)N3CCC[N@H+](C)CC3)n2)s1 ZINC000571962447 564574761 /nfs/dbraw/zinc/57/47/61/564574761.db2.gz ZOFDMBXFJSXDSW-UHFFFAOYSA-N 1 0 378.523 2.537 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@@H](C)Oc1ccccc1Br ZINC000483819401 564575637 /nfs/dbraw/zinc/57/56/37/564575637.db2.gz NILBFJTXKNCGOU-KGLIPLIRSA-N 1 0 384.318 3.000 20 0 GFADRO COC[C@H](C)OC[C@H](O)C[NH2+][C@H](C)Cc1cc(Br)ccc1F ZINC000571994161 564576112 /nfs/dbraw/zinc/57/61/12/564576112.db2.gz KXGYQORZGFNSSO-TYNCELHUSA-N 1 0 378.282 2.521 20 0 GFADRO COc1cc(Br)c(S(=O)(=O)N[C@H](C)C[C@H](C)[NH3+])cc1Cl ZINC000572037707 564578811 /nfs/dbraw/zinc/57/88/11/564578811.db2.gz CHIAXPLBVIXWNV-JGVFFNPUSA-N 1 0 385.711 2.515 20 0 GFADRO COC[C@]1(CNC(=O)N[C@@H]2CCc3c2cccc3Br)CCC[NH2+]1 ZINC000572103227 564580706 /nfs/dbraw/zinc/58/07/06/564580706.db2.gz OFEDQXXRANWSOY-NVXWUHKLSA-N 1 0 382.302 2.504 20 0 GFADRO CCNC(=O)C1(C[NH2+]CCC(=O)Nc2ccc(Br)cc2)CCC1 ZINC000519594787 564582283 /nfs/dbraw/zinc/58/22/83/564582283.db2.gz LVYOMADRJFLIMK-UHFFFAOYSA-N 1 0 382.302 2.674 20 0 GFADRO O=C1C[C@@H](NCc2cn(-c3ccc(Cl)c(Cl)c3)nn2)[C@@H]2CCCCN12 ZINC000548976102 564582349 /nfs/dbraw/zinc/58/23/49/564582349.db2.gz BCCHVIMPJXODHE-CVEARBPZSA-N 1 0 380.279 2.817 20 0 GFADRO Oc1cccc(CC[NH2+]C[C@@H](O)COc2cc(F)cc(Br)c2)c1 ZINC000519596333 564583224 /nfs/dbraw/zinc/58/32/24/564583224.db2.gz LHZDLYQACRUQPN-MRXNPFEDSA-N 1 0 384.245 2.866 20 0 GFADRO CN(CCC[NH3+])C(=O)Nc1cc(Br)cnc1OCC(F)(F)F ZINC000572224393 564585304 /nfs/dbraw/zinc/58/53/04/564585304.db2.gz MXDICIJMRLHRDU-UHFFFAOYSA-N 1 0 385.184 2.598 20 0 GFADRO NC(=O)c1ccc(C[NH2+][C@H]2CCCOc3cc(Br)ccc32)cn1 ZINC000484296536 564586134 /nfs/dbraw/zinc/58/61/34/564586134.db2.gz QNDSYRGNGVHEBW-AWEZNQCLSA-N 1 0 376.254 2.947 20 0 GFADRO CC(C)[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000549097356 564586247 /nfs/dbraw/zinc/58/62/47/564586247.db2.gz ITKSJKMWRJXQSW-CZUORRHYSA-N 1 0 383.945 2.853 20 0 GFADRO COC(=O)c1ccc(Br)cc1C[N@H+](C)CCCNC(=O)C1CCC1 ZINC000549174713 564587013 /nfs/dbraw/zinc/58/70/13/564587013.db2.gz SUYDRGWCWRCTMU-UHFFFAOYSA-N 1 0 397.313 2.974 20 0 GFADRO C[C@@H]([NH2+][C@@H](C)CCS(C)(=O)=O)c1ccccc1I ZINC000484399710 564587643 /nfs/dbraw/zinc/58/76/43/564587643.db2.gz PADPMORYLYKXAW-WDEREUQCSA-N 1 0 381.279 2.765 20 0 GFADRO CS[C@@H]1CN(Cc2ccc(S(=O)(=O)C(C)C)cc2)C[C@@H]1[NH+]1CCCC1 ZINC000484644791 564593730 /nfs/dbraw/zinc/59/37/30/564593730.db2.gz MJRCKRDGXYYQJY-RBUKOAKNSA-N 1 0 382.595 2.880 20 0 GFADRO COc1cc(C)c(Br)cc1C(=O)NC[C@H](O)C[NH+]1CCC(C)CC1 ZINC000572430253 564594006 /nfs/dbraw/zinc/59/40/06/564594006.db2.gz JDOCIWFKLCQELF-AWEZNQCLSA-N 1 0 399.329 2.589 20 0 GFADRO CC(C)[NH+]1CCC(NC(=O)CS(=O)(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000549433802 564594621 /nfs/dbraw/zinc/59/46/21/564594621.db2.gz ZZLQSGJORZWVDV-UHFFFAOYSA-N 1 0 393.336 2.756 20 0 GFADRO CC[NH+](CC)C[C@@H](C)NC(=O)[C@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000519994925 564596181 /nfs/dbraw/zinc/59/61/81/564596181.db2.gz DZWCNAXDXPIHLU-KGLIPLIRSA-N 1 0 396.329 2.649 20 0 GFADRO C[C@@H]1CN(C(=O)CCCOc2cccc(Br)c2)C[C@H](C)[N@H+]1CCO ZINC000456230176 564596326 /nfs/dbraw/zinc/59/63/26/564596326.db2.gz SYOFVHOHDHHRJD-GASCZTMLSA-N 1 0 399.329 2.522 20 0 GFADRO C[C@@H]1C[C@@H](C)N(C(=O)c2cc(=O)c3cc(Br)ccc3[nH]2)C[C@H]1C[NH3+] ZINC000572474431 564596330 /nfs/dbraw/zinc/59/63/30/564596330.db2.gz SHCRPJANAFRNBK-IJLUTSLNSA-N 1 0 392.297 2.736 20 0 GFADRO COc1sc(C[NH2+]C[C@](C)(O)C(=O)OC(C)(C)C)cc1Br ZINC000484749165 564597130 /nfs/dbraw/zinc/59/71/30/564597130.db2.gz HBEGMDWZJVBJOY-AWEZNQCLSA-N 1 0 380.304 2.702 20 0 GFADRO CC[N@@H+]1CC[C@H]2OCCN(c3ncnc4ccc(Br)cc43)[C@H]2C1 ZINC000549578749 564598796 /nfs/dbraw/zinc/59/87/96/564598796.db2.gz LSWHEAWTHJPKIK-JKSUJKDBSA-N 1 0 377.286 2.692 20 0 GFADRO CCN(CCC[NH+](C)C)S(=O)(=O)c1cc(Br)c(F)cc1OC ZINC000572542584 564599552 /nfs/dbraw/zinc/59/95/52/564599552.db2.gz GEGXOGSYAZXWJJ-UHFFFAOYSA-N 1 0 397.310 2.559 20 0 GFADRO O[C@H](C[NH2+][C@@H]1CCO[C@@H](C2CC2)C1)COc1cc(F)cc(Br)c1 ZINC000572632724 564603704 /nfs/dbraw/zinc/60/37/04/564603704.db2.gz PCTXZNHTDQDLSP-BFYDXBDKSA-N 1 0 388.277 2.875 20 0 GFADRO COCCC(=O)N1CCC([NH2+][C@@H]2CCc3cccc(Br)c3C2)CC1 ZINC000549780373 564605121 /nfs/dbraw/zinc/60/51/21/564605121.db2.gz MNZNGKJQPHNKID-MRXNPFEDSA-N 1 0 395.341 2.924 20 0 GFADRO OCC[N@@H+](Cc1ccc(Br)s1)C[C@H](O)COc1ccccc1 ZINC000485111889 564606773 /nfs/dbraw/zinc/60/67/73/564606773.db2.gz CKYQFUHLAGNGLH-ZDUSSCGKSA-N 1 0 386.311 2.745 20 0 GFADRO Cc1cc(C(=O)NC[C@@H]2C[NH2+]CCCO2)nn1-c1ccc(Cl)c(Cl)c1 ZINC000520565541 564607656 /nfs/dbraw/zinc/60/76/56/564607656.db2.gz GKDGGMQSALNCMY-ZDUSSCGKSA-N 1 0 383.279 2.596 20 0 GFADRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)NCc2ccc(Cl)cc2Cl)C1 ZINC000549913116 564608771 /nfs/dbraw/zinc/60/87/71/564608771.db2.gz WNJJLBXTMJXLFH-CZUORRHYSA-N 1 0 384.307 2.552 20 0 GFADRO C[C@@H]([NH2+]C[C@@H](O)COC[C@@H]1CCCO1)c1ccc(Br)cc1F ZINC000520649961 564609133 /nfs/dbraw/zinc/60/91/33/564609133.db2.gz DFMPGDFXFQJWFH-BNOWGMLFSA-N 1 0 376.266 2.795 20 0 GFADRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccccc2S(=O)(=O)NC(C)(C)C)[C@@H]1SC ZINC000485213361 564609778 /nfs/dbraw/zinc/60/97/78/564609778.db2.gz RZSWCAQFAVNPHE-UXLLHSPISA-N 1 0 386.583 2.762 20 0 GFADRO C[C@@H](O)[C@@H]1CCCC[N@@H+]1CC(=O)N(C)CCOc1ccc(Br)cc1 ZINC000520747173 564612140 /nfs/dbraw/zinc/61/21/40/564612140.db2.gz OOHBKULRYAZRJY-PBHICJAKSA-N 1 0 399.329 2.522 20 0 GFADRO O=C(CCCc1cc(Cl)sc1Cl)Nc1nc(N2CC[NH2+]CC2)n[nH]1 ZINC000572840195 564612542 /nfs/dbraw/zinc/61/25/42/564612542.db2.gz VSPIBRPVENAOPE-UHFFFAOYSA-N 1 0 389.312 2.544 20 0 GFADRO CC[N@H+](CC(=O)NC[C@H](CO)Cc1ccc(C)c(Br)c1)C1CC1 ZINC000456504830 564614116 /nfs/dbraw/zinc/61/41/16/564614116.db2.gz USNQGRWXABVNFQ-OAHLLOKOSA-N 1 0 383.330 2.509 20 0 GFADRO CC[NH+](CC)CCN(Cc1cccs1)S(=O)(=O)c1c(Cl)cnn1C ZINC000485438944 564615844 /nfs/dbraw/zinc/61/58/44/564615844.db2.gz QPQOCYFIHOQOLS-UHFFFAOYSA-N 1 0 390.962 2.668 20 0 GFADRO O=C(Nc1ccccc1I)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000572941168 564616592 /nfs/dbraw/zinc/61/65/92/564616592.db2.gz MWUJRANYMWFJEQ-OAHLLOKOSA-N 1 0 385.249 2.899 20 0 GFADRO C[C@@H](NC(=O)NC[C@H]1CCCC[N@@H+]1C1CC1)c1ncc(Br)cn1 ZINC000520945618 564616839 /nfs/dbraw/zinc/61/68/39/564616839.db2.gz RIEKSJCEGIIWFC-BXUZGUMPSA-N 1 0 382.306 2.616 20 0 GFADRO CC(C)c1noc(CCC[NH2+]C[C@@H](O)COc2ccc(Br)cc2)n1 ZINC000521029855 564617580 /nfs/dbraw/zinc/61/75/80/564617580.db2.gz WJYSIZOCYMMEHG-CQSZACIVSA-N 1 0 398.301 2.918 20 0 GFADRO Ic1cnc(NC[C@@H](c2ccco2)[NH+]2CCCC2)nc1 ZINC000521060618 564618214 /nfs/dbraw/zinc/61/82/14/564618214.db2.gz CXUXADPYGWJVCP-LBPRGKRZSA-N 1 0 384.221 2.923 20 0 GFADRO COc1cc[nH+]c(N2CCN(C(=O)c3cccc(F)c3Br)CC2)c1 ZINC000521076381 564618913 /nfs/dbraw/zinc/61/89/13/564618913.db2.gz SKUVYSKDWGGGLR-UHFFFAOYSA-N 1 0 394.244 2.954 20 0 GFADRO CC[N@H+](C)CCNS(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000521085703 564619161 /nfs/dbraw/zinc/61/91/61/564619161.db2.gz ZICVSHKNVUTIIT-UHFFFAOYSA-N 1 0 378.338 2.954 20 0 GFADRO CCCCO[C@@H](C)C(=O)Nc1cc(Br)cnc1N1CCN(C)CC1 ZINC000456588779 564619619 /nfs/dbraw/zinc/61/96/19/564619619.db2.gz NVFALGPPMRCOBB-ZDUSSCGKSA-N 1 0 399.333 2.740 20 0 GFADRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(OC)c(O)cc2Br)[C@@H]1n1cccn1 ZINC000550327268 564621094 /nfs/dbraw/zinc/62/10/94/564621094.db2.gz TYJLVXAHTRTRBL-XYPHTWIQSA-N 1 0 396.285 2.868 20 0 GFADRO Cc1ccc(Br)cc1C(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000485629531 564621164 /nfs/dbraw/zinc/62/11/64/564621164.db2.gz TUXQNXUPRUMUBO-QAPCUYQASA-N 1 0 394.357 2.856 20 0 GFADRO C[C@@H]1CSc2ccc(Br)cc2[C@@H]1NC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000573092205 564622360 /nfs/dbraw/zinc/62/23/60/564622360.db2.gz HKGLSQHTVDTGAR-DLZJWTSESA-N 1 0 382.327 2.749 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]1C1CCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)CC1 ZINC000573090158 564622420 /nfs/dbraw/zinc/62/24/20/564622420.db2.gz SRDDNYRALNEBPZ-CVEARBPZSA-N 1 0 393.336 2.651 20 0 GFADRO CN(Cc1c(Cl)cccc1Cl)C(=O)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000550376432 564622457 /nfs/dbraw/zinc/62/24/57/564622457.db2.gz FSFVRNYAWNKVNJ-UHFFFAOYSA-N 1 0 386.323 2.942 20 0 GFADRO CC[C@H](NC(=O)CN1CC[NH+](CC)CC1)c1cc(F)cc(Br)c1 ZINC000485685633 564623040 /nfs/dbraw/zinc/62/30/40/564623040.db2.gz UIMBHFHHLVAWLK-INIZCTEOSA-N 1 0 386.309 2.793 20 0 GFADRO C[C@H]1Cc2cc(S(=O)(=O)N3CCC([C@@H]4CC[NH2+]C4)CC3)cc(Cl)c2O1 ZINC000573119693 564623224 /nfs/dbraw/zinc/62/32/24/564623224.db2.gz JWWKEKLXMUEDJA-GXTWGEPZSA-N 1 0 384.929 2.674 20 0 GFADRO Cc1c(Br)cccc1C[C@@H](CO)CNC(=O)CC1CC[NH+](C)CC1 ZINC000456704337 564625411 /nfs/dbraw/zinc/62/54/11/564625411.db2.gz ALNWJZBAYSOQDH-MRXNPFEDSA-N 1 0 397.357 2.757 20 0 GFADRO Cc1nccn1CC(=O)NC1(c2ccc(Br)cc2)CCOCC1 ZINC000573181929 564626648 /nfs/dbraw/zinc/62/66/48/564626648.db2.gz ASPDTOCFPDFSBS-UHFFFAOYSA-N 1 0 378.270 2.776 20 0 GFADRO CC[NH+](CC)[C@H](CNC(=O)C(=O)NC[C@H]1CCCCS1)c1ccsc1 ZINC000550636869 564628023 /nfs/dbraw/zinc/62/80/23/564628023.db2.gz PQEIVEZGVMWWBF-HZPDHXFCSA-N 1 0 383.583 2.649 20 0 GFADRO CCC(=O)N[C@@H](CCSC)C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000485858371 564628236 /nfs/dbraw/zinc/62/82/36/564628236.db2.gz XHERHRJVZUTHHU-ZDUSSCGKSA-N 1 0 377.432 2.751 20 0 GFADRO O=C(NCC[NH+]1CCCCC1)c1ccc(I)c(F)c1 ZINC000521475031 564628421 /nfs/dbraw/zinc/62/84/21/564628421.db2.gz NJOGNIGAJXMWLJ-UHFFFAOYSA-N 1 0 376.213 2.646 20 0 GFADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)c2cc(Cl)c(F)cc2Cl)CC1 ZINC000550692736 564628640 /nfs/dbraw/zinc/62/86/40/564628640.db2.gz PDRSGJFBEJITCJ-UHFFFAOYSA-N 1 0 390.286 2.759 20 0 GFADRO Cc1ccc(Br)cc1-c1nnc(N2CCC([NH2+]CCO)CC2)s1 ZINC000573260951 564630200 /nfs/dbraw/zinc/63/02/00/564630200.db2.gz UKMWUSQHUYEECR-UHFFFAOYSA-N 1 0 397.342 2.827 20 0 GFADRO Cc1c(Br)cccc1C[C@@H](CO)CNC(=O)[C@H]1CCC[N@@H+]1C1CC1 ZINC000456726974 564630213 /nfs/dbraw/zinc/63/02/13/564630213.db2.gz RJXDWRRINKVCPA-RDTXWAMCSA-N 1 0 395.341 2.652 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)NCCNc2ncc(C(F)(F)F)cc2Cl)C1 ZINC000521587444 564631157 /nfs/dbraw/zinc/63/11/57/564631157.db2.gz WYIAHXCBAUHHGR-ZJUUUORDSA-N 1 0 379.814 2.544 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CC[NH2+]C[C@H](O)COCC(C)C ZINC000573317474 564632838 /nfs/dbraw/zinc/63/28/38/564632838.db2.gz JSNKDAKSVITZMQ-HNNXBMFYSA-N 1 0 387.318 2.709 20 0 GFADRO C[C@@H](NC(=O)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1)c1ccc(Br)cc1 ZINC000573343244 564633812 /nfs/dbraw/zinc/63/38/12/564633812.db2.gz JQUIMYAOZLCENC-DAXOMENPSA-N 1 0 396.329 2.615 20 0 GFADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@H](C)[C@@H](O)Cc1ccccc1 ZINC000550940696 564633991 /nfs/dbraw/zinc/63/39/91/564633991.db2.gz VUANDEIUIAYWTE-CPUCHLNUSA-N 1 0 379.298 2.581 20 0 GFADRO O=C(NCCCC[NH+]1CCOCC1)N[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000521684208 564634012 /nfs/dbraw/zinc/63/40/12/564634012.db2.gz SAZXVTHDACAWKV-DLBZAZTESA-N 1 0 396.329 2.717 20 0 GFADRO CS(=O)(=O)CC1CCC([NH2+]Cc2cccnc2OCC(F)(F)F)CC1 ZINC000551001361 564635049 /nfs/dbraw/zinc/63/50/49/564635049.db2.gz PRQWLQZPSFJNQE-UHFFFAOYSA-N 1 0 380.432 2.716 20 0 GFADRO C[C@@H](CNS(=O)(=O)c1cccc(OC(F)(F)F)c1)[NH+]1CCC(C)CC1 ZINC000521707084 564635159 /nfs/dbraw/zinc/63/51/59/564635159.db2.gz PGTOBKUNEBOJTN-ZDUSSCGKSA-N 1 0 380.432 2.984 20 0 GFADRO CC(C)[NH2+]CCCNC(=O)C(=O)N1CCC[C@@H]1c1ccc(Br)cc1 ZINC000521844899 564636603 /nfs/dbraw/zinc/63/66/03/564636603.db2.gz ZNZJXQGXYVSWSS-MRXNPFEDSA-N 1 0 396.329 2.617 20 0 GFADRO CC[NH+]1CCN(CC(C)(C)NC(=O)c2cc(C)ccc2Br)CC1 ZINC000456876903 564636773 /nfs/dbraw/zinc/63/67/73/564636773.db2.gz BTAWKXIYWHYHKQ-UHFFFAOYSA-N 1 0 382.346 2.903 20 0 GFADRO CC[NH+]1CCN(CC(C)(C)NC(=O)c2ccc(Br)cc2F)CC1 ZINC000456876856 564636869 /nfs/dbraw/zinc/63/68/69/564636869.db2.gz BOFLBXKMGAXDHM-UHFFFAOYSA-N 1 0 386.309 2.734 20 0 GFADRO COCCO[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CCc2c1c(Br)ccc2F ZINC000486068581 564637827 /nfs/dbraw/zinc/63/78/27/564637827.db2.gz ZACHTHPZQDJKCI-ARFHVFGLSA-N 1 0 388.277 2.986 20 0 GFADRO [NH3+]C[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2Br)C1 ZINC000573488293 564640881 /nfs/dbraw/zinc/64/08/81/564640881.db2.gz PTGFHILHCCMBNP-JTQLQIEISA-N 1 0 381.723 2.603 20 0 GFADRO C[NH+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCN(c2cc(Cl)ccc2Cl)C1=O ZINC000486202214 564642873 /nfs/dbraw/zinc/64/28/73/564642873.db2.gz BMQAHCJWVSVHHA-KBPBESRZSA-N 1 0 384.307 2.899 20 0 GFADRO C[C@@H]1C[C@@H]([NH2+]Cc2cc(C(F)(F)F)cc(S(C)(=O)=O)c2)CN1C1CC1 ZINC000551231525 564643612 /nfs/dbraw/zinc/64/36/12/564643612.db2.gz OWSKNWZOIHXGMA-BXUZGUMPSA-N 1 0 376.444 2.824 20 0 GFADRO CC1(C)CCC[N@@H+]1CCNC(=O)Cc1ccc(I)cc1 ZINC000457052192 564644988 /nfs/dbraw/zinc/64/49/88/564644988.db2.gz ISZZLECHSIERHH-UHFFFAOYSA-N 1 0 386.277 2.824 20 0 GFADRO COCC[N@@H+]1CCCN(C(=O)c2ccnc(SCC(F)(F)F)c2)CC1 ZINC000522150499 564645661 /nfs/dbraw/zinc/64/56/61/564645661.db2.gz DXEIOSBSAAAYIH-UHFFFAOYSA-N 1 0 377.432 2.530 20 0 GFADRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)[C@H](C)NC(=O)c2ccc(Br)cc2)C1 ZINC000457089970 564645927 /nfs/dbraw/zinc/64/59/27/564645927.db2.gz UJQYTKAABGYZJL-BBRMVZONSA-N 1 0 396.329 2.509 20 0 GFADRO CC[NH+]1CCC(NC(=O)C(=O)Nc2cc(Br)c(C)cc2C)CC1 ZINC000486366562 564649484 /nfs/dbraw/zinc/64/94/84/564649484.db2.gz DEEIVHSJXZXVQB-UHFFFAOYSA-N 1 0 382.302 2.605 20 0 GFADRO O=C(Nc1cnn(-c2ccccc2Br)c1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000573693960 564649600 /nfs/dbraw/zinc/64/96/00/564649600.db2.gz AUXJRKMWYLOOIX-BETUJISGSA-N 1 0 390.285 2.993 20 0 GFADRO CCCc1nc(C)c(NC(=O)C(=O)NC[C@@H](c2cccs2)[NH+](C)C)s1 ZINC000486397544 564650280 /nfs/dbraw/zinc/65/02/80/564650280.db2.gz HHGCKJJEURPULW-LBPRGKRZSA-N 1 0 380.539 2.823 20 0 GFADRO Cc1cc(Br)cc(NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)c1 ZINC000486402995 564651509 /nfs/dbraw/zinc/65/15/09/564651509.db2.gz HJKJFSKSPZWCME-AWEZNQCLSA-N 1 0 394.313 2.829 20 0 GFADRO C[C@@H]1CN(C(=O)NCCNc2ncc(Cl)cc2Cl)CC[N@@H+](C2CC2)C1 ZINC000573803247 564655306 /nfs/dbraw/zinc/65/53/06/564655306.db2.gz HALWOYXBZNNIFU-LBPRGKRZSA-N 1 0 386.327 2.926 20 0 GFADRO C[N@H+](CC(=O)N1CCC[C@@H]1c1ccc(Br)cn1)[C@@H]1CCSC1 ZINC000457320928 564656207 /nfs/dbraw/zinc/65/62/07/564656207.db2.gz AZLAKURZMBFYGH-UKRRQHHQSA-N 1 0 384.343 2.945 20 0 GFADRO CC[NH+](CC)CCS(=O)(=O)N[C@@H](C)Cc1cccc(Br)c1 ZINC000573847768 564657334 /nfs/dbraw/zinc/65/73/34/564657334.db2.gz YLDRZCZMWSABGP-ZDUSSCGKSA-N 1 0 377.348 2.641 20 0 GFADRO C[NH+]1CCN(C[C@H](NC(=O)c2ccoc2Br)c2ccccc2)CC1 ZINC000573862723 564658170 /nfs/dbraw/zinc/65/81/70/564658170.db2.gz LXFKWSJDXZBTIE-INIZCTEOSA-N 1 0 392.297 2.761 20 0 GFADRO COCC[C@@H](Cc1cccc(Br)c1)C(=O)N1CCC[C@@H]([NH3+])[C@H]1C ZINC000457357722 564658399 /nfs/dbraw/zinc/65/83/99/564658399.db2.gz JQMHBARKLXUENR-UKPHBRMFSA-N 1 0 383.330 2.983 20 0 GFADRO C[NH+](C)C[C@H](CNC(=O)C1CN(CC(F)(F)F)C1)c1ccc(Cl)cc1 ZINC000573927126 564660857 /nfs/dbraw/zinc/66/08/57/564660857.db2.gz LEHOAPQTAWRWTO-ZDUSSCGKSA-N 1 0 377.838 2.596 20 0 GFADRO C[C@H](NC(=O)NC[C@H]1CCCC[N@@H+]1CCO)c1ccc(Br)cc1 ZINC000457447409 564661577 /nfs/dbraw/zinc/66/15/77/564661577.db2.gz FJLSCLIGZFCOBO-XJKSGUPXSA-N 1 0 384.318 2.656 20 0 GFADRO Cc1nn(C)c(C)c1NC(=O)C[NH2+][C@H](c1cncc(Br)c1)C1CC1 ZINC000551719222 564661715 /nfs/dbraw/zinc/66/17/15/564661715.db2.gz RZJITQCDWWLYLL-KRWDZBQOSA-N 1 0 392.301 2.874 20 0 GFADRO Cc1cc(Br)cc(C)c1S(=O)(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000486668938 564661961 /nfs/dbraw/zinc/66/19/61/564661961.db2.gz CEWJBFCPFGKCJT-DZGCQCFKSA-N 1 0 387.343 2.781 20 0 GFADRO Cc1cccc(C[C@H](CO)[NH2+]C[C@@H](O)COc2cccc(Br)c2)c1 ZINC000573966877 564662846 /nfs/dbraw/zinc/66/28/46/564662846.db2.gz ODIUVGIQYRNJOE-QZTJIDSGSA-N 1 0 394.309 2.690 20 0 GFADRO C[C@@H](NC(=O)N[C@H](C[NH+](C)C)c1ccccc1)c1ncc(Br)cn1 ZINC000457526678 564664384 /nfs/dbraw/zinc/66/43/84/564664384.db2.gz KEYJWNHEYJRCOR-IUODEOHRSA-N 1 0 392.301 2.902 20 0 GFADRO C[NH+](C)C1CCN(C(=O)c2cn(Cc3ccc(Cl)cc3Cl)nn2)CC1 ZINC000457561590 564665459 /nfs/dbraw/zinc/66/54/59/564665459.db2.gz BMOOZRLGLNCINA-UHFFFAOYSA-N 1 0 382.295 2.799 20 0 GFADRO CN(C(=O)c1cn(Cc2ccc(Cl)cc2Cl)nn1)[C@H]1CCC[N@H+](C)C1 ZINC000457593554 564666627 /nfs/dbraw/zinc/66/66/27/564666627.db2.gz HPMRYSOKIHMZAG-AWEZNQCLSA-N 1 0 382.295 2.799 20 0 GFADRO CC(C)OC[C@@H](O)C[NH2+]C1CCN(Cc2ccc(Br)cc2)CC1 ZINC000574071834 564666948 /nfs/dbraw/zinc/66/69/48/564666948.db2.gz MMSDFGBQJBBKNC-SFHVURJKSA-N 1 0 385.346 2.789 20 0 GFADRO Cc1cccc(CN(CC[NH+](C)C)C(=O)NCc2n[nH]cc2Br)c1 ZINC000523433659 564667589 /nfs/dbraw/zinc/66/75/89/564667589.db2.gz ZENFTAWDWMITPF-UHFFFAOYSA-N 1 0 394.317 2.754 20 0 GFADRO C[C@@H](C[NH2+][C@H](c1cccc(Br)c1)C1CCOCC1)S(C)(=O)=O ZINC000574097366 564667916 /nfs/dbraw/zinc/66/79/16/564667916.db2.gz XNJDJHUAUYDAJS-LRDDRELGSA-N 1 0 390.343 2.940 20 0 GFADRO CC[NH+](CC)CC[C@H](CO)NC(=O)CCc1cc(Br)cs1 ZINC000551942027 564670130 /nfs/dbraw/zinc/67/01/30/564670130.db2.gz HIAOYNUHTCHIOM-CYBMUJFWSA-N 1 0 377.348 2.652 20 0 GFADRO Clc1snnc1CN1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000552017826 564673547 /nfs/dbraw/zinc/67/35/47/564673547.db2.gz ZVCMJCHETIGSBZ-MRXNPFEDSA-N 1 0 377.945 2.584 20 0 GFADRO C[C@@H](Oc1cc(Cl)cc(Cl)c1)C(=O)NC[C@H](O)C[NH+]1CCC(C)CC1 ZINC000523871085 564673938 /nfs/dbraw/zinc/67/39/38/564673938.db2.gz SJAHDCZZTJQVFF-CJNGLKHVSA-N 1 0 389.323 2.970 20 0 GFADRO CSc1cc(C(=O)NC[C@]2(O)C[NH+]3CCC2CC3)c(Cl)cc1Cl ZINC000552027155 564674556 /nfs/dbraw/zinc/67/45/56/564674556.db2.gz YKHXCIJUYHJKHS-INIZCTEOSA-N 1 0 375.321 2.902 20 0 GFADRO COCC[N@H+](C)CCCNC(=O)N1CCC[C@H]1c1ccc(Br)cn1 ZINC000457825697 564674815 /nfs/dbraw/zinc/67/48/15/564674815.db2.gz ZDHMAYFQHVBQIY-INIZCTEOSA-N 1 0 399.333 2.659 20 0 GFADRO CC[NH+]1CCN(c2ccc(C(=O)Nc3n[nH]cc3Br)cc2)CC1 ZINC000552061043 564675002 /nfs/dbraw/zinc/67/50/02/564675002.db2.gz XECHDCQRRRQUSH-UHFFFAOYSA-N 1 0 378.274 2.566 20 0 GFADRO CC[C@H](C(=O)N[C@@H]1CCO[C@H]1c1cncc(Br)c1)[NH+](CC)CC ZINC000457835920 564675319 /nfs/dbraw/zinc/67/53/19/564675319.db2.gz VUQIYVVTYDXHBC-OAGGEKHMSA-N 1 0 384.318 2.911 20 0 GFADRO O=C(CNCc1cc(Br)ccc1F)NCC[NH+]1CCCCCC1 ZINC000552064695 564675297 /nfs/dbraw/zinc/67/52/97/564675297.db2.gz IRIOOVICMZYGIL-UHFFFAOYSA-N 1 0 386.309 2.670 20 0 GFADRO O=C(N[C@H](CO)c1cccc(Br)c1)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000487144661 564677254 /nfs/dbraw/zinc/67/72/54/564677254.db2.gz HGDSRAYCMTWTKY-DOTOQJQBSA-N 1 0 396.329 2.799 20 0 GFADRO Brc1csc(-c2noc(-c3cn([C@H]4CCC[NH2+]C4)nn3)n2)c1 ZINC000574511361 564677497 /nfs/dbraw/zinc/67/74/97/564677497.db2.gz JUOKOCZFLCHNEP-VIFPVBQESA-N 1 0 381.259 2.744 20 0 GFADRO Cn1nccc1C1=CC[N@H+](C[C@@H](O)COc2ccc(Br)cc2)CC1 ZINC000552123636 564677855 /nfs/dbraw/zinc/67/78/55/564677855.db2.gz SRYHXUFZPORRKQ-MRXNPFEDSA-N 1 0 392.297 2.712 20 0 GFADRO Cc1sc(NC(=O)C(=O)NC[C@@H](c2cccs2)[NH+](C)C)nc1C(C)C ZINC000574531464 564678390 /nfs/dbraw/zinc/67/83/90/564678390.db2.gz DDUUUFWVLUASNZ-LBPRGKRZSA-N 1 0 380.539 2.994 20 0 GFADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)NCCOc1cccc(Cl)c1Cl ZINC000524264730 564678872 /nfs/dbraw/zinc/67/88/72/564678872.db2.gz FOKNTODIVKXFMQ-CYBMUJFWSA-N 1 0 390.311 2.782 20 0 GFADRO OC[C@]1([C@H]([NH2+]Cc2cc(Br)cc3c2OCC3)C2CC2)CCCO1 ZINC000552147099 564679359 /nfs/dbraw/zinc/67/93/59/564679359.db2.gz LTZVRYZBJNTQGW-MSOLQXFVSA-N 1 0 382.298 2.794 20 0 GFADRO Cn1ncc(Br)c1C[NH2+]C[C@H]1CSCCN1Cc1ccccc1 ZINC000487211670 564679506 /nfs/dbraw/zinc/67/95/06/564679506.db2.gz WVYQXSQBKQGLLQ-HNNXBMFYSA-N 1 0 395.370 2.890 20 0 GFADRO C[C@H]([NH2+]C[C@H](O)COc1cccc(Br)c1)[C@@H](O)Cc1ccccc1 ZINC000574638377 564682480 /nfs/dbraw/zinc/68/24/80/564682480.db2.gz QUYLOIKDGBMMRA-FNHZYXHNSA-N 1 0 394.309 2.771 20 0 GFADRO C[C@@H]1C[NH2+]CC[C@H]1NS(=O)(=O)c1ccc2ccccc2c1Br ZINC000574637601 564682762 /nfs/dbraw/zinc/68/27/62/564682762.db2.gz FONVXIXEANQSFS-BXUZGUMPSA-N 1 0 383.311 2.879 20 0 GFADRO CN(C)CC[N@H+](C)CCCNC(=O)C1(c2ccc(Br)cc2)CCC1 ZINC000574673954 564684133 /nfs/dbraw/zinc/68/41/33/564684133.db2.gz MHOBOTYQUMZFHF-UHFFFAOYSA-N 1 0 396.373 2.871 20 0 GFADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)CNC(=O)c2ccc(Cl)cc2Cl)C1 ZINC000524715533 564685336 /nfs/dbraw/zinc/68/53/36/564685336.db2.gz HOELWPMQKLJWME-ZDUSSCGKSA-N 1 0 386.323 2.914 20 0 GFADRO Nc1nccc([C@@H]2CCCN(Cc3cn4ccc(Br)cc4n3)C2)n1 ZINC000574732270 564686562 /nfs/dbraw/zinc/68/65/62/564686562.db2.gz NVWPNQHNIGLBMJ-GFCCVEGCSA-N 1 0 387.285 2.849 20 0 GFADRO C[C@H](CNC(=O)N(C1CC1)[C@H]1CC[NH2+]C1)Oc1ccccc1Br ZINC000574974689 564689667 /nfs/dbraw/zinc/68/96/67/564689667.db2.gz JRBGXLLOKYNNKH-OCCSQVGLSA-N 1 0 382.302 2.752 20 0 GFADRO O=C(NCC1CC[NH2+]CC1)C(=O)Nc1ccc(-c2ccc(Cl)s2)nc1 ZINC000574972800 564690110 /nfs/dbraw/zinc/69/01/10/564690110.db2.gz JYONCSJMOKGXHN-UHFFFAOYSA-N 1 0 378.885 2.518 20 0 GFADRO C[C@@H](CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1)c1c(Cl)cccc1Cl ZINC000552471653 564692550 /nfs/dbraw/zinc/69/25/50/564692550.db2.gz SABWZVDIXXDZOZ-NWDGAFQWSA-N 1 0 384.307 2.566 20 0 GFADRO Cc1cc(Br)c(CN[C@@H]2CCS(=O)(=O)C2)cc1Br ZINC000527632774 564752054 /nfs/dbraw/zinc/75/20/54/564752054.db2.gz WDNMBXJFCGTHAW-SNVBAGLBSA-N 1 0 397.132 2.797 20 0 GFADRO O=C(N[C@H]1CCc2c1cccc2Br)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000458241974 564695523 /nfs/dbraw/zinc/69/55/23/564695523.db2.gz ASOGMJXRVXCKEQ-DYVFJYSZSA-N 1 0 396.329 2.582 20 0 GFADRO CC[C@@H](C)[N@H+](C)CCNC(=O)NCc1nc2c(cccc2Br)[nH]1 ZINC000458238043 564695613 /nfs/dbraw/zinc/69/56/13/564695613.db2.gz LKTXIJITPDHOBC-LLVKDONJSA-N 1 0 382.306 2.855 20 0 GFADRO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1Br ZINC000575311521 564695928 /nfs/dbraw/zinc/69/59/28/564695928.db2.gz KPYJPJZCKHCYII-YUMQZZPRSA-N 1 0 396.207 2.648 20 0 GFADRO C[NH+](C)C1(CNC(=O)N[C@H](CO)c2cccc(Br)c2)CCCC1 ZINC000487902437 564698823 /nfs/dbraw/zinc/69/88/23/564698823.db2.gz YWOFUDNGFAOZLO-OAHLLOKOSA-N 1 0 384.318 2.656 20 0 GFADRO COc1cc(Br)ccc1CNC(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000487944540 564699852 /nfs/dbraw/zinc/69/98/52/564699852.db2.gz JIHOTAHWMWPTRR-CYBMUJFWSA-N 1 0 384.318 2.989 20 0 GFADRO COCCOc1ccc(Br)cc1NC(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000576010363 564704856 /nfs/dbraw/zinc/70/48/56/564704856.db2.gz JUSUDLKJYPLSED-QWHCGFSZSA-N 1 0 398.301 2.548 20 0 GFADRO Cc1ccccc1OC[C@@H](O)C[N@H+](CCO)Cc1cccc(Br)c1 ZINC000488213932 564707526 /nfs/dbraw/zinc/70/75/26/564707526.db2.gz DEGUUGWWYHKHLL-SFHVURJKSA-N 1 0 394.309 2.992 20 0 GFADRO O=C(Nc1cc(-c2ccc(Br)s2)[nH]n1)[C@H]1CC12CC[NH2+]CC2 ZINC000576223760 564708500 /nfs/dbraw/zinc/70/85/00/564708500.db2.gz LYQQFZDWIHTILM-SECBINFHSA-N 1 0 381.299 3.229 20 0 GFADRO C[C@@H]1CC[N@H+](CCNC(=O)[C@H]2CC(=O)N(c3cc(Cl)cc(Cl)c3)C2)C1 ZINC000525805340 564708964 /nfs/dbraw/zinc/70/89/64/564708964.db2.gz SINGFYCHAWDZQA-OLZOCXBDSA-N 1 0 384.307 2.804 20 0 GFADRO Cc1nccc(NC(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)c1Br ZINC000525847228 564710035 /nfs/dbraw/zinc/71/00/35/564710035.db2.gz OTZKJDOLXIEICA-OAHLLOKOSA-N 1 0 391.313 2.869 20 0 GFADRO OC[C@@H](C[NH2+]C[C@@H](O)COc1ccc(Br)cc1)Cc1ccccc1 ZINC000576279906 564710902 /nfs/dbraw/zinc/71/09/02/564710902.db2.gz KDMGUSIKXBOAAP-SJLPKXTDSA-N 1 0 394.309 2.630 20 0 GFADRO O=C(CC[NH2+][C@H]1CCO[C@@]2(CCOC2)C1)Nc1ccc(Br)cc1 ZINC000576272506 564711224 /nfs/dbraw/zinc/71/12/24/564711224.db2.gz ZXYWALKBQVNGOO-RDJZCZTQSA-N 1 0 383.286 2.705 20 0 GFADRO C[NH+](C)CC(C)(C)NC(=O)N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000458686881 564711843 /nfs/dbraw/zinc/71/18/43/564711843.db2.gz HVTAOEJSBLWIMW-ZDUSSCGKSA-N 1 0 387.311 2.738 20 0 GFADRO CC[NH+](CC)CCN(C(=O)Cn1cc(C)cn1)c1ccc(Br)cn1 ZINC000576283145 564712113 /nfs/dbraw/zinc/71/21/13/564712113.db2.gz DYQQZODGJUQFSY-UHFFFAOYSA-N 1 0 394.317 2.724 20 0 GFADRO C[C@@H](Cn1cc(Br)cn1)[NH2+][C@@H]1CCCN(C2CCCCC2)C1=O ZINC000525954687 564713910 /nfs/dbraw/zinc/71/39/10/564713910.db2.gz RQXBTSHEITUSQZ-XJKSGUPXSA-N 1 0 383.334 2.947 20 0 GFADRO CS[C@H]1CN(CC(=O)Nc2nc(-c3cccs3)cs2)C[C@@H]1[NH+](C)C ZINC000553314829 564715717 /nfs/dbraw/zinc/71/57/17/564715717.db2.gz BGHDTOMYGNJMTG-JSGCOSHPSA-N 1 0 382.580 2.788 20 0 GFADRO C[C@]1(CNC(=O)c2nn(-c3ccc(F)cc3)cc2Br)CCC[NH2+]C1 ZINC000576745159 564718229 /nfs/dbraw/zinc/71/82/29/564718229.db2.gz MHTPWGDIXCKGEY-KRWDZBQOSA-N 1 0 395.276 2.893 20 0 GFADRO CCN(CCC[NH+](C)C)C(=O)c1cccc(F)c1I ZINC000526067330 564719233 /nfs/dbraw/zinc/71/92/33/564719233.db2.gz JSAKJDJUPDZJIA-UHFFFAOYSA-N 1 0 378.229 2.844 20 0 GFADRO COCCCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cc(C)c(F)cc1Cl ZINC000576791949 564719287 /nfs/dbraw/zinc/71/92/87/564719287.db2.gz FYJQKFWJNLOBBY-UHFFFAOYSA-N 1 0 392.924 2.909 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@H](NS(=O)(=O)Cc2cccc(Br)c2)C1 ZINC000553430778 564720240 /nfs/dbraw/zinc/72/02/40/564720240.db2.gz LNOZZQMWRDNQFX-LSDHHAIUSA-N 1 0 375.332 2.741 20 0 GFADRO O=C(Nc1ccc(Br)cn1)[C@@H]1CCC[N@H+](CC[C@H]2CCOC2)C1 ZINC000526114157 564720954 /nfs/dbraw/zinc/72/09/54/564720954.db2.gz YVUJZYGARCKRDH-UONOGXRCSA-N 1 0 382.302 2.921 20 0 GFADRO CC[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2cc(Br)c(F)cc2F)C1 ZINC000488832019 564721793 /nfs/dbraw/zinc/72/17/93/564721793.db2.gz XYUDJQWDRMQBCK-JTQLQIEISA-N 1 0 397.285 2.738 20 0 GFADRO CCC[C@@H](C)[C@@H](CO)[NH2+]CC(=O)Nc1ccccc1I ZINC000576947048 564721834 /nfs/dbraw/zinc/72/18/34/564721834.db2.gz HRXLGWPFOFGPOH-BXUZGUMPSA-N 1 0 390.265 2.616 20 0 GFADRO C[C@@H]1CCC[N@H+](CCNS(=O)(=O)c2cc(Br)c(F)cc2F)C1 ZINC000488886685 564723415 /nfs/dbraw/zinc/72/34/15/564723415.db2.gz AMROTLCZYRPLRF-SNVBAGLBSA-N 1 0 397.285 2.738 20 0 GFADRO C[C@@H]1[C@H](C)[S@@](=O)CCN1C(=O)N[C@H]1CCN(C)[C@H]1c1ccc(Cl)cc1 ZINC000526976075 564724668 /nfs/dbraw/zinc/72/46/68/564724668.db2.gz HTYKLQIMBRGMGT-IRLLGDCLSA-N 1 0 383.945 2.636 20 0 GFADRO CN(C(=O)Cc1ccc(I)cc1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000489034505 564727125 /nfs/dbraw/zinc/72/71/25/564727125.db2.gz BSMGKBMPDILDNH-OAHLLOKOSA-N 1 0 384.261 2.529 20 0 GFADRO COCCN(CC[NH+](C)C)C(=O)NC/C=C\c1ccc(Br)cc1 ZINC000458981432 564727309 /nfs/dbraw/zinc/72/73/09/564727309.db2.gz SUMZFRFWGFQABJ-PLNGDYQASA-N 1 0 384.318 2.682 20 0 GFADRO C[NH+](C)CC1(CNS(=O)(=O)c2cc(F)ccc2Br)CCCC1 ZINC000577169111 564727344 /nfs/dbraw/zinc/72/73/44/564727344.db2.gz NGGYRQZDNNMNAX-UHFFFAOYSA-N 1 0 393.322 2.989 20 0 GFADRO C[C@H](NC(=O)Cc1noc2ccc(Br)cc21)C1=CC[N@H+](C)CC1 ZINC000577173108 564727980 /nfs/dbraw/zinc/72/79/80/564727980.db2.gz YACOOSSIZQXALB-NSHDSACASA-N 1 0 378.270 2.899 20 0 GFADRO C[N@@H+]1CCC[C@H](CNC(=O)NCc2cc(F)c(F)cc2Br)C1 ZINC000553656692 564731153 /nfs/dbraw/zinc/73/11/53/564731153.db2.gz HSUQZGYFJAFHOK-SNVBAGLBSA-N 1 0 376.245 2.868 20 0 GFADRO C[C@H]1CCC[N@H+](CCNS(=O)(=O)c2cccc(OC(F)(F)F)c2F)C1 ZINC000489134311 564731428 /nfs/dbraw/zinc/73/14/28/564731428.db2.gz ULQPFRVVKBJWLV-NSHDSACASA-N 1 0 384.395 2.735 20 0 GFADRO C[C@@H]1CC2(CN1S(=O)(=O)c1ccc(OC(F)(F)F)cc1)CC[NH2+]CC2 ZINC000577274408 564731985 /nfs/dbraw/zinc/73/19/85/564731985.db2.gz KMFAJFPQSIVZHP-GFCCVEGCSA-N 1 0 378.416 2.738 20 0 GFADRO CN([C@H]1CCN(C2CC2)C1)S(=O)(=O)c1cccc(OC(F)(F)F)c1F ZINC000489279003 564734468 /nfs/dbraw/zinc/73/44/68/564734468.db2.gz PVGSXHBZEJJGNU-NSHDSACASA-N 1 0 382.379 2.582 20 0 GFADRO CN([C@@H]1CCN(C2CC2)C1)S(=O)(=O)c1cccc(OC(F)(F)F)c1F ZINC000489279001 564734520 /nfs/dbraw/zinc/73/45/20/564734520.db2.gz PVGSXHBZEJJGNU-LLVKDONJSA-N 1 0 382.379 2.582 20 0 GFADRO O=C(NCC[C@H]1CC[NH2+]C1)NC[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000577354674 564735212 /nfs/dbraw/zinc/73/52/12/564735212.db2.gz FXKLQGCDXNYEFV-CABCVRRESA-N 1 0 395.345 2.574 20 0 GFADRO C[N@H+](CC1CC1)C[C@@H]1CCN([C@@H](C(N)=O)c2cccc(Br)c2)C1 ZINC000489294065 564735285 /nfs/dbraw/zinc/73/52/85/564735285.db2.gz QDMDEIRKBNEHQJ-WMLDXEAASA-N 1 0 380.330 2.639 20 0 GFADRO C[C@H]1C[C@H](N(C)C(=O)NCc2nc3c(cccc3Br)[nH]2)CC[N@@H+]1C ZINC000459193828 564735366 /nfs/dbraw/zinc/73/53/66/564735366.db2.gz FXDTWKGFVQDMOD-NWDGAFQWSA-N 1 0 394.317 2.950 20 0 GFADRO CCOC(=O)c1csc(CC[NH2+]Cc2ccc3c(c2)sc(=O)n3C)n1 ZINC000527234393 564735452 /nfs/dbraw/zinc/73/54/52/564735452.db2.gz JGKNJFUABARCEA-UHFFFAOYSA-N 1 0 377.491 2.566 20 0 GFADRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)NCc1nc2c(cccc2Br)[nH]1 ZINC000459225681 564737737 /nfs/dbraw/zinc/73/77/37/564737737.db2.gz XUIYMNIFLPMSDE-SMDDNHRTSA-N 1 0 394.317 2.807 20 0 GFADRO C[C@H](CNC(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)Oc1ccccc1Br ZINC000577998781 564739068 /nfs/dbraw/zinc/73/90/68/564739068.db2.gz YFUCVNYAAMZPTC-LXTVHRRPSA-N 1 0 396.329 2.904 20 0 GFADRO C[C@H](CNC(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)Oc1ccccc1Br ZINC000577998780 564739142 /nfs/dbraw/zinc/73/91/42/564739142.db2.gz YFUCVNYAAMZPTC-KBUPBQIOSA-N 1 0 396.329 2.904 20 0 GFADRO O=C(c1ccn(-c2cccc(Br)c2)n1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000578063580 564740551 /nfs/dbraw/zinc/74/05/51/564740551.db2.gz LLPKXFDQQVAQAZ-SFHVURJKSA-N 1 0 389.297 2.851 20 0 GFADRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2S(=O)(=O)Cc2cccc(Br)c2)C1 ZINC000553872694 564742500 /nfs/dbraw/zinc/74/25/00/564742500.db2.gz ZXSYHDORCJWKKL-HOCLYGCPSA-N 1 0 387.343 2.695 20 0 GFADRO O=C(NC[C@@H]1[NH2+]CCc2ccccc21)c1cc2c(c(Br)c1)OCO2 ZINC000578349750 564743210 /nfs/dbraw/zinc/74/32/10/564743210.db2.gz OMEIDHSNBFHEOT-HNNXBMFYSA-N 1 0 389.249 2.795 20 0 GFADRO CCO[C@@H]1C[C@H]([NH2+]CCNC(=O)c2cccc(Br)c2)[C@H]1SC ZINC000459408450 564743341 /nfs/dbraw/zinc/74/33/41/564743341.db2.gz GKZFGPWYOCWRKQ-RRFJBIMHSA-N 1 0 387.343 2.678 20 0 GFADRO CCOc1cc(C[NH2+]C[C@H]2CN(C3CC3)CCO2)cc(Br)c1O ZINC000459403643 564743850 /nfs/dbraw/zinc/74/38/50/564743850.db2.gz LGHGBUJEABPTSC-AWEZNQCLSA-N 1 0 385.302 2.506 20 0 GFADRO CCO[C@@H]1C[C@@H]([NH2+]CCNC(=O)c2cccc(Br)c2)[C@@H]1SC ZINC000459408448 564743982 /nfs/dbraw/zinc/74/39/82/564743982.db2.gz GKZFGPWYOCWRKQ-KFWWJZLASA-N 1 0 387.343 2.678 20 0 GFADRO CC[NH+]1C[C@@H](C)N(CC(=O)N(C)Cc2ccccc2Br)[C@H](C)C1 ZINC000459451156 564744895 /nfs/dbraw/zinc/74/48/95/564744895.db2.gz ATDCRASPBJRJQB-HUUCEWRRSA-N 1 0 382.346 2.822 20 0 GFADRO CCn1nncc1CN(CCC(=O)OC)Cc1cccc(Br)c1 ZINC000459433828 564745151 /nfs/dbraw/zinc/74/51/51/564745151.db2.gz NZTDGCMUIRUOMO-UHFFFAOYSA-N 1 0 381.274 2.626 20 0 GFADRO C[NH+](C)CCN(Cc1ccsc1)C(=O)Nc1nnc(CC(F)(F)F)s1 ZINC000459465587 564746287 /nfs/dbraw/zinc/74/62/87/564746287.db2.gz OFGOQDYUXUMBEY-UHFFFAOYSA-N 1 0 393.460 3.300 20 0 GFADRO CCOc1cc(C[NH2+][C@@H](CCO)C2CCOCC2)cc(Br)c1O ZINC000459481659 564746928 /nfs/dbraw/zinc/74/69/28/564746928.db2.gz PPDRRGDHNYKORI-HNNXBMFYSA-N 1 0 388.302 2.821 20 0 GFADRO O=S(=O)(CC[NH2+]Cc1cscc1C(F)(F)F)NCc1ccccc1 ZINC000579339036 564747038 /nfs/dbraw/zinc/74/70/38/564747038.db2.gz KGUUHNIGYQFDTC-UHFFFAOYSA-N 1 0 378.441 2.976 20 0 GFADRO C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000579471570 564748457 /nfs/dbraw/zinc/74/84/57/564748457.db2.gz IYLIYKZLQITXBS-STQMWFEESA-N 1 0 387.307 2.975 20 0 GFADRO C[C@@H](C[NH+]1CCCCC1)NS(=O)(=O)c1cccc(OC(F)(F)F)c1F ZINC000489667581 564748678 /nfs/dbraw/zinc/74/86/78/564748678.db2.gz NYBRCFYXAKCBFR-NSHDSACASA-N 1 0 384.395 2.877 20 0 GFADRO CCOC(=O)C1(COC)CCN(Cc2cccc(O)c2Br)CC1 ZINC000459535603 564748943 /nfs/dbraw/zinc/74/89/43/564748943.db2.gz VXNXZJBOTSSIED-UHFFFAOYSA-N 1 0 386.286 2.946 20 0 GFADRO CCOc1cc(CN2CCC[C@H]2Cn2ccnn2)cc(Br)c1O ZINC000459528445 564749745 /nfs/dbraw/zinc/74/97/45/564749745.db2.gz CPKJZMANBPHTQY-ZDUSSCGKSA-N 1 0 381.274 2.810 20 0 GFADRO CC(=O)NC1CN(Cc2c(C)nn(-c3ccc(Br)cc3)c2C)C1 ZINC000459552701 564750120 /nfs/dbraw/zinc/75/01/20/564750120.db2.gz AFZQSTQHJJHSBG-UHFFFAOYSA-N 1 0 377.286 2.572 20 0 GFADRO Cc1cc(Br)c(C(=O)N2CCN(C)CC2)cc1Br ZINC000527632468 564751772 /nfs/dbraw/zinc/75/17/72/564751772.db2.gz ICVUWOYZYPZZGA-UHFFFAOYSA-N 1 0 376.092 2.908 20 0 GFADRO COCC(=O)Nc1cccc(CNCc2ncc(Br)cc2F)c1 ZINC000527634121 564752112 /nfs/dbraw/zinc/75/21/12/564752112.db2.gz LBTAQALLAYHFKV-UHFFFAOYSA-N 1 0 382.233 2.858 20 0 GFADRO CN1CCC([NH+]2CCC(NCc3ncc(Br)cc3F)CC2)CC1 ZINC000527650224 564752865 /nfs/dbraw/zinc/75/28/65/564752865.db2.gz OQMNNRXEDXFVSK-UHFFFAOYSA-N 1 0 385.325 2.631 20 0 GFADRO C[C@H](C[NH2+]Cc1c[nH]nc1-c1ccc(Br)s1)CN1CCOCC1 ZINC000527666892 564754117 /nfs/dbraw/zinc/75/41/17/564754117.db2.gz XCYOFZYPHYANJA-GFCCVEGCSA-N 1 0 399.358 2.959 20 0 GFADRO Cc1cc(C[NH2+]CC2(N3CCOCC3)CCOCC2)sc1Br ZINC000459648796 564754684 /nfs/dbraw/zinc/75/46/84/564754684.db2.gz AOIHXEXJZUMUSF-UHFFFAOYSA-N 1 0 389.359 2.790 20 0 GFADRO COCCO[C@H]1COCC[C@@H]1[NH2+]Cc1ccc(Br)c(F)c1F ZINC000527695611 564756698 /nfs/dbraw/zinc/75/66/98/564756698.db2.gz OQHUGYMHAXDSQV-STQMWFEESA-N 1 0 380.229 2.637 20 0 GFADRO CC1CCC([NH+]2CCN(C(=O)NCCn3cc(Br)cn3)CC2)CC1 ZINC000554304098 564756831 /nfs/dbraw/zinc/75/68/31/564756831.db2.gz NVJBUXWGWGBUAP-UHFFFAOYSA-N 1 0 398.349 2.552 20 0 GFADRO O=C(C[NH2+]C1(CO)CCSCC1)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000459709727 564757368 /nfs/dbraw/zinc/75/73/68/564757368.db2.gz KHKOKXNMJJFMRP-UHFFFAOYSA-N 1 0 380.844 2.728 20 0 GFADRO CC(C)NS(=O)(=O)c1cccc(C[NH2+][C@H]2CCO[C@H](C(F)(F)F)C2)c1 ZINC000554348725 564757919 /nfs/dbraw/zinc/75/79/19/564757919.db2.gz FBTLXBQPGDHLIY-ZFWWWQNUSA-N 1 0 380.432 2.573 20 0 GFADRO COc1ccc([C@H](CO)C[NH2+]Cc2cnc3ccc(Br)cn23)cc1 ZINC000459727411 564760159 /nfs/dbraw/zinc/76/01/59/564760159.db2.gz DZQYOFDDNVBHGA-AWEZNQCLSA-N 1 0 390.281 2.971 20 0 GFADRO CCN(CC(=O)NC1CC[NH+](CC)CC1)Cc1ccccc1Br ZINC000554426197 564760511 /nfs/dbraw/zinc/76/05/11/564760511.db2.gz IGZVMRVKDRNVAI-UHFFFAOYSA-N 1 0 382.346 2.872 20 0 GFADRO C[C@@H]([NH2+]CC[C@@H]1CCCOC1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000527930172 564764995 /nfs/dbraw/zinc/76/49/95/564764995.db2.gz QJUAOERVUCPOTL-NEPJUHHUSA-N 1 0 391.331 2.564 20 0 GFADRO C[C@H]([NH2+]CC[C@H]1CCCOC1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000527930173 564765050 /nfs/dbraw/zinc/76/50/50/564765050.db2.gz QJUAOERVUCPOTL-NWDGAFQWSA-N 1 0 391.331 2.564 20 0 GFADRO C[C@@H]([NH2+]C[C@@H](n1cccn1)C(F)(F)F)c1cccc(NS(C)(=O)=O)c1 ZINC000527938117 564765137 /nfs/dbraw/zinc/76/51/37/564765137.db2.gz JLKKWDQOERWMCY-BXUZGUMPSA-N 1 0 376.404 2.709 20 0 GFADRO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N(C)Cc2cc(Cl)cc(Cl)c2)C1 ZINC000459920212 564765271 /nfs/dbraw/zinc/76/52/71/564765271.db2.gz NBFRMNPBLHXLQM-MRXNPFEDSA-N 1 0 386.323 2.895 20 0 GFADRO C[C@@H]([NH2+]C[C@H](n1cccn1)C(F)(F)F)c1cccc(NS(C)(=O)=O)c1 ZINC000527938121 564765403 /nfs/dbraw/zinc/76/54/03/564765403.db2.gz JLKKWDQOERWMCY-RISCZKNCSA-N 1 0 376.404 2.709 20 0 GFADRO O=C(CC[NH2+]C1CCN(C(=O)C2CC2)CC1)Nc1ccc(Br)cc1 ZINC000554603801 564767214 /nfs/dbraw/zinc/76/72/14/564767214.db2.gz FSJUCBVYJJLTHW-UHFFFAOYSA-N 1 0 394.313 2.768 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)C(=O)N(C)Cc1cc(Cl)cc(Cl)c1 ZINC000460001824 564767899 /nfs/dbraw/zinc/76/78/99/564767899.db2.gz AXNLPPNPMJBQEG-MRXNPFEDSA-N 1 0 386.323 2.895 20 0 GFADRO COc1ccc(CNC(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1Br ZINC000580631792 564767939 /nfs/dbraw/zinc/76/79/39/564767939.db2.gz KTAKJLHOAFKPFP-HZSPNIEDSA-N 1 0 382.302 2.645 20 0 GFADRO COCc1cc(Cl)cc(S(=O)(=O)N2CC[N@@H+](C3CCC3)C[C@H](C)C2)c1 ZINC000490423126 564770962 /nfs/dbraw/zinc/77/09/62/564770962.db2.gz RDFDYHFHEQUNRM-AWEZNQCLSA-N 1 0 386.945 2.981 20 0 GFADRO CS[C@@H]1CN([C@@H](C)C(=O)NCc2ccc(Cl)cc2)C[C@H]1[NH+]1CCCC1 ZINC000460345327 564774168 /nfs/dbraw/zinc/77/41/68/564774168.db2.gz BTJJYDDIGKHXNO-BMGDILEWSA-N 1 0 381.973 2.856 20 0 GFADRO CS[C@H]1CN(Cc2cn(-c3ccc(Cl)cc3)nn2)C[C@H]1[NH+]1CCCC1 ZINC000460359780 564775200 /nfs/dbraw/zinc/77/52/00/564775200.db2.gz BUWZOTNLAJRGCN-MSOLQXFVSA-N 1 0 377.945 2.932 20 0 GFADRO CS[C@@H]1CN([C@H](C)C(=O)NCc2ccccc2Cl)C[C@@H]1[NH+]1CCCC1 ZINC000460354321 564775215 /nfs/dbraw/zinc/77/52/15/564775215.db2.gz SNOZSLOOMOVZRX-FHLIZLRMSA-N 1 0 381.973 2.856 20 0 GFADRO COCCN(Cc1cccnc1)C(=O)[C@](C)([NH3+])c1ccc(Br)cc1 ZINC000580834024 564776357 /nfs/dbraw/zinc/77/63/57/564776357.db2.gz NTKOCHAOIMKBTA-GOSISDBHSA-N 1 0 392.297 2.693 20 0 GFADRO COc1cc(Br)c(CN2CC[NH+](CCOC(C)C)CC2)cc1O ZINC000490543855 564776545 /nfs/dbraw/zinc/77/65/45/564776545.db2.gz LGYVVYMSGYYYED-UHFFFAOYSA-N 1 0 387.318 2.706 20 0 GFADRO NC(=O)[C@H]1CCO[C@@H]1C1CC[NH+](Cc2cnc(-c3ccsc3)s2)CC1 ZINC000490582381 564777256 /nfs/dbraw/zinc/77/72/56/564777256.db2.gz FRBZOYPYOWCJAS-JKSUJKDBSA-N 1 0 377.535 2.974 20 0 GFADRO C[N@@H+]1CC[C@]2(CCN(S(=O)(=O)c3ccc(Br)c(Cl)c3)C2)C1 ZINC000490603079 564778302 /nfs/dbraw/zinc/77/83/02/564778302.db2.gz RAQLJIDRRFZFNH-AWEZNQCLSA-N 1 0 393.734 2.819 20 0 GFADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)N2CCc3ccc(Br)cc32)C1 ZINC000490819823 564782335 /nfs/dbraw/zinc/78/23/35/564782335.db2.gz DFXGCPFURTZCJN-INIZCTEOSA-N 1 0 396.329 2.878 20 0 GFADRO C[N@@H+]1CCC[C@H](N2CCN(Cc3ccc(Br)c(F)c3F)CC2)C1 ZINC000528418343 564784181 /nfs/dbraw/zinc/78/41/81/564784181.db2.gz UZONPLXCVCAGCI-AWEZNQCLSA-N 1 0 388.300 2.939 20 0 GFADRO CCS(=O)(=O)N(C)CCC[NH2+][C@H](C)Cc1ccc(F)cc1Br ZINC000581034347 564785202 /nfs/dbraw/zinc/78/52/02/564785202.db2.gz VXGBSQCUSWBMCC-GFCCVEGCSA-N 1 0 395.338 2.780 20 0 GFADRO CSC1(CNC(=O)C2(c3cncc(Br)c3)CC2)CC[NH+](C)CC1 ZINC000460972165 564786331 /nfs/dbraw/zinc/78/63/31/564786331.db2.gz HISLCWYAVSHGOH-UHFFFAOYSA-N 1 0 398.370 2.819 20 0 GFADRO C[N@H+](Cc1ccc(Br)c2cccnc12)C1CCN(CCO)CC1 ZINC000491084502 564786588 /nfs/dbraw/zinc/78/65/88/564786588.db2.gz GZWRIVQAYTZFNK-UHFFFAOYSA-N 1 0 378.314 2.886 20 0 GFADRO CSC1(CNC(=O)c2cc3sc(N(C)C)nc3s2)CC[NH+](C)CC1 ZINC000460970506 564786723 /nfs/dbraw/zinc/78/67/23/564786723.db2.gz VWHDCSRVODSLMH-UHFFFAOYSA-N 1 0 384.596 2.981 20 0 GFADRO COCC[N@@H+]1CC[C@H](NC(=O)C(C)(C)[C@H](O)c2cc(Cl)cc(Cl)c2)C1 ZINC000528470326 564787009 /nfs/dbraw/zinc/78/70/09/564787009.db2.gz DTOPYVYVLFXAHI-JKSUJKDBSA-N 1 0 389.323 2.890 20 0 GFADRO C[C@H]1[C@H](NC(=O)Nc2ccc3nccnc3c2Br)CCC[N@@H+]1C ZINC000491116231 564787214 /nfs/dbraw/zinc/78/72/14/564787214.db2.gz UNUGNIKDORBCMM-WDEREUQCSA-N 1 0 378.274 2.997 20 0 GFADRO CCOC(=O)CC[N@H+](C)CCC(=O)Nc1ccc(Br)cc1F ZINC000555224960 564787416 /nfs/dbraw/zinc/78/74/16/564787416.db2.gz OABGCDWYALQCJU-UHFFFAOYSA-N 1 0 375.238 2.802 20 0 GFADRO Cc1ncc(S(=O)(=O)N2CCN(Cc3ccccc3)[C@@H](C(C)C)C2)s1 ZINC000528485530 564788551 /nfs/dbraw/zinc/78/85/51/564788551.db2.gz CBTHULNCRQGAME-QGZVFWFLSA-N 1 0 379.551 2.983 20 0 GFADRO C[C@H](OC[C@H](O)C[NH2+][C@H]1CCC[C@@H](S(C)(=O)=O)C1)c1ccc(Cl)cc1 ZINC000581127677 564788878 /nfs/dbraw/zinc/78/88/78/564788878.db2.gz ZMKIAXTUCOABRB-VIBAHUMZSA-N 1 0 389.945 2.724 20 0 GFADRO CO[C@]1(C[NH2+]C2CCN(Cc3ccccc3Br)CC2)CCOC1 ZINC000461104998 564789106 /nfs/dbraw/zinc/78/91/06/564789106.db2.gz YOPCCQWQKHAEEA-SFHVURJKSA-N 1 0 383.330 2.809 20 0 GFADRO CCc1ncc(S(=O)(=O)NC[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)s1 ZINC000581131428 564789302 /nfs/dbraw/zinc/78/93/02/564789302.db2.gz ILUBNNULVLWMBS-DZGCQCFKSA-N 1 0 383.514 2.516 20 0 GFADRO C[C@@H](CNC(=O)c1c(Br)ccc2ccccc21)N1CC[NH+](C)CC1 ZINC000528567899 564795912 /nfs/dbraw/zinc/79/59/12/564795912.db2.gz UXCJPHAWAFOHBD-AWEZNQCLSA-N 1 0 390.325 2.968 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CNc1ncnc2ccc(I)cc21 ZINC000461461476 564797588 /nfs/dbraw/zinc/79/75/88/564797588.db2.gz FIASVTGQLAQOMK-GFCCVEGCSA-N 1 0 382.249 3.131 20 0 GFADRO COc1ccc(F)c(C[NH2+]CCCNS(=O)(=O)c2ccccc2Cl)c1 ZINC000555586912 564798610 /nfs/dbraw/zinc/79/86/10/564798610.db2.gz LHWYUYYPVOEMNX-UHFFFAOYSA-N 1 0 386.876 2.946 20 0 GFADRO CS(=O)(=O)N1CCCC[C@@H]1C[NH2+][C@@H]1CCc2ccc(Br)cc21 ZINC000581361262 564799280 /nfs/dbraw/zinc/79/92/80/564799280.db2.gz RJNWPQRQJCGQMQ-GDBMZVCRSA-N 1 0 387.343 2.840 20 0 GFADRO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000555682600 564801108 /nfs/dbraw/zinc/80/11/08/564801108.db2.gz PPCGZGSIGCJRPU-UHFFFAOYSA-N 1 0 386.323 2.942 20 0 GFADRO O=C1[C@@H]([NH2+]Cc2cc(Br)c3c(c2)OCCCO3)C[C@@H]2CCCCN12 ZINC000581471003 564804402 /nfs/dbraw/zinc/80/44/02/564804402.db2.gz SYLFVCHYEHXWFD-ZFWWWQNUSA-N 1 0 395.297 2.853 20 0 GFADRO C[NH+](C)CCCOC1CCN(C(=O)c2cc(O)cc(Br)c2)CC1 ZINC000528781974 564804564 /nfs/dbraw/zinc/80/45/64/564804564.db2.gz IWDQAMQNHVIFMG-UHFFFAOYSA-N 1 0 385.302 2.728 20 0 GFADRO Cc1ccc(F)c(C(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)c1Br ZINC000492818128 564804789 /nfs/dbraw/zinc/80/47/89/564804789.db2.gz MPGHVENPVKGQEV-ZDUSSCGKSA-N 1 0 387.293 2.983 20 0 GFADRO CCCC[N@H+](C)C[C@H](C)NS(=O)(=O)c1cc(F)ccc1Br ZINC000581510652 564805109 /nfs/dbraw/zinc/80/51/09/564805109.db2.gz CJQPNICKMNRFKD-NSHDSACASA-N 1 0 381.311 2.987 20 0 GFADRO O=C([C@@H]1C[C@H]1c1csc(Br)c1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000528795250 564806009 /nfs/dbraw/zinc/80/60/09/564806009.db2.gz GJPSBHOSTGOLON-VHDGCEQUSA-N 1 0 399.354 2.795 20 0 GFADRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)NCCNc1ncc(C(F)(F)F)cc1Cl ZINC000581537555 564806837 /nfs/dbraw/zinc/80/68/37/564806837.db2.gz LHOOCTXINDDAQB-VHSXEESVSA-N 1 0 379.814 2.558 20 0 GFADRO CCCCNC(=O)NC(=O)C[NH2+][C@H](c1cncc(Br)c1)C1CC1 ZINC000581563256 564808366 /nfs/dbraw/zinc/80/83/66/564808366.db2.gz BENNRQPIVYOOMN-HNNXBMFYSA-N 1 0 383.290 2.511 20 0 GFADRO C[C@H]([NH2+][C@H]1CCC[C@]1(C)CO)C(=O)N(C)Cc1ccc(Br)cc1 ZINC000493657986 564809566 /nfs/dbraw/zinc/80/95/66/564809566.db2.gz NPWYWPCFOCWQET-QANKJYHBSA-N 1 0 383.330 2.937 20 0 GFADRO CCC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)Cc2cccc(Br)c2)C1 ZINC000555947811 564809603 /nfs/dbraw/zinc/80/96/03/564809603.db2.gz CFNRBGDOCPJLFY-HNNXBMFYSA-N 1 0 389.359 2.943 20 0 GFADRO CN(Cc1ccc(Cl)s1)C(=O)CN1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000581598304 564809998 /nfs/dbraw/zinc/80/99/98/564809998.db2.gz APFRURCJMJCMNS-YJBOKZPZSA-N 1 0 385.961 2.578 20 0 GFADRO CC[NH+]1CCN(CCNC(=O)CCCCc2ccc(Br)cc2)CC1 ZINC000493839062 564811134 /nfs/dbraw/zinc/81/11/34/564811134.db2.gz VWHWNDHNRXGBBB-UHFFFAOYSA-N 1 0 396.373 2.916 20 0 GFADRO O=C(C[NH2+]C[C@@H]1CCCO1)N[C@H]1CCCN(c2ccc(Cl)cc2Cl)C1 ZINC000581662065 564812852 /nfs/dbraw/zinc/81/28/52/564812852.db2.gz SSWPIEQAXJRGAQ-GJZGRUSLSA-N 1 0 386.323 2.847 20 0 GFADRO C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)NCCc1c(Cl)cccc1Cl ZINC000556109897 564813318 /nfs/dbraw/zinc/81/33/18/564813318.db2.gz FUEASUJHSWCULT-ZDUSSCGKSA-N 1 0 386.323 2.643 20 0 GFADRO C[NH+](C)CCN(CC(=O)OC(C)(C)C)C(=O)c1ccsc1Br ZINC000556177439 564814031 /nfs/dbraw/zinc/81/40/31/564814031.db2.gz UHHJJAYDJPZYNW-UHFFFAOYSA-N 1 0 391.331 2.856 20 0 GFADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)N[C@H]3CCc4sc(Cl)cc43)C2)CC1 ZINC000462059110 564814155 /nfs/dbraw/zinc/81/41/55/564814155.db2.gz IMBSNRQTMJQHJE-HIFRSBDPSA-N 1 0 382.961 2.810 20 0 GFADRO CCOc1cc(C[NH2+][C@@H]2C[C@H]3CCCCN3C2=O)cc(Br)c1O ZINC000581711923 564816243 /nfs/dbraw/zinc/81/62/43/564816243.db2.gz AWXXMWZSAPVMTL-TZMCWYRMSA-N 1 0 383.286 2.796 20 0 GFADRO CC[NH+](CC)CCN(CCOC)S(=O)(=O)c1ccc(C(F)(F)F)s1 ZINC000462088344 564817546 /nfs/dbraw/zinc/81/75/46/564817546.db2.gz HRNMWHJIGSYSOF-UHFFFAOYSA-N 1 0 388.477 2.746 20 0 GFADRO C[NH+](C)CCN(Cc1ccccn1)S(=O)(=O)c1ccc(C(F)(F)F)s1 ZINC000462089800 564818047 /nfs/dbraw/zinc/81/80/47/564818047.db2.gz IPQDQSFGIWWEKL-UHFFFAOYSA-N 1 0 393.456 2.914 20 0 GFADRO CS(=O)(=O)[C@H]1CCC[C@H]([NH2+]Cc2ccc(I)cc2)C1 ZINC000581766533 564818092 /nfs/dbraw/zinc/81/80/92/564818092.db2.gz GDTNRUKCEMMEEE-KBPBESRZSA-N 1 0 393.290 2.737 20 0 GFADRO CC[NH+]1CCN(CCCNC(=O)CCOc2cccc(Cl)c2Cl)CC1 ZINC000494150985 564818270 /nfs/dbraw/zinc/81/82/70/564818270.db2.gz ULTMKVDTOSXKNW-UHFFFAOYSA-N 1 0 388.339 2.906 20 0 GFADRO CC(C)N1C(=O)C[C@@H]([NH2+]CCCS(C)(=O)=O)[C@H]1c1ccc(Cl)c(F)c1 ZINC000494217599 564820373 /nfs/dbraw/zinc/82/03/73/564820373.db2.gz WUPUNYZEKHUKLB-NVXWUHKLSA-N 1 0 390.908 2.554 20 0 GFADRO C[NH+](C)[C@H]1CCC[C@H](NS(=O)(=O)CCc2ccccc2Br)C1 ZINC000462110071 564820434 /nfs/dbraw/zinc/82/04/34/564820434.db2.gz GQFZBSBTBVHLOR-GJZGRUSLSA-N 1 0 389.359 2.784 20 0 GFADRO Cc1cccc(CC(=O)N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)c1Br ZINC000529122496 564820622 /nfs/dbraw/zinc/82/06/22/564820622.db2.gz NHXJTMGLJCBFQX-AWEZNQCLSA-N 1 0 383.330 2.604 20 0 GFADRO COCC[N@H+](CCN1C[C@H]2CC[C@@H](C1)O2)Cc1ccc(Br)s1 ZINC000494279892 564821774 /nfs/dbraw/zinc/82/17/74/564821774.db2.gz PDEGACNVZLIAAZ-OKILXGFUSA-N 1 0 389.359 2.822 20 0 GFADRO C[C@@H](CNS(=O)(=O)c1ccc(Br)cn1)[N@H+](C)Cc1ccccc1 ZINC000462133732 564823069 /nfs/dbraw/zinc/82/30/69/564823069.db2.gz ACQLLUFTTQMTKG-ZDUSSCGKSA-N 1 0 398.326 2.643 20 0 GFADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)Nc1cc(Cl)c(Br)cc1F ZINC000529175064 564824044 /nfs/dbraw/zinc/82/40/44/564824044.db2.gz RMVUJNSVBAGQAJ-VIFPVBQESA-N 1 0 393.688 2.609 20 0 GFADRO C[C@@H]([NH2+]C[C@H](C)S(C)(=O)=O)c1ccc(F)c(I)c1 ZINC000556424283 564825260 /nfs/dbraw/zinc/82/52/60/564825260.db2.gz WOVACZYRSJLFCY-DTWKUNHWSA-N 1 0 385.242 2.514 20 0 GFADRO CC[NH+]1CCC(CNC(=O)c2c(C)nc3ccc(Br)cn32)CC1 ZINC000581978265 564825440 /nfs/dbraw/zinc/82/54/40/564825440.db2.gz YEUZZURQMHFOKM-UHFFFAOYSA-N 1 0 379.302 2.867 20 0 GFADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)Nc1cccc2cccc(Br)c21 ZINC000529267799 564827651 /nfs/dbraw/zinc/82/76/51/564827651.db2.gz BHYRRGHYLMBPPC-CQSZACIVSA-N 1 0 391.313 2.970 20 0 GFADRO O=c1cc(C[N@@H+]2CCC[C@H]2[C@H]2CCCO2)nc2ccc(Br)cn12 ZINC000556520884 564829283 /nfs/dbraw/zinc/82/92/83/564829283.db2.gz OZUDQNXYEJXZJH-LSDHHAIUSA-N 1 0 378.270 2.600 20 0 GFADRO Brc1cc(C[NH2+][C@H]2CCn3ccnc3C2)cc2c1OCCCO2 ZINC000494410578 564829450 /nfs/dbraw/zinc/82/94/50/564829450.db2.gz GJLHIABPPCNXML-ZDUSSCGKSA-N 1 0 378.270 2.912 20 0 GFADRO Cc1cc(CNC(=O)N[C@H]2CC[NH2+]C23CCC3)ccc1I ZINC000529332016 564830555 /nfs/dbraw/zinc/83/05/55/564830555.db2.gz UCBIAUMPDMRWIE-AWEZNQCLSA-N 1 0 399.276 2.683 20 0 GFADRO Cc1cc(C2CCN(C(=O)NC[C@H]3COCC[NH2+]3)CC2)ccc1Br ZINC000529374936 564832100 /nfs/dbraw/zinc/83/21/00/564832100.db2.gz FQGKGNRWXZHZCG-INIZCTEOSA-N 1 0 396.329 2.635 20 0 GFADRO C[C@@H]1CCN(C(=O)NCc2cc(F)c(Br)cc2F)C[C@H]1C[NH3+] ZINC000529371404 564832277 /nfs/dbraw/zinc/83/22/77/564832277.db2.gz XCNNZBKHARNUKU-MWLCHTKSSA-N 1 0 376.245 2.854 20 0 GFADRO CCCS(=O)(=O)Nc1cc(NC(=O)CC[C@@H]2CCC[NH2+]2)c(F)cc1F ZINC000494525021 564832403 /nfs/dbraw/zinc/83/24/03/564832403.db2.gz JNFLJAWSSNILLO-NSHDSACASA-N 1 0 375.441 2.587 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)NCc2cc(F)c(Br)cc2F)C1 ZINC000529369477 564832367 /nfs/dbraw/zinc/83/23/67/564832367.db2.gz HXPWGVVLBMKZDW-VHSXEESVSA-N 1 0 376.245 2.996 20 0 GFADRO Cn1c(C[NH2+]C[C@H](O)COc2cccc(Br)c2)nc2ccccc21 ZINC000582176180 564833874 /nfs/dbraw/zinc/83/38/74/564833874.db2.gz GHRQJDJZNZYHFK-AWEZNQCLSA-N 1 0 390.281 2.865 20 0 GFADRO CCc1ccc(-c2csc(NC(=O)C(=O)N(C)CCC[NH+](C)C)n2)s1 ZINC000582245688 564837278 /nfs/dbraw/zinc/83/72/78/564837278.db2.gz VHJGUCJIZQEUBH-UHFFFAOYSA-N 1 0 380.539 2.783 20 0 GFADRO C[N@@H+]1CCC[C@@H](CCNC(=O)c2cccc(F)c2I)C1 ZINC000556735237 564838004 /nfs/dbraw/zinc/83/80/04/564838004.db2.gz JDGDYILYPRPFAT-NSHDSACASA-N 1 0 390.240 2.892 20 0 GFADRO C[NH+](C)C1(CNS(=O)(=O)c2ccc(Br)cn2)CCCCCC1 ZINC000462430341 564838726 /nfs/dbraw/zinc/83/87/26/564838726.db2.gz SNMZJTVHQIGRIL-UHFFFAOYSA-N 1 0 390.347 2.777 20 0 GFADRO COc1cc(I)ccc1NC(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000582301254 564839508 /nfs/dbraw/zinc/83/95/08/564839508.db2.gz ZBDWDMJTCBGCLT-RKDXNWHRSA-N 1 0 377.226 2.547 20 0 GFADRO C[N@@H+]1CCCC[C@@H]1CN1CCN(Cc2ncc(Br)cc2F)CC1 ZINC000529527475 564839843 /nfs/dbraw/zinc/83/98/43/564839843.db2.gz CWTVPFRIXLYDQI-OAHLLOKOSA-N 1 0 385.325 2.585 20 0 GFADRO CN(CC(=O)Nc1ccccc1Br)C(=O)C[C@@H]1CCCC[C@@H]1[NH3+] ZINC000582298884 564840212 /nfs/dbraw/zinc/84/02/12/564840212.db2.gz IIRURGKOZLLUKG-JSGCOSHPSA-N 1 0 382.302 2.754 20 0 GFADRO C[C@H](Cc1ccncc1)[NH2+]CCS(=O)(=O)c1cccc(Br)c1 ZINC000582355628 564842752 /nfs/dbraw/zinc/84/27/52/564842752.db2.gz SKZCNHOCPQUSMP-CYBMUJFWSA-N 1 0 383.311 2.839 20 0 GFADRO CC[N@H+](CCO)CCNC(=O)C[C@@H](C)c1ccc(F)c(Br)c1 ZINC000462500408 564844265 /nfs/dbraw/zinc/84/42/65/564844265.db2.gz INCYUZHAXMQACQ-GFCCVEGCSA-N 1 0 375.282 2.512 20 0 GFADRO C[C@@H]1C[N@@H+](CCC2CCN(Cc3c(Br)cnn3C)CC2)C[C@H](C)O1 ZINC000494985379 564844539 /nfs/dbraw/zinc/84/45/39/564844539.db2.gz JNCCKJLLOJZQJV-GASCZTMLSA-N 1 0 399.377 2.894 20 0 GFADRO CC[NH+](CC)CCN(C(=O)[C@H]1CO[C@@H](C)C1)c1ccc(Br)cn1 ZINC000582424140 564846764 /nfs/dbraw/zinc/84/67/64/564846764.db2.gz XCTGUWQBAZUMSL-UONOGXRCSA-N 1 0 384.318 2.944 20 0 GFADRO COC(=O)c1cccc(NC(=O)NCC2=CC[N@H+](C)CC2)c1Br ZINC000495031086 564846893 /nfs/dbraw/zinc/84/68/93/564846893.db2.gz RFRHAEILBZLMAY-UHFFFAOYSA-N 1 0 382.258 2.619 20 0 GFADRO CC[C@@]1(O)CC[N@H+](CCCOc2cccc(I)c2)C1 ZINC000495191253 564850812 /nfs/dbraw/zinc/85/08/12/564850812.db2.gz JNBFTDAPXZABOF-OAHLLOKOSA-N 1 0 375.250 2.907 20 0 GFADRO CS[C@@H]1CN(C(=O)[C@H](C)Sc2ccc(NC(C)=O)cc2)C[C@@H]1[NH+](C)C ZINC000495591945 564855588 /nfs/dbraw/zinc/85/55/88/564855588.db2.gz BSFLRCHNXJXYPJ-AFAVFJNCSA-N 1 0 381.567 2.630 20 0 GFADRO CS[C@@H]1CN(C(=O)Cc2ccc(Br)c(F)c2)C[C@@H]1[NH+](C)C ZINC000495697763 564855649 /nfs/dbraw/zinc/85/56/49/564855649.db2.gz YEYKJHIKYUAVDP-UONOGXRCSA-N 1 0 375.307 2.635 20 0 GFADRO CSC1(CNS(=O)(=O)Cc2cccc(C(F)(F)F)c2)CC[NH+](C)CC1 ZINC000582635085 564855662 /nfs/dbraw/zinc/85/56/62/564855662.db2.gz PBPRCSXQZRGYEB-UHFFFAOYSA-N 1 0 396.500 2.952 20 0 GFADRO CS[C@@H]1CN(C(=O)c2cc(NC(=O)N(C)C)ccc2Cl)C[C@@H]1[NH+](C)C ZINC000495712593 564857169 /nfs/dbraw/zinc/85/71/69/564857169.db2.gz MEGMLXLSAYBSRK-LSDHHAIUSA-N 1 0 384.933 2.551 20 0 GFADRO CCN(CCC[NH+](C)C)C(=O)C(=O)N[C@@H]1CCSc2ccc(Cl)cc21 ZINC000557208009 564857574 /nfs/dbraw/zinc/85/75/74/564857574.db2.gz DXKPGJGDTDARHN-OAHLLOKOSA-N 1 0 383.945 2.793 20 0 GFADRO O=C(NCCC1=CC[NH2+]CC1)N[C@@H]1CCOc2c(Br)cccc21 ZINC000557199678 564857835 /nfs/dbraw/zinc/85/78/35/564857835.db2.gz BLUQXLVDAQXBFD-OAHLLOKOSA-N 1 0 380.286 2.882 20 0 GFADRO C[C@H]1[C@H](C)[N@H+](C)CCN1Cc1noc(Cc2ccc(Br)cc2)n1 ZINC000557181661 564857894 /nfs/dbraw/zinc/85/78/94/564857894.db2.gz WGRKGQWRYVAZJD-STQMWFEESA-N 1 0 379.302 2.947 20 0 GFADRO C[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)N(C)CC[N@H+](C)C1CC1 ZINC000557241075 564858292 /nfs/dbraw/zinc/85/82/92/564858292.db2.gz TTXNBPUMPVVHSU-LBPRGKRZSA-N 1 0 386.323 2.593 20 0 GFADRO CCO[C@@H](CC[NH+](C)C)CNC(=O)c1cc(Br)cc(N(C)C)c1 ZINC000557366848 564861376 /nfs/dbraw/zinc/86/13/76/564861376.db2.gz XGTLPIYXQMQLLQ-INIZCTEOSA-N 1 0 386.334 2.602 20 0 GFADRO COCC[N@@H+]1CC[C@@H](NC(=O)Nc2cc(Br)c(C)cc2OC)C1 ZINC000462873306 564861413 /nfs/dbraw/zinc/86/14/13/564861413.db2.gz XOXPRVOKCAYLAO-GFCCVEGCSA-N 1 0 386.290 2.608 20 0 GFADRO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N(C)Cc1ccc(Br)cc1C ZINC000557380548 564861897 /nfs/dbraw/zinc/86/18/97/564861897.db2.gz BGFMCGSKWSDVRQ-CQSZACIVSA-N 1 0 398.345 2.562 20 0 GFADRO CSC1(CNC(=O)C(=O)Nc2cc(F)c(F)cc2Cl)CC[NH+](C)CC1 ZINC000582816257 564863621 /nfs/dbraw/zinc/86/36/21/564863621.db2.gz NIVNWOYNJYGEPN-UHFFFAOYSA-N 1 0 391.871 2.500 20 0 GFADRO O=C(NCc1cc(Br)cc2c1OCC2)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000463014480 564867165 /nfs/dbraw/zinc/86/71/65/564867165.db2.gz WKJILBCTQLYCPP-CVEARBPZSA-N 1 0 394.313 2.810 20 0 GFADRO C[C@@H]1C[N@H+](C)C[C@@H]1c1nc(-c2n[nH]c(-c3cccc(Br)c3)n2)no1 ZINC000463056732 564867818 /nfs/dbraw/zinc/86/78/18/564867818.db2.gz XDMBUAFGKYJDFC-SKDRFNHKSA-N 1 0 389.257 2.949 20 0 GFADRO COc1nc(N2CC[NH+]([C@@H]3C[C@H]3c3ccccc3)CC2)ncc1Br ZINC000463107132 564869797 /nfs/dbraw/zinc/86/97/97/564869797.db2.gz PVEAMWWYKCCUGP-GOEBONIOSA-N 1 0 389.297 2.926 20 0 GFADRO COCC[N@@H+]1CC[C@@H](NC(=O)Nc2cccc(Cl)c2OCC(F)F)C1 ZINC000497534387 564869920 /nfs/dbraw/zinc/86/99/20/564869920.db2.gz MFFNZRJNQGSATP-LLVKDONJSA-N 1 0 377.819 2.826 20 0 GFADRO COCC[N@@H+]1CC[C@@H](NC(=O)Nc2ccc(Cl)cc2OCC(F)F)C1 ZINC000497533578 564870014 /nfs/dbraw/zinc/87/00/14/564870014.db2.gz BBWLTVFVCMNZIX-GFCCVEGCSA-N 1 0 377.819 2.826 20 0 GFADRO CCCOc1c(Br)cc(C[NH2+]C[C@@H]2COCCN2)cc1OCC ZINC000530181618 564870581 /nfs/dbraw/zinc/87/05/81/564870581.db2.gz NTMFBKXOSYDXEC-CQSZACIVSA-N 1 0 387.318 2.715 20 0 GFADRO Fc1c(Br)ccc(CN[C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)c1F ZINC000530223387 564873274 /nfs/dbraw/zinc/87/32/74/564873274.db2.gz UYMPBJGHLKFKCZ-IACUBPJLSA-N 1 0 375.257 2.974 20 0 GFADRO COCCOc1ccc(NC(=O)N2C[C@@H](SC)[C@H]([NH+](C)C)C2)cc1Cl ZINC000497679398 564873946 /nfs/dbraw/zinc/87/39/46/564873946.db2.gz PSSKSZALSZETJU-GDBMZVCRSA-N 1 0 387.933 2.875 20 0 GFADRO CO[C@@H]([C@H](C)[NH2+]C[C@H](O)COc1cc(F)cc(Br)c1)C1CC1 ZINC000583140051 564877716 /nfs/dbraw/zinc/87/77/16/564877716.db2.gz JXXURAMKOHOPKD-FSBGKCOPSA-N 1 0 376.266 2.731 20 0 GFADRO CCN(CCC[NH+](C)C)C(=O)c1cc(F)ccc1I ZINC000530345416 564877715 /nfs/dbraw/zinc/87/77/15/564877715.db2.gz MOKANIJJVGQREL-UHFFFAOYSA-N 1 0 378.229 2.844 20 0 GFADRO O=C1[C@H]([N@@H+]2CC[C@@H](n3cccn3)C2)CCN1c1cccc(Br)c1 ZINC000463435634 564881485 /nfs/dbraw/zinc/88/14/85/564881485.db2.gz USGHEQVDLZMROT-HZPDHXFCSA-N 1 0 375.270 2.698 20 0 GFADRO CN(CC(=O)Nc1ccc(Br)cn1)C(=O)CC1(C[NH3+])CCCCC1 ZINC000463483984 564882576 /nfs/dbraw/zinc/88/25/76/564882576.db2.gz JSRWJOUXIFNETF-UHFFFAOYSA-N 1 0 397.317 2.540 20 0 GFADRO O[C@H](C[NH2+]C[C@@H]1CCCC[C@H]1O)COc1ccc(Cl)cc1Br ZINC000583263349 564883225 /nfs/dbraw/zinc/88/32/25/564883225.db2.gz FSXXUFTVSKRZBH-NJZAAPMLSA-N 1 0 392.721 2.983 20 0 GFADRO Cc1cc(Br)cc(C(=O)N2CCN(C3CC[NH+](C)CC3)[C@@H](C)C2)c1 ZINC000463592343 564885237 /nfs/dbraw/zinc/88/52/37/564885237.db2.gz RSNYYKHLBNQGLJ-HNNXBMFYSA-N 1 0 394.357 2.998 20 0 GFADRO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000583367444 564887964 /nfs/dbraw/zinc/88/79/64/564887964.db2.gz IHOWWXPOHXUDLW-AWEZNQCLSA-N 1 0 384.307 2.649 20 0 GFADRO C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000498091240 564888842 /nfs/dbraw/zinc/88/88/42/564888842.db2.gz GLHVZBYISIJNLK-NWDGAFQWSA-N 1 0 384.307 2.712 20 0 GFADRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)Nc1cc(C)c(Br)cc1F ZINC000498114798 564889174 /nfs/dbraw/zinc/88/91/74/564889174.db2.gz QNYHGQJUCJCWQI-LLVKDONJSA-N 1 0 388.281 2.682 20 0 GFADRO CC(C)CN(CC[NH+](C)C)C(=O)Cc1cc2c(cc1Br)OCCO2 ZINC000498206691 564891961 /nfs/dbraw/zinc/89/19/61/564891961.db2.gz LNLBHMBVZSCIDR-UHFFFAOYSA-N 1 0 399.329 2.809 20 0 GFADRO CN(C)S(=O)(=O)c1ccc(C[NH2+][C@@H](CCO)c2ccc(Cl)cc2)cc1 ZINC000558142974 564893891 /nfs/dbraw/zinc/89/38/91/564893891.db2.gz LDGQPJVXCLGXLN-SFHVURJKSA-N 1 0 382.913 2.804 20 0 GFADRO O=C(CNC(=O)c1ccc(Cl)cc1Cl)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000583477970 564894266 /nfs/dbraw/zinc/89/42/66/564894266.db2.gz LCCYZYUHDMIRAE-AWEZNQCLSA-N 1 0 384.307 2.856 20 0 GFADRO CC(=O)NCC[C@H]1CCC[N@H+](Cc2cc3c(cc2Br)OCO3)C1 ZINC000558152991 564894322 /nfs/dbraw/zinc/89/43/22/564894322.db2.gz UPCGYGSURKZHIZ-CYBMUJFWSA-N 1 0 383.286 2.916 20 0 GFADRO CC(C)(C)[N@@H+]1CCCN(c2ccc(S(N)(=O)=O)c(C(F)(F)F)c2)CC1 ZINC000530828725 564896225 /nfs/dbraw/zinc/89/62/25/564896225.db2.gz GGHFFUORBQHDAA-UHFFFAOYSA-N 1 0 379.448 2.663 20 0 GFADRO CCOc1c(Br)cc(C[NH2+][C@H]2CCC[C@H]2C(=O)NC)cc1OC ZINC000498375979 564897584 /nfs/dbraw/zinc/89/75/84/564897584.db2.gz RTYYAPIQKFPKML-OCCSQVGLSA-N 1 0 385.302 2.861 20 0 GFADRO CC[NH+](CC)CCOCCNS(=O)(=O)c1ccc(SC)c(Cl)c1 ZINC000464203294 564898458 /nfs/dbraw/zinc/89/84/58/564898458.db2.gz GXTVYIIXYUDLOJ-UHFFFAOYSA-N 1 0 380.963 2.699 20 0 GFADRO CC[N@@H+]1C[C@@H](C)N(C(=O)c2ccc(I)c(F)c2)C[C@@H]1C ZINC000498556751 564901802 /nfs/dbraw/zinc/90/18/02/564901802.db2.gz RDGUPMZWBKFSBY-WDEREUQCSA-N 1 0 390.240 2.985 20 0 GFADRO O=C(NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)NC[C@@]1(O)CCSC1 ZINC000531107063 564902121 /nfs/dbraw/zinc/90/21/21/564902121.db2.gz XGHLLNYYFNJVNN-AEFFLSMTSA-N 1 0 383.945 2.644 20 0 GFADRO CC1=C[C@@H](C)C[C@@H](C[NH2+]Cc2ccc(S(=O)(=O)N3CCOCC3)s2)C1 ZINC000558482736 564903104 /nfs/dbraw/zinc/90/31/04/564903104.db2.gz JYCFDFGDUJDFEV-GDBMZVCRSA-N 1 0 384.567 2.851 20 0 GFADRO CC[C@@H](NC(=O)c1ccc(C[NH+]2CCSCC2)cc1)[C@H](O)C(F)(F)F ZINC000498583200 564903755 /nfs/dbraw/zinc/90/37/55/564903755.db2.gz HSWSYAZHRLRWEN-CABCVRRESA-N 1 0 376.444 2.667 20 0 GFADRO C[NH+](C)CCOCCNC(=O)N[C@H]1C[C@H](c2ccc(Br)cc2)C1 ZINC000464341751 564903924 /nfs/dbraw/zinc/90/39/24/564903924.db2.gz MZZBVXDTKDSWGS-KOMQPUFPSA-N 1 0 384.318 2.573 20 0 GFADRO CC[C@H](CNC(=O)[C@H]1CN(CC)CCO1)Cc1cccc(Br)c1 ZINC000498629403 564904286 /nfs/dbraw/zinc/90/42/86/564904286.db2.gz ZHDCOBHJNODJFX-WMLDXEAASA-N 1 0 383.330 2.855 20 0 GFADRO C[C@H](C(=O)Nc1ccc(Br)cc1)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000583753487 564905861 /nfs/dbraw/zinc/90/58/61/564905861.db2.gz JWKNDTNPAIJFSH-JLZZUVOBSA-N 1 0 396.329 2.604 20 0 GFADRO C[C@@H]1CC[N@H+](C)CCN1C(=O)[C@H]1CCN(c2cc(Cl)ccc2Cl)C1=O ZINC000498710984 564906119 /nfs/dbraw/zinc/90/61/19/564906119.db2.gz RTAWJYQNDJWQAS-TZMCWYRMSA-N 1 0 384.307 2.899 20 0 GFADRO Cc1sc2ncnc(SCC(=O)NC[C@@]3([NH+](C)C)CCSC3)c2c1C ZINC000531362889 564908484 /nfs/dbraw/zinc/90/84/84/564908484.db2.gz KKEHITIAIJNZCV-KRWDZBQOSA-N 1 0 396.607 2.954 20 0 GFADRO CC(C)(C)[C@H](O)C[C@@H](CO)[NH2+]CCC(=O)Nc1cccc(Br)c1 ZINC000583812777 564908932 /nfs/dbraw/zinc/90/89/32/564908932.db2.gz TZPDEWVYNWAQFD-LSDHHAIUSA-N 1 0 387.318 2.525 20 0 GFADRO O=C(N[C@H]1COc2cc(F)c(Br)cc21)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000558672534 564910407 /nfs/dbraw/zinc/91/04/07/564910407.db2.gz JVPGBNAJYYCHTD-NHYWBVRUSA-N 1 0 398.276 2.901 20 0 GFADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]CC[C@H]1COc2ccccc2O1 ZINC000583918834 564912932 /nfs/dbraw/zinc/91/29/32/564912932.db2.gz TUIJKGGTOHHDPC-HIFRSBDPSA-N 1 0 393.281 2.819 20 0 GFADRO CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)CCOC1C[NH2+]C1 ZINC000583929090 564913339 /nfs/dbraw/zinc/91/33/39/564913339.db2.gz DPWKAYFCQDYDJI-UHFFFAOYSA-N 1 0 388.295 2.549 20 0 GFADRO CC(C)(C)n1ncnc1CNCCC(=O)Nc1ccc(Br)cc1 ZINC000583990242 564914920 /nfs/dbraw/zinc/91/49/20/564914920.db2.gz PHUNEOVYFPWROD-UHFFFAOYSA-N 1 0 380.290 2.914 20 0 GFADRO CCC[NH+]1CCC(Nc2cnn(-c3ccccn3)c(=O)c2Br)CC1 ZINC000558893549 564917356 /nfs/dbraw/zinc/91/73/56/564917356.db2.gz WGFXHKGZLWBQNT-UHFFFAOYSA-N 1 0 392.301 2.676 20 0 GFADRO O=C(Nc1ccnn1Cc1ccccc1Br)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000584041275 564918040 /nfs/dbraw/zinc/91/80/40/564918040.db2.gz MGBSIQHZFHMHAK-DOMZBBRYSA-N 1 0 390.285 2.520 20 0 GFADRO C[C@H]1C[C@@H]([NH2+]CCNC(=O)c2cnccn2)c2cccc(Br)c21 ZINC000531708778 564918090 /nfs/dbraw/zinc/91/80/90/564918090.db2.gz ZGIFFOUAIMCMJI-SMDDNHRTSA-N 1 0 375.270 2.807 20 0 GFADRO C[C@H]1[C@H](NC(=O)c2ccn(-c3ccc(Br)cc3)n2)CCC[N@@H+]1C ZINC000499122138 564918600 /nfs/dbraw/zinc/91/86/00/564918600.db2.gz QZFYOQREUGDWST-SWLSCSKDSA-N 1 0 377.286 2.847 20 0 GFADRO Cc1cc(Br)cn2c(C[N@@H+](C)CCCN(C)CC[NH+](C)C)cnc12 ZINC000584059408 564918820 /nfs/dbraw/zinc/91/88/20/564918820.db2.gz OPDIDQOPLYVRQN-UHFFFAOYSA-N 1 0 396.377 2.721 20 0 GFADRO Cc1ccnc(N2CCN(C(=O)c3cccc(Br)c3[O-])CC2)c1 ZINC000532012867 564927060 /nfs/dbraw/zinc/92/70/60/564927060.db2.gz LAFLGVWXPNOUOA-UHFFFAOYSA-N 1 0 376.254 2.821 20 0 GFADRO CC(C)[C@H](O)C1(C[NH2+]C[C@H](O)COc2cc(F)cc(Br)c2)CC1 ZINC000584292126 564929425 /nfs/dbraw/zinc/92/94/25/564929425.db2.gz VGDOMPMRCNVNKB-HOCLYGCPSA-N 1 0 390.293 2.715 20 0 GFADRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)C(=O)NCc1ccc(Cl)cc1Cl ZINC000559342758 564930728 /nfs/dbraw/zinc/93/07/28/564930728.db2.gz IOIVUTDYPHHJCU-BETUJISGSA-N 1 0 386.323 2.989 20 0 GFADRO CCOc1cccc(C[NH2+]CCNC(=O)c2ccc(Br)cc2)n1 ZINC000532168262 564931575 /nfs/dbraw/zinc/93/15/75/564931575.db2.gz DOUZNRSKGSSYLQ-UHFFFAOYSA-N 1 0 378.270 2.762 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)N[C@H]2CCN(c3ccccc3Br)C2)CC[N@@H+]1C ZINC000465893604 564933856 /nfs/dbraw/zinc/93/38/56/564933856.db2.gz TZULAEJSFHKGMB-KFWWJZLASA-N 1 0 395.345 2.810 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)NC[C@@H](O)COc2cccc(Cl)c2Cl)CC[N@@H+]1C ZINC000466032802 564935036 /nfs/dbraw/zinc/93/50/36/564935036.db2.gz BDPPZIGWZQDGPF-JHJVBQTASA-N 1 0 390.311 2.515 20 0 GFADRO COc1ccc(CNC(=O)N[C@H]2C[N@@H+](C3CC3)C[C@H]2C)cc1Br ZINC000466260032 564937014 /nfs/dbraw/zinc/93/70/14/564937014.db2.gz XYYVYWXUUKCRLH-ABAIWWIYSA-N 1 0 382.302 2.740 20 0 GFADRO Cc1cc(C[NH2+]Cc2ccc(C(=O)N(C)C)[nH]2)ccc1I ZINC000466365452 564938831 /nfs/dbraw/zinc/93/88/31/564938831.db2.gz VLWXOFMVTQUDFF-UHFFFAOYSA-N 1 0 397.260 2.919 20 0 GFADRO O[C@H](C[NH2+]Cc1ccc2[nH]cnc2c1)COc1ccccc1Br ZINC000532479253 564939314 /nfs/dbraw/zinc/93/93/14/564939314.db2.gz GIIYTBGNOBXUKB-CYBMUJFWSA-N 1 0 376.254 2.855 20 0 GFADRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)CCOc1ccccc1Br ZINC000499895160 564939636 /nfs/dbraw/zinc/93/96/36/564939636.db2.gz KWIMMJJMYLAZQZ-OAHLLOKOSA-N 1 0 399.329 2.787 20 0 GFADRO CN(C)c1ccccc1C[NH2+]CCCNS(=O)(=O)c1ccccc1Cl ZINC000466396837 564939691 /nfs/dbraw/zinc/93/96/91/564939691.db2.gz SQAXCYJNLRNTTC-UHFFFAOYSA-N 1 0 381.929 2.864 20 0 GFADRO CN(CCC[NH+]1CCCC1)CCS(=O)(=O)c1ccc(Br)cc1 ZINC000499910297 564940176 /nfs/dbraw/zinc/94/01/76/564940176.db2.gz VHWGZAPDFYUEDH-UHFFFAOYSA-N 1 0 389.359 2.641 20 0 GFADRO Cc1ncc(CNCC(=O)Nc2ccc(I)cc2)s1 ZINC000560079188 564948671 /nfs/dbraw/zinc/94/86/71/564948671.db2.gz XGKJEDQAOANNKJ-UHFFFAOYSA-N 1 0 387.246 2.784 20 0 GFADRO C[C@H](Oc1ccc(Br)cc1)C(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000466981576 564951875 /nfs/dbraw/zinc/95/18/75/564951875.db2.gz UKAKBWJWUJUZEO-KFWWJZLASA-N 1 0 399.329 2.832 20 0 GFADRO COC(=O)c1ccc(C[NH2+]C2(CO)Cc3ccccc3C2)c(Br)c1 ZINC000560242705 564954087 /nfs/dbraw/zinc/95/40/87/564954087.db2.gz NXDXCWFMTJONSY-UHFFFAOYSA-N 1 0 390.277 2.855 20 0 GFADRO Cc1cc(C[NH2+][C@@H]2CCC[C@H]2CNS(C)(=O)=O)ccc1Br ZINC000500492838 564955524 /nfs/dbraw/zinc/95/55/24/564955524.db2.gz BWKCHVINWZYKDD-DZGCQCFKSA-N 1 0 375.332 2.565 20 0 GFADRO CS(=O)(=O)NC[C@@H]1CCC[C@H]1[NH2+]Cc1c(F)ccc(Br)c1F ZINC000500532901 564956016 /nfs/dbraw/zinc/95/60/16/564956016.db2.gz MDLQZUUNUSYWDR-TVQRCGJNSA-N 1 0 397.285 2.535 20 0 GFADRO C[N@H+](CC[C@@H]1CCCO1)CC(=O)Nc1ccccc1I ZINC000467131723 564956702 /nfs/dbraw/zinc/95/67/02/564956702.db2.gz NTFZCEQXZHAYJF-LBPRGKRZSA-N 1 0 388.249 2.731 20 0 GFADRO CS(=O)(=O)NC[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(Cl)cc1Br ZINC000500550562 564957274 /nfs/dbraw/zinc/95/72/74/564957274.db2.gz ZOSIGICBSQEWJN-SMDDNHRTSA-N 1 0 395.750 2.910 20 0 GFADRO O[C@H](COc1ccc(Br)cc1)C[NH+]1CCC(c2ncc[nH]2)CC1 ZINC000467154787 564957805 /nfs/dbraw/zinc/95/78/05/564957805.db2.gz HPOSOPTXSMFDND-HNNXBMFYSA-N 1 0 380.286 2.792 20 0 GFADRO COc1c(Br)cc(CN2CC[NH+](C)CC2)cc1Br ZINC000533261561 564959582 /nfs/dbraw/zinc/95/95/82/564959582.db2.gz WFAVGNKZUMOKTP-UHFFFAOYSA-N 1 0 378.108 2.968 20 0 GFADRO CC[NH+]1CCC(N(C)S(=O)(=O)c2cc(Br)ccc2F)CC1 ZINC000500684818 564960693 /nfs/dbraw/zinc/96/06/93/564960693.db2.gz QMWLGPOUNWLXAA-UHFFFAOYSA-N 1 0 379.295 2.693 20 0 GFADRO O=c1cc(C[NH2+]C2(c3ccc(Br)cc3)CCOCC2)occ1O ZINC000533352479 564961191 /nfs/dbraw/zinc/96/11/91/564961191.db2.gz YMSASHMRAKEXDZ-UHFFFAOYSA-N 1 0 380.238 2.903 20 0 GFADRO CS(=O)(=O)[C@H]1CCCC[C@@H]1[NH2+]Cc1cc(Cl)ccc1N1CCOCC1 ZINC000467413423 564962480 /nfs/dbraw/zinc/96/24/80/564962480.db2.gz XJHMWIHLCPJKQN-WMZOPIPTSA-N 1 0 386.945 2.622 20 0 GFADRO CCCC[N@H+](C)CCNC(=O)c1cccc(F)c1I ZINC000533542558 564965291 /nfs/dbraw/zinc/96/52/91/564965291.db2.gz NAHXQDIAEFIIJD-UHFFFAOYSA-N 1 0 378.229 2.892 20 0 GFADRO CN1CC[NH+](CCC(C)(C)NC(=O)Cc2cscc2Br)CC1 ZINC000500905393 564965465 /nfs/dbraw/zinc/96/54/65/564965465.db2.gz JIZKLCYFESVCBK-UHFFFAOYSA-N 1 0 388.375 2.585 20 0 GFADRO CCOc1c(Cl)cc(NC(=O)C(=O)N[C@@H]2CCC[N@H+](C)[C@@H]2C)cc1Cl ZINC000467543323 564966674 /nfs/dbraw/zinc/96/66/74/564966674.db2.gz NWWXDDPGPUSELM-QMTHXVAHSA-N 1 0 388.295 2.930 20 0 GFADRO Cc1nn(-c2ccc(C(=O)NCC[NH+]3CCC3)cc2)c(C)c1Br ZINC000533566731 564966834 /nfs/dbraw/zinc/96/68/34/564966834.db2.gz GTPIYHUQSPABDI-UHFFFAOYSA-N 1 0 377.286 2.687 20 0 GFADRO COc1cc(Br)ccc1CNCC(=O)NCC[NH+]1CCCCCC1 ZINC000560544706 564967519 /nfs/dbraw/zinc/96/75/19/564967519.db2.gz DXHFHMVOAXGQHB-UHFFFAOYSA-N 1 0 398.345 2.540 20 0 GFADRO COCC1([NH2+]Cc2cc(Br)c3c(c2)OCCCO3)CCOCC1 ZINC000560559098 564968344 /nfs/dbraw/zinc/96/83/44/564968344.db2.gz XFYMUHCVCQAAGE-UHFFFAOYSA-N 1 0 386.286 2.896 20 0 GFADRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1cn(-c2ccc(Br)cc2)cn1 ZINC000533694594 564970325 /nfs/dbraw/zinc/97/03/25/564970325.db2.gz YQSPMWBNPWJRHW-WBMJQRKESA-N 1 0 389.297 2.847 20 0 GFADRO C[C@H]([NH2+]CCc1ccc(S(N)(=O)=O)cc1)c1nc(C(F)(F)F)cs1 ZINC000467742142 564970941 /nfs/dbraw/zinc/97/09/41/564970941.db2.gz UUQOFCBQNOWIGP-VIFPVBQESA-N 1 0 379.429 2.703 20 0 GFADRO CN1CCO[C@H]([C@H](NC[C@]2([NH+](C)C)CCSC2)c2ccc(Cl)cc2)C1 ZINC000467750646 564971199 /nfs/dbraw/zinc/97/11/99/564971199.db2.gz AMJJHGUPXCCURE-IPMKNSEASA-N 1 0 383.989 2.739 20 0 GFADRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1ccc(I)cc1 ZINC000560759829 564975060 /nfs/dbraw/zinc/97/50/60/564975060.db2.gz GJHFTDXPJANJCN-WFASDCNBSA-N 1 0 384.261 2.990 20 0 GFADRO COc1ccc(-c2ncc(C(=O)N3C[C@@H](SC)[C@@H]([NH+](C)C)C3)s2)cc1 ZINC000534093280 564979848 /nfs/dbraw/zinc/97/98/48/564979848.db2.gz HGMRLNAXKLSWMY-GOEBONIOSA-N 1 0 377.535 2.936 20 0 GFADRO C[C@@H](C[NH+]1CCOCC1)C(=O)Nc1cccc2cc(Br)cnc21 ZINC000561042116 564981922 /nfs/dbraw/zinc/98/19/22/564981922.db2.gz HVWZXUQLQGJWOK-LBPRGKRZSA-N 1 0 378.270 2.904 20 0 GFADRO Cn1ccnc1[C@@H](NC(=O)C[N@H+](C)[C@H]1CCSC1)c1ccc(Cl)cc1 ZINC000534268737 564983480 /nfs/dbraw/zinc/98/34/80/564983480.db2.gz PHNZEUAFAHYIDB-RDJZCZTQSA-N 1 0 378.929 2.716 20 0 GFADRO COC(=O)[C@H](c1cccc(Br)c1)N(C)C(=O)C[NH+]1CCC(C)CC1 ZINC000501644398 564984379 /nfs/dbraw/zinc/98/43/79/564984379.db2.gz KLHJZWCIYRVJTG-KRWDZBQOSA-N 1 0 397.313 2.854 20 0 GFADRO C[N@H+](CC(=O)N[C@H]1COc2cc(F)c(Br)cc21)[C@@H]1CCSC1 ZINC000501676081 564984385 /nfs/dbraw/zinc/98/43/85/564984385.db2.gz CLYTTYWZAXFOGB-RNCFNFMXSA-N 1 0 389.290 2.575 20 0 GFADRO CC[C@@H]1CN(C(=O)c2ccc(C[NH+]3CCSCC3)cc2)C[C@@H](C)[S@@]1=O ZINC000561201482 564986961 /nfs/dbraw/zinc/98/69/61/564986961.db2.gz BVLDCRRIKIESQJ-JTJQLJSMSA-N 1 0 380.579 2.607 20 0 GFADRO CC[C@@H]1CN(C(=O)c2ccc(C[NH+]3CCSCC3)cc2)C[C@@H](C)[S@]1=O ZINC000561201480 564987275 /nfs/dbraw/zinc/98/72/75/564987275.db2.gz BVLDCRRIKIESQJ-LNJIKXCHSA-N 1 0 380.579 2.607 20 0 GFADRO C[N@@H+]1CCCN(C(=O)[C@H](c2ccc(Cl)cc2Cl)N2CCOCC2)CC1 ZINC000534601590 564992217 /nfs/dbraw/zinc/99/22/17/564992217.db2.gz KTMIFQYLFQOOSX-KRWDZBQOSA-N 1 0 386.323 2.531 20 0 GFADRO O=C(NCCCOc1ncc(C(F)(F)F)cc1Cl)NCC[NH+]1CCC1 ZINC000534579137 564992528 /nfs/dbraw/zinc/99/25/28/564992528.db2.gz CECACCDPGKTRTB-UHFFFAOYSA-N 1 0 380.798 2.528 20 0 GFADRO C[C@H](NC(=O)C(=O)N1CC[C@@H]2CC[N@H+](C)C[C@H]21)c1cccc(Cl)c1Cl ZINC000502308125 564995568 /nfs/dbraw/zinc/99/55/68/564995568.db2.gz YNDNSOGLMANPMW-SLEUVZQESA-N 1 0 384.307 2.723 20 0 GFADRO CCn1ccnc1C[NH2+]CCCNC(=O)c1cc(OC)ccc1Br ZINC000561483166 564996772 /nfs/dbraw/zinc/99/67/72/564996772.db2.gz FDUFPJFUTGSSPC-UHFFFAOYSA-N 1 0 395.301 2.584 20 0 GFADRO COc1c(Br)c(C)sc1C(=O)N1C[C@@H]([NH+](C)C)[C@@H](SC)C1 ZINC000534828579 564998161 /nfs/dbraw/zinc/99/81/61/564998161.db2.gz JGWQTMUCYIOLIA-ZJUUUORDSA-N 1 0 393.372 2.945 20 0 GFADRO CC1(C)CNC(=O)CN1Cc1ccnc(-c2ccc(Br)cc2)n1 ZINC000502506112 565000419 /nfs/dbraw/zinc/00/04/19/565000419.db2.gz DEEPGFVZTPBFOX-UHFFFAOYSA-N 1 0 375.270 2.617 20 0 GFADRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)[C@H](C)Cc3ccc(Br)cc3)[C@H]2C1 ZINC000502634669 565002613 /nfs/dbraw/zinc/00/26/13/565002613.db2.gz MPTLWFQJRKSPAT-FHLIZLRMSA-N 1 0 395.341 2.949 20 0 GFADRO CSCC[C@@H](C)[N@H+](C)CC(=O)N(C)CC(=O)Nc1ccccc1SC ZINC000535092368 565004532 /nfs/dbraw/zinc/00/45/32/565004532.db2.gz HPYHACDDYZCHFG-CQSZACIVSA-N 1 0 383.583 2.879 20 0 GFADRO CCO[C@H](CC[NH+](C)C)CNC(=O)c1ccc(Br)c(C)c1F ZINC000469104455 565005257 /nfs/dbraw/zinc/00/52/57/565005257.db2.gz UNAWURTURDDDHE-GFCCVEGCSA-N 1 0 375.282 2.983 20 0 GFADRO CC[NH+](CC)CCO[C@H]1CCN(S(=O)(=O)c2cc(F)cc(Cl)c2)C1 ZINC000535140076 565005342 /nfs/dbraw/zinc/00/53/42/565005342.db2.gz CCYHZKHYTZMJKL-HNNXBMFYSA-N 1 0 378.897 2.601 20 0 GFADRO OCC[C@@H]1CCC[C@H]1[NH2+]C[C@H](O)COc1ccc(Cl)cc1Br ZINC000502868157 565007617 /nfs/dbraw/zinc/00/76/17/565007617.db2.gz HEBQPZYMVKZJDE-CORIIIEPSA-N 1 0 392.721 2.983 20 0 GFADRO C[C@@H]1C[C@H]1[N@@H+]1CCN(C(=O)Cc2ccc(Br)cc2O)C[C@@H](C)C1 ZINC000561762374 565008034 /nfs/dbraw/zinc/00/80/34/565008034.db2.gz SRTHEBJFXSAQKX-WOSRLPQWSA-N 1 0 381.314 2.886 20 0 GFADRO O=C(NCCNc1cc[nH+]cc1)N[C@@H]1C[C@@H]1c1cccc(Br)c1 ZINC000535263234 565008641 /nfs/dbraw/zinc/00/86/41/565008641.db2.gz SCWLPKHGYQFOLX-HZPDHXFCSA-N 1 0 375.270 2.533 20 0 GFADRO CC[N@H+](C)Cc1cccc(CNC(=O)c2cc[nH]c(=O)c2Br)c1 ZINC000469198687 565009404 /nfs/dbraw/zinc/00/94/04/565009404.db2.gz OOQACTRTVXCALJ-UHFFFAOYSA-N 1 0 378.270 2.931 20 0 GFADRO COCC[NH+]1CCC(NC(=O)c2cc(Br)cc3cccnc32)CC1 ZINC000535479077 565013885 /nfs/dbraw/zinc/01/38/85/565013885.db2.gz HENHNRBVFJSBNE-UHFFFAOYSA-N 1 0 392.297 2.838 20 0 GFADRO CS[C@@H]1CN(S(=O)(=O)Cc2cc(Cl)cc(Cl)c2)C[C@@H]1[NH+](C)C ZINC000503223656 565014405 /nfs/dbraw/zinc/01/44/05/565014405.db2.gz ODGDKMUQJFYYDA-UONOGXRCSA-N 1 0 383.366 2.801 20 0 GFADRO COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N[C@@H](C)C[N@H+](C)C(C)C ZINC000562009350 565015230 /nfs/dbraw/zinc/01/52/30/565015230.db2.gz MJMFXWQNEUBCOK-UONOGXRCSA-N 1 0 392.949 2.761 20 0 GFADRO CS[C@H]1CN(C(=O)C2(c3cccc(Br)c3)CC2)C[C@H]1[NH+](C)C ZINC000535543699 565015667 /nfs/dbraw/zinc/01/56/67/565015667.db2.gz XKQGJNMDGHZWIN-CABCVRRESA-N 1 0 383.355 2.985 20 0 GFADRO Cc1ccc(Br)c(NC(=O)C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)c1 ZINC000535623084 565016846 /nfs/dbraw/zinc/01/68/46/565016846.db2.gz NJRCVCTXHSTXGI-CQSZACIVSA-N 1 0 394.313 2.783 20 0 GFADRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CC(=O)Nc2ccc(Br)cc21 ZINC000469412520 565016935 /nfs/dbraw/zinc/01/69/35/565016935.db2.gz TZIWCVSEGTZXBZ-UKRRQHHQSA-N 1 0 394.313 2.866 20 0 GFADRO C[NH+](C)[C@]1(CNC(=O)c2cc(Br)c(F)cc2F)CCSC1 ZINC000469539827 565019881 /nfs/dbraw/zinc/01/98/81/565019881.db2.gz LCQQIIGIPZNZER-AWEZNQCLSA-N 1 0 379.270 2.894 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)c2cc[nH]c(=O)c2Br)C[N@@H+]1Cc1ccccc1 ZINC000469581134 565021470 /nfs/dbraw/zinc/02/14/70/565021470.db2.gz SIMSATRGUIEPKK-OCCSQVGLSA-N 1 0 390.281 2.943 20 0 GFADRO Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)[C@@H](C)[C@@H](C)S(C)(=O)=O ZINC000469634200 565023073 /nfs/dbraw/zinc/02/30/73/565023073.db2.gz RTZSNUWHCRVQTD-LSDHHAIUSA-N 1 0 384.567 2.552 20 0 GFADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)C[C@@](C)(O)C1CC1 ZINC000535918961 565025136 /nfs/dbraw/zinc/02/51/36/565025136.db2.gz NZSYOSSITLQGPY-GOSISDBHSA-N 1 0 383.330 2.890 20 0 GFADRO CC[C@@H](C[N@H+](C)C[C@H](O)CN1CCOCC1)Oc1ccc(Cl)c(Cl)c1 ZINC000469743614 565025560 /nfs/dbraw/zinc/02/55/60/565025560.db2.gz URTYTXZIZXVYID-GJZGRUSLSA-N 1 0 391.339 2.776 20 0 GFADRO COc1ccc(CC[NH2+][C@H](C)c2csc(C(C)C)n2)cc1S(N)(=O)=O ZINC000469772253 565027197 /nfs/dbraw/zinc/02/71/97/565027197.db2.gz KNXNKVSNDQDMIO-GFCCVEGCSA-N 1 0 383.539 2.816 20 0 GFADRO Cc1ccc(S(=O)(=O)N2CC[C@H](OCC[NH+]3CCCCC3)C2)c(Cl)c1 ZINC000469801179 565027876 /nfs/dbraw/zinc/02/78/76/565027876.db2.gz OGNSSOXQAOYCSR-INIZCTEOSA-N 1 0 386.945 2.914 20 0 GFADRO Cc1ccc(Br)c(C)c1C(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000562402508 565028096 /nfs/dbraw/zinc/02/80/96/565028096.db2.gz BTJBEZQXRFXUGH-UHFFFAOYSA-N 1 0 382.346 2.823 20 0 GFADRO NC(=O)[C@H]1CCCN1CCC[NH2+][C@@H]1CCCc2ccc(Br)cc21 ZINC000536175084 565031134 /nfs/dbraw/zinc/03/11/34/565031134.db2.gz CACZAAUYOUVGFE-IAGOWNOFSA-N 1 0 380.330 2.756 20 0 GFADRO O=C(NCC[NH2+]Cc1ccc(-c2cccc(Br)c2)o1)c1ccn[nH]1 ZINC000503948898 565031895 /nfs/dbraw/zinc/03/18/95/565031895.db2.gz CTXZVIMUPJQROW-UHFFFAOYSA-N 1 0 389.253 2.952 20 0 GFADRO O[C@@H]1C[C@@H]([C@H]2CCCOC2)[N@H+](Cc2cc3c(cc2Br)OCCO3)C1 ZINC000562543382 565032206 /nfs/dbraw/zinc/03/22/06/565032206.db2.gz LKHRXNNFFUEQMM-BJJXKVORSA-N 1 0 398.297 2.582 20 0 GFADRO CC(C)c1cc(Br)ccc1NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000536367165 565035136 /nfs/dbraw/zinc/03/51/36/565035136.db2.gz QOUPOBSQIGHOEV-CYBMUJFWSA-N 1 0 394.313 2.864 20 0 GFADRO CN1CCO[C@@H](C(=O)Nc2ccc(Oc3ncc(Cl)cn3)c(Cl)c2)C1 ZINC000562606394 565035267 /nfs/dbraw/zinc/03/52/67/565035267.db2.gz VMTUVULHXLODPR-CQSZACIVSA-N 1 0 383.235 2.845 20 0 GFADRO Cc1cc(C(=O)N2CCC[C@H]3C[NH2+]C[C@H]32)nn1-c1ccc(Br)cc1 ZINC000562668008 565038130 /nfs/dbraw/zinc/03/81/30/565038130.db2.gz SXIIMQAZIPLCKI-SUMWQHHRSA-N 1 0 389.297 2.767 20 0 GFADRO COc1ccc2c(c1)OC[C@@H]([NH2+][C@H](C(N)=O)c1ccc(Br)cc1)C2 ZINC000504377559 565038702 /nfs/dbraw/zinc/03/87/02/565038702.db2.gz YKLZLZYELJCRHD-YOEHRIQHSA-N 1 0 391.265 2.577 20 0 GFADRO C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)CCNC(=O)Nc1ccc(Br)cc1 ZINC000536606332 565042856 /nfs/dbraw/zinc/04/28/56/565042856.db2.gz IXBFVDHGRMPIKM-STQMWFEESA-N 1 0 397.317 2.512 20 0 GFADRO O=C(NCCc1c[nH]c2cccc(Br)c12)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000562811439 565044038 /nfs/dbraw/zinc/04/40/38/565044038.db2.gz ROTGQYDSRNPPJT-SFHVURJKSA-N 1 0 391.313 2.868 20 0 GFADRO C[N@H+]1C[C@H]2CN(C(=O)c3cc(I)ccc3Cl)C[C@H]2C1 ZINC000470439575 565046126 /nfs/dbraw/zinc/04/61/26/565046126.db2.gz WUYSEPXJIQCDNM-AOOOYVTPSA-N 1 0 390.652 2.578 20 0 GFADRO C[C@@H]1[C@H](C)[N@H+](C)CCN1CC(=O)Nc1c(F)cc(F)cc1Br ZINC000536740628 565046897 /nfs/dbraw/zinc/04/68/97/565046897.db2.gz DUIKONRIXTWXSA-VHSXEESVSA-N 1 0 376.245 2.690 20 0 GFADRO CCS(=O)(=O)c1ccc(Sc2ccccc2C(=O)N[C@H](C)C[NH3+])cc1 ZINC000470467420 565047913 /nfs/dbraw/zinc/04/79/13/565047913.db2.gz OYGFXPBRHVVQCC-CYBMUJFWSA-N 1 0 378.519 2.708 20 0 GFADRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NCc1nnc(-c2ccc(Br)cc2)[nH]1 ZINC000536908620 565049664 /nfs/dbraw/zinc/04/96/64/565049664.db2.gz GRSZBCIENMQWRD-NHYWBVRUSA-N 1 0 376.302 2.807 20 0 GFADRO CO[C@H]1CCN(C(=O)CSCc2cc(-c3cccs3)on2)[C@H](C[NH3+])C1 ZINC000562977294 565050663 /nfs/dbraw/zinc/05/06/63/565050663.db2.gz FAERKTFNSXXTFE-KBPBESRZSA-N 1 0 381.523 2.601 20 0 GFADRO O[C@@H](C[NH2+]CCCCn1cc(Br)cn1)COc1ccccc1F ZINC000563003943 565051501 /nfs/dbraw/zinc/05/15/01/565051501.db2.gz YPUYSEUPGSXXOL-AWEZNQCLSA-N 1 0 386.265 2.594 20 0 GFADRO CC[NH+]1CCN(CC(=O)N2CC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)CC1 ZINC000470714498 565054232 /nfs/dbraw/zinc/05/42/32/565054232.db2.gz PDPIYPSZFFUZAW-HNNXBMFYSA-N 1 0 386.323 2.611 20 0 GFADRO CC[NH+]1CCN(CC(=O)N(C)C[C@H](C)Oc2ccc(Cl)c(Cl)c2)CC1 ZINC000470738115 565054411 /nfs/dbraw/zinc/05/44/11/565054411.db2.gz SLQFXPOXXZOQSQ-AWEZNQCLSA-N 1 0 388.339 2.857 20 0 GFADRO O=S(=O)(c1ccc(F)cc1C(F)(F)F)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000563129189 565056391 /nfs/dbraw/zinc/05/63/91/565056391.db2.gz DOBGHCOIZXRZEN-NEPJUHHUSA-N 1 0 380.407 2.855 20 0 GFADRO O=S(=O)(c1csc(-c2ccccc2)n1)N1CCC2(CC[NH2+]CC2)CC1 ZINC000563121638 565056483 /nfs/dbraw/zinc/05/64/83/565056483.db2.gz XMLQTQXLSGRSOR-UHFFFAOYSA-N 1 0 377.535 2.964 20 0 GFADRO O=S1(=O)CC[C@@]2(C1)C[C@@H]([NH2+]Cc1ncc(-c3ccccc3)s1)CCO2 ZINC000537385157 565057723 /nfs/dbraw/zinc/05/77/23/565057723.db2.gz JYVAVLMQMXTDOY-YJBOKZPZSA-N 1 0 378.519 2.636 20 0 GFADRO COCCOCC[N@H+](C)CCC(=O)Nc1cc(F)c(Br)cc1C ZINC000635809785 565076424 /nfs/dbraw/zinc/07/64/24/565076424.db2.gz ABOPUDVMBCRFEC-UHFFFAOYSA-N 1 0 391.281 2.820 20 0 GFADRO C[C@@H](NC[C@@H](O)C[N@H+](C)Cc1ccccc1)c1ccc(Br)cn1 ZINC000684622353 565076971 /nfs/dbraw/zinc/07/69/71/565076971.db2.gz PYQVSSMHJUQJSG-RHSMWYFYSA-N 1 0 378.314 2.988 20 0 GFADRO C[C@H](O)C[N@@H+]1CCN(C(=O)Cc2c(Cl)cccc2Br)[C@@H](C)C1 ZINC000613654363 565077119 /nfs/dbraw/zinc/07/71/19/565077119.db2.gz AWEDQKSGJMYOKO-RYUDHWBXSA-N 1 0 389.721 2.559 20 0 GFADRO Cc1ccc(F)c(NC(=O)C(=O)N(C)CCCC[NH+](C)C)c1Br ZINC000684640116 565077322 /nfs/dbraw/zinc/07/73/22/565077322.db2.gz KTBILXDBWHAOFR-UHFFFAOYSA-N 1 0 388.281 2.635 20 0 GFADRO CCS(=O)(=O)N1CCC(C[NH2+]Cc2cc(O)cc(C(F)(F)F)c2)CC1 ZINC000584380296 565078053 /nfs/dbraw/zinc/07/80/53/565078053.db2.gz UJWIBCYVYDVYQL-UHFFFAOYSA-N 1 0 380.432 2.562 20 0 GFADRO O[C@H]1CCC[C@H]1[NH+]1CCN(Cc2c(F)ccc(Br)c2F)CC1 ZINC000684770604 565082582 /nfs/dbraw/zinc/08/25/82/565082582.db2.gz VUBDRMFCNXWHDR-CABCVRRESA-N 1 0 375.257 2.758 20 0 GFADRO CS(=O)(=O)N1CCC([NH2+][C@H]2C[C@H](c3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000684774352 565082741 /nfs/dbraw/zinc/08/27/41/565082741.db2.gz YWDXAULCZRUOFI-SAZUREKKSA-N 1 0 376.444 2.965 20 0 GFADRO CCOCC(C)(C)[NH2+]CC(=O)Nc1ccc(I)cc1C ZINC000584482802 565082742 /nfs/dbraw/zinc/08/27/42/565082742.db2.gz MBURPZMLHFRAFK-UHFFFAOYSA-N 1 0 390.265 2.943 20 0 GFADRO C[NH+](C)[C@H]1C[C@@H](NC(=O)c2cc(=O)c3cc(Br)ccc3[nH]2)C1(C)C ZINC000636093638 565089738 /nfs/dbraw/zinc/08/97/38/565089738.db2.gz XYOIJHVIHXJNRQ-CVEARBPZSA-N 1 0 392.297 2.749 20 0 GFADRO C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N[C@H]1C[C@@H]([NH+]2CCCC2)C1 ZINC000636096199 565090317 /nfs/dbraw/zinc/09/03/17/565090317.db2.gz UMGMRHNPNVCOLH-RWMBFGLXSA-N 1 0 384.307 2.855 20 0 GFADRO COc1cc(C(=O)N[C@H]2C[C@@H]([NH+]3CCCC3)C2)cc(Br)c1OC ZINC000636101113 565090424 /nfs/dbraw/zinc/09/04/24/565090424.db2.gz KIMAYOSYDOJSSN-BETUJISGSA-N 1 0 383.286 2.823 20 0 GFADRO CCc1nnc(S[C@H](C)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC000657272708 565094658 /nfs/dbraw/zinc/09/46/58/565094658.db2.gz MRXMTXNYDYBCGF-UKRRQHHQSA-N 1 0 376.551 2.972 20 0 GFADRO Cc1nc(C)c(S(=O)(=O)N2CC[C@@H]([N@H+](C)CCc3ccccc3)C2)s1 ZINC000584731791 565094719 /nfs/dbraw/zinc/09/47/19/565094719.db2.gz JFTFGVKBVGWNNW-QGZVFWFLSA-N 1 0 379.551 2.697 20 0 GFADRO CCCN(CCC[NH+](C)C)C(=O)C(=O)NCc1cc(Br)ccc1C ZINC000685101730 565096337 /nfs/dbraw/zinc/09/63/37/565096337.db2.gz HAXUKNCFWZKZMS-UHFFFAOYSA-N 1 0 398.345 2.564 20 0 GFADRO Fc1ccc(OC(F)F)c(C[NH2+]C[C@@]2(N3CCOCC3)CCSC2)c1 ZINC000657326534 565097736 /nfs/dbraw/zinc/09/77/36/565097736.db2.gz OEXCLYSZIMRSOX-KRWDZBQOSA-N 1 0 376.444 2.725 20 0 GFADRO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2cncc(Br)c2C)cc1 ZINC000657328493 565097940 /nfs/dbraw/zinc/09/79/40/565097940.db2.gz XOVSZLZZXXXEFP-GFCCVEGCSA-N 1 0 398.326 2.911 20 0 GFADRO CC[NH+](CC)[C@@H]1CCN(S(=O)(=O)c2c(F)cccc2OC(F)(F)F)C1 ZINC000584796484 565098638 /nfs/dbraw/zinc/09/86/38/565098638.db2.gz DSWMMGSWBKYJOB-LLVKDONJSA-N 1 0 384.395 2.829 20 0 GFADRO Cc1ncsc1-c1ccc(C[NH2+]CCS(=O)(=O)NCC2CCC2)cc1 ZINC000657359866 565099488 /nfs/dbraw/zinc/09/94/88/565099488.db2.gz ZWWLOPUVWBISGM-UHFFFAOYSA-N 1 0 379.551 2.928 20 0 GFADRO O=C1COc2ccccc2N1CCC[NH2+]Cc1c(F)cncc1Br ZINC000657380182 565100295 /nfs/dbraw/zinc/10/02/95/565100295.db2.gz IBIHCPPPXVOHEY-UHFFFAOYSA-N 1 0 394.244 2.889 20 0 GFADRO Cc1c(Br)cncc1CNc1cc(C(N)=O)ccc1C[NH+](C)C ZINC000657411246 565100341 /nfs/dbraw/zinc/10/03/41/565100341.db2.gz VMJAAPITDMYBCC-UHFFFAOYSA-N 1 0 377.286 2.925 20 0 GFADRO OC[C@@H](C[NH2+]Cc1ccnn1CC1CC1)Cc1cccc(Br)c1 ZINC000657449354 565102091 /nfs/dbraw/zinc/10/20/91/565102091.db2.gz VRMYAKXPAPFGEF-MRXNPFEDSA-N 1 0 378.314 2.996 20 0 GFADRO Cc1ccc(C[C@@H](CO)C[NH2+]Cc2cc3n(n2)CCC3)cc1Br ZINC000657483731 565103031 /nfs/dbraw/zinc/10/30/31/565103031.db2.gz OHCCPJJUMCYEMQ-OAHLLOKOSA-N 1 0 378.314 2.841 20 0 GFADRO OC[C@H](C[NH2+]Cc1cn(C2CCC2)nn1)Cc1cc(Br)ccc1F ZINC000657483835 565103397 /nfs/dbraw/zinc/10/33/97/565103397.db2.gz PDYHXTWXPPIEOP-LBPRGKRZSA-N 1 0 397.292 2.846 20 0 GFADRO O=C(NCCC[NH+]1CCCCC1)C(=O)Nc1cccc(Br)c1F ZINC000657513756 565104719 /nfs/dbraw/zinc/10/47/19/565104719.db2.gz SVSPJEXFOXPYHX-UHFFFAOYSA-N 1 0 386.265 2.519 20 0 GFADRO O=C(NCC[NH+]1CCCCCC1)C(=O)Nc1cccc(Br)c1F ZINC000657522226 565106189 /nfs/dbraw/zinc/10/61/89/565106189.db2.gz IVFWATJSEULBNQ-UHFFFAOYSA-N 1 0 386.265 2.519 20 0 GFADRO CC[C@@H]1C[N@H+](C)CCCN1C(=O)c1cc(Br)cc2[nH]c(=O)[nH]c21 ZINC000614340412 565107753 /nfs/dbraw/zinc/10/77/53/565107753.db2.gz BAFGLNCQECIFBH-LLVKDONJSA-N 1 0 381.274 2.587 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@H](NCc2cn(-c3ccccc3Br)nn2)C1 ZINC000657561555 565109018 /nfs/dbraw/zinc/10/90/18/565109018.db2.gz BIMSKWCHLSBVKD-ZDUSSCGKSA-N 1 0 378.318 2.992 20 0 GFADRO CC[C@H]1C[N@H+](C)CCCN1S(=O)(=O)c1ccc(F)c(Br)c1 ZINC000685510270 565109502 /nfs/dbraw/zinc/10/95/02/565109502.db2.gz WWTFMWKZKPGWBG-NSHDSACASA-N 1 0 379.295 2.693 20 0 GFADRO OCCO[C@@]1(C[NH2+]Cc2ccc(Br)cc2C(F)(F)F)CCOC1 ZINC000657597341 565111538 /nfs/dbraw/zinc/11/15/38/565111538.db2.gz MGZNHNKKNNKLHZ-CQSZACIVSA-N 1 0 398.219 2.726 20 0 GFADRO C[C@@H]1CC[C@H]([NH2+]C2CCN(Cc3c(F)cccc3Cl)CC2)CS1(=O)=O ZINC000657638968 565115424 /nfs/dbraw/zinc/11/54/24/565115424.db2.gz NZLAFZKYNQBEIJ-HIFRSBDPSA-N 1 0 388.936 2.999 20 0 GFADRO CCC[N@H+](CC)C[C@H](C)NS(=O)(=O)c1cc(F)ccc1Br ZINC000685611661 565116309 /nfs/dbraw/zinc/11/63/09/565116309.db2.gz UESJCBZAXUSBPE-NSHDSACASA-N 1 0 381.311 2.987 20 0 GFADRO OC[C@H](C[NH2+]Cc1ccc(Br)cc1N1CCOCC1)CC1CC1 ZINC000657715226 565121642 /nfs/dbraw/zinc/12/16/42/565121642.db2.gz KUGVUQYZABMXCF-HNNXBMFYSA-N 1 0 383.330 2.784 20 0 GFADRO CCC[N@@H+]1CC[C@H](NCc2cc(Br)ccc2O[C@H](C)C(=O)NC)C1 ZINC000657742307 565125846 /nfs/dbraw/zinc/12/58/46/565125846.db2.gz POAHRRZGFZUAPE-CJNGLKHVSA-N 1 0 398.345 2.536 20 0 GFADRO CN(C)CC[N@H+](C)CCCNC(=O)c1cc2ccc(Br)cc2[nH]1 ZINC000685861830 565128301 /nfs/dbraw/zinc/12/83/01/565128301.db2.gz QFNZAGQFPKOSRD-UHFFFAOYSA-N 1 0 381.318 2.544 20 0 GFADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+]C[C@@H]1CCOC1(C)C ZINC000657784916 565130084 /nfs/dbraw/zinc/13/00/84/565130084.db2.gz ALEMRWMWOOFRLY-OCCSQVGLSA-N 1 0 399.329 2.867 20 0 GFADRO CC(C)[C@@H](Cc1ccc(Br)cc1)[NH2+]CCCNS(C)(=O)=O ZINC000657827581 565132625 /nfs/dbraw/zinc/13/26/25/565132625.db2.gz NPULVODIVFRADN-OAHLLOKOSA-N 1 0 377.348 2.545 20 0 GFADRO COC[C@@H](CC1CCOCC1)[NH2+]CCNC(=O)c1ccc(Br)cc1 ZINC000657846516 565133295 /nfs/dbraw/zinc/13/32/95/565133295.db2.gz YXSZHIQREFXAFH-QGZVFWFLSA-N 1 0 399.329 2.600 20 0 GFADRO CSc1ccc(Cl)c(NC(=O)C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)c1 ZINC000657859031 565133902 /nfs/dbraw/zinc/13/39/02/565133902.db2.gz PEGWDTGVJHJOLE-LRDDRELGSA-N 1 0 381.929 2.943 20 0 GFADRO CC(C)[NH+]1CCC(C(=O)N2CC(=O)Nc3ccc(Br)cc32)CC1 ZINC000637049725 565135466 /nfs/dbraw/zinc/13/54/66/565135466.db2.gz CUCRVFFBPJAHIV-UHFFFAOYSA-N 1 0 380.286 2.855 20 0 GFADRO CC[C@H](Cc1ccc(Br)cc1)[NH2+][C@@H](CC)C(=O)N1CCOCC1 ZINC000657901905 565135549 /nfs/dbraw/zinc/13/55/49/565135549.db2.gz INZBXCAVMDXIOI-SJORKVTESA-N 1 0 383.330 2.997 20 0 GFADRO CC[C@H](Cc1ccc(Br)cc1)[NH2+]CCS(=O)(=O)NC(C)C ZINC000657911891 565136417 /nfs/dbraw/zinc/13/64/17/565136417.db2.gz QHXISILOBBQZRO-OAHLLOKOSA-N 1 0 377.348 2.688 20 0 GFADRO C[C@@H]([NH2+]C[C@@H](O)CS(=O)(=O)c1cccs1)c1cc2ccncc2s1 ZINC000657929965 565138017 /nfs/dbraw/zinc/13/80/17/565138017.db2.gz HQSRZUPLGYSAAZ-DGCLKSJQSA-N 1 0 382.532 2.843 20 0 GFADRO C[C@@H]1COCC[N@@H+]1C1CCN(C(=O)c2cccc(Br)c2F)CC1 ZINC000615085671 565143626 /nfs/dbraw/zinc/14/36/26/565143626.db2.gz HUXOIBUGZCHKRH-GFCCVEGCSA-N 1 0 385.277 2.914 20 0 GFADRO Cc1nnc(CCNC(=O)N[C@@H]2CCN(C)[C@@H]2c2ccc(Cl)cc2)s1 ZINC000637227794 565146113 /nfs/dbraw/zinc/14/61/13/565146113.db2.gz JKGRHPQQVJHLOP-GDBMZVCRSA-N 1 0 379.917 2.787 20 0 GFADRO COc1ccc(Br)cc1C[C@H](CO)C[NH2+][C@@H]1COC2(CCC2)C1 ZINC000658032349 565146909 /nfs/dbraw/zinc/14/69/09/565146909.db2.gz QQKLZHGYYPQETJ-BBRMVZONSA-N 1 0 384.314 2.910 20 0 GFADRO CCc1cccnc1[C@@H](C)[NH2+]CCNC(=O)c1ccc(Br)cn1 ZINC000658091307 565148819 /nfs/dbraw/zinc/14/88/19/565148819.db2.gz DIZRPNVUHKRUOZ-GFCCVEGCSA-N 1 0 377.286 2.882 20 0 GFADRO Cc1cc(Br)cc(NC(=O)C(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)c1 ZINC000658127530 565152167 /nfs/dbraw/zinc/15/21/67/565152167.db2.gz XBTTUTHEYDJQJF-AWEZNQCLSA-N 1 0 382.302 2.685 20 0 GFADRO C[N@@H+]1CCC[C@H]1[C@@H]1COCCN1C(=O)c1cc2cc(Br)sc2[nH]1 ZINC000615267866 565154192 /nfs/dbraw/zinc/15/41/92/565154192.db2.gz ZRMZNEMSAIKCTK-STQMWFEESA-N 1 0 398.326 2.927 20 0 GFADRO Cc1ccc(CC(=O)N2CCOC[C@@H]2[C@@H]2CCC[N@H+]2C)c(Br)c1 ZINC000615277347 565154553 /nfs/dbraw/zinc/15/45/53/565154553.db2.gz VKRFTRGTDROBBT-DLBZAZTESA-N 1 0 381.314 2.622 20 0 GFADRO O=C(CCNC(=O)[C@@H]1CCc2nc[nH]c2C1)Nc1cc(Cl)cc(Cl)c1 ZINC000615375186 565158675 /nfs/dbraw/zinc/15/86/75/565158675.db2.gz SYJKSMFEFAFBEK-SNVBAGLBSA-N 1 0 381.263 2.966 20 0 GFADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@@H](O)[C@H](C)c1ccccc1 ZINC000658340605 565159824 /nfs/dbraw/zinc/15/98/24/565159824.db2.gz PGFPHJOFGRDTFO-CKEIUWERSA-N 1 0 379.298 2.754 20 0 GFADRO CCN(C(=O)C(=O)Nc1cccc(Br)c1Cl)[C@@H]1CC[N@H+](C)C1 ZINC000658361199 565161028 /nfs/dbraw/zinc/16/10/28/565161028.db2.gz LUBCJRAGGGZXLD-SNVBAGLBSA-N 1 0 388.693 2.594 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CCCN(S(=O)(=O)c2cc(Cl)cc(Br)c2)C1 ZINC000658369304 565162369 /nfs/dbraw/zinc/16/23/69/565162369.db2.gz WDBDPOVTWPOKQY-NXEZZACHSA-N 1 0 381.723 2.850 20 0 GFADRO CC(C)(C[NH3+])NS(=O)(=O)c1cc(Cl)c(Cl)cc1Br ZINC000658366785 565162659 /nfs/dbraw/zinc/16/26/59/565162659.db2.gz GVGSFDPFRTUKMF-UHFFFAOYSA-N 1 0 376.103 2.772 20 0 GFADRO CN(C)CC[N@H+](C)CCCN(C)C(=O)NCc1ccsc1C(F)(F)F ZINC000637591886 565162908 /nfs/dbraw/zinc/16/29/08/565162908.db2.gz HQSXHEPSKZJACV-UHFFFAOYSA-N 1 0 380.480 2.792 20 0 GFADRO CN1C(=O)C[C@@H](C(=O)N2CC(C[NH+](C)C)C2)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000615505017 565162984 /nfs/dbraw/zinc/16/29/84/565162984.db2.gz DPXPTWDRPPOHPZ-CXAGYDPISA-N 1 0 384.307 2.533 20 0 GFADRO CCc1c(C(=O)N2CC(C[NH+](C)C)C2)cnn1-c1ccc(Br)cc1 ZINC000615513719 565163927 /nfs/dbraw/zinc/16/39/27/565163927.db2.gz WYDNHLMCTZJDJM-UHFFFAOYSA-N 1 0 391.313 2.831 20 0 GFADRO O=S(=O)(c1cc(Cl)ccc1OC(F)(F)F)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000658380296 565165085 /nfs/dbraw/zinc/16/50/85/565165085.db2.gz MWSFYKHRJQTEAG-GXSJLCMTSA-N 1 0 384.807 2.611 20 0 GFADRO CCCOc1ccc(Br)cc1S(=O)(=O)NC(C)(C)CC[NH3+] ZINC000658382185 565165989 /nfs/dbraw/zinc/16/59/89/565165989.db2.gz NWXXHACTRMZNHV-UHFFFAOYSA-N 1 0 379.320 2.644 20 0 GFADRO O=C(N[C@H]1[C@@H]2Cc3cc(Br)ccc3[C@@H]21)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000637650542 565166108 /nfs/dbraw/zinc/16/61/08/565166108.db2.gz MWXHVLDAVLXOBS-RANZSIQMSA-N 1 0 388.309 2.743 20 0 GFADRO O=S(=O)(c1ncccc1C(F)(F)F)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000658385694 565166087 /nfs/dbraw/zinc/16/60/87/565166087.db2.gz OTMDYVVQODLDCJ-ZDUSSCGKSA-N 1 0 377.432 2.501 20 0 GFADRO [NH3+]CC12CC(C1)CN2S(=O)(=O)c1cc(Br)cc(C(F)(F)F)c1 ZINC000658395316 565167125 /nfs/dbraw/zinc/16/71/25/565167125.db2.gz ALVVQDZKYAIAGY-UHFFFAOYSA-N 1 0 399.232 2.580 20 0 GFADRO O=S(=O)(C[C@H]1CCCC1(F)F)N[C@H]1C[NH2+]CC[C@H]1c1cccc(F)c1 ZINC000658392094 565167203 /nfs/dbraw/zinc/16/72/03/565167203.db2.gz UMCXHJMYACXEND-KBMXLJTQSA-N 1 0 376.444 2.626 20 0 GFADRO COc1cc(C(F)(F)F)cc(S(=O)(=O)N[C@@H]2CC[NH2+]C3(CCC3)C2)c1 ZINC000658402534 565168377 /nfs/dbraw/zinc/16/83/77/565168377.db2.gz QXTADKXXHNTEHO-GFCCVEGCSA-N 1 0 378.416 2.667 20 0 GFADRO CN(C)c1ncc(C[NH2+]C[C@H]2CCN(c3cccc(Br)c3)C2)cn1 ZINC000589644120 565168858 /nfs/dbraw/zinc/16/88/58/565168858.db2.gz CLPMLUHNFCHEJL-CQSZACIVSA-N 1 0 390.329 2.921 20 0 GFADRO COc1ccc(Br)cc1CC(=O)N1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000615616398 565169049 /nfs/dbraw/zinc/16/90/49/565169049.db2.gz IPNFCAZJZSABDE-SFHVURJKSA-N 1 0 381.314 2.945 20 0 GFADRO C[C@H](CCNC(=O)C(=O)N[C@H](c1ccc(Cl)cc1)C(F)(F)F)[NH+](C)C ZINC000658427041 565169263 /nfs/dbraw/zinc/16/92/63/565169263.db2.gz IAKHCULVXJSIHN-ZWNOBZJWSA-N 1 0 379.810 2.516 20 0 GFADRO COC(=O)c1cc(Br)cc(C(=O)N2CCC[C@@H]([NH2+]C(C)C)C2)c1 ZINC000589696801 565169566 /nfs/dbraw/zinc/16/95/66/565169566.db2.gz DUPLNHGOOWLWBZ-OAHLLOKOSA-N 1 0 383.286 2.838 20 0 GFADRO C[C@H](CCNC(=O)C(=O)Nc1cc(F)c(Br)cc1Cl)[NH+](C)C ZINC000658429075 565169712 /nfs/dbraw/zinc/16/97/12/565169712.db2.gz PFSVTXHKKWJNOF-MRVPVSSYSA-N 1 0 394.672 2.637 20 0 GFADRO CCN(C(=O)C(=O)Nc1ccc(C)cc1Br)[C@H]1CC[N@H+](CC)C1 ZINC000658464696 565171904 /nfs/dbraw/zinc/17/19/04/565171904.db2.gz SJOPUAZOSQQZKT-ZDUSSCGKSA-N 1 0 382.302 2.639 20 0 GFADRO C[C@H](NC(=O)N1CCC[N@H+](C)CC1)c1cc2c(cc1Br)OCCO2 ZINC000615751796 565173074 /nfs/dbraw/zinc/17/30/74/565173074.db2.gz RYWQIYXVIZVKMB-LBPRGKRZSA-N 1 0 398.301 2.628 20 0 GFADRO COc1cccc(C[C@H]([NH3+])C(=O)NCCc2ccc(Br)s2)c1 ZINC000637900295 565175574 /nfs/dbraw/zinc/17/55/74/565175574.db2.gz UXTKPLKLRVQYDP-AWEZNQCLSA-N 1 0 383.311 2.748 20 0 GFADRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(Cc2ccc(Cl)c(S(N)(=O)=O)c2)C1 ZINC000637952597 565178405 /nfs/dbraw/zinc/17/84/05/565178405.db2.gz PDVXUFUEZFSJJG-LZWOXQAQSA-N 1 0 385.961 2.825 20 0 GFADRO C[C@H](NC(=O)[C@@H]1OCC[C@@H]1[NH3+])c1nc(-c2ccc(Br)cc2)cs1 ZINC000638031952 565181325 /nfs/dbraw/zinc/18/13/25/565181325.db2.gz BVFNADIOVXAYMQ-DUFXMDAXSA-N 1 0 396.310 2.866 20 0 GFADRO C[C@@H](NC(=O)C1=CC[C@H]([NH3+])C1)c1nc(-c2ccc(Br)cc2)no1 ZINC000638046037 565181655 /nfs/dbraw/zinc/18/16/55/565181655.db2.gz XOGWLUYFBMGVMS-RNCFNFMXSA-N 1 0 377.242 2.724 20 0 GFADRO Cc1[nH][nH]c(=NC(=O)[C@H](C[NH+]2CCCC2)c2ccccc2)c1Br ZINC000616004534 565183371 /nfs/dbraw/zinc/18/33/71/565183371.db2.gz XPWXPDQLQNTLOO-CQSZACIVSA-N 1 0 377.286 2.721 20 0 GFADRO O=C(c1cc(Br)cc2nc[nH]c21)N1CCC2(CC[NH2+]CC2)CC1 ZINC000638202587 565188956 /nfs/dbraw/zinc/18/89/56/565188956.db2.gz UPBDATYENCRJRJ-UHFFFAOYSA-N 1 0 377.286 2.931 20 0 GFADRO O=C([C@@H]1[C@@H]2Cc3cc(Br)ccc3[C@@H]21)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000638233692 565189024 /nfs/dbraw/zinc/18/90/24/565189024.db2.gz IZWBQAFTIZZGTE-NTDBWNAOSA-N 1 0 375.310 2.937 20 0 GFADRO CO[C@@H]1C[NH2+][C@@](C)(C(=O)N2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)C1 ZINC000638293677 565190151 /nfs/dbraw/zinc/19/01/51/565190151.db2.gz NIBXRJDYOMILQM-JRPNMDOOSA-N 1 0 377.432 2.635 20 0 GFADRO O=C(c1cc(Br)cc2nc[nH]c21)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000638260829 565190195 /nfs/dbraw/zinc/19/01/95/565190195.db2.gz BAUYFZHEAYFKKV-VXGBXAGGSA-N 1 0 377.286 2.787 20 0 GFADRO CO[C@H]1C[NH2+][C@](C)(C(=O)N2CCC(c3ccc(Br)cc3)CC2)C1 ZINC000638300174 565191115 /nfs/dbraw/zinc/19/11/15/565191115.db2.gz NHOJDFJEVYXEJV-AEFFLSMTSA-N 1 0 381.314 2.922 20 0 GFADRO COCCOc1c(Cl)cc(NC(=O)[C@@]2(C)C[C@H](OC)C[NH2+]2)cc1Cl ZINC000638304782 565191445 /nfs/dbraw/zinc/19/14/45/565191445.db2.gz UJQWIXQRGRPJRO-MEDUHNTESA-N 1 0 377.268 2.724 20 0 GFADRO [NH3+]C[C@]1(C(=O)NCCc2csc(-c3ccc(Cl)cc3)n2)CCCOC1 ZINC000638377320 565193475 /nfs/dbraw/zinc/19/34/75/565193475.db2.gz HJWMDMULGAAJFK-GOSISDBHSA-N 1 0 379.913 2.878 20 0 GFADRO CC(C)(C[NH2+]Cc1ccc(S(N)(=O)=O)o1)c1ccc(Br)cc1 ZINC000638369235 565193629 /nfs/dbraw/zinc/19/36/29/565193629.db2.gz PVLNPWCJZYVJIR-UHFFFAOYSA-N 1 0 387.299 2.757 20 0 GFADRO CC(C)Oc1ccc(C[NH2+]Cc2cnn3cc(Br)cnc23)cn1 ZINC000638374965 565193767 /nfs/dbraw/zinc/19/37/67/565193767.db2.gz SUJGQHMEQXWIMP-UHFFFAOYSA-N 1 0 376.258 2.964 20 0 GFADRO C[C@@H]1CC2(CN1C(=O)c1ccc3cncc(Br)c3n1)CC[NH2+]CC2 ZINC000638367439 565193783 /nfs/dbraw/zinc/19/37/83/565193783.db2.gz VAXXZNHGHCWWMY-GFCCVEGCSA-N 1 0 389.297 2.997 20 0 GFADRO COc1cc(C(=O)N2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)ccc1Br ZINC000638384066 565194061 /nfs/dbraw/zinc/19/40/61/565194061.db2.gz MMSBIRMBEUBXFT-LZWOXQAQSA-N 1 0 397.313 2.816 20 0 GFADRO O=C(COc1ccc(Br)cn1)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000638420236 565195314 /nfs/dbraw/zinc/19/53/14/565195314.db2.gz VYZJFGKVXZHLGH-OAHLLOKOSA-N 1 0 392.253 2.523 20 0 GFADRO COc1cc(C(=O)N2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)ccc1Br ZINC000638393661 565195508 /nfs/dbraw/zinc/19/55/08/565195508.db2.gz SRYSSHVTJSENNI-YSVLISHTSA-N 1 0 397.313 2.959 20 0 GFADRO COc1cc(NC(=O)[C@]2(C)C[C@H](OC)C[NH2+]2)c(Cl)cc1Br ZINC000638426770 565196858 /nfs/dbraw/zinc/19/68/58/565196858.db2.gz WJPUJKSGENSUMQ-RTHLEPHNSA-N 1 0 377.666 2.817 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+]C[C@@H]2CCN(c3ccc(Cl)cc3)C2)s1 ZINC000638456174 565197017 /nfs/dbraw/zinc/19/70/17/565197017.db2.gz IJWFLOGYIRQKIX-LBPRGKRZSA-N 1 0 385.942 2.665 20 0 GFADRO FC(F)(F)CN1CCC([NH2+]Cc2cnn3cc(Br)cnc23)CC1 ZINC000638474801 565197643 /nfs/dbraw/zinc/19/76/43/565197643.db2.gz QBVZGSQUPCCXKR-UHFFFAOYSA-N 1 0 392.223 2.608 20 0 GFADRO C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)Nc2ccc(Cl)cc2Cl)CCO1 ZINC000658999161 565198311 /nfs/dbraw/zinc/19/83/11/565198311.db2.gz XWAKYWJZUHEUAB-CYBMUJFWSA-N 1 0 388.295 2.501 20 0 GFADRO CSc1ccc(NC(=O)c2cnnn2C2CC[NH2+]CC2)cc1Br ZINC000638469579 565198464 /nfs/dbraw/zinc/19/84/64/565198464.db2.gz YFYKEFCBNIBKND-UHFFFAOYSA-N 1 0 396.314 2.939 20 0 GFADRO COCC1(C(=O)N[C@@H](C)c2cc(F)c(Br)cc2F)CC[NH2+]CC1 ZINC000638494427 565199123 /nfs/dbraw/zinc/19/91/23/565199123.db2.gz DYYZEBLFLOEUQO-JTQLQIEISA-N 1 0 391.256 2.921 20 0 GFADRO COc1cc(NC(=O)N2CCCO[C@@H](C[NH3+])C2)c(Cl)cc1Br ZINC000659048432 565199159 /nfs/dbraw/zinc/19/91/59/565199159.db2.gz RQPFVOFVJRXBMC-VIFPVBQESA-N 1 0 392.681 2.693 20 0 GFADRO CO[C@@H]1C[NH2+][C@](C)(C(=O)N[C@@H](C)c2cc(F)c(Br)cc2F)C1 ZINC000638496689 565199374 /nfs/dbraw/zinc/19/93/74/565199374.db2.gz ZWPJWJNTWHLHOK-UTEYVOQOSA-N 1 0 377.229 2.672 20 0 GFADRO CCN(CC[NH3+])C(=O)c1ccc(NC(=O)c2ccc(Br)o2)cc1 ZINC000638519974 565200637 /nfs/dbraw/zinc/20/06/37/565200637.db2.gz BZTRHMIIUCTWLL-UHFFFAOYSA-N 1 0 380.242 2.715 20 0 GFADRO Cc1cc(Br)c(Cl)cc1NC(=O)C(=O)N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000659081244 565200931 /nfs/dbraw/zinc/20/09/31/565200931.db2.gz DYXLAUHOYICJLB-VHSXEESVSA-N 1 0 388.693 2.545 20 0 GFADRO CN(CC(C)(C)[NH3+])C(=O)C(=O)Nc1ccc(Br)cc1C(F)(F)F ZINC000659096700 565201802 /nfs/dbraw/zinc/20/18/02/565201802.db2.gz FTUKRTCIIOJHQA-UHFFFAOYSA-N 1 0 396.207 2.602 20 0 GFADRO CN(CC(C)(C)[NH3+])C(=O)C(=O)Nc1ccc(C(F)(F)F)c(Br)c1 ZINC000659089925 565201902 /nfs/dbraw/zinc/20/19/02/565201902.db2.gz KMCBOZFFCSZBKP-UHFFFAOYSA-N 1 0 396.207 2.602 20 0 GFADRO [NH3+]C1(CNC(=O)CCc2cc(Cl)ccc2Br)CCOCC1 ZINC000638539929 565201879 /nfs/dbraw/zinc/20/18/79/565201879.db2.gz VEFOMYYHJOMGQC-UHFFFAOYSA-N 1 0 375.694 2.659 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)COc2ccc(Br)cc2)CC[C@@H]1C(F)(F)F ZINC000638547769 565201981 /nfs/dbraw/zinc/20/19/81/565201981.db2.gz KJWJPGSHEZQWDS-MFKMUULPSA-N 1 0 395.219 2.814 20 0 GFADRO COCCN1CC[C@H]([NH2+][C@H]2CCN(C)[C@@H](c3ccc(Br)cc3)C2)C1 ZINC000638637020 565205364 /nfs/dbraw/zinc/20/53/64/565205364.db2.gz LCMLAPSPAMCSKM-GBESFXJTSA-N 1 0 396.373 2.895 20 0 GFADRO [NH3+]CC1(NC(=O)CCCCOc2ccc(Br)cc2)CCOCC1 ZINC000638634183 565206025 /nfs/dbraw/zinc/20/60/25/565206025.db2.gz DBKPFLXZUJPHEI-UHFFFAOYSA-N 1 0 385.302 2.622 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+]CC2(c3ccccc3Br)CC2)o1 ZINC000638683459 565207209 /nfs/dbraw/zinc/20/72/09/565207209.db2.gz IAHGPKTVIFCUKE-UHFFFAOYSA-N 1 0 385.283 2.511 20 0 GFADRO O=C(NCCc1ccc(Cl)cc1Cl)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000590844867 565207493 /nfs/dbraw/zinc/20/74/93/565207493.db2.gz DJRPEQLCWNSRAR-DLBZAZTESA-N 1 0 386.323 2.777 20 0 GFADRO COC(=O)[C@H](c1ccc(Cl)c(Cl)c1)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000616752322 565208320 /nfs/dbraw/zinc/20/83/20/565208320.db2.gz ZMRWVIQSFUXYGK-IKGGRYGDSA-N 1 0 387.307 2.739 20 0 GFADRO CCOc1cc(Br)c(NC(=O)[C@@H]([NH3+])COC(C)C)cc1OCC ZINC000659251380 565209294 /nfs/dbraw/zinc/20/92/94/565209294.db2.gz FLXOYAFDPGFCBR-LBPRGKRZSA-N 1 0 389.290 2.937 20 0 GFADRO O=C(c1c[nH]nc1[C@H]1CC[NH2+]C1)N1CCc2cc(F)cc(Br)c2C1 ZINC000638773013 565210433 /nfs/dbraw/zinc/21/04/33/565210433.db2.gz DOGLNIOABOOAPX-NSHDSACASA-N 1 0 393.260 2.587 20 0 GFADRO O=C([C@H]1C[NH2+]CCC1(F)F)N1CCc2cc(F)cc(Br)c2C1 ZINC000638772879 565210847 /nfs/dbraw/zinc/21/08/47/565210847.db2.gz AGIOQLYGXDEMKU-GFCCVEGCSA-N 1 0 377.204 2.718 20 0 GFADRO CN[C@@H](C(=O)N1CC[NH+](C2CCOCC2)CC1)c1cccc(Cl)c1Cl ZINC000659285717 565210936 /nfs/dbraw/zinc/21/09/36/565210936.db2.gz RPSWSFZLJSNNDW-QGZVFWFLSA-N 1 0 386.323 2.577 20 0 GFADRO Cc1ccc(C(=O)N2CCC(CO[C@H]3CC[NH2+]C3)CC2)c(Br)c1 ZINC000638783012 565211276 /nfs/dbraw/zinc/21/12/76/565211276.db2.gz FWAABULCASPHNX-HNNXBMFYSA-N 1 0 381.314 2.988 20 0 GFADRO CN1CC[C@@H]([NH2+]Cc2ccc(S(N)(=O)=O)cc2)[C@@H]1c1ccc(Cl)cc1 ZINC000638803014 565212090 /nfs/dbraw/zinc/21/20/90/565212090.db2.gz YTTSDXFYJBNERO-MSOLQXFVSA-N 1 0 379.913 2.522 20 0 GFADRO COc1cc(Br)ccc1C(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000638781652 565212112 /nfs/dbraw/zinc/21/21/12/565212112.db2.gz HLRRZPUUVLKVAS-OAHLLOKOSA-N 1 0 397.313 2.688 20 0 GFADRO O=C(Cc1ccc(F)c(Br)c1)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000638782618 565212118 /nfs/dbraw/zinc/21/21/18/565212118.db2.gz WXOSGDFVDBISCD-OAHLLOKOSA-N 1 0 399.304 2.748 20 0 GFADRO [NH3+][C@H](CC(F)F)C(=O)N1CC2(CCOCC2)c2ccc(Br)cc21 ZINC000638840485 565214132 /nfs/dbraw/zinc/21/41/32/565214132.db2.gz CQXMTDKCPDVGQD-GFCCVEGCSA-N 1 0 389.240 2.826 20 0 GFADRO COc1ccc2c(c1)OC[C@H]([NH2+]Cc1cnn3cc(Br)cnc13)C2 ZINC000638830738 565214266 /nfs/dbraw/zinc/21/42/66/565214266.db2.gz GMFUAAZWMPBQAR-CQSZACIVSA-N 1 0 389.253 2.594 20 0 GFADRO O=C([C@@H]1C[C@]12CCC[NH2+]C2)N1CCOC[C@@H]1c1cccc(Br)c1 ZINC000659371858 565215744 /nfs/dbraw/zinc/21/57/44/565215744.db2.gz YOKCRTZTFHKHJF-JZXOWHBKSA-N 1 0 379.298 2.739 20 0 GFADRO O=C([C@@H]1C[NH2+]CCC1(F)F)N1CCOC[C@@H]1c1cccc(Br)c1 ZINC000659369764 565215836 /nfs/dbraw/zinc/21/58/36/565215836.db2.gz PMTZQUBTRNFBPL-UONOGXRCSA-N 1 0 389.240 2.594 20 0 GFADRO C[C@H](NC(=O)N(C)CC(C)(C)[NH3+])c1nc(-c2ccc(Br)cc2)no1 ZINC000659469005 565217594 /nfs/dbraw/zinc/21/75/94/565217594.db2.gz FQFGXOLHDPQEOS-JTQLQIEISA-N 1 0 396.289 2.939 20 0 GFADRO Cc1cc(COc2ccc(C(=O)N3C[C@@H]([NH3+])C[C@H]3C)cc2Br)on1 ZINC000638940094 565217598 /nfs/dbraw/zinc/21/75/98/565217598.db2.gz UDAFLOXDOAIQPJ-YPMHNXCESA-N 1 0 394.269 2.886 20 0 GFADRO CC(C)[C@H]([NH3+])CCNC(=O)N[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000659486945 565218204 /nfs/dbraw/zinc/21/82/04/565218204.db2.gz UAPQKQHJVDTCQK-GOEBONIOSA-N 1 0 383.334 2.700 20 0 GFADRO CC(C)[NH2+]CCCNC(=O)N1CCOC[C@H]1c1ccc(Br)cc1 ZINC000659512059 565218697 /nfs/dbraw/zinc/21/86/97/565218697.db2.gz LOQKZPJEKWYXPW-INIZCTEOSA-N 1 0 384.318 2.920 20 0 GFADRO O=C(NCC12CC(C1)C[NH2+]2)NCC1(c2ccccc2Br)CCC1 ZINC000659495300 565218757 /nfs/dbraw/zinc/21/87/57/565218757.db2.gz NZDWVDPCQNXPAJ-UHFFFAOYSA-N 1 0 378.314 2.922 20 0 GFADRO CN(C[C@H]1CC[N@H+](C)C1)C(=O)c1cnc(Sc2nccn2C)c(Cl)c1 ZINC000591262491 565219663 /nfs/dbraw/zinc/21/96/63/565219663.db2.gz HUIJTDMGYFSECJ-LBPRGKRZSA-N 1 0 379.917 2.643 20 0 GFADRO O=C(N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)N1CCOc2cc(Br)ccc2C1 ZINC000659558147 565220390 /nfs/dbraw/zinc/22/03/90/565220390.db2.gz XXHVCRUBXGMMRN-IVMMDQJWSA-N 1 0 394.313 2.741 20 0 GFADRO COC(=O)c1cc(NC(=O)N[C@@H]2CC[NH2+]C2(C)C)c(Br)cc1F ZINC000591287211 565220858 /nfs/dbraw/zinc/22/08/58/565220858.db2.gz CSGPIRYIGGOQAM-GFCCVEGCSA-N 1 0 388.237 2.637 20 0 GFADRO O=C(c1ccc2cncc(Br)c2n1)N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000639024413 565220853 /nfs/dbraw/zinc/22/08/53/565220853.db2.gz VPUGKSHQHPPNQS-XHDPSFHLSA-N 1 0 375.270 2.606 20 0 GFADRO C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000639028243 565220923 /nfs/dbraw/zinc/22/09/23/565220923.db2.gz XQVKIOWJAFJFKS-HUBLWGQQSA-N 1 0 384.307 2.712 20 0 GFADRO O=C(c1cc(=O)c2cc(Br)ccc2[nH]1)N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000639026064 565221047 /nfs/dbraw/zinc/22/10/47/565221047.db2.gz XDMCYOOYCQPGKB-BZNIZROVSA-N 1 0 390.281 2.505 20 0 GFADRO CN(CC1(c2ccc(Br)cc2)CC1)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659615921 565221306 /nfs/dbraw/zinc/22/13/06/565221306.db2.gz CFZWXBKJKMFADA-UHFFFAOYSA-N 1 0 378.314 2.874 20 0 GFADRO COC(=O)c1cc(NC(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)c(Br)cc1F ZINC000591287307 565221795 /nfs/dbraw/zinc/22/17/95/565221795.db2.gz LGUOMWHQSBUQCW-RKDXNWHRSA-N 1 0 388.237 2.624 20 0 GFADRO O=C(Cc1ccc(Br)cc1)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000617114439 565221864 /nfs/dbraw/zinc/22/18/64/565221864.db2.gz VUDMXFJTEUSDKU-UHFFFAOYSA-N 1 0 395.341 2.999 20 0 GFADRO CN1CC[C@@H]([NH2+]CCCn2ccnn2)C[C@@H]1c1ccc(Br)cc1 ZINC000639039799 565222027 /nfs/dbraw/zinc/22/20/27/565222027.db2.gz WRJNSCQWQVGQHJ-IAGOWNOFSA-N 1 0 378.318 2.856 20 0 GFADRO [NH3+]C[C@H]1CCN(C(=O)CS(=O)(=O)c2ccc(Cl)cc2)c2ccccc21 ZINC000639068252 565223057 /nfs/dbraw/zinc/22/30/57/565223057.db2.gz DVAXJHZVTDVBGD-CYBMUJFWSA-N 1 0 378.881 2.593 20 0 GFADRO C[N@H+](CCNC(=O)c1cc(Br)c2c(c1)OCCO2)C1CCCC1 ZINC000591321690 565223477 /nfs/dbraw/zinc/22/34/77/565223477.db2.gz JEFDCTOHZAAMOQ-UHFFFAOYSA-N 1 0 383.286 2.825 20 0 GFADRO CO[C@H](C[N@H+](CCO)Cc1ccc(Br)s1)C1CCOCC1 ZINC000639101566 565224447 /nfs/dbraw/zinc/22/44/47/565224447.db2.gz BTZNRRVZNXYNMW-CQSZACIVSA-N 1 0 378.332 2.747 20 0 GFADRO CO[C@H](C[NH2+]C[C@@H](CO)Cc1ccccc1Br)C1CCOCC1 ZINC000639106367 565225856 /nfs/dbraw/zinc/22/58/56/565225856.db2.gz VFGBILMFSUGELD-KBXCAEBGSA-N 1 0 386.330 2.631 20 0 GFADRO CC(C)(O)C[NH+]1CCC(N[C@H]2COc3cc(F)c(Br)cc32)CC1 ZINC000639139100 565228787 /nfs/dbraw/zinc/22/87/87/565228787.db2.gz FSCWCNKRQQJUSR-HNNXBMFYSA-N 1 0 387.293 2.847 20 0 GFADRO CN1CC[C@H]([NH2+]CCN2CCC(O)CC2)C[C@@H]1c1ccc(Br)cc1 ZINC000639234983 565234816 /nfs/dbraw/zinc/23/48/16/565234816.db2.gz DPZGEDFOJREQIN-PKOBYXMFSA-N 1 0 396.373 2.631 20 0 GFADRO Cc1ccc(NC(=O)[C@H]2C[NH2+]CCC2(F)F)cc1I ZINC000591675088 565235047 /nfs/dbraw/zinc/23/50/47/565235047.db2.gz REFQCBVTCKAEML-SNVBAGLBSA-N 1 0 380.176 2.783 20 0 GFADRO Cc1csc(C(=O)N2CCC[C@@H](C)[C@H]2C[NH3+])c1I ZINC000591676387 565235897 /nfs/dbraw/zinc/23/58/97/565235897.db2.gz PDLLRJLMSUOROR-PSASIEDQSA-N 1 0 378.279 2.861 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+]C[C@@H]2CCN(c3ccccc3Cl)C2)s1 ZINC000639302654 565238844 /nfs/dbraw/zinc/23/88/44/565238844.db2.gz GFEGLSXTUNZKCT-LBPRGKRZSA-N 1 0 385.942 2.665 20 0 GFADRO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)CCc1cccc(Br)c1 ZINC000617503725 565242605 /nfs/dbraw/zinc/24/26/05/565242605.db2.gz WIYCBFCBRSZESL-HNNXBMFYSA-N 1 0 384.362 2.770 20 0 GFADRO CCN(C(=O)c1cn(Cc2ccc(Cl)cc2Cl)nn1)[C@H]1CC[N@H+](C)C1 ZINC000617561453 565246646 /nfs/dbraw/zinc/24/66/46/565246646.db2.gz LRZYDNQVMZGPAQ-AWEZNQCLSA-N 1 0 382.295 2.799 20 0 GFADRO CC(C)[NH2+][C@@H]1CCCN(CC(=O)c2c[nH]c3ncc(Br)cc23)C1 ZINC000660068650 565246790 /nfs/dbraw/zinc/24/67/90/565246790.db2.gz NUGCWTUYFDHFME-CYBMUJFWSA-N 1 0 379.302 2.971 20 0 GFADRO CCCN(C[C@@H](O)COc1cc(Cl)cc(Cl)c1)[C@H]1CCS(=O)(=O)C1 ZINC000639451756 565246947 /nfs/dbraw/zinc/24/69/47/565246947.db2.gz KUHGCHUKDCCYGH-LSDHHAIUSA-N 1 0 396.336 2.632 20 0 GFADRO CCS(=O)(=O)N(C)C1CCN(CCSc2ccc(F)cc2F)CC1 ZINC000660070090 565247178 /nfs/dbraw/zinc/24/71/78/565247178.db2.gz VHHNUZWYDZNNLD-UHFFFAOYSA-N 1 0 378.510 2.803 20 0 GFADRO COCC[N@@H+]1CCC[C@@H](NC(=O)c2cc3cc(Br)ccc3[nH]2)C1 ZINC000592099473 565256231 /nfs/dbraw/zinc/25/62/31/565256231.db2.gz OYVWZXIFOBBTLL-CQSZACIVSA-N 1 0 380.286 2.771 20 0 GFADRO O=c1cc([C@@H]2CC[N@@H+](Cc3nc4cc(Br)ccc4o3)C2)[nH]c(=O)[nH]1 ZINC000639713496 565256528 /nfs/dbraw/zinc/25/65/28/565256528.db2.gz KAEQYTSQZQHLMB-SECBINFHSA-N 1 0 391.225 2.781 20 0 GFADRO O[C@H](C[NH2+]C1(c2ccccc2Br)CCC1)CC1(O)CCOCC1 ZINC000639717590 565256852 /nfs/dbraw/zinc/25/68/52/565256852.db2.gz MZVZHSSSUPBDGI-AWEZNQCLSA-N 1 0 384.314 2.710 20 0 GFADRO CN(CCC[NH+](C)C)CCNC(=O)CCc1cc(Br)ccc1F ZINC000617765954 565257839 /nfs/dbraw/zinc/25/78/39/565257839.db2.gz XKRWTYMASORZEB-UHFFFAOYSA-N 1 0 388.325 2.521 20 0 GFADRO COc1cc(C[NH2+][C@H]([C@H]2CCCO2)C2(CO)CCC2)c(Br)cn1 ZINC000639768040 565258915 /nfs/dbraw/zinc/25/89/15/565258915.db2.gz RBYCCFOEHRPCII-GDBMZVCRSA-N 1 0 385.302 2.653 20 0 GFADRO C[C@@H]1[NH2+]CC[C@@H]1C(=O)NCCSCCOc1cccc(Br)c1 ZINC000592140773 565260496 /nfs/dbraw/zinc/26/04/96/565260496.db2.gz XKORFXQVJMTZFO-WFASDCNBSA-N 1 0 387.343 2.675 20 0 GFADRO CC1([NH3+])CCN(C(=O)c2ccc(I)cc2Cl)CC1 ZINC000592331455 565270142 /nfs/dbraw/zinc/27/01/42/565270142.db2.gz PEBOGIUCZYVOMH-UHFFFAOYSA-N 1 0 378.641 2.898 20 0 GFADRO CC[C@@H]1CN(C(=O)c2cc(F)ccc2I)CC[C@H]1[NH3+] ZINC000592333270 565270299 /nfs/dbraw/zinc/27/02/99/565270299.db2.gz WERWAVZYFVXVGV-NOZJJQNGSA-N 1 0 376.213 2.630 20 0 GFADRO CC[C@H]([NH3+])CNC(=O)c1cc(I)cc(C(F)(F)F)c1 ZINC000592339904 565270320 /nfs/dbraw/zinc/27/03/20/565270320.db2.gz RWPGQXZPQPYIMV-JTQLQIEISA-N 1 0 386.155 2.777 20 0 GFADRO CN(CC(=O)c1c[nH]c2ncc(Br)cc12)CC1([NH+](C)C)CCC1 ZINC000660374105 565271865 /nfs/dbraw/zinc/27/18/65/565271865.db2.gz UENBIXJSFDUPLA-UHFFFAOYSA-N 1 0 379.302 2.924 20 0 GFADRO CN(CC1C[NH+](C)C1)C(=O)CCc1nc(-c2cc(Br)cs2)no1 ZINC000618194626 565279412 /nfs/dbraw/zinc/27/94/12/565279412.db2.gz FDEAGBSLSCRFOY-UHFFFAOYSA-N 1 0 399.314 2.513 20 0 GFADRO COc1ccc(NC(=O)c2cnn3c2[C@@H](C[NH3+])CCC3)cc1Br ZINC000592520793 565280938 /nfs/dbraw/zinc/28/09/38/565280938.db2.gz SIFQBBNCDFZXLO-SNVBAGLBSA-N 1 0 379.258 2.743 20 0 GFADRO CN(CCc1ccc(Br)cc1)C(=O)c1cnn2c1[C@H](C[NH3+])CCC2 ZINC000592524545 565281057 /nfs/dbraw/zinc/28/10/57/565281057.db2.gz CRGWGRBLTSMABP-AWEZNQCLSA-N 1 0 391.313 2.796 20 0 GFADRO CO[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+][C@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000660534227 565281280 /nfs/dbraw/zinc/28/12/80/565281280.db2.gz DHUPCXOEJPWYRO-FXUDXRNXSA-N 1 0 377.428 2.743 20 0 GFADRO CCN1CC[C@@H]([NH2+]C2(Cc3ccc(F)cc3Br)CCOCC2)C1=O ZINC000660633282 565286500 /nfs/dbraw/zinc/28/65/00/565286500.db2.gz UYMOAFOUDZQJMK-MRXNPFEDSA-N 1 0 399.304 2.890 20 0 GFADRO NS(=O)(=O)c1cc(C[N@@H+]2CC[C@@H](Cc3ccc(Br)cc3)C2)co1 ZINC000660631823 565286966 /nfs/dbraw/zinc/28/69/66/565286966.db2.gz JTJVCOIPPDXFNM-ZDUSSCGKSA-N 1 0 399.310 2.754 20 0 GFADRO CC(C)C[NH2+]C1(CO)CCN(CCOc2cccc(Br)c2)CC1 ZINC000660692199 565289732 /nfs/dbraw/zinc/28/97/32/565289732.db2.gz JXANDMDXPSQQNE-UHFFFAOYSA-N 1 0 385.346 2.900 20 0 GFADRO COCC[N@H+](C)CCCNC(=O)c1ccn(-c2ccc(Cl)c(Cl)c2)n1 ZINC000592740930 565291970 /nfs/dbraw/zinc/29/19/70/565291970.db2.gz KJHKTDFEFFRXNB-UHFFFAOYSA-N 1 0 385.295 2.877 20 0 GFADRO CCC1([NH+](C)C)CCN(C(=O)Nc2nn(CC(F)(F)F)cc2Cl)CC1 ZINC000640299038 565295769 /nfs/dbraw/zinc/29/57/69/565295769.db2.gz JRAMNDWOJHWSIU-UHFFFAOYSA-N 1 0 381.830 3.437 20 0 GFADRO C[NH+](C)CCN(Cc1ccccc1)C(=O)CCn1cc(Br)cn1 ZINC000618372524 565298430 /nfs/dbraw/zinc/29/84/30/565298430.db2.gz JPCHMQPUMFVMAG-UHFFFAOYSA-N 1 0 379.302 2.626 20 0 GFADRO CN(Cc1ccc(Cl)s1)C(=O)C[NH2+][C@H](C1CC1)C1(CO)CCOCC1 ZINC000661084159 565305900 /nfs/dbraw/zinc/30/59/00/565305900.db2.gz WWBGNZYOTGURFX-QGZVFWFLSA-N 1 0 386.945 2.517 20 0 GFADRO O=C(CC[N@@H+](CCOCCO)C1CCC1)Nc1cccc(Br)c1 ZINC000661098493 565307277 /nfs/dbraw/zinc/30/72/77/565307277.db2.gz DQOFEHSKDGZWCY-UHFFFAOYSA-N 1 0 385.302 2.641 20 0 GFADRO Cc1ccc(NC(=O)[C@H](C)N2CC[C@H](Cn3ccnn3)C2)c(Br)c1 ZINC000661144178 565309942 /nfs/dbraw/zinc/30/99/42/565309942.db2.gz DPCXMTDUQTVCHH-KBPBESRZSA-N 1 0 392.301 2.698 20 0 GFADRO O=C(NCCCn1cc(Br)cn1)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000661190660 565312903 /nfs/dbraw/zinc/31/29/03/565312903.db2.gz HQSSREIRQJWVBJ-HNNXBMFYSA-N 1 0 398.349 2.742 20 0 GFADRO CO[C@@H]1CCC[C@@H]([C@H](CO)[NH2+]Cc2nc3ccc(Br)cc3n2C)C1 ZINC000661213339 565313505 /nfs/dbraw/zinc/31/35/05/565313505.db2.gz AHYNZPDPXOHLKA-XPKDYRNWSA-N 1 0 396.329 2.992 20 0 GFADRO C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+]1C[C@@H]2CC[C@H](O)C[C@@H]2C1 ZINC000661201945 565314071 /nfs/dbraw/zinc/31/40/71/565314071.db2.gz WDHSWWFCNGOTAI-SCNOPHJPSA-N 1 0 395.341 2.889 20 0 GFADRO COC[C@@H](C)OC[C@@H](O)C[NH+]1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000661376633 565321178 /nfs/dbraw/zinc/32/11/78/565321178.db2.gz FKZPEDNIUYAYPR-HIFRSBDPSA-N 1 0 377.312 2.528 20 0 GFADRO C[C@@H](CO)[C@@H]1CCCC[N@@H+]1CC(=O)N(C)Cc1ccccc1Br ZINC000661430973 565323658 /nfs/dbraw/zinc/32/36/58/565323658.db2.gz AMMVITXLVQTWEQ-YOEHRIQHSA-N 1 0 383.330 2.890 20 0 GFADRO COCC[C@H]([NH3+])Cc1cn([C@H](C)C(=O)Nc2cccc(Cl)c2Cl)nn1 ZINC000640780463 565326691 /nfs/dbraw/zinc/32/66/91/565326691.db2.gz IATLDAFONLDGPV-MNOVXSKESA-N 1 0 386.283 2.691 20 0 GFADRO C[C@@H]1CCCN1C(=O)CC[NH+]1CCN(c2ccc(Br)cc2)CC1 ZINC000661575713 565329394 /nfs/dbraw/zinc/32/93/94/565329394.db2.gz ASJABFOZMZIIJT-OAHLLOKOSA-N 1 0 380.330 2.972 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)Cn1cc(C[C@H]2CCC[NH2+]C2)nn1 ZINC000640836112 565329698 /nfs/dbraw/zinc/32/96/98/565329698.db2.gz UVQDDMXORNMAQV-CYBMUJFWSA-N 1 0 392.301 2.530 20 0 GFADRO COc1cc(Br)ccc1CCC[N@@H+]1CC[C@H]2NC(=O)CC[C@@H]2C1 ZINC000661599813 565330636 /nfs/dbraw/zinc/33/06/36/565330636.db2.gz FJHFDYZOLOFCHM-GDBMZVCRSA-N 1 0 381.314 2.991 20 0 GFADRO O[C@@H](COc1cc(F)cc(Br)c1)C[N@@H+]1CCC[C@@](O)(C2CC2)C1 ZINC000661628535 565331702 /nfs/dbraw/zinc/33/17/02/565331702.db2.gz VEQPHOMCELSVNE-WBVHZDCISA-N 1 0 388.277 2.565 20 0 GFADRO C[C@@H]1C[N@@H+](C[C@H](O)COc2ccc(Cl)cc2Br)C[C@H](C)[C@H]1O ZINC000661631023 565331821 /nfs/dbraw/zinc/33/18/21/565331821.db2.gz MQGITRWUUMFXSS-NGOBNIPXSA-N 1 0 392.721 2.791 20 0 GFADRO C[C@H](C(=O)Nc1cccc(Br)c1)n1cc(C[C@@H]2CCC[NH2+]C2)nn1 ZINC000640880440 565334036 /nfs/dbraw/zinc/33/40/36/565334036.db2.gz KFJZSUOVFJFDJQ-OLZOCXBDSA-N 1 0 392.301 2.782 20 0 GFADRO COC(=O)CC[N@@H+]1CCN(c2ccc(-c3ccc(Cl)s3)nn2)[C@H](C)C1 ZINC000593469779 565334563 /nfs/dbraw/zinc/33/45/63/565334563.db2.gz NEDOBVLZMNASBX-GFCCVEGCSA-N 1 0 380.901 2.932 20 0 GFADRO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)Cn1cc([C@@H]2CCC[NH2+]C2)nn1 ZINC000640886900 565334893 /nfs/dbraw/zinc/33/48/93/565334893.db2.gz ZPBQLCNIRPCSGI-CYBMUJFWSA-N 1 0 382.295 2.711 20 0 GFADRO Clc1cccc(Cl)c1-c1nnc(Cn2cc(C[C@H]3CC[NH2+]C3)nn2)o1 ZINC000641021798 565342673 /nfs/dbraw/zinc/34/26/73/565342673.db2.gz FWIBFDVIXXEULS-SNVBAGLBSA-N 1 0 379.251 2.835 20 0 GFADRO CCC[N@@H+]1CC[C@H](NC(=O)NCCC(=O)Nc2ccc(Br)cc2)C1 ZINC000661954356 565343672 /nfs/dbraw/zinc/34/36/72/565343672.db2.gz KKMSJBDSGPLIFP-HNNXBMFYSA-N 1 0 397.317 2.561 20 0 GFADRO C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+]1CC[C@@H]2COC[C@H]2C1 ZINC000662042197 565346104 /nfs/dbraw/zinc/34/61/04/565346104.db2.gz XPKPUTUKSMOERU-FVQBIDKESA-N 1 0 381.314 2.764 20 0 GFADRO CC(C)NC(=O)[C@H]1CCC[N@H+](C[C@@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000662117452 565351022 /nfs/dbraw/zinc/35/10/22/565351022.db2.gz GGJKXYYCHOSWDC-UONOGXRCSA-N 1 0 389.323 2.970 20 0 GFADRO O[C@H](COc1cccc(Br)c1)Cn1cc(C[NH2+]C2CCCC2)nn1 ZINC000641195434 565353409 /nfs/dbraw/zinc/35/34/09/565353409.db2.gz BAEZVPHBKJXTTQ-INIZCTEOSA-N 1 0 395.301 2.513 20 0 GFADRO C[N@@H+]1CCC[C@H](NC(=O)C2(c3ccc(I)cc3)CC2)C1 ZINC000619724145 565356723 /nfs/dbraw/zinc/35/67/23/565356723.db2.gz KDHGCPKIUNLVOF-AWEZNQCLSA-N 1 0 384.261 2.533 20 0 GFADRO CCOC(=O)COc1c(Br)cc(C)cc1C[N@H+](C)[C@@H](C)CCO ZINC000593694754 565356999 /nfs/dbraw/zinc/35/69/99/565356999.db2.gz RNAKIIIZHKUJFJ-ZDUSSCGKSA-N 1 0 388.302 2.902 20 0 GFADRO [NH3+]C[C@]12CCC[C@H]1CN(C(=O)Nc1cccc(I)c1)C2 ZINC000593758967 565359315 /nfs/dbraw/zinc/35/93/15/565359315.db2.gz QJLGFYIUQUUGHZ-NHYWBVRUSA-N 1 0 385.249 2.884 20 0 GFADRO O=C(NCc1cc(Br)c2c(c1)OCCO2)c1cccc2c1C[NH2+]C2 ZINC000662416167 565366349 /nfs/dbraw/zinc/36/63/49/565366349.db2.gz VCLJEMFSPZKOAO-UHFFFAOYSA-N 1 0 389.249 2.754 20 0 GFADRO C[C@H]1CCCN(C(=O)Cc2ccc(I)cc2)[C@@H]1CC[NH3+] ZINC000593917648 565367147 /nfs/dbraw/zinc/36/71/47/565367147.db2.gz XGXWCYMRAWOBRQ-SWLSCSKDSA-N 1 0 386.277 2.810 20 0 GFADRO COCC[N@@H+]1CC[C@@H](NC(=O)Cc2c(C)[nH]c3ccc(Br)cc32)C1 ZINC000593909353 565367341 /nfs/dbraw/zinc/36/73/41/565367341.db2.gz XGQLIRRDJCBKJO-CQSZACIVSA-N 1 0 394.313 2.618 20 0 GFADRO O=C(Nc1ccc(Br)cc1F)c1cn([C@@H]2CCC[NH2+]CC2)nn1 ZINC000662435394 565368002 /nfs/dbraw/zinc/36/80/02/565368002.db2.gz XWEQABWXIADIMI-LLVKDONJSA-N 1 0 382.237 2.747 20 0 GFADRO CN(Cc1ccc(Br)s1)C(=O)c1cn([C@@H]2CCC[NH2+]CC2)nn1 ZINC000662449881 565368834 /nfs/dbraw/zinc/36/88/34/565368834.db2.gz XTGPFSQCLMOTII-LLVKDONJSA-N 1 0 398.330 2.689 20 0 GFADRO CN(Cc1ccc(Br)s1)C(=O)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC000662449882 565368900 /nfs/dbraw/zinc/36/89/00/565368900.db2.gz XTGPFSQCLMOTII-NSHDSACASA-N 1 0 398.330 2.689 20 0 GFADRO O=C(c1cccc2c1C[NH2+]C2)N1CCC(n2cc(Br)cn2)CC1 ZINC000662453382 565368969 /nfs/dbraw/zinc/36/89/69/565368969.db2.gz SYCHDHNFUJDNKC-UHFFFAOYSA-N 1 0 375.270 2.726 20 0 GFADRO O=C(NCCSc1ccc(Cl)cc1)c1cn([C@@H]2CCC[NH2+]CC2)nn1 ZINC000662452900 565369243 /nfs/dbraw/zinc/36/92/43/565369243.db2.gz XYRCOGICWFFKNQ-CQSZACIVSA-N 1 0 379.917 2.768 20 0 GFADRO O=C(Nc1ccc(Br)c(F)c1)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC000662466196 565369636 /nfs/dbraw/zinc/36/96/36/565369636.db2.gz CSQMFRXTKZPCNO-NSHDSACASA-N 1 0 382.237 2.747 20 0 GFADRO N[C@H](C(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1)c1ccccc1Br ZINC000662523349 565374802 /nfs/dbraw/zinc/37/48/02/565374802.db2.gz PWQPZVXDMVBIES-KEYYUXOJSA-N 1 0 380.330 2.687 20 0 GFADRO N[C@H](C(=O)N1CCC([NH+]2CCCCC2)CC1)c1ccccc1Br ZINC000662524596 565375240 /nfs/dbraw/zinc/37/52/40/565375240.db2.gz MPKFCJFCNZKZGB-KRWDZBQOSA-N 1 0 380.330 2.926 20 0 GFADRO Cc1csc(C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)c1I ZINC000594102197 565375541 /nfs/dbraw/zinc/37/55/41/565375541.db2.gz HXDYZMMYAYXSIV-AOOOYVTPSA-N 1 0 378.279 2.731 20 0 GFADRO O=C(c1sc2c(c1Br)CNC2)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662585970 565378003 /nfs/dbraw/zinc/37/80/03/565378003.db2.gz CTQQSPVWODFFMO-GFCCVEGCSA-N 1 0 398.370 2.966 20 0 GFADRO Cc1[nH]c(=O)c(C(=O)N2CCC([C@@H]3CCC[NH2+]C3)CC2)cc1Br ZINC000662588182 565378559 /nfs/dbraw/zinc/37/85/59/565378559.db2.gz RKVDTQGUFLJSIC-CYBMUJFWSA-N 1 0 382.302 2.710 20 0 GFADRO N[C@@H](C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1)c1ccccc1Br ZINC000662667519 565380794 /nfs/dbraw/zinc/38/07/94/565380794.db2.gz BSYOBKOZWWJFJX-CXAGYDPISA-N 1 0 380.330 2.972 20 0 GFADRO [NH3+]CC12CC(C1)CN2C(=O)c1ccc(Br)c(OC(F)(F)F)c1 ZINC000662683416 565381761 /nfs/dbraw/zinc/38/17/61/565381761.db2.gz NXXQFHKWVOWFGP-UHFFFAOYSA-N 1 0 379.176 2.911 20 0 GFADRO CS[C@H]1CN(C(=O)c2ccc(OCC(F)(F)F)o2)C[C@H]1[NH+]1CCCC1 ZINC000594339849 565382120 /nfs/dbraw/zinc/38/21/20/565382120.db2.gz WJMOTJBVCPPJHT-YPMHNXCESA-N 1 0 378.416 2.873 20 0 GFADRO CCc1nc(C(=O)N2CC3CC2(C[NH3+])C3)nn1-c1c(Cl)cccc1Cl ZINC000662679708 565382387 /nfs/dbraw/zinc/38/23/87/565382387.db2.gz SXOLAGHQUIBFQX-UHFFFAOYSA-N 1 0 380.279 2.700 20 0 GFADRO CC(C)(C(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1)c1ccccc1Br ZINC000620478429 565384855 /nfs/dbraw/zinc/38/48/55/565384855.db2.gz XMUDNQUFGMHSFY-HNNXBMFYSA-N 1 0 395.341 2.784 20 0 GFADRO O=C(c1ccc(Cl)cc1Br)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000620482137 565386021 /nfs/dbraw/zinc/38/60/21/565386021.db2.gz JUFSPJYXJWPEHN-CYBMUJFWSA-N 1 0 387.705 2.774 20 0 GFADRO CC1(C)CC[NH2+][C@@H]1C(=O)NCc1nc(-c2cccc(Br)c2)no1 ZINC000662809753 565386040 /nfs/dbraw/zinc/38/60/40/565386040.db2.gz KKHIRNBLSXZIKW-CYBMUJFWSA-N 1 0 379.258 2.503 20 0 GFADRO Cc1c(C[NH3+])c(NC(=O)COc2ccc(Br)cc2Cl)nn1C ZINC000662839280 565387448 /nfs/dbraw/zinc/38/74/48/565387448.db2.gz YEQNYYZYANSDKB-UHFFFAOYSA-N 1 0 387.665 2.621 20 0 GFADRO C[C@@H]1[C@@H](c2ccc(Br)cc2)OCCN1C(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000662859931 565388747 /nfs/dbraw/zinc/38/87/47/565388747.db2.gz WJXWOJWNYORUNH-SKDZVZGDSA-N 1 0 397.313 2.506 20 0 GFADRO [NH3+]CC12CC(C1)CN2C(=O)C(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000662926174 565389359 /nfs/dbraw/zinc/38/93/59/565389359.db2.gz XZBSGXOSOKFSGF-AAEPOTHZSA-N 1 0 382.291 2.607 20 0 GFADRO CCC[N@H+](C)CC(C)(C)NC(=O)CCNC(=O)c1ccc(Br)cc1 ZINC000620625921 565389871 /nfs/dbraw/zinc/38/98/71/565389871.db2.gz DZPDUZGHLQITLO-UHFFFAOYSA-N 1 0 398.345 2.806 20 0 GFADRO Cc1cc([C@@H]2CCCN2C(=O)C(=O)N(C)CC(C)(C)[NH3+])ccc1Br ZINC000662941801 565391092 /nfs/dbraw/zinc/39/10/92/565391092.db2.gz CHKHNTFGLJUNBD-HNNXBMFYSA-N 1 0 396.329 2.617 20 0 GFADRO Cc1c(Br)cc(C(=O)N(C)CCCC[NH+]2CCCCC2)c(=O)n1C ZINC000641662550 565391840 /nfs/dbraw/zinc/39/18/40/565391840.db2.gz FPHCXWSWLSAGIL-UHFFFAOYSA-N 1 0 398.345 2.794 20 0 GFADRO Cc1[nH]c(=O)c(Br)cc1C(=O)NC[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000620781258 565396275 /nfs/dbraw/zinc/39/62/75/565396275.db2.gz LRCKHXSTHZYXTB-CQSZACIVSA-N 1 0 390.281 2.862 20 0 GFADRO COC[C@]1(CNC(=O)N2CC[C@H](Sc3cccc(Cl)c3)C2)CCC[NH2+]1 ZINC000641812466 565399955 /nfs/dbraw/zinc/39/99/55/565399955.db2.gz MHGWKJQZGAYBMN-FUHWJXTLSA-N 1 0 383.945 2.985 20 0 GFADRO C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)CCn1cc(Br)cn1 ZINC000620931004 565402094 /nfs/dbraw/zinc/40/20/94/565402094.db2.gz BUQXFLZRRDWLEZ-UHFFFAOYSA-N 1 0 397.292 2.765 20 0 GFADRO C[NH+](C)CCC[C@H]1CN(C(=O)c2c[nH]c3ncc(Br)cc23)CCO1 ZINC000620976645 565402998 /nfs/dbraw/zinc/40/29/98/565402998.db2.gz JPGAHTLWPVEVLO-ZDUSSCGKSA-N 1 0 395.301 2.508 20 0 GFADRO C[NH+](C)CCC[C@@H]1CN(C(=O)COc2ccc(Cl)c(Cl)c2)CCO1 ZINC000620967097 565403118 /nfs/dbraw/zinc/40/31/18/565403118.db2.gz FNAYQPMOYFTVOH-CQSZACIVSA-N 1 0 375.296 2.941 20 0 GFADRO CCC[N@H+](CC)C[C@H](C)NC(=O)N[C@@H](CO)c1ccc(Br)cc1 ZINC000641955048 565403079 /nfs/dbraw/zinc/40/30/79/565403079.db2.gz QMLQAJBQEAFKGC-BBRMVZONSA-N 1 0 386.334 2.902 20 0 GFADRO C[NH+](C)CCC[C@H]1CN(C(=O)c2cc(F)c(F)cc2Br)CCO1 ZINC000620971149 565403401 /nfs/dbraw/zinc/40/34/01/565403401.db2.gz DBGWBUHCKRCPEG-NSHDSACASA-N 1 0 391.256 2.910 20 0 GFADRO Cc1cc(N2C[C@@H](C(=O)NCC(C)(C)[NH+](C)C)CC2=O)ccc1Br ZINC000641999537 565403533 /nfs/dbraw/zinc/40/35/33/565403533.db2.gz PEUSSLZOUFHPTE-ZDUSSCGKSA-N 1 0 396.329 2.567 20 0 GFADRO CN(C)c1ncc(Br)cc1C(=O)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000621105445 565405694 /nfs/dbraw/zinc/40/56/94/565405694.db2.gz RSWJKJPJFXEURR-AWEZNQCLSA-N 1 0 395.345 2.762 20 0 GFADRO CCC[NH+]1CCN(C(=O)c2ccc(-n3cc(Br)cn3)cc2)CC1 ZINC000642198832 565407798 /nfs/dbraw/zinc/40/77/98/565407798.db2.gz FRAPIFWALOXUHR-UHFFFAOYSA-N 1 0 377.286 2.803 20 0 GFADRO CC[C@@H]1CN(C(=O)C(=O)NCCCc2ccc(Cl)cc2Cl)CC[C@@H]1[NH3+] ZINC000642351382 565411265 /nfs/dbraw/zinc/41/12/65/565411265.db2.gz MZMOSUXXXLYIQO-WBMJQRKESA-N 1 0 386.323 2.628 20 0 GFADRO CN([C@@H](C[NH3+])C(F)(F)F)S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000663311631 565411306 /nfs/dbraw/zinc/41/13/06/565411306.db2.gz OPQGDGAQZLJNIO-JTQLQIEISA-N 1 0 399.847 2.974 20 0 GFADRO CN([C@H](C[NH3+])C(F)(F)F)S(=O)(=O)c1ccc(Br)cc1Cl ZINC000663309179 565411578 /nfs/dbraw/zinc/41/15/78/565411578.db2.gz AKPKQBHSVGFGOI-SECBINFHSA-N 1 0 395.628 2.613 20 0 GFADRO CN([C@@H](C[NH3+])C(F)(F)F)S(=O)(=O)c1c(Cl)cccc1Br ZINC000663309699 565411785 /nfs/dbraw/zinc/41/17/85/565411785.db2.gz QJCYSFPECOXIMF-QMMMGPOBSA-N 1 0 395.628 2.613 20 0 GFADRO C[NH+](C)CCN1CCC(N=c2[nH]c3c(cccc3Br)s2)CC1 ZINC000621252540 565412144 /nfs/dbraw/zinc/41/21/44/565412144.db2.gz RDCSHKJYSPPPIO-UHFFFAOYSA-N 1 0 383.359 2.919 20 0 GFADRO COc1ccc([C@@H](CNc2cc(Br)cnn2)[NH+](C)C)cc1OC ZINC000663322676 565414102 /nfs/dbraw/zinc/41/41/02/565414102.db2.gz MDNRXIPWQNTLQP-CYBMUJFWSA-N 1 0 381.274 2.971 20 0 GFADRO CCCN1CC[C@H]([NH2+]C[C@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000663363952 565415491 /nfs/dbraw/zinc/41/54/91/565415491.db2.gz DJEGEPXYZWLXGN-KBPBESRZSA-N 1 0 391.737 2.916 20 0 GFADRO COc1cc(CN2CC[N@@H+](C3CCOCC3)C[C@H]2C)c(Br)cn1 ZINC000621287529 565416008 /nfs/dbraw/zinc/41/60/08/565416008.db2.gz RLLBATFZVVFARX-CYBMUJFWSA-N 1 0 384.318 2.538 20 0 GFADRO C[C@H](c1ccccc1)[C@@H](O)C[NH2+]C[C@@H](O)COc1cccc(Br)c1 ZINC000663380403 565416858 /nfs/dbraw/zinc/41/68/58/565416858.db2.gz XXURWIKPMVBZNG-BJZITVGISA-N 1 0 394.309 2.943 20 0 GFADRO COc1cc(CN2CCC([C@H]3NC(=O)C3(C)C)CC2)c(Br)cn1 ZINC000621298117 565416958 /nfs/dbraw/zinc/41/69/58/565416958.db2.gz JWAQEOMHAJTQJF-OAHLLOKOSA-N 1 0 382.302 2.589 20 0 GFADRO O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)C1=Cc2cc(Br)ccc2OC1 ZINC000642923423 565418570 /nfs/dbraw/zinc/41/85/70/565418570.db2.gz WWYCFTKHJNPVRB-JKSUJKDBSA-N 1 0 377.282 2.968 20 0 GFADRO O=C(N[C@@H]1CCC[NH2+]CC1)C(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000642980049 565420096 /nfs/dbraw/zinc/42/00/96/565420096.db2.gz WKMMMQBILQGTIU-CZUORRHYSA-N 1 0 384.307 2.915 20 0 GFADRO [NH3+][C@H]1CCO[C@@H](C2CCN(S(=O)(=O)Cc3cc(Cl)ccc3F)CC2)C1 ZINC000643096544 565421072 /nfs/dbraw/zinc/42/10/72/565421072.db2.gz FJYCEQNQXBPXLJ-DOTOQJQBSA-N 1 0 390.908 2.527 20 0 GFADRO C[NH+](C)CCOc1cccc(NC(=O)C(=O)NCc2ccc(Cl)s2)c1 ZINC000643059609 565421106 /nfs/dbraw/zinc/42/11/06/565421106.db2.gz BAEAVRLYOODOGQ-UHFFFAOYSA-N 1 0 381.885 2.597 20 0 GFADRO C[NH+]1CCN(C[C@H](Nc2cc(Br)cnn2)c2ccccc2)CC1 ZINC000663534868 565425346 /nfs/dbraw/zinc/42/53/46/565425346.db2.gz RGSBFHKBZYQCCR-INIZCTEOSA-N 1 0 376.302 2.640 20 0 GFADRO C[C@@]1(NC(=O)Nc2ccc(-c3ccc(Br)s3)nn2)CC[NH2+]C1 ZINC000663592492 565427915 /nfs/dbraw/zinc/42/79/15/565427915.db2.gz KLJPMDQAPONUAL-CQSZACIVSA-N 1 0 382.287 2.841 20 0 GFADRO C[C@@]1(NC(=O)C(=O)Nc2cc(Cl)ccc2SCC(F)(F)F)CC[NH2+]C1 ZINC000663612106 565429406 /nfs/dbraw/zinc/42/94/06/565429406.db2.gz FWGODYVKSUATGQ-CQSZACIVSA-N 1 0 395.834 2.801 20 0 GFADRO O=S(=O)(NCC[NH2+][C@@H]1CCc2cccnc2CC1)c1ccc(Cl)s1 ZINC000643347276 565429712 /nfs/dbraw/zinc/42/97/12/565429712.db2.gz USZOVGIPWWEPJT-CYBMUJFWSA-N 1 0 385.942 2.612 20 0 GFADRO C[C@@H]([NH2+]CCn1ccccc1=O)c1ccc(Br)cc1OCCCO ZINC000643404782 565431976 /nfs/dbraw/zinc/43/19/76/565431976.db2.gz FXNOXXWOOHYBGY-CQSZACIVSA-N 1 0 395.297 2.723 20 0 GFADRO OC[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1Nc1cc(Br)cnn1 ZINC000663727533 565432987 /nfs/dbraw/zinc/43/29/87/565432987.db2.gz RGKZTWDPJBHUBG-ZBFHGGJFSA-N 1 0 377.286 2.534 20 0 GFADRO O=C(c1cc2c(cc1Br)OCO2)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000621642302 565433712 /nfs/dbraw/zinc/43/37/12/565433712.db2.gz JUCQYOOOTWYXGE-RISCZKNCSA-N 1 0 381.270 2.782 20 0 GFADRO [NH3+][C@H]1CCc2nc(NC(=O)c3cc4c(cc3Br)OCO4)sc2C1 ZINC000621657076 565434656 /nfs/dbraw/zinc/43/46/56/565434656.db2.gz BKZQKKNUHGMPAG-ZETCQYMHSA-N 1 0 396.266 2.703 20 0 GFADRO O=C(c1cnn([C@@H]2CCC[NH2+]C2)c1)N1CCc2cc(Br)ccc2C1 ZINC000643595645 565435148 /nfs/dbraw/zinc/43/51/48/565435148.db2.gz WLNPHLHHADWAMN-QGZVFWFLSA-N 1 0 389.297 2.769 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)C2(c3cccc(Br)c3)CCCC2)CCCO1 ZINC000643605644 565435618 /nfs/dbraw/zinc/43/56/18/565435618.db2.gz RCQDDGBORXZSDY-MRXNPFEDSA-N 1 0 381.314 2.837 20 0 GFADRO OC[C@@H](C[NH2+]Cc1cc(Cl)ccc1I)[C@H]1CCOC1 ZINC000594939041 565435742 /nfs/dbraw/zinc/43/57/42/565435742.db2.gz ZOWJYKSILAVRBX-CMPLNLGQSA-N 1 0 395.668 2.679 20 0 GFADRO COCC[C@@H](COC)[NH2+][C@@H]1CCc2ccc(I)cc21 ZINC000595037075 565444257 /nfs/dbraw/zinc/44/42/57/565444257.db2.gz AZFLQPBBWJQBGX-DZGCQCFKSA-N 1 0 375.250 2.920 20 0 GFADRO COC(=O)[C@@H]1C[C@H]1[C@H](C)[NH2+]CCC(=O)Nc1cc(Br)ccc1C ZINC000594927090 565436238 /nfs/dbraw/zinc/43/62/38/565436238.db2.gz UKRPOXBEZJXUFL-FPMFFAJLSA-N 1 0 383.286 2.873 20 0 GFADRO O=C(CC[C@@H]1CCC[NH2+]C1)N1CCN(c2ccc(Br)cc2)CC1 ZINC000621667644 565436355 /nfs/dbraw/zinc/43/63/55/565436355.db2.gz ITHBEVXVLRISHU-HNNXBMFYSA-N 1 0 380.330 2.878 20 0 GFADRO [NH3+][C@@]12CCC[C@H]1CN(C(=O)c1cc(=O)[nH]c3ccc(Br)cc31)C2 ZINC000621689407 565436915 /nfs/dbraw/zinc/43/69/15/565436915.db2.gz HLYHKNFDTISWSW-DYZYQPBXSA-N 1 0 376.254 2.656 20 0 GFADRO CO[C@H](C[NH2+]Cc1c(F)ccc(I)c1F)[C@H]1CCOC1 ZINC000594948969 565437048 /nfs/dbraw/zinc/43/70/48/565437048.db2.gz CXBQHYBGMPSABF-TVQRCGJNSA-N 1 0 397.203 2.711 20 0 GFADRO COCC[C@H](Cc1cccc(Br)c1)C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000621687722 565437080 /nfs/dbraw/zinc/43/70/80/565437080.db2.gz JTLXTKLLENQYPQ-MDZRGWNJSA-N 1 0 395.341 2.984 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)c1cc(Br)c[nH]c1=O)c1ccc(F)cc1 ZINC000621677565 565437445 /nfs/dbraw/zinc/43/74/45/565437445.db2.gz UFHFFKPAKLFXMR-CQSZACIVSA-N 1 0 382.233 2.722 20 0 GFADRO CNC(=O)C[NH+]1CCC(N[C@H](c2ccc(Br)cc2)C(F)F)CC1 ZINC000621750002 565439467 /nfs/dbraw/zinc/43/94/67/565439467.db2.gz GTVACLDQUJJHAA-OAHLLOKOSA-N 1 0 390.272 2.555 20 0 GFADRO C[C@@H]1CC[N@H+](Cc2ccc(Br)cc2N2CCOCC2)C[C@H]1CO ZINC000621736555 565440059 /nfs/dbraw/zinc/44/00/59/565440059.db2.gz CXESSKVHYJMDAM-ZBFHGGJFSA-N 1 0 383.330 2.736 20 0 GFADRO CSC[C@H](CCO)[NH2+][C@@H]1CCc2ccc(I)cc21 ZINC000595026526 565443660 /nfs/dbraw/zinc/44/36/60/565443660.db2.gz PCYWKQLYPFFURQ-GXTWGEPZSA-N 1 0 377.291 2.982 20 0 GFADRO OCC[C@@]1(C[NH2+][C@H]2CCc3ccc(I)cc32)CCOC1 ZINC000595022744 565443907 /nfs/dbraw/zinc/44/39/07/565443907.db2.gz VFCLNIBQBBEVRR-HOTGVXAUSA-N 1 0 387.261 2.657 20 0 GFADRO COC(=O)CC(C)(C)C[C@H](C)[NH2+][C@@H](C(N)=O)c1cccc(Br)c1 ZINC000595044913 565445383 /nfs/dbraw/zinc/44/53/83/565445383.db2.gz ADKGQFOBMGFBAC-XHDPSFHLSA-N 1 0 385.302 2.933 20 0 GFADRO COc1cc(C(=O)NC[C@H]([NH3+])c2ccccc2OC)sc1Br ZINC000644092730 565458562 /nfs/dbraw/zinc/45/85/62/565458562.db2.gz SSSOEDKFDUKEEY-JTQLQIEISA-N 1 0 385.283 2.958 20 0 GFADRO CC1(C)C[NH2+][C@H]1C(=O)NCc1cc(Cl)ccc1I ZINC000595255637 565459161 /nfs/dbraw/zinc/45/91/61/565459161.db2.gz HDVGBKOOGAQLAM-NSHDSACASA-N 1 0 378.641 2.559 20 0 GFADRO O=C(NCc1cc(Cl)ccc1I)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000595937635 565499996 /nfs/dbraw/zinc/49/99/96/565499996.db2.gz ILHZLMJPPISYTQ-SMDDNHRTSA-N 1 0 390.652 2.560 20 0 GFADRO CC[NH2+][C@H](C)CNC(=O)NCc1cc(Cl)ccc1I ZINC000595264883 565460459 /nfs/dbraw/zinc/46/04/59/565460459.db2.gz GLPZOGGOYULDLQ-SECBINFHSA-N 1 0 395.672 2.742 20 0 GFADRO O=C(N[C@@H]1CC12CC[NH2+]CC2)[C@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1 ZINC000644146608 565461188 /nfs/dbraw/zinc/46/11/88/565461188.db2.gz YJWXPIQRDRSIHL-XHDPSFHLSA-N 1 0 382.291 2.605 20 0 GFADRO C[C@@H](NC(=O)Cn1cc2c(n1)[C@@H]([NH3+])CCC2)c1ccc(Br)cc1 ZINC000644167772 565461246 /nfs/dbraw/zinc/46/12/46/565461246.db2.gz NAVAHDLHCDYYDE-ABAIWWIYSA-N 1 0 377.286 2.859 20 0 GFADRO O=C(NC[C@@H]1CCC[N@H+](CC2CC2)C1)C(=O)Nc1ccc(Br)cc1 ZINC000664675170 565472502 /nfs/dbraw/zinc/47/25/02/565472502.db2.gz PJGKFPRZKUPFPS-AWEZNQCLSA-N 1 0 394.313 2.626 20 0 GFADRO CC[NH+]1CCN(CCC(=O)Nc2cccc(Cl)c2OCC(F)F)CC1 ZINC000644403710 565475976 /nfs/dbraw/zinc/47/59/76/565475976.db2.gz YCRUPSWEQOEHQJ-UHFFFAOYSA-N 1 0 375.847 2.950 20 0 GFADRO O[C@]1(C(F)(F)F)CC[C@@H]([NH2+]Cc2cn(-c3ccc(F)c(Cl)c3)nn2)C1 ZINC000644428530 565477223 /nfs/dbraw/zinc/47/72/23/565477223.db2.gz XBXBMLQABALSBP-YMTOWFKASA-N 1 0 378.757 2.995 20 0 GFADRO Brc1cnc2c(-c3noc([C@H]4CCC[N@@H+]4C4CC4)n3)cnn2c1 ZINC000664957394 565486950 /nfs/dbraw/zinc/48/69/50/565486950.db2.gz TZGKXKWRMIVTGX-GFCCVEGCSA-N 1 0 375.230 2.841 20 0 GFADRO NC(=O)Cc1ccc(C[NH2+]C[C@H](O)COc2cc(Cl)ccc2Cl)cc1 ZINC000644649211 565487876 /nfs/dbraw/zinc/48/78/76/565487876.db2.gz JAKLUWDGKUBQNX-HNNXBMFYSA-N 1 0 383.275 2.551 20 0 GFADRO CCCN1C[C@@H](C[NH2+]C[C@@H](O)COc2ccc(Cl)c(Cl)c2)CC1=O ZINC000644673258 565488752 /nfs/dbraw/zinc/48/87/52/565488752.db2.gz ACBVUDHURCUKSO-CHWSQXEVSA-N 1 0 375.296 2.581 20 0 GFADRO O=C(c1nc(C2CC2)ncc1Br)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000623060433 565492928 /nfs/dbraw/zinc/49/29/28/565492928.db2.gz LDIUWVDPGJUXMH-ZDUSSCGKSA-N 1 0 379.302 2.578 20 0 GFADRO O=C(NCC[NH2+]C1CCCCCC1)c1nc2ccc(Br)cn2n1 ZINC000623061105 565493029 /nfs/dbraw/zinc/49/30/29/565493029.db2.gz UGWBSMGFBJLCBX-UHFFFAOYSA-N 1 0 380.290 2.534 20 0 GFADRO O=C(CC[C@H]1CC[NH2+]C1)NCc1cc(Cl)ccc1I ZINC000595937560 565500355 /nfs/dbraw/zinc/50/03/55/565500355.db2.gz GOEOVUWZLLCEBY-JTQLQIEISA-N 1 0 392.668 2.951 20 0 GFADRO O=C(NCc1cc(Cl)ccc1I)C1CC[NH2+]CC1 ZINC000595939456 565501102 /nfs/dbraw/zinc/50/11/02/565501102.db2.gz XNKPNVRDVPCTTB-UHFFFAOYSA-N 1 0 378.641 2.560 20 0 GFADRO CN(CC(C)(C)[NH3+])C(=O)CCC[S@](=O)c1ccc(Br)cc1 ZINC000595947668 565501154 /nfs/dbraw/zinc/50/11/54/565501154.db2.gz UOAHLMFWIMPMSQ-NRFANRHFSA-N 1 0 375.332 2.533 20 0 GFADRO COC(=O)c1sc2c(c1Br)CN(C(=O)[C@@H]([NH3+])C(C)(C)C)C2 ZINC000595996972 565504664 /nfs/dbraw/zinc/50/46/64/565504664.db2.gz JDBFNQHFUYARKL-LLVKDONJSA-N 1 0 375.288 2.513 20 0 GFADRO CC[C@@H](C)[C@H]([NH3+])C(=O)N1Cc2sc(C(=O)OC)c(Br)c2C1 ZINC000596006693 565505813 /nfs/dbraw/zinc/50/58/13/565505813.db2.gz YSUAZAJBHIERHA-HQJQHLMTSA-N 1 0 375.288 2.513 20 0 GFADRO COC(=O)[C@H](NC1CC[NH+]([C@H]2CCOC2)CC1)c1cccc(Br)c1 ZINC000596046514 565509712 /nfs/dbraw/zinc/50/97/12/565509712.db2.gz KNBGFZSUWHRBRD-DLBZAZTESA-N 1 0 397.313 2.506 20 0 GFADRO O=C(NC1CC[NH+](C2CC2)CC1)c1cc(Br)cc2c1OCCO2 ZINC000665802526 565512584 /nfs/dbraw/zinc/51/25/84/565512584.db2.gz FXVDCKUCGGZUBE-UHFFFAOYSA-N 1 0 381.270 2.577 20 0 GFADRO Cc1cc(C[NH2+]C[C@H](Cc2ccc(F)cc2)C(N)=O)ncc1Br ZINC000623478353 565513720 /nfs/dbraw/zinc/51/37/20/565513720.db2.gz ITMCWZDJWHBJRU-ZDUSSCGKSA-N 1 0 380.261 2.725 20 0 GFADRO C[C@@]1(O)C[C@H]([NH2+]Cc2cc(Cl)cc(Cl)c2OCCN2CCOCC2)C1 ZINC000623551741 565518338 /nfs/dbraw/zinc/51/83/38/565518338.db2.gz FRYNHXOSORCLRH-RHNCMZPLSA-N 1 0 389.323 2.707 20 0 GFADRO OC[C@@]1([C@@H]([NH2+]Cc2cn3cc(Br)ccc3n2)C2CC2)CCCO1 ZINC000645264713 565518507 /nfs/dbraw/zinc/51/85/07/565518507.db2.gz FQJAOWCHHQMSEZ-DLBZAZTESA-N 1 0 380.286 2.507 20 0 GFADRO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(C(=O)c2cc(Cl)c(F)cc2Cl)CC1 ZINC000645252864 565519297 /nfs/dbraw/zinc/51/92/97/565519297.db2.gz MPQODTNGURUSLR-HNNXBMFYSA-N 1 0 388.270 2.687 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCN(c2ccc3nncn3n2)C1)c1ccc(Br)s1 ZINC000623651633 565522933 /nfs/dbraw/zinc/52/29/33/565522933.db2.gz QXZBINTWXGTOPI-WDEREUQCSA-N 1 0 393.314 2.878 20 0 GFADRO O=S(=O)(C[C@@H](O)C[NH2+][C@@H]1CCc2cccc(Cl)c2C1)c1cccs1 ZINC000666112188 565523395 /nfs/dbraw/zinc/52/33/95/565523395.db2.gz IWDZXVFNOFZFOJ-KGLIPLIRSA-N 1 0 385.938 2.683 20 0 GFADRO Cc1ccc(C[NH2+][C@H]2CCN(c3ccc4nncn4n3)C2)cc1Br ZINC000623652407 565523658 /nfs/dbraw/zinc/52/36/58/565523658.db2.gz FMZNAEMGBJOISG-AWEZNQCLSA-N 1 0 387.285 2.564 20 0 GFADRO CCOc1cc(C[NH2+][C@@H]2CCCC[C@H]2NS(C)(=O)=O)cc(Cl)c1OC ZINC000623670500 565524266 /nfs/dbraw/zinc/52/42/66/565524266.db2.gz UKZAQMVGIISNTQ-HUUCEWRRSA-N 1 0 390.933 2.697 20 0 GFADRO O=C1[C@@H]([NH2+][C@H]2CCc3sc(Br)cc32)CCN1C1CCOCC1 ZINC000645425064 565524775 /nfs/dbraw/zinc/52/47/75/565524775.db2.gz XPKWYHMNVALBCC-STQMWFEESA-N 1 0 385.327 2.867 20 0 GFADRO O=C1[C@@H]([NH2+][C@@H]2CCc3sc(Br)cc32)CCN1C1CCOCC1 ZINC000645425062 565525097 /nfs/dbraw/zinc/52/50/97/565525097.db2.gz XPKWYHMNVALBCC-OLZOCXBDSA-N 1 0 385.327 2.867 20 0 GFADRO CC1CC[NH+](CCCCNS(=O)(=O)c2ncccc2C(F)(F)F)CC1 ZINC000645471699 565528269 /nfs/dbraw/zinc/52/82/69/565528269.db2.gz IFJREGFLZZDCKQ-UHFFFAOYSA-N 1 0 379.448 2.891 20 0 GFADRO O=C(Nc1ccc(F)c(Br)c1)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000666225656 565528393 /nfs/dbraw/zinc/52/83/93/565528393.db2.gz HCCZFFVQQFKLDA-CYBMUJFWSA-N 1 0 386.265 2.651 20 0 GFADRO Fc1c(Br)cccc1C[NH2+]C[C@@H]1CN(Cc2ccncc2)CCO1 ZINC000623782550 565530194 /nfs/dbraw/zinc/53/01/94/565530194.db2.gz WDPACWJVTWOPOX-MRXNPFEDSA-N 1 0 394.288 2.974 20 0 GFADRO CC[NH+]1CCN(CCCNC(=O)c2ccc(Br)c(F)c2C)CC1 ZINC000666347718 565532208 /nfs/dbraw/zinc/53/22/08/565532208.db2.gz FKZBVLMITBIQNJ-UHFFFAOYSA-N 1 0 386.309 2.654 20 0 GFADRO CO[C@@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000623848058 565532721 /nfs/dbraw/zinc/53/27/21/565532721.db2.gz DILYHNLQOMGVGK-UHOFOFEASA-N 1 0 384.318 2.919 20 0 GFADRO O=S(=O)(CCOCC1CCC1)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000645503700 565532733 /nfs/dbraw/zinc/53/27/33/565532733.db2.gz JOSFTUOLOVEZQX-QGZVFWFLSA-N 1 0 386.583 2.696 20 0 GFADRO CC[NH+]1CCN(CCCNC(=O)c2cc(Br)cc(C)c2C)CC1 ZINC000666348257 565532857 /nfs/dbraw/zinc/53/28/57/565532857.db2.gz XMDPZEOTDAYPMS-UHFFFAOYSA-N 1 0 382.346 2.823 20 0 GFADRO C[C@@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+]C1CCN(S(C)(=O)=O)CC1 ZINC000623859296 565533203 /nfs/dbraw/zinc/53/32/03/565533203.db2.gz IZTXVVKZQOACAG-JTQLQIEISA-N 1 0 399.866 2.698 20 0 GFADRO Cc1cc(Cc2cnc(NC(=O)COCC[NH3+])s2)ccc1Br ZINC000645526898 565534466 /nfs/dbraw/zinc/53/44/66/565534466.db2.gz HEIGERTXFURAJU-UHFFFAOYSA-N 1 0 384.299 2.719 20 0 GFADRO C[C@@H]1CC[N@H+](CCNS(=O)(=O)Cc2ccc(Br)cc2Cl)C1 ZINC000645574506 565540500 /nfs/dbraw/zinc/54/05/00/565540500.db2.gz QSLPILNPBQCLIF-LLVKDONJSA-N 1 0 395.750 2.864 20 0 GFADRO C[C@H]([NH2+]CCCN1CCC[C@H]1C(N)=O)c1cc(F)c(Br)cc1F ZINC000624087217 565542503 /nfs/dbraw/zinc/54/25/03/565542503.db2.gz MYQVXLHENLJGEF-BONVTDFDSA-N 1 0 390.272 2.718 20 0 GFADRO C[C@H]([NH2+][C@H]1CCN(c2ccc3nncn3n2)C1)c1ccccc1Br ZINC000624113711 565544111 /nfs/dbraw/zinc/54/41/11/565544111.db2.gz LMUSPYFVHXXETH-STQMWFEESA-N 1 0 387.285 2.816 20 0 GFADRO O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cc(Br)cc2c1OCCO2 ZINC000666607763 565545801 /nfs/dbraw/zinc/54/58/01/565545801.db2.gz CGIWNONBVKFZOO-QWHCGFSZSA-N 1 0 381.270 2.577 20 0 GFADRO CN(C)C[C@H]([NH2+]C1CCN(S(C)(=O)=O)CC1)c1ccc(Cl)c(Cl)c1 ZINC000624191225 565547711 /nfs/dbraw/zinc/54/77/11/565547711.db2.gz AVKQKMQLOVVEEJ-INIZCTEOSA-N 1 0 394.368 2.610 20 0 GFADRO C[N@@H+]1CCC[C@H]1CNC(=O)NCc1c(F)c(F)c(Br)c(F)c1F ZINC000624246940 565548618 /nfs/dbraw/zinc/54/86/18/565548618.db2.gz IFYHDAKTAYUMCY-ZETCQYMHSA-N 1 0 398.198 2.899 20 0 GFADRO CCC(CC)[C@@H](CNC(=O)Nc1cn(C)cc(Br)c1=O)[NH+](C)C ZINC000666692161 565548666 /nfs/dbraw/zinc/54/86/66/565548666.db2.gz JYSWAPXUWINUQU-CQSZACIVSA-N 1 0 387.322 2.636 20 0 GFADRO Cc1cc(Br)c(F)cc1S(=O)(=O)N1CCC([C@@H](C)[NH3+])CC1 ZINC000624353992 565552225 /nfs/dbraw/zinc/55/22/25/565552225.db2.gz AASKYKXSSBXSHQ-SNVBAGLBSA-N 1 0 379.295 2.645 20 0 GFADRO CCOC(=O)COc1c(Br)cc(C)cc1CN[C@@H](C)C[NH+](C)C ZINC000597126696 565552911 /nfs/dbraw/zinc/55/29/11/565552911.db2.gz HFZDIKSTVMZPOX-ZDUSSCGKSA-N 1 0 387.318 2.739 20 0 GFADRO C[NH2+]CCC1CCN(S(=O)(=O)c2cc(F)c(Br)cc2C)CC1 ZINC000624363512 565553375 /nfs/dbraw/zinc/55/33/75/565553375.db2.gz FHJFNQMFMVSTHY-UHFFFAOYSA-N 1 0 393.322 2.907 20 0 GFADRO CC[NH+]1CCN([C@H]2CCN(C(=O)c3ccc(Br)c(F)c3C)C2)CC1 ZINC000597166305 565554562 /nfs/dbraw/zinc/55/45/62/565554562.db2.gz OBYXQOGQARMSDT-AWEZNQCLSA-N 1 0 398.320 2.749 20 0 GFADRO Cc1ccsc1-c1nsc(NC(=O)NCCN(C)CCC[NH+](C)C)n1 ZINC000666735370 565554595 /nfs/dbraw/zinc/55/45/95/565554595.db2.gz KXCZYQRTLJUYAG-UHFFFAOYSA-N 1 0 382.559 2.580 20 0 GFADRO COC(=O)[C@H]1C[C@H]([NH2+]Cc2cn(-c3cccc(Br)c3)nc2C)C1 ZINC000597244956 565557065 /nfs/dbraw/zinc/55/70/65/565557065.db2.gz KJBISZGNSVUDAO-NNUKFRKNSA-N 1 0 378.270 2.984 20 0 GFADRO Cc1cc(Br)cc(NC(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)c1 ZINC000666798770 565557103 /nfs/dbraw/zinc/55/71/03/565557103.db2.gz SHVBRWZCLQTVDU-MRXNPFEDSA-N 1 0 382.302 2.820 20 0 GFADRO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1cc(I)c(F)cc1F ZINC000597702240 565570662 /nfs/dbraw/zinc/57/06/62/565570662.db2.gz ZNFHYNCHTKIOCJ-OQPBUACISA-N 1 0 394.203 2.734 20 0 GFADRO CCC[N@@H+]1CC[C@H](NC(=O)NC[C@H](O)COc2cccc(Cl)c2Cl)C1 ZINC000666928807 565563689 /nfs/dbraw/zinc/56/36/89/565563689.db2.gz TWKXBSWRZXDGOI-STQMWFEESA-N 1 0 390.311 2.517 20 0 GFADRO CC[C@@H]1C[N@H+](C)CCCN1C(=O)c1cc(I)ccc1F ZINC000597603213 565567018 /nfs/dbraw/zinc/56/70/18/565567018.db2.gz ARALTZWBTVYTJO-GFCCVEGCSA-N 1 0 390.240 2.987 20 0 GFADRO COc1ncc(Br)cc1CNC(=O)N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C ZINC000624631559 565567105 /nfs/dbraw/zinc/56/71/05/565567105.db2.gz JOBYATGUKUHJFQ-WFASDCNBSA-N 1 0 397.317 2.621 20 0 GFADRO CC[C@H]1C[N@H+](C)CCCN1C(=O)c1cc(Br)cc(C(=O)OC)c1 ZINC000597605186 565567721 /nfs/dbraw/zinc/56/77/21/565567721.db2.gz NVXJYDYWHZFZAE-HNNXBMFYSA-N 1 0 383.286 2.792 20 0 GFADRO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)c1ccc(I)cc1F ZINC000597701234 565570701 /nfs/dbraw/zinc/57/07/01/565570701.db2.gz RIFNVJXTQOBVRM-NOZJJQNGSA-N 1 0 376.213 2.595 20 0 GFADRO C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1cc(F)c(F)cc1I ZINC000597698722 565570898 /nfs/dbraw/zinc/57/08/98/565570898.db2.gz HUPGKGUESSDYFD-SDBXPKJASA-N 1 0 394.203 2.734 20 0 GFADRO COc1ccc(Br)cc1C1([NH2+]CC[C@H]2CCS(=O)(=O)C2)CC1 ZINC000645974140 565579043 /nfs/dbraw/zinc/57/90/43/565579043.db2.gz SQFZJEVQFCENNR-LBPRGKRZSA-N 1 0 388.327 2.861 20 0 GFADRO CC[NH+](CC)[C@H](C)CNS(=O)(=O)c1c(OC)cccc1OC(F)(F)F ZINC000624852070 565579271 /nfs/dbraw/zinc/57/92/71/565579271.db2.gz ROFDCDKEFHAWIB-LLVKDONJSA-N 1 0 384.420 2.602 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)c2ccc(I)c(O)c2)C1 ZINC000597921971 565581388 /nfs/dbraw/zinc/58/13/88/565581388.db2.gz IPQXJKHAWANHQG-NSHDSACASA-N 1 0 388.249 2.599 20 0 GFADRO COc1cc(NC(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)cc(OC)c1Br ZINC000667324480 565581297 /nfs/dbraw/zinc/58/12/97/565581297.db2.gz OJZSZVMDXAPVGW-CMPLNLGQSA-N 1 0 384.274 2.682 20 0 GFADRO CCN(C(=O)c1cc(I)c(F)cc1F)[C@@H]1CC[N@H+](C)C1 ZINC000597945949 565583662 /nfs/dbraw/zinc/58/36/62/565583662.db2.gz KZPYRUOXUVZBDH-SECBINFHSA-N 1 0 394.203 2.736 20 0 GFADRO CC[NH+](CC)CC[C@@H](CO)NC(=O)C1(c2ccc(Br)cc2)CC1 ZINC000646055824 565585220 /nfs/dbraw/zinc/58/52/20/565585220.db2.gz ZPBFEUQHSQKBDB-INIZCTEOSA-N 1 0 383.330 2.690 20 0 GFADRO O=C(Cc1ccc(Br)cc1F)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000667423066 565585327 /nfs/dbraw/zinc/58/53/27/565585327.db2.gz GJUCHJNKJGLICE-INIZCTEOSA-N 1 0 399.304 2.844 20 0 GFADRO C[C@@H](C(=O)Nc1ccc(Br)cc1)N1CCOC2(CC[NH+](C)CC2)C1 ZINC000646104832 565586834 /nfs/dbraw/zinc/58/68/34/565586834.db2.gz PKGVODJQBNBHQT-AWEZNQCLSA-N 1 0 396.329 2.573 20 0 GFADRO Cc1nccc(NC(=O)N2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c1Br ZINC000667450557 565587686 /nfs/dbraw/zinc/58/76/86/565587686.db2.gz ACDZFVWSGSZJDQ-KBPBESRZSA-N 1 0 381.318 2.818 20 0 GFADRO O=C(Cc1csc(-c2ccc(Cl)s2)n1)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000646121650 565588358 /nfs/dbraw/zinc/58/83/58/565588358.db2.gz NIYMKZLWPVYFFU-CYBMUJFWSA-N 1 0 396.969 2.574 20 0 GFADRO [NH3+]C1(CC(=O)NC2CCN(Cc3ccc(Br)cc3)CC2)CCC1 ZINC000646241657 565591331 /nfs/dbraw/zinc/59/13/31/565591331.db2.gz BDAOCMQMYLOZLP-UHFFFAOYSA-N 1 0 380.330 2.801 20 0 GFADRO [NH3+]C[C@@H]1CCN(C(=O)Nc2ccc(-c3ccc(Br)s3)nn2)C1 ZINC000667529438 565593026 /nfs/dbraw/zinc/59/30/26/565593026.db2.gz ISLNFJCIJKHKNX-VIFPVBQESA-N 1 0 382.287 2.780 20 0 GFADRO O=C(Nc1cc(Cl)ccc1C(F)(F)F)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000667536887 565593415 /nfs/dbraw/zinc/59/34/15/565593415.db2.gz LUJZTDPZJQFFNO-ZANVPECISA-N 1 0 375.778 2.508 20 0 GFADRO CC[C@H](C)Sc1ccc(NC(=O)C(=O)NC[C@H](C)[NH3+])c(C(F)(F)F)c1 ZINC000667559890 565594209 /nfs/dbraw/zinc/59/42/09/565594209.db2.gz VZXGNEFGWSHCAV-UWVGGRQHSA-N 1 0 377.432 2.998 20 0 GFADRO CC[N@@H+]1CCC[C@@H](CNC(=O)c2cc(Br)cc3c2OCCO3)C1 ZINC000667563001 565594232 /nfs/dbraw/zinc/59/42/32/565594232.db2.gz RCCIKBLWQAYQRM-LBPRGKRZSA-N 1 0 383.286 2.682 20 0 GFADRO CC[C@H]1CN(C(=O)C(=O)Nc2cc(Cl)cc(Br)c2)CC[C@@H]1[NH3+] ZINC000667548463 565594608 /nfs/dbraw/zinc/59/46/08/565594608.db2.gz NSXJYJWZQPUQOK-ZANVPECISA-N 1 0 388.693 2.627 20 0 GFADRO C[N@@H+]1CCCC[C@H]1CN1CCN(Cc2c(F)cncc2Br)CC1 ZINC000667602691 565596320 /nfs/dbraw/zinc/59/63/20/565596320.db2.gz IGJIHXLVYRORRS-AWEZNQCLSA-N 1 0 385.325 2.585 20 0 GFADRO O=C(Nc1ccc(Br)cc1)C(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000667638262 565597969 /nfs/dbraw/zinc/59/79/69/565597969.db2.gz NLHJXCOQMHHOSC-ZIAGYGMSSA-N 1 0 394.313 2.626 20 0 GFADRO CC[C@@H](C(=O)N[C@@H](C(=O)OC)c1ccccc1Br)[NH+](CC)CC ZINC000598181592 565598158 /nfs/dbraw/zinc/59/81/58/565598158.db2.gz ALQUZQNBRXUQSG-LSDHHAIUSA-N 1 0 385.302 2.900 20 0 GFADRO C[C@@H](CC(=O)Nc1nc2c(s1)C[C@@H]([NH3+])CC2)n1cc(Br)cn1 ZINC000646359054 565599896 /nfs/dbraw/zinc/59/98/96/565599896.db2.gz MLERZPMURWISNN-WPRPVWTQSA-N 1 0 384.303 2.508 20 0 GFADRO C[C@H]1CN(CCO)CCN1C(=O)Nc1ccc(Br)c2ncccc12 ZINC000667864173 565608575 /nfs/dbraw/zinc/60/85/75/565608575.db2.gz RPZMJVUFDJLHJI-LBPRGKRZSA-N 1 0 393.285 2.528 20 0 GFADRO CC1CC[NH+](CCCNC(=O)c2cc(Br)cc3[nH]c(=O)[nH]c32)CC1 ZINC000646592324 565610338 /nfs/dbraw/zinc/61/03/38/565610338.db2.gz PIDDGTQBVZJGBE-UHFFFAOYSA-N 1 0 395.301 2.883 20 0 GFADRO O=C(Nc1cccc(Br)c1F)N1CC[NH+](C2CCOCC2)CC1 ZINC000667923468 565614253 /nfs/dbraw/zinc/61/42/53/565614253.db2.gz NBZOGWMDJNHGGB-UHFFFAOYSA-N 1 0 386.265 2.917 20 0 GFADRO C[NH2+]C[C@@H]1CCN(C(=O)[C@@H](c2ccc(Br)cc2)N2CCCC2)C1 ZINC000646709144 565615404 /nfs/dbraw/zinc/61/54/04/565615404.db2.gz SBIYVKXYVIXHFH-WMLDXEAASA-N 1 0 380.330 2.654 20 0 GFADRO COc1cc(C(=O)NCC2([NH+]3CCCC3)CCOCC2)ccc1Br ZINC000625287176 565616683 /nfs/dbraw/zinc/61/66/83/565616683.db2.gz UVKSZNSHNHYGKU-UHFFFAOYSA-N 1 0 397.313 2.833 20 0 GFADRO CCCN(C(=O)C(=O)Nc1ccc(Br)cc1C)[C@@H]1CC[N@H+](C)C1 ZINC000646768045 565617689 /nfs/dbraw/zinc/61/76/89/565617689.db2.gz HLMSDZYKKOHMAT-CQSZACIVSA-N 1 0 382.302 2.639 20 0 GFADRO C[C@H]([NH2+]C[C@H](O)CC1(O)CCC1)c1cc2c(cc1Br)OCCO2 ZINC000625291927 565617911 /nfs/dbraw/zinc/61/79/11/565617911.db2.gz ZCVCRMXMUINWIE-NWDGAFQWSA-N 1 0 386.286 2.537 20 0 GFADRO CCCN(C(=O)C(=O)Nc1ccc(Br)cc1CC)[C@H]1CC[N@H+](C)C1 ZINC000646765576 565618282 /nfs/dbraw/zinc/61/82/82/565618282.db2.gz FTYQAQSPLSSPDT-HNNXBMFYSA-N 1 0 396.329 2.893 20 0 GFADRO CCCN(C(=O)C(=O)Nc1cccc(Br)c1C)[C@@H]1CC[N@H+](C)C1 ZINC000646766909 565618295 /nfs/dbraw/zinc/61/82/95/565618295.db2.gz GMTPQWWFUJMFDU-CYBMUJFWSA-N 1 0 382.302 2.639 20 0 GFADRO CC[C@@H]1CN(C(=O)c2ccc(I)cc2F)C[C@H](C)[NH2+]1 ZINC000598531617 565623482 /nfs/dbraw/zinc/62/34/82/565623482.db2.gz MPVIBLYJVWRHLO-GXSJLCMTSA-N 1 0 376.213 2.643 20 0 GFADRO C[N@@H+]1CCCC[C@@H](CNS(=O)(=O)Cc2ccc(Br)cc2)C1 ZINC000625423277 565629208 /nfs/dbraw/zinc/62/92/08/565629208.db2.gz WNBNYDKFFVGRGQ-AWEZNQCLSA-N 1 0 375.332 2.600 20 0 GFADRO [NH3+]CCN(Cc1ccccc1)C(=O)[C@@H]1COc2ccc(Br)cc21 ZINC000646969172 565629940 /nfs/dbraw/zinc/62/99/40/565629940.db2.gz DZNMTLBLKKWQIE-MRXNPFEDSA-N 1 0 375.266 2.913 20 0 GFADRO O=C1Nc2ccc(Br)cc2CC[C@H]1N1CCC(F)(F)[C@H](CO)C1 ZINC000625442206 565631014 /nfs/dbraw/zinc/63/10/14/565631014.db2.gz QGFYAPWIKYOGAS-SMDDNHRTSA-N 1 0 389.240 2.652 20 0 GFADRO CC[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(c3cc(Cl)cc(Cl)c3)C2)CC[C@H]1[NH3+] ZINC000647010708 565632026 /nfs/dbraw/zinc/63/20/26/565632026.db2.gz VOQRCJOWIZQWHK-XHBSWPGZSA-N 1 0 384.307 2.932 20 0 GFADRO CC[C@@H]1CN(C(=O)C2CCN(C(=O)c3ccc(Cl)s3)CC2)CC[C@H]1[NH3+] ZINC000647009310 565632241 /nfs/dbraw/zinc/63/22/41/565632241.db2.gz AVTPTMGUHBJQEK-TZMCWYRMSA-N 1 0 383.945 2.840 20 0 GFADRO CC[C@@H]1CN(C(=O)[C@H]2CC(=O)N(c3cc(Cl)cc(Cl)c3)C2)CC[C@@H]1[NH3+] ZINC000647010707 565632269 /nfs/dbraw/zinc/63/22/69/565632269.db2.gz VOQRCJOWIZQWHK-WQGACYEGSA-N 1 0 384.307 2.932 20 0 GFADRO O=C(CC[NH+]1CCC(N2CCOCC2)CC1)Nc1ccccc1Br ZINC000625547335 565637565 /nfs/dbraw/zinc/63/75/65/565637565.db2.gz PARKTWWFGDMGNP-UHFFFAOYSA-N 1 0 396.329 2.574 20 0 GFADRO O[C@@H](COc1ccc(Cl)c(Cl)c1)C[NH+]1CCC(N2CCOCC2)CC1 ZINC000625555656 565638764 /nfs/dbraw/zinc/63/87/64/565638764.db2.gz WMECJTIHRJLDSH-OAHLLOKOSA-N 1 0 389.323 2.530 20 0 GFADRO Cc1cc(C)c(C(=O)NC[C@@H](C)N2CC[NH+](C)CC2)c(C)c1Br ZINC000625569930 565640000 /nfs/dbraw/zinc/64/00/00/565640000.db2.gz INVPXGKMJJNMFP-CQSZACIVSA-N 1 0 382.346 2.740 20 0 GFADRO CS(=O)(=O)Nc1cc(-c2nc([C@@H]3CCC[NH2+]3)no2)cc(C(F)(F)F)c1 ZINC000647146519 565641310 /nfs/dbraw/zinc/64/13/10/565641310.db2.gz XLZFVCCERKXWFW-NSHDSACASA-N 1 0 376.360 2.551 20 0 GFADRO C[NH2+][C@H](C)Cc1noc([C@H](c2cc(Cl)cc(Cl)c2)N2CCOCC2)n1 ZINC000647143291 565641323 /nfs/dbraw/zinc/64/13/23/565641323.db2.gz PNJNXQVDKKUIQX-BZNIZROVSA-N 1 0 385.295 2.948 20 0 GFADRO O=S(=O)(c1ccc(Cl)c(-c2nc([C@H]3CCC[NH2+]3)no2)c1)N1CCCC1 ZINC000647155036 565641382 /nfs/dbraw/zinc/64/13/82/565641382.db2.gz QBBWPTSLAHXDRS-CQSZACIVSA-N 1 0 382.873 2.599 20 0 GFADRO C[C@@H](c1nc([C@@H]2CCC[NH2+]2)no1)N1C(=O)c2ccc(Br)cc2C1=O ZINC000647148770 565642066 /nfs/dbraw/zinc/64/20/66/565642066.db2.gz XIKPBPLLXITVSY-UFBFGSQYSA-N 1 0 391.225 2.614 20 0 GFADRO C[C@@H](NC(=O)C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1)c1ccc(Br)cc1 ZINC000668365322 565642933 /nfs/dbraw/zinc/64/29/33/565642933.db2.gz HGUCAWHTRICPTM-DOMZBBRYSA-N 1 0 396.329 2.615 20 0 GFADRO COc1ncncc1C[NH2+]C[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000647175245 565644379 /nfs/dbraw/zinc/64/43/79/565644379.db2.gz FQKPEETVIDNYFQ-ZDUSSCGKSA-N 1 0 377.286 2.864 20 0 GFADRO O=S(=O)(Cc1cc(Cl)ccc1Br)NC[C@H]1CCCC[NH2+]1 ZINC000647202012 565645433 /nfs/dbraw/zinc/64/54/33/565645433.db2.gz JKEZQSPUUHYQBM-GFCCVEGCSA-N 1 0 381.723 2.664 20 0 GFADRO COc1ncncc1C[NH2+]CCc1cn2cc(Br)cc(C)c2n1 ZINC000647200963 565645470 /nfs/dbraw/zinc/64/54/70/565645470.db2.gz RDPAZOIKORFVBE-UHFFFAOYSA-N 1 0 376.258 2.536 20 0 GFADRO C[NH+](C)C[C@@H](NCc1ccc(S(N)(=O)=O)cc1F)c1ccc(Cl)cc1 ZINC000647209705 565645581 /nfs/dbraw/zinc/64/55/81/565645581.db2.gz XPDXPGVJSFTWLG-QGZVFWFLSA-N 1 0 385.892 2.519 20 0 GFADRO O=S(=O)(NC[C@H]1CCCC[NH2+]1)c1cc(Cl)c(Br)cc1F ZINC000647201282 565646137 /nfs/dbraw/zinc/64/61/37/565646137.db2.gz HPKZCSJBIIDTRQ-MRVPVSSYSA-N 1 0 385.686 2.662 20 0 GFADRO C[C@@H]([NH3+])C1CCN(S(=O)(=O)Cc2ccc(Br)cc2Cl)CC1 ZINC000647211067 565646314 /nfs/dbraw/zinc/64/63/14/565646314.db2.gz QRYZVQUUVQCBDU-SNVBAGLBSA-N 1 0 395.750 2.992 20 0 GFADRO CCOc1c(Br)cc(C[N@@H+]2CC[C@@H](Cn3ccnn3)C2)cc1OC ZINC000668451639 565647562 /nfs/dbraw/zinc/64/75/62/565647562.db2.gz LUNBETVJHVPTKS-CYBMUJFWSA-N 1 0 395.301 2.970 20 0 GFADRO Brc1cc(C[N@@H+]2CC[C@@H](Cn3ccnn3)C2)cc2c1OCCCO2 ZINC000668451000 565647607 /nfs/dbraw/zinc/64/76/07/565647607.db2.gz CZWWAIOYEWLANZ-CYBMUJFWSA-N 1 0 393.285 2.724 20 0 GFADRO CC(C)(C[NH2+]Cc1cnn(-c2ccc(Br)cc2)c1)[C@@]1(O)CCOC1 ZINC000647247077 565649141 /nfs/dbraw/zinc/64/91/41/565649141.db2.gz XTIXEHWHAWOJQY-GOSISDBHSA-N 1 0 394.313 2.902 20 0 GFADRO O=S(=O)(Cc1ccc(Cl)cc1Br)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000647264760 565650965 /nfs/dbraw/zinc/65/09/65/565650965.db2.gz QTAAMLNWVOHMGY-IINYFYTJSA-N 1 0 393.734 2.616 20 0 GFADRO O=S(=O)(c1ccc2ccccc2c1Br)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000647264866 565651087 /nfs/dbraw/zinc/65/10/87/565651087.db2.gz XBHNTZUVAKQXJB-HIFRSBDPSA-N 1 0 395.322 2.975 20 0 GFADRO CCOc1cc(CN2CC[NH+]([C@H]3CCOC3)CC2)cc(Br)c1OC ZINC000668538031 565652613 /nfs/dbraw/zinc/65/26/13/565652613.db2.gz TXRNBCSMUZFUHI-HNNXBMFYSA-N 1 0 399.329 2.763 20 0 GFADRO COC(=O)c1cc(C[NH2+][C@]2(CO)CCc3cc(Br)ccc3C2)c[nH]1 ZINC000598993814 565653123 /nfs/dbraw/zinc/65/31/23/565653123.db2.gz PWRRNTBADDXOLA-GOSISDBHSA-N 1 0 393.281 2.573 20 0 GFADRO C[C@H](CCc1ccc(I)cc1)[NH2+]C[C@@H]1COCCN1C ZINC000599081649 565655507 /nfs/dbraw/zinc/65/55/07/565655507.db2.gz TYOIJJYUPCQGGZ-CZUORRHYSA-N 1 0 388.293 2.533 20 0 GFADRO C[C@H]1NC(=O)N(CC[N@@H+]2CC[C@H](Sc3ccc(Br)cc3)C2)C1=O ZINC000625701145 565656050 /nfs/dbraw/zinc/65/60/50/565656050.db2.gz NMJISGPAJVETHO-RISCZKNCSA-N 1 0 398.326 2.556 20 0 GFADRO O=S(=O)(c1ccc(C(F)(F)F)nc1)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647307643 565656736 /nfs/dbraw/zinc/65/67/36/565656736.db2.gz DVZZKCCYEQVFQP-STQMWFEESA-N 1 0 377.432 2.501 20 0 GFADRO O=S(=O)(c1ncccc1C(F)(F)F)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647309285 565657239 /nfs/dbraw/zinc/65/72/39/565657239.db2.gz IDSBZYZRKTYNJJ-CHWSQXEVSA-N 1 0 377.432 2.501 20 0 GFADRO O=S(=O)(c1ccc(Br)s1)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000647323463 565658314 /nfs/dbraw/zinc/65/83/14/565658314.db2.gz OIYLGNSPJJZRMY-MNOVXSKESA-N 1 0 379.345 2.521 20 0 GFADRO C[C@@H]1CCCN(C(=O)C[NH2+][C@@]2(CO)CCc3cc(Br)ccc3C2)C1 ZINC000625794434 565659592 /nfs/dbraw/zinc/65/95/92/565659592.db2.gz JGQPQKCNEGSWOP-KUHUBIRLSA-N 1 0 395.341 2.517 20 0 GFADRO CC[NH+](CC)CCCCNC(=O)c1cc(Br)cc2[nH]c(=O)[nH]c21 ZINC000668680579 565660515 /nfs/dbraw/zinc/66/05/15/565660515.db2.gz XJVVICJVPOHJQK-UHFFFAOYSA-N 1 0 383.290 2.883 20 0 GFADRO OC[C@@]1([NH2+]C[C@H](O)CC(F)(F)F)CCc2cc(Br)ccc2C1 ZINC000625795889 565660590 /nfs/dbraw/zinc/66/05/90/565660590.db2.gz AQJDSUBDJXHOKF-ZIAGYGMSSA-N 1 0 382.220 2.572 20 0 GFADRO C[C@H]([NH3+])C[C@H](C)NC(=O)Nc1ccnn1Cc1cccc(Br)c1 ZINC000647475367 565660698 /nfs/dbraw/zinc/66/06/98/565660698.db2.gz JYANDYBWIDSJFS-RYUDHWBXSA-N 1 0 380.290 2.941 20 0 GFADRO CCOc1cc(C[NH2+]C2CCN([C@H]3CCOC3)CC2)cc(Br)c1O ZINC000668694098 565661892 /nfs/dbraw/zinc/66/18/92/565661892.db2.gz ZPFPQBRACTVCBN-HNNXBMFYSA-N 1 0 399.329 2.896 20 0 GFADRO CCCOc1c(Br)cc(CN2CCO[C@H]([C@@H](C)[NH3+])C2)cc1OC ZINC000647508681 565662474 /nfs/dbraw/zinc/66/24/74/565662474.db2.gz XPCKLHHYFAUHQK-WBMJQRKESA-N 1 0 387.318 2.795 20 0 GFADRO Cc1ccccc1C[C@@H](CO)[NH2+]C[C@@H](O)COc1cccc(Br)c1 ZINC000647525400 565662863 /nfs/dbraw/zinc/66/28/63/565662863.db2.gz YOIQFMZXQYPKRA-ZWKOTPCHSA-N 1 0 394.309 2.690 20 0 GFADRO C[NH+](C)C1(CNC(=O)c2cc3cc(Br)sc3[nH]2)CCOCC1 ZINC000668759609 565665064 /nfs/dbraw/zinc/66/50/64/565665064.db2.gz ZUDXZMDYWUYRBK-UHFFFAOYSA-N 1 0 386.315 2.833 20 0 GFADRO Cc1cc(NC(=O)CN[C@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)n(C)n1 ZINC000625983180 565667797 /nfs/dbraw/zinc/66/77/97/565667797.db2.gz IDTSENLZCJYJEP-OAHLLOKOSA-N 1 0 384.311 2.866 20 0 GFADRO O=C(Cc1cc(F)ccc1Br)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000647666465 565670911 /nfs/dbraw/zinc/67/09/11/565670911.db2.gz ORKFGRMYZHXHBS-MRXNPFEDSA-N 1 0 399.304 2.844 20 0 GFADRO Cn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CCc2sc(Cl)cc2C1 ZINC000668930678 565671685 /nfs/dbraw/zinc/67/16/85/565671685.db2.gz PWJFMXFQUUFSHW-OLZOCXBDSA-N 1 0 379.917 2.628 20 0 GFADRO OCC[C@H]([NH2+]C[C@H](O)COC[C@H]1CCCO1)c1cc(Cl)cc(Cl)c1 ZINC000626100554 565675428 /nfs/dbraw/zinc/67/54/28/565675428.db2.gz QTHZCYXUNXHTSZ-BBWFWOEESA-N 1 0 378.296 2.563 20 0 GFADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)Nc1ccccc1SCC(F)(F)F ZINC000599417929 565677965 /nfs/dbraw/zinc/67/79/65/565677965.db2.gz CHPFOXIUXOJVAE-LBPRGKRZSA-N 1 0 376.448 2.708 20 0 GFADRO COC1(C(=O)Nc2nnc(SCc3ccc(F)cc3)s2)CC[NH2+]CC1 ZINC000647893622 565681962 /nfs/dbraw/zinc/68/19/62/565681962.db2.gz QMMWYFSSWPLZBF-UHFFFAOYSA-N 1 0 382.486 2.677 20 0 GFADRO CCN(CC)S(=O)(=O)c1cc(NC(=O)CCC(C)(C)[NH3+])ccc1Cl ZINC000647897841 565682143 /nfs/dbraw/zinc/68/21/43/565682143.db2.gz CBJMYFFOPJPJSR-UHFFFAOYSA-N 1 0 375.922 2.827 20 0 GFADRO Cc1cccc(CC(=O)NCCCC[N@@H+]2CCC[C@H]2CO)c1Br ZINC000626201788 565682900 /nfs/dbraw/zinc/68/29/00/565682900.db2.gz XLFFMRGRKAQINC-INIZCTEOSA-N 1 0 383.330 2.653 20 0 GFADRO CC1(OCC(=O)Nc2ncc(Cc3ccc(Br)cc3)s2)C[NH2+]C1 ZINC000647915915 565683615 /nfs/dbraw/zinc/68/36/15/565683615.db2.gz DMXSACNECIMMOL-UHFFFAOYSA-N 1 0 396.310 2.813 20 0 GFADRO [NH3+]CCC(=O)NC[C@@H]1CCCCN1Cc1cc(Cl)ccc1OC(F)F ZINC000647942352 565685155 /nfs/dbraw/zinc/68/51/55/565685155.db2.gz BJMLDTXYODDDNP-AWEZNQCLSA-N 1 0 375.847 2.761 20 0 GFADRO CCOC(=O)[C@](C)(O)C[N@@H+]1CC[C@@H](Sc2ccc(Br)cc2)C1 ZINC000599526731 565686994 /nfs/dbraw/zinc/68/69/94/565686994.db2.gz QRGGSRAQPFKIEW-GDBMZVCRSA-N 1 0 388.327 2.930 20 0 GFADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCO[C@H]2c2cncc(Br)c2)C1 ZINC000669363734 565687065 /nfs/dbraw/zinc/68/70/65/565687065.db2.gz RUXQKYMWYSIUCC-XKQJLSEDSA-N 1 0 396.329 2.722 20 0 GFADRO Cc1nn(C)c(NC(=O)NC[C@@H](c2cccs2)[NH+](C)C)c1Br ZINC000647985043 565687424 /nfs/dbraw/zinc/68/74/24/565687424.db2.gz ZQDGOVHLWPJNON-JTQLQIEISA-N 1 0 386.319 2.977 20 0 GFADRO O=C(Nc1ccc(=O)n(Cc2ccc(Cl)c(Cl)c2)c1)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000648027914 565688692 /nfs/dbraw/zinc/68/86/92/565688692.db2.gz GXDUWHDAQASYHB-LYRGGWFBSA-N 1 0 378.259 2.892 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)N1CCC(C)([NH3+])CC1 ZINC000669431775 565689197 /nfs/dbraw/zinc/68/91/97/565689197.db2.gz YLXMVJLIRRUJHN-UHFFFAOYSA-N 1 0 397.317 2.609 20 0 GFADRO O=C(NCC1(c2cccc(Br)c2)CC1)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000669484658 565690396 /nfs/dbraw/zinc/69/03/96/565690396.db2.gz ILROVVFNMMQQCJ-BBRMVZONSA-N 1 0 378.314 2.874 20 0 GFADRO CC[C@H](CNC(=O)N1CCO[C@@H]([C@@H](C)[NH3+])C1)Cc1cccc(Br)c1 ZINC000669489583 565690484 /nfs/dbraw/zinc/69/04/84/565690484.db2.gz RYYPBOIZROEQGG-JKIFEVAISA-N 1 0 398.345 2.775 20 0 GFADRO O=C(NCCOc1c(Cl)cc(Br)cc1Cl)NCC1C[NH2+]C1 ZINC000669552930 565692021 /nfs/dbraw/zinc/69/20/21/565692021.db2.gz MWXXJQBNEZNHED-UHFFFAOYSA-N 1 0 397.100 2.653 20 0 GFADRO O=C(C(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1)c1ccc(Br)cc1 ZINC000648143256 565692036 /nfs/dbraw/zinc/69/20/36/565692036.db2.gz MKLUUEHWKPUPMT-CABCVRRESA-N 1 0 379.298 2.870 20 0 GFADRO O=C(NCCC[C@@H]1CCC[NH2+]1)c1cc(=O)c2cc(Br)ccc2[nH]1 ZINC000648147278 565692211 /nfs/dbraw/zinc/69/22/11/565692211.db2.gz BNCTWLGJPFVQED-LBPRGKRZSA-N 1 0 378.270 2.553 20 0 GFADRO C[C@H](CC(=O)N1CC[NH2+]C[C@@H]1c1ccccc1)n1cc(Br)cn1 ZINC000648177547 565692440 /nfs/dbraw/zinc/69/24/40/565692440.db2.gz GSXZJRAEXPAHJF-CZUORRHYSA-N 1 0 377.286 2.770 20 0 GFADRO O=C(N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000669553680 565692601 /nfs/dbraw/zinc/69/26/01/565692601.db2.gz OWCZEJJNEAPHLZ-PBFPGSCMSA-N 1 0 383.323 2.966 20 0 GFADRO C[C@@]1(C(=O)NCc2nc(-c3cccc(Br)c3)no2)CCC[NH2+]C1 ZINC000648174396 565692705 /nfs/dbraw/zinc/69/27/05/565692705.db2.gz OOGFOYAGVAJKGS-MRXNPFEDSA-N 1 0 379.258 2.505 20 0 GFADRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)Nc1ccc(OC)cc1I ZINC000599605872 565692782 /nfs/dbraw/zinc/69/27/82/565692782.db2.gz GDEIUAZDOCBGNH-WCQYABFASA-N 1 0 389.237 2.562 20 0 GFADRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)Nc1cc(Br)c(F)cc1C(=O)OC ZINC000599607422 565692918 /nfs/dbraw/zinc/69/29/18/565692918.db2.gz XBEDGPDAKSAHMX-NWDGAFQWSA-N 1 0 388.237 2.637 20 0 GFADRO O=C(NCc1cc2cc(Br)ccc2[nH]1)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000669562093 565693125 /nfs/dbraw/zinc/69/31/25/565693125.db2.gz ANLMLWQQSOYWFE-BDJLRTHQSA-N 1 0 377.286 2.824 20 0 GFADRO COc1ccc(Br)cc1C1(NC(=O)C[C@H]2CSCC[NH2+]2)CC1 ZINC000648191682 565693194 /nfs/dbraw/zinc/69/31/94/565693194.db2.gz WOMBVZWKGDFQEE-LBPRGKRZSA-N 1 0 385.327 2.658 20 0 GFADRO C[C@@H]1CC[C@H](NC(=O)Nc2cccc(F)c2I)C[NH2+]1 ZINC000599611592 565693287 /nfs/dbraw/zinc/69/32/87/565693287.db2.gz KUZSPBCJCLXZQI-BDAKNGLRSA-N 1 0 377.201 2.692 20 0 GFADRO CCc1ccccc1[C@H]([NH3+])CNC(=O)N[C@@H](C)c1ncc(Br)cn1 ZINC000669591173 565694216 /nfs/dbraw/zinc/69/42/16/565694216.db2.gz ZELXQZJBPNGJGO-XHDPSFHLSA-N 1 0 392.301 2.862 20 0 GFADRO O=C(N[C@H](c1cncc(Br)c1)C1CC1)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000669582796 565694464 /nfs/dbraw/zinc/69/44/64/565694464.db2.gz USKRDAHQDLNLLE-UVBJJODRSA-N 1 0 379.302 2.689 20 0 GFADRO C[C@@H]1C[N@@H+](CCCNC(=O)c2cc(Br)cc3[nH]cnc32)C[C@H](C)O1 ZINC000669694528 565699229 /nfs/dbraw/zinc/69/92/29/565699229.db2.gz SVKJVUINNKAGHW-TXEJJXNPSA-N 1 0 395.301 2.555 20 0 GFADRO C[C@H]1C[C@@H](N(C)C(=O)c2c3ccc(Br)cc3nn2C)CC[N@@H+]1C ZINC000648299715 565701723 /nfs/dbraw/zinc/70/17/23/565701723.db2.gz YLSVGYHAJFEPQZ-AAEUAGOBSA-N 1 0 379.302 2.891 20 0 GFADRO Cc1cc(Br)c(Cl)cc1NC(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000626611869 565702957 /nfs/dbraw/zinc/70/29/57/565702957.db2.gz KGPKEYJMKLYJRC-SNVBAGLBSA-N 1 0 376.682 2.599 20 0 GFADRO C[NH+](C)[C@@H]1[C@H]2CN(C(=O)c3ccc(Cl)c(I)c3)C[C@H]21 ZINC000599989384 565709316 /nfs/dbraw/zinc/70/93/16/565709316.db2.gz ZMZIVDILQIIPRG-IWIIMEHWSA-N 1 0 390.652 2.577 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)CC[C@H]1C(F)(F)F ZINC000626861102 565713511 /nfs/dbraw/zinc/71/35/11/565713511.db2.gz LXORINNKGZXNDR-QPUJVOFHSA-N 1 0 398.212 2.918 20 0 GFADRO CC(C)[C@H]1C[NH2+]CCN1C(=O)C(=O)Nc1cc(Cl)cc(C(F)(F)F)c1 ZINC000626846771 565713528 /nfs/dbraw/zinc/71/35/28/565713528.db2.gz ONSDVBCCNUMFIK-CYBMUJFWSA-N 1 0 377.794 2.754 20 0 GFADRO C[C@@H]1CC[C@H](NC(=O)C(=O)Nc2ccccc2SCC(F)(F)F)C[NH2+]1 ZINC000626887202 565713943 /nfs/dbraw/zinc/71/39/43/565713943.db2.gz RKRLVFANRXWWOL-MNOVXSKESA-N 1 0 375.416 2.536 20 0 GFADRO [NH3+]CCCOCCNC(=O)NCC1(c2cccc(Br)c2)CCC1 ZINC000626946178 565716168 /nfs/dbraw/zinc/71/61/68/565716168.db2.gz MQNBURBUDLGPKY-UHFFFAOYSA-N 1 0 384.318 2.535 20 0 GFADRO C[C@@H](CNC(=O)NCCOCCC[NH3+])Sc1ccc(Br)cc1 ZINC000626974498 565717139 /nfs/dbraw/zinc/71/71/39/565717139.db2.gz HULOVLPCATZETO-LBPRGKRZSA-N 1 0 390.347 2.594 20 0 GFADRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NCCOc1ncc(C(F)(F)F)cc1Cl ZINC000626984136 565717650 /nfs/dbraw/zinc/71/76/50/565717650.db2.gz AKZGVXYODRYOKE-NWDGAFQWSA-N 1 0 380.798 2.572 20 0 GFADRO O=C(c1[nH]nc(C2CC2)c1Br)N1CCC[N@H+](CC2CCC2)CC1 ZINC000670384694 565720426 /nfs/dbraw/zinc/72/04/26/565720426.db2.gz PSTZBTPMPDLPJH-UHFFFAOYSA-N 1 0 381.318 2.998 20 0 GFADRO C[NH2+]CCOCCN(C)C(=O)NCCc1ccc(Br)cc1Cl ZINC000627045883 565720640 /nfs/dbraw/zinc/72/06/40/565720640.db2.gz YFRJWJSMFFCIHP-UHFFFAOYSA-N 1 0 392.725 2.522 20 0 GFADRO O=C(Cc1ccccc1Br)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000670393453 565721391 /nfs/dbraw/zinc/72/13/91/565721391.db2.gz WWTROJLXTOCDSV-INIZCTEOSA-N 1 0 381.314 2.705 20 0 GFADRO O=C(Cc1cccc(Br)c1)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000670392107 565722108 /nfs/dbraw/zinc/72/21/08/565722108.db2.gz STIOVAIHNJUCQP-KRWDZBQOSA-N 1 0 381.314 2.705 20 0 GFADRO CC[C@H](Cc1ccc(Br)cc1)NC(=O)NCC1([NH3+])CCOCC1 ZINC000627118386 565722774 /nfs/dbraw/zinc/72/27/74/565722774.db2.gz ZHNWBPBEMNDRMA-OAHLLOKOSA-N 1 0 384.318 2.577 20 0 GFADRO C[C@@H]1C[C@@H](c2ccc(Br)cc2)CN1C(=O)NCC1([NH3+])CCOCC1 ZINC000627146636 565723409 /nfs/dbraw/zinc/72/34/09/565723409.db2.gz BHQFSFIGHDWZCC-UKRRQHHQSA-N 1 0 396.329 2.844 20 0 GFADRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@@H](CO)c1ccc(Cl)cc1C(F)(F)F ZINC000627160699 565723522 /nfs/dbraw/zinc/72/35/22/565723522.db2.gz JYEXZYJIZRUQOI-MJBXVCDLSA-N 1 0 379.810 2.832 20 0 GFADRO CC(C)N(Cc1cccc(Br)c1)C(=O)NCC1([NH3+])CCOCC1 ZINC000627154403 565723579 /nfs/dbraw/zinc/72/35/79/565723579.db2.gz WONTWXACEURLMT-UHFFFAOYSA-N 1 0 384.318 2.877 20 0 GFADRO [NH3+]C1(CNC(=O)N2CC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)CCOCC1 ZINC000627151261 565723760 /nfs/dbraw/zinc/72/37/60/565723760.db2.gz CYXPJMZCOXCDAI-CYBMUJFWSA-N 1 0 388.295 2.664 20 0 GFADRO Cn1nc2cc(Br)ccc2c1C(=O)NCC1([NH+](C)C)CCCC1 ZINC000648737476 565724532 /nfs/dbraw/zinc/72/45/32/565724532.db2.gz QZUUMEOOMAVWNB-UHFFFAOYSA-N 1 0 379.302 2.940 20 0 GFADRO C[C@H](CNC(=O)c1c2ccc(Br)cc2nn1C)C[NH+]1CCCC1 ZINC000648740734 565726092 /nfs/dbraw/zinc/72/60/92/565726092.db2.gz OZMMOSKKYNPPHW-GFCCVEGCSA-N 1 0 379.302 2.798 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000648761596 565726842 /nfs/dbraw/zinc/72/68/42/565726842.db2.gz KSVOBODPTMGJDK-TZMCWYRMSA-N 1 0 382.302 2.543 20 0 GFADRO C[C@H](NC(=O)c1cc2c(cncc2Br)s1)[C@H](C)N1CCOCC1 ZINC000648771051 565727145 /nfs/dbraw/zinc/72/71/45/565727145.db2.gz AUODUBZLJWSJQR-QWRGUYRKSA-N 1 0 398.326 2.898 20 0 GFADRO CC[C@@H](Cc1ccccc1Br)N(C)C(=O)NCCOCCC[NH3+] ZINC000627217022 565727323 /nfs/dbraw/zinc/72/73/23/565727323.db2.gz ZWSHGQIMCPLYKW-HNNXBMFYSA-N 1 0 386.334 2.777 20 0 GFADRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCC[C@@H]1C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000627237204 565727490 /nfs/dbraw/zinc/72/74/90/565727490.db2.gz HQUOJPFLZAELHD-COLVAYQJSA-N 1 0 385.295 2.856 20 0 GFADRO O=C(CCCOc1ccc(Cl)cc1Cl)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000627251347 565728609 /nfs/dbraw/zinc/72/86/09/565728609.db2.gz HAKREERQSRAZLB-LSDHHAIUSA-N 1 0 387.307 2.820 20 0 GFADRO O=C(CCc1nc2cc(Cl)ccc2s1)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000627257268 565728717 /nfs/dbraw/zinc/72/87/17/565728717.db2.gz DYPNVTGBLBYPLC-UONOGXRCSA-N 1 0 379.913 2.550 20 0 GFADRO Cc1cc(C(C)(C)C(=O)N2CC[C@H]([N@@H+]3CC[C@H](O)C3)C2)ccc1Br ZINC000627267775 565730836 /nfs/dbraw/zinc/73/08/36/565730836.db2.gz SDEUYRZRNYHYNY-HOTGVXAUSA-N 1 0 395.341 2.703 20 0 GFADRO O=C(CNC(=O)Cc1cc(Cl)cc(Cl)c1)NCC[NH+]1CCCCCC1 ZINC000627513724 565738400 /nfs/dbraw/zinc/73/84/00/565738400.db2.gz RCHKTNANPOJCIQ-UHFFFAOYSA-N 1 0 386.323 2.644 20 0 GFADRO Cc1cn2c(n1)C[C@@H](C(=O)N[C@H](CO)c1ccc(Br)c(F)c1)CC2 ZINC000627505532 565738598 /nfs/dbraw/zinc/73/85/98/565738598.db2.gz SHAIDWGYKHZMJD-SWLSCSKDSA-N 1 0 396.260 2.505 20 0 GFADRO Cc1cc(Br)c(F)c(C(=O)N2CCOC[C@@H]2[C@H]2CCC[N@H+]2C)c1 ZINC000627518783 565739514 /nfs/dbraw/zinc/73/95/14/565739514.db2.gz UKXIBHMUOGGJIF-HUUCEWRRSA-N 1 0 385.277 2.832 20 0 GFADRO C[NH+](C)[C@@H]1[C@H]2CN(C(=O)c3ccc(Br)c(OC(F)(F)F)c3)C[C@H]21 ZINC000627655318 565745058 /nfs/dbraw/zinc/74/50/58/565745058.db2.gz LSPLBMDWDWJUQT-IWIIMEHWSA-N 1 0 393.203 2.980 20 0 GFADRO C[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1C[C@H]1c1cccc(Br)c1)CCO2 ZINC000649128869 565749008 /nfs/dbraw/zinc/74/90/08/565749008.db2.gz CAJDDXFEECYWFY-DLBZAZTESA-N 1 0 393.325 2.876 20 0 GFADRO C[NH+]1CCC2(CC1)CN(C(=O)C1(c3ccccc3Br)CC1)CCO2 ZINC000649130521 565749712 /nfs/dbraw/zinc/74/97/12/565749712.db2.gz JWAUGLVQGVTKRD-UHFFFAOYSA-N 1 0 393.325 2.804 20 0 GFADRO C[NH2+]C1(CNC(=O)CCC[S@@](=O)c2ccc(Br)cc2)CCC1 ZINC000600825268 565751788 /nfs/dbraw/zinc/75/17/88/565751788.db2.gz QVDMLIGWJUZBNQ-JOCHJYFZSA-N 1 0 387.343 2.595 20 0 GFADRO COC(=O)C[C@@H](NC(=O)C[N@H+](C)C1CCC1)c1ccc(Br)cc1 ZINC000600815670 565751849 /nfs/dbraw/zinc/75/18/49/565751849.db2.gz WDSOFZYEEMGYEQ-OAHLLOKOSA-N 1 0 383.286 2.654 20 0 GFADRO C[C@H](NC(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cccc(Cl)c1Cl ZINC000671107469 565752123 /nfs/dbraw/zinc/75/21/23/565752123.db2.gz GULNMAIJJZAISL-RWMBFGLXSA-N 1 0 384.307 2.914 20 0 GFADRO COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)NC[C@H]1CCCC[N@H+](C)C1 ZINC000627827174 565754567 /nfs/dbraw/zinc/75/45/67/565754567.db2.gz RTLXJVAZIONNFB-LLVKDONJSA-N 1 0 388.295 2.789 20 0 GFADRO C[N@@H+]1CCCC[C@@H]1C(=O)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000600953074 565760150 /nfs/dbraw/zinc/76/01/50/565760150.db2.gz SLQSCEZSWRSARN-MRXNPFEDSA-N 1 0 384.307 2.762 20 0 GFADRO Cn1cc([C@@H]2CN(Cc3cc(Br)cc4cccnc43)C[C@H]2[NH3+])cn1 ZINC000649421090 565760208 /nfs/dbraw/zinc/76/02/08/565760208.db2.gz BQFFEWHDXGDUDX-DLBZAZTESA-N 1 0 386.297 2.658 20 0 GFADRO C[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000600963927 565761265 /nfs/dbraw/zinc/76/12/65/565761265.db2.gz MPYDYRHNXBZDNT-PBHICJAKSA-N 1 0 380.330 2.876 20 0 GFADRO C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000600963929 565761378 /nfs/dbraw/zinc/76/13/78/565761378.db2.gz MPYDYRHNXBZDNT-WMLDXEAASA-N 1 0 380.330 2.876 20 0 GFADRO CC(C)(O)C[N@H+](Cc1ccccc1)Cc1cc(Cl)cc(S(N)(=O)=O)c1 ZINC000649577666 565766737 /nfs/dbraw/zinc/76/67/37/565766737.db2.gz RIQDFHOTVIGDEE-UHFFFAOYSA-N 1 0 382.913 2.761 20 0 GFADRO C[NH+](C)CCN1CCN(Cc2csc(-c3ccc(Cl)cc3)n2)CC1=O ZINC000649688205 565773177 /nfs/dbraw/zinc/77/31/77/565773177.db2.gz VQMKLTLEXNTCFA-UHFFFAOYSA-N 1 0 378.929 2.669 20 0 GFADRO COC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+][C@@H](c1ccc(Br)s1)C1CC1 ZINC000601294263 565774143 /nfs/dbraw/zinc/77/41/43/565774143.db2.gz OQFTUYDZUGDGBO-MWODSPESSA-N 1 0 389.315 2.618 20 0 GFADRO C[C@@]1(C[NH2+]Cc2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)CCCS1 ZINC000628209537 565780058 /nfs/dbraw/zinc/78/00/58/565780058.db2.gz JJNMXWCWIMGHST-WMZOPIPTSA-N 1 0 384.567 2.519 20 0 GFADRO O=S(=O)(NCC[NH2+]CCc1cccc(C(F)(F)F)c1)c1cccs1 ZINC000628230915 565780730 /nfs/dbraw/zinc/78/07/30/565780730.db2.gz XVSYZXBHOHULSZ-UHFFFAOYSA-N 1 0 378.441 2.878 20 0 GFADRO O[C@H](COc1ccc(Cl)c(Cl)c1)CN1CCO[C@]2(CCCOC2)C1 ZINC000671696365 565781532 /nfs/dbraw/zinc/78/15/32/565781532.db2.gz PADBQGLFQMMEEV-SUMWQHHRSA-N 1 0 376.280 2.615 20 0 GFADRO CS(=O)(=O)N[C@H]1CCCC[C@@H]1C[NH2+]CCc1cccc(C(F)(F)F)c1 ZINC000628273118 565782044 /nfs/dbraw/zinc/78/20/44/565782044.db2.gz JDVZWEMYWKQJFQ-ZBFHGGJFSA-N 1 0 378.460 2.946 20 0 GFADRO CC(C)(C[NH2+]Cc1cnn(-c2ccc(C(F)(F)F)cc2)c1)S(C)(=O)=O ZINC000671716471 565782337 /nfs/dbraw/zinc/78/23/37/565782337.db2.gz SKPXVEGBDDNBLS-UHFFFAOYSA-N 1 0 375.416 2.804 20 0 GFADRO COCC[N@@H+]1CCN(CCC(=O)Nc2ccc(Br)cc2)C(C)(C)C1 ZINC000649849115 565782542 /nfs/dbraw/zinc/78/25/42/565782542.db2.gz OKHKNZQLXQSRAQ-UHFFFAOYSA-N 1 0 398.345 2.820 20 0 GFADRO CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cc(C(=O)OC)cc(Cl)c1C ZINC000601429572 565784286 /nfs/dbraw/zinc/78/42/86/565784286.db2.gz WDTLZIKLVJGRNE-UHFFFAOYSA-N 1 0 388.917 2.540 20 0 GFADRO CCC1([NH+](C)C)CCN(S(=O)(=O)c2cccc(Cl)c2C(=O)OC)CC1 ZINC000601503883 565787944 /nfs/dbraw/zinc/78/79/44/565787944.db2.gz RZVAPWVEZAYRAV-UHFFFAOYSA-N 1 0 388.917 2.622 20 0 GFADRO COCCOCC[N@H+](CCO)CC1=Cc2cc(Cl)cc(Cl)c2OC1 ZINC000628421734 565788629 /nfs/dbraw/zinc/78/86/29/565788629.db2.gz SSQMCBMTZPDNOG-UHFFFAOYSA-N 1 0 376.280 2.727 20 0 GFADRO COc1ccc([C@H](C[NH+](C)C)NC(=O)c2ncc(Br)s2)cc1 ZINC000671931196 565791851 /nfs/dbraw/zinc/79/18/51/565791851.db2.gz CRYRQBAHAAXWGL-LBPRGKRZSA-N 1 0 384.299 2.947 20 0 GFADRO C[NH+](C)CCn1nccc1NC(=O)[C@@H]1CCOc2ccc(Br)cc21 ZINC000650059026 565795515 /nfs/dbraw/zinc/79/55/15/565795515.db2.gz QVBARQDBSVSUKK-CYBMUJFWSA-N 1 0 393.285 2.712 20 0 GFADRO Cc1cc(C(=O)N2CC(C[NH+](C)C)C2)c(I)cc1Cl ZINC000602156307 565826889 /nfs/dbraw/zinc/82/68/89/565826889.db2.gz VNTVRQAFJPWRES-UHFFFAOYSA-N 1 0 392.668 2.887 20 0 GFADRO C[N@@H+]1CCCN(C(=O)c2ccc3[nH]cc(I)c3c2)CC1 ZINC000602028339 565816687 /nfs/dbraw/zinc/81/66/87/565816687.db2.gz ACOYUPKSAHSBID-UHFFFAOYSA-N 1 0 383.233 2.550 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCN(c2cccc(Br)c2)CC1 ZINC000672895028 565821554 /nfs/dbraw/zinc/82/15/54/565821554.db2.gz PFNZMGNVXVBRAI-QGZVFWFLSA-N 1 0 395.345 2.765 20 0 GFADRO C[C@H]1C[C@@H](NC(=O)c2ccc3[nH]cc(I)c3c2)CC[N@@H+]1C ZINC000602107520 565823323 /nfs/dbraw/zinc/82/33/23/565823323.db2.gz GNECHJYPNFIISL-JQWIXIFHSA-N 1 0 397.260 2.985 20 0 GFADRO O=C(CCCSc1ccc(Br)cc1)NCC[N@H+]1CC[C@@H](O)C1 ZINC000629174976 565826884 /nfs/dbraw/zinc/82/68/84/565826884.db2.gz PVRPLFZDBWDGOE-CQSZACIVSA-N 1 0 387.343 2.504 20 0 GFADRO Cc1cccc2c1C[C@H]([NH2+][C@H](C(N)=O)c1cccc(Br)c1)CO2 ZINC000629252892 565832720 /nfs/dbraw/zinc/83/27/20/565832720.db2.gz ZSBJZTSBLGCYQF-YOEHRIQHSA-N 1 0 375.266 2.877 20 0 GFADRO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCCN2Cc2cnc3ccc(Br)cn23)C1 ZINC000650723196 565834136 /nfs/dbraw/zinc/83/41/36/565834136.db2.gz ITLUKOGBVDFJRX-HYVNUMGLSA-N 1 0 393.329 2.958 20 0 GFADRO O=C(N[C@@H](CO)C[NH+]1CCCC1)c1ccc(Br)cc1C(F)(F)F ZINC000673531279 565839098 /nfs/dbraw/zinc/83/90/98/565839098.db2.gz LJKOHINLMYDTLP-LLVKDONJSA-N 1 0 395.219 2.654 20 0 GFADRO COc1cc(NC(=O)NCC(C)(C)N2CC[NH+](C)CC2)ccc1Br ZINC000673766590 565845511 /nfs/dbraw/zinc/84/55/11/565845511.db2.gz MMGSDJJZOJYUPV-UHFFFAOYSA-N 1 0 399.333 2.605 20 0 GFADRO CC(C)c1nc(S(=O)(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)c[nH]1 ZINC000673821175 565848385 /nfs/dbraw/zinc/84/83/85/565848385.db2.gz OJLNDSPPGGKSNN-AWEZNQCLSA-N 1 0 382.555 2.785 20 0 GFADRO Cc1csc(Nc2ccc(NC(=O)C3([S@](C)=O)CC[NH2+]CC3)cc2)n1 ZINC000602452574 565848460 /nfs/dbraw/zinc/84/84/60/565848460.db2.gz DNZKFADAQYXHMH-VWLOTQADSA-N 1 0 378.523 2.634 20 0 GFADRO CCOC(=O)c1sc2ccsc2c1CNC(=O)[C@]1(C)C[C@H](OC)C[NH2+]1 ZINC000602453865 565848629 /nfs/dbraw/zinc/84/86/29/565848629.db2.gz JZMWIMJBGGXVMQ-BTDLBPIBSA-N 1 0 382.507 2.523 20 0 GFADRO COC(=O)CCC1CC[NH+](Cc2cnn3cc(Br)cnc23)CC1 ZINC000602467320 565850109 /nfs/dbraw/zinc/85/01/09/565850109.db2.gz HGBRSCHDPXASEU-UHFFFAOYSA-N 1 0 381.274 2.657 20 0 GFADRO O=C(N[C@H]1CC[N@H+](CC2CC2)C1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000651295465 565854438 /nfs/dbraw/zinc/85/44/38/565854438.db2.gz FXEJKXCCFUABGL-LSDHHAIUSA-N 1 0 379.298 2.916 20 0 GFADRO Cc1sc2nc(CS[C@H](C)C(=O)N[C@@H]3CC[NH2+][C@H]3C)[nH]c(=O)c2c1C ZINC000602569976 565854928 /nfs/dbraw/zinc/85/49/28/565854928.db2.gz FKCUOTXHMXACFC-MVWJERBFSA-N 1 0 380.539 2.502 20 0 GFADRO CN(C(=O)[C@H]1CCOc2ccc(Br)cc21)[C@@H]1C[NH+]2CCC1CC2 ZINC000651307781 565855541 /nfs/dbraw/zinc/85/55/41/565855541.db2.gz PVNYOVFZSSVJOC-GOEBONIOSA-N 1 0 379.298 2.868 20 0 GFADRO COc1ccc(C(=O)N[C@H]2CC[C@H](C[NH3+])CC2)c(I)c1 ZINC000602597311 565856749 /nfs/dbraw/zinc/85/67/49/565856749.db2.gz ASQLUIKNXDBABV-XYPYZODXSA-N 1 0 388.249 2.547 20 0 GFADRO CC(C)Oc1cc(C(=O)NC[C@@H](C)N2CC[NH+](C)CC2)ccc1Br ZINC000651335699 565857850 /nfs/dbraw/zinc/85/78/50/565857850.db2.gz WUCXZSRVRXLFEI-CQSZACIVSA-N 1 0 398.345 2.602 20 0 GFADRO CC(=O)N(c1nc(CN2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)cs1)C1CC1 ZINC000629564674 565858935 /nfs/dbraw/zinc/85/89/35/565858935.db2.gz UAXWDTYYBPWJPH-SMDDNHRTSA-N 1 0 376.448 2.618 20 0 GFADRO C[C@H](C(=O)NCc1ccccc1Cl)N1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629564666 565859235 /nfs/dbraw/zinc/85/92/35/565859235.db2.gz IIVVRXNQJFUKHT-XBFCOCLRSA-N 1 0 377.838 2.804 20 0 GFADRO COc1ccc(NC(=O)CN2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1Cl ZINC000629566420 565859245 /nfs/dbraw/zinc/85/92/45/565859245.db2.gz SITJFSWQIUUKIR-PWSUYJOCSA-N 1 0 379.810 2.746 20 0 GFADRO COc1ccc(Cl)cc1NC(=O)CN1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629567194 565859263 /nfs/dbraw/zinc/85/92/63/565859263.db2.gz PAQSTGXUWNPXOS-JQWIXIFHSA-N 1 0 379.810 2.746 20 0 GFADRO C[C@H](NC(=O)CN1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1)c1ccccc1Cl ZINC000629566601 565859488 /nfs/dbraw/zinc/85/94/88/565859488.db2.gz MYXPQTAGRSIIFS-OUCADQQQSA-N 1 0 377.838 2.976 20 0 GFADRO COc1ncc(Br)cc1C[NH2+]C[C@H](O)COc1cccc(C)c1 ZINC000629593870 565861591 /nfs/dbraw/zinc/86/15/91/565861591.db2.gz XLZPGRDHCXMXIA-HNNXBMFYSA-N 1 0 381.270 2.691 20 0 GFADRO Cc1ccc(Cl)c(OC[C@@H](O)C[NH2+]C[C@@H](n2cccn2)C(F)(F)F)c1 ZINC000629599074 565862903 /nfs/dbraw/zinc/86/29/03/565862903.db2.gz MXEQTOAVEMACOV-SWLSCSKDSA-N 1 0 377.794 2.978 20 0 GFADRO CC(C)(C[NH2+]C[C@@H](O)COc1c(Cl)cccc1Cl)C(=O)N1CCCC1 ZINC000629604012 565863530 /nfs/dbraw/zinc/86/35/30/565863530.db2.gz WEHRNSIOZUNAMP-CYBMUJFWSA-N 1 0 389.323 2.971 20 0 GFADRO CC(C)(CC[NH2+]Cc1ccc(I)s1)S(C)(=O)=O ZINC000602692255 565864246 /nfs/dbraw/zinc/86/42/46/565864246.db2.gz XALRKKJTQIYCPE-UHFFFAOYSA-N 1 0 387.308 2.656 20 0 GFADRO CC[C@@H](C[NH+]1CCCC1)NS(=O)(=O)c1ccc(C)c(Br)c1 ZINC000674346400 565869620 /nfs/dbraw/zinc/86/96/20/565869620.db2.gz OSBQFEJRFXXYSC-ZDUSSCGKSA-N 1 0 375.332 2.910 20 0 GFADRO COc1nc(N2CC[C@@H]([N@H+](C)Cc3ccccc3)C2)ncc1Br ZINC000674747725 565882435 /nfs/dbraw/zinc/88/24/35/565882435.db2.gz NXFAWBNPSVXZKQ-CQSZACIVSA-N 1 0 377.286 2.958 20 0 GFADRO C[NH+](C)CCN(Cc1ccsc1)S(=O)(=O)c1cccc2c1OCCC2 ZINC000651738577 565890305 /nfs/dbraw/zinc/89/03/05/565890305.db2.gz QCDMYYWKXBEQNA-UHFFFAOYSA-N 1 0 380.535 2.826 20 0 GFADRO C[NH+]1CCC2(CC1)CN(S(=O)(=O)Cc1cc(Cl)sc1Cl)CCO2 ZINC000651755473 565891096 /nfs/dbraw/zinc/89/10/96/565891096.db2.gz PMTSCZBIDNKXKP-UHFFFAOYSA-N 1 0 399.365 2.681 20 0 GFADRO C[NH+](C)C[C@H]1CN(S(=O)(=O)c2cc(F)ccc2Cl)c2ccccc2O1 ZINC000675469233 565904884 /nfs/dbraw/zinc/90/48/84/565904884.db2.gz IOKNDLMIQLWJSL-ZDUSSCGKSA-N 1 0 384.860 2.997 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH2+][C@H]1C[C@@H](C(N)=O)C1 ZINC000651940449 565906282 /nfs/dbraw/zinc/90/62/82/565906282.db2.gz OWDHECUHAXWMOA-XBXGTLAGSA-N 1 0 377.286 2.605 20 0 GFADRO C[N@@H+]1CCCN(CCCNC(=O)c2ccc(Br)c(Cl)c2)CC1 ZINC000675638155 565911652 /nfs/dbraw/zinc/91/16/52/565911652.db2.gz WSKGKGJGYWDHSI-UHFFFAOYSA-N 1 0 388.737 2.860 20 0 GFADRO O[C@]1(CC[NH2+]Cc2ncc(Br)cc2Br)CCCOC1 ZINC000652040903 565912953 /nfs/dbraw/zinc/91/29/53/565912953.db2.gz OTGVJEXOYCZVDO-ZDUSSCGKSA-N 1 0 394.107 2.628 20 0 GFADRO [NH3+]C[C@]12CCC[C@H]1C[N@H+](CCC(=O)Nc1ccc(Br)cc1F)C2 ZINC000652351214 565922699 /nfs/dbraw/zinc/92/26/99/565922699.db2.gz NDNHCNIICGGISX-SJCJKPOMSA-N 1 0 384.293 2.978 20 0 GFADRO CC[NH2+]CC1CCN(S(=O)(=O)c2sc(Br)cc2C)CC1 ZINC000652366335 565924046 /nfs/dbraw/zinc/92/40/46/565924046.db2.gz QCSMIMUYMXJQSN-UHFFFAOYSA-N 1 0 381.361 2.829 20 0 GFADRO C[NH2+]CCC1CCN(S(=O)(=O)c2sc(Br)cc2C)CC1 ZINC000652369226 565924526 /nfs/dbraw/zinc/92/45/26/565924526.db2.gz QSDQZRDTXPNQND-UHFFFAOYSA-N 1 0 381.361 2.829 20 0 GFADRO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCCN2CC(=O)Nc2ccc(Br)cc2)C1 ZINC000652360523 565924841 /nfs/dbraw/zinc/92/48/41/565924841.db2.gz KDZKHVDMNMBWJJ-HYVNUMGLSA-N 1 0 396.329 2.748 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(S(=O)(=O)c3c(Cl)ccc(F)c3F)C2)C1 ZINC000652374218 565925341 /nfs/dbraw/zinc/92/53/41/565925341.db2.gz MBSQBJOXXVOYSU-GYSYKLTISA-N 1 0 394.871 2.525 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(S(=O)(=O)Cc3ccc(Cl)c(F)c3)C2)C1 ZINC000652374207 565925347 /nfs/dbraw/zinc/92/53/47/565925347.db2.gz LSTDHKAXJMPXQQ-CPUCHLNUSA-N 1 0 390.908 2.527 20 0 GFADRO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCN(S(=O)(=O)Cc3cc(Cl)ccc3F)C2)C1 ZINC000652374564 565925480 /nfs/dbraw/zinc/92/54/80/565925480.db2.gz VYWSSVAFMQHGTB-SRCQZFHVSA-N 1 0 390.908 2.527 20 0 GFADRO COc1cc(S(=O)(=O)N2CCC[C@@H](C)[C@@H]2CC[NH3+])ccc1Br ZINC000652377306 565925749 /nfs/dbraw/zinc/92/57/49/565925749.db2.gz DQMCXBVIKABNTR-RISCZKNCSA-N 1 0 391.331 2.596 20 0 GFADRO C[NH2+]Cc1ccccc1CNS(=O)(=O)Cc1ccc(Br)cc1 ZINC000652381754 565926513 /nfs/dbraw/zinc/92/65/13/565926513.db2.gz MSVGIKAWVQITHA-UHFFFAOYSA-N 1 0 383.311 2.788 20 0 GFADRO C[NH2+]Cc1ccccc1CNS(=O)(=O)c1cc(C)ccc1Br ZINC000652381865 565927576 /nfs/dbraw/zinc/92/75/76/565927576.db2.gz WYQWGRIXOOEREH-UHFFFAOYSA-N 1 0 383.311 2.955 20 0 GFADRO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCCN2S(=O)(=O)c2cccc(Cl)c2F)C1 ZINC000652384751 565927593 /nfs/dbraw/zinc/92/75/93/565927593.db2.gz MEWWPCNVEQPSPB-MRVWCRGKSA-N 1 0 376.881 2.529 20 0 GFADRO O=C(CCN1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)Nc1c(Cl)cccc1Cl ZINC000604384526 565928336 /nfs/dbraw/zinc/92/83/36/565928336.db2.gz VMZVSAPWEYVDFJ-CVEARBPZSA-N 1 0 386.323 2.853 20 0 GFADRO CCO[C@@H]1CN(C(=O)Nc2c(F)cc(Br)cc2F)C[C@H]1C[NH3+] ZINC000652580698 565934851 /nfs/dbraw/zinc/93/48/51/565934851.db2.gz ZQWYJQRERDUVEF-PRHODGIISA-N 1 0 378.217 2.555 20 0 GFADRO O=C(c1ccncc1)N1CCC([NH2+]Cc2ccncc2Br)CC1 ZINC000631045176 565934862 /nfs/dbraw/zinc/93/48/62/565934862.db2.gz PIDAOOWVLJZQOB-UHFFFAOYSA-N 1 0 375.270 2.634 20 0 GFADRO CO[C@H](c1ccccc1F)[C@@H](C)[NH2+]Cc1ccc(Cl)c(S(N)(=O)=O)c1 ZINC000631107442 565940982 /nfs/dbraw/zinc/94/09/82/565940982.db2.gz ADZFAYGVSFUHEE-DIFFPNOSSA-N 1 0 386.876 2.992 20 0 GFADRO CCNC(=O)CN1CC[NH+](CC/C=C\c2ccc(Br)cc2)CC1 ZINC000604997158 565942683 /nfs/dbraw/zinc/94/26/83/565942683.db2.gz UBJQBZMLASDEKV-HYXAFXHYSA-N 1 0 380.330 2.606 20 0 GFADRO CC[C@H](C[NH+]1CCCC1)NC(=O)c1cc(=O)c2cc(Br)ccc2[nH]1 ZINC000605522728 565952416 /nfs/dbraw/zinc/95/24/16/565952416.db2.gz PZRMENKVAKQRCX-CYBMUJFWSA-N 1 0 392.297 2.895 20 0 GFADRO O=C(COc1ccc(Br)cn1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000631273379 565952602 /nfs/dbraw/zinc/95/26/02/565952602.db2.gz UEVVCDBKBKGYDX-UHFFFAOYSA-N 1 0 382.302 2.557 20 0 GFADRO C[NH+](C)CC[C@H](N)C(=O)Nc1ncc(Cc2cccc(Br)c2)s1 ZINC000653079820 565954279 /nfs/dbraw/zinc/95/42/79/565954279.db2.gz OJHAHMSJGVBPSL-AWEZNQCLSA-N 1 0 397.342 2.714 20 0 GFADRO O=C([C@@H]1CC[C@H](C2CC2)[NH2+]1)N1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000653078010 565954590 /nfs/dbraw/zinc/95/45/90/565954590.db2.gz ROIIQVHTRXFFGG-IXDOHACOSA-N 1 0 379.298 2.880 20 0 GFADRO O=C(c1cnc(-c2cccc(Cl)c2)s1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000653139639 565956551 /nfs/dbraw/zinc/95/65/51/565956551.db2.gz PEWYMFPMRXYLQC-HNNXBMFYSA-N 1 0 376.913 2.583 20 0 GFADRO O=C(N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653154913 565956643 /nfs/dbraw/zinc/95/66/43/565956643.db2.gz COIKYSBHRSTYEC-ARFHVFGLSA-N 1 0 382.291 2.746 20 0 GFADRO Cc1c(Br)c[nH]c(=O)c1C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000631412081 565956830 /nfs/dbraw/zinc/95/68/30/565956830.db2.gz PCJPJNJKKGIPCG-ZDUSSCGKSA-N 1 0 382.302 2.949 20 0 GFADRO Cc1ccc(Cl)c(S(=O)(=O)NCC2([NH+](C)C)CCOCC2)c1Cl ZINC000605787676 565957248 /nfs/dbraw/zinc/95/72/48/565957248.db2.gz SNUGZTPWVBUTKC-UHFFFAOYSA-N 1 0 381.325 2.691 20 0 GFADRO C[C@@H](CNC(=O)N1CCc2[nH]c3ccc(Br)cc3c2C1)[NH+](C)C ZINC000653164313 565957754 /nfs/dbraw/zinc/95/77/54/565957754.db2.gz VFIICNYGODKMMN-NSHDSACASA-N 1 0 379.302 2.948 20 0 GFADRO COCC[N@@H+]1CC[C@@H](NC(=O)NCC(C)(C)c2cccc(Br)c2)C1 ZINC000605882387 565958273 /nfs/dbraw/zinc/95/82/73/565958273.db2.gz OEABFXOTCBIXJT-MRXNPFEDSA-N 1 0 398.345 2.747 20 0 GFADRO COc1ccc(Br)c(C(=O)N2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)c1 ZINC000653190655 565958417 /nfs/dbraw/zinc/95/84/17/565958417.db2.gz MYINFEVRCLRZBN-OGHNNQOOSA-N 1 0 397.313 2.816 20 0 GFADRO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCN(C(=O)COc3cccc(Br)c3)C2)C1 ZINC000653191568 565958543 /nfs/dbraw/zinc/95/85/43/565958543.db2.gz YAXFKXDMABYQQC-FRFSOERESA-N 1 0 397.313 2.573 20 0 GFADRO COc1cc(C(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)cc(Br)c1OC ZINC000653193886 565958560 /nfs/dbraw/zinc/95/85/60/565958560.db2.gz LOGQOYYXAAFNBS-SJCJKPOMSA-N 1 0 383.286 2.667 20 0 GFADRO C[C@@H]1CCCN(C(=O)c2c3ccc(Br)cc3nn2C)[C@@H]1CC[NH3+] ZINC000653243781 565959763 /nfs/dbraw/zinc/95/97/63/565959763.db2.gz MYLZLMBMXZUVNQ-IAQYHMDHSA-N 1 0 379.302 2.925 20 0 GFADRO COc1ccc(Br)cc1C(=O)CCC(=O)NCCC1CC[NH2+]CC1 ZINC000653268296 565961605 /nfs/dbraw/zinc/96/16/05/565961605.db2.gz FFWKUWALBWXIMC-UHFFFAOYSA-N 1 0 397.313 2.927 20 0 GFADRO O=C(CN1CCC[N@H+](C[C@@H]2CCCO2)CC1)Nc1ccc(Br)cc1 ZINC000606436414 565963424 /nfs/dbraw/zinc/96/34/24/565963424.db2.gz BWDMOSFGKQFPFX-KRWDZBQOSA-N 1 0 396.329 2.574 20 0 GFADRO CC[N@@H+]1CCN(C(=O)[C@@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)C[C@@H]1C ZINC000677184981 565964342 /nfs/dbraw/zinc/96/43/42/565964342.db2.gz VXUPLOPXOHVGHU-JSGCOSHPSA-N 1 0 384.307 2.899 20 0 GFADRO O=C(N=c1cc(-c2ccc(Br)s2)[nH][nH]1)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653346210 565964329 /nfs/dbraw/zinc/96/43/29/565964329.db2.gz MOECMBSOQHKJJS-ZJUUUORDSA-N 1 0 381.299 2.792 20 0 GFADRO CC[N@@H+]1CCN(C(=O)Nc2ccn(-c3ccc(Br)cc3)n2)C[C@@H]1C ZINC000653362961 565964807 /nfs/dbraw/zinc/96/48/07/565964807.db2.gz UNYQXYXZEDJMPZ-ZDUSSCGKSA-N 1 0 392.301 2.615 20 0 GFADRO O=C(NCC[NH2+][C@H]1CCCc2ncccc21)c1ccc(Br)cn1 ZINC000631644630 565965064 /nfs/dbraw/zinc/96/50/64/565965064.db2.gz HOJWOCFGVVNCBP-HNNXBMFYSA-N 1 0 375.270 2.636 20 0 GFADRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]Cc3cn4cc(Br)ccc4n3)[C@@H]2C1 ZINC000677267007 565967947 /nfs/dbraw/zinc/96/79/47/565967947.db2.gz MKBJHPLVZRKFDD-XKQJLSEDSA-N 1 0 391.313 2.833 20 0 GFADRO CC(=O)N1CC[C@@H](C[N@H+](C)C[C@@H](O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000677267702 565968311 /nfs/dbraw/zinc/96/83/11/565968311.db2.gz JBSLCXXXFZHYGH-UONOGXRCSA-N 1 0 375.296 2.533 20 0 GFADRO C[NH+](C)C[C@H]1CN(S(=O)(=O)c2cc(F)cc(Cl)c2)c2ccccc2O1 ZINC000677315313 565969460 /nfs/dbraw/zinc/96/94/60/565969460.db2.gz YCHKMLZLSRWZCV-AWEZNQCLSA-N 1 0 384.860 2.997 20 0 GFADRO C[NH+](C)CCN(Cc1ccc(F)c(F)c1)S(=O)(=O)C[C@H]1CCC1(F)F ZINC000631813144 565977014 /nfs/dbraw/zinc/97/70/14/565977014.db2.gz KUZFUNLPPSZZSY-CYBMUJFWSA-N 1 0 382.423 2.704 20 0 GFADRO Brc1cccc(Cc2noc(CN3CCC[C@@H]4C[NH2+]CC[C@H]43)n2)c1 ZINC000631885878 565980186 /nfs/dbraw/zinc/98/01/86/565980186.db2.gz CEWLBAMDQRXCCM-GDBMZVCRSA-N 1 0 391.313 2.997 20 0 GFADRO CN(Cc1cc(Br)cs1)C(=O)CN1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631888510 565981200 /nfs/dbraw/zinc/98/12/00/565981200.db2.gz WQONKALUZKYLLK-SWLSCSKDSA-N 1 0 386.359 2.543 20 0 GFADRO CC(C)[N@H+](C)CC1CCN(S(=O)(=O)c2ccc3[nH]c(=O)sc3c2)CC1 ZINC000631890117 565981515 /nfs/dbraw/zinc/98/15/15/565981515.db2.gz OSIIMNWYYNRGMT-UHFFFAOYSA-N 1 0 383.539 2.743 20 0 GFADRO CN(Cc1cc(Br)cs1)C(=O)C[N@@H+]1CCCCC[C@H]1CO ZINC000653783590 565982039 /nfs/dbraw/zinc/98/20/39/565982039.db2.gz YNHDRJMLKFVZBL-ZDUSSCGKSA-N 1 0 375.332 2.706 20 0 GFADRO [NH3+]C1CCC(NS(=O)(=O)c2cnc3c(Br)csc3c2)CC1 ZINC000631902568 565982098 /nfs/dbraw/zinc/98/20/98/565982098.db2.gz LJBBRWOPMZRPIB-UHFFFAOYSA-N 1 0 390.328 2.607 20 0 GFADRO CN(C1CC[NH2+]CC1)S(=O)(=O)N(Cc1cccs1)Cc1cccs1 ZINC000631909722 565982338 /nfs/dbraw/zinc/98/23/38/565982338.db2.gz NIIXYDXPNCJSBV-UHFFFAOYSA-N 1 0 385.580 2.740 20 0 GFADRO C[C@H]1CCC[C@H](C)[NH+]1CCNS(=O)(=O)Cc1ncsc1Br ZINC000631920797 565983105 /nfs/dbraw/zinc/98/31/05/565983105.db2.gz GRHPTHVGHCZJRV-QWRGUYRKSA-N 1 0 396.376 2.588 20 0 GFADRO O[C@]1(CNCc2ccc(Br)cn2)CC[N@H+](Cc2ccccc2)C1 ZINC000607366736 565983976 /nfs/dbraw/zinc/98/39/76/565983976.db2.gz RWFJQUQALSZCPL-SFHVURJKSA-N 1 0 376.298 2.571 20 0 GFADRO O=S(=O)(c1ccc(C(F)(F)C(F)(F)F)cc1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000631932463 565984261 /nfs/dbraw/zinc/98/42/61/565984261.db2.gz VITHLWOWQGPNGF-GXFFZTMASA-N 1 0 384.370 2.713 20 0 GFADRO Cc1nc(S(=O)(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)c(-c2ccccc2)s1 ZINC000631939570 565984868 /nfs/dbraw/zinc/98/48/68/565984868.db2.gz CRHZOKOCQVBKDV-IYBDPMFKSA-N 1 0 377.535 2.739 20 0 GFADRO O=S(=O)(NCc1cccc2c1CC[NH2+]C2)c1cscc1Br ZINC000631962449 565986747 /nfs/dbraw/zinc/98/67/47/565986747.db2.gz JJONFTHVMCJKNN-UHFFFAOYSA-N 1 0 387.324 2.635 20 0 GFADRO [NH3+]Cc1ccc2c(c1)N(S(=O)(=O)C1CCC(C(F)(F)F)CC1)CCO2 ZINC000631958187 565986782 /nfs/dbraw/zinc/98/67/82/565986782.db2.gz MCMAKIIZPILJBE-UHFFFAOYSA-N 1 0 378.416 2.795 20 0 GFADRO O=C1C[C@@H]([C@@H]2CCCC[N@H+]2Cc2cn3cc(Br)ccc3n2)CN1 ZINC000677903429 565986839 /nfs/dbraw/zinc/98/68/39/565986839.db2.gz VUSIVFBTGBZKBB-DOMZBBRYSA-N 1 0 377.286 2.587 20 0 GFADRO COc1ccc(S(=O)(=O)N[C@@H]2CC[NH2+]CC(C)(C)C2)c(Br)c1 ZINC000631978090 565987383 /nfs/dbraw/zinc/98/73/83/565987383.db2.gz ZQOXYQYFKVRGFT-LLVKDONJSA-N 1 0 391.331 2.514 20 0 GFADRO C[N@H+](CC(=O)N1CCc2c(F)cc(Br)cc2C1)[C@H]1CCSC1 ZINC000677910732 565987859 /nfs/dbraw/zinc/98/78/59/565987859.db2.gz IREBCZNXZXDOSK-ZDUSSCGKSA-N 1 0 387.318 2.910 20 0 GFADRO C[C@H]1C[C@H](NC(=O)c2cc(=O)[nH]c3ccc(Br)cc32)CC[N@@H+]1C ZINC000607689115 565988087 /nfs/dbraw/zinc/98/80/87/565988087.db2.gz KPBJACLKQXPJOK-CMPLNLGQSA-N 1 0 378.270 2.915 20 0 GFADRO COCC[N@@H+]1CCC[C@H](NC(=O)[C@@H](C)Cc2ccc(Br)cc2)C1 ZINC000677964867 565990797 /nfs/dbraw/zinc/99/07/97/565990797.db2.gz IXZXDPNQAWSOTG-YOEHRIQHSA-N 1 0 383.330 2.855 20 0 GFADRO COCC[N@@H+]1CCC[C@H](NC(=O)CSc2cccc(Br)c2)C1 ZINC000678005168 565992903 /nfs/dbraw/zinc/99/29/03/565992903.db2.gz HTEJIILWSDGWMV-AWEZNQCLSA-N 1 0 387.343 2.768 20 0 GFADRO COc1cc(Br)cc(NC(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)c1 ZINC000678016857 565993002 /nfs/dbraw/zinc/99/30/02/565993002.db2.gz XWMMEDNQDYWMKB-HOTGVXAUSA-N 1 0 398.301 2.521 20 0 GFADRO O=S(=O)(NC1CC[NH+](C2CCCCC2)CC1)c1c[nH]nc1C(F)(F)F ZINC000632061977 565995898 /nfs/dbraw/zinc/99/58/98/565995898.db2.gz KNQXXWBCVOJGDB-UHFFFAOYSA-N 1 0 380.436 2.504 20 0 GFADRO COc1ccc(S(=O)(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)c(Cl)c1Cl ZINC000608024156 565997680 /nfs/dbraw/zinc/99/76/80/565997680.db2.gz ZRXYJTHDMLQYJV-LLVKDONJSA-N 1 0 379.309 2.765 20 0 GFADRO CCC(=O)N1CCC([NH2+]Cc2cc(OC)c(OC)cc2Br)CC1 ZINC000608068503 566000718 /nfs/dbraw/zinc/00/07/18/566000718.db2.gz MIQZSGUUDVCGGO-UHFFFAOYSA-N 1 0 385.302 2.957 20 0 GFADRO C[C@@H]1C[C@H]1N1C[C@H]([NH2+]CC2=Cc3cc(Br)ccc3OC2)CC1=O ZINC000608072030 566002184 /nfs/dbraw/zinc/00/21/84/566002184.db2.gz LQWAXEKXEYNLIV-HFBAOOFYSA-N 1 0 377.282 2.824 20 0 GFADRO C[NH+](C)CC1CCC(NS(=O)(=O)c2cscc2Br)CC1 ZINC000632132319 566002687 /nfs/dbraw/zinc/00/26/87/566002687.db2.gz LENIDFPANWGXFU-UHFFFAOYSA-N 1 0 381.361 2.909 20 0 GFADRO C[C@@H](C[N@H+](C)CCN1CCCS1(=O)=O)c1cccc(Br)c1 ZINC000678297418 566005531 /nfs/dbraw/zinc/00/55/31/566005531.db2.gz IXOCXLUCVPVABL-ZDUSSCGKSA-N 1 0 375.332 2.520 20 0 GFADRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N1CCOc2cccc(Br)c2C1 ZINC000654487442 566010676 /nfs/dbraw/zinc/01/06/76/566010676.db2.gz IVQNIALUMYMYNX-BLLLJJGKSA-N 1 0 394.313 2.836 20 0 GFADRO C[C@@H](CNC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)Oc1cccc(Br)c1 ZINC000654465675 566011275 /nfs/dbraw/zinc/01/12/75/566011275.db2.gz WGUUAACZJJSROV-KCQAQPDRSA-N 1 0 384.318 2.856 20 0 GFADRO Cc1c([C@H](C)[NH2+]CCc2nnnn2C)cnn1-c1ccc(Cl)cc1Cl ZINC000678548602 566012442 /nfs/dbraw/zinc/01/24/42/566012442.db2.gz OGCDYMUQMKFKEW-JTQLQIEISA-N 1 0 380.283 2.904 20 0 GFADRO O=S1(=O)CCCN1CCC[NH2+][C@@H]1CCCc2ccc(Br)cc21 ZINC000678582570 566013741 /nfs/dbraw/zinc/01/37/41/566013741.db2.gz LBJWZQIPYDGBNA-MRXNPFEDSA-N 1 0 387.343 2.842 20 0 GFADRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)N[C@@H](c2cncc(Br)c2)C2CC2)C1 ZINC000654559449 566014289 /nfs/dbraw/zinc/01/42/89/566014289.db2.gz ZGXUBPXJWZPPSD-XFBWCDHKSA-N 1 0 381.318 2.935 20 0 GFADRO C[N@H+](CCCCNC(=O)c1cnc2ncc(Br)cc2c1)C1CC1 ZINC000654641243 566016918 /nfs/dbraw/zinc/01/69/18/566016918.db2.gz SYVDOXHEBDCJIU-UHFFFAOYSA-N 1 0 377.286 2.997 20 0 GFADRO CS(=O)(=O)Nc1ccc(OCC[NH2+][C@H]2Cc3ccc(Cl)cc3C2)cc1 ZINC000678698809 566017234 /nfs/dbraw/zinc/01/72/34/566017234.db2.gz ARIIOSGZXBFFPK-KRWDZBQOSA-N 1 0 380.897 2.847 20 0 GFADRO O=S1(=O)CC[C@@H]([NH2+]CCN2CCc3sccc3C2)c2cc(F)ccc21 ZINC000678805906 566020758 /nfs/dbraw/zinc/02/07/58/566020758.db2.gz HIAOAKSMGDRYFK-MRXNPFEDSA-N 1 0 380.510 2.754 20 0 GFADRO CC(C)[C@H]([NH2+]C[C@H](O)COc1c(Cl)cccc1Cl)C(=O)N1CCCC1 ZINC000678777893 566021019 /nfs/dbraw/zinc/02/10/19/566021019.db2.gz SCFKUEDWFKFMKN-BBRMVZONSA-N 1 0 389.323 2.970 20 0 GFADRO C[C@@H](NC(=O)c1ccc2cncc(Br)c2n1)C1=CC[N@H+](C)CC1 ZINC000632367807 566025524 /nfs/dbraw/zinc/02/55/24/566025524.db2.gz WRKNDBFNRQKAST-LLVKDONJSA-N 1 0 375.270 2.773 20 0 GFADRO O=S(=O)(CC[NH2+]C1(CO)CCCCC1)c1cccc(Br)c1 ZINC000678973386 566026961 /nfs/dbraw/zinc/02/69/61/566026961.db2.gz ZJUGTSZTATWKTK-UHFFFAOYSA-N 1 0 376.316 2.508 20 0 GFADRO C[C@H]([NH2+]C[C@H]1CCC[C@]12NC(=O)N(C)C2=O)c1ccc(Br)c(F)c1 ZINC000679066103 566029233 /nfs/dbraw/zinc/02/92/33/566029233.db2.gz PTTRGUWDLPPAHK-BFCNOCSMSA-N 1 0 398.276 2.959 20 0 GFADRO O=C(Nc1ccc(Br)cc1)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000654947392 566031333 /nfs/dbraw/zinc/03/13/33/566031333.db2.gz TYTKPYGRSAFHIR-GJZGRUSLSA-N 1 0 380.286 2.521 20 0 GFADRO COCCOc1ccc(Br)cc1NC(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000679237081 566034478 /nfs/dbraw/zinc/03/44/78/566034478.db2.gz DJJCBRSTPAXCNF-CYBMUJFWSA-N 1 0 386.290 2.690 20 0 GFADRO CC[NH+](CC)CC[C@@H](CO)NC(=O)CCc1cc(Br)ccc1F ZINC000655048120 566037773 /nfs/dbraw/zinc/03/77/73/566037773.db2.gz REDCEQVGCGMDQQ-HNNXBMFYSA-N 1 0 389.309 2.730 20 0 GFADRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)c2[nH]nc(-c3ccccc3)c2Br)C1 ZINC000655246851 566049640 /nfs/dbraw/zinc/04/96/40/566049640.db2.gz NRKBHCYEKALHJS-BJHJDKERSA-N 1 0 377.286 2.909 20 0 GFADRO Cn1cnnc1Sc1ccc(NC(=O)[C@@H]2C[C@]23CCC[NH2+]C3)cc1Cl ZINC000655437186 566057099 /nfs/dbraw/zinc/05/70/99/566057099.db2.gz RTTYLYSKHLYJHA-SJCJKPOMSA-N 1 0 377.901 2.948 20 0 GFADRO C[NH+](C)CCc1ccc(CNC(=O)COc2ccc(Br)cn2)cc1 ZINC000632702455 566060375 /nfs/dbraw/zinc/06/03/75/566060375.db2.gz RMCRSVJGFKTZDV-UHFFFAOYSA-N 1 0 392.297 2.643 20 0 GFADRO [NH3+]C[C@@H](NC(=O)[C@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl)C(F)(F)F ZINC000655508153 566061249 /nfs/dbraw/zinc/06/12/49/566061249.db2.gz BPKORHSATLDTPP-VXGBXAGGSA-N 1 0 398.212 2.604 20 0 GFADRO CC(C)c1nc(C(=O)N[C@H](C[NH3+])C(F)(F)F)nn1-c1ccccc1Cl ZINC000655511790 566062498 /nfs/dbraw/zinc/06/24/98/566062498.db2.gz LFLMOQVPJHONIN-LLVKDONJSA-N 1 0 375.782 2.664 20 0 GFADRO C[C@H](CC(=O)N1C[C@@H](C[NH3+])Cc2ccccc21)n1cc(Br)cn1 ZINC000632869901 566071861 /nfs/dbraw/zinc/07/18/61/566071861.db2.gz RTFRBOZFTCNVGN-CHWSQXEVSA-N 1 0 377.286 2.761 20 0 GFADRO CC(C)Oc1cc(NC(=O)N2CCCO[C@H](C[NH3+])C2)ccc1Br ZINC000632960746 566077282 /nfs/dbraw/zinc/07/72/82/566077282.db2.gz KYZJJGJTUMCTPF-CYBMUJFWSA-N 1 0 386.290 2.818 20 0 GFADRO Cc1ccc(SCC(F)(F)F)c(NC(=O)C(=O)N2C[C@@H]([NH3+])C[C@@H]2C)c1 ZINC000633039396 566080879 /nfs/dbraw/zinc/08/08/79/566080879.db2.gz SYEYDCZISHSDIA-QWRGUYRKSA-N 1 0 375.416 2.536 20 0 GFADRO Cn1cc(Br)c(=O)c(NC(=O)NC2CC[NH+](C3CCCC3)CC2)c1 ZINC000680846976 566084233 /nfs/dbraw/zinc/08/42/33/566084233.db2.gz DTSZXROYBVYHHR-UHFFFAOYSA-N 1 0 397.317 2.676 20 0 GFADRO Cc1nn(-c2cccc(Br)c2)cc1C[NH2+]CCC(=O)NC(C)C ZINC000655714998 566084753 /nfs/dbraw/zinc/08/47/53/566084753.db2.gz HEGNLNWYHAQTBQ-UHFFFAOYSA-N 1 0 379.302 2.948 20 0 GFADRO CN(C)C(=O)C1CC[NH+](C[C@H](O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000680859085 566084879 /nfs/dbraw/zinc/08/48/79/566084879.db2.gz UKSWCRFPMRWJCB-ZDUSSCGKSA-N 1 0 375.296 2.533 20 0 GFADRO Cc1nn(-c2ccccc2Br)cc1C[NH2+][C@H]1CCCS(=O)(=O)C1 ZINC000655739190 566085619 /nfs/dbraw/zinc/08/56/19/566085619.db2.gz ZEJWACGFAHPTLW-AWEZNQCLSA-N 1 0 398.326 2.610 20 0 GFADRO Cc1nn(-c2cccc(Br)c2)cc1C[NH2+]C[C@@]1(O)CCSC1 ZINC000655743188 566085873 /nfs/dbraw/zinc/08/58/73/566085873.db2.gz CXOARNAZIUPUBD-INIZCTEOSA-N 1 0 382.327 2.901 20 0 GFADRO Cc1nn(-c2cccc(Br)c2)cc1C[NH2+]C[C@@]1(O)CCO[C@H]1C ZINC000655767945 566087141 /nfs/dbraw/zinc/08/71/41/566087141.db2.gz ALJSIDCTBYCAFS-GUYCJALGSA-N 1 0 380.286 2.573 20 0 GFADRO Cc1nn(-c2cccc(Br)c2)cc1C[NH2+]C[C@H](CO)[C@@H]1CCOC1 ZINC000655768303 566087361 /nfs/dbraw/zinc/08/73/61/566087361.db2.gz UUOXUBSGZKUASX-GDBMZVCRSA-N 1 0 394.313 2.678 20 0 GFADRO CCOC1CC(O)(C[NH2+]Cc2cn(-c3ccccc3Br)nc2C)C1 ZINC000655766574 566087617 /nfs/dbraw/zinc/08/76/17/566087617.db2.gz JIXYIBSLPCMHAN-UHFFFAOYSA-N 1 0 394.313 2.963 20 0 GFADRO Cc1nn(-c2cccc(Br)c2)cc1C[NH2+][C@H](CO)[C@@H]1CCCOC1 ZINC000655781163 566088520 /nfs/dbraw/zinc/08/85/20/566088520.db2.gz AHIDSJUFKFGRJZ-RDTXWAMCSA-N 1 0 394.313 2.820 20 0 GFADRO CCN1C[C@@H](C[NH2+]Cc2cn(-c3ccccc3Br)nc2C)CC1=O ZINC000655799796 566090122 /nfs/dbraw/zinc/09/01/22/566090122.db2.gz PWQGXMWQXGMLIL-CQSZACIVSA-N 1 0 391.313 2.901 20 0 GFADRO C[C@H](c1ccccc1Cl)N1CCN(C(=O)N[C@H](C[NH3+])C(F)(F)F)CC1 ZINC000655911988 566095403 /nfs/dbraw/zinc/09/54/03/566095403.db2.gz QDPUSCKVIMZOQW-BXUZGUMPSA-N 1 0 378.826 2.618 20 0 GFADRO CC(C)(CNC(=O)N[C@H](C[NH3+])C(F)(F)F)c1cccc(Br)c1 ZINC000655913540 566095836 /nfs/dbraw/zinc/09/58/36/566095836.db2.gz AHLQETPMBCGAKO-LLVKDONJSA-N 1 0 382.224 2.916 20 0 GFADRO COc1cc(Br)ccc1[C@H](C)NC(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000655929910 566097064 /nfs/dbraw/zinc/09/70/64/566097064.db2.gz XLIPIZPNDYYMBC-WRWORJQWSA-N 1 0 384.196 2.708 20 0 GFADRO [NH3+]C[C@H](NC(=O)C(=O)NCCCc1c(Cl)cccc1Cl)C1CCCC1 ZINC000656023381 566100822 /nfs/dbraw/zinc/10/08/22/566100822.db2.gz AICAXCSHDORERX-INIZCTEOSA-N 1 0 386.323 2.676 20 0 GFADRO C[C@@]1(CNC(=O)C(=O)NCCCc2c(Cl)cccc2Cl)CCC[NH2+]C1 ZINC000656024842 566100965 /nfs/dbraw/zinc/10/09/65/566100965.db2.gz SKWQUDIAMPHYJP-GOSISDBHSA-N 1 0 386.323 2.548 20 0 GFADRO Cc1nn(-c2cccc(Br)c2)cc1C[N@@H+]1CCC[C@@H](OCCO)C1 ZINC000656251880 566116832 /nfs/dbraw/zinc/11/68/32/566116832.db2.gz NTDVUTUPOCBUAU-GOSISDBHSA-N 1 0 394.313 2.917 20 0 GFADRO CNC(=O)[C@H]1CCC[N@H+](Cc2cn(-c3ccccc3Br)nc2C)C1 ZINC000656251699 566116864 /nfs/dbraw/zinc/11/68/64/566116864.db2.gz KJJAUVWMZMYOCT-AWEZNQCLSA-N 1 0 391.313 2.901 20 0 GFADRO CC[N@@H+]1CCN(C(=O)Nc2cccc(F)c2I)C[C@H]1C ZINC000611162735 566118544 /nfs/dbraw/zinc/11/85/44/566118544.db2.gz BOFJYCUZZCCIOY-SNVBAGLBSA-N 1 0 391.228 2.988 20 0 GFADRO COc1cc(Br)ccc1CNC(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000681652521 566120027 /nfs/dbraw/zinc/12/00/27/566120027.db2.gz NTISBHFUFJWTPM-OAHLLOKOSA-N 1 0 382.302 2.741 20 0 GFADRO CS[C@@H]1CN(Cc2cc3c(cc2Br)OCCO3)C[C@H]1[NH+](C)C ZINC000611191257 566121299 /nfs/dbraw/zinc/12/12/99/566121299.db2.gz KDOFOKAUGXDRDX-CZUORRHYSA-N 1 0 387.343 2.698 20 0 GFADRO COc1ccccc1-c1nc(C(=O)N2C[C@H](SC)[C@@H]([NH+](C)C)C2)cs1 ZINC000611217610 566122007 /nfs/dbraw/zinc/12/20/07/566122007.db2.gz ZBHBESZMQRKSBZ-HOCLYGCPSA-N 1 0 377.535 2.936 20 0 GFADRO O=C(NCc1nc2c(cccc2Br)[nH]1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000656275460 566122194 /nfs/dbraw/zinc/12/21/94/566122194.db2.gz SYJDWMDARBJWQO-LBPRGKRZSA-N 1 0 392.301 2.705 20 0 GFADRO O=C(Nc1ccc(Br)cc1F)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000681705601 566123784 /nfs/dbraw/zinc/12/37/84/566123784.db2.gz KYWZMEKOAUENBG-CYBMUJFWSA-N 1 0 386.265 2.963 20 0 GFADRO CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000656360162 566125336 /nfs/dbraw/zinc/12/53/36/566125336.db2.gz RWKQBRUWJVGEKB-LSDHHAIUSA-N 1 0 383.945 2.883 20 0 GFADRO CC(C)[N@@H+]1CCCN(C(=O)c2cnc3ncc(Br)cc3c2)CC1 ZINC000681985183 566136275 /nfs/dbraw/zinc/13/62/75/566136275.db2.gz SANICJYCKNSELU-UHFFFAOYSA-N 1 0 377.286 2.949 20 0 GFADRO C[C@@H]1CN(C[C@H](O)COc2ccc(Cl)c(Cl)c2)CC[N@@H+]1CC(C)(C)O ZINC000682043184 566142307 /nfs/dbraw/zinc/14/23/07/566142307.db2.gz HPOFQZBBXWRGHQ-KGLIPLIRSA-N 1 0 391.339 2.510 20 0 GFADRO Cc1c(Br)cncc1C(=O)Nc1cnn(C2CC[NH+](C)CC2)c1 ZINC000634096317 566143559 /nfs/dbraw/zinc/14/35/59/566143559.db2.gz MHYFQZLEWQTOQG-UHFFFAOYSA-N 1 0 378.274 2.868 20 0 GFADRO Cc1cc(Br)c(CN2C(=O)NC3(CC[NH2+]CC3)C2=O)cc1Cl ZINC000656611627 566145048 /nfs/dbraw/zinc/14/50/48/566145048.db2.gz MQFXWIIRIGFRTP-UHFFFAOYSA-N 1 0 386.677 2.585 20 0 GFADRO O[C@@H](COc1cc(F)cc(Br)c1)C[NH+]1CCC2(CCOC2)CC1 ZINC000682219047 566148298 /nfs/dbraw/zinc/14/82/98/566148298.db2.gz NPSPSVJQWJOARN-OAHLLOKOSA-N 1 0 388.277 2.830 20 0 GFADRO CO[C@@H]1CCC[N@H+](C[C@@H](O)COc2cc(F)cc(Br)c2)CC1 ZINC000682218390 566148498 /nfs/dbraw/zinc/14/84/98/566148498.db2.gz HNYITFWYCSISNC-HUUCEWRRSA-N 1 0 376.266 2.829 20 0 GFADRO CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)Nc1cccc(Br)c1C ZINC000682272295 566149633 /nfs/dbraw/zinc/14/96/33/566149633.db2.gz KERSJEXKEFEDHE-CYBMUJFWSA-N 1 0 382.302 2.687 20 0 GFADRO Cc1cccc(C[N@@H+]2CC[C@H](NC(=O)c3cc[nH]c(=O)c3Br)C2)c1 ZINC000634278067 566151047 /nfs/dbraw/zinc/15/10/47/566151047.db2.gz SVUZUCAHDCYTPD-AWEZNQCLSA-N 1 0 390.281 2.862 20 0 GFADRO CC(C)(C)N1CC[C@H]1C[NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000656702277 566155589 /nfs/dbraw/zinc/15/55/89/566155589.db2.gz NOQXOQBQLMKFFB-LSDHHAIUSA-N 1 0 389.309 2.790 20 0 GFADRO C[C@@H]1CCC[C@@H](C[NH2+]CCS(=O)(=O)c2cccc(Br)c2)O1 ZINC000656710918 566156029 /nfs/dbraw/zinc/15/60/29/566156029.db2.gz NYWWCOMRRFVVPI-OCCSQVGLSA-N 1 0 376.316 2.770 20 0 GFADRO CS(=O)(=O)C1(C[NH2+]C[C@@H](O)COCc2ccc(Cl)cc2)CCCCC1 ZINC000656715100 566156752 /nfs/dbraw/zinc/15/67/52/566156752.db2.gz YLJJVKYKGZQRJN-QGZVFWFLSA-N 1 0 389.945 2.555 20 0 GFADRO O=C(Cc1ccc(Br)c(Cl)c1)NCCC[NH+]1CCC(O)CC1 ZINC000682505763 566158913 /nfs/dbraw/zinc/15/89/13/566158913.db2.gz XGCJYLPZXXSXDF-UHFFFAOYSA-N 1 0 389.721 2.608 20 0 GFADRO O=C(NC1CC[NH+](C[C@H](O)COc2cc(Cl)cc(Cl)c2)CC1)C1CC1 ZINC000634642445 566162180 /nfs/dbraw/zinc/16/21/80/566162180.db2.gz KNYYYSFBCOQIFI-INIZCTEOSA-N 1 0 387.307 2.724 20 0 GFADRO C[NH+](C)CCCNC(=O)N[C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O ZINC000682696772 566168471 /nfs/dbraw/zinc/16/84/71/566168471.db2.gz LHPLIMHPRHUORT-CQSZACIVSA-N 1 0 387.311 2.740 20 0 GFADRO Brc1ccc(CN[C@@H]2CC[N@H+](CC3CC3)C2)c(N2CCOCC2)c1 ZINC000682730482 566170197 /nfs/dbraw/zinc/17/01/97/566170197.db2.gz FIEUCOGBWJDWPP-GOSISDBHSA-N 1 0 394.357 2.860 20 0 GFADRO O[C@@H](C[NH2+]CC1(c2ccc(Br)cc2)CCC1)CC1(O)CCOCC1 ZINC000634701552 566170880 /nfs/dbraw/zinc/17/08/80/566170880.db2.gz RJDRZLJLEAIUQW-QGZVFWFLSA-N 1 0 398.341 2.753 20 0 GFADRO C[C@](O)(C[C@H](O)C[NH2+]CCc1c[nH]c2cccc(Br)c12)C1CC1 ZINC000634714910 566171679 /nfs/dbraw/zinc/17/16/79/566171679.db2.gz UGTNPNJURVGSAE-KSSFIOAISA-N 1 0 381.314 2.975 20 0 GFADRO CC(=O)N1CCC[C@H](C[NH2+]C[C@H](O)COc2cc(Cl)cc(Cl)c2)C1 ZINC000634713085 566172389 /nfs/dbraw/zinc/17/23/89/566172389.db2.gz QCBDTVPOMMQBGK-CJNGLKHVSA-N 1 0 375.296 2.581 20 0 GFADRO C[C@@H]([NH2+]C[C@@H](O)CC1(O)CCOCC1)c1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC000634727392 566172760 /nfs/dbraw/zinc/17/27/60/566172760.db2.gz SPQNQTWWYXGNNF-MNOVXSKESA-N 1 0 388.295 2.813 20 0 GFADRO O[C@H](C[NH2+]Cc1ccnc(N2CCSCC2)c1)Cc1cccc(Cl)c1 ZINC000634728343 566172879 /nfs/dbraw/zinc/17/28/79/566172879.db2.gz XKFFPVCRZCNYHH-SFHVURJKSA-N 1 0 377.941 2.981 20 0 GFADRO O[C@@H](C[NH2+]CC/C=C/c1ccc(Br)cc1)CC1(O)CCOCC1 ZINC000634722191 566173764 /nfs/dbraw/zinc/17/37/64/566173764.db2.gz LDTVJWQGUOLNMS-XKKXFUJGSA-N 1 0 384.314 2.735 20 0 GFADRO C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)[C@@H]1CCOc3ccc(Br)cc31)C2 ZINC000634742037 566174530 /nfs/dbraw/zinc/17/45/30/566174530.db2.gz XSMWIENWBPQERF-XWIAVFTESA-N 1 0 379.298 2.773 20 0 GFADRO CC1(C)C[NH2+]CC[C@@H](NC(=O)Cc2cc3c(cc2Br)OCCO3)C1 ZINC000634762208 566175053 /nfs/dbraw/zinc/17/50/53/566175053.db2.gz ROAFWRZVSPGCSS-CYBMUJFWSA-N 1 0 397.313 2.657 20 0 GFADRO O=S(=O)(c1cc(Cl)cc(Br)c1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000656892402 566176349 /nfs/dbraw/zinc/17/63/49/566176349.db2.gz CHRFRQGEKUNEMG-ZDUSSCGKSA-N 1 0 393.734 2.961 20 0 GFADRO O=S(=O)(Cc1cc(F)ccc1Br)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000656892730 566176574 /nfs/dbraw/zinc/17/65/74/566176574.db2.gz GOUUTZUIEDBKHS-CQSZACIVSA-N 1 0 391.306 2.588 20 0 GFADRO O=C(N[C@H]1CC12CC[NH2+]CC2)NC1(Cc2ccccc2Br)CC1 ZINC000612983145 566181550 /nfs/dbraw/zinc/18/15/50/566181550.db2.gz NBPZUUAQWZBIKE-HNNXBMFYSA-N 1 0 378.314 2.966 20 0 GFADRO CC(C)(CNC(=O)CS(=O)(=O)Cc1ccc(Cl)s1)C[NH+]1CCCC1 ZINC000683084635 566183246 /nfs/dbraw/zinc/18/32/46/566183246.db2.gz JENZCYULJCXYDS-UHFFFAOYSA-N 1 0 392.974 2.555 20 0 GFADRO CC[N@H+](CCNC(=O)N1C[C@H](C(F)(F)F)O[C@@H](C)C1)CCC(F)(F)F ZINC000683157768 566185608 /nfs/dbraw/zinc/18/56/08/566185608.db2.gz QZKJMBGOTWBTAQ-WDEREUQCSA-N 1 0 379.345 2.622 20 0 GFADRO O=S1(=O)CCC[C@H]([NH2+][C@H]2CCN(c3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000634962164 566186137 /nfs/dbraw/zinc/18/61/37/566186137.db2.gz MSWSFOKMFZXWLH-GJZGRUSLSA-N 1 0 376.444 2.841 20 0 GFADRO Cc1cc(NC(=O)C(=O)N[C@H](C)C2CC[NH+](C)CC2)cc(C)c1Br ZINC000683165654 566186571 /nfs/dbraw/zinc/18/65/71/566186571.db2.gz PSWFFTMBDWOLBZ-CYBMUJFWSA-N 1 0 396.329 2.851 20 0 GFADRO C[N@H+](CCCNC(=O)C1CCC1)Cc1cn2cc(Br)ccc2n1 ZINC000683228291 566189683 /nfs/dbraw/zinc/18/96/83/566189683.db2.gz YKFNSJJSWXCUDI-UHFFFAOYSA-N 1 0 379.302 2.835 20 0 GFADRO C[NH+](C)CCOc1cccc(CNC(=O)C(=O)Nc2cscc2Cl)c1 ZINC000635037557 566190618 /nfs/dbraw/zinc/19/06/18/566190618.db2.gz RNOUJTIXHFUHQX-UHFFFAOYSA-N 1 0 381.885 2.597 20 0 GFADRO C[NH+](C)CC1CCN(S(=O)(=O)Cc2cc(F)ccc2Br)CC1 ZINC000656947006 566191211 /nfs/dbraw/zinc/19/12/11/566191211.db2.gz FEPPFPLJDQBXEK-UHFFFAOYSA-N 1 0 393.322 2.692 20 0 GFADRO C[N@@H+]1CC[C@@H]2CCN(S(=O)(=O)c3cc(Cl)cc(Br)c3)[C@@H]2C1 ZINC000656953295 566191958 /nfs/dbraw/zinc/19/19/58/566191958.db2.gz JVUPMBBCNSHZFT-QMTHXVAHSA-N 1 0 393.734 2.817 20 0 GFADRO CN1C(=O)N([C@@H]2CC[N@H+](CC3CC3)C2)C(=O)[C@H]1c1cccc(Br)c1 ZINC000683287431 566192256 /nfs/dbraw/zinc/19/22/56/566192256.db2.gz SGIOJGCUVXDIAP-HZPDHXFCSA-N 1 0 392.297 2.869 20 0 GFADRO C[C@H](NS(=O)(=O)c1ncccc1Br)[C@H](c1ccccc1)[NH+](C)C ZINC000656961042 566194563 /nfs/dbraw/zinc/19/45/63/566194563.db2.gz FHMLMHWDWVZMNP-SWLSCSKDSA-N 1 0 398.326 2.814 20 0 GFADRO Cc1c(F)c(Br)ccc1C(=O)N[C@@H](C)CC[NH+]1CCN(C)CC1 ZINC000613602088 566203831 /nfs/dbraw/zinc/20/38/31/566203831.db2.gz GVGLUEOZTVITOF-LBPRGKRZSA-N 1 0 386.309 2.652 20 0 GFADRO C[N@@H+]1CCCC[C@H]1C(=O)NCc1cnn(-c2ccc(Br)cc2)c1 ZINC000683647771 566207656 /nfs/dbraw/zinc/20/76/56/566207656.db2.gz CZOMXBPDYSNFFO-INIZCTEOSA-N 1 0 377.286 2.735 20 0 GFADRO C[C@H]1COCCN1C1CCN(S(=O)(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000657028014 566207987 /nfs/dbraw/zinc/20/79/87/566207987.db2.gz QIVIEWJFZAESSQ-LBPRGKRZSA-N 1 0 393.336 2.867 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)C1(C[NH+](C)C)CC1 ZINC000635473650 566215766 /nfs/dbraw/zinc/21/57/66/566215766.db2.gz GODSKXVVMIIOCO-UHFFFAOYSA-N 1 0 382.302 2.544 20 0 GFADRO C[C@H](Oc1cc(Cl)cc(Cl)c1)C(=O)N1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000683913648 566218956 /nfs/dbraw/zinc/21/89/56/566218956.db2.gz ZCUYXRPKMCKMLC-YVEFUNNKSA-N 1 0 375.296 2.676 20 0 GFADRO C[C@@H](C(=O)N1CCC[C@@](O)(C[NH+](C)C)C1)c1ccc(Br)s1 ZINC000683911814 566219061 /nfs/dbraw/zinc/21/90/61/566219061.db2.gz IABKVFFCLSJNAY-IAQYHMDHSA-N 1 0 375.332 2.529 20 0 GFADRO Cc1nc(CS(=O)(=O)N2c3ccc(C)cc3[C@H]3C[N@H+](C)CC[C@@H]32)cs1 ZINC000684094132 566226244 /nfs/dbraw/zinc/22/62/44/566226244.db2.gz BOMGGVITJLLHSW-AEFFLSMTSA-N 1 0 377.535 2.898 20 0 GFADRO C[NH+](C)C[C@]1(O)CCCN(C(=O)c2csc(-c3cccc(Cl)c3)n2)C1 ZINC000684176032 566229652 /nfs/dbraw/zinc/22/96/52/566229652.db2.gz RUPZWFKGYUBYTP-GOSISDBHSA-N 1 0 379.913 2.992 20 0 GFADRO Brc1ccc(-n2cc(C[NH2+]C[C@H]3CNc4ccnn4C3)cn2)cc1 ZINC000684200806 566229905 /nfs/dbraw/zinc/22/99/05/566229905.db2.gz SYBSPYXWALCLGS-ZDUSSCGKSA-N 1 0 387.285 2.663 20 0 GFADRO C[C@@H](NCC[N@@H+]1CC[C@@H](C)C1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000684553123 566237964 /nfs/dbraw/zinc/23/79/64/566237964.db2.gz DNSRXUUCRBWMAP-GHMZBOCLSA-N 1 0 380.341 2.633 20 0 GFADRO CN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)c1oc2ccccc2c1C[NH+](C)C ZINC000736771425 598894619 /nfs/dbraw/zinc/89/46/19/598894619.db2.gz LCVTXFCGPDRBKT-UHFFFAOYSA-N 1 0 390.447 2.947 20 0 GFADRO C[NH+](C)CCn1ccc2ccc(NC(=O)c3ccc(-c4nn[nH]n4)cc3)cc21 ZINC000736772135 598924005 /nfs/dbraw/zinc/92/40/05/598924005.db2.gz XQGWZDHIYHKHRZ-UHFFFAOYSA-N 1 0 375.436 2.635 20 0 GFADRO COc1ccc([C@H](C)[N@H+](C)CCOc2ccc(-c3nn[nH]n3)cc2OC)cc1 ZINC000737074186 598981744 /nfs/dbraw/zinc/98/17/44/598981744.db2.gz VYTNRLZSRWMCJE-AWEZNQCLSA-N 1 0 383.452 2.956 20 0 GFADRO COc1ccc([C@H]2[C@H](COC(=O)c3sccc3-c3nn[nH]n3)CC[N@@H+]2C)cc1 ZINC000737073949 599028506 /nfs/dbraw/zinc/02/85/06/599028506.db2.gz CUGMAXKKICBFGA-BBRMVZONSA-N 1 0 399.476 2.787 20 0 GFADRO NC(=O)[C@H](c1ccc(-c2nn[nH]n2)cc1)[N@@H+]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000737737548 599077864 /nfs/dbraw/zinc/07/78/64/599077864.db2.gz ADRCBMDFTNNAFI-RDJZCZTQSA-N 1 0 382.855 2.536 20 0 GFADRO C[C@H](NC(=O)NCc1ccc(F)c(C[NH+](C)C)c1)c1ccc(-c2nn[nH]n2)cc1 ZINC000736118680 599105985 /nfs/dbraw/zinc/10/59/85/599105985.db2.gz OACFSNZHPDJZTP-ZDUSSCGKSA-N 1 0 397.458 2.628 20 0 GFADRO Cc1ccc([C@H]2CCCC[N@@H+]2C[C@@H](O)COc2ccc(-c3nn[nH]n3)cc2)o1 ZINC000737328333 599139213 /nfs/dbraw/zinc/13/92/13/599139213.db2.gz GEEBGKQGORCXBU-SJLPKXTDSA-N 1 0 383.452 2.735 20 0 GFADRO CC[C@H](Cc1ccccc1)[N@H+](C)C[C@@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000736352048 599145391 /nfs/dbraw/zinc/14/53/91/599145391.db2.gz RSLSFVHULAESDQ-RTBURBONSA-N 1 0 381.480 2.560 20 0 GFADRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736204049 599162461 /nfs/dbraw/zinc/16/24/61/599162461.db2.gz PNVMUSSWRCBKOO-MRXNPFEDSA-N 1 0 390.491 2.751 20 0 GFADRO COc1cc(C[N@H+](C)CC(C)(C)O)ccc1OCc1cccc(-c2nn[nH]n2)c1 ZINC000737045340 599208194 /nfs/dbraw/zinc/20/81/94/599208194.db2.gz IOISUTFTMYAGFV-UHFFFAOYSA-N 1 0 397.479 2.657 20 0 GFADRO C[C@H](CCSc1ccccc1)[NH+]1CCN(c2ncccc2-c2nn[nH]n2)CC1 ZINC000820248930 607264301 /nfs/dbraw/zinc/26/43/01/607264301.db2.gz PIIMYHCKFTZDAY-MRXNPFEDSA-N 1 0 395.536 2.955 20 0 GFADRO CC[NH+](CC)C[C@H]1CCN(C(=S)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)C1 ZINC000821189772 599228155 /nfs/dbraw/zinc/22/81/55/599228155.db2.gz SQESINGXFKFXSD-GFCCVEGCSA-N 1 0 393.948 2.881 20 0 GFADRO Cc1c(NC(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2)cccc1-c1nn[nH]n1 ZINC000822077782 607282957 /nfs/dbraw/zinc/28/29/57/607282957.db2.gz XPTOGYDYDCVOOX-UHFFFAOYSA-N 1 0 397.458 2.910 20 0 GFADRO Cc1cc(C)c2ncc(-c3nn[nH]n3)c(NC[C@@H](c3ccco3)[NH+](C)C)c2c1 ZINC000737248679 599255599 /nfs/dbraw/zinc/25/55/99/599255599.db2.gz JYIXGPASDYQGMP-INIZCTEOSA-N 1 0 377.452 2.761 20 0 GFADRO c1ccc(CC[NH+]2CCN(c3cc(-c4nn[nH]n4)nc4ccccc43)CC2)cc1 ZINC000738426745 599263296 /nfs/dbraw/zinc/26/32/96/599263296.db2.gz GNWFHWUKBGVUKI-UHFFFAOYSA-N 1 0 385.475 2.780 20 0 GFADRO Fc1cccc(Sc2nnc([C@@H]3CCC[NH2+]C3)n2C2CC2)c1-c1nn[nH]n1 ZINC000737662667 599267783 /nfs/dbraw/zinc/26/77/83/599267783.db2.gz CRYHTVOISWVKNG-SNVBAGLBSA-N 1 0 386.460 2.550 20 0 GFADRO Cc1cc2ncn(C[NH+]3CCN(c4ccccc4-c4nn[nH]n4)CC3)c2cc1C ZINC000737285415 598234454 /nfs/dbraw/zinc/23/44/54/598234454.db2.gz RJMBXTDABPTKNS-UHFFFAOYSA-N 1 0 388.479 2.613 20 0 GFADRO Cc1ccccc1[C@@H]1CC[N@H+](CCC(=O)Nc2cccc(-c3nn[nH]n3)c2)C1 ZINC000737420812 598255392 /nfs/dbraw/zinc/25/53/92/598255392.db2.gz HGUKGEFQBAJSJU-QGZVFWFLSA-N 1 0 376.464 2.993 20 0 GFADRO Clc1cc(NCCN2CC[NH+](Cc3ccccc3)CC2)ccc1-c1nn[nH]n1 ZINC000737566655 598275530 /nfs/dbraw/zinc/27/55/30/598275530.db2.gz WJMGCUYHEVJCAM-UHFFFAOYSA-N 1 0 397.914 2.750 20 0 GFADRO CC(C)(C)n1cc(-c2nn[nH]n2)cc1NC(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000735660577 598280630 /nfs/dbraw/zinc/28/06/30/598280630.db2.gz MXQXBSUQAILLKC-OAHLLOKOSA-N 1 0 386.504 2.515 20 0 GFADRO c1ccc(-c2noc(C3CC[NH+](Cc4ccc(-c5nn[nH]n5)cc4)CC3)n2)nc1 ZINC000738427469 598361724 /nfs/dbraw/zinc/36/17/24/598361724.db2.gz WNSVTTGUGOZYKI-UHFFFAOYSA-N 1 0 388.435 2.691 20 0 GFADRO O[C@@H](COc1ccc(-c2nn[nH]n2)cc1)C[N@@H+]1CCC[C@H](Cc2ccccc2)C1 ZINC000738383264 598373401 /nfs/dbraw/zinc/37/34/01/598373401.db2.gz ACBLOKXPDOOTIY-UYAOXDASSA-N 1 0 393.491 2.561 20 0 GFADRO CC(C)(C)n1cc(-c2nn[nH]n2)cc1NC(=O)NCCC[NH2+]C1CCCCC1 ZINC000735662044 598375201 /nfs/dbraw/zinc/37/52/01/598375201.db2.gz ZKBGRASEQZPBNG-UHFFFAOYSA-N 1 0 388.520 2.857 20 0 GFADRO O[C@H](c1ccccc1)[C@H]1CCCC[N@@H+]1CCOc1ccccc1-c1nn[nH]n1 ZINC000738387266 598396597 /nfs/dbraw/zinc/39/65/97/598396597.db2.gz OZMVDVKYZUPBMK-UYAOXDASSA-N 1 0 379.464 2.834 20 0 GFADRO C[C@H](NC(=O)OC(C)(C)C)C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736115290 598405588 /nfs/dbraw/zinc/40/55/88/598405588.db2.gz HAAIJFOOCRPCLK-AWEZNQCLSA-N 1 0 386.500 2.992 20 0 GFADRO Cc1ccccc1C1CC[NH+](CC(=O)NCc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000737420273 598406142 /nfs/dbraw/zinc/40/61/42/598406142.db2.gz FFUOQYMLTILAHA-UHFFFAOYSA-N 1 0 390.491 2.671 20 0 GFADRO CN(C(=O)c1sccc1-c1nn[nH]n1)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000821574688 607354318 /nfs/dbraw/zinc/35/43/18/607354318.db2.gz SBJXDIDPXPIYQU-UHFFFAOYSA-N 1 0 398.492 2.679 20 0 GFADRO COc1ccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2cccc(-c3nn[nH]n3)c2)cc1F ZINC000737073904 598453636 /nfs/dbraw/zinc/45/36/36/598453636.db2.gz VEOMUAKHBSKWQS-NWDGAFQWSA-N 1 0 384.415 2.692 20 0 GFADRO CCC[NH+]1CCC(CNC(=O)N(Cc2ccc(-c3nn[nH]n3)cc2)C2CC2)CC1 ZINC000736479832 598480097 /nfs/dbraw/zinc/48/00/97/598480097.db2.gz JAIPMVVRMWTMHF-UHFFFAOYSA-N 1 0 397.527 2.663 20 0 GFADRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)N(Cc1ccc(-c2nn[nH]n2)cc1)C1CC1 ZINC000736252156 598482815 /nfs/dbraw/zinc/48/28/15/598482815.db2.gz PRFTVMVBMIHCOD-IYBDPMFKSA-N 1 0 397.527 2.804 20 0 GFADRO O=C(N[C@@H](C[NH+]1CCCCC1)c1ccccc1)c1sccc1-c1nn[nH]n1 ZINC000737996828 598496347 /nfs/dbraw/zinc/49/63/47/598496347.db2.gz QWIDBWDGNHZONE-INIZCTEOSA-N 1 0 382.493 2.885 20 0 GFADRO O=C(N[C@H](C[NH+]1CCCCC1)c1ccccc1)c1sccc1-c1nn[nH]n1 ZINC000737996832 598496468 /nfs/dbraw/zinc/49/64/68/598496468.db2.gz QWIDBWDGNHZONE-MRXNPFEDSA-N 1 0 382.493 2.885 20 0 GFADRO O=C(N[C@@H](C[NH+]1CCCCC1)c1ccccc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000737995471 598496518 /nfs/dbraw/zinc/49/65/18/598496518.db2.gz LLERCAGAVJJEIA-IBGZPJMESA-N 1 0 376.464 2.824 20 0 GFADRO CC(C)([NH2+]C[C@@H](O)COc1ccc(-c2nn[nH]n2)cc1)c1ccc(Cl)cc1 ZINC000735678680 598508760 /nfs/dbraw/zinc/50/87/60/598508760.db2.gz UTJSIYHQKNDLGJ-MRXNPFEDSA-N 1 0 387.871 2.785 20 0 GFADRO Fc1ccc([C@@H]([NH2+]C[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)C2CCCC2)cc1 ZINC000737652531 598527990 /nfs/dbraw/zinc/52/79/90/598527990.db2.gz UVWKRFREWPWXMR-UGSOOPFHSA-N 1 0 396.474 2.765 20 0 GFADRO Cc1cccc(C2(C[NH2+]C[C@H]3CNc4c(-c5nn[nH]n5)cnn4C3)CCCC2)c1 ZINC000737389295 598529549 /nfs/dbraw/zinc/52/95/49/598529549.db2.gz KRZGIPJAYSEONC-INIZCTEOSA-N 1 0 392.511 2.515 20 0 GFADRO C[NH+](C)[C@H]1CCN(C(=O)Nc2ccc(Oc3ccccc3-c3nn[nH]n3)cc2)C1 ZINC000736757438 598623070 /nfs/dbraw/zinc/62/30/70/598623070.db2.gz SSVAGLIIRJTOEK-HNNXBMFYSA-N 1 0 393.451 2.827 20 0 GFADRO O=C(Nc1ccc(F)c(-c2nn[nH]n2)c1)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000738168407 598633061 /nfs/dbraw/zinc/63/30/61/598633061.db2.gz ZYYSXMPDKZCRNJ-INIZCTEOSA-N 1 0 395.442 2.792 20 0 GFADRO O=C(NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1sccc1-c1nn[nH]n1 ZINC000738022216 598668557 /nfs/dbraw/zinc/66/85/57/598668557.db2.gz SABNWZVIAAGCHM-MQVJKMGUSA-N 1 0 394.504 2.854 20 0 GFADRO O=C(CCCCOc1cccc(-c2nn[nH]n2)c1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000737832217 598690654 /nfs/dbraw/zinc/69/06/54/598690654.db2.gz GMNNPFSDBNFKGX-GOSISDBHSA-N 1 0 398.511 2.503 20 0 GFADRO Cc1ccc(-c2nn[nH]n2)cc1NC(=O)NC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000737294887 598730231 /nfs/dbraw/zinc/73/02/31/598730231.db2.gz RZVMCTSTABUPNR-OAHLLOKOSA-N 1 0 379.468 2.817 20 0 GFADRO C[C@@H](Cc1ccccc1)C(=O)N(CC[NH+](C)C)Cc1cccc(-c2nn[nH]n2)c1 ZINC000736059448 598742148 /nfs/dbraw/zinc/74/21/48/598742148.db2.gz SLTFXNDHJYTQNJ-KRWDZBQOSA-N 1 0 392.507 2.636 20 0 GFADRO C[C@](O)(C[NH2+]Cc1cccc(OCc2ccccc2-c2nn[nH]n2)c1)C1CC1 ZINC000736144019 598757143 /nfs/dbraw/zinc/75/71/43/598757143.db2.gz XFXNVVAAAXWIEZ-NRFANRHFSA-N 1 0 379.464 2.696 20 0 GFADRO CCCC[N@H+](C)CCNC(=O)c1occc1COc1cccc(-c2nn[nH]n2)c1 ZINC000736454402 598767705 /nfs/dbraw/zinc/76/77/05/598767705.db2.gz XNPVYTBJCZYZAA-UHFFFAOYSA-N 1 0 398.467 2.500 20 0 GFADRO O=C(Nc1ccc(-c2nn[nH]n2)c(C(F)(F)F)c1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000823303475 599293081 /nfs/dbraw/zinc/29/30/81/599293081.db2.gz JPHIKVWFUZFXKG-LBPRGKRZSA-N 1 0 395.389 2.588 20 0 GFADRO C[C@@H]1[C@H](C)SCC[N@@H+]1CCC(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2 ZINC000736301518 599322224 /nfs/dbraw/zinc/32/22/24/599322224.db2.gz OCUVDLPDXGBMOP-MNOVXSKESA-N 1 0 392.554 2.571 20 0 GFADRO CC(C)[C@H](CO)[N@H+](CCOc1ccccc1-c1nn[nH]n1)Cc1ccccc1 ZINC000735708882 599354929 /nfs/dbraw/zinc/35/49/29/599354929.db2.gz JKMMGGYCWSSHKF-IBGZPJMESA-N 1 0 381.480 2.765 20 0 GFADRO O=C(CSCc1ccc(-c2nn[nH]n2)cc1)NCCC[NH2+]C1CCCCC1 ZINC000737931550 599366219 /nfs/dbraw/zinc/36/62/19/599366219.db2.gz HWEWPLGFUAKKIG-UHFFFAOYSA-N 1 0 388.541 2.529 20 0 GFADRO CC(C)(C)[NH2+]CCNC(=O)c1cccc(COc2ccccc2-c2nn[nH]n2)c1 ZINC000819922761 599381487 /nfs/dbraw/zinc/38/14/87/599381487.db2.gz OSEBSYKZPQFWSW-UHFFFAOYSA-N 1 0 394.479 2.564 20 0 GFADRO COc1ccc(C[NH2+][C@H](C)c2ccc(-n3cccn3)cc2)cc1-c1nn[nH]n1 ZINC000821804053 599397254 /nfs/dbraw/zinc/39/72/54/599397254.db2.gz JCMIBVOPIDVNCT-CQSZACIVSA-N 1 0 375.436 2.912 20 0 GFADRO C[C@@H]1C[N@H+](C(C)(C)CNc2cc(-c3nn[nH]n3)c3ccccc3n2)C[C@H](C)O1 ZINC000736292983 599401755 /nfs/dbraw/zinc/40/17/55/599401755.db2.gz SJKXAMJTUHIGKT-OKILXGFUSA-N 1 0 381.484 2.715 20 0 GFADRO COc1ccc(C[NH2+]Cc2ccc(NC(=O)NC(C)C)cc2)cc1-c1nn[nH]n1 ZINC000821818642 599409348 /nfs/dbraw/zinc/40/93/48/599409348.db2.gz WDGIKBMWBZXSSB-UHFFFAOYSA-N 1 0 395.467 2.695 20 0 GFADRO Brc1ccccc1N1CC[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)o2)C1 ZINC000819688053 599435372 /nfs/dbraw/zinc/43/53/72/599435372.db2.gz CJCGKKKXCDXIGF-LLVKDONJSA-N 1 0 389.257 2.591 20 0 GFADRO COc1ccc(C[NH2+]C[C@H]2CCCN2Cc2ccccc2)cc1-c1nn[nH]n1 ZINC000821809393 599439235 /nfs/dbraw/zinc/43/92/35/599439235.db2.gz NNTGKXWBCUZXBJ-GOSISDBHSA-N 1 0 378.480 2.630 20 0 GFADRO COc1ccc(C[NH2+][C@@H]2CCCN(c3cccc(F)c3)C2)cc1-c1nn[nH]n1 ZINC000821804627 599442829 /nfs/dbraw/zinc/44/28/29/599442829.db2.gz ORGLSOCHOCADAF-MRXNPFEDSA-N 1 0 382.443 2.773 20 0 GFADRO Brc1ccc(C[NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)s1 ZINC000735369826 599481553 /nfs/dbraw/zinc/48/15/53/599481553.db2.gz XPXXTUTUWGHCKD-UHFFFAOYSA-N 1 0 390.270 2.628 20 0 GFADRO Cc1cccc2c1ncc(-c1nn[nH]n1)c2NC[C@H](c1ccc(F)cc1)[NH+](C)C ZINC000822334429 599486242 /nfs/dbraw/zinc/48/62/42/599486242.db2.gz CWZDUFBGHMTFCY-GOSISDBHSA-N 1 0 391.454 2.999 20 0 GFADRO FC(F)(F)c1ccccc1CC[NH2+]Cc1cnc2ccc(-c3nn[nH]n3)cn12 ZINC000737636510 599487736 /nfs/dbraw/zinc/48/77/36/599487736.db2.gz VGQPRBIAUGYPOE-UHFFFAOYSA-N 1 0 387.369 2.866 20 0 GFADRO C[C@@H](NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1cccc(-c2nn[nH]n2)c1 ZINC000820321795 599506487 /nfs/dbraw/zinc/50/64/87/599506487.db2.gz MOIMZHMRPNFCTQ-UZLBHIALSA-N 1 0 390.491 2.956 20 0 GFADRO C[C@H](C(=O)N(CC[NH+](C)C)Cc1ccc(-c2nn[nH]n2)cc1)c1cccs1 ZINC000735511168 599541389 /nfs/dbraw/zinc/54/13/89/599541389.db2.gz DYVJHZPUXXMAMX-AWEZNQCLSA-N 1 0 384.509 2.622 20 0 GFADRO C[C@H](C(=O)N(CC[NH+](C)C)Cc1cccc(-c2nn[nH]n2)c1)c1cccs1 ZINC000735510615 599545824 /nfs/dbraw/zinc/54/58/24/599545824.db2.gz CDBYUMSUQCSCLY-AWEZNQCLSA-N 1 0 384.509 2.622 20 0 GFADRO C[C@@H](C(=O)N(CC[NH+](C)C)Cc1cccc(-c2nn[nH]n2)c1)c1cccs1 ZINC000735510616 599546073 /nfs/dbraw/zinc/54/60/73/599546073.db2.gz CDBYUMSUQCSCLY-CQSZACIVSA-N 1 0 384.509 2.622 20 0 GFADRO Cc1ccc(NC(=O)CCc2ccc(-c3nn[nH]n3)cc2)c(OCC[NH+](C)C)c1 ZINC000737356998 599558164 /nfs/dbraw/zinc/55/81/64/599558164.db2.gz UXAYDPGDNCEYEW-UHFFFAOYSA-N 1 0 394.479 2.687 20 0 GFADRO C[NH+](C)C(C)(C)CNC(=O)c1cccc(Nc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000736758284 599563066 /nfs/dbraw/zinc/56/30/66/599563066.db2.gz FQRDLPLGKCJSLW-UHFFFAOYSA-N 1 0 379.468 2.680 20 0 GFADRO C[N@H+](CCc1ccc(F)cc1)Cc1nnc(-c2ccc(-c3nn[nH]n3)cc2)o1 ZINC000821604683 599567422 /nfs/dbraw/zinc/56/74/22/599567422.db2.gz AQZDUBVNDOHVBK-UHFFFAOYSA-N 1 0 379.399 2.730 20 0 GFADRO CC(C)[C@H](C[NH+](C)C)NC(=O)c1cccc(Nc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000735709102 599568946 /nfs/dbraw/zinc/56/89/46/599568946.db2.gz OTFQTZGEVWWIGW-IBGZPJMESA-N 1 0 393.495 2.926 20 0 GFADRO C[N@H+](Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)o1)[C@@H]1CCc2ccccc2C1 ZINC000821618167 599576681 /nfs/dbraw/zinc/57/66/81/599576681.db2.gz TXQXCAPCGGWJFN-GOSISDBHSA-N 1 0 387.447 2.906 20 0 GFADRO c1ccc(COC[C@H]2CC[N@@H+](CCOc3cccc(-c4nn[nH]n4)c3)C2)cc1 ZINC000823787313 599583933 /nfs/dbraw/zinc/58/39/33/599583933.db2.gz LEQXYWGWLWJNOT-SFHVURJKSA-N 1 0 379.464 2.784 20 0 GFADRO Cc1ccccc1[C@H]1C[C@@H](C)[N@@H+](CC(=O)NCc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000737423485 599584891 /nfs/dbraw/zinc/58/48/91/599584891.db2.gz VHLWDABVVXEIKZ-APWZRJJASA-N 1 0 390.491 2.669 20 0 GFADRO CCc1ccc(C[NH+]2CCN(Cc3ccc(F)cc3-c3nn[nH]n3)CC2)s1 ZINC000736690685 599589008 /nfs/dbraw/zinc/58/90/08/599589008.db2.gz MHHZGTAFVHZQLA-UHFFFAOYSA-N 1 0 386.500 2.948 20 0 GFADRO CC[N@H+](CCOc1ccc(-c2nn[nH]n2)cc1OC)C[C@H](O)c1ccc(C)cc1 ZINC000821214763 599590054 /nfs/dbraw/zinc/59/00/54/599590054.db2.gz LDJRXFKBKMJFJI-SFHVURJKSA-N 1 0 397.479 2.618 20 0 GFADRO CC[N@H+](CCCOc1ccc(-c2nn[nH]n2)cc1)C[C@@H](O)c1ccc(C)cc1 ZINC000821216003 599590777 /nfs/dbraw/zinc/59/07/77/599590777.db2.gz YUFVKKTYCQTZQV-HXUWFJFHSA-N 1 0 381.480 3.000 20 0 GFADRO C[C@@H](NC(=O)N1CCC[N@@H+](C2CCCC2)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000736110368 599608821 /nfs/dbraw/zinc/60/88/21/599608821.db2.gz AYGUEOXLLYRXQJ-OAHLLOKOSA-N 1 0 383.500 2.588 20 0 GFADRO COC(=O)[C@H]1CCC[N@H+](Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)C1 ZINC000736907758 599642066 /nfs/dbraw/zinc/64/20/66/599642066.db2.gz DCRFECCKTJGYSW-KRWDZBQOSA-N 1 0 377.448 2.919 20 0 GFADRO C[C@@H]1C[N@@H+](CCC(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)C[C@H](C)S1 ZINC000820753292 599642331 /nfs/dbraw/zinc/64/23/31/599642331.db2.gz XTDCXBNVCHCBOM-PHIMTYICSA-N 1 0 380.905 2.675 20 0 GFADRO CC(C)[C@H]1C[N@H+](CCC(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)CCS1 ZINC000820043950 599643753 /nfs/dbraw/zinc/64/37/53/599643753.db2.gz DIDISYOKRQVVDZ-OAHLLOKOSA-N 1 0 394.932 2.922 20 0 GFADRO Clc1cscc1C[NH2+]C1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1 ZINC000822591453 607389811 /nfs/dbraw/zinc/38/98/11/607389811.db2.gz SJSHFKFFANENKT-UHFFFAOYSA-N 1 0 375.889 2.735 20 0 GFADRO CC(C)Oc1ccc(NC(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1-c1nn[nH]n1 ZINC000820166325 607434800 /nfs/dbraw/zinc/43/48/00/607434800.db2.gz VTRIJWGOABLALS-ZFWWWQNUSA-N 1 0 387.488 2.600 20 0 GFADRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)NC1(c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000825285011 607455158 /nfs/dbraw/zinc/45/51/58/607455158.db2.gz GHGNWACSTYGICV-GOSISDBHSA-N 1 0 397.527 2.810 20 0 GFADRO O=C([O-])c1ccc(OCC[NH+]2CCC(OCC[NH+]3CCCC3)CC2)c(Cl)c1 ZINC000833321009 600801959 /nfs/dbraw/zinc/80/19/59/600801959.db2.gz FACIFHIVXWDGSR-UHFFFAOYSA-N 1 0 396.915 2.994 20 0 GFADRO c1ccc2c(c1)nc(-c1nn[nH]n1)cc2N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000823792221 607473103 /nfs/dbraw/zinc/47/31/03/607473103.db2.gz QAFBJEAZKPCHRY-LIRRHRJNSA-N 1 0 375.480 2.868 20 0 GFADRO COc1ccccc1N1CCC([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)CC1 ZINC000821896785 607477177 /nfs/dbraw/zinc/47/71/77/607477177.db2.gz BHQQSGWPTBPTBE-UHFFFAOYSA-N 1 0 382.443 2.773 20 0 GFADRO O[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)COc1cccc2ccccc21 ZINC000823682395 607478490 /nfs/dbraw/zinc/47/84/90/607478490.db2.gz POQLMINKRLPBPB-KRWDZBQOSA-N 1 0 393.422 2.689 20 0 GFADRO O=C(C[C@@H]1CCC[N@H+]1C[C@H](O)c1ccc(-c2nn[nH]n2)cc1)c1ccc(F)cc1 ZINC000826404994 607478527 /nfs/dbraw/zinc/47/85/27/607478527.db2.gz SBUPNTHECTXCFR-ICSRJNTNSA-N 1 0 395.438 2.777 20 0 GFADRO O[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)c1cccc(Br)c1 ZINC000823682581 607489971 /nfs/dbraw/zinc/48/99/71/607489971.db2.gz RQDVLQKXBXSKPS-HNNXBMFYSA-N 1 0 392.232 2.592 20 0 GFADRO CC[N@H+](Cc1ccc(OC)c(-c2nn[nH]n2)c1)[C@H]1CCN(c2ccccc2)C1=O ZINC000825435251 607501015 /nfs/dbraw/zinc/50/10/15/607501015.db2.gz RFRWYKUYEXEHGL-SFHVURJKSA-N 1 0 392.463 2.503 20 0 GFADRO COc1ccc(CN2CC[C@H](C)[N@H+](Cc3ccccc3)CC2)cc1-c1nn[nH]n1 ZINC000826193611 607509081 /nfs/dbraw/zinc/50/90/81/607509081.db2.gz JBLMMXIAUUNDGT-KRWDZBQOSA-N 1 0 392.507 2.972 20 0 GFADRO COc1ccc(C[N@H+](C)[C@H]2CCCN(c3ccccc3)C2)cc1-c1nn[nH]n1 ZINC000826192238 607510451 /nfs/dbraw/zinc/51/04/51/607510451.db2.gz FUOWOGVGHXAGRO-SFHVURJKSA-N 1 0 378.480 2.976 20 0 GFADRO C[C@H](C(=O)N1CCC(C(=O)[O-])CC1)[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000828259003 602054417 /nfs/dbraw/zinc/05/44/17/602054417.db2.gz VTOACNZCOFRSRO-ZWKOTPCHSA-N 1 0 393.572 2.675 20 0 GFADRO C[C@@H]1C[NH+](Cc2ccc(C[NH2+]CC3CCN(C(=O)[O-])CC3)cc2)C[C@@H](C)O1 ZINC000826059662 604499333 /nfs/dbraw/zinc/49/93/33/604499333.db2.gz YEVPUUHZVOIGSN-IAGOWNOFSA-N 1 0 375.513 2.775 20 0 GFADRO C[C@@H](Oc1ccc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)cc1)C(=O)[O-] ZINC000833539010 604664679 /nfs/dbraw/zinc/66/46/79/604664679.db2.gz FQOXJOFJVIOWJN-QGZVFWFLSA-N 1 0 376.497 2.615 20 0 GFADRO C[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)C[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1F ZINC000824884752 607750136 /nfs/dbraw/zinc/75/01/36/607750136.db2.gz PBEAQFXUHGJDSB-CHWSQXEVSA-N 1 0 390.463 2.741 20 0 GFADRO C[C@H](C[C@H]1CCCN1C(=O)[O-])[NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1 ZINC000824766805 605511234 /nfs/dbraw/zinc/51/12/34/605511234.db2.gz DWDBHEWTKJSQES-VQIMIIECSA-N 1 0 375.513 2.654 20 0 GFADRO O=C([O-])NC1CCC([NH2+]CC2CC[NH+](C[C@H](O)c3ccccc3)CC2)CC1 ZINC000834164685 605610648 /nfs/dbraw/zinc/61/06/48/605610648.db2.gz JNAJQUWTWAYDOV-MHJFOBGBSA-N 1 0 375.513 2.600 20 0 GFADRO O=C([O-])NC[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000834222625 605698558 /nfs/dbraw/zinc/69/85/58/605698558.db2.gz ONCAQUYCZGESPR-UYAOXDASSA-N 1 0 375.513 2.559 20 0 GFADRO O=C([O-])N[C@@H]1C[C@H]([NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)c2ccccc21 ZINC000834157110 605915510 /nfs/dbraw/zinc/91/55/10/605915510.db2.gz FYOVSHZCYVFUCM-JRGCBEDISA-N 1 0 381.476 2.797 20 0 GFADRO CC(C)[NH+](CCCNC(=O)CSCc1ccc(-c2nn[nH]n2)cc1)C(C)C ZINC000820117065 606028143 /nfs/dbraw/zinc/02/81/43/606028143.db2.gz SSSFIAOFQNMRGY-UHFFFAOYSA-N 1 0 390.557 2.725 20 0 GFADRO CC[C@@H]1C[N@@H+]([C@@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)CC[C@@H]1c1ccccc1 ZINC000820993973 606111256 /nfs/dbraw/zinc/11/12/56/606111256.db2.gz CZONMKJJBQPFGM-UIAACRFSSA-N 1 0 390.491 2.909 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)c2ccc(-c3nn[nH]n3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000820658334 606188192 /nfs/dbraw/zinc/18/81/92/606188192.db2.gz ROWZOPKROHQJPA-DNVCBOLYSA-N 1 0 376.464 2.650 20 0 GFADRO CC[NH+](CC)CCCNC(=O)c1ccccc1-c1ccccc1-c1nn[nH]n1 ZINC000821189227 606196769 /nfs/dbraw/zinc/19/67/69/606196769.db2.gz JINBFRKDWFFSBZ-UHFFFAOYSA-N 1 0 378.480 2.995 20 0 GFADRO CN(CC[N@@H+]1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1)c1ccccc1 ZINC000821601721 606200251 /nfs/dbraw/zinc/20/02/51/606200251.db2.gz WQJJNEJEJMLFBV-UHFFFAOYSA-N 1 0 391.523 2.511 20 0 GFADRO CC[C@H]1C[N@@H+]2CCCC[C@H]2CN1c1nc(C(F)(F)F)ccc1-c1nn[nH]n1 ZINC000821000229 606226730 /nfs/dbraw/zinc/22/67/30/606226730.db2.gz BDCOTJMMXHACMN-RYUDHWBXSA-N 1 0 381.406 2.734 20 0 GFADRO C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)c3cc(-c4nn[nH]n4)cn3C)cc2)C1 ZINC000820709544 606229343 /nfs/dbraw/zinc/22/93/43/606229343.db2.gz JZKDRLRJICBTRI-AWEZNQCLSA-N 1 0 379.468 2.689 20 0 GFADRO C[NH+](C)[C@H]1CCN(C(=O)c2ccc(Sc3ccccc3-c3nn[nH]n3)cc2)C1 ZINC000821583118 606269893 /nfs/dbraw/zinc/26/98/93/606269893.db2.gz JCCLVSSXOIVVII-HNNXBMFYSA-N 1 0 394.504 2.794 20 0 GFADRO O=C1[C@H]([N@@H+]2CC[C@@H](c3ccccc3)C2)CCN1c1sccc1-c1nn[nH]n1 ZINC000823504096 606318236 /nfs/dbraw/zinc/31/82/36/606318236.db2.gz MALNTSWKJBHBBM-GDBMZVCRSA-N 1 0 380.477 2.523 20 0 GFADRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)Nc2ccc(F)cc2-c2nn[nH]n2)C1 ZINC000820709027 606346161 /nfs/dbraw/zinc/34/61/61/606346161.db2.gz CDFGUOPKKUBMGT-GFCCVEGCSA-N 1 0 375.452 2.638 20 0 GFADRO COc1ccc([C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)N2CCCC2)cc1 ZINC000821777994 606405482 /nfs/dbraw/zinc/40/54/82/606405482.db2.gz REAQQDFHHDPATR-KRWDZBQOSA-N 1 0 384.509 2.864 20 0 GFADRO COCCOc1ccc([C@@H](C)[NH2+]Cc2ccc(-c3nn[nH]n3)s2)cc1OC ZINC000821693785 606409457 /nfs/dbraw/zinc/40/94/57/606409457.db2.gz NOGQHEMCLHIYEG-GFCCVEGCSA-N 1 0 389.481 2.813 20 0 GFADRO CC(C)(C)OC(=O)N1CC[C@H](CC[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC000819933326 606418054 /nfs/dbraw/zinc/41/80/54/606418054.db2.gz NPZNCMKZUXDXOA-LBPRGKRZSA-N 1 0 378.502 2.665 20 0 GFADRO O=C(c1ccccc1)N1CCC(C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)CC1 ZINC000823494003 606422460 /nfs/dbraw/zinc/42/24/60/606422460.db2.gz ZONZAYCTWLWJAE-UHFFFAOYSA-N 1 0 382.493 2.570 20 0 GFADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NCc1ccc(-c2nn[nH]n2)s1 ZINC000821400754 606425913 /nfs/dbraw/zinc/42/59/13/606425913.db2.gz NLNXWMDOOLBGLB-UHFFFAOYSA-N 1 0 399.524 2.691 20 0 GFADRO O=C(OC[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1cc(-c2nn[nH]n2)cs1 ZINC000823397210 606467514 /nfs/dbraw/zinc/46/75/14/606467514.db2.gz SNNWAWKXENPXHC-HNNXBMFYSA-N 1 0 383.477 2.997 20 0 GFADRO C[NH+](C)CCn1ccc2ccc(NC(=O)c3cc(-c4nn[nH]n4)cs3)cc21 ZINC000821587258 606516391 /nfs/dbraw/zinc/51/63/91/606516391.db2.gz NTYIIPYVLDHVPJ-UHFFFAOYSA-N 1 0 381.465 2.697 20 0 GFADRO c1c(C[N@@H+](CCc2ccccc2)[C@@H]2CCOC2)c(-c2nn[nH]n2)c2ccccn12 ZINC000823780097 606526569 /nfs/dbraw/zinc/52/65/69/606526569.db2.gz NZSGNZFBVOYUJY-LJQANCHMSA-N 1 0 388.475 2.953 20 0 GFADRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1cc(-c2nn[nH]n2)cs1 ZINC000820758828 606537964 /nfs/dbraw/zinc/53/79/64/606537964.db2.gz DLCJVJZAZAFKNO-XJKSGUPXSA-N 1 0 382.493 2.569 20 0 GFADRO Cc1ccc([C@@H](CNC(=O)c2cc(-c3nn[nH]n3)cs2)[NH+]2CCCC2)cc1 ZINC000822230243 606538527 /nfs/dbraw/zinc/53/85/27/606538527.db2.gz ACYVOVFVBXAIAE-MRXNPFEDSA-N 1 0 382.493 2.804 20 0 GFADRO C[C@@H](C(=O)OCc1ccc(-c2nn[nH]n2)cc1OC(F)F)[NH+]1[C@H](C)CC[C@H]1C ZINC000820683453 606560332 /nfs/dbraw/zinc/56/03/32/606560332.db2.gz BHTFXBMRHKEATJ-UTUOFQBUSA-N 1 0 395.410 2.773 20 0 GFADRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC000820705192 606561728 /nfs/dbraw/zinc/56/17/28/606561728.db2.gz RXNPGOFXSOSWHR-FUHWJXTLSA-N 1 0 382.512 2.522 20 0 GFADRO CC(C)C1CCC([NH+]2CCN(C(=O)c3ccc(-c4nn[nH]n4)cc3)CC2)CC1 ZINC000820037803 606606380 /nfs/dbraw/zinc/60/63/80/606606380.db2.gz IFBWKYKBIIGJDW-UHFFFAOYSA-N 1 0 382.512 2.839 20 0 GFADRO Cc1cccc([C@@H]([NH2+]C[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)C(C)(C)C)c1 ZINC000822288553 606618634 /nfs/dbraw/zinc/61/86/34/606618634.db2.gz BGBQIKJRBVIJAS-WMLDXEAASA-N 1 0 380.500 2.790 20 0 GFADRO CCCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000821104774 606640182 /nfs/dbraw/zinc/64/01/82/606640182.db2.gz QCTSMXISICCFES-HNNXBMFYSA-N 1 0 387.532 2.765 20 0 GFADRO C[C@@H](C(=O)Nc1ccccc1-c1nn[nH]n1)[N@@H+]1CC[C@](C)(c2ccccc2)C1 ZINC000819877230 606717071 /nfs/dbraw/zinc/71/70/71/606717071.db2.gz RMMHILVPXAVUAN-BTYIYWSLSA-N 1 0 376.464 2.857 20 0 GFADRO CCOCCOc1cc(C)ccc1C[NH2+]Cc1ccc(OC)c(-c2nn[nH]n2)c1 ZINC000821383754 606727181 /nfs/dbraw/zinc/72/71/81/606727181.db2.gz IROUQEYBVMIMGM-UHFFFAOYSA-N 1 0 397.479 2.889 20 0 GFADRO Cc1ccc(C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)c(OC[C@@H]2CCOC2)c1 ZINC000822238853 606728150 /nfs/dbraw/zinc/72/81/50/606728150.db2.gz XMSMNTPZMWIMJR-QGZVFWFLSA-N 1 0 379.464 2.880 20 0 GFADRO COc1cc(C[N@@H+]2CC[C@@H](Nc3cccc(F)c3-c3nn[nH]n3)C2)cc(OC)c1 ZINC000821717613 606728235 /nfs/dbraw/zinc/72/82/35/606728235.db2.gz ROQIYRXKMCBADV-CQSZACIVSA-N 1 0 398.442 2.709 20 0 GFADRO COc1ccc(CC[NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)c(Cl)c1 ZINC000821789875 606741231 /nfs/dbraw/zinc/74/12/31/606741231.db2.gz BHRAXRIZLUYWBQ-UHFFFAOYSA-N 1 0 383.843 2.509 20 0 GFADRO CC[C@@H]([NH2+]Cc1cc(-c2nn[nH]n2)cs1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000820926946 606742535 /nfs/dbraw/zinc/74/25/35/606742535.db2.gz XXKCPRHDSSVRHM-RTBURBONSA-N 1 0 398.536 2.697 20 0 GFADRO C[NH+](C)C1(C(=O)NCc2cccc(-c3ccc(-c4nn[nH]n4)s3)c2)CCC1 ZINC000821581054 606834298 /nfs/dbraw/zinc/83/42/98/606834298.db2.gz BITXRDIZVXPERJ-UHFFFAOYSA-N 1 0 382.493 2.696 20 0 GFADRO O[C@H](C[NH2+]C[C@H]1CCCO[C@@H]1c1ccccc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823681638 606858551 /nfs/dbraw/zinc/85/85/51/606858551.db2.gz HWUJVCQQYPBKGR-VAMGGRTRSA-N 1 0 379.464 2.658 20 0 GFADRO Cc1ccc(C)c([C@@H]2C[N@H+](C[C@H](O)c3ccc(-c4nn[nH]n4)cc3)[C@@H](C)CO2)c1 ZINC000822231908 606904152 /nfs/dbraw/zinc/90/41/52/606904152.db2.gz MCRJOGZLXJSCEE-NDXORKPFSA-N 1 0 393.491 2.979 20 0 GFADRO OCCC[N@H+](C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1)[C@H]1CCCc2ccccc21 ZINC000823718027 606910574 /nfs/dbraw/zinc/91/05/74/606910574.db2.gz PLIJVTUXHJRMAX-LEWJYISDSA-N 1 0 393.491 2.662 20 0 GFADRO CCc1nnc(N2CCC[C@H]([NH+]3[C@H](C)CC[C@H]3C)C2)c(-c2nn[nH]n2)c1CC ZINC000821523007 606921885 /nfs/dbraw/zinc/92/18/85/606921885.db2.gz QDDOQDUIDIVJST-KFWWJZLASA-N 1 0 384.532 2.623 20 0 GFADRO Cc1cccc(NC2CC[NH+](C[C@H](O)c3ccc(-c4nn[nH]n4)cc3)CC2)c1 ZINC000822323617 606928432 /nfs/dbraw/zinc/92/84/32/606928432.db2.gz KLBQNFJCWQFHLT-FQEVSTJZSA-N 1 0 378.480 2.785 20 0 GFADRO Cc1ccccc1C[C@H](C)[NH2+]C1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1 ZINC000822356047 607046959 /nfs/dbraw/zinc/04/69/59/607046959.db2.gz HJKLQSMFIRAWOC-INIZCTEOSA-N 1 0 377.496 2.760 20 0 GFADRO CC(C)(C)OC(=O)NC[C@](C)([NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)C1CC1 ZINC000819940318 607097605 /nfs/dbraw/zinc/09/76/05/607097605.db2.gz WYORHUIPWKYWMY-IBGZPJMESA-N 1 0 390.463 2.789 20 0 GFADRO CCC1(CC)[C@H]([N@H+](C)CCC(=O)Nc2sccc2-c2nn[nH]n2)C[C@@H]1OC ZINC000820957799 607106429 /nfs/dbraw/zinc/10/64/29/607106429.db2.gz QDXSPCSPAXWJRH-KGLIPLIRSA-N 1 0 392.529 2.782 20 0 GFADRO CCC1(CC)[C@H](OC)C[C@@H]1[N@H+](C)Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)o1 ZINC000820958749 607106561 /nfs/dbraw/zinc/10/65/61/607106561.db2.gz YMOHLCYZDIEVDM-JKSUJKDBSA-N 1 0 397.483 2.942 20 0 GFADRO C[N@H+](CCOc1ccc(-c2nn[nH]n2)cc1)Cc1cnn(-c2ccccc2)c1 ZINC000821603790 607112882 /nfs/dbraw/zinc/11/28/82/607112882.db2.gz OYVOCUBJDGIZLA-UHFFFAOYSA-N 1 0 375.436 2.563 20 0 GFADRO C[NH+](C)CCN(Cc1ccc(F)cc1)c1ncc(-c2nn[nH]n2)cc1Cl ZINC000821586163 607114116 /nfs/dbraw/zinc/11/41/16/607114116.db2.gz MLZRDOZBFJTVHE-UHFFFAOYSA-N 1 0 375.839 2.622 20 0 GFADRO COc1ccc(C[NH2+][C@H](C)c2ccccc2-n2cccn2)cc1-c1nn[nH]n1 ZINC000821805217 607131876 /nfs/dbraw/zinc/13/18/76/607131876.db2.gz RWUJLCQHEMFXEH-CQSZACIVSA-N 1 0 375.436 2.912 20 0 GFADRO COC(=O)CCC[N@H+](Cc1ccccc1)Cc1cc(F)ccc1-c1nn[nH]n1 ZINC000821660377 607176136 /nfs/dbraw/zinc/17/61/36/607176136.db2.gz OUEBIWROYCKPHC-UHFFFAOYSA-N 1 0 383.427 2.961 20 0 GFADRO C[C@H](C(=O)Nc1cccc(-c2nn[nH]n2)c1)[N@@H+]1CCC[C@H](Nc2ccccc2)C1 ZINC000819877086 607177250 /nfs/dbraw/zinc/17/72/50/607177250.db2.gz OHJUSZQCLGZUQB-BEFAXECRSA-N 1 0 391.479 2.770 20 0 GFADRO CC1(c2ccccc2)CC[NH+](C[C@@H](O)COc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000824844050 607800609 /nfs/dbraw/zinc/80/06/09/607800609.db2.gz NQQQEMYGCKLKOD-LJQANCHMSA-N 1 0 393.491 2.660 20 0 GFADRO CCC[N@H+](CCS(=O)(=O)c1cccc(-c2nn[nH]n2)c1)CC1CCCCC1 ZINC000825313928 607827902 /nfs/dbraw/zinc/82/79/02/607827902.db2.gz UOPWQXFMVUTPSG-UHFFFAOYSA-N 1 0 391.541 2.933 20 0 GFADRO CCC[C@@H](C(=O)Nc1ncc(Cc2ccc(-c3nn[nH]n3)cc2)s1)[NH+](C)C ZINC000825224733 607878447 /nfs/dbraw/zinc/87/84/47/607878447.db2.gz CHLTYXPHZOPMRO-HNNXBMFYSA-N 1 0 385.497 2.583 20 0 GFADRO C[NH2+]CCCc1[nH]nc(NC(=O)C[C@@H]2C[C@H](C)CC(C)(C)C2)c1-c1nn[nH]n1 ZINC000826077852 608020452 /nfs/dbraw/zinc/02/04/52/608020452.db2.gz XQVZJHNKCDXWNR-STQMWFEESA-N 1 0 388.520 2.533 20 0 GFADRO Fc1ccc(C2(C[NH2+]Cc3cnc4ccc(-c5nn[nH]n5)cn34)CC2)c(F)c1 ZINC000826374039 608057499 /nfs/dbraw/zinc/05/74/99/608057499.db2.gz IXWDMWNYHNLHGH-UHFFFAOYSA-N 1 0 381.390 2.614 20 0 GFADRO CC(C)[NH+](CCS[C@H]1CCN(c2ccc(-c3nn[nH]n3)cc2)C1=O)C(C)C ZINC000824292804 608077777 /nfs/dbraw/zinc/07/77/77/608077777.db2.gz AJRYTOZXGAPSAM-KRWDZBQOSA-N 1 0 388.541 2.824 20 0 GFADRO O=C1[C@@H]([NH2+]Cc2cc(-c3nn[nH]n3)cs2)CCN1c1ccc(Cl)c(F)c1 ZINC000826476725 608114167 /nfs/dbraw/zinc/11/41/67/608114167.db2.gz NJMOBBLNRBYBQN-AWEZNQCLSA-N 1 0 392.847 2.616 20 0 GFADRO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3-c3nn[nH]n3)C[C@@H]21 ZINC000824109898 608129665 /nfs/dbraw/zinc/12/96/65/608129665.db2.gz YOKPNYNUTSWVHE-BPQIPLTHSA-N 1 0 398.511 2.992 20 0 GFADRO Fc1ccc(-c2noc(CCC[NH2+]Cc3ccc(-c4nn[nH]n4)s3)n2)cc1 ZINC000826373229 608134858 /nfs/dbraw/zinc/13/48/58/608134858.db2.gz FGSQVXFEOHSWEJ-UHFFFAOYSA-N 1 0 385.428 2.840 20 0 GFADRO O=C(N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)c1sccc1-c1nn[nH]n1 ZINC000826429902 608134961 /nfs/dbraw/zinc/13/49/61/608134961.db2.gz PJPSZUDGEKWWFR-USXIJHARSA-N 1 0 394.504 2.569 20 0 GFADRO O=C(C[N@@H+]1CC[C@H](C2CC2)C1)Nc1sc2c(c1-c1nn[nH]n1)CCCCC2 ZINC000826410170 608173220 /nfs/dbraw/zinc/17/32/20/608173220.db2.gz FFRGIDMLSCTFJK-ZDUSSCGKSA-N 1 0 386.525 2.868 20 0 GFADRO C[NH+](C)CCN(Cc1ccccc1F)c1snc(Cl)c1-c1nn[nH]n1 ZINC000825865615 608190473 /nfs/dbraw/zinc/19/04/73/608190473.db2.gz IEJKZUQJQQIIBO-UHFFFAOYSA-N 1 0 381.868 2.684 20 0 GFADRO c1cc2c(s1)CC[N@@H+](CCNc1ccc3cc(-c4nn[nH]n4)ccc3n1)C2 ZINC000826518357 608224485 /nfs/dbraw/zinc/22/44/85/608224485.db2.gz KNYINXWPKQGWMY-UHFFFAOYSA-N 1 0 377.477 2.947 20 0 GFADRO C[C@@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000824977877 608265243 /nfs/dbraw/zinc/26/52/43/608265243.db2.gz SPDSKVZBVBWPRS-JKSUJKDBSA-N 1 0 391.479 2.993 20 0 GFADRO Cc1cccc(NC(=O)C[C@@H](C)[NH2+]CCOc2ccc(-c3nn[nH]n3)cc2)c1C ZINC000826299245 608281554 /nfs/dbraw/zinc/28/15/54/608281554.db2.gz WZWNDLVSCWVKKA-OAHLLOKOSA-N 1 0 394.479 2.869 20 0 GFADRO C[C@@H]1C[C@H]([NH2+]CCOc2ccc(-c3nn[nH]n3)cc2)CCN1Cc1ccccc1 ZINC000824893853 608282700 /nfs/dbraw/zinc/28/27/00/608282700.db2.gz VSIHSZMDGBLCIZ-YLJYHZDGSA-N 1 0 392.507 2.888 20 0 GFADRO CC[N@@H+]1C[C@@H](C)N(C(=O)Nc2ccc(OC(C)C)c(-c3nn[nH]n3)c2)C[C@H]1C ZINC000825444793 608307365 /nfs/dbraw/zinc/30/73/65/608307365.db2.gz QWXVKNIJPOYIQY-ZIAGYGMSSA-N 1 0 387.488 2.600 20 0 GFADRO Cc1nn(-c2ccccc2)c(C[N@H+]2CC[C@H](OCC(C)C)C2)c1-c1nn[nH]n1 ZINC000826332393 608317507 /nfs/dbraw/zinc/31/75/07/608317507.db2.gz SLJLIVUWXVEJMX-KRWDZBQOSA-N 1 0 381.484 2.608 20 0 GFADRO CC[C@@H](CSC)[N@H+](C)CCC(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000825125538 608325169 /nfs/dbraw/zinc/32/51/69/608325169.db2.gz DGUJRESPTSQROZ-LBPRGKRZSA-N 1 0 382.921 2.922 20 0 GFADRO c1cc(-c2nn[nH]n2)cc(-c2nnc(C[N@H+]3CCC[C@H](C[C@@H]4CCOC4)C3)o2)c1 ZINC000826512888 608326551 /nfs/dbraw/zinc/32/65/51/608326551.db2.gz SMYMRZSBLOWIHY-CABCVRRESA-N 1 0 395.467 2.555 20 0 GFADRO COc1cc(-c2nn[nH]n2)ccc1C[N@@H+]1CCCC[C@@H]1Cn1nc(C)cc1C ZINC000826169540 608359768 /nfs/dbraw/zinc/35/97/68/608359768.db2.gz WOLYTADUPSLYJW-GOSISDBHSA-N 1 0 381.484 2.743 20 0 GFADRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(c2nc3c(cc2-c2nn[nH]n2)CCCC3)C1 ZINC000824906951 608369093 /nfs/dbraw/zinc/36/90/93/608369093.db2.gz FZZNTRXYUBNSFI-BFYDXBDKSA-N 1 0 381.528 2.982 20 0 GFADRO O[C@@]1(Cc2cccc(Cl)c2)CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC000826505703 608379645 /nfs/dbraw/zinc/37/96/45/608379645.db2.gz CQRYXEILKUONGK-LJQANCHMSA-N 1 0 387.846 2.839 20 0 GFADRO C[N@H+](Cc1ccccc1-c1nn[nH]n1)[C@@H](CO)c1cccc(Br)c1 ZINC000825980528 608381280 /nfs/dbraw/zinc/38/12/80/608381280.db2.gz CVEFXRLMAXMYHY-INIZCTEOSA-N 1 0 388.269 2.795 20 0 GFADRO C[NH+](C)CCCC1CCN(C(=O)Nc2ccc(F)cc2-c2nn[nH]n2)CC1 ZINC000825860795 608383773 /nfs/dbraw/zinc/38/37/73/608383773.db2.gz XBLQZPJBJBYJPJ-UHFFFAOYSA-N 1 0 375.452 2.592 20 0 GFADRO CC[N@H+](Cc1ccc(C(=O)N(C)C)cc1)Cc1cccc(-c2nn[nH]n2)c1F ZINC000825435257 608390330 /nfs/dbraw/zinc/39/03/30/608390330.db2.gz RLFSAEAULSQEEG-UHFFFAOYSA-N 1 0 382.443 2.730 20 0 GFADRO CCN(C[C@@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2F)C1)CC(F)(F)F ZINC000825417117 608399068 /nfs/dbraw/zinc/39/90/68/608399068.db2.gz ONSLECAAUIETEF-LBPRGKRZSA-N 1 0 386.397 2.712 20 0 GFADRO C[C@@H]([NH2+]CC(=O)NCc1cccc(-c2nn[nH]n2)c1)c1cccc2ccccc21 ZINC000824562795 608425481 /nfs/dbraw/zinc/42/54/81/608425481.db2.gz IRHRDHAJGFNEEJ-OAHLLOKOSA-N 1 0 386.459 2.987 20 0 GFADRO COc1cc(-c2nn[nH]n2)ccc1OCC[NH2+][C@@H](C)c1cc(F)ccc1F ZINC000826176431 608439383 /nfs/dbraw/zinc/43/93/83/608439383.db2.gz PGDSWEFGEYPGNJ-NSHDSACASA-N 1 0 375.379 2.883 20 0 GFADRO C[C@H]([NH2+]CC(=O)Nc1sccc1-c1nn[nH]n1)c1cccc(OC(F)F)c1 ZINC000824561991 608444074 /nfs/dbraw/zinc/44/40/74/608444074.db2.gz AHXPDCPOWZRQSO-VIFPVBQESA-N 1 0 394.407 2.819 20 0 GFADRO CC(C)[NH+]1CCN(c2cccc(NC(=O)c3ccc(-c4nn[nH]n4)s3)c2)CC1 ZINC000824301245 608449439 /nfs/dbraw/zinc/44/94/39/608449439.db2.gz UWFMGRVZQLIMGR-UHFFFAOYSA-N 1 0 397.508 2.711 20 0 GFADRO COc1cc([C@H](C)[NH2+]CCOc2ccccc2-c2nn[nH]n2)cc(OC)c1OC ZINC000826177479 608449893 /nfs/dbraw/zinc/44/98/93/608449893.db2.gz KATKZKMIAOXZHR-ZDUSSCGKSA-N 1 0 399.451 2.622 20 0 GFADRO CC[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc(-c2nn[nH]n2)c1)c1ccccc1OC ZINC000825142991 608456063 /nfs/dbraw/zinc/45/60/63/608456063.db2.gz UNOZMRXOULKKHJ-SUMWQHHRSA-N 1 0 380.452 2.943 20 0 GFADRO CC[C@H]([NH2+][C@H](C)C(=O)Nc1cccc(-c2nn[nH]n2)c1)c1ccccc1OC ZINC000825142987 608456349 /nfs/dbraw/zinc/45/63/49/608456349.db2.gz UNOZMRXOULKKHJ-DYVFJYSZSA-N 1 0 380.452 2.943 20 0 GFADRO O[C@H](COCc1ccccc1)C[N@H+]1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826503906 608464833 /nfs/dbraw/zinc/46/48/33/608464833.db2.gz JHDKBCFJORBAJI-NRFANRHFSA-N 1 0 391.475 2.534 20 0 GFADRO COc1cc([C@H](C)[NH2+][C@@H](C)c2ccc(-c3nn[nH]n3)cc2)ccc1OCCO ZINC000826177282 608470529 /nfs/dbraw/zinc/47/05/29/608470529.db2.gz BKMZKJGAVYGKJC-KBPBESRZSA-N 1 0 383.452 2.658 20 0 GFADRO C[C@H]([NH2+]CC(=O)Nc1ccc(F)c(F)c1F)c1cccc(-c2nn[nH]n2)c1 ZINC000824562818 608490465 /nfs/dbraw/zinc/49/04/65/608490465.db2.gz JFXNESYQNPTUBQ-VIFPVBQESA-N 1 0 376.342 2.573 20 0 GFADRO O=C(CC[NH2+][C@@H]1CCCc2cc(-c3nn[nH]n3)ccc21)NCc1ccccc1 ZINC000826407490 608507860 /nfs/dbraw/zinc/50/78/60/608507860.db2.gz ORKYHFCPDHRILC-LJQANCHMSA-N 1 0 376.464 2.540 20 0 GFADRO Fc1cccnc1N1CC[C@@H]([NH2+][C@H]2CCCc3cc(-c4nn[nH]n4)ccc32)C1 ZINC000826378311 608516920 /nfs/dbraw/zinc/51/69/20/608516920.db2.gz DKEIAHFKLGCENR-QAPCUYQASA-N 1 0 379.443 2.647 20 0 GFADRO Cc1ccccc1[C@H]([NH2+]CC(=O)NCc1cccc(-c2nn[nH]n2)c1)C(C)C ZINC000826306006 608520012 /nfs/dbraw/zinc/52/00/12/608520012.db2.gz NZAGBMHODFDWEG-HXUWFJFHSA-N 1 0 378.480 2.778 20 0 GFADRO c1cc2c(cc1-c1nn[nH]n1)CCC[C@H]2[NH2+]CC1(N2CCCCC2)CCOCC1 ZINC000826518058 608520796 /nfs/dbraw/zinc/52/07/96/608520796.db2.gz AIHUMRLQAZEFTO-HXUWFJFHSA-N 1 0 396.539 2.869 20 0 GFADRO Cc1ccc(N2CC[C@H]([NH2+][C@@H]3CCCc4cc(-c5nn[nH]n5)ccc43)C2=O)cc1 ZINC000826289738 608521349 /nfs/dbraw/zinc/52/13/49/608521349.db2.gz LDVIOFVKBLGXHN-UXHICEINSA-N 1 0 388.475 2.948 20 0 GFADRO CCc1ccc(C(C)(C)[NH2+]C[C@@H](O)COc2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000825704638 608538052 /nfs/dbraw/zinc/53/80/52/608538052.db2.gz LJCSSUSDKVSCRU-GOSISDBHSA-N 1 0 381.480 2.694 20 0 GFADRO COc1cccc(F)c1[C@@H](C)[NH2+]CCC(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000826216621 608538207 /nfs/dbraw/zinc/53/82/07/608538207.db2.gz HLKYXSXPYKPUAQ-GFCCVEGCSA-N 1 0 384.415 2.694 20 0 GFADRO C[C@H]([NH2+]CCOc1cccc(-c2nn[nH]n2)c1)c1ccc(-n2cccn2)cc1 ZINC000824599431 608550525 /nfs/dbraw/zinc/55/05/25/608550525.db2.gz ORHWWXBGOIKFKI-HNNXBMFYSA-N 1 0 375.436 2.782 20 0 GFADRO CC(=O)Nc1ccc(C[N@@H+]2CCCN(c3ccccc3-c3nn[nH]n3)CC2)cc1 ZINC000823999721 608583858 /nfs/dbraw/zinc/58/38/58/608583858.db2.gz ISWSHJIXKLPGTM-UHFFFAOYSA-N 1 0 391.479 2.537 20 0 GFADRO Cc1ccc2ncc(C[N@@H+]3CCCN(c4ccccc4-c4nn[nH]n4)CC3)n2c1 ZINC000826295467 608585490 /nfs/dbraw/zinc/58/54/90/608585490.db2.gz IPMVRGQDBSHYHA-UHFFFAOYSA-N 1 0 388.479 2.535 20 0 GFADRO Fc1ccc(C[C@@H]2CCC[N@@H+]2Cc2cnc3ccc(-c4nn[nH]n4)cn23)cc1 ZINC000826373811 608621688 /nfs/dbraw/zinc/62/16/88/608621688.db2.gz AOMMYNHZQCTFII-KRWDZBQOSA-N 1 0 377.427 2.861 20 0 GFADRO COCCCC[N@H+](Cc1cnc2ccc(-c3nn[nH]n3)cn12)Cc1ccccc1 ZINC000826155833 608635438 /nfs/dbraw/zinc/63/54/38/608635438.db2.gz DSSLUFFGCYNXMT-UHFFFAOYSA-N 1 0 391.479 2.943 20 0 GFADRO Cc1ccoc1C[NH+]1CCN(c2c(-c3nn[nH]n3)cnc3ccccc32)CC1 ZINC000826315390 608655086 /nfs/dbraw/zinc/65/50/86/608655086.db2.gz IGPFGCNBIYFFIL-UHFFFAOYSA-N 1 0 375.436 2.639 20 0 GFADRO Cc1nc([C@H]2CCC[N@H+](Cc3cnc4ccc(-c5nn[nH]n5)cn34)C2)sc1C ZINC000826324895 608664208 /nfs/dbraw/zinc/66/42/08/608664208.db2.gz IBBUIBNGGIKVDB-HNNXBMFYSA-N 1 0 394.508 2.967 20 0 GFADRO Cc1cc(C(=O)NC2CC[NH+](Cc3ccc(-c4nn[nH]n4)s3)CC2)c(C)o1 ZINC000826258949 608675545 /nfs/dbraw/zinc/67/55/45/608675545.db2.gz BUGFMSWBQGEXNC-UHFFFAOYSA-N 1 0 386.481 2.532 20 0 GFADRO C[C@]1(O)CCC[N@H+](Cc2cccc(OCc3cccc(-c4nn[nH]n4)c3)c2)C1 ZINC000824844228 608718573 /nfs/dbraw/zinc/71/85/73/608718573.db2.gz SPULXTWYGHNSFH-NRFANRHFSA-N 1 0 379.464 2.793 20 0 GFADRO CCO[C@H]1C[C@H]([N@H+](C)Cc2cnc3ccc(-c4nn[nH]n4)cn23)C12CCCC2 ZINC000825581881 608719879 /nfs/dbraw/zinc/71/98/79/608719879.db2.gz FOEUXDKUKOEURK-IRXDYDNUSA-N 1 0 381.484 2.684 20 0 GFADRO CCO[C@@H]1C[C@H]([N@H+](C)Cc2cnc3ccc(-c4nn[nH]n4)cn23)C12CCCC2 ZINC000825581879 608719983 /nfs/dbraw/zinc/71/99/83/608719983.db2.gz FOEUXDKUKOEURK-DLBZAZTESA-N 1 0 381.484 2.684 20 0 GFADRO CC(C)(C)OC(=O)N1CC[C@@H]([N@H+](Cc2ccc(-c3nn[nH]n3)s2)C2CC2)C1 ZINC000824104178 608738200 /nfs/dbraw/zinc/73/82/00/608738200.db2.gz OQKSPVJXYRHTTO-CYBMUJFWSA-N 1 0 390.513 2.902 20 0 GFADRO CC[C@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CC[N@@H+]1Cc1ccc(-c2nn[nH]n2)o1 ZINC000825060816 608839439 /nfs/dbraw/zinc/83/94/39/608839439.db2.gz TUAXQYXLTVJACZ-KXBFYZLASA-N 1 0 395.511 2.896 20 0 GFADRO COc1ccc([C@H](C[NH+]2CCCC2)NC(=O)c2sccc2-c2nn[nH]n2)cc1 ZINC000826188610 608863821 /nfs/dbraw/zinc/86/38/21/608863821.db2.gz BKDUTFQHJXJSTN-INIZCTEOSA-N 1 0 398.492 2.504 20 0 GFADRO C[C@@H]([NH2+][C@@H](CC(=O)N(C)C)c1ccccc1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824528810 609134740 /nfs/dbraw/zinc/13/47/40/609134740.db2.gz CMBNJJNWHCKUPI-ACJLOTCBSA-N 1 0 382.443 2.876 20 0 GFADRO C[C@@H]([NH2+][C@H](C)c1ccc(-c2nn[nH]n2)c(F)c1)c1ccc(S(C)(=O)=O)cc1 ZINC000824533106 609136235 /nfs/dbraw/zinc/13/62/35/609136235.db2.gz YZOJPTGBYHBPRR-VXGBXAGGSA-N 1 0 389.456 2.821 20 0 GFADRO C[C@H]([NH2+]C1(CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)CCCC1)c1ccccc1 ZINC000824539364 609211055 /nfs/dbraw/zinc/21/10/55/609211055.db2.gz NDALBPOTJQVVQK-AWEZNQCLSA-N 1 0 379.468 2.588 20 0 GFADRO C[C@@H]([NH2+]C1CCN(Cc2ccccn2)CC1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824554933 609327150 /nfs/dbraw/zinc/32/71/50/609327150.db2.gz SZYAUVCLWMAYQE-CQSZACIVSA-N 1 0 381.459 2.716 20 0 GFADRO CCC1(CC)[C@H]([NH2+]Cc2cn(C)nc2-c2ccc(-c3nn[nH]n3)cc2)C[C@@H]1OC ZINC000825171923 609342598 /nfs/dbraw/zinc/34/25/98/609342598.db2.gz WPTQHAGAYFPWKX-MSOLQXFVSA-N 1 0 395.511 2.951 20 0 GFADRO C[C@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)cn1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824658418 609347546 /nfs/dbraw/zinc/34/75/46/609347546.db2.gz XAOZOFDFMLMDDV-BBRMVZONSA-N 1 0 396.474 2.714 20 0 GFADRO Brc1cc(-c2nn[nH]n2)ccc1CN1CCO[C@@H]2CCCC[C@@H]21 ZINC000823821768 609358193 /nfs/dbraw/zinc/35/81/93/609358193.db2.gz ZRVLKSXAHKNSMO-LSDHHAIUSA-N 1 0 378.274 2.773 20 0 GFADRO C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1Cc1ccc(-c2nn[nH]n2)cc1Br ZINC000826033345 609362358 /nfs/dbraw/zinc/36/23/58/609362358.db2.gz ASJTUNYXNSEGRV-CVEARBPZSA-N 1 0 391.317 2.688 20 0 GFADRO O[C@]12CCCC[C@@H]1C[N@H+](Cc1ccc(-c3nn[nH]n3)cc1Br)CC2 ZINC000826506525 609365055 /nfs/dbraw/zinc/36/50/55/609365055.db2.gz WKPKVCURHKWOCE-PBHICJAKSA-N 1 0 392.301 2.756 20 0 GFADRO CC[N@@H+]1CC[C@@H](CNC(=O)c2ccccc2Oc2ccccc2-c2nn[nH]n2)C1 ZINC000825450517 609375590 /nfs/dbraw/zinc/37/55/90/609375590.db2.gz AIAFHXQVEXNLOP-HNNXBMFYSA-N 1 0 392.463 2.731 20 0 GFADRO C[C@H](CCc1ccccc1)[NH2+][C@@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000824406582 609410718 /nfs/dbraw/zinc/41/07/18/609410718.db2.gz NHYARGTUANETHZ-OXQOHEQNSA-N 1 0 390.491 2.973 20 0 GFADRO C[C@H]([NH2+][C@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O)c1ccc(F)c(F)c1 ZINC000824548408 609412800 /nfs/dbraw/zinc/41/28/00/609412800.db2.gz XDILGIQOCLBFRU-SGTLLEGYSA-N 1 0 398.417 2.991 20 0 GFADRO C[C@H]([NH2+][C@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O)c1cccc(F)c1 ZINC000824548425 609412916 /nfs/dbraw/zinc/41/29/16/609412916.db2.gz XGBMDHCECQKHHK-UGSOOPFHSA-N 1 0 380.427 2.852 20 0 GFADRO Cc1ccc(C[NH2+][C@@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)cc1F ZINC000826288448 609413653 /nfs/dbraw/zinc/41/36/53/609413653.db2.gz HPIMNGPZVUYQNJ-GOSISDBHSA-N 1 0 380.427 2.599 20 0 GFADRO O=C1[C@@H]([NH2+]Cc2coc3ccccc23)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476828 609415458 /nfs/dbraw/zinc/41/54/58/609415458.db2.gz PZELARKSQWXGBP-SFHVURJKSA-N 1 0 388.431 2.898 20 0 GFADRO O=C1[C@H]([NH2+]Cc2ccnc3ccccc23)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826477224 609417702 /nfs/dbraw/zinc/41/77/02/609417702.db2.gz XZGINICQWZZBDV-HXUWFJFHSA-N 1 0 399.458 2.700 20 0 GFADRO OC[C@H]([NH2+]CCOc1ccc(-c2nn[nH]n2)cc1)c1ccc(C(F)(F)F)cc1 ZINC000826507130 609428913 /nfs/dbraw/zinc/42/89/13/609428913.db2.gz JCCMKQFQKXDCGO-INIZCTEOSA-N 1 0 393.369 2.588 20 0 GFADRO Cc1nn(-c2ccccc2)c(C[NH+]2CCC([C@@H]3CCOC3)CC2)c1-c1nn[nH]n1 ZINC000826332548 609609034 /nfs/dbraw/zinc/60/90/34/609609034.db2.gz XICPBEUSNNVFTC-QGZVFWFLSA-N 1 0 393.495 2.609 20 0 GFADRO CCSc1nnc(NC(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)s1 ZINC000532643818 650028905 /nfs/dbraw/zinc/02/89/05/650028905.db2.gz QXOIOOBASZLJTE-QWHCGFSZSA-N 1 0 385.559 2.540 20 0 GFADRO C[NH+](C)[C@H](CNc1ncnc2cccc(I)c21)C1CC1 ZINC000543413394 650910477 /nfs/dbraw/zinc/91/04/77/650910477.db2.gz JXTXXNJKXQVJOI-CYBMUJFWSA-N 1 0 382.249 2.987 20 0 GFADRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)c1cc(=O)c2cc(Br)ccc2o1 ZINC000817496237 660198386 /nfs/dbraw/zinc/19/83/86/660198386.db2.gz SUALLVMUWWPFEZ-LBPRGKRZSA-N 1 0 379.254 2.722 20 0 GFADRO CS(=O)(=O)c1cc(C(=O)N[C@H](CCC[NH3+])c2ccccc2)ccc1Cl ZINC000818004595 660213163 /nfs/dbraw/zinc/21/31/63/660213163.db2.gz HRPODRLLNOURKL-MRXNPFEDSA-N 1 0 380.897 2.954 20 0 GFADRO Cn1c(C(=O)N2CCCO[C@@H](C[NH3+])C2)ccc1-c1ccccc1Br ZINC000818011977 660213390 /nfs/dbraw/zinc/21/33/90/660213390.db2.gz GOHBDYQLITYZES-ZDUSSCGKSA-N 1 0 392.297 2.644 20 0 GFADRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)C[C@H](O)c3cc(Cl)cc(Cl)c3)[C@H]2C1 ZINC000818038234 660214445 /nfs/dbraw/zinc/21/44/45/660214445.db2.gz AXHYSCFICGPDEV-YESZJQIVSA-N 1 0 387.307 2.739 20 0 GFADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CSCC[C@@H]2CC2(Cl)Cl)C1 ZINC000818156162 660218055 /nfs/dbraw/zinc/21/80/55/660218055.db2.gz FPBHGZCLJPQVQQ-KGLIPLIRSA-N 1 0 383.385 2.777 20 0 GFADRO CC(C)(CNC(=O)CCOC1C[NH2+]C1)Sc1ccc(Br)cc1 ZINC000818500161 660227405 /nfs/dbraw/zinc/22/74/05/660227405.db2.gz HRWPEGBKSAPHAH-UHFFFAOYSA-N 1 0 387.343 2.815 20 0 GFADRO Cc1ccc(-n2nc(Br)cc2C(=O)N2C[C@@H](C[NH3+])C[C@H]2C)cc1 ZINC000818563486 660228802 /nfs/dbraw/zinc/22/88/02/660228802.db2.gz NILKYXRNOSMBRK-CHWSQXEVSA-N 1 0 377.286 2.753 20 0 GFADRO C/C(=C/C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1cccc(Cl)c1 ZINC000818594218 660229306 /nfs/dbraw/zinc/22/93/06/660229306.db2.gz KQKAODMCEDEGJU-HMVFGEFZSA-N 1 0 375.822 2.696 20 0 GFADRO CN(Cc1ccccc1)C(=O)C[NH2+]C[C@H](O)c1cccc(Br)c1 ZINC000818965864 660239034 /nfs/dbraw/zinc/23/90/34/660239034.db2.gz LRKRLXRKELEQJO-KRWDZBQOSA-N 1 0 377.282 2.731 20 0 GFADRO COCC(=O)Nc1cccc(C[NH2+]C[C@@H](O)c2cccc(Br)c2)c1 ZINC000818951968 660237494 /nfs/dbraw/zinc/23/74/94/660237494.db2.gz CPAKESSMYFPPDK-QGZVFWFLSA-N 1 0 393.281 2.857 20 0 GFADRO COCC(=O)Nc1cccc(C[NH2+]C[C@H](O)c2cccc(Br)c2)c1 ZINC000818951967 660237625 /nfs/dbraw/zinc/23/76/25/660237625.db2.gz CPAKESSMYFPPDK-KRWDZBQOSA-N 1 0 393.281 2.857 20 0 GFADRO CN(C[C@@H](O)C[NH2+]CCNc1ncc(Cl)cc1Cl)C(=O)OC(C)(C)C ZINC000818961667 660238013 /nfs/dbraw/zinc/23/80/13/660238013.db2.gz UUOKZXVVTVGNDA-LBPRGKRZSA-N 1 0 393.315 2.618 20 0 GFADRO CCN(CC)C(=O)C[NH2+]C[C@@](C)(O)c1ccc(Br)cc1Cl ZINC000818975407 660240043 /nfs/dbraw/zinc/24/00/43/660240043.db2.gz NUIWMWIEYHMGBG-OAHLLOKOSA-N 1 0 377.710 2.768 20 0 GFADRO CC(C)(C)OC(=O)NC[C@](C)(O)C[NH2+]CCc1ccccc1Br ZINC000818986148 660241548 /nfs/dbraw/zinc/24/15/48/660241548.db2.gz GXFLXXCIOVEBOV-QGZVFWFLSA-N 1 0 387.318 2.857 20 0 GFADRO CCN(CC)S(=O)(=O)c1ccc(CC[NH2+]C[C@@H](O)c2ccccc2)s1 ZINC000819017642 660243526 /nfs/dbraw/zinc/24/35/26/660243526.db2.gz JDRHTDQNHSPJCU-QGZVFWFLSA-N 1 0 382.551 2.644 20 0 GFADRO Cc1ccc(C(=O)NCC[NH2+]C[C@H](O)c2ccc(F)c(Br)c2)cc1 ZINC000819046639 660244436 /nfs/dbraw/zinc/24/44/36/660244436.db2.gz OTXWWFAUEGLVNJ-KRWDZBQOSA-N 1 0 395.272 2.950 20 0 GFADRO Cn1ccnc1[C@](O)(CC[NH2+]C[C@@H](O)c1cccc(Cl)c1)C(F)(F)F ZINC000818969345 660239398 /nfs/dbraw/zinc/23/93/98/660239398.db2.gz DBZZITQYANWAEG-UKRRQHHQSA-N 1 0 377.794 2.537 20 0 GFADRO CC(C)(C)OC(=O)CS(=O)(=O)CC[NH2+]CC1(c2cccc(Cl)c2)CC1 ZINC000819092062 660246158 /nfs/dbraw/zinc/24/61/58/660246158.db2.gz QHVBIRCBUJUODT-UHFFFAOYSA-N 1 0 387.929 2.718 20 0 GFADRO O=C1NCCc2ccc(C[NH2+]C[C@@H](O)c3ccc(Br)cc3)cc21 ZINC000819227099 660250938 /nfs/dbraw/zinc/25/09/38/660250938.db2.gz BIYFQWQLJGRCTD-QGZVFWFLSA-N 1 0 375.266 2.558 20 0 GFADRO CO[C@H](C[NH2+]C[C@@H](O)c1ccc(S(C)(=O)=O)cc1)c1cccc(Cl)c1 ZINC000819121617 660247203 /nfs/dbraw/zinc/24/72/03/660247203.db2.gz HNWWAQRAVOSAOR-QZTJIDSGSA-N 1 0 383.897 2.754 20 0 GFADRO CC(C)OCCN1CCC([NH2+]C[C@@H](O)c2ccccc2Br)CC1 ZINC000819128889 660247473 /nfs/dbraw/zinc/24/74/73/660247473.db2.gz SOJRVVBZSWWUFR-GOSISDBHSA-N 1 0 385.346 2.962 20 0 GFADRO CS(=O)(=O)c1ccc([C@@H](O)C[NH2+]C[C@@H]2SCCc3ccccc32)cc1 ZINC000819132734 660247597 /nfs/dbraw/zinc/24/75/97/660247597.db2.gz HUZCZFOOUXUTLL-OALUTQOASA-N 1 0 377.531 2.744 20 0 GFADRO CC1(CC[NH2+]C[C@H](O)COc2ccc(Cl)cc2Br)OCCO1 ZINC000819226968 660251027 /nfs/dbraw/zinc/25/10/27/660251027.db2.gz CXLLIRZPAZIREL-LBPRGKRZSA-N 1 0 394.693 2.585 20 0 GFADRO O=C(CC[NH2+]C[C@H]1CSCCS1)Nc1ccc(N2CCCC2=O)cc1 ZINC000819142498 660247745 /nfs/dbraw/zinc/24/77/45/660247745.db2.gz QFOWMYVYUQVPBH-INIZCTEOSA-N 1 0 379.551 2.580 20 0 GFADRO CN(C[C@@H](O)C[NH2+]CCOc1ncc(Cl)cc1Cl)C(=O)OC(C)(C)C ZINC000819161916 660248383 /nfs/dbraw/zinc/24/83/83/660248383.db2.gz MCFFLYUZHQZBQQ-LBPRGKRZSA-N 1 0 394.299 2.585 20 0 GFADRO CO[C@]1(C[NH2+]C[C@@](C)(O)c2ccc(Br)cc2Cl)CCOC1 ZINC000819235124 660251167 /nfs/dbraw/zinc/25/11/67/660251167.db2.gz MSDQZDLDIMGUDV-CABCVRRESA-N 1 0 378.694 2.705 20 0 GFADRO C[NH+]1CCN(c2ccc(Br)cc2NC(=O)/C=C/[C@H]2CCCO2)CC1 ZINC000819186300 660249343 /nfs/dbraw/zinc/24/93/43/660249343.db2.gz XVCJJHUCXVYZLC-KEDPEKRHSA-N 1 0 394.313 2.875 20 0 GFADRO O=S1(=O)CCCN1c1ccc(C[NH2+]C[C@@H](O)c2cccc(Cl)c2)cc1 ZINC000819235131 660251216 /nfs/dbraw/zinc/25/12/16/660251216.db2.gz MSEIQYOMVUXAJS-GOSISDBHSA-N 1 0 380.897 2.703 20 0 GFADRO CCn1cccc(C[NH2+]C[C@@](C)(O)c2ccc(Br)cc2F)c1=O ZINC000819272369 660253095 /nfs/dbraw/zinc/25/30/95/660253095.db2.gz SXTQGBUPORBKMZ-QGZVFWFLSA-N 1 0 383.261 2.767 20 0 GFADRO CN(CCC(F)(F)F)[C@H](C[NH2+]CCS(C)(=O)=O)c1ccc(Cl)cc1 ZINC000819297805 660253995 /nfs/dbraw/zinc/25/39/95/660253995.db2.gz WSPFYCOJGWAYOV-CQSZACIVSA-N 1 0 386.867 2.900 20 0 GFADRO O=C(CCCC[NH+]1CCCC1)NCCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000819335372 660255528 /nfs/dbraw/zinc/25/55/28/660255528.db2.gz IXJUCSWAVGHHLH-UHFFFAOYSA-N 1 0 386.945 2.886 20 0 GFADRO Cc1cc(N2CCC([NH2+]C[C@H](O)c3ccc(Br)cc3)CC2)n[nH]1 ZINC000819253168 660252121 /nfs/dbraw/zinc/25/21/21/660252121.db2.gz BVOQFLXKSPFSDT-INIZCTEOSA-N 1 0 379.302 2.773 20 0 GFADRO COC(=O)N1CCN(c2cc[nH+]c3cc(OC)c(Br)cc32)CC1 ZINC000819912110 660274430 /nfs/dbraw/zinc/27/44/30/660274430.db2.gz XXZLVKLXSBHEER-UHFFFAOYSA-N 1 0 380.242 2.894 20 0 GFADRO COc1cc2[nH+]ccc(N3CC[C@@H]4NC(=O)OC[C@H]4C3)c2cc1Br ZINC000819929125 660275311 /nfs/dbraw/zinc/27/53/11/660275311.db2.gz DTECEVVTYVEVIQ-MFKMUULPSA-N 1 0 392.253 2.941 20 0 GFADRO C[N@@H+]1CCC[C@@H]1[C@H]1COCCN1C(=O)C[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000820459223 660294257 /nfs/dbraw/zinc/29/42/57/660294257.db2.gz MOWASXFFDGNXGX-ZACQAIPSSA-N 1 0 387.307 2.739 20 0 GFADRO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)c1cnn(Cc2ccccc2)c1Br ZINC000820559854 660297455 /nfs/dbraw/zinc/29/74/55/660297455.db2.gz ZRWXYSOVOLHZPQ-CZUORRHYSA-N 1 0 391.313 2.859 20 0 GFADRO C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1cnn(Cc2ccccc2)c1Br ZINC000820559848 660297462 /nfs/dbraw/zinc/29/74/62/660297462.db2.gz ZRWXYSOVOLHZPQ-BBRMVZONSA-N 1 0 391.313 2.859 20 0 GFADRO Cn1c(C(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)cc2cc(Br)cnc21 ZINC000820608783 660298939 /nfs/dbraw/zinc/29/89/39/660298939.db2.gz MTFGVMMEQMBSOW-SFHVURJKSA-N 1 0 391.313 2.894 20 0 GFADRO C[C@@]1(C(=O)N2CC[NH+](C3CCCC3)CC2)CC1(Br)Br ZINC000820973290 660311724 /nfs/dbraw/zinc/31/17/24/660311724.db2.gz HNUDXXMUMYJMKL-ZDUSSCGKSA-N 1 0 394.151 2.969 20 0 GFADRO CC1(C)C(=O)N[C@H]1C1CC[NH+](C[C@H](O)c2cccc(Br)c2)CC1 ZINC000821337368 660322066 /nfs/dbraw/zinc/32/20/66/660322066.db2.gz UNIMKFQWRDZCFM-HOTGVXAUSA-N 1 0 381.314 2.719 20 0 GFADRO CCO[C@H](CC[NH+](C)C)CNC(=O)Nc1cc2ccc(Br)cn2n1 ZINC000482182283 647896125 /nfs/dbraw/zinc/89/61/25/647896125.db2.gz FYCVNCIJEGEQPJ-CQSZACIVSA-N 1 0 398.305 2.575 20 0 GFADRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)c2cc(Br)c3nccnc3c2)C1 ZINC000822152470 660340920 /nfs/dbraw/zinc/34/09/20/660340920.db2.gz SMRMEDIYPAVCKB-ZDUSSCGKSA-N 1 0 377.286 2.947 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@@]1(C)CC1(Br)Br ZINC000822100394 660340462 /nfs/dbraw/zinc/34/04/62/660340462.db2.gz CFXYCUCTTBPQEA-ZYHUDNBSSA-N 1 0 382.140 2.873 20 0 GFADRO CC[NH+]1CCN(c2ccc(CNC(=O)C[C@@]3(C)CC3(Cl)Cl)cn2)CC1 ZINC000822545695 660347585 /nfs/dbraw/zinc/34/75/85/660347585.db2.gz IFAQMCGMDVMSFA-KRWDZBQOSA-N 1 0 385.339 2.814 20 0 GFADRO CC[N@@H+]1CCCN(C(=O)C[C@@H]2C(=O)Nc3c2cccc3Br)[C@@H](C)C1 ZINC000822569974 660348163 /nfs/dbraw/zinc/34/81/63/660348163.db2.gz ZSLQJISQBXBAHO-JSGCOSHPSA-N 1 0 394.313 2.818 20 0 GFADRO C[N@H+](CC[C@H]1CC1(Cl)Cl)CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000822711693 660352425 /nfs/dbraw/zinc/35/24/25/660352425.db2.gz OAPXMGCPWHRQNS-ZDUSSCGKSA-N 1 0 394.343 2.581 20 0 GFADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)C(F)(F)c1ccccc1Br ZINC000822880204 660356400 /nfs/dbraw/zinc/35/64/00/660356400.db2.gz ZLLMEPJDPSUYBS-NEPJUHHUSA-N 1 0 389.240 2.520 20 0 GFADRO O=S(=O)(Cc1noc(C[C@H]2CC[NH2+]C2)n1)c1cc(Cl)ccc1Cl ZINC000822901467 660357330 /nfs/dbraw/zinc/35/73/30/660357330.db2.gz WYYSVHLYDPWPSO-SECBINFHSA-N 1 0 376.265 2.502 20 0 GFADRO COc1cc(Br)c(Cc2noc([C@@H]3C[C@@]34CC[NH2+]C4)n2)cc1OC ZINC000822909616 660357690 /nfs/dbraw/zinc/35/76/90/660357690.db2.gz CCYBYIFVXUCWAW-APPDUMDISA-N 1 0 394.269 2.907 20 0 GFADRO C[C@@H]([NH3+])[C@H](C)c1nc(Cc2nc3ccc(Br)cc3c(=O)[nH]2)no1 ZINC000822919394 660358109 /nfs/dbraw/zinc/35/81/09/660358109.db2.gz HAWWIGNAGKUQHV-JGVFFNPUSA-N 1 0 378.230 2.522 20 0 GFADRO CO[C@H](C[NH3+])Cc1nc(-c2ccc(Br)cc2OC(F)F)no1 ZINC000822980928 660359356 /nfs/dbraw/zinc/35/93/56/660359356.db2.gz RCCLQAGNXVNQMZ-QMMMGPOBSA-N 1 0 378.173 2.617 20 0 GFADRO CC[C@@H]1[NH2+]CC[C@@H]1c1nc(CC(=O)Nc2ccccc2Br)no1 ZINC000823075328 660361108 /nfs/dbraw/zinc/36/11/08/660361108.db2.gz PSXSXRAXNGEEIQ-JQWIXIFHSA-N 1 0 379.258 2.869 20 0 GFADRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC000823124117 660362550 /nfs/dbraw/zinc/36/25/50/660362550.db2.gz KJHRUXXCOYICLL-BBRMVZONSA-N 1 0 375.296 2.596 20 0 GFADRO Cc1nn(C)c(Cl)c1Cc1noc(C[C@H]([NH3+])c2cc(C)nc(Cl)c2)n1 ZINC000823146251 660363132 /nfs/dbraw/zinc/36/31/32/660363132.db2.gz NFICUELTIBGIQM-LBPRGKRZSA-N 1 0 381.267 2.955 20 0 GFADRO Brc1csc(Cc2noc(-c3cn([C@@H]4CCC[NH2+]C4)nn3)n2)c1 ZINC000823172911 660363940 /nfs/dbraw/zinc/36/39/40/660363940.db2.gz XCJTWUGOKGHQSC-SNVBAGLBSA-N 1 0 395.286 2.667 20 0 GFADRO COC[C@@]1(c2nc(Cc3c(F)ccc(Br)c3F)no2)CC[NH2+]C1 ZINC000823189583 660364306 /nfs/dbraw/zinc/36/43/06/660364306.db2.gz ILEMVUQXAZAGIC-OAHLLOKOSA-N 1 0 388.212 2.579 20 0 GFADRO Cn1c(-c2nc(N3CC[NH2+]CC3)no2)ccc1-c1ccccc1Br ZINC000823316559 660368274 /nfs/dbraw/zinc/36/82/74/660368274.db2.gz ZABUVCMECNUWKK-UHFFFAOYSA-N 1 0 388.269 2.914 20 0 GFADRO Fc1ccc(Br)cc1-c1noc(-c2cn([C@@H]3CCC[NH2+]C3)nn2)n1 ZINC000823248944 660366250 /nfs/dbraw/zinc/36/62/50/660366250.db2.gz ZBLYHWAELVAACY-SNVBAGLBSA-N 1 0 393.220 2.821 20 0 GFADRO C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)NCC1SCCS1 ZINC000823407222 660371331 /nfs/dbraw/zinc/37/13/31/660371331.db2.gz OUFOENRSDOFJBC-UHFFFAOYSA-N 1 0 375.510 2.844 20 0 GFADRO C[C@H]1C[C@H](C[NH2+]CCS(=O)(=O)C(C)(C)C)CCN1C(=O)OC(C)(C)C ZINC000823867065 660382027 /nfs/dbraw/zinc/38/20/27/660382027.db2.gz YBGYIDMRHILSKN-LSDHHAIUSA-N 1 0 376.563 2.825 20 0 GFADRO CON(C)C(=O)[C@H](CCSC)[NH2+]Cc1cc(F)cc(Br)c1 ZINC000824023490 660384034 /nfs/dbraw/zinc/38/40/34/660384034.db2.gz SIJQTKYYIUEARL-ZDUSSCGKSA-N 1 0 379.295 2.819 20 0 GFADRO O=C(CC1([NH+]2CCOCC2)CCCC1)OCc1ncsc1Br ZINC000824113939 660385896 /nfs/dbraw/zinc/38/58/96/660385896.db2.gz VLFMSYNVBCPZHJ-UHFFFAOYSA-N 1 0 389.315 2.984 20 0 GFADRO O=C1OCCN1C[C@@H]1CC[N@@H+](Cc2cccc(I)c2)C1 ZINC000824455861 660392483 /nfs/dbraw/zinc/39/24/83/660392483.db2.gz ZFCOTAZEYOYSAZ-CYBMUJFWSA-N 1 0 386.233 2.565 20 0 GFADRO C[C@@H](NC(=O)Nc1nc(-c2ncc(Cl)n2C)cs1)C1=CC[N@H+](C)CC1 ZINC000824503256 660394829 /nfs/dbraw/zinc/39/48/29/660394829.db2.gz QTBUIWYGJLEWHZ-SNVBAGLBSA-N 1 0 380.905 2.969 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)C[C@@H]1C(=O)Nc2ccc(Br)cc21 ZINC000824658683 660399044 /nfs/dbraw/zinc/39/90/44/660399044.db2.gz NWSPNPAKNLOAGG-JSGCOSHPSA-N 1 0 394.313 2.864 20 0 GFADRO Cc1c2cc(C(=O)NC[C@H]3C[N@@H+]4CCC[C@H]4CO3)[nH]c2ccc1Br ZINC000824733884 660400209 /nfs/dbraw/zinc/40/02/09/660400209.db2.gz SJBORABYPMFQHR-STQMWFEESA-N 1 0 392.297 2.832 20 0 GFADRO Cn1nc(C(=O)NCc2cccc(C[NH+]3CCCC3)c2)cc1Br ZINC000824853706 660403523 /nfs/dbraw/zinc/40/35/23/660403523.db2.gz JKYYPWFWPXALIY-UHFFFAOYSA-N 1 0 377.286 2.708 20 0 GFADRO C[C@]1(NC(=O)c2cc3ccc(Br)cc3c(=O)o2)C[NH+]2CCC1CC2 ZINC000824894648 660404206 /nfs/dbraw/zinc/40/42/06/660404206.db2.gz KFSLBXLOFHEIDE-SFHVURJKSA-N 1 0 391.265 2.770 20 0 GFADRO O=Cc1cc(C(=O)NCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)c(Cl)s1 ZINC000824942383 660405739 /nfs/dbraw/zinc/40/57/39/660405739.db2.gz WOUBUXIVXVPINQ-AWEZNQCLSA-N 1 0 378.881 2.711 20 0 GFADRO Cn1nccc1[C@@H]1C[C@H]([NH2+]Cc2nc3ccccn3c2Br)CCO1 ZINC000825045216 660408421 /nfs/dbraw/zinc/40/84/21/660408421.db2.gz CMNQLBITUBNVOW-DOMZBBRYSA-N 1 0 390.285 2.840 20 0 GFADRO Fc1cc(CNc2cc(N3CCOCC3)c(Br)c[nH+]2)c(F)cn1 ZINC000825311324 660420106 /nfs/dbraw/zinc/42/01/06/660420106.db2.gz IOVISQLYEDKTPK-UHFFFAOYSA-N 1 0 385.212 2.966 20 0 GFADRO COC(=O)[C@@H](c1ccc(Br)s1)N(C)C(=O)C1(C[NH+](C)C)CC1 ZINC000825381424 660423968 /nfs/dbraw/zinc/42/39/68/660423968.db2.gz PIAMWKLOGDTKLJ-GFCCVEGCSA-N 1 0 389.315 2.525 20 0 GFADRO C[C@@H]1CCC[C@@](CNC(=O)c2c(Br)nc3n2CCC3)([NH+](C)C)C1 ZINC000825384772 660424385 /nfs/dbraw/zinc/42/43/85/660424385.db2.gz VFLNVAZXXWOHEE-SJKOYZFVSA-N 1 0 383.334 2.832 20 0 GFADRO Cn1nc(C(=O)N(CC[NH+](C)C)Cc2ccccc2F)cc1Br ZINC000825400572 660425435 /nfs/dbraw/zinc/42/54/35/660425435.db2.gz QZGMEJXGJPYHLZ-UHFFFAOYSA-N 1 0 383.265 2.526 20 0 GFADRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)c1cc(Br)n(C)n1 ZINC000825643685 660435827 /nfs/dbraw/zinc/43/58/27/660435827.db2.gz JHUDCYMKOQHNQT-UHFFFAOYSA-N 1 0 379.302 2.907 20 0 GFADRO Cc1nc(SC(F)(F)F)sc1CC(=O)NCCC[NH+]1CCC(O)CC1 ZINC000826068758 660449083 /nfs/dbraw/zinc/44/90/83/660449083.db2.gz LOFZEHACZTVKON-UHFFFAOYSA-N 1 0 397.488 2.569 20 0 GFADRO CC[C@@H](Cc1ccc(Br)cc1)NC(=O)COC1CC[NH+](C)CC1 ZINC000826138839 660450755 /nfs/dbraw/zinc/45/07/55/660450755.db2.gz IFLZSYUYHLDDKQ-INIZCTEOSA-N 1 0 383.330 2.997 20 0 GFADRO C[C@H]1C[C@H](NC(=O)c2cc(Br)n(C)n2)CC[N@@H+]1Cc1ccccc1 ZINC000826721435 660462076 /nfs/dbraw/zinc/46/20/76/660462076.db2.gz GHDTXCZNXUCXLS-DZGCQCFKSA-N 1 0 391.313 2.966 20 0 GFADRO C[C@@H]1CN(CC[N@@H+]2CC[C@@]3(C)[C@@H](C2)C3(Br)Br)CCO1 ZINC000852336153 661861321 /nfs/dbraw/zinc/86/13/21/661861321.db2.gz WZQYRAWTPHLNSF-UPJWGTAASA-N 1 0 396.167 2.535 20 0 GFADRO C[C@]1(CC(=O)N[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2CO)CC1(Cl)Cl ZINC000827142793 660480967 /nfs/dbraw/zinc/48/09/67/660480967.db2.gz RMWBNFWNMDHWIK-NUJGCVRESA-N 1 0 385.335 2.960 20 0 GFADRO Cn1nc(Br)cc1CN1CC[C@@H]([N@H+](C)CCc2ccccc2)C1 ZINC000827179401 660482454 /nfs/dbraw/zinc/48/24/54/660482454.db2.gz XDMFKCDBQHQMIY-MRXNPFEDSA-N 1 0 377.330 2.931 20 0 GFADRO COc1cc(/C=C/C(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)cc(Br)c1O ZINC000827348029 660490379 /nfs/dbraw/zinc/49/03/79/660490379.db2.gz ZIDWGPMYIDRHOI-PRXHZCDDSA-N 1 0 395.297 2.729 20 0 GFADRO C[N@@H+]1CC[C@H]2CN(C(=O)c3c(O)cnc4c(Br)cccc43)CC[C@@H]21 ZINC000827255954 660486236 /nfs/dbraw/zinc/48/62/36/660486236.db2.gz VAPYRZNIMXZVQO-FZMZJTMJSA-N 1 0 390.281 2.869 20 0 GFADRO CC(=O)c1cc(Br)ccc1OCC(=O)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000827253387 660486293 /nfs/dbraw/zinc/48/62/93/660486293.db2.gz GYQMGVYPIZMCCQ-BBRMVZONSA-N 1 0 395.297 2.583 20 0 GFADRO COc1cc(Br)c(C(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)cc1OC ZINC000827256780 660486608 /nfs/dbraw/zinc/48/66/08/660486608.db2.gz XTPMMHOKPRPMSY-BXUZGUMPSA-N 1 0 383.286 2.633 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3cnc4ncc(Br)cc4c3)CC[C@@H]21 ZINC000827277403 660487563 /nfs/dbraw/zinc/48/75/63/660487563.db2.gz KSWFRAKGKUNCOJ-ABAIWWIYSA-N 1 0 375.270 2.559 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3cccc(F)c3I)CC[C@H]21 ZINC000827299210 660488103 /nfs/dbraw/zinc/48/81/03/660488103.db2.gz KABMHSLTXXETIJ-ZWNOBZJWSA-N 1 0 388.224 2.597 20 0 GFADRO C[N@@H+]1C[C@@]2(C)CN(C(=O)c3cc(Br)c4nccnc4c3)C[C@@]2(C)C1 ZINC000827598807 660504055 /nfs/dbraw/zinc/50/40/55/660504055.db2.gz USUWMMWGGBUIQN-HDICACEKSA-N 1 0 389.297 2.806 20 0 GFADRO CC(C)[C@@H](CC[NH2+][C@H]1CCC[C@@H](S(C)(=O)=O)C1)NC(=O)OC(C)(C)C ZINC000827638849 660506124 /nfs/dbraw/zinc/50/61/24/660506124.db2.gz CCCFJVDMFFBEOY-ARFHVFGLSA-N 1 0 376.563 2.871 20 0 GFADRO CO[C@@H](C)c1noc(CN2CCC[N@H+](C[C@@]3(C)CC3(Cl)Cl)CC2)n1 ZINC000828005980 660526081 /nfs/dbraw/zinc/52/60/81/660526081.db2.gz DTOPIQWDZSPQIL-SWLSCSKDSA-N 1 0 377.316 2.869 20 0 GFADRO CC(C)(C)[NH2+]CCC(=O)Nc1ccc(N2CC[C@@H](CO)C2)c(Br)c1 ZINC000828204689 660539461 /nfs/dbraw/zinc/53/94/61/660539461.db2.gz DDPLIFQCZVGCEV-CYBMUJFWSA-N 1 0 398.345 2.984 20 0 GFADRO CS[C@@H]1CN(C(=O)Nc2nnc(Cc3ccccc3)s2)C[C@@H]1[NH+](C)C ZINC000612748440 651768407 /nfs/dbraw/zinc/76/84/07/651768407.db2.gz FVIYWGJZJLVIKZ-UONOGXRCSA-N 1 0 377.539 2.638 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2csc(I)n2)[C@@H](C)C1 ZINC000828596447 660558902 /nfs/dbraw/zinc/55/89/02/660558902.db2.gz VOZCSZNITFRXEQ-GXSJLCMTSA-N 1 0 393.294 2.550 20 0 GFADRO Cn1c(C(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3C)cc2cc(Br)cnc21 ZINC000828958888 660576852 /nfs/dbraw/zinc/57/68/52/660576852.db2.gz JRUANZCUSPCGPE-KGLIPLIRSA-N 1 0 377.286 2.645 20 0 GFADRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)c1c(F)ccc(I)c1Cl ZINC000867970107 662589864 /nfs/dbraw/zinc/58/98/64/662589864.db2.gz XTXKYDAKFNPXML-OIBJUYFYSA-N 1 0 396.631 2.812 20 0 GFADRO CN(CC[NH+]1CC2(C1)CCOCC2)C(=O)Cc1ccc(F)cc1Br ZINC000829248134 660586508 /nfs/dbraw/zinc/58/65/08/660586508.db2.gz ZYQSCLMILVAQJV-UHFFFAOYSA-N 1 0 399.304 2.702 20 0 GFADRO COc1ccc(Br)cc1C1([NH2+]CC2CCS(=O)(=O)CC2)CC1 ZINC000829452133 660592948 /nfs/dbraw/zinc/59/29/48/660592948.db2.gz GUBZKZFKPQPKNQ-UHFFFAOYSA-N 1 0 388.327 2.861 20 0 GFADRO C[C@@]1([NH3+])CCN(C(=O)Cc2ccc(Br)c(Br)c2)C1 ZINC000868080097 662593845 /nfs/dbraw/zinc/59/38/45/662593845.db2.gz NUKNEZBQZUQIFM-CYBMUJFWSA-N 1 0 376.092 2.704 20 0 GFADRO CC(C)CN(CC1CC[NH+](C)CC1)C(=O)Cc1cc[nH]c(=O)c1Br ZINC000829588593 660601811 /nfs/dbraw/zinc/60/18/11/660601811.db2.gz IVEFSDZQOUMQHA-UHFFFAOYSA-N 1 0 398.345 2.919 20 0 GFADRO COC1CC[NH+](CCNC(=O)C(F)(F)c2ccc(Br)cc2)CC1 ZINC000829795148 660614528 /nfs/dbraw/zinc/61/45/28/660614528.db2.gz FQWHHUXYABHEDS-UHFFFAOYSA-N 1 0 391.256 2.768 20 0 GFADRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)Nc1ccn(-c2ccc(Br)cc2)n1 ZINC000625890421 652375114 /nfs/dbraw/zinc/37/51/14/652375114.db2.gz HYHGWBGSMPBCFN-UONOGXRCSA-N 1 0 378.274 2.897 20 0 GFADRO CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1([NH3+])C(=O)NC[C@H](O)c1c(Cl)cccc1Cl ZINC000830284618 660646824 /nfs/dbraw/zinc/64/68/24/660646824.db2.gz JWNSASWDLGWRNW-NWKHNLPSSA-N 1 0 387.307 2.676 20 0 GFADRO CC(=O)N(CCCCCCC[NH3+])S(=O)(=O)c1ccc(Br)cc1 ZINC000830374447 660651143 /nfs/dbraw/zinc/65/11/43/660651143.db2.gz KRZXWRDXAYQIQV-UHFFFAOYSA-N 1 0 391.331 2.896 20 0 GFADRO CN(C)C(=O)O[C@H]1CC[N@H+](C[C@@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000830488544 660659095 /nfs/dbraw/zinc/65/90/95/660659095.db2.gz XIPIHKXVJZSXQF-OLZOCXBDSA-N 1 0 377.268 2.506 20 0 GFADRO [NH3+]CCCCCCNC(=O)NCc1cnn(-c2ccc(Br)cc2)c1 ZINC000831156384 660700288 /nfs/dbraw/zinc/70/02/88/660700288.db2.gz WQSISBMEJAGHSI-UHFFFAOYSA-N 1 0 394.317 2.953 20 0 GFADRO CC[NH+](CC)C[C@@H](C)NS(=O)(=O)c1cnc(Cl)c(Br)c1 ZINC000831190673 660702728 /nfs/dbraw/zinc/70/27/28/660702728.db2.gz FPSMZKXYYPGPKP-SECBINFHSA-N 1 0 384.727 2.506 20 0 GFADRO C[C@@H](NC(=O)C[C@@H]([NH3+])C1CC1)c1nc(-c2ccc(Br)cc2)no1 ZINC000831337418 660708374 /nfs/dbraw/zinc/70/83/74/660708374.db2.gz UNTMPFDJRBCUEB-NOZJJQNGSA-N 1 0 379.258 2.804 20 0 GFADRO COc1ccc(NC(=O)NC[C@@H](C)C[NH+](C)C)c(I)c1 ZINC000888029975 663176017 /nfs/dbraw/zinc/17/60/17/663176017.db2.gz RDANYMILVNLSSB-SNVBAGLBSA-N 1 0 391.253 2.619 20 0 GFADRO CCO[C@@H](CNC(=O)c1ccccc1CSC1=NCCS1)C[NH+](C)C ZINC000831766468 660725421 /nfs/dbraw/zinc/72/54/21/660725421.db2.gz QOPDYCPSVAILEU-HNNXBMFYSA-N 1 0 381.567 2.719 20 0 GFADRO C[N@H+](C[C@@H](O)COCc1ccco1)C[C@@H](O)c1ccccc1Br ZINC000832672376 660793747 /nfs/dbraw/zinc/79/37/47/660793747.db2.gz JLLVCSISTFVIST-CXAGYDPISA-N 1 0 384.270 2.585 20 0 GFADRO C[N@H+](C[C@@H](O)COCc1ccco1)C[C@H](O)c1ccccc1Br ZINC000832672380 660793815 /nfs/dbraw/zinc/79/38/15/660793815.db2.gz JLLVCSISTFVIST-DYVFJYSZSA-N 1 0 384.270 2.585 20 0 GFADRO CC(C)[C@@H](C[NH2+][C@@H](C)c1nc(Br)cs1)N1CCN(C)CC1 ZINC000834502819 660822748 /nfs/dbraw/zinc/82/27/48/660822748.db2.gz UJCBJXUJZNCEQK-QWHCGFSZSA-N 1 0 375.380 2.828 20 0 GFADRO CC(C)[N@@H+]1CC[C@@H](C(=O)NCc2ncc(Cl)s2)[C@@H](c2cnn(C)c2)C1 ZINC000834542188 660824028 /nfs/dbraw/zinc/82/40/28/660824028.db2.gz FKQCUNRUCPYBRJ-ZIAGYGMSSA-N 1 0 381.933 2.660 20 0 GFADRO CCS(=O)(=O)CC[NH2+][C@H](C)c1ccc(F)c(I)c1 ZINC000834562644 660824858 /nfs/dbraw/zinc/82/48/58/660824858.db2.gz UBPNFLIWWQVCGJ-SECBINFHSA-N 1 0 385.242 2.516 20 0 GFADRO Cc1ccc(-n2nc(Br)cc2C(=O)N[C@H](CC[NH3+])C(F)F)cc1 ZINC000834829427 660834521 /nfs/dbraw/zinc/83/45/21/660834521.db2.gz AVZHTBHXBXDNHE-LLVKDONJSA-N 1 0 387.228 2.656 20 0 GFADRO Nc1nc(N2CCC[C@@H](OC(=O)c3ccsc3Br)C2)cc[nH+]1 ZINC000835371815 660853583 /nfs/dbraw/zinc/85/35/83/660853583.db2.gz NWFLKJVHHSRHEI-SECBINFHSA-N 1 0 383.271 2.709 20 0 GFADRO CN1CCC(CNC(=O)NC[C@@]2(C)CC2(Cl)Cl)([NH+]2CCCCC2)CC1 ZINC000836589567 660918581 /nfs/dbraw/zinc/91/85/81/660918581.db2.gz NJKVKELMQSIOGV-MRXNPFEDSA-N 1 0 391.387 2.820 20 0 GFADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NCC[C@]1(C)CC1(Cl)Cl ZINC000836624901 660922949 /nfs/dbraw/zinc/92/29/49/660922949.db2.gz SUMBNKIBJADCRP-XJKSGUPXSA-N 1 0 378.344 2.855 20 0 GFADRO C[NH+]1CCN(c2ccc(Br)cc2NC(=O)c2ccccn2)CC1 ZINC000021843046 654530370 /nfs/dbraw/zinc/53/03/70/654530370.db2.gz DRZLAYGDGBIOBX-UHFFFAOYSA-N 1 0 375.270 2.848 20 0 GFADRO CC[C@@H]1C[N@H+](CC)CCN1C(=O)C[C@@](O)(c1nc(C)cs1)C(F)(F)F ZINC000836947712 660958725 /nfs/dbraw/zinc/95/87/25/660958725.db2.gz KYBYIOUEHWSBLT-IUODEOHRSA-N 1 0 379.448 2.534 20 0 GFADRO CC[C@H]1C[N@H+](CC)CCN1C(=O)C[C@@](O)(c1nc(C)cs1)C(F)(F)F ZINC000836947713 660958935 /nfs/dbraw/zinc/95/89/35/660958935.db2.gz KYBYIOUEHWSBLT-SWLSCSKDSA-N 1 0 379.448 2.534 20 0 GFADRO CC(=O)N(c1nn(CN2CC[NH+](C3CCCC3)CC2)c(=S)s1)C1CC1 ZINC000026628709 654558116 /nfs/dbraw/zinc/55/81/16/654558116.db2.gz VFKKEHRKJBNUTN-UHFFFAOYSA-N 1 0 381.571 2.707 20 0 GFADRO CC[NH+]1CCC(N(C)S(=O)(=O)c2ccc(C)cc2Br)CC1 ZINC000027970901 654567748 /nfs/dbraw/zinc/56/77/48/654567748.db2.gz QZTRLMJBEKKUIF-UHFFFAOYSA-N 1 0 375.332 2.862 20 0 GFADRO Cn1nnc(Br)c1C(=O)N1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000837062377 660968237 /nfs/dbraw/zinc/96/82/37/660968237.db2.gz YKZMFSYYBZRWHD-UHFFFAOYSA-N 1 0 386.338 2.550 20 0 GFADRO CC[C@H]1CCC[N@H+](CC(=O)NCC(=O)Nc2ccccc2Br)C1 ZINC000030143284 654582679 /nfs/dbraw/zinc/58/26/79/654582679.db2.gz JHMJFYVGJUSNSX-ZDUSSCGKSA-N 1 0 382.302 2.626 20 0 GFADRO C[NH+](C)Cc1cccc(CNC(=O)c2ccc(Cl)c(S(C)(=O)=O)c2)c1 ZINC000033084200 654609309 /nfs/dbraw/zinc/60/93/09/654609309.db2.gz WHPUCAFMFUEUQA-UHFFFAOYSA-N 1 0 380.897 2.735 20 0 GFADRO CN(C[C@H](O)c1ccccc1Br)C(=O)c1ccc(C[NH+](C)C)nc1 ZINC000837160918 660975257 /nfs/dbraw/zinc/97/52/57/660975257.db2.gz YAHRBLLBBPYQSQ-KRWDZBQOSA-N 1 0 392.297 2.711 20 0 GFADRO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)Nc1c(C)cc(Br)cc1C ZINC000041604840 654627793 /nfs/dbraw/zinc/62/77/93/654627793.db2.gz VJPWRCIITAIYHD-CYBMUJFWSA-N 1 0 384.318 2.851 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)C(=O)NC[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000041653978 654629109 /nfs/dbraw/zinc/62/91/09/654629109.db2.gz ORTKFMKKEYHTIR-JSGCOSHPSA-N 1 0 396.329 2.933 20 0 GFADRO C[NH+](C)Cc1cccc(NC(=O)C(=O)NCc2csc(Br)c2)c1 ZINC000041999202 654634207 /nfs/dbraw/zinc/63/42/07/654634207.db2.gz SYQZODPQEOOCCT-UHFFFAOYSA-N 1 0 396.310 2.827 20 0 GFADRO COc1cccc([C@H](CNC(=O)c2nc(SC)ncc2Cl)[NH+](C)C)c1 ZINC000042023206 654634584 /nfs/dbraw/zinc/63/45/84/654634584.db2.gz HWLLCTYOBOJMJM-AWEZNQCLSA-N 1 0 380.901 2.893 20 0 GFADRO C#CCOc1ccc(Br)cc1C[NH2+]C1CCN(C(=O)C2CC2)CC1 ZINC000042209489 654635927 /nfs/dbraw/zinc/63/59/27/654635927.db2.gz NJYLBZQLJCRIEG-UHFFFAOYSA-N 1 0 391.309 2.952 20 0 GFADRO Cc1cc(Br)oc1C(=O)Nc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000044505455 654658750 /nfs/dbraw/zinc/65/87/50/654658750.db2.gz LUXRTGDCWIBFHL-UHFFFAOYSA-N 1 0 394.269 2.894 20 0 GFADRO C[C@@H]1C[NH+](CCCNC(=O)NCc2cc(Br)cs2)C[C@@H](C)O1 ZINC000045455086 654668555 /nfs/dbraw/zinc/66/85/55/654668555.db2.gz SDGKLVYTJHBZKL-VXGBXAGGSA-N 1 0 390.347 2.809 20 0 GFADRO C[C@@H](CNC(=O)NNC(=O)c1ccccc1Br)[N@@H+]1CCCC[C@@H]1C ZINC000046339801 654679397 /nfs/dbraw/zinc/67/93/97/654679397.db2.gz AMACITWQTMFLGU-STQMWFEESA-N 1 0 397.317 2.656 20 0 GFADRO O=C(CSc1nncn1-c1cccc(Cl)c1)NCC[NH+]1CCCCC1 ZINC000046853430 654686688 /nfs/dbraw/zinc/68/66/88/654686688.db2.gz GIJQOXONEVOPRC-UHFFFAOYSA-N 1 0 379.917 2.615 20 0 GFADRO CC[N@@H+]1CC[C@H](CNC(=O)Nc2cc3c(cc2Br)OCCO3)C1 ZINC000046956708 654688220 /nfs/dbraw/zinc/68/82/20/654688220.db2.gz BYJIYLUMAGYTOM-LLVKDONJSA-N 1 0 384.274 2.684 20 0 GFADRO CC[NH+]1CCN([C@@H](C)CNC(=O)C2(c3ccc(Br)cc3)CC2)CC1 ZINC000046946562 654688233 /nfs/dbraw/zinc/68/82/33/654688233.db2.gz GKEKSAKBRSNPHT-HNNXBMFYSA-N 1 0 394.357 2.623 20 0 GFADRO C[NH+]1CCN(Cc2ccc(CNC(=O)c3ccc(Br)o3)cc2)CC1 ZINC000047284842 654692233 /nfs/dbraw/zinc/69/22/33/654692233.db2.gz OZSPYPIVKROVCR-UHFFFAOYSA-N 1 0 392.297 2.720 20 0 GFADRO CN(Cc1csc(C(C)(C)O)n1)C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000837345119 660988063 /nfs/dbraw/zinc/98/80/63/660988063.db2.gz LCAPCNLBSNMEDS-ZDUSSCGKSA-N 1 0 382.555 2.876 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(-n2cc(Br)cn2)cc1 ZINC000047431169 654694574 /nfs/dbraw/zinc/69/45/74/654694574.db2.gz QVQNYUOIJPAJLI-MRXNPFEDSA-N 1 0 377.286 2.849 20 0 GFADRO CC[NH+](CC)[C@H](CNC(=O)NC[C@@H](O)C(F)(F)F)c1ccccc1Cl ZINC000048740639 654712496 /nfs/dbraw/zinc/71/24/96/654712496.db2.gz DELHGVTZMSTQRW-ZIAGYGMSSA-N 1 0 381.826 2.945 20 0 GFADRO Cc1c(Br)cccc1NC(=O)C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000121990687 654727256 /nfs/dbraw/zinc/72/72/56/654727256.db2.gz PBEBAFKTKLNXDS-CZUORRHYSA-N 1 0 394.313 2.639 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)CCS(=O)(=O)c2ccc(Cl)cc2)[C@H](C)C1 ZINC000122310454 654733328 /nfs/dbraw/zinc/73/33/28/654733328.db2.gz CRKLPLAVQYOFOU-RHSMWYFYSA-N 1 0 386.945 2.693 20 0 GFADRO CC[NH+]1CCN(C[C@@H](C)CNS(=O)(=O)c2ccc(C(C)(C)C)s2)CC1 ZINC000122336410 654734496 /nfs/dbraw/zinc/73/44/96/654734496.db2.gz FRPXTXCPBLBWQK-HNNXBMFYSA-N 1 0 387.615 2.598 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)C(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000122423802 654736268 /nfs/dbraw/zinc/73/62/68/654736268.db2.gz FMEFATNRHBUDRI-GFCCVEGCSA-N 1 0 382.302 2.544 20 0 GFADRO Cc1csc(=O)n1CC[N@@H+]1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000052829679 654740166 /nfs/dbraw/zinc/74/01/66/654740166.db2.gz WPOAIFZLFIKEGU-CYBMUJFWSA-N 1 0 380.901 2.617 20 0 GFADRO Cc1ccc(Br)c(NC(=O)C(=O)NC[C@@H](CC(C)C)[NH+](C)C)c1 ZINC000122598989 654740118 /nfs/dbraw/zinc/74/01/18/654740118.db2.gz CATZHZCQUAFGPL-CYBMUJFWSA-N 1 0 384.318 2.789 20 0 GFADRO COc1cc(C(=O)N2CC[NH+](CC(C)C)CC2)cc(OC)c1Br ZINC000052840425 654740361 /nfs/dbraw/zinc/74/03/61/654740361.db2.gz WGDOGFSTEJTLNK-UHFFFAOYSA-N 1 0 385.302 2.880 20 0 GFADRO CC(C)[C@H](CNC(=O)NCC[C@]1(C)CC1(Cl)Cl)[NH+]1CCN(C)CC1 ZINC000837443372 660997846 /nfs/dbraw/zinc/99/78/46/660997846.db2.gz MYDOUJKZLBWSMN-GOEBONIOSA-N 1 0 379.376 2.532 20 0 GFADRO Cc1ccc(NC(=O)C(=O)NC[C@@H](C(C)C)[NH+]2CCCC2)c(Br)c1 ZINC000122828354 654743922 /nfs/dbraw/zinc/74/39/22/654743922.db2.gz KASHVGUJXDQDGP-INIZCTEOSA-N 1 0 396.329 2.933 20 0 GFADRO C[C@H]1C[C@H](N(C)C(=O)c2ccc(F)cc2I)CC[N@@H+]1C ZINC000123056680 654751722 /nfs/dbraw/zinc/75/17/22/654751722.db2.gz BYJQHZSICGGDQO-CMPLNLGQSA-N 1 0 390.240 2.985 20 0 GFADRO C[C@@H]1C[C@@H](N(C)C(=O)c2cc(Br)c3c(c2)OCCO3)CC[N@@H+]1C ZINC000123240568 654753991 /nfs/dbraw/zinc/75/39/91/654753991.db2.gz UFHSRAJROKQDMU-YPMHNXCESA-N 1 0 383.286 2.775 20 0 GFADRO NC(=O)C1CC[NH+](Cc2cccc(NC(=O)c3scnc3Cl)c2)CC1 ZINC000054082823 654755820 /nfs/dbraw/zinc/75/58/20/654755820.db2.gz CLIVZQDNSDLLMK-UHFFFAOYSA-N 1 0 378.885 2.746 20 0 GFADRO Cc1ccc(NC(=O)C(=O)N[C@H](C)C[NH+]2CCCCC2)c(Br)c1 ZINC000123956812 654766827 /nfs/dbraw/zinc/76/68/27/654766827.db2.gz YDPIBCKUQUUKFJ-CYBMUJFWSA-N 1 0 382.302 2.687 20 0 GFADRO C[C@@H](Cn1cc(Br)cn1)[NH2+][C@H](CO)Cc1c[nH]c2ccccc12 ZINC000124041313 654769330 /nfs/dbraw/zinc/76/93/30/654769330.db2.gz NTJUUDXGVDJQET-WFASDCNBSA-N 1 0 377.286 2.709 20 0 GFADRO C[NH+]1CCN(c2ccc(NC(=O)c3ccc(Br)s3)cn2)CC1 ZINC000055148524 654769540 /nfs/dbraw/zinc/76/95/40/654769540.db2.gz HKNRRMAXOLPKGQ-UHFFFAOYSA-N 1 0 381.299 2.910 20 0 GFADRO C[N@@H+]1CCC[C@@H]2CN(Cn3nc(Br)c(=O)c4ccccc43)CC[C@@H]21 ZINC000124326613 654774357 /nfs/dbraw/zinc/77/43/57/654774357.db2.gz XEJLJECEGUYMRL-HIFRSBDPSA-N 1 0 391.313 2.533 20 0 GFADRO C[NH+](C)C[C@@](C)(O)CNC(=O)NCC(C)(C)c1ccc(Cl)c(Cl)c1 ZINC000124351248 654774941 /nfs/dbraw/zinc/77/49/41/654774941.db2.gz PTAZCKYEFZXPIF-KRWDZBQOSA-N 1 0 376.328 2.883 20 0 GFADRO COc1cc(C(=O)NC[C@H](C)C[NH+]2CCCC2)cc(OC)c1Br ZINC000055539524 654776208 /nfs/dbraw/zinc/77/62/08/654776208.db2.gz CNANGTZGTXHGQT-LBPRGKRZSA-N 1 0 385.302 2.928 20 0 GFADRO COC(=O)c1cc(S(=O)(=O)N[C@](C)(C[NH3+])CC(C)C)c(Cl)cc1Cl ZINC000124461884 654776193 /nfs/dbraw/zinc/77/61/93/654776193.db2.gz LGGQKHNDVHUHTC-HNNXBMFYSA-N 1 0 397.324 2.822 20 0 GFADRO CC(=O)Nc1cc(F)c(S(=O)(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)cc1Cl ZINC000126041284 654807700 /nfs/dbraw/zinc/80/77/00/654807700.db2.gz QGIKRPPABHGFJH-JTQLQIEISA-N 1 0 393.912 2.692 20 0 GFADRO C[N@H+](CCCOCC(F)(F)F)CCCOc1cccc(S(C)(=O)=O)c1 ZINC000057909471 654811528 /nfs/dbraw/zinc/81/15/28/654811528.db2.gz UOMIQNGBVKCQHC-UHFFFAOYSA-N 1 0 383.432 2.760 20 0 GFADRO CC[N@H+](C)CCNC(=O)C(=O)Nc1cc(C)ccc1SCC(F)(F)F ZINC000126360509 654813117 /nfs/dbraw/zinc/81/31/17/654813117.db2.gz HMZBEEOIAGGREL-UHFFFAOYSA-N 1 0 377.432 2.656 20 0 GFADRO CC[NH+]1CCN(CCCNC(=O)CCc2ccccc2Br)CC1 ZINC000058877567 654823530 /nfs/dbraw/zinc/82/35/30/654823530.db2.gz FOSUBBCLUSRWHS-UHFFFAOYSA-N 1 0 382.346 2.526 20 0 GFADRO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@@H](C)CCS(C)(=O)=O ZINC000127397647 654828846 /nfs/dbraw/zinc/82/88/46/654828846.db2.gz YUANZIKSNOVUCX-NWDGAFQWSA-N 1 0 391.331 2.579 20 0 GFADRO CC(C)(C)[NH2+]CCNC(=O)C(=O)Nc1cc(F)ccc1SCC(F)F ZINC000127861802 654836179 /nfs/dbraw/zinc/83/61/79/654836179.db2.gz XCSSUKJJZKMHKY-UHFFFAOYSA-N 1 0 377.432 2.626 20 0 GFADRO CC[NH+](CC)[C@@H]1CCN(S(=O)(=O)c2cc(C)ccc2Br)C1 ZINC000127932337 654837654 /nfs/dbraw/zinc/83/76/54/654837654.db2.gz ILKPSMMZWATWGA-CYBMUJFWSA-N 1 0 375.332 2.862 20 0 GFADRO C[C@@H]1C[C@H](NS(=O)(=O)Cc2ccc(Cl)nc2)C[N@@H+]1Cc1ccccc1 ZINC000128145127 654841734 /nfs/dbraw/zinc/84/17/34/654841734.db2.gz SEEMWBMBVSQNET-PBHICJAKSA-N 1 0 379.913 2.817 20 0 GFADRO C[C@H]1C[C@H](NS(=O)(=O)Cc2ccc(Cl)nc2)C[N@@H+]1Cc1ccccc1 ZINC000128145354 654841748 /nfs/dbraw/zinc/84/17/48/654841748.db2.gz SEEMWBMBVSQNET-YOEHRIQHSA-N 1 0 379.913 2.817 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)C(=O)NC[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000062121252 654843757 /nfs/dbraw/zinc/84/37/57/654843757.db2.gz ORTKFMKKEYHTIR-TZMCWYRMSA-N 1 0 396.329 2.933 20 0 GFADRO COCCC[NH+]1CCC(NC(=O)Nc2ccc(Br)c(C)n2)CC1 ZINC000128367637 654844770 /nfs/dbraw/zinc/84/47/70/654844770.db2.gz DKQAOCOLIKJJFG-UHFFFAOYSA-N 1 0 385.306 2.775 20 0 GFADRO O=C(C[NH2+][C@@H]1CCCC[C@@H]1n1cccn1)Nc1ccc(Br)cn1 ZINC000128861704 654853332 /nfs/dbraw/zinc/85/33/32/654853332.db2.gz NLWAQJMVTQOEEM-KGLIPLIRSA-N 1 0 378.274 2.753 20 0 GFADRO O[C@@H](C[NH2+]Cc1cc(Br)ccc1F)COc1ccc2c(c1)OCO2 ZINC000063523771 654853810 /nfs/dbraw/zinc/85/38/10/654853810.db2.gz XINUBPZKPJYMLT-ZDUSSCGKSA-N 1 0 398.228 2.846 20 0 GFADRO C[NH+]1CCN(CCNC(=O)c2[nH]c3ccc(Br)cc3c2Cl)CC1 ZINC000063695644 654856267 /nfs/dbraw/zinc/85/62/67/654856267.db2.gz SGZNJXYNFVDPSA-UHFFFAOYSA-N 1 0 399.720 2.561 20 0 GFADRO C[C@H]([NH2+]Cc1nc(-c2cccc(Br)c2)c[nH]1)[C@@H]1CN(C)CCO1 ZINC000129119059 654857381 /nfs/dbraw/zinc/85/73/81/654857381.db2.gz VMJMIVVZWXPUOS-LRDDRELGSA-N 1 0 379.302 2.648 20 0 GFADRO COC(=O)C1CC[NH+](CCCNC(=O)c2cc(Br)ccc2C)CC1 ZINC000266112914 654857692 /nfs/dbraw/zinc/85/76/92/654857692.db2.gz UNWZAIXCZNAZSG-UHFFFAOYSA-N 1 0 397.313 2.762 20 0 GFADRO COc1cc(C[NH2+][C@H]2CCSC2)cc(I)c1OC ZINC000266178319 654861110 /nfs/dbraw/zinc/86/11/10/654861110.db2.gz UOIJYMLQYDDMSG-JTQLQIEISA-N 1 0 379.263 2.904 20 0 GFADRO COCC[N@H+]1[C@H](C)CN([C@@H](C)C(=O)Nc2ccccc2Br)C[C@@H]1C ZINC000129284777 654862067 /nfs/dbraw/zinc/86/20/67/654862067.db2.gz GSHXGWXNUPXAGS-ZNMIVQPWSA-N 1 0 398.345 2.817 20 0 GFADRO C[C@@H]1C[C@H](N(C)S(=O)(=O)c2ccc(OCC(F)(F)F)cc2)CC[N@@H+]1C ZINC000266263412 654867225 /nfs/dbraw/zinc/86/72/25/654867225.db2.gz ZYYJOGYRZBWLJI-CHWSQXEVSA-N 1 0 380.432 2.731 20 0 GFADRO C[C@H]([NH2+][C@@H](C)[C@H]1CCOC1)C(=O)Nc1cccc(I)c1 ZINC000266281683 654868821 /nfs/dbraw/zinc/86/88/21/654868821.db2.gz GPIVTYNXUXRNHH-SRVKXCTJSA-N 1 0 388.249 2.633 20 0 GFADRO CC[N@H+](CC(=O)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1)[C@H](C)C(C)C ZINC000065298764 654879974 /nfs/dbraw/zinc/87/99/74/654879974.db2.gz APKUQGHXRKRBKM-HZPDHXFCSA-N 1 0 386.583 2.630 20 0 GFADRO C[C@@H](CNC(=O)C(=O)Nc1ccc(Br)cc1)[NH+]1CCC(C)CC1 ZINC000065601987 654881923 /nfs/dbraw/zinc/88/19/23/654881923.db2.gz MOQZNGOBGLVAJF-ZDUSSCGKSA-N 1 0 382.302 2.624 20 0 GFADRO CC(C)[N@H+](C)CCCNC(=O)C(=O)Nc1c(F)cc(Br)cc1F ZINC000266582027 654886086 /nfs/dbraw/zinc/88/60/86/654886086.db2.gz RNBIGWRMQGOSGY-UHFFFAOYSA-N 1 0 392.244 2.512 20 0 GFADRO COc1ccc(C[NH2+]CCC(=O)NCc2cccnc2)cc1Br ZINC000065935756 654890818 /nfs/dbraw/zinc/89/08/18/654890818.db2.gz UEDPGQJLINHYOV-UHFFFAOYSA-N 1 0 378.270 2.649 20 0 GFADRO C[NH+](C)CCN1C[C@@H](C(=O)Nc2cccc(C3SCCS3)c2)CC1=O ZINC000266780920 654893697 /nfs/dbraw/zinc/89/36/97/654893697.db2.gz CEDOGVXBNRHDEI-AWEZNQCLSA-N 1 0 379.551 2.514 20 0 GFADRO COc1cc(C[NH2+]C[C@@H](O)COc2ccccc2Br)cc(OC)c1 ZINC000130968681 654894526 /nfs/dbraw/zinc/89/45/26/654894526.db2.gz LWXGTPYCCZJIDH-CQSZACIVSA-N 1 0 396.281 2.996 20 0 GFADRO CC[C@@H](C)[N@H+](C)CCNC(=O)NCC(=O)Nc1ccc(Br)cc1C ZINC000066175091 654896325 /nfs/dbraw/zinc/89/63/25/654896325.db2.gz WOSYKCVDKUFWPF-CYBMUJFWSA-N 1 0 399.333 2.726 20 0 GFADRO C[C@H](Oc1cccc(Br)c1)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000266967501 654901182 /nfs/dbraw/zinc/90/11/82/654901182.db2.gz PVYLOGJLIRFRRV-AWEZNQCLSA-N 1 0 397.313 2.540 20 0 GFADRO C[C@H](C(=O)NCc1nc2cc(Br)cnc2[nH]1)[NH+]1[C@H](C)CC[C@H]1C ZINC000267158966 654914160 /nfs/dbraw/zinc/91/41/60/654914160.db2.gz KAKFHQUVLCUHQK-GMTAPVOTSA-N 1 0 380.290 2.598 20 0 GFADRO O=C(NCc1ccccc1C[NH+]1CCC(O)CC1)c1coc(Br)c1 ZINC000267190767 654915831 /nfs/dbraw/zinc/91/58/31/654915831.db2.gz KAHDUBAHGXFEKC-UHFFFAOYSA-N 1 0 393.281 2.929 20 0 GFADRO CCS(=O)(=O)NCCC[N@@H+]1CCC[C@@H]1Cc1ccc(Br)cc1 ZINC000131768846 654917455 /nfs/dbraw/zinc/91/74/55/654917455.db2.gz BGRQERKRPQSMOL-MRXNPFEDSA-N 1 0 389.359 2.785 20 0 GFADRO CCC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2ccc(NC(C)=O)c(Cl)c2)C1 ZINC000267245189 654919772 /nfs/dbraw/zinc/91/97/72/654919772.db2.gz UDFZFZRRQLCSQI-AWEZNQCLSA-N 1 0 387.933 2.651 20 0 GFADRO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)c1ccc(NC(C)=O)c(Cl)c1 ZINC000267258536 654920600 /nfs/dbraw/zinc/92/06/00/654920600.db2.gz WFLKUGIFNYDTGF-KBPBESRZSA-N 1 0 385.917 2.546 20 0 GFADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)c2c(F)cccc2Br)CC1 ZINC000267275393 654921572 /nfs/dbraw/zinc/92/15/72/654921572.db2.gz UAPPBBXXUSSJFY-ZDUSSCGKSA-N 1 0 386.309 2.592 20 0 GFADRO [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)CCCSc2ccc(Cl)cc2)C1 ZINC000131972659 654923479 /nfs/dbraw/zinc/92/34/79/654923479.db2.gz BAFAYIOVPHAFBZ-AWEZNQCLSA-N 1 0 383.945 2.526 20 0 GFADRO Cc1ccc(NC(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)cc1Br ZINC000267475599 654930323 /nfs/dbraw/zinc/93/03/23/654930323.db2.gz WHXKBSROOVKMAG-AWEZNQCLSA-N 1 0 382.302 2.944 20 0 GFADRO CC(=O)NC[C@H]1CCC[N@H+](C[C@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000067412139 654938193 /nfs/dbraw/zinc/93/81/93/654938193.db2.gz FENKLGDDEYWIFJ-HIFRSBDPSA-N 1 0 375.296 2.581 20 0 GFADRO C[C@H]1C[N@H+](CCC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2Cl)C[C@H]1C ZINC000267818474 654947540 /nfs/dbraw/zinc/94/75/40/654947540.db2.gz OGBOLMJKGGDOPW-BETUJISGSA-N 1 0 387.933 2.507 20 0 GFADRO C[N@@H+](Cc1cccc(Br)c1)C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000267907686 654951453 /nfs/dbraw/zinc/95/14/53/654951453.db2.gz DWBKARUJNMHBCC-CQSZACIVSA-N 1 0 375.332 2.553 20 0 GFADRO C[NH+]1CCN(c2cc(C(=O)NCc3ccc(Br)s3)ccn2)CC1 ZINC000068394004 654961486 /nfs/dbraw/zinc/96/14/86/654961486.db2.gz LGVFVCOBDCSRSD-UHFFFAOYSA-N 1 0 395.326 2.587 20 0 GFADRO O[C@@H](C[NH2+]C1(c2cccc(Br)c2)CCCCC1)CN1CCOCC1 ZINC000133384621 654962679 /nfs/dbraw/zinc/96/26/79/654962679.db2.gz ZTFCCMLYXWSQHN-SFHVURJKSA-N 1 0 397.357 2.891 20 0 GFADRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1ccc(F)cc1I ZINC000268293193 654966151 /nfs/dbraw/zinc/96/61/51/654966151.db2.gz ZSTMYYMRFLHTHX-OTYXRUKQSA-N 1 0 388.224 2.643 20 0 GFADRO COc1cccc([C@@H](C[NH2+][C@@H](C)Cn2cc(Br)cn2)N(C)C)c1 ZINC000133685724 654970801 /nfs/dbraw/zinc/97/08/01/654970801.db2.gz REHFHNQMDQWLQD-SUMWQHHRSA-N 1 0 381.318 2.935 20 0 GFADRO CC(C)[N@@H+]1CC[C@H](CNC(=O)C[C@H]2Sc3ccc(Cl)cc3NC2=O)C1 ZINC000068974635 654970905 /nfs/dbraw/zinc/97/09/05/654970905.db2.gz BERIKNHCLQJBRY-MLGOLLRUSA-N 1 0 381.929 2.989 20 0 GFADRO CCS(=O)(=O)NCCC[N@@H+]1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000133715639 654971521 /nfs/dbraw/zinc/97/15/21/654971521.db2.gz MSSBGMQYWMDNKH-ZDUSSCGKSA-N 1 0 381.325 2.776 20 0 GFADRO C[NH+]1CCN(C[C@@H](NS(=O)(=O)c2ccc(Cl)s2)c2ccccc2)CC1 ZINC000069126755 654974378 /nfs/dbraw/zinc/97/43/78/654974378.db2.gz JNQGVUJFANSGQM-OAHLLOKOSA-N 1 0 399.969 2.669 20 0 GFADRO CCC[NH+]1CCC(NC(=O)N(C)C[C@@H](O)c2ccccc2Br)CC1 ZINC000838493094 661047589 /nfs/dbraw/zinc/04/75/89/661047589.db2.gz URTHHMSGYMXOCK-QGZVFWFLSA-N 1 0 398.345 2.998 20 0 GFADRO C[C@H]1C[C@H](N(C)C(=O)c2cc(I)ccc2F)CC[N@@H+]1C ZINC000268547316 654977432 /nfs/dbraw/zinc/97/74/32/654977432.db2.gz VLAQUSFWQWHNFB-CMPLNLGQSA-N 1 0 390.240 2.985 20 0 GFADRO CC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc(Br)cc1-n1cncn1 ZINC000134191811 654985648 /nfs/dbraw/zinc/98/56/48/654985648.db2.gz HJLFWXFOTORMEU-AWEZNQCLSA-N 1 0 392.301 2.634 20 0 GFADRO NC(=O)[C@H]1CCCN1CCC[NH2+][C@@H]1CCCOc2cc(Br)ccc21 ZINC000268867798 654989451 /nfs/dbraw/zinc/98/94/51/654989451.db2.gz FRZAJEJZSDBPFQ-HZPDHXFCSA-N 1 0 396.329 2.592 20 0 GFADRO CCOC(=O)C1(NC(=O)c2cc(F)c(Cl)cc2Cl)CC[NH+](C)CC1 ZINC000134321325 654990654 /nfs/dbraw/zinc/99/06/54/654990654.db2.gz QLGLPNKLELNXLQ-UHFFFAOYSA-N 1 0 377.243 2.890 20 0 GFADRO Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+][C@H]1CCCN(S(C)(=O)=O)C1 ZINC000268999883 654994650 /nfs/dbraw/zinc/99/46/50/654994650.db2.gz LKJKHFOJUIPTBE-DOMZBBRYSA-N 1 0 380.539 2.588 20 0 GFADRO [NH3+][C@H](Cc1ccccc1)C(=O)N[C@H]1CCOc2ccc(Br)cc21 ZINC000269038760 654996063 /nfs/dbraw/zinc/99/60/63/654996063.db2.gz GICUBTIUJMGGAO-CVEARBPZSA-N 1 0 375.266 2.959 20 0 GFADRO C[C@H](CCS(C)(=O)=O)[NH2+]Cc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000134592770 654997087 /nfs/dbraw/zinc/99/70/87/654997087.db2.gz QJLFRDPFHNDYOQ-LLVKDONJSA-N 1 0 386.315 2.752 20 0 GFADRO CC[NH+](CC)CCCCNC(=O)c1ccc(Br)cc1-n1cncn1 ZINC000134605015 654997393 /nfs/dbraw/zinc/99/73/93/654997393.db2.gz OMZLDFFBBPIGMX-UHFFFAOYSA-N 1 0 394.317 2.882 20 0 GFADRO C[NH2+][C@@H]1CCN(C(=O)Cc2csc(-c3cccc(Br)c3)n2)C1 ZINC000269140168 654999442 /nfs/dbraw/zinc/99/94/42/654999442.db2.gz VCHUSNGPEDALFT-CYBMUJFWSA-N 1 0 380.311 2.935 20 0 GFADRO CCOc1c(Br)cc(Br)cc1C[NH2+]C[C@@H](O)COC ZINC000071270889 654999819 /nfs/dbraw/zinc/99/98/19/654999819.db2.gz BYEXPGSEQHCVBF-LLVKDONJSA-N 1 0 397.107 2.707 20 0 GFADRO CCCc1c(C(=O)NCC[C@H](C)[NH3+])nnn1Cc1cccc(Br)c1 ZINC000269152197 654999932 /nfs/dbraw/zinc/99/99/32/654999932.db2.gz PLBOBYPZMZHFOB-LBPRGKRZSA-N 1 0 394.317 2.509 20 0 GFADRO CCN(Cc1cccc(Br)c1)C(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC000269220951 655002181 /nfs/dbraw/zinc/00/21/81/655002181.db2.gz IKZKWBPAJUWCNE-UHFFFAOYSA-N 1 0 392.301 2.627 20 0 GFADRO O=C(C[C@@H]1C[NH2+]CCO1)Nc1ncc(Cc2cccc(Br)c2)s1 ZINC000269235484 655002403 /nfs/dbraw/zinc/00/24/03/655002403.db2.gz FQRPABQHFAJURW-CYBMUJFWSA-N 1 0 396.310 2.813 20 0 GFADRO C[NH+](C)CCN(CC(=O)OC(C)(C)C)C(=O)c1nc(Cl)ccc1Cl ZINC000072066858 655003121 /nfs/dbraw/zinc/00/31/21/655003121.db2.gz QQQVPPORKQXXPB-UHFFFAOYSA-N 1 0 376.284 2.734 20 0 GFADRO CC(C)[NH+]1CCC(N2CCN(C(=O)c3coc(Br)c3)CC2)CC1 ZINC000269314293 655005381 /nfs/dbraw/zinc/00/53/81/655005381.db2.gz AYLHDWWTYGDVLY-UHFFFAOYSA-N 1 0 384.318 2.673 20 0 GFADRO O=C(Nc1ccc(Br)cn1)[C@H]1CCC[N@@H+](Cc2ccc(CO)o2)C1 ZINC000091842063 655010601 /nfs/dbraw/zinc/01/06/01/655010601.db2.gz BYNMFEZOPTWTFX-LBPRGKRZSA-N 1 0 394.269 2.780 20 0 GFADRO Cc1ccc(NC(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c(Br)n1 ZINC000269495750 655011572 /nfs/dbraw/zinc/01/15/72/655011572.db2.gz MGKKITLRHDTNCP-LSDHHAIUSA-N 1 0 397.317 2.652 20 0 GFADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)c1ccc2cc(Br)ccc2c1 ZINC000269519728 655012331 /nfs/dbraw/zinc/01/23/31/655012331.db2.gz HNGISJBPCQJWCV-QGZVFWFLSA-N 1 0 376.298 2.578 20 0 GFADRO COc1cc(Cl)c(CN2CCC(C(=O)NCC[NH+](C)C)CC2)cc1Cl ZINC000092615913 655014808 /nfs/dbraw/zinc/01/48/08/655014808.db2.gz ICCYTTRBFOVETR-UHFFFAOYSA-N 1 0 388.339 2.892 20 0 GFADRO CC[NH+](CC)CC(=O)N1CCN(Cc2cnc(-c3ccsc3)s2)CC1 ZINC000093045718 655016582 /nfs/dbraw/zinc/01/65/82/655016582.db2.gz CLVQTUUCYXNPTH-UHFFFAOYSA-N 1 0 378.567 2.858 20 0 GFADRO O[C@H](COc1cc(Cl)ccc1Cl)C[N@@H+]1CCS[C@H]2COCC[C@@H]21 ZINC000135562157 655020430 /nfs/dbraw/zinc/02/04/30/655020430.db2.gz WGYHSPJUDRYGTJ-NOLJZWGESA-N 1 0 378.321 2.939 20 0 GFADRO COC(=O)CC[N@H+](Cc1cnc2ccc(Br)cn12)C1CCOCC1 ZINC000093734596 655020579 /nfs/dbraw/zinc/02/05/79/655020579.db2.gz MSEFDFLMCNZMAY-UHFFFAOYSA-N 1 0 396.285 2.641 20 0 GFADRO C[NH+](C)C1CCN(c2ccc(NC(=O)C[C@@H]3CSCCS3)nc2)CC1 ZINC000269764578 655020593 /nfs/dbraw/zinc/02/05/93/655020593.db2.gz DPEPJNRLNCGDPH-MRXNPFEDSA-N 1 0 380.583 2.789 20 0 GFADRO CN(CC[N@H+](C)C1CCCCC1)C(=O)c1cnn2cc(Br)cnc12 ZINC000094062965 655026850 /nfs/dbraw/zinc/02/68/50/655026850.db2.gz BBXSEHOFWVOWIH-UHFFFAOYSA-N 1 0 394.317 2.828 20 0 GFADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NS(=O)(=O)c1cncc(Cl)c1 ZINC000269984058 655030262 /nfs/dbraw/zinc/03/02/62/655030262.db2.gz RVDASFGNORSRRV-UHFFFAOYSA-N 1 0 380.901 2.596 20 0 GFADRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)S(=O)(=O)c1cncc(Cl)c1 ZINC000270012024 655031269 /nfs/dbraw/zinc/03/12/69/655031269.db2.gz USTPBARAFLSGQT-MRXNPFEDSA-N 1 0 379.913 2.878 20 0 GFADRO CC[NH+](CC)[C@H]1CCN(C(=O)c2ccc(Br)cc2-n2cncn2)C1 ZINC000136703760 655034592 /nfs/dbraw/zinc/03/45/92/655034592.db2.gz ZGZPFKUZSWZEQO-AWEZNQCLSA-N 1 0 392.301 2.586 20 0 GFADRO COc1cc(C[NH2+][C@@H](C)c2cn[nH]c2)cc(I)c1OC ZINC000270162665 655035643 /nfs/dbraw/zinc/03/56/43/655035643.db2.gz GACUMOKDKDMCQL-VIFPVBQESA-N 1 0 387.221 2.882 20 0 GFADRO O=C(COc1ccc(Cl)cc1Cl)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000136852187 655036121 /nfs/dbraw/zinc/03/61/21/655036121.db2.gz LNFWGTNLEXCPHN-ZDUSSCGKSA-N 1 0 387.307 2.989 20 0 GFADRO O=C(COc1cc(Cl)ccc1Cl)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000136934235 655036835 /nfs/dbraw/zinc/03/68/35/655036835.db2.gz NMBMPWMHURVGMN-CYBMUJFWSA-N 1 0 387.307 2.989 20 0 GFADRO C[NH+]1CCC([C@@H]2CCN(C(=O)c3cc4c(c(Br)c3)OCO4)C2)CC1 ZINC000270288854 655040111 /nfs/dbraw/zinc/04/01/11/655040111.db2.gz WQABJFPWCXXDFQ-CYBMUJFWSA-N 1 0 395.297 2.982 20 0 GFADRO CC(C)[N@H+](C)CCNC(=O)NC[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000101997504 655049616 /nfs/dbraw/zinc/04/96/16/655049616.db2.gz ZQAASYZVWIKKKZ-OAHLLOKOSA-N 1 0 397.361 2.915 20 0 GFADRO CS[C@H]1CN(C(=O)c2cc(Br)cnc2Cl)C[C@H]1[NH+](C)C ZINC000270590111 655049931 /nfs/dbraw/zinc/04/99/31/655049931.db2.gz BMECZMAJBDXRGW-MNOVXSKESA-N 1 0 378.723 2.615 20 0 GFADRO CS[C@@H]1CN(Cc2nnc(-c3ccccc3Br)o2)C[C@H]1[NH+](C)C ZINC000270626671 655051304 /nfs/dbraw/zinc/05/13/04/655051304.db2.gz FQROKZKUJALMLL-ZIAGYGMSSA-N 1 0 397.342 2.977 20 0 GFADRO CCOc1cc(C[NH2+][C@@H]2CCCN(C(=O)OC)C2)cc(Br)c1O ZINC000838926464 661063643 /nfs/dbraw/zinc/06/36/43/661063643.db2.gz JBRRLNZDTWPIBO-GFCCVEGCSA-N 1 0 387.274 2.874 20 0 GFADRO COc1cc(C(=O)N2C[C@H](SC)[C@@H]([NH+](C)C)C2)sc1Br ZINC000270740567 655054667 /nfs/dbraw/zinc/05/46/67/655054667.db2.gz AAUDTIPJJHAGKE-KWQFWETISA-N 1 0 379.345 2.637 20 0 GFADRO CS(=O)(=O)N1CCC([NH2+]CC2=Cc3cc(Cl)cc(Cl)c3OC2)CC1 ZINC000102421047 655054997 /nfs/dbraw/zinc/05/49/97/655054997.db2.gz FHCDPWGCRUDFPQ-UHFFFAOYSA-N 1 0 391.320 2.783 20 0 GFADRO C[N@@H+](CC(=O)OC(C)(C)C)Cn1ccc(=O)c2cccc(Br)c21 ZINC000152127596 655056715 /nfs/dbraw/zinc/05/67/15/655056715.db2.gz YQAZILWDIIYNHJ-UHFFFAOYSA-N 1 0 381.270 2.995 20 0 GFADRO C[C@@H]1C[N@@H+](CC2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)C[C@H](C)O1 ZINC000102661248 655057654 /nfs/dbraw/zinc/05/76/54/655057654.db2.gz HMKKSIXZGSOERS-BETUJISGSA-N 1 0 392.974 2.911 20 0 GFADRO C[C@@H](C[NH+]1CCC(C(=O)NCCCO)CC1)c1cccc(Br)c1 ZINC000271058411 655065298 /nfs/dbraw/zinc/06/52/98/655065298.db2.gz VJOQOCYJYDVYKG-AWEZNQCLSA-N 1 0 383.330 2.763 20 0 GFADRO C[NH+](C)C(C)(C)CNC(=O)CSc1nnc(-c2cccs2)n1C1CC1 ZINC000103063846 655066402 /nfs/dbraw/zinc/06/64/02/655066402.db2.gz DOGYYALUSAUXAP-UHFFFAOYSA-N 1 0 379.555 2.890 20 0 GFADRO CC(C)[C@H]1CN(C)CC[N@@H+]1Cn1ccc(=O)c2cccc(Br)c21 ZINC000153637873 655069082 /nfs/dbraw/zinc/06/90/82/655069082.db2.gz HGZQYWXQGMSDMO-MRXNPFEDSA-N 1 0 378.314 2.994 20 0 GFADRO COc1cc(Br)cc(NC(=O)NCCN2CCC([NH+](C)C)CC2)c1 ZINC000271263486 655073367 /nfs/dbraw/zinc/07/33/67/655073367.db2.gz ZSPNLMFNAPBWPU-UHFFFAOYSA-N 1 0 399.333 2.605 20 0 GFADRO O=C(c1nccn2c(Br)cnc12)N1CCC([NH+]2CCCCC2)CC1 ZINC000271300354 655075314 /nfs/dbraw/zinc/07/53/14/655075314.db2.gz UNJAACPOQJBXBB-UHFFFAOYSA-N 1 0 392.301 2.582 20 0 GFADRO C[NH+](C)Cc1ccc(C(=O)N[C@H](CO)c2ccc(Br)cc2)cc1 ZINC000271393638 655079369 /nfs/dbraw/zinc/07/93/69/655079369.db2.gz ZHRQHVHORUDMDI-QGZVFWFLSA-N 1 0 377.282 2.974 20 0 GFADRO CCCOc1c(Br)cc(C(=O)NC[C@@H]2CC[N@H+](C)C2)cc1OC ZINC000104189837 655079515 /nfs/dbraw/zinc/07/95/15/655079515.db2.gz JMCOYPDNROUINK-LBPRGKRZSA-N 1 0 385.302 2.928 20 0 GFADRO COc1cc[nH+]c(N2CCN(C(=O)c3ccc(Br)c(F)c3)CC2)c1 ZINC000104520744 655081610 /nfs/dbraw/zinc/08/16/10/655081610.db2.gz AAGXIAKLFHLZDS-UHFFFAOYSA-N 1 0 394.244 2.954 20 0 GFADRO COc1cc[nH+]c(N2CCN(C(=O)Cc3cccc(Br)c3)CC2)c1 ZINC000104521125 655081662 /nfs/dbraw/zinc/08/16/62/655081662.db2.gz CKLRFVOSMQAINC-UHFFFAOYSA-N 1 0 390.281 2.744 20 0 GFADRO C[C@H]([NH2+]CCSC(C)(C)C)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000271533235 655084315 /nfs/dbraw/zinc/08/43/15/655084315.db2.gz WZHZXRZEYVVTED-HNNXBMFYSA-N 1 0 386.583 2.890 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)c1ccc(I)c(F)c1)C1CC1 ZINC000104856424 655087514 /nfs/dbraw/zinc/08/75/14/655087514.db2.gz HDNKLZGNCJTMHA-ZDUSSCGKSA-N 1 0 376.213 2.500 20 0 GFADRO CC[C@H]([NH2+][C@@H](CC)c1cc(Br)ccc1O)C(=O)N1CCOCC1 ZINC000156280901 655090973 /nfs/dbraw/zinc/09/09/73/655090973.db2.gz WARHRBSEEXXKLQ-GJZGRUSLSA-N 1 0 385.302 2.833 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCN(c2cccc(Cl)c2)C1)c1cccc(S(N)(=O)=O)c1 ZINC000271774130 655094233 /nfs/dbraw/zinc/09/42/33/655094233.db2.gz UTDIHFPWFUSIEK-XJKSGUPXSA-N 1 0 379.913 2.917 20 0 GFADRO CS(=O)(=O)[C@@H]1CCCC[C@@H]1[NH2+]CCCNc1ccc(C(F)(F)F)cn1 ZINC000271784239 655094726 /nfs/dbraw/zinc/09/47/26/655094726.db2.gz GMCBZRMHCOLHBA-UONOGXRCSA-N 1 0 379.448 2.848 20 0 GFADRO COCCN(CC[NH+](C)C)C(=O)C(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000105730538 655098354 /nfs/dbraw/zinc/09/83/54/655098354.db2.gz JBLASYNLPNNSSP-UHFFFAOYSA-N 1 0 396.702 2.622 20 0 GFADRO O=S1(=O)CC[C@@]2(C1)C[C@H]([NH2+]Cc1cc(Cl)ccc1OC(F)F)CCO2 ZINC000271993591 655100545 /nfs/dbraw/zinc/10/05/45/655100545.db2.gz LXFXKLDXTPZMLU-CJNGLKHVSA-N 1 0 395.855 2.767 20 0 GFADRO CN1CC[N@H+](C)C[C@H]1CN[C@@H](c1ccco1)c1ccc(Br)cc1 ZINC000272341621 655109585 /nfs/dbraw/zinc/10/95/85/655109585.db2.gz BTMPTXSCUFYAHE-SJLPKXTDSA-N 1 0 378.314 2.967 20 0 GFADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)/C=C/c3ccc(Br)cc3)C2)CC1 ZINC000106805602 655111592 /nfs/dbraw/zinc/11/15/92/655111592.db2.gz MRMUXKJYOIBQIF-KRZKXXONSA-N 1 0 392.341 2.701 20 0 GFADRO Cc1ccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)c(Br)c1 ZINC000106962667 655115749 /nfs/dbraw/zinc/11/57/49/655115749.db2.gz JVHKCTHDRBSLMP-CYBMUJFWSA-N 1 0 394.313 2.829 20 0 GFADRO CC[N@@H+]1CCCN(C(=O)/C=C/c2cc(Br)c(O)c(OC)c2)CC1 ZINC000272561521 655116314 /nfs/dbraw/zinc/11/63/14/655116314.db2.gz AAURJVYXGNRAFB-AATRIKPKSA-N 1 0 383.286 2.731 20 0 GFADRO Cc1ccc(-n2nc(Br)cc2C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000161051003 655125562 /nfs/dbraw/zinc/12/55/62/655125562.db2.gz IYACUMLIIHBAEU-QWHCGFSZSA-N 1 0 377.286 2.943 20 0 GFADRO NS(=O)(=O)c1ccc(CC[N@@H+](Cc2cccs2)C[C@@H]2CCCO2)cc1 ZINC000107909084 655125982 /nfs/dbraw/zinc/12/59/82/655125982.db2.gz FPNDDUJWUDDVJT-INIZCTEOSA-N 1 0 380.535 2.619 20 0 GFADRO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)c1ccn(-c2cccc(Br)c2)n1 ZINC000108307200 655130963 /nfs/dbraw/zinc/13/09/63/655130963.db2.gz WJKRJLZLBCJFKW-OAHLLOKOSA-N 1 0 389.297 2.849 20 0 GFADRO Cn1ncc(C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1Br ZINC000273171486 655133781 /nfs/dbraw/zinc/13/37/81/655133781.db2.gz FBNOPUCJJDQFHI-AWEZNQCLSA-N 1 0 377.286 2.577 20 0 GFADRO O=C(Nc1cc2c(cc1Br)OCCO2)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000108498087 655134422 /nfs/dbraw/zinc/13/44/22/655134422.db2.gz ABACSRZSGKVAPW-GFCCVEGCSA-N 1 0 396.285 2.826 20 0 GFADRO O=C(CN1CC[NH+](CCc2cccs2)CC1)NCc1cccc(Cl)c1 ZINC000108973683 655139873 /nfs/dbraw/zinc/13/98/73/655139873.db2.gz ZWLGUZHPKQKWJB-UHFFFAOYSA-N 1 0 377.941 2.878 20 0 GFADRO COc1ccc(Br)c(C(=O)NCCC[NH2+]Cc2c(C)noc2C)c1 ZINC000109350323 655145189 /nfs/dbraw/zinc/14/51/89/655145189.db2.gz IDNJRFSJBCZJFS-UHFFFAOYSA-N 1 0 396.285 2.972 20 0 GFADRO O[C@@H](COc1cc(Cl)ccc1Cl)C[N@@H+]1CCC[C@H](C2OCCO2)C1 ZINC000171139976 655149160 /nfs/dbraw/zinc/14/91/60/655149160.db2.gz MQSFIDDVMYKBOS-GXTWGEPZSA-N 1 0 376.280 2.818 20 0 GFADRO C[C@H](C(=O)Nc1cccc(Br)c1)[N@@H+]1CCC[C@H](C2OCCO2)C1 ZINC000171375723 655151093 /nfs/dbraw/zinc/15/10/93/655151093.db2.gz IRFZDVUWSJXJRS-OLZOCXBDSA-N 1 0 383.286 2.861 20 0 GFADRO CN(Cc1cc(Br)cs1)C(=O)C[N@@H+]1CCCC[C@@H]1CCO ZINC000109785847 655152082 /nfs/dbraw/zinc/15/20/82/655152082.db2.gz RHBIQRSMKRMKMC-CYBMUJFWSA-N 1 0 375.332 2.706 20 0 GFADRO CN1CCN(C(=O)CC2CC[NH+](Cc3ccccc3Br)CC2)CC1 ZINC000109788905 655152119 /nfs/dbraw/zinc/15/21/19/655152119.db2.gz NZFQLYGVTWSLFD-UHFFFAOYSA-N 1 0 394.357 2.825 20 0 GFADRO O=C(NC[C@H]1CCC[N@H+]1CCCO)Nc1ccc(SC(F)(F)F)nc1 ZINC000839174659 661074609 /nfs/dbraw/zinc/07/46/09/661074609.db2.gz NWIIDPQKRFOEKK-GFCCVEGCSA-N 1 0 378.420 2.662 20 0 GFADRO NC(=O)C1([NH2+]C[C@H](O)c2ccc(Br)cc2)C2CC3CC(C2)CC1C3 ZINC000839198347 661075822 /nfs/dbraw/zinc/07/58/22/661075822.db2.gz MTMRWDKTCKKWTG-JGMYYXPNSA-N 1 0 393.325 2.752 20 0 GFADRO COC(=O)CN(C)C(=O)CC[N@@H+]1CCC[C@H]1c1ccc(Br)cc1 ZINC000111204225 655166327 /nfs/dbraw/zinc/16/63/27/655166327.db2.gz JLPFKYBMIRDCKN-HNNXBMFYSA-N 1 0 383.286 2.608 20 0 GFADRO CN1CC[NH+]([C@@H]2CCCCN(C(=O)Cc3ccccc3Br)C2)CC1 ZINC000173275653 655166556 /nfs/dbraw/zinc/16/65/56/655166556.db2.gz UGHDOEUACJKYBI-QGZVFWFLSA-N 1 0 394.357 2.620 20 0 GFADRO O=C1CCCN1[C@H]1CCC[N@@H+](C[C@@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000111292877 655167891 /nfs/dbraw/zinc/16/78/91/655167891.db2.gz GUEXQLHNEQOQSU-LSDHHAIUSA-N 1 0 387.307 2.820 20 0 GFADRO Cc1nc2n(n1)C[C@H]([NH2+]Cc1nc(-c3cccc(Br)c3)c[nH]1)CC2 ZINC000111383947 655172621 /nfs/dbraw/zinc/17/26/21/655172621.db2.gz DHERIAGZHZMYPC-CQSZACIVSA-N 1 0 387.285 2.844 20 0 GFADRO O=S(=O)(CC[NH2+]Cc1cc(Cl)cc(Cl)c1)NC[C@H]1CCCCO1 ZINC000111405321 655172923 /nfs/dbraw/zinc/17/29/23/655172923.db2.gz VPFTUEGQCAZNKN-OAHLLOKOSA-N 1 0 381.325 2.572 20 0 GFADRO Cc1cc(Br)ccc1CNC(=O)NCCCC[NH+]1CCOCC1 ZINC000111468267 655173157 /nfs/dbraw/zinc/17/31/57/655173157.db2.gz BUDNYJURSZZUPU-UHFFFAOYSA-N 1 0 384.318 2.669 20 0 GFADRO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)Nc2ccc(Br)cc2C)C1 ZINC000173704272 655176828 /nfs/dbraw/zinc/17/68/28/655176828.db2.gz MFAHAJZTJIALJI-CQSZACIVSA-N 1 0 382.302 2.639 20 0 GFADRO CC(C)[NH2+]C1CCN(C(=O)NCc2cn3cc(Br)ccc3n2)CC1 ZINC000111836232 655177732 /nfs/dbraw/zinc/17/77/32/655177732.db2.gz NZGMUSYAUPEIRK-UHFFFAOYSA-N 1 0 394.317 2.769 20 0 GFADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)N(C)Cc1cc(Br)cs1 ZINC000111866352 655178498 /nfs/dbraw/zinc/17/84/98/655178498.db2.gz ITPWZYKCLRTGFQ-CYBMUJFWSA-N 1 0 390.347 2.763 20 0 GFADRO OC[C@H]1CCN(Cc2ccccc2)C[C@H]1[NH2+]Cc1cncc(Br)c1 ZINC000274301566 655184400 /nfs/dbraw/zinc/18/44/00/655184400.db2.gz FRPOHCDQKZFZJG-IEBWSBKVSA-N 1 0 390.325 2.817 20 0 GFADRO COC(=O)CN1CCC([NH2+][C@@H](C)[C@H](O)c2c(Cl)cccc2Cl)CC1 ZINC000274322413 655184814 /nfs/dbraw/zinc/18/48/14/655184814.db2.gz DCANMRCNXAKGCH-GTNSWQLSSA-N 1 0 375.296 2.642 20 0 GFADRO C[NH+]1CCN(c2cc(C(=O)NCc3ccc(Br)cc3)ccn2)CC1 ZINC000112278944 655186418 /nfs/dbraw/zinc/18/64/18/655186418.db2.gz BNUBTNGZTDCHIO-UHFFFAOYSA-N 1 0 389.297 2.526 20 0 GFADRO COCCOCCOCCC[NH2+]Cc1cc(OC)ccc1Br ZINC000274448042 655189218 /nfs/dbraw/zinc/18/92/18/655189218.db2.gz VRHYVRONNJDRDS-UHFFFAOYSA-N 1 0 376.291 2.617 20 0 GFADRO CCCC[N@H+](C)CCNC(=O)Cc1cc2c(cc1Br)OCCO2 ZINC000112404202 655190826 /nfs/dbraw/zinc/19/08/26/655190826.db2.gz LSJHIFYQLPEUFS-UHFFFAOYSA-N 1 0 385.302 2.611 20 0 GFADRO C[C@@H]([NH2+]CC1(N2CCSCC2)CCCC1)C(=O)NCCc1cccs1 ZINC000112526386 655193050 /nfs/dbraw/zinc/19/30/50/655193050.db2.gz OCYHZQZGMGNVDJ-MRXNPFEDSA-N 1 0 381.611 2.747 20 0 GFADRO COC(=O)c1cccc(C[N@H+](C)C[C@@H](O)c2cccc(Br)c2)n1 ZINC000839643482 661098424 /nfs/dbraw/zinc/09/84/24/661098424.db2.gz TYIQLJGMSYSNQB-MRXNPFEDSA-N 1 0 379.254 2.796 20 0 GFADRO C[C@](O)(C[NH2+][C@@H](CO)[C@H]1CCCOC1)c1ccc(Br)cc1Cl ZINC000839650109 661098612 /nfs/dbraw/zinc/09/86/12/661098612.db2.gz INQBLTVIMWZLIW-UVBJJODRSA-N 1 0 392.721 2.687 20 0 GFADRO C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]CCCCCS(C)(=O)=O ZINC000274770316 655201037 /nfs/dbraw/zinc/20/10/37/655201037.db2.gz HGWSQKMXCSCVPS-OAHLLOKOSA-N 1 0 388.961 2.882 20 0 GFADRO CS[C@H]1CN(S(=O)(=O)c2cnc(Cl)c(Cl)c2)C[C@@H]1[NH+]1CCCC1 ZINC000274781772 655201264 /nfs/dbraw/zinc/20/12/64/655201264.db2.gz KNQRMCIIIODNBR-STQMWFEESA-N 1 0 396.365 2.589 20 0 GFADRO COc1ccc(CNC(=O)N2CC[C@@H]3CC[C@H](C2)[N@@H+]3C)cc1Br ZINC000174572312 655203858 /nfs/dbraw/zinc/20/38/58/655203858.db2.gz AGIPQFWLHMXUID-UONOGXRCSA-N 1 0 382.302 2.836 20 0 GFADRO O=C1OCCN1CCC[NH2+]Cc1ncc(Br)cc1Br ZINC000274880174 655205772 /nfs/dbraw/zinc/20/57/72/655205772.db2.gz YUJIKMNICSSKCW-UHFFFAOYSA-N 1 0 393.079 2.539 20 0 GFADRO Cc1ccc(-c2csc(NC(=O)[C@@H]3CC(=O)N(CC[NH+](C)C)C3)n2)s1 ZINC000174718489 655206191 /nfs/dbraw/zinc/20/61/91/655206191.db2.gz LHYNQHBUKTYJMF-GFCCVEGCSA-N 1 0 378.523 2.529 20 0 GFADRO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)CN1CC[C@](O)(C(F)(F)F)C1 ZINC000174754272 655207687 /nfs/dbraw/zinc/20/76/87/655207687.db2.gz SJHMJSTWPXQLFG-CQSZACIVSA-N 1 0 385.213 2.951 20 0 GFADRO CC(C)(C)c1n[nH]cc1C[NH2+]CCNC(=O)c1cccc(Br)c1 ZINC000113354562 655208493 /nfs/dbraw/zinc/20/84/93/655208493.db2.gz LQWDQFADAJLHRB-UHFFFAOYSA-N 1 0 379.302 2.989 20 0 GFADRO C[NH+](C)C[C@H]1CCN(S(=O)(=O)c2ccc(Br)cc2Cl)C1 ZINC000114210749 655218446 /nfs/dbraw/zinc/21/84/46/655218446.db2.gz NLNZAYCYLBHQFS-SNVBAGLBSA-N 1 0 381.723 2.675 20 0 GFADRO C[NH+](C)Cc1ccsc1C(=O)N1CCC(Oc2cncc(Cl)n2)CC1 ZINC000275178518 655221334 /nfs/dbraw/zinc/22/13/34/655221334.db2.gz ZUHLLPKFCLQTGU-UHFFFAOYSA-N 1 0 380.901 2.937 20 0 GFADRO C[C@H]([NH2+][C@@H](C)c1cn[nH]c1)C(=O)Nc1cccc(I)c1 ZINC000275181313 655221524 /nfs/dbraw/zinc/22/15/24/655221524.db2.gz NCAHPBFYWMNFQF-UWVGGRQHSA-N 1 0 384.221 2.692 20 0 GFADRO C[C@@H](CNC(=O)CCSc1nc2ccccc2s1)N1CC[NH+](C)CC1 ZINC000114385621 655223008 /nfs/dbraw/zinc/22/30/08/655223008.db2.gz FPYZJAFIMSJJAZ-AWEZNQCLSA-N 1 0 378.567 2.531 20 0 GFADRO O=C([C@@H]1C[C@@H]1c1ccc(Br)cc1)N1CC[NH+](C2CCOCC2)CC1 ZINC000175837309 655227847 /nfs/dbraw/zinc/22/78/47/655227847.db2.gz ZQUQGLMWTCCDRT-QZTJIDSGSA-N 1 0 393.325 2.876 20 0 GFADRO C[C@H]([NH2+]CCS(=O)(=O)CC(=O)OC(C)(C)C)c1ccc2ncsc2c1 ZINC000839568764 661092515 /nfs/dbraw/zinc/09/25/15/661092515.db2.gz UTUHOOXOSIAEHI-LBPRGKRZSA-N 1 0 384.523 2.703 20 0 GFADRO C[N@H+](CCNC(=O)C(=O)c1ccc(Br)s1)Cc1ccccc1 ZINC000839570697 661092619 /nfs/dbraw/zinc/09/26/19/661092619.db2.gz DIUZZCKZCHPRJI-UHFFFAOYSA-N 1 0 381.295 2.942 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)c1cc(I)c[nH]1)c1cccs1 ZINC000115317893 655234656 /nfs/dbraw/zinc/23/46/56/655234656.db2.gz KDNQDPYXWYFACL-NSHDSACASA-N 1 0 389.262 2.714 20 0 GFADRO C[NH+](C)Cc1ccccc1CNC(=O)c1cc(I)c[nH]1 ZINC000115320113 655234938 /nfs/dbraw/zinc/23/49/38/655234938.db2.gz NFOUKQMRZHGKFB-UHFFFAOYSA-N 1 0 383.233 2.611 20 0 GFADRO C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+]1CC[C@H](O)C(C)(C)C1 ZINC000275520725 655239999 /nfs/dbraw/zinc/23/99/99/655239999.db2.gz VGRKJRPWIFPKGT-CJNGLKHVSA-N 1 0 383.330 2.889 20 0 GFADRO C[NH+](C)[C@H]1CCN(c2ccc(NC(=O)c3nc(Br)cs3)nc2)C1 ZINC000275611204 655243997 /nfs/dbraw/zinc/24/39/97/655243997.db2.gz KXXWUZRJBXMWIY-NSHDSACASA-N 1 0 396.314 2.693 20 0 GFADRO CC[NH+](CC)CCOc1ccc(C(=O)NCc2nnc(SC)s2)cc1 ZINC000275802464 655251867 /nfs/dbraw/zinc/25/18/67/655251867.db2.gz HUTABYLWBNIDAY-UHFFFAOYSA-N 1 0 380.539 2.911 20 0 GFADRO O=C(Nc1ccc(Br)cc1F)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000176777190 655256137 /nfs/dbraw/zinc/25/61/37/655256137.db2.gz ACIOBRHXONDKAE-GFCCVEGCSA-N 1 0 386.265 2.774 20 0 GFADRO C[NH+](C)C1(CNC(=O)c2cc(F)ccc2I)CCC1 ZINC000275994430 655257965 /nfs/dbraw/zinc/25/79/65/655257965.db2.gz OAKMGFVVFQHPMA-UHFFFAOYSA-N 1 0 376.213 2.644 20 0 GFADRO Cn1cc([C@H](O)C[NH2+][C@H](c2cccc(Br)c2)C2CCOCC2)cn1 ZINC000276083661 655261384 /nfs/dbraw/zinc/26/13/84/655261384.db2.gz BPQUJOBRNAIGNQ-MSOLQXFVSA-N 1 0 394.313 2.974 20 0 GFADRO Cc1cc(N2CCC([NH2+]Cc3c(Cl)n(C)nc3C(F)(F)F)CC2)n[nH]1 ZINC000276126448 655263578 /nfs/dbraw/zinc/26/35/78/655263578.db2.gz YXUJECVRMACTPY-UHFFFAOYSA-N 1 0 376.814 2.882 20 0 GFADRO COc1c(Cl)cc(NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)cc1Cl ZINC000276139291 655264315 /nfs/dbraw/zinc/26/43/15/655264315.db2.gz UKSAUOGCPNHBFR-IINYFYTJSA-N 1 0 388.295 2.739 20 0 GFADRO CC(C)[NH+]1CCC(C(=O)NC[C@@H](O)COc2cccc(Cl)c2Cl)CC1 ZINC000177113852 655268948 /nfs/dbraw/zinc/26/89/48/655268948.db2.gz TZLUPZLXSFVPMR-CQSZACIVSA-N 1 0 389.323 2.970 20 0 GFADRO CCOc1cc(C[NH2+]C[C@@H](O)COC)cc(Br)c1OC(F)F ZINC000117946544 655270642 /nfs/dbraw/zinc/27/06/42/655270642.db2.gz FNSBNWQVEHBRQH-SNVBAGLBSA-N 1 0 384.217 2.546 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccccc1SC(F)(F)F ZINC000118096249 655271623 /nfs/dbraw/zinc/27/16/23/655271623.db2.gz KCARFPISERCCBG-LLVKDONJSA-N 1 0 375.416 2.838 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)C(=O)Nc1ccccc1SC(F)(F)F)C1CC1 ZINC000118101326 655271821 /nfs/dbraw/zinc/27/18/21/655271821.db2.gz ASMWTPIXHPTQCA-GFCCVEGCSA-N 1 0 375.416 2.693 20 0 GFADRO C[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1cccc(Cl)c1SC(F)F ZINC000118106642 655271869 /nfs/dbraw/zinc/27/18/69/655271869.db2.gz MRNLXKOHMDGPSW-SECBINFHSA-N 1 0 377.844 2.804 20 0 GFADRO Cc1cc(Br)cc(Cl)c1NC(=O)C(=O)NCC[N@@H+](C)C(C)C ZINC000118122506 655272126 /nfs/dbraw/zinc/27/21/26/655272126.db2.gz MJVROHHQMKXFLW-UHFFFAOYSA-N 1 0 390.709 2.806 20 0 GFADRO C[C@@H](CNC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1Cl)[N@H+](C)C1CC1 ZINC000118130039 655272363 /nfs/dbraw/zinc/27/23/63/655272363.db2.gz KCXYQLWWQDTRKX-VIFPVBQESA-N 1 0 377.794 2.896 20 0 GFADRO C[C@@H]([NH2+]C1CCN(CCS(C)(=O)=O)CC1)c1ccc(Br)cc1 ZINC000177321507 655273631 /nfs/dbraw/zinc/27/36/31/655273631.db2.gz BSHRFJWJUNUXTE-CYBMUJFWSA-N 1 0 389.359 2.609 20 0 GFADRO Cc1csc(C(=O)N[C@H]2C[N@H+](C3CC3)C[C@H]2C)c1I ZINC000276523167 655278148 /nfs/dbraw/zinc/27/81/48/655278148.db2.gz MKWLHFSEXAOWLW-KCJUWKMLSA-N 1 0 390.290 2.874 20 0 GFADRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)CCNC(=O)c2ccc(Br)cc2)C1 ZINC000177574822 655282192 /nfs/dbraw/zinc/28/21/92/655282192.db2.gz AYJDJSKTHQTQHJ-CVEARBPZSA-N 1 0 396.329 2.558 20 0 GFADRO COCC[N@H+](C)CCNC(=O)N1CCC[C@H]1c1ccccc1Br ZINC000118952752 655284117 /nfs/dbraw/zinc/28/41/17/655284117.db2.gz VIHXTBJQNNUQMA-INIZCTEOSA-N 1 0 384.318 2.874 20 0 GFADRO NC(=O)N1CCC([NH2+]CC2(c3cccc(Br)c3)CCOCC2)CC1 ZINC000177913600 655291213 /nfs/dbraw/zinc/29/12/13/655291213.db2.gz PYZBOPJERWKLMJ-UHFFFAOYSA-N 1 0 396.329 2.630 20 0 GFADRO C[C@@H](CNC(=O)N[C@@H](CO)c1cccc(Br)c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000177932477 655292223 /nfs/dbraw/zinc/29/22/23/655292223.db2.gz MOTMBFLNXZRDCI-KEYYUXOJSA-N 1 0 398.345 2.902 20 0 GFADRO O=S(=O)(C1CCOCC1)N1CCC([NH2+]Cc2cc(Cl)ccc2F)CC1 ZINC000119276544 655296507 /nfs/dbraw/zinc/29/65/07/655296507.db2.gz DNNDISKTCZKAGO-UHFFFAOYSA-N 1 0 390.908 2.542 20 0 GFADRO COc1c(Cl)cc(NC(=O)C(=O)N2CCC[C@@H]([NH+](C)C)CC2)cc1Cl ZINC000277063551 655301060 /nfs/dbraw/zinc/30/10/60/655301060.db2.gz HINFGVGGUPJCEK-GFCCVEGCSA-N 1 0 388.295 2.883 20 0 GFADRO CC[C@]1(C(=O)NCCC(=O)Nc2cc(Br)ccc2C)CC[NH2+]C1 ZINC000119416864 655303499 /nfs/dbraw/zinc/30/34/99/655303499.db2.gz ZLQUYIMOEKEUIS-KRWDZBQOSA-N 1 0 382.302 2.592 20 0 GFADRO CN(Cc1ccccc1Br)C(=O)CN1CCC[C@@H]([NH+](C)C)CC1 ZINC000277152487 655305559 /nfs/dbraw/zinc/30/55/59/655305559.db2.gz JRQQKKIAXLXVOR-MRXNPFEDSA-N 1 0 382.346 2.824 20 0 GFADRO [NH3+][C@H]1CC[C@@H](C(=O)N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)C1 ZINC000178657254 655307128 /nfs/dbraw/zinc/30/71/28/655307128.db2.gz CEBVNFMFJLEDQQ-PWSUYJOCSA-N 1 0 376.810 2.530 20 0 GFADRO CC(C)[N@H+](Cc1nnnn1-c1ccccc1Br)C1CCOCC1 ZINC000119637922 655309390 /nfs/dbraw/zinc/30/93/90/655309390.db2.gz IJBPOVREEDDPSK-UHFFFAOYSA-N 1 0 380.290 2.814 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2cccc(Br)c2C)[C@H](C)C1 ZINC000119691013 655311212 /nfs/dbraw/zinc/31/12/12/655311212.db2.gz FAJNQNZOQAEDSB-MLGOLLRUSA-N 1 0 396.329 2.885 20 0 GFADRO CC[C@@H](CO)[NH+]1CCN(C(=O)CCSc2nc3ccccc3s2)CC1 ZINC000179396540 655313201 /nfs/dbraw/zinc/31/32/01/655313201.db2.gz BMNASXQZYHBWLY-AWEZNQCLSA-N 1 0 379.551 2.694 20 0 GFADRO CC[N@@H+]1CCCN(C(=O)c2nc(Br)ccc2Br)CC1 ZINC000277360230 655314547 /nfs/dbraw/zinc/31/45/47/655314547.db2.gz YDWVYOCSWPEFEZ-UHFFFAOYSA-N 1 0 391.107 2.774 20 0 GFADRO COc1nc(N2CC[NH+](Cc3cccc(C)c3O)CC2)ncc1Br ZINC000180047419 655321396 /nfs/dbraw/zinc/32/13/96/655321396.db2.gz OTJPNHYJMHYFGJ-UHFFFAOYSA-N 1 0 393.285 2.584 20 0 GFADRO C[NH+](C)CCOc1ccccc1CNC(=O)c1nc(Br)cs1 ZINC000119968372 655323112 /nfs/dbraw/zinc/32/31/12/655323112.db2.gz TWDUYVRUIARMGW-UHFFFAOYSA-N 1 0 384.299 2.776 20 0 GFADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)c1ccc(Br)cc1F ZINC000278898535 655326469 /nfs/dbraw/zinc/32/64/69/655326469.db2.gz RIFMJZKSCAFDKR-LBPRGKRZSA-N 1 0 385.277 2.914 20 0 GFADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)Nc1cccc(Br)n1 ZINC000278906643 655326772 /nfs/dbraw/zinc/32/67/72/655326772.db2.gz SFPGWDOORAXDDD-LBPRGKRZSA-N 1 0 383.290 2.561 20 0 GFADRO COc1cc(Br)c(NC(=O)c2cc([C@@H]3CC[NH2+]C3)[nH]n2)cc1OC ZINC000278912076 655326808 /nfs/dbraw/zinc/32/68/08/655326808.db2.gz CFLICSDWJQEGAJ-SECBINFHSA-N 1 0 395.257 2.519 20 0 GFADRO Cc1ccc(Br)c(NC(=O)C(=O)N(C)CCC[NH+]2CCCC2)c1 ZINC000281509473 655334218 /nfs/dbraw/zinc/33/42/18/655334218.db2.gz RKRDUOTUZWZVGZ-UHFFFAOYSA-N 1 0 382.302 2.640 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000120454245 655336361 /nfs/dbraw/zinc/33/63/61/655336361.db2.gz CGJFINYOJXFKLX-OCCSQVGLSA-N 1 0 382.302 2.637 20 0 GFADRO CN(CCC[NH+]1CCCC1)C(=O)c1ccc(Br)cc1-n1cncn1 ZINC000281619240 655336521 /nfs/dbraw/zinc/33/65/21/655336521.db2.gz FRSAAYWYTMJMAJ-UHFFFAOYSA-N 1 0 392.301 2.588 20 0 GFADRO CC[N@H+](C)CCNC(=O)c1nn(-c2cccc(Br)c2)c2c1CCC2 ZINC000120535546 655338375 /nfs/dbraw/zinc/33/83/75/655338375.db2.gz PUYDBUIZJFWOGE-UHFFFAOYSA-N 1 0 391.313 2.805 20 0 GFADRO C[C@H](Cn1cc(Br)cn1)[NH2+]C[C@@H](c1ccccc1)N1CCOCC1 ZINC000120642490 655340931 /nfs/dbraw/zinc/34/09/31/655340931.db2.gz XTUZPAWEYVGJHS-QAPCUYQASA-N 1 0 393.329 2.697 20 0 GFADRO C[C@@H]([NH2+]C[C@H]1CCCN(S(C)(=O)=O)C1)c1cccc(OC(F)(F)F)c1 ZINC000181903657 655341363 /nfs/dbraw/zinc/34/13/63/655341363.db2.gz MGYPEGKAOWBUSY-CHWSQXEVSA-N 1 0 380.432 2.907 20 0 GFADRO CCCCO[C@@H]1C[C@@H]([NH2+]CC2CCN(S(=O)(=O)C(F)F)CC2)C1(C)C ZINC000181953924 655341681 /nfs/dbraw/zinc/34/16/81/655341681.db2.gz UNHLQYQSJDIJTK-HUUCEWRRSA-N 1 0 382.517 2.824 20 0 GFADRO CC(=O)N[C@@H](CC(=O)N1CCC([NH+](C)C)CC1)c1ccc(Br)cc1 ZINC000120666899 655341881 /nfs/dbraw/zinc/34/18/81/655341881.db2.gz AJMCVNMXSJYWFU-KRWDZBQOSA-N 1 0 396.329 2.569 20 0 GFADRO CCC[N@H+](C)[C@H](CNC(=O)CSc1nncn1C)c1ccc(Cl)cc1 ZINC000286104499 655343682 /nfs/dbraw/zinc/34/36/82/655343682.db2.gz WZKJBKVRALGUHA-OAHLLOKOSA-N 1 0 381.933 2.760 20 0 GFADRO COC(=O)c1cc(C[NH2+]C[C@@H](O)c2cccc(Br)c2)n(C)c1C ZINC000291078027 655350569 /nfs/dbraw/zinc/35/05/69/655350569.db2.gz UFDLVKMPNRKKEF-MRXNPFEDSA-N 1 0 381.270 2.706 20 0 GFADRO C[C@@H](C[NH2+][C@@H](CNC(=O)OC(C)(C)C)C1CCCCC1)CS(C)(=O)=O ZINC000183323249 655350649 /nfs/dbraw/zinc/35/06/49/655350649.db2.gz OFNGBITYAUYRPM-HOCLYGCPSA-N 1 0 376.563 2.730 20 0 GFADRO Cc1nnsc1CNC(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000292711370 655353722 /nfs/dbraw/zinc/35/37/22/655353722.db2.gz TXSLYYUCJFTFLC-UHFFFAOYSA-N 1 0 377.539 2.760 20 0 GFADRO O=C(C[NH2+]C1(Cc2ccc(F)cc2Br)CCOCC1)NCC1CC1 ZINC000293645079 655360920 /nfs/dbraw/zinc/36/09/20/655360920.db2.gz RYALZLPFRLCWJS-UHFFFAOYSA-N 1 0 399.304 2.796 20 0 GFADRO C[C@@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1cc(Br)cc(F)c1[O-] ZINC000184983334 655361464 /nfs/dbraw/zinc/36/14/64/655361464.db2.gz GTGUUNPOAIJFMR-GFCCVEGCSA-N 1 0 388.325 2.970 20 0 GFADRO C#CCOc1ccc(Br)cc1C[NH2+]CCCCCS(C)(=O)=O ZINC000185208154 655363123 /nfs/dbraw/zinc/36/31/23/655363123.db2.gz OQABBYXCRWJFSL-UHFFFAOYSA-N 1 0 388.327 2.766 20 0 GFADRO CCOC(=O)N1CC[C@H]([NH2+]Cc2cc(OC)c(OC)cc2Br)C1 ZINC000185781207 655366284 /nfs/dbraw/zinc/36/62/84/655366284.db2.gz YYTOXUXFKLTQOG-LBPRGKRZSA-N 1 0 387.274 2.787 20 0 GFADRO CCOC(=O)N1CC[C@@H]([NH2+][C@@H](C)CC(=O)Nc2ccc(Br)cc2)C1 ZINC000186445116 655369530 /nfs/dbraw/zinc/36/95/30/655369530.db2.gz TUWJHCYYYUIDMG-SWLSCSKDSA-N 1 0 398.301 2.987 20 0 GFADRO C[C@@]([NH2+]C[C@H](O)c1ccc(F)c(Br)c1)(C(N)=O)c1ccccc1 ZINC000187222146 655373112 /nfs/dbraw/zinc/37/31/12/655373112.db2.gz STOUEOAJKFBDFI-RDJZCZTQSA-N 1 0 381.245 2.612 20 0 GFADRO O=C(CN1CCC([NH+]2CCCCC2)CC1)Nc1ccc(Br)cn1 ZINC000299628744 655377521 /nfs/dbraw/zinc/37/75/21/655377521.db2.gz MYIJWQVFHDKTKN-UHFFFAOYSA-N 1 0 381.318 2.733 20 0 GFADRO COc1cccc([C@H](CNC(=O)c2ccc(Br)nc2)[NH+](C)C)c1 ZINC000320719217 655382291 /nfs/dbraw/zinc/38/22/91/655382291.db2.gz CIOUMXBHYZSKOH-HNNXBMFYSA-N 1 0 378.270 2.885 20 0 GFADRO C#CC[NH+]1CCC(C(=O)N[C@@H](C)c2ccc(Br)cc2OC)CC1 ZINC000189150732 655384945 /nfs/dbraw/zinc/38/49/45/655384945.db2.gz YCUMSVQHEIMVAA-ZDUSSCGKSA-N 1 0 379.298 2.980 20 0 GFADRO O=C1CN(Cc2cccc(Br)c2)C(=O)N1C1CC[NH+](C2CC2)CC1 ZINC000349196179 655388557 /nfs/dbraw/zinc/38/85/57/655388557.db2.gz XPMUCESEZLOZBF-UHFFFAOYSA-N 1 0 392.297 2.840 20 0 GFADRO NC(=O)NC(=O)OCCC[NH+]1CCC(c2ccccc2Br)CC1 ZINC000189812296 655388582 /nfs/dbraw/zinc/38/85/82/655388582.db2.gz CRNUCKJPLKETTI-UHFFFAOYSA-N 1 0 384.274 2.824 20 0 GFADRO O=C1N[C@H](Cc2cc(Cl)cc(Cl)c2)C(=O)N1C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000349232632 655388686 /nfs/dbraw/zinc/38/86/86/655388686.db2.gz FYFYIENNKVBBMY-BDJLRTHQSA-N 1 0 382.291 2.941 20 0 GFADRO O=C1N[C@]2(CCSC2)C(=O)N1C[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000349230831 655388735 /nfs/dbraw/zinc/38/87/35/655388735.db2.gz QICDAQZRETVZKJ-QAPCUYQASA-N 1 0 379.913 2.904 20 0 GFADRO O=C(NCC1CC[NH+](C2CC2)CC1)[C@H]1Cc2cc(Br)ccc2O1 ZINC000365316689 655393331 /nfs/dbraw/zinc/39/33/31/655393331.db2.gz KYBQQJGXDZQROS-QGZVFWFLSA-N 1 0 379.298 2.743 20 0 GFADRO O=C(NCC[NH2+]Cc1cc(Br)c(Cl)s1)C1N=CC=CC1=O ZINC000191051870 655396898 /nfs/dbraw/zinc/39/68/98/655396898.db2.gz MZXPXKLETDXBTM-QBFSEMIESA-N 1 0 390.690 2.780 20 0 GFADRO Cc1cc(Br)ccc1C[NH2+]C[C@H]1CCC[C@]12NC(=O)N(C)C2=O ZINC000366035798 655398284 /nfs/dbraw/zinc/39/82/84/655398284.db2.gz WJUPEYCIVNMEND-DYVFJYSZSA-N 1 0 380.286 2.568 20 0 GFADRO O=C(/C=C/c1ccccc1Br)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000366193174 655399661 /nfs/dbraw/zinc/39/96/61/655399661.db2.gz RYWSTFREQDQNEH-JFDDCEBESA-N 1 0 379.298 2.832 20 0 GFADRO Cc1nnc(N2CCC([NH2+]C[C@@H](O)c3cccc(Br)c3)CC2)s1 ZINC000374760346 655401941 /nfs/dbraw/zinc/40/19/41/655401941.db2.gz PJYNMCVDILZFBF-OAHLLOKOSA-N 1 0 397.342 2.901 20 0 GFADRO COC(=O)[C@@H]1CN(c2ccc3ccc(Br)cc3n2)CC[N@H+](C)C1 ZINC000413508145 655402878 /nfs/dbraw/zinc/40/28/78/655402878.db2.gz WZPDXJAJLYMTSF-ZDUSSCGKSA-N 1 0 378.270 2.538 20 0 GFADRO COC(=O)c1c2cnn(C[N@@H+]3CC[C@H](SC)C3)c2ccc1Br ZINC000840113081 661134619 /nfs/dbraw/zinc/13/46/19/661134619.db2.gz KIIHDBCBWRUIQT-JTQLQIEISA-N 1 0 384.299 2.980 20 0 GFADRO CCN(CCOc1ccc(Br)cc1)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000418341125 655405651 /nfs/dbraw/zinc/40/56/51/655405651.db2.gz ONGMGYMKZDVNFM-CQSZACIVSA-N 1 0 384.318 2.859 20 0 GFADRO C[NH+](C)CCCNC(=O)C[C@@](O)(c1nc2ccccc2s1)C(F)(F)F ZINC000192495925 655405673 /nfs/dbraw/zinc/40/56/73/655405673.db2.gz IPHQLEMVIKSZHJ-OAHLLOKOSA-N 1 0 375.416 2.504 20 0 GFADRO C[NH2+]C[C@@H]1CCCN1S(=O)(=O)c1cc(Cl)c(Br)cc1F ZINC000193300930 655409309 /nfs/dbraw/zinc/40/93/09/655409309.db2.gz GAVFTAFOFSWACT-QMMMGPOBSA-N 1 0 385.686 2.614 20 0 GFADRO COC(=O)c1ccc(Cl)c(S(=O)(=O)NC2CC[NH+](C(C)(C)C)CC2)c1 ZINC000193920873 655413183 /nfs/dbraw/zinc/41/31/83/655413183.db2.gz HMFXFZYQXNHMLR-UHFFFAOYSA-N 1 0 388.917 2.668 20 0 GFADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)Oc1cc(F)ccc1Cl ZINC000193929560 655413189 /nfs/dbraw/zinc/41/31/89/655413189.db2.gz UMFHMDGOVUDSBZ-UHFFFAOYSA-N 1 0 375.853 2.622 20 0 GFADRO C[C@H](Cc1ccc(F)c(Br)c1)NC(=O)c1csc(CC[NH3+])n1 ZINC000194820129 655417651 /nfs/dbraw/zinc/41/76/51/655417651.db2.gz XNZUQFZGXKAOBN-SECBINFHSA-N 1 0 386.290 2.907 20 0 GFADRO CCOC(=O)N1CCC[N@H+](C[C@@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000194855119 655417753 /nfs/dbraw/zinc/41/77/53/655417753.db2.gz PSILHIBLGGPPGU-CQSZACIVSA-N 1 0 391.295 2.897 20 0 GFADRO COCC1(C[NH2+]C[C@@H](O)COc2ccc(Cl)cc2Cl)CCOCC1 ZINC000517925944 655419263 /nfs/dbraw/zinc/41/92/63/655419263.db2.gz QTQZHFHBQHHBHQ-CQSZACIVSA-N 1 0 378.296 2.766 20 0 GFADRO CC1(C)CC(=O)N(C[NH2+]C2(c3ccc(Br)cc3)CCOCC2)C1=O ZINC000195402476 655420442 /nfs/dbraw/zinc/42/04/42/655420442.db2.gz XQAGETVAHCAKGJ-UHFFFAOYSA-N 1 0 395.297 2.787 20 0 GFADRO C[C@H]1CN(C(=O)c2cc(Cl)ccc2I)CCN1C ZINC000228858817 655423227 /nfs/dbraw/zinc/42/32/27/655423227.db2.gz JRSNEKVWCZEZIR-VIFPVBQESA-N 1 0 378.641 2.721 20 0 GFADRO CCN(CCC[NH2+][C@@H]1CCc2cc(Br)ccc2C1)S(C)(=O)=O ZINC000236855469 655425154 /nfs/dbraw/zinc/42/51/54/655425154.db2.gz ONOJCHPMTQIFKW-MRXNPFEDSA-N 1 0 389.359 2.568 20 0 GFADRO C#CCOc1ccc(Br)cc1C[NH2+]CCc1cccc(C(N)=O)c1 ZINC000237729839 655426515 /nfs/dbraw/zinc/42/65/15/655426515.db2.gz JVFWCORYCPAFII-UHFFFAOYSA-N 1 0 387.277 2.892 20 0 GFADRO O=C(CNC(=O)C1CC[NH+]([C@H]2CCSC2)CC1)c1c(F)cccc1Cl ZINC000574339634 655429336 /nfs/dbraw/zinc/42/93/36/655429336.db2.gz UPJBFPPJISULBF-ZDUSSCGKSA-N 1 0 384.904 2.996 20 0 GFADRO CCOC(=O)N[C@@H]1CCC[N@H+](C[C@@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000248769958 655433192 /nfs/dbraw/zinc/43/31/92/655433192.db2.gz QORCTUDGAIZKRB-CHWSQXEVSA-N 1 0 391.295 2.944 20 0 GFADRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N[C@H](C)c1ncc(Br)cn1 ZINC000574953570 655433740 /nfs/dbraw/zinc/43/37/40/655433740.db2.gz RKRUXLIXNMHKQG-XJFOESAGSA-N 1 0 398.349 2.966 20 0 GFADRO CSc1ncc(Cl)c(C(=O)N(C)CCC[N@H+](C)Cc2ccncc2)n1 ZINC000574995155 655434282 /nfs/dbraw/zinc/43/42/82/655434282.db2.gz YLUBGYOAMOSUGX-UHFFFAOYSA-N 1 0 379.917 2.841 20 0 GFADRO CC[NH+](CC)C[C@@H]1CCN(Cc2ncc(I)s2)C1 ZINC000575787506 655437074 /nfs/dbraw/zinc/43/70/74/655437074.db2.gz WHKKJYMYNFPVRZ-NSHDSACASA-N 1 0 379.311 2.911 20 0 GFADRO CCC[C@H]1C[NH2+]CCN1C(=O)c1ccn(-c2cccc(Br)c2)n1 ZINC000575801758 655437373 /nfs/dbraw/zinc/43/73/73/655437373.db2.gz IMHVNAZOXLNUSB-HNNXBMFYSA-N 1 0 377.286 2.849 20 0 GFADRO CC[NH+](CC)CCS(=O)(=O)N(CCCO)Cc1ccc(Cl)c(Cl)c1 ZINC000576031985 655442147 /nfs/dbraw/zinc/44/21/47/655442147.db2.gz YRUQNKBTSBCWDG-UHFFFAOYSA-N 1 0 397.368 2.849 20 0 GFADRO O=C(NCC1C[NH2+]C1)c1ccccc1OCc1cccc(Br)c1 ZINC000262033770 655443550 /nfs/dbraw/zinc/44/35/50/655443550.db2.gz PFIYIUOPQILSLJ-UHFFFAOYSA-N 1 0 375.266 2.977 20 0 GFADRO CN1CCN(c2cc[nH+]cc2NC(=O)c2ccsc2Br)CC1 ZINC000576308716 655445113 /nfs/dbraw/zinc/44/51/13/655445113.db2.gz YSUHXFJTUFYNNP-UHFFFAOYSA-N 1 0 381.299 2.910 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+][C@H]2C[C@@H]2Cc2ccccc2)cc1Br ZINC000576368209 655446070 /nfs/dbraw/zinc/44/60/70/655446070.db2.gz GAPASAABWJJPIN-HOCLYGCPSA-N 1 0 395.322 2.817 20 0 GFADRO O=C(NCC[C@@H]1CCC[NH2+]C1)N[C@H]1COc2cc(F)c(Br)cc21 ZINC000576373573 655446177 /nfs/dbraw/zinc/44/61/77/655446177.db2.gz BNRCOARJBBLFJP-HZMBPMFUSA-N 1 0 386.265 2.711 20 0 GFADRO O=C1NCC[C@@H]1CC[NH2+]C1(Cc2ccc(F)cc2Br)CCOCC1 ZINC000576476380 655448211 /nfs/dbraw/zinc/44/82/11/655448211.db2.gz ZEXLVDQDDICQDP-CYBMUJFWSA-N 1 0 399.304 2.796 20 0 GFADRO COCCN(Cc1ccc(Br)s1)C(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000576701717 655451100 /nfs/dbraw/zinc/45/11/00/655451100.db2.gz HSWMOQCZATUWIS-QWRGUYRKSA-N 1 0 378.336 2.794 20 0 GFADRO COCCN(Cc1ccc(Br)s1)C(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000576701716 655451161 /nfs/dbraw/zinc/45/11/61/655451161.db2.gz HSWMOQCZATUWIS-MNOVXSKESA-N 1 0 378.336 2.794 20 0 GFADRO OC[C@@H]([NH2+]Cc1nc(-c2cccc(Br)c2)c[nH]1)C1CCOCC1 ZINC000576780203 655452653 /nfs/dbraw/zinc/45/26/53/655452653.db2.gz PYZYTVUPFKBZRF-MRXNPFEDSA-N 1 0 380.286 2.716 20 0 GFADRO CS[C@@H]1CN(C(=O)c2ncsc2Br)C[C@H]1[NH+]1CCCC1 ZINC000576838943 655452829 /nfs/dbraw/zinc/45/28/29/655452829.db2.gz YCCUXBAENUCGFD-NXEZZACHSA-N 1 0 376.345 2.557 20 0 GFADRO COc1cc(C[NH2+][C@@H]2CCC[C@H]3CN(C(C)=O)C[C@@H]32)cc(Br)c1O ZINC000576853485 655453111 /nfs/dbraw/zinc/45/31/11/655453111.db2.gz DSSHSGNWIJPFPW-OFQRWUPVSA-N 1 0 397.313 2.900 20 0 GFADRO O=C(Nc1cnn(-c2ncc(Cl)cc2Cl)c1)N[C@@H]1C[NH2+]CCC1(F)F ZINC000576924978 655454772 /nfs/dbraw/zinc/45/47/72/655454772.db2.gz DSIWQZROOALOQE-LLVKDONJSA-N 1 0 391.209 2.693 20 0 GFADRO Cc1cc(F)c(Br)cc1S(=O)(=O)NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000577063305 655456899 /nfs/dbraw/zinc/45/68/99/655456899.db2.gz FERXYDGICDIANR-MNOVXSKESA-N 1 0 379.295 2.692 20 0 GFADRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)CCNC(=O)Nc1ccc(Br)cc1 ZINC000577498548 655461022 /nfs/dbraw/zinc/46/10/22/655461022.db2.gz JWTYPUSQVFQWGM-OAHLLOKOSA-N 1 0 397.317 2.513 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCOc2ccccc2Br)CC1 ZINC000577612280 655462916 /nfs/dbraw/zinc/46/29/16/655462916.db2.gz OBZARCFNAUGJPH-QAPCUYQASA-N 1 0 397.313 2.573 20 0 GFADRO Fc1cc(Br)cc(OCC[N@@H+]2CCC[C@H](N3CCOCC3)C2)c1 ZINC000577623723 655463198 /nfs/dbraw/zinc/46/31/98/655463198.db2.gz YSIIGZANGZLDGI-INIZCTEOSA-N 1 0 387.293 2.764 20 0 GFADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)CSCc1ccc(Cl)cc1Cl ZINC000264431546 655463477 /nfs/dbraw/zinc/46/34/77/655463477.db2.gz MDIIZUCCHDJEMJ-CYBMUJFWSA-N 1 0 390.380 2.979 20 0 GFADRO O=C(C[C@@H]1Sc2ccc(Cl)cc2NC1=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000264593442 655466697 /nfs/dbraw/zinc/46/66/97/655466697.db2.gz AVGLCMMXOAHZFT-BZNIZROVSA-N 1 0 379.913 2.743 20 0 GFADRO Cc1nc(-c2cccs2)sc1C(=O)N(C)CCCN1CC[NH+](C)CC1 ZINC000264603378 655467076 /nfs/dbraw/zinc/46/70/76/655467076.db2.gz FNDLEUFRYLGMFE-UHFFFAOYSA-N 1 0 378.567 2.890 20 0 GFADRO CCCC[N@H+](C)C[C@H](C)NC(=O)c1ccc(I)c(O)c1 ZINC000577789664 655467193 /nfs/dbraw/zinc/46/71/93/655467193.db2.gz CQCVSWJRKCRDKC-NSHDSACASA-N 1 0 390.265 2.847 20 0 GFADRO O=C(c1cccc(I)c1)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000577847387 655468337 /nfs/dbraw/zinc/46/83/37/655468337.db2.gz LWFIUWPIUOIBAR-KGLIPLIRSA-N 1 0 384.261 2.753 20 0 GFADRO CCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@H]1C[C@H](C)S(=O)(=O)c2sccc21 ZINC000578125520 655473090 /nfs/dbraw/zinc/47/30/90/655473090.db2.gz XQNBTNYNECDZGX-YDHLFZDLSA-N 1 0 385.555 2.529 20 0 GFADRO O[C@@H](C[NH2+]C[C@H]1CCCCN1C1CC1)COc1ccc(Br)cc1 ZINC000578233045 655474681 /nfs/dbraw/zinc/47/46/81/655474681.db2.gz YFWHGRFDBFWEIU-SJORKVTESA-N 1 0 383.330 2.795 20 0 GFADRO O=C(NCCC1=CC[NH2+]CC1)N[C@H]1CCN(c2ccccc2Br)C1 ZINC000578333957 655476999 /nfs/dbraw/zinc/47/69/99/655476999.db2.gz HQXVKPNXAKLBKN-HNNXBMFYSA-N 1 0 393.329 2.637 20 0 GFADRO CC[C@H]1C[N@H+](C)CCN1C[C@H](O)COc1ccc(Cl)cc1Br ZINC000578525089 655481145 /nfs/dbraw/zinc/48/11/45/655481145.db2.gz VBVACSFQGGFZGO-KBPBESRZSA-N 1 0 391.737 2.868 20 0 GFADRO CO[C@H](C)[C@@H](C)[NH2+][C@@H](C)C(=O)Nc1cccc(I)c1 ZINC000578542991 655481400 /nfs/dbraw/zinc/48/14/00/655481400.db2.gz LTGXAIYHUWLAEO-OUAUKWLOSA-N 1 0 376.238 2.631 20 0 GFADRO CC(=O)NCC1CC[NH+](CCC(=O)Nc2cccc(Br)c2)CC1 ZINC000265492208 655484455 /nfs/dbraw/zinc/48/44/55/655484455.db2.gz KOOTXMVLXVEXLP-UHFFFAOYSA-N 1 0 382.302 2.626 20 0 GFADRO CC[C@H](OC)C(=O)NC1CC[NH+](CCOc2ccc(Br)cc2)CC1 ZINC000265620511 655487289 /nfs/dbraw/zinc/48/72/89/655487289.db2.gz QKHQMGZBIYNJIT-KRWDZBQOSA-N 1 0 399.329 2.834 20 0 GFADRO O[C@H](C[NH2+]Cc1nc(-c2ccc(Br)cc2)c[nH]1)C1CCOCC1 ZINC000265638303 655487812 /nfs/dbraw/zinc/48/78/12/655487812.db2.gz UGRAHXPERMKGKX-MRXNPFEDSA-N 1 0 380.286 2.716 20 0 GFADRO CN(CC[N@H+](C)C1CC1)C(=O)c1c(O)cnc2c(Br)cccc21 ZINC000578926435 655489191 /nfs/dbraw/zinc/48/91/91/655489191.db2.gz CTXGSIZKXZIFNU-UHFFFAOYSA-N 1 0 378.270 2.869 20 0 GFADRO O=C(NCCc1ccc(F)c(Br)c1)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000578969099 655490354 /nfs/dbraw/zinc/49/03/54/655490354.db2.gz DPXZGPUQBSVXMY-BFHYXJOUSA-N 1 0 384.293 2.818 20 0 GFADRO CC[N@@H+]1CCCN([C@H](C)C(=O)N(C)Cc2ccc(Br)cc2)CC1 ZINC000265799969 655490792 /nfs/dbraw/zinc/49/07/92/655490792.db2.gz BPCBZYZSMBHPBY-OAHLLOKOSA-N 1 0 382.346 2.824 20 0 GFADRO Cc1ccccc1[C@@H]([NH3+])C(=O)NC[C@@H](O)COc1cccc(Cl)c1Cl ZINC000579000980 655491337 /nfs/dbraw/zinc/49/13/37/655491337.db2.gz CPRUSOLJTCWCBZ-SJKOYZFVSA-N 1 0 383.275 2.858 20 0 GFADRO C[C@@H]1CN(C[C@H](O)C[NH2+]CC(C)(C)c2ccccc2Br)C[C@@H](C)O1 ZINC000579103028 655494025 /nfs/dbraw/zinc/49/40/25/655494025.db2.gz BTOXVZZAYLQLKS-BZUAXINKSA-N 1 0 399.373 2.786 20 0 GFADRO CC[NH+](CC)CCN(CCOC)C(=O)NCc1nc(C(F)(F)F)cs1 ZINC000265984756 655494562 /nfs/dbraw/zinc/49/45/62/655494562.db2.gz XUGBKUGGHHWOEP-UHFFFAOYSA-N 1 0 382.452 2.662 20 0 GFADRO CCCC[N@H+](C)C[C@@H](C)NS(=O)(=O)c1cc(Br)ccc1OC ZINC000579292291 655497117 /nfs/dbraw/zinc/49/71/17/655497117.db2.gz DYKOEUPRAYMMFW-GFCCVEGCSA-N 1 0 393.347 2.856 20 0 GFADRO O=S1(=O)CCCN1c1ccc(C[NH2+]Cc2scnc2C2CC2)cc1F ZINC000579305007 655497391 /nfs/dbraw/zinc/49/73/91/655497391.db2.gz UMTIHVLUYSEXNO-UHFFFAOYSA-N 1 0 381.498 2.989 20 0 GFADRO C[C@H](CNC(=O)c1conc1C(C)(C)[NH3+])Oc1cccc(Br)c1 ZINC000579376517 655498661 /nfs/dbraw/zinc/49/86/61/655498661.db2.gz UNDBZXYTBYRVMC-SNVBAGLBSA-N 1 0 382.258 2.828 20 0 GFADRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)C(=O)Nc3cc(Cl)c(Cl)cc3Cl)C[C@H]12 ZINC000579449545 655499977 /nfs/dbraw/zinc/49/99/77/655499977.db2.gz GNLUWKWCJZEIGI-YVZVNANGSA-N 1 0 376.671 2.781 20 0 GFADRO C[C@H](NC(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C)c1ncc(Br)cn1 ZINC000579579031 655501666 /nfs/dbraw/zinc/50/16/66/655501666.db2.gz VPOKFCXJNCTABF-XQQFMLRXSA-N 1 0 384.322 2.862 20 0 GFADRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)N1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000580070897 655507828 /nfs/dbraw/zinc/50/78/28/655507828.db2.gz FDOKMVIIQNYVMJ-VXGBXAGGSA-N 1 0 387.311 2.587 20 0 GFADRO O=S(=O)(Cc1ccc(Cl)cc1Br)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000580073978 655508118 /nfs/dbraw/zinc/50/81/18/655508118.db2.gz XJQJYDGERVGCKR-OLZOCXBDSA-N 1 0 393.734 2.759 20 0 GFADRO O=C([C@H]1COc2ccc(Br)cc21)N1CCC([NH2+]CC2CC2)CC1 ZINC000580324201 655511018 /nfs/dbraw/zinc/51/10/18/655511018.db2.gz JJTSUODOKDQMJN-INIZCTEOSA-N 1 0 379.298 2.916 20 0 GFADRO CN(C[C@H](O)c1cccc(Br)c1)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000840316115 661153922 /nfs/dbraw/zinc/15/39/22/661153922.db2.gz QPCLZYCNUNLLAO-BBWFWOEESA-N 1 0 398.345 2.997 20 0 GFADRO OC1(CNc2ccc(Br)nn2)CC[NH+](Cc2ccccc2)CC1 ZINC000701733028 655521595 /nfs/dbraw/zinc/52/15/95/655521595.db2.gz AAZUHOPOQMEXLM-UHFFFAOYSA-N 1 0 377.286 2.678 20 0 GFADRO CCS(=O)(=O)C[C@@H](C)[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)CC(C)(C)C1 ZINC000710446464 655522482 /nfs/dbraw/zinc/52/24/82/655522482.db2.gz LUGYVHADICXTMD-HUUCEWRRSA-N 1 0 376.563 2.825 20 0 GFADRO CN(Cc1cccc(Br)n1)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000711725743 655522569 /nfs/dbraw/zinc/52/25/69/655522569.db2.gz JVDZJTHJEROEPL-IBGZPJMESA-N 1 0 390.325 2.913 20 0 GFADRO Cn1cc(C[NH2+]C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c(Br)n1 ZINC000712461236 655522727 /nfs/dbraw/zinc/52/27/27/655522727.db2.gz GEYYJDTYEMKPCP-LBPRGKRZSA-N 1 0 387.322 2.919 20 0 GFADRO Cn1cc(C[NH2+][C@H]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)c(Br)n1 ZINC000712470647 655522731 /nfs/dbraw/zinc/52/27/31/655522731.db2.gz NIPNVIYQGNWABJ-YPMHNXCESA-N 1 0 387.322 2.966 20 0 GFADRO Cn1cc(CN2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)c(Br)n1 ZINC000713862164 655522804 /nfs/dbraw/zinc/52/28/04/655522804.db2.gz WZDSTPLJOVVWQR-IYBDPMFKSA-N 1 0 375.314 2.746 20 0 GFADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2cc(Br)cnc2Cl)C1 ZINC000725879691 655528096 /nfs/dbraw/zinc/52/80/96/655528096.db2.gz XHXQZDGFVDKBCM-LBPRGKRZSA-N 1 0 390.709 2.584 20 0 GFADRO C[N@@H+]1CCC[C@@H]1CNC(=O)N1CCO[C@@H](c2ccccc2Br)C1 ZINC000726245117 655532478 /nfs/dbraw/zinc/53/24/78/655532478.db2.gz YCPBYEKNPJPKCQ-CZUORRHYSA-N 1 0 382.302 2.626 20 0 GFADRO CCn1cc(Br)cc1C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000726801255 655538520 /nfs/dbraw/zinc/53/85/20/655538520.db2.gz FQHGKPUYXUNNBS-HNNXBMFYSA-N 1 0 384.318 2.644 20 0 GFADRO C[NH+](C)CC(C)(C)CNC(=S)NCCOc1ccc(Br)cc1 ZINC000727085769 655541769 /nfs/dbraw/zinc/54/17/69/655541769.db2.gz SXYPENHJUFIVTR-UHFFFAOYSA-N 1 0 388.375 2.880 20 0 GFADRO C[NH+](C)[C@H](CNc1ccc(S(N)(=O)=O)c2cccnc12)c1cccs1 ZINC000728152282 655553336 /nfs/dbraw/zinc/55/33/36/655553336.db2.gz BRRYVCSYWAXBFP-CQSZACIVSA-N 1 0 376.507 2.659 20 0 GFADRO C[C@@H]1CCC[N@@H+](C(C)(C)CNS(=O)(=O)c2c(Cl)nc3sccn32)C1 ZINC000728584879 655557184 /nfs/dbraw/zinc/55/71/84/655557184.db2.gz NVDPLCVVISPFRX-LLVKDONJSA-N 1 0 390.962 2.838 20 0 GFADRO CC(C)(NC(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccc(Br)cc1 ZINC000729596775 655566015 /nfs/dbraw/zinc/56/60/15/655566015.db2.gz STLRIXBSXATEBD-JKSUJKDBSA-N 1 0 396.329 2.847 20 0 GFADRO C[N@H+](CCNC(=O)c1sccc1S(=O)(=O)C(F)F)C1CCCCC1 ZINC000731003233 655580580 /nfs/dbraw/zinc/58/05/80/655580580.db2.gz HLZLUTMUTGXOCM-UHFFFAOYSA-N 1 0 380.482 2.739 20 0 GFADRO C[NH+]1CCC(NC(=S)N[C@@H]2CCN(c3ccccc3Br)C2)CC1 ZINC000731949365 655589991 /nfs/dbraw/zinc/58/99/91/655589991.db2.gz KFEUBMLNEJUXAF-CQSZACIVSA-N 1 0 397.386 2.586 20 0 GFADRO CN(C(=O)/C=C\c1ccc(I)o1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000732036951 655591066 /nfs/dbraw/zinc/59/10/66/655591066.db2.gz ZQKIFOYYOBGMNN-HWPRWLFBSA-N 1 0 386.233 2.593 20 0 GFADRO C[NH+](C)CCOC1CCN(C(=O)CSc2nc3ccccc3s2)CC1 ZINC000733155684 655608419 /nfs/dbraw/zinc/60/84/19/655608419.db2.gz DRIGXAKUTJTQMW-UHFFFAOYSA-N 1 0 379.551 2.958 20 0 GFADRO CC[N@H+](C[C@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@H](C)CS(=O)(=O)CC ZINC000733199247 655609260 /nfs/dbraw/zinc/60/92/60/655609260.db2.gz WPRNMNAFAIIYMH-HZPDHXFCSA-N 1 0 376.563 2.779 20 0 GFADRO COCC[N@@H+]1CCC[C@H](NC(=O)Cc2ccc(Cl)cc2Br)C1 ZINC000733259503 655610810 /nfs/dbraw/zinc/61/08/10/655610810.db2.gz DWOCUJWOUVIFPT-AWEZNQCLSA-N 1 0 389.721 2.872 20 0 GFADRO O=C(NC1CC[NH+](C[C@H]2CCCO2)CC1)c1ccc(Br)cc1O ZINC000734242522 655628521 /nfs/dbraw/zinc/62/85/21/655628521.db2.gz IRENOHFZMPERBY-CQSZACIVSA-N 1 0 383.286 2.528 20 0 GFADRO CC[C@H](NC(=S)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)c1cccs1 ZINC000734375336 655630050 /nfs/dbraw/zinc/63/00/50/655630050.db2.gz CLJCYKSFVAAFMB-LSDHHAIUSA-N 1 0 382.599 2.606 20 0 GFADRO CCCS(=O)(=O)Nc1cccc(NC(=S)NCC(C)(C)C[NH+](C)C)c1 ZINC000737452530 655672488 /nfs/dbraw/zinc/67/24/88/655672488.db2.gz LDNGBQBQOAQCLT-UHFFFAOYSA-N 1 0 386.587 2.713 20 0 GFADRO Cc1[nH]nc(C(=O)Nc2ccc(C)cc2OCC[NH+](C)C)c1Br ZINC000737978835 655681462 /nfs/dbraw/zinc/68/14/62/655681462.db2.gz HCHBFFUGZDXJKZ-UHFFFAOYSA-N 1 0 381.274 2.982 20 0 GFADRO C[N@@H+]1CCC[C@@H](N2CCN(Cn3nc(-c4cccs4)oc3=S)CC2)C1 ZINC000738215954 655687173 /nfs/dbraw/zinc/68/71/73/655687173.db2.gz YDLDTVMCSYHTNP-CQSZACIVSA-N 1 0 379.555 2.603 20 0 GFADRO CC(C)(C)[N@@H+]1CCCN(C(=O)COc2ccc(C=O)cc2Br)CC1 ZINC000742595764 655719520 /nfs/dbraw/zinc/71/95/20/655719520.db2.gz NRPUFKFLKWQPSL-UHFFFAOYSA-N 1 0 397.313 2.973 20 0 GFADRO COc1ccc(Cl)c(NC(=S)NC[C@H](C(C)C)[NH+]2CCN(C)CC2)c1 ZINC000742982556 655724008 /nfs/dbraw/zinc/72/40/08/655724008.db2.gz NUQHXMYFLKJCDL-QGZVFWFLSA-N 1 0 384.977 2.907 20 0 GFADRO NS(=O)(=O)c1ccc(CC[N@@H+]2CC[C@H](CSc3ccccc3)C2)cc1 ZINC000744419947 655739824 /nfs/dbraw/zinc/73/98/24/655739824.db2.gz UYHNDNJWBGIJPH-KRWDZBQOSA-N 1 0 376.547 2.991 20 0 GFADRO C[C@@H]1C[NH+](CCC(=O)Nc2sc3c(c2C(N)=O)CCCC3)C[C@@H](C)S1 ZINC000744414103 655739879 /nfs/dbraw/zinc/73/98/79/655739879.db2.gz VQLHTTBRAGULNZ-VXGBXAGGSA-N 1 0 381.567 2.880 20 0 GFADRO C[N@H+](CC1CC1)C[C@H]1CCN(S(=O)(=O)c2cnc(Cl)c(Cl)c2)C1 ZINC000746053420 655757941 /nfs/dbraw/zinc/75/79/41/655757941.db2.gz KJRZINHIRBVOPS-GFCCVEGCSA-N 1 0 378.325 2.741 20 0 GFADRO C[NH+]1CCC(C(=O)Nc2ccnn2Cc2cccc(Br)c2)CC1 ZINC000746206159 655759098 /nfs/dbraw/zinc/75/90/98/655759098.db2.gz DEBLCWMCUVAELN-UHFFFAOYSA-N 1 0 377.286 2.974 20 0 GFADRO C[N@H+](CC1CC1)C[C@@H]1CCN(CN2C(=S)N=NC2Cc2cccs2)C1 ZINC000746381191 655760723 /nfs/dbraw/zinc/76/07/23/655760723.db2.gz FOBOIFXNCSQSPC-HNNXBMFYSA-N 1 0 377.583 2.840 20 0 GFADRO CC[NH+](CC)CCO[C@@H]1CCN(C[C@H](O)c2cccc(Br)c2)C1 ZINC000746676410 655766434 /nfs/dbraw/zinc/76/64/34/655766434.db2.gz UVRLHZMAYXVRSY-MSOLQXFVSA-N 1 0 385.346 2.915 20 0 GFADRO S=C(Nc1cccc(Br)c1)N1CC[NH+](C2CCOCC2)CC1 ZINC000747671196 655781798 /nfs/dbraw/zinc/78/17/98/655781798.db2.gz HWDQVKXRTIQLQC-UHFFFAOYSA-N 1 0 384.343 2.943 20 0 GFADRO CCc1c(Cl)nc(CS(C)(=O)=O)nc1NC[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000749091747 655799715 /nfs/dbraw/zinc/79/97/15/655799715.db2.gz IGOIEJGRLOBRKD-STQMWFEESA-N 1 0 388.965 2.769 20 0 GFADRO COC(=O)[C@H](c1ccc(Cl)c(Cl)c1)N(C)C[C@H](O)C[NH+]1CCCC1 ZINC000749153163 655801073 /nfs/dbraw/zinc/80/10/73/655801073.db2.gz VJVQSUDHTMIVNL-BBRMVZONSA-N 1 0 375.296 2.596 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CC2)C1 ZINC000749445678 655805154 /nfs/dbraw/zinc/80/51/54/655805154.db2.gz IRDZXMLLVDVBRT-HUUCEWRRSA-N 1 0 384.929 2.635 20 0 GFADRO C[C@@H]([NH2+]CC(C)(C)[C@@H]1COCC12OCCO2)c1nc(Br)cs1 ZINC000840798781 661189040 /nfs/dbraw/zinc/18/90/40/661189040.db2.gz XYNHDXWECQYLOH-MNOVXSKESA-N 1 0 391.331 2.972 20 0 GFADRO Brc1cc(C[NH2+]CCCNc2ncccn2)cc2c1OCCCO2 ZINC000751505713 655830248 /nfs/dbraw/zinc/83/02/48/655830248.db2.gz JOCSXNVBDFJHLA-UHFFFAOYSA-N 1 0 393.285 2.992 20 0 GFADRO CN(C)C(=O)c1cccc(C[NH2+]C[C@@H](O)c2ccccc2Br)c1 ZINC000751570774 655831074 /nfs/dbraw/zinc/83/10/74/655831074.db2.gz VOKRMHKTMIJBSH-QGZVFWFLSA-N 1 0 377.282 2.974 20 0 GFADRO O[C@H](C[NH2+][C@@H]1CCCN(c2ncccn2)C1)c1ccccc1Br ZINC000751574911 655831208 /nfs/dbraw/zinc/83/12/08/655831208.db2.gz KGXSNRQUDJJSJZ-CZUORRHYSA-N 1 0 377.286 2.531 20 0 GFADRO C[C@@H]1CC[N@H+](CN2C(=O)N[C@](C)(c3ccccc3Br)C2=O)[C@H]1C ZINC000751939075 655836432 /nfs/dbraw/zinc/83/64/32/655836432.db2.gz CWHAJUTXUOSFPX-BWACUDIHSA-N 1 0 380.286 2.904 20 0 GFADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)N1CCc2cc(Cl)cc(Cl)c2C1 ZINC000752370508 655842692 /nfs/dbraw/zinc/84/26/92/655842692.db2.gz OGEWRLWJJDJRMP-HUUCEWRRSA-N 1 0 384.307 2.924 20 0 GFADRO CC[C@H](CNC(=O)NC[C@H]1CSCCS1)[N@@H+]1CCc2ccccc2C1 ZINC000752868485 655847542 /nfs/dbraw/zinc/84/75/42/655847542.db2.gz RUDKKZRHIOSWGK-MSOLQXFVSA-N 1 0 379.595 2.971 20 0 GFADRO CCS(=O)(=O)NCCC[N@@H+](Cc1ccccc1)C[C@H](O)c1ccsc1 ZINC000753159989 655851020 /nfs/dbraw/zinc/85/10/20/655851020.db2.gz GYQDHBKHSISJOE-SFHVURJKSA-N 1 0 382.551 2.613 20 0 GFADRO OC[C@H](C[C@@H](O)c1ccccc1)[NH2+]Cc1ccccc1I ZINC000754083178 655863434 /nfs/dbraw/zinc/86/34/34/655863434.db2.gz UGCFIQJITBMGFJ-DOTOQJQBSA-N 1 0 397.256 2.865 20 0 GFADRO Cc1ccc(C(=O)OCC(=O)NC2CC[NH+](C(C)C)CC2)c(Br)c1 ZINC000754972428 655877621 /nfs/dbraw/zinc/87/76/21/655877621.db2.gz QNSFQNOTRJTEIB-UHFFFAOYSA-N 1 0 397.313 2.903 20 0 GFADRO Cc1ccc(-n2nc(Br)cc2C(=O)N[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000755336665 655882401 /nfs/dbraw/zinc/88/24/01/655882401.db2.gz YQYGZOUPOSESTG-ZDUSSCGKSA-N 1 0 377.286 2.767 20 0 GFADRO C[C@@H]1[C@H](C)N(C(=O)Nc2cc3c(cc2Br)OCCO3)CC[N@H+]1C ZINC000755446508 655883574 /nfs/dbraw/zinc/88/35/74/655883574.db2.gz OXSIPGCIKWDIDQ-MNOVXSKESA-N 1 0 384.274 2.777 20 0 GFADRO Cc1ccc(C(=O)N2CC[C@@H](OCC[NH+]3CCCCC3)C2)c(Br)n1 ZINC000755970009 655892123 /nfs/dbraw/zinc/89/21/23/655892123.db2.gz BNWVOSAADZJBOL-OAHLLOKOSA-N 1 0 396.329 2.870 20 0 GFADRO Cc1cc(C(=O)OCC(=O)NC2CC[NH+](C3CC3)CC2)ccc1Br ZINC000757781712 655916494 /nfs/dbraw/zinc/91/64/94/655916494.db2.gz SIFBXJDLFQVOBR-UHFFFAOYSA-N 1 0 395.297 2.657 20 0 GFADRO O=C(NC1CC[NH+](Cc2cccnc2)CC1)c1scnc1Br ZINC000758164041 655924670 /nfs/dbraw/zinc/92/46/70/655924670.db2.gz SNGVCHOQCSHMSG-UHFFFAOYSA-N 1 0 381.299 2.695 20 0 GFADRO C[C@@H]1CCCC[C@@]1(CNC(=O)OC(C)(C)C)[NH2+]CCCCS(C)(=O)=O ZINC000759707734 655961509 /nfs/dbraw/zinc/96/15/09/655961509.db2.gz IPCLQSFRMWNRHU-QAPCUYQASA-N 1 0 376.563 2.874 20 0 GFADRO C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)C[C@@H](O)c1ccc(Cl)c(F)c1 ZINC000759844304 655965117 /nfs/dbraw/zinc/96/51/17/655965117.db2.gz MBCPMFNEMIXUNB-PIGZYNQJSA-N 1 0 386.876 2.853 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)c1cnn(-c2ccccc2)c1Br)C1CC1 ZINC000760179247 655971246 /nfs/dbraw/zinc/97/12/46/655971246.db2.gz JOTNMOKYFZEASI-OAHLLOKOSA-N 1 0 377.286 2.705 20 0 GFADRO Cn1ncc(C(=O)NC[C@H]2CCC[N@@H+]2CC2CCCCC2)c1Br ZINC000760256569 655973859 /nfs/dbraw/zinc/97/38/59/655973859.db2.gz GNOYGWTUNXJQFW-CQSZACIVSA-N 1 0 383.334 2.957 20 0 GFADRO C[C@@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)c1cnn(C)c1Br ZINC000760346972 655976717 /nfs/dbraw/zinc/97/67/17/655976717.db2.gz SUCCMUIPMZSJDY-CQSZACIVSA-N 1 0 391.313 2.919 20 0 GFADRO C[C@]1(c2cccc(Br)c2)NC(=O)N([C@H]2CC[N@@H+]3CCC[C@H]3C2)C1=O ZINC000761077420 655998185 /nfs/dbraw/zinc/99/81/85/655998185.db2.gz QJSOAVIMZVCLMZ-RLFYNMQTSA-N 1 0 392.297 2.843 20 0 GFADRO C[C@@H]1C[C@@H](N2C(=O)CN(Cc3cccc(Br)c3)C2=O)CC[N@@H+]1C ZINC000761283242 656007577 /nfs/dbraw/zinc/00/75/77/656007577.db2.gz RVLVELFRKICJPH-DOMZBBRYSA-N 1 0 380.286 2.696 20 0 GFADRO CCS(=O)(=O)CCC[NH2+]Cc1c(C)nn(Cc2ccc(F)cc2)c1Cl ZINC000840973265 661223006 /nfs/dbraw/zinc/22/30/06/661223006.db2.gz HMOAWATZFIIRDN-UHFFFAOYSA-N 1 0 387.908 2.947 20 0 GFADRO Cc1sc(Cl)nc1C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000762841654 656060430 /nfs/dbraw/zinc/06/04/30/656060430.db2.gz LEOCGFIBTNDDLG-UHFFFAOYSA-N 1 0 378.929 2.653 20 0 GFADRO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)N[C@@H]1CC[C@H]2SCCS[C@H]12 ZINC000763006676 656067910 /nfs/dbraw/zinc/06/79/10/656067910.db2.gz ANCQQDQBSTYIDX-BSDSXHPESA-N 1 0 379.595 2.838 20 0 GFADRO C[N@H+](CC(=O)NCCc1ccc(Br)cc1F)[C@H]1CCSC1 ZINC000764192396 656104427 /nfs/dbraw/zinc/10/44/27/656104427.db2.gz NLBBBAKBIIEPGA-ZDUSSCGKSA-N 1 0 375.307 2.684 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000764232236 656105409 /nfs/dbraw/zinc/10/54/09/656105409.db2.gz VERYDRFYDWTNND-GJZGRUSLSA-N 1 0 382.302 2.996 20 0 GFADRO C[NH+](C)C(C)(C)CNC(=O)C(=O)Nc1ccc2cc(Br)ccc2c1 ZINC000764248267 656105674 /nfs/dbraw/zinc/10/56/74/656105674.db2.gz MZEDMEUEXCRPMM-UHFFFAOYSA-N 1 0 392.297 2.997 20 0 GFADRO C[NH+](C)CC(C)(C)CNC(=S)N1CCN(Cc2ccccc2Cl)CC1 ZINC000764502918 656112335 /nfs/dbraw/zinc/11/23/35/656112335.db2.gz KCKGAHINTXUQFL-UHFFFAOYSA-N 1 0 383.005 2.920 20 0 GFADRO C[C@H]([NH2+]C1CCC(O)(C(F)(F)F)CC1)c1cccc(NS(C)(=O)=O)c1 ZINC000765434820 656142979 /nfs/dbraw/zinc/14/29/79/656142979.db2.gz WWODYJCMCILIMR-ZOODHJKOSA-N 1 0 380.432 2.945 20 0 GFADRO COC(=O)N1CCC[C@H]([NH2+][C@@H](C)c2ccc(S(=O)(=O)C(F)F)cc2)C1 ZINC000765628518 656146243 /nfs/dbraw/zinc/14/62/43/656146243.db2.gz DHFJAVJMKRSPSO-AAEUAGOBSA-N 1 0 376.425 2.564 20 0 GFADRO CC[NH+](CC)CCOCCNC(=O)N1Cc2ccc(Br)cc2C1 ZINC000765893403 656154282 /nfs/dbraw/zinc/15/42/82/656154282.db2.gz LKCGFWVCTRLFON-UHFFFAOYSA-N 1 0 384.318 2.833 20 0 GFADRO C[C@@H](NC(=O)C1SCCCS1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000841098107 661232304 /nfs/dbraw/zinc/23/23/04/661232304.db2.gz CKIPRZYYLHTYIM-CYBMUJFWSA-N 1 0 383.558 2.951 20 0 GFADRO CS[C@H]1CN(S(=O)(=O)c2ccc3nc(Cl)sc3c2)C[C@@H]1[NH+](C)C ZINC000767315042 656199510 /nfs/dbraw/zinc/19/95/10/656199510.db2.gz KNIFQESQPYWPRC-AAEUAGOBSA-N 1 0 391.971 2.616 20 0 GFADRO CC(C)[C@H](CC[N@H+](C)CC1CCS(=O)(=O)CC1)NC(=O)OC(C)(C)C ZINC000767413637 656202168 /nfs/dbraw/zinc/20/21/68/656202168.db2.gz DFBXNWIWLRRCFW-INIZCTEOSA-N 1 0 376.563 2.682 20 0 GFADRO Cc1cc(Br)ncc1NC(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000768992963 656262649 /nfs/dbraw/zinc/26/26/49/656262649.db2.gz JXXNDZLVQKTWPS-LSDHHAIUSA-N 1 0 397.317 2.652 20 0 GFADRO O=C(c1ccnc(Br)c1)N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000769277332 656268952 /nfs/dbraw/zinc/26/89/52/656268952.db2.gz RNMLETCKBFXDQT-OAHLLOKOSA-N 1 0 382.302 2.561 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H](NC(=O)C(=O)Nc2ccc3cc(Br)ccc3c2)C1 ZINC000841225507 661245898 /nfs/dbraw/zinc/24/58/98/661245898.db2.gz ZXQPBXYRCRHWES-HUUCEWRRSA-N 1 0 390.281 2.927 20 0 GFADRO CC(C)[N@@H+]1CCC[C@@H](NC(=O)/C=C/c2ccc(I)o2)C1 ZINC000769657790 656284683 /nfs/dbraw/zinc/28/46/83/656284683.db2.gz UPEMHSCLGARTNT-WAFBPQNNSA-N 1 0 388.249 2.886 20 0 GFADRO C[NH2+]C[C@H]1CCN(C(=O)Nc2cc(C(F)(F)F)cc(Br)n2)C1 ZINC000841241230 661247745 /nfs/dbraw/zinc/24/77/45/661247745.db2.gz HOBGOCKCWAGPLH-MRVPVSSYSA-N 1 0 381.196 2.936 20 0 GFADRO Cc1cnc(Br)c(NC(=O)N2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)c1 ZINC000841248257 661248677 /nfs/dbraw/zinc/24/86/77/661248677.db2.gz SDMNDTUBHLSSLO-OCCSQVGLSA-N 1 0 383.290 2.513 20 0 GFADRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNS(=O)(=O)c1ccc2nc(Cl)cnc2c1 ZINC000772938378 656394508 /nfs/dbraw/zinc/39/45/08/656394508.db2.gz SEUUKBBBBHWMTK-CHWSQXEVSA-N 1 0 382.917 2.824 20 0 GFADRO COc1ccc(CC[C@H](C)[NH2+]CCNS(=O)(=O)c2ccc(C)s2)cc1 ZINC000773073464 656398785 /nfs/dbraw/zinc/39/87/85/656398785.db2.gz DDASUCZPRPOTLU-AWEZNQCLSA-N 1 0 382.551 2.954 20 0 GFADRO C[C@@H]([NH2+][C@H]1CCC(C)(C)C1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000773145819 656401164 /nfs/dbraw/zinc/40/11/64/656401164.db2.gz NADVJWMPFIFKSF-HIFRSBDPSA-N 1 0 388.555 2.642 20 0 GFADRO C[C@@H](CN1CCOCC1)[NH2+]C1CCN(Cc2ccccc2Br)CC1 ZINC000774394196 656525415 /nfs/dbraw/zinc/52/54/15/656525415.db2.gz ODQAQCUZWLPQDD-INIZCTEOSA-N 1 0 396.373 2.724 20 0 GFADRO O=C1c2ccccc2C(=O)N1CC[NH2+]C[C@H](O)c1c(Cl)cccc1Cl ZINC000775026960 656588428 /nfs/dbraw/zinc/58/84/28/656588428.db2.gz CKCSDFRAGVMHBB-HNNXBMFYSA-N 1 0 379.243 2.913 20 0 GFADRO COc1ccc(CN2CC[C@H]([NH2+][C@@H]3CC[C@@H]4SCCS[C@H]34)C2=O)cc1 ZINC000775409500 656637916 /nfs/dbraw/zinc/63/79/16/656637916.db2.gz NCWJSXYKKKCSID-VSZNYVQBSA-N 1 0 378.563 2.765 20 0 GFADRO Cc1cc(S(=O)(=O)NCC[NH2+][C@@H]2CC[C@@H]3SCCS[C@@H]23)c(C)s1 ZINC000775415615 656637993 /nfs/dbraw/zinc/63/79/93/656637993.db2.gz TVXKUWDHDWLLRO-IPYPFGDCSA-N 1 0 392.637 2.612 20 0 GFADRO CS(=O)(=O)C[C@@H]([NH2+]C[C@H](O)c1cccc(Br)c1)c1ccccc1 ZINC000775550087 656649210 /nfs/dbraw/zinc/64/92/10/656649210.db2.gz XEDJHMXGIVGODB-SJORKVTESA-N 1 0 398.322 2.858 20 0 GFADRO C[N@@H+](Cc1cccc(C(N)=O)c1)C[C@H](O)c1ccc(F)c(Br)c1 ZINC000775576599 656650063 /nfs/dbraw/zinc/65/00/63/656650063.db2.gz CEJMBSMQGHQDBV-INIZCTEOSA-N 1 0 381.245 2.853 20 0 GFADRO COC(=O)N1CCC[C@@H]([C@@H](C)[NH2+]CC(=O)Nc2ccccc2Br)C1 ZINC000775812876 656682035 /nfs/dbraw/zinc/68/20/35/656682035.db2.gz PVPXDNFFKOYENV-CHWSQXEVSA-N 1 0 398.301 2.844 20 0 GFADRO COC(=O)N1CCC[C@H]([C@@H](C)[NH2+]C[C@@H](O)c2cccc(Br)c2)C1 ZINC000775813402 656682427 /nfs/dbraw/zinc/68/24/27/656682427.db2.gz RPOHDXLEKHNJQQ-IVMMDQJWSA-N 1 0 385.302 2.939 20 0 GFADRO CCN1CC[NH+](C[C@H](C)CNC(=O)Nc2cc(Br)ncc2C)CC1 ZINC000776035569 656703481 /nfs/dbraw/zinc/70/34/81/656703481.db2.gz DOGYCROSYLMKCG-CYBMUJFWSA-N 1 0 398.349 2.548 20 0 GFADRO CC[NH+]1CCN(c2ccc(NC(=O)COC(=O)C(C)(Cl)Cl)cc2)CC1 ZINC000777226901 656815096 /nfs/dbraw/zinc/81/50/96/656815096.db2.gz NZAPIMDCVLXICG-UHFFFAOYSA-N 1 0 388.295 2.504 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1c(OC)ccc2nc(Cl)ccc21 ZINC000777851156 656838398 /nfs/dbraw/zinc/83/83/98/656838398.db2.gz LKMSRUZTBPMSBZ-GFCCVEGCSA-N 1 0 383.901 2.659 20 0 GFADRO C[N@H+](CC1CC1)C[C@H]1CCN(S(=O)(=O)c2c(Cl)ccnc2Cl)C1 ZINC000778011637 656852519 /nfs/dbraw/zinc/85/25/19/656852519.db2.gz ADUSNQGKPVVEEC-GFCCVEGCSA-N 1 0 378.325 2.741 20 0 GFADRO O=C(NOCc1ccc(F)cc1Br)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000780478927 657008962 /nfs/dbraw/zinc/00/89/62/657008962.db2.gz BZGZZGUFEGDDJG-AWEZNQCLSA-N 1 0 386.265 2.803 20 0 GFADRO COc1cc(C)c(Br)cc1S(=O)(=O)NCC[N@@H+]1CCC[C@@H]1C ZINC000780864614 657034037 /nfs/dbraw/zinc/03/40/37/657034037.db2.gz DAISJYAJMCMOSU-LBPRGKRZSA-N 1 0 391.331 2.529 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)CCC[N@@H+]1CCOC[C@@H]1CCO ZINC000782052329 657097410 /nfs/dbraw/zinc/09/74/10/657097410.db2.gz SZVXWTHYWAOXRI-INIZCTEOSA-N 1 0 399.329 2.868 20 0 GFADRO COC(=O)Cc1ccccc1C[NH2+][C@H](CO)c1cccc(Br)c1 ZINC000782081986 657101934 /nfs/dbraw/zinc/10/19/34/657101934.db2.gz BLQHASAHIUKGKW-QGZVFWFLSA-N 1 0 378.266 2.988 20 0 GFADRO C[NH+]1CCC(NC(=S)N2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)CC1 ZINC000782211556 657116210 /nfs/dbraw/zinc/11/62/10/657116210.db2.gz DCMGGRLFXOWPEU-CYBMUJFWSA-N 1 0 375.464 2.508 20 0 GFADRO CS[C@@H]1CN(S(=O)(=O)c2cccc3c2CCCC3)C[C@H]1[NH+]1CCCC1 ZINC000782483893 657149117 /nfs/dbraw/zinc/14/91/17/657149117.db2.gz RLNTYCFKRJIRGB-QZTJIDSGSA-N 1 0 380.579 2.766 20 0 GFADRO C[C@@H]1CCC[N@@H+]1CCNC(=O)[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000783922158 657274336 /nfs/dbraw/zinc/27/43/36/657274336.db2.gz VZSJGEYMXHBWQB-TZMCWYRMSA-N 1 0 384.307 2.947 20 0 GFADRO COC(=O)c1ccc(Cl)c(S(=O)(=O)NCC[C@H](C)[NH+]2CCCCC2)c1 ZINC000784473381 657311614 /nfs/dbraw/zinc/31/16/14/657311614.db2.gz SIEKKCFZEYWZGF-ZDUSSCGKSA-N 1 0 388.917 2.669 20 0 GFADRO Cn1nc(Br)cc1C[NH2+][C@@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)cc1 ZINC000785508310 657370452 /nfs/dbraw/zinc/37/04/52/657370452.db2.gz PVRPKZSGNAYAEO-CJNGLKHVSA-N 1 0 397.704 2.898 20 0 GFADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1Cc1c(Cl)n(C)nc1C(F)(F)F ZINC000785982128 657398944 /nfs/dbraw/zinc/39/89/44/657398944.db2.gz UTYLTFONTJRZAX-LLVKDONJSA-N 1 0 380.842 2.777 20 0 GFADRO CC[NH+](CC)CCN(C(=O)c1cnn(C)n1)c1cccc(Br)c1 ZINC000786032928 657401461 /nfs/dbraw/zinc/40/14/61/657401461.db2.gz ISYBYWALOLCDET-UHFFFAOYSA-N 1 0 380.290 2.566 20 0 GFADRO O=C(COC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)Nc1ccc(Br)cn1 ZINC000786887276 657481871 /nfs/dbraw/zinc/48/18/71/657481871.db2.gz YDGPYPLVXUFGQX-AWEZNQCLSA-N 1 0 396.285 2.733 20 0 GFADRO C[C@H](C[C@H](C)NC(=O)OC(C)(C)C)[NH2+]Cc1ccc(S(C)(=O)=O)s1 ZINC000786961405 657496005 /nfs/dbraw/zinc/49/60/05/657496005.db2.gz YSZHMJSXUUUSTM-NEPJUHHUSA-N 1 0 376.544 2.933 20 0 GFADRO Cc1csc(C(=O)N[C@@H](C[NH+](C)C)C(C)C)c1I ZINC000786978446 657499714 /nfs/dbraw/zinc/49/97/14/657499714.db2.gz ZEBFICMQESXOOQ-JTQLQIEISA-N 1 0 380.295 2.977 20 0 GFADRO CC1CC[NH+](C[C@@H]2CCCN(C(=O)c3ncc(Br)cn3)C2)CC1 ZINC000786995469 657502043 /nfs/dbraw/zinc/50/20/43/657502043.db2.gz NFZONFHRZIALPG-AWEZNQCLSA-N 1 0 381.318 2.823 20 0 GFADRO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)c1ncc(Br)cn1 ZINC000786998743 657503405 /nfs/dbraw/zinc/50/34/05/657503405.db2.gz KNDHHDGMQGFZJQ-HNNXBMFYSA-N 1 0 375.270 2.806 20 0 GFADRO Cc1csc(C(=O)NCC[N@H+]2CCC[C@H]2C)c1I ZINC000787489688 657560841 /nfs/dbraw/zinc/56/08/41/657560841.db2.gz SXANOHFHCUHQFH-SNVBAGLBSA-N 1 0 378.279 2.875 20 0 GFADRO CC(C)[NH+]1CCN(CCCOC(=O)c2cc(Br)ccc2O)CC1 ZINC000787592651 657572954 /nfs/dbraw/zinc/57/29/54/657572954.db2.gz QOJXLAUBFWIURU-UHFFFAOYSA-N 1 0 385.302 2.728 20 0 GFADRO COc1cc(C(=O)NC[C@@H]2CCC[N@H+](CC(C)C)C2)cnc1Br ZINC000788231621 657679779 /nfs/dbraw/zinc/67/97/79/657679779.db2.gz GYYDXPAPCHSKDD-ZDUSSCGKSA-N 1 0 384.318 2.951 20 0 GFADRO COc1cc(C(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)cnc1Br ZINC000788235013 657680809 /nfs/dbraw/zinc/68/08/09/657680809.db2.gz QCFIYEVWPKLHJR-ZDUSSCGKSA-N 1 0 382.302 2.657 20 0 GFADRO COc1cc(C(=O)N2CC[N@H+](C)CC23CCCCC3)cnc1Br ZINC000788450491 657720390 /nfs/dbraw/zinc/72/03/90/657720390.db2.gz PYYFPFJGCZHFKM-UHFFFAOYSA-N 1 0 382.302 2.943 20 0 GFADRO NC(=O)C1=NO[C@H](C[NH2+]Cc2ccc(-c3cccc(Br)c3)s2)C1 ZINC000789562166 657865710 /nfs/dbraw/zinc/86/57/10/657865710.db2.gz VZYOUQJPEVUDIQ-LBPRGKRZSA-N 1 0 394.294 2.897 20 0 GFADRO CC(C)[C@H](CNC(=O)c1cnc(Br)c(Cl)c1)N1CCOCC1 ZINC000790169204 657934360 /nfs/dbraw/zinc/93/43/60/657934360.db2.gz IDEVMQITIVGKES-ZDUSSCGKSA-N 1 0 390.709 2.584 20 0 GFADRO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(C(=S)Nc2ccsc2)CC1 ZINC000790309635 657950369 /nfs/dbraw/zinc/95/03/69/657950369.db2.gz ZTFNUGZTPPDWIX-UHFFFAOYSA-N 1 0 382.599 2.861 20 0 GFADRO COC(=O)c1c2cnn(C[N@@H+]3CCCSCC3)c2ccc1Br ZINC000790436275 657976018 /nfs/dbraw/zinc/97/60/18/657976018.db2.gz GQARWCUSKIJSKB-UHFFFAOYSA-N 1 0 384.299 2.982 20 0 GFADRO COC(=O)c1c2cnn(C[N@H+](C)C[C@@H]3CCCOC3)c2ccc1Br ZINC000790445407 657981338 /nfs/dbraw/zinc/98/13/38/657981338.db2.gz ITUCIPFGZQCBNQ-LBPRGKRZSA-N 1 0 396.285 2.901 20 0 GFADRO O=C(NCC[NH2+]Cc1cccc(I)c1)c1ccc(F)cc1 ZINC000790531926 657996618 /nfs/dbraw/zinc/99/66/18/657996618.db2.gz QQBZCBZLZUEMFP-UHFFFAOYSA-N 1 0 398.219 2.950 20 0 GFADRO OC[C@H](C[C@@H](O)c1ccccc1)[NH2+]Cc1cccc(I)c1 ZINC000790567169 657998687 /nfs/dbraw/zinc/99/86/87/657998687.db2.gz FFLHFBPZNBAAKQ-DLBZAZTESA-N 1 0 397.256 2.865 20 0 GFADRO C[C@@H]1C[N@@H+](CCCNC(=O)N2CC[C@]3(C)[C@H](C2)C3(Cl)Cl)C[C@H](C)O1 ZINC000790666045 658010457 /nfs/dbraw/zinc/01/04/57/658010457.db2.gz AKCIVZGVINISNN-KNCOVGOOSA-N 1 0 378.344 2.711 20 0 GFADRO C[C@@H]1CC[C@H]1[NH2+][C@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 ZINC000790745678 658018122 /nfs/dbraw/zinc/01/81/22/658018122.db2.gz DBWXFPYEBLXQCW-IVMMDQJWSA-N 1 0 387.343 2.990 20 0 GFADRO O=S(=O)(c1ccc(Br)cc1)N1CCC[C@@H]([NH2+]Cc2ccoc2)C1 ZINC000791002676 658053262 /nfs/dbraw/zinc/05/32/62/658053262.db2.gz NFBMDEITXAEMHV-OAHLLOKOSA-N 1 0 399.310 2.985 20 0 GFADRO COC(=O)/C=C1\SCC(=O)N1CCC[N@H+](C)Cc1ccccc1SC ZINC000791597738 658137080 /nfs/dbraw/zinc/13/70/80/658137080.db2.gz AXNBFQGHXTWSLU-BOPFTXTBSA-N 1 0 380.535 2.820 20 0 GFADRO C[NH+](C)CCCOC(=O)c1c(N)c(Br)ccc1Br ZINC000791906286 658202378 /nfs/dbraw/zinc/20/23/78/658202378.db2.gz DKOLHOAQGSTZCY-UHFFFAOYSA-N 1 0 380.080 2.902 20 0 GFADRO COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)NC[C@H](C)[NH+]1CCCCC1 ZINC000792209909 658250821 /nfs/dbraw/zinc/25/08/21/658250821.db2.gz FEZYUIDVAIYBJJ-NSHDSACASA-N 1 0 388.295 2.931 20 0 GFADRO C[NH+](C)CCCOC1CCN(C(=O)c2nc(Br)ccc2F)CC1 ZINC000792212335 658251480 /nfs/dbraw/zinc/25/14/80/658251480.db2.gz QDIBWQHTVGDFQY-UHFFFAOYSA-N 1 0 388.281 2.556 20 0 GFADRO C[N@H+](Cc1nnc(-c2ccc(Br)s2)o1)C1(CO)CCOCC1 ZINC000792410721 658277206 /nfs/dbraw/zinc/27/72/06/658277206.db2.gz YKGZKCKNTMOAHI-UHFFFAOYSA-N 1 0 388.287 2.534 20 0 GFADRO C[N@H+](CCCOC(=O)NC(N)=O)Cc1ccc(Br)cc1Cl ZINC000792411238 658278467 /nfs/dbraw/zinc/27/84/67/658278467.db2.gz VEUANMJBIQICOM-UHFFFAOYSA-N 1 0 378.654 2.729 20 0 GFADRO C[NH+]1CCN(c2ccc(Br)cc2NC(=O)C[C@H]2CCCOC2)CC1 ZINC000793246726 658375734 /nfs/dbraw/zinc/37/57/34/658375734.db2.gz RXSPGCYGBZMKPY-CQSZACIVSA-N 1 0 396.329 2.956 20 0 GFADRO CC1(C)[C@H]([NH2+]CCNS(=O)(=O)c2cccs2)C[C@@H]1Oc1ccccc1 ZINC000793551073 658404064 /nfs/dbraw/zinc/40/40/64/658404064.db2.gz UDRQXEJEOSFKRB-CVEARBPZSA-N 1 0 380.535 2.862 20 0 GFADRO Cc1ccc(/C=C\C(=O)N2CC[N@@H+](C[C@H](C)O)C[C@H]2C)c(Br)c1 ZINC000793874000 658452579 /nfs/dbraw/zinc/45/25/79/658452579.db2.gz KDKVCUBXGAACLZ-WJNHHXLDSA-N 1 0 381.314 2.684 20 0 GFADRO NC(=O)[C@H]([NH2+][C@@H]1CCc2ccccc2OC1)c1cccc(Br)c1 ZINC000794826242 658618761 /nfs/dbraw/zinc/61/87/61/658618761.db2.gz BIKROGQFKZFMFB-NVXWUHKLSA-N 1 0 375.266 2.959 20 0 GFADRO C[NH+]1CCC(NC(=S)NCc2cc(F)c(F)cc2Br)CC1 ZINC000795149479 658692983 /nfs/dbraw/zinc/69/29/83/658692983.db2.gz KGBNKXUDTCTPDO-UHFFFAOYSA-N 1 0 378.286 2.786 20 0 GFADRO O=C1c2c(cccc2Br)CN1CN1CCN(c2cc[nH+]cc2)CC1 ZINC000795407239 658814978 /nfs/dbraw/zinc/81/49/78/658814978.db2.gz VUBAYGCBBHYKLX-UHFFFAOYSA-N 1 0 387.281 2.580 20 0 GFADRO O=c1ccn(C[N@@H+]2CCO[C@@]3(CCCOC3)C2)c2c(Br)cccc12 ZINC000795639386 658838553 /nfs/dbraw/zinc/83/85/53/658838553.db2.gz RQSDPQUTOBBCPX-SFHVURJKSA-N 1 0 393.281 2.603 20 0 GFADRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1Cn1nc(Br)c(=O)c2ccccc21 ZINC000795705037 658842946 /nfs/dbraw/zinc/84/29/46/658842946.db2.gz INAMJJBXPCEFQQ-ZIAGYGMSSA-N 1 0 391.313 2.675 20 0 GFADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1cc(F)c(Br)c(Cl)c1 ZINC000795851739 658859538 /nfs/dbraw/zinc/85/95/38/658859538.db2.gz VCILTRJEMIORKC-QWRGUYRKSA-N 1 0 391.668 2.835 20 0 GFADRO COCC[NH+](CCOC)C1CCN(Cc2cc(Cl)nc(Cl)c2)CC1 ZINC000796517204 658921548 /nfs/dbraw/zinc/92/15/48/658921548.db2.gz TZIUKNHGZUTMTR-UHFFFAOYSA-N 1 0 376.328 2.948 20 0 GFADRO Cc1cc([C@H](C)[NH2+]CCNS(=O)(=O)c2cccc(Cl)c2Cl)n(C)n1 ZINC000797036048 658966561 /nfs/dbraw/zinc/96/65/61/658966561.db2.gz HZVNGEMWBSDJTI-NSHDSACASA-N 1 0 391.324 2.664 20 0 GFADRO COc1ccc(Cl)cc1C[NH2+]CCN(C)S(=O)(=O)c1ccc(F)cc1 ZINC000797878705 659062420 /nfs/dbraw/zinc/06/24/20/659062420.db2.gz BCSWJBOREVCXAW-UHFFFAOYSA-N 1 0 386.876 2.898 20 0 GFADRO NC(=O)C1([NH2+]Cc2ccc(I)c(Cl)c2)CCCC1 ZINC000797973611 659069213 /nfs/dbraw/zinc/06/92/13/659069213.db2.gz IMHAWFFPVILLII-UHFFFAOYSA-N 1 0 378.641 2.832 20 0 GFADRO OC[C@]1([NH2+]C[C@H](O)c2ccc(Br)cc2)CCOc2ccccc21 ZINC000799337822 659183277 /nfs/dbraw/zinc/18/32/77/659183277.db2.gz RDEUTUDTGNUWLN-FUHWJXTLSA-N 1 0 378.266 2.742 20 0 GFADRO C[C@H]([NH2+]CCNS(=O)(=O)c1ccc(F)cc1F)c1ccnc(Cl)c1 ZINC000799724949 659217330 /nfs/dbraw/zinc/21/73/30/659217330.db2.gz BQRHLZPZAHEGII-JTQLQIEISA-N 1 0 375.828 2.642 20 0 GFADRO Cc1nn(C)c(Cl)c1S(=O)(=O)NCC[NH+]1CCC2(CCCCC2)CC1 ZINC000799822902 659232182 /nfs/dbraw/zinc/23/21/82/659232182.db2.gz QJUDWEMEEDIGHA-UHFFFAOYSA-N 1 0 388.965 2.707 20 0 GFADRO C[N@H+](CCNC(=O)NC[C@H](O)c1cccc(Br)c1)C1CCCC1 ZINC000799920940 659244986 /nfs/dbraw/zinc/24/49/86/659244986.db2.gz MHRACTBAHCMPEY-INIZCTEOSA-N 1 0 384.318 2.656 20 0 GFADRO C[C@H](CNC(=O)NC[C@H](O)c1cccc(Br)c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000799926279 659245757 /nfs/dbraw/zinc/24/57/57/659245757.db2.gz KOCSHAOYJQRVFL-CPUCHLNUSA-N 1 0 398.345 2.902 20 0 GFADRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)NC[C@H](O)c2cccc(Br)c2)C1 ZINC000799940365 659247360 /nfs/dbraw/zinc/24/73/60/659247360.db2.gz UDTHOPJAQQZUBK-BBRMVZONSA-N 1 0 384.318 2.512 20 0 GFADRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)NC[C@H](O)c1cccc(Br)c1 ZINC000799938732 659247916 /nfs/dbraw/zinc/24/79/16/659247916.db2.gz FZDOTDSOSBWQBB-ZQIUZPCESA-N 1 0 398.345 2.902 20 0 GFADRO O=C(OCCC[NH+]1CCCC1)[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000800141518 659276214 /nfs/dbraw/zinc/27/62/14/659276214.db2.gz DEHJCHURXJCTTL-INIZCTEOSA-N 1 0 395.297 2.831 20 0 GFADRO C[C@@H]([NH2+]C[C@H](O)c1cccc(Br)c1)c1cccc(-n2cnnn2)c1 ZINC000800497460 659312878 /nfs/dbraw/zinc/31/28/78/659312878.db2.gz IKCXZDCGLYALAU-PXAZEXFGSA-N 1 0 388.269 2.809 20 0 GFADRO C[C@@H](CS(=O)(=O)c1ccccc1)[NH2+]C[C@H](O)c1cccc(Br)c1 ZINC000800495832 659312942 /nfs/dbraw/zinc/31/29/42/659312942.db2.gz HBUGETASMUWGSY-GUYCJALGSA-N 1 0 398.322 2.935 20 0 GFADRO CC(C)[N@@H+]1CC[C@H](CNC(=O)NC[C@@H](O)c2cccc(Br)c2)C1 ZINC000801674141 659410471 /nfs/dbraw/zinc/41/04/71/659410471.db2.gz UDTHOPJAQQZUBK-CZUORRHYSA-N 1 0 384.318 2.512 20 0 GFADRO C[C@@H](CNC(=O)NC[C@@H](O)c1cccc(Br)c1)[NH+]1CCC(C)CC1 ZINC000801754236 659423008 /nfs/dbraw/zinc/42/30/08/659423008.db2.gz BKHOCYHCCDFNRD-WMLDXEAASA-N 1 0 398.345 2.902 20 0 GFADRO O=C1c2cc(Br)ccc2CN1CN1CC[C@H]([NH+]2CCCCC2)C1 ZINC000802729231 659498539 /nfs/dbraw/zinc/49/85/39/659498539.db2.gz JFOOSZTXIVZHEH-INIZCTEOSA-N 1 0 378.314 2.923 20 0 GFADRO C[Si](C)(C)C[N@@H+]1CCCN(S(=O)(=O)c2cccc3cnccc32)CC1 ZINC000805747769 659806764 /nfs/dbraw/zinc/80/67/64/659806764.db2.gz HCEDKBFKSMUFEW-UHFFFAOYSA-N 1 0 377.586 2.809 20 0 GFADRO Cc1cc(S(=O)(=O)NCC[NH2+][C@@H]2CCc3nc(Cl)ccc32)c(C)s1 ZINC000806148004 659826218 /nfs/dbraw/zinc/82/62/18/659826218.db2.gz BUKDKXJOTIUYKA-CYBMUJFWSA-N 1 0 385.942 2.969 20 0 GFADRO CC[NH+]1CCN(c2cccc(NC(=O)NCC(F)(F)Br)c2)CC1 ZINC000806431593 659831794 /nfs/dbraw/zinc/83/17/94/659831794.db2.gz ZTODCDUTERQGQO-UHFFFAOYSA-N 1 0 391.260 2.938 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CNC(=S)NC[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000806594040 659836615 /nfs/dbraw/zinc/83/66/15/659836615.db2.gz MKFTXCADKHUPKY-CABCVRRESA-N 1 0 375.460 2.687 20 0 GFADRO O=C(CCSc1ccccc1Br)N[C@@H](CO)C[NH+]1CCCC1 ZINC000808218454 659882603 /nfs/dbraw/zinc/88/26/03/659882603.db2.gz IDFQISRISQVZSF-CYBMUJFWSA-N 1 0 387.343 2.504 20 0 GFADRO O=C(Cc1csc(-c2ccc(Cl)cc2)n1)N[C@@H](CO)C[NH+]1CCCC1 ZINC000808225222 659882976 /nfs/dbraw/zinc/88/29/76/659882976.db2.gz ZCFGDNSVGPVNRS-MRXNPFEDSA-N 1 0 379.913 2.579 20 0 GFADRO COC(=O)N1CC([NH2+]Cc2cc(Br)cc(Br)c2)C1 ZINC000808396684 659893192 /nfs/dbraw/zinc/89/31/92/659893192.db2.gz VQCATUNQCDRIEM-UHFFFAOYSA-N 1 0 378.064 2.752 20 0 GFADRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]C[C@@H](O)c3ccccc3Br)[C@H]2C1 ZINC000808783628 659906477 /nfs/dbraw/zinc/90/64/77/659906477.db2.gz SSMPXMZVDAXWHE-QXRTWZOPSA-N 1 0 381.314 2.719 20 0 GFADRO CN(C)c1ccc(NC(=O)CC[N@H+](C)CCn2cc(Br)cn2)cc1 ZINC000808801853 659907034 /nfs/dbraw/zinc/90/70/34/659907034.db2.gz CKTHGWJOSWNTPC-UHFFFAOYSA-N 1 0 394.317 2.672 20 0 GFADRO CN(C)CC[N@H+](C)CCCNC(=S)Nc1ccc(OC(F)(F)F)cc1 ZINC000809160815 659918761 /nfs/dbraw/zinc/91/87/61/659918761.db2.gz FBCLZVIFCZYSRH-UHFFFAOYSA-N 1 0 378.464 2.755 20 0 GFADRO CC(C)(C)OC(=O)N(CC[NH2+]CCC1CCS(=O)(=O)CC1)C(C)(C)C ZINC000809629113 659934530 /nfs/dbraw/zinc/93/45/30/659934530.db2.gz DIAVHDSJXBSZJD-UHFFFAOYSA-N 1 0 376.563 2.827 20 0 GFADRO C[C@@H](O)c1ncc(C[NH2+]C[C@H](CO)Cc2ccc(Br)cc2)s1 ZINC000809654142 659935547 /nfs/dbraw/zinc/93/55/47/659935547.db2.gz SHLHBBOMSWLCFH-DGCLKSJQSA-N 1 0 385.327 2.900 20 0 GFADRO CN1CC[C@@H]([NH2+]CCCNC(=O)C(F)(F)F)[C@H]1c1ccc(Cl)c(F)c1 ZINC000810062977 659958682 /nfs/dbraw/zinc/95/86/82/659958682.db2.gz NBYRPSVTGLQMEV-ZIAGYGMSSA-N 1 0 381.801 2.883 20 0 GFADRO O=C(NC[C@H]1CCC[N@@H+](C[C@@H](O)Cc2cccc(Cl)c2)C1)C(F)(F)F ZINC000810069444 659959100 /nfs/dbraw/zinc/95/91/00/659959100.db2.gz DWICKUTUNIFYOD-HIFRSBDPSA-N 1 0 378.822 2.634 20 0 GFADRO O=C(NC[C@@H]1CCC[N@@H+](C[C@H](O)Cc2cccc(Cl)c2)C1)C(F)(F)F ZINC000810069443 659959177 /nfs/dbraw/zinc/95/91/77/659959177.db2.gz DWICKUTUNIFYOD-DZGCQCFKSA-N 1 0 378.822 2.634 20 0 GFADRO CSC1(CNS(=O)(=O)c2cc(C(C)=O)ccc2Cl)CC[NH+](C)CC1 ZINC000810084121 659960389 /nfs/dbraw/zinc/96/03/89/659960389.db2.gz RIKXGJYKTJUKDP-UHFFFAOYSA-N 1 0 390.958 2.648 20 0 GFADRO COc1ccc([C@H](O)C[NH2+]Cc2cn3ccc(Br)cc3n2)cc1 ZINC000810129251 659963998 /nfs/dbraw/zinc/96/39/98/659963998.db2.gz SNJNFSIKRHLODB-MRXNPFEDSA-N 1 0 376.254 2.929 20 0 GFADRO Brc1ccccc1-n1cc(C[NH2+]C[C@H]2CSCCS2)nn1 ZINC000810147653 659964800 /nfs/dbraw/zinc/96/48/00/659964800.db2.gz JITHCEZNBCPLDZ-LBPRGKRZSA-N 1 0 385.356 2.968 20 0 GFADRO CS(=O)(=O)c1ccc(OCC[NH2+]Cc2ccnc(Cl)c2Cl)cc1 ZINC000811477880 660009832 /nfs/dbraw/zinc/00/98/32/660009832.db2.gz HNKXUVNZSDIWHW-UHFFFAOYSA-N 1 0 375.277 2.961 20 0 GFADRO CCCC[N@H+](C)C[C@H](C)NC(=O)c1cccnc1I ZINC000811583471 660013048 /nfs/dbraw/zinc/01/30/48/660013048.db2.gz JGMDGNMEXRIZIY-NSHDSACASA-N 1 0 375.254 2.536 20 0 GFADRO CCN(C[C@H](C)OC)CN1C(=O)C[C@@](C)(c2ccc(Br)cc2)C1=O ZINC000812303081 660023063 /nfs/dbraw/zinc/02/30/63/660023063.db2.gz KTERLHRTXORLGZ-UGSOOPFHSA-N 1 0 397.313 2.780 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(-n4cc(Br)cn4)cc3)C[C@@H]2C1 ZINC000812338930 660024946 /nfs/dbraw/zinc/02/49/46/660024946.db2.gz QZJRLRKNKPZTBG-CABCVRRESA-N 1 0 389.297 2.659 20 0 GFADRO O=S(=O)(N1CCC([NH2+][C@@H]2CCCc3c(O)cccc32)CC1)C(F)(F)F ZINC000812720795 660033922 /nfs/dbraw/zinc/03/39/22/660033922.db2.gz PEIGAUYFGFZROX-CQSZACIVSA-N 1 0 378.416 2.673 20 0 GFADRO C[C@H]1CN(C(=O)C[N@@H+]2CC[C@H](Cc3ccc(Br)cc3)C2)CCO1 ZINC000814677148 660093620 /nfs/dbraw/zinc/09/36/20/660093620.db2.gz APKBQGFPLGWXHA-GOEBONIOSA-N 1 0 381.314 2.561 20 0 GFADRO NC(=O)NC(=O)OCCC[N@@H+]1CC[C@@H](Cc2ccc(Br)cc2)C1 ZINC000814676979 660093628 /nfs/dbraw/zinc/09/36/28/660093628.db2.gz KZTGJNZEFNTDOQ-ZDUSSCGKSA-N 1 0 384.274 2.509 20 0 GFADRO C[C@@H]([NH2+]CC(=O)Nc1cccnc1Cl)C1CCN(CC(F)(F)F)CC1 ZINC000815110235 660112905 /nfs/dbraw/zinc/11/29/05/660112905.db2.gz GWUBOFXGGAQGSX-LLVKDONJSA-N 1 0 378.826 2.926 20 0 GFADRO COCCOCC[N@H+](C)C[C@@](C)(O)c1ccc(Br)cc1Cl ZINC000815119680 660113844 /nfs/dbraw/zinc/11/38/44/660113844.db2.gz DIEIASYTSWEGIU-OAHLLOKOSA-N 1 0 380.710 2.905 20 0 GFADRO CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+]CC(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000816542771 660160686 /nfs/dbraw/zinc/16/06/86/660160686.db2.gz AIFDVTAOAOYHGM-NWDGAFQWSA-N 1 0 379.309 2.877 20 0 GFADRO CC[S@@](=O)CC[NH2+]C1CCC(NC(=O)COc2ccc(Cl)cc2)CC1 ZINC000816551356 660160875 /nfs/dbraw/zinc/16/08/75/660160875.db2.gz YSACDIKYCXHTIX-ZLWIMJCWSA-N 1 0 386.945 2.504 20 0 GFADRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1cn2c(Br)cnc2s1 ZINC000816662923 660164662 /nfs/dbraw/zinc/16/46/62/660164662.db2.gz CZHNSQLQTYWWTO-GHMZBOCLSA-N 1 0 383.315 2.857 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)[C@H]1CSC(c2ccccc2O)=N1)c1cccs1 ZINC000816815781 660169420 /nfs/dbraw/zinc/16/94/20/660169420.db2.gz CSUCVVIPZKWPIV-ZIAGYGMSSA-N 1 0 375.519 2.735 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)[C@H]1CSC(c2ccccc2O)=N1)c1ccsc1 ZINC000816857592 660170608 /nfs/dbraw/zinc/17/06/08/660170608.db2.gz LOXWVRUZVQUJTH-HUUCEWRRSA-N 1 0 375.519 2.735 20 0 GFADRO O=C(NCCOc1cccc(Br)c1)N1CCC2(C1)CC[NH2+]CC2 ZINC000841725164 661311088 /nfs/dbraw/zinc/31/10/88/661311088.db2.gz HYSMUXXAKKODAH-UHFFFAOYSA-N 1 0 382.302 2.613 20 0 GFADRO O=C(NC[C@@H]1CCCC[NH2+]1)N1CCO[C@@H](c2ccccc2Br)C1 ZINC000841920438 661317726 /nfs/dbraw/zinc/31/77/26/661317726.db2.gz FKOZFMLOAMVVBC-XJKSGUPXSA-N 1 0 382.302 2.674 20 0 GFADRO [NH3+][C@@H]1CN(S(=O)(=O)c2c(Cl)ccnc2Cl)C[C@H]1c1cccc(F)c1 ZINC000842484497 661341633 /nfs/dbraw/zinc/34/16/33/661341633.db2.gz GMRWBDZKPRNXFQ-WCQYABFASA-N 1 0 390.267 2.643 20 0 GFADRO [NH3+][C@@H]1CCCO[C@H]1C1CCN(S(=O)(=O)/C=C\c2ccc(Cl)cc2)CC1 ZINC000842485506 661341770 /nfs/dbraw/zinc/34/17/70/661341770.db2.gz IRGBVVOIYZLZNA-MOUUPJEKSA-N 1 0 384.929 2.859 20 0 GFADRO O=C([C@@H](c1ccc(Br)cc1)N1CCCC1)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000842511438 661342746 /nfs/dbraw/zinc/34/27/46/661342746.db2.gz ASFXMPNSLHCTES-IEBWSBKVSA-N 1 0 392.341 2.941 20 0 GFADRO C[NH2+]C[C@@H](C)c1noc(CCNC(=O)Nc2ccc(Br)cc2)n1 ZINC000842581174 661344339 /nfs/dbraw/zinc/34/43/39/661344339.db2.gz WRSHYCPTONQBBM-SNVBAGLBSA-N 1 0 382.262 2.519 20 0 GFADRO [NH3+]C[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Br)cc2Cl)C1 ZINC000842696045 661349746 /nfs/dbraw/zinc/34/97/46/661349746.db2.gz KBIRNUQOBDGMHF-JTQLQIEISA-N 1 0 381.723 2.603 20 0 GFADRO [NH3+]CCc1ccc(CNS(=O)(=O)Cc2cccc(Br)c2)cc1 ZINC000842703151 661350173 /nfs/dbraw/zinc/35/01/73/661350173.db2.gz UXPSYMJLXQNICX-UHFFFAOYSA-N 1 0 383.311 2.570 20 0 GFADRO CC(C)[N@@H+]1CCC[C@H](COC(=O)c2cnn3cc(Br)cnc23)C1 ZINC000842831004 661356918 /nfs/dbraw/zinc/35/69/18/661356918.db2.gz PQXJIPOHUCOXSP-LBPRGKRZSA-N 1 0 381.274 2.769 20 0 GFADRO O=S(=O)(/C=C/c1cccc(Br)c1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000842871359 661358157 /nfs/dbraw/zinc/35/81/57/661358157.db2.gz BORICAGZCILOLZ-QHLGLPELSA-N 1 0 385.327 2.681 20 0 GFADRO O[C@@H](C[NH2+]C[C@H](O)COc1ccc(Br)cc1)c1ccccc1F ZINC000843067546 661366007 /nfs/dbraw/zinc/36/60/07/661366007.db2.gz ZGYBKSQPDPYIHQ-GUYCJALGSA-N 1 0 384.245 2.651 20 0 GFADRO O[C@@H](C[NH2+]C[C@H](O)COc1ccc(Br)cc1)c1cccc(F)c1 ZINC000843069127 661366182 /nfs/dbraw/zinc/36/61/82/661366182.db2.gz JUXHIIVYQSDTBT-RDJZCZTQSA-N 1 0 384.245 2.651 20 0 GFADRO O[C@H](C[NH2+]C[C@H](O)c1cccc(F)c1)COc1cccc(Br)c1 ZINC000843069417 661366193 /nfs/dbraw/zinc/36/61/93/661366193.db2.gz KMACCCCUIYASRW-WBVHZDCISA-N 1 0 384.245 2.651 20 0 GFADRO CC(C)(C)OC(=O)NC[C@@](C)(O)C[NH2+]C[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000843079886 661366845 /nfs/dbraw/zinc/36/68/45/661366845.db2.gz FHAOMTJZBDKBJT-YOEHRIQHSA-N 1 0 393.311 2.892 20 0 GFADRO CC(C)(C)OC(=O)NC[C@](C)(O)C[NH2+]C[C@H](O)c1c(Cl)cccc1Cl ZINC000843082632 661366947 /nfs/dbraw/zinc/36/69/47/661366947.db2.gz DAYWYZZKAPNPGH-SUMWQHHRSA-N 1 0 393.311 2.892 20 0 GFADRO Ic1ccccc1CN1CC[NH2+]C[C@H]1c1cccnc1 ZINC000843117651 661369711 /nfs/dbraw/zinc/36/97/11/661369711.db2.gz RQQBQLSEPLVOBA-INIZCTEOSA-N 1 0 379.245 2.833 20 0 GFADRO Clc1ccc(O[C@H]2CCOC2)c(-c2noc(C[C@@H]3CSCC[NH2+]3)n2)c1 ZINC000843210225 661372918 /nfs/dbraw/zinc/37/29/18/661372918.db2.gz VZHLGPIXNBYDCA-OLZOCXBDSA-N 1 0 381.885 2.805 20 0 GFADRO COc1nc(-c2noc(CC[C@H]([NH3+])c3ccccc3)n2)ncc1Br ZINC000843212339 661373028 /nfs/dbraw/zinc/37/30/28/661373028.db2.gz GCZSKHORZHVFPF-LBPRGKRZSA-N 1 0 390.241 2.930 20 0 GFADRO O=C(Cc1noc(C[C@H]2CSCC[NH2+]2)n1)Nc1cccc(Cl)c1Cl ZINC000843214592 661373333 /nfs/dbraw/zinc/37/33/33/661373333.db2.gz HAHDJVCXCLHOKW-VIFPVBQESA-N 1 0 387.292 2.805 20 0 GFADRO C[C@@]1(c2nc(COc3ccc(I)cc3)no2)CC[NH2+]C1 ZINC000843227336 661374305 /nfs/dbraw/zinc/37/43/05/661374305.db2.gz YZGSORHWXUMOKB-CQSZACIVSA-N 1 0 385.205 2.504 20 0 GFADRO COC(=O)[C@H]1C[NH2+]CCCN1Cc1cc2ccc(SC)cc2nc1Cl ZINC000843384612 661378864 /nfs/dbraw/zinc/37/88/64/661378864.db2.gz UXOHYQUSLDPXBQ-MRXNPFEDSA-N 1 0 379.913 2.947 20 0 GFADRO CN(CCC[NH+]1CCN(C)CC1)Cc1cc(Br)cnc1Cl ZINC000843409504 661380374 /nfs/dbraw/zinc/38/03/74/661380374.db2.gz IYEUWQOARWWIAC-UHFFFAOYSA-N 1 0 375.742 2.567 20 0 GFADRO CC(C)(CNC(=O)COC1(C)C[NH2+]C1)Sc1ccc(Br)cc1 ZINC000843445177 661381640 /nfs/dbraw/zinc/38/16/40/661381640.db2.gz XZVTWGLAQLHCIU-UHFFFAOYSA-N 1 0 387.343 2.815 20 0 GFADRO O=C(COc1ccc(Br)cc1F)Nc1cnn(C2CC[NH2+]CC2)c1 ZINC000843456268 661382128 /nfs/dbraw/zinc/38/21/28/661382128.db2.gz QDWVITDZARZUPB-UHFFFAOYSA-N 1 0 397.248 2.727 20 0 GFADRO [NH3+]CCCCCCNC(=O)[C@@H]1CCCN1C(=O)c1ccc(Br)cc1 ZINC000843510766 661383790 /nfs/dbraw/zinc/38/37/90/661383790.db2.gz VZYAXICSRAJYBD-INIZCTEOSA-N 1 0 396.329 2.689 20 0 GFADRO CN(CN1CC(c2ccc(Br)cc2)=CC1=O)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000844693171 661434196 /nfs/dbraw/zinc/43/41/96/661434196.db2.gz WAQPUIIWZRLZQE-SFHVURJKSA-N 1 0 390.325 2.801 20 0 GFADRO C[NH+](C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCc1ccc(Cl)s1 ZINC000845221637 661460655 /nfs/dbraw/zinc/46/06/55/661460655.db2.gz LNGWDRGYOWOZJF-ZDUSSCGKSA-N 1 0 389.949 2.905 20 0 GFADRO CC(C)Oc1cc(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)ccc1Br ZINC000845344948 661467510 /nfs/dbraw/zinc/46/75/10/661467510.db2.gz YRZJUDWCFHVSQY-HUUCEWRRSA-N 1 0 397.313 2.829 20 0 GFADRO C[C@@H](C[NH+]1CCCC1)OC(=O)[C@H]1CCN(c2ccccc2Br)C1=O ZINC000845673140 661488348 /nfs/dbraw/zinc/48/83/48/661488348.db2.gz QGTMDRWOJNUWFF-KBPBESRZSA-N 1 0 395.297 2.830 20 0 GFADRO CC(=O)N[C@@H](CC(=O)OC[C@@H]1CC[N@H+](C)[C@@H]1C)c1ccc(Br)cc1 ZINC000845815426 661498589 /nfs/dbraw/zinc/49/85/89/661498589.db2.gz ZSOFVAWATCAWRL-PVUWLOKVSA-N 1 0 397.313 2.900 20 0 GFADRO CCON(C)C(=O)C[NH2+]Cc1cc(Br)c(OC(F)F)c(OC)c1 ZINC000846066112 661528949 /nfs/dbraw/zinc/52/89/49/661528949.db2.gz YVWUENNNWWYJJO-UHFFFAOYSA-N 1 0 397.216 2.559 20 0 GFADRO [NH3+]C[C@]12CCC[C@H]1CN(C(=O)NCCc1ccc(Br)cc1F)C2 ZINC000846144706 661534250 /nfs/dbraw/zinc/53/42/50/661534250.db2.gz JVJYTESQHDZIKE-GUYCJALGSA-N 1 0 384.293 2.901 20 0 GFADRO Cn1nc(C(F)(F)F)c(CN2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)c1Cl ZINC000846227403 661538809 /nfs/dbraw/zinc/53/88/09/661538809.db2.gz QJDQCNHWMATUCD-UHTWSYAYSA-N 1 0 380.842 2.953 20 0 GFADRO CC(C)C[N@H+](C)CCCNC(=O)COc1ccc(C=O)cc1Br ZINC000846290836 661543393 /nfs/dbraw/zinc/54/33/93/661543393.db2.gz HJUCSADHYLBFSP-UHFFFAOYSA-N 1 0 385.302 2.735 20 0 GFADRO CN(CC[NH+]1CCCCC1)C(=O)c1cn(-c2ccccc2Br)nn1 ZINC000846611313 661559553 /nfs/dbraw/zinc/55/95/53/661559553.db2.gz DDFBRNHEYFJPFT-UHFFFAOYSA-N 1 0 392.301 2.588 20 0 GFADRO COCC[C@H](Cc1cccc(Br)c1)C(=O)NOC1CC[NH+](C)CC1 ZINC000846648932 661560503 /nfs/dbraw/zinc/56/05/03/661560503.db2.gz ZYDNYOLJQHNXIG-OAHLLOKOSA-N 1 0 399.329 2.786 20 0 GFADRO C[C@]([NH3+])(C(=O)NC[C@](C)(O)c1ccsc1)c1ccc(Br)cc1 ZINC000846687970 661561939 /nfs/dbraw/zinc/56/19/39/661561939.db2.gz RCDHHYFFMLEERN-JKSUJKDBSA-N 1 0 383.311 2.708 20 0 GFADRO CN(CCC[NH+]1CCCC1)C(=O)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000847101054 661576379 /nfs/dbraw/zinc/57/63/79/661576379.db2.gz WXJUQJRRFMKTEA-UHFFFAOYSA-N 1 0 378.416 2.538 20 0 GFADRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)c2cnc(F)c(Br)c2)C1 ZINC000847543910 661596316 /nfs/dbraw/zinc/59/63/16/661596316.db2.gz SHHZBKYRYADHNS-CYBMUJFWSA-N 1 0 388.281 2.556 20 0 GFADRO C[C@@H]1C[N@@H+](CCCCNC(=O)c2cnc(F)c(Br)c2)C[C@H](C)O1 ZINC000847552644 661597121 /nfs/dbraw/zinc/59/71/21/661597121.db2.gz GYABZSWPELBGNZ-TXEJJXNPSA-N 1 0 388.281 2.602 20 0 GFADRO COCC[NH+]1CCC(OC(=O)c2csc(I)c2)CC1 ZINC000847883438 661615074 /nfs/dbraw/zinc/61/50/74/661615074.db2.gz IAIQWOIDZBDFKN-UHFFFAOYSA-N 1 0 395.262 2.620 20 0 GFADRO O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1c(Br)nc2n1CCCC2 ZINC000848352101 661643065 /nfs/dbraw/zinc/64/30/65/661643065.db2.gz LIIOEPYYRKVDLO-CHWSQXEVSA-N 1 0 381.318 2.729 20 0 GFADRO Cn1c(Cl)ncc1C[NH2+]CCCNC(=O)c1cccc(Br)c1 ZINC000848532970 661661960 /nfs/dbraw/zinc/66/19/60/661661960.db2.gz NPXYPHOKRLLXSY-UHFFFAOYSA-N 1 0 385.693 2.746 20 0 GFADRO CN(Cc1ccccc1Br)C(=O)CC[NH2+]Cc1cnc(Cl)n1C ZINC000848535880 661662422 /nfs/dbraw/zinc/66/24/22/661662422.db2.gz LLPITJFHLPLIJZ-UHFFFAOYSA-N 1 0 399.720 2.974 20 0 GFADRO Cn1c(Cl)ncc1C[NH2+]CCOc1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000848545383 661662994 /nfs/dbraw/zinc/66/29/94/661662994.db2.gz DIWCOQPXGBWHJC-UHFFFAOYSA-N 1 0 397.806 2.536 20 0 GFADRO Cc1ccc(CNC(=[NH2+])NCCNC(=O)c2cccc(Br)c2)cc1 ZINC000849073989 661690823 /nfs/dbraw/zinc/69/08/23/661690823.db2.gz VSGMQOHHEQYMQC-UHFFFAOYSA-N 1 0 389.297 2.801 20 0 GFADRO CC(C)(C)OC(=O)NCCNC(=[NH2+])NCc1ccc(Br)c(F)c1 ZINC000849110836 661692308 /nfs/dbraw/zinc/69/23/08/661692308.db2.gz BWEUJNCXZVQTLY-UHFFFAOYSA-N 1 0 389.269 2.727 20 0 GFADRO CC(C)(C)OC(=O)NCCNC(=[NH2+])N[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000849112507 661692686 /nfs/dbraw/zinc/69/26/86/661692686.db2.gz SLEJXMWMLMKBAJ-UONOGXRCSA-N 1 0 397.317 2.944 20 0 GFADRO Cc1ccc(C[C@H](CO)CNC(=[NH2+])Nc2ccccn2)cc1Br ZINC000849115049 661692791 /nfs/dbraw/zinc/69/27/91/661692791.db2.gz CPZHSOUOVJNXBZ-AWEZNQCLSA-N 1 0 377.286 2.940 20 0 GFADRO CS(=O)(=O)CC1(CNC(=[NH2+])NCc2cccc(C(F)(F)F)c2)CCC1 ZINC000849117838 661693684 /nfs/dbraw/zinc/69/36/84/661693684.db2.gz XVMKHXYDTWQRII-UHFFFAOYSA-N 1 0 377.432 2.534 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@H](N2C(=O)N[C@@H](c3ccccc3Br)C2=O)C1 ZINC000849356013 661709386 /nfs/dbraw/zinc/70/93/86/661709386.db2.gz PXSWXRPOLBCJER-XUJVJEKNSA-N 1 0 380.286 2.915 20 0 GFADRO O=S(=O)(N[C@H]1CC[N@@H+](C2CCCCC2)C1)c1c(Cl)nc2sccn21 ZINC000849461494 661730219 /nfs/dbraw/zinc/73/02/19/661730219.db2.gz SCLVRKLEKOAZNO-NSHDSACASA-N 1 0 388.946 2.735 20 0 GFADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@H]2C(=O)Nc2cccc(Br)c2)cn1 ZINC000849483604 661733291 /nfs/dbraw/zinc/73/32/91/661733291.db2.gz ZERRCNOGKGNOEZ-CVEARBPZSA-N 1 0 377.286 2.857 20 0 GFADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@H]2C(=O)Nc2ccccc2Br)cn1 ZINC000849480681 661733485 /nfs/dbraw/zinc/73/34/85/661733485.db2.gz GGVSFQYRJQBVDM-KGLIPLIRSA-N 1 0 377.286 2.857 20 0 GFADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)Nc2cc(Br)ccc2F)cn1 ZINC000849509541 661734242 /nfs/dbraw/zinc/73/42/42/661734242.db2.gz ZEAXZJLVNNSSMW-KBPBESRZSA-N 1 0 395.276 2.996 20 0 GFADRO Cc1cc(Br)ncc1NC(=O)[C@H]1CC[N@@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000849552917 661734290 /nfs/dbraw/zinc/73/42/90/661734290.db2.gz LTALMOUGLMJRIJ-UONOGXRCSA-N 1 0 392.301 2.560 20 0 GFADRO Cc1cc(C[NH2+]CCS(=O)(=O)CC(F)(F)F)cc(C)c1OC(F)F ZINC000850363654 661771850 /nfs/dbraw/zinc/77/18/50/661771850.db2.gz FLYHMILXYMOBOM-UHFFFAOYSA-N 1 0 375.359 2.972 20 0 GFADRO C[C@H]1C[C@H]([NH2+]CCS(=O)(=O)CC(F)(F)F)CCN1Cc1ccccc1 ZINC000850365933 661772774 /nfs/dbraw/zinc/77/27/74/661772774.db2.gz UHJOVZPXZNEQPH-GOEBONIOSA-N 1 0 378.460 2.606 20 0 GFADRO C[C@H]([NH2+]CCC1(CS(C)(=O)=O)CC1)c1cc(Br)ncc1F ZINC000850485968 661778352 /nfs/dbraw/zinc/77/83/52/661778352.db2.gz PCHKPKHTMPTLMW-JTQLQIEISA-N 1 0 379.295 2.849 20 0 GFADRO C[C@H]([NH2+]CC[S@@](=O)CC(F)(F)F)c1ccc(-n2cncn2)cc1Cl ZINC000850491063 661778916 /nfs/dbraw/zinc/77/89/16/661778916.db2.gz KRMQOOOKQNIMLC-CCGUKBGLSA-N 1 0 380.823 2.882 20 0 GFADRO C[C@H]([NH2+]CCNC(=O)c1ccc(Br)cn1)c1cccnc1Cl ZINC000850495191 661779200 /nfs/dbraw/zinc/77/92/00/661779200.db2.gz XYWZPLZIIBXAAL-JTQLQIEISA-N 1 0 383.677 2.973 20 0 GFADRO COc1cc([C@H](C)[NH2+]C[C@@]2(OCCO)CCOC2)ccc1SC(F)F ZINC000850509524 661779893 /nfs/dbraw/zinc/77/98/93/661779893.db2.gz REZUDVKMNNCUDY-SJCJKPOMSA-N 1 0 377.453 2.829 20 0 GFADRO C[C@@H]([NH2+]CCCC1CCC1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000850537684 661781109 /nfs/dbraw/zinc/78/11/09/661781109.db2.gz XEZJAEYYBCAMLK-CQSZACIVSA-N 1 0 388.555 2.643 20 0 GFADRO O=S1(=O)CC[C@H]([NH2+][C@H]2COC3(CCC3)C2)c2cc(Br)ccc21 ZINC000850524071 661781134 /nfs/dbraw/zinc/78/11/34/661781134.db2.gz UBVUOKYGSRKOKP-OCCSQVGLSA-N 1 0 386.311 2.969 20 0 GFADRO COc1cc([C@H](C)[NH2+][C@@H]2C[C@@H](O)C23CCC3)ccc1S(=O)(=O)C(F)F ZINC000850548059 661781248 /nfs/dbraw/zinc/78/12/48/661781248.db2.gz XYAHVQJGSXQIDS-COLVAYQJSA-N 1 0 375.437 2.646 20 0 GFADRO CC(C)CC1([NH2+][C@@H](C)c2cccc(N(S(C)(=O)=O)S(C)(=O)=O)c2)CC1 ZINC000850565616 661781835 /nfs/dbraw/zinc/78/18/35/661781835.db2.gz DQSPTCSENCVKRX-AWEZNQCLSA-N 1 0 388.555 2.642 20 0 GFADRO O=S(=O)(c1cnc(Cl)c(Cl)c1)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000850588862 661782321 /nfs/dbraw/zinc/78/23/21/661782321.db2.gz GZJOUSWWGJVKPD-LBPRGKRZSA-N 1 0 378.325 2.789 20 0 GFADRO O=S(=O)(c1cc(Cl)cc(Br)c1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000850587843 661782399 /nfs/dbraw/zinc/78/23/99/661782399.db2.gz LQKUHDKHGJGGFI-AWEZNQCLSA-N 1 0 393.734 2.867 20 0 GFADRO [NH3+]C1(CNC(=O)C(=O)Nc2ccc3cc(Br)ccc3c2)CCCC1 ZINC000850842299 661792803 /nfs/dbraw/zinc/79/28/03/661792803.db2.gz TYQSUNVDSITAAX-UHFFFAOYSA-N 1 0 390.281 2.929 20 0 GFADRO C[C@@]1(C(=O)NCc2ccc(CC[NH3+])cc2)CC1(Br)Br ZINC000851631553 661826995 /nfs/dbraw/zinc/82/69/95/661826995.db2.gz VAGWGIGRSXLVEF-ZDUSSCGKSA-N 1 0 390.119 2.700 20 0 GFADRO NC(=O)[C@@](O)(C[N@@H+]1CCC[C@H]1c1ccc(Br)cc1)c1ccccc1 ZINC000851732206 661829472 /nfs/dbraw/zinc/82/94/72/661829472.db2.gz LVJCITYLJKTGBE-PKOBYXMFSA-N 1 0 389.293 2.959 20 0 GFADRO CCOP(=O)(OCC)[C@@H](O)C[N@@H+]1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000851734464 661829510 /nfs/dbraw/zinc/82/95/10/661829510.db2.gz SJGLKZCMFWEKEY-UONOGXRCSA-N 1 0 380.422 2.560 20 0 GFADRO CCOP(=O)(OCC)[C@H](O)C[N@@H+]1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000851804491 661833276 /nfs/dbraw/zinc/83/32/76/661833276.db2.gz RCPGFKIVMIHWGD-KGLIPLIRSA-N 1 0 380.422 2.512 20 0 GFADRO O=C(Nc1ccccc1Br)C1CC[NH+](C[C@H]2CCC(=O)O2)CC1 ZINC000851835817 661837231 /nfs/dbraw/zinc/83/72/31/661837231.db2.gz HKVUENNHHZOBER-CYBMUJFWSA-N 1 0 381.270 2.805 20 0 GFADRO NC(=O)[C@](O)(C[NH2+]C1(c2cccc(Br)c2)CCC1)c1ccccc1 ZINC000851837411 661837531 /nfs/dbraw/zinc/83/75/31/661837531.db2.gz VOUIVYRWJMDOQH-IBGZPJMESA-N 1 0 389.293 2.791 20 0 GFADRO C[NH+]1CCC(Oc2ccc(CNC(=O)NCC3SCCS3)cc2)CC1 ZINC000852315809 661860307 /nfs/dbraw/zinc/86/03/07/661860307.db2.gz BGJVHEXMYUPIEV-UHFFFAOYSA-N 1 0 381.567 2.765 20 0 GFADRO O[C@@H](C[N@H+](CCN1CCOCC1)CC1CC1)c1ccccc1Br ZINC000852633689 661869205 /nfs/dbraw/zinc/86/92/05/661869205.db2.gz CQULYINPBXOTHO-SFHVURJKSA-N 1 0 383.330 2.527 20 0 GFADRO CN(C[C@@H](O)C[NH2+][C@H](CO)c1cccc(Cl)c1Cl)C(=O)OC(C)(C)C ZINC000852678316 661870977 /nfs/dbraw/zinc/87/09/77/661870977.db2.gz AQGJCEBNUGXRRV-SMDDNHRTSA-N 1 0 393.311 2.844 20 0 GFADRO CC(C)NC(=O)[C@H]1CCC[N@H+](C[C@@H](O)c2ccc(F)c(Br)c2)C1 ZINC000852697131 661871550 /nfs/dbraw/zinc/87/15/50/661871550.db2.gz NQGYAFWKBZSCAD-XJKSGUPXSA-N 1 0 387.293 2.858 20 0 GFADRO CNC(=O)Cc1nc(C[NH2+][C@@H](C(C)C)[C@H](O)c2ccc(Cl)cc2)cs1 ZINC000852731277 661872461 /nfs/dbraw/zinc/87/24/61/661872461.db2.gz ITAUDLLTDJNMOE-ZWKOTPCHSA-N 1 0 381.929 2.933 20 0 GFADRO COC(=O)NC1CC[NH+](CCC(=O)Nc2cccc(Br)c2)CC1 ZINC000852766505 661873932 /nfs/dbraw/zinc/87/39/32/661873932.db2.gz CXBILXMOALYQOM-UHFFFAOYSA-N 1 0 384.274 2.598 20 0 GFADRO N[C@H](C(=O)NC[C@@H]1COc2ccccc2C1)c1ccccc1Br ZINC000852777282 661874190 /nfs/dbraw/zinc/87/41/90/661874190.db2.gz UDNWUOUNQIJVID-PXAZEXFGSA-N 1 0 375.266 2.816 20 0 GFADRO O=C(Nc1nnc(SCc2ccccc2)s1)[C@H]1[NH2+]CC12CCOCC2 ZINC000852783944 661874357 /nfs/dbraw/zinc/87/43/57/661874357.db2.gz ZEOMESPLXODOJO-CYBMUJFWSA-N 1 0 376.507 2.538 20 0 GFADRO C[C@@]1(C(=O)N2CCC([NH2+]CC3CC3)CC2)CC1(Br)Br ZINC000852800118 661874723 /nfs/dbraw/zinc/87/47/23/661874723.db2.gz WVSBKGRTJDJQNM-ZDUSSCGKSA-N 1 0 394.151 2.873 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2c(Cl)nc3cc(Cl)ccn32)CC1 ZINC000852833092 661875550 /nfs/dbraw/zinc/87/55/50/661875550.db2.gz UNTAGIQLWOYVKX-DOMZBBRYSA-N 1 0 383.279 2.610 20 0 GFADRO C[C@@H](NC(=O)C=C1CC[NH2+]CC1)c1nc(-c2ccc(Br)cc2)no1 ZINC000852854095 661875924 /nfs/dbraw/zinc/87/59/24/661875924.db2.gz ZEUMDRWHIIEQHH-LLVKDONJSA-N 1 0 391.269 2.986 20 0 GFADRO O=C(C=C1CC[NH2+]CC1)NC[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000852862720 661875939 /nfs/dbraw/zinc/87/59/39/661875939.db2.gz KOGREUXKPUEILO-HNNXBMFYSA-N 1 0 378.314 2.701 20 0 GFADRO CC1(C)CN(C(=O)c2n[nH]c3c2C[NH2+]CC3)c2cc(Br)ccc21 ZINC000852862310 661875941 /nfs/dbraw/zinc/87/59/41/661875941.db2.gz ZKPCNLLBVBRVHU-UHFFFAOYSA-N 1 0 375.270 2.756 20 0 GFADRO O=C(c1cnn(-c2ccccc2)c1Br)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000852879573 661876377 /nfs/dbraw/zinc/87/63/77/661876377.db2.gz XHKIVEHEZSDAMO-SFHVURJKSA-N 1 0 389.297 2.851 20 0 GFADRO [NH3+]C[C@H]1CC(C(=O)N2CCc3sccc3[C@@H]2c2ccc(Cl)cc2)=NO1 ZINC000852910764 661877069 /nfs/dbraw/zinc/87/70/69/661877069.db2.gz IQYCHUTVEZZKBI-DYVFJYSZSA-N 1 0 375.881 2.979 20 0 GFADRO [NH3+]C[C@H]1CC(C(=O)N2CCc3sccc3[C@H]2c2ccc(Cl)cc2)=NO1 ZINC000852910763 661877086 /nfs/dbraw/zinc/87/70/86/661877086.db2.gz IQYCHUTVEZZKBI-CXAGYDPISA-N 1 0 375.881 2.979 20 0 GFADRO Cc1c(Br)cccc1C[C@@H](CO)C[NH2+]C[C@H](O)c1ccccn1 ZINC000853108881 661882511 /nfs/dbraw/zinc/88/25/11/661882511.db2.gz DGYSKJFDALARSW-KDOFPFPSSA-N 1 0 379.298 2.627 20 0 GFADRO COc1ccccc1[C@H](O)C[NH2+]C[C@@H](O)COc1ccc(Br)cc1 ZINC000853134003 661883166 /nfs/dbraw/zinc/88/31/66/661883166.db2.gz OJTKYMHMVIHEIP-RHSMWYFYSA-N 1 0 396.281 2.521 20 0 GFADRO CN(CC(=O)O[C@@H](C[NH+](C)C)c1cc(F)c(F)c(F)c1)[C@H]1CCSC1 ZINC000853214189 661885167 /nfs/dbraw/zinc/88/51/67/661885167.db2.gz XTTPJOGAZIKVDO-WFASDCNBSA-N 1 0 376.444 2.687 20 0 GFADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)c2c(Cl)nc3cc(Cl)ccn32)C1 ZINC000854308371 661923624 /nfs/dbraw/zinc/92/36/24/661923624.db2.gz ZASVWYJGGRCVLB-CYBMUJFWSA-N 1 0 385.295 2.728 20 0 GFADRO C[NH+](C)CCn1nccc1NC(=O)c1ccc(C(F)(F)Br)nc1 ZINC000854664737 661946989 /nfs/dbraw/zinc/94/69/89/661946989.db2.gz CKWIKPVPXNJCMQ-UHFFFAOYSA-N 1 0 388.216 2.536 20 0 GFADRO O=C(c1cc(Br)n[nH]1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000854983826 661964660 /nfs/dbraw/zinc/96/46/60/661964660.db2.gz UZKSAMFMAIGHOB-DZGCQCFKSA-N 1 0 375.270 2.519 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)c2sccc2S(=O)(=O)C(F)F)C1 ZINC000855160318 661974114 /nfs/dbraw/zinc/97/41/14/661974114.db2.gz SJIZUKCSYKLTOB-JTQLQIEISA-N 1 0 380.482 2.595 20 0 GFADRO C[N@H+](Cc1ccc2nc(NC(=O)CN3CCSC3=O)sc2c1)C1CC1 ZINC000855471009 661993247 /nfs/dbraw/zinc/99/32/47/661993247.db2.gz MIQWAVDGTBMASE-UHFFFAOYSA-N 1 0 376.507 2.998 20 0 GFADRO C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)c2cc(Br)n[nH]2)C1 ZINC000855732766 662005568 /nfs/dbraw/zinc/00/55/68/662005568.db2.gz NQGWQECYFXKHMA-CQSZACIVSA-N 1 0 377.286 2.561 20 0 GFADRO CC(C)[N@@H+]1CC[C@H](C(=O)NCCC2SCCS2)[C@H](c2cnn(C)c2)C1 ZINC000856217619 662025532 /nfs/dbraw/zinc/02/55/32/662025532.db2.gz LBEWFNYFZHAMGH-HOTGVXAUSA-N 1 0 382.599 2.546 20 0 GFADRO C[NH+](C)C[C@@H]1COC2(CCCC2)CN1C(=O)c1cccc(Br)n1 ZINC000856410733 662032502 /nfs/dbraw/zinc/03/25/02/662032502.db2.gz OAAIEXVNLBDQCY-CYBMUJFWSA-N 1 0 382.302 2.560 20 0 GFADRO O=C(NC[C@@H]1CCC[N@H+](CC2CC2)C1)[C@H]1Cc2cc(Br)ccc2O1 ZINC000856480324 662035488 /nfs/dbraw/zinc/03/54/88/662035488.db2.gz RUCGALDFGKTYGA-KBXCAEBGSA-N 1 0 393.325 2.991 20 0 GFADRO C[C@H](C[NH+]1CCN(c2ccccc2)CC1)Nc1cnc(Br)cn1 ZINC000856731887 662039567 /nfs/dbraw/zinc/03/95/67/662039567.db2.gz VXWFPNSEMQZHIN-CQSZACIVSA-N 1 0 376.302 2.862 20 0 GFADRO C[NH+](C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)OCc1scnc1Cl ZINC000857058569 662061843 /nfs/dbraw/zinc/06/18/43/662061843.db2.gz QKOBQXUDVAVNKF-JTQLQIEISA-N 1 0 377.894 2.685 20 0 GFADRO CN(OCC(F)(F)F)C(=O)C[NH2+]C[C@H](O)c1ccc(Cl)cc1Cl ZINC000857242069 662069376 /nfs/dbraw/zinc/06/93/76/662069376.db2.gz OKQDKMNQLJLLSM-NSHDSACASA-N 1 0 375.174 2.569 20 0 GFADRO CCN(CC)S(=O)(=O)c1ccc(CC[NH2+][C@@H]2CCCc3cn[nH]c32)s1 ZINC000857853463 662092573 /nfs/dbraw/zinc/09/25/73/662092573.db2.gz QLCBLVOTTJVBOK-OAHLLOKOSA-N 1 0 382.555 2.711 20 0 GFADRO COc1ccc(Br)cc1C[C@H](CO)C[NH2+][C@H]1CCCc2cn[nH]c21 ZINC000857869363 662092695 /nfs/dbraw/zinc/09/26/95/662092695.db2.gz NPBPATRZEQONSX-LRDDRELGSA-N 1 0 394.313 2.999 20 0 GFADRO Cn1ccc(C(=O)N2C[C@H]([NH+](C)C)CCc3cc(Br)ccc32)n1 ZINC000857883265 662093642 /nfs/dbraw/zinc/09/36/42/662093642.db2.gz OLLOTVDUNOVDJJ-CQSZACIVSA-N 1 0 377.286 2.706 20 0 GFADRO COc1ccccc1N1CCC([NH2+]Cc2cn(C)nc2Br)CC1 ZINC000858116966 662099379 /nfs/dbraw/zinc/09/93/79/662099379.db2.gz UYZPLQGAPXUPLY-UHFFFAOYSA-N 1 0 379.302 2.950 20 0 GFADRO COCO[C@H](C)c1cc(F)c(C[NH2+]C[C@@](C)(CO)OC)cc1Br ZINC000858186122 662103837 /nfs/dbraw/zinc/10/38/37/662103837.db2.gz QZCLUDICQXPWKN-BZNIZROVSA-N 1 0 394.281 2.757 20 0 GFADRO COc1cc([C@H](C)[NH2+][C@H]2CO[C@H](C3CC3)C2)ccc1S(=O)(=O)C(F)F ZINC000858545920 662114713 /nfs/dbraw/zinc/11/47/13/662114713.db2.gz KOPNBLMPYRPTSN-GDLCADMTSA-N 1 0 375.437 2.910 20 0 GFADRO COC(=O)Nc1ccc(S(=O)(=O)N(C)CC[C@H]([NH3+])C(C)C)cc1Cl ZINC000858608022 662116067 /nfs/dbraw/zinc/11/60/67/662116067.db2.gz LAJSQTQLKOZJDI-ZDUSSCGKSA-N 1 0 377.894 2.512 20 0 GFADRO COC(=O)Nc1ccc(S(=O)(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)cc1Cl ZINC000858612435 662116405 /nfs/dbraw/zinc/11/64/05/662116405.db2.gz AQNKEROBSGXBJG-HAQNSBGRSA-N 1 0 389.905 2.562 20 0 GFADRO COc1c(Br)cc(Cl)cc1S(=O)(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000858631403 662117367 /nfs/dbraw/zinc/11/73/67/662117367.db2.gz DJNJIAKPJGAFRQ-SCZZXKLOSA-N 1 0 397.722 2.530 20 0 GFADRO O=S(=O)(/C=C/c1cccc(Cl)c1)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000858643545 662117819 /nfs/dbraw/zinc/11/78/19/662117819.db2.gz DZPRCWTUJKJXHG-DBEXCURXSA-N 1 0 384.929 2.731 20 0 GFADRO C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@@H]1CCOC(=O)N1 ZINC000858760300 662122094 /nfs/dbraw/zinc/12/20/94/662122094.db2.gz ORNHBNCMLXYYAO-HNNXBMFYSA-N 1 0 388.295 2.772 20 0 GFADRO C[N@@H+]1CCCC[C@H](CNC(=O)NC[C@@H](O)c2cccc(Br)c2)C1 ZINC000858765471 662122336 /nfs/dbraw/zinc/12/23/36/662122336.db2.gz BWGDZOSYMYQAPO-CZUORRHYSA-N 1 0 384.318 2.514 20 0 GFADRO O=C1Nc2ccc(Br)cc2CC[C@H]1[NH+]1CCC(C2OCCO2)CC1 ZINC000859115127 662138529 /nfs/dbraw/zinc/13/85/29/662138529.db2.gz SIEQXSKJXSFIID-MRXNPFEDSA-N 1 0 395.297 2.787 20 0 GFADRO COC(=O)[C@@H]1CC[N@@H+]([C@H]2CCc3cc(Br)ccc3NC2=O)[C@H]1C ZINC000859272892 662149211 /nfs/dbraw/zinc/14/92/11/662149211.db2.gz XPXSVAOCBKUZFW-ZBINZKHDSA-N 1 0 381.270 2.586 20 0 GFADRO OC[C@H]1CCC2(CCOCC2)C[N@@H+]1C[C@H](O)c1ccccc1Br ZINC000859524143 662166434 /nfs/dbraw/zinc/16/64/34/662166434.db2.gz WMHJDNRFSWHRME-PBHICJAKSA-N 1 0 384.314 2.736 20 0 GFADRO CCOP(=O)(OCC)[C@H](O)C[N@@H+]1CC[C@H](C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000859610323 662169438 /nfs/dbraw/zinc/16/94/38/662169438.db2.gz HEYYQOWTQUDCEZ-ILXRZTDVSA-N 1 0 379.434 2.871 20 0 GFADRO [NH3+]C1(CNC(=O)Nc2ccc(N3CCSCC3)c(Cl)c2)CCOCC1 ZINC000859641744 662170990 /nfs/dbraw/zinc/17/09/90/662170990.db2.gz BCCVLWGKWUZBCJ-UHFFFAOYSA-N 1 0 384.933 2.523 20 0 GFADRO Cn1nc(Cl)c(C(=O)Nc2ccc(C[NH+]3CCC(O)CC3)cc2)c1Cl ZINC000860481853 662202217 /nfs/dbraw/zinc/20/22/17/662202217.db2.gz UHMVGHSWKCXVPO-UHFFFAOYSA-N 1 0 383.279 2.936 20 0 GFADRO CC(C)[N@@H+]1CCO[C@H](COC(=O)[C@H]2[C@@H]3c4cccc(Br)c4C[C@H]23)C1 ZINC000860650855 662209139 /nfs/dbraw/zinc/20/91/39/662209139.db2.gz BGCSZYIAVCEKJG-PWUKJLEFSA-N 1 0 394.309 2.987 20 0 GFADRO CC(C)(O)C[N@@H+]1CCc2c(cccc2NC(=O)[C@H]2C[C@@]2(C)Br)C1 ZINC000860760464 662213627 /nfs/dbraw/zinc/21/36/27/662213627.db2.gz LOGPDOJLNWPGGD-RDTXWAMCSA-N 1 0 381.314 2.928 20 0 GFADRO CC1([NH+]2CCOCC2)CCN(C(=O)Nc2ccnc(Br)c2)CC1 ZINC000861144421 662229134 /nfs/dbraw/zinc/22/91/34/662229134.db2.gz GBYYYUBDUNPSQU-UHFFFAOYSA-N 1 0 383.290 2.563 20 0 GFADRO CO[C@H]1C[N@H+](C)[C@](C)(COC(=O)Cn2nc(C(F)(F)F)c(Cl)c2C)C1 ZINC000861351701 662241654 /nfs/dbraw/zinc/24/16/54/662241654.db2.gz DXZCTDYXCXTVSA-YGRLFVJLSA-N 1 0 383.798 2.516 20 0 GFADRO CO[C@H]1C[N@H+](C)[C@@](C)(COC(=O)c2c3ccc(Br)cc3nn2C)C1 ZINC000861357727 662242326 /nfs/dbraw/zinc/24/23/26/662242326.db2.gz TUDOQHSJUBNMJR-SJKOYZFVSA-N 1 0 396.285 2.602 20 0 GFADRO CN(CC(=O)OCC12CCC[NH+](CCC1)C2)C(=O)c1ccc(Br)o1 ZINC000861357965 662242593 /nfs/dbraw/zinc/24/25/93/662242593.db2.gz WGRFBFNKKQZTQY-UHFFFAOYSA-N 1 0 399.285 2.533 20 0 GFADRO Cn1nc(Cl)c(C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)c1Cl ZINC000861441036 662247245 /nfs/dbraw/zinc/24/72/45/662247245.db2.gz NUYNXPOSPUQACF-OKILXGFUSA-N 1 0 379.291 2.931 20 0 GFADRO CN(CCC[N@H+](C)Cc1ccncc1)C(=O)c1cc(Br)cnc1F ZINC000861740188 662256988 /nfs/dbraw/zinc/25/69/88/662256988.db2.gz NREQCVSZANFPMI-UHFFFAOYSA-N 1 0 395.276 2.972 20 0 GFADRO CCC[N@H+](CC)C[C@@H](C)NC(=O)c1cc(Br)c2ncc(C=O)n2c1 ZINC000861780867 662258591 /nfs/dbraw/zinc/25/85/91/662258591.db2.gz ODSSXZIKIDXLED-GFCCVEGCSA-N 1 0 395.301 2.760 20 0 GFADRO O=Cc1cc(Br)cc(C(=O)N2CCC([N@@H+]3CCCOCC3)CC2)c1 ZINC000861985758 662265689 /nfs/dbraw/zinc/26/56/89/662265689.db2.gz BKVYJLOAZDIYER-UHFFFAOYSA-N 1 0 395.297 2.589 20 0 GFADRO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)c1ccc(SC(F)(F)F)nc1 ZINC000862166982 662271705 /nfs/dbraw/zinc/27/17/05/662271705.db2.gz OVXFTIPEDZNDQS-LBPRGKRZSA-N 1 0 378.464 2.695 20 0 GFADRO O[C@@H]1CC[N@@H+](C2CN(Cc3c(F)ccc(C(F)(F)F)c3Br)C2)C1 ZINC000862400241 662285072 /nfs/dbraw/zinc/28/50/72/662285072.db2.gz QXYPVXMJMLGPKL-SNVBAGLBSA-N 1 0 397.210 2.858 20 0 GFADRO C[C@@H]([NH3+])CN(C)[C@@H](C)C(=O)Nc1ccc(Br)cc1Br ZINC000863566781 662336858 /nfs/dbraw/zinc/33/68/58/662336858.db2.gz PTVAYDGXULBVTD-BDAKNGLRSA-N 1 0 393.123 2.818 20 0 GFADRO O=C(C1CC[NH+](C2CC2)CC1)N1CC[C@@H](O)[C@H]1c1ccc(Br)cc1 ZINC000863580001 662338451 /nfs/dbraw/zinc/33/84/51/662338451.db2.gz VIFLQEPPHOXSDX-QZTJIDSGSA-N 1 0 393.325 2.958 20 0 GFADRO Cc1nn(C)c2nc(Cl)c(CN3CC[C@H](C(F)(F)F)[C@H](C[NH3+])C3)cc12 ZINC000863646553 662342634 /nfs/dbraw/zinc/34/26/34/662342634.db2.gz MDMKNARRNPBMHV-YPMHNXCESA-N 1 0 375.826 2.889 20 0 GFADRO F[C@H](c1nc(Cc2cc(Br)c3c(c2)OCCO3)no1)[C@H]1CC[NH2+]C1 ZINC000863668495 662342797 /nfs/dbraw/zinc/34/27/97/662342797.db2.gz VGIGKOLNARQMFZ-HZMBPMFUSA-N 1 0 398.232 2.814 20 0 GFADRO COc1ccc(Cc2noc(C3=CC[C@@H]([NH3+])C3)n2)c(Br)c1OC ZINC000863668821 662343197 /nfs/dbraw/zinc/34/31/97/662343197.db2.gz WJEVBPUYXMCZFZ-LLVKDONJSA-N 1 0 380.242 2.945 20 0 GFADRO C[N@@H+]1CCN(C(=O)[C@]2(C)CC2(Br)Br)CCC1(C)C ZINC000864063878 662353207 /nfs/dbraw/zinc/35/32/07/662353207.db2.gz VYMAYBLXOWELPR-LBPRGKRZSA-N 1 0 382.140 2.825 20 0 GFADRO CC(=O)N[C@@H](C(=O)NCCC[NH+]1CCCCC1)c1cccc(Br)c1 ZINC000864588026 662380678 /nfs/dbraw/zinc/38/06/78/662380678.db2.gz XYTQXDIGRKFINQ-QGZVFWFLSA-N 1 0 396.329 2.619 20 0 GFADRO C/C(=C/c1ccc(Br)o1)C(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000864863986 662388962 /nfs/dbraw/zinc/38/89/62/662388962.db2.gz UNRVGDYALPTREV-YPKPFQOOSA-N 1 0 384.318 2.589 20 0 GFADRO Brc1ncccc1C[NH2+]C[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000865404007 662419134 /nfs/dbraw/zinc/41/91/34/662419134.db2.gz ZEENBKRHETWXNN-QGZVFWFLSA-N 1 0 376.298 2.835 20 0 GFADRO C[C@@H](CN1CCN(c2ccccn2)CC1)[NH2+]Cc1cccnc1Br ZINC000865468914 662423366 /nfs/dbraw/zinc/42/33/66/662423366.db2.gz GGUDYCZLIMUKEZ-HNNXBMFYSA-N 1 0 390.329 2.539 20 0 GFADRO NC(=O)[C@H]1CCC[N@@H+]1Cc1cccc(NCc2cccnc2Br)c1 ZINC000865499390 662425280 /nfs/dbraw/zinc/42/52/80/662425280.db2.gz SEEPBZAKOACVJV-MRXNPFEDSA-N 1 0 389.297 2.906 20 0 GFADRO C[C@H](C[C@H](O)c1ccc(F)cc1)[NH2+]Cc1ccc(Cl)c(S(N)(=O)=O)c1 ZINC000865513992 662425969 /nfs/dbraw/zinc/42/59/69/662425969.db2.gz BDILJGXPTFNALC-BZNIZROVSA-N 1 0 386.876 2.728 20 0 GFADRO COC(C)(C)c1nsc(Sc2nnc([C@H]3CCC[NH2+]C3)n2C2CC2)n1 ZINC000865545012 662428200 /nfs/dbraw/zinc/42/82/00/662428200.db2.gz PNGPQIDIKYLEMU-JTQLQIEISA-N 1 0 380.543 2.964 20 0 GFADRO C[C@H](CCNS(=O)(=O)c1ccccc1)[NH2+]Cc1cccnc1Br ZINC000865559393 662429266 /nfs/dbraw/zinc/42/92/66/662429266.db2.gz ZRYDZOSPVNHOKV-CYBMUJFWSA-N 1 0 398.326 2.691 20 0 GFADRO COCCc1ccc(OC[C@@H](O)C[NH2+]Cc2cccnc2Br)cc1 ZINC000865621254 662432283 /nfs/dbraw/zinc/43/22/83/662432283.db2.gz YVVOODXVZMCQPM-INIZCTEOSA-N 1 0 395.297 2.563 20 0 GFADRO CC(C)(C)OC(=O)N1CCOC[C@H]1C[NH2+]Cc1cccnc1Br ZINC000865643604 662433677 /nfs/dbraw/zinc/43/36/77/662433677.db2.gz OZFMCFYNHIDSNK-CYBMUJFWSA-N 1 0 386.290 2.570 20 0 GFADRO Brc1cc2c(cc1C[NH2+]C[C@H]1CC3(CO1)CCOCC3)OCO2 ZINC000865781798 662443099 /nfs/dbraw/zinc/44/30/99/662443099.db2.gz SFVFPHHVYARXOA-CYBMUJFWSA-N 1 0 384.270 2.853 20 0 GFADRO COC(=O)c1cc(Cl)cc(Cl)c1N1CCC([NH+]2CCN(C)CC2)CC1 ZINC000866212544 662464720 /nfs/dbraw/zinc/46/47/20/662464720.db2.gz HQAUGVIMCZTPIC-UHFFFAOYSA-N 1 0 386.323 2.996 20 0 GFADRO O=C1OC[C@]2(C[NH2+][C@H](c3ccc(Br)cc3F)C3CC3)COCCN12 ZINC000866519380 662478498 /nfs/dbraw/zinc/47/84/98/662478498.db2.gz AGPLEFYQQBRBGB-RDJZCZTQSA-N 1 0 399.260 2.850 20 0 GFADRO O=C1OC[C@@]2(C[NH2+][C@@H](c3ccc(Br)s3)C3CC3)COCCN12 ZINC000866522463 662478691 /nfs/dbraw/zinc/47/86/91/662478691.db2.gz WGBSTEBXHXBWOR-UKRRQHHQSA-N 1 0 387.299 2.773 20 0 GFADRO Cc1ccc(Br)c(CS(=O)(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)c1 ZINC000866739815 662493318 /nfs/dbraw/zinc/49/33/18/662493318.db2.gz JPHZSJHADZROOW-STQMWFEESA-N 1 0 375.332 2.647 20 0 GFADRO Cc1ccc(Br)c(CS(=O)(=O)NCCC[C@H]2CCC[NH2+]2)c1 ZINC000866769334 662496298 /nfs/dbraw/zinc/49/62/98/662496298.db2.gz KVGKMJOEVQBEPH-CQSZACIVSA-N 1 0 375.332 2.709 20 0 GFADRO O=S(=O)(c1ccc2onc(Cl)c2c1)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000866775952 662497126 /nfs/dbraw/zinc/49/71/26/662497126.db2.gz QSUWFYHYVNCLQR-ZDUSSCGKSA-N 1 0 383.901 2.882 20 0 GFADRO [NH3+]C[C@H]1CN(S(=O)(=O)c2ccc3onc(Cl)c3c2)CC[C@H]1C(F)(F)F ZINC000866779704 662497652 /nfs/dbraw/zinc/49/76/52/662497652.db2.gz SCGZBNVDQJDVGS-GZMMTYOYSA-N 1 0 397.806 2.629 20 0 GFADRO CC(C)(C)[C@@]1(C[NH3+])CCN(S(=O)(=O)c2ccc(F)cc2Br)C1 ZINC000866815814 662501559 /nfs/dbraw/zinc/50/15/59/662501559.db2.gz HLFHIQXWMTVHMI-OAHLLOKOSA-N 1 0 393.322 2.974 20 0 GFADRO C[NH+](C)CCCS(=O)(=O)N(Cc1ccccc1)C[C@H](O)c1ccsc1 ZINC000866950826 662511053 /nfs/dbraw/zinc/51/10/53/662511053.db2.gz PAZWLTIUHXYWCR-SFHVURJKSA-N 1 0 382.551 2.565 20 0 GFADRO CS[C@@H]1CN(S(=O)(=O)c2cc(Cl)cnc2Cl)C[C@@H]1[NH+]1CCCC1 ZINC000867125430 662525385 /nfs/dbraw/zinc/52/53/85/662525385.db2.gz VGXXRPGQBYLRLK-NWDGAFQWSA-N 1 0 396.365 2.589 20 0 GFADRO CCC1([NH+](C)C)CCN(S(=O)(=O)c2cc(C(=O)OC)ccc2Cl)CC1 ZINC000867628026 662563966 /nfs/dbraw/zinc/56/39/66/662563966.db2.gz OEXUHUHTULRSTH-UHFFFAOYSA-N 1 0 388.917 2.622 20 0 GFADRO Cc1ccc(C[N@@H+]2CC[C@H](NS(=O)(=O)Cc3ccc(Cl)nc3)C2)cc1 ZINC000867688474 662567457 /nfs/dbraw/zinc/56/74/57/662567457.db2.gz FLAMNTPWKJYLTC-KRWDZBQOSA-N 1 0 379.913 2.737 20 0 GFADRO Cc1cc(S(=O)(=O)N2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)sc1Br ZINC000867812450 662579186 /nfs/dbraw/zinc/57/91/86/662579186.db2.gz JVSRQIFSRODLRT-WDEREUQCSA-N 1 0 379.345 2.534 20 0 GFADRO Cc1cc(Br)c(S(=O)(=O)N2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)s1 ZINC000867812973 662579437 /nfs/dbraw/zinc/57/94/37/662579437.db2.gz OTVPPMAPJDJCKU-CMPLNLGQSA-N 1 0 379.345 2.534 20 0 GFADRO Cc1noc([C@H]2CCCN(C(=O)[C@H]([NH3+])c3cccc(Br)c3)C2)n1 ZINC000867927741 662587678 /nfs/dbraw/zinc/58/76/78/662587678.db2.gz MYFMCBVOOBGQJN-GXTWGEPZSA-N 1 0 379.258 2.547 20 0 GFADRO CC[C@@H]1C[N@H+](C)CCCN1C(=O)[C@@H](NC(C)=O)c1cccc(Br)c1 ZINC000867962653 662589564 /nfs/dbraw/zinc/58/95/64/662589564.db2.gz RNHLVUPRLLSFAB-SJORKVTESA-N 1 0 396.329 2.569 20 0 GFADRO CC(C)n1ncc(C(=O)Nc2ccc3c(c2)C[NH2+]C3)c1I ZINC000867973039 662590140 /nfs/dbraw/zinc/59/01/40/662590140.db2.gz PLQJDZIMLJPZDF-UHFFFAOYSA-N 1 0 396.232 2.924 20 0 GFADRO [NH3+]C[C@H]1Cc2ccccc2N(C(=O)c2sccc2S(=O)(=O)C(F)F)C1 ZINC000868049272 662592601 /nfs/dbraw/zinc/59/26/01/662592601.db2.gz KZIKJEKDEAYCGH-SNVBAGLBSA-N 1 0 386.445 2.522 20 0 GFADRO Cc1sc2nc(CS[C@@H](C)C(=O)N3CC[C@@](C)([NH3+])C3)[nH]c(=O)c2c1C ZINC000868072791 662593565 /nfs/dbraw/zinc/59/35/65/662593565.db2.gz FWBVRHYCZFXZNB-APPDUMDISA-N 1 0 380.539 2.585 20 0 GFADRO C[C@@]1([NH3+])CCN(C(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)c(Cl)c3)C2)C1 ZINC000868074631 662593660 /nfs/dbraw/zinc/59/36/60/662593660.db2.gz NUKVVHRPFNHLAI-FZKQIMNGSA-N 1 0 384.307 2.795 20 0 GFADRO O=C(Nc1cc2c(cc1Br)OCCO2)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000868094939 662594482 /nfs/dbraw/zinc/59/44/82/662594482.db2.gz RSGPQBBWAGMJKN-WCQYABFASA-N 1 0 382.258 2.579 20 0 GFADRO COc1cc(Br)c(NC(=O)N2CCC[C@H]3[NH2+]CC[C@H]32)cc1OC ZINC000868113292 662594857 /nfs/dbraw/zinc/59/48/57/662594857.db2.gz ZNOHUVZCMNZRHG-DGCLKSJQSA-N 1 0 384.274 2.825 20 0 GFADRO [NH3+]CC12CCC(CC1)N2C(=O)Nc1ccc(F)cc1I ZINC000868129501 662595327 /nfs/dbraw/zinc/59/53/27/662595327.db2.gz DOIQAMUGPPQXCM-UHFFFAOYSA-N 1 0 389.212 2.918 20 0 GFADRO C[N@H+](CCNC(=O)NCc1ncc(Br)s1)Cc1ccccc1 ZINC000868130511 662595420 /nfs/dbraw/zinc/59/54/20/662595420.db2.gz OPGUWAJBUUMYRP-UHFFFAOYSA-N 1 0 383.315 2.837 20 0 GFADRO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)Nc1cnc(Br)c(Br)c1 ZINC000868131274 662595425 /nfs/dbraw/zinc/59/54/25/662595425.db2.gz CCLPPJRHOUTKHX-RNFRBKRXSA-N 1 0 378.068 2.560 20 0 GFADRO O=C(Nc1cnn(-c2ccccc2Br)c1)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000868138173 662595613 /nfs/dbraw/zinc/59/56/13/662595613.db2.gz GXYRFPGCLFZGRM-GDBMZVCRSA-N 1 0 390.285 2.993 20 0 GFADRO COCCC1(NC(=O)N[C@H](c2nc(C)cs2)C(F)(F)F)CC[NH2+]CC1 ZINC000868161259 662597189 /nfs/dbraw/zinc/59/71/89/662597189.db2.gz UNKVFLQFKKSVAX-LLVKDONJSA-N 1 0 380.436 2.513 20 0 GFADRO O=C(NCc1ncc(Br)s1)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000868169950 662597592 /nfs/dbraw/zinc/59/75/92/662597592.db2.gz FPMWEMVNUVQFMB-LBPRGKRZSA-N 1 0 397.298 2.888 20 0 GFADRO O=C(c1ccc2ccc(Br)cc2c1)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000868342441 662602324 /nfs/dbraw/zinc/60/23/24/662602324.db2.gz BGSKPYHHQMTTCY-MSOLQXFVSA-N 1 0 389.293 2.883 20 0 GFADRO O=C(Cc1coc2c1ccc(Cl)c2Cl)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000868343076 662602343 /nfs/dbraw/zinc/60/23/43/662602343.db2.gz GCZPMGCOPYJTLV-CHWSQXEVSA-N 1 0 383.275 2.950 20 0 GFADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)NCc1cc(Cl)cc(Cl)c1F ZINC000868372785 662603576 /nfs/dbraw/zinc/60/35/76/662603576.db2.gz ZYYILQYODWCQAX-LLVKDONJSA-N 1 0 377.291 2.568 20 0 GFADRO C[NH+](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cscc1Br ZINC000868673558 662614329 /nfs/dbraw/zinc/61/43/29/662614329.db2.gz YGQZSHNZQIMTBG-JTQLQIEISA-N 1 0 392.319 2.904 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(C(=O)NCc3ccc(Br)c(F)c3F)CC[C@H]21 ZINC000868810671 662620441 /nfs/dbraw/zinc/62/04/41/662620441.db2.gz SWZQZRFJADHSPF-DGCLKSJQSA-N 1 0 388.256 2.963 20 0 GFADRO O=C(NCCSCCC(F)(F)F)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000869064341 662628519 /nfs/dbraw/zinc/62/85/19/662628519.db2.gz XLHKCZOPLFPXDZ-CQSZACIVSA-N 1 0 383.480 2.615 20 0 GFADRO CCN(C(=O)c1cc(Br)ncc1Br)[C@H]1CC[N@H+](C)C1 ZINC000869239715 662637051 /nfs/dbraw/zinc/63/70/51/662637051.db2.gz PMRUXZRMNDGUIU-VIFPVBQESA-N 1 0 391.107 2.773 20 0 GFADRO CC1([NH+]2CCCC2)CCN(C(=O)c2cc(S(C)(=O)=O)ccc2Cl)CC1 ZINC000870251766 662680726 /nfs/dbraw/zinc/68/07/26/662680726.db2.gz CNIYQIANEOTFIM-UHFFFAOYSA-N 1 0 384.929 2.834 20 0 GFADRO COC(=O)C[C@@H](NC(=O)[C@H]1CC[C@H]([NH3+])CC1)c1ccc(Br)cc1 ZINC000870862539 662703807 /nfs/dbraw/zinc/70/38/07/662703807.db2.gz UJCRJMCHFSEDFE-BPLDGKMQSA-N 1 0 383.286 2.687 20 0 GFADRO C[C@H](NC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2)c1cc2c(cc1Br)OCCO2 ZINC000870870182 662703995 /nfs/dbraw/zinc/70/39/95/662703995.db2.gz GNAJUZKGPRELTM-UCSBCBTLSA-N 1 0 381.270 2.525 20 0 GFADRO [NH3+][C@H]1CC[C@@H](C(=O)N2CCN(C(=O)c3c(Cl)cccc3Cl)CC2)CC1 ZINC000870871311 662704201 /nfs/dbraw/zinc/70/42/01/662704201.db2.gz QNSUITLBLOZXIH-BETUJISGSA-N 1 0 384.307 2.795 20 0 GFADRO C[C@H](NC(=O)[C@H]([NH3+])c1cccc(Br)c1)[C@@H](O)Cc1ccccc1 ZINC000870910248 662707662 /nfs/dbraw/zinc/70/76/62/662707662.db2.gz MNIHIZRNLFQSPH-AFAVFJNCSA-N 1 0 377.282 2.557 20 0 GFADRO [NH3+][C@H]1CCc2nc(NC(=O)c3cc(Br)cn4ccnc34)sc2C1 ZINC000870914007 662707946 /nfs/dbraw/zinc/70/79/46/662707946.db2.gz ILPIEWWOLVBCNA-VIFPVBQESA-N 1 0 392.282 2.622 20 0 GFADRO O=C(c1cc(Br)cn2ccnc12)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000870914763 662708101 /nfs/dbraw/zinc/70/81/01/662708101.db2.gz SUXCSZRFPPKAOK-KGLIPLIRSA-N 1 0 391.313 2.949 20 0 GFADRO [NH3+][C@@H](C(=O)N1CC[C@H](OCc2ccncc2)C1)c1cccc(Br)c1 ZINC000870930336 662708780 /nfs/dbraw/zinc/70/87/80/662708780.db2.gz NEOQYMYSBVLFDW-DLBZAZTESA-N 1 0 390.281 2.662 20 0 GFADRO CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)c2cc(Br)cn3ccnc23)CC1 ZINC000870947625 662710906 /nfs/dbraw/zinc/71/09/06/662710906.db2.gz GDMOPEDNGVMXIT-OAHLLOKOSA-N 1 0 391.313 2.947 20 0 GFADRO O=C(NCc1ccc(Br)cn1)c1csc(C2CC[NH2+]CC2)n1 ZINC000870979628 662712211 /nfs/dbraw/zinc/71/22/11/662712211.db2.gz QQAOCMIKUKYWDI-UHFFFAOYSA-N 1 0 381.299 2.698 20 0 GFADRO C[NH+](C)C1(C)CCC(NC(=O)CNC(=O)c2cccc(Br)c2)CC1 ZINC000871355628 662720341 /nfs/dbraw/zinc/72/03/41/662720341.db2.gz KKNJFVMWMTVHJJ-UHFFFAOYSA-N 1 0 396.329 2.558 20 0 GFADRO O=c1c2cnn(C3CC[NH2+]CC3)c2ncn1Cc1cc(Cl)sc1Cl ZINC000871674774 662730881 /nfs/dbraw/zinc/73/08/81/662730881.db2.gz JPRJFCBXJYDGEV-UHFFFAOYSA-N 1 0 384.292 2.934 20 0 GFADRO O=c1c2cnn(C3CC[NH2+]CC3)c2ncn1Cc1ccc(Cl)c(Cl)c1 ZINC000871678286 662731105 /nfs/dbraw/zinc/73/11/05/662731105.db2.gz KBECDRSJTRVXEX-UHFFFAOYSA-N 1 0 378.263 2.873 20 0 GFADRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2Cl)C[C@H]1C(F)(F)F ZINC000871813985 662735478 /nfs/dbraw/zinc/73/54/78/662735478.db2.gz NFMPSKZCSYOAIY-VXNVDRBHSA-N 1 0 377.215 2.751 20 0 GFADRO COc1cc(F)c(Br)cc1S(=O)(=O)N(C)CCCCCC[NH3+] ZINC000871822371 662736049 /nfs/dbraw/zinc/73/60/49/662736049.db2.gz DUZMWFSXYKFPTC-UHFFFAOYSA-N 1 0 397.310 2.736 20 0 GFADRO CC[NH+](CC)[C@@H](CN1C(=O)N[C@H](Cc2cncs2)C1=O)c1ccsc1 ZINC000871891097 662739714 /nfs/dbraw/zinc/73/97/14/662739714.db2.gz KJUUDABEAYIITO-CABCVRRESA-N 1 0 378.523 2.751 20 0 GFADRO O[C@H](CN[C@H](c1cccc(Br)c1)[C@H]1CCOC1)C[NH+]1CCCC1 ZINC000872027968 662754113 /nfs/dbraw/zinc/75/41/13/662754113.db2.gz OPQPZXYOFXTQEA-CGTJXYLNSA-N 1 0 383.330 2.573 20 0 GFADRO OC[C@H](C[NH2+][C@H](c1cccc(Br)c1)[C@H]1CCOC1)[C@H]1CCOC1 ZINC000872067543 662755040 /nfs/dbraw/zinc/75/50/40/662755040.db2.gz AXTIFDYGNIOTOF-NBOOPKSLSA-N 1 0 384.314 2.761 20 0 GFADRO Cn1nccc1[C@H](CO)[NH2+][C@@H](c1cccc(Br)c1)[C@H]1CCOC1 ZINC000872089107 662755614 /nfs/dbraw/zinc/75/56/14/662755614.db2.gz ZBUDVHJORLQRMZ-QRTARXTBSA-N 1 0 380.286 2.583 20 0 GFADRO COC(=O)[C@H](c1ccccc1Br)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000872148853 662756694 /nfs/dbraw/zinc/75/66/94/662756694.db2.gz IHQVYXJGNKWFMC-CDMKHQONSA-N 1 0 395.219 2.732 20 0 GFADRO Cc1ccc2c(c1Br)CN(C(=O)C(=O)N(C)CCCCCC[NH3+])C2 ZINC000872195630 662757715 /nfs/dbraw/zinc/75/77/15/662757715.db2.gz LDCXPTASDPXUHZ-UHFFFAOYSA-N 1 0 396.329 2.577 20 0 GFADRO CC(C)(C)OC(=O)COCC[NH2+]C[C@@H](O)c1ccc(F)c(Br)c1 ZINC000872220665 662758265 /nfs/dbraw/zinc/75/82/65/662758265.db2.gz RCDDTGWPESWSKY-CQSZACIVSA-N 1 0 392.265 2.570 20 0 GFADRO Cc1ccc(C[NH2+]C[C@H](O)c2ccc(S(C)(=O)=O)cc2)cc1Br ZINC000872243673 662758937 /nfs/dbraw/zinc/75/89/37/662758937.db2.gz TVCPEMUKFRYVNT-KRWDZBQOSA-N 1 0 398.322 2.984 20 0 GFADRO CC(C)(C)[S@](C)(=O)=NS(=O)(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000872459123 662769166 /nfs/dbraw/zinc/76/91/66/662769166.db2.gz QQNYSIQICNBWAE-QHCPKHFHSA-N 1 0 379.592 2.514 20 0 GFADRO CSc1nc(Cl)c(F)c(N2CCC(N3CC[NH+](C(C)C)CC3)CC2)n1 ZINC000872494171 662772625 /nfs/dbraw/zinc/77/26/25/662772625.db2.gz BEOVGABURBTWJK-UHFFFAOYSA-N 1 0 387.956 2.986 20 0 GFADRO C[NH+](C)[C@H]1C[C@@H](CNS(=O)(=O)CCCc2ccc(C(F)(F)F)cc2)C1 ZINC000872502243 662773221 /nfs/dbraw/zinc/77/32/21/662773221.db2.gz CRFNQUNMDCEPNX-FZNQNYSPSA-N 1 0 378.460 2.898 20 0 GFADRO CN1CC[C@H]2C[N@H+](Cn3ccc(=O)c4cccc(Br)c43)CC[C@@H]21 ZINC000872726519 662786876 /nfs/dbraw/zinc/78/68/76/662786876.db2.gz RPKKKAUWHDGOLN-BBRMVZONSA-N 1 0 376.298 2.748 20 0 GFADRO Cc1noc(CCC[NH2+]Cc2cccc(F)c2I)n1 ZINC000873047404 662797534 /nfs/dbraw/zinc/79/75/34/662797534.db2.gz YJNATQGUEORJAT-UHFFFAOYSA-N 1 0 375.185 2.844 20 0 GFADRO NC(=O)[C@@H]1CCC[C@H]([NH2+]Cc2cccc(F)c2I)C1 ZINC000873056760 662797819 /nfs/dbraw/zinc/79/78/19/662797819.db2.gz ISPWRTNPHORXAI-KOLCDFICSA-N 1 0 376.213 2.564 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)C[C@H]1C(F)(F)F ZINC000873103839 662799765 /nfs/dbraw/zinc/79/97/65/662799765.db2.gz HUQHYDZEDRXRKV-WRWORJQWSA-N 1 0 384.185 2.528 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)Nc2cccc(Cl)c2Cl)C[C@H]1C(F)(F)F ZINC000873103120 662799778 /nfs/dbraw/zinc/79/97/78/662799778.db2.gz CSJKGZMVBSJLEP-HTQZYQBOSA-N 1 0 384.185 2.528 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)Nc2cc(Cl)ccc2Cl)C[C@@H]1C(F)(F)F ZINC000873104387 662799879 /nfs/dbraw/zinc/79/98/79/662799879.db2.gz MNADZWBHCOKFMD-APPZFPTMSA-N 1 0 384.185 2.528 20 0 GFADRO Cc1nn2c(C[NH2+]CC3C[C@H]4CC[C@@H](C3)S4(=O)=O)c(C(C)C)nc2s1 ZINC000873171355 662802728 /nfs/dbraw/zinc/80/27/28/662802728.db2.gz XIGFJVGHNRNEHL-AGUYFDCRSA-N 1 0 382.555 2.668 20 0 GFADRO [NH3+]C[C@H]1CN(Cc2cn(-c3ccc(F)cc3Cl)nn2)C[C@@H]1C(F)(F)F ZINC000873227547 662804151 /nfs/dbraw/zinc/80/41/51/662804151.db2.gz JDDLNZPEIPHQNM-CABZTGNLSA-N 1 0 377.773 2.629 20 0 GFADRO COc1cc(Br)c(NC(=O)N[C@]23CCC[C@@H]2[NH2+]CC3)cc1OC ZINC000873302219 662805014 /nfs/dbraw/zinc/80/50/14/662805014.db2.gz CFYGUOSLOJZKQS-HOCLYGCPSA-N 1 0 384.274 2.872 20 0 GFADRO COc1cc(Br)cc(NC(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)c1 ZINC000873314280 662805253 /nfs/dbraw/zinc/80/52/53/662805253.db2.gz MODWHPHUGQKPQI-OAHLLOKOSA-N 1 0 398.301 2.738 20 0 GFADRO COc1cc(NC(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)cc(OC)c1Br ZINC000873315426 662805290 /nfs/dbraw/zinc/80/52/90/662805290.db2.gz QRVIEJTYHNCTDE-MGPLVRAMSA-N 1 0 384.274 2.540 20 0 GFADRO C[C@]12C[NH2+]C[C@H]1CN(C(=O)Nc1nc(SCc3ccccc3)ns1)C2 ZINC000873316575 662805332 /nfs/dbraw/zinc/80/53/32/662805332.db2.gz RBSJADUKFPAALA-SUMWQHHRSA-N 1 0 375.523 2.904 20 0 GFADRO Cc1cnc(Br)c(NC(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)c1 ZINC000873328691 662805551 /nfs/dbraw/zinc/80/55/51/662805551.db2.gz YWFOEVNHLDDSOF-BDAKNGLRSA-N 1 0 381.196 2.753 20 0 GFADRO COc1ccccc1[C@@H]1CSCCCN1C(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000873333105 662805732 /nfs/dbraw/zinc/80/57/32/662805732.db2.gz OWTXRKOXLRFOMU-JSGCOSHPSA-N 1 0 377.432 2.774 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)c1cc(N)nc(Br)c1)c1cccc(F)c1 ZINC000873844619 662816020 /nfs/dbraw/zinc/81/60/20/662816020.db2.gz SZMZLWUUTZZTRK-ZDUSSCGKSA-N 1 0 381.249 2.598 20 0 GFADRO O=C(NCCCC[NH+]1CCN(Cc2ccccc2)CC1)C1(Br)CC1 ZINC000874084196 662822186 /nfs/dbraw/zinc/82/21/86/662822186.db2.gz YJPOUEOPYTWXFN-UHFFFAOYSA-N 1 0 394.357 2.628 20 0 GFADRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)c2cc(N)nc(Br)c2)C1 ZINC000874249826 662826732 /nfs/dbraw/zinc/82/67/32/662826732.db2.gz VDZKTDNCGZHCQJ-MBNYWOFBSA-N 1 0 381.318 2.904 20 0 GFADRO Cc1nc2ccc(Br)cn2c1C(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2C ZINC000874829739 662837679 /nfs/dbraw/zinc/83/76/79/662837679.db2.gz NPONCKQQSKHPTM-KGLIPLIRSA-N 1 0 377.286 2.714 20 0 GFADRO COC(=O)c1cc(Br)cc(C(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3C)c1 ZINC000874830898 662837741 /nfs/dbraw/zinc/83/77/41/662837741.db2.gz WWDNEIDHCIIUMI-GJZGRUSLSA-N 1 0 381.270 2.544 20 0 GFADRO Cc1csc(C(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3C)c1I ZINC000874830764 662837800 /nfs/dbraw/zinc/83/78/00/662837800.db2.gz TZJACXBWYQGCJK-QWRGUYRKSA-N 1 0 390.290 2.970 20 0 GFADRO CC[NH+](CC)[C@@H](CNC(=O)C(=O)NCC[C@@H]1CCSC1)c1ccsc1 ZINC000875056754 662841376 /nfs/dbraw/zinc/84/13/76/662841376.db2.gz GSXNQHKKWJCGHV-ZBFHGGJFSA-N 1 0 383.583 2.507 20 0 GFADRO CC(C)[C@@H](CNC(=O)NCc1ncc(Br)s1)[NH+]1CCCC1 ZINC000875240828 662843838 /nfs/dbraw/zinc/84/38/38/662843838.db2.gz SMAXJBRXZNWGLO-LLVKDONJSA-N 1 0 375.336 2.825 20 0 GFADRO CN(CC[NH+]1CC2(C1)CCOCC2)C(=O)NCc1ccc(Br)cc1 ZINC000875252964 662843910 /nfs/dbraw/zinc/84/39/10/662843910.db2.gz ZYYOZIQQLYBCDB-UHFFFAOYSA-N 1 0 396.329 2.703 20 0 GFADRO C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCO[C@H](c2ccccc2Br)C1 ZINC000876627971 662863774 /nfs/dbraw/zinc/86/37/74/662863774.db2.gz MDSPRTBVMDWPRI-BZPHUWGXSA-N 1 0 379.298 2.761 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)/C=C/[C@@H]1CCC[NH2+]C1 ZINC000876633235 662863823 /nfs/dbraw/zinc/86/38/23/662863823.db2.gz PAXDTHMRRUMAFM-GBXSZLQWSA-N 1 0 394.313 2.758 20 0 GFADRO [NH3+]C[C@@H]1[C@H](C(=O)NCc2cc(Br)ccc2OC(F)F)C1(F)F ZINC000876637306 662864040 /nfs/dbraw/zinc/86/40/40/662864040.db2.gz VDBDCSNMFUTWIN-PSASIEDQSA-N 1 0 385.155 2.507 20 0 GFADRO C[C@H](CNC(=O)[C@@H](F)[C@@H]1CC[NH2+]C1)Sc1ccc(Br)cc1 ZINC000876656975 662864226 /nfs/dbraw/zinc/86/42/26/662864226.db2.gz AVLLJNNIAUQZPH-GYSYKLTISA-N 1 0 375.307 2.994 20 0 GFADRO COc1cccc(C[C@@H]([NH3+])C(=O)NC[C@H](O)c2cc(Cl)cc(Cl)c2)c1 ZINC000876670347 662864489 /nfs/dbraw/zinc/86/44/89/662864489.db2.gz BTRKRMDJYSGFMQ-SJORKVTESA-N 1 0 383.275 2.722 20 0 GFADRO O=C(NC[C@@H]1CCN(c2ccc(Br)cc2)C1)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000876733277 662865525 /nfs/dbraw/zinc/86/55/25/662865525.db2.gz UIDQGPVVUQOLCI-YJLNNSPDSA-N 1 0 392.341 2.924 20 0 GFADRO C[S@@](=O)C1(C(=O)Nc2ccc(OCC(F)(F)F)c(Cl)c2)CC[NH2+]CC1 ZINC000876893250 662867810 /nfs/dbraw/zinc/86/78/10/662867810.db2.gz DIRXRJDVUCCLSF-RUZDIDTESA-N 1 0 398.834 2.720 20 0 GFADRO O=C([C@@H](F)[C@@H]1CC[NH2+]C1)N1CCc2[nH]c3ccc(Br)cc3c2C1 ZINC000876963517 662868735 /nfs/dbraw/zinc/86/87/35/662868735.db2.gz QLQOLXKIEYYREN-HWPZZCPQSA-N 1 0 380.261 2.763 20 0 GFADRO O=C(/C=C\[C@@H]1CCC[NH2+]C1)N1CCOC[C@@H]1c1cccc(Br)c1 ZINC000876970314 662868851 /nfs/dbraw/zinc/86/88/51/662868851.db2.gz OOEBEFUDLVBKDI-GRQQHNRBSA-N 1 0 379.298 2.905 20 0 GFADRO [NH3+][C@@H](C(=O)N1CCO[C@@H](CC(F)(F)F)C1)c1cccc(Br)c1 ZINC000876978248 662868979 /nfs/dbraw/zinc/86/89/79/662868979.db2.gz HTWPYEAGPXEUSL-NWDGAFQWSA-N 1 0 381.192 2.629 20 0 GFADRO O=C(/C=C\[C@@H]1CCC[NH2+]C1)NCCc1ccc(I)cc1 ZINC000876974740 662868996 /nfs/dbraw/zinc/86/89/96/662868996.db2.gz RJFUYUCUOXOVFF-PODYEWJSSA-N 1 0 384.261 2.506 20 0 GFADRO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000877003382 662869525 /nfs/dbraw/zinc/86/95/25/662869525.db2.gz SQMNVZVTLZXALP-AWEZNQCLSA-N 1 0 391.265 2.878 20 0 GFADRO COc1cc(Br)ccc1[C@@H]1CCCN1C(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000877012441 662869549 /nfs/dbraw/zinc/86/95/49/662869549.db2.gz URWDGMCZCZQSBB-OBJOEFQTSA-N 1 0 389.240 2.961 20 0 GFADRO C[N@@H+]1CCC[C@H](CNCc2cccc(S(N)(=O)=O)c2)[C@@H]1c1cccs1 ZINC000877055864 662870353 /nfs/dbraw/zinc/87/03/53/662870353.db2.gz WKXAFTOSDMDOAS-CRAIPNDOSA-N 1 0 379.551 2.568 20 0 GFADRO CC(C)(C)NS(=O)(=O)C1(C[NH2+]C[C@H](O)c2cc3ccccc3s2)CC1 ZINC000877093462 662870982 /nfs/dbraw/zinc/87/09/82/662870982.db2.gz BCTYYMNFOMYABM-AWEZNQCLSA-N 1 0 382.551 2.775 20 0 GFADRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)c1cnn(-c2ncccc2Cl)c1C(F)(F)Cl ZINC000877109326 662871194 /nfs/dbraw/zinc/87/11/94/662871194.db2.gz GFKMRMZOENCONP-GZMMTYOYSA-N 1 0 390.221 2.689 20 0 GFADRO CCO[P@@](C)(=O)CC[C@H](C)[NH2+]CCN(C)S(=O)(=O)c1cccs1 ZINC000877115099 662871221 /nfs/dbraw/zinc/87/12/21/662871221.db2.gz IWRKYPQAOWUIQP-YEJXKQKISA-N 1 0 382.488 2.681 20 0 GFADRO Cc1c(Br)cccc1CC(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000877117028 662871271 /nfs/dbraw/zinc/87/12/71/662871271.db2.gz ZKBMDUMHBJFXHG-QGZVFWFLSA-N 1 0 395.341 2.917 20 0 GFADRO CN(C[C@@H](O)COc1cc(Cl)cc(Cl)c1)C(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC000877129609 662871482 /nfs/dbraw/zinc/87/14/82/662871482.db2.gz DJDWJMWPHNCPCW-KCPJHIHWSA-N 1 0 375.296 2.709 20 0 GFADRO [NH3+][C@@H](CC(=O)N1CC2(CCOCC2)c2ccc(Br)cc21)C1CC1 ZINC000877139640 662871656 /nfs/dbraw/zinc/87/16/56/662871656.db2.gz UWXLJGGDBPHFTN-HNNXBMFYSA-N 1 0 379.298 2.971 20 0 GFADRO C[S@](=O)C1(C(=O)N2CCC(Cc3ccc(Cl)cc3)CC2)CC[NH2+]CC1 ZINC000877248696 662872491 /nfs/dbraw/zinc/87/24/91/662872491.db2.gz BWARZPWKIFSEIM-VWLOTQADSA-N 1 0 382.957 2.622 20 0 GFADRO O=C(c1cc(Cl)ccc1I)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000877284256 662873135 /nfs/dbraw/zinc/87/31/35/662873135.db2.gz LVOSWBFPCPADQR-OLZOCXBDSA-N 1 0 390.652 2.911 20 0 GFADRO O=C(c1cc(Cl)ccc1I)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000877284257 662873177 /nfs/dbraw/zinc/87/31/77/662873177.db2.gz LVOSWBFPCPADQR-QWHCGFSZSA-N 1 0 390.652 2.911 20 0 GFADRO O=C(NC[C@H]1CC2(CO1)CC[NH2+]CC2)C1(c2cccc(Br)c2)CC1 ZINC000877336159 662873842 /nfs/dbraw/zinc/87/38/42/662873842.db2.gz KXNMSRAKNLKPFU-MRXNPFEDSA-N 1 0 393.325 2.756 20 0 GFADRO Cc1cccc(CC(=O)N2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1Br ZINC000877356543 662874330 /nfs/dbraw/zinc/87/43/30/662874330.db2.gz SHUHRZMZBVKNQM-RYUDHWBXSA-N 1 0 379.220 2.896 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)[C@H]2COc3ccc(Br)cc32)C[C@@H]1C(F)(F)F ZINC000877358181 662874368 /nfs/dbraw/zinc/87/43/68/662874368.db2.gz ODIPMLWTHYMMNS-ZHAHWJHGSA-N 1 0 393.203 2.521 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)CCc2ccccc2Br)C[C@H]1C(F)(F)F ZINC000877365919 662874704 /nfs/dbraw/zinc/87/47/04/662874704.db2.gz HAGROOKQVRTZTG-NWDGAFQWSA-N 1 0 379.220 2.977 20 0 GFADRO Cc1c(C(=O)N[C@]23CCC[C@H]2[NH2+]CC3)cnn1-c1cccc(Br)c1 ZINC000877390924 662875301 /nfs/dbraw/zinc/87/53/01/662875301.db2.gz HCFMTBVQAOMFKE-AEFFLSMTSA-N 1 0 389.297 2.958 20 0 GFADRO O=C(COc1ccc(Br)cn1)N[C@@H]1CCCCC12CC[NH2+]CC2 ZINC000877409637 662875620 /nfs/dbraw/zinc/87/56/20/662875620.db2.gz WXGFBZQTNMBWJM-CQSZACIVSA-N 1 0 382.302 2.652 20 0 GFADRO Cn1cc(Br)c(C(=O)N2CCC[C@H](C[C@@H]([NH3+])C3CCCC3)C2)n1 ZINC000877447123 662876099 /nfs/dbraw/zinc/87/60/99/662876099.db2.gz XZXUTVNEFKBWKY-IUODEOHRSA-N 1 0 383.334 2.942 20 0 GFADRO O=S1(=O)CCCN1[C@@H]1CCC[N@@H+](Cc2cc3nc(Cl)ccc3s2)C1 ZINC000877485125 662877073 /nfs/dbraw/zinc/87/70/73/662877073.db2.gz LGSJKMPVHWCEKC-GFCCVEGCSA-N 1 0 385.942 2.950 20 0 GFADRO C[C@]1(C[C@H]2CCC[N@@H+]2Cc2cc3nc(Cl)ccc3s2)NC(=O)NC1=O ZINC000877518958 662877820 /nfs/dbraw/zinc/87/78/20/662877820.db2.gz VRYRYFAPGJPKIG-BMLIUANNSA-N 1 0 378.885 2.902 20 0 GFADRO CN(CC[N@H+](C)C1CCN(C)CC1)Cc1nc(Cl)ccc1Br ZINC000877521703 662877968 /nfs/dbraw/zinc/87/79/68/662877968.db2.gz AGQWSVOKUVTQRN-UHFFFAOYSA-N 1 0 389.769 2.955 20 0 GFADRO COc1ccc(C[C@H](CO)C[NH2+]Cc2nccc(C)c2Br)cc1O ZINC000877527056 662878133 /nfs/dbraw/zinc/87/81/33/662878133.db2.gz KQRMLAODNPSLDN-AWEZNQCLSA-N 1 0 395.297 2.808 20 0 GFADRO Cn1cc([C@H]2C[N@H+](Cc3cccnc3Br)CC23CCOCC3)cn1 ZINC000877563133 662878942 /nfs/dbraw/zinc/87/89/42/662878942.db2.gz GNQUCCNDDGFRBY-MRXNPFEDSA-N 1 0 391.313 2.974 20 0 GFADRO COC(=O)c1ccc(CN2CCO[C@H](CCC[NH+](C)C)C2)cc1Br ZINC000877642383 662880670 /nfs/dbraw/zinc/88/06/70/662880670.db2.gz JKSDBXKILAALFG-OAHLLOKOSA-N 1 0 399.329 2.778 20 0 GFADRO COC(=O)c1ccc(C[NH2+]CC(C)(C)C(=O)N2CCCC2)cc1Br ZINC000877658509 662880897 /nfs/dbraw/zinc/88/08/97/662880897.db2.gz ZHIHVSYEIGRELY-UHFFFAOYSA-N 1 0 397.313 2.974 20 0 GFADRO CC[C@H](Cc1cn(C)c2ccccc12)[NH2+]Cc1ccc(S(N)(=O)=O)s1 ZINC000877683406 662881739 /nfs/dbraw/zinc/88/17/39/662881739.db2.gz AKNVOSBXMMDNRH-CQSZACIVSA-N 1 0 377.535 2.998 20 0 GFADRO COC(=O)c1ccc(C[NH2+]C[C@@H]2CC3(CO2)CCOCC3)c(Br)c1 ZINC000877728631 662882505 /nfs/dbraw/zinc/88/25/05/662882505.db2.gz IAMUVDKYPBXDHJ-HNNXBMFYSA-N 1 0 398.297 2.911 20 0 GFADRO COc1cc(Br)c(C[NH+]2CCC3(CCNC3=O)CC2)cc1OC ZINC000877783169 662883628 /nfs/dbraw/zinc/88/36/28/662883628.db2.gz HSEDJQSLSAERIF-UHFFFAOYSA-N 1 0 383.286 2.568 20 0 GFADRO C[C@@H](C[NH2+]CCOC(F)(F)C(F)(F)F)c1ccc(S(C)(=O)=O)cc1 ZINC000877805634 662884564 /nfs/dbraw/zinc/88/45/64/662884564.db2.gz FORJQZBQINDOST-JTQLQIEISA-N 1 0 375.359 2.955 20 0 GFADRO CC(C)[C@H](O)CC[NH+]1CCC(C(=O)Nc2ccc(Br)cn2)CC1 ZINC000878213411 662891830 /nfs/dbraw/zinc/89/18/30/662891830.db2.gz GCCJFMUCJYSVHO-OAHLLOKOSA-N 1 0 384.318 2.902 20 0 GFADRO COc1ccc(C2([NH2+]C[C@H](O)c3cc(Br)no3)CCOCC2)cc1 ZINC000878240705 662892257 /nfs/dbraw/zinc/89/22/57/662892257.db2.gz WCNHTQNVXZXRJV-AWEZNQCLSA-N 1 0 397.269 2.775 20 0 GFADRO O[C@@H](C[NH2+][C@@H](Cn1cccn1)c1ccccc1)c1cc(Br)no1 ZINC000878256317 662892600 /nfs/dbraw/zinc/89/26/00/662892600.db2.gz BKKFCCQUHZVWMO-KBPBESRZSA-N 1 0 377.242 2.698 20 0 GFADRO C[NH+](C)CCOc1cccc(NC(=O)NCc2cnc(Br)cn2)c1 ZINC000878282301 662893129 /nfs/dbraw/zinc/89/31/29/662893129.db2.gz PSIXXEHKCMOXLF-UHFFFAOYSA-N 1 0 394.273 2.501 20 0 GFADRO Cc1nc(CN2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)sc1Br ZINC000878323949 662893817 /nfs/dbraw/zinc/89/38/17/662893817.db2.gz FLUDVKPESMOYKN-OCCSQVGLSA-N 1 0 387.391 2.672 20 0 GFADRO CN(C[C@H]1CCC[N@H+](Cc2ccc3ccc(Cl)cc3n2)C1)S(C)(=O)=O ZINC000878598955 662899874 /nfs/dbraw/zinc/89/98/74/662899874.db2.gz RCTJVENGPOYDNH-CQSZACIVSA-N 1 0 381.929 2.992 20 0 GFADRO C[C@@](CO)([NH2+]CCc1ccc(C(N)=O)cc1)c1ccc(Br)cc1 ZINC000878603358 662900042 /nfs/dbraw/zinc/90/00/42/662900042.db2.gz YKFKASIKQMKVKL-SFHVURJKSA-N 1 0 377.282 2.588 20 0 GFADRO C[C@](CO)([NH2+]C[C@@H](O)C[C@@H](O)c1ccccc1)c1ccc(Br)cc1 ZINC000878602644 662900046 /nfs/dbraw/zinc/90/00/46/662900046.db2.gz BDZWHUHSZZMVRL-IPMKNSEASA-N 1 0 394.309 2.731 20 0 GFADRO O[C@H](C[N@@H+]1CC[C@H](Oc2cncc(Br)c2)C1)c1ccc(F)cn1 ZINC000878876140 662908079 /nfs/dbraw/zinc/90/80/79/662908079.db2.gz SDSZNYRZZSXZJQ-XJKSGUPXSA-N 1 0 382.233 2.565 20 0 GFADRO CCCC[N@H+](C)CC1CCN(C(=O)Cc2c(Br)cnn2C)CC1 ZINC000878878509 662908234 /nfs/dbraw/zinc/90/82/34/662908234.db2.gz NJAOWMKBAAOEDL-UHFFFAOYSA-N 1 0 385.350 2.696 20 0 GFADRO CC(C)(C)[NH2+]CCNC(=O)c1cc(Br)ncc1Br ZINC000878917870 662909573 /nfs/dbraw/zinc/90/95/73/662909573.db2.gz XSEJZXGOCMKDIP-UHFFFAOYSA-N 1 0 379.096 2.725 20 0 GFADRO CCOP(=O)(OCC)[C@@H](O)C[NH2+][C@@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000879097391 662916382 /nfs/dbraw/zinc/91/63/82/662916382.db2.gz VEXSVEHKHJXSOZ-OAGGEKHMSA-N 1 0 379.340 2.969 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(CCC(=O)Nc3ccc(Br)cc3F)CC[C@@H]21 ZINC000879571935 662929726 /nfs/dbraw/zinc/92/97/26/662929726.db2.gz UROCOUPREPKSNT-WBMJQRKESA-N 1 0 384.293 2.943 20 0 GFADRO CN1CC[NH+](C2CCN(CC(=O)Nc3ccc(Cl)cc3Cl)CC2)CC1 ZINC000879593472 662930211 /nfs/dbraw/zinc/93/02/11/662930211.db2.gz XGGAXBGVRXEGPP-UHFFFAOYSA-N 1 0 385.339 2.644 20 0 GFADRO CN(CCC[N@H+](C)Cc1ccco1)C(=O)Nc1cc(Br)nn1C ZINC000879639189 662931604 /nfs/dbraw/zinc/93/16/04/662931604.db2.gz PDTZRWGZPCQZHJ-UHFFFAOYSA-N 1 0 384.278 2.761 20 0 GFADRO C[C@H](NC(=O)Nc1cn(C)nc1Br)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000880054972 662948261 /nfs/dbraw/zinc/94/82/61/662948261.db2.gz PSINFYUZINYVFZ-NWDGAFQWSA-N 1 0 384.322 2.957 20 0 GFADRO Cn1cc(NC(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)c(Br)n1 ZINC000880061669 662949260 /nfs/dbraw/zinc/94/92/60/662949260.db2.gz YZGIBXSYFHEOPP-JSGCOSHPSA-N 1 0 378.274 2.750 20 0 GFADRO O=C(CC[N@@H+]1CCNC(=O)CC12CCC2)Nc1ccc(Br)cc1F ZINC000880169859 662953439 /nfs/dbraw/zinc/95/34/39/662953439.db2.gz DCXBZKUTLUYVLY-UHFFFAOYSA-N 1 0 398.276 2.661 20 0 GFADRO O=C(C(=O)N1CCCN(c2cc[nH+]cc2)CC1)c1ccc(Br)s1 ZINC000880380437 662958832 /nfs/dbraw/zinc/95/88/32/662958832.db2.gz PFBMBVZZMDYUSL-UHFFFAOYSA-N 1 0 394.294 2.827 20 0 GFADRO CO[C@@H]1COCC[C@@H]1[N@H+](C)CCC(=O)Nc1ccc(Br)cc1F ZINC000880424899 662959667 /nfs/dbraw/zinc/95/96/67/662959667.db2.gz KSIAVULNJOAXAO-LSDHHAIUSA-N 1 0 389.265 2.653 20 0 GFADRO CS[C@@H]1CN(C(=O)Nc2ccc(C(=O)C(F)(F)F)cc2)C[C@@H]1[NH+](C)C ZINC000880431449 662960112 /nfs/dbraw/zinc/96/01/12/662960112.db2.gz ZDHFWASLCBWCIZ-QWHCGFSZSA-N 1 0 375.416 2.941 20 0 GFADRO CC[C@H]([NH2+]Cc1nnnn1-c1ccccc1Br)[C@@H]1CCCOC1 ZINC000880465763 662960576 /nfs/dbraw/zinc/96/05/76/662960576.db2.gz IFFPNNDTULSWNU-OCCSQVGLSA-N 1 0 380.290 2.720 20 0 GFADRO Brc1ccccc1-n1nnnc1C[NH2+][C@@H]1CCC[C@]12CCCO2 ZINC000880506097 662961177 /nfs/dbraw/zinc/96/11/77/662961177.db2.gz AXLGAVYANBHMJR-ZBFHGGJFSA-N 1 0 378.274 2.616 20 0 GFADRO COC(=O)c1ccc(C[NH+]2CCC3(CC2)COCCO3)c(Br)c1 ZINC000880548387 662962306 /nfs/dbraw/zinc/96/23/06/662962306.db2.gz RFWYZWWYLXMLDT-UHFFFAOYSA-N 1 0 384.270 2.617 20 0 GFADRO CN(C)Cc1cc(NC(=O)NC[C@@H](O)c2cccc(Br)c2)ccn1 ZINC000880612153 662964101 /nfs/dbraw/zinc/96/41/01/662964101.db2.gz DXUNJOURWUMZJU-MRXNPFEDSA-N 1 0 393.285 2.761 20 0 GFADRO O[C@@H](Cn1cc(CC[NH+]2CCCCC2)nn1)c1ccccc1Br ZINC000881420228 662993461 /nfs/dbraw/zinc/99/34/61/662993461.db2.gz WBTMGHYJXONQHH-KRWDZBQOSA-N 1 0 379.302 2.803 20 0 GFADRO C[C@](O)(Cn1cc(C2CC[NH2+]CC2)nn1)c1ccc(Br)cc1F ZINC000881425227 662993863 /nfs/dbraw/zinc/99/38/63/662993863.db2.gz UWDYQAJLPBKPGA-INIZCTEOSA-N 1 0 383.265 2.554 20 0 GFADRO O=C(Cc1cccc(Br)c1)N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000881471214 662995307 /nfs/dbraw/zinc/99/53/07/662995307.db2.gz BWGUEVVMQNFMTG-KRWDZBQOSA-N 1 0 381.314 2.751 20 0 GFADRO COc1cc(Br)ccc1C(=O)N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000881472119 662995327 /nfs/dbraw/zinc/99/53/27/662995327.db2.gz NCNDYIZHPXYLPH-HNNXBMFYSA-N 1 0 397.313 2.831 20 0 GFADRO CCC1([NH+]2CCCCC2)CCN(C(=O)Cc2c(Br)cnn2C)CC1 ZINC000881627535 662998348 /nfs/dbraw/zinc/99/83/48/662998348.db2.gz HVWWVZHZHXCDNR-UHFFFAOYSA-N 1 0 397.361 2.982 20 0 GFADRO Cc1cccc(C[NH+]2CCN(c3ccc4nnc(Br)n4n3)CC2)c1 ZINC000881769652 663002581 /nfs/dbraw/zinc/00/25/81/663002581.db2.gz PJUKWXNFWZOXIX-UHFFFAOYSA-N 1 0 387.285 2.517 20 0 GFADRO CC(C)C[C@@H](CNc1cnn(CC(F)(F)F)c(=O)c1Br)[NH+](C)C ZINC000881787214 663003130 /nfs/dbraw/zinc/00/31/30/663003130.db2.gz BETNBEAKNHTVKY-JTQLQIEISA-N 1 0 399.255 2.956 20 0 GFADRO CCCC[NH+]1CCC(NS(=O)(=O)N=[S@](C)(=O)C2CCCCC2)CC1 ZINC000881819102 663004666 /nfs/dbraw/zinc/00/46/66/663004666.db2.gz FCSZBMXMNXFEJH-HSZRJFAPSA-N 1 0 379.592 2.516 20 0 GFADRO CC[N@H+](C)Cc1cccc(CNc2ccc3nnc(Br)n3n2)c1 ZINC000881837005 663005330 /nfs/dbraw/zinc/00/53/30/663005330.db2.gz LXQBQXNWGMZWKJ-UHFFFAOYSA-N 1 0 375.274 2.951 20 0 GFADRO CC[NH+](CC)[C@@H]1CCN(S(=O)(=O)c2cnc(Cl)cc2C(F)(F)F)C1 ZINC000881953064 663010858 /nfs/dbraw/zinc/01/08/58/663010858.db2.gz LXJQKGSSCHFDDI-SNVBAGLBSA-N 1 0 385.839 2.859 20 0 GFADRO C[N@H+](CCCO)C1CCN(c2ccc([S@@](=N)(=O)C(F)(F)F)cc2)CC1 ZINC000881984981 663012219 /nfs/dbraw/zinc/01/22/19/663012219.db2.gz GBWFERGYNAOVBN-RUZDIDTESA-N 1 0 379.448 2.895 20 0 GFADRO C[C@H](C[NH+](C)C)[C@@H]1CCCCN1S(=O)(=O)c1cncc(Br)c1 ZINC000882431013 663027524 /nfs/dbraw/zinc/02/75/24/663027524.db2.gz HSSZLFPXYRSMIE-DOMZBBRYSA-N 1 0 390.347 2.585 20 0 GFADRO C[NH+](C)C1(C)CCC(NS(=O)(=O)N=[S@](C)(=O)C2CCCCC2)CC1 ZINC000882497974 663029123 /nfs/dbraw/zinc/02/91/23/663029123.db2.gz PFTXBLTZHZYUES-HHQIGMCSSA-N 1 0 379.592 2.514 20 0 GFADRO CC1([NH+]2CCC2)CCN(C(=O)c2cccc(I)c2)CC1 ZINC000882499480 663029166 /nfs/dbraw/zinc/02/91/66/663029166.db2.gz PCMLDVSJIXNUGS-UHFFFAOYSA-N 1 0 384.261 2.992 20 0 GFADRO CC1([NH+]2CCC2)CCN(C(=O)c2ccc(I)cc2)CC1 ZINC000882499936 663029308 /nfs/dbraw/zinc/02/93/08/663029308.db2.gz VLAWMTKSYDHLSO-UHFFFAOYSA-N 1 0 384.261 2.992 20 0 GFADRO C[C@H]1C[C@@H](C(=O)N[C@@H]2CCc3cc(Br)ccc3NC2=O)CC[N@@H+]1C ZINC000882736852 663039481 /nfs/dbraw/zinc/03/94/81/663039481.db2.gz UVPYTJPXJCUOLA-DETPVDSQSA-N 1 0 394.313 2.549 20 0 GFADRO CC1([NH+]2CCC2)CCN(S(=O)(=O)c2ccccc2OC(F)(F)F)CC1 ZINC000882769662 663041301 /nfs/dbraw/zinc/04/13/01/663041301.db2.gz HIAAOCBMRFYNAX-UHFFFAOYSA-N 1 0 378.416 2.834 20 0 GFADRO Cn1nc2c(c1C[NH2+]CCCCn1cc(Br)cn1)CSCC2 ZINC000883107397 663049420 /nfs/dbraw/zinc/04/94/20/663049420.db2.gz XGNWXSHMAIZFCM-UHFFFAOYSA-N 1 0 384.347 2.738 20 0 GFADRO Cn1nc2c(c1C[NH2+]C[C@@H](O)c1cccc(Br)c1)CSCC2 ZINC000883113522 663049794 /nfs/dbraw/zinc/04/97/94/663049794.db2.gz VLZJRHVRZXYXSZ-MRXNPFEDSA-N 1 0 382.327 2.795 20 0 GFADRO CC1(C[NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)CC(F)(F)C1 ZINC000883250481 663051949 /nfs/dbraw/zinc/05/19/49/663051949.db2.gz ARRUGAIMAJKLCI-UHFFFAOYSA-N 1 0 383.258 2.622 20 0 GFADRO O=S1(=O)CCC[C@H]1CC[NH2+]Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000883300198 663052965 /nfs/dbraw/zinc/05/29/65/663052965.db2.gz QFWSKLHAPDNWBC-INIZCTEOSA-N 1 0 398.326 2.692 20 0 GFADRO COc1cc(C[NH2+]C[C@@H](O)C(F)(F)C(F)(F)F)cc(Br)c1O ZINC000883365611 663053942 /nfs/dbraw/zinc/05/39/42/663053942.db2.gz DJZALOMSWVBDOG-SECBINFHSA-N 1 0 394.134 2.811 20 0 GFADRO CC(C)(C)OC(=O)N1CCC[C@H]([NH2+]C[C@H](O)C(F)(F)C(F)(F)F)CC1 ZINC000883361194 663053956 /nfs/dbraw/zinc/05/39/56/663053956.db2.gz WKJNEGCBHSARGZ-QWRGUYRKSA-N 1 0 376.366 2.924 20 0 GFADRO O=C(Nc1ccccc1Br)C1CCN(C[C@@H]2C[C@H](F)C[NH2+]2)CC1 ZINC000883421645 663055080 /nfs/dbraw/zinc/05/50/80/663055080.db2.gz RHQNFXNOXSJSLZ-KBPBESRZSA-N 1 0 384.293 2.800 20 0 GFADRO C[NH2+]C[C@H]1CCCCN1S(=O)(=O)c1cc(Cl)ccc1O[C@H](C)COC ZINC000883473840 663055742 /nfs/dbraw/zinc/05/57/42/663055742.db2.gz PRAAGODEUPGFHJ-UKRRQHHQSA-N 1 0 390.933 2.516 20 0 GFADRO CCC1([NH3+])CCN(S(=O)(=O)c2cc(Cl)ccc2O[C@H](C)COC)CC1 ZINC000883483439 663056061 /nfs/dbraw/zinc/05/60/61/663056061.db2.gz HAUWGFPXGDNJNW-CYBMUJFWSA-N 1 0 390.933 2.646 20 0 GFADRO [NH3+]Cc1nc2c(s1)CCN(S(=O)(=O)Cc1c(Cl)cccc1Cl)C2 ZINC000883481712 663056071 /nfs/dbraw/zinc/05/60/71/663056071.db2.gz YDIFRWAXJMCUCP-UHFFFAOYSA-N 1 0 392.333 2.797 20 0 GFADRO O=C(NCCc1sccc1Br)Nc1cnc2c(c1)C[NH2+]CC2 ZINC000883572455 663057236 /nfs/dbraw/zinc/05/72/36/663057236.db2.gz IJKMIOSUHMXSAK-UHFFFAOYSA-N 1 0 381.299 2.916 20 0 GFADRO [NH3+]Cc1nc2c(s1)CCN(N1CCO[C@@H](c3c(F)cccc3Cl)C1)C2 ZINC000883574708 663057407 /nfs/dbraw/zinc/05/74/07/663057407.db2.gz MWNJEGNJVAJQJP-CQSZACIVSA-N 1 0 382.892 2.741 20 0 GFADRO Cc1cc(C[NH3+])cc(NC(=O)C(=O)N(C)Cc2cscc2Br)c1 ZINC000883630280 663058497 /nfs/dbraw/zinc/05/84/97/663058497.db2.gz QKUAHGXIUNRTMM-UHFFFAOYSA-N 1 0 396.310 2.875 20 0 GFADRO C[NH2+][C@@H](CC(C)C)C(=O)NCc1nnc2c(Cl)cc(C(F)(F)F)cn12 ZINC000884061400 663064352 /nfs/dbraw/zinc/06/43/52/663064352.db2.gz HCHWPSIQMOHJFP-NSHDSACASA-N 1 0 377.798 2.652 20 0 GFADRO [NH3+][C@@H](C(=O)N[C@H]1CCCc2[nH]c(=O)ccc21)c1ccc(Br)cc1 ZINC000884065173 663064387 /nfs/dbraw/zinc/06/43/87/663064387.db2.gz GPGINQSEZNNWHD-GOEBONIOSA-N 1 0 376.254 2.743 20 0 GFADRO CN(Cc1cc(Br)cs1)C(=O)c1ccnc(N2CC[NH2+]CC2)c1 ZINC000884089930 663064813 /nfs/dbraw/zinc/06/48/13/663064813.db2.gz FCHQIZKXEILXEB-UHFFFAOYSA-N 1 0 395.326 2.587 20 0 GFADRO C[C@@H](CNC(=O)NCCc1ccc(Cl)c(Cl)c1)C[NH+]1CCN(C)CC1 ZINC000884199061 663066908 /nfs/dbraw/zinc/06/69/08/663066908.db2.gz NPQKJRJETHVRKF-AWEZNQCLSA-N 1 0 387.355 2.719 20 0 GFADRO O=C(COCCc1ccc(Br)cc1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000884287667 663068157 /nfs/dbraw/zinc/06/81/57/663068157.db2.gz IPJPJUXKOJTXFM-GOSISDBHSA-N 1 0 381.314 2.610 20 0 GFADRO Cc1nc(CC(F)(F)F)sc1CC(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000884300589 663068432 /nfs/dbraw/zinc/06/84/32/663068432.db2.gz CHEQTHZIKCCHAG-OLZOCXBDSA-N 1 0 375.460 2.947 20 0 GFADRO O=C(COCCc1ccc(Br)cc1)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000884301249 663068450 /nfs/dbraw/zinc/06/84/50/663068450.db2.gz RNMDLKYMMPGEGS-SJORKVTESA-N 1 0 395.341 2.856 20 0 GFADRO C[NH2+]C[C@@H](C)NC(=O)CCc1cc(Br)c(Br)s1 ZINC000884420106 663070421 /nfs/dbraw/zinc/07/04/21/663070421.db2.gz KEMSHQUTWUOFNE-SSDOTTSWSA-N 1 0 384.137 2.930 20 0 GFADRO COc1cc(Cl)c(S(=O)(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1Cl ZINC000884949271 663079203 /nfs/dbraw/zinc/07/92/03/663079203.db2.gz CJCNSIAJIOGNTM-WDEREUQCSA-N 1 0 379.309 2.907 20 0 GFADRO O=S(=O)(/C=C\c1ccc(Br)cc1)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000884950224 663079250 /nfs/dbraw/zinc/07/92/50/663079250.db2.gz MUVYTBUEJDYJTK-BMEWNCGWSA-N 1 0 385.327 2.966 20 0 GFADRO C[NH+](C)CCn1cc(C(=O)N2CC(Cc3ccc(Br)cc3)C2)cn1 ZINC000885686562 663095054 /nfs/dbraw/zinc/09/50/54/663095054.db2.gz JHSBXQGBLFBGAK-UHFFFAOYSA-N 1 0 391.313 2.522 20 0 GFADRO O=C(NC[C@H]1CC[N@@H+]1C1CCOCC1)c1cc2cc(Br)sc2[nH]1 ZINC000885865505 663099628 /nfs/dbraw/zinc/09/96/28/663099628.db2.gz HMNIUHNBHAEZQQ-GFCCVEGCSA-N 1 0 398.326 2.975 20 0 GFADRO C[C@@H]1CCNC(=O)[C@H]1[NH2+]Cc1cc(Br)c(Br)s1 ZINC000886105394 663103254 /nfs/dbraw/zinc/10/32/54/663103254.db2.gz YYCWQRGJWJWKTG-MUWHJKNJSA-N 1 0 382.121 2.887 20 0 GFADRO COC(=O)N1CCC([NH2+]Cc2ccn(-c3ccc(Br)cc3)n2)CC1 ZINC000886310265 663107974 /nfs/dbraw/zinc/10/79/74/663107974.db2.gz IASQWZBXKAICLH-UHFFFAOYSA-N 1 0 393.285 2.955 20 0 GFADRO COC[C@@H]([NH2+]Cc1ccc(I)s1)[C@@H]1CCCOC1 ZINC000886357692 663108939 /nfs/dbraw/zinc/10/89/39/663108939.db2.gz KKZKABXOCDPJOA-ZYHUDNBSSA-N 1 0 381.279 2.884 20 0 GFADRO COC[C@@H]([NH2+]Cc1ccccc1I)[C@H]1CCCOC1 ZINC000886359571 663108948 /nfs/dbraw/zinc/10/89/48/663108948.db2.gz FRBVVKMHWIMUHN-DZGCQCFKSA-N 1 0 375.250 2.822 20 0 GFADRO O=S(=O)(NC[C@H]1C[NH2+]CCC1(F)F)c1c(Cl)cccc1C(F)(F)F ZINC000886896539 663123954 /nfs/dbraw/zinc/12/39/54/663123954.db2.gz MWPHNQZXBWIDSV-MRVPVSSYSA-N 1 0 392.777 2.882 20 0 GFADRO COC[C@@H]([NH2+]Cc1cc2c(cc1Br)OCCO2)[C@@H]1CCCOC1 ZINC000886903681 663124339 /nfs/dbraw/zinc/12/43/39/663124339.db2.gz FFILBIXWQVPQOB-IUODEOHRSA-N 1 0 386.286 2.752 20 0 GFADRO COC[C@H]([NH2+]C[C@@H](O)COc1cc(Cl)ccc1Cl)[C@H]1CCCOC1 ZINC000886906419 663124496 /nfs/dbraw/zinc/12/44/96/663124496.db2.gz WXKFHGDBJKVUON-BJJXKVORSA-N 1 0 378.296 2.764 20 0 GFADRO COC[C@@H]([NH2+]CCC(=O)Nc1ccccc1Br)[C@H]1CCCOC1 ZINC000886912643 663124752 /nfs/dbraw/zinc/12/47/52/663124752.db2.gz ZLFGBMSKBMBYLI-XJKSGUPXSA-N 1 0 385.302 2.809 20 0 GFADRO COC[C@@H]([NH2+]Cc1ccc(C(=O)OC)cc1Br)[C@@H]1CCCOC1 ZINC000886916315 663125003 /nfs/dbraw/zinc/12/50/03/663125003.db2.gz RZGBPSGDBSHEBK-GDBMZVCRSA-N 1 0 386.286 2.767 20 0 GFADRO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)Nc1cc(Br)c2ccccc2c1 ZINC000886983895 663127356 /nfs/dbraw/zinc/12/73/56/663127356.db2.gz KWVOFTYNXVHBLP-WDEREUQCSA-N 1 0 378.270 2.783 20 0 GFADRO CCCOc1ccc(Br)cc1C[NH2+]C1(C(=O)NC)CCOCC1 ZINC000887089824 663132739 /nfs/dbraw/zinc/13/27/39/663132739.db2.gz VJIDFZJVPOSWHE-UHFFFAOYSA-N 1 0 385.302 2.623 20 0 GFADRO C[N@H+](CN1C(=O)C(=O)N(c2ccc(Br)cc2)C1=O)C1CCCC1 ZINC000887545029 663152192 /nfs/dbraw/zinc/15/21/92/663152192.db2.gz AEFYRGGSUJPVEH-UHFFFAOYSA-N 1 0 380.242 2.576 20 0 GFADRO C[N@@H+]1C[C@@H]2CN(C(=O)C[C@H]3Sc4ccc(Cl)cc4NC3=O)C[C@]2(C)C1 ZINC000887936372 663170988 /nfs/dbraw/zinc/17/09/88/663170988.db2.gz HCATWMDYYPXMJJ-MZKGEVEHSA-N 1 0 379.913 2.553 20 0 GFADRO CN1CCN(C(=O)c2cc(Br)ccc2C2CC2)CC[N@H+](C)CC1 ZINC000888977850 663227933 /nfs/dbraw/zinc/22/79/33/663227933.db2.gz QSPOIAANHKENTK-UHFFFAOYSA-N 1 0 380.330 2.646 20 0 GFADRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)COCCc1ccc(Br)cc1 ZINC000889158791 663233918 /nfs/dbraw/zinc/23/39/18/663233918.db2.gz SMUIUAXBUUZBPX-YOEHRIQHSA-N 1 0 383.330 2.807 20 0 GFADRO Cc1ccc(CN(CC[NH+](C)C)C(=O)c2nn3c(c2Br)CCC3)o1 ZINC000889500853 663246729 /nfs/dbraw/zinc/24/67/29/663246729.db2.gz NNZODXDRNYUHHM-UHFFFAOYSA-N 1 0 395.301 2.697 20 0 GFADRO C[N@@H+]1CCC[C@@H](c2cccc(C(=O)NCc3ncc(Br)cn3)c2)C1 ZINC000889713776 663257937 /nfs/dbraw/zinc/25/79/37/663257937.db2.gz ZBOFBKGKAIBJCW-OAHLLOKOSA-N 1 0 389.297 2.978 20 0 GFADRO Cc1c(Br)ccc(F)c1C(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000889738641 663261714 /nfs/dbraw/zinc/26/17/14/663261714.db2.gz ABSZOKRCMZCTAA-GJZGRUSLSA-N 1 0 385.277 2.568 20 0 GFADRO CCc1sc(C(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)cc1Br ZINC000889751035 663262701 /nfs/dbraw/zinc/26/27/01/663262701.db2.gz PGRLYGLARMLOHJ-QWHCGFSZSA-N 1 0 387.343 2.744 20 0 GFADRO Cc1ccc(Br)c(C)c1C(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000889750948 663262802 /nfs/dbraw/zinc/26/28/02/663262802.db2.gz OUAZYZWSKRFZJI-JKSUJKDBSA-N 1 0 381.314 2.737 20 0 GFADRO O=C(c1cc(Cl)cc(Br)c1)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000889762469 663264526 /nfs/dbraw/zinc/26/45/26/663264526.db2.gz JZOWKLQNFHWYFL-CABCVRRESA-N 1 0 387.705 2.774 20 0 GFADRO O=C(CCc1cc(Br)cs1)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000889770883 663265797 /nfs/dbraw/zinc/26/57/97/663265797.db2.gz WHRMRIPWQNIKAC-LSDHHAIUSA-N 1 0 387.343 2.501 20 0 GFADRO O=C(N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO)C1(c2ccc(Br)cc2)CC1 ZINC000889776278 663266052 /nfs/dbraw/zinc/26/60/52/663266052.db2.gz RAUNWNJZOYIPKL-IAGOWNOFSA-N 1 0 393.325 2.538 20 0 GFADRO O=C(NCC1CC[NH+](C2CC2)CC1)C(=O)Nc1cccc(F)c1Br ZINC000890232188 663291701 /nfs/dbraw/zinc/29/17/01/663291701.db2.gz GFXOXAGBOCTOTF-UHFFFAOYSA-N 1 0 398.276 2.517 20 0 GFADRO O=C(Nc1cccc(F)c1Br)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000890363700 663297484 /nfs/dbraw/zinc/29/74/84/663297484.db2.gz RPBZYVOMPGIPGY-JSGCOSHPSA-N 1 0 398.276 2.660 20 0 GFADRO Cc1csc([C@](O)(CC(=O)N(C)CC(C)(C)C[NH+](C)C)C(F)(F)F)n1 ZINC000890883845 663315787 /nfs/dbraw/zinc/31/57/87/663315787.db2.gz QALPQTVBNZWREU-OAHLLOKOSA-N 1 0 381.464 2.638 20 0 GFADRO O=C(NCCc1ccc(Br)s1)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000891333714 663336654 /nfs/dbraw/zinc/33/66/54/663336654.db2.gz UUVYMOIUKKIJJE-VIFPVBQESA-N 1 0 382.274 2.597 20 0 GFADRO O=C(NCC(F)(F)C1(O)CCCCC1)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000891353838 663337065 /nfs/dbraw/zinc/33/70/65/663337065.db2.gz KDKQRQGEQUCBHY-OAHLLOKOSA-N 1 0 376.513 2.651 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)NCc2ccc(F)cc2Br)C[C@@H]1C(F)(F)F ZINC000891412742 663338947 /nfs/dbraw/zinc/33/89/47/663338947.db2.gz QKTXZJHYDSXAPY-KOLCDFICSA-N 1 0 398.198 2.867 20 0 GFADRO [NH3+]Cc1nc2c(s1)CCN(C(=O)N[C@H]1CCOc3c(Cl)cccc31)C2 ZINC000891419099 663339139 /nfs/dbraw/zinc/33/91/39/663339139.db2.gz UMLHVTLMMVKHGY-LBPRGKRZSA-N 1 0 378.885 2.847 20 0 GFADRO Oc1cc(Br)cnc1C[N@@H+]1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000891531460 663342487 /nfs/dbraw/zinc/34/24/87/663342487.db2.gz JCOBGQHKOBQVPC-GFCCVEGCSA-N 1 0 388.269 2.972 20 0 GFADRO CC(C)(C[NH+]1CCC(C(=O)NCCO)CC1)c1ccc(Br)cc1 ZINC000891613188 663345393 /nfs/dbraw/zinc/34/53/93/663345393.db2.gz CYKOMOGOXYRDGN-UHFFFAOYSA-N 1 0 383.330 2.547 20 0 GFADRO CC[N@H+](C[C@]1(C)CCCN(C(=O)OC(C)(C)C)C1)[C@@H](C)CS(C)(=O)=O ZINC000892041030 663360259 /nfs/dbraw/zinc/36/02/59/663360259.db2.gz FCGWVGJTNXFFAU-YJBOKZPZSA-N 1 0 376.563 2.779 20 0 GFADRO C[C@H]([NH3+])[C@H](C)NC(=O)N1CC2(CCOCC2)c2ccc(Br)cc21 ZINC000892141237 663363282 /nfs/dbraw/zinc/36/32/82/663363282.db2.gz HQPGAQBWMCGUCI-RYUDHWBXSA-N 1 0 382.302 2.763 20 0 GFADRO [NH3+]CC[C@@H](NC(=O)NCc1cc2cc(Br)ccc2o1)C(F)F ZINC000892150054 663363504 /nfs/dbraw/zinc/36/35/04/663363504.db2.gz HIRNCCLYPHRSSA-LLVKDONJSA-N 1 0 376.201 2.977 20 0 GFADRO CN(C[C@@H](O)COc1cc(Cl)cc(Cl)c1)C(=O)NCCC1(C[NH3+])CC1 ZINC000892221466 663366277 /nfs/dbraw/zinc/36/62/77/663366277.db2.gz XNYHUWODNDFYDG-CQSZACIVSA-N 1 0 390.311 2.504 20 0 GFADRO C[C@H]1CCC[C@](CNC(=O)NCc2ncc(Br)cn2)([NH+](C)C)C1 ZINC000892238022 663366788 /nfs/dbraw/zinc/36/67/88/663366788.db2.gz VNGIEESPZQYABZ-LRDDRELGSA-N 1 0 384.322 2.549 20 0 GFADRO O=C(N[C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000892321200 663368939 /nfs/dbraw/zinc/36/89/39/663368939.db2.gz ANCLJNHHGWXALI-FYNNLBNCSA-N 1 0 376.298 2.623 20 0 GFADRO OC1CC[NH+](Cc2ccc(CNc3ccc(Br)nn3)cc2)CC1 ZINC000892339323 663369992 /nfs/dbraw/zinc/36/99/92/663369992.db2.gz DYEJTVFXGQCAIQ-UHFFFAOYSA-N 1 0 377.286 2.808 20 0 GFADRO [NH3+][C@H]1C[C@@H](CNC(=O)N2CCC(Oc3cccc(Br)c3)CC2)C1 ZINC000892556210 663377236 /nfs/dbraw/zinc/37/72/36/663377236.db2.gz UXBVLVZXUOFTCG-XBXGTLAGSA-N 1 0 382.302 2.739 20 0 GFADRO Cn1nc2cc(Br)ccc2c1C(=O)N[C@@]1(C)C[NH+]2CCC1CC2 ZINC000892766360 663384129 /nfs/dbraw/zinc/38/41/29/663384129.db2.gz KAMPGORZMYJRTP-KRWDZBQOSA-N 1 0 377.286 2.550 20 0 GFADRO O=C(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)N1Cc2ccc(Br)cc2C1 ZINC000892765855 663384143 /nfs/dbraw/zinc/38/41/43/663384143.db2.gz HMXZERKYWJESIR-INIZCTEOSA-N 1 0 394.313 2.633 20 0 GFADRO C[C@]1(NC(=O)c2cc(=O)c3cc(Br)ccc3o2)C[NH+]2CCC1CC2 ZINC000892766654 663384207 /nfs/dbraw/zinc/38/42/07/663384207.db2.gz MKEIBHZXLGEDTA-SFHVURJKSA-N 1 0 391.265 2.770 20 0 GFADRO Brc1cnc(N2CC[NH+](C[C@H]3CCOC3)CC2)c2ncccc12 ZINC000892835481 663386281 /nfs/dbraw/zinc/38/62/81/663386281.db2.gz BHICGQDEUQHISD-CYBMUJFWSA-N 1 0 377.286 2.551 20 0 GFADRO CS(=O)(=O)N1CCC(C[NH2+]Cc2cc(Cl)cc(Br)c2)CC1 ZINC000892850538 663386686 /nfs/dbraw/zinc/38/66/86/663386686.db2.gz HIDAQQJTRANQTQ-UHFFFAOYSA-N 1 0 395.750 2.864 20 0 GFADRO C[C@@H]([NH2+]CC1CCN(Cc2ccccc2Cl)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000892907024 663389202 /nfs/dbraw/zinc/38/92/02/663389202.db2.gz WGDJSBXQMCHQNW-QAPCUYQASA-N 1 0 384.973 2.965 20 0 GFADRO C[C@H]1CCC[C@@H](CC[NH+](C)C)N1C(=O)c1cnn2cc(Br)cnc12 ZINC000893013480 663393065 /nfs/dbraw/zinc/39/30/65/663393065.db2.gz LBQZNKXVFPYCKT-JSGCOSHPSA-N 1 0 394.317 2.827 20 0 GFADRO COCc1nc2n(n1)C[C@H]([NH2+]Cc1cc(Cl)cc(Br)c1)CC2 ZINC000893133735 663397731 /nfs/dbraw/zinc/39/77/31/663397731.db2.gz CAOAPWKQAWRAPO-CYBMUJFWSA-N 1 0 385.693 2.945 20 0 GFADRO CC(C)(C[NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1)c1ccc(Br)cc1 ZINC000893223603 663402537 /nfs/dbraw/zinc/40/25/37/663402537.db2.gz JKTZUPLPSNTARO-ZDUSSCGKSA-N 1 0 389.359 2.598 20 0 GFADRO C[C@H]([NH2+][C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000893398252 663409526 /nfs/dbraw/zinc/40/95/26/663409526.db2.gz INEFQKKLPFCKOL-XQQFMLRXSA-N 1 0 377.337 2.985 20 0 GFADRO C[C@]1(Br)C[C@H]1C[NH2+]Cc1ccc(N2CCCS2(=O)=O)c(F)c1 ZINC000893679807 663419945 /nfs/dbraw/zinc/41/99/45/663419945.db2.gz BHVMUPWUANUGFQ-WFASDCNBSA-N 1 0 391.306 2.629 20 0 GFADRO OCC[C@@]1([NH2+]Cc2cc(Br)ccc2Br)CCOC1 ZINC000894072897 663440957 /nfs/dbraw/zinc/44/09/57/663440957.db2.gz XVBZZNCNLWKMGS-CYBMUJFWSA-N 1 0 379.092 2.843 20 0 GFADRO COc1ccc(CN2CC[C@H]([NH2+]C[C@@H]3C[C@]3(C)Br)C2=O)c(OC)c1 ZINC000894445435 663462084 /nfs/dbraw/zinc/46/20/84/663462084.db2.gz LQQLOPVENIULMF-YEWWUXTCSA-N 1 0 397.313 2.568 20 0 GFADRO C[C@@H](NCc1cn(C)nc1I)[C@@H](c1ccccc1)[NH+](C)C ZINC000894480048 663464439 /nfs/dbraw/zinc/46/44/39/663464439.db2.gz MSWBSSRBAWCRIE-DOMZBBRYSA-N 1 0 398.292 2.806 20 0 GFADRO O=C(NCCCCc1ccc(Cl)s1)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000894682114 663475889 /nfs/dbraw/zinc/47/58/89/663475889.db2.gz UUTFVDNRGLWDET-CVEARBPZSA-N 1 0 385.961 2.965 20 0 GFADRO Cn1cc(C[NH2+]C[C@@H](O)c2ccc(Cl)cc2)c(I)n1 ZINC000894849837 663485076 /nfs/dbraw/zinc/48/50/76/663485076.db2.gz HSIKWNYWNAJZMU-GFCCVEGCSA-N 1 0 391.640 2.501 20 0 GFADRO C[C@@H](NCc1nc(Br)nn1C)c1ccc(-n2cccn2)c(F)c1 ZINC000894859985 663485357 /nfs/dbraw/zinc/48/53/57/663485357.db2.gz RALBLVJVUGLGLP-SNVBAGLBSA-N 1 0 379.237 2.753 20 0 GFADRO CO[C@](C)(C[NH2+]Cc1c(I)cnn1C)c1ccccc1 ZINC000894899602 663487404 /nfs/dbraw/zinc/48/74/04/663487404.db2.gz YTBDCAMVIXUGPD-OAHLLOKOSA-N 1 0 385.249 2.676 20 0 GFADRO C[C@@H]([NH2+]Cc1ncc(Br)cc1O)c1ccc(N2CCNC2=O)cc1 ZINC000895101158 663499760 /nfs/dbraw/zinc/49/97/60/663499760.db2.gz ZXQCNIOOHVDAFX-LLVKDONJSA-N 1 0 391.269 2.930 20 0 GFADRO CC[C@H](C[NH2+]Cc1c(Br)cncc1Br)C(=O)OC ZINC000895127414 663500307 /nfs/dbraw/zinc/50/03/07/663500307.db2.gz HWWZZRSPWHZFGU-MRVPVSSYSA-N 1 0 380.080 2.895 20 0 GFADRO C[C@@H](Nc1ncc(Br)cc1C(F)(F)F)[C@H]1C[N@H+](C)CCN1C ZINC000895249606 663505265 /nfs/dbraw/zinc/50/52/65/663505265.db2.gz SOYQNHAFIVDSBF-BXKDBHETSA-N 1 0 381.240 2.909 20 0 GFADRO Cn1ncc(I)c1C[NH2+][C@@H]1[C@H]2Cc3cc(F)ccc3[C@@H]12 ZINC000895345446 663509402 /nfs/dbraw/zinc/50/94/02/663509402.db2.gz UDUADFSNPYBYPB-NILFDRSVSA-N 1 0 383.208 2.592 20 0 GFADRO O=S(=O)(CC[NH2+]CCc1cccc(OC(F)(F)F)c1)CC(F)(F)F ZINC000895355416 663509757 /nfs/dbraw/zinc/50/97/57/663509757.db2.gz KNOBVQHJVQYFDW-UHFFFAOYSA-N 1 0 379.322 2.694 20 0 GFADRO Cn1nc(Br)nc1C[NH2+][C@@H]1[C@@H]2Cc3ccc(Br)cc3[C@@H]21 ZINC000895462095 663515638 /nfs/dbraw/zinc/51/56/38/663515638.db2.gz JGORSCPAOJAYPW-KGYLQXTDSA-N 1 0 398.102 2.768 20 0 GFADRO O=C1NCC2(CCOCC2)[C@@H]1[NH2+]C1CC(c2ccc(Br)cc2F)C1 ZINC000895768446 663526662 /nfs/dbraw/zinc/52/66/62/663526662.db2.gz HKEYUPKSRGTWRE-IJGSQOGDSA-N 1 0 397.288 2.719 20 0 GFADRO COC(=O)[C@]12C[C@H]1C[C@H]([NH2+]Cc1ccc(Br)cc1NC(C)=O)C2 ZINC000895830914 663529142 /nfs/dbraw/zinc/52/91/42/663529142.db2.gz LYOWDEPDIXMGBM-IFIJOSMWSA-N 1 0 381.270 2.839 20 0 GFADRO Cn1cc(C(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)c(Br)n1 ZINC000895940428 663534400 /nfs/dbraw/zinc/53/44/00/663534400.db2.gz NUUPEFNMVVRXRS-OAHLLOKOSA-N 1 0 391.313 2.825 20 0 GFADRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)c1cn(C)nc1Br ZINC000896121831 663541589 /nfs/dbraw/zinc/54/15/89/663541589.db2.gz HTSYZWWRQNQNCC-UHFFFAOYSA-N 1 0 379.302 2.907 20 0 GFADRO CCO[P@](C)(=O)CC[C@H](C)[NH2+]Cc1ccc(CS(=O)(=O)N(C)C)cc1 ZINC000896276411 663548689 /nfs/dbraw/zinc/54/86/89/663548689.db2.gz LPYSVMSARWBWBL-OWJWWREXSA-N 1 0 390.486 2.891 20 0 GFADRO C[C@@H](CCCOc1ccccc1C(N)=O)[NH2+]Cc1cn(C)nc1Br ZINC000896282043 663549121 /nfs/dbraw/zinc/54/91/21/663549121.db2.gz NFJZRWXMEBRWSY-LBPRGKRZSA-N 1 0 395.301 2.619 20 0 GFADRO Brc1c(C[NH2+][C@@H]2CCCN3CCSC[C@H]23)nc2ccccn21 ZINC000896432919 663557333 /nfs/dbraw/zinc/55/73/33/663557333.db2.gz SSMMMGRPCUPXSA-TZMCWYRMSA-N 1 0 381.343 2.766 20 0 GFADRO CC(C)Oc1cc(C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCN2C)ccc1Br ZINC000896531595 663561765 /nfs/dbraw/zinc/56/17/65/663561765.db2.gz GQBHVFKTYYSGII-CZUORRHYSA-N 1 0 398.345 2.600 20 0 GFADRO C[C@@H](NC(=O)[C@H](C)Sc1nc2ccccc2s1)[C@H]1C[N@H+](C)CCN1C ZINC000896551532 663563321 /nfs/dbraw/zinc/56/33/21/663563321.db2.gz DUAXXMGMQCVKMD-VNHYZAJKSA-N 1 0 378.567 2.527 20 0 GFADRO C[C@H](NC(=O)CCCc1ccc(Br)s1)[C@@H]1C[N@H+](C)CCN1C ZINC000896575906 663565285 /nfs/dbraw/zinc/56/52/85/663565285.db2.gz CYTLLZYADMSLSI-JSGCOSHPSA-N 1 0 388.375 2.584 20 0 GFADRO C[N@@H+]1C[C@H]2CCN(C(=O)N[C@@H]3CCOc4ccc(Br)cc43)[C@H]2C1 ZINC000896619006 663568343 /nfs/dbraw/zinc/56/83/43/663568343.db2.gz SKBBAFHKSQLPRW-DFBGVHRSSA-N 1 0 380.286 2.618 20 0 GFADRO C[NH+](C)CC[C@H](NCc1cnn2cc(Br)cnc12)c1cccnc1 ZINC000896717731 663573629 /nfs/dbraw/zinc/57/36/29/663573629.db2.gz WOTQPCKAVOAWRV-INIZCTEOSA-N 1 0 389.301 2.669 20 0 GFADRO Cc1cc(C)c(CC(=O)NCCC[NH+]2CCC(O)CC2)c(C)c1Br ZINC000896932258 663582138 /nfs/dbraw/zinc/58/21/38/663582138.db2.gz DSJGCKIRXGWBKK-UHFFFAOYSA-N 1 0 397.357 2.880 20 0 GFADRO OCC[N@@H+]1CCC[C@@H]2[C@H]1CCN2c1nnc(Cc2ccc(Cl)cc2)s1 ZINC000897222635 663595442 /nfs/dbraw/zinc/59/54/42/663595442.db2.gz WKLGSTXILFMCPP-HZPDHXFCSA-N 1 0 378.929 2.818 20 0 GFADRO COC(=O)c1ccc(CNC[C@@H]2CC[N@@H+]2C2CCOCC2)c(Br)c1 ZINC000897227188 663596092 /nfs/dbraw/zinc/59/60/92/663596092.db2.gz BZPIWDANTBIHQP-INIZCTEOSA-N 1 0 397.313 2.579 20 0 GFADRO CC(C)(C)OC(=O)NOCCC[NH2+]Cc1c(F)cncc1Br ZINC000897425694 663605287 /nfs/dbraw/zinc/60/52/87/663605287.db2.gz BXGTYQDKUGZSNR-UHFFFAOYSA-N 1 0 378.242 2.919 20 0 GFADRO Cn1ncc(I)c1C[NH2+]CC[C@@H]1CCC(C)(C)CO1 ZINC000897474535 663606909 /nfs/dbraw/zinc/60/69/09/663606909.db2.gz VEQANYBNCRKCHL-NSHDSACASA-N 1 0 377.270 2.710 20 0 GFADRO CSc1ccc(Br)cc1CC[NH2+]C1CCS(=O)(=O)CC1 ZINC000897514408 663608152 /nfs/dbraw/zinc/60/81/52/663608152.db2.gz PPDAMFZZQYDKRI-UHFFFAOYSA-N 1 0 378.357 2.880 20 0 GFADRO O=C(NCc1cnc(-c2ccc(Cl)cc2)s1)C1C[NH+]([C@H]2CCOC2)C1 ZINC000897697956 663616464 /nfs/dbraw/zinc/61/64/64/663616464.db2.gz IHIGKHBEVIIQEA-HNNXBMFYSA-N 1 0 377.897 2.800 20 0 GFADRO CSc1ccc([C@H](CNC(=O)c2cn(C)nc2Br)[NH+](C)C)cc1 ZINC000897861078 663622973 /nfs/dbraw/zinc/62/29/73/663622973.db2.gz CFCRLXGIMBJMGX-AWEZNQCLSA-N 1 0 397.342 2.937 20 0 GFADRO CO[C@H]1C[C@H]2C[C@@H]([NH2+][C@@H]3Cc4cc(Br)cnc4NC3=O)C[C@H]2C1 ZINC000897977362 663627760 /nfs/dbraw/zinc/62/77/60/663627760.db2.gz DYZJIOBYCHOXHQ-AVFNUOGKSA-N 1 0 380.286 2.501 20 0 GFADRO COC(=O)CC(C)(C)C[C@H](C)[NH2+][C@@H]1Cc2cc(Br)cnc2NC1=O ZINC000897977989 663628410 /nfs/dbraw/zinc/62/84/10/663628410.db2.gz JQSVRXBFERDUAQ-GXFFZTMASA-N 1 0 398.301 2.665 20 0 GFADRO COCCO[C@]12CCC[C@@]1([NH2+]Cc1cncc(Br)c1C)CCO2 ZINC000897999934 663629458 /nfs/dbraw/zinc/62/94/58/663629458.db2.gz WKNZHITTYHPDKY-IAGOWNOFSA-N 1 0 385.302 2.944 20 0 GFADRO O=C(c1ccc(F)cc1Br)N1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000898122407 663634877 /nfs/dbraw/zinc/63/48/77/663634877.db2.gz JVQABPMNAUCYDH-UHFFFAOYSA-N 1 0 385.277 2.555 20 0 GFADRO O=c1cc(N2CC[C@H]([NH2+]Cc3cccc(Cl)c3Br)C2)nc[nH]1 ZINC000898149517 663635475 /nfs/dbraw/zinc/63/54/75/663635475.db2.gz CPUPOUXEZIZUCD-NSHDSACASA-N 1 0 383.677 2.967 20 0 GFADRO O=c1cc(N2CC[C@H]([NH2+][C@H]3CCc4cccc(Br)c4C3)C2)nc[nH]1 ZINC000898152911 663635942 /nfs/dbraw/zinc/63/59/42/663635942.db2.gz PZEADOIDVHVMGD-KBPBESRZSA-N 1 0 389.297 2.671 20 0 GFADRO O=c1cc(N2CC[C@H]([NH2+]Cc3c(Cl)nc4cc(Cl)ccn43)C2)nc[nH]1 ZINC000898152733 663636052 /nfs/dbraw/zinc/63/60/52/663636052.db2.gz NRRSFZNTQLHAJG-NSHDSACASA-N 1 0 379.251 2.505 20 0 GFADRO C[C@@H]([NH2+]Cc1ccc(S(N)(=O)=O)c(Cl)c1)c1cnn(CC2CCC2)c1 ZINC000898181193 663637535 /nfs/dbraw/zinc/63/75/35/663637535.db2.gz CJZDVXPFAGPZKE-GFCCVEGCSA-N 1 0 382.917 2.835 20 0 GFADRO O=c1ccn(CCC[NH2+]Cc2cc3c(cc(F)cc3Br)[nH]2)c(=O)[nH]1 ZINC000898325233 663643804 /nfs/dbraw/zinc/64/38/04/663643804.db2.gz DQLVTPWJVXGURD-UHFFFAOYSA-N 1 0 395.232 2.512 20 0 GFADRO CC[C@@H]1C[C@H]([NH2+][C@@H](CO)c2ccccc2I)CCO1 ZINC000898511212 663653224 /nfs/dbraw/zinc/65/32/24/663653224.db2.gz AUNNJWUAXNVGFX-JMSVASOKSA-N 1 0 375.250 2.872 20 0 GFADRO C[C@@H]1CC2(CC([NH2+][C@H](CO)c3ccccc3I)C2)CO1 ZINC000898511549 663653568 /nfs/dbraw/zinc/65/35/68/663653568.db2.gz DUAKZSVWWMRBII-NPICMGTBSA-N 1 0 387.261 2.872 20 0 GFADRO CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)NCCc2ccc(Cl)c(Cl)c2)C1 ZINC000898660273 663659125 /nfs/dbraw/zinc/65/91/25/663659125.db2.gz RUPOGBDWGONSHZ-AWEZNQCLSA-N 1 0 386.323 2.500 20 0 GFADRO Brc1cnc2n1C[C@H]([NH2+]C1CCN(Cc3ccncc3)CC1)CC2 ZINC000898724634 663661332 /nfs/dbraw/zinc/66/13/32/663661332.db2.gz PBBKYUDAHFQHFN-MRXNPFEDSA-N 1 0 390.329 2.610 20 0 GFADRO O=C(C1C[NH+](C2CCOCC2)C1)N1CC[C@@H]1c1ccc(Br)cc1 ZINC000898982852 663671622 /nfs/dbraw/zinc/67/16/22/663671622.db2.gz JGIVGQJXIDBHHV-QGZVFWFLSA-N 1 0 379.298 2.833 20 0 GFADRO O=C(C1C[NH+](C2CCOCC2)C1)N1CC[C@H]1c1ccc(Br)cc1 ZINC000898982851 663671644 /nfs/dbraw/zinc/67/16/44/663671644.db2.gz JGIVGQJXIDBHHV-KRWDZBQOSA-N 1 0 379.298 2.833 20 0 GFADRO COCC[N@@H+]1CC[C@H](NC(=S)Nc2ccccc2OCC(F)(F)F)C1 ZINC000899469319 663689671 /nfs/dbraw/zinc/68/96/71/663689671.db2.gz QOPWXOWMGGYGPP-LBPRGKRZSA-N 1 0 377.432 2.635 20 0 GFADRO FC(F)(F)COc1ccccc1NC(=S)NCC[N@@H+]1CCCOCC1 ZINC000899510021 663692000 /nfs/dbraw/zinc/69/20/00/663692000.db2.gz MAFHJKWPRYEUGT-UHFFFAOYSA-N 1 0 377.432 2.636 20 0 GFADRO O=C1Nc2ccc(Br)cc2[C@@H]1Cc1nc(CC2CC[NH2+]CC2)no1 ZINC000900017594 663706495 /nfs/dbraw/zinc/70/64/95/663706495.db2.gz NLUXLYKVZCKWDV-ZDUSSCGKSA-N 1 0 391.269 2.653 20 0 GFADRO COc1c(Br)cc(Cl)cc1NC(=O)C[C@@]1(O)CCC[N@H+](C)C1 ZINC000900061028 663707368 /nfs/dbraw/zinc/70/73/68/663707368.db2.gz OCSRDHIPSWYWSY-HNNXBMFYSA-N 1 0 391.693 2.896 20 0 GFADRO CC(C)[NH+]1CCN(CCCC(=O)NCc2sccc2Br)CC1 ZINC000900431080 663714434 /nfs/dbraw/zinc/71/44/34/663714434.db2.gz GVNGUYKLVRISAW-UHFFFAOYSA-N 1 0 388.375 2.933 20 0 GFADRO COCC[C@H]1C[NH2+]CCN1C(=O)Nc1ccc(Br)cc1Cl ZINC000900483363 663715354 /nfs/dbraw/zinc/71/53/54/663715354.db2.gz DUFNGDITEFRUNT-NSHDSACASA-N 1 0 376.682 2.945 20 0 GFADRO C[NH+]1CCC(NCc2cn(Cc3cc(Cl)cc(Br)c3)nn2)CC1 ZINC000900563192 663717217 /nfs/dbraw/zinc/71/72/17/663717217.db2.gz ZFVMAKUKCHAQMS-UHFFFAOYSA-N 1 0 398.736 2.926 20 0 GFADRO Cc1cc(Cn2cc(CC[NH+](C)C)nn2)c(C)cc1I ZINC000900604306 663717830 /nfs/dbraw/zinc/71/78/30/663717830.db2.gz LRQSILWHGUHVOE-UHFFFAOYSA-N 1 0 384.265 2.652 20 0 GFADRO CC(C)[NH+]1CCN(CCC(=O)NCc2ccc(Br)cc2F)CC1 ZINC000900664435 663718966 /nfs/dbraw/zinc/71/89/66/663718966.db2.gz ZJVFIJWMSOPNOC-UHFFFAOYSA-N 1 0 386.309 2.621 20 0 GFADRO Cc1cc(Br)cc(Cl)c1C(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCN1C ZINC000900801427 663721868 /nfs/dbraw/zinc/72/18/68/663721868.db2.gz DDGMDYPBPZSFNW-RISCZKNCSA-N 1 0 388.737 2.775 20 0 GFADRO CC(C)[NH+]1CCN(CCC(=O)NC[C@@H](O)c2ccc(Cl)cc2Cl)CC1 ZINC000901072609 663729967 /nfs/dbraw/zinc/72/99/67/663729967.db2.gz TWPDKEAFKPPMCD-QGZVFWFLSA-N 1 0 388.339 2.559 20 0 GFADRO CC(C)Oc1ccc(Br)cc1NC(=O)C1C[NH+]([C@H]2CCOC2)C1 ZINC000901146433 663731210 /nfs/dbraw/zinc/73/12/10/663731210.db2.gz JJZQSWRMWIYNMT-AWEZNQCLSA-N 1 0 383.286 2.896 20 0 GFADRO C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)NCc1ccc(Br)cc1C(F)(F)F ZINC000901264783 663733100 /nfs/dbraw/zinc/73/31/00/663733100.db2.gz BKJCLGBYKBEIFV-RISCZKNCSA-N 1 0 395.219 2.539 20 0 GFADRO NC(=O)[C@@H]([NH2+]C[C@@H]1CCCN1CC(F)(F)F)c1cccc(Br)c1 ZINC000901572286 663738004 /nfs/dbraw/zinc/73/80/04/663738004.db2.gz IZHJKESBRPZHEL-STQMWFEESA-N 1 0 394.235 2.592 20 0 GFADRO CCn1cnc(C[NH2+]C[C@@H](CO)Cc2cc(Br)ccc2OC)c1 ZINC000902583294 663763799 /nfs/dbraw/zinc/76/37/99/663763799.db2.gz AJRSZCSEQWCUJK-ZDUSSCGKSA-N 1 0 382.302 2.615 20 0 GFADRO CCN(CC)S(=O)(=O)c1ccc(C[NH2+][C@H]2CC[C@@H]3[C@H]4OCC[C@H]4[C@@H]32)s1 ZINC000902776269 663767370 /nfs/dbraw/zinc/76/73/70/663767370.db2.gz NIGZFGKUTSINRS-OLEVXBPZSA-N 1 0 384.567 2.682 20 0 GFADRO CN(Cc1ncc(Br)cn1)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000902845385 663768468 /nfs/dbraw/zinc/76/84/68/663768468.db2.gz VQBAVVUGOGXTNK-UHFFFAOYSA-N 1 0 378.274 2.965 20 0 GFADRO CC(C)C[C@H]([NH2+]Cc1c(I)cnn1C)C1CCOCC1 ZINC000903079406 663772553 /nfs/dbraw/zinc/77/25/53/663772553.db2.gz IERYEZDNRZSMKY-AWEZNQCLSA-N 1 0 391.297 2.956 20 0 GFADRO CC(C)(C)NS(=O)(=O)C1(C[NH2+][C@@H]2CC[C@H]3SCCS[C@@H]23)CCC1 ZINC000903189459 663777636 /nfs/dbraw/zinc/77/76/36/663777636.db2.gz XEOPWUFZSMWANJ-MCIONIFRSA-N 1 0 378.629 2.596 20 0 GFADRO O=S(=O)(c1cccc(Br)c1Cl)N1CCC([NH+]2CCC2)CC1 ZINC000903204084 663778429 /nfs/dbraw/zinc/77/84/29/663778429.db2.gz IFHUCLZQVYDPHN-UHFFFAOYSA-N 1 0 393.734 2.961 20 0 GFADRO COc1ccc([C@H](C)[NH2+]CCS(=O)(=O)N=S(C)(C)=O)c2ccccc12 ZINC000903230324 663779683 /nfs/dbraw/zinc/77/96/83/663779683.db2.gz ZQDSAGHBJVTDDI-ZDUSSCGKSA-N 1 0 384.523 2.556 20 0 GFADRO CSc1ccc(Br)cc1CC[NH2+][C@H]1C(=O)NCC12CCOCC2 ZINC000903256853 663780634 /nfs/dbraw/zinc/78/06/34/663780634.db2.gz RIDHONXRPNWRJT-HNNXBMFYSA-N 1 0 399.354 2.598 20 0 GFADRO O=C1Nc2ncc(Br)cc2C[C@@H]1[NH2+][C@@H]1CCN(c2ccccc2)C1 ZINC000903323629 663781742 /nfs/dbraw/zinc/78/17/42/663781742.db2.gz FQQXUSVHJZMCKR-ZBFHGGJFSA-N 1 0 387.281 2.576 20 0 GFADRO CC[C@H](CCC(F)(F)F)[NH2+][C@H]1CCS(=O)(=O)C2(CC(C(=O)OC)C2)C1 ZINC000903450867 663784973 /nfs/dbraw/zinc/78/49/73/663784973.db2.gz AEHWSEJVOFYDOD-ICRTXTNUSA-N 1 0 385.448 2.596 20 0 GFADRO COC(=O)C1CC2(C1)C[C@H]([NH2+][C@H](C)c1ccccc1Cl)CCS2(=O)=O ZINC000903452813 663785180 /nfs/dbraw/zinc/78/51/80/663785180.db2.gz QWRARZNXUMNVLD-CZJPOVKDSA-N 1 0 385.913 2.890 20 0 GFADRO O=S(=O)(N[C@@H]1CC[NH2+]C2(CCC2)C1)c1c[nH]c2cc(Br)ccc21 ZINC000903511568 663786116 /nfs/dbraw/zinc/78/61/16/663786116.db2.gz VUXPXHBZTGQMNH-GFCCVEGCSA-N 1 0 398.326 2.883 20 0 GFADRO [NH3+]C1CC2(C1)CC(NS(=O)(=O)Cc1cccc(Cl)c1Br)C2 ZINC000903517006 663786743 /nfs/dbraw/zinc/78/67/43/663786743.db2.gz CGTHLJTULLEBRH-UHFFFAOYSA-N 1 0 393.734 2.792 20 0 GFADRO C[C@H]1C[C@H](NS(=O)(=O)Cc2cccc(Cl)c2Br)CC[NH2+]1 ZINC000903519371 663786813 /nfs/dbraw/zinc/78/68/13/663786813.db2.gz ZTTNWSMCMIWOTJ-GXSJLCMTSA-N 1 0 381.723 2.662 20 0 GFADRO O=S(=O)(Cc1cccc(Cl)c1Br)N[C@@H]1CCC[NH2+]CC1 ZINC000903519015 663786841 /nfs/dbraw/zinc/78/68/41/663786841.db2.gz VFUUIKBBHWAWDP-LLVKDONJSA-N 1 0 381.723 2.664 20 0 GFADRO CC[C@@H]1c2ccsc2CCN1C(=O)CN1CC[C@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903534358 663787577 /nfs/dbraw/zinc/78/75/77/663787577.db2.gz LGPGFUMZGJRNDZ-BFHYXJOUSA-N 1 0 375.460 2.795 20 0 GFADRO O=S(=O)(/C=C\c1cccc(Br)c1)NC1(C2CC[NH2+]CC2)CC1 ZINC000903556721 663788554 /nfs/dbraw/zinc/78/85/54/663788554.db2.gz GXUKTFNUROICLW-WDZFZDKYSA-N 1 0 385.327 2.871 20 0 GFADRO CCC(=O)c1ccc(Cl)c(S(=O)(=O)N2CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C2)c1 ZINC000903580637 663790280 /nfs/dbraw/zinc/79/02/80/663790280.db2.gz WIQKNJYGTZWSHJ-PWSUYJOCSA-N 1 0 398.834 2.833 20 0 GFADRO [NH3+][C@H]1CN(S(=O)(=O)c2csnc2-c2ccccc2)CC[C@@H]1C(F)(F)F ZINC000903581601 663790476 /nfs/dbraw/zinc/79/04/76/663790476.db2.gz NFLUWVFNOHQMPS-RYUDHWBXSA-N 1 0 391.440 2.710 20 0 GFADRO [NH3+]C[C@@]12CC[C@@H]1CCN2S(=O)(=O)c1c(Cl)cccc1Br ZINC000903587717 663790648 /nfs/dbraw/zinc/79/06/48/663790648.db2.gz AMGAYFQPEMIPMD-RNCFNFMXSA-N 1 0 379.707 2.604 20 0 GFADRO [NH3+]C[C@@H]1Cc2cc(F)ccc2N(S(=O)(=O)c2cc(Cl)cnc2Cl)C1 ZINC000903587829 663790670 /nfs/dbraw/zinc/79/06/70/663790670.db2.gz BQZYKMRDWFBOOI-VIFPVBQESA-N 1 0 390.267 2.854 20 0 GFADRO CN(CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)C1(C[NH3+])CCOCC1 ZINC000903804271 663807282 /nfs/dbraw/zinc/80/72/82/663807282.db2.gz DNGQCPFPPNPZLH-UHFFFAOYSA-N 1 0 379.810 2.737 20 0 GFADRO COc1ccc(Br)cc1CN(C)Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903878189 663809745 /nfs/dbraw/zinc/80/97/45/663809745.db2.gz SGNZKYQXDQFIJD-OAHLLOKOSA-N 1 0 394.317 2.606 20 0 GFADRO FC1(F)CC[NH2+]C[C@H]1CNCc1cn(-c2ccc(Cl)c(Cl)c2)nn1 ZINC000903955912 663813631 /nfs/dbraw/zinc/81/36/31/663813631.db2.gz CAIAVSASYPKXNP-JTQLQIEISA-N 1 0 376.238 2.909 20 0 GFADRO CCS(=O)(=O)c1c(Cl)cccc1CN1CC[C@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000903984339 663815620 /nfs/dbraw/zinc/81/56/20/663815620.db2.gz UJFQKLZNQZSMPX-AAEUAGOBSA-N 1 0 384.851 2.845 20 0 GFADRO Cc1c(-c2nc(C3CC[NH2+]CC3)no2)nnn1-c1ccccc1Br ZINC000904073958 663822525 /nfs/dbraw/zinc/82/25/25/663822525.db2.gz YPDLZTODNSSQFW-UHFFFAOYSA-N 1 0 389.257 2.855 20 0 GFADRO COc1ccc(NC(=O)N2CC[NH2+]CCC23CCOCC3)c(Br)c1 ZINC000904328368 663830522 /nfs/dbraw/zinc/83/05/22/663830522.db2.gz OCRRDZMJPIAESL-UHFFFAOYSA-N 1 0 398.301 2.834 20 0 GFADRO COC(=O)c1cc(NC(=O)N2CCC[C@H]3CC[C@@]32C[NH3+])ccc1Br ZINC000904406590 663833112 /nfs/dbraw/zinc/83/31/12/663833112.db2.gz HNEFVXKZLCBUKO-APPDUMDISA-N 1 0 396.285 2.971 20 0 GFADRO O=C(Nc1ccnn1Cc1cccc(Br)c1)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000904428976 663833815 /nfs/dbraw/zinc/83/38/15/663833815.db2.gz SQVBEFZEYGBSAH-RRFJBIMHSA-N 1 0 390.285 2.708 20 0 GFADRO COC(=O)c1cc(NC(=O)N2CCC[C@@]23CC[NH2+]C3)c(C)cc1Br ZINC000904485302 663835991 /nfs/dbraw/zinc/83/59/91/663835991.db2.gz SFNYCLBNVNGCJN-KRWDZBQOSA-N 1 0 396.285 2.904 20 0 GFADRO Cn1c(Cl)cnc1-c1csc(NC(=O)N2CCC[C@@H]3CC[C@]32C[NH3+])n1 ZINC000904521316 663836582 /nfs/dbraw/zinc/83/65/82/663836582.db2.gz NGZLPVDERMVTQM-HWPZZCPQSA-N 1 0 380.905 2.932 20 0 GFADRO COC[C@H]1C[NH2+]CCN1C(=O)Nc1cc(Cl)c(Br)cc1F ZINC000904527024 663836977 /nfs/dbraw/zinc/83/69/77/663836977.db2.gz JQROPYXFCUWTOM-MRVPVSSYSA-N 1 0 380.645 2.694 20 0 GFADRO Cc1cc(Cc2noc(C[C@@H]([NH3+])Cc3ccc(Br)cc3)n2)no1 ZINC000904607228 663838708 /nfs/dbraw/zinc/83/87/08/663838708.db2.gz NZDBGYOTKMOHOH-ZDUSSCGKSA-N 1 0 377.242 2.832 20 0 GFADRO CCOc1ccccc1[C@@H]([NH3+])Cc1nc(Cn2cc(Br)cn2)no1 ZINC000904618727 663838751 /nfs/dbraw/zinc/83/87/51/663838751.db2.gz SRXRGHIAAQSXBX-ZDUSSCGKSA-N 1 0 392.257 2.718 20 0 GFADRO [NH3+]Cc1ccccc1NC(=O)NC[C@H](CO)Cc1ccccc1Br ZINC000904637887 663839096 /nfs/dbraw/zinc/83/90/96/663839096.db2.gz BZIFTVCCARYLRS-CYBMUJFWSA-N 1 0 392.297 2.881 20 0 GFADRO N[C@@H](Cc1nc(Cc2cccc(F)c2I)no1)C(F)F ZINC000904673303 663840075 /nfs/dbraw/zinc/84/00/75/663840075.db2.gz TVFFWMRSGIDRHW-QMMMGPOBSA-N 1 0 397.138 2.539 20 0 GFADRO C[C@]1(c2nc(-c3ccc4ncc(I)n4c3)no2)CCC[NH2+]1 ZINC000904699350 663841587 /nfs/dbraw/zinc/84/15/87/663841587.db2.gz JGEDAIMFIHDXJI-CQSZACIVSA-N 1 0 395.204 2.588 20 0 GFADRO Cc1c(C(=O)N(C)C2CC[NH+](C)CC2)nnn1-c1ccccc1Br ZINC000905028758 663849960 /nfs/dbraw/zinc/84/99/60/663849960.db2.gz LAGGVCQRQOPPST-UHFFFAOYSA-N 1 0 392.301 2.504 20 0 GFADRO CC(C)(C)NS(=O)(=O)C1([C@H](O)C[NH2+]CCc2ccc(Cl)s2)CCC1 ZINC000905050923 663850727 /nfs/dbraw/zinc/85/07/27/663850727.db2.gz SUOJCDGHHZHKEA-CYBMUJFWSA-N 1 0 394.990 2.535 20 0 GFADRO O=C(C[C@@H](O)C(Cl)(Cl)Cl)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000905068248 663851233 /nfs/dbraw/zinc/85/12/33/663851233.db2.gz ZETPJTSLJZMIFA-CQSZACIVSA-N 1 0 379.715 2.888 20 0 GFADRO COc1cc(C[NH2+]C[C@H](O)CC2(O)CCCC2)cc(Br)c1OC ZINC000905079852 663851583 /nfs/dbraw/zinc/85/15/83/663851583.db2.gz KHGCZOXCABSJRT-CYBMUJFWSA-N 1 0 388.302 2.612 20 0 GFADRO CN(C)C(=O)CCN1CCC([NH2+]C[C@@H](O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000905106211 663853644 /nfs/dbraw/zinc/85/36/44/663853644.db2.gz OGECHJAYQYDWLI-QGZVFWFLSA-N 1 0 388.339 2.559 20 0 GFADRO Cn1ccc(N2CCC[C@@H]([NH2+]C[C@H](O)c3ccc(Cl)c(Cl)c3)C2=O)n1 ZINC000905139944 663854866 /nfs/dbraw/zinc/85/48/66/663854866.db2.gz UQLSXDHEFQFNTK-CABCVRRESA-N 1 0 383.279 2.546 20 0 GFADRO C[C@H]1C[C@@H]([NH2+]C[C@H](O)c2ccc(Cl)c(Cl)c2)C(=O)N1c1cnn(C)c1 ZINC000905144454 663855229 /nfs/dbraw/zinc/85/52/29/663855229.db2.gz JFKWGVYASWZELO-JQAFLVLXSA-N 1 0 383.279 2.544 20 0 GFADRO O[C@@H](C[NH2+]CCOc1c(Cl)cc(Cl)cc1Cl)C[C@@]1(O)CCOC1 ZINC000905151410 663855497 /nfs/dbraw/zinc/85/54/97/663855497.db2.gz ASKSOBKCNRWNQP-ABAIWWIYSA-N 1 0 384.687 2.518 20 0 GFADRO O[C@H](C[NH2+]Cc1cc(Cl)cc(Cl)c1OC(F)F)C[C@]1(O)CCOC1 ZINC000905162786 663855807 /nfs/dbraw/zinc/85/58/07/663855807.db2.gz XMRFJUUNMCITQA-XHDPSFHLSA-N 1 0 386.222 2.587 20 0 GFADRO CCS(=O)(=O)c1ccc(C[NH2+]C[C@H](O)CC[C@H](O)c2ccccc2)s1 ZINC000905241792 663861988 /nfs/dbraw/zinc/86/19/88/663861988.db2.gz GRWRNAMDJNJHKB-WBVHZDCISA-N 1 0 383.535 2.506 20 0 GFADRO CC(C)N(Cc1cccc(Br)c1)S(=O)(=O)CC1CC[NH2+]CC1 ZINC000905335422 663866203 /nfs/dbraw/zinc/86/62/03/663866203.db2.gz OOGUTPITBMFPND-UHFFFAOYSA-N 1 0 389.359 2.989 20 0 GFADRO O=S(=O)(CC1CC[NH2+]CC1)N[C@@H](c1cccc(Cl)c1)c1ccccn1 ZINC000905344278 663866465 /nfs/dbraw/zinc/86/64/65/663866465.db2.gz VWOSXKDETUQMDG-SFHVURJKSA-N 1 0 379.913 2.743 20 0 GFADRO C[C@](O)(C[NH2+][C@H]1c2sccc2OC(C)(C)[C@@H]1O)C(F)(F)C(F)(F)F ZINC000905370749 663868340 /nfs/dbraw/zinc/86/83/40/663868340.db2.gz GZHYCVLSDHDNAP-XRNSZHNASA-N 1 0 375.359 2.859 20 0 GFADRO O[C@@H](C[NH2+]Cc1ccc2ccc(Br)cc2c1)C1(O)CCOCC1 ZINC000905419249 663870521 /nfs/dbraw/zinc/87/05/21/663870521.db2.gz UHNBNWOISVIDLK-KRWDZBQOSA-N 1 0 380.282 2.594 20 0 GFADRO CO[C@H]1C[C@H](C[NH2+]C[C@@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000905423218 663870855 /nfs/dbraw/zinc/87/08/55/663870855.db2.gz MWTREWRBCJNLGO-RAIGVLPGSA-N 1 0 378.694 2.857 20 0 GFADRO Cn1cc(C[NH2+]C[C@@H](O)COCc2ccc(Cl)cc2)c(Br)n1 ZINC000905519437 663875739 /nfs/dbraw/zinc/87/57/39/663875739.db2.gz CLDOFYCOTITOCN-CQSZACIVSA-N 1 0 388.693 2.503 20 0 GFADRO O[C@H](C[NH2+]CC1(C2(O)CCOCC2)CC1)c1ccc(F)c(Br)c1 ZINC000905550029 663878067 /nfs/dbraw/zinc/87/80/67/663878067.db2.gz CMMCHSKKEIBJHL-OAHLLOKOSA-N 1 0 388.277 2.533 20 0 GFADRO O=C(CC[NH2+]C[C@@H]1CCN1C1CCOCC1)Nc1ccc(Br)cc1 ZINC000905617426 663881651 /nfs/dbraw/zinc/88/16/51/663881651.db2.gz CSYDDMXMPVEHCO-KRWDZBQOSA-N 1 0 396.329 2.621 20 0 GFADRO COC(=O)[C@@H]1C[C@@H]2C[C@H]([NH2+]C[C@@H](O)COc3ccc(Cl)c(Cl)c3)[C@@H]2C1 ZINC000905655763 663884241 /nfs/dbraw/zinc/88/42/41/663884241.db2.gz ZSNMRXRBFGYNGS-ZEKQUHOYSA-N 1 0 388.291 2.910 20 0 GFADRO C[NH+]1CCC(NC(=S)N2CCCC[C@@H]2c2ncc(Br)cn2)CC1 ZINC000905663622 663884547 /nfs/dbraw/zinc/88/45/47/663884547.db2.gz WUJYXBGRGKIZHA-CQSZACIVSA-N 1 0 398.374 2.735 20 0 GFADRO Cn1cc([C@]2(C[NH2+]C[C@@H](O)c3ccc(Br)cc3)CCCO2)cn1 ZINC000905688645 663886362 /nfs/dbraw/zinc/88/63/62/663886362.db2.gz XTPSWUAZHSBLOM-IAGOWNOFSA-N 1 0 380.286 2.512 20 0 GFADRO C[C@]1([C@H]2CCCN(Cn3ncc(Br)c3C3CC3)C2)COC(=O)N1 ZINC000905700655 663887577 /nfs/dbraw/zinc/88/75/77/663887577.db2.gz JDPPJKCTPROGTM-BLLLJJGKSA-N 1 0 383.290 2.691 20 0 GFADRO O[C@H](C[NH2+]CCOC1CCSCC1)COc1ccccc1C(F)(F)F ZINC000905707311 663887875 /nfs/dbraw/zinc/88/78/75/663887875.db2.gz YHDAQDJISOSLPP-CYBMUJFWSA-N 1 0 379.444 2.947 20 0 GFADRO C[C@]1([C@H]2CCCN(Cn3ncc4c3cccc4Br)C2)COC(=O)N1 ZINC000905709248 663888180 /nfs/dbraw/zinc/88/81/80/663888180.db2.gz ZIQROOGMHPBUAO-YVEFUNNKSA-N 1 0 393.285 2.967 20 0 GFADRO CC[C@](O)(Cn1cc([C@H]([NH3+])c2ccc(Br)cc2)nn1)C(F)(F)F ZINC000905827777 663894101 /nfs/dbraw/zinc/89/41/01/663894101.db2.gz KKWNRPMKDIXFOH-OLZOCXBDSA-N 1 0 393.207 2.792 20 0 GFADRO C[NH+]1CCC(OCC(=O)Nc2cc(C(F)(F)F)cc(Br)n2)CC1 ZINC000905972061 663904518 /nfs/dbraw/zinc/90/45/18/663904518.db2.gz CSUJIKDJDRIQRX-UHFFFAOYSA-N 1 0 396.207 2.912 20 0 GFADRO O=C(NC1(c2ccc(Br)cc2)CC1)C1(n2cccn2)CC[NH2+]CC1 ZINC000906217030 663932483 /nfs/dbraw/zinc/93/24/83/663932483.db2.gz NFDZCMMAEQTXKH-UHFFFAOYSA-N 1 0 389.297 2.530 20 0 GFADRO C[C@@H](C(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1)c1cnccn1 ZINC000906441748 663948194 /nfs/dbraw/zinc/94/81/94/663948194.db2.gz YRRHSIOIMKBMLQ-CQSZACIVSA-N 1 0 391.313 2.933 20 0 GFADRO O=C(C[C@@H](O)C(Cl)(Cl)Cl)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000906566684 663958613 /nfs/dbraw/zinc/95/86/13/663958613.db2.gz MQGSALRJLCTXOP-LSDHHAIUSA-N 1 0 393.742 2.788 20 0 GFADRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cc(Br)cn(C2CC2)c1=O ZINC000906644429 663962599 /nfs/dbraw/zinc/96/25/99/663962599.db2.gz NTKXLXRWKIDUGG-CQSZACIVSA-N 1 0 382.302 2.550 20 0 GFADRO [NH3+]CC1(c2ccccc2)CCN(C(=O)C(=O)Nc2cscc2Cl)CC1 ZINC000906698912 663965858 /nfs/dbraw/zinc/96/58/58/663965858.db2.gz RWPSDBGQYOUIPT-UHFFFAOYSA-N 1 0 377.897 2.859 20 0 GFADRO CC1(C)C[NH2+]C[C@@H]1NC(=O)C(=O)Nc1cccnc1-c1ccc(Cl)s1 ZINC000906709432 663966173 /nfs/dbraw/zinc/96/61/73/663966173.db2.gz YTJOEIHQAVOAPH-LBPRGKRZSA-N 1 0 378.885 2.516 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)NC2(C3CC[NH2+]CC3)CC2)cc1Br ZINC000906716303 663966773 /nfs/dbraw/zinc/96/67/73/663966773.db2.gz GMKUMSQSZHKCSY-UHFFFAOYSA-N 1 0 394.313 2.653 20 0 GFADRO CSc1nc2ccc(NC(=O)C(=O)NC[C@H]3CCCCC[NH2+]3)cc2s1 ZINC000906731427 663967384 /nfs/dbraw/zinc/96/73/84/663967384.db2.gz HJPWFIKYORASAM-GFCCVEGCSA-N 1 0 378.523 2.605 20 0 GFADRO O=C(c1cccn2ncc(Br)c12)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000906775386 663969846 /nfs/dbraw/zinc/96/98/46/663969846.db2.gz PIXMGWTXUWCKBR-ZDUSSCGKSA-N 1 0 377.286 2.655 20 0 GFADRO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)c2cccn3ncc(Br)c23)C1 ZINC000906876639 663978361 /nfs/dbraw/zinc/97/83/61/663978361.db2.gz VNPRSEVKMCMRCF-CQSZACIVSA-N 1 0 391.313 2.901 20 0 GFADRO Cc1cc(Br)c(CC(=O)N2CC[NH+](C3CCOCC3)CC2)s1 ZINC000906890051 663979123 /nfs/dbraw/zinc/97/91/23/663979123.db2.gz YFAKIOBZEJRBGA-UHFFFAOYSA-N 1 0 387.343 2.685 20 0 GFADRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)C(F)(F)c2ncccc2Br)C1 ZINC000906912611 663981334 /nfs/dbraw/zinc/98/13/34/663981334.db2.gz DRYMTTTZVXNMKX-QWRGUYRKSA-N 1 0 376.245 2.925 20 0 GFADRO CS[C@@H]1CN(C(=O)c2c[nH]c(=NC(=O)OC(C)(C)C)s2)C[C@H]1[NH+](C)C ZINC000907147233 664006638 /nfs/dbraw/zinc/00/66/38/664006638.db2.gz SKSFBSDKHSQMIV-ZYHUDNBSSA-N 1 0 386.543 2.608 20 0 GFADRO C[C@H]1CN(S(=O)(=O)c2c[nH]c3ncc(Cl)cc23)CC[N@@H+](C2CCC2)C1 ZINC000907196520 664011003 /nfs/dbraw/zinc/01/10/03/664011003.db2.gz IBRGOAZWKBAPMZ-GFCCVEGCSA-N 1 0 382.917 2.711 20 0 GFADRO Cc1cc(CS(=O)(=O)N(C)C[C@H]2CC[N@H+](Cc3ccc(C)s3)C2)no1 ZINC000907343343 664026021 /nfs/dbraw/zinc/02/60/21/664026021.db2.gz BOIDVFKERIGSIK-OAHLLOKOSA-N 1 0 383.539 2.637 20 0 GFADRO Cc1ccc(C[N@H+]2CC[C@H](CN(C)S(=O)(=O)C[C@H]3CCCCO3)C2)s1 ZINC000907347945 664027395 /nfs/dbraw/zinc/02/73/95/664027395.db2.gz YCWAFARIWZUOIS-IAGOWNOFSA-N 1 0 386.583 2.709 20 0 GFADRO C[N@@H+]1CCC[C@@](O)(CC(=O)N2CC=C(c3cccc(Br)c3)CC2)C1 ZINC000907385524 664030421 /nfs/dbraw/zinc/03/04/21/664030421.db2.gz LMOSDLGHNQBPNF-LJQANCHMSA-N 1 0 393.325 2.912 20 0 GFADRO CCOc1ccc(NC(=O)c2ccnn2CC[NH+](C)C)cc1Br ZINC000907524670 664043490 /nfs/dbraw/zinc/04/34/90/664043490.db2.gz DSGFOTPAGWYRSL-UHFFFAOYSA-N 1 0 381.274 2.858 20 0 GFADRO C[N@@H+]1CCC[C@@](O)(CC(=O)Nc2nnc(Cc3ccc(Cl)cc3)s2)C1 ZINC000907551080 664045489 /nfs/dbraw/zinc/04/54/89/664045489.db2.gz ZBKMQTSOVRIMOR-QGZVFWFLSA-N 1 0 380.901 2.568 20 0 GFADRO CN(Cc1ccc(Br)cc1Cl)C(=O)[C@@]1(C)C[C@H](O)C[N@@H+]1C ZINC000907697546 664054235 /nfs/dbraw/zinc/05/42/35/664054235.db2.gz AGLATZJUMJIWBL-SWLSCSKDSA-N 1 0 375.694 2.516 20 0 GFADRO Cc1sc(Br)cc1S(=O)(=O)N1CCC12CC[NH+](C)CC2 ZINC000907852775 664065748 /nfs/dbraw/zinc/06/57/48/664065748.db2.gz CUQGIWIGFLSBNB-UHFFFAOYSA-N 1 0 379.345 2.678 20 0 GFADRO Cc1cc(Br)c(CC(=O)N2C[C@H](N3CCOCC3)C[C@H]2C)s1 ZINC000908147560 664087822 /nfs/dbraw/zinc/08/78/22/664087822.db2.gz XZPMGFSPNXTSDU-DGCLKSJQSA-N 1 0 387.343 2.683 20 0 GFADRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1cc(Br)cn(C2CC2)c1=O ZINC000908146933 664087838 /nfs/dbraw/zinc/08/78/38/664087838.db2.gz PCDQPRWKCFKFGB-SWLSCSKDSA-N 1 0 394.313 2.645 20 0 GFADRO COCC[NH+](CCOC)C1CCN(C(=O)c2ccnc(Cl)c2Cl)CC1 ZINC000908162520 664088566 /nfs/dbraw/zinc/08/85/66/664088566.db2.gz SCCIUOIMOOUUSU-UHFFFAOYSA-N 1 0 390.311 2.588 20 0 GFADRO C[N@@H+]1CCC[C@@](O)(CC(=O)N[C@H]2C[C@H](c3ccc(Br)cc3)C2)C1 ZINC000908317225 664098767 /nfs/dbraw/zinc/09/87/67/664098767.db2.gz LZYXSTORLNHTID-QGPMSJSTSA-N 1 0 381.314 2.658 20 0 GFADRO C[C@@H](CNC(=O)c1ccc(Cn2cc(Br)cn2)s1)C[NH+](C)C ZINC000908344812 664100571 /nfs/dbraw/zinc/10/05/71/664100571.db2.gz BMCDLKBXVSZXPM-NSHDSACASA-N 1 0 385.331 2.683 20 0 GFADRO C[C@@H]1CN(C(=O)C(F)(F)c2ncccc2Br)CC[N@@H+](C2CC2)C1 ZINC000908504463 664111417 /nfs/dbraw/zinc/11/14/17/664111417.db2.gz YHHPTKQWPJLGLP-NSHDSACASA-N 1 0 388.256 2.879 20 0 GFADRO Cc1c(Br)scc1C(=O)N1CCC(CO)([NH2+]C(C)C)CC1 ZINC000908600315 664116758 /nfs/dbraw/zinc/11/67/58/664116758.db2.gz FWMHNAQDLNUHIN-UHFFFAOYSA-N 1 0 375.332 2.784 20 0 GFADRO CC[N@@H+]1CCCN(C(=O)c2cccnc2-n2cc(Br)cn2)[C@@H](C)C1 ZINC000910272513 664204032 /nfs/dbraw/zinc/20/40/32/664204032.db2.gz XZGCWZMSUAFKKK-ZDUSSCGKSA-N 1 0 392.301 2.586 20 0 GFADRO CC(C)n1cc(Br)c(C(=O)N2CCC([N@@H+]3CCCOCC3)CC2)n1 ZINC000910366763 664208233 /nfs/dbraw/zinc/20/82/33/664208233.db2.gz SDBZXYCDYNYDBU-UHFFFAOYSA-N 1 0 399.333 2.553 20 0 GFADRO COc1cc(NC(=O)C[C@H](O)C(Cl)(Cl)Cl)ccc1OCC[NH+](C)C ZINC000910935610 664231331 /nfs/dbraw/zinc/23/13/31/664231331.db2.gz LFGHXUHZUSDITR-ZDUSSCGKSA-N 1 0 399.702 2.695 20 0 GFADRO O=C(NC1CC[NH2+]CC1)c1c(Cl)ccc(I)c1F ZINC000911630190 664250697 /nfs/dbraw/zinc/25/06/97/664250697.db2.gz PXMVNLVZRRJRLH-UHFFFAOYSA-N 1 0 382.604 2.566 20 0 GFADRO C[NH2+]C[C@H]1CCCN(C(=O)c2cc3ccc(Br)cc3c(=O)o2)C1 ZINC000911632604 664250936 /nfs/dbraw/zinc/25/09/36/664250936.db2.gz AAGGYHRPOPBHQZ-LLVKDONJSA-N 1 0 379.254 2.627 20 0 GFADRO CN(C(=O)c1ccc(Cn2cc(Br)cn2)s1)C1CC[NH2+]CC1 ZINC000911692716 664253461 /nfs/dbraw/zinc/25/34/61/664253461.db2.gz VCGVZNPJCMYFRB-UHFFFAOYSA-N 1 0 383.315 2.579 20 0 GFADRO Cc1c(C(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)nnn1-c1ccccc1Br ZINC000911821409 664257252 /nfs/dbraw/zinc/25/72/52/664257252.db2.gz IOICOJOUMWECFC-AAEUAGOBSA-N 1 0 392.301 2.538 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)[C@@H](C)c2ccc(I)cc2)C1 ZINC000911826736 664257557 /nfs/dbraw/zinc/25/75/57/664257557.db2.gz RPXWUPDRUCVBNH-OBJOEFQTSA-N 1 0 386.277 2.981 20 0 GFADRO CC(C)[C@H]([NH3+])CCN(C)C(=O)C[C@@H]1c2cccc(Br)c2NC1=O ZINC000911872108 664260264 /nfs/dbraw/zinc/26/02/64/664260264.db2.gz WNCDYPFLPSMRNP-TZMCWYRMSA-N 1 0 382.302 2.707 20 0 GFADRO Cc1nc(-c2cccs2)c(CC(=O)N(CCO)C2CC[NH+](C)CC2)s1 ZINC000911936150 664262481 /nfs/dbraw/zinc/26/24/81/664262481.db2.gz XDLNGHIPWKIWHY-UHFFFAOYSA-N 1 0 379.551 2.638 20 0 GFADRO C[NH+]1CCC(N(CCO)C(=O)Cc2cc(Br)ccc2Cl)CC1 ZINC000911933785 664262517 /nfs/dbraw/zinc/26/25/17/664262517.db2.gz QMYTWKANVLAPDW-UHFFFAOYSA-N 1 0 389.721 2.560 20 0 GFADRO Brc1nnc(-c2ccc(N3CC[NH+](C[C@H]4CCOC4)CC3)cc2)o1 ZINC000911970200 664264099 /nfs/dbraw/zinc/26/40/99/664264099.db2.gz XOMIZOSGYUOUCU-CYBMUJFWSA-N 1 0 393.285 2.658 20 0 GFADRO [NH3+]CCn1cc(Br)cc(C(=O)N2CCC[C@@H]2c2cccs2)c1=O ZINC000912067761 664269318 /nfs/dbraw/zinc/26/93/18/664269318.db2.gz ICFHKJKBPMTROU-CYBMUJFWSA-N 1 0 396.310 2.608 20 0 GFADRO O=C(NCC[C@H]1CCCO1)C1(c2ccc(Br)cc2)CC[NH2+]CC1 ZINC000912205828 664276106 /nfs/dbraw/zinc/27/61/06/664276106.db2.gz ADAQPXDSKJLSLW-MRXNPFEDSA-N 1 0 381.314 2.756 20 0 GFADRO CN(Cc1cccc(Br)c1)C(=O)[C@@H]1CC[NH2+][C@H]([C@H]2CCCO2)C1 ZINC000912342564 664282705 /nfs/dbraw/zinc/28/27/05/664282705.db2.gz IONAKXAKAFUYLB-HYVNUMGLSA-N 1 0 381.314 2.955 20 0 GFADRO CC(C)N(Cc1cc(Br)ccc1F)C(=O)C[C@]1(O)CCC[NH2+]C1 ZINC000912421628 664285937 /nfs/dbraw/zinc/28/59/37/664285937.db2.gz JZBQDFPFCALMND-QGZVFWFLSA-N 1 0 387.293 2.830 20 0 GFADRO C[N@@H+]1CCC[C@](O)(CC(=O)N[C@H]2CSCc3ccc(Br)cc32)C1 ZINC000912466076 664288895 /nfs/dbraw/zinc/28/88/95/664288895.db2.gz RVPQGYIUPDXDSF-RDJZCZTQSA-N 1 0 399.354 2.700 20 0 GFADRO CC(C)C[NH2+]C1(CO)CCN(C(=O)COc2cc(Cl)cc(Cl)c2)CC1 ZINC000912587916 664293902 /nfs/dbraw/zinc/29/39/02/664293902.db2.gz HZOBIORTLBTSHL-UHFFFAOYSA-N 1 0 389.323 2.971 20 0 GFADRO CC(C)C[NH2+]C1(CO)CCN(C(=O)CCc2ccccc2Br)CC1 ZINC000912592394 664294394 /nfs/dbraw/zinc/29/43/94/664294394.db2.gz RVHHNPNXMMIZOK-UHFFFAOYSA-N 1 0 397.357 2.981 20 0 GFADRO CC[C@H](C(=O)N[C@H](c1nccn1C)c1ccc(Br)cc1)[NH+](C)C ZINC000912677751 664296503 /nfs/dbraw/zinc/29/65/03/664296503.db2.gz YQHNIQUZIQOXEH-CABCVRRESA-N 1 0 379.302 2.728 20 0 GFADRO Cn1ccnc1[C@@H](NC(=O)C1(C[NH+](C)C)CC1)c1ccc(Br)cc1 ZINC000912678443 664296716 /nfs/dbraw/zinc/29/67/16/664296716.db2.gz IGKDVBHAAYOSKH-HNNXBMFYSA-N 1 0 391.313 2.730 20 0 GFADRO COc1cc(NC(=O)C2CN(C)CC[N@H+](C)C2)c(Cl)cc1Br ZINC000912698456 664298608 /nfs/dbraw/zinc/29/86/08/664298608.db2.gz OHHMGXCKFBBWII-UHFFFAOYSA-N 1 0 390.709 2.543 20 0 GFADRO O=C(NC[C@H]1CCC[N@H+](CC2CC2)C1)[C@@H](O)c1cccc(Br)c1 ZINC000912765075 664300868 /nfs/dbraw/zinc/30/08/68/664300868.db2.gz RCOHFAUHCHYTLC-PBHICJAKSA-N 1 0 381.314 2.721 20 0 GFADRO C[C@H](C[NH+](C)C)[C@@H]1CCCCN1C(=O)c1cnn2cc(Br)cnc12 ZINC000912810061 664303390 /nfs/dbraw/zinc/30/33/90/664303390.db2.gz ONFMUSHMJXXMTI-DOMZBBRYSA-N 1 0 394.317 2.684 20 0 GFADRO CNc1cc(I)ccc1C(=O)N1CCC([NH+]2CCC2)CC1 ZINC000912870660 664306717 /nfs/dbraw/zinc/30/67/17/664306717.db2.gz CYGOWDZWPUTUML-UHFFFAOYSA-N 1 0 399.276 2.643 20 0 GFADRO CC(C)(C(=O)N1CCC([NH+]2CCC2)CC1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000912871900 664307018 /nfs/dbraw/zinc/30/70/18/664307018.db2.gz GRHODLKQPUDKHM-UHFFFAOYSA-N 1 0 384.929 2.589 20 0 GFADRO O=C(c1cnn(-c2cccc(Br)c2)c1)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000912918027 664310287 /nfs/dbraw/zinc/31/02/87/664310287.db2.gz SQTWHCJMRQMCKB-MRXNPFEDSA-N 1 0 375.270 2.555 20 0 GFADRO CCC1([NH+](C)C)CCN(C(=O)c2nscc2I)CC1 ZINC000913661748 664348300 /nfs/dbraw/zinc/34/83/00/664348300.db2.gz UKDLUHSQOZJRFH-UHFFFAOYSA-N 1 0 393.294 2.694 20 0 GFADRO CC(C)Oc1cc(C(=O)N2CCC(O)(C[NH+](C)C)CC2)ccc1Br ZINC000913675811 664348813 /nfs/dbraw/zinc/34/88/13/664348813.db2.gz FSEUOJKDWMACLG-UHFFFAOYSA-N 1 0 399.329 2.765 20 0 GFADRO C[C@@H](Oc1cc(Cl)cc(Cl)c1)C(=O)N1CCC(O)(C[NH+](C)C)CC1 ZINC000913680022 664349295 /nfs/dbraw/zinc/34/92/95/664349295.db2.gz ACQCBJTZMWQSAI-GFCCVEGCSA-N 1 0 375.296 2.676 20 0 GFADRO C[C@H](C(=O)N1CC[NH+](CCCCCO)CC1)c1cccc(Br)c1 ZINC000913694307 664351111 /nfs/dbraw/zinc/35/11/11/664351111.db2.gz JVWSUXOOTAAOGJ-HNNXBMFYSA-N 1 0 383.330 2.859 20 0 GFADRO CC(C)[NH+]1CCN(CCCC(=O)N[C@H](C)c2ccncc2Br)CC1 ZINC000913807407 664359293 /nfs/dbraw/zinc/35/92/93/664359293.db2.gz HLCHBUJDFYQJGF-OAHLLOKOSA-N 1 0 397.361 2.828 20 0 GFADRO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)c1cnnn1-c1cc(Cl)ccc1Cl ZINC000913816065 664359920 /nfs/dbraw/zinc/35/99/20/664359920.db2.gz YPUGXYNLWMBCFO-UONOGXRCSA-N 1 0 380.279 2.883 20 0 GFADRO CN(Cc1ccccc1Br)S(=O)(=O)C[C@@]12CC[N@H+](C1)CCC2 ZINC000913839775 664360667 /nfs/dbraw/zinc/36/06/67/664360667.db2.gz DBFKIYNOLRDJOJ-INIZCTEOSA-N 1 0 387.343 2.697 20 0 GFADRO CC1CC[NH+](CCNC(=O)NC2(c3ncc(Br)cn3)CCC2)CC1 ZINC000914075845 664374643 /nfs/dbraw/zinc/37/46/43/664374643.db2.gz IRVPRZRZUQUSQU-UHFFFAOYSA-N 1 0 396.333 2.649 20 0 GFADRO O=S(=O)(c1occc1Br)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000914078152 664374957 /nfs/dbraw/zinc/37/49/57/664374957.db2.gz IQGHWUZODJNUJT-GFCCVEGCSA-N 1 0 377.304 2.681 20 0 GFADRO C[C@H](C[NH+]1CCCCC1)NC(=O)N1CCC[C@@H]1c1ncc(Br)cn1 ZINC000914080445 664375133 /nfs/dbraw/zinc/37/51/33/664375133.db2.gz DGHKHLNCYGBLOC-UKRRQHHQSA-N 1 0 396.333 2.960 20 0 GFADRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)S(=O)(=O)Cc1ccc(F)cc1Br ZINC000914178300 664383351 /nfs/dbraw/zinc/38/33/51/664383351.db2.gz IIFMHRLKQHHLFH-IAQYHMDHSA-N 1 0 393.322 2.690 20 0 GFADRO C[C@H]1C[C@@H](N(C)S(=O)(=O)Cc2cccc(F)c2Br)CC[N@@H+]1C ZINC000914179440 664383570 /nfs/dbraw/zinc/38/35/70/664383570.db2.gz LNDXQZIRMVDGKO-AAEUAGOBSA-N 1 0 393.322 2.833 20 0 GFADRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)NC1(c2ncc(Br)cn2)CCC1 ZINC000914219857 664387195 /nfs/dbraw/zinc/38/71/95/664387195.db2.gz CRXHBZQRFMEVQH-UONOGXRCSA-N 1 0 394.317 2.544 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2S(=O)(=O)c1cscc1C(F)F ZINC000914275449 664393897 /nfs/dbraw/zinc/39/38/97/664393897.db2.gz QIJXIINUQUDZPE-WXHSDQCUSA-N 1 0 380.482 2.558 20 0 GFADRO CN(C)C(=O)c1cccc(C[NH2+]C[C@@H](O)c2cccc(Br)c2)c1 ZINC000914794894 664416204 /nfs/dbraw/zinc/41/62/04/664416204.db2.gz DRNZZQUJDWCGKB-QGZVFWFLSA-N 1 0 377.282 2.974 20 0 GFADRO CC(C)C[C@@H](CNC(=O)/C=C\c1ccc(I)o1)[NH+](C)C ZINC000915267917 664426176 /nfs/dbraw/zinc/42/61/76/664426176.db2.gz OUEGMMVCAJSGBA-VFFGBVLKSA-N 1 0 390.265 2.990 20 0 GFADRO O=C(NCCc1ccccc1Br)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000915425180 664430593 /nfs/dbraw/zinc/43/05/93/664430593.db2.gz FBXFZDBABSFEPA-INIZCTEOSA-N 1 0 396.329 2.544 20 0 GFADRO CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(S(=O)(=O)c2cscc2C(F)F)C1 ZINC000915511364 664432561 /nfs/dbraw/zinc/43/25/61/664432561.db2.gz CRJZKYDPZAUHDU-RYUDHWBXSA-N 1 0 380.482 2.560 20 0 GFADRO C[N@@H+]1CCC[C@@]2(CCN(S(=O)(=O)Cc3ccsc3Br)C2)C1 ZINC000915892126 664443415 /nfs/dbraw/zinc/44/34/15/664443415.db2.gz BTCQVPRPKCQPKB-CQSZACIVSA-N 1 0 393.372 2.758 20 0 GFADRO O[C@@H](C[NH2+]CCOc1ccc2c(c1)OCO2)c1cccc(Br)c1 ZINC000917007272 664475223 /nfs/dbraw/zinc/47/52/23/664475223.db2.gz WZFZIECTHKZAOB-HNNXBMFYSA-N 1 0 380.238 2.880 20 0 GFADRO CN(Cc1ncc(Br)cn1)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000919151267 664508736 /nfs/dbraw/zinc/50/87/36/664508736.db2.gz QPKBOUXZMMMIQM-CYBMUJFWSA-N 1 0 386.338 2.747 20 0 GFADRO Cc1cc(Br)cc(C)c1S(=O)(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000919725663 664517361 /nfs/dbraw/zinc/51/73/61/664517361.db2.gz CCTQKXIZMMYDGA-LSDHHAIUSA-N 1 0 387.343 2.971 20 0 GFADRO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NS(=O)(=O)c3ccc(Cl)s3)C2)[C@H]1C(C)C ZINC000920296687 664524547 /nfs/dbraw/zinc/52/45/47/664524547.db2.gz VTLCAQXKTGOZGF-BHTHQVBYSA-N 1 0 392.974 2.550 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)N2CCC[C@H]2c2ncc(Br)cn2)CC[N@@H+]1C ZINC000920406031 664525953 /nfs/dbraw/zinc/52/59/53/664525953.db2.gz XBOQIWQBPFLYAV-BNOWGMLFSA-N 1 0 382.306 2.568 20 0 GFADRO CC[NH+](CC)C[C@H](C)NC(=O)CN1C(=S)N=NC1c1ccc(Cl)cc1 ZINC000921078133 664536509 /nfs/dbraw/zinc/53/65/09/664536509.db2.gz NMVKNUPSWSHUKX-LBPRGKRZSA-N 1 0 381.933 2.734 20 0 GFADRO C[NH+](C)CC[C@@H](NS(=O)(=O)Cc1ccc(Cl)c(F)c1)c1cccnc1 ZINC000921480185 664550213 /nfs/dbraw/zinc/55/02/13/664550213.db2.gz AXLZZIJGEYJXPC-QGZVFWFLSA-N 1 0 385.892 2.987 20 0 GFADRO CCn1c(Br)c(Br)nc1CNC1CC[NH+](C)CC1 ZINC000921500434 664550843 /nfs/dbraw/zinc/55/08/43/664550843.db2.gz MQESTNRJOJXEMU-UHFFFAOYSA-N 1 0 380.128 2.612 20 0 GFADRO O[C@H](C[NH2+]Cc1nc(Br)c[nH]1)c1ccc(OC(F)(F)F)cc1 ZINC000921629160 664558409 /nfs/dbraw/zinc/55/84/09/664558409.db2.gz KUEPJRKKRGVDJH-SNVBAGLBSA-N 1 0 380.164 2.894 20 0 GFADRO Cc1nnc2n1C[C@@H]([NH2+]Cc1cc(C)c(I)cc1C)CC2 ZINC000921634404 664558585 /nfs/dbraw/zinc/55/85/85/664558585.db2.gz UFWJHIPKTYZKEF-AWEZNQCLSA-N 1 0 396.276 2.913 20 0 GFADRO C[NH+](C)CC[C@H](NC(=O)N[C@@H]1CC[C@@H]2SCCS[C@@H]12)c1cccnc1 ZINC000921698159 664561606 /nfs/dbraw/zinc/56/16/06/664561606.db2.gz OUGURGQALSDSNV-YVSFHVDLSA-N 1 0 380.583 2.753 20 0 GFADRO CCn1c(Br)c(Br)nc1CNC[C@@H]1CCC[N@H+](C)C1 ZINC000921714525 664563349 /nfs/dbraw/zinc/56/33/49/664563349.db2.gz BFOKDIMEXSGIQA-JTQLQIEISA-N 1 0 394.155 2.859 20 0 GFADRO Cn1nc2c(c1C[NH2+][C@@H]1CCN(c3ccccc3Br)C1)COCC2 ZINC000921730382 664564908 /nfs/dbraw/zinc/56/49/08/664564908.db2.gz ZREOTWBDKZDHDW-CYBMUJFWSA-N 1 0 391.313 2.624 20 0 GFADRO Cc1cccc(C[NH2+]C2CCN(S(=O)(=O)C3CC3)CC2)c1Br ZINC000921825681 664570919 /nfs/dbraw/zinc/57/09/19/664570919.db2.gz NJILSSXEBSHBER-UHFFFAOYSA-N 1 0 387.343 2.804 20 0 GFADRO CCn1c(C[NH2+]CCC[C@@H](C)CO)nc(Br)c1Br ZINC000921941088 664577640 /nfs/dbraw/zinc/57/76/40/664577640.db2.gz YRNKQTIGUIANKO-SECBINFHSA-N 1 0 383.128 2.926 20 0 GFADRO C[C@H](CCNS(=O)(=O)c1ccccc1)[NH2+]Cc1c(Cl)n[nH]c1C1CC1 ZINC000922109836 664586193 /nfs/dbraw/zinc/58/61/93/664586193.db2.gz KSXXGUUYWMHXPO-GFCCVEGCSA-N 1 0 382.917 2.787 20 0 GFADRO COC(=O)COc1ccccc1C[NH2+]C[C@@H](O)c1cccc(Br)c1 ZINC000922109569 664586309 /nfs/dbraw/zinc/58/63/09/664586309.db2.gz IUGLHZVAFBOMJG-MRXNPFEDSA-N 1 0 394.265 2.824 20 0 GFADRO CCn1c(C[NH2+][C@@H]2C[C@H]3CC[C@@H]2O3)nc(Br)c1Br ZINC000922218232 664590386 /nfs/dbraw/zinc/59/03/86/664590386.db2.gz YOORDVTYJOCMQK-HLTSFMKQSA-N 1 0 379.096 2.838 20 0 GFADRO C[C@@H](NC(=O)NCc1cc(N(C)C)cc[nH+]1)c1ccc(Br)cn1 ZINC000922289926 664593390 /nfs/dbraw/zinc/59/33/90/664593390.db2.gz NBPJPWGNTUPJND-LLVKDONJSA-N 1 0 378.274 2.866 20 0 GFADRO O=C(NCc1cnc(Br)cn1)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000922329285 664594836 /nfs/dbraw/zinc/59/48/36/664594836.db2.gz NBSLFBFPMQIQJO-OAHLLOKOSA-N 1 0 396.333 2.835 20 0 GFADRO Cc1ccnc(C[NH2+][C@@H]2CCCC[C@@H]2CC2N=NC(=O)N2C)c1Br ZINC000922405178 664599790 /nfs/dbraw/zinc/59/97/90/664599790.db2.gz VAKXNZRZSXUUBM-CHWSQXEVSA-N 1 0 394.317 2.878 20 0 GFADRO C[C@@H](NC(=O)NCc1cn(C)nc1Br)[C@H](c1ccccc1)[NH+](C)C ZINC000922412386 664600527 /nfs/dbraw/zinc/60/05/27/664600527.db2.gz CSDOATXZBFFWMT-IUODEOHRSA-N 1 0 394.317 2.673 20 0 GFADRO CC[C@H](C)[NH2+][C@H](CNC(=O)NCc1cnc(Br)cn1)c1ccco1 ZINC000922424654 664601186 /nfs/dbraw/zinc/60/11/86/664601186.db2.gz PXOXDJFVLVXIBM-WCQYABFASA-N 1 0 396.289 2.761 20 0 GFADRO CC(C)(C)NS(=O)(=O)C1(C[NH2+]Cc2c[nH]nc2-c2cccs2)CCC1 ZINC000922474460 664603315 /nfs/dbraw/zinc/60/33/15/664603315.db2.gz OIGQUAISDZXCKU-UHFFFAOYSA-N 1 0 382.555 2.868 20 0 GFADRO Cc1ccccc1-c1ccccc1C[NH2+]CCS(=O)(=O)N=S(C)(C)=O ZINC000922493381 664603996 /nfs/dbraw/zinc/60/39/96/664603996.db2.gz PITLJQHMCZULOZ-UHFFFAOYSA-N 1 0 380.535 2.809 20 0 GFADRO CSC1(CNC(=O)N2CC[C@@H](Cc3nc(C)cs3)C2)CC[NH+](C)CC1 ZINC000922529324 664605838 /nfs/dbraw/zinc/60/58/38/664605838.db2.gz DALSWUFRGLPPMN-HNNXBMFYSA-N 1 0 382.599 2.853 20 0 GFADRO Cc1c(Br)cccc1CC[NH2+]Cc1cn(C[C@H]2CCOC2)nn1 ZINC000922683951 664610817 /nfs/dbraw/zinc/61/08/17/664610817.db2.gz NSSYXNDXHOCJNB-CQSZACIVSA-N 1 0 379.302 2.718 20 0 GFADRO Cc1cc(CC[NH2+]Cc2ncc(Br)cc2Br)nn1C ZINC000922690204 664610823 /nfs/dbraw/zinc/61/08/23/664610823.db2.gz GAUSCRBKXMSUFU-UHFFFAOYSA-N 1 0 388.107 2.981 20 0 GFADRO O=C(N[C@@H]1CCO[C@H](c2cccs2)C1)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000922756584 664613600 /nfs/dbraw/zinc/61/36/00/664613600.db2.gz LZYAKZCQKIXKTB-WCVJEAGWSA-N 1 0 381.567 2.847 20 0 GFADRO COc1ccc(C[NH2+]CC2(n3cc(Br)cn3)CC2)c(OC)c1OC ZINC000922803738 664615156 /nfs/dbraw/zinc/61/51/56/664615156.db2.gz FAVIEZJRTAMATP-UHFFFAOYSA-N 1 0 396.285 2.950 20 0 GFADRO COc1cc(C[NH2+]C[C@H]2CCN2C2CCOCC2)cc(Br)c1O ZINC000922951411 664619799 /nfs/dbraw/zinc/61/97/99/664619799.db2.gz NXVWCBVBZQNVDL-CQSZACIVSA-N 1 0 385.302 2.506 20 0 GFADRO COc1cc(Br)c(CNC[C@@H]2CC[N@@H+]2C2CCOCC2)c(OC)c1 ZINC000922954000 664619805 /nfs/dbraw/zinc/61/98/05/664619805.db2.gz OAJCBFIYIURSBW-AWEZNQCLSA-N 1 0 399.329 2.809 20 0 GFADRO NS(=O)(=O)c1cc(C[NH2+]C[C@]2(c3ccccc3)CCCO2)ccc1Cl ZINC000922962810 664620149 /nfs/dbraw/zinc/62/01/49/664620149.db2.gz VIHAKJMJNRTIHN-SFHVURJKSA-N 1 0 380.897 2.783 20 0 GFADRO O[C@H]1C[C@@H]([NH2+]Cc2cc(Br)c3c(c2)OCCCO3)C12CCOCC2 ZINC000923021815 664621328 /nfs/dbraw/zinc/62/13/28/664621328.db2.gz UMBBQECUCQANAR-CVEARBPZSA-N 1 0 398.297 2.630 20 0 GFADRO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)c1ccn(-c2cccc(Br)c2)n1 ZINC000923290197 664627592 /nfs/dbraw/zinc/62/75/92/664627592.db2.gz VQIWXEVAMOOZBW-GOEBONIOSA-N 1 0 389.297 2.944 20 0 GFADRO CCC[N@@H+]1CC[C@@H](NC(=O)N2CCCC[C@@H]2c2ncc(Br)cn2)C1 ZINC000923319962 664628208 /nfs/dbraw/zinc/62/82/08/664628208.db2.gz RDKMZPNHBUXSMB-HUUCEWRRSA-N 1 0 396.333 2.960 20 0 GFADRO Cc1ccc(Cl)c(OC[C@H](O)CN2CCC[C@@H](C[NH3+])[C@H]2C(F)(F)F)c1 ZINC000923400993 664629870 /nfs/dbraw/zinc/62/98/70/664629870.db2.gz PPTQHIIYDRTTCP-ZENOOKHLSA-N 1 0 380.838 2.990 20 0 GFADRO OCC[NH2+][C@H]1CCCN(Cc2coc(-c3ccc(Br)cc3)n2)C1 ZINC000923407554 664630009 /nfs/dbraw/zinc/63/00/09/664630009.db2.gz NVYJOZVHDCTZJY-HNNXBMFYSA-N 1 0 380.286 2.650 20 0 GFADRO [NH3+]C[C@@H]1CN(C[C@@H](O)COc2ccc(Cl)cc2Cl)C[C@@H]1C(F)(F)F ZINC000923427692 664630185 /nfs/dbraw/zinc/63/01/85/664630185.db2.gz UWZQPJCYYBUZMY-JLLWLGSASA-N 1 0 387.229 2.802 20 0 GFADRO C[C@@H]1C[NH2+][C@@H](C)[C@H](C)N1Cc1csc(-c2ccc(S(C)(=O)=O)cc2)n1 ZINC000923437705 664630576 /nfs/dbraw/zinc/63/05/76/664630576.db2.gz VSAADUUZBNPOFQ-RDBSUJKOSA-N 1 0 379.551 2.784 20 0 GFADRO CC[NH+](CC)CC1CCN(C(=O)NCc2cnc(Br)cn2)CC1 ZINC000923531001 664632903 /nfs/dbraw/zinc/63/29/03/664632903.db2.gz KZEAOZSTPCGXDR-UHFFFAOYSA-N 1 0 384.322 2.503 20 0 GFADRO [NH3+]CC[C@@H]1CCN(S(=O)(=O)Cc2ccc(Cl)cc2Br)C1 ZINC000923699285 664636324 /nfs/dbraw/zinc/63/63/24/664636324.db2.gz LIMZWJBSUJNEJO-SNVBAGLBSA-N 1 0 381.723 2.603 20 0 GFADRO Cc1csc(S(=O)(=O)N2C[C@@H](C[C@H]3COCC[NH2+]3)c3ccccc32)c1 ZINC000923743421 664637553 /nfs/dbraw/zinc/63/75/53/664637553.db2.gz IQIQPPZXCMEDKP-CABCVRRESA-N 1 0 378.519 2.728 20 0 GFADRO COC(=O)[C@H](OC(=O)COC1CC[NH+](C)CC1)c1ccc(Cl)c(Cl)c1 ZINC000923788586 664637974 /nfs/dbraw/zinc/63/79/74/664637974.db2.gz NNZNIRPDVMZSAH-MRXNPFEDSA-N 1 0 390.263 2.862 20 0 GFADRO C[NH+](C)CC1(c2nc(CC(=O)Nc3ccccc3Br)no2)CC1 ZINC000924006956 664644131 /nfs/dbraw/zinc/64/41/31/664644131.db2.gz RJVCXRNPIRJIOZ-UHFFFAOYSA-N 1 0 379.258 2.607 20 0 GFADRO Brc1cnc2[nH]cc(-c3noc([C@H]4C[N@@H+]5CCC[C@H]5CO4)n3)c2c1 ZINC000924098913 664647186 /nfs/dbraw/zinc/64/71/86/664647186.db2.gz ZTTSYPZXNSXVDR-GXFFZTMASA-N 1 0 390.241 2.911 20 0 GFADRO C[C@H]([NH2+]C[C@@H](c1cccs1)N1CCCC1)C1CCN(S(C)(=O)=O)CC1 ZINC000924531812 664656933 /nfs/dbraw/zinc/65/69/33/664656933.db2.gz OMRAHFIBEDSHID-RDJZCZTQSA-N 1 0 385.599 2.535 20 0 GFADRO COc1ccc([C@@H](C[NH2+][C@@H](C)C2(Br)CC2)N2CCOCC2)cc1 ZINC000924547731 664657082 /nfs/dbraw/zinc/65/70/82/664657082.db2.gz UCZYHRGCVRPTJS-WMLDXEAASA-N 1 0 383.330 2.974 20 0 GFADRO C[C@@H]([NH2+][C@@H](C)c1ccc(OC(F)F)cc1)C1CCN(S(C)(=O)=O)CC1 ZINC000924599340 664658836 /nfs/dbraw/zinc/65/88/36/664658836.db2.gz HQHALEHVSUASHE-QWHCGFSZSA-N 1 0 376.469 2.999 20 0 GFADRO CCON1CCC([NH2+]Cc2nnc3c(Cl)cc(C(F)(F)F)cn23)CC1 ZINC000924623206 664658969 /nfs/dbraw/zinc/65/89/69/664658969.db2.gz IUIPRNOKXDEBDT-UHFFFAOYSA-N 1 0 377.798 2.907 20 0 GFADRO Brc1cnc2c(c1)[C@H]([NH2+]Cc1ccc(-n3cncn3)nc1)CCC2 ZINC000924679452 664659536 /nfs/dbraw/zinc/65/95/36/664659536.db2.gz JOKRGFMLVVCYIJ-OAHLLOKOSA-N 1 0 385.269 2.987 20 0 GFADRO C[C@H](C[C@H]1CCC(=O)N1)[NH2+]C[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000924772448 664661392 /nfs/dbraw/zinc/66/13/92/664661392.db2.gz BMPOICKOQWLMDO-IIAWOOMASA-N 1 0 380.330 2.922 20 0 GFADRO C[C@@H]([NH2+]C[C@@H](O)COc1ccc2c(c1)OCO2)c1cccc(Br)n1 ZINC000924777393 664661712 /nfs/dbraw/zinc/66/17/12/664661712.db2.gz JWNATZAKVMSXAX-VXGBXAGGSA-N 1 0 395.253 2.663 20 0 GFADRO CCn1nc(C)c([C@H](C)[NH2+]CCCNC(=O)c2cccc(Br)c2)n1 ZINC000924891817 664663750 /nfs/dbraw/zinc/66/37/50/664663750.db2.gz RCKRHTYNJNNQQG-LBPRGKRZSA-N 1 0 394.317 2.840 20 0 GFADRO CCON1CCC([NH2+]CCC(=O)N(C)Cc2ccccc2Br)CC1 ZINC000925027342 664665512 /nfs/dbraw/zinc/66/55/12/664665512.db2.gz DCMZDYAJXNVSPJ-UHFFFAOYSA-N 1 0 398.345 2.803 20 0 GFADRO C[C@H]([NH2+][C@H]1CCN(CCN2CCOCC2)C1)c1csc(C(F)(F)F)c1 ZINC000925078263 664666295 /nfs/dbraw/zinc/66/62/95/664666295.db2.gz GRPXVKLOBDBTRN-ZFWWWQNUSA-N 1 0 377.476 2.824 20 0 GFADRO O=C(Nc1cc2c(cc1Cl)OCCO2)N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000925144568 664667287 /nfs/dbraw/zinc/66/72/87/664667287.db2.gz UVVBVEWIBPUIJN-GXTWGEPZSA-N 1 0 383.901 2.813 20 0 GFADRO O=C(N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12)N1CCC[C@@H](Cc2nccs2)C1 ZINC000925173787 664668040 /nfs/dbraw/zinc/66/80/40/664668040.db2.gz ZDKZUGGOMKZCLL-XHSDSOJGSA-N 1 0 380.583 2.687 20 0 GFADRO C[C@H]([NH2+]C[C@H](O)c1cc2ccccc2s1)C1CCN(S(C)(=O)=O)CC1 ZINC000925265194 664669397 /nfs/dbraw/zinc/66/93/97/664669397.db2.gz QLZMZFGVBRGIIS-BBRMVZONSA-N 1 0 382.551 2.584 20 0 GFADRO C[N@@H+]1CCC[C@H](N2C(=O)N[C@@H](c3ccc(Br)c(Cl)c3)C2=O)C1 ZINC000925290849 664669890 /nfs/dbraw/zinc/66/98/90/664669890.db2.gz FLDSGBKAOOSPOG-GWCFXTLKSA-N 1 0 386.677 2.790 20 0 GFADRO CC[N@@H+]1CCC[C@@H](N2C(=O)[C@@H]3Cc4c(Br)cccc4CN3C2=O)C1 ZINC000925301230 664670176 /nfs/dbraw/zinc/67/01/76/664670176.db2.gz ZYIYPHGICFPIAG-CJNGLKHVSA-N 1 0 392.297 2.622 20 0 GFADRO O=C1NCC2(CCOCC2)[C@H]1[NH2+]CCc1cc(Cl)ccc1Br ZINC000925576431 664673275 /nfs/dbraw/zinc/67/32/75/664673275.db2.gz LLQNXYKDNNXPSR-AWEZNQCLSA-N 1 0 387.705 2.530 20 0 GFADRO C[C@H]([NH3+])[C@@H](NC[C@@H](O)COc1ccccc1Br)c1ccccc1 ZINC000925585031 664673416 /nfs/dbraw/zinc/67/34/16/664673416.db2.gz RKLGFUUEMVHVQD-JCKWVBRZSA-N 1 0 379.298 2.867 20 0 GFADRO Cn1ncc(I)c1CN[C@@H](CCC[NH3+])c1ccccc1 ZINC000925727476 664674243 /nfs/dbraw/zinc/67/42/43/664674243.db2.gz FMQJTRLNMQVRKO-AWEZNQCLSA-N 1 0 384.265 2.595 20 0 GFADRO COc1ccc([C@@H](NCc2cn(C)nc2Br)[C@H]2CCC[NH2+]2)cc1 ZINC000925808075 664675276 /nfs/dbraw/zinc/67/52/76/664675276.db2.gz XGPBEQOMHSWUKU-HZPDHXFCSA-N 1 0 379.302 2.774 20 0 GFADRO CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]C[C@@]2(C(F)(F)F)CCCN2)cc1 ZINC000925856047 664676168 /nfs/dbraw/zinc/67/61/68/664676168.db2.gz JCVLMHQXIZWORV-SWLSCSKDSA-N 1 0 379.448 2.783 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)NC[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925908043 664677310 /nfs/dbraw/zinc/67/73/10/664677310.db2.gz CEGPVGBSLGTSJA-ZDUSSCGKSA-N 1 0 396.285 2.564 20 0 GFADRO [NH3+]CC[C@H]1CCN(C(=O)Nc2cc(F)c(I)c(F)c2)C1 ZINC000925992561 664678747 /nfs/dbraw/zinc/67/87/47/664678747.db2.gz JAPQIUMQPBZIQF-QMMMGPOBSA-N 1 0 395.191 2.772 20 0 GFADRO [NH3+]CC[C@@H]1CCN(C(=O)Nc2cc(F)c(F)cc2I)C1 ZINC000926047349 664679934 /nfs/dbraw/zinc/67/99/34/664679934.db2.gz UOIRUWFXRDOZDA-MRVPVSSYSA-N 1 0 395.191 2.772 20 0 GFADRO COc1cc(NC(=O)NCCCCCN2CC[NH2+]CC2)ccc1Br ZINC000926049933 664680036 /nfs/dbraw/zinc/68/00/36/664680036.db2.gz PQJHOPBYYOWXPT-UHFFFAOYSA-N 1 0 399.333 2.655 20 0 GFADRO [NH3+][C@]1(CO)CCCN(C(=O)Nc2cc(Br)c(F)cc2Cl)C1 ZINC000926058007 664680305 /nfs/dbraw/zinc/68/03/05/664680305.db2.gz FSTGZSVWMYDNOY-CYBMUJFWSA-N 1 0 380.645 2.559 20 0 GFADRO Cc1ccc(NC(=O)N2CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C2)c(Br)n1 ZINC000926078094 664680995 /nfs/dbraw/zinc/68/09/95/664680995.db2.gz NZVWGRZRFJPPDT-BDAKNGLRSA-N 1 0 381.196 2.896 20 0 GFADRO Cc1nc(Br)ccc1NC(=O)N1CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000926082203 664681276 /nfs/dbraw/zinc/68/12/76/664681276.db2.gz FSEPKXVZAHLJJD-BDAKNGLRSA-N 1 0 381.196 2.896 20 0 GFADRO COc1cc(Br)cc(NC(=O)N[C@@H]2C[NH2+]CC3(CCOCC3)C2)c1 ZINC000926086347 664681439 /nfs/dbraw/zinc/68/14/39/664681439.db2.gz XSKSCVJWTYAQNR-AWEZNQCLSA-N 1 0 398.301 2.738 20 0 GFADRO Cc1cccc(NC(=O)NC[C@@H]2CC3(CC[NH2+]CC3)C(=O)O2)c1Br ZINC000926092784 664681570 /nfs/dbraw/zinc/68/15/70/664681570.db2.gz FXJAKUQERJPECH-LBPRGKRZSA-N 1 0 396.285 2.564 20 0 GFADRO [NH3+][C@H]1CN(C(=O)Nc2nc(C3CCOCC3)cs2)CC[C@H]1C(F)(F)F ZINC000926113894 664682144 /nfs/dbraw/zinc/68/21/44/664682144.db2.gz BWKCOAHBBGLYDK-MNOVXSKESA-N 1 0 378.420 2.781 20 0 GFADRO [NH3+]C[C@@H]1CC2(CO1)CCN(C(=O)Nc1nc(CC(F)(F)F)cs1)CC2 ZINC000926131465 664682548 /nfs/dbraw/zinc/68/25/48/664682548.db2.gz YRVKUPCHWGKYIQ-NSHDSACASA-N 1 0 378.420 2.610 20 0 GFADRO CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)c1cccc(Br)c1F)C2 ZINC000926152220 664683064 /nfs/dbraw/zinc/68/30/64/664683064.db2.gz GFCZVNZCSUMLFB-DEICHXMPSA-N 1 0 399.304 2.798 20 0 GFADRO Cc1cc(C(=O)N[C@@H]2C[C@@]3(C[N@@H+](C)[C@H]3C(C)C)C[C@H]2O)ccc1Br ZINC000926164416 664683472 /nfs/dbraw/zinc/68/34/72/664683472.db2.gz LYGUDHARZHPLMF-VXNCWWDNSA-N 1 0 395.341 2.967 20 0 GFADRO CC1(C)CN(C(=O)Nc2ccc(I)cc2F)C[C@H]1[NH3+] ZINC000926172970 664683951 /nfs/dbraw/zinc/68/39/51/664683951.db2.gz HQBFOLQUIFCNQM-LLVKDONJSA-N 1 0 377.201 2.631 20 0 GFADRO C[N@@H+]1CC[C@@](O)(CN[C@@H](c2ccc(Br)cc2)c2cccnc2)C1 ZINC000926172266 664683971 /nfs/dbraw/zinc/68/39/71/664683971.db2.gz CJVMLNIGHOOMBS-ZWKOTPCHSA-N 1 0 376.298 2.590 20 0 GFADRO C[NH2+][C@H]1CCN(C(=O)Nc2ccc(I)c(Cl)c2)C1 ZINC000926221039 664684948 /nfs/dbraw/zinc/68/49/48/664684948.db2.gz YOHYBXYYCFDQID-VIFPVBQESA-N 1 0 379.629 2.770 20 0 GFADRO CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)c1ccc(Br)c(F)c1)C2 ZINC000926177326 664684141 /nfs/dbraw/zinc/68/41/41/664684141.db2.gz UXTSKFUVSGBFPC-KONPQCLYSA-N 1 0 399.304 2.798 20 0 GFADRO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NC(=O)c3c(Cl)cncc3Cl)C2)[C@@H]1C(C)C ZINC000926241055 664685114 /nfs/dbraw/zinc/68/51/14/664685114.db2.gz LODKPGSOOKVYGR-DEICHXMPSA-N 1 0 386.323 2.988 20 0 GFADRO CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NC(=O)c3cc(Cl)nc(Cl)c3)C2)[C@H]1C(C)C ZINC000926262744 664685787 /nfs/dbraw/zinc/68/57/87/664685787.db2.gz QBHZMTOVAZRFMV-ZHCAMHROSA-N 1 0 386.323 2.988 20 0 GFADRO OC[C@H](C[NH2+][C@H]1CCOC12CCOCC2)Cc1ccc(Br)cc1 ZINC000926281783 664686073 /nfs/dbraw/zinc/68/60/73/664686073.db2.gz BATSWWMLOBDNQC-RDJZCZTQSA-N 1 0 384.314 2.528 20 0 GFADRO O=S(=O)(NCCC[NH2+][C@H](C1CCC1)[C@@H]1CCOC1)c1ccccc1Cl ZINC000926353325 664688405 /nfs/dbraw/zinc/68/84/05/664688405.db2.gz KOEXKXGUTNSWST-CRAIPNDOSA-N 1 0 386.945 2.803 20 0 GFADRO CCc1nnc(NC(=O)[C@H](C)[C@@H](C)[NH2+][C@@H](C)C2(Br)CC2)s1 ZINC000926419575 664689725 /nfs/dbraw/zinc/68/97/25/664689725.db2.gz PXURMJLJHLOPCG-BBBLOLIVSA-N 1 0 375.336 2.969 20 0 GFADRO C[C@H]([NH2+]CCOc1ccc(F)c(Cl)c1)C1CCN(S(C)(=O)=O)CC1 ZINC000926502142 664690858 /nfs/dbraw/zinc/69/08/58/664690858.db2.gz QVGXHYQNZNHBRC-LBPRGKRZSA-N 1 0 378.897 2.508 20 0 GFADRO Cc1c(Br)cccc1C[C@@H](CO)C[NH2+][C@H]1CCOC12CCOCC2 ZINC000926543435 664692164 /nfs/dbraw/zinc/69/21/64/664692164.db2.gz LVNIAMMXRXOJBA-QAPCUYQASA-N 1 0 398.341 2.836 20 0 GFADRO CC(C)(C)OC(=O)N[C@H]1C[C@H]([NH2+]CCCCS(C)(=O)=O)CC(C)(C)C1 ZINC000926614274 664693968 /nfs/dbraw/zinc/69/39/68/664693968.db2.gz KRBCDXDMMLJJPZ-GJZGRUSLSA-N 1 0 376.563 2.873 20 0 GFADRO C[C@H]([NH2+]Cc1cc(Cl)cc(I)c1)c1cnnn1C ZINC000926612134 664694035 /nfs/dbraw/zinc/69/40/35/664694035.db2.gz YPEURGRMVARWLI-QMMMGPOBSA-N 1 0 376.629 2.924 20 0 GFADRO CCO[C@@H](CNC(=O)N(C)[C@H](CO)c1cccc(Cl)c1Cl)C[NH+](C)C ZINC000926848765 664697774 /nfs/dbraw/zinc/69/77/74/664697774.db2.gz VUJFRNAOIYMWQL-SWLSCSKDSA-N 1 0 392.327 2.635 20 0 GFADRO CCO[C@H](CNC(=O)N1CCC[C@@H]1c1cncc(Br)c1)C[NH+](C)C ZINC000926849005 664697799 /nfs/dbraw/zinc/69/77/99/664697799.db2.gz FTAIBLPGRLFBPL-HZPDHXFCSA-N 1 0 399.333 2.657 20 0 GFADRO C[C@H]([NH2+]CC1(O)CCC2(CC1)OCCO2)c1nc(Br)ccc1F ZINC000926900578 664698666 /nfs/dbraw/zinc/69/86/66/664698666.db2.gz NZKORIHHIVHZPA-NSHDSACASA-N 1 0 389.265 2.682 20 0 GFADRO COc1cc([C@H](C)[NH2+]CCc2nc3c(s2)CCC3)ccc1S(C)(=O)=O ZINC000926933202 664699252 /nfs/dbraw/zinc/69/92/52/664699252.db2.gz FCJUQMBJHDLPDK-LBPRGKRZSA-N 1 0 380.535 2.937 20 0 GFADRO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]C[C@H]1C[C@@H]2COC[C@@H]2O1 ZINC000926947895 664699343 /nfs/dbraw/zinc/69/93/43/664699343.db2.gz UEDUIYIKGKGCSK-BHTHQVBYSA-N 1 0 383.286 2.560 20 0 GFADRO CCO[C@H](CN[C@H](c1ccc(Br)cc1)c1cncnc1)C[NH+](C)C ZINC000926958922 664699525 /nfs/dbraw/zinc/69/95/25/664699525.db2.gz IOINSAGKWKVCOI-QZTJIDSGSA-N 1 0 393.329 2.885 20 0 GFADRO Cc1c([C@@H](C)[NH2+]CC[C@H]2CNC(=O)C2)nnn1-c1cccc(Br)c1 ZINC000926990132 664701708 /nfs/dbraw/zinc/70/17/08/664701708.db2.gz ZVNPDEZGGUHKBN-DGCLKSJQSA-N 1 0 392.301 2.515 20 0 GFADRO C[C@H]([NH2+]C[C@@H](O)CS(C)(=O)=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000927025695 664702464 /nfs/dbraw/zinc/70/24/64/664702464.db2.gz GXFOGIRVJQKOIF-QPUJVOFHSA-N 1 0 393.349 2.780 20 0 GFADRO CC[C@H]([NH2+]C[C@@H](O)CS(C)(=O)=O)c1ccc(Br)cc1Cl ZINC000927028722 664702690 /nfs/dbraw/zinc/70/26/90/664702690.db2.gz YFPPIKWLQBTKML-MFKMUULPSA-N 1 0 384.723 2.549 20 0 GFADRO Brc1ccc([C@H]([NH2+]CCO[C@H]2CCOC2)c2cncnc2)cc1 ZINC000927079449 664703095 /nfs/dbraw/zinc/70/30/95/664703095.db2.gz DCJYFOSIZVCHOF-IRXDYDNUSA-N 1 0 378.270 2.724 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCC2(n3cc(Br)cn3)CC2)[C@@H](C)C1 ZINC000927107839 664704029 /nfs/dbraw/zinc/70/40/29/664704029.db2.gz LVRFKUNAJCCCIJ-DZGCQCFKSA-N 1 0 398.349 2.506 20 0 GFADRO Cn1nccc1[C@H](O)C[NH2+][C@@H](c1ccc(Br)cc1)[C@@H]1CCCO1 ZINC000927128921 664704954 /nfs/dbraw/zinc/70/49/54/664704954.db2.gz FKGHHHXHNDWGKA-IKGGRYGDSA-N 1 0 380.286 2.726 20 0 GFADRO C[C@H](CCc1ccc(I)cc1)[NH2+]C[C@H](O)c1ccnn1C ZINC000927133581 664705153 /nfs/dbraw/zinc/70/51/53/664705153.db2.gz ZRTKFWPXQPMXPC-WBMJQRKESA-N 1 0 399.276 2.669 20 0 GFADRO C[NH2+]CCN(C(=O)C(=O)Nc1ccccc1SCC(F)(F)F)C(C)C ZINC000927863711 664716926 /nfs/dbraw/zinc/71/69/26/664716926.db2.gz LXPFUMNPJXOKEN-UHFFFAOYSA-N 1 0 377.432 2.736 20 0 GFADRO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC[C@H]1C[NH3+] ZINC000927893189 664717482 /nfs/dbraw/zinc/71/74/82/664717482.db2.gz LXEUVEBTXRCJBX-ZJUUUORDSA-N 1 0 377.794 2.741 20 0 GFADRO Cc1[nH]c(=O)c(Br)cc1C(=O)N[C@H](CC[NH+](C)C)c1cccnc1 ZINC000928831447 664740546 /nfs/dbraw/zinc/74/05/46/664740546.db2.gz NDTJFXBJUYMUCB-OAHLLOKOSA-N 1 0 393.285 2.676 20 0 GFADRO CC(C)[NH+]1CCC(NC(=O)c2cc(Br)c3nccnc3c2)CC1 ZINC000929434995 664752331 /nfs/dbraw/zinc/75/23/31/664752331.db2.gz YNUPDDBCXQXQHA-UHFFFAOYSA-N 1 0 377.286 2.995 20 0 GFADRO CC(C)(O)C[NH+]1CCN(CCCCOc2ccc(Br)cc2)CC1 ZINC000929492275 664753342 /nfs/dbraw/zinc/75/33/42/664753342.db2.gz DZGQUNVHCLHSNY-UHFFFAOYSA-N 1 0 385.346 2.997 20 0 GFADRO O=C(Nc1ccc(F)cc1Br)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000929737747 664756933 /nfs/dbraw/zinc/75/69/33/664756933.db2.gz KYJHMJMMVLVGSE-CABCVRRESA-N 1 0 386.265 2.651 20 0 GFADRO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(Cc2cccc(F)c2Br)CC1 ZINC000930073218 664762127 /nfs/dbraw/zinc/76/21/27/664762127.db2.gz XHNUFZLDMKYMJS-HNNXBMFYSA-N 1 0 384.293 2.502 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)c1cc(=O)[nH]cc1Br)c1ccc(F)cc1 ZINC000930261904 664765539 /nfs/dbraw/zinc/76/55/39/664765539.db2.gz BXBDEGQCLCGDFG-CQSZACIVSA-N 1 0 382.233 2.722 20 0 GFADRO C[N@@H+]1C[C@@H]2CN(C(=O)Nc3ccc([S@@](=O)C(F)(F)F)cc3)C[C@]2(C)C1 ZINC000930266699 664765678 /nfs/dbraw/zinc/76/56/78/664765678.db2.gz NONUIEFXIQSUKH-NEKPFDEYSA-N 1 0 375.416 2.729 20 0 GFADRO C[C@H](CCc1ccc(Br)cc1)NC(=O)COC1CC[NH+](C)CC1 ZINC000930495510 664771821 /nfs/dbraw/zinc/77/18/21/664771821.db2.gz ZAKHXIUMSHPCAA-CQSZACIVSA-N 1 0 383.330 2.997 20 0 GFADRO C[C@@H]([NH2+]CCO[C@@H]1CCOC1)c1ccc(Br)cc1OCCCO ZINC000930531890 664772368 /nfs/dbraw/zinc/77/23/68/664772368.db2.gz NXIFVIRLJBTZDX-UKRRQHHQSA-N 1 0 388.302 2.666 20 0 GFADRO COc1cc(NC(=O)N2CC[C@@H]3C[N@H+](C)C[C@@H]32)cc(OC)c1Br ZINC000930712169 664776909 /nfs/dbraw/zinc/77/69/09/664776909.db2.gz SKXSPZGCDSLIJV-PWSUYJOCSA-N 1 0 384.274 2.634 20 0 GFADRO Cc1cccc(NC(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)c1Br ZINC000930884579 664780059 /nfs/dbraw/zinc/78/00/59/664780059.db2.gz FVMBRABRKOQCOV-CABCVRRESA-N 1 0 382.302 2.820 20 0 GFADRO C[C@@H]1CC[C@@H](C(N)=O)[C@H](C)[N@@H+]1Cc1nc(-c2cccc(Br)c2)no1 ZINC000930914809 664780988 /nfs/dbraw/zinc/78/09/88/664780988.db2.gz JFNQJMFBXLASAC-UHIISALHSA-N 1 0 393.285 2.973 20 0 GFADRO CC(C)[N@@H+]1CC[C@H](CNC(=O)[C@](C)(O)c2ccc(F)c(Br)c2)C1 ZINC000930945917 664781708 /nfs/dbraw/zinc/78/17/08/664781708.db2.gz ROWLHUBDUUHDPU-SJKOYZFVSA-N 1 0 387.293 2.642 20 0 GFADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)c1cncc(C=O)c1 ZINC000930980881 664782324 /nfs/dbraw/zinc/78/23/24/664782324.db2.gz QIMLTAOXZXJGGX-UHFFFAOYSA-N 1 0 390.281 2.861 20 0 GFADRO Brc1ccc(OCCCC[N@@H+]2CCO[C@H](Cn3ccnn3)C2)cc1 ZINC000931057194 664784195 /nfs/dbraw/zinc/78/41/95/664784195.db2.gz CAKIKKNBHPHTRN-KRWDZBQOSA-N 1 0 395.301 2.601 20 0 GFADRO CC(=O)NCCCCC[NH2+][C@@]1(CO)CCc2cc(Br)ccc2C1 ZINC000931175358 664787569 /nfs/dbraw/zinc/78/75/69/664787569.db2.gz JOUKBRLSMLNRGA-SFHVURJKSA-N 1 0 383.330 2.565 20 0 GFADRO C[NH+](C)CCOc1cccc(NC(=O)c2cc(=O)[nH]cc2Br)c1 ZINC000931264683 664789856 /nfs/dbraw/zinc/78/98/56/664789856.db2.gz KNQGJAURTDNVLE-UHFFFAOYSA-N 1 0 380.242 2.742 20 0 GFADRO C[C@@H]1C[C@H](c2ccc(Br)cc2)C[N@@H+]1C[C@H](O)C[C@]1(O)CCOC1 ZINC000931268014 664789860 /nfs/dbraw/zinc/78/98/60/664789860.db2.gz YGCYRFLLSIRZSN-AETAKHFUSA-N 1 0 384.314 2.529 20 0 GFADRO CN(Cc1ccccc1Br)C(=O)CN1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1 ZINC000931305217 664791044 /nfs/dbraw/zinc/79/10/44/664791044.db2.gz VVOOOSQHLLTTJB-RTBURBONSA-N 1 0 394.357 2.681 20 0 GFADRO CN(Cc1ccccc1Br)C(=O)CN1C[C@]2(C)C[N@H+](C)C[C@]2(C)C1 ZINC000931305215 664791087 /nfs/dbraw/zinc/79/10/87/664791087.db2.gz VVOOOSQHLLTTJB-KDURUIRLSA-N 1 0 394.357 2.681 20 0 GFADRO C[C@@H](C(=O)NCC1CC[NH+](C)CC1)c1ccc(I)cc1 ZINC000931431328 664794673 /nfs/dbraw/zinc/79/46/73/664794673.db2.gz KVANTFSLWDCFJJ-GFCCVEGCSA-N 1 0 386.277 2.853 20 0 GFADRO COc1ccc(S(=O)(=O)C(F)(F)F)cc1NC(=O)CC[NH2+]C(C)(C)C ZINC000931446515 664795263 /nfs/dbraw/zinc/79/52/63/664795263.db2.gz KZZFRBJOWZGLRX-UHFFFAOYSA-N 1 0 382.404 2.705 20 0 GFADRO C[NH+](C)CC1(O)CCN(Cc2cc(Br)ccc2OC(F)F)CC1 ZINC000931483472 664796180 /nfs/dbraw/zinc/79/61/80/664796180.db2.gz BFLOSQVARFUHOI-UHFFFAOYSA-N 1 0 393.272 2.939 20 0 GFADRO C[C@H](C(=O)Nc1ccc(Br)cc1)N1CC[NH+](CCCCCO)CC1 ZINC000931497277 664796472 /nfs/dbraw/zinc/79/64/72/664796472.db2.gz MNSNLWRETRAUOV-OAHLLOKOSA-N 1 0 398.345 2.556 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)CCC[NH2+][C@H]1C(=O)NCC1(C)C ZINC000931652458 664801793 /nfs/dbraw/zinc/80/17/93/664801793.db2.gz GOXMHCOHCHHHES-INIZCTEOSA-N 1 0 396.329 2.899 20 0 GFADRO O=C(c1ncc(Br)cn1)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000931757999 664804470 /nfs/dbraw/zinc/80/44/70/664804470.db2.gz DAHGJYCAMWKTNL-UHFFFAOYSA-N 1 0 381.318 2.967 20 0 GFADRO Cn1cc(NC(=O)NC[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)c(Br)n1 ZINC000931876600 664806727 /nfs/dbraw/zinc/80/67/27/664806727.db2.gz MHUTWNRGJZPODA-KGLIPLIRSA-N 1 0 392.301 2.650 20 0 GFADRO Cc1nc2sccn2c(=O)c1CC[N@@H+]1CC[C@]2(CC(F)(F)C2(F)F)C1 ZINC000931913221 664807245 /nfs/dbraw/zinc/80/72/45/664807245.db2.gz LBBMURPNGLYIAK-AWEZNQCLSA-N 1 0 375.391 2.973 20 0 GFADRO C[C@]1([C@H]2CCC[N@H+](C[C@@H](O)c3cccc(Br)c3)C2)COC(=O)N1 ZINC000932030221 664809229 /nfs/dbraw/zinc/80/92/29/664809229.db2.gz RBAYFEPVZQIQLY-YSVLISHTSA-N 1 0 383.286 2.693 20 0 GFADRO COC1CC[NH+](C(C)(C)CNC(=O)c2nc(C)ccc2Br)CC1 ZINC000932263032 664817438 /nfs/dbraw/zinc/81/74/38/664817438.db2.gz ABOQEOKKMMJFBW-UHFFFAOYSA-N 1 0 384.318 2.772 20 0 GFADRO CC[NH+]1CCN([C@@H](C)CNC(=O)c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000932703594 664832203 /nfs/dbraw/zinc/83/22/03/664832203.db2.gz PUVFDTXUJNDJHC-NSHDSACASA-N 1 0 378.826 2.510 20 0 GFADRO O=C(C[C@@H]1C(=O)Nc2c1cccc2Br)N1CC[NH+](C2CCC2)CC1 ZINC000932763029 664835211 /nfs/dbraw/zinc/83/52/11/664835211.db2.gz ZOUFHWCWOJQUQQ-AWEZNQCLSA-N 1 0 392.297 2.572 20 0 GFADRO O=C1N[C@H](C2CC[NH+](C[C@H](O)COc3ccc(Cl)c(Cl)c3)CC2)CO1 ZINC000932784453 664838349 /nfs/dbraw/zinc/83/83/49/664838349.db2.gz KNHAQJICFFTJAU-LRDDRELGSA-N 1 0 389.279 2.554 20 0 GFADRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)c1cc2cc(Br)cnc2n1C ZINC000932907884 664842622 /nfs/dbraw/zinc/84/26/22/664842622.db2.gz LJEOXPBMDAIUNZ-LBPRGKRZSA-N 1 0 379.302 2.750 20 0 GFADRO COc1ncc(NC(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c(C)c1Br ZINC000932941794 664843609 /nfs/dbraw/zinc/84/36/09/664843609.db2.gz NHHGWTSPVBKTMI-NEPJUHHUSA-N 1 0 383.290 2.909 20 0 GFADRO O=C(NC[C@H]1CCC[N@H+]1CCCO)Nc1c(F)ccc(Br)c1F ZINC000933302688 664857357 /nfs/dbraw/zinc/85/73/57/664857357.db2.gz ZVONJGYOGRGUMZ-SNVBAGLBSA-N 1 0 392.244 2.696 20 0 GFADRO Cc1ccc(Br)c2[nH]c(C(=O)N[C@@H](C)[C@H]3C[N@H+](C)CCN3C)cc21 ZINC000933388152 664861555 /nfs/dbraw/zinc/86/15/55/664861555.db2.gz RDUINDQDUSGCMX-BLLLJJGKSA-N 1 0 393.329 2.603 20 0 GFADRO C[C@@H]1C[C@H](N(C)C(=O)C[C@H]2C(=O)Nc3ccc(Br)cc32)CC[N@@H+]1C ZINC000933447172 664865084 /nfs/dbraw/zinc/86/50/84/664865084.db2.gz VBLYNPVDKSLRJV-UXIGCNINSA-N 1 0 394.313 2.816 20 0 GFADRO C[C@H](NC(=O)C[C@H]1C(=O)Nc2c1cccc2Br)C(C)(C)C[NH+](C)C ZINC000933463470 664865785 /nfs/dbraw/zinc/86/57/85/664865785.db2.gz LFZDPRBDQBZFHD-WCQYABFASA-N 1 0 396.329 2.967 20 0 GFADRO C[C@@H](c1ncc(-c2ccc(Cl)cc2)o1)[N@@H+]1C[C@@H](C)[C@H](CS(N)(=O)=O)C1 ZINC000933701372 664873591 /nfs/dbraw/zinc/87/35/91/664873591.db2.gz CAMGHGOPTMZFMV-DYEKYZERSA-N 1 0 383.901 2.912 20 0 GFADRO COc1ccc(C[N@@H+]2C[C@@H]3CCC[C@]3(C(N)=O)C2)c(Br)c1OC ZINC000933758498 664877435 /nfs/dbraw/zinc/87/74/35/664877435.db2.gz AZGMYHCCIBIQKH-SJCJKPOMSA-N 1 0 383.286 2.554 20 0 GFADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@](C)(O)c2ccc(F)c(Br)c2)C1 ZINC000933799148 664878407 /nfs/dbraw/zinc/87/84/07/664878407.db2.gz WIDQPABZAPYDEV-SJCJKPOMSA-N 1 0 387.293 2.596 20 0 GFADRO C[C@H]1CCN(C(=O)c2ncc(Br)cn2)CC[N@@H+]1Cc1ccccc1 ZINC000933821519 664878966 /nfs/dbraw/zinc/87/89/66/664878966.db2.gz NRUUGCLQWKJODZ-AWEZNQCLSA-N 1 0 389.297 2.976 20 0 GFADRO Cn1cc([C@H]2CSCCCN2CC(=O)NCc2cccc(Cl)c2)cn1 ZINC000933978365 664883338 /nfs/dbraw/zinc/88/33/38/664883338.db2.gz MDUXBWFKXNIAMM-QGZVFWFLSA-N 1 0 378.929 2.870 20 0 GFADRO CC(C)c1ncc(Br)c(C(=O)NC[C@]2([NH+](C)C)CCSC2)n1 ZINC000934079227 664889607 /nfs/dbraw/zinc/88/96/07/664889607.db2.gz NFVXBIYEOHGPGO-OAHLLOKOSA-N 1 0 387.347 2.530 20 0 GFADRO O=C(c1ncc(C(F)(F)F)cc1Cl)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000934218679 664892780 /nfs/dbraw/zinc/89/27/80/664892780.db2.gz AMQSIPHASVYRKR-LLVKDONJSA-N 1 0 377.794 2.548 20 0 GFADRO Cc1c(Br)cncc1NC(=O)N(CC[NH+](C)C)C[C@H]1CCCO1 ZINC000934252956 664894141 /nfs/dbraw/zinc/89/41/41/664894141.db2.gz RPVQJYFREVVYPY-CYBMUJFWSA-N 1 0 385.306 2.727 20 0 GFADRO O=C(CC[N@H+]1CC[C@@H]2[C@H]1CCCN2CCO)Nc1c(Cl)cccc1Cl ZINC000934265802 664895551 /nfs/dbraw/zinc/89/55/51/664895551.db2.gz WKJGGECICWCLIJ-HZPDHXFCSA-N 1 0 386.323 2.853 20 0 GFADRO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[NH2+][C@@H]1CCOC12CCOCC2 ZINC000934405129 664905845 /nfs/dbraw/zinc/90/58/45/664905845.db2.gz HLOIFEAFQWSEHN-MRXNPFEDSA-N 1 0 387.307 2.880 20 0 GFADRO COc1ccc(C[NH2+][C@@H]2CCOC23CCOCC3)c(Br)c1OC ZINC000934408273 664906142 /nfs/dbraw/zinc/90/61/42/664906142.db2.gz OBVQZYKQDOYFJD-CQSZACIVSA-N 1 0 386.286 2.894 20 0 GFADRO O[C@@H](C[NH2+][C@H]1CCOC12CCOCC2)COc1ccc(Cl)cc1Cl ZINC000934410550 664906218 /nfs/dbraw/zinc/90/62/18/664906218.db2.gz RLNAEIBRCDECLP-BBRMVZONSA-N 1 0 376.280 2.661 20 0 GFADRO Brc1ccc(-c2nnc(C[NH2+][C@@H]3CCOC34CCOCC4)o2)o1 ZINC000934411356 664906412 /nfs/dbraw/zinc/90/64/12/664906412.db2.gz XVWSOQCQSZVRCP-LLVKDONJSA-N 1 0 384.230 2.520 20 0 GFADRO CCNc1ccc(S(=O)(=O)C(F)F)cc1NC(=O)CC[NH2+]C(C)(C)C ZINC000934808596 664923687 /nfs/dbraw/zinc/92/36/87/664923687.db2.gz JDXWYLOHLNCRQB-UHFFFAOYSA-N 1 0 377.457 2.831 20 0 GFADRO O=C(N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)C1(n2cc(Br)cn2)CC1 ZINC000935012567 664933747 /nfs/dbraw/zinc/93/37/47/664933747.db2.gz OAMKAFWJEMFZEQ-CJNGLKHVSA-N 1 0 393.329 2.610 20 0 GFADRO C[NH+]1CCC2(CCCN2C(=O)c2ccc3c(Br)cnn3c2)CC1 ZINC000935192124 664945242 /nfs/dbraw/zinc/94/52/42/664945242.db2.gz YWEYUPOHPFZPGA-UHFFFAOYSA-N 1 0 377.286 2.797 20 0 GFADRO C[NH+]1CCC(OCC(=O)Nc2nnc(Cc3ccc(Cl)cc3)s2)CC1 ZINC000935502206 664965717 /nfs/dbraw/zinc/96/57/17/664965717.db2.gz BEDFXUJTWRLNMD-UHFFFAOYSA-N 1 0 380.901 2.832 20 0 GFADRO COc1cc(Br)ccc1[C@H](C)NC(=O)COC1CC[NH+](C)CC1 ZINC000935583956 664971559 /nfs/dbraw/zinc/97/15/59/664971559.db2.gz LRYRKYCVFHFWSI-LBPRGKRZSA-N 1 0 385.302 2.746 20 0 GFADRO C[NH+](C)[C@@H]1CCCN(C(=O)c2cc(Br)c3nccnc3c2)CC1 ZINC000935652407 664978190 /nfs/dbraw/zinc/97/81/90/664978190.db2.gz PIARFFAWMGMEKQ-CYBMUJFWSA-N 1 0 377.286 2.949 20 0 GFADRO C[N@H+](Cc1cnc(Cl)s1)C1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1 ZINC000985544821 665019535 /nfs/dbraw/zinc/01/95/35/665019535.db2.gz HAJSWBGAGAHSSL-LEOABGAYSA-N 1 0 381.929 2.643 20 0 GFADRO CC[C@@H]1[C@@H](C(=O)N2CC[C@H](NC(=O)c3sccc3Cl)[C@H]2C)CC[N@@H+]1C ZINC000988475639 665020769 /nfs/dbraw/zinc/02/07/69/665020769.db2.gz AHNLIQAAWBPYOO-PAPYEOQZSA-N 1 0 383.945 2.851 20 0 GFADRO C[C@H]1CC[N@H+](CC(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2csc(Cl)c2)C3)C1 ZINC000996390712 665031619 /nfs/dbraw/zinc/03/16/19/665031619.db2.gz VCGOBQDAYXAMQV-ATGSNQNLSA-N 1 0 381.929 2.605 20 0 GFADRO C[C@@H]1CC[N@H+](CC(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2sccc2Cl)C3)C1 ZINC000997303046 665035497 /nfs/dbraw/zinc/03/54/97/665035497.db2.gz VMGDRIOLEDJBAA-UXOAXIEHSA-N 1 0 381.929 2.605 20 0 GFADRO C[C@@H]1CCC[N@@H+]1CC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cscc1Cl)C2 ZINC000997468352 665036481 /nfs/dbraw/zinc/03/64/81/665036481.db2.gz UHNZAJCIABMGLX-MPTQWLOMSA-N 1 0 381.929 2.748 20 0 GFADRO C[N@@H+]1CC[C@H](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)c2cc(Cl)cs2)C1 ZINC000998630517 665040503 /nfs/dbraw/zinc/04/05/03/665040503.db2.gz LMOWUFGUVPBTND-RZFFKMDDSA-N 1 0 381.929 2.605 20 0 GFADRO C[N@@H+]1CCCC[C@@H]1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1csc(Cl)c1)C2 ZINC001002610080 665055399 /nfs/dbraw/zinc/05/53/99/665055399.db2.gz YJKVDSZFILKCSE-APIJFGDWSA-N 1 0 381.929 2.748 20 0 GFADRO C[C@H]1CC[N@H+](CC(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cscc2Cl)C3)C1 ZINC001003449271 665060755 /nfs/dbraw/zinc/06/07/55/665060755.db2.gz OZJAQETVSSVRGD-OJDYBEQGSA-N 1 0 381.929 2.605 20 0 GFADRO C[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2ccc(Cl)s2)CC1 ZINC001003745596 665061928 /nfs/dbraw/zinc/06/19/28/665061928.db2.gz LVGPXKBPVQNAHE-MCIONIFRSA-N 1 0 381.929 2.605 20 0 GFADRO C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1csc(Cl)c1 ZINC001003868139 665062485 /nfs/dbraw/zinc/06/24/85/665062485.db2.gz VDZMCHFQPWVGEM-KBXIAJHMSA-N 1 0 381.929 2.748 20 0 GFADRO O=C([C@@H]1C[C@H]2CC[C@@H]1O2)N1CC[C@H]([NH2+]Cc2ccccc2Br)C1 ZINC001019413933 665073056 /nfs/dbraw/zinc/07/30/56/665073056.db2.gz ZWGRQHQKFYPJHB-HWMZRRJGSA-N 1 0 379.298 2.707 20 0 GFADRO Cc1cccc(I)c1C(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000120194699 677395839 /nfs/dbraw/zinc/39/58/39/677395839.db2.gz ANKBPFCOQNGSIY-VXGBXAGGSA-N 1 0 384.261 2.955 20 0 GFADRO Cn1ncc(Br)c1C[NH2+][C@H]1CCC[C@H]1CNC(=O)OC(C)(C)C ZINC000381928075 677406417 /nfs/dbraw/zinc/40/64/17/677406417.db2.gz QRJMCNBFLNYHDL-AAEUAGOBSA-N 1 0 387.322 2.966 20 0 GFADRO C[C@H](CNS(=O)(=O)c1c(Cl)nc2sccn21)[N@H+](C)Cc1ccccc1 ZINC000390782391 677408734 /nfs/dbraw/zinc/40/87/34/677408734.db2.gz TXKSBNJRYVHAPA-GFCCVEGCSA-N 1 0 398.941 2.848 20 0 GFADRO Fc1cccc(-c2cc(C(F)(F)N3CCN4CC[NH2+]C[C@@H]4C3)c(Cl)nn2)c1 ZINC001164399628 718844126 /nfs/dbraw/zinc/84/41/26/718844126.db2.gz CETDFOODRPALRW-CQSZACIVSA-N 1 0 397.832 2.575 20 0 GFADRO FC(F)(c1cc(Cl)nc(-c2ccncc2)n1)N1CCO[C@H]2C[NH2+]CC[C@@H]2C1 ZINC001164407787 718863788 /nfs/dbraw/zinc/86/37/88/718863788.db2.gz JXNNTSXSXYTZEW-KGLIPLIRSA-N 1 0 395.841 2.552 20 0 GFADRO COc1ccc2nc(C(F)(F)N3CCO[C@@H]4C[NH2+]CC[C@H]4C3)nc(Cl)c2c1 ZINC001164404957 718864789 /nfs/dbraw/zinc/86/47/89/718864789.db2.gz BWYVVRQQWMAZMR-XHDPSFHLSA-N 1 0 398.841 2.651 20 0 GFADRO CSc1cnc(Cl)c(C(F)(F)N2CCCO[C@]3(C[NH2+]CCOC3)C2)c1 ZINC001164423800 718916262 /nfs/dbraw/zinc/91/62/62/718916262.db2.gz JLIJFHLSSOLALV-OAHLLOKOSA-N 1 0 393.887 2.587 20 0 GFADRO CSc1cnc(Cl)c(C(F)(F)N2CCCO[C@@]3(C[NH2+]CCOC3)C2)c1 ZINC001164423799 718916430 /nfs/dbraw/zinc/91/64/30/718916430.db2.gz JLIJFHLSSOLALV-HNNXBMFYSA-N 1 0 393.887 2.587 20 0 GFADRO FC(F)(c1cnc(Cl)c(C2CC2)c1)N1CCCO[C@@]2(C[NH2+]CCOC2)C1 ZINC001164424109 718919788 /nfs/dbraw/zinc/91/97/88/718919788.db2.gz LIXQLAJNGIHVKZ-KRWDZBQOSA-N 1 0 387.858 2.743 20 0 GFADRO Cc1nc2c(n1-c1nc(Cl)nc3c1CN(Cc1ccccc1)C3)CC[NH2+]CC2 ZINC001164429957 718949341 /nfs/dbraw/zinc/94/93/41/718949341.db2.gz RCGBLXWOLCNAMK-UHFFFAOYSA-N 1 0 394.910 2.828 20 0 GFADRO CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@@H]2N1C(F)(F)c1ccc2nc(Cl)cnc2c1 ZINC001164619754 719014159 /nfs/dbraw/zinc/01/41/59/719014159.db2.gz WZSVHTUTUSPKEP-ONERCXAPSA-N 1 0 396.825 2.558 20 0 GFADRO CON(C)C(=O)c1ccnc(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1 ZINC001164630412 719103504 /nfs/dbraw/zinc/10/35/04/719103504.db2.gz WDTQBMVXAUPXPD-WOJBJXKFSA-N 1 0 380.492 2.816 20 0 GFADRO [NH3+]C1([C@H]2CN(C(F)(F)Cc3nc4c(ncnc4Cl)s3)C[C@@H]2CF)CC1 ZINC001164621171 719127315 /nfs/dbraw/zinc/12/73/15/719127315.db2.gz LNIUJSNGVXHONY-IUCAKERBSA-N 1 0 391.850 2.884 20 0 GFADRO C[NH+]1CCN(c2cccc(N3CCC(n4c5ccccc5[nH]c4=O)CC3)n2)CC1 ZINC001164623063 719129027 /nfs/dbraw/zinc/12/90/27/719129027.db2.gz QKVZEKIQBCMEDW-UHFFFAOYSA-N 1 0 392.507 2.730 20 0 GFADRO Cc1c(C)n(Cc2ccccc2)c2ncnc(N3C[C@@H]4OCC[N@@H+](C)[C@H]4C3)c12 ZINC001164673836 719439416 /nfs/dbraw/zinc/43/94/16/719439416.db2.gz UVISFKVBFVMKJS-OALUTQOASA-N 1 0 377.492 2.616 20 0 GFADRO COc1cccc(-c2nc3ccccc3c(N3C[C@@H]4[C@H](C3)OCC[N@@H+]4C)n2)c1 ZINC000583991272 719460879 /nfs/dbraw/zinc/46/08/79/719460879.db2.gz CTGSJTAFDQXWMR-UXHICEINSA-N 1 0 376.460 2.825 20 0 GFADRO CCc1cc2c(nc(Cl)nc2-n2nc(CN(C)C(C)C)c3c2C[NH2+]CC3)[nH]1 ZINC001164679809 719633433 /nfs/dbraw/zinc/63/34/33/719633433.db2.gz NXMMBQMLOZKQOV-UHFFFAOYSA-N 1 0 387.919 2.845 20 0 GFADRO COc1ccc(-c2ccc(-n3nc(CN(C)C(C)C)c4c3C[NH2+]CC4)nn2)cc1 ZINC001164679501 719638928 /nfs/dbraw/zinc/63/89/28/719638928.db2.gz DATRPTHAZQFWSV-UHFFFAOYSA-N 1 0 392.507 2.824 20 0 GFADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1ncnc3ccc(SC)cc31)CC2 ZINC001164689603 719752435 /nfs/dbraw/zinc/75/24/35/719752435.db2.gz IZCZWXMTVQEVRW-UHFFFAOYSA-N 1 0 385.537 2.533 20 0 GFADRO COC(=O)c1ccnc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)c1 ZINC001164701271 719886535 /nfs/dbraw/zinc/88/65/35/719886535.db2.gz MWGAUOGYKIUCNV-UHFFFAOYSA-N 1 0 387.505 2.801 20 0 GFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ncc(C(=O)OC)cc1Cl)C2 ZINC001164809285 720067809 /nfs/dbraw/zinc/06/78/09/720067809.db2.gz JFHQFYKEASPBBX-UZLBHIALSA-N 1 0 393.915 2.706 20 0 GFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(Cl)nc3[nH]cc(F)c31)C2 ZINC001164811366 720070218 /nfs/dbraw/zinc/07/02/18/720070218.db2.gz OADUBNBXORIBPS-YJYMSZOUSA-N 1 0 393.894 2.935 20 0 GFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cc(C(=O)OC)cc(Cl)n1)C2 ZINC001164815390 720076943 /nfs/dbraw/zinc/07/69/43/720076943.db2.gz YXIMBMVFWYGZCU-OXJNMPFZSA-N 1 0 393.915 2.706 20 0 GFADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(C)cc(C)n1)CC2 ZINC001164711218 720094684 /nfs/dbraw/zinc/09/46/84/720094684.db2.gz PRCVLZHECIEVAS-FQEVSTJZSA-N 1 0 381.524 2.996 20 0 GFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cncc(N3CCCCC3)n1)C2 ZINC001164816514 720146672 /nfs/dbraw/zinc/14/66/72/720146672.db2.gz ZTRIIDLBSPKIBK-KNQAVFIVSA-N 1 0 385.556 2.652 20 0 GFADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc3c(nn1)CCC3)CC2 ZINC001164714656 720152014 /nfs/dbraw/zinc/15/20/14/720152014.db2.gz XVUNORRCCHPBJI-FQEVSTJZSA-N 1 0 393.535 2.868 20 0 GFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ccc(-c3nc(C)no3)cn1)C2 ZINC001164813024 720174523 /nfs/dbraw/zinc/17/45/23/720174523.db2.gz BUOQFZDHONGOCJ-WIYYLYMNSA-N 1 0 383.496 2.625 20 0 GFADRO Cc1cc2c(ncnc2N2CCCn3c(=O)cc(C[N@@H+](C)C(C)C)nc3C2)s1 ZINC001164811308 720208877 /nfs/dbraw/zinc/20/88/77/720208877.db2.gz FVFMSOJWGUWQAT-UHFFFAOYSA-N 1 0 398.536 2.807 20 0 GFADRO Cc1cnc(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c(Cl)c1 ZINC001164827928 720296696 /nfs/dbraw/zinc/29/66/96/720296696.db2.gz YOAXYKFAVJLDGX-ZWKOTPCHSA-N 1 0 376.932 2.955 20 0 GFADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2ncc(F)cc2Cl)CC1 ZINC001164826035 720310720 /nfs/dbraw/zinc/31/07/20/720310720.db2.gz VADSFVWALHLIJB-SJORKVTESA-N 1 0 380.895 2.786 20 0 GFADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2ccc3c(n2)CCCC3)CC1 ZINC001164818640 720312546 /nfs/dbraw/zinc/31/25/46/720312546.db2.gz AXHWFZUQZFOCCB-LEWJYISDSA-N 1 0 382.552 2.872 20 0 GFADRO Cc1nc(N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc(C)c1Cl ZINC001164823346 720324985 /nfs/dbraw/zinc/32/49/85/720324985.db2.gz ASIBROZSZFOYPW-IAGOWNOFSA-N 1 0 391.947 2.658 20 0 GFADRO CN(C)C(=O)COC[C@@H]1CC[C@@H]2[C@@H](CC[N@@H+]2C(C)(C)c2ccnc(Cl)c2)O1 ZINC001164724931 720325347 /nfs/dbraw/zinc/32/53/47/720325347.db2.gz LTLDHTVJNVQXOV-GVDBMIGSSA-N 1 0 395.931 2.697 20 0 GFADRO Cc1cc2ccncc2nc1N1CC[C@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164821673 720348009 /nfs/dbraw/zinc/34/80/09/720348009.db2.gz BFZSGLRAKJQURR-RTWAWAEBSA-N 1 0 393.535 2.850 20 0 GFADRO Cc1nc(CN2CCN(C)C3(CCN(c4cc(C)c(C)c[nH+]4)CC3)C2=O)cs1 ZINC001164823716 720381569 /nfs/dbraw/zinc/38/15/69/720381569.db2.gz PUAZXWBJBSTLFN-UHFFFAOYSA-N 1 0 399.564 2.777 20 0 GFADRO COc1nc(-c2ccccc2)nc(N2CC[C@@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)n1 ZINC001164722479 720400334 /nfs/dbraw/zinc/40/03/34/720400334.db2.gz CSBGKZHEWNMCBF-RTBURBONSA-N 1 0 388.475 2.795 20 0 GFADRO CC(C)[N@H+]1[C@@H]2CCN(c3nccc(NC4CC4)n3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164837144 720505999 /nfs/dbraw/zinc/50/59/99/720505999.db2.gz NWKRNQJJMXTSNX-NZSAHSFTSA-N 1 0 381.528 2.625 20 0 GFADRO CCOC(=O)c1ccnc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c1 ZINC001164833870 720511923 /nfs/dbraw/zinc/51/19/23/720511923.db2.gz DSCJPHWODADYIK-VAMGGRTRSA-N 1 0 397.523 2.833 20 0 GFADRO C[NH+](C)C[C@H]1Cn2ccnc2CN(c2ncnc3c2ccn3C2CCCC2)C1 ZINC001164726786 720516852 /nfs/dbraw/zinc/51/68/52/720516852.db2.gz DUTWZKBZLZHOLQ-INIZCTEOSA-N 1 0 379.512 2.941 20 0 GFADRO CCOC(=O)c1cnc(Cl)c(C)c1N1Cc2nccn2C[C@@H](C[NH+](C)C)C1 ZINC001164727493 720517463 /nfs/dbraw/zinc/51/74/63/720517463.db2.gz HPLFCQJNLVBMMF-CQSZACIVSA-N 1 0 391.903 2.615 20 0 GFADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ncnc4cnccc43)CC[C@@H]21 ZINC001164835254 720518551 /nfs/dbraw/zinc/51/85/51/720518551.db2.gz JJPSNTNENHZZJW-UWVAXJGDSA-N 1 0 377.496 2.599 20 0 GFADRO Cc1cc2c(ncnc2N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)[nH]1 ZINC001164834909 720526702 /nfs/dbraw/zinc/52/67/02/720526702.db2.gz IEGFYEOSTJFQIJ-ZHALLVOQSA-N 1 0 379.512 2.841 20 0 GFADRO CC(C)[N@H+]1[C@@H]2CCN(c3cccc(Cl)[n+]3[O-])C[C@H]2C[C@H]1Cn1cccn1 ZINC001164835455 720530346 /nfs/dbraw/zinc/53/03/46/720530346.db2.gz HJNIRCSACUQUEX-IXDOHACOSA-N 1 0 375.904 2.548 20 0 GFADRO COc1cc(OC)nc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c1 ZINC001164843029 720543671 /nfs/dbraw/zinc/54/36/71/720543671.db2.gz ZOHFEENLPSFCIO-JENIJYKNSA-N 1 0 385.512 2.673 20 0 GFADRO CSc1nc2c(c(N3CCc4ncc(C[NH+]5CCCC5)n4CC3)n1)CCCC2 ZINC001164728893 720560724 /nfs/dbraw/zinc/56/07/24/720560724.db2.gz PGQRAINFVSPNAH-UHFFFAOYSA-N 1 0 398.580 2.932 20 0 GFADRO CC(C)[N@H+]1[C@@H]2CCN(c3nccc(C(F)F)n3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164835551 720586643 /nfs/dbraw/zinc/58/66/43/720586643.db2.gz BEMRRJWAOVRSAF-HLLBOEOZSA-N 1 0 376.455 2.989 20 0 GFADRO CC(C)Oc1nccnc1N1CC[C@@H]2[C@H](C[C@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164844122 720628669 /nfs/dbraw/zinc/62/86/69/720628669.db2.gz YUTLPAQGJAQNNU-GUDVDZBRSA-N 1 0 384.528 2.838 20 0 GFADRO Cc1cc(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)nc(-c2ccsc2)n1 ZINC001164737920 720780211 /nfs/dbraw/zinc/78/02/11/720780211.db2.gz DLNGVNLWVPHSSS-SJORKVTESA-N 1 0 394.504 2.645 20 0 GFADRO Cc1nc2ccoc2c(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164752580 720809425 /nfs/dbraw/zinc/80/94/25/720809425.db2.gz ZGEURAAWCBVLSK-JENIJYKNSA-N 1 0 393.495 2.502 20 0 GFADRO COCC[N@@H+]1CCO[C@H]2CN(c3cc4nc(Cl)cnc4cc3F)CC[C@@H]2C1 ZINC001164854465 720880416 /nfs/dbraw/zinc/88/04/16/720880416.db2.gz FHOYDNWTYJUGTP-ACJLOTCBSA-N 1 0 394.878 2.596 20 0 GFADRO FC(F)(c1cc(Cl)ncn1)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164869420 721041212 /nfs/dbraw/zinc/04/12/12/721041212.db2.gz SSHQJKKIFZTTPG-HUUCEWRRSA-N 1 0 395.841 2.550 20 0 GFADRO Cc1cccc(CN2C(=O)C[C@H]3[C@@H]2CCN3c2ccc(C[N@@H+](C)C3CC3)cn2)n1 ZINC001164766628 721055052 /nfs/dbraw/zinc/05/50/52/721055052.db2.gz FQQVBLUMUCONKP-SFTDATJTSA-N 1 0 391.519 2.759 20 0 GFADRO Clc1nc2ccoc2c(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164868418 721057509 /nfs/dbraw/zinc/05/75/09/721057509.db2.gz OJOZESPMWFXKRA-GJZGRUSLSA-N 1 0 385.855 2.751 20 0 GFADRO CSc1ncc(Cl)c(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164868194 721060107 /nfs/dbraw/zinc/06/01/07/721060107.db2.gz NOHTTYYOLFMJAF-HUUCEWRRSA-N 1 0 391.928 2.727 20 0 GFADRO Clc1nc2c(c(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)n1)CCCC2 ZINC001164871453 721062587 /nfs/dbraw/zinc/06/25/87/721062587.db2.gz YXBLTQYGMHVDIP-SJORKVTESA-N 1 0 399.926 2.884 20 0 GFADRO Cc1nc2ccccc2c(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164867823 721063672 /nfs/dbraw/zinc/06/36/72/721063672.db2.gz KTPPARGETNJTOM-MOPGFXCFSA-N 1 0 375.476 2.813 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(C(F)(F)c4cccc(Cl)n4)C[C@H]3C2)cn1 ZINC001164761578 721075549 /nfs/dbraw/zinc/07/55/49/721075549.db2.gz CAFBIECHUNTOPN-LSDHHAIUSA-N 1 0 381.858 2.972 20 0 GFADRO Cc1nc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)nc2ccccc12 ZINC001164862810 721079484 /nfs/dbraw/zinc/07/94/84/721079484.db2.gz ASIIVKHQNNAVGE-RTBURBONSA-N 1 0 375.476 2.813 20 0 GFADRO COc1ccc2nc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)ncc2c1 ZINC001164865330 721095858 /nfs/dbraw/zinc/09/58/58/721095858.db2.gz KBYBCRODBONMDY-AZUAARDMSA-N 1 0 391.475 2.513 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4nccc(Oc5ccccc5)n4)C[C@H]3C2)cn1 ZINC001164767638 721097117 /nfs/dbraw/zinc/09/71/17/721097117.db2.gz MOMRRTWSEYFZNE-RTBURBONSA-N 1 0 390.491 2.961 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4ncnc5cc(Cl)ccc54)C[C@H]3C2)cn1 ZINC001164762222 721108555 /nfs/dbraw/zinc/10/85/55/721108555.db2.gz COXMTPOKXLHDPW-HZPDHXFCSA-N 1 0 382.899 2.975 20 0 GFADRO CCc1c(Cl)nnc(N2C[C@@H]3C[N@@H+](Cc4cnn(C)c4)CC[C@@H]3C2)c1CC ZINC001164765617 721138859 /nfs/dbraw/zinc/13/88/59/721138859.db2.gz JQSQVNOWEXPXJF-CVEARBPZSA-N 1 0 388.947 2.947 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(C(F)(F)c4cnc(Cl)cc4N)C[C@@H]3C2)cn1 ZINC001164773803 721140171 /nfs/dbraw/zinc/14/01/71/721140171.db2.gz ZCIFRSRTOYXIAW-KGLIPLIRSA-N 1 0 396.873 2.554 20 0 GFADRO COc1nnc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)c2ccccc21 ZINC001164872610 721140722 /nfs/dbraw/zinc/14/07/22/721140722.db2.gz HWUIRRAKLHFPAV-QZTJIDSGSA-N 1 0 391.475 2.513 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4cc5ccc(Cl)nc5cn4)C[C@H]3C2)cn1 ZINC001164772795 721141697 /nfs/dbraw/zinc/14/16/97/721141697.db2.gz WZIKNPUYNYRRFF-IAGOWNOFSA-N 1 0 382.899 2.975 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4ncc5ccc(Cl)cc5n4)C[C@H]3C2)cn1 ZINC001164769186 721152134 /nfs/dbraw/zinc/15/21/34/721152134.db2.gz PRNIWUJZEYXZEO-DLBZAZTESA-N 1 0 382.899 2.975 20 0 GFADRO COc1ccc2ccc(N3C[C@H]4CC[N@H+](Cc5cnn(C)c5)C[C@@H]4C3)nc2c1 ZINC001164771737 721156426 /nfs/dbraw/zinc/15/64/26/721156426.db2.gz STURUFWHXCSRRG-RTBURBONSA-N 1 0 377.492 2.935 20 0 GFADRO Cc1csc2nc(C)nc(N3C[C@@H]4C[N@H+](Cc5cnn(C)c5)CC[C@@H]4C3)c12 ZINC001164770132 721218274 /nfs/dbraw/zinc/21/82/74/721218274.db2.gz NMKYSBOKKWXZGA-SJORKVTESA-N 1 0 382.537 3.000 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4ccc(COC5CCC5)cn4)C[C@H]3C2)cn1 ZINC001164763904 721231726 /nfs/dbraw/zinc/23/17/26/721231726.db2.gz OAUYXTZARJNZDL-VQTJNVASSA-N 1 0 381.524 2.843 20 0 GFADRO Cc1cc2ncnc(N3C[C@@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@H]4C3)c2cc1C ZINC001164767863 721232178 /nfs/dbraw/zinc/23/21/78/721232178.db2.gz WQGKWHLBKQWBLX-OALUTQOASA-N 1 0 376.508 2.938 20 0 GFADRO Cc1nc(Cl)nc(N2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)c1C ZINC001164894045 721379817 /nfs/dbraw/zinc/37/98/17/721379817.db2.gz WMQGBSNSGGVKIF-YLJYHZDGSA-N 1 0 393.963 2.512 20 0 GFADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4cc(Cl)ncc4F)C3)O2)CC1 ZINC001164884622 721407945 /nfs/dbraw/zinc/40/79/45/721407945.db2.gz FEWGKWOVLMCHKR-KXBFYZLASA-N 1 0 382.911 2.640 20 0 GFADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN([C@@H](F)c4ccnc(Cl)c4)C3)O2)CC1 ZINC001164884603 721410290 /nfs/dbraw/zinc/41/02/90/721410290.db2.gz FCNZFSXLTYOBDN-SXLOBPIMSA-N 1 0 396.938 2.964 20 0 GFADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN([C@H](F)c4ccnc(Cl)c4)C3)O2)CC1 ZINC001164884605 721410686 /nfs/dbraw/zinc/41/06/86/721410686.db2.gz FCNZFSXLTYOBDN-YSIASYRMSA-N 1 0 396.938 2.964 20 0 GFADRO Fc1cccnc1OC[C@]12COC[C@@H]1CN(c1ncccc1C[NH+]1CCCC1)C2 ZINC001164793429 721488659 /nfs/dbraw/zinc/48/86/59/721488659.db2.gz SISQXGVMNDPECS-AVRDEDQJSA-N 1 0 398.482 2.743 20 0 GFADRO C[N@H+](Cc1ccc(N2CCC3(C[C@H](C(=O)NC4CCC4)CO3)CC2)nc1)C1CC1 ZINC001164898233 721490882 /nfs/dbraw/zinc/49/08/82/721490882.db2.gz GCTHRWRHJRHXFZ-SFHVURJKSA-N 1 0 398.551 2.720 20 0 GFADRO Cc1ccc(C(N)=O)c(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)n1 ZINC001164795971 721499355 /nfs/dbraw/zinc/49/93/55/721499355.db2.gz NZBCPJDBENODFR-UHFFFAOYSA-N 1 0 379.508 2.765 20 0 GFADRO CCOC(=O)c1cccnc1N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164896915 721512905 /nfs/dbraw/zinc/51/29/05/721512905.db2.gz CHAFEIBBXXLRRU-SJLPKXTDSA-N 1 0 385.439 2.739 20 0 GFADRO Cc1nc2ccc(N3CC[N@@H+]4C[C@@H](Oc5cccc(F)c5)C[C@@H]4C3)nc2n1C ZINC001164909300 721534093 /nfs/dbraw/zinc/53/40/93/721534093.db2.gz RGVFADJZBQUWFS-AEFFLSMTSA-N 1 0 381.455 2.758 20 0 GFADRO COc1c(Cl)nc(C)nc1N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164911272 721534258 /nfs/dbraw/zinc/53/42/58/721534258.db2.gz VWKPIWRQZHTNGO-HOCLYGCPSA-N 1 0 392.862 2.928 20 0 GFADRO Fc1cccc(O[C@@H]2C[C@@H]3CN(c4ncc(OC(F)F)cn4)CC[N@@H+]3C2)c1 ZINC001164905246 721542675 /nfs/dbraw/zinc/54/26/75/721542675.db2.gz HEYRPFGBKODTCK-UKRRQHHQSA-N 1 0 380.370 2.559 20 0 GFADRO CCCNC(=O)c1cccnc1N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164909295 721553751 /nfs/dbraw/zinc/55/37/51/721553751.db2.gz UGYBQFCJQFQFER-PKOBYXMFSA-N 1 0 398.482 2.702 20 0 GFADRO CCc1c(Cl)ncnc1N1C[C@H]([N@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@@H]21 ZINC001164804104 721582250 /nfs/dbraw/zinc/58/22/50/721582250.db2.gz IOSQMDJRAZAXIB-OKZBNKHCSA-N 1 0 387.915 2.956 20 0 GFADRO COc1cc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)nc(C)n1 ZINC001164907434 721701501 /nfs/dbraw/zinc/70/15/01/721701501.db2.gz SMWHSIFLLLRIAL-LJQANCHMSA-N 1 0 389.450 2.926 20 0 GFADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2ccc(-c3cccs3)nn2)CC1 ZINC001165010783 721740365 /nfs/dbraw/zinc/74/03/65/721740365.db2.gz PEFJKSXMSYGQGT-UHFFFAOYSA-N 1 0 385.537 2.728 20 0 GFADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc4c(cn3)NC(=O)C4)C[C@H]21 ZINC001165028107 721804081 /nfs/dbraw/zinc/80/40/81/721804081.db2.gz YILCIALGHDWHBT-QKYXUNIQSA-N 1 0 377.492 2.708 20 0 GFADRO C[NH+](C)Cc1ccnc(N2CCO[C@H]3[C@H]2CC[C@H]3COCc2nccs2)c1 ZINC001164915938 721811119 /nfs/dbraw/zinc/81/11/19/721811119.db2.gz DTLXLDHDBFVDMV-SQGPQFPESA-N 1 0 388.537 2.800 20 0 GFADRO CCOc1cncc(N(C)C2CC[NH+](Cc3c(OC)cccc3OC)CC2)n1 ZINC001165017438 721837580 /nfs/dbraw/zinc/83/75/80/721837580.db2.gz LXMADULXUIWBFW-UHFFFAOYSA-N 1 0 386.496 2.993 20 0 GFADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2cc(C)nc(OC)n2)CC1 ZINC001165023471 721840700 /nfs/dbraw/zinc/84/07/00/721840700.db2.gz YWOVXDLLFODIBM-UHFFFAOYSA-N 1 0 386.496 2.912 20 0 GFADRO COc1cc2c(cc1Cl)ncnc2N1CC[C@@H]2[C@@H]1CC[N@@H+]2CCN(C)C ZINC001164927972 721864441 /nfs/dbraw/zinc/86/44/41/721864441.db2.gz XQBCTWFUPQROPJ-SJORKVTESA-N 1 0 375.904 2.506 20 0 GFADRO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2C(F)(F)c1cc(Cl)nc2c1CCC2 ZINC001164933988 721890477 /nfs/dbraw/zinc/89/04/77/721890477.db2.gz NVSOZRWIBUECBM-DLBZAZTESA-N 1 0 384.902 2.983 20 0 GFADRO CN1C(=O)CC[C@@H]2[C@H]1CCN2c1ccc2c(n1)CC[N@@H+](Cc1ccccc1)C2 ZINC001164932742 721891736 /nfs/dbraw/zinc/89/17/36/721891736.db2.gz IBNVZBNISLRGFO-NHCUHLMSSA-N 1 0 376.504 2.839 20 0 GFADRO O=C(C[C@@H]1OC[C@H]2CN(c3ccc(C[NH+]4CCCC4)cn3)CC[C@@H]21)NC1CCC1 ZINC001164936052 721897178 /nfs/dbraw/zinc/89/71/78/721897178.db2.gz XPZBMULELLKRMA-GIVPXCGWSA-N 1 0 398.551 2.578 20 0 GFADRO O=S(=O)(c1cccnc1N1CCCC[C@@H]1CC[NH+]1CCCC1)N1CCCC1 ZINC001165047982 721972951 /nfs/dbraw/zinc/97/29/51/721972951.db2.gz HYLIEYIBFHRMRB-GOSISDBHSA-N 1 0 392.569 2.711 20 0 GFADRO COC[C@@]12COC[C@H]1CN(C(F)(F)c1cnc(Cl)c(C3=CC[NH2+]CC3)c1)C2 ZINC001164949283 721996875 /nfs/dbraw/zinc/99/68/75/721996875.db2.gz DPCXWVWOIKQBNI-QAPCUYQASA-N 1 0 399.869 2.756 20 0 GFADRO COC(=O)C[C@H](c1ccnc(N2CC[NH+](CCc3ccccn3)CC2)c1)C1CC1 ZINC001165055410 722016491 /nfs/dbraw/zinc/01/64/91/722016491.db2.gz IRIWDQNFDGZFEU-NRFANRHFSA-N 1 0 394.519 2.898 20 0 GFADRO c1cncc(C[N@@H+]2CCC3(C2)CCN(c2cncc(N4CCCC4)n2)CC3)c1 ZINC001164955273 722020216 /nfs/dbraw/zinc/02/02/16/722020216.db2.gz CRIKXDCPKHSNFW-UHFFFAOYSA-N 1 0 378.524 2.964 20 0 GFADRO Clc1nc2cc[nH]c2c(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164983402 722098936 /nfs/dbraw/zinc/09/89/36/722098936.db2.gz PYLYPLDPMJUSCB-DOTOQJQBSA-N 1 0 398.898 2.734 20 0 GFADRO CCc1ncnc(Cl)c1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164983875 722103701 /nfs/dbraw/zinc/10/37/01/722103701.db2.gz QVLDRQALFSGGOZ-SJLPKXTDSA-N 1 0 387.915 2.815 20 0 GFADRO Fc1cccc2c1ncnc2N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164973218 722112290 /nfs/dbraw/zinc/11/22/90/722112290.db2.gz GWGOKFOAVASBQN-YLJYHZDGSA-N 1 0 393.466 2.891 20 0 GFADRO c1nc2c(ccnc2N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)s1 ZINC001164977449 722122381 /nfs/dbraw/zinc/12/23/81/722122381.db2.gz NGWLGJCJDXSFEB-IAGOWNOFSA-N 1 0 381.505 2.814 20 0 GFADRO Fc1cnc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c2[nH]ccc21 ZINC001164985492 722134483 /nfs/dbraw/zinc/13/44/83/722134483.db2.gz ZQCZXJUQRRZHRH-APWZRJJASA-N 1 0 381.455 2.824 20 0 GFADRO CCc1cc(CC)nc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164974605 722155712 /nfs/dbraw/zinc/15/57/12/722155712.db2.gz OHSWBQZQHLIFDY-GHTZIAJQSA-N 1 0 381.524 2.724 20 0 GFADRO CCCSc1cncc(N2CCCn3cnc(COCC[NH+](C)C)c3C2)n1 ZINC001165003433 722257211 /nfs/dbraw/zinc/25/72/11/722257211.db2.gz CQXMXCGBHWTDQT-UHFFFAOYSA-N 1 0 390.557 2.664 20 0 GFADRO Cc1cc(NC(=O)NC[C@H]2C[NH2+]CCO2)nn1-c1ccc(Cl)cc1Cl ZINC000518340899 532439291 /nfs/dbraw/zinc/43/92/91/532439291.db2.gz VBEULSVTWJIKQB-GFCCVEGCSA-N 1 0 384.267 2.597 20 0 GFADRO CCn1ccnc1[C@H]1OCCC[C@@H]1[NH2+][C@@H](C)Cn1cc(Br)cn1 ZINC000190432537 209112175 /nfs/dbraw/zinc/11/21/75/209112175.db2.gz BLHDQDSGHLCOHG-QEJZJMRPSA-N 1 0 382.306 2.760 20 0 GFADRO O=C(Nc1cnn(CC[NH+]2CCCCC2)c1)c1ccnc(OCC(F)(F)F)c1 ZINC000359899639 206268527 /nfs/dbraw/zinc/26/85/27/206268527.db2.gz OSKUVUMVFVDCGD-UHFFFAOYSA-N 1 0 397.401 2.957 20 0 GFADRO CC(=O)Nc1nc(C(=O)N(Cc2ccccc2F)C2CC[NH+](C)CC2)cs1 ZINC000359908877 206269523 /nfs/dbraw/zinc/26/95/23/206269523.db2.gz PMRHNZOAWKNGEZ-UHFFFAOYSA-N 1 0 390.484 2.977 20 0 GFADRO CCC[NH+]1CCC(N2CCN(C(=O)CCSCc3ccccn3)CC2)CC1 ZINC000359937338 206272318 /nfs/dbraw/zinc/27/23/18/206272318.db2.gz PFXOLVICSADKAE-UHFFFAOYSA-N 1 0 390.597 2.724 20 0 GFADRO C[NH+]1CCC(N(Cc2ccccc2F)C(=O)c2cccc(-n3cnnn3)c2)CC1 ZINC000359928577 206271147 /nfs/dbraw/zinc/27/11/47/206271147.db2.gz VPPPXYNGSBJXHQ-UHFFFAOYSA-N 1 0 394.454 2.538 20 0 GFADRO COc1ccc(CC(=O)N(C)C2CC[NH+](Cc3ccncc3)CC2)cc1OC ZINC000359955980 206273869 /nfs/dbraw/zinc/27/38/69/206273869.db2.gz KCVPQNKYXQSIJV-UHFFFAOYSA-N 1 0 383.492 2.764 20 0 GFADRO COc1ccc([C@@H]2CCCN2C(=O)C[NH2+][C@]2(C)CCO[C@H]2C2CC2)c(OC)c1 ZINC000359956258 206274012 /nfs/dbraw/zinc/27/40/12/206274012.db2.gz DGLSBMVSHHUQNX-YUXAGFNASA-N 1 0 388.508 2.915 20 0 GFADRO Cc1nc2ccccc2n1CC(=O)N(C)C1CC[NH+](CCc2ccncc2)CC1 ZINC000359975873 206275139 /nfs/dbraw/zinc/27/51/39/206275139.db2.gz FQXHPBRLTYMAST-UHFFFAOYSA-N 1 0 391.519 2.905 20 0 GFADRO CC(C)S(=O)(=O)CCC[N@@H+]1C[C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)[C@H]2C1 ZINC000359993024 206277735 /nfs/dbraw/zinc/27/77/35/206277735.db2.gz JJMXZMPZEVCRLH-YESZJQIVSA-N 1 0 388.574 2.825 20 0 GFADRO COC(=O)/C=C1\SCC(=O)N1CCC[NH2+][C@H](c1ccccc1)c1ccccn1 ZINC000359990593 206276836 /nfs/dbraw/zinc/27/68/36/206276836.db2.gz BXUFNUNGUKJXSW-LUDQZLGDSA-N 1 0 397.500 2.741 20 0 GFADRO COc1cc2nc(N3CC[NH+](Cc4ccccc4)CC3)nc(N)c2cc1OC ZINC000013782860 221289708 /nfs/dbraw/zinc/28/97/08/221289708.db2.gz JABYAVHSPNMUGH-UHFFFAOYSA-N 1 0 379.464 2.551 20 0 GFADRO COCC[N@H+](C)CCCNC(=O)N[C@@H](C)c1ccc(Br)s1 ZINC000435796427 563658898 /nfs/dbraw/zinc/65/88/98/563658898.db2.gz AIIDCYVHJNZIPX-NSHDSACASA-N 1 0 378.336 2.839 20 0 GFADRO C[C@H]1C[C@H](C)C[NH+](CC(=O)Nc2ccc(Cl)c(S(=O)(=O)N(C)C)c2)C1 ZINC000016475879 551111839 /nfs/dbraw/zinc/11/18/39/551111839.db2.gz RNVLUZIOGWUNRE-STQMWFEESA-N 1 0 387.933 2.507 20 0 GFADRO CCCC[NH+]1CCC(NS(=O)(=O)c2cccc(Br)c2)CC1 ZINC000040437755 551134196 /nfs/dbraw/zinc/13/41/96/551134196.db2.gz CDHMDKJPYNPTEG-UHFFFAOYSA-N 1 0 375.332 2.992 20 0 GFADRO Cc1ccc(S(=O)(=O)NCC[NH+]2CCC(C)CC2)c(Br)c1 ZINC000040436031 551134401 /nfs/dbraw/zinc/13/44/01/551134401.db2.gz PDCJXXIACPFGMS-UHFFFAOYSA-N 1 0 375.332 2.768 20 0 GFADRO Cc1cc(NC(=O)C(=O)NC[C@H](CC(C)C)[NH+](C)C)ccc1Br ZINC000041321716 551135355 /nfs/dbraw/zinc/13/53/55/551135355.db2.gz PDJPOIDVTXDBAT-AWEZNQCLSA-N 1 0 384.318 2.789 20 0 GFADRO CCN1CC[NH+](CCCCNC(=O)COc2ccc(Cl)cc2Cl)CC1 ZINC000041527719 551135851 /nfs/dbraw/zinc/13/58/51/551135851.db2.gz ABQDXWTZRMKDTA-UHFFFAOYSA-N 1 0 388.339 2.906 20 0 GFADRO O=C(NCC1([NH+]2CCSCC2)CCCC1)C(=O)Nc1cccc(Cl)c1 ZINC000041965135 551137169 /nfs/dbraw/zinc/13/71/69/551137169.db2.gz ANMQGMBDFQAPCD-UHFFFAOYSA-N 1 0 381.929 2.756 20 0 GFADRO CC[NH+](CC)[C@H](C)CNC(=O)[C@H]1CCN(c2ccccc2Br)C1=O ZINC000045036916 551144984 /nfs/dbraw/zinc/14/49/84/551144984.db2.gz NIHQZGAANHMYMA-ZIAGYGMSSA-N 1 0 396.329 2.649 20 0 GFADRO O=C(NCCC[NH+]1CCCCCC1)C(=O)Nc1ccccc1Br ZINC000048847718 551157313 /nfs/dbraw/zinc/15/73/13/551157313.db2.gz JMXXNKJEKBZUGV-UHFFFAOYSA-N 1 0 382.302 2.770 20 0 GFADRO CCCNC(=O)[C@H]1CCC[N@H+](C[C@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000050997969 551161530 /nfs/dbraw/zinc/16/15/30/551161530.db2.gz PICDRYBAMFFUQX-KBPBESRZSA-N 1 0 389.323 2.971 20 0 GFADRO C[C@@H](CNC(=O)CCc1nc(-c2cc(Br)cs2)no1)[NH+](C)C ZINC000052985987 551165196 /nfs/dbraw/zinc/16/51/96/551165196.db2.gz NBMMIRAJLYGVLR-VIFPVBQESA-N 1 0 387.303 2.560 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)NCCN1CCc2sccc2C1)c1cccs1 ZINC000054539935 551169239 /nfs/dbraw/zinc/16/92/39/551169239.db2.gz OUIYTGYCMCUAFG-HNNXBMFYSA-N 1 0 378.567 2.770 20 0 GFADRO CCC[N@@H+]1CC[C@@H](CNC(=O)NCCOc2cccc(Br)c2)C1 ZINC000054510732 551169382 /nfs/dbraw/zinc/16/93/82/551169382.db2.gz QTMDSIRYDBITPZ-AWEZNQCLSA-N 1 0 384.318 2.859 20 0 GFADRO C[NH+](C)CCOc1cccc(CNS(=O)(=O)c2cccc(Cl)c2F)c1 ZINC000055246636 551172207 /nfs/dbraw/zinc/17/22/07/551172207.db2.gz MYWPKMLTCBWITC-UHFFFAOYSA-N 1 0 386.876 2.898 20 0 GFADRO CSc1ncc(Cl)c(C(=O)NCc2cccc(OCC[NH+](C)C)c2)n1 ZINC000056890943 551178476 /nfs/dbraw/zinc/17/84/76/551178476.db2.gz VPVLGKGMJLJBMV-UHFFFAOYSA-N 1 0 380.901 2.722 20 0 GFADRO C[NH+](C)CCn1c(=O)oc2ccc(NC(=O)c3coc(Br)c3)cc21 ZINC000058739489 551183424 /nfs/dbraw/zinc/18/34/24/551183424.db2.gz ZIWAKVJMKMUUOV-UHFFFAOYSA-N 1 0 394.225 2.764 20 0 GFADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N(C)[C@@H](C)c1ccccc1Br ZINC000106583353 551200393 /nfs/dbraw/zinc/20/03/93/551200393.db2.gz BLVQSDUWMZEZQH-GJZGRUSLSA-N 1 0 397.361 2.787 20 0 GFADRO Nc1cc(N)[nH+]c(SCc2noc(Cc3ccc(Br)cc3)n2)n1 ZINC000110136602 551202704 /nfs/dbraw/zinc/20/27/04/551202704.db2.gz CNHTVLZTKKLHFF-UHFFFAOYSA-N 1 0 393.270 2.670 20 0 GFADRO O=C(c1cc(=O)c2cc(Br)ccc2[nH]1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000112634186 551206478 /nfs/dbraw/zinc/20/64/78/551206478.db2.gz VCDWZRLGOWCNRM-CYBMUJFWSA-N 1 0 390.281 2.601 20 0 GFADRO C[C@H](CNC(=O)c1cc(=O)c2cc(Br)ccc2[nH]1)[N@H+](C)C1CC1 ZINC000112634815 551206850 /nfs/dbraw/zinc/20/68/50/551206850.db2.gz CAGUCJAEMNQJBH-SNVBAGLBSA-N 1 0 378.270 2.503 20 0 GFADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(Cc2csc(-c3ccsc3)n2)CC1 ZINC000114073234 551208622 /nfs/dbraw/zinc/20/86/22/551208622.db2.gz XCTYKZPTHDDAFX-INIZCTEOSA-N 1 0 376.551 2.610 20 0 GFADRO C[C@H]1C[NH+](CCCCNC(=O)c2nc(Br)cs2)C[C@H](C)O1 ZINC000119486848 551216995 /nfs/dbraw/zinc/21/69/95/551216995.db2.gz NPFHVOHDRANSDR-QWRGUYRKSA-N 1 0 376.320 2.525 20 0 GFADRO Cc1ccc(NC(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c(Br)c1 ZINC000120326514 551219318 /nfs/dbraw/zinc/21/93/18/551219318.db2.gz VWZHOIUVMZANPH-CJNGLKHVSA-N 1 0 394.313 2.639 20 0 GFADRO CC(C)[C@H](CNC(=O)CCc1cccc(Br)c1)[NH+]1CCN(C)CC1 ZINC000120367777 551220007 /nfs/dbraw/zinc/22/00/07/551220007.db2.gz LOMQUYTWUNZXSL-SFHVURJKSA-N 1 0 396.373 2.770 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)Cc2ccc(Br)cc2)[C@H](C)C1 ZINC000120919510 551222517 /nfs/dbraw/zinc/22/25/17/551222517.db2.gz DGRHYULQUMQHPN-CZUORRHYSA-N 1 0 389.359 2.941 20 0 GFADRO Cc1cccc(NC(=O)C(=O)NCC[NH+]2CCC(C)CC2)c1Br ZINC000120926238 551222580 /nfs/dbraw/zinc/22/25/80/551222580.db2.gz VDFGZKOFXYNUIP-UHFFFAOYSA-N 1 0 382.302 2.544 20 0 GFADRO Cc1cccc(NC(=O)C(=O)NC[C@H](C)C[NH+]2CCCC2)c1Br ZINC000120968267 551223859 /nfs/dbraw/zinc/22/38/59/551223859.db2.gz OZLDXHLJSKDWNO-LBPRGKRZSA-N 1 0 382.302 2.544 20 0 GFADRO C[NH2+]CCCNC(=O)c1ccc(OCc2cc(C)no2)c(Br)c1 ZINC000120977906 551224345 /nfs/dbraw/zinc/22/43/45/551224345.db2.gz TUSPOUXGLOHPQT-UHFFFAOYSA-N 1 0 382.258 2.664 20 0 GFADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)c2cccc(C)c2Br)CC1 ZINC000121064774 551226342 /nfs/dbraw/zinc/22/63/42/551226342.db2.gz SRPBCBUHJRHSRB-AWEZNQCLSA-N 1 0 382.346 2.761 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)C(=O)Nc1ccccc1Br)c1ccccc1 ZINC000121154440 551228247 /nfs/dbraw/zinc/22/82/47/551228247.db2.gz JMBZAZZKMRHLPA-MRXNPFEDSA-N 1 0 390.281 2.807 20 0 GFADRO COC(=O)[C@@H](c1cccc(Br)c1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000121222636 551229999 /nfs/dbraw/zinc/22/99/99/551229999.db2.gz UGVAVYKDLQNPJV-QGZVFWFLSA-N 1 0 390.281 2.880 20 0 GFADRO CC[N@@H+]1CC[C@H](CNC(=O)c2cn(-c3ccc(Br)cc3)cn2)C1 ZINC000121696751 551239948 /nfs/dbraw/zinc/23/99/48/551239948.db2.gz LYKZYJBJEYNDAX-CYBMUJFWSA-N 1 0 377.286 2.706 20 0 GFADRO COc1ccc(Br)cc1C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000121707514 551240356 /nfs/dbraw/zinc/24/03/56/551240356.db2.gz KDXUMHKBXLTLMM-ZDUSSCGKSA-N 1 0 397.313 2.688 20 0 GFADRO CCC[C@@H]1CN(C[C@H](O)c2ccccc2Br)CC[N@@H+]1CCOC ZINC000121868915 551244185 /nfs/dbraw/zinc/24/41/85/551244185.db2.gz XDZKTGNEDQUTDT-QAPCUYQASA-N 1 0 385.346 2.915 20 0 GFADRO O=C(NC[C@H]1CCCN(C(=O)c2cc(Cl)sc2Cl)C1)[C@H]1CCC[NH2+]1 ZINC000122059221 551293808 /nfs/dbraw/zinc/29/38/08/551293808.db2.gz RPLFGJCTCMQIRV-ZYHUDNBSSA-N 1 0 390.336 2.775 20 0 GFADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)c2csc(-c3cccs3)n2)CC1 ZINC000122237312 551296261 /nfs/dbraw/zinc/29/62/61/551296261.db2.gz NSKXFFLVDVSVFX-AWEZNQCLSA-N 1 0 378.567 2.875 20 0 GFADRO O=S(=O)(NCC[NH2+]Cc1ccccc1OCC(F)(F)F)c1cccs1 ZINC000122271144 551296466 /nfs/dbraw/zinc/29/64/66/551296466.db2.gz AKZWVHLXFUDRTE-UHFFFAOYSA-N 1 0 394.440 2.757 20 0 GFADRO CSCC[C@H]([NH3+])C(=O)N[C@@H](C)c1nc(-c2ccc(Br)cc2)no1 ZINC000122558570 551300161 /nfs/dbraw/zinc/30/01/61/551300161.db2.gz NYNPCIRIJQGZHO-CABZTGNLSA-N 1 0 399.314 2.757 20 0 GFADRO C[NH+](C)CCN(Cc1ccco1)C(=O)C(=O)Nc1ccc(Br)cc1 ZINC000123060830 551302752 /nfs/dbraw/zinc/30/27/52/551302752.db2.gz XQCQDUWSVBYTOF-UHFFFAOYSA-N 1 0 394.269 2.571 20 0 GFADRO C[NH+](C)CCOc1cc(CNC(=O)c2cc(F)ccc2Br)ccn1 ZINC000124405802 551314334 /nfs/dbraw/zinc/31/43/34/551314334.db2.gz NGJJFNQDGAAWSL-UHFFFAOYSA-N 1 0 396.260 2.854 20 0 GFADRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)CS(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000124475052 551315171 /nfs/dbraw/zinc/31/51/71/551315171.db2.gz OIXGSDBKQWRXCA-OAHLLOKOSA-N 1 0 386.945 2.598 20 0 GFADRO Brc1ccc(C[NH2+]CCN2CCOCC2)cc1Br ZINC000124487799 551315265 /nfs/dbraw/zinc/31/52/65/551315265.db2.gz PNQQKNKCOJZRNT-UHFFFAOYSA-N 1 0 378.108 2.633 20 0 GFADRO Cc1ccc(C[N@@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)c(Br)c1 ZINC000124493446 551315477 /nfs/dbraw/zinc/31/54/77/551315477.db2.gz KUFOOTSJIMJWCS-MRXNPFEDSA-N 1 0 381.314 2.828 20 0 GFADRO O=S(=O)(Cc1ccc(Br)cc1)N1CCC([NH2+]CC2CC2)CC1 ZINC000124675857 551316725 /nfs/dbraw/zinc/31/67/25/551316725.db2.gz TVQUWEGKSVRFBD-UHFFFAOYSA-N 1 0 387.343 2.743 20 0 GFADRO O=C(Nc1ccc(Br)cc1)C1CC[NH+](CCC2OCCO2)CC1 ZINC000124868071 551318645 /nfs/dbraw/zinc/31/86/45/551318645.db2.gz BPYPGJSOUDUPHK-UHFFFAOYSA-N 1 0 383.286 2.863 20 0 GFADRO COc1cc(Br)c(C[N@@H+]2CCCC[C@H]2[C@H]2CNC(=O)C2)cc1OC ZINC000124898038 551319148 /nfs/dbraw/zinc/31/91/48/551319148.db2.gz LRXRFBAQLIDNCP-DOMZBBRYSA-N 1 0 397.313 2.957 20 0 GFADRO CC1(C)NC(=O)N(CC[N@@H+]2CC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)C1=O ZINC000126108279 551325840 /nfs/dbraw/zinc/32/58/40/551325840.db2.gz PNPRUGCEHGEVDH-LBPRGKRZSA-N 1 0 386.279 2.777 20 0 GFADRO Cc1cc(C)c(Br)c(C(=O)NC[C@@H](O)C[NH+]2CCC(C)CC2)c1 ZINC000127103020 551336801 /nfs/dbraw/zinc/33/68/01/551336801.db2.gz DJAKHRRLTWTROR-OAHLLOKOSA-N 1 0 383.330 2.889 20 0 GFADRO Cc1n[nH]c(C)c1C[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000128333274 551348978 /nfs/dbraw/zinc/34/89/78/551348978.db2.gz CHTBFWIOSADXBF-UHFFFAOYSA-N 1 0 379.302 2.915 20 0 GFADRO Cc1nc(NC(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)ccc1Br ZINC000128578700 551351195 /nfs/dbraw/zinc/35/11/95/551351195.db2.gz NLCVDBWRURSAKR-CYBMUJFWSA-N 1 0 385.306 2.727 20 0 GFADRO O=C(C[C@@H]1CC[NH2+]C1)NCCSCCOc1cccc(Br)c1 ZINC000129275775 551355629 /nfs/dbraw/zinc/35/56/29/551355629.db2.gz MUXDYTAPXNFDBX-ZDUSSCGKSA-N 1 0 387.343 2.677 20 0 GFADRO C[C@H]([NH2+]C1CCN(S(C)(=O)=O)CC1)c1ccc(F)cc1Br ZINC000129694557 551358630 /nfs/dbraw/zinc/35/86/30/551358630.db2.gz BEFFHZLPHSUZKP-JTQLQIEISA-N 1 0 379.295 2.663 20 0 GFADRO CC[N@H+](CCNC(=O)c1ccnc(Cl)c1I)C1CC1 ZINC000130788565 551369504 /nfs/dbraw/zinc/36/95/04/551369504.db2.gz WKGDHYLICNECMS-UHFFFAOYSA-N 1 0 393.656 2.554 20 0 GFADRO Cn1ncc(Cl)c1C[NH2+]CCCNC(=O)c1cccc(Br)c1 ZINC000131020091 551370993 /nfs/dbraw/zinc/37/09/93/551370993.db2.gz FGIIJPVEYDFGPW-UHFFFAOYSA-N 1 0 385.693 2.746 20 0 GFADRO CC(C)(C)n1cc(C[NH2+]C[C@@H](O)COc2ccccc2Br)cn1 ZINC000131042898 551371501 /nfs/dbraw/zinc/37/15/01/551371501.db2.gz NIQUJIDWOSWLSC-CQSZACIVSA-N 1 0 382.302 2.930 20 0 GFADRO O=C(C[C@H]1CSCC[NH2+]1)Nc1ccc(C(=O)N2CCCCC2)c(Cl)c1 ZINC000132848779 551379872 /nfs/dbraw/zinc/37/98/72/551379872.db2.gz JAVYIXSSCVRGDI-AWEZNQCLSA-N 1 0 381.929 3.000 20 0 GFADRO CC[C@]1(C(=O)Nc2ncn(Cc3cccc(Br)c3)n2)CCC[NH2+]1 ZINC000134456931 551385713 /nfs/dbraw/zinc/38/57/13/551385713.db2.gz NPFICHZTXUKSJE-MRXNPFEDSA-N 1 0 378.274 2.560 20 0 GFADRO C[C@@H]1C[C@@H](N(C)C(=O)c2ccc(Br)cc2-n2cncn2)CC[N@@H+]1C ZINC000135652742 551388274 /nfs/dbraw/zinc/38/82/74/551388274.db2.gz FEIGAMOYYFQQTP-OCCSQVGLSA-N 1 0 392.301 2.585 20 0 GFADRO CC(C)[C@@H]1CCC[N@@H+]1CC(=O)NCC(=O)Nc1ccccc1Br ZINC000140465366 551393339 /nfs/dbraw/zinc/39/33/39/551393339.db2.gz BZNRGGKJRFAAQL-HNNXBMFYSA-N 1 0 382.302 2.624 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)c1cc(Cl)ccc1I ZINC000144306547 551395838 /nfs/dbraw/zinc/39/58/38/551395838.db2.gz MIAYJASKDLUSKK-SNVBAGLBSA-N 1 0 390.652 2.911 20 0 GFADRO C[N@@H+]1CCC[C@H](NC(=O)N2CCO[C@H](c3ccc(Br)cc3)C2)C1 ZINC000149985717 551399627 /nfs/dbraw/zinc/39/96/27/551399627.db2.gz MMMJRJRXTSCCLW-HOTGVXAUSA-N 1 0 382.302 2.626 20 0 GFADRO CC[NH+]1CCC(N(C)S(=O)(=O)c2cc(C)c(Br)s2)CC1 ZINC000149900258 551399656 /nfs/dbraw/zinc/39/96/56/551399656.db2.gz GTOSVQRQGMYOCN-UHFFFAOYSA-N 1 0 381.361 2.924 20 0 GFADRO CN(Cc1ccccc1Br)C(=O)CN1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000150826921 551402017 /nfs/dbraw/zinc/40/20/17/551402017.db2.gz XJCRIEIPZFTKDR-INIZCTEOSA-N 1 0 394.357 2.825 20 0 GFADRO CC(C)N(CC[NH+](C)C)C(=O)c1cc(=O)[nH]c2ccc(Br)cc21 ZINC000151957493 551424065 /nfs/dbraw/zinc/42/40/65/551424065.db2.gz YKSLLRQTAIFOFZ-UHFFFAOYSA-N 1 0 380.286 2.703 20 0 GFADRO CC(C)C(=O)NC[C@H]1CCC[N@H+](C[C@H](O)c2ccccc2Br)C1 ZINC000152156845 551427392 /nfs/dbraw/zinc/42/73/92/551427392.db2.gz DZDNUJWGZJUUAY-PBHICJAKSA-N 1 0 383.330 2.967 20 0 GFADRO CC[C@@](C)(CO)[NH2+]Cc1cc(I)c(OC)c(OC)c1 ZINC000152159010 551427641 /nfs/dbraw/zinc/42/76/41/551427641.db2.gz RMQGJWMYJLNFEQ-AWEZNQCLSA-N 1 0 379.238 2.559 20 0 GFADRO CC(C)(O)C[NH+]1CCN(Cc2cccc(Br)c2OC(F)F)CC1 ZINC000152322770 551430827 /nfs/dbraw/zinc/43/08/27/551430827.db2.gz RYIGTGSHEMMFGH-UHFFFAOYSA-N 1 0 393.272 2.939 20 0 GFADRO C[N@H+](CC(=O)NC1CCOCC1)CC1(c2ccc(Br)cc2)CC1 ZINC000152609566 551436634 /nfs/dbraw/zinc/43/66/34/551436634.db2.gz CMMYBSINZTVPKR-UHFFFAOYSA-N 1 0 381.314 2.708 20 0 GFADRO CC[NH+](CC)CCN(Cc1cccs1)C(=O)Cn1c(C)c(C)sc1=O ZINC000152663136 551437576 /nfs/dbraw/zinc/43/75/76/551437576.db2.gz NIXWMXSIJOTUQC-UHFFFAOYSA-N 1 0 381.567 2.959 20 0 GFADRO CCOc1cc(Br)c(NC(=O)[C@]2(F)CC[NH2+]C2)cc1OCC ZINC000152695524 551437905 /nfs/dbraw/zinc/43/79/05/551437905.db2.gz PEONFURVDNVHSK-HNNXBMFYSA-N 1 0 375.238 2.887 20 0 GFADRO C[C@H](c1ccccc1Br)N(C)C(=O)N[C@@H](C)[C@@H]1CN(C)CCO1 ZINC000152757336 551438854 /nfs/dbraw/zinc/43/88/54/551438854.db2.gz FUBGSHAVQPKYHO-ZENOOKHLSA-N 1 0 384.318 2.871 20 0 GFADRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2S(=O)(=O)Cc2ccccc2C(F)(F)F)C1 ZINC000152859542 551441271 /nfs/dbraw/zinc/44/12/71/551441271.db2.gz MKWYVLNOTQZWFD-CZUORRHYSA-N 1 0 376.444 2.951 20 0 GFADRO C[N@@H+]1CC[C@H]2[C@H](CCCN2S(=O)(=O)c2cccc(OC(F)(F)F)c2)C1 ZINC000152866682 551441835 /nfs/dbraw/zinc/44/18/35/551441835.db2.gz VRRLWRQBEJTZPX-DOMZBBRYSA-N 1 0 378.416 2.690 20 0 GFADRO CSC[C@@H](CCO)NC(=O)NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000152929135 551443418 /nfs/dbraw/zinc/44/34/18/551443418.db2.gz WIJVARYJZCTCSE-CVEARBPZSA-N 1 0 385.599 2.934 20 0 GFADRO O[C@@H](C[N@@H+]1CCC[C@H](c2nnc3n2CCC3)C1)c1ccccc1Br ZINC000152974513 551444330 /nfs/dbraw/zinc/44/43/30/551444330.db2.gz UZSOWXIWYLWSTC-BBRMVZONSA-N 1 0 391.313 2.900 20 0 GFADRO NC(=O)C1(C[NH2+][C@H]2CCSc3ccc(Br)cc32)CCOCC1 ZINC000153174089 551447971 /nfs/dbraw/zinc/44/79/71/551447971.db2.gz QUWSNRAGCMWJPO-ZDUSSCGKSA-N 1 0 385.327 2.858 20 0 GFADRO CSC[C@H](CCO)NC(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000153451083 551453394 /nfs/dbraw/zinc/45/33/94/551453394.db2.gz BZIHXMLPGRWLJG-DLBZAZTESA-N 1 0 385.961 2.890 20 0 GFADRO C[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2ccc(Br)c(Cl)c2)C1 ZINC000153514749 551454204 /nfs/dbraw/zinc/45/42/04/551454204.db2.gz QTAXSVKOVJVMPE-JTQLQIEISA-N 1 0 381.723 2.723 20 0 GFADRO C[C@@H]1CN(C(=O)c2cc(Cl)ccc2I)C[C@H](C)[NH2+]1 ZINC000153501447 551454406 /nfs/dbraw/zinc/45/44/06/551454406.db2.gz IASJBCFZAKWFCC-DTORHVGOSA-N 1 0 378.641 2.767 20 0 GFADRO CS(=O)(=O)c1cc(C(=O)N2CCC[C@H]([NH2+]Cc3ccccc3)C2)cs1 ZINC000153568803 551455807 /nfs/dbraw/zinc/45/58/07/551455807.db2.gz QQVNQRXLRHEAMI-INIZCTEOSA-N 1 0 378.519 2.546 20 0 GFADRO C[NH+](C)[C@H]1CCCN(C(=O)c2c(F)cccc2I)C1 ZINC000153571253 551456141 /nfs/dbraw/zinc/45/61/41/551456141.db2.gz YPFVWKLKILKCFS-JTQLQIEISA-N 1 0 376.213 2.597 20 0 GFADRO C[NH+](C)CCN(C(=O)CNC(=O)c1cccc(Br)c1)C1CCCC1 ZINC000153672007 551457972 /nfs/dbraw/zinc/45/79/72/551457972.db2.gz NLVNLXZYPHFYSB-UHFFFAOYSA-N 1 0 396.329 2.512 20 0 GFADRO CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)NCC[NH2+]C(C)(C)C ZINC000153827149 551461445 /nfs/dbraw/zinc/46/14/45/551461445.db2.gz ZGOACLZWOXWTFI-HNNXBMFYSA-N 1 0 385.961 2.696 20 0 GFADRO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)CN(C)CC[NH+]1CCCC1 ZINC000153832424 551461765 /nfs/dbraw/zinc/46/17/65/551461765.db2.gz OHYFYJJWZORGFC-UHFFFAOYSA-N 1 0 388.295 2.746 20 0 GFADRO C[C@H]1CN(C(=O)c2nn(-c3ccc(F)cc3)cc2Br)C[C@H](C)[NH2+]1 ZINC000153976011 551464339 /nfs/dbraw/zinc/46/43/39/551464339.db2.gz GOCVLSVHIIIJNE-QWRGUYRKSA-N 1 0 381.249 2.596 20 0 GFADRO O=C(NCC1([NH+]2CCCCC2)CCOCC1)c1ccncc1Br ZINC000154126143 551468229 /nfs/dbraw/zinc/46/82/29/551468229.db2.gz FXBBTEMUCKORCN-UHFFFAOYSA-N 1 0 382.302 2.609 20 0 GFADRO C[C@H](NC[C@H](O)C[NH+](C)C)c1ccc(Br)cc1Br ZINC000154299294 551471655 /nfs/dbraw/zinc/47/16/55/551471655.db2.gz NQNYNUJFPJFPKV-ONGXEEELSA-N 1 0 380.124 2.785 20 0 GFADRO C[N@@H+]1CCC[C@H]2CN(S(=O)(=O)c3ccc(Br)cc3F)CC[C@@H]21 ZINC000154536128 551477611 /nfs/dbraw/zinc/47/76/11/551477611.db2.gz LRIMRERSBSFZAN-FZMZJTMJSA-N 1 0 391.306 2.693 20 0 GFADRO O=C(C[C@H]1CCC[NH2+]1)NCC1(c2ccc(Br)cc2)CCOCC1 ZINC000155148418 551492561 /nfs/dbraw/zinc/49/25/61/551492561.db2.gz DWKVRHUEHMELLF-MRXNPFEDSA-N 1 0 381.314 2.756 20 0 GFADRO C[C@H](CNS(=O)(=O)c1cc(F)ccc1Br)C[NH+]1CCCC1 ZINC000155390243 551499042 /nfs/dbraw/zinc/49/90/42/551499042.db2.gz YAUADXGLOZXUJN-LLVKDONJSA-N 1 0 379.295 2.598 20 0 GFADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)c1c[nH]c2cccc(Br)c12 ZINC000155576787 551502865 /nfs/dbraw/zinc/50/28/65/551502865.db2.gz OYBZXRHGWIWQEP-LBPRGKRZSA-N 1 0 380.286 2.771 20 0 GFADRO Cc1cccc(S(=O)(=O)N(C)CC2CC[NH+](C)CC2)c1Br ZINC000155938211 551510968 /nfs/dbraw/zinc/51/09/68/551510968.db2.gz ZRFIZBDQDLXGJZ-UHFFFAOYSA-N 1 0 375.332 2.720 20 0 GFADRO O=C(CC[NH+]1CCN(c2ccccc2)CC1)Nc1cncc(Br)c1 ZINC000155929923 551511142 /nfs/dbraw/zinc/51/11/42/551511142.db2.gz DEGHLGNLIWXOMW-UHFFFAOYSA-N 1 0 389.297 2.995 20 0 GFADRO C[C@@H]1CCC[N@@H+]1C1CCN(C(=O)Nc2cc(Br)cn(C)c2=O)CC1 ZINC000156015604 551512565 /nfs/dbraw/zinc/51/25/65/551512565.db2.gz WYAKQSHSNIUPHJ-GFCCVEGCSA-N 1 0 397.317 2.628 20 0 GFADRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)CNC(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000156012689 551512847 /nfs/dbraw/zinc/51/28/47/551512847.db2.gz QRNFMRCENOEIMV-ZDUSSCGKSA-N 1 0 386.323 2.960 20 0 GFADRO CCC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2cc(F)ccc2Br)C1 ZINC000156465385 551523486 /nfs/dbraw/zinc/52/34/86/551523486.db2.gz DRWWWUVBQBWKKK-LBPRGKRZSA-N 1 0 393.322 2.941 20 0 GFADRO C[C@@H](CNC(=O)c1cc(=O)[nH]c2ccc(Br)cc21)C[NH+]1CCCC1 ZINC000156552781 551524668 /nfs/dbraw/zinc/52/46/68/551524668.db2.gz RGNPPPSTMOWTHV-LBPRGKRZSA-N 1 0 392.297 2.752 20 0 GFADRO CC(=O)N1CC[C@@H](C[N@H+](C)C[C@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000156607880 551525602 /nfs/dbraw/zinc/52/56/02/551525602.db2.gz VQECOGMGTFSFIP-KBPBESRZSA-N 1 0 375.296 2.533 20 0 GFADRO C[C@@H]([NH2+]C[C@@H](O)COc1ccc(I)cc1)c1ccncc1 ZINC000156585794 551525664 /nfs/dbraw/zinc/52/56/64/551525664.db2.gz MHYDZLQPBALEFO-IUODEOHRSA-N 1 0 398.244 2.777 20 0 GFADRO C[C@@H]1CCCN(C(=O)[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)[C@@H]1C[NH3+] ZINC000156618078 551526250 /nfs/dbraw/zinc/52/62/50/551526250.db2.gz VLRAZYZLGPLINV-AXAPSJFSSA-N 1 0 384.307 2.932 20 0 GFADRO CC(=O)N1CC[C@@H](C[N@@H+](C)Cc2cc3c(cc2Br)OCCO3)C1 ZINC000156675026 551526438 /nfs/dbraw/zinc/52/64/38/551526438.db2.gz PQKMTWMGRIUSOZ-ZDUSSCGKSA-N 1 0 383.286 2.521 20 0 GFADRO Cn1cc(Br)cc1C[N@H+](C)C[C@@H](O)COCc1ccccc1F ZINC000156895323 551529885 /nfs/dbraw/zinc/52/98/85/551529885.db2.gz OBOZZCYMJJVZGY-MRXNPFEDSA-N 1 0 385.277 2.936 20 0 GFADRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2S(=O)(=O)c2cc(F)ccc2Br)C1 ZINC000156911178 551531006 /nfs/dbraw/zinc/53/10/06/551531006.db2.gz AXRPPEYGSHYPHU-BXUZGUMPSA-N 1 0 391.306 2.693 20 0 GFADRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNS(=O)(=O)c2ccsc2C(=O)OC)C1 ZINC000157450757 551538372 /nfs/dbraw/zinc/53/83/72/551538372.db2.gz JDLLFOWMBXEREP-CYBMUJFWSA-N 1 0 388.555 2.714 20 0 GFADRO Cc1ccc(NC(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)c(Br)c1 ZINC000157702764 551541431 /nfs/dbraw/zinc/54/14/31/551541431.db2.gz XWKRVHDYNGYMJO-CQSZACIVSA-N 1 0 383.334 2.763 20 0 GFADRO [NH3+]C[C@H]1CCC[C@H]1NC(=O)[C@@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1 ZINC000157976469 551545652 /nfs/dbraw/zinc/54/56/52/551545652.db2.gz MHHMBTUAVAMEOR-WQVCFCJDSA-N 1 0 384.307 2.842 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000158131965 551547547 /nfs/dbraw/zinc/54/75/47/551547547.db2.gz CCSRDOHYDGPYQH-UHFFFAOYSA-N 1 0 396.329 2.933 20 0 GFADRO O=C(c1ccc(I)cc1Cl)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000158344408 551550624 /nfs/dbraw/zinc/55/06/24/551550624.db2.gz GMIFPRPCFLBHSE-CQSZACIVSA-N 1 0 390.652 2.770 20 0 GFADRO CCCn1nc(C)c(C[NH2+]CCNS(=O)(=O)c2cc(C)sc2C)c1C ZINC000158374879 551551081 /nfs/dbraw/zinc/55/10/81/551551081.db2.gz QQLMERNCWWRQIK-UHFFFAOYSA-N 1 0 384.571 2.656 20 0 GFADRO COC(=O)c1cc(Cl)ccc1S(=O)(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000158902313 551558210 /nfs/dbraw/zinc/55/82/10/551558210.db2.gz NBYOVYFPTRTDPH-AWEZNQCLSA-N 1 0 388.917 2.622 20 0 GFADRO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000159071244 551560962 /nfs/dbraw/zinc/56/09/62/551560962.db2.gz YQPUCASVDNFSEA-SFHVURJKSA-N 1 0 391.265 2.690 20 0 GFADRO NC(=O)[C@@H]([NH2+][C@@H]1CCCN(c2ccccn2)C1)c1cccc(Br)c1 ZINC000159266527 551563034 /nfs/dbraw/zinc/56/30/34/551563034.db2.gz WHZTZELOJSAPID-WBVHZDCISA-N 1 0 389.297 2.629 20 0 GFADRO Cc1ccc(NC(=O)C(=O)NC[C@@H]2CC[N@@H+](CC(C)C)C2)cc1Br ZINC000159345962 551564240 /nfs/dbraw/zinc/56/42/40/551564240.db2.gz NJDZSBRQJLOYDM-AWEZNQCLSA-N 1 0 396.329 2.790 20 0 GFADRO CC1CC[NH+](C[C@H](O)CNS(=O)(=O)Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000161643139 551597029 /nfs/dbraw/zinc/59/70/29/551597029.db2.gz CNBHFRPQVPGDBU-MRXNPFEDSA-N 1 0 395.352 2.506 20 0 GFADRO Cc1c(C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)cnn1-c1cccc(Br)c1 ZINC000162300317 551606577 /nfs/dbraw/zinc/60/65/77/551606577.db2.gz BIYUNXNJSNTTQN-KGLIPLIRSA-N 1 0 377.286 2.943 20 0 GFADRO CC(C)Sc1ccc([C@@H](C)[NH2+]CCNS(=O)(=O)Cc2ccon2)cc1 ZINC000162388914 551607656 /nfs/dbraw/zinc/60/76/56/551607656.db2.gz CRFDOIDJVZWZLY-CQSZACIVSA-N 1 0 383.539 2.945 20 0 GFADRO C[C@@H]([NH2+]CCNS(=O)(=O)Cc1ccon1)c1cc(Cl)cc(Cl)c1 ZINC000162421432 551607708 /nfs/dbraw/zinc/60/77/08/551607708.db2.gz ZSGRITAMMKMLDF-SNVBAGLBSA-N 1 0 378.281 2.752 20 0 GFADRO CC(C)Sc1ccc([C@H](C)[NH2+]CCNS(=O)(=O)Cc2ccon2)cc1 ZINC000162389018 551608122 /nfs/dbraw/zinc/60/81/22/551608122.db2.gz CRFDOIDJVZWZLY-AWEZNQCLSA-N 1 0 383.539 2.945 20 0 GFADRO Cc1nc(NC(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)ccc1Br ZINC000162535585 551609764 /nfs/dbraw/zinc/60/97/64/551609764.db2.gz COQOULWILNGTBV-AWEZNQCLSA-N 1 0 397.317 2.729 20 0 GFADRO Cc1[nH]c(=O)c(C(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)cc1Br ZINC000163177887 551617374 /nfs/dbraw/zinc/61/73/74/551617374.db2.gz RBJORPQMELBLSS-ZDUSSCGKSA-N 1 0 382.302 2.806 20 0 GFADRO CC[N@@H+]1CCCN(C(=O)C(=O)Nc2ccc(Cl)c(Br)c2)CC1 ZINC000163261016 551618493 /nfs/dbraw/zinc/61/84/93/551618493.db2.gz VAPTZPXJNAJSJO-UHFFFAOYSA-N 1 0 388.693 2.595 20 0 GFADRO O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000164531507 551626565 /nfs/dbraw/zinc/62/65/65/551626565.db2.gz VEHYZSMGXKGAJE-LQDVMPOASA-N 1 0 383.323 2.958 20 0 GFADRO COc1ccc([C@@H](C)[NH2+][C@H](C(=O)N2CCOCC2)C(C)C)cc1Br ZINC000164840935 551627524 /nfs/dbraw/zinc/62/75/24/551627524.db2.gz QZMSWIUXKGMSNA-DYVFJYSZSA-N 1 0 399.329 2.992 20 0 GFADRO C[NH+](C)C[C@H](O)COc1ccc(NC(=O)c2occc2Br)cc1 ZINC000164843936 551627592 /nfs/dbraw/zinc/62/75/92/551627592.db2.gz WHWAYDKTUYXUSI-LBPRGKRZSA-N 1 0 383.242 2.596 20 0 GFADRO Cc1ccc(S(=O)(=O)N2CCC([NH2+]C[C@H]3CSCCS3)CC2)cc1 ZINC000165740653 551629456 /nfs/dbraw/zinc/62/94/56/551629456.db2.gz DUAPIMNVRDHTKT-INIZCTEOSA-N 1 0 386.608 2.586 20 0 GFADRO C[C@H](CCNC(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1)[S@@](C)=O ZINC000169133303 551634735 /nfs/dbraw/zinc/63/47/35/551634735.db2.gz JFTUBTUMKAIVQB-BZQUYTCOSA-N 1 0 383.583 2.557 20 0 GFADRO Cc1c(Br)cccc1NC(=O)C(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000170704251 551638199 /nfs/dbraw/zinc/63/81/99/551638199.db2.gz UALLKTBUHUPHQI-UHFFFAOYSA-N 1 0 396.329 2.886 20 0 GFADRO COC[C@]1(CNC(=O)Nc2cc(F)c(Br)cc2F)CCC[NH2+]1 ZINC000415345288 563768817 /nfs/dbraw/zinc/76/88/17/563768817.db2.gz ALKWSPKFWOOTEG-CQSZACIVSA-N 1 0 378.217 2.617 20 0 GFADRO C[C@H](NC(=O)N1CC[C@H]([NH+](C)C)C1)c1cc2c(cc1Br)OCCO2 ZINC000170832502 551640938 /nfs/dbraw/zinc/64/09/38/551640938.db2.gz ISUMUIZMIAITTR-RYUDHWBXSA-N 1 0 398.301 2.627 20 0 GFADRO COCC[N@H+](C)CCNC(=O)CCOc1ccc(Cl)cc1Br ZINC000171138639 551648462 /nfs/dbraw/zinc/64/84/62/551648462.db2.gz BODBLKBTHIUGER-UHFFFAOYSA-N 1 0 393.709 2.566 20 0 GFADRO O=C(c1cnn(-c2ccc(Br)cc2)c1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000171440022 551655547 /nfs/dbraw/zinc/65/55/47/551655547.db2.gz XVYIUPHACAPRHA-QGZVFWFLSA-N 1 0 389.297 2.945 20 0 GFADRO CC1(C)CN(C(=O)Nc2cccc(F)c2I)CC[NH2+]1 ZINC000415352608 563769469 /nfs/dbraw/zinc/76/94/69/563769469.db2.gz BLTZCCCVPMTYKC-UHFFFAOYSA-N 1 0 377.201 2.646 20 0 GFADRO C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000171925696 551666877 /nfs/dbraw/zinc/66/68/77/551666877.db2.gz FSJYASXOYOZIJB-VHSXEESVSA-N 1 0 377.794 2.883 20 0 GFADRO C[C@@H]1Cc2cc(S(=O)(=O)NC3CC[NH+](CC4CC4)CC3)cc(Cl)c2O1 ZINC000172448282 551679533 /nfs/dbraw/zinc/67/95/33/551679533.db2.gz KAHWAHTZGAEMQS-GFCCVEGCSA-N 1 0 384.929 2.816 20 0 GFADRO O=C(NCc1cccc(Br)c1)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000172495353 551680454 /nfs/dbraw/zinc/68/04/54/551680454.db2.gz OEFUHIQLTIOZHG-HNNXBMFYSA-N 1 0 396.329 2.749 20 0 GFADRO Cc1ccc(CN(CC[NH+](C)C)S(=O)(=O)c2cc(F)c(F)c(F)c2)o1 ZINC000173050972 551693508 /nfs/dbraw/zinc/69/35/08/551693508.db2.gz DRAOFROHVTYNGM-UHFFFAOYSA-N 1 0 376.400 2.758 20 0 GFADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)c1sc(C)c(Br)c1OC ZINC000173074417 551694817 /nfs/dbraw/zinc/69/48/17/551694817.db2.gz ITPQAMVCLAQAEQ-NSHDSACASA-N 1 0 391.331 2.668 20 0 GFADRO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)c2ccc(F)c(Br)c2)CC1 ZINC000173123655 552078002 /nfs/dbraw/zinc/07/80/02/552078002.db2.gz ARCYHTBYZRZISR-HNNXBMFYSA-N 1 0 398.320 2.830 20 0 GFADRO Cc1nc(SCCC(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)n[nH]1 ZINC000173195811 552079077 /nfs/dbraw/zinc/07/90/77/552079077.db2.gz ZJEVEDWLTUQVHU-BBRMVZONSA-N 1 0 379.555 2.856 20 0 GFADRO Cc1cc(N2CC[C@H]([NH2+][C@H]3CCc4c3cccc4Br)C2=O)n(C)n1 ZINC000174049064 552097337 /nfs/dbraw/zinc/09/73/37/552097337.db2.gz DXQIPQVJRXJAHM-HOTGVXAUSA-N 1 0 389.297 2.873 20 0 GFADRO COCCOC[C@H]1CC[N@H+](Cc2nc(-c3cccc(Br)c3)no2)C1 ZINC000174110112 552098827 /nfs/dbraw/zinc/09/88/27/552098827.db2.gz GTZUXOQASODAAK-ZDUSSCGKSA-N 1 0 396.285 2.984 20 0 GFADRO COCCOC[C@@H]1CC[N@H+](Cc2ccc(OC)c(OC)c2Br)C1 ZINC000174118649 552099654 /nfs/dbraw/zinc/09/96/54/552099654.db2.gz ANEKTBHHIUSAOU-CYBMUJFWSA-N 1 0 388.302 2.951 20 0 GFADRO CC[NH+](CC)[C@H]1CCN(C(=O)c2cc(Br)c3c(c2)OCCO3)C1 ZINC000174178113 552101142 /nfs/dbraw/zinc/10/11/42/552101142.db2.gz QRTCJVPLNDJVNR-ZDUSSCGKSA-N 1 0 383.286 2.777 20 0 GFADRO C[C@@H]1C[C@@H](N(C)C(=O)NCCOc2cccc(Br)c2)CC[N@@H+]1C ZINC000174220579 552102426 /nfs/dbraw/zinc/10/24/26/552102426.db2.gz CKFBKBXCBUMADB-HIFRSBDPSA-N 1 0 384.318 2.952 20 0 GFADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2csc(I)c2)C1 ZINC000174503131 552105824 /nfs/dbraw/zinc/10/58/24/552105824.db2.gz RTINOJXPJFLRDZ-JTQLQIEISA-N 1 0 378.279 2.767 20 0 GFADRO C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)Nc1ccc(Br)c(F)c1 ZINC000174636788 552107530 /nfs/dbraw/zinc/10/75/30/552107530.db2.gz JGDFGQOIWLANBH-NSHDSACASA-N 1 0 386.265 2.517 20 0 GFADRO Cc1cccc(C(=O)N2CC[C@@H]3CC[C@H](C2)[N@@H+]3C)c1I ZINC000174662292 552108133 /nfs/dbraw/zinc/10/81/33/552108133.db2.gz YRCUAQDSJIBGQJ-QWHCGFSZSA-N 1 0 384.261 2.908 20 0 GFADRO CNC(=O)CC1CC[NH+](CCC(=O)Nc2cccc(Br)c2)CC1 ZINC000175010890 552113499 /nfs/dbraw/zinc/11/34/99/552113499.db2.gz MTHXJCZCMUHIMX-UHFFFAOYSA-N 1 0 382.302 2.626 20 0 GFADRO COc1ccc(Br)c(S(=O)(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)c1 ZINC000175080374 552115115 /nfs/dbraw/zinc/11/51/15/552115115.db2.gz JEMRUPHAWLMCOQ-VXGBXAGGSA-N 1 0 391.331 2.609 20 0 GFADRO COc1cc(Br)c(OCC[N@H+](C)CCO)cc1Br ZINC000175075341 552115276 /nfs/dbraw/zinc/11/52/76/552115276.db2.gz PYWKHMDKLCKJMD-UHFFFAOYSA-N 1 0 383.080 2.523 20 0 GFADRO Cc1cc(=O)n2nc(C[N@@H+]3CCC[C@H]3C[C@H](O)c3cccs3)sc2n1 ZINC000175814064 552129974 /nfs/dbraw/zinc/12/99/74/552129974.db2.gz KCCZYHDYGDSDKV-STQMWFEESA-N 1 0 376.507 2.609 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)Nc1cccc(S(=O)(=O)C(F)F)c1 ZINC000176340286 552138812 /nfs/dbraw/zinc/13/88/12/552138812.db2.gz WYHPNXMNMKOWEK-CYBMUJFWSA-N 1 0 375.441 2.631 20 0 GFADRO O=C(Nc1cccc(Br)c1)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000176371027 552139220 /nfs/dbraw/zinc/13/92/20/552139220.db2.gz FEUYMIAFVGVPCV-UHFFFAOYSA-N 1 0 394.313 2.911 20 0 GFADRO CC1(O)CC[NH+](CCCOc2cccc(I)c2)CC1 ZINC000177323333 552153528 /nfs/dbraw/zinc/15/35/28/552153528.db2.gz OTIGQJLKRCFCCB-UHFFFAOYSA-N 1 0 375.250 2.907 20 0 GFADRO CC[C@H](C)C[N@H+](CC)CC(=O)NCC(=O)Nc1ccccc1Br ZINC000177860267 552159914 /nfs/dbraw/zinc/15/99/14/552159914.db2.gz ZXHJOOXRHVWWJU-ZDUSSCGKSA-N 1 0 384.318 2.872 20 0 GFADRO Cn1cc(Br)cc(NC(=O)NC[C@H](c2cccs2)[NH+](C)C)c1=O ZINC000177978701 552162248 /nfs/dbraw/zinc/16/22/48/552162248.db2.gz ZVDCCSKLPQQWMN-GFCCVEGCSA-N 1 0 399.314 2.634 20 0 GFADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc(NS(C)(=O)=O)c(Cl)c2)C1 ZINC000178039307 552163207 /nfs/dbraw/zinc/16/32/07/552163207.db2.gz LRQVBCNPBRGMQD-LBPRGKRZSA-N 1 0 388.921 2.517 20 0 GFADRO C[C@@H]([NH3+])c1ccc(NC(=O)c2sccc2S(=O)(=O)N2CCCC2)cc1 ZINC000178195482 552167026 /nfs/dbraw/zinc/16/70/26/552167026.db2.gz ZDRPCTIYGIDMGA-GFCCVEGCSA-N 1 0 379.507 2.805 20 0 GFADRO C[C@@H](Cn1cc(Br)cn1)[NH2+]CC(=O)Nc1ccc(F)c(F)c1F ZINC000178202238 552167064 /nfs/dbraw/zinc/16/70/64/552167064.db2.gz GJEOTNZQUXYYMH-QMMMGPOBSA-N 1 0 391.191 2.680 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)C[C@H](C)C1CC[NH2+]CC1 ZINC000178335452 552168963 /nfs/dbraw/zinc/16/89/63/552168963.db2.gz KQFHBJIJDDKIFO-LBPRGKRZSA-N 1 0 396.329 2.838 20 0 GFADRO C[C@H]([NH2+]CCNC(=O)c1ccco1)c1ccc(I)cc1 ZINC000178492406 552171320 /nfs/dbraw/zinc/17/13/20/552171320.db2.gz FAFVMONOAOQKGT-NSHDSACASA-N 1 0 384.217 2.965 20 0 GFADRO O=S(=O)(c1cc(F)ccc1Br)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000178873464 552178327 /nfs/dbraw/zinc/17/83/27/552178327.db2.gz XXAQWPPPGMPBOG-CYBMUJFWSA-N 1 0 391.306 2.837 20 0 GFADRO CCCN(C(=O)C[C@H](NC(C)=O)c1ccc(Br)cc1)[C@H]1CC[NH2+]C1 ZINC000178925681 552179334 /nfs/dbraw/zinc/17/93/34/552179334.db2.gz VWJZQELBMMHLLH-IRXDYDNUSA-N 1 0 396.329 2.617 20 0 GFADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)NC(C)(C)c1ccccc1Br ZINC000178972032 552181294 /nfs/dbraw/zinc/18/12/94/552181294.db2.gz VLQRWLPIHMCYGT-CQSZACIVSA-N 1 0 397.361 2.619 20 0 GFADRO CCn1cc(Br)cc1C(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000179478163 552194461 /nfs/dbraw/zinc/19/44/61/552194461.db2.gz LVHJTZVYUQDUAE-UHFFFAOYSA-N 1 0 395.301 2.536 20 0 GFADRO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)c1cccnc1Br ZINC000179556979 552196232 /nfs/dbraw/zinc/19/62/32/552196232.db2.gz QCFHHRKYMCSLGB-UHFFFAOYSA-N 1 0 375.270 2.886 20 0 GFADRO COc1cc(NC(=O)NCC2CC[NH+](C)CC2)cc(OC)c1Br ZINC000179925149 552207134 /nfs/dbraw/zinc/20/71/34/552207134.db2.gz ZQTDHEXDRYXOBF-UHFFFAOYSA-N 1 0 386.290 2.930 20 0 GFADRO CC(C)Cc1ncc(C[NH2+]CCOc2ccc(NS(C)(=O)=O)cc2)s1 ZINC000180353445 552223655 /nfs/dbraw/zinc/22/36/55/552223655.db2.gz VGYMRGFIGMLROR-UHFFFAOYSA-N 1 0 383.539 2.882 20 0 GFADRO C[N@H+](Cc1c(Cl)cccc1N1CCCC1)C1CCN(S(C)(=O)=O)CC1 ZINC000180722169 552233789 /nfs/dbraw/zinc/23/37/89/552233789.db2.gz BDCQZIYEWHFCGC-UHFFFAOYSA-N 1 0 385.961 2.796 20 0 GFADRO CC(C)N1CC[C@@H]([NH2+][C@H](C)CC(=O)Nc2ccc(Br)cc2)C1=O ZINC000180905233 552239357 /nfs/dbraw/zinc/23/93/57/552239357.db2.gz SQLBHHKCJYCYPB-IUODEOHRSA-N 1 0 382.302 2.765 20 0 GFADRO COc1cc([C@H](C)[NH2+]CCOc2ccc(Cl)cn2)ccc1S(C)(=O)=O ZINC000181325454 552253437 /nfs/dbraw/zinc/25/34/37/552253437.db2.gz SPODXCPRDHZCKP-LBPRGKRZSA-N 1 0 384.885 2.877 20 0 GFADRO [NH3+]CCOc1ccc(NC(=O)[C@@H]2COc3ccc(Br)cc32)cc1 ZINC000181423841 552256068 /nfs/dbraw/zinc/25/60/68/552256068.db2.gz QDUIPGWLXHQUEL-OAHLLOKOSA-N 1 0 377.238 2.901 20 0 GFADRO C[C@@H](CC(=O)Nc1cccnc1Cl)[NH2+]Cc1cn(C)nc1C(F)(F)F ZINC000181582579 552261704 /nfs/dbraw/zinc/26/17/04/552261704.db2.gz LCKPFZVQRUNDFR-VIFPVBQESA-N 1 0 375.782 2.994 20 0 GFADRO COc1ccc2c(c1)CCC[C@H]2[NH2+]C[C@H](O)CS(=O)(=O)c1cccs1 ZINC000181635372 552263671 /nfs/dbraw/zinc/26/36/71/552263671.db2.gz UPMROXXUONJELT-WMLDXEAASA-N 1 0 381.519 2.559 20 0 GFADRO CCOC(=O)COc1c(Br)cc(C)cc1C[NH2+]C[C@@H]1CCCO1 ZINC000182242788 552278863 /nfs/dbraw/zinc/27/88/63/552278863.db2.gz HIQPJJDLYYVZRV-AWEZNQCLSA-N 1 0 386.286 2.968 20 0 GFADRO CC[NH+](CC)CCCC1CCN(S(=O)(=O)c2cc(Cl)cnc2N)CC1 ZINC000182380664 552282687 /nfs/dbraw/zinc/28/26/87/552282687.db2.gz BCMKKRIBDGCNEI-UHFFFAOYSA-N 1 0 388.965 2.840 20 0 GFADRO Cc1cc(NC(=O)N2CCC([N@H+]3CCO[C@@H](C)C3)CC2)cnc1Br ZINC000182416874 552283236 /nfs/dbraw/zinc/28/32/36/552283236.db2.gz VQDGFXPXSPVQTL-ZDUSSCGKSA-N 1 0 397.317 2.870 20 0 GFADRO CN(CCCN1CC[NH+](C)CC1)C(=O)NCCc1cc(Cl)cc(Cl)c1 ZINC000182487773 552285554 /nfs/dbraw/zinc/28/55/54/552285554.db2.gz ZTXZVUQMKIFUKY-UHFFFAOYSA-N 1 0 387.355 2.815 20 0 GFADRO CCC[NH+]1CCC(CNS(=O)(=O)c2ccc(OCC(F)F)cc2)CC1 ZINC000182547782 552287055 /nfs/dbraw/zinc/28/70/55/552287055.db2.gz CWUHUCRAAVULIT-UHFFFAOYSA-N 1 0 376.469 2.731 20 0 GFADRO CCS(=O)(=O)C[C@H](C)[NH2+]C[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000182624591 552289046 /nfs/dbraw/zinc/28/90/46/552289046.db2.gz ODSZOGNCWCBMPF-UONOGXRCSA-N 1 0 389.359 2.688 20 0 GFADRO CCOC(=O)C[C@H](C)[N@H+](C)CC(=O)N[C@@H](C)c1ccc(Br)cc1 ZINC000182629144 552289378 /nfs/dbraw/zinc/28/93/78/552289378.db2.gz ZKGPVPSWGIPULO-STQMWFEESA-N 1 0 385.302 2.900 20 0 GFADRO O=C(NC1CC[NH+](Cc2cccnc2)CC1)c1cccnc1Br ZINC000182630728 552289446 /nfs/dbraw/zinc/28/94/46/552289446.db2.gz KJSGMDVDZDIADN-UHFFFAOYSA-N 1 0 375.270 2.634 20 0 GFADRO COc1ccc(C[NH2+][C@H]2CCCC[C@H]2S(C)(=O)=O)cc1Br ZINC000182753388 552292367 /nfs/dbraw/zinc/29/23/67/552292367.db2.gz ZGYYFYLJFPOGAK-DZGCQCFKSA-N 1 0 376.316 2.903 20 0 GFADRO CC[C@@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1)c1cccc(S(N)(=O)=O)c1 ZINC000183008595 552298413 /nfs/dbraw/zinc/29/84/13/552298413.db2.gz DFHURBBUKOXMAU-MRXNPFEDSA-N 1 0 381.885 2.667 20 0 GFADRO CC(C)[NH+](CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1)C(C)C ZINC000183017003 552298758 /nfs/dbraw/zinc/29/87/58/552298758.db2.gz PNOKNBZPYXZCPR-UHFFFAOYSA-N 1 0 375.922 2.648 20 0 GFADRO COc1ccc(Cl)cc1NC(=O)CC[NH2+][C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000183069139 552299824 /nfs/dbraw/zinc/29/98/24/552299824.db2.gz XPCMDZCSGRORNG-XJKSGUPXSA-N 1 0 388.917 2.623 20 0 GFADRO C[C@H](CCNC(=O)c1ccc(Cl)c(NS(C)(=O)=O)c1)[NH+]1CCCCC1 ZINC000183143748 552301521 /nfs/dbraw/zinc/30/15/21/552301521.db2.gz QWHBBNXPJFZIDE-CYBMUJFWSA-N 1 0 387.933 2.706 20 0 GFADRO C[S@@](=O)C[C@@H]([NH2+]C[C@H](O)COCc1ccccc1Cl)c1ccccc1 ZINC000183167180 552301979 /nfs/dbraw/zinc/30/19/79/552301979.db2.gz RWXJQXHJZKDJHV-SXMMONRFSA-N 1 0 381.925 2.927 20 0 GFADRO O=C(Nc1ccc(Br)cn1)[C@H]1CCC[N@H+](CCCn2ccnc2)C1 ZINC000183188129 552302788 /nfs/dbraw/zinc/30/27/88/552302788.db2.gz LEOBGSCEFLCUSZ-AWEZNQCLSA-N 1 0 392.301 2.781 20 0 GFADRO C[NH+](C)CC(C)(C)CNC(=O)C(=O)Nc1ccc(Cl)cc1OC(F)F ZINC000183522040 552311591 /nfs/dbraw/zinc/31/15/91/552311591.db2.gz KWSDXIJXYLICIN-UHFFFAOYSA-N 1 0 377.819 2.584 20 0 GFADRO COCCCNC(=O)C1CCN(Cc2sc(C)nc2C(F)(F)F)CC1 ZINC000183571887 552313618 /nfs/dbraw/zinc/31/36/18/552313618.db2.gz OYTWDWPTBLUXSM-UHFFFAOYSA-N 1 0 379.448 2.835 20 0 GFADRO C[C@@H](NC(=O)C[NH2+][C@@H](CO)c1ccccc1)c1ccc(Br)cc1 ZINC000183634030 552315230 /nfs/dbraw/zinc/31/52/30/552315230.db2.gz MWIAHCGOKIBCOP-DYVFJYSZSA-N 1 0 377.282 2.950 20 0 GFADRO CN(Cc1cc(Br)cs1)C(=O)C[NH2+][C@H](CO)c1ccccc1 ZINC000183662153 552316331 /nfs/dbraw/zinc/31/63/31/552316331.db2.gz UTAJZSZIBGWVIN-OAHLLOKOSA-N 1 0 383.311 2.792 20 0 GFADRO Fc1cc(C[NH2+]Cc2cncc(Br)c2)cnc1N1CCOCC1 ZINC000183768528 552319041 /nfs/dbraw/zinc/31/90/41/552319041.db2.gz BTUSXBSKPFYUJS-UHFFFAOYSA-N 1 0 381.249 2.505 20 0 GFADRO O=C(NCc1ccccc1C[N@H+]1CC[C@H](O)C1)c1nc(Cl)ccc1Cl ZINC000183779140 552319228 /nfs/dbraw/zinc/31/92/28/552319228.db2.gz YVKJXHGPYRRPHW-AWEZNQCLSA-N 1 0 380.275 2.885 20 0 GFADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000184310105 552332080 /nfs/dbraw/zinc/33/20/80/552332080.db2.gz BPFSUDFJASJJCN-KGLIPLIRSA-N 1 0 388.339 2.903 20 0 GFADRO C[NH+](C)C[C@@H]1CN(C(=O)Nc2nc(-c3ccccc3Cl)ns2)CCO1 ZINC000184384982 552334678 /nfs/dbraw/zinc/33/46/78/552334678.db2.gz DBQAODNDMBWKJE-LLVKDONJSA-N 1 0 381.889 2.653 20 0 GFADRO C[C@H]([NH2+]CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1)C1CCCC1 ZINC000184669630 552341546 /nfs/dbraw/zinc/34/15/46/552341546.db2.gz VRABMQWTDGCBFJ-LBPRGKRZSA-N 1 0 387.933 2.697 20 0 GFADRO CC[NH+]1CCN(c2cccc(NC(=O)NC[C@H]3CSCCS3)c2)CC1 ZINC000184894331 552347207 /nfs/dbraw/zinc/34/72/07/552347207.db2.gz FLJRASVSSFWBSL-KRWDZBQOSA-N 1 0 380.583 2.799 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2ccc(Br)cc2F)[C@H](C)C1 ZINC000184915323 552347726 /nfs/dbraw/zinc/34/77/26/552347726.db2.gz MVPFFXPRARNMKX-BXUZGUMPSA-N 1 0 393.322 2.939 20 0 GFADRO O=S(=O)(CC[NH2+]Cc1sccc1Br)NCc1ccccc1 ZINC000185024371 552351082 /nfs/dbraw/zinc/35/10/82/552351082.db2.gz ZOAGPSXRZUULHM-UHFFFAOYSA-N 1 0 389.340 2.720 20 0 GFADRO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000185175469 552356274 /nfs/dbraw/zinc/35/62/74/552356274.db2.gz LMBXVYTXTWUEEN-ZLKJLUDKSA-N 1 0 391.265 2.673 20 0 GFADRO Cc1cc(NC(=O)[C@@H](C)N2CCO[C@]3(CCOC3)C2)ccc1Br ZINC000185178894 552356489 /nfs/dbraw/zinc/35/64/89/552356489.db2.gz MVTNCBRZYAXWHK-CXAGYDPISA-N 1 0 383.286 2.576 20 0 GFADRO CSc1ccc(S(=O)(=O)NCCCC[N@@H+]2CCC[C@@H]2CO)cc1Cl ZINC000185717971 552369775 /nfs/dbraw/zinc/36/97/75/552369775.db2.gz SVUNNBLKJVEZTD-CYBMUJFWSA-N 1 0 392.974 2.577 20 0 GFADRO CN(C[C@@H](O)C(F)(F)F)C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000185810015 552371524 /nfs/dbraw/zinc/37/15/24/552371524.db2.gz KUWPKYLEVDNMHK-GXTWGEPZSA-N 1 0 379.448 2.525 20 0 GFADRO C[C@]1(C(N)=O)CCCC[N@@H+]1CCC(=O)Nc1ccc(Br)cc1F ZINC000185884305 552372818 /nfs/dbraw/zinc/37/28/18/552372818.db2.gz MVTAGGFRRKASEZ-MRXNPFEDSA-N 1 0 386.265 2.647 20 0 GFADRO C[C@H](C[S@@](C)=O)[NH2+]Cc1cc(Br)cc(Br)c1N ZINC000185897527 552373260 /nfs/dbraw/zinc/37/32/60/552373260.db2.gz ZTRXFGMILXONRX-IWEMQMMOSA-N 1 0 384.137 2.650 20 0 GFADRO CC[C@H](Cc1ccccc1Br)[N@H+](C)CCC(=O)N1CCOCC1 ZINC000185929907 552374646 /nfs/dbraw/zinc/37/46/46/552374646.db2.gz WEBCAOSBEOEDAG-MRXNPFEDSA-N 1 0 383.330 2.951 20 0 GFADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N[C@H](C)c1cccc(Cl)c1 ZINC000186604053 552391776 /nfs/dbraw/zinc/39/17/76/552391776.db2.gz XCUWLHFPANIUMU-GFCCVEGCSA-N 1 0 384.933 2.754 20 0 GFADRO CN(CC[N@H+](C)C1CC1)C(=O)Nc1cc(Br)cnc1-n1cccn1 ZINC000186768821 552397244 /nfs/dbraw/zinc/39/72/44/552397244.db2.gz XFKYQHREGNUQOM-UHFFFAOYSA-N 1 0 393.289 2.588 20 0 GFADRO CSCCCCC[NH2+][C@H](C)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000186773282 552397782 /nfs/dbraw/zinc/39/77/82/552397782.db2.gz SHMMZSHKIUNXRK-MRXNPFEDSA-N 1 0 386.583 2.891 20 0 GFADRO Cc1c(C(=O)N[C@H]2C[NH2+]CC[C@@H]2C)cnn1-c1cccc(Br)c1 ZINC000186881330 552400294 /nfs/dbraw/zinc/40/02/94/552400294.db2.gz ZIVNVHDJAQZYHV-ZBEGNZNMSA-N 1 0 377.286 2.671 20 0 GFADRO Cc1nn(-c2ccc(C(=O)N[C@H]3C[NH2+]CC[C@H]3C)cc2)c(C)c1Br ZINC000186891490 552400576 /nfs/dbraw/zinc/40/05/76/552400576.db2.gz MMLYGEWXKIVNPJ-BZNIZROVSA-N 1 0 391.313 2.979 20 0 GFADRO COc1cnccc1[C@H](C)[NH2+]C[C@@H](O)COc1cccc(Br)c1 ZINC000187079449 552405857 /nfs/dbraw/zinc/40/58/57/552405857.db2.gz HUTIPZRMAPKSAM-GXTWGEPZSA-N 1 0 381.270 2.943 20 0 GFADRO CCO[C@H]1C[C@@]([NH3+])(C(=O)NCC(=O)Nc2cc(Cl)ccc2Cl)C1(C)C ZINC000187236324 552409946 /nfs/dbraw/zinc/40/99/46/552409946.db2.gz YDBQJWUMPZYXFZ-SUMWQHHRSA-N 1 0 388.295 2.581 20 0 GFADRO C[C@@H]([NH2+]CCOc1ccc(Br)cc1)C1CCS(=O)(=O)CC1 ZINC000187320132 552412133 /nfs/dbraw/zinc/41/21/33/552412133.db2.gz REBFHPLFGSAZQV-GFCCVEGCSA-N 1 0 376.316 2.631 20 0 GFADRO CN(CCC[NH+](C)C)C(=O)C(=O)Nc1cccnc1-c1ccc(Cl)s1 ZINC000187475994 552416376 /nfs/dbraw/zinc/41/63/76/552416376.db2.gz AYPLSNRLKBYRNN-UHFFFAOYSA-N 1 0 380.901 2.812 20 0 GFADRO C[C@@](O)(CC[NH2+][C@@H](C(N)=O)c1cccc(Br)c1)c1ccccc1 ZINC000187669531 552421345 /nfs/dbraw/zinc/42/13/45/552421345.db2.gz ODCUKKVQPPGJRD-SJLPKXTDSA-N 1 0 377.282 2.863 20 0 GFADRO C[C@](O)(CC[NH2+][C@H](C(N)=O)c1cccc(Br)c1)c1ccccc1 ZINC000187669513 552421438 /nfs/dbraw/zinc/42/14/38/552421438.db2.gz ODCUKKVQPPGJRD-WMZOPIPTSA-N 1 0 377.282 2.863 20 0 GFADRO CN(CC[N@H+](C)C1CC1)C(=O)C(=O)Nc1cc(Cl)cc(C(F)(F)F)c1 ZINC000187732618 552423140 /nfs/dbraw/zinc/42/31/40/552423140.db2.gz BPJNWCMISIVEIK-UHFFFAOYSA-N 1 0 377.794 2.850 20 0 GFADRO C[NH+]1CCC(NC(=O)C(=O)Nc2cccnc2-c2ccc(Cl)s2)CC1 ZINC000187770448 552423746 /nfs/dbraw/zinc/42/37/46/552423746.db2.gz BDYDDKMRCRGAEH-UHFFFAOYSA-N 1 0 378.885 2.612 20 0 GFADRO CCO[C@H]1C[C@@]([NH3+])(C(=O)N2CCc3cccc(Br)c3C2)C1(C)C ZINC000187806775 552424906 /nfs/dbraw/zinc/42/49/06/552424906.db2.gz NTHNUVKCXZALGV-MAUKXSAKSA-N 1 0 381.314 2.866 20 0 GFADRO Cc1cc(Br)cc(NC(=O)C(=O)NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)c1 ZINC000188058207 552433116 /nfs/dbraw/zinc/43/31/16/552433116.db2.gz AKGFUXMPJRAOCU-JSGCOSHPSA-N 1 0 396.329 2.933 20 0 GFADRO Cc1cc(Br)cc(NC(=O)C(=O)NC[C@H](C(C)C)[NH+]2CCCC2)c1 ZINC000188074027 552433962 /nfs/dbraw/zinc/43/39/62/552433962.db2.gz VEIVYXVXQYTHBL-MRXNPFEDSA-N 1 0 396.329 2.933 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)cc1Br ZINC000188126559 552436051 /nfs/dbraw/zinc/43/60/51/552436051.db2.gz SVKSIWTWOQXUBI-STQMWFEESA-N 1 0 394.313 2.746 20 0 GFADRO C[C@@H](Oc1cccc(Br)c1)C(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000188616217 552450378 /nfs/dbraw/zinc/45/03/78/552450378.db2.gz CCVDVAYQOVQSFC-UONOGXRCSA-N 1 0 399.329 2.520 20 0 GFADRO COc1cc(C[NH2+]Cc2ccc(Br)cc2N2CCOCC2)ccn1 ZINC000188693790 552451835 /nfs/dbraw/zinc/45/18/35/552451835.db2.gz BXEDTYZHOSUOOK-UHFFFAOYSA-N 1 0 392.297 2.979 20 0 GFADRO C[C@H]1CN(C(=O)Cc2csc(-c3cccs3)n2)CC[N@@H+]1CC(C)(C)O ZINC000188692474 552452126 /nfs/dbraw/zinc/45/21/26/552452126.db2.gz GJVNLHLBEMPXPX-ZDUSSCGKSA-N 1 0 379.551 2.718 20 0 GFADRO CC(C)n1cc(Br)cc1C(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000188701493 552452562 /nfs/dbraw/zinc/45/25/62/552452562.db2.gz FMQJFSXVIFBVMH-CYBMUJFWSA-N 1 0 386.334 2.749 20 0 GFADRO CC[NH+]1CCN([C@H](C)CNS(=O)(=O)c2cc(Cl)c(C)c(Cl)c2)CC1 ZINC000189114588 552463544 /nfs/dbraw/zinc/46/35/44/552463544.db2.gz VTLWXUPZXIMMEW-GFCCVEGCSA-N 1 0 394.368 2.606 20 0 GFADRO C[C@@H](O)C[NH+]1CCN(Cc2cc(Br)ccc2OC(F)F)CC1 ZINC000189348697 552468978 /nfs/dbraw/zinc/46/89/78/552468978.db2.gz DMKIIDURIXCCLJ-LLVKDONJSA-N 1 0 379.245 2.549 20 0 GFADRO CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+]C[C@H](O)CC(F)(F)F)cc1 ZINC000189343023 552468993 /nfs/dbraw/zinc/46/89/93/552468993.db2.gz CRNDMQCEVWHDNW-GXTWGEPZSA-N 1 0 382.448 2.681 20 0 GFADRO C[C@@H](CNC(=O)Nc1ccc(Cl)c(S(C)(=O)=O)c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000189886828 552482269 /nfs/dbraw/zinc/48/22/69/552482269.db2.gz QUBBFVGQVLBELC-OLZOCXBDSA-N 1 0 387.933 2.985 20 0 GFADRO C[C@H]1CN(CCC(=O)Nc2ccccc2Br)CC[N@@H+]1CC(C)(C)O ZINC000189952028 552483706 /nfs/dbraw/zinc/48/37/06/552483706.db2.gz AIVKXVKXWMIHMS-AWEZNQCLSA-N 1 0 398.345 2.555 20 0 GFADRO Cc1cc(NC(=O)C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)cc(C)c1Br ZINC000190320337 552492674 /nfs/dbraw/zinc/49/26/74/552492674.db2.gz UGYPHZSKJKPIQX-CYBMUJFWSA-N 1 0 394.313 2.605 20 0 GFADRO C[N@H+](CC(=O)Nc1c(Cl)cccc1C(F)(F)F)C1(CO)CCOCC1 ZINC000191026992 552516745 /nfs/dbraw/zinc/51/67/45/552516745.db2.gz AJJFYCSUXUKGFH-UHFFFAOYSA-N 1 0 380.794 2.771 20 0 GFADRO C[C@H](NC(=O)C[N@H+](C)C1(CO)CCOCC1)c1ccc(Cl)cc1Cl ZINC000191040649 552517428 /nfs/dbraw/zinc/51/74/28/552517428.db2.gz PMHXNBCDKWLCLA-LBPRGKRZSA-N 1 0 375.296 2.644 20 0 GFADRO COc1cc(Cl)c(Cl)cc1NC(=O)N[C@@H](C)CN1CC[NH+](C)CC1 ZINC000191267179 552523290 /nfs/dbraw/zinc/52/32/90/552523290.db2.gz KEIOPHBRXBCJMW-NSHDSACASA-N 1 0 375.300 2.759 20 0 GFADRO COc1ccc2c(c1)[C@@H]([NH2+]C1CCN(S(=O)(=O)C3CC3)CC1)CCS2 ZINC000191534097 552530886 /nfs/dbraw/zinc/53/08/86/552530886.db2.gz WMJKHXGDEZPPHO-KRWDZBQOSA-N 1 0 382.551 2.778 20 0 GFADRO Cc1c(Br)cccc1CC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000191921882 552542811 /nfs/dbraw/zinc/54/28/11/552542811.db2.gz MAMAXSJDXJNLNY-OAHLLOKOSA-N 1 0 395.341 2.917 20 0 GFADRO C[NH+](C)C1CCN(C(=O)C(=O)Nc2cccc(Cl)c2Br)CC1 ZINC000191991035 552544930 /nfs/dbraw/zinc/54/49/30/552544930.db2.gz LGVKOENMDWGHSR-UHFFFAOYSA-N 1 0 388.693 2.594 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)c2cc(Br)nn2C)CC[N@@H+]1Cc1ccccc1 ZINC000192148366 552553258 /nfs/dbraw/zinc/55/32/58/552553258.db2.gz ISPRITJADCGKNK-UKRRQHHQSA-N 1 0 391.313 2.966 20 0 GFADRO O=C(c1cc(Br)c(F)cc1F)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000192153046 552553554 /nfs/dbraw/zinc/55/35/54/552553554.db2.gz ULVDUQAKYWKJOG-LLVKDONJSA-N 1 0 389.240 2.522 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)c2cc(Br)nn2C)C[N@@H+]1Cc1ccccc1 ZINC000192161704 552554038 /nfs/dbraw/zinc/55/40/38/552554038.db2.gz JYCHUQWEWNXRGH-OCCSQVGLSA-N 1 0 377.286 2.575 20 0 GFADRO Cn1nc(Br)cc1C(=O)N1C[C@H]2CCC[N@@H+]2Cc2ccccc21 ZINC000192195010 552555163 /nfs/dbraw/zinc/55/51/63/552555163.db2.gz QQFKSAOFNGDEQT-CYBMUJFWSA-N 1 0 375.270 2.807 20 0 GFADRO O=S(=O)(c1ccc(Cl)c(Br)c1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000192206593 552555741 /nfs/dbraw/zinc/55/57/41/552555741.db2.gz JQIKUNRRAJXZLV-NSHDSACASA-N 1 0 393.734 2.961 20 0 GFADRO Cc1nccc(N2CCN(C(=O)c3cc(Br)c(F)cc3F)CC2)n1 ZINC000192210503 552556372 /nfs/dbraw/zinc/55/63/72/552556372.db2.gz CBLSCXNAOHWUMR-UHFFFAOYSA-N 1 0 397.223 2.788 20 0 GFADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)Nc1cc2c(cc1Br)CCC2 ZINC000192463509 552564674 /nfs/dbraw/zinc/56/46/74/552564674.db2.gz QAIGKMWHBGGXTD-ZDUSSCGKSA-N 1 0 395.345 2.695 20 0 GFADRO O=C1NC(=O)[C@]2(CCC[N@@H+]([C@@H]3CCCc4ccc(Br)cc43)C2)N1 ZINC000192662873 552971007 /nfs/dbraw/zinc/97/10/07/552971007.db2.gz GFVWOTWUABHAGN-RHSMWYFYSA-N 1 0 378.270 2.501 20 0 GFADRO O=C1NC(=O)[C@]2(CCC[N@@H+]([C@H]3CCCc4ccc(Br)cc43)C2)N1 ZINC000192662886 552971300 /nfs/dbraw/zinc/97/13/00/552971300.db2.gz GFVWOTWUABHAGN-WMLDXEAASA-N 1 0 378.270 2.501 20 0 GFADRO Cc1ccc(NC(=O)C(=O)NCCC[NH+]2CCCCC2)cc1Br ZINC000192843989 552975866 /nfs/dbraw/zinc/97/58/66/552975866.db2.gz KOSNAHQKULNBEY-UHFFFAOYSA-N 1 0 382.302 2.688 20 0 GFADRO O=C(NC1CC[NH+](Cc2cccnc2)CC1)c1ncc(Br)s1 ZINC000192942196 552978650 /nfs/dbraw/zinc/97/86/50/552978650.db2.gz XZKLBJYEVOADNI-UHFFFAOYSA-N 1 0 381.299 2.695 20 0 GFADRO COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000193260632 552987767 /nfs/dbraw/zinc/98/77/67/552987767.db2.gz DHSOLYQEEFHGTR-OLZOCXBDSA-N 1 0 390.933 2.502 20 0 GFADRO Cc1cc(F)c(Br)cc1S(=O)(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000193259895 552987932 /nfs/dbraw/zinc/98/79/32/552987932.db2.gz QTLHIZYJPUXGGB-JTQLQIEISA-N 1 0 379.295 2.645 20 0 GFADRO CN([C@H]1CC[NH2+]C1)S(=O)(=O)c1cc(Br)c(Cl)cc1Cl ZINC000193271301 552988538 /nfs/dbraw/zinc/98/85/38/552988538.db2.gz LADOWIBRJSESMX-ZETCQYMHSA-N 1 0 388.114 2.738 20 0 GFADRO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1cc2c(cc1Br)CCC2 ZINC000193284839 552989091 /nfs/dbraw/zinc/98/90/91/552989091.db2.gz VPAOEXLMNJJFHT-GFCCVEGCSA-N 1 0 396.329 2.723 20 0 GFADRO O=S(=O)(NCC1=CC[NH2+]CC1)c1ccc2cc(Br)ccc2c1 ZINC000193386559 552991507 /nfs/dbraw/zinc/99/15/07/552991507.db2.gz UEIWMLZYEOHIDH-UHFFFAOYSA-N 1 0 381.295 2.800 20 0 GFADRO Cc1cc(S(=O)(=O)NCC2(C)CC[NH2+]CC2)c(C)cc1Br ZINC000193376623 552991840 /nfs/dbraw/zinc/99/18/40/552991840.db2.gz AYZIOGHHMOBHFQ-UHFFFAOYSA-N 1 0 375.332 2.734 20 0 GFADRO C[C@@H]1CCNC(=O)[C@@H]1[NH2+]Cc1ccnc(-c2ccc(Br)cc2)n1 ZINC000193586405 552997524 /nfs/dbraw/zinc/99/75/24/552997524.db2.gz TWAMXMQDBLWXST-IAQYHMDHSA-N 1 0 375.270 2.520 20 0 GFADRO COc1cc(C[NH2+][C@@H]2C(=O)NCC[C@@H]2C)cc(Br)c1OC(F)F ZINC000193679635 552999671 /nfs/dbraw/zinc/99/96/71/552999671.db2.gz NYSJGGKEMQDNRC-UFBFGSQYSA-N 1 0 393.228 2.673 20 0 GFADRO C[NH+](C)C1CCN(C(=O)C(=O)Nc2ccc(Br)cc2Cl)CC1 ZINC000193734904 553001532 /nfs/dbraw/zinc/00/15/32/553001532.db2.gz XLZQUZZHHFRIKQ-UHFFFAOYSA-N 1 0 388.693 2.594 20 0 GFADRO CC(C)C[NH+]1CCN(CC(=O)N(C)Cc2cc(Br)cs2)CC1 ZINC000193880865 553005421 /nfs/dbraw/zinc/00/54/21/553005421.db2.gz CPAFQOJQGIBWKK-UHFFFAOYSA-N 1 0 388.375 2.743 20 0 GFADRO CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(Br)cc2Cl)C1 ZINC000194151125 553013588 /nfs/dbraw/zinc/01/35/88/553013588.db2.gz MPHYAZBNXFWILM-LLVKDONJSA-N 1 0 388.693 2.642 20 0 GFADRO C[NH+](C)CCC1CCN(S(=O)(=O)c2ccccc2Br)CC1 ZINC000194378110 553019223 /nfs/dbraw/zinc/01/92/23/553019223.db2.gz KICNDMZHCPEMJJ-UHFFFAOYSA-N 1 0 375.332 2.802 20 0 GFADRO Cc1csc(NC(=O)CN2CC[C@H](C[N@@H+](C)Cc3scnc3C)C2)n1 ZINC000195254806 553042666 /nfs/dbraw/zinc/04/26/66/553042666.db2.gz HFYVCCOIUKIERH-CQSZACIVSA-N 1 0 379.555 2.609 20 0 GFADRO O=C(c1ccc(COc2cccc(Br)c2)o1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000195261880 553043270 /nfs/dbraw/zinc/04/32/70/553043270.db2.gz JWKGRPUEKXNADB-BETUJISGSA-N 1 0 391.265 2.913 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1CCNS(=O)(=O)N(C)Cc1c(F)cccc1Cl ZINC000195586544 553051411 /nfs/dbraw/zinc/05/14/11/553051411.db2.gz BYNWFWBDWYXDGA-CYBMUJFWSA-N 1 0 377.913 2.620 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000195609009 553051481 /nfs/dbraw/zinc/05/14/81/553051481.db2.gz XWPOKVXOLSAQKV-KGLIPLIRSA-N 1 0 384.307 2.947 20 0 GFADRO Cc1cc(S(=O)(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)sc1Br ZINC000220971821 553055022 /nfs/dbraw/zinc/05/50/22/553055022.db2.gz DKDMRDSWNUGRAV-RYUDHWBXSA-N 1 0 393.372 2.924 20 0 GFADRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1csc(I)c1 ZINC000224041273 553057684 /nfs/dbraw/zinc/05/76/84/553057684.db2.gz VXQXGEYDICVEQQ-QWRGUYRKSA-N 1 0 376.263 2.709 20 0 GFADRO C[NH2+]C[C@@H]1CCCN1C(=O)c1ccc(I)c(Cl)c1 ZINC000226287892 553061268 /nfs/dbraw/zinc/06/12/68/553061268.db2.gz FDJZXEDJIFFURL-JTQLQIEISA-N 1 0 378.641 2.769 20 0 GFADRO C[N@@H+]1CCC[C@@H]2CN(S(=O)(=O)c3sccc3Br)CC[C@H]21 ZINC000227346393 553062686 /nfs/dbraw/zinc/06/26/86/553062686.db2.gz ZFDRRFBRRWMZLU-ZYHUDNBSSA-N 1 0 379.345 2.615 20 0 GFADRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)c1ccc(I)c(Cl)c1 ZINC000228768953 553063722 /nfs/dbraw/zinc/06/37/22/553063722.db2.gz VQANAOOUWJAWPR-RKDXNWHRSA-N 1 0 378.641 2.754 20 0 GFADRO C[C@@H](CN1CCOCC1)[NH2+]Cc1cc(Cl)ccc1I ZINC000235120659 553067956 /nfs/dbraw/zinc/06/79/56/553067956.db2.gz CHTNBSGHUUNMKT-NSHDSACASA-N 1 0 394.684 2.755 20 0 GFADRO CCC(CC)(C[NH3+])NC(=O)c1ccc(OC)cc1I ZINC000236789419 553071567 /nfs/dbraw/zinc/07/15/67/553071567.db2.gz OSSNEXJXZPMFGK-UHFFFAOYSA-N 1 0 376.238 2.547 20 0 GFADRO CC(C)[C@@](C)(C[NH3+])NC(=O)c1nn(-c2ccc(F)cc2)cc1Br ZINC000236601963 553069602 /nfs/dbraw/zinc/06/96/02/553069602.db2.gz AXHBOAAWWLTCFZ-MRXNPFEDSA-N 1 0 383.265 2.877 20 0 GFADRO CC(=O)N[C@H](CC(=O)N[C@@](C)(C[NH3+])C(C)C)c1ccc(Br)cc1 ZINC000236645081 553070298 /nfs/dbraw/zinc/07/02/98/553070298.db2.gz UFGGXARDPOXYOM-WBVHZDCISA-N 1 0 384.318 2.506 20 0 GFADRO O=C(C[C@H]1CSCC[NH2+]1)Nc1ccnn1Cc1ccc(Br)cc1 ZINC000236712406 553071147 /nfs/dbraw/zinc/07/11/47/553071147.db2.gz QKXOLHMEEIRFDB-AWEZNQCLSA-N 1 0 395.326 2.728 20 0 GFADRO CC(C)([NH3+])CC(=O)N1CCC(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000236826614 553071642 /nfs/dbraw/zinc/07/16/42/553071642.db2.gz XEVRWOWTSLMECY-UHFFFAOYSA-N 1 0 382.302 2.754 20 0 GFADRO CC[NH+](CC)[C@@H](CNC(=O)[C@@H]1CSCN1)c1ccc(C(F)(F)F)cc1 ZINC000236830663 553072081 /nfs/dbraw/zinc/07/20/81/553072081.db2.gz CAVLTGHCKXWIES-GJZGRUSLSA-N 1 0 375.460 2.867 20 0 GFADRO CCC[NH2+]CCNC(=O)c1nn(-c2cccc(Br)c2)c2c1CCC2 ZINC000236862771 553072458 /nfs/dbraw/zinc/07/24/58/553072458.db2.gz KNOOAVPIXFPVQG-UHFFFAOYSA-N 1 0 391.313 2.853 20 0 GFADRO CCCN(C1CC[NH2+]CC1)S(=O)(=O)c1cc(Br)ccc1OC ZINC000236870989 553072496 /nfs/dbraw/zinc/07/24/96/553072496.db2.gz MHRLCTRSYVUGQS-UHFFFAOYSA-N 1 0 391.331 2.610 20 0 GFADRO CCCC[C@@H](C[NH3+])NS(=O)(=O)c1cc(Cl)c(OC)cc1Br ZINC000236900028 553073031 /nfs/dbraw/zinc/07/30/31/553073031.db2.gz UWXQOAGLEGUUBJ-VIFPVBQESA-N 1 0 399.738 2.907 20 0 GFADRO CCOc1c(Br)cc(C(=O)NC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1OC ZINC000237002364 553073686 /nfs/dbraw/zinc/07/36/86/553073686.db2.gz UWFGXQKECDFWLI-FUNVUKJBSA-N 1 0 383.286 2.869 20 0 GFADRO CC[C@H](C)[C@@H]([NH3+])C(=O)N1CCC(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000237042363 553073784 /nfs/dbraw/zinc/07/37/84/553073784.db2.gz ILTPJPUENVJFBI-BLLLJJGKSA-N 1 0 396.329 3.000 20 0 GFADRO C[NH2+]C[C@@H]1CCCN1C(=O)CCc1nc(-c2cc(Br)cs2)no1 ZINC000237082153 553074420 /nfs/dbraw/zinc/07/44/20/553074420.db2.gz NRQBTZBKRILALZ-NSHDSACASA-N 1 0 399.314 2.704 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)[C@H]1CC12CC[NH2+]CC2 ZINC000237094340 553074471 /nfs/dbraw/zinc/07/44/71/553074471.db2.gz CWILQTCFZBONIK-CQSZACIVSA-N 1 0 394.313 2.544 20 0 GFADRO COc1ccc(Br)cc1C(=O)CCC(=O)N1CC[C@@H]([NH3+])C[C@@H]1C ZINC000237109946 553074785 /nfs/dbraw/zinc/07/47/85/553074785.db2.gz JRTNACKVSPMGKC-WCQYABFASA-N 1 0 383.286 2.759 20 0 GFADRO C[NH2+]C[C@@H]1CCCN(C(=O)c2cc(F)c(F)cc2I)C1 ZINC000237197363 553075997 /nfs/dbraw/zinc/07/59/97/553075997.db2.gz BWQIWBFLHMVTAF-VIFPVBQESA-N 1 0 394.203 2.641 20 0 GFADRO CS(=O)(=O)CC[C@H]([NH3+])C(=O)Nc1cccc(CSC2CCCCC2)c1 ZINC000237340407 553077298 /nfs/dbraw/zinc/07/72/98/553077298.db2.gz DFMOJPGGNOUGKF-KRWDZBQOSA-N 1 0 384.567 2.953 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)c2cnn(-c3ccc(Br)cc3)c2)C1 ZINC000237457287 553078353 /nfs/dbraw/zinc/07/83/53/553078353.db2.gz NDDCXWMGOXXAQG-STQMWFEESA-N 1 0 377.286 2.834 20 0 GFADRO C[C@@]1(C(=O)NCC2(c3cccc(Br)c3)CCOCC2)CC[NH2+]C1 ZINC000237575703 553079427 /nfs/dbraw/zinc/07/94/27/553079427.db2.gz BHQKDVSDHUMFCF-QGZVFWFLSA-N 1 0 381.314 2.613 20 0 GFADRO O=C(NCC[C@@H]1CCC[NH2+]C1)c1nn(-c2ccc(F)cc2)cc1Br ZINC000237701754 553080726 /nfs/dbraw/zinc/08/07/26/553080726.db2.gz NTCXROUCYNWFHT-LBPRGKRZSA-N 1 0 395.276 2.893 20 0 GFADRO Cc1cccc(S(=O)(=O)N2CCC([NH2+]CC3CC3)CC2)c1Br ZINC000237781944 553081583 /nfs/dbraw/zinc/08/15/83/553081583.db2.gz FDLCFXBZZSSXPG-UHFFFAOYSA-N 1 0 387.343 2.910 20 0 GFADRO O=C(C[C@H]1CSCC[NH2+]1)NCc1cc(Br)ccc1OC(F)F ZINC000237796357 553082407 /nfs/dbraw/zinc/08/24/07/553082407.db2.gz WTIGDQWHJHDBQE-NSHDSACASA-N 1 0 395.269 2.762 20 0 GFADRO Cc1c(C(=O)Nc2cc(Br)ccc2F)nnn1C1CC[NH2+]CC1 ZINC000237853253 553083063 /nfs/dbraw/zinc/08/30/63/553083063.db2.gz SIHZDIWFHSVQBE-UHFFFAOYSA-N 1 0 382.237 2.665 20 0 GFADRO [NH3+]C[C@H](NC(=O)CCNC(=O)c1ccc(Br)cc1)C1CCCCC1 ZINC000237858956 553083274 /nfs/dbraw/zinc/08/32/74/553083274.db2.gz CUNFQGQFQMOXQS-INIZCTEOSA-N 1 0 396.329 2.593 20 0 GFADRO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)c1ccc(I)c(F)c1 ZINC000237986566 553084481 /nfs/dbraw/zinc/08/44/81/553084481.db2.gz NDHWIVJFOCVFER-MFKMUULPSA-N 1 0 376.213 2.678 20 0 GFADRO [NH3+]Cc1ccc(C(=O)NCC2(c3ccc(Br)cc3)CCOCC2)o1 ZINC000237963237 553084884 /nfs/dbraw/zinc/08/48/84/553084884.db2.gz CBOZLDLRBPOWGA-UHFFFAOYSA-N 1 0 393.281 2.979 20 0 GFADRO COC(=O)[C@H](C)C[N@H+](CC(=O)N[C@H](C)c1ccc(Br)cc1)C1CC1 ZINC000245385630 553089590 /nfs/dbraw/zinc/08/95/90/553089590.db2.gz FNGALAAXRULUIH-CHWSQXEVSA-N 1 0 397.313 2.900 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)c2cc(S(C)(=O)=O)cs2)C1 ZINC000245572913 553093403 /nfs/dbraw/zinc/09/34/03/553093403.db2.gz HBSCNYZQQCDVQY-HUUCEWRRSA-N 1 0 384.567 2.878 20 0 GFADRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)S(=O)(=O)c1cc(F)c(Br)cc1F ZINC000245645808 553094279 /nfs/dbraw/zinc/09/42/79/553094279.db2.gz ITMMXPRUYNIROY-NOZJJQNGSA-N 1 0 397.285 2.688 20 0 GFADRO C[N@@H+]1CCCC[C@H]1CN1CCN(C[C@@H](O)c2cccc(Br)c2)CC1 ZINC000245809639 553097820 /nfs/dbraw/zinc/09/78/20/553097820.db2.gz OCYZNGVDMJYMOH-RBUKOAKNSA-N 1 0 396.373 2.584 20 0 GFADRO COc1ccc([C@H](C)[NH2+]C[C@@H]2CC[C@@H](C(=O)N(C)C)O2)c(Br)c1 ZINC000245882869 553098403 /nfs/dbraw/zinc/09/84/03/553098403.db2.gz LBLCGDMYLGSQIY-RBOXIYTFSA-N 1 0 385.302 2.744 20 0 GFADRO C[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)c(Cl)c2)[C@H]1C[NH3+] ZINC000245898562 553098854 /nfs/dbraw/zinc/09/88/54/553098854.db2.gz DGZJXVGDRJOLHZ-RNCFNFMXSA-N 1 0 381.723 2.850 20 0 GFADRO CN(C)C(=O)[C@@H]1CC[C@@H](C[NH2+][C@H]2CCCOc3c(Br)cccc32)O1 ZINC000245986271 553100314 /nfs/dbraw/zinc/10/03/14/553100314.db2.gz CFDWUUYQNGGRKJ-RCBQFDQVSA-N 1 0 397.313 2.888 20 0 GFADRO COC(=O)C[C@H]1CSCCN1[C@H]1CCCN(c2ccccc2Cl)C1=O ZINC000246001028 553100866 /nfs/dbraw/zinc/10/08/66/553100866.db2.gz JUHSWCDASGVFDP-BBRMVZONSA-N 1 0 382.913 2.816 20 0 GFADRO Cc1cc(S(=O)(=O)N(C)[C@H]2CC[N@@H+](C)C[C@H]2C)ccc1Br ZINC000246133031 553102775 /nfs/dbraw/zinc/10/27/75/553102775.db2.gz JUBIKBQKQWBCLW-DOMZBBRYSA-N 1 0 375.332 2.718 20 0 GFADRO CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C)[C@H]2C[NH3+])cc1Br ZINC000246283425 553105842 /nfs/dbraw/zinc/10/58/42/553105842.db2.gz BBZQNFQDSZMHHC-BXUZGUMPSA-N 1 0 391.331 2.596 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)C[C@@H]2Sc3ccc(Cl)cc3NC2=O)C[N@@H+]1C1CC1 ZINC000246410001 553106860 /nfs/dbraw/zinc/10/68/60/553106860.db2.gz LSYCUOWVERUYMC-SIVJFFJCSA-N 1 0 379.913 2.884 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2cc(F)ccc2Br)[C@@H](C)C1 ZINC000246366578 553107000 /nfs/dbraw/zinc/10/70/00/553107000.db2.gz YVSXASFFOXIUKO-SMDDNHRTSA-N 1 0 393.322 2.939 20 0 GFADRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)COc2ccc(Br)cc2F)C1 ZINC000246472811 553108409 /nfs/dbraw/zinc/10/84/09/553108409.db2.gz CUJRLPJRGDUKOB-WFASDCNBSA-N 1 0 385.277 2.910 20 0 GFADRO COC(=O)[C@@]1(C)CC[N@@H+]([C@H](C)C(=O)N(C)Cc2ccc(Br)cc2)C1 ZINC000246651936 553111167 /nfs/dbraw/zinc/11/11/67/553111167.db2.gz XKUOKAATMJQNGF-ACJLOTCBSA-N 1 0 397.313 2.681 20 0 GFADRO C[C@@H](C(=O)Nc1cccc(Br)c1)[N@@H+]1CCC[C@@H](Cn2ccnn2)C1 ZINC000246728478 553111910 /nfs/dbraw/zinc/11/19/10/553111910.db2.gz ONFRAUMPCNZPRA-UONOGXRCSA-N 1 0 392.301 2.780 20 0 GFADRO C[C@H](NC(=O)CN1CCS[C@H]2COCC[C@H]21)c1ccc(Br)cc1 ZINC000246747104 553112469 /nfs/dbraw/zinc/11/24/69/553112469.db2.gz HAJPHOYFRUXNAH-MAZHCROVSA-N 1 0 399.354 2.833 20 0 GFADRO CCC[N@H+](C[C@H](O)Cc1ccccc1C(F)(F)F)[C@H]1CCS(=O)(=O)C1 ZINC000246756233 553112680 /nfs/dbraw/zinc/11/26/80/553112680.db2.gz QLENZZDWXNMWON-LSDHHAIUSA-N 1 0 379.444 2.508 20 0 GFADRO COc1nc(N[C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)ncc1Br ZINC000246758678 553112904 /nfs/dbraw/zinc/11/29/04/553112904.db2.gz ZXVZDXYUPMRTKH-SWLSCSKDSA-N 1 0 392.301 2.965 20 0 GFADRO CC[C@H]1CN(C(=O)Nc2ccc(F)cc2Br)CC[N@@H+]1C[C@H](C)O ZINC000246940474 553115606 /nfs/dbraw/zinc/11/56/06/553115606.db2.gz HMGOWEXKAWITDG-AAEUAGOBSA-N 1 0 388.281 2.897 20 0 GFADRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3cc(Br)c4c(c3)OCCO4)CC[C@H]21 ZINC000248006729 553127145 /nfs/dbraw/zinc/12/71/45/553127145.db2.gz KVZPAJHOWIBYTL-SWLSCSKDSA-N 1 0 395.297 2.777 20 0 GFADRO C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@H]2CCSc3ccc(Cl)cc32)C[C@@H]1C ZINC000248654349 553132482 /nfs/dbraw/zinc/13/24/82/553132482.db2.gz VVNNNOXIDFQJJI-XEZPLFJOSA-N 1 0 383.945 2.973 20 0 GFADRO C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@H]2CCSc3ccc(Cl)cc32)C[C@H]1C ZINC000248654346 553132601 /nfs/dbraw/zinc/13/26/01/553132601.db2.gz VVNNNOXIDFQJJI-WWGRRREGSA-N 1 0 383.945 2.973 20 0 GFADRO CC[N@@H+]1CCC2CCC(C1)N2C(=O)C1Cc2cc(Br)ccc2O1 ZINC000248715844 553133778 /nfs/dbraw/zinc/13/37/78/553133778.db2.gz DXDQTFAQBNAIQC-HLLBOEOZSA-N 1 0 379.298 2.838 20 0 GFADRO COc1ccc(COC[C@H](O)CN2CCSC[C@H]2c2nccs2)cc1 ZINC000248715736 553134026 /nfs/dbraw/zinc/13/40/26/553134026.db2.gz NQRIMCIVFDJGSG-WBVHZDCISA-N 1 0 380.535 2.819 20 0 GFADRO Brc1ccc(CN2CC[N@@H+]3CCC[C@H]3C2)c(N2CCOCC2)c1 ZINC000249096054 553138956 /nfs/dbraw/zinc/13/89/56/553138956.db2.gz OQYCHTMPUXGELQ-KRWDZBQOSA-N 1 0 380.330 2.566 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2cccc(Br)c2)[C@@H](C)C1 ZINC000249192412 553140903 /nfs/dbraw/zinc/14/09/03/553140903.db2.gz PMCZTYOHGSYHST-WFASDCNBSA-N 1 0 382.302 2.576 20 0 GFADRO C[C@H](O)C[N@@H+]1CCN(CC(=O)N[C@@H](C)c2ccc(Cl)c(Cl)c2)[C@@H](C)C1 ZINC000249208607 553140934 /nfs/dbraw/zinc/14/09/34/553140934.db2.gz CGFIMSLFJZNLGD-IHRRRGAJSA-N 1 0 388.339 2.558 20 0 GFADRO Cc1cc(NC(=O)[C@H](C)[NH2+][C@@H]2CCCC[C@H]2C(N)=O)ccc1Br ZINC000249270323 553141556 /nfs/dbraw/zinc/14/15/56/553141556.db2.gz KANQIXJLLARBQS-NJZAAPMLSA-N 1 0 382.302 2.718 20 0 GFADRO C[C@H](Oc1cccc(Br)c1)C(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000249301665 553141765 /nfs/dbraw/zinc/14/17/65/553141765.db2.gz CCVDVAYQOVQSFC-KGLIPLIRSA-N 1 0 399.329 2.520 20 0 GFADRO O[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@@H+]2Cc1nc(-c2cccc(Br)c2)no1 ZINC000249632061 553145080 /nfs/dbraw/zinc/14/50/80/553145080.db2.gz VNKXATAJEFPOGD-BOOVAVIHSA-N 1 0 376.254 2.700 20 0 GFADRO COc1cc([C@H](C)[NH2+][C@@H]2C[C@@H]3OCCC[C@@H]23)ccc1S(=O)(=O)C(F)F ZINC000251593221 553148717 /nfs/dbraw/zinc/14/87/17/553148717.db2.gz FOYGFCIWOPGIME-DEQVHRJGSA-N 1 0 375.437 2.910 20 0 GFADRO O=C(c1ccc(Br)cc1Br)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261578682 553153687 /nfs/dbraw/zinc/15/36/87/553153687.db2.gz DHMWHGCHJHBGOY-ZJUUUORDSA-N 1 0 388.103 2.893 20 0 GFADRO Cc1nn(C)c(C)c1C[C@H](C)NC(=O)[C@@](C)([NH3+])c1ccc(Br)cc1 ZINC000261624336 553154563 /nfs/dbraw/zinc/15/45/63/553154563.db2.gz BECNCUUSEMXOGC-VOJFVSQTSA-N 1 0 393.329 2.721 20 0 GFADRO C[NH2+][C@H](C)Cc1noc(CCc2nc(-c3cc(Br)cs3)no2)n1 ZINC000261708381 553156711 /nfs/dbraw/zinc/15/67/11/553156711.db2.gz IQXGOLMUEDGMIJ-MRVPVSSYSA-N 1 0 398.286 2.879 20 0 GFADRO COCC1(CNC(=O)CCOc2ccc(Cl)cc2Cl)CC[NH2+]CC1 ZINC000261760532 553158657 /nfs/dbraw/zinc/15/86/57/553158657.db2.gz QFWBACAPUMTMEX-UHFFFAOYSA-N 1 0 375.296 2.895 20 0 GFADRO CCO[C@H]1C[C@@]([NH3+])(C(=O)N(C)CCOc2ccc(Br)cc2)C1(C)C ZINC000261772550 553158792 /nfs/dbraw/zinc/15/87/92/553158792.db2.gz XCQFNZYWLIBWNZ-MAUKXSAKSA-N 1 0 399.329 2.819 20 0 GFADRO Brc1cc2c(cc1CN1CC[NH2+]C[C@H]1c1cccnc1)OCCO2 ZINC000261850924 553160918 /nfs/dbraw/zinc/16/09/18/553160918.db2.gz VIUPKUGMWVEHJL-INIZCTEOSA-N 1 0 390.281 2.762 20 0 GFADRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl ZINC000261846406 553160996 /nfs/dbraw/zinc/16/09/96/553160996.db2.gz PRXGPQOTXHRCJJ-WQGACYEGSA-N 1 0 384.307 2.794 20 0 GFADRO COCC1(C(=O)N[C@H](C)c2ccc(OC)c(Br)c2)CC[NH2+]CC1 ZINC000261853017 553161355 /nfs/dbraw/zinc/16/13/55/553161355.db2.gz JPMZJZZUXSCQJQ-GFCCVEGCSA-N 1 0 385.302 2.651 20 0 GFADRO C[C@@]([NH3+])(C(=O)N1CCC(Cn2cccn2)CC1)c1ccc(Br)cc1 ZINC000261877415 553161727 /nfs/dbraw/zinc/16/17/27/553161727.db2.gz YRAVQWCXGPRKFT-SFHVURJKSA-N 1 0 391.313 2.758 20 0 GFADRO C[C@]([NH3+])(C(=O)NC[C@@H]1COc2ccccc2O1)c1ccc(Br)cc1 ZINC000261978521 553163878 /nfs/dbraw/zinc/16/38/78/553163878.db2.gz OGJPZESQDMPCEH-RDTXWAMCSA-N 1 0 391.265 2.579 20 0 GFADRO O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1cc2c(s1)CCCCC2 ZINC000261981055 553163948 /nfs/dbraw/zinc/16/39/48/553163948.db2.gz MDASQBHXPZUKFV-HNNXBMFYSA-N 1 0 375.460 2.583 20 0 GFADRO CC(C)(C)NS(=O)(=O)c1cc(-c2nc(C3([NH3+])CCC3)no2)ccc1Cl ZINC000262009330 553164077 /nfs/dbraw/zinc/16/40/77/553164077.db2.gz UXRDAWHBZROZIC-UHFFFAOYSA-N 1 0 384.889 2.805 20 0 GFADRO C[C@H](C(=O)NCCSCCOc1cccc(Br)c1)C1C[NH2+]C1 ZINC000262037398 553164705 /nfs/dbraw/zinc/16/47/05/553164705.db2.gz FVIMQHHCERANEL-LBPRGKRZSA-N 1 0 387.343 2.533 20 0 GFADRO CC(C)(C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccccc1Cl ZINC000262029878 553164896 /nfs/dbraw/zinc/16/48/96/553164896.db2.gz PGENTJNPHKTRMG-CQSZACIVSA-N 1 0 377.838 2.570 20 0 GFADRO O=C(NC[C@H]1CCCN(Cc2csc(Br)c2)C1)[C@H]1CCC[NH2+]1 ZINC000262085620 553165997 /nfs/dbraw/zinc/16/59/97/553165997.db2.gz HNXCSYZXVZLEIG-TZMCWYRMSA-N 1 0 386.359 2.591 20 0 GFADRO O=C(c1csc(-c2cccc(Cl)c2)n1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000262320967 553169262 /nfs/dbraw/zinc/16/92/62/553169262.db2.gz QJSDMYVHNWNTMU-HNNXBMFYSA-N 1 0 376.913 2.583 20 0 GFADRO CN(Cc1c(F)cccc1Cl)S(=O)(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000262316816 553169270 /nfs/dbraw/zinc/16/92/70/553169270.db2.gz PUNCECHZKTVKRT-KRWDZBQOSA-N 1 0 389.924 2.620 20 0 GFADRO COCC1(C(=O)NCC(C)(C)c2cccc(Br)c2)CC[NH2+]CC1 ZINC000262388855 553169963 /nfs/dbraw/zinc/16/99/63/553169963.db2.gz PEKHFMOYWGMFRM-UHFFFAOYSA-N 1 0 383.330 2.859 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C1 ZINC000262576682 553172619 /nfs/dbraw/zinc/17/26/19/553172619.db2.gz JXZXVKURSFXLLO-SGMGOOAPSA-N 1 0 384.307 2.932 20 0 GFADRO O=C(NCC[C@@H]1CC[NH2+]C1)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1 ZINC000262598797 553173006 /nfs/dbraw/zinc/17/30/06/553173006.db2.gz WKQWABCIXTWNGZ-AWEZNQCLSA-N 1 0 384.929 2.542 20 0 GFADRO COCC[C@H](Cc1cccc(Br)c1)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262594397 553173019 /nfs/dbraw/zinc/17/30/19/553173019.db2.gz IKVDZHRUTNERLI-NXHRZFHOSA-N 1 0 395.341 2.997 20 0 GFADRO O=C([C@@H]1CCN(c2cc(Cl)ccc2Cl)C1=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262622959 553173365 /nfs/dbraw/zinc/17/33/65/553173365.db2.gz JLPWGIJOJKGXHV-RDBSUJKOSA-N 1 0 382.291 2.699 20 0 GFADRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)c1ccc(Cl)c(I)c1 ZINC000262709074 553174201 /nfs/dbraw/zinc/17/42/01/553174201.db2.gz CCZLNJBJRHYPLT-PELKAZGASA-N 1 0 378.641 2.672 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2Br)C1 ZINC000262743241 553174558 /nfs/dbraw/zinc/17/45/58/553174558.db2.gz CVSWZSFFPNCLRB-VHSXEESVSA-N 1 0 381.723 2.850 20 0 GFADRO CO[C@@H](C[NH3+])CC(=O)Nc1ccc(Cl)c(C(=O)NCc2cccs2)c1 ZINC000262761091 553175217 /nfs/dbraw/zinc/17/52/17/553175217.db2.gz FUUFSRKSMMAABJ-GFCCVEGCSA-N 1 0 381.885 2.634 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000262756754 553175263 /nfs/dbraw/zinc/17/52/63/553175263.db2.gz PBWXGUODGVKMEH-KCQAQPDRSA-N 1 0 394.313 2.530 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)c1cnn(-c2ccc(Br)cc2)c1 ZINC000262775188 553175746 /nfs/dbraw/zinc/17/57/46/553175746.db2.gz WBQMBEWZELLNRF-MLGOLLRUSA-N 1 0 377.286 2.977 20 0 GFADRO C[C@H]1[NH2+]CCN(S(=O)(=O)c2c(Cl)cc(F)cc2Br)[C@H]1C ZINC000262816689 553176617 /nfs/dbraw/zinc/17/66/17/553176617.db2.gz ZIWKMCRLHDLHNZ-SFYZADRCSA-N 1 0 385.686 2.613 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)CC[NH2+]1 ZINC000262951098 553179667 /nfs/dbraw/zinc/17/96/67/553179667.db2.gz VLIBDBWESCEAAS-RLCCDNCMSA-N 1 0 384.307 2.855 20 0 GFADRO C[C@@H]([NH3+])[C@@H](C)NC(=O)NCCOc1ccc(Br)cc1C(F)(F)F ZINC000417957948 563893164 /nfs/dbraw/zinc/89/31/64/563893164.db2.gz UZRXSLIUGPQSBU-RKDXNWHRSA-N 1 0 398.223 2.882 20 0 GFADRO C[C@@H]1CN(C(=O)Cc2ccc(I)cc2)CC[N@@H+](C2CC2)C1 ZINC000452173493 564397976 /nfs/dbraw/zinc/39/79/76/564397976.db2.gz MVBVDAFBYGKFHR-ZDUSSCGKSA-N 1 0 398.288 2.776 20 0 GFADRO CCC[N@H+](C)CC(=O)NCc1c(Br)cncc1Br ZINC000452411263 564414425 /nfs/dbraw/zinc/41/44/25/564414425.db2.gz SNCDXBBPTSGMJH-UHFFFAOYSA-N 1 0 379.096 2.565 20 0 GFADRO Cc1sc(C(=O)NCC2CC[NH+](CCN(C)C)CC2)cc1Br ZINC000424655744 563385422 /nfs/dbraw/zinc/38/54/22/563385422.db2.gz KSYBWLDXSAJMAD-UHFFFAOYSA-N 1 0 388.375 2.822 20 0 GFADRO C[C@@H](CCCNC(=O)OC(C)(C)C)[NH2+]Cc1c(Br)cnn1C ZINC000294697487 563213090 /nfs/dbraw/zinc/21/30/90/563213090.db2.gz CCYUMHQFEUBWTC-NSHDSACASA-N 1 0 375.311 2.966 20 0 GFADRO C[C@H]1CN(C(=O)NCCc2c[nH]c3cccc(Br)c23)CC[C@@H]1[NH3+] ZINC000418196903 563213097 /nfs/dbraw/zinc/21/30/97/563213097.db2.gz IMTQRKSEEOKCRI-FZMZJTMJSA-N 1 0 379.302 2.852 20 0 GFADRO O=C(N[C@H]1CCc2c1ccc(F)c2Br)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000418246273 563214804 /nfs/dbraw/zinc/21/48/04/563214804.db2.gz FSPIQBJRNHTTIW-YOEHRIQHSA-N 1 0 382.277 2.971 20 0 GFADRO CO[C@@H]1CCN(C(=O)NC/C=C/c2ccc(Br)cc2)[C@@H](C[NH3+])C1 ZINC000418265824 563215008 /nfs/dbraw/zinc/21/50/08/563215008.db2.gz LDWFOPRZJIINFY-REUDQUMMSA-N 1 0 382.302 2.610 20 0 GFADRO C[C@H]1c2c(Cl)cc(Cl)cc2CCN1C(=O)NCCCN1CC[NH2+]CC1 ZINC000418303417 563215399 /nfs/dbraw/zinc/21/53/99/563215399.db2.gz VQCCBIAXSVJRRK-ZDUSSCGKSA-N 1 0 385.339 2.917 20 0 GFADRO O=C(NC[C@H]1CCCC[N@@H+]1C1CC1)C(=O)Nc1cccc(Br)c1 ZINC000277584614 563215582 /nfs/dbraw/zinc/21/55/82/563215582.db2.gz UWUPRCMHDGSHSP-OAHLLOKOSA-N 1 0 380.286 2.521 20 0 GFADRO O=C(NCCC[NH2+]C1CC1)N1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000418300111 563215691 /nfs/dbraw/zinc/21/56/91/563215691.db2.gz MKQAMHCVVSMUPS-MRXNPFEDSA-N 1 0 382.302 2.674 20 0 GFADRO C[NH2+]CCCNC(=O)N1CCC(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000418310292 563215883 /nfs/dbraw/zinc/21/58/83/563215883.db2.gz OWSMPLATWYIKSO-UHFFFAOYSA-N 1 0 387.311 2.963 20 0 GFADRO C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)N[C@H]2CCC[NH2+]C2)CC1 ZINC000418383797 563216613 /nfs/dbraw/zinc/21/66/13/563216613.db2.gz NZNSWNMSSRKEKS-PBHICJAKSA-N 1 0 395.345 2.589 20 0 GFADRO CN(CC(=O)NC[C@@H]1CC[N@H+](C)[C@@H]1c1cccs1)C(=O)c1cccs1 ZINC000369567665 563216880 /nfs/dbraw/zinc/21/68/80/563216880.db2.gz IKBSVESZLRGYBG-GUYCJALGSA-N 1 0 377.535 2.691 20 0 GFADRO [NH3+][C@@H](CNC(=O)N(CCO)Cc1cccc(Br)c1)c1ccccc1 ZINC000418428779 563217242 /nfs/dbraw/zinc/21/72/42/563217242.db2.gz MXMAUTAHDSEYTO-KRWDZBQOSA-N 1 0 392.297 2.653 20 0 GFADRO CC(C)([NH3+])CNC(=O)N1CCC(C(=O)Nc2cccc(Br)c2)CC1 ZINC000418414846 563217422 /nfs/dbraw/zinc/21/74/22/563217422.db2.gz MKCGWOKESYDETK-UHFFFAOYSA-N 1 0 397.317 2.547 20 0 GFADRO COCC[NH2+]CCNC(=O)N1CCC[C@H]1c1ccc(Br)s1 ZINC000418509933 563218622 /nfs/dbraw/zinc/21/86/22/563218622.db2.gz PCSYPAGXMWMZKW-NSHDSACASA-N 1 0 376.320 2.593 20 0 GFADRO [NH3+][C@@H]1CCC[C@H](NC(=O)N2CCN(Cc3ccc(Br)cc3)CC2)C1 ZINC000418574005 563220217 /nfs/dbraw/zinc/22/02/17/563220217.db2.gz VAOWRWHPKPGZEC-SJORKVTESA-N 1 0 395.345 2.546 20 0 GFADRO C[C@@H]1C[N@H+](CCCNC(=O)[C@@H](O)c2cc(Cl)cc(Cl)c2)CCCO1 ZINC000277682259 563220575 /nfs/dbraw/zinc/22/05/75/563220575.db2.gz VCVLVLOBWKNBBS-WBMJQRKESA-N 1 0 375.296 2.644 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)N2CCO[C@@H](c3ccc(Br)cc3)C2)CC[NH2+]1 ZINC000418594419 563220606 /nfs/dbraw/zinc/22/06/06/563220606.db2.gz FNDSSDRGJSKPCN-DAXOMENPSA-N 1 0 382.302 2.673 20 0 GFADRO CN(C)c1noc(CN[C@@H]2CC(=O)N(C)[C@H]2c2ccc(Cl)c(Cl)c2)n1 ZINC000369705773 563221673 /nfs/dbraw/zinc/22/16/73/563221673.db2.gz FCQLSPFPOROSDK-DOMZBBRYSA-N 1 0 384.267 2.504 20 0 GFADRO C[NH+]1CCC2(CCCN(S(=O)(=O)c3ccccc3Br)C2)CC1 ZINC000369719741 563222514 /nfs/dbraw/zinc/22/25/14/563222514.db2.gz ATWNZDICORDPPD-UHFFFAOYSA-N 1 0 387.343 2.946 20 0 GFADRO C[C@H](CCC[NH3+])NC(=O)N1CCO[C@H](c2ccc(F)c(Br)c2)C1 ZINC000418695441 563222839 /nfs/dbraw/zinc/22/28/39/563222839.db2.gz XXTYGDQOBBJTFB-ABAIWWIYSA-N 1 0 388.281 2.799 20 0 GFADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1CN(C)Cc1ccncc1 ZINC000294956644 563222902 /nfs/dbraw/zinc/22/29/02/563222902.db2.gz DOZQRUHBXJGRAB-CYBMUJFWSA-N 1 0 392.297 2.989 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H](CNC(=O)N(CCO)Cc2ccc(Br)s2)C1 ZINC000418728051 563223427 /nfs/dbraw/zinc/22/34/27/563223427.db2.gz QVGKPJPZKNSVST-VXGBXAGGSA-N 1 0 390.347 2.532 20 0 GFADRO C[C@@H](NC(=O)N[C@H](CO)c1ccc(Br)cc1C(F)(F)F)[C@H](C)[NH3+] ZINC000418732571 563223749 /nfs/dbraw/zinc/22/37/49/563223749.db2.gz UWKCFWPWIDMFRU-JOAULVNJSA-N 1 0 398.223 2.536 20 0 GFADRO C[C@@H](NC(=O)c1c(Br)cnn1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000294964521 563223950 /nfs/dbraw/zinc/22/39/50/563223950.db2.gz LGQYYUIGDRDSOS-HIFRSBDPSA-N 1 0 391.313 2.823 20 0 GFADRO Cc1cc([C@H]2CCCN2C(=O)NC[C@H]2C[NH2+]CCN2C)ccc1Br ZINC000418765905 563224930 /nfs/dbraw/zinc/22/49/30/563224930.db2.gz PIEVJVYUVJPULA-NVXWUHKLSA-N 1 0 395.345 2.508 20 0 GFADRO C[C@H](NC(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1)c1ccc(Cl)cc1Cl ZINC000418828855 563226365 /nfs/dbraw/zinc/22/63/65/563226365.db2.gz IHOFVBKIEQXXSW-FNNPODNZSA-N 1 0 384.307 2.756 20 0 GFADRO [NH3+]C[C@@H](NC(=O)C(=O)N[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl)C1CCCC1 ZINC000418814303 563226631 /nfs/dbraw/zinc/22/66/31/563226631.db2.gz FWVNTBDFTDPLRW-NUEKZKHPSA-N 1 0 384.307 2.599 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000418819973 563226727 /nfs/dbraw/zinc/22/67/27/563226727.db2.gz RGAYAMVINGYKJD-PDUOOLKUSA-N 1 0 384.307 2.694 20 0 GFADRO COc1cc(Br)c(C(=O)N(C)[C@@H]2CC[N@H+](C)C[C@H]2C)cc1OC ZINC000295039426 563226911 /nfs/dbraw/zinc/22/69/11/563226911.db2.gz RZOVLPJSHKPTRL-BXUZGUMPSA-N 1 0 385.302 2.879 20 0 GFADRO C[C@H](NC(=O)C(=O)N1CCC(C[NH3+])CC1)c1cc(F)c(Cl)cc1Cl ZINC000418847737 563227058 /nfs/dbraw/zinc/22/70/58/563227058.db2.gz JSKCICNIEXVXPI-VIFPVBQESA-N 1 0 376.259 2.507 20 0 GFADRO C[C@H](NC(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1ccc(Cl)cc1Cl ZINC000418842440 563227205 /nfs/dbraw/zinc/22/72/05/563227205.db2.gz ZZVASPJKQZTGDS-ZJQBRPOHSA-N 1 0 384.307 2.675 20 0 GFADRO C[C@@H]([NH3+])C1CCN(C(=O)C(=O)N[C@@H](C)c2cc(F)c(Cl)cc2Cl)CC1 ZINC000418838265 563227325 /nfs/dbraw/zinc/22/73/25/563227325.db2.gz CBAAZJZMUGBQDO-ZJUUUORDSA-N 1 0 390.286 2.896 20 0 GFADRO CS(=O)(=O)[C@H]1CCCC[N@H+](C[C@H](O)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000277816581 563227636 /nfs/dbraw/zinc/22/76/36/563227636.db2.gz QNCPDNYBUQDFDQ-CVEARBPZSA-N 1 0 379.444 2.508 20 0 GFADRO COCCC[N@@H+]1CCCN(CC(=O)Nc2ccc(C)cc2Br)CC1 ZINC000369906147 563227835 /nfs/dbraw/zinc/22/78/35/563227835.db2.gz LYZOGOWCLZTVQP-UHFFFAOYSA-N 1 0 398.345 2.740 20 0 GFADRO CCCC[C@@H](C[NH3+])NC(=O)C(=O)N[C@H](C)c1cc(F)c(Cl)cc1Cl ZINC000418854498 563227978 /nfs/dbraw/zinc/22/79/78/563227978.db2.gz TYDIBPVUXKKLLL-ZJUUUORDSA-N 1 0 378.275 2.943 20 0 GFADRO C[C@@H](NC(=O)C(=O)NCC[C@H]1CCC[NH2+]C1)c1cc(F)c(Cl)cc1Cl ZINC000418864492 563228689 /nfs/dbraw/zinc/22/86/89/563228689.db2.gz QUQUGHNDVZZGAT-GHMZBOCLSA-N 1 0 390.286 2.816 20 0 GFADRO COc1cc(CNC(=O)[C@H]2C[C@H]3CCCC[N@@H+]3C2)cc(Br)c1OC ZINC000370013781 563231227 /nfs/dbraw/zinc/23/12/27/563231227.db2.gz XDZJXYPKWQPGIB-UONOGXRCSA-N 1 0 397.313 2.957 20 0 GFADRO OCC[N@@H+]1CCCC[C@@H]1CNc1nc(C(F)(F)F)c(Br)s1 ZINC000418956873 563231654 /nfs/dbraw/zinc/23/16/54/563231654.db2.gz SQIZHNMPYFOVBI-MRVPVSSYSA-N 1 0 388.253 3.183 20 0 GFADRO CC[C@@H](NC(=O)C(=O)N1CCC2(CC[NH2+]CC2)CC1)c1ccc(Cl)s1 ZINC000419043188 563232442 /nfs/dbraw/zinc/23/24/42/563232442.db2.gz QMTIWAWSDMKZQF-CYBMUJFWSA-N 1 0 383.945 2.961 20 0 GFADRO C[C@@H](C[NH3+])N(C)C(=O)C(=O)NCC1(c2ccc(Cl)cc2Cl)CCCC1 ZINC000419159352 563234514 /nfs/dbraw/zinc/23/45/14/563234514.db2.gz XHDDEOCOFOSXQN-LBPRGKRZSA-N 1 0 386.323 2.727 20 0 GFADRO O=C(c1ccc(Cl)c(I)c1)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000370161637 563235517 /nfs/dbraw/zinc/23/55/17/563235517.db2.gz MYHMZRMEJYPWJT-RNCFNFMXSA-N 1 0 390.652 2.769 20 0 GFADRO CO[C@@H](C[NH2+][C@H](C(N)=O)c1cccc(Br)c1)Cc1ccccc1 ZINC000419215479 563235611 /nfs/dbraw/zinc/23/56/11/563235611.db2.gz METCUOLIXKQFDY-SJORKVTESA-N 1 0 377.282 2.823 20 0 GFADRO C[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000419288849 563236158 /nfs/dbraw/zinc/23/61/58/563236158.db2.gz UAMLCYSVRMBRBB-MBNYWOFBSA-N 1 0 386.323 2.626 20 0 GFADRO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N[C@H](C)Cc1ccc(Cl)cc1Cl ZINC000419279062 563236386 /nfs/dbraw/zinc/23/63/86/563236386.db2.gz IMYAELITUXDYTN-MLGOLLRUSA-N 1 0 388.339 2.872 20 0 GFADRO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1Cc1nnc(-c2c(Cl)cccc2Cl)o1 ZINC000419328345 563236823 /nfs/dbraw/zinc/23/68/23/563236823.db2.gz OOQOFLOGCFLNMA-NWDGAFQWSA-N 1 0 385.295 2.930 20 0 GFADRO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1Cc1cc(Br)cc2cccnc21 ZINC000419324672 563236861 /nfs/dbraw/zinc/23/68/61/563236861.db2.gz KFHBWMYJYFPUMF-UONOGXRCSA-N 1 0 378.314 2.884 20 0 GFADRO COc1cccc2c1C[C@@H]([NH2+][C@H](C(N)=O)c1ccc(Br)cc1)C2 ZINC000419334212 563237370 /nfs/dbraw/zinc/23/73/70/563237370.db2.gz SPUBQMVLHASNBW-YOEHRIQHSA-N 1 0 375.266 2.741 20 0 GFADRO CC(C)(CNC(=O)C(=O)NC1CCC([NH3+])CC1)c1ccc(Cl)c(Cl)c1 ZINC000419366726 563239364 /nfs/dbraw/zinc/23/93/64/563239364.db2.gz VRMGSZGIPZSSCJ-UHFFFAOYSA-N 1 0 386.323 2.773 20 0 GFADRO O=C(NCc1ccccc1Br)N1CCC[C@H]1C[N@H+]1CCC[C@H]1CO ZINC000370302488 563239626 /nfs/dbraw/zinc/23/96/26/563239626.db2.gz WUINEAPJMYKFTF-HOTGVXAUSA-N 1 0 396.329 2.580 20 0 GFADRO CC(C)(CNC(=O)C(=O)NCC[C@H]1CC[NH2+]C1)c1ccc(Cl)c(Cl)c1 ZINC000419367361 563239635 /nfs/dbraw/zinc/23/96/35/563239635.db2.gz WXBAWWZKCPTXKR-GFCCVEGCSA-N 1 0 386.323 2.503 20 0 GFADRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)NCC(C)(C)c1ccc(Cl)c(Cl)c1 ZINC000419363682 563239657 /nfs/dbraw/zinc/23/96/57/563239657.db2.gz QWGIYBMLOABANO-IAQYHMDHSA-N 1 0 386.323 2.501 20 0 GFADRO C[C@@H]1CN(C(=O)NC/C=C/c2ccc(Br)cc2)[C@@H](C)C[N@@H+]1CCO ZINC000419519063 563240910 /nfs/dbraw/zinc/24/09/10/563240910.db2.gz FLWOHJUDPPKRMG-RYIMYRPNSA-N 1 0 396.329 2.559 20 0 GFADRO C[NH2+]CC1CCN(C(=O)C(=O)NC[C@@H](C)c2c(Cl)cccc2Cl)CC1 ZINC000419509856 563241325 /nfs/dbraw/zinc/24/13/25/563241325.db2.gz ATYIGAVNUMDGAE-GFCCVEGCSA-N 1 0 386.323 2.671 20 0 GFADRO O=C(CN1CC[NH+]([C@@H]2CCSC2)CC1)Nc1nc(-c2cccs2)cs1 ZINC000370405586 563242617 /nfs/dbraw/zinc/24/26/17/563242617.db2.gz KHKHHUCNTKOYCD-CYBMUJFWSA-N 1 0 394.591 2.933 20 0 GFADRO C[C@H](Cc1c(Cl)cccc1Cl)NC(=O)C(=O)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000419601256 563243190 /nfs/dbraw/zinc/24/31/90/563243190.db2.gz WOLCQHXIHURYJU-UPJWGTAASA-N 1 0 386.323 2.545 20 0 GFADRO CC1(C)C[C@@H]([NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)C(C)(C)O1 ZINC000419694035 563246052 /nfs/dbraw/zinc/24/60/52/563246052.db2.gz OWAIZALUZXLLHY-CYBMUJFWSA-N 1 0 391.331 2.532 20 0 GFADRO COc1nccnc1C[NH2+]CCc1cn2cc(Br)cc(C)c2n1 ZINC000295422598 563246746 /nfs/dbraw/zinc/24/67/46/563246746.db2.gz NYTQOAKHWAEBHT-UHFFFAOYSA-N 1 0 376.258 2.536 20 0 GFADRO C[NH2+]C1CCN(C(=O)C(=O)NCc2sc3ccc(Cl)cc3c2C)CC1 ZINC000419710374 563247288 /nfs/dbraw/zinc/24/72/88/563247288.db2.gz OBKLSEVFPDEXNY-UHFFFAOYSA-N 1 0 379.913 2.690 20 0 GFADRO CCC(=O)c1ccc(Cl)c(S(=O)(=O)N2CC[C@H](c3nccn3C)C2)c1 ZINC000370557196 563247755 /nfs/dbraw/zinc/24/77/55/563247755.db2.gz XVQGMCMJQXAAAH-ZDUSSCGKSA-N 1 0 381.885 2.844 20 0 GFADRO CC[NH+]1CCN(c2ccccc2NCc2c(Br)cnn2C)CC1 ZINC000278278219 563247874 /nfs/dbraw/zinc/24/78/74/563247874.db2.gz ADURLUFIMQFRBU-UHFFFAOYSA-N 1 0 378.318 2.937 20 0 GFADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)Cc1ccc(F)c(Br)c1 ZINC000278290308 563248551 /nfs/dbraw/zinc/24/85/51/563248551.db2.gz BHIXHZBZCXILMI-CYBMUJFWSA-N 1 0 399.304 2.842 20 0 GFADRO CC[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000419753243 563249758 /nfs/dbraw/zinc/24/97/58/563249758.db2.gz NNOCVZJPKHWZMY-DFBGVHRSSA-N 1 0 386.323 2.687 20 0 GFADRO CC[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)N(C)C1CC[NH2+]CC1 ZINC000419768234 563249995 /nfs/dbraw/zinc/24/99/95/563249995.db2.gz KJFYKEMOGVXSTI-CQSZACIVSA-N 1 0 386.323 2.641 20 0 GFADRO COCCNC(=O)N(Cc1ccccc1Br)C1CC[NH+](C)CC1 ZINC000370678933 563251696 /nfs/dbraw/zinc/25/16/96/563251696.db2.gz ZKNDZEMYZUUZOM-UHFFFAOYSA-N 1 0 384.318 2.701 20 0 GFADRO CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000419876913 563252704 /nfs/dbraw/zinc/25/27/04/563252704.db2.gz FMBGLXGUBSTFDL-JSGCOSHPSA-N 1 0 386.323 2.846 20 0 GFADRO O=C(NC[C@@H]1CCC[C@H]1[NH+]1CCOCC1)c1ccc(F)cc1Br ZINC000370760552 563254810 /nfs/dbraw/zinc/25/48/10/563254810.db2.gz RUMJHSVVQQPSMU-BLLLJJGKSA-N 1 0 385.277 2.819 20 0 GFADRO O=C(N[C@@H]1CCC[N@@H+](CCCO)C1)c1nc2ccccc2cc1Br ZINC000295592656 563254858 /nfs/dbraw/zinc/25/48/58/563254858.db2.gz WNWJAHCYPFDOJT-CQSZACIVSA-N 1 0 392.297 2.574 20 0 GFADRO C[C@H]1C[N@H+](CCCNC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)CCCO1 ZINC000278429851 563255219 /nfs/dbraw/zinc/25/52/19/563255219.db2.gz RNYYQGOWMVHMAV-LBPRGKRZSA-N 1 0 388.295 2.549 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2C(=O)c1c(F)cccc1Br ZINC000370828224 563257080 /nfs/dbraw/zinc/25/70/80/563257080.db2.gz YQTIJBQDTJZMSE-BYCMXARLSA-N 1 0 385.277 2.912 20 0 GFADRO CN(C(=O)c1ccc(Br)cc1F)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000370829146 563257456 /nfs/dbraw/zinc/25/74/56/563257456.db2.gz DUSIKYHTAUBNRJ-HNNXBMFYSA-N 1 0 398.320 2.829 20 0 GFADRO CCC([NH3+])(CC)CNC(=O)C(=O)N(C)[C@H](C)c1ccccc1Br ZINC000420082390 563258142 /nfs/dbraw/zinc/25/81/42/563258142.db2.gz QIPAFVLSRUJNDF-GFCCVEGCSA-N 1 0 384.318 2.602 20 0 GFADRO C[C@H]1C[N@H+](CCCNC(=O)Cc2cc(F)ccc2Br)CCCO1 ZINC000278497612 563258613 /nfs/dbraw/zinc/25/86/13/563258613.db2.gz LJPQPGODLSVVDX-ZDUSSCGKSA-N 1 0 387.293 2.748 20 0 GFADRO Cn1cc([C@@H]2[C@@H](CNC(=O)c3ccc(Cl)nc3Cl)CCC[N@@H+]2C)cn1 ZINC000370911658 563260015 /nfs/dbraw/zinc/26/00/15/563260015.db2.gz NZHPIJRZYQHWQK-ABAIWWIYSA-N 1 0 382.295 2.935 20 0 GFADRO CC(C)Cc1ncnc(N2CC[C@@H](C)C[C@H]2C[NH3+])c1I ZINC000420261426 563261244 /nfs/dbraw/zinc/26/12/44/563261244.db2.gz PXACXXANLJQLES-NEPJUHHUSA-N 1 0 388.297 2.843 20 0 GFADRO CC(C)Cc1ncnc(NC[C@@H]2CCC[C@H]([NH3+])C2)c1I ZINC000420279182 563261937 /nfs/dbraw/zinc/26/19/37/563261937.db2.gz JXJITOXNEQEIFK-NEPJUHHUSA-N 1 0 388.297 3.209 20 0 GFADRO C[C@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)N1CCCO[C@@H](C[NH3+])C1 ZINC000420381470 563262627 /nfs/dbraw/zinc/26/26/27/563262627.db2.gz CTWFWJSOJLYARA-PWSUYJOCSA-N 1 0 379.810 2.735 20 0 GFADRO Cn1ncc(Br)c1C[NH2+][C@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1 ZINC000278615097 563263321 /nfs/dbraw/zinc/26/33/21/563263321.db2.gz DGCIPFWJPWALQE-HOCLYGCPSA-N 1 0 385.256 2.996 20 0 GFADRO O=S(=O)(c1cc(Br)sc1Cl)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000420448437 563263480 /nfs/dbraw/zinc/26/34/80/563263480.db2.gz LTDAHZIVQBADJV-JGVFFNPUSA-N 1 0 385.736 2.537 20 0 GFADRO NC(=O)[C@H](c1cccc(Br)c1)N1CCC2(CCC(O)CC2)CC1 ZINC000295813572 563263945 /nfs/dbraw/zinc/26/39/45/563263945.db2.gz XEFURWPPEDPBMC-INIZCTEOSA-N 1 0 381.314 2.993 20 0 GFADRO Cc1c(Br)cccc1S(=O)(=O)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420464395 563264537 /nfs/dbraw/zinc/26/45/37/563264537.db2.gz OZOJPTAHMCTFPU-DZGCQCFKSA-N 1 0 387.343 2.910 20 0 GFADRO CC(=O)Nc1ccc(C[NH2+]Cc2cc(Br)c3c(c2)OCCO3)cn1 ZINC000278656216 563264662 /nfs/dbraw/zinc/26/46/62/563264662.db2.gz MSRVEZQUDYEAQA-UHFFFAOYSA-N 1 0 392.253 2.864 20 0 GFADRO O=C(NCCC[NH+]1CCC(O)CC1)c1cc(Cl)cc(Br)c1F ZINC000278656399 563264934 /nfs/dbraw/zinc/26/49/34/563264934.db2.gz RPPZEMFIHBQHMB-UHFFFAOYSA-N 1 0 393.684 2.818 20 0 GFADRO COc1ccc(Cl)cc1S(=O)(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000420472174 563265160 /nfs/dbraw/zinc/26/51/60/563265160.db2.gz RUCHVSFCQBHWJM-LSDHHAIUSA-N 1 0 384.860 2.603 20 0 GFADRO C[C@@H]1CCN(S(=O)(=O)c2cccc(Cl)c2Br)C[C@H]1C[NH3+] ZINC000420480894 563265996 /nfs/dbraw/zinc/26/59/96/563265996.db2.gz QAETZZXRQYCYHA-NXEZZACHSA-N 1 0 381.723 2.708 20 0 GFADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)c1cc(Cl)cc(Br)c1F ZINC000278704344 563267908 /nfs/dbraw/zinc/26/79/08/563267908.db2.gz WEFDHKRNYAVYJP-SNVBAGLBSA-N 1 0 392.700 2.607 20 0 GFADRO C[NH+](C)C1CCC(Nc2cnn(-c3ccccn3)c(=O)c2Br)CC1 ZINC000420627658 563268947 /nfs/dbraw/zinc/26/89/47/563268947.db2.gz ODHAYJHBZKBKDQ-UHFFFAOYSA-N 1 0 392.301 2.675 20 0 GFADRO O=C(c1cc2c(c(Br)c1)OCO2)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000371232932 563269044 /nfs/dbraw/zinc/26/90/44/563269044.db2.gz VTBGCFOHSXCVIP-AWEZNQCLSA-N 1 0 381.270 2.782 20 0 GFADRO O=C(c1cc2c(c(Br)c1)OCO2)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000371232933 563269075 /nfs/dbraw/zinc/26/90/75/563269075.db2.gz VTBGCFOHSXCVIP-CQSZACIVSA-N 1 0 381.270 2.782 20 0 GFADRO CO[C@H](CC(C)C)CS(=O)(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000420661924 563270532 /nfs/dbraw/zinc/27/05/32/563270532.db2.gz IPCNVMZKMHJBJL-DLBZAZTESA-N 1 0 388.599 2.941 20 0 GFADRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)S(=O)(=O)c1cc(Cl)ccc1OC(F)F ZINC000420670948 563272086 /nfs/dbraw/zinc/27/20/86/563272086.db2.gz IQVJMCHZSDEDLU-ZYHUDNBSSA-N 1 0 382.860 2.902 20 0 GFADRO O=C(Nc1ccc(Br)c(F)c1)C(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000296217089 563279406 /nfs/dbraw/zinc/27/94/06/563279406.db2.gz PMJJUSLKBJGICF-UHFFFAOYSA-N 1 0 398.276 2.660 20 0 GFADRO CN(C[C@@H]1CCC[N@@H+]1C)S(=O)(=O)c1ccc(Br)c(Cl)c1 ZINC000420734020 563280790 /nfs/dbraw/zinc/28/07/90/563280790.db2.gz INBUXSQLVAAZIO-JTQLQIEISA-N 1 0 381.723 2.817 20 0 GFADRO COc1ccc(Br)cc1S(=O)(=O)NC1CCC([NH+](C)C)CC1 ZINC000420748792 563283101 /nfs/dbraw/zinc/28/31/01/563283101.db2.gz QUNYCUUWOPXEDC-UHFFFAOYSA-N 1 0 391.331 2.609 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)Cc1cc[nH]c(=O)c1Br)c1ccccc1 ZINC000279106288 563284593 /nfs/dbraw/zinc/28/45/93/563284593.db2.gz SZJXUPGTQIXTPN-CQSZACIVSA-N 1 0 378.270 2.511 20 0 GFADRO COC(=O)C[C@@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(Br)cc1 ZINC000279155820 563285787 /nfs/dbraw/zinc/28/57/87/563285787.db2.gz HTMSDAZXFXTXEY-DUVNUKRYSA-N 1 0 397.313 2.900 20 0 GFADRO C[NH+](C)C1CCC(NC(=O)NCc2cc3c(c(Br)c2)OCO3)CC1 ZINC000420902504 563290483 /nfs/dbraw/zinc/29/04/83/563290483.db2.gz NIUOMTNOTHOZFO-UHFFFAOYSA-N 1 0 398.301 2.850 20 0 GFADRO CNC(=O)[C@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000420979439 563292084 /nfs/dbraw/zinc/29/20/84/563292084.db2.gz STFUZZLVQFHIHB-ZJUUUORDSA-N 1 0 377.794 2.754 20 0 GFADRO CC[C@@H](CNS(C)(=O)=O)[NH2+][C@H](C)c1ccc(SC(F)F)c(OC)c1 ZINC000296549532 563292222 /nfs/dbraw/zinc/29/22/22/563292222.db2.gz RKJMCFFXPXRORU-PWSUYJOCSA-N 1 0 382.498 2.988 20 0 GFADRO O=C1CC[C@@H](C[NH+]2CCN(Cc3ccc(Br)s3)CC2)CCN1 ZINC000296574563 563292701 /nfs/dbraw/zinc/29/27/01/563292701.db2.gz QRQHPQYHLOHTTQ-CYBMUJFWSA-N 1 0 386.359 2.545 20 0 GFADRO COC(=O)CNC(=O)CC[N@@H+]1CCCC[C@@H]1Cc1cccc(Br)c1 ZINC000421034097 563294007 /nfs/dbraw/zinc/29/40/07/563294007.db2.gz GNUUKECDPFOBCX-MRXNPFEDSA-N 1 0 397.313 2.525 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C[N@@H+]1CC[C@@]2(CNC(=O)C2)C1 ZINC000279397970 563295280 /nfs/dbraw/zinc/29/52/80/563295280.db2.gz KRZHBHPOFAODGI-GOSISDBHSA-N 1 0 389.297 2.655 20 0 GFADRO NC(=O)[C@H]1CC[C@H](C[NH2+]Cc2cn(-c3ccc(Cl)c(Cl)c3)nn2)CC1 ZINC000421348676 563307830 /nfs/dbraw/zinc/30/78/30/563307830.db2.gz GNAMEZHVGTVCDO-HAQNSBGRSA-N 1 0 382.295 2.955 20 0 GFADRO O=C(C[C@H]1CCC[NH2+]CC1)NCCc1ccc(I)s1 ZINC000372499835 563308712 /nfs/dbraw/zinc/30/87/12/563308712.db2.gz CHFSXYYQDGRXPI-NSHDSACASA-N 1 0 392.306 2.791 20 0 GFADRO COc1cc(Br)c(C[NH2+]C[C@H]2CC[C@H](C(N)=O)CC2)cc1OC ZINC000421363153 563308875 /nfs/dbraw/zinc/30/88/75/563308875.db2.gz PCGFABZXHHQTSO-HAQNSBGRSA-N 1 0 385.302 2.848 20 0 GFADRO Cc1cc(Br)c(F)cc1NC(=O)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000296932110 563309086 /nfs/dbraw/zinc/30/90/86/563309086.db2.gz QFSKBAXDFQXHCT-LBPRGKRZSA-N 1 0 388.281 2.865 20 0 GFADRO CC(C)(O)C[N@@H+]1CCCN(C[C@@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000372548918 563309989 /nfs/dbraw/zinc/30/99/89/563309989.db2.gz WFKMJJIBJUQVSS-OAHLLOKOSA-N 1 0 391.339 2.512 20 0 GFADRO C[C@@H](COc1ccc(Cl)c(Cl)c1)[NH2+]CC1(OCCO)CCOCC1 ZINC000296966782 563310162 /nfs/dbraw/zinc/31/01/62/563310162.db2.gz URCDWYVCTKZTAK-ZDUSSCGKSA-N 1 0 378.296 2.908 20 0 GFADRO C[C@H](C(=O)Nc1ccc(Br)cc1)[N@@H+]1CC[C@]2(C1)CCCN(C)C2=O ZINC000372558840 563310994 /nfs/dbraw/zinc/31/09/94/563310994.db2.gz WDTIRUZSPLWMSD-ACJLOTCBSA-N 1 0 394.313 2.720 20 0 GFADRO CN1CCC[C@@]2(CC[N@H+](CCC(=O)Nc3cccc(Br)c3)C2)C1=O ZINC000372558055 563311334 /nfs/dbraw/zinc/31/13/34/563311334.db2.gz QWKXHONJVUJVBG-SFHVURJKSA-N 1 0 394.313 2.722 20 0 GFADRO O=C(Cc1csc(-c2ccc(Cl)cc2)n1)NCC[NH+]1CCC(O)CC1 ZINC000296983507 563311587 /nfs/dbraw/zinc/31/15/87/563311587.db2.gz PIARHOLWXVRETM-UHFFFAOYSA-N 1 0 379.913 2.579 20 0 GFADRO Cc1ncc(C[N@@H+]2CC[C@@H](NC(=O)c3cn4ccnc4s3)[C@@H](C)C2)s1 ZINC000372700830 563314690 /nfs/dbraw/zinc/31/46/90/563314690.db2.gz FZDDJYGSAOFANQ-SMDDNHRTSA-N 1 0 375.523 2.801 20 0 GFADRO C[C@H](CO)[N@@H+]1CCCN(C(=O)c2ccc(Br)cc2Cl)CC1 ZINC000372727450 563315179 /nfs/dbraw/zinc/31/51/79/563315179.db2.gz PORQTUNNQFTXHF-LLVKDONJSA-N 1 0 375.694 2.631 20 0 GFADRO Cc1nc2ccc(Br)cn2c1C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000279963557 563317133 /nfs/dbraw/zinc/31/71/33/563317133.db2.gz PIXQBZYWDSHPQU-UHFFFAOYSA-N 1 0 377.286 2.762 20 0 GFADRO COc1ccc(Br)cc1CNC(=O)Nc1ccnn1CC[NH+](C)C ZINC000297170534 563318016 /nfs/dbraw/zinc/31/80/16/563318016.db2.gz HGRFCVVVKIWWND-UHFFFAOYSA-N 1 0 396.289 2.538 20 0 GFADRO C[NH+](C)C1CCC(NC(=O)c2cc(Br)c3c(c2)OCCO3)CC1 ZINC000421685314 563319483 /nfs/dbraw/zinc/31/94/83/563319483.db2.gz QBSKRTISMQIYQC-UHFFFAOYSA-N 1 0 383.286 2.823 20 0 GFADRO C[NH2+]Cc1cccc(NC(=O)CN(C)C(=O)c2ccc(Br)s2)c1 ZINC000297193287 563319696 /nfs/dbraw/zinc/31/96/96/563319696.db2.gz LYZAPBONJXJJPC-UHFFFAOYSA-N 1 0 396.310 2.941 20 0 GFADRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C1CCN(C(=O)c2ccc(Cl)s2)CC1 ZINC000421708336 563319837 /nfs/dbraw/zinc/31/98/37/563319837.db2.gz ZXONFQMBUMMEPQ-AWEZNQCLSA-N 1 0 383.945 2.806 20 0 GFADRO C[C@H](NC[C@H](C)[N@H+](C)C1CC1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000280093785 563322248 /nfs/dbraw/zinc/32/22/48/563322248.db2.gz MPYZVDZBVGMZRU-UWVGGRQHSA-N 1 0 380.341 2.774 20 0 GFADRO O=C(Nc1nc2cc(Br)ccn2n1)NC1CC[NH+](C2CCC2)CC1 ZINC000297310164 563322856 /nfs/dbraw/zinc/32/28/56/563322856.db2.gz JXORSJOCJQLVKY-UHFFFAOYSA-N 1 0 393.289 2.630 20 0 GFADRO C[C@@H](Cc1ccc(F)cc1Cl)[NH2+]C[C@@H]1CCCCN1S(=O)(=O)N(C)C ZINC000421857767 563323380 /nfs/dbraw/zinc/32/33/80/563323380.db2.gz QEPSLENACKZHRC-BBRMVZONSA-N 1 0 391.940 2.661 20 0 GFADRO O=C(Cc1cccc(I)c1)NC1CC[NH+](C2CCC2)CC1 ZINC000297329365 563323783 /nfs/dbraw/zinc/32/37/83/563323783.db2.gz ZTMXDWHOUDUDBC-UHFFFAOYSA-N 1 0 398.288 2.967 20 0 GFADRO C[C@@H](NCC1([NH+](C)C)CCC1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000280184281 563326283 /nfs/dbraw/zinc/32/62/83/563326283.db2.gz RUWGRUDGOTXIOW-SNVBAGLBSA-N 1 0 380.341 2.776 20 0 GFADRO COc1cc(C[N@@H+]2CC[C@](C)(C(N)=O)C2)cc(Br)c1OC(F)F ZINC000280220103 563327617 /nfs/dbraw/zinc/32/76/17/563327617.db2.gz JDHAICRAESXZFF-HNNXBMFYSA-N 1 0 393.228 2.756 20 0 GFADRO COc1ccc2c(c1)[C@@H]([NH3+])CCN2S(=O)(=O)c1cc(OC)ccc1Cl ZINC000373181385 563331222 /nfs/dbraw/zinc/33/12/22/563331222.db2.gz SJSOZYPOTIYEDU-HNNXBMFYSA-N 1 0 382.869 2.956 20 0 GFADRO CCN(CC)S(=O)(=O)c1ccc(CC[NH2+][C@@H]2C[C@@H](C)n3ccnc32)s1 ZINC000297631669 563331740 /nfs/dbraw/zinc/33/17/40/563331740.db2.gz JHNMLXIRGSUARD-UKRRQHHQSA-N 1 0 382.555 2.813 20 0 GFADRO CN(Cc1cc(Br)cn1C)C(=O)NCc1ccc2c[nH+]cn2c1 ZINC000297644461 563332074 /nfs/dbraw/zinc/33/20/74/563332074.db2.gz VFYKOFPQAJMIEZ-UHFFFAOYSA-N 1 0 376.258 2.777 20 0 GFADRO O=C(NCCCCn1cc(Br)cn1)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000373433669 563337896 /nfs/dbraw/zinc/33/78/96/563337896.db2.gz WHQWSXPOQPUSNI-HNNXBMFYSA-N 1 0 398.349 2.742 20 0 GFADRO CC(C)C[C@@H](CNC(=O)C(=O)Nc1cc(Cl)c(N)c(Cl)c1)[NH+](C)C ZINC000297943110 563340720 /nfs/dbraw/zinc/34/07/20/563340720.db2.gz SCZCOWFXTRXAIH-NSHDSACASA-N 1 0 375.300 2.607 20 0 GFADRO CNC(=O)[C@@]1(C)CC[N@H+](CC(=O)Nc2ccc(Cl)cc2C(F)(F)F)C1 ZINC000280536142 563341948 /nfs/dbraw/zinc/34/19/48/563341948.db2.gz DEGQXMKPKYVOPP-HNNXBMFYSA-N 1 0 377.794 2.755 20 0 GFADRO C[NH+](C)C[C@@H]1CCCN1C(=O)c1ccnc(Cl)c1I ZINC000298020954 563342404 /nfs/dbraw/zinc/34/24/04/563342404.db2.gz BEPQBGYOHYOROZ-VIFPVBQESA-N 1 0 393.656 2.506 20 0 GFADRO O=C(N[C@@H]1COc2cc(F)c(Br)cc21)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000373584904 563343058 /nfs/dbraw/zinc/34/30/58/563343058.db2.gz WBKHNFYOHWLQON-UEKVPHQBSA-N 1 0 398.276 2.948 20 0 GFADRO CC[C@H]([NH2+][C@H]1CCc2c[nH]nc2C1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000373643617 563344968 /nfs/dbraw/zinc/34/49/68/563344968.db2.gz XOWWEEOZRJAFHW-ZFWWWQNUSA-N 1 0 382.917 2.569 20 0 GFADRO Cc1cc(CNC(=O)NC(C)(C)CC[NH3+])ccc1I ZINC000422621557 563345424 /nfs/dbraw/zinc/34/54/24/563345424.db2.gz QMXJGBDNVAZOMF-UHFFFAOYSA-N 1 0 375.254 2.526 20 0 GFADRO CN(C[C@H](O)c1cccc(Br)c1)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000298177586 563347142 /nfs/dbraw/zinc/34/71/42/563347142.db2.gz GGYYTZOWZDXNCA-ZACQAIPSSA-N 1 0 396.329 2.751 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)[C@@H]1C[C@@H](C)CC[NH2+]1 ZINC000422930298 563350767 /nfs/dbraw/zinc/35/07/67/563350767.db2.gz SUECRXBNNGDIJK-NHYWBVRUSA-N 1 0 382.302 2.543 20 0 GFADRO CCN(CC)S(=O)(=O)c1cc(NC(=O)[C@H](C(C)C)[C@@H](C)[NH3+])ccc1Cl ZINC000422922522 563350830 /nfs/dbraw/zinc/35/08/30/563350830.db2.gz TUCAHTINCMTTHZ-MLGOLLRUSA-N 1 0 389.949 2.928 20 0 GFADRO O=C(Nc1cccc(I)c1)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000422914349 563350893 /nfs/dbraw/zinc/35/08/93/563350893.db2.gz SYBRPIVUUHUVDN-CQSZACIVSA-N 1 0 396.232 2.665 20 0 GFADRO O=C(NCc1cc(F)ccc1Br)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000422960087 563352231 /nfs/dbraw/zinc/35/22/31/563352231.db2.gz AROHZHMOVWVXPD-CQSZACIVSA-N 1 0 381.249 2.639 20 0 GFADRO Cc1ccc(F)c(NC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1Br ZINC000373835770 563353574 /nfs/dbraw/zinc/35/35/74/563353574.db2.gz INWRWJLVPKUUOV-VXGBXAGGSA-N 1 0 398.276 2.578 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)[C@@H]1CCCN1C(=O)c1cccs1)c1ccsc1 ZINC000298396584 563353861 /nfs/dbraw/zinc/35/38/61/563353861.db2.gz SVTHCHWNYQRXQI-GJZGRUSLSA-N 1 0 377.535 2.833 20 0 GFADRO [NH3+]CC1CCN(C(=O)C(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)CC1 ZINC000423095863 563354821 /nfs/dbraw/zinc/35/48/21/563354821.db2.gz NHEZOTFJXLFMLO-INIZCTEOSA-N 1 0 384.307 2.854 20 0 GFADRO C[C@@H]([NH2+][C@@H](C)C1CCOCC1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000280808536 563355481 /nfs/dbraw/zinc/35/54/81/563355481.db2.gz VKJGBBKMIOTZDW-WDEREUQCSA-N 1 0 391.331 2.562 20 0 GFADRO Cc1ccc([C@@H]([NH2+]CCOCC(F)(F)C(F)F)[C@@H](C)S(C)(=O)=O)cc1 ZINC000280809134 563355498 /nfs/dbraw/zinc/35/54/98/563355498.db2.gz LSZDZWACLJRDSH-OCCSQVGLSA-N 1 0 385.423 2.976 20 0 GFADRO O=C(CCN1CCn2c(Br)cnc2C1)NCc1ccccc1Cl ZINC000298452747 563356130 /nfs/dbraw/zinc/35/61/30/563356130.db2.gz HLUZWFLNGBUZCU-UHFFFAOYSA-N 1 0 397.704 2.821 20 0 GFADRO C[C@@H]([NH2+]C[C@H](CO)Cc1ccc(F)c(Br)c1)c1cnccc1N ZINC000423156082 563357070 /nfs/dbraw/zinc/35/70/70/563357070.db2.gz LZXMQYMSUJFAGW-DGCLKSJQSA-N 1 0 382.277 2.898 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)[C@@H](C(C)C)[C@H](C)[NH3+] ZINC000423130884 563357156 /nfs/dbraw/zinc/35/71/56/563357156.db2.gz SJXOFINHZGAVKB-LRDDRELGSA-N 1 0 384.318 2.822 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N(Cc2ccc(Cl)c(Cl)c2)C2CC2)C1 ZINC000423170500 563357646 /nfs/dbraw/zinc/35/76/46/563357646.db2.gz MFUCOPHFWKSSOM-AAEUAGOBSA-N 1 0 384.307 2.680 20 0 GFADRO CC(C)[C@H](C(=O)NCCC(=O)N(C)Cc1ccccc1Br)[C@@H](C)[NH3+] ZINC000423175200 563358672 /nfs/dbraw/zinc/35/86/72/563358672.db2.gz DJHAJLZFCWXIKG-DYVFJYSZSA-N 1 0 398.345 2.533 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)N(C)C[C@@H](O)c2cccc(Br)c2)C[N@@H+]1C1CC1 ZINC000298534659 563358876 /nfs/dbraw/zinc/35/88/76/563358876.db2.gz CSFRIENJPANDSR-SRCQZFHVSA-N 1 0 396.329 2.749 20 0 GFADRO CN(CC1(c2ccc(Br)cc2)CC1)C(=O)COC1CC[NH2+]CC1 ZINC000423240769 563359553 /nfs/dbraw/zinc/35/95/53/563359553.db2.gz XIMSQSQEUVKACU-UHFFFAOYSA-N 1 0 381.314 2.708 20 0 GFADRO COC[C@H](NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1cccc(Cl)c1F ZINC000423405345 563360454 /nfs/dbraw/zinc/36/04/54/563360454.db2.gz ZAFKGVQGSRHRJW-KBPBESRZSA-N 1 0 383.817 2.592 20 0 GFADRO CCN(Cc1ccccc1Br)C(=O)C(=O)N(C)CC[C@H]([NH3+])C(C)C ZINC000423594418 563361960 /nfs/dbraw/zinc/36/19/60/563361960.db2.gz JZVVWUNAAWCJPQ-INIZCTEOSA-N 1 0 398.345 2.629 20 0 GFADRO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N2CCc3cc(Cl)c(Cl)cc3[C@@H]2C)C1 ZINC000423569632 563362128 /nfs/dbraw/zinc/36/21/28/563362128.db2.gz YKDNPWCQQSHRPW-RYUDHWBXSA-N 1 0 384.307 2.507 20 0 GFADRO C[NH2+]C1CCN(C(=O)C(=O)N2CCc3cc(Cl)cc(Cl)c3[C@@H]2C)CC1 ZINC000423546462 563362212 /nfs/dbraw/zinc/36/22/12/563362212.db2.gz FEIWYXVAEDVLHJ-NSHDSACASA-N 1 0 384.307 2.650 20 0 GFADRO Cc1ccncc1C[NH2+]C[C@H](O)COc1ccc(I)cc1 ZINC000280982377 563362876 /nfs/dbraw/zinc/36/28/76/563362876.db2.gz UNCFJYMGIQSIIU-HNNXBMFYSA-N 1 0 398.244 2.524 20 0 GFADRO CCC(=O)c1ccc(NC[C@@H](c2cccs2)[NH+](C)C)c(S(N)(=O)=O)c1 ZINC000281049002 563364204 /nfs/dbraw/zinc/36/42/04/563364204.db2.gz WUDQEPKYBZYPQA-AWEZNQCLSA-N 1 0 381.523 2.703 20 0 GFADRO C[C@@H](C[S@@](C)=O)[N@H+](C)CCc1nc2sc3c(c2c(N)n1)CC[C@@H](C)C3 ZINC000298722956 563364651 /nfs/dbraw/zinc/36/46/51/563364651.db2.gz BEYLWHARFQLADP-PUXAFBORSA-N 1 0 380.583 2.640 20 0 GFADRO Cc1cc(C(=O)NC2CCC(N3CC[NH2+]CC3)CC2)c(Br)s1 ZINC000423942065 563364817 /nfs/dbraw/zinc/36/48/17/563364817.db2.gz APGMPRCCOKNIJJ-UHFFFAOYSA-N 1 0 386.359 2.765 20 0 GFADRO O=C(NC1CCC(N2CC[NH2+]CC2)CC1)c1c(F)cccc1Br ZINC000423950901 563365083 /nfs/dbraw/zinc/36/50/83/563365083.db2.gz ODVKHZWUBVMFIE-UHFFFAOYSA-N 1 0 384.293 2.534 20 0 GFADRO C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@H]1NC(=O)N1CCC=C(Br)C1 ZINC000374244097 563365957 /nfs/dbraw/zinc/36/59/57/563365957.db2.gz LKDKDVWVFRYPGM-FVQBIDKESA-N 1 0 386.334 2.570 20 0 GFADRO O=C(Cc1ccc(I)cc1)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000423983931 563366367 /nfs/dbraw/zinc/36/63/67/563366367.db2.gz VWJBNENYCOSHEI-ZBFHGGJFSA-N 1 0 398.288 2.824 20 0 GFADRO O=C(CCCNC(=O)c1ccsc1)Nc1nc(C2CC[NH2+]CC2)cs1 ZINC000423978639 563366639 /nfs/dbraw/zinc/36/66/39/563366639.db2.gz MVGWFQUTLAQTJF-UHFFFAOYSA-N 1 0 378.523 2.820 20 0 GFADRO C[C@@H]1CCN(C(=O)c2nn(-c3ccc(F)cc3)cc2Br)C[C@@H]1C[NH3+] ZINC000424012850 563367084 /nfs/dbraw/zinc/36/70/84/563367084.db2.gz KBBUBZKVIXEQEV-NEPJUHHUSA-N 1 0 395.276 2.831 20 0 GFADRO C[C@@H]1CCN(C(=O)c2ccn(-c3cccc(Br)c3)n2)C[C@H]1C[NH3+] ZINC000424010857 563367098 /nfs/dbraw/zinc/36/70/98/563367098.db2.gz ISVZDGWOLSYZOG-CHWSQXEVSA-N 1 0 377.286 2.692 20 0 GFADRO O=S(=O)(c1c[nH]c2ncccc12)N1CCNC[C@@H]1c1ccccc1Cl ZINC000374310417 563367273 /nfs/dbraw/zinc/36/72/73/563367273.db2.gz KHDBGZSNFVGRDG-OAHLLOKOSA-N 1 0 376.869 2.552 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)CCCSc2ccc(Br)cc2)CCCO1 ZINC000424029544 563367804 /nfs/dbraw/zinc/36/78/04/563367804.db2.gz YEXXTVPQZIYNLR-CQSZACIVSA-N 1 0 387.343 2.898 20 0 GFADRO C[NH2+]CCCN(C)C(=O)c1cccn1-c1cccc(I)c1 ZINC000424035686 563367887 /nfs/dbraw/zinc/36/78/87/563367887.db2.gz SSSDSEZSPUKZEA-UHFFFAOYSA-N 1 0 397.260 2.763 20 0 GFADRO Cc1cc(C(=O)N2CCCO[C@H](C[NH3+])C2)nn1-c1ccc(Cl)cc1Cl ZINC000424024797 563367991 /nfs/dbraw/zinc/36/79/91/563367991.db2.gz RKECSBJGHJTCNT-CYBMUJFWSA-N 1 0 383.279 2.677 20 0 GFADRO C[C@H]1CN(C(=O)c2sccc2Br)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000374318112 563368105 /nfs/dbraw/zinc/36/81/05/563368105.db2.gz PCYULHKQLSYNHT-JSGCOSHPSA-N 1 0 386.359 2.609 20 0 GFADRO COc1cc(C(=O)N2C[C@@H]([NH3+])Cc3ccccc32)cc(Br)c1OC ZINC000424074974 563369411 /nfs/dbraw/zinc/36/94/11/563369411.db2.gz KZTAOHZJWGJWCG-ZDUSSCGKSA-N 1 0 391.265 2.997 20 0 GFADRO CC1(C)CN(C(=O)[C@H]2CCN(c3cc(Cl)cc(Cl)c3)C2=O)CC[C@@H]1[NH3+] ZINC000374508870 563374807 /nfs/dbraw/zinc/37/48/07/563374807.db2.gz VDEYJRCHORZGEI-CABCVRRESA-N 1 0 384.307 2.932 20 0 GFADRO Cc1ccc(S(=O)(=O)N2CC3(C[C@H]2C)CC[NH2+]CC3)c(Br)c1 ZINC000424392325 563377815 /nfs/dbraw/zinc/37/78/15/563377815.db2.gz PDIHNVQWTQIVAT-CYBMUJFWSA-N 1 0 387.343 2.910 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C[C@@H]3Sc4ccc(Cl)cc4NC3=O)C[C@H]21 ZINC000374646662 563378980 /nfs/dbraw/zinc/37/89/80/563378980.db2.gz QUPDDWYWCVHOJH-VSBTWAGUSA-N 1 0 379.913 2.729 20 0 GFADRO CCC[NH+]1CCC(N(C)C(=O)CN2C(=S)N=NC2c2cccs2)CC1 ZINC000299269407 563379917 /nfs/dbraw/zinc/37/99/17/563379917.db2.gz XMZLKVNJIMIEFQ-UHFFFAOYSA-N 1 0 379.555 2.628 20 0 GFADRO CC[NH+]1CCN(CCCNC(=O)c2c(C)ccc(Br)c2OC)CC1 ZINC000424581879 563382477 /nfs/dbraw/zinc/38/24/77/563382477.db2.gz GVNPMORDRSRZHJ-UHFFFAOYSA-N 1 0 398.345 2.524 20 0 GFADRO NC(=O)c1ccsc1NC(=O)CC[N@@H+]1CCSC[C@H]1c1ccccc1 ZINC000299441982 563383514 /nfs/dbraw/zinc/38/35/14/563383514.db2.gz YIUCBTIHSCYNQI-HNNXBMFYSA-N 1 0 375.519 2.966 20 0 GFADRO COc1c(Br)ccc(C)c1C(=O)NCC1([NH+](C)C)CCOCC1 ZINC000424663235 563386595 /nfs/dbraw/zinc/38/65/95/563386595.db2.gz HVNFCFVKMCTSER-UHFFFAOYSA-N 1 0 385.302 2.607 20 0 GFADRO COc1cc(C(=O)NCCC2CC[NH+](C)CC2)cc(OC)c1Br ZINC000299597863 563387212 /nfs/dbraw/zinc/38/72/12/563387212.db2.gz FFZJQHGBICIKGL-UHFFFAOYSA-N 1 0 385.302 2.928 20 0 GFADRO CC1(C)NC(=O)CC[C@@H]1NC(=O)C1CC[NH+](Cc2ccc(Cl)s2)CC1 ZINC000375008137 563387710 /nfs/dbraw/zinc/38/77/10/563387710.db2.gz KFEVZAOZEBBDSP-AWEZNQCLSA-N 1 0 383.945 2.787 20 0 GFADRO C[NH+](C)CCCCNC(=O)[C@H]1CCCN1C(=O)c1ccc(Br)cc1 ZINC000299699037 563389533 /nfs/dbraw/zinc/38/95/33/563389533.db2.gz WJMNPIJFIPBGRL-MRXNPFEDSA-N 1 0 396.329 2.512 20 0 GFADRO COc1c(Br)ccc(C)c1C(=O)NCCCC[N@@H+]1CCC[C@@H]1CO ZINC000424746559 563390139 /nfs/dbraw/zinc/39/01/39/563390139.db2.gz XLNIEMONXZIXIT-CQSZACIVSA-N 1 0 399.329 2.733 20 0 GFADRO CCOc1c(Br)cc(C[NH2+]Cc2cnn(CCOC)c2)cc1OC ZINC000281930918 563390433 /nfs/dbraw/zinc/39/04/33/563390433.db2.gz HISWTWOKAJZGJL-UHFFFAOYSA-N 1 0 398.301 2.989 20 0 GFADRO Cc1cc(Br)c(F)cc1NC(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000375223959 563396229 /nfs/dbraw/zinc/39/62/29/563396229.db2.gz HOXVEPAKJKIBAS-NWDGAFQWSA-N 1 0 386.265 2.881 20 0 GFADRO CC[NH+]1CCC(NS(=O)(=O)c2ccc(Cl)cc2Br)CC1 ZINC000282072062 563396393 /nfs/dbraw/zinc/39/63/93/563396393.db2.gz ZNENATGEXIQRNI-UHFFFAOYSA-N 1 0 381.723 2.865 20 0 GFADRO NS(=O)(=O)c1cnc(NCc2ccccc2C[NH+]2CCCCCC2)s1 ZINC000301238785 563397082 /nfs/dbraw/zinc/39/70/82/563397082.db2.gz MZPGJTXGTKRJFU-UHFFFAOYSA-N 1 0 380.539 2.779 20 0 GFADRO Cn1ncc(NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)c(Br)c1=O ZINC000301237677 563397243 /nfs/dbraw/zinc/39/72/43/563397243.db2.gz MIQGNVXZAFEVOK-LBPRGKRZSA-N 1 0 397.342 2.928 20 0 GFADRO [NH3+][C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1 ZINC000375253773 563397369 /nfs/dbraw/zinc/39/73/69/563397369.db2.gz VMGCMAKMVVWLIU-FBUXBERBSA-N 1 0 382.291 2.827 20 0 GFADRO O=S(=O)(c1ccc(F)cc1C(F)(F)F)N1CCCC2(CC[NH2+]CC2)C1 ZINC000375267649 563397584 /nfs/dbraw/zinc/39/75/84/563397584.db2.gz WSUXCOABQYZNSX-UHFFFAOYSA-N 1 0 380.407 2.999 20 0 GFADRO C[NH+]1CCN(CCNC(=O)C(C)(C)c2csc(-c3cccs3)n2)CC1 ZINC000282191565 563400955 /nfs/dbraw/zinc/40/09/55/563400955.db2.gz WPQSMVNEEAYJTN-UHFFFAOYSA-N 1 0 378.567 2.513 20 0 GFADRO O=C(NCc1cnc2n1CCCC2)C(=O)Nc1cc(Cl)c(F)c(Cl)c1 ZINC000375389571 563402447 /nfs/dbraw/zinc/40/24/47/563402447.db2.gz IFCFCFZDYUMSRO-UHFFFAOYSA-N 1 0 385.226 2.920 20 0 GFADRO C[N@@H+]1C[C@@H]2CCCN(C(=O)c3ccc(Br)c4c3OCCC4)[C@@H]2C1 ZINC000425066796 563402602 /nfs/dbraw/zinc/40/26/02/563402602.db2.gz PRYPBGRIAZVLBC-BLLLJJGKSA-N 1 0 379.298 2.940 20 0 GFADRO Cc1cc(C(=O)Nc2cc(Br)ccc2N(C)CC[NH+](C)C)no1 ZINC000425101029 563404498 /nfs/dbraw/zinc/40/44/98/563404498.db2.gz XFLGSIAVNARQFL-UHFFFAOYSA-N 1 0 381.274 2.996 20 0 GFADRO O=C(COc1c(Cl)cccc1Cl)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000282287077 563405003 /nfs/dbraw/zinc/40/50/03/563405003.db2.gz ZIQMWLWBYYTOFD-AWEZNQCLSA-N 1 0 387.307 2.943 20 0 GFADRO C[N@H+]1CC=C(CNS(=O)(=O)c2c(Cl)cccc2Br)CC1 ZINC000282276084 563405176 /nfs/dbraw/zinc/40/51/76/563405176.db2.gz ISAGMMMKBSFFQF-UHFFFAOYSA-N 1 0 379.707 2.643 20 0 GFADRO O=S(=O)(NCC[NH+]1CCCC1)c1ccc2ccccc2c1Br ZINC000425141897 563406126 /nfs/dbraw/zinc/40/61/26/563406126.db2.gz KLYSLSCUXZTRBD-UHFFFAOYSA-N 1 0 383.311 2.976 20 0 GFADRO Cc1c(Br)cccc1NC(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000282379475 563409480 /nfs/dbraw/zinc/40/94/80/563409480.db2.gz WCIPITFEOIDMHO-UHFFFAOYSA-N 1 0 383.334 2.905 20 0 GFADRO COc1cc2[nH+]ccc(NC[C@H]3CN(C4CC4)CCO3)c2cc1Br ZINC000425219473 563412774 /nfs/dbraw/zinc/41/27/74/563412774.db2.gz AKIWCBWTZNVQQD-ZDUSSCGKSA-N 1 0 392.297 2.703 20 0 GFADRO COCCn1cc(CNc2cc[nH+]c3cc(OC)c(Br)cc23)cn1 ZINC000425252675 563414960 /nfs/dbraw/zinc/41/49/60/563414960.db2.gz BPIQOEZIYPMDDA-UHFFFAOYSA-N 1 0 391.269 2.883 20 0 GFADRO COC(=O)c1sc(NC[C@@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)nc1Cl ZINC000301895007 563415331 /nfs/dbraw/zinc/41/53/31/563415331.db2.gz XMSYYDNRRPBPBM-QWHCGFSZSA-N 1 0 381.885 2.630 20 0 GFADRO COc1cc2[nH+]ccc(N3CC[C@@H](C(=O)N(C)C)C3)c2cc1Br ZINC000425265667 563415761 /nfs/dbraw/zinc/41/57/61/563415761.db2.gz FJGUZQDVZHZVQM-LLVKDONJSA-N 1 0 378.270 2.920 20 0 GFADRO COc1cc2[nH+]ccc(N[C@H](CO)[C@H]3CCCOC3)c2cc1Br ZINC000425269335 563416367 /nfs/dbraw/zinc/41/63/67/563416367.db2.gz QRKSPVQJROCPJP-MEDUHNTESA-N 1 0 381.270 2.627 20 0 GFADRO COC(=O)c1sc(NCC2(N3CCCCC3)CC[NH+](C)CC2)nc1Cl ZINC000301959071 563416759 /nfs/dbraw/zinc/41/67/59/563416759.db2.gz PCKISPBMHBYRMI-UHFFFAOYSA-N 1 0 386.949 2.945 20 0 GFADRO CS[C@@H]1CC[C@@H]1[NH2+]CCCNS(=O)(=O)c1ccccc1Br ZINC000425388782 563419500 /nfs/dbraw/zinc/41/95/00/563419500.db2.gz WTSLXCKWPWAYIG-QWHCGFSZSA-N 1 0 393.372 2.601 20 0 GFADRO COCC(C)(C)[NH+]1CCN(C(=O)NCCc2ccccc2Br)CC1 ZINC000425430937 563422096 /nfs/dbraw/zinc/42/20/96/563422096.db2.gz BXEARSKLTGFKRL-UHFFFAOYSA-N 1 0 398.345 2.744 20 0 GFADRO C[C@@H]([NH2+][C@H]1COc2cc(F)c(Br)cc21)C1CCS(=O)(=O)CC1 ZINC000282754095 563423848 /nfs/dbraw/zinc/42/38/48/563423848.db2.gz OGYYRTGQLBQGEI-OTYXRUKQSA-N 1 0 392.290 2.825 20 0 GFADRO C[C@H](Oc1ccc(Br)cc1)C(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000282852922 563427291 /nfs/dbraw/zinc/42/72/91/563427291.db2.gz TXCXQKYVVOIJEZ-AWEZNQCLSA-N 1 0 399.329 2.522 20 0 GFADRO CC(C)C[NH+]1CCN(c2ncc(Cn3cc(Br)cn3)s2)CC1 ZINC000302812783 563430280 /nfs/dbraw/zinc/43/02/80/563430280.db2.gz HMMNWVPFTSRDLX-UHFFFAOYSA-N 1 0 384.347 2.928 20 0 GFADRO O=C(CCc1cccc(Br)c1)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000302809370 563430301 /nfs/dbraw/zinc/43/03/01/563430301.db2.gz KEBWZRDEIFMJIB-UHFFFAOYSA-N 1 0 394.357 2.622 20 0 GFADRO C[N@H+]1CC=C(CNC(=O)N[C@H]2COc3cc(F)c(Br)cc32)CC1 ZINC000283068582 563434555 /nfs/dbraw/zinc/43/45/55/563434555.db2.gz GQWMMMHDHKEEMO-AWEZNQCLSA-N 1 0 384.249 2.583 20 0 GFADRO Cc1cccc(C(=O)N[C@@H](CC[NH3+])C(F)(F)F)c1I ZINC000307824812 563435175 /nfs/dbraw/zinc/43/51/75/563435175.db2.gz SOTUFGGYAIROJR-VIFPVBQESA-N 1 0 386.155 2.609 20 0 GFADRO CCN(CC[NH3+])CC(=O)Nc1c(Br)cc(C)cc1Br ZINC000311345186 563435706 /nfs/dbraw/zinc/43/57/06/563435706.db2.gz RTEVEHKUJOKKIL-UHFFFAOYSA-N 1 0 393.123 2.739 20 0 GFADRO Cc1cc(S(=O)(=O)N2CCC3(CC[NH2+]CC3)CC2)sc1Br ZINC000313723426 563437566 /nfs/dbraw/zinc/43/75/66/563437566.db2.gz KKHIGZWKDVUNIX-UHFFFAOYSA-N 1 0 393.372 2.973 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)c2ccc(Br)c(C(F)(F)F)c2)CCCO1 ZINC000313334375 563437739 /nfs/dbraw/zinc/43/77/39/563437739.db2.gz FYIIBWNUHFBRSY-JTQLQIEISA-N 1 0 381.192 2.658 20 0 GFADRO Cc1ccc(Br)cc1S(=O)(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000314690546 563439501 /nfs/dbraw/zinc/43/95/01/563439501.db2.gz IMQDQTGKZWZDTR-UKRRQHHQSA-N 1 0 387.343 2.910 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CN(C(=O)c2ccc(Br)c(C(F)(F)F)c2)CCO1 ZINC000317141674 563442638 /nfs/dbraw/zinc/44/26/38/563442638.db2.gz FJCJKOCNDLEENW-PRHODGIISA-N 1 0 381.192 2.656 20 0 GFADRO O=S(=O)(c1ccc(Br)cc1F)N1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000317628336 563443486 /nfs/dbraw/zinc/44/34/86/563443486.db2.gz UZNKMGSGXZFDQR-ZIAGYGMSSA-N 1 0 391.306 2.883 20 0 GFADRO Cc1ccc(F)c(C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)c1Br ZINC000376477854 563444063 /nfs/dbraw/zinc/44/40/63/563444063.db2.gz NFZCJTJRKCOYCR-CYBMUJFWSA-N 1 0 398.320 2.795 20 0 GFADRO C[C@H](C(=O)Nc1cccc(Cl)c1)[N@@H+]1CC[C@@H](C(=O)NCC(F)(F)F)C1 ZINC000426108514 563444181 /nfs/dbraw/zinc/44/41/81/563444181.db2.gz ASXXYPYYZBHAOU-GHMZBOCLSA-N 1 0 377.794 2.667 20 0 GFADRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)NCCCCn1cc(Br)cn1 ZINC000376523164 563445326 /nfs/dbraw/zinc/44/53/26/563445326.db2.gz RFHYLJCOKMNVFY-HOCLYGCPSA-N 1 0 398.349 2.694 20 0 GFADRO [NH3+]C[C@H]1CCCC[C@@]12NC(=O)N(Cc1ccc(Br)cc1F)C2=O ZINC000321128024 563447700 /nfs/dbraw/zinc/44/77/00/563447700.db2.gz CWOLNTUPNXTPPU-BDJLRTHQSA-N 1 0 384.249 2.528 20 0 GFADRO OCC[C@@H]1CCC[N@@H+]1C[C@H](O)COc1ccc(Cl)cc1Br ZINC000426259093 563447986 /nfs/dbraw/zinc/44/79/86/563447986.db2.gz ZVSKPPIXERZGMF-STQMWFEESA-N 1 0 378.694 2.689 20 0 GFADRO CC[N@@H+]1CCCN(C(=O)N[C@@H]2CCN(c3cccc(Br)c3)C2)CC1 ZINC000426431940 563450503 /nfs/dbraw/zinc/45/05/03/563450503.db2.gz FYWYTQABSVMVBA-MRXNPFEDSA-N 1 0 395.345 2.765 20 0 GFADRO C[C@@H]1CN(Cc2cccc(Br)c2OC(F)F)CC[N@@H+]1CCO ZINC000426488169 563452305 /nfs/dbraw/zinc/45/23/05/563452305.db2.gz USHGBTYSMSDDBB-LLVKDONJSA-N 1 0 379.245 2.549 20 0 GFADRO COc1cc(Br)c(C[NH2+][C@H]2CCC(=O)N[C@@H]2C2CC2)cc1OC ZINC000376774911 563454127 /nfs/dbraw/zinc/45/41/27/563454127.db2.gz YTBCYDPXOWUWKM-SUMWQHHRSA-N 1 0 383.286 2.613 20 0 GFADRO CN(C(=O)C[C@H]1CSCC[NH2+]1)[C@H](c1ccc(Cl)cc1)c1cnccn1 ZINC000376815485 563454799 /nfs/dbraw/zinc/45/47/99/563454799.db2.gz IVDVWNLIXGCBKF-MAUKXSAKSA-N 1 0 376.913 2.773 20 0 GFADRO O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000326729145 563456119 /nfs/dbraw/zinc/45/61/19/563456119.db2.gz DQUPPXPKHULRTG-IUODEOHRSA-N 1 0 378.416 2.738 20 0 GFADRO C[NH+]1CCC(NC(=O)C(=O)N(Cc2cccs2)Cc2cccs2)CC1 ZINC000283888760 563458420 /nfs/dbraw/zinc/45/84/20/563458420.db2.gz CGBRLOMTPUFIQV-UHFFFAOYSA-N 1 0 377.535 2.549 20 0 GFADRO COc1c(Br)cccc1C[NH2+][C@H]1CCCc2c1cnn2CCO ZINC000376941877 563459205 /nfs/dbraw/zinc/45/92/05/563459205.db2.gz VDFWTBQSJVFEIU-HNNXBMFYSA-N 1 0 380.286 2.814 20 0 GFADRO C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)C[C@@H]2CC[NH2+]C2)CC1 ZINC000427272380 563463907 /nfs/dbraw/zinc/46/39/07/563463907.db2.gz DQARMHWNKRMTDR-GJZGRUSLSA-N 1 0 380.330 2.654 20 0 GFADRO O=C(C[C@H]1CC[NH2+]C1)N1CCC[C@H]1c1ccccc1I ZINC000427383607 563466801 /nfs/dbraw/zinc/46/68/01/563466801.db2.gz KHLRNLCCOSNPQE-DOMZBBRYSA-N 1 0 384.261 2.954 20 0 GFADRO C[N@@H+]1CC[C@H]2CCN(C(=O)c3ccc(Br)c4c3OCCC4)[C@@H]2C1 ZINC000427454355 563468133 /nfs/dbraw/zinc/46/81/33/563468133.db2.gz YXQJPXJEXOEDER-BLLLJJGKSA-N 1 0 379.298 2.940 20 0 GFADRO COc1ccc(Br)cc1C(=O)CCC(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000427623938 563470791 /nfs/dbraw/zinc/47/07/91/563470791.db2.gz YBYGPRBIDZWQBQ-BXUZGUMPSA-N 1 0 383.286 2.535 20 0 GFADRO Cc1cc(C[NH2+][C@@H]2CCC(=O)N(C)[C@H]2c2ccnn2C)ccc1Br ZINC000284409326 563474130 /nfs/dbraw/zinc/47/41/30/563474130.db2.gz BUFXNWATFGGXOJ-CRAIPNDOSA-N 1 0 391.313 2.943 20 0 GFADRO COCCC[N@@H+]1CCCN(C(=O)/C=C/c2c(Cl)nc3sccn23)CC1 ZINC000377489425 563477115 /nfs/dbraw/zinc/47/71/15/563477115.db2.gz NYMDINDXQQZAPO-SNAWJCMRSA-N 1 0 382.917 2.633 20 0 GFADRO Cn1nccc1[C@H]1[C@H](CNC(=O)c2ccc(Br)o2)CCC[N@@H+]1C ZINC000284504523 563477634 /nfs/dbraw/zinc/47/76/34/563477634.db2.gz DBJCIXRGSWPPAT-XHDPSFHLSA-N 1 0 381.274 2.589 20 0 GFADRO C[N@H+](CCCO)C1CCN(Cc2cccc(I)c2)CC1 ZINC000284519083 563478714 /nfs/dbraw/zinc/47/87/14/563478714.db2.gz YZIXCYVCPXNNEO-UHFFFAOYSA-N 1 0 388.293 2.570 20 0 GFADRO O=C(N[C@H]1CCN(c2cccc(Br)c2)C1)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000428060769 563481775 /nfs/dbraw/zinc/48/17/75/563481775.db2.gz MECIOKFWRJTKMZ-YOEHRIQHSA-N 1 0 378.314 2.771 20 0 GFADRO COc1ccc(S(=O)(=O)N2CC([NH2+][C@H](C)CCc3ccsc3)C2)cc1 ZINC000428075082 563482159 /nfs/dbraw/zinc/48/21/59/563482159.db2.gz GZSUIWRCJKUNPD-CQSZACIVSA-N 1 0 380.535 2.741 20 0 GFADRO CCS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)c1 ZINC000377808682 563487269 /nfs/dbraw/zinc/48/72/69/563487269.db2.gz ZILDZGOVJQYIBE-AWEZNQCLSA-N 1 0 384.929 2.595 20 0 GFADRO O=S1(=O)CCC[C@@H](C[NH2+][C@@H](CO)c2ccc(Cl)cc2C(F)(F)F)C1 ZINC000284787409 563490492 /nfs/dbraw/zinc/49/04/92/563490492.db2.gz NTYYDKMXWDCOTH-HZMBPMFUSA-N 1 0 385.835 2.807 20 0 GFADRO CS(=O)(=O)[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CSCCN2Cc2ccccc2)C1 ZINC000284874695 563493480 /nfs/dbraw/zinc/49/34/80/563493480.db2.gz BBRDRDRCRGYCCN-CEXWTWQISA-N 1 0 382.595 2.549 20 0 GFADRO CC1(C)NC(=O)N(CCC[NH2+][C@@H](c2cncc(Br)c2)C2CC2)C1=O ZINC000284919255 563494596 /nfs/dbraw/zinc/49/45/96/563494596.db2.gz VRTHGFPGQWFVAW-CQSZACIVSA-N 1 0 395.301 2.605 20 0 GFADRO C[C@H]([NH2+][C@H](CO)c1ccc(Br)cc1)C(=O)NCc1ccccc1F ZINC000428797254 563501960 /nfs/dbraw/zinc/50/19/60/563501960.db2.gz PQWMVIBCYSDFKW-YVEFUNNKSA-N 1 0 395.272 2.916 20 0 GFADRO C[C@H](NC(=O)[C@@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1)[C@@H]1CCC[NH2+]C1 ZINC000428955046 563504847 /nfs/dbraw/zinc/50/48/47/563504847.db2.gz SYKIFEGAJKEZFU-YNEHKIRRSA-N 1 0 384.307 2.851 20 0 GFADRO CN(C(=O)NCCCn1ccnc1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000285161902 563506460 /nfs/dbraw/zinc/50/64/60/563506460.db2.gz SPHIXBZTWBLINI-HZPDHXFCSA-N 1 0 383.279 2.880 20 0 GFADRO Cc1ccccc1OC[C@H](O)C[NH2+][C@@H](CO)c1ccc(Br)c(F)c1 ZINC000429017141 563507723 /nfs/dbraw/zinc/50/77/23/563507723.db2.gz CIVREDGYQZDPKL-PBHICJAKSA-N 1 0 398.272 2.960 20 0 GFADRO C[C@H]1C[C@@H]1[N@@H+]1CCN([C@H](C(N)=O)c2cccc(Br)c2)C[C@@H](C)C1 ZINC000429023367 563507936 /nfs/dbraw/zinc/50/79/36/563507936.db2.gz UOLMDHKNASVIBQ-PYTWLRIVSA-N 1 0 380.330 2.638 20 0 GFADRO CCOCCNC(=O)C[NH2+][C@@H](c1cc(Cl)ccc1Cl)[C@H]1CCOC1 ZINC000378493527 563508915 /nfs/dbraw/zinc/50/89/15/563508915.db2.gz IJFLSXMTLYHRRX-YVEFUNNKSA-N 1 0 375.296 2.813 20 0 GFADRO C[C@@H]([NH3+])CCNC(=O)c1ccccc1Sc1ccc(S(C)(=O)=O)cc1 ZINC000429050959 563509249 /nfs/dbraw/zinc/50/92/49/563509249.db2.gz YOKFLJWFJCQXER-CYBMUJFWSA-N 1 0 378.519 2.708 20 0 GFADRO CCCN(C(=O)c1cnc(Sc2nccn2C)c(Cl)c1)[C@@H]1CC[NH2+]C1 ZINC000429096441 563510072 /nfs/dbraw/zinc/51/00/72/563510072.db2.gz DILZEEODJYYVCO-CYBMUJFWSA-N 1 0 379.917 2.834 20 0 GFADRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)C(=O)Nc1ccc(C)cc1Br ZINC000330543194 563510427 /nfs/dbraw/zinc/51/04/27/563510427.db2.gz AVVLJNDDPKZJEI-SCRDCRAPSA-N 1 0 382.302 2.589 20 0 GFADRO C[C@@H](C(=O)Nc1cccc(Br)c1)N1CCO[C@@]2(CCCOC2)C1 ZINC000285284950 563512574 /nfs/dbraw/zinc/51/25/74/563512574.db2.gz JSHXAHRAXYDGHE-GUYCJALGSA-N 1 0 383.286 2.658 20 0 GFADRO Cc1cc(CC(C)(C)[NH2+]CCCN2C(=O)CNC2=O)ccc1Br ZINC000429262327 563512961 /nfs/dbraw/zinc/51/29/61/563512961.db2.gz UBNIEXRCJCJQTF-UHFFFAOYSA-N 1 0 382.302 2.610 20 0 GFADRO CC1(C)Cc2ccc(Br)cc2[C@H]1[NH2+]CCCN1C(=O)CNC1=O ZINC000429278643 563513357 /nfs/dbraw/zinc/51/33/57/563513357.db2.gz RGZAZVIFIVVVOD-OAHLLOKOSA-N 1 0 380.286 2.604 20 0 GFADRO CN(Cc1ccccc1Br)C(=O)C[NH2+][C@H]1Cc2cccc(O)c2C1 ZINC000429328662 563514901 /nfs/dbraw/zinc/51/49/01/563514901.db2.gz MTOAZYYMPZBXSI-HNNXBMFYSA-N 1 0 389.293 2.870 20 0 GFADRO C[C@@H]1[C@@H]([NH+](C)C)CCN1S(=O)(=O)c1c(Cl)cccc1Br ZINC000380777936 563515509 /nfs/dbraw/zinc/51/55/09/563515509.db2.gz RSZKGOUGUIKATG-SKDRFNHKSA-N 1 0 381.723 2.816 20 0 GFADRO CCCNC(=O)NC(=O)C[NH2+][C@H]1c2cccc(Br)c2CC1(C)C ZINC000429409974 563516176 /nfs/dbraw/zinc/51/61/76/563516176.db2.gz PZCGBSSXQRZKFB-HNNXBMFYSA-N 1 0 382.302 2.898 20 0 GFADRO CCC(CC)(C[NH3+])NC(=O)CCNC(=O)Nc1ccc(Br)cc1 ZINC000429394196 563516489 /nfs/dbraw/zinc/51/64/89/563516489.db2.gz NJUFLWUUUURPHU-UHFFFAOYSA-N 1 0 385.306 2.594 20 0 GFADRO C[NH+](C)CC1CN(C(=O)c2cc(Br)sc2Br)C1 ZINC000382150467 563516564 /nfs/dbraw/zinc/51/65/64/563516564.db2.gz HPPWFBZWBMLWGU-UHFFFAOYSA-N 1 0 382.121 2.907 20 0 GFADRO C[C@@H](Nc1cnn(C)c(=O)c1Br)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000383526296 563517368 /nfs/dbraw/zinc/51/73/68/563517368.db2.gz PMRPBCDCTYBEJJ-UKRRQHHQSA-N 1 0 391.313 2.865 20 0 GFADRO CC(C)[C@@H](NCC(=O)N(C)Cc1ccccc1Br)c1nncn1C ZINC000285375360 563517580 /nfs/dbraw/zinc/51/75/80/563517580.db2.gz MVCWYXCIIBRINC-MRXNPFEDSA-N 1 0 394.317 2.523 20 0 GFADRO CS(=O)(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(-c2ccc(Cl)cc2)no1 ZINC000429726268 563521376 /nfs/dbraw/zinc/52/13/76/563521376.db2.gz UULASPIKDDBGEU-HZPDHXFCSA-N 1 0 383.901 2.945 20 0 GFADRO CC(C)(C)[C@@H]1NC(=O)CC[C@H]1[NH2+]Cc1cnc2ccc(Br)cn12 ZINC000285471711 563522164 /nfs/dbraw/zinc/52/21/64/563522164.db2.gz KPVJALDPZWLKJT-CZUORRHYSA-N 1 0 379.302 2.880 20 0 GFADRO COc1ccccc1NC(=O)C[C@H](C)[NH2+]CCn1cc(Br)cn1 ZINC000285540290 563525857 /nfs/dbraw/zinc/52/58/57/563525857.db2.gz DGPITTWJAYEYMQ-LBPRGKRZSA-N 1 0 381.274 2.661 20 0 GFADRO C[C@H](CC(=O)NCc1cc(Br)c2c(c1)OCCO2)[C@@H]1CCC[NH2+]C1 ZINC000429886850 563527486 /nfs/dbraw/zinc/52/74/86/563527486.db2.gz GWUKWRMYHXAZPZ-TZMCWYRMSA-N 1 0 397.313 2.862 20 0 GFADRO CN(CC[N@H+](C)C1CC1)S(=O)(=O)c1cc(Cl)ccc1Br ZINC000429889621 563527999 /nfs/dbraw/zinc/52/79/99/563527999.db2.gz NPZURBCYFRXSRK-UHFFFAOYSA-N 1 0 381.723 2.817 20 0 GFADRO C[C@@H]1C[NH+](CC2CCN(C(=O)C(=O)c3ccc(Cl)s3)CC2)C[C@@H](C)O1 ZINC000430062514 563532669 /nfs/dbraw/zinc/53/26/69/563532669.db2.gz UDJNVAWHZDZVGP-CHWSQXEVSA-N 1 0 384.929 2.932 20 0 GFADRO COCC[N@@H+]1CCC[C@H](NC(=O)c2cc(Cl)ccc2Br)C1 ZINC000398926799 563533725 /nfs/dbraw/zinc/53/37/25/563533725.db2.gz SOKIMTQYJZMUTO-LBPRGKRZSA-N 1 0 375.694 2.943 20 0 GFADRO C[NH2+]Cc1ccccc1CNS(=O)(=O)c1cc(Br)ccc1OC ZINC000404677705 563537130 /nfs/dbraw/zinc/53/71/30/563537130.db2.gz GLLOCOFKSWOKNJ-UHFFFAOYSA-N 1 0 399.310 2.656 20 0 GFADRO CCOC[C@H](C)NC(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000430162732 563537493 /nfs/dbraw/zinc/53/74/93/563537493.db2.gz GMOIOBZISCNNHU-AWEZNQCLSA-N 1 0 386.334 2.947 20 0 GFADRO CS(=O)(=O)N[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(F)cc1Br ZINC000331164410 563538603 /nfs/dbraw/zinc/53/86/03/563538603.db2.gz GHPJIVVGCJOJRA-KGLIPLIRSA-N 1 0 379.295 2.538 20 0 GFADRO O[C@@H]1C[C@H]2CN(Cc3ccc(-c4ccc(Br)cc4)o3)CC[N@@H+]2C1 ZINC000405349968 563538873 /nfs/dbraw/zinc/53/88/73/563538873.db2.gz NJDKVGQJDQWNQG-JKSUJKDBSA-N 1 0 377.282 2.960 20 0 GFADRO C[NH+](C)CCN(Cc1ccco1)C(=O)c1cn2ccc(Br)cc2n1 ZINC000285831666 563538982 /nfs/dbraw/zinc/53/89/82/563538982.db2.gz XUEXOZSNOPZQTC-UHFFFAOYSA-N 1 0 391.269 2.894 20 0 GFADRO CN(C)C(=O)CCC[NH2+]Cc1cc(Cl)ccc1I ZINC000405791085 563539745 /nfs/dbraw/zinc/53/97/45/563539745.db2.gz OWDVIUUJMWWYET-UHFFFAOYSA-N 1 0 380.657 2.903 20 0 GFADRO CS(=O)(=O)N[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(F)c(Br)c1 ZINC000331208756 563540742 /nfs/dbraw/zinc/54/07/42/563540742.db2.gz ZXJJORKJAAOPIR-KBPBESRZSA-N 1 0 379.295 2.538 20 0 GFADRO C[C@@H](C(=O)Nc1cccc(Br)c1)N1C[C@@H](N2CCOCC2)C[C@H]1C ZINC000285975085 563543710 /nfs/dbraw/zinc/54/37/10/563543710.db2.gz NRRIZYOPYPIFJZ-KEYYUXOJSA-N 1 0 396.329 2.571 20 0 GFADRO CC[C@H](Cc1ccccc1Br)NC(=O)[C@@]1(CCOC)CC[NH2+]C1 ZINC000430455225 563543880 /nfs/dbraw/zinc/54/38/80/563543880.db2.gz ZZRPZLOHJURDAQ-CRAIPNDOSA-N 1 0 383.330 2.903 20 0 GFADRO CC(C)(C[NH2+]C1CCC(O)CC1)S(=O)(=O)c1ccc(Br)cc1 ZINC000286017408 563545934 /nfs/dbraw/zinc/54/59/34/563545934.db2.gz JMORGQPCRVADFC-UHFFFAOYSA-N 1 0 390.343 2.895 20 0 GFADRO [NH3+][C@H]1CCCCCC[C@H]1C(=O)N1CCN(c2ccc(Br)cn2)CC1 ZINC000430695867 563547375 /nfs/dbraw/zinc/54/73/75/563547375.db2.gz ARPGDPSUAMDUSS-CVEARBPZSA-N 1 0 395.345 2.790 20 0 GFADRO C[C@H]([NH2+]C[C@H]1CCCS1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430712320 563548345 /nfs/dbraw/zinc/54/83/45/563548345.db2.gz HOBWOKPRTMGWAW-GXSJLCMTSA-N 1 0 379.345 2.643 20 0 GFADRO O=S(=O)(CCN1CC[NH2+]Cc2ccccc21)c1cccc(Br)c1 ZINC000430938953 563550276 /nfs/dbraw/zinc/55/02/76/563550276.db2.gz DOCZBDGXYAERIE-UHFFFAOYSA-N 1 0 395.322 2.833 20 0 GFADRO O=S(=O)(c1cccc(Br)c1Cl)N1CCC2(CC[NH2+]C2)CC1 ZINC000431023992 563551604 /nfs/dbraw/zinc/55/16/04/563551604.db2.gz JTGFGUREWDEFBR-UHFFFAOYSA-N 1 0 393.734 2.867 20 0 GFADRO COc1cc(C)c(Br)cc1S(=O)(=O)NC(C)(C)CCC[NH3+] ZINC000431047325 563552086 /nfs/dbraw/zinc/55/20/86/563552086.db2.gz WWRNHWYQRBMPIU-UHFFFAOYSA-N 1 0 379.320 2.562 20 0 GFADRO C[C@@H]1C[C@H](N2CCOCC2)C[N@@H+]1Cc1nc2cc(Br)ccc2o1 ZINC000286234342 563553145 /nfs/dbraw/zinc/55/31/45/563553145.db2.gz ZGSBMXFVNKAVLC-OCCSQVGLSA-N 1 0 380.286 2.885 20 0 GFADRO COc1ccc(S(=O)(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)c(Cl)c1Cl ZINC000331593862 563554534 /nfs/dbraw/zinc/55/45/34/563554534.db2.gz YFFQTVYTYNLQDJ-MWLCHTKSSA-N 1 0 379.309 2.763 20 0 GFADRO O=C1[C@H](N2CC[C@H](C(F)(F)F)[C@H](CO)C2)CCN1c1cccc(Cl)c1 ZINC000286314677 563555701 /nfs/dbraw/zinc/55/57/01/563555701.db2.gz DCBCZFLCZSBPQC-TUKIKUTGSA-N 1 0 376.806 2.938 20 0 GFADRO OC[C@@H]1C[N@H+](C[C@H](O)COCc2ccccc2Cl)CC[C@@H]1C(F)(F)F ZINC000286299578 563555992 /nfs/dbraw/zinc/55/59/92/563555992.db2.gz CKWVJPMSUPBUPP-KKUMJFAQSA-N 1 0 381.822 2.710 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000331625942 563556038 /nfs/dbraw/zinc/55/60/38/563556038.db2.gz SMZKGTZSTRCZSY-GOSISDBHSA-N 1 0 394.313 2.607 20 0 GFADRO [NH3+]CC[C@@H]1CCCCN1C(=O)[C@H]1CCN(c2ccccc2Br)C1=O ZINC000286322738 563556289 /nfs/dbraw/zinc/55/62/89/563556289.db2.gz YOMCXINFRIRADS-UONOGXRCSA-N 1 0 394.313 2.532 20 0 GFADRO Cc1c([C@H]2[C@H]([NH2+]Cc3ccc(Br)s3)CC(=O)N2C)cnn1C ZINC000331649907 563556414 /nfs/dbraw/zinc/55/64/14/563556414.db2.gz RNEFERJCJBJQGQ-DOMZBBRYSA-N 1 0 383.315 2.614 20 0 GFADRO Cc1cc(C[NH2+][C@H]2CCCN(c3ncc[nH]c3=O)C2)sc1Br ZINC000331650840 563556545 /nfs/dbraw/zinc/55/65/45/563556545.db2.gz UNGFMLGBIQGCEQ-NSHDSACASA-N 1 0 383.315 2.661 20 0 GFADRO C[C@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH2+]C[C@@]1(O)CCOC1 ZINC000286331759 563556606 /nfs/dbraw/zinc/55/66/06/563556606.db2.gz DSEGAWGPKDFMFT-BMIGLBTASA-N 1 0 380.794 2.817 20 0 GFADRO Cc1ccc(-c2csc(C[N@@H+](C)C3CCN(S(C)(=O)=O)CC3)n2)cc1 ZINC000286347574 563557435 /nfs/dbraw/zinc/55/74/35/563557435.db2.gz IWYSWHLZUSDUTK-UHFFFAOYSA-N 1 0 379.551 2.974 20 0 GFADRO C[C@](CO)([NH2+]CC(=O)NCc1cccs1)c1ccc(Br)cc1 ZINC000286392645 563558167 /nfs/dbraw/zinc/55/81/67/563558167.db2.gz HBFABWDDCMLSBC-MRXNPFEDSA-N 1 0 383.311 2.624 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccn(-c2ccc(Br)cc2)n1 ZINC000431677231 563566095 /nfs/dbraw/zinc/56/60/95/563566095.db2.gz UNDYSPZWCHVTPA-OAHLLOKOSA-N 1 0 377.286 2.849 20 0 GFADRO C[C@@H](NC(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1ncc(Br)cn1 ZINC000431822027 563569222 /nfs/dbraw/zinc/56/92/22/563569222.db2.gz MKRNRLFBONLBKE-MGPQQGTHSA-N 1 0 398.349 2.967 20 0 GFADRO C[C@@H]1[C@@H](NC(=O)N[C@H]2COc3cc(F)c(Br)cc32)CCC[N@@H+]1C ZINC000409750085 563569935 /nfs/dbraw/zinc/56/99/35/563569935.db2.gz JNBGMIVKFFYULB-IIMNLJJBSA-N 1 0 386.265 2.804 20 0 GFADRO C[C@@H](NC(=O)c1ccc(Br)cc1)C(=O)N1CCC[C@H]([NH+](C)C)CC1 ZINC000331994980 563570434 /nfs/dbraw/zinc/57/04/34/563570434.db2.gz NATUUYSPJLTPSS-CJNGLKHVSA-N 1 0 396.329 2.510 20 0 GFADRO C[C@H](NC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)c1ncc(Br)cn1 ZINC000431948733 563571149 /nfs/dbraw/zinc/57/11/49/563571149.db2.gz AIAHVVSDINEZOK-WCQYABFASA-N 1 0 386.338 2.966 20 0 GFADRO C[C@H](Oc1ccc(Br)cc1)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000409792411 563571382 /nfs/dbraw/zinc/57/13/82/563571382.db2.gz RFRANPFJAIKVPO-BLLLJJGKSA-N 1 0 387.343 2.770 20 0 GFADRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1S(=O)(=O)c1ccc2nc(Cl)cnc2c1 ZINC000286794518 563574893 /nfs/dbraw/zinc/57/48/93/563574893.db2.gz SKXBVVITCQHIEB-MLGOLLRUSA-N 1 0 380.901 2.531 20 0 GFADRO O=S(=O)(c1cccnc1C(F)(F)F)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000286792428 563575034 /nfs/dbraw/zinc/57/50/34/563575034.db2.gz GYQSGZXBXLSXSU-CYBMUJFWSA-N 1 0 377.432 2.739 20 0 GFADRO CSc1cc2c(cc1NC(=O)N1C[C@@H](SC)[C@@H]([NH+](C)C)C1)OCCO2 ZINC000332141530 563578878 /nfs/dbraw/zinc/57/88/78/563578878.db2.gz JJIDSSJXOSXLCH-BLLLJJGKSA-N 1 0 383.539 2.689 20 0 GFADRO C[C@H]1C[N@H+](CCCNS(=O)(=O)c2c(Cl)cccc2Cl)CCCO1 ZINC000432327363 563581223 /nfs/dbraw/zinc/58/12/23/563581223.db2.gz GMPOPMGFQCYPNX-LBPRGKRZSA-N 1 0 381.325 2.773 20 0 GFADRO C[C@@H]1C[N@H+](CCCNCc2cc(Br)cc3c2OCC3)CCCO1 ZINC000432362826 563582202 /nfs/dbraw/zinc/58/22/02/563582202.db2.gz PIXKUGZKZFJXJV-CQSZACIVSA-N 1 0 383.330 2.975 20 0 GFADRO C[C@@H]1C[N@H+](CCCNCc2cc3c(c(Br)c2)OCO3)CCCO1 ZINC000432370922 563582862 /nfs/dbraw/zinc/58/28/62/563582862.db2.gz WMROSSJXMWIDGO-CYBMUJFWSA-N 1 0 385.302 2.768 20 0 GFADRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1Cc1nc2ccc(Br)cc2o1 ZINC000332221188 563584529 /nfs/dbraw/zinc/58/45/29/563584529.db2.gz JJTTWVWAVMELHU-GFCCVEGCSA-N 1 0 382.302 2.867 20 0 GFADRO C[N@H+](CC(=O)N[C@H]1CCOc2c(Br)cccc21)[C@H]1CCSC1 ZINC000410270660 563586135 /nfs/dbraw/zinc/58/61/35/563586135.db2.gz GVNXSRYIRSXLSS-FZMZJTMJSA-N 1 0 385.327 2.826 20 0 GFADRO CN(C)c1cc(NC(=O)N2CCC[C@H]([NH+](C)C)CC2)ncc1Br ZINC000332271682 563589748 /nfs/dbraw/zinc/58/97/48/563589748.db2.gz DQBLXOYCZJZTJW-LBPRGKRZSA-N 1 0 384.322 2.858 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)N[C@H]1COc2cc(F)c(Br)cc21 ZINC000332322454 563593079 /nfs/dbraw/zinc/59/30/79/563593079.db2.gz ZXYJWZOXQSFAMS-HERUPUMHSA-N 1 0 386.265 2.933 20 0 GFADRO O=C(Nc1cc(Cl)c(Cl)cc1Cl)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000332341010 563594349 /nfs/dbraw/zinc/59/43/49/563594349.db2.gz SEMKCDFKYGUPTJ-BDAKNGLRSA-N 1 0 376.671 2.653 20 0 GFADRO C[C@@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH2+]Cc1cnnn1C ZINC000287288727 563595171 /nfs/dbraw/zinc/59/51/71/563595171.db2.gz JZYXFCGATIMROT-VIFPVBQESA-N 1 0 375.782 2.994 20 0 GFADRO C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CCC1(O)CCOCC1 ZINC000287301149 563595662 /nfs/dbraw/zinc/59/56/62/563595662.db2.gz DPZGONKBTJLECU-ZDUSSCGKSA-N 1 0 385.302 2.687 20 0 GFADRO C[NH+](C)Cc1cccc(CNC(=O)NCCCn2cc(Br)cn2)c1 ZINC000287365559 563598504 /nfs/dbraw/zinc/59/85/04/563598504.db2.gz AKIWJYCVZLAGSE-UHFFFAOYSA-N 1 0 394.317 2.597 20 0 GFADRO Cn1c2cc(Br)ccc2nc1C[N@@H+]1CC[C@@H](C(=O)N2CCCC2)C1 ZINC000287370458 563598509 /nfs/dbraw/zinc/59/85/09/563598509.db2.gz MLBCZOQIFIOOFN-CYBMUJFWSA-N 1 0 391.313 2.780 20 0 GFADRO CN(C(=O)Nc1cc(Cl)ccc1I)C1CC([NH3+])C1 ZINC000332445100 563598901 /nfs/dbraw/zinc/59/89/01/563598901.db2.gz DJUCDMUSACCXDL-UHFFFAOYSA-N 1 0 379.629 2.898 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCc3c(Cl)cc(Cl)cc3[C@@H]2C)CC[NH2+]1 ZINC000332440627 563598973 /nfs/dbraw/zinc/59/89/73/563598973.db2.gz BUNPLQZPSMDVJQ-MDZLAQPJSA-N 1 0 384.307 2.696 20 0 GFADRO [NH3+][C@H]1CCCN(C(=O)C(=O)N2CCC(c3c(Cl)cccc3Cl)CC2)C1 ZINC000332558628 563603990 /nfs/dbraw/zinc/60/39/90/563603990.db2.gz SYTGVCCNGNPWJP-ZDUSSCGKSA-N 1 0 384.307 2.649 20 0 GFADRO CC(C)[C@@H](C[NH3+])C(=O)NC1CCN(Cc2ccc(Br)cc2)CC1 ZINC000433145175 563604020 /nfs/dbraw/zinc/60/40/20/563604020.db2.gz PKCFWXIHGJSPHO-QGZVFWFLSA-N 1 0 382.346 2.761 20 0 GFADRO C[C@H]1C[C@H](NC(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)CC[N@@H+]1C ZINC000332550349 563604176 /nfs/dbraw/zinc/60/41/76/563604176.db2.gz PFAIPPRDQPZOOY-GXTWGEPZSA-N 1 0 386.327 2.703 20 0 GFADRO Cc1cc(NC(=O)CNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)ccc1Br ZINC000332546273 563604378 /nfs/dbraw/zinc/60/43/78/563604378.db2.gz GKYCMNRHBIFNRT-CHWSQXEVSA-N 1 0 382.302 2.685 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)Nc2ccc3nccnc3c2Br)C1 ZINC000332583145 563605639 /nfs/dbraw/zinc/60/56/39/563605639.db2.gz GQDGXMAUKQXNOO-QWRGUYRKSA-N 1 0 378.274 2.983 20 0 GFADRO COCC[N@H+](CCCS(=O)(=O)c1ccccc1OC)[C@@H]1CCCSC1 ZINC000433202247 563606582 /nfs/dbraw/zinc/60/65/82/563606582.db2.gz ZRKPEVBNHCXQTK-MRXNPFEDSA-N 1 0 387.567 2.703 20 0 GFADRO C[C@H]1CCCCN1C(=O)C[NH2+]C(C)(C)COc1ncccc1Br ZINC000332605408 563607461 /nfs/dbraw/zinc/60/74/61/563607461.db2.gz JDYKDVMIRVBFRC-ZDUSSCGKSA-N 1 0 384.318 2.992 20 0 GFADRO COC[C@H](C)OC[C@@H](O)C[N@@H+]1CC[C@@H](Cc2ccc(Br)cc2)C1 ZINC000433296616 563609103 /nfs/dbraw/zinc/60/91/03/563609103.db2.gz IUXXNUOYVHIDFL-ZVZYQTTQSA-N 1 0 386.330 2.726 20 0 GFADRO Cc1ccc(CC(=O)NC[C@H](O)C[NH+]2CCC(C)CC2)cc1Br ZINC000332641305 563609472 /nfs/dbraw/zinc/60/94/72/563609472.db2.gz VGFXQMLEBOBRAW-INIZCTEOSA-N 1 0 383.330 2.509 20 0 GFADRO CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@H](Cc2ccc(Br)cc2)C1 ZINC000433322739 563609531 /nfs/dbraw/zinc/60/95/31/563609531.db2.gz RRWCTBDDMIEWDA-JSGCOSHPSA-N 1 0 382.302 2.548 20 0 GFADRO O[C@H](C[NH2+][C@@H]1CCO[C@H](C(F)(F)F)C1)c1cc(Cl)c2c(c1)OCCO2 ZINC000287640977 563611177 /nfs/dbraw/zinc/61/11/77/563611177.db2.gz KVVAAKFPMLDKHS-QKCSRTOESA-N 1 0 381.778 2.844 20 0 GFADRO O=C(c1ncn([C@H]2CCC[NH2+]C2)n1)N1CCc2c(ccc(Cl)c2Cl)C1 ZINC000433387009 563611750 /nfs/dbraw/zinc/61/17/50/563611750.db2.gz PSNUAPSHXBADRZ-LBPRGKRZSA-N 1 0 380.279 2.708 20 0 GFADRO C[C@@H]1COCC[C@H]1NC(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000433452944 563613247 /nfs/dbraw/zinc/61/32/47/563613247.db2.gz XRDZVNCIFHZVJX-RHSMWYFYSA-N 1 0 398.345 2.947 20 0 GFADRO C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CCC1(O)CCOCC1 ZINC000287695553 563613777 /nfs/dbraw/zinc/61/37/77/563613777.db2.gz WXTZGVGEHUHNFZ-ZDUSSCGKSA-N 1 0 385.302 2.687 20 0 GFADRO C[C@@H](CC[NH+](C)C)NC(=O)Nc1ccc(-c2ccc(Br)s2)nn1 ZINC000433491380 563613868 /nfs/dbraw/zinc/61/38/68/563613868.db2.gz NWFMDXMWHJGJKQ-JTQLQIEISA-N 1 0 398.330 3.429 20 0 GFADRO COCCO[C@@H]1CCC[N@H+](CCC(=O)Nc2cccc(Br)c2)C1 ZINC000411407058 563618041 /nfs/dbraw/zinc/61/80/41/563618041.db2.gz HFUJINRMKMBEOI-MRXNPFEDSA-N 1 0 385.302 2.905 20 0 GFADRO [NH3+][C@@H]1CCCO[C@H]1C1CCN(Cc2cnc3ccc(Br)cn23)CC1 ZINC000333109803 563620853 /nfs/dbraw/zinc/62/08/53/563620853.db2.gz GFAYAHDGJGQBHN-AEFFLSMTSA-N 1 0 393.329 2.815 20 0 GFADRO CSc1ccc(OC[C@H](O)CN2C[C@@H](SC)[C@H]([NH+]3CCCC3)C2)cc1 ZINC000411528238 563622219 /nfs/dbraw/zinc/62/22/19/563622219.db2.gz RPRXAKSIVHNIEE-ATZDWAIDSA-N 1 0 382.595 2.660 20 0 GFADRO C[C@H]([NH2+]CCC(=O)NC(=O)NCC(F)(F)F)c1nc(C(C)(C)C)cs1 ZINC000411538139 563622265 /nfs/dbraw/zinc/62/22/65/563622265.db2.gz WJLNSZUPZXDINX-VIFPVBQESA-N 1 0 380.436 2.869 20 0 GFADRO COC(=O)C[C@@]1([NH2+]CCC(=O)Nc2c(Cl)cccc2Cl)CCOC1 ZINC000411544472 563623065 /nfs/dbraw/zinc/62/30/65/563623065.db2.gz OGFBNEXTECWXMU-INIZCTEOSA-N 1 0 375.252 2.634 20 0 GFADRO O=C(Nc1cc(Br)cc(C(=O)N2CCCC2)c1)N[C@@H]1CCC[NH2+]C1 ZINC000333248122 563625537 /nfs/dbraw/zinc/62/55/37/563625537.db2.gz CCJNECNBIYZAEC-CQSZACIVSA-N 1 0 395.301 2.559 20 0 GFADRO CS[C@H]1CN(c2cc(Br)cnc2C(N)=O)C[C@@H]1[NH+]1CCCC1 ZINC000333255621 563626178 /nfs/dbraw/zinc/62/61/78/563626178.db2.gz ZIDGBNWYVVWYGL-STQMWFEESA-N 1 0 385.331 2.743 20 0 GFADRO O=C(Nc1ccc2nccnc2c1Br)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000333281040 563626740 /nfs/dbraw/zinc/62/67/40/563626740.db2.gz HPILHYDTXBBQLI-WDEREUQCSA-N 1 0 376.258 2.608 20 0 GFADRO O=C(CC[N@@H+](CCO)[C@H]1CCCSC1)Nc1ccc(Br)cc1 ZINC000411674074 563629066 /nfs/dbraw/zinc/62/90/66/563629066.db2.gz YATQLDNAPPOQSX-HNNXBMFYSA-N 1 0 387.343 2.968 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)C(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000411671020 563629074 /nfs/dbraw/zinc/62/90/74/563629074.db2.gz LNXHBYRWRWHEIT-ZDUSSCGKSA-N 1 0 382.302 2.544 20 0 GFADRO O=C(Nc1nnc(-c2c(F)cccc2Cl)s1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000333375419 563629608 /nfs/dbraw/zinc/62/96/08/563629608.db2.gz VPMPIQXYHQQHQQ-MRXNPFEDSA-N 1 0 381.864 3.215 20 0 GFADRO CCS(=O)(=O)N1CCc2cc(-c3csc(C4CC[NH2+]CC4)n3)ccc21 ZINC000434659377 563634445 /nfs/dbraw/zinc/63/44/45/563634445.db2.gz PKWMBTHKTQJLGU-UHFFFAOYSA-N 1 0 377.535 2.989 20 0 GFADRO O=C(N[C@H](c1cncc(Br)c1)C1CC1)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000333528455 563635204 /nfs/dbraw/zinc/63/52/04/563635204.db2.gz HORVVBQNOZMOPG-INWMFGNUSA-N 1 0 379.302 2.546 20 0 GFADRO C[N@@H+](CCC(=O)Nc1ccccc1Br)CCN1CCOC(C)(C)C1 ZINC000434708905 563635584 /nfs/dbraw/zinc/63/55/84/563635584.db2.gz TWDQIIZCVNKDKI-UHFFFAOYSA-N 1 0 398.345 2.820 20 0 GFADRO COc1cc(C)cc(C)c1S(=O)(=O)N1C[C@H](SC)[C@@H]([NH+]2CCCC2)C1 ZINC000434730735 563636253 /nfs/dbraw/zinc/63/62/53/563636253.db2.gz SVIINATXPIZWDZ-RDJZCZTQSA-N 1 0 384.567 2.512 20 0 GFADRO CN(C)c1cc(NC(=O)N2CC[NH+](C3CCC3)CC2)ncc1Br ZINC000333592965 563636643 /nfs/dbraw/zinc/63/66/43/563636643.db2.gz BTAPZYNPXIRSNQ-UHFFFAOYSA-N 1 0 382.306 2.612 20 0 GFADRO O=C(c1ccc(I)cc1Cl)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000435246071 563647037 /nfs/dbraw/zinc/64/70/37/563647037.db2.gz PJVYILHAFUTYAW-LLVKDONJSA-N 1 0 390.652 2.911 20 0 GFADRO O=C(NCc1cc2cc(Br)ccc2[nH]1)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000333652980 563637707 /nfs/dbraw/zinc/63/77/07/563637707.db2.gz WBCAPRYRGBKNIX-YPMHNXCESA-N 1 0 377.286 2.681 20 0 GFADRO CN(C)c1cc(NC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)ncc1Br ZINC000333650181 563637927 /nfs/dbraw/zinc/63/79/27/563637927.db2.gz KGBYMRJVCYBBDH-OCCSQVGLSA-N 1 0 396.333 2.858 20 0 GFADRO CC(C)OCC[NH+]1CCC(NS(=O)(=O)c2ccc(C(F)F)cc2)CC1 ZINC000288319541 563638230 /nfs/dbraw/zinc/63/82/30/563638230.db2.gz WRQQKZUZGJREPY-UHFFFAOYSA-N 1 0 376.469 2.792 20 0 GFADRO O=C(CCc1ncc[nH]1)N1CCN(Cc2cc(Br)ccc2F)CC1 ZINC000288326984 563638254 /nfs/dbraw/zinc/63/82/54/563638254.db2.gz XWZLROBFCIWOHU-UHFFFAOYSA-N 1 0 395.276 2.588 20 0 GFADRO CCOc1cc(C[NH2+]CC2(N3CCOCC3)CC2)cc(Br)c1OC ZINC000434782882 563638561 /nfs/dbraw/zinc/63/85/61/563638561.db2.gz HPOCYYOVNHPCJM-UHFFFAOYSA-N 1 0 399.329 2.811 20 0 GFADRO [NH3+][C@@H]1CCCO[C@H]1C1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000333665978 563638785 /nfs/dbraw/zinc/63/87/85/563638785.db2.gz MJCJSEKZUYJCBY-CVEARBPZSA-N 1 0 393.336 2.900 20 0 GFADRO CC[NH+](CC)Cc1ccc(NC(=O)C(=O)NCC(F)(F)Br)cc1 ZINC000288364684 563640099 /nfs/dbraw/zinc/64/00/99/563640099.db2.gz WOXYNVNHDJDMIC-UHFFFAOYSA-N 1 0 392.244 2.571 20 0 GFADRO [NH3+][C@@H]1CCCO[C@H]1C1CCN(C(=O)c2ccc(Br)c(F)c2)CC1 ZINC000333785209 563641751 /nfs/dbraw/zinc/64/17/51/563641751.db2.gz FIAPXKBRXORGJN-CVEARBPZSA-N 1 0 385.277 2.947 20 0 GFADRO [NH3+][C@@H]1CCCO[C@H]1C1CCN(C(=O)c2cc(F)ccc2Br)CC1 ZINC000333771293 563641757 /nfs/dbraw/zinc/64/17/57/563641757.db2.gz CBBGBZSBRSDHIB-CVEARBPZSA-N 1 0 385.277 2.947 20 0 GFADRO O=C(CC[N@@H+]1CC[C@H](c2ccc(Cl)cc2)C1)NC(=O)NCC(F)(F)F ZINC000435051213 563642409 /nfs/dbraw/zinc/64/24/09/563642409.db2.gz VXMJLQHZYHCDSM-LBPRGKRZSA-N 1 0 377.794 2.908 20 0 GFADRO O=C(c1cnn(-c2ccc(Br)cc2)c1)N1CCC2(CC[NH2+]2)CC1 ZINC000333835350 563643081 /nfs/dbraw/zinc/64/30/81/563643081.db2.gz NHUKXGQBYKZTTA-UHFFFAOYSA-N 1 0 375.270 2.603 20 0 GFADRO C[C@H](NC(=O)C[NH2+][C@@H](CO)[C@@H]1CCCOC1)c1ccc(Cl)c(Cl)c1 ZINC000411986110 563643217 /nfs/dbraw/zinc/64/32/17/563643217.db2.gz PCQKNLKFTNFFAM-GHJWDPDVSA-N 1 0 375.296 2.548 20 0 GFADRO C[C@H](NC(=O)C[NH2+][C@H](CO)[C@H]1CCCOC1)c1ccc(Cl)c(Cl)c1 ZINC000411986108 563643336 /nfs/dbraw/zinc/64/33/36/563643336.db2.gz PCQKNLKFTNFFAM-DETPVDSQSA-N 1 0 375.296 2.548 20 0 GFADRO O=C([C@@H]1CCC[NH2+]C1)N1CCC[C@H]1c1ccc(I)cc1 ZINC000288500644 563645440 /nfs/dbraw/zinc/64/54/40/563645440.db2.gz BGGIXBWQUDWBGX-HIFRSBDPSA-N 1 0 384.261 2.954 20 0 GFADRO COC(=O)[C@@H]1CSCC[N@H+](C[C@H](O)CO[C@@H](C)c2ccc(Cl)cc2)C1 ZINC000412061052 563645789 /nfs/dbraw/zinc/64/57/89/563645789.db2.gz AHZABMSXVBVTPB-QRTARXTBSA-N 1 0 387.929 2.617 20 0 GFADRO O=C(Nc1cccc(Br)c1)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000333937520 563646219 /nfs/dbraw/zinc/64/62/19/563646219.db2.gz LQBPEZWTZJLDNN-UHFFFAOYSA-N 1 0 381.318 2.787 20 0 GFADRO O=C(c1ccc(S(=O)(=O)c2ccccc2)s1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000435243253 563646802 /nfs/dbraw/zinc/64/68/02/563646802.db2.gz SHMWYNVIJYZIJM-AWEZNQCLSA-N 1 0 376.503 2.547 20 0 GFADRO O=C(c1cc(I)ccc1Cl)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000435250186 563647063 /nfs/dbraw/zinc/64/70/63/563647063.db2.gz XNVRTLQBBJOZRY-NSHDSACASA-N 1 0 390.652 2.911 20 0 GFADRO CC(C)[N@@H+](CC(=O)N(C)Cc1ccc(Cl)c(Cl)c1)C[C@H]1CCC(=O)N1 ZINC000412092138 563647682 /nfs/dbraw/zinc/64/76/82/563647682.db2.gz VJLLROGYPGKEQQ-CQSZACIVSA-N 1 0 386.323 2.941 20 0 GFADRO COC(=O)[C@@H]1CSCC[N@H+](CCC(=O)Nc2cc(Cl)ccc2OC)C1 ZINC000412092388 563647748 /nfs/dbraw/zinc/64/77/48/563647748.db2.gz ZOCWCIKDGIVDLX-LBPRGKRZSA-N 1 0 386.901 2.515 20 0 GFADRO Brc1cnc(CN(C2CC2)[C@@H]2CC[NH2+]C2)c(Br)c1 ZINC000435381913 563648942 /nfs/dbraw/zinc/64/89/42/563648942.db2.gz YQGINFSDFYKVBS-LLVKDONJSA-N 1 0 375.108 2.933 20 0 GFADRO CCC[C@@H]([NH2+]C(C)C)C(=O)N[C@@H]1CCO[C@H]1c1cncc(Br)c1 ZINC000412384423 563655741 /nfs/dbraw/zinc/65/57/41/563655741.db2.gz QEHLHVWAHZLJHL-OAGGEKHMSA-N 1 0 384.318 2.957 20 0 GFADRO COC(=O)CC[C@H]([NH3+])C(=O)Nc1ccc(Sc2nnc(C)s2)cc1C ZINC000288755263 563655891 /nfs/dbraw/zinc/65/58/91/563655891.db2.gz NQCSFZXFLRKTGK-LBPRGKRZSA-N 1 0 380.495 2.525 20 0 GFADRO C[C@H](C(=O)N[C@H](CO)c1ccc(Br)c(F)c1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000412370031 563655916 /nfs/dbraw/zinc/65/59/16/563655916.db2.gz WSGWLZGAVRWVKT-AZKPJATDSA-N 1 0 387.293 2.999 20 0 GFADRO CC(C)(NC(=O)c1cccc(Cl)c1)c1noc(C[C@H]2CSCC[NH2+]2)n1 ZINC000435723263 563656714 /nfs/dbraw/zinc/65/67/14/563656714.db2.gz RMJJIDRUYKVRNM-ZDUSSCGKSA-N 1 0 380.901 2.636 20 0 GFADRO COC(=O)CC[C@H]([NH3+])C(=O)N1CCC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000288816529 563658053 /nfs/dbraw/zinc/65/80/53/563658053.db2.gz TVXJTKQDSUJEEE-WFASDCNBSA-N 1 0 389.279 2.644 20 0 GFADRO CC(C)[N@@H+]1CCO[C@H](C(=O)NCc2cc(Cl)cc(Br)c2)C1 ZINC000412626731 563663686 /nfs/dbraw/zinc/66/36/86/563663686.db2.gz UWBQLTPTAHCNKT-AWEZNQCLSA-N 1 0 375.694 2.828 20 0 GFADRO CC(C)(C)[C@H]([NH2+]Cc1ccc(I)c(Cl)c1)C(N)=O ZINC000436107484 563664425 /nfs/dbraw/zinc/66/44/25/563664425.db2.gz RKEPDCKFFBTKAF-LLVKDONJSA-N 1 0 380.657 2.934 20 0 GFADRO CN(C[C@@H]1CCCN(Cc2ccc(F)cc2C(F)(F)F)C1)S(C)(=O)=O ZINC000289398474 563673852 /nfs/dbraw/zinc/67/38/52/563673852.db2.gz OIWXAIQZAIEELX-LBPRGKRZSA-N 1 0 382.423 2.948 20 0 GFADRO CN(CC[N@H+](C)C1CCN(C)CC1)Cc1nc2ccccn2c1Br ZINC000289552848 563678907 /nfs/dbraw/zinc/67/89/07/563678907.db2.gz XWDRZEAMVAPSDN-UHFFFAOYSA-N 1 0 394.361 2.555 20 0 GFADRO COCCC[C@H]([NH2+]CCCn1cc(CO)nn1)c1ccc(Br)cc1 ZINC000289621044 563680439 /nfs/dbraw/zinc/68/04/39/563680439.db2.gz DNTFYFCPVSVUDM-KRWDZBQOSA-N 1 0 397.317 2.681 20 0 GFADRO CN1CCN(C)[C@@H](C[NH2+]Cc2cc(Br)cc(Br)c2)C1 ZINC000289634830 563681400 /nfs/dbraw/zinc/68/14/00/563681400.db2.gz GPDLJLZOVGTUFU-AWEZNQCLSA-N 1 0 391.151 2.547 20 0 GFADRO COCC[N@H+](C)CCCNC(=O)NCc1cccc(Br)c1Cl ZINC000413127337 563682204 /nfs/dbraw/zinc/68/22/04/563682204.db2.gz JBCOGYNHWFOOJZ-UHFFFAOYSA-N 1 0 392.725 2.870 20 0 GFADRO O=C(CCOc1ccc(Cl)cc1Br)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000289668617 563682596 /nfs/dbraw/zinc/68/25/96/563682596.db2.gz JACHCIPRSSOTIT-NWDGAFQWSA-N 1 0 387.705 2.939 20 0 GFADRO NS(=O)(=O)c1ccc2c(c1)[C@@H]([NH2+]C[C@@H](O)c1ccc(Cl)cc1)CCC2 ZINC000289757787 563685438 /nfs/dbraw/zinc/68/54/38/563685438.db2.gz MWCCYXMTVUMMRX-ZWKOTPCHSA-N 1 0 380.897 2.688 20 0 GFADRO CNS(=O)(=O)c1cccc([C@H](C)[NH2+]C[C@@]2(C)OCCc3sccc32)c1 ZINC000289763661 563685827 /nfs/dbraw/zinc/68/58/27/563685827.db2.gz LUMWXPULTLWSOW-SCLBCKFNSA-N 1 0 380.535 2.795 20 0 GFADRO C[N@@H+]1C[C@H](NC(=O)c2ccc(Br)cc2O)[C@H](c2ccccc2)C1 ZINC000437001764 563688352 /nfs/dbraw/zinc/68/83/52/563688352.db2.gz DSISBBCCHGYVJX-HOTGVXAUSA-N 1 0 375.266 2.982 20 0 GFADRO COc1cc2[nH+]ccc(NCc3nn(C)cc3Br)c2cc1OC ZINC000413313312 563688659 /nfs/dbraw/zinc/68/86/59/563688659.db2.gz LBAYJSVFYKDIQK-UHFFFAOYSA-N 1 0 377.242 2.782 20 0 GFADRO COc1cc(CNC(=O)[C@@H]2CC[NH2+][C@H]2C(C)C)cc(Br)c1OC ZINC000289862574 563689621 /nfs/dbraw/zinc/68/96/21/563689621.db2.gz GOUYJBQWYUJACI-DOMZBBRYSA-N 1 0 385.302 2.717 20 0 GFADRO COc1cc(Br)c(CN2CC[C@H](NC(=O)C3CCC3)C2)cc1O ZINC000360675761 563693426 /nfs/dbraw/zinc/69/34/26/563693426.db2.gz XFAYDSDLNZIWBQ-ZDUSSCGKSA-N 1 0 383.286 2.654 20 0 GFADRO COCC(COC)[NH+]1CCN(c2ccc3cc(Br)ccc3n2)CC1 ZINC000413475138 563694028 /nfs/dbraw/zinc/69/40/28/563694028.db2.gz NOICJOYGLHFRGX-UHFFFAOYSA-N 1 0 394.313 2.781 20 0 GFADRO O=C(c1csc(-c2ccc(Cl)cc2)n1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000290031194 563695168 /nfs/dbraw/zinc/69/51/68/563695168.db2.gz UCXDWZBRPCKDMW-OAHLLOKOSA-N 1 0 376.913 2.583 20 0 GFADRO O=S1(=O)CCC[C@H](C[NH2+]Cc2nc(-c3cccc(Br)c3)c[nH]2)C1 ZINC000290217532 563701316 /nfs/dbraw/zinc/70/13/16/563701316.db2.gz WSKAKAQJAPGNLQ-GFCCVEGCSA-N 1 0 398.326 2.754 20 0 GFADRO COc1cc(C(=O)N2CC[C@H]3CC[N@H+](C)[C@H]3C2)cc(OC)c1Br ZINC000361907985 563702261 /nfs/dbraw/zinc/70/22/61/563702261.db2.gz MTIDFIZNIKPSQP-YPMHNXCESA-N 1 0 383.286 2.633 20 0 GFADRO O=C(C[C@@H]1CCC[NH2+]1)N1CCC[C@@H]1C(=O)Nc1ccc(Br)cc1 ZINC000361969321 563702335 /nfs/dbraw/zinc/70/23/35/563702335.db2.gz XRRFLBHDWYHULQ-LSDHHAIUSA-N 1 0 380.286 2.521 20 0 GFADRO CC(C)[N@H+](C)C[C@@H](C)NC(=O)C(=O)Nc1cc(F)c(Br)cc1F ZINC000290242897 563702478 /nfs/dbraw/zinc/70/24/78/563702478.db2.gz AOJHMJWECBDOQE-SECBINFHSA-N 1 0 392.244 2.511 20 0 GFADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccn(-c4cccc(Br)c4)n3)C[C@H]21 ZINC000362290421 563705482 /nfs/dbraw/zinc/70/54/82/563705482.db2.gz ROOCBBCHHZWIFI-CXAGYDPISA-N 1 0 389.297 2.801 20 0 GFADRO O=C(N[C@H](CO)C[NH+]1CCCCC1)c1c(Cl)cc(F)cc1Br ZINC000413804483 563706711 /nfs/dbraw/zinc/70/67/11/563706711.db2.gz YRXYGVNYHBCNTK-NSHDSACASA-N 1 0 393.684 2.818 20 0 GFADRO C[NH+](C)C[C@@H]1CCN(Cc2c(Br)cncc2Br)C1 ZINC000290454237 563710063 /nfs/dbraw/zinc/71/00/63/563710063.db2.gz OWWVNYOCXDJMSK-JTQLQIEISA-N 1 0 377.124 2.990 20 0 GFADRO Cc1cccc(NC(=O)C(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)c1Br ZINC000438763806 563710149 /nfs/dbraw/zinc/71/01/49/563710149.db2.gz IOXGSWKDUVJCSS-CYBMUJFWSA-N 1 0 396.329 2.885 20 0 GFADRO O=C([C@@H]1CC[N@@H+](Cc2cc(Br)c3c(c2)OCCO3)C1)N1CCCC1 ZINC000290483155 563710991 /nfs/dbraw/zinc/71/09/91/563710991.db2.gz ODXNRXNUKIVDMQ-CQSZACIVSA-N 1 0 395.297 2.665 20 0 GFADRO Brc1ccn2cc(C[N@@H+]3CCC[C@H](Cn4ccnn4)C3)nc2c1 ZINC000290512930 563712590 /nfs/dbraw/zinc/71/25/90/563712590.db2.gz UACJMQBXIULXIS-ZDUSSCGKSA-N 1 0 375.274 2.601 20 0 GFADRO OCC[N@H+](C[C@@H](O)COc1ccccc1C(F)(F)F)[C@H]1CCCSC1 ZINC000439013087 563715356 /nfs/dbraw/zinc/71/53/56/563715356.db2.gz ZYAUYPMKKPZNAT-UONOGXRCSA-N 1 0 379.444 2.635 20 0 GFADRO CSC[C@H](CCO)NC(=O)NC[C@@H]1CC[N@H+](C)[C@@H]1c1cccc(Cl)c1 ZINC000363251926 563717374 /nfs/dbraw/zinc/71/73/74/563717374.db2.gz MBSATGYJEFNJKL-BHYGNILZSA-N 1 0 385.961 2.746 20 0 GFADRO COc1ccc(C[C@@H](C)[NH2+]CCNC(=O)c2cccc(Br)c2)cn1 ZINC000414100506 563719622 /nfs/dbraw/zinc/71/96/22/563719622.db2.gz RNJXLKMBUMJEID-CYBMUJFWSA-N 1 0 392.297 2.803 20 0 GFADRO Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)N1CC[C@H]([NH+]2CCCC2)[C@H]1C ZINC000290772305 563720473 /nfs/dbraw/zinc/72/04/73/563720473.db2.gz CEKPEZDJTWDSJM-PWSUYJOCSA-N 1 0 378.826 2.949 20 0 GFADRO O=C(CC[NH+]1CCC(c2nnc[nH]2)CC1)Nc1ccc(Br)cc1F ZINC000363365934 563720554 /nfs/dbraw/zinc/72/05/54/563720554.db2.gz VDMKUPCQWDDHOX-UHFFFAOYSA-N 1 0 396.264 2.915 20 0 GFADRO C[C@@H](C(=O)Nc1nc2ccccc2s1)N1CC[NH+]([C@H]2CCSC2)CC1 ZINC000363363670 563720635 /nfs/dbraw/zinc/72/06/35/563720635.db2.gz CCXPQWHTQOVAND-KBPBESRZSA-N 1 0 376.551 2.746 20 0 GFADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]Cc1cccc(N2CCC2=O)c1 ZINC000414156920 563721052 /nfs/dbraw/zinc/72/10/52/563721052.db2.gz VPWLSTRVBSZFPJ-CYBMUJFWSA-N 1 0 390.281 2.526 20 0 GFADRO Brc1cncc(Br)c1C[NH2+]CCCO[C@H]1CCOC1 ZINC000290810923 563721906 /nfs/dbraw/zinc/72/19/06/563721906.db2.gz GDBVQJJGNKCFPS-JTQLQIEISA-N 1 0 394.107 2.892 20 0 GFADRO C[C@@H]([NH2+]C[C@H](O)Cn1ccnn1)c1ccc(Br)cc1C(F)(F)F ZINC000414184717 563721985 /nfs/dbraw/zinc/72/19/85/563721985.db2.gz OFBDFQKPWKYYFA-KOLCDFICSA-N 1 0 393.207 2.771 20 0 GFADRO CC(C)(C)[NH2+]CCNC(=O)[C@H]1CCCN1C(=O)c1ccc(Br)cc1 ZINC000363482974 563723819 /nfs/dbraw/zinc/72/38/19/563723819.db2.gz CQOBFPQMGBGNHO-OAHLLOKOSA-N 1 0 396.329 2.558 20 0 GFADRO Cc1ccc([C@H](C[NH2+]Cc2ccc(S(N)(=O)=O)c(Cl)c2)N(C)C)cc1 ZINC000414305218 563725200 /nfs/dbraw/zinc/72/52/00/563725200.db2.gz PSWJTSQDRMDQOP-KRWDZBQOSA-N 1 0 381.929 2.688 20 0 GFADRO CCOc1cccc(C[NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)c1 ZINC000414305773 563725239 /nfs/dbraw/zinc/72/52/39/563725239.db2.gz GAJQVZPTZXVDMB-UHFFFAOYSA-N 1 0 399.310 2.785 20 0 GFADRO CC[N@H+](C)C[C@H]1CCN(C[C@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000439444052 563725368 /nfs/dbraw/zinc/72/53/68/563725368.db2.gz BMFLSDIYQWAJFP-CJNGLKHVSA-N 1 0 389.309 2.602 20 0 GFADRO CSCCC[N@H+](C)CC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000439476342 563726684 /nfs/dbraw/zinc/72/66/84/563726684.db2.gz GUVQYAANEUJLFC-UHFFFAOYSA-N 1 0 391.368 2.722 20 0 GFADRO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNCc2ccc(S(N)(=O)=O)c(Cl)c2)C1 ZINC000414329092 563726933 /nfs/dbraw/zinc/72/69/33/563726933.db2.gz ZIVFKCKPNXQWCT-KBPBESRZSA-N 1 0 387.977 2.834 20 0 GFADRO COC1CCN(C2(C[NH2+]Cc3ccc(S(C)(=O)=O)s3)CCCC2)CC1 ZINC000414327112 563726973 /nfs/dbraw/zinc/72/69/73/563726973.db2.gz BGSPBVJPSTWBLQ-UHFFFAOYSA-N 1 0 386.583 2.665 20 0 GFADRO NC(=O)c1cn(CCCC[NH2+][C@@H]2CCCc3c(Br)cccc32)nn1 ZINC000414352607 563728623 /nfs/dbraw/zinc/72/86/23/563728623.db2.gz PWAVVFDLEZTTMO-OAHLLOKOSA-N 1 0 392.301 2.587 20 0 GFADRO Cc1ccc(CC(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)cc1Br ZINC000363685385 563729857 /nfs/dbraw/zinc/72/98/57/563729857.db2.gz GTQRVENPXSHRHD-MRXNPFEDSA-N 1 0 394.357 2.585 20 0 GFADRO C[C@@H]1CN(C[C@@H](O)C[NH2+]C2(c3cccc(Br)c3)CCC2)C[C@@H](C)O1 ZINC000439731948 563731308 /nfs/dbraw/zinc/73/13/08/563731308.db2.gz KULJPHCAQOSVPB-RKVPGOIHSA-N 1 0 397.357 2.888 20 0 GFADRO COCC[N@H+](C)CCCC1CCN(Cc2ccc(S(C)(=O)=O)s2)CC1 ZINC000414394258 563732972 /nfs/dbraw/zinc/73/29/72/563732972.db2.gz FMAVHXLRKZBNHE-UHFFFAOYSA-N 1 0 388.599 2.722 20 0 GFADRO Cc1cc(Br)ccc1C(=O)N1CCC([NH2+]C[C@@H](O)C(C)C)CC1 ZINC000363910268 563736057 /nfs/dbraw/zinc/73/60/57/563736057.db2.gz QSLCJSHGHKXBAI-QGZVFWFLSA-N 1 0 383.330 2.969 20 0 GFADRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NS(=O)(=O)Cc1ccc(Br)cc1 ZINC000440104299 563736204 /nfs/dbraw/zinc/73/62/04/563736204.db2.gz XCTFOKCNRVKVQV-ZIAGYGMSSA-N 1 0 389.359 2.989 20 0 GFADRO Cc1nn(C)c(CN[C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)c1Br ZINC000363944604 563737431 /nfs/dbraw/zinc/73/74/31/563737431.db2.gz HZCOSBCUSBHAOJ-XJKSGUPXSA-N 1 0 392.345 2.886 20 0 GFADRO O=C(NCc1cc(F)cc(Br)c1)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000363984566 563739404 /nfs/dbraw/zinc/73/94/04/563739404.db2.gz UMHJEGSMHDRWOV-AWEZNQCLSA-N 1 0 381.249 2.639 20 0 GFADRO Cc1cc(Br)cc(C)c1S(=O)(=O)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000440350545 563739869 /nfs/dbraw/zinc/73/98/69/563739869.db2.gz PNRLESQSWAZOBM-OLZOCXBDSA-N 1 0 375.332 2.732 20 0 GFADRO COC(=O)c1csc(S(=O)(=O)NC[C@@H]([NH3+])c2ccc(C(C)C)cc2)c1 ZINC000440356427 563740145 /nfs/dbraw/zinc/74/01/45/563740145.db2.gz OBZDIYQYLCKFCQ-OAHLLOKOSA-N 1 0 382.507 2.636 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cc(Br)c2c(c1)OCCO2 ZINC000364044706 563740807 /nfs/dbraw/zinc/74/08/07/563740807.db2.gz YRTCTBFSGCKWKZ-CHWSQXEVSA-N 1 0 381.270 2.577 20 0 GFADRO CC(C)(C)O[C@@H]1C[C@H]([NH2+]Cc2ccc(S(C)(=O)=O)s2)[C@H]1n1cccn1 ZINC000414463443 563741102 /nfs/dbraw/zinc/74/11/02/563741102.db2.gz RPGVTPYCLPWYEX-SQWLQELKSA-N 1 0 383.539 2.635 20 0 GFADRO COc1ccc(S(=O)(=O)NCc2ccc([C@@H](C)[NH3+])cc2)cc1Br ZINC000440423745 563741564 /nfs/dbraw/zinc/74/15/64/563741564.db2.gz VSHFRWCIGZZTKA-LLVKDONJSA-N 1 0 399.310 2.956 20 0 GFADRO O=C(CN1CCC[C@@H]1C[N@H+]1CCC[C@H]1CO)Nc1ccc(Cl)cc1Cl ZINC000364052056 563741732 /nfs/dbraw/zinc/74/17/32/563741732.db2.gz CYSYUFZUEYRROS-CABCVRRESA-N 1 0 386.323 2.853 20 0 GFADRO CC[NH2+]CC1CCN(S(=O)(=O)c2sc(C)cc2Br)CC1 ZINC000440441036 563742265 /nfs/dbraw/zinc/74/22/65/563742265.db2.gz NAZFJZNPWPUJGN-UHFFFAOYSA-N 1 0 381.361 2.829 20 0 GFADRO COc1ccc(Br)cc1S(=O)(=O)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000440430991 563742302 /nfs/dbraw/zinc/74/23/02/563742302.db2.gz VSGALVBPBGMRFE-LLVKDONJSA-N 1 0 399.310 2.956 20 0 GFADRO Cc1c(S(=O)(=O)N2CCC[C@H](C)[C@@H]2C[NH3+])cnn1-c1ccc(Cl)cc1 ZINC000440441747 563742497 /nfs/dbraw/zinc/74/24/97/563742497.db2.gz OMIPLFUIKJMNON-LRDDRELGSA-N 1 0 382.917 2.582 20 0 GFADRO COCCCNC(=O)C[NH+]1CCC(C)(c2ccc(Br)cc2)CC1 ZINC000440493922 563742965 /nfs/dbraw/zinc/74/29/65/563742965.db2.gz YUARICHZGLEODA-UHFFFAOYSA-N 1 0 383.330 2.955 20 0 GFADRO COC(=O)c1cc(Br)cc(C(=O)N2CC[C@H]([NH+]3CCCC3)[C@H]2C)c1 ZINC000291434482 563743275 /nfs/dbraw/zinc/74/32/75/563743275.db2.gz JVWMYACVAWMEHP-WBMJQRKESA-N 1 0 395.297 2.935 20 0 GFADRO O=C([C@@H]1C[C@@H]1c1ccc(Br)cc1)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000364110663 563743426 /nfs/dbraw/zinc/74/34/26/563743426.db2.gz JNQLTBHCTMXPKJ-ZJPYXAASSA-N 1 0 393.325 2.610 20 0 GFADRO CCOCCOc1ccc(Br)cc1C[N@@H+]1CC[C@H](C(=O)N(C)C)C1 ZINC000414494969 563744094 /nfs/dbraw/zinc/74/40/94/563744094.db2.gz GFHZRNNTHZVUDE-AWEZNQCLSA-N 1 0 399.329 2.775 20 0 GFADRO COC[C@](C)(CC(=O)OC)[NH2+]CC[S@@](=O)c1cc(Cl)ccc1Cl ZINC000440549392 563744636 /nfs/dbraw/zinc/74/46/36/563744636.db2.gz HCLHMLCOEOBEBV-NPMXOYFQSA-N 1 0 382.309 2.659 20 0 GFADRO CS(=O)(=O)c1cc(C(=O)N2CC[C@@]3(CCC[C@@H]3[NH3+])C2)c(Cl)cc1Cl ZINC000364196625 563745999 /nfs/dbraw/zinc/74/59/99/563745999.db2.gz RBRWRNCIOZGART-HOCLYGCPSA-N 1 0 391.320 2.740 20 0 GFADRO C[NH2+][C@@H]1CCN(S(=O)(=O)c2ccc(Br)c(Cl)c2Cl)C1 ZINC000440742348 563748856 /nfs/dbraw/zinc/74/88/56/563748856.db2.gz TZJHXZYIHWKVLV-SSDOTTSWSA-N 1 0 388.114 2.738 20 0 GFADRO O=S(=O)(c1cccc(Cl)c1Br)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000440761901 563749623 /nfs/dbraw/zinc/74/96/23/563749623.db2.gz PYUFEEAEFANXPE-JTQLQIEISA-N 1 0 379.707 2.618 20 0 GFADRO CC[NH2+]Cc1cccc(NC(=O)C(=O)N(C)Cc2ccc(Br)o2)c1 ZINC000414731939 563750838 /nfs/dbraw/zinc/75/08/38/563750838.db2.gz UAGXDMRGQNJSOL-UHFFFAOYSA-N 1 0 394.269 2.749 20 0 GFADRO CCN(CC)S(=O)(=O)c1cc(NC(=O)N[C@H](C)CCC[NH3+])ccc1Cl ZINC000414717789 563751134 /nfs/dbraw/zinc/75/11/34/563751134.db2.gz QHMVKSIVAABSBI-GFCCVEGCSA-N 1 0 390.937 2.619 20 0 GFADRO O=S(=O)(c1csc(-c2ccccc2)n1)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000440847793 563751867 /nfs/dbraw/zinc/75/18/67/563751867.db2.gz WPFVZYQARGJQIF-INIZCTEOSA-N 1 0 377.535 2.963 20 0 GFADRO CC(C)C[C@@H]([NH3+])CN1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC000414741619 563751942 /nfs/dbraw/zinc/75/19/42/563751942.db2.gz SGIOUQIXRAPYDX-CYBMUJFWSA-N 1 0 394.368 2.673 20 0 GFADRO [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NS(=O)(=O)c1ccc(Br)cc1F ZINC000440848680 563752585 /nfs/dbraw/zinc/75/25/85/563752585.db2.gz PUIZHSGGEQWIPK-BTOWRCTQSA-N 1 0 391.306 2.773 20 0 GFADRO CC[NH2+]Cc1cccc(NC(=O)C(=O)NCc2sccc2Br)c1 ZINC000414771429 563752840 /nfs/dbraw/zinc/75/28/40/563752840.db2.gz QWRLAGDYHYWAEC-UHFFFAOYSA-N 1 0 396.310 2.875 20 0 GFADRO CCS(=O)(=O)c1c(Cl)cccc1CNCCC[NH2+]Cc1cccnc1 ZINC000414873784 563753300 /nfs/dbraw/zinc/75/33/00/563753300.db2.gz HBPBDHPDFXQVRK-UHFFFAOYSA-N 1 0 381.929 2.798 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000440938069 563754060 /nfs/dbraw/zinc/75/40/60/563754060.db2.gz RYAKBZJSYBLCAC-UHFFFAOYSA-N 1 0 383.334 2.905 20 0 GFADRO OC[C@H](C[NH2+]Cc1c[nH]c2nccnc12)Cc1ccccc1Br ZINC000291692021 563754433 /nfs/dbraw/zinc/75/44/33/563754433.db2.gz YFEIWWNRDUPVEN-LBPRGKRZSA-N 1 0 375.270 2.661 20 0 GFADRO COC[C@@]1(CN[C@@H](C)CC(=O)Nc2cccc(Br)c2)CCC[NH2+]1 ZINC000414939012 563754588 /nfs/dbraw/zinc/75/45/88/563754588.db2.gz FXOOJTILWLMGOU-GUYCJALGSA-N 1 0 384.318 2.524 20 0 GFADRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)Nc2cc(Br)ccc2N2CCOCC2)C1 ZINC000414933659 563754662 /nfs/dbraw/zinc/75/46/62/563754662.db2.gz UNCXKFJVOYTIFS-TZMCWYRMSA-N 1 0 397.317 2.535 20 0 GFADRO CN(Cc1ccc(OCc2ccccc2)c(Br)c1)C[C@@H](O)C[NH3+] ZINC000415070941 563757670 /nfs/dbraw/zinc/75/76/70/563757670.db2.gz RSZMIHHWCRGQIK-INIZCTEOSA-N 1 0 379.298 2.780 20 0 GFADRO CC(C)[C@@H]1C[C@@H]([NH2+]CCNS(=O)(=O)c2ccc(Cl)cc2F)CCO1 ZINC000441338537 563757874 /nfs/dbraw/zinc/75/78/74/563757874.db2.gz FVXNYALZQKAJSL-ZFWWWQNUSA-N 1 0 378.897 2.551 20 0 GFADRO C[C@@H]1CCNC(=O)[C@H]1[NH2+]Cc1ccc(OC(F)(F)F)c(Br)c1 ZINC000441333357 563758271 /nfs/dbraw/zinc/75/82/71/563758271.db2.gz SHAICYHONVILLB-PELKAZGASA-N 1 0 381.192 2.962 20 0 GFADRO CC(C)(O)C[N@@H+]1CCCN(C(=O)c2c[nH]nc2-c2ccc(Cl)s2)CC1 ZINC000364601037 563758313 /nfs/dbraw/zinc/75/83/13/563758313.db2.gz CKZXYBJJVVSSSH-UHFFFAOYSA-N 1 0 382.917 2.710 20 0 GFADRO O=C(Nc1ccc(CCn2cc(Br)cn2)cc1)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000364592373 563758700 /nfs/dbraw/zinc/75/87/00/563758700.db2.gz TZUDFIOEELSXSM-WMZOPIPTSA-N 1 0 389.297 2.826 20 0 GFADRO Cn1ccnc1[C@@H]1CCN(C(=O)NOCc2ccc(F)cc2Br)C1 ZINC000364596806 563758710 /nfs/dbraw/zinc/75/87/10/563758710.db2.gz ZWTACRJBJKDBDF-LLVKDONJSA-N 1 0 397.248 2.952 20 0 GFADRO CO[C@@H]1CC[N@H+](CC(=O)N(C)CCOc2ccc(Br)cc2)[C@@H](C)C1 ZINC000441366307 563759044 /nfs/dbraw/zinc/75/90/44/563759044.db2.gz NBLNWUDYKXXMME-WMLDXEAASA-N 1 0 399.329 2.786 20 0 GFADRO C[NH2+]C[C@H]1CCCN1C(=O)Nc1cc(F)c(I)c(F)c1 ZINC000415122600 563759670 /nfs/dbraw/zinc/75/96/70/563759670.db2.gz OKRGLWROPBQSCM-SECBINFHSA-N 1 0 395.191 2.785 20 0 GFADRO CN(C(=O)Nc1cc(F)c(I)c(F)c1)[C@@H](C[NH3+])C1CC1 ZINC000415123643 563760275 /nfs/dbraw/zinc/76/02/75/563760275.db2.gz PYLDZWZRJNUQQQ-NSHDSACASA-N 1 0 395.191 2.770 20 0 GFADRO [NH3+]Cc1cn([C@H]2CCCN(Cc3ccc(Cl)c(Br)c3)C2)nn1 ZINC000415124185 563760602 /nfs/dbraw/zinc/76/06/02/563760602.db2.gz JXXPTHCOURZJHQ-ZDUSSCGKSA-N 1 0 384.709 2.990 20 0 GFADRO CC[C@@H](CSC)N(C)C(=O)C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000415154984 563761191 /nfs/dbraw/zinc/76/11/91/563761191.db2.gz KRAYRNDOUCNDFY-ZDUSSCGKSA-N 1 0 377.432 2.703 20 0 GFADRO C[C@H]1CN(C(=O)Nc2cc(Br)ccc2-n2cccn2)CC[C@@H]1[NH3+] ZINC000415169027 563761601 /nfs/dbraw/zinc/76/16/01/563761601.db2.gz VRXLDMKVWNUDPL-AAEUAGOBSA-N 1 0 378.274 2.836 20 0 GFADRO CCO[C@@H](CC[NH+](C)C)CNS(=O)(=O)c1cc(C(F)(F)F)ccc1C ZINC000441552832 563762079 /nfs/dbraw/zinc/76/20/79/563762079.db2.gz ZSRWVNYSOWVLAA-AWEZNQCLSA-N 1 0 382.448 2.649 20 0 GFADRO CC1(C)CCC[NH2+][C@@H]1CNC(=O)Nc1ccc(NS(C)(=O)=O)c(Cl)c1 ZINC000415200121 563762167 /nfs/dbraw/zinc/76/21/67/563762167.db2.gz IIRFQMBEJZJTNI-CQSZACIVSA-N 1 0 388.921 2.611 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)C(=O)N1CCCC12CC[NH+](C)CC2 ZINC000364781972 563763879 /nfs/dbraw/zinc/76/38/79/563763879.db2.gz XCPCWVFVXMJBEI-UHFFFAOYSA-N 1 0 394.313 2.783 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)NCC2([NH3+])CCCCC2)cc1Br ZINC000415282177 563765582 /nfs/dbraw/zinc/76/55/82/563765582.db2.gz PFGJZRMQBPRIDB-UHFFFAOYSA-N 1 0 382.302 2.782 20 0 GFADRO [NH3+]C[C@H]1CCCN1C(=O)Nc1cccc(Oc2ncc(Br)cn2)c1 ZINC000415300613 563765890 /nfs/dbraw/zinc/76/58/90/563765890.db2.gz KLQABGLYUDMMHI-CYBMUJFWSA-N 1 0 392.257 2.986 20 0 GFADRO CCOc1cc(Br)ccc1NC(=O)NC[C@]1(COC)CCC[NH2+]1 ZINC000415305241 563765915 /nfs/dbraw/zinc/76/59/15/563765915.db2.gz VCUNMXKXDQEXSV-INIZCTEOSA-N 1 0 386.290 2.738 20 0 GFADRO COC(=O)c1ccc(S(=O)(=O)NCC[NH+]2[C@@H](C)CCC[C@@H]2C)cc1Cl ZINC000441952837 563766405 /nfs/dbraw/zinc/76/64/05/563766405.db2.gz GUMLVSAWOXJMMN-STQMWFEESA-N 1 0 388.917 2.668 20 0 GFADRO O=C([C@H]1CCC[NH2+]C1)N1CCC[C@@H]1c1ccccc1I ZINC000364884730 563767243 /nfs/dbraw/zinc/76/72/43/563767243.db2.gz DRZJOCFDUVPQJY-SWLSCSKDSA-N 1 0 384.261 2.954 20 0 GFADRO COC(=O)c1cc(Br)ccc1NC(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000415340150 563768119 /nfs/dbraw/zinc/76/81/19/563768119.db2.gz ZPKJELNVNHPNCY-MRXNPFEDSA-N 1 0 384.274 2.747 20 0 GFADRO CCOC(=O)c1c(NC(=O)N(C)[C@H](C[NH3+])C2CC2)sc2c1CCSC2 ZINC000415340479 563768248 /nfs/dbraw/zinc/76/82/48/563768248.db2.gz MVYWTBHWPUDFLV-GFCCVEGCSA-N 1 0 383.539 2.915 20 0 GFADRO C[C@H](CO)[N@@H+]1CCCN(Cc2ccc(Br)c3cccnc23)CC1 ZINC000364915147 563768657 /nfs/dbraw/zinc/76/86/57/563768657.db2.gz KOIBGNJKSBBXOD-CQSZACIVSA-N 1 0 378.314 2.886 20 0 GFADRO CCOC(=O)c1cc(Br)ccc1NC(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000415351367 563769577 /nfs/dbraw/zinc/76/95/77/563769577.db2.gz NXQHPJLTMFKZLT-CMPLNLGQSA-N 1 0 384.274 2.875 20 0 GFADRO [NH3+]C[C@H]1CC[C@H](NC(=O)Nc2cnn(-c3ccccc3Br)c2)C1 ZINC000415357895 563770041 /nfs/dbraw/zinc/77/00/41/563770041.db2.gz SLSSFDSDKBZWCW-RYUDHWBXSA-N 1 0 378.274 2.884 20 0 GFADRO C[C@H]1CCN(C(=O)Nc2cccc(F)c2I)C[C@H]1C[NH3+] ZINC000415365242 563771462 /nfs/dbraw/zinc/77/14/62/563771462.db2.gz UDYFXEPBLDJBCJ-VHSXEESVSA-N 1 0 391.228 2.879 20 0 GFADRO CC(C)Cc1nnc(NC(=O)CN2CCC(n3cc(Cl)cn3)CC2)s1 ZINC000365021500 563771718 /nfs/dbraw/zinc/77/17/18/563771718.db2.gz UKNXLSWYCJHITC-UHFFFAOYSA-N 1 0 382.921 2.862 20 0 GFADRO Cc1cc(F)c(NC(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)c(I)c1 ZINC000415391956 563772016 /nfs/dbraw/zinc/77/20/16/563772016.db2.gz MSNFTZVOHPOMOL-JOYOIKCWSA-N 1 0 391.228 2.858 20 0 GFADRO COC(=O)c1nc(NCC2CCN(Cc3csc(C)n3)CC2)sc1C ZINC000365031042 563772199 /nfs/dbraw/zinc/77/21/99/563772199.db2.gz VEAFTSYWSHPBAW-UHFFFAOYSA-N 1 0 380.539 3.327 20 0 GFADRO CCCN(C(=O)C(=O)Nc1cccc(Br)c1Cl)[C@H]1CC[NH2+]C1 ZINC000415395153 563772650 /nfs/dbraw/zinc/77/26/50/563772650.db2.gz RWXZUHKPRCVWLP-JTQLQIEISA-N 1 0 388.693 2.642 20 0 GFADRO C[NH2+][C@@H]1CCN(C(=O)Nc2c(F)cc(C)cc2I)C1 ZINC000415403105 563773024 /nfs/dbraw/zinc/77/30/24/563773024.db2.gz LBIOTGJYLPHLKG-SECBINFHSA-N 1 0 377.201 2.564 20 0 GFADRO COc1cc(Br)cc(NC(=O)N2C[C@@H](C[NH3+])C3(C2)CCOCC3)c1 ZINC000415402427 563773034 /nfs/dbraw/zinc/77/30/34/563773034.db2.gz VJGJZOFFKNFMJV-GFCCVEGCSA-N 1 0 398.301 2.677 20 0 GFADRO C[C@@H]([NH2+][C@@H](CO)c1ccc(Br)cc1)C(=O)NCc1ccccc1 ZINC000292087967 563773383 /nfs/dbraw/zinc/77/33/83/563773383.db2.gz FELZMLGBKXWHBF-DYVFJYSZSA-N 1 0 377.282 2.777 20 0 GFADRO COCCOc1ccc(Br)cc1NC(=O)N[C@H]1CC[NH2+]C1(C)C ZINC000415420414 563774287 /nfs/dbraw/zinc/77/42/87/563774287.db2.gz ACNOINIIHRBEAM-AWEZNQCLSA-N 1 0 386.290 2.736 20 0 GFADRO Cc1cc(Br)cc(NC(=O)C(=O)N[C@@H](C[NH3+])C2CCCCC2)c1 ZINC000415425016 563774387 /nfs/dbraw/zinc/77/43/87/563774387.db2.gz KBXBJQWVQGFVQJ-HNNXBMFYSA-N 1 0 382.302 2.720 20 0 GFADRO C[C@H]1CCN(C(=O)Nc2ccc(S(C)(=O)=O)c(C(F)F)c2)[C@@H](C[NH3+])C1 ZINC000415425149 563774428 /nfs/dbraw/zinc/77/44/28/563774428.db2.gz BYOYAQPQOMGUPL-CMPLNLGQSA-N 1 0 375.441 2.619 20 0 GFADRO CC(=O)N[C@H](CC(=O)N1CCC[C@H](CC[NH3+])C1)c1ccc(Br)cc1 ZINC000442607560 563774957 /nfs/dbraw/zinc/77/49/57/563774957.db2.gz SLOQQJIAXMLAMK-RHSMWYFYSA-N 1 0 396.329 2.604 20 0 GFADRO [NH3+]C[C@@H](NC(=O)C(=O)Nc1cc(Br)ccc1F)C1CCCCC1 ZINC000415429938 563775002 /nfs/dbraw/zinc/77/50/02/563775002.db2.gz SCIXAWZZHHYKMI-CQSZACIVSA-N 1 0 386.265 2.551 20 0 GFADRO COCCOc1ccc(Br)cc1NC(=O)NC1CCC([NH3+])CC1 ZINC000415426368 563775034 /nfs/dbraw/zinc/77/50/34/563775034.db2.gz NCSYSYKLRFBERC-UHFFFAOYSA-N 1 0 386.290 2.866 20 0 GFADRO CCCC[N@H+](C)C[C@H](C)NC(=O)N[C@H]1C[C@H](C)S(=O)(=O)c2sccc21 ZINC000292140013 563775291 /nfs/dbraw/zinc/77/52/91/563775291.db2.gz ONEDRHJXQBZWAR-YDHLFZDLSA-N 1 0 387.571 2.775 20 0 GFADRO C[C@H]1CN(C(=O)C(=O)Nc2ccc(-c3ccc(Cl)s3)nc2)CC[C@@H]1[NH3+] ZINC000415434165 563775644 /nfs/dbraw/zinc/77/56/44/563775644.db2.gz AWBNHKDVZXLBEU-JQWIXIFHSA-N 1 0 378.885 2.598 20 0 GFADRO CS(=O)(=O)c1ccc(NC(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)cc1C(F)F ZINC000415438727 563775727 /nfs/dbraw/zinc/77/57/27/563775727.db2.gz QAVQVLCTCBLKAI-WDEREUQCSA-N 1 0 375.441 2.667 20 0 GFADRO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)Nc1cc(F)ccc1SCC(F)F ZINC000415436242 563775764 /nfs/dbraw/zinc/77/57/64/563775764.db2.gz YEJBIWXGSDFMNT-NSHDSACASA-N 1 0 377.432 2.611 20 0 GFADRO Cc1nc(NC(=O)C(=O)NCC[NH2+]C2CCCCCC2)ccc1Br ZINC000415447323 563776183 /nfs/dbraw/zinc/77/61/83/563776183.db2.gz ISPVWURRXRVPSU-UHFFFAOYSA-N 1 0 397.317 2.520 20 0 GFADRO O=C(Nc1ccc(F)cc1Br)C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000415451673 563776540 /nfs/dbraw/zinc/77/65/40/563776540.db2.gz NHSOSLFRFDQPTG-UHFFFAOYSA-N 1 0 398.276 2.517 20 0 GFADRO C[C@H]1CN(c2ncc(Br)cc2Cl)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000365195260 563777161 /nfs/dbraw/zinc/77/71/61/563777161.db2.gz ZUHCPGQFWKCXAA-WFASDCNBSA-N 1 0 387.753 2.960 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)CC[C@H]1CCC[NH2+]1 ZINC000292174305 563777184 /nfs/dbraw/zinc/77/71/84/563777184.db2.gz WIHIRAUQUKCULU-CQSZACIVSA-N 1 0 382.302 2.735 20 0 GFADRO CCC([NH3+])(CC)CNC(=O)C(=O)Nc1cc(F)c(Br)cc1Cl ZINC000415473271 563777527 /nfs/dbraw/zinc/77/75/27/563777527.db2.gz CWNIPTKGGFVQLU-UHFFFAOYSA-N 1 0 394.672 2.814 20 0 GFADRO CCCC[N@@H+]1CCCC[C@@H]1CNS(=O)(=O)c1c(C)csc1C(=O)OC ZINC000442740003 563777563 /nfs/dbraw/zinc/77/75/63/563777563.db2.gz KWFIMQUCWVFIHX-CQSZACIVSA-N 1 0 388.555 2.776 20 0 GFADRO COC(=O)c1cc(Br)c(F)cc1NC(=O)N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000415472911 563777595 /nfs/dbraw/zinc/77/75/95/563777595.db2.gz ZTFQBCXVIWMQLG-PELKAZGASA-N 1 0 388.237 2.576 20 0 GFADRO O=C(Cc1ccc(I)cc1)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000365210544 563777662 /nfs/dbraw/zinc/77/76/62/563777662.db2.gz NLYYJMABCUUGRI-GJZGRUSLSA-N 1 0 384.261 2.577 20 0 GFADRO Cc1ccc(F)c(Br)c1NC(=O)C(=O)N(C)CC[C@@H]([NH3+])C(C)C ZINC000415482342 563778253 /nfs/dbraw/zinc/77/82/53/563778253.db2.gz FCXOJMZLLCSFCX-GFCCVEGCSA-N 1 0 388.281 2.667 20 0 GFADRO [NH3+]C[C@H]1CCCC[C@H]1NC(=O)Nc1cc(Br)cnc1-n1cccn1 ZINC000415489895 563778913 /nfs/dbraw/zinc/77/89/13/563778913.db2.gz UYCDSMQYYCFMGG-DGCLKSJQSA-N 1 0 393.289 2.669 20 0 GFADRO CN(CC(C)(C)C[NH3+])C(=O)C(=O)Nc1cc(F)c(Br)cc1Cl ZINC000415491115 563779077 /nfs/dbraw/zinc/77/90/77/563779077.db2.gz ZBRUODCKHYJRHD-UHFFFAOYSA-N 1 0 394.672 2.623 20 0 GFADRO C[N@@H+]1CC[C@@H](CNC(=O)Nc2nnc(C(F)(F)F)s2)[C@H]1c1cccs1 ZINC000365278369 563779321 /nfs/dbraw/zinc/77/93/21/563779321.db2.gz KTHSVTPOODLVAA-WPRPVWTQSA-N 1 0 391.444 3.433 20 0 GFADRO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)Nc1ccc(Cl)c(Br)c1 ZINC000415496183 563779865 /nfs/dbraw/zinc/77/98/65/563779865.db2.gz GMKIDSMRCSSSSZ-CYBMUJFWSA-N 1 0 390.709 2.873 20 0 GFADRO C[NH+](C)[C@H]1CCCN(C(=O)c2cc(S(C)(=O)=O)c(Cl)cc2Cl)CC1 ZINC000365296458 563780064 /nfs/dbraw/zinc/78/00/64/563780064.db2.gz ODHMMJGJSMLWIT-NSHDSACASA-N 1 0 393.336 2.953 20 0 GFADRO CCOc1c(Cl)cc(NC(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)cc1Cl ZINC000415505763 563780295 /nfs/dbraw/zinc/78/02/95/563780295.db2.gz QMWXHUDLNULJIH-CYBMUJFWSA-N 1 0 387.311 2.904 20 0 GFADRO C[NH2+][C@H]1CCCN(C(=O)Nc2ccnn2Cc2cccc(Br)c2)C1 ZINC000415518542 563780911 /nfs/dbraw/zinc/78/09/11/563780911.db2.gz BFMLCLZKGMTOHK-HNNXBMFYSA-N 1 0 392.301 2.910 20 0 GFADRO Cn1nc(Br)cc1C(=O)N[C@@H]1c2ccccc2CC[C@@H]1[NH+](C)C ZINC000365384926 563781746 /nfs/dbraw/zinc/78/17/46/563781746.db2.gz LQTSFILHGUZYIY-XJKSGUPXSA-N 1 0 377.286 2.530 20 0 GFADRO C[NH2+]C[C@H]1CCCN1C(=O)Nc1ccnn1Cc1ccc(Br)cc1 ZINC000415534552 563783121 /nfs/dbraw/zinc/78/31/21/563783121.db2.gz VITVFPAJHHEWLO-OAHLLOKOSA-N 1 0 392.301 2.910 20 0 GFADRO [NH3+][C@@H](CNC(=O)C(=O)Nc1cc(Cl)ccc1SCC(F)(F)F)C1CC1 ZINC000415539704 563783737 /nfs/dbraw/zinc/78/37/37/563783737.db2.gz VNPHGPYAHYPPIY-JTQLQIEISA-N 1 0 395.834 2.786 20 0 GFADRO Cc1cc(NC(=O)C(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc(C)c1Br ZINC000415545551 563783923 /nfs/dbraw/zinc/78/39/23/563783923.db2.gz WIENVISZQVIJAU-NNQSOWQGSA-N 1 0 394.313 2.746 20 0 GFADRO C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)Nc1cc(Br)c(F)cc1F ZINC000415548379 563783956 /nfs/dbraw/zinc/78/39/56/563783956.db2.gz ACWVSNOPHLCDDK-JMCQJSRRSA-N 1 0 378.217 2.962 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000415564223 563784348 /nfs/dbraw/zinc/78/43/48/563784348.db2.gz CCBZPTNPKQLJKI-QGZVFWFLSA-N 1 0 382.302 2.510 20 0 GFADRO O=C(NCCCN1CC[NH2+]CC1)Nc1cccnc1-c1ccc(Cl)s1 ZINC000415564693 563784689 /nfs/dbraw/zinc/78/46/89/563784689.db2.gz HZDHHPGKCWSQMR-UHFFFAOYSA-N 1 0 379.917 2.880 20 0 GFADRO Cc1csc(Sc2ccc(NC(=O)C(=O)NCCCC[NH3+])c(C)c2)n1 ZINC000415577014 563785299 /nfs/dbraw/zinc/78/52/99/563785299.db2.gz YXQQGMRCSPROAR-UHFFFAOYSA-N 1 0 378.523 2.705 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)Nc2ccc(Br)c3ccccc23)C1 ZINC000415585861 563785782 /nfs/dbraw/zinc/78/57/82/563785782.db2.gz XSAAWNIRXLZSEF-NWDGAFQWSA-N 1 0 390.281 2.737 20 0 GFADRO COc1ccc(NC(=O)NC2(C)CC[NH2+]CC2)c(I)c1 ZINC000415590532 563785895 /nfs/dbraw/zinc/78/58/95/563785895.db2.gz AUGTWFFBXMJYHM-UHFFFAOYSA-N 1 0 389.237 2.563 20 0 GFADRO COC[C@@]1(CNC(=O)Nc2cccc(Cl)c2Br)CCC[NH2+]1 ZINC000415593896 563786442 /nfs/dbraw/zinc/78/64/42/563786442.db2.gz PAXHFAJKVXBTFF-AWEZNQCLSA-N 1 0 376.682 2.993 20 0 GFADRO COc1ccc(NC(=O)N2CC[C@H]([NH3+])[C@H](C)C2)c(I)c1 ZINC000415600580 563786800 /nfs/dbraw/zinc/78/68/00/563786800.db2.gz TVTMJFFURHECIN-SKDRFNHKSA-N 1 0 389.237 2.501 20 0 GFADRO COC(=O)c1cccc(NC(=O)N2CCC[C@]3(CC[NH2+]C3)C2)c1Br ZINC000415616129 563788197 /nfs/dbraw/zinc/78/81/97/563788197.db2.gz SILJSUJCCWWVOT-QGZVFWFLSA-N 1 0 396.285 2.843 20 0 GFADRO COC(=O)c1cc(NC(=O)N2CC[C@@H]([C@@H](C)[NH3+])C2)cc(Br)c1F ZINC000415619331 563788246 /nfs/dbraw/zinc/78/82/46/563788246.db2.gz YOMAOEWVOZLLHV-RKDXNWHRSA-N 1 0 388.237 2.576 20 0 GFADRO O=C(Nc1cc(Cl)ccc1C(F)(F)F)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000415610055 563788346 /nfs/dbraw/zinc/78/83/46/563788346.db2.gz WOAYKXJVQRYZDU-HNNXBMFYSA-N 1 0 375.778 2.509 20 0 GFADRO COC(=O)c1cccc(NC(=O)NCCC[C@@H]2CCC[NH2+]2)c1Br ZINC000415615673 563788349 /nfs/dbraw/zinc/78/83/49/563788349.db2.gz RMYPEJVVBJNQQH-NSHDSACASA-N 1 0 384.274 2.889 20 0 GFADRO C[C@H]([NH2+]Cc1cccc(S(=O)(=O)N(C)C)c1)[C@@H]1OCCc2sccc21 ZINC000292495790 563789085 /nfs/dbraw/zinc/78/90/85/563789085.db2.gz UDHCHTDKGPOKJS-UGSOOPFHSA-N 1 0 380.535 2.791 20 0 GFADRO CC(C)(CCC[NH3+])NC(=O)Nc1ccnn1-c1ccc(Br)cn1 ZINC000415636480 563789365 /nfs/dbraw/zinc/78/93/65/563789365.db2.gz LEIMITBEMBPDSY-UHFFFAOYSA-N 1 0 381.278 2.669 20 0 GFADRO [NH3+][C@@H](CNC(=O)Nc1cc(Br)cc(C(=O)N2CCCC2)c1)C1CC1 ZINC000415636417 563789491 /nfs/dbraw/zinc/78/94/91/563789491.db2.gz LAIFMIOKRTZSHV-HNNXBMFYSA-N 1 0 395.301 2.544 20 0 GFADRO C[C@@H](CCC[NH3+])NC(=O)Nc1ccc(-c2ccc(Br)s2)nn1 ZINC000415640518 563789999 /nfs/dbraw/zinc/78/99/99/563789999.db2.gz VPNQCIZBFGAXQE-VIFPVBQESA-N 1 0 384.303 3.217 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)Nc2cc(C(F)(F)F)ccc2Br)CCO1 ZINC000415645586 563790026 /nfs/dbraw/zinc/79/00/26/563790026.db2.gz BYTRYWKWKVLVKC-VIFPVBQESA-N 1 0 382.180 2.659 20 0 GFADRO Cc1ccc(Br)c(NC(=O)C(=O)NC[C@H]2[NH2+]CCCC2(C)C)c1 ZINC000415676660 563791296 /nfs/dbraw/zinc/79/12/96/563791296.db2.gz NEFGZYOWZSCKCE-CQSZACIVSA-N 1 0 382.302 2.590 20 0 GFADRO COC(=O)c1cc(NC(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)c(C)cc1Br ZINC000415707095 563791911 /nfs/dbraw/zinc/79/19/11/563791911.db2.gz LWOIBMKBZDNOCR-SMDDNHRTSA-N 1 0 396.285 2.760 20 0 GFADRO COC(=O)c1cc(NC(=O)N[C@](C)(C[NH3+])C2CC2)c(C)cc1Br ZINC000415701271 563791951 /nfs/dbraw/zinc/79/19/51/563791951.db2.gz BBTJOKPXXPAXMT-MRXNPFEDSA-N 1 0 384.274 2.793 20 0 GFADRO CC(C)Sc1ccc(Cl)cc1NC(=O)C(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000415749491 563793937 /nfs/dbraw/zinc/79/39/37/563793937.db2.gz QYZJSHHLBNNCAR-STQMWFEESA-N 1 0 381.929 2.847 20 0 GFADRO CC(C)(CCC[NH3+])NC(=O)C(=O)Nc1ccc(Cl)cc1OCC(F)F ZINC000415752677 563794376 /nfs/dbraw/zinc/79/43/76/563794376.db2.gz BFDZJGGAGSJRSI-UHFFFAOYSA-N 1 0 377.819 2.556 20 0 GFADRO C[NH2+][C@H]1CCN(C(=O)Nc2cc(Cl)ccc2I)C1 ZINC000415753762 563794703 /nfs/dbraw/zinc/79/47/03/563794703.db2.gz GTQQYSIJCACSRY-VIFPVBQESA-N 1 0 379.629 2.770 20 0 GFADRO C[C@@H](CCC[NH3+])NC(=O)C(=O)Nc1ccc(Br)c(Cl)c1Cl ZINC000415770237 563795621 /nfs/dbraw/zinc/79/56/21/563795621.db2.gz BBPQXGZALLNZOA-ZETCQYMHSA-N 1 0 397.100 2.938 20 0 GFADRO O=C(c1ccc(Cl)c(I)c1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000292834078 563796452 /nfs/dbraw/zinc/79/64/52/563796452.db2.gz BPXHRZQIRNCMTG-ZWNOBZJWSA-N 1 0 390.652 2.769 20 0 GFADRO Brc1ccc(C[C@H]2CCN(Cc3nnc4n3CCOC4)C2)cc1 ZINC000292836404 563796692 /nfs/dbraw/zinc/79/66/92/563796692.db2.gz ZGLVWFZLEJIGAR-CQSZACIVSA-N 1 0 377.286 2.635 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)NCCC[C@H]2CCC[NH2+]2)c(Br)c1 ZINC000415798575 563796796 /nfs/dbraw/zinc/79/67/96/563796796.db2.gz BAFUTZQJEUASTF-CYBMUJFWSA-N 1 0 382.302 2.653 20 0 GFADRO Cc1nc(NC(=O)N(C)C[C@@H](O)C[NH3+])sc1Cc1ccc(Cl)cc1F ZINC000415801854 563797135 /nfs/dbraw/zinc/79/71/35/563797135.db2.gz FWHMEWXYEXEGDQ-LBPRGKRZSA-N 1 0 386.880 2.618 20 0 GFADRO O=C(NCCC[C@@H]1CCC[NH2+]1)C(=O)Nc1cc(Cl)cc(C(F)(F)F)c1 ZINC000415810363 563797481 /nfs/dbraw/zinc/79/74/81/563797481.db2.gz WUDOXRCWNHSSEF-LBPRGKRZSA-N 1 0 377.794 2.946 20 0 GFADRO [NH3+][C@@H]1CCC[C@H](CNC(=O)C(=O)Nc2ccc(Br)cc2Cl)C1 ZINC000415813592 563797547 /nfs/dbraw/zinc/79/75/47/563797547.db2.gz QIMUMTYSPPMELP-GXSJLCMTSA-N 1 0 388.693 2.675 20 0 GFADRO Cc1cc(NC(=O)C(=O)N[C@H](C[NH3+])C2CCCC2)cc(C)c1Br ZINC000415827953 563798741 /nfs/dbraw/zinc/79/87/41/563798741.db2.gz BCPLJEYCEQANBW-CQSZACIVSA-N 1 0 382.302 2.638 20 0 GFADRO Cc1nn(C)c(CNc2ccc(OC3CC[NH+](C)CC3)nc2)c1Br ZINC000366089934 563798926 /nfs/dbraw/zinc/79/89/26/563798926.db2.gz KYPAVPHVMZIZKD-UHFFFAOYSA-N 1 0 394.317 2.971 20 0 GFADRO O=C(NCCC[NH2+]C1CC1)C(=O)Nc1cccnc1-c1ccc(Cl)s1 ZINC000415870893 563799435 /nfs/dbraw/zinc/79/94/35/563799435.db2.gz PQARJHHLRVPURU-UHFFFAOYSA-N 1 0 378.885 2.660 20 0 GFADRO CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)C(=O)Nc2ccccc2Br)CC1 ZINC000415867954 563799486 /nfs/dbraw/zinc/79/94/86/563799486.db2.gz XMHBUOJSBUYECA-OAHLLOKOSA-N 1 0 394.313 2.624 20 0 GFADRO CC(C)c1cc(Br)ccc1NC(=O)C(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000415845281 563799706 /nfs/dbraw/zinc/79/97/06/563799706.db2.gz WDIFREALQRYVDA-KZULUSFZSA-N 1 0 396.329 2.954 20 0 GFADRO O=C(NCCC1=CC[NH2+]CC1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000415878702 563800135 /nfs/dbraw/zinc/80/01/35/563800135.db2.gz NVPSAVRVORPXGS-UHFFFAOYSA-N 1 0 375.778 2.723 20 0 GFADRO [NH3+]CC[C@H](NC(=O)N1CCN(Cc2ccc(Cl)s2)CC1)C(F)(F)F ZINC000416000038 563801749 /nfs/dbraw/zinc/80/17/49/563801749.db2.gz XKJGRJPNQGMWFS-NSHDSACASA-N 1 0 384.855 2.508 20 0 GFADRO [NH3+]CC[C@H](NC(=O)N[C@H]1CCCN(c2ccccc2Cl)C1)C(F)(F)F ZINC000416012922 563802257 /nfs/dbraw/zinc/80/22/57/563802257.db2.gz SWJOXDXBSQMYFJ-FZMZJTMJSA-N 1 0 378.826 2.888 20 0 GFADRO CSCC[C@H]([NH3+])C(=O)N1CCC([C@H]2c3ccc(Cl)cc3NC2=O)CC1 ZINC000366360060 563806020 /nfs/dbraw/zinc/80/60/20/563806020.db2.gz NAKHHDKQKWOHFY-HOCLYGCPSA-N 1 0 381.929 2.695 20 0 GFADRO C[NH+](C)C[C@H]1CCCN1C(=O)c1ccn(-c2ccc(Br)cc2)n1 ZINC000293352266 563809312 /nfs/dbraw/zinc/80/93/12/563809312.db2.gz ZJNHVBUSDNRBNT-OAHLLOKOSA-N 1 0 377.286 2.801 20 0 GFADRO CN(CCOc1ccc(Br)cc1)C(=O)C[N@H+](C)CC1(O)CCCC1 ZINC000443875662 563812861 /nfs/dbraw/zinc/81/28/61/563812861.db2.gz IVGVCQIEFPNATJ-UHFFFAOYSA-N 1 0 399.329 2.523 20 0 GFADRO O=C(CCc1ccc(Br)cc1)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000366560294 563813809 /nfs/dbraw/zinc/81/38/09/563813809.db2.gz WOIBHZZPMVROAV-QGZVFWFLSA-N 1 0 381.314 2.751 20 0 GFADRO O=C(N[C@H]1CC12CC[NH2+]CC2)c1ccc(I)cc1Cl ZINC000366553236 563813818 /nfs/dbraw/zinc/81/38/18/563813818.db2.gz GNNIHEVOFKLKOR-LBPRGKRZSA-N 1 0 390.652 2.817 20 0 GFADRO COCC[N@H+](C)CCCNC(=O)c1cc(Cl)cc(Br)c1F ZINC000443952640 563816452 /nfs/dbraw/zinc/81/64/52/563816452.db2.gz XJQFXAAIFYOWPH-UHFFFAOYSA-N 1 0 381.673 2.940 20 0 GFADRO Cc1cc(CC(C)(C)C(=O)NCC2(O)CC[NH+](C)CC2)ccc1Br ZINC000293523663 563816502 /nfs/dbraw/zinc/81/65/02/563816502.db2.gz YPDJOOITEXFDPJ-UHFFFAOYSA-N 1 0 397.357 2.899 20 0 GFADRO Cc1ccc(C(=O)N(C)C2CC[NH+](C3CCOCC3)CC2)c(Br)n1 ZINC000366740933 563818452 /nfs/dbraw/zinc/81/84/52/563818452.db2.gz RRQZFOINLSMKGT-UHFFFAOYSA-N 1 0 396.329 2.868 20 0 GFADRO C[C@H](CO)[N@@H+]1CCCN(C(=O)Nc2cc(F)cc(Br)c2F)CC1 ZINC000366746889 563818652 /nfs/dbraw/zinc/81/86/52/563818652.db2.gz SEKWWAHTXLQADO-SNVBAGLBSA-N 1 0 392.244 2.648 20 0 GFADRO C[C@H]([NH2+]C1(Cc2ccc(F)cc2Br)CCOCC1)C(=O)N(C)C ZINC000293584842 563819636 /nfs/dbraw/zinc/81/96/36/563819636.db2.gz NXLMTTBWDHOKJG-LBPRGKRZSA-N 1 0 387.293 2.746 20 0 GFADRO Cc1cc(Br)cc(S(=O)(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)c1 ZINC000444079419 563820537 /nfs/dbraw/zinc/82/05/37/563820537.db2.gz VYGRJSNXTQZINK-KBPBESRZSA-N 1 0 375.332 2.909 20 0 GFADRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2S(=O)(=O)c2ccc(C(F)(F)F)cc2F)C1 ZINC000444083175 563820854 /nfs/dbraw/zinc/82/08/54/563820854.db2.gz JQGZIYFDWQJQGW-BXUZGUMPSA-N 1 0 380.407 2.949 20 0 GFADRO CC[C@@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1cc(Cl)c(OC)cc1OC ZINC000416384753 563821160 /nfs/dbraw/zinc/82/11/60/563821160.db2.gz FGVRDKHXSOSXEG-CYBMUJFWSA-N 1 0 390.933 2.900 20 0 GFADRO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)[C@@H](C)Oc1ccc(F)cc1Br ZINC000366936165 563825398 /nfs/dbraw/zinc/82/53/98/563825398.db2.gz VWJQGYXOIZZZNR-USWWRNFRSA-N 1 0 377.229 2.514 20 0 GFADRO C[NH+](C)CC1(NC(=O)C2CCN(C(=O)c3ccc(Cl)s3)CC2)CCC1 ZINC000367003463 563827737 /nfs/dbraw/zinc/82/77/37/563827737.db2.gz GIRURUIWIICNNN-UHFFFAOYSA-N 1 0 383.945 2.854 20 0 GFADRO COc1cc(S(=O)(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)ccc1Cl ZINC000416443454 563829159 /nfs/dbraw/zinc/82/91/59/563829159.db2.gz ZIWZXVSIHHKSIY-GUYCJALGSA-N 1 0 384.929 2.986 20 0 GFADRO CN(C(=O)CSCC(F)(F)F)C1CC[NH+](CCc2ccccn2)CC1 ZINC000367075897 563829996 /nfs/dbraw/zinc/82/99/96/563829996.db2.gz JRVYWDNAEMYAHA-UHFFFAOYSA-N 1 0 375.460 2.842 20 0 GFADRO C[C@@H](NC(=O)c1cnc2ccc(Br)cc2c1O)C1=CC[N@H+](C)CC1 ZINC000444359530 563830470 /nfs/dbraw/zinc/83/04/70/563830470.db2.gz BXAJLTHUCYTLFR-LLVKDONJSA-N 1 0 390.281 2.671 20 0 GFADRO NS(=O)(=O)C1CC[NH+](CCCCOc2cccc(C(F)(F)F)c2)CC1 ZINC000367123389 563831882 /nfs/dbraw/zinc/83/18/82/563831882.db2.gz QRWBPYWQOVREKG-UHFFFAOYSA-N 1 0 380.432 2.617 20 0 GFADRO COC(=O)c1c(Cl)cccc1S(=O)(=O)N[C@H](C)C[NH+]1CCCCCC1 ZINC000416463608 563832030 /nfs/dbraw/zinc/83/20/30/563832030.db2.gz DDPWCPYWPNDWPZ-CYBMUJFWSA-N 1 0 388.917 2.669 20 0 GFADRO C[C@H]1CN(C(=O)COc2cc(Cl)cc(Cl)c2)CC[N@@H+]1CC(C)(C)O ZINC000444557574 563833256 /nfs/dbraw/zinc/83/32/56/563833256.db2.gz WZWIYRYAGOEPBQ-LBPRGKRZSA-N 1 0 375.296 2.676 20 0 GFADRO C[C@@H](NC(=O)C[N@H+](CCO)C1CCOCC1)c1ccc(Cl)cc1Cl ZINC000444772417 563836288 /nfs/dbraw/zinc/83/62/88/563836288.db2.gz AEKDOMCYPAQONN-GFCCVEGCSA-N 1 0 375.296 2.644 20 0 GFADRO COC(=O)[C@@H](c1cccc(Cl)c1Cl)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000444760190 563836910 /nfs/dbraw/zinc/83/69/10/563836910.db2.gz SCVJNIJYHJPWLG-BLLLJJGKSA-N 1 0 389.323 2.985 20 0 GFADRO CCN1CC[C@H]([NH2+]CC(=O)Nc2nncs2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000367252819 563838026 /nfs/dbraw/zinc/83/80/26/563838026.db2.gz ONKBIFJLKLTXEY-ZFWWWQNUSA-N 1 0 383.880 2.694 20 0 GFADRO C[N@@H+]1CC[C@H](CNS(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 ZINC000416492848 563838693 /nfs/dbraw/zinc/83/86/93/563838693.db2.gz BLPLICPHXKVTQH-SECBINFHSA-N 1 0 390.349 2.954 20 0 GFADRO CS(=O)(=O)N1CC[C@@H](C[N@@H+]2CCc3sccc3[C@H]2c2ccccc2)C1 ZINC000367273427 563839388 /nfs/dbraw/zinc/83/93/88/563839388.db2.gz CSQSBLGCDVPFDQ-HNAYVOBHSA-N 1 0 376.547 2.977 20 0 GFADRO CCOC(=O)c1cc(Cl)cc(S(=O)(=O)NCCCC[N@H+](C)C2CC2)c1 ZINC000416507876 563840647 /nfs/dbraw/zinc/84/06/47/563840647.db2.gz PGVYMBKOBKAEQV-UHFFFAOYSA-N 1 0 388.917 2.669 20 0 GFADRO Cc1nn(-c2ccccn2)c(Cl)c1CN1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000367317371 563840954 /nfs/dbraw/zinc/84/09/54/563840954.db2.gz KIVKOTBVMICUQB-OAHLLOKOSA-N 1 0 377.945 2.852 20 0 GFADRO C[NH+]1CCN(CCCNC(=O)c2cc(Cl)c(F)cc2Br)CC1 ZINC000294387177 563841026 /nfs/dbraw/zinc/84/10/26/563841026.db2.gz LFMHKCZCWFWOCJ-UHFFFAOYSA-N 1 0 392.700 2.609 20 0 GFADRO O=C1C[C@H]([C@@H]2CCCC[N@H+]2Cc2cccc(I)c2)CN1 ZINC000367434987 563844209 /nfs/dbraw/zinc/84/42/09/563844209.db2.gz ANLPOXBQUUFTHB-ZFWWWQNUSA-N 1 0 384.261 2.782 20 0 GFADRO Cc1c(Br)cccc1S(=O)(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000416562361 563848970 /nfs/dbraw/zinc/84/89/70/563848970.db2.gz WFVYNHRLIAYTJR-CYBMUJFWSA-N 1 0 375.332 2.768 20 0 GFADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)Nc3ccc([S@@](=O)C(F)(F)F)cc3)C[C@H]21 ZINC000367583066 563849557 /nfs/dbraw/zinc/84/95/57/563849557.db2.gz QLNSMRPLEAXBPE-DDGBTSPSSA-N 1 0 375.416 2.872 20 0 GFADRO CCCOc1ccc(S(=O)(=O)N2C[C@H](SC)[C@@H]([NH+]3CCCC3)C2)cc1 ZINC000445715773 563852530 /nfs/dbraw/zinc/85/25/30/563852530.db2.gz IQTNWNUHAAFXJK-ROUUACIJSA-N 1 0 384.567 2.676 20 0 GFADRO COc1ccc(S(=O)(=O)N2C[C@@H](SC)[C@@H]([NH+]3CCCC3)C2)cc1Cl ZINC000445742816 563853801 /nfs/dbraw/zinc/85/38/01/563853801.db2.gz KXSPZGGKCIHSBK-GOEBONIOSA-N 1 0 390.958 2.549 20 0 GFADRO CN1CC[NH+](C[C@@H]2CCCN(C[C@H](O)c3ccc(Cl)cc3Cl)C2)CC1 ZINC000367767405 563854902 /nfs/dbraw/zinc/85/49/02/563854902.db2.gz LMARCDUPVZVADO-KXBFYZLASA-N 1 0 386.367 2.986 20 0 GFADRO O=C1NC(=O)[C@@H]2C[N@H+](Cc3ccc(-c4ccc(Br)cc4)o3)CC[C@@H]12 ZINC000367826991 563856723 /nfs/dbraw/zinc/85/67/23/563856723.db2.gz DACXLCPCUHAJAF-HUUCEWRRSA-N 1 0 389.249 2.804 20 0 GFADRO C[NH+](C)CCOc1cccc(NC(=O)Cc2cc[nH]c(=O)c2Br)c1 ZINC000446089040 563858670 /nfs/dbraw/zinc/85/86/70/563858670.db2.gz CWDBZUKGLUQSQB-UHFFFAOYSA-N 1 0 394.269 2.671 20 0 GFADRO CN(CC1([NH+](C)C)CCC1)C(=O)NCCOc1cccc(Br)c1 ZINC000446129517 563858889 /nfs/dbraw/zinc/85/88/89/563858889.db2.gz ZJOSHGHBLAQHIO-UHFFFAOYSA-N 1 0 384.318 2.954 20 0 GFADRO C[C@@H](NC(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1)c1cc(F)c(Cl)cc1Cl ZINC000416852949 563862394 /nfs/dbraw/zinc/86/23/94/563862394.db2.gz STUWLMFOIAMFFY-VXGBXAGGSA-N 1 0 389.302 2.883 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)N1C[C@H](C)[N@H+](CCO)C[C@@H]1C ZINC000416906891 563862959 /nfs/dbraw/zinc/86/29/59/563862959.db2.gz ARULHBDTSUNOPB-STQMWFEESA-N 1 0 384.318 2.930 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H](NC(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)C1 ZINC000446406117 563863779 /nfs/dbraw/zinc/86/37/79/563863779.db2.gz OMZYXJVGURDZRO-IOASZLSFSA-N 1 0 384.307 2.984 20 0 GFADRO CCOc1c(Br)cc(C(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)cc1OC ZINC000368097173 563864106 /nfs/dbraw/zinc/86/41/06/563864106.db2.gz WSHFITFZNURSSH-AAEUAGOBSA-N 1 0 383.286 2.538 20 0 GFADRO CCOCCOc1ccc(Br)cc1C[N@@H+]1CC[C@H](CC(N)=O)C1 ZINC000368131850 563864447 /nfs/dbraw/zinc/86/44/47/563864447.db2.gz CCGQHZCDSQZMNU-CYBMUJFWSA-N 1 0 385.302 2.562 20 0 GFADRO C[C@@H]1CN(C(=O)Nc2ccc(Cl)c(OC(F)F)c2)[C@@H](C)C[N@@H+]1CCO ZINC000416978702 563864579 /nfs/dbraw/zinc/86/45/79/563864579.db2.gz CYFUSGZJZHPWRR-MNOVXSKESA-N 1 0 377.819 2.860 20 0 GFADRO Cn1cc(NC(=O)c2ccc(Nc3cc[nH+]cc3)cc2)cc(Br)c1=O ZINC000446678691 563867762 /nfs/dbraw/zinc/86/77/62/563867762.db2.gz UWOUXEZOYCXQOT-UHFFFAOYSA-N 1 0 399.248 2.961 20 0 GFADRO Cc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)N1CC[C@H]2C[NH2+]C[C@H]21 ZINC000368379038 563869481 /nfs/dbraw/zinc/86/94/81/563869481.db2.gz SUVLQMDAZCREJM-SWLSCSKDSA-N 1 0 379.291 2.981 20 0 GFADRO C[C@H](NC(=O)N1C[C@H](C[NH3+])C[C@@H]1C)c1cc2c(cc1Br)OCCO2 ZINC000417168586 563869710 /nfs/dbraw/zinc/86/97/10/563869710.db2.gz AUHBPUHBWHYRHN-SRVKXCTJSA-N 1 0 398.301 2.660 20 0 GFADRO O=C(NCCc1ccc(F)c(Br)c1)N1CCC2(C1)CC[NH2+]CC2 ZINC000417184128 563871299 /nfs/dbraw/zinc/87/12/99/563871299.db2.gz QRLJMVHKUSGRCK-UHFFFAOYSA-N 1 0 384.293 2.916 20 0 GFADRO C[C@@H](NC(=O)N1CC[NH2+]C(C)(C)C1)c1cc2c(cc1Br)OCCO2 ZINC000417189713 563871827 /nfs/dbraw/zinc/87/18/27/563871827.db2.gz YVZROBYWBUALOT-LLVKDONJSA-N 1 0 398.301 2.675 20 0 GFADRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1cc(Br)cnc1N(C)C ZINC000368546070 563873332 /nfs/dbraw/zinc/87/33/32/563873332.db2.gz PTHNQFWJFRBMMQ-GXTWGEPZSA-N 1 0 381.318 2.609 20 0 GFADRO CCN(CC)C(=O)C[C@H](C)[NH2+][C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000447099860 563874829 /nfs/dbraw/zinc/87/48/29/563874829.db2.gz SNUVVVUDAQMOSF-BBRMVZONSA-N 1 0 396.329 2.791 20 0 GFADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)c3cc(F)ccc3I)C[C@@H]21 ZINC000368589411 563875023 /nfs/dbraw/zinc/87/50/23/563875023.db2.gz IUNHEYKYNOHXIY-YGRLFVJLSA-N 1 0 388.224 2.597 20 0 GFADRO CO[C@@H]1CCN(C(=O)N[C@H]2CCc3cc(Br)ccc32)[C@@H](C[NH3+])C1 ZINC000417243004 563875160 /nfs/dbraw/zinc/87/51/60/563875160.db2.gz OCKOCBRSNZHOBM-FMKPAKJESA-N 1 0 382.302 2.584 20 0 GFADRO C[C@]1(C[NH3+])CCN(C(=O)NC[C@H]2CCN(c3cccc(Br)c3)C2)C1 ZINC000417260910 563875807 /nfs/dbraw/zinc/87/58/07/563875807.db2.gz JWZWDNPYUXUFDJ-RDTXWAMCSA-N 1 0 395.345 2.656 20 0 GFADRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)NC[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000417268616 563875938 /nfs/dbraw/zinc/87/59/38/563875938.db2.gz ZQMICGPGRZBHHQ-QLFBSQMISA-N 1 0 395.345 2.654 20 0 GFADRO Cc1sc(Br)cc1S(=O)(=O)NCC[N@H+]1CCC[C@H](C)C1 ZINC000447197968 563876829 /nfs/dbraw/zinc/87/68/29/563876829.db2.gz DFSFZILADGYBGF-JTQLQIEISA-N 1 0 381.361 2.829 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H](CNC(=O)NCc2cc(Br)c3c(c2)OCCO3)C1 ZINC000417299045 563877641 /nfs/dbraw/zinc/87/76/41/563877641.db2.gz LVDYPZKWNZAPLN-DGCLKSJQSA-N 1 0 398.301 2.537 20 0 GFADRO O=C(NCCc1cc(Br)ccc1F)N1CCC2(C1)CC[NH2+]CC2 ZINC000417295525 563877764 /nfs/dbraw/zinc/87/77/64/563877764.db2.gz KKENTQCPNNLHMZ-UHFFFAOYSA-N 1 0 384.293 2.916 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)NCCc3cc(Br)ccc3F)C[C@@H]21 ZINC000417293464 563877820 /nfs/dbraw/zinc/87/78/20/563877820.db2.gz FOWVLWIGUBQSLD-IVMMDQJWSA-N 1 0 384.293 2.900 20 0 GFADRO CSc1cc(NC(=O)N2CCN(CCC(=O)N(C)C)CC2)ccc1Cl ZINC000417294727 563877832 /nfs/dbraw/zinc/87/78/32/563877832.db2.gz MWVDHVZAACWJGR-UHFFFAOYSA-N 1 0 384.933 2.690 20 0 GFADRO C[C@H](CCCC[NH3+])NC(=O)NCc1cc(Br)c2c(c1)OCCO2 ZINC000417296592 563877844 /nfs/dbraw/zinc/87/78/44/563877844.db2.gz HQYJORWPDNZFEJ-LLVKDONJSA-N 1 0 386.290 2.537 20 0 GFADRO CCCC[C@@H](C[NH3+])NC(=O)NCc1cc(Br)c(OC)c(OC)c1 ZINC000417382272 563879214 /nfs/dbraw/zinc/87/92/14/563879214.db2.gz XLZHRBDTSIWRNR-LBPRGKRZSA-N 1 0 388.306 2.783 20 0 GFADRO C[NH2+][C@@H]1CCCN(C(=O)NCc2cc(Br)ccc2OC(F)F)C1 ZINC000417410024 563879832 /nfs/dbraw/zinc/87/98/32/563879832.db2.gz QZILPFQZQZWFMZ-GFCCVEGCSA-N 1 0 392.244 2.944 20 0 GFADRO CO[C@@H]1CCN(C(=O)NCC(C)(C)c2cccc(Br)c2)[C@@H](C[NH3+])C1 ZINC000417429084 563880044 /nfs/dbraw/zinc/88/00/44/563880044.db2.gz MRKOIBMSWOQJEI-HZPDHXFCSA-N 1 0 398.345 2.874 20 0 GFADRO [NH3+]C[C@H]1CCCN1C(=O)NCC1(c2ccc(Br)cc2)CCOCC1 ZINC000417430207 563880075 /nfs/dbraw/zinc/88/00/75/563880075.db2.gz OVANNBDHRIYGJX-MRXNPFEDSA-N 1 0 396.329 2.630 20 0 GFADRO [NH3+]C1CCC(NC(=O)N[C@@H]2CCN(c3ccc(Br)cc3)C2)CC1 ZINC000417481811 563880970 /nfs/dbraw/zinc/88/09/70/563880970.db2.gz OMOAYUFSODBZMM-YMAMQOFZSA-N 1 0 381.318 2.597 20 0 GFADRO O=C(N[C@H]1CCN(c2ccc(Br)cc2)C1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000417478466 563881151 /nfs/dbraw/zinc/88/11/51/563881151.db2.gz IIUQZCSSJBFMLF-XHSDSOJGSA-N 1 0 393.329 2.564 20 0 GFADRO [NH3+]C[C@H](NC(=O)N[C@@H]1CCN(c2ccc(Br)cc2)C1)C1CCCC1 ZINC000417484822 563881176 /nfs/dbraw/zinc/88/11/76/563881176.db2.gz VOFSVUVERCYWEN-WBVHZDCISA-N 1 0 395.345 2.845 20 0 GFADRO Cc1cc(NC(=O)N[C@H]2CCC[N@H+](CCCO)C2)cc(F)c1Br ZINC000417523617 563881659 /nfs/dbraw/zinc/88/16/59/563881659.db2.gz IKUVUALVKQUPCI-LBPRGKRZSA-N 1 0 388.281 2.865 20 0 GFADRO Cc1cccc(NC(=O)C(=O)NCC[N@@H+]2CCCC(C)(C)C2)c1Br ZINC000447428678 563881755 /nfs/dbraw/zinc/88/17/55/563881755.db2.gz ZHOZCHJBONFFOT-UHFFFAOYSA-N 1 0 396.329 2.934 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)c2cc(I)ccc2Cl)CC[NH2+]1 ZINC000447510331 563882306 /nfs/dbraw/zinc/88/23/06/563882306.db2.gz IHCZQVHHHXBUIJ-SCZZXKLOSA-N 1 0 378.641 2.815 20 0 GFADRO C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)N1CCC[N@@H+]([C@H](C)CO)CC1 ZINC000368959595 563882665 /nfs/dbraw/zinc/88/26/65/563882665.db2.gz XDJAMHPGHNTCNM-CHWSQXEVSA-N 1 0 375.296 2.676 20 0 GFADRO CCc1nc(CN2CCC[C@@H]([NH2+]Cc3cnc(C(F)(F)F)s3)C2)no1 ZINC000368964702 563883042 /nfs/dbraw/zinc/88/30/42/563883042.db2.gz PZTBZOLKRCTYKJ-SNVBAGLBSA-N 1 0 375.420 2.862 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000369037535 563884838 /nfs/dbraw/zinc/88/48/38/563884838.db2.gz YJFBVNKMABDDCC-JKSUJKDBSA-N 1 0 382.302 2.820 20 0 GFADRO CC[C@H](NC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(Cl)s1 ZINC000417647393 563886873 /nfs/dbraw/zinc/88/68/73/563886873.db2.gz LIZMSUKBFUTHRO-CMPLNLGQSA-N 1 0 398.882 2.988 20 0 GFADRO CO[C@@H]1CCN(C(=O)NCC2(c3cccc(Br)c3)CC2)[C@H](C[NH3+])C1 ZINC000417662248 563886976 /nfs/dbraw/zinc/88/69/76/563886976.db2.gz RIUIZXOYHXHYQB-JKSUJKDBSA-N 1 0 396.329 2.628 20 0 GFADRO O=C(NCC1(c2cccc(Br)c2)CC1)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000417653334 563886981 /nfs/dbraw/zinc/88/69/81/563886981.db2.gz AWBYXCPCOUUWKM-UONOGXRCSA-N 1 0 378.314 2.732 20 0 GFADRO C[C@@H](NC(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1)c1cccc(Cl)c1Cl ZINC000417736373 563888126 /nfs/dbraw/zinc/88/81/26/563888126.db2.gz BCHMNDXOMWRMQL-NEPJUHHUSA-N 1 0 387.311 2.551 20 0 GFADRO C[C@@H](CNC(=O)N1CCC[C@H](CC[NH3+])C1)Oc1ccc(Br)cc1 ZINC000417772979 563888730 /nfs/dbraw/zinc/88/87/30/563888730.db2.gz IKUVNNAHRKNSKB-UONOGXRCSA-N 1 0 384.318 2.987 20 0 GFADRO CCN(CCC[NH+]1CCCC1)S(=O)(=O)c1ccc(OC(F)F)c(F)c1 ZINC000447869198 563889097 /nfs/dbraw/zinc/88/90/97/563889097.db2.gz QCYPCWKDXLEYPX-UHFFFAOYSA-N 1 0 380.432 2.924 20 0 GFADRO C[C@H](CNC(=O)N[C@H]1C[NH2+]CCC1(F)F)Oc1ccc(Br)cc1 ZINC000417775760 563889206 /nfs/dbraw/zinc/88/92/06/563889206.db2.gz OFMRRRJARZKWKE-MFKMUULPSA-N 1 0 392.244 2.513 20 0 GFADRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2S(=O)(=O)c2ccc(C(F)(F)F)c(F)c2)C1 ZINC000447881732 563889947 /nfs/dbraw/zinc/88/99/47/563889947.db2.gz ZSOUIJZWTIXDJC-NHYWBVRUSA-N 1 0 380.407 2.949 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2ccc(OC(F)F)c(F)c2)[C@H](C)C1 ZINC000447876287 563889991 /nfs/dbraw/zinc/88/99/91/563889991.db2.gz ZOBROUGGMRMGLR-RISCZKNCSA-N 1 0 380.432 2.778 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)CCC[NH2+][C@@H](CO)[C@@H]1CCCO1 ZINC000447917885 563890715 /nfs/dbraw/zinc/89/07/15/563890715.db2.gz YSLHYQXTCYJNBR-HOTGVXAUSA-N 1 0 399.329 2.914 20 0 GFADRO CC[C@H](C)NC(=O)CC[NH2+]Cc1ccc(F)cc1I ZINC000417895678 563890959 /nfs/dbraw/zinc/89/09/59/563890959.db2.gz ZWSYUZZFMZRJNA-JTQLQIEISA-N 1 0 378.229 2.825 20 0 GFADRO C[C@@H](NC(=O)N1CC[NH2+][C@H](C)C1)c1nc(-c2ccc(Br)cc2)no1 ZINC000417883053 563891020 /nfs/dbraw/zinc/89/10/20/563891020.db2.gz FCWQEZYNYMWBIW-GHMZBOCLSA-N 1 0 394.273 2.563 20 0 GFADRO COC(=O)c1cc(Cl)ccc1S(=O)(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC000447939555 563891284 /nfs/dbraw/zinc/89/12/84/563891284.db2.gz FZHFHSDUAQZGGU-HNNXBMFYSA-N 1 0 388.917 2.525 20 0 GFADRO CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)N1C[C@H](C)[NH2+]C[C@H]1C ZINC000417976752 563893482 /nfs/dbraw/zinc/89/34/82/563893482.db2.gz FODHMKBYKPNVKP-ZWUHOBOKSA-N 1 0 384.318 2.917 20 0 GFADRO CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)N1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000417983862 563893515 /nfs/dbraw/zinc/89/35/15/563893515.db2.gz LYILKFWFMYLNFB-DSPQJCBJSA-N 1 0 384.318 2.904 20 0 GFADRO CC[C@H](C)[N@H+](C)CCNC(=O)Nc1ccnn1-c1ccc(Br)cn1 ZINC000448123248 563894300 /nfs/dbraw/zinc/89/43/00/563894300.db2.gz RTEWNSINAKXUEE-LBPRGKRZSA-N 1 0 395.305 2.882 20 0 GFADRO COc1cc(Br)ccc1CCCNC(=O)N1C[C@@H](C[NH3+])C[C@H]1C ZINC000418002702 563894622 /nfs/dbraw/zinc/89/46/22/563894622.db2.gz MGDURCCMIDVFAF-CHWSQXEVSA-N 1 0 384.318 2.769 20 0 GFADRO C[C@@H](CCCC[NH3+])NC(=O)N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000418009124 563895039 /nfs/dbraw/zinc/89/50/39/563895039.db2.gz RTMAYFWLIALPBN-XHDPSFHLSA-N 1 0 387.311 2.915 20 0 GFADRO C[C@H]([NH3+])C1CCN(C(=O)NCc2cc(Br)cc3c2OCC3)CC1 ZINC000418009671 563895090 /nfs/dbraw/zinc/89/50/90/563895090.db2.gz IOCAOTVGWAURNC-NSHDSACASA-N 1 0 382.302 2.653 20 0 GFADRO CC(=O)N1CCC[C@@H](C[NH2+]Cc2ccc(F)cc2I)C1 ZINC000418023950 563895873 /nfs/dbraw/zinc/89/58/73/563895873.db2.gz CSHOBPFBSIADOW-LBPRGKRZSA-N 1 0 390.240 2.778 20 0 GFADRO CCCOC[C@@H](Cc1cccc(Br)c1)NC(=O)N[C@@H](C)CC[NH3+] ZINC000418029684 563896084 /nfs/dbraw/zinc/89/60/84/563896084.db2.gz LOJVSKOYWWNMEG-XJKSGUPXSA-N 1 0 386.334 2.823 20 0 GFADRO C[C@H]1CN(C(=O)NCc2cc(Br)ccc2Br)CC[NH2+]1 ZINC000418041524 563896273 /nfs/dbraw/zinc/89/62/73/563896273.db2.gz JWUBEKOPCJALPN-VIFPVBQESA-N 1 0 391.107 2.715 20 0 GFADRO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC(C)(C)COc1ncccc1Br ZINC000448462584 563897265 /nfs/dbraw/zinc/89/72/65/563897265.db2.gz VHJPLKLZILRPCS-CHWSQXEVSA-N 1 0 384.318 2.991 20 0 GFADRO O[C@@H](CC[NH2+]Cc1ccc(F)cc1I)C(F)(F)F ZINC000418067628 563897435 /nfs/dbraw/zinc/89/74/35/563897435.db2.gz NBSMRNITOHJZPR-JTQLQIEISA-N 1 0 377.119 2.833 20 0 GFADRO CC(C)C[C@H](C[NH3+])NC(=O)N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000418077760 563897825 /nfs/dbraw/zinc/89/78/25/563897825.db2.gz ILQNOQDJZQBYJD-TZMCWYRMSA-N 1 0 387.311 2.771 20 0 GFADRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)NCc1cnn(-c2ccc(Br)cc2)c1 ZINC000418087051 563898123 /nfs/dbraw/zinc/89/81/23/563898123.db2.gz FWZSPEJJMFTCKY-QWHCGFSZSA-N 1 0 392.301 2.514 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccccc1-n1cc(Br)cn1 ZINC000448601229 563898746 /nfs/dbraw/zinc/89/87/46/563898746.db2.gz QWVCGSPDCWBJKK-CQSZACIVSA-N 1 0 377.286 2.849 20 0 GFADRO Cc1ccc(CC(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)c(Br)c1 ZINC000448627213 563899108 /nfs/dbraw/zinc/89/91/08/563899108.db2.gz HHDJUEICULNWQB-GJZGRUSLSA-N 1 0 383.330 2.916 20 0 GFADRO C[NH2+]C[C@H](C)CNC(=O)NCc1ccc(I)cc1Cl ZINC000418116433 563899399 /nfs/dbraw/zinc/89/93/99/563899399.db2.gz BBZRNOBITKEOBD-VIFPVBQESA-N 1 0 395.672 2.599 20 0 GFADRO Cc1cc(CNC(=O)N[C@H]2CC[NH2+][C@H](C)C2)ccc1I ZINC000418144019 563900053 /nfs/dbraw/zinc/90/00/53/563900053.db2.gz RZKVHCFWGJPELE-YPMHNXCESA-N 1 0 387.265 2.539 20 0 GFADRO COCC[C@@H](NC(=O)NC[C@H]1C[NH2+]CCCO1)c1ccc(Cl)c(Cl)c1 ZINC000418174362 563900743 /nfs/dbraw/zinc/90/07/43/563900743.db2.gz UIRMADMEJBBBPL-CZUORRHYSA-N 1 0 390.311 2.749 20 0 GFADRO COCC[C@@H](NC(=O)NC[C@@H]1C[NH2+]CCCO1)c1ccc(Cl)c(Cl)c1 ZINC000418174363 563900792 /nfs/dbraw/zinc/90/07/92/563900792.db2.gz UIRMADMEJBBBPL-XJKSGUPXSA-N 1 0 390.311 2.749 20 0 GFADRO Cc1ccn(CC(=O)N(CC[NH+](C)C)Cc2ccc(Br)cc2)n1 ZINC000448815797 563901590 /nfs/dbraw/zinc/90/15/90/563901590.db2.gz IPOZKUHCLSTEIY-UHFFFAOYSA-N 1 0 379.302 2.544 20 0 GFADRO Cc1ccc(CC(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)c(Br)c1 ZINC000448914899 563903125 /nfs/dbraw/zinc/90/31/25/563903125.db2.gz VVNFRVMNLGQZDI-MRXNPFEDSA-N 1 0 383.330 2.869 20 0 GFADRO COC(=O)c1nn(-c2ccc(Cl)c(Cl)c2)cc1CN1CC[NH+](C)CC1 ZINC000448989995 563904857 /nfs/dbraw/zinc/90/48/57/563904857.db2.gz GGYKRYWVAKCQQQ-UHFFFAOYSA-N 1 0 383.279 2.713 20 0 GFADRO CCN(CCC[NH2+][C@H]1CCc2c1ccc(F)c2Br)S(C)(=O)=O ZINC000449087778 563906398 /nfs/dbraw/zinc/90/63/98/563906398.db2.gz WQZJHGKGOZQPPC-AWEZNQCLSA-N 1 0 393.322 2.837 20 0 GFADRO C[C@@H](C[NH2+]CCN1CCc2sccc2C1)c1ccc(S(C)(=O)=O)cc1 ZINC000449094783 563906407 /nfs/dbraw/zinc/90/64/07/563906407.db2.gz UECZTTKZIARZHF-HNNXBMFYSA-N 1 0 378.563 2.903 20 0 GFADRO CCN(CC)S(=O)(=O)CCNC1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449143573 563907243 /nfs/dbraw/zinc/90/72/43/563907243.db2.gz IBZURVCRKXTAAD-UHFFFAOYSA-N 1 0 375.623 2.927 20 0 GFADRO CCn1nnc(C)c1C[NH2+]CCC(=O)N(C)Cc1ccccc1Br ZINC000449141873 563907552 /nfs/dbraw/zinc/90/75/52/563907552.db2.gz RIRXRDFMNNDOMY-UHFFFAOYSA-N 1 0 394.317 2.507 20 0 GFADRO Cc1cc(Br)c(C[NH2+]C[C@](C)(O)CN2CCOCC2)cc1Cl ZINC000449156648 563907573 /nfs/dbraw/zinc/90/75/73/563907573.db2.gz SXODCIVMVMCCBQ-INIZCTEOSA-N 1 0 391.737 2.584 20 0 GFADRO CN(C)C(=O)[C@@H]1CC[C@H](C[NH2+][C@H]2CCc3c2ccc(F)c3Br)O1 ZINC000449202985 563907925 /nfs/dbraw/zinc/90/79/25/563907925.db2.gz JQMDJWBQGCKFQH-ONERCXAPSA-N 1 0 385.277 2.801 20 0 GFADRO CS(=O)(=O)N[C@H]1CCC[C@H]1C[NH2+]Cc1cnc(-c2ccccc2F)s1 ZINC000449223957 563908120 /nfs/dbraw/zinc/90/81/20/563908120.db2.gz PQMDANAZVWCXTJ-LRDDRELGSA-N 1 0 383.514 2.757 20 0 GFADRO O=S1(=O)CCO[C@H](C[NH2+][C@H]2CCCc3nc(-c4ccccc4)sc32)C1 ZINC000537964274 564178237 /nfs/dbraw/zinc/17/82/37/564178237.db2.gz LHELZAMASXKAQD-CABCVRRESA-N 1 0 378.519 2.591 20 0 GFADRO Cn1nccc1N1CCC[C@H]([NH2+]Cc2ccc(I)cc2)C1 ZINC000449287425 564178915 /nfs/dbraw/zinc/17/89/15/564178915.db2.gz KNKOLULSOSLEIL-HNNXBMFYSA-N 1 0 396.276 2.783 20 0 GFADRO CC(C)N1C[C@@H]([NH2+][C@H](C)CC(=O)Nc2ccc(Br)cc2)CC1=O ZINC000537980682 564179208 /nfs/dbraw/zinc/17/92/08/564179208.db2.gz IMVGLCUSRKORAK-DOMZBBRYSA-N 1 0 382.302 2.765 20 0 GFADRO CS(=O)(=O)c1cccc(C[NH2+]CCCCn2cc(Br)cn2)c1 ZINC000449293462 564179801 /nfs/dbraw/zinc/17/98/01/564179801.db2.gz HNMBQZNIVDVJPV-UHFFFAOYSA-N 1 0 386.315 2.619 20 0 GFADRO CS(=O)(=O)N1CCCC[C@@H]1C[NH2+]Cc1cnc(-c2ccccc2F)s1 ZINC000449322994 564180801 /nfs/dbraw/zinc/18/08/01/564180801.db2.gz QXFRCFVHUNMRCV-CYBMUJFWSA-N 1 0 383.514 2.853 20 0 GFADRO C[C@H](CN1CC[C@@H](C(F)(F)F)[C@H](CO)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000449323567 564180964 /nfs/dbraw/zinc/18/09/64/564180964.db2.gz WENOFZQEHKRJSC-IVMMDQJWSA-N 1 0 379.444 2.686 20 0 GFADRO O=C(NCC[NH2+][C@H](c1ccc(Br)cc1)C1CC1)c1cnccn1 ZINC000538099868 564182307 /nfs/dbraw/zinc/18/23/07/564182307.db2.gz FBIZMJPAOANOJK-INIZCTEOSA-N 1 0 375.270 2.710 20 0 GFADRO COCC[C@@H](Cc1cccc(F)c1)[NH2+]CCn1cc(Br)ccc1=O ZINC000449373307 564182401 /nfs/dbraw/zinc/18/24/01/564182401.db2.gz BRVCOTJHAHKZQM-KRWDZBQOSA-N 1 0 397.288 2.987 20 0 GFADRO CS(=O)(=O)N1CC[C@H]([NH2+][C@H](Cc2cccnc2)c2ccc(Cl)cc2)C1 ZINC000563263595 564183338 /nfs/dbraw/zinc/18/33/38/564183338.db2.gz HOULWQVPYUJZRK-ZWKOTPCHSA-N 1 0 379.913 2.642 20 0 GFADRO OCCN1CCCC[C@@H]1C[NH2+]Cc1cc(Br)c2c(c1)OCCCO2 ZINC000449390387 564184666 /nfs/dbraw/zinc/18/46/66/564184666.db2.gz GQEYIYFCHICCMK-OAHLLOKOSA-N 1 0 399.329 2.547 20 0 GFADRO OCCN1CCCC[C@H]1C[NH2+]Cc1ccnc2c(Br)cccc12 ZINC000449392913 564184707 /nfs/dbraw/zinc/18/47/07/564184707.db2.gz AERFINVWQZNUHO-HNNXBMFYSA-N 1 0 378.314 2.934 20 0 GFADRO O=C1CNC(=O)N1CCC[N@H+]1CCCC[C@H]1Cc1ccccc1Br ZINC000563289405 564184753 /nfs/dbraw/zinc/18/47/53/564184753.db2.gz MYMMKYNNEBPJLS-HNNXBMFYSA-N 1 0 394.313 2.788 20 0 GFADRO CCS(=O)(=O)C[C@H](C)[NH2+][C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1 ZINC000538218615 564185600 /nfs/dbraw/zinc/18/56/00/564185600.db2.gz XRQQEZSSVRCOON-STQMWFEESA-N 1 0 380.432 2.577 20 0 GFADRO CCOc1c(Br)cc(C[NH2+]C[C@@H]2CCOC[C@H]2OC)cc1OC ZINC000449455742 564186947 /nfs/dbraw/zinc/18/69/47/564186947.db2.gz LQMIPDLKTXEFGR-XJKSGUPXSA-N 1 0 388.302 2.998 20 0 GFADRO CO[C@@H]1COCC[C@@H]1C[NH2+]Cc1cc(Br)c2c(c1)OCCCO2 ZINC000449459532 564187927 /nfs/dbraw/zinc/18/79/27/564187927.db2.gz QKWNLHSDGWETAD-CZUORRHYSA-N 1 0 386.286 2.752 20 0 GFADRO CC[C@@](C)(C[NH2+]Cc1cc(Br)ccc1O[C@@H](C)C(=O)NC)OC ZINC000449477059 564188194 /nfs/dbraw/zinc/18/81/94/564188194.db2.gz OIAHNZPCEMRQKO-SJCJKPOMSA-N 1 0 387.318 2.867 20 0 GFADRO CO[C@H]1COCC[C@H]1C[NH2+]Cc1cc(Br)c2c(c1)OCCCO2 ZINC000449459530 564188222 /nfs/dbraw/zinc/18/82/22/564188222.db2.gz QKWNLHSDGWETAD-BBRMVZONSA-N 1 0 386.286 2.752 20 0 GFADRO CC[NH+]1CCN(c2ccccc2CNCc2nn(C)cc2Br)CC1 ZINC000449487740 564189328 /nfs/dbraw/zinc/18/93/28/564189328.db2.gz YXSCXROGTGFCEP-UHFFFAOYSA-N 1 0 392.345 2.614 20 0 GFADRO CCOc1c(Cl)cc(NC(=O)C(=O)N2CC[NH+]3CCC2CC3)cc1Cl ZINC000471221345 564189649 /nfs/dbraw/zinc/18/96/49/564189649.db2.gz SXYMVAONHVGSSX-UHFFFAOYSA-N 1 0 386.279 2.637 20 0 GFADRO CCOc1cc(Br)c(CC(=O)N2C[C@@H](C)[NH2+]C[C@H]2C)cc1OCC ZINC000505823515 564190973 /nfs/dbraw/zinc/19/09/73/564190973.db2.gz FFFPUKYIVBOXSK-CHWSQXEVSA-N 1 0 399.329 2.998 20 0 GFADRO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)Nc1ccc(Br)cc1 ZINC000563446866 564191241 /nfs/dbraw/zinc/19/12/41/564191241.db2.gz ATKGCHUISAUBOZ-ZDUSSCGKSA-N 1 0 382.302 2.624 20 0 GFADRO CN(C)S(=O)(=O)CC[NH2+]Cc1csc2c1cccc2Br ZINC000563440594 564191331 /nfs/dbraw/zinc/19/13/31/564191331.db2.gz MUVDUFCASIWDGV-UHFFFAOYSA-N 1 0 377.329 2.645 20 0 GFADRO C[NH+]1CCN(Cc2ccc(NC(=O)c3cncs3)cc2Br)CC1 ZINC000505922225 564192713 /nfs/dbraw/zinc/19/27/13/564192713.db2.gz GABYZHUSCKVEDN-UHFFFAOYSA-N 1 0 395.326 2.905 20 0 GFADRO CC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000471351353 564193606 /nfs/dbraw/zinc/19/36/06/564193606.db2.gz WQPGWYYDKFDPPG-ZIAGYGMSSA-N 1 0 396.329 2.649 20 0 GFADRO Cc1nc(NC(=O)N(C)CCC[N@@H+](C)CCN(C)C)sc1C(F)(F)F ZINC000563516168 564193920 /nfs/dbraw/zinc/19/39/20/564193920.db2.gz NKSAYFBVJZYKAL-UHFFFAOYSA-N 1 0 381.468 2.818 20 0 GFADRO CCOc1c(Br)cc(C[N@H+](CCO)[C@H]2CCO[C@H]2C)cc1OC ZINC000449678834 564195670 /nfs/dbraw/zinc/19/56/70/564195670.db2.gz QOLCZAHKQYFBAX-WFASDCNBSA-N 1 0 388.302 2.828 20 0 GFADRO CC(C)n1cc(Br)cc1C(=O)N1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000563535038 564196093 /nfs/dbraw/zinc/19/60/93/564196093.db2.gz OMBOZLPLPYKPSF-CYBMUJFWSA-N 1 0 384.318 2.659 20 0 GFADRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)Cc2ccccc2Br)C1 ZINC000471548089 564197711 /nfs/dbraw/zinc/19/77/11/564197711.db2.gz OVSDLZDGGCDKIX-MRXNPFEDSA-N 1 0 383.330 2.951 20 0 GFADRO Cc1c(C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)cnn1-c1ccc(Br)cc1 ZINC000449716071 564197754 /nfs/dbraw/zinc/19/77/54/564197754.db2.gz KFJOAOBZRCQBHQ-TZMCWYRMSA-N 1 0 377.286 2.800 20 0 GFADRO CC1(C)C[NH2+]CC[C@H]1NC(=O)c1ccn(-c2cccc(Br)c2)n1 ZINC000449704947 564197916 /nfs/dbraw/zinc/19/79/16/564197916.db2.gz JAPAKXRAGBRAIA-OAHLLOKOSA-N 1 0 377.286 2.753 20 0 GFADRO COC[C@@]1(CO)CC[N@H+](Cc2cn(-c3ccc(Br)cc3)nc2C)C1 ZINC000449701986 564198059 /nfs/dbraw/zinc/19/80/59/564198059.db2.gz TXYRSHXLHOSVGN-SFHVURJKSA-N 1 0 394.313 2.774 20 0 GFADRO [NH3+]CC[C@H](NC(=O)c1ccn(-c2cccc(Br)c2)n1)C(F)(F)F ZINC000449717583 564198764 /nfs/dbraw/zinc/19/87/64/564198764.db2.gz IJUUWUAABUFPRC-LBPRGKRZSA-N 1 0 391.191 2.644 20 0 GFADRO [NH3+]CC[C@H](NC(=O)CCOc1ccc(Br)cc1F)C(F)(F)F ZINC000449724951 564198838 /nfs/dbraw/zinc/19/88/38/564198838.db2.gz HSDHQAYMTIGIST-NSHDSACASA-N 1 0 387.171 2.753 20 0 GFADRO Cc1ccc(O[C@@H](C)C(=O)N[C@@H](CC[NH3+])C(F)(F)F)c(Br)c1 ZINC000449724178 564198849 /nfs/dbraw/zinc/19/88/49/564198849.db2.gz SOYVZVXARGEIMP-CABZTGNLSA-N 1 0 383.208 2.921 20 0 GFADRO C[C@H](CCc1ccc(I)cc1)[NH2+][C@@H]1CC[C@H](C(N)=O)C1 ZINC000449751270 564199920 /nfs/dbraw/zinc/19/99/20/564199920.db2.gz BTEWBONPNSKEJU-OSAQELSMSA-N 1 0 386.277 2.856 20 0 GFADRO CN(C)C(=O)CC[NH+]1CCN(c2ccc3cc(Br)ccc3n2)CC1 ZINC000471711889 564202214 /nfs/dbraw/zinc/20/22/14/564202214.db2.gz BHUIBHMYUSBCRF-UHFFFAOYSA-N 1 0 391.313 2.598 20 0 GFADRO O=C(Cc1cccc(I)c1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000471774191 564203951 /nfs/dbraw/zinc/20/39/51/564203951.db2.gz VCZPLWHTZKBZID-INIZCTEOSA-N 1 0 398.288 2.921 20 0 GFADRO CC[C@@H]1CC[C@@H](C)[N@@H+]1CC(=O)NCC(=O)Nc1ccccc1Br ZINC000538953219 564206854 /nfs/dbraw/zinc/20/68/54/564206854.db2.gz GIJYDIIYTGPSSY-CHWSQXEVSA-N 1 0 382.302 2.767 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)NCc1nc2c(cccc2Br)[nH]1 ZINC000563792509 564206923 /nfs/dbraw/zinc/20/69/23/564206923.db2.gz FEAUVUWXBCUBEO-LLVKDONJSA-N 1 0 380.290 2.609 20 0 GFADRO COCCN(Cc1sccc1Br)C(=O)C[C@H]1CSCC[NH2+]1 ZINC000563804952 564207827 /nfs/dbraw/zinc/20/78/27/564207827.db2.gz DGHIXSWYYQONCS-NSHDSACASA-N 1 0 393.372 2.581 20 0 GFADRO Brc1ccccc1-n1nnnc1CN1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000563799970 564208000 /nfs/dbraw/zinc/20/80/00/564208000.db2.gz ABACKOUHBDPTDI-QGZVFWFLSA-N 1 0 399.296 2.571 20 0 GFADRO CC[NH+](CC)CCN(CCOC)C(=O)c1c[nH]c2ncc(Br)cc12 ZINC000472030473 564211099 /nfs/dbraw/zinc/21/10/99/564211099.db2.gz VTSCDDAXUZOFKY-UHFFFAOYSA-N 1 0 397.317 2.756 20 0 GFADRO Cc1cc(C)c(C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)cc1Br ZINC000450059966 564215551 /nfs/dbraw/zinc/21/55/51/564215551.db2.gz VHNGVVWPRBGTCM-OAHLLOKOSA-N 1 0 381.314 2.860 20 0 GFADRO Cc1cc(Br)cc2c1CN(C[C@H](O)C[NH+]1C[C@@H](C)O[C@H](C)C1)CC2 ZINC000539327628 564216726 /nfs/dbraw/zinc/21/67/26/564216726.db2.gz AWLDXRPBVDYDRU-RKVPGOIHSA-N 1 0 397.357 2.586 20 0 GFADRO Cc1cc(Br)cc2c1CN(C[C@@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)CC2 ZINC000539327629 564216781 /nfs/dbraw/zinc/21/67/81/564216781.db2.gz AWLDXRPBVDYDRU-RVKKMQEKSA-N 1 0 397.357 2.586 20 0 GFADRO COc1ccc(C(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)c(I)c1 ZINC000472247746 564217608 /nfs/dbraw/zinc/21/76/08/564217608.db2.gz STHDIERPNJOEBB-MNOVXSKESA-N 1 0 388.249 2.512 20 0 GFADRO COc1ccc(C(=O)CCC(=O)N2C[C@H](SC)[C@@H]([NH+](C)C)C2)c(Cl)c1 ZINC000507082149 564217922 /nfs/dbraw/zinc/21/79/22/564217922.db2.gz CXBLIEGALYAPOA-RDJZCZTQSA-N 1 0 384.929 2.816 20 0 GFADRO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)[C@H]2Cc3cc(Br)ccc3O2)C1 ZINC000472257053 564218265 /nfs/dbraw/zinc/21/82/65/564218265.db2.gz LXXDSLCAFBVXLX-KBXCAEBGSA-N 1 0 393.325 2.943 20 0 GFADRO CN(Cc1c(F)cccc1Cl)S(=O)(=O)N(CC[NH+](C)C)C1CCCC1 ZINC000472319183 564221257 /nfs/dbraw/zinc/22/12/57/564221257.db2.gz UGCUPLOZFVNIEE-UHFFFAOYSA-N 1 0 391.940 2.962 20 0 GFADRO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]Cc1ccnc(N(C)C)n1 ZINC000539507579 564221778 /nfs/dbraw/zinc/22/17/78/564221778.db2.gz WVWLMZKRTZMKQP-GFCCVEGCSA-N 1 0 392.301 2.812 20 0 GFADRO C[C@H]([NH2+][C@@H]1CSC[C@@H]1C)C(=O)Nc1cccc(I)c1 ZINC000507248229 564223622 /nfs/dbraw/zinc/22/36/22/564223622.db2.gz TYXPOVZHPYTWBE-OUJBWJOFSA-N 1 0 390.290 2.959 20 0 GFADRO C[C@H]([NH2+][C@@H](C)c1cc(Cl)cc(Cl)c1)C(=O)NC[C@H]1CCS(=O)(=O)C1 ZINC000539623865 564224321 /nfs/dbraw/zinc/22/43/21/564224321.db2.gz UQSONMVCUFLCKU-SDDRHHMPSA-N 1 0 393.336 2.583 20 0 GFADRO O=C(NC[C@H]1C[C@H](O)C[N@H+]1Cc1ccccc1)c1ccsc1Br ZINC000450289408 564225717 /nfs/dbraw/zinc/22/57/17/564225717.db2.gz VBXDEMBKGRTMCI-KGLIPLIRSA-N 1 0 395.322 2.876 20 0 GFADRO Cc1ccc(C(=O)N2CC[NH+]([C@@H]3CCNC(=O)CC3)CC2)c(Cl)c1Cl ZINC000564295474 564227407 /nfs/dbraw/zinc/22/74/07/564227407.db2.gz COFBOLJQMYESMJ-ZDUSSCGKSA-N 1 0 384.307 2.728 20 0 GFADRO CC[NH+]1CCN([C@H]2CCN(c3ncnc4cc(Br)ccc43)C2)CC1 ZINC000450320170 564227949 /nfs/dbraw/zinc/22/79/49/564227949.db2.gz UFRZYSRFCDMXLF-HNNXBMFYSA-N 1 0 390.329 2.609 20 0 GFADRO Cc1cc(Br)cc(C)c1S(=O)(=O)N(C)CC[N@H+](C)C1CC1 ZINC000472702556 564231843 /nfs/dbraw/zinc/23/18/43/564231843.db2.gz SJLCZJKWQBSZCG-UHFFFAOYSA-N 1 0 375.332 2.781 20 0 GFADRO Cc1ccc(NC(=O)C(=O)N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)c(Br)c1 ZINC000507666010 564238155 /nfs/dbraw/zinc/23/81/55/564238155.db2.gz GGMOOTSYMKUYDW-KBPBESRZSA-N 1 0 394.313 2.781 20 0 GFADRO Cc1ccc(Br)c(C)c1C(=O)N[C@@H](C)CC[NH+]1CCN(C)CC1 ZINC000564593299 564240954 /nfs/dbraw/zinc/24/09/54/564240954.db2.gz LOUBTTMBVSRQGD-AWEZNQCLSA-N 1 0 382.346 2.822 20 0 GFADRO Cc1c2cc(Br)ccc2oc1C(=O)NC[C@@](C)(O)CC[NH+](C)C ZINC000473263504 564242779 /nfs/dbraw/zinc/24/27/79/564242779.db2.gz OKGGMAFNGLJIOT-KRWDZBQOSA-N 1 0 383.286 2.936 20 0 GFADRO CC(C)[C@@H]1C[N@H+](C)CCN1Cc1cn(-c2ccccc2Br)nn1 ZINC000564693671 564245537 /nfs/dbraw/zinc/24/55/37/564245537.db2.gz XKVYEGBDLIBCRS-KRWDZBQOSA-N 1 0 378.318 2.802 20 0 GFADRO COCc1cc(Cl)cc(S(=O)(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)c1 ZINC000564690142 564245650 /nfs/dbraw/zinc/24/56/50/564245650.db2.gz UXWFXZUUWFYUQA-OAHLLOKOSA-N 1 0 386.945 2.839 20 0 GFADRO Cn1cc([C@@H]([NH2+]CC(=O)Nc2ccc(Br)cn2)C(C)(C)C)cn1 ZINC000540478676 564249445 /nfs/dbraw/zinc/24/94/45/564249445.db2.gz UKHMAIKZSDQTIZ-OAHLLOKOSA-N 1 0 380.290 2.893 20 0 GFADRO CSCC[C@H]([NH3+])C(=O)NCc1cc(Cl)cc(I)c1 ZINC000564832142 564250524 /nfs/dbraw/zinc/25/05/24/564250524.db2.gz KBRQGXJYZCGZBY-NSHDSACASA-N 1 0 398.697 2.641 20 0 GFADRO CS(=O)(=O)c1ccc(NC(=O)NCC[NH+]2CCCCC2)cc1C(F)F ZINC000540534970 564251597 /nfs/dbraw/zinc/25/15/97/564251597.db2.gz PTSWXPJWZBJEJO-UHFFFAOYSA-N 1 0 375.441 2.635 20 0 GFADRO CN(CC[N@H+](C)C1CC1)C(=O)Nc1ccc(F)cc1I ZINC000473691049 564252643 /nfs/dbraw/zinc/25/26/43/564252643.db2.gz FRWBNLYXBZOFHF-UHFFFAOYSA-N 1 0 391.228 2.988 20 0 GFADRO O[C@H](C[NH2+]CCC[C@H]1CCOC1)COc1cc(F)cc(Br)c1 ZINC000564859615 564253851 /nfs/dbraw/zinc/25/38/51/564253851.db2.gz HLWAIEWQWIWMQE-SWLSCSKDSA-N 1 0 376.266 2.734 20 0 GFADRO Cc1cc(C)c(C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@H]2C)cc1Br ZINC000450964627 564256941 /nfs/dbraw/zinc/25/69/41/564256941.db2.gz GFLAISVCYJZYCA-CQSZACIVSA-N 1 0 383.330 2.983 20 0 GFADRO Cc1cc(Br)ccc1S(=O)(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000473943199 564258570 /nfs/dbraw/zinc/25/85/70/564258570.db2.gz WWHPGMXJNZXASC-CYBMUJFWSA-N 1 0 375.332 2.910 20 0 GFADRO C[C@@H](C[NH+]1CCCCC1)NS(=O)(=O)c1ccc(F)c(Br)c1 ZINC000473939131 564258856 /nfs/dbraw/zinc/25/88/56/564258856.db2.gz HIJPMIGREHUOGN-NSHDSACASA-N 1 0 379.295 2.741 20 0 GFADRO CCN(CCC[NH+](CC)CC)S(=O)(=O)c1ccc(C(=O)OC)cc1Cl ZINC000473951378 564259967 /nfs/dbraw/zinc/25/99/67/564259967.db2.gz NJPBHEAUTGQGLS-UHFFFAOYSA-N 1 0 390.933 2.869 20 0 GFADRO COc1ccc(Br)cc1CNC(=O)CCN(C)c1cc[nH+]cc1 ZINC000540927531 564260431 /nfs/dbraw/zinc/26/04/31/564260431.db2.gz IOBCQEKMDBTHRU-UHFFFAOYSA-N 1 0 378.270 2.995 20 0 GFADRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1ncc(Br)cc1Br ZINC000473995920 564261718 /nfs/dbraw/zinc/26/17/18/564261718.db2.gz UUVRYIILVLXWIC-KOLCDFICSA-N 1 0 391.107 2.611 20 0 GFADRO CCC[NH+]1CCC(NS(=O)(=O)Cc2ccc(Br)c(F)c2)CC1 ZINC000451010038 564262296 /nfs/dbraw/zinc/26/22/96/564262296.db2.gz SDDXPQYNSINESY-UHFFFAOYSA-N 1 0 393.322 2.882 20 0 GFADRO Cc1c(Br)cccc1S(=O)(=O)NCCC[NH+]1CCCCC1 ZINC000474063746 564263049 /nfs/dbraw/zinc/26/30/49/564263049.db2.gz CARNVEOYRQVWGI-UHFFFAOYSA-N 1 0 375.332 2.912 20 0 GFADRO CC[NH+]1CCC(N(C)S(=O)(=O)Cc2ccc(Br)c(F)c2)CC1 ZINC000451023776 564263624 /nfs/dbraw/zinc/26/36/24/564263624.db2.gz VGRRBTOBYXPCOC-UHFFFAOYSA-N 1 0 393.322 2.834 20 0 GFADRO COC[C@H](Cc1ccccc1)[N@H+](C)Cc1cc(Cl)cc(S(N)(=O)=O)c1 ZINC000565045263 564263657 /nfs/dbraw/zinc/26/36/57/564263657.db2.gz ZFERIGILHNWRQO-KRWDZBQOSA-N 1 0 382.913 2.677 20 0 GFADRO CC[NH+]1CCC(N(C)S(=O)(=O)c2cc(OC)cc(C(F)(F)F)c2)CC1 ZINC000451025657 564265439 /nfs/dbraw/zinc/26/54/39/564265439.db2.gz ZGVGSOHDBLIUDT-UHFFFAOYSA-N 1 0 380.432 2.819 20 0 GFADRO C[C@](CO)([NH2+]C[C@H](O)COc1cc(Cl)ccc1Cl)c1cccc(O)c1 ZINC000451035983 564266355 /nfs/dbraw/zinc/26/63/55/564266355.db2.gz HGGCPRFEXLYFHN-MAUKXSAKSA-N 1 0 386.275 2.936 20 0 GFADRO COC(=O)[C@@H]1CC[N@H+](Cc2cn(-c3ccc(Br)cc3)nc2C)C1 ZINC000508636523 564268485 /nfs/dbraw/zinc/26/84/85/564268485.db2.gz LIAMEABUYIGHPT-CYBMUJFWSA-N 1 0 378.270 2.938 20 0 GFADRO COC(=O)[C@H]1CC[N@H+](Cc2cn(-c3ccc(Br)cc3)nc2C)C1 ZINC000508636525 564268812 /nfs/dbraw/zinc/26/88/12/564268812.db2.gz LIAMEABUYIGHPT-ZDUSSCGKSA-N 1 0 378.270 2.938 20 0 GFADRO C[NH+](C)CCn1nnnc1SCc1ccc(Br)c2cccnc12 ZINC000541292304 564273324 /nfs/dbraw/zinc/27/33/24/564273324.db2.gz KBKYWDDOQAXEOE-UHFFFAOYSA-N 1 0 393.314 2.838 20 0 GFADRO C[C@@H]1CCN(C(=O)c2cnc(Sc3nccn3C)c(Cl)c2)C[C@@H]1C[NH3+] ZINC000565303710 564274574 /nfs/dbraw/zinc/27/45/74/564274574.db2.gz XQOABDQBJNXWJH-YPMHNXCESA-N 1 0 379.917 2.677 20 0 GFADRO C[C@H]1CCN(C(=O)c2cnc(Sc3nccn3C)c(Cl)c2)C[C@H]1C[NH3+] ZINC000565303709 564275050 /nfs/dbraw/zinc/27/50/50/564275050.db2.gz XQOABDQBJNXWJH-WCQYABFASA-N 1 0 379.917 2.677 20 0 GFADRO C[C@]1(CO)CCC[C@@H]1[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000474358579 564275959 /nfs/dbraw/zinc/27/59/59/564275959.db2.gz XGSZAVPLXRRTBW-ZWKOTPCHSA-N 1 0 383.330 2.926 20 0 GFADRO CN(C)[C@@H](C[NH2+]Cc1ccc(Br)cc1N1CCOCC1)C1CC1 ZINC000474366715 564276157 /nfs/dbraw/zinc/27/61/57/564276157.db2.gz CDRUGZCDFOUCBQ-SFHVURJKSA-N 1 0 382.346 2.716 20 0 GFADRO C[C@@H]([NH2+]C[C@@H](CO)Cc1ccc(Br)cc1)C(C)(C)n1cncn1 ZINC000565378277 564277713 /nfs/dbraw/zinc/27/77/13/564277713.db2.gz RARAJGBGVSWBNV-HIFRSBDPSA-N 1 0 381.318 2.605 20 0 GFADRO CCOC(=O)C[C@H](NC(=O)[C@@H]1CC[N@H+](C)C1)c1cccc(Br)c1 ZINC000541441617 564278737 /nfs/dbraw/zinc/27/87/37/564278737.db2.gz IVMLITCRCSHSER-HIFRSBDPSA-N 1 0 383.286 2.511 20 0 GFADRO Cc1nc(NC(=O)C(=O)NC[C@@H](CC(C)C)[NH+](C)C)sc1C(F)(F)F ZINC000565396587 564278876 /nfs/dbraw/zinc/27/88/76/564278876.db2.gz KWXPEDWQHGPUKQ-SNVBAGLBSA-N 1 0 380.436 2.501 20 0 GFADRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(S(=O)(=O)c2sccc2Cl)CC1 ZINC000451143962 564280009 /nfs/dbraw/zinc/28/00/09/564280009.db2.gz GYGXAUVWQLFWTM-OKILXGFUSA-N 1 0 391.990 2.581 20 0 GFADRO COCC[N@@H+]1CC[C@H](Nc2ccnn2Cc2ccccc2Br)C1 ZINC000541555397 564283321 /nfs/dbraw/zinc/28/33/21/564283321.db2.gz BOMJSJWZINKNET-HNNXBMFYSA-N 1 0 379.302 2.827 20 0 GFADRO C[C@@H](CCc1ccc(I)cc1)[NH2+]CCCS(C)(=O)=O ZINC000474719255 564286901 /nfs/dbraw/zinc/28/69/01/564286901.db2.gz JOGDZCCSMZEPEI-LBPRGKRZSA-N 1 0 395.306 2.637 20 0 GFADRO CC[C@@H](C)[C@H](C[NH2+]CCS(=O)(=O)c1cccc(Br)c1)OC ZINC000565594697 564288412 /nfs/dbraw/zinc/28/84/12/564288412.db2.gz UMWHBOZPRYEHDG-DOMZBBRYSA-N 1 0 378.332 2.874 20 0 GFADRO Cc1cc(Br)cc(C(=O)NC(C)(C)CC[NH+]2CCN(C)CC2)c1 ZINC000474800097 564289171 /nfs/dbraw/zinc/28/91/71/564289171.db2.gz FYWWBABSSNIQQW-UHFFFAOYSA-N 1 0 382.346 2.903 20 0 GFADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)c1c[nH]c2ccc(Br)cc12 ZINC000474782282 564289365 /nfs/dbraw/zinc/28/93/65/564289365.db2.gz CLZLBACNDVKLEO-ZDUSSCGKSA-N 1 0 393.329 2.686 20 0 GFADRO C[C@H](C[NH2+][C@H](Cc1ccccc1)C(N)=O)Oc1cccc(Br)c1 ZINC000541800564 564289782 /nfs/dbraw/zinc/28/97/82/564289782.db2.gz FFFNWTCERSRLSQ-CXAGYDPISA-N 1 0 377.282 2.903 20 0 GFADRO CCC[C@@H](NC(=O)NCC(=O)N1CC[NH2+]CC1)c1ccc(Cl)c(Cl)c1 ZINC000565647138 564290162 /nfs/dbraw/zinc/29/01/62/564290162.db2.gz UBLIZGYQLYHCHP-OAHLLOKOSA-N 1 0 387.311 2.566 20 0 GFADRO C[C@@H]([NH2+][C@@H]1CCOC1(C)C)C(=O)Nc1ccc(I)cc1 ZINC000451248070 564290785 /nfs/dbraw/zinc/29/07/85/564290785.db2.gz YYQMQIHADWIOKS-ZWNOBZJWSA-N 1 0 388.249 2.775 20 0 GFADRO CCC(=O)N[C@H]1CCCN(Cc2cn(-c3ccccc3Br)nn2)C1 ZINC000565688877 564291447 /nfs/dbraw/zinc/29/14/47/564291447.db2.gz VXUJUHCATBRPKH-ZDUSSCGKSA-N 1 0 392.301 2.520 20 0 GFADRO C[C@@H]([NH2+]C[C@]1(N2CCOCC2)CCSC1)c1ccc(Br)cn1 ZINC000565750581 564293721 /nfs/dbraw/zinc/29/37/21/564293721.db2.gz VDFJOXDZFVRCJQ-CZUORRHYSA-N 1 0 386.359 2.703 20 0 GFADRO O=S(=O)(c1ccc(C[NH2+][C@H]2CCCC[C@@H]2C2CC2)s1)N1CCOCC1 ZINC000541882398 564293827 /nfs/dbraw/zinc/29/38/27/564293827.db2.gz MVUWJSBXIIHEMZ-SJORKVTESA-N 1 0 384.567 2.827 20 0 GFADRO O=C(NCC[NH2+]Cc1ccc(Br)cc1C(F)(F)F)c1ccn[nH]1 ZINC000474933457 564294111 /nfs/dbraw/zinc/29/41/11/564294111.db2.gz FNKXGELOKRNNDE-UHFFFAOYSA-N 1 0 391.191 2.711 20 0 GFADRO Cc1ccc(C[N@@H+](C)CCN(C)c2ccc(S(N)(=O)=O)cc2)c(Cl)c1 ZINC000451281807 564296111 /nfs/dbraw/zinc/29/61/11/564296111.db2.gz ZYXICRDFJBAJST-UHFFFAOYSA-N 1 0 381.929 2.864 20 0 GFADRO C[C@H](NS(=O)(=O)Cc1ccc(Br)c(F)c1)C(C)(C)C[NH+](C)C ZINC000451294496 564296389 /nfs/dbraw/zinc/29/63/89/564296389.db2.gz HOHLZXLBZLWWNX-NSHDSACASA-N 1 0 395.338 2.984 20 0 GFADRO CC(C)C[C@@]1(C)CCC[N@@H+]1CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl ZINC000451291453 564296484 /nfs/dbraw/zinc/29/64/84/564296484.db2.gz OUPHYVQPPYJCGN-QGZVFWFLSA-N 1 0 387.933 2.827 20 0 GFADRO O[C@H](COc1cc(Cl)ccc1Cl)C[N@@H+]1C[C@H](O)C[C@H]1[C@H]1CCCOC1 ZINC000451294091 564296808 /nfs/dbraw/zinc/29/68/08/564296808.db2.gz BQBFLHSZXNIGDK-GUSZCTEKSA-N 1 0 390.307 2.595 20 0 GFADRO C[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCC(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000565830580 564297933 /nfs/dbraw/zinc/29/79/33/564297933.db2.gz IOPJVGSLFMUOSW-BLLLJJGKSA-N 1 0 394.313 2.624 20 0 GFADRO OC[C@@H]([NH2+]Cc1nc(-c2cccc(Br)c2)c[nH]1)[C@H]1CCCOC1 ZINC000565820966 564297937 /nfs/dbraw/zinc/29/79/37/564297937.db2.gz MVEUMNJXDMHIIM-XJKSGUPXSA-N 1 0 380.286 2.716 20 0 GFADRO COC(=O)c1ccc(Br)cc1CN1C[C@H](O)C[C@H]1[C@H]1CCCOC1 ZINC000451301801 564298079 /nfs/dbraw/zinc/29/80/79/564298079.db2.gz JWIKYOOTAZRCSC-MJEQTWJJSA-N 1 0 398.297 2.598 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCc1cn2cc(Br)ccc2n1 ZINC000475116831 564300244 /nfs/dbraw/zinc/30/02/44/564300244.db2.gz GMBSXKOHMUNMKX-OAHLLOKOSA-N 1 0 394.317 2.723 20 0 GFADRO O=C(CC(F)(F)F)N1CCC([NH2+]C2CCN(CC(F)(F)F)CC2)CC1 ZINC000509465544 564300315 /nfs/dbraw/zinc/30/03/15/564300315.db2.gz RGZSWHDGIBINOP-UHFFFAOYSA-N 1 0 375.357 2.546 20 0 GFADRO CC(C)(CCCO)C[NH2+]C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000565887424 564300819 /nfs/dbraw/zinc/30/08/19/564300819.db2.gz PVFDEQIHLVDTCR-AWEZNQCLSA-N 1 0 378.282 2.716 20 0 GFADRO CN(CC1([NH+](C)C)CCC1)C(=O)C1(c2cccc(Br)c2)CC(=O)C1 ZINC000565922634 564301547 /nfs/dbraw/zinc/30/15/47/564301547.db2.gz LPUUXXJMHASRMD-UHFFFAOYSA-N 1 0 393.325 2.993 20 0 GFADRO C[C@@H](NC(=O)N(CC[NH+](C)C)C[C@H]1CCCO1)c1ccc(Br)cn1 ZINC000475249332 564303886 /nfs/dbraw/zinc/30/38/86/564303886.db2.gz VSNYZDHRYSJIIY-UKRRQHHQSA-N 1 0 399.333 2.657 20 0 GFADRO O=C(CCOC1C[NH2+]C1)Nc1nc2ccc(OCC(F)(F)F)cc2s1 ZINC000566004361 564306049 /nfs/dbraw/zinc/30/60/49/564306049.db2.gz JIWRHQFEBJMFFR-UHFFFAOYSA-N 1 0 375.372 2.554 20 0 GFADRO C[C@@H]1CN(C(=O)[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)[C@@H](C)C[N@@H+]1C ZINC000509656653 564307688 /nfs/dbraw/zinc/30/76/88/564307688.db2.gz JHBLXKRWEQHLAN-DYEKYZERSA-N 1 0 384.307 2.897 20 0 GFADRO O=C(CN1CCSC[C@H]1CO)N[C@@H](c1cccs1)c1ccc(F)cc1 ZINC000542268949 564307852 /nfs/dbraw/zinc/30/78/52/564307852.db2.gz XCBKRNQOXXOQTC-CRAIPNDOSA-N 1 0 380.510 2.503 20 0 GFADRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)C1CCN(C(=O)c2ccc(Cl)s2)CC1 ZINC000509651474 564308199 /nfs/dbraw/zinc/30/81/99/564308199.db2.gz KRHKNVZNKQSDKG-QWHCGFSZSA-N 1 0 383.945 2.805 20 0 GFADRO C[C@H](Cc1ccccc1Br)NC(=O)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000566087715 564308278 /nfs/dbraw/zinc/30/82/78/564308278.db2.gz GFXXQFHUBDYVIJ-CJNGLKHVSA-N 1 0 391.313 2.931 20 0 GFADRO O=C(Cc1ccc(Br)cc1)N1CC[C@@H](OCC[NH+]2CCCC2)C1 ZINC000475445027 564308468 /nfs/dbraw/zinc/30/84/68/564308468.db2.gz AOBPIEOYXRTZCY-QGZVFWFLSA-N 1 0 381.314 2.705 20 0 GFADRO CS[C@@H]1CN(S(=O)(=O)C[C@H]2CCCCC2(F)F)C[C@H]1[NH+]1CCCC1 ZINC000451408187 564310593 /nfs/dbraw/zinc/31/05/93/564310593.db2.gz NBVPDAXOBQWZME-RBSFLKMASA-N 1 0 382.542 2.653 20 0 GFADRO Cc1ccc(Br)c(NC(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)c1 ZINC000509744335 564311768 /nfs/dbraw/zinc/31/17/68/564311768.db2.gz RUFQZBVJZMBSAU-XJKSGUPXSA-N 1 0 394.313 2.781 20 0 GFADRO C[NH+](C)C[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc2ncsc2c1 ZINC000475573039 564312618 /nfs/dbraw/zinc/31/26/18/564312618.db2.gz RGKRMDIOJJHCFU-OAHLLOKOSA-N 1 0 375.519 2.748 20 0 GFADRO CC[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000566179199 564314674 /nfs/dbraw/zinc/31/46/74/564314674.db2.gz AGMSKFAPSWFTCZ-GDBMZVCRSA-N 1 0 386.323 2.689 20 0 GFADRO C[C@@H](C(N)=O)[N@H+](CCOc1cccc(Br)c1)C[C@H]1CCCS1 ZINC000475689190 564316146 /nfs/dbraw/zinc/31/61/46/564316146.db2.gz QCCQWNYFWYLATL-SWLSCSKDSA-N 1 0 387.343 2.899 20 0 GFADRO CCC[C@@](C)([NH3+])C(=O)N1CCN(Cc2cc(Br)ccc2F)CC1 ZINC000566194581 564316541 /nfs/dbraw/zinc/31/65/41/564316541.db2.gz BEKUHUGGMOXXSY-QGZVFWFLSA-N 1 0 386.309 2.750 20 0 GFADRO NS(=O)(=O)c1ccc(Cl)c(NC(=O)C[NH2+][C@H](c2cccs2)C2CC2)c1 ZINC000542512109 564317386 /nfs/dbraw/zinc/31/73/86/564317386.db2.gz WBNBRVLMYLRPFT-INIZCTEOSA-N 1 0 399.925 2.728 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CCN(S(=O)(=O)Cc2cc(Cl)ccc2Br)C1 ZINC000566224307 564318426 /nfs/dbraw/zinc/31/84/26/564318426.db2.gz XAQSWNXIFPFVMV-ZJUUUORDSA-N 1 0 381.723 2.601 20 0 GFADRO CC[C@@H]1[NH2+]CC[C@H]1C(=O)NC1(c2cccc(Br)c2)CCOCC1 ZINC000566245459 564319487 /nfs/dbraw/zinc/31/94/87/564319487.db2.gz KMOGIDJRBCQDRL-CVEARBPZSA-N 1 0 381.314 2.959 20 0 GFADRO O[C@H](C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)COc1ccc(Br)cc1 ZINC000451503504 564319604 /nfs/dbraw/zinc/31/96/04/564319604.db2.gz QNINMCOTCDYRJF-XBVQOTNRSA-N 1 0 382.298 2.736 20 0 GFADRO CCS(=O)(=O)N1CCC(C[NH2+]Cc2cc(F)cc(C(F)(F)F)c2)CC1 ZINC000542708788 564321535 /nfs/dbraw/zinc/32/15/35/564321535.db2.gz RJHLFDNNCUUFOS-UHFFFAOYSA-N 1 0 382.423 2.996 20 0 GFADRO O=C(CN1CCC(CO)([NH2+]CC2CC2)CC1)Nc1ccc(Cl)c(Cl)c1 ZINC000566306097 564321743 /nfs/dbraw/zinc/32/17/43/564321743.db2.gz FSTMAEHFKHPAHS-UHFFFAOYSA-N 1 0 386.323 2.758 20 0 GFADRO CCC(C)(C)[NH2+][C@@H](C)C(=O)N[C@H](C(=O)OC)c1ccc(Br)cc1 ZINC000475902747 564323865 /nfs/dbraw/zinc/32/38/65/564323865.db2.gz DUAPQWZMIKAHMY-FZMZJTMJSA-N 1 0 385.302 2.946 20 0 GFADRO C[NH+]1CCN(c2ccc(Br)cc2NC(=O)Cc2ccoc2)CC1 ZINC000475892978 564324029 /nfs/dbraw/zinc/32/40/29/564324029.db2.gz RMVVTDIFJOUBBF-UHFFFAOYSA-N 1 0 378.270 2.975 20 0 GFADRO O=C(Nc1cccc(Br)c1)C1CC[NH+](CC[C@@H]2CCNC2=O)CC1 ZINC000566414928 564326836 /nfs/dbraw/zinc/32/68/36/564326836.db2.gz UQFXEPAVURAFJT-ZDUSSCGKSA-N 1 0 394.313 2.626 20 0 GFADRO Cc1nnc(CNC(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)s1 ZINC000542807640 564327048 /nfs/dbraw/zinc/32/70/48/564327048.db2.gz ZKONFCNTCVAXMX-UHFFFAOYSA-N 1 0 377.539 2.760 20 0 GFADRO CS(=O)(=O)N1CC[C@H](C[N@@H+]2CC[C@@H](c3cccc(Br)c3)C2)C1 ZINC000451568653 564327027 /nfs/dbraw/zinc/32/70/27/564327027.db2.gz NHLMZFAXLDDHIE-UKRRQHHQSA-N 1 0 387.343 2.520 20 0 GFADRO Ic1cnc(C[NH2+]CCN2CCc3ccccc3C2)s1 ZINC000510235898 564328311 /nfs/dbraw/zinc/32/83/11/564328311.db2.gz CFIAABMKSAVXPR-UHFFFAOYSA-N 1 0 399.301 2.896 20 0 GFADRO CN(Cc1ccccc1Br)C(=O)C[NH2+][C@H]([C@H](CO)C1CC1)C1CC1 ZINC000451589949 564329173 /nfs/dbraw/zinc/32/91/73/564329173.db2.gz LPEHYAYNJVNVDK-APWZRJJASA-N 1 0 395.341 2.794 20 0 GFADRO COCC[C@H](Cc1cccc(Br)c1)C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000510409896 564332996 /nfs/dbraw/zinc/33/29/96/564332996.db2.gz VMPRNGYAIGQCEW-CRAIPNDOSA-N 1 0 383.330 2.842 20 0 GFADRO C[NH+](C)CC1(NC(=O)c2ccc(I)cc2F)CCC1 ZINC000451637987 564334097 /nfs/dbraw/zinc/33/40/97/564334097.db2.gz YCALFMLFIVESHN-UHFFFAOYSA-N 1 0 376.213 2.644 20 0 GFADRO CC(C)[NH2+]CCCNC(=O)C(=O)NCC(C)(C)c1c(Cl)cccc1Cl ZINC000566610121 564334602 /nfs/dbraw/zinc/33/46/02/564334602.db2.gz DFMOXOZQPFOWLH-UHFFFAOYSA-N 1 0 388.339 2.892 20 0 GFADRO C[C@@H](NC(=O)c1ccc(CC[NH+](C)C)cc1)c1ncc(Br)cn1 ZINC000566630869 564335577 /nfs/dbraw/zinc/33/55/77/564335577.db2.gz PYPKNFWJQRAVAW-GFCCVEGCSA-N 1 0 377.286 2.834 20 0 GFADRO O=S(=O)(NCC1([NH+]2CCCC2)CCOCC1)c1ccc(Cl)cc1Cl ZINC000566655597 564336109 /nfs/dbraw/zinc/33/61/09/564336109.db2.gz SBANMNGFJAUZMN-UHFFFAOYSA-N 1 0 393.336 2.917 20 0 GFADRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1S(=O)(=O)N(C)Cc1c(F)cccc1Cl ZINC000510518829 564336666 /nfs/dbraw/zinc/33/66/66/564336666.db2.gz QTWPRTNJVBQUOG-UONOGXRCSA-N 1 0 389.924 2.714 20 0 GFADRO Cn1cc(N2CC[C@@H]([NH2+][C@H]3CCCc4c(Br)cccc43)C2=O)cn1 ZINC000543114217 564338305 /nfs/dbraw/zinc/33/83/05/564338305.db2.gz MCLSGUWCZCNRIZ-DLBZAZTESA-N 1 0 389.297 2.955 20 0 GFADRO OCC1(C[NH2+]C[C@@H](O)COc2ccc(Br)cc2)CC2(CCC2)C1 ZINC000566678712 564338370 /nfs/dbraw/zinc/33/83/70/564338370.db2.gz IYXQHMLJAWUIMC-OAHLLOKOSA-N 1 0 384.314 2.721 20 0 GFADRO C[C@@H]1CN(C[C@@H](O)C[NH2+]Cc2cc(Cl)cc(Br)c2)C[C@@H](C)O1 ZINC000566673964 564338442 /nfs/dbraw/zinc/33/84/42/564338442.db2.gz JTEVDXYEKJYHNH-HSMVNMDESA-N 1 0 391.737 2.662 20 0 GFADRO O=C1C[C@H]([NH2+]C[C@H](O)COCc2cccs2)CN1c1ccccc1Cl ZINC000566673531 564338557 /nfs/dbraw/zinc/33/85/57/564338557.db2.gz PPFDVKHEEDDOHV-KBPBESRZSA-N 1 0 380.897 2.674 20 0 GFADRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1S(=O)(=O)c1cc(Br)ccc1F ZINC000510554956 564338592 /nfs/dbraw/zinc/33/85/92/564338592.db2.gz SPCFAWJFAVSBHO-WCQYABFASA-N 1 0 391.306 2.836 20 0 GFADRO C[C@@H](Cc1cnccn1)[NH2+][C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000566779655 564343109 /nfs/dbraw/zinc/34/31/09/564343109.db2.gz JNPJEQSVVMOCJX-BLLLJJGKSA-N 1 0 375.270 2.565 20 0 GFADRO C[NH2+][C@@H](CC(C)(C)C)C(=O)NCC(=O)Nc1ccc(Br)c(C)c1 ZINC000566794575 564343749 /nfs/dbraw/zinc/34/37/49/564343749.db2.gz LVMDDXYWLKZGRI-AWEZNQCLSA-N 1 0 384.318 2.836 20 0 GFADRO C[C@@H](CCNS(=O)(=O)c1ccc(Br)cc1)[NH+]1CCCCC1 ZINC000543245440 564343753 /nfs/dbraw/zinc/34/37/53/564343753.db2.gz POPVZVGPEXNNPE-ZDUSSCGKSA-N 1 0 375.332 2.992 20 0 GFADRO CCOc1cc(C[NH2+]Cc2cnc(C)[nH]c2=O)cc(Br)c1OC ZINC000543240289 564343918 /nfs/dbraw/zinc/34/39/18/564343918.db2.gz RNPZUOKXINAQMB-UHFFFAOYSA-N 1 0 382.258 2.950 20 0 GFADRO Cc1cc(S(=O)(=O)NCC[NH2+]Cc2cc(-n3ccnc3)cs2)c(C)s1 ZINC000543240202 564344170 /nfs/dbraw/zinc/34/41/70/564344170.db2.gz SFUJPKUGXIMKHP-UHFFFAOYSA-N 1 0 396.563 2.680 20 0 GFADRO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)Nc1cc(Br)cnc1-n1cccn1 ZINC000566826263 564344517 /nfs/dbraw/zinc/34/45/17/564344517.db2.gz HYUIKQPKCAZDKX-GFCCVEGCSA-N 1 0 395.305 2.880 20 0 GFADRO Cc1cc(OCCC[C@@H](C)[NH2+]CC2(O)CCS(=O)(=O)CC2)ccc1Cl ZINC000510708109 564345183 /nfs/dbraw/zinc/34/51/83/564345183.db2.gz ZRUMESFKOFDXAD-OAHLLOKOSA-N 1 0 389.945 2.725 20 0 GFADRO CS(=O)(=O)N[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCc2c1cccc2Br ZINC000510812985 564347233 /nfs/dbraw/zinc/34/72/33/564347233.db2.gz PMJZRZJBROCGIY-HRCADAONSA-N 1 0 387.343 2.886 20 0 GFADRO C[C@H](C1CC[NH+](C)CC1)N(C)S(=O)(=O)c1cccc(Br)c1F ZINC000543394638 564348600 /nfs/dbraw/zinc/34/86/00/564348600.db2.gz WECBMRUIKZIBCW-LLVKDONJSA-N 1 0 393.322 2.939 20 0 GFADRO COc1cc(Br)c(NC(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)cc1OC ZINC000566921026 564349839 /nfs/dbraw/zinc/34/98/39/564349839.db2.gz DYYAWGTUXQPSPJ-LLVKDONJSA-N 1 0 384.274 2.825 20 0 GFADRO C[C@H]([NH2+]CC(=O)N(C)CCOc1ccc(Br)cc1)[C@@H]1CCCOC1 ZINC000543508204 564353235 /nfs/dbraw/zinc/35/32/35/564353235.db2.gz IPEDHTQYBZQNEH-LSDHHAIUSA-N 1 0 399.329 2.691 20 0 GFADRO CCC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1ccc(OC)c(Br)c1 ZINC000511009532 564353807 /nfs/dbraw/zinc/35/38/07/564353807.db2.gz HPRKLMWLQDXZDE-LBPRGKRZSA-N 1 0 391.331 2.610 20 0 GFADRO CC1(C)C[C@@H](O)CC[N@H+](C[C@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000451815976 564354922 /nfs/dbraw/zinc/35/49/22/564354922.db2.gz WLJVFRQGOUPORL-GJZGRUSLSA-N 1 0 390.293 2.811 20 0 GFADRO C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1 ZINC000476854661 564355548 /nfs/dbraw/zinc/35/55/48/564355548.db2.gz KCIFTGOXHYCSQC-UKRRQHHQSA-N 1 0 386.323 2.657 20 0 GFADRO COC(=O)c1coc(C[NH2+]CCC(=O)Nc2ccc(Br)cc2)c1 ZINC000543620640 564356610 /nfs/dbraw/zinc/35/66/10/564356610.db2.gz WQSSNPKBBNMVIC-UHFFFAOYSA-N 1 0 381.226 2.947 20 0 GFADRO C[NH+]1CCC(CCNC(=O)C2(c3cccc(Br)c3)CC(=O)C2)CC1 ZINC000567088389 564356636 /nfs/dbraw/zinc/35/66/36/564356636.db2.gz GYIXRMOPYNYZIS-UHFFFAOYSA-N 1 0 393.325 2.898 20 0 GFADRO CCS(=O)(=O)N1CCC(C[NH2+]Cc2csc(-c3ccccc3)n2)CC1 ZINC000543644892 564357304 /nfs/dbraw/zinc/35/73/04/564357304.db2.gz UBSYBIIZSKPDDN-UHFFFAOYSA-N 1 0 379.551 2.961 20 0 GFADRO O=C(NCC[C@H]1CCC[NH2+]1)NC[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000567147969 564359341 /nfs/dbraw/zinc/35/93/41/564359341.db2.gz UTBKTLLTEOWOCH-GOEBONIOSA-N 1 0 395.345 2.717 20 0 GFADRO CSC1(CNC(=O)Cc2ccc(OC(F)F)c(F)c2)CC[NH+](C)CC1 ZINC000451849514 564359417 /nfs/dbraw/zinc/35/94/17/564359417.db2.gz KUMXPWKCNBFFJB-UHFFFAOYSA-N 1 0 376.444 2.913 20 0 GFADRO CSC[C@@H]([NH2+]C[C@H]1CS(=O)(=O)CCO1)c1ccc(C(F)(F)F)cc1 ZINC000543773832 564363108 /nfs/dbraw/zinc/36/31/08/564363108.db2.gz DALLGBAVQRLSKK-UONOGXRCSA-N 1 0 383.457 2.513 20 0 GFADRO C[C@@H](Oc1cccc(Br)c1)C(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000567268568 564363887 /nfs/dbraw/zinc/36/38/87/564363887.db2.gz HLSMFKKCQAJSII-JLZZUVOBSA-N 1 0 397.313 2.571 20 0 GFADRO COc1ccc(Cl)cc1NC(=O)CC[N@@H+]1CC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000451902530 564364551 /nfs/dbraw/zinc/36/45/51/564364551.db2.gz HZVBVDSARQXLGK-BMIGLBTASA-N 1 0 380.794 2.922 20 0 GFADRO CN(Cc1ccccc1Br)C(=O)C[N@@H+]1CCC[C@]2(CCOC2)C1 ZINC000451902110 564364920 /nfs/dbraw/zinc/36/49/20/564364920.db2.gz NBGSSBJQMHRQSU-SFHVURJKSA-N 1 0 381.314 2.910 20 0 GFADRO O=C1CC[C@H]([NH+]2CCN(CCOc3cc(Cl)ccc3Cl)CC2)CCN1 ZINC000451915303 564366436 /nfs/dbraw/zinc/36/64/36/564366436.db2.gz HPCIJSLHTBXATJ-HNNXBMFYSA-N 1 0 386.323 2.659 20 0 GFADRO COC[C@]1(CO)CC[N@@H+]([C@@H](C)C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)C1 ZINC000451921378 564367335 /nfs/dbraw/zinc/36/73/35/564367335.db2.gz BUTKPZNOMATMQY-FHSNZYRGSA-N 1 0 389.323 2.890 20 0 GFADRO O=C1CC[C@H]([NH+]2CCN(CCOc3c(Cl)cccc3Cl)CC2)CCN1 ZINC000451921177 564367673 /nfs/dbraw/zinc/36/76/73/564367673.db2.gz ZKILJESAHPMYEZ-AWEZNQCLSA-N 1 0 386.323 2.659 20 0 GFADRO CCC[C@@H](C)C(=O)NCC[NH2+]CCC(=O)Nc1cccc(Br)c1 ZINC000567378559 564368928 /nfs/dbraw/zinc/36/89/28/564368928.db2.gz LDBDKAHTVYYKGO-CYBMUJFWSA-N 1 0 384.318 2.920 20 0 GFADRO C[C@H]1CC[N@H+](C)CCN1C(=O)c1ccc(F)c(I)c1 ZINC000477227310 564369861 /nfs/dbraw/zinc/36/98/61/564369861.db2.gz FIVKOIFXFKZJMS-JTQLQIEISA-N 1 0 376.213 2.597 20 0 GFADRO C[C@@H](CC[NH3+])NC(=O)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000477319556 564373268 /nfs/dbraw/zinc/37/32/68/564373268.db2.gz OVAUEZQTLYTKEC-JTQLQIEISA-N 1 0 378.826 2.824 20 0 GFADRO C[C@](CO)([NH2+]CC(=O)N1CCc2ccccc21)c1ccc(Br)cc1 ZINC000511548434 564375060 /nfs/dbraw/zinc/37/50/60/564375060.db2.gz YQKAAXWIOWACOX-LJQANCHMSA-N 1 0 389.293 2.836 20 0 GFADRO CS(=O)(=O)c1ccc(Cl)c(NC(=O)C[NH2+]C2(c3ccccc3)CC2)c1 ZINC000477414478 564376136 /nfs/dbraw/zinc/37/61/36/564376136.db2.gz PMZKCSDILMKLFL-UHFFFAOYSA-N 1 0 378.881 2.961 20 0 GFADRO COC[C@@]1(CNC(=O)[C@H](C)Cc2ccc(F)c(Br)c2)CCC[NH2+]1 ZINC000567580898 564378636 /nfs/dbraw/zinc/37/86/36/564378636.db2.gz AVKIJRVWNGBDBA-PXAZEXFGSA-N 1 0 387.293 2.652 20 0 GFADRO CO[C@@H]1[C@H]2C[C@H]3C[N@H+](CC(=O)N(C)Cc4ccccc4Br)[C@H]1[C@H]3C2 ZINC000511663729 564379194 /nfs/dbraw/zinc/37/91/94/564379194.db2.gz MLBXMDLJENZGQX-UNTXSKPGSA-N 1 0 393.325 2.763 20 0 GFADRO CCS(=O)(=O)c1ccc(C(=O)Nc2nc(C3CC[NH2+]CC3)cs2)cc1 ZINC000567658898 564381104 /nfs/dbraw/zinc/38/11/04/564381104.db2.gz SLKVXPIFZPXSCO-UHFFFAOYSA-N 1 0 379.507 2.656 20 0 GFADRO CN(C(=O)c1cccn1-c1cccc(I)c1)[C@@H]1CC[NH2+]C1 ZINC000567669388 564382397 /nfs/dbraw/zinc/38/23/97/564382397.db2.gz FTUPGUYCFWZTLZ-CQSZACIVSA-N 1 0 395.244 2.516 20 0 GFADRO COC(=O)[C@@H](c1cc(Cl)cc(Cl)c1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000477648056 564382706 /nfs/dbraw/zinc/38/27/06/564382706.db2.gz XCYXQQMPRIINFK-CXAGYDPISA-N 1 0 387.307 2.862 20 0 GFADRO C[C@@H]1C[C@H]([NH2+]C[C@H](O)COc2cc(F)cc(Br)c2)CN1C1CC1 ZINC000567685025 564382940 /nfs/dbraw/zinc/38/29/40/564382940.db2.gz UDKLJOYXXKFPNY-WPGHFRTFSA-N 1 0 387.293 2.543 20 0 GFADRO COC(=O)[C@@H](c1cc(Cl)cc(Cl)c1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000477648064 564383239 /nfs/dbraw/zinc/38/32/39/564383239.db2.gz XCYXQQMPRIINFK-SUMWQHHRSA-N 1 0 387.307 2.862 20 0 GFADRO CCOC(=O)CC[C@H](O)C[NH2+][C@@H](C)Cc1cc(Br)ccc1F ZINC000567685639 564383358 /nfs/dbraw/zinc/38/33/58/564383358.db2.gz HHLWGGYRSWMAGP-FZMZJTMJSA-N 1 0 376.266 2.813 20 0 GFADRO C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](c1cc(Cl)cc(Cl)c1)N1CCOCC1 ZINC000511838118 564384009 /nfs/dbraw/zinc/38/40/09/564384009.db2.gz LNDKDCVELBNPGQ-IAGOWNOFSA-N 1 0 386.323 2.577 20 0 GFADRO COc1cccc(OC)c1C[NH2+]C[C@H](O)COc1ccccc1Br ZINC000512051462 564390376 /nfs/dbraw/zinc/39/03/76/564390376.db2.gz HYCUIWUCPUXIKN-ZDUSSCGKSA-N 1 0 396.281 2.996 20 0 GFADRO Ic1cnc(C[NH2+][C@@H]2CCOC3(CCOCC3)C2)s1 ZINC000512068309 564390464 /nfs/dbraw/zinc/39/04/64/564390464.db2.gz QMARQBGVSOJVIB-SNVBAGLBSA-N 1 0 394.278 2.566 20 0 GFADRO CN(C1CCCCC1)S(=O)(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000452093061 564390571 /nfs/dbraw/zinc/39/05/71/564390571.db2.gz GBHYGXJMWZIRSB-UHFFFAOYSA-N 1 0 385.496 2.844 20 0 GFADRO C[C@H]([NH2+][C@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1)C1CC1 ZINC000477914795 564390588 /nfs/dbraw/zinc/39/05/88/564390588.db2.gz AEHVGRVWESMILF-WFASDCNBSA-N 1 0 387.343 2.990 20 0 GFADRO CCOCCOC[C@@H](O)C[NH2+][C@@H]1CCc2c1cc(Br)cc2F ZINC000477937432 564390624 /nfs/dbraw/zinc/39/06/24/564390624.db2.gz ZTZBPOFPYCNQHN-BLLLJJGKSA-N 1 0 376.266 2.579 20 0 GFADRO Cc1sc2nc(C)nc(SCC(=O)N3CC[C@H]4[NH2+]CC[C@@H]4C3)c2c1C ZINC000567814004 564390708 /nfs/dbraw/zinc/39/07/08/564390708.db2.gz VYXAZCFOURASDM-ZIAGYGMSSA-N 1 0 376.551 2.919 20 0 GFADRO Ic1cnc(C[NH2+][C@H]2CCOC3(CCOCC3)C2)s1 ZINC000512068308 564390830 /nfs/dbraw/zinc/39/08/30/564390830.db2.gz QMARQBGVSOJVIB-JTQLQIEISA-N 1 0 394.278 2.566 20 0 GFADRO Cc1cc(Br)c(S(=O)(=O)N(C)[C@H]2CC[N@@H+](C(C)C)C2)s1 ZINC000452098614 564391576 /nfs/dbraw/zinc/39/15/76/564391576.db2.gz AQQNUDXJFRYZKK-NSHDSACASA-N 1 0 381.361 2.922 20 0 GFADRO COc1ccc(Br)c(CC(=O)N2CCC3(CC[NH2+]CC3)CC2)c1 ZINC000477952529 564391809 /nfs/dbraw/zinc/39/18/09/564391809.db2.gz WZCLSFVQYQTKSG-UHFFFAOYSA-N 1 0 381.314 2.992 20 0 GFADRO O=C(COc1ccc(Br)cc1F)N1CCC2(CC[NH2+]CC2)CC1 ZINC000477970199 564392276 /nfs/dbraw/zinc/39/22/76/564392276.db2.gz VMAGZZAZBKUNLB-UHFFFAOYSA-N 1 0 385.277 2.959 20 0 GFADRO O=S(=O)(Cc1ccc(Cl)cc1Br)NCC[C@@H]1CC[NH2+]C1 ZINC000567850654 564392654 /nfs/dbraw/zinc/39/26/54/564392654.db2.gz ZKFYSQKJNZWBLM-JTQLQIEISA-N 1 0 381.723 2.522 20 0 GFADRO C[N@@H+]1CC[C@@H]2CCN(Cc3cn(-c4ccccc4Br)nn3)[C@H]2C1 ZINC000567884029 564394377 /nfs/dbraw/zinc/39/43/77/564394377.db2.gz RJTXQTTWGRYBTB-DYVFJYSZSA-N 1 0 376.302 2.556 20 0 GFADRO CN(Cc1cc(Br)cs1)C(=O)CN1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000567891290 564394476 /nfs/dbraw/zinc/39/44/76/564394476.db2.gz XKJYFSFSDPLSAE-GLQYFDAESA-N 1 0 386.359 2.528 20 0 GFADRO C[C@H]1CN(C(=O)[C@H]2Cc3cc(Br)ccc3O2)CC[N@@H+](C2CC2)C1 ZINC000452167160 564397232 /nfs/dbraw/zinc/39/72/32/564397232.db2.gz BJVIJRJYNYBWNK-SJKOYZFVSA-N 1 0 379.298 2.695 20 0 GFADRO OCC1([NH2+]C[C@H](O)COc2ccc(Cl)cc2Cl)Cc2ccccc2C1 ZINC000512333888 564397940 /nfs/dbraw/zinc/39/79/40/564397940.db2.gz YFXKIMPKQZIDGQ-INIZCTEOSA-N 1 0 382.287 2.853 20 0 GFADRO C[C@H](Cc1ccc(Br)cc1)C(=O)N[C@H](CO)C[NH+]1CCCCC1 ZINC000512394360 564399740 /nfs/dbraw/zinc/39/97/40/564399740.db2.gz CIMQQSYLLKHTEW-PBHICJAKSA-N 1 0 383.330 2.591 20 0 GFADRO Cc1nnc([C@@H](C)[NH2+]C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)s1 ZINC000544828716 564400514 /nfs/dbraw/zinc/40/05/14/564400514.db2.gz YEUTVBQLIMXBIK-CYBMUJFWSA-N 1 0 380.539 2.659 20 0 GFADRO CC[N@@H+]1CCCC[C@@H]1CNS(=O)(=O)c1cc(Br)cc(OC)c1 ZINC000544841968 564401633 /nfs/dbraw/zinc/40/16/33/564401633.db2.gz UVJRDUQAGOJEQQ-CYBMUJFWSA-N 1 0 391.331 2.610 20 0 GFADRO COc1c[nH+]ccc1N1CCN(C(=O)c2ccc(Br)cc2F)CC1 ZINC000478457464 564403090 /nfs/dbraw/zinc/40/30/90/564403090.db2.gz YUCATMLRUAETNB-UHFFFAOYSA-N 1 0 394.244 2.954 20 0 GFADRO COCC1(C(=O)N[C@@H](C)c2ccc(Br)cc2OC)CC[NH2+]CC1 ZINC000568085749 564404534 /nfs/dbraw/zinc/40/45/34/564404534.db2.gz WZJVAIMVXWFOLP-LBPRGKRZSA-N 1 0 385.302 2.651 20 0 GFADRO C[N@H+](CC(=O)N[C@@H](CO)c1ccc(Cl)cc1C(F)(F)F)[C@@H]1CCSC1 ZINC000478495186 564404698 /nfs/dbraw/zinc/40/46/98/564404698.db2.gz WSUSIARBJNOFSK-RISCZKNCSA-N 1 0 396.862 2.946 20 0 GFADRO CC(C)(C)OC(=O)[C@](C)(O)C[NH2+][C@@H]1CCc2cccc(Br)c2C1 ZINC000512552463 564405494 /nfs/dbraw/zinc/40/54/94/564405494.db2.gz ORAYGCSPCCFNKX-FZKQIMNGSA-N 1 0 384.314 2.989 20 0 GFADRO O=C(NC[C@@H]1CCC[N@H+]1CCCO)C1(Cc2ccccc2Br)CC1 ZINC000452346476 564406998 /nfs/dbraw/zinc/40/69/98/564406998.db2.gz VYHDLRVLZPFWPO-INIZCTEOSA-N 1 0 395.341 2.735 20 0 GFADRO O=C(NC[C@@H]1CCC[N@H+]1CCCO)c1cc(Cl)cc(F)c1Br ZINC000452348804 564407090 /nfs/dbraw/zinc/40/70/90/564407090.db2.gz AWDKBEVMJUEBMS-NSHDSACASA-N 1 0 393.684 2.818 20 0 GFADRO O=C(NC[C@H]1CCC[N@H+]1CCCO)c1cc2c(Br)cccc2cn1 ZINC000452345933 564407206 /nfs/dbraw/zinc/40/72/06/564407206.db2.gz STSGXXPMYAASIL-CQSZACIVSA-N 1 0 392.297 2.574 20 0 GFADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)c1cccc2cccc(Br)c21 ZINC000512677459 564408516 /nfs/dbraw/zinc/40/85/16/564408516.db2.gz JIBXGYKLPQECPK-AWEZNQCLSA-N 1 0 376.298 2.578 20 0 GFADRO CC[NH+](CC)CC[C@H](CO)NC(=O)c1cc2c(Br)cccc2cn1 ZINC000568216019 564408944 /nfs/dbraw/zinc/40/89/44/564408944.db2.gz JCMIVXQAHZGHCL-CQSZACIVSA-N 1 0 394.313 2.820 20 0 GFADRO C[C@H](CC(=O)NC[C@@H]1CCC[N@@H+]1CCCO)c1ccc(Br)cc1 ZINC000452359491 564409226 /nfs/dbraw/zinc/40/92/26/564409226.db2.gz HLOYKJQZMXIQJF-PBHICJAKSA-N 1 0 383.330 2.906 20 0 GFADRO CCCC[N@H+](C)CCNC(=O)N(CCO)Cc1ccc(Br)s1 ZINC000478634813 564409974 /nfs/dbraw/zinc/40/99/74/564409974.db2.gz WKXSUTKAMCHDCT-UHFFFAOYSA-N 1 0 392.363 2.746 20 0 GFADRO CN(CCOc1ccc(Br)cc1)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000568233858 564410262 /nfs/dbraw/zinc/41/02/62/564410262.db2.gz KQZRLQAIACZKDR-IJEWVQPXSA-N 1 0 396.329 2.857 20 0 GFADRO Cc1ccc(I)cc1C(=O)NCC[N@H+]1CC=C(C)CC1 ZINC000545161964 564410416 /nfs/dbraw/zinc/41/04/16/564410416.db2.gz RGVCRFZZTJHQJX-UHFFFAOYSA-N 1 0 384.261 2.981 20 0 GFADRO CCn1ccnc1[C@@H](C)[NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000568255507 564410999 /nfs/dbraw/zinc/41/09/99/564410999.db2.gz KJNBRGXQHUMBLM-BXUZGUMPSA-N 1 0 386.265 2.895 20 0 GFADRO C[C@@H](CC(=O)N[C@H]1CCC[N@H+](CCCO)C1)c1ccc(Br)cc1 ZINC000452381106 564411148 /nfs/dbraw/zinc/41/11/48/564411148.db2.gz IQKJFTTZAUQXDV-YOEHRIQHSA-N 1 0 383.330 2.906 20 0 GFADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2cc(Cl)c(F)cc2Cl)CC1 ZINC000478745835 564413572 /nfs/dbraw/zinc/41/35/72/564413572.db2.gz LWUPDFNNAPUGII-HNNXBMFYSA-N 1 0 388.270 2.511 20 0 GFADRO CN1C(=O)C[C@H](C(=O)NCC[NH+]2CCCC2)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000478736851 564413628 /nfs/dbraw/zinc/41/36/28/564413628.db2.gz DCBDBGAPXGIENW-GUYCJALGSA-N 1 0 384.307 2.725 20 0 GFADRO CS(=O)(=O)N[C@@H]1CCCC[C@H]1C[NH2+]Cc1ccc(OC(F)(F)F)cc1 ZINC000512849351 564413912 /nfs/dbraw/zinc/41/39/12/564413912.db2.gz DHZDKNGCPZKFFM-DZGCQCFKSA-N 1 0 380.432 2.783 20 0 GFADRO Cc1cc(Br)ccc1C[NH2+]C[C@H]1CCCC[C@H]1NS(C)(=O)=O ZINC000512848961 564413994 /nfs/dbraw/zinc/41/39/94/564413994.db2.gz AQCQECBKOMTAOF-GDBMZVCRSA-N 1 0 389.359 2.955 20 0 GFADRO Cc1ccncc1C[NH2+]CCCNS(=O)(=O)c1ccccc1Br ZINC000512869811 564414844 /nfs/dbraw/zinc/41/48/44/564414844.db2.gz YKXREWLVTBQIBZ-UHFFFAOYSA-N 1 0 398.326 2.611 20 0 GFADRO CCn1ccnc1[C@H]1CCCCN1C(=O)NCc1nn(C)cc1Br ZINC000568364805 564415698 /nfs/dbraw/zinc/41/56/98/564415698.db2.gz YHZHHUBNZMQCMY-CQSZACIVSA-N 1 0 395.305 2.836 20 0 GFADRO COc1cc(OC)c(S(=O)(=O)N2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc1Cl ZINC000568375336 564416703 /nfs/dbraw/zinc/41/67/03/564416703.db2.gz HEHGLDXXCAZJID-GXTWGEPZSA-N 1 0 388.917 2.510 20 0 GFADRO Cc1cc(C[NH2+]C[C@H]2CCCCN2S(C)(=O)=O)c(OC(F)F)cc1C ZINC000512972183 564416853 /nfs/dbraw/zinc/41/68/53/564416853.db2.gz QQAYBQOEIOSLPX-OAHLLOKOSA-N 1 0 376.469 2.809 20 0 GFADRO Cc1cc(C[NH2+]C[C@@H]2CCCCN2S(C)(=O)=O)c(OC(F)F)cc1C ZINC000512972177 564416858 /nfs/dbraw/zinc/41/68/58/564416858.db2.gz QQAYBQOEIOSLPX-HNNXBMFYSA-N 1 0 376.469 2.809 20 0 GFADRO COc1ccccc1-n1nccc1C[NH2+]CCn1cc(Br)cn1 ZINC000513026783 564417875 /nfs/dbraw/zinc/41/78/75/564417875.db2.gz FTWLRFPETXFXBB-UHFFFAOYSA-N 1 0 376.258 2.630 20 0 GFADRO Fc1ccc(C[NH2+]C[C@H](N2CCOCC2)C(F)(F)F)c(Br)c1 ZINC000513021922 564418172 /nfs/dbraw/zinc/41/81/72/564418172.db2.gz MCKVHVMQHUFBTC-ZDUSSCGKSA-N 1 0 385.199 2.941 20 0 GFADRO COCC[N@H+](C)CCNC(=O)N(C)Cc1ccc(Br)cc1Cl ZINC000478892496 564418289 /nfs/dbraw/zinc/41/82/89/564418289.db2.gz MMEDSBCAXMXYNM-UHFFFAOYSA-N 1 0 392.725 2.822 20 0 GFADRO CNC(=O)COc1cccc(C[NH2+]Cc2cccc(Br)c2OC)c1 ZINC000513096498 564420275 /nfs/dbraw/zinc/42/02/75/564420275.db2.gz VFMNFOGBLQTFEI-UHFFFAOYSA-N 1 0 393.281 2.872 20 0 GFADRO O=C(CC[C@H]1CC[NH2+]C1)NCc1nc(-c2cccc(Br)c2)no1 ZINC000568507486 564422442 /nfs/dbraw/zinc/42/24/42/564422442.db2.gz BFYDMEBAQULMRT-NSHDSACASA-N 1 0 379.258 2.505 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)C(=O)NCCc1c(Cl)cccc1Cl ZINC000479048753 564422873 /nfs/dbraw/zinc/42/28/73/564422873.db2.gz NPKJQFRSRYLPGK-ZDUSSCGKSA-N 1 0 386.323 2.595 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1ccc(I)c(O)c1 ZINC000545454137 564423596 /nfs/dbraw/zinc/42/35/96/564423596.db2.gz SIKFIQXJMOKHRQ-LLVKDONJSA-N 1 0 388.249 2.601 20 0 GFADRO C[C@H]([NH2+]C[C@@H](O)CN1C[C@@H](C)O[C@H](C)C1)c1ccc(Br)cc1F ZINC000568568008 564425212 /nfs/dbraw/zinc/42/52/12/564425212.db2.gz AULHUFNXBHYFNX-GUIRCDHDSA-N 1 0 389.309 2.709 20 0 GFADRO CC(C)C[NH+]1CCN(C(=O)[C@H](NC(=O)c2ccc(Cl)s2)C(C)C)CC1 ZINC000513269704 564425624 /nfs/dbraw/zinc/42/56/24/564425624.db2.gz YTMVVPZBHXNVAR-MRXNPFEDSA-N 1 0 385.961 2.956 20 0 GFADRO Cc1c([C@H](C)[NH2+]CCc2ccn(C)n2)nnn1-c1cccc(Br)c1 ZINC000545519680 564427543 /nfs/dbraw/zinc/42/75/43/564427543.db2.gz UNCKAFHKJVTVJJ-LBPRGKRZSA-N 1 0 389.301 2.965 20 0 GFADRO C[C@@H](CN1CCOCC1)[NH2+][C@@H](C)c1ccc(F)c(I)c1 ZINC000453061330 564445963 /nfs/dbraw/zinc/44/59/63/564445963.db2.gz OXKOIBWEXISZOC-RYUDHWBXSA-N 1 0 392.256 2.802 20 0 GFADRO COCCC[N@H+](C)CCNC(=O)c1cc(Cl)c(Br)cc1OC ZINC000568633486 564427860 /nfs/dbraw/zinc/42/78/60/564427860.db2.gz BZCCQFQLYDZESE-UHFFFAOYSA-N 1 0 393.709 2.809 20 0 GFADRO COCC1(CNC(=O)[C@@H]2CCc3cc(Br)ccc32)CC[NH2+]CC1 ZINC000568629129 564428053 /nfs/dbraw/zinc/42/80/53/564428053.db2.gz AMFBWZALOFUPLP-MRXNPFEDSA-N 1 0 381.314 2.611 20 0 GFADRO CC(=O)c1cc(Br)ccc1OCC(=O)N(C)[C@H]1CCC[N@H+](C)C1 ZINC000513479592 564430253 /nfs/dbraw/zinc/43/02/53/564430253.db2.gz OKDCQJORNYCOJE-AWEZNQCLSA-N 1 0 383.286 2.583 20 0 GFADRO COc1cc(OC)c(NC(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1Br ZINC000568734799 564432505 /nfs/dbraw/zinc/43/25/05/564432505.db2.gz ZSNOQMMMZBKDDY-TXEJJXNPSA-N 1 0 398.301 2.930 20 0 GFADRO Cc1c(C(=O)N[C@@H](CC[NH3+])C(F)F)cnn1-c1cccc(Br)c1 ZINC000568761454 564433172 /nfs/dbraw/zinc/43/31/72/564433172.db2.gz UKJRKPNGAZACPG-ZDUSSCGKSA-N 1 0 387.228 2.656 20 0 GFADRO [NH3+]CCCOC1CCN(S(=O)(=O)c2c(Cl)cc(F)cc2Cl)CC1 ZINC000568760925 564433508 /nfs/dbraw/zinc/43/35/08/564433508.db2.gz FQDFQKJSSDVDAP-UHFFFAOYSA-N 1 0 385.288 2.651 20 0 GFADRO Cc1nc(CSc2ccccc2C(=O)NC[C@@]2(O)CC[N@@H+](C)C2)cs1 ZINC000545881939 564435361 /nfs/dbraw/zinc/43/53/61/564435361.db2.gz CLVMRZNFNSEKTE-SFHVURJKSA-N 1 0 377.535 2.540 20 0 GFADRO O=C(NCc1cc(Br)cc2c1OCC2)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000545900858 564436928 /nfs/dbraw/zinc/43/69/28/564436928.db2.gz HZIUZDJLQBZZFC-HOTGVXAUSA-N 1 0 394.313 2.810 20 0 GFADRO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000568865331 564438846 /nfs/dbraw/zinc/43/88/46/564438846.db2.gz GQVHDBMGRMZQEC-DZGCQCFKSA-N 1 0 390.933 2.564 20 0 GFADRO CCN(CC)S(=O)(=O)c1ccc(CNCc2c[nH+]ccc2N(C)C)s1 ZINC000546055985 564442063 /nfs/dbraw/zinc/44/20/63/564442063.db2.gz UMTUMAGIFVVAOP-UHFFFAOYSA-N 1 0 382.555 2.529 20 0 GFADRO CO[C@H]1CCN(CC(=O)Nc2ccc(Cl)cc2C(F)(F)F)[C@H](C[NH3+])C1 ZINC000569003128 564444328 /nfs/dbraw/zinc/44/43/28/564444328.db2.gz IZRZNDGZFJCBGH-RYUDHWBXSA-N 1 0 379.810 2.735 20 0 GFADRO O=S(=O)(c1cccc2c(Cl)ccnc21)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000569003585 564444477 /nfs/dbraw/zinc/44/44/77/564444477.db2.gz OXKXUNRGRUABGY-AWEZNQCLSA-N 1 0 379.913 2.898 20 0 GFADRO C[NH+](C)CC(C)(C)CNS(=O)(=O)c1cc(Br)ccc1Cl ZINC000546092630 564444728 /nfs/dbraw/zinc/44/47/28/564444728.db2.gz UKHUKGVOIDZGSZ-UHFFFAOYSA-N 1 0 383.739 2.969 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(I)cc3Cl)C[C@@H]21 ZINC000453044852 564444884 /nfs/dbraw/zinc/44/48/84/564444884.db2.gz YWBAODYGWQCRAV-RNCFNFMXSA-N 1 0 390.652 2.721 20 0 GFADRO COc1ccc2c(c1)C[C@H]([NH2+]CC(=O)Nc1ccc(Br)cc1)CO2 ZINC000453100640 564447065 /nfs/dbraw/zinc/44/70/65/564447065.db2.gz ZXXMHWRDNDDFAA-HNNXBMFYSA-N 1 0 391.265 2.990 20 0 GFADRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N1CCc2cc(Br)ccc2C1 ZINC000479685082 564448232 /nfs/dbraw/zinc/44/82/32/564448232.db2.gz LBXHDQFUTWSTQX-SJKOYZFVSA-N 1 0 378.314 3.000 20 0 GFADRO CC[C@@H](C(=O)OC)C(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000569124870 564449560 /nfs/dbraw/zinc/44/95/60/564449560.db2.gz GEVPCOUDIDLCJP-OAHLLOKOSA-N 1 0 385.302 2.539 20 0 GFADRO COC(=O)c1sc(NC(=O)[C@@](C)([NH3+])c2ccc(Br)cc2)nc1C ZINC000514601396 564450747 /nfs/dbraw/zinc/45/07/47/564450747.db2.gz KFHOSTPNWFNEAY-HNNXBMFYSA-N 1 0 398.282 2.813 20 0 GFADRO C[C@H](NC[C@@H]1CCC[N@@H+]1CCCO)c1ccccc1I ZINC000453259529 564451001 /nfs/dbraw/zinc/45/10/01/564451001.db2.gz PZUXERGDELCXRT-KBPBESRZSA-N 1 0 388.293 2.789 20 0 GFADRO O=C(c1ccc(-n2cc(Br)cn2)cc1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000514596797 564451081 /nfs/dbraw/zinc/45/10/81/564451081.db2.gz GOGWKPXRZXMBIV-MRXNPFEDSA-N 1 0 375.270 2.601 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCCN(CCCO)C1)c1ccc(I)cc1 ZINC000453253130 564451220 /nfs/dbraw/zinc/45/12/20/564451220.db2.gz CNDFPKLHZAAJKW-XJKSGUPXSA-N 1 0 388.293 2.789 20 0 GFADRO CC[C@H](CNS(C)(=O)=O)[NH2+][C@@H]1CCc2cc(Br)cc(C)c21 ZINC000453289565 564452157 /nfs/dbraw/zinc/45/21/57/564452157.db2.gz SKZZVIXYTABCMJ-ZIAGYGMSSA-N 1 0 375.332 2.662 20 0 GFADRO O=C1NC2(CCCC2)C(=O)N1CCCC[NH2+]Cc1ccc(Br)cn1 ZINC000479872701 564452841 /nfs/dbraw/zinc/45/28/41/564452841.db2.gz IZIHVIJURBSACU-UHFFFAOYSA-N 1 0 395.301 2.579 20 0 GFADRO C[C@H](CC(C)(C)O)[NH2+][C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000453308214 564453340 /nfs/dbraw/zinc/45/33/40/564453340.db2.gz DGAZPSVJQPQKOB-MFKMUULPSA-N 1 0 376.316 2.807 20 0 GFADRO C[C@@H]1[NH2+]CC[C@H]1C(=O)N(C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000569216753 564453597 /nfs/dbraw/zinc/45/35/97/564453597.db2.gz VUOXRIDFRGTGAK-GXSJLCMTSA-N 1 0 377.794 2.754 20 0 GFADRO O=C(CC[N@@H+]1CCC[C@@H](N2CCOCC2)C1)Nc1cccc(Br)c1 ZINC000569235488 564454317 /nfs/dbraw/zinc/45/43/17/564454317.db2.gz VVEYYVSLWYRMQM-QGZVFWFLSA-N 1 0 396.329 2.574 20 0 GFADRO COc1ccc(Br)cc1C[C@@H](CO)C[NH2+][C@H](C)Cc1cnccn1 ZINC000453369824 564454966 /nfs/dbraw/zinc/45/49/66/564454966.db2.gz NHYQFGCGWRYAHE-ZIAGYGMSSA-N 1 0 394.313 2.620 20 0 GFADRO CC[NH+](CC)CCS(=O)(=O)N(C[C@@H](C)O)[C@H](C)Cc1ccc(Cl)cc1 ZINC000569276536 564456038 /nfs/dbraw/zinc/45/60/38/564456038.db2.gz FEZVXXXJWITTBM-HZPDHXFCSA-N 1 0 390.977 2.625 20 0 GFADRO COc1ccc(Br)cc1C[C@@H](CO)C[NH2+][C@H](C)c1ccncn1 ZINC000453393434 564455966 /nfs/dbraw/zinc/45/59/66/564455966.db2.gz ZKSRPPTZMVFDTR-CHWSQXEVSA-N 1 0 380.286 2.750 20 0 GFADRO COc1ccc(Br)cc1C[C@@H](CO)C[NH2+][C@@H](C)c1cnccn1 ZINC000453393990 564456008 /nfs/dbraw/zinc/45/60/08/564456008.db2.gz ZUQZYUGZHQVHJX-QWHCGFSZSA-N 1 0 380.286 2.750 20 0 GFADRO C[C@@H]([NH2+]C[C@H](CO)Cc1ccc(F)c(Br)c1)C(C)(C)n1cncn1 ZINC000453392299 564456050 /nfs/dbraw/zinc/45/60/50/564456050.db2.gz YURVGFUUKIOUNP-TZMCWYRMSA-N 1 0 399.308 2.744 20 0 GFADRO C[C@H]1CSc2ccc(Br)cc2[C@@H]1[NH2+]CCS(=O)(=O)N(C)C ZINC000569279456 564457390 /nfs/dbraw/zinc/45/73/90/564457390.db2.gz PJNKZIBHZKGJBL-IINYFYTJSA-N 1 0 393.372 2.713 20 0 GFADRO C[C@H]1C[C@H](NC(=O)NCc2cc3c(c(Br)c2)OCO3)c2nccn21 ZINC000569311543 564458170 /nfs/dbraw/zinc/45/81/70/564458170.db2.gz OFQCLYPGEIMWQB-CABZTGNLSA-N 1 0 393.241 2.880 20 0 GFADRO Cc1cc(Br)c(CN2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)s1 ZINC000453577716 564458121 /nfs/dbraw/zinc/45/81/21/564458121.db2.gz NQWNEQQXLQQLCK-AWEZNQCLSA-N 1 0 386.359 2.557 20 0 GFADRO Cc1cc(Br)c(C[NH2+][C@H]2CCC[C@H]2CNS(C)(=O)=O)s1 ZINC000453571645 564458644 /nfs/dbraw/zinc/45/86/44/564458644.db2.gz DUWPVMTZEJEHQW-JQWIXIFHSA-N 1 0 381.361 2.627 20 0 GFADRO Cc1cc(Br)c(C[NH2+]CCN2CCN(c3ncccn3)CC2)s1 ZINC000453594574 564459065 /nfs/dbraw/zinc/45/90/65/564459065.db2.gz UXVTYNRZYFFJHP-UHFFFAOYSA-N 1 0 396.358 2.521 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+]C[C@@]1(C)CCC(=O)N1 ZINC000453588729 564459615 /nfs/dbraw/zinc/45/96/15/564459615.db2.gz LQZGPKGEDUXDEH-QGZVFWFLSA-N 1 0 377.286 2.702 20 0 GFADRO NC(=O)[C@H]1CC[C@H](C[NH2+]CCC(=O)Nc2ccc(Br)cc2)CC1 ZINC000569352381 564459754 /nfs/dbraw/zinc/45/97/54/564459754.db2.gz MYJNKPGJFDUSGD-JOCQHMNTSA-N 1 0 382.302 2.659 20 0 GFADRO C[C@@H](Cc1cc(Br)ccc1F)NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC000569353120 564460213 /nfs/dbraw/zinc/46/02/13/564460213.db2.gz MAWLDTYZSGDVNQ-LBPRGKRZSA-N 1 0 397.292 2.707 20 0 GFADRO Cc1ncc(C(=O)NCc2ccncc2OCC[NH+](C)C)c(Cl)c1Cl ZINC000569399139 564462094 /nfs/dbraw/zinc/46/20/94/564462094.db2.gz HCGUDZXDUAGDSJ-UHFFFAOYSA-N 1 0 383.279 2.962 20 0 GFADRO O=C(NCc1cc(Br)cc2c1OCC2)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000546618990 564462430 /nfs/dbraw/zinc/46/24/30/564462430.db2.gz SOSHQLIHMAGMDD-MRXNPFEDSA-N 1 0 394.313 2.764 20 0 GFADRO CN1CC=C(C[NH2+][C@@H]2CCS(=O)(=O)c3ccc(Br)cc32)CC1 ZINC000480176432 564462612 /nfs/dbraw/zinc/46/26/12/564462612.db2.gz DIMOORJTWOTYMD-OAHLLOKOSA-N 1 0 385.327 2.519 20 0 GFADRO [NH3+][C@@H]1CCc2ncc(NC(=O)Cc3ccc(Br)c(F)c3)cc2C1 ZINC000569449097 564463821 /nfs/dbraw/zinc/46/38/21/564463821.db2.gz NGBDPZSZPWKGLQ-GFCCVEGCSA-N 1 0 378.245 2.980 20 0 GFADRO C[NH+](C)CC1(NC(=O)c2cccc(F)c2I)CCC1 ZINC000546695483 564464966 /nfs/dbraw/zinc/46/49/66/564464966.db2.gz BSMWCFNLYLERFR-UHFFFAOYSA-N 1 0 376.213 2.644 20 0 GFADRO C[NH+](C)[C@]1(CNC(=O)Cc2ccc(F)c(Br)c2)CCSC1 ZINC000480264583 564466467 /nfs/dbraw/zinc/46/64/67/564466467.db2.gz WANIBPFPKFKTNX-HNNXBMFYSA-N 1 0 375.307 2.684 20 0 GFADRO Cc1cc(C(=O)N2CCC3(CC[NH2+]3)CC2)nn1-c1ccc(Br)cc1 ZINC000515053483 564466791 /nfs/dbraw/zinc/46/67/91/564466791.db2.gz GINVAHOLUBHGFT-UHFFFAOYSA-N 1 0 389.297 2.911 20 0 GFADRO CCC[C@@](C)(O)C[NH2+][C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000480264609 564467286 /nfs/dbraw/zinc/46/72/86/564467286.db2.gz WDGJIDXDYRNDES-DZGCQCFKSA-N 1 0 376.316 2.808 20 0 GFADRO COCC[NH2+]C1CCN(C(=O)C(C)(C)c2ccc(Br)cc2)CC1 ZINC000515067186 564467449 /nfs/dbraw/zinc/46/74/49/564467449.db2.gz VGEBEFUJYJQBBG-UHFFFAOYSA-N 1 0 383.330 2.954 20 0 GFADRO CCN(CCC[NH+](CC)CC)C(=O)C(=O)Nc1cc(Br)cnc1C ZINC000453727012 564467747 /nfs/dbraw/zinc/46/77/47/564467747.db2.gz HQHOEXDZGREVJW-UHFFFAOYSA-N 1 0 399.333 2.671 20 0 GFADRO C[C@@]1(CO)CCC[N@@H+]1CCCOc1cccc(I)c1 ZINC000546809972 564469510 /nfs/dbraw/zinc/46/95/10/564469510.db2.gz IBAQDBFIKXCPER-HNNXBMFYSA-N 1 0 375.250 2.907 20 0 GFADRO Cc1cc(Br)cn2cc(CNC(=O)C[N@H+]3[C@H](C)CC[C@@H]3C)nc12 ZINC000546823354 564470015 /nfs/dbraw/zinc/47/00/15/564470015.db2.gz LQLXNUXAPTWXGF-BETUJISGSA-N 1 0 379.302 2.894 20 0 GFADRO O=C(CC[NH2+]CCCn1cc(Br)cn1)Nc1cc(F)cc(F)c1 ZINC000515187837 564471146 /nfs/dbraw/zinc/47/11/46/564471146.db2.gz AWQVGLWSTABBGB-UHFFFAOYSA-N 1 0 387.228 2.932 20 0 GFADRO CCOC(=O)CN(CC(F)(F)F)C(=O)[C@@H](c1ccc(Cl)cc1)N(C)C ZINC000569618085 564471641 /nfs/dbraw/zinc/47/16/41/564471641.db2.gz CJXQFEOPUYJISB-CQSZACIVSA-N 1 0 380.794 2.897 20 0 GFADRO C[C@H](NC(=O)N1CC[C@H]([NH+]2CCCC2)[C@H]1C)c1ncc(Br)cn1 ZINC000515297117 564474059 /nfs/dbraw/zinc/47/40/59/564474059.db2.gz HTAFQAGDNIGLNY-SCRDCRAPSA-N 1 0 382.306 2.568 20 0 GFADRO O=C(N[C@H](c1cccs1)c1ccc(Cl)cc1)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000480502292 564476187 /nfs/dbraw/zinc/47/61/87/564476187.db2.gz XRMKWQAVMUVDTO-WMZOPIPTSA-N 1 0 375.925 2.997 20 0 GFADRO Cc1ccsc1S(=O)(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000569783988 564477941 /nfs/dbraw/zinc/47/79/41/564477941.db2.gz JEFLAWRIFXSDEB-KRWDZBQOSA-N 1 0 380.535 2.626 20 0 GFADRO CC[NH+](CC)[C@H](C)CNS(=O)(=O)c1cc(F)c(Br)cc1F ZINC000480619755 564479134 /nfs/dbraw/zinc/47/91/34/564479134.db2.gz YCJJMQYWVLZRHE-SECBINFHSA-N 1 0 385.274 2.736 20 0 GFADRO C[C@H](NC(=O)c1cc[nH]c(=O)c1Br)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000515450994 564479200 /nfs/dbraw/zinc/47/92/00/564479200.db2.gz GIUCZUOOQCUCDE-RYUDHWBXSA-N 1 0 382.302 2.933 20 0 GFADRO COc1ccc(Br)c(CC(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000569808069 564479399 /nfs/dbraw/zinc/47/93/99/564479399.db2.gz GZKVGWXBPOYOLU-KGLIPLIRSA-N 1 0 381.314 2.848 20 0 GFADRO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@H]1C[C@H]2CCCCN2C1=O ZINC000515480304 564479980 /nfs/dbraw/zinc/47/99/80/564479980.db2.gz KHOUPAGSRAHEBG-WQVCFCJDSA-N 1 0 394.313 2.909 20 0 GFADRO CC[NH+](CC)C[C@H]1CCCC[C@@H]1NCc1cc(Cl)cc(S(N)(=O)=O)c1 ZINC000569850026 564480902 /nfs/dbraw/zinc/48/09/02/564480902.db2.gz BVZCMTWVDSZPSZ-QAPCUYQASA-N 1 0 387.977 2.978 20 0 GFADRO COC(=O)c1ccc(S(=O)(=O)NCCCC[NH+]2C[C@@H](C)C[C@H](C)C2)s1 ZINC000515521896 564481185 /nfs/dbraw/zinc/48/11/85/564481185.db2.gz SKCUCDSBBQGMPU-KBPBESRZSA-N 1 0 388.555 2.571 20 0 GFADRO C[C@@H](NC[C@@]1(O)CC[N@H+](C)C1)c1ccc(Br)cc1Br ZINC000547278368 564481634 /nfs/dbraw/zinc/48/16/34/564481634.db2.gz GMCWKSOFSJMCQM-YGRLFVJLSA-N 1 0 392.135 2.929 20 0 GFADRO CCc1ncc(S(=O)(=O)N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC000547304485 564483747 /nfs/dbraw/zinc/48/37/47/564483747.db2.gz COHFBNHWTUXUDY-MRXNPFEDSA-N 1 0 379.551 2.848 20 0 GFADRO Cc1cc(F)c(Br)cc1S(=O)(=O)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000480717474 564484024 /nfs/dbraw/zinc/48/40/24/564484024.db2.gz SSWYXBRNSNAUSB-IINYFYTJSA-N 1 0 391.306 2.658 20 0 GFADRO C[N@H+](CC(=O)N[C@H]1CCOc2ccc(Br)cc21)[C@H]1CCSC1 ZINC000480731963 564484689 /nfs/dbraw/zinc/48/46/89/564484689.db2.gz AHXGFDZSJWAMJS-JSGCOSHPSA-N 1 0 385.327 2.826 20 0 GFADRO COC[C@H]([NH2+]CCNS(=O)(=O)c1ccc(F)cc1Cl)c1ccccc1 ZINC000569952316 564485147 /nfs/dbraw/zinc/48/51/47/564485147.db2.gz FYZYPLLOFRYLGC-INIZCTEOSA-N 1 0 386.876 2.735 20 0 GFADRO C[C@@H](CCc1ccc(Cl)s1)[NH2+]C[C@H]1CCCCN1S(=O)(=O)N(C)C ZINC000570005729 564486428 /nfs/dbraw/zinc/48/64/28/564486428.db2.gz VWRQRWXLNZKYGN-UONOGXRCSA-N 1 0 394.006 2.973 20 0 GFADRO COC(=O)c1ccc(S(=O)(=O)NCC(C)(C)C[NH+]2CCCC2)cc1Cl ZINC000480760922 564487325 /nfs/dbraw/zinc/48/73/25/564487325.db2.gz RPFGEDQHHJQIQA-UHFFFAOYSA-N 1 0 388.917 2.527 20 0 GFADRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)N(C)Cc1ccc(Cl)s1 ZINC000480919754 564495664 /nfs/dbraw/zinc/49/56/64/564495664.db2.gz ZABNAFSBFLIALK-MCIONIFRSA-N 1 0 385.961 2.843 20 0 GFADRO C[C@@H](NCc1cc(Cl)cc(S(N)(=O)=O)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000570215916 564495882 /nfs/dbraw/zinc/49/58/82/564495882.db2.gz MDOFNSARJKPNKM-HIFRSBDPSA-N 1 0 385.961 2.730 20 0 GFADRO O=S(=O)(NCC[NH2+][C@@H]1CCCc2c(O)cccc21)c1cccc(Cl)c1 ZINC000570300559 564500103 /nfs/dbraw/zinc/50/01/03/564500103.db2.gz ZLRZTUMZSPYHGF-QGZVFWFLSA-N 1 0 380.897 2.991 20 0 GFADRO C[C@@H]([NH2+]Cc1cc(Cl)cc(S(N)(=O)=O)c1)c1ccc([S@](C)=O)cc1 ZINC000570282563 564500157 /nfs/dbraw/zinc/50/01/57/564500157.db2.gz CDWIZNONDVCVKC-BGJPBQGDSA-N 1 0 386.926 2.576 20 0 GFADRO Cc1cc(F)c(Br)cc1S(=O)(=O)N(C)CC[NH+]1CCCC1 ZINC000481056371 564501437 /nfs/dbraw/zinc/50/14/37/564501437.db2.gz JQMXKCTVNGSHAQ-UHFFFAOYSA-N 1 0 379.295 2.613 20 0 GFADRO [NH3+]CCC1CCN(C(=O)NCc2nc3c(cccc3Br)[nH]2)CC1 ZINC000570337851 564501529 /nfs/dbraw/zinc/50/15/29/564501529.db2.gz NJVBSYKDNNORCH-UHFFFAOYSA-N 1 0 380.290 2.596 20 0 GFADRO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)c1ccccc1-n1cc(Br)cn1 ZINC000516391115 564501783 /nfs/dbraw/zinc/50/17/83/564501783.db2.gz HLLPJNXAASILOL-CYBMUJFWSA-N 1 0 389.297 2.849 20 0 GFADRO COc1cc(C(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc(OC)c1Br ZINC000516462745 564502366 /nfs/dbraw/zinc/50/23/66/564502366.db2.gz KBVBYOBTWQHDLP-CHWSQXEVSA-N 1 0 397.313 2.928 20 0 GFADRO O=C(COc1ccc(F)cc1Br)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000570396078 564503474 /nfs/dbraw/zinc/50/34/74/564503474.db2.gz WZMVPZFSKBJRKO-CHWSQXEVSA-N 1 0 385.277 2.815 20 0 GFADRO C[C@H]([NH2+]CCS(=O)(=O)c1ccccc1)C1CCN(CC(F)(F)F)CC1 ZINC000516496146 564503677 /nfs/dbraw/zinc/50/36/77/564503677.db2.gz KAUPQAKWVPVSOT-AWEZNQCLSA-N 1 0 378.460 2.713 20 0 GFADRO O=C1C[C@]2(CN1)CCC[N@@H+]([C@H]1CCN(c3ccc(Cl)c(Cl)c3)C1=O)C2 ZINC000481108721 564504006 /nfs/dbraw/zinc/50/40/06/564504006.db2.gz NVRQFRTYXGBDSW-YJBOKZPZSA-N 1 0 382.291 2.701 20 0 GFADRO C[N@@H+]1CCC[C@@H](CCNC(=O)Nc2ccc(NS(C)(=O)=O)c(Cl)c2)C1 ZINC000516547786 564505395 /nfs/dbraw/zinc/50/53/95/564505395.db2.gz XALFKOGXGMRIEK-LBPRGKRZSA-N 1 0 388.921 2.565 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(I)cn1 ZINC000454336375 564506662 /nfs/dbraw/zinc/50/66/62/564506662.db2.gz MMCXFBMRNKZWJC-GFCCVEGCSA-N 1 0 387.265 2.681 20 0 GFADRO Cn1cc([C@@H]([NH2+]CCn2cc(Br)cn2)c2cccc(F)c2)cn1 ZINC000516670690 564508725 /nfs/dbraw/zinc/50/87/25/564508725.db2.gz LKRJVHFAKGLGAB-INIZCTEOSA-N 1 0 378.249 2.897 20 0 GFADRO COc1cc(OC)c(S(=O)(=O)N2CCC([NH2+]CC3CC3)CC2)cc1Cl ZINC000516649910 564509041 /nfs/dbraw/zinc/50/90/41/564509041.db2.gz DACVSPHMRRJXTI-UHFFFAOYSA-N 1 0 388.917 2.510 20 0 GFADRO C[NH+](C)[C@@]1(CNS(=O)(=O)Cc2c(Cl)cccc2Cl)CCSC1 ZINC000481345177 564510241 /nfs/dbraw/zinc/51/02/41/564510241.db2.gz MUMNJVMCXQSKIT-CQSZACIVSA-N 1 0 383.366 2.850 20 0 GFADRO CN1CCN(c2cc[nH+]cc2NC(=O)Cc2sccc2Br)CC1 ZINC000516710004 564510492 /nfs/dbraw/zinc/51/04/92/564510492.db2.gz ZNAQTYFNOHGFIB-UHFFFAOYSA-N 1 0 395.326 2.839 20 0 GFADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)CNC(=O)c3ccc(Cl)cc3Cl)CC[C@H]21 ZINC000547778455 564510493 /nfs/dbraw/zinc/51/04/93/564510493.db2.gz ZODOCGDXEXOFEV-MLGOLLRUSA-N 1 0 384.307 2.666 20 0 GFADRO CC(C)c1n[nH]c(C(=O)N2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)c1Br ZINC000516760069 564510818 /nfs/dbraw/zinc/51/08/18/564510818.db2.gz QDRSFXNSGUOSQB-WBMJQRKESA-N 1 0 399.333 2.654 20 0 GFADRO C[C@@H]1CN(C[C@H](O)C[NH2+][C@H]2C[C@H](c3ccc(Br)cc3)C2)C[C@H](C)O1 ZINC000516762715 564511379 /nfs/dbraw/zinc/51/13/79/564511379.db2.gz KZZJVDAGBLXMPM-LPOOJTIXSA-N 1 0 397.357 2.755 20 0 GFADRO O[C@H](C[NH2+]C1CCN(c2nccs2)CC1)COCc1ccccc1Cl ZINC000516762786 564511891 /nfs/dbraw/zinc/51/18/91/564511891.db2.gz OPOXNHZRAFXKAU-MRXNPFEDSA-N 1 0 381.929 2.933 20 0 GFADRO Cn1cc(Br)c(CNC(=O)NCCCCC[NH+]2CCCCC2)n1 ZINC000454487632 564512007 /nfs/dbraw/zinc/51/20/07/564512007.db2.gz PUMOVWQVVRYQDX-UHFFFAOYSA-N 1 0 386.338 2.638 20 0 GFADRO COC(=O)C[C@H](NC(=O)C[C@@H]1CCC[NH2+]C1)c1ccc(Br)cc1 ZINC000516784057 564512363 /nfs/dbraw/zinc/51/23/63/564512363.db2.gz IOWLPYCDMVMVSY-WFASDCNBSA-N 1 0 383.286 2.559 20 0 GFADRO COCC[N@@H+]1CC[C@H](NC(=O)N2CC[C@H](c3cccc(Br)c3)C2)C1 ZINC000454549896 564513467 /nfs/dbraw/zinc/51/34/67/564513467.db2.gz QURANKDFKYYAQO-RDJZCZTQSA-N 1 0 396.329 2.669 20 0 GFADRO C[C@@H](Cc1c(Cl)cccc1Cl)NC(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC000570629957 564515179 /nfs/dbraw/zinc/51/51/79/564515179.db2.gz CENNXYVMPHKCQU-NSHDSACASA-N 1 0 382.295 2.870 20 0 GFADRO COC[C@@H](CNC(=O)NC[C@@]1([NH+](C)C)CCSC1)c1ccc(Cl)cc1 ZINC000454596233 564516443 /nfs/dbraw/zinc/51/64/43/564516443.db2.gz FFOWWBHXFCSUKH-QAPCUYQASA-N 1 0 385.961 2.807 20 0 GFADRO [NH3+]C[C@@H]1CCCN(C(=O)Nc2ccc(F)cc2I)C1 ZINC000570690680 564517173 /nfs/dbraw/zinc/51/71/73/564517173.db2.gz WWTTZUIBMAEDNA-VIFPVBQESA-N 1 0 377.201 2.633 20 0 GFADRO C[C@@H](NC(=O)c1nn(-c2cccc(Br)c2)c2c1CCCC2)[C@H](C)[NH3+] ZINC000570682278 564517398 /nfs/dbraw/zinc/51/73/98/564517398.db2.gz YDLBAMAPFJOLIX-NWDGAFQWSA-N 1 0 391.313 2.979 20 0 GFADRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)N1CCN(C(=O)c2c(Cl)cccc2Cl)CC1 ZINC000516968322 564518722 /nfs/dbraw/zinc/51/87/22/564518722.db2.gz AAQUKJDUASOUIN-VXGBXAGGSA-N 1 0 387.311 2.587 20 0 GFADRO C[NH+](C)[C@]1(CNC(=O)NCCc2ccc(Br)cc2)CCSC1 ZINC000481701916 564519439 /nfs/dbraw/zinc/51/94/39/564519439.db2.gz MSBZHQZHTWQHHB-INIZCTEOSA-N 1 0 386.359 2.728 20 0 GFADRO Cc1ccc(Br)c(S(=O)(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)c1 ZINC000516982932 564519797 /nfs/dbraw/zinc/51/97/97/564519797.db2.gz MAIFBPIGJYARNY-MRXNPFEDSA-N 1 0 387.343 2.864 20 0 GFADRO CO[C@@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000454759109 564521418 /nfs/dbraw/zinc/52/14/18/564521418.db2.gz UNLAPLNMSPNSRK-JWZBEHFJSA-N 1 0 396.329 2.871 20 0 GFADRO O=C(NCCOc1cccc(Br)c1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000517019054 564521755 /nfs/dbraw/zinc/52/17/55/564521755.db2.gz MGIRCPYANIEGHR-HNNXBMFYSA-N 1 0 396.329 2.859 20 0 GFADRO C[N@@H+]1CCC[C@@H]2CN(S(=O)(=O)c3cccc4c(Cl)ccnc43)CC[C@H]21 ZINC000517072422 564523607 /nfs/dbraw/zinc/52/36/07/564523607.db2.gz FFNPICZMFILSMA-CZUORRHYSA-N 1 0 379.913 2.993 20 0 GFADRO CN(C(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1)C1CC([NH3+])C1 ZINC000517142218 564524896 /nfs/dbraw/zinc/52/48/96/564524896.db2.gz LYMBYZDRZBLWAN-HSBZDZAISA-N 1 0 384.307 2.794 20 0 GFADRO Cn1cc(Br)c(-c2nc(-c3ccccc3OCC[NH+](C)C)no2)n1 ZINC000570948791 564528850 /nfs/dbraw/zinc/52/88/50/564528850.db2.gz UKGUSERGURXRLB-UHFFFAOYSA-N 1 0 392.257 2.840 20 0 GFADRO C[N@@H+]1CCC[C@H](CNC(=O)c2c(O)cnc3c(Br)cccc32)C1 ZINC000517266398 564530009 /nfs/dbraw/zinc/53/00/09/564530009.db2.gz SWMLVZNZFHMUOO-LLVKDONJSA-N 1 0 378.270 2.775 20 0 GFADRO O=C(N[C@H]1CCN(c2ccccc2Br)C1)C12CCC[NH+]1CCC2 ZINC000548085325 564530453 /nfs/dbraw/zinc/53/04/53/564530453.db2.gz XLIUYKGENQPGMJ-AWEZNQCLSA-N 1 0 378.314 2.772 20 0 GFADRO C[C@H](c1ccccc1Br)N(C)C(=O)NCC[N@@H+]1CCCOCC1 ZINC000455003517 564531903 /nfs/dbraw/zinc/53/19/03/564531903.db2.gz RCOCUVSEJDVCND-CQSZACIVSA-N 1 0 384.318 2.874 20 0 GFADRO COc1cc(Br)c(CN2C[C@H](C[NH3+])C3(C2)CCOCC3)cc1OC ZINC000571047531 564533257 /nfs/dbraw/zinc/53/32/57/564533257.db2.gz VXLXAYMDYFFALQ-AWEZNQCLSA-N 1 0 399.329 2.654 20 0 GFADRO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)Nc1cnc2c(Br)cccn12 ZINC000571041660 564533389 /nfs/dbraw/zinc/53/33/89/564533389.db2.gz HRGJJDVMIYQKSR-HNNXBMFYSA-N 1 0 395.301 2.829 20 0 GFADRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNS(=O)(=O)c1cccc(Br)c1 ZINC000517414380 564533997 /nfs/dbraw/zinc/53/39/97/564533997.db2.gz IXVNNYIJUDVTRX-CHWSQXEVSA-N 1 0 375.332 2.990 20 0 GFADRO O=S(=O)(CCc1ccccc1)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000482102203 564534312 /nfs/dbraw/zinc/53/43/12/564534312.db2.gz KNJJTRLMOFZUSE-UHFFFAOYSA-N 1 0 382.595 2.900 20 0 GFADRO O=C(CC[NH2+]C[C@@H](CO)c1cccnc1)Nc1cccc(Br)c1 ZINC000571088927 564535083 /nfs/dbraw/zinc/53/50/83/564535083.db2.gz WYWGRNFIUDNGAS-AWEZNQCLSA-N 1 0 378.270 2.538 20 0 GFADRO O=S(=O)(CCc1cccs1)NC[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1 ZINC000571088154 564535475 /nfs/dbraw/zinc/53/54/75/564535475.db2.gz NHLOAJBZEWZRFU-QAPCUYQASA-N 1 0 382.526 2.742 20 0 GFADRO O[C@H](C[NH2+][C@H]1CCO[C@@H]1C1CC1)COc1ccc(Cl)cc1Br ZINC000571115197 564536082 /nfs/dbraw/zinc/53/60/82/564536082.db2.gz XVRIJUTXXOFDMT-IVMMDQJWSA-N 1 0 390.705 2.999 20 0 GFADRO C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@@H](CO)C1CCOCC1 ZINC000517546780 564536533 /nfs/dbraw/zinc/53/65/33/564536533.db2.gz CBASILRFWRUZFT-LRDDRELGSA-N 1 0 385.302 2.543 20 0 GFADRO CC[NH+](CC)[C@H](CNC(=O)Cn1cc(Br)cn1)c1ccsc1 ZINC000517585055 564537510 /nfs/dbraw/zinc/53/75/10/564537510.db2.gz OPRIWUUSGKEGQS-CQSZACIVSA-N 1 0 385.331 2.906 20 0 GFADRO CC(C)[NH2+]C1(CO)CCN([C@@H](C)C(=O)Nc2cccc(Br)c2)CC1 ZINC000517755039 564541026 /nfs/dbraw/zinc/54/10/26/564541026.db2.gz LGPFCCSRBAXWGH-AWEZNQCLSA-N 1 0 398.345 2.601 20 0 GFADRO O=C(NCc1nc2c(cccc2Br)[nH]1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000517901721 564542776 /nfs/dbraw/zinc/54/27/76/564542776.db2.gz FKXABLZCAVTJMO-KRWDZBQOSA-N 1 0 392.301 2.611 20 0 GFADRO COc1cc(NC(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)cc(OC)c1Br ZINC000571298115 564544661 /nfs/dbraw/zinc/54/46/61/564544661.db2.gz SJVNXWZLJJWAGY-PHIMTYICSA-N 1 0 384.274 2.825 20 0 GFADRO C[C@H](C[NH+]1CCOCC1)C(=O)N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1 ZINC000482559691 564545891 /nfs/dbraw/zinc/54/58/91/564545891.db2.gz WPYVXAIYSFKAML-KGLIPLIRSA-N 1 0 386.323 2.657 20 0 GFADRO Cc1c(Br)ccc(NC(=O)NC[C@H]2CCC[N@@H+]2CCCO)c1F ZINC000455316351 564548583 /nfs/dbraw/zinc/54/85/83/564548583.db2.gz ZTLBDDBPIPUAAB-GFCCVEGCSA-N 1 0 388.281 2.865 20 0 GFADRO Cc1sc2nc(C)nc(SCC(=O)N3CC[C@@]4(CC[NH2+]C4)C3)c2c1C ZINC000571400990 564549978 /nfs/dbraw/zinc/54/99/78/564549978.db2.gz JREKWWQZLVDERE-GOSISDBHSA-N 1 0 376.551 2.921 20 0 GFADRO Cc1ccc(O[C@@H](C)C(=O)N[C@@H]2C[NH2+]CCC2(F)F)c(Br)c1 ZINC000571402042 564550047 /nfs/dbraw/zinc/55/00/47/564550047.db2.gz ARDNSZAUUJZIJD-GXFFZTMASA-N 1 0 377.229 2.638 20 0 GFADRO CCN(CC)C[C@@H](C)[NH2+]C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000571433006 564551110 /nfs/dbraw/zinc/55/11/10/564551110.db2.gz NGQIDUFKPSPYBE-DOMZBBRYSA-N 1 0 377.298 2.648 20 0 GFADRO CCC[NH2+][C@@H](C)C(=O)NC1CCN(Cc2ccc(Br)cc2)CC1 ZINC000518371538 564551529 /nfs/dbraw/zinc/55/15/29/564551529.db2.gz YQFTYHQJFVQOMY-AWEZNQCLSA-N 1 0 382.346 2.918 20 0 GFADRO COC(=O)c1cc(NC(=O)N(C)CC[NH+]2CCCC2)ccc1Br ZINC000548410474 564551973 /nfs/dbraw/zinc/55/19/73/564551973.db2.gz OKYWFKZWQZDHEK-UHFFFAOYSA-N 1 0 384.274 2.795 20 0 GFADRO Cc1nc(NC(=O)[C@@H]2C[NH2+]Cc3ccccc32)ccc1I ZINC000571439817 564552020 /nfs/dbraw/zinc/55/20/20/564552020.db2.gz TWXDSVJPKNCKRY-CYBMUJFWSA-N 1 0 393.228 2.820 20 0 GFADRO CC(C)[NH+]1CCC(C(=O)NCC(=O)Nc2cccc(Br)c2)CC1 ZINC000482909339 564552316 /nfs/dbraw/zinc/55/23/16/564552316.db2.gz BYMKTSQUVXORBV-UHFFFAOYSA-N 1 0 382.302 2.624 20 0 GFADRO C[C@@H](NC(=O)CN1[C@@H]2CC[C@H]1CC[N@@H+](C)C2)c1ccc(Br)cc1 ZINC000518393398 564552530 /nfs/dbraw/zinc/55/25/30/564552530.db2.gz CZCVZFPOKBYKNB-XOKHGSTOSA-N 1 0 380.330 2.795 20 0 GFADRO C[C@H](CNC(=O)C(=O)Nc1cc(Cl)cc(C(F)(F)F)c1)[NH+]1CCCC1 ZINC000548453967 564552830 /nfs/dbraw/zinc/55/28/30/564552830.db2.gz AGJQALCWIGDWER-SNVBAGLBSA-N 1 0 377.794 2.898 20 0 GFADRO CC[NH+]1C[C@@H](C)N(C(=O)c2ccc(F)c(I)c2)[C@H](C)C1 ZINC000518433207 564553084 /nfs/dbraw/zinc/55/30/84/564553084.db2.gz LXIRLWCYNUGZQU-GHMZBOCLSA-N 1 0 390.240 2.985 20 0 GFADRO CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]C1CCN(C(=O)C2CC2)CC1 ZINC000548477850 564553672 /nfs/dbraw/zinc/55/36/72/564553672.db2.gz JIDVKSSULIXLQP-UHFFFAOYSA-N 1 0 384.929 2.624 20 0 GFADRO [NH3+]C[C@@H]1CC[C@H](NC(=O)CCC[S@](=O)c2ccc(Br)cc2)C1 ZINC000571510344 564554418 /nfs/dbraw/zinc/55/44/18/564554418.db2.gz HBOSIURQYJGMIL-BWFKNJDFSA-N 1 0 387.343 2.581 20 0 GFADRO [NH3+]CCC1CCN(C(=O)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000571530468 564555722 /nfs/dbraw/zinc/55/57/22/564555722.db2.gz RNHOFKJVTZBFOH-UHFFFAOYSA-N 1 0 377.794 2.885 20 0 GFADRO O=C1NCCN1CC[NH2+][C@@H](Cc1ccccn1)c1ccc(Br)cc1 ZINC000518607578 564558326 /nfs/dbraw/zinc/55/83/26/564558326.db2.gz GCQSLTHGCFRROO-KRWDZBQOSA-N 1 0 389.297 2.743 20 0 GFADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)Nc1ccc(Br)c(C2CC2)n1 ZINC000455592401 564558483 /nfs/dbraw/zinc/55/84/83/564558483.db2.gz DZOUEQIBVODWMB-ZDUSSCGKSA-N 1 0 397.317 2.954 20 0 GFADRO CC[NH+](CC)[C@H](CNC(=O)C(=O)N(C)CCC(F)(F)F)c1ccsc1 ZINC000571627172 564558965 /nfs/dbraw/zinc/55/89/65/564558965.db2.gz CGNVTGSLIYKFTF-CYBMUJFWSA-N 1 0 379.448 2.658 20 0 GFADRO CC[NH+](CC)CC[C@H](CO)NC(=O)Nc1ccc(Br)c(C2CC2)n1 ZINC000455601721 564559473 /nfs/dbraw/zinc/55/94/73/564559473.db2.gz SSLCAWHFPHNWOV-CYBMUJFWSA-N 1 0 399.333 2.936 20 0 GFADRO O=C(N[C@@H]1C[NH2+]C[C@H]1c1ccccc1)c1[nH]nc(C2CC2)c1Br ZINC000571633566 564560284 /nfs/dbraw/zinc/56/02/84/564560284.db2.gz HTPVHMRCMXHGQZ-QWHCGFSZSA-N 1 0 375.270 2.535 20 0 GFADRO C[C@]1(c2ccc(C[NH2+]Cc3cccc(Br)c3)cc2)NC(=O)NC1=O ZINC000518784583 564562369 /nfs/dbraw/zinc/56/23/69/564562369.db2.gz MWFYQSWYFCRIEJ-GOSISDBHSA-N 1 0 388.265 2.794 20 0 GFADRO C[NH+](C)CCn1nccc1NC(=O)NCCc1cc(Br)ccc1F ZINC000455668720 564563986 /nfs/dbraw/zinc/56/39/86/564563986.db2.gz MOKXBMSTSQPZCF-UHFFFAOYSA-N 1 0 398.280 2.711 20 0 GFADRO CC[NH+](CC)CCN(C(=O)[C@H]1CCCOC1)c1ccc(Br)cn1 ZINC000518888701 564565080 /nfs/dbraw/zinc/56/50/80/564565080.db2.gz VZISCHBVGHYMQJ-AWEZNQCLSA-N 1 0 384.318 2.946 20 0 GFADRO O=C1CCCN1[C@@H]1CC[N@@H+](Cc2cnn(-c3ccc(Br)cc3)c2)C1 ZINC000483444172 564567966 /nfs/dbraw/zinc/56/79/66/564567966.db2.gz XSJCYJIRVWZHQK-QGZVFWFLSA-N 1 0 389.297 2.832 20 0 GFADRO O[C@H](C[NH2+]CCOc1cccc(Br)c1)COc1ccccc1F ZINC000571874979 564570842 /nfs/dbraw/zinc/57/08/42/564570842.db2.gz GYZWTIDAIZCBNB-CQSZACIVSA-N 1 0 384.245 2.997 20 0 GFADRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)c1ccc(I)cn1 ZINC000455798410 564571659 /nfs/dbraw/zinc/57/16/59/564571659.db2.gz SAFOTPANSOUEGJ-CYBMUJFWSA-N 1 0 387.265 2.633 20 0 GFADRO CC(C)[NH2+]CCCNC(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000571897763 564571759 /nfs/dbraw/zinc/57/17/59/564571759.db2.gz SFCPXQRLINKMBR-OAHLLOKOSA-N 1 0 383.334 2.715 20 0 GFADRO Cc1ccccc1[C@H]([C@H](C)NC(=O)NCc1n[nH]cc1Br)[NH+](C)C ZINC000548808945 564575755 /nfs/dbraw/zinc/57/57/55/564575755.db2.gz VATSTNLSGPQFAD-LRDDRELGSA-N 1 0 394.317 2.971 20 0 GFADRO Cc1ccc2nc(C[NH2+]C[C@@H](O)COc3cccc(Br)c3)cn2c1 ZINC000519386188 564575787 /nfs/dbraw/zinc/57/57/87/564575787.db2.gz FFFBXYCMRIIWGP-MRXNPFEDSA-N 1 0 390.281 2.935 20 0 GFADRO CC[C@H](C)[NH+]1CCN(C(=O)Nc2cc(N(C)C)c(Br)cn2)CC1 ZINC000455860148 564575890 /nfs/dbraw/zinc/57/58/90/564575890.db2.gz DYGHCEIRRGKDEU-LBPRGKRZSA-N 1 0 384.322 2.858 20 0 GFADRO CC[C@@H]1C[C@@H]([NH2+]C[C@H](O)COc2cc(F)cc(Br)c2)CCO1 ZINC000571994512 564576095 /nfs/dbraw/zinc/57/60/95/564576095.db2.gz UXVAVWMLOMAGRZ-SOUVJXGZSA-N 1 0 376.266 2.875 20 0 GFADRO COC1(C(=O)N2CCC(Oc3cccc(Br)c3)CC2)CC[NH2+]CC1 ZINC000519402805 564577194 /nfs/dbraw/zinc/57/71/94/564577194.db2.gz AWAAMXPKTANANO-UHFFFAOYSA-N 1 0 397.313 2.588 20 0 GFADRO O[C@H](C[NH2+]CCn1cnc2ccccc21)COc1cccc(Br)c1 ZINC000548844894 564577664 /nfs/dbraw/zinc/57/76/64/564577664.db2.gz KQDARDXVEFDIEC-OAHLLOKOSA-N 1 0 390.281 2.828 20 0 GFADRO C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)c1ccn(-c2cccc(Br)c2)n1 ZINC000572030236 564578167 /nfs/dbraw/zinc/57/81/67/564578167.db2.gz JKFTZEJYFVXKIY-HSMVNMDESA-N 1 0 377.286 2.751 20 0 GFADRO C[NH+](C)C[C@H]1CN(C(=O)Nc2cccc3c(Br)ccnc23)CCO1 ZINC000455898019 564579482 /nfs/dbraw/zinc/57/94/82/564579482.db2.gz MGXGGWRMTVXUBR-LBPRGKRZSA-N 1 0 393.285 2.792 20 0 GFADRO Cc1nc2cc(Cl)c(NC(=O)C(=O)N3CC[N@@H+]4CCC[C@@H]4C3)cc2s1 ZINC000484046561 564580611 /nfs/dbraw/zinc/58/06/11/564580611.db2.gz PMTZVGWRIZIDHV-LLVKDONJSA-N 1 0 378.885 2.503 20 0 GFADRO O=S(=O)(NCC1CC[NH+](C2CC2)CC1)c1ccccc1OC(F)(F)F ZINC000572087512 564580747 /nfs/dbraw/zinc/58/07/47/564580747.db2.gz FGDADADRZTXFHV-UHFFFAOYSA-N 1 0 378.416 2.738 20 0 GFADRO Oc1ccc(C[NH2+]C[C@@H](O)COCc2ccccc2F)cc1Br ZINC000572112649 564581897 /nfs/dbraw/zinc/58/18/97/564581897.db2.gz RZHLAJWCPFTXNG-CQSZACIVSA-N 1 0 384.245 2.961 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)c2nn(-c3ccc(F)cc3)cc2Br)C1 ZINC000484197678 564583343 /nfs/dbraw/zinc/58/33/43/564583343.db2.gz DLPDMTAPCVGGGU-WDEREUQCSA-N 1 0 381.249 2.583 20 0 GFADRO CS(=O)(=O)C1CCC([NH2+]C[C@@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000519596459 564583313 /nfs/dbraw/zinc/58/33/13/564583313.db2.gz MBCRMKRGBHASET-ROKHWSDSSA-N 1 0 396.336 2.679 20 0 GFADRO O=C(NCCOc1cccc(Br)c1)[C@@H]1C[NH2+]Cc2ccccc21 ZINC000519650761 564585523 /nfs/dbraw/zinc/58/55/23/564585523.db2.gz ZAPOFESDQHZJDG-QGZVFWFLSA-N 1 0 375.266 2.831 20 0 GFADRO COCC[C@]1([NH2+]CC(=O)N[C@H](C)c2ccc(Cl)cc2Cl)CCOC1 ZINC000572231060 564586287 /nfs/dbraw/zinc/58/62/87/564586287.db2.gz IPBMFZUNNQQGPP-PXAZEXFGSA-N 1 0 375.296 2.956 20 0 GFADRO Cc1nccn1C[C@@H](C)C[NH2+]C[C@H](O)COc1ccc(Br)cc1 ZINC000572274732 564588135 /nfs/dbraw/zinc/58/81/35/564588135.db2.gz LYNOJJDUEZNLJX-BBRMVZONSA-N 1 0 382.302 2.620 20 0 GFADRO O=S1(=O)CCO[C@@H](C[NH2+][C@@H]2CCCCc3cc(Br)ccc32)C1 ZINC000549236650 564588715 /nfs/dbraw/zinc/58/87/15/564588715.db2.gz CTCSDWMCYWVJKY-GOEBONIOSA-N 1 0 388.327 2.620 20 0 GFADRO COCC[C@H](Cc1cccc(Br)c1)C(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000484539643 564590462 /nfs/dbraw/zinc/59/04/62/564590462.db2.gz CUAOLSQNVQXLKX-FVQBIDKESA-N 1 0 383.330 2.840 20 0 GFADRO [NH3+]CC[C@@H](NC(=O)c1cc(I)ccc1Cl)C(F)F ZINC000519826034 564592146 /nfs/dbraw/zinc/59/21/46/564592146.db2.gz OYQGOJBQRXOIDH-SECBINFHSA-N 1 0 388.583 2.657 20 0 GFADRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)[C@H](c1ccc(Br)cc1)N1CCCC1 ZINC000519825885 564592284 /nfs/dbraw/zinc/59/22/84/564592284.db2.gz NTSMUBDQBAYGOJ-KEYYUXOJSA-N 1 0 380.330 2.782 20 0 GFADRO CCN1CC[NH+](C[C@H](C)CNC(=O)N2CCc3sc(Cl)cc3C2)CC1 ZINC000572397773 564593157 /nfs/dbraw/zinc/59/31/57/564593157.db2.gz LXILLZUTVQGIDL-CQSZACIVSA-N 1 0 384.977 2.743 20 0 GFADRO CS[C@@H]1CN(CC(=O)N(C)Cc2ccc(Cl)s2)C[C@H]1[NH+]1CCCC1 ZINC000484637065 564593830 /nfs/dbraw/zinc/59/38/30/564593830.db2.gz HYGQMCNBCGXUKA-HUUCEWRRSA-N 1 0 388.002 2.872 20 0 GFADRO C[C@@H](CNC(=O)N1CC[C@@H](C[NH+](C)C)C1)Oc1ccc(Br)cc1 ZINC000484713115 564595620 /nfs/dbraw/zinc/59/56/20/564595620.db2.gz XBMASZUNVXGNRA-KBPBESRZSA-N 1 0 384.318 2.810 20 0 GFADRO C[N@@H+]1CCC[C@@]2(CCN(S(=O)(=O)Cc3ccccc3Br)C2)C1 ZINC000549509647 564595868 /nfs/dbraw/zinc/59/58/68/564595868.db2.gz WEIVMOPICIGQOW-MRXNPFEDSA-N 1 0 387.343 2.697 20 0 GFADRO C[NH+](C)[C@H]1CCc2cc(NC(=O)Cn3cc(Br)ccc3=O)ccc21 ZINC000456289787 564599281 /nfs/dbraw/zinc/59/92/81/564599281.db2.gz XYRLFSMHLIQTQV-INIZCTEOSA-N 1 0 390.281 2.798 20 0 GFADRO O=C(NC[C@@H]1C[NH2+]CCCO1)N1CCC[C@@H]1c1ccc(Br)s1 ZINC000572586740 564600707 /nfs/dbraw/zinc/60/07/07/564600707.db2.gz MFHQHTOWDMYICY-NWDGAFQWSA-N 1 0 388.331 2.736 20 0 GFADRO COc1ccc(C(=O)NCCC[C@@H]2CCC[NH2+]2)c(I)c1 ZINC000572594393 564601748 /nfs/dbraw/zinc/60/17/48/564601748.db2.gz JYVYXLBXKKRWHM-NSHDSACASA-N 1 0 388.249 2.562 20 0 GFADRO CC[C@H]1C[N@H+](CC)CCN1C(=O)CCNC(=O)c1ccc(Br)cc1 ZINC000456353361 564601824 /nfs/dbraw/zinc/60/18/24/564601824.db2.gz OEZGHWDHSZBBDI-INIZCTEOSA-N 1 0 396.329 2.512 20 0 GFADRO COC[C@@H](C)C(=O)Nc1cc(Br)ccc1N1CC[N@H+](C)C[C@@H]1C ZINC000456379579 564604461 /nfs/dbraw/zinc/60/44/61/564604461.db2.gz VPCPHPQBSYEIMU-OLZOCXBDSA-N 1 0 384.318 2.810 20 0 GFADRO CCOCCC[N@@H+]1CC[C@H](NS(=O)(=O)c2cc(F)cc(Cl)c2)[C@H](C)C1 ZINC000549815455 564606720 /nfs/dbraw/zinc/60/67/20/564606720.db2.gz QVKMMOODDMFNKM-DYVFJYSZSA-N 1 0 392.924 2.894 20 0 GFADRO C[C@H](C[C@H](C)[NH3+])NS(=O)(=O)c1cc(Br)cc(C(F)(F)F)c1 ZINC000572721010 564607615 /nfs/dbraw/zinc/60/76/15/564607615.db2.gz LZRVFBPWGWERJT-JGVFFNPUSA-N 1 0 389.237 2.872 20 0 GFADRO [NH3+]CCC1CCN(C(=O)N[C@H]2CCN(c3ccc(Br)cc3)C2)CC1 ZINC000520594057 564608523 /nfs/dbraw/zinc/60/85/23/564608523.db2.gz CWHBQBNGUKNKFF-INIZCTEOSA-N 1 0 395.345 2.798 20 0 GFADRO O[C@@H](C[NH2+]CCc1cn2c(n1)SCC2)COc1cc(Cl)ccc1Cl ZINC000572752830 564609197 /nfs/dbraw/zinc/60/91/97/564609197.db2.gz KFWPDNMKZKXQLI-ZDUSSCGKSA-N 1 0 388.320 2.868 20 0 GFADRO COCCN(CC[NH+](C)C)C(=O)N[C@H]1C[C@H]1c1cccc(Br)c1 ZINC000520781581 564612891 /nfs/dbraw/zinc/61/28/91/564612891.db2.gz SYANRCSDRSKTPK-HOTGVXAUSA-N 1 0 384.318 2.525 20 0 GFADRO C[N@H+](CC(=O)NCc1nc2ccc(Br)cc2o1)[C@H]1CCSC1 ZINC000572871263 564613300 /nfs/dbraw/zinc/61/33/00/564613300.db2.gz DEZHMJIMFVMWHL-NSHDSACASA-N 1 0 384.299 2.644 20 0 GFADRO CC[C@H](C(=O)Nc1cc(Br)c(=O)n(C)c1)[N@H+](C)Cc1ccccc1 ZINC000550127703 564615184 /nfs/dbraw/zinc/61/51/84/564615184.db2.gz MOJSQYDVFHVZTG-MRXNPFEDSA-N 1 0 392.297 2.997 20 0 GFADRO CC[C@H]1C[N@H+](C)CCCN1S(=O)(=O)Cc1cccc(Br)c1 ZINC000572922632 564615375 /nfs/dbraw/zinc/61/53/75/564615375.db2.gz VOVWJQNWJMXRJT-HNNXBMFYSA-N 1 0 375.332 2.695 20 0 GFADRO Brc1cccc(-c2noc(-c3cn(C[C@H]4CCC[NH2+]4)nn3)n2)c1 ZINC000572955300 564617257 /nfs/dbraw/zinc/61/72/57/564617257.db2.gz VWKAPRGHERAVGU-GFCCVEGCSA-N 1 0 375.230 2.510 20 0 GFADRO O=C(C1CC[NH+]([C@H]2CCSC2)CC1)N1CCC(n2cc(Cl)cn2)CC1 ZINC000521066672 564617917 /nfs/dbraw/zinc/61/79/17/564617917.db2.gz MOWIAZDOQQIQAD-KRWDZBQOSA-N 1 0 382.961 2.918 20 0 GFADRO O=C(c1[nH]nc(-c2ccccc2)c1Br)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000573059134 564621101 /nfs/dbraw/zinc/62/11/01/564621101.db2.gz YBVVWKVCLVWHQQ-QWHCGFSZSA-N 1 0 375.270 2.663 20 0 GFADRO COCC[C@]1([NH2+]CC(=O)N[C@@H](C)c2ccc(Cl)c(Cl)c2)CCOC1 ZINC000573057075 564621115 /nfs/dbraw/zinc/62/11/15/564621115.db2.gz JXWNTLCDTZBYST-SJCJKPOMSA-N 1 0 375.296 2.956 20 0 GFADRO C[C@@H](NC(=O)C(=O)N(C)CC1([NH+](C)C)CCC1)c1ccc(Br)cc1 ZINC000550363179 564621478 /nfs/dbraw/zinc/62/14/78/564621478.db2.gz IAVCNSSHTOQNNV-CYBMUJFWSA-N 1 0 396.329 2.569 20 0 GFADRO C[C@H]1Cc2cc(S(=O)(=O)N3CCC([C@H]4CC[NH2+]C4)CC3)cc(Cl)c2O1 ZINC000573119694 564623165 /nfs/dbraw/zinc/62/31/65/564623165.db2.gz JWWKEKLXMUEDJA-JSGCOSHPSA-N 1 0 384.929 2.674 20 0 GFADRO O=C(N1CCc2sc(Cl)cc2C1)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000573122544 564623337 /nfs/dbraw/zinc/62/33/37/564623337.db2.gz JVLDSNJFFCEKHA-IBGZPJMESA-N 1 0 376.909 2.923 20 0 GFADRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]CC(=O)Nc3ccc(Br)cc3)[C@@H]2C1 ZINC000573132867 564624299 /nfs/dbraw/zinc/62/42/99/564624299.db2.gz IJVIESVEVOOLCR-XKQJLSEDSA-N 1 0 394.313 2.624 20 0 GFADRO O=S(=O)(N[C@H]1CCCN(Cc2ccc(F)cc2Cl)C1)N1CCCCC1 ZINC000521376911 564625538 /nfs/dbraw/zinc/62/55/38/564625538.db2.gz RQRGGGNCSJWJJX-INIZCTEOSA-N 1 0 389.924 2.764 20 0 GFADRO CCN(Cc1cccc(Br)c1)C(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000485809987 564626469 /nfs/dbraw/zinc/62/64/69/564626469.db2.gz IFOVIYIJLPRBJP-ZDUSSCGKSA-N 1 0 377.286 2.911 20 0 GFADRO CN(C)[C@@H](C[NH2+][C@H]1CCCc2cc(S(N)(=O)=O)ccc21)c1cccs1 ZINC000550606495 564627848 /nfs/dbraw/zinc/62/78/48/564627848.db2.gz VYTSFFSTBIXRGU-IRXDYDNUSA-N 1 0 379.551 2.665 20 0 GFADRO Cc1c(Br)cccc1CN1C(=O)N[C@]2(CCCC[C@H]2C[NH3+])C1=O ZINC000573203659 564628542 /nfs/dbraw/zinc/62/85/42/564628542.db2.gz PZKKQXDKMLQLFL-GUYCJALGSA-N 1 0 380.286 2.697 20 0 GFADRO C[C@@H]1CN(C[C@@H](O)C[NH2+]CCc2nc3cc(Cl)ccc3s2)C[C@@H](C)O1 ZINC000521491383 564628618 /nfs/dbraw/zinc/62/86/18/564628618.db2.gz QXGQIHQNZNEYDP-NFAWXSAZSA-N 1 0 383.945 2.552 20 0 GFADRO C[C@H](C(=O)NC(C)(C)C)N(C)C[C@H](O)COc1ccc(Cl)cc1Cl ZINC000485880742 564629016 /nfs/dbraw/zinc/62/90/16/564629016.db2.gz JSCWZNKZRDREJJ-YPMHNXCESA-N 1 0 377.312 2.968 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NCc2cccc(Cl)c2Cl)C[C@@H]1C ZINC000550814787 564632559 /nfs/dbraw/zinc/63/25/59/564632559.db2.gz YQFVNBONJRPMDM-GXTWGEPZSA-N 1 0 386.323 2.941 20 0 GFADRO Cc1[nH]c(=O)c(Br)cc1C(=O)N1CC([N@H+](C)Cc2ccccc2)C1 ZINC000573394721 564635628 /nfs/dbraw/zinc/63/56/28/564635628.db2.gz JHSRKPARNBOSMJ-UHFFFAOYSA-N 1 0 390.281 2.815 20 0 GFADRO CC[NH+]1CCN(CC(C)(C)NC(=O)Cc2ccc(Br)cc2)CC1 ZINC000456876159 564636434 /nfs/dbraw/zinc/63/64/34/564636434.db2.gz ASNQTDWDOCRXOP-UHFFFAOYSA-N 1 0 382.346 2.524 20 0 GFADRO CC[NH+]1CCN(CC(C)(C)NC(=O)c2csc(Br)c2C)CC1 ZINC000456890068 564637597 /nfs/dbraw/zinc/63/75/97/564637597.db2.gz YLDOOVVZBYJOPU-UHFFFAOYSA-N 1 0 388.375 2.965 20 0 GFADRO COCCO[C@@H]1COCC[C@H]1[NH2+][C@H]1CCc2c1c(Br)ccc2F ZINC000486068586 564637470 /nfs/dbraw/zinc/63/74/70/564637470.db2.gz ZACHTHPZQDJKCI-OWCLPIDISA-N 1 0 388.277 2.986 20 0 GFADRO C[C@H](CNC(=O)C(=O)N(C)Cc1c(Cl)cccc1Cl)C[NH+]1CCCC1 ZINC000551124032 564638280 /nfs/dbraw/zinc/63/82/80/564638280.db2.gz RRPCOJMROOIBFM-CYBMUJFWSA-N 1 0 386.323 2.800 20 0 GFADRO CC[N@H+](CCNS(=O)(=O)c1cccc(Br)c1Cl)C1CC1 ZINC000551139241 564638931 /nfs/dbraw/zinc/63/89/31/564638931.db2.gz DHOAPNLVWGMIFA-UHFFFAOYSA-N 1 0 381.723 2.865 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000521999060 564641574 /nfs/dbraw/zinc/64/15/74/564641574.db2.gz XSZMMERZHPLPFM-BXUZGUMPSA-N 1 0 377.286 2.814 20 0 GFADRO CN(C(=O)NCCOc1cccc(Br)c1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000522078854 564643244 /nfs/dbraw/zinc/64/32/44/564643244.db2.gz XUGIQEHKGLVHNE-HNNXBMFYSA-N 1 0 382.302 2.706 20 0 GFADRO O=S(=O)(c1ccc(OC(F)F)c(Cl)c1)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000573608419 564646249 /nfs/dbraw/zinc/64/62/49/564646249.db2.gz PVOFNLIMRKINIK-VXGBXAGGSA-N 1 0 394.871 2.952 20 0 GFADRO O=S(=O)(CC[NH2+][C@@H]1CCC[C@@H]2OCC[C@H]21)c1cccc(Br)c1 ZINC000573597824 564646320 /nfs/dbraw/zinc/64/63/20/564646320.db2.gz WHYBMSPOLVITNH-XHSDSOJGSA-N 1 0 388.327 2.770 20 0 GFADRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)Cc2cccc(I)c2)C1 ZINC000457093807 564646572 /nfs/dbraw/zinc/64/65/72/564646572.db2.gz OKMBAXXGDNNMEF-OAHLLOKOSA-N 1 0 386.277 2.775 20 0 GFADRO COc1cc(Br)c(CN2CCC[C@H]([NH+]3CCOCC3)CC2)cc1O ZINC000573623476 564646907 /nfs/dbraw/zinc/64/69/07/564646907.db2.gz BAHHDBCPFMLIIO-HNNXBMFYSA-N 1 0 399.329 2.850 20 0 GFADRO CN(CC[N@H+](C)C1CC1)Cc1ccc(Br)cc1N1CCOCC1 ZINC000573646163 564648080 /nfs/dbraw/zinc/64/80/80/564648080.db2.gz VNEJTWSMNZCYMT-UHFFFAOYSA-N 1 0 382.346 2.812 20 0 GFADRO O=C(N[C@@H]1CCN(c2ccccc2Br)C1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000522287010 564649133 /nfs/dbraw/zinc/64/91/33/564649133.db2.gz BDDRTTMLPYSVGH-UONOGXRCSA-N 1 0 393.329 2.564 20 0 GFADRO C[N@@H+]1CC[C@@]2(CCN(C(=O)NCc3nc4c(cccc4Br)[nH]3)C2)C1 ZINC000573686458 564649843 /nfs/dbraw/zinc/64/98/43/564649843.db2.gz ZXLKNJGYNMXAEB-QGZVFWFLSA-N 1 0 392.301 2.563 20 0 GFADRO C[N@H+](CCCCNC(=O)C(C)(C)S(=O)(=O)c1ccc(Cl)cc1)C1CC1 ZINC000457168018 564650354 /nfs/dbraw/zinc/65/03/54/564650354.db2.gz NCEUAYSLYIOHHD-UHFFFAOYSA-N 1 0 386.945 2.883 20 0 GFADRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2cc(I)c[nH]2)C1 ZINC000522388674 564650950 /nfs/dbraw/zinc/65/09/50/564650950.db2.gz FQVOSUXKRYGXIO-VXGBXAGGSA-N 1 0 389.281 2.717 20 0 GFADRO Cc1cc(Br)cc(NC(=O)C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)c1 ZINC000486390162 564650967 /nfs/dbraw/zinc/65/09/67/564650967.db2.gz YUKOQCGPIPXXHB-MRXNPFEDSA-N 1 0 394.313 2.783 20 0 GFADRO O=C(NCc1n[nH]cc1Br)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000522563809 564652862 /nfs/dbraw/zinc/65/28/62/564652862.db2.gz MFTHWYFUTXHOMC-ZDUSSCGKSA-N 1 0 395.276 2.840 20 0 GFADRO COc1cc(C(=O)N[C@H](C)C2=CC[N@H+](C)CC2)cc(Br)c1OC ZINC000551522960 564653608 /nfs/dbraw/zinc/65/36/08/564653608.db2.gz GDRUFJANDTZCFW-LLVKDONJSA-N 1 0 383.286 2.847 20 0 GFADRO COc1ccc(Br)cc1CNC(=O)N1CC[N@H+](C)[C@H](C(C)C)C1 ZINC000486486671 564653872 /nfs/dbraw/zinc/65/38/72/564653872.db2.gz KQYRUOXHYJUTGA-HNNXBMFYSA-N 1 0 384.318 2.939 20 0 GFADRO CC[C@H]([NH2+]CCCCn1ccnc1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000573829589 564655883 /nfs/dbraw/zinc/65/58/83/564655883.db2.gz QWEQLDBNJQRGEZ-INIZCTEOSA-N 1 0 384.933 2.966 20 0 GFADRO Cc1ncccc1C[NH2+]CC(=O)Nc1ccc(I)cc1 ZINC000551582133 564656215 /nfs/dbraw/zinc/65/62/15/564656215.db2.gz DHYVIXOSGRKQQC-UHFFFAOYSA-N 1 0 381.217 2.723 20 0 GFADRO CCOC(=O)[C@H](Cc1cc(Cl)cc(Cl)c1)NC(=O)[C@@H]1C[N@H+](C)C[C@H]1C ZINC000486611701 564658598 /nfs/dbraw/zinc/65/85/98/564658598.db2.gz RTGYYTSDGHPWLM-LYRGGWFBSA-N 1 0 387.307 2.782 20 0 GFADRO C[N@@H+]1CC[C@@H]2CCN(S(=O)(=O)c3ccc(Br)cc3Cl)[C@H]2C1 ZINC000486670809 564661922 /nfs/dbraw/zinc/66/19/22/564661922.db2.gz MJYZNVQTCHAPME-MFKMUULPSA-N 1 0 393.734 2.817 20 0 GFADRO C[N@@H+]1CC[C@@H]2CCN(c3ncnc4ccc(I)cc43)[C@H]2C1 ZINC000486680168 564662268 /nfs/dbraw/zinc/66/22/68/564662268.db2.gz BMKLJVHTKANSMJ-ABAIWWIYSA-N 1 0 394.260 2.765 20 0 GFADRO COc1ccc(Br)cc1CNC(=O)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000573966894 564662977 /nfs/dbraw/zinc/66/29/77/564662977.db2.gz OSKBJTSBTZMANO-MRXNPFEDSA-N 1 0 375.266 2.788 20 0 GFADRO CC[C@@H](Cc1ccc(Cl)cc1Cl)[NH2+]CC1(O)CCS(=O)(=O)CC1 ZINC000551814293 564664399 /nfs/dbraw/zinc/66/43/99/564664399.db2.gz SRMQTFAFHMWRQZ-AWEZNQCLSA-N 1 0 380.337 2.844 20 0 GFADRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)NCc2n[nH]cc2Br)C1 ZINC000523384614 564665781 /nfs/dbraw/zinc/66/57/81/564665781.db2.gz HDRJUHLRXHJZCR-JSGCOSHPSA-N 1 0 392.301 2.807 20 0 GFADRO COC(=O)CNC(=O)CC[N@H+](Cc1ccccc1Br)C1CCCC1 ZINC000486795020 564666106 /nfs/dbraw/zinc/66/61/06/564666106.db2.gz OGMRQLICMATZMM-UHFFFAOYSA-N 1 0 397.313 2.873 20 0 GFADRO O=C(NCC1CC[NH2+]CC1)N1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000574059949 564667395 /nfs/dbraw/zinc/66/73/95/564667395.db2.gz DSSFDCRWUNRJNE-MRXNPFEDSA-N 1 0 382.302 2.532 20 0 GFADRO C[NH+](C)CCC1CCN(C(=O)c2ccc(Cl)c(NS(C)(=O)=O)c2)CC1 ZINC000523660187 564670225 /nfs/dbraw/zinc/67/02/25/564670225.db2.gz CMZGIWSMYUFCBF-UHFFFAOYSA-N 1 0 387.933 2.515 20 0 GFADRO C[C@@H](CC[NH+](C)C)NC(=O)N[C@H]1CCN(c2ccccc2Br)C1 ZINC000523600942 564670357 /nfs/dbraw/zinc/67/03/57/564670357.db2.gz NJXXOIFEUPKJGW-KBPBESRZSA-N 1 0 383.334 2.667 20 0 GFADRO CC(C)(C)[C@@H]1NC(=O)CC[C@H]1[NH2+]Cc1cc2c(cc1Br)OCO2 ZINC000552021832 564673637 /nfs/dbraw/zinc/67/36/37/564673637.db2.gz USCGPEXEGVDGFI-MLGOLLRUSA-N 1 0 383.286 2.961 20 0 GFADRO CC(C)O[C@@H]1C[C@@H]([NH2+]C[C@H]2CCN(S(=O)(=O)c3cccs3)C2)C1(C)C ZINC000552088566 564676759 /nfs/dbraw/zinc/67/67/59/564676759.db2.gz MEXLJVQSFKKSCN-BZUAXINKSA-N 1 0 386.583 2.940 20 0 GFADRO O[C@@H](C[NH2+]C[C@H]1CCCC[C@@H]1O)COc1ccc(Cl)cc1Br ZINC000574519127 564677350 /nfs/dbraw/zinc/67/73/50/564677350.db2.gz FSXXUFTVSKRZBH-ZLDLUXBVSA-N 1 0 392.721 2.983 20 0 GFADRO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[N@@H+]1CCC[C@H](CCC(N)=O)C1 ZINC000524167218 564678337 /nfs/dbraw/zinc/67/83/37/564678337.db2.gz PFPIGXXAGKXELV-CYBMUJFWSA-N 1 0 386.323 2.929 20 0 GFADRO CC[C@@H]1CN(CC[NH2+]Cc2cnc3c(C)cc(Br)cn23)CCO1 ZINC000487160052 564678473 /nfs/dbraw/zinc/67/84/73/564678473.db2.gz PASMXARYAIEZGD-MRXNPFEDSA-N 1 0 381.318 2.606 20 0 GFADRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)[C@H](c2ccc(Br)cc2)N2CCCC2)C1 ZINC000574571308 564679911 /nfs/dbraw/zinc/67/99/11/564679911.db2.gz DTQVHXKCQCZBNI-XYPHTWIQSA-N 1 0 380.330 2.830 20 0 GFADRO [NH3+][C@H]1CCC[C@@H](CNC(=O)c2ccc(S(=O)(=O)c3ccccc3)s2)C1 ZINC000574630683 564681972 /nfs/dbraw/zinc/68/19/72/564681972.db2.gz NCZJVFUDCKLOFP-KGLIPLIRSA-N 1 0 378.519 2.828 20 0 GFADRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)NCCc1cc(Cl)cc(Cl)c1 ZINC000552195670 564682127 /nfs/dbraw/zinc/68/21/27/564682127.db2.gz WDXXZTUJVMXFLM-MRXNPFEDSA-N 1 0 386.323 2.643 20 0 GFADRO COc1cc(C(=O)N2CC3CCC2(C[NH3+])CC3)cc(OC)c1Br ZINC000574647356 564683391 /nfs/dbraw/zinc/68/33/91/564683391.db2.gz VBTIFWPCBPZOAU-UHFFFAOYSA-N 1 0 383.286 2.810 20 0 GFADRO C[C@@H](Cc1cccc(Br)c1)NC(=O)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000457993000 564683443 /nfs/dbraw/zinc/68/34/43/564683443.db2.gz KGZZFSYQLQIYCB-WMLDXEAASA-N 1 0 398.345 2.526 20 0 GFADRO C[NH+](C)C[C@@H]1CCCCN1C(=O)CCNC(=O)c1ccc(Br)cc1 ZINC000524701194 564685579 /nfs/dbraw/zinc/68/55/79/564685579.db2.gz RTSGFMCJWNFWNN-INIZCTEOSA-N 1 0 396.329 2.512 20 0 GFADRO CC[C@H](CO)[NH+]1CCN(Cc2cc(Br)ccc2OC(F)F)CC1 ZINC000524751120 564686546 /nfs/dbraw/zinc/68/65/46/564686546.db2.gz LVOQIMVBDHITPO-CQSZACIVSA-N 1 0 393.272 2.939 20 0 GFADRO Cc1cc2cc(C(=O)NCCCN3CC[NH2+]CC3)oc2c(Br)c1 ZINC000574755994 564688432 /nfs/dbraw/zinc/68/84/32/564688432.db2.gz FYNBUMJLHKEGKR-UHFFFAOYSA-N 1 0 380.286 2.529 20 0 GFADRO COc1cc(C)c(Br)cc1C(=O)N1C[C@@H](SC)[C@@H]([NH+](C)C)C1 ZINC000552397942 564690051 /nfs/dbraw/zinc/69/00/51/564690051.db2.gz RPWXVCFEBFKPOV-DZGCQCFKSA-N 1 0 387.343 2.884 20 0 GFADRO CCC[C@@H](C(=O)NC[C@H](CO)Cc1cc(F)cc(Br)c1)[NH+](C)C ZINC000458149484 564691261 /nfs/dbraw/zinc/69/12/61/564691261.db2.gz PGWMSWANUNYRDT-CJNGLKHVSA-N 1 0 389.309 2.586 20 0 GFADRO C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000458157977 564691769 /nfs/dbraw/zinc/69/17/69/564691769.db2.gz CWNYAGROOKSOTG-OLZOCXBDSA-N 1 0 386.323 2.960 20 0 GFADRO O=C(CC[NH2+]CCOc1ncccc1F)Nc1ccc(Br)cc1 ZINC000575053332 564691849 /nfs/dbraw/zinc/69/18/49/564691849.db2.gz HNWJKYOKDOPJFI-UHFFFAOYSA-N 1 0 382.233 2.980 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)C[NH2+]C[C@H](O)Cc1ccccc1 ZINC000552462401 564692496 /nfs/dbraw/zinc/69/24/96/564692496.db2.gz SIYQGFWXTJFLTO-MRXNPFEDSA-N 1 0 377.282 2.889 20 0 GFADRO CC[C@H]1CN(CCNC(=O)NCCOc2cccc(Cl)c2Cl)CCO1 ZINC000575188516 564693409 /nfs/dbraw/zinc/69/34/09/564693409.db2.gz LOSUDKPWNICFAS-ZDUSSCGKSA-N 1 0 390.311 2.782 20 0 GFADRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NS(=O)(=O)c1c[nH]c2nccc(Cl)c12 ZINC000487647893 564693544 /nfs/dbraw/zinc/69/35/44/564693544.db2.gz HWZBMSJPDODWMN-UPJWGTAASA-N 1 0 384.933 2.861 20 0 GFADRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NCc1cn(-c2ccccc2Br)nn1 ZINC000552561926 564695975 /nfs/dbraw/zinc/69/59/75/564695975.db2.gz IPPXHCHQDUNDDE-WBMJQRKESA-N 1 0 376.302 2.602 20 0 GFADRO O=C(NC[C@@H]1CCC[N@H+]1CCCO)N[C@H]1CCc2c1cccc2Br ZINC000458285438 564697213 /nfs/dbraw/zinc/69/72/13/564697213.db2.gz SFVIRHCAEFKDKH-GUYCJALGSA-N 1 0 396.329 2.582 20 0 GFADRO Cc1cc(CC(C)(C)C(=O)NC[C@@](C)(O)C[NH+](C)C)ccc1Br ZINC000487923179 564698950 /nfs/dbraw/zinc/69/89/50/564698950.db2.gz XUOAKIOQXMQGDT-GOSISDBHSA-N 1 0 385.346 2.755 20 0 GFADRO Cc1cc(CC(C)(C)C(=O)NC[C@](C)(O)C[NH+](C)C)ccc1Br ZINC000487923180 564699326 /nfs/dbraw/zinc/69/93/26/564699326.db2.gz XUOAKIOQXMQGDT-SFHVURJKSA-N 1 0 385.346 2.755 20 0 GFADRO CC(C)[C@H]1CN(C[C@@H](O)COc2cc(F)cc(Br)c2)CC[N@@H+]1C ZINC000487969749 564700750 /nfs/dbraw/zinc/70/07/50/564700750.db2.gz INIASQNBFKMPAE-NVXWUHKLSA-N 1 0 389.309 2.600 20 0 GFADRO COc1ccc(OC)c(C[NH2+]C[C@H](O)COc2ccc(Br)cc2)c1 ZINC000552810148 564702095 /nfs/dbraw/zinc/70/20/95/564702095.db2.gz OEJPNHSWQZKOII-HNNXBMFYSA-N 1 0 396.281 2.996 20 0 GFADRO O=C(N[C@H]1COc2c1ccc(Cl)c2Cl)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000458460663 564702514 /nfs/dbraw/zinc/70/25/14/564702514.db2.gz IWEGMYVNICLSMF-RISCZKNCSA-N 1 0 388.295 2.573 20 0 GFADRO COCCC[N@H+](C)CCNC(=O)N1CCC[C@H]1c1ccc(Br)cn1 ZINC000458444513 564702813 /nfs/dbraw/zinc/70/28/13/564702813.db2.gz PBPSGDVRPKVELP-INIZCTEOSA-N 1 0 399.333 2.659 20 0 GFADRO CCCC[N@H+](C)C[C@@H](C)NC(=O)CCNC(=O)c1ccc(Br)cc1 ZINC000575757737 564703838 /nfs/dbraw/zinc/70/38/38/564703838.db2.gz KEVUXUQRWROQBC-CQSZACIVSA-N 1 0 398.345 2.806 20 0 GFADRO CNC(=O)c1cccc(C[N@H+](CCO)Cc2cccc(Br)c2)c1 ZINC000488146663 564704730 /nfs/dbraw/zinc/70/47/30/564704730.db2.gz IAAVTZKCINVAPW-UHFFFAOYSA-N 1 0 377.282 2.803 20 0 GFADRO O=S(=O)(c1ccc(F)c(Br)c1)N1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000576016561 564704868 /nfs/dbraw/zinc/70/48/68/564704868.db2.gz FNWCQJTVHFRAKS-GJZGRUSLSA-N 1 0 391.306 2.883 20 0 GFADRO C[C@@H](Cc1ccccc1Br)NC(=O)NC[C@@H]1CCCC[N@@H+]1CCO ZINC000458534647 564705657 /nfs/dbraw/zinc/70/56/57/564705657.db2.gz DUPJTVLMHQBVSO-HOCLYGCPSA-N 1 0 398.345 2.526 20 0 GFADRO CN1CCO[C@@H]([C@H](NC(=O)N2C[C@@H]3C[C@H]2CS3)c2ccc(Cl)cc2)C1 ZINC000458594298 564707325 /nfs/dbraw/zinc/70/73/25/564707325.db2.gz BHKDLXFGSYBUDJ-MWDXBVQZSA-N 1 0 381.929 2.611 20 0 GFADRO CCCSc1nsc(NC(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)n1 ZINC000576209215 564707621 /nfs/dbraw/zinc/70/76/21/564707621.db2.gz ARTYQYGVXRKTQI-UHFFFAOYSA-N 1 0 381.531 3.147 20 0 GFADRO COc1cc(C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc(Br)c1OC ZINC000576269932 564710380 /nfs/dbraw/zinc/71/03/80/564710380.db2.gz BFQXEQPEUIFHTO-ZKYQVNSYSA-N 1 0 383.286 2.666 20 0 GFADRO C[NH+]1CCC(C(=O)N(CCn2ccnc2)Cc2ccc(Br)o2)CC1 ZINC000553153890 564711213 /nfs/dbraw/zinc/71/12/13/564711213.db2.gz OLNMNGCPYFEYET-UHFFFAOYSA-N 1 0 395.301 2.609 20 0 GFADRO Cn1cc(C(C)(C)[NH2+]C[C@H](O)COc2cc(F)cc(Br)c2)cn1 ZINC000525885611 564711686 /nfs/dbraw/zinc/71/16/86/564711686.db2.gz XGGNLQPUEJMGTD-AWEZNQCLSA-N 1 0 386.265 2.586 20 0 GFADRO C[C@@H](Cn1cc(Br)cn1)[NH2+][C@H]1CCCN(C2CCCCC2)C1=O ZINC000525954684 564713607 /nfs/dbraw/zinc/71/36/07/564713607.db2.gz RQXBTSHEITUSQZ-BBRMVZONSA-N 1 0 383.334 2.947 20 0 GFADRO COc1ccc(S(=O)(=O)N2CC([NH2+][C@H]3CS[C@H](C(C)(C)C)C3)C2)cc1 ZINC000488571654 564714610 /nfs/dbraw/zinc/71/46/10/564714610.db2.gz GTQOAOVTDHCEKE-DYVFJYSZSA-N 1 0 384.567 2.578 20 0 GFADRO CC[N@H+](CCNC(=O)N[C@H](CO)c1ccc(Br)c(F)c1)C(C)C ZINC000488668304 564717317 /nfs/dbraw/zinc/71/73/17/564717317.db2.gz SFRFTZCACZEYLA-OAHLLOKOSA-N 1 0 390.297 2.651 20 0 GFADRO CC[C@@H](C)[NH2+][C@H](CNC(=O)NCc1nn(C)cc1Br)c1ccco1 ZINC000458774863 564717717 /nfs/dbraw/zinc/71/77/17/564717717.db2.gz QSWIXOUFTZADBD-BXUZGUMPSA-N 1 0 398.305 2.704 20 0 GFADRO CC(C)(C[NH2+]C1CCC2(CC1)NC(=O)NC2=O)c1cccc(Br)c1 ZINC000553379315 564718394 /nfs/dbraw/zinc/71/83/94/564718394.db2.gz MMLFKUPTRKTMQV-UHFFFAOYSA-N 1 0 394.313 2.837 20 0 GFADRO O=C(CC1CC[NH2+]CC1)NCc1cc(Cl)cc(I)c1 ZINC000576941880 564721321 /nfs/dbraw/zinc/72/13/21/564721321.db2.gz VGAICYINCXKWCA-UHFFFAOYSA-N 1 0 392.668 2.951 20 0 GFADRO CCCC[N@H+](C)CCNC(=O)[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000488842238 564721696 /nfs/dbraw/zinc/72/16/96/564721696.db2.gz WUOYDTSYSGVEDM-MRXNPFEDSA-N 1 0 396.329 2.650 20 0 GFADRO CCCC[N@H+](C)CCNC(=O)[C@@H]1CSCN1C(=O)c1ccc(Cl)cc1 ZINC000488863133 564722670 /nfs/dbraw/zinc/72/26/70/564722670.db2.gz PRLQXJPDIJNQJJ-INIZCTEOSA-N 1 0 383.945 2.703 20 0 GFADRO Cc1cc2c(o1)c(C(=O)NCC[N@@H+]1CCCOCC1)ccc2Br ZINC000526946873 564723809 /nfs/dbraw/zinc/72/38/09/564723809.db2.gz SCXYHBCDZSDWID-UHFFFAOYSA-N 1 0 381.270 2.956 20 0 GFADRO C[C@@H]1[C@H](C)[S@@](=O)CCN1C(=O)N[C@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1 ZINC000526976070 564724772 /nfs/dbraw/zinc/72/47/72/564724772.db2.gz HTYKLQIMBRGMGT-KYTGLLBZSA-N 1 0 383.945 2.636 20 0 GFADRO CCCNC(=O)[C@H]1CCC[N@H+](Cc2cn3ccc(Br)cc3n2)C1 ZINC000577112646 564725584 /nfs/dbraw/zinc/72/55/84/564725584.db2.gz ZPDMKIISCRARFY-ZDUSSCGKSA-N 1 0 379.302 2.835 20 0 GFADRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NS(=O)(=O)Cc1ccccc1Br ZINC000553543383 564725841 /nfs/dbraw/zinc/72/58/41/564725841.db2.gz WXOYNUYCMCTNEY-UONOGXRCSA-N 1 0 389.359 2.989 20 0 GFADRO COc1cc(F)c(Br)cc1S(=O)(=O)N(C)CC[C@@H]([NH3+])C(C)C ZINC000577124595 564726560 /nfs/dbraw/zinc/72/65/60/564726560.db2.gz FXBSOSBNAYNPQU-GFCCVEGCSA-N 1 0 397.310 2.591 20 0 GFADRO O=C(NC/C=C\c1ccc(Br)cc1)NC[C@H](O)C[NH+]1CCCCC1 ZINC000458965397 564726721 /nfs/dbraw/zinc/72/67/21/564726721.db2.gz GASNOWWKVFKJEC-CHYADLBTSA-N 1 0 396.329 2.608 20 0 GFADRO CC[NH+](CC)Cc1ccc(C(=O)NCCn2cc(Br)cn2)cc1 ZINC000553585064 564728660 /nfs/dbraw/zinc/72/86/60/564728660.db2.gz WDJLKZDSRMPFIP-UHFFFAOYSA-N 1 0 379.302 2.917 20 0 GFADRO C[C@@H](NC(=O)N[C@@H](C)C[C@H](C)[NH3+])c1nc(-c2ccc(Br)cc2)no1 ZINC000577219527 564729868 /nfs/dbraw/zinc/72/98/68/564729868.db2.gz KJDBFBNEWPKJBX-GARJFASQSA-N 1 0 396.289 2.985 20 0 GFADRO C[C@H]([NH3+])C[C@H](C)NC(=O)N[C@@H](C)c1nc(-c2ccc(Br)cc2)no1 ZINC000577219526 564729874 /nfs/dbraw/zinc/72/98/74/564729874.db2.gz KJDBFBNEWPKJBX-DCAQKATOSA-N 1 0 396.289 2.985 20 0 GFADRO CCC1(CNC(=O)N(CC[NH+](C)C)Cc2ccc(Br)cc2)COC1 ZINC000459118789 564731680 /nfs/dbraw/zinc/73/16/80/564731680.db2.gz ZWGFOWZRPLUXSW-UHFFFAOYSA-N 1 0 398.345 2.949 20 0 GFADRO COCC[N@@H+]1CC[C@@H](NC(=O)N2CC[C@@H](Sc3cccc(Cl)c3)C2)C1 ZINC000489164308 564731700 /nfs/dbraw/zinc/73/17/00/564731700.db2.gz CMAUMQNPRGJGCB-NVXWUHKLSA-N 1 0 383.945 2.937 20 0 GFADRO CC[NH+](CC)C[C@H](C)NC(=O)NCC(=O)Nc1cc(Cl)ccc1Cl ZINC000527224877 564734595 /nfs/dbraw/zinc/73/45/95/564734595.db2.gz VBZACXSIAPOIFI-NSHDSACASA-N 1 0 375.300 2.961 20 0 GFADRO C[N@H+](CC1CC1)C[C@@H]1CCN([C@H](C(N)=O)c2cccc(Br)c2)C1 ZINC000489294068 564735014 /nfs/dbraw/zinc/73/50/14/564735014.db2.gz QDMDEIRKBNEHQJ-YOEHRIQHSA-N 1 0 380.330 2.639 20 0 GFADRO CC[N@@H+]1C[C@@H](C)N(C(=O)NCc2nc3c(cccc3Br)[nH]2)C[C@@H]1C ZINC000459226453 564737455 /nfs/dbraw/zinc/73/74/55/564737455.db2.gz YLANLZDYFANUOF-NWDGAFQWSA-N 1 0 394.317 2.950 20 0 GFADRO C[C@@H]1CN(c2ccc(Cl)c(F)c2)CCN1C(=O)C[N@H+](C)[C@@H]1CCSC1 ZINC000553827828 564738527 /nfs/dbraw/zinc/73/85/27/564738527.db2.gz RUVGMWRASCXELV-UKRRQHHQSA-N 1 0 385.936 2.954 20 0 GFADRO C[N@@H+]1CCCC[C@H]1CN1CCN(Cc2cccc(O)c2Br)CC1 ZINC000459334275 564739641 /nfs/dbraw/zinc/73/96/41/564739641.db2.gz LFQHYINUHZOGJP-INIZCTEOSA-N 1 0 382.346 2.757 20 0 GFADRO COCC[N@H+](C[C@H](O)COc1ccc(Cl)cc1Cl)[C@H]1CCO[C@H]1C ZINC000489493841 564742028 /nfs/dbraw/zinc/74/20/28/564742028.db2.gz GJBIMFISCLAVLA-NOLJZWGESA-N 1 0 378.296 2.859 20 0 GFADRO CCCCS(=O)(=O)Nc1ccc(NC(=O)C[N@H+](C)[C@H]2CCSC2)cc1 ZINC000489543959 564742588 /nfs/dbraw/zinc/74/25/88/564742588.db2.gz BBHSLCLXPDYGFU-INIZCTEOSA-N 1 0 385.555 2.604 20 0 GFADRO FC(F)(F)c1cnc(NCC[NH2+][C@H](C2CC2)[C@H]2CNCCO2)c(Cl)c1 ZINC000578348166 564743574 /nfs/dbraw/zinc/74/35/74/564743574.db2.gz QTKMGYNUZRMFBC-ZIAGYGMSSA-N 1 0 378.826 2.522 20 0 GFADRO C[C@@H]1NC(=O)N(CC[NH2+][C@H](CC2CC2)c2cc(F)cc(Br)c2)C1=O ZINC000459425494 564744141 /nfs/dbraw/zinc/74/41/41/564744141.db2.gz KQLYPZMVHRBKJL-ZUZCIYMTSA-N 1 0 398.276 2.959 20 0 GFADRO CCO[C@@H]1C[C@H]([NH2+]C[C@@H](O)COc2ccccc2Br)[C@H]1SC ZINC000459429711 564744804 /nfs/dbraw/zinc/74/48/04/564744804.db2.gz HWHIVNSZZXWALB-WXYCVUISSA-N 1 0 390.343 2.687 20 0 GFADRO CCOc1cc(C[NH2+][C@@H](C)[C@@H](C)N2CCOCC2)cc(Br)c1O ZINC000459435951 564744878 /nfs/dbraw/zinc/74/48/78/564744878.db2.gz WDUAYLUUWYYJND-QWHCGFSZSA-N 1 0 387.318 2.752 20 0 GFADRO Oc1cccc(CNC[C@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)c1Br ZINC000459463970 564746069 /nfs/dbraw/zinc/74/60/69/564746069.db2.gz WIGDTPBAZNTEQV-IAGOWNOFSA-N 1 0 391.309 2.880 20 0 GFADRO O=C(N[C@H]1CC[N@@H+](C2CC2)C1)N1CCc2ccc(F)c(Br)c2C1 ZINC000527594142 564748699 /nfs/dbraw/zinc/74/86/99/564748699.db2.gz MCWBFZIFRQCPNB-LBPRGKRZSA-N 1 0 382.277 2.893 20 0 GFADRO CC(=O)NCc1ccc(-c2nc(NC(=O)[C@@]3(C)CC[NH2+]C3)sc2C)s1 ZINC000580304128 564755196 /nfs/dbraw/zinc/75/51/96/564755196.db2.gz ZVVVFXLNJHEXSX-KRWDZBQOSA-N 1 0 378.523 2.754 20 0 GFADRO CO[C@@H]1COC[C@@H]1[NH2+][C@@H]1CCCN(c2c(C)cc(Br)cc2C)C1=O ZINC000580412382 564757046 /nfs/dbraw/zinc/75/70/46/564757046.db2.gz ACNWRARMMJSQHB-OWCLPIDISA-N 1 0 397.313 2.565 20 0 GFADRO OCCN1CCCC[C@H]1C[NH2+]Cc1c[nH]nc1-c1ccc(Br)s1 ZINC000527711912 564757543 /nfs/dbraw/zinc/75/75/43/564757543.db2.gz BUHCZDFAEFGAGQ-ZDUSSCGKSA-N 1 0 399.358 2.837 20 0 GFADRO C[C@H](Cc1ccc(Br)cc1)[NH2+]CC1(N2CCOCC2)CCOCC1 ZINC000459709481 564757518 /nfs/dbraw/zinc/75/75/18/564757518.db2.gz LGPKBHARCQWYFU-MRXNPFEDSA-N 1 0 397.357 2.851 20 0 GFADRO COC[C@@H](NC[C@H]1CCCCN1S(C)(=O)=O)c1cccc(Cl)c1F ZINC000554376438 564758353 /nfs/dbraw/zinc/75/83/53/564758353.db2.gz PROLDTOKSYSGHW-IUODEOHRSA-N 1 0 378.897 2.570 20 0 GFADRO O=S(=O)(NCCC[C@H]1CCC[NH2+]1)c1ccc(Cl)cc1Br ZINC000580430378 564758426 /nfs/dbraw/zinc/75/84/26/564758426.db2.gz CFVZZNUWERMCMV-LLVKDONJSA-N 1 0 381.723 2.913 20 0 GFADRO C[C@@H](C(=O)NC(=O)NCC(F)(F)F)[N@@H+]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000554365050 564758577 /nfs/dbraw/zinc/75/85/77/564758577.db2.gz XZNNRFIXKZADPJ-CMPLNLGQSA-N 1 0 377.794 2.906 20 0 GFADRO CN(CCC[NH+]1CCN(C)CC1)Cc1ncc(Cl)cc1Br ZINC000527729665 564758798 /nfs/dbraw/zinc/75/87/98/564758798.db2.gz LMQKXYWEBRZIDU-UHFFFAOYSA-N 1 0 375.742 2.567 20 0 GFADRO CC(C)n1cc(C[NH2+]C[C@H](CO)Cc2cc(F)cc(Br)c2)nn1 ZINC000459710988 564759074 /nfs/dbraw/zinc/75/90/74/564759074.db2.gz VAVGJYIZELPHNM-CYBMUJFWSA-N 1 0 385.281 2.701 20 0 GFADRO CO[C@@H]1C[C@@H]([NH2+]CCS(=O)(=O)c2cccc(Br)c2)C12CCC2 ZINC000459738126 564760105 /nfs/dbraw/zinc/76/01/05/564760105.db2.gz AAMAGNQZCAFTPU-HUUCEWRRSA-N 1 0 388.327 2.770 20 0 GFADRO C[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000580462984 564760430 /nfs/dbraw/zinc/76/04/30/564760430.db2.gz YBXUSIWLADMGLU-VXGBXAGGSA-N 1 0 386.323 2.640 20 0 GFADRO COc1c(Br)cccc1C[NH2+][C@]1(CO)COc2ccccc2C1 ZINC000527769478 564760443 /nfs/dbraw/zinc/76/04/43/564760443.db2.gz PHLAMYJDYVYEQR-GOSISDBHSA-N 1 0 378.266 2.914 20 0 GFADRO COC(=O)c1coc(C[NH2+][C@@H]2CCO[C@H]2c2cncc(Br)c2)c1 ZINC000459778045 564760773 /nfs/dbraw/zinc/76/07/73/564760773.db2.gz ZAKKPXXPEAKIMH-CABCVRRESA-N 1 0 381.226 2.844 20 0 GFADRO COc1cc(Cl)c(S(=O)(=O)N2CCC[C@]3(CC[NH2+]C3)C2)cc1Cl ZINC000490069750 564762398 /nfs/dbraw/zinc/76/23/98/564762398.db2.gz YGKIHNSXSIUCKR-OAHLLOKOSA-N 1 0 379.309 2.766 20 0 GFADRO COc1c(Br)cc(C[N@H+](C)CCNC(C)=O)cc1Br ZINC000580565372 564764894 /nfs/dbraw/zinc/76/48/94/564764894.db2.gz DIPGPJGIECDIMZ-UHFFFAOYSA-N 1 0 394.107 2.788 20 0 GFADRO COC[C@@]1(CNC(=O)c2cc3c(cc(Br)cc3F)[nH]2)CCC[NH2+]1 ZINC000580564483 564765032 /nfs/dbraw/zinc/76/50/32/564765032.db2.gz CKQWJYGSJUVQPU-INIZCTEOSA-N 1 0 384.249 2.568 20 0 GFADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc(Br)c(OC)c(OC)c2)C1 ZINC000580563089 564765082 /nfs/dbraw/zinc/76/50/82/564765082.db2.gz XZPQTBMTAZPDLZ-LBPRGKRZSA-N 1 0 385.302 2.880 20 0 GFADRO CC[NH+]1CCN(Cc2ccccc2CNC(=O)[C@@H]2C[C@]2(C)Br)CC1 ZINC000527942640 564765270 /nfs/dbraw/zinc/76/52/70/564765270.db2.gz XFWJSDGYWPDBOZ-HKUYNNGSSA-N 1 0 394.357 2.614 20 0 GFADRO C[C@H](NC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1)c1cc(F)c(Cl)cc1Cl ZINC000580577070 564765836 /nfs/dbraw/zinc/76/58/36/564765836.db2.gz HFPNZZCLHKRPFE-DCAQKATOSA-N 1 0 390.286 2.909 20 0 GFADRO C[NH2+]C[C@H](C)C(=O)N(CCn1ccnc1)Cc1ccccc1Br ZINC000580643491 564767954 /nfs/dbraw/zinc/76/79/54/564767954.db2.gz DLEAJGVSELZDCK-AWEZNQCLSA-N 1 0 379.302 2.530 20 0 GFADRO O=S(=O)(c1csc2ccccc21)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000528060905 564769129 /nfs/dbraw/zinc/76/91/29/564769129.db2.gz MSGGVWILXXXYGI-OAHLLOKOSA-N 1 0 380.535 2.681 20 0 GFADRO Cc1nc2cc(Cl)c(NC(=O)C(=O)NC[C@@H]3CCC[N@@H+](C)C3)cc2s1 ZINC000580689749 564769230 /nfs/dbraw/zinc/76/92/30/564769230.db2.gz LCRAZXNFCYCPGP-NSHDSACASA-N 1 0 380.901 2.655 20 0 GFADRO CCN(C)C(=O)C(=O)N(CC[NH+]1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC000460082140 564769875 /nfs/dbraw/zinc/76/98/75/564769875.db2.gz ZSNKFBGANRZQFM-UHFFFAOYSA-N 1 0 386.323 2.896 20 0 GFADRO CN(C)CC[N@H+](C)CCCN(C)C(=O)NCCc1ccccc1Br ZINC000460168260 564771311 /nfs/dbraw/zinc/77/13/11/564771311.db2.gz YVEVCISSPDDDSG-UHFFFAOYSA-N 1 0 399.377 2.517 20 0 GFADRO C[C@H]1CN(S(=O)(=O)c2cccc(Br)c2)CC[N@@H+](C2CCC2)C1 ZINC000490448754 564771507 /nfs/dbraw/zinc/77/15/07/564771507.db2.gz XRFTYQURAPYBGC-CYBMUJFWSA-N 1 0 387.343 2.944 20 0 GFADRO CSC1(CNS(=O)(=O)c2ccc(OC(C)C)c(C)c2)CC[NH+](C)CC1 ZINC000580743477 564772082 /nfs/dbraw/zinc/77/20/82/564772082.db2.gz DPMQLDGOMMGXAN-UHFFFAOYSA-N 1 0 386.583 2.888 20 0 GFADRO O=C(NC1CC[NH+](C2CC2)CC1)[C@H]1CC(=O)Nc2ccc(Br)cc21 ZINC000580752263 564772603 /nfs/dbraw/zinc/77/26/03/564772603.db2.gz BJVOCEDTFSGNDF-HNNXBMFYSA-N 1 0 392.297 2.618 20 0 GFADRO CC1([NH+]2CCOCC2)CCN(c2nc(C3CC3)ncc2Br)CC1 ZINC000528189713 564772734 /nfs/dbraw/zinc/77/27/34/564772734.db2.gz GFWDDWUUOSSLGF-UHFFFAOYSA-N 1 0 381.318 2.808 20 0 GFADRO O=C(NCCc1c[nH]c2ccc(Br)cc12)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000580882576 564777286 /nfs/dbraw/zinc/77/72/86/564777286.db2.gz CLLFEEUANWOVNB-GXTWGEPZSA-N 1 0 391.313 2.724 20 0 GFADRO CO[C@H]1C[C@H]2C[C@@H]([NH2+]CCNC(=O)c3ccc(Br)cc3)C[C@H]2C1 ZINC000580887431 564778821 /nfs/dbraw/zinc/77/88/21/564778821.db2.gz WRQRZOWCVFHSPC-MDBPOYHNSA-N 1 0 381.314 2.972 20 0 GFADRO COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)N[C@H](C)C[N@H+](C)C(C)C ZINC000554962998 564779113 /nfs/dbraw/zinc/77/91/13/564779113.db2.gz XAYLBLLCSHULIG-SNVBAGLBSA-N 1 0 397.324 2.787 20 0 GFADRO CCC[N@H+](CC)C[C@@H](C)NC(=O)Nc1ccc(Cl)c(S(C)(=O)=O)c1 ZINC000554986584 564780318 /nfs/dbraw/zinc/78/03/18/564780318.db2.gz VOUUDLIJUVFEAN-GFCCVEGCSA-N 1 0 375.922 2.985 20 0 GFADRO Cc1cc(I)cc(NC(=O)NCC2=CC[N@H+](C)CC2)c1 ZINC000490675079 564780727 /nfs/dbraw/zinc/78/07/27/564780727.db2.gz VGEBCHRHZXXDLP-UHFFFAOYSA-N 1 0 385.249 2.983 20 0 GFADRO CS[C@H]1CN(C(=O)c2cc(Br)cc(N(C)C)c2)C[C@@H]1[NH+](C)C ZINC000490861785 564783483 /nfs/dbraw/zinc/78/34/83/564783483.db2.gz XDGRLRLQGKDVQH-GJZGRUSLSA-N 1 0 386.359 2.633 20 0 GFADRO Cc1cc(C(C)(C)C(=O)Nc2ccn(CC[NH+](C)C)n2)ccc1Br ZINC000555147534 564784550 /nfs/dbraw/zinc/78/45/50/564784550.db2.gz PRVAWXIQTJWBQO-UHFFFAOYSA-N 1 0 393.329 3.432 20 0 GFADRO CSC1(CNC(=O)N[C@H](C)[C@H]2OCCc3sccc32)CC[NH+](C)CC1 ZINC000491078566 564786436 /nfs/dbraw/zinc/78/64/36/564786436.db2.gz PEWRIRKERJMDII-CZUORRHYSA-N 1 0 383.583 2.877 20 0 GFADRO Fc1ccc(I)c(F)c1CN1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000581072273 564786544 /nfs/dbraw/zinc/78/65/44/564786544.db2.gz VXCLIIBXJTUOJL-VHSXEESVSA-N 1 0 378.204 2.611 20 0 GFADRO CCN1C[C@@H](C)N(C(=O)C(=O)N[C@H](C)c2ccc(Br)cc2)C[C@@H]1C ZINC000581084519 564786927 /nfs/dbraw/zinc/78/69/27/564786927.db2.gz HWMCBMIVGVQCEG-BFHYXJOUSA-N 1 0 396.329 2.567 20 0 GFADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2c2ccc(Cl)s2)CC1 ZINC000581106278 564787688 /nfs/dbraw/zinc/78/76/88/564787688.db2.gz QWFHJYKAVMDBAB-ZIAGYGMSSA-N 1 0 383.945 2.564 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1cc(Br)sc1Cl ZINC000491336855 564790408 /nfs/dbraw/zinc/79/04/08/564790408.db2.gz XCFPCJZWOUFOSX-MRVPVSSYSA-N 1 0 387.752 2.927 20 0 GFADRO COc1cc(OC)c(S(=O)(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)cc1Cl ZINC000528547563 564792897 /nfs/dbraw/zinc/79/28/97/564792897.db2.gz HGLJAWNFOFQSMK-ZDUSSCGKSA-N 1 0 388.917 2.652 20 0 GFADRO CCOCCOc1ccc(Br)cc1C[NH2+]C[C@]1(OC)CCOC1 ZINC000461411015 564795787 /nfs/dbraw/zinc/79/57/87/564795787.db2.gz KQWDWMJAWXEPRE-QGZVFWFLSA-N 1 0 388.302 2.760 20 0 GFADRO C[NH+](C)C1(CNC(=O)[C@@H]2C[C@H]2c2csc(Br)c2)CCOCC1 ZINC000528564805 564795903 /nfs/dbraw/zinc/79/59/03/564795903.db2.gz HOSHQZZNHPWBLU-QWHCGFSZSA-N 1 0 387.343 2.841 20 0 GFADRO COc1cc(OC)c(NC(=O)N[C@@H]2CC[NH2+]C23CCC3)cc1Br ZINC000528685768 564800193 /nfs/dbraw/zinc/80/01/93/564800193.db2.gz DVEVKIPBASRDTK-CQSZACIVSA-N 1 0 384.274 2.872 20 0 GFADRO [NH3+]CC1(NC(=O)Nc2nnc(-c3c(F)cccc3Cl)s2)CCOCC1 ZINC000528687292 564800350 /nfs/dbraw/zinc/80/03/50/564800350.db2.gz JNPCBBOGHAJUSE-UHFFFAOYSA-N 1 0 385.852 2.627 20 0 GFADRO COCC[NH2+]C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)CC1 ZINC000581433947 564802082 /nfs/dbraw/zinc/80/20/82/564802082.db2.gz DINBAXFNZDJUBY-UHFFFAOYSA-N 1 0 381.325 2.524 20 0 GFADRO COCCOc1c(Cl)cc(S(=O)(=O)N2CC[C@H]([NH3+])C[C@@H]2C)cc1Cl ZINC000581496739 564805072 /nfs/dbraw/zinc/80/50/72/564805072.db2.gz WYFCOLOTZMCOQY-QWRGUYRKSA-N 1 0 397.324 2.519 20 0 GFADRO COc1ccc(S(=O)(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)c(Cl)c1Cl ZINC000461894676 564807556 /nfs/dbraw/zinc/80/75/56/564807556.db2.gz OSZRDTADXBAQAM-WDEREUQCSA-N 1 0 379.309 2.668 20 0 GFADRO COC(=O)c1cc(Br)cc(C(=O)N2CC[NH+](C3CCCC3)CC2)c1 ZINC000461894413 564807795 /nfs/dbraw/zinc/80/77/95/564807795.db2.gz MSCAFICHHYWXRH-UHFFFAOYSA-N 1 0 395.297 2.936 20 0 GFADRO CC(C)[N@@H+](C)C[C@H](C)NC(=O)N(CCO)Cc1cc(Br)cs1 ZINC000462007316 564810632 /nfs/dbraw/zinc/81/06/32/564810632.db2.gz ZUXIGRIBHUETQX-LBPRGKRZSA-N 1 0 392.363 2.743 20 0 GFADRO COc1cc2[nH+]ccc(N[C@@H]3CCC(=O)N[C@@H]3C3CC3)c2cc1Br ZINC000581663367 564813011 /nfs/dbraw/zinc/81/30/11/564813011.db2.gz TXWDWOPIEZCBFJ-RDTXWAMCSA-N 1 0 390.281 2.897 20 0 GFADRO Cc1[nH]c(=O)c(Br)cc1C(=O)N[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000581682681 564813693 /nfs/dbraw/zinc/81/36/93/564813693.db2.gz GNIBLNMMUGFATD-GOEBONIOSA-N 1 0 390.281 2.686 20 0 GFADRO C[NH+](C)[C@@H]1CCCN(S(=O)(=O)c2cccc(Cl)c2Br)C1 ZINC000493952044 564814007 /nfs/dbraw/zinc/81/40/07/564814007.db2.gz GZMXLDMKPJMIKM-SNVBAGLBSA-N 1 0 381.723 2.817 20 0 GFADRO Cc1cc(Br)cc2c1[C@H]([NH2+]CCCN1CCC[C@H]1C(N)=O)CC2 ZINC000493962516 564814844 /nfs/dbraw/zinc/81/48/44/564814844.db2.gz UYQQGQLSKTYCMJ-CVEARBPZSA-N 1 0 380.330 2.674 20 0 GFADRO O=S(=O)(CCc1ccccc1Br)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000462093458 564818551 /nfs/dbraw/zinc/81/85/51/564818551.db2.gz NDXFNJJUVYFOLJ-JKSUJKDBSA-N 1 0 387.343 2.538 20 0 GFADRO Brc1cc2c(cc1C[N@@H+]1CC[C@@H](c3nnc[nH]3)C1)OCCCO2 ZINC000581814463 564818823 /nfs/dbraw/zinc/81/88/23/564818823.db2.gz VKFMORYJKUOOQD-LLVKDONJSA-N 1 0 379.258 2.718 20 0 GFADRO C[N@H+](CCC(=O)N1CCOCC1)Cc1cc(Br)ccc1Cl ZINC000494243500 564820245 /nfs/dbraw/zinc/82/02/45/564820245.db2.gz ATHKGGPLZITETR-UHFFFAOYSA-N 1 0 375.694 2.783 20 0 GFADRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNS(=O)(=O)c2csc(C(=O)OC)c2)C1 ZINC000462140534 564823184 /nfs/dbraw/zinc/82/31/84/564823184.db2.gz POSCBAPZIPVITP-CYBMUJFWSA-N 1 0 388.555 2.714 20 0 GFADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)c1 ZINC000462138200 564823217 /nfs/dbraw/zinc/82/32/17/564823217.db2.gz IFUOQCLORLRHKV-OAHLLOKOSA-N 1 0 390.933 2.771 20 0 GFADRO COc1cc(C(=O)NCc2cnc3n2CCCC3)cc(Br)c1OC ZINC000581934490 564823562 /nfs/dbraw/zinc/82/35/62/564823562.db2.gz RZCCYZUIVDOXAD-UHFFFAOYSA-N 1 0 394.269 2.929 20 0 GFADRO C[NH+](C)C[C@@]1(O)CCCN(C(=O)[C@@H]2C[C@H]2c2csc(Br)c2)C1 ZINC000529184768 564825099 /nfs/dbraw/zinc/82/50/99/564825099.db2.gz AKPICMDZYYOJBR-ZENOOKHLSA-N 1 0 387.343 2.529 20 0 GFADRO Cc1cc(I)cnc1NC(=O)c1ccc2c[nH+]cn2c1 ZINC000556427591 564825531 /nfs/dbraw/zinc/82/55/31/564825531.db2.gz ZULUNDPPVQQTMK-UHFFFAOYSA-N 1 0 378.173 2.895 20 0 GFADRO COC(=O)c1cc(Br)cc(C(=O)NC[C@H]2CC[N@H+](CC(C)C)C2)c1 ZINC000462189854 564826705 /nfs/dbraw/zinc/82/67/05/564826705.db2.gz NGEKBOPGXMGUNL-CYBMUJFWSA-N 1 0 397.313 2.943 20 0 GFADRO C[NH+](C)CC1(NC(=O)[C@@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)CCC1 ZINC000582038444 564827167 /nfs/dbraw/zinc/82/71/67/564827167.db2.gz VPDVWUHXVPWFPL-ZDUSSCGKSA-N 1 0 384.307 2.947 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)C(=O)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000556488917 564827924 /nfs/dbraw/zinc/82/79/24/564827924.db2.gz JCGJWRULAZEUSB-SFHVURJKSA-N 1 0 394.313 2.504 20 0 GFADRO CS[C@H]1CN(S(=O)(=O)c2ccc(C)c(C(F)(F)F)c2)C[C@H]1[NH+](C)C ZINC000556479517 564828105 /nfs/dbraw/zinc/82/81/05/564828105.db2.gz CIRIYVCVHGYXLZ-KGLIPLIRSA-N 1 0 382.473 2.680 20 0 GFADRO Cc1cccc(CC(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)c1Br ZINC000529293673 564828676 /nfs/dbraw/zinc/82/86/76/564828676.db2.gz RIGNDTNTESBCKJ-MRXNPFEDSA-N 1 0 395.341 2.871 20 0 GFADRO C[N@@H+]1CC[C@@H]2OCCN(C(=O)[C@@H]3C[C@H]3c3csc(Br)c3)[C@@H]2C1 ZINC000529326556 564829037 /nfs/dbraw/zinc/82/90/37/564829037.db2.gz YPEZOUOOEXSMOQ-DGAVXFQQSA-N 1 0 385.327 2.546 20 0 GFADRO C[C@H]1CCCN1C(=O)CC[NH+]1CCN(c2cccc(Br)c2)CC1 ZINC000556507654 564829057 /nfs/dbraw/zinc/82/90/57/564829057.db2.gz WNHHPJMBASVEIH-HNNXBMFYSA-N 1 0 380.330 2.972 20 0 GFADRO O=C(C[NH2+][C@H]1CCO[C@@H]1c1ccc(Cl)cc1)NCC(=O)c1cccs1 ZINC000494457957 564830367 /nfs/dbraw/zinc/83/03/67/564830367.db2.gz QVOLQGLDMDQJPT-KBXCAEBGSA-N 1 0 378.881 2.820 20 0 GFADRO O=C(NCc1ccc(Br)c(F)c1F)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000529340017 564830458 /nfs/dbraw/zinc/83/04/58/564830458.db2.gz GYFYYIZRNHCVFC-ZMLRMANQSA-N 1 0 388.256 2.915 20 0 GFADRO CC(C)[C@H]1C[NH2+]CCN1C(=O)N[C@H]1CCOc2c(Br)cccc21 ZINC000529331049 564830545 /nfs/dbraw/zinc/83/05/45/564830545.db2.gz PZTKASUNRXQDAR-LSDHHAIUSA-N 1 0 382.302 2.912 20 0 GFADRO O=C(N[C@@H]1CC[NH2+]C12CCC2)N1CCN(c2cccc(Br)c2)CC1 ZINC000529354790 564831236 /nfs/dbraw/zinc/83/12/36/564831236.db2.gz VCZFSSBCKSUUMQ-MRXNPFEDSA-N 1 0 393.329 2.565 20 0 GFADRO CC[C@H]([NH2+]CC(=O)Nc1ccc(I)cc1)c1cnn(C)c1 ZINC000556611316 564831980 /nfs/dbraw/zinc/83/19/80/564831980.db2.gz ZIRROVRYEOROLO-AWEZNQCLSA-N 1 0 398.248 2.704 20 0 GFADRO CC[C@H]1CN(CC[NH2+][C@H](C)CC(=O)Nc2ccc(Br)cc2)CCO1 ZINC000494505035 564832392 /nfs/dbraw/zinc/83/23/92/564832392.db2.gz ODONYXFLALMJMT-PBHICJAKSA-N 1 0 398.345 2.867 20 0 GFADRO O=C(Nc1ccc(I)cc1F)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000582133104 564832329 /nfs/dbraw/zinc/83/23/29/564832329.db2.gz JOSDVEVJNSAVRH-CQSZACIVSA-N 1 0 389.212 2.648 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2cc(Cl)cc(C(=O)OC)c2)C[C@H]1C ZINC000462331960 564833816 /nfs/dbraw/zinc/83/38/16/564833816.db2.gz BLTSQXXVIKFYEN-IUODEOHRSA-N 1 0 388.917 2.620 20 0 GFADRO CN(C(=O)C[C@H]1CSCC[NH2+]1)[C@H]1CCOc2ccc(Br)cc21 ZINC000582176533 564833858 /nfs/dbraw/zinc/83/38/58/564833858.db2.gz YWRUEPVPVRLIDH-JSGCOSHPSA-N 1 0 385.327 2.826 20 0 GFADRO Cn1ccnc1Sc1ncc(C(=O)N[C@@H](CC[NH3+])C(F)(F)F)cc1Cl ZINC000582180899 564834474 /nfs/dbraw/zinc/83/44/74/564834474.db2.gz VNQOTNDWUMHYEC-JTQLQIEISA-N 1 0 393.822 2.629 20 0 GFADRO C[N@@H+]1CCC[C@H]1[C@@H]1COCCN1C(=O)c1ccc(Br)c(F)c1F ZINC000529422747 564835002 /nfs/dbraw/zinc/83/50/02/564835002.db2.gz GKVDTRWIUKAOOU-STQMWFEESA-N 1 0 389.240 2.663 20 0 GFADRO O=C1c2ccccc2C(=O)N1CC[NH2+]Cc1cc(F)ccc1Br ZINC000582196438 564835383 /nfs/dbraw/zinc/83/53/83/564835383.db2.gz ZGARXHXBSXCKFV-UHFFFAOYSA-N 1 0 377.213 2.974 20 0 GFADRO C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]CCC(=O)N(C)Cc1ccccc1Br ZINC000494680268 564837208 /nfs/dbraw/zinc/83/72/08/564837208.db2.gz MYDXNGITEWBAPS-KDOFPFPSSA-N 1 0 394.357 2.870 20 0 GFADRO C[C@@H](NC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1)c1ncc(Br)cn1 ZINC000556756637 564838106 /nfs/dbraw/zinc/83/81/06/564838106.db2.gz IQLJLISZJPDSFN-UKRRQHHQSA-N 1 0 396.333 2.960 20 0 GFADRO Cc1cc(NC(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)nn1-c1ccc(Cl)cc1Cl ZINC000582288910 564838700 /nfs/dbraw/zinc/83/87/00/564838700.db2.gz KDUPIOXSFFNEOQ-TXEJJXNPSA-N 1 0 380.279 3.171 20 0 GFADRO CS(=O)(=O)N1CC[C@H]([NH2+][C@H](c2cccc(OC(F)(F)F)c2)C2CC2)C1 ZINC000582305644 564839780 /nfs/dbraw/zinc/83/97/80/564839780.db2.gz IGMYFIVBRSCZHX-ZFWWWQNUSA-N 1 0 378.416 2.660 20 0 GFADRO CC[NH+]1CCC(N(C)S(=O)(=O)c2ccc(C)c(Br)c2)CC1 ZINC000462445525 564839836 /nfs/dbraw/zinc/83/98/36/564839836.db2.gz GXBMRIDCQQWCMS-UHFFFAOYSA-N 1 0 375.332 2.862 20 0 GFADRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(Cc2ncc(Br)cc2F)CC1 ZINC000529525898 564840155 /nfs/dbraw/zinc/84/01/55/564840155.db2.gz NPEXARMOGMOUFA-GJZGRUSLSA-N 1 0 399.352 2.974 20 0 GFADRO Cc1c2cc(Br)ccc2oc1C(=O)NC[C@]1(O)C[NH+]2CCC1CC2 ZINC000556852571 564843753 /nfs/dbraw/zinc/84/37/53/564843753.db2.gz IKPRFLJHGMBZIM-SFHVURJKSA-N 1 0 393.281 2.690 20 0 GFADRO COc1ccccc1OCC[NH2+][C@H](C)Cn1cc(Br)ccc1=O ZINC000556876716 564844402 /nfs/dbraw/zinc/84/44/02/564844402.db2.gz KMAVMBDGBOJELG-CYBMUJFWSA-N 1 0 381.270 2.677 20 0 GFADRO Cc1cn2c(n1)[C@H](C[NH2+][C@@H](C)Cn1cc(Br)ccc1=O)CCC2 ZINC000556876243 564844879 /nfs/dbraw/zinc/84/48/79/564844879.db2.gz KZVFNBUKZFRNRF-JSGCOSHPSA-N 1 0 379.302 2.671 20 0 GFADRO CC[NH+](CC)C[C@@H](C)NC(=O)N(CCO)Cc1cc(Br)cs1 ZINC000494953882 564844946 /nfs/dbraw/zinc/84/49/46/564844946.db2.gz QYQQMXWLZHNGNU-GFCCVEGCSA-N 1 0 392.363 2.745 20 0 GFADRO CCCC[NH+]1CCC(NS(=O)(=O)c2cc(Cl)cc(C(=O)OC)c2)CC1 ZINC000462522396 564845206 /nfs/dbraw/zinc/84/52/06/564845206.db2.gz DFTJNHPMAOYHEU-UHFFFAOYSA-N 1 0 388.917 2.669 20 0 GFADRO C[C@@H]1CCC[N@H+](CCNC(=O)NCc2cc(Br)cc3c2OCC3)C1 ZINC000462516439 564845602 /nfs/dbraw/zinc/84/56/02/564845602.db2.gz XSKXWMKZRGTBKP-CYBMUJFWSA-N 1 0 396.329 2.915 20 0 GFADRO Cc1ccc(Br)c(S(=O)(=O)NCC[NH2+][C@@H](C)C2(C)CC2)c1 ZINC000556911498 564845951 /nfs/dbraw/zinc/84/59/51/564845951.db2.gz KEVWXSDSTWCUEN-LBPRGKRZSA-N 1 0 375.332 2.814 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)[C@H]1CCCCC[NH2+]1 ZINC000582421309 564846637 /nfs/dbraw/zinc/84/66/37/564846637.db2.gz SEZSFJGCSOGHAG-CQSZACIVSA-N 1 0 382.302 2.735 20 0 GFADRO CC1(C)CC[C@H]1[NH2+]CCCNS(=O)(=O)c1ccccc1Br ZINC000556915939 564846891 /nfs/dbraw/zinc/84/68/91/564846891.db2.gz PWKQFAJUWHCTRB-CQSZACIVSA-N 1 0 375.332 2.896 20 0 GFADRO COc1ncc(C(=O)NC[C@H]2CC[N@@H+]2C2CCCCC2)cc1Br ZINC000529714685 564848636 /nfs/dbraw/zinc/84/86/36/564848636.db2.gz MMGZCBOYIRVFHY-CQSZACIVSA-N 1 0 382.302 2.990 20 0 GFADRO C[C@@H](CC[NH+](C)C)NC(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000495154469 564849697 /nfs/dbraw/zinc/84/96/97/564849697.db2.gz CJXFJRRELVOUAI-DZGCQCFKSA-N 1 0 383.334 2.667 20 0 GFADRO O=S(=O)(Cc1cc(Cl)ccc1Br)NCCC[NH2+]C1CC1 ZINC000582546289 564850978 /nfs/dbraw/zinc/85/09/78/564850978.db2.gz KXENSOLVFLWULZ-UHFFFAOYSA-N 1 0 381.723 2.664 20 0 GFADRO C[NH+](C)CCOc1cnccc1CNC(=O)c1cccc(F)c1Br ZINC000557062595 564852254 /nfs/dbraw/zinc/85/22/54/564852254.db2.gz ALKCUKLPFDTCSQ-UHFFFAOYSA-N 1 0 396.260 2.854 20 0 GFADRO COc1ccc(Br)cc1C(=O)CCC(=O)N(C)C1(C[NH3+])CCC1 ZINC000582606904 564853651 /nfs/dbraw/zinc/85/36/51/564853651.db2.gz DASKQFODTIWHML-UHFFFAOYSA-N 1 0 383.286 2.760 20 0 GFADRO Cc1cc(NC(=O)C[N@@H+](C)C2(CCO)CCOCC2)ccc1Br ZINC000495455335 564854976 /nfs/dbraw/zinc/85/49/76/564854976.db2.gz NVLWZOXVSFKKDX-UHFFFAOYSA-N 1 0 385.302 2.559 20 0 GFADRO COc1ccc(Br)c(CC(=O)N2C[C@H](SC)[C@@H]([NH+](C)C)C2)c1 ZINC000495606030 564855677 /nfs/dbraw/zinc/85/56/77/564855677.db2.gz HZRZGVNLYFTHBE-GJZGRUSLSA-N 1 0 387.343 2.504 20 0 GFADRO CC1([NH+]2CCOCC2)CCN(C(=O)[C@@H](O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000529908112 564856128 /nfs/dbraw/zinc/85/61/28/564856128.db2.gz CPKKJEURYGMZMR-INIZCTEOSA-N 1 0 387.307 2.740 20 0 GFADRO COc1cc(Br)c(NC(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1OC ZINC000582654035 564856383 /nfs/dbraw/zinc/85/63/83/564856383.db2.gz NOSUFQDAUIOYMH-TXEJJXNPSA-N 1 0 398.301 2.930 20 0 GFADRO OCCOc1ccc(C[NH2+]C[C@@H](O)COc2cc(Cl)ccc2Cl)cc1 ZINC000582666707 564856565 /nfs/dbraw/zinc/85/65/65/564856565.db2.gz YSYCAOOKZJQAAJ-OAHLLOKOSA-N 1 0 386.275 2.894 20 0 GFADRO O=C(NCc1cc(Br)cc2c1OCC2)[C@@H](C1CC1)[NH+]1CCCC1 ZINC000462836199 564859989 /nfs/dbraw/zinc/85/99/89/564859989.db2.gz DEJRZFWUZGURMS-MRXNPFEDSA-N 1 0 379.298 2.875 20 0 GFADRO C[C@H]1CN(C(=O)c2cccc(F)c2Br)CCN1C1CC[NH+](C)CC1 ZINC000496737643 564861360 /nfs/dbraw/zinc/86/13/60/564861360.db2.gz KWRBJBVFRHSUGM-ZDUSSCGKSA-N 1 0 398.320 2.829 20 0 GFADRO C[C@@H]([NH3+])C[C@H](C)NC(=O)NCCCOc1ncc(C(F)(F)F)cc1Cl ZINC000582784714 564861780 /nfs/dbraw/zinc/86/17/80/564861780.db2.gz QGGHSBUGJGMJQA-ZJUUUORDSA-N 1 0 382.814 2.948 20 0 GFADRO Cc1cc(S(=O)(=O)N2CCCC[C@H]2CC[NH3+])c(F)cc1Br ZINC000582845050 564864068 /nfs/dbraw/zinc/86/40/68/564864068.db2.gz BSPANMKVQMNXEH-NSHDSACASA-N 1 0 379.295 2.789 20 0 GFADRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+]CC(=O)Nc2ccccc2Cl)cc1 ZINC000557480019 564864482 /nfs/dbraw/zinc/86/44/82/564864482.db2.gz UAQVBJAOEGPVPX-LBPRGKRZSA-N 1 0 381.885 2.537 20 0 GFADRO NC(=O)[C@@H](NC[C@@H]1CC[N@@H+]1C1CCCC1)c1ccc(Br)cc1F ZINC000530135680 564865369 /nfs/dbraw/zinc/86/53/69/564865369.db2.gz REXITFRPWZYIND-BBRMVZONSA-N 1 0 384.293 2.721 20 0 GFADRO CN(CCCN1CC[NH+](C)CC1)C(=O)NCCc1cccc(Cl)c1Cl ZINC000497377588 564866353 /nfs/dbraw/zinc/86/63/53/564866353.db2.gz XHNOIAFGGPZATL-UHFFFAOYSA-N 1 0 387.355 2.815 20 0 GFADRO O[C@H](C[NH2+]C1CCN(Cc2cccc(Br)c2)CC1)C(F)(F)F ZINC000582900941 564867402 /nfs/dbraw/zinc/86/74/02/564867402.db2.gz WFGYWFZUIBEYKN-CQSZACIVSA-N 1 0 381.236 2.926 20 0 GFADRO COCC[N@H+](C)CCCNC(=O)Nc1cc(C)c(Br)cc1F ZINC000497452508 564868507 /nfs/dbraw/zinc/86/85/07/564868507.db2.gz VXOYDFYDFMCARV-UHFFFAOYSA-N 1 0 376.270 2.986 20 0 GFADRO COC(=O)CC1([NH2+]Cc2nc3ccc(Br)cc3o2)CCOCC1 ZINC000463115696 564869857 /nfs/dbraw/zinc/86/98/57/564869857.db2.gz ZJJJZFYJDDHJHF-UHFFFAOYSA-N 1 0 383.242 2.792 20 0 GFADRO Cc1csc(N2CCC([NH2+]Cc3cccc(NS(C)(=O)=O)c3)CC2)n1 ZINC000463135781 564870678 /nfs/dbraw/zinc/87/06/78/564870678.db2.gz FOFDDPJWRQASCA-UHFFFAOYSA-N 1 0 380.539 2.582 20 0 GFADRO Cc1nn(C)c(C)c1CC[NH2+]Cc1cn(-c2ccccc2Br)nn1 ZINC000582994166 564871072 /nfs/dbraw/zinc/87/10/72/564871072.db2.gz NQZIDLIHUXPLJJ-UHFFFAOYSA-N 1 0 389.301 2.712 20 0 GFADRO Cc1nn(C)c(C[NH2+]C[C@]2(CO)C[C@@H]2c2ccc(F)cc2)c1Br ZINC000583123662 564876525 /nfs/dbraw/zinc/87/65/25/564876525.db2.gz SBCANDCXBUCZNC-PBHICJAKSA-N 1 0 382.277 2.886 20 0 GFADRO CSC[C@H](O)C[NH2+][C@@H](C)c1ccc(Br)cc1OCCCO ZINC000463359345 564876614 /nfs/dbraw/zinc/87/66/14/564876614.db2.gz HIDPQPJSVIXLEM-WCQYABFASA-N 1 0 378.332 2.585 20 0 GFADRO O=C(NCC[C@H]1CCC[NH2+]1)Nc1cc(Br)ccc1N1CCOCC1 ZINC000583131938 564877219 /nfs/dbraw/zinc/87/72/19/564877219.db2.gz MYZDKTRNPXPHAH-CQSZACIVSA-N 1 0 397.317 2.549 20 0 GFADRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)NCCCn1cc(Br)cn1 ZINC000497839050 564877555 /nfs/dbraw/zinc/87/75/55/564877555.db2.gz FRJJGBQNDZZYRH-HNNXBMFYSA-N 1 0 386.338 2.599 20 0 GFADRO CC[NH2+]CCCNC(=O)C(=O)N[C@H](c1ccc(Br)cc1)C1CCC1 ZINC000583133425 564877724 /nfs/dbraw/zinc/87/77/24/564877724.db2.gz YJAPUHRPHYYNPF-INIZCTEOSA-N 1 0 396.329 2.522 20 0 GFADRO Cc1cc(N2CCC[C@H]([N@@H+]3CCC[C@@H](CO)C3)C2=O)ccc1Br ZINC000463477708 564882162 /nfs/dbraw/zinc/88/21/62/564882162.db2.gz JMSDHCPRUPGKRY-PBHICJAKSA-N 1 0 381.314 2.957 20 0 GFADRO Cc1ccc(O[C@@H](C)C(=O)Nc2ccnn2CC[NH+](C)C)c(Br)c1 ZINC000557904925 564884754 /nfs/dbraw/zinc/88/47/54/564884754.db2.gz FBCLIJXBAOQDCA-ZDUSSCGKSA-N 1 0 395.301 2.922 20 0 GFADRO CC[N@@H+]1CCC[C@H](CNC(=O)c2csc(I)c2)C1 ZINC000498052912 564886906 /nfs/dbraw/zinc/88/69/06/564886906.db2.gz BSXIDQDKIQTKRW-SNVBAGLBSA-N 1 0 378.279 2.814 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)N1CC[N@H+](C[C@H](C)O)C[C@H]1C ZINC000498128333 564890230 /nfs/dbraw/zinc/89/02/30/564890230.db2.gz APMMGXWGLBFULY-OLZOCXBDSA-N 1 0 384.318 2.930 20 0 GFADRO [NH3+][C@@H](CC(F)F)C(=O)NC1(c2ccc(Br)cc2)CCOCC1 ZINC000498198362 564890895 /nfs/dbraw/zinc/89/08/95/564890895.db2.gz OBBBGKIISREMOS-LBPRGKRZSA-N 1 0 377.229 2.554 20 0 GFADRO CCOC(=O)[C@H](Cc1cc(Cl)cc(Cl)c1)NC(=O)[C@@H]([NH3+])CC(F)F ZINC000498202269 564892077 /nfs/dbraw/zinc/89/20/77/564892077.db2.gz SWUWFIDUYZGADY-RYUDHWBXSA-N 1 0 383.222 2.566 20 0 GFADRO C[C@@H]1C[N@H+](C)CCN1c1ccc(Br)cc1NC(=O)c1ccnn1C ZINC000583484040 564894058 /nfs/dbraw/zinc/89/40/58/564894058.db2.gz DMXCENUKBFRNOL-GFCCVEGCSA-N 1 0 392.301 2.575 20 0 GFADRO CC[NH+](CC)CC[C@@H](CO)NC(=O)C(C)(C)c1ccccc1Br ZINC000583509045 564895890 /nfs/dbraw/zinc/89/58/90/564895890.db2.gz BKXVSPIUPHCEBO-AWEZNQCLSA-N 1 0 385.346 2.936 20 0 GFADRO C[C@@H]([NH2+][C@@H]1CCCN(S(=O)(=O)N(C)C)C1)C1CCC(C(F)(F)F)CC1 ZINC000558259855 564897196 /nfs/dbraw/zinc/89/71/96/564897196.db2.gz YARGELMKDJLMRL-XSCHDIRWSA-N 1 0 385.496 2.604 20 0 GFADRO O=C(c1cc(Br)c2c(c1)OCCO2)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000498527851 564901030 /nfs/dbraw/zinc/90/10/30/564901030.db2.gz LBRLLFIPMQKHCN-AWEZNQCLSA-N 1 0 395.297 2.921 20 0 GFADRO C[N@H+](Cc1cc(Br)cc(Br)c1)CC(C)(CO)CO ZINC000583660613 564901285 /nfs/dbraw/zinc/90/12/85/564901285.db2.gz GCYBIZPQLXHTBP-UHFFFAOYSA-N 1 0 381.108 2.634 20 0 GFADRO CC[N@@H+]1C[C@H](C)N(C(=O)[C@H](C)NC(=O)c2ccc(Br)cc2)C[C@H]1C ZINC000498552562 564901842 /nfs/dbraw/zinc/90/18/42/564901842.db2.gz AESYQUWRNCNCCZ-RDBSUJKOSA-N 1 0 396.329 2.509 20 0 GFADRO CSC1(CNC(=O)C(=O)Nc2csc3ccccc23)CC[NH+](C)CC1 ZINC000558537327 564905111 /nfs/dbraw/zinc/90/51/11/564905111.db2.gz JLFVETYGNCGCSY-UHFFFAOYSA-N 1 0 377.535 2.783 20 0 GFADRO C[NH2+]C[C@@H](C)CNC(=O)c1c(C)nn(-c2ccc(Br)cc2)c1C ZINC000583754070 564905891 /nfs/dbraw/zinc/90/58/91/564905891.db2.gz ZHZXQLWUEPBNMW-LLVKDONJSA-N 1 0 379.302 2.837 20 0 GFADRO CO[C@@H](C[NH2+]CCS(=O)(=O)c1cccc(Br)c1)CC(C)C ZINC000583748363 564906165 /nfs/dbraw/zinc/90/61/65/564906165.db2.gz ZNSWDJVNLSWJMT-CQSZACIVSA-N 1 0 378.332 2.874 20 0 GFADRO C[N@@H+]1CCC[C@@H](CNC(=O)N[C@@H]2COc3cc(F)c(Br)cc32)C1 ZINC000558580444 564906944 /nfs/dbraw/zinc/90/69/44/564906944.db2.gz IOMJXNXZNBBAAG-IINYFYTJSA-N 1 0 386.265 2.663 20 0 GFADRO CC(C)[N@H+](C)C[C@H](C)NC(=O)c1cccc(F)c1I ZINC000558581543 564907278 /nfs/dbraw/zinc/90/72/78/564907278.db2.gz BUQLJJKPOBWWEI-JTQLQIEISA-N 1 0 378.229 2.889 20 0 GFADRO C[C@H](O)CC(C)(C)C[NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000583929503 564913674 /nfs/dbraw/zinc/91/36/74/564913674.db2.gz NOCMMCQKYBCFKR-SMDDNHRTSA-N 1 0 378.282 2.715 20 0 GFADRO C[C@H](CNC(=O)c1cc(F)c(F)cc1I)[NH+]1CCCC1 ZINC000531620456 564916285 /nfs/dbraw/zinc/91/62/85/564916285.db2.gz JPNXAKVKHPMFQC-SECBINFHSA-N 1 0 394.203 2.784 20 0 GFADRO C[C@H](CNC(=O)c1cc(Br)cnc1N(C)C)C[NH+]1CCCCC1 ZINC000499091870 564918468 /nfs/dbraw/zinc/91/84/68/564918468.db2.gz DSTKIMHWVPLEME-CYBMUJFWSA-N 1 0 383.334 2.762 20 0 GFADRO C[C@H](c1ccccc1)[C@H](O)C[NH2+]C[C@@H](O)COc1ccccc1Br ZINC000584053192 564919026 /nfs/dbraw/zinc/91/90/26/564919026.db2.gz BMZLDNTXUFNFMK-QGPMSJSTSA-N 1 0 394.309 2.943 20 0 GFADRO CC[NH+](CC)CC[C@@H](CO)NC(=O)C1(c2cccc(Br)c2)CC1 ZINC000559249085 564927425 /nfs/dbraw/zinc/92/74/25/564927425.db2.gz SCQHENDDEDKUCN-INIZCTEOSA-N 1 0 383.330 2.690 20 0 GFADRO C[C@@](CO)([NH2+]C[C@H](O)Cc1ccc(F)cc1)c1ccc(Br)cc1 ZINC000559242953 564927838 /nfs/dbraw/zinc/92/78/38/564927838.db2.gz FXQGMEURJVUXHR-MSOLQXFVSA-N 1 0 382.273 2.989 20 0 GFADRO Cc1ccc(OC[C@@H](O)C[NH2+][C@@H](CO)c2ccc(Br)c(F)c2)cc1 ZINC000559269619 564928662 /nfs/dbraw/zinc/92/86/62/564928662.db2.gz KEJYQLYGLNSTTC-KSSFIOAISA-N 1 0 398.272 2.960 20 0 GFADRO CC[NH+](CC)CCNC(=O)C(=O)NCC(C)(C)c1ccc(Cl)c(Cl)c1 ZINC000559363915 564931507 /nfs/dbraw/zinc/93/15/07/564931507.db2.gz KWRDCLUGTCJWBK-UHFFFAOYSA-N 1 0 388.339 2.845 20 0 GFADRO O[C@@H](CN1CCOCC1)C[N@@H+]1CCCC[C@@H]1Cc1ccccc1Br ZINC000559479847 564933514 /nfs/dbraw/zinc/93/35/14/564933514.db2.gz UVABZQNAFVPSIC-MSOLQXFVSA-N 1 0 397.357 2.539 20 0 GFADRO O[C@@H](CN1CCOCC1)C[N@@H+]1CCCC[C@H]1Cc1ccccc1Br ZINC000559479853 564933795 /nfs/dbraw/zinc/93/37/95/564933795.db2.gz UVABZQNAFVPSIC-ROUUACIJSA-N 1 0 397.357 2.539 20 0 GFADRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1ccc(-n2cc(Br)cn2)cc1 ZINC000532331812 564934860 /nfs/dbraw/zinc/93/48/60/564934860.db2.gz RCDINVIVNMQNIZ-PXAZEXFGSA-N 1 0 389.297 2.847 20 0 GFADRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)Cc1cscc1Br ZINC000559581811 564936020 /nfs/dbraw/zinc/93/60/20/564936020.db2.gz KPGVDIACZMBKPG-ZDUSSCGKSA-N 1 0 375.332 2.622 20 0 GFADRO COc1ccc(Br)c(CNC(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)c1 ZINC000466199367 564936294 /nfs/dbraw/zinc/93/62/94/564936294.db2.gz IEGFBWQNZGIGCQ-MEDUHNTESA-N 1 0 382.302 2.740 20 0 GFADRO O=C(NCc1c(Cl)cccc1Cl)C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000559802653 564940623 /nfs/dbraw/zinc/94/06/23/564940623.db2.gz UYRTYZZISUJIIV-ZDUSSCGKSA-N 1 0 384.307 2.743 20 0 GFADRO CC[C@@H](Cn1cncn1)[NH2+][C@H]1CCN(c2ccc(Br)c(C)c2)C1=O ZINC000559900988 564941568 /nfs/dbraw/zinc/94/15/68/564941568.db2.gz AAAJYUWUZZDOFQ-BBRMVZONSA-N 1 0 392.301 2.523 20 0 GFADRO C[C@H](CNC(=O)c1cc(Br)cnc1N(C)C)[NH+]1CCC(C)CC1 ZINC000500001015 564942364 /nfs/dbraw/zinc/94/23/64/564942364.db2.gz AUYIQTLYBKYOMC-CYBMUJFWSA-N 1 0 383.334 2.760 20 0 GFADRO C[NH+](C)[C@@H]1CCCN(S(=O)(=O)c2cccc(Br)c2Cl)C1 ZINC000560028383 564945317 /nfs/dbraw/zinc/94/53/17/564945317.db2.gz MFVNBMFTLQBOCI-SNVBAGLBSA-N 1 0 381.723 2.817 20 0 GFADRO CC(=O)N1CCC([NH2+][C@H](C)CC(=O)Nc2ccc(Br)cc2)CC1 ZINC000500116529 564946357 /nfs/dbraw/zinc/94/63/57/564946357.db2.gz CEDPUAOTMMLEDQ-GFCCVEGCSA-N 1 0 382.302 2.767 20 0 GFADRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N1CCN(Cc2ccc(Cl)s2)CC1 ZINC000466763189 564947065 /nfs/dbraw/zinc/94/70/65/564947065.db2.gz JMNKZZWOVUMRQD-XJKSGUPXSA-N 1 0 382.961 2.711 20 0 GFADRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N1CCN(Cc2ccc(Cl)s2)CC1 ZINC000466763187 564947213 /nfs/dbraw/zinc/94/72/13/564947213.db2.gz JMNKZZWOVUMRQD-CJNGLKHVSA-N 1 0 382.961 2.711 20 0 GFADRO CC[C@@H](C(=O)Nc1cnc(N2CCOCC2)c(Br)c1)[NH+](CC)CC ZINC000466886555 564949160 /nfs/dbraw/zinc/94/91/60/564949160.db2.gz ZOMQCEVHTLIEDL-HNNXBMFYSA-N 1 0 399.333 2.740 20 0 GFADRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N1CCc2ccc(Br)cc2C1 ZINC000560105197 564950171 /nfs/dbraw/zinc/95/01/71/564950171.db2.gz KXQKXKOUVNHUFA-SJKOYZFVSA-N 1 0 378.314 3.000 20 0 GFADRO C[C@@H]1CN(CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)C[C@@H](C)S1 ZINC000532969569 564950787 /nfs/dbraw/zinc/95/07/87/564950787.db2.gz GAIAOGDEMMJMTI-HZPDHXFCSA-N 1 0 379.595 3.000 20 0 GFADRO OC[C@H]([NH2+]Cc1ccc(I)cc1Cl)[C@@H]1CCCO1 ZINC000500372153 564951444 /nfs/dbraw/zinc/95/14/44/564951444.db2.gz UMAWEMHCPRPUAD-STQMWFEESA-N 1 0 381.641 2.574 20 0 GFADRO C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000467019819 564952425 /nfs/dbraw/zinc/95/24/25/564952425.db2.gz DEQXAFQVWLVEPD-ZIBATOQPSA-N 1 0 384.307 2.711 20 0 GFADRO CS(=O)(=O)NC[C@@H]1CCC[C@H]1[NH2+]Cc1cc(Br)ccc1Cl ZINC000500464487 564954072 /nfs/dbraw/zinc/95/40/72/564954072.db2.gz SPMSZAPHNCYYST-IINYFYTJSA-N 1 0 395.750 2.910 20 0 GFADRO CS(=O)(=O)NC[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(Br)c(Cl)c1 ZINC000500499810 564956490 /nfs/dbraw/zinc/95/64/90/564956490.db2.gz FOKHSOONKVHBIV-RISCZKNCSA-N 1 0 395.750 2.910 20 0 GFADRO CN(Cc1cc(Br)cs1)C(=O)C[N@H+](C)CC[C@@H]1CCCO1 ZINC000467132763 564957033 /nfs/dbraw/zinc/95/70/33/564957033.db2.gz ZRTMPXXHHAVXNE-ZDUSSCGKSA-N 1 0 375.332 2.970 20 0 GFADRO NS(=O)(=O)c1cccc(NC(=O)CC[N@@H+]2CCC[C@@H]2c2cccs2)c1 ZINC000533223088 564958920 /nfs/dbraw/zinc/95/89/20/564958920.db2.gz CLCWJYOKXDUYPY-OAHLLOKOSA-N 1 0 379.507 2.561 20 0 GFADRO COC[C@@H]1CC[N@H+](CC(=O)Nc2ccc(I)cc2C)C1 ZINC000533289806 564959797 /nfs/dbraw/zinc/95/97/97/564959797.db2.gz CWZCKQSUVHOYIT-GFCCVEGCSA-N 1 0 388.249 2.506 20 0 GFADRO O=C(CC[N@@H+]1CC[C@H](CN2CCOCC2)C1)Nc1c(Cl)cccc1Cl ZINC000533291652 564960645 /nfs/dbraw/zinc/96/06/45/564960645.db2.gz TYHSCFLUEXXKNR-AWEZNQCLSA-N 1 0 386.323 2.976 20 0 GFADRO CC1(C)[C@H]([NH2+]CCCNS(=O)(=O)c2ccccc2Cl)[C@@H]2CCCO[C@H]21 ZINC000467408701 564962738 /nfs/dbraw/zinc/96/27/38/564962738.db2.gz YHXGKYTUDBIDRP-IAOVAPTHSA-N 1 0 386.945 2.802 20 0 GFADRO Cc1nc2sccn2c(=O)c1CC[N@@H+]1CCC[C@@H](OCC(F)(F)F)C1 ZINC000560464095 564963137 /nfs/dbraw/zinc/96/31/37/564963137.db2.gz QPZXMLPXPXSXLW-GFCCVEGCSA-N 1 0 375.416 2.650 20 0 GFADRO C[NH+]1CCN(Cc2ccc(NC(=O)CSCc3cscn3)cc2)CC1 ZINC000533469685 564963187 /nfs/dbraw/zinc/96/31/87/564963187.db2.gz ZRVWWWGRLVOTHV-UHFFFAOYSA-N 1 0 376.551 2.762 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)Cc2cc(=O)n3cc(Br)ccc3n2)[C@H](C)C1 ZINC000533531172 564965151 /nfs/dbraw/zinc/96/51/51/564965151.db2.gz QZCPVAGAQVIQIS-CJNGLKHVSA-N 1 0 393.329 2.619 20 0 GFADRO COc1ccc(C(=O)N2CC[C@@H](OCC[NH+]3CCCC3)C2)c(Br)c1 ZINC000533562849 564966017 /nfs/dbraw/zinc/96/60/17/564966017.db2.gz XPEBZGCIQKAJKR-OAHLLOKOSA-N 1 0 397.313 2.785 20 0 GFADRO CCS(=O)(=O)c1cccc(C[NH2+][C@H](C)c2ccc(S(C)(=O)=O)cc2)c1 ZINC000500985137 564966887 /nfs/dbraw/zinc/96/68/87/564966887.db2.gz XOPZANZVCWUDLR-CQSZACIVSA-N 1 0 381.519 2.735 20 0 GFADRO O=S(=O)(C1CC1)N1CCC[C@@H]([NH2+][C@@H]2CCc3c2cccc3Br)C1 ZINC000560570231 564968397 /nfs/dbraw/zinc/96/83/97/564968397.db2.gz DHIMNWOCOYODLC-SJKOYZFVSA-N 1 0 399.354 2.983 20 0 GFADRO O=C(COc1ccsc1Cl)NC[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1 ZINC000560614487 564969788 /nfs/dbraw/zinc/96/97/88/564969788.db2.gz GCDLJSAJQXPBRT-GJZGRUSLSA-N 1 0 380.897 2.532 20 0 GFADRO CN1CCO[C@H]([C@@H](NC[C@@]2([NH+](C)C)CCSC2)c2ccc(Cl)cc2)C1 ZINC000467750644 564971219 /nfs/dbraw/zinc/97/12/19/564971219.db2.gz AMJJHGUPXCCURE-FHWLQOOXSA-N 1 0 383.989 2.739 20 0 GFADRO CC[N@H+](CCNC(=O)c1cn(-c2ccc(Br)cc2)cn1)C1CC1 ZINC000533716203 564971983 /nfs/dbraw/zinc/97/19/83/564971983.db2.gz GIOAJUZEAYELMK-UHFFFAOYSA-N 1 0 377.286 2.849 20 0 GFADRO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)c2cc(F)ccc2Br)CC1 ZINC000501137185 564972290 /nfs/dbraw/zinc/97/22/90/564972290.db2.gz CSHDDIMSKWNHLI-HNNXBMFYSA-N 1 0 398.320 2.830 20 0 GFADRO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)Cc2ccc(Br)cc2)CC1 ZINC000501144992 564972471 /nfs/dbraw/zinc/97/24/71/564972471.db2.gz XSDGHAHRCGVPSH-GOSISDBHSA-N 1 0 394.357 2.620 20 0 GFADRO Cc1nc([C@H]2CCN(CC(=O)Nc3ccc(Br)cc3C)C2)n[nH]1 ZINC000560718105 564973179 /nfs/dbraw/zinc/97/31/79/564973179.db2.gz ISFBCJCTAIWSMC-LBPRGKRZSA-N 1 0 378.274 2.612 20 0 GFADRO CCCC[N@H+](C)CCNC(=O)C(=O)N(C)Cc1ccc(Br)cc1C ZINC000560892045 564979390 /nfs/dbraw/zinc/97/93/90/564979390.db2.gz SPEYOHVKQRCSDZ-UHFFFAOYSA-N 1 0 398.345 2.564 20 0 GFADRO CS[C@@H]1CN(C(=O)[C@@H](C)Oc2ccccc2C(F)(F)F)C[C@H]1[NH+](C)C ZINC000534093591 564979693 /nfs/dbraw/zinc/97/96/93/564979693.db2.gz WQYWXZGFFOMDCY-UXIGCNINSA-N 1 0 376.444 2.977 20 0 GFADRO CC(C)c1cc(Br)ccc1NC(=O)C(=O)N[C@@H](C)CC[NH+](C)C ZINC000534099457 564979721 /nfs/dbraw/zinc/97/97/21/564979721.db2.gz NRCLVGOHNZBNEF-LBPRGKRZSA-N 1 0 384.318 2.967 20 0 GFADRO COC[C@](C)(CCO)[NH2+]Cc1ccc(I)cc1Cl ZINC000501467484 564980328 /nfs/dbraw/zinc/98/03/28/564980328.db2.gz OWMWYDZSQXJXSW-ZDUSSCGKSA-N 1 0 383.657 2.822 20 0 GFADRO CC(C)[NH+]1CCC(C(=O)N(C)CC(=O)Nc2ccccc2Br)CC1 ZINC000468228401 564980875 /nfs/dbraw/zinc/98/08/75/564980875.db2.gz GMWGQJKCZOKXAD-UHFFFAOYSA-N 1 0 396.329 2.966 20 0 GFADRO CC[N@H+](CC(=O)N(C)[C@H](C(=O)OC)c1cccc(Br)c1)C1CC1 ZINC000501641094 564984328 /nfs/dbraw/zinc/98/43/28/564984328.db2.gz AJAGAWUJSWOQSY-INIZCTEOSA-N 1 0 383.286 2.606 20 0 GFADRO CC[NH+]1CCC(NS(=O)(=O)c2cc(Cl)ccc2O[C@@H](C)COC)CC1 ZINC000468550257 564985821 /nfs/dbraw/zinc/98/58/21/564985821.db2.gz YAUWMTFXLVFRMG-ZDUSSCGKSA-N 1 0 390.933 2.516 20 0 GFADRO CC[N@@H+]1CCN(C(=O)[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)[C@@H](C)C1 ZINC000561157009 564986536 /nfs/dbraw/zinc/98/65/36/564986536.db2.gz GVHGZQCMNIOOLQ-GXTWGEPZSA-N 1 0 384.307 2.899 20 0 GFADRO C[C@@H](C[NH2+]Cc1cn(-c2cccc(Cl)c2Cl)nn1)CN1CCOCC1 ZINC000534352381 564987154 /nfs/dbraw/zinc/98/71/54/564987154.db2.gz KZKGNSRNACGHCT-ZDUSSCGKSA-N 1 0 384.311 2.632 20 0 GFADRO COc1cc(Br)ccc1[C@H](C)NC(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000561203382 564987700 /nfs/dbraw/zinc/98/77/00/564987700.db2.gz XBIMRNWNOVCUAP-AVGNSLFASA-N 1 0 382.302 2.770 20 0 GFADRO Cc1csc(C(=O)NC[C@H](C2CC2)[NH+](C)C)c1I ZINC000468645827 564989414 /nfs/dbraw/zinc/98/94/14/564989414.db2.gz SPSTXNWKWJFXGS-SNVBAGLBSA-N 1 0 378.279 2.731 20 0 GFADRO C[NH+]1CCN(c2cccc(C(=O)NCc3cc(Br)cs3)n2)CC1 ZINC000502023154 564990171 /nfs/dbraw/zinc/99/01/71/564990171.db2.gz JWWFXFULGNZVNX-UHFFFAOYSA-N 1 0 395.326 2.587 20 0 GFADRO COc1ccc(Br)cc1C(=O)CCC(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000502118889 564992413 /nfs/dbraw/zinc/99/24/13/564992413.db2.gz AWZJCFIVTTUPEW-ZDUSSCGKSA-N 1 0 383.286 2.631 20 0 GFADRO COC(=O)c1sc2nc(C)nc(N3C[C@H](SC)[C@@H]([NH+](C)C)C3)c2c1C ZINC000502142818 564992483 /nfs/dbraw/zinc/99/24/83/564992483.db2.gz NHBUEISOVGZRNM-RYUDHWBXSA-N 1 0 380.539 2.577 20 0 GFADRO Cc1ccc(Br)cc1C(=O)N[C@@H](CC(C)C)C(=O)NCC[NH+](C)C ZINC000534784712 564996453 /nfs/dbraw/zinc/99/64/53/564996453.db2.gz GONHKEBORXUBCV-INIZCTEOSA-N 1 0 398.345 2.580 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)C1CC[NH+](C)CC1 ZINC000468931167 564999348 /nfs/dbraw/zinc/99/93/48/564999348.db2.gz KFHMDIWVQBYKTA-UHFFFAOYSA-N 1 0 382.302 2.544 20 0 GFADRO C[NH+](C)CCN(Cc1ccccc1F)C(=O)c1cc[nH]c(=O)c1Br ZINC000469005548 565002288 /nfs/dbraw/zinc/00/22/88/565002288.db2.gz PRAXLJNBTUOMOD-UHFFFAOYSA-N 1 0 396.260 2.893 20 0 GFADRO C[C@@H](C[NH+](C)C)NS(=O)(=O)c1cc(Br)c(Cl)cc1Cl ZINC000561564411 565002739 /nfs/dbraw/zinc/00/27/39/565002739.db2.gz AMFYSXHCWBCUOW-ZETCQYMHSA-N 1 0 390.130 2.984 20 0 GFADRO C[C@H]1CC[N@H+](C)CCN1C(=O)N[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000502769137 565004457 /nfs/dbraw/zinc/00/44/57/565004457.db2.gz XNKSPLMJJYQGQE-GOEBONIOSA-N 1 0 395.345 2.763 20 0 GFADRO CN(CC[N@H+](C)C1CCCCC1)S(=O)(=O)c1ccc(C(F)(F)F)nc1 ZINC000561639627 565005182 /nfs/dbraw/zinc/00/51/82/565005182.db2.gz GBMAFKJUQWAFFI-UHFFFAOYSA-N 1 0 379.448 2.985 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)c1cc[nH]c(=O)c1Br)c1ccc(F)cc1 ZINC000469102564 565005319 /nfs/dbraw/zinc/00/53/19/565005319.db2.gz XCHOJOOTRQONEK-ZDUSSCGKSA-N 1 0 382.233 2.722 20 0 GFADRO Cc1c(Br)ccc(C(=O)N2CCN(Cc3ncc[nH]3)CC2)c1F ZINC000469145844 565006852 /nfs/dbraw/zinc/00/68/52/565006852.db2.gz TXZDXNKDEGVAGN-UHFFFAOYSA-N 1 0 381.249 2.578 20 0 GFADRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+]CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000502853934 565007480 /nfs/dbraw/zinc/00/74/80/565007480.db2.gz BOQVUEHXHAFAOX-ZWNOBZJWSA-N 1 0 377.794 2.802 20 0 GFADRO Cc1ccc(C[NH2+]CCS(=O)(=O)NCc2ccccc2)cc1Br ZINC000502998899 565010351 /nfs/dbraw/zinc/01/03/51/565010351.db2.gz UHCTVVIDLPYHFH-UHFFFAOYSA-N 1 0 397.338 2.967 20 0 GFADRO Cc1c(Br)ccc(C(=O)Nc2ccc(=O)n(CC[NH+](C)C)c2)c1F ZINC000469269236 565011857 /nfs/dbraw/zinc/01/18/57/565011857.db2.gz PQIHJHUGYZAZPG-UHFFFAOYSA-N 1 0 396.260 2.872 20 0 GFADRO CS[C@H]1CN(S(=O)(=O)Cc2ccccc2C(F)(F)F)C[C@H]1[NH+](C)C ZINC000503231621 565015424 /nfs/dbraw/zinc/01/54/24/565015424.db2.gz LCQAPCSVOIWQMH-KGLIPLIRSA-N 1 0 382.473 2.513 20 0 GFADRO Cc1ccc(Br)c(NC(=O)C(=O)NC[C@H]2CC[N@@H+](C(C)C)C2)c1 ZINC000535626269 565016876 /nfs/dbraw/zinc/01/68/76/565016876.db2.gz IZTXIDMWDIVFED-CYBMUJFWSA-N 1 0 382.302 2.543 20 0 GFADRO CN(C)CC[N@H+](C)CCCN(C)C(=O)c1cc2cc(Br)ccc2[nH]1 ZINC000562224020 565020375 /nfs/dbraw/zinc/02/03/75/565020375.db2.gz SNNJUVRKNHYFIL-UHFFFAOYSA-N 1 0 395.345 2.886 20 0 GFADRO CNS(=O)(=O)NC1CC[NH+](Cc2ccc(-c3ccc(Cl)cc3)o2)CC1 ZINC000562211274 565020424 /nfs/dbraw/zinc/02/04/24/565020424.db2.gz JJYDFGHYNGDTFE-UHFFFAOYSA-N 1 0 383.901 2.618 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)c2cc[nH]c(=O)c2Br)C[N@@H+]1Cc1ccccc1 ZINC000469581135 565021600 /nfs/dbraw/zinc/02/16/00/565021600.db2.gz SIMSATRGUIEPKK-TZMCWYRMSA-N 1 0 390.281 2.943 20 0 GFADRO Cc1cc(Br)ccc1OCC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000535874264 565022829 /nfs/dbraw/zinc/02/28/29/565022829.db2.gz BYOCOVSPOPBDDL-INIZCTEOSA-N 1 0 399.329 2.609 20 0 GFADRO COC(=O)[C@H](c1cccc(Cl)c1Cl)N1CCC[N@@H+]([C@H](C)CO)CC1 ZINC000469826405 565028402 /nfs/dbraw/zinc/02/84/02/565028402.db2.gz FKCRIRGKCITRBE-WBMJQRKESA-N 1 0 375.296 2.596 20 0 GFADRO NC(=O)[C@@H]1CCCN1CCC[NH2+][C@H]1CCCc2ccc(Br)cc21 ZINC000536175085 565031069 /nfs/dbraw/zinc/03/10/69/565031069.db2.gz CACZAAUYOUVGFE-IRXDYDNUSA-N 1 0 380.330 2.756 20 0 GFADRO COCC[C@H](C)[NH+]1CCN(C(=O)COc2ccc(Cl)cc2Cl)CC1 ZINC000470000788 565034765 /nfs/dbraw/zinc/03/47/65/565034765.db2.gz STHOXEMPRHEISK-ZDUSSCGKSA-N 1 0 375.296 2.941 20 0 GFADRO CC(C)(C)[C@H]1CN(Cc2cc(=O)n3cc(Br)ccc3n2)CCO1 ZINC000562611722 565035393 /nfs/dbraw/zinc/03/53/93/565035393.db2.gz GWYAELQCORGERG-CQSZACIVSA-N 1 0 380.286 2.704 20 0 GFADRO C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N1CCC[N@@H+]([C@@H](C)CO)CC1 ZINC000470063714 565036516 /nfs/dbraw/zinc/03/65/16/565036516.db2.gz AAJLUVHPSRQNPT-STQMWFEESA-N 1 0 375.296 2.676 20 0 GFADRO C[C@@H](Oc1cccc(Br)c1)C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000470067113 565037218 /nfs/dbraw/zinc/03/72/18/565037218.db2.gz QPUJAXRTAYNNCE-HUUCEWRRSA-N 1 0 399.329 2.834 20 0 GFADRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)CCNC(=O)Nc1ccc(Br)cc1 ZINC000536606329 565042636 /nfs/dbraw/zinc/04/26/36/565042636.db2.gz IXBFVDHGRMPIKM-CHWSQXEVSA-N 1 0 397.317 2.512 20 0 GFADRO CC(=O)N[C@H](CC(=O)N1CC[N@@H+](C)[C@@H](C)[C@@H]1C)c1ccc(Br)cc1 ZINC000536601303 565042829 /nfs/dbraw/zinc/04/28/29/565042829.db2.gz FKJWPJKYTUAANA-GDZNZVCISA-N 1 0 396.329 2.567 20 0 GFADRO CO[C@]1(C[NH2+]Cc2cc(Br)cc(Br)c2N)CCOC1 ZINC000470336029 565043088 /nfs/dbraw/zinc/04/30/88/565043088.db2.gz HIDNUDHOYKTNPF-ZDUSSCGKSA-N 1 0 394.107 2.689 20 0 GFADRO O=C(c1cn2ccc(Br)cc2n1)N1CC[NH+](C2CCCC2)CC1 ZINC000504830129 565045257 /nfs/dbraw/zinc/04/52/57/565045257.db2.gz DYNVHOUFFAIBCQ-UHFFFAOYSA-N 1 0 377.286 2.797 20 0 GFADRO C[NH+](C)CCOCCNC(=O)Nc1ccc(OCC(F)(F)F)c(Cl)c1 ZINC000504964599 565047391 /nfs/dbraw/zinc/04/73/91/565047391.db2.gz ANQZFZAZHJCPHI-UHFFFAOYSA-N 1 0 383.798 2.981 20 0 GFADRO Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)[NH2+]C[C@H]1CS(=O)(=O)CCO1 ZINC000536853365 565048312 /nfs/dbraw/zinc/04/83/12/565048312.db2.gz PPTKWRGQYBRSPF-NHYWBVRUSA-N 1 0 384.498 2.722 20 0 GFADRO O=C(NCCC[C@@H]1CCC[NH2+]1)c1c(F)cccc1I ZINC000562978043 565050359 /nfs/dbraw/zinc/05/03/59/565050359.db2.gz SRAPJGPKXXNYFL-JTQLQIEISA-N 1 0 376.213 2.692 20 0 GFADRO C[C@@H]1C[C@H](C)N(C(=O)c2c(F)cccc2I)C[C@@H]1C[NH3+] ZINC000562980786 565050637 /nfs/dbraw/zinc/05/06/37/565050637.db2.gz LMHNGDVPOMFJGA-VWYCJHECSA-N 1 0 390.240 2.876 20 0 GFADRO O[C@@H](C[NH2+]CCc1cn2c(n1)CCCC2)COc1cccc(Br)c1 ZINC000562987303 565050818 /nfs/dbraw/zinc/05/08/18/565050818.db2.gz GCRJZUNWMXRRKA-INIZCTEOSA-N 1 0 394.313 2.554 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)C(=O)N1CCC([NH2+]C(C)C)CC1 ZINC000536984318 565051191 /nfs/dbraw/zinc/05/11/91/565051191.db2.gz VMPVTJCPDAPYNX-UHFFFAOYSA-N 1 0 396.329 2.939 20 0 GFADRO CN(CC[NH2+]C[C@H](O)COc1cc(Cl)ccc1Cl)CC(F)(F)F ZINC000562994739 565051505 /nfs/dbraw/zinc/05/15/05/565051505.db2.gz ZESGNAKWAGVKFF-NSHDSACASA-N 1 0 375.218 2.817 20 0 GFADRO CC[C@H](Cc1ccccc1Br)NC(=O)CN1CC[NH+](CC)CC1 ZINC000470749179 565054997 /nfs/dbraw/zinc/05/49/97/565054997.db2.gz KOOYYPRRYLCKNG-MRXNPFEDSA-N 1 0 382.346 2.524 20 0 GFADRO CCC[NH2+][C@@H](C)C(=O)NCc1ccc(I)c(Cl)c1 ZINC000563096417 565055545 /nfs/dbraw/zinc/05/55/45/565055545.db2.gz FPYPBUDCZBFSMA-VIFPVBQESA-N 1 0 380.657 2.949 20 0 GFADRO COc1ccc(Br)c2[nH]c(C(=O)NCC3=CC[N@H+](C)CC3)cc21 ZINC000537240439 565055670 /nfs/dbraw/zinc/05/56/70/565055670.db2.gz AZBJQFSOFUWKRJ-UHFFFAOYSA-N 1 0 378.270 2.931 20 0 GFADRO Brc1cccc(C2([NH2+]CCN3C[C@H]4CC[C@@H](C3)O4)CCOCC2)c1 ZINC000537247470 565055794 /nfs/dbraw/zinc/05/57/94/565055794.db2.gz DMLNDRJHENOEHQ-HDICACEKSA-N 1 0 395.341 2.908 20 0 GFADRO Brc1ccc(C2([NH2+]CCN3C[C@H]4CC[C@@H](C3)O4)CCOCC2)cc1 ZINC000537252449 565055854 /nfs/dbraw/zinc/05/58/54/565055854.db2.gz FFSSEZYHEYZSIL-HDICACEKSA-N 1 0 395.341 2.908 20 0 GFADRO COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)N1C[C@@H]([NH+](C)C)[C@@H](SC)C1 ZINC000537276556 565056303 /nfs/dbraw/zinc/05/63/03/565056303.db2.gz UVPVEMDMILMPGF-MJEQTWJJSA-N 1 0 385.961 2.961 20 0 GFADRO O=S(=O)(c1ccc(Br)cc1F)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000563130190 565056835 /nfs/dbraw/zinc/05/68/35/565056835.db2.gz UXAFAGABNUEINK-NWDGAFQWSA-N 1 0 391.306 2.598 20 0 GFADRO COc1ccc(I)c(NC(=O)N[C@H](C)C[C@H](C)[NH3+])c1 ZINC000563134378 565057011 /nfs/dbraw/zinc/05/70/11/565057011.db2.gz ZSIVRSIMHFSIQR-DTWKUNHWSA-N 1 0 377.226 2.547 20 0 GFADRO O=S(=O)(c1ccc(Br)cc1F)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000563130187 565057068 /nfs/dbraw/zinc/05/70/68/565057068.db2.gz UXAFAGABNUEINK-NEPJUHHUSA-N 1 0 391.306 2.598 20 0 GFADRO C[C@H]1CCN(S(=O)(=O)N(CC[NH+]2CCCC2)Cc2ccc(Cl)cc2)C1 ZINC000537558707 565059630 /nfs/dbraw/zinc/05/96/30/565059630.db2.gz LZWWAZCQMUWMSC-INIZCTEOSA-N 1 0 385.961 2.824 20 0 GFADRO O=C(NCC[NH2+][C@H]1CCCc2ccc(Br)cc21)c1cnccn1 ZINC000537768178 565062481 /nfs/dbraw/zinc/06/24/81/565062481.db2.gz TVMYNTCLBFNLDB-HNNXBMFYSA-N 1 0 375.270 2.636 20 0 GFADRO C[C@H](CNc1cc(-n2cccn2)nc(N)[nH+]1)Oc1ccc(Br)cc1 ZINC000537878351 565064378 /nfs/dbraw/zinc/06/43/78/565064378.db2.gz JRISXKBTPFFHMR-LLVKDONJSA-N 1 0 389.257 2.886 20 0 GFADRO CC(C)(CNC(=O)C(=O)N1CCC[C@H](C[NH3+])C1)c1c(Cl)cccc1Cl ZINC000584341310 565076647 /nfs/dbraw/zinc/07/66/47/565076647.db2.gz FIBSZUQMXKYTBH-GFCCVEGCSA-N 1 0 386.323 2.585 20 0 GFADRO C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)COc2ccc(Cl)cc2Br)CCO1 ZINC000584345885 565076914 /nfs/dbraw/zinc/07/69/14/565076914.db2.gz GTDPOEDXPSPGSB-KGYLQXTDSA-N 1 0 378.694 2.999 20 0 GFADRO COCCOCC[N@H+](C)CCC(=O)Nc1cc(C)c(Br)cc1F ZINC000635930332 565081730 /nfs/dbraw/zinc/08/17/30/565081730.db2.gz CKFQCXLIQRBLHW-UHFFFAOYSA-N 1 0 391.281 2.820 20 0 GFADRO O=C(CC[NH2+][C@@H]1CC(=O)N2CCCC[C@H]12)Nc1cccc(Br)c1 ZINC000584465386 565081968 /nfs/dbraw/zinc/08/19/68/565081968.db2.gz GCSNGRBGQVNRRR-HUUCEWRRSA-N 1 0 380.286 2.521 20 0 GFADRO C[C@@H](NC(=O)C[C@H]1CC[N@H+](C)C1)c1ccc(Br)cc1OCCCO ZINC000635949724 565083234 /nfs/dbraw/zinc/08/32/34/565083234.db2.gz BBUSSYLCXVKDJC-ZIAGYGMSSA-N 1 0 399.329 2.729 20 0 GFADRO CCN(CCC[NH+](C)C)C(=O)[C@@H]1CCO[C@H]1c1cncc(Br)c1 ZINC000613860839 565084310 /nfs/dbraw/zinc/08/43/10/565084310.db2.gz HLCBKQVYMHZCPM-CVEARBPZSA-N 1 0 384.318 2.722 20 0 GFADRO CCc1ccc(-c2csc(NC(=O)C(=O)NC[C@@H](C)C[NH+](C)C)n2)s1 ZINC000584534298 565087208 /nfs/dbraw/zinc/08/72/08/565087208.db2.gz KAMZFNYBLPXRIS-LLVKDONJSA-N 1 0 380.539 2.686 20 0 GFADRO C[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2CCO[C@H]2c2cncc(Br)c2)CC1 ZINC000614011454 565090666 /nfs/dbraw/zinc/09/06/66/565090666.db2.gz PWIRRHLHBKJRFO-BBWFWOEESA-N 1 0 396.329 2.864 20 0 GFADRO Cc1cc(CC[NH2+][C@@H]2CCS(=O)(=O)c3ccc(Br)cc32)on1 ZINC000584710832 565093437 /nfs/dbraw/zinc/09/34/37/565093437.db2.gz KDQGZRULDSNSBZ-CQSZACIVSA-N 1 0 385.283 2.796 20 0 GFADRO CCc1nnc(SCC(=O)Nc2ccc(CN3CCOCC3)cc2)s1 ZINC000657271871 565094177 /nfs/dbraw/zinc/09/41/77/565094177.db2.gz YQVXZNXFPQWTAB-UHFFFAOYSA-N 1 0 378.523 2.664 20 0 GFADRO O[C@H](COc1ccc(Cl)c(Cl)c1)CN1CCN(CC(F)(F)F)CC1 ZINC000685013757 565094360 /nfs/dbraw/zinc/09/43/60/565094360.db2.gz CRNNVCZHPWUDPE-NSHDSACASA-N 1 0 387.229 2.913 20 0 GFADRO C[NH+](C)C[C@@]1(O)CCCN(C(=O)c2cnc(-c3ccccc3Cl)s2)C1 ZINC000614069460 565094399 /nfs/dbraw/zinc/09/43/99/565094399.db2.gz XPHNUDKKKOUHNW-SFHVURJKSA-N 1 0 379.913 2.992 20 0 GFADRO O=C1NCCC[C@H]1C[NH2+]Cc1cc(Br)cc(Br)c1 ZINC000657276793 565096088 /nfs/dbraw/zinc/09/60/88/565096088.db2.gz UYTSBMFEMYUMSI-JTQLQIEISA-N 1 0 376.092 2.827 20 0 GFADRO O=C(Cc1ccc(I)cc1)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000584777731 565097222 /nfs/dbraw/zinc/09/72/22/565097222.db2.gz TUMKZHWGTCLCPA-MRXNPFEDSA-N 1 0 398.288 2.824 20 0 GFADRO Cn1ncc(C2CCC2)c1C[NH2+]C[C@@H](O)COc1ccccc1Br ZINC000657400843 565099114 /nfs/dbraw/zinc/09/91/14/565099114.db2.gz XHYWWFMXMBAADD-CQSZACIVSA-N 1 0 394.313 2.980 20 0 GFADRO CC[C@H]1C[C@H]([NH2+]CCCNC(=O)c2cc(OC)ccc2Br)CO1 ZINC000657357462 565100517 /nfs/dbraw/zinc/10/05/17/565100517.db2.gz CXMXTRZWCPLWAL-STQMWFEESA-N 1 0 385.302 2.735 20 0 GFADRO CCS(=O)(=O)N1CCC([C@H](C)[N@H+](C)Cc2ccc(Br)o2)CC1 ZINC000685475309 565107853 /nfs/dbraw/zinc/10/78/53/565107853.db2.gz GUESAVBJPNHKNZ-LBPRGKRZSA-N 1 0 393.347 2.924 20 0 GFADRO CCc1ccc(C)[nH+]c1NCc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000657577988 565110205 /nfs/dbraw/zinc/11/02/05/565110205.db2.gz IFFGWSXNPRXFPC-UHFFFAOYSA-N 1 0 384.299 2.974 20 0 GFADRO C[N@H+](C[C@@H](O)CN1CCc2[nH]c3c(cccc3Br)c2C1)C1CC1 ZINC000685568047 565111975 /nfs/dbraw/zinc/11/19/75/565111975.db2.gz YUBIYJXRXCBXQS-CYBMUJFWSA-N 1 0 378.314 2.744 20 0 GFADRO O=C(CCn1cc(Br)cn1)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000614525890 565118160 /nfs/dbraw/zinc/11/81/60/565118160.db2.gz RQLWYAIASVYPGR-QGZVFWFLSA-N 1 0 391.313 2.989 20 0 GFADRO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)C1(c2cccc(Br)c2)CC(=O)C1 ZINC000685722467 565119679 /nfs/dbraw/zinc/11/96/79/565119679.db2.gz FJMSUFGELFNGJV-MRXNPFEDSA-N 1 0 391.309 2.650 20 0 GFADRO C[NH+](C)CCCNS(=O)(=O)c1ccc(Br)cc1C(F)(F)F ZINC000614598238 565122561 /nfs/dbraw/zinc/12/25/61/565122561.db2.gz PXMLTYAWDBVOED-UHFFFAOYSA-N 1 0 389.237 2.698 20 0 GFADRO CCOc1ccc(Br)cc1S(=O)(=O)NCC[N@H+](CC)C1CC1 ZINC000588005207 565124068 /nfs/dbraw/zinc/12/40/68/565124068.db2.gz JUIYWJPGTSTUJI-UHFFFAOYSA-N 1 0 391.331 2.610 20 0 GFADRO C[NH+](C)CC[C@@H](NC(=O)c1cc2ncc(Br)cn2n1)C(C)(C)C ZINC000636869974 565128680 /nfs/dbraw/zinc/12/86/80/565128680.db2.gz HBOAJMQVYYJKOG-CYBMUJFWSA-N 1 0 382.306 2.588 20 0 GFADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+]C[C@H]1CCOC1(C)C ZINC000657784917 565129835 /nfs/dbraw/zinc/12/98/35/565129835.db2.gz ALEMRWMWOOFRLY-TZMCWYRMSA-N 1 0 399.329 2.867 20 0 GFADRO CC[N@H+](CCNC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1)C(C)C ZINC000588304428 565132451 /nfs/dbraw/zinc/13/24/51/565132451.db2.gz SZPXFDOJDPQMJP-UHFFFAOYSA-N 1 0 388.343 2.950 20 0 GFADRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1cc(Br)cc2c1OCCO2 ZINC000614834190 565134430 /nfs/dbraw/zinc/13/44/30/565134430.db2.gz IGEXUELGQCAGPM-SWLSCSKDSA-N 1 0 395.297 2.919 20 0 GFADRO CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)Nc2cccc(Br)c2F)C1 ZINC000657881795 565134416 /nfs/dbraw/zinc/13/44/16/565134416.db2.gz VSLJPNXBNAQQCW-LLVKDONJSA-N 1 0 386.265 2.516 20 0 GFADRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1cc(Br)cc2c1OCCO2 ZINC000614834192 565134497 /nfs/dbraw/zinc/13/44/97/565134497.db2.gz IGEXUELGQCAGPM-WFASDCNBSA-N 1 0 395.297 2.919 20 0 GFADRO O=C(c1cc2ncc(Br)cn2n1)N1CC[NH+](C2CCCCC2)CC1 ZINC000637022577 565134733 /nfs/dbraw/zinc/13/47/33/565134733.db2.gz HUIDVVICEYELSM-UHFFFAOYSA-N 1 0 392.301 2.582 20 0 GFADRO C[C@@H](NC(=O)NCc1c(Br)cnn1C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000637033809 565134921 /nfs/dbraw/zinc/13/49/21/565134921.db2.gz MHUGJOVKQMLAKL-CHWSQXEVSA-N 1 0 398.349 2.635 20 0 GFADRO COc1ccc(Br)c(C(=O)NCCC[NH2+][C@H]2COC3(CCC3)C2)c1 ZINC000657875724 565135225 /nfs/dbraw/zinc/13/52/25/565135225.db2.gz HZDQPHXDHBVKCA-CYBMUJFWSA-N 1 0 397.313 2.879 20 0 GFADRO Cc1c(F)c(Br)ccc1NC(=O)C(=O)N[C@@H](C)C1=CC[N@H+](C)CC1 ZINC000657876345 565135256 /nfs/dbraw/zinc/13/52/56/565135256.db2.gz XCEPAMGIPSNEIA-NSHDSACASA-N 1 0 398.276 2.602 20 0 GFADRO C[C@@H](C[NH+](C)C)NC(=O)Cc1ccc(Br)c(Br)c1 ZINC000614838030 565135345 /nfs/dbraw/zinc/13/53/45/565135345.db2.gz AMQZTUDQZNBTNZ-VIFPVBQESA-N 1 0 378.108 2.820 20 0 GFADRO Cc1cc(N2CCC[C@@H]([NH2+][C@H](C)Cn3cncn3)C2=O)ccc1Br ZINC000657977199 565141540 /nfs/dbraw/zinc/14/15/40/565141540.db2.gz WVCBOKYCCAECFQ-CZUORRHYSA-N 1 0 392.301 2.523 20 0 GFADRO CSc1ccc([C@H](CNC(=O)N[C@@H](C)[C@H](O)C(F)(F)F)[NH+](C)C)cc1 ZINC000637175409 565143671 /nfs/dbraw/zinc/14/36/71/565143671.db2.gz FPBAQEFWJJQCID-BPNCWPANSA-N 1 0 379.448 2.622 20 0 GFADRO C[NH+](C)C[C@H](NC(=O)NC[C@]1(C)CCC(=O)N1)c1ccc(Cl)c(Cl)c1 ZINC000637205133 565144189 /nfs/dbraw/zinc/14/41/89/565144189.db2.gz ALISYBKETPCPEA-YOEHRIQHSA-N 1 0 387.311 2.564 20 0 GFADRO C[NH+](C)CC(C)(C)CN(C(=O)c1cccnn1)c1ccc(Br)cn1 ZINC000637211514 565144938 /nfs/dbraw/zinc/14/49/38/565144938.db2.gz NCCGTGXEFJQQBC-UHFFFAOYSA-N 1 0 392.301 2.869 20 0 GFADRO C[C@H](CNC(=O)CCCCc1ccc(Br)cc1)N1CC[NH+](C)CC1 ZINC000588935361 565145030 /nfs/dbraw/zinc/14/50/30/565145030.db2.gz GAKCQNLOYANVPI-MRXNPFEDSA-N 1 0 396.373 2.914 20 0 GFADRO CC(C)[C@@H](Cc1ccc(Br)cc1)[NH2+]CCCn1cc(CO)nn1 ZINC000658017517 565146154 /nfs/dbraw/zinc/14/61/54/565146154.db2.gz VCSJCMGLJMCDNY-QGZVFWFLSA-N 1 0 381.318 2.780 20 0 GFADRO Cc1c(Br)cccc1NC(=O)C(=O)NC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000589005343 565146374 /nfs/dbraw/zinc/14/63/74/565146374.db2.gz OKLNLUUGUMZXJY-CYBMUJFWSA-N 1 0 382.302 2.543 20 0 GFADRO Cc1c(Br)cccc1NC(=O)C(=O)NCC[N@H+]1CCCC[C@H]1C ZINC000588989368 565146638 /nfs/dbraw/zinc/14/66/38/565146638.db2.gz LYXRXHJWMJRGFW-GFCCVEGCSA-N 1 0 382.302 2.687 20 0 GFADRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)N2CC(Cc3ccccc3Br)C2)C1 ZINC000637256290 565147660 /nfs/dbraw/zinc/14/76/60/565147660.db2.gz UFYOBFSOAJIIRJ-AKAXFMLLSA-N 1 0 380.330 2.973 20 0 GFADRO CO[C@H](C[NH2+][C@@H](C)CC(=O)Nc1cccc(Br)c1)[C@@H]1CCOC1 ZINC000658079262 565148848 /nfs/dbraw/zinc/14/88/48/565148848.db2.gz VHTVISNYXOYXFD-WOSRLPQWSA-N 1 0 385.302 2.807 20 0 GFADRO CC[C@H]([NH2+]CCNC(=O)c1ccc(Br)cn1)c1ccc(F)cn1 ZINC000658091631 565148902 /nfs/dbraw/zinc/14/89/02/565148902.db2.gz GUMKKYSMOIRJIH-ZDUSSCGKSA-N 1 0 381.249 2.849 20 0 GFADRO O=C(NCC[NH2+][C@@H](c1cncc(F)c1)C1CC1)c1ccc(Br)cn1 ZINC000658096441 565150725 /nfs/dbraw/zinc/15/07/25/565150725.db2.gz POVWKABECKALKN-MRXNPFEDSA-N 1 0 393.260 2.849 20 0 GFADRO CC(C)n1ccc(C[C@H](C)[NH2+]CCNC(=O)c2ccc(Br)cn2)n1 ZINC000658092722 565150864 /nfs/dbraw/zinc/15/08/64/565150864.db2.gz QDYPZFLPVXRSLQ-ZDUSSCGKSA-N 1 0 394.317 2.572 20 0 GFADRO C[C@@H]([NH2+]C[C@H](OC1CCCC1)C(F)(F)F)c1ccc(S(N)(=O)=O)cc1 ZINC000658125432 565151582 /nfs/dbraw/zinc/15/15/82/565151582.db2.gz SZQZEKSKUKDGRI-ABAIWWIYSA-N 1 0 380.432 2.875 20 0 GFADRO O=S1(=O)CCC[C@H]([NH2+][C@H]2CSCc3ccc(Br)cc32)C1 ZINC000658186852 565154739 /nfs/dbraw/zinc/15/47/39/565154739.db2.gz CULYPVGZUQCVFT-JSGCOSHPSA-N 1 0 376.341 2.904 20 0 GFADRO COc1cc(C[N@H+](C)C[C@@H](O)C2CC2)cc(I)c1OC ZINC000589197979 565155012 /nfs/dbraw/zinc/15/50/12/565155012.db2.gz HJPHEKJQUYBKQA-CYBMUJFWSA-N 1 0 391.249 2.511 20 0 GFADRO C[C@H](C(=O)N1CCOC[C@@H]1[C@H]1CCC[N@@H+]1C)c1cccc(Br)c1 ZINC000615268672 565155323 /nfs/dbraw/zinc/15/53/23/565155323.db2.gz WYRUXOOUSAURQZ-IAOVAPTHSA-N 1 0 381.314 2.874 20 0 GFADRO CN1CC[NH+](CC2CN(C(=O)C3(c4c(Cl)cccc4Cl)CC3)C2)CC1 ZINC000615273913 565155399 /nfs/dbraw/zinc/15/53/99/565155399.db2.gz ZDLCZGLBZJNFBT-UHFFFAOYSA-N 1 0 382.335 2.731 20 0 GFADRO COc1ccc(Br)c(CNC(=O)N2CC[C@H]([NH+]3CCCC3)C2)c1 ZINC000589212895 565156049 /nfs/dbraw/zinc/15/60/49/565156049.db2.gz MEWBVWKWLJGBPG-AWEZNQCLSA-N 1 0 382.302 2.837 20 0 GFADRO C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)C1(c2cccc(Br)c2)CC(=O)C1 ZINC000615306189 565156420 /nfs/dbraw/zinc/15/64/20/565156420.db2.gz ZUULVZRYIDROTG-LRDDRELGSA-N 1 0 379.298 2.601 20 0 GFADRO C[NH+](C)C[C@@H]1CCN(C(=O)NCc2cc(F)c(Br)cc2F)C1 ZINC000637425866 565156448 /nfs/dbraw/zinc/15/64/48/565156448.db2.gz WATUNMJHNJEJMX-JTQLQIEISA-N 1 0 376.245 2.820 20 0 GFADRO CCn1c(SCC(=O)N2CC[C@@H]([NH+](C)C)[C@@H]2C)nnc1-c1cccs1 ZINC000615309920 565157466 /nfs/dbraw/zinc/15/74/66/565157466.db2.gz BPYWRMAOIXVXQG-QWHCGFSZSA-N 1 0 379.555 2.670 20 0 GFADRO C[NH+](C)C[C@@H](NC(=O)N1CC[C@H](CC(N)=O)C1)c1ccc(Cl)c(Cl)c1 ZINC000637475738 565158713 /nfs/dbraw/zinc/15/87/13/565158713.db2.gz WNAKPFVLQCFAIS-IAQYHMDHSA-N 1 0 387.311 2.503 20 0 GFADRO CN(C[C@H]1COCCO1)C(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000637472670 565158927 /nfs/dbraw/zinc/15/89/27/565158927.db2.gz GXPCZAIHCBNORO-BBRMVZONSA-N 1 0 390.311 2.653 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CCCCN1S(=O)(=O)Cc1cc(F)ccc1Br ZINC000658364139 565161098 /nfs/dbraw/zinc/16/10/98/565161098.db2.gz APWHGWAHBUICNQ-QMTHXVAHSA-N 1 0 379.295 2.620 20 0 GFADRO CCN(C(=O)C(=O)Nc1cc(C(F)(F)F)ccc1Cl)[C@@H]1CC[N@H+](C)C1 ZINC000658356506 565161211 /nfs/dbraw/zinc/16/12/11/565161211.db2.gz OOCDJNLDTUEKNO-LLVKDONJSA-N 1 0 377.794 2.850 20 0 GFADRO C[C@H]1CN(C(=O)c2cc(Br)cc3[nH]c(=O)[nH]c32)CC[N@@H+](C2CC2)C1 ZINC000615447462 565161183 /nfs/dbraw/zinc/16/11/83/565161183.db2.gz KQIGHNFYSAEWED-SNVBAGLBSA-N 1 0 393.285 2.587 20 0 GFADRO C[C@H]1CN(C(=O)c2cc(Br)cc3c2OCCO3)CC[N@@H+](C2CC2)C1 ZINC000615452634 565161230 /nfs/dbraw/zinc/16/12/30/565161230.db2.gz ZEGMMWRHJITDNF-GFCCVEGCSA-N 1 0 395.297 2.777 20 0 GFADRO CCN(C(=O)C(=O)Nc1cc(C(F)(F)F)ccc1Cl)[C@H]1CC[N@H+](C)C1 ZINC000658356514 565161919 /nfs/dbraw/zinc/16/19/19/565161919.db2.gz OOCDJNLDTUEKNO-NSHDSACASA-N 1 0 377.794 2.850 20 0 GFADRO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCCN2S(=O)(=O)Cc2cc(F)ccc2Cl)C1 ZINC000658384194 565165997 /nfs/dbraw/zinc/16/59/97/565165997.db2.gz VIBFYOLGCTUGKX-DJIMGWMZSA-N 1 0 390.908 2.670 20 0 GFADRO C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C1(c3cncc(Br)c3)CC1)C2 ZINC000615600564 565168191 /nfs/dbraw/zinc/16/81/91/565168191.db2.gz CVKKGCPVLMFIQF-KRWDZBQOSA-N 1 0 378.314 2.820 20 0 GFADRO O=S(=O)(N[C@H]1CC[NH2+]C2(CCC2)C1)c1cc(Cl)ccc1OC(F)F ZINC000658402986 565168312 /nfs/dbraw/zinc/16/83/12/565168312.db2.gz WSNQRBYSSXBQBA-NSHDSACASA-N 1 0 380.844 2.894 20 0 GFADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)c1cc(Br)cc(C(=O)OC)c1 ZINC000589702066 565170123 /nfs/dbraw/zinc/17/01/23/565170123.db2.gz BFBITSUIKAKVPY-HNNXBMFYSA-N 1 0 383.286 2.840 20 0 GFADRO CCN(C(=O)C(=O)Nc1c(C)cc(Br)cc1C)[C@@H]1CC[N@H+](CC)C1 ZINC000658465983 565171197 /nfs/dbraw/zinc/17/11/97/565171197.db2.gz ZUZTYUPEXTXPHE-OAHLLOKOSA-N 1 0 396.329 2.947 20 0 GFADRO C[C@@H](NC(=O)N1CCC[N@H+](C)CC1)c1cc2c(cc1Br)OCCO2 ZINC000615751795 565172908 /nfs/dbraw/zinc/17/29/08/565172908.db2.gz RYWQIYXVIZVKMB-GFCCVEGCSA-N 1 0 398.301 2.628 20 0 GFADRO C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(I)cc3Cl)[C@@H]2C1 ZINC000590044670 565176352 /nfs/dbraw/zinc/17/63/52/565176352.db2.gz LQELQPIJCWSATE-TVQRCGJNSA-N 1 0 390.652 2.721 20 0 GFADRO [NH3+]C[C@]1(C(=O)NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)CCCOC1 ZINC000637929193 565176868 /nfs/dbraw/zinc/17/68/68/565176868.db2.gz VYWCCQQZZRYZBI-GIPNMCIBSA-N 1 0 376.341 2.768 20 0 GFADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](C)Oc1ccc(Cl)c(Cl)c1 ZINC000590116942 565178891 /nfs/dbraw/zinc/17/88/91/565178891.db2.gz HGVPOAXEJBGYCR-QWHCGFSZSA-N 1 0 375.296 2.988 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NCc2ccc(Cl)c(Cl)c2)C[C@H]1C ZINC000658617843 565179033 /nfs/dbraw/zinc/17/90/33/565179033.db2.gz NNHXJACUYXKRPE-TZMCWYRMSA-N 1 0 386.323 2.941 20 0 GFADRO C[C@@H]([NH2+]CC(=O)NC(=O)NCc1ccco1)c1ccc(F)c(Br)c1 ZINC000590193301 565180214 /nfs/dbraw/zinc/18/02/14/565180214.db2.gz LGPQOENQIIEITR-SNVBAGLBSA-N 1 0 398.232 2.858 20 0 GFADRO COc1cc(Br)c(CNC(=O)c2oc(C[NH3+])cc2C)cc1OC ZINC000637980150 565180546 /nfs/dbraw/zinc/18/05/46/565180546.db2.gz WVVPDHSZZAKZOB-UHFFFAOYSA-N 1 0 383.242 2.756 20 0 GFADRO Cc1cc(C[NH3+])oc1C(=O)Nc1cc(Br)ccc1N1CCOCC1 ZINC000638057878 565183034 /nfs/dbraw/zinc/18/30/34/565183034.db2.gz PJRVGEQAMLINPR-UHFFFAOYSA-N 1 0 394.269 2.898 20 0 GFADRO C[C@H]1CCCC[N@@H+]1CCC1CCN(Cc2ccc(S(N)(=O)=O)s2)CC1 ZINC000638151318 565186369 /nfs/dbraw/zinc/18/63/69/565186369.db2.gz CFRDFDQAITWHTC-HNNXBMFYSA-N 1 0 385.599 2.872 20 0 GFADRO NS(=O)(=O)c1ccc(C[N@H+](CCCO)[C@H]2CCCc3ccccc32)s1 ZINC000638128432 565186635 /nfs/dbraw/zinc/18/66/35/565186635.db2.gz SZHHTFQSKWNDBX-KRWDZBQOSA-N 1 0 380.535 2.658 20 0 GFADRO CCN(C(=O)C(=O)NCCCc1c(Cl)cccc1Cl)[C@H]1CC[N@H+](C)C1 ZINC000658803256 565188253 /nfs/dbraw/zinc/18/82/53/565188253.db2.gz OZFHKSXGVXHFSE-ZDUSSCGKSA-N 1 0 386.323 2.595 20 0 GFADRO CCN(C(=O)C(=O)N(C)Cc1c(Cl)cccc1Cl)[C@H]1CC[N@H+](CC)C1 ZINC000658828228 565189570 /nfs/dbraw/zinc/18/95/70/565189570.db2.gz BRGQHWBLOOIDNY-ZDUSSCGKSA-N 1 0 386.323 2.895 20 0 GFADRO [NH3+]C[C@@]1(C(=O)N2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)CCCOC1 ZINC000638293282 565189827 /nfs/dbraw/zinc/18/98/27/565189827.db2.gz LYXIGFOSZQUKMO-ABAIWWIYSA-N 1 0 377.432 2.623 20 0 GFADRO C[C@H]1CCCN(C(=O)c2ccc3cncc(Br)c3n2)[C@H]1CC[NH3+] ZINC000638391274 565194714 /nfs/dbraw/zinc/19/47/14/565194714.db2.gz WICPJQPYOIUQHO-NHYWBVRUSA-N 1 0 377.286 2.982 20 0 GFADRO [NH3+]C[C@@H]1CCCN(C(=O)Cc2ccc(Br)c(Br)c2)C1 ZINC000658927552 565194938 /nfs/dbraw/zinc/19/49/38/565194938.db2.gz FANTYPFVGHLBQU-NSHDSACASA-N 1 0 390.119 2.951 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+]C[C@@H]2CCCCN2Cc2ccccc2)s1 ZINC000638448495 565197028 /nfs/dbraw/zinc/19/70/28/565197028.db2.gz DJWKCDQDULFBQZ-INIZCTEOSA-N 1 0 379.551 2.540 20 0 GFADRO Cc1c(C(=O)N2CC[C@@H](C)[C@@H]([NH3+])C2)cnn1-c1cccc(Br)c1 ZINC000658972659 565197212 /nfs/dbraw/zinc/19/72/12/565197212.db2.gz KUGWMJZKABOARE-BZNIZROVSA-N 1 0 377.286 2.753 20 0 GFADRO C[C@H](C[C@H]1CCCC(=O)N1)[NH2+]CCCNC(=O)c1ccc(Br)cc1 ZINC000638489427 565197997 /nfs/dbraw/zinc/19/79/97/565197997.db2.gz NBZHHZLWQFMMFY-CZUORRHYSA-N 1 0 396.329 2.606 20 0 GFADRO Brc1cnc2c(C[NH2+]Cc3ccc4c(c3)OCCCO4)cnn2c1 ZINC000638508995 565198918 /nfs/dbraw/zinc/19/89/18/565198918.db2.gz SONZJLDYJZOCDY-UHFFFAOYSA-N 1 0 389.253 2.943 20 0 GFADRO Cc1c(C(=O)N[C@H]2CC[NH2+]C23CCC3)cnn1-c1ccc(Br)cc1 ZINC000638502318 565199517 /nfs/dbraw/zinc/19/95/17/565199517.db2.gz YVCAUPDIIXCCLE-INIZCTEOSA-N 1 0 389.297 2.958 20 0 GFADRO [NH3+][C@@H]1CN(C(=O)Nc2ccnn2Cc2ccccc2Br)CC[C@H]1F ZINC000659010052 565199499 /nfs/dbraw/zinc/19/94/99/565199499.db2.gz PPKCPJAVTAHQRL-ZIAGYGMSSA-N 1 0 396.264 2.597 20 0 GFADRO COc1cc(C[NH2+]Cc2ccc(N(C)S(C)(=O)=O)cc2)c(Cl)cc1O ZINC000638524672 565200165 /nfs/dbraw/zinc/20/01/65/565200165.db2.gz RIOMWMVNKVVFIG-UHFFFAOYSA-N 1 0 384.885 2.740 20 0 GFADRO O=C(CNC(=O)c1sc2ccccc2c1Cl)N[C@H]1CC[NH2+]C12CCC2 ZINC000638510359 565200172 /nfs/dbraw/zinc/20/01/72/565200172.db2.gz WQVGPMBIVWJWLM-ZDUSSCGKSA-N 1 0 377.897 2.685 20 0 GFADRO COc1ccc(Br)c(C(=O)NCCC[NH2+]C[C@@](C)(OC)C2CC2)c1 ZINC000638525349 565200198 /nfs/dbraw/zinc/20/01/98/565200198.db2.gz VSRFJBSSGFMZKE-GOSISDBHSA-N 1 0 399.329 2.982 20 0 GFADRO COc1ccc(Br)c(C(=O)NCCC[NH2+]C[C@](C)(OC)C2CC2)c1 ZINC000638525350 565200404 /nfs/dbraw/zinc/20/04/04/565200404.db2.gz VSRFJBSSGFMZKE-SFHVURJKSA-N 1 0 399.329 2.982 20 0 GFADRO Cc1cc(Br)c(Cl)cc1NC(=O)C(=O)N[C@H](C[NH3+])CC(C)C ZINC000659076874 565200542 /nfs/dbraw/zinc/20/05/42/565200542.db2.gz HHCSGPHJTVBDHA-JTQLQIEISA-N 1 0 390.709 2.839 20 0 GFADRO COc1cc(Br)ccc1[C@H]1CCCN1C(=O)C[NH2+]C[C@H]1CCCO1 ZINC000638532215 565200712 /nfs/dbraw/zinc/20/07/12/565200712.db2.gz KBJRQROQIMKRPK-GDBMZVCRSA-N 1 0 397.313 2.890 20 0 GFADRO Cc1cc(Br)c(Cl)cc1NC(=O)C(=O)N1C[C@H](C)[NH2+]C[C@H]1C ZINC000659082413 565200771 /nfs/dbraw/zinc/20/07/71/565200771.db2.gz OCCLYIFOZMWLJZ-VHSXEESVSA-N 1 0 388.693 2.558 20 0 GFADRO Cc1nc(CSc2ccc(C(=O)NCC3([NH3+])CCOCC3)cc2)cs1 ZINC000638539338 565201569 /nfs/dbraw/zinc/20/15/69/565201569.db2.gz NWIANXSJHYBQNJ-UHFFFAOYSA-N 1 0 377.535 2.982 20 0 GFADRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C1(c2ccc(Br)cc2)CCOCC1 ZINC000638571403 565202758 /nfs/dbraw/zinc/20/27/58/565202758.db2.gz PUKHBCKYNILMCI-JKSUJKDBSA-N 1 0 381.314 2.754 20 0 GFADRO CC[C@H]1C[N@H+](C)CCN1C(=O)Nc1ccc(Br)c(C(=O)OC)c1 ZINC000590825680 565206707 /nfs/dbraw/zinc/20/67/07/565206707.db2.gz GGDHHOKQYIKPGH-LBPRGKRZSA-N 1 0 384.274 2.794 20 0 GFADRO O=C(NCCSc1ccc(Cl)cc1)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000590846878 565207484 /nfs/dbraw/zinc/20/74/84/565207484.db2.gz RZNREDOUGXQQPA-SJORKVTESA-N 1 0 383.945 2.673 20 0 GFADRO CN1CC[C@H]([NH2+]Cc2nnnn2C2CC2)C[C@@H]1c1ccc(Br)cc1 ZINC000638711481 565208201 /nfs/dbraw/zinc/20/82/01/565208201.db2.gz ZTYDODOXYVUAQY-GOEBONIOSA-N 1 0 391.317 2.696 20 0 GFADRO CN1CCC[C@H]([NH2+][C@@H]2CCN(C)[C@H](c3ccc(Br)cc3)C2)C1=O ZINC000638724686 565208458 /nfs/dbraw/zinc/20/84/58/565208458.db2.gz SUZPDHYWFZBXFL-IKGGRYGDSA-N 1 0 380.330 2.795 20 0 GFADRO CN1CC[C@@H]([NH2+]Cc2nnnn2C2CC2)C[C@H]1c1ccc(Br)cc1 ZINC000638711484 565208530 /nfs/dbraw/zinc/20/85/30/565208530.db2.gz ZTYDODOXYVUAQY-ZBFHGGJFSA-N 1 0 391.317 2.696 20 0 GFADRO O=C1C[C@H]([NH2+][C@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)CCCN1 ZINC000638759119 565209020 /nfs/dbraw/zinc/20/90/20/565209020.db2.gz FVUOMSSJPOIDPU-NEPJUHHUSA-N 1 0 376.810 2.591 20 0 GFADRO CCn1cc(Br)cc1C(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000638779863 565210252 /nfs/dbraw/zinc/21/02/52/565210252.db2.gz WDJNJFOSNHCILR-HNNXBMFYSA-N 1 0 384.318 2.501 20 0 GFADRO O=C(c1cc([C@@H]2CC[NH2+]C2)n[nH]1)N1CCc2cc(F)cc(Br)c2C1 ZINC000638774215 565210664 /nfs/dbraw/zinc/21/06/64/565210664.db2.gz YBJBPDMRUVVIAQ-LLVKDONJSA-N 1 0 393.260 2.587 20 0 GFADRO Cc1c(Br)cccc1C(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000638777213 565210690 /nfs/dbraw/zinc/21/06/90/565210690.db2.gz FXYJWJYUCCEMEG-HNNXBMFYSA-N 1 0 381.314 2.988 20 0 GFADRO Cc1cccc(CC(=O)N2CCC(CO[C@@H]3CC[NH2+]C3)CC2)c1Br ZINC000638785574 565211592 /nfs/dbraw/zinc/21/15/92/565211592.db2.gz DCPNPNGYNRURSH-QGZVFWFLSA-N 1 0 395.341 2.917 20 0 GFADRO COc1ccccc1[C@@H]([NH3+])CNC(=O)c1sc2c(c1Br)CNC2 ZINC000659298749 565211810 /nfs/dbraw/zinc/21/18/10/565211810.db2.gz ALORCXNJHBXSNI-NSHDSACASA-N 1 0 396.310 2.552 20 0 GFADRO O=C(N[C@H]1CC12CC[NH2+]CC2)c1cc(Br)cc(N2CCCC2)c1 ZINC000659313755 565211956 /nfs/dbraw/zinc/21/19/56/565211956.db2.gz OKZZJADMLQPPFH-INIZCTEOSA-N 1 0 378.314 2.921 20 0 GFADRO C[C@H](C[NH2+][C@H]1CCN(C)[C@H](c2ccc(Br)cc2)C1)S(C)(=O)=O ZINC000638806407 565212199 /nfs/dbraw/zinc/21/21/99/565212199.db2.gz PWGHZMMNLHWSRV-KCXAZCMYSA-N 1 0 389.359 2.607 20 0 GFADRO COCC1(C(=O)N2CCc3cc(C)cc(Br)c3C2)CC[NH2+]CC1 ZINC000638825913 565213037 /nfs/dbraw/zinc/21/30/37/565213037.db2.gz XYTBJUUKWGHIAM-UHFFFAOYSA-N 1 0 381.314 2.658 20 0 GFADRO C[C@H](CC(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1)n1cc(Br)cn1 ZINC000659364634 565213971 /nfs/dbraw/zinc/21/39/71/565213971.db2.gz RFAPAAIXHRUIMY-WBMJQRKESA-N 1 0 393.285 2.896 20 0 GFADRO O=C([C@H]1C[NH2+]CCC1(F)F)N1CCOC[C@@H]1c1ccc(Br)cc1 ZINC000659358009 565214019 /nfs/dbraw/zinc/21/40/19/565214019.db2.gz FLWSGZKEQTWQML-ZIAGYGMSSA-N 1 0 389.240 2.594 20 0 GFADRO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)c2ncccc2Br)cc1 ZINC000659353482 565214487 /nfs/dbraw/zinc/21/44/87/565214487.db2.gz FUFHOVKRYUXBQZ-HOCLYGCPSA-N 1 0 390.281 2.728 20 0 GFADRO C[C@]1(C(=O)N2CC3(CCOCC3)c3ccc(Br)cc32)CC[NH2+]C1 ZINC000638841850 565214553 /nfs/dbraw/zinc/21/45/53/565214553.db2.gz GBTFWNIHYIABRK-KRWDZBQOSA-N 1 0 379.298 2.844 20 0 GFADRO O=C(C[NH2+]C1CC1)N1CCc2cc(Br)c(Br)cc2C1 ZINC000659381651 565216025 /nfs/dbraw/zinc/21/60/25/565216025.db2.gz JEHGUVHOOYRIIN-UHFFFAOYSA-N 1 0 388.103 2.848 20 0 GFADRO CC(C)c1nc(C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)nn1-c1c(Cl)cccc1Cl ZINC000638913782 565217730 /nfs/dbraw/zinc/21/77/30/565217730.db2.gz YUNMBCIXJRXFPG-QWRGUYRKSA-N 1 0 380.279 2.884 20 0 GFADRO C[C@@H](NC(=O)N(C)CC(C)(C)[NH3+])c1nc(-c2ccc(Br)cc2)no1 ZINC000659469006 565218242 /nfs/dbraw/zinc/21/82/42/565218242.db2.gz FQFGXOLHDPQEOS-SNVBAGLBSA-N 1 0 396.289 2.939 20 0 GFADRO CCCOC[C@@H](Cc1cccc(Br)c1)NC(=O)N[C@@H](C)C[NH2+]C ZINC000659482247 565218345 /nfs/dbraw/zinc/21/83/45/565218345.db2.gz LMEHJUTVWJKXDZ-XJKSGUPXSA-N 1 0 386.334 2.694 20 0 GFADRO [NH3+]CC12CC(C1)CN2C(=O)NCCc1c[nH]c2cccc(Br)c12 ZINC000659493827 565218676 /nfs/dbraw/zinc/21/86/76/565218676.db2.gz NWTFIQRMEYJJMX-UHFFFAOYSA-N 1 0 377.286 2.606 20 0 GFADRO COC(=O)c1c(Br)ccc(NC(=O)N[C@H]2CCC[N@H+](C)C2)c1C ZINC000617030008 565219234 /nfs/dbraw/zinc/21/92/34/565219234.db2.gz GWILULHSTGTYAW-NSHDSACASA-N 1 0 384.274 2.760 20 0 GFADRO O=C(c1cc(=O)[nH]c2c(Br)cccc12)N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000639021561 565220928 /nfs/dbraw/zinc/22/09/28/565220928.db2.gz HYQDQCCKJGPEJZ-ABAIWWIYSA-N 1 0 390.281 2.917 20 0 GFADRO O=C(NCC12CC(C1)C[NH2+]2)N1CC[C@H](Cc2ccc(Br)cc2)C1 ZINC000659614249 565221017 /nfs/dbraw/zinc/22/10/17/565221017.db2.gz ZDASIJNWEKQNNP-KSTDHSDQSA-N 1 0 378.314 2.775 20 0 GFADRO C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000639028245 565221020 /nfs/dbraw/zinc/22/10/20/565221020.db2.gz XQVKIOWJAFJFKS-YWPYICTPSA-N 1 0 384.307 2.712 20 0 GFADRO CC(C)[C@H]([NH3+])CCNC(=O)N1CCO[C@H](c2cccc(Br)c2)C1 ZINC000659625521 565221230 /nfs/dbraw/zinc/22/12/30/565221230.db2.gz VZEHSEAHKATNMQ-CVEARBPZSA-N 1 0 384.318 2.905 20 0 GFADRO CN1CC[C@@H]([NH2+]CCCn2ccnn2)C[C@H]1c1ccc(Br)cc1 ZINC000639039801 565221863 /nfs/dbraw/zinc/22/18/63/565221863.db2.gz WRJNSCQWQVGQHJ-SJORKVTESA-N 1 0 378.318 2.856 20 0 GFADRO Cc1cc(Br)oc1C(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000617113623 565221883 /nfs/dbraw/zinc/22/18/83/565221883.db2.gz OBLBDYLFKHSAQB-UHFFFAOYSA-N 1 0 385.302 2.971 20 0 GFADRO C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCSc3ccc(Cl)cc32)[C@H](C[NH3+])C1 ZINC000659690986 565222163 /nfs/dbraw/zinc/22/21/63/565222163.db2.gz LYZOSHKFPHHZRS-ZLDLUXBVSA-N 1 0 381.929 2.579 20 0 GFADRO CN(CC(C)(C)[NH3+])C(=O)C(=O)NCC1(c2c(Cl)cccc2Cl)CCC1 ZINC000659690242 565222790 /nfs/dbraw/zinc/22/27/90/565222790.db2.gz MSRHQMQYKBJEGG-UHFFFAOYSA-N 1 0 386.323 2.727 20 0 GFADRO CCn1ccc(C[N@H+](C)Cc2ccc(S(N)(=O)=O)c(Br)c2)c1 ZINC000639099909 565224416 /nfs/dbraw/zinc/22/44/16/565224416.db2.gz OJMGBNXXXBPRSP-UHFFFAOYSA-N 1 0 386.315 2.550 20 0 GFADRO COc1cc(Br)ccc1[C@H](C)[NH2+]Cc1ccc(S(N)(=O)=O)cc1 ZINC000639093800 565225128 /nfs/dbraw/zinc/22/51/28/565225128.db2.gz AQPSEOVCHKFESF-NSHDSACASA-N 1 0 399.310 2.956 20 0 GFADRO CC(C)[C@@H](C[NH2+]Cc1cnn2cc(Br)cnc12)c1ccnn1C ZINC000639095186 565225221 /nfs/dbraw/zinc/22/52/21/565225221.db2.gz KMKOWUDDXROMGK-CQSZACIVSA-N 1 0 377.290 2.755 20 0 GFADRO C[C@@H]1C[C@@H](C)C[NH+](CCN2CCN(c3ccc(Br)cn3)CC2)C1 ZINC000659827436 565225611 /nfs/dbraw/zinc/22/56/11/565225611.db2.gz VQGQHGOIZCGOFR-HZPDHXFCSA-N 1 0 381.362 2.944 20 0 GFADRO C[N@H+](CCc1nnn(C(C)(C)C)n1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000659852026 565226153 /nfs/dbraw/zinc/22/61/53/565226153.db2.gz JOIWZMNIJCTGGM-HOCLYGCPSA-N 1 0 384.311 2.868 20 0 GFADRO [NH3+]C/C=C/CNC(=O)N1CCC[C@H]1c1ccccc1I ZINC000591360936 565226979 /nfs/dbraw/zinc/22/69/79/565226979.db2.gz MWEVDDJZJMAXAW-XGACYXMMSA-N 1 0 385.249 2.653 20 0 GFADRO C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCC[N@@H+]2Cc2ccc(S(N)(=O)=O)c(Cl)c2)C1 ZINC000639134237 565226976 /nfs/dbraw/zinc/22/69/76/565226976.db2.gz HTTYOSHHXNKMGG-UOJCXKCYSA-N 1 0 386.945 2.749 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+][C@H](c2cncc(Br)c2)C2CC2)cc1 ZINC000639145978 565228865 /nfs/dbraw/zinc/22/88/65/565228865.db2.gz AGGRABFVACCDOV-INIZCTEOSA-N 1 0 396.310 2.732 20 0 GFADRO Nc1ccc(S(=O)(=O)NCC2CC[NH+](Cc3cccs3)CC2)c(F)c1 ZINC000659899436 565229395 /nfs/dbraw/zinc/22/93/95/565229395.db2.gz ICRDFBDFAWSGTH-UHFFFAOYSA-N 1 0 383.514 2.660 20 0 GFADRO COCCN(Cc1cnn2cc(Br)cnc12)Cc1cccnc1 ZINC000639172248 565230855 /nfs/dbraw/zinc/23/08/55/565230855.db2.gz JPVQNUSMHJFQRN-UHFFFAOYSA-N 1 0 376.258 2.535 20 0 GFADRO C[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2ccc(N)cc2F)[C@@H]1c1cccs1 ZINC000659914173 565230904 /nfs/dbraw/zinc/23/09/04/565230904.db2.gz IINUUZMHVBADTL-YVEFUNNKSA-N 1 0 383.514 2.831 20 0 GFADRO C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+]1CCC[C@@H](CCO)C1 ZINC000591472001 565231183 /nfs/dbraw/zinc/23/11/83/565231183.db2.gz FYWHMFHGMJFMFS-GJZGRUSLSA-N 1 0 383.330 2.890 20 0 GFADRO COc1nsc(C[NH2+]C[C@H](O)Cc2cccc(F)c2)c1Br ZINC000639212884 565233219 /nfs/dbraw/zinc/23/32/19/565233219.db2.gz AAPBMJDRILXMKE-LLVKDONJSA-N 1 0 375.263 2.747 20 0 GFADRO Brc1cnc2c(C[NH2+][C@@H]3CCO[C@@H](c4cccnc4)C3)cnn2c1 ZINC000639235748 565234419 /nfs/dbraw/zinc/23/44/19/565234419.db2.gz LERBYMBOMSEYQH-HZPDHXFCSA-N 1 0 388.269 2.897 20 0 GFADRO CC(C)(CO)[C@@H]([NH2+]Cc1ccc(S(N)(=O)=O)c(Cl)c1)c1cccs1 ZINC000639245189 565234584 /nfs/dbraw/zinc/23/45/84/565234584.db2.gz VNVNBPUPXVFSFL-HNNXBMFYSA-N 1 0 388.942 2.898 20 0 GFADRO CCn1ncnc1C[NH2+]C1CCN(Cc2cccc(Br)c2)CC1 ZINC000639271665 565236068 /nfs/dbraw/zinc/23/60/68/565236068.db2.gz GNYQHWRXQAAJAW-UHFFFAOYSA-N 1 0 378.318 2.815 20 0 GFADRO COc1ncc(Br)cc1CN1CCC(OCC[NH+]2CCCC2)CC1 ZINC000659974076 565236148 /nfs/dbraw/zinc/23/61/48/565236148.db2.gz KMUWOHYZOAJXNL-UHFFFAOYSA-N 1 0 398.345 2.930 20 0 GFADRO CCCN(C(=O)c1c(F)cccc1I)[C@H]1CC[NH2+]C1 ZINC000591679165 565236328 /nfs/dbraw/zinc/23/63/28/565236328.db2.gz HABRDZCOJSKRDD-JTQLQIEISA-N 1 0 376.213 2.644 20 0 GFADRO CO[C@H](C)c1nc(CN2CCC[N@H+](CCO[C@H]3CC3(F)F)CC2)cs1 ZINC000659993748 565236744 /nfs/dbraw/zinc/23/67/44/565236744.db2.gz NANOPCRGYQECQQ-HIFRSBDPSA-N 1 0 375.485 2.782 20 0 GFADRO C[NH+](C)C[C@@H]1CCCCN1S(=O)(=O)Cc1ccc(Br)c(F)c1 ZINC000660008410 565238073 /nfs/dbraw/zinc/23/80/73/565238073.db2.gz AWNINBPBOMEVBB-ZDUSSCGKSA-N 1 0 393.322 2.834 20 0 GFADRO CC(C)[N@H+](C)C[C@@H](O)CNC1(c2ccc(Br)cc2)CCOCC1 ZINC000660035309 565242067 /nfs/dbraw/zinc/24/20/67/565242067.db2.gz VWHCMCHIUSOLHG-KRWDZBQOSA-N 1 0 385.346 2.746 20 0 GFADRO [NH2+]=C1Nc2nc3ccccc3n2[C@H](c2cnc3ccc(Br)cn32)N1 ZINC000639405675 565243831 /nfs/dbraw/zinc/24/38/31/565243831.db2.gz DYPSFIICUXAVRS-CQSZACIVSA-N 1 0 382.225 2.943 20 0 GFADRO COc1cc(C(=O)N[C@@H](C)CN(C)CCC[NH+](C)C)sc1Br ZINC000617506538 565243887 /nfs/dbraw/zinc/24/38/87/565243887.db2.gz RQBJJWJEBXJIOT-NSHDSACASA-N 1 0 392.363 2.521 20 0 GFADRO CCCN(C[C@@H](O)COc1cc(Cl)cc(Cl)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000639451755 565246826 /nfs/dbraw/zinc/24/68/26/565246826.db2.gz KUHGCHUKDCCYGH-HUUCEWRRSA-N 1 0 396.336 2.632 20 0 GFADRO CCN(C(=O)[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)[C@@H]1CC[N@H+](C)C1 ZINC000617556075 565247297 /nfs/dbraw/zinc/24/72/97/565247297.db2.gz JISQXMKCBCMXOT-KGLIPLIRSA-N 1 0 384.307 2.899 20 0 GFADRO C[N@H+](CCCO)C1CCN(C[C@H](O)COc2cc(Cl)cc(Cl)c2)CC1 ZINC000639488637 565247733 /nfs/dbraw/zinc/24/77/33/565247733.db2.gz AEMCOTMXQCOJSB-KRWDZBQOSA-N 1 0 391.339 2.512 20 0 GFADRO O=C1C[C@H]([C@@H]2CCCC[N@H+]2C[C@H](O)COc2cc(Cl)cc(Cl)c2)CN1 ZINC000639552561 565249858 /nfs/dbraw/zinc/24/98/58/565249858.db2.gz BCCAGAXMSGFEIW-NUTKFTJISA-N 1 0 387.307 2.724 20 0 GFADRO O[C@@H](COc1cc(Cl)cc(Cl)c1)C[N@@H+]1CCOCC2(CCOCC2)C1 ZINC000639578612 565251126 /nfs/dbraw/zinc/25/11/26/565251126.db2.gz YKFSAXBORDUFEJ-MRXNPFEDSA-N 1 0 390.307 2.862 20 0 GFADRO CC(C)[NH2+][C@@H]1CCCN(C(=O)c2ccc3cncc(Br)c3n2)C1 ZINC000639635003 565252299 /nfs/dbraw/zinc/25/22/99/565252299.db2.gz NKYIBFQRKDVHAQ-CYBMUJFWSA-N 1 0 377.286 2.995 20 0 GFADRO COCC[N@@H+]1CCC[C@H](NC(=O)[C@H](C)Oc2cc(Cl)cc(Cl)c2)C1 ZINC000592090090 565253875 /nfs/dbraw/zinc/25/38/75/565253875.db2.gz AWCNSLRZYRQEJX-WFASDCNBSA-N 1 0 375.296 2.988 20 0 GFADRO COCC[N@@H+]1CCC[C@H](NC(=O)C(C)(C)c2cccc(Br)c2)C1 ZINC000592098683 565256191 /nfs/dbraw/zinc/25/61/91/565256191.db2.gz XYGYBIIPABAAQR-INIZCTEOSA-N 1 0 383.330 2.954 20 0 GFADRO C[C@@H]1[NH2+]CC[C@H]1C(=O)NCCSCCOc1cccc(Br)c1 ZINC000592140772 565260103 /nfs/dbraw/zinc/26/01/03/565260103.db2.gz XKORFXQVJMTZFO-SWLSCSKDSA-N 1 0 387.343 2.675 20 0 GFADRO Cn1ccnc1[C@@H]([NH2+]CCOc1ccc(Br)cc1)C(C)(C)CO ZINC000639774249 565260709 /nfs/dbraw/zinc/26/07/09/565260709.db2.gz TUEDFBRARREFHR-OAHLLOKOSA-N 1 0 382.302 2.911 20 0 GFADRO O=S(=O)(NC[C@H]1CCC[N@H+](CC2CC2)C1)c1cccc(Br)c1 ZINC000660178617 565263906 /nfs/dbraw/zinc/26/39/06/565263906.db2.gz JQEBGCZJKUIJMI-CQSZACIVSA-N 1 0 387.343 2.849 20 0 GFADRO CO[C@H](C[NH2+][C@@H](C)c1cc2c(cc1Br)OCCO2)[C@H]1CCOC1 ZINC000660186439 565265274 /nfs/dbraw/zinc/26/52/74/565265274.db2.gz ADFHGBOHKFSJHV-NVGCLXPQSA-N 1 0 386.286 2.922 20 0 GFADRO CCN(C(=O)CSc1nnc(-c2cccs2)n1C)[C@@H]1CC[N@H+](CC)C1 ZINC000617929854 565267708 /nfs/dbraw/zinc/26/77/08/565267708.db2.gz RMHLDHMKBMSFGC-CYBMUJFWSA-N 1 0 379.555 2.578 20 0 GFADRO CCN(C(=O)COc1ccc(Br)cc1C(C)=O)[C@H]1CC[N@H+](CC)C1 ZINC000617924187 565267783 /nfs/dbraw/zinc/26/77/83/565267783.db2.gz POULDFXMWJFCGM-HNNXBMFYSA-N 1 0 397.313 2.973 20 0 GFADRO CN(C)[C@H](C(=O)N1CC(Oc2cccc(Cl)c2Cl)C1)c1cncn1C ZINC000617965375 565269423 /nfs/dbraw/zinc/26/94/23/565269423.db2.gz HHCQYJYSCDXNBU-INIZCTEOSA-N 1 0 383.279 2.619 20 0 GFADRO CN1CC(=O)N(CC[NH2+][C@@H](c2cc(F)cc(Br)c2)C2CC2)C1=O ZINC000660320463 565271105 /nfs/dbraw/zinc/27/11/05/565271105.db2.gz UBNVNIAJHVJMDF-OAHLLOKOSA-N 1 0 384.249 2.523 20 0 GFADRO Cn1cc(C(=O)NC[C@H]2CCCN2Cc2cscc2Br)cn1 ZINC000639973742 565271626 /nfs/dbraw/zinc/27/16/26/565271626.db2.gz NNBFGTOQYMCVKM-CYBMUJFWSA-N 1 0 383.315 2.639 20 0 GFADRO CCC1([NH+]2CCCC2)CCN(Cc2cc(Cl)cc(S(N)(=O)=O)c2)CC1 ZINC000639986722 565273356 /nfs/dbraw/zinc/27/33/56/565273356.db2.gz QFLRVINFMGHXIF-UHFFFAOYSA-N 1 0 385.961 2.828 20 0 GFADRO CC[N@@H+](Cc1cccc(Br)c1)C[C@H](O)CN1C[C@@H](C)O[C@H](C)C1 ZINC000592390238 565274178 /nfs/dbraw/zinc/27/41/78/565274178.db2.gz ZZMGLTJEQYTWRF-RKVPGOIHSA-N 1 0 385.346 2.741 20 0 GFADRO O=C(CCOc1cccc(Cl)c1Cl)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000592410750 565275110 /nfs/dbraw/zinc/27/51/10/565275110.db2.gz LSPOABRCRXDFIN-CABCVRRESA-N 1 0 387.307 2.820 20 0 GFADRO OC[C@@H]1C[N@H+](C[C@H](O)COc2ccc(Cl)c(Cl)c2)C[C@H]1C(F)(F)F ZINC000640041536 565275664 /nfs/dbraw/zinc/27/56/64/565275664.db2.gz ZRIRKKJBBHWESV-JBLDHEPKSA-N 1 0 388.213 2.836 20 0 GFADRO Cc1ccc(C[N@H+](C[C@H]2CNC(=O)C2)C[C@H]2CCCO2)c(Br)c1 ZINC000660463377 565277519 /nfs/dbraw/zinc/27/75/19/565277519.db2.gz BTOKZRFNOQXDQU-GDBMZVCRSA-N 1 0 381.314 2.875 20 0 GFADRO CN(CCC[NH+]1CCCC1)CC(=O)c1c[nH]c2ncc(Br)cc12 ZINC000660464265 565277766 /nfs/dbraw/zinc/27/77/66/565277766.db2.gz MLORYGIQFIEZIP-UHFFFAOYSA-N 1 0 379.302 2.926 20 0 GFADRO [NH3+]C[C@H]1CCCn2ncc(C(=O)NCc3ccc(F)cc3Br)c21 ZINC000592499839 565279873 /nfs/dbraw/zinc/27/98/73/565279873.db2.gz ARAJESXQMBAQRR-SNVBAGLBSA-N 1 0 381.249 2.551 20 0 GFADRO [NH3+]C[C@H]1CCCn2ncc(C(=O)NCc3nc4cc(Cl)ccc4s3)c21 ZINC000592504837 565280084 /nfs/dbraw/zinc/28/00/84/565280084.db2.gz AENAQTOJWBVCNO-SNVBAGLBSA-N 1 0 375.885 2.912 20 0 GFADRO O=C(Cc1cccc(I)c1)N[C@H]1CC[NH2+]C12CCCC2 ZINC000592570825 565282237 /nfs/dbraw/zinc/28/22/37/565282237.db2.gz SDBCJRVBRYTWNA-AWEZNQCLSA-N 1 0 384.261 2.625 20 0 GFADRO COC(=O)[C@H]1C[NH2+]CCCN1C(=O)CCCOc1ccc(Cl)cc1Cl ZINC000592548061 565282352 /nfs/dbraw/zinc/28/23/52/565282352.db2.gz LUAOZPNWNSFTLY-CQSZACIVSA-N 1 0 389.279 2.516 20 0 GFADRO CN1CC(=O)N(CC[N@@H+]2CCCC[C@@H]2Cc2ccccc2Br)C1=O ZINC000660646302 565286139 /nfs/dbraw/zinc/28/61/39/565286139.db2.gz HUUVLKLYBCBBKO-OAHLLOKOSA-N 1 0 394.313 2.740 20 0 GFADRO C[C@@H](CC[NH+](C)C)NC(=O)Nc1cc(N2CCOCC2)ccc1Br ZINC000640233517 565288655 /nfs/dbraw/zinc/28/86/55/565288655.db2.gz AZICSPFJVZOTMQ-ZDUSSCGKSA-N 1 0 399.333 2.747 20 0 GFADRO CC[C@@H](C)[NH+]1CCN(CC(=O)c2c[nH]c3ncc(Br)cc23)CC1 ZINC000660738924 565291586 /nfs/dbraw/zinc/29/15/86/565291586.db2.gz UTOWNVKJNXFUOJ-GFCCVEGCSA-N 1 0 379.302 2.924 20 0 GFADRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1cnn(-c2cccc(Br)c2)c1 ZINC000592742082 565291789 /nfs/dbraw/zinc/29/17/89/565291789.db2.gz LRCDVTFWVWSVRQ-IRXDYDNUSA-N 1 0 389.297 2.991 20 0 GFADRO CC(C)[N@@H+]1CC[C@@H](N(C)CC(=O)c2c[nH]c3ncc(Br)cc23)C1 ZINC000660759919 565292836 /nfs/dbraw/zinc/29/28/36/565292836.db2.gz KOERWPDTXBGSBY-CYBMUJFWSA-N 1 0 379.302 2.923 20 0 GFADRO CN(C)[C@@H](CNC(=O)Nc1nn(CC(F)(F)F)cc1Cl)c1ccco1 ZINC000640289400 565294037 /nfs/dbraw/zinc/29/40/37/565294037.db2.gz BBPHVPXYCNBWFL-JTQLQIEISA-N 1 0 379.770 3.116 20 0 GFADRO CC[NH+]1CCC(N2CCCN(Cc3ncsc3Br)CC2)CC1 ZINC000660833624 565295477 /nfs/dbraw/zinc/29/54/77/565295477.db2.gz HBIIQUKYYJCQKX-UHFFFAOYSA-N 1 0 387.391 2.898 20 0 GFADRO CN1CC(=O)N(CC[N@@H+]2CCCC[C@@H]2Cc2cccc(Br)c2)C1=O ZINC000660836782 565295940 /nfs/dbraw/zinc/29/59/40/565295940.db2.gz KPACCHBDHGSIAD-MRXNPFEDSA-N 1 0 394.313 2.740 20 0 GFADRO CC[NH+](CC)Cc1ccccc1CNC(=O)Nc1nn(C)cc1Br ZINC000640307614 565296796 /nfs/dbraw/zinc/29/67/96/565296796.db2.gz FIJYBSHCYQOPBL-UHFFFAOYSA-N 1 0 394.317 3.346 20 0 GFADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)CCn2cc(Br)cn2)C1 ZINC000618387463 565298835 /nfs/dbraw/zinc/29/88/35/565298835.db2.gz WOYWXHRRYUHAPX-GASCZTMLSA-N 1 0 385.350 2.910 20 0 GFADRO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)CCn2cc(Br)cn2)C1 ZINC000618387467 565299221 /nfs/dbraw/zinc/29/92/21/565299221.db2.gz WOYWXHRRYUHAPX-GJZGRUSLSA-N 1 0 385.350 2.910 20 0 GFADRO CCCN(C(=O)Cc1ccc(I)cc1)[C@H]1CC[N@H+](C)C1 ZINC000592829710 565300057 /nfs/dbraw/zinc/30/00/57/565300057.db2.gz VYBDJSKFQROOEK-HNNXBMFYSA-N 1 0 386.277 2.776 20 0 GFADRO CC(C)c1n[nH]c(C(=O)N2CCN(c3cc[nH+]cc3)CC2)c1Br ZINC000592829458 565300231 /nfs/dbraw/zinc/30/02/31/565300231.db2.gz VNHISSRWGRWLKL-UHFFFAOYSA-N 1 0 378.274 2.653 20 0 GFADRO CCC[N@@H+]1CC[C@@H](NC(=O)N[C@@H]2COc3cc(F)c(Br)cc32)C1 ZINC000661136075 565308914 /nfs/dbraw/zinc/30/89/14/565308914.db2.gz HVYOVBODHMSTHV-QMTHXVAHSA-N 1 0 386.265 2.805 20 0 GFADRO O=C(c1ccc(Br)c(O)c1)N1CCCN(c2cc[nH+]cc2)CC1 ZINC000640445077 565310611 /nfs/dbraw/zinc/31/06/11/565310611.db2.gz DCMIARCBZKIKJP-UHFFFAOYSA-N 1 0 376.254 2.902 20 0 GFADRO COC[C@@H]([NH2+]CCOc1cc(F)cc(Br)c1)C1CCOCC1 ZINC000661158204 565311743 /nfs/dbraw/zinc/31/17/43/565311743.db2.gz NHRWUPKUWSAPJZ-MRXNPFEDSA-N 1 0 376.266 2.998 20 0 GFADRO COC(=O)[C@@H]1C[N@H+](C[C@@H](O)COc2cc(Cl)ccc2Cl)C[C@H]1C1CC1 ZINC000593125631 565314834 /nfs/dbraw/zinc/31/48/34/565314834.db2.gz BCWBIKYLGUKUQI-QLFBSQMISA-N 1 0 388.291 2.864 20 0 GFADRO CO[C@@H]1CCC[C@@H]([C@H](CO)[NH2+]CCC(=O)Nc2ccc(Br)cc2)C1 ZINC000661220561 565314838 /nfs/dbraw/zinc/31/48/38/565314838.db2.gz RFFMZSYZAQJDOB-XYPHTWIQSA-N 1 0 399.329 2.933 20 0 GFADRO O=C(NCC[N@@H+]1CCCOCC1)N1CC[C@@H]1c1ccc(Br)cc1 ZINC000661237839 565316411 /nfs/dbraw/zinc/31/64/11/565316411.db2.gz MTYQJLUIRFKNBB-MRXNPFEDSA-N 1 0 382.302 2.628 20 0 GFADRO C[N@H+](CC(=O)N1CCOC[C@@H]1c1cccc(Br)c1)[C@@H]1CCSC1 ZINC000618773543 565316519 /nfs/dbraw/zinc/31/65/19/565316519.db2.gz MMCUUUILOWRZAD-HZPDHXFCSA-N 1 0 399.354 2.786 20 0 GFADRO COCC[C@H]([NH3+])Cc1cn([C@@H](C)C(=O)Nc2cccc(Cl)c2Cl)nn1 ZINC000640780464 565327023 /nfs/dbraw/zinc/32/70/23/565327023.db2.gz IATLDAFONLDGPV-QWRGUYRKSA-N 1 0 386.283 2.691 20 0 GFADRO COCC[NH2+]CCc1cn([C@H](C)C(=O)Nc2cc(Cl)ccc2Cl)nn1 ZINC000640802255 565329130 /nfs/dbraw/zinc/32/91/30/565329130.db2.gz NXHFBJICORXLAJ-LLVKDONJSA-N 1 0 386.283 2.563 20 0 GFADRO C[C@H]1C[C@H](Nc2ncnc3cc(I)sc32)CC[N@@H+]1C ZINC000593464240 565332293 /nfs/dbraw/zinc/33/22/93/565332293.db2.gz HNCFVTLEZHTLCS-DTWKUNHWSA-N 1 0 388.278 3.191 20 0 GFADRO C[N@H+](C[C@H]1CCCN(S(C)(=O)=O)C1)[C@H](CO)c1cccc(Cl)c1Cl ZINC000661643969 565332847 /nfs/dbraw/zinc/33/28/47/565332847.db2.gz QTDLWQZIHFOYGI-IUODEOHRSA-N 1 0 395.352 2.630 20 0 GFADRO CC(C)[C@@H]([NH3+])c1cn(CC(=O)Nc2c(F)cc(F)cc2Br)nn1 ZINC000640895816 565335038 /nfs/dbraw/zinc/33/50/38/565335038.db2.gz QVZFSNGRIUBKEF-CYBMUJFWSA-N 1 0 388.216 2.613 20 0 GFADRO C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+]1C[C@@H]2COC[C@@]2(C)C1 ZINC000661705049 565335579 /nfs/dbraw/zinc/33/55/79/565335579.db2.gz ZLGQXYJZYBGICU-DDUZABMNSA-N 1 0 381.314 2.764 20 0 GFADRO CC[C@](C)([NH3+])c1cn([C@@H](C)C(=O)N(C)Cc2ccc(Br)cc2)nn1 ZINC000640926283 565337410 /nfs/dbraw/zinc/33/74/10/565337410.db2.gz PIHYBGSDXJWORW-SJCJKPOMSA-N 1 0 394.317 2.844 20 0 GFADRO Brc1ccc(-c2noc(Cn3cc([C@H]4CCC[NH2+]C4)nn3)n2)s1 ZINC000641048321 565343987 /nfs/dbraw/zinc/34/39/87/565343987.db2.gz GAQILJXMMWEKRV-VIFPVBQESA-N 1 0 395.286 2.667 20 0 GFADRO COc1ccc(Cn2cc([C@H]([NH3+])C3CCOCC3)nn2)c(Br)c1 ZINC000641118850 565347169 /nfs/dbraw/zinc/34/71/69/565347169.db2.gz XMAISRPGKACIAD-MRXNPFEDSA-N 1 0 381.274 2.524 20 0 GFADRO [NH3+][C@H](c1cn(Cc2ccc(Br)c3cccnc23)nn1)[C@H]1CCCO1 ZINC000641156636 565349179 /nfs/dbraw/zinc/34/91/79/565349179.db2.gz CGHSWSOYXKVMAH-HZPDHXFCSA-N 1 0 388.269 2.816 20 0 GFADRO CCc1nc(C)c(Cn2cc([C@@H]([NH3+])c3ccc(Br)cc3)nn2)o1 ZINC000641154904 565349312 /nfs/dbraw/zinc/34/93/12/565349312.db2.gz NSWNGVRPGUIHEU-INIZCTEOSA-N 1 0 376.258 2.996 20 0 GFADRO CC(C)NC(=O)[C@H]1CCC[N@H+](Cc2cn3cc(Br)ccc3n2)C1 ZINC000662117632 565351366 /nfs/dbraw/zinc/35/13/66/565351366.db2.gz WTDROLYAXWTAAK-ZDUSSCGKSA-N 1 0 379.302 2.833 20 0 GFADRO O[C@@H]1CC[N@@H+](C2CCN(Cc3cc(Br)cc(F)c3F)CC2)C1 ZINC000662149668 565351668 /nfs/dbraw/zinc/35/16/68/565351668.db2.gz PPSISJGYQCKATJ-CQSZACIVSA-N 1 0 375.257 2.758 20 0 GFADRO [NH3+][C@H](c1cn(Cc2c(F)ccc(Br)c2F)nn1)C1CCOCC1 ZINC000641173334 565352019 /nfs/dbraw/zinc/35/20/19/565352019.db2.gz FJGDJDDECXGSLW-HNNXBMFYSA-N 1 0 387.228 2.794 20 0 GFADRO CC(C)(C)c1nnc(Cn2cc([C@@H]([NH3+])c3ccc(Br)cc3)nn2)[nH]1 ZINC000641171125 565352315 /nfs/dbraw/zinc/35/23/15/565352315.db2.gz NCOHFRLGOLLWCP-AWEZNQCLSA-N 1 0 390.289 2.553 20 0 GFADRO C[C@H](C(=O)Nc1cc(Cl)ccc1Cl)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000662157807 565352400 /nfs/dbraw/zinc/35/24/00/565352400.db2.gz QOYMFUNVPJFCBD-IUODEOHRSA-N 1 0 386.323 2.851 20 0 GFADRO CC(C)(C)[C@H]([NH3+])c1cn(C[C@@H](O)COc2cccc(Br)c2)nn1 ZINC000641196885 565353111 /nfs/dbraw/zinc/35/31/11/565353111.db2.gz TVZAQVXMBOECEX-IUODEOHRSA-N 1 0 383.290 2.526 20 0 GFADRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)N1CCc2[nH]c3c(cccc3Br)c2C1 ZINC000641247920 565355707 /nfs/dbraw/zinc/35/57/07/565355707.db2.gz NIRLGCRJTSTYBE-XHDPSFHLSA-N 1 0 391.313 2.996 20 0 GFADRO C[C@H]([NH2+]CC[C@@]1(O)CCOC1)c1ccc(F)c(I)c1 ZINC000593725305 565358202 /nfs/dbraw/zinc/35/82/02/565358202.db2.gz XUIVRUKICSJWIO-IINYFYTJSA-N 1 0 379.213 2.622 20 0 GFADRO NC(=O)[C@H](c1cccc(Br)c1)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662295706 565359468 /nfs/dbraw/zinc/35/94/68/565359468.db2.gz WMFBHFZMQHXHHN-RDJZCZTQSA-N 1 0 380.330 2.687 20 0 GFADRO CCC[N@@H+]1CC[C@@H](NC(=O)c2ncc(Br)cc2Br)C1 ZINC000619897185 565362774 /nfs/dbraw/zinc/36/27/74/565362774.db2.gz HGGLHBMUHZNHEN-SNVBAGLBSA-N 1 0 391.107 2.821 20 0 GFADRO COc1ccc([C@H](C)NC(=O)c2c[nH]nc2[C@H]2CC[NH2+]C2)cc1Br ZINC000662357118 565362928 /nfs/dbraw/zinc/36/29/28/565362928.db2.gz ZLOIDQATDNVNNT-JQWIXIFHSA-N 1 0 393.285 2.749 20 0 GFADRO O=C(NCCNc1ncc(Cl)cc1Cl)c1cc(C2CC[NH2+]CC2)no1 ZINC000662390135 565364331 /nfs/dbraw/zinc/36/43/31/565364331.db2.gz WGHLUBOOROGRPX-UHFFFAOYSA-N 1 0 384.267 2.685 20 0 GFADRO CCN(Cc1cccc(Br)c1)C(=O)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC000662379259 565364674 /nfs/dbraw/zinc/36/46/74/565364674.db2.gz UCCTVCPJDYZHJG-ZDUSSCGKSA-N 1 0 377.286 2.911 20 0 GFADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)[C@@H](N)c2ccccc2Br)C1 ZINC000662386862 565365055 /nfs/dbraw/zinc/36/50/55/565365055.db2.gz OCHTZOSQNIWSJQ-VBQJREDUSA-N 1 0 382.346 2.933 20 0 GFADRO O=C(Cc1ccc(Br)cc1F)NCCC[NH2+]Cc1cccnc1 ZINC000662398021 565366003 /nfs/dbraw/zinc/36/60/03/565366003.db2.gz QOGKTMOFORPDNY-UHFFFAOYSA-N 1 0 380.261 2.822 20 0 GFADRO CC(C)C[C@H](C[NH3+])CC(=O)NC[C@H](O)COc1cccc(Cl)c1Cl ZINC000662409812 565366359 /nfs/dbraw/zinc/36/63/59/565366359.db2.gz COINKNSWIZMBBQ-STQMWFEESA-N 1 0 377.312 2.860 20 0 GFADRO Cc1cc(Br)cc(C)c1CNC(=O)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC000662420966 565367405 /nfs/dbraw/zinc/36/74/05/565367405.db2.gz FHHCMGSCTQYAHZ-GFCCVEGCSA-N 1 0 377.286 2.796 20 0 GFADRO C[C@@H]1C[C@H]([NH3+])CCN1C(=O)c1ccc(I)cc1Cl ZINC000593930379 565368690 /nfs/dbraw/zinc/36/86/90/565368690.db2.gz GFKKJQPKVOEIIL-PSASIEDQSA-N 1 0 378.641 2.896 20 0 GFADRO O=C(NCCOCc1ccc(Cl)cc1Cl)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC000662513316 565374038 /nfs/dbraw/zinc/37/40/38/565374038.db2.gz YZJYKBWHKCXKDF-LLVKDONJSA-N 1 0 383.279 2.740 20 0 GFADRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)Cc1ccc(Br)c(Br)c1 ZINC000662557293 565377186 /nfs/dbraw/zinc/37/71/86/565377186.db2.gz HDFMWFTYFLJRCB-NOZJJQNGSA-N 1 0 390.119 2.868 20 0 GFADRO N[C@H](C(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1)c1ccccc1Br ZINC000662590438 565378153 /nfs/dbraw/zinc/37/81/53/565378153.db2.gz MKRHMFMDXIIROC-YOEHRIQHSA-N 1 0 380.330 2.687 20 0 GFADRO O=C(Cc1cccc(I)c1)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000594194895 565378678 /nfs/dbraw/zinc/37/86/78/565378678.db2.gz AGCZYPXQZNRGLD-HOTGVXAUSA-N 1 0 398.288 2.967 20 0 GFADRO [NH3+]C[C@@H]1OCC[C@H]1C(=O)N1CCC(COc2cc(Cl)cc(Cl)c2)CC1 ZINC000662623941 565379097 /nfs/dbraw/zinc/37/90/97/565379097.db2.gz HHJZRTCXJWJUER-SJORKVTESA-N 1 0 387.307 2.975 20 0 GFADRO O=C(N1CCN(Cc2cccc(Cl)c2)CC1)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662666934 565380534 /nfs/dbraw/zinc/38/05/34/565380534.db2.gz QFEOIMLIMMAEBA-MRXNPFEDSA-N 1 0 375.822 2.526 20 0 GFADRO O=C([C@H]1CC[C@@H](C2CC2)[NH2+]1)N1CCN(c2ccc(Br)cc2)CC1 ZINC000662656862 565380700 /nfs/dbraw/zinc/38/07/00/565380700.db2.gz VJFUDLRVAXYUJL-DLBZAZTESA-N 1 0 378.314 2.628 20 0 GFADRO [NH3+]C1(C(=O)N2CCN(Cc3ccc(Br)s3)CC2)CC2(CCC2)C1 ZINC000662665300 565381239 /nfs/dbraw/zinc/38/12/39/565381239.db2.gz FEVXASMGDVWBTI-UHFFFAOYSA-N 1 0 398.370 2.816 20 0 GFADRO C[C@@H]1CCN(C(=O)CNC(=O)c2sc3ccccc3c2Cl)[C@H](C[NH3+])C1 ZINC000662698326 565381675 /nfs/dbraw/zinc/38/16/75/565381675.db2.gz JTRRNOWKPSCHGM-NEPJUHHUSA-N 1 0 379.913 2.870 20 0 GFADRO CCCOc1c(Br)cc(C(=O)N2CC3CC2(C[NH3+])C3)cc1OC ZINC000662675627 565381710 /nfs/dbraw/zinc/38/17/10/565381710.db2.gz NVWJAIRZWUXUNA-UHFFFAOYSA-N 1 0 383.286 2.810 20 0 GFADRO [NH3+]CC12CC(C1)CN2C(=O)[C@@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1 ZINC000662676221 565382412 /nfs/dbraw/zinc/38/24/12/565382412.db2.gz ANPSJSOACFRINQ-AAEPOTHZSA-N 1 0 382.291 2.548 20 0 GFADRO [NH3+]C1(C(=O)N2CCc3cc(Br)c(Br)cc3C2)CCC1 ZINC000662731667 565383311 /nfs/dbraw/zinc/38/33/11/565383311.db2.gz AFGABLVGHPCLFV-UHFFFAOYSA-N 1 0 388.103 2.978 20 0 GFADRO O=C(NCCOc1ncc(C(F)(F)F)cc1Cl)C1([NH2+]C2CC2)CCC1 ZINC000662746972 565384905 /nfs/dbraw/zinc/38/49/05/565384905.db2.gz ZOMRVSMAYJYTGJ-UHFFFAOYSA-N 1 0 377.794 2.924 20 0 GFADRO O=C(CSc1cccc(Br)c1)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000620480369 565385039 /nfs/dbraw/zinc/38/50/39/565385039.db2.gz BPISXLQMJBKTBR-HNNXBMFYSA-N 1 0 399.354 2.599 20 0 GFADRO CC[C@@H]1CN(C(=O)[C@@H]2CCO[C@H]2c2cncc(Br)c2)CC[C@@H]1[NH3+] ZINC000662774195 565385056 /nfs/dbraw/zinc/38/50/56/565385056.db2.gz MEFSDXZIAOIEHL-FWYOQMDTSA-N 1 0 382.302 2.508 20 0 GFADRO CC(C)(C)n1cc(Br)c(C(=O)NCc2ccc3c(c2)C[NH2+]C3)n1 ZINC000662771233 565385063 /nfs/dbraw/zinc/38/50/63/565385063.db2.gz WTYMENNFGZCZPP-UHFFFAOYSA-N 1 0 377.286 2.934 20 0 GFADRO O=C(N1CCC([N@@H+]2CC[C@H](O)C2)CC1)C1(c2ccc(Br)cc2)CC1 ZINC000620492813 565385911 /nfs/dbraw/zinc/38/59/11/565385911.db2.gz ZKUSVQLCMDZZFG-KRWDZBQOSA-N 1 0 393.325 2.538 20 0 GFADRO C[C@H](Oc1cc(Cl)cc(Cl)c1)C(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000620484208 565386192 /nfs/dbraw/zinc/38/61/92/565386192.db2.gz JDPZAOVOGSLVHK-BLLLJJGKSA-N 1 0 387.307 2.818 20 0 GFADRO Cc1c(Br)cncc1C(=O)N1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000662832755 565387593 /nfs/dbraw/zinc/38/75/93/565387593.db2.gz YCTXFTXWMQQMKV-WQVCFCJDSA-N 1 0 382.302 2.654 20 0 GFADRO CC[NH+](CC)C[C@@H](C)NC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000620550654 565388173 /nfs/dbraw/zinc/38/81/73/565388173.db2.gz YZOMEQCEJIIITM-CYBMUJFWSA-N 1 0 388.343 2.950 20 0 GFADRO O=C([C@H]1C[NH2+]CCC1(F)F)N1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000662857025 565388716 /nfs/dbraw/zinc/38/87/16/565388716.db2.gz BUWOCNYWMLJRIR-GFCCVEGCSA-N 1 0 378.250 2.887 20 0 GFADRO O=C(Cc1csc(COc2ccc(Cl)cc2)n1)NCC12CC(C1)C[NH2+]2 ZINC000662921797 565389423 /nfs/dbraw/zinc/38/94/23/565389423.db2.gz CGDVTOBTKRWLJR-UHFFFAOYSA-N 1 0 377.897 2.786 20 0 GFADRO C[NH2+]C[C@@H](C)NC(=O)Cc1ccc(NC(=O)c2ccc(Br)o2)cc1 ZINC000662959638 565391227 /nfs/dbraw/zinc/39/12/27/565391227.db2.gz KFGQITYASXWPNX-LLVKDONJSA-N 1 0 394.269 2.561 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)c(C)c1C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000662945567 565391292 /nfs/dbraw/zinc/39/12/92/565391292.db2.gz RJVIPUHLWMPLSJ-HUUCEWRRSA-N 1 0 395.276 2.763 20 0 GFADRO O=c1[nH]c2ccc(C[NH2+]C[C@H](CO)Cc3ccc(Br)cc3)cc2[nH]1 ZINC000641761453 565397255 /nfs/dbraw/zinc/39/72/55/565397255.db2.gz IZWMJLIFZYSKBJ-CQSZACIVSA-N 1 0 390.281 2.972 20 0 GFADRO COCC[C@@H](CO)[NH2+]Cc1c(C)nn(-c2ccc(Br)cc2)c1C ZINC000641765667 565398078 /nfs/dbraw/zinc/39/80/78/565398078.db2.gz SBYVRKQNYYVFLK-HNNXBMFYSA-N 1 0 382.302 2.739 20 0 GFADRO C[C@@H]([NH2+][C@@H]1CCCN(CCN2CCOCC2)C1)c1ccc(Br)cc1 ZINC000641789078 565399399 /nfs/dbraw/zinc/39/93/99/565399399.db2.gz YJQFXQLABWKCTE-VQIMIIECSA-N 1 0 396.373 2.896 20 0 GFADRO CSc1ncc(Cl)c(C(=O)N2CC3(CCCC3)OC[C@H]2C[NH+](C)C)n1 ZINC000620915007 565402426 /nfs/dbraw/zinc/40/24/26/565402426.db2.gz YBJYCWPBZSRQHY-GFCCVEGCSA-N 1 0 384.933 2.567 20 0 GFADRO C[NH+](C)CCC[C@@H]1CN(C(=O)COc2cc(Cl)ccc2Cl)CCO1 ZINC000620965402 565403259 /nfs/dbraw/zinc/40/32/59/565403259.db2.gz NKFUMPPMYMDNOZ-CQSZACIVSA-N 1 0 375.296 2.941 20 0 GFADRO Ic1ccccc1Cn1cc(C[NH2+]C2CCCC2)nn1 ZINC000594654598 565404588 /nfs/dbraw/zinc/40/45/88/565404588.db2.gz YIDSDCZDWFIOQW-UHFFFAOYSA-N 1 0 382.249 2.963 20 0 GFADRO CC(C)C(=O)N1CCC([NH2+]C[C@H](O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000642102349 565405156 /nfs/dbraw/zinc/40/51/56/565405156.db2.gz LKXYBAXNMCWAII-AWEZNQCLSA-N 1 0 389.323 2.970 20 0 GFADRO CCOc1ccc(S(=O)(=O)N(C)[C@H](C[NH3+])C(F)(F)F)c2ccccc12 ZINC000663311659 565411275 /nfs/dbraw/zinc/41/12/75/565411275.db2.gz OYVFXLYPEDKUIK-OAHLLOKOSA-N 1 0 376.400 2.749 20 0 GFADRO C[C@@H](CNS(=O)(=O)c1cccc(Br)c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000642515841 565413470 /nfs/dbraw/zinc/41/34/70/565413470.db2.gz PIRCRZOSWMSSFB-OLZOCXBDSA-N 1 0 375.332 2.848 20 0 GFADRO COc1cc(C[N@@H+]2CC[C@@]3(C2)C(=O)Nc2ccccc23)c(Br)cn1 ZINC000621281058 565414472 /nfs/dbraw/zinc/41/44/72/565414472.db2.gz PGACZFXOFCJBAV-SFHVURJKSA-N 1 0 388.265 2.949 20 0 GFADRO COc1cc(C[NH2+][C@@H](C2CC2)C2(CO)CCOCC2)c(Br)cn1 ZINC000621314140 565419045 /nfs/dbraw/zinc/41/90/45/565419045.db2.gz KTVDOICKECLGIR-INIZCTEOSA-N 1 0 385.302 2.510 20 0 GFADRO C[C@@H](C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1)c1cccc(Br)c1 ZINC000643205989 565424657 /nfs/dbraw/zinc/42/46/57/565424657.db2.gz RAWDXEJYTFXSPU-PBHICJAKSA-N 1 0 394.357 2.837 20 0 GFADRO OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1Nc1cc(Br)cnn1 ZINC000663649976 565429238 /nfs/dbraw/zinc/42/92/38/565429238.db2.gz FDXDVZPVMOOCGM-GOEBONIOSA-N 1 0 377.286 2.534 20 0 GFADRO COc1cc(N2CCC(OCC[NH+]3CCCC3)CC2)c(Br)cn1 ZINC000663678541 565429890 /nfs/dbraw/zinc/42/98/90/565429890.db2.gz PVLDODXDAUJRRD-UHFFFAOYSA-N 1 0 384.318 2.934 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)CC[C@H]1CCC[NH2+]C1 ZINC000621624965 565433118 /nfs/dbraw/zinc/43/31/18/565433118.db2.gz CPJTUMNSTOAPOZ-CQSZACIVSA-N 1 0 396.329 2.934 20 0 GFADRO CN(CCc1cccc(Br)c1)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000643454291 565433940 /nfs/dbraw/zinc/43/39/40/565433940.db2.gz DJJRVYFDMOXFPE-UHFFFAOYSA-N 1 0 394.317 2.914 20 0 GFADRO [NH3+][C@@H]1C[C@@H]2CN(C(=O)c3sc4cccc(Cl)c4c3Cl)CCN2C1=O ZINC000594876837 565433882 /nfs/dbraw/zinc/43/38/82/565433882.db2.gz CJXGSZXSJOHYGQ-PSASIEDQSA-N 1 0 384.288 2.592 20 0 GFADRO O[C@H](C[NH2+]Cc1cc(Cl)ccc1I)C1CCOCC1 ZINC000594923008 565435672 /nfs/dbraw/zinc/43/56/72/565435672.db2.gz ROCICRVYWWVNLC-CQSZACIVSA-N 1 0 395.668 2.822 20 0 GFADRO O=C(C[C@@H]1CSCC[NH2+]1)NCC(F)(F)c1ccc(Br)cc1 ZINC000621671279 565436037 /nfs/dbraw/zinc/43/60/37/565436037.db2.gz MYOOWEUZUQLHHA-GFCCVEGCSA-N 1 0 379.270 2.752 20 0 GFADRO OC[C@@H](C[NH2+]Cc1cc(Cl)ccc1I)[C@@H]1CCOC1 ZINC000594939044 565436281 /nfs/dbraw/zinc/43/62/81/565436281.db2.gz ZOWJYKSILAVRBX-ZYHUDNBSSA-N 1 0 395.668 2.679 20 0 GFADRO O=C1NCCC[C@@H]1C[NH2+]Cc1cc(Cl)ccc1I ZINC000594945962 565437053 /nfs/dbraw/zinc/43/70/53/565437053.db2.gz KEEYXTXGAMDLFR-SECBINFHSA-N 1 0 378.641 2.560 20 0 GFADRO Cc1nc(C(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)nn1-c1c(Cl)cccc1Cl ZINC000621690684 565437177 /nfs/dbraw/zinc/43/71/77/565437177.db2.gz WRNOJCJESUKBSD-PIGZYNQJSA-N 1 0 380.279 2.836 20 0 GFADRO COc1ccc(Br)cc1C(=O)CCC(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000621683202 565437472 /nfs/dbraw/zinc/43/74/72/565437472.db2.gz RHTGCHPDGQDGCN-XIKOKIGWSA-N 1 0 395.297 2.760 20 0 GFADRO [NH3+][C@]12CCC[C@H]1CN(C(=O)c1ccn(-c3cccc(Br)c3)n1)C2 ZINC000621690650 565437489 /nfs/dbraw/zinc/43/74/89/565437489.db2.gz WJCJJQFRJKJNTN-SJCJKPOMSA-N 1 0 375.270 2.588 20 0 GFADRO Cc1noc(C)c1CN1C[C@@H](F)C[C@H]1CNc1cc(Br)cnn1 ZINC000663825771 565438181 /nfs/dbraw/zinc/43/81/81/565438181.db2.gz HXEVQEGXLVLZFY-STQMWFEESA-N 1 0 384.253 2.868 20 0 GFADRO Ic1ccc2c(c1)[C@H]([NH2+]CCCN1CCOCC1)CC2 ZINC000595006431 565442679 /nfs/dbraw/zinc/44/26/79/565442679.db2.gz JVPIUGRIYUPYCZ-MRXNPFEDSA-N 1 0 386.277 2.590 20 0 GFADRO COC(=O)CC(C)(C)C[C@@H](C)[NH2+]CCNS(=O)(=O)c1cc(C)sc1C ZINC000595022571 565443929 /nfs/dbraw/zinc/44/39/29/565443929.db2.gz NOSPPISKBRUVOU-GFCCVEGCSA-N 1 0 390.571 2.601 20 0 GFADRO C[C@H](CCS(C)(=O)=O)[NH2+][C@@H]1CCc2ccc(I)cc21 ZINC000595020849 565444041 /nfs/dbraw/zinc/44/40/41/565444041.db2.gz NTZCTVTYNAHXOV-QMTHXVAHSA-N 1 0 393.290 2.691 20 0 GFADRO OC[C@@H]([NH2+][C@H]1CCc2ccc(I)cc21)C1CCOCC1 ZINC000595031809 565444859 /nfs/dbraw/zinc/44/48/59/565444859.db2.gz FNUYJLGLGYDUMK-JKSUJKDBSA-N 1 0 387.261 2.656 20 0 GFADRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCc2ccc(I)cc21 ZINC000595036929 565445157 /nfs/dbraw/zinc/44/51/57/565445157.db2.gz XNNYGGMWIJKGAJ-BPLDGKMQSA-N 1 0 384.261 2.783 20 0 GFADRO COC(=O)c1cn(CC[NH2+][C@@H](Cc2ccc(Br)cc2)C(C)C)nn1 ZINC000595049653 565445436 /nfs/dbraw/zinc/44/54/36/565445436.db2.gz OAEJUJZANDTQRA-HNNXBMFYSA-N 1 0 395.301 2.684 20 0 GFADRO CO[C@H](C[NH2+][C@@H](C)c1ccccc1I)[C@H]1CCOC1 ZINC000595060204 565445738 /nfs/dbraw/zinc/44/57/38/565445738.db2.gz JZNVKLVINLOBKN-SLEUVZQESA-N 1 0 375.250 2.993 20 0 GFADRO CO[C@H](C[NH2+][C@H](C)c1ccc(I)cc1)[C@H]1CCOC1 ZINC000595059946 565445921 /nfs/dbraw/zinc/44/59/21/565445921.db2.gz JCHBTGGHHCYAEK-OSAQELSMSA-N 1 0 375.250 2.993 20 0 GFADRO O=C1C[C@@H](C[NH2+][C@@H]2CCc3ccc(I)cc32)CN1C1CC1 ZINC000595044503 565445791 /nfs/dbraw/zinc/44/57/91/565445791.db2.gz BACMHORDBDPPPB-MEDUHNTESA-N 1 0 396.272 2.879 20 0 GFADRO O=C(c1cc2c(cc1Br)OCO2)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000621861215 565446110 /nfs/dbraw/zinc/44/61/10/565446110.db2.gz UKQOFVZLILLBEU-LBPRGKRZSA-N 1 0 381.270 2.878 20 0 GFADRO C[C@@H](NC(=O)c1cc(Br)c[nH]c1=O)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000621948593 565450745 /nfs/dbraw/zinc/45/07/45/565450745.db2.gz DVEMNKUZEIFKKV-NEPJUHHUSA-N 1 0 382.302 2.933 20 0 GFADRO C[N@@H+]1CCCC12CCN(C(=O)c1cc3c(cc1Br)OCO3)CC2 ZINC000621940812 565451141 /nfs/dbraw/zinc/45/11/41/565451141.db2.gz ADGIZGQVRQLPHA-UHFFFAOYSA-N 1 0 381.270 2.878 20 0 GFADRO C[C@@H](NC(=O)[C@H]1[NH2+]CC1(C)C)c1nc(-c2ccc(Br)cc2)no1 ZINC000643974887 565453747 /nfs/dbraw/zinc/45/37/47/565453747.db2.gz VEKGFVWGUSZTEN-BXKDBHETSA-N 1 0 379.258 2.674 20 0 GFADRO COCC[C@@H](Cc1cccc(Br)c1)C(=O)NC1CC([NH+](C)C)C1 ZINC000622009665 565454565 /nfs/dbraw/zinc/45/45/65/565454565.db2.gz FUHXRGGLQQXBKL-OOHWJJMZSA-N 1 0 383.330 2.853 20 0 GFADRO COc1ccc(Br)cc1CN(C)C(=O)[C@@H]1C[NH2+]CCC1(F)F ZINC000644008553 565454884 /nfs/dbraw/zinc/45/48/84/565454884.db2.gz DLEYGJQXDKQFCK-LBPRGKRZSA-N 1 0 377.229 2.661 20 0 GFADRO [NH3+][C@]12CCC[C@@H]1CN(S(=O)(=O)Cc1ccc(Cl)cc1Br)C2 ZINC000622014553 565455407 /nfs/dbraw/zinc/45/54/07/565455407.db2.gz HJHNYJTVMOCEDJ-RISCZKNCSA-N 1 0 393.734 2.746 20 0 GFADRO COc1cc(I)ccc1NC(=O)N(C)CC(C)(C)[NH3+] ZINC000595232467 565456871 /nfs/dbraw/zinc/45/68/71/565456871.db2.gz CXPYVYFRCNFIAW-UHFFFAOYSA-N 1 0 377.226 2.501 20 0 GFADRO COCC[C@@H](Cc1cccc(Br)c1)C(=O)N1CC[NH2+]CC1(C)C ZINC000644074556 565457035 /nfs/dbraw/zinc/45/70/35/565457035.db2.gz VCDMBJJXQHPNCC-HNNXBMFYSA-N 1 0 383.330 2.855 20 0 GFADRO CC1([NH3+])CCN(C(=O)Nc2ccc(I)cc2F)CC1 ZINC000595234603 565457077 /nfs/dbraw/zinc/45/70/77/565457077.db2.gz MJGOKDMGGLNDFY-UHFFFAOYSA-N 1 0 377.201 2.775 20 0 GFADRO [NH3+]C1(CNC(=O)NCc2cc(Cl)ccc2I)CCC1 ZINC000595266020 565459944 /nfs/dbraw/zinc/45/99/44/565459944.db2.gz XJEWDLAAXIQOHY-UHFFFAOYSA-N 1 0 393.656 2.625 20 0 GFADRO CC[C@H](Cc1ccccc1Br)C(=O)NC[C@]1(COC)CCC[NH2+]1 ZINC000644126184 565460591 /nfs/dbraw/zinc/46/05/91/565460591.db2.gz HPNYFWDWAAAWKO-KDOFPFPSSA-N 1 0 383.330 2.903 20 0 GFADRO COC(=O)[C@H](c1ccccc1Br)N1CCN(c2cc[nH+]cc2)CC1 ZINC000595344969 565466280 /nfs/dbraw/zinc/46/62/80/565466280.db2.gz AWUKZJJMGQFEFO-KRWDZBQOSA-N 1 0 390.281 2.880 20 0 GFADRO O=C(NC[C@@H]1CC[N@@H+]1Cc1ccccc1)c1cc(Br)c[nH]c1=O ZINC000622183520 565466742 /nfs/dbraw/zinc/46/67/42/565466742.db2.gz WZRGMGFEPQUYQU-AWEZNQCLSA-N 1 0 376.254 2.554 20 0 GFADRO C[C@@H](Oc1ccc(Br)cc1)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000622407687 565470896 /nfs/dbraw/zinc/47/08/96/565470896.db2.gz IBGWYOLTGNLYIO-GFCCVEGCSA-N 1 0 381.274 2.613 20 0 GFADRO Cc1csc(C[NH2+]C[C@H](O)COc2cc(F)cc(Br)c2)n1 ZINC000644516377 565479449 /nfs/dbraw/zinc/47/94/49/565479449.db2.gz OPJWVNWNEPMALQ-LBPRGKRZSA-N 1 0 375.263 2.883 20 0 GFADRO COC[C@H](C[N@@H+]1CC[C@H](Cc2cccc(I)c2)C1)OC ZINC000595506750 565479651 /nfs/dbraw/zinc/47/96/51/565479651.db2.gz LGHPNCLCYZDYRP-ZBFHGGJFSA-N 1 0 389.277 2.817 20 0 GFADRO O=c1[nH]c2c(cc1C[NH2+]C[C@H](O)COc1cccc(Br)c1)CCC2 ZINC000644564210 565481782 /nfs/dbraw/zinc/48/17/82/565481782.db2.gz FCQCXBPILLKGGK-HNNXBMFYSA-N 1 0 393.281 2.568 20 0 GFADRO CN(CC[NH2+]C[C@@H](O)COc1ccc(Cl)c(Cl)c1)CC(F)(F)F ZINC000644561549 565481979 /nfs/dbraw/zinc/48/19/79/565481979.db2.gz ZMLYCRFGIKBGHV-SNVBAGLBSA-N 1 0 375.218 2.817 20 0 GFADRO COc1cc(CC[NH2+]C[C@@H](O)COc2ccc(Br)cc2)ccc1O ZINC000644601925 565484351 /nfs/dbraw/zinc/48/43/51/565484351.db2.gz CTDYTEGZBPJDSP-OAHLLOKOSA-N 1 0 396.281 2.735 20 0 GFADRO Cc1ccc(Cl)c(OC[C@H](O)C[NH2+]Cc2cccc(S(C)(=O)=O)c2)c1 ZINC000644659935 565487552 /nfs/dbraw/zinc/48/75/52/565487552.db2.gz DWVLERCUZOVKTC-OAHLLOKOSA-N 1 0 383.897 2.581 20 0 GFADRO COc1c(Br)ccc(C)c1C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000644675734 565489068 /nfs/dbraw/zinc/48/90/68/565489068.db2.gz JITXXMRLUSSODG-AWEZNQCLSA-N 1 0 397.313 2.749 20 0 GFADRO COC(=O)[C@@H]1CC[N@H+](C[C@@H](O)COc2ccc(Cl)c(Cl)c2)C[C@@H]1C ZINC000595824133 565492139 /nfs/dbraw/zinc/49/21/39/565492139.db2.gz WPEPTIQXPOHUOI-OUCADQQQSA-N 1 0 376.280 2.864 20 0 GFADRO O=C(c1nc(C2CC2)ncc1Br)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000623055636 565493045 /nfs/dbraw/zinc/49/30/45/565493045.db2.gz YQDRUKSYTZNSHV-UONOGXRCSA-N 1 0 379.302 2.863 20 0 GFADRO COC(=O)c1ccc(C[N@@H+]2CCC[C@H](C(=O)NC(C)C)C2)c(Br)c1 ZINC000595849176 565493137 /nfs/dbraw/zinc/49/31/37/565493137.db2.gz HFXDNCYWAIHXCZ-HNNXBMFYSA-N 1 0 397.313 2.972 20 0 GFADRO C[N@@H+]1C[C@H]2CCN(C(=O)c3cc(Br)cc(Br)c3)[C@@H]2C1 ZINC000644824428 565496559 /nfs/dbraw/zinc/49/65/59/565496559.db2.gz VXKXNFMBLOGYNM-NOZJJQNGSA-N 1 0 388.103 2.988 20 0 GFADRO Cc1nc2ccc(Br)cn2c1C(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000644830069 565497080 /nfs/dbraw/zinc/49/70/80/565497080.db2.gz YTWKXPOUTORLAM-QGZVFWFLSA-N 1 0 377.286 2.573 20 0 GFADRO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)c2[nH]nc(-c3ccccc3)c2Br)C1 ZINC000644822596 565497211 /nfs/dbraw/zinc/49/72/11/565497211.db2.gz LEMLECHCJFBBLE-STQMWFEESA-N 1 0 375.270 2.615 20 0 GFADRO COC(=O)[C@@H](c1cccc(Br)c1)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000595907814 565497591 /nfs/dbraw/zinc/49/75/91/565497591.db2.gz YQGJALZURSXSGH-IAGOWNOFSA-N 1 0 399.329 2.706 20 0 GFADRO CCC[NH2+][C@@H](C)C(=O)NCc1cc(Cl)ccc1I ZINC000595939500 565501285 /nfs/dbraw/zinc/50/12/85/565501285.db2.gz XVSJUJIICNVAEG-VIFPVBQESA-N 1 0 380.657 2.949 20 0 GFADRO C[N@@H+]1CC[C@H](C(=O)N(CCn2ccnc2)Cc2ccccc2Br)C1 ZINC000644887857 565501878 /nfs/dbraw/zinc/50/18/78/565501878.db2.gz JCEDJOKEDGHFTA-INIZCTEOSA-N 1 0 391.313 2.626 20 0 GFADRO Clc1cc(Cl)c(OCCN2CCOCC2)c(C[NH2+]C[C@@H]2CCCO2)c1 ZINC000623337364 565504056 /nfs/dbraw/zinc/50/40/56/565504056.db2.gz HAHAQUYNDOZHGS-INIZCTEOSA-N 1 0 389.323 2.973 20 0 GFADRO C[C@@H]([NH2+]Cc1cc(Cl)cc(Cl)c1OCCN1CCOCC1)[C@H](C)CO ZINC000623427817 565509612 /nfs/dbraw/zinc/50/96/12/565509612.db2.gz NZAUUZRCSCBJTO-ZIAGYGMSSA-N 1 0 391.339 2.811 20 0 GFADRO CCOC(=O)[C@]1(C)CCC[C@@H]1[NH2+][C@@H](C(N)=O)c1cccc(Br)c1 ZINC000596051079 565510567 /nfs/dbraw/zinc/51/05/67/565510567.db2.gz LLVVQZOFQOTPFU-JJRVBVJISA-N 1 0 383.286 2.687 20 0 GFADRO COc1ccc(Br)c(CNC(=O)NC[C@H]2CCCC[N@H+](C)C2)c1 ZINC000623437338 565510950 /nfs/dbraw/zinc/51/09/50/565510950.db2.gz AQVXPFPYTAJSIX-CYBMUJFWSA-N 1 0 384.318 2.989 20 0 GFADRO O=S(=O)(C[C@@H](O)C[NH2+]Cc1csc(C(F)(F)F)c1)c1cccs1 ZINC000623470280 565512939 /nfs/dbraw/zinc/51/29/39/565512939.db2.gz HHUSTTFUXQWYEV-JTQLQIEISA-N 1 0 385.454 2.753 20 0 GFADRO O=C(Nc1nnc(-c2ccsc2)s1)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000665833263 565513669 /nfs/dbraw/zinc/51/36/69/565513669.db2.gz XAHCPTLXEINHBJ-ZDUSSCGKSA-N 1 0 379.511 2.641 20 0 GFADRO Clc1cc(Cl)c(OCCN2CCOCC2)c(C[NH2+][C@H]2CCOC2)c1 ZINC000623471258 565513726 /nfs/dbraw/zinc/51/37/26/565513726.db2.gz UMPORYXDQPXSDO-HNNXBMFYSA-N 1 0 375.296 2.583 20 0 GFADRO Fc1ccc(-n2cc(C[NH2+]CCCCn3cc(Br)cn3)nn2)cc1 ZINC000623510912 565515337 /nfs/dbraw/zinc/51/53/37/565515337.db2.gz QNYXYPXLUCULMD-UHFFFAOYSA-N 1 0 393.264 2.935 20 0 GFADRO CC[N@H+](CC(=O)OC(C)(C)C)C1CCN(c2cc(Br)cnn2)CC1 ZINC000596204258 565515594 /nfs/dbraw/zinc/51/55/94/565515594.db2.gz BMMHQIZYHBQZSM-UHFFFAOYSA-N 1 0 399.333 2.872 20 0 GFADRO COc1cc(C[NH2+]CCN(C)S(=O)(=O)c2ccc(F)cc2)ccc1Cl ZINC000623512838 565515665 /nfs/dbraw/zinc/51/56/65/565515665.db2.gz WULKOEXFNFLVDM-UHFFFAOYSA-N 1 0 386.876 2.898 20 0 GFADRO CC[N@@H+]1CC[C@H]2OCCN(C[C@H](O)COc3ccc(Cl)c(Cl)c3)[C@H]2C1 ZINC000645177965 565515830 /nfs/dbraw/zinc/51/58/30/565515830.db2.gz LYTVYVWHSAHANN-DOPJRALCSA-N 1 0 389.323 2.528 20 0 GFADRO COCC[N@@H+]1CC[C@H](NC(=O)NCC/C=C\c2ccc(Br)cc2)C1 ZINC000623635017 565522090 /nfs/dbraw/zinc/52/20/90/565522090.db2.gz OIYORPQPKSKQDJ-MMTGSJLXSA-N 1 0 396.329 2.872 20 0 GFADRO OC[C@]1([NH2+]Cc2cnn3c2CCC3)CCc2cc(Br)ccc2C1 ZINC000623645319 565523143 /nfs/dbraw/zinc/52/31/43/565523143.db2.gz XKENNLHFJZIKFM-SFHVURJKSA-N 1 0 376.298 2.601 20 0 GFADRO Cc1cc(Br)c(C[NH2+][C@H]2C[C@H](C(N)=O)C2)cc1Br ZINC000623660957 565524574 /nfs/dbraw/zinc/52/45/74/565524574.db2.gz BYJQKGVTKRNPNS-CZMCAQCFSA-N 1 0 376.092 2.874 20 0 GFADRO COc1cc(C[NH2+][C@@H]2CCO[C@H]2c2ccc(=O)[nH]c2)cc(Br)c1O ZINC000623737362 565528033 /nfs/dbraw/zinc/52/80/33/565528033.db2.gz ZJKQZPYRWHBBGT-DYVFJYSZSA-N 1 0 395.253 2.884 20 0 GFADRO Cc1cc(Br)cc(C(=O)NCCCC[NH+]2CCN(C)CC2)c1C ZINC000666326887 565531734 /nfs/dbraw/zinc/53/17/34/565531734.db2.gz USMYUFZKSMVIJU-UHFFFAOYSA-N 1 0 382.346 2.823 20 0 GFADRO C[C@@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+]CCCN(C)S(C)(=O)=O ZINC000623861895 565533213 /nfs/dbraw/zinc/53/32/13/565533213.db2.gz GAFKWCDMZSPTQR-JTQLQIEISA-N 1 0 387.855 2.556 20 0 GFADRO O=S(=O)(c1ncccc1C(F)(F)F)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000645515655 565533426 /nfs/dbraw/zinc/53/34/26/565533426.db2.gz MMQNNVGIEGNQCA-CYBMUJFWSA-N 1 0 377.432 2.739 20 0 GFADRO Cc1ccc(Br)cc1[C@@H](C)[NH2+][C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000623879090 565534152 /nfs/dbraw/zinc/53/41/52/565534152.db2.gz XRMXGQYHRXUUCE-TZMCWYRMSA-N 1 0 375.332 2.832 20 0 GFADRO O=S1(=O)CCC(O)(C[NH2+][C@H]2CCCC[C@@H]2Sc2ccc(F)cc2)CC1 ZINC000623897598 565535462 /nfs/dbraw/zinc/53/54/62/565535462.db2.gz PQZHMHYUGZRZGT-IRXDYDNUSA-N 1 0 387.542 2.758 20 0 GFADRO C[C@@H]1CCC[N@H+](CCNC(=O)[C@@H]2CCO[C@H]2c2cncc(Br)c2)C1 ZINC000666428158 565538234 /nfs/dbraw/zinc/53/82/34/565538234.db2.gz JULUJZMJHPHCPV-XYPHTWIQSA-N 1 0 396.329 2.770 20 0 GFADRO COc1cccc([C@@H](C[NH2+][C@H](C)Cn2cc(Br)ccc2=O)OC)c1 ZINC000624032679 565540276 /nfs/dbraw/zinc/54/02/76/565540276.db2.gz VNXBGDFGWCZSOD-CXAGYDPISA-N 1 0 395.297 2.985 20 0 GFADRO Cc1cccc2c1C[C@H]([NH2+][C@H](C)Cn1cc(Br)ccc1=O)CO2 ZINC000624070754 565541538 /nfs/dbraw/zinc/54/15/38/565541538.db2.gz PAVTVADPJYXIJR-HIFRSBDPSA-N 1 0 377.282 2.901 20 0 GFADRO CCN(C(=O)Nc1ccc(I)cc1F)[C@@H]1CC[N@H+](C)C1 ZINC000597020153 565547447 /nfs/dbraw/zinc/54/74/47/565547447.db2.gz GCAJYGRGXMWGTF-LLVKDONJSA-N 1 0 391.228 2.988 20 0 GFADRO COC(=O)c1ccc(C[NH2+]Cc2ccccc2CS(C)(=O)=O)cc1Cl ZINC000597060122 565550375 /nfs/dbraw/zinc/55/03/75/565550375.db2.gz PLAJXNUDDLVNBQ-UHFFFAOYSA-N 1 0 381.881 2.961 20 0 GFADRO Cc1cc(Br)c(F)cc1S(=O)(=O)N1CCC(CC[NH3+])CC1 ZINC000624374248 565553697 /nfs/dbraw/zinc/55/36/97/565553697.db2.gz MQORQABDPQMINZ-UHFFFAOYSA-N 1 0 379.295 2.646 20 0 GFADRO O=S(=O)(N[C@@H]1CC[NH2+]C12CCC2)c1cc(Cl)ccc1OC(F)(F)F ZINC000624379620 565553787 /nfs/dbraw/zinc/55/37/87/565553787.db2.gz ZVVWGEFOVRHXRV-GFCCVEGCSA-N 1 0 384.807 2.802 20 0 GFADRO Cc1cc(Br)c(F)cc1S(=O)(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000624370859 565553854 /nfs/dbraw/zinc/55/38/54/565553854.db2.gz YZIOAQBFZRZOFR-KOLCDFICSA-N 1 0 379.295 2.502 20 0 GFADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)c3ccc(Br)c(F)c3C)C2)CC1 ZINC000597166306 565554339 /nfs/dbraw/zinc/55/43/39/565554339.db2.gz OBYXQOGQARMSDT-CQSZACIVSA-N 1 0 398.320 2.749 20 0 GFADRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC[C@@H]1C(F)(F)F ZINC000624389973 565554670 /nfs/dbraw/zinc/55/46/70/565554670.db2.gz QTYZKBJPQBDWFE-SKDRFNHKSA-N 1 0 390.349 2.853 20 0 GFADRO COc1cc(Br)c(S(=O)(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)cc1Cl ZINC000624405823 565555500 /nfs/dbraw/zinc/55/55/00/565555500.db2.gz QVMHPXAXBQDEOY-DTWKUNHWSA-N 1 0 397.722 2.530 20 0 GFADRO CC[C@@H]1[NH2+]CC[C@H]1NS(=O)(=O)Cc1ccc(Cl)cc1Br ZINC000624394938 565555890 /nfs/dbraw/zinc/55/58/90/565555890.db2.gz XXJKINVUPTXHPJ-QWHCGFSZSA-N 1 0 381.723 2.662 20 0 GFADRO CCOC(=O)[C@@]1(C)CCC[C@H]1[NH2+]Cc1ncc(I)s1 ZINC000597243127 565556777 /nfs/dbraw/zinc/55/67/77/565556777.db2.gz YSXIDZDIBGJAHB-RNCFNFMXSA-N 1 0 394.278 2.959 20 0 GFADRO CC(C)[NH2+][C@H]1CCCN(C(=O)CCNC(=O)c2ccc(Br)cc2)C1 ZINC000624567860 565563586 /nfs/dbraw/zinc/56/35/86/565563586.db2.gz GBVYELRJMRJQOK-INIZCTEOSA-N 1 0 396.329 2.558 20 0 GFADRO Cc1cc(NC(=O)C(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)ccc1Br ZINC000645819997 565564822 /nfs/dbraw/zinc/56/48/22/565564822.db2.gz CWEQSOBBULZYMT-GOSISDBHSA-N 1 0 394.313 2.640 20 0 GFADRO O=C(NCC12CCC[NH+]1CCC2)c1ccc(I)cc1F ZINC000597588574 565566532 /nfs/dbraw/zinc/56/65/32/565566532.db2.gz LSLGXLLDUOAOEV-UHFFFAOYSA-N 1 0 388.224 2.789 20 0 GFADRO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)C1(c2ccc(I)cc2)CC1 ZINC000597702247 565570615 /nfs/dbraw/zinc/57/06/15/565570615.db2.gz ZQGMUSSBCXWHGQ-IUODEOHRSA-N 1 0 398.288 2.874 20 0 GFADRO O=C(Nc1nc(CC(F)(F)F)cs1)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000667157945 565573240 /nfs/dbraw/zinc/57/32/40/565573240.db2.gz MAOYWXXAZMQPMA-LBPRGKRZSA-N 1 0 378.420 2.623 20 0 GFADRO COCC[NH+]1CCC(NC(=O)C(C)(C)Oc2ccc(Br)cc2)CC1 ZINC000667225575 565577881 /nfs/dbraw/zinc/57/78/81/565577881.db2.gz JULVSTOHVVTIJZ-UHFFFAOYSA-N 1 0 399.329 2.834 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)c2ccc(I)cn2)C1 ZINC000597859902 565578380 /nfs/dbraw/zinc/57/83/80/565578380.db2.gz HUAVMQKVYBVSIF-LLVKDONJSA-N 1 0 387.265 2.536 20 0 GFADRO COCCOc1c(Cl)cc(NC(=O)N2CCO[C@@H]([C@H](C)[NH3+])C2)cc1Cl ZINC000667318801 565581309 /nfs/dbraw/zinc/58/13/09/565581309.db2.gz YITFREDGAXQVTJ-IINYFYTJSA-N 1 0 392.283 2.599 20 0 GFADRO Cc1nccnc1C(=O)Nc1cc(Br)ccc1N1CC[NH+](C)CC1 ZINC000667350792 565582194 /nfs/dbraw/zinc/58/21/94/565582194.db2.gz SUXVFVNRVPMRKI-UHFFFAOYSA-N 1 0 390.285 2.552 20 0 GFADRO C[NH+]1CCN(c2ccc(Br)cc2NC(=O)c2ncccc2F)CC1 ZINC000667350855 565582537 /nfs/dbraw/zinc/58/25/37/565582537.db2.gz VNPORTFPZDJOLJ-UHFFFAOYSA-N 1 0 393.260 2.987 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)Cc2ccc(I)cc2)C1 ZINC000597924397 565582716 /nfs/dbraw/zinc/58/27/16/565582716.db2.gz QSOZLWUEBPBDAR-AWEZNQCLSA-N 1 0 386.277 2.823 20 0 GFADRO COCCOc1ccc(Br)cc1NC(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000667339132 565582655 /nfs/dbraw/zinc/58/26/55/565582655.db2.gz ZSICEVVHMQCXBU-CYBMUJFWSA-N 1 0 386.290 2.738 20 0 GFADRO CCO[C@H](CS(=O)(=O)NCC1CC[NH+](Cc2cccs2)CC1)C1CC1 ZINC000624939120 565583469 /nfs/dbraw/zinc/58/34/69/565583469.db2.gz FRGWWWPSWMEATL-GOSISDBHSA-N 1 0 386.583 2.695 20 0 GFADRO Cc1cc(Br)c(F)cc1S(=O)(=O)N(C)CC[NH+]1CCCC1 ZINC000624951517 565584828 /nfs/dbraw/zinc/58/48/28/565584828.db2.gz AVDCEJHGAZWFQN-UHFFFAOYSA-N 1 0 379.295 2.613 20 0 GFADRO CC[C@H](C)[N@H+](C)CCNS(=O)(=O)c1c(OC)cccc1OC(F)(F)F ZINC000624954975 565584885 /nfs/dbraw/zinc/58/48/85/565584885.db2.gz AGHVOBOLLAYUEM-NSHDSACASA-N 1 0 384.420 2.602 20 0 GFADRO C[C@H](Oc1ccc(I)cc1)C(=O)NCC[C@H](C)[NH+](C)C ZINC000597992848 565587303 /nfs/dbraw/zinc/58/73/03/565587303.db2.gz NXCLPQNBVLBGMP-RYUDHWBXSA-N 1 0 390.265 2.515 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)Nc2ccnn2-c2ccc(Br)cn2)C1 ZINC000667517428 565592099 /nfs/dbraw/zinc/59/20/99/565592099.db2.gz IBZSBGIJTKYISW-VXGBXAGGSA-N 1 0 393.289 2.621 20 0 GFADRO CC(C)c1cc(Br)ccc1NC(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000667536539 565593785 /nfs/dbraw/zinc/59/37/85/565593785.db2.gz CBSPABBIOVLKLA-BLLLJJGKSA-N 1 0 394.313 2.721 20 0 GFADRO CC(C)Sc1c(Cl)cccc1NC(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000667540628 565593810 /nfs/dbraw/zinc/59/38/10/565593810.db2.gz PGJUMFOPBKNCII-WFASDCNBSA-N 1 0 381.929 2.989 20 0 GFADRO CC[C@@H]1CN(C(=O)C(=O)Nc2ccc(C(F)(F)F)cc2Cl)CC[C@@H]1[NH3+] ZINC000667552178 565594937 /nfs/dbraw/zinc/59/49/37/565594937.db2.gz UENGDDYKFRNIHF-SKDRFNHKSA-N 1 0 377.794 2.883 20 0 GFADRO CC[C@@H]1CN(C(=O)Nc2ccc3nccnc3c2Br)CC[C@H]1[NH3+] ZINC000667590693 565595744 /nfs/dbraw/zinc/59/57/44/565595744.db2.gz MTYVIGAGBPSAMV-GHMZBOCLSA-N 1 0 378.274 2.983 20 0 GFADRO C[C@@H]1COCC[N@@H+]1C1CCN(C(=O)c2cc(F)ccc2Br)CC1 ZINC000646316395 565596381 /nfs/dbraw/zinc/59/63/81/565596381.db2.gz VTCQQHGEUACYOW-GFCCVEGCSA-N 1 0 385.277 2.914 20 0 GFADRO C[C@H](CCCC[NH3+])NC(=O)C(=O)Nc1cc(Br)c(F)cc1Cl ZINC000667624498 565598255 /nfs/dbraw/zinc/59/82/55/565598255.db2.gz AIRIRLMORYSIKX-MRVPVSSYSA-N 1 0 394.672 2.814 20 0 GFADRO NC(=O)CC[C@H]1CCC[N@@H+]([C@H]2CCc3cc(Br)ccc3NC2=O)C1 ZINC000625130892 565600898 /nfs/dbraw/zinc/60/08/98/565600898.db2.gz JWUJFANOFGNLJC-WBMJQRKESA-N 1 0 394.313 2.680 20 0 GFADRO C[C@H](Cc1ccc(Br)cc1)C(=O)N1CCOC[C@H]1[C@H]1CCC[N@@H+]1C ZINC000646454217 565603180 /nfs/dbraw/zinc/60/31/80/565603180.db2.gz BGURPLSRAOIPQY-OLMNPRSZSA-N 1 0 395.341 2.949 20 0 GFADRO O=C(Nc1cccc2c1CC[NH2+]C2)N[C@H](CO)c1ccc(Br)cc1 ZINC000667749257 565604172 /nfs/dbraw/zinc/60/41/72/565604172.db2.gz COCNNZBOCJUOFZ-QGZVFWFLSA-N 1 0 390.281 2.950 20 0 GFADRO CCc1cc(Br)cc2sc(NC(=O)C[C@@H]3COCC[NH2+]3)nc21 ZINC000646494797 565605476 /nfs/dbraw/zinc/60/54/76/565605476.db2.gz UBAIHQWJWPNDRR-LLVKDONJSA-N 1 0 384.299 2.938 20 0 GFADRO CC[NH+](CC)C[C@H](C)NC(=O)N1CCC(n2cc(Br)cn2)CC1 ZINC000598266972 565605647 /nfs/dbraw/zinc/60/56/47/565605647.db2.gz HNLVZPVKRUYWCR-ZDUSSCGKSA-N 1 0 386.338 2.722 20 0 GFADRO COCC[N@@H+]1CC[C@@H](NC(=O)Nc2cnc(-c3ccc(Cl)s3)nc2)C1 ZINC000646543754 565607094 /nfs/dbraw/zinc/60/70/94/565607094.db2.gz IQZQGZDYQUIYEX-LLVKDONJSA-N 1 0 381.889 2.701 20 0 GFADRO O=C(N[C@H]1COc2cc(F)c(Br)cc21)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000646558760 565609389 /nfs/dbraw/zinc/60/93/89/565609389.db2.gz FZDQJUVCJXDMMH-RWSFTLGLSA-N 1 0 383.261 2.774 20 0 GFADRO COCC[N@@H+]1CC[C@@H](NC(=O)Nc2ccc(Br)c3ncccc23)C1 ZINC000667867879 565610644 /nfs/dbraw/zinc/61/06/44/565610644.db2.gz MAFXQDZMEBVGOF-GFCCVEGCSA-N 1 0 393.285 2.840 20 0 GFADRO O=C(NC[C@H]1CCCC[NH2+]1)[C@@H](c1ccc(Br)cc1)N1CCCC1 ZINC000646652607 565612060 /nfs/dbraw/zinc/61/20/60/565612060.db2.gz UBTPKNHNWZUSSB-IAGOWNOFSA-N 1 0 380.330 2.844 20 0 GFADRO CN(C[C@H](O)C(F)(F)F)[C@H]1CCc2cc(Br)ccc2NC1=O ZINC000625281830 565616178 /nfs/dbraw/zinc/61/61/78/565616178.db2.gz PEVYOAICPYSAEP-RYUDHWBXSA-N 1 0 381.192 2.557 20 0 GFADRO CCCN(C(=O)C(=O)Nc1cc(Cl)c(OC)c(Cl)c1)[C@@H]1CC[N@H+](C)C1 ZINC000646766796 565617342 /nfs/dbraw/zinc/61/73/42/565617342.db2.gz BZTSOZMEFOHGSX-GFCCVEGCSA-N 1 0 388.295 2.883 20 0 GFADRO CC(C)OC[C@@H]1CN([C@@H]2CCc3cc(Br)ccc3NC2=O)CCO1 ZINC000625330608 565620540 /nfs/dbraw/zinc/62/05/40/565620540.db2.gz PIWBHBZQSGWJIO-DOTOQJQBSA-N 1 0 397.313 2.828 20 0 GFADRO Cc1cc(C(=O)N2CCO[C@@H]([C@H](C)[NH3+])C2)nn1-c1ccc(Cl)cc1Cl ZINC000646844470 565622204 /nfs/dbraw/zinc/62/22/04/565622204.db2.gz UZBYVYANLRALGY-MEDUHNTESA-N 1 0 383.279 2.676 20 0 GFADRO Cc1c(Br)c2ccccc2n1CC(=O)N1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC000646917888 565625646 /nfs/dbraw/zinc/62/56/46/565625646.db2.gz JLNYGBROTIEWGW-BBRMVZONSA-N 1 0 376.298 2.875 20 0 GFADRO C[N@@H+]1C[C@H]2CCN(C(=O)c3nn(-c4ccc(F)cc4)cc3Br)[C@@H]2C1 ZINC000646927590 565626632 /nfs/dbraw/zinc/62/66/32/565626632.db2.gz NXYBEMICERXYEU-IAQYHMDHSA-N 1 0 393.260 2.550 20 0 GFADRO Cc1cc(Br)ccc1S(=O)(=O)NC[C@H]1CCCC[N@@H+](C)C1 ZINC000625419947 565628315 /nfs/dbraw/zinc/62/83/15/565628315.db2.gz BJMHJLBTNSLHDQ-CYBMUJFWSA-N 1 0 375.332 2.768 20 0 GFADRO Cc1cc(Br)cc(S(=O)(=O)NC[C@H]2CCCC[N@@H+](C)C2)c1 ZINC000625422246 565629933 /nfs/dbraw/zinc/62/99/33/565629933.db2.gz POYHZQVBTPXSBJ-CYBMUJFWSA-N 1 0 375.332 2.768 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000646988215 565631041 /nfs/dbraw/zinc/63/10/41/565631041.db2.gz JOEGPCSOLLXPIE-CQSZACIVSA-N 1 0 377.286 2.815 20 0 GFADRO CC[C@H]1CN(C(=O)c2cnn(-c3ccc(Br)cc3)c2)CC[C@@H]1[NH3+] ZINC000647010552 565632185 /nfs/dbraw/zinc/63/21/85/565632185.db2.gz SQGYPEDKNQYSSO-LRDDRELGSA-N 1 0 377.286 2.834 20 0 GFADRO CC[C@@H]1CN(C(=O)c2nnn(-c3cccc(Br)c3)c2C)CC[C@@H]1[NH3+] ZINC000647009362 565632372 /nfs/dbraw/zinc/63/23/72/565632372.db2.gz BUMXLQYVRKNHLY-DOMZBBRYSA-N 1 0 392.301 2.538 20 0 GFADRO O=C(N[C@@H]1CCN(c2ccc(Br)cc2)C1)[C@H]1CCc2nc[nH]c2C1 ZINC000668190059 565632700 /nfs/dbraw/zinc/63/27/00/565632700.db2.gz YGMMYXHKHFKNQX-GXTWGEPZSA-N 1 0 389.297 2.672 20 0 GFADRO COc1ccc(C[C@H](CO)C[NH2+][C@H]2CO[C@@H](C3CC3)C2)cc1Br ZINC000668224279 565633347 /nfs/dbraw/zinc/63/33/47/565633347.db2.gz IYRPZHMLZMDKRM-JCKWVBRZSA-N 1 0 384.314 2.766 20 0 GFADRO CC[C@H]([NH3+])CNC(=O)c1nn(-c2ccc(Br)cc2)c2c1CCCC2 ZINC000647069352 565635650 /nfs/dbraw/zinc/63/56/50/565635650.db2.gz YPMVWOJJNVHBSG-ZDUSSCGKSA-N 1 0 391.313 2.981 20 0 GFADRO Brc1cc2c(cc1CN1CCC([NH+]3CCOCC3)CC1)OCCO2 ZINC000625552855 565639325 /nfs/dbraw/zinc/63/93/25/565639325.db2.gz ACKUYQAWSOIQAC-UHFFFAOYSA-N 1 0 397.313 2.517 20 0 GFADRO C[NH2+][C@@H](C)Cc1noc([C@@H](c2cc(Cl)cc(Cl)c2)N2CCOCC2)n1 ZINC000647143292 565641355 /nfs/dbraw/zinc/64/13/55/565641355.db2.gz PNJNXQVDKKUIQX-MEDUHNTESA-N 1 0 385.295 2.948 20 0 GFADRO C[NH2+][C@@H](C)Cc1noc([C@H](c2cc(Cl)cc(Cl)c2)N2CCOCC2)n1 ZINC000647143293 565641701 /nfs/dbraw/zinc/64/17/01/565641701.db2.gz PNJNXQVDKKUIQX-ZBEGNZNMSA-N 1 0 385.295 2.948 20 0 GFADRO C[C@@H](NC(=O)C(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C)c1ccc(Br)cc1 ZINC000668365085 565641802 /nfs/dbraw/zinc/64/18/02/565641802.db2.gz BLDJHNAKYMWORB-DOMZBBRYSA-N 1 0 396.329 2.615 20 0 GFADRO O=C1C[C@H](c2nc([C@@H]3CCC[NH2+]3)no2)CN1c1cccc(Br)c1 ZINC000647152435 565641977 /nfs/dbraw/zinc/64/19/77/565641977.db2.gz FNRNITJOQUTJHW-GWCFXTLKSA-N 1 0 377.242 2.777 20 0 GFADRO [NH3+]CC1CCN(S(=O)(=O)Cc2ccc(Br)cc2Cl)CC1 ZINC000647188475 565643943 /nfs/dbraw/zinc/64/39/43/565643943.db2.gz QJRNVOXSNIBTSE-UHFFFAOYSA-N 1 0 381.723 2.603 20 0 GFADRO O=S(=O)(NCC[NH2+]C1CC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000647209868 565645532 /nfs/dbraw/zinc/64/55/32/565645532.db2.gz QVBOUFNKKSCJCJ-UHFFFAOYSA-N 1 0 376.322 2.755 20 0 GFADRO O=C(c1cc(Br)cc2c1OCCO2)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000668422510 565646279 /nfs/dbraw/zinc/64/62/79/565646279.db2.gz BFQPNWIIRRHHTO-AWEZNQCLSA-N 1 0 395.297 2.921 20 0 GFADRO C[C@@H]([NH3+])C1CCN(S(=O)(=O)Cc2cc(Cl)ccc2Br)CC1 ZINC000647211174 565646451 /nfs/dbraw/zinc/64/64/51/565646451.db2.gz YCBHAPRGOOIRHB-SNVBAGLBSA-N 1 0 395.750 2.992 20 0 GFADRO O=S(=O)(Cc1cccc(Br)c1)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647238909 565648165 /nfs/dbraw/zinc/64/81/65/565648165.db2.gz YDEDBTCAHBLXIW-GOEBONIOSA-N 1 0 387.343 2.743 20 0 GFADRO COc1ccc2oc(CN3C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C3)cc2c1 ZINC000668469516 565648489 /nfs/dbraw/zinc/64/84/89/565648489.db2.gz IKNIFKQUDPVZQE-ZFWWWQNUSA-N 1 0 377.384 2.849 20 0 GFADRO O=S(=O)(Cc1cccc(Br)c1)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647238910 565648718 /nfs/dbraw/zinc/64/87/18/565648718.db2.gz YDEDBTCAHBLXIW-HOCLYGCPSA-N 1 0 387.343 2.743 20 0 GFADRO CC[NH+](CC)[C@H](CNC(=O)C(=O)N[C@H](C)c1cscn1)c1ccsc1 ZINC000668491464 565650122 /nfs/dbraw/zinc/65/01/22/565650122.db2.gz LWZTYZUVHNTLLM-IUODEOHRSA-N 1 0 380.539 2.581 20 0 GFADRO COc1cc(C[NH2+][C@H]2C[C@H](OC)C2)cc(I)c1OC ZINC000599013913 565653997 /nfs/dbraw/zinc/65/39/97/565653997.db2.gz AYQYXMZHZIUEKF-XYPYZODXSA-N 1 0 377.222 2.575 20 0 GFADRO COc1ccc(Br)c(S(=O)(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)c1 ZINC000647299051 565655183 /nfs/dbraw/zinc/65/51/83/565655183.db2.gz WNZTZJWEAZQATE-HAQNSBGRSA-N 1 0 391.331 2.501 20 0 GFADRO C[C@H](CCc1ccc(I)cc1)[NH2+]C[C@@H](O)[C@@H]1CCCO1 ZINC000599065444 565655535 /nfs/dbraw/zinc/65/55/35/565655535.db2.gz LKUXFNXTDHJMMS-WQVCFCJDSA-N 1 0 389.277 2.742 20 0 GFADRO CCOc1cc(C[NH2+][C@H]2CC[C@H](C)S(=O)(=O)C2)cc(Br)c1O ZINC000668561589 565655869 /nfs/dbraw/zinc/65/58/69/565655869.db2.gz KFZHRCRMKYSBKS-JQWIXIFHSA-N 1 0 392.315 2.609 20 0 GFADRO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]C[C@H]2CSc3ccccc3O2)cc1 ZINC000647314039 565656539 /nfs/dbraw/zinc/65/65/39/565656539.db2.gz INCCNBMJINRUGK-HIFRSBDPSA-N 1 0 378.519 2.799 20 0 GFADRO O=C(N[C@H]1CCN(c2ccccc2Br)C1)[C@H]1CCc2nc[nH]c2C1 ZINC000668599192 565656583 /nfs/dbraw/zinc/65/65/83/565656583.db2.gz SMCFQIRXHTXABE-STQMWFEESA-N 1 0 389.297 2.672 20 0 GFADRO CN(Cc1cn(C)nn1)Cc1cc(Br)cc(Br)c1N ZINC000668604698 565657269 /nfs/dbraw/zinc/65/72/69/565657269.db2.gz ZSBKLBHLOBAZLS-UHFFFAOYSA-N 1 0 389.095 2.554 20 0 GFADRO Cc1sc(Br)cc1S(=O)(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000647323111 565657578 /nfs/dbraw/zinc/65/75/78/565657578.db2.gz IVAKDPMUIHYEEV-RYUDHWBXSA-N 1 0 393.372 2.829 20 0 GFADRO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CC(C)(C)[C@]1(O)CCOC1 ZINC000647339379 565658343 /nfs/dbraw/zinc/65/83/43/565658343.db2.gz QPZVOQLWVZXWPN-ACJLOTCBSA-N 1 0 399.329 2.933 20 0 GFADRO C[C@H]1CCCN(C(=O)C[NH2+][C@]2(CO)CCc3cc(Br)ccc3C2)C1 ZINC000625794433 565659279 /nfs/dbraw/zinc/65/92/79/565659279.db2.gz JGQPQKCNEGSWOP-IFXJQAMLSA-N 1 0 395.341 2.517 20 0 GFADRO OC[C@]1([NH2+]CCn2cc(Cl)cn2)CCc2cc(Br)ccc2C1 ZINC000625797767 565660751 /nfs/dbraw/zinc/66/07/51/565660751.db2.gz ZHJSDZJFJCWMKD-INIZCTEOSA-N 1 0 384.705 2.809 20 0 GFADRO COc1ncccc1C[NH2+][C@@]1(CO)CCc2cc(Br)ccc2C1 ZINC000625796947 565660978 /nfs/dbraw/zinc/66/09/78/565660978.db2.gz OCSGXHVDOGVXFM-SFHVURJKSA-N 1 0 377.282 2.862 20 0 GFADRO CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N[C@@H]2CCSc3ccc(Cl)cc32)C1 ZINC000668706960 565662130 /nfs/dbraw/zinc/66/21/30/565662130.db2.gz AAVXXQHDEIVWIS-UKRRQHHQSA-N 1 0 381.929 2.594 20 0 GFADRO CC[C@@H](C)C[C@@H](CO)[NH2+]CCS(=O)(=O)c1cccc(Br)c1 ZINC000647524893 565662389 /nfs/dbraw/zinc/66/23/89/565662389.db2.gz KMYIUXAJNFNLCU-OCCSQVGLSA-N 1 0 378.332 2.610 20 0 GFADRO OCc1ccc(C[NH2+]C[C@H](O)COc2cc(F)cc(Br)c2)cc1 ZINC000647523111 565662489 /nfs/dbraw/zinc/66/24/89/565662489.db2.gz SEMOMPJCWPQCTL-INIZCTEOSA-N 1 0 384.245 2.610 20 0 GFADRO C[C@H]1C[N@H+](Cc2ccc(Br)cc2N2CCOCC2)C[C@]1(C)CO ZINC000668737291 565665145 /nfs/dbraw/zinc/66/51/45/565665145.db2.gz OQKDYNQTOVKAMX-KBXCAEBGSA-N 1 0 383.330 2.736 20 0 GFADRO CC1CC[NH+](C[C@H](O)CNC(=O)[C@H]2C[C@H]2c2ccc(Br)cc2)CC1 ZINC000599275640 565666682 /nfs/dbraw/zinc/66/66/82/565666682.db2.gz ZIQXGXBGQDFRRP-SQNIBIBYSA-N 1 0 395.341 2.762 20 0 GFADRO O=C(Cc1ccc(Br)cc1F)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000668913820 565670426 /nfs/dbraw/zinc/67/04/26/565670426.db2.gz JRIPKXYKOWUBIT-ZDUSSCGKSA-N 1 0 399.304 2.748 20 0 GFADRO Cc1nnc(C(=O)NC2CC[NH+](CCOc3ccc(Cl)cc3)CC2)s1 ZINC000668910631 565670534 /nfs/dbraw/zinc/67/05/34/565670534.db2.gz KJLBSKAVLIQVDK-UHFFFAOYSA-N 1 0 380.901 2.773 20 0 GFADRO Cc1cc(Br)ccc1[C@H]1CCC[N@H+]1CCN1C(=O)N[C@H](C)C1=O ZINC000626010563 565670706 /nfs/dbraw/zinc/67/07/06/565670706.db2.gz WKESRXVKVIDENH-IUODEOHRSA-N 1 0 380.286 2.835 20 0 GFADRO C[C@H]1C[C@@H](c2ccc(Br)cc2)C[N@@H+]1CCCN1C(=O)CNC1=O ZINC000626040202 565672648 /nfs/dbraw/zinc/67/26/48/565672648.db2.gz ZCJNKEUVWJWCTD-GXTWGEPZSA-N 1 0 380.286 2.569 20 0 GFADRO O=C(NCc1c[nH]cn1)[C@H](NCC(F)(F)F)c1cc(Br)cs1 ZINC000668996183 565673993 /nfs/dbraw/zinc/67/39/93/565673993.db2.gz WCJOKQVPMFFUHP-SNVBAGLBSA-N 1 0 397.220 2.743 20 0 GFADRO COc1cc(Br)ccc1C(=O)N1CCC([N@@H+]2CCOC[C@H]2C)CC1 ZINC000647765242 565675784 /nfs/dbraw/zinc/67/57/84/565675784.db2.gz JRWXYJXWWGPNIM-CYBMUJFWSA-N 1 0 397.313 2.783 20 0 GFADRO O=C(c1cc(Br)cc2c1OCCO2)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000669045302 565676012 /nfs/dbraw/zinc/67/60/12/565676012.db2.gz ORDKQUDJSBINAG-CYBMUJFWSA-N 1 0 395.297 2.778 20 0 GFADRO Cc1nccn1CCCCNC(=O)C(=O)NCc1ccc(Cl)c(Cl)c1 ZINC000669092210 565677147 /nfs/dbraw/zinc/67/71/47/565677147.db2.gz YUKLODMBFFRFTD-UHFFFAOYSA-N 1 0 383.279 2.711 20 0 GFADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)Nc1ccccc1SCC(F)(F)F ZINC000599417928 565678363 /nfs/dbraw/zinc/67/83/63/565678363.db2.gz CHPFOXIUXOJVAE-GFCCVEGCSA-N 1 0 376.448 2.708 20 0 GFADRO C[C@H]1C[C@@H](N(C)C(=O)c2cc(Br)cc3c2OCCO3)CC[N@@H+]1C ZINC000669125232 565678344 /nfs/dbraw/zinc/67/83/44/565678344.db2.gz CZNAKQGYYRMLEB-AAEUAGOBSA-N 1 0 383.286 2.775 20 0 GFADRO C[N@@H+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)CCc1cccc(Br)c1 ZINC000647824025 565679261 /nfs/dbraw/zinc/67/92/61/565679261.db2.gz RIQZHDZIJWHCRX-SJORKVTESA-N 1 0 381.314 2.703 20 0 GFADRO C[NH+](C)CC1(CNC(=O)C(=O)NCc2ccc(Cl)c(Cl)c2)CCCC1 ZINC000669232554 565682017 /nfs/dbraw/zinc/68/20/17/565682017.db2.gz OYUSTKAWIIVCQA-UHFFFAOYSA-N 1 0 386.323 2.848 20 0 GFADRO O=C(NCCCC[N@H+]1CCC[C@H]1CO)c1ccc(Br)c(F)c1F ZINC000626201861 565682845 /nfs/dbraw/zinc/68/28/45/565682845.db2.gz ZXJIYEGPPUIBAP-NSHDSACASA-N 1 0 391.256 2.694 20 0 GFADRO C[NH2+]C[C@@H]1C[C@H](F)CN1Cc1nc(-c2ccc(Br)s2)no1 ZINC000647959602 565685286 /nfs/dbraw/zinc/68/52/86/565685286.db2.gz ZVFPLSBKXVEWDS-IUCAKERBSA-N 1 0 375.267 2.692 20 0 GFADRO C[C@@]1(F)C[NH2+]CCN(CC(=O)Nc2ccc(Br)cc2Cl)C1 ZINC000647981808 565686499 /nfs/dbraw/zinc/68/64/99/565686499.db2.gz FTTKVRMDJDZGGI-CQSZACIVSA-N 1 0 378.673 2.674 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CN(C(=O)NCC2(c3cccc(Br)c3)CCC2)CCO1 ZINC000669403506 565686727 /nfs/dbraw/zinc/68/67/27/565686727.db2.gz ZEPLAWKRLMOENY-BBRMVZONSA-N 1 0 396.329 2.628 20 0 GFADRO C[C@H](CCc1ccc(Br)cc1)NC(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000669405230 565686968 /nfs/dbraw/zinc/68/69/68/565686968.db2.gz DRJCWGUFPUDLGE-DVOMOZLQSA-N 1 0 384.318 2.528 20 0 GFADRO O=C(N[C@H]1CCOc2ccc(Br)cc21)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000669406793 565687879 /nfs/dbraw/zinc/68/78/79/565687879.db2.gz NNYMLJVDMQHITF-IPYPFGDCSA-N 1 0 380.286 2.809 20 0 GFADRO O=C(Nc1ncc(Cc2cccc(Br)c2)s1)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000648021788 565688778 /nfs/dbraw/zinc/68/87/78/565688778.db2.gz KRGDXVCMXHHAKP-WDNDVIMCSA-N 1 0 378.295 2.900 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000669431777 565689302 /nfs/dbraw/zinc/68/93/02/565689302.db2.gz YOLCRQKRAVYNAX-AWEZNQCLSA-N 1 0 397.317 2.527 20 0 GFADRO CC[C@@H]1CN(C(=O)NC[C@H](C)Oc2cccc(Br)c2)CC[C@H]1[NH3+] ZINC000669505902 565691053 /nfs/dbraw/zinc/69/10/53/565691053.db2.gz QXWLNMLPWSUJLD-WOSRLPQWSA-N 1 0 384.318 2.985 20 0 GFADRO [NH3+]C1CCC(OCC(=O)N2CCc3c(F)cc(Br)cc3C2)CC1 ZINC000648102103 565691158 /nfs/dbraw/zinc/69/11/58/565691158.db2.gz URYSJOTVGAQLRE-UHFFFAOYSA-N 1 0 385.277 2.759 20 0 GFADRO C[C@@H](CNC(=O)C1([NH3+])Cc2ccccc2C1)Oc1ccc(Br)cc1 ZINC000648093085 565691164 /nfs/dbraw/zinc/69/11/64/565691164.db2.gz YZTBBPWMODBPQY-ZDUSSCGKSA-N 1 0 389.293 2.829 20 0 GFADRO C[C@](Cc1cccc(Br)c1)(NC(=O)COCC[NH3+])c1ccccc1 ZINC000648092112 565691175 /nfs/dbraw/zinc/69/11/75/565691175.db2.gz FXRVCMPRBDIFIO-LJQANCHMSA-N 1 0 391.309 2.999 20 0 GFADRO CC[C@@H]1CN(C(=O)C[C@@H](NC(C)=O)c2ccc(Br)cc2)CC[C@@H]1[NH3+] ZINC000648125075 565691263 /nfs/dbraw/zinc/69/12/63/565691263.db2.gz IUKBVEYFFPDEON-XOKHGSTOSA-N 1 0 396.329 2.602 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CN(C(=O)NCCOc2c(Cl)cc(Cl)cc2Cl)CCO1 ZINC000669522037 565691598 /nfs/dbraw/zinc/69/15/98/565691598.db2.gz GUOGKHBHIHNHNT-NOZJJQNGSA-N 1 0 396.702 2.783 20 0 GFADRO COC(=O)[C@]1(NCC[C@H]2CCC[N@@H+]2C)CCc2cc(Br)ccc2C1 ZINC000599595747 565691821 /nfs/dbraw/zinc/69/18/21/565691821.db2.gz XNJMCRPUIGLCJR-MJGOQNOKSA-N 1 0 395.341 2.924 20 0 GFADRO C[C@]1(C(=O)NCc2nc(-c3cccc(Br)c3)no2)CCC[NH2+]C1 ZINC000648174395 565692080 /nfs/dbraw/zinc/69/20/80/565692080.db2.gz OOGFOYAGVAJKGS-INIZCTEOSA-N 1 0 379.258 2.505 20 0 GFADRO CN1CC[C@H](NC(=O)[C@H]2C[NH2+]CCC2(F)F)[C@H]1c1ccc(Cl)c(F)c1 ZINC000648162084 565692138 /nfs/dbraw/zinc/69/21/38/565692138.db2.gz IGWCWZLECCLWAB-BYCMXARLSA-N 1 0 375.822 2.585 20 0 GFADRO C[C@H](Cc1ccc(F)c(Br)c1)NC(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000669535335 565692190 /nfs/dbraw/zinc/69/21/90/565692190.db2.gz COXFQADIDBVFOD-AXAPSJFSSA-N 1 0 384.293 2.913 20 0 GFADRO O=C(NCCOCc1ccc(Cl)cc1Cl)N[C@@H]1C[NH2+]CCC1(F)F ZINC000669552839 565692413 /nfs/dbraw/zinc/69/24/13/565692413.db2.gz WUNBIKGOHGGIKG-CYBMUJFWSA-N 1 0 382.238 2.806 20 0 GFADRO CN1CC[C@H](NC(=O)[C@@H]2C[NH2+]CCC2(F)F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000648162085 565692544 /nfs/dbraw/zinc/69/25/44/565692544.db2.gz IGWCWZLECCLWAB-CQDKDKBSSA-N 1 0 375.822 2.585 20 0 GFADRO O=C(N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000669574165 565693082 /nfs/dbraw/zinc/69/30/82/565693082.db2.gz ZPDARLSKACLOAT-SPGJAERMSA-N 1 0 382.277 2.838 20 0 GFADRO COC(=O)c1cc(NC(=O)N[C@H]2CC[NH2+]C23CCC3)ccc1Br ZINC000599610301 565693249 /nfs/dbraw/zinc/69/32/49/565693249.db2.gz GAAUVPCGXDSUEJ-ZDUSSCGKSA-N 1 0 382.258 2.642 20 0 GFADRO O=C(C[C@H]1Sc2ccc(Cl)cc2NC1=O)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000648182698 565693523 /nfs/dbraw/zinc/69/35/23/565693523.db2.gz OKQGITSHJHRCNQ-SWLSCSKDSA-N 1 0 379.913 2.934 20 0 GFADRO CCc1ccccc1[C@H]([NH3+])CNC(=O)N[C@H](C)c1ncc(Br)cn1 ZINC000669591171 565694202 /nfs/dbraw/zinc/69/42/02/565694202.db2.gz ZELXQZJBPNGJGO-IAQYHMDHSA-N 1 0 392.301 2.862 20 0 GFADRO O=C(NCCc1c[nH]c2cccc(Br)c12)N[C@H]1CCC[NH2+]CC1 ZINC000669588485 565694237 /nfs/dbraw/zinc/69/42/37/565694237.db2.gz MCXGRKUTTYSLEP-ZDUSSCGKSA-N 1 0 379.302 2.914 20 0 GFADRO Cc1cc(Br)cc(C)c1N1CCC[C@@H](NC(=O)NC/C=C\C[NH3+])C1 ZINC000669584754 565694353 /nfs/dbraw/zinc/69/43/53/565694353.db2.gz WNBOFDZVQRIWAY-MJSXRHKHSA-N 1 0 395.345 2.849 20 0 GFADRO CCSc1ccc(CC(=O)NCC[N@H+](CC)CCO)c(Br)c1 ZINC000626486297 565696035 /nfs/dbraw/zinc/69/60/35/565696035.db2.gz PONBQZJNFMUZEO-UHFFFAOYSA-N 1 0 389.359 2.534 20 0 GFADRO O=C(CCc1cccc(F)c1Br)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000648281150 565699603 /nfs/dbraw/zinc/69/96/03/565699603.db2.gz RPZSPFDOPBTAOE-HOTGVXAUSA-N 1 0 399.304 2.578 20 0 GFADRO Cn1nc2cc(Br)ccc2c1C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000648329260 565703877 /nfs/dbraw/zinc/70/38/77/565703877.db2.gz FZXKLGLSAVIGCW-LRDDRELGSA-N 1 0 391.313 2.892 20 0 GFADRO CN(C(=O)C1=Cc2cc(Br)ccc2OC1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000599870622 565704475 /nfs/dbraw/zinc/70/44/75/565704475.db2.gz UKLKHTVAZJWGHR-INIZCTEOSA-N 1 0 377.282 2.920 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)Nc2ccc(Cl)cc2Cl)CC[C@@H]1C(F)(F)F ZINC000626861171 565713578 /nfs/dbraw/zinc/71/35/78/565713578.db2.gz LMHNLXKPMABIAZ-SCZZXKLOSA-N 1 0 398.212 2.918 20 0 GFADRO C[C@H]1CC[C@H](NC(=O)C(=O)Nc2cccnc2-c2ccc(Cl)s2)C[NH2+]1 ZINC000626892910 565714194 /nfs/dbraw/zinc/71/41/94/565714194.db2.gz IZPKZDJSGPKIED-QWRGUYRKSA-N 1 0 378.885 2.659 20 0 GFADRO O=C1CCCN1C[C@H](O)C[NH2+][C@H]1CCCCc2cc(Br)ccc21 ZINC000670155063 565716167 /nfs/dbraw/zinc/71/61/67/565716167.db2.gz HKMBRTQDZYOZJY-WBVHZDCISA-N 1 0 381.314 2.790 20 0 GFADRO C[C@@H](C[NH2+]Cc1cnn(CC(F)(F)F)c1)c1ccc(S(C)(=O)=O)cc1 ZINC000648482718 565716438 /nfs/dbraw/zinc/71/64/38/565716438.db2.gz HYJKGKZGEMBJKH-LBPRGKRZSA-N 1 0 375.416 2.742 20 0 GFADRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NCCC(=O)Nc1cc(Br)ccc1C ZINC000626959962 565716686 /nfs/dbraw/zinc/71/66/86/565716686.db2.gz RGDWNMIDLPDLPN-UONOGXRCSA-N 1 0 397.317 2.526 20 0 GFADRO Fc1cc(Br)ccc1C1CC([NH2+]Cc2nnc3n2CCOC3)C1 ZINC000648556036 565718522 /nfs/dbraw/zinc/71/85/22/565718522.db2.gz BYPPYSJRESGATQ-UHFFFAOYSA-N 1 0 381.249 2.746 20 0 GFADRO CC1(C)Cc2c(cccc2Br)[C@@H]1NC(=O)NCC1([NH3+])CCOCC1 ZINC000627043867 565720739 /nfs/dbraw/zinc/72/07/39/565720739.db2.gz YYBQMDPLPKAPOZ-HNNXBMFYSA-N 1 0 396.329 2.880 20 0 GFADRO CC[C@H](COCC(F)(F)F)NC(=O)N1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000627048298 565721076 /nfs/dbraw/zinc/72/10/76/565721076.db2.gz XMZFCSSJPORLKU-HBNTYKKESA-N 1 0 379.345 2.513 20 0 GFADRO COCC[NH2+]CCNC(=O)N1CCC[C@@H]1c1ccc(Br)cc1C ZINC000627083646 565722073 /nfs/dbraw/zinc/72/20/73/565722073.db2.gz UQGRNUQZRYMIRG-MRXNPFEDSA-N 1 0 384.318 2.840 20 0 GFADRO COc1ncc(Br)cc1CNC(=O)N(CCC[NH3+])CC1CCCC1 ZINC000627156820 565723377 /nfs/dbraw/zinc/72/33/77/565723377.db2.gz INNPQHRPPUMPPY-UHFFFAOYSA-N 1 0 399.333 2.903 20 0 GFADRO CC[C@@H](Cc1ccccc1Br)N(C)C(=O)NCC1([NH3+])CCOCC1 ZINC000627150571 565723658 /nfs/dbraw/zinc/72/36/58/565723658.db2.gz ONJYJPBANRUVKQ-HNNXBMFYSA-N 1 0 398.345 2.920 20 0 GFADRO [NH3+]C[C@]12CCC[C@H]1CN(C(=O)NCc1cc(F)c(Br)cc1F)C2 ZINC000627181460 565724694 /nfs/dbraw/zinc/72/46/94/565724694.db2.gz UBIFXWMTEAUSLQ-ZBEGNZNMSA-N 1 0 388.256 2.998 20 0 GFADRO O=C(NCCCC[NH+]1CCOCC1)c1cc2c(cncc2Br)s1 ZINC000648737054 565724947 /nfs/dbraw/zinc/72/49/47/565724947.db2.gz VLRYDXOYLQYUFA-UHFFFAOYSA-N 1 0 398.326 2.901 20 0 GFADRO CC[C@@H]1Cc2c(Br)cccc2CN1C(=O)NCCOCC[NH2+]C ZINC000627173256 565725303 /nfs/dbraw/zinc/72/53/03/565725303.db2.gz RTAMCYNHLBYMGI-CQSZACIVSA-N 1 0 384.318 2.531 20 0 GFADRO Cc1c2cc(C(=O)N3CC[C@H]([N@@H+]4CC[C@@H](O)C4)C3)[nH]c2ccc1Br ZINC000627271020 565730713 /nfs/dbraw/zinc/73/07/13/565730713.db2.gz PQDHUWOXFWOLFX-QWHCGFSZSA-N 1 0 392.297 2.520 20 0 GFADRO CCc1nn(C)cc1C[NH2+]C[C@@H](CO)Cc1cc(Br)ccc1OC ZINC000648815236 565731877 /nfs/dbraw/zinc/73/18/77/565731877.db2.gz RRWYJBRKNMLETQ-ZDUSSCGKSA-N 1 0 396.329 2.694 20 0 GFADRO Cn1nc2cc(Br)ccc2c1C(=O)N1CC[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000648856206 565734028 /nfs/dbraw/zinc/73/40/28/565734028.db2.gz YBOAABKZGTXOEF-ABAIWWIYSA-N 1 0 377.286 2.502 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)C(=O)NCc1ccc(Cl)o1)c1ccc(Cl)cc1 ZINC000670660119 565736520 /nfs/dbraw/zinc/73/65/20/565736520.db2.gz KNYLFWZFBRCPCQ-CQSZACIVSA-N 1 0 384.263 2.622 20 0 GFADRO C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000627446622 565737586 /nfs/dbraw/zinc/73/75/86/565737586.db2.gz QRBPWDXCOXUIRB-NHYWBVRUSA-N 1 0 384.307 2.914 20 0 GFADRO O=C(NC[C@H]1CCCC[N@H+]1CCO)c1ccc(OC(F)(F)F)c(Cl)c1 ZINC000627574675 565741756 /nfs/dbraw/zinc/74/17/56/565741756.db2.gz NEQBVRLDUVERIM-GFCCVEGCSA-N 1 0 380.794 2.815 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000627653589 565744886 /nfs/dbraw/zinc/74/48/86/565744886.db2.gz UJTMPAMSEXTNCM-FVQHAEBGSA-N 1 0 389.297 2.575 20 0 GFADRO C[NH+](C)[C@@H]1[C@H]2CN(C(=O)c3cc(-c4ccc(Br)cc4)no3)C[C@H]21 ZINC000627656481 565745051 /nfs/dbraw/zinc/74/50/51/565745051.db2.gz KJTTYHTWCRMMKQ-VIKVFOODSA-N 1 0 376.254 2.736 20 0 GFADRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)c1cc(Cl)cc(C(F)(F)F)c1 ZINC000649071940 565746261 /nfs/dbraw/zinc/74/62/61/565746261.db2.gz VGIQXHIWKWSJOA-JTQLQIEISA-N 1 0 377.794 2.551 20 0 GFADRO CC(C)OC(=O)Cc1nc(CN2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)cs1 ZINC000600723524 565747258 /nfs/dbraw/zinc/74/72/58/565747258.db2.gz VHRLHBGSHUZTJI-YPMHNXCESA-N 1 0 379.448 2.596 20 0 GFADRO C[NH+]1CCC2(CC1)CN(C(=O)CCc1cc(F)ccc1Br)CCO2 ZINC000649130323 565749020 /nfs/dbraw/zinc/74/90/20/565749020.db2.gz CUHIDDOLXSTZCR-UHFFFAOYSA-N 1 0 399.304 2.844 20 0 GFADRO O=C(NC[C@@H]1CC[N@@H+]1C1CCCCC1)C(=O)Nc1ccccc1Br ZINC000627754794 565750137 /nfs/dbraw/zinc/75/01/37/565750137.db2.gz IJGKDAQHZGJRPJ-AWEZNQCLSA-N 1 0 394.313 2.911 20 0 GFADRO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]CCc1ccc2c[nH]nc2c1 ZINC000671124450 565752791 /nfs/dbraw/zinc/75/27/91/565752791.db2.gz GYFXGPRLDDRJND-LBPRGKRZSA-N 1 0 375.270 2.708 20 0 GFADRO CC[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000600880746 565753631 /nfs/dbraw/zinc/75/36/31/565753631.db2.gz SSHJLSZJZRFSGQ-CVEARBPZSA-N 1 0 387.355 2.860 20 0 GFADRO C[N@@H+]1CCCC[C@@H](CNC(=O)C(=O)Nc2cc(Cl)c(F)c(Cl)c2)C1 ZINC000627827026 565755110 /nfs/dbraw/zinc/75/51/10/565755110.db2.gz OBTAZAXXBPGUAH-JTQLQIEISA-N 1 0 376.259 2.919 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)C(=O)NC[C@H]1CCCC[N@H+](C)C1 ZINC000627826004 565755142 /nfs/dbraw/zinc/75/51/42/565755142.db2.gz LXBWLEOKZQRWEY-CYBMUJFWSA-N 1 0 396.329 2.798 20 0 GFADRO C[C@H](CNC(=O)N1CC[NH+]2CCC1CC2)Oc1ccccc1Br ZINC000671206212 565757824 /nfs/dbraw/zinc/75/78/24/565757824.db2.gz KIOSYLYUGBBSQA-CYBMUJFWSA-N 1 0 382.302 2.706 20 0 GFADRO O[C@@H](COc1cc(F)cc(Br)c1)C[N@@H+]1CC[C@]2(C1)CCCOC2 ZINC000671255053 565760059 /nfs/dbraw/zinc/76/00/59/565760059.db2.gz YHJQWKQODCJQIX-WBVHZDCISA-N 1 0 388.277 2.830 20 0 GFADRO CS(=O)(=O)c1cc(CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc(C(F)(F)F)c1 ZINC000671300528 565761030 /nfs/dbraw/zinc/76/10/30/565761030.db2.gz OPBLMMNSPNSWAB-CABCVRRESA-N 1 0 376.444 2.825 20 0 GFADRO C[NH+](C)CCn1cc(NC(=O)[C@H]2CCOc3ccc(Br)cc32)cn1 ZINC000649679563 565772221 /nfs/dbraw/zinc/77/22/21/565772221.db2.gz TXTGDIJSOQYBHV-AWEZNQCLSA-N 1 0 393.285 2.712 20 0 GFADRO CC(C)[NH2+][C@H]1CCCN(C(=O)NCCOc2ccc(Br)cc2)C1 ZINC000601286447 565775049 /nfs/dbraw/zinc/77/50/49/565775049.db2.gz VJEILRWFRNFREE-HNNXBMFYSA-N 1 0 384.318 3.000 20 0 GFADRO C[NH+](C)C1(CNC(=O)c2nscc2Br)Cc2ccccc2C1 ZINC000649766351 565778496 /nfs/dbraw/zinc/77/84/96/565778496.db2.gz IQZKURRHXCYFOZ-UHFFFAOYSA-N 1 0 380.311 2.735 20 0 GFADRO COc1ccc(S(=O)(=O)N2CCC[N@H+](C[C@]3(C)CCCS3)CC2)cc1 ZINC000628190368 565779491 /nfs/dbraw/zinc/77/94/91/565779491.db2.gz DRBUCMHFVVEUCJ-SFHVURJKSA-N 1 0 384.567 2.677 20 0 GFADRO C[N@H+](CCCO)Cc1cc(Cl)cc(Cl)c1OCCN1CCOCC1 ZINC000628261970 565781905 /nfs/dbraw/zinc/78/19/05/565781905.db2.gz RDKVXSSITIXTON-UHFFFAOYSA-N 1 0 377.312 2.519 20 0 GFADRO CSC1(CNS(=O)(=O)c2cscc2Br)CC[NH+](C)CC1 ZINC000601416131 565782719 /nfs/dbraw/zinc/78/27/19/565782719.db2.gz MDEUYGSYOPJCTH-UHFFFAOYSA-N 1 0 399.401 2.616 20 0 GFADRO CS[C@@H]1CN(C(=O)[C@H](C)n2ccc(C(F)(F)F)n2)C[C@H]1[NH+]1CCCC1 ZINC000601436667 565783911 /nfs/dbraw/zinc/78/39/11/565783911.db2.gz JSKUATLEIKJWIO-YNEHKIRRSA-N 1 0 376.448 2.501 20 0 GFADRO CN(C(=O)c1cc(Br)cs1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000601478172 565785954 /nfs/dbraw/zinc/78/59/54/565785954.db2.gz XDUBERCEISEAOR-AWEZNQCLSA-N 1 0 386.359 2.751 20 0 GFADRO C[C@H]1C[C@H]([NH3+])CN1C(=O)Nc1cc(F)c(I)c(F)c1 ZINC000601558970 565791294 /nfs/dbraw/zinc/79/12/94/565791294.db2.gz LPYUMUVQJLZPEJ-BQBZGAKWSA-N 1 0 381.164 2.523 20 0 GFADRO O=C(c1cc(F)ccc1I)N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000601555377 565791675 /nfs/dbraw/zinc/79/16/75/565791675.db2.gz FEGQNNMSKHIFFU-YGRLFVJLSA-N 1 0 388.224 2.644 20 0 GFADRO CS(=O)(=O)c1cccc(Br)c1N1CCN(c2cc[nH+]cc2)CC1 ZINC000672144188 565796779 /nfs/dbraw/zinc/79/67/79/565796779.db2.gz AUJAUCLZGNHYOZ-UHFFFAOYSA-N 1 0 396.310 2.574 20 0 GFADRO Cc1cc(Br)cc(C)c1N1CCC[C@H](NC(=O)[C@H](C)[NH+](C)C)C1=O ZINC000672303059 565801789 /nfs/dbraw/zinc/80/17/89/565801789.db2.gz QCXLYUXQILTGSU-ZFWWWQNUSA-N 1 0 396.329 2.628 20 0 GFADRO CCC1([NH+](C)C)CCN(C(=O)c2ccc(I)cn2)CC1 ZINC000601791917 565803976 /nfs/dbraw/zinc/80/39/76/565803976.db2.gz QURNNAFGGMGTPS-UHFFFAOYSA-N 1 0 387.265 2.633 20 0 GFADRO C[N@@H+]1CCCC[C@H](CNC(=O)C[C@H]2Sc3ccc(Cl)cc3NC2=O)C1 ZINC000628741946 565804988 /nfs/dbraw/zinc/80/49/88/565804988.db2.gz QDVFMHJFMTUNIQ-MLGOLLRUSA-N 1 0 381.929 2.991 20 0 GFADRO CC[C@H](C[NH+]1CCCC1)NS(=O)(=O)Cc1ccccc1Br ZINC000672389516 565806290 /nfs/dbraw/zinc/80/62/90/565806290.db2.gz VFTHRDZDHFBRAC-CQSZACIVSA-N 1 0 375.332 2.743 20 0 GFADRO C[C@@H]([NH2+][C@@H]1CCCN(S(=O)(=O)N(C)C)C1)c1cccc(C(F)(F)F)c1 ZINC000672616491 565814249 /nfs/dbraw/zinc/81/42/49/565814249.db2.gz OHMUDTXQQOJUOT-IUODEOHRSA-N 1 0 379.448 2.627 20 0 GFADRO CC(C)[NH2+][C@H]1CCCN(C(=O)CCCS(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000672824212 565818486 /nfs/dbraw/zinc/81/84/86/565818486.db2.gz FNOFTCLMWFGBMX-INIZCTEOSA-N 1 0 386.945 2.883 20 0 GFADRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1cnc2ncc(Br)cc2c1 ZINC000672867971 565820336 /nfs/dbraw/zinc/82/03/36/565820336.db2.gz IOAXHQZYYYITFY-BMIGLBTASA-N 1 0 375.270 2.605 20 0 GFADRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1cnc2ncc(Br)cc2c1 ZINC000672867973 565820754 /nfs/dbraw/zinc/82/07/54/565820754.db2.gz IOAXHQZYYYITFY-MEBBXXQBSA-N 1 0 375.270 2.605 20 0 GFADRO C[NH+](C)C[C@H]1CCN(C(=O)c2ccc3[nH]cc(I)c3c2)C1 ZINC000602099114 565823011 /nfs/dbraw/zinc/82/30/11/565823011.db2.gz YCLWKXJZPHWGEH-LLVKDONJSA-N 1 0 397.260 2.796 20 0 GFADRO O=C(N[C@H]1C[C@@H]([NH+]2CCCC2)C1)c1cc(I)ccc1F ZINC000602168595 565827630 /nfs/dbraw/zinc/82/76/30/565827630.db2.gz WXJNKEAKVXWGEL-TXEJJXNPSA-N 1 0 388.224 2.787 20 0 GFADRO O=C(Cc1ccc(Br)c(Cl)c1)NC[C@H]1CCC[N@H+]1CCCO ZINC000650583342 565827915 /nfs/dbraw/zinc/82/79/15/565827915.db2.gz BJYNJBRDHAAXIX-CYBMUJFWSA-N 1 0 389.721 2.608 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(Cc3cnc4ccc(Br)cn34)C2)C1 ZINC000650706358 565832496 /nfs/dbraw/zinc/83/24/96/565832496.db2.gz JCFWHUYTAUWTAI-UNEWFSDZSA-N 1 0 393.329 2.815 20 0 GFADRO COCC[N@@H+]1CCN(C(=O)Cc2cc(OC)ccc2Br)C(C)(C)C1 ZINC000650830042 565836547 /nfs/dbraw/zinc/83/65/47/565836547.db2.gz MLILGXGVVZKJJY-UHFFFAOYSA-N 1 0 399.329 2.569 20 0 GFADRO Cc1ccc(C(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)cc1Br ZINC000673798700 565846860 /nfs/dbraw/zinc/84/68/60/565846860.db2.gz ITKLQGZGKMCMGZ-HNNXBMFYSA-N 1 0 380.330 2.656 20 0 GFADRO C[S@](=O)C1(C(=O)NCC2(Sc3ccccc3)CCCC2)CC[NH2+]CC1 ZINC000602453104 565848670 /nfs/dbraw/zinc/84/86/70/565848670.db2.gz MDPLTXAFZAPADK-VWLOTQADSA-N 1 0 380.579 2.708 20 0 GFADRO O=C(CCc1ccc(Br)cc1F)N1CC[NH+](C2CCOCC2)CC1 ZINC000673829214 565848796 /nfs/dbraw/zinc/84/87/96/565848796.db2.gz ZWPCKTDWELSRFZ-UHFFFAOYSA-N 1 0 399.304 2.844 20 0 GFADRO Cc1cc(C[NH3+])oc1C(=O)NCCc1ccc(I)s1 ZINC000602451505 565848981 /nfs/dbraw/zinc/84/89/81/565848981.db2.gz PKQHHEUYMWKKJI-UHFFFAOYSA-N 1 0 390.246 2.685 20 0 GFADRO O=C(CNC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1)c1ccc(F)cc1Cl ZINC000629368520 565849269 /nfs/dbraw/zinc/84/92/69/565849269.db2.gz ZGQDRNFHRHEZCP-CQSZACIVSA-N 1 0 384.904 2.996 20 0 GFADRO Ic1ccc(CN2CC[NH+](C3CCOCC3)CC2)s1 ZINC000602472534 565849765 /nfs/dbraw/zinc/84/97/65/565849765.db2.gz NTEYQSUJKOVWTB-UHFFFAOYSA-N 1 0 392.306 2.649 20 0 GFADRO CC(=O)N[C@H](CC(=O)N(C)CCCC[NH+](C)C)c1ccc(Br)cc1 ZINC000673840819 565850325 /nfs/dbraw/zinc/85/03/25/565850325.db2.gz MKYLFBRVAADQOV-QGZVFWFLSA-N 1 0 398.345 2.817 20 0 GFADRO CCn1c(SCC(=O)N(C)CCCC[NH+](C)C)nnc1-c1cccs1 ZINC000673841378 565850376 /nfs/dbraw/zinc/85/03/76/565850376.db2.gz VAEOYHFDIVQGMY-UHFFFAOYSA-N 1 0 381.571 2.919 20 0 GFADRO CS[C@@H]1CCCCN(Cc2ccc(S(N)(=O)=O)c(Br)c2)C1 ZINC000602488312 565851391 /nfs/dbraw/zinc/85/13/91/565851391.db2.gz UNHCREACFCXKJY-GFCCVEGCSA-N 1 0 393.372 2.814 20 0 GFADRO CC(C)N(CC(=O)OC(C)(C)C)Cc1ccc(Cl)c(S(N)(=O)=O)c1 ZINC000602477908 565851647 /nfs/dbraw/zinc/85/16/47/565851647.db2.gz USHLCPODJBMYCE-UHFFFAOYSA-N 1 0 376.906 2.540 20 0 GFADRO C[S@@](=O)C1(C(=O)N2CC(C)(C)c3ccc(Br)cc32)CC[NH2+]CC1 ZINC000602520158 565852094 /nfs/dbraw/zinc/85/20/94/565852094.db2.gz FTEHHYQGMMTWEO-HSZRJFAPSA-N 1 0 399.354 2.574 20 0 GFADRO O=C(CCC[S@](=O)c1ccc(Br)cc1)N[C@@H]1CC[NH2+]C12CCC2 ZINC000602529082 565852197 /nfs/dbraw/zinc/85/21/97/565852197.db2.gz DRXBGJMXSVUBCE-CMJOXMDJSA-N 1 0 399.354 2.738 20 0 GFADRO C[C@@H](Cc1c(Cl)cccc1Cl)NC(=O)C1([S@](C)=O)CC[NH2+]CC1 ZINC000602514308 565852746 /nfs/dbraw/zinc/85/27/46/565852746.db2.gz SSTNKVSEBRIJQG-RULNZOCKSA-N 1 0 377.337 2.541 20 0 GFADRO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)[C@H]1CCOc2ccc(Br)cc21 ZINC000651295462 565854526 /nfs/dbraw/zinc/85/45/26/565854526.db2.gz FXEJKXCCFUABGL-CABCVRRESA-N 1 0 379.298 2.916 20 0 GFADRO CC[NH+]1CCN([C@@H](C)CNc2ncc(Br)c3ccc(F)cc32)CC1 ZINC000651298085 565854570 /nfs/dbraw/zinc/85/45/70/565854570.db2.gz SZPLSEZQPPKRSN-ZDUSSCGKSA-N 1 0 395.320 3.574 20 0 GFADRO C[NH+](C)C1CCN(CCNc2ncc(Br)c3ccc(F)cc32)CC1 ZINC000651324983 565856755 /nfs/dbraw/zinc/85/67/55/565856755.db2.gz WSNMPOLOSHYSBK-UHFFFAOYSA-N 1 0 395.320 3.574 20 0 GFADRO CN1CCC([N@@H+]2CC[C@@H](Nc3ccc(-c4ccc(Cl)s4)nn3)C2)CC1 ZINC000651313927 565856899 /nfs/dbraw/zinc/85/68/99/565856899.db2.gz OLDOVUJTLLPZOF-CYBMUJFWSA-N 1 0 377.945 3.439 20 0 GFADRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1c1ncnc2cc(Br)sc21 ZINC000651344447 565858664 /nfs/dbraw/zinc/85/86/64/565858664.db2.gz FPTGILJUPKCIAQ-JTQLQIEISA-N 1 0 385.331 2.735 20 0 GFADRO [NH3+]C[C@@H]1CN([C@@H]2CCN(c3ccccc3Cl)C2=O)CC[C@@H]1C(F)(F)F ZINC000629564414 565858897 /nfs/dbraw/zinc/85/88/97/565858897.db2.gz UGSYVDCHUKORBR-TYNCELHUSA-N 1 0 375.822 2.904 20 0 GFADRO C[C@]12C[NH2+]C[C@@]1(C)CN(CC(=O)Nc1ccc(Br)cc1Cl)C2 ZINC000629596033 565861499 /nfs/dbraw/zinc/86/14/99/565861499.db2.gz QIFPSQLQDYIRLN-IYBDPMFKSA-N 1 0 386.721 2.972 20 0 GFADRO COc1ncc(Br)cc1C[NH2+]CCC(=O)N(C)c1ccccc1 ZINC000629593753 565862080 /nfs/dbraw/zinc/86/20/80/565862080.db2.gz VQNLQQYLZIAWGY-UHFFFAOYSA-N 1 0 378.270 2.995 20 0 GFADRO O[C@@H]1C[C@@H]([C@@H]2CCCOC2)[N@H+](Cc2ccc(I)s2)C1 ZINC000602678086 565862830 /nfs/dbraw/zinc/86/28/30/565862830.db2.gz BRJFDTHFNOGTKO-WZRBSPASSA-N 1 0 393.290 2.715 20 0 GFADRO CC(C)[N@@H+](Cc1ccc(I)s1)C[C@@H]1CCC(=O)N1 ZINC000602694991 565863666 /nfs/dbraw/zinc/86/36/66/565863666.db2.gz UMLBKXUSRFWKHP-JTQLQIEISA-N 1 0 378.279 2.842 20 0 GFADRO CCOC(=O)[C@]1(C)CCC[C@H]1[NH2+]Cc1cnn2cc(Br)cnc12 ZINC000602723019 565865475 /nfs/dbraw/zinc/86/54/75/565865475.db2.gz PRQGDFWSRFJMHT-CZUORRHYSA-N 1 0 381.274 2.703 20 0 GFADRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)[C@@H]1CCOc2ccc(Br)cc21 ZINC000651488961 565866046 /nfs/dbraw/zinc/86/60/46/565866046.db2.gz IMCTVEDTQPCOBG-DJSGYFEHSA-N 1 0 379.298 2.914 20 0 GFADRO CCN(C#N)CC[NH+]1CCC(C(=O)Nc2ccccc2Br)CC1 ZINC000602789465 565867762 /nfs/dbraw/zinc/86/77/62/565867762.db2.gz ZVDDBTZNYPXREV-UHFFFAOYSA-N 1 0 379.302 2.903 20 0 GFADRO COc1ccc(NC(=O)NCC[NH+]2CCC(OC)CC2)c(Br)c1 ZINC000674316128 565868847 /nfs/dbraw/zinc/86/88/47/565868847.db2.gz ANJDKVBXTMVUSL-UHFFFAOYSA-N 1 0 386.290 2.690 20 0 GFADRO Cc1cc(CCC(=O)NCCCN2CCC[N@@H+](C)CC2)ccc1Br ZINC000674360158 565871347 /nfs/dbraw/zinc/87/13/47/565871347.db2.gz LKFYLARUSBGTKA-UHFFFAOYSA-N 1 0 396.373 2.834 20 0 GFADRO Cc1cc(Br)sc1S(=O)(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000651561659 565872661 /nfs/dbraw/zinc/87/26/61/565872661.db2.gz SZZNGTJAXDJPKJ-LLVKDONJSA-N 1 0 381.361 2.781 20 0 GFADRO COC[C@@H]1CCC[N@@H+]1C[C@H](O)COc1ccc(Cl)cc1Br ZINC000674469761 565874900 /nfs/dbraw/zinc/87/49/00/565874900.db2.gz KOOGUUQITBOSMP-STQMWFEESA-N 1 0 378.694 2.953 20 0 GFADRO COC(=O)[C@@]1(C)C[N@H+](Cc2nnc(-c3ccc(Br)o3)o2)C[C@@H]1C ZINC000602927044 565875210 /nfs/dbraw/zinc/87/52/10/565875210.db2.gz PXWLAPPUEZCYPG-VFZGTOFNSA-N 1 0 384.230 2.723 20 0 GFADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)CCc1cn[nH]c1 ZINC000629973043 565878114 /nfs/dbraw/zinc/87/81/14/565878114.db2.gz JQSANVWNYPNIFV-UHFFFAOYSA-N 1 0 379.302 2.695 20 0 GFADRO O=S(=O)(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1ccc(Cl)c(F)c1 ZINC000651605896 565878634 /nfs/dbraw/zinc/87/86/34/565878634.db2.gz YOOUIGKJOKPGID-SJORKVTESA-N 1 0 390.908 2.525 20 0 GFADRO C[NH2+]C1(CNC(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)CCC1 ZINC000629998802 565879756 /nfs/dbraw/zinc/87/97/56/565879756.db2.gz LROZJDQCAYGVOM-HNNXBMFYSA-N 1 0 384.307 2.856 20 0 GFADRO Cc1c(S(=O)(=O)N(C)CCCC[NH+](C)C)cnn1-c1ccc(Cl)cc1 ZINC000674716489 565881050 /nfs/dbraw/zinc/88/10/50/565881050.db2.gz DOXMABIMRYZMOI-UHFFFAOYSA-N 1 0 384.933 2.796 20 0 GFADRO CS(=O)(=O)N1CCC[C@H](C[NH+]2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)C1 ZINC000674749888 565882050 /nfs/dbraw/zinc/88/20/50/565882050.db2.gz AZMBQVGCZYRIOB-IJLUTSLNSA-N 1 0 396.397 2.721 20 0 GFADRO Cc1cc(Br)sc1S(=O)(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000651675016 565884088 /nfs/dbraw/zinc/88/40/88/565884088.db2.gz HOPJMEISIATAGJ-UHFFFAOYSA-N 1 0 393.372 2.972 20 0 GFADRO CC[NH+]1CCC(NC(=O)CN2CCc3c(F)cc(Br)cc3C2)CC1 ZINC000675249078 565896375 /nfs/dbraw/zinc/89/63/75/565896375.db2.gz OKXHFJAQGZUECZ-UHFFFAOYSA-N 1 0 398.320 2.547 20 0 GFADRO CO[C@@H]1CN(C(=O)Cc2csc(-c3ccccc3Cl)n2)[C@@](C)(C[NH3+])C1 ZINC000630371325 565897243 /nfs/dbraw/zinc/89/72/43/565897243.db2.gz KQFXDCSPHKLADX-SCLBCKFNSA-N 1 0 379.913 2.971 20 0 GFADRO CO[C@H]1CN(C(=O)Cc2csc(-c3ccccc3Cl)n2)[C@@](C)(C[NH3+])C1 ZINC000630371324 565897252 /nfs/dbraw/zinc/89/72/52/565897252.db2.gz KQFXDCSPHKLADX-FZKQIMNGSA-N 1 0 379.913 2.971 20 0 GFADRO CCOC(=O)c1nc(N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)ccc1Br ZINC000603313350 565897697 /nfs/dbraw/zinc/89/76/97/565897697.db2.gz CSPFXTCZRCQRPV-OCCSQVGLSA-N 1 0 382.302 2.941 20 0 GFADRO CC(C)Oc1cc(C(=O)NCC[N@@H+]2CCCOCC2)ccc1Br ZINC000651851323 565898591 /nfs/dbraw/zinc/89/85/91/565898591.db2.gz PNXVADPFMVGOPG-UHFFFAOYSA-N 1 0 385.302 2.688 20 0 GFADRO C[C@H](CNC(=O)CCCc1cccc(Br)c1)N1CC[NH+](C)CC1 ZINC000675463498 565903309 /nfs/dbraw/zinc/90/33/09/565903309.db2.gz MMHPWNXSJJGNQK-OAHLLOKOSA-N 1 0 382.346 2.524 20 0 GFADRO CN(CC[NH+]1CCCCC1)S(=O)(=O)c1cc(F)ccc1Br ZINC000651926107 565905343 /nfs/dbraw/zinc/90/53/43/565905343.db2.gz GDHXKLVYZXKAJO-UHFFFAOYSA-N 1 0 379.295 2.695 20 0 GFADRO COC(=O)c1cc(NC(=O)NCCC(C)(C)[NH3+])c(Br)cc1F ZINC000603432719 565905825 /nfs/dbraw/zinc/90/58/25/565905825.db2.gz SJVOTQMUSAJVDT-UHFFFAOYSA-N 1 0 376.226 2.624 20 0 GFADRO CC[NH+](CC)C[C@H]1CCN(C(=O)c2ncc(I)s2)C1 ZINC000603437852 565906935 /nfs/dbraw/zinc/90/69/35/565906935.db2.gz SUKOWMZLBKATQR-SNVBAGLBSA-N 1 0 393.294 2.552 20 0 GFADRO COc1ccc([C@H](C)NC(=O)c2cnn(CC[NH+](C)C)c2)cc1Br ZINC000630575639 565910363 /nfs/dbraw/zinc/91/03/63/565910363.db2.gz RIDNCWJDBBICTO-LBPRGKRZSA-N 1 0 395.301 2.707 20 0 GFADRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)c3nc4cc(Cl)ccc4s3)CC2)C1 ZINC000652012015 565910702 /nfs/dbraw/zinc/91/07/02/565910702.db2.gz ATVRFAWTBFETQG-CQSZACIVSA-N 1 0 378.929 2.802 20 0 GFADRO C[C@H](c1ccccc1Br)n1cc(CCN2CCC([NH3+])CC2)nn1 ZINC000630612387 565911618 /nfs/dbraw/zinc/91/16/18/565911618.db2.gz MTXFNBLDMVPRBQ-CYBMUJFWSA-N 1 0 378.318 2.616 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000675699740 565912424 /nfs/dbraw/zinc/91/24/24/565912424.db2.gz XMCYBXDRBQRPMG-OAHLLOKOSA-N 1 0 394.313 2.551 20 0 GFADRO CCOc1c(Br)cc(C[NH2+]CC[C@]2(O)CCCOC2)cc1OC ZINC000652039922 565912582 /nfs/dbraw/zinc/91/25/82/565912582.db2.gz RWPKUHUOIIUIMW-QGZVFWFLSA-N 1 0 388.302 2.878 20 0 GFADRO COCC[NH2+]C1CCN(C(=O)NCc2ccc(Br)cc2C)CC1 ZINC000652150173 565917675 /nfs/dbraw/zinc/91/76/75/565917675.db2.gz NQHCHABQDPNACM-UHFFFAOYSA-N 1 0 384.318 2.668 20 0 GFADRO [NH3+]CC1(CCNC(=O)N[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)CC1 ZINC000652176957 565918567 /nfs/dbraw/zinc/91/85/67/565918567.db2.gz WFYDZGSHCUXZPS-AWEZNQCLSA-N 1 0 385.295 2.527 20 0 GFADRO O=C(NC1CC[NH+](CC2CC2)CC1)c1ccc2cncc(Br)c2n1 ZINC000630778849 565919221 /nfs/dbraw/zinc/91/92/21/565919221.db2.gz XONNDHNUJGFPEW-UHFFFAOYSA-N 1 0 389.297 2.997 20 0 GFADRO C[C@H](CCc1cccc(C(F)(F)F)c1)[NH2+]CC1(O)CCS(=O)(=O)CC1 ZINC000675900023 565920031 /nfs/dbraw/zinc/92/00/31/565920031.db2.gz UEHOKPYDVMMIQK-CYBMUJFWSA-N 1 0 379.444 2.556 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)N(C)CC[NH+]1CCCCC1 ZINC000652293938 565921726 /nfs/dbraw/zinc/92/17/26/565921726.db2.gz GUWXAVNCJZSHJH-UHFFFAOYSA-N 1 0 396.329 2.949 20 0 GFADRO C[C@@H]1CCCN(CC(=O)N(C)Cc2cc(Br)cs2)[C@H]1CC[NH3+] ZINC000652354563 565922885 /nfs/dbraw/zinc/92/28/85/565922885.db2.gz BWWIAMZAHVIGKC-DOMZBBRYSA-N 1 0 388.375 2.918 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(CC(=O)Nc3ccccc3Br)C2)C1 ZINC000652345438 565923396 /nfs/dbraw/zinc/92/33/96/565923396.db2.gz BWJPNCUELRBTER-CPUCHLNUSA-N 1 0 396.329 2.606 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)N[C@@H]1CCOc2ccc(Br)cc21 ZINC000604179370 565924956 /nfs/dbraw/zinc/92/49/56/565924956.db2.gz JQBAEAMZPJPJAF-IUODEOHRSA-N 1 0 380.286 2.809 20 0 GFADRO C[C@@H]1CCCN(S(=O)(=O)c2ccc(F)c(Br)c2)[C@H]1CC[NH3+] ZINC000652377910 565926407 /nfs/dbraw/zinc/92/64/07/565926407.db2.gz SBZVIDINXKVNKU-YGRLFVJLSA-N 1 0 379.295 2.726 20 0 GFADRO COc1cc(C(F)(F)F)cc(S(=O)(=O)N2CCC[C@H](C)[C@H]2CC[NH3+])c1 ZINC000652377317 565926437 /nfs/dbraw/zinc/92/64/37/565926437.db2.gz DXCNMADXBCXLCO-XHDPSFHLSA-N 1 0 380.432 2.852 20 0 GFADRO C[C@H]1CCCN(S(=O)(=O)c2cc(F)ccc2Br)[C@@H]1CC[NH3+] ZINC000652377515 565926458 /nfs/dbraw/zinc/92/64/58/565926458.db2.gz JAPAAVMTRKOFQO-GXFFZTMASA-N 1 0 379.295 2.726 20 0 GFADRO C[NH2+]Cc1ccccc1CNS(=O)(=O)N(C)Cc1c(F)cccc1Cl ZINC000652381764 565926510 /nfs/dbraw/zinc/92/65/10/565926510.db2.gz OCGHREJEKAUVPY-UHFFFAOYSA-N 1 0 385.892 2.665 20 0 GFADRO C[C@@H]1CCCN(S(=O)(=O)c2cc(F)ccc2Br)[C@@H]1CC[NH3+] ZINC000652377517 565926571 /nfs/dbraw/zinc/92/65/71/565926571.db2.gz JAPAAVMTRKOFQO-ZWNOBZJWSA-N 1 0 379.295 2.726 20 0 GFADRO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCCN2S(=O)(=O)c2cc(F)ccc2Cl)C1 ZINC000652383627 565927803 /nfs/dbraw/zinc/92/78/03/565927803.db2.gz BNNSKITWQKRBPM-VHDGCEQUSA-N 1 0 376.881 2.529 20 0 GFADRO [NH3+]C[C@H]1Cc2ccccc2N(S(=O)(=O)c2cc(F)ccc2Br)C1 ZINC000630950012 565929577 /nfs/dbraw/zinc/92/95/77/565929577.db2.gz DAMICZJFOILEIA-LLVKDONJSA-N 1 0 399.285 2.915 20 0 GFADRO COc1ccc(NC(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c(Br)c1 ZINC000604621341 565933277 /nfs/dbraw/zinc/93/32/77/565933277.db2.gz PYHWOGPKFOHHDN-JKSUJKDBSA-N 1 0 398.301 2.521 20 0 GFADRO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCN(C(=O)Nc3nc(C(F)(F)F)cs3)C2)C1 ZINC000652563302 565933458 /nfs/dbraw/zinc/93/34/58/565933458.db2.gz IHDLNEDFQZKKJD-GMTAPVOTSA-N 1 0 378.420 2.912 20 0 GFADRO Cc1nc(S(=O)(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)sc1C ZINC000676416731 565936056 /nfs/dbraw/zinc/93/60/56/565936056.db2.gz RCPMLXUZXAFAKH-GUYCJALGSA-N 1 0 379.551 2.949 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N2CCC(CC[NH3+])CC2)c(Br)c1 ZINC000652642186 565936313 /nfs/dbraw/zinc/93/63/13/565936313.db2.gz KSPLQCHZMLHWDF-UHFFFAOYSA-N 1 0 382.302 2.592 20 0 GFADRO Cc1cc(Br)cc(C)c1S(=O)(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000604766509 565936429 /nfs/dbraw/zinc/93/64/29/565936429.db2.gz WODLRIVRTDILOL-AWEZNQCLSA-N 1 0 375.332 2.781 20 0 GFADRO O=C(NCCC1CC[NH2+]CC1)C(=O)Nc1cc(Cl)cc(C(F)(F)F)c1 ZINC000652642577 565937377 /nfs/dbraw/zinc/93/73/77/565937377.db2.gz AZQSMKFHWBAFJF-UHFFFAOYSA-N 1 0 377.794 2.803 20 0 GFADRO [NH3+]CC1(CCNC(=O)C(=O)N(Cc2ccc(Cl)c(Cl)c2)C2CC2)CC1 ZINC000652709605 565938701 /nfs/dbraw/zinc/93/87/01/565938701.db2.gz VURTWQBSWWILKC-UHFFFAOYSA-N 1 0 384.307 2.730 20 0 GFADRO O[C@H]1CCC[C@@H]1[NH+]1CCC(NCc2ncc(Br)cc2Cl)CC1 ZINC000631090642 565939456 /nfs/dbraw/zinc/93/94/56/565939456.db2.gz HPLIQCXZARTTBE-HOTGVXAUSA-N 1 0 388.737 2.965 20 0 GFADRO Cc1cc(S(=O)(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)c(C)cc1Br ZINC000604887512 565939440 /nfs/dbraw/zinc/93/94/40/565939440.db2.gz HPLCZBQAVJHISK-HUUCEWRRSA-N 1 0 387.343 2.971 20 0 GFADRO COc1cc(C[C@@H](CO)C[NH2+]Cc2ccncc2Br)cc(OC)c1 ZINC000631082975 565939803 /nfs/dbraw/zinc/93/98/03/565939803.db2.gz LQJXXAFMYXGAJL-CQSZACIVSA-N 1 0 395.297 2.802 20 0 GFADRO NC(=O)[C@H]1CCC[N@@H+]1Cc1cccc(NCc2ccncc2Br)c1 ZINC000631095025 565940414 /nfs/dbraw/zinc/94/04/14/565940414.db2.gz ZJKZPDXDOXDCPI-QGZVFWFLSA-N 1 0 389.297 2.906 20 0 GFADRO COCCOC1(C[NH2+]Cc2ncc(Br)cc2Cl)CCOCC1 ZINC000631150348 565945266 /nfs/dbraw/zinc/94/52/66/565945266.db2.gz ZRAGIKNJKVZARK-UHFFFAOYSA-N 1 0 393.709 2.799 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2Cc1cn2cc(Br)ccc2n1 ZINC000676716807 565946730 /nfs/dbraw/zinc/94/67/30/565946730.db2.gz YTGXEQLLMIXDBJ-IXDOHACOSA-N 1 0 393.329 2.780 20 0 GFADRO NS(=O)(=O)NC[C@H]1CCC[N@H+](CCSc2cc(Cl)ccc2Cl)C1 ZINC000605150422 565946904 /nfs/dbraw/zinc/94/69/04/565946904.db2.gz XSLWVNHBXOEZLW-LLVKDONJSA-N 1 0 398.381 2.591 20 0 GFADRO FC(F)(F)[C@H](C[NH2+]Cc1cc(Cl)c2c(c1)OCCCO2)n1cncn1 ZINC000631212659 565949193 /nfs/dbraw/zinc/94/91/93/565949193.db2.gz ZDMGUORLNHIZBT-ZDUSSCGKSA-N 1 0 376.766 2.986 20 0 GFADRO Cc1c(Br)csc1C(=O)NC[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000631270079 565950630 /nfs/dbraw/zinc/95/06/30/565950630.db2.gz OJIFCHIIDXXZMC-CQSZACIVSA-N 1 0 388.375 2.821 20 0 GFADRO Cc1cc(F)c(Br)cc1NC(=O)NCCN1C[C@H]2CC[C@@H](C1)O2 ZINC000653015427 565950787 /nfs/dbraw/zinc/95/07/87/565950787.db2.gz HBTWHQOVNPMNCX-TXEJJXNPSA-N 1 0 386.265 2.881 20 0 GFADRO C[C@H](NC(=O)c1ccc2cncc(Br)c2n1)C1CC[NH+](C)CC1 ZINC000631277822 565952163 /nfs/dbraw/zinc/95/21/63/565952163.db2.gz KUIBQGOYTVZERZ-NSHDSACASA-N 1 0 377.286 2.852 20 0 GFADRO [NH3+]CCCOC1CCN(C(=O)[C@@H]2CCOc3ccc(Br)cc32)CC1 ZINC000653055022 565952825 /nfs/dbraw/zinc/95/28/25/565952825.db2.gz IQMNHAHWQAVZKW-OAHLLOKOSA-N 1 0 397.313 2.672 20 0 GFADRO C[NH+](C)CC[C@@H](N)C(=O)Nc1nc(-c2cccc(Br)c2)cs1 ZINC000653057874 565952855 /nfs/dbraw/zinc/95/28/55/565952855.db2.gz UNFWMQIWXBFETK-GFCCVEGCSA-N 1 0 383.315 2.790 20 0 GFADRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)c1ccc2cncc(Br)c2n1 ZINC000631321376 565953656 /nfs/dbraw/zinc/95/36/56/565953656.db2.gz JYJVVUWSPKAZCQ-GFCCVEGCSA-N 1 0 377.286 2.806 20 0 GFADRO O=C([C@H]1CCOc2ccc(Br)cc21)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000653143844 565956097 /nfs/dbraw/zinc/95/60/97/565956097.db2.gz FJTGTCAPIKIFOW-GUTXKFCHSA-N 1 0 379.298 2.773 20 0 GFADRO C[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cccc(Cl)c2SCC(F)F)C1 ZINC000606042700 565959964 /nfs/dbraw/zinc/95/99/64/565959964.db2.gz GWPSZACILZCZLA-SNVBAGLBSA-N 1 0 391.871 2.846 20 0 GFADRO CCn1cc(Br)cc1C(=O)N1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000653262289 565960616 /nfs/dbraw/zinc/96/06/16/565960616.db2.gz BZAPFRAZXYJNRT-FMKPAKJESA-N 1 0 384.318 2.772 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2C(=O)C(=O)c2ccc(Br)cc2)C1 ZINC000653262626 565960665 /nfs/dbraw/zinc/96/06/65/565960665.db2.gz GSPWGFQVMRARMQ-OAGGEKHMSA-N 1 0 395.297 2.519 20 0 GFADRO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCCN2C(=O)Cc2cccc(Br)c2)C1 ZINC000653266077 565960733 /nfs/dbraw/zinc/96/07/33/565960733.db2.gz XFCYQWHYNFDBCR-IXDOHACOSA-N 1 0 381.314 2.879 20 0 GFADRO C[C@@H](CNC(=O)c1cc(=O)[nH]c2ccc(Br)cc21)[NH+]1CCCC1 ZINC000606366303 565962343 /nfs/dbraw/zinc/96/23/43/565962343.db2.gz DVLRIRVZQIHUPL-NSHDSACASA-N 1 0 378.270 2.917 20 0 GFADRO C[C@@H]1CC[N@H+](C)CCN1C(=O)c1cc(=O)[nH]c2ccc(Br)cc21 ZINC000606372065 565962408 /nfs/dbraw/zinc/96/24/08/565962408.db2.gz UMKLMXKRDZDCLY-LLVKDONJSA-N 1 0 378.270 2.869 20 0 GFADRO CS(=O)(=O)CC1CCC([NH2+][C@@H](CO)c2cccc(C(F)(F)F)c2)CC1 ZINC000631662847 565966478 /nfs/dbraw/zinc/96/64/78/565966478.db2.gz WRDHAJLNFTUBCH-MOQPWLNLSA-N 1 0 379.444 2.932 20 0 GFADRO O=C(NCc1n[nH]cc1Br)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000606515516 565967015 /nfs/dbraw/zinc/96/70/15/565967015.db2.gz IPEKSPOIXBBIEE-UHFFFAOYSA-N 1 0 392.301 2.767 20 0 GFADRO C[C@@H](NC(=O)NCCOc1cccc(Br)c1)C1CC[NH+](C)CC1 ZINC000606649792 565968531 /nfs/dbraw/zinc/96/85/31/565968531.db2.gz KAOGXGDKXXYMBW-CYBMUJFWSA-N 1 0 384.318 2.857 20 0 GFADRO C[NH+](C)CCCS(=O)(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000631728416 565970320 /nfs/dbraw/zinc/97/03/20/565970320.db2.gz PCJKPWJPSOXVHV-UWVGGRQHSA-N 1 0 384.386 2.767 20 0 GFADRO CN(Cc1cc(Br)cs1)S(=O)(=O)CCC[NH+]1CCCC1 ZINC000631758631 565972452 /nfs/dbraw/zinc/97/24/52/565972452.db2.gz GBSDQISOMXNAST-UHFFFAOYSA-N 1 0 381.361 2.758 20 0 GFADRO C[C@H]1CCC[N@H+](Cc2ccccc2CNS(=O)(=O)c2c[nH]c(=O)s2)C1 ZINC000631755351 565972732 /nfs/dbraw/zinc/97/27/32/565972732.db2.gz AGJFZCSFBKSNNI-ZDUSSCGKSA-N 1 0 381.523 2.559 20 0 GFADRO CCN([C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1)S(=O)(=O)c1c[nH]c(=O)s1 ZINC000631783081 565974894 /nfs/dbraw/zinc/97/48/94/565974894.db2.gz IEHSOKWFCRFDAW-HIFRSBDPSA-N 1 0 381.523 2.695 20 0 GFADRO O=S(=O)(C[C@@H]1CCC1(F)F)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000631847254 565978222 /nfs/dbraw/zinc/97/82/22/565978222.db2.gz QPRXVZUZCIEFRN-KBPBESRZSA-N 1 0 378.510 2.925 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)N(C)Cc2c(F)cccc2Cl)C[C@H]1C ZINC000607161331 565979140 /nfs/dbraw/zinc/97/91/40/565979140.db2.gz QFWSYJMMUGEIMJ-KGLIPLIRSA-N 1 0 391.940 2.960 20 0 GFADRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3cc(Br)c4nccn4c3)CC[C@H]21 ZINC000631881820 565980241 /nfs/dbraw/zinc/98/02/41/565980241.db2.gz JWDISEOVRBWIHC-SWLSCSKDSA-N 1 0 377.286 2.653 20 0 GFADRO [NH3+]C[C@H]1CCN(S(=O)(=O)c2csnc2-c2cccc(C(F)(F)F)c2)C1 ZINC000631902579 565982261 /nfs/dbraw/zinc/98/22/61/565982261.db2.gz LTPJHIUBGPDEFI-SNVBAGLBSA-N 1 0 391.440 2.798 20 0 GFADRO C[C@H](NS(=O)(=O)CCCN1CC[NH+](C)CC1)c1cc2ccccc2s1 ZINC000631918439 565983564 /nfs/dbraw/zinc/98/35/64/565983564.db2.gz CJVLKMIBNGQLQN-HNNXBMFYSA-N 1 0 381.567 2.519 20 0 GFADRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNS(=O)(=O)Cc1ncsc1Br ZINC000631920795 565983589 /nfs/dbraw/zinc/98/35/89/565983589.db2.gz GRHPTHVGHCZJRV-GHMZBOCLSA-N 1 0 396.376 2.588 20 0 GFADRO CCC(C)(C)[NH+]1CCN([C@H](C(N)=O)c2ccc(Br)cc2F)CC1 ZINC000653810365 565984217 /nfs/dbraw/zinc/98/42/17/565984217.db2.gz AKLBIQVDOJEVFS-HNNXBMFYSA-N 1 0 386.309 2.921 20 0 GFADRO O=S(=O)(c1ccc(C(F)(F)C(F)(F)F)cc1)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000631932462 565984700 /nfs/dbraw/zinc/98/47/00/565984700.db2.gz VITHLWOWQGPNGF-GWCFXTLKSA-N 1 0 384.370 2.713 20 0 GFADRO Cc1cc(Cl)c(Br)cc1S(=O)(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000631945505 565985610 /nfs/dbraw/zinc/98/56/10/565985610.db2.gz AJGWNMCNVNTNEM-UHFFFAOYSA-N 1 0 393.734 2.928 20 0 GFADRO O=C([C@H]1CCC[N@@H+](CCOc2cc(Cl)cc(Cl)c2)C1)N1CCOCC1 ZINC000607726037 565988837 /nfs/dbraw/zinc/98/88/37/565988837.db2.gz VDPLODAYPFHUQA-AWEZNQCLSA-N 1 0 387.307 2.943 20 0 GFADRO CN(C)c1cccc(C[NH+]2CCC(NS(=O)(=O)c3cccs3)CC2)c1 ZINC000607724033 565989367 /nfs/dbraw/zinc/98/93/67/565989367.db2.gz OAQKQTLZEXNBCF-UHFFFAOYSA-N 1 0 379.551 2.757 20 0 GFADRO O=S(=O)(c1cccc(Cl)c1Br)N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631992702 565989832 /nfs/dbraw/zinc/98/98/32/565989832.db2.gz FCQYHCBFZIHKMG-PWSUYJOCSA-N 1 0 393.734 2.865 20 0 GFADRO Brc1ccc(C2([NH2+]C[C@H]3CNc4ccnn4C3)CCOCC2)cc1 ZINC000608060286 566000747 /nfs/dbraw/zinc/00/07/47/566000747.db2.gz UFGIEDNAGXXRGD-CQSZACIVSA-N 1 0 391.313 2.983 20 0 GFADRO C[C@H](C(=O)NCCCN1CCC[N@H+](C)CC1)c1ccc(Br)s1 ZINC000608134736 566005098 /nfs/dbraw/zinc/00/50/98/566005098.db2.gz UUWMBYILGJCEDY-ZDUSSCGKSA-N 1 0 388.375 2.758 20 0 GFADRO CO[C@@H](C(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1)c1ccccc1Br ZINC000654406725 566008772 /nfs/dbraw/zinc/00/87/72/566008772.db2.gz DYKTUQDQHWNBPR-WMLDXEAASA-N 1 0 399.329 2.610 20 0 GFADRO C[NH+]1CCN(C(C)(C)CNC(=O)Nc2ccc(F)c(Br)c2)CC1 ZINC000608336208 566010937 /nfs/dbraw/zinc/01/09/37/566010937.db2.gz HASZTOYVQNNDHN-UHFFFAOYSA-N 1 0 387.297 2.736 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)N2CCOc3cccc(Br)c3C2)C[N@@H+]1C1CC1 ZINC000654481857 566011092 /nfs/dbraw/zinc/01/10/92/566011092.db2.gz QHHXIOSQIFLTFB-CHWSQXEVSA-N 1 0 394.313 2.978 20 0 GFADRO C[NH+]1CCN(C(C)(C)CNC(=O)Nc2ccc(Br)c(F)c2)CC1 ZINC000608328507 566011433 /nfs/dbraw/zinc/01/14/33/566011433.db2.gz NIBDGCUHNLACSD-UHFFFAOYSA-N 1 0 387.297 2.736 20 0 GFADRO C[C@H]([NH2+]CCCN1CCCS1(=O)=O)c1ccc(F)cc1Br ZINC000678582546 566013363 /nfs/dbraw/zinc/01/33/63/566013363.db2.gz KJESEJXZFRWJDW-NSHDSACASA-N 1 0 379.295 2.664 20 0 GFADRO C[C@H]([NH2+]CCCN1CCCS1(=O)=O)c1ccc(Br)c(F)c1 ZINC000678581892 566013730 /nfs/dbraw/zinc/01/37/30/566013730.db2.gz DJKXYCCXUJHOLU-NSHDSACASA-N 1 0 379.295 2.664 20 0 GFADRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)N[C@H]2CCN(c3cccc(Br)c3)C2)C1 ZINC000654547809 566013913 /nfs/dbraw/zinc/01/39/13/566013913.db2.gz FZQHDGGSLRUAES-JLJPHGGASA-N 1 0 395.345 2.667 20 0 GFADRO CC1(C)CCC[N@@H+]1CCNC(=O)c1cnc2ncc(Br)cc2c1 ZINC000654534338 566013964 /nfs/dbraw/zinc/01/39/64/566013964.db2.gz SWQMXIGBHLJIIY-UHFFFAOYSA-N 1 0 377.286 2.997 20 0 GFADRO C[C@H](CNC(=O)N[C@H]1CC[N@H+](CC2CC2)C1)Oc1ccc(Br)cc1 ZINC000608437992 566014202 /nfs/dbraw/zinc/01/42/02/566014202.db2.gz VURYJORWLMXIRQ-CJNGLKHVSA-N 1 0 396.329 3.000 20 0 GFADRO O=C(C[NH+]1C2CCCC1CCC2)NCC(=O)Nc1ccccc1Br ZINC000608565032 566017188 /nfs/dbraw/zinc/01/71/88/566017188.db2.gz NHUCASJENPBCSV-UHFFFAOYSA-N 1 0 394.313 2.911 20 0 GFADRO CN(CCOc1ccc(Br)cc1)C(=O)C[NH2+]C1(CO)CCCCC1 ZINC000678973293 566027246 /nfs/dbraw/zinc/02/72/46/566027246.db2.gz YFWGHMRVGFPVHP-UHFFFAOYSA-N 1 0 399.329 2.571 20 0 GFADRO CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc(Br)cc1F ZINC000632408646 566029612 /nfs/dbraw/zinc/02/96/12/566029612.db2.gz PMVMNSDEUMAWIL-UHFFFAOYSA-N 1 0 379.295 2.693 20 0 GFADRO O=S1(=O)CC[C@H](C[NH2+][C@@H](c2ccc(Br)cc2)[C@@H]2CCCO2)C1 ZINC000679330746 566038350 /nfs/dbraw/zinc/03/83/50/566038350.db2.gz QSIZKQSFTBJDBZ-KCXAZCMYSA-N 1 0 388.327 2.694 20 0 GFADRO Cc1nc(CS(=O)(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)cs1 ZINC000632616674 566050858 /nfs/dbraw/zinc/05/08/58/566050858.db2.gz HIBQBTGDTQPENH-YOEHRIQHSA-N 1 0 379.551 2.639 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)CCC[N@H+]1C[C@H](CO)OC[C@H]1C ZINC000679820209 566053968 /nfs/dbraw/zinc/05/39/68/566053968.db2.gz YTVHWZSHBYQBIW-GDBMZVCRSA-N 1 0 399.329 2.866 20 0 GFADRO CSc1cc(Br)ccc1C(=O)NC[C@@](C)(O)CC[NH+](C)C ZINC000655393198 566055488 /nfs/dbraw/zinc/05/54/88/566055488.db2.gz SYAZLIRNBVWRBV-HNNXBMFYSA-N 1 0 375.332 2.604 20 0 GFADRO Cc1c(Br)cccc1CS(=O)(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000655477530 566058420 /nfs/dbraw/zinc/05/84/20/566058420.db2.gz POXFJUATTZCNRM-CVEARBPZSA-N 1 0 387.343 2.804 20 0 GFADRO O=C(NCc1nc(-c2cccc(Br)c2)no1)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC000655477799 566058882 /nfs/dbraw/zinc/05/88/82/566058882.db2.gz ZHODISYSCBXBDD-CXAGYDPISA-N 1 0 391.269 2.505 20 0 GFADRO C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000655508115 566060864 /nfs/dbraw/zinc/06/08/64/566060864.db2.gz BLCZXAVLTCMLSE-LDWIPMOCSA-N 1 0 389.599 2.876 20 0 GFADRO Cc1sc2nc(C)nc(SCC(=O)N[C@H](C[NH3+])C(F)(F)F)c2c1C ZINC000655507445 566060971 /nfs/dbraw/zinc/06/09/71/566060971.db2.gz SRTCBJPBIDYTNC-SECBINFHSA-N 1 0 378.445 2.714 20 0 GFADRO O=C(NCCCc1cccc(Br)c1)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000655505861 566061565 /nfs/dbraw/zinc/06/15/65/566061565.db2.gz VFNNITXATOJLID-KRWDZBQOSA-N 1 0 398.345 2.528 20 0 GFADRO CC(C)(C)C(=O)NCc1ccc(Cl)c(C(=O)N[C@H](C[NH3+])C(F)(F)F)c1 ZINC000655519398 566062046 /nfs/dbraw/zinc/06/20/46/566062046.db2.gz SVTLEZPIZZCOII-GFCCVEGCSA-N 1 0 379.810 2.622 20 0 GFADRO Cc1cc(C(=O)N[C@H](C[NH3+])C(F)(F)F)nn1-c1ccc(Br)cc1 ZINC000655513560 566062719 /nfs/dbraw/zinc/06/27/19/566062719.db2.gz ZGDQYQMXJHFPML-GFCCVEGCSA-N 1 0 391.191 2.563 20 0 GFADRO COc1ccc(CCC(=O)N2CCC[C@@H]3C[NH2+]CC[C@@H]32)c(Br)c1 ZINC000632864973 566072524 /nfs/dbraw/zinc/07/25/24/566072524.db2.gz OFMTWYWBMLONSS-PBHICJAKSA-N 1 0 381.314 2.991 20 0 GFADRO C[C@H]1C[C@@H]([NH3+])CN1C(=O)Nc1ccnn1Cc1cccc(Br)c1 ZINC000632937306 566075084 /nfs/dbraw/zinc/07/50/84/566075084.db2.gz YOUNYMWAVSMZFE-SMDDNHRTSA-N 1 0 378.274 2.647 20 0 GFADRO O=C(N[C@@H](c1ccc(Cl)cc1)C(F)(F)F)N1CCC([NH2+]CCO)CC1 ZINC000632936271 566075672 /nfs/dbraw/zinc/07/56/72/566075672.db2.gz YCIOFMSBPPBVMX-AWEZNQCLSA-N 1 0 379.810 2.699 20 0 GFADRO O=C(Nc1cnc2c(c1)C[NH2+]CC2)N[C@@H]1[C@H]2Cc3c(cccc3Br)[C@@H]12 ZINC000632949606 566076258 /nfs/dbraw/zinc/07/62/58/566076258.db2.gz GHLXGUNYCZJUOY-BMGDILEWSA-N 1 0 399.292 2.950 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)N[C@@H]2[C@H]3Cc4c(cccc4Br)[C@@H]23)CC[N@@H+]1C ZINC000633095180 566083857 /nfs/dbraw/zinc/08/38/57/566083857.db2.gz ZXGMWTGTALUINR-DXBBQBAWSA-N 1 0 378.314 2.869 20 0 GFADRO CN1CC[NH+]([C@H]2CC[C@@H](NC(=O)c3cc(F)ccc3Br)CC2)CC1 ZINC000680841633 566083970 /nfs/dbraw/zinc/08/39/70/566083970.db2.gz VMZFERBXNPAJMZ-GASCZTMLSA-N 1 0 398.320 2.877 20 0 GFADRO O[C@H](COc1ccc(Cl)c(Cl)c1)CN1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000680857720 566084830 /nfs/dbraw/zinc/08/48/30/566084830.db2.gz PLGTURKKPJJALI-HOCLYGCPSA-N 1 0 389.323 2.530 20 0 GFADRO Cc1nn(-c2cccc(Br)c2)cc1C[NH2+][C@H](C)[C@H]1CN(C)CCO1 ZINC000655747773 566086040 /nfs/dbraw/zinc/08/60/40/566086040.db2.gz WUJYVTURUTYBIU-RDTXWAMCSA-N 1 0 393.329 2.752 20 0 GFADRO O=C(Nc1cccc(C[N@H+]2CC[C@H](O)C2)c1)c1c(F)cncc1Br ZINC000633157273 566086583 /nfs/dbraw/zinc/08/65/83/566086583.db2.gz MUPFFBKMANADQK-ZDUSSCGKSA-N 1 0 394.244 2.802 20 0 GFADRO NC(=O)Cc1ccc(C[NH2+]Cc2cc(Br)cc3c2OCC3)cc1 ZINC000680886998 566086876 /nfs/dbraw/zinc/08/68/76/566086876.db2.gz ZCQPNDUYBLKXOM-UHFFFAOYSA-N 1 0 375.266 2.702 20 0 GFADRO Cc1nn(-c2ccccc2Br)cc1C[NH2+][C@@H](CO)C1CCOCC1 ZINC000655757914 566087484 /nfs/dbraw/zinc/08/74/84/566087484.db2.gz MIGNKUJSPREYFB-KRWDZBQOSA-N 1 0 394.313 2.820 20 0 GFADRO Cc1nn(-c2cccc(Br)c2)cc1C[NH2+][C@]1(CCO)CCOC1 ZINC000655766512 566087500 /nfs/dbraw/zinc/08/75/00/566087500.db2.gz HQXWJPFFDLBHRG-QGZVFWFLSA-N 1 0 380.286 2.574 20 0 GFADRO C[N@@H+]1CCC[C@H](NC(=O)Nc2ccc(F)cc2I)C1 ZINC000610565646 566087717 /nfs/dbraw/zinc/08/77/17/566087717.db2.gz QHTNQVOGBWCOCO-JTQLQIEISA-N 1 0 377.201 2.646 20 0 GFADRO Cc1nn(-c2cccc(Br)c2)cc1C[NH2+]CC(C)(C)OCCO ZINC000655774725 566088337 /nfs/dbraw/zinc/08/83/37/566088337.db2.gz FMJBUJUYWJVHAZ-UHFFFAOYSA-N 1 0 382.302 2.820 20 0 GFADRO COC[C@@](C)(O)CC[NH2+]Cc1cn(-c2ccccc2Br)nc1C ZINC000655776907 566088828 /nfs/dbraw/zinc/08/88/28/566088828.db2.gz NEJONVPYKNORFG-KRWDZBQOSA-N 1 0 382.302 2.820 20 0 GFADRO CCN1C[C@@H]([NH2+]Cc2cn(-c3cccc(Br)c3)nc2C)CC1=O ZINC000655778293 566088922 /nfs/dbraw/zinc/08/89/22/566088922.db2.gz GTCBIOKFRUQJBO-HNNXBMFYSA-N 1 0 377.286 2.654 20 0 GFADRO C[C@@H](NC(=O)N1CCC(C)([NH+]2CCCC2)CC1)c1ncc(Br)cn1 ZINC000633261966 566092639 /nfs/dbraw/zinc/09/26/39/566092639.db2.gz HWLPHNYNKHVOFV-CYBMUJFWSA-N 1 0 396.333 2.960 20 0 GFADRO [NH3+]C[C@@H](NC(=O)N[C@H](CO)c1ccc(Cl)cc1C(F)(F)F)C(F)(F)F ZINC000655927410 566096817 /nfs/dbraw/zinc/09/68/17/566096817.db2.gz IRTMIWQZAGAJCR-NXEZZACHSA-N 1 0 393.715 2.581 20 0 GFADRO Cc1c(Br)cccc1CS(=O)(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000655949736 566097531 /nfs/dbraw/zinc/09/75/31/566097531.db2.gz AOXIMLLMUBYVJW-BJJXKVORSA-N 1 0 387.343 2.647 20 0 GFADRO Cc1c(Br)cccc1CS(=O)(=O)N1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000655950455 566097812 /nfs/dbraw/zinc/09/78/12/566097812.db2.gz HRZCXXUJFAZCPJ-SMDDNHRTSA-N 1 0 375.332 2.504 20 0 GFADRO Cc1c(Br)cccc1CS(=O)(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000655950453 566098136 /nfs/dbraw/zinc/09/81/36/566098136.db2.gz HRZCXXUJFAZCPJ-FZMZJTMJSA-N 1 0 375.332 2.504 20 0 GFADRO Cc1c(Br)cccc1CS(=O)(=O)N1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000655949623 566098230 /nfs/dbraw/zinc/09/82/30/566098230.db2.gz ZRZXNNLUEJSCNG-IUODEOHRSA-N 1 0 375.332 2.789 20 0 GFADRO Cc1c(Br)cccc1CS(=O)(=O)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000655950530 566099484 /nfs/dbraw/zinc/09/94/84/566099484.db2.gz NBIOCHZPWTUWIQ-OLZOCXBDSA-N 1 0 375.332 2.565 20 0 GFADRO O=C(NCCC[C@@H]1CCC[NH2+]1)N1CCOc2cccc(Br)c2C1 ZINC000655969334 566100021 /nfs/dbraw/zinc/10/00/21/566100021.db2.gz HIIIEHJAZQOBSB-ZDUSSCGKSA-N 1 0 382.302 2.885 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)NCCCc2c(Cl)cccc2Cl)C1 ZINC000656029607 566101421 /nfs/dbraw/zinc/10/14/21/566101421.db2.gz ARRFJJGOQBWPET-STQMWFEESA-N 1 0 386.323 2.628 20 0 GFADRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NCCCc1c(Cl)cccc1Cl ZINC000656022272 566101509 /nfs/dbraw/zinc/10/15/09/566101509.db2.gz DUMXRZJJBKCIOF-LRDDRELGSA-N 1 0 386.323 2.676 20 0 GFADRO C[N@@H+]1CCCC[C@@H](CNC(=O)c2ccc3cncc(Br)c3n2)C1 ZINC000633679673 566113002 /nfs/dbraw/zinc/11/30/02/566113002.db2.gz UAYCJLJHIPCHOO-LBPRGKRZSA-N 1 0 377.286 2.854 20 0 GFADRO NS(=O)(=O)c1ccc(N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)c(C(F)(F)F)c1 ZINC000656228075 566114135 /nfs/dbraw/zinc/11/41/35/566114135.db2.gz VEIUMSQWXOOLDR-HUUCEWRRSA-N 1 0 377.432 2.782 20 0 GFADRO COc1cc2[nH+]ccc(N[C@H]3CCc4c(nnn4C)C3)c2cc1Br ZINC000656220720 566114189 /nfs/dbraw/zinc/11/41/89/566114189.db2.gz VNJOBPLUEKJJBA-JTQLQIEISA-N 1 0 388.269 2.526 20 0 GFADRO O=C(C[NH2+]C1(CO)CCCCC1)Nc1cccc(I)c1 ZINC000611462837 566131579 /nfs/dbraw/zinc/13/15/79/566131579.db2.gz DDIFREDAHAGXHG-UHFFFAOYSA-N 1 0 388.249 2.515 20 0 GFADRO C[NH+]1CCN(C(C)(C)CNC(=O)NCCSc2ccc(Cl)cc2)CC1 ZINC000611728061 566140417 /nfs/dbraw/zinc/14/04/17/566140417.db2.gz DKEFYJNRLRPFQN-UHFFFAOYSA-N 1 0 384.977 2.757 20 0 GFADRO CC(C)[NH2+][C@H]1CCCN(C[C@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000682218112 566148155 /nfs/dbraw/zinc/14/81/55/566148155.db2.gz DCAHBZQMLLEJNO-HOTGVXAUSA-N 1 0 389.309 2.790 20 0 GFADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)Nc1cc(C)cc(Br)c1 ZINC000682273688 566148716 /nfs/dbraw/zinc/14/87/16/566148716.db2.gz NGSOXPOVHMBRTJ-AWEZNQCLSA-N 1 0 382.302 2.687 20 0 GFADRO CCN1CC[C@@H]([NH2+]CC2(c3cccc(Br)c3)CCOCC2)C1=O ZINC000656674804 566154334 /nfs/dbraw/zinc/15/43/34/566154334.db2.gz ZVQNYNWLOPNGNN-MRXNPFEDSA-N 1 0 381.314 2.708 20 0 GFADRO C[C@@H](c1ccc(Br)cc1)N1CC[NH+](C[C@]2(O)CCCOC2)CC1 ZINC000656700045 566156276 /nfs/dbraw/zinc/15/62/76/566156276.db2.gz WYOXJHYEQIYGSW-MAUKXSAKSA-N 1 0 383.330 2.669 20 0 GFADRO CN(C)c1cc[nH+]c(NC(=O)Cc2cccc(I)c2)c1 ZINC000612346668 566158798 /nfs/dbraw/zinc/15/87/98/566158798.db2.gz MHGMSPYBFQFOJP-UHFFFAOYSA-N 1 0 381.217 2.933 20 0 GFADRO CC(C)[NH+]1CCC(N2C(=O)N[C@H](c3ccccc3Br)C2=O)CC1 ZINC000656794207 566164720 /nfs/dbraw/zinc/16/47/20/566164720.db2.gz LYPCFCKWJOZNQX-OAHLLOKOSA-N 1 0 380.286 2.915 20 0 GFADRO Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+]CCn2ccc(C(F)(F)F)n2)cc1 ZINC000634686409 566169503 /nfs/dbraw/zinc/16/95/03/566169503.db2.gz KCCHUZHUWHBPMB-ZDUSSCGKSA-N 1 0 375.416 2.662 20 0 GFADRO OCC[C@H]1CCC[N@H+](Cc2ccc(Br)cc2N2CCOCC2)C1 ZINC000682778611 566169842 /nfs/dbraw/zinc/16/98/42/566169842.db2.gz NFJCCUZWZDEFMF-OAHLLOKOSA-N 1 0 383.330 2.880 20 0 GFADRO CCN([C@H]1CC[N@H+](Cc2ccccc2)C1)S(=O)(=O)Cc1csc(C)n1 ZINC000682837921 566172089 /nfs/dbraw/zinc/17/20/89/566172089.db2.gz XPNSMEOZVCYLGL-SFHVURJKSA-N 1 0 379.551 2.878 20 0 GFADRO CC[NH+](CC)CCN(CCC(F)(F)F)S(=O)(=O)Cc1csc(C)n1 ZINC000682834886 566172155 /nfs/dbraw/zinc/17/21/55/566172155.db2.gz DSZJXLJUCYETBE-UHFFFAOYSA-N 1 0 387.493 2.878 20 0 GFADRO CC(=O)Nc1ccc(C[NH2+]C[C@H](O)COc2cc(Cl)cc(Cl)c2)cn1 ZINC000634713435 566172374 /nfs/dbraw/zinc/17/23/74/566172374.db2.gz VQEFFCYQWFOPDX-HNNXBMFYSA-N 1 0 384.263 2.876 20 0 GFADRO O[C@H](C[NH2+]C[C@@H](n1cncn1)C(F)(F)F)COc1ccc(Cl)c(Cl)c1 ZINC000634725769 566173649 /nfs/dbraw/zinc/17/36/49/566173649.db2.gz CNINGKAIXGTEMK-NOZJJQNGSA-N 1 0 399.200 2.718 20 0 GFADRO C[C@H](Cc1ccc(Br)cc1)[NH2+][C@@H]1C[C@H](C)N(c2cnn(C)c2)C1=O ZINC000682911300 566175522 /nfs/dbraw/zinc/17/55/22/566175522.db2.gz RSDIKVBPOMWJSZ-IIYDPXPESA-N 1 0 391.313 2.897 20 0 GFADRO Cc1ccc(C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)c(C)c1Br ZINC000682900543 566176192 /nfs/dbraw/zinc/17/61/92/566176192.db2.gz XHFKOEJDEYOKQV-CYBMUJFWSA-N 1 0 382.346 2.679 20 0 GFADRO Cc1cc(F)c(Br)cc1S(=O)(=O)NC[C@@H](C)[NH+]1CCCC1 ZINC000682927727 566177578 /nfs/dbraw/zinc/17/75/78/566177578.db2.gz YTZAZRIQBKMPQI-LLVKDONJSA-N 1 0 379.295 2.659 20 0 GFADRO CN(CCOc1ccc(Br)cc1)C(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000612965094 566180562 /nfs/dbraw/zinc/18/05/62/566180562.db2.gz XEYRMEUMFGWBHX-OAHLLOKOSA-N 1 0 382.302 2.611 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)NCCn1ccc(C(F)(F)F)n1)c1ccsc1 ZINC000634814574 566181165 /nfs/dbraw/zinc/18/11/65/566181165.db2.gz BNSMXBBJMNKWJH-LBPRGKRZSA-N 1 0 375.420 2.566 20 0 GFADRO Cc1ccc(CNC(=O)NCC2([NH+](C)C)CCOCC2)cc1Br ZINC000634864881 566181541 /nfs/dbraw/zinc/18/15/41/566181541.db2.gz XXGVTQACIPDOOP-UHFFFAOYSA-N 1 0 384.318 2.668 20 0 GFADRO O=C(N[C@@H]1CC12CC[NH2+]CC2)N1CCN(c2c(Cl)cccc2Cl)CC1 ZINC000612980243 566181600 /nfs/dbraw/zinc/18/16/00/566181600.db2.gz NUQIKBZZDRPJRB-OAHLLOKOSA-N 1 0 383.323 2.967 20 0 GFADRO CC[NH+](CC)[C@@H]1CCN(S(=O)(=O)Cc2cc(F)ccc2Br)C1 ZINC000656923366 566184096 /nfs/dbraw/zinc/18/40/96/566184096.db2.gz RWEYOSYKELWJOG-CQSZACIVSA-N 1 0 393.322 2.834 20 0 GFADRO O=S1(=O)CCC[C@H]([NH2+][C@H]2CCN(c3ccc(Br)cc3)C2)CC1 ZINC000634959456 566185979 /nfs/dbraw/zinc/18/59/79/566185979.db2.gz RNKMWRDJBYWTBB-GJZGRUSLSA-N 1 0 387.343 2.585 20 0 GFADRO C[NH+](C)CCNC(=O)c1ccc(NC(=O)C(=O)c2ccc(Cl)s2)cc1 ZINC000683194589 566187508 /nfs/dbraw/zinc/18/75/08/566187508.db2.gz RPUFDMSPLFVWJM-UHFFFAOYSA-N 1 0 379.869 2.514 20 0 GFADRO C[N@@H+]1CCCC12CCN(C(=O)c1cc(Br)cc3c1OCCO3)CC2 ZINC000613232195 566189508 /nfs/dbraw/zinc/18/95/08/566189508.db2.gz NYBFWPQWOGYHLG-UHFFFAOYSA-N 1 0 395.297 2.921 20 0 GFADRO CC(C)[N@H+](C)C[C@H](C)NS(=O)(=O)Cc1cc(F)ccc1Br ZINC000656990376 566201024 /nfs/dbraw/zinc/20/10/24/566201024.db2.gz DYWPOFGCZOKRHT-NSHDSACASA-N 1 0 381.311 2.736 20 0 GFADRO O=S(=O)(NCC1CC[NH+](C2CCOCC2)CC1)c1ccc(Cl)c(F)c1 ZINC000657041770 566211451 /nfs/dbraw/zinc/21/14/51/566211451.db2.gz IKRLEWXQQIYVSI-UHFFFAOYSA-N 1 0 390.908 2.648 20 0 GFADRO Cc1cc(Br)sc1S(=O)(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000657059556 566214796 /nfs/dbraw/zinc/21/47/96/566214796.db2.gz HZLZZPJBKLQWJH-JTQLQIEISA-N 1 0 381.361 2.970 20 0 GFADRO COc1ccc(S(=O)(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)cc1Br ZINC000657059020 566215106 /nfs/dbraw/zinc/21/51/06/566215106.db2.gz XGSSVMXBTHVEGS-LLVKDONJSA-N 1 0 391.331 2.609 20 0 GFADRO COCCOCC[N@H+](C)CCC(=O)N[C@H]1CCc2c1cccc2Br ZINC000635492327 566217278 /nfs/dbraw/zinc/21/72/78/566217278.db2.gz XYDJUCBRXQZYJS-KRWDZBQOSA-N 1 0 399.329 2.538 20 0 GFADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)c3cc(F)c(Cl)c(N)c3Cl)CC2)C1 ZINC000635570545 566219522 /nfs/dbraw/zinc/21/95/22/566219522.db2.gz FQOBJSYWFKBIDG-NSHDSACASA-N 1 0 389.302 2.567 20 0 GFADRO C[C@H](CCNS(=O)(=O)c1cc(Cl)c(Br)cc1F)[NH+](C)C ZINC000657093396 566222022 /nfs/dbraw/zinc/22/20/22/566222022.db2.gz WMYRPYVIZWFDNA-MRVPVSSYSA-N 1 0 387.702 2.860 20 0 GFADRO CC[NH+](CC)CCS(=O)(=O)N1CCc2nc(-c3ccccc3)sc2C1 ZINC000657113809 566224718 /nfs/dbraw/zinc/22/47/18/566224718.db2.gz IVOGJUPWLLXDBP-UHFFFAOYSA-N 1 0 379.551 2.840 20 0 GFADRO Cc1nc(CS(=O)(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cs1 ZINC000684101938 566226393 /nfs/dbraw/zinc/22/63/93/566226393.db2.gz IZJBKSURMGQADW-RHSMWYFYSA-N 1 0 379.551 2.924 20 0 GFADRO Cc1nc(CS(=O)(=O)NC[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)cs1 ZINC000684106819 566227776 /nfs/dbraw/zinc/22/77/76/566227776.db2.gz ZDRKMAVCPJKESN-SFHVURJKSA-N 1 0 379.551 2.782 20 0 GFADRO C[C@@H](C(=O)N[C@@H](CO)c1ccc(Br)cc1C(F)(F)F)[NH+](C)C ZINC000684527857 566237475 /nfs/dbraw/zinc/23/74/75/566237475.db2.gz CPWLPJTZWXSJSU-UFBFGSQYSA-N 1 0 383.208 2.568 20 0 GFADRO C[C@@H]([NH2+]C1(CNc2ccc(-c3nn[nH]n3)cn2)CCOCC1)c1ccccc1 ZINC000736129033 598831445 /nfs/dbraw/zinc/83/14/45/598831445.db2.gz AHISDPDMULGXRV-OAHLLOKOSA-N 1 0 379.468 2.574 20 0 GFADRO C[C@@]1(c2ccccc2)CCC[N@H+](CC(=O)NCc2cccc(-c3nn[nH]n3)c2)C1 ZINC000736230471 598832997 /nfs/dbraw/zinc/83/29/97/598832997.db2.gz RKJADNHNGFLOKE-JOCHJYFZSA-N 1 0 390.491 2.537 20 0 GFADRO Cc1ccc(C[C@@H]2CCC[N@@H+]2C[C@H](O)COc2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000737336170 598833895 /nfs/dbraw/zinc/83/38/95/598833895.db2.gz YIVANWSPPVQODK-PMACEKPBSA-N 1 0 393.491 2.622 20 0 GFADRO CCS[C@@H]1CCCC[N@H+](Cn2c(C)nnc2-c2cccc(-c3nn[nH]n3)c2)C1 ZINC000736663361 598852994 /nfs/dbraw/zinc/85/29/94/598852994.db2.gz FASORSNJEZGMOE-QGZVFWFLSA-N 1 0 398.540 2.999 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(c2nc3c(cc2-c2nn[nH]n2)CCC3)C1 ZINC000736267269 598870051 /nfs/dbraw/zinc/87/00/51/598870051.db2.gz MOKKPCOXOHBJFV-HZPDHXFCSA-N 1 0 381.528 2.841 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)Nc2cccc(-c3nn[nH]n3)c2)C1 ZINC000736268910 598876781 /nfs/dbraw/zinc/87/67/81/598876781.db2.gz VMFNQWGCPNUQKR-HZPDHXFCSA-N 1 0 383.500 2.985 20 0 GFADRO c1csc(C2(C[NH2+]C[C@H]3CNc4c(-c5nn[nH]n5)cnn4C3)CCCCC2)c1 ZINC000738452278 598888183 /nfs/dbraw/zinc/88/81/83/598888183.db2.gz NOYQDDABBJQAJD-AWEZNQCLSA-N 1 0 398.540 2.658 20 0 GFADRO OCC[N@H+](CCOc1ccc(-c2nn[nH]n2)cc1)[C@@H]1CCCc2ccccc21 ZINC000738393697 598897907 /nfs/dbraw/zinc/89/79/07/598897907.db2.gz MKCMJCPQAUETRP-HXUWFJFHSA-N 1 0 379.464 2.617 20 0 GFADRO C[NH+](C)Cc1c2ccccc2oc1C(=O)NCc1ccc(-c2nn[nH]n2)cc1F ZINC000736771164 598905517 /nfs/dbraw/zinc/90/55/17/598905517.db2.gz INDQXFAJRJORRN-UHFFFAOYSA-N 1 0 394.410 2.744 20 0 GFADRO CC[C@H]1c2ccccc2CC[N@H+]1C[C@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000736405237 598916514 /nfs/dbraw/zinc/91/65/14/598916514.db2.gz DXPKSWDYZOQTBS-PXNSSMCTSA-N 1 0 379.464 2.616 20 0 GFADRO O=C1[C@H]([N@@H+]2CCC[C@]3(CC=CCC3)C2)CCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000738290139 598919426 /nfs/dbraw/zinc/91/94/26/598919426.db2.gz NEMQPHXUDNBSAW-WIYYLYMNSA-N 1 0 378.480 2.794 20 0 GFADRO CCOc1cccc([C@H](C)[NH2+][C@H]2CCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)c1 ZINC000736654583 598960865 /nfs/dbraw/zinc/96/08/65/598960865.db2.gz KOKZEVDEHWDLMR-LIRRHRJNSA-N 1 0 392.463 2.722 20 0 GFADRO COc1cc(-c2nn[nH]n2)ccc1OCC[N@H+](C)Cc1ccc(F)c(F)c1 ZINC000737033706 598981215 /nfs/dbraw/zinc/98/12/15/598981215.db2.gz YAJMCZMUZLGFMQ-UHFFFAOYSA-N 1 0 375.379 2.664 20 0 GFADRO COc1cc(-c2nn[nH]n2)ccc1OCC[N@H+](C)CCCOc1ccccc1C ZINC000737033077 598983594 /nfs/dbraw/zinc/98/35/94/598983594.db2.gz NDWPMBZAXMOBNO-UHFFFAOYSA-N 1 0 397.479 2.963 20 0 GFADRO C[C@H]1C[N@H+](Cc2cc(-c3nn[nH]n3)ccc2F)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000736288081 598989012 /nfs/dbraw/zinc/98/90/12/598989012.db2.gz QOGXKIWWVCMBSC-LRDDRELGSA-N 1 0 390.463 2.741 20 0 GFADRO CCC[N@H+](CC(=O)Nc1sccc1-c1nn[nH]n1)[C@@H]1C[C@H](OCC)C1(C)C ZINC000736471884 598992937 /nfs/dbraw/zinc/99/29/37/598992937.db2.gz XPPBWSLFEQPCLB-KGLIPLIRSA-N 1 0 392.529 2.782 20 0 GFADRO CSC[C@H](CCO)[NH2+]Cc1cccc(OCc2cccc(-c3nn[nH]n3)c2)c1 ZINC000737175771 599010958 /nfs/dbraw/zinc/01/09/58/599010958.db2.gz HFXONQHIMZPCQU-SFHVURJKSA-N 1 0 399.520 2.649 20 0 GFADRO FC(F)(F)c1ccc(-c2nn[nH]n2)c(N[C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000737632670 599040473 /nfs/dbraw/zinc/04/04/73/599040473.db2.gz MHCPARNTODCSFO-CYBMUJFWSA-N 1 0 389.385 2.967 20 0 GFADRO O=C(CC[N@@H+]1CCSC[C@@H]1c1ccccc1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000737847379 599080833 /nfs/dbraw/zinc/08/08/33/599080833.db2.gz RDQHJHOZLZKLHH-GOSISDBHSA-N 1 0 394.504 2.985 20 0 GFADRO O=C(CC[N@@H+]1CCSC[C@H]1c1ccccc1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000737847381 599081435 /nfs/dbraw/zinc/08/14/35/599081435.db2.gz RDQHJHOZLZKLHH-SFHVURJKSA-N 1 0 394.504 2.985 20 0 GFADRO NC(=O)[C@@H]([NH2+]C1CCC(c2ccccc2)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000737730766 599088832 /nfs/dbraw/zinc/08/88/32/599088832.db2.gz LBQXXDSGLSPGDA-PPSBMQLTSA-N 1 0 376.464 2.709 20 0 GFADRO C[C@@H](c1ccc(-c2nn[nH]n2)cc1)[NH+]1CCC(C(=O)Nc2ccc(O)cc2)CC1 ZINC000736194599 599132070 /nfs/dbraw/zinc/13/20/70/599132070.db2.gz BMZOZMPPLJCMLD-AWEZNQCLSA-N 1 0 392.463 2.984 20 0 GFADRO Cc1cccc([C@@H]2CCC[N@@H+]2CC(=O)NCc2ccc(-c3nn[nH]n3)cc2)c1C ZINC000737389660 599136302 /nfs/dbraw/zinc/13/63/02/599136302.db2.gz NAEJSOBMWIUJGU-FQEVSTJZSA-N 1 0 390.491 2.937 20 0 GFADRO C[NH+](C)CCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)c1cccc2cc[nH]c21 ZINC000821586107 599142210 /nfs/dbraw/zinc/14/22/10/599142210.db2.gz JXQONTNFUBCHKB-UHFFFAOYSA-N 1 0 389.463 2.552 20 0 GFADRO Cc1cc(F)cc(C(=O)N(CC[NH+](C)C)Cc2cccc(-c3nn[nH]n3)c2)c1 ZINC000822203507 599147502 /nfs/dbraw/zinc/14/75/02/599147502.db2.gz XDPQOXWTRWZTAF-UHFFFAOYSA-N 1 0 382.443 2.518 20 0 GFADRO CC[NH+](CC)[C@H](C(=O)NCc1cc(-c2nn[nH]n2)ccc1F)c1ccccc1 ZINC000821175393 599173640 /nfs/dbraw/zinc/17/36/40/599173640.db2.gz LPXRBSNYWQUHAT-SFHVURJKSA-N 1 0 382.443 2.705 20 0 GFADRO C[NH+](C)CC[C@H](NC(=O)Nc1cc(-c2nn[nH]n2)cn1C(C)(C)C)C(C)(C)C ZINC000736757931 599180760 /nfs/dbraw/zinc/18/07/60/599180760.db2.gz AFFAYFQRKQLODD-AWEZNQCLSA-N 1 0 390.536 2.911 20 0 GFADRO C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=S)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000736295827 599221530 /nfs/dbraw/zinc/22/15/30/599221530.db2.gz YTHAYMKPKGVWPR-WCQYABFASA-N 1 0 391.932 2.776 20 0 GFADRO C[C@@H](CCSc1ccccc1)[NH+]1CCN(c2ncccc2-c2nn[nH]n2)CC1 ZINC000820248929 607264222 /nfs/dbraw/zinc/26/42/22/607264222.db2.gz PIIMYHCKFTZDAY-INIZCTEOSA-N 1 0 395.536 2.955 20 0 GFADRO CC[NH+]1CCC(CCNC(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)CC1 ZINC000821240921 599247455 /nfs/dbraw/zinc/24/74/55/599247455.db2.gz JWZMPVBLGHKBBZ-UHFFFAOYSA-N 1 0 377.880 2.764 20 0 GFADRO Cc1c(NC(=O)N2CC[C@@H]([N@H+](C)Cc3ccccc3)C2)cccc1-c1nn[nH]n1 ZINC000822084248 607293270 /nfs/dbraw/zinc/29/32/70/607293270.db2.gz HSGWGTFTGOLALP-QGZVFWFLSA-N 1 0 391.479 2.913 20 0 GFADRO CC(C)C(NC(=O)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)C(C)C ZINC000820028177 607299508 /nfs/dbraw/zinc/29/95/08/607299508.db2.gz VZBMCJHAEYXPDA-UHFFFAOYSA-N 1 0 399.543 2.765 20 0 GFADRO CC[NH+]1CCN(Cc2ccc(NCc3ccc(-c4nn[nH]n4)s3)cc2)CC1 ZINC000821277803 607308923 /nfs/dbraw/zinc/30/89/23/607308923.db2.gz ZKWULZVLLCWACM-UHFFFAOYSA-N 1 0 383.525 2.678 20 0 GFADRO CC[NH+](CC)[C@@H]1CCN(C(=O)Nc2cc(-c3nn[nH]n3)ccc2OC(C)C)C1 ZINC000821182173 599264979 /nfs/dbraw/zinc/26/49/79/599264979.db2.gz SDGQEIPXYJEXER-OAHLLOKOSA-N 1 0 387.488 2.602 20 0 GFADRO CCCC[N@H+](C)CCNC(=O)Nc1ccc(-c2nn[nH]n2)c(C(F)(F)F)c1 ZINC000821060314 599286231 /nfs/dbraw/zinc/28/62/31/599286231.db2.gz ABZJNFWEMFQFOH-UHFFFAOYSA-N 1 0 385.394 2.739 20 0 GFADRO COCCC[NH+]1CCC(Nc2ccc(C(F)(F)F)c(-c3nn[nH]n3)c2)CC1 ZINC000821687949 607346080 /nfs/dbraw/zinc/34/60/80/607346080.db2.gz XCNHWWYAEJSXFX-UHFFFAOYSA-N 1 0 384.406 2.798 20 0 GFADRO CN(C[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2F)C1)C(=O)OC(C)(C)C ZINC000736793379 598247143 /nfs/dbraw/zinc/24/71/43/598247143.db2.gz WRDNVCWBSSBLDG-ZDUSSCGKSA-N 1 0 390.463 2.695 20 0 GFADRO FC(F)Oc1cccc(C[NH+]2CCN(c3ccccc3-c3nn[nH]n3)CC2)c1 ZINC000737638633 598251857 /nfs/dbraw/zinc/25/18/57/598251857.db2.gz HQRSZUDQMHIBPO-UHFFFAOYSA-N 1 0 386.406 2.790 20 0 GFADRO CC(C)(C)n1cc(-c2nn[nH]n2)cc1NC(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000735618138 598278780 /nfs/dbraw/zinc/27/87/80/598278780.db2.gz JDJITKABCZRKDG-UHFFFAOYSA-N 1 0 388.520 2.808 20 0 GFADRO C[N@H+](CCNC(=O)Nc1cc(-c2nn[nH]n2)cn1C(C)(C)C)C1CCCCC1 ZINC000736800645 598280885 /nfs/dbraw/zinc/28/08/85/598280885.db2.gz LGXLUECRJCZAKV-UHFFFAOYSA-N 1 0 388.520 2.809 20 0 GFADRO C[NH+](C)CC1CCN(C(=O)c2ccccc2-c2ccccc2-c2nn[nH]n2)CC1 ZINC000736762774 598288306 /nfs/dbraw/zinc/28/83/06/598288306.db2.gz KIMYQPSRFXEFOK-UHFFFAOYSA-N 1 0 390.491 2.948 20 0 GFADRO CC[N@H+](CCNC(=O)c1ccccc1-c1ccccc1-c1nn[nH]n1)C1CC1 ZINC000736536966 598301604 /nfs/dbraw/zinc/30/16/04/598301604.db2.gz NYBZNLMHTGIZPD-UHFFFAOYSA-N 1 0 376.464 2.748 20 0 GFADRO CC(C)Oc1ccc(-c2nn[nH]n2)cc1NC(=S)NCC(C)(C)C[NH+](C)C ZINC000735905585 598416726 /nfs/dbraw/zinc/41/67/26/598416726.db2.gz LMHDWNDEUQPEGR-UHFFFAOYSA-N 1 0 391.545 2.528 20 0 GFADRO CC[NH+]1CCC(CNC(=O)N(Cc2ccc(-c3nn[nH]n3)cc2)C(C)C)CC1 ZINC000736565303 598430333 /nfs/dbraw/zinc/43/03/33/598430333.db2.gz JCIGHLJCBXCPFS-UHFFFAOYSA-N 1 0 385.516 2.519 20 0 GFADRO O=C(C[N@@H+]1CCC[C@H](c2ccccc2)CC1)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000737875493 598463534 /nfs/dbraw/zinc/46/35/34/598463534.db2.gz CQPKNZNXSZIUCO-IBGZPJMESA-N 1 0 390.491 2.753 20 0 GFADRO CC(C)(C)c1ncc(C[NH2+]C2CCN(c3ccc(-c4nn[nH]n4)cn3)CC2)s1 ZINC000735656523 598466276 /nfs/dbraw/zinc/46/62/76/598466276.db2.gz ZFBNTLJLUPSZCC-UHFFFAOYSA-N 1 0 398.540 2.774 20 0 GFADRO COc1c(C)cc(C[NH2+]C2CCN(c3ccc(-c4nn[nH]n4)cn3)CC2)cc1C ZINC000737025101 598466546 /nfs/dbraw/zinc/46/65/46/598466546.db2.gz WHJWOTJWVIIEFL-UHFFFAOYSA-N 1 0 393.495 2.646 20 0 GFADRO COC1CC[NH+](C2(CNc3c(F)cc(-c4nn[nH]n4)cc3F)CCCC2)CC1 ZINC000736960354 598468382 /nfs/dbraw/zinc/46/83/82/598468382.db2.gz FAMBCQIRQZMUQP-UHFFFAOYSA-N 1 0 392.454 2.980 20 0 GFADRO CC(C)C[C@H](C[NH+](C)C)NC(=O)N(Cc1ccc(-c2nn[nH]n2)cc1)C1CC1 ZINC000735761992 598477710 /nfs/dbraw/zinc/47/77/10/598477710.db2.gz SKGICUMXLKFFST-QGZVFWFLSA-N 1 0 385.516 2.517 20 0 GFADRO CCCO[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2oc(C)c(C)c2-c2nn[nH]n2)CC1 ZINC000736489469 598507346 /nfs/dbraw/zinc/50/73/46/598507346.db2.gz UZIMMZWCMMJRED-ZFWWWQNUSA-N 1 0 390.488 2.685 20 0 GFADRO C[C@H]([NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1ccc(C(C)(C)C)cc1 ZINC000736134582 598523044 /nfs/dbraw/zinc/52/30/44/598523044.db2.gz KQNPYVCVJMQSAF-KBPBESRZSA-N 1 0 380.500 2.753 20 0 GFADRO C[NH+](C)CCc1ccc(NC(=O)CSCc2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000736771486 598542420 /nfs/dbraw/zinc/54/24/20/598542420.db2.gz NKFMSXNGCZGOAE-UHFFFAOYSA-N 1 0 396.520 2.843 20 0 GFADRO C[NH+](C)Cc1cccc(NC(=O)[C@@H]2CCCN2c2ccc(-c3nn[nH]n3)cc2)c1 ZINC000736770638 598578455 /nfs/dbraw/zinc/57/84/55/598578455.db2.gz CTCFTNXZMOHXPC-IBGZPJMESA-N 1 0 391.479 2.536 20 0 GFADRO O=C(NCc1cccc(-c2nn[nH]n2)c1)NC[C@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000738117195 598582767 /nfs/dbraw/zinc/58/27/67/598582767.db2.gz OPCWETPBYNZPET-LJQANCHMSA-N 1 0 397.527 2.711 20 0 GFADRO C[NH+](C)[C@@H]1CCN(C(=O)c2ccccc2Sc2ccccc2-c2nn[nH]n2)C1 ZINC000736757591 598600762 /nfs/dbraw/zinc/60/07/62/598600762.db2.gz VCHOGQDRYQQDGW-CQSZACIVSA-N 1 0 394.504 2.794 20 0 GFADRO O=C(Nc1ccc(F)c(-c2nn[nH]n2)c1)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000738165915 598625690 /nfs/dbraw/zinc/62/56/90/598625690.db2.gz GRWVFPBIBQXZJR-SFHVURJKSA-N 1 0 395.442 2.964 20 0 GFADRO CC[NH+](CC)CC1CCN(C(=O)Nc2ccc(F)c(-c3nn[nH]n3)c2)CC1 ZINC000736533748 598629578 /nfs/dbraw/zinc/62/95/78/598629578.db2.gz JYXGSFARLJJJRH-UHFFFAOYSA-N 1 0 375.452 2.592 20 0 GFADRO CC(C)[N@H+](C)Cc1cccc(CNC(=O)Cc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000735857251 598692443 /nfs/dbraw/zinc/69/24/43/598692443.db2.gz QIOLCAGZTUZIIQ-UHFFFAOYSA-N 1 0 378.480 2.566 20 0 GFADRO CC[NH+](CC)CCNC(=O)c1cccc(Oc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000736530771 598699086 /nfs/dbraw/zinc/69/90/86/598699086.db2.gz MJBVGLDAYUSQFL-UHFFFAOYSA-N 1 0 380.452 2.731 20 0 GFADRO O=C(CC[N@@H+]1CC[C@H](c2ccco2)C1)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000737839378 598704489 /nfs/dbraw/zinc/70/44/89/598704489.db2.gz QYKZFSRQXXITGL-LBPRGKRZSA-N 1 0 386.843 2.931 20 0 GFADRO C[NH+](C)CCCOc1cccc(NC(=O)Nc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000736766899 598716082 /nfs/dbraw/zinc/71/60/82/598716082.db2.gz IJSVAQUTFCEHQZ-UHFFFAOYSA-N 1 0 381.440 2.841 20 0 GFADRO COc1cc2c(cc1OC)CC[NH+](Cc1ccc(F)cc1-c1nn[nH]n1)CC2 ZINC000737055196 598717122 /nfs/dbraw/zinc/71/71/22/598717122.db2.gz KDCKDSLOTPJUAB-UHFFFAOYSA-N 1 0 383.427 2.624 20 0 GFADRO CC(C)[N@@H+]1CC[C@@H](CNc2c(-c3nn[nH]n3)cnc3c(F)ccc(Cl)c32)C1 ZINC000735876128 598745283 /nfs/dbraw/zinc/74/52/83/598745283.db2.gz VGAKONVUTZTGRE-NSHDSACASA-N 1 0 389.866 2.772 20 0 GFADRO CC[C@H](C)[C@H](O)C[NH2+]Cc1cccc(OCc2cccc(-c3nn[nH]n3)c2)c1 ZINC000736328311 598778172 /nfs/dbraw/zinc/77/81/72/598778172.db2.gz HDPGLXTUPPTRDK-MGPUTAFESA-N 1 0 381.480 2.942 20 0 GFADRO Clc1ccc(NCC[NH+]2CCN(c3ccccc3)CC2)c(-c2nn[nH]n2)c1 ZINC000737574065 598793472 /nfs/dbraw/zinc/79/34/72/598793472.db2.gz KRLXCLFAEFANGG-UHFFFAOYSA-N 1 0 383.887 2.754 20 0 GFADRO c1ncn([C@@H]2CCC[N@@H+](Cc3ccc(-c4ccccc4-c4nn[nH]n4)cc3)C2)n1 ZINC000738424082 598812003 /nfs/dbraw/zinc/81/20/03/598812003.db2.gz VXXCQESDQSCKJI-GOSISDBHSA-N 1 0 386.463 2.962 20 0 GFADRO C[C@@H](CC[NH+](C)C)NC(=O)c1ccc(Oc2cccc(F)c2-c2nn[nH]n2)cc1 ZINC000735984844 598813076 /nfs/dbraw/zinc/81/30/76/598813076.db2.gz CWFXSYFWGBRQDR-ZDUSSCGKSA-N 1 0 398.442 2.868 20 0 GFADRO O=C(Nc1ccc(-c2nn[nH]n2)c(C(F)(F)F)c1)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000823303029 599295285 /nfs/dbraw/zinc/29/52/85/599295285.db2.gz CEVCMKUJYVYLCJ-RYUDHWBXSA-N 1 0 395.389 2.634 20 0 GFADRO CCOc1ccc([C@@H](C)[NH2+]CCC(=O)Nc2cccc(-c3nn[nH]n3)c2)cc1 ZINC000821416962 599301635 /nfs/dbraw/zinc/30/16/35/599301635.db2.gz GGVVMVHEZFMBPE-CQSZACIVSA-N 1 0 380.452 2.945 20 0 GFADRO C[C@@H](c1ccc(-c2nn[nH]n2)cc1)[NH+]1CCN(CCOc2ccccc2)CC1 ZINC000736197205 599307561 /nfs/dbraw/zinc/30/75/61/599307561.db2.gz LUBBDIBXHHNSNP-KRWDZBQOSA-N 1 0 378.480 2.624 20 0 GFADRO C[C@H](c1ccc(-c2nn[nH]n2)cc1)[NH+]1CCC(NC(=O)c2ccccc2)CC1 ZINC000736197280 599307600 /nfs/dbraw/zinc/30/76/00/599307600.db2.gz MPXKZZCLZNOWSG-OAHLLOKOSA-N 1 0 376.464 2.822 20 0 GFADRO O=C(OCc1cccc(-c2nn[nH]n2)c1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000738233725 599366837 /nfs/dbraw/zinc/36/68/37/599366837.db2.gz STWXUEHXFHEQIA-IBGZPJMESA-N 1 0 377.448 2.822 20 0 GFADRO C[C@H]([NH2+][C@@H](C)[C@H]1CN(Cc2ccccc2)CCO1)c1ccc(-c2nn[nH]n2)cc1 ZINC000820404648 599377152 /nfs/dbraw/zinc/37/71/52/599377152.db2.gz ZWFFPRWQHZHPSA-XGHQBKJUSA-N 1 0 392.507 2.807 20 0 GFADRO CCN(CC)[C@@H](C[NH2+]Cc1ccc(OC)c(-c2nn[nH]n2)c1)Cc1ccccc1 ZINC000821181711 599403439 /nfs/dbraw/zinc/40/34/39/599403439.db2.gz PBLSUVRFNGQOKU-LJQANCHMSA-N 1 0 394.523 2.918 20 0 GFADRO COc1ccc(C[NH2+]Cc2ccnc(OC3CCCC3)c2)cc1-c1nn[nH]n1 ZINC000821818476 599404314 /nfs/dbraw/zinc/40/43/14/599404314.db2.gz RZUXOQNFAQWDRA-UHFFFAOYSA-N 1 0 380.452 2.882 20 0 GFADRO COc1ccc(C[NH2+]C[C@@H]2CCN(c3ccc(F)cc3)C2)cc1-c1nn[nH]n1 ZINC000821808980 599414761 /nfs/dbraw/zinc/41/47/61/599414761.db2.gz LJXAOKZIJVVGCL-HNNXBMFYSA-N 1 0 382.443 2.631 20 0 GFADRO COc1cccc(N2CC[C@@H](C[NH2+]Cc3ccc(OC)c(-c4nn[nH]n4)c3)C2)c1 ZINC000821871803 599426687 /nfs/dbraw/zinc/42/66/87/599426687.db2.gz DUZDRQZNBMQCLV-INIZCTEOSA-N 1 0 394.479 2.500 20 0 GFADRO COc1ccc(C[NH2+]C[C@@H](O)c2ccc3ccccc3c2)cc1-c1nn[nH]n1 ZINC000821809703 599433867 /nfs/dbraw/zinc/43/38/67/599433867.db2.gz QQPOFDRUDNDAGK-LJQANCHMSA-N 1 0 375.432 2.852 20 0 GFADRO Brc1cc(C[NH2+]CCOc2ccc(-c3nn[nH]n3)cc2)cs1 ZINC000819688131 599451767 /nfs/dbraw/zinc/45/17/67/599451767.db2.gz DLXOYNVOBKIIFL-UHFFFAOYSA-N 1 0 380.271 2.859 20 0 GFADRO C[C@H](CNc1ccc(F)cc1-c1nn[nH]n1)[NH+]1CCN(c2ccccc2)CC1 ZINC000820280397 599473308 /nfs/dbraw/zinc/47/33/08/599473308.db2.gz FHJJWHNPNFEGFM-OAHLLOKOSA-N 1 0 381.459 2.628 20 0 GFADRO C[C@H](NC(=O)C1CC[NH+](Cc2ccccc2)CC1)c1cccc(-c2nn[nH]n2)c1 ZINC000820322995 599498959 /nfs/dbraw/zinc/49/89/59/599498959.db2.gz VOZGJNORPVMQQQ-INIZCTEOSA-N 1 0 390.491 2.956 20 0 GFADRO C[C@H](NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1cccc(-c2nn[nH]n2)c1 ZINC000820321792 599505883 /nfs/dbraw/zinc/50/58/83/599505883.db2.gz MOIMZHMRPNFCTQ-JXFKEZNVSA-N 1 0 390.491 2.956 20 0 GFADRO CN(C)c1ccccc1C[N@@H+]1CCCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000821590917 599562461 /nfs/dbraw/zinc/56/24/61/599562461.db2.gz LSGHBDHLZDQWFH-UHFFFAOYSA-N 1 0 377.496 2.645 20 0 GFADRO c1cn(CN2CCC[C@H]2C[NH+]2CCCCC2)nc1-c1ccc(-c2nn[nH]n2)cc1 ZINC000738405404 599579730 /nfs/dbraw/zinc/57/97/30/599579730.db2.gz OHCTURKSRIDNJW-IBGZPJMESA-N 1 0 392.511 2.638 20 0 GFADRO C[C@H]1CCN(CCOc2ccccc2-c2nn[nH]n2)CC[N@@H+]1Cc1ccccc1 ZINC000820722868 599591490 /nfs/dbraw/zinc/59/14/90/599591490.db2.gz QNAJIYPUPYKVME-SFHVURJKSA-N 1 0 392.507 2.842 20 0 GFADRO CC[N@H+](CCC(=O)Nc1ccccc1-c1nn[nH]n1)C[C@@H](O)c1ccc(C)cc1 ZINC000821207730 599644922 /nfs/dbraw/zinc/64/49/22/599644922.db2.gz TXYQCYKTJJRXDQ-LJQANCHMSA-N 1 0 394.479 2.559 20 0 GFADRO COc1ccc([C@H]2CCC[N@@H+]2Cc2cnc3ccc(-c4nn[nH]n4)cn23)cc1 ZINC000821787095 607388086 /nfs/dbraw/zinc/38/80/86/607388086.db2.gz OALAEZXFZPUIMU-GOSISDBHSA-N 1 0 375.436 2.860 20 0 GFADRO FC(F)(F)c1ccc(-c2nn[nH]n2)c(N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)n1 ZINC000822723298 607471342 /nfs/dbraw/zinc/47/13/42/607471342.db2.gz CWNYBVDIQDCTEV-FZMZJTMJSA-N 1 0 393.417 2.734 20 0 GFADRO FC(F)(F)c1ccc(-c2nn[nH]n2)c(N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)n1 ZINC000822723297 607471796 /nfs/dbraw/zinc/47/17/96/607471796.db2.gz CWNYBVDIQDCTEV-BXUZGUMPSA-N 1 0 393.417 2.734 20 0 GFADRO CCN(Cc1ccnc(-c2nn[nH]n2)c1)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000825439717 607492279 /nfs/dbraw/zinc/49/22/79/607492279.db2.gz LTEUXQJJQOBYBI-VQIMIIECSA-N 1 0 377.496 2.919 20 0 GFADRO COc1ccc(C[NH+]2CCC([C@H](O)c3ccc(F)cc3)CC2)cc1-c1nn[nH]n1 ZINC000826193408 607499417 /nfs/dbraw/zinc/49/94/17/607499417.db2.gz CBDOQHABBBRTQZ-HXUWFJFHSA-N 1 0 397.454 2.960 20 0 GFADRO Cc1ccc(-c2nn[nH]n2)cc1NC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000822217311 607507631 /nfs/dbraw/zinc/50/76/31/607507631.db2.gz ARZPJPKMIXKHEF-CRAIPNDOSA-N 1 0 381.484 2.656 20 0 GFADRO COc1ccc(CN2CC[C@@H](C)[N@H+](Cc3ccccc3)CC2)cc1-c1nn[nH]n1 ZINC000826193612 607508867 /nfs/dbraw/zinc/50/88/67/607508867.db2.gz JBLMMXIAUUNDGT-QGZVFWFLSA-N 1 0 392.507 2.972 20 0 GFADRO COc1ccc(-c2nn[nH]n2)cc1C[NH+]1CCC([C@H](O)c2ccc(F)cc2)CC1 ZINC000826182788 607527124 /nfs/dbraw/zinc/52/71/24/607527124.db2.gz UKQWYABXXWVGQW-HXUWFJFHSA-N 1 0 397.454 2.960 20 0 GFADRO COc1ccc(C[NH2+]C[C@@H](c2ccccc2)C(C)(C)CO)cc1-c1nn[nH]n1 ZINC000826202466 607571969 /nfs/dbraw/zinc/57/19/69/607571969.db2.gz ASVJZCVPYSXFHO-SFHVURJKSA-N 1 0 381.480 2.767 20 0 GFADRO CC(C)[C@@H]([NH2+]CCS(=O)(=O)c1cccc(-c2nn[nH]n2)c1)c1ccccc1 ZINC000824201056 607814164 /nfs/dbraw/zinc/81/41/64/607814164.db2.gz XIRCHNFGPKHTER-GOSISDBHSA-N 1 0 385.493 2.627 20 0 GFADRO C[C@@H]1C[N@@H+](Cc2ccc(C[NH2+]C[C@@H]3CCCN(C(=O)[O-])C3)cc2)C[C@H](C)O1 ZINC000739186322 603265185 /nfs/dbraw/zinc/26/51/85/603265185.db2.gz DVAKMOSSWSUJFQ-QKLQHJQFSA-N 1 0 375.513 2.775 20 0 GFADRO COc1ccc(-c2nn[nH]n2)cc1CN1CCC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000826183692 607632488 /nfs/dbraw/zinc/63/24/88/607632488.db2.gz XUIOOESAUCTTGM-KRWDZBQOSA-N 1 0 392.507 2.972 20 0 GFADRO Cc1cc(-c2nn[nH]n2)ccc1C(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1 ZINC000826244601 607673829 /nfs/dbraw/zinc/67/38/29/607673829.db2.gz YFUGMTOHKZHXRK-UHFFFAOYSA-N 1 0 382.443 2.518 20 0 GFADRO C[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)C[N@@H+]1Cc1cc(F)ccc1-c1nn[nH]n1 ZINC000824884218 607750295 /nfs/dbraw/zinc/75/02/95/607750295.db2.gz MHHVMAZZOFMEOL-CHWSQXEVSA-N 1 0 390.463 2.741 20 0 GFADRO C[C@@H](C[C@H]1CCCN1C(=O)[O-])[NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000824767231 605500225 /nfs/dbraw/zinc/50/02/25/605500225.db2.gz HHRBAFBGUAKWNZ-QFBILLFUSA-N 1 0 375.513 2.654 20 0 GFADRO Cc1ccc(NC(=O)[C@H]2CCC[N@@H+]([C@@H](C)c3ccc(-c4nn[nH]n4)cc3)C2)nc1 ZINC000822242484 606072904 /nfs/dbraw/zinc/07/29/04/606072904.db2.gz MLKZUNOFGOCLJP-YJBOKZPZSA-N 1 0 391.479 2.982 20 0 GFADRO Cc1cccc(C[N@H+](C)CCC(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)n1 ZINC000822303493 606082880 /nfs/dbraw/zinc/08/28/80/606082880.db2.gz CNUZYPWBMQJVKO-UHFFFAOYSA-N 1 0 385.859 2.684 20 0 GFADRO CC(C)[C@@H](Oc1ccccc1-c1nn[nH]n1)C(=O)OCCC[NH+]1CCCCC1 ZINC000820031354 606168625 /nfs/dbraw/zinc/16/86/25/606168625.db2.gz CZUODKAHHRTTFQ-GOSISDBHSA-N 1 0 387.484 2.689 20 0 GFADRO O=C(OC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc(-c2nn[nH]n2)s1 ZINC000823396442 606179622 /nfs/dbraw/zinc/17/96/22/606179622.db2.gz JMXDFARTVFZIDF-OAHLLOKOSA-N 1 0 383.477 2.997 20 0 GFADRO C[C@@H]1CC[N@H+](CCS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)[C@@H]2CCCC[C@@H]12 ZINC000820723125 606189409 /nfs/dbraw/zinc/18/94/09/606189409.db2.gz WMDSXKZQZLYQKY-FHLIZLRMSA-N 1 0 389.525 2.541 20 0 GFADRO CC(C)CC[NH+]1CCC(CNc2c3ccccc3nnc2-c2nn[nH]n2)CC1 ZINC000820077011 606199961 /nfs/dbraw/zinc/19/99/61/606199961.db2.gz XVKWQFUHSWEJDA-UHFFFAOYSA-N 1 0 380.500 2.980 20 0 GFADRO FC(F)Oc1ccccc1N1CC[C@@H]([NH2+]Cc2cc(-c3nn[nH]n3)cs2)C1 ZINC000822736825 606220775 /nfs/dbraw/zinc/22/07/75/606220775.db2.gz KWDRNLPUFINEAX-GFCCVEGCSA-N 1 0 392.435 2.898 20 0 GFADRO CC[C@H]1Oc2cc([C@@H](C)[NH2+]Cc3cc(-c4nn[nH]n4)cs3)ccc2NC1=O ZINC000821000860 606224760 /nfs/dbraw/zinc/22/47/60/606224760.db2.gz KNMPHTSHMVMTTM-MEBBXXQBSA-N 1 0 384.465 2.889 20 0 GFADRO CCc1ccc([C@@H](C)[NH2+][C@H]2CCN(c3sccc3-c3nn[nH]n3)C2=O)cc1 ZINC000821482903 606297908 /nfs/dbraw/zinc/29/79/08/606297908.db2.gz WDPIGKKQRSWGMO-WBMJQRKESA-N 1 0 382.493 2.947 20 0 GFADRO CC[C@@H]([NH2+]CCS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)c1ccc(C)cc1 ZINC000820927025 606307325 /nfs/dbraw/zinc/30/73/25/606307325.db2.gz YVHYUGVOJRNPIF-GOSISDBHSA-N 1 0 385.493 2.690 20 0 GFADRO Cc1ccccc1[C@H]1CC[N@@H+]([C@H]2CCN(c3sccc3-c3nn[nH]n3)C2=O)C1 ZINC000822350187 606319917 /nfs/dbraw/zinc/31/99/17/606319917.db2.gz BEOAQJGCUBTKDT-YOEHRIQHSA-N 1 0 394.504 2.831 20 0 GFADRO CCS[C@@H]1CCCC[N@@H+]([C@@H]2CCN(c3sccc3-c3nn[nH]n3)C2=O)C1 ZINC000821454960 606322751 /nfs/dbraw/zinc/32/27/51/606322751.db2.gz HVKVJOCIWDVBKT-TZMCWYRMSA-N 1 0 392.554 2.641 20 0 GFADRO c1cnn(C[C@H]([NH2+]CCCOc2ccc(-c3nn[nH]n3)cc2)c2ccccc2)c1 ZINC000823771637 606331835 /nfs/dbraw/zinc/33/18/35/606331835.db2.gz BEWHZASANPJAMG-FQEVSTJZSA-N 1 0 389.463 2.863 20 0 GFADRO O=C(NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)Nc1ccc(F)cc1-c1nn[nH]n1 ZINC000823176064 606357976 /nfs/dbraw/zinc/35/79/76/606357976.db2.gz PMUDHNLPQZUBHF-INIZCTEOSA-N 1 0 395.442 2.792 20 0 GFADRO O=C(NC[C@@H]1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1)c1ccccc1 ZINC000823175384 606379051 /nfs/dbraw/zinc/37/90/51/606379051.db2.gz HGBBWTYRMPWUEL-KRWDZBQOSA-N 1 0 376.464 2.509 20 0 GFADRO C[C@H]1CC(C)(C)C[C@](CO)([NH2+]Cc2nnc(-c3ccc(-c4nn[nH]n4)cc3)o2)C1 ZINC000820650666 606433969 /nfs/dbraw/zinc/43/39/69/606433969.db2.gz XGZOEUOYHLQXCF-RNODOKPDSA-N 1 0 397.483 2.584 20 0 GFADRO c1cc2nccc(N3CCC[N@@H+](Cc4ccc(-c5nn[nH]n5)cc4)CC3)c2cn1 ZINC000823767926 606439477 /nfs/dbraw/zinc/43/94/77/606439477.db2.gz ZTXQZKBTJSYUMS-UHFFFAOYSA-N 1 0 386.463 2.522 20 0 GFADRO Cc1c[nH+]ccc1N1CCC(C(=O)N[C@H](C)c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000822399252 606442604 /nfs/dbraw/zinc/44/26/04/606442604.db2.gz DEDSGUAPBJZGRR-OAHLLOKOSA-N 1 0 391.479 2.664 20 0 GFADRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000820760509 606483582 /nfs/dbraw/zinc/48/35/82/606483582.db2.gz RDUYTSFGRCQBJV-HNAYVOBHSA-N 1 0 391.479 2.899 20 0 GFADRO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@@H]1N2C(=O)c1ccc(-c2nn[nH]n2)s1 ZINC000822275413 606498852 /nfs/dbraw/zinc/49/88/52/606498852.db2.gz UMMGKMQDRGCQHB-HIFRSBDPSA-N 1 0 380.477 2.685 20 0 GFADRO CN(C(=O)c1cc(-c2nn[nH]n2)cs1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000821573384 606524374 /nfs/dbraw/zinc/52/43/74/606524374.db2.gz OAUFILQNUHUARL-MRXNPFEDSA-N 1 0 382.493 2.665 20 0 GFADRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)c1ccc(-c2nn[nH]n2)s1 ZINC000820761302 606570946 /nfs/dbraw/zinc/57/09/46/606570946.db2.gz WWXPYMIXSFOLHR-CQSZACIVSA-N 1 0 382.493 2.665 20 0 GFADRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1ccc(-c2nn[nH]n2)s1 ZINC000820761258 606584331 /nfs/dbraw/zinc/58/43/31/606584331.db2.gz WLSOVFIPTJCSCQ-ZFWWWQNUSA-N 1 0 382.493 2.569 20 0 GFADRO Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)n1C[N@@H+]1CCS[C@@H]2CCCC[C@H]21 ZINC000822505727 606592595 /nfs/dbraw/zinc/59/25/95/606592595.db2.gz SYSQBMWITNZGDA-IAGOWNOFSA-N 1 0 396.524 2.751 20 0 GFADRO Fc1ccc(CN2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)c(F)c1 ZINC000822771330 606632562 /nfs/dbraw/zinc/63/25/62/606632562.db2.gz FZTUAZYHYMCVFO-UHFFFAOYSA-N 1 0 384.434 2.853 20 0 GFADRO CC(C)n1cnnc1[C@@H]1CCC[N@H+](CCCOc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000820215641 606654700 /nfs/dbraw/zinc/65/47/00/606654700.db2.gz YACHDLUNPWHPOL-QGZVFWFLSA-N 1 0 396.499 2.688 20 0 GFADRO CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cccc(Oc3ccc(-c4nn[nH]n4)cc3)c2)C1 ZINC000821242847 606692206 /nfs/dbraw/zinc/69/22/06/606692206.db2.gz XASRVIVBWNWQEF-AUUYWEPGSA-N 1 0 392.463 2.729 20 0 GFADRO C[C@H](CC[S@](C)=O)[NH2+]Cc1cccc(OCc2cccc(-c3nn[nH]n3)c2)c1 ZINC000820249320 606707334 /nfs/dbraw/zinc/70/73/34/606707334.db2.gz USHWJVYHGAVOBA-JMGYQRAPSA-N 1 0 399.520 2.692 20 0 GFADRO C[C@@H]([NH2+][C@H]1CCN(c2c(F)cccc2F)C1=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000820414350 606712019 /nfs/dbraw/zinc/71/20/19/606712019.db2.gz XXZADDQTQFMXDE-BZNIZROVSA-N 1 0 384.390 2.601 20 0 GFADRO CC[C@@H](CCO)C[NH2+]Cc1cccc(OCc2cccc(-c3nn[nH]n3)c2)c1 ZINC000820901964 606725830 /nfs/dbraw/zinc/72/58/30/606725830.db2.gz GTHCYZKMAYQIRG-INIZCTEOSA-N 1 0 381.480 2.944 20 0 GFADRO CC[C@@H](CCO)C[NH2+]Cc1cccc(OCc2ccccc2-c2nn[nH]n2)c1 ZINC000820902853 606725845 /nfs/dbraw/zinc/72/58/45/606725845.db2.gz OVOMMVFFUOQFMQ-INIZCTEOSA-N 1 0 381.480 2.944 20 0 GFADRO CC(C)C[N@@H+]1CC[C@@H](CNC(=S)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)C1 ZINC000820093465 606764636 /nfs/dbraw/zinc/76/46/36/606764636.db2.gz XMRHRHNVRUKUDP-LBPRGKRZSA-N 1 0 393.948 2.784 20 0 GFADRO c1ccc(-c2ccc(C[N@@H+]3CCO[C@H]([C@H]4CCCO4)C3)cc2)c(-c2nn[nH]n2)c1 ZINC000823766451 606771093 /nfs/dbraw/zinc/77/10/93/606771093.db2.gz DGFXNIAOFLETNG-RTWAWAEBSA-N 1 0 391.475 2.914 20 0 GFADRO CN(C(=O)Nc1cccc(-c2nn[nH]n2)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000821572012 606783376 /nfs/dbraw/zinc/78/33/76/606783376.db2.gz OIYKULWQLDPKLN-SFHVURJKSA-N 1 0 377.452 2.605 20 0 GFADRO CC[C@@H]1CCC[C@H]1NC(=O)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000820972890 606811576 /nfs/dbraw/zinc/81/15/76/606811576.db2.gz RNDNZPFHIBFDOU-IEBWSBKVSA-N 1 0 397.527 2.663 20 0 GFADRO O[C@H](C[N@@H+](Cc1cccs1)C[C@H]1CCCO1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823672559 606846633 /nfs/dbraw/zinc/84/66/33/606846633.db2.gz FMPHKCLQSRXCPL-SJLPKXTDSA-N 1 0 385.493 2.643 20 0 GFADRO CC(C)[C@@H]([NH2+]C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1)c1ccc2c(c1)OCCO2 ZINC000820026133 606848199 /nfs/dbraw/zinc/84/81/99/606848199.db2.gz IEQXBGLPNBTRQF-YLJYHZDGSA-N 1 0 395.463 2.658 20 0 GFADRO Cc1ccc(C(=O)C2CC[NH+](C[C@H](O)c3ccc(-c4nn[nH]n4)cc3)CC2)cc1 ZINC000822225052 606856037 /nfs/dbraw/zinc/85/60/37/606856037.db2.gz MDTMWLLVDYSUIM-FQEVSTJZSA-N 1 0 391.475 2.803 20 0 GFADRO O[C@H](C[N@@H+](Cc1ccccc1)C[C@H]1CCCO1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823675415 606857992 /nfs/dbraw/zinc/85/79/92/606857992.db2.gz WSWQNXGPRLKLAZ-WOJBJXKFSA-N 1 0 379.464 2.581 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)Nc2ccc(-c3nn[nH]n3)cc2)C[N@@H+]1Cc1ccccc1 ZINC000820656125 606870891 /nfs/dbraw/zinc/87/08/91/606870891.db2.gz DDKFSJPBFYSNAD-KDOFPFPSSA-N 1 0 377.452 2.651 20 0 GFADRO O[C@@H](C[N@@H+]1CCC[C@H]1c1cccc2c1OCCO2)c1ccc(-c2nn[nH]n2)cc1 ZINC000823681573 606893885 /nfs/dbraw/zinc/89/38/85/606893885.db2.gz GWOZOAGVCJGXFF-ROUUACIJSA-N 1 0 393.447 2.508 20 0 GFADRO CCc1nccn1[C@H]1CCC[N@H+](CCCOc2cccc(-c3nn[nH]n3)c2)C1 ZINC000821516801 606895415 /nfs/dbraw/zinc/89/54/15/606895415.db2.gz CCHGNOCAXPIBPH-KRWDZBQOSA-N 1 0 381.484 2.732 20 0 GFADRO CCc1nc2c(s1)[C@@H]([N@H+](C)C[C@H](O)c1ccc(-c3nn[nH]n3)cc1)CCC2 ZINC000821510124 606933471 /nfs/dbraw/zinc/93/34/71/606933471.db2.gz XHTGJKODDSTMSG-HOTGVXAUSA-N 1 0 384.509 2.928 20 0 GFADRO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC000820384356 606983124 /nfs/dbraw/zinc/98/31/24/606983124.db2.gz CICLJUSZQYLRRY-WMLDXEAASA-N 1 0 386.500 2.992 20 0 GFADRO CC(C)(C)OC1CC[NH+](CCC(=O)Nc2sccc2-c2nn[nH]n2)CC1 ZINC000819946456 607022889 /nfs/dbraw/zinc/02/28/89/607022889.db2.gz KUDYSWZVDQWMOJ-UHFFFAOYSA-N 1 0 378.502 2.536 20 0 GFADRO CC[C@H](Cc1cccs1)[NH2+]C1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1 ZINC000820912948 607046526 /nfs/dbraw/zinc/04/65/26/607046526.db2.gz AGNHZJFVIANTPT-OAHLLOKOSA-N 1 0 383.525 2.903 20 0 GFADRO O=C(Nc1ccccc1)NC1CC[NH+](Cc2cc(F)ccc2-c2nn[nH]n2)CC1 ZINC000823367720 607061325 /nfs/dbraw/zinc/06/13/25/607061325.db2.gz ODRAPGIMZKHKHK-UHFFFAOYSA-N 1 0 395.442 2.792 20 0 GFADRO COc1ccc(C[NH2+]Cc2ccccc2-n2ccc(C)n2)cc1-c1nn[nH]n1 ZINC000821818454 607151750 /nfs/dbraw/zinc/15/17/50/607151750.db2.gz RFULZKSCHUWGIT-UHFFFAOYSA-N 1 0 375.436 2.659 20 0 GFADRO CCc1cc(C)c(C(=O)N(CC[NH+](C)C)Cc2ccc(-c3nn[nH]n3)cc2)o1 ZINC000821471035 607191682 /nfs/dbraw/zinc/19/16/82/607191682.db2.gz VAMBFOYVAYZMPA-UHFFFAOYSA-N 1 0 382.468 2.535 20 0 GFADRO Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)Cc1cccc(-c2nn[nH]n2)c1 ZINC000822237218 607228594 /nfs/dbraw/zinc/22/85/94/607228594.db2.gz KKKPUQXDZUZEEA-UHFFFAOYSA-N 1 0 376.464 2.952 20 0 GFADRO CC(C)[C@@H](C[NH2+]CCS(=O)(=O)c1cccc(-c2nn[nH]n2)c1)c1ccccc1 ZINC000824192839 607815018 /nfs/dbraw/zinc/81/50/18/607815018.db2.gz MTDNYWSWYJUWLR-LJQANCHMSA-N 1 0 399.520 2.670 20 0 GFADRO C[C@@H]1CC[N@H+](CCS(=O)(=O)c2cccc(-c3nn[nH]n3)c2)[C@H]2CCCC[C@H]12 ZINC000824952818 607815500 /nfs/dbraw/zinc/81/55/00/607815500.db2.gz BHFADKLCNNSHAR-OLMNPRSZSA-N 1 0 389.525 2.541 20 0 GFADRO O[C@H]1C[C@@H](c2ccc(C(F)(F)F)cc2)[N@H+](Cc2ccnc(-c3nn[nH]n3)c2)C1 ZINC000826505645 607831120 /nfs/dbraw/zinc/83/11/20/607831120.db2.gz BDIXURBUOFXGQH-HOCLYGCPSA-N 1 0 390.369 2.588 20 0 GFADRO CC[C@@H]1Oc2cc([C@@H](C)[NH2+]Cc3ccccc3-c3nn[nH]n3)ccc2NC1=O ZINC000825219243 607909945 /nfs/dbraw/zinc/90/99/45/607909945.db2.gz IPGNPCRXHRWABV-PXAZEXFGSA-N 1 0 378.436 2.827 20 0 GFADRO C[NH+]1CCC([C@@H]2CCN(C(=O)Nc3ccc(-c4nn[nH]n4)cc3Cl)C2)CC1 ZINC000826023026 607919867 /nfs/dbraw/zinc/91/98/67/607919867.db2.gz VWIMWVNXUYAPAX-CQSZACIVSA-N 1 0 389.891 2.716 20 0 GFADRO CCS[C@H]1CCCC[N@H+](Cc2cccc(C(=O)OC)c2-c2nn[nH]n2)C1 ZINC000825669491 607922610 /nfs/dbraw/zinc/92/26/10/607922610.db2.gz YZPWUKCCNIVATP-AWEZNQCLSA-N 1 0 375.498 2.761 20 0 GFADRO CC[N@H+](Cc1cccc(C(=O)OC)c1-c1nn[nH]n1)[C@H](C)c1cccc(O)c1 ZINC000825435266 607924486 /nfs/dbraw/zinc/92/44/86/607924486.db2.gz RPVPQYSPOHJGQX-CYBMUJFWSA-N 1 0 381.436 2.942 20 0 GFADRO COc1cc(C[N@H+](CCOc2cccc(-c3nn[nH]n3)c2)C2CC2)ccc1O ZINC000826179349 608039874 /nfs/dbraw/zinc/03/98/74/608039874.db2.gz LEGYJLHVYPDRMO-UHFFFAOYSA-N 1 0 381.436 2.624 20 0 GFADRO Cc1cc(C(=O)N(CC[NH+](C)C)Cc2ccc(-c3nn[nH]n3)cc2)cc(C)c1F ZINC000826257507 608119729 /nfs/dbraw/zinc/11/97/29/608119729.db2.gz FPXCWHRAJSUYMT-UHFFFAOYSA-N 1 0 396.470 2.827 20 0 GFADRO CC[N@H+](Cc1ccccc1C)[C@H]1CCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000825439429 608122278 /nfs/dbraw/zinc/12/22/78/608122278.db2.gz BZJMRECHUFTQMK-IBGZPJMESA-N 1 0 376.464 2.803 20 0 GFADRO Cc1cccc([C@@H]2CC[N@@H+]([C@@H]3CCN(c4sccc4-c4nn[nH]n4)C3=O)C2)c1 ZINC000826297946 608128145 /nfs/dbraw/zinc/12/81/45/608128145.db2.gz XRVSDDBUFMBNFS-NVXWUHKLSA-N 1 0 394.504 2.831 20 0 GFADRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)c1ccc(-c2nn[nH]n2)s1 ZINC000825918221 608163260 /nfs/dbraw/zinc/16/32/60/608163260.db2.gz BBFPUAOZHZAZKC-UHFFFAOYSA-N 1 0 397.508 2.702 20 0 GFADRO CC[N@@H+]1C[C@H](C)N(C(=S)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)C[C@@H]1C ZINC000825444289 608227222 /nfs/dbraw/zinc/22/72/22/608227222.db2.gz LGIYLOQIOOZTIR-QWRGUYRKSA-N 1 0 379.921 2.631 20 0 GFADRO CN1CCO[C@@H]([C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)c2ccc(Cl)cc2)C1 ZINC000826044881 608242806 /nfs/dbraw/zinc/24/28/06/608242806.db2.gz LPWIYGGQJIPYJP-RTBURBONSA-N 1 0 398.898 2.682 20 0 GFADRO c1ccc2c(c1)ncc(-c1nn[nH]n1)c2NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000826523219 608245112 /nfs/dbraw/zinc/24/51/12/608245112.db2.gz FOLCJNFTBCICCQ-UHFFFAOYSA-N 1 0 386.463 2.560 20 0 GFADRO C[C@H]([NH2+]CCOc1ccc(-c2nn[nH]n2)cc1)c1ccc2c(c1)OCCCO2 ZINC000824598939 608279672 /nfs/dbraw/zinc/27/96/72/608279672.db2.gz JZAAGLZCDSWXSW-AWEZNQCLSA-N 1 0 381.436 2.758 20 0 GFADRO Cc1cccc(NC[C@@H]2CCN(c3nc4c(cc3-c3nn[nH]n3)CCCC4)C2)[nH+]1 ZINC000826299337 608280425 /nfs/dbraw/zinc/28/04/25/608280425.db2.gz AEKJHUUCIUGTGB-HNNXBMFYSA-N 1 0 390.495 2.782 20 0 GFADRO C[C@H]([NH2+]CCOc1ccc(-c2nn[nH]n2)cc1)c1ccc(N2CCOC2=O)cc1 ZINC000824600172 608281192 /nfs/dbraw/zinc/28/11/92/608281192.db2.gz XBAXGBDICQAZHO-AWEZNQCLSA-N 1 0 394.435 2.553 20 0 GFADRO CC[C@@H](Cc1ccc(OC)c(OC)c1)[NH2+]CCOc1ccc(-c2nn[nH]n2)cc1 ZINC000825128471 608281228 /nfs/dbraw/zinc/28/12/28/608281228.db2.gz VCHSRAPYJNIHSL-KRWDZBQOSA-N 1 0 397.479 2.874 20 0 GFADRO COCCOc1ccc([C@@H](C)[NH2+]CCOc2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000826162584 608281826 /nfs/dbraw/zinc/28/18/26/608281826.db2.gz JBTOJCONEHRCFH-OAHLLOKOSA-N 1 0 383.452 2.622 20 0 GFADRO COc1cc([C@@H](C)[NH2+]CCOc2ccc(-c3nn[nH]n3)cc2)cc(OC)c1OC ZINC000826177662 608283107 /nfs/dbraw/zinc/28/31/07/608283107.db2.gz PZODOMGKRPAZEM-CYBMUJFWSA-N 1 0 399.451 2.622 20 0 GFADRO COc1ccc(C[NH2+][C@H](C)C[C@H](C)NC(=O)OC(C)(C)C)cc1-c1nn[nH]n1 ZINC000826201858 608286458 /nfs/dbraw/zinc/28/64/58/608286458.db2.gz GTUJEJTWOYTITE-OLZOCXBDSA-N 1 0 390.488 2.657 20 0 GFADRO COc1cc(-c2nn[nH]n2)ccc1C[N@@H+]1CCCN(c2ccc(C)cc2)CC1 ZINC000826169092 608355101 /nfs/dbraw/zinc/35/51/01/608355101.db2.gz IBXLSDPSBJWMOJ-UHFFFAOYSA-N 1 0 378.480 2.896 20 0 GFADRO Brc1cc(-c2nn[nH]n2)ccc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000823827244 608368529 /nfs/dbraw/zinc/36/85/29/608368529.db2.gz YFCKFHJUBJZNRW-ZDUSSCGKSA-N 1 0 377.290 2.694 20 0 GFADRO COc1ccc(C[N@@H+]2CC[C@](O)(Cc3cccc(Cl)c3)C2)cc1-c1nn[nH]n1 ZINC000826194722 608379034 /nfs/dbraw/zinc/37/90/34/608379034.db2.gz UIDHZASAHKMGTE-FQEVSTJZSA-N 1 0 399.882 2.708 20 0 GFADRO O[C@@]1(Cc2cccc(Cl)c2)CC[N@H+](Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC000826506271 608379889 /nfs/dbraw/zinc/37/98/89/608379889.db2.gz QIVQRNLTVFDFHT-LJQANCHMSA-N 1 0 387.846 2.839 20 0 GFADRO O=C(NC[C@H]1CCC[N@@H+](Cc2cccc(-c3nn[nH]n3)c2F)C1)c1ccccc1 ZINC000826435805 608402259 /nfs/dbraw/zinc/40/22/59/608402259.db2.gz YCTJNYZBMIAYDG-OAHLLOKOSA-N 1 0 394.454 2.648 20 0 GFADRO C[C@@H](CNC(=O)N1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1)[NH+]1CCCCC1 ZINC000824420306 608417540 /nfs/dbraw/zinc/41/75/40/608417540.db2.gz HLTZEXLNLCXRMU-INIZCTEOSA-N 1 0 395.511 2.540 20 0 GFADRO CC[C@@H]([NH2+]CCC(=O)Nc1ccc(-c2nn[nH]n2)cc1)c1ccc(OC)cc1 ZINC000825141265 608426119 /nfs/dbraw/zinc/42/61/19/608426119.db2.gz NEJKNEQJAXBKTR-GOSISDBHSA-N 1 0 380.452 2.945 20 0 GFADRO CC[C@H]([NH2+]Cc1cccc(C(=O)OC)c1-c1nn[nH]n1)c1ccccc1OC ZINC000825148274 608456723 /nfs/dbraw/zinc/45/67/23/608456723.db2.gz PEACZNGTTBMOAD-INIZCTEOSA-N 1 0 381.436 2.903 20 0 GFADRO CC[C@@H]([NH2+][C@@H](C)c1ccc(-c2nn[nH]n2)cc1)c1ccccc1OCC(=O)NC ZINC000825143986 608457828 /nfs/dbraw/zinc/45/78/28/608457828.db2.gz XFDYYZNFCKCCDR-KBXCAEBGSA-N 1 0 394.479 2.793 20 0 GFADRO c1cn(-c2ccc(C[N@H+]3CC=C(c4ccc(-c5nn[nH]n5)cc4)CC3)cn2)cn1 ZINC000823867758 608463468 /nfs/dbraw/zinc/46/34/68/608463468.db2.gz GZRJACGLLWPNCK-UHFFFAOYSA-N 1 0 384.447 2.737 20 0 GFADRO CCOc1cccc([C@H](C)[NH2+]Cc2cccc(C(=O)OC)c2-c2nn[nH]n2)c1 ZINC000825648959 608471566 /nfs/dbraw/zinc/47/15/66/608471566.db2.gz HWOHCGSLZGPMSZ-ZDUSSCGKSA-N 1 0 381.436 2.903 20 0 GFADRO COc1ccc([C@H](C)[NH2+]CCC(=O)Nc2cccc(-c3nn[nH]n3)c2)cc1OC ZINC000826187828 608472164 /nfs/dbraw/zinc/47/21/64/608472164.db2.gz GCVRDEQXHZBDLL-ZDUSSCGKSA-N 1 0 396.451 2.563 20 0 GFADRO C[C@H]([NH2+]Cc1cccc(-c2nn[nH]n2)c1F)c1ccc(N2CCOC2=O)cc1 ZINC000824617879 608474598 /nfs/dbraw/zinc/47/45/98/608474598.db2.gz KRKBGKVZCNXYQD-LBPRGKRZSA-N 1 0 382.399 2.813 20 0 GFADRO C[C@@H]([NH2+]CCOc1ccccc1-c1nn[nH]n1)c1ccc(N2CCCC2=O)cc1 ZINC000824600207 608475911 /nfs/dbraw/zinc/47/59/11/608475911.db2.gz XYOMLHWBKJOBAC-OAHLLOKOSA-N 1 0 392.463 2.723 20 0 GFADRO COCC(=O)Nc1cccc(C[NH2+][C@H]2CCCc3cc(-c4nn[nH]n4)ccc32)c1 ZINC000826147897 608498793 /nfs/dbraw/zinc/49/87/93/608498793.db2.gz PPKPBCWNKKFUPA-IBGZPJMESA-N 1 0 392.463 2.619 20 0 GFADRO FC(F)(F)CN1CC[C@@H](C[NH2+][C@H]2CCCc3cc(-c4nn[nH]n4)ccc32)C1 ZINC000826367781 608502500 /nfs/dbraw/zinc/50/25/00/608502500.db2.gz NVEIFSBWUPMMAN-LRDDRELGSA-N 1 0 380.418 2.718 20 0 GFADRO CN(C)C(=O)[C@@H](Cc1ccccc1)[NH2+][C@@H]1CCCc2cc(-c3nn[nH]n3)ccc21 ZINC000825833642 608510834 /nfs/dbraw/zinc/51/08/34/608510834.db2.gz JQSJCHCVEZKMPS-WOJBJXKFSA-N 1 0 390.491 2.533 20 0 GFADRO CC[N@H+](Cc1cnc2ccc(-c3nn[nH]n3)cn12)[C@@H](C)Cc1ccc(OC)cc1 ZINC000825443903 608516832 /nfs/dbraw/zinc/51/68/32/608516832.db2.gz HBABEEMRUVIEIV-HNNXBMFYSA-N 1 0 391.479 2.976 20 0 GFADRO Cn1cc(C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C2CC2)c(-c2ccncc2)n1 ZINC000826360212 608520252 /nfs/dbraw/zinc/52/02/52/608520252.db2.gz BOYOSJCCGDRRKW-UHFFFAOYSA-N 1 0 386.463 2.827 20 0 GFADRO COc1cc(-c2nn[nH]n2)ccc1C[NH2+][C@H](C)c1cccc(-n2cccn2)c1 ZINC000826170311 608527627 /nfs/dbraw/zinc/52/76/27/608527627.db2.gz WCWYRRJNJZTRBJ-CQSZACIVSA-N 1 0 375.436 2.912 20 0 GFADRO Cc1c(O)ccc2c(C[NH2+]C3(c4cccc(-c5nn[nH]n5)c4)CC3)cc(=O)oc12 ZINC000826242867 608531086 /nfs/dbraw/zinc/53/10/86/608531086.db2.gz JSBZVHSNDPFEBO-UHFFFAOYSA-N 1 0 389.415 2.766 20 0 GFADRO CCc1ccc([C@@H](C)NC(=O)C[NH2+]C2(c3cccc(-c4nn[nH]n4)c3)CC2)cc1 ZINC000825703954 608533305 /nfs/dbraw/zinc/53/33/05/608533305.db2.gz ALEUHLUVLYUBLK-OAHLLOKOSA-N 1 0 390.491 2.885 20 0 GFADRO O[C@H](C[NH2+][C@H](c1ccccc1)C1CCOCC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000826502893 608535793 /nfs/dbraw/zinc/53/57/93/608535793.db2.gz MDWRTRLUZFPGSK-WOJBJXKFSA-N 1 0 379.464 2.658 20 0 GFADRO CC[C@@H]1Oc2cc([C@H](C)[NH2+]Cc3cccc(-c4nn[nH]n4)c3F)ccc2NC1=O ZINC000825220402 608538331 /nfs/dbraw/zinc/53/83/31/608538331.db2.gz SMCXSJXMVYIVOL-ZBEGNZNMSA-N 1 0 396.426 2.966 20 0 GFADRO COc1cc(-c2nn[nH]n2)ccc1C[NH2+][C@@H](C)c1ccc(-n2cccn2)cc1 ZINC000826170376 608551029 /nfs/dbraw/zinc/55/10/29/608551029.db2.gz YIUHWLKNQGVETC-AWEZNQCLSA-N 1 0 375.436 2.912 20 0 GFADRO COC[C@@H]([NH2+]CCCOc1cccc(-c2nn[nH]n2)c1)c1ccc(F)c(F)c1 ZINC000826150694 608552088 /nfs/dbraw/zinc/55/20/88/608552088.db2.gz JWDBQMYPKDGCTC-GOSISDBHSA-N 1 0 389.406 2.891 20 0 GFADRO OCC[N@@H+](Cc1cccc(OCc2ccccc2-c2nn[nH]n2)c1)CC1CC1 ZINC000826509769 608637649 /nfs/dbraw/zinc/63/76/49/608637649.db2.gz JHDXPCPBBDRULE-UHFFFAOYSA-N 1 0 379.464 2.650 20 0 GFADRO Fc1cc(-c2nn[nH]n2)ccc1N1CC[NH+](C[C@H]2C[C@H]2c2ccccc2)CC1 ZINC000826372349 608640904 /nfs/dbraw/zinc/64/09/04/608640904.db2.gz SHIQYCQQVKLZNC-MSOLQXFVSA-N 1 0 378.455 2.932 20 0 GFADRO COC(=O)[C@H](C)C[N@H+](Cc1ccccc1)Cc1cccc(-c2nn[nH]n2)c1F ZINC000826103869 608648043 /nfs/dbraw/zinc/64/80/43/608648043.db2.gz MRRZTMTVMUOIAE-CQSZACIVSA-N 1 0 383.427 2.817 20 0 GFADRO C[N@H+](CCn1cccn1)Cc1cccc(OCc2ccccc2-c2nn[nH]n2)c1 ZINC000825950021 608697798 /nfs/dbraw/zinc/69/77/98/608697798.db2.gz HQKQSJMXBXQRDR-UHFFFAOYSA-N 1 0 389.463 2.774 20 0 GFADRO CC(C)[C@H](CO)[N@H+](Cc1cnc2ccc(-c3nn[nH]n3)cn12)Cc1ccccc1 ZINC000824192218 608711584 /nfs/dbraw/zinc/71/15/84/608711584.db2.gz ISAITMQQOPKMJU-IBGZPJMESA-N 1 0 391.479 2.534 20 0 GFADRO CC(C)c1cnc(CN(C)[C@H]2CC[N@H+](Cc3ccc(-c4nn[nH]n4)s3)C2)o1 ZINC000824353071 608739015 /nfs/dbraw/zinc/73/90/15/608739015.db2.gz WQUJUFXAKFEEEN-ZDUSSCGKSA-N 1 0 387.513 2.746 20 0 GFADRO C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@@H+]1Cc1ccc(-c2nn[nH]n2)s1 ZINC000824892351 608844822 /nfs/dbraw/zinc/84/48/22/608844822.db2.gz HDMNNSKGZXYPHM-NWDGAFQWSA-N 1 0 378.502 2.806 20 0 GFADRO COc1cccc(N2CC[C@H]([NH2+][C@@H](C)c3ccc(-c4nn[nH]n4)c(F)c3)C2)c1 ZINC000826216534 609140119 /nfs/dbraw/zinc/14/01/19/609140119.db2.gz CODCXBFESCIPRB-ZFWWWQNUSA-N 1 0 382.443 2.944 20 0 GFADRO C[C@@H]1CC(C(=O)N2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)C[C@@H](C)C1 ZINC000824877435 609140555 /nfs/dbraw/zinc/14/05/55/609140555.db2.gz YDYFRHBYESQMEW-IRXDYDNUSA-N 1 0 396.539 2.973 20 0 GFADRO C[C@H]([NH2+]CC(C)(C)NC(=O)OC(C)(C)C)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824573460 609149746 /nfs/dbraw/zinc/14/97/46/609149746.db2.gz ZJZRCGBHTPUEEC-NSHDSACASA-N 1 0 378.452 2.960 20 0 GFADRO COc1ccccc1N1CC[C@H]([NH2+][C@H](C)c2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC000826220633 609150086 /nfs/dbraw/zinc/15/00/86/609150086.db2.gz UMVYDEIMHLGYQD-HIFRSBDPSA-N 1 0 382.443 2.944 20 0 GFADRO C[C@H]([NH2+]CC1CN(C(=O)OC(C)(C)C)C1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824577498 609154317 /nfs/dbraw/zinc/15/43/17/609154317.db2.gz LDCDMRBZDXUXGA-NSHDSACASA-N 1 0 376.436 2.523 20 0 GFADRO C[C@H]1CCC[N@H+](CCCCNC(=O)c2ccc(Cl)c(-c3nn[nH]n3)c2)C1 ZINC000824950153 609288565 /nfs/dbraw/zinc/28/85/65/609288565.db2.gz ZUPHUWQTPWKHIB-ZDUSSCGKSA-N 1 0 376.892 2.762 20 0 GFADRO C[C@@H]([NH2+]CC1(N2CCOCC2)CCCCC1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824577256 609323249 /nfs/dbraw/zinc/32/32/49/609323249.db2.gz IPWNZPOQGQWEMX-OAHLLOKOSA-N 1 0 388.491 2.692 20 0 GFADRO C[C@H]([NH2+]C1CCN(Cc2ccccn2)CC1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824554932 609327152 /nfs/dbraw/zinc/32/71/52/609327152.db2.gz SZYAUVCLWMAYQE-AWEZNQCLSA-N 1 0 381.459 2.716 20 0 GFADRO COc1ccccc1CC[NH2+]Cc1cn(C)nc1-c1ccc(-c2nn[nH]n2)cc1 ZINC000826219998 609335195 /nfs/dbraw/zinc/33/51/95/609335195.db2.gz YNNPOIHJJCAVMY-UHFFFAOYSA-N 1 0 389.463 2.608 20 0 GFADRO Brc1cc(-c2nn[nH]n2)ccc1C[N@H+](C[C@H]1CCOC1)C1CC1 ZINC000823821242 609358566 /nfs/dbraw/zinc/35/85/66/609358566.db2.gz QGKZTAOJXBEBEE-LLVKDONJSA-N 1 0 378.274 2.630 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CN(C)Cc1ccc(-c2nn[nH]n2)cc1Br ZINC000825453735 609363966 /nfs/dbraw/zinc/36/39/66/609363966.db2.gz WPATVNWMHZMBTG-AWEZNQCLSA-N 1 0 379.306 2.545 20 0 GFADRO Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)n1C[N@H+]1CC[C@@]2(CC[C@H](C)C2)C1 ZINC000826335074 609374209 /nfs/dbraw/zinc/37/42/09/609374209.db2.gz XCVIVJHODIGQMT-VBKZILBWSA-N 1 0 378.484 2.903 20 0 GFADRO CC(C)[N@H+](C)CCNC(=O)c1ccccc1Oc1ccccc1-c1nn[nH]n1 ZINC000824285049 609383227 /nfs/dbraw/zinc/38/32/27/609383227.db2.gz UYSLSTRMZIEOKB-UHFFFAOYSA-N 1 0 380.452 2.729 20 0 GFADRO COc1ccccc1[C@H](C)[NH2+][C@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000826218777 609408549 /nfs/dbraw/zinc/40/85/49/609408549.db2.gz KTKATJGWDXDUHS-KSSFIOAISA-N 1 0 392.463 2.722 20 0 GFADRO Cc1nc(C)c([C@@H](C)[NH2+][C@@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)s1 ZINC000826324149 609413734 /nfs/dbraw/zinc/41/37/34/609413734.db2.gz GFSWIGJDTUWBTL-MLGOLLRUSA-N 1 0 397.508 2.786 20 0 GFADRO O=C1[C@H]([NH2+][C@@H]2CCc3c2cccc3F)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826477108 609415567 /nfs/dbraw/zinc/41/55/67/609415567.db2.gz VUUUGRUNSNUOKL-RTBURBONSA-N 1 0 392.438 2.778 20 0 GFADRO O=C1[C@H]([NH2+]C[C@@H]2CCc3ccccc32)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826477019 609415756 /nfs/dbraw/zinc/41/57/56/609415756.db2.gz UIQAQQGKIUAJOK-FXAWDEMLSA-N 1 0 388.475 2.682 20 0 GFADRO O=C1[C@@H]([NH2+]C2CCC(F)(F)CC2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826477305 609417394 /nfs/dbraw/zinc/41/73/94/609417394.db2.gz ZLKVKOHNPVCRLY-HNNXBMFYSA-N 1 0 376.411 2.530 20 0 GFADRO C[C@H](NC(=O)Nc1cccc(-c2nn[nH]n2)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000824505520 609447267 /nfs/dbraw/zinc/44/72/67/609447267.db2.gz FKQBSXZZHCTYMA-MAUKXSAKSA-N 1 0 391.479 2.899 20 0 GFADRO C[N@@H+]1CCCN(C(=O)Nc2ccc(Oc3ccccc3-c3nn[nH]n3)cc2)CC1 ZINC000826033513 609493058 /nfs/dbraw/zinc/49/30/58/609493058.db2.gz FUOGNLRTQTWIHA-UHFFFAOYSA-N 1 0 393.451 2.828 20 0 GFADRO COc1cc(C[NH2+]CCOc2ccc(-c3nn[nH]n3)cc2)ccc1OC(F)F ZINC000826179308 609525635 /nfs/dbraw/zinc/52/56/35/609525635.db2.gz IUMZRICECJTTQM-UHFFFAOYSA-N 1 0 391.378 2.645 20 0 GFADRO Cc1ccnc(NCc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)c1-c1nn[nH]n1 ZINC000826314045 609533557 /nfs/dbraw/zinc/53/35/57/609533557.db2.gz CZTOPZJIFQHCRN-IYBDPMFKSA-N 1 0 393.495 2.791 20 0 GFADRO Cc1c(Cl)cnc(NCc2ccc(OCC[NH+](C)C)cc2)c1-c1nn[nH]n1 ZINC000826240271 609536203 /nfs/dbraw/zinc/53/62/03/609536203.db2.gz KWGPJPYBYABJBV-UHFFFAOYSA-N 1 0 387.875 2.776 20 0 GFADRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1nccc(C)c1-c1nn[nH]n1 ZINC000825416733 609566171 /nfs/dbraw/zinc/56/61/71/609566171.db2.gz LNKQGGGLFNWPQY-SFHVURJKSA-N 1 0 377.496 2.919 20 0 GFADRO Cc1c(Cl)cnc(NCC[N@@H+](C)Cc2ccc(F)cc2)c1-c1nn[nH]n1 ZINC000826239316 609568330 /nfs/dbraw/zinc/56/83/30/609568330.db2.gz CWVFUSDRHWGSNZ-UHFFFAOYSA-N 1 0 375.839 2.907 20 0 GFADRO Nc1c(Br)cc(Br)cc1C[NH2+]C[C@H](O)C(F)(F)F ZINC000274667190 655196317 /nfs/dbraw/zinc/19/63/17/655196317.db2.gz OJUAMQPGXJJJGI-QMMMGPOBSA-N 1 0 392.013 2.807 20 0 GFADRO CN(CCOc1ccc(Br)cc1)c1cc(-n2cccn2)nc(N)[nH+]1 ZINC000537873618 650825213 /nfs/dbraw/zinc/82/52/13/650825213.db2.gz UZFVPSOSOVUSTL-UHFFFAOYSA-N 1 0 389.257 2.522 20 0 GFADRO Cc1cc(NC(=O)CC[NH2+][C@H](CCO)c2ccccc2Br)no1 ZINC000541023188 650868988 /nfs/dbraw/zinc/86/89/88/650868988.db2.gz BSQYZDNVEALELT-CQSZACIVSA-N 1 0 382.258 2.787 20 0 GFADRO CC(=O)N/C(=C\c1cccs1)C(=O)N(CC[NH+](C)C)Cc1cccs1 ZINC000817543477 660199873 /nfs/dbraw/zinc/19/98/73/660199873.db2.gz RMGDMJILOHCVJT-ATVHPVEESA-N 1 0 377.535 2.877 20 0 GFADRO CCN(CCC[NH2+][C@@H](c1nc(Br)cs1)C1CC1)S(C)(=O)=O ZINC000817574607 660200976 /nfs/dbraw/zinc/20/09/76/660200976.db2.gz BPDVKXDMVXFBRT-GFCCVEGCSA-N 1 0 396.376 2.618 20 0 GFADRO Brc1csc([C@@H]([NH2+]C[C@@H]2COC3(CCOCC3)O2)C2CC2)n1 ZINC000817580564 660201534 /nfs/dbraw/zinc/20/15/34/660201534.db2.gz LHQCDQZTHZBNEP-YPMHNXCESA-N 1 0 389.315 2.868 20 0 GFADRO O=C(CCC[S@](=O)c1ccc(Br)cc1)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000818018979 660213952 /nfs/dbraw/zinc/21/39/52/660213952.db2.gz WYHILNCPPNALIO-HXOBKFHXSA-N 1 0 399.354 2.691 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)C[NH2+]C[C@H](O)c1ccc(F)cn1 ZINC000818942196 660236022 /nfs/dbraw/zinc/23/60/22/660236022.db2.gz GZXGEWNFKPEINS-HNNXBMFYSA-N 1 0 382.233 2.553 20 0 GFADRO COCC(=O)Nc1cccc(C[NH2+]C[C@H](O)c2ccccc2Br)c1 ZINC000818951899 660237542 /nfs/dbraw/zinc/23/75/42/660237542.db2.gz AQEYOLLKLXXZKL-KRWDZBQOSA-N 1 0 393.281 2.857 20 0 GFADRO CC(C)(C)OC(=O)NC[C@@](C)(O)C[NH2+]CCNc1ncc(Cl)cc1Cl ZINC000818961153 660237980 /nfs/dbraw/zinc/23/79/80/660237980.db2.gz MQJFLKDXFUHZEN-INIZCTEOSA-N 1 0 393.315 2.666 20 0 GFADRO CN(C[C@H](O)C[NH2+]CCNc1ncc(Cl)cc1Cl)C(=O)OC(C)(C)C ZINC000818961666 660238543 /nfs/dbraw/zinc/23/85/43/660238543.db2.gz UUOKZXVVTVGNDA-GFCCVEGCSA-N 1 0 393.315 2.618 20 0 GFADRO O=S(=O)(CC[NH2+]C[C@@H](O)c1c(F)cccc1F)c1ccc(Cl)cc1 ZINC000818971772 660239257 /nfs/dbraw/zinc/23/92/57/660239257.db2.gz APDMBDSXZVTTNE-OAHLLOKOSA-N 1 0 375.824 2.715 20 0 GFADRO COc1ccc(C(=O)NCC[NH2+]C[C@@H](O)c2cccc(Br)c2)cc1 ZINC000818967376 660238765 /nfs/dbraw/zinc/23/87/65/660238765.db2.gz UMURKUDWCAWEMS-QGZVFWFLSA-N 1 0 393.281 2.511 20 0 GFADRO CN(C)C(=O)CCC[NH2+]C[C@](C)(O)c1ccc(Br)cc1Cl ZINC000818975466 660240444 /nfs/dbraw/zinc/24/04/44/660240444.db2.gz XSLCHDQNQYAQBQ-HNNXBMFYSA-N 1 0 377.710 2.768 20 0 GFADRO O=C(CC[NH2+]CCS(=O)(=O)Cc1ccccc1)Nc1ccc(Cl)cc1 ZINC000818976346 660240529 /nfs/dbraw/zinc/24/05/29/660240529.db2.gz ASMJGWCSPHSKHR-UHFFFAOYSA-N 1 0 380.897 2.873 20 0 GFADRO COC(=O)COc1cccc(C[NH2+]C[C@H](O)c2cccc(Br)c2)c1 ZINC000819075874 660245604 /nfs/dbraw/zinc/24/56/04/660245604.db2.gz RORBDYVLFXOYIG-KRWDZBQOSA-N 1 0 394.265 2.824 20 0 GFADRO O=C(NCCC[NH2+]C[C@H](O)c1ccccc1)c1ccc(Br)cc1 ZINC000819001134 660242946 /nfs/dbraw/zinc/24/29/46/660242946.db2.gz HOUFZDCINKEHIO-KRWDZBQOSA-N 1 0 377.282 2.892 20 0 GFADRO CCS(=O)(=O)CC[NH2+]C[C@H](c1ccc(Cl)cc1)N1CCOC(C)(C)C1 ZINC000819016486 660243497 /nfs/dbraw/zinc/24/34/97/660243497.db2.gz LYZJTIGUTYTPAG-QGZVFWFLSA-N 1 0 388.961 2.516 20 0 GFADRO O[C@@H](C[NH2+][C@H]1CCN(c2ccccc2Br)C1)c1ccc(F)cn1 ZINC000819054940 660244798 /nfs/dbraw/zinc/24/47/98/660244798.db2.gz QFRCVDOWUXWEDA-GUYCJALGSA-N 1 0 380.261 2.885 20 0 GFADRO O[C@H](C[NH2+]CCCOC1CCOCC1)c1ccc(F)c(Br)c1 ZINC000819099796 660246570 /nfs/dbraw/zinc/24/65/70/660246570.db2.gz BMLISBIDZCVCGC-MRXNPFEDSA-N 1 0 376.266 2.797 20 0 GFADRO C[C@H](CO[C@@H]1CCOC1)[NH2+]C[C@](C)(O)c1ccc(Br)cc1F ZINC000819146728 660248012 /nfs/dbraw/zinc/24/80/12/660248012.db2.gz BZDSTDGXGKTDDR-KFNAQCHYSA-N 1 0 376.266 2.579 20 0 GFADRO CCC(=O)N1CC[C@@H]([NH2+]C[C@](C)(O)c2ccc(Br)cc2Cl)C1 ZINC000819162109 660248297 /nfs/dbraw/zinc/24/82/97/660248297.db2.gz OWTIAKNMDDGWJW-WBMJQRKESA-N 1 0 389.721 2.911 20 0 GFADRO O=S1(=O)CCCN1c1cccc(C[NH2+]C[C@H](O)c2ccccc2Cl)c1 ZINC000819235093 660251256 /nfs/dbraw/zinc/25/12/56/660251256.db2.gz MELWOONWDDVHCP-SFHVURJKSA-N 1 0 380.897 2.703 20 0 GFADRO O=C(N1CCCC1)N1CCC[C@H]([NH2+]C[C@@H](O)c2cccc(Br)c2)C1 ZINC000819305782 660254312 /nfs/dbraw/zinc/25/43/12/660254312.db2.gz USBXVINRXQXNDV-DLBZAZTESA-N 1 0 396.329 2.752 20 0 GFADRO Cc1cc(C[NH2+]C[C@@H](O)c2ccc(Br)cc2)nc(N2CCCC2)n1 ZINC000819328682 660255101 /nfs/dbraw/zinc/25/51/01/660255101.db2.gz IJSSDIFRBNSSOT-QGZVFWFLSA-N 1 0 391.313 2.971 20 0 GFADRO CCO[C@@H]1C[C@H]([NH2+]C[C@@H](O)c2ccc(F)c(Br)c2)[C@@H]1n1cccn1 ZINC000819333139 660255305 /nfs/dbraw/zinc/25/53/05/660255305.db2.gz KHNSJHFBSNAXBQ-HZMVEIRTSA-N 1 0 398.276 2.826 20 0 GFADRO Cc1cc(OC[C@H](O)C[NH2+]CCS(=O)(=O)C2CC2)c(C(C)C)cc1Cl ZINC000819368228 660257037 /nfs/dbraw/zinc/25/70/37/660257037.db2.gz DYHOGBLMLXPKJZ-CQSZACIVSA-N 1 0 389.945 2.678 20 0 GFADRO CCOC(=O)c1csc(CC[NH2+]C[C@H](O)c2ccccc2Br)n1 ZINC000819255438 660252124 /nfs/dbraw/zinc/25/21/24/660252124.db2.gz AGRPIFKZXZINFY-AWEZNQCLSA-N 1 0 399.310 2.948 20 0 GFADRO C[N@@H+]1C[C@@H]2CCCN(S(=O)(=O)/C=C/c3ccc(Br)cc3)[C@@H]2C1 ZINC000819913762 660274723 /nfs/dbraw/zinc/27/47/23/660274723.db2.gz OAEUYXJSCDRKJV-YBZQBRCDSA-N 1 0 385.327 2.776 20 0 GFADRO C[N@@H+]1CC[C@]2(CCN(C(=O)c3cc(Br)c4nccnc4c3)C2)C1 ZINC000820341446 660290001 /nfs/dbraw/zinc/29/00/01/660290001.db2.gz DCPMBKAPELIYMD-KRWDZBQOSA-N 1 0 375.270 2.560 20 0 GFADRO C[NH+]1CCC(OCC(=O)Nc2ccn(-c3ccc(Br)cc3)n2)CC1 ZINC000820537883 660296765 /nfs/dbraw/zinc/29/67/65/660296765.db2.gz ICUNMIGSDZESLW-UHFFFAOYSA-N 1 0 393.285 2.684 20 0 GFADRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)c3nc(Br)c4ccccn43)C2)C1 ZINC000820607867 660298946 /nfs/dbraw/zinc/29/89/46/660298946.db2.gz AMMKMEYFSLAHRP-QGZVFWFLSA-N 1 0 377.286 2.655 20 0 GFADRO C[C@H]1CN(C(=O)c2cc(Br)c3nccnc3c2)CC[N@@H+](C2CC2)C1 ZINC000820874450 660309114 /nfs/dbraw/zinc/30/91/14/660309114.db2.gz OZSJFSWUQMHRLL-GFCCVEGCSA-N 1 0 389.297 2.949 20 0 GFADRO O=C(C[NH+]1CCCC1)NC1CCN(Cc2ccc(Br)cc2)CC1 ZINC000820963905 660311324 /nfs/dbraw/zinc/31/13/24/660311324.db2.gz ASIPJTMIQWFTEH-UHFFFAOYSA-N 1 0 380.330 2.626 20 0 GFADRO CCn1ncc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1Br ZINC000821124988 660316730 /nfs/dbraw/zinc/31/67/30/660316730.db2.gz JDYKLBSQGVFEIS-SWLSCSKDSA-N 1 0 381.318 2.754 20 0 GFADRO CC[NH+](CC)CCN(C(=O)c1sccc1C(F)F)[C@@H]1CCS(=O)(=O)C1 ZINC000821330501 660321491 /nfs/dbraw/zinc/32/14/91/660321491.db2.gz UWCVFXCODALUHN-GFCCVEGCSA-N 1 0 394.509 2.657 20 0 GFADRO CCC[N@H+](CCn1cnc(Br)n1)[C@H](C)C(=O)Nc1ccccc1 ZINC000821390504 660324053 /nfs/dbraw/zinc/32/40/53/660324053.db2.gz BGFKUARNJVFGHK-CYBMUJFWSA-N 1 0 380.290 2.780 20 0 GFADRO CC[C@@H](CNC(=O)c1cc(Br)n[nH]1)[N@@H+]1CCc2ccccc2C1 ZINC000821497254 660327834 /nfs/dbraw/zinc/32/78/34/660327834.db2.gz WHNHQQFSRULTRO-AWEZNQCLSA-N 1 0 377.286 2.739 20 0 GFADRO CN(CC1C[NH+](C)C1)C(=O)Nc1cnc(Br)c(Br)c1 ZINC000821839017 660335046 /nfs/dbraw/zinc/33/50/46/660335046.db2.gz ATYUHCPPJURCDV-UHFFFAOYSA-N 1 0 392.095 2.632 20 0 GFADRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)c2cc3cc(Br)cnc3n2C)C1 ZINC000822152345 660340983 /nfs/dbraw/zinc/34/09/83/660340983.db2.gz QUWSHBVJVFEJKI-CQSZACIVSA-N 1 0 379.302 2.891 20 0 GFADRO COCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](C[C@@H](O)c2ccc(Cl)cc2Cl)C1 ZINC000822587440 660348986 /nfs/dbraw/zinc/34/89/86/660348986.db2.gz CSOQNYVWBXWIKJ-IIYDPXPESA-N 1 0 389.323 2.890 20 0 GFADRO C[N@H+](CC[C@@H]1CC1(Cl)Cl)CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000822711692 660352491 /nfs/dbraw/zinc/35/24/91/660352491.db2.gz OAPXMGCPWHRQNS-CYBMUJFWSA-N 1 0 394.343 2.581 20 0 GFADRO O=S(=O)(Cc1noc(C[C@@H]2CC[NH2+]C2)n1)c1cc(Cl)ccc1Cl ZINC000822901468 660357357 /nfs/dbraw/zinc/35/73/57/660357357.db2.gz WYYSVHLYDPWPSO-VIFPVBQESA-N 1 0 376.265 2.502 20 0 GFADRO C[C@H](CNC(=O)[C@@H]1CCO[C@H]1c1cncc(Br)c1)[NH+]1CCCCC1 ZINC000822953537 660358883 /nfs/dbraw/zinc/35/88/83/660358883.db2.gz LBMLFXORKGXWTO-XYPHTWIQSA-N 1 0 396.329 2.912 20 0 GFADRO C[C@H](c1noc(-c2cn(CCC[NH3+])nn2)n1)c1ccc(Br)cc1 ZINC000822996366 660359566 /nfs/dbraw/zinc/35/95/66/660359566.db2.gz LJNWSKIIMATWPR-JTQLQIEISA-N 1 0 377.246 2.591 20 0 GFADRO CC[C@H]1[NH2+]CC[C@H]1c1nc(CNC(=O)c2ccc(Br)cc2)no1 ZINC000823199809 660364746 /nfs/dbraw/zinc/36/47/46/660364746.db2.gz GVZVUWMQRCSJPV-CHWSQXEVSA-N 1 0 379.258 2.618 20 0 GFADRO CC[C@@H]1[NH2+]CC[C@@H]1c1nc(CNC(=O)c2ccc(Br)cc2)no1 ZINC000823199812 660364778 /nfs/dbraw/zinc/36/47/78/660364778.db2.gz GVZVUWMQRCSJPV-STQMWFEESA-N 1 0 379.258 2.618 20 0 GFADRO C[N@@H+]1C[C@@H]2CCCN(C(=O)c3cc4ccc(Br)cc4c(=O)o3)[C@@H]2C1 ZINC000823276188 660367063 /nfs/dbraw/zinc/36/70/63/660367063.db2.gz MCSPCOMMNGRREH-SWLSCSKDSA-N 1 0 391.265 2.722 20 0 GFADRO CC(C)[N@H+](CCS(C)(=O)=O)C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000823470736 660373051 /nfs/dbraw/zinc/37/30/51/660373051.db2.gz MWBZQGBJKLFQDY-JKSUJKDBSA-N 1 0 376.563 2.777 20 0 GFADRO COC(=O)[C@@H]1C[N@H+](CCC2OCCCO2)C[C@H]1c1ccc(Br)cc1 ZINC000823491947 660373475 /nfs/dbraw/zinc/37/34/75/660373475.db2.gz DHCVISIXMDSMGH-JKSUJKDBSA-N 1 0 398.297 2.791 20 0 GFADRO Cc1c(Br)nccc1NC(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000823571220 660375144 /nfs/dbraw/zinc/37/51/44/660375144.db2.gz BDOXHOGESGRFCY-ZDUSSCGKSA-N 1 0 385.306 2.727 20 0 GFADRO CC(C)[C@H](CNC(=O)OC(C)(C)C)C[NH2+]CCC1CCS(=O)(=O)CC1 ZINC000824037254 660384467 /nfs/dbraw/zinc/38/44/67/660384467.db2.gz HLJLQBAYEKJBAW-INIZCTEOSA-N 1 0 376.563 2.588 20 0 GFADRO CC(C)[N@@H+]1CC[C@H](CNC(=O)[C@]2(C)CC2(Br)Br)C1 ZINC000824295968 660389365 /nfs/dbraw/zinc/38/93/65/660389365.db2.gz UTXKFMBFRHXHRR-PWSUYJOCSA-N 1 0 382.140 2.729 20 0 GFADRO Cn1c(Cl)cnc1-c1csc(NC(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)n1 ZINC000824491810 660394273 /nfs/dbraw/zinc/39/42/73/660394273.db2.gz WITHGCMSVIDGOY-INIZCTEOSA-N 1 0 380.905 2.757 20 0 GFADRO C[N@@H+](Cc1cc(Br)cs1)C[C@@H](O)CNC(=O)OC(C)(C)C ZINC000824565398 660397333 /nfs/dbraw/zinc/39/73/33/660397333.db2.gz TVUKBMSBHXKRRG-NSHDSACASA-N 1 0 379.320 2.828 20 0 GFADRO C[C@@H](Cc1ccccc1C(F)(F)F)[NH2+]CCS(=O)(=O)C1CCOCC1 ZINC000824904284 660404717 /nfs/dbraw/zinc/40/47/17/660404717.db2.gz XANWEKYJIRCVEY-ZDUSSCGKSA-N 1 0 379.444 2.820 20 0 GFADRO Cn1nc(C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1Br ZINC000824936382 660405783 /nfs/dbraw/zinc/40/57/83/660405783.db2.gz XUIDXHCPJCMHLE-CQSZACIVSA-N 1 0 377.286 2.577 20 0 GFADRO Cn1c(C(=O)NC[C@@H]2C[NH2+]CCCO2)ccc1-c1ccccc1Br ZINC000825189116 660414221 /nfs/dbraw/zinc/41/42/21/660414221.db2.gz XLXMBRLDHXIGKC-ZDUSSCGKSA-N 1 0 392.297 2.563 20 0 GFADRO Cn1ncc(Br)c1C[NH2+]C[C@H](O)c1ccccc1Br ZINC000825342295 660421398 /nfs/dbraw/zinc/42/13/98/660421398.db2.gz BQLGKBVBOBKJFP-ZDUSSCGKSA-N 1 0 389.091 2.768 20 0 GFADRO C[C@@H]1CCC[C@](CNC(=O)c2c(Br)nc3n2CCC3)([NH+](C)C)C1 ZINC000825384770 660424287 /nfs/dbraw/zinc/42/42/87/660424287.db2.gz VFLNVAZXXWOHEE-PXAZEXFGSA-N 1 0 383.334 2.832 20 0 GFADRO COCCN(CC[NH+](C)C)C(=O)C(F)(F)c1ccc(Br)cc1 ZINC000826559151 660456812 /nfs/dbraw/zinc/45/68/12/660456812.db2.gz BEZDQXKJGDECQI-UHFFFAOYSA-N 1 0 379.245 2.578 20 0 GFADRO C[NH+](C)CCC[C@@H]1CN(C(=O)c2ncc(C(F)(F)F)cc2Cl)CCO1 ZINC000826696795 660461692 /nfs/dbraw/zinc/46/16/92/660461692.db2.gz ZVNHZDAFGKEHGQ-GFCCVEGCSA-N 1 0 379.810 2.937 20 0 GFADRO C[C@@H]1C[C@@H](C[NH2+]CC[S@@](=O)CC(F)(F)F)CCN1C(=O)OC(C)(C)C ZINC000826868040 660469217 /nfs/dbraw/zinc/46/92/17/660469217.db2.gz OQPZRXGLCZQXEO-UXGGDIESSA-N 1 0 386.480 2.923 20 0 GFADRO O=C1OCCN1[C@H]1CC[N@@H+](CC2=Cc3cc(Br)ccc3OC2)C1 ZINC000826994737 660475176 /nfs/dbraw/zinc/47/51/76/660475176.db2.gz MNDPKROTOVAIJP-HNNXBMFYSA-N 1 0 379.254 2.751 20 0 GFADRO C[N@@H+]1CC[C@H]2CN(C(=O)c3ccc(F)c(I)c3)CC[C@H]21 ZINC000827302673 660488397 /nfs/dbraw/zinc/48/83/97/660488397.db2.gz WVKWZQITIAORAH-SMDDNHRTSA-N 1 0 388.224 2.597 20 0 GFADRO CN1CC[NH+](C2CCN(C(=O)c3cc4ccnc(Cl)c4s3)CC2)CC1 ZINC000827425305 660494568 /nfs/dbraw/zinc/49/45/68/660494568.db2.gz KLAOELONRREXLB-UHFFFAOYSA-N 1 0 378.929 2.802 20 0 GFADRO Cc1cc(C(=O)N2CCC([NH+]3CCN(C)CC3)CC2)ccc1Br ZINC000827445373 660495918 /nfs/dbraw/zinc/49/59/18/660495918.db2.gz NEWVDAMXVAXQND-UHFFFAOYSA-N 1 0 380.330 2.610 20 0 GFADRO Cc1[nH]nc(Br)c1C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000827842391 660519085 /nfs/dbraw/zinc/51/90/85/660519085.db2.gz QMEGDBYIBIUCBU-WFASDCNBSA-N 1 0 391.313 2.979 20 0 GFADRO CC(C)(C)n1ncc(C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)c1Br ZINC000828450206 660548953 /nfs/dbraw/zinc/54/89/53/660548953.db2.gz RUYXEVLXNBQBBR-ZDUSSCGKSA-N 1 0 383.334 2.959 20 0 GFADRO O=C1CC[C@@H]([NH+]2CCN(c3ccc(C(F)(F)F)c(Cl)n3)CC2)CCN1 ZINC000829352656 660590209 /nfs/dbraw/zinc/59/02/09/660590209.db2.gz XRTQKRPVGFDMDA-LLVKDONJSA-N 1 0 376.810 2.545 20 0 GFADRO CCO[C@@H](CC[NH+](C)C)CNC(=O)c1ccc(C(F)(F)Br)nc1 ZINC000829852346 660617126 /nfs/dbraw/zinc/61/71/26/660617126.db2.gz VBVANSWWSROKSY-LBPRGKRZSA-N 1 0 394.260 2.612 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)Nc2nnc(-c3ccco3)s2)CC[C@@H]1C(F)(F)F ZINC000625848772 652373397 /nfs/dbraw/zinc/37/33/97/652373397.db2.gz GTGYYCXTOVAQJF-IUCAKERBSA-N 1 0 375.376 2.789 20 0 GFADRO Cn1cc(Br)c(C(=O)NC2CCC(C)([NH+]3CCCC3)CC2)cc1=O ZINC000830000789 660629423 /nfs/dbraw/zinc/62/94/23/660629423.db2.gz HZHAUMXEOAJRAI-UHFFFAOYSA-N 1 0 396.329 2.675 20 0 GFADRO COCC[N@H+]1[C@H](C)CN(C[C@@H](O)COc2ccc(Cl)c(Cl)c2)C[C@@H]1C ZINC000830043105 660631616 /nfs/dbraw/zinc/63/16/16/660631616.db2.gz ZFTRCVSAIGBPOS-QLFBSQMISA-N 1 0 391.339 2.774 20 0 GFADRO CCN([C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1)S(=O)(=O)c1c[nH]nc1Cl ZINC000830150688 660638569 /nfs/dbraw/zinc/63/85/69/660638569.db2.gz LSARYEBUCGRPHW-UKRRQHHQSA-N 1 0 382.917 2.909 20 0 GFADRO O=C([C@@H]1CCCC[N@@H+]1C1CCCC1)N1CCn2c(Br)cnc2C1 ZINC000830467511 660658642 /nfs/dbraw/zinc/65/86/42/660658642.db2.gz OKOFAYYTWMROLV-AWEZNQCLSA-N 1 0 381.318 2.785 20 0 GFADRO COC(=O)c1ccc(Br)cc1CN1CCOC2(CC[NH+](C)CC2)C1 ZINC000830652363 660668832 /nfs/dbraw/zinc/66/88/32/660668832.db2.gz NWAZXEFIZMYISB-UHFFFAOYSA-N 1 0 397.313 2.532 20 0 GFADRO Cc1ccccc1[C@H]([C@H](C)NC(=O)c1cc(Br)n(C)n1)[NH+](C)C ZINC000830729436 660676246 /nfs/dbraw/zinc/67/62/46/660676246.db2.gz RIZIMGFDTCJLED-LRDDRELGSA-N 1 0 379.302 2.912 20 0 GFADRO CC[C@@H](C[NH+]1CCCC1)NS(=O)(=O)c1cnc(Cl)c(Br)c1 ZINC000830808958 660681001 /nfs/dbraw/zinc/68/10/01/660681001.db2.gz SSFRKUXYQJHGOS-JTQLQIEISA-N 1 0 396.738 2.650 20 0 GFADRO [NH3+]CCCCCCNC(=O)N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000831146334 660699437 /nfs/dbraw/zinc/69/94/37/660699437.db2.gz FIPJDYGNZSBYFZ-OAHLLOKOSA-N 1 0 387.311 2.917 20 0 GFADRO C[N@H+](Cc1ccccc1)C1(CNC(=O)C2(Br)CC2)CCOCC1 ZINC000831595170 660714353 /nfs/dbraw/zinc/71/43/53/660714353.db2.gz KJNCMGWRQIJAII-UHFFFAOYSA-N 1 0 381.314 2.711 20 0 GFADRO CCO[C@@H](CNC(=O)c1ccc(Br)cc1SC)C[NH+](C)C ZINC000831707659 660721158 /nfs/dbraw/zinc/72/11/58/660721158.db2.gz JTPMNPBKCNNAQY-LBPRGKRZSA-N 1 0 375.332 2.868 20 0 GFADRO CCO[C@@H](CNC(=O)C1(c2cc(Br)ccc2OC)CC1)C[NH+](C)C ZINC000831714211 660722003 /nfs/dbraw/zinc/72/20/03/660722003.db2.gz VHWUNMHBRXVODW-AWEZNQCLSA-N 1 0 399.329 2.572 20 0 GFADRO Cc1cnc(N2CCN(C(=O)C[C@H]([NH3+])c3cc(C)nc(Cl)c3)CC2)s1 ZINC000831952251 660739141 /nfs/dbraw/zinc/73/91/41/660739141.db2.gz BALTXWGMYVCNGJ-AWEZNQCLSA-N 1 0 379.917 2.547 20 0 GFADRO CCO[C@@H]1COC[C@H]1[NH2+]C[C@@](C)(O)c1ccc(Br)cc1Cl ZINC000832455845 660780966 /nfs/dbraw/zinc/78/09/66/660780966.db2.gz QQDWHRVFBGAHTG-RBSFLKMASA-N 1 0 378.694 2.704 20 0 GFADRO O=C(C[NH2+][C@H](c1cccs1)C1(CO)CCC1)NCC(=O)c1cccs1 ZINC000832698127 660795960 /nfs/dbraw/zinc/79/59/60/660795960.db2.gz OLCXBJUICKTXMG-QGZVFWFLSA-N 1 0 378.519 2.602 20 0 GFADRO O=C(Cc1ccc(Cl)cc1Br)NC[C@@H]1CCCC[N@H+]1CCO ZINC000833559428 660808542 /nfs/dbraw/zinc/80/85/42/660808542.db2.gz OYKCSUZOJYPCSA-AWEZNQCLSA-N 1 0 389.721 2.608 20 0 GFADRO CCc1sc(C(=O)N2CCC[C@](O)(C[NH+](C)C)C2)cc1Br ZINC000834565834 660825039 /nfs/dbraw/zinc/82/50/39/660825039.db2.gz YTBROHZSLGWEMM-HNNXBMFYSA-N 1 0 375.332 2.602 20 0 GFADRO CCc1sc(C(=O)N2CCC[C@@](O)(C[NH+](C)C)C2)cc1Br ZINC000834565835 660825083 /nfs/dbraw/zinc/82/50/83/660825083.db2.gz YTBROHZSLGWEMM-OAHLLOKOSA-N 1 0 375.332 2.602 20 0 GFADRO Cc1ccc(-n2nc(Br)cc2C(=O)N2CCC(C)([NH3+])CC2)cc1 ZINC000834588976 660825726 /nfs/dbraw/zinc/82/57/26/660825726.db2.gz HRIZLMPRJWAQIT-UHFFFAOYSA-N 1 0 377.286 2.897 20 0 GFADRO C[C@@H](CC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1)n1cc(Br)cn1 ZINC000834718650 660831094 /nfs/dbraw/zinc/83/10/94/660831094.db2.gz HTBLMANTMSSJFL-VBNZEHGJSA-N 1 0 377.286 2.550 20 0 GFADRO Cn1nc2cc(Br)ccc2c1C(=O)NC[C@H]1[NH2+]CCc2ccccc21 ZINC000834765231 660832575 /nfs/dbraw/zinc/83/25/75/660832575.db2.gz RTVVJQLZZNQDQH-QGZVFWFLSA-N 1 0 399.292 2.953 20 0 GFADRO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]CCC1CC(F)(F)C1 ZINC000835062273 660840051 /nfs/dbraw/zinc/84/00/51/660840051.db2.gz ZOSBEIYAQWRMBL-LBPRGKRZSA-N 1 0 381.876 2.730 20 0 GFADRO O=S(=O)(CC[NH2+][C@H]1CCc2cc(Br)ccc21)C1CCOCC1 ZINC000834886487 660837094 /nfs/dbraw/zinc/83/70/94/660837094.db2.gz MPZPOVIPLQPHKW-INIZCTEOSA-N 1 0 388.327 2.620 20 0 GFADRO CC[C@H]1C[N@H+](C)CCN1C(=O)Nc1cc2c(cc1Br)OCCO2 ZINC000836222091 660896057 /nfs/dbraw/zinc/89/60/57/660896057.db2.gz SBRKCQFDCLYYPN-NSHDSACASA-N 1 0 384.274 2.778 20 0 GFADRO C[C@]1(CCNC(=O)N[C@H]2CCCC[C@H]2N2CCOCC2)CC1(Cl)Cl ZINC000836362789 660901779 /nfs/dbraw/zinc/90/17/79/660901779.db2.gz UKELWSHTYRQHLF-LZWOXQAQSA-N 1 0 378.344 2.903 20 0 GFADRO COc1nc(Br)ccc1NC(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000836558533 660915937 /nfs/dbraw/zinc/91/59/37/660915937.db2.gz WDHSDWKRZAFSHI-INIZCTEOSA-N 1 0 383.290 2.802 20 0 GFADRO C[C@]1(CNC(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)CC1(Cl)Cl ZINC000836590921 660918457 /nfs/dbraw/zinc/91/84/57/660918457.db2.gz WDSGMVVHRHFREO-IIAWOOMASA-N 1 0 378.344 2.637 20 0 GFADRO C[C@]1(CCNC(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CC1(Cl)Cl ZINC000836619421 660921371 /nfs/dbraw/zinc/92/13/71/660921371.db2.gz KCWLXTOFQPQRIP-FMKPAKJESA-N 1 0 378.344 2.637 20 0 GFADRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)Nc2ccnc(Br)c2)C1 ZINC000836695059 660932428 /nfs/dbraw/zinc/93/24/28/660932428.db2.gz CKMYLEUHSKWSHL-AWEZNQCLSA-N 1 0 385.306 2.809 20 0 GFADRO C[NH+](C)CCn1nccc1NC(=O)NCCc1ccc(Br)cc1F ZINC000836699092 660933099 /nfs/dbraw/zinc/93/30/99/660933099.db2.gz CTDYAWGWCKFQNC-UHFFFAOYSA-N 1 0 398.280 2.711 20 0 GFADRO Cc1cc(Br)nc(NC(=O)NC[C@@H](C(C)C)[NH+]2CCN(C)CC2)c1 ZINC000836759183 660938297 /nfs/dbraw/zinc/93/82/97/660938297.db2.gz KAWMIYPRKHHQFG-AWEZNQCLSA-N 1 0 398.349 2.546 20 0 GFADRO Cc1cc(Br)nc(NC(=O)NC[C@H](C(C)C)[NH+]2CCN(C)CC2)c1 ZINC000836759184 660938356 /nfs/dbraw/zinc/93/83/56/660938356.db2.gz KAWMIYPRKHHQFG-CQSZACIVSA-N 1 0 398.349 2.546 20 0 GFADRO Cc1cc(Br)nc(NC(=O)N(C)CC[N@H+](C)C2CCN(C)CC2)c1 ZINC000836760997 660939603 /nfs/dbraw/zinc/93/96/03/660939603.db2.gz XJJHPKOOPNFRKV-UHFFFAOYSA-N 1 0 398.349 2.642 20 0 GFADRO Cc1cc(Br)nc(NC(=O)N2CC[N@H+](C3CCOCC3)C[C@@H]2C)c1 ZINC000836767185 660942183 /nfs/dbraw/zinc/94/21/83/660942183.db2.gz XDLBZIIGZJQKPX-ZDUSSCGKSA-N 1 0 397.317 2.870 20 0 GFADRO COc1ccc(S(=O)(=O)NCC[NH+](C(C)C)C(C)C)cc1Br ZINC000012141721 654500107 /nfs/dbraw/zinc/50/01/07/654500107.db2.gz FVACBYOMNNZBQJ-UHFFFAOYSA-N 1 0 393.347 2.855 20 0 GFADRO O=C(C1CC[NH+](C[C@@H](O)c2cccc(Br)c2)CC1)N1CCCC1 ZINC000028965411 654573648 /nfs/dbraw/zinc/57/36/48/654573648.db2.gz HKONAADNNPSCBW-QGZVFWFLSA-N 1 0 381.314 2.817 20 0 GFADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)[C@@H](C)Oc2ccc(Br)cc2)C1 ZINC000032268147 654600407 /nfs/dbraw/zinc/60/04/07/654600407.db2.gz WJNPYARPNFCDAR-PBHICJAKSA-N 1 0 399.329 2.689 20 0 GFADRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)c2cn(-c3ccccc3Br)nn2)C1 ZINC000837186157 660976146 /nfs/dbraw/zinc/97/61/46/660976146.db2.gz NOZGAJAMJRIINN-ZDUSSCGKSA-N 1 0 392.301 2.585 20 0 GFADRO C[C@@H]1C[NH+](CCCNC(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)C[C@@H](C)O1 ZINC000041275591 654625419 /nfs/dbraw/zinc/62/54/19/654625419.db2.gz NZLZLQNWPFXWQU-VXGBXAGGSA-N 1 0 388.295 2.547 20 0 GFADRO CC(C)C[NH+]1CCN(C(=O)c2ccc(F)cc2I)CC1 ZINC000042829383 654645505 /nfs/dbraw/zinc/64/55/05/654645505.db2.gz PYIWSAJUYOEXHQ-UHFFFAOYSA-N 1 0 390.240 2.844 20 0 GFADRO C[C@@H]1C[N@@H+](CCCNC(=O)NCc2cc(Br)cs2)C[C@H](C)O1 ZINC000045455082 654668567 /nfs/dbraw/zinc/66/85/67/654668567.db2.gz SDGKLVYTJHBZKL-TXEJJXNPSA-N 1 0 390.347 2.809 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)NNC(=O)c1cc2c(s1)CCC2)c1ccsc1 ZINC000046347209 654679319 /nfs/dbraw/zinc/67/93/19/654679319.db2.gz NDVKPZPENLDKLN-ZDUSSCGKSA-N 1 0 378.523 2.545 20 0 GFADRO CC(C)[NH+](CCNC(=O)NC[C@H](O)c1ccccc1Br)C(C)C ZINC000837332722 660987102 /nfs/dbraw/zinc/98/71/02/660987102.db2.gz ALRMSSPLRACQKB-INIZCTEOSA-N 1 0 386.334 2.901 20 0 GFADRO CC[NH+](CC)[C@H](CNC(=O)[C@@H]1CS[C@@]2(C)CCC(=O)N12)c1ccsc1 ZINC000046945781 654687891 /nfs/dbraw/zinc/68/78/91/654687891.db2.gz RNXIPIUCVNZBDX-VKJFTORMSA-N 1 0 381.567 2.701 20 0 GFADRO C[NH+](C)[C@H](CNS(=O)(=O)c1ccccc1Br)Cc1ccccc1 ZINC000047032497 654689207 /nfs/dbraw/zinc/68/92/07/654689207.db2.gz WUWNECZBEQSWQE-HNNXBMFYSA-N 1 0 397.338 2.900 20 0 GFADRO COc1ccc(C(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)cc1Br ZINC000047433766 654694748 /nfs/dbraw/zinc/69/47/48/654694748.db2.gz JAJATINZMADOLF-STQMWFEESA-N 1 0 385.302 2.687 20 0 GFADRO C[NH+]1CCN(c2ccc(NC(=O)c3cc(Br)ccc3F)nc2)CC1 ZINC000047553213 654697313 /nfs/dbraw/zinc/69/73/13/654697313.db2.gz YHHYPYBBARIRND-UHFFFAOYSA-N 1 0 393.260 2.987 20 0 GFADRO CNS(=O)(=O)c1ccc(Cl)c(C(=O)OC[C@@H]2CCCC[N@@H+]2C(C)C)c1 ZINC000837371357 660989733 /nfs/dbraw/zinc/98/97/33/660989733.db2.gz AGMJMJSMWLLNPC-ZDUSSCGKSA-N 1 0 388.917 2.668 20 0 GFADRO O[C@H](COc1cccc(Br)c1)CN1CCC([NH+]2CCCC2)CC1 ZINC000051951810 654731027 /nfs/dbraw/zinc/73/10/27/654731027.db2.gz BPOMVHNVSYVGNP-KRWDZBQOSA-N 1 0 383.330 2.749 20 0 GFADRO Cc1sc(Br)cc1S(=O)(=O)NCc1ccc(CC[NH3+])cc1 ZINC000122292604 654732622 /nfs/dbraw/zinc/73/26/22/654732622.db2.gz NZCIURNNSLMJNF-UHFFFAOYSA-N 1 0 389.340 2.799 20 0 GFADRO Cc1sc(Br)cc1S(=O)(=O)N1C[C@@H]([NH3+])Cc2ccccc21 ZINC000122305101 654733095 /nfs/dbraw/zinc/73/30/95/654733095.db2.gz UFGUUSBLADYOJR-NSHDSACASA-N 1 0 387.324 2.898 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)c1cc(=O)[nH]c2c(Br)cccc12 ZINC000122315969 654733320 /nfs/dbraw/zinc/73/33/20/654733320.db2.gz LCWVZZGUGFBJNO-HZMBPMFUSA-N 1 0 378.270 2.633 20 0 GFADRO C[N@@H+]1CCC[C@@H]2CN(S(=O)(=O)c3cc(C(F)(F)F)ccc3F)CC[C@@H]21 ZINC000122419921 654736288 /nfs/dbraw/zinc/73/62/88/654736288.db2.gz JHWVCPQSZQEVNZ-RISCZKNCSA-N 1 0 380.407 2.949 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)C(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000122458303 654738345 /nfs/dbraw/zinc/73/83/45/654738345.db2.gz QYMRKUQYICJQBN-GFCCVEGCSA-N 1 0 382.302 2.544 20 0 GFADRO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)c2c(Br)nc3n2CCCC3)C1 ZINC000837447443 660997947 /nfs/dbraw/zinc/99/79/47/660997947.db2.gz RACIABZKXMVQTG-AWEZNQCLSA-N 1 0 395.345 2.786 20 0 GFADRO C[C@H](C[C@@H]1COCCN1C(=O)OC(C)(C)C)[NH2+]CC[S@@](=O)C(C)(C)C ZINC000122677125 654741986 /nfs/dbraw/zinc/74/19/86/654741986.db2.gz BWPOSOSFTUOTER-XGZNKIABSA-N 1 0 376.563 2.538 20 0 GFADRO Cc1ccc(NC(=O)C(=O)NC[C@H](C(C)C)[NH+]2CCCC2)c(Br)c1 ZINC000122828565 654743838 /nfs/dbraw/zinc/74/38/38/654743838.db2.gz KASHVGUJXDQDGP-MRXNPFEDSA-N 1 0 396.329 2.933 20 0 GFADRO S=C(NCCSc1ccccc1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000054943214 654765973 /nfs/dbraw/zinc/76/59/73/654765973.db2.gz KMGDRGUYLCTOII-UHFFFAOYSA-N 1 0 379.595 2.697 20 0 GFADRO CC[NH+](CC)[C@H](C)CNC(=O)[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000055326929 654773253 /nfs/dbraw/zinc/77/32/53/654773253.db2.gz NOIOMTNLLOHWIK-CZUORRHYSA-N 1 0 396.329 2.649 20 0 GFADRO CCC[N@H+](CC)CCNS(=O)(=O)c1c2ccccc2sc1C(=O)OC ZINC000124360130 654775208 /nfs/dbraw/zinc/77/52/08/654775208.db2.gz BXJXZFSOBDLHKQ-UHFFFAOYSA-N 1 0 384.523 2.698 20 0 GFADRO O=C1NCCCC[C@@H]1[NH2+]Cc1ccc(Br)c(Br)c1 ZINC000124514371 654777131 /nfs/dbraw/zinc/77/71/31/654777131.db2.gz NKIWFQPNDYLEOQ-LBPRGKRZSA-N 1 0 376.092 2.970 20 0 GFADRO COc1cc(C)c(Br)cc1S(=O)(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000124549397 654778434 /nfs/dbraw/zinc/77/84/34/654778434.db2.gz YSTBQUSOZICVJO-WCQYABFASA-N 1 0 391.331 2.562 20 0 GFADRO Cc1csc(N2CC[NH+](CCC(=O)N3CCc4sccc4C3)CC2)n1 ZINC000056494091 654796269 /nfs/dbraw/zinc/79/62/69/654796269.db2.gz VTAVDDULWOFECH-UHFFFAOYSA-N 1 0 376.551 2.610 20 0 GFADRO C[NH+](C)C[C@H]1CCN(C(=O)C(=O)Nc2ccc(C(F)(F)F)cc2Cl)C1 ZINC000125595151 654798932 /nfs/dbraw/zinc/79/89/32/654798932.db2.gz GBQGOGIAIMYKIH-SNVBAGLBSA-N 1 0 377.794 2.707 20 0 GFADRO C[C@H](CNC(=O)NCC(=O)Nc1ccc(Br)cc1)[NH+]1CCCCC1 ZINC000057163354 654802451 /nfs/dbraw/zinc/80/24/51/654802451.db2.gz RBBBAABOGBIHEK-CYBMUJFWSA-N 1 0 397.317 2.561 20 0 GFADRO C[C@H](CNC(=O)Cc1csc(NC(=O)c2cccs2)n1)[N@H+](C)C1CC1 ZINC000057715230 654808793 /nfs/dbraw/zinc/80/87/93/654808793.db2.gz NKXCELCMAJMILE-LLVKDONJSA-N 1 0 378.523 2.598 20 0 GFADRO CCC[N@@H+]1CCC[C@@H]1C(=O)NCC(=O)Nc1ccc(Br)c(C)c1 ZINC000126222791 654810552 /nfs/dbraw/zinc/81/05/52/654810552.db2.gz FXOHMSBENNZQMC-OAHLLOKOSA-N 1 0 382.302 2.687 20 0 GFADRO CN1CC[NH+](CCCCNC(=O)c2ccc(Br)cc2Cl)CC1 ZINC000058860421 654823288 /nfs/dbraw/zinc/82/32/88/654823288.db2.gz QGCYWEXNMOTPET-UHFFFAOYSA-N 1 0 388.737 2.860 20 0 GFADRO CC[N@@H+]1CC[C@H](CNC(=O)CCC(=O)c2cc(Br)ccc2OC)C1 ZINC000058926277 654824027 /nfs/dbraw/zinc/82/40/27/654824027.db2.gz XOPIDIHLJSHUKX-CYBMUJFWSA-N 1 0 397.313 2.879 20 0 GFADRO Cc1ccc(Br)c(S(=O)(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)c1 ZINC000128121001 654841112 /nfs/dbraw/zinc/84/11/12/654841112.db2.gz UFPUNJQQQWTDHN-OLZOCXBDSA-N 1 0 375.332 2.909 20 0 GFADRO C[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2cccc(Cl)c2SC(F)F)C1 ZINC000128289444 654843781 /nfs/dbraw/zinc/84/37/81/654843781.db2.gz BVFYGPGFIYLUKU-SECBINFHSA-N 1 0 377.844 2.661 20 0 GFADRO C[NH+](C)CCNC(=O)C1CCN(C(=O)Nc2cc(Cl)cc(Cl)c2)CC1 ZINC000062372452 654845407 /nfs/dbraw/zinc/84/54/07/654845407.db2.gz BHNVNMGXDYGGEG-UHFFFAOYSA-N 1 0 387.311 2.915 20 0 GFADRO O=C(c1ccccc1I)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000063198600 654850274 /nfs/dbraw/zinc/85/02/74/654850274.db2.gz RIKVBVAKEOEUFT-OAHLLOKOSA-N 1 0 384.261 2.895 20 0 GFADRO C[NH+](C)C1CCN(C(=O)c2ccc(-n3cc(Br)cn3)cc2)CC1 ZINC000063734964 654856699 /nfs/dbraw/zinc/85/66/99/654856699.db2.gz HMIWXBIXWOIWKD-UHFFFAOYSA-N 1 0 377.286 2.801 20 0 GFADRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)S(=O)(=O)c1ccc(OCC(F)(F)F)cc1 ZINC000266138719 654858948 /nfs/dbraw/zinc/85/89/48/654858948.db2.gz CLBLZISNYDPYQG-DOMZBBRYSA-N 1 0 380.432 2.588 20 0 GFADRO CCCOc1c(Cl)cc(C[NH2+]CCOCCS(C)(=O)=O)cc1OCC ZINC000266155274 654859863 /nfs/dbraw/zinc/85/98/63/654859863.db2.gz LQHDDUHGBSHWDS-UHFFFAOYSA-N 1 0 393.933 2.678 20 0 GFADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)[C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 ZINC000266181542 654861087 /nfs/dbraw/zinc/86/10/87/654861087.db2.gz YUFTYZNQJWQYTO-XHSDSOJGSA-N 1 0 384.307 2.553 20 0 GFADRO CCNC(=O)C[N@H+](CC)CCCOc1cccc(I)c1 ZINC000064140396 654863117 /nfs/dbraw/zinc/86/31/17/654863117.db2.gz BBLJWHHGYCAFPQ-UHFFFAOYSA-N 1 0 390.265 2.518 20 0 GFADRO OCC1CC[NH+](C[C@@H](O)COc2ccc(Cl)cc2Br)CC1 ZINC000064141736 654863220 /nfs/dbraw/zinc/86/32/20/654863220.db2.gz HHXXBLKKVQIQLI-CYBMUJFWSA-N 1 0 378.694 2.547 20 0 GFADRO CC[N@H+](C)C[C@H]1CCN(S(=O)(=O)c2sc(C)cc2Br)C1 ZINC000266266683 654867531 /nfs/dbraw/zinc/86/75/31/654867531.db2.gz FTNDEPLQMGIJFS-LLVKDONJSA-N 1 0 381.361 2.781 20 0 GFADRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)N(CCO)Cc1ccc(Cl)c(Cl)c1 ZINC000130207602 654884083 /nfs/dbraw/zinc/88/40/83/654884083.db2.gz VRHFJHDZKUMXRW-AWEZNQCLSA-N 1 0 386.323 2.982 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)[C@@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1)C1CC1 ZINC000065648004 654884186 /nfs/dbraw/zinc/88/41/86/654884186.db2.gz IGEKAPKIDSRURR-MLGOLLRUSA-N 1 0 384.307 2.803 20 0 GFADRO C[C@@H](CNC(=O)N1CC[C@H](C[NH+](C)C)C1)Oc1ccccc1Br ZINC000130254145 654885960 /nfs/dbraw/zinc/88/59/60/654885960.db2.gz DPJKRSDNBCHHRH-UONOGXRCSA-N 1 0 384.318 2.810 20 0 GFADRO Cc1nsc(N2CCC[N@H+](C[C@H](O)c3ccc(Br)cc3)CC2)n1 ZINC000266597404 654886403 /nfs/dbraw/zinc/88/64/03/654886403.db2.gz OWVYCSWLRPLSPR-HNNXBMFYSA-N 1 0 397.342 2.855 20 0 GFADRO C[C@@H]1CC[N@H+](CCOc2ccc(NC(=O)CSc3nncs3)cc2)C1 ZINC000266621226 654887325 /nfs/dbraw/zinc/88/73/25/654887325.db2.gz DWSVWOOPOUIBHM-CYBMUJFWSA-N 1 0 378.523 2.990 20 0 GFADRO Cc1n[nH]c(C(=O)N(CC[NH+](C)C)Cc2ccccc2F)c1Br ZINC000065893616 654889706 /nfs/dbraw/zinc/88/97/06/654889706.db2.gz JRICNVUELDOSKO-UHFFFAOYSA-N 1 0 383.265 2.824 20 0 GFADRO O=C(Nc1ccccc1Br)C(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000266795593 654894476 /nfs/dbraw/zinc/89/44/76/654894476.db2.gz XEOJGJDFLZRWPY-CQSZACIVSA-N 1 0 394.313 2.722 20 0 GFADRO C[C@H]([NH2+]C[C@H](c1ccsc1)N(C)C)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000266839039 654895984 /nfs/dbraw/zinc/89/59/84/654895984.db2.gz GIRCATLTZUIDMM-KBXCAEBGSA-N 1 0 381.567 2.952 20 0 GFADRO C[C@@H]([NH2+]C[C@H](c1ccsc1)N(C)C)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000266839045 654896136 /nfs/dbraw/zinc/89/61/36/654896136.db2.gz GIRCATLTZUIDMM-RDTXWAMCSA-N 1 0 381.567 2.952 20 0 GFADRO CCCS(=O)(=O)Nc1cccc(NC(=O)CSCC[NH+](CC)CC)c1 ZINC000266879531 654897342 /nfs/dbraw/zinc/89/73/42/654897342.db2.gz JGGRYKBOKGCWQC-UHFFFAOYSA-N 1 0 387.571 2.852 20 0 GFADRO CSc1nc(=O)[nH]c(C)c1C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000266995578 654903682 /nfs/dbraw/zinc/90/36/82/654903682.db2.gz WTXDMXBYVRWLPC-GFCCVEGCSA-N 1 0 378.523 2.841 20 0 GFADRO C[C@@H]1C[N@@H+](C2CCN(CC(=O)Nc3ccc(Br)cc3)CC2)CCO1 ZINC000066561740 654906192 /nfs/dbraw/zinc/90/61/92/654906192.db2.gz XISDIYKHSPFOQB-CQSZACIVSA-N 1 0 396.329 2.573 20 0 GFADRO C[C@@H](C(=O)NCCCC[N@@H+]1CCC[C@@H]1CO)c1ccc(Br)s1 ZINC000131429222 654906816 /nfs/dbraw/zinc/90/68/16/654906816.db2.gz GERJLROHDFHGFN-CHWSQXEVSA-N 1 0 389.359 2.967 20 0 GFADRO C[NH+](C)[C@@]1(CNC(=O)C[C@H]2Sc3ccc(Cl)cc3NC2=O)CCSC1 ZINC000267134997 654913104 /nfs/dbraw/zinc/91/31/04/654913104.db2.gz SLBNSBXYAUDHCS-RHSMWYFYSA-N 1 0 399.969 2.696 20 0 GFADRO CCOc1cc(C[NH2+]C[C@H]2CCCS2(=O)=O)ccc1OCC(F)(F)F ZINC000131726195 654915691 /nfs/dbraw/zinc/91/56/91/654915691.db2.gz MOBIIPVMCJQZOJ-CYBMUJFWSA-N 1 0 381.416 2.693 20 0 GFADRO CC(=O)Nc1ccc(S(=O)(=O)NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)cc1Cl ZINC000267191485 654916188 /nfs/dbraw/zinc/91/61/88/654916188.db2.gz LKHAHRBDSPCXBK-OLZOCXBDSA-N 1 0 387.933 2.697 20 0 GFADRO Oc1cccc(C[NH2+]C[C@@H](O)COc2ccc(I)cc2)c1 ZINC000066992963 654925047 /nfs/dbraw/zinc/92/50/47/654925047.db2.gz HDOXOYLNFGPKSP-OAHLLOKOSA-N 1 0 399.228 2.526 20 0 GFADRO O=C(/C=C/c1cc(Br)cs1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000267417397 654927857 /nfs/dbraw/zinc/92/78/57/654927857.db2.gz WEQYMQVNZAMLBV-AORQRIRUSA-N 1 0 385.327 2.705 20 0 GFADRO Cc1csc([C@](O)(CC(=O)NCC[NH+](C(C)C)C(C)C)C(F)(F)F)n1 ZINC000067284832 654935437 /nfs/dbraw/zinc/93/54/37/654935437.db2.gz FGYXFRUCTSSXLQ-OAHLLOKOSA-N 1 0 381.464 2.827 20 0 GFADRO C[C@@H](CNc1ncc(Br)cn1)[NH+]1CCN(c2ccccc2)CC1 ZINC000067351075 654936557 /nfs/dbraw/zinc/93/65/57/654936557.db2.gz PRWWKWGIDKNUNF-AWEZNQCLSA-N 1 0 376.302 2.862 20 0 GFADRO Cc1c(Br)cccc1NC(=O)NC[C@H](O)C[NH+]1CCC(C)CC1 ZINC000067572886 654941054 /nfs/dbraw/zinc/94/10/54/654941054.db2.gz JVZGYNJRZHQTEY-AWEZNQCLSA-N 1 0 384.318 2.972 20 0 GFADRO CCO[C@H](CC[NH+](C)C)CNC(=O)CSCC(=O)c1ccc(Cl)cc1 ZINC000267932140 654952724 /nfs/dbraw/zinc/95/27/24/654952724.db2.gz FVSOYDVUXOFEOI-MRXNPFEDSA-N 1 0 386.945 2.729 20 0 GFADRO C[NH+](C)C1(CNC(=O)C(=O)Nc2cc(F)ccc2Br)CCCC1 ZINC000268137601 654960445 /nfs/dbraw/zinc/96/04/45/654960445.db2.gz JQZYEYFSULUAEY-UHFFFAOYSA-N 1 0 386.265 2.517 20 0 GFADRO [NH3+]CC[C@H]1CCN(C(=O)Nc2ccc(I)cc2F)C1 ZINC000926175647 664683893 /nfs/dbraw/zinc/68/38/93/664683893.db2.gz ZRDVVEZTQOBRQD-VIFPVBQESA-N 1 0 377.201 2.633 20 0 GFADRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1ccc(F)cc1I ZINC000268293194 654966133 /nfs/dbraw/zinc/96/61/33/654966133.db2.gz ZSTMYYMRFLHTHX-XPTSAGLGSA-N 1 0 388.224 2.643 20 0 GFADRO COCC[C@@H](Cc1cccc(Br)c1)C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000133535514 654966396 /nfs/dbraw/zinc/96/63/96/654966396.db2.gz YQZKNGYFUBYFTB-RDJZCZTQSA-N 1 0 383.330 2.855 20 0 GFADRO CC(C)[N@H+](C)CCCNC(=O)c1c(F)cccc1I ZINC000268329250 654967175 /nfs/dbraw/zinc/96/71/75/654967175.db2.gz AMBAPYFHDZLYSJ-UHFFFAOYSA-N 1 0 378.229 2.890 20 0 GFADRO CCCC[NH+]1CCC(NS(=O)(=O)c2cc(C(=O)OC)ccc2Cl)CC1 ZINC000068903401 654969209 /nfs/dbraw/zinc/96/92/09/654969209.db2.gz PSKTYSAHXJHQQP-UHFFFAOYSA-N 1 0 388.917 2.669 20 0 GFADRO CC(C)(C[NH2+]CC1=Cc2cc(Cl)cc(Cl)c2OC1)NS(C)(=O)=O ZINC000068990453 654970980 /nfs/dbraw/zinc/97/09/80/654970980.db2.gz DRZUVXODLZNAEC-UHFFFAOYSA-N 1 0 379.309 2.687 20 0 GFADRO C[NH2+][C@@H]1CCCN(C(=O)c2c(C)c3cc(Br)ccc3oc2=O)C1 ZINC000133855500 654975370 /nfs/dbraw/zinc/97/53/70/654975370.db2.gz NJSMZBJMVHJJDO-GFCCVEGCSA-N 1 0 379.254 2.688 20 0 GFADRO CCC[N@H+](CC)CCNC(=O)N(C)C[C@H](O)c1ccccc1Br ZINC000838502730 661047829 /nfs/dbraw/zinc/04/78/29/661047829.db2.gz PNWXJDZQVQEISK-INIZCTEOSA-N 1 0 386.334 2.856 20 0 GFADRO Cn1ccnc1N1CCN(C(=O)c2ccc(Cl)cc2Br)CC1 ZINC000268532746 654976853 /nfs/dbraw/zinc/97/68/53/654976853.db2.gz DSSVUUBONBBMLS-UHFFFAOYSA-N 1 0 383.677 2.798 20 0 GFADRO C[NH2+][C@@H]1CCCN(C(=O)c2nn(-c3ccc(F)cc3)cc2Br)C1 ZINC000134039093 654981190 /nfs/dbraw/zinc/98/11/90/654981190.db2.gz UWFXEQQVQNQTEW-GFCCVEGCSA-N 1 0 381.249 2.598 20 0 GFADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)CCc1ccc(Br)cc1F ZINC000069502747 654982151 /nfs/dbraw/zinc/98/21/51/654982151.db2.gz BONSVCZSPFJAIX-OAHLLOKOSA-N 1 0 387.293 2.748 20 0 GFADRO C[C@@H]([NH2+]CCCOC[C@H]1CCCO1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000268738872 654985069 /nfs/dbraw/zinc/98/50/69/654985069.db2.gz OVSGVCGZLSCOTH-UKRRQHHQSA-N 1 0 377.453 2.919 20 0 GFADRO Brc1cccc(OCC[N@@H+]2CCC[C@H](CN3CCOCC3)C2)c1 ZINC000069857081 654987528 /nfs/dbraw/zinc/98/75/28/654987528.db2.gz DPVJSSDTHFBVJY-INIZCTEOSA-N 1 0 383.330 2.872 20 0 GFADRO O=C(NCc1ccc(Br)cc1)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000069937526 654990150 /nfs/dbraw/zinc/99/01/50/654990150.db2.gz YPBXCYCFJGSVRB-MRXNPFEDSA-N 1 0 396.329 2.703 20 0 GFADRO CC(C)NS(=O)(=O)[C@H]1CC[N@H+](CCc2cccc(OC(F)(F)F)c2)C1 ZINC000134366706 654992254 /nfs/dbraw/zinc/99/22/54/654992254.db2.gz FCECBAWUKGFJSS-HNNXBMFYSA-N 1 0 380.432 2.530 20 0 GFADRO COc1ccc(CN2CCN(CC[NH+]3CCCC3)CC2)cc1Br ZINC000070703334 654993452 /nfs/dbraw/zinc/99/34/52/654993452.db2.gz HQCHEJBYNIJDCZ-UHFFFAOYSA-N 1 0 382.346 2.671 20 0 GFADRO C[C@@H]([NH2+]C[C@H](O)COc1cccc(Br)c1)c1nnc2ccccn21 ZINC000070869367 654996437 /nfs/dbraw/zinc/99/64/37/654996437.db2.gz QWKZTAGYKVVMEY-OCCSQVGLSA-N 1 0 391.269 2.582 20 0 GFADRO COCCCN(CCSc1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000071119977 654999518 /nfs/dbraw/zinc/99/95/18/654999518.db2.gz OZIDPICHPCXHBQ-OAHLLOKOSA-N 1 0 377.959 2.958 20 0 GFADRO C[C@@H](NC(=O)c1c(F)cccc1I)[C@@H]1CCC[NH2+]C1 ZINC000269177727 655000631 /nfs/dbraw/zinc/00/06/31/655000631.db2.gz HIGQMBGPLGZFSZ-NXEZZACHSA-N 1 0 376.213 2.548 20 0 GFADRO Cc1ccc(-n2nc(Br)cc2C(=O)N2CCC(C[NH3+])CC2)cc1 ZINC000269192360 655001138 /nfs/dbraw/zinc/00/11/38/655001138.db2.gz RLILAUIZLSHDOI-UHFFFAOYSA-N 1 0 377.286 2.754 20 0 GFADRO C[C@@H](NC(=O)c1cnn(-c2cccc(Br)c2)c1)[C@H]1CCC[NH2+]C1 ZINC000269219039 655001949 /nfs/dbraw/zinc/00/19/49/655001949.db2.gz RPVPXSTYPWIWRQ-OLZOCXBDSA-N 1 0 377.286 2.753 20 0 GFADRO CC(C)(C)[C@H]([NH3+])C(=O)N1CCC(C(=O)Nc2cccc(Br)c2)CC1 ZINC000269211031 655001956 /nfs/dbraw/zinc/00/19/56/655001956.db2.gz CGBNEWOZUKRWBI-OAHLLOKOSA-N 1 0 396.329 3.000 20 0 GFADRO C[C@@H]1CN(C(=O)CCc2nc(-c3cc(Br)cs3)no2)CC[C@@H]1[NH3+] ZINC000269244058 655002941 /nfs/dbraw/zinc/00/29/41/655002941.db2.gz YYNAESGWESYQMI-KOLCDFICSA-N 1 0 399.314 2.689 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNc1ncc(S(N)(=O)=O)s1 ZINC000072073049 655003272 /nfs/dbraw/zinc/00/32/72/655003272.db2.gz LMTCHIMTJOZXAP-CYBMUJFWSA-N 1 0 380.539 2.777 20 0 GFADRO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)NCC[C@@]2(C)CC2(Cl)Cl)CC1 ZINC000838680257 661053621 /nfs/dbraw/zinc/05/36/21/661053621.db2.gz AZPRJSOXCXNWOI-RDJZCZTQSA-N 1 0 391.387 2.772 20 0 GFADRO CC[N@H+](C)CCNC(=O)c1cccc(NC(=O)c2ccc(Br)o2)c1 ZINC000079050517 655006707 /nfs/dbraw/zinc/00/67/07/655006707.db2.gz HBBPSJDHUBVTJJ-UHFFFAOYSA-N 1 0 394.269 2.976 20 0 GFADRO C[NH+](C)[C@H]1CCN(c2ccc(NC(=O)c3ccc(Br)o3)nc2)C1 ZINC000269442468 655009675 /nfs/dbraw/zinc/00/96/75/655009675.db2.gz RBWVBMWGRSTAGO-LBPRGKRZSA-N 1 0 379.258 2.830 20 0 GFADRO COCCC[N@H+](C)Cc1cc(I)c(OC)c(OC)c1 ZINC000092537377 655014400 /nfs/dbraw/zinc/01/44/00/655014400.db2.gz SRBHMMBHPWCVSX-UHFFFAOYSA-N 1 0 379.238 2.777 20 0 GFADRO COC(=O)CC[N@@H+](Cc1cnc2ccc(Br)cn12)C[C@@H]1CCCO1 ZINC000093460554 655019820 /nfs/dbraw/zinc/01/98/20/655019820.db2.gz OECBVMZOELAJSB-HNNXBMFYSA-N 1 0 396.285 2.641 20 0 GFADRO COC(=O)CC[N@@H+](Cc1cnc2ccc(Br)cn12)C[C@H]1CCCO1 ZINC000093460555 655019929 /nfs/dbraw/zinc/01/99/29/655019929.db2.gz OECBVMZOELAJSB-OAHLLOKOSA-N 1 0 396.285 2.641 20 0 GFADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(Cc2cnc(-c3ccsc3)s2)CC1 ZINC000093821151 655021303 /nfs/dbraw/zinc/02/13/03/655021303.db2.gz AZFOBKCTTGMWDR-INIZCTEOSA-N 1 0 376.551 2.610 20 0 GFADRO C[N@@H+]1CCC[C@@H](CCNC(=O)NC[C@@H](O)c2cccc(Br)c2)C1 ZINC000838768132 661056526 /nfs/dbraw/zinc/05/65/26/661056526.db2.gz APGSMAKYYHCJQR-XJKSGUPXSA-N 1 0 384.318 2.514 20 0 GFADRO O=S(=O)(c1c[nH]c2nccc(Cl)c12)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000093917640 655023712 /nfs/dbraw/zinc/02/37/12/655023712.db2.gz OSZNQTOICYRRLY-CYBMUJFWSA-N 1 0 382.917 2.855 20 0 GFADRO Cc1c(C(=O)N[C@@H]2CC[C@@H]([NH+](C)C)C2)nnn1-c1cccc(Br)c1 ZINC000093991113 655025684 /nfs/dbraw/zinc/02/56/84/655025684.db2.gz ORGTWMHOEDWKIV-ZIAGYGMSSA-N 1 0 392.301 2.551 20 0 GFADRO O=C(CCCc1ccc(Br)s1)NCCC[NH+]1CCC(O)CC1 ZINC000136116792 655027711 /nfs/dbraw/zinc/02/77/11/655027711.db2.gz HRXHQXBYMPMGHM-UHFFFAOYSA-N 1 0 389.359 2.796 20 0 GFADRO O=S(=O)(NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1cc(F)cc(Cl)c1 ZINC000270156149 655035456 /nfs/dbraw/zinc/03/54/56/655035456.db2.gz ITNDRWGGKMOWFR-IRXDYDNUSA-N 1 0 390.908 2.525 20 0 GFADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2cccc(Br)n2)[C@H](C)C1 ZINC000137107132 655037821 /nfs/dbraw/zinc/03/78/21/655037821.db2.gz BGVXMNUVPJVMLM-KGLIPLIRSA-N 1 0 384.318 2.711 20 0 GFADRO [NH3+][C@@H](CNC(=O)c1cccc(NC(=O)c2ccc(Br)o2)c1)C1CC1 ZINC000137498595 655040639 /nfs/dbraw/zinc/04/06/39/655040639.db2.gz KXEJZSCSUIPKNH-ZDUSSCGKSA-N 1 0 392.253 2.762 20 0 GFADRO C[C@@H](C[C@@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]CCS(=O)(=O)C(C)(C)C ZINC000138497773 655043097 /nfs/dbraw/zinc/04/30/97/655043097.db2.gz VQUGZAGRSZCWTP-GJZGRUSLSA-N 1 0 376.563 2.967 20 0 GFADRO COc1ccc(Br)cc1[C@@H]1CCC[N@@H+]1CCCN1C(=O)CNC1=O ZINC000101556872 655043759 /nfs/dbraw/zinc/04/37/59/655043759.db2.gz PTELJAQFBNLGLX-AWEZNQCLSA-N 1 0 396.285 2.537 20 0 GFADRO O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)c1occc1Br ZINC000270942715 655061053 /nfs/dbraw/zinc/06/10/53/655061053.db2.gz WPVLWNUYHKMXMC-ZBFHGGJFSA-N 1 0 393.281 2.655 20 0 GFADRO Cc1ccc(C(=O)Nc2cc(C(N)=O)ccc2C[NH+](C)C)c(Br)n1 ZINC000152721261 655061357 /nfs/dbraw/zinc/06/13/57/655061357.db2.gz IYNSBMIPHNHERD-UHFFFAOYSA-N 1 0 391.269 2.565 20 0 GFADRO CC(C)C[NH+]1CCC(NC(=O)N[C@@H](CO)c2ccc(Br)cc2)CC1 ZINC000271095397 655066622 /nfs/dbraw/zinc/06/66/22/655066622.db2.gz WEPRGDHGNJECEL-KRWDZBQOSA-N 1 0 398.345 2.902 20 0 GFADRO Cc1csc(=O)n1CCN(CCO)Cc1cc(Br)ccc1F ZINC000103142703 655067323 /nfs/dbraw/zinc/06/73/23/655067323.db2.gz UNBKORRNTHVWDB-UHFFFAOYSA-N 1 0 389.290 2.614 20 0 GFADRO COc1ccc(CNC(=O)NCCC2CC[NH+](C)CC2)cc1Br ZINC000103313491 655071068 /nfs/dbraw/zinc/07/10/68/655071068.db2.gz MJLWDVVDAMTJCP-UHFFFAOYSA-N 1 0 384.318 2.989 20 0 GFADRO C[N@H+](CC1CCS(=O)(=O)CC1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000271217706 655071253 /nfs/dbraw/zinc/07/12/53/655071253.db2.gz JDQZYQWFGNKXJY-JKSUJKDBSA-N 1 0 378.321 2.708 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)c1nccn2c(Br)cnc12)c1ccsc1 ZINC000271267550 655073628 /nfs/dbraw/zinc/07/36/28/655073628.db2.gz NUPAYRRKNQLLTR-LLVKDONJSA-N 1 0 394.298 2.586 20 0 GFADRO Cn1cc(C(=O)NCC2CC[NH+](Cc3ccc(Br)cc3)CC2)cn1 ZINC000104092131 655078730 /nfs/dbraw/zinc/07/87/30/655078730.db2.gz SGDCAHQNTCXOJK-UHFFFAOYSA-N 1 0 391.313 2.825 20 0 GFADRO C[C@H](NC(=O)COc1ccc(C=O)cc1Br)C(C)(C)C[NH+](C)C ZINC000155079182 655080755 /nfs/dbraw/zinc/08/07/55/655080755.db2.gz USEOFECRRJUTBF-LBPRGKRZSA-N 1 0 385.302 2.733 20 0 GFADRO C[C@H]([NH2+]CC1(CO)CCOCC1)c1ccccc1I ZINC000271500663 655083324 /nfs/dbraw/zinc/08/33/24/655083324.db2.gz LVXPJSPDAGNNNS-LBPRGKRZSA-N 1 0 375.250 2.731 20 0 GFADRO COc1c(Cl)cc(NC(=O)C(=O)N2CCC([NH2+]C(C)C)CC2)cc1Cl ZINC000271564061 655085869 /nfs/dbraw/zinc/08/58/69/655085869.db2.gz AKZMIUCVDABAGA-UHFFFAOYSA-N 1 0 388.295 2.930 20 0 GFADRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+]C[C@H](O)c2c(F)cccc2Cl)cc1 ZINC000271567915 655086085 /nfs/dbraw/zinc/08/60/85/655086085.db2.gz YSCOALWUAFOYKP-ZBEGNZNMSA-N 1 0 386.876 2.771 20 0 GFADRO C[NH+](C)C1(C(=O)N2CCN(Cc3ccc(Br)cc3)CC2)CCC1 ZINC000155792665 655087424 /nfs/dbraw/zinc/08/74/24/655087424.db2.gz DDLFSJYDTXDLQK-UHFFFAOYSA-N 1 0 380.330 2.578 20 0 GFADRO COc1cc([C@@H](C)[NH2+]C[C@@](C)(O)C(F)(F)F)ccc1S(=O)(=O)C(F)F ZINC000271596162 655087453 /nfs/dbraw/zinc/08/74/53/655087453.db2.gz YXFRDGGNIIQDBE-AMIZOPFISA-N 1 0 391.358 2.655 20 0 GFADRO C[C@@H](CNC(=O)NC[C@H](O)COc1cccc(Cl)c1Cl)[N@H+](C)C1CC1 ZINC000105270417 655089993 /nfs/dbraw/zinc/08/99/93/655089993.db2.gz JEWRKCDWKPDTCH-AAEUAGOBSA-N 1 0 390.311 2.515 20 0 GFADRO C[C@H](CNC(=O)CCOc1ccc(Cl)c(Cl)c1)C[NH+]1CCN(C)CC1 ZINC000105321073 655090559 /nfs/dbraw/zinc/09/05/59/655090559.db2.gz VHJVNKQDLKHNND-CQSZACIVSA-N 1 0 388.339 2.762 20 0 GFADRO C[C@H]([NH2+]CCNc1ncc(Cl)cc1Cl)c1cccc(S(N)(=O)=O)c1 ZINC000271669067 655090721 /nfs/dbraw/zinc/09/07/21/655090721.db2.gz IBKUBPBKDUFCEF-JTQLQIEISA-N 1 0 389.308 2.799 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)c2cc(=O)[nH]c3ccc(Br)cc32)C1 ZINC000156368507 655092400 /nfs/dbraw/zinc/09/24/00/655092400.db2.gz NCUOYAJESZNMRV-GHMZBOCLSA-N 1 0 378.270 2.902 20 0 GFADRO C[N@H+](CCn1cc(Br)cn1)CC1(CNC(=O)OC(C)(C)C)CC1 ZINC000839106060 661072177 /nfs/dbraw/zinc/07/21/77/661072177.db2.gz HQMNUZFFVMMLLQ-UHFFFAOYSA-N 1 0 387.322 2.882 20 0 GFADRO O=S1(=O)CC[C@@]2(C1)C[C@@H]([NH2+]Cc1cc(F)cc(C(F)(F)F)c1)CCO2 ZINC000271986718 655100267 /nfs/dbraw/zinc/10/02/67/655100267.db2.gz KLDHEXSUMLJIBA-GJZGRUSLSA-N 1 0 381.391 2.670 20 0 GFADRO C[NH2+]C(C)(C)CNC(=O)Nc1cnc(Br)c(Br)c1 ZINC000272006539 655100727 /nfs/dbraw/zinc/10/07/27/655100727.db2.gz JFCHYNXFKUHBIW-UHFFFAOYSA-N 1 0 380.084 2.726 20 0 GFADRO COc1cc(Br)c(CNC(=O)NCC2=CC[N@H+](C)CC2)cc1OC ZINC000272064313 655101419 /nfs/dbraw/zinc/10/14/19/655101419.db2.gz IMDMQQFMGYTUEW-UHFFFAOYSA-N 1 0 398.301 2.527 20 0 GFADRO C[NH+](C)[C@H]1CCCN(C(=O)CNC(=O)c2sc3ccccc3c2Cl)C1 ZINC000106364713 655107306 /nfs/dbraw/zinc/10/73/06/655107306.db2.gz VITBEHXIGJGHDS-LBPRGKRZSA-N 1 0 379.913 2.837 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccn(-c2cccc(Br)c2)n1 ZINC000106902909 655114088 /nfs/dbraw/zinc/11/40/88/655114088.db2.gz YUHQFRKRPKWIRH-OAHLLOKOSA-N 1 0 377.286 2.849 20 0 GFADRO COc1ccsc1S(=O)(=O)N[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272485841 655114596 /nfs/dbraw/zinc/11/45/96/655114596.db2.gz VMFLVFKLZUXPAR-GDBMZVCRSA-N 1 0 380.535 2.946 20 0 GFADRO CC(C)[N@H+](C)CCCNC(=O)C(=O)Nc1ccc(Cl)c(OC(F)F)c1 ZINC000272554174 655116091 /nfs/dbraw/zinc/11/60/91/655116091.db2.gz NRZFFUXDXFZBPY-UHFFFAOYSA-N 1 0 377.819 2.726 20 0 GFADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)Nc1cc(Br)nn1C ZINC000839364203 661081270 /nfs/dbraw/zinc/08/12/70/661081270.db2.gz ZPRIHUKZXNAMCJ-TZMCWYRMSA-N 1 0 377.286 2.889 20 0 GFADRO C[NH+](C)Cc1cccc(CNC(=O)c2sccc2S(=O)(=O)C(F)F)c1 ZINC000108256400 655129899 /nfs/dbraw/zinc/12/98/99/655129899.db2.gz AETPJNVQKRJFIC-UHFFFAOYSA-N 1 0 388.461 2.736 20 0 GFADRO OC[C@H]([NH2+]C[C@H](O)COc1ccccc1F)c1cccc(Br)c1 ZINC000273093752 655130119 /nfs/dbraw/zinc/13/01/19/655130119.db2.gz KATWJYOBKATZFM-HOCLYGCPSA-N 1 0 384.245 2.651 20 0 GFADRO C[C@@H]1CCC[C@](CNC(=O)c2sccc2S(=O)(=O)C(F)F)([NH+](C)C)C1 ZINC000108260910 655130163 /nfs/dbraw/zinc/13/01/63/655130163.db2.gz MYQBQGRACAZRLV-BZNIZROVSA-N 1 0 394.509 2.985 20 0 GFADRO O=C(Nc1cccc(I)c1)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000108496367 655134352 /nfs/dbraw/zinc/13/43/52/655134352.db2.gz JKGXQZPOIIMEIN-AWEZNQCLSA-N 1 0 385.249 2.897 20 0 GFADRO C[C@H]1C[C@@H](NC(=O)c2cnn(C)c2Br)CC[N@@H+]1Cc1ccccc1 ZINC000273264547 655137188 /nfs/dbraw/zinc/13/71/88/655137188.db2.gz UEVMDFQIFMMQNR-ZFWWWQNUSA-N 1 0 391.313 2.966 20 0 GFADRO C[NH+](C)CCN(Cc1ccccn1)C(=O)Nc1ccc(Br)nc1 ZINC000166048752 655141246 /nfs/dbraw/zinc/14/12/46/655141246.db2.gz GMHATNFRHZZJCE-UHFFFAOYSA-N 1 0 378.274 2.835 20 0 GFADRO COc1cc(C)c([C@@H](C)[NH2+]C[C@@H](O)CS(=O)(=O)c2cccs2)cc1C ZINC000273428615 655143201 /nfs/dbraw/zinc/14/32/01/655143201.db2.gz YTFAXWAIOCUJLM-HUUCEWRRSA-N 1 0 383.535 2.859 20 0 GFADRO O=C(NCCCC[NH+]1CCOCC1)[C@@H]1C[C@@H]1c1cccc(Br)c1 ZINC000109567359 655148866 /nfs/dbraw/zinc/14/88/66/655148866.db2.gz VSKBMWMYXFIHDW-IAGOWNOFSA-N 1 0 381.314 2.781 20 0 GFADRO Cn1nc(Br)c2c1ncnc2NC[C@H](c1cccs1)[NH+](C)C ZINC000110844435 655160391 /nfs/dbraw/zinc/16/03/91/655160391.db2.gz HWVUSMKCYPXEOZ-SECBINFHSA-N 1 0 381.303 2.902 20 0 GFADRO CCOC(=O)[C@@H](C)[C@H](C)[NH2+]CC(=O)Nc1ccc(Br)cc1F ZINC000273915316 655163900 /nfs/dbraw/zinc/16/39/00/655163900.db2.gz AVGPXMFGMKZJBQ-UWVGGRQHSA-N 1 0 375.238 2.704 20 0 GFADRO COc1ccc(Br)cc1S(=O)(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000173270596 655166037 /nfs/dbraw/zinc/16/60/37/655166037.db2.gz MCSBZYPEEHWKGG-WCQYABFASA-N 1 0 391.331 2.561 20 0 GFADRO CC(C)(Cc1ccc(Br)cc1)[NH2+]CCN1C(=O)NC(C)(C)C1=O ZINC000111252959 655167409 /nfs/dbraw/zinc/16/74/09/655167409.db2.gz XHXZEYBWOKBJCO-UHFFFAOYSA-N 1 0 382.302 2.690 20 0 GFADRO O=C(CC[N@@H+]1CCC[C@@H](N2CCCC2=O)C1)Nc1ccc(Br)cc1 ZINC000111291473 655168026 /nfs/dbraw/zinc/16/80/26/655168026.db2.gz XSFLPMIECWPKKR-MRXNPFEDSA-N 1 0 394.313 2.865 20 0 GFADRO O[C@@H](COc1ccc(Cl)cc1Br)C[N@H+]1[C@@H]2CC[C@H]1CC(O)C2 ZINC000111313544 655168550 /nfs/dbraw/zinc/16/85/50/655168550.db2.gz SRHJDPDMCYUCSZ-QNMSZWNNSA-N 1 0 390.705 2.830 20 0 GFADRO C[C@@H]([NH2+]CCN1CCN(c2ncccn2)CC1)c1cccc(Br)c1 ZINC000173332079 655168962 /nfs/dbraw/zinc/16/89/62/655168962.db2.gz QRARBYKFITVEQR-OAHLLOKOSA-N 1 0 390.329 2.712 20 0 GFADRO Cc1nc2n(n1)C[C@@H]([NH2+]Cc1nc(-c3cccc(Br)c3)c[nH]1)CC2 ZINC000111383949 655172507 /nfs/dbraw/zinc/17/25/07/655172507.db2.gz DHERIAGZHZMYPC-AWEZNQCLSA-N 1 0 387.285 2.844 20 0 GFADRO CC[NH+](CC)C[C@@H]1CCN(C(=O)c2cc(S(=O)(=O)CC)ccc2Cl)C1 ZINC000173593061 655175409 /nfs/dbraw/zinc/17/54/09/655175409.db2.gz DJPNCKQPEXYCOD-AWEZNQCLSA-N 1 0 386.945 2.938 20 0 GFADRO O=C1[C@@H]([NH2+]Cc2cncc(Br)c2)CCCN1Cc1ccccn1 ZINC000274232317 655180884 /nfs/dbraw/zinc/18/08/84/655180884.db2.gz FMMHWGMKGQSNCN-INIZCTEOSA-N 1 0 375.270 2.520 20 0 GFADRO CC[NH+]1CCC(CCNC(=O)c2sccc2S(=O)(=O)C(F)F)CC1 ZINC000174105992 655192452 /nfs/dbraw/zinc/19/24/52/655192452.db2.gz HBKHQGLQMPRPGE-UHFFFAOYSA-N 1 0 380.482 2.596 20 0 GFADRO CC(C)Oc1cc(Br)cc(C(=O)NC[C@H](C)N2CC[NH+](C)CC2)c1 ZINC000174232376 655194148 /nfs/dbraw/zinc/19/41/48/655194148.db2.gz SGIYMJCNVHLGNU-AWEZNQCLSA-N 1 0 398.345 2.602 20 0 GFADRO CC[NH+]1CCN(CCNC(=O)c2cc(Br)cc(OC(C)C)c2)CC1 ZINC000174229147 655194273 /nfs/dbraw/zinc/19/42/73/655194273.db2.gz CIYPJDNELRBVHS-UHFFFAOYSA-N 1 0 398.345 2.604 20 0 GFADRO O=C(Nc1ccccc1I)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000174235107 655194545 /nfs/dbraw/zinc/19/45/45/655194545.db2.gz PLNYDBKFUURHKK-GFCCVEGCSA-N 1 0 383.233 2.769 20 0 GFADRO C[N@@H+](Cc1cc(=O)[nH]c(C2CC2)n1)C[C@H](O)c1cccc(Br)c1 ZINC000839645401 661098440 /nfs/dbraw/zinc/09/84/40/661098440.db2.gz UMBRFLBICWLRPL-HNNXBMFYSA-N 1 0 378.270 2.988 20 0 GFADRO CC[NH+]1CCN([C@H](C)CNC(=O)[C@H](C)Oc2cccc(Cl)c2Cl)CC1 ZINC000112917531 655199856 /nfs/dbraw/zinc/19/98/56/655199856.db2.gz MTZIQPITPRGLAP-KGLIPLIRSA-N 1 0 388.339 2.903 20 0 GFADRO O=C1CCCN1[C@@H]1CCC[N@@H+](C[C@H](O)c2ccccc2Br)CC1 ZINC000839665552 661099209 /nfs/dbraw/zinc/09/92/09/661099209.db2.gz JCOMVUSXQGOYHP-PBHICJAKSA-N 1 0 381.314 2.959 20 0 GFADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)NCc2cccc(Br)c2)CC1 ZINC000174426863 655202285 /nfs/dbraw/zinc/20/22/85/655202285.db2.gz FVGSVUPDYUHZNK-HNNXBMFYSA-N 1 0 397.361 2.522 20 0 GFADRO O[C@]1(C[NH2+]Cc2ncc(Br)cc2Br)CCSC1 ZINC000274827711 655203754 /nfs/dbraw/zinc/20/37/54/655203754.db2.gz IRCSHMSWTABTDR-NSHDSACASA-N 1 0 382.121 2.564 20 0 GFADRO C[C@](O)(CNC(=O)NCC1CC[NH+](Cc2cccs2)CC1)C(F)(F)F ZINC000274964730 655209178 /nfs/dbraw/zinc/20/91/78/655209178.db2.gz RXHKOMOVRWUDIJ-HNNXBMFYSA-N 1 0 379.448 2.573 20 0 GFADRO C[NH+](C)C[C@H]1CCN(C(=O)c2cnn(-c3ccc(Br)cc3)c2)C1 ZINC000113452705 655210704 /nfs/dbraw/zinc/21/07/04/655210704.db2.gz FZBVKUZLFIZEJR-CYBMUJFWSA-N 1 0 377.286 2.659 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2cc(Cl)c(N)c(Cl)c2)C[C@@H]1C ZINC000839499035 661088011 /nfs/dbraw/zinc/08/80/11/661088011.db2.gz NCGJOOMHALHIMY-JQWIXIFHSA-N 1 0 387.311 2.845 20 0 GFADRO CC[N@H+](C)C[C@H]1CCN(C(=O)Cc2cc3c(cc2Br)OCCO3)C1 ZINC000175002033 655212136 /nfs/dbraw/zinc/21/21/36/655212136.db2.gz DHQLNWYPNUTLPR-CYBMUJFWSA-N 1 0 397.313 2.563 20 0 GFADRO COc1ccc(C[N@@H+]2CC[C@H](C(=O)NCC(F)(F)F)C2)cc1Br ZINC000275086098 655215952 /nfs/dbraw/zinc/21/59/52/655215952.db2.gz GHEXTKXXXUIVEP-NSHDSACASA-N 1 0 395.219 2.958 20 0 GFADRO COC(=O)c1ccc(Cl)c(C[N@@H+]2CC[C@@H](C(=O)NCC(F)(F)F)C2)c1 ZINC000275141965 655219201 /nfs/dbraw/zinc/21/92/01/655219201.db2.gz VREXEWQIYJNEFK-LLVKDONJSA-N 1 0 378.778 2.627 20 0 GFADRO C[C@@H]([NH2+][C@@H](C)c1cn[nH]c1)C(=O)Nc1ccc(I)cc1 ZINC000275229117 655224150 /nfs/dbraw/zinc/22/41/50/655224150.db2.gz VNVZIMINTBJTTK-VHSXEESVSA-N 1 0 384.221 2.692 20 0 GFADRO C[C@H](CNC(=O)NC[C@H]1CC[N@@H+](C2CC2)C1)Oc1ccccc1Br ZINC000175628076 655224246 /nfs/dbraw/zinc/22/42/46/655224246.db2.gz ZGCKJOUHGFXXNW-ZIAGYGMSSA-N 1 0 396.329 3.000 20 0 GFADRO C[C@@H](Oc1ccc(Br)cc1)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000175838949 655227897 /nfs/dbraw/zinc/22/78/97/655227897.db2.gz ULCVYYLHIFRWRM-CQSZACIVSA-N 1 0 397.313 2.540 20 0 GFADRO O=C(/C=C/c1ccc(Br)cc1)N1CC[NH+](C2CCOCC2)CC1 ZINC000175845404 655228421 /nfs/dbraw/zinc/22/84/21/655228421.db2.gz DKYSHUPYAJCTRB-ZZXKWVIFSA-N 1 0 379.298 2.786 20 0 GFADRO C[C@@H]([NH2+]C[C@H]1CCn2ncc(C(N)=O)c2C1)c1ccccc1Br ZINC000275365953 655232116 /nfs/dbraw/zinc/23/21/16/655232116.db2.gz BNMZTSISQKMPEA-NEPJUHHUSA-N 1 0 377.286 2.658 20 0 GFADRO CN(CC(=O)NC1CC[NH+](Cc2ccsc2)CC1)C(=O)c1cccs1 ZINC000115115997 655232760 /nfs/dbraw/zinc/23/27/60/655232760.db2.gz DAJYXRARXSEMMT-UHFFFAOYSA-N 1 0 377.535 2.662 20 0 GFADRO O=C(Nc1c(F)cccc1Br)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000176078782 655234454 /nfs/dbraw/zinc/23/44/54/655234454.db2.gz RCGGXOORABSNQZ-UHFFFAOYSA-N 1 0 398.276 2.517 20 0 GFADRO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)c1cc(I)c[nH]1 ZINC000115340705 655235622 /nfs/dbraw/zinc/23/56/22/655235622.db2.gz UDYUJBJAWVPGJM-CQSZACIVSA-N 1 0 397.260 2.522 20 0 GFADRO Cn1cc([C@H]2OCCC[C@@H]2[NH2+]Cc2cc3c(c(Br)c2)OCO3)cn1 ZINC000275442961 655236306 /nfs/dbraw/zinc/23/63/06/655236306.db2.gz FZWGBTSFTOYUBG-GOEBONIOSA-N 1 0 394.269 2.921 20 0 GFADRO CCOCCC[N@@H+]1CC[C@H](NS(=O)(=O)c2ccc(F)cc2Cl)[C@H](C)C1 ZINC000115591758 655240159 /nfs/dbraw/zinc/24/01/59/655240159.db2.gz FQFKRQGPHLBYLK-CJNGLKHVSA-N 1 0 392.924 2.894 20 0 GFADRO Cn1ccnc1CN(C(=O)c1occc1Br)[C@H]1CC12CC[NH2+]CC2 ZINC000275566811 655242038 /nfs/dbraw/zinc/24/20/38/655242038.db2.gz GCFIERXEXFQPMU-ZDUSSCGKSA-N 1 0 393.285 2.560 20 0 GFADRO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)c1ccc(Br)cn1 ZINC000116249314 655246840 /nfs/dbraw/zinc/24/68/40/655246840.db2.gz NFGQNOISWMJLDE-BBRMVZONSA-N 1 0 389.297 2.880 20 0 GFADRO CCO[C@H](CC[NH+](C)C)CNC(=O)CCc1cc(Br)cs1 ZINC000176896444 655259840 /nfs/dbraw/zinc/25/98/40/655259840.db2.gz PIOXMGKSIUAPQB-CYBMUJFWSA-N 1 0 377.348 2.916 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)c2csc(I)c2)C[N@@H+]1C1CC1 ZINC000177048302 655266237 /nfs/dbraw/zinc/26/62/37/655266237.db2.gz WRXDWDKLTMVWPN-PSASIEDQSA-N 1 0 376.263 2.708 20 0 GFADRO CC[C@H]1C[N@H+](CC)CCN1C(=O)CCN1C(=S)N=NC1c1cccs1 ZINC000839786167 661106809 /nfs/dbraw/zinc/10/68/09/661106809.db2.gz MMSULUUVQCZOHJ-ZDUSSCGKSA-N 1 0 379.555 2.628 20 0 GFADRO C[C@H]1C[C@H](NC(=O)c2ccn(-c3cccc(Br)c3)n2)C[N@@H+]1C1CC1 ZINC000177074181 655267121 /nfs/dbraw/zinc/26/71/21/655267121.db2.gz HDTSCWYSGHMHCI-JSGCOSHPSA-N 1 0 389.297 2.990 20 0 GFADRO Brc1cccc2c1cnn2CN1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000117864078 655269059 /nfs/dbraw/zinc/26/90/59/655269059.db2.gz WYTDLUXLOKBTPB-HNNXBMFYSA-N 1 0 393.329 2.801 20 0 GFADRO Cc1cc(S(=O)(=O)N2CC[C@@H](C[NH+](C)C)C2)c(C)cc1Br ZINC000117923390 655269689 /nfs/dbraw/zinc/26/96/89/655269689.db2.gz XHWVQLDNXZZJDM-ZDUSSCGKSA-N 1 0 375.332 2.638 20 0 GFADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)Nc1cc(OC)ccc1Br ZINC000118018136 655271194 /nfs/dbraw/zinc/27/11/94/655271194.db2.gz CNSAZRYSNRHXIL-LBPRGKRZSA-N 1 0 386.290 2.690 20 0 GFADRO C[S@](=O)c1cccc(NC(=O)NCC2([NH+]3CCSCC3)CCCC2)c1 ZINC000118038914 655271410 /nfs/dbraw/zinc/27/14/10/655271410.db2.gz YBYFQAVAVXYTJF-RUZDIDTESA-N 1 0 381.567 2.907 20 0 GFADRO Cc1csc(C(=O)NCC2=CC[N@H+](C)CC2)c1I ZINC000276375819 655273332 /nfs/dbraw/zinc/27/33/32/655273332.db2.gz PLIPYOQLARGWBY-UHFFFAOYSA-N 1 0 376.263 2.653 20 0 GFADRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)c2cc3c(c(Br)c2)OCO3)C1 ZINC000177291766 655273365 /nfs/dbraw/zinc/27/33/65/655273365.db2.gz VDKXRUFDIUZEQP-GFCCVEGCSA-N 1 0 383.286 2.886 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)/C=C/c2ccc(I)o2)C1 ZINC000177487638 655277367 /nfs/dbraw/zinc/27/73/67/655277367.db2.gz QKHIRODIQWNDMT-MJEUXHFXSA-N 1 0 388.249 2.886 20 0 GFADRO C[C@@H]1CCC[N@@H+]1C1CCN([C@H](C(N)=O)c2cccc(Br)c2)CC1 ZINC000118973896 655285160 /nfs/dbraw/zinc/28/51/60/655285160.db2.gz MNOLPKBJORSXJR-DYVFJYSZSA-N 1 0 380.330 2.924 20 0 GFADRO O=C(C1CCN(Cc2ccc(Br)c(F)c2)CC1)N1CCOCC1 ZINC000177674506 655285311 /nfs/dbraw/zinc/28/53/11/655285311.db2.gz ZZWJAZDCQZMTFE-UHFFFAOYSA-N 1 0 385.277 2.659 20 0 GFADRO C[C@H]1C[NH+](CCCCNC(=O)c2cc(Br)ccc2O)C[C@H](C)O1 ZINC000119105358 655290527 /nfs/dbraw/zinc/29/05/27/655290527.db2.gz QWXZCKUEBLOSPA-STQMWFEESA-N 1 0 385.302 2.774 20 0 GFADRO C[N@H+]1[C@@H]2CC[C@H]1CCN(C(=O)Cc1ccccc1I)C2 ZINC000119196930 655292743 /nfs/dbraw/zinc/29/27/43/655292743.db2.gz LDZYWIPQHQSSRZ-UONOGXRCSA-N 1 0 384.261 2.529 20 0 GFADRO O=C(CC[N@@H+]1CCC[C@H](Cn2ccnn2)C1)Nc1cccc(Br)c1 ZINC000119210533 655293233 /nfs/dbraw/zinc/29/32/33/655293233.db2.gz FKAVWRIJNMQYCH-AWEZNQCLSA-N 1 0 392.301 2.781 20 0 GFADRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)Nc1cc(Br)cn(C)c1=O ZINC000177984074 655293667 /nfs/dbraw/zinc/29/36/67/655293667.db2.gz VZUSLKRXYRVRNM-JHJVBQTASA-N 1 0 399.333 2.636 20 0 GFADRO CCC[C@@H]1CN(C(=O)Nc2cccnc2Br)CC[N@@H+]1CCOC ZINC000119360517 655300599 /nfs/dbraw/zinc/30/05/99/655300599.db2.gz WVEJGCPVISVNEN-CYBMUJFWSA-N 1 0 385.306 2.809 20 0 GFADRO CCN(CC)S(=O)(=O)c1ccc(CC[NH2+][C@H](C)c2cnn(CC)c2)s1 ZINC000119376061 655301514 /nfs/dbraw/zinc/30/15/14/655301514.db2.gz ROKSFZASLBEAMC-CQSZACIVSA-N 1 0 384.571 2.888 20 0 GFADRO O=C(c1cncc(I)c1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000119464405 655304760 /nfs/dbraw/zinc/30/47/60/655304760.db2.gz ZIXOPVIOOJXLIY-HNNXBMFYSA-N 1 0 399.276 2.777 20 0 GFADRO CC(C)[NH+]1CCC(O)(CNC(=O)c2cc(Br)c(F)cc2F)CC1 ZINC000277207470 655307941 /nfs/dbraw/zinc/30/79/41/655307941.db2.gz XLSQEDHVWVAVAJ-UHFFFAOYSA-N 1 0 391.256 2.692 20 0 GFADRO Cc1ccc(NC(=O)C(=O)N2CCC[C@H]([NH+](C)C)CC2)c(Br)c1 ZINC000277222692 655308479 /nfs/dbraw/zinc/30/84/79/655308479.db2.gz ZDJJOFWVRVHIDD-ZDUSSCGKSA-N 1 0 382.302 2.639 20 0 GFADRO OC[C@H](C[NH2+]C1CCC2(CC1)OCCO2)Cc1cccc(Br)c1 ZINC000277228571 655308621 /nfs/dbraw/zinc/30/86/21/655308621.db2.gz YMJFMCHLAOQTJD-HNNXBMFYSA-N 1 0 384.314 2.875 20 0 GFADRO Cc1c(Br)cc(C(=O)NCCC[NH+](C(C)C)C(C)C)c(=O)n1C ZINC000277320112 655312696 /nfs/dbraw/zinc/31/26/96/655312696.db2.gz DCIKTKOPTWUCRR-UHFFFAOYSA-N 1 0 386.334 2.695 20 0 GFADRO C[C@@H]1COCC[C@@H]1[NH2+]C[C@H](O)COc1ccc(Cl)cc1Br ZINC000277404136 655317511 /nfs/dbraw/zinc/31/75/11/655317511.db2.gz JFURUYSHFWMLEH-OSMZGAPFSA-N 1 0 378.694 2.857 20 0 GFADRO CC(C)n1cc(Br)cc1C(=O)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000119977803 655323747 /nfs/dbraw/zinc/32/37/47/655323747.db2.gz RYTYLIFQJMEWNM-UHFFFAOYSA-N 1 0 399.377 2.930 20 0 GFADRO CCC[C@@H]1CN(C(=O)Nc2cncc(Br)c2)CC[N@@H+]1CCOC ZINC000120043043 655325551 /nfs/dbraw/zinc/32/55/51/655325551.db2.gz YMPLASSHTSHPHW-OAHLLOKOSA-N 1 0 385.306 2.809 20 0 GFADRO NC(=O)[C@H]1CCC[C@H]([NH2+]Cc2nc(-c3cccc(Br)c3)c[nH]2)C1 ZINC000120101257 655327818 /nfs/dbraw/zinc/32/78/18/655327818.db2.gz IVWXQURKDCWXSA-JSGCOSHPSA-N 1 0 377.286 2.973 20 0 GFADRO COc1ccc([C@@H](C)[NH2+]CC(=O)N[C@H](C(C)=O)C(C)C)cc1Br ZINC000120155630 655329573 /nfs/dbraw/zinc/32/95/73/655329573.db2.gz WGWDXLVQJKWWQZ-DIFFPNOSSA-N 1 0 385.302 2.838 20 0 GFADRO Cc1nc(-c2cc3c(s2)CCN(CC(=O)N2CCO[C@@H](C)C2)C3)cs1 ZINC000180879695 655330937 /nfs/dbraw/zinc/33/09/37/655330937.db2.gz JCQOQEGLSJIPSE-LBPRGKRZSA-N 1 0 377.535 2.785 20 0 GFADRO Cc1cccc(NC(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)c1Br ZINC000120654910 655341404 /nfs/dbraw/zinc/34/14/04/655341404.db2.gz BCXITZSZNIRCHI-CYBMUJFWSA-N 1 0 383.334 2.763 20 0 GFADRO CN(CC1CC[NH+](C)CC1)Cn1nc2ccc(Br)cn2c1=S ZINC000839992933 661122517 /nfs/dbraw/zinc/12/25/17/661122517.db2.gz ZAUXIPXJQJKANK-UHFFFAOYSA-N 1 0 384.347 2.859 20 0 GFADRO Cc1cc(NC(=O)NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cnc1Br ZINC000182423714 655344012 /nfs/dbraw/zinc/34/40/12/655344012.db2.gz LYGYZCUPZXNGOA-BETUJISGSA-N 1 0 385.306 2.773 20 0 GFADRO COc1cccc(S(=O)(=O)CC[NH2+][C@H](c2cccs2)C(C)(C)CO)c1 ZINC000289250768 655344877 /nfs/dbraw/zinc/34/48/77/655344877.db2.gz CHFKGXNGGVLJGK-QGZVFWFLSA-N 1 0 383.535 2.880 20 0 GFADRO COCC[N@H+](C)CCCNC(=O)N[C@@H](C)Cc1cccc(Br)c1 ZINC000120843068 655345219 /nfs/dbraw/zinc/34/52/19/655345219.db2.gz CMVMZKPYGNMMQF-AWEZNQCLSA-N 1 0 386.334 2.648 20 0 GFADRO CC[NH+]1CCN([C@@H](C)CNC(=O)CCc2ccccc2Br)CC1 ZINC000120889126 655346021 /nfs/dbraw/zinc/34/60/21/655346021.db2.gz XAMSXEGZHZOVTH-HNNXBMFYSA-N 1 0 382.346 2.524 20 0 GFADRO COc1cc(C(=O)N2CCC[C@]3(CC[NH2+]C3)C2)cc(OC)c1Br ZINC000289336696 655346845 /nfs/dbraw/zinc/34/68/45/655346845.db2.gz WHMLLCOVCVLWNZ-QGZVFWFLSA-N 1 0 383.286 2.682 20 0 GFADRO COCc1cc(Cl)cc(S(=O)(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)c1 ZINC000289364380 655347645 /nfs/dbraw/zinc/34/76/45/655347645.db2.gz AOVGIYIXUHTHOB-MRXNPFEDSA-N 1 0 386.945 2.839 20 0 GFADRO C[C@H](NC(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1)C(C)(C)C[NH+](C)C ZINC000121083982 655347672 /nfs/dbraw/zinc/34/76/72/655347672.db2.gz JYRPSSKUNXHDLV-NSHDSACASA-N 1 0 377.457 2.781 20 0 GFADRO OC[C@H](C[C@H](O)c1ccccc1)[NH2+]Cc1cn2ccc(Br)cc2n1 ZINC000289426767 655348775 /nfs/dbraw/zinc/34/87/75/655348775.db2.gz DERFTNASDDFQRD-RDJZCZTQSA-N 1 0 390.281 2.671 20 0 GFADRO CC(=O)c1cc(S(=O)(=O)N(C)CC[C@@H]([NH3+])C(C)C)ccc1Br ZINC000183193267 655349566 /nfs/dbraw/zinc/34/95/66/655349566.db2.gz ZQUGZUGVHMRZFV-OAHLLOKOSA-N 1 0 391.331 2.646 20 0 GFADRO Cc1nc2sccn2c(=O)c1CC[NH2+][C@@H](C)[C@@H]1OCCc2sccc21 ZINC000292524062 655351937 /nfs/dbraw/zinc/35/19/37/655351937.db2.gz WLQCNNCTXLZEPW-LRDDRELGSA-N 1 0 375.519 2.961 20 0 GFADRO COCC1(C[NH2+]Cc2ccc(C(=O)OC)cc2Br)CCOCC1 ZINC000292722090 655354009 /nfs/dbraw/zinc/35/40/09/655354009.db2.gz FJVCAZDSSRNYKE-UHFFFAOYSA-N 1 0 386.286 2.769 20 0 GFADRO C[C@H](C[N@@H+]1CCC[C@@H](n2cc(CO)nn2)C1)c1cccc(Br)c1 ZINC000293770225 655361754 /nfs/dbraw/zinc/36/17/54/655361754.db2.gz YNBSPWBYVGKGDM-CXAGYDPISA-N 1 0 379.302 2.974 20 0 GFADRO Cc1ccc(F)c(NC(=O)C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1Br ZINC000296149496 655368196 /nfs/dbraw/zinc/36/81/96/655368196.db2.gz KKXLMKORQZOZST-YOGCLGLASA-N 1 0 398.276 2.577 20 0 GFADRO COC(=O)N1CCC([C@@H](C)[NH2+]CC(=O)Nc2ccc(Br)cc2)CC1 ZINC000186381332 655369264 /nfs/dbraw/zinc/36/92/64/655369264.db2.gz XRSXERZNTWTREQ-GFCCVEGCSA-N 1 0 398.301 2.844 20 0 GFADRO CCOc1cc(C[NH2+]Cc2cnn(CCOC)c2)cc(Br)c1O ZINC000298008931 655372062 /nfs/dbraw/zinc/37/20/62/655372062.db2.gz BZCUFSTWAXKDDA-UHFFFAOYSA-N 1 0 384.274 2.686 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)N(C)C[C@H](O)c2ccccc2Br)C[N@@H+]1C1CC1 ZINC000298118677 655372326 /nfs/dbraw/zinc/37/23/26/655372326.db2.gz ZEGKZGUDOPYUMX-IGCXYCKISA-N 1 0 396.329 2.749 20 0 GFADRO C[C@@]([NH2+]C[C@@H](O)c1ccc(F)c(Br)c1)(C(N)=O)c1ccccc1 ZINC000187222187 655373133 /nfs/dbraw/zinc/37/31/33/655373133.db2.gz STOUEOAJKFBDFI-WBVHZDCISA-N 1 0 381.245 2.612 20 0 GFADRO CC(C)N1C(=O)CN(C[N@@H+]2CC[C@@H](Cc3ccc(Br)cc3)C2)C1=O ZINC000840083873 661129964 /nfs/dbraw/zinc/12/99/64/661129964.db2.gz PPAUIKAOOSWXQL-HNNXBMFYSA-N 1 0 394.313 2.944 20 0 GFADRO CC(C)(C)OC(=O)NC[C@@H]1CCC[C@@H]1[NH2+]CCn1cc(Br)cn1 ZINC000309891058 655379004 /nfs/dbraw/zinc/37/90/04/655379004.db2.gz MJGCUUDXMAZRTE-JSGCOSHPSA-N 1 0 387.322 2.929 20 0 GFADRO C[C@@H]1CN(C(=O)C[C@H](O)c2cc(Cl)cc(Cl)c2)CC[N@@H+]1CC(C)(C)O ZINC000188620031 655381130 /nfs/dbraw/zinc/38/11/30/655381130.db2.gz BKGZLTOZGUMLCJ-WBMJQRKESA-N 1 0 389.323 2.721 20 0 GFADRO O=C(NC[C@@H]1CCCN(Cc2cccc(F)c2Br)C1)[C@H]1CCC[NH2+]1 ZINC000325233177 655384573 /nfs/dbraw/zinc/38/45/73/655384573.db2.gz FONHCNXMFBPLTE-XJKSGUPXSA-N 1 0 398.320 2.668 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)c1cc([N+](=O)[O-])ncc1Br)c1ccccc1 ZINC000326445961 655385072 /nfs/dbraw/zinc/38/50/72/655385072.db2.gz XOXYRKLCWLVCEQ-AWEZNQCLSA-N 1 0 393.241 2.785 20 0 GFADRO [NH3+]CC[C@H]1CN(Cc2cc(=O)n3cc(Br)ccc3n2)c2ccccc21 ZINC000327590316 655386347 /nfs/dbraw/zinc/38/63/47/655386347.db2.gz HTRQDMHIWJNJHM-ZDUSSCGKSA-N 1 0 399.292 2.910 20 0 GFADRO O=C1[C@H]([NH2+][C@H]2CCOc3c(Br)cccc32)CCN1C1CCOCC1 ZINC000328632926 655386991 /nfs/dbraw/zinc/38/69/91/655386991.db2.gz ARCDCCQFOYRAGQ-JKSUJKDBSA-N 1 0 395.297 2.642 20 0 GFADRO O=C1N[C@H](c2ccc(Br)cc2)C(=O)N1[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000349233851 655388767 /nfs/dbraw/zinc/38/87/67/655388767.db2.gz JJQLQTCHLUGCMC-SOUVJXGZSA-N 1 0 378.270 2.669 20 0 GFADRO COc1ccc([C@H]2NC(=O)N(C[C@@H](C)[N@H+](C)C3CC3)C2=O)cc1Br ZINC000349366780 655389443 /nfs/dbraw/zinc/38/94/43/655389443.db2.gz NGRZACMMYBPARR-MEBBXXQBSA-N 1 0 396.285 2.533 20 0 GFADRO COc1ccc([C@@H]2NC(=O)N(CC3([NH+](C)C)CCC3)C2=O)cc1Br ZINC000349437508 655390309 /nfs/dbraw/zinc/39/03/09/655390309.db2.gz JCQIYMLZSFLESZ-AWEZNQCLSA-N 1 0 396.285 2.535 20 0 GFADRO O=C(NCCOc1cccc(Br)c1)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000363206081 655391510 /nfs/dbraw/zinc/39/15/10/655391510.db2.gz BIQFTGWQEGMQSR-GJZGRUSLSA-N 1 0 382.302 2.754 20 0 GFADRO O=C(NCCOc1cccc(Br)c1)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000363206080 655391583 /nfs/dbraw/zinc/39/15/83/655391583.db2.gz BIQFTGWQEGMQSR-CABCVRRESA-N 1 0 382.302 2.754 20 0 GFADRO O=S1(=O)CC[C@@H]([NH2+]C2CCN(Cc3cccc(Cl)c3Cl)CC2)C1 ZINC000365232505 655392397 /nfs/dbraw/zinc/39/23/97/655392397.db2.gz DYWCEYPEKCHMGR-CQSZACIVSA-N 1 0 377.337 2.735 20 0 GFADRO Cc1c([C@H](C)[NH2+]C2CCN(S(=O)(=O)C(F)(F)F)CC2)cnn1C(C)C ZINC000191337486 655397817 /nfs/dbraw/zinc/39/78/17/655397817.db2.gz ZCMRCWHXOALVHM-NSHDSACASA-N 1 0 382.452 2.737 20 0 GFADRO C[C@@H](Oc1ccccc1Br)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000366198802 655399827 /nfs/dbraw/zinc/39/98/27/655399827.db2.gz VUINLXZSAASULZ-HIFRSBDPSA-N 1 0 397.313 2.586 20 0 GFADRO O=C(Cc1ccccc1I)NC1CC([NH+]2CCCCC2)C1 ZINC000366587181 655400174 /nfs/dbraw/zinc/40/01/74/655400174.db2.gz ZELHHXQYJTTXSH-UHFFFAOYSA-N 1 0 398.288 2.967 20 0 GFADRO O=C1CCCN1C[N@H+]1CC[C@@H](Cc2cccc(I)c2)C1 ZINC000840109896 661134193 /nfs/dbraw/zinc/13/41/93/661134193.db2.gz ZBKZIRFHEFOPBY-AWEZNQCLSA-N 1 0 384.261 2.736 20 0 GFADRO Cc1nc(CN2CCC[C@@H]([NH2+][C@@H](C)c3ncc(Br)s3)C2)no1 ZINC000369519551 655401407 /nfs/dbraw/zinc/40/14/07/655401407.db2.gz MPXRPXRKXAOJKF-GXSJLCMTSA-N 1 0 386.319 2.912 20 0 GFADRO CC[NH2+]CCNC(=O)N1CCC[C@H]1c1ccccc1I ZINC000418321325 655405417 /nfs/dbraw/zinc/40/54/17/655405417.db2.gz YSXWHONHKKPUJS-AWEZNQCLSA-N 1 0 387.265 2.747 20 0 GFADRO CC[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000418343724 655405762 /nfs/dbraw/zinc/40/57/62/655405762.db2.gz APNGTPHQJHZCHW-IRXDYDNUSA-N 1 0 395.345 2.589 20 0 GFADRO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1c1ccc(-c2ccc(Br)s2)nn1 ZINC000418997931 655406321 /nfs/dbraw/zinc/40/63/21/655406321.db2.gz LVBDEXHIVXACOY-NWDGAFQWSA-N 1 0 397.342 2.859 20 0 GFADRO O=S(=O)(c1ccc(Cl)c(Br)c1)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000420477963 655407549 /nfs/dbraw/zinc/40/75/49/655407549.db2.gz VMSJEXXTLZHLMR-CYBMUJFWSA-N 1 0 379.707 2.619 20 0 GFADRO O=S(=O)(N1CCC([NH2+][C@@H]2CCCNc3ccccc32)CC1)C(F)(F)F ZINC000192949211 655407648 /nfs/dbraw/zinc/40/76/48/655407648.db2.gz GYMFWZZEOMWZFN-OAHLLOKOSA-N 1 0 377.432 2.837 20 0 GFADRO CCCN(CC[NH+](CC)CC)C(=O)C(=O)Nc1cc(Br)cnc1C ZINC000453710703 655412194 /nfs/dbraw/zinc/41/21/94/655412194.db2.gz FRLPQXLEXXPMOO-UHFFFAOYSA-N 1 0 399.333 2.671 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCc1nc2c(cccc2Br)[nH]1 ZINC000562675738 655424080 /nfs/dbraw/zinc/42/40/80/655424080.db2.gz SUCBUHOPRFBDRY-GFCCVEGCSA-N 1 0 394.317 2.951 20 0 GFADRO O=C(CC[NH2+][C@H]1C[C@H]2CCCCN2C1=O)Nc1cccc(Br)c1 ZINC000566063939 655424521 /nfs/dbraw/zinc/42/45/21/655424521.db2.gz RUJYAEKAIBBYJY-CABCVRRESA-N 1 0 380.286 2.521 20 0 GFADRO CCC[N@H+](CC)C[C@H](C)NC(=O)Cc1cc2c(cc1Br)OCCO2 ZINC000567206568 655425194 /nfs/dbraw/zinc/42/51/94/655425194.db2.gz PQEGIVRJKBALTO-ZDUSSCGKSA-N 1 0 399.329 2.999 20 0 GFADRO Cn1cc(Cl)c(CNC(=O)NCC2CC[NH+](Cc3cccs3)CC2)n1 ZINC000574155226 655425695 /nfs/dbraw/zinc/42/56/95/655425695.db2.gz UDOVVLPXYVVYGV-UHFFFAOYSA-N 1 0 381.933 2.846 20 0 GFADRO C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)[C@@H]2CC[NH2+][C@H]2C)CC1 ZINC000574154463 655425744 /nfs/dbraw/zinc/42/57/44/655425744.db2.gz GABHUOBTAWAAMD-JJRVBVJISA-N 1 0 380.330 2.652 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H](CNS(=O)(=O)c2ccc(Cl)cc2Br)C1 ZINC000574202592 655426349 /nfs/dbraw/zinc/42/63/49/655426349.db2.gz NKQLWOQKNSUKPN-MWLCHTKSSA-N 1 0 381.723 2.898 20 0 GFADRO C[C@H](C[NH3+])CNC(=O)c1cc(I)cc(C(F)(F)F)c1 ZINC000237564107 655426406 /nfs/dbraw/zinc/42/64/06/655426406.db2.gz LYLJENJETGXQER-SSDOTTSWSA-N 1 0 386.155 2.635 20 0 GFADRO O=C(C[C@H]1CSCC[NH2+]1)Nc1cc(Cl)ccc1C(=O)N1CCCCC1 ZINC000237858464 655426728 /nfs/dbraw/zinc/42/67/28/655426728.db2.gz IJBRZHRJNJNYJJ-AWEZNQCLSA-N 1 0 381.929 3.000 20 0 GFADRO CN(C)CC[N@H+](C)CCCN(C)C(=O)c1cc(Br)c(F)cc1F ZINC000574236906 655426859 /nfs/dbraw/zinc/42/68/59/655426859.db2.gz PEJAWFNHXGQOPY-UHFFFAOYSA-N 1 0 392.288 2.683 20 0 GFADRO O[C@@H]1C[C@@H]([C@@H]2CCCOC2)[N@H+](Cc2nc3cc(Br)ccc3o2)C1 ZINC000574269932 655427632 /nfs/dbraw/zinc/42/76/32/655427632.db2.gz UDTMYWGBQWLZLJ-KYOSRNDESA-N 1 0 381.270 2.952 20 0 GFADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)C[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000246097775 655429016 /nfs/dbraw/zinc/42/90/16/655429016.db2.gz AMDYNNWTDGUBRU-JKSUJKDBSA-N 1 0 375.296 2.644 20 0 GFADRO CCN(CC[NH+]1CCCCCC1)S(=O)(=O)c1cncc(Br)c1 ZINC000574354056 655429586 /nfs/dbraw/zinc/42/95/86/655429586.db2.gz MKRXUURAXGICAL-UHFFFAOYSA-N 1 0 390.347 2.731 20 0 GFADRO C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)[C@@H]1CCN(c2cc(Cl)ccc2Cl)C1=O ZINC000574811185 655431169 /nfs/dbraw/zinc/43/11/69/655431169.db2.gz FQRMLCHWHQVTHM-BQNAKDMGSA-N 1 0 384.307 2.849 20 0 GFADRO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)/C=C\c1ccc(I)o1 ZINC000255013594 655436436 /nfs/dbraw/zinc/43/64/36/655436436.db2.gz ACFNNLJOIHWKLD-VGVVRCBHSA-N 1 0 388.249 2.696 20 0 GFADRO C[C@H](C[C@@H]1COCCN1)[NH2+][C@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O ZINC000575172926 655436720 /nfs/dbraw/zinc/43/67/20/655436720.db2.gz XLANGJDGKOINJT-XPKDYRNWSA-N 1 0 386.323 2.845 20 0 GFADRO O=S(=O)(c1ccc(C(F)(F)F)cc1F)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000575802087 655437354 /nfs/dbraw/zinc/43/73/54/655437354.db2.gz CHXQYXFFWFXMEN-LBPRGKRZSA-N 1 0 380.407 2.855 20 0 GFADRO CC[C@H](C)[N@H+](C)CCNC(=O)/C=C\c1ccc(I)o1 ZINC000255332377 655438346 /nfs/dbraw/zinc/43/83/46/655438346.db2.gz QHDADHWSSWFMJO-JYKYSHPRSA-N 1 0 376.238 2.744 20 0 GFADRO COC[C@]1(CNC(=O)c2cnn(-c3ccc(Cl)cc3Cl)c2)CCC[NH2+]1 ZINC000575915667 655439851 /nfs/dbraw/zinc/43/98/51/655439851.db2.gz ISGLXRCNKXUBMB-QGZVFWFLSA-N 1 0 383.279 2.678 20 0 GFADRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)/C=C\c1ccc(I)o1 ZINC000255726402 655440337 /nfs/dbraw/zinc/44/03/37/655440337.db2.gz JKJQUYWKFWTWSB-VFFGBVLKSA-N 1 0 388.249 2.698 20 0 GFADRO Brc1cc(CN2CC[NH2+]C[C@H]2c2cccnc2)cc2c1OCCO2 ZINC000261800321 655442377 /nfs/dbraw/zinc/44/23/77/655442377.db2.gz VVANDJKBOIUNEE-INIZCTEOSA-N 1 0 390.281 2.762 20 0 GFADRO O=C(CN1CCC([NH2+]CC2CC2)CC1)Nc1ccc(Br)cc1F ZINC000261820303 655442501 /nfs/dbraw/zinc/44/25/01/655442501.db2.gz WNUOWBWCHJQBNF-UHFFFAOYSA-N 1 0 384.293 2.991 20 0 GFADRO O=C1[C@H]([NH2+][C@@H](CO)c2cccc(Br)c2)CCCN1CC(F)(F)F ZINC000576101728 655443286 /nfs/dbraw/zinc/44/32/86/655443286.db2.gz OBZLHEAOPOWBCP-OLZOCXBDSA-N 1 0 395.219 2.625 20 0 GFADRO O=C(NCC1C[NH2+]C1)c1cc2cc(Br)cc(Br)c2o1 ZINC000261984114 655443417 /nfs/dbraw/zinc/44/34/17/655443417.db2.gz WYCYGTANQYFWSF-UHFFFAOYSA-N 1 0 388.059 2.907 20 0 GFADRO O=C1[C@H]([NH2+]Cc2cnn(-c3ccc(Br)cc3)c2)C[C@@H]2CCCCN12 ZINC000576110818 655443491 /nfs/dbraw/zinc/44/34/91/655443491.db2.gz OCAMJVNEFINYDY-DLBZAZTESA-N 1 0 389.297 2.878 20 0 GFADRO CC1=CC[N@H+](CCNC(=O)NCc2nc3c(cccc3Br)[nH]2)CC1 ZINC000576324223 655445552 /nfs/dbraw/zinc/44/55/52/655445552.db2.gz DVQCUEGIDOTZIN-UHFFFAOYSA-N 1 0 392.301 2.777 20 0 GFADRO Cc1cc(Br)cc(C)c1S(=O)(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000576400025 655446768 /nfs/dbraw/zinc/44/67/68/655446768.db2.gz YFVTWLQROTVBPD-INIZCTEOSA-N 1 0 387.343 2.830 20 0 GFADRO Cc1nc2ccc(C[NH2+]CCNS(=O)(=O)c3ccc(C)cc3)cc2s1 ZINC000576738623 655452076 /nfs/dbraw/zinc/45/20/76/655452076.db2.gz GRSFULUCCVDXJQ-UHFFFAOYSA-N 1 0 375.519 2.981 20 0 GFADRO O=S(=O)(CCN1CC[C@@H](O)CC12CCC2)c1cccc(Br)c1 ZINC000576972572 655455770 /nfs/dbraw/zinc/45/57/70/655455770.db2.gz XFZNVUAWVQCSQD-CQSZACIVSA-N 1 0 388.327 2.602 20 0 GFADRO CC(C)[NH2+]CCCNC(=O)C(=O)Nc1cc(Cl)ccc1OC(F)(F)F ZINC000577078866 655457256 /nfs/dbraw/zinc/45/72/56/655457256.db2.gz JJFCWVPGLFTZJC-UHFFFAOYSA-N 1 0 381.782 2.681 20 0 GFADRO C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)c1[nH]nc(-c2ccccc2)c1Br ZINC000577374619 655458173 /nfs/dbraw/zinc/45/81/73/655458173.db2.gz DGYUMSPMHWOEKQ-JTNHKYCSSA-N 1 0 377.286 2.956 20 0 GFADRO Cc1cc(C)cc(OC[C@@H](O)C[N@H+](C)CCn2cc(Br)cn2)c1 ZINC000577478416 655460708 /nfs/dbraw/zinc/46/07/08/655460708.db2.gz LCXUUXZETSVSQH-INIZCTEOSA-N 1 0 382.302 2.634 20 0 GFADRO OCc1cccc(C[NH2+]C[C@@H](O)COc2cc(F)cc(Br)c2)c1 ZINC000577721952 655465642 /nfs/dbraw/zinc/46/56/42/655465642.db2.gz AHKIYUCGKVQTSV-MRXNPFEDSA-N 1 0 384.245 2.610 20 0 GFADRO O=C(CC[NH2+]C[C@@H](O)COc1ccccc1Br)Nc1ccccc1 ZINC000577730491 655465953 /nfs/dbraw/zinc/46/59/53/655465953.db2.gz QPCFFGQNIJVKJF-OAHLLOKOSA-N 1 0 393.281 2.807 20 0 GFADRO COCC[NH2+]C1CCN([C@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)CC1 ZINC000577737187 655466142 /nfs/dbraw/zinc/46/61/42/655466142.db2.gz KQNNVKNTXBHRIA-KRWDZBQOSA-N 1 0 386.323 2.799 20 0 GFADRO C[NH+](C)[C@H]1CCC[C@H](NS(=O)(=O)c2c(F)cccc2OC(F)(F)F)C1 ZINC000577847850 655468390 /nfs/dbraw/zinc/46/83/90/655468390.db2.gz LEMZZMNXVJRDKF-QWRGUYRKSA-N 1 0 384.395 2.875 20 0 GFADRO O=C(C[NH2+]C[C@@H]1CCCO1)NCCc1cc(Cl)ccc1Br ZINC000577947754 655469955 /nfs/dbraw/zinc/46/99/55/655469955.db2.gz YRCPLYCKLVFIKO-ZDUSSCGKSA-N 1 0 375.694 2.530 20 0 GFADRO CC(C)[N@H+](C)Cc1cccc(CNC(=O)Cn2cc(Br)cn2)c1 ZINC000264791516 655470579 /nfs/dbraw/zinc/47/05/79/655470579.db2.gz SWTGPWAUPOVHBA-UHFFFAOYSA-N 1 0 379.302 2.802 20 0 GFADRO C[C@@H]([NH2+]C[C@H]1CS(=O)(=O)c2ccccc2O1)c1cncc(Br)c1 ZINC000578084254 655472222 /nfs/dbraw/zinc/47/22/22/655472222.db2.gz UJOHZDFQJJTKRK-RISCZKNCSA-N 1 0 397.294 2.730 20 0 GFADRO CS(=O)(=O)N1CC[C@H]([NH2+][C@H]2CCc3c2cc(Br)cc3Cl)C1 ZINC000578136782 655473440 /nfs/dbraw/zinc/47/34/40/655473440.db2.gz CODPMFSKPHNRNK-HZMBPMFUSA-N 1 0 393.734 2.713 20 0 GFADRO CSC1(CNS(=O)(=O)c2cccc(OC(F)(F)F)c2)CC[NH+](C)CC1 ZINC000578178456 655473577 /nfs/dbraw/zinc/47/35/77/655473577.db2.gz UOOXVPOGVFUCAB-UHFFFAOYSA-N 1 0 398.472 2.691 20 0 GFADRO CC(C)S(=O)(=O)CCC[NH2+][C@H](CCO)c1ccccc1Br ZINC000578229080 655474570 /nfs/dbraw/zinc/47/45/70/655474570.db2.gz DAOZLCKVSNMXAY-OAHLLOKOSA-N 1 0 378.332 2.676 20 0 GFADRO Cc1cc(Br)c(O)c(NC(=O)[C@]2([NH3+])[C@H]3CCCO[C@@H]3C2(C)C)c1 ZINC000578235158 655474668 /nfs/dbraw/zinc/47/46/68/655474668.db2.gz MEKIHFHGJNWTCI-RMLVOYDJSA-N 1 0 383.286 2.934 20 0 GFADRO C[NH+](C)CCn1ccc(C(=O)NC2(c3cccc(Br)c3)CC2)n1 ZINC000578336984 655477058 /nfs/dbraw/zinc/47/70/58/655477058.db2.gz VPAYAFCTAFJKTO-UHFFFAOYSA-N 1 0 377.286 2.626 20 0 GFADRO COC(=O)c1cc(S(=O)(=O)N(CC[NH+]2CCCCCC2)C(C)C)cs1 ZINC000578492843 655480252 /nfs/dbraw/zinc/48/02/52/655480252.db2.gz GWCOQUJAFNSPPC-UHFFFAOYSA-N 1 0 388.555 2.810 20 0 GFADRO CC(=O)Nc1ccc(OC[C@@H](O)C[NH2+]Cc2cc(Br)cs2)cc1 ZINC000578500709 655480572 /nfs/dbraw/zinc/48/05/72/655480572.db2.gz BICARDFWZKISJN-AWEZNQCLSA-N 1 0 399.310 2.999 20 0 GFADRO [NH3+][C@@H]1CCCC[C@H]1CC(=O)NC[C@@H](O)COc1cccc(Cl)c1Cl ZINC000578502067 655480611 /nfs/dbraw/zinc/48/06/11/655480611.db2.gz GCQAEBMMCWQYLH-OUCADQQQSA-N 1 0 375.296 2.757 20 0 GFADRO CO[C@@H](C)[C@@H](C)[NH2+][C@H](C)C(=O)Nc1cccc(I)c1 ZINC000578542990 655481365 /nfs/dbraw/zinc/48/13/65/655481365.db2.gz LTGXAIYHUWLAEO-MXWKQRLJSA-N 1 0 376.238 2.631 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cccc(C2SCCS2)c1 ZINC000265398144 655482823 /nfs/dbraw/zinc/48/28/23/655482823.db2.gz OHOUZBLUAMTBLB-HNNXBMFYSA-N 1 0 379.551 2.704 20 0 GFADRO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N[C@H](c1ccsc1)c1ccc(Cl)cc1 ZINC000578627539 655483343 /nfs/dbraw/zinc/48/33/43/655483343.db2.gz YMXKFYGTPMSQBM-OZVIIMIRSA-N 1 0 379.913 2.849 20 0 GFADRO O=C(Cc1ccc(Br)cc1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000265443111 655483422 /nfs/dbraw/zinc/48/34/22/655483422.db2.gz LCEAZNYJHLYVLA-UHFFFAOYSA-N 1 0 381.314 2.562 20 0 GFADRO CC(=O)N[C@H](CC(=O)N1CCCC[C@H]1CC[NH3+])c1ccc(Br)cc1 ZINC000578628771 655483423 /nfs/dbraw/zinc/48/34/23/655483423.db2.gz SDMBPNMFMKWJJI-DLBZAZTESA-N 1 0 396.329 2.746 20 0 GFADRO CCOC(=O)CCCCC[NH+]1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000265443798 655483562 /nfs/dbraw/zinc/48/35/62/655483562.db2.gz IYLGEDOWMAFOOE-UHFFFAOYSA-N 1 0 388.555 2.614 20 0 GFADRO C[NH2+]C[C@@H]1CCN(C(=O)Nc2ccc(I)cc2F)C1 ZINC000578669111 655484251 /nfs/dbraw/zinc/48/42/51/655484251.db2.gz AZFCEXZXJHECOD-VIFPVBQESA-N 1 0 377.201 2.504 20 0 GFADRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N(C)Cc1cc(Cl)cc(Cl)c1 ZINC000578678016 655484603 /nfs/dbraw/zinc/48/46/03/655484603.db2.gz YKGGYVQZRCCVDM-BZNIZROVSA-N 1 0 384.307 2.551 20 0 GFADRO C[NH+](C)C1(CNC(=O)C(=O)Nc2cc(Br)ccc2F)CCCC1 ZINC000265519421 655484926 /nfs/dbraw/zinc/48/49/26/655484926.db2.gz KPIHAJHGJZXHML-UHFFFAOYSA-N 1 0 386.265 2.517 20 0 GFADRO Cc1ccc(NC(=O)Cn2cc(Br)cn2)c(OCC[NH+](C)C)c1 ZINC000265597047 655486832 /nfs/dbraw/zinc/48/68/32/655486832.db2.gz CQQNAMOEWGJJNZ-UHFFFAOYSA-N 1 0 381.274 2.533 20 0 GFADRO C[NH+](C)CCCCC(=O)NCc1noc(-c2cccc(Br)c2)n1 ZINC000579060652 655492669 /nfs/dbraw/zinc/49/26/69/655492669.db2.gz WGWWVKIWABEMAD-UHFFFAOYSA-N 1 0 381.274 2.847 20 0 GFADRO C[C@@H]1CN(CCNC(=O)COc2c(Cl)cc(Cl)cc2Cl)CCO1 ZINC000579074154 655493062 /nfs/dbraw/zinc/49/30/62/655493062.db2.gz FUVIRAHLUVJLCI-SNVBAGLBSA-N 1 0 381.687 2.863 20 0 GFADRO CC[NH+]1CCN(CCC(=O)NCC2(c3ccccc3Br)CC2)CC1 ZINC000266038569 655495474 /nfs/dbraw/zinc/49/54/74/655495474.db2.gz WXYOLEXDERFHQU-UHFFFAOYSA-N 1 0 394.357 2.625 20 0 GFADRO NC(=O)C[C@H]([NH2+]Cc1cc2cc(Br)ccc2o1)C1CCOCC1 ZINC000579253553 655496713 /nfs/dbraw/zinc/49/67/13/655496713.db2.gz XLKSRYJETTWWBK-HNNXBMFYSA-N 1 0 381.270 2.956 20 0 GFADRO CC[C@@H](Cc1ccccc1Br)C(=O)NC[C@]1(O)C[NH+]2CCC1CC2 ZINC000579516608 655500770 /nfs/dbraw/zinc/50/07/70/655500770.db2.gz TZTVLMNMAZYDNF-LIRRHRJNSA-N 1 0 395.341 2.591 20 0 GFADRO Cc1ccc(I)c(C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000579700741 655502685 /nfs/dbraw/zinc/50/26/85/655502685.db2.gz CFHOMULMISMOLO-CORIIIEPSA-N 1 0 384.261 2.799 20 0 GFADRO [NH3+]CCCOC1CCN(C(=O)[C@H]2CCc3cc(Br)ccc32)CC1 ZINC000579711458 655502798 /nfs/dbraw/zinc/50/27/98/655502798.db2.gz ADODNUDEVCRYPG-KRWDZBQOSA-N 1 0 381.314 2.835 20 0 GFADRO O=C(NCC1=CC[NH2+]CC1)[C@H](c1ccc(Br)cc1)N1CCCC1 ZINC000579831940 655504396 /nfs/dbraw/zinc/50/43/96/655504396.db2.gz SSTHOEVQKDAMDD-KRWDZBQOSA-N 1 0 378.314 2.622 20 0 GFADRO O=C(NC[C@H](CO)Cc1ccc(Br)cc1)C1CC[NH+](C2CC2)CC1 ZINC000579863451 655505124 /nfs/dbraw/zinc/50/51/24/655505124.db2.gz QUSWAKBSCNXWMK-OAHLLOKOSA-N 1 0 395.341 2.591 20 0 GFADRO C[C@H](NC(=O)N[C@H]1CCOc2c(Br)cccc21)[C@@H]1CCC[NH2+]C1 ZINC000580053107 655507495 /nfs/dbraw/zinc/50/74/95/655507495.db2.gz XFAPHLZJCMNFJY-ZOWXZIJZSA-N 1 0 382.302 2.960 20 0 GFADRO Cc1cc(Br)cn2cc(CC[NH2+]C[C@@H](O)CC(F)(F)F)nc12 ZINC000580065524 655507712 /nfs/dbraw/zinc/50/77/12/655507712.db2.gz ANKOAPMKQDVQKI-LBPRGKRZSA-N 1 0 380.208 2.851 20 0 GFADRO CCCN(Cc1ccccc1Br)C(=O)C(=O)N[C@H](C)CC[NH+](C)C ZINC000580205599 655510194 /nfs/dbraw/zinc/51/01/94/655510194.db2.gz SPTMJLRAZLLPAC-CQSZACIVSA-N 1 0 398.345 2.644 20 0 GFADRO CCCN(Cc1ccccc1Br)C(=O)C(=O)N[C@@H](C)CC[NH+](C)C ZINC000580205598 655510214 /nfs/dbraw/zinc/51/02/14/655510214.db2.gz SPTMJLRAZLLPAC-AWEZNQCLSA-N 1 0 398.345 2.644 20 0 GFADRO C[C@H]1CC[N@H+](CC(=O)Nc2nccn2Cc2ccc(Br)cc2)C1 ZINC000580209572 655510328 /nfs/dbraw/zinc/51/03/28/655510328.db2.gz BYJDONCOAHJTBT-ZDUSSCGKSA-N 1 0 377.286 2.974 20 0 GFADRO COC(=O)c1ccc(CN(CC[NH+](C)C)C[C@H]2CCCO2)c(Br)c1 ZINC000580259337 655510570 /nfs/dbraw/zinc/51/05/70/655510570.db2.gz DMSTYVYZEHUIII-MRXNPFEDSA-N 1 0 399.329 2.778 20 0 GFADRO COCCO[C@H]1CCCN(Cc2cccc(I)c2)C1 ZINC000580339828 655511323 /nfs/dbraw/zinc/51/13/23/655511323.db2.gz GVSOAOKSFIHEIJ-HNNXBMFYSA-N 1 0 375.250 2.919 20 0 GFADRO Cn1cc(C[NH2+][C@H]2C[C@H](NC(=O)OC(C)(C)C)C2(C)C)c(Br)n1 ZINC000712427110 655522658 /nfs/dbraw/zinc/52/26/58/655522658.db2.gz UZNJEROSRTUJOK-RYUDHWBXSA-N 1 0 387.322 2.964 20 0 GFADRO Cc1cc(N2CCC(C(=O)Nc3cccc(Br)c3)CC2)nc(N)[nH+]1 ZINC000725789642 655526370 /nfs/dbraw/zinc/52/63/70/655526370.db2.gz RYJFEFDFBCSFES-UHFFFAOYSA-N 1 0 390.285 2.985 20 0 GFADRO C[NH+]1CCN(c2ccccc2NC(=O)c2ccc(Br)cn2)CC1 ZINC000727297394 655544265 /nfs/dbraw/zinc/54/42/65/655544265.db2.gz KBSNDWNOBVJJRC-UHFFFAOYSA-N 1 0 375.270 2.848 20 0 GFADRO O=S(=O)(/C=C/c1ccccc1Br)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000727452035 655545659 /nfs/dbraw/zinc/54/56/59/655545659.db2.gz MCFVBNHMTAZIAL-IEWAYXNBSA-N 1 0 385.327 2.966 20 0 GFADRO O=C(CCCC[NH+]1CCCC1)NCCNC(=O)c1ccc(Br)cc1 ZINC000729329864 655564019 /nfs/dbraw/zinc/56/40/19/655564019.db2.gz CTAICTZQFJTIIL-UHFFFAOYSA-N 1 0 396.329 2.561 20 0 GFADRO C[C@@H](CC[NH+](C)C)NC(=O)NC[C@@](O)(c1ccc(Cl)cc1)C(F)(F)F ZINC000729606006 655566185 /nfs/dbraw/zinc/56/61/85/655566185.db2.gz FNXZCEPBGXLPPS-XHDPSFHLSA-N 1 0 381.826 2.729 20 0 GFADRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)CN1C(=S)N=NC1c1cccs1 ZINC000730785081 655577872 /nfs/dbraw/zinc/57/78/72/655577872.db2.gz DEAKWZSDTDWMLX-CHWSQXEVSA-N 1 0 379.555 2.674 20 0 GFADRO COC1CC[NH+](C2(CNC(=O)NC[C@H]3CC3(Cl)Cl)CCCC2)CC1 ZINC000730905860 655579403 /nfs/dbraw/zinc/57/94/03/655579403.db2.gz WJUSDECWQJCFOZ-CYBMUJFWSA-N 1 0 378.344 2.903 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CNC(=S)NC[C@@H](O)c1ccc(Cl)cc1Cl ZINC000731946738 655589904 /nfs/dbraw/zinc/58/99/04/655589904.db2.gz VPBOFUMKKQTBIN-SWLSCSKDSA-N 1 0 376.353 2.975 20 0 GFADRO COc1ccc(Cl)cc1C[NH2+]CC1CCN(S(=O)(=O)C(F)F)CC1 ZINC000732986919 655605732 /nfs/dbraw/zinc/60/57/32/655605732.db2.gz NRICKKVEJUFBTN-UHFFFAOYSA-N 1 0 382.860 2.703 20 0 GFADRO O=C(N[C@H]1CC[N@@H+](C2CC2)C1)N1CCO[C@@H](c2ccccc2Br)C1 ZINC000734286135 655628626 /nfs/dbraw/zinc/62/86/26/655628626.db2.gz ZWNDNAQDSDWALW-SUMWQHHRSA-N 1 0 394.313 2.769 20 0 GFADRO CC[C@H](Cc1cccc(Br)c1)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000735272051 655643625 /nfs/dbraw/zinc/64/36/25/655643625.db2.gz OWYBAEMATNHONU-NJAFHUGGSA-N 1 0 395.341 2.997 20 0 GFADRO C[C@@H]1CCCCC[N@@H+]1CN1C(=O)C(=O)N(c2ccc(Br)cc2)C1=O ZINC000738226667 655687631 /nfs/dbraw/zinc/68/76/31/655687631.db2.gz NAXHVEDMGZISBM-GFCCVEGCSA-N 1 0 394.269 2.966 20 0 GFADRO O=C(NCC[NH2+]Cc1cnc2ccc(Br)cn12)c1ccc(F)cc1 ZINC000742367715 655717342 /nfs/dbraw/zinc/71/73/42/655717342.db2.gz GMLHROZTGHCTKP-UHFFFAOYSA-N 1 0 391.244 2.756 20 0 GFADRO C[NH+](C)CCn1ccc(NC(=O)NCCc2ccc(Br)cc2F)n1 ZINC000743203461 655726848 /nfs/dbraw/zinc/72/68/48/655726848.db2.gz FOKUFDJCRYLBFX-UHFFFAOYSA-N 1 0 398.280 2.711 20 0 GFADRO CCC[N@H+](C)C[C@H]1CCN(CN2c3cc(Br)ccc3C(=O)C2=O)C1 ZINC000743391079 655728589 /nfs/dbraw/zinc/72/85/89/655728589.db2.gz WINCKYNZLVLRBD-CYBMUJFWSA-N 1 0 394.313 2.600 20 0 GFADRO COC(=O)CC[N@H+](C[C@H](O)c1ccc(Br)cc1)C1CCOCC1 ZINC000743872177 655732420 /nfs/dbraw/zinc/73/24/20/655732420.db2.gz LOLVSOMBWFREJZ-INIZCTEOSA-N 1 0 386.286 2.527 20 0 GFADRO CCc1ccc([C@@H](O)C[NH2+][C@@H](C)Cn2cc(Br)ccc2=O)cc1 ZINC000840748652 661183035 /nfs/dbraw/zinc/18/30/35/661183035.db2.gz HPGSOMSYJIFAHQ-GUYCJALGSA-N 1 0 379.298 2.885 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2Cn1ncc(Br)c1C1CC1 ZINC000746648911 655765340 /nfs/dbraw/zinc/76/53/40/655765340.db2.gz LSVJYOVKOFLOQQ-FVQBIDKESA-N 1 0 383.334 2.664 20 0 GFADRO CCO[C@H](CC[NH+](C)C)CNS(=O)(=O)c1ccc2nc(Cl)sc2c1 ZINC000746671026 655766070 /nfs/dbraw/zinc/76/60/70/655766070.db2.gz LCPLYFHZTHXQSM-LLVKDONJSA-N 1 0 391.946 2.585 20 0 GFADRO O=C(CCc1ccc(Br)cc1F)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000747228228 655774375 /nfs/dbraw/zinc/77/43/75/655774375.db2.gz CFUXNDQBUJXBIS-CABCVRRESA-N 1 0 385.277 2.500 20 0 GFADRO Cc1ccc(O[C@H](C)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c(Br)c1 ZINC000747230625 655774619 /nfs/dbraw/zinc/77/46/19/655774619.db2.gz WOJOHJOUWDBULO-RBSFLKMASA-N 1 0 397.313 2.504 20 0 GFADRO CN1CCC([NH+]2CCC(NC(=O)/C=C\c3ccc(Br)o3)CC2)CC1 ZINC000747773877 655783468 /nfs/dbraw/zinc/78/34/68/655783468.db2.gz KGQSSBHYJQHKOQ-HYXAFXHYSA-N 1 0 396.329 2.730 20 0 GFADRO COc1c(F)cc(Br)cc1S(=O)(=O)N(CC[NH+](C)C)C(C)C ZINC000747888111 655785087 /nfs/dbraw/zinc/78/50/87/655785087.db2.gz MKDIQKGZPQQBAV-UHFFFAOYSA-N 1 0 397.310 2.558 20 0 GFADRO OCCC[N@@H+]1CCC[C@@H]1CNC(=S)Nc1ccc(OC(F)(F)F)cc1 ZINC000840776413 661186499 /nfs/dbraw/zinc/18/64/99/661186499.db2.gz MQWRTOYUGUCDFV-CYBMUJFWSA-N 1 0 377.432 2.718 20 0 GFADRO CN(CC[NH+](C)C)C(=O)c1cnn(-c2ncccc2Cl)c1C(F)(F)Cl ZINC000748408462 655790734 /nfs/dbraw/zinc/79/07/34/655790734.db2.gz VTSHKDQXHIUVAF-UHFFFAOYSA-N 1 0 392.237 2.842 20 0 GFADRO COc1ccc([C@H](C)[NH2+]C2CCN(S(=O)(=O)C(F)(F)F)CC2)c(C)c1 ZINC000840723735 661178645 /nfs/dbraw/zinc/17/86/45/661178645.db2.gz FOQLDGSTYRPGAM-LBPRGKRZSA-N 1 0 380.432 2.968 20 0 GFADRO CN(CC(F)F)C1CC[NH+](C[C@H](O)COCc2ccccc2Cl)CC1 ZINC000749365581 655803746 /nfs/dbraw/zinc/80/37/46/655803746.db2.gz YFHXJMLWPHKDKM-INIZCTEOSA-N 1 0 376.875 2.879 20 0 GFADRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CC2)C1 ZINC000749445676 655805181 /nfs/dbraw/zinc/80/51/81/655805181.db2.gz IRDZXMLLVDVBRT-CABCVRRESA-N 1 0 384.929 2.635 20 0 GFADRO C[NH+]1CCC(NC(=S)NCc2cccc(COCC(F)(F)F)c2)CC1 ZINC000749737951 655806957 /nfs/dbraw/zinc/80/69/57/655806957.db2.gz ORNZJCMOXUWMEK-UHFFFAOYSA-N 1 0 375.460 2.824 20 0 GFADRO C[C@H](NC(=O)CN1CC[NH+](CCCCO)CC1)c1ccc(Cl)c(Cl)c1 ZINC000750053697 655810796 /nfs/dbraw/zinc/81/07/96/655810796.db2.gz JMVWAEIYTRVPHT-AWEZNQCLSA-N 1 0 388.339 2.561 20 0 GFADRO Brc1cc(C[NH2+]CCCNc2ncccn2)cc2c1OCCO2 ZINC000751506280 655830300 /nfs/dbraw/zinc/83/03/00/655830300.db2.gz MQKHGNZEIKHSIB-UHFFFAOYSA-N 1 0 379.258 2.602 20 0 GFADRO COCCNC(=S)N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000754089346 655863601 /nfs/dbraw/zinc/86/36/01/655863601.db2.gz JPWOMWSCISNTBK-UHFFFAOYSA-N 1 0 375.460 2.734 20 0 GFADRO Cc1cc(Br)ncc1NC(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000754458939 655868184 /nfs/dbraw/zinc/86/81/84/655868184.db2.gz WVMSITHUVVUAGG-UHFFFAOYSA-N 1 0 397.317 2.919 20 0 GFADRO Cc1ccc([C@H](C)[NH2+]CC(=O)Nc2cc(-n3cnnn3)ccc2Cl)s1 ZINC000754669283 655871081 /nfs/dbraw/zinc/87/10/81/655871081.db2.gz GHPLRFBHPZHATO-NSHDSACASA-N 1 0 376.873 2.975 20 0 GFADRO CCN(C(=O)C[NH2+][C@@H](C)c1csc2ccccc21)[C@H]1CCS(=O)(=O)C1 ZINC000754740847 655872296 /nfs/dbraw/zinc/87/22/96/655872296.db2.gz ULVOCLASYCKWAB-KBPBESRZSA-N 1 0 380.535 2.588 20 0 GFADRO CC[C@H]([NH2+]CCC(C)(C)S(C)(=O)=O)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000840876500 661197999 /nfs/dbraw/zinc/19/79/99/661197999.db2.gz NPCJJNQMOJGDND-GJZGRUSLSA-N 1 0 376.563 2.967 20 0 GFADRO CC(=O)N1CC[C@@H](C[N@@H+](C)Cc2nnc(-c3ccc(Br)s3)o2)C1 ZINC000755045383 655879059 /nfs/dbraw/zinc/87/90/59/655879059.db2.gz MEENMDRQSGYJMM-NSHDSACASA-N 1 0 399.314 2.861 20 0 GFADRO CC[C@@H]1CC[N@H+](CN2C(=O)N[C@@](C)(c3ccccc3Br)C2=O)C1 ZINC000755926482 655891356 /nfs/dbraw/zinc/89/13/56/655891356.db2.gz WYRMSIPNSQQITI-PXAZEXFGSA-N 1 0 380.286 2.906 20 0 GFADRO CCc1c(Cl)nc(CS(C)(=O)=O)nc1NC[C@H]1CC[N@H+](CC(C)C)C1 ZINC000756984995 655908407 /nfs/dbraw/zinc/90/84/07/655908407.db2.gz YEEQVVHPCLGTMP-CYBMUJFWSA-N 1 0 388.965 2.627 20 0 GFADRO COC(=O)c1cc(S(=O)(=O)NCCC[NH+](C(C)C)C(C)C)ccc1Cl ZINC000757496769 655912722 /nfs/dbraw/zinc/91/27/22/655912722.db2.gz QHIOFTGDEHDLNV-UHFFFAOYSA-N 1 0 390.933 2.914 20 0 GFADRO C[NH+]1CCN(Cc2ccc(NC(=O)c3cccnc3Br)cc2)CC1 ZINC000758175711 655925351 /nfs/dbraw/zinc/92/53/51/655925351.db2.gz KGSNEFLAECRLGX-UHFFFAOYSA-N 1 0 389.297 2.844 20 0 GFADRO O=C(NC[C@@H]1CC1(Cl)Cl)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000758262590 655927735 /nfs/dbraw/zinc/92/77/35/655927735.db2.gz CANSGKHVUUWMBX-HOTGVXAUSA-N 1 0 386.323 2.771 20 0 GFADRO CS[C@@H]1CN(C(=O)Nc2ccc([S@@](=O)C(F)(F)F)cc2)C[C@@H]1[NH+](C)C ZINC000759987810 655967156 /nfs/dbraw/zinc/96/71/56/655967156.db2.gz QENDMXZRSLJQGP-SMLFXBKZSA-N 1 0 395.472 2.823 20 0 GFADRO C[NH+]1CCC(CNC(=S)NCc2ccc(OCC(F)(F)F)cc2)CC1 ZINC000760465974 655981745 /nfs/dbraw/zinc/98/17/45/655981745.db2.gz AQXUQPLNXAWXHS-UHFFFAOYSA-N 1 0 375.460 2.934 20 0 GFADRO Cn1cnnc1Sc1ccc(NC(=S)NCC2CC[NH+](C)CC2)cc1 ZINC000760467119 655981748 /nfs/dbraw/zinc/98/17/48/655981748.db2.gz PYQKMRCEKIHSBZ-UHFFFAOYSA-N 1 0 376.555 2.595 20 0 GFADRO COCCC1(C[NH2+]Cc2c(C)nn([C@@H]3CCS(=O)(=O)C3)c2Cl)CCC1 ZINC000760700369 655989799 /nfs/dbraw/zinc/98/97/99/655989799.db2.gz HNUBOZYWSCFIEZ-CQSZACIVSA-N 1 0 389.949 2.501 20 0 GFADRO CC[C@H](C)[N@H+](C)CCN1C(=O)N[C@@](C)(c2cccc(Br)c2)C1=O ZINC000761208088 656003278 /nfs/dbraw/zinc/00/32/78/656003278.db2.gz WCOJHTPVUFEBGA-SJCJKPOMSA-N 1 0 382.302 2.946 20 0 GFADRO C[C@H](CN1C(=O)N[C@@](C)(c2cccc(Br)c2)C1=O)[N@H+](C)C1CC1 ZINC000761228851 656003897 /nfs/dbraw/zinc/00/38/97/656003897.db2.gz OHCGIKCEZKEWPF-DIFFPNOSSA-N 1 0 380.286 2.699 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CNC(=S)NCCOc1ncc(Cl)cc1Cl ZINC000761825039 656021958 /nfs/dbraw/zinc/02/19/58/656021958.db2.gz QJXUHZWMYYHIGE-GFCCVEGCSA-N 1 0 377.341 2.716 20 0 GFADRO CCCN(C(=O)[C@H](C)SCC[NH+](C(C)C)C(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000762199005 656035906 /nfs/dbraw/zinc/03/59/06/656035906.db2.gz KLDYIVPZWUGSNO-IRXDYDNUSA-N 1 0 392.631 2.653 20 0 GFADRO CC(C)OCC[NH+]1CCC(NC(=O)N[C@@H]2CC[C@H]3SCCS[C@@H]23)CC1 ZINC000762635306 656053804 /nfs/dbraw/zinc/05/38/04/656053804.db2.gz VOWZAQIYPVSRPH-ZACQAIPSSA-N 1 0 387.615 2.555 20 0 GFADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)Nc1ccc(Cl)cc1OC(F)F ZINC000762956029 656066481 /nfs/dbraw/zinc/06/64/81/656066481.db2.gz RVGFTVLCTCBGLG-NEPJUHHUSA-N 1 0 375.803 2.926 20 0 GFADRO CCSc1nn(CN2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)c(=S)s1 ZINC000763336778 656079710 /nfs/dbraw/zinc/07/97/10/656079710.db2.gz NKPKRYFWABLVNV-UONOGXRCSA-N 1 0 387.644 2.701 20 0 GFADRO [NH3+]C[C@H](NC(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1)C1CCCCC1 ZINC000841013628 661226505 /nfs/dbraw/zinc/22/65/05/661226505.db2.gz RUGDCFIZWDBPGZ-AWEZNQCLSA-N 1 0 375.441 2.712 20 0 GFADRO CC(C)(C[NH2+]C1CCN(S(C)(=O)=O)CC1)c1ccc(Br)cc1 ZINC000764965408 656124578 /nfs/dbraw/zinc/12/45/78/656124578.db2.gz WDHRYYCRQCNRKX-UHFFFAOYSA-N 1 0 389.359 2.740 20 0 GFADRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000764996667 656125420 /nfs/dbraw/zinc/12/54/20/656125420.db2.gz MTJUPUXPFLFSBY-JKSUJKDBSA-N 1 0 375.296 2.596 20 0 GFADRO C[N@@H+]1CCC[C@@H]2CN(Cn3c4cc(Br)ccc4oc3=O)CC[C@H]21 ZINC000765103900 656132080 /nfs/dbraw/zinc/13/20/80/656132080.db2.gz CZPJXSITNJBDFY-TZMCWYRMSA-N 1 0 380.286 2.731 20 0 GFADRO COCCNS(=O)(=O)c1ccc(C[NH2+][C@@H](C)c2ccnc(Cl)c2)cc1 ZINC000765406423 656142009 /nfs/dbraw/zinc/14/20/09/656142009.db2.gz OXCXJFKMFNROHA-ZDUSSCGKSA-N 1 0 383.901 2.511 20 0 GFADRO O=S1(=O)CCCN1c1cccc(C[NH2+][C@@H]2CC[C@H]3SCCS[C@H]23)c1 ZINC000765806981 656152637 /nfs/dbraw/zinc/15/26/37/656152637.db2.gz DNPOHZZZHSHRFY-BRWVUGGUSA-N 1 0 384.592 2.696 20 0 GFADRO O=C1c2ccc(Br)cc2C(=O)N1CN1CCC[C@H]1C[NH+]1CCCC1 ZINC000766096499 656161545 /nfs/dbraw/zinc/16/15/45/656161545.db2.gz WPIXYQBXCKSJHU-AWEZNQCLSA-N 1 0 392.297 2.563 20 0 GFADRO C[C@H](C[C@@H]1CCOC1)[NH2+]CCc1ccc(S(=O)(=O)N2CCCCC2)s1 ZINC000766211987 656165460 /nfs/dbraw/zinc/16/54/60/656165460.db2.gz DXCJKCHDRWGKFC-CVEARBPZSA-N 1 0 386.583 2.870 20 0 GFADRO CC[N@@H+]1C[C@@H](C)N(C(=O)CCN2C(=S)N=NC2c2cccs2)C[C@@H]1C ZINC000766249749 656166524 /nfs/dbraw/zinc/16/65/24/656166524.db2.gz PJRHHOUSXWNXNA-QWHCGFSZSA-N 1 0 379.555 2.627 20 0 GFADRO Cc1ncsc1C[NH2+]CCOc1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000766490789 656173260 /nfs/dbraw/zinc/17/32/60/656173260.db2.gz WKECDUOAHVIJTD-UHFFFAOYSA-N 1 0 380.413 2.914 20 0 GFADRO Cc1nc(Br)ccc1NC(=O)NCCC[NH2+]Cc1cccnc1 ZINC000841172092 661241260 /nfs/dbraw/zinc/24/12/60/661241260.db2.gz CWMKJWGDUGRVKU-UHFFFAOYSA-N 1 0 378.274 2.849 20 0 GFADRO C[C@@](C[NH3+])(NC(=O)Nc1cnc(Br)c(Br)c1)C1CC1 ZINC000841141193 661236376 /nfs/dbraw/zinc/23/63/76/661236376.db2.gz GEVLNVGOIHWMJY-LBPRGKRZSA-N 1 0 392.095 2.856 20 0 GFADRO [NH3+]C1CCN(C(=O)Nc2cnc(Br)c(Br)c2)CC1 ZINC000841142031 661237346 /nfs/dbraw/zinc/23/73/46/661237346.db2.gz LVJVLKVAXVKJLM-UHFFFAOYSA-N 1 0 378.068 2.562 20 0 GFADRO CN1CCN(C(=O)Nc2ccc3cc(Br)ccc3c2)[C@H](C[NH3+])C1 ZINC000841148098 661238444 /nfs/dbraw/zinc/23/84/44/661238444.db2.gz SXGIHJYPELEBCT-MRXNPFEDSA-N 1 0 377.286 2.709 20 0 GFADRO C[C@H](CNC(=O)N[C@H](CO)c1ccc(Br)cc1)[NH+]1CCCCC1 ZINC000768044956 656231111 /nfs/dbraw/zinc/23/11/11/656231111.db2.gz GUCNJPFOHJNMCD-CZUORRHYSA-N 1 0 384.318 2.656 20 0 GFADRO Cc1cnc(Br)cc1NC(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000841195459 661243473 /nfs/dbraw/zinc/24/34/73/661243473.db2.gz DSJQERNYTRFNDT-DOMZBBRYSA-N 1 0 383.290 2.513 20 0 GFADRO C[C@H](C[NH3+])CNC(=O)C(=O)Nc1ccccc1SC[C@H]1CC1(Cl)Cl ZINC000841196431 661243545 /nfs/dbraw/zinc/24/35/45/661243545.db2.gz JJNVUEAOHRFNED-GHMZBOCLSA-N 1 0 390.336 2.622 20 0 GFADRO CSc1nc2ccc(NC(=O)C(=O)N[C@@H](C[NH3+])C3CCCC3)cc2s1 ZINC000841270000 661250486 /nfs/dbraw/zinc/25/04/86/661250486.db2.gz RZNIPIALVWBXJK-ZDUSSCGKSA-N 1 0 378.523 2.590 20 0 GFADRO C[N@H+](CCCO)C1CCN(Cc2ccccc2I)CC1 ZINC000769424516 656275915 /nfs/dbraw/zinc/27/59/15/656275915.db2.gz GMVIHOVHQVDQRF-UHFFFAOYSA-N 1 0 388.293 2.570 20 0 GFADRO C[NH+]1CCN(c2ccccc2NC(=O)NCCSCC(F)(F)F)CC1 ZINC000769663081 656284994 /nfs/dbraw/zinc/28/49/94/656284994.db2.gz FYYJGVFGQQJGOI-UHFFFAOYSA-N 1 0 376.448 2.855 20 0 GFADRO C[C@H]([NH3+])[C@H]1CN(C(=O)Nc2ccc(OCC(F)(F)F)c(Cl)c2)CCO1 ZINC000841231610 661246657 /nfs/dbraw/zinc/24/66/57/661246657.db2.gz PXIOIFAKUIOKJD-TVQRCGJNSA-N 1 0 381.782 2.861 20 0 GFADRO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)C(=O)Nc1cccc(Cl)c1SC(F)F ZINC000841237609 661247505 /nfs/dbraw/zinc/24/75/05/661247505.db2.gz ISFDAFNPRORRPP-IUCAKERBSA-N 1 0 395.834 2.752 20 0 GFADRO [NH3+]CCOc1cccc(NC(=O)NCCCCn2cc(Br)cn2)c1 ZINC000841279382 661251010 /nfs/dbraw/zinc/25/10/10/661251010.db2.gz RXXOREJVHDCIRF-UHFFFAOYSA-N 1 0 396.289 2.585 20 0 GFADRO Cc1cc(NC(=O)c2cccc(Br)n2)n(C2CC[NH+](C)CC2)n1 ZINC000770302750 656315917 /nfs/dbraw/zinc/31/59/17/656315917.db2.gz BWQQRZZMOWNONT-UHFFFAOYSA-N 1 0 378.274 2.868 20 0 GFADRO C[C@@H](CNC(=O)c1cccnc1I)[N@@H+]1CCC[C@@H](C)C1 ZINC000770553766 656323061 /nfs/dbraw/zinc/32/30/61/656323061.db2.gz ZFAUWTXGAHVXJA-NEPJUHHUSA-N 1 0 387.265 2.536 20 0 GFADRO C[C@H](NC(=O)N[C@H](CC[NH3+])C(F)(F)F)[C@H](O)c1c(Cl)cccc1Cl ZINC000841334027 661252311 /nfs/dbraw/zinc/25/23/11/661252311.db2.gz AUUTWKXUPAYRJR-KOLSJAJHSA-N 1 0 388.217 2.994 20 0 GFADRO Cc1ccc([C@@H](C)[NH2+]CC2CCN(S(=O)(=O)C(F)(F)F)CC2)c(C)n1 ZINC000771393348 656348328 /nfs/dbraw/zinc/34/83/28/656348328.db2.gz ZMNJFKAUEYJPOW-GFCCVEGCSA-N 1 0 379.448 2.911 20 0 GFADRO C[N@@H+]1CCN(CCCNC(=O)c2csc(Cl)n2)[C@@H](c2ccccc2)C1 ZINC000771620790 656357434 /nfs/dbraw/zinc/35/74/34/656357434.db2.gz NHHDYHCPMSXSIJ-MRXNPFEDSA-N 1 0 378.929 2.905 20 0 GFADRO O=S(=O)(CC[NH2+][C@@H]1CCCSc2ccc(Cl)cc21)N1CCOCC1 ZINC000772959557 656395507 /nfs/dbraw/zinc/39/55/07/656395507.db2.gz AFKSNTHEYLZMLI-OAHLLOKOSA-N 1 0 390.958 2.519 20 0 GFADRO C[N@@H+]1CCC[C@@H]2CN(Cn3c(=O)oc4cc(Br)c(F)cc43)CC[C@H]21 ZINC000773315086 656411240 /nfs/dbraw/zinc/41/12/40/656411240.db2.gz XTCGJSQHBIKNPN-BXUZGUMPSA-N 1 0 398.276 2.870 20 0 GFADRO CC(C)NS(=O)(=O)c1cccc(C[NH2+][C@@H]2CC[C@@H]3SCCS[C@@H]23)c1 ZINC000775376168 656633610 /nfs/dbraw/zinc/63/36/10/656633610.db2.gz PGQPNASIDNKQKZ-IKGGRYGDSA-N 1 0 386.608 2.843 20 0 GFADRO CCc1cc[n+](C(C(=O)c2nccs2)C(=S)NC[C@H]2CCCO2)cc1 ZINC000775743036 656677695 /nfs/dbraw/zinc/67/76/95/656677695.db2.gz SQBORDFLSZOXIG-CQSZACIVSA-O 1 0 376.527 2.973 20 0 GFADRO Cc1cnc(Br)cc1NC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000776044110 656705726 /nfs/dbraw/zinc/70/57/26/656705726.db2.gz VLTHLNUHZHXPBO-CYBMUJFWSA-N 1 0 397.317 2.775 20 0 GFADRO CS[C@H]1CN(C(=O)c2scnc2Br)C[C@@H]1[NH+]1CCCC1 ZINC000776211867 656720526 /nfs/dbraw/zinc/72/05/26/656720526.db2.gz PNTDQODURGRJLE-UWVGGRQHSA-N 1 0 376.345 2.557 20 0 GFADRO NC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(N[C@@H]2CC[C@@H]3SCCS[C@@H]23)c1 ZINC000777239335 656815525 /nfs/dbraw/zinc/81/55/25/656815525.db2.gz STTHMFZDPHTVLI-OWSLCNJRSA-N 1 0 377.579 2.928 20 0 GFADRO O=C(NCC1([NH+]2CCSCC2)CCCC1)c1scnc1Br ZINC000777796014 656835093 /nfs/dbraw/zinc/83/50/93/656835093.db2.gz UDBKSCUONKQIHO-UHFFFAOYSA-N 1 0 390.372 2.997 20 0 GFADRO C[C@@H]([NH2+]CCc1ccc(Br)cc1F)C1CCS(=O)(=O)CC1 ZINC000779025027 656897757 /nfs/dbraw/zinc/89/77/57/656897757.db2.gz UMGYGTWJKHVMPI-LLVKDONJSA-N 1 0 378.307 2.934 20 0 GFADRO CC[S@@](=O)CC[NH2+][C@@H](c1ccc(C)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000779061392 656898286 /nfs/dbraw/zinc/89/82/86/656898286.db2.gz OBOATRGUNHWRSU-YADARESESA-N 1 0 379.547 2.846 20 0 GFADRO CS[C@@H]1CN(C(=O)Nc2ccc(N3CCSCC3)cc2)C[C@@H]1[NH+](C)C ZINC000779354624 656921391 /nfs/dbraw/zinc/92/13/91/656921391.db2.gz JRKAPYRZMASMQU-DLBZAZTESA-N 1 0 380.583 2.749 20 0 GFADRO CCC(CC)(C[NH2+]C1CCN(S(=O)(=O)c2c(C)n[nH]c2C)CC1)SC ZINC000779401463 656924051 /nfs/dbraw/zinc/92/40/51/656924051.db2.gz ZVKRPMUBBGSPDS-UHFFFAOYSA-N 1 0 388.603 2.691 20 0 GFADRO C[NH+](C)CCn1cc(NC(=O)NCCSCc2ccnc(Cl)c2)cn1 ZINC000779616944 656933767 /nfs/dbraw/zinc/93/37/67/656933767.db2.gz VQTOSBHARDNHJU-UHFFFAOYSA-N 1 0 382.921 2.548 20 0 GFADRO C[C@@H](CNS(=O)(=O)Cc1ccc(Br)cc1)[NH+]1CCCCC1 ZINC000780715647 657025500 /nfs/dbraw/zinc/02/55/00/657025500.db2.gz LZULWALVUOAELY-ZDUSSCGKSA-N 1 0 375.332 2.743 20 0 GFADRO Cc1ccc(Br)c(S(=O)(=O)NC[C@H](C)[NH+]2CCCCC2)c1 ZINC000780720472 657025932 /nfs/dbraw/zinc/02/59/32/657025932.db2.gz RSFSOVHBRSJQLX-ZDUSSCGKSA-N 1 0 375.332 2.910 20 0 GFADRO CCOc1ccc(Br)cc1S(=O)(=O)NCC[N@@H+]1CCC[C@H]1C ZINC000780867561 657033698 /nfs/dbraw/zinc/03/36/98/657033698.db2.gz PZHCISZLVDNWTO-GFCCVEGCSA-N 1 0 391.331 2.610 20 0 GFADRO C[C@@H](NC(=O)Nc1cc2c(cc1Br)OCCO2)C1=CC[N@H+](C)CC1 ZINC000781394147 657053970 /nfs/dbraw/zinc/05/39/70/657053970.db2.gz BTSCYPNCBHXIJT-LLVKDONJSA-N 1 0 396.285 2.992 20 0 GFADRO O=C(NC1CC[NH+](C2CC2)CC1)c1cnn(-c2ccccc2)c1Br ZINC000782163559 657108594 /nfs/dbraw/zinc/10/85/94/657108594.db2.gz GTAODYVXGHBOMB-UHFFFAOYSA-N 1 0 389.297 2.991 20 0 GFADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1Cn1ncc(Br)c1C1CC1 ZINC000782914670 657192543 /nfs/dbraw/zinc/19/25/43/657192543.db2.gz VAVDWNRHJQCFGR-CYBMUJFWSA-N 1 0 383.334 2.666 20 0 GFADRO C[C@H](Cc1ccsc1)[NH+]1CCN(c2ccc(NS(C)(=O)=O)cc2)CC1 ZINC000783505655 657235374 /nfs/dbraw/zinc/23/53/74/657235374.db2.gz VMGFLGMNRNVZAX-OAHLLOKOSA-N 1 0 379.551 2.873 20 0 GFADRO C[N@@H+]1CCC[C@@H](N2CCN(C(=S)Nc3ccc(Br)cc3)CC2)C1 ZINC000783738844 657256931 /nfs/dbraw/zinc/25/69/31/657256931.db2.gz OEKDJNTYQUEVOX-MRXNPFEDSA-N 1 0 397.386 2.858 20 0 GFADRO C[C@H]1CCC[N@@H+]1CCNC(=O)[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000783922152 657274316 /nfs/dbraw/zinc/27/43/16/657274316.db2.gz VZSJGEYMXHBWQB-JSGCOSHPSA-N 1 0 384.307 2.947 20 0 GFADRO CC1CC[NH+]([C@H](CNS(=O)(=O)C[C@@H]2CCCOC2)c2cccs2)CC1 ZINC000784730858 657324606 /nfs/dbraw/zinc/32/46/06/657324606.db2.gz QEYXMEFPYLKJLJ-IAGOWNOFSA-N 1 0 386.583 2.867 20 0 GFADRO Cn1nc(Br)cc1C[NH2+]C[C@@H](O)c1ccc(OC(F)(F)F)cc1 ZINC000785440845 657364915 /nfs/dbraw/zinc/36/49/15/657364915.db2.gz FPDAJURBVPRIIG-GFCCVEGCSA-N 1 0 394.191 2.904 20 0 GFADRO Cn1nc(Br)cc1C[NH2+]CCc1ccc(OCC(F)(F)F)nc1 ZINC000785511718 657371107 /nfs/dbraw/zinc/37/11/07/657371107.db2.gz NADGJEBUDIJAKQ-UHFFFAOYSA-N 1 0 393.207 2.851 20 0 GFADRO Cn1nc(Br)cc1C[NH2+]CCN1CCc2c(Cl)cccc2C1 ZINC000785517909 657371382 /nfs/dbraw/zinc/37/13/82/657371382.db2.gz MFXDSBIDKGJMCF-UHFFFAOYSA-N 1 0 383.721 2.984 20 0 GFADRO Cc1ccccc1[C@@H]([C@H](C)NC(=O)c1cnn(C)c1Br)[NH+](C)C ZINC000785855937 657390858 /nfs/dbraw/zinc/39/08/58/657390858.db2.gz KOOSMSIXXGPGIP-SWLSCSKDSA-N 1 0 379.302 2.912 20 0 GFADRO Cc1nn(-c2cc(C)ccc2C)c(Cl)c1C[NH2+]CCC1CS(=O)(=O)C1 ZINC000786824149 657470052 /nfs/dbraw/zinc/47/00/52/657470052.db2.gz KHMHMVOKJXVOPX-UHFFFAOYSA-N 1 0 381.929 2.975 20 0 GFADRO C[C@@H]([NH2+]Cc1ccc(S(C)(=O)=O)s1)c1ccc(N2CCNC2=O)cc1 ZINC000786925886 657490021 /nfs/dbraw/zinc/49/00/21/657490021.db2.gz PCRGLVVDRWAWPV-GFCCVEGCSA-N 1 0 379.507 2.532 20 0 GFADRO Cc1csc(C(=O)N[C@H](C[NH+](C)C)C(C)C)c1I ZINC000786978447 657499918 /nfs/dbraw/zinc/49/99/18/657499918.db2.gz ZEBFICMQESXOOQ-SNVBAGLBSA-N 1 0 380.295 2.977 20 0 GFADRO O=C(c1cnn(-c2ccccc2)c1Br)N1CC[NH+]2CCC1CC2 ZINC000787523001 657561806 /nfs/dbraw/zinc/56/18/06/657561806.db2.gz IEYOXXPQJCAKPG-UHFFFAOYSA-N 1 0 375.270 2.555 20 0 GFADRO COc1cc(C(=O)N2CCC[C@H]2C[NH+]2CCCCC2)cnc1Br ZINC000788200592 657669432 /nfs/dbraw/zinc/66/94/32/657669432.db2.gz HRFKYIVUZVHTPF-AWEZNQCLSA-N 1 0 382.302 2.943 20 0 GFADRO COc1cccc([C@H](CNC(=O)c2cc(Br)n[nH]2)[NH+]2CCCC2)c1 ZINC000788261692 657685381 /nfs/dbraw/zinc/68/53/81/657685381.db2.gz PJZPTXZMYFUECI-HNNXBMFYSA-N 1 0 393.285 2.748 20 0 GFADRO Cc1nc(-c2ccc(Cl)c(Cl)c2)n(C[N@@H+]2CC[C@@]3(CNC(=O)C3)C2)n1 ZINC000788381887 657705048 /nfs/dbraw/zinc/70/50/48/657705048.db2.gz ITXFJJYCRSIYBC-QGZVFWFLSA-N 1 0 380.279 2.730 20 0 GFADRO CCOC(=O)[C@H]1[C@H]([NH2+]CCSC(F)(F)F)CCN1C(=O)OC(C)(C)C ZINC000788558188 657745366 /nfs/dbraw/zinc/74/53/66/657745366.db2.gz TXIYLUFRUBNKGR-GHMZBOCLSA-N 1 0 386.436 2.770 20 0 GFADRO Cn1cc(S(=O)(=O)N[C@@H](C[NH+]2CCCCC2)c2ccccc2)nc1Cl ZINC000788915533 657796989 /nfs/dbraw/zinc/79/69/89/657796989.db2.gz GHSAUKGXUDEFPI-HNNXBMFYSA-N 1 0 382.917 2.579 20 0 GFADRO CCS(=O)(=O)CCCCC[N@@H+]1CC[C@@H](NC(=O)OC(C)(C)C)C[C@@H]1C ZINC000789350635 657840265 /nfs/dbraw/zinc/84/02/65/657840265.db2.gz IVMNBWPMEGVGPN-JKSUJKDBSA-N 1 0 376.563 2.969 20 0 GFADRO C[NH+](C)Cc1ccc(S(=O)(=O)NC[C@H](O)c2c(F)cccc2Cl)cc1 ZINC000790028293 657913864 /nfs/dbraw/zinc/91/38/64/657913864.db2.gz ZXOVUTUOYCGWQH-INIZCTEOSA-N 1 0 386.876 2.553 20 0 GFADRO CCOCC[N@H+](CC)Cn1ncc2c1ccc(Br)c2C(=O)OC ZINC000790444746 657980321 /nfs/dbraw/zinc/98/03/21/657980321.db2.gz FRCHMNLVGYZUGN-UHFFFAOYSA-N 1 0 384.274 2.901 20 0 GFADRO CC(C)(C)c1cnc(C[NH2+]CC2CCN(S(=O)(=O)C(F)F)CC2)s1 ZINC000790470643 657988792 /nfs/dbraw/zinc/98/87/92/657988792.db2.gz KUODTSNDIRTNRW-UHFFFAOYSA-N 1 0 381.514 2.795 20 0 GFADRO COC(=O)[C@@H]1CC[C@@H]([NH2+][C@H]2CCN(c3ccc(Br)c(C)c3)C2=O)C1 ZINC000790556053 657998657 /nfs/dbraw/zinc/99/86/57/657998657.db2.gz WRFVKDRRUOTMNI-IOASZLSFSA-N 1 0 395.297 2.794 20 0 GFADRO Nc1nc(N2CCC[C@@H](OC(=O)c3cccc(Br)c3)C2)cc[nH+]1 ZINC000791110764 658060285 /nfs/dbraw/zinc/06/02/85/658060285.db2.gz XBSVJAQXQBYIOG-CYBMUJFWSA-N 1 0 377.242 2.647 20 0 GFADRO CC(C)[NH+]1CCN(CCCOC(=O)c2cc(Br)ccc2N)CC1 ZINC000791443867 658099024 /nfs/dbraw/zinc/09/90/24/658099024.db2.gz QESUJWLPAXFRAX-UHFFFAOYSA-N 1 0 384.318 2.604 20 0 GFADRO C[NH+](C)C[C@@H]1CN(C(=O)c2nc(Br)ccc2F)c2ccccc2O1 ZINC000791640973 658150505 /nfs/dbraw/zinc/15/05/05/658150505.db2.gz JWGUGCPJYHIMCF-LLVKDONJSA-N 1 0 394.244 2.953 20 0 GFADRO CC[NH+](CC)[C@H](C)CNC(=O)/C=C\c1ccc(I)o1 ZINC000791917460 658205012 /nfs/dbraw/zinc/20/50/12/658205012.db2.gz TZTICLMSZWOHRJ-GXMKHXEJSA-N 1 0 376.238 2.744 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1cccc(Cl)n1)c1ccc(Cl)cc1 ZINC000793000317 658343740 /nfs/dbraw/zinc/34/37/40/658343740.db2.gz VIJRHTTYHNNDHS-ZDUSSCGKSA-N 1 0 381.263 2.746 20 0 GFADRO C[C@@H]1CO[C@@H](c2cccc(C(F)(F)F)c2)CN1C(=S)NCC[NH+](C)C ZINC000793257709 658377618 /nfs/dbraw/zinc/37/76/18/658377618.db2.gz WUYBIFSTPRECPG-IUODEOHRSA-N 1 0 375.460 2.903 20 0 GFADRO Cc1ccc(NC(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)nc1Br ZINC000794358442 658526116 /nfs/dbraw/zinc/52/61/16/658526116.db2.gz CAQXVSMPIQUFAV-KGLIPLIRSA-N 1 0 397.317 2.652 20 0 GFADRO Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1C[NH2+]C[C@](C)(O)CO ZINC000794748115 658607327 /nfs/dbraw/zinc/60/73/27/658607327.db2.gz JQOXHCVEITVWMD-HNNXBMFYSA-N 1 0 377.794 2.686 20 0 GFADRO COC(=O)C[C@]1(NCc2nc3cc(Br)ccc3o2)CCCOC1 ZINC000796015898 658880361 /nfs/dbraw/zinc/88/03/61/658880361.db2.gz SWKOMCXTZDGZEG-MRXNPFEDSA-N 1 0 383.242 2.792 20 0 GFADRO Cc1cc(Br)cc(C[NH2+]C[C@@H]2CCCCN2S(C)(=O)=O)c1 ZINC000796509534 658920533 /nfs/dbraw/zinc/92/05/33/658920533.db2.gz HRMGTTSHYKIISF-HNNXBMFYSA-N 1 0 375.332 2.661 20 0 GFADRO CCc1nnc(NC(=O)[C@H](C)[C@H](C)[NH2+]Cc2c(Cl)nc(Cl)n2C)s1 ZINC000796528205 658922183 /nfs/dbraw/zinc/92/21/83/658922183.db2.gz FCHYXDADLCNVQX-SFYZADRCSA-N 1 0 391.328 2.894 20 0 GFADRO CC(C)(C)OC(=O)N1CCN([C@H]2CC[N@H+](C[C@@H]3CC3(Cl)Cl)C2)CC1 ZINC000796617367 658927855 /nfs/dbraw/zinc/92/78/55/658927855.db2.gz OUSFJRLCRJYZRL-KBPBESRZSA-N 1 0 378.344 2.807 20 0 GFADRO CC(C)S(=O)(=O)CCC[NH2+][C@@H]1[C@H](C)CCN(C(=O)OC(C)(C)C)[C@H]1C ZINC000796652788 658929319 /nfs/dbraw/zinc/92/93/19/658929319.db2.gz NLIPVCXQBAIIQQ-OWCLPIDISA-N 1 0 376.563 2.823 20 0 GFADRO CNC(=O)[C@@]1(C)CC[N@H+](Cn2ccc(-c3ccc(Br)cc3)n2)C1 ZINC000797415502 659019178 /nfs/dbraw/zinc/01/91/78/659019178.db2.gz HIYDUHRIBPQINZ-KRWDZBQOSA-N 1 0 377.286 2.728 20 0 GFADRO CCc1ncc(S(=O)(=O)NC[C@]2(C)CC[N@H+](Cc3ccccc3)C2)s1 ZINC000798458707 659108332 /nfs/dbraw/zinc/10/83/32/659108332.db2.gz ROEMIQJVYJQPJM-SFHVURJKSA-N 1 0 379.551 2.896 20 0 GFADRO COc1cc(/C=C/C(=O)NC2(C[NH+](C)C)CCC2)cc(Br)c1O ZINC000799037977 659161280 /nfs/dbraw/zinc/16/12/80/659161280.db2.gz AMKVBCMJGNDXIC-AATRIKPKSA-N 1 0 383.286 2.777 20 0 GFADRO OCC[N@@H+](Cc1ccc(Br)s1)C[C@@H](O)c1ccc(F)cn1 ZINC000799322422 659180269 /nfs/dbraw/zinc/18/02/69/659180269.db2.gz IFAFDJLVMAYGFQ-CYBMUJFWSA-N 1 0 375.263 2.573 20 0 GFADRO C[NH+](C)CCOc1ccc(CNC(=O)N2CCC=C(Br)C2)cc1 ZINC000799363199 659184543 /nfs/dbraw/zinc/18/45/43/659184543.db2.gz VOPLBDUEVPSLMO-UHFFFAOYSA-N 1 0 382.302 2.821 20 0 GFADRO CC[NH+](CC)CCCOC(=O)[C@H](C)NC(=O)c1ccc(Br)s1 ZINC000800142245 659276853 /nfs/dbraw/zinc/27/68/53/659276853.db2.gz QAWBTDQCOGSZTC-NSHDSACASA-N 1 0 391.331 2.904 20 0 GFADRO COc1ccc(C(=O)OCCC[NH+]2CCCC2)cc1I ZINC000800184264 659287836 /nfs/dbraw/zinc/28/78/36/659287836.db2.gz NNMWCGYTXOWHQW-UHFFFAOYSA-N 1 0 389.233 2.943 20 0 GFADRO Cc1cn2c(nc(C)c2C[NH2+]CCS(=O)(=O)CCc2ccccc2)s1 ZINC000800311495 659300295 /nfs/dbraw/zinc/30/02/95/659300295.db2.gz NXSGZPCMXGIMOC-UHFFFAOYSA-N 1 0 377.535 2.760 20 0 GFADRO Cc1nn(C)c(Br)c1C(=O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000801082726 659366829 /nfs/dbraw/zinc/36/68/29/659366829.db2.gz GNOLBFHJYXCISK-UHFFFAOYSA-N 1 0 391.313 2.839 20 0 GFADRO Cc1nn(C)c(Br)c1C(=O)NCC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000801090137 659367334 /nfs/dbraw/zinc/36/73/34/659367334.db2.gz UCZKTTUYODLFDJ-RYUDHWBXSA-N 1 0 385.350 2.977 20 0 GFADRO CC[N@@H+]1CCCC[C@H]1CNC(=O)NC[C@@H](O)c1cccc(Br)c1 ZINC000801750319 659422883 /nfs/dbraw/zinc/42/28/83/659422883.db2.gz QECOXTDKMSOKNP-JKSUJKDBSA-N 1 0 384.318 2.656 20 0 GFADRO CCN1CC[C@H]([NH2+]CCCCS(C)(=O)=O)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000801955586 659436404 /nfs/dbraw/zinc/43/64/04/659436404.db2.gz QKAQKVQSAGRJIK-DOTOQJQBSA-N 1 0 378.460 2.654 20 0 GFADRO C[N@@H+]1CCCC[C@H]1CCC(=O)O[C@@H](C(N)=O)c1ccc(Br)cc1 ZINC000803858589 659610419 /nfs/dbraw/zinc/61/04/19/659610419.db2.gz GZWKORFFJXAWLK-GOEBONIOSA-N 1 0 383.286 2.783 20 0 GFADRO CC(C)CC[NH+]1CCC(CNS(=O)(=O)c2cnc(Cl)c(F)c2)CC1 ZINC000805028797 659721385 /nfs/dbraw/zinc/72/13/85/659721385.db2.gz KVNOEAZXDWEOMR-UHFFFAOYSA-N 1 0 377.913 2.911 20 0 GFADRO CN(CC[NH2+][C@H]1CCc2nc(Cl)ccc21)S(=O)(=O)c1ccc(F)cc1 ZINC000806163078 659826505 /nfs/dbraw/zinc/82/65/05/659826505.db2.gz AWCOORCZTPIIAE-HNNXBMFYSA-N 1 0 383.876 2.772 20 0 GFADRO C[NH+](C)CCn1cc(NC(=O)c2nc(Br)sc2C2CC2)cn1 ZINC000806690249 659840005 /nfs/dbraw/zinc/84/00/05/659840005.db2.gz WBBQUJNFOOYMQJ-UHFFFAOYSA-N 1 0 384.303 2.793 20 0 GFADRO CCN(CCC[NH+]1CCCC1)C(=O)c1cccnc1I ZINC000807368184 659852632 /nfs/dbraw/zinc/85/26/32/659852632.db2.gz ASGNBHSILNXWEP-UHFFFAOYSA-N 1 0 387.265 2.634 20 0 GFADRO NS(=O)(=O)c1cc(C[NH2+]C[C@H]2COC3(CCCCCC3)O2)ccc1Cl ZINC000809425540 659927536 /nfs/dbraw/zinc/92/75/36/659927536.db2.gz MPMVAPQFMDTBIT-AWEZNQCLSA-N 1 0 388.917 2.543 20 0 GFADRO CCCC[N@H+](C)C[C@@H](C)NC(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000809871143 659951190 /nfs/dbraw/zinc/95/11/90/659951190.db2.gz UHOFQABBFQGVOP-GFCCVEGCSA-N 1 0 377.457 2.925 20 0 GFADRO CC[NH+](CC)CCS(=O)(=O)N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000810050591 659957863 /nfs/dbraw/zinc/95/78/63/659957863.db2.gz IHBMNDYHTUWCPW-SFHVURJKSA-N 1 0 388.961 2.757 20 0 GFADRO CCN(CCC[N@@H+]1CCC[C@@H](CNC(=O)C(F)(F)F)C1)CC(F)(F)F ZINC000810069234 659959039 /nfs/dbraw/zinc/95/90/39/659959039.db2.gz FBSDKIXDLZTMCE-LBPRGKRZSA-N 1 0 377.373 2.651 20 0 GFADRO CC(C)[C@](C)(CO)[NH2+]C[C@H](O)COc1ccc(Cl)cc1Br ZINC000810077530 659959874 /nfs/dbraw/zinc/95/98/74/659959874.db2.gz XODZFOVYUFVVJQ-WFASDCNBSA-N 1 0 380.710 2.839 20 0 GFADRO O[C@H](C[NH2+]Cc1cn2ccc(Br)cc2n1)COc1cccc(F)c1 ZINC000810134281 659963879 /nfs/dbraw/zinc/96/38/79/659963879.db2.gz RMYWXFHBVRWOCI-OAHLLOKOSA-N 1 0 394.244 2.765 20 0 GFADRO O=C(CCNC(=O)c1ccc(Br)cc1)O[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000810844956 659988261 /nfs/dbraw/zinc/98/82/61/659988261.db2.gz ACLZYDRXSFNBJF-JKSUJKDBSA-N 1 0 395.297 2.739 20 0 GFADRO CCC[NH+]1CCC(CNc2nc(CS(C)(=O)=O)nc(Cl)c2CC)CC1 ZINC000811787833 660015224 /nfs/dbraw/zinc/01/52/24/660015224.db2.gz RQBYNXMWWCZTFT-UHFFFAOYSA-N 1 0 388.965 2.771 20 0 GFADRO CC(C)(C)OC(=O)NC[C@](C)(O)C[NH2+]Cc1cc(F)ccc1Br ZINC000811813842 660015882 /nfs/dbraw/zinc/01/58/82/660015882.db2.gz IXSJVKGOGJHDMM-MRXNPFEDSA-N 1 0 391.281 2.954 20 0 GFADRO CC(C)[N@@H+](C)C[C@H](C)NC(=O)/C=C/c1ccc(I)o1 ZINC000811929063 660017776 /nfs/dbraw/zinc/01/77/76/660017776.db2.gz APTALTWUCOZPLN-IOCXFXADSA-N 1 0 376.238 2.742 20 0 GFADRO COC(=O)c1cc(C[NH2+]C[C@H](O)c2cccc(Br)c2)n(C)c1C ZINC000812757769 660034402 /nfs/dbraw/zinc/03/44/02/660034402.db2.gz UFDLVKMPNRKKEF-INIZCTEOSA-N 1 0 381.270 2.706 20 0 GFADRO C[C@@H]([NH2+]C[C@H]1CC2(CC2)C(=O)O1)c1ccc(Br)cc1OCCCO ZINC000812885190 660036167 /nfs/dbraw/zinc/03/61/67/660036167.db2.gz MPUKZMPSQYUSFB-TZMCWYRMSA-N 1 0 398.297 2.957 20 0 GFADRO C[N@@H+]1CC[C@]2(CCN(S(=O)(=O)c3cc4ccc(Cl)nc4cc3F)C2)C1 ZINC000813759354 660063255 /nfs/dbraw/zinc/06/32/55/660063255.db2.gz BWYXKPCVXCIJIW-KRWDZBQOSA-N 1 0 383.876 2.744 20 0 GFADRO O=C(c1nc(C2CC2)ncc1Br)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000813803288 660064796 /nfs/dbraw/zinc/06/47/96/660064796.db2.gz DHYQLRUJGFONPG-CYBMUJFWSA-N 1 0 379.302 2.817 20 0 GFADRO CC(C)[NH+]1CCN(CCCOC(=O)Cc2ccc(Br)cc2O)CC1 ZINC000814481055 660086523 /nfs/dbraw/zinc/08/65/23/660086523.db2.gz LAYKAWIHKQTHII-UHFFFAOYSA-N 1 0 399.329 2.657 20 0 GFADRO CN(C)C(=O)OC1CC[NH+](CCC(=O)Nc2ccccc2Br)CC1 ZINC000815193643 660116289 /nfs/dbraw/zinc/11/62/89/660116289.db2.gz UJHGAJRTNTWJLC-UHFFFAOYSA-N 1 0 398.301 2.940 20 0 GFADRO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)c2cn3c(Br)cnc3s2)C1 ZINC000815738950 660129728 /nfs/dbraw/zinc/12/97/28/660129728.db2.gz JOTAVYYSHYMAOB-GFCCVEGCSA-N 1 0 397.342 2.962 20 0 GFADRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)c2cn3c(Br)cnc3s2)C1 ZINC000815784302 660131123 /nfs/dbraw/zinc/13/11/23/660131123.db2.gz WMDLEZPLYKKLSI-NSHDSACASA-N 1 0 385.331 2.866 20 0 GFADRO C[NH+](C)CCOc1cccc(CNC(=O)c2nc(F)ccc2Br)c1 ZINC000816889676 660171496 /nfs/dbraw/zinc/17/14/96/660171496.db2.gz IGGMAUHUYKWFBB-UHFFFAOYSA-N 1 0 396.260 2.854 20 0 GFADRO CN(C(=O)N[C@@H]1CCN(c2ccc(Br)cc2)C1)C1CCC([NH3+])CC1 ZINC000841787097 661313131 /nfs/dbraw/zinc/31/31/31/661313131.db2.gz NHMDLZHKFQITSS-HWOWSKLDSA-N 1 0 395.345 2.939 20 0 GFADRO CN(C(=O)N[C@H]1CCN(c2ccccc2Br)C1)C1CCC([NH3+])CC1 ZINC000841804397 661315371 /nfs/dbraw/zinc/31/53/71/661315371.db2.gz DENMIRXFKGYEAA-SLTAFYQDSA-N 1 0 395.345 2.939 20 0 GFADRO O=C(NCCSCc1ccnc(Cl)c1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000841875237 661316900 /nfs/dbraw/zinc/31/69/00/661316900.db2.gz NQNCMZJUMCHDON-INIZCTEOSA-N 1 0 382.961 2.999 20 0 GFADRO CC(C)C[C@H](C[NH3+])NC(=O)N1CCO[C@@H](c2ccccc2Br)C1 ZINC000841953777 661318406 /nfs/dbraw/zinc/31/84/06/661318406.db2.gz LNBLDOKRLMADFE-CZUORRHYSA-N 1 0 384.318 2.905 20 0 GFADRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N1CCO[C@H](c2ccccc2Br)C1 ZINC000841988507 661319000 /nfs/dbraw/zinc/31/90/00/661319000.db2.gz LADDGIMIFDLBOV-KCXAZCMYSA-N 1 0 382.302 2.530 20 0 GFADRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)N2CCO[C@H](c3ccccc3Br)C2)C1 ZINC000842010541 661319838 /nfs/dbraw/zinc/31/98/38/661319838.db2.gz MIGBTTNCNWKPNV-IOASZLSFSA-N 1 0 382.302 2.659 20 0 GFADRO CCOC(=O)c1noc(CONC(=[NH2+])COc2ccc(Cl)cc2Cl)n1 ZINC000842022480 661320169 /nfs/dbraw/zinc/32/01/69/661320169.db2.gz HJFRWFMXMJYILA-UHFFFAOYSA-N 1 0 389.195 2.631 20 0 GFADRO CC[N@H+](CCN1C(=O)[C@@H]2Cc3c(Br)cccc3CN2C1=O)C1CC1 ZINC000842239956 661329406 /nfs/dbraw/zinc/32/94/06/661329406.db2.gz LMAPUUKUUFWVSC-INIZCTEOSA-N 1 0 392.297 2.622 20 0 GFADRO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(S(=O)(=O)/C=C\c2ccccc2Cl)CC1 ZINC000842484804 661341781 /nfs/dbraw/zinc/34/17/81/661341781.db2.gz AJUBNPGWLSLUIF-IIEKUHJVSA-N 1 0 384.929 2.859 20 0 GFADRO O=C1c2ccc(Br)cc2C(=O)N1C[N@@H+]1CCC[C@@H]1[C@@H]1CCCOC1 ZINC000842615287 661345356 /nfs/dbraw/zinc/34/53/56/661345356.db2.gz LMHTVFQNHLWVOR-MLGOLLRUSA-N 1 0 393.281 2.894 20 0 GFADRO O=C1[C@@H](c2nc([C@H]3CCC[NH2+]C3)no2)CCN1c1cccc(Br)c1 ZINC000842664372 661347873 /nfs/dbraw/zinc/34/78/73/661347873.db2.gz CYVFRKROHQFZSB-SMDDNHRTSA-N 1 0 391.269 2.820 20 0 GFADRO Cc1cc(Br)cc(S(=O)(=O)NCc2ccc(CC[NH3+])cc2)c1 ZINC000842703207 661350202 /nfs/dbraw/zinc/35/02/02/661350202.db2.gz XCFSEGQJWMETRU-UHFFFAOYSA-N 1 0 383.311 2.737 20 0 GFADRO CC(C)(C[NH2+]Cc1ccccc1I)[C@@]1(O)CCOC1 ZINC000842758070 661352899 /nfs/dbraw/zinc/35/28/99/661352899.db2.gz FVSBUFURIDXESX-OAHLLOKOSA-N 1 0 375.250 2.558 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H]2CN(S(=O)(=O)/C=C/c3ccccc3Br)C[C@@H]21 ZINC000842794059 661354539 /nfs/dbraw/zinc/35/45/39/661354539.db2.gz PPBXHDNFVXWDSL-XUWCZRAQSA-N 1 0 385.327 2.809 20 0 GFADRO [NH3+]C1CC2(C1)CC(NS(=O)(=O)Cc1ccc(Br)cc1Cl)C2 ZINC000842796280 661354950 /nfs/dbraw/zinc/35/49/50/661354950.db2.gz BVJBJNHMKUQZCD-UHFFFAOYSA-N 1 0 393.734 2.792 20 0 GFADRO [NH3+]CCCN(Cc1ccccc1)S(=O)(=O)c1c(Cl)nc2sccn21 ZINC000842814234 661355959 /nfs/dbraw/zinc/35/59/59/661355959.db2.gz AEKKMBLRSJERRQ-UHFFFAOYSA-N 1 0 384.914 2.589 20 0 GFADRO [NH3+]C[C@H]1CC[C@H](CNS(=O)(=O)c2cc(Br)cnc2Cl)CC1 ZINC000842864799 661357783 /nfs/dbraw/zinc/35/77/83/661357783.db2.gz VKLPPLRUYCVCMF-MGCOHNPYSA-N 1 0 396.738 2.541 20 0 GFADRO O=S(=O)(c1cnc(Cl)c(Cl)c1)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000842873045 661358211 /nfs/dbraw/zinc/35/82/11/661358211.db2.gz GUSFLLGOZIPBKR-VXGBXAGGSA-N 1 0 378.325 2.789 20 0 GFADRO CCC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000842894632 661359261 /nfs/dbraw/zinc/35/92/61/661359261.db2.gz VSEWCBUHGRLKRA-GJZGRUSLSA-N 1 0 384.929 2.943 20 0 GFADRO [NH3+]CCCCCCNC(=O)Nc1cc(Br)ccc1N1CCOCC1 ZINC000843039855 661365036 /nfs/dbraw/zinc/36/50/36/661365036.db2.gz WBAALZCRBSHSTN-UHFFFAOYSA-N 1 0 399.333 2.926 20 0 GFADRO Cc1cc(Br)cc(Cl)c1NC(=O)C(=O)NCCCCCC[NH3+] ZINC000843050095 661365391 /nfs/dbraw/zinc/36/53/91/661365391.db2.gz BTKUORAHPKJPCH-UHFFFAOYSA-N 1 0 390.709 2.985 20 0 GFADRO [NH3+]CCCCCCNC(=O)C(=O)Nc1cccc2c(Br)ccnc12 ZINC000843053079 661365512 /nfs/dbraw/zinc/36/55/12/661365512.db2.gz HWXQGTXOMDRMSR-UHFFFAOYSA-N 1 0 393.285 2.571 20 0 GFADRO C[C@H]([NH2+]C[C@H](O)COc1cccc(Br)c1)[C@H](O)c1ccccc1 ZINC000843062252 661365636 /nfs/dbraw/zinc/36/56/36/661365636.db2.gz NQDVDZZOGSMVLH-OWQGQXMQSA-N 1 0 380.282 2.901 20 0 GFADRO COc1cccc([C@H](O)C[NH2+]C[C@H](O)COc2ccc(Br)cc2)c1 ZINC000843070018 661366113 /nfs/dbraw/zinc/36/61/13/661366113.db2.gz VCVIOXYXIODHHF-MAUKXSAKSA-N 1 0 396.281 2.521 20 0 GFADRO COc1cccc([C@H](O)C[NH2+]C[C@H](O)COc2cccc(Br)c2)c1 ZINC000843068388 661366175 /nfs/dbraw/zinc/36/61/75/661366175.db2.gz MZIHVUGBKRWFRO-MAUKXSAKSA-N 1 0 396.281 2.521 20 0 GFADRO Cc1cccc(OC[C@@H](O)C[NH2+]C[C@H](O)c2ccccc2Br)c1 ZINC000843070579 661366396 /nfs/dbraw/zinc/36/63/96/661366396.db2.gz VOSVFPVOBMAGMM-KSSFIOAISA-N 1 0 380.282 2.820 20 0 GFADRO O[C@@H](C[NH2+]C[C@H](O)COc1cc(F)cc(Br)c1)c1ccsc1 ZINC000843081601 661366798 /nfs/dbraw/zinc/36/67/98/661366798.db2.gz DIXSQLBIBTWPNI-ZFWWWQNUSA-N 1 0 390.274 2.713 20 0 GFADRO O[C@@H](C[NH2+]C[C@H](O)COc1ccccc1Br)c1cccc(F)c1 ZINC000843094271 661367576 /nfs/dbraw/zinc/36/75/76/661367576.db2.gz KDFREVQXRAKNQP-HOCLYGCPSA-N 1 0 384.245 2.651 20 0 GFADRO Cc1ccc(OC[C@H](O)C[NH2+]C[C@@H](O)c2ccccc2Br)cc1 ZINC000843097637 661367635 /nfs/dbraw/zinc/36/76/35/661367635.db2.gz ZZIFUAGRKNYKGU-RDTXWAMCSA-N 1 0 380.282 2.820 20 0 GFADRO CC(=O)N[C@@H](Cc1nc(C2CC[NH2+]CC2)no1)c1ccc(Br)cc1 ZINC000843137271 661370593 /nfs/dbraw/zinc/37/05/93/661370593.db2.gz WEIOQJFDZBKOBP-HNNXBMFYSA-N 1 0 393.285 2.719 20 0 GFADRO COc1cc(Br)c(Cc2noc(C[NH2+]CC3CC3)n2)cc1OC ZINC000843197162 661371524 /nfs/dbraw/zinc/37/15/24/661371524.db2.gz PELIZORGIBQCGC-UHFFFAOYSA-N 1 0 382.258 2.940 20 0 GFADRO [NH3+]Cc1ccc(-c2nc(Cc3cc(Br)c4c(c3)OCCO4)no2)o1 ZINC000843202874 661372304 /nfs/dbraw/zinc/37/23/04/661372304.db2.gz MFKMTFYILYDZAE-UHFFFAOYSA-N 1 0 392.209 2.913 20 0 GFADRO O=C(Cc1noc([C@@H]2CC23CC[NH2+]CC3)n1)Nc1ccccc1Br ZINC000843218973 661373521 /nfs/dbraw/zinc/37/35/21/661373521.db2.gz NKUJFHLQXRRUQW-NSHDSACASA-N 1 0 391.269 2.870 20 0 GFADRO CC(C)([NH3+])CCc1nc(COc2ccc(I)cc2)no1 ZINC000843227100 661373877 /nfs/dbraw/zinc/37/38/77/661373877.db2.gz SDFOURHUSUUILC-UHFFFAOYSA-N 1 0 387.221 2.923 20 0 GFADRO Ic1ccc(OCc2noc(CC[C@@H]3CC[NH2+]C3)n2)cc1 ZINC000843227267 661373883 /nfs/dbraw/zinc/37/38/83/661373883.db2.gz VTGBIKPEEBTQLJ-LLVKDONJSA-N 1 0 399.232 2.795 20 0 GFADRO C[C@H](NC(=O)Cc1noc([C@@]2(F)CC[NH2+]C2)n1)c1ccc(Cl)cc1Cl ZINC000843226250 661373912 /nfs/dbraw/zinc/37/39/12/661373912.db2.gz VTHMFAAXBQQFQK-XXFAHNHDSA-N 1 0 387.242 2.954 20 0 GFADRO O=C(NCc1noc([C@H]2CC23CC[NH2+]CC3)n1)c1ccc(Br)cc1 ZINC000843230010 661374376 /nfs/dbraw/zinc/37/43/76/661374376.db2.gz HHNFALPWYBTHOO-CYBMUJFWSA-N 1 0 391.269 2.619 20 0 GFADRO O=S(=O)(Cc1noc([C@@H]2CC23CC[NH2+]CC3)n1)Cc1ccc(Cl)cc1 ZINC000843239131 661374584 /nfs/dbraw/zinc/37/45/84/661374584.db2.gz DWBMYPDYFRBPIR-AWEZNQCLSA-N 1 0 381.885 2.695 20 0 GFADRO Cc1[nH]c(=O)c(C(=O)N2CCCc3cc(C[NH3+])ccc32)cc1Br ZINC000843343477 661378336 /nfs/dbraw/zinc/37/83/36/661378336.db2.gz VBTLTCYRLMWKMM-UHFFFAOYSA-N 1 0 376.254 2.910 20 0 GFADRO COc1c(Br)cc(Cl)cc1NC(=O)CO[C@H]1CCC[NH2+]C1 ZINC000843372259 661378769 /nfs/dbraw/zinc/37/87/69/661378769.db2.gz RBOKFDZFBGKARY-JTQLQIEISA-N 1 0 377.666 2.818 20 0 GFADRO CCOC(=O)c1cc(C[NH2+]C(C)(C)[C@H](O)c2ccc(Br)cc2)[nH]n1 ZINC000843403507 661379795 /nfs/dbraw/zinc/37/97/95/661379795.db2.gz HIQBCQLEQZADLI-OAHLLOKOSA-N 1 0 396.285 2.951 20 0 GFADRO C[C@@]([NH3+])(C(=O)N1CCc2cc(Cl)nnc2C1)c1ccc(Br)cc1 ZINC000843503371 661383590 /nfs/dbraw/zinc/38/35/90/661383590.db2.gz CZLINFUOMICHPP-INIZCTEOSA-N 1 0 395.688 2.651 20 0 GFADRO Cc1nn(C)c(Br)c1C(=O)NC[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000844052941 661402002 /nfs/dbraw/zinc/40/20/02/661402002.db2.gz ZQWGOQPNCGMTJR-CABCVRRESA-N 1 0 391.313 2.566 20 0 GFADRO CC[N@H+](Cc1cc(Cl)cc(S(N)(=O)=O)c1)[C@H](C)[C@@H](O)c1ccccc1 ZINC000844329551 661416088 /nfs/dbraw/zinc/41/60/88/661416088.db2.gz HKNOPZVYYPDNBK-FZKQIMNGSA-N 1 0 382.913 2.931 20 0 GFADRO COC(=O)CC1([NH2+]C[C@H](O)COc2ccc(Cl)cc2Br)CC1 ZINC000844387501 661418430 /nfs/dbraw/zinc/41/84/30/661418430.db2.gz QMZJQPMXCKBQGD-NSHDSACASA-N 1 0 392.677 2.528 20 0 GFADRO C[C@H](C[N@@H+]1CCC[C@H](C)[C@H]1CCNC(=O)OC(C)(C)C)CS(C)(=O)=O ZINC000844400171 661419323 /nfs/dbraw/zinc/41/93/23/661419323.db2.gz JOORKWGUVMMRCZ-OWCLPIDISA-N 1 0 376.563 2.682 20 0 GFADRO C[C@@]1(O)CCC[N@H+](CN2CC(c3ccc(Br)cc3)=CC2=O)CC1 ZINC000844704318 661436223 /nfs/dbraw/zinc/43/62/23/661436223.db2.gz MLVFTZZZIAPBSV-GOSISDBHSA-N 1 0 379.298 2.869 20 0 GFADRO O=C(C1SCCCS1)N1CCO[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]21 ZINC000844843317 661444697 /nfs/dbraw/zinc/44/46/97/661444697.db2.gz ZDJXGRQIBMJFJW-SJORKVTESA-N 1 0 378.563 2.685 20 0 GFADRO Cn1nc(C(F)(F)F)c(CN2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)c1Cl ZINC000844903152 661448866 /nfs/dbraw/zinc/44/88/66/661448866.db2.gz TYEWLDGIBKRNEJ-DMDPSCGWSA-N 1 0 380.842 2.811 20 0 GFADRO O=C(NCc1noc([C@H]2CC[C@H](C3CC3)[NH2+]2)n1)c1ccc(Br)cc1 ZINC000844920583 661449489 /nfs/dbraw/zinc/44/94/89/661449489.db2.gz TZFISTCKBYUJGB-ZIAGYGMSSA-N 1 0 391.269 2.965 20 0 GFADRO Cn1cncc1[C@@H]1[C@@H](COC(=O)[C@H]2CSCCS2)CCC[N@@H+]1C1CC1 ZINC000845813460 661498300 /nfs/dbraw/zinc/49/83/00/661498300.db2.gz USQIKIIOZTWTTI-XYPHTWIQSA-N 1 0 381.567 2.727 20 0 GFADRO COCC[C@@H](Cc1cccc(Br)c1)C(=O)NOC1CC[NH+](C)CC1 ZINC000846648929 661560803 /nfs/dbraw/zinc/56/08/03/661560803.db2.gz ZYDNYOLJQHNXIG-HNNXBMFYSA-N 1 0 399.329 2.786 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2C(=O)/C=C\c2ccc(Br)o2)C1 ZINC000846700697 661562267 /nfs/dbraw/zinc/56/22/67/661562267.db2.gz WHUPNOGXDOAWJP-BQJZLMIASA-N 1 0 383.286 2.943 20 0 GFADRO C[C@@H]1COCC[N@@H+]1C1CCN(Cc2c(Cl)n(C)nc2C(F)(F)F)CC1 ZINC000846913790 661570344 /nfs/dbraw/zinc/57/03/44/661570344.db2.gz USLUWDROQMKHPO-LLVKDONJSA-N 1 0 380.842 2.777 20 0 GFADRO O=C(Nc1cccnc1Br)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000847158425 661577809 /nfs/dbraw/zinc/57/78/09/661577809.db2.gz NXONQOKSLCGOJM-CYBMUJFWSA-N 1 0 383.290 2.563 20 0 GFADRO Cc1cc(Br)ccc1CC(=O)NC[C@@H](C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000847177680 661579565 /nfs/dbraw/zinc/57/95/65/661579565.db2.gz JXPPHSQRAJNFJH-KFWWJZLASA-N 1 0 383.330 2.914 20 0 GFADRO O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cnc(F)c(Br)c1 ZINC000847302120 661586745 /nfs/dbraw/zinc/58/67/45/661586745.db2.gz KLJFKWAVKCNRED-AWEZNQCLSA-N 1 0 378.245 2.988 20 0 GFADRO C[NH+](C)CCN(Cc1ccccn1)C(=O)c1nc(F)ccc1Br ZINC000847456624 661593396 /nfs/dbraw/zinc/59/33/96/661593396.db2.gz OMFMXKFONYNVSX-UHFFFAOYSA-N 1 0 381.249 2.582 20 0 GFADRO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)c2nc(Cl)sc2Cl)CC1 ZINC000847462961 661593425 /nfs/dbraw/zinc/59/34/25/661593425.db2.gz FLPXJCDDIWQWHE-NSHDSACASA-N 1 0 377.341 2.692 20 0 GFADRO C[NH+](C)C1(CNC(=O)c2cnc(F)c(Br)c2)Cc2ccccc2C1 ZINC000847519839 661595476 /nfs/dbraw/zinc/59/54/76/661595476.db2.gz GRVWGJACUVRWLP-UHFFFAOYSA-N 1 0 392.272 2.812 20 0 GFADRO C[C@@H](NC(=O)c1ccc(Br)s1)C(=O)OCC[C@@H]1CC[N@H+](C)C1 ZINC000847824977 661612284 /nfs/dbraw/zinc/61/22/84/661612284.db2.gz PPDHPXYJSZILLY-MNOVXSKESA-N 1 0 389.315 2.514 20 0 GFADRO CCOP(=O)(CN(C)C(=O)C1CC[NH+]([C@@H]2CCSC2)CC1)OCC ZINC000848234459 661634235 /nfs/dbraw/zinc/63/42/35/661634235.db2.gz PTWCPNJALQSECU-OAHLLOKOSA-N 1 0 378.475 2.886 20 0 GFADRO O=Cc1ccc(OCC(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)c(Br)c1 ZINC000848351292 661643085 /nfs/dbraw/zinc/64/30/85/661643085.db2.gz CDMSGOFFIAYYCW-JKSUJKDBSA-N 1 0 395.297 2.774 20 0 GFADRO O=C(N[C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1c(Br)nc2n1CCCC2 ZINC000848352104 661643388 /nfs/dbraw/zinc/64/33/88/661643388.db2.gz LIIOEPYYRKVDLO-STQMWFEESA-N 1 0 381.318 2.729 20 0 GFADRO CCC(C)(C)[NH+]1CCN(CN2c3cccc(Br)c3C(=O)C2=O)CC1 ZINC000848495413 661656258 /nfs/dbraw/zinc/65/62/58/661656258.db2.gz GSIBVKKWNQSQRP-UHFFFAOYSA-N 1 0 394.313 2.742 20 0 GFADRO Brc1cc2c(cc1NC1CC[NH+]([C@H]3CCOC3)CC1)OCCO2 ZINC000848544299 661663021 /nfs/dbraw/zinc/66/30/21/661663021.db2.gz PJCGTPNUTMEDSC-ZDUSSCGKSA-N 1 0 383.286 2.886 20 0 GFADRO [NH2+]=C(NCCC1CCS(=O)(=O)CC1)Nc1ccc(OC(F)(F)F)cc1 ZINC000849052958 661690536 /nfs/dbraw/zinc/69/05/36/661690536.db2.gz SQXIHANWTQUUJE-UHFFFAOYSA-N 1 0 379.404 2.736 20 0 GFADRO COc1ccc(C[C@@H](CO)CNC(=[NH2+])N2CCCCC2)cc1Br ZINC000849115039 661692699 /nfs/dbraw/zinc/69/26/99/661692699.db2.gz CGXJKMRUCOKCGU-CQSZACIVSA-N 1 0 384.318 2.619 20 0 GFADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@H]2C(=O)Nc2cc(Br)ccc2O)cn1 ZINC000849567471 661734171 /nfs/dbraw/zinc/73/41/71/661734171.db2.gz IFGQXNQGWMYMSY-KGLIPLIRSA-N 1 0 393.285 2.562 20 0 GFADRO COc1cc(OC)cc([C@H](O)C[NH2+]Cc2cncc(Br)c2C)c1 ZINC000850146802 661766092 /nfs/dbraw/zinc/76/60/92/661766092.db2.gz YCIYOTZPBXRKSB-QGZVFWFLSA-N 1 0 381.270 2.993 20 0 GFADRO Cc1c(Br)cncc1C[NH2+]CCS(=O)(=O)CCc1ccccc1 ZINC000850287826 661769400 /nfs/dbraw/zinc/76/94/00/661769400.db2.gz XWLTVXQQBOBKHG-UHFFFAOYSA-N 1 0 397.338 2.900 20 0 GFADRO COc1cncc(C[NH2+]C[C@@H](CO)Cc2cc(Br)ccc2F)c1 ZINC000850318082 661770079 /nfs/dbraw/zinc/77/00/79/661770079.db2.gz OVFQREGZVGPRDJ-ZDUSSCGKSA-N 1 0 383.261 2.933 20 0 GFADRO C[C@H](CC[NH2+][C@H]1CCN(C(=O)C(F)(F)F)Cc2ccccc21)[S@](C)=O ZINC000850445597 661776394 /nfs/dbraw/zinc/77/63/94/661776394.db2.gz FVIHWXQUBXRJKL-ZIBDJOFNSA-N 1 0 376.444 2.769 20 0 GFADRO C[C@H]([NH2+]CC[S@@](=O)CC(F)(F)F)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000850490735 661778527 /nfs/dbraw/zinc/77/85/27/661778527.db2.gz FZYNFSVHLWWKJF-YGWIHHTISA-N 1 0 393.399 2.645 20 0 GFADRO COC[C@@H]([NH2+][C@@H](C)c1ccc(S(=O)(=O)C(F)F)cc1)C1CCOCC1 ZINC000850492087 661778830 /nfs/dbraw/zinc/77/88/30/661778830.db2.gz LCXGFCWUWDUUHS-BLLLJJGKSA-N 1 0 377.453 2.775 20 0 GFADRO C[C@@H]([NH2+]CC[S@](=O)CC(F)(F)F)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000850496618 661779510 /nfs/dbraw/zinc/77/95/10/661779510.db2.gz PMRYSJBERJWMKC-YDBLSZJJSA-N 1 0 386.480 2.923 20 0 GFADRO O=S(=O)(CC[NH2+][C@@H](Cc1ccncc1)c1cccs1)CC(F)(F)F ZINC000850517846 661780220 /nfs/dbraw/zinc/78/02/20/661780220.db2.gz DVVPDJFNYQALOR-ZDUSSCGKSA-N 1 0 378.441 2.994 20 0 GFADRO C[C@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]CCS(=O)(=O)CC(F)(F)F ZINC000850518756 661780617 /nfs/dbraw/zinc/78/06/17/661780617.db2.gz DKVDYHZSZPNNFL-SNVBAGLBSA-N 1 0 386.823 2.624 20 0 GFADRO CC(C)[C@@H](CC[NH2+][C@H]1CCCC[C@H]1S(C)(=O)=O)NC(=O)OC(C)(C)C ZINC000850565482 661781854 /nfs/dbraw/zinc/78/18/54/661781854.db2.gz CCYSGADHOVBYAY-OWCLPIDISA-N 1 0 376.563 2.871 20 0 GFADRO CC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCC[C@H](C3CC[NH2+]CC3)C2)c1 ZINC000850588680 661782354 /nfs/dbraw/zinc/78/23/54/661782354.db2.gz DGEITFAVCFYNJS-INIZCTEOSA-N 1 0 384.929 2.943 20 0 GFADRO CS(=O)(=O)c1cc(C(=O)N2CCCC[C@@H]2[C@H]2CCC[NH2+]C2)ccc1Cl ZINC000850716597 661788290 /nfs/dbraw/zinc/78/82/90/661788290.db2.gz ZNCQJUJRBGIYER-GOEBONIOSA-N 1 0 384.929 2.738 20 0 GFADRO O=C(CCn1cc(Br)cn1)OC[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000851466703 661820490 /nfs/dbraw/zinc/82/04/90/661820490.db2.gz WIOSZXQLZQXYEJ-INIZCTEOSA-N 1 0 378.270 2.853 20 0 GFADRO C[C@]1(C(=O)NCc2ccc3c(c2)C[NH2+]C3)CC1(Br)Br ZINC000851635191 661827344 /nfs/dbraw/zinc/82/73/44/661827344.db2.gz MMKCILOKBSKCRE-CYBMUJFWSA-N 1 0 388.103 2.802 20 0 GFADRO CC(C)[C@@H]([NH3+])CNC(=O)N1CC[C@@]2(C)[C@@H](C1)C2(Br)Br ZINC000851664768 661828017 /nfs/dbraw/zinc/82/80/17/661828017.db2.gz KEBXRBVNKOIABY-UMNHJUIQSA-N 1 0 397.155 2.507 20 0 GFADRO NC(=O)[C@@](O)(C[N@@H+]1CCC[C@H]1c1ccccc1Br)c1ccccc1 ZINC000851808356 661833391 /nfs/dbraw/zinc/83/33/91/661833391.db2.gz MOLGHOZERVZUKB-PKOBYXMFSA-N 1 0 389.293 2.959 20 0 GFADRO C[C@H](c1cccc(N2CCOC2=O)c1)[N@H+](C)CCn1cnc(Br)n1 ZINC000851997907 661848437 /nfs/dbraw/zinc/84/84/37/661848437.db2.gz OQVSGFBIUPEQPY-GFCCVEGCSA-N 1 0 394.273 2.690 20 0 GFADRO C[C@H]([NH2+]C[C@@H](O)c1ccccn1)c1ccc(Br)cc1OCCCO ZINC000852072276 661851585 /nfs/dbraw/zinc/85/15/85/661851585.db2.gz VJOHUBHXRHUXJZ-SUMWQHHRSA-N 1 0 395.297 2.990 20 0 GFADRO C[NH+](C)[C@@]1(CNC(=O)NC[C@H](O)c2ccc(Cl)c(Cl)c2)CCSC1 ZINC000852181361 661855892 /nfs/dbraw/zinc/85/58/92/661855892.db2.gz ABJVXSIMCMHQJC-GOEBONIOSA-N 1 0 392.352 2.763 20 0 GFADRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)N1CCn2ncc(Br)c2C1 ZINC000852186909 661856106 /nfs/dbraw/zinc/85/61/06/661856106.db2.gz KVEAKUIUSZMLOM-MGPQQGTHSA-N 1 0 398.349 2.537 20 0 GFADRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCn2ncc(Br)c2C1 ZINC000852186907 661856131 /nfs/dbraw/zinc/85/61/31/661856131.db2.gz KVEAKUIUSZMLOM-HZSPNIEDSA-N 1 0 398.349 2.537 20 0 GFADRO CN(C[C@H](O)C[NH2+][C@H](CO)c1cccc(Cl)c1Cl)C(=O)OC(C)(C)C ZINC000852678313 661870913 /nfs/dbraw/zinc/87/09/13/661870913.db2.gz AQGJCEBNUGXRRV-BXUZGUMPSA-N 1 0 393.311 2.844 20 0 GFADRO CC(C)[C@@H]([NH2+]Cc1nnnn1CC(F)(F)F)[C@@H](O)c1ccc(Cl)cc1 ZINC000852728863 661872375 /nfs/dbraw/zinc/87/23/75/661872375.db2.gz ICOPBINAQLQELC-KGLIPLIRSA-N 1 0 377.798 2.737 20 0 GFADRO CC(C)[C@H]([NH2+]Cc1nnnn1CC(F)(F)F)[C@H](O)c1ccc(Cl)cc1 ZINC000852728864 661872406 /nfs/dbraw/zinc/87/24/06/661872406.db2.gz ICOPBINAQLQELC-UONOGXRCSA-N 1 0 377.798 2.737 20 0 GFADRO C[NH+](C)CCC[C@@H]1CN(C[C@@H](O)c2ccc(F)c(Br)c2)CCO1 ZINC000852761519 661873662 /nfs/dbraw/zinc/87/36/62/661873662.db2.gz WZQYQHJOSDAQCY-RHSMWYFYSA-N 1 0 389.309 2.664 20 0 GFADRO O=C(Nc1cccc(C2SCCS2)c1)c1cnnn1C1CC[NH2+]CC1 ZINC000852774714 661874155 /nfs/dbraw/zinc/87/41/55/661874155.db2.gz FCEAOISSAHCJMV-UHFFFAOYSA-N 1 0 375.523 2.934 20 0 GFADRO CC[NH2+]CC1CCN(C(=O)[C@@]2(C)CC2(Br)Br)CC1 ZINC000852798622 661874705 /nfs/dbraw/zinc/87/47/05/661874705.db2.gz MXTFJBAEUFMUIA-GFCCVEGCSA-N 1 0 382.140 2.731 20 0 GFADRO [NH3+]C[C@@H]1CC(C(=O)N2CCC(OCc3ccc(Cl)c(Cl)c3)CC2)=NO1 ZINC000852849963 661875741 /nfs/dbraw/zinc/87/57/41/661875741.db2.gz MOJFHIFSCZUIMX-ZDUSSCGKSA-N 1 0 386.279 2.605 20 0 GFADRO CCOC(=O)[C@H](Cc1cc(Cl)cc(Cl)c1)NC(=O)C=C1CC[NH2+]CC1 ZINC000852853720 661875888 /nfs/dbraw/zinc/87/58/88/661875888.db2.gz OYPGWXVPKQUCOO-INIZCTEOSA-N 1 0 385.291 2.894 20 0 GFADRO CCOC(=O)[C@@H](Cc1cc(Cl)cc(Cl)c1)NC(=O)C=C1CC[NH2+]CC1 ZINC000852853721 661875951 /nfs/dbraw/zinc/87/59/51/661875951.db2.gz OYPGWXVPKQUCOO-MRXNPFEDSA-N 1 0 385.291 2.894 20 0 GFADRO C[C@]1(C(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)CC1(Br)Br ZINC000852881439 661876368 /nfs/dbraw/zinc/87/63/68/661876368.db2.gz WIQICEJVFFXIOC-CKYFFXLPSA-N 1 0 382.140 2.764 20 0 GFADRO [NH3+]CC[C@@H](NC(=O)c1cnn(-c2ccccc2)c1Br)C(F)(F)F ZINC000852882514 661876495 /nfs/dbraw/zinc/87/64/95/661876495.db2.gz JZDIVKZVJBYHDW-LLVKDONJSA-N 1 0 391.191 2.644 20 0 GFADRO O=C(NCCC[C@@H]1CCC[NH2+]1)c1cnn(-c2ccccc2)c1Br ZINC000852882378 661876525 /nfs/dbraw/zinc/87/65/25/661876525.db2.gz FMDPITFUWYCCNI-ZDUSSCGKSA-N 1 0 377.286 2.897 20 0 GFADRO C[NH2+]C[C@H](C)NC(=O)c1cnn(-c2ncccc2Cl)c1C(F)(F)Cl ZINC000852922315 661877167 /nfs/dbraw/zinc/87/71/67/661877167.db2.gz WZHDGRMOOCKBSY-QMMMGPOBSA-N 1 0 378.210 2.547 20 0 GFADRO C[NH+]1CCC(NC(=S)N2CCOc3cc(Br)ccc3C2)CC1 ZINC000853046840 661879601 /nfs/dbraw/zinc/87/96/01/661879601.db2.gz ALBYOCCKBVNJDW-UHFFFAOYSA-N 1 0 384.343 2.612 20 0 GFADRO O[C@H](C[NH2+]C[C@@H](O)c1cc(F)c(F)c(F)c1)COc1ccccc1Cl ZINC000853131211 661883136 /nfs/dbraw/zinc/88/31/36/661883136.db2.gz CBZNGLLGICGXOI-IAQYHMDHSA-N 1 0 375.774 2.820 20 0 GFADRO O=S1(=O)N=C(Cl)c2ccc(N3CC[C@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)cc21 ZINC000853454854 661889335 /nfs/dbraw/zinc/88/93/35/661889335.db2.gz KGXYUWNXEKJYAX-LRDDRELGSA-N 1 0 379.913 2.827 20 0 GFADRO O=S1(=O)N=C(Cl)c2ccc(N3CC[C@@H]4[C@H](CCC[N@@H+]4C4CC4)C3)cc21 ZINC000853454855 661889399 /nfs/dbraw/zinc/88/93/99/661889399.db2.gz KGXYUWNXEKJYAX-MLGOLLRUSA-N 1 0 379.913 2.827 20 0 GFADRO CN(CC1C[NH+](C)C1)Cn1nc2c(Cl)cc(C(F)(F)F)cn2c1=S ZINC000853554757 661892243 /nfs/dbraw/zinc/89/22/43/661892243.db2.gz CPUYICRXXHKXKH-UHFFFAOYSA-N 1 0 379.839 2.988 20 0 GFADRO O=C1CC[C@H]2C[N@H+](Cn3cc(-c4ccc(Br)cc4)cn3)CC[C@@H]2N1 ZINC000853560995 661892600 /nfs/dbraw/zinc/89/26/00/661892600.db2.gz YRNOSMGINZXYON-YOEHRIQHSA-N 1 0 389.297 2.871 20 0 GFADRO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1csc(I)n1 ZINC000854269009 661921696 /nfs/dbraw/zinc/92/16/96/661921696.db2.gz FXLKOBCYJOCKCF-JTQLQIEISA-N 1 0 393.294 2.742 20 0 GFADRO Brc1ccc(Cc2noc(-c3c[nH]nc3[C@H]3CC[NH2+]C3)n2)s1 ZINC000854144548 661916193 /nfs/dbraw/zinc/91/61/93/661916193.db2.gz ABXIUINBVCDJKH-QMMMGPOBSA-N 1 0 380.271 2.951 20 0 GFADRO Brc1cccc(-c2cc(-c3nc(N4CC[NH2+]CC4)no3)on2)c1 ZINC000854162923 661917313 /nfs/dbraw/zinc/91/73/13/661917313.db2.gz BIFIMNKGNREUPD-UHFFFAOYSA-N 1 0 376.214 2.564 20 0 GFADRO C[C@@H]1CN(C(=O)[C@@]2(C)CC2(Br)Br)CC[N@@H+](C2CC2)C1 ZINC000854677781 661947256 /nfs/dbraw/zinc/94/72/56/661947256.db2.gz OTQHGBZRNPCOAC-GXFFZTMASA-N 1 0 394.151 2.825 20 0 GFADRO COCC[N@@H+]1CCC[C@H](NC(=O)Cc2cc(C(F)(F)F)cc(Cl)n2)C1 ZINC000854980914 661964429 /nfs/dbraw/zinc/96/44/29/661964429.db2.gz IGOVQELLPAAJCO-LBPRGKRZSA-N 1 0 379.810 2.523 20 0 GFADRO C[C@H](Sc1nc2ccccc2s1)C(=O)NCCN(C)CCC[NH+](C)C ZINC000855415516 661991212 /nfs/dbraw/zinc/99/12/12/661991212.db2.gz XYLNXDWLFLLTCV-AWEZNQCLSA-N 1 0 380.583 2.777 20 0 GFADRO C[N@H+](CCc1ccccc1)[C@H]1CCN(C(=O)c2cc(Br)n[nH]2)C1 ZINC000855732765 662005620 /nfs/dbraw/zinc/00/56/20/662005620.db2.gz NQGWQECYFXKHMA-AWEZNQCLSA-N 1 0 377.286 2.561 20 0 GFADRO CC[NH+](CC)Cc1ccc(C(=O)N2CCn3ncc(Br)c3C2)o1 ZINC000856010974 662015429 /nfs/dbraw/zinc/01/54/29/662015429.db2.gz ROEWLPKHOZWZPU-UHFFFAOYSA-N 1 0 381.274 2.736 20 0 GFADRO COc1ccc(C(=O)NCC2CC[NH+](CC3CC3)CC2)nc1Br ZINC000856416706 662032648 /nfs/dbraw/zinc/03/26/48/662032648.db2.gz XACZBVWUMKJWST-UHFFFAOYSA-N 1 0 382.302 2.705 20 0 GFADRO C[NH+](C)CCC[C@H]1CN(C(=O)c2cc(Cl)ncc2Br)CCO1 ZINC000856431106 662033556 /nfs/dbraw/zinc/03/35/56/662033556.db2.gz PWBOKPDGZULBGW-NSHDSACASA-N 1 0 390.709 2.680 20 0 GFADRO Cn1nccc1[C@H](O)C1CC[NH+](C[C@H](O)c2ccccc2Br)CC1 ZINC000856799304 662044606 /nfs/dbraw/zinc/04/46/06/662044606.db2.gz PODQFMTYLGCRKH-ZWKOTPCHSA-N 1 0 394.313 2.662 20 0 GFADRO O=C(NCC[C@H]1CC1(Cl)Cl)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000856947739 662053529 /nfs/dbraw/zinc/05/35/29/662053529.db2.gz DASOUJFHGXIAQZ-RDJZCZTQSA-N 1 0 386.323 2.507 20 0 GFADRO CC(C)[NH+]1CCC(NC(=O)COC(=O)c2cscc2C(F)(F)F)CC1 ZINC000856984145 662056081 /nfs/dbraw/zinc/05/60/81/662056081.db2.gz FPXAKAPADQHIQS-UHFFFAOYSA-N 1 0 378.416 2.913 20 0 GFADRO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)c1c(Br)nc2n1CCOC2 ZINC000857090799 662063294 /nfs/dbraw/zinc/06/32/94/662063294.db2.gz AMFNOJIUCGWMBX-ZDUSSCGKSA-N 1 0 399.333 2.560 20 0 GFADRO C[N@@H+]1CCC[C@@H](c2cccc(C(=O)NCc3n[nH]cc3Br)c2)C1 ZINC000857117389 662063908 /nfs/dbraw/zinc/06/39/08/662063908.db2.gz IIQNTVIAWSVXCH-CQSZACIVSA-N 1 0 377.286 2.911 20 0 GFADRO CC(C)[NH+]1CCC(C(=O)N2CC(O)(c3ccc(Br)cc3)C2)CC1 ZINC000857337234 662074886 /nfs/dbraw/zinc/07/48/86/662074886.db2.gz GXXUJOUPNHHPJN-UHFFFAOYSA-N 1 0 381.314 2.599 20 0 GFADRO Cc1ccnn1CC(=O)N1C[C@@H]([NH+](C)C)CCc2cc(Br)ccc21 ZINC000857881700 662093684 /nfs/dbraw/zinc/09/36/84/662093684.db2.gz YRGMKXCNQMNAKW-INIZCTEOSA-N 1 0 391.313 2.864 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)N2CCc3nccc(Br)c3C2)C1 ZINC000857964773 662095655 /nfs/dbraw/zinc/09/56/55/662095655.db2.gz NHVOAZMYPWSNJS-QGZVFWFLSA-N 1 0 384.293 2.941 20 0 GFADRO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N1CCc2nccc(Br)c2C1 ZINC000857966345 662096246 /nfs/dbraw/zinc/09/62/46/662096246.db2.gz NMRZHZBEAXFTTE-KRWDZBQOSA-N 1 0 396.329 2.522 20 0 GFADRO CN1CC[N@H+](C)C[C@@H]1CNCc1c(F)ccc(C(F)(F)F)c1Br ZINC000858133642 662100283 /nfs/dbraw/zinc/10/02/83/662100283.db2.gz UADRPVALYCOFBT-JTQLQIEISA-N 1 0 398.242 2.942 20 0 GFADRO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NCc1cn(C)nc1Br ZINC000858139288 662100693 /nfs/dbraw/zinc/10/06/93/662100693.db2.gz IMFOVPNIBYSEQP-XJKSGUPXSA-N 1 0 378.318 2.578 20 0 GFADRO O=S(=O)(c1ccc(OCC[NH2+]Cc2ccnc(F)c2)cc1)C(F)(F)F ZINC000858154529 662102103 /nfs/dbraw/zinc/10/21/03/662102103.db2.gz KVHZJWUDPJVIRU-UHFFFAOYSA-N 1 0 378.347 2.683 20 0 GFADRO Cn1cc(C[NH2+][C@@H]2CCN(C)[C@@H]2c2ccc(F)c(F)c2)c(Br)n1 ZINC000858154564 662102156 /nfs/dbraw/zinc/10/21/56/662102156.db2.gz LOOYQNRFBHQALZ-HUUCEWRRSA-N 1 0 385.256 2.996 20 0 GFADRO C[C@@H]([NH2+][C@H](C)c1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccns1 ZINC000858578248 662115444 /nfs/dbraw/zinc/11/54/44/662115444.db2.gz OXJFETAJESHTTH-ZIAGYGMSSA-N 1 0 381.523 2.576 20 0 GFADRO Cc1cc(Br)c(F)cc1S(=O)(=O)N(C)C1CCC([NH3+])CC1 ZINC000858608896 662116106 /nfs/dbraw/zinc/11/61/06/662116106.db2.gz YYHNHZHRXGLEHH-UHFFFAOYSA-N 1 0 379.295 2.787 20 0 GFADRO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)c1cc(Br)cnc1F ZINC000858672375 662118870 /nfs/dbraw/zinc/11/88/70/662118870.db2.gz JYVNLXZHZBWDPF-CQSZACIVSA-N 1 0 380.261 2.886 20 0 GFADRO C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)OCc1ccc(Br)cc1 ZINC000859112663 662138388 /nfs/dbraw/zinc/13/83/88/662138388.db2.gz PSAHEZFZTKSSAC-AWEZNQCLSA-N 1 0 384.318 2.701 20 0 GFADRO C[NH+](C)C1CCN(CCNC(=O)/C=C\c2csc(C(F)(F)F)c2)CC1 ZINC000859883772 662177659 /nfs/dbraw/zinc/17/76/59/662177659.db2.gz LDZVBJZWWRUNDA-ARJAWSKDSA-N 1 0 375.460 2.922 20 0 GFADRO CC[NH+](CC)CCNC(=O)c1ccc(OC(=O)[C@H]2C[C@@]2(C)Br)cc1 ZINC000860551699 662205235 /nfs/dbraw/zinc/20/52/35/662205235.db2.gz FRMKHWINCDQDSL-CRAIPNDOSA-N 1 0 397.313 2.837 20 0 GFADRO CCC1([NH+]2CCOCC2)CCN(C(=O)Nc2cccc(Br)n2)CC1 ZINC000860936700 662221374 /nfs/dbraw/zinc/22/13/74/662221374.db2.gz JXSBKXKRWVWCTO-UHFFFAOYSA-N 1 0 397.317 2.953 20 0 GFADRO COCC[N@@H+]1CCC[C@H]1COC(=O)c1cnc2ncc(Br)cc2c1 ZINC000861036609 662224999 /nfs/dbraw/zinc/22/49/99/662224999.db2.gz ONUSDCNMRHKQRC-HNNXBMFYSA-N 1 0 394.269 2.660 20 0 GFADRO COCC[N@@H+]1CCC[C@H]1COC(=O)c1cnn(C(C)(C)C)c1Br ZINC000861036712 662225022 /nfs/dbraw/zinc/22/50/22/662225022.db2.gz GEZIKBUZHUHJPT-LBPRGKRZSA-N 1 0 388.306 2.668 20 0 GFADRO COc1ccc(Br)c(CC(=O)OC[C@@]2(C)C[C@@H](OC)C[N@@H+]2C)c1 ZINC000861349237 662241673 /nfs/dbraw/zinc/24/16/73/662241673.db2.gz IVZAGDHFAXRUNF-RHSMWYFYSA-N 1 0 386.286 2.653 20 0 GFADRO C[NH+]1CCC(N(C[C@H](O)CC(C)(C)C)C(=O)[C@@H]2C[C@]2(C)Br)CC1 ZINC000861524305 662249026 /nfs/dbraw/zinc/24/90/26/662249026.db2.gz VJWWGTMVXIBVPS-VKJFTORMSA-N 1 0 389.378 2.880 20 0 GFADRO C[C@@H]([NH3+])CN(C)C(=O)C(=O)Nc1ccccc1SC[C@H]1CC1(Cl)Cl ZINC000861540484 662249459 /nfs/dbraw/zinc/24/94/59/662249459.db2.gz VSDPVJPFYWTFEY-GHMZBOCLSA-N 1 0 390.336 2.717 20 0 GFADRO C[C@H]([NH3+])CN(C)C(=O)C(=O)Nc1ccc(Br)c(Cl)c1Cl ZINC000861542191 662249504 /nfs/dbraw/zinc/24/95/04/662249504.db2.gz NETUNTSDBBBLDV-LURJTMIESA-N 1 0 383.073 2.500 20 0 GFADRO C[N@@H+]1C[C@H](C(=O)NCc2cnc(Br)s2)[C@@H](c2ccccc2)C1 ZINC000861550500 662249709 /nfs/dbraw/zinc/24/97/09/662249709.db2.gz LPTXWKYXZVXTMY-KGLIPLIRSA-N 1 0 380.311 2.867 20 0 GFADRO CC(C)(C(=O)NCC[NH+]1CCC(O)CC1)[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000861922554 662263639 /nfs/dbraw/zinc/26/36/39/662263639.db2.gz MVAGVKBDAWWSBD-MRXNPFEDSA-N 1 0 389.323 2.626 20 0 GFADRO O=C1OCCN1[C@@H]1CC[N@@H+](Cc2c[nH]nc2-c2ccc(Br)s2)C1 ZINC000862411415 662286372 /nfs/dbraw/zinc/28/63/72/662286372.db2.gz AKMPBNVQNWNXBH-LLVKDONJSA-N 1 0 397.298 2.927 20 0 GFADRO Cc1sc(Br)nc1C(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000862959057 662306616 /nfs/dbraw/zinc/30/66/16/662306616.db2.gz NQGMQZPENXACIM-UHFFFAOYSA-N 1 0 388.331 2.541 20 0 GFADRO COc1ccc(OC)c([C@@H](O)C[NH2+]Cc2cc(Br)cnc2OC)c1 ZINC000863573386 662336886 /nfs/dbraw/zinc/33/68/86/662336886.db2.gz OJXATXGCOGHOGF-HNNXBMFYSA-N 1 0 397.269 2.693 20 0 GFADRO C[C@H]1C[C@@H](C(=O)N2CC[C@@H](O)[C@H]2c2ccc(Br)cc2)CC[N@@H+]1C ZINC000863579092 662337695 /nfs/dbraw/zinc/33/76/95/662337695.db2.gz FDBGDVQAHUAORJ-GUDXXQAFSA-N 1 0 381.314 2.814 20 0 GFADRO C[C@@](O)(C[NH2+][C@@H]1CCN(C2CCC2)C1=O)c1ccc(Br)cc1F ZINC000863591220 662339979 /nfs/dbraw/zinc/33/99/79/662339979.db2.gz VXPGPLICOYMTDD-NVXWUHKLSA-N 1 0 385.277 2.539 20 0 GFADRO C[C@]1(Br)C[C@H]1c1nc(-c2ccc(N3CCC([NH3+])CC3)nc2)no1 ZINC000863656246 662342541 /nfs/dbraw/zinc/34/25/41/662342541.db2.gz LERDCNKKKNOJGZ-LRDDRELGSA-N 1 0 378.274 2.700 20 0 GFADRO F[C@H](c1nc(Cc2cc3c(cc2Br)OCO3)no1)[C@@H]1CC[NH2+]C1 ZINC000863666774 662342778 /nfs/dbraw/zinc/34/27/78/662342778.db2.gz HLJWCUXTQAVACA-CLAHSXSESA-N 1 0 384.205 2.772 20 0 GFADRO O=C(NCCCC[NH+]1CCOCC1)[C@@H]1[C@@H]2Cc3ccc(Br)cc3[C@@H]21 ZINC000864887076 662389685 /nfs/dbraw/zinc/38/96/85/662389685.db2.gz FCFISBCDZDGUBK-FGTMMUONSA-N 1 0 393.325 2.563 20 0 GFADRO COCCC[NH+]1CCC(NC(=O)c2cc(F)c(Br)cc2F)CC1 ZINC000865122942 662399918 /nfs/dbraw/zinc/39/99/18/662399918.db2.gz BZLXVKZTBLGUSO-UHFFFAOYSA-N 1 0 391.256 2.958 20 0 GFADRO FC(F)(F)c1ccnc(NCC[NH2+]Cc2cccnc2Br)n1 ZINC000865470347 662423332 /nfs/dbraw/zinc/42/33/32/662423332.db2.gz GBVFQOQBVOSRPY-UHFFFAOYSA-N 1 0 376.180 2.855 20 0 GFADRO COc1ncc(Br)cc1C[NH2+][C@H]1CCO[C@@H](c2nccn2C)C1 ZINC000865595540 662431384 /nfs/dbraw/zinc/43/13/84/662431384.db2.gz BVZDJAZJSJXMBC-UONOGXRCSA-N 1 0 381.274 2.596 20 0 GFADRO COc1ccc(Br)cc1C[C@H](CO)C[NH2+]Cc1cn(C2CC2)cn1 ZINC000865595087 662431397 /nfs/dbraw/zinc/43/13/97/662431397.db2.gz ZZRWQRMAVSQZFM-ZDUSSCGKSA-N 1 0 394.313 2.930 20 0 GFADRO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]CC[C@@H]1CCCS1 ZINC000865725637 662439259 /nfs/dbraw/zinc/43/92/59/662439259.db2.gz ATGAGRDUORFWHD-STQMWFEESA-N 1 0 377.963 2.580 20 0 GFADRO CNS(=O)(=O)c1ccc(CC[NH2+]Cc2ccc3nc(C)sc3c2)cc1 ZINC000865818315 662445610 /nfs/dbraw/zinc/44/56/10/662445610.db2.gz PHSCVBQASDJKIM-UHFFFAOYSA-N 1 0 375.519 2.845 20 0 GFADRO C[C@@H]1C[C@H](N(C)C(=O)c2ccc(I)cc2O)CC[N@@H+]1C ZINC000866050080 662458604 /nfs/dbraw/zinc/45/86/04/662458604.db2.gz VVLRWXCNYIFFLD-ZYHUDNBSSA-N 1 0 388.249 2.552 20 0 GFADRO CN1CC[NH+](C2CCN(C(=O)Nc3ccc(Br)cc3)CC2)CC1 ZINC000866153684 662461866 /nfs/dbraw/zinc/46/18/66/662461866.db2.gz JAMFMLLUDBAJFO-UHFFFAOYSA-N 1 0 381.318 2.693 20 0 GFADRO CN(CC[NH+]1CC2(C1)CCOCC2)c1ccnc2cc(Br)cnc21 ZINC000866256994 662465803 /nfs/dbraw/zinc/46/58/03/662465803.db2.gz DMJXZRAYQXYRED-UHFFFAOYSA-N 1 0 391.313 2.941 20 0 GFADRO CCC[N@H+](CC)CCNC(=O)c1cnn(C(C)C)c1I ZINC000866301810 662467363 /nfs/dbraw/zinc/46/73/63/662467363.db2.gz URIGFBDHQWDEGL-UHFFFAOYSA-N 1 0 392.285 2.530 20 0 GFADRO CCOC(=O)C(F)(F)[C@H]1CC[C@H]([NH2+]Cc2c(Br)cnn2C)C1 ZINC000866431177 662472603 /nfs/dbraw/zinc/47/26/03/662472603.db2.gz JTOWVCBBXYTTNT-UWVGGRQHSA-N 1 0 380.233 2.639 20 0 GFADRO CC[C@H]([NH2+][C@@H]1[C@H]2C[C@H]3CO[C@H]1[C@H]3C2)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000866446323 662473660 /nfs/dbraw/zinc/47/36/60/662473660.db2.gz UJUKDASIOBHXPX-MOSWPPPKSA-N 1 0 384.929 2.712 20 0 GFADRO COc1ccc(S(=O)(=O)N2CCC([NH2+]CC[C@H]3CCCS3)CC2)cc1 ZINC000866482155 662476060 /nfs/dbraw/zinc/47/60/60/662476060.db2.gz XZKQOFOMXCUDOM-QGZVFWFLSA-N 1 0 384.567 2.724 20 0 GFADRO CC(C)(C[NH2+][C@H](c1ccc(Br)s1)C1CC1)CS(N)(=O)=O ZINC000866573530 662481032 /nfs/dbraw/zinc/48/10/32/662481032.db2.gz XDTROWMATORWAQ-LBPRGKRZSA-N 1 0 381.361 2.866 20 0 GFADRO O=S(=O)(c1ccc(Cl)nc1F)N1CCC(C[NH+]2CCCCC2)CC1 ZINC000866597320 662482945 /nfs/dbraw/zinc/48/29/45/662482945.db2.gz QRUGSUQBJFDSAM-UHFFFAOYSA-N 1 0 375.897 2.761 20 0 GFADRO C/C(=C/c1ccc(Br)o1)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000866609449 662483917 /nfs/dbraw/zinc/48/39/17/662483917.db2.gz KLPYBARJJWPXKX-HCYCVZQXSA-N 1 0 383.286 2.815 20 0 GFADRO Cc1ccc(Br)c(CS(=O)(=O)N[C@H](C)[C@H]2CCC[NH2+]C2)c1 ZINC000866739214 662493466 /nfs/dbraw/zinc/49/34/66/662493466.db2.gz ZLDCZZKELBXKDD-OLZOCXBDSA-N 1 0 375.332 2.565 20 0 GFADRO O=S(=O)(c1ccc2ccnc(Cl)c2c1)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000866770143 662496284 /nfs/dbraw/zinc/49/62/84/662496284.db2.gz UZYMDJRZVZUOKX-GJZGRUSLSA-N 1 0 379.913 2.898 20 0 GFADRO O=S(=O)(c1ccc2ccnc(Cl)c2c1)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000866770146 662496295 /nfs/dbraw/zinc/49/62/95/662496295.db2.gz UZYMDJRZVZUOKX-HUUCEWRRSA-N 1 0 379.913 2.898 20 0 GFADRO O=S(=O)(c1ccc2onc(Cl)c2c1)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000866775663 662497201 /nfs/dbraw/zinc/49/72/01/662497201.db2.gz LFTSZJBDTUXJGT-ZDUSSCGKSA-N 1 0 383.901 2.882 20 0 GFADRO C[C@@H](NC(=O)c1cnn(CC[NH+](C)C)c1)[C@@H](O)c1c(Cl)cccc1Cl ZINC000866789886 662498946 /nfs/dbraw/zinc/49/89/46/662498946.db2.gz OSOSNLVXWAECEI-BDJLRTHQSA-N 1 0 385.295 2.603 20 0 GFADRO CN(C1CC[NH2+]CC1)S(=O)(=O)N1CCC(Cc2ccccc2Cl)CC1 ZINC000866809039 662500503 /nfs/dbraw/zinc/50/05/03/662500503.db2.gz FVGSPUQJUWXXBJ-UHFFFAOYSA-N 1 0 385.961 2.523 20 0 GFADRO COc1cc(C(F)(F)F)cc(S(=O)(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000866810333 662500765 /nfs/dbraw/zinc/50/07/65/662500765.db2.gz UGHPWDKGBQOLNE-LMKPVCQUSA-N 1 0 378.416 2.523 20 0 GFADRO C[NH+]1CCC2(CCCN2C(=O)c2cc(Br)cn3ccnc23)CC1 ZINC000867146834 662526936 /nfs/dbraw/zinc/52/69/36/662526936.db2.gz FGENCSTZSVBVAG-UHFFFAOYSA-N 1 0 377.286 2.797 20 0 GFADRO C[N@@H+]1CC[C@@]2(CCN(S(=O)(=O)c3oc4ccccc4c3Br)C2)C1 ZINC000867300702 662540195 /nfs/dbraw/zinc/54/01/95/662540195.db2.gz RQTBTIRYKBXRLD-MRXNPFEDSA-N 1 0 399.310 2.912 20 0 GFADRO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000867376453 662546244 /nfs/dbraw/zinc/54/62/44/662546244.db2.gz RNROUZLNXTVJAN-CZUORRHYSA-N 1 0 384.307 2.504 20 0 GFADRO C[N@@H+]1CC[C@H]2CN(S(=O)(=O)c3cccc(Cl)c3Br)CC[C@@H]21 ZINC000867809557 662578476 /nfs/dbraw/zinc/57/84/76/662578476.db2.gz SQVGKEIDWHHDAW-JQWIXIFHSA-N 1 0 393.734 2.817 20 0 GFADRO Cc1cc(Br)sc1S(=O)(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000867810854 662578682 /nfs/dbraw/zinc/57/86/82/662578682.db2.gz KCVVVNAQYGKRHX-GHMZBOCLSA-N 1 0 379.345 2.534 20 0 GFADRO COc1cc(Cl)c(S(=O)(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)cc1Cl ZINC000867812293 662579176 /nfs/dbraw/zinc/57/91/76/662579176.db2.gz JJNINDGNWIVGHF-GXFFZTMASA-N 1 0 379.309 2.717 20 0 GFADRO [NH3+][C@H](C(=O)NCc1ccc2c(c1)OCCCO2)c1cccc(Br)c1 ZINC000867946136 662588599 /nfs/dbraw/zinc/58/85/99/662588599.db2.gz CEVWRMXYPHSOEU-KRWDZBQOSA-N 1 0 391.265 2.927 20 0 GFADRO COCCOc1ccccc1CNC(=O)[C@@H]([NH3+])c1cccc(Br)c1 ZINC000867947751 662588633 /nfs/dbraw/zinc/58/86/33/662588633.db2.gz KBCLKARHGRQTKB-KRWDZBQOSA-N 1 0 393.281 2.791 20 0 GFADRO O=C(NCC1CC[NH2+]CC1)c1c(F)ccc(I)c1Cl ZINC000867965857 662589829 /nfs/dbraw/zinc/58/98/29/662589829.db2.gz HWLSLKDHBDZRHZ-UHFFFAOYSA-N 1 0 396.631 2.813 20 0 GFADRO Cc1cc2c(CC(=O)N3CCCC[C@H]3CNC(=O)CC[NH3+])csc2s1 ZINC000867972378 662590124 /nfs/dbraw/zinc/59/01/24/662590124.db2.gz YOOJWFFNDSFFQX-AWEZNQCLSA-N 1 0 379.551 2.660 20 0 GFADRO C[C@H](NC(=O)COc1ccc(Br)cc1Cl)C1CC[NH2+]CC1 ZINC000868008085 662591269 /nfs/dbraw/zinc/59/12/69/662591269.db2.gz BQWSFRMCABSDNV-JTQLQIEISA-N 1 0 375.694 2.986 20 0 GFADRO COC[C@@H](NC(=O)[C@@H](C[NH3+])c1ccccc1)c1cccc(Br)c1 ZINC000868023951 662591651 /nfs/dbraw/zinc/59/16/51/662591651.db2.gz CYYLCWSQXUSNCT-DLBZAZTESA-N 1 0 377.282 2.995 20 0 GFADRO [NH3+][C@H]1C[C@@H](CNC(=O)Nc2ccc(Cl)cc2I)C1 ZINC000868133696 662595673 /nfs/dbraw/zinc/59/56/73/662595673.db2.gz YALVLGWONFYLPJ-OTSSQURYSA-N 1 0 379.629 2.803 20 0 GFADRO Cc1cc(I)cc(NC(=O)N2CCC[C@@H]3[NH2+]CC[C@H]32)c1 ZINC000868157453 662596966 /nfs/dbraw/zinc/59/69/66/662596966.db2.gz DXPFLLQZYMTPAY-UONOGXRCSA-N 1 0 385.249 2.958 20 0 GFADRO C[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3[C@@H]4Cc5ccc(Br)cc5[C@@H]43)[C@@H]2C1 ZINC000868968182 662626223 /nfs/dbraw/zinc/62/62/23/662626223.db2.gz ZWWJDTBPJXLRJA-ARYPMIFLSA-N 1 0 375.310 2.887 20 0 GFADRO CN(C[C@@H](O)COc1cc(Cl)cc(Cl)c1)C(=O)C1CC[NH+](C)CC1 ZINC000869713790 662658739 /nfs/dbraw/zinc/65/87/39/662658739.db2.gz JXKGGHAPYYBHLX-OAHLLOKOSA-N 1 0 375.296 2.533 20 0 GFADRO CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)CCc2nc3cc(Cl)ccc3s2)C1 ZINC000869781446 662661974 /nfs/dbraw/zinc/66/19/74/662661974.db2.gz DFVPAEBUKPLULL-ZDUSSCGKSA-N 1 0 381.929 2.844 20 0 GFADRO [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)NC[C@H]2CCN(c3cccc(Br)c3)C2)C1 ZINC000870873692 662704159 /nfs/dbraw/zinc/70/41/59/662704159.db2.gz REDJDCAIXFGNOJ-ZFHGCVPZSA-N 1 0 378.314 2.519 20 0 GFADRO [NH3+][C@H](C(=O)Nc1cc(C2CCOCC2)[nH]n1)c1cccc(Br)c1 ZINC000870896817 662707190 /nfs/dbraw/zinc/70/71/90/662707190.db2.gz PQCIREUBILXGCC-HNNXBMFYSA-N 1 0 379.258 2.705 20 0 GFADRO [NH3+][C@H](C(=O)NC[C@H](CO)Cc1ccc(F)cc1)c1cccc(Br)c1 ZINC000870903481 662707474 /nfs/dbraw/zinc/70/74/74/662707474.db2.gz WHAJYLYATLWOKJ-DYVFJYSZSA-N 1 0 395.272 2.555 20 0 GFADRO COC(=O)C(C)(C)[C@H]1CCCN(C(=O)[C@@H]([NH3+])c2cccc(Br)c2)C1 ZINC000870911930 662707883 /nfs/dbraw/zinc/70/78/83/662707883.db2.gz UBASJNMYMKDFPW-ZFWWWQNUSA-N 1 0 397.313 2.887 20 0 GFADRO COc1cc(I)ccc1C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000870943307 662709771 /nfs/dbraw/zinc/70/97/71/662709771.db2.gz ZGUJCGOFEVRUPD-LLVKDONJSA-N 1 0 388.249 2.501 20 0 GFADRO O=C(c1cc(Br)cn2ccnc12)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000870951904 662711270 /nfs/dbraw/zinc/71/12/70/662711270.db2.gz XRGSDRBOYAJGDJ-CQSZACIVSA-N 1 0 391.313 2.949 20 0 GFADRO [NH3+][C@H]1C[C@@H](CNC(=O)[C@H]2CCCN(C(=O)c3ccc(Cl)c(Cl)c3)C2)C1 ZINC000870968509 662711679 /nfs/dbraw/zinc/71/16/79/662711679.db2.gz WJICWDBBOMNKKY-FPMFFAJLSA-N 1 0 384.307 2.699 20 0 GFADRO CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)c2sc3c(c2Br)CNC3)C1 ZINC000870987682 662712396 /nfs/dbraw/zinc/71/23/96/662712396.db2.gz AFPGVPMRMOBEMQ-INIZCTEOSA-N 1 0 386.359 2.951 20 0 GFADRO CCO[C@@H]1C[C@@]([NH3+])(C(=O)N[C@@H](COC)c2cccc(Br)c2)C1(C)C ZINC000871009365 662712632 /nfs/dbraw/zinc/71/26/32/662712632.db2.gz OSQZVOBOKDICOV-HDMKZQKVSA-N 1 0 399.329 2.785 20 0 GFADRO COc1cc(OC)c(NC(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)cc1Cl ZINC000871674258 662730776 /nfs/dbraw/zinc/73/07/76/662730776.db2.gz UVZSKEYMCYLFTL-RKDXNWHRSA-N 1 0 381.782 2.958 20 0 GFADRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)C[C@@H]1C(F)(F)F ZINC000871811713 662734956 /nfs/dbraw/zinc/73/49/56/662734956.db2.gz RAYXZLZRLVPRAS-APPZFPTMSA-N 1 0 377.215 2.751 20 0 GFADRO [NH3+]C[C@@H]1CN(S(=O)(=O)Cc2cccc(C(F)(F)F)c2)C[C@H]1C(F)(F)F ZINC000871812914 662735115 /nfs/dbraw/zinc/73/51/15/662735115.db2.gz DTOQIUFDHBRRAH-ZYHUDNBSSA-N 1 0 390.349 2.604 20 0 GFADRO C[C@@H]1CN(CC[NH2+][C@@H](c2cccc(Br)c2)[C@@H]2CCOC2)CCO1 ZINC000872035821 662754484 /nfs/dbraw/zinc/75/44/84/662754484.db2.gz ZBOOAHVBBUCAFA-KYJSFNMBSA-N 1 0 383.330 2.837 20 0 GFADRO CCS(=O)(=O)C[C@H](C)[NH2+][C@H](c1cccc(Br)c1)[C@H]1CCOC1 ZINC000872046216 662754612 /nfs/dbraw/zinc/75/46/12/662754612.db2.gz VMRPWERUEWPDQS-DUVNUKRYSA-N 1 0 390.343 2.940 20 0 GFADRO O=S(=O)(NCC[NH2+][C@H]1CCOC2(CCCC2)C1)c1ccc(Cl)s1 ZINC000872052542 662754863 /nfs/dbraw/zinc/75/48/63/662754863.db2.gz OOHXVAZZSUYRJJ-LBPRGKRZSA-N 1 0 378.947 2.761 20 0 GFADRO Cn1nccc1[C@H](CO)[NH2+][C@H](c1cccc(Br)c1)[C@@H]1CCOC1 ZINC000872089108 662755724 /nfs/dbraw/zinc/75/57/24/662755724.db2.gz ZBUDVHJORLQRMZ-UKPHBRMFSA-N 1 0 380.286 2.583 20 0 GFADRO COc1ccc(Cl)cc1NC(=O)CCN1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000872147759 662756655 /nfs/dbraw/zinc/75/66/55/662756655.db2.gz DKMDWAVNIBSONG-ZYHUDNBSSA-N 1 0 379.810 2.746 20 0 GFADRO [NH3+]C[C@@H]1CN([C@@H]2CCN(c3ccc(Cl)cc3F)C2=O)C[C@H]1C(F)(F)F ZINC000872150537 662756848 /nfs/dbraw/zinc/75/68/48/662756848.db2.gz WWXJGKRSAZGAOD-GLXFQSAKSA-N 1 0 379.785 2.653 20 0 GFADRO O[C@H](C[NH2+][C@@H]1CCOc2c(Cl)c(Cl)ccc21)CC1(O)CCOCC1 ZINC000872206976 662757710 /nfs/dbraw/zinc/75/77/10/662757710.db2.gz FPWLBPPEPFFHDA-SMDDNHRTSA-N 1 0 376.280 2.699 20 0 GFADRO O[C@H](C[NH2+][C@H]1CCOc2c(Cl)c(Cl)ccc21)CC1(O)CCOCC1 ZINC000872206974 662757828 /nfs/dbraw/zinc/75/78/28/662757828.db2.gz FPWLBPPEPFFHDA-FZMZJTMJSA-N 1 0 376.280 2.699 20 0 GFADRO COC(=O)[C@]12C[C@H]1C[C@H]([NH2+]CCC(=O)Nc1ccc(Br)cc1)C2 ZINC000872230443 662758446 /nfs/dbraw/zinc/75/84/46/662758446.db2.gz YMENEOIQBQTQOA-WHCBVINPSA-N 1 0 381.270 2.709 20 0 GFADRO O[C@H](C[NH2+]C[C@H]1CC2(CO1)CCOCC2)COc1c(Cl)cccc1Cl ZINC000872232220 662758665 /nfs/dbraw/zinc/75/86/65/662758665.db2.gz XKHXRDFYIYBAKP-ZIAGYGMSSA-N 1 0 390.307 2.908 20 0 GFADRO COC[C@@H]([NH2+]C[C@@H](O)COCc1ccco1)c1cccc(Br)c1 ZINC000872236565 662758801 /nfs/dbraw/zinc/75/88/01/662758801.db2.gz RRDPVNYLWUAFOT-NVXWUHKLSA-N 1 0 384.270 2.897 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(S(=O)(=O)N=[S@@](C)(=O)C(C)(C)C)C1 ZINC000872449874 662768010 /nfs/dbraw/zinc/76/80/10/662768010.db2.gz UDIDTBYXRUPDPF-YPCHGGDPSA-N 1 0 393.619 2.714 20 0 GFADRO C[C@H](CN1CCCC1=O)[NH2+]Cc1cccc(F)c1I ZINC000873017309 662796430 /nfs/dbraw/zinc/79/64/30/662796430.db2.gz ZKTMKTUMJYDLNQ-SNVBAGLBSA-N 1 0 376.213 2.531 20 0 GFADRO Cc1sc(C[NH2+]C[C@@H]2CCC[C@@]23NC(=O)N(C)C3=O)cc1Br ZINC000873068903 662798415 /nfs/dbraw/zinc/79/84/15/662798415.db2.gz CLBRPUVHASCRAF-ZUZCIYMTSA-N 1 0 386.315 2.629 20 0 GFADRO Fc1cccc(C[NH2+][C@@H]2CCO[C@@]3(CCOC3)C2)c1I ZINC000873100288 662799654 /nfs/dbraw/zinc/79/96/54/662799654.db2.gz NURDHOVWRUNFBP-DOMZBBRYSA-N 1 0 391.224 2.858 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)Nc2ccc(Cl)cc2Cl)C[C@H]1C(F)(F)F ZINC000873103550 662799823 /nfs/dbraw/zinc/79/98/23/662799823.db2.gz FYUUTIZRXDLZFD-VXNVDRBHSA-N 1 0 384.185 2.528 20 0 GFADRO COCC[C@]1([NH2+]Cc2cccc(F)c2I)CCOC1 ZINC000873115060 662800370 /nfs/dbraw/zinc/80/03/70/662800370.db2.gz FDFXQRJUHBAVLD-AWEZNQCLSA-N 1 0 379.213 2.716 20 0 GFADRO Cc1nnc(CC[NH2+]Cc2cccc(F)c2I)s1 ZINC000873127508 662800686 /nfs/dbraw/zinc/80/06/86/662800686.db2.gz PEKLKUIQJOLTON-UHFFFAOYSA-N 1 0 377.226 2.923 20 0 GFADRO COc1ccc(C[C@](C)(CO)[NH2+]Cc2cncc(Br)c2)cc1OC ZINC000873192208 662803743 /nfs/dbraw/zinc/80/37/43/662803743.db2.gz ALOXLOBDCKCALZ-GOSISDBHSA-N 1 0 395.297 2.945 20 0 GFADRO Nc1cnc(C[NH+]2CCC(C(=O)Nc3ccc(Br)cc3)CC2)cn1 ZINC000873207498 662803960 /nfs/dbraw/zinc/80/39/60/662803960.db2.gz DXHZUVREEBWLPX-UHFFFAOYSA-N 1 0 390.285 2.672 20 0 GFADRO C[C@]12C[NH2+]C[C@H]1CN(C(=O)Nc1cc(Br)ccc1-n1cccn1)C2 ZINC000873308607 662805114 /nfs/dbraw/zinc/80/51/14/662805114.db2.gz FMQAFCPLTORBGV-YVEFUNNKSA-N 1 0 390.285 2.708 20 0 GFADRO COc1c(Cl)cc(NC(=O)C(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3C)cc1Cl ZINC000874364623 662830247 /nfs/dbraw/zinc/83/02/47/662830247.db2.gz MRCZJNAMIJFQTE-ZIAGYGMSSA-N 1 0 386.279 2.636 20 0 GFADRO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)c1cnn(-c2ccccc2)c1Br ZINC000874834065 662837770 /nfs/dbraw/zinc/83/77/70/662837770.db2.gz OURLXIPPSXABQP-JKSUJKDBSA-N 1 0 389.297 2.944 20 0 GFADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@H]2C(=O)Oc2ccc(Br)cc2F)cn1 ZINC000875023106 662840984 /nfs/dbraw/zinc/84/09/84/662840984.db2.gz HVXRMSPRIZYUMY-KGLIPLIRSA-N 1 0 396.260 2.963 20 0 GFADRO C[NH+]1CCC(n2cc(NC(=O)N[C@@H]3CC[C@H]4SCCS[C@@H]34)cn2)CC1 ZINC000875434984 662845904 /nfs/dbraw/zinc/84/59/04/662845904.db2.gz NRYVHTRJGNISLS-OAGGEKHMSA-N 1 0 381.571 2.651 20 0 GFADRO Cc1cnc(NC(=O)[C@@H]2CC[N@@H+](C)C[C@H]2c2cnn(C)c2)c(Br)c1 ZINC000875493340 662846871 /nfs/dbraw/zinc/84/68/71/662846871.db2.gz DQCHKMJEHVOAFG-KGLIPLIRSA-N 1 0 392.301 2.560 20 0 GFADRO Cc1c(Br)ccnc1NC(=O)[C@H]1CC[N@@H+](C)C[C@H]1c1cnn(C)c1 ZINC000875791775 662852146 /nfs/dbraw/zinc/85/21/46/662852146.db2.gz PBVDFYPFGPSRDO-KBPBESRZSA-N 1 0 392.301 2.560 20 0 GFADRO C[N@H+]1CC=C(CNC(=O)N[C@@H]2[C@H]3Cc4ccc(Br)cc4[C@@H]23)CC1 ZINC000876267020 662858639 /nfs/dbraw/zinc/85/86/39/662858639.db2.gz YVTQGYFUWRTYII-GVDBMIGSSA-N 1 0 376.298 2.648 20 0 GFADRO C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)NCCC(=O)Nc1cc(Br)ccc1C ZINC000876636436 662864051 /nfs/dbraw/zinc/86/40/51/662864051.db2.gz YGMDQRFVJVZGOA-PRXHZCDDSA-N 1 0 394.313 2.614 20 0 GFADRO [NH3+][C@H]1CC[C@@H](C(=O)NC[C@H]2CCN(c3ccc(Br)cc3)C2)CC1 ZINC000876733438 662865489 /nfs/dbraw/zinc/86/54/89/662865489.db2.gz XXLULGVOUCFLNZ-FMKPAKJESA-N 1 0 380.330 2.909 20 0 GFADRO COc1ccc([C@@H](C[NH2+]C[C@@H]2CC2(Cl)Cl)N2CCOCC2)cc1OC ZINC000876898086 662867909 /nfs/dbraw/zinc/86/79/09/662867909.db2.gz ZHGOTEYKSWDYCJ-LSDHHAIUSA-N 1 0 389.323 2.861 20 0 GFADRO C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)NCc1nc(-c2cccc(Br)c2)no1 ZINC000876910708 662867991 /nfs/dbraw/zinc/86/79/91/662867991.db2.gz JVYORFSNJBCPBD-FGXQHOCZSA-N 1 0 391.269 2.527 20 0 GFADRO O=C(NCc1cc(Cl)cc(I)c1)[C@@H](F)[C@@H]1CC[NH2+]C1 ZINC000876931336 662868370 /nfs/dbraw/zinc/86/83/70/662868370.db2.gz LULNLDMFXNOSID-SKDRFNHKSA-N 1 0 396.631 2.508 20 0 GFADRO O=C(NCc1cc(Cl)ccc1I)[C@H](F)[C@H]1CC[NH2+]C1 ZINC000876959797 662868754 /nfs/dbraw/zinc/86/87/54/662868754.db2.gz PDVPKOJCQKKSNV-QPUJVOFHSA-N 1 0 396.631 2.508 20 0 GFADRO CC(C)(C)S(=O)(=O)CC[NH2+]Cc1ccc(I)s1 ZINC000877036103 662869921 /nfs/dbraw/zinc/86/99/21/662869921.db2.gz NKRFEUYVFLKEOM-UHFFFAOYSA-N 1 0 387.308 2.656 20 0 GFADRO Cn1cc(N2CCC[C@H]([NH2+]Cc3nc(Cl)ccc3Br)C2)cn1 ZINC000877069959 662870724 /nfs/dbraw/zinc/87/07/24/662870724.db2.gz RKWAIVWOSRBLGY-NSHDSACASA-N 1 0 384.709 2.990 20 0 GFADRO Cn1cc([C@@H](O)C[NH2+][C@H]2CCN(C)[C@H](c3ccc(Br)cc3)C2)cn1 ZINC000877071669 662870775 /nfs/dbraw/zinc/87/07/75/662870775.db2.gz BEXXORUYEQHHIP-BZSNNMDCSA-N 1 0 393.329 2.641 20 0 GFADRO OC[C@H](C[NH2+]Cc1ccc(Cl)nn1)Cc1ccc(OC(F)(F)F)cc1 ZINC000877091502 662870947 /nfs/dbraw/zinc/87/09/47/662870947.db2.gz JVAURGDHGKHPHL-LBPRGKRZSA-N 1 0 375.778 2.969 20 0 GFADRO C[C@@H]([NH3+])CN(C)C(=O)c1ccccc1Sc1ccc(S(C)(=O)=O)cc1 ZINC000877101768 662871102 /nfs/dbraw/zinc/87/11/02/662871102.db2.gz RAYQSWITIBXGIQ-CYBMUJFWSA-N 1 0 378.519 2.661 20 0 GFADRO C[C@@H](Cc1cc(Br)ccc1F)[NH2+]CC1CCS(=O)(=O)CC1 ZINC000877117891 662871321 /nfs/dbraw/zinc/87/13/21/662871321.db2.gz BVVGTSDZPIKMQV-NSHDSACASA-N 1 0 378.307 2.934 20 0 GFADRO [NH3+]CC12CCC(CC1)N2C(=O)c1cn(-c2ccc(Br)cc2)cn1 ZINC000877187332 662872088 /nfs/dbraw/zinc/87/20/88/662872088.db2.gz NCIQKKWVNTXBJJ-UHFFFAOYSA-N 1 0 375.270 2.731 20 0 GFADRO [NH3+]CC12CCC(CC1)N2C(=O)c1cc(F)c(F)cc1I ZINC000877189507 662872096 /nfs/dbraw/zinc/87/20/96/662872096.db2.gz OZZQYXJENHNYPY-UHFFFAOYSA-N 1 0 392.187 2.665 20 0 GFADRO COc1cc(Br)ccc1NC(=O)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000877204776 662872193 /nfs/dbraw/zinc/87/21/93/662872193.db2.gz NXNFQKKIVWLPKN-CYBMUJFWSA-N 1 0 379.258 2.831 20 0 GFADRO C[C@@H](NC(=O)c1cnn(-c2ccccc2)c1Br)C1CC[NH2+]CC1 ZINC000877254041 662872550 /nfs/dbraw/zinc/87/25/50/662872550.db2.gz LHIJSFOAKLZOJY-GFCCVEGCSA-N 1 0 377.286 2.753 20 0 GFADRO CC(C)(C)[C@@]1(C[NH3+])CCN(C(=O)c2sccc2S(=O)(=O)C(F)F)C1 ZINC000877257693 662872617 /nfs/dbraw/zinc/87/26/17/662872617.db2.gz FQGBJFBRBZZDTR-OAHLLOKOSA-N 1 0 380.482 2.582 20 0 GFADRO CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)c2ccc(Cl)c(NS(C)(=O)=O)c2)C1 ZINC000877258549 662872619 /nfs/dbraw/zinc/87/26/19/662872619.db2.gz OSUJUVSIVGVILP-KRWDZBQOSA-N 1 0 387.933 2.549 20 0 GFADRO CCOc1c(Br)cc(C(=O)N2CCC[C@H]3[NH2+]CC[C@H]32)cc1OC ZINC000877288412 662873273 /nfs/dbraw/zinc/87/32/73/662873273.db2.gz OBIWIFSSHCDTHG-ZIAGYGMSSA-N 1 0 383.286 2.823 20 0 GFADRO CN[C@H](C(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1)c1cccc(Cl)c1Cl ZINC000877357368 662874299 /nfs/dbraw/zinc/87/42/99/662874299.db2.gz SCNCVJUIDGBHRY-FWDPORAESA-N 1 0 384.229 2.850 20 0 GFADRO Cc1cccc(CC(=O)N2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)c1Br ZINC000877356542 662874303 /nfs/dbraw/zinc/87/43/03/662874303.db2.gz SHUHRZMZBVKNQM-NWDGAFQWSA-N 1 0 379.220 2.896 20 0 GFADRO COc1ccc(Br)c(CC(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)c1 ZINC000877359079 662874415 /nfs/dbraw/zinc/87/44/15/662874415.db2.gz QWWZJWKWGAOSOZ-ZYHUDNBSSA-N 1 0 395.219 2.596 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)c2c(F)cc(Br)cc2F)C[C@@H]1C(F)(F)F ZINC000877367344 662874827 /nfs/dbraw/zinc/87/48/27/662874827.db2.gz LPYROPIKKQUASD-XPUUQOCRSA-N 1 0 387.146 2.937 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)COc2ccc(F)cc2Br)C[C@@H]1C(F)(F)F ZINC000877369128 662874905 /nfs/dbraw/zinc/87/49/05/662874905.db2.gz XSKYNRNTUIHSQC-SCZZXKLOSA-N 1 0 399.182 2.563 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)Cc2ccc(F)c(Br)c2)C[C@@H]1C(F)(F)F ZINC000877369758 662874930 /nfs/dbraw/zinc/87/49/30/662874930.db2.gz XRFSNEWEGCERRA-ZJUUUORDSA-N 1 0 383.183 2.726 20 0 GFADRO O=C(N[C@@]12CCC[C@H]1[NH2+]CC2)c1cc(F)c(F)cc1I ZINC000877394825 662875373 /nfs/dbraw/zinc/87/53/73/662875373.db2.gz URXNYXVXNNQRDD-TZMCWYRMSA-N 1 0 392.187 2.584 20 0 GFADRO CS(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H]2CCCCC23CC[NH2+]CC3)c1 ZINC000877405600 662875611 /nfs/dbraw/zinc/87/56/11/662875611.db2.gz KCLDZZNSRGILDQ-INIZCTEOSA-N 1 0 384.929 2.786 20 0 GFADRO CS(=O)(=O)c1cc(C(=O)N[C@H]2CCCCC23CC[NH2+]CC3)ccc1Cl ZINC000877406289 662875636 /nfs/dbraw/zinc/87/56/36/662875636.db2.gz TUFILWHXSYARFX-INIZCTEOSA-N 1 0 384.929 2.786 20 0 GFADRO [NH3+][C@@H](C[C@H]1CCCN(C(=O)Cn2cc(Br)cn2)C1)C1CCCC1 ZINC000877447944 662876092 /nfs/dbraw/zinc/87/60/92/662876092.db2.gz OJFXSOXQSGTMBJ-CJNGLKHVSA-N 1 0 383.334 2.792 20 0 GFADRO O=S1(=O)CCCN1[C@H]1CCC[N@@H+](Cc2cc3nc(Cl)ccc3s2)C1 ZINC000877485126 662877051 /nfs/dbraw/zinc/87/70/51/662877051.db2.gz LGSJKMPVHWCEKC-LBPRGKRZSA-N 1 0 385.942 2.950 20 0 GFADRO CCOC(=O)N1CCC(C)(C[NH2+]Cc2ccc(S(=O)(=O)CC)s2)CC1 ZINC000877486041 662877082 /nfs/dbraw/zinc/87/70/82/662877082.db2.gz CNUZTDRETLCKSP-UHFFFAOYSA-N 1 0 388.555 2.890 20 0 GFADRO C[C@@]1(C[C@@H]2CCC[N@@H+]2Cc2cc3nc(Cl)ccc3s2)NC(=O)NC1=O ZINC000877518960 662877828 /nfs/dbraw/zinc/87/78/28/662877828.db2.gz VRYRYFAPGJPKIG-BTDLBPIBSA-N 1 0 378.885 2.902 20 0 GFADRO Cc1sc(C[N@@H+]2CCC[C@H]2C[C@@]2(C)NC(=O)NC2=O)cc1Br ZINC000877519750 662877920 /nfs/dbraw/zinc/87/79/20/662877920.db2.gz YWQIORVZZBTGSJ-ZUZCIYMTSA-N 1 0 386.315 2.772 20 0 GFADRO O[C@@H](CC[NH2+]Cc1cccc(F)c1I)C(F)(F)F ZINC000877526572 662878124 /nfs/dbraw/zinc/87/81/24/662878124.db2.gz KKWMFHBKYFVIEN-VIFPVBQESA-N 1 0 377.119 2.833 20 0 GFADRO COC(=O)N(C)CC[NH2+][C@@H]1CCN(C)[C@@H](c2ccc(Br)cc2)C1 ZINC000877633432 662880468 /nfs/dbraw/zinc/88/04/68/662880468.db2.gz KXSDNIIISSXHEA-HZPDHXFCSA-N 1 0 384.318 2.872 20 0 GFADRO C[C@@H](CN(C)C(=O)OC(C)(C)C)[NH2+]Cc1cnn2cc(Br)cnc12 ZINC000877641117 662880660 /nfs/dbraw/zinc/88/06/60/662880660.db2.gz MIYGDBQKJZGTFH-NSHDSACASA-N 1 0 398.305 2.837 20 0 GFADRO CCO[P@](C)(=O)CC[C@@H](C)[NH2+]C[C@H]1COCCN1C(=O)OC(C)(C)C ZINC000877655853 662880915 /nfs/dbraw/zinc/88/09/15/662880915.db2.gz MZDNEDKEEKPHNM-XESHVACXSA-N 1 0 378.450 2.935 20 0 GFADRO CON(C)C(=O)[C@@H](C)[NH2+][C@H]1CCN(C)[C@@H](c2ccc(Br)cc2)C1 ZINC000877659788 662881087 /nfs/dbraw/zinc/88/10/87/662881087.db2.gz CKQMILAJIADXIQ-UHOFOFEASA-N 1 0 384.318 2.582 20 0 GFADRO C[C@@]12C[NH+](Cc3nc4ccc(Br)cc4s3)C[C@@]1(C)C(=O)NC2=O ZINC000877668594 662881219 /nfs/dbraw/zinc/88/12/19/662881219.db2.gz RZDHVDUPUKOQCA-HOTGVXAUSA-N 1 0 394.294 2.543 20 0 GFADRO CCOc1cc(C[NH2+][C@@H]2C[C@H]3C[C@@]3(C(=O)OC)C2)cc(Br)c1O ZINC000877725141 662882492 /nfs/dbraw/zinc/88/24/92/662882492.db2.gz SEWWSZCDYNIXAC-XWCIJXRUSA-N 1 0 384.270 2.985 20 0 GFADRO CCO[P@](C)(=O)CC[C@@H](C)[NH2+]Cc1c(I)cnn1C ZINC000877775697 662883379 /nfs/dbraw/zinc/88/33/79/662883379.db2.gz ZGNNDZZRWJEZPM-DGIBIBHMSA-N 1 0 399.213 2.837 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(C(=O)Nc3ccccc3I)CC[C@@H]21 ZINC000877909392 662885689 /nfs/dbraw/zinc/88/56/89/662885689.db2.gz HBQAJHGHFXYWDB-RISCZKNCSA-N 1 0 385.249 2.849 20 0 GFADRO Brc1ccc(N2CC[NH+](C[C@@H]3CC4(CO3)CCOCC4)CC2)nc1 ZINC000877930799 662886258 /nfs/dbraw/zinc/88/62/58/662886258.db2.gz UHQVQZUWXAGHNE-INIZCTEOSA-N 1 0 396.329 2.552 20 0 GFADRO Cn1nc(Br)cc1NC(=O)Nc1ccccc1N1CC[NH+](C)CC1 ZINC000878080766 662889408 /nfs/dbraw/zinc/88/94/08/662889408.db2.gz PWUZWKSYZNSLAK-UHFFFAOYSA-N 1 0 393.289 2.578 20 0 GFADRO COc1ccc(C2([NH2+]C[C@@H](O)c3cc(Br)no3)CCOCC2)cc1 ZINC000878240706 662892285 /nfs/dbraw/zinc/89/22/85/662892285.db2.gz WCNHTQNVXZXRJV-CQSZACIVSA-N 1 0 397.269 2.775 20 0 GFADRO CC(C)[C@@H]([NH2+]C[C@@H](O)c1cc(Br)no1)c1nnc2ccccn21 ZINC000878376133 662894865 /nfs/dbraw/zinc/89/48/65/662894865.db2.gz WDZVPNLFCJVXMX-QMTHXVAHSA-N 1 0 380.246 2.500 20 0 GFADRO Brc1ncn(CC[N@@H+]2CCC[C@H](Cn3cnc4ccccc43)C2)n1 ZINC000878448992 662896649 /nfs/dbraw/zinc/89/66/49/662896649.db2.gz MECQXARAULWPNC-AWEZNQCLSA-N 1 0 389.301 2.803 20 0 GFADRO Cn1ncc(Br)c1CC(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000878496792 662897450 /nfs/dbraw/zinc/89/74/50/662897450.db2.gz JTASXHPVSTYDET-UHFFFAOYSA-N 1 0 397.361 2.886 20 0 GFADRO CC[N@@H+]1CC[C@@H]1CNC(=O)Nc1cc(C(=O)OC)c(F)cc1Br ZINC000878794351 662905712 /nfs/dbraw/zinc/90/57/12/662905712.db2.gz AVNHNAYFEXXPRQ-SECBINFHSA-N 1 0 388.237 2.591 20 0 GFADRO COC(=O)NC1CC[NH+](C[C@@H](O)COc2cc(Cl)cc(Cl)c2)CC1 ZINC000879006670 662912825 /nfs/dbraw/zinc/91/28/25/662912825.db2.gz YWVZBXAHSMCVDJ-CQSZACIVSA-N 1 0 377.268 2.554 20 0 GFADRO Cn1nc2c(c1C(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C)CSCC2 ZINC000879058887 662915073 /nfs/dbraw/zinc/91/50/73/662915073.db2.gz XBWLFEMQHYVHKI-MRXNPFEDSA-N 1 0 378.929 2.896 20 0 GFADRO CC(C)[NH+]1CCC(O)(CNC(=O)c2ccc(OC(F)F)c(Cl)c2)CC1 ZINC000879162311 662918927 /nfs/dbraw/zinc/91/89/27/662918927.db2.gz INBIFYQATHPZAT-UHFFFAOYSA-N 1 0 376.831 2.907 20 0 GFADRO O=C(Nc1cccc(Br)n1)N1CCC([NH2+]C2CCOCC2)CC1 ZINC000879204019 662920627 /nfs/dbraw/zinc/92/06/27/662920627.db2.gz ZBGBXMATSZWTFL-UHFFFAOYSA-N 1 0 383.290 2.609 20 0 GFADRO O=C(Nc1ncc(C(F)(F)F)s1)N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000879346928 662923695 /nfs/dbraw/zinc/92/36/95/662923695.db2.gz MIWPQEUKRGCNEP-LLVKDONJSA-N 1 0 378.420 2.927 20 0 GFADRO NC(=O)[C@H](C1CC1)[N@H+](CCC(=O)Nc1ccccc1Br)CC1CC1 ZINC000879487231 662927005 /nfs/dbraw/zinc/92/70/05/662927005.db2.gz ANGXQGFRDODKRR-KRWDZBQOSA-N 1 0 394.313 2.754 20 0 GFADRO COCC[N@H+](CCC(=O)Nc1ccccc1Br)C1CCOCC1 ZINC000879710058 662937725 /nfs/dbraw/zinc/93/77/25/662937725.db2.gz OIOCGJUGFVZVKG-UHFFFAOYSA-N 1 0 385.302 2.905 20 0 GFADRO C[N@@H+]1CCN(CCNC(=O)c2ccc(OC(F)F)c(Cl)c2)CC1(C)C ZINC000879869416 662941085 /nfs/dbraw/zinc/94/10/85/662941085.db2.gz NUAATUYIHJTWEQ-UHFFFAOYSA-N 1 0 375.847 2.697 20 0 GFADRO Cc1ccccc1[C@@H]([C@H](C)NC(=O)Cc1c(Br)cnn1C)[NH+](C)C ZINC000879901386 662941842 /nfs/dbraw/zinc/94/18/42/662941842.db2.gz OMJUHOUIGQNOOY-SCLBCKFNSA-N 1 0 393.329 2.841 20 0 GFADRO O=C(Nc1nn(CC(F)(F)F)cc1Cl)N1CCC([NH+]2CC=CC2)CC1 ZINC000879918643 662942110 /nfs/dbraw/zinc/94/21/10/662942110.db2.gz BOTDQPMYGAVJKG-UHFFFAOYSA-N 1 0 377.798 2.967 20 0 GFADRO CC[NH+](CC)[C@@H](CNC(=O)Nc1cn(C)nc1Br)c1ccco1 ZINC000880043730 662946820 /nfs/dbraw/zinc/94/68/20/662946820.db2.gz QNOHSFGNIAOADR-LBPRGKRZSA-N 1 0 384.278 2.980 20 0 GFADRO C[C@@H]1[C@H](NC(=O)Nc2cn(C)nc2Br)CC[N@@H+]1Cc1ccccc1 ZINC000880061292 662949217 /nfs/dbraw/zinc/94/92/17/662949217.db2.gz ZMXPPVBKNHNQLF-TZMCWYRMSA-N 1 0 392.301 2.967 20 0 GFADRO C[C@H](NC(=O)CN1CC[C@@H]2[C@@H]1CCC[N@@H+]2C)c1ccc(Br)cc1 ZINC000880129068 662952144 /nfs/dbraw/zinc/95/21/44/662952144.db2.gz CJHDOKLWVFQEFH-XKQJLSEDSA-N 1 0 380.330 2.795 20 0 GFADRO O=C(CN1CCC[C@H]([NH2+]C2CCOCC2)C1)Nc1ccccc1Br ZINC000880206499 662954578 /nfs/dbraw/zinc/95/45/78/662954578.db2.gz BHMIEWDATCYWNF-HNNXBMFYSA-N 1 0 396.329 2.621 20 0 GFADRO O=c1cc(C[N@@H+]2CC[C@H](c3nccs3)C2)nc2ccc(Br)cn12 ZINC000880316316 662957886 /nfs/dbraw/zinc/95/78/86/662957886.db2.gz BUVICWQXSOTWMI-NSHDSACASA-N 1 0 391.294 2.903 20 0 GFADRO O=c1cc(C[NH2+][C@@H]2CCC[C@]23CCCO3)nc2ccc(Br)cn12 ZINC000880507589 662961131 /nfs/dbraw/zinc/96/11/31/662961131.db2.gz OPEFMGNPIXFMAU-PBHICJAKSA-N 1 0 378.270 2.648 20 0 GFADRO O[C@@H](COc1ccc(Cl)cc1Br)CN1CCc2ncncc2C1 ZINC000880594822 662963693 /nfs/dbraw/zinc/96/36/93/662963693.db2.gz HHHLZSWFFHHTSC-CYBMUJFWSA-N 1 0 398.688 2.691 20 0 GFADRO COc1cc(Br)ccc1NC(=O)NCC[NH+]1CCC(OC)CC1 ZINC000880633088 662966204 /nfs/dbraw/zinc/96/62/04/662966204.db2.gz XHKLBYAKPSNTFN-UHFFFAOYSA-N 1 0 386.290 2.690 20 0 GFADRO CC(C)(O)C[NH+]1CCN(C(=O)N[C@@H](c2cccc(Cl)c2)C(F)F)CC1 ZINC000881224272 662985700 /nfs/dbraw/zinc/98/57/00/662985700.db2.gz ZMQYNXXUNDJCPQ-AWEZNQCLSA-N 1 0 375.847 2.744 20 0 GFADRO C[C@](O)(Cn1cc([C@H]2CCC[NH2+]C2)nn1)c1ccc(Br)cc1F ZINC000881424273 662993818 /nfs/dbraw/zinc/99/38/18/662993818.db2.gz LWULAVIBPFCAKS-ZBEGNZNMSA-N 1 0 383.265 2.554 20 0 GFADRO O=C(c1ccc(Br)cc1O)N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000881472274 662995336 /nfs/dbraw/zinc/99/53/36/662995336.db2.gz NWWOUDQWFSBCSH-CQSZACIVSA-N 1 0 383.286 2.528 20 0 GFADRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(c2ccc3nnc(Br)n3n2)C1 ZINC000881821848 663004763 /nfs/dbraw/zinc/00/47/63/663004763.db2.gz OZESJNAYIJCDIY-FRRDWIJNSA-N 1 0 379.306 2.728 20 0 GFADRO C[NH+](C)[C@H](CNc1ccc2nnc(Br)n2n1)c1ccc(F)cc1 ZINC000881828926 663004955 /nfs/dbraw/zinc/00/49/55/663004955.db2.gz OLKPMIBCZLIAMZ-GFCCVEGCSA-N 1 0 379.237 2.741 20 0 GFADRO CC(C)[NH2+][C@H]1CCCN(c2cnn(CC(F)(F)F)c(=O)c2Br)C1 ZINC000881875165 663007481 /nfs/dbraw/zinc/00/74/81/663007481.db2.gz SEWXTLQEIRBXFE-JTQLQIEISA-N 1 0 397.239 2.535 20 0 GFADRO N=[S@](=O)(c1ccc(N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)cc1)C(F)(F)F ZINC000881915149 663009640 /nfs/dbraw/zinc/00/96/40/663009640.db2.gz JAPKCLBXULIBBV-XGZNKIABSA-N 1 0 377.432 2.647 20 0 GFADRO C[NH+](C)C[C@@H]1CN(S(=O)(=O)CC[C@H]2CC2(Cl)Cl)c2ccccc2O1 ZINC000881992971 663012624 /nfs/dbraw/zinc/01/26/24/663012624.db2.gz WQLUTIDQVGBSCC-QWHCGFSZSA-N 1 0 393.336 2.729 20 0 GFADRO C[NH+](C)CC1CCN(S(=O)(=O)c2cnc(Cl)cc2C(F)(F)F)CC1 ZINC000882028959 663014041 /nfs/dbraw/zinc/01/40/41/663014041.db2.gz ARGYHCWLOKSULM-UHFFFAOYSA-N 1 0 385.839 2.716 20 0 GFADRO C[C@@H]1CN(S(=O)(=O)C[C@@]2(C)CC2(Cl)Cl)CCN1c1cc[nH+]cc1 ZINC000882619842 663033512 /nfs/dbraw/zinc/03/35/12/663033512.db2.gz WDLQNSLKSKHINN-TZMCWYRMSA-N 1 0 378.325 2.506 20 0 GFADRO CN(CCCC[NH+]1CCCCC1)S(=O)(=O)c1cccc(Br)n1 ZINC000882797909 663042467 /nfs/dbraw/zinc/04/24/67/663042467.db2.gz GDHVGWXKEZVIFU-UHFFFAOYSA-N 1 0 390.347 2.731 20 0 GFADRO COC[C@H]([NH2+]CC(=O)Nc1ccc(Br)cc1C)[C@H]1CCCOC1 ZINC000883200877 663051230 /nfs/dbraw/zinc/05/12/30/663051230.db2.gz SSXUALBFHIHOLG-BBRMVZONSA-N 1 0 385.302 2.727 20 0 GFADRO O=C(NCc1ccc(Br)cc1)N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000883347744 663053722 /nfs/dbraw/zinc/05/37/22/663053722.db2.gz YDVRKQSTRHSAFW-KRWDZBQOSA-N 1 0 396.329 2.892 20 0 GFADRO Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH2+][C@H]1C[C@H](S(C)(=O)=O)C1 ZINC000883378820 663054441 /nfs/dbraw/zinc/05/44/41/663054441.db2.gz AMPSTLFNTUSNJU-WKILWMFISA-N 1 0 381.929 2.867 20 0 GFADRO COc1cc(NC(=O)N2CCc3sc(C[NH3+])nc3C2)c(OC)cc1Cl ZINC000883523734 663056693 /nfs/dbraw/zinc/05/66/93/663056693.db2.gz BZSHEPAOHMNTKJ-UHFFFAOYSA-N 1 0 382.873 2.863 20 0 GFADRO C[NH2+][C@@H]1CCN(C(=O)Cc2csc(-c3sccc3Br)n2)C1 ZINC000884008929 663063806 /nfs/dbraw/zinc/06/38/06/663063806.db2.gz GHPJAYJFBONVPN-SECBINFHSA-N 1 0 386.340 2.997 20 0 GFADRO CCOC(=O)Cc1csc(NC(=O)[C@H]([NH3+])c2ccc(Br)cc2)n1 ZINC000884046107 663064275 /nfs/dbraw/zinc/06/42/75/663064275.db2.gz SPNVECDMGJCNFZ-CYBMUJFWSA-N 1 0 398.282 2.650 20 0 GFADRO COCCOc1ccccc1CNC(=O)[C@H]([NH3+])c1ccc(Br)cc1 ZINC000884099828 663065108 /nfs/dbraw/zinc/06/51/08/663065108.db2.gz ZWUNGNJIHGXKKA-QGZVFWFLSA-N 1 0 393.281 2.791 20 0 GFADRO C[NH2+][C@@H](CC(C)C)C(=O)Nc1cc(C(F)(F)F)ccc1NS(C)(=O)=O ZINC000884125655 663065533 /nfs/dbraw/zinc/06/55/33/663065533.db2.gz DVFYMTDUQDVOGS-ZDUSSCGKSA-N 1 0 381.420 2.650 20 0 GFADRO CS(=O)(=O)CC[C@H]([NH3+])C(=O)N[C@@H](c1cccc(Cl)c1)C1CCCCC1 ZINC000884161842 663066247 /nfs/dbraw/zinc/06/62/47/663066247.db2.gz OAEAUJOECFPBCC-DLBZAZTESA-N 1 0 386.945 2.840 20 0 GFADRO Cc1csc(C[C@H]2CCCN(C(=O)NC[C@@]3([NH+](C)C)CCSC3)C2)n1 ZINC000884196951 663066920 /nfs/dbraw/zinc/06/69/20/663066920.db2.gz GPCUXMMLGRQCKJ-QAPCUYQASA-N 1 0 382.599 2.853 20 0 GFADRO [NH3+][C@H](C(=O)NCc1nccn1CC(F)(F)F)c1ccc(Br)cc1 ZINC000884212038 663067066 /nfs/dbraw/zinc/06/70/66/663067066.db2.gz UYKRNBLQKSXDLM-LBPRGKRZSA-N 1 0 391.191 2.524 20 0 GFADRO C[C@H]1[NH2+]CCN(C(=O)c2cc(Br)nn2-c2ncccc2Cl)[C@H]1C ZINC000884271520 663067954 /nfs/dbraw/zinc/06/79/54/663067954.db2.gz GGBYLMHTUKUXEF-ZJUUUORDSA-N 1 0 398.692 2.506 20 0 GFADRO O=C(c1ccc(OC(F)F)c(Br)c1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000884293365 663068341 /nfs/dbraw/zinc/06/83/41/663068341.db2.gz BICAQRBPUMZTQH-PWSUYJOCSA-N 1 0 375.213 2.875 20 0 GFADRO O=C(N[C@@H]1C[NH2+]CCC1(F)F)c1ccc(OC(F)F)c(Br)c1 ZINC000884298687 663068474 /nfs/dbraw/zinc/06/84/74/663068474.db2.gz AVVPGWHQQNKLCT-SNVBAGLBSA-N 1 0 385.155 2.778 20 0 GFADRO CN(C(=O)[C@@H]([NH3+])CCS(C)(=O)=O)[C@@H](c1ccc(Cl)cc1)C1CCCC1 ZINC000884317695 663068846 /nfs/dbraw/zinc/06/88/46/663068846.db2.gz AHXVDSDWDRDYMZ-DLBZAZTESA-N 1 0 386.945 2.792 20 0 GFADRO [NH3+][C@@H]1CCCC[C@H]1NC(=O)c1cc(Br)nn1-c1ncccc1Cl ZINC000884369743 663069699 /nfs/dbraw/zinc/06/96/99/663069699.db2.gz OEWDKFSCHBNFTJ-GHMZBOCLSA-N 1 0 398.692 2.683 20 0 GFADRO COc1cccc([C@H](CNC(=O)[C@H]([NH3+])c2ccc(Br)cc2)OC)c1 ZINC000884428178 663070622 /nfs/dbraw/zinc/07/06/22/663070622.db2.gz VCCTXMRFBOFGSO-DLBZAZTESA-N 1 0 393.281 2.961 20 0 GFADRO Cc1csc(C[C@H]2CCCN(CN3C(=O)C[C@]4(CCSC4)C3=O)C2)n1 ZINC000884473412 663071114 /nfs/dbraw/zinc/07/11/14/663071114.db2.gz WJPBQHIXUSSRNE-KDOFPFPSSA-N 1 0 379.551 2.546 20 0 GFADRO O=c1c(Br)nn(C[N@@H+]2CC[C@@H]([C@H]3CCCO3)C2)c2ccccc12 ZINC000884481022 663071295 /nfs/dbraw/zinc/07/12/95/663071295.db2.gz FEZQSOYBCWUXTO-IUODEOHRSA-N 1 0 378.270 2.617 20 0 GFADRO CCC1([NH3+])CCN(C(=O)C(=O)N[C@H](C)Cc2ccc(Cl)cc2Cl)CC1 ZINC000884543501 663072360 /nfs/dbraw/zinc/07/23/60/663072360.db2.gz GNCUGWZEMQZGTF-GFCCVEGCSA-N 1 0 386.323 2.771 20 0 GFADRO CCC1([NH+]2CCC2)CCN(c2ncnc3c2c(Br)nn3C)CC1 ZINC000884719007 663073982 /nfs/dbraw/zinc/07/39/82/663073982.db2.gz WCONTNLEGOPDGC-UHFFFAOYSA-N 1 0 379.306 2.581 20 0 GFADRO Cc1cc(Br)c(S(=O)(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)s1 ZINC000884953139 663079345 /nfs/dbraw/zinc/07/93/45/663079345.db2.gz USIURZSJKRHTCD-MNOVXSKESA-N 1 0 379.345 2.724 20 0 GFADRO Cc1ccc(Br)c(CS(=O)(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000884960457 663079899 /nfs/dbraw/zinc/07/98/99/663079899.db2.gz VWGMAQXKIGNSRB-LSDHHAIUSA-N 1 0 387.343 2.804 20 0 GFADRO C[NH2+]CCC1CCN(C(=O)C(=O)NCCc2ccc(Cl)c(Cl)c2)CC1 ZINC000885249249 663087394 /nfs/dbraw/zinc/08/73/94/663087394.db2.gz NITVWPABCKGTCS-UHFFFAOYSA-N 1 0 386.323 2.500 20 0 GFADRO O=C(NC[C@H]1CC[N@@H+]1C1CCOCC1)c1c[nH]c2ccc(Br)cc12 ZINC000885860721 663099363 /nfs/dbraw/zinc/09/93/63/663099363.db2.gz LVRQNUMEOVVEHT-CQSZACIVSA-N 1 0 392.297 2.914 20 0 GFADRO O=C(C[C@H](O)c1cc(Cl)cc(Cl)c1)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000885876448 663099979 /nfs/dbraw/zinc/09/99/79/663099979.db2.gz RAHHSHYXSVCHRP-IRXDYDNUSA-N 1 0 387.307 2.786 20 0 GFADRO O=C(NC[C@H]1CC[N@@H+]1C1CCOCC1)c1cc(C(F)(F)F)cnc1Cl ZINC000885880500 663100187 /nfs/dbraw/zinc/10/01/87/663100187.db2.gz RTVJITWRRNXUOI-GFCCVEGCSA-N 1 0 377.794 2.737 20 0 GFADRO Cc1n[nH]c(C[NH2+]CCc2ccc(S(=O)(=O)N3CCCCC3)s2)c1C ZINC000886002158 663102572 /nfs/dbraw/zinc/10/25/72/663102572.db2.gz RPVRJGTZZBXVOV-UHFFFAOYSA-N 1 0 382.555 2.595 20 0 GFADRO Cc1n[nH]c(C[NH2+]Cc2ccc(Br)cc2N2CCOCC2)c1C ZINC000886025039 663102581 /nfs/dbraw/zinc/10/25/81/663102581.db2.gz CJLIHSZJZVJDMW-UHFFFAOYSA-N 1 0 379.302 2.915 20 0 GFADRO O[C@@H]1CC[C@H]([NH2+]Cc2c[nH]nc2-c2ccc(Br)s2)CC[C@@H]1O ZINC000886262743 663106525 /nfs/dbraw/zinc/10/65/25/663106525.db2.gz ZLEPGIFXHMNFIX-ZSBIGDGJSA-N 1 0 386.315 2.655 20 0 GFADRO C[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+]Cc1cc(Br)cc(C(F)(F)F)c1 ZINC000886294658 663107612 /nfs/dbraw/zinc/10/76/12/663107612.db2.gz FFHWJVZIOKYUCI-PELKAZGASA-N 1 0 386.233 2.991 20 0 GFADRO OC[C@@]1(C(F)(F)F)CC[N@H+](C[C@@H](O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000886793202 663118706 /nfs/dbraw/zinc/11/87/06/663118706.db2.gz DFIRCDIFNQYRNC-QMTHXVAHSA-N 1 0 388.213 2.980 20 0 GFADRO OC[C@]1(C(F)(F)F)CC[N@H+](C[C@@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000886793589 663118815 /nfs/dbraw/zinc/11/88/15/663118815.db2.gz OWSCNJHHPIDQTM-RISCZKNCSA-N 1 0 388.213 2.980 20 0 GFADRO OC[C@]1(C(F)(F)F)CC[N@H+](C[C@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000886793317 663118940 /nfs/dbraw/zinc/11/89/40/663118940.db2.gz HAMLNOUNXNMRQR-HZMBPMFUSA-N 1 0 388.213 2.980 20 0 GFADRO Cc1cc(Cl)cc(C)c1S(=O)(=O)N1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000886886276 663123479 /nfs/dbraw/zinc/12/34/79/663123479.db2.gz BZSSNEXZCXGAJQ-DLBZAZTESA-N 1 0 386.945 2.864 20 0 GFADRO O=S(=O)(NC[C@H]1C[NH2+]CCC1(F)F)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000886895399 663123844 /nfs/dbraw/zinc/12/38/44/663123844.db2.gz MPMCLMKPPFHWTO-MRVPVSSYSA-N 1 0 392.777 2.882 20 0 GFADRO O=S(=O)(c1cscc1Br)N1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886901105 663124179 /nfs/dbraw/zinc/12/41/79/663124179.db2.gz PUOJXPQCNYUKON-ZDUSSCGKSA-N 1 0 379.345 2.665 20 0 GFADRO Cn1c(Cl)cnc1-c1csc(NC(=O)NC[C@H]2C[NH2+]CCC2(F)F)n1 ZINC000886971489 663126811 /nfs/dbraw/zinc/12/68/11/663126811.db2.gz WPUJTOIORZDMBV-MRVPVSSYSA-N 1 0 390.847 2.563 20 0 GFADRO [NH3+]C1CCC(NC(=O)C(=O)Nc2cc(Br)c3ccccc3c2)CC1 ZINC000886982108 663127132 /nfs/dbraw/zinc/12/71/32/663127132.db2.gz GEJUXQOOARVUAZ-UHFFFAOYSA-N 1 0 390.281 2.927 20 0 GFADRO [NH3+][C@@H]1CCCN(Cc2cn(Cc3cc(Cl)ccc3Br)nn2)C1 ZINC000887446824 663146763 /nfs/dbraw/zinc/14/67/63/663146763.db2.gz LHDXNNHIVCUOKX-CYBMUJFWSA-N 1 0 384.709 2.665 20 0 GFADRO C[C@H](Cc1nc(-c2cn(C[C@H]3CCC[NH2+]3)nn2)cs1)n1cc(Cl)cn1 ZINC000887446666 663146787 /nfs/dbraw/zinc/14/67/87/663146787.db2.gz HVRFUWWCGHGCRM-DGCLKSJQSA-N 1 0 377.905 2.807 20 0 GFADRO C[C@H](CNC(=O)Nc1cc(Br)ccc1N1CCOCC1)C[NH+](C)C ZINC000887670038 663157427 /nfs/dbraw/zinc/15/74/27/663157427.db2.gz JYNDZCBFIDBREJ-CYBMUJFWSA-N 1 0 399.333 2.605 20 0 GFADRO C[N@@H+]1C[C@@H]2CN(C(=O)c3cc(=O)c4cc(Br)ccc4o3)C[C@]2(C)C1 ZINC000887924456 663170299 /nfs/dbraw/zinc/17/02/99/663170299.db2.gz LOSNKVQXXDXIRR-ZMZPIMSZSA-N 1 0 391.265 2.579 20 0 GFADRO Cn1cc(C(=O)Nc2cccc(C[NH+]3CCSCC3)c2)c(Br)n1 ZINC000888580284 663205859 /nfs/dbraw/zinc/20/58/59/663205859.db2.gz ZROSBNYZQWAXBV-UHFFFAOYSA-N 1 0 395.326 2.984 20 0 GFADRO Cc1c2cc(C(=O)N3CCN(C)CC[N@@H+](C)CC3)[nH]c2ccc1Br ZINC000888980609 663228279 /nfs/dbraw/zinc/22/82/79/663228279.db2.gz IVNQJWXUTFJKFI-UHFFFAOYSA-N 1 0 393.329 2.558 20 0 GFADRO COc1cc(/C=C\C(=O)N2CCC23CC[NH+](C)CC3)cc(Br)c1O ZINC000889226211 663237816 /nfs/dbraw/zinc/23/78/16/663237816.db2.gz XRDFGYHYSSSWIB-ARJAWSKDSA-N 1 0 395.297 2.873 20 0 GFADRO Cc1ccc(F)c(Br)c1C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000889337805 663241505 /nfs/dbraw/zinc/24/15/05/663241505.db2.gz HSBJERYWGBTHIN-UHFFFAOYSA-N 1 0 385.277 2.833 20 0 GFADRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1cn(C)nc1Br ZINC000889362474 663242404 /nfs/dbraw/zinc/24/24/04/663242404.db2.gz LCVNEKFMKLRVGF-CZUORRHYSA-N 1 0 391.313 2.823 20 0 GFADRO CC[NH+](CC)[C@H](C(=O)NCc1ncc(Br)cn1)c1ccccc1 ZINC000889717880 663259421 /nfs/dbraw/zinc/25/94/21/663259421.db2.gz WSSVIVSGLXPFGT-INIZCTEOSA-N 1 0 377.286 2.938 20 0 GFADRO O=C(c1cc(Br)cc2[nH]c(=O)[nH]c21)N1CCC([NH2+]C2CCC2)CC1 ZINC000889824936 663270555 /nfs/dbraw/zinc/27/05/55/663270555.db2.gz WVAAVEHLXLWPDC-UHFFFAOYSA-N 1 0 393.285 2.778 20 0 GFADRO Cc1ccc(F)c(Br)c1C(=O)N[C@H](C)CC[NH+]1CCN(C)CC1 ZINC000890009959 663280547 /nfs/dbraw/zinc/28/05/47/663280547.db2.gz UZGNGMZDNQKYHC-CYBMUJFWSA-N 1 0 386.309 2.652 20 0 GFADRO C[C@H](NC(=O)NC[C@@]1(O)CC[N@H+](C)C1)c1cccc(SC(F)(F)F)c1 ZINC000891218253 663330443 /nfs/dbraw/zinc/33/04/43/663330443.db2.gz YYDTYMGTIRSEQS-NHYWBVRUSA-N 1 0 377.432 2.725 20 0 GFADRO O=C(NCC(F)(F)C1(O)CCCCC1)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000891353829 663337023 /nfs/dbraw/zinc/33/70/23/663337023.db2.gz KDKQRQGEQUCBHY-HNNXBMFYSA-N 1 0 376.513 2.651 20 0 GFADRO C[C@@]1(Br)C[C@@H]1C[NH+]1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000891543097 663343339 /nfs/dbraw/zinc/34/33/39/663343339.db2.gz NCNGLGDXVIBUJQ-BXUZGUMPSA-N 1 0 393.372 2.664 20 0 GFADRO O=C(NCCc1ccc(Br)cc1)NC[C@H]1C[NH2+]CCC1(F)F ZINC000891570333 663344126 /nfs/dbraw/zinc/34/41/26/663344126.db2.gz VFGQHFBLBTYPKK-GFCCVEGCSA-N 1 0 376.245 2.536 20 0 GFADRO CC(C)(C)c1nc(CCNC(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)cs1 ZINC000891731378 663348939 /nfs/dbraw/zinc/34/89/39/663348939.db2.gz QPSABONGRYTPKF-ZYHUDNBSSA-N 1 0 378.464 2.762 20 0 GFADRO Cc1cc(Br)cn2cc(CNC(=O)N3C4CCC3(C[NH3+])CC4)nc12 ZINC000891791910 663350768 /nfs/dbraw/zinc/35/07/68/663350768.db2.gz SFGGCBHCDSVAKA-UHFFFAOYSA-N 1 0 392.301 2.571 20 0 GFADRO O=C(NCc1cc2cc(Br)ccc2[nH]1)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000891803340 663350965 /nfs/dbraw/zinc/35/09/65/663350965.db2.gz KLIMJGTZNDNKOR-HZPDHXFCSA-N 1 0 377.286 2.966 20 0 GFADRO C[C@H]1C[C@@H](C(=O)Nc2nn(CC(F)(F)F)cc2Br)CC[N@@H+]1C ZINC000891903249 663354852 /nfs/dbraw/zinc/35/48/52/663354852.db2.gz BIGBEZPWOHNYTG-IUCAKERBSA-N 1 0 383.212 2.877 20 0 GFADRO [NH3+]CCC1CCN(C(=O)N[C@@H]2[C@@H]3Cc4c(cccc4Br)[C@@H]32)CC1 ZINC000892322012 663369146 /nfs/dbraw/zinc/36/91/46/663369146.db2.gz HFSAOBSPVCQBQG-HYVNUMGLSA-N 1 0 378.314 2.858 20 0 GFADRO CC1(C)C[NH2+]CC[C@@H](NC(=O)NC[C@H](O)c2ccccc2Br)C1 ZINC000892482612 663375221 /nfs/dbraw/zinc/37/52/21/663375221.db2.gz ZFXQCTFLGKLEQR-DOMZBBRYSA-N 1 0 384.318 2.560 20 0 GFADRO [NH3+][C@H]1CCCO[C@H]1C1CCN(C(=O)NCCSCCC(F)(F)F)CC1 ZINC000892542564 663376862 /nfs/dbraw/zinc/37/68/62/663376862.db2.gz PZAMLSJLYIBORB-KBPBESRZSA-N 1 0 383.480 2.600 20 0 GFADRO O=C(NCc1ccc(Br)cn1)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000892616703 663378824 /nfs/dbraw/zinc/37/88/24/663378824.db2.gz QBLGVGAQPRTHJL-AWEZNQCLSA-N 1 0 381.318 2.765 20 0 GFADRO C[C@H]([NH2+]C[C@H]1C[C@@]1(C)Br)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000892631125 663379345 /nfs/dbraw/zinc/37/93/45/663379345.db2.gz DHOFGMQIZLFJQR-NJZAAPMLSA-N 1 0 375.332 2.761 20 0 GFADRO O[C@H](C[NH2+][C@H]1CCC2(C[C@H]1F)OCCO2)COc1cccc(Cl)c1Cl ZINC000892680403 663380780 /nfs/dbraw/zinc/38/07/80/663380780.db2.gz YKFUZKJNJGSGKU-BNOWGMLFSA-N 1 0 394.270 2.956 20 0 GFADRO COc1cc(C(=O)N[C@]2(C)C[NH+]3CCC2CC3)cc(Br)c1OC ZINC000892771846 663384349 /nfs/dbraw/zinc/38/43/49/663384349.db2.gz VWBNLIBPYMLABR-QGZVFWFLSA-N 1 0 383.286 2.680 20 0 GFADRO COc1cc(Br)c(C(=O)N[C@@]2(C)C[NH+]3CCC2CC3)cc1OC ZINC000892772451 663384379 /nfs/dbraw/zinc/38/43/79/663384379.db2.gz ZOYKNVCCGDKRDS-KRWDZBQOSA-N 1 0 383.286 2.680 20 0 GFADRO CN(Cc1ccc(Br)cc1)C(=O)N1CCc2sc(C[NH3+])nc2C1 ZINC000892884907 663388089 /nfs/dbraw/zinc/38/80/89/663388089.db2.gz MKULAFOLWHCVHF-UHFFFAOYSA-N 1 0 395.326 2.974 20 0 GFADRO C[C@H]1CCC[C@@H](CC[NH+](C)C)N1C(=O)c1nccn2c(Br)cnc12 ZINC000893013677 663393088 /nfs/dbraw/zinc/39/30/88/663393088.db2.gz LMSOONHETWKLMU-STQMWFEESA-N 1 0 394.317 2.827 20 0 GFADRO C[C@@H]1CCC[C@H](CC[NH+](C)C)N1C(=O)Cc1cc[nH]c(=O)c1Br ZINC000893015412 663393175 /nfs/dbraw/zinc/39/31/75/663393175.db2.gz RHQRGRKVKHMOAR-TZMCWYRMSA-N 1 0 384.318 2.814 20 0 GFADRO O=S(=O)(C[C@@H](O)C[NH2+]Cc1ccc(C(F)F)c(F)c1)c1cccs1 ZINC000893181233 663400214 /nfs/dbraw/zinc/40/02/14/663400214.db2.gz KNVWSTQPRAGCHV-NSHDSACASA-N 1 0 379.425 2.749 20 0 GFADRO O=C(C[NH2+][C@@H]1CCC2(C[C@@H]1F)OCCO2)Nc1ccc(Br)cc1 ZINC000893319228 663407190 /nfs/dbraw/zinc/40/71/90/663407190.db2.gz QWPCITPZJOTJDU-UONOGXRCSA-N 1 0 387.249 2.611 20 0 GFADRO O=S1(=O)CCCN1c1cccc(CNCc2csc(C(F)(F)F)n2)c1 ZINC000893613272 663417157 /nfs/dbraw/zinc/41/71/57/663417157.db2.gz IDAQXMNLZUMVOL-UHFFFAOYSA-N 1 0 391.440 2.992 20 0 GFADRO Cn1cc(CNc2ccc(C[NH+](C)C)c(F)c2)c(I)n1 ZINC000894132328 663444532 /nfs/dbraw/zinc/44/45/32/663444532.db2.gz XLOMUUXVXGJPDS-UHFFFAOYSA-N 1 0 388.228 2.838 20 0 GFADRO CC(=O)Nc1cccc([C@H](C)NCc2cn(C)nc2I)c1 ZINC000894166362 663446391 /nfs/dbraw/zinc/44/63/91/663446391.db2.gz XPXPCDBZOGFSGO-JTQLQIEISA-N 1 0 398.248 2.834 20 0 GFADRO Cn1cc(C[NH2+]C[C@H]2CCN(c3ccccc3)C2)c(I)n1 ZINC000894171820 663446754 /nfs/dbraw/zinc/44/67/54/663446754.db2.gz BCTIWTUAIZDOMC-CYBMUJFWSA-N 1 0 396.276 2.641 20 0 GFADRO Cn1nc(Br)nc1C[NH2+]C[C@H]1CCN(c2ccc(Cl)cc2)C1 ZINC000894211455 663449197 /nfs/dbraw/zinc/44/91/97/663449197.db2.gz QJTUSKSNTCKUAK-LLVKDONJSA-N 1 0 384.709 2.847 20 0 GFADRO COC(=O)c1cc(C[NH2+]C[C@@H](O)c2cc(Cl)c3c(c2)OCCO3)cs1 ZINC000894279873 663452304 /nfs/dbraw/zinc/45/23/04/663452304.db2.gz CPZRSWBSLKMUPM-CYBMUJFWSA-N 1 0 383.853 2.783 20 0 GFADRO Cn1nc(Br)nc1CNC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000894288820 663452580 /nfs/dbraw/zinc/45/25/80/663452580.db2.gz XRJKCYORHVALGU-BXUZGUMPSA-N 1 0 384.347 2.812 20 0 GFADRO CC(C)[C@H](C[NH2+]Cc1cn(C)nc1I)c1cccnc1 ZINC000894324781 663454688 /nfs/dbraw/zinc/45/46/88/663454688.db2.gz BVOHBTKPJOUCML-AWEZNQCLSA-N 1 0 384.265 2.949 20 0 GFADRO CC(=O)Nc1cc(Br)ccc1CN(CC[NH+](C)C)C[C@@H]1CCCO1 ZINC000894457098 663462895 /nfs/dbraw/zinc/46/28/95/663462895.db2.gz XUXCBWGYQATTTA-KRWDZBQOSA-N 1 0 398.345 2.950 20 0 GFADRO CCO[C@@H](C[NH2+]Cc1c(I)cnn1C)c1ccccc1 ZINC000894575808 663469790 /nfs/dbraw/zinc/46/97/90/663469790.db2.gz LLQMVSZGHJSZBW-HNNXBMFYSA-N 1 0 385.249 2.892 20 0 GFADRO C[C@H](NC(=O)NCc1ncc(Br)cn1)[C@@H](c1ccccc1)[NH+](C)C ZINC000894749659 663479308 /nfs/dbraw/zinc/47/93/08/663479308.db2.gz BFDAXRHJPYNTAG-LRDDRELGSA-N 1 0 392.301 2.730 20 0 GFADRO Cc1ncc(I)c(Nc2cnn(C3CC[NH+](C)CC3)c2)n1 ZINC000894922640 663488466 /nfs/dbraw/zinc/48/84/66/663488466.db2.gz CLBHTFSMUQAPAC-UHFFFAOYSA-N 1 0 398.252 2.596 20 0 GFADRO C[C@@H](CCCc1cccnc1)[NH2+]Cc1cn(C)nc1I ZINC000894982501 663493032 /nfs/dbraw/zinc/49/30/32/663493032.db2.gz CXTTVVHZXWQCRD-LBPRGKRZSA-N 1 0 384.265 2.921 20 0 GFADRO C[C@H](Cc1cn(C)c2ccc(F)cc12)[NH2+]Cc1nc(Br)nn1C ZINC000895017285 663495441 /nfs/dbraw/zinc/49/54/41/663495441.db2.gz UYSGOBPSYXWVDE-SNVBAGLBSA-N 1 0 380.265 2.929 20 0 GFADRO COc1ccc(C(=O)N2CCN(c3cc[nH+]cc3)C[C@H]2C)nc1Br ZINC000895267108 663505865 /nfs/dbraw/zinc/50/58/65/663505865.db2.gz FFZYEBZEILFDIU-GFCCVEGCSA-N 1 0 391.269 2.599 20 0 GFADRO Cc1ccc(C(=O)N2CCN(c3cc[nH+]cc3)C[C@@H]2C)c(Br)n1 ZINC000895267928 663506188 /nfs/dbraw/zinc/50/61/88/663506188.db2.gz JGAHGIYYPRAEIA-ZDUSSCGKSA-N 1 0 375.270 2.898 20 0 GFADRO CCOC(=O)[C@@H]1CC[C@H]([NH2+]CC[S@@](=O)CC(F)(F)F)C[C@H]1C(F)(F)F ZINC000895312966 663507558 /nfs/dbraw/zinc/50/75/58/663507558.db2.gz AVEDRMPMQBWMLC-JAENBVKLSA-N 1 0 397.381 2.797 20 0 GFADRO CN1CC[C@H]([NH2+][C@@H]2C(=O)NCC2(C)C)C[C@H]1c1ccc(Br)cc1 ZINC000895323093 663508281 /nfs/dbraw/zinc/50/82/81/663508281.db2.gz YIIGRGCWAUYTDG-HRCADAONSA-N 1 0 380.330 2.699 20 0 GFADRO CC(C)(C)OC(=O)N[C@@H](CC(F)F)C[N@@H+]1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000895444234 663514423 /nfs/dbraw/zinc/51/44/23/663514423.db2.gz LLKCPTUAORYPLR-GARJFASQSA-N 1 0 376.366 2.638 20 0 GFADRO Brc1cnc2c(C[NH2+]C[C@H]3CCC4(CCOCC4)CO3)cnn2c1 ZINC000895537892 663518209 /nfs/dbraw/zinc/51/82/09/663518209.db2.gz WQQVTPZYKVMBOU-OAHLLOKOSA-N 1 0 395.301 2.557 20 0 GFADRO CCOC(=O)c1ncc(C[NH2+]C[C@H](C)c2ccc(S(C)(=O)=O)cc2)s1 ZINC000895832687 663529359 /nfs/dbraw/zinc/52/93/59/663529359.db2.gz HHJQPECHVKXJCA-LBPRGKRZSA-N 1 0 382.507 2.617 20 0 GFADRO C[NH+](C)CC[C@H](Nc1ncc(I)cn1)c1cccnc1 ZINC000895890821 663532327 /nfs/dbraw/zinc/53/23/27/663532327.db2.gz MWOWGHVAHPOEIJ-ZDUSSCGKSA-N 1 0 383.237 2.581 20 0 GFADRO Cc1ccc([C@@H](CNC(=O)c2nn3c(c2Br)CCC3)[NH+](C)C)cc1 ZINC000895937866 663534335 /nfs/dbraw/zinc/53/43/35/663534335.db2.gz TVZFFGJBOXJEJQ-OAHLLOKOSA-N 1 0 391.313 2.933 20 0 GFADRO CCN(CCC(=O)NC)C(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000896011345 663537203 /nfs/dbraw/zinc/53/72/03/663537203.db2.gz MWFUAAWBMYDULK-OAHLLOKOSA-N 1 0 389.327 2.764 20 0 GFADRO C[NH+](C)C[C@H](NC(=O)N1CC[C@@H](O)[C@H](F)C1)c1ccc(Cl)c(Cl)c1 ZINC000896009567 663537275 /nfs/dbraw/zinc/53/72/75/663537275.db2.gz CDZZAVGTQDYNHN-QLFBSQMISA-N 1 0 378.275 2.710 20 0 GFADRO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)c1nn2c(c1Br)CCC2 ZINC000896023209 663537933 /nfs/dbraw/zinc/53/79/33/663537933.db2.gz GJLYKKNUBCJMQB-ZDUSSCGKSA-N 1 0 383.334 2.976 20 0 GFADRO FC(F)(F)[C@H]1CC[C@H](C[NH2+]Cc2cnn3cc(Br)cnc23)O1 ZINC000896280772 663548854 /nfs/dbraw/zinc/54/88/54/663548854.db2.gz SDYAMWPUMXQMDV-GHMZBOCLSA-N 1 0 379.180 2.691 20 0 GFADRO Cn1cc(C[NH2+]C[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)c(Br)n1 ZINC000896283040 663549056 /nfs/dbraw/zinc/54/90/56/663549056.db2.gz ZNMWBDYPSVUFNQ-MRXNPFEDSA-N 1 0 387.322 2.919 20 0 GFADRO Cc1cc(Br)cc2c(C(=O)N[C@@H](C)[C@H]3C[N@H+](C)CCN3C)coc21 ZINC000896547529 663563159 /nfs/dbraw/zinc/56/31/59/663563159.db2.gz GOKDROLJUKOGSP-BLLLJJGKSA-N 1 0 394.313 2.868 20 0 GFADRO C[C@@H](NC(=O)CCc1nc2cc(Cl)ccc2s1)[C@H]1C[N@H+](C)CCN1C ZINC000896560175 663564145 /nfs/dbraw/zinc/56/41/45/663564145.db2.gz MOXAJNNBLRTEKX-IUODEOHRSA-N 1 0 380.945 2.633 20 0 GFADRO C[C@@H](NC(=O)c1csc(-c2ccc(Cl)cc2)n1)[C@@H]1C[N@H+](C)CCN1C ZINC000896575745 663565371 /nfs/dbraw/zinc/56/53/71/663565371.db2.gz BWGGMVXHFLTSRR-WBMJQRKESA-N 1 0 378.929 2.828 20 0 GFADRO C[C@H](NC(=O)c1csc(-c2ccc(Cl)cc2)n1)[C@@H]1C[N@H+](C)CCN1C ZINC000896575743 663565604 /nfs/dbraw/zinc/56/56/04/663565604.db2.gz BWGGMVXHFLTSRR-LRDDRELGSA-N 1 0 378.929 2.828 20 0 GFADRO COC(=O)c1ccc(C[NH2+]CC(C)(C)CS(C)(=O)=O)c(C(F)(F)F)c1 ZINC000896869369 663580174 /nfs/dbraw/zinc/58/01/74/663580174.db2.gz ZROWIWXSBUNEBQ-UHFFFAOYSA-N 1 0 381.416 2.652 20 0 GFADRO COC(=O)/C=C\c1ccc(C[NH2+]CC2(n3cc(Br)cn3)CC2)o1 ZINC000896912086 663581459 /nfs/dbraw/zinc/58/14/59/663581459.db2.gz RCOHGFKFWWOTTJ-PLNGDYQASA-N 1 0 380.242 2.704 20 0 GFADRO O=C(Nc1cc(-c2ccc(Br)o2)no1)C1C[NH+](C2CCOCC2)C1 ZINC000897066621 663588924 /nfs/dbraw/zinc/58/89/24/663588924.db2.gz ZBRDAELYJWLQNR-UHFFFAOYSA-N 1 0 396.241 2.746 20 0 GFADRO CN(Cc1ccc(Br)c(F)c1)C(=O)C1C[NH+](C2CCOCC2)C1 ZINC000897563908 663610920 /nfs/dbraw/zinc/61/09/20/663610920.db2.gz SKHGMVODPDGSMT-UHFFFAOYSA-N 1 0 385.277 2.657 20 0 GFADRO CC1(C)C[C@H]([NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)CCS1 ZINC000897788590 663620618 /nfs/dbraw/zinc/62/06/18/663620618.db2.gz GZUHMNWCXJCUOR-LLVKDONJSA-N 1 0 393.372 2.860 20 0 GFADRO O=C(NCc1cscc1Cl)C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000897865114 663622909 /nfs/dbraw/zinc/62/29/09/663622909.db2.gz DNFCJDUPAOEDAN-UHFFFAOYSA-N 1 0 383.945 2.931 20 0 GFADRO C[C@@H](CCc1cccnc1)[NH2+][C@H]1Cc2cc(Br)cnc2NC1=O ZINC000897978516 663628348 /nfs/dbraw/zinc/62/83/48/663628348.db2.gz QUCHAEQKLBTLEA-NHYWBVRUSA-N 1 0 375.270 2.713 20 0 GFADRO CN(CCCC[NH+]1CCCCC1)C(=O)C(=O)NCC[C@@]1(C)C[C@]1(F)Cl ZINC000898102380 663633133 /nfs/dbraw/zinc/63/31/33/663633133.db2.gz QNEZYHGZRCPQAY-ZWKOTPCHSA-N 1 0 375.916 2.532 20 0 GFADRO Cc1sc(C(=O)N2CCC(CO)([NH2+]CC3CC3)CC2)cc1Br ZINC000898111014 663633584 /nfs/dbraw/zinc/63/35/84/663633584.db2.gz XDRWNHUKYMMBGU-UHFFFAOYSA-N 1 0 387.343 2.786 20 0 GFADRO Fc1cccc(C[NH2+][C@@H]2CCOC23CCOCC3)c1I ZINC000898113091 663634089 /nfs/dbraw/zinc/63/40/89/663634089.db2.gz UCXMRRZOSFSAID-CYBMUJFWSA-N 1 0 391.224 2.858 20 0 GFADRO O=C(CCc1ccc(Br)cc1)N1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000898117890 663634576 /nfs/dbraw/zinc/63/45/76/663634576.db2.gz RJSRAYDPRGQZIE-UHFFFAOYSA-N 1 0 395.341 2.735 20 0 GFADRO O=C(c1cc(F)cc(Br)c1)N1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000898121752 663634597 /nfs/dbraw/zinc/63/45/97/663634597.db2.gz ZYXHOBDCCJRYLO-UHFFFAOYSA-N 1 0 385.277 2.555 20 0 GFADRO O=c1cc(N2CC[C@@H]([NH2+]Cc3cc(Cl)ccc3Br)C2)nc[nH]1 ZINC000898155513 663636285 /nfs/dbraw/zinc/63/62/85/663636285.db2.gz ORWIYAVLYWZTSY-GFCCVEGCSA-N 1 0 383.677 2.967 20 0 GFADRO C[C@](CO)([NH2+][C@H]1CCC2(C[C@@H]1F)OCCO2)c1cccc(Br)c1 ZINC000898168950 663636951 /nfs/dbraw/zinc/63/69/51/663636951.db2.gz VFCZRZSHTDEJSJ-HRCADAONSA-N 1 0 388.277 2.880 20 0 GFADRO O=c1[nH]ncc(N2CC[C@@H]([NH2+]Cc3c(Cl)nc4ccccn43)C2)c1Cl ZINC000898365226 663644919 /nfs/dbraw/zinc/64/49/19/663644919.db2.gz XDNKHDIGRBCHQK-SNVBAGLBSA-N 1 0 379.251 2.505 20 0 GFADRO CCO[P@](C)(=O)CC[C@@H](C)[NH2+][C@@H]1CCN(c2cn[nH]c(=O)c2Cl)C1 ZINC000898372674 663645311 /nfs/dbraw/zinc/64/53/11/663645311.db2.gz VYIGIQYUYWTYDU-FLXNLOQFSA-N 1 0 376.825 2.727 20 0 GFADRO Clc1nc(N2CCOCC2)sc1C[NH2+]CCOC1CCSCC1 ZINC000898441265 663650066 /nfs/dbraw/zinc/65/00/66/663650066.db2.gz QSGKYTPLLQOTAK-UHFFFAOYSA-N 1 0 377.963 2.635 20 0 GFADRO O=C(c1ccc(-n2cc(Br)cn2)cc1)N1CC([NH+]2CCCC2)C1 ZINC000898614181 663658155 /nfs/dbraw/zinc/65/81/55/663658155.db2.gz MDNSTYYMKSVMMD-UHFFFAOYSA-N 1 0 375.270 2.555 20 0 GFADRO CCc1oc(C[NH2+][C@H]2CCc3ncc(Br)n3C2)cc1C(=O)OC ZINC000898719189 663660279 /nfs/dbraw/zinc/66/02/79/663660279.db2.gz CRQPNPZOSMZEKK-JTQLQIEISA-N 1 0 382.258 2.692 20 0 GFADRO Brc1cnc2n1C[C@H]([NH2+]Cc1ccc(O[C@@H]3CCOC3)cc1)CC2 ZINC000898719484 663660320 /nfs/dbraw/zinc/66/03/20/663660320.db2.gz GCNSYQUHNPOCPI-GDBMZVCRSA-N 1 0 392.297 2.918 20 0 GFADRO C[C@@H]([NH2+][C@@H]1CCc2ncc(Br)n2C1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000898720608 663660520 /nfs/dbraw/zinc/66/05/20/663660520.db2.gz MHIFNOBUBREOSK-DGCLKSJQSA-N 1 0 399.333 2.805 20 0 GFADRO CCOC(=O)N1CCC(C)(C[NH2+][C@@H]2CCc3ncc(Br)n3C2)CC1 ZINC000898721526 663660564 /nfs/dbraw/zinc/66/05/64/663660564.db2.gz SWFPQOLIDRWBRH-CYBMUJFWSA-N 1 0 399.333 2.809 20 0 GFADRO FC(F)(F)CCN1CCC([NH2+][C@H]2CCc3ncc(Br)n3C2)CC1 ZINC000898724554 663661379 /nfs/dbraw/zinc/66/13/79/663661379.db2.gz NLQZNUPBNBBCPQ-LBPRGKRZSA-N 1 0 395.267 2.967 20 0 GFADRO CC(C)(C)OC(=O)NC(C)(C)C[NH2+][C@H]1CCc2ncc(Br)n2C1 ZINC000898726540 663661502 /nfs/dbraw/zinc/66/15/02/663661502.db2.gz ZPVSZAMTUAEJMM-NSHDSACASA-N 1 0 387.322 2.853 20 0 GFADRO C[NH+](C)[C@@H]1C[C@H](NC(=O)C2(c3cncc(Br)c3)CC2)C12CCC2 ZINC000898833140 663665812 /nfs/dbraw/zinc/66/58/12/663665812.db2.gz ZXDXUEXPXUPXMS-LSDHHAIUSA-N 1 0 378.314 2.865 20 0 GFADRO CCc1ccc(Br)cc1C(=O)N1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000899211951 663679881 /nfs/dbraw/zinc/67/98/81/663679881.db2.gz LGRBPUWGNXFDEQ-UHFFFAOYSA-N 1 0 395.341 2.978 20 0 GFADRO O=C(Nc1c[nH]c2ccc(Br)cc12)C1C[NH+](C2CCOCC2)C1 ZINC000899238783 663680596 /nfs/dbraw/zinc/68/05/96/663680596.db2.gz KBGPDCPTQKRJQB-UHFFFAOYSA-N 1 0 378.270 2.980 20 0 GFADRO C[C@@H]1[C@H](C(=O)NCc2ccn(-c3ccc(Br)cc3)n2)CC[N@@H+]1C ZINC000899460131 663689114 /nfs/dbraw/zinc/68/91/14/663689114.db2.gz VNIAJTHOCCUWRN-MLGOLLRUSA-N 1 0 377.286 2.591 20 0 GFADRO C[NH+](C)Cc1ccc(NC(=O)C[C@H]2CCCS2(=O)=O)cc1C(F)(F)F ZINC000899671828 663697990 /nfs/dbraw/zinc/69/79/90/663697990.db2.gz DVQUZWXGXALWPV-CYBMUJFWSA-N 1 0 378.416 2.673 20 0 GFADRO [NH3+][C@H](c1cn([C@H]2CCOc3ccc(Br)cc32)nn1)[C@@H]1CCCO1 ZINC000899738786 663699793 /nfs/dbraw/zinc/69/97/93/663699793.db2.gz JFQYIZFYZJBHKW-CWRNSKLLSA-N 1 0 379.258 2.591 20 0 GFADRO Brc1ccc2c(c1)[C@@H](n1cc(C[C@H]3CCC[NH2+]C3)nn1)CCO2 ZINC000899739067 663699824 /nfs/dbraw/zinc/69/98/24/663699824.db2.gz RIBBYGMKZCJAHX-WBMJQRKESA-N 1 0 377.286 2.955 20 0 GFADRO O=C(Nc1cc(Br)ccc1N1CCOCC1)[C@@]12CC[N@H+](C1)CCC2 ZINC000899978441 663705673 /nfs/dbraw/zinc/70/56/73/663705673.db2.gz ZATQZEDSPGUARV-SFHVURJKSA-N 1 0 394.313 2.710 20 0 GFADRO Cc1cc(C)c(CC(=O)NCCCN2CC[NH+](C)CC2)c(C)c1Br ZINC000899991545 663706171 /nfs/dbraw/zinc/70/61/71/663706171.db2.gz QSKPRZXOIGZJHX-UHFFFAOYSA-N 1 0 396.373 2.671 20 0 GFADRO O=C(Cc1c[nH]c2ccc(Br)cc12)NCCCC[NH+]1CCOCC1 ZINC000900221300 663710114 /nfs/dbraw/zinc/71/01/14/663710114.db2.gz NDBNSWJIVXVBPO-UHFFFAOYSA-N 1 0 394.313 2.702 20 0 GFADRO COc1ccc([C@H]([NH2+]C(C)C)C(=O)NCc2ncc(Br)cn2)cc1 ZINC000900791357 663721554 /nfs/dbraw/zinc/72/15/54/663721554.db2.gz GNGCDEJSHKATMS-INIZCTEOSA-N 1 0 393.285 2.603 20 0 GFADRO CC[NH+](CC)Cc1ccc(C(=O)N[C@H]2CCc3ncc(Br)n3C2)o1 ZINC000900935184 663727134 /nfs/dbraw/zinc/72/71/34/663727134.db2.gz VLKXRYJEEJYVFS-LBPRGKRZSA-N 1 0 395.301 2.825 20 0 GFADRO C[N@@H+]1CCC[C@](O)(CC(=O)N2CCC[C@H]2c2ccccc2Br)C1 ZINC000901006758 663728800 /nfs/dbraw/zinc/72/88/00/663728800.db2.gz BSMUGOONWDWYKH-WMZOPIPTSA-N 1 0 381.314 2.959 20 0 GFADRO CC1(C[NH2+][C@@H](C(N)=O)c2ccc(Br)cc2)CCC2(CC1)OCCO2 ZINC000901656470 663740819 /nfs/dbraw/zinc/74/08/19/663740819.db2.gz YEZPEORGMMJYOI-OAHLLOKOSA-N 1 0 397.313 2.889 20 0 GFADRO Cc1ccccc1NC(=O)[C@H](C)[NH2+][C@@H]1CCc2ncc(Br)n2C1 ZINC000901728140 663743811 /nfs/dbraw/zinc/74/38/11/663743811.db2.gz LFILTSOHJLCTHC-QWHCGFSZSA-N 1 0 377.286 2.886 20 0 GFADRO COc1cn(C[NH+]2CCN(c3cccc(Br)c3)CC2)c(C)cc1=O ZINC000902254913 663758030 /nfs/dbraw/zinc/75/80/30/663758030.db2.gz IUTNHZJBTSVPGX-UHFFFAOYSA-N 1 0 392.297 2.708 20 0 GFADRO COc1cc([C@H](C)NC[C@H]2CCCCC[NH2+]2)ccc1S(=O)(=O)C(F)F ZINC000902483032 663761816 /nfs/dbraw/zinc/76/18/16/663761816.db2.gz OQPRNRIXOFMZHO-GXTWGEPZSA-N 1 0 376.469 2.874 20 0 GFADRO O=S1(=O)CC[C@@H](NC[C@@H]2CCCCC[NH2+]2)c2cc(Br)ccc21 ZINC000902481148 663761836 /nfs/dbraw/zinc/76/18/36/663761836.db2.gz AFHZBTDOFIAKSB-DZGCQCFKSA-N 1 0 387.343 2.789 20 0 GFADRO CCCn1cc([C@@H](C)[NH2+]C[C@@H](CO)Cc2ccccc2Br)nn1 ZINC000902972558 663770164 /nfs/dbraw/zinc/77/01/64/663770164.db2.gz GCYACFFCXQQHHT-KGLIPLIRSA-N 1 0 381.318 2.952 20 0 GFADRO CCS(=O)(=O)NC1CC[NH+](CCCc2ccccc2Br)CC1 ZINC000903010691 663771059 /nfs/dbraw/zinc/77/10/59/663771059.db2.gz XSYCPENFWYNDKQ-UHFFFAOYSA-N 1 0 389.359 2.785 20 0 GFADRO CC(C)C(=O)NCCC[NH2+][C@H](C)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000903127704 663775130 /nfs/dbraw/zinc/77/51/30/663775130.db2.gz KGNGLVWLYQDSMX-GFCCVEGCSA-N 1 0 380.432 2.793 20 0 GFADRO Clc1cc(I)ccc1C[NH2+][C@H]1CCO[C@@]12CCOC2 ZINC000903167752 663776754 /nfs/dbraw/zinc/77/67/54/663776754.db2.gz PBIJBRWTEXLLTI-UONOGXRCSA-N 1 0 393.652 2.982 20 0 GFADRO CN(CCC[N@H+](C)Cc1ccncc1)S(=O)(=O)C[C@]1(C)CC1(Cl)Cl ZINC000903197649 663778254 /nfs/dbraw/zinc/77/82/54/663778254.db2.gz RXTGACSVXWJJDN-HNNXBMFYSA-N 1 0 394.368 2.749 20 0 GFADRO O=S(=O)(c1cc(Cl)ccc1Br)N1CCC([NH+]2CCC2)CC1 ZINC000903203911 663778488 /nfs/dbraw/zinc/77/84/88/663778488.db2.gz HEKBWZKMDUPUQG-UHFFFAOYSA-N 1 0 393.734 2.961 20 0 GFADRO CCNS(=O)(=O)c1cccc(C[NH2+][C@H](C)c2ccc([S@@](C)=O)cc2)c1 ZINC000903234991 663780180 /nfs/dbraw/zinc/78/01/80/663780180.db2.gz UZGDWBYTKMFEAJ-JBEBIEQOSA-N 1 0 380.535 2.573 20 0 GFADRO CC[C@H]([NH2+]C[C@]1(OC)CCSC1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000903314330 663781305 /nfs/dbraw/zinc/78/13/05/663781305.db2.gz LXYVLWLOJXBJNH-GOEBONIOSA-N 1 0 392.974 2.811 20 0 GFADRO C[C@@H]([NH2+][C@H]1Cc2cc(Br)cnc2NC1=O)c1cccc(CO)c1 ZINC000903322747 663781642 /nfs/dbraw/zinc/78/16/42/663781642.db2.gz BPXGEGOLWRKQHW-BMIGLBTASA-N 1 0 376.254 2.550 20 0 GFADRO C[C@H]([NH2+][C@H]1Cc2cc(Br)cnc2NC1=O)c1ccc2c(c1)OCO2 ZINC000903326452 663782101 /nfs/dbraw/zinc/78/21/01/663782101.db2.gz QCZSWTGCSALRDJ-ZANVPECISA-N 1 0 390.237 2.787 20 0 GFADRO OC1(C[NH2+][C@H]2CCc3cc(Br)ccc3C2)CCC2(CC1)OCCO2 ZINC000903374075 663783412 /nfs/dbraw/zinc/78/34/12/663783412.db2.gz GVRJSGVUEAIZKG-KRWDZBQOSA-N 1 0 396.325 2.944 20 0 GFADRO Cc1cc(Br)ccc1C(=O)N1CCC([NH2+][C@H]2COC[C@H]2C)CC1 ZINC000903396500 663783644 /nfs/dbraw/zinc/78/36/44/663783644.db2.gz RFJXMPJUSRVJPE-DYVFJYSZSA-N 1 0 381.314 2.987 20 0 GFADRO C[C@H]([NH2+]Cc1cccc(N(C)S(C)(=O)=O)c1)c1ccc([S@@](C)=O)cc1 ZINC000903424094 663784351 /nfs/dbraw/zinc/78/43/51/663784351.db2.gz LYHUAMMHDRHJPS-LFPIHBKWSA-N 1 0 380.535 2.671 20 0 GFADRO O=c1[nH]ncc(N2CC[C@H]([NH2+][C@@H]3COCc4cccc(Cl)c43)C2)c1Cl ZINC000903436253 663784878 /nfs/dbraw/zinc/78/48/78/663784878.db2.gz VFAJBEBOWYXPLN-WCQYABFASA-N 1 0 381.263 2.929 20 0 GFADRO C[C@H]([NH2+][C@H]1CCc2ncc(Br)n2C1)c1cccc(-n2cnnc2)c1 ZINC000903479999 663785352 /nfs/dbraw/zinc/78/53/52/663785352.db2.gz NEJCKQWGSDEUFJ-JSGCOSHPSA-N 1 0 387.285 2.892 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCCN(S(=O)(=O)c2c[nH]c3cc(Br)ccc32)C1 ZINC000903487137 663785595 /nfs/dbraw/zinc/78/55/95/663785595.db2.gz QTXBWBCRJTXABY-WDEREUQCSA-N 1 0 386.315 2.678 20 0 GFADRO C[C@H](NS(=O)(=O)c1c[nH]c2cc(Br)ccc21)[C@H]1CCC[NH2+]C1 ZINC000903484338 663785639 /nfs/dbraw/zinc/78/56/39/663785639.db2.gz YMWINSAZUPZYOW-QWRGUYRKSA-N 1 0 386.315 2.597 20 0 GFADRO O=C(CN[C@H]1CC[NH2+]C12CCCC2)Nc1c(F)cc(F)cc1Br ZINC000903485712 663785652 /nfs/dbraw/zinc/78/56/52/663785652.db2.gz PCWOIMYVZZVCOJ-ZDUSSCGKSA-N 1 0 388.256 2.930 20 0 GFADRO O=S(=O)(c1c[nH]c2ncc(Cl)cc12)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000903499514 663785705 /nfs/dbraw/zinc/78/57/05/663785705.db2.gz LDRPVAYDWIHAGL-CHWSQXEVSA-N 1 0 382.917 2.617 20 0 GFADRO CC[C@@H]1CN(S(=O)(=O)c2c[nH]c3cc(Br)ccc32)CC[C@H]1[NH3+] ZINC000903495175 663785785 /nfs/dbraw/zinc/78/57/85/663785785.db2.gz RETFBMWUOWPRTI-ZWNOBZJWSA-N 1 0 386.315 2.678 20 0 GFADRO O=S(=O)(Cc1cccc(Cl)c1Br)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000903514447 663786410 /nfs/dbraw/zinc/78/64/10/663786410.db2.gz QFVKHGGMUCWGEF-CQSZACIVSA-N 1 0 393.734 2.618 20 0 GFADRO [NH3+][C@@H]1CN(Cc2nc(-c3cc(Br)cs3)no2)C[C@H]1C(F)(F)F ZINC000903518510 663786834 /nfs/dbraw/zinc/78/68/34/663786834.db2.gz QTPHMSCVJGBMOR-HTQZYQBOSA-N 1 0 397.220 2.882 20 0 GFADRO [NH3+]CC1(c2ccccc2)CCN(S(=O)(=O)c2ccc(Cl)nc2F)CC1 ZINC000903532931 663787450 /nfs/dbraw/zinc/78/74/50/663787450.db2.gz VMGIDBUNIVRTKR-UHFFFAOYSA-N 1 0 383.876 2.555 20 0 GFADRO [NH3+][C@H]1CN(CC(=O)Nc2ccc(Br)cc2F)CC[C@H]1C(F)(F)F ZINC000903535471 663787729 /nfs/dbraw/zinc/78/77/29/663787729.db2.gz ZNGYAVPPRGQHEJ-KOLCDFICSA-N 1 0 398.198 2.738 20 0 GFADRO O=S(=O)(c1ccc(Cl)c(F)c1Cl)N1CC[NH2+]CCC12CCOCC2 ZINC000903549221 663788330 /nfs/dbraw/zinc/78/83/30/663788330.db2.gz GQKJKJQMABVANN-UHFFFAOYSA-N 1 0 397.299 2.666 20 0 GFADRO [NH3+][C@@H]1CN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC[C@@H]1C(F)(F)F ZINC000903577011 663789785 /nfs/dbraw/zinc/78/97/85/663789785.db2.gz CJLAENFWEAVCOF-WCBMZHEXSA-N 1 0 377.215 2.894 20 0 GFADRO [NH3+][C@H]1CN(S(=O)(=O)c2ccc(Cl)cc2Cl)CC[C@H]1C(F)(F)F ZINC000903579012 663790049 /nfs/dbraw/zinc/79/00/49/663790049.db2.gz LELZFFZNGMAKNH-SCZZXKLOSA-N 1 0 377.215 2.894 20 0 GFADRO [NH3+][C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2Cl)CC[C@H]1C(F)(F)F ZINC000903579011 663790058 /nfs/dbraw/zinc/79/00/58/663790058.db2.gz LELZFFZNGMAKNH-PSASIEDQSA-N 1 0 377.215 2.894 20 0 GFADRO [NH3+]C[C@]12CC[C@H]1CCN2S(=O)(=O)c1c(Cl)cccc1Br ZINC000903587718 663790716 /nfs/dbraw/zinc/79/07/16/663790716.db2.gz AMGAYFQPEMIPMD-TVQRCGJNSA-N 1 0 379.707 2.604 20 0 GFADRO [NH3+]C[C@@]12CC[C@@H]1CCN2S(=O)(=O)c1cccc(Br)c1Cl ZINC000903590713 663790866 /nfs/dbraw/zinc/79/08/66/663790866.db2.gz YUCFYJJDCMQNGY-RNCFNFMXSA-N 1 0 379.707 2.604 20 0 GFADRO O[C@H](COc1ccc(Cl)cc1Cl)CN1CC[NH2+]CCC12CCOCC2 ZINC000903819335 663807513 /nfs/dbraw/zinc/80/75/13/663807513.db2.gz HASRCCVRITVPJV-HNNXBMFYSA-N 1 0 389.323 2.578 20 0 GFADRO Cc1c(C[C@H](C[NH3+])CN2CCc3c(Br)ccc(F)c3C2)cnn1C ZINC000903905371 663810918 /nfs/dbraw/zinc/81/09/18/663810918.db2.gz DDNRAXXYFBRFBY-CYBMUJFWSA-N 1 0 395.320 2.806 20 0 GFADRO Cc1c(C[C@@H](C[NH3+])CN2CCc3c(Br)ccc(F)c3C2)cnn1C ZINC000903905372 663810947 /nfs/dbraw/zinc/81/09/47/663810947.db2.gz DDNRAXXYFBRFBY-ZDUSSCGKSA-N 1 0 395.320 2.806 20 0 GFADRO COc1ccc(Br)c(CN(C)Cc2cnnn2[C@H]2CCC[NH2+]C2)c1 ZINC000903912855 663811128 /nfs/dbraw/zinc/81/11/28/663811128.db2.gz JBEBVDDKSIDQPE-AWEZNQCLSA-N 1 0 394.317 2.606 20 0 GFADRO Cc1c(C[C@@H](C[NH3+])CN2CCc3cc(Br)cc(F)c3C2)cnn1C ZINC000903917235 663811473 /nfs/dbraw/zinc/81/14/73/663811473.db2.gz XFDQXICJVBEHON-ZDUSSCGKSA-N 1 0 395.320 2.806 20 0 GFADRO [NH3+][C@@H]1CN(Cc2nc3ccccn3c2Br)CC[C@@H]1C(F)(F)F ZINC000903984118 663815204 /nfs/dbraw/zinc/81/52/04/663815204.db2.gz PHMJDFUQPDVZIE-VHSXEESVSA-N 1 0 377.208 2.808 20 0 GFADRO C[NH+](C)[C@@H]1CCN(c2ccc(NC(=O)c3cnc(Br)s3)nc2)C1 ZINC000904013620 663817154 /nfs/dbraw/zinc/81/71/54/663817154.db2.gz LMJWHKLALYPWSU-LLVKDONJSA-N 1 0 396.314 2.693 20 0 GFADRO Cc1c(-c2nc([C@H]3CCC[NH2+]C3)no2)nnn1-c1ccccc1Br ZINC000904073573 663822577 /nfs/dbraw/zinc/82/25/77/663822577.db2.gz SMGZUFGONIVMLB-NSHDSACASA-N 1 0 389.257 2.855 20 0 GFADRO CC1(C)C[NH2+]C[C@@H]1c1nc(CC(=O)Nc2ccccc2Br)no1 ZINC000904110580 663824845 /nfs/dbraw/zinc/82/48/45/663824845.db2.gz XZLHLESGLBXRJX-SNVBAGLBSA-N 1 0 379.258 2.726 20 0 GFADRO C[NH+](C)C1CCN(CCNC(=O)N(O)Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000904177672 663826849 /nfs/dbraw/zinc/82/68/49/663826849.db2.gz LDSVALSHCCZHNF-UHFFFAOYSA-N 1 0 389.327 2.920 20 0 GFADRO [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)Nc1cc3c(cc1Br)OCCO3)C2 ZINC000904277716 663829929 /nfs/dbraw/zinc/82/99/29/663829929.db2.gz ADOQJHSTJZYJTG-AXFHLTTASA-N 1 0 382.258 2.564 20 0 GFADRO COc1cc(Br)c(NC(=O)N2CC[C@H]3CC[C@@]32C[NH3+])cc1OC ZINC000904309218 663830441 /nfs/dbraw/zinc/83/04/41/663830441.db2.gz DCUHDKDNHDZMQE-QLJPJBMISA-N 1 0 384.274 2.811 20 0 GFADRO COc1cc(Br)c(NC(=O)N2CC[C@@H]3CC[C@@]32C[NH3+])cc1OC ZINC000904309216 663830502 /nfs/dbraw/zinc/83/05/02/663830502.db2.gz DCUHDKDNHDZMQE-MGPLVRAMSA-N 1 0 384.274 2.811 20 0 GFADRO Brc1ccc(Br)c(CNC[C@H]2C[NH2+]CCCO2)c1 ZINC000904358667 663831404 /nfs/dbraw/zinc/83/14/04/663831404.db2.gz RHFUSDUWAPMOOD-GFCCVEGCSA-N 1 0 378.108 2.680 20 0 GFADRO COC(=O)c1cc(Br)ccc1NC(=O)N1CCC[C@@]12CC[NH2+]C2 ZINC000904389328 663831996 /nfs/dbraw/zinc/83/19/96/663831996.db2.gz KKOMFETWPWUPKS-INIZCTEOSA-N 1 0 382.258 2.596 20 0 GFADRO COc1cc(NC(=O)N2CC[C@H]3CC[C@@]32C[NH3+])cc(OC)c1Br ZINC000904404789 663832847 /nfs/dbraw/zinc/83/28/47/663832847.db2.gz FUFVSFYRGDWFKJ-QLJPJBMISA-N 1 0 384.274 2.811 20 0 GFADRO COCC[C@@H]1C[NH2+]CCN1C(=O)Nc1cnc(Cl)c(Br)c1C ZINC000904419349 663833400 /nfs/dbraw/zinc/83/34/00/663833400.db2.gz SWRAGZMXAGROPH-SNVBAGLBSA-N 1 0 391.697 2.648 20 0 GFADRO O=C(Nc1ccnn1Cc1ccccc1Br)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000904428270 663833922 /nfs/dbraw/zinc/83/39/22/663833922.db2.gz IMNQGGIUHQCXMY-NWANDNLSSA-N 1 0 390.285 2.708 20 0 GFADRO O=C(Nc1ccn(-c2ccc(Br)cc2)n1)N1CCC[C@]12CC[NH2+]C2 ZINC000904484267 663836063 /nfs/dbraw/zinc/83/60/63/663836063.db2.gz OAYYXKRDNXPRLZ-QGZVFWFLSA-N 1 0 390.285 2.995 20 0 GFADRO COC[C@@H]1C[NH2+]CCN1C(=O)Nc1cc(Cl)c(Br)cc1F ZINC000904527025 663836945 /nfs/dbraw/zinc/83/69/45/663836945.db2.gz JQROPYXFCUWTOM-QMMMGPOBSA-N 1 0 380.645 2.694 20 0 GFADRO COCCOc1ccc(NC(=O)NCC2([NH3+])CCCC2)cc1Br ZINC000904551930 663837915 /nfs/dbraw/zinc/83/79/15/663837915.db2.gz PEJRBMBZMNEYAY-UHFFFAOYSA-N 1 0 386.290 2.867 20 0 GFADRO COCCOc1ccc(NC(=O)N2C[C@H](C)[NH2+]C[C@H]2C)cc1Br ZINC000904552003 663838171 /nfs/dbraw/zinc/83/81/71/663838171.db2.gz ROMWDGVKQSHQAF-NWDGAFQWSA-N 1 0 386.290 2.688 20 0 GFADRO COCCOc1ccc(NC(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)cc1Br ZINC000904552944 663838391 /nfs/dbraw/zinc/83/83/91/663838391.db2.gz ZVUINLQNUBSBOE-OCCSQVGLSA-N 1 0 398.301 2.833 20 0 GFADRO COC(=O)c1cc(NC(=O)NC[C@@H]2C[NH2+]CCC2(F)F)cc(F)c1Cl ZINC000904565651 663838494 /nfs/dbraw/zinc/83/84/94/663838494.db2.gz AQXUPCPPQDYULQ-QMMMGPOBSA-N 1 0 379.766 2.632 20 0 GFADRO C[C@@H]1C[C@H](c2nc(CC(=O)Nc3ccccc3Br)no2)CC[NH2+]1 ZINC000904689594 663841006 /nfs/dbraw/zinc/84/10/06/663841006.db2.gz MBPPHGQMLUPIQP-GHMZBOCLSA-N 1 0 379.258 2.869 20 0 GFADRO COc1nc(C)c(Br)cc1-c1noc(C2([C@H](C)[NH3+])CCOCC2)n1 ZINC000904708382 663841591 /nfs/dbraw/zinc/84/15/91/663841591.db2.gz OBMDXVNCOAHTNI-JTQLQIEISA-N 1 0 397.273 2.607 20 0 GFADRO COc1nc(C)c(Br)cc1-c1noc(CCSCCC[NH3+])n1 ZINC000904709761 663841870 /nfs/dbraw/zinc/84/18/70/663841870.db2.gz YNLFTXVBGQTYOV-UHFFFAOYSA-N 1 0 387.303 2.836 20 0 GFADRO Brc1ccccc1C1(c2noc([C@]34C[NH2+]C[C@H]3CCOC4)n2)CC1 ZINC000904715493 663842042 /nfs/dbraw/zinc/84/20/42/663842042.db2.gz CZZJZTVPRQTZKY-XIKOKIGWSA-N 1 0 390.281 2.790 20 0 GFADRO OCC1(C[C@@H](O)C[NH2+][C@@H]2CCN(c3ccccc3Br)C2)CCCC1 ZINC000905105414 663853608 /nfs/dbraw/zinc/85/36/08/663853608.db2.gz VXQREBLLZXODJH-HZPDHXFCSA-N 1 0 397.357 2.921 20 0 GFADRO O[C@@H](C[NH2+]Cc1cc(Cl)cc(Cl)c1OC(F)F)C[C@]1(O)CCOC1 ZINC000905162784 663855691 /nfs/dbraw/zinc/85/56/91/663855691.db2.gz XMRFJUUNMCITQA-IAQYHMDHSA-N 1 0 386.222 2.587 20 0 GFADRO Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+]C[C@@](C)(O)C(F)(F)C(F)(F)F)cc1 ZINC000905220106 663859957 /nfs/dbraw/zinc/85/99/57/663859957.db2.gz PENSZVDUFNKIKR-WCQYABFASA-N 1 0 389.386 2.695 20 0 GFADRO CCS(=O)(=O)c1ccc(C[NH2+]C[C@H](O)CC[C@@H](O)c2ccccc2)s1 ZINC000905241790 663861941 /nfs/dbraw/zinc/86/19/41/663861941.db2.gz GRWRNAMDJNJHKB-NVXWUHKLSA-N 1 0 383.535 2.506 20 0 GFADRO COc1ccccc1[C@@H]1CSCCCN1S(=O)(=O)CC1CC[NH2+]CC1 ZINC000905362205 663867571 /nfs/dbraw/zinc/86/75/71/663867571.db2.gz MXROMAJMLZZTIZ-KRWDZBQOSA-N 1 0 384.567 2.505 20 0 GFADRO O[C@@H](C[NH2+]C[C@@H]1CCC2(CCOCC2)[C@H]1O)c1ccc(Br)cc1 ZINC000905369884 663867882 /nfs/dbraw/zinc/86/78/82/663867882.db2.gz DGPQKDBKRVYUAH-XIRDDKMYSA-N 1 0 384.314 2.640 20 0 GFADRO C[C@](O)(C[NH2+][C@H]1C[C@H](S(=O)(=O)c2ccccc2)C1)C(F)(F)C(F)(F)F ZINC000905403872 663869847 /nfs/dbraw/zinc/86/98/47/663869847.db2.gz FZMTUFAEQZCJHG-DRZSPHRISA-N 1 0 387.370 2.530 20 0 GFADRO COC(=O)C1CC2(C1)C[C@H]([NH2+]C[C@@H](O)c1ccc(Br)cc1)CCO2 ZINC000905489010 663873893 /nfs/dbraw/zinc/87/38/93/663873893.db2.gz IDUPQSQNWIJAHT-WKPSDNRBSA-N 1 0 398.297 2.573 20 0 GFADRO CC(C)O[C@@]1(C[NH2+]C[C@](C)(O)c2ccc(Br)cc2F)CCOC1 ZINC000905559438 663878271 /nfs/dbraw/zinc/87/82/71/663878271.db2.gz WKMJMDHKAOPTSJ-DLBZAZTESA-N 1 0 390.293 2.969 20 0 GFADRO C[C@@](O)(C[NH2+]CCO[C@@H]1CCOC1)c1ccc(Br)cc1Cl ZINC000905608535 663881112 /nfs/dbraw/zinc/88/11/12/663881112.db2.gz IXVPRGSXUVVKGK-IUODEOHRSA-N 1 0 378.694 2.705 20 0 GFADRO O[C@H](C[NH2+]C[C@H]1CCN1C1CCOCC1)COc1cc(Cl)cc(Cl)c1 ZINC000905619430 663881731 /nfs/dbraw/zinc/88/17/31/663881731.db2.gz MTLGQICOTYEMJK-IAGOWNOFSA-N 1 0 389.323 2.576 20 0 GFADRO O=C(CC[NH2+]C[C@H]1CCN1C1CCOCC1)Nc1ccc(Br)cc1 ZINC000905617428 663881732 /nfs/dbraw/zinc/88/17/32/663881732.db2.gz CSYDDMXMPVEHCO-QGZVFWFLSA-N 1 0 396.329 2.621 20 0 GFADRO C[NH+]1CCC(NC(=S)N[C@H]2CCOc3ccc(Br)cc32)CC1 ZINC000905641771 663883204 /nfs/dbraw/zinc/88/32/04/663883204.db2.gz JHNPUSDEEALNSW-AWEZNQCLSA-N 1 0 384.343 2.831 20 0 GFADRO C[NH+]1CCC(NC(=S)NNc2cc(Cl)ccc2Br)CC1 ZINC000905638947 663883247 /nfs/dbraw/zinc/88/32/47/663883247.db2.gz CFFGTWCGRBPZQU-UHFFFAOYSA-N 1 0 377.739 2.988 20 0 GFADRO C[C@]1([C@@H]2CCCN(Cn3ncc(Br)c3C3CC3)C2)COC(=O)N1 ZINC000905700657 663887560 /nfs/dbraw/zinc/88/75/60/663887560.db2.gz JDPPJKCTPROGTM-MLGOLLRUSA-N 1 0 383.290 2.691 20 0 GFADRO CC1(C)CC(NC(=O)c2nscc2I)CC(C)(C)[NH2+]1 ZINC000905745445 663891043 /nfs/dbraw/zinc/89/10/43/663891043.db2.gz OLOAPFMMFWFWQH-UHFFFAOYSA-N 1 0 393.294 2.787 20 0 GFADRO CC(C)[NH2+]Cc1cn(Cc2nc(Cc3cccc(Br)c3)no2)nn1 ZINC000905801025 663892908 /nfs/dbraw/zinc/89/29/08/663892908.db2.gz RJFRJNFJSOWXAX-UHFFFAOYSA-N 1 0 391.273 2.561 20 0 GFADRO [NH3+]C1CCN(Cc2cn(Cc3cccc(Br)c3Cl)nn2)CC1 ZINC000905806920 663893330 /nfs/dbraw/zinc/89/33/30/663893330.db2.gz GYTUPTZDTKIFDB-UHFFFAOYSA-N 1 0 384.709 2.665 20 0 GFADRO NC(=O)[C@@H](Cc1ccccc1)[NH2+][C@H]1CCOc2ccc(Br)cc21 ZINC000905852375 663896863 /nfs/dbraw/zinc/89/68/63/663896863.db2.gz JAXYEJUECMSTSP-JKSUJKDBSA-N 1 0 375.266 2.959 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)C1(n2cccn2)CC[NH2+]CC1 ZINC000906218945 663932463 /nfs/dbraw/zinc/93/24/63/663932463.db2.gz GHKHIDQLVHOEIC-UHFFFAOYSA-N 1 0 377.286 2.925 20 0 GFADRO CC(C)[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)N(C)c1cc(C[NH3+])ccn1 ZINC000906228647 663933014 /nfs/dbraw/zinc/93/30/14/663933014.db2.gz ZNQHVTLWOCPNAK-OAHLLOKOSA-N 1 0 380.901 2.673 20 0 GFADRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)c2nscc2I)C1 ZINC000906449639 663948915 /nfs/dbraw/zinc/94/89/15/663948915.db2.gz FVBKVEZSUZUOOY-JTQLQIEISA-N 1 0 393.294 2.598 20 0 GFADRO CO[C@@H](C(=O)N(C)CC1CC[NH+](C)CC1)c1ccc(Br)s1 ZINC000906569016 663958906 /nfs/dbraw/zinc/95/89/06/663958906.db2.gz JRDZYWHHOOMFSB-CQSZACIVSA-N 1 0 375.332 2.998 20 0 GFADRO CN(CC1CC[NH+](C)CC1)C(=O)C(F)(F)c1ncccc1Br ZINC000906569640 663959016 /nfs/dbraw/zinc/95/90/16/663959016.db2.gz UYWYJNLOQNVGFD-UHFFFAOYSA-N 1 0 376.245 2.736 20 0 GFADRO CC[N@@H+]1CCCN(C(=O)c2ccc(Cn3cc(Br)cn3)s2)CC1 ZINC000906623797 663961318 /nfs/dbraw/zinc/96/13/18/663961318.db2.gz HGOJGEQRGIQMQB-UHFFFAOYSA-N 1 0 397.342 2.923 20 0 GFADRO O=C(Nc1cc(Cl)cc(C(F)(F)F)c1)C(=O)N1CCC[C@]12CC[NH2+]C2 ZINC000906765514 663969585 /nfs/dbraw/zinc/96/95/85/663969585.db2.gz OBGPIPNXYFHELA-OAHLLOKOSA-N 1 0 375.778 2.652 20 0 GFADRO CC(C)(C(=O)NCc1nc2cc(Br)cnc2[nH]1)[NH+]1CCCCC1 ZINC000906806601 663972804 /nfs/dbraw/zinc/97/28/04/663972804.db2.gz OENMVTMQDZQHHV-UHFFFAOYSA-N 1 0 380.290 2.601 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(F)(F)c2ncccc2Br)C1 ZINC000906912606 663981409 /nfs/dbraw/zinc/98/14/09/663981409.db2.gz DRYMTTTZVXNMKX-GHMZBOCLSA-N 1 0 376.245 2.925 20 0 GFADRO COC1CC[NH+](CCNC(=O)Cc2cc(Br)ccc2Cl)CC1 ZINC000906930306 663983508 /nfs/dbraw/zinc/98/35/08/663983508.db2.gz GBWNSHPZWLDCED-UHFFFAOYSA-N 1 0 389.721 2.872 20 0 GFADRO Cc1cc(Br)c(CC(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)s1 ZINC000906997361 663990623 /nfs/dbraw/zinc/99/06/23/663990623.db2.gz JOPGCHZCAIREDG-ZDUSSCGKSA-N 1 0 387.343 2.731 20 0 GFADRO Cc1cc(Br)ccc1CN(C)C(=O)c1ccnn1CC[NH+](C)C ZINC000907757343 664059179 /nfs/dbraw/zinc/05/91/79/664059179.db2.gz DOKSJXQBTQZWBF-UHFFFAOYSA-N 1 0 379.302 2.788 20 0 GFADRO C[C@@H](NC(=O)C1CCC([NH+]2CCOCC2)CC1)c1ccc(Br)cn1 ZINC000907894047 664069554 /nfs/dbraw/zinc/06/95/54/664069554.db2.gz MRFZWJJGUZDKBG-VQCLRJIVSA-N 1 0 396.329 2.912 20 0 GFADRO C[N@@H+]1CCC[C@@](O)(CC(=O)N[C@H]2C[C@H](c3ccc(F)c(Br)c3)C2)C1 ZINC000907938029 664072834 /nfs/dbraw/zinc/07/28/34/664072834.db2.gz IDEYVVHJBRZXIA-HBUWYVDXSA-N 1 0 399.304 2.797 20 0 GFADRO C[NH+]1CCC2(CCCN(C(=O)c3nn4c(c3Br)CCC4)C2)CC1 ZINC000907959521 664073931 /nfs/dbraw/zinc/07/39/31/664073931.db2.gz JBANAGKXRDDQNP-UHFFFAOYSA-N 1 0 381.318 2.540 20 0 GFADRO CSC1(CNC(=O)[C@H](O)c2ccccc2C(F)(F)F)CC[NH+](C)CC1 ZINC000908286569 664097381 /nfs/dbraw/zinc/09/73/81/664097381.db2.gz VLRODEPZKDLDNX-CQSZACIVSA-N 1 0 376.444 2.682 20 0 GFADRO C[C@@H](NC(=O)C[C@]1(O)CCC[N@H+](C)C1)c1ccc(C(F)(F)F)nc1Cl ZINC000908407274 664104650 /nfs/dbraw/zinc/10/46/50/664104650.db2.gz VFUUWISEQWMTEH-MEBBXXQBSA-N 1 0 379.810 2.778 20 0 GFADRO C[NH+]1CCC2(CCC(NC(=O)c3cc(Br)c[nH]c3=O)CC2)CC1 ZINC000908489658 664110218 /nfs/dbraw/zinc/11/02/18/664110218.db2.gz IFAPSTSIORSQJI-UHFFFAOYSA-N 1 0 382.302 2.934 20 0 GFADRO CC(C)[NH2+]C1(CO)CCN(C(=O)Cc2csc(-c3cccs3)n2)CC1 ZINC000908589423 664115790 /nfs/dbraw/zinc/11/57/90/664115790.db2.gz JJXGIIUOZBXLLC-UHFFFAOYSA-N 1 0 379.551 2.766 20 0 GFADRO CC(C)[NH2+]C1(CO)CCN(C(=O)c2cc(Br)cn2C(C)C)CC1 ZINC000908599102 664116363 /nfs/dbraw/zinc/11/63/63/664116363.db2.gz OPPXSMFQMALCLY-UHFFFAOYSA-N 1 0 386.334 2.797 20 0 GFADRO CC(C)[NH2+]C1(CO)CCN(C(=O)[C@@H](C)Cc2ccc(Br)cc2)CC1 ZINC000908603669 664117056 /nfs/dbraw/zinc/11/70/56/664117056.db2.gz VVXUDOSGRNVWFO-HNNXBMFYSA-N 1 0 397.357 2.979 20 0 GFADRO C[NH+](C)CCn1nccc1C(=O)N1CCC[C@H]1c1ccc(Br)cn1 ZINC000909571181 664163420 /nfs/dbraw/zinc/16/34/20/664163420.db2.gz LEMWOWMSCQLXLX-HNNXBMFYSA-N 1 0 392.301 2.580 20 0 GFADRO O=C(NCCc1cccc(Br)c1)C1CCC([NH+]2CCOCC2)CC1 ZINC000909858037 664181207 /nfs/dbraw/zinc/18/12/07/664181207.db2.gz XAINTWRUSRDGSU-UHFFFAOYSA-N 1 0 395.341 2.999 20 0 GFADRO Cc1cc(Br)oc1C(=O)N1CCC(C[N@@H+](CCO)C(C)C)CC1 ZINC000910859097 664230269 /nfs/dbraw/zinc/23/02/69/664230269.db2.gz GSCMGGBQQDCWDL-UHFFFAOYSA-N 1 0 387.318 2.905 20 0 GFADRO C[NH2+]C[C@H]1CCCN(C(=O)[C@H](C)c2ccc(I)cc2)C1 ZINC000911633971 664250917 /nfs/dbraw/zinc/25/09/17/664250917.db2.gz KSIRJWRYZBVPRU-CHWSQXEVSA-N 1 0 386.277 2.853 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C[C@@H]1c2cccc(Br)c2NC1=O ZINC000911682332 664252878 /nfs/dbraw/zinc/25/28/78/664252878.db2.gz AQKNFDDGJUVOKU-ZKYQVNSYSA-N 1 0 380.286 2.603 20 0 GFADRO COc1ccc(Br)cc1-c1nc(C(=O)N[C@@H]2CC[NH2+]C2)cs1 ZINC000911697367 664253466 /nfs/dbraw/zinc/25/34/66/664253466.db2.gz ANGKUUDQJPTLJC-SNVBAGLBSA-N 1 0 382.283 2.673 20 0 GFADRO Brc1nnc(-c2ccc(NC[C@H]3C[N@@H+]4CCC[C@@H]4CO3)cc2)o1 ZINC000911801886 664256737 /nfs/dbraw/zinc/25/67/37/664256737.db2.gz GSFSRJXBARVFSB-KGLIPLIRSA-N 1 0 379.258 2.774 20 0 GFADRO Cc1c(C(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)nnn1-c1ccccc1Br ZINC000911821415 664257225 /nfs/dbraw/zinc/25/72/25/664257225.db2.gz IOICOJOUMWECFC-YPMHNXCESA-N 1 0 392.301 2.538 20 0 GFADRO O=C(c1cnn(Cc2ccccc2)c1Br)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000911857244 664259372 /nfs/dbraw/zinc/25/93/72/664259372.db2.gz FLXKJZXXONWZEI-CABCVRRESA-N 1 0 389.297 2.660 20 0 GFADRO C[NH+]1CCC(N(CCO)C(=O)c2cc3c(Br)cccc3cn2)CC1 ZINC000911942222 664262812 /nfs/dbraw/zinc/26/28/12/664262812.db2.gz MRQWIMRGLCXDFT-UHFFFAOYSA-N 1 0 392.297 2.526 20 0 GFADRO CN(Cc1ccccc1Br)C(=O)[C@@H]1CC[NH2+][C@@H]([C@H]2CCCO2)C1 ZINC000911998676 664265517 /nfs/dbraw/zinc/26/55/17/664265517.db2.gz RYZVBGBWKPDAIA-KBRIMQKVSA-N 1 0 381.314 2.955 20 0 GFADRO CN(Cc1ccccc1Br)C(=O)[C@@H]1CC[NH2+][C@@H]([C@@H]2CCCO2)C1 ZINC000911998678 664265614 /nfs/dbraw/zinc/26/56/14/664265614.db2.gz RYZVBGBWKPDAIA-XYPHTWIQSA-N 1 0 381.314 2.955 20 0 GFADRO [NH3+]CCN1CCC[C@H](C(=O)N(Cc2cccs2)Cc2cccs2)C1=O ZINC000912084589 664269836 /nfs/dbraw/zinc/26/98/36/664269836.db2.gz XIIBGBPCXKDEJQ-INIZCTEOSA-N 1 0 377.535 2.536 20 0 GFADRO Cc1nc(-c2ccc(CCNC(=O)C3([C@H](C)[NH3+])CCOCC3)s2)cs1 ZINC000912156471 664272330 /nfs/dbraw/zinc/27/23/30/664272330.db2.gz RUTGWIVXAQHZPZ-LBPRGKRZSA-N 1 0 379.551 2.983 20 0 GFADRO CC[C@H]1CN(C(=O)C2(c3ccc(Br)cc3)CC[NH2+]CC2)CCO1 ZINC000912220429 664276378 /nfs/dbraw/zinc/27/63/78/664276378.db2.gz GALGFNYFGVAQON-INIZCTEOSA-N 1 0 381.314 2.708 20 0 GFADRO C[C@@H]1C[C@H](C(=O)N2CCN(C(=O)c3cc(Cl)cc(Cl)c3)CC2)CC[NH2+]1 ZINC000912232255 664277001 /nfs/dbraw/zinc/27/70/01/664277001.db2.gz BQUZSKNLZCCSJZ-CHWSQXEVSA-N 1 0 384.307 2.666 20 0 GFADRO C[C@@H](c1ccccc1F)N(C)C(=O)c1cc(Br)cn(CC[NH3+])c1=O ZINC000912293103 664280231 /nfs/dbraw/zinc/28/02/31/664280231.db2.gz NUJZKURLWRTPSI-NSHDSACASA-N 1 0 396.260 2.542 20 0 GFADRO CN(Cc1cccc(Br)c1)C(=O)[C@@H]1CC[NH2+][C@@H]([C@@H]2CCCO2)C1 ZINC000912342565 664282803 /nfs/dbraw/zinc/28/28/03/664282803.db2.gz IONAKXAKAFUYLB-OIISXLGYSA-N 1 0 381.314 2.955 20 0 GFADRO [NH3+]CCn1cc(Br)cc(C(=O)N2CCC[C@@H]2C2CCCCC2)c1=O ZINC000912396264 664284849 /nfs/dbraw/zinc/28/48/49/664284849.db2.gz WOCDJLVZALFLPS-MRXNPFEDSA-N 1 0 396.329 2.754 20 0 GFADRO CC(C)C[NH2+]C1(CO)CCN(C(=O)Cc2ccc(Br)cc2)CC1 ZINC000912595870 664294357 /nfs/dbraw/zinc/29/43/57/664294357.db2.gz IAVIRXAEDMTYAR-UHFFFAOYSA-N 1 0 383.330 2.591 20 0 GFADRO C[C@H]1CCC[C@H](CC[NH+](C)C)N1C(=O)c1c(Br)nc2n1CCOC2 ZINC000912649182 664295903 /nfs/dbraw/zinc/29/59/03/664295903.db2.gz PUWYMCBYGKOFPX-QWHCGFSZSA-N 1 0 399.333 2.511 20 0 GFADRO C[NH+](C)CCn1nccc1C(=O)N1CC[C@H]1c1ccc(Br)cc1 ZINC000912708544 664298846 /nfs/dbraw/zinc/29/88/46/664298846.db2.gz RWGKWOQPEXPSOI-HNNXBMFYSA-N 1 0 377.286 2.794 20 0 GFADRO O=C(c1ccc(-n2cc(Br)cn2)cc1)N1CCC([NH+]2CCC2)CC1 ZINC000912882567 664307260 /nfs/dbraw/zinc/30/72/60/664307260.db2.gz CVPRIZANFKFWDE-UHFFFAOYSA-N 1 0 389.297 2.945 20 0 GFADRO O=C(c1ccn(-c2cccc(Br)c2)n1)N1CCC([NH+]2CCC2)CC1 ZINC000912879295 664307327 /nfs/dbraw/zinc/30/73/27/664307327.db2.gz VEXDWGLNWSWXPB-UHFFFAOYSA-N 1 0 389.297 2.945 20 0 GFADRO O=C(c1cn(Cc2ccc(Cl)cc2Cl)nn1)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000912903130 664309456 /nfs/dbraw/zinc/30/94/56/664309456.db2.gz JALVOBCIJUKOND-CQSZACIVSA-N 1 0 380.279 2.553 20 0 GFADRO O=C(CCNc1ncc(C(F)(F)F)cc1Cl)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000912914959 664309943 /nfs/dbraw/zinc/30/99/43/664309943.db2.gz ASIMEDIQVIJMRI-GFCCVEGCSA-N 1 0 376.810 2.862 20 0 GFADRO O=C(c1cc(=O)[nH]c2c(Br)cccc12)N1CC[C@H]([NH+]2CCC2)C1 ZINC000912916521 664309979 /nfs/dbraw/zinc/30/99/79/664309979.db2.gz YIXCKPSFHZDNHC-NSHDSACASA-N 1 0 376.254 2.623 20 0 GFADRO O=C(C1C[NH+](C2CCOCC2)C1)N1CC(Cc2cccc(Br)c2)C1 ZINC000913093670 664322419 /nfs/dbraw/zinc/32/24/19/664322419.db2.gz RRSMKRPYXDYJPE-UHFFFAOYSA-N 1 0 393.325 2.561 20 0 GFADRO C[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1NC(=O)c1cn(C)nc1Br ZINC000913103158 664324114 /nfs/dbraw/zinc/32/41/14/664324114.db2.gz KPAVOZJQMSKYGE-CZUORRHYSA-N 1 0 391.313 2.823 20 0 GFADRO C[NH+](C)C1(C)CCN(C(=O)C(F)(F)c2ncccc2Br)CC1 ZINC000913386540 664334308 /nfs/dbraw/zinc/33/43/08/664334308.db2.gz HDXRSSIFCLVKFD-UHFFFAOYSA-N 1 0 376.245 2.879 20 0 GFADRO CN1C[C@H]2CC[C@@H](C1)N2C(=O)CCC[S@@](=O)c1ccc(Br)cc1 ZINC000913538225 664343076 /nfs/dbraw/zinc/34/30/76/664343076.db2.gz WYRHQFQLWIUUMN-HUYGQZFBSA-N 1 0 399.354 2.642 20 0 GFADRO O=C(NC12CC[NH+](CC1)C2)[C@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 ZINC000913627525 664346734 /nfs/dbraw/zinc/34/67/34/664346734.db2.gz OCTYVYORDURNCR-OAHLLOKOSA-N 1 0 382.291 2.562 20 0 GFADRO C[NH+](C)CC1(O)CCN(C(=O)c2cc3c(Br)cccc3cn2)CC1 ZINC000913677378 664348848 /nfs/dbraw/zinc/34/88/48/664348848.db2.gz MWQIADZCSJATBM-UHFFFAOYSA-N 1 0 392.297 2.526 20 0 GFADRO CN(Cc1ncc(Br)cn1)C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000913867529 664362502 /nfs/dbraw/zinc/36/25/02/664362502.db2.gz DIZLLQCZENKMEG-UHFFFAOYSA-N 1 0 384.322 2.645 20 0 GFADRO C[NH+]1CCC(NC(=O)N2CCCC[C@H]2c2ncc(Br)cn2)CC1 ZINC000913880858 664363022 /nfs/dbraw/zinc/36/30/22/664363022.db2.gz CRDAWGBLYVNYGV-AWEZNQCLSA-N 1 0 382.306 2.570 20 0 GFADRO O=S(=O)(NC1CC[NH+](C[C@H]2CCCO2)CC1)c1cscc1C(F)F ZINC000914114932 664377804 /nfs/dbraw/zinc/37/78/04/664377804.db2.gz OFEYFNQOEJQYMK-GFCCVEGCSA-N 1 0 380.482 2.607 20 0 GFADRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)S(=O)(=O)Cc1cccc(F)c1Br ZINC000914179033 664383272 /nfs/dbraw/zinc/38/32/72/664383272.db2.gz YDJQRAKOTGTWNT-SMDDNHRTSA-N 1 0 393.322 2.690 20 0 GFADRO C[C@H]1C[C@H](N(C)S(=O)(=O)Cc2cccc(F)c2Br)CC[N@@H+]1C ZINC000914179442 664383500 /nfs/dbraw/zinc/38/35/00/664383500.db2.gz LNDXQZIRMVDGKO-WCQYABFASA-N 1 0 393.322 2.833 20 0 GFADRO CC[N@@H+]1CCC[C@H](NC(=O)N2CCCC[C@H]2c2ncc(Br)cn2)C1 ZINC000914315906 664398483 /nfs/dbraw/zinc/39/84/83/664398483.db2.gz CUEKTRBCWDFZKQ-GJZGRUSLSA-N 1 0 396.333 2.960 20 0 GFADRO CC(C)[C@H](C)[N@H+](C)CN1C(=O)C(=O)N(c2ccc(Br)cc2)C1=O ZINC000915208403 664423660 /nfs/dbraw/zinc/42/36/60/664423660.db2.gz KPUPGQZIQPDHME-NSHDSACASA-N 1 0 382.258 2.678 20 0 GFADRO C[C@H](CNC(=O)CN1C(=S)N=NC1c1cccs1)[N@@H+]1CCCC[C@@H]1C ZINC000915298372 664426989 /nfs/dbraw/zinc/42/69/89/664426989.db2.gz LQKGXVDKTZRNLC-QWHCGFSZSA-N 1 0 379.555 2.674 20 0 GFADRO CC(=O)N[C@@H](CC(=O)N[C@@H](C[NH+](C)C)C(C)C)c1ccc(Br)cc1 ZINC000915624213 664435964 /nfs/dbraw/zinc/43/59/64/664435964.db2.gz MBRKKFHPQXDZFZ-IRXDYDNUSA-N 1 0 398.345 2.719 20 0 GFADRO COCCCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cscc1C(F)F ZINC000915747930 664439785 /nfs/dbraw/zinc/43/97/85/664439785.db2.gz KKKRNSABHYEXOZ-UHFFFAOYSA-N 1 0 382.498 2.807 20 0 GFADRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2ccc(Cl)c(S(C)(=O)=O)c2)C1 ZINC000916067503 664448560 /nfs/dbraw/zinc/44/85/60/664448560.db2.gz RLHZFNAXWDRJQH-ZIAGYGMSSA-N 1 0 386.945 2.841 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(S(=O)(=O)c3cc(Cl)ccc3OC(F)F)C[C@@H]2C1 ZINC000916660148 664468393 /nfs/dbraw/zinc/46/83/93/664468393.db2.gz FJHIXPUTYANBOI-MNOVXSKESA-N 1 0 380.844 2.514 20 0 GFADRO C[C@H](NC(=O)NC[C@@H]1C[N@H+](C)CCN1C)c1cc(Cl)cc(Cl)c1F ZINC000917959206 664493322 /nfs/dbraw/zinc/49/33/22/664493322.db2.gz BOUZFTUEDDPFOM-CMPLNLGQSA-N 1 0 377.291 2.739 20 0 GFADRO CO[C@@H]1CC[N@@H+]([C@@H]2CCC[C@@H]2NS(=O)(=O)c2cscc2C(F)F)C1 ZINC000918242758 664497313 /nfs/dbraw/zinc/49/73/13/664497313.db2.gz DSBMUCARFKFIKV-KGYLQXTDSA-N 1 0 380.482 2.606 20 0 GFADRO C[NH+](C)CC1CCN(C(=O)/C=C/c2ccc(I)o2)CC1 ZINC000918695472 664502898 /nfs/dbraw/zinc/50/28/98/664502898.db2.gz GZLDAVMPEKWUQI-GQCTYLIASA-N 1 0 388.249 2.698 20 0 GFADRO Cc1nc(-c2ccc(S(=O)(=O)N3CCc4[nH+]ccc(N)c4C3)s2)cs1 ZINC000918899377 664506302 /nfs/dbraw/zinc/50/63/02/664506302.db2.gz COALQTPBNDDTQP-UHFFFAOYSA-N 1 0 392.531 2.904 20 0 GFADRO Cc1n[nH]c(C(=O)NC2CC[NH+](CCc3ccccc3)CC2)c1Br ZINC000919712945 664517093 /nfs/dbraw/zinc/51/70/93/664517093.db2.gz RKLKOGYKTVEZOE-UHFFFAOYSA-N 1 0 391.313 2.918 20 0 GFADRO CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1cn(-c2ccccc2Br)nn1 ZINC000920749862 664530278 /nfs/dbraw/zinc/53/02/78/664530278.db2.gz RLIKTJSIEWKMKD-ZDUSSCGKSA-N 1 0 394.317 2.736 20 0 GFADRO CC(C)(C)[S@@](C)(=O)=NS(=O)(=O)NC1CCC(C)([NH+]2CCCC2)CC1 ZINC000921272534 664539920 /nfs/dbraw/zinc/53/99/20/664539920.db2.gz PKLOSEJVMWIPIK-HHQIGMCSSA-N 1 0 379.592 2.514 20 0 GFADRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N1CCC[C@@H]1c1ncc(Br)cn1 ZINC000921434407 664548504 /nfs/dbraw/zinc/54/85/04/664548504.db2.gz IGMSHIIZNRVSJG-KCPJHIHWSA-N 1 0 394.317 2.568 20 0 GFADRO CCn1c(Br)c(Br)nc1C[NH2+]CCCn1ccnc1 ZINC000921472978 664549746 /nfs/dbraw/zinc/54/97/46/664549746.db2.gz ZEPZZZJFOHAGPL-UHFFFAOYSA-N 1 0 391.111 2.804 20 0 GFADRO O=C(NCC[NH2+][C@@H]1CC[C@@H]2COCC[C@H]2C1)c1ccc(Br)cc1 ZINC000921576933 664554952 /nfs/dbraw/zinc/55/49/52/664554952.db2.gz CQFSCSHKQAEWID-ZMSDIMECSA-N 1 0 381.314 2.974 20 0 GFADRO Cc1nn(C)c(C[NH2+]C[C@H](O)COc2ccc(C(F)(F)F)cc2)c1Cl ZINC000921597903 664556928 /nfs/dbraw/zinc/55/69/28/664556928.db2.gz WCYVNIOLDKDNSU-LBPRGKRZSA-N 1 0 377.794 2.930 20 0 GFADRO C[C@H]1CN([C@@H](C[NH2+]Cc2nc(Br)c[nH]2)c2cccs2)CCO1 ZINC000921702343 664562205 /nfs/dbraw/zinc/56/22/05/664562205.db2.gz LNXLBKXIZXLCJU-RYUDHWBXSA-N 1 0 385.331 2.785 20 0 GFADRO CCN1CC[C@H]1C[NH2+]Cc1nc(Br)c(Br)n1CC ZINC000922336027 664595271 /nfs/dbraw/zinc/59/52/71/664595271.db2.gz YMQMOXBEHDLORU-VIFPVBQESA-N 1 0 380.128 2.612 20 0 GFADRO O=S1(=O)CC(CC[NH2+]Cc2cc3c(cc(F)cc3Br)[nH]2)C1 ZINC000922040347 664582548 /nfs/dbraw/zinc/58/25/48/664582548.db2.gz ABZRKHJDGQXTRR-UHFFFAOYSA-N 1 0 375.263 2.594 20 0 GFADRO Cn1nnc2c1CC[C@@H]([NH2+]Cc1cc3c(cc(F)cc3Br)[nH]1)C2 ZINC000922223950 664590646 /nfs/dbraw/zinc/59/06/46/664590646.db2.gz DQGSFQWNRVKMIM-SNVBAGLBSA-N 1 0 378.249 2.845 20 0 GFADRO O=C(NCC[NH2+]Cc1c(Cl)n[nH]c1C1CC1)c1ccc(Br)cn1 ZINC000922238471 664591137 /nfs/dbraw/zinc/59/11/37/664591137.db2.gz TWIVOQNJSPQEJJ-UHFFFAOYSA-N 1 0 398.692 2.618 20 0 GFADRO Cn1nc2c(c1C[NH2+][C@](C)(CO)Cc1ccc(Br)cc1)CCC2 ZINC000922303139 664594027 /nfs/dbraw/zinc/59/40/27/664594027.db2.gz IAIXAUQGRKSMQQ-SFHVURJKSA-N 1 0 378.314 2.755 20 0 GFADRO COC(OC)[C@H](C)[NH2+]Cc1cc(Br)cc(Br)c1N ZINC000922314263 664594490 /nfs/dbraw/zinc/59/44/90/664594490.db2.gz XBWCEVWYEYXSRM-ZETCQYMHSA-N 1 0 382.096 2.891 20 0 GFADRO CON(C)C(=O)C[NH2+][C@@H](C)CC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000922380741 664597952 /nfs/dbraw/zinc/59/79/52/664597952.db2.gz ZPUABXPRIPLFCU-VIFPVBQESA-N 1 0 381.782 2.685 20 0 GFADRO Cc1nc(CN[C@@H]2C[C@]3(C[N@@H+](C)[C@@H]3C(C)C)C[C@H]2O)sc1Br ZINC000922391234 664598384 /nfs/dbraw/zinc/59/83/84/664598384.db2.gz VBZKQTBJGJGNDL-ZNEHSRBWSA-N 1 0 388.375 2.783 20 0 GFADRO Cn1cc(C[NH2+]CCc2ccc3ncccc3c2)c(I)n1 ZINC000922476235 664603388 /nfs/dbraw/zinc/60/33/88/664603388.db2.gz SPYSXSJRKMFLJW-UHFFFAOYSA-N 1 0 392.244 2.905 20 0 GFADRO O=c1[nH]c(=O)n(CC(F)(F)F)cc1C[NH2+]Cc1ccsc1C(F)(F)F ZINC000922498143 664604317 /nfs/dbraw/zinc/60/43/17/664604317.db2.gz SBDFQBKUILDUIN-UHFFFAOYSA-N 1 0 387.305 2.881 20 0 GFADRO Brc1ccc2ncc(C[NH2+][C@H]3CCCN4CCSC[C@@H]34)n2c1 ZINC000922523386 664605551 /nfs/dbraw/zinc/60/55/51/664605551.db2.gz LJPBQKYWXOCERE-GJZGRUSLSA-N 1 0 381.343 2.766 20 0 GFADRO CSc1ccc([C@@H](CNC(=O)NCc2cnc(Cl)cn2)[NH+](C)C)cc1 ZINC000922638346 664609263 /nfs/dbraw/zinc/60/92/63/664609263.db2.gz FJSZWPKBZKXNQZ-OAHLLOKOSA-N 1 0 379.917 2.954 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+]C[C@H]1C[C@@H]2COC[C@@H]2O1 ZINC000922724312 664611988 /nfs/dbraw/zinc/61/19/88/664611988.db2.gz AVQZGVSSIRQRRO-XWIAVFTESA-N 1 0 392.297 2.837 20 0 GFADRO Brc1cccc(-c2c[nH]c(C[NH2+]C[C@@H]3C[C@@H]4COC[C@@H]4O3)n2)c1 ZINC000922724105 664611993 /nfs/dbraw/zinc/61/19/93/664611993.db2.gz DMDVLFGBIFCATQ-INWMFGNUSA-N 1 0 378.270 2.733 20 0 GFADRO Cc1nn(C)c(C[NH2+]C[C@@H]2[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)c1Br ZINC000922789736 664614630 /nfs/dbraw/zinc/61/46/30/664614630.db2.gz MGZXBOBHHVVRBS-XYYAHUGASA-N 1 0 399.333 2.694 20 0 GFADRO COc1ccc(C(=O)N2CCC([NH2+]C3CCOCC3)CC2)cc1Br ZINC000922853371 664616601 /nfs/dbraw/zinc/61/66/01/664616601.db2.gz PGFNYWSUWBJAIL-UHFFFAOYSA-N 1 0 397.313 2.831 20 0 GFADRO O=C(Cc1ccccc1Br)N1CCC([NH2+]C2CCOCC2)CC1 ZINC000922872372 664617256 /nfs/dbraw/zinc/61/72/56/664617256.db2.gz JRKQVYOXXCUVIF-UHFFFAOYSA-N 1 0 381.314 2.751 20 0 GFADRO Cn1cc(C[NH2+]CC[C@H]2OCCc3ccccc32)c(I)n1 ZINC000922957604 664619975 /nfs/dbraw/zinc/61/99/75/664619975.db2.gz CIYICTOFWXTXRX-OAHLLOKOSA-N 1 0 397.260 2.818 20 0 GFADRO Cc1cc(Br)cc(C[NH2+]C[C@H](O)c2ccnn2C)c1OC(F)F ZINC000922975144 664620404 /nfs/dbraw/zinc/62/04/04/664620404.db2.gz WFFKWKBLZYZSOM-ZDUSSCGKSA-N 1 0 390.228 2.916 20 0 GFADRO C[NH+](C)C1(CNC(=O)N2CCCC[C@@H]2c2ncc(Br)cn2)CC1 ZINC000922980654 664620514 /nfs/dbraw/zinc/62/05/14/664620514.db2.gz FIIGMJMGVPXAAG-CYBMUJFWSA-N 1 0 382.306 2.570 20 0 GFADRO O[C@@H]1C[C@H]([NH2+]Cc2cn(-c3ccc(Cl)cc3Cl)nn2)C12CCOCC2 ZINC000923021809 664621346 /nfs/dbraw/zinc/62/13/46/664621346.db2.gz ULLABZFAKVYOCU-JKSUJKDBSA-N 1 0 383.279 2.594 20 0 GFADRO CC1(C)C[NH2+]CCN1C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000923291281 664627614 /nfs/dbraw/zinc/62/76/14/664627614.db2.gz DHYUXLNXTWMKNC-GFCCVEGCSA-N 1 0 377.710 2.526 20 0 GFADRO COC(=O)c1cc(Br)c(CN(C)[C@@H]2CCC[NH2+]CC2)cc1OC ZINC000923335507 664628551 /nfs/dbraw/zinc/62/85/51/664628551.db2.gz QSXUVNKJXYPUIA-CYBMUJFWSA-N 1 0 385.302 2.818 20 0 GFADRO C[C@@H]1CN(C[C@@H](O)COc2ccc(Cl)cc2Br)[C@H](C)C[NH2+]1 ZINC000923360597 664628889 /nfs/dbraw/zinc/62/88/89/664628889.db2.gz CDARQAKBKFZCIX-NQBHXWOUSA-N 1 0 377.710 2.524 20 0 GFADRO CN(Cc1ncc(Br)cn1)C(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000923351762 664628899 /nfs/dbraw/zinc/62/88/99/664628899.db2.gz BGOJDDUHIXLJQE-UHFFFAOYSA-N 1 0 396.333 2.503 20 0 GFADRO OCC[NH2+][C@@H]1CCCN(Cc2ncc(-c3ccc(Br)cc3)o2)C1 ZINC000923405399 664630032 /nfs/dbraw/zinc/63/00/32/664630032.db2.gz DBXPUTQBCYGKND-OAHLLOKOSA-N 1 0 380.286 2.650 20 0 GFADRO [NH3+][C@@H]1CN(C[C@@H](O)COc2c(Cl)cccc2Cl)CC[C@@H]1C(F)(F)F ZINC000923431705 664630531 /nfs/dbraw/zinc/63/05/31/664630531.db2.gz WLSKAVNPBCSLEO-GBIKHYSHSA-N 1 0 387.229 2.945 20 0 GFADRO C[NH+](C)C[C@H](NC(=O)NCCO[C@H]1CCOC1)c1ccc(Cl)c(Cl)c1 ZINC000923449396 664630794 /nfs/dbraw/zinc/63/07/94/664630794.db2.gz NZDGGWLGTWODTE-BBRMVZONSA-N 1 0 390.311 2.701 20 0 GFADRO Cn1cc(CN2C[C@@H](C[C@@H]3COCC[NH2+]3)c3ccccc32)c(Br)n1 ZINC000923541346 664633350 /nfs/dbraw/zinc/63/33/50/664633350.db2.gz RSYFZJQUOXWMBY-UKRRQHHQSA-N 1 0 391.313 2.665 20 0 GFADRO C[C@@H]1CN(S(=O)(=O)c2ccc(Br)cc2Cl)CC[C@H]1C[NH3+] ZINC000923699913 664636387 /nfs/dbraw/zinc/63/63/87/664636387.db2.gz QCULTJGWQGVFHT-ZJUUUORDSA-N 1 0 381.723 2.708 20 0 GFADRO [NH3+]C[C@@]1(c2ccccc2)C[C@H](NS(=O)(=O)c2ccc(Cl)nc2Cl)C1 ZINC000923742095 664637403 /nfs/dbraw/zinc/63/74/03/664637403.db2.gz QRTMCYKUWHBWEZ-DRQUAOQDSA-N 1 0 386.304 2.726 20 0 GFADRO O=C(NCc1ccc(C(F)(F)F)s1)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000923971438 664642477 /nfs/dbraw/zinc/64/24/77/664642477.db2.gz GJGATDYZHQHWMK-GFCCVEGCSA-N 1 0 377.432 2.819 20 0 GFADRO C[C@@H]([NH2+]C[C@@H](c1ccccc1Cl)N(C)C)C1CCN(S(C)(=O)=O)CC1 ZINC000924551418 664657190 /nfs/dbraw/zinc/65/71/90/664657190.db2.gz LGEUTVUBRVVXQH-KDOFPFPSSA-N 1 0 387.977 2.592 20 0 GFADRO COCC[N@@H+]1CC[C@H](N2C(=O)[C@H](c3cccc(Cl)c3Cl)N(C)C2=O)C1 ZINC000924598900 664658799 /nfs/dbraw/zinc/65/87/99/664658799.db2.gz HMHFXMCULYAZBD-NHYWBVRUSA-N 1 0 386.279 2.649 20 0 GFADRO C[C@H](C[C@H]1CCC(=O)N1)[NH2+]C[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000924772450 664661354 /nfs/dbraw/zinc/66/13/54/664661354.db2.gz BMPOICKOQWLMDO-IJEWVQPXSA-N 1 0 380.330 2.922 20 0 GFADRO O[C@H](C[NH2+][C@H]1CCOC12CCOCC2)COc1cccc(Cl)c1Cl ZINC000924787688 664661742 /nfs/dbraw/zinc/66/17/42/664661742.db2.gz ZHSCWRPCGIPCPI-DOMZBBRYSA-N 1 0 376.280 2.661 20 0 GFADRO C[C@H]([NH2+]C[C@]1(N2CCOCC2)CCSC1)c1cccc(Br)n1 ZINC000924787739 664661963 /nfs/dbraw/zinc/66/19/63/664661963.db2.gz KLJFIFNKBISOOU-XJKSGUPXSA-N 1 0 386.359 2.703 20 0 GFADRO Brc1ccc(N2CC[C@@H]([NH2+][C@@H]3CCOC34CCOCC4)C2)cc1 ZINC000924938741 664664147 /nfs/dbraw/zinc/66/41/47/664664147.db2.gz MTRBBUJEQJWGES-NVXWUHKLSA-N 1 0 381.314 2.956 20 0 GFADRO C[N@@H+]1C[C@@H](O)C[C@@H]1CNC(=O)C(C)(C)Sc1ccc(Br)cc1 ZINC000924984143 664664726 /nfs/dbraw/zinc/66/47/26/664664726.db2.gz ODSXOFLXPMMSHS-OLZOCXBDSA-N 1 0 387.343 2.501 20 0 GFADRO CC[C@H]1COC[C@H]1[NH2+]CCCNC(=O)c1cc(OC)ccc1Br ZINC000925018114 664665369 /nfs/dbraw/zinc/66/53/69/664665369.db2.gz XCLZHVXAAHQIDE-BLLLJJGKSA-N 1 0 385.302 2.592 20 0 GFADRO C[C@H]([NH2+]CCC(=O)N(C)Cc1ccccc1Br)c1cn(C)cn1 ZINC000925029406 664665420 /nfs/dbraw/zinc/66/54/20/664665420.db2.gz RNAXUBVLMWRBNE-ZDUSSCGKSA-N 1 0 379.302 2.882 20 0 GFADRO C[C@H]([NH2+]CC(C)(C)c1cccs1)c1ccc(S(=O)(=O)CC(N)=O)cc1 ZINC000925067101 664666202 /nfs/dbraw/zinc/66/62/02/664666202.db2.gz LGCXZMWCQUTKIK-ZDUSSCGKSA-N 1 0 380.535 2.636 20 0 GFADRO CC[C@@H](C[NH2+][C@H]1C(=O)NCC12CCOCC2)Cc1cccc(Br)c1 ZINC000925095441 664666841 /nfs/dbraw/zinc/66/68/41/664666841.db2.gz KQEKPFDZLMJLRD-PBHICJAKSA-N 1 0 395.341 2.903 20 0 GFADRO C[C@@H]1COC[C@@H](C)C1[NH2+]CCc1ccc(S(=O)(=O)N2CCCCC2)s1 ZINC000925167649 664667705 /nfs/dbraw/zinc/66/77/05/664667705.db2.gz TZQPQHWVZVAWLZ-HUUCEWRRSA-N 1 0 386.583 2.726 20 0 GFADRO Cc1csc(C[C@@H]2CCN(C(=O)N[C@@H]3CCC[N@@H+]4CCSC[C@@H]34)C2)n1 ZINC000925170966 664667850 /nfs/dbraw/zinc/66/78/50/664667850.db2.gz SSTJWXZRAGBRKW-XHSDSOJGSA-N 1 0 380.583 2.605 20 0 GFADRO CCS[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)c1ccc(S(=O)(=O)CC(N)=O)cc1 ZINC000925228220 664669101 /nfs/dbraw/zinc/66/91/01/664669101.db2.gz XLTQEHBTJIRGTJ-RRQGHBQHSA-N 1 0 384.567 2.661 20 0 GFADRO CN(C[C@H]1CC[N@H+](C)C1)C(=O)N[C@H]1CCOc2ccc(Br)cc21 ZINC000925273293 664669540 /nfs/dbraw/zinc/66/95/40/664669540.db2.gz DLHLILHCCZBQTR-WFASDCNBSA-N 1 0 382.302 2.866 20 0 GFADRO COCCN(Cc1cc(Br)cs1)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000925331127 664670558 /nfs/dbraw/zinc/67/05/58/664670558.db2.gz CJTUQPNJSPWTGO-BXUZGUMPSA-N 1 0 390.347 2.761 20 0 GFADRO COc1ccnc([C@H](C)[NH2+]C[C@H](O)COc2ccccc2Br)c1 ZINC000925545054 664672996 /nfs/dbraw/zinc/67/29/96/664672996.db2.gz WLWOXRSICHJKQW-STQMWFEESA-N 1 0 381.270 2.943 20 0 GFADRO Cn1cc(I)c(CN[C@@H](CCC[NH3+])c2ccccc2)n1 ZINC000925687222 664673960 /nfs/dbraw/zinc/67/39/60/664673960.db2.gz GKTLHYOOFFTPOT-AWEZNQCLSA-N 1 0 384.265 2.595 20 0 GFADRO O=S1(=O)CCNC[C@H]1CC[NH2+][C@@H]1CCCOc2c(Cl)c(Cl)ccc21 ZINC000925794791 664674925 /nfs/dbraw/zinc/67/49/25/664674925.db2.gz MOYAQYJPTPTFDN-BXUZGUMPSA-N 1 0 393.336 2.573 20 0 GFADRO CC[C@@H](CSc1ccc(Cl)cc1)[NH2+]CC[C@H]1CNCCS1(=O)=O ZINC000925797092 664675040 /nfs/dbraw/zinc/67/50/40/664675040.db2.gz OXCGQMNVAMQFFF-HOCLYGCPSA-N 1 0 376.975 2.577 20 0 GFADRO COc1ccc([C@H](NCc2cn(C)nc2Br)[C@H]2CCC[NH2+]2)cc1 ZINC000925808073 664675259 /nfs/dbraw/zinc/67/52/59/664675259.db2.gz XGPBEQOMHSWUKU-CVEARBPZSA-N 1 0 379.302 2.774 20 0 GFADRO [NH3+][C@]1(CO)CCCN(C(=O)Nc2ncc(Cc3ccccc3Cl)s2)C1 ZINC000925914580 664677469 /nfs/dbraw/zinc/67/74/69/664677469.db2.gz AHKRBLBFKXVLSG-QGZVFWFLSA-N 1 0 380.901 2.705 20 0 GFADRO COC(=O)c1cc(NC(=O)N2CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C2)ccc1Cl ZINC000925945561 664677959 /nfs/dbraw/zinc/67/79/59/664677959.db2.gz XDWKWDRQHZJIHK-PWSUYJOCSA-N 1 0 379.766 2.870 20 0 GFADRO Brc1cnc2c(c1)[C@H]([NH2+]C[C@H]1COC3(CCOCC3)O1)CCC2 ZINC000925978377 664678671 /nfs/dbraw/zinc/67/86/71/664678671.db2.gz XLTPFWMRXWXOAU-XJKSGUPXSA-N 1 0 383.286 2.733 20 0 GFADRO COc1ccc(NC(=O)N[C@@H]2C[NH2+]CC3(CCOCC3)C2)c(Br)c1 ZINC000926005311 664679041 /nfs/dbraw/zinc/67/90/41/664679041.db2.gz CPEQAEHAPXAXOX-LBPRGKRZSA-N 1 0 398.301 2.738 20 0 GFADRO [NH3+]C[C@H]1CC2(CO1)CCN(C(=O)Nc1cc(Br)ccc1F)CC2 ZINC000926028595 664679416 /nfs/dbraw/zinc/67/94/16/664679416.db2.gz UFXGIWJKWKNDMD-GFCCVEGCSA-N 1 0 386.265 2.950 20 0 GFADRO O=C(Nc1ccc(F)c(Br)c1)N[C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000926045413 664679773 /nfs/dbraw/zinc/67/97/73/664679773.db2.gz IKLMNWAQXCAADL-LBPRGKRZSA-N 1 0 386.265 2.868 20 0 GFADRO CC(C)Oc1cc(Br)cc(NC(=O)N2CCC[C@]([NH3+])(CO)C2)c1 ZINC000926056136 664680187 /nfs/dbraw/zinc/68/01/87/664680187.db2.gz XBRRSQACPQRJTQ-MRXNPFEDSA-N 1 0 386.290 2.554 20 0 GFADRO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(C(=O)Nc1cc(C)ccc1Br)C2 ZINC000926081310 664681162 /nfs/dbraw/zinc/68/11/62/664681162.db2.gz YPVSZVPVIMHLIR-JKDFXYPNSA-N 1 0 396.285 2.502 20 0 GFADRO Cc1nc(Br)ccc1NC(=O)N1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000926083886 664681258 /nfs/dbraw/zinc/68/12/58/664681258.db2.gz UCGLRWRVGCWCPR-LBPRGKRZSA-N 1 0 383.290 2.514 20 0 GFADRO [NH3+][C@@H]1CN(C(=O)Nc2nc(CC(F)(F)F)cs2)CC[C@H]1C(F)(F)F ZINC000926133058 664682549 /nfs/dbraw/zinc/68/25/49/664682549.db2.gz WDFUKTGKKSBWFQ-HTQZYQBOSA-N 1 0 376.326 2.991 20 0 GFADRO Cc1cc(Br)cn2cc(CC[NH2+][C@@H](C)C[C@H]3CCC(=O)N3)nc12 ZINC000926149479 664683104 /nfs/dbraw/zinc/68/31/04/664683104.db2.gz BOHDJLIGHBJJTC-GXTWGEPZSA-N 1 0 379.302 2.595 20 0 GFADRO CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NC(=O)c1ccccc1Br)C2 ZINC000926192512 664684720 /nfs/dbraw/zinc/68/47/20/664684720.db2.gz JEMDKFDASCYXLQ-XLMAVXFVSA-N 1 0 381.314 2.659 20 0 GFADRO Cc1c(NC(=O)N(C)C[C@@H](O)C[NH3+])cc(Br)cc1C(F)(F)F ZINC000926220164 664684911 /nfs/dbraw/zinc/68/49/11/664684911.db2.gz CSNGGVOFPHAWRJ-VIFPVBQESA-N 1 0 384.196 2.560 20 0 GFADRO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NC(=O)c3ccc(Br)o3)C2)[C@H]1C(C)C ZINC000926263527 664685834 /nfs/dbraw/zinc/68/58/34/664685834.db2.gz SAUIFGVAWHVAQD-RYPCIWMOSA-N 1 0 385.302 2.642 20 0 GFADRO CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NC(=O)c3nc(Cl)ccc3Cl)C2)[C@@H]1C(C)C ZINC000926263642 664685897 /nfs/dbraw/zinc/68/58/97/664685897.db2.gz YQSYDOJAEWHSEM-MHRLRVJTSA-N 1 0 386.323 2.988 20 0 GFADRO OC[C@H](C[NH2+][C@@H]1CCOC12CCOCC2)Cc1ccc(Br)cc1 ZINC000926281779 664686067 /nfs/dbraw/zinc/68/60/67/664686067.db2.gz BATSWWMLOBDNQC-DOTOQJQBSA-N 1 0 384.314 2.528 20 0 GFADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)NCc2cc(Br)cc(OC)c2)C1 ZINC000926284789 664686262 /nfs/dbraw/zinc/68/62/62/664686262.db2.gz GSHRZTKLWOAPPD-ZDUSSCGKSA-N 1 0 384.318 2.941 20 0 GFADRO O=C1NCC2(CCOCC2)[C@@H]1[NH2+][C@H]1C[C@H](c2ccc(F)c(Br)c2)C1 ZINC000926348907 664688072 /nfs/dbraw/zinc/68/80/72/664688072.db2.gz WMTIVQVHUSRRAP-XJKCOSOUSA-N 1 0 397.288 2.719 20 0 GFADRO C[C@H]([NH2+][C@@H](CN(C)C)c1ccc(Cl)cc1)C1CCN(S(C)(=O)=O)CC1 ZINC000926375954 664688966 /nfs/dbraw/zinc/68/89/66/664688966.db2.gz ZMWIGMMXVCPYQN-KSSFIOAISA-N 1 0 387.977 2.592 20 0 GFADRO Cc1cc(C[C@@H]2CCC[C@@H]2[NH2+]CCn2cc(Br)ccc2=O)n(C)n1 ZINC000926503092 664690811 /nfs/dbraw/zinc/69/08/11/664690811.db2.gz SISQJBNCVFPJPB-YOEHRIQHSA-N 1 0 393.329 2.654 20 0 GFADRO OC1CCN(CC[NH2+][C@@H](c2ccc(Br)cc2)c2cccnc2)CC1 ZINC000926542904 664692062 /nfs/dbraw/zinc/69/20/62/664692062.db2.gz YQIVWSZUAVRFFL-IBGZPJMESA-N 1 0 390.325 2.980 20 0 GFADRO C[C@@H]([NH2+]C[C@H](CO)Cc1ccc(F)c(Br)c1)c1cc(CO)on1 ZINC000926545497 664692359 /nfs/dbraw/zinc/69/23/59/664692359.db2.gz WJWZHFSGUPZZDE-ZYHUDNBSSA-N 1 0 387.249 2.570 20 0 GFADRO C[C@@H]([NH2+]CCC[C@H]1CC1(Cl)Cl)c1ccc(S(=O)(=O)CC(N)=O)cc1 ZINC000926655996 664694682 /nfs/dbraw/zinc/69/46/82/664694682.db2.gz DUGXVMSIMWLKOZ-YPMHNXCESA-N 1 0 393.336 2.570 20 0 GFADRO C[C@@H]([NH2+]CCC[C@@H]1CC1(Cl)Cl)c1ccc(S(=O)(=O)CC(N)=O)cc1 ZINC000926655994 664694769 /nfs/dbraw/zinc/69/47/69/664694769.db2.gz DUGXVMSIMWLKOZ-DGCLKSJQSA-N 1 0 393.336 2.570 20 0 GFADRO O=C1NCC2(CCOCC2)[C@H]1[NH2+]CC1(Cc2ccc(Br)cc2)CC1 ZINC000926705366 664695616 /nfs/dbraw/zinc/69/56/16/664695616.db2.gz SXRSVRQWWCVZCQ-INIZCTEOSA-N 1 0 393.325 2.657 20 0 GFADRO CN1CC[C@H]([NH2+]C[C@H](O)[C@@H]2CCCO2)C[C@@H]1c1ccc(Br)cc1 ZINC000926748977 664696172 /nfs/dbraw/zinc/69/61/72/664696172.db2.gz JIFOSHZVQOLRTK-MHORFTMASA-N 1 0 383.330 2.714 20 0 GFADRO C[C@H]([NH2+]CCc1sccc1Br)C1CCN(S(C)(=O)=O)CC1 ZINC000926855813 664698019 /nfs/dbraw/zinc/69/80/19/664698019.db2.gz XIYKWGSNOQLKFM-NSHDSACASA-N 1 0 395.388 2.703 20 0 GFADRO Cc1cc(CC[NH2+][C@H](C)c2cc(S(N)(=O)=O)c(Cl)cc2Cl)nn1C ZINC000926911364 664699071 /nfs/dbraw/zinc/69/90/71/664699071.db2.gz OXMXDGKTWAZVHU-SNVBAGLBSA-N 1 0 391.324 2.576 20 0 GFADRO O=S1(=O)CC[C@H]([NH2+]C[C@H]2CCCN2CC(F)(F)F)c2cc(F)ccc21 ZINC000926923629 664699176 /nfs/dbraw/zinc/69/91/76/664699176.db2.gz XHCBNEHPKQAGEM-OCCSQVGLSA-N 1 0 380.407 2.661 20 0 GFADRO C[C@@H]([NH2+]CCc1nc2c(s1)CCC2)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000926931460 664699244 /nfs/dbraw/zinc/69/92/44/664699244.db2.gz BSBKVVJJGSTLDQ-CYBMUJFWSA-N 1 0 379.551 2.775 20 0 GFADRO Brc1cccc([C@H]([NH2+]C[C@H]2C[C@@H]3COC[C@@H]3O2)[C@H]2CCOC2)c1 ZINC000926944046 664699388 /nfs/dbraw/zinc/69/93/88/664699388.db2.gz YBEOBLAKIJLIQO-QYKUSJBESA-N 1 0 382.298 2.920 20 0 GFADRO C[C@H]([NH2+]CC1(n2cc(Br)cn2)CC1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000927006520 664702018 /nfs/dbraw/zinc/70/20/18/664702018.db2.gz UAYZYNIDAQORLC-LBPRGKRZSA-N 1 0 399.333 2.980 20 0 GFADRO Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)[NH2+]C[C@H](O)CS(C)(=O)=O ZINC000927035314 664702781 /nfs/dbraw/zinc/70/27/81/664702781.db2.gz VELQTHYPCRSBIY-HZMBPMFUSA-N 1 0 388.942 2.828 20 0 GFADRO Cn1cc(CNC(=O)c2cccc(C[NH+]3CCCC3)c2)c(Br)n1 ZINC000927630543 664712538 /nfs/dbraw/zinc/71/25/38/664712538.db2.gz NSGIHKRKFAHBBV-UHFFFAOYSA-N 1 0 377.286 2.708 20 0 GFADRO CN(Cc1ccc(Br)cc1)C(=O)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000927644601 664713376 /nfs/dbraw/zinc/71/33/76/664713376.db2.gz JIASRRJSXNQUJW-KRWDZBQOSA-N 1 0 396.329 2.844 20 0 GFADRO CO[C@H](C(=O)NCc1cc(N(C)C)cc[nH+]1)c1ccccc1Br ZINC000927693969 664714010 /nfs/dbraw/zinc/71/40/10/664714010.db2.gz BUNVUSWDQKKDOL-INIZCTEOSA-N 1 0 378.270 2.914 20 0 GFADRO COc1c(Br)ccc(F)c1C(=O)NCc1cc(N(C)C)cc[nH+]1 ZINC000927696327 664714175 /nfs/dbraw/zinc/71/41/75/664714175.db2.gz WQSQVWFLKGECMD-UHFFFAOYSA-N 1 0 382.233 2.988 20 0 GFADRO [NH3+]CC1CCN(C(=O)c2ccc(Cn3cc(Br)cn3)s2)CC1 ZINC000927768514 664715588 /nfs/dbraw/zinc/71/55/88/664715588.db2.gz SLZPJZQWRTULKS-UHFFFAOYSA-N 1 0 383.315 2.566 20 0 GFADRO Cc1c(NC(=O)C(=O)N[C@@H](C)CC[NH3+])cc(Br)cc1C(F)(F)F ZINC000927794833 664716011 /nfs/dbraw/zinc/71/60/11/664716011.db2.gz KYYTWVKHWTZKHV-ZETCQYMHSA-N 1 0 396.207 2.568 20 0 GFADRO C[NH2+]CCN(C(=O)C(=O)Nc1cc(F)ccc1SCC(F)F)C(C)C ZINC000927863906 664716856 /nfs/dbraw/zinc/71/68/56/664716856.db2.gz VZCZGMFPTNWHPV-UHFFFAOYSA-N 1 0 377.432 2.578 20 0 GFADRO C[NH2+]CCN(C(=O)C(=O)Nc1cccnc1-c1ccc(Cl)s1)C(C)C ZINC000927865641 664716911 /nfs/dbraw/zinc/71/69/11/664716911.db2.gz WJPMOFVFIQGUGI-UHFFFAOYSA-N 1 0 380.901 2.858 20 0 GFADRO [NH3+]CC[C@@H]1CCN(C(=O)C(=O)Nc2ccc3cc(Br)ccc3c2)C1 ZINC000927888000 664717314 /nfs/dbraw/zinc/71/73/14/664717314.db2.gz ZDIFGCQUKRSTFB-GFCCVEGCSA-N 1 0 390.281 2.738 20 0 GFADRO O=C(Cc1csc(CCC(F)(F)F)n1)N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000928099565 664723292 /nfs/dbraw/zinc/72/32/92/664723292.db2.gz DLRKXNNATARNFF-QWHCGFSZSA-N 1 0 393.500 2.877 20 0 GFADRO C[N@@H+]1CC[C@@H]1CNC(=O)Cc1ccc(Br)c(Br)c1 ZINC000928552273 664734991 /nfs/dbraw/zinc/73/49/91/664734991.db2.gz SJAYJBWERHOYIE-SNVBAGLBSA-N 1 0 376.092 2.574 20 0 GFADRO O=C(NCC(F)(F)F)C1CC[NH+](C[C@H]2CCC[C@H](C(F)(F)F)O2)CC1 ZINC000929166937 664747535 /nfs/dbraw/zinc/74/75/35/664747535.db2.gz XDGRFEMHPDSERE-VXGBXAGGSA-N 1 0 376.341 2.877 20 0 GFADRO CC(C)(C)[NH2+]CCC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 ZINC000929307638 664749847 /nfs/dbraw/zinc/74/98/47/664749847.db2.gz RIMNNJIFBJPWDF-UHFFFAOYSA-N 1 0 387.933 2.841 20 0 GFADRO O=C(C[C@H]1C(=O)Nc2ccc(Br)cc21)NC1CC[NH+](C2CC2)CC1 ZINC000929619176 664754871 /nfs/dbraw/zinc/75/48/71/664754871.db2.gz KXWRNIZFVKJGDW-OAHLLOKOSA-N 1 0 392.297 2.618 20 0 GFADRO CS(=O)(=O)N1CC(C[NH+]2CCC(c3nc4cc(Cl)ccc4o3)CC2)C1 ZINC000929883286 664759063 /nfs/dbraw/zinc/75/90/63/664759063.db2.gz HTZJVURYJHHYTJ-UHFFFAOYSA-N 1 0 383.901 2.552 20 0 GFADRO CC(C)([NH2+]Cc1ccc(Br)nc1N)C(=O)NCC1CCCCC1 ZINC000930150215 664763428 /nfs/dbraw/zinc/76/34/28/664763428.db2.gz FFPRDLXSIOBGMA-UHFFFAOYSA-N 1 0 383.334 2.991 20 0 GFADRO COC(=O)c1cc(Br)c(C[N@H+](C)[C@H]2CC[C@H](O)CC2)cc1OC ZINC000930249248 664765155 /nfs/dbraw/zinc/76/51/55/664765155.db2.gz VRAIMXZBRGGCRG-JOCQHMNTSA-N 1 0 386.286 2.980 20 0 GFADRO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)Nc2nnc(CC(F)(F)F)s2)C1 ZINC000930427644 664770292 /nfs/dbraw/zinc/77/02/92/664770292.db2.gz YQCOEWACELSVLX-LLVKDONJSA-N 1 0 377.436 2.839 20 0 GFADRO COC(=O)c1ccc(Br)c(C[NH2+][C@H](C)C2(OC)CCOCC2)c1 ZINC000930755642 664777681 /nfs/dbraw/zinc/77/76/81/664777681.db2.gz JKLLOUJDUHVJMR-GFCCVEGCSA-N 1 0 386.286 2.909 20 0 GFADRO Cc1cccc(NC(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)c1Br ZINC000930884582 664780218 /nfs/dbraw/zinc/78/02/18/664780218.db2.gz FVMBRABRKOQCOV-LSDHHAIUSA-N 1 0 382.302 2.820 20 0 GFADRO C[C@@H]1CC[C@@H](C(N)=O)[C@@H](C)[N@@H+]1CCC(=O)Nc1ccccc1Br ZINC000930910606 664780759 /nfs/dbraw/zinc/78/07/59/664780759.db2.gz ZIQHVIKCEARMAC-JHJVBQTASA-N 1 0 382.302 2.752 20 0 GFADRO C[C@@H]1CC[C@@H](C(N)=O)[C@H](C)[N@@H+]1Cc1nnc(-c2ccc(Br)o2)o1 ZINC000930917376 664780865 /nfs/dbraw/zinc/78/08/65/664780865.db2.gz WCEUETDLINGKME-KXUCPTDWSA-N 1 0 383.246 2.566 20 0 GFADRO C[N@@H+]1CC[C@@H]1CNC(=O)Nc1ccnn1Cc1ccccc1Br ZINC000930947365 664781798 /nfs/dbraw/zinc/78/17/98/664781798.db2.gz LJXYVYOUHDLIFS-CYBMUJFWSA-N 1 0 378.274 2.520 20 0 GFADRO C[C@@H]1[C@@H]([NH+](C)C)CCN1Cc1nc(Cc2cccc(Br)c2)no1 ZINC000931043210 664783890 /nfs/dbraw/zinc/78/38/90/664783890.db2.gz PQIAYMOWUWCMDW-DOMZBBRYSA-N 1 0 379.302 2.947 20 0 GFADRO COC(=O)c1c(Br)ccc(NC(=O)N[C@H]2CC[N@H+](C)[C@@H]2C)c1C ZINC000931079840 664784754 /nfs/dbraw/zinc/78/47/54/664784754.db2.gz DEQZWDZKJDALNH-MFKMUULPSA-N 1 0 384.274 2.758 20 0 GFADRO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)c1cc(=O)n(C)cc1Br ZINC000931294162 664790779 /nfs/dbraw/zinc/79/07/79/664790779.db2.gz FVJOPEXTMYRTAI-ZDUSSCGKSA-N 1 0 384.318 2.532 20 0 GFADRO CCC1([NH+]2CCOCC2)CCN(Cc2ccc(Br)nc2N)CC1 ZINC000931329657 664791889 /nfs/dbraw/zinc/79/18/89/664791889.db2.gz WEGYNEYLRDGTHX-UHFFFAOYSA-N 1 0 383.334 2.503 20 0 GFADRO Cc1cc(CN2CC[NH+](CCc3ccncc3)CC2)cnc1Br ZINC000931339099 664792166 /nfs/dbraw/zinc/79/21/66/664792166.db2.gz QJNCCLSFDMGPDJ-UHFFFAOYSA-N 1 0 375.314 2.908 20 0 GFADRO CNS(=O)(=O)C[C@H]1CCC[N@H+](Cc2cccc(C)c2Br)C1 ZINC000931338823 664792208 /nfs/dbraw/zinc/79/22/08/664792208.db2.gz TVMZOTMERQAXFX-ZDUSSCGKSA-N 1 0 375.332 2.519 20 0 GFADRO C[NH+](C)C1(CNC(=O)Nc2ccc3nccnc3c2Br)CCC1 ZINC000931389822 664793388 /nfs/dbraw/zinc/79/33/88/664793388.db2.gz JNXPXTMUGKKYSA-UHFFFAOYSA-N 1 0 378.274 2.998 20 0 GFADRO Cc1ccc([C@H](CNC(=O)c2c(C)[nH]nc2Br)[NH+]2CCCC2)o1 ZINC000931470339 664795785 /nfs/dbraw/zinc/79/57/85/664795785.db2.gz DGWFJRXRUPNIKN-LBPRGKRZSA-N 1 0 381.274 2.949 20 0 GFADRO O=C(NCC[NH+]1CCC(O)CC1)Nc1cc(Cl)ccc1OC(F)(F)F ZINC000931559109 664798845 /nfs/dbraw/zinc/79/88/45/664798845.db2.gz CIIZTGHZGUWCPS-UHFFFAOYSA-N 1 0 381.782 2.817 20 0 GFADRO CN(Cc1ccc(Br)nc1N)C[C@H]1CN(c2ccccc2)C(=O)O1 ZINC000931617723 664800800 /nfs/dbraw/zinc/80/08/00/664800800.db2.gz MXWKBPGDKIZGAO-AWEZNQCLSA-N 1 0 391.269 2.884 20 0 GFADRO COC[C@@H]([NH2+]Cc1cc(C(=O)OC)ccc1Br)[C@H]1CCCOC1 ZINC000931754584 664804350 /nfs/dbraw/zinc/80/43/50/664804350.db2.gz HIERKQJUXVOGJS-XJKSGUPXSA-N 1 0 386.286 2.767 20 0 GFADRO CC(C)(C)OC(=O)N1CCO[C@]2(CC[N@H+](CC3(Br)CC3)C2)C1 ZINC000931858140 664805981 /nfs/dbraw/zinc/80/59/81/664805981.db2.gz VZKSFGDGDDNBCG-INIZCTEOSA-N 1 0 375.307 2.626 20 0 GFADRO C[NH+](C)C[C@H]1CCCCN1C(=O)C[C@H]1C(=O)Nc2c1cccc2Br ZINC000931906299 664807114 /nfs/dbraw/zinc/80/71/14/664807114.db2.gz RYQXFYJFGZLVRR-TZMCWYRMSA-N 1 0 394.313 2.818 20 0 GFADRO Cc1[nH]nc(Br)c1C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000931903912 664807180 /nfs/dbraw/zinc/80/71/80/664807180.db2.gz CXIUSDHTBJCDKB-OAHLLOKOSA-N 1 0 391.313 2.775 20 0 GFADRO Brc1cc2c(cc1C[N@@H+]1CC[C@@H](C3OCCO3)C1)OCCCO2 ZINC000932003541 664808533 /nfs/dbraw/zinc/80/85/33/664808533.db2.gz RLPWFANMXAZDRI-GFCCVEGCSA-N 1 0 384.270 2.805 20 0 GFADRO C[C@]1([C@@H]2CCC[N@H+](CC(=O)Nc3ccc(Br)cc3)C2)COC(=O)N1 ZINC000932025171 664809095 /nfs/dbraw/zinc/80/90/95/664809095.db2.gz XFNYOZFMDYNYOI-SJKOYZFVSA-N 1 0 396.285 2.598 20 0 GFADRO CN(Cc1ccc(Cl)s1)C(=O)C[N@@H+]1CCC[C@@H]([C@@]2(C)COC(=O)N2)C1 ZINC000932030017 664809247 /nfs/dbraw/zinc/80/92/47/664809247.db2.gz GLUXGLRZAWMWER-SJKOYZFVSA-N 1 0 385.917 2.570 20 0 GFADRO Cn1nc(C(F)(F)F)c(NC(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@@H]23)c1Cl ZINC000932089547 664809906 /nfs/dbraw/zinc/80/99/06/664809906.db2.gz SSVFRUULDUWKMV-BDAKNGLRSA-N 1 0 397.854 2.794 20 0 GFADRO O=C(c1ccc2c(Br)cnn2c1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000932239287 664815571 /nfs/dbraw/zinc/81/55/71/664815571.db2.gz WXBZABQZCMOIGL-CQSZACIVSA-N 1 0 377.286 2.797 20 0 GFADRO CN(CCCN1CC[NH+](C)CC1)C(=O)C/C=C\c1ccc(Br)cc1 ZINC000932474451 664822851 /nfs/dbraw/zinc/82/28/51/664822851.db2.gz KALXYMIUIGWAAM-HYXAFXHYSA-N 1 0 394.357 2.948 20 0 GFADRO O=C1NCCC2(CC[NH+](C[C@@H](O)COc3ccc(Cl)c(Cl)c3)CC2)O1 ZINC000932767267 664835997 /nfs/dbraw/zinc/83/59/97/664835997.db2.gz OFXZGLOLCDWMML-GFCCVEGCSA-N 1 0 389.279 2.698 20 0 GFADRO Cc1ncc(NC(=O)NCCN2CCC([NH+](C)C)CC2)c(C)c1Br ZINC000932780808 664837968 /nfs/dbraw/zinc/83/79/68/664837968.db2.gz IWGGQZJFAAGXER-UHFFFAOYSA-N 1 0 398.349 2.608 20 0 GFADRO O=C1N[C@H](C2CC[NH+](C[C@@H](O)COc3c(Cl)cccc3Cl)CC2)CO1 ZINC000932784389 664838323 /nfs/dbraw/zinc/83/83/23/664838323.db2.gz JNQUNRXZCRMONT-DOMZBBRYSA-N 1 0 389.279 2.554 20 0 GFADRO C[NH+](C)C[C@@H]1CCN(C(=O)c2cnn(Cc3ccccc3)c2Br)C1 ZINC000932796302 664839081 /nfs/dbraw/zinc/83/90/81/664839081.db2.gz XEURETHVFOBHGB-HNNXBMFYSA-N 1 0 391.313 2.718 20 0 GFADRO C[C@H](C(=O)N1CC[C@@H](C[NH+](C)C)C1)c1ccc(I)cc1 ZINC000932796264 664839151 /nfs/dbraw/zinc/83/91/51/664839151.db2.gz WHFUPUAMSTWPBW-STQMWFEESA-N 1 0 386.277 2.805 20 0 GFADRO Cc1cccc(S(=O)(=O)CCCN2CCC(CO)(C(F)(F)F)CC2)c1 ZINC000932828109 664841095 /nfs/dbraw/zinc/84/10/95/664841095.db2.gz ODCBJDJCBHKAGN-UHFFFAOYSA-N 1 0 379.444 2.796 20 0 GFADRO NS(=O)(=O)C[C@@H]1CC[N@H+](Cc2ccc(-c3ccc(Br)cc3)o2)C1 ZINC000932956047 664845204 /nfs/dbraw/zinc/84/52/04/664845204.db2.gz CXWDVHBSJSFYJG-GFCCVEGCSA-N 1 0 399.310 2.820 20 0 GFADRO C[NH+](C)CCN(Cc1cccs1)C(=O)N[C@@H]([C@H]1CCOC1)C(F)(F)F ZINC000933014895 664847040 /nfs/dbraw/zinc/84/70/40/664847040.db2.gz RFVGYTRXQXYBNP-JSGCOSHPSA-N 1 0 379.448 2.789 20 0 GFADRO C[NH+](C)CCN(Cc1cccs1)C(=O)N[C@@H]([C@@H]1CCOC1)C(F)(F)F ZINC000933014896 664847055 /nfs/dbraw/zinc/84/70/55/664847055.db2.gz RFVGYTRXQXYBNP-OCCSQVGLSA-N 1 0 379.448 2.789 20 0 GFADRO C[C@@H]1C[C@@H](N(C)C(=O)c2cc3cc(Br)cnc3n2C)CC[N@@H+]1C ZINC000933438707 664864221 /nfs/dbraw/zinc/86/42/21/664864221.db2.gz BQEHZFQXCITFHF-RISCZKNCSA-N 1 0 379.302 2.891 20 0 GFADRO COC(=O)c1cncc(C[NH2+][C@@](C)(CO)Cc2ccc(Br)cc2)c1 ZINC000933440673 664864477 /nfs/dbraw/zinc/86/44/77/664864477.db2.gz MPOIQFUPVMKTCH-GOSISDBHSA-N 1 0 393.281 2.714 20 0 GFADRO C[C@@H]1C[C@H](N(C)C(=O)C[C@@H]2C(=O)Nc3ccc(Br)cc32)CC[N@@H+]1C ZINC000933447169 664865041 /nfs/dbraw/zinc/86/50/41/664865041.db2.gz VBLYNPVDKSLRJV-KYOSRNDESA-N 1 0 394.313 2.816 20 0 GFADRO O=C(CC[N@@H+]1CCOC[C@@H]1C[C@@H]1CCOC1)Nc1ccc(Br)cc1 ZINC000933672059 664872203 /nfs/dbraw/zinc/87/22/03/664872203.db2.gz HDMKYAKEMJDOBU-YOEHRIQHSA-N 1 0 397.313 2.905 20 0 GFADRO C[NH+](C)[C@]1(CNC(=O)c2cc(Br)c3nccnc3c2)CCSC1 ZINC000934080585 664889588 /nfs/dbraw/zinc/88/95/88/664889588.db2.gz XTBQCTKSQCGUTL-INIZCTEOSA-N 1 0 395.326 2.559 20 0 GFADRO CC(C)(C)OC(=O)N1CC(N2CC[NH+](C[C@]3(C)CC3(Cl)Cl)CC2)C1 ZINC000934099323 664889787 /nfs/dbraw/zinc/88/97/87/664889787.db2.gz YAEPUMIORNTITM-INIZCTEOSA-N 1 0 378.344 2.807 20 0 GFADRO O[C@H](C[NH2+][C@H]1CCOC12CCOCC2)COc1cc(Cl)ccc1Cl ZINC000934408446 664906250 /nfs/dbraw/zinc/90/62/50/664906250.db2.gz CTGHDECJIDRSIP-CJNGLKHVSA-N 1 0 376.280 2.661 20 0 GFADRO C[C@](CO)([NH2+]C[C@@H]1CC2(CO1)CCOCC2)c1cccc(Br)c1 ZINC000934494442 664908676 /nfs/dbraw/zinc/90/86/76/664908676.db2.gz INFIELGKJZDIJM-DLBZAZTESA-N 1 0 384.314 2.832 20 0 GFADRO CNC(=O)c1cccc(C[NH2+][C@@](C)(CO)c2cccc(Br)c2)c1 ZINC000934497841 664909342 /nfs/dbraw/zinc/90/93/42/664909342.db2.gz QHKNWYAVBCWFDX-SFHVURJKSA-N 1 0 377.282 2.806 20 0 GFADRO Cc1[nH]nc(Br)c1C(=O)N[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000934571620 664911962 /nfs/dbraw/zinc/91/19/62/664911962.db2.gz XIDDHBDZAOLIAD-SMDDNHRTSA-N 1 0 377.286 2.873 20 0 GFADRO COCCSCCC[NH2+][C@@H](CO)c1ccccc1I ZINC000934826260 664924343 /nfs/dbraw/zinc/92/43/43/664924343.db2.gz ATHLBODSEQBJQF-AWEZNQCLSA-N 1 0 395.306 2.684 20 0 GFADRO Cc1ccc([C@H](O)C[NH2+][C@H](CO)c2ccccc2I)cc1 ZINC000934829755 664926327 /nfs/dbraw/zinc/92/63/27/664926327.db2.gz SXJWNFJUCYDKRV-IAGOWNOFSA-N 1 0 397.256 2.956 20 0 GFADRO COc1cc(Br)cc(C(=O)N2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)c1 ZINC000935019271 664934392 /nfs/dbraw/zinc/93/43/92/664934392.db2.gz UUHHJCUMGAXLMV-BHYGNILZSA-N 1 0 397.313 2.781 20 0 GFADRO C[C@@H](NC(=O)C1(n2cc(Br)cn2)CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000935313819 664953067 /nfs/dbraw/zinc/95/30/67/664953067.db2.gz AGFZYRAAFGKLGJ-KGLIPLIRSA-N 1 0 395.345 2.904 20 0 GFADRO C[C@@H](NC(=O)[C@@](C)(O)c1ccc(F)c(Br)c1)C1=CC[N@H+](C)CC1 ZINC000935316574 664953394 /nfs/dbraw/zinc/95/33/94/664953394.db2.gz UMYLPTNIDHNWIP-DIFFPNOSSA-N 1 0 385.277 2.562 20 0 GFADRO O=C(NC1CC([NH+]2CCCCC2)C1)c1ccc2c(Br)cnn2c1 ZINC000935760527 664987093 /nfs/dbraw/zinc/98/70/93/664987093.db2.gz IQJNGPXVPRAANJ-UHFFFAOYSA-N 1 0 377.286 2.844 20 0 GFADRO Cc1c(Br)cc(F)cc1C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000935818747 664990700 /nfs/dbraw/zinc/99/07/00/664990700.db2.gz JJTALIQOGFEWJF-UHFFFAOYSA-N 1 0 386.309 2.652 20 0 GFADRO C[NH+](C)C1CC(NC(=O)c2cnn(Cc3ccccc3)c2Br)C1 ZINC000935830311 664991493 /nfs/dbraw/zinc/99/14/93/664991493.db2.gz VAKWDBJRYODTDO-UHFFFAOYSA-N 1 0 377.286 2.516 20 0 GFADRO C[C@H]1CC[N@H+](CC(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2cc(Cl)cs2)C3)C1 ZINC000996389029 665031072 /nfs/dbraw/zinc/03/10/72/665031072.db2.gz WUXGBTGHSKZZHE-ATGSNQNLSA-N 1 0 381.929 2.605 20 0 GFADRO Cc1csc(Cl)c1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C2 ZINC000996537483 665032703 /nfs/dbraw/zinc/03/27/03/665032703.db2.gz GSJJJOCBIMBVRL-CRWXNKLISA-N 1 0 381.929 2.523 20 0 GFADRO C[C@@H]1CCC[N@@H+]1CC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1sccc1Cl)C2 ZINC000997303567 665035552 /nfs/dbraw/zinc/03/55/52/665035552.db2.gz YMYXOKGCNNOMLN-UXOAXIEHSA-N 1 0 381.929 2.748 20 0 GFADRO C[N@@H+]1CC[C@H](CC(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ccc(Cl)s2)C3)C1 ZINC001000585622 665047376 /nfs/dbraw/zinc/04/73/76/665047376.db2.gz JYZLQVVSLQBKKO-MQYQWHSLSA-N 1 0 381.929 2.605 20 0 GFADRO Cc1csc(Cl)c1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[N@H+]1C)C2 ZINC001001697764 665052392 /nfs/dbraw/zinc/05/23/92/665052392.db2.gz HVZVZMJKYVRDLT-YIYPIFLZSA-N 1 0 381.929 2.666 20 0 GFADRO Cc1csc(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C3)c1Cl ZINC001002792161 665057436 /nfs/dbraw/zinc/05/74/36/665057436.db2.gz VQMSBFRSWPDNRL-SYQHCUMBSA-N 1 0 381.929 2.523 20 0 GFADRO C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2csc(Cl)c2)C1 ZINC001004359472 665063949 /nfs/dbraw/zinc/06/39/49/665063949.db2.gz IFBYJOOJGQSNHV-MYPMTAMASA-N 1 0 381.929 2.605 20 0 GFADRO O=C(N[C@H]1C[C@H]([NH2+]Cc2cccc(Br)c2)C1)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001020612941 665073212 /nfs/dbraw/zinc/07/32/12/665073212.db2.gz HOCRQKXDYXJFIN-HHARLNAUSA-N 1 0 379.298 2.753 20 0 GFADRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2ccccc2Br)C1)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001022746042 665074130 /nfs/dbraw/zinc/07/41/30/665074130.db2.gz CCNGEYNMQZIGGN-YCCFLXJFSA-N 1 0 379.298 2.753 20 0 GFADRO Cc1c(Br)cccc1NC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000120723844 677397703 /nfs/dbraw/zinc/39/77/03/677397703.db2.gz ABUVOPYKEKPFCK-CZUORRHYSA-N 1 0 394.313 2.639 20 0 GFADRO O=S1(=O)CCC(C[NH2+]Cc2nc(-c3ccc(Br)cc3)c[nH]2)CC1 ZINC000120852969 677398096 /nfs/dbraw/zinc/39/80/96/677398096.db2.gz HQNQYCJWOJGBNQ-UHFFFAOYSA-N 1 0 398.326 2.754 20 0 GFADRO C[C@H](Cc1ccc(Br)cc1)[NH2+]Cc1cccc(S(N)(=O)=O)c1 ZINC000389247793 677408234 /nfs/dbraw/zinc/40/82/34/677408234.db2.gz FSJWAQIWEKFHJW-GFCCVEGCSA-N 1 0 383.311 2.817 20 0 GFADRO COc1cccc([C@H](CNC(=O)c2ccnc(Br)c2)[NH+](C)C)c1 ZINC000391493831 677409270 /nfs/dbraw/zinc/40/92/70/677409270.db2.gz FWEMGEWQXFMGBU-HNNXBMFYSA-N 1 0 378.270 2.885 20 0 GFADRO COc1c(Br)cc(Cl)cc1S(=O)(=O)N[C@@H](C)CCC[NH3+] ZINC000394283348 677411029 /nfs/dbraw/zinc/41/10/29/677411029.db2.gz UPQKQOXETQZZPT-QMMMGPOBSA-N 1 0 385.711 2.517 20 0 GFADRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)Nc1ccnn1-c1ccc(Br)cn1 ZINC000579223504 677673358 /nfs/dbraw/zinc/67/33/58/677673358.db2.gz PNJFCMSNKDZGDL-ZDUSSCGKSA-N 1 0 393.289 2.588 20 0 GFADRO CO[C@@H]1C[C@H]([N@H+](C)Cc2cc(=O)n3cc(Br)ccc3n2)C12CCC2 ZINC000579556054 677673402 /nfs/dbraw/zinc/67/34/02/677673402.db2.gz GVEHGUDHDIRABY-LSDHHAIUSA-N 1 0 392.297 2.846 20 0 GFADRO C[C@@H]([NH2+][C@@H](CO)C1CCOCC1)c1ccc(I)cc1 ZINC000580237305 677673898 /nfs/dbraw/zinc/67/38/98/677673898.db2.gz KDJUNMUJUSWSMP-ABAIWWIYSA-N 1 0 375.250 2.729 20 0 GFADRO OC[C@H]1CC[N@H+](Cc2c(-c3ccc(Cl)cc3)nc3sccn23)C[C@@H]1O ZINC000580252504 677673920 /nfs/dbraw/zinc/67/39/20/677673920.db2.gz AGRNGKFYBCZFFI-CJNGLKHVSA-N 1 0 377.897 2.891 20 0 GFADRO O[C@@H](C[NH2+][C@H]1CCN(CC(F)(F)F)C1)COc1ccc(Cl)cc1Cl ZINC000580314245 677674150 /nfs/dbraw/zinc/67/41/50/677674150.db2.gz HZSALTBQBJTRBW-RYUDHWBXSA-N 1 0 387.229 2.959 20 0 GFADRO FC(F)(c1ccc(-c2ccc(Cl)nn2)cc1)N1CC[C@@H]2[NH2+]CCO[C@H]2C1 ZINC001164389351 718824918 /nfs/dbraw/zinc/82/49/18/718824918.db2.gz HXARPSYVDAIVAY-HOTGVXAUSA-N 1 0 380.826 2.909 20 0 GFADRO FC(F)(c1ccc(-c2ccc(Cl)nn2)cc1)N1CC[C@@H]2[NH2+]CCO[C@@H]2C1 ZINC001164389354 718825001 /nfs/dbraw/zinc/82/50/01/718825001.db2.gz HXARPSYVDAIVAY-JKSUJKDBSA-N 1 0 380.826 2.909 20 0 GFADRO Cc1ccc(-c2cc(C(F)(F)N3CCOCC34C[NH2+]C4)c(Cl)nn2)cc1 ZINC001164405457 718861143 /nfs/dbraw/zinc/86/11/43/718861143.db2.gz SDVBZLACROESRD-UHFFFAOYSA-N 1 0 380.826 2.829 20 0 GFADRO C[Si](C)(C)c1ccc(C(F)(F)N2CCO[C@@H]3C[NH2+]CC[C@H]3C2)nc1Cl ZINC001164407139 718863242 /nfs/dbraw/zinc/86/32/42/718863242.db2.gz JIXHIMRNMLVZED-QWHCGFSZSA-N 1 0 389.950 2.640 20 0 GFADRO CN1CCc2nc(Cl)nc(N3[C@H](C(F)(F)F)CCC34CC[NH2+]CC4)c2C1 ZINC001164413312 718881784 /nfs/dbraw/zinc/88/17/84/718881784.db2.gz HIJDVBLFLSXBEE-ZDUSSCGKSA-N 1 0 389.853 2.771 20 0 GFADRO CCOC(=O)C1CC[NH+](C2CCN(c3nc4ccccc4nc3OC)CC2)CC1 ZINC001164613810 719023931 /nfs/dbraw/zinc/02/39/31/719023931.db2.gz FRJCNFBTPQGKMG-UHFFFAOYSA-N 1 0 398.507 2.882 20 0 GFADRO COC(=O)/C=C\c1ccc(NC(=O)C(C)(C)C)c(N2C[C@H](C)[N@H+](C)C[C@@H]2C)n1 ZINC001164641739 719222587 /nfs/dbraw/zinc/22/25/87/719222587.db2.gz UYJFMLOTNPRYMT-ACVZPDSXSA-N 1 0 388.512 2.781 20 0 GFADRO Cc1c(C)n(Cc2ccccc2)c2ncnc(N3C[C@H]4OCC[N@@H+](C)[C@@H]4C3)c12 ZINC001164673838 719442250 /nfs/dbraw/zinc/44/22/50/719442250.db2.gz UVISFKVBFVMKJS-RTBURBONSA-N 1 0 377.492 2.616 20 0 GFADRO C[N@@H+]1CCO[C@H]2CN(c3nc(-c4ccc(Cl)s4)nc4c3CCC4)C[C@@H]21 ZINC001164670736 719465866 /nfs/dbraw/zinc/46/58/66/719465866.db2.gz YDMNOVDDQGOURQ-KBPBESRZSA-N 1 0 376.913 2.866 20 0 GFADRO COC(=O)c1cc2ccccc2c(-n2nc(CN(C)C(C)C)c3c2C[NH2+]CC3)n1 ZINC001164679807 719642453 /nfs/dbraw/zinc/64/24/53/719642453.db2.gz NVVVPFHENUMDOF-UHFFFAOYSA-N 1 0 393.491 2.693 20 0 GFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ncc(C)c(N3CCCC3)n1)C2 ZINC001164806360 720066914 /nfs/dbraw/zinc/06/69/14/720066914.db2.gz BRIFOEXWFWCWJT-SIKLNZKXSA-N 1 0 385.556 2.570 20 0 GFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1cnc(Cl)nc1)C2 ZINC001164811242 720085770 /nfs/dbraw/zinc/08/57/70/720085770.db2.gz NJHQAUYZPUBEPY-NVXWUHKLSA-N 1 0 386.874 2.860 20 0 GFADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccnc3ccnn31)CC2 ZINC001164710677 720093011 /nfs/dbraw/zinc/09/30/11/720093011.db2.gz KZRWUYLPWFCZMI-LJQANCHMSA-N 1 0 392.507 2.632 20 0 GFADRO CCOC(=O)c1cc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COC)ncc1C ZINC001164809079 720125029 /nfs/dbraw/zinc/12/50/29/720125029.db2.gz GQMOFFHIQQFOOS-PGRDOPGGSA-N 1 0 387.524 2.751 20 0 GFADRO CCOc1c(Cl)ncnc1N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COC ZINC001164816195 720125124 /nfs/dbraw/zinc/12/51/24/720125124.db2.gz YIAFZRKDYFZLDU-HNAYVOBHSA-N 1 0 380.920 2.713 20 0 GFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc3nc[nH]c3cc1Cl)C2 ZINC001164809152 720134431 /nfs/dbraw/zinc/13/44/31/720134431.db2.gz HJYADWMLEWNUET-KUHUBIRLSA-N 1 0 375.904 2.796 20 0 GFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nccc(N3CCCCC3)n1)C2 ZINC001164809072 720139167 /nfs/dbraw/zinc/13/91/67/720139167.db2.gz GQLFEXYUHAFZKT-UGKGYDQZSA-N 1 0 385.556 2.652 20 0 GFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc3ccc(Cl)nc3[nH]1)C2 ZINC001164819470 720152002 /nfs/dbraw/zinc/15/20/02/720152002.db2.gz XGVJJWVAMNEYEU-IFXJQAMLSA-N 1 0 375.904 2.796 20 0 GFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cc(-c3nc(C)no3)ccn1)C2 ZINC001164819030 720173636 /nfs/dbraw/zinc/17/36/36/720173636.db2.gz VPELYFYOWTYXNT-GHTZIAJQSA-N 1 0 383.496 2.625 20 0 GFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cc(-c3nc(C)no3)ccn1)C2 ZINC001164819032 720174495 /nfs/dbraw/zinc/17/44/95/720174495.db2.gz VPELYFYOWTYXNT-NQIIRXRSSA-N 1 0 383.496 2.625 20 0 GFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ncnc(-c3cccc(F)c3)n1)C2 ZINC001164820180 720177922 /nfs/dbraw/zinc/17/79/22/720177922.db2.gz ZSHLKXQMWCMCDB-AVRDEDQJSA-N 1 0 397.498 2.862 20 0 GFADRO COc1cc(Cl)ncc1N1CCCn2c(=O)cc(C[N@H+](C)C(C)C)nc2C1 ZINC001164813969 720219172 /nfs/dbraw/zinc/21/91/72/720219172.db2.gz QLAOZGSVVGLQSL-UHFFFAOYSA-N 1 0 391.903 2.551 20 0 GFADRO Cc1nc(C)c(N2CCCn3c(=O)cc(C[N@@H+](C)C(C)C)nc3C2)c(Cl)n1 ZINC001164812874 720220047 /nfs/dbraw/zinc/22/00/47/720220047.db2.gz JXXBNWOFAFFDOJ-UHFFFAOYSA-N 1 0 390.919 2.554 20 0 GFADRO Cc1cccc2ncc(N3CC[C@@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)nc12 ZINC001164820709 720313447 /nfs/dbraw/zinc/31/34/47/720313447.db2.gz IDESMEHBEPJIIL-VQTJNVASSA-N 1 0 393.535 2.850 20 0 GFADRO COc1ccc(Cl)c(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164828469 720319982 /nfs/dbraw/zinc/31/99/82/720319982.db2.gz JSEFIEBHASVCSU-DLBZAZTESA-N 1 0 392.931 2.655 20 0 GFADRO Cc1cccc2ncnc(N3CC[C@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)c12 ZINC001164832906 720321022 /nfs/dbraw/zinc/32/10/22/720321022.db2.gz UTUPRIHTAIVHQO-UXHICEINSA-N 1 0 393.535 2.850 20 0 GFADRO c1cncc(C[N@@H+]2CC[C@H]3[C@H]2CCN3c2ncnc3cc4c(cc32)OCCO4)c1 ZINC001164725622 720348460 /nfs/dbraw/zinc/34/84/60/720348460.db2.gz OMPTZJZAOJLGRJ-MOPGFXCFSA-N 1 0 389.459 2.649 20 0 GFADRO O=c1ccccn1Cc1ccc(N2CC[C@@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)nc1 ZINC001164732417 720448102 /nfs/dbraw/zinc/44/81/02/720448102.db2.gz NFXIYBYBGBUQBM-RTWAWAEBSA-N 1 0 387.487 2.540 20 0 GFADRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(C(F)(F)c2nc(Cl)ncc2Cl)C1 ZINC001164728648 720509845 /nfs/dbraw/zinc/50/98/45/720509845.db2.gz GYHYIRQRNJFSAW-SNVBAGLBSA-N 1 0 391.253 2.723 20 0 GFADRO COC(=O)c1cc(C)nc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c1 ZINC001164839395 720509995 /nfs/dbraw/zinc/50/99/95/720509995.db2.gz UAHJALHBQXVGSH-SLFFLAALSA-N 1 0 397.523 2.751 20 0 GFADRO COc1ccc(C(F)(F)N2Cc3nccn3C[C@H](C[NH+](C)C)C2)c(Cl)n1 ZINC001164730051 720514019 /nfs/dbraw/zinc/51/40/19/720514019.db2.gz QMHGOXQIFIKLRS-LBPRGKRZSA-N 1 0 385.846 2.683 20 0 GFADRO CCOC(=O)c1cc(N2Cc3nccn3C[C@H](C[NH+](C)C)C2)nc2ccccc21 ZINC001164730811 720514181 /nfs/dbraw/zinc/51/41/81/720514181.db2.gz TZTNTKHNGSVSPS-INIZCTEOSA-N 1 0 393.491 2.806 20 0 GFADRO CN(C)c1ccc(-c2ccnc(N3Cc4nccn4C[C@@H](C[NH+](C)C)C3)n2)cc1 ZINC001164732130 720521130 /nfs/dbraw/zinc/52/11/30/720521130.db2.gz CLVNGAHDOMWVER-QGZVFWFLSA-N 1 0 391.523 2.604 20 0 GFADRO C[NH+](C)Cc1ccnc(N2CCO[C@@]3(CCC[C@@H]3COc3ccccn3)C2)c1 ZINC001164736002 720541827 /nfs/dbraw/zinc/54/18/27/720541827.db2.gz UCBLCACGFLHOHQ-KNQAVFIVSA-N 1 0 382.508 2.993 20 0 GFADRO CN1CCc2nc(Cl)nc(N([C@H]3COC4(C3)CC[NH2+]CC4)C(C)(C)C)c2C1 ZINC001164734366 720547139 /nfs/dbraw/zinc/54/71/39/720547139.db2.gz IBJTZJLVPWRLIW-CQSZACIVSA-N 1 0 393.963 2.634 20 0 GFADRO CCOC(=O)/C=C/c1cccnc1N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001164733414 720551343 /nfs/dbraw/zinc/55/13/43/720551343.db2.gz MWXVYCZCSXOTEE-BQYQJAHWSA-N 1 0 395.507 2.513 20 0 GFADRO FC(F)(c1cnc(Cl)nc1)N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001164733489 720553922 /nfs/dbraw/zinc/55/39/22/720553922.db2.gz NVZJFQZQXSUMGP-UHFFFAOYSA-N 1 0 382.846 2.530 20 0 GFADRO COC(=O)c1ccnc(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC001164837071 720673816 /nfs/dbraw/zinc/67/38/16/720673816.db2.gz BDNRNORIIKJMIZ-GOSISDBHSA-N 1 0 396.491 2.523 20 0 GFADRO COCc1ccnc(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC001164845337 720686833 /nfs/dbraw/zinc/68/68/33/720686833.db2.gz YJPKVDNXSCJWDB-HXUWFJFHSA-N 1 0 382.508 2.883 20 0 GFADRO COc1ccc2nc(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)cc(C)c2c1 ZINC001164737556 720697233 /nfs/dbraw/zinc/69/72/33/720697233.db2.gz GCRILHPTSMHLPV-SJLPKXTDSA-N 1 0 391.475 2.684 20 0 GFADRO Cc1nc(N(C)C)nc(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC001164845266 720697624 /nfs/dbraw/zinc/69/76/24/720697624.db2.gz XMPMCJLOTVFXDO-LJQANCHMSA-N 1 0 396.539 2.506 20 0 GFADRO COCc1ccc(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)nn1 ZINC001164837691 720723983 /nfs/dbraw/zinc/72/39/83/720723983.db2.gz GRKNMJPECWPURB-FQEVSTJZSA-N 1 0 382.508 2.883 20 0 GFADRO CSc1cc(Cl)cnc1N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001164741091 720750299 /nfs/dbraw/zinc/75/02/99/720750299.db2.gz MCMFNTXEDBCGEW-KBPBESRZSA-N 1 0 377.901 2.589 20 0 GFADRO COC[C@@]12CCCO[C@@H]1CCN(c1cccc(OCC[NH+]3CCCC3)n1)C2 ZINC001164846003 720827043 /nfs/dbraw/zinc/82/70/43/720827043.db2.gz CIRTXKCGQIVQIP-NQIIRXRSSA-N 1 0 375.513 2.578 20 0 GFADRO COCC[N@@H+]1CCO[C@H]2CN(c3nc(SC)nc4ccsc43)CC[C@H]2C1 ZINC001164849682 720851374 /nfs/dbraw/zinc/85/13/74/720851374.db2.gz CMVHMESGEFQINH-ZFWWWQNUSA-N 1 0 394.566 2.587 20 0 GFADRO c1cncc(COC[C@@H]2C[N@H+](CC3CC3)C[C@]23CCN(c2ccncn2)C3)c1 ZINC001164754405 720867337 /nfs/dbraw/zinc/86/73/37/720867337.db2.gz RQEBXKRZGFXOJR-UNMCSNQZSA-N 1 0 379.508 2.627 20 0 GFADRO COc1cnc2c(c1)ncnc2N1CCn2c(C[N@H+](C)C(C)C)cnc2[C@@H]1C ZINC001164860362 720990834 /nfs/dbraw/zinc/99/08/34/720990834.db2.gz MYKHNBWAPHAKNM-AWEZNQCLSA-N 1 0 381.484 2.651 20 0 GFADRO C[NH+](C)Cc1ccnc(N2CCC[C@]3(C[C@@H](OCc4ccccn4)CO3)C2)c1 ZINC001164764611 721031787 /nfs/dbraw/zinc/03/17/87/721031787.db2.gz MWLLYRFANKHMRX-IRLDBZIGSA-N 1 0 382.508 2.883 20 0 GFADRO FC(F)(c1cnc(Cl)cn1)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164867764 721054286 /nfs/dbraw/zinc/05/42/86/721054286.db2.gz KGAVNCIOQBUTPV-HUUCEWRRSA-N 1 0 395.841 2.550 20 0 GFADRO Fc1ccc2c(c1)ncnc2N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164871430 721055725 /nfs/dbraw/zinc/05/57/25/721055725.db2.gz YSLBCHRWQRLBKK-ZWKOTPCHSA-N 1 0 379.439 2.644 20 0 GFADRO C[NH+]1CCN(c2ccc(N3CCC[C@@]4(C[C@H](c5ccccc5)CO4)C3)nn2)CC1 ZINC001164774627 721057951 /nfs/dbraw/zinc/05/79/51/721057951.db2.gz XKOSGTYFQJGODS-NZQKXSOJSA-N 1 0 393.535 2.772 20 0 GFADRO C[NH+]1CCN(c2ccc(N3CCC[C@]4(C[C@@H](c5ccccc5)CO4)C3)nn2)CC1 ZINC001164774628 721058089 /nfs/dbraw/zinc/05/80/89/721058089.db2.gz XKOSGTYFQJGODS-OFNKIYASSA-N 1 0 393.535 2.772 20 0 GFADRO Cc1c[nH]c2nc(Cl)nc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)c12 ZINC001164867132 721071023 /nfs/dbraw/zinc/07/10/23/721071023.db2.gz IKYOPGVSCNCNLB-HOTGVXAUSA-N 1 0 398.898 2.794 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4nc(Cl)nc5c4CCCC5)C[C@@H]3C2)cn1 ZINC001164772126 721093193 /nfs/dbraw/zinc/09/31/93/721093193.db2.gz UGAZDKMNLFMWDV-HOTGVXAUSA-N 1 0 386.931 2.701 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4cnc5cccc(Cl)c5n4)C[C@@H]3C2)cn1 ZINC001164771633 721094143 /nfs/dbraw/zinc/09/41/43/721094143.db2.gz SIULSZUICSVEDS-HOTGVXAUSA-N 1 0 382.899 2.975 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(C(F)(F)Oc4cccnc4Cl)C[C@H]3C2)cn1 ZINC001164766525 721095698 /nfs/dbraw/zinc/09/56/98/721095698.db2.gz KSCZVPWCKSRECH-HUUCEWRRSA-N 1 0 397.857 2.852 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4nc(C(C)(C)C)nc5[nH]ccc54)C[C@@H]3C2)cn1 ZINC001164766789 721182873 /nfs/dbraw/zinc/18/28/73/721182873.db2.gz JGJCDRGABWPNCO-IRXDYDNUSA-N 1 0 393.539 2.947 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(C(F)(F)c4cnc(Cl)c(N)c4)C[C@@H]3C2)cn1 ZINC001164766750 721187900 /nfs/dbraw/zinc/18/79/00/721187900.db2.gz JEBISBICOALNPG-KBPBESRZSA-N 1 0 396.873 2.554 20 0 GFADRO Clc1nc2c(nc1N1CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C1)CCCC2 ZINC001164867167 721188586 /nfs/dbraw/zinc/18/85/86/721188586.db2.gz FBENEGMCILZBND-SJORKVTESA-N 1 0 399.926 2.884 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4ncnc5sc6c(c54)CCC6)C[C@@H]3C2)cn1 ZINC001164771450 721194122 /nfs/dbraw/zinc/19/41/22/721194122.db2.gz QAEJOHRKEDGFPW-CVEARBPZSA-N 1 0 394.548 2.872 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4nccc5c6c([nH]c54)CCC6)C[C@@H]3C2)cn1 ZINC001164766187 721236483 /nfs/dbraw/zinc/23/64/83/721236483.db2.gz STTMIUYUKNIYBN-SJORKVTESA-N 1 0 376.508 2.743 20 0 GFADRO CCOC(=O)c1c(Cl)nc(SC)nc1N1CC2(C1)CC[N@H+](CC1CC1)C2 ZINC001164773036 721288226 /nfs/dbraw/zinc/28/82/26/721288226.db2.gz LXBDKAGDIDQKOL-UHFFFAOYSA-N 1 0 396.944 2.951 20 0 GFADRO COc1cc(Cl)nc(N2CC[C@@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)c1 ZINC001164889489 721406142 /nfs/dbraw/zinc/40/61/42/721406142.db2.gz RCXDZKWPDVFPCY-OXJNMPFZSA-N 1 0 394.947 2.509 20 0 GFADRO Cc1cccc2ncnc(N3CC[C@]4(C3)CCC[C@@H](C[NH+]3CCN(C)CC3)O4)c12 ZINC001164891409 721415764 /nfs/dbraw/zinc/41/57/64/721415764.db2.gz VZNQJFFJSOMIDV-CVDCTZTESA-N 1 0 395.551 2.704 20 0 GFADRO Cc1cc(N2CC[C@@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)nc2[nH]ccc21 ZINC001164891918 721423420 /nfs/dbraw/zinc/42/34/20/721423420.db2.gz WQFAFMWANZHBFQ-PGRDOPGGSA-N 1 0 383.540 2.637 20 0 GFADRO Cc1cc2cccnc2c(N2CC[C@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)n1 ZINC001164899920 721443568 /nfs/dbraw/zinc/44/35/68/721443568.db2.gz ZNSZNQCDJQVMTC-OFNKIYASSA-N 1 0 395.551 2.704 20 0 GFADRO Cc1cc(C(C)C)nc(N2CC[C@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)n1 ZINC001164891368 721448924 /nfs/dbraw/zinc/44/89/24/721448924.db2.gz UMKBNZFVFIMHPP-UGKGYDQZSA-N 1 0 387.572 2.674 20 0 GFADRO C[NH+]1CCN(c2cccc(N3C[C@@H]4CCC[C@]4(COc4ccccn4)C3)n2)CC1 ZINC001164794606 721506606 /nfs/dbraw/zinc/50/66/06/721506606.db2.gz ATLDECQLKWLFBH-WMZHIEFXSA-N 1 0 393.535 2.914 20 0 GFADRO CCN(CC)c1cncc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)n1 ZINC001164903469 721545249 /nfs/dbraw/zinc/54/52/49/721545249.db2.gz CWOYBWJJGMBALB-IEBWSBKVSA-N 1 0 385.487 2.804 20 0 GFADRO Cc1noc(-c2ccc(N3CC[N@@H+]4C[C@@H](Oc5cccc(F)c5)C[C@H]4C3)nc2)n1 ZINC001164906446 721557097 /nfs/dbraw/zinc/55/70/97/721557097.db2.gz JFBZKAITAPDURR-HKUYNNGSSA-N 1 0 395.438 2.921 20 0 GFADRO Cc1nc2cc(F)ccc2c(N2CCCC23CC[NH+](CC(=O)N(C)C)CC3)n1 ZINC001165010186 721733875 /nfs/dbraw/zinc/73/38/75/721733875.db2.gz FQZCOJHGLYFBRP-UHFFFAOYSA-N 1 0 385.487 2.600 20 0 GFADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2cc3ccc(Cl)nc3cn2)CC1 ZINC001165011917 721739301 /nfs/dbraw/zinc/73/93/01/721739301.db2.gz XJTSEEKPXDVPCG-UHFFFAOYSA-N 1 0 387.915 2.806 20 0 GFADRO c1cncc(O[C@H]2CO[C@@]3(CCN(c4ccc(C[NH+]5CCCC5)cn4)C3)C2)c1 ZINC001164917699 721806884 /nfs/dbraw/zinc/80/68/84/721806884.db2.gz XHQMJXFWDHXFAH-IRLDBZIGSA-N 1 0 380.492 2.889 20 0 GFADRO Cc1ccc(C(N)=O)c(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)n1 ZINC001165024725 721822566 /nfs/dbraw/zinc/82/25/66/721822566.db2.gz KZGCVYTZFLLWGI-VDGAXYAQSA-N 1 0 379.508 2.621 20 0 GFADRO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2C(F)(F)c1nc(Cl)ncc1Cl ZINC001164928558 721854605 /nfs/dbraw/zinc/85/46/05/721854605.db2.gz OJTDNMYBIVGETH-NWDGAFQWSA-N 1 0 380.270 2.543 20 0 GFADRO C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2C(F)(F)c1c[nH]c2nc(Cl)ccc12 ZINC001164927382 721863682 /nfs/dbraw/zinc/86/36/82/721863682.db2.gz UQRGCIGKOBSVDG-GJZGRUSLSA-N 1 0 383.874 2.976 20 0 GFADRO COc1ccc2nc(Cl)cc(N3CC[C@H]4[C@H]3CC[N@@H+]4CCN(C)C)c2n1 ZINC001164925328 721866148 /nfs/dbraw/zinc/86/61/48/721866148.db2.gz NVUZBISHOUNZLJ-LSDHHAIUSA-N 1 0 375.904 2.506 20 0 GFADRO CCOC(=O)c1cc2ccccc2nc1N1CC[C@@H]2[C@H]1CCN2CC[NH+](C)C ZINC001164927025 721871102 /nfs/dbraw/zinc/87/11/02/721871102.db2.gz UHWPDPJABVFEPL-WOJBJXKFSA-N 1 0 382.508 2.626 20 0 GFADRO C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2C(F)(F)c1cc(Cl)nc2c1CCC2 ZINC001164933989 721890620 /nfs/dbraw/zinc/89/06/20/721890620.db2.gz NVSOZRWIBUECBM-IAGOWNOFSA-N 1 0 384.902 2.983 20 0 GFADRO COc1cc(C)nc(N2CCC3(CC2)C[N@H+](Cc2ccc(C)cc2)CCO3)n1 ZINC001164939006 721925039 /nfs/dbraw/zinc/92/50/39/721925039.db2.gz GPPRWHGGRMISOU-UHFFFAOYSA-N 1 0 382.508 2.973 20 0 GFADRO COc1nc(C)cc(N2CCC3(CC2)C[N@H+](Cc2ccc(C)cc2)CCO3)n1 ZINC001164939365 721926017 /nfs/dbraw/zinc/92/60/17/721926017.db2.gz KEZAHDTWIUFKIA-UHFFFAOYSA-N 1 0 382.508 2.973 20 0 GFADRO CC[NH+](CC)C1CCN(c2c(Cl)nnc(Cl)c2N2CCOCC2)CC1 ZINC001165053657 722007944 /nfs/dbraw/zinc/00/79/44/722007944.db2.gz CHPCTIQBOJOCDL-UHFFFAOYSA-N 1 0 388.343 2.931 20 0 GFADRO CC(C)(C)OC(=O)c1cnc(N2C[C@@H]3C[N@@H+](CC4CC4)C[C@H](C2)O3)c(Cl)c1 ZINC001164967632 722077124 /nfs/dbraw/zinc/07/71/24/722077124.db2.gz HCMLXLHNVGFAHQ-IYBDPMFKSA-N 1 0 393.915 2.990 20 0 GFADRO Clc1nc2[nH]ccc2c(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164983384 722099283 /nfs/dbraw/zinc/09/92/83/722099283.db2.gz PQXLREYFFMJEFR-WBVHZDCISA-N 1 0 398.898 2.734 20 0 GFADRO COc1cc(Cl)nc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c1 ZINC001164979748 722112125 /nfs/dbraw/zinc/11/21/25/722112125.db2.gz PRMJVSKRKUUILE-AEFFLSMTSA-N 1 0 388.899 2.866 20 0 GFADRO FC(F)c1ccnc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164982103 722135820 /nfs/dbraw/zinc/13/58/20/722135820.db2.gz QZQOZVTVRSVGJA-WBVHZDCISA-N 1 0 375.423 2.537 20 0 GFADRO Cc1cc2ncnc(N3CCCn4cnc(COCC[NH+](C)C)c4C3)c2s1 ZINC001165001598 722255658 /nfs/dbraw/zinc/25/56/58/722255658.db2.gz CHSWTDCFHGSICE-UHFFFAOYSA-N 1 0 386.525 2.685 20 0 GFADRO CCOc1ccc(Br)cc1S(=O)(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000388296712 563520218 /nfs/dbraw/zinc/52/02/18/563520218.db2.gz UKNNBGLSMMSLKF-WCQYABFASA-N 1 0 391.331 2.644 20 0 GFADRO COc1ccc(NC(=O)Nc2ccn(CC[NH+](C)C)n2)cc1Br ZINC000470354999 532525877 /nfs/dbraw/zinc/52/58/77/532525877.db2.gz NATJMFLVZUYNMI-UHFFFAOYSA-N 1 0 382.262 2.860 20 0 GFADRO Cc1c([C@H]2[C@H](C[NH2+]Cc3nc4c(s3)C[C@H](C)CC4)CC(=O)N2C)cnn1C ZINC000328640148 206237026 /nfs/dbraw/zinc/23/70/26/206237026.db2.gz XFIJWVDOSHEPAO-TUXXCZFBSA-N 1 0 387.553 2.619 20 0 GFADRO O=C(c1ccco1)N1CCC([NH2+]CCOc2ncccc2C(F)(F)F)CC1 ZINC000359869402 206265145 /nfs/dbraw/zinc/26/51/45/206265145.db2.gz IEIHUWIASFRWEG-UHFFFAOYSA-N 1 0 383.370 2.967 20 0 GFADRO CC(=O)N1CSC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccc(Cl)c1 ZINC000359865229 206265652 /nfs/dbraw/zinc/26/56/52/206265652.db2.gz FWLMSUGLPVSTRA-JQHSSLGASA-N 1 0 395.956 2.761 20 0 GFADRO Cc1cc(N2CC[C@H]([n+]3ccc(N(C)C)cc3)C2=O)ccc1Br ZINC000359865277 206266116 /nfs/dbraw/zinc/26/61/16/206266116.db2.gz GBGPLRYAVSSFBD-KRWDZBQOSA-N 1 0 375.290 2.569 20 0 GFADRO CCOc1cc(C[N@@H+]2CCOC[C@@H](C)C2)ccc1OCC(=O)N1CCCCC1 ZINC000359872869 206266126 /nfs/dbraw/zinc/26/61/26/206266126.db2.gz KZLZLFHPSQQIBA-SFHVURJKSA-N 1 0 390.524 2.945 20 0 GFADRO Cc1c[nH+]ccc1N1CCC(C(=O)N(C)C[C@@H]2COc3ccccc3O2)CC1 ZINC000359883669 206267473 /nfs/dbraw/zinc/26/74/73/206267473.db2.gz XGPAOIACKDKOMB-GOSISDBHSA-N 1 0 381.476 2.905 20 0 GFADRO COC(=O)N(C)c1ccc(NC(=O)N2CCC([N@@H+]3CCO[C@@H](C)C3)CC2)cc1 ZINC000359903179 206268633 /nfs/dbraw/zinc/26/86/33/206268633.db2.gz GFIDIVNLXCRQFL-HNNXBMFYSA-N 1 0 390.484 2.606 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)N1CCCN(C(=O)c2ccco2)CC1)c1cccs1 ZINC000359933772 206271195 /nfs/dbraw/zinc/27/11/95/206271195.db2.gz GUTWMFMLSIRMRH-HNNXBMFYSA-N 1 0 390.509 2.502 20 0 GFADRO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(C(=O)c2ccc(SC(F)F)cc2)CC1 ZINC000359960685 206274002 /nfs/dbraw/zinc/27/40/02/206274002.db2.gz PLFQWSIUTVMYFC-OAHLLOKOSA-N 1 0 383.464 2.556 20 0 GFADRO COc1ccc(S(=O)(=O)N2CCC([NH2+]CCCCOC(C)C)CC2)cc1 ZINC000359996123 206276910 /nfs/dbraw/zinc/27/69/10/206276910.db2.gz FXGNQKGGPXDAOQ-UHFFFAOYSA-N 1 0 384.542 2.643 20 0 GFADRO C[C@@H](CNC(=O)c1ccc(Cl)c(NS(C)(=O)=O)c1)C[NH+]1CCCCC1 ZINC000109509688 208441261 /nfs/dbraw/zinc/44/12/61/208441261.db2.gz UHGNORCAPNQEFL-ZDUSSCGKSA-N 1 0 387.933 2.563 20 0 GFADRO CNc1cc(I)ccc1C(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000412162433 563649579 /nfs/dbraw/zinc/64/95/79/563649579.db2.gz BDQMLGPWQWYPNC-ZYHUDNBSSA-N 1 0 399.276 2.688 20 0 GFADRO Nc1cc(N)[nH+]c(SCc2nc(-c3cccc(Br)c3)no2)n1 ZINC000007692798 551101620 /nfs/dbraw/zinc/10/16/20/551101620.db2.gz HEXSPELAPPJIFB-UHFFFAOYSA-N 1 0 379.243 2.746 20 0 GFADRO Brc1cc2c(cc1CN1CC[NH+](C[C@H]3CCCO3)CC1)OCCO2 ZINC000020950435 551116152 /nfs/dbraw/zinc/11/61/52/551116152.db2.gz WPELMGSXGZLMQL-OAHLLOKOSA-N 1 0 397.313 2.517 20 0 GFADRO C[N@H+](CCCNC(=O)CS(=O)(=O)c1ccc(Cl)cc1)C1CCCCC1 ZINC000029177251 551126167 /nfs/dbraw/zinc/12/61/67/551126167.db2.gz UBSOQUYHDASVFG-UHFFFAOYSA-N 1 0 386.945 2.885 20 0 GFADRO Cc1cc(S(=O)(=O)N[C@@H](C)C[NH+]2CCCCC2)ccc1Br ZINC000040435913 551134264 /nfs/dbraw/zinc/13/42/64/551134264.db2.gz YPLKIGGWGZIWRO-ZDUSSCGKSA-N 1 0 375.332 2.910 20 0 GFADRO Cc1ccc(Br)cc1S(=O)(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000040435911 551134508 /nfs/dbraw/zinc/13/45/08/551134508.db2.gz MCDPHHUFIRLMAF-ZDUSSCGKSA-N 1 0 375.332 2.910 20 0 GFADRO C[NH+]1CCN(Cc2ccc(NC(=O)c3cncc(Br)c3)cc2)CC1 ZINC000041576955 551135694 /nfs/dbraw/zinc/13/56/94/551135694.db2.gz LSORCDSURCWQJB-UHFFFAOYSA-N 1 0 389.297 2.844 20 0 GFADRO Cc1cccc(C[NH2+]Cc2ccc(S(=O)(=O)N3CCOCC3)s2)c1C ZINC000042228401 551139097 /nfs/dbraw/zinc/13/90/97/551139097.db2.gz HKIDIUUNWBUZBY-UHFFFAOYSA-N 1 0 380.535 2.676 20 0 GFADRO CC[NH+]1CCN(CCNC(=O)CSc2cc(Cl)ccc2Cl)CC1 ZINC000042590196 551139476 /nfs/dbraw/zinc/13/94/76/551139476.db2.gz SXEULLGRKJVOJX-UHFFFAOYSA-N 1 0 376.353 2.839 20 0 GFADRO COc1ccc(C(=O)N2CCC[N@H+](C[C@@H]3CCCO3)CC2)cc1Br ZINC000043765855 551142753 /nfs/dbraw/zinc/14/27/53/551142753.db2.gz GLLHIDXXTJQYDG-HNNXBMFYSA-N 1 0 397.313 2.785 20 0 GFADRO CCOc1c(Br)cc(Br)cc1C[NH2+]CCC(=O)NC ZINC000044989751 551145135 /nfs/dbraw/zinc/14/51/35/551145135.db2.gz IQMWWTBNDYPANN-UHFFFAOYSA-N 1 0 394.107 2.836 20 0 GFADRO CC(=O)NCC1CC[NH+](C[C@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000047773241 551153470 /nfs/dbraw/zinc/15/34/70/551153470.db2.gz DZYFUCDHDIEIRJ-HNNXBMFYSA-N 1 0 375.296 2.581 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)C(=O)Nc1ccccc1Br ZINC000049131507 551158028 /nfs/dbraw/zinc/15/80/28/551158028.db2.gz RCWQAJKFVAKFKP-CYBMUJFWSA-N 1 0 382.302 2.768 20 0 GFADRO CN1CCC([NH+]2CCC(NC(=O)c3sccc3Br)CC2)CC1 ZINC000050797891 551161682 /nfs/dbraw/zinc/16/16/82/551161682.db2.gz DIRBZCGOFISLJB-UHFFFAOYSA-N 1 0 386.359 2.799 20 0 GFADRO CN1CCC([NH+]2CCC(NC(=O)c3cccc(Br)c3)CC2)CC1 ZINC000050802606 551161812 /nfs/dbraw/zinc/16/18/12/551161812.db2.gz CEGIQHAKJDWXEG-UHFFFAOYSA-N 1 0 380.330 2.738 20 0 GFADRO CCC[N@@H+]1CC[C@H](CNC(=O)NCc2cc(OC)ccc2Br)C1 ZINC000054511087 551169227 /nfs/dbraw/zinc/16/92/27/551169227.db2.gz GZHWNFCBILRSOJ-CYBMUJFWSA-N 1 0 384.318 2.989 20 0 GFADRO CC(C)[NH+]1CCN(C[C@@H](O)COc2ccc(Cl)cc2Br)CC1 ZINC000066420844 551187185 /nfs/dbraw/zinc/18/71/85/551187185.db2.gz MWFXFHSVKZTXQX-CQSZACIVSA-N 1 0 391.737 2.868 20 0 GFADRO CC(C)[NH+]1CCN(Cc2nc(Cc3cccc(Br)c3)no2)CC1 ZINC000067376632 551188250 /nfs/dbraw/zinc/18/82/50/551188250.db2.gz JVIXAGLXMWKMSW-UHFFFAOYSA-N 1 0 379.302 2.949 20 0 GFADRO OC1CC[NH+](Cc2ccc(CNc3ncc(Br)cn3)cc2)CC1 ZINC000067372156 551188374 /nfs/dbraw/zinc/18/83/74/551188374.db2.gz VIBKAFQXVZNJQT-UHFFFAOYSA-N 1 0 377.286 2.808 20 0 GFADRO C[NH+](C)CCN1CCC(NC(=O)NCCc2c(Cl)cccc2Cl)CC1 ZINC000097215875 551196465 /nfs/dbraw/zinc/19/64/65/551196465.db2.gz QGNQXZVNBQAVSK-UHFFFAOYSA-N 1 0 387.355 2.861 20 0 GFADRO COCC[C@@H](C)[NH2+]Cc1cc(I)c(OC)c(OC)c1 ZINC000101597415 551196804 /nfs/dbraw/zinc/19/68/04/551196804.db2.gz ILTVFYINEHHDKU-SNVBAGLBSA-N 1 0 379.238 2.823 20 0 GFADRO COC[C@]1(CNC(=O)Nc2ccc(Br)cc2Cl)CCC[NH2+]1 ZINC000414709999 563751099 /nfs/dbraw/zinc/75/10/99/563751099.db2.gz FWBFLLWNSZOEKU-CQSZACIVSA-N 1 0 376.682 2.993 20 0 GFADRO C[C@H](CNC(=O)c1[nH]c2ccccc2c1Br)C[NH+]1CCN(C)CC1 ZINC000114141286 551209237 /nfs/dbraw/zinc/20/92/37/551209237.db2.gz SCFZSSDNHVDJPJ-CYBMUJFWSA-N 1 0 393.329 2.544 20 0 GFADRO Cc1ccc(NC(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)cc1Br ZINC000120359677 551220075 /nfs/dbraw/zinc/22/00/75/551220075.db2.gz QFLJCOVBAPGSSX-CJNGLKHVSA-N 1 0 394.313 2.639 20 0 GFADRO COc1ccc(Br)cc1CNC(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000120380936 551220696 /nfs/dbraw/zinc/22/06/96/551220696.db2.gz USDKUZKRYAPWSU-ZDUSSCGKSA-N 1 0 384.318 2.989 20 0 GFADRO C[C@H](O)[C@H]1CCC[N@@H+]([C@@H](C)C(=O)N(C)Cc2ccc(Br)cc2)C1 ZINC000120750588 551221801 /nfs/dbraw/zinc/22/18/01/551221801.db2.gz YTGXQAPGJQLTRU-DZKIICNBSA-N 1 0 383.330 2.889 20 0 GFADRO C[NH+](C)CCN(CC(=O)OC(C)(C)C)C(=O)c1cc(F)c(Cl)cc1F ZINC000120979780 551224383 /nfs/dbraw/zinc/22/43/83/551224383.db2.gz XCSHSDWHJMDRAQ-UHFFFAOYSA-N 1 0 376.831 2.964 20 0 GFADRO O=C(NCC[NH2+]Cc1cccc2c1OCO2)c1ccc(Br)cc1 ZINC000121143748 551227856 /nfs/dbraw/zinc/22/78/56/551227856.db2.gz AYVHRELMCXNNPO-UHFFFAOYSA-N 1 0 377.238 2.697 20 0 GFADRO CCCN(CC[NH+](CC)CC)C(=O)C(=O)Nc1ccccc1Br ZINC000121679019 551239833 /nfs/dbraw/zinc/23/98/33/551239833.db2.gz JJYPRJIOUOCANF-UHFFFAOYSA-N 1 0 384.318 2.968 20 0 GFADRO CCC[C@H]1CN(CC(=O)Nc2ccccc2Br)CC[N@@H+]1CCOC ZINC000121714130 551240646 /nfs/dbraw/zinc/24/06/46/551240646.db2.gz QSBCDFAYXWYBHD-HNNXBMFYSA-N 1 0 398.345 2.820 20 0 GFADRO CC[NH+]1CCN([C@H](C)CNC(=O)CCc2cccc(Br)c2)CC1 ZINC000121785338 551242800 /nfs/dbraw/zinc/24/28/00/551242800.db2.gz XLKXEBORWVULPB-OAHLLOKOSA-N 1 0 382.346 2.524 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)c1ccc(-n2cc(Br)cn2)cc1 ZINC000121834670 551243984 /nfs/dbraw/zinc/24/39/84/551243984.db2.gz GUVJIFCBZHFGDG-WBMJQRKESA-N 1 0 377.286 2.977 20 0 GFADRO COc1ccc2ccccc2c1C[NH2+]CCNS(=O)(=O)c1cccs1 ZINC000122254052 551296853 /nfs/dbraw/zinc/29/68/53/551296853.db2.gz JQSZWJCVHRQYII-UHFFFAOYSA-N 1 0 376.503 2.978 20 0 GFADRO CC(C)(C)CC(C)(C)[NH2+]CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl ZINC000123179992 551304032 /nfs/dbraw/zinc/30/40/32/551304032.db2.gz XSULNSZJXKIJHJ-UHFFFAOYSA-N 1 0 375.922 2.730 20 0 GFADRO Cc1ccc(Br)c(NC(=O)C(=O)NCC[NH+]2CCC(C)CC2)c1 ZINC000123368537 551306027 /nfs/dbraw/zinc/30/60/27/551306027.db2.gz HRVRDWPMLGAZNF-UHFFFAOYSA-N 1 0 382.302 2.544 20 0 GFADRO Cc1ccc(Br)c(NC(=O)C(=O)NCC[NH+]2CCCCCC2)c1 ZINC000123398081 551306620 /nfs/dbraw/zinc/30/66/20/551306620.db2.gz VNBCWYUBYPYMKJ-UHFFFAOYSA-N 1 0 382.302 2.688 20 0 GFADRO NS(=O)(=O)c1ccc(Cl)c(NC(=O)C[N@@H+]2CCC[C@@H]2C2CCCC2)c1 ZINC000123606627 551307446 /nfs/dbraw/zinc/30/74/46/551307446.db2.gz VANQJYFRRWLUAS-MRXNPFEDSA-N 1 0 385.917 2.581 20 0 GFADRO CC[C@H](C)[NH+]1CCN(C(=O)c2csc(I)c2)CC1 ZINC000124111460 551310313 /nfs/dbraw/zinc/31/03/13/551310313.db2.gz OXVWGKMLAYXSSX-JTQLQIEISA-N 1 0 378.279 2.909 20 0 GFADRO CCOc1ccc(S(=O)(=O)N2CCC[C@H](C)[C@@H]2C[NH3+])cc1Br ZINC000124398043 551314187 /nfs/dbraw/zinc/31/41/87/551314187.db2.gz BBZQNFQDSZMHHC-FZMZJTMJSA-N 1 0 391.331 2.596 20 0 GFADRO COC(=O)c1sccc1S(=O)(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000124429514 551314751 /nfs/dbraw/zinc/31/47/51/551314751.db2.gz HIJFKDITLBMBOA-UHFFFAOYSA-N 1 0 386.539 2.610 20 0 GFADRO C[C@@H]([NH2+]C[C@@]1(CCO)CCOC1)c1ccc(I)cc1 ZINC000125764140 551323940 /nfs/dbraw/zinc/32/39/40/551323940.db2.gz YPECUISACJSQIG-IUODEOHRSA-N 1 0 375.250 2.731 20 0 GFADRO C[C@@H](NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1ccc(Br)cc1F ZINC000126729864 551331873 /nfs/dbraw/zinc/33/18/73/551331873.db2.gz YIDRAKSEQBADMN-OLZOCXBDSA-N 1 0 386.309 2.826 20 0 GFADRO Cc1nc(CCC(=O)N[C@@H]2CC[NH2+]C2)oc1-c1ccc(Br)cc1 ZINC000126880977 551333713 /nfs/dbraw/zinc/33/37/13/551333713.db2.gz RXMLGAZCDLDHLG-CQSZACIVSA-N 1 0 378.270 2.823 20 0 GFADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)NC[C@H]1CSCCS1 ZINC000126894173 551334193 /nfs/dbraw/zinc/33/41/93/551334193.db2.gz AVBMAYCGUWIFJX-INIZCTEOSA-N 1 0 380.583 2.717 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccnc(Cl)c1I ZINC000128092168 551346735 /nfs/dbraw/zinc/34/67/35/551346735.db2.gz ITUNQVVQASQYFX-SECBINFHSA-N 1 0 393.656 2.554 20 0 GFADRO Cc1ccc(Br)c(S(=O)(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c1 ZINC000128334364 551349005 /nfs/dbraw/zinc/34/90/05/551349005.db2.gz COIJHOXFSYXYQN-HIFRSBDPSA-N 1 0 387.343 2.862 20 0 GFADRO Cc1c(C(=O)NC2C[C@H]3CC[C@@H](C2)[NH2+]3)cnn1-c1ccc(Br)cc1 ZINC000129369906 551356538 /nfs/dbraw/zinc/35/65/38/551356538.db2.gz GSSFFIAIZLGARN-YIONKMFJSA-N 1 0 389.297 2.956 20 0 GFADRO CC[NH+](CC)CCC[C@H](C)NC(=O)c1ccc(Cl)c(NS(C)(=O)=O)c1 ZINC000130128922 551362358 /nfs/dbraw/zinc/36/23/58/551362358.db2.gz LHEQBEKSLLPFTL-ZDUSSCGKSA-N 1 0 389.949 2.952 20 0 GFADRO [NH3+]C[C@@H]1CC[C@H](NC(=O)Nc2cc(F)c(I)c(F)c2)C1 ZINC000415118803 563759548 /nfs/dbraw/zinc/75/95/48/563759548.db2.gz JWBPNFQJVFLARC-SFYZADRCSA-N 1 0 395.191 2.818 20 0 GFADRO C[NH+](C)CCn1cc(NC(=O)Nc2ccc(I)cc2)cn1 ZINC000130414174 551364838 /nfs/dbraw/zinc/36/48/38/551364838.db2.gz CDVCZYCRFCIZRX-UHFFFAOYSA-N 1 0 399.236 2.693 20 0 GFADRO COCC[N@H+](C)CCCNC(=O)Cc1c[nH]c2cccc(Br)c12 ZINC000130573221 551366649 /nfs/dbraw/zinc/36/66/49/551366649.db2.gz SSWPVIOUPRKHRS-UHFFFAOYSA-N 1 0 382.302 2.557 20 0 GFADRO O[C@@H](C[NH2+]Cc1cccc2c1OCO2)COc1ccccc1Br ZINC000131033187 551371293 /nfs/dbraw/zinc/37/12/93/551371293.db2.gz ZLNGQNAALWZLDO-ZDUSSCGKSA-N 1 0 380.238 2.707 20 0 GFADRO O=C(c1cc(I)c[nH]1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000131307101 551373832 /nfs/dbraw/zinc/37/38/32/551373832.db2.gz MVEALHBBUWWYRD-CYBMUJFWSA-N 1 0 387.265 2.710 20 0 GFADRO CCC(CC)[C@H](C[NH2+][C@H](C)Cn1cc(Br)cn1)N1CCOCC1 ZINC000131790129 551375739 /nfs/dbraw/zinc/37/57/39/551375739.db2.gz QFCJYVKNSMMRLJ-PBHICJAKSA-N 1 0 387.366 2.761 20 0 GFADRO C[C@@H]([NH2+]CCN1CCc2sccc2C1)c1ccc(NS(C)(=O)=O)cc1 ZINC000132865702 551379949 /nfs/dbraw/zinc/37/99/49/551379949.db2.gz USEZBVARANMNPD-CQSZACIVSA-N 1 0 379.551 2.829 20 0 GFADRO COC[C@@H]([NH2+][C@H](C)C(=O)Nc1ccc(I)cc1)C1CC1 ZINC000136666677 551390017 /nfs/dbraw/zinc/39/00/17/551390017.db2.gz DGWXPEWBSBOXNX-QMTHXVAHSA-N 1 0 388.249 2.633 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)[C@H]1CC12CC[NH2+]CC2 ZINC000137011776 551390412 /nfs/dbraw/zinc/39/04/12/551390412.db2.gz OGNGEWWFRILTAO-CQSZACIVSA-N 1 0 394.313 2.592 20 0 GFADRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1ccc(Cl)c(NS(C)(=O)=O)c1 ZINC000141086204 551393824 /nfs/dbraw/zinc/39/38/24/551393824.db2.gz SKAXOGUMKUGDKE-CHWSQXEVSA-N 1 0 387.933 2.562 20 0 GFADRO CN(Cc1cc(Br)cn1C)C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000150886101 551403299 /nfs/dbraw/zinc/40/32/99/551403299.db2.gz HFFPBFNNHNKMSV-AWEZNQCLSA-N 1 0 383.334 2.946 20 0 GFADRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)NCCOc1ncc(Cl)cc1Cl ZINC000151033423 551406194 /nfs/dbraw/zinc/40/61/94/551406194.db2.gz AQCZVEFMBUFYAR-GFCCVEGCSA-N 1 0 375.300 2.750 20 0 GFADRO C[C@H](NC(=O)N1CC[NH+](CC(C)(C)O)CC1)c1ccccc1Br ZINC000151140115 551408197 /nfs/dbraw/zinc/40/81/97/551408197.db2.gz KSSDJORJNOYOGT-ZDUSSCGKSA-N 1 0 384.318 2.608 20 0 GFADRO C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CCSCCCO ZINC000151179657 551408462 /nfs/dbraw/zinc/40/84/62/551408462.db2.gz MGROQYPJFHUTGT-LBPRGKRZSA-N 1 0 375.332 2.871 20 0 GFADRO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)Nc1cc(Cl)ccc1Br ZINC000151545471 551416037 /nfs/dbraw/zinc/41/60/37/551416037.db2.gz ZGKJHMQAIARZRA-SNVBAGLBSA-N 1 0 390.709 2.888 20 0 GFADRO C[NH+](C)CC1CCC(NS(=O)(=O)c2cccc(OC(F)(F)F)c2)CC1 ZINC000151772219 551420972 /nfs/dbraw/zinc/42/09/72/551420972.db2.gz KQSQRBUAHTVLMJ-UHFFFAOYSA-N 1 0 380.432 2.984 20 0 GFADRO O=C(CCOc1ccccc1Br)NCCCC[N@H+]1CCC[C@@H]1CO ZINC000152165756 551427513 /nfs/dbraw/zinc/42/75/13/551427513.db2.gz DLUJYETVAZHZRP-OAHLLOKOSA-N 1 0 399.329 2.571 20 0 GFADRO O=C(C[NH2+]C[C@H]1CCCO1)NCC1(c2cccc(Br)c2)CCC1 ZINC000152682004 551438165 /nfs/dbraw/zinc/43/81/65/551438165.db2.gz UNQUQCICXRTDTO-MRXNPFEDSA-N 1 0 381.314 2.756 20 0 GFADRO CCOCCOc1ccc(Br)cc1C[NH2+][C@@H]1CCN(C(C)=O)C1 ZINC000152952832 551443862 /nfs/dbraw/zinc/44/38/62/551443862.db2.gz FTCSSQORINPBRQ-MRXNPFEDSA-N 1 0 385.302 2.575 20 0 GFADRO Cn1cc(Br)cc(NC(=O)N2CC[NH+](C3CCCCC3)CC2)c1=O ZINC000153035187 551445092 /nfs/dbraw/zinc/44/50/92/551445092.db2.gz QTEVZXKGUUCOQN-UHFFFAOYSA-N 1 0 397.317 2.630 20 0 GFADRO COCCC[C@H]([NH2+]CC1(C(N)=O)CCOCC1)c1ccc(Br)cc1 ZINC000153143235 551447153 /nfs/dbraw/zinc/44/71/53/551447153.db2.gz RHOBCRUIFPSZJV-INIZCTEOSA-N 1 0 399.329 2.789 20 0 GFADRO O=C(Cc1cccc(I)c1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000153388697 551451558 /nfs/dbraw/zinc/45/15/58/551451558.db2.gz LRNLAHPVQOSGSP-OAHLLOKOSA-N 1 0 384.261 2.530 20 0 GFADRO CSC[C@](C)(O)C[NH2+][C@@H](C)CC(=O)Nc1cccc(Br)c1 ZINC000153621033 551457179 /nfs/dbraw/zinc/45/71/79/551457179.db2.gz WEAILVUDMUXEGS-XHDPSFHLSA-N 1 0 375.332 2.870 20 0 GFADRO COC[C@H](O)CC[NH2+]Cc1cc(Br)cc(Br)c1OC ZINC000153772582 551460763 /nfs/dbraw/zinc/46/07/63/551460763.db2.gz MRJBQBSGZLVOCZ-LLVKDONJSA-N 1 0 397.107 2.707 20 0 GFADRO CC(C)(C)[NH2+]CCNC(=O)CCC[S@](=O)c1ccc(Br)cc1 ZINC000153864697 551461965 /nfs/dbraw/zinc/46/19/65/551461965.db2.gz TYRUUIYKOVYUDN-JOCHJYFZSA-N 1 0 389.359 2.841 20 0 GFADRO C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1ccnc(-c2ccc(Br)cc2)n1 ZINC000153984439 551464416 /nfs/dbraw/zinc/46/44/16/551464416.db2.gz SUCYKKRJBVMRSU-TZMCWYRMSA-N 1 0 389.297 2.992 20 0 GFADRO CNC(=O)[C@@H]1CCC[N@H+](Cc2ccnc(-c3ccc(Br)cc3)n2)C1 ZINC000154219010 551470056 /nfs/dbraw/zinc/47/00/56/551470056.db2.gz AVXJFDLDEXCZOA-CQSZACIVSA-N 1 0 389.297 2.864 20 0 GFADRO O=C(C[NH2+]C1CC1)Nc1ccc(Br)c(I)c1 ZINC000154375680 551473881 /nfs/dbraw/zinc/47/38/81/551473881.db2.gz DCLAPBZCZIFNLQ-UHFFFAOYSA-N 1 0 395.038 2.744 20 0 GFADRO CCN(Cc1cccc(NC(=O)[C@@H]([NH3+])CCSC)c1)C(=O)C(F)(F)F ZINC000154462423 551475714 /nfs/dbraw/zinc/47/57/14/551475714.db2.gz JIGMZZQVDISRQQ-ZDUSSCGKSA-N 1 0 377.432 2.616 20 0 GFADRO CC[N@H+](CCNC(=O)c1cc(F)c(F)cc1I)C1CC1 ZINC000154496902 551476773 /nfs/dbraw/zinc/47/67/73/551476773.db2.gz GWVOSHSKPWDFHZ-UHFFFAOYSA-N 1 0 394.203 2.784 20 0 GFADRO C[NH+](C)CCCC1CCN(C(=O)C(=O)Nc2cccc(Br)c2)CC1 ZINC000154547942 551477484 /nfs/dbraw/zinc/47/74/84/551477484.db2.gz AHTPCKPRIUQUQI-UHFFFAOYSA-N 1 0 396.329 2.968 20 0 GFADRO COC(=O)CC1([NH2+]CC(=O)Nc2ccc(Cl)c(Cl)c2)CCOCC1 ZINC000154540026 551477540 /nfs/dbraw/zinc/47/75/40/551477540.db2.gz MQJYFOJOLCCLFZ-UHFFFAOYSA-N 1 0 375.252 2.634 20 0 GFADRO C[NH+](C)CCCC1CCN(C(=O)C(=O)Nc2ccccc2Br)CC1 ZINC000154585961 551478421 /nfs/dbraw/zinc/47/84/21/551478421.db2.gz YVUSQYHCTCLULC-UHFFFAOYSA-N 1 0 396.329 2.968 20 0 GFADRO C[C@@H]1CCC[N@@H+]1C1CCN(C(=O)c2ccc(Cl)c(S(C)(=O)=O)c2)CC1 ZINC000154817240 551483854 /nfs/dbraw/zinc/48/38/54/551483854.db2.gz NYCWHGMAQFLWSL-CYBMUJFWSA-N 1 0 384.929 2.832 20 0 GFADRO C[C@H](CCNC(=O)c1cc(S(C)(=O)=O)cs1)[N@H+](C)Cc1ccccc1 ZINC000154877208 551484824 /nfs/dbraw/zinc/48/48/24/551484824.db2.gz UOEVHZVVKKDFMJ-CQSZACIVSA-N 1 0 380.535 2.792 20 0 GFADRO CCNC(=O)CC[NH+]1CCC(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000155160601 551493058 /nfs/dbraw/zinc/49/30/58/551493058.db2.gz GXTXDMOODKWNGP-UHFFFAOYSA-N 1 0 382.302 2.626 20 0 GFADRO CC(C)[NH+](CCCNC(=O)CNC(=O)c1ccc(Br)cc1)C(C)C ZINC000155154031 551493280 /nfs/dbraw/zinc/49/32/80/551493280.db2.gz PPPWDZVILQSKSW-UHFFFAOYSA-N 1 0 398.345 2.804 20 0 GFADRO C[NH+](C)CCn1ccc(NC(=O)c2c[nH]c3cccc(Br)c23)n1 ZINC000155201173 551494138 /nfs/dbraw/zinc/49/41/38/551494138.db2.gz YAEAODQUSHVQDT-UHFFFAOYSA-N 1 0 376.258 2.941 20 0 GFADRO CN(C)C(=O)[C@@H]1CCCN1CCC[NH2+][C@@H]1CCc2cc(Br)ccc21 ZINC000155285925 551496666 /nfs/dbraw/zinc/49/66/66/551496666.db2.gz IQWSWIRKCBZYBS-MSOLQXFVSA-N 1 0 394.357 2.969 20 0 GFADRO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1ccc(Cl)c(Br)c1 ZINC000155599958 551503687 /nfs/dbraw/zinc/50/36/87/551503687.db2.gz ABJDWBCKWSVHSR-JTQLQIEISA-N 1 0 390.709 2.888 20 0 GFADRO CC(C)[N@H+](C)CCNS(=O)(=O)c1c(Cl)cc(F)cc1Br ZINC000155592120 551503735 /nfs/dbraw/zinc/50/37/35/551503735.db2.gz RESHIHLDGDRDKW-UHFFFAOYSA-N 1 0 387.702 2.860 20 0 GFADRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)CNC(=O)c2ccc(Cl)cc2Cl)C1 ZINC000155676450 551505108 /nfs/dbraw/zinc/50/51/08/551505108.db2.gz DVSLJQZICKWQGE-ZDUSSCGKSA-N 1 0 386.323 2.817 20 0 GFADRO Brc1cc2c(c(C[NH2+][C@@H]3CCCN(c4cccnn4)C3)c1)OCC2 ZINC000155827725 551508698 /nfs/dbraw/zinc/50/86/98/551508698.db2.gz ZLPQBLJCBRZZBZ-MRXNPFEDSA-N 1 0 389.297 2.933 20 0 GFADRO Cn1cc(NC(=O)NCc2cccc(C[NH+](C)C)c2)cc(Br)c1=O ZINC000156119030 551514680 /nfs/dbraw/zinc/51/46/80/551514680.db2.gz GESYGMCYXNYBRD-UHFFFAOYSA-N 1 0 393.285 2.531 20 0 GFADRO C[C@H]1CCC[N@H+](CCNC(=O)c2cc(=O)[nH]c3ccc(Br)cc32)C1 ZINC000156195744 551517066 /nfs/dbraw/zinc/51/70/66/551517066.db2.gz CXNUIYSEROVAQK-LBPRGKRZSA-N 1 0 392.297 2.752 20 0 GFADRO CC(=O)N1CC[C@@H](C[N@@H+](C)CC(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)C1 ZINC000156622402 551526275 /nfs/dbraw/zinc/52/62/75/551526275.db2.gz VBBQQOVYJUUOCH-JSGCOSHPSA-N 1 0 386.323 2.971 20 0 GFADRO C[N@@H+]1CCC[C@@H](CNC(=O)c2cc(F)c(F)cc2I)C1 ZINC000156870669 551529251 /nfs/dbraw/zinc/52/92/51/551529251.db2.gz ULIMECVVRGPUEG-VIFPVBQESA-N 1 0 394.203 2.641 20 0 GFADRO COc1cccc(COC[C@H](O)C[N@H+](C)Cc2cc(Br)cn2C)c1 ZINC000156897391 551529927 /nfs/dbraw/zinc/52/99/27/551529927.db2.gz HACBTXWTIRPSKL-QGZVFWFLSA-N 1 0 397.313 2.806 20 0 GFADRO COC(=O)c1sccc1S(=O)(=O)N1CCC[C@H]([NH+]2CCCCCC2)C1 ZINC000157368662 551536901 /nfs/dbraw/zinc/53/69/01/551536901.db2.gz IIOGNKTZBPFKMB-AWEZNQCLSA-N 1 0 386.539 2.564 20 0 GFADRO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)c1ccc(I)cc1Cl ZINC000157744038 551541953 /nfs/dbraw/zinc/54/19/53/551541953.db2.gz NJXIJPHBEAHWQS-QPUJVOFHSA-N 1 0 378.641 2.802 20 0 GFADRO COC(=O)c1cc(Cl)ccc1S(=O)(=O)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000158739708 551556253 /nfs/dbraw/zinc/55/62/53/551556253.db2.gz VUPIRWGIQRNUBC-CYBMUJFWSA-N 1 0 388.917 2.527 20 0 GFADRO O=C([C@H]1CCN(c2cc(Cl)ccc2Cl)C1=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000158839202 551557439 /nfs/dbraw/zinc/55/74/39/551557439.db2.gz LOCVLNXIEFHRCY-ACJLOTCBSA-N 1 0 382.291 2.558 20 0 GFADRO C[NH2+]C[C@H]1CCCN(C(=O)c2cnc(Sc3nccn3C)c(Cl)c2)C1 ZINC000158977286 551559096 /nfs/dbraw/zinc/55/90/96/551559096.db2.gz BWKAHHRJQAEKCJ-GFCCVEGCSA-N 1 0 379.917 2.691 20 0 GFADRO [NH3+]C[C@H](NC(=O)c1ccc(NC(=O)c2ccc(Br)o2)cc1)C1CC1 ZINC000159060330 551560184 /nfs/dbraw/zinc/56/01/84/551560184.db2.gz KQMCXMIIDRTHPK-ZDUSSCGKSA-N 1 0 392.253 2.762 20 0 GFADRO Cc1cc(C(=O)N2CC[C@]3(CC[NH2+]C3)C2)nn1-c1ccc(Br)cc1 ZINC000159072551 551560670 /nfs/dbraw/zinc/56/06/70/551560670.db2.gz CJRATPNEOYPPBO-SFHVURJKSA-N 1 0 389.297 2.769 20 0 GFADRO CC[C@H](C(=O)N1CCC(C(=O)Nc2ccc(Br)cc2)CC1)[NH+](C)C ZINC000159167124 551562100 /nfs/dbraw/zinc/56/21/00/551562100.db2.gz VHOKPEMLJSZTTE-MRXNPFEDSA-N 1 0 396.329 2.966 20 0 GFADRO O=C(c1nn(-c2ccc(F)cc2)cc1Br)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000159232636 551562414 /nfs/dbraw/zinc/56/24/14/551562414.db2.gz HOIYDJUSPOXHIE-QGZVFWFLSA-N 1 0 393.260 2.600 20 0 GFADRO C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000161559770 551596037 /nfs/dbraw/zinc/59/60/37/551596037.db2.gz YPZMXLZVDBSOBY-ACJTYDJDSA-N 1 0 384.307 2.853 20 0 GFADRO O=S(=O)(Cc1c(Cl)cccc1Cl)NCCCC[N@H+]1CCC[C@@H]1CO ZINC000161700006 551597521 /nfs/dbraw/zinc/59/75/21/551597521.db2.gz MIZSTIGWWLQGKF-CYBMUJFWSA-N 1 0 395.352 2.650 20 0 GFADRO O=S(=O)(NCCCC[N@H+]1CCC[C@H]1CO)c1c(Cl)cccc1Cl ZINC000161701607 551597725 /nfs/dbraw/zinc/59/77/25/551597725.db2.gz DDDYMAGNKAGDFE-LBPRGKRZSA-N 1 0 381.325 2.509 20 0 GFADRO O=S(=O)(NCCCC[N@H+]1CCC[C@@H]1CO)c1c(Cl)cccc1Cl ZINC000161701464 551597900 /nfs/dbraw/zinc/59/79/00/551597900.db2.gz DDDYMAGNKAGDFE-GFCCVEGCSA-N 1 0 381.325 2.509 20 0 GFADRO [NH3+][C@@H]1CCC[C@H](NC(=O)C2(c3ccc(Br)cc3)CCOCC2)C1 ZINC000162111725 551603902 /nfs/dbraw/zinc/60/39/02/551603902.db2.gz LHBUFKVFYJEFTG-CVEARBPZSA-N 1 0 381.314 2.883 20 0 GFADRO CC(C)[C@@H](CCO)[NH2+]Cc1nnnn1-c1ccc(Cl)cc1C(F)(F)F ZINC000162236122 551605471 /nfs/dbraw/zinc/60/54/71/551605471.db2.gz BPKQIPBXZPQOSL-GFCCVEGCSA-N 1 0 377.798 2.831 20 0 GFADRO [NH3+][C@H]1CCC[C@H](NC(=O)c2ccc(I)c(Cl)c2)C1 ZINC000162275634 551606169 /nfs/dbraw/zinc/60/61/69/551606169.db2.gz LQPLBTJZWSUNSC-UWVGGRQHSA-N 1 0 378.641 2.944 20 0 GFADRO Cc1c(C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)cnn1-c1cccc(Br)c1 ZINC000162299930 551606604 /nfs/dbraw/zinc/60/66/04/551606604.db2.gz BIYUNXNJSNTTQN-UONOGXRCSA-N 1 0 377.286 2.943 20 0 GFADRO NC(=O)[C@@H]([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)c1cccc(Br)c1 ZINC000162306945 551606780 /nfs/dbraw/zinc/60/67/80/551606780.db2.gz JTRSJUPMBBOSMM-JONQDZQNSA-N 1 0 379.298 2.913 20 0 GFADRO CC[C@@H](C)[N@H+](C)CCNC(=O)N(C)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000162800263 551613267 /nfs/dbraw/zinc/61/32/67/551613267.db2.gz QKYLOHAVHDYXGW-IUODEOHRSA-N 1 0 387.933 2.540 20 0 GFADRO Cc1cc(SCC(=O)N2CCO[C@H]([C@@H](C)[NH3+])C2)c(C)cc1Br ZINC000163047230 551615679 /nfs/dbraw/zinc/61/56/79/551615679.db2.gz NUSCVDPIWBQUMM-OCCSQVGLSA-N 1 0 387.343 2.733 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CN(C(=O)CCc2cc(Cl)ccc2Br)CCO1 ZINC000163099349 551616308 /nfs/dbraw/zinc/61/63/08/551616308.db2.gz KICRTEMWQDZFHR-YGRLFVJLSA-N 1 0 375.694 2.610 20 0 GFADRO C[C@H](C(=O)NC[C@@H](O)COc1ccccc1Br)[NH+]1CCCCCC1 ZINC000166409980 551632008 /nfs/dbraw/zinc/63/20/08/551632008.db2.gz QKHVUVZSTHUEST-HUUCEWRRSA-N 1 0 399.329 2.570 20 0 GFADRO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]C2CCN(c3cccs3)CC2)cc1 ZINC000168466552 551634529 /nfs/dbraw/zinc/63/45/29/551634529.db2.gz LFZRCUVYZUDCRG-CQSZACIVSA-N 1 0 379.551 2.976 20 0 GFADRO CC[C@H](C)[N@H+](C)CCNC(=O)NCC(=O)Nc1cc(Cl)ccc1Cl ZINC000170755944 551639128 /nfs/dbraw/zinc/63/91/28/551639128.db2.gz VAEOPMKOXUMIPQ-NSHDSACASA-N 1 0 375.300 2.961 20 0 GFADRO COCCC[NH+]1CCC(NC(=O)CCOc2cccc(Br)c2)CC1 ZINC000171138249 551648266 /nfs/dbraw/zinc/64/82/66/551648266.db2.gz REYMLJFKQIQXDB-UHFFFAOYSA-N 1 0 399.329 2.835 20 0 GFADRO COCC[N@H+](C)CCNC(=O)c1c2c(sc1-n1cccc1)CSCC2 ZINC000171138765 551648416 /nfs/dbraw/zinc/64/84/16/551648416.db2.gz LAUPEASRKPXBEA-UHFFFAOYSA-N 1 0 379.551 2.636 20 0 GFADRO COC(=O)[C@H](C)C[N@H+](CC(=O)N(C)Cc1ccccc1Br)C1CC1 ZINC000171302019 551652602 /nfs/dbraw/zinc/65/26/02/551652602.db2.gz LCIFDIQECJTGFR-CYBMUJFWSA-N 1 0 397.313 2.681 20 0 GFADRO COc1ccc(OCC[NH2+][C@@H](C(N)=O)c2ccc(Br)cc2)cc1 ZINC000171758240 551662575 /nfs/dbraw/zinc/66/25/75/551662575.db2.gz MTAWNMYBYZWHMB-MRXNPFEDSA-N 1 0 379.254 2.653 20 0 GFADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)[C@@H](C)Oc2ccccc2Br)C1 ZINC000171792651 551664035 /nfs/dbraw/zinc/66/40/35/551664035.db2.gz LFFSXHVTZDFSDI-CABCVRRESA-N 1 0 399.329 2.689 20 0 GFADRO CN(Cc1cnn(C)c1)C(=O)C[NH2+]C(C)(C)Cc1ccc(Br)cc1 ZINC000171941200 551667053 /nfs/dbraw/zinc/66/70/53/551667053.db2.gz NKFATKJFUCVYLC-UHFFFAOYSA-N 1 0 393.329 2.752 20 0 GFADRO O=C(NC1CC[NH+](Cc2cccnc2)CC1)c1cc(Br)ccc1O ZINC000172115148 551670695 /nfs/dbraw/zinc/67/06/95/551670695.db2.gz AQCGODXXFIQFGP-UHFFFAOYSA-N 1 0 390.281 2.944 20 0 GFADRO C[C@@H](Cc1ccc(Br)cc1)NC(=O)NCC1([NH+](C)C)CCOCC1 ZINC000172223378 551673731 /nfs/dbraw/zinc/67/37/31/551673731.db2.gz TXYMSBUFCVUSEW-AWEZNQCLSA-N 1 0 398.345 2.790 20 0 GFADRO Cc1ccc(I)cc1NC(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000415502707 563779820 /nfs/dbraw/zinc/77/98/20/563779820.db2.gz CDZSHUSTKJQVFH-AAEUAGOBSA-N 1 0 385.249 2.815 20 0 GFADRO O=C(NCCCC[N@H+]1CCC[C@@H]1CO)Nc1cc(Br)ccc1F ZINC000173145824 552078495 /nfs/dbraw/zinc/07/84/95/552078495.db2.gz SALDWTMYMISPOK-CYBMUJFWSA-N 1 0 388.281 2.947 20 0 GFADRO CC[NH+]1CCC(CCNC(=O)C(=O)Nc2cccc(Br)c2)CC1 ZINC000173195051 552079025 /nfs/dbraw/zinc/07/90/25/552079025.db2.gz BTSKVMZVKZDQDI-UHFFFAOYSA-N 1 0 382.302 2.626 20 0 GFADRO C[C@@H]([NH2+]C[C@H](O)c1ccc(Cl)cc1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000173304077 552082111 /nfs/dbraw/zinc/08/21/11/552082111.db2.gz IEDXRRSKLKIOOM-ACJLOTCBSA-N 1 0 382.913 2.975 20 0 GFADRO O=S(=O)(c1cnc(Cl)c(Cl)c1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000173632057 552089466 /nfs/dbraw/zinc/08/94/66/552089466.db2.gz JLQOPBBOOYUNNX-GFCCVEGCSA-N 1 0 378.325 2.885 20 0 GFADRO CC(C)[N@H+](C)Cc1cccc(CNC(=O)c2c[nH]c(=O)c(Br)c2)c1 ZINC000173652249 552090262 /nfs/dbraw/zinc/09/02/62/552090262.db2.gz MQSUKZGJYWSOTI-UHFFFAOYSA-N 1 0 392.297 2.908 20 0 GFADRO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2c[nH]c(=O)c(Br)c2)C1 ZINC000173662296 552090339 /nfs/dbraw/zinc/09/03/39/552090339.db2.gz XIOABHZOPCRMLK-LBPRGKRZSA-N 1 0 384.318 2.768 20 0 GFADRO Cc1cc(N2CC[C@@H]([NH2+][C@H](C)c3ccc(Br)cc3)C2=O)n(C)n1 ZINC000173804975 552092061 /nfs/dbraw/zinc/09/20/61/552092061.db2.gz KLGYPEDNHWAVLZ-IUODEOHRSA-N 1 0 377.286 2.947 20 0 GFADRO CC[N@H+](C)C[C@H]1CCN(CC(=O)N(C)Cc2cc(Br)cs2)C1 ZINC000173896937 552095181 /nfs/dbraw/zinc/09/51/81/552095181.db2.gz GKZRFJCLHAAQFG-CYBMUJFWSA-N 1 0 388.375 2.743 20 0 GFADRO CCC[N@H+](C)C[C@H]1CCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)C1 ZINC000173948194 552095965 /nfs/dbraw/zinc/09/59/65/552095965.db2.gz CTFOPWDLIQXXLD-CYBMUJFWSA-N 1 0 380.432 2.938 20 0 GFADRO CN(CC[C@@H]1CCCC[N@@H+]1C)Cc1nnnn1-c1ccccc1Br ZINC000173959556 552095982 /nfs/dbraw/zinc/09/59/82/552095982.db2.gz LIFCUAPWHZBBSH-AWEZNQCLSA-N 1 0 393.333 2.731 20 0 GFADRO C[C@@H]([NH2+]CC1CCN(S(C)(=O)=O)CC1)c1ccc(Br)cc1 ZINC000174025770 552096932 /nfs/dbraw/zinc/09/69/32/552096932.db2.gz GPTPVOOBHYPHFE-GFCCVEGCSA-N 1 0 375.332 2.771 20 0 GFADRO O=C([C@@H]1C[C@@H]1c1ccc(Br)cc1)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000174165268 552101221 /nfs/dbraw/zinc/10/12/21/552101221.db2.gz KFMRVTWIWMCFBK-ZTFGCOKTSA-N 1 0 393.325 2.733 20 0 GFADRO CC(C)C[C@H]1CC[N@H+](CC(=O)NCC(=O)Nc2ccccc2Br)C1 ZINC000174193320 552101964 /nfs/dbraw/zinc/10/19/64/552101964.db2.gz UYDZGBWWWYGFIR-CQSZACIVSA-N 1 0 396.329 2.872 20 0 GFADRO CCC[N@H+](CC)CCNC(=O)c1nnn(-c2cccc(Br)c2)c1C ZINC000174648123 552107576 /nfs/dbraw/zinc/10/75/76/552107576.db2.gz MUFTUCQRJYHSBT-UHFFFAOYSA-N 1 0 394.317 2.800 20 0 GFADRO COC(=O)C[C@H]1CSCC[N@@H+]1CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000174741650 552109063 /nfs/dbraw/zinc/10/90/63/552109063.db2.gz ANOPUMKLAKRZFJ-AWEZNQCLSA-N 1 0 381.885 2.913 20 0 GFADRO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1c(F)cc(Br)cc1F ZINC000174906560 552112612 /nfs/dbraw/zinc/11/26/12/552112612.db2.gz CZPCYNZAQQGDPC-SECBINFHSA-N 1 0 392.244 2.512 20 0 GFADRO COc1cc(NC(=O)NC2CCN(CC[NH+](C)C)CC2)ccc1Br ZINC000175022405 552114178 /nfs/dbraw/zinc/11/41/78/552114178.db2.gz RUOKMSGQABSNGR-UHFFFAOYSA-N 1 0 399.333 2.605 20 0 GFADRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)Nc1nnc(-c2ccsc2)s1 ZINC000175494982 552123536 /nfs/dbraw/zinc/12/35/36/552123536.db2.gz RHHTVTFDYDJUNU-ZDUSSCGKSA-N 1 0 381.527 2.841 20 0 GFADRO O=C1CCCN1C[C@@H](O)C[N@@H+]1CCC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000175932321 552132564 /nfs/dbraw/zinc/13/25/64/552132564.db2.gz COAODJZNHAWRCV-ZFWWWQNUSA-N 1 0 387.307 2.820 20 0 GFADRO CC[NH+](CC)[C@H](CNC(=O)N1CC[C@](O)(C(F)(F)F)C1)c1ccsc1 ZINC000175940190 552132903 /nfs/dbraw/zinc/13/29/03/552132903.db2.gz XBWZUKYSCHOHRD-UKRRQHHQSA-N 1 0 379.448 2.840 20 0 GFADRO COc1ccc(S(=O)(=O)N(CC[NH+](C)C)Cc2cccs2)cc1OC ZINC000176794791 552145904 /nfs/dbraw/zinc/14/59/04/552145904.db2.gz YBACLTDJDCAAJH-UHFFFAOYSA-N 1 0 384.523 2.518 20 0 GFADRO Cc1ccc(C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)cc1Br ZINC000176819283 552146633 /nfs/dbraw/zinc/14/66/33/552146633.db2.gz VESLBGDHVBJYPO-HNNXBMFYSA-N 1 0 381.314 2.942 20 0 GFADRO COc1ccc(Br)cc1CNC(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000177738263 552158144 /nfs/dbraw/zinc/15/81/44/552158144.db2.gz BCYGLMZXTRSEKO-BXUZGUMPSA-N 1 0 382.302 2.882 20 0 GFADRO COc1ccc(Br)cc1CNC(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000177738249 552158274 /nfs/dbraw/zinc/15/82/74/552158274.db2.gz BCYGLMZXTRSEKO-FZMZJTMJSA-N 1 0 382.302 2.882 20 0 GFADRO C[C@@H](CNC(=O)N[C@H](CO)c1cccc(Br)c1)C[NH+]1CCCC1 ZINC000177970039 552161809 /nfs/dbraw/zinc/16/18/09/552161809.db2.gz TXGJYKWUHCICOA-XJKSGUPXSA-N 1 0 384.318 2.514 20 0 GFADRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(F)c(Br)c2)C1 ZINC000178022247 552162855 /nfs/dbraw/zinc/16/28/55/552162855.db2.gz PEWPFKBIRNHJJD-PWSUYJOCSA-N 1 0 386.265 2.516 20 0 GFADRO O=C(c1cc2cc(Br)ccc2[nH]1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000178072165 552163580 /nfs/dbraw/zinc/16/35/80/552163580.db2.gz SNXTZHZZMNFNOH-CYBMUJFWSA-N 1 0 392.297 2.725 20 0 GFADRO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CCCC(=O)NC1CC1 ZINC000178099888 552164077 /nfs/dbraw/zinc/16/40/77/552164077.db2.gz KIJRARXGHUIJDU-GFCCVEGCSA-N 1 0 382.302 2.815 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)C[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000178335350 552168978 /nfs/dbraw/zinc/16/89/78/552168978.db2.gz OFOROPHKLQRKQM-TZMCWYRMSA-N 1 0 396.329 2.838 20 0 GFADRO C[NH+](C)CCn1ccc(NCc2cc(Br)c3c(c2)OCCO3)n1 ZINC000178419237 552170110 /nfs/dbraw/zinc/17/01/10/552170110.db2.gz BANKYYDATZAWCP-UHFFFAOYSA-N 1 0 381.274 2.591 20 0 GFADRO [NH3+]C[C@@H]1CCN(C(=O)[C@H]2CCCN(C(=O)c3ccc(Cl)c(Cl)c3)C2)C1 ZINC000178577559 552172539 /nfs/dbraw/zinc/17/25/39/552172539.db2.gz PGLFRSYIJFXXPX-JSGCOSHPSA-N 1 0 384.307 2.653 20 0 GFADRO O=C(Nc1ccc(C(=O)NC[C@H]2CCC[NH2+]2)cc1)c1ccc(Br)o1 ZINC000178729295 552174213 /nfs/dbraw/zinc/17/42/13/552174213.db2.gz KTMKRCJEGYQILQ-CYBMUJFWSA-N 1 0 392.253 2.776 20 0 GFADRO C[C@@H]([NH3+])C1CCN(C(=O)[C@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)CC1 ZINC000178842208 552177043 /nfs/dbraw/zinc/17/70/43/552177043.db2.gz WQPSHTJXHPTSEU-BXUZGUMPSA-N 1 0 384.307 2.932 20 0 GFADRO CCCN(C(=O)c1cc(=O)c2cc(Br)ccc2[nH]1)[C@H]1CC[NH2+]C1 ZINC000178893125 552178581 /nfs/dbraw/zinc/17/85/81/552178581.db2.gz WODKKBWJRIBHMA-LBPRGKRZSA-N 1 0 378.270 2.505 20 0 GFADRO Cc1nn(-c2ccc(C(=O)NCC[C@H]3CC[NH2+]C3)cc2)c(C)c1Br ZINC000178956539 552180105 /nfs/dbraw/zinc/18/01/05/552180105.db2.gz JDRJEHNDSJGSQZ-CQSZACIVSA-N 1 0 391.313 2.981 20 0 GFADRO C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)C1 ZINC000178965796 552180714 /nfs/dbraw/zinc/18/07/14/552180714.db2.gz IHWULGKOVRNVII-LRDDRELGSA-N 1 0 384.307 2.666 20 0 GFADRO C[NH2+]C[C@@H]1CCN(C(=O)c2cnn(-c3cccc(Br)c3)c2C)C1 ZINC000178983551 552181350 /nfs/dbraw/zinc/18/13/50/552181350.db2.gz KCOURPTZVWZCQD-ZDUSSCGKSA-N 1 0 377.286 2.625 20 0 GFADRO C[NH2+]C[C@@H]1CCN(C(=O)c2ccc(Cl)c(I)c2)C1 ZINC000179023425 552182488 /nfs/dbraw/zinc/18/24/88/552182488.db2.gz WMXZZYYCFKMVAP-VIFPVBQESA-N 1 0 378.641 2.626 20 0 GFADRO CN(C(=O)c1ccc(NC(=O)c2ccc(Br)o2)cc1)[C@@H]1CC[NH2+]C1 ZINC000179058897 552183493 /nfs/dbraw/zinc/18/34/93/552183493.db2.gz XHWMMGCEKUJKNU-CYBMUJFWSA-N 1 0 392.253 2.728 20 0 GFADRO C[NH2+]C1CCN(C(=O)CCC[S@](=O)c2ccc(Br)cc2)CC1 ZINC000179143524 552184831 /nfs/dbraw/zinc/18/48/31/552184831.db2.gz WXAKIGKSESRRSI-QFIPXVFZSA-N 1 0 387.343 2.547 20 0 GFADRO CC(C)[C@@H](C[NH2+][C@H](C)c1ncc(Br)s1)N1CCN(C)CC1 ZINC000179200784 552186738 /nfs/dbraw/zinc/18/67/38/552186738.db2.gz DRLRQCTVJSASGF-CHWSQXEVSA-N 1 0 375.380 2.828 20 0 GFADRO CC(C)[N@H+]1[C@@H]2CC[C@H]1CCN(C(=O)c1cnn3cc(Br)cnc13)C2 ZINC000179691159 552200261 /nfs/dbraw/zinc/20/02/61/552200261.db2.gz MHKBHZZBOGAJGN-UONOGXRCSA-N 1 0 392.301 2.579 20 0 GFADRO C[N@H+](CCCO)C1CCN(C(=O)c2[nH]c3ccccc3c2Br)CC1 ZINC000179760134 552201803 /nfs/dbraw/zinc/20/18/03/552201803.db2.gz QPGOGDYDVBJGEG-UHFFFAOYSA-N 1 0 394.313 2.849 20 0 GFADRO C[N@H+](CCCO)C1CCN(C(=O)C2(c3cccc(Br)c3)CC2)CC1 ZINC000179753510 552202117 /nfs/dbraw/zinc/20/21/17/552202117.db2.gz XUQHFMICYFSIEB-UHFFFAOYSA-N 1 0 395.341 2.786 20 0 GFADRO C[C@@H]([NH2+]CC(=O)Nc1cccc(I)c1)C1CCOCC1 ZINC000179869066 552205579 /nfs/dbraw/zinc/20/55/79/552205579.db2.gz BTGDPSGXVXGSPT-LLVKDONJSA-N 1 0 388.249 2.634 20 0 GFADRO O=C(CSc1cccc(Br)c1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000179878405 552206066 /nfs/dbraw/zinc/20/60/66/552206066.db2.gz DHECFVLZOSJQHT-AWEZNQCLSA-N 1 0 399.354 2.722 20 0 GFADRO CS(=O)(=O)c1csc(C(=O)NCc2ccccc2C[NH+]2CCCC2)c1 ZINC000180000957 552209205 /nfs/dbraw/zinc/20/92/05/552209205.db2.gz JPPBCLZVWCTCDY-UHFFFAOYSA-N 1 0 378.519 2.677 20 0 GFADRO CC(C)(O)C[NH+]1CCN(Cc2ccc(OC(F)F)c(Br)c2)CC1 ZINC000180010413 552209660 /nfs/dbraw/zinc/20/96/60/552209660.db2.gz RSNGDDFLAHIZFW-UHFFFAOYSA-N 1 0 393.272 2.939 20 0 GFADRO C[C@@H]([NH2+][C@H]1CCN(c2cccc(Cl)c2)C1)c1ccc(S(N)(=O)=O)cc1 ZINC000180145590 552214977 /nfs/dbraw/zinc/21/49/77/552214977.db2.gz VBAQNXHQDSDOBD-CJNGLKHVSA-N 1 0 379.913 2.917 20 0 GFADRO COc1cc(Br)c(F)cc1S(=O)(=O)N(CC[NH+](C)C)C(C)C ZINC000180189868 552216548 /nfs/dbraw/zinc/21/65/48/552216548.db2.gz PHBOIUOQYYORSF-UHFFFAOYSA-N 1 0 397.310 2.558 20 0 GFADRO C[N@H+](CCCO)C1CCN(C(=O)C[C@@H](O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000180241668 552219238 /nfs/dbraw/zinc/21/92/38/552219238.db2.gz LZQOIDJBYXMOSD-QGZVFWFLSA-N 1 0 389.323 2.722 20 0 GFADRO CN(CC(F)(F)F)C(=O)C[NH2+]C(C)(C)COc1ncccc1Br ZINC000180396953 552225257 /nfs/dbraw/zinc/22/52/57/552225257.db2.gz BTGRGLGXKFLFGQ-UHFFFAOYSA-N 1 0 398.223 2.612 20 0 GFADRO COCCCOCC[N@H+](C)CCC(=O)Nc1ccc(Br)cc1F ZINC000180726364 552234090 /nfs/dbraw/zinc/23/40/90/552234090.db2.gz WCVVOPIHNPNUEN-UHFFFAOYSA-N 1 0 391.281 2.902 20 0 GFADRO CSc1ccc([C@@H](C)[NH2+]CCS(=O)(=O)NC[C@H]2CCCCO2)cc1F ZINC000180745996 552234703 /nfs/dbraw/zinc/23/47/03/552234703.db2.gz JSMNWHDLCHQFIX-UKRRQHHQSA-N 1 0 390.546 2.687 20 0 GFADRO C[C@@H](Cn1cc(Br)cn1)[NH2+][C@H]1CCN(c2ccccc2F)C1=O ZINC000180771216 552235616 /nfs/dbraw/zinc/23/56/16/552235616.db2.gz LOEFGAAAVCLJCT-FZMZJTMJSA-N 1 0 381.249 2.568 20 0 GFADRO Cc1cc([C@@H](C)[NH2+]C2CCN(S(=O)(=O)C3CCOCC3)CC2)c(C)s1 ZINC000180982210 552241997 /nfs/dbraw/zinc/24/19/97/552241997.db2.gz VFDPCSFRPLFDHB-CQSZACIVSA-N 1 0 386.583 2.989 20 0 GFADRO COCc1nc2n(n1)C[C@@H]([NH2+][C@H]1CCc3c1c(Br)ccc3F)CC2 ZINC000181297785 552253131 /nfs/dbraw/zinc/25/31/31/552253131.db2.gz OFSSVUGBBUWKPT-HZMBPMFUSA-N 1 0 395.276 2.918 20 0 GFADRO C[C@@H]([NH2+][C@@H](CO)c1cccc(Br)c1)c1ccc(-n2cnnn2)cc1 ZINC000181392260 552255295 /nfs/dbraw/zinc/25/52/95/552255295.db2.gz SHMSZYXPRPPDTO-PXAZEXFGSA-N 1 0 388.269 2.809 20 0 GFADRO COc1ccc(OC)c([C@H](C)[NH2+]CCNS(=O)(=O)c2ccc(C)s2)c1 ZINC000181511654 552258952 /nfs/dbraw/zinc/25/89/52/552258952.db2.gz KGWCOUBQDOIGDJ-ZDUSSCGKSA-N 1 0 384.523 2.703 20 0 GFADRO COCCc1nc(C)c([C@@H](C)[NH2+][C@@H]2CCCN(CC(F)(F)F)C2=O)s1 ZINC000181530080 552259586 /nfs/dbraw/zinc/25/95/86/552259586.db2.gz ODUPYRUZMQSZQY-ZYHUDNBSSA-N 1 0 379.448 2.844 20 0 GFADRO O=S(=O)(C[C@H](O)C[NH2+][C@@H]1CSCCc2ccccc21)c1cccs1 ZINC000181641119 552263692 /nfs/dbraw/zinc/26/36/92/552263692.db2.gz CJUSNJVZMGOANQ-GDBMZVCRSA-N 1 0 383.560 2.503 20 0 GFADRO COc1ccc(S(=O)(=O)N(CC[NH+](C)C)Cc2cccs2)c(C)c1F ZINC000181716097 552266346 /nfs/dbraw/zinc/26/63/46/552266346.db2.gz NQXBPTFONXUUAW-UHFFFAOYSA-N 1 0 386.514 2.957 20 0 GFADRO Cc1ccc(NC(=O)CN[C@H](CS(C)(=O)=O)c2ccccc2)c(Cl)c1 ZINC000181769221 552267383 /nfs/dbraw/zinc/26/73/83/552267383.db2.gz ATCFLXYTDXZRGD-QGZVFWFLSA-N 1 0 380.897 2.962 20 0 GFADRO Cc1ccc(NC(=O)CN[C@@H](CS(C)(=O)=O)c2ccccc2)cc1Cl ZINC000181780117 552267560 /nfs/dbraw/zinc/26/75/60/552267560.db2.gz HEGTZEPYUPCJDR-KRWDZBQOSA-N 1 0 380.897 2.962 20 0 GFADRO C[C@@H](Cn1cc(Br)cn1)[NH2+]C[C@@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000181812858 552268054 /nfs/dbraw/zinc/26/80/54/552268054.db2.gz AWUDZQJYZLQXRP-HOCLYGCPSA-N 1 0 391.313 2.672 20 0 GFADRO CCO[C@@H]1C[C@@H]([NH2+]C2CCN(S(=O)(=O)C(F)(F)F)CC2)C12CCCC2 ZINC000181884486 552269672 /nfs/dbraw/zinc/26/96/72/552269672.db2.gz KAFRIMUVMKFCLE-ZIAGYGMSSA-N 1 0 384.464 2.628 20 0 GFADRO COCc1nc2n(n1)C[C@H]([NH2+][C@H](C)c1ccc(OC)cc1Br)CC2 ZINC000182012430 552272608 /nfs/dbraw/zinc/27/26/08/552272608.db2.gz BUEZZZOXBJIMFK-VXGBXAGGSA-N 1 0 395.301 2.861 20 0 GFADRO Cc1cc(S(=O)(=O)NCC[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)c(C)s1 ZINC000182043244 552274046 /nfs/dbraw/zinc/27/40/46/552274046.db2.gz KSPPIHSRIJJRAE-UAGQMJEPSA-N 1 0 384.567 2.581 20 0 GFADRO O=S(=O)(c1ccc(C(F)(F)F)nc1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000182075370 552274255 /nfs/dbraw/zinc/27/42/55/552274255.db2.gz ZTDJLBASOZIPRS-ZDUSSCGKSA-N 1 0 377.432 2.597 20 0 GFADRO CCO[C@@H]1C[C@H]([NH2+]CCNS(=O)(=O)c2ccc(Cl)s2)C12CCC2 ZINC000182059507 552274458 /nfs/dbraw/zinc/27/44/58/552274458.db2.gz PPFFDJISECLVAO-NWDGAFQWSA-N 1 0 378.947 2.617 20 0 GFADRO O=S(=O)(C[C@H](O)C[NH2+][C@H]1CCCOc2cc(F)ccc21)c1cccs1 ZINC000182164616 552277037 /nfs/dbraw/zinc/27/70/37/552277037.db2.gz NMHDUIMDLMFEPW-HIFRSBDPSA-N 1 0 385.482 2.525 20 0 GFADRO CN(C)C(=O)CC1CC[NH+](C[C@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000182210340 552278445 /nfs/dbraw/zinc/27/84/45/552278445.db2.gz YFFJDBRPGCEIHO-HNNXBMFYSA-N 1 0 389.323 2.923 20 0 GFADRO NC(=O)C[C@@H]1CCC[N@H+](Cc2cc3c(cc2Br)OCCCO3)C1 ZINC000182386084 552282523 /nfs/dbraw/zinc/28/25/23/552282523.db2.gz UXOMBXDGCFQYAN-LBPRGKRZSA-N 1 0 383.286 2.698 20 0 GFADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)Nc1cc(F)c(Br)c(F)c1 ZINC000182541743 552287148 /nfs/dbraw/zinc/28/71/48/552287148.db2.gz QUEAGZSKSBNSAD-NSHDSACASA-N 1 0 392.244 2.960 20 0 GFADRO CC[C@H]([NH2+]CC(=O)Nc1cccc(S(N)(=O)=O)c1)c1cccc(Cl)c1 ZINC000182597331 552288138 /nfs/dbraw/zinc/28/81/38/552288138.db2.gz QGCJFKDOCUZZBI-INIZCTEOSA-N 1 0 381.885 2.667 20 0 GFADRO CC[C@@H](C)[C@H](NC(=O)C[NH2+][C@@H](C)c1ccc(Br)cc1)C(=O)OC ZINC000182728550 552291192 /nfs/dbraw/zinc/29/11/92/552291192.db2.gz UWJIWAAAQVAPQH-WQGACYEGSA-N 1 0 385.302 2.804 20 0 GFADRO C[S@](=O)C[C@@H]([NH2+]C[C@H](O)COCc1ccc(Cl)cc1)c1ccccc1 ZINC000183101977 552300422 /nfs/dbraw/zinc/30/04/22/552300422.db2.gz HVRZJWBRILYEOY-CEYNDMKZSA-N 1 0 381.925 2.927 20 0 GFADRO COc1ccc(Br)cc1C[NH2+][C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000183198000 552302519 /nfs/dbraw/zinc/30/25/19/552302519.db2.gz DHRJROQVHSVEGN-ZFWWWQNUSA-N 1 0 376.316 2.903 20 0 GFADRO Cc1[nH]cc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)c(=O)c1Br ZINC000183221952 552303085 /nfs/dbraw/zinc/30/30/85/552303085.db2.gz ALFVHVRGKHTCCG-OLZOCXBDSA-N 1 0 382.302 2.945 20 0 GFADRO CCOC(=O)c1c(C)c(C)sc1NC(=O)C[C@@H](C)[NH2+][C@H](C)C[S@](C)=O ZINC000183206442 552303362 /nfs/dbraw/zinc/30/33/62/552303362.db2.gz QRXXTPYOIWXDRH-PQIHIXOVSA-N 1 0 388.555 2.615 20 0 GFADRO Cc1[nH]cc(C(=O)N2CCC[N@@H+](C3CCCC3)CC2)c(=O)c1Br ZINC000183213412 552303441 /nfs/dbraw/zinc/30/34/41/552303441.db2.gz HSFHDFATKSTNOP-UHFFFAOYSA-N 1 0 382.302 2.949 20 0 GFADRO COC(=O)c1ccc(Cl)cc1S(=O)(=O)NCC[C@@H](C)[NH+]1CCCCC1 ZINC000183289742 552304799 /nfs/dbraw/zinc/30/47/99/552304799.db2.gz NYZGWVVSFFSNGM-CYBMUJFWSA-N 1 0 388.917 2.669 20 0 GFADRO COCC[NH+]1CCC(NC(=O)c2cccc(Br)c2Cl)CC1 ZINC000183430082 552309091 /nfs/dbraw/zinc/30/90/91/552309091.db2.gz YLMYTOHLRQGCFP-UHFFFAOYSA-N 1 0 375.694 2.943 20 0 GFADRO CN(C)c1cc[nH+]cc1C(=O)N[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000183533003 552312246 /nfs/dbraw/zinc/31/22/46/552312246.db2.gz QTILHHQLSVSWBW-AWEZNQCLSA-N 1 0 389.297 2.919 20 0 GFADRO Cc1cccc(OC[C@@H](O)C[NH2+][C@H](CO)c2cccc(Br)c2)c1 ZINC000183892996 552321958 /nfs/dbraw/zinc/32/19/58/552321958.db2.gz DYRGYZJPKLEZQZ-FUHWJXTLSA-N 1 0 380.282 2.820 20 0 GFADRO C[C@@H](CS(C)(=O)=O)[NH2+]C1CCN(Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000184084171 552327584 /nfs/dbraw/zinc/32/75/84/552327584.db2.gz UTLPOCLHTKZYQH-LBPRGKRZSA-N 1 0 379.353 2.981 20 0 GFADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)[C@@H](C)c1ccc(Br)s1 ZINC000184349985 552333220 /nfs/dbraw/zinc/33/32/20/552333220.db2.gz IZDWXAXBMHUCOZ-OLZOCXBDSA-N 1 0 388.375 2.756 20 0 GFADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)[C@@H](C)Cc1ccc(Br)cc1 ZINC000184368896 552333961 /nfs/dbraw/zinc/33/39/61/552333961.db2.gz VUUXHFXTWHLRJL-HOTGVXAUSA-N 1 0 396.373 2.770 20 0 GFADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)C(C)(C)c1ccc(Br)cc1 ZINC000184376440 552334176 /nfs/dbraw/zinc/33/41/76/552334176.db2.gz HWKNOGYRBFBTSV-OAHLLOKOSA-N 1 0 396.373 2.869 20 0 GFADRO CCc1nc([C@@H](C)[NH2+]CCOc2ccc(S(=O)(=O)N(C)C)cc2)cs1 ZINC000184681208 552342490 /nfs/dbraw/zinc/34/24/90/552342490.db2.gz KXCQGZVSGADLBN-CYBMUJFWSA-N 1 0 383.539 2.685 20 0 GFADRO CC(C)OCC[NH+]1CCN(C[C@H](O)c2ccc(F)c(Br)c2)CC1 ZINC000185016523 552351271 /nfs/dbraw/zinc/35/12/71/552351271.db2.gz XMMFHIGDMSKYMD-KRWDZBQOSA-N 1 0 389.309 2.664 20 0 GFADRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2S(=O)(=O)c2ccc(Br)cc2F)C1 ZINC000185282149 552359757 /nfs/dbraw/zinc/35/97/57/552359757.db2.gz SVULVUJGMZQSBA-BXUZGUMPSA-N 1 0 391.306 2.693 20 0 GFADRO Cc1nc(NC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)ccc1Br ZINC000185575492 552366310 /nfs/dbraw/zinc/36/63/10/552366310.db2.gz LRVSBTSOELUORI-CYBMUJFWSA-N 1 0 385.306 2.631 20 0 GFADRO C[NH+](C)C1(CNC(=O)N2Cc3cccc(Br)c3C2)CCOCC1 ZINC000185736002 552369789 /nfs/dbraw/zinc/36/97/89/552369789.db2.gz VFQFRVAPSONMEL-UHFFFAOYSA-N 1 0 382.302 2.585 20 0 GFADRO CSCc1ccccc1NC(=O)C(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000186201109 552381640 /nfs/dbraw/zinc/38/16/40/552381640.db2.gz CMFCJRLCYOFXIQ-OAHLLOKOSA-N 1 0 377.535 2.969 20 0 GFADRO CC[NH+](CC)CCNC(=O)c1ncc(Br)cc1Br ZINC000186273142 552383289 /nfs/dbraw/zinc/38/32/89/552383289.db2.gz GHLYZPGEIHBGRE-UHFFFAOYSA-N 1 0 379.096 2.678 20 0 GFADRO O=C(NCC1=CC[NH2+]CC1)c1ccc(I)c(Cl)c1 ZINC000186387420 552386700 /nfs/dbraw/zinc/38/67/00/552386700.db2.gz WELFDTNUHVYNJV-UHFFFAOYSA-N 1 0 376.625 2.594 20 0 GFADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N[C@@H](C)c1ccc(Cl)cc1 ZINC000186604105 552391925 /nfs/dbraw/zinc/39/19/25/552391925.db2.gz WBBUPRNBUVARBV-LBPRGKRZSA-N 1 0 384.933 2.754 20 0 GFADRO Cc1cc(Br)ccc1CC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C ZINC000186944323 552402603 /nfs/dbraw/zinc/40/26/03/552402603.db2.gz ZKOYWKCTXOGXPP-AWEZNQCLSA-N 1 0 383.330 2.604 20 0 GFADRO C[C@H](NC(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C)c1ccc(Br)cc1 ZINC000187149931 552407730 /nfs/dbraw/zinc/40/77/30/552407730.db2.gz YJJOJSJOVDHDJV-KGLIPLIRSA-N 1 0 398.345 2.997 20 0 GFADRO CNS(=O)(=O)CC[NH2+][C@@H](C)c1cnn(-c2ccc(Cl)cc2Cl)c1C ZINC000187170338 552408505 /nfs/dbraw/zinc/40/85/05/552408505.db2.gz WWDYZAODSYWJPE-JTQLQIEISA-N 1 0 391.324 2.687 20 0 GFADRO Cc1cc(Br)cc(S(=O)(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000187335544 552412946 /nfs/dbraw/zinc/41/29/46/552412946.db2.gz MJBSWNWKRIJHTG-SWLSCSKDSA-N 1 0 375.332 2.718 20 0 GFADRO O=C(Cc1cncs1)NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000187809065 552424902 /nfs/dbraw/zinc/42/49/02/552424902.db2.gz LZAKRAODHRZJKV-UHFFFAOYSA-N 1 0 378.929 2.668 20 0 GFADRO Cc1ccc(CC(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)cc1Br ZINC000188071657 552433551 /nfs/dbraw/zinc/43/35/51/552433551.db2.gz NWEHXKNUBIABCE-INIZCTEOSA-N 1 0 395.341 2.917 20 0 GFADRO CC[NH+](CC)C[C@@H]1CCN(C(=O)C(=O)Nc2cc(C)cc(Br)c2)C1 ZINC000188111618 552435555 /nfs/dbraw/zinc/43/55/55/552435555.db2.gz RCVDUGQSQZVZSH-AWEZNQCLSA-N 1 0 396.329 2.886 20 0 GFADRO CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccc(Br)o1 ZINC000188133165 552436645 /nfs/dbraw/zinc/43/66/45/552436645.db2.gz IQWQIXWEYYCGNT-SFHVURJKSA-N 1 0 393.281 2.751 20 0 GFADRO CCOc1cc(Br)c(CC(=O)N2CC[NH2+][C@H](C)C2)cc1OCC ZINC000188376941 552443772 /nfs/dbraw/zinc/44/37/72/552443772.db2.gz IULZHBOEBYMJNB-GFCCVEGCSA-N 1 0 385.302 2.609 20 0 GFADRO CCN(Cc1cc(Br)ccc1F)C(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC000188492013 552446550 /nfs/dbraw/zinc/44/65/50/552446550.db2.gz HMQAQKTVQXHQJM-UHFFFAOYSA-N 1 0 381.249 2.619 20 0 GFADRO C[C@H](CS(=O)(=O)c1ccccc1)[NH2+]CC1CCN(CC(F)(F)F)CC1 ZINC000188517569 552447163 /nfs/dbraw/zinc/44/71/63/552447163.db2.gz PIDQEHHIGZECCM-CQSZACIVSA-N 1 0 378.460 2.713 20 0 GFADRO C[C@@H]([NH2+]CCOCC(F)F)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000188755406 552454533 /nfs/dbraw/zinc/45/45/33/552454533.db2.gz IWWUROJLBCLJII-CQSZACIVSA-N 1 0 376.469 2.794 20 0 GFADRO CCN(C)C(=O)[C@H](C)[NH2+]Cc1cn(-c2ccc(Br)cc2)nc1C ZINC000188888006 552458183 /nfs/dbraw/zinc/45/81/83/552458183.db2.gz QLSBMEFDDQPVCP-ZDUSSCGKSA-N 1 0 379.302 2.900 20 0 GFADRO C[C@H](Cn1cc(Br)cn1)[NH2+][C@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000189039647 552461379 /nfs/dbraw/zinc/46/13/79/552461379.db2.gz DLWXVOFUJVMNLJ-WBMJQRKESA-N 1 0 395.276 2.564 20 0 GFADRO C[C@@H](C[NH+]1CCCCC1)NS(=O)(=O)Cc1ccc(Br)cc1 ZINC000189129321 552464180 /nfs/dbraw/zinc/46/41/80/552464180.db2.gz CUEDPFVQQVOEJH-ZDUSSCGKSA-N 1 0 375.332 2.743 20 0 GFADRO C[C@@H]([NH2+]Cc1ccc(S(=O)(=O)CCO)cc1)c1cnc2ccsc2c1 ZINC000189153195 552464681 /nfs/dbraw/zinc/46/46/81/552464681.db2.gz NGFUJMZSIWRSKN-CYBMUJFWSA-N 1 0 376.503 2.913 20 0 GFADRO C[N@@H+](C[C@H](O)CC(F)(F)F)C[C@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000189279364 552467648 /nfs/dbraw/zinc/46/76/48/552467648.db2.gz UMKGAFZXWGMMOQ-NEPJUHHUSA-N 1 0 375.309 2.690 20 0 GFADRO CCN(C)C(=O)[C@H](C)[NH2+]C1CCN(Cc2ccccc2Br)CC1 ZINC000189407612 552471019 /nfs/dbraw/zinc/47/10/19/552471019.db2.gz VJGHKNPCNJAASL-AWEZNQCLSA-N 1 0 382.346 2.870 20 0 GFADRO Cc1cc([C@@H](C)NS(=O)(=O)c2c(C)nn(CC[NH+](C)C)c2C)c(C)s1 ZINC000189789487 552479792 /nfs/dbraw/zinc/47/97/92/552479792.db2.gz WCCUSFQMOSLRGN-GFCCVEGCSA-N 1 0 384.571 2.779 20 0 GFADRO CCNS(=O)(=O)[C@@H]1CCN(Cc2ccc(Br)c(Cl)c2)C1 ZINC000189808142 552480173 /nfs/dbraw/zinc/48/01/73/552480173.db2.gz JYRJEHOPDZIJJP-LLVKDONJSA-N 1 0 381.723 2.616 20 0 GFADRO Cc1ccc(NC(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCC2)c(Br)c1 ZINC000190020324 552485728 /nfs/dbraw/zinc/48/57/28/552485728.db2.gz VOHXDYAXNQLDQQ-AWEZNQCLSA-N 1 0 394.313 2.783 20 0 GFADRO Cc1cc(F)c(Br)cc1S(=O)(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000190036538 552486193 /nfs/dbraw/zinc/48/61/93/552486193.db2.gz IZXDLUNWBZKMPK-NEPJUHHUSA-N 1 0 391.306 2.754 20 0 GFADRO CC[C@H]([NH2+]CC1CN(S(=O)(=O)CC)C1)c1ccc(Br)cc1 ZINC000190155964 552488770 /nfs/dbraw/zinc/48/87/70/552488770.db2.gz STPQBAULEYYWDA-HNNXBMFYSA-N 1 0 375.332 2.771 20 0 GFADRO CC1(C)C[N@H+](CCOc2ccc(S(N)(=O)=O)cc2)CC[C@H]1C(F)(F)F ZINC000190169759 552489194 /nfs/dbraw/zinc/48/91/94/552489194.db2.gz HPLREGXZYQLILU-CQSZACIVSA-N 1 0 380.432 2.623 20 0 GFADRO CCCN(CCC[NH+](C)C)C(=O)C(=O)Nc1ccc(Br)cc1F ZINC000190161146 552489251 /nfs/dbraw/zinc/48/92/51/552489251.db2.gz AWKPPQVMPAHVMK-UHFFFAOYSA-N 1 0 388.281 2.717 20 0 GFADRO COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)NCC(C)(C)C[NH+](C)C ZINC000190440487 552496716 /nfs/dbraw/zinc/49/67/16/552496716.db2.gz LBCYPJNVGROLGV-CYBMUJFWSA-N 1 0 392.949 2.620 20 0 GFADRO Cc1cc(NC(=O)C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)cc(C)c1Br ZINC000190605229 552502816 /nfs/dbraw/zinc/50/28/16/552502816.db2.gz UWZJOINLLLZXPW-ZFWWWQNUSA-N 1 0 396.329 2.993 20 0 GFADRO CCS(=O)(=O)N1CC(C[NH2+][C@@H](C)c2ccc(Br)cc2F)C1 ZINC000190682583 552505860 /nfs/dbraw/zinc/50/58/60/552505860.db2.gz INBGEHXRXOVUMK-JTQLQIEISA-N 1 0 379.295 2.520 20 0 GFADRO C[NH+](C)C[C@H]1CCN(S(=O)(=O)c2cc(Cl)c(Br)cc2F)C1 ZINC000190726391 552507067 /nfs/dbraw/zinc/50/70/67/552507067.db2.gz ZNASNZFOOSMTIF-SECBINFHSA-N 1 0 399.713 2.814 20 0 GFADRO CS[C@H](C)C(=O)Nc1ccc(CN2CC[NH+](C)CC2)c(Br)c1 ZINC000191083744 552518325 /nfs/dbraw/zinc/51/83/25/552518325.db2.gz OQIRNRLSCUSAHU-GFCCVEGCSA-N 1 0 386.359 2.887 20 0 GFADRO C[C@@H]1CC(O)C[C@@H](C)N1Cc1csc(-c2ccc(S(C)(=O)=O)cc2)n1 ZINC000191275043 552523157 /nfs/dbraw/zinc/52/31/57/552523157.db2.gz CEJUQEARXYHCMV-CHWSQXEVSA-N 1 0 380.535 2.947 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1nc(Br)ccc1Br ZINC000191279975 552523615 /nfs/dbraw/zinc/52/36/15/552523615.db2.gz ZBVFHIRCCFVGAK-SECBINFHSA-N 1 0 391.107 2.821 20 0 GFADRO Nn1c(SCCC[NH+]2CCCCC2)nnc1-c1cncc(Br)c1 ZINC000191831061 552539616 /nfs/dbraw/zinc/53/96/16/552539616.db2.gz BIDLPBAEVIPNPW-UHFFFAOYSA-N 1 0 397.346 2.785 20 0 GFADRO O=C(Cc1ccc(I)cc1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000192038052 552547214 /nfs/dbraw/zinc/54/72/14/552547214.db2.gz ABNGJGWSQPUXTR-HNNXBMFYSA-N 1 0 384.261 2.530 20 0 GFADRO C[C@@H](C(=O)Nc1cc(Cl)c(NC(=O)c2cnccn2)c(Cl)c1)[C@H](C)[NH3+] ZINC000192056271 552548365 /nfs/dbraw/zinc/54/83/65/552548365.db2.gz LFUYBOLERHMBLV-BDAKNGLRSA-N 1 0 382.251 2.958 20 0 GFADRO C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)Nc2cccc(Cl)c2Br)C1 ZINC000192079273 552549703 /nfs/dbraw/zinc/54/97/03/552549703.db2.gz VDZCLKYZGFFWKM-SNVBAGLBSA-N 1 0 388.693 2.594 20 0 GFADRO O=S(=O)(c1ccc(Cl)c(Br)c1)N1CC[C@@H](N2CC=CC2)C1 ZINC000192215733 552556308 /nfs/dbraw/zinc/55/63/08/552556308.db2.gz RVJGELSCVLLHBA-LLVKDONJSA-N 1 0 391.718 2.737 20 0 GFADRO C[NH2+]C[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)c(Br)c2)C1 ZINC000192389476 552561171 /nfs/dbraw/zinc/56/11/71/552561171.db2.gz HZLMKODHDAURCV-SNVBAGLBSA-N 1 0 381.723 2.723 20 0 GFADRO O=C(c1ncc(Br)s1)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000192431224 552563546 /nfs/dbraw/zinc/56/35/46/552563546.db2.gz CEXQEIHQVRLBGH-UHFFFAOYSA-N 1 0 388.331 2.623 20 0 GFADRO C[C@H]([NH2+][C@@H](C)c1ccc(S(N)(=O)=O)cc1)C(=O)Nc1ccc(Cl)cc1 ZINC000192656969 552568577 /nfs/dbraw/zinc/56/85/77/552568577.db2.gz CCHMFHGJIFJLJS-RYUDHWBXSA-N 1 0 381.885 2.665 20 0 GFADRO COc1cc(Cl)c(S(=O)(=O)N[C@@H](C)C[NH+]2CCCCC2)cc1OC ZINC000192830738 552975137 /nfs/dbraw/zinc/97/51/37/552975137.db2.gz GXRNCWYTLSKGGD-LBPRGKRZSA-N 1 0 376.906 2.510 20 0 GFADRO CC[NH+](CC)[C@H](CNC(=O)C(=O)Nc1ccc(Br)cn1)CC(C)C ZINC000192904748 552977533 /nfs/dbraw/zinc/97/75/33/552977533.db2.gz PHEKOPDDZLICRD-AWEZNQCLSA-N 1 0 399.333 2.655 20 0 GFADRO C[NH+](C)CCOc1ccccc1CNC(=O)c1ncccc1Br ZINC000193006150 552980195 /nfs/dbraw/zinc/98/01/95/552980195.db2.gz ZJCCKHDCLFAGMT-UHFFFAOYSA-N 1 0 378.270 2.715 20 0 GFADRO CC[NH2+]CCNS(=O)(=O)c1cc(Br)c(Cl)cc1Cl ZINC000193256445 552987943 /nfs/dbraw/zinc/98/79/43/552987943.db2.gz PENBMOIBNMKZJN-UHFFFAOYSA-N 1 0 376.103 2.644 20 0 GFADRO CC[NH2+]CCNS(=O)(=O)c1ccc(Br)c(Cl)c1Cl ZINC000193256413 552988068 /nfs/dbraw/zinc/98/80/68/552988068.db2.gz GFFLMRXVOHYNGU-UHFFFAOYSA-N 1 0 376.103 2.644 20 0 GFADRO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000193285566 552988767 /nfs/dbraw/zinc/98/87/67/552988767.db2.gz UNYMMBQFBPQZQD-MJBXVCDLSA-N 1 0 390.933 2.502 20 0 GFADRO CCC(CC)[C@H](CNC(=O)C(=O)Nc1ccc(Br)c(C)n1)[NH+](C)C ZINC000193280935 552988942 /nfs/dbraw/zinc/98/89/42/552988942.db2.gz VKKFNZFIWINLCH-AWEZNQCLSA-N 1 0 399.333 2.574 20 0 GFADRO CSc1ccc(S(=O)(=O)N2CCC(OCCC[NH3+])CC2)cc1Cl ZINC000193303865 552989351 /nfs/dbraw/zinc/98/93/51/552989351.db2.gz DEIQMTMFTORGCM-UHFFFAOYSA-N 1 0 378.947 2.580 20 0 GFADRO Cc1cc(F)c(Br)cc1S(=O)(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000193430059 552992818 /nfs/dbraw/zinc/99/28/18/552992818.db2.gz MXVILPYSKFGQQI-UHFFFAOYSA-N 1 0 399.285 2.978 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)C(=O)NCCC[NH+]1CCCCC1 ZINC000193552455 552996724 /nfs/dbraw/zinc/99/67/24/552996724.db2.gz FCZRSENIEFQHJK-UHFFFAOYSA-N 1 0 382.302 2.688 20 0 GFADRO [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)CCc1ccc(Cl)cc1Cl ZINC000193704016 553001056 /nfs/dbraw/zinc/00/10/56/553001056.db2.gz NNSIWYWZGMTWBE-OAHLLOKOSA-N 1 0 386.323 2.772 20 0 GFADRO O=S(=O)(c1c(F)c(F)cc(F)c1F)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000193763579 553002599 /nfs/dbraw/zinc/00/25/99/553002599.db2.gz ZKLVGVQTZDYDGP-LLVKDONJSA-N 1 0 380.407 2.882 20 0 GFADRO COCc1nc2n(n1)C[C@@H]([NH2+][C@@H]1CCc3ccc(Br)cc31)CC2 ZINC000193994542 553009155 /nfs/dbraw/zinc/00/91/55/553009155.db2.gz UFRICNQLASMKJP-DZGCQCFKSA-N 1 0 377.286 2.779 20 0 GFADRO COCc1nc2n(n1)C[C@H]([NH2+][C@H]1CCc3ccc(Br)cc31)CC2 ZINC000193994552 553009249 /nfs/dbraw/zinc/00/92/49/553009249.db2.gz UFRICNQLASMKJP-HIFRSBDPSA-N 1 0 377.286 2.779 20 0 GFADRO Cc1cc(N2CC[C@H]([NH2+][C@@H]3CCc4ccc(Br)cc43)C2=O)n(C)n1 ZINC000193994002 553009461 /nfs/dbraw/zinc/00/94/61/553009461.db2.gz SPXKAQXMCHVVNI-CVEARBPZSA-N 1 0 389.297 2.873 20 0 GFADRO CCCN(CC[NH+](CC)CC)C(=O)C(=O)Nc1cc(C)c(Br)cn1 ZINC000194264303 553016116 /nfs/dbraw/zinc/01/61/16/553016116.db2.gz HGQMDXAHQBTQST-UHFFFAOYSA-N 1 0 399.333 2.671 20 0 GFADRO Cc1cnc(NCc2ccc(N3CC[NH+](C)CC3)nc2)c(Br)c1 ZINC000194312030 553017036 /nfs/dbraw/zinc/01/70/36/553017036.db2.gz FRMBRQWLGJODTP-UHFFFAOYSA-N 1 0 376.302 2.911 20 0 GFADRO CS(=O)(=O)N(CC[NH+]1CCCCC1)Cc1cccc(Br)c1 ZINC000194402336 553019840 /nfs/dbraw/zinc/01/98/40/553019840.db2.gz VAMUTRNSMVKDPI-UHFFFAOYSA-N 1 0 375.332 2.697 20 0 GFADRO Cc1ccc(Cl)cc1S(=O)(=O)Nc1cc(C(N)=O)ccc1C[NH+](C)C ZINC000194588485 553024529 /nfs/dbraw/zinc/02/45/29/553024529.db2.gz KATFEIZFBAEQBV-UHFFFAOYSA-N 1 0 381.885 2.610 20 0 GFADRO [NH3+]C[C@H](NS(=O)(=O)c1cc(Br)c(F)cc1F)C1CCCC1 ZINC000194771744 553029534 /nfs/dbraw/zinc/02/95/34/553029534.db2.gz SMSSGJIATZCZPQ-LBPRGKRZSA-N 1 0 383.258 2.523 20 0 GFADRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)Nc1ccc(Cl)cc1Cl ZINC000195055208 553037014 /nfs/dbraw/zinc/03/70/14/553037014.db2.gz OERWLPMIPDAWSD-CYBMUJFWSA-N 1 0 388.295 2.501 20 0 GFADRO O=S(=O)(CCc1cccs1)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000195369122 553046585 /nfs/dbraw/zinc/04/65/85/553046585.db2.gz PXBGYSYXDUVPIO-SFHVURJKSA-N 1 0 378.563 2.775 20 0 GFADRO Cc1cc(NC(=O)CNC(=O)C2CC[NH+](C3CC3)CC2)ccc1Br ZINC000195404586 553047909 /nfs/dbraw/zinc/04/79/09/553047909.db2.gz RZBBRCFLACVTKJ-UHFFFAOYSA-N 1 0 394.313 2.687 20 0 GFADRO C[C@H](NC(=O)c1ccc(F)cc1I)[C@@H]1CCC[NH2+]C1 ZINC000226235667 553061709 /nfs/dbraw/zinc/06/17/09/553061709.db2.gz JPBDZTRLLJITPZ-VHSXEESVSA-N 1 0 376.213 2.548 20 0 GFADRO [NH3+]C[C@H]1CCC[C@@H]1NC(=O)c1cc(Cl)ccc1I ZINC000226269920 553061724 /nfs/dbraw/zinc/06/17/24/553061724.db2.gz BUQMKNPRTOYCJA-PELKAZGASA-N 1 0 378.641 2.802 20 0 GFADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3ccc(I)cc3)CC[C@H]21 ZINC000227336871 553062617 /nfs/dbraw/zinc/06/26/17/553062617.db2.gz XIKPMHSXMZDPDG-UKRRQHHQSA-N 1 0 384.261 2.848 20 0 GFADRO C[C@H](CNS(=O)(=O)c1cc(Br)ccc1F)[N@@H+]1CCC[C@@H](C)C1 ZINC000228390531 553063192 /nfs/dbraw/zinc/06/31/92/553063192.db2.gz UNSORCONDPLJFH-VXGBXAGGSA-N 1 0 393.322 2.987 20 0 GFADRO C[NH+](C)C[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)c(Br)c1 ZINC000234235380 553067421 /nfs/dbraw/zinc/06/74/21/553067421.db2.gz ZNOOEYRQMULJTN-SNVBAGLBSA-N 1 0 381.723 2.817 20 0 GFADRO CC(C)(C[NH3+])C(=O)Nc1ccc(Br)c(I)c1 ZINC000236623160 553069874 /nfs/dbraw/zinc/06/98/74/553069874.db2.gz DZZLNMIGRPMGSH-UHFFFAOYSA-N 1 0 397.054 2.977 20 0 GFADRO O=C(NC[C@@H]1CCN(c2cccc(Br)c2)C1)[C@@H]1CC12CC[NH2+]CC2 ZINC000236655719 553070495 /nfs/dbraw/zinc/07/04/95/553070495.db2.gz SYWFEPIMMSLHOZ-YOEHRIQHSA-N 1 0 392.341 2.781 20 0 GFADRO CCC(CC)(C[NH3+])C(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 ZINC000236716135 553070996 /nfs/dbraw/zinc/07/09/96/553070996.db2.gz RMDIMWUBTVMZAB-UHFFFAOYSA-N 1 0 387.933 2.828 20 0 GFADRO Cc1c(C(=O)N[C@@](C)(C[NH3+])CC(C)C)nnn1-c1cccc(Br)c1 ZINC000236718560 553071145 /nfs/dbraw/zinc/07/11/45/553071145.db2.gz AOKNBTWVXXUCPX-QGZVFWFLSA-N 1 0 394.317 2.832 20 0 GFADRO CC(C)c1n[nH]c(C(=O)NCCC[NH2+]Cc2cccnc2)c1Br ZINC000236815493 553071507 /nfs/dbraw/zinc/07/15/07/553071507.db2.gz SKMABPRMRCEJGK-UHFFFAOYSA-N 1 0 380.290 2.600 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)N1CCCC[C@@H]1C[NH3+] ZINC000236824944 553071598 /nfs/dbraw/zinc/07/15/98/553071598.db2.gz DNKRJJXYYRZFHG-LSDHHAIUSA-N 1 0 384.567 2.691 20 0 GFADRO CCOc1cc(Br)c(CC(=O)N2CCC[C@@H]2C[NH3+])cc1OCC ZINC000236878734 553072957 /nfs/dbraw/zinc/07/29/57/553072957.db2.gz NNZRAEHSORBHMK-CYBMUJFWSA-N 1 0 385.302 2.739 20 0 GFADRO CC[NH2+]CCNC(=O)Cc1ccc(NC(=O)c2ccc(Br)o2)cc1 ZINC000236920702 553072992 /nfs/dbraw/zinc/07/29/92/553072992.db2.gz PKNQQIWZXXCPSM-UHFFFAOYSA-N 1 0 394.269 2.563 20 0 GFADRO CC[C@H](C)[C@H]([NH3+])C(=O)N1CCC(C(=O)Nc2ccccc2Br)CC1 ZINC000237000351 553073584 /nfs/dbraw/zinc/07/35/84/553073584.db2.gz XKGPDSCOFXSIBQ-LRDDRELGSA-N 1 0 396.329 3.000 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)C1(C[NH3+])CCCC1 ZINC000237091910 553074045 /nfs/dbraw/zinc/07/40/45/553074045.db2.gz ODKIPFKOFDVLEC-UHFFFAOYSA-N 1 0 382.302 2.674 20 0 GFADRO COCC[C@H](Cc1cccc(Br)c1)C(=O)N[C@](C)(C[NH3+])C1CC1 ZINC000237119191 553074799 /nfs/dbraw/zinc/07/47/99/553074799.db2.gz PDZHVQGVYALSIW-RDTXWAMCSA-N 1 0 383.330 2.888 20 0 GFADRO C[C@@H](NC(=O)[C@@H]1CCCC[NH2+]1)c1nc(-c2ccc(Br)cc2)no1 ZINC000237346268 553077062 /nfs/dbraw/zinc/07/70/62/553077062.db2.gz CXFLRKUQPUARBS-MFKMUULPSA-N 1 0 379.258 2.818 20 0 GFADRO C[C@H](C[NH3+])CNC(=O)c1nn(-c2cccc(Br)c2)c2c1CCCC2 ZINC000237594275 553079281 /nfs/dbraw/zinc/07/92/81/553079281.db2.gz UTPHDOFJRZFXGV-GFCCVEGCSA-N 1 0 391.313 2.838 20 0 GFADRO C[C@H]1C[NH2+]CCN1C(=O)Cc1csc(-c2cc(Br)cs2)n1 ZINC000237626291 553079881 /nfs/dbraw/zinc/07/98/81/553079881.db2.gz OVCZRJXEARXLAG-VIFPVBQESA-N 1 0 386.340 2.997 20 0 GFADRO Cc1nc2n(n1)C[C@H]([NH2+]CC1=Cc3cc(Br)ccc3OC1)CC2 ZINC000237705421 553080354 /nfs/dbraw/zinc/08/03/54/553080354.db2.gz GJZAPHGFSAVEIK-OAHLLOKOSA-N 1 0 375.270 2.729 20 0 GFADRO O=C(N[C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1)[C@@H]1CCCC[NH2+]1 ZINC000237707842 553080381 /nfs/dbraw/zinc/08/03/81/553080381.db2.gz XSUAVPIYWGKOHF-AAEUAGOBSA-N 1 0 376.810 2.591 20 0 GFADRO O=C(NC[C@@H]1CCCN(C(=O)c2cc(Cl)ccc2Cl)C1)[C@@H]1CCC[NH2+]1 ZINC000237713736 553081172 /nfs/dbraw/zinc/08/11/72/553081172.db2.gz UYNHXTFXMRQHQJ-LRDDRELGSA-N 1 0 384.307 2.714 20 0 GFADRO O=S(=O)(c1cc(Br)ccc1F)N1CCC([NH2+]CC2CC2)CC1 ZINC000237732859 553081267 /nfs/dbraw/zinc/08/12/67/553081267.db2.gz PFDQWFUDYXTOBX-UHFFFAOYSA-N 1 0 391.306 2.741 20 0 GFADRO Cc1ccc(C(F)(F)F)cc1S(=O)(=O)N1CCC(OCCC[NH3+])CC1 ZINC000237809396 553082392 /nfs/dbraw/zinc/08/23/92/553082392.db2.gz PXGXCNXISSHVFM-UHFFFAOYSA-N 1 0 380.432 2.532 20 0 GFADRO O=C(NC[C@@H]1CCCN(C(=O)c2cccc(Cl)c2Cl)C1)[C@@H]1CCC[NH2+]1 ZINC000237837242 553082822 /nfs/dbraw/zinc/08/28/22/553082822.db2.gz PNEDXHJKHHCRIG-WFASDCNBSA-N 1 0 384.307 2.714 20 0 GFADRO [NH3+][C@H](CC(=O)NC[C@@H](O)COc1cccc(Cl)c1Cl)c1ccccc1 ZINC000237857236 553083196 /nfs/dbraw/zinc/08/31/96/553083196.db2.gz HPVGHPIRGKOKDI-UKRRQHHQSA-N 1 0 383.275 2.939 20 0 GFADRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000237884740 553083420 /nfs/dbraw/zinc/08/34/20/553083420.db2.gz NQLJSMIVEMKDDA-RBOXIYTFSA-N 1 0 384.307 2.980 20 0 GFADRO [NH3+][C@@H]1CCC[C@H](C(=O)Nc2ncn(Cc3cccc(Br)c3)n2)C1 ZINC000237909223 553084090 /nfs/dbraw/zinc/08/40/90/553084090.db2.gz WYBUHVHPBGROHM-GXTWGEPZSA-N 1 0 378.274 2.545 20 0 GFADRO O=C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1nn(-c2ccc(F)cc2)cc1Br ZINC000237943133 553084168 /nfs/dbraw/zinc/08/41/68/553084168.db2.gz BARMSBDJZVXOQA-FUNVUKJBSA-N 1 0 393.260 2.787 20 0 GFADRO [NH3+]C[C@H]1CCCC[C@H]1NC(=O)c1cc(=O)c2cc(Br)ccc2[nH]1 ZINC000238017119 553085089 /nfs/dbraw/zinc/08/50/89/553085089.db2.gz FYGPDTSTWVZSQJ-ZWNOBZJWSA-N 1 0 378.270 2.538 20 0 GFADRO [NH3+][C@H]1CCC[C@@H](C(=O)Nc2ncn(Cc3cccc(Br)c3)n2)C1 ZINC000238029576 553085166 /nfs/dbraw/zinc/08/51/66/553085166.db2.gz WYBUHVHPBGROHM-OCCSQVGLSA-N 1 0 378.274 2.545 20 0 GFADRO [NH3+]C[C@H]1CCC[C@@H]1NC(=O)C1(c2ccc(Br)cc2)CCOCC1 ZINC000238060199 553085740 /nfs/dbraw/zinc/08/57/40/553085740.db2.gz AWHQKFYDDVKHJR-CJNGLKHVSA-N 1 0 381.314 2.741 20 0 GFADRO O=C(Nc1ccc(Br)cn1)[C@@H]1CCC[N@@H+]([C@@H]2CCCC[C@H]2O)C1 ZINC000245573019 553093747 /nfs/dbraw/zinc/09/37/47/553093747.db2.gz AAFLOZZNWMIWNS-BPLDGKMQSA-N 1 0 382.302 2.798 20 0 GFADRO C[C@@H](Oc1ccccc1Br)C(=O)NCCCC[N@@H+]1CCC[C@H]1CO ZINC000245706993 553095659 /nfs/dbraw/zinc/09/56/59/553095659.db2.gz YACIZVWRUZCRIU-CABCVRRESA-N 1 0 399.329 2.570 20 0 GFADRO COC[C@H](C)S(=O)(=O)N[C@H]1CCN(C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000245925550 553099823 /nfs/dbraw/zinc/09/98/23/553099823.db2.gz SFKWAEFGXTVCAZ-AFAVFJNCSA-N 1 0 392.924 2.957 20 0 GFADRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1cnn2cc(Br)cnc12 ZINC000246098718 553102494 /nfs/dbraw/zinc/10/24/94/553102494.db2.gz JDHIXJKRXVHYOY-UPJWGTAASA-N 1 0 394.317 2.588 20 0 GFADRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)S(=O)(=O)c1cc(F)ccc1Br ZINC000246183828 553104108 /nfs/dbraw/zinc/10/41/08/553104108.db2.gz HJOTTXXQJKLAPK-ZWNOBZJWSA-N 1 0 379.295 2.549 20 0 GFADRO NC(=O)[C@H](c1ccc(Br)cc1)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000246436172 553107966 /nfs/dbraw/zinc/10/79/66/553107966.db2.gz CVCICFBHQGUQPB-JLSDUUJJSA-N 1 0 392.341 2.924 20 0 GFADRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2S(=O)(=O)c2ccc(F)c(Br)c2)C1 ZINC000246525111 553109335 /nfs/dbraw/zinc/10/93/35/553109335.db2.gz CLUSQVFZLQMSPW-NHYWBVRUSA-N 1 0 391.306 2.693 20 0 GFADRO CCOC(=O)[C@@H](CC)N1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000246549699 553109436 /nfs/dbraw/zinc/10/94/36/553109436.db2.gz CYLQZNUPOHTWGP-TZMCWYRMSA-N 1 0 398.301 2.836 20 0 GFADRO COC(=O)[C@@]1(C)CC[N@H+](CC(=O)N[C@H](C)c2ccc(Br)cc2)C1 ZINC000246645004 553111442 /nfs/dbraw/zinc/11/14/42/553111442.db2.gz XALPWPBKDCCGFT-PXAZEXFGSA-N 1 0 383.286 2.511 20 0 GFADRO Brc1cc(CN2CCS[C@@H]3COCC[C@H]32)cc2c1OCCO2 ZINC000246796343 553113543 /nfs/dbraw/zinc/11/35/43/553113543.db2.gz QQPFJQPZIQWSJG-UKRRQHHQSA-N 1 0 386.311 2.927 20 0 GFADRO C[C@@H](C(=O)Nc1cccc(Br)c1)[N@@H+]1CC[C@@H](c2cnn(C)c2)C1 ZINC000246858091 553114388 /nfs/dbraw/zinc/11/43/88/553114388.db2.gz DTRTYJNBIXFRBS-QWHCGFSZSA-N 1 0 377.286 2.999 20 0 GFADRO CC[C@@H]1CN(C(=O)Nc2ccc(F)cc2Br)CC[N@@H+]1C[C@H](C)O ZINC000246940487 553115799 /nfs/dbraw/zinc/11/57/99/553115799.db2.gz HMGOWEXKAWITDG-WCQYABFASA-N 1 0 388.281 2.897 20 0 GFADRO CC[C@H]1CN(C(=O)c2[nH]c3ccccc3c2Br)CC[N@@H+]1C[C@H](C)O ZINC000247026000 553117456 /nfs/dbraw/zinc/11/74/56/553117456.db2.gz WZRWKJVBCCUNFS-STQMWFEESA-N 1 0 394.313 2.848 20 0 GFADRO CN(CC(=O)Nc1c(F)cc(F)cc1Br)C[C@@H]1CCC[C@H]1O ZINC000247004416 553117478 /nfs/dbraw/zinc/11/74/78/553117478.db2.gz UFZIEMFRNRDDKB-TVQRCGJNSA-N 1 0 377.229 2.759 20 0 GFADRO CC[C@@H]1CN(C(=O)[C@H](C)Oc2ccc(Br)cc2)CC[N@@H+]1C[C@@H](C)O ZINC000247055569 553118290 /nfs/dbraw/zinc/11/82/90/553118290.db2.gz YSMXYCWWAHCVDP-IJEWVQPXSA-N 1 0 399.329 2.520 20 0 GFADRO CCOCCC[N@@H+]1CC[C@@H](NS(=O)(=O)c2ccc(F)c(Cl)c2)[C@@H](C)C1 ZINC000247085742 553118974 /nfs/dbraw/zinc/11/89/74/553118974.db2.gz DGJGUYCKONPQCU-SUMWQHHRSA-N 1 0 392.924 2.894 20 0 GFADRO C[C@@H]1Cc2cc(S(=O)(=O)N3CC[C@H]4[C@@H](CCC[N@@H+]4C)C3)cc(Cl)c2O1 ZINC000247214344 553120197 /nfs/dbraw/zinc/12/01/97/553120197.db2.gz XFJMWEPAIUKVTR-IGCXYCKISA-N 1 0 384.929 2.768 20 0 GFADRO O[C@H](COc1cc(Cl)ccc1Cl)C[N@@H+]1CCS[C@@H]2COCC[C@H]21 ZINC000247322193 553121204 /nfs/dbraw/zinc/12/12/04/553121204.db2.gz WGYHSPJUDRYGTJ-JGGQBBKZSA-N 1 0 378.321 2.939 20 0 GFADRO O[C@H](COc1cc(Cl)ccc1Cl)C[N@@H+]1CCS[C@H]2COCC[C@H]21 ZINC000247322176 553121300 /nfs/dbraw/zinc/12/13/00/553121300.db2.gz WGYHSPJUDRYGTJ-BJJXKVORSA-N 1 0 378.321 2.939 20 0 GFADRO O=S(=O)(C[C@H]1CCCO1)N[C@H]1CCCN(Cc2ccc(F)cc2Cl)C1 ZINC000247557277 553123740 /nfs/dbraw/zinc/12/37/40/553123740.db2.gz RCEFMSKHICFQAH-JKSUJKDBSA-N 1 0 390.908 2.542 20 0 GFADRO C[C@H](C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1)[N@@H+]1CC[C@@H](C)[C@H]1C ZINC000248343661 553128399 /nfs/dbraw/zinc/12/83/99/553128399.db2.gz KOZUYFGTENRBKQ-JHJVBQTASA-N 1 0 387.933 2.648 20 0 GFADRO C[N@@H+]1CCC[C@H]2CN(S(=O)(=O)c3ccc(Br)cc3F)CC[C@H]21 ZINC000248570123 553131257 /nfs/dbraw/zinc/13/12/57/553131257.db2.gz LRIMRERSBSFZAN-SMDDNHRTSA-N 1 0 391.306 2.693 20 0 GFADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)Nc3ccc(Cl)c(S(C)(=O)=O)c3)CC[C@H]21 ZINC000249033604 553137674 /nfs/dbraw/zinc/13/76/74/553137674.db2.gz MDICIFPUPQWATK-IUODEOHRSA-N 1 0 385.917 2.692 20 0 GFADRO COC(=O)[C@@H]1CC[N@H+](C[C@H](O)COc2c(Cl)cccc2Cl)C[C@@H]1C ZINC000249073921 553139014 /nfs/dbraw/zinc/13/90/14/553139014.db2.gz LLFXKVYSGLVNGA-RWMBFGLXSA-N 1 0 376.280 2.864 20 0 GFADRO Cc1ccc(NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c(Br)c1 ZINC000249112804 553139814 /nfs/dbraw/zinc/13/98/14/553139814.db2.gz AWCYMGRFKCWTOR-QWHCGFSZSA-N 1 0 382.302 2.637 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)C(=O)N[C@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000249981997 553146832 /nfs/dbraw/zinc/14/68/32/553146832.db2.gz AVHZVJHLNRKPDO-TZMCWYRMSA-N 1 0 396.329 2.933 20 0 GFADRO CCCNC(=O)[C@@H]1CCC[N@H+](C[C@@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000250524186 553147197 /nfs/dbraw/zinc/14/71/97/553147197.db2.gz PERHZZCXCCEERP-UKRRQHHQSA-N 1 0 389.323 2.971 20 0 GFADRO Brc1cnc(CN2CC[C@H]3[NH2+]CC[C@@H]3C2)c(Br)c1 ZINC000261566996 553153661 /nfs/dbraw/zinc/15/36/61/553153661.db2.gz IMKDVEZZTHRLIY-BXKDBHETSA-N 1 0 375.108 2.790 20 0 GFADRO NC(=O)[C@H](c1ccc(Br)cc1F)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000261611984 553154012 /nfs/dbraw/zinc/15/40/12/553154012.db2.gz CBNZXTLMOFGOOW-UAGQMJEPSA-N 1 0 392.272 2.541 20 0 GFADRO COC(=O)C[C@H](NC(=O)[C@@H]1CCC[C@@H]1C[NH3+])c1ccc(Br)cc1 ZINC000261616515 553154060 /nfs/dbraw/zinc/15/40/60/553154060.db2.gz AHKLXZFWDRQTKL-YUELXQCFSA-N 1 0 383.286 2.545 20 0 GFADRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)C1(c2ccc(Br)cc2)CCOCC1 ZINC000261620182 553154395 /nfs/dbraw/zinc/15/43/95/553154395.db2.gz BVICRJOHRZQZCM-KBPBESRZSA-N 1 0 381.314 2.693 20 0 GFADRO O=C(CN1CC[NH2+]C[C@H]1c1cccnc1)Nc1ccc(Br)cc1F ZINC000261618408 553154526 /nfs/dbraw/zinc/15/45/26/553154526.db2.gz CULOOSVQWDHYOM-INIZCTEOSA-N 1 0 393.260 2.568 20 0 GFADRO O=C(NC[C@@H]1CCCN(Cc2ccc(F)c(Br)c2)C1)[C@H]1CCC[NH2+]1 ZINC000261636383 553154571 /nfs/dbraw/zinc/15/45/71/553154571.db2.gz HWNFNJQKQSMNBY-WMLDXEAASA-N 1 0 398.320 2.668 20 0 GFADRO O=C(c1c[nH]c(=O)c(Br)c1)N1CC[NH2+]C[C@@H]1c1cccc(Cl)c1 ZINC000261630615 553154594 /nfs/dbraw/zinc/15/45/94/553154594.db2.gz CVYYUEWKFPVLKP-CQSZACIVSA-N 1 0 396.672 2.990 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CCCCN1S(=O)(=O)c1c(Cl)cccc1Br ZINC000261632911 553154717 /nfs/dbraw/zinc/15/47/17/553154717.db2.gz BLEBQTIBFSFKQX-SKDRFNHKSA-N 1 0 381.723 2.993 20 0 GFADRO COc1ccc(CN(C)C(=O)[C@@](C)([NH3+])c2ccc(Br)cc2)cc1O ZINC000261639461 553154984 /nfs/dbraw/zinc/15/49/84/553154984.db2.gz CLSRGFGTRPHZKM-SFHVURJKSA-N 1 0 393.281 2.996 20 0 GFADRO [NH3+][C@@H]1CN(C(=O)COc2ccc(F)cc2Br)C[C@H]1c1ccccc1 ZINC000261673528 553155502 /nfs/dbraw/zinc/15/55/02/553155502.db2.gz HTUQKGBRUFNVAG-GOEBONIOSA-N 1 0 393.256 2.920 20 0 GFADRO O=C(c1c(F)cccc1I)N1CCC2(CC[NH2+]C2)CC1 ZINC000261672263 553156090 /nfs/dbraw/zinc/15/60/90/553156090.db2.gz CTSKBQPRFDYFTD-UHFFFAOYSA-N 1 0 388.224 2.646 20 0 GFADRO C[C@@H](Oc1ccc(F)cc1Br)C(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000261700066 553156760 /nfs/dbraw/zinc/15/67/60/553156760.db2.gz FLJPEJOUDSKADU-UPJWGTAASA-N 1 0 385.277 2.814 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCCN(S(=O)(=O)c2c(Cl)cccc2Br)C1 ZINC000261747944 553157938 /nfs/dbraw/zinc/15/79/38/553157938.db2.gz MPCZQBDGSFIIIA-VHSXEESVSA-N 1 0 381.723 2.850 20 0 GFADRO Cc1cnn([C@H]2CCCN(C(=O)[C@@](C)([NH3+])c3ccc(Br)cc3)C2)c1 ZINC000261746882 553158095 /nfs/dbraw/zinc/15/80/95/553158095.db2.gz MIFAFHOIIJBYAA-WMZOPIPTSA-N 1 0 391.313 2.992 20 0 GFADRO COCC1(CNC(=O)CCc2ccc(OC)c(Br)c2)CC[NH2+]CC1 ZINC000261760439 553158628 /nfs/dbraw/zinc/15/86/28/553158628.db2.gz QBQZDQSELCMXHL-UHFFFAOYSA-N 1 0 399.329 2.523 20 0 GFADRO O=C(NC[C@@H]1CCCN(Cc2ccc(Br)cc2F)C1)[C@H]1CCC[NH2+]1 ZINC000261770588 553158795 /nfs/dbraw/zinc/15/87/95/553158795.db2.gz WXBLPVOOUZMRED-SUMWQHHRSA-N 1 0 398.320 2.668 20 0 GFADRO Cc1cccc(NCCNC(=O)[C@@](C)([NH3+])c2ccc(Br)cc2)n1 ZINC000261841357 553160350 /nfs/dbraw/zinc/16/03/50/553160350.db2.gz UZINVHMKVJSORD-KRWDZBQOSA-N 1 0 377.286 2.555 20 0 GFADRO C[NH2+][C@@H](C)Cc1noc(-c2nnn(-c3cccc(Br)c3)c2C)n1 ZINC000261854045 553161137 /nfs/dbraw/zinc/16/11/37/553161137.db2.gz TUUXJLOEWAUKKZ-VIFPVBQESA-N 1 0 377.246 2.539 20 0 GFADRO [NH3+]CC[C@H]1CCCCN1S(=O)(=O)c1c(Cl)cccc1Br ZINC000261867129 553161810 /nfs/dbraw/zinc/16/18/10/553161810.db2.gz YPGFJLAFPHOWQQ-SNVBAGLBSA-N 1 0 381.723 2.995 20 0 GFADRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)[C@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 ZINC000261895893 553162341 /nfs/dbraw/zinc/16/23/41/553162341.db2.gz VYANGFYTVBFDLK-BFQNTYOBSA-N 1 0 384.307 2.794 20 0 GFADRO O=C(NC[C@@H]1CCN(c2cccc(Br)c2)C1)[C@H]1CC12CC[NH2+]CC2 ZINC000261968150 553163292 /nfs/dbraw/zinc/16/32/92/553163292.db2.gz SYWFEPIMMSLHOZ-WMLDXEAASA-N 1 0 392.341 2.781 20 0 GFADRO CCOC(=O)c1cc2cc(S(=O)(=O)N[C@@H]3CCC[C@H]([NH3+])C3)ccc2s1 ZINC000261969207 553163328 /nfs/dbraw/zinc/16/33/28/553163328.db2.gz BEPNOTFZPQIPNG-QWHCGFSZSA-N 1 0 382.507 2.626 20 0 GFADRO CN(Cc1c(F)cccc1Cl)S(=O)(=O)N(CC[NH3+])Cc1ccccc1 ZINC000262009500 553164187 /nfs/dbraw/zinc/16/41/87/553164187.db2.gz HFQFUIXATJNRFO-UHFFFAOYSA-N 1 0 385.892 2.617 20 0 GFADRO O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1cc(Cl)sc1Cl ZINC000262004693 553164309 /nfs/dbraw/zinc/16/43/09/553164309.db2.gz NRIYGNTUGKOWEX-MRVPVSSYSA-N 1 0 376.231 2.621 20 0 GFADRO Cc1cc(C(=O)N2CC[C@](C)(C[NH3+])C2)nn1-c1ccc(Br)cc1 ZINC000262026177 553164722 /nfs/dbraw/zinc/16/47/22/553164722.db2.gz PAOUXKDXTKDNOQ-QGZVFWFLSA-N 1 0 377.286 2.754 20 0 GFADRO CC(=O)N[C@H](CC(=O)Nc1ncc(C2CC[NH2+]CC2)s1)c1cccs1 ZINC000262032687 553164867 /nfs/dbraw/zinc/16/48/67/553164867.db2.gz KAASMDJYBGXKOA-CYBMUJFWSA-N 1 0 378.523 2.878 20 0 GFADRO O=S(=O)(Cc1ccccc1C(F)(F)F)N1CCC([NH2+]CC2CC2)CC1 ZINC000262102994 553165728 /nfs/dbraw/zinc/16/57/28/553165728.db2.gz TUXIDFLHGMXAKV-UHFFFAOYSA-N 1 0 376.444 2.999 20 0 GFADRO C[C@@H]([NH3+])C1CCN(S(=O)(=O)c2cccc(Br)c2Cl)CC1 ZINC000262101807 553166013 /nfs/dbraw/zinc/16/60/13/553166013.db2.gz SYGHVVZHBLBXMJ-SECBINFHSA-N 1 0 381.723 2.850 20 0 GFADRO C[C@H]1CCCN(S(=O)(=O)c2cccc(Br)c2Cl)[C@@H]1C[NH3+] ZINC000262126602 553166495 /nfs/dbraw/zinc/16/64/95/553166495.db2.gz WIZZTPRUPKCOQN-GXSJLCMTSA-N 1 0 381.723 2.850 20 0 GFADRO CCC[C@@](C)([NH3+])C(=O)N1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000262165784 553166930 /nfs/dbraw/zinc/16/69/30/553166930.db2.gz VXVSCZWYXVPRFY-YVEFUNNKSA-N 1 0 397.317 2.539 20 0 GFADRO C[C@@H](Sc1ccccc1Cl)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000262183384 553167008 /nfs/dbraw/zinc/16/70/08/553167008.db2.gz ZFOUKBADJMRXRS-RISCZKNCSA-N 1 0 395.878 2.773 20 0 GFADRO C[C@@H](C[NH3+])C(=O)Nc1ccc(-c2sc(CC(N)=O)cc2Br)cc1 ZINC000262301386 553168742 /nfs/dbraw/zinc/16/87/42/553168742.db2.gz BOGQOSYVYGGXFY-VIFPVBQESA-N 1 0 396.310 2.739 20 0 GFADRO Cn1nc(C2CC[NH2+]CC2)nc1NC(=O)CCc1cc(Br)cs1 ZINC000262319838 553169096 /nfs/dbraw/zinc/16/90/96/553169096.db2.gz CNIBTAOFSCKGEM-UHFFFAOYSA-N 1 0 398.330 2.677 20 0 GFADRO O=C(NC[C@@H]1CCCN(Cc2ccc(Br)s2)C1)[C@@H]1CCC[NH2+]1 ZINC000262365614 553169779 /nfs/dbraw/zinc/16/97/79/553169779.db2.gz WWNDKZXBSXTFFY-JSGCOSHPSA-N 1 0 386.359 2.591 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CCCCN1S(=O)(=O)c1cccc(Br)c1Cl ZINC000262369691 553169918 /nfs/dbraw/zinc/16/99/18/553169918.db2.gz WOPYFGVTLGWXPB-KOLCDFICSA-N 1 0 381.723 2.993 20 0 GFADRO O=C(NC[C@H]1CCCN(Cc2ccc(Br)s2)C1)[C@@H]1CCC[NH2+]1 ZINC000262365618 553170010 /nfs/dbraw/zinc/17/00/10/553170010.db2.gz WWNDKZXBSXTFFY-OCCSQVGLSA-N 1 0 386.359 2.591 20 0 GFADRO O=C(c1csc(-c2cc(Br)cs2)n1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000262475651 553171480 /nfs/dbraw/zinc/17/14/80/553171480.db2.gz QAPDUGPJBNEPGG-DTORHVGOSA-N 1 0 384.324 2.926 20 0 GFADRO CCc1c(C(=O)NC2CC[NH2+]CC2)cnn1-c1ccc(Br)cc1 ZINC000262506061 553172119 /nfs/dbraw/zinc/17/21/19/553172119.db2.gz GUQJYQCKOBERRD-UHFFFAOYSA-N 1 0 377.286 2.679 20 0 GFADRO CC1(C)[C@@H]2OCCC[C@H]2[C@]1([NH3+])C(=O)NCCc1ccc(Br)s1 ZINC000262551203 553172600 /nfs/dbraw/zinc/17/26/00/553172600.db2.gz SKRRMPXXIQZBQB-KFNAQCHYSA-N 1 0 387.343 2.702 20 0 GFADRO CCOc1ccc(Br)cc1CN(C(=O)C[C@H]1COCC[NH2+]1)C1CC1 ZINC000262575765 553172602 /nfs/dbraw/zinc/17/26/02/553172602.db2.gz SYTCAGPGNGLVRM-HNNXBMFYSA-N 1 0 397.313 2.717 20 0 GFADRO CN(CC(C)(C)C[NH3+])C(=O)c1cc(F)c(F)cc1I ZINC000262588721 553173111 /nfs/dbraw/zinc/17/31/11/553173111.db2.gz YCUWSZFAWKQCTA-UHFFFAOYSA-N 1 0 382.192 2.626 20 0 GFADRO O=C(CCC[S@](=O)c1ccc(Br)cc1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262620728 553173377 /nfs/dbraw/zinc/17/33/77/553173377.db2.gz IHTXVVVGHOLTGM-USGALAMMSA-N 1 0 399.354 2.690 20 0 GFADRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000262631099 553173712 /nfs/dbraw/zinc/17/37/12/553173712.db2.gz NQLJSMIVEMKDDA-GHJWDPDVSA-N 1 0 384.307 2.980 20 0 GFADRO C[S@](=O)Cc1cc(NC(=O)c2ccn([C@H]3CCC[NH2+]C3)n2)ccc1Cl ZINC000262709401 553173990 /nfs/dbraw/zinc/17/39/90/553173990.db2.gz FACNVXGMTWCYNB-SXBQZSJRSA-N 1 0 380.901 2.592 20 0 GFADRO C[C@@H]1[NH2+]CCN(C(=O)c2cc(Cl)ccc2I)[C@H]1C ZINC000262727327 553174691 /nfs/dbraw/zinc/17/46/91/553174691.db2.gz APCDFTISRDLJOA-IUCAKERBSA-N 1 0 378.641 2.767 20 0 GFADRO C[C@H]1[NH2+]CCN(C(=O)CCc2nc(-c3cc(Br)cs3)no2)[C@H]1C ZINC000262735484 553174736 /nfs/dbraw/zinc/17/47/36/553174736.db2.gz CMKAYWBNATWTCS-ZJUUUORDSA-N 1 0 399.314 2.702 20 0 GFADRO Cc1cc(S(=O)(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)c(C)cc1Br ZINC000262759652 553175088 /nfs/dbraw/zinc/17/50/88/553175088.db2.gz RDBGIIDOAGCBEW-STQMWFEESA-N 1 0 375.332 2.814 20 0 GFADRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl ZINC000262745359 553175110 /nfs/dbraw/zinc/17/51/10/553175110.db2.gz JKFNVSBVAMIYJP-RLCCDNCMSA-N 1 0 384.307 2.712 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)c1cc(F)ccc1I ZINC000262768051 553175155 /nfs/dbraw/zinc/17/51/55/553175155.db2.gz TVVJIFRQPUKPDS-NOZJJQNGSA-N 1 0 376.213 2.772 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)c1cc(F)ccc1I ZINC000262768054 553175220 /nfs/dbraw/zinc/17/52/20/553175220.db2.gz TVVJIFRQPUKPDS-ZANVPECISA-N 1 0 376.213 2.772 20 0 GFADRO CO[C@@H](C[NH3+])CC(=O)Nc1ncc(Cc2ccc(Br)cc2)s1 ZINC000262773104 553175706 /nfs/dbraw/zinc/17/57/06/553175706.db2.gz BKLZLVHIGNKPOT-GFCCVEGCSA-N 1 0 384.299 2.799 20 0 GFADRO C[NH2+]C[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2Br)C1 ZINC000262793849 553176250 /nfs/dbraw/zinc/17/62/50/553176250.db2.gz SRRSRPBGUFBLKF-JTQLQIEISA-N 1 0 381.723 2.723 20 0 GFADRO [NH3+]Cc1cc(C(=O)NC[C@@H]2CCN(c3ccc(Br)cc3)C2)co1 ZINC000262792685 553176455 /nfs/dbraw/zinc/17/64/55/553176455.db2.gz ONDQKDRESKJPFV-LBPRGKRZSA-N 1 0 378.270 2.757 20 0 GFADRO CO[C@H](C[NH3+])CC(=O)Nc1ncc(Cc2cccc(Br)c2)s1 ZINC000262861805 553177278 /nfs/dbraw/zinc/17/72/78/553177278.db2.gz LIZXNRUOHIHTMT-LBPRGKRZSA-N 1 0 384.299 2.799 20 0 GFADRO CCOc1cc(Br)c(NC(=O)C[C@@H](C[NH3+])OC)cc1OCC ZINC000262972124 553179800 /nfs/dbraw/zinc/17/98/00/553179800.db2.gz XSEZZJJULLTAAW-JTQLQIEISA-N 1 0 375.263 2.549 20 0 GFADRO COc1cc(Br)c(CNC(=O)[C@H]2CCCC[C@]2(C)[NH3+])cc1OC ZINC000263106902 553182364 /nfs/dbraw/zinc/18/23/64/553182364.db2.gz ZYBYFGAZFAIHKK-PXAZEXFGSA-N 1 0 385.302 2.990 20 0 GFADRO C[C@]1([NH3+])CCCC[C@H]1C(=O)NCCC(=O)Nc1ccc(Br)cc1 ZINC000263256284 553184971 /nfs/dbraw/zinc/18/49/71/553184971.db2.gz QNENMWCUMLRJBH-YOEHRIQHSA-N 1 0 382.302 2.802 20 0 GFADRO COc1cc(CNC(=O)N[C@@H](C)CC[NH+](C)C)cc(Br)c1OC ZINC000263680794 553190915 /nfs/dbraw/zinc/19/09/15/553190915.db2.gz DQRWXKZXFWGHGI-NSHDSACASA-N 1 0 388.306 2.606 20 0 GFADRO CC(C)Oc1cc(Br)ccc1C(=O)NC[C@H](C)N1CC[NH+](C)CC1 ZINC000263779239 553193399 /nfs/dbraw/zinc/19/33/99/553193399.db2.gz OIZILPICQRHAOE-AWEZNQCLSA-N 1 0 398.345 2.602 20 0 GFADRO [NH3+]CCCOC1CCN(C(=O)NCc2cc(Br)cs2)CC1 ZINC000417101579 563868284 /nfs/dbraw/zinc/86/82/84/563868284.db2.gz YLNXMDKKOJGDLP-UHFFFAOYSA-N 1 0 376.320 2.550 20 0 GFADRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1ccc(I)cc1F ZINC000450106161 564217542 /nfs/dbraw/zinc/21/75/42/564217542.db2.gz NFOWJGIKFJZOBK-XPTSAGLGSA-N 1 0 388.224 2.643 20 0 GFADRO CCCC[N@H+](C)C[C@H](C)NC(=O)C(=O)Nc1cc(F)ccc1Br ZINC000564184159 564224011 /nfs/dbraw/zinc/22/40/11/564224011.db2.gz HNIHDESKTDVYAU-NSHDSACASA-N 1 0 388.281 2.763 20 0 GFADRO Cc1ncc(C[NH2+]C[C@@H](O)COc2ccc(Cl)cc2Br)o1 ZINC000566121392 564310936 /nfs/dbraw/zinc/31/09/36/564310936.db2.gz FKWVMFCTGJDQNX-LLVKDONJSA-N 1 0 375.650 2.928 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1cc(Br)c(F)cc1C ZINC000478164174 564396443 /nfs/dbraw/zinc/39/64/43/564396443.db2.gz ASLDNWUGEKTRBK-LLVKDONJSA-N 1 0 379.295 2.659 20 0 GFADRO C[NH+](C)CCN(Cc1cccs1)c1ncc(I)cn1 ZINC000545207856 564413415 /nfs/dbraw/zinc/41/34/15/564413415.db2.gz SJYYLTUGMSDBKM-UHFFFAOYSA-N 1 0 388.278 2.711 20 0 GFADRO C[C@H]([NH2+]C[C@@H]1CCCCN1CCO)c1ccccc1I ZINC000453276336 564451551 /nfs/dbraw/zinc/45/15/51/564451551.db2.gz XQULYNZKVBWJPI-KBPBESRZSA-N 1 0 388.293 2.789 20 0 GFADRO Cc1cc(Br)cc(CNC[C@@]2(O)CC[N@@H+](C)C2)c1OC(F)F ZINC000546567259 564459067 /nfs/dbraw/zinc/45/90/67/564459067.db2.gz ZNEQEXAGJRPWFL-HNNXBMFYSA-N 1 0 379.245 2.515 20 0 GFADRO Cc1ccc(F)c(Br)c1NC(=O)C(=O)NCC(C)(C)C[NH+](C)C ZINC000453642507 564461560 /nfs/dbraw/zinc/46/15/60/564461560.db2.gz JUZLVEVUFKTDJV-UHFFFAOYSA-N 1 0 388.281 2.539 20 0 GFADRO CC[NH+](CC)C[C@H](C)NS(=O)(=O)c1cc(F)c(Br)cc1F ZINC000480725241 564484980 /nfs/dbraw/zinc/48/49/80/564484980.db2.gz CYLJQGCYFPIDEB-VIFPVBQESA-N 1 0 385.274 2.736 20 0 GFADRO Cc1cc(Br)c(S(=O)(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)s1 ZINC000480851928 564491879 /nfs/dbraw/zinc/49/18/79/564491879.db2.gz GWNROMUGBFVHBO-YPMHNXCESA-N 1 0 393.372 2.924 20 0 GFADRO C[NH+](C)CC[C@@](C)(O)CNC(=O)CCCc1ccc(Br)s1 ZINC000420044977 563257015 /nfs/dbraw/zinc/25/70/15/563257015.db2.gz QIMPQWWZIFOQOL-OAHLLOKOSA-N 1 0 377.348 2.652 20 0 GFADRO Cc1cccc(S(=O)(=O)N2CC3(C[C@@H]2C)CC[NH2+]CC3)c1Br ZINC000424388423 563377709 /nfs/dbraw/zinc/37/77/09/563377709.db2.gz HATKCHBXCCYBQI-ZDUSSCGKSA-N 1 0 387.343 2.910 20 0 GFADRO CN1C(=O)CC[C@H]([NH2+]Cc2ccc(Br)cc2C(F)(F)F)C1=O ZINC000425357533 563419460 /nfs/dbraw/zinc/41/94/60/563419460.db2.gz PCQQTXVCTHRZQV-NSHDSACASA-N 1 0 379.176 2.705 20 0 GFADRO C[NH+](C)[C@@H]1[C@H]2CN(C(=O)c3cc(Br)cc(Br)c3)C[C@H]21 ZINC000384896285 563517947 /nfs/dbraw/zinc/51/79/47/563517947.db2.gz MLUCJGNZDCPPNF-ITGUQSILSA-N 1 0 388.103 2.844 20 0 GFADRO C[C@@H]1CN(C(=O)NCCc2c[nH]c3cccc(Br)c23)CC[C@H]1[NH3+] ZINC000418196902 563213236 /nfs/dbraw/zinc/21/32/36/563213236.db2.gz IMTQRKSEEOKCRI-BXUZGUMPSA-N 1 0 379.302 2.852 20 0 GFADRO O=C(N[C@H]1C[C@H](c2ccc(Br)cc2)C1)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000418204458 563213300 /nfs/dbraw/zinc/21/33/00/563213300.db2.gz PPIINLWMDCLWGW-JKQORVJESA-N 1 0 378.314 2.946 20 0 GFADRO CC(C)[C@H]([NH3+])CCN(C)C(=O)NCCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000418229643 563214005 /nfs/dbraw/zinc/21/40/05/563214005.db2.gz HRKADJDTAWDMKO-MRXNPFEDSA-N 1 0 389.949 2.519 20 0 GFADRO CO[C@H]1CCN(C(=O)NCCOc2ccc(Cl)c(Cl)c2)[C@H](C[NH3+])C1 ZINC000418239827 563214017 /nfs/dbraw/zinc/21/40/17/563214017.db2.gz QXGIITMNCIMYPW-RYUDHWBXSA-N 1 0 376.284 2.520 20 0 GFADRO CS(=O)(=O)CC1CCC([NH2+]CCOc2ncccc2C(F)(F)F)CC1 ZINC000294725273 563214709 /nfs/dbraw/zinc/21/47/09/563214709.db2.gz KIKOFTDGQDCETE-UHFFFAOYSA-N 1 0 380.432 2.672 20 0 GFADRO [NH3+]CC[C@H](NC(=O)N[C@@H]1CCc2c1ccc(F)c2Br)C(F)F ZINC000418244307 563214856 /nfs/dbraw/zinc/21/48/56/563214856.db2.gz CQNHSVZJTDGLKD-MNOVXSKESA-N 1 0 380.208 2.857 20 0 GFADRO CC[NH2+]CC1CCN(C(=O)NCc2nc3c(cccc3Br)[nH]2)CC1 ZINC000418257752 563214885 /nfs/dbraw/zinc/21/48/85/563214885.db2.gz DLOFLRWQGCOCLA-UHFFFAOYSA-N 1 0 394.317 2.857 20 0 GFADRO CCc1[nH]nc(C(=O)N2C[C@H](C[NH+](C)C)Oc3ccccc32)c1Br ZINC000369476891 563215361 /nfs/dbraw/zinc/21/53/61/563215361.db2.gz PHEJEUYKQANSSM-NSHDSACASA-N 1 0 393.285 2.704 20 0 GFADRO CC(C)CN(Cc1ccccc1Br)C(=O)NCCN1CC[NH2+]CC1 ZINC000418302122 563215813 /nfs/dbraw/zinc/21/58/13/563215813.db2.gz SLVSAMIBXPSTGW-UHFFFAOYSA-N 1 0 397.361 2.522 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[N@@H+]1CCC[C@H]1C[C@H](C)O ZINC000294772922 563216050 /nfs/dbraw/zinc/21/60/50/563216050.db2.gz JNNJQHZAKLOMDW-XEZPLFJOSA-N 1 0 399.329 2.698 20 0 GFADRO [NH3+]C[C@@H](NC(=O)N1CCO[C@@H](c2cc(F)c(Cl)cc2Cl)C1)C1CC1 ZINC000418412761 563217039 /nfs/dbraw/zinc/21/70/39/563217039.db2.gz YHBCLBCMGDULMB-HUUCEWRRSA-N 1 0 376.259 2.953 20 0 GFADRO CCCC[C@H](C[NH3+])NC(=O)NC(C)(C)COc1ncccc1Br ZINC000418463432 563217967 /nfs/dbraw/zinc/21/79/67/563217967.db2.gz LARUIEFFZPBECQ-GFCCVEGCSA-N 1 0 387.322 2.818 20 0 GFADRO C[C@H](C[NH3+])CNC(=O)N1CCN(c2ccc(C(F)(F)F)cc2Cl)CC1 ZINC000418496021 563218852 /nfs/dbraw/zinc/21/88/52/563218852.db2.gz UYXTZKODXJTSQT-LLVKDONJSA-N 1 0 378.826 2.785 20 0 GFADRO [NH3+]CCCCNC(=O)N[C@H](CO)c1ccc(Br)cc1C(F)(F)F ZINC000418516729 563219560 /nfs/dbraw/zinc/21/95/60/563219560.db2.gz YALCHQNDRAWMDQ-GFCCVEGCSA-N 1 0 398.223 2.539 20 0 GFADRO COCCN(Cc1sccc1Br)C(=O)NCC1=CC[NH2+]CC1 ZINC000418539542 563220254 /nfs/dbraw/zinc/22/02/54/563220254.db2.gz NEHPMVSOYWZPME-UHFFFAOYSA-N 1 0 388.331 2.588 20 0 GFADRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N(C)[C@@H]1CCOc2ccc(Br)cc21 ZINC000418585274 563221001 /nfs/dbraw/zinc/22/10/01/563221001.db2.gz YHORQUABSRDABO-BYCMXARLSA-N 1 0 382.302 2.912 20 0 GFADRO CCN(Cc1cccc(Br)c1)C(=O)NC[C@]1(COC)CCC[NH2+]1 ZINC000418628585 563221422 /nfs/dbraw/zinc/22/14/22/563221422.db2.gz BGAUURLFZFEEBX-KRWDZBQOSA-N 1 0 384.318 2.749 20 0 GFADRO CC(C)(COc1ncccc1Br)NC(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000418620892 563221689 /nfs/dbraw/zinc/22/16/89/563221689.db2.gz LHDCBPFEJKWEBK-CQSZACIVSA-N 1 0 399.333 2.818 20 0 GFADRO C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)c2c[nH]c(=O)c(Br)c2)C1 ZINC000369709434 563221878 /nfs/dbraw/zinc/22/18/78/563221878.db2.gz QSINBNQVQCSNMZ-HNNXBMFYSA-N 1 0 390.281 2.896 20 0 GFADRO O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)N1CCCC[C@@H]1Cc1ccccc1Br ZINC000418675655 563221915 /nfs/dbraw/zinc/22/19/15/563221915.db2.gz RTJMVTHAVJCKGC-AIANPOQGSA-N 1 0 378.314 2.774 20 0 GFADRO CC[NH+](CC)CCCN1CCC(O)(c2scnc2Br)CC1 ZINC000369703876 563221922 /nfs/dbraw/zinc/22/19/22/563221922.db2.gz NSUZYEFTBZUHNE-UHFFFAOYSA-N 1 0 376.364 2.921 20 0 GFADRO C[C@H]([NH3+])[C@H](C)NC(=O)N(CCc1ccc(Cl)cc1)C[C@H](O)C(F)(F)F ZINC000418688359 563222211 /nfs/dbraw/zinc/22/22/11/563222211.db2.gz AXGYJGRJYSZJFG-MJVIPROJSA-N 1 0 381.826 2.553 20 0 GFADRO COc1cccc(C[NH2+]C2CCC(CS(C)(=O)=O)CC2)c1OC(F)F ZINC000294928614 563222439 /nfs/dbraw/zinc/22/24/39/563222439.db2.gz XIFZFQUOVSUCCK-UHFFFAOYSA-N 1 0 377.453 2.990 20 0 GFADRO C[C@@H](CCCC[NH3+])NC(=O)NC[C@@H](O)COc1cccc(Cl)c1Cl ZINC000418693609 563222856 /nfs/dbraw/zinc/22/28/56/563222856.db2.gz KBBWAKDSWWJGJI-NWDGAFQWSA-N 1 0 378.300 2.550 20 0 GFADRO [NH3+][C@H]1CCC[C@H](CNC(=O)N2CCN(c3cccc(Br)c3)CC2)C1 ZINC000418717409 563223668 /nfs/dbraw/zinc/22/36/68/563223668.db2.gz JLJHMQMYWIZOHS-HOCLYGCPSA-N 1 0 395.345 2.798 20 0 GFADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[N@H+](C)C[C@H]1CCCOC1 ZINC000294964983 563223703 /nfs/dbraw/zinc/22/37/03/563223703.db2.gz WJTRFQVMPANNKQ-ZIAGYGMSSA-N 1 0 399.329 2.821 20 0 GFADRO CCN(Cc1cccc(Br)c1)C(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000418754066 563224232 /nfs/dbraw/zinc/22/42/32/563224232.db2.gz WDMKWVIPRDSVSW-CYBMUJFWSA-N 1 0 376.245 2.978 20 0 GFADRO O=C(COc1ccc(Br)cc1F)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000369773715 563224304 /nfs/dbraw/zinc/22/43/04/563224304.db2.gz QJAHNAXLBPKINJ-IUODEOHRSA-N 1 0 385.277 2.958 20 0 GFADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[N@H+](C)CC1(O)CCCC1 ZINC000294987281 563224422 /nfs/dbraw/zinc/22/44/22/563224422.db2.gz XWAVRVKXGYLGCO-CYBMUJFWSA-N 1 0 399.329 2.699 20 0 GFADRO CC(C)[C@](C)(NC(=O)NC[C@@H]1C[NH2+]CCO1)c1ccc(Br)cc1 ZINC000418755161 563224468 /nfs/dbraw/zinc/22/44/68/563224468.db2.gz BQLFUTZIPZWRBX-RDJZCZTQSA-N 1 0 384.318 2.608 20 0 GFADRO CCC([NH3+])(CC)CNC(=O)C(=O)N[C@@H](C)c1cc(F)c(Cl)cc1Cl ZINC000418827203 563226421 /nfs/dbraw/zinc/22/64/21/563226421.db2.gz BXXXLWTWDNXLFB-VIFPVBQESA-N 1 0 378.275 2.943 20 0 GFADRO Cn1ncc(Br)c1C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000295051223 563226728 /nfs/dbraw/zinc/22/67/28/563226728.db2.gz PLYRSVUILMPFHE-UHFFFAOYSA-N 1 0 391.313 2.620 20 0 GFADRO O=C1N[C@H](CC(F)(F)F)C(=O)N1C[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000277817029 563227549 /nfs/dbraw/zinc/22/75/49/563227549.db2.gz MKGIKANOBFRTGZ-DGCLKSJQSA-N 1 0 375.416 2.833 20 0 GFADRO C[NH2+]C1CCN(C(=O)C(=O)N[C@@H](C)c2cc(F)c(Cl)cc2Cl)CC1 ZINC000418859823 563228452 /nfs/dbraw/zinc/22/84/52/563228452.db2.gz LBKWCZHCUFSXEO-VIFPVBQESA-N 1 0 376.259 2.520 20 0 GFADRO C[C@@H](NC(=O)C(=O)NCC[C@@H]1CCC[NH2+]C1)c1cc(F)c(Cl)cc1Cl ZINC000418864494 563228776 /nfs/dbraw/zinc/22/87/76/563228776.db2.gz QUQUGHNDVZZGAT-MNOVXSKESA-N 1 0 390.286 2.816 20 0 GFADRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C(=O)N[C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000418891108 563229181 /nfs/dbraw/zinc/22/91/81/563229181.db2.gz LFXNMZCCIRPVNE-SDPXSBNPSA-N 1 0 384.307 2.612 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CNC(=O)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC000370005539 563230737 /nfs/dbraw/zinc/23/07/37/563230737.db2.gz AEJOOMFVYSQYLN-HIFRSBDPSA-N 1 0 394.313 2.687 20 0 GFADRO O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)c1cn2cc(Cl)cc(Cl)c2n1 ZINC000370004791 563231262 /nfs/dbraw/zinc/23/12/62/563231262.db2.gz FAEHIMVMGAODEK-CYBMUJFWSA-N 1 0 383.279 2.624 20 0 GFADRO NS(=O)(=O)c1ccc(NCC2CC[NH+](C3CC3)CC2)c(C(F)(F)F)c1 ZINC000277928542 563233038 /nfs/dbraw/zinc/23/30/38/563233038.db2.gz QOFJDGHXSCYPFM-UHFFFAOYSA-N 1 0 377.432 2.639 20 0 GFADRO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)C(=O)N[C@@H]1CCc2c1ccc(Cl)c2Cl ZINC000419108250 563233921 /nfs/dbraw/zinc/23/39/21/563233921.db2.gz XJFXFSUHTIDTFZ-COLVAYQJSA-N 1 0 384.307 2.731 20 0 GFADRO COc1cc(Br)c(C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@H]2C)cc1OC ZINC000295183186 563233922 /nfs/dbraw/zinc/23/39/22/563233922.db2.gz TXMUDZBMBUOLRD-YGRLFVJLSA-N 1 0 383.286 2.679 20 0 GFADRO CN1CCC([N@@H+]2CC[C@H](NC(=O)CCc3ccc(Br)cc3)C2)CC1 ZINC000370114308 563234129 /nfs/dbraw/zinc/23/41/29/563234129.db2.gz URRSQRGUVKLGNQ-KRWDZBQOSA-N 1 0 394.357 2.666 20 0 GFADRO [NH3+]CCCCNC(=O)C(=O)NCC1(c2ccc(Cl)cc2Cl)CCCC1 ZINC000419134068 563234377 /nfs/dbraw/zinc/23/43/77/563234377.db2.gz GSRBMBMKIUBJMH-UHFFFAOYSA-N 1 0 386.323 2.777 20 0 GFADRO C[C@H](NC(=O)C(=O)NC[C@@H]1[NH2+]CCCC1(C)C)c1ccc(Br)cc1 ZINC000419131382 563234726 /nfs/dbraw/zinc/23/47/26/563234726.db2.gz CQLZQDPOWBNUEW-WFASDCNBSA-N 1 0 396.329 2.521 20 0 GFADRO C[NH2+]CCCN(C)C(=O)C(=O)N[C@@H](c1ccsc1)c1ccc(Cl)cc1 ZINC000419128930 563234886 /nfs/dbraw/zinc/23/48/86/563234886.db2.gz XKHFDBUKNVGDJP-MRXNPFEDSA-N 1 0 379.913 2.675 20 0 GFADRO C[C@@H]([NH3+])C1CCN(C(=O)C(=O)N[C@H]2CCSc3ccc(Cl)cc32)CC1 ZINC000419241801 563235696 /nfs/dbraw/zinc/23/56/96/563235696.db2.gz SARYHYOFUSETPS-ABAIWWIYSA-N 1 0 381.929 2.579 20 0 GFADRO COCCC[N@@H+]1CCCN(C[C@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000370168602 563235796 /nfs/dbraw/zinc/23/57/96/563235796.db2.gz GCOMMWZUKCDQME-INIZCTEOSA-N 1 0 391.339 2.777 20 0 GFADRO COCC[C@@]1(C(=O)Nc2nnc(SCc3ccccc3)s2)CC[NH2+]C1 ZINC000370194560 563236413 /nfs/dbraw/zinc/23/64/13/563236413.db2.gz PGZQSEXCASNCEB-KRWDZBQOSA-N 1 0 378.523 2.785 20 0 GFADRO NC(=O)[C@@H]([NH2+][C@H]1CCN(c2ccc(F)cc2)C1)c1ccc(Br)cc1 ZINC000419332384 563237299 /nfs/dbraw/zinc/23/72/99/563237299.db2.gz HPNOJOVJORNWCL-RDJZCZTQSA-N 1 0 392.272 2.983 20 0 GFADRO CN(C(=O)C(=O)NCC(C)(C)c1ccc(Cl)c(Cl)c1)C1CC[NH2+]CC1 ZINC000419356230 563238646 /nfs/dbraw/zinc/23/86/46/563238646.db2.gz HDWDKSUMTOHHKK-UHFFFAOYSA-N 1 0 386.323 2.598 20 0 GFADRO COCCO[C@H]1C[C@H](CO)C[N@H+](CCOc2cc(Cl)cc(Cl)c2)C1 ZINC000278063203 563238804 /nfs/dbraw/zinc/23/88/04/563238804.db2.gz FQAAZNUTYIDOKS-GUYCJALGSA-N 1 0 378.296 2.718 20 0 GFADRO O=C(Cc1cc[nH]c(=O)c1Br)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000278112158 563240994 /nfs/dbraw/zinc/24/09/94/563240994.db2.gz LAUMQBYRSOLYJX-AWEZNQCLSA-N 1 0 382.302 2.569 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]C[C@H]1CCO[C@@H](C)C1 ZINC000295399997 563245515 /nfs/dbraw/zinc/24/55/15/563245515.db2.gz MBKNDWKOTNPHFR-IHRRRGAJSA-N 1 0 399.329 2.867 20 0 GFADRO CO[C@@H](c1ccccc1F)[C@H](C)[NH2+]Cc1ccc(S(N)(=O)=O)c(Cl)c1 ZINC000419688310 563245572 /nfs/dbraw/zinc/24/55/72/563245572.db2.gz GKBIGKGIHCVGDT-APPDUMDISA-N 1 0 386.876 2.992 20 0 GFADRO CC(C)(CNC(=O)C(=O)N[C@@H]1CC[C@H](C[NH3+])C1)c1c(Cl)cccc1Cl ZINC000419694734 563246075 /nfs/dbraw/zinc/24/60/75/563246075.db2.gz LEXSWOJISDFQCW-NWDGAFQWSA-N 1 0 386.323 2.631 20 0 GFADRO CC(C)(CNC(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])C1)c1c(Cl)cccc1Cl ZINC000419694735 563246343 /nfs/dbraw/zinc/24/63/43/563246343.db2.gz LEXSWOJISDFQCW-RYUDHWBXSA-N 1 0 386.323 2.631 20 0 GFADRO C[C@@]1(C[NH2+]Cc2ccc(S(N)(=O)=O)c(Cl)c2)OCCc2sccc21 ZINC000419753344 563249534 /nfs/dbraw/zinc/24/95/34/563249534.db2.gz YIVKSZWROARVCJ-INIZCTEOSA-N 1 0 386.926 2.627 20 0 GFADRO CC[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)N1CCC[C@@H]1C[NH2+]C ZINC000419751868 563249811 /nfs/dbraw/zinc/24/98/11/563249811.db2.gz LEZBPUDHOOGBKO-LSDHHAIUSA-N 1 0 386.323 2.641 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)[C@@H](c2ccc(Cl)cc2Cl)N2CCOCC2)CC[NH2+]1 ZINC000278349352 563250999 /nfs/dbraw/zinc/25/09/99/563250999.db2.gz YWXKGWGYMLMGAY-SUYBPPKGSA-N 1 0 386.323 2.623 20 0 GFADRO CCC[C@@H](O)[C@H](CO)[NH2+]Cc1ccc(OC(F)(F)F)c(Br)c1 ZINC000419834544 563251756 /nfs/dbraw/zinc/25/17/56/563251756.db2.gz XFLIKDLLMKRXMF-NWDGAFQWSA-N 1 0 386.208 2.959 20 0 GFADRO CCC[C@H](O)[C@H](CO)[NH2+]Cc1ccc(Br)c(Br)c1 ZINC000419813658 563251944 /nfs/dbraw/zinc/25/19/44/563251944.db2.gz ITMFSSUYBFSRHF-STQMWFEESA-N 1 0 381.108 2.823 20 0 GFADRO C[C@@H]1c2cc(Cl)cc(Cl)c2CCN1C(=O)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000419920695 563253210 /nfs/dbraw/zinc/25/32/10/563253210.db2.gz XABQJVMIUGCDON-VXGBXAGGSA-N 1 0 384.307 2.555 20 0 GFADRO C[C@H]1c2cc(Cl)c(Cl)cc2CCN1C(=O)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000419948703 563253794 /nfs/dbraw/zinc/25/37/94/563253794.db2.gz KMUKGHBOQRLJCW-WCQYABFASA-N 1 0 384.307 2.697 20 0 GFADRO O=C(N[C@@H]1CCC[N@@H+](CCCO)C1)C1(c2cc(F)cc(Br)c2)CC1 ZINC000295605828 563255648 /nfs/dbraw/zinc/25/56/48/563255648.db2.gz XNCYZNCMMMOXCN-MRXNPFEDSA-N 1 0 399.304 2.583 20 0 GFADRO O=C(c1csc(I)c1)N(C1CC1)C1CC[NH2+]CC1 ZINC000370792829 563255701 /nfs/dbraw/zinc/25/57/01/563255701.db2.gz FAZKYIICKWTQCG-UHFFFAOYSA-N 1 0 376.263 2.709 20 0 GFADRO COc1ccc(Br)c(C[NH2+][C@@H]2CCCN(Cc3noc(C)n3)C2)c1 ZINC000370815283 563256624 /nfs/dbraw/zinc/25/66/24/563256624.db2.gz WFSOKMOCYBXADE-CQSZACIVSA-N 1 0 395.301 2.903 20 0 GFADRO CN(C(=O)c1cccc(Br)c1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000370829134 563257214 /nfs/dbraw/zinc/25/72/14/563257214.db2.gz DTCLPQAFJUICCR-QGZVFWFLSA-N 1 0 380.330 2.690 20 0 GFADRO C[C@@H]1C[N@H+](CCCNC(=O)c2cc(F)c(F)cc2Br)CCCO1 ZINC000278472267 563257753 /nfs/dbraw/zinc/25/77/53/563257753.db2.gz JWTOIMTUIPAFPZ-LLVKDONJSA-N 1 0 391.256 2.958 20 0 GFADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)Cc1ccc(Br)s1 ZINC000278511306 563259377 /nfs/dbraw/zinc/25/93/77/563259377.db2.gz OYBNXZWGSVWGLA-GFCCVEGCSA-N 1 0 387.343 2.765 20 0 GFADRO Cc1cc(Br)oc1C(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1 ZINC000370911112 563259970 /nfs/dbraw/zinc/25/99/70/563259970.db2.gz LBTWEMCTLKUXRR-IUODEOHRSA-N 1 0 395.301 2.897 20 0 GFADRO CC(C)(CCS(C)(=O)=O)[NH2+]Cc1ccc(I)cc1 ZINC000295725359 563260163 /nfs/dbraw/zinc/26/01/63/563260163.db2.gz NVGOOUJUSYNIEM-UHFFFAOYSA-N 1 0 381.279 2.594 20 0 GFADRO Cn1ncc(Br)c1C[NH2+][C@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000278615092 563263307 /nfs/dbraw/zinc/26/33/07/563263307.db2.gz DGCIPFWJPWALQE-GOEBONIOSA-N 1 0 385.256 2.996 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+]C[C@@]1(O)CCO[C@@H]1C ZINC000278624343 563263481 /nfs/dbraw/zinc/26/34/81/563263481.db2.gz KBSJAHGBVGCJIT-DYVFJYSZSA-N 1 0 380.286 2.573 20 0 GFADRO [NH3+]CC[C@@H](NS(=O)(=O)c1cc(Cl)ccc1OCCC1CC1)C(F)F ZINC000420451627 563263585 /nfs/dbraw/zinc/26/35/85/563263585.db2.gz BSOAIGSTHRTRNU-GFCCVEGCSA-N 1 0 382.860 2.780 20 0 GFADRO C[C@@H]1C[N@H+](CCCNC(=O)CCc2ccccc2Br)CCCO1 ZINC000278620520 563263556 /nfs/dbraw/zinc/26/35/56/563263556.db2.gz RMTFBRPSLVFFAC-OAHLLOKOSA-N 1 0 383.330 2.999 20 0 GFADRO CC1(C)C[NH2+]CC[C@@H]1NS(=O)(=O)c1cccc(Br)c1Cl ZINC000420454318 563263777 /nfs/dbraw/zinc/26/37/77/563263777.db2.gz FBLNRFWJDRFYHP-NSHDSACASA-N 1 0 381.723 2.769 20 0 GFADRO Cc1cc(S(=O)(=O)N2CCCC[C@@H]2[C@H]2CC[NH2+]C2)ccc1Br ZINC000420466395 563264507 /nfs/dbraw/zinc/26/45/07/563264507.db2.gz RHBWMFXSPVLHKH-XJKSGUPXSA-N 1 0 387.343 2.910 20 0 GFADRO C[C@H]1CCN(S(=O)(=O)c2cccc(Cl)c2Br)C[C@@H]1C[NH3+] ZINC000420480895 563265964 /nfs/dbraw/zinc/26/59/64/563265964.db2.gz QAETZZXRQYCYHA-UWVGGRQHSA-N 1 0 381.723 2.708 20 0 GFADRO [NH3+][C@@H]1CN(S(=O)(=O)c2cccc(Br)c2)C[C@H]1c1ccccc1F ZINC000420474799 563265969 /nfs/dbraw/zinc/26/59/69/563265969.db2.gz YWJBBOUVDBRVPN-GOEBONIOSA-N 1 0 399.285 2.704 20 0 GFADRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)c1c(Br)cnn1C ZINC000295871392 563266308 /nfs/dbraw/zinc/26/63/08/563266308.db2.gz PBHJSRHZORBSMT-CQSZACIVSA-N 1 0 391.313 2.919 20 0 GFADRO CC[NH+]1CCN(CCNC(=O)c2cc(Cl)cc(Br)c2F)CC1 ZINC000278701912 563267445 /nfs/dbraw/zinc/26/74/45/563267445.db2.gz VXVIHQHFGUFJAT-UHFFFAOYSA-N 1 0 392.700 2.609 20 0 GFADRO COc1ccc(CN2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)cc1Br ZINC000371305738 563271568 /nfs/dbraw/zinc/27/15/68/563271568.db2.gz ZXQCVZORFYEGPP-QAPCUYQASA-N 1 0 396.373 2.916 20 0 GFADRO CC(C)n1cc(CN2CCCN(C(=O)CSCC(F)(F)F)CC2)cn1 ZINC000371291934 563271735 /nfs/dbraw/zinc/27/17/35/563271735.db2.gz MZFHOAMDZGGCQB-UHFFFAOYSA-N 1 0 378.464 2.794 20 0 GFADRO Cc1c(Br)ccc(C(=O)N2CCC([N@H+](C)CCCO)CC2)c1F ZINC000278935508 563276839 /nfs/dbraw/zinc/27/68/39/563276839.db2.gz AHAAQYBXWNFRNX-UHFFFAOYSA-N 1 0 387.293 2.815 20 0 GFADRO CC[N@@H+]1CC[C@H](CNC(=O)C2CCN(C(=O)c3ccc(Cl)s3)CC2)C1 ZINC000371451107 563277542 /nfs/dbraw/zinc/27/75/42/563277542.db2.gz AETADEASUGKGMV-CYBMUJFWSA-N 1 0 383.945 2.712 20 0 GFADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)Cc1cccc(Cl)c1Cl ZINC000278970235 563278476 /nfs/dbraw/zinc/27/84/76/563278476.db2.gz FPJACWNCAFYAKW-OAHLLOKOSA-N 1 0 386.323 2.595 20 0 GFADRO COCC[NH+]1CCC(NC(=O)Nc2cc(F)cc(Br)c2F)CC1 ZINC000278998509 563279812 /nfs/dbraw/zinc/27/98/12/563279812.db2.gz SVXGOZYTJFWGAK-UHFFFAOYSA-N 1 0 392.244 2.960 20 0 GFADRO CCc1n[nH]c(C(=O)NC2CC[NH+](Cc3ccncc3)CC2)c1Br ZINC000279020658 563280139 /nfs/dbraw/zinc/28/01/39/563280139.db2.gz OBKLJPJARMBACJ-UHFFFAOYSA-N 1 0 392.301 2.524 20 0 GFADRO CCc1n[nH]c(C(=O)NC[C@H](c2cccc(OC)c2)[NH+](C)C)c1Br ZINC000279029316 563281331 /nfs/dbraw/zinc/28/13/31/563281331.db2.gz VXNGPNJFDSFMQC-CQSZACIVSA-N 1 0 395.301 2.776 20 0 GFADRO Cc1cc(Br)ccc1S(=O)(=O)NC1CCC([NH+](C)C)CC1 ZINC000420748881 563282980 /nfs/dbraw/zinc/28/29/80/563282980.db2.gz RFAXSQPJRZJCEK-UHFFFAOYSA-N 1 0 375.332 2.909 20 0 GFADRO C[NH+](C)CCCCNC(=O)CCOc1ccccc1I ZINC000279118722 563284383 /nfs/dbraw/zinc/28/43/83/563284383.db2.gz WVTDAUGQMPAYII-UHFFFAOYSA-N 1 0 390.265 2.518 20 0 GFADRO CCOc1ccc(S(=O)(=O)N(C)C[C@H]2CCC[N@@H+]2C)cc1Br ZINC000420773762 563285551 /nfs/dbraw/zinc/28/55/51/563285551.db2.gz XSWGQMLLGZHZBP-GFCCVEGCSA-N 1 0 391.331 2.563 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S(=O)(=O)CC[NH2+]C1(CC)CCCC1 ZINC000296397879 563285750 /nfs/dbraw/zinc/28/57/50/563285750.db2.gz SYLKHFUMWSYXOJ-UHFFFAOYSA-N 1 0 387.567 2.956 20 0 GFADRO O=S1(=O)CC[C@](O)(C[NH2+][C@@H]2CCCc3cc(SC(F)F)ccc32)C1 ZINC000296409899 563286331 /nfs/dbraw/zinc/28/63/31/563286331.db2.gz KVAADARWRFBUTE-ZBFHGGJFSA-N 1 0 377.478 2.518 20 0 GFADRO O=S(=O)(CCO)c1ccc(C[NH2+][C@H]2CCCc3nc(Cl)ccc32)cc1 ZINC000296415976 563286676 /nfs/dbraw/zinc/28/66/76/563286676.db2.gz LETLETCTXJNAPO-INIZCTEOSA-N 1 0 380.897 2.668 20 0 GFADRO Cc1nn(C)c(CNCc2ccc(OCC[NH+](C)C)cc2)c1Br ZINC000279232577 563288582 /nfs/dbraw/zinc/28/85/82/563288582.db2.gz YVHXTLOQLYSRQH-UHFFFAOYSA-N 1 0 381.318 2.721 20 0 GFADRO O=C(c1cc(Cl)cc(Cl)c1)N1CC[NH+](C[C@H]2CCNC(=O)CC2)CC1 ZINC000296519013 563290471 /nfs/dbraw/zinc/29/04/71/563290471.db2.gz MOMKHTGJAKFEJR-CYBMUJFWSA-N 1 0 384.307 2.668 20 0 GFADRO C[C@@H]1C[C@@H](CO)C[N@H+](C[C@@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000420947077 563291329 /nfs/dbraw/zinc/29/13/29/563291329.db2.gz SUVIZGJCGYRXCF-YRGRVCCFSA-N 1 0 392.721 2.793 20 0 GFADRO CC(=O)N[C@@H]1CC[N@H+](CCCC(=O)Nc2c(C)cc(Br)cc2C)C1 ZINC000420953806 563292144 /nfs/dbraw/zinc/29/21/44/563292144.db2.gz JMUAJSGKSQPSIU-MRXNPFEDSA-N 1 0 396.329 2.995 20 0 GFADRO CC(C)C[C@H]([NH2+]C[C@]1(O)CCS(=O)(=O)C1)c1cccc(C(F)(F)F)c1 ZINC000296565974 563292983 /nfs/dbraw/zinc/29/29/83/563292983.db2.gz SONOTHQMEBMMPI-JKSUJKDBSA-N 1 0 379.444 2.932 20 0 GFADRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)Nc1nnc2ccc(Br)cn21 ZINC000296736130 563298921 /nfs/dbraw/zinc/29/89/21/563298921.db2.gz HAJHPBUPGAKCIL-AAEUAGOBSA-N 1 0 393.289 2.582 20 0 GFADRO CCS(=O)(=O)c1c(Cl)cccc1CN1CCC[N@H+](CCCOC)CC1 ZINC000372280958 563301210 /nfs/dbraw/zinc/30/12/10/563301210.db2.gz GUFUPUULWHBCOU-UHFFFAOYSA-N 1 0 388.961 2.678 20 0 GFADRO C[C@H]1CN(C(=O)c2c(F)cccc2Br)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000372355090 563303175 /nfs/dbraw/zinc/30/31/75/563303175.db2.gz GUTDQDVTFJHWJN-XJKSGUPXSA-N 1 0 398.320 2.686 20 0 GFADRO Brc1ccc(C[NH2+][C@@H]2C[C@H]3OCCC[C@H]23)c(N2CCOCC2)c1 ZINC000372417621 563305564 /nfs/dbraw/zinc/30/55/64/563305564.db2.gz PNCPWUFZAIRWFI-JFIYKMOQSA-N 1 0 381.314 2.943 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)C[C@@H]1CCC[NH2+]CC1 ZINC000372415164 563305698 /nfs/dbraw/zinc/30/56/98/563305698.db2.gz FQZNHZKGTPYKNO-CYBMUJFWSA-N 1 0 382.302 2.592 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH2+]CC1(CC(N)=O)CC1 ZINC000421348162 563307823 /nfs/dbraw/zinc/30/78/23/563307823.db2.gz FKMYXJGJDAONLV-UHFFFAOYSA-N 1 0 391.313 2.997 20 0 GFADRO CCOc1c(Br)cc(C[NH2+]CC2(S(C)(=O)=O)CC2)cc1OC ZINC000279734815 563308182 /nfs/dbraw/zinc/30/81/82/563308182.db2.gz WMXYBRSSCSSGGB-UHFFFAOYSA-N 1 0 392.315 2.523 20 0 GFADRO NC(=O)[C@H]1CC[C@H](C[NH2+]Cc2cc(Br)c3c(c2)OCCCO3)CC1 ZINC000421364149 563308622 /nfs/dbraw/zinc/30/86/22/563308622.db2.gz RJDPQEIIYYBUFV-MQMHXKEQSA-N 1 0 397.313 2.992 20 0 GFADRO CCCN1C[C@H](C[NH2+]Cc2c(Br)cc(OC)cc2OC)CC1=O ZINC000421352869 563308659 /nfs/dbraw/zinc/30/86/59/563308659.db2.gz OODMLKJTRINJSQ-LBPRGKRZSA-N 1 0 385.302 2.814 20 0 GFADRO CC(=O)N[C@@H]1CC[N@H+](Cc2c(C)nn(-c3ccc(Br)cc3)c2C)C1 ZINC000421397827 563309771 /nfs/dbraw/zinc/30/97/71/563309771.db2.gz XWOQWAMIOJOGSA-MRXNPFEDSA-N 1 0 391.313 2.962 20 0 GFADRO COc1ccc(Br)c([C@@H](CO)N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000296974489 563310735 /nfs/dbraw/zinc/31/07/35/563310735.db2.gz QCHLCORTQPLJGI-GDZNZVCISA-N 1 0 399.329 2.680 20 0 GFADRO CN1CCC[C@]2(CC[N@H+](C[C@@H](O)COc3ccc(Cl)cc3Cl)C2)C1=O ZINC000372558970 563310979 /nfs/dbraw/zinc/31/09/79/563310979.db2.gz XAOMNCYARNZLIC-RDTXWAMCSA-N 1 0 387.307 2.677 20 0 GFADRO Cc1nc2ccc(Br)cn2c1C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000279813334 563311733 /nfs/dbraw/zinc/31/17/33/563311733.db2.gz HWXCAVVRGNKINU-DZGCQCFKSA-N 1 0 391.313 2.962 20 0 GFADRO C[C@@H](CS(=O)(=O)c1ccccc1)[NH2+]C1CCN(Cc2cscn2)CC1 ZINC000372586034 563312019 /nfs/dbraw/zinc/31/20/19/563312019.db2.gz SINKLTKQIJRJHH-HNNXBMFYSA-N 1 0 379.551 2.560 20 0 GFADRO COc1cc(Br)c(C[N@@H+]2CC[C@]3(C2)CCCN(C)C3=O)c(OC)c1 ZINC000372638560 563313342 /nfs/dbraw/zinc/31/33/42/563313342.db2.gz JUEGZQCYDZTPGP-SFHVURJKSA-N 1 0 397.313 2.911 20 0 GFADRO C[C@H]([NH2+][C@H]1CCN(CCN2CCOCC2)C1)c1ccc(Br)s1 ZINC000372787266 563317533 /nfs/dbraw/zinc/31/75/33/563317533.db2.gz XGBHJTXHAKCAJC-KBPBESRZSA-N 1 0 388.375 2.568 20 0 GFADRO Ic1ccc(NCC2([NH+]3CCCC3)CCOCC2)nc1 ZINC000297140691 563317632 /nfs/dbraw/zinc/31/76/32/563317632.db2.gz NNCXAWZUWDBAEK-UHFFFAOYSA-N 1 0 387.265 2.743 20 0 GFADRO C[N@@H+]1CCCC12CCN(C(=O)Cc1ccc(I)cc1)CC2 ZINC000372847673 563319737 /nfs/dbraw/zinc/31/97/37/563319737.db2.gz ODXGHXJVLUURJP-UHFFFAOYSA-N 1 0 398.288 2.921 20 0 GFADRO CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)N1CCc2ccc(Br)cc21 ZINC000372897357 563322278 /nfs/dbraw/zinc/32/22/78/563322278.db2.gz LTGLUBZBIAHPSM-JOQOYGCGSA-N 1 0 379.298 2.871 20 0 GFADRO Cc1nc(C(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)nn1-c1c(Cl)cccc1Cl ZINC000372922690 563322748 /nfs/dbraw/zinc/32/27/48/563322748.db2.gz SVRRHXJKGQUNCC-BXUZGUMPSA-N 1 0 380.279 2.707 20 0 GFADRO COC1([C@@H](C)[NH2+]CCNS(=O)(=O)c2ccc(F)cc2Cl)CCCC1 ZINC000421863976 563323135 /nfs/dbraw/zinc/32/31/35/563323135.db2.gz ZCXGFSNBOJPKPN-GFCCVEGCSA-N 1 0 378.897 2.695 20 0 GFADRO O=C(CCCc1ccc(Br)s1)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000372945116 563323642 /nfs/dbraw/zinc/32/36/42/563323642.db2.gz GSFYBDYWVTZAEN-OLZOCXBDSA-N 1 0 387.343 2.813 20 0 GFADRO Cc1nc2ccc(Br)cn2c1C(=O)N1CC[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000372986328 563324867 /nfs/dbraw/zinc/32/48/67/563324867.db2.gz ZNGCJUHSRKWGGX-GXTWGEPZSA-N 1 0 377.286 2.571 20 0 GFADRO CC[NH+](CC)CCSCC(=O)NCCCCn1cc(Br)cn1 ZINC000280199873 563326729 /nfs/dbraw/zinc/32/67/29/563326729.db2.gz WIJCDJQWSXSJNB-UHFFFAOYSA-N 1 0 391.379 2.617 20 0 GFADRO CC[NH+]1CCC(N2CCCN(C(=O)c3ccoc3Br)CC2)CC1 ZINC000422015111 563328619 /nfs/dbraw/zinc/32/86/19/563328619.db2.gz GQUQIYSUIKUUJD-UHFFFAOYSA-N 1 0 384.318 2.674 20 0 GFADRO COCC[NH+]1CCC(NC(=O)N2CCc3c2cccc3Br)CC1 ZINC000422152138 563331723 /nfs/dbraw/zinc/33/17/23/563331723.db2.gz FDZYPCYCNHGCRP-UHFFFAOYSA-N 1 0 382.302 2.632 20 0 GFADRO C[NH+]1CCC(n2ccc(NC(=O)c3ccc(F)cc3Br)n2)CC1 ZINC000373230538 563332540 /nfs/dbraw/zinc/33/25/40/563332540.db2.gz NLWIYNOMYRCRPZ-UHFFFAOYSA-N 1 0 381.249 3.304 20 0 GFADRO Cc1c(Br)cccc1C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000373289526 563334078 /nfs/dbraw/zinc/33/40/78/563334078.db2.gz DHTCIOXZPNUPLA-UHFFFAOYSA-N 1 0 377.286 3.473 20 0 GFADRO Cc1cc(Br)ccc1CC(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000373286767 563334108 /nfs/dbraw/zinc/33/41/08/563334108.db2.gz SFMDEIZWJIXNBP-UHFFFAOYSA-N 1 0 391.313 3.402 20 0 GFADRO C[NH+](C)C1CCC(NC(=O)N(CCO)Cc2cccc(Br)c2)CC1 ZINC000422247429 563334256 /nfs/dbraw/zinc/33/42/56/563334256.db2.gz WOFWSYNDILGPHM-UHFFFAOYSA-N 1 0 398.345 2.826 20 0 GFADRO C[C@@H]1OCC[C@]12C[N@H+](CCC(=O)Nc1cccc(Br)c1)CCO2 ZINC000280375603 563334358 /nfs/dbraw/zinc/33/43/58/563334358.db2.gz JPPWITAUENFNHS-GUYCJALGSA-N 1 0 383.286 2.658 20 0 GFADRO Cc1ccc(F)c(NC(=O)C(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)c1Br ZINC000280437831 563337229 /nfs/dbraw/zinc/33/72/29/563337229.db2.gz UYRVXAHROWKIKW-WDEREUQCSA-N 1 0 398.276 2.577 20 0 GFADRO Cc1ccc(CC(=O)NC2CCN(c3nccn3C)CC2)cc1Br ZINC000373516538 563340624 /nfs/dbraw/zinc/34/06/24/563340624.db2.gz SBYQZFGOECTNQV-UHFFFAOYSA-N 1 0 391.313 2.819 20 0 GFADRO Cc1csc(C(=O)NC2CCN(c3nccn3C)CC2)c1Br ZINC000373515443 563340650 /nfs/dbraw/zinc/34/06/50/563340650.db2.gz MINWHXPWANRHPY-UHFFFAOYSA-N 1 0 383.315 2.951 20 0 GFADRO CN(Cc1c(Cl)cccc1Cl)C(=O)C(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000422488927 563340901 /nfs/dbraw/zinc/34/09/01/563340901.db2.gz OKJJULPZHCTYQF-ZDUSSCGKSA-N 1 0 386.323 2.800 20 0 GFADRO Cc1cc(Br)c(S(=O)(=O)N2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)s1 ZINC000422551923 563342620 /nfs/dbraw/zinc/34/26/20/563342620.db2.gz GBYSEUVGFBGKLY-NGZCFLSTSA-N 1 0 381.361 2.813 20 0 GFADRO C[C@@H]1C[C@@H](C)N(S(=O)(=O)c2cccc(Br)c2F)C[C@H]1C[NH3+] ZINC000422555869 563342820 /nfs/dbraw/zinc/34/28/20/563342820.db2.gz REWFFDSUGVVYLY-GMTAPVOTSA-N 1 0 379.295 2.582 20 0 GFADRO C[C@@H]1C[C@@H](C)N(S(=O)(=O)c2cc(F)ccc2Br)C[C@H]1C[NH3+] ZINC000422556354 563343291 /nfs/dbraw/zinc/34/32/91/563343291.db2.gz SSXZRQMMZPMTFR-GMTAPVOTSA-N 1 0 379.295 2.582 20 0 GFADRO [NH3+]C[C@H]1Cc2ccccc2N1C(=O)c1cc(Br)c2c(c1)OCCO2 ZINC000422625936 563345502 /nfs/dbraw/zinc/34/55/02/563345502.db2.gz IHMOQWHBVGPULL-CYBMUJFWSA-N 1 0 389.249 2.751 20 0 GFADRO CN(C[C@H](O)c1cccc(Br)c1)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000298177584 563346940 /nfs/dbraw/zinc/34/69/40/563346940.db2.gz GGYYTZOWZDXNCA-ULQDDVLXSA-N 1 0 396.329 2.751 20 0 GFADRO C[C@@H](C[C@@H]1COCCN1)[NH2+]C1CCN(Cc2ccc(Br)cc2)CC1 ZINC000422889291 563349802 /nfs/dbraw/zinc/34/98/02/563349802.db2.gz FPGHFFXYKAFSRZ-HNAYVOBHSA-N 1 0 396.373 2.770 20 0 GFADRO O=C(Nc1ccccc1Br)C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000373769533 563350446 /nfs/dbraw/zinc/35/04/46/563350446.db2.gz VLHNHURMVFMSGK-UHFFFAOYSA-N 1 0 380.286 2.521 20 0 GFADRO CC1=C(Br)CN(C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)CC1 ZINC000373791199 563350951 /nfs/dbraw/zinc/35/09/51/563350951.db2.gz QXXKJEDOVGEZGN-CQSZACIVSA-N 1 0 386.334 2.572 20 0 GFADRO CCOC(=O)[C@@H]1NCC[C@@H]1[NH2+]CCc1cc(Cl)ccc1Br ZINC000423002143 563352355 /nfs/dbraw/zinc/35/23/55/563352355.db2.gz YKGRXWVQVOKAEL-UONOGXRCSA-N 1 0 375.694 2.528 20 0 GFADRO C[C@@H]1CN(C(=O)C(=O)N(Cc2cccs2)Cc2cccs2)CC[C@@H]1[NH3+] ZINC000423014551 563352945 /nfs/dbraw/zinc/35/29/45/563352945.db2.gz IRYILWKYFWOOOM-CJNGLKHVSA-N 1 0 377.535 2.534 20 0 GFADRO C[C@H]([NH2+]CCc1ccc(O)cc1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000280768228 563353192 /nfs/dbraw/zinc/35/31/92/563353192.db2.gz RDHVSZUEQHAQAQ-NSHDSACASA-N 1 0 399.310 2.695 20 0 GFADRO C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)C(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000423082685 563354658 /nfs/dbraw/zinc/35/46/58/563354658.db2.gz FOMCHFSOPNINPT-FTLABTOESA-N 1 0 386.323 2.956 20 0 GFADRO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N(C)[C@H](C)c2ccc(Cl)cc2Cl)C1 ZINC000423091890 563354880 /nfs/dbraw/zinc/35/48/80/563354880.db2.gz ZMMIJBVLTATURD-OLZOCXBDSA-N 1 0 386.323 2.971 20 0 GFADRO C[NH2+]CC1CCN(C(=O)C(=O)N(C)[C@H](C)c2ccc(Cl)c(Cl)c2)CC1 ZINC000423110708 563356266 /nfs/dbraw/zinc/35/62/66/563356266.db2.gz IJJNQBMFXZUUSL-GFCCVEGCSA-N 1 0 386.323 2.971 20 0 GFADRO C[C@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000423113216 563356315 /nfs/dbraw/zinc/35/63/15/563356315.db2.gz KOBYSCFJSAPJDU-BNOWGMLFSA-N 1 0 384.307 2.581 20 0 GFADRO COC[C@]1(C(=O)N2CCO[C@H](c3cc(F)c(Cl)cc3Cl)C2)CC[NH2+]C1 ZINC000423150380 563357032 /nfs/dbraw/zinc/35/70/32/563357032.db2.gz BVZZINCPVFZNHN-RDJZCZTQSA-N 1 0 391.270 2.659 20 0 GFADRO [NH3+][C@@H](C(=O)NCC1(c2ccc(Br)cc2)CCOCC1)C1CCC1 ZINC000423135457 563357160 /nfs/dbraw/zinc/35/71/60/563357160.db2.gz UBBJMFMTHUIHHQ-MRXNPFEDSA-N 1 0 381.314 2.741 20 0 GFADRO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000423155384 563357164 /nfs/dbraw/zinc/35/71/64/563357164.db2.gz JGCSZLRFUDCHBU-UHFFFAOYSA-N 1 0 384.307 2.554 20 0 GFADRO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000423161917 563357805 /nfs/dbraw/zinc/35/78/05/563357805.db2.gz SSCIBKMCYPILKM-RCBQFDQVSA-N 1 0 384.307 2.538 20 0 GFADRO CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000423195667 563358546 /nfs/dbraw/zinc/35/85/46/563358546.db2.gz XZDDEDHNNSDGKO-XJKSGUPXSA-N 1 0 384.307 2.552 20 0 GFADRO CC[C@@H]([NH2+][C@@H]1CC[C@H](C(=O)OC)C1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000280873669 563358726 /nfs/dbraw/zinc/35/87/26/563358726.db2.gz NYDXBDBVWKJAMF-GZBFAFLISA-N 1 0 388.917 2.631 20 0 GFADRO O=C(c1cc(C(F)(F)F)cc(Cl)n1)N1CCC[C@@H]1CN1CCOCC1 ZINC000374038178 563359108 /nfs/dbraw/zinc/35/91/08/563359108.db2.gz NNGRALMAYAHCPC-GFCCVEGCSA-N 1 0 377.794 2.691 20 0 GFADRO C[C@H](NC[C@@H]([NH3+])c1ccccc1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000423248377 563359244 /nfs/dbraw/zinc/35/92/44/563359244.db2.gz NEHDUJMJRHRLJJ-ZUZCIYMTSA-N 1 0 388.320 2.991 20 0 GFADRO CCn1ccnc1[C@H](NC[C@@H](C)C[NH3+])c1ccc(I)cc1 ZINC000423313953 563359338 /nfs/dbraw/zinc/35/93/38/563359338.db2.gz XMAJVANKQNUXBS-SWLSCSKDSA-N 1 0 398.292 2.781 20 0 GFADRO CN(CCC[NH+]1CCCC1)C(=O)NCCCCn1cc(Br)cn1 ZINC000280912127 563360044 /nfs/dbraw/zinc/36/00/44/563360044.db2.gz AAWYIIPMXURIQA-UHFFFAOYSA-N 1 0 386.338 2.553 20 0 GFADRO Cc1c([C@H](C)N[C@H]2C[NH2+]CC[C@H]2C)nnn1-c1cccc(Br)c1 ZINC000423366308 563360605 /nfs/dbraw/zinc/36/06/05/563360605.db2.gz QEFGGTWQULPKOX-WQGACYEGSA-N 1 0 378.318 2.987 20 0 GFADRO C[NH+]1CCC2(CCCN([C@H](C(N)=O)c3ccc(Br)cc3F)C2)CC1 ZINC000374076157 563360824 /nfs/dbraw/zinc/36/08/24/563360824.db2.gz ZTKLRAPHSORWCJ-INIZCTEOSA-N 1 0 398.320 2.922 20 0 GFADRO C[C@@H]([NH2+]CC1(S(C)(=O)=O)CCC1)c1ccccc1I ZINC000280945981 563361779 /nfs/dbraw/zinc/36/17/79/563361779.db2.gz JERXARNTNVKBKD-LLVKDONJSA-N 1 0 393.290 2.909 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000423747679 563363692 /nfs/dbraw/zinc/36/36/92/563363692.db2.gz QQEPLZAXSLAOOG-GXTWGEPZSA-N 1 0 377.286 2.800 20 0 GFADRO C[NH+]1CCC2(CCCN(C(=O)c3ccc(Cl)c(S(C)(=O)=O)c3)C2)CC1 ZINC000374163022 563363836 /nfs/dbraw/zinc/36/38/36/563363836.db2.gz NWFFSFSHDRAOGW-UHFFFAOYSA-N 1 0 384.929 2.692 20 0 GFADRO CC(C)[C@H](C(=O)NCc1nc(-c2cccc(Br)c2)no1)[C@@H](C)[NH3+] ZINC000423934301 563364393 /nfs/dbraw/zinc/36/43/93/563364393.db2.gz YQOFGDRCZDLGMO-YGRLFVJLSA-N 1 0 381.274 2.735 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)N(C)[C@@H](C[NH3+])C1CC1 ZINC000423944272 563365130 /nfs/dbraw/zinc/36/51/30/563365130.db2.gz HKQZWTZERYZGFH-HIFRSBDPSA-N 1 0 384.567 2.547 20 0 GFADRO C[C@H](CNC(=O)c1cccc(NC(=O)c2ccc(Br)o2)c1)[NH+](C)C ZINC000298758117 563365317 /nfs/dbraw/zinc/36/53/17/563365317.db2.gz QKKYAISMNDPQNT-LLVKDONJSA-N 1 0 394.269 2.974 20 0 GFADRO C[C@@H]1CN(C(=O)[C@@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)C[C@@]1(C)C[NH3+] ZINC000423987961 563366397 /nfs/dbraw/zinc/36/63/97/563366397.db2.gz XCLFEPOWMSXODK-SUFBMKPHSA-N 1 0 384.307 2.790 20 0 GFADRO [NH3+][C@@H]1CN(C(=O)COc2cccc(Br)c2)C[C@H]1c1ccccc1F ZINC000424039325 563367653 /nfs/dbraw/zinc/36/76/53/563367653.db2.gz NKJZLEQEZTYAPV-DOTOQJQBSA-N 1 0 393.256 2.920 20 0 GFADRO O=S(=O)(C[C@H](O)C[NH2+][C@H]1CCC[C@H](c2cccnc2)C1)c1cccs1 ZINC000374320413 563368136 /nfs/dbraw/zinc/36/81/36/563368136.db2.gz IUPNLNBMVULMPA-BHYGNILZSA-N 1 0 380.535 2.594 20 0 GFADRO O=C(c1ccc(I)c(Cl)c1)N1CCC2(CC[NH2+]2)CC1 ZINC000424051903 563368430 /nfs/dbraw/zinc/36/84/30/563368430.db2.gz LGSFXOFNZDIEIQ-UHFFFAOYSA-N 1 0 390.652 2.913 20 0 GFADRO [NH3+]CC1(O)CCN(C(=O)C2(c3cc(C(F)(F)F)ccc3Cl)CC2)CC1 ZINC000424052351 563368449 /nfs/dbraw/zinc/36/84/49/563368449.db2.gz BKJLIKFLRFERCW-UHFFFAOYSA-N 1 0 376.806 2.703 20 0 GFADRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)c1cc(I)ccc1Cl ZINC000424072926 563369330 /nfs/dbraw/zinc/36/93/30/563369330.db2.gz GWSKZFAOYXSVJF-UFBFGSQYSA-N 1 0 378.641 2.815 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2C(=O)c1cc(F)cc(Br)c1 ZINC000374412170 563371193 /nfs/dbraw/zinc/37/11/93/563371193.db2.gz QHIVWPJSWKJWNZ-PMPSAXMXSA-N 1 0 385.277 2.912 20 0 GFADRO C[C@H](CNC(=O)N(C)C[C@H](O)c1cccc(Br)c1)[N@H+](C)C1CC1 ZINC000298955515 563371761 /nfs/dbraw/zinc/37/17/61/563371761.db2.gz QCOHXZGUUZXOEQ-WBMJQRKESA-N 1 0 384.318 2.607 20 0 GFADRO CS(=O)(=O)CCCC[NH2+]C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000424175292 563372658 /nfs/dbraw/zinc/37/26/58/563372658.db2.gz UIQXMFDLSUZWFC-UHFFFAOYSA-N 1 0 376.925 2.858 20 0 GFADRO C[C@H]1CC2(CN1C(=O)[C@@H]1COc3ccc(Br)cc31)CC[NH2+]CC2 ZINC000424232263 563374620 /nfs/dbraw/zinc/37/46/20/563374620.db2.gz HCYKZWKDRITTCD-SWLSCSKDSA-N 1 0 379.298 2.916 20 0 GFADRO Cn1cc([C@@H]2CN(C(=O)CCCSc3ccc(Cl)cc3)C[C@H]2[NH3+])cn1 ZINC000424237759 563375117 /nfs/dbraw/zinc/37/51/17/563375117.db2.gz MHOULLGGMWZQFS-DLBZAZTESA-N 1 0 378.929 2.899 20 0 GFADRO COC(=O)CC1CC([NH2+]Cc2ccc(Br)cc2N2CCOCC2)C1 ZINC000424303625 563375723 /nfs/dbraw/zinc/37/57/23/563375723.db2.gz OKSDTCWWNFLMBG-UHFFFAOYSA-N 1 0 397.313 2.717 20 0 GFADRO Cc1ccc(NC(=O)C(=O)N(C)CCC[NH+]2CCCC2)c(Br)c1 ZINC000281439992 563377192 /nfs/dbraw/zinc/37/71/92/563377192.db2.gz MDAMDZBNZACRMC-UHFFFAOYSA-N 1 0 382.302 2.640 20 0 GFADRO CC(=O)Nc1cc(F)c(S(=O)(=O)N(C)CCC[NH+]2CCCC2)cc1Cl ZINC000281429568 563377230 /nfs/dbraw/zinc/37/72/30/563377230.db2.gz GMFZMLJXHCUYFG-UHFFFAOYSA-N 1 0 391.896 2.544 20 0 GFADRO Cc1c(Br)cccc1NC(=O)C(=O)N(C)CCC[NH+]1CCCC1 ZINC000281423554 563377362 /nfs/dbraw/zinc/37/73/62/563377362.db2.gz KNNXXULRPRAZKC-UHFFFAOYSA-N 1 0 382.302 2.640 20 0 GFADRO C[C@H]1CC2(CN1S(=O)(=O)c1ccc(C(F)(F)F)cc1F)CC[NH2+]CC2 ZINC000424386248 563377518 /nfs/dbraw/zinc/37/75/18/563377518.db2.gz FAEGMVOIJGXWIA-NSHDSACASA-N 1 0 380.407 2.997 20 0 GFADRO C[C@H](C(F)(F)F)S(=O)(=O)N1CCC2(C[C@H]2N(C)Cc2nccs2)CC1 ZINC000374731496 563381512 /nfs/dbraw/zinc/38/15/12/563381512.db2.gz BLTXFKCDXQFNAN-VXGBXAGGSA-N 1 0 397.488 2.710 20 0 GFADRO COc1cc(Br)c(C[N@@H+]2CCCC[C@@H]2[C@@H]2CNC(=O)C2)cc1O ZINC000374897486 563385999 /nfs/dbraw/zinc/38/59/99/563385999.db2.gz PXWXXEYSKQYUNI-SMDDNHRTSA-N 1 0 383.286 2.654 20 0 GFADRO O=C(Cc1noc2ccc(Br)cc21)N1CC[NH+](C2CCC2)CC1 ZINC000424661853 563386506 /nfs/dbraw/zinc/38/65/06/563386506.db2.gz FSORHRKUKBMPCJ-UHFFFAOYSA-N 1 0 378.270 2.830 20 0 GFADRO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)c1cc(F)ccc1I ZINC000299633092 563387780 /nfs/dbraw/zinc/38/77/80/563387780.db2.gz LYFUGKMECUDCFM-SNVBAGLBSA-N 1 0 388.224 2.644 20 0 GFADRO C[N@@H+]1CC[C@H]2CCN(CCC(=O)Nc3ccc(Br)cc3F)C[C@@H]21 ZINC000375033987 563389030 /nfs/dbraw/zinc/38/90/30/563389030.db2.gz BRLQXGQKYFWJGB-LRDDRELGSA-N 1 0 384.293 2.943 20 0 GFADRO [NH3+]CC[C@@H]1CCCN(C(=O)/C=C/c2cc(Br)c3c(c2)OCCO3)C1 ZINC000281880110 563389184 /nfs/dbraw/zinc/38/91/84/563389184.db2.gz GCPRMXISFULVMV-OOPCZODUSA-N 1 0 395.297 2.821 20 0 GFADRO CC(C)[N@H+](C)CCCNC(=O)c1cc(F)ccc1I ZINC000299686129 563389329 /nfs/dbraw/zinc/38/93/29/563389329.db2.gz XWOPLJINAATZDR-UHFFFAOYSA-N 1 0 378.229 2.890 20 0 GFADRO Cc1sc(C(=O)N2CCC([N@H+](C)CCCO)CC2)cc1Br ZINC000424752354 563389827 /nfs/dbraw/zinc/38/98/27/563389827.db2.gz NZTRXBKXTQODJA-UHFFFAOYSA-N 1 0 375.332 2.738 20 0 GFADRO C[NH+](C)C[C@@H]1CCN(S(=O)(=O)c2cc(Cl)ccc2Br)C1 ZINC000281943016 563391011 /nfs/dbraw/zinc/39/10/11/563391011.db2.gz IXPKAIHDVKJNQW-JTQLQIEISA-N 1 0 381.723 2.675 20 0 GFADRO Cc1oc(Br)cc1C(=O)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000424779426 563391508 /nfs/dbraw/zinc/39/15/08/563391508.db2.gz MDPYWGAUNLTSER-UHFFFAOYSA-N 1 0 398.345 2.840 20 0 GFADRO C[C@]12CCN(C(=O)NC[C@@H]3CCC[C@@H]3[NH+]3CCOCC3)C[C@H]1C2(Cl)Cl ZINC000375164367 563393385 /nfs/dbraw/zinc/39/33/85/563393385.db2.gz FMRKAPGKAMUTCS-MPTYRVRUSA-N 1 0 390.355 2.713 20 0 GFADRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)S(=O)(=O)c1cccc(Br)c1F ZINC000281998042 563393570 /nfs/dbraw/zinc/39/35/70/563393570.db2.gz VAWRMRXEKNJDIY-CMPLNLGQSA-N 1 0 379.295 2.549 20 0 GFADRO CC1CC[NH+]([C@H](CNc2ncc(S(N)(=O)=O)s2)c2cccs2)CC1 ZINC000301139311 563393736 /nfs/dbraw/zinc/39/37/36/563393736.db2.gz GJLOIYWACINLNO-GFCCVEGCSA-N 1 0 386.568 2.737 20 0 GFADRO O=C(c1n[nH]c2ccc(Br)cc21)N1CCCC2(CC[NH2+]CC2)C1 ZINC000375251478 563397607 /nfs/dbraw/zinc/39/76/07/563397607.db2.gz VVOVUNKCMVABQG-UHFFFAOYSA-N 1 0 377.286 2.931 20 0 GFADRO C[C@H](CNc1ccc(S(N)(=O)=O)cc1C(F)(F)F)[N@@H+]1CCC[C@@H](C)C1 ZINC000301373555 563401454 /nfs/dbraw/zinc/40/14/54/563401454.db2.gz QNEXVKPTHBJBOH-VXGBXAGGSA-N 1 0 379.448 2.885 20 0 GFADRO Cc1csc(C(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)c1I ZINC000425064705 563402902 /nfs/dbraw/zinc/40/29/02/563402902.db2.gz ITPPORJYLBKDMF-WDEREUQCSA-N 1 0 390.290 2.827 20 0 GFADRO COc1ccc(Br)cc1CN1C[C@@H](C(N)=O)[C@H](C(F)(F)F)C1 ZINC000375407908 563403514 /nfs/dbraw/zinc/40/35/14/563403514.db2.gz ZCWCCWCNGPAPEB-GHMZBOCLSA-N 1 0 381.192 2.553 20 0 GFADRO CN(CC[NH+](C)C)c1ccc(Br)cc1NC(=O)CCn1cccn1 ZINC000425101087 563405079 /nfs/dbraw/zinc/40/50/79/563405079.db2.gz XSDNYWJHISPPJT-UHFFFAOYSA-N 1 0 394.317 2.672 20 0 GFADRO C[C@@H](CO)[N@@H+]1CCCN(C(=O)Cc2csc(-c3ccc(Cl)s3)n2)CC1 ZINC000375493929 563407057 /nfs/dbraw/zinc/40/70/57/563407057.db2.gz DKGYQMBXNKEMSV-LBPRGKRZSA-N 1 0 399.969 2.983 20 0 GFADRO Cn1nc(Br)c2c1ncnc2N(CC[NH+](C)C)Cc1ccccc1 ZINC000301673233 563409655 /nfs/dbraw/zinc/40/96/55/563409655.db2.gz ZVNKUPSVDUZJKO-UHFFFAOYSA-N 1 0 389.301 2.694 20 0 GFADRO COc1cc2[nH+]ccc(NC3CCN(C(C)=O)CC3)c2cc1Br ZINC000425203578 563410622 /nfs/dbraw/zinc/41/06/22/563410622.db2.gz ROTMBNPHOOKYRA-UHFFFAOYSA-N 1 0 378.270 2.851 20 0 GFADRO COCC[N@@H+]1CC[C@H](NC(=O)C(C)(C)c2csc(-c3cccs3)n2)C1 ZINC000282456822 563411890 /nfs/dbraw/zinc/41/18/90/563411890.db2.gz FTLUIDILZQOSHN-ZDUSSCGKSA-N 1 0 379.551 2.986 20 0 GFADRO COc1cc2[nH+]ccc(NCC3(S(C)(=O)=O)CCC3)c2cc1Br ZINC000425262083 563415801 /nfs/dbraw/zinc/41/58/01/563415801.db2.gz QUJPUZSKDHJXHO-UHFFFAOYSA-N 1 0 399.310 2.807 20 0 GFADRO COc1cc2[nH+]ccc(NC[C@@H]3CCCN(C(N)=O)C3)c2cc1Br ZINC000425267220 563416466 /nfs/dbraw/zinc/41/64/66/563416466.db2.gz KZGCPSNDDUEJSM-NSHDSACASA-N 1 0 393.285 2.630 20 0 GFADRO O=S1(=O)CCCN1C1CCC([NH2+]Cc2cscc2Br)CC1 ZINC000375752269 563417126 /nfs/dbraw/zinc/41/71/26/563417126.db2.gz BPLDISXQKHJKCT-UHFFFAOYSA-N 1 0 393.372 2.947 20 0 GFADRO NC(=O)c1ccccc1N1CC[C@@H]([NH2+]Cc2cscc2Br)C1 ZINC000375740202 563417168 /nfs/dbraw/zinc/41/71/68/563417168.db2.gz DSJDJOFMZILVLT-GFCCVEGCSA-N 1 0 380.311 2.978 20 0 GFADRO C[C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000375795743 563418413 /nfs/dbraw/zinc/41/84/13/563418413.db2.gz RGNSXFKSZYUGNM-OAUYIBNBSA-N 1 0 386.323 2.851 20 0 GFADRO CC1(C)[C@H]([NH2+]C[C@@H]2CCN(S(=O)(=O)c3cccs3)C2)[C@H]2CCCO[C@@H]21 ZINC000375836373 563420905 /nfs/dbraw/zinc/42/09/05/563420905.db2.gz CFPJCXNHBQUIET-ABFRBSLYSA-N 1 0 384.567 2.552 20 0 GFADRO C[NH+](C)C1CN(c2ncccc2C(=O)Nc2ccc(Br)cc2)C1 ZINC000302132190 563421622 /nfs/dbraw/zinc/42/16/22/563421622.db2.gz KRNCAHSELSDRMQ-UHFFFAOYSA-N 1 0 375.270 2.847 20 0 GFADRO CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)c3sccc3Br)C2)CC1 ZINC000375879261 563421789 /nfs/dbraw/zinc/42/17/89/563421789.db2.gz XWGJDJCFNHNTQU-CYBMUJFWSA-N 1 0 386.359 2.751 20 0 GFADRO C[C@@H]1CN(c2ccnc3cc(Br)cnc32)CC[N@@H+]1CC(C)(C)O ZINC000302464398 563425205 /nfs/dbraw/zinc/42/52/05/563425205.db2.gz AXKLHIHXGMYOTH-GFCCVEGCSA-N 1 0 379.302 2.674 20 0 GFADRO C[NH+]1CCC(n2ccc(NC(=O)NCc3ccccc3Br)n2)CC1 ZINC000376076995 563429339 /nfs/dbraw/zinc/42/93/39/563429339.db2.gz ACIOKGUDAKEJGT-UHFFFAOYSA-N 1 0 392.301 3.234 20 0 GFADRO CCO[C@H](CC[NH+](C)C)CNC(=O)Nc1cnc2c(Br)cccn12 ZINC000425675269 563431202 /nfs/dbraw/zinc/43/12/02/563431202.db2.gz RGWLDXPQCMSVKX-GFCCVEGCSA-N 1 0 398.305 2.575 20 0 GFADRO O=C(NC[C@H]1CCC[N@H+]1CCCO)Nc1cc(Cl)ccc1OC(F)F ZINC000425712742 563432919 /nfs/dbraw/zinc/43/29/19/563432919.db2.gz MKCKTCPIOVNGSX-GFCCVEGCSA-N 1 0 377.819 2.910 20 0 GFADRO C[C@H]1CN(c2ncc(I)cn2)CC[N@@H+]1Cc1ccccc1 ZINC000307450422 563433689 /nfs/dbraw/zinc/43/36/89/563433689.db2.gz OIWUXKUXCJTJJT-ZDUSSCGKSA-N 1 0 394.260 2.792 20 0 GFADRO [NH3+]C[C@]12CCC[C@H]1CN(S(=O)(=O)c1ccc(Cl)c(Br)c1)C2 ZINC000314025675 563438457 /nfs/dbraw/zinc/43/84/57/563438457.db2.gz SXVAMHTWCRCIRZ-HZMBPMFUSA-N 1 0 393.734 2.852 20 0 GFADRO CC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCSc3ccc(Cl)cc32)CC1 ZINC000283229687 563439664 /nfs/dbraw/zinc/43/96/64/563439664.db2.gz AHJHGRCMWCKIQU-HNNXBMFYSA-N 1 0 381.929 2.594 20 0 GFADRO CCOc1ccc(Br)cc1S(=O)(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000315121064 563439966 /nfs/dbraw/zinc/43/99/66/563439966.db2.gz NNLIMZGJHFFKMH-RYUDHWBXSA-N 1 0 391.331 2.514 20 0 GFADRO Cc1c(C(=O)N[C@H]2CCC[NH2+]CC2)cnn1-c1ccc(Br)cc1 ZINC000376388032 563440409 /nfs/dbraw/zinc/44/04/09/563440409.db2.gz RCERSVYIJGIRPE-AWEZNQCLSA-N 1 0 377.286 2.815 20 0 GFADRO CN(C)c1ncc(Br)cc1C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000376401310 563441076 /nfs/dbraw/zinc/44/10/76/563441076.db2.gz AFZQHNZJVIOVEL-PBWFPOADSA-N 1 0 381.318 2.607 20 0 GFADRO CCN(CC[NH2+][C@H](C)c1cccc(NS(C)(=O)=O)c1)CCC(F)(F)F ZINC000426060507 563442514 /nfs/dbraw/zinc/44/25/14/563442514.db2.gz RHZPDBZQBSELHU-CYBMUJFWSA-N 1 0 381.464 2.983 20 0 GFADRO CCN(CC[NH2+][C@@H](C)c1ccc(S(=O)(=O)NC)cc1)CCC(F)(F)F ZINC000426041000 563442863 /nfs/dbraw/zinc/44/28/63/563442863.db2.gz CCYXKXBXXGTHGH-ZDUSSCGKSA-N 1 0 381.464 2.520 20 0 GFADRO Cc1cc(NC(=O)C(=O)NCC[NH+]2CCCCCC2)cc(C)c1Br ZINC000426109850 563444016 /nfs/dbraw/zinc/44/40/16/563444016.db2.gz LKFFYMMQKNKNQP-UHFFFAOYSA-N 1 0 396.329 2.997 20 0 GFADRO O=S(=O)(c1ccc(Br)c(F)c1)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000318728342 563444083 /nfs/dbraw/zinc/44/40/83/563444083.db2.gz LWOAHGGTAFPXMO-XHDPSFHLSA-N 1 0 391.306 2.741 20 0 GFADRO C[C@H](c1ncc(Br)cn1)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000376552224 563446068 /nfs/dbraw/zinc/44/60/68/563446068.db2.gz JOWLDWIFKCBUKY-KTFSGNIMSA-N 1 0 394.361 2.543 20 0 GFADRO COc1ccc(CN2CCC[C@@H](S(N)(=O)=O)C2)cc1SC(F)(F)F ZINC000376616391 563448257 /nfs/dbraw/zinc/44/82/57/563448257.db2.gz XBYJNIIPJXIFHD-LLVKDONJSA-N 1 0 384.445 2.560 20 0 GFADRO COc1ccc(Br)c(CN[C@@H]2CCCc3c2cnn3CCO)c1 ZINC000322929178 563450565 /nfs/dbraw/zinc/45/05/65/563450565.db2.gz MYYKKUWWWYHHJZ-MRXNPFEDSA-N 1 0 380.286 2.814 20 0 GFADRO O=C(C[N@@H+]1CC[C@H]2CCC[C@H]21)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000426462199 563451199 /nfs/dbraw/zinc/45/11/99/563451199.db2.gz VBWYZSJFPMHJLK-CZUORRHYSA-N 1 0 383.323 2.911 20 0 GFADRO CN(Cc1ccccc1Br)C(=O)CN1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000324230961 563452472 /nfs/dbraw/zinc/45/24/72/563452472.db2.gz VBUMYXQRRCFRKJ-FUHWJXTLSA-N 1 0 394.357 2.872 20 0 GFADRO O=S1(=O)CC[C@@H]([NH2+]C[C@@H]2CCN(CC(F)(F)F)C2)c2cc(F)ccc21 ZINC000326842207 563455683 /nfs/dbraw/zinc/45/56/83/563455683.db2.gz LXCMSTWKABMKFT-SMDDNHRTSA-N 1 0 380.407 2.518 20 0 GFADRO O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000327400922 563457790 /nfs/dbraw/zinc/45/77/90/563457790.db2.gz KFDYTZCZCJRCDC-HNNXBMFYSA-N 1 0 378.416 2.738 20 0 GFADRO Cc1cc(Br)cn2c(C[NH2+][C@H](CO)C[C@@H](O)C(C)(C)C)cnc12 ZINC000283960153 563460262 /nfs/dbraw/zinc/46/02/62/563460262.db2.gz KOUGJBZUINAXFH-DZGCQCFKSA-N 1 0 384.318 2.653 20 0 GFADRO C[N@H+](CC(=O)N1CCC[C@H](c2nc(C(F)(F)F)c[nH]2)C1)[C@@H]1CCSC1 ZINC000328598405 563461802 /nfs/dbraw/zinc/46/18/02/563461802.db2.gz BCGPFKHERVMBJT-NWDGAFQWSA-N 1 0 376.448 2.572 20 0 GFADRO O=C(c1cc(C(F)(F)F)cc(Cl)n1)N1CC[NH+](C2CCOCC2)CC1 ZINC000377060348 563461877 /nfs/dbraw/zinc/46/18/77/563461877.db2.gz FYJZNRQNIMKCHT-UHFFFAOYSA-N 1 0 377.794 2.691 20 0 GFADRO Cc1csc(-c2cccc(S(=O)(=O)N[C@@H]3C[N@H+](C4CC4)C[C@H]3C)c2)n1 ZINC000328676779 563462961 /nfs/dbraw/zinc/46/29/61/563462961.db2.gz RVZLGHFSBHGYQH-SJKOYZFVSA-N 1 0 377.535 2.880 20 0 GFADRO CC[N@H+](CCNC(=O)[C@H](O)Cc1c(F)cccc1Cl)CCC(F)(F)F ZINC000427272494 563464302 /nfs/dbraw/zinc/46/43/02/563464302.db2.gz CUSNPPIECMLOHF-CQSZACIVSA-N 1 0 384.801 2.773 20 0 GFADRO O=C1[C@H]([NH2+][C@@H](c2cncc(Br)c2)C2CC2)CCN1C1CCOCC1 ZINC000328914877 563467900 /nfs/dbraw/zinc/46/79/00/563467900.db2.gz QNONSZVYAAXCGT-IAGOWNOFSA-N 1 0 394.313 2.665 20 0 GFADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc(Br)c4c3OCCC4)[C@@H]2C1 ZINC000427454357 563468202 /nfs/dbraw/zinc/46/82/02/563468202.db2.gz YXQJPXJEXOEDER-MLGOLLRUSA-N 1 0 379.298 2.940 20 0 GFADRO C[C@H]([NH2+][C@@H](c1cncc(Br)c1)C1CC1)C(=O)Nc1ncccn1 ZINC000284315144 563469928 /nfs/dbraw/zinc/46/99/28/563469928.db2.gz ASFNXYUJQJZDEN-IINYFYTJSA-N 1 0 376.258 2.702 20 0 GFADRO CC[NH+]1CCC(NC(=O)c2cc(Br)cnc2OCC2CC2)CC1 ZINC000329021165 563470500 /nfs/dbraw/zinc/47/05/00/563470500.db2.gz SUDVSTPTQPFBEH-UHFFFAOYSA-N 1 0 382.302 2.847 20 0 GFADRO COC(=O)c1ccc(C[NH2+]C(C)(C)CCS(C)(=O)=O)c(Br)c1 ZINC000284382187 563472800 /nfs/dbraw/zinc/47/28/00/563472800.db2.gz ONQDTQDZHHGPPF-UHFFFAOYSA-N 1 0 392.315 2.539 20 0 GFADRO O=S(=O)(c1cccs1)N1CCC([NH2+]C[C@@H]2COc3ccccc32)CC1 ZINC000377566869 563479255 /nfs/dbraw/zinc/47/92/55/563479255.db2.gz VPZYQFDRJOXISR-CQSZACIVSA-N 1 0 378.519 2.667 20 0 GFADRO Brc1cccc(Cc2noc(CN3CC[C@@H]4[NH2+]CC[C@H]4C3)n2)c1 ZINC000428034211 563480794 /nfs/dbraw/zinc/48/07/94/563480794.db2.gz NNTKWKCDJYKMSP-ZFWWWQNUSA-N 1 0 377.286 2.607 20 0 GFADRO Cn1cc(C(=O)NC2CCN(Cc3cscc3Br)CC2)cn1 ZINC000377660652 563482575 /nfs/dbraw/zinc/48/25/75/563482575.db2.gz YRGLKFSLSSGQSS-UHFFFAOYSA-N 1 0 383.315 2.639 20 0 GFADRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1Cc1ncc(I)s1 ZINC000377705239 563484140 /nfs/dbraw/zinc/48/41/40/563484140.db2.gz YYWNILBGOBNNCH-GHMZBOCLSA-N 1 0 377.295 2.806 20 0 GFADRO CC(C)(C)NC(=O)NC(=O)C[NH2+][C@@H](c1cncc(Br)c1)C1CC1 ZINC000284689278 563486020 /nfs/dbraw/zinc/48/60/20/563486020.db2.gz HVYVKKXKQSVLAD-CQSZACIVSA-N 1 0 383.290 2.509 20 0 GFADRO C[NH+](C)CC[C@H](NC(=O)C(=O)Nc1nc(C(F)(F)F)cs1)C(C)(C)C ZINC000284683511 563486221 /nfs/dbraw/zinc/48/62/21/563486221.db2.gz HCQQXPDPOSDNKH-VIFPVBQESA-N 1 0 380.436 2.583 20 0 GFADRO CC(C)n1cc(S(=O)(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)cn1 ZINC000329755426 563487432 /nfs/dbraw/zinc/48/74/32/563487432.db2.gz YBEPEBRUJWJRHR-WMLDXEAASA-N 1 0 382.555 2.887 20 0 GFADRO C[C@@H]1CN(Cc2ccc(Br)c(Br)c2)CC[N@@H+]1CCO ZINC000428455681 563493450 /nfs/dbraw/zinc/49/34/50/563493450.db2.gz GOAIBGCAHIGPFA-LLVKDONJSA-N 1 0 392.135 2.710 20 0 GFADRO CCN(C[C@@H](O)C(F)(F)F)C(=O)c1ccc(C[NH+]2CCSCC2)cc1 ZINC000428508599 563493692 /nfs/dbraw/zinc/49/36/92/563493692.db2.gz GDRZSFHZXTVQGW-OAHLLOKOSA-N 1 0 376.444 2.621 20 0 GFADRO CC(C)(C)n1cc(C[NH2+]C[C@@H](CO)Cc2ccc(Br)cc2)nn1 ZINC000428534422 563495030 /nfs/dbraw/zinc/49/50/30/563495030.db2.gz JWWPNBLAHMKEHM-AWEZNQCLSA-N 1 0 381.318 2.736 20 0 GFADRO CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+]CCc2ccc(OCC(F)(F)F)nc2)C1 ZINC000284946693 563496214 /nfs/dbraw/zinc/49/62/14/563496214.db2.gz FAAUWMNJXAPAOO-UONOGXRCSA-N 1 0 380.432 2.511 20 0 GFADRO O=C(c1cn2ccc(Br)cc2n1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000285116491 563503654 /nfs/dbraw/zinc/50/36/54/563503654.db2.gz IFXJAYDTNDJBLM-AWEZNQCLSA-N 1 0 377.286 2.797 20 0 GFADRO C[C@H](NC(=O)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1)c1cccc(Cl)c1Cl ZINC000285123709 563504444 /nfs/dbraw/zinc/50/44/44/563504444.db2.gz LDZWUKNLUMQQNE-RYUDHWBXSA-N 1 0 384.307 2.771 20 0 GFADRO C[C@@H]1CN(C(=O)c2cccc(Br)c2)CCN1C1CC[NH+](C)CC1 ZINC000378369593 563504644 /nfs/dbraw/zinc/50/46/44/563504644.db2.gz YFZRYCPECYYHFQ-CQSZACIVSA-N 1 0 380.330 2.690 20 0 GFADRO O=C(Nc1cnc2c(c1)C[NH2+]CC2)c1csc(I)c1 ZINC000378396224 563505293 /nfs/dbraw/zinc/50/52/93/563505293.db2.gz DCEOQBPOCQHSKF-UHFFFAOYSA-N 1 0 385.230 2.646 20 0 GFADRO CCOc1c(Br)cc(C(=O)N[C@H](C)[C@@H]2CCC[NH2+]C2)cc1OC ZINC000428996591 563506473 /nfs/dbraw/zinc/50/64/73/563506473.db2.gz SBGPXYKSSYXCKF-VXGBXAGGSA-N 1 0 385.302 2.974 20 0 GFADRO C[C@H]([NH2+][C@H]1CCN(c2ccccc2Cl)C1)c1cccc(S(N)(=O)=O)c1 ZINC000378427400 563506513 /nfs/dbraw/zinc/50/65/13/563506513.db2.gz IHWATQNKZGNDLT-ZFWWWQNUSA-N 1 0 379.913 2.917 20 0 GFADRO Cc1cc(COc2ccc(C(=O)NCC[C@H](C)[NH3+])cc2Br)no1 ZINC000429042379 563508245 /nfs/dbraw/zinc/50/82/45/563508245.db2.gz QTCFJWFBBOGVAJ-JTQLQIEISA-N 1 0 382.258 2.792 20 0 GFADRO C[C@H]1CCCN(C(=O)c2cnc(Sc3nccn3C)c(Cl)c2)[C@H]1C[NH3+] ZINC000429160366 563510702 /nfs/dbraw/zinc/51/07/02/563510702.db2.gz HCNGAYLQACTGCL-FZMZJTMJSA-N 1 0 379.917 2.819 20 0 GFADRO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)[C@H](c1ccc(Cl)cc1Cl)N1CCOCC1 ZINC000429136447 563511085 /nfs/dbraw/zinc/51/10/85/563511085.db2.gz RPSWZCAZZKLJMS-VUCTXSBTSA-N 1 0 386.323 2.610 20 0 GFADRO Cc1c(Br)cccc1C[NH2+][C@H]1CCCC[C@H]1NS(C)(=O)=O ZINC000330615009 563514263 /nfs/dbraw/zinc/51/42/63/563514263.db2.gz UCBZGWAHRYPCBG-LSDHHAIUSA-N 1 0 375.332 2.708 20 0 GFADRO C[C@H]1CN([C@H](C(N)=O)c2cccc(Br)c2)CC[N@@H+](C2CCC2)C1 ZINC000429411783 563516368 /nfs/dbraw/zinc/51/63/68/563516368.db2.gz WSYQTBUUCVZMHC-DYVFJYSZSA-N 1 0 380.330 2.782 20 0 GFADRO C[C@@H]([NH2+][C@H](CO)CC(F)F)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000429444031 563517020 /nfs/dbraw/zinc/51/70/20/563517020.db2.gz ARVCNYMPFPZKNH-HIFRSBDPSA-N 1 0 376.469 2.528 20 0 GFADRO CCN(CC)C(=O)C[C@@H](C)[NH2+]C[C@@H](CO)Cc1ccc(Br)cc1 ZINC000429455803 563517200 /nfs/dbraw/zinc/51/72/00/563517200.db2.gz QLMQXWLNACWHFI-ZBFHGGJFSA-N 1 0 385.346 2.837 20 0 GFADRO C[C@H]1CC[C@@H]([N@H+](C)CC(=O)NCC(=O)Nc2ccccc2Br)C1 ZINC000429584664 563519222 /nfs/dbraw/zinc/51/92/22/563519222.db2.gz GAAPUENCVIMISV-QWHCGFSZSA-N 1 0 382.302 2.624 20 0 GFADRO CCCN([C@@H]1CC[NH2+]C1)S(=O)(=O)c1cc(Br)ccc1OCC ZINC000388177272 563520704 /nfs/dbraw/zinc/52/07/04/563520704.db2.gz LEEZTYSEQRNDPQ-CYBMUJFWSA-N 1 0 391.331 2.610 20 0 GFADRO COCC[C@]1(C(=O)Nc2ccc(C)c(I)c2)CC[NH2+]C1 ZINC000429747854 563521919 /nfs/dbraw/zinc/52/19/19/563521919.db2.gz YQTOLEZXLOFRKA-OAHLLOKOSA-N 1 0 388.249 2.554 20 0 GFADRO N#Cc1ccccc1OC[C@@H](O)C[NH2+]CCc1ccc(Br)s1 ZINC000390097359 563523040 /nfs/dbraw/zinc/52/30/40/563523040.db2.gz XJPWJNGXRLNAIG-ZDUSSCGKSA-N 1 0 381.295 2.954 20 0 GFADRO Cc1ccc(OC[C@H](O)C[NH2+]CCCn2cc(Br)cn2)c(C)c1 ZINC000391945809 563526324 /nfs/dbraw/zinc/52/63/24/563526324.db2.gz DFSBKAINHCHDIY-MRXNPFEDSA-N 1 0 382.302 2.682 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N2CCC[C@H]([NH+](C)C)CC2)c(Br)c1 ZINC000429866431 563526414 /nfs/dbraw/zinc/52/64/14/563526414.db2.gz NSEXXAPFZIKTAF-AWEZNQCLSA-N 1 0 396.329 2.947 20 0 GFADRO OC1(CC[NH2+]C2CCN(Cc3ccccc3Br)CC2)CCOCC1 ZINC000285549753 563526662 /nfs/dbraw/zinc/52/66/62/563526662.db2.gz QRBXTTFXKZTVOH-UHFFFAOYSA-N 1 0 397.357 2.935 20 0 GFADRO O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000393029225 563527895 /nfs/dbraw/zinc/52/78/95/563527895.db2.gz JCJJUCKWRPUJQD-HUUCEWRRSA-N 1 0 378.416 2.880 20 0 GFADRO C[C@H]([NH2+][C@H]1CCC[C@@H]1CCO)C(=O)N(C)Cc1ccc(Br)cc1 ZINC000285593644 563528084 /nfs/dbraw/zinc/52/80/84/563528084.db2.gz BOKWPNHQCVROSD-LXZKKBNFSA-N 1 0 383.330 2.937 20 0 GFADRO COCCN(C)CC[NH2+]Cc1cc(Br)cc(Br)c1 ZINC000394517354 563530206 /nfs/dbraw/zinc/53/02/06/563530206.db2.gz FNKGBDXWQPBLOK-UHFFFAOYSA-N 1 0 380.124 2.879 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2cc3ccc(Br)cn3n2)[C@@H](C)C1 ZINC000429952213 563530257 /nfs/dbraw/zinc/53/02/57/563530257.db2.gz WLEYWDYEAQTUIE-SWLSCSKDSA-N 1 0 394.317 3.291 20 0 GFADRO COCC[C@]1(C(=O)N(C)CC2(c3ccc(Br)cc3)CC2)CC[NH2+]C1 ZINC000429987346 563530866 /nfs/dbraw/zinc/53/08/66/563530866.db2.gz POIZTSYIPVMSHA-GOSISDBHSA-N 1 0 395.341 2.955 20 0 GFADRO C[C@@H]1C[C@H](C)N(CC(=O)N(C)Cc2ccccc2Br)C[C@H]1C[NH3+] ZINC000397318226 563531435 /nfs/dbraw/zinc/53/14/35/563531435.db2.gz MFEWTNODSWPCJJ-IJEWVQPXSA-N 1 0 382.346 2.713 20 0 GFADRO C[C@H](NC(=O)CN1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C)c1ccc(Br)cc1 ZINC000397308389 563531484 /nfs/dbraw/zinc/53/14/84/563531484.db2.gz HVBVPXFEHCIHPD-HOSILWTGSA-N 1 0 382.346 2.932 20 0 GFADRO CC1(C)NC(=O)N(CCC[NH2+][C@H](CCO)c2ccc(Cl)c(Cl)c2)C1=O ZINC000285706813 563533423 /nfs/dbraw/zinc/53/34/23/563533423.db2.gz WEDYSGABOBQDQN-CQSZACIVSA-N 1 0 388.295 2.727 20 0 GFADRO CS(=O)(=O)N[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc(F)cc(Br)c1 ZINC000331151480 563537736 /nfs/dbraw/zinc/53/77/36/563537736.db2.gz BXABHIYLJACGIZ-UONOGXRCSA-N 1 0 379.295 2.538 20 0 GFADRO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC[C@H](CO)Cc1ccc(Br)cc1 ZINC000430178494 563537842 /nfs/dbraw/zinc/53/78/42/563537842.db2.gz MKMBRGRFXYCFFV-IIAWOOMASA-N 1 0 383.330 2.589 20 0 GFADRO C[C@H](Cc1ccc(Br)cc1)[NH2+][C@H]1CCCC[C@H]1NS(C)(=O)=O ZINC000331185908 563539414 /nfs/dbraw/zinc/53/94/14/563539414.db2.gz UNOKVYNYHBHPCD-UHOFOFEASA-N 1 0 389.359 2.830 20 0 GFADRO CNC(=O)[C@@]1(C)CC[N@H+](CCOc2ccc(Cl)cc2Br)C1 ZINC000430278740 563540384 /nfs/dbraw/zinc/54/03/84/563540384.db2.gz QPHCOCVZWJMMEU-HNNXBMFYSA-N 1 0 375.694 2.939 20 0 GFADRO CC1=C[C@@H](C)C[N@H+](CC(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)C1 ZINC000430287210 563540455 /nfs/dbraw/zinc/54/04/55/563540455.db2.gz DHECNNZQUXQMJM-CYBMUJFWSA-N 1 0 383.323 2.935 20 0 GFADRO COc1ccc(Br)c(S(=O)(=O)N[C@@H]2CCC[N@@H+](C(C)C)C2)c1 ZINC000331236667 563542172 /nfs/dbraw/zinc/54/21/72/563542172.db2.gz UKUFOMRFBKIYFD-GFCCVEGCSA-N 1 0 391.331 2.609 20 0 GFADRO CC(=O)Nc1ccc(S(=O)(=O)N2CCCC23CC[NH+](C)CC3)cc1Cl ZINC000408067394 563543446 /nfs/dbraw/zinc/54/34/46/563543446.db2.gz KVXOPXRROHBANF-UHFFFAOYSA-N 1 0 385.917 2.547 20 0 GFADRO COc1cc(C)c(Br)cc1C(=O)N[C@@H](C)CC[NH+]1CCN(C)CC1 ZINC000286048373 563546375 /nfs/dbraw/zinc/54/63/75/563546375.db2.gz LDNUSVQZBLNIAQ-AWEZNQCLSA-N 1 0 398.345 2.522 20 0 GFADRO C[C@@H](C(=O)NC[C@@H]1CCCC[N@@H+]1CCO)c1ccc(Br)s1 ZINC000331344044 563546456 /nfs/dbraw/zinc/54/64/56/563546456.db2.gz UMKDWYMYKSDVFT-NEPJUHHUSA-N 1 0 375.332 2.577 20 0 GFADRO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+][C@@H](C)c2cc(C(=O)OC)cs2)cc1 ZINC000286073728 563547680 /nfs/dbraw/zinc/54/76/80/563547680.db2.gz MAAPHCAWUJBTSH-NEPJUHHUSA-N 1 0 382.507 2.855 20 0 GFADRO C[C@H]([NH2+]C[C@@H]1CCCS1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430712323 563548296 /nfs/dbraw/zinc/54/82/96/563548296.db2.gz HOBWOKPRTMGWAW-ONGXEEELSA-N 1 0 379.345 2.643 20 0 GFADRO CNC(=O)[C@]1(C)CC[N@H+](Cc2cn(-c3ccc(Br)cc3)nc2C)C1 ZINC000430773046 563548846 /nfs/dbraw/zinc/54/88/46/563548846.db2.gz PQRHLXGQWHXPTP-GOSISDBHSA-N 1 0 391.313 2.901 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N2CCC[C@]3(CC[NH2+]C3)C2)cc1Br ZINC000331414267 563549271 /nfs/dbraw/zinc/54/92/71/563549271.db2.gz NYMJVNILSHNIIL-GOSISDBHSA-N 1 0 394.313 2.607 20 0 GFADRO CC[NH+](CC)C[C@H]1CCCC[C@@H]1NC(=O)Cn1cc(Br)ccc1=O ZINC000430825605 563549583 /nfs/dbraw/zinc/54/95/83/563549583.db2.gz YIJYJSFZPZPVLI-ZBFHGGJFSA-N 1 0 398.345 2.628 20 0 GFADRO C[C@H](NC(=O)C[NH2+]CC1CC1)c1nc(-c2ccc(Br)cc2)no1 ZINC000430855101 563549592 /nfs/dbraw/zinc/54/95/92/563549592.db2.gz QGOIYOODALDHCX-JTQLQIEISA-N 1 0 379.258 2.676 20 0 GFADRO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)NC(C)(C)CCC[NH3+] ZINC000431042982 563552246 /nfs/dbraw/zinc/55/22/46/563552246.db2.gz NIRDNHDGOWLNMR-LBPRGKRZSA-N 1 0 378.922 2.550 20 0 GFADRO O[C@H](COCC(F)(F)F)C[NH+]1CCN(Cc2ccc(F)cc2Cl)CC1 ZINC000431122231 563553982 /nfs/dbraw/zinc/55/39/82/563553982.db2.gz GOTJZKXYBIUBFI-AWEZNQCLSA-N 1 0 384.801 2.537 20 0 GFADRO C[NH+]1CCC(O)(CNC(=O)c2cccc3cccc(Br)c32)CC1 ZINC000286271309 563554461 /nfs/dbraw/zinc/55/44/61/563554461.db2.gz VODVGPSTMMHOEI-UHFFFAOYSA-N 1 0 377.282 2.789 20 0 GFADRO C[C@@H]1[C@H](C)N(C(=O)Nc2ccnn2-c2ccc(Br)cn2)CC[N@H+]1C ZINC000408455433 563557401 /nfs/dbraw/zinc/55/74/01/563557401.db2.gz YKWIDOXSUKTFPY-NEPJUHHUSA-N 1 0 393.289 2.586 20 0 GFADRO CN(C(=O)NCC1(C)CC[NH2+]CC1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000331710025 563558805 /nfs/dbraw/zinc/55/88/05/563558805.db2.gz KFKXKQUECLOLLN-HZPDHXFCSA-N 1 0 386.323 2.983 20 0 GFADRO O=S(=O)(c1cccnc1C(F)(F)F)N1CCC([NH+]2CCCCC2)CC1 ZINC000286493076 563562403 /nfs/dbraw/zinc/56/24/03/563562403.db2.gz CXPHZNFCRPMOGR-UHFFFAOYSA-N 1 0 377.432 2.739 20 0 GFADRO C[NH+](C)CCN(Cc1cccc(Cl)c1)S(=O)(=O)CCC1CCOCC1 ZINC000431550174 563562883 /nfs/dbraw/zinc/56/28/83/563562883.db2.gz KLMXXYNGMHXDAO-UHFFFAOYSA-N 1 0 388.961 2.850 20 0 GFADRO Cc1ccc(CCS(=O)(=O)NCC2([NH+]3CCSCC3)CCCC2)cc1 ZINC000409568276 563565701 /nfs/dbraw/zinc/56/57/01/563565701.db2.gz ZGHQBSJTDZHWRY-UHFFFAOYSA-N 1 0 382.595 2.819 20 0 GFADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2c(C)cc(C)cc2Br)C1 ZINC000431708734 563567477 /nfs/dbraw/zinc/56/74/77/563567477.db2.gz DITHJXUAQCCEAH-AWEZNQCLSA-N 1 0 396.329 2.805 20 0 GFADRO CN(CCC[N@H+](C)Cc1ccco1)S(=O)(=O)c1cnc(Cl)c(F)c1 ZINC000286671761 563570145 /nfs/dbraw/zinc/57/01/45/563570145.db2.gz KQIKMHRHIQNCIK-UHFFFAOYSA-N 1 0 375.853 2.610 20 0 GFADRO COCC[N@@H+]1CCCN(C(=O)C(C)(C)c2ccccc2Br)CC1 ZINC000409755641 563570972 /nfs/dbraw/zinc/57/09/72/563570972.db2.gz WTKBWPATJXVXRQ-UHFFFAOYSA-N 1 0 383.330 2.907 20 0 GFADRO COC(=O)[C@]1(C(F)(F)F)CC[N@H+](C[C@@H](O)COc2ccccc2Cl)C1 ZINC000286713623 563571298 /nfs/dbraw/zinc/57/12/98/563571298.db2.gz WVPLPZUFLGVIHT-ABAIWWIYSA-N 1 0 381.778 2.507 20 0 GFADRO Cc1c([C@H]2[C@H]([NH2+]Cc3cc(Br)ccc3F)CC(=O)N2C)cnn1C ZINC000332021717 563571738 /nfs/dbraw/zinc/57/17/38/563571738.db2.gz QCKDCWOIMUXQLR-WBVHZDCISA-N 1 0 395.276 2.692 20 0 GFADRO C[C@@H]1C[N@H+](CCCNS(=O)(=O)Cc2ccc(Cl)c(Cl)c2)CCCO1 ZINC000432329472 563581016 /nfs/dbraw/zinc/58/10/16/563581016.db2.gz PZBQPCWIBJKQAQ-CYBMUJFWSA-N 1 0 395.352 2.914 20 0 GFADRO CC(=O)c1cc(Br)ccc1OCC(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000286953402 563581527 /nfs/dbraw/zinc/58/15/27/563581527.db2.gz BRYNKURXPVBEJE-SMDDNHRTSA-N 1 0 395.297 2.772 20 0 GFADRO COC(=O)c1cc(NC(=O)NCC[N@H+]2CC=CCC2)ccc1Br ZINC000432363335 563582218 /nfs/dbraw/zinc/58/22/18/563582218.db2.gz ALOCXBDVEZYEJZ-UHFFFAOYSA-N 1 0 382.258 2.619 20 0 GFADRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)c1cc(I)ccc1Cl ZINC000432512687 563586064 /nfs/dbraw/zinc/58/60/64/563586064.db2.gz XPCMJIYFKZIVAC-QPUJVOFHSA-N 1 0 378.641 2.672 20 0 GFADRO Cc1cc(C(=O)N[C@H]2CC[NH2+]C[C@H]2C)nn1-c1ccc(Br)cc1 ZINC000432536399 563586770 /nfs/dbraw/zinc/58/67/70/563586770.db2.gz UUTNJLSTIGLVBZ-ABAIWWIYSA-N 1 0 377.286 2.671 20 0 GFADRO C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@H]2CCc3cc(Br)ccc32)[C@@H](C)C1 ZINC000332265808 563588918 /nfs/dbraw/zinc/58/89/18/563588918.db2.gz OOVJDCTYMYXSIQ-DCGLDWPTSA-N 1 0 396.329 2.533 20 0 GFADRO O=C(Nc1ccc(F)c(Br)c1)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000332262961 563589200 /nfs/dbraw/zinc/58/92/00/563589200.db2.gz FXMUEOMBENKJED-ZDUSSCGKSA-N 1 0 398.276 2.614 20 0 GFADRO CO[C@@H](C)c1nc(CN2CCC[N@H+](C[C@](C)(O)C(F)(F)F)CC2)cs1 ZINC000410409600 563589959 /nfs/dbraw/zinc/58/99/59/563589959.db2.gz XTEMKYHZSVEEGB-WFASDCNBSA-N 1 0 381.464 2.672 20 0 GFADRO CN(C)C(=O)CC[NH+]1CCC(N=c2[nH]c3cc(Cl)cc(Cl)c3o2)CC1 ZINC000432827151 563594432 /nfs/dbraw/zinc/59/44/32/563594432.db2.gz CBKQBGJVAFTWBY-UHFFFAOYSA-N 1 0 385.295 2.911 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000332373631 563595736 /nfs/dbraw/zinc/59/57/36/563595736.db2.gz SQDDPJURGLREPM-CFVMTHIKSA-N 1 0 394.313 2.590 20 0 GFADRO O=C(Nc1c(F)cccc1Br)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000332373264 563595854 /nfs/dbraw/zinc/59/58/54/563595854.db2.gz VNBRHNKLBMKXPG-GFCCVEGCSA-N 1 0 398.276 2.614 20 0 GFADRO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)N1CC[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000410972597 563600519 /nfs/dbraw/zinc/60/05/19/563600519.db2.gz HPGCFZLUGRQJJY-CJNGLKHVSA-N 1 0 384.307 2.504 20 0 GFADRO O=C1CCC[C@@H](C[NH2+]C2CCN(Cc3ccccc3Br)CC2)N1 ZINC000433106173 563602664 /nfs/dbraw/zinc/60/26/64/563602664.db2.gz TWGGKZVNJDVTES-INIZCTEOSA-N 1 0 380.330 2.672 20 0 GFADRO CN(C(=O)Nc1cc(I)ccc1Cl)C1CC([NH3+])C1 ZINC000332506345 563602890 /nfs/dbraw/zinc/60/28/90/563602890.db2.gz YMMIRHKXRGKQGL-UHFFFAOYSA-N 1 0 379.629 2.898 20 0 GFADRO C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)NCC1(C)CC[NH+](C)CC1 ZINC000332586499 563605897 /nfs/dbraw/zinc/60/58/97/563605897.db2.gz LBZOJOGYSFFREC-LBPRGKRZSA-N 1 0 386.323 2.960 20 0 GFADRO COc1ccc(C[N@@H+]2CC[C@H](C(=O)N3CCCC3)C2)c(Br)c1OC ZINC000287544004 563606454 /nfs/dbraw/zinc/60/64/54/563606454.db2.gz WCOKNPHVFAJCPS-AWEZNQCLSA-N 1 0 397.313 2.911 20 0 GFADRO C[C@H]([NH3+])C1CCN(C(=O)N[C@H]2CCN(c3ccc(Br)cc3)C2)CC1 ZINC000332666833 563610732 /nfs/dbraw/zinc/61/07/32/563610732.db2.gz OKTNIRHQIJEEJW-BBRMVZONSA-N 1 0 395.345 2.797 20 0 GFADRO O=C(N[C@@H]1CCc2c1ccc(Cl)c2Cl)c1ncn([C@@H]2CCC[NH2+]C2)n1 ZINC000433412440 563612435 /nfs/dbraw/zinc/61/24/35/563612435.db2.gz UAKKGXJJKLDPSO-QMTHXVAHSA-N 1 0 380.279 2.927 20 0 GFADRO Cc1cc(NC(=O)C(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)c(F)cc1Br ZINC000287700056 563614081 /nfs/dbraw/zinc/61/40/81/563614081.db2.gz IZLDWODWESFZBB-NSHDSACASA-N 1 0 398.276 2.602 20 0 GFADRO CS[C@H]1C[N@H+](CCC(=O)Nc2cccc(Br)c2)C[C@@H]1N(C)C ZINC000411416335 563619022 /nfs/dbraw/zinc/61/90/22/563619022.db2.gz DNPWWZSJMWSBAD-GJZGRUSLSA-N 1 0 386.359 2.755 20 0 GFADRO O=C(NCC[NH2+][C@H]1CCO[C@H](C(F)(F)F)C1)c1ccc(Br)cc1 ZINC000287817791 563619275 /nfs/dbraw/zinc/61/92/75/563619275.db2.gz VASWFFNJRRTZAN-STQMWFEESA-N 1 0 395.219 2.878 20 0 GFADRO Cc1ncc(Br)cc1NC(=O)N1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000333100283 563620871 /nfs/dbraw/zinc/62/08/71/563620871.db2.gz AQWDHXBKPPOEQN-GDBMZVCRSA-N 1 0 397.317 2.903 20 0 GFADRO [NH3+][C@@H]1CCO[C@H](C2CCN(C(=O)Cc3ccccc3Br)CC2)C1 ZINC000333231601 563624571 /nfs/dbraw/zinc/62/45/71/563624571.db2.gz CECBLDKUPFALTM-WBVHZDCISA-N 1 0 381.314 2.737 20 0 GFADRO COC(=O)CC[N@H+](Cc1cccc(Br)c1)Cc1ccnc(N)c1 ZINC000411625513 563627105 /nfs/dbraw/zinc/62/71/05/563627105.db2.gz WTUGOQDLOHYBDE-UHFFFAOYSA-N 1 0 378.270 2.992 20 0 GFADRO COCC[N@H+](CCC(=O)Nc1ccccc1Br)[C@H]1CCO[C@@H]1C ZINC000411656146 563628483 /nfs/dbraw/zinc/62/84/83/563628483.db2.gz PKVWMSNWPUEQFL-CJNGLKHVSA-N 1 0 385.302 2.904 20 0 GFADRO O=C(Nc1nnc(-c2ccc(Cl)cc2F)s1)N1CCC2(CC[NH2+]2)CC1 ZINC000333342003 563628764 /nfs/dbraw/zinc/62/87/64/563628764.db2.gz YHRHZGCMQKEZAA-UHFFFAOYSA-N 1 0 381.864 3.357 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000411671951 563628948 /nfs/dbraw/zinc/62/89/48/563628948.db2.gz MJTCCIPCXCVLKS-CQSZACIVSA-N 1 0 396.329 2.853 20 0 GFADRO COc1cc(OC)c(NC(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)cc1Br ZINC000333364101 563629626 /nfs/dbraw/zinc/62/96/26/563629626.db2.gz TZVIQXRXCKRJNZ-QWRGUYRKSA-N 1 0 384.274 2.540 20 0 GFADRO Cc1csc([C@@H](NCC(=O)NC2CC[NH+](C(C)C)CC2)C(F)(F)F)n1 ZINC000411767137 563633650 /nfs/dbraw/zinc/63/36/50/563633650.db2.gz FAEGSWOLXGCYQU-CQSZACIVSA-N 1 0 378.464 2.634 20 0 GFADRO O=C(NCC[N@@H+]1CCCOCC1)Nc1cc2c(cc1Br)CCC2 ZINC000333517758 563634690 /nfs/dbraw/zinc/63/46/90/563634690.db2.gz GJLRBJRTRPYFMZ-UHFFFAOYSA-N 1 0 382.302 2.782 20 0 GFADRO [NH3+][C@@H]1CCCO[C@H]1C1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1 ZINC000333502126 563634873 /nfs/dbraw/zinc/63/48/73/563634873.db2.gz FNKOCUZCZBVDHR-CJNGLKHVSA-N 1 0 393.336 2.900 20 0 GFADRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)[C@H](c1ccc(Cl)cc1Cl)N1CCOCC1 ZINC000434706816 563635282 /nfs/dbraw/zinc/63/52/82/563635282.db2.gz LTIVXYKCBPFDLF-ZLIFDBKOSA-N 1 0 386.323 2.623 20 0 GFADRO O=C(N[C@H]1CCC[NH2+]C1)N1CCO[C@@H](c2cc(F)c(Cl)cc2Cl)C1 ZINC000333637654 563637333 /nfs/dbraw/zinc/63/73/33/563637333.db2.gz HQAADEGHCJLZIX-ZUZCIYMTSA-N 1 0 376.259 2.967 20 0 GFADRO COC[C@H]([NH2+]Cc1cc2c(cc1Br)OCCCO2)[C@@H]1CCCO1 ZINC000434785275 563638528 /nfs/dbraw/zinc/63/85/28/563638528.db2.gz LZVKXEISQTYEPZ-GJZGRUSLSA-N 1 0 386.286 2.894 20 0 GFADRO COC[C@H]([NH2+]CC(=O)N[C@H](C)c1ccc(Cl)c(Cl)c1)[C@@H]1CCCO1 ZINC000434782038 563638551 /nfs/dbraw/zinc/63/85/51/563638551.db2.gz DWECEOHCJQMJTQ-RLCCDNCMSA-N 1 0 375.296 2.954 20 0 GFADRO CC[NH+](CC)CCSCC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl ZINC000434798437 563638655 /nfs/dbraw/zinc/63/86/55/563638655.db2.gz HZBYBYFMWFGOJX-UHFFFAOYSA-N 1 0 378.947 2.757 20 0 GFADRO O=C(N[C@H](c1cncc(Br)c1)C1CC1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000333677526 563638802 /nfs/dbraw/zinc/63/88/02/563638802.db2.gz ZDAAOGYDHKBLSV-KCXAZCMYSA-N 1 0 379.302 2.689 20 0 GFADRO CN(C)S(=O)(=O)c1ccc(OCC[N@@H+]2CCSC3(CCC3)CC2)cc1 ZINC000411874288 563638951 /nfs/dbraw/zinc/63/89/51/563638951.db2.gz ZPUICWMIGXRRFM-UHFFFAOYSA-N 1 0 384.567 2.677 20 0 GFADRO Clc1cc(Cl)cc(-c2nnc3ccc(N4CC[C@@H]5C[NH2+]C[C@@H]54)nn32)c1 ZINC000333689177 563639163 /nfs/dbraw/zinc/63/91/63/563639163.db2.gz PNWZQPHYAZDRPJ-YGRLFVJLSA-N 1 0 375.263 2.896 20 0 GFADRO [NH3+][C@@H]1CCCO[C@H]1C1CCN(S(=O)(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000333719802 563640083 /nfs/dbraw/zinc/64/00/83/563640083.db2.gz UKEMIIIBIVWBQO-CVEARBPZSA-N 1 0 393.336 2.900 20 0 GFADRO COC(=O)[C@H]1CN(C)CC[N@H+](CC/C=C\c2ccc(Br)cc2)C1 ZINC000411902810 563640483 /nfs/dbraw/zinc/64/04/83/563640483.db2.gz IVTBVQMWYOKFMX-IMMZDGJCSA-N 1 0 381.314 2.889 20 0 GFADRO [NH3+][C@H]1CCO[C@H](C2CCN(S(=O)(=O)Cc3ccc(Cl)c(F)c3)CC2)C1 ZINC000333733810 563640594 /nfs/dbraw/zinc/64/05/94/563640594.db2.gz WOTKBACWVSNRDF-YOEHRIQHSA-N 1 0 390.908 2.527 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)CCC[NH2+]C1(C(=O)N(C)C)CC1 ZINC000411917175 563640860 /nfs/dbraw/zinc/64/08/60/563640860.db2.gz XUFKKUHXDSPCMT-UHFFFAOYSA-N 1 0 396.329 2.995 20 0 GFADRO O=C(NC1CC[NH2+]CC1)N1CCC[C@@H](Nc2cccc(Br)c2)C1 ZINC000333825230 563643038 /nfs/dbraw/zinc/64/30/38/563643038.db2.gz RRLKVSLCBQQGLC-MRXNPFEDSA-N 1 0 381.318 2.787 20 0 GFADRO O=C(N[C@H](c1cncc(Br)c1)C1CC1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000333824003 563643227 /nfs/dbraw/zinc/64/32/27/563643227.db2.gz ROKRPYOUCRLLPX-RDJZCZTQSA-N 1 0 379.302 2.690 20 0 GFADRO C[C@@]1(CNC(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)CCC[NH2+]C1 ZINC000333901726 563645137 /nfs/dbraw/zinc/64/51/37/563645137.db2.gz ZYQYXBHSFGYMNS-QGZVFWFLSA-N 1 0 386.327 2.610 20 0 GFADRO COC(=O)[C@@H]1CSCC[N@H+](C[C@@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000412062283 563645614 /nfs/dbraw/zinc/64/56/14/563645614.db2.gz BGVRNQXMPOZSII-NWDGAFQWSA-N 1 0 394.320 2.571 20 0 GFADRO Cc1cccc(S(=O)(=O)NCC2([NH+](C)C)CCCC2)c1Br ZINC000435226835 563646314 /nfs/dbraw/zinc/64/63/14/563646314.db2.gz PRYBNUSIBZNYIO-UHFFFAOYSA-N 1 0 375.332 2.910 20 0 GFADRO CC(C)[N@H+](C[C@H](O)COc1ccc(Cl)cc1Cl)C[C@H]1CCC(=O)N1 ZINC000412076796 563646425 /nfs/dbraw/zinc/64/64/25/563646425.db2.gz LEOOSCSBDHABFA-KGLIPLIRSA-N 1 0 375.296 2.722 20 0 GFADRO Cc1cc(C(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)nn1-c1ccc(Br)cc1 ZINC000435241434 563646563 /nfs/dbraw/zinc/64/65/63/563646563.db2.gz UJEXBGATFVVMHV-MRXNPFEDSA-N 1 0 389.297 2.910 20 0 GFADRO O=C(c1nn(-c2ccc(F)cc2)cc1Br)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000435241567 563646612 /nfs/dbraw/zinc/64/66/12/563646612.db2.gz GWAXGKVUMMHKGC-CQSZACIVSA-N 1 0 393.260 2.740 20 0 GFADRO COCC[C@@H](Cc1cccc(Br)c1)C(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000435242832 563646973 /nfs/dbraw/zinc/64/69/73/563646973.db2.gz OKRCMJYFEZZACU-MAUKXSAKSA-N 1 0 395.341 2.997 20 0 GFADRO CO[C@@H]1CCN(Cc2nc(-c3cccc(Br)c3)c[nH]2)[C@H](C[NH3+])C1 ZINC000435382220 563648915 /nfs/dbraw/zinc/64/89/15/563648915.db2.gz CFZYWDWYBSVHSJ-LSDHHAIUSA-N 1 0 379.302 2.777 20 0 GFADRO CCOC(=O)COc1c(Br)cc(C)cc1C[NH+]1CCC(C[NH3+])CC1 ZINC000435391908 563648932 /nfs/dbraw/zinc/64/89/32/563648932.db2.gz YMXCFSWLZOHTFE-UHFFFAOYSA-N 1 0 399.329 2.870 20 0 GFADRO CO[C@H]1CCN(Cc2nc(-c3cccc(Br)c3)c[nH]2)[C@@H](C[NH3+])C1 ZINC000435382217 563649064 /nfs/dbraw/zinc/64/90/64/563649064.db2.gz CFZYWDWYBSVHSJ-CABCVRRESA-N 1 0 379.302 2.777 20 0 GFADRO CS[C@H]1CN(C(=O)c2nc(C)sc2Br)C[C@@H]1[NH+]1CCCC1 ZINC000412251623 563651828 /nfs/dbraw/zinc/65/18/28/563651828.db2.gz LLTMRYULLXGJEV-QWRGUYRKSA-N 1 0 390.372 2.866 20 0 GFADRO Cc1cc(Br)cc(S(=O)(=O)N[C@H]2CCC[N@@H+](C(C)C)C2)c1 ZINC000435448478 563652051 /nfs/dbraw/zinc/65/20/51/563652051.db2.gz WSJMWEHOYQMRPE-AWEZNQCLSA-N 1 0 375.332 2.909 20 0 GFADRO Cc1ncsc1CN(C[C@@H]1CC[NH2+]C1)C(=O)CSC[C@H]1CCCCO1 ZINC000435603142 563654244 /nfs/dbraw/zinc/65/42/44/563654244.db2.gz YZMZNLSBPTYEEL-HZPDHXFCSA-N 1 0 383.583 2.692 20 0 GFADRO C[C@]1(CNC(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)OCCc2sccc21 ZINC000412369801 563655770 /nfs/dbraw/zinc/65/57/70/563655770.db2.gz XLUSTXHRSCWVRJ-DNVCBOLYSA-N 1 0 380.579 2.870 20 0 GFADRO Cc1ncsc1CN(CC(=O)NCc1ccc(Cl)s1)C[C@@H]1CC[NH2+]C1 ZINC000435738511 563657789 /nfs/dbraw/zinc/65/77/89/563657789.db2.gz RTLADAFWOWGMFN-CYBMUJFWSA-N 1 0 398.985 2.894 20 0 GFADRO C[C@H]1CCC[N@H+](CCNC(=O)[C@H]2CC(=O)Nc3ccc(Br)cc32)C1 ZINC000435852659 563659313 /nfs/dbraw/zinc/65/93/13/563659313.db2.gz YKVIYCPPEWXCCK-WFASDCNBSA-N 1 0 394.313 2.723 20 0 GFADRO CC(C)[N@@H+]1CCO[C@@H](C(=O)NCc2cccc(Br)c2Cl)C1 ZINC000412489197 563659534 /nfs/dbraw/zinc/65/95/34/563659534.db2.gz MXBNQMWXXSUYLW-CYBMUJFWSA-N 1 0 375.694 2.828 20 0 GFADRO CC1CC[NH+](CCNC(=O)[C@H]2CC(=O)Nc3ccc(Br)cc32)CC1 ZINC000435886431 563660080 /nfs/dbraw/zinc/66/00/80/563660080.db2.gz XHJTZJOZXPODQF-HNNXBMFYSA-N 1 0 394.313 2.723 20 0 GFADRO O=C1[C@@H]2CSCCN2C(=O)N1C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000349198196 563660984 /nfs/dbraw/zinc/66/09/84/563660984.db2.gz CUSWTBTXDNHRLT-INIZCTEOSA-N 1 0 379.913 2.684 20 0 GFADRO CC1CC[NH+]([C@@H](CN2C(=O)[C@@H]3CSCCN3C2=O)c2cccs2)CC1 ZINC000349293357 563661910 /nfs/dbraw/zinc/66/19/10/563661910.db2.gz GMFQVIUPXYXGAV-GJZGRUSLSA-N 1 0 379.551 2.901 20 0 GFADRO C[C@H](C[NH+]1CCOCC1)C(=O)NCc1cc(Cl)cc(Br)c1 ZINC000412620780 563663705 /nfs/dbraw/zinc/66/37/05/563663705.db2.gz GKWLCDXAYKXHLQ-LLVKDONJSA-N 1 0 375.694 2.687 20 0 GFADRO C[C@@H]1OCC[C@H]1[N@H+](CCO)Cc1ccc(I)c(Cl)c1 ZINC000436100439 563664479 /nfs/dbraw/zinc/66/44/79/563664479.db2.gz GAIZTFNNCQHWIP-IINYFYTJSA-N 1 0 395.668 2.916 20 0 GFADRO CCO[C@@H]1C[C@@](CO)([NH2+]Cc2cc(Br)c(O)c(OC)c2)C1(C)C ZINC000436379714 563670009 /nfs/dbraw/zinc/67/00/09/563670009.db2.gz RPQAAFSZBIJWEY-PBHICJAKSA-N 1 0 388.302 2.819 20 0 GFADRO CC[C@H](Cc1ccccc1Br)C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000289175389 563670840 /nfs/dbraw/zinc/67/08/40/563670840.db2.gz HWJBMLYTJKFIER-WBVHZDCISA-N 1 0 394.357 2.524 20 0 GFADRO C[C@@]1(C[C@H]2CCC[N@@H+]2Cc2cc(Br)ccc2F)NC(=O)NC1=O ZINC000289207661 563671487 /nfs/dbraw/zinc/67/14/87/563671487.db2.gz BUQDHZXPDXWCOH-WBMJQRKESA-N 1 0 384.249 2.541 20 0 GFADRO CN(C)CC[N@H+](C)CCCNC(=O)Nc1cc(Br)ccc1F ZINC000436501532 563672536 /nfs/dbraw/zinc/67/25/36/563672536.db2.gz AGOFIFNDUIZCLR-UHFFFAOYSA-N 1 0 375.286 2.593 20 0 GFADRO COc1ccc(CN2CCC(C[NH+]3CCN(C)CC3)CC2)c(Br)c1 ZINC000289380304 563673590 /nfs/dbraw/zinc/67/35/90/563673590.db2.gz CHDSHYOSBYWEAL-UHFFFAOYSA-N 1 0 396.373 2.917 20 0 GFADRO Cn1cc([C@@H](O)C[NH2+]Cc2cc(Br)cc(Br)c2)cn1 ZINC000289526409 563677388 /nfs/dbraw/zinc/67/73/88/563677388.db2.gz BOUPGGVQYOJNKD-ZDUSSCGKSA-N 1 0 389.091 2.768 20 0 GFADRO O=C1NC(=O)C2(CCC([NH2+]C3CC(c4cccc(Br)c4)C3)CC2)N1 ZINC000289583930 563679178 /nfs/dbraw/zinc/67/91/78/563679178.db2.gz KCQMIKWEXZZORU-UHFFFAOYSA-N 1 0 392.297 2.806 20 0 GFADRO C[C@@H](NC(=O)C(=O)N(C)Cc1ccc(Cl)c(Cl)c1)C1=CC[N@H+](C)CC1 ZINC000289611844 563680729 /nfs/dbraw/zinc/68/07/29/563680729.db2.gz LELBPPUXCAKTSF-GFCCVEGCSA-N 1 0 384.307 2.718 20 0 GFADRO O=C(C[NH2+][C@H](CO)C1CCCC1)Nc1c(F)cc(F)cc1Br ZINC000289658157 563682249 /nfs/dbraw/zinc/68/22/49/563682249.db2.gz VVOXORICMSZTNG-CYBMUJFWSA-N 1 0 377.229 2.807 20 0 GFADRO O=C(CCOc1ccc(Cl)cc1Br)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000289668612 563682940 /nfs/dbraw/zinc/68/29/40/563682940.db2.gz JACHCIPRSSOTIT-NEPJUHHUSA-N 1 0 387.705 2.939 20 0 GFADRO C[N@H+](Cc1ccc(Br)o1)C[C@](C)(O)CNC(=O)OC(C)(C)C ZINC000289689958 563683779 /nfs/dbraw/zinc/68/37/79/563683779.db2.gz DUXBLERBBMRCJV-OAHLLOKOSA-N 1 0 377.279 2.750 20 0 GFADRO COCc1nc2n(n1)C[C@H]([NH2+][C@@H](C)Cc1ccc(F)cc1Br)CC2 ZINC000289743246 563684679 /nfs/dbraw/zinc/68/46/79/563684679.db2.gz NJNAHZJGXLUKHH-SMDDNHRTSA-N 1 0 397.292 2.862 20 0 GFADRO CN(C)C(=O)CC[NH+]1CCN(c2nccc3cc(Br)ccc32)CC1 ZINC000413193366 563685170 /nfs/dbraw/zinc/68/51/70/563685170.db2.gz OVBVWHJRRCYPMU-UHFFFAOYSA-N 1 0 391.313 2.598 20 0 GFADRO CC[NH+](CC)CCOc1cc(NS(=O)(=O)CCCCF)ccc1OC ZINC000289799536 563687173 /nfs/dbraw/zinc/68/71/73/563687173.db2.gz QCCYHIRBLCAEQN-UHFFFAOYSA-N 1 0 376.494 2.907 20 0 GFADRO CCC[N@H+](CC)CCNC(=O)NCc1cc(Cl)cc(S(=O)(=O)CC)c1 ZINC000413339834 563690103 /nfs/dbraw/zinc/69/01/03/563690103.db2.gz LFPURYQJTANPFO-UHFFFAOYSA-N 1 0 389.949 2.665 20 0 GFADRO C[NH+](C)[C@@H](CNS(=O)(=O)c1cnc2ccsc2c1)Cc1ccccc1 ZINC000437232261 563691258 /nfs/dbraw/zinc/69/12/58/563691258.db2.gz LIEHDQZYFQDLOA-OAHLLOKOSA-N 1 0 375.519 2.748 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)c(Br)c1 ZINC000437286790 563692488 /nfs/dbraw/zinc/69/24/88/563692488.db2.gz MKXPFZIBOAEBGM-CQSZACIVSA-N 1 0 396.329 2.805 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000360455640 563692558 /nfs/dbraw/zinc/69/25/58/563692558.db2.gz RWSRJGBJFBZYPO-YUELXQCFSA-N 1 0 393.336 2.866 20 0 GFADRO O=C(CN1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1)Nc1ccccc1Br ZINC000360973335 563696045 /nfs/dbraw/zinc/69/60/45/563696045.db2.gz SZKIQIRIZHKTSD-KEYYUXOJSA-N 1 0 378.314 2.804 20 0 GFADRO O=C(COc1ccc(F)cc1Br)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000290092136 563697817 /nfs/dbraw/zinc/69/78/17/563697817.db2.gz JJSXTUFJHZSMHI-CYBMUJFWSA-N 1 0 385.277 2.815 20 0 GFADRO C[NH+](C)C1(CNC(=O)N[C@@H]2C[C@H]2c2ccc(Br)cc2)CCOCC1 ZINC000437716452 563698887 /nfs/dbraw/zinc/69/88/87/563698887.db2.gz MDDQYFNQRWBUIK-JKSUJKDBSA-N 1 0 396.329 2.715 20 0 GFADRO Cc1cccc(C(=O)N(C)[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)c1Br ZINC000362130016 563703362 /nfs/dbraw/zinc/70/33/62/563703362.db2.gz MECSWBZDOXPNCD-INIZCTEOSA-N 1 0 394.357 2.998 20 0 GFADRO Cc1c(Br)cccc1C(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000362065375 563703838 /nfs/dbraw/zinc/70/38/38/563703838.db2.gz KOCDQKGVQHWFEY-KBXCAEBGSA-N 1 0 394.357 2.856 20 0 GFADRO CC[C@H](C(=O)N[C@@](C)(CC(=O)OC)c1ccc(Br)cc1)[NH+](C)C ZINC000413746280 563705010 /nfs/dbraw/zinc/70/50/10/563705010.db2.gz KAZTXQQBJOOEQI-PBHICJAKSA-N 1 0 385.302 2.684 20 0 GFADRO CS(=O)(=O)N[C@H]1CCC[C@H]1C[NH2+]C1CCN(c2ccc(Cl)cc2)CC1 ZINC000362303121 563705562 /nfs/dbraw/zinc/70/55/62/563705562.db2.gz ITSPYCYMOGFEGB-KSSFIOAISA-N 1 0 385.961 2.616 20 0 GFADRO O=C(N[C@@H](CO)C[NH+]1CCCCC1)C1(c2cc(F)cc(Br)c2)CC1 ZINC000413799776 563705793 /nfs/dbraw/zinc/70/57/93/563705793.db2.gz OSPYRMFTTRPXIN-MRXNPFEDSA-N 1 0 399.304 2.583 20 0 GFADRO O[C@H](COc1cc(F)cc(Br)c1)C[N@@H+]1CCC[C@H](n2cccn2)C1 ZINC000438834689 563711778 /nfs/dbraw/zinc/71/17/78/563711778.db2.gz ATWAESFCMXKHMO-HOTGVXAUSA-N 1 0 398.276 2.862 20 0 GFADRO OCC[C@@H]1CCCC[N@@H+]1C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000438846944 563712354 /nfs/dbraw/zinc/71/23/54/563712354.db2.gz BIELGBGZYPWYBM-GJZGRUSLSA-N 1 0 376.266 2.565 20 0 GFADRO O=C(NCc1nncn1C1CC1)C1CC[NH+](Cc2ccc(Cl)s2)CC1 ZINC000363175539 563716762 /nfs/dbraw/zinc/71/67/62/563716762.db2.gz WIAAZKFXMQJYBT-UHFFFAOYSA-N 1 0 379.917 2.856 20 0 GFADRO Cc1ccn2cc(C[NH2+][C@@H](C)Cn3cc(Br)ccc3=O)nc2c1 ZINC000414066157 563717230 /nfs/dbraw/zinc/71/72/30/563717230.db2.gz GSXISUZOWBAOGC-ZDUSSCGKSA-N 1 0 375.270 2.745 20 0 GFADRO CCS(=O)(=O)N1CC(C[NH2+][C@H]2CCCc3c(Br)cccc32)C1 ZINC000439129526 563717486 /nfs/dbraw/zinc/71/74/86/563717486.db2.gz CIZWSALIWOZQMF-INIZCTEOSA-N 1 0 387.343 2.698 20 0 GFADRO CC(C)n1cc2c(n1)C[C@H]([NH2+][C@H](C)Cn1cc(Br)ccc1=O)CC2 ZINC000414095398 563719009 /nfs/dbraw/zinc/71/90/09/563719009.db2.gz PJLZJYCYDSVGKL-CZUORRHYSA-N 1 0 393.329 2.924 20 0 GFADRO C[C@H]([NH2+]CCc1ccc(S(=O)(=O)N2CCCCC2)s1)c1ccn(C)n1 ZINC000414119977 563719728 /nfs/dbraw/zinc/71/97/28/563719728.db2.gz XCTLUFPHJVOSPB-AWEZNQCLSA-N 1 0 382.555 2.550 20 0 GFADRO O=S(=O)(N[C@@H]1CC[N@@H+](C2CCCC2)C1)c1ccc(F)c(Br)c1 ZINC000439229238 563720091 /nfs/dbraw/zinc/72/00/91/563720091.db2.gz LDIDNALTPGTELN-LLVKDONJSA-N 1 0 391.306 2.883 20 0 GFADRO C[C@@H](C(=O)Nc1cccc(Br)c1)N1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000363364193 563720370 /nfs/dbraw/zinc/72/03/70/563720370.db2.gz MBOWQECBBDXJOE-XJKSGUPXSA-N 1 0 398.370 2.899 20 0 GFADRO COC(=O)CC1([NH2+]CCSc2ccc(Cl)cc2)CCS(=O)(=O)CC1 ZINC000439284045 563721239 /nfs/dbraw/zinc/72/12/39/563721239.db2.gz YIPPRKZFJZANFC-UHFFFAOYSA-N 1 0 391.942 2.532 20 0 GFADRO O[C@@H](COc1cc(F)cc(Br)c1)C[N@@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000439431077 563723661 /nfs/dbraw/zinc/72/36/61/563723661.db2.gz LHQRBRGGXIIJAE-SWLSCSKDSA-N 1 0 398.276 2.931 20 0 GFADRO C[C@@H]1[N@H+](C[C@H](O)COc2cc(F)cc(Br)c2)CCOC1(C)C ZINC000439422779 563723904 /nfs/dbraw/zinc/72/39/04/563723904.db2.gz NLKPZTQVURYHIY-FZMZJTMJSA-N 1 0 376.266 2.827 20 0 GFADRO CC[C@H](C)[N@H+](C)CCNC(=O)N1CCC(n2cc(Br)cn2)CC1 ZINC000363513202 563724364 /nfs/dbraw/zinc/72/43/64/563724364.db2.gz ZIJWMYOATUUNKM-ZDUSSCGKSA-N 1 0 386.338 2.722 20 0 GFADRO C[C@@]1(CCCO)CCC[N@@H+]1C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000439434931 563724624 /nfs/dbraw/zinc/72/46/24/563724624.db2.gz FXEADTZJHUYQCC-WBVHZDCISA-N 1 0 390.293 2.955 20 0 GFADRO COC1([C@H](C)[NH2+][C@H](C)c2ccc(Br)c(S(N)(=O)=O)c2)CCC1 ZINC000414297807 563725375 /nfs/dbraw/zinc/72/53/75/563725375.db2.gz GRIYDVAGIMCJSR-MNOVXSKESA-N 1 0 391.331 2.705 20 0 GFADRO C[C@@H](c1cnn(C)c1)[N@H+](C)C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000439448363 563725547 /nfs/dbraw/zinc/72/55/47/563725547.db2.gz GSACDSMCWSBWQT-NHYWBVRUSA-N 1 0 386.265 2.754 20 0 GFADRO CC[N@@H+]1C[C@H](C)N(C[C@@H](O)COc2cc(F)cc(Br)c2)C[C@@H]1C ZINC000439461835 563726242 /nfs/dbraw/zinc/72/62/42/563726242.db2.gz MMEJPLBLDJFVSZ-HEHGZKQESA-N 1 0 389.309 2.742 20 0 GFADRO Brc1cncc(Br)c1C[NH2+]CCN1CCSCC1 ZINC000290949801 563727082 /nfs/dbraw/zinc/72/70/82/563727082.db2.gz UYIALVYEUWQAEK-UHFFFAOYSA-N 1 0 395.164 2.745 20 0 GFADRO CCS(=O)(=O)CCC[NH2+][C@@H](C)c1ccc(F)c(I)c1 ZINC000414334938 563727605 /nfs/dbraw/zinc/72/76/05/563727605.db2.gz GRJBOLGOSXTKEA-JTQLQIEISA-N 1 0 399.269 2.906 20 0 GFADRO C[C@H]1C[C@H](NC(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)c2ccsc2S1(=O)=O ZINC000291000222 563729510 /nfs/dbraw/zinc/72/95/10/563729510.db2.gz LEESNCOOPOTKHH-XFMPKHEZSA-N 1 0 385.555 2.527 20 0 GFADRO CC1([NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)Cc2ccccc2C1 ZINC000414369548 563730141 /nfs/dbraw/zinc/73/01/41/563730141.db2.gz UTKXPOQETDUXPS-UHFFFAOYSA-N 1 0 395.322 2.744 20 0 GFADRO COC(=O)[C@]12CCC[C@H]1C[N@H+](Cc1nnc(-c3ccc(Br)o3)o1)C2 ZINC000363686081 563731063 /nfs/dbraw/zinc/73/10/63/563731063.db2.gz CUPKVJMJYSTMHD-QFYYESIMSA-N 1 0 396.241 2.867 20 0 GFADRO C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)Nc2cc(Cl)c(Cl)cc2F)C1 ZINC000439752268 563731486 /nfs/dbraw/zinc/73/14/86/563731486.db2.gz TULQZTHCKMPAQU-SNVBAGLBSA-N 1 0 376.259 2.919 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+]CC2Cc3ccccc3C2)cc1Br ZINC000414394053 563733116 /nfs/dbraw/zinc/73/31/16/563733116.db2.gz OTLXQBQGZHXDGE-UHFFFAOYSA-N 1 0 395.322 2.601 20 0 GFADRO CN1CCN(S(=O)(=O)c2ccc(F)c(Br)c2)c2c[nH+]ccc21 ZINC000439889558 563733414 /nfs/dbraw/zinc/73/34/14/563733414.db2.gz VTWQALWQBBUMBZ-UHFFFAOYSA-N 1 0 386.246 2.628 20 0 GFADRO COC(=O)c1ccc(S(=O)(=O)N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)c(Cl)c1 ZINC000440100488 563736315 /nfs/dbraw/zinc/73/63/15/563736315.db2.gz RPOQSZXEARSYFN-CHWSQXEVSA-N 1 0 388.917 2.525 20 0 GFADRO Cc1cc(Br)cc(C)c1S(=O)(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000440350544 563739697 /nfs/dbraw/zinc/73/96/97/563739697.db2.gz PNRLESQSWAZOBM-CHWSQXEVSA-N 1 0 375.332 2.732 20 0 GFADRO COc1ccc(Br)c(S(=O)(=O)NCc2ccc([C@@H](C)[NH3+])cc2)c1 ZINC000440416475 563741390 /nfs/dbraw/zinc/74/13/90/563741390.db2.gz WGRYDJXLBPYJDY-LLVKDONJSA-N 1 0 399.310 2.956 20 0 GFADRO O=S(=O)(c1sccc1Cl)N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000414465711 563741936 /nfs/dbraw/zinc/74/19/36/563741936.db2.gz SMTCBKXBUBJTCJ-CYBMUJFWSA-N 1 0 378.947 2.667 20 0 GFADRO Cc1c(S(=O)(=O)N2CCC[C@@H](C)[C@H]2C[NH3+])cnn1-c1ccc(Cl)cc1 ZINC000440441750 563742104 /nfs/dbraw/zinc/74/21/04/563742104.db2.gz OMIPLFUIKJMNON-MLGOLLRUSA-N 1 0 382.917 2.582 20 0 GFADRO Cc1cc(Br)cc(C)c1S(=O)(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000440450733 563742137 /nfs/dbraw/zinc/74/21/37/563742137.db2.gz YXWAXNKCIFFWPJ-STQMWFEESA-N 1 0 375.332 2.814 20 0 GFADRO O=C(NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cc(Br)cs1 ZINC000440506798 563743965 /nfs/dbraw/zinc/74/39/65/563743965.db2.gz FDAKWMQMZKLWMP-QGZVFWFLSA-N 1 0 395.322 2.877 20 0 GFADRO O=C(NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccccc1Br ZINC000440509077 563744022 /nfs/dbraw/zinc/74/40/22/563744022.db2.gz CWVQHHDRSVXJHX-IBGZPJMESA-N 1 0 389.293 2.816 20 0 GFADRO COC(=O)[C@H]1CN(CC2=Cc3cc(Cl)cc(Cl)c3OC2)CC[N@H+](C)C1 ZINC000414495941 563744631 /nfs/dbraw/zinc/74/46/31/563744631.db2.gz XZFZMRBFBCSFCB-CQSZACIVSA-N 1 0 385.291 2.806 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]C[C@@H]1C[C@H](C)O[C@@H]1C ZINC000414508990 563745037 /nfs/dbraw/zinc/74/50/37/563745037.db2.gz CCQKJVKUFQASOI-CRWXNKLISA-N 1 0 399.329 2.866 20 0 GFADRO O=C(N[C@H]1CCC[NH2+]CC1)[C@@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1 ZINC000364166002 563745085 /nfs/dbraw/zinc/74/50/85/563745085.db2.gz DHODEDOWJIHARA-BBRMVZONSA-N 1 0 384.307 2.856 20 0 GFADRO O=C(N[C@H]1CCC[NH2+]CC1)C1(c2ccc(Br)cc2)CCOCC1 ZINC000364179047 563745330 /nfs/dbraw/zinc/74/53/30/563745330.db2.gz TWTHBRUHHDCFJD-INIZCTEOSA-N 1 0 381.314 2.756 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+][C@@H](C)C(=O)NC(C)C ZINC000414541372 563745773 /nfs/dbraw/zinc/74/57/73/563745773.db2.gz IXIGAJAEYSMCPG-ZDUSSCGKSA-N 1 0 379.302 2.946 20 0 GFADRO COc1cc(Br)ccc1C[NH2+]CC1(CS(C)(=O)=O)CCC1 ZINC000414550330 563745816 /nfs/dbraw/zinc/74/58/16/563745816.db2.gz CYOAHPFLDFQNQA-UHFFFAOYSA-N 1 0 376.316 2.762 20 0 GFADRO C[N@@H+]1CCN(CCNc2ccnc3ccc(Br)cc32)CC1(C)C ZINC000440651840 563746184 /nfs/dbraw/zinc/74/61/84/563746184.db2.gz LJSJFQACMVJBFY-UHFFFAOYSA-N 1 0 377.330 2.857 20 0 GFADRO CCOc1c(Br)cc(C[NH2+][C@@H](CO)[C@@H]2CCCOC2)cc1OC ZINC000414540592 563746206 /nfs/dbraw/zinc/74/62/06/563746206.db2.gz BXOSADBVOCMKBY-HIFRSBDPSA-N 1 0 388.302 2.734 20 0 GFADRO CC(C)(CN1CCOCC1)[NH2+]Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000414569680 563746773 /nfs/dbraw/zinc/74/67/73/563746773.db2.gz ZMZUPJIVLPEVNL-UHFFFAOYSA-N 1 0 393.329 2.835 20 0 GFADRO COc1cc(C(=O)N2CC[C@]3(CCC[C@@H]3[NH3+])C2)cc(OC)c1Br ZINC000364255256 563747418 /nfs/dbraw/zinc/74/74/18/563747418.db2.gz IXPUUFSTTKPCEG-WMLDXEAASA-N 1 0 383.286 2.810 20 0 GFADRO COC(=O)[C@H]1CSCC[N@H+](Cc2c(Cl)cccc2N2CCOCC2)C1 ZINC000414583202 563747518 /nfs/dbraw/zinc/74/75/18/563747518.db2.gz LMRBJTQHSJNIBK-CQSZACIVSA-N 1 0 384.929 2.515 20 0 GFADRO Cc1cc(F)c(Br)cc1S(=O)(=O)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000440736183 563748854 /nfs/dbraw/zinc/74/88/54/563748854.db2.gz PKCHZMYJHNGHIK-MNOVXSKESA-N 1 0 379.295 2.563 20 0 GFADRO O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)Nc1cc(Cl)ccc1Cl ZINC000414657194 563749341 /nfs/dbraw/zinc/74/93/41/563749341.db2.gz GWYXUWHTBIZWTH-GFCCVEGCSA-N 1 0 385.217 2.951 20 0 GFADRO C[C@@H]1CN(S(=O)(=O)c2cc(Cl)c(Br)cc2F)CC[C@@H]1[NH3+] ZINC000440758814 563749630 /nfs/dbraw/zinc/74/96/30/563749630.db2.gz WHHBLVPMHWGMJG-HQJQHLMTSA-N 1 0 385.686 2.599 20 0 GFADRO C[NH2+]CC1CCN(S(=O)(=O)c2cc(Cl)ccc2Br)CC1 ZINC000440759194 563749642 /nfs/dbraw/zinc/74/96/42/563749642.db2.gz WWLRZAJOWKVGSE-UHFFFAOYSA-N 1 0 381.723 2.723 20 0 GFADRO CCCN([C@H]1CC[NH2+]C1)S(=O)(=O)c1cc(Cl)ccc1Br ZINC000440745391 563749649 /nfs/dbraw/zinc/74/96/49/563749649.db2.gz HVAZVTZFQLNXHJ-NSHDSACASA-N 1 0 381.723 2.865 20 0 GFADRO O=S(=O)(c1cc(Cl)c(Br)cc1F)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000440762601 563749743 /nfs/dbraw/zinc/74/97/43/563749743.db2.gz RHKDXLZLWYREFG-SECBINFHSA-N 1 0 397.697 2.757 20 0 GFADRO C[C@@H]1CCCN(S(=O)(=O)c2cccc(Cl)c2Br)[C@H]1C[NH3+] ZINC000440754438 563749806 /nfs/dbraw/zinc/74/98/06/563749806.db2.gz NVNVCQTWTMFULG-KOLCDFICSA-N 1 0 381.723 2.850 20 0 GFADRO Cc1c(S(=O)(=O)NC[C@@]2(C)CCC[NH2+]C2)cnn1-c1ccc(Cl)cc1 ZINC000440830956 563750938 /nfs/dbraw/zinc/75/09/38/563750938.db2.gz DUKQVXHPSOCRNL-KRWDZBQOSA-N 1 0 382.917 2.502 20 0 GFADRO O=S(=O)(c1cc(C(F)(F)F)ccc1F)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000440824574 563750955 /nfs/dbraw/zinc/75/09/55/563750955.db2.gz HNRZGKXXHZCWGV-AWEZNQCLSA-N 1 0 380.407 2.997 20 0 GFADRO CC[NH2+]Cc1ccccc1NC(=O)C(=O)NCc1cc(Br)cs1 ZINC000414732171 563751029 /nfs/dbraw/zinc/75/10/29/563751029.db2.gz HYUIWIMIUNQPMV-UHFFFAOYSA-N 1 0 396.310 2.875 20 0 GFADRO O=S(=O)(c1cc(F)ccc1Br)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000440833637 563751226 /nfs/dbraw/zinc/75/12/26/563751226.db2.gz MIPLPBQSBWEQCJ-AWEZNQCLSA-N 1 0 391.306 2.741 20 0 GFADRO CC1(CNS(=O)(=O)c2cc(Br)sc2Cl)CC[NH2+]CC1 ZINC000440839011 563751883 /nfs/dbraw/zinc/75/18/83/563751883.db2.gz YJWIWMNHMANUTQ-UHFFFAOYSA-N 1 0 387.752 2.832 20 0 GFADRO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NS(=O)(=O)c2ccc(Cl)s2)cc1 ZINC000440860972 563752434 /nfs/dbraw/zinc/75/24/34/563752434.db2.gz HBUPOIJMVYSFRY-KBPBESRZSA-N 1 0 386.926 2.834 20 0 GFADRO COCC[NH2+]CCNCc1cc(Br)cc(Br)c1OC ZINC000414866750 563753543 /nfs/dbraw/zinc/75/35/43/563753543.db2.gz AWTCHOHSRCVQKF-UHFFFAOYSA-N 1 0 396.123 2.546 20 0 GFADRO O=C(C[C@H]1CCC[NH2+]CC1)Nc1ncn(Cc2cccc(Br)c2)n1 ZINC000364463109 563753607 /nfs/dbraw/zinc/75/36/07/563753607.db2.gz DQDHNMJYHCDPOO-ZDUSSCGKSA-N 1 0 392.301 2.807 20 0 GFADRO CCOc1c(Br)cc(CN2CC[C@H](n3cncn3)C2)cc1OC ZINC000364511948 563755214 /nfs/dbraw/zinc/75/52/14/563755214.db2.gz RFMXJACDNNBIDA-ZDUSSCGKSA-N 1 0 381.274 2.895 20 0 GFADRO O=C1[C@H]([NH2+]Cc2cnc3cnccn23)CCN1c1ccc(Cl)cc1Cl ZINC000364524860 563756153 /nfs/dbraw/zinc/75/61/53/563756153.db2.gz COIWIAYEVHWXIO-CQSZACIVSA-N 1 0 376.247 2.931 20 0 GFADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3nc(C4CC4)ncc3Br)CC[C@@H]21 ZINC000291732326 563756650 /nfs/dbraw/zinc/75/66/50/563756650.db2.gz JUAQUOQRRVHKJZ-OCCSQVGLSA-N 1 0 379.302 2.673 20 0 GFADRO COc1cc(Br)cc(C)c1NC(=O)N1CC[C@H](OC)C[C@H]1C[NH3+] ZINC000414997759 563756840 /nfs/dbraw/zinc/75/68/40/563756840.db2.gz ZPKDJXJLZZLUST-STQMWFEESA-N 1 0 386.290 2.736 20 0 GFADRO C[C@H](CC(=O)Nc1ccc(Br)cc1)N[C@@H]1C[NH2+]CCC1(F)F ZINC000415009794 563756958 /nfs/dbraw/zinc/75/69/58/563756958.db2.gz XQDZUFZQDYEBPU-ZWNOBZJWSA-N 1 0 376.245 2.753 20 0 GFADRO COc1cc(Br)cc(C)c1NC(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000414997900 563757238 /nfs/dbraw/zinc/75/72/38/563757238.db2.gz ZZNRWCGHNBXHJQ-LLVKDONJSA-N 1 0 378.217 2.885 20 0 GFADRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1nc(C2CC2)ncc1Br ZINC000291773612 563758211 /nfs/dbraw/zinc/75/82/11/563758211.db2.gz NXZYEOFEIMBLED-VXGBXAGGSA-N 1 0 381.318 2.967 20 0 GFADRO CC(C)(O)C[N@@H+]1CCCN(C(=O)Cc2csc(-c3cccs3)n2)CC1 ZINC000364593625 563758442 /nfs/dbraw/zinc/75/84/42/563758442.db2.gz XHUGZAAQCLZFGN-UHFFFAOYSA-N 1 0 379.551 2.719 20 0 GFADRO COc1ccc(I)c(NC(=O)N2C[C@@H](C)[NH2+]C[C@@H]2C)c1 ZINC000415075112 563758660 /nfs/dbraw/zinc/75/86/60/563758660.db2.gz QBRNWHKKHLADMJ-ZJUUUORDSA-N 1 0 389.237 2.514 20 0 GFADRO COc1ccc(I)c(NC(=O)N2CC[C@@H]([C@H](C)[NH3+])C2)c1 ZINC000415075531 563758761 /nfs/dbraw/zinc/75/87/61/563758761.db2.gz QRYVMZLEYNRMBN-VHSXEESVSA-N 1 0 389.237 2.501 20 0 GFADRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)Nc1cc(F)c(I)c(F)c1 ZINC000415118880 563759482 /nfs/dbraw/zinc/75/94/82/563759482.db2.gz KBPGZQFGZYYXSZ-CPCISQLKSA-N 1 0 395.191 2.689 20 0 GFADRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)Nc1cc(F)c(I)c(F)c1 ZINC000415118883 563759704 /nfs/dbraw/zinc/75/97/04/563759704.db2.gz KBPGZQFGZYYXSZ-HQJQHLMTSA-N 1 0 395.191 2.689 20 0 GFADRO CN(C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1)C(=O)CSCc1cscn1 ZINC000364676281 563760818 /nfs/dbraw/zinc/76/08/18/563760818.db2.gz VSKBTJHBWVPVKT-YJBOKZPZSA-N 1 0 376.551 2.923 20 0 GFADRO [NH3+]CC1CCN(C(=O)Nc2cc(Br)ccc2-n2cccn2)CC1 ZINC000415153782 563761172 /nfs/dbraw/zinc/76/11/72/563761172.db2.gz CZNLKPNEXMBJQF-UHFFFAOYSA-N 1 0 378.274 2.837 20 0 GFADRO CCSc1ccc(Cl)cc1NC(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000415153072 563761238 /nfs/dbraw/zinc/76/12/38/563761238.db2.gz WBQXSRCALFUYCM-LBPRGKRZSA-N 1 0 384.933 2.771 20 0 GFADRO C[C@@H]1CN(S(=O)(=O)c2ccc(Cl)nc2Cl)CC[N@@H+](C2CCC2)C1 ZINC000291870415 563762054 /nfs/dbraw/zinc/76/20/54/563762054.db2.gz JSNAPNHXZMLMBG-NSHDSACASA-N 1 0 378.325 2.883 20 0 GFADRO Cc1ccc(SCC(F)(F)F)c(NC(=O)NC[C@H]2C[NH2+]CCN2C)c1 ZINC000415195408 563762435 /nfs/dbraw/zinc/76/24/35/563762435.db2.gz OGEYYCWAPBPLQY-GFCCVEGCSA-N 1 0 376.448 2.675 20 0 GFADRO C[C@@H](C[NH3+])CNC(=O)c1cnn(-c2ncc(Cl)cc2Cl)c1C(F)(F)F ZINC000441621773 563762884 /nfs/dbraw/zinc/76/28/84/563762884.db2.gz COWWIJRWKBOKRW-ZETCQYMHSA-N 1 0 396.200 2.918 20 0 GFADRO CCCN(CC[NH+](CC)CC)C(=O)C(=O)Nc1cc(C)cnc1Br ZINC000291879849 563762980 /nfs/dbraw/zinc/76/29/80/563762980.db2.gz VQGVWNBBDZTTTD-UHFFFAOYSA-N 1 0 399.333 2.671 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)Nc2ccc(F)cc2I)C1 ZINC000415248019 563763514 /nfs/dbraw/zinc/76/35/14/563763514.db2.gz FXHKUKPXGLMVGF-RKDXNWHRSA-N 1 0 377.201 2.631 20 0 GFADRO CC(C)[C@@H]([NH3+])CNC(=O)Nc1cc(F)c(F)cc1I ZINC000415242857 563763648 /nfs/dbraw/zinc/76/36/48/563763648.db2.gz UVTDZTGQHPSJMZ-JTQLQIEISA-N 1 0 383.180 2.674 20 0 GFADRO O=C(Nc1ccc(F)cc1I)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000415246185 563763700 /nfs/dbraw/zinc/76/37/00/563763700.db2.gz BTEOIHFWQYQMFK-LLVKDONJSA-N 1 0 389.212 2.789 20 0 GFADRO O=C(Nc1ccccc1I)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000364792701 563763922 /nfs/dbraw/zinc/76/39/22/563763922.db2.gz OESBEHDTDXEIPM-LBPRGKRZSA-N 1 0 385.249 2.993 20 0 GFADRO O=C(NCC[C@H]1CCC[NH2+]C1)Nc1ccc(F)cc1I ZINC000415257313 563764125 /nfs/dbraw/zinc/76/41/25/563764125.db2.gz YWGRWWHGHCRYLR-SNVBAGLBSA-N 1 0 391.228 2.942 20 0 GFADRO [NH3+]CC[C@H](NC(=O)Nc1ccc(F)cc1I)C(F)F ZINC000415251418 563764225 /nfs/dbraw/zinc/76/42/25/563764225.db2.gz NCRLTLNBAMWWMC-VIFPVBQESA-N 1 0 387.143 2.534 20 0 GFADRO CN(CC[NH3+])C(=O)Nc1ccc(Br)cc1-c1nc(C2CC2)no1 ZINC000415272577 563764774 /nfs/dbraw/zinc/76/47/74/563764774.db2.gz RHRBGRVCYSGVBP-UHFFFAOYSA-N 1 0 380.246 2.799 20 0 GFADRO C[NH+](C)CCOC1CCN(C(=O)c2cc(F)c(F)cc2Br)CC1 ZINC000441828594 563764788 /nfs/dbraw/zinc/76/47/88/563764788.db2.gz VDYABBMMWYRCPU-UHFFFAOYSA-N 1 0 391.256 2.910 20 0 GFADRO [NH3+]C1(CNC(=O)C(=O)Nc2cc(Cl)cc(Br)c2)CCCCC1 ZINC000415275882 563764874 /nfs/dbraw/zinc/76/48/74/563764874.db2.gz BYFQPJRWIVXFLB-UHFFFAOYSA-N 1 0 388.693 2.819 20 0 GFADRO C[C@@H]([NH2+][C@@H]1CCN(CCN2CCOCC2)C1)c1cc(Br)cs1 ZINC000364802535 563764801 /nfs/dbraw/zinc/76/48/01/563764801.db2.gz FOBBUQPGJGVWBT-UKRRQHHQSA-N 1 0 388.375 2.568 20 0 GFADRO CC[C@@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1ccc(C(=O)OC)c(Cl)c1 ZINC000441968347 563766335 /nfs/dbraw/zinc/76/63/35/563766335.db2.gz KIPKRSDHCLDSMQ-CYBMUJFWSA-N 1 0 388.917 2.669 20 0 GFADRO COC(=O)c1cc(Br)ccc1NC(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000415322140 563766900 /nfs/dbraw/zinc/76/69/00/563766900.db2.gz BJLXCFABMUUICA-ZWNOBZJWSA-N 1 0 384.274 2.875 20 0 GFADRO COC(=O)c1cc(Br)ccc1NC(=O)N1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000415334364 563767396 /nfs/dbraw/zinc/76/73/96/563767396.db2.gz PSZGEDXRCRBJCQ-PWSUYJOCSA-N 1 0 384.274 2.827 20 0 GFADRO COC(=O)c1cc(Br)ccc1NC(=O)N1CC[C@H](C)C[C@@H]1C[NH3+] ZINC000415334362 563767434 /nfs/dbraw/zinc/76/74/34/563767434.db2.gz PSZGEDXRCRBJCQ-CMPLNLGQSA-N 1 0 384.274 2.827 20 0 GFADRO C[C@H](CO)[N@@H+]1CCCN(C(=O)c2csc(-c3ccccc3Cl)n2)CC1 ZINC000364933480 563769471 /nfs/dbraw/zinc/76/94/71/563769471.db2.gz ILPMMUJCNLQUCE-CYBMUJFWSA-N 1 0 379.913 2.992 20 0 GFADRO O=C(Nc1cccc(F)c1I)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000415351974 563769595 /nfs/dbraw/zinc/76/95/95/563769595.db2.gz ALOIXQWBKPQLEB-ZJUUUORDSA-N 1 0 389.212 2.789 20 0 GFADRO C[C@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+]CCn1cc(Br)cn1 ZINC000364958430 563770336 /nfs/dbraw/zinc/77/03/36/563770336.db2.gz ZGMTWBHOFRRPMU-WMLDXEAASA-N 1 0 378.318 2.541 20 0 GFADRO O=C(Nc1cccc(F)c1I)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000415364242 563770710 /nfs/dbraw/zinc/77/07/10/563770710.db2.gz RSPQIEWJXKLDLU-ONGXEEELSA-N 1 0 389.212 2.646 20 0 GFADRO COCC1(CNC(=O)Nc2cc(F)c(Br)cc2F)CC[NH2+]CC1 ZINC000415360059 563770821 /nfs/dbraw/zinc/77/08/21/563770821.db2.gz SHYSZFOZBKDYNJ-UHFFFAOYSA-N 1 0 392.244 2.865 20 0 GFADRO CCOc1c(Cl)cc(NC(=O)C(=O)N2CCC([C@H](C)[NH3+])CC2)cc1Cl ZINC000415379422 563771256 /nfs/dbraw/zinc/77/12/56/563771256.db2.gz DXPYJYLTICQESQ-JTQLQIEISA-N 1 0 388.295 2.916 20 0 GFADRO Cc1cc(Br)ccc1CC(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000364994482 563771252 /nfs/dbraw/zinc/77/12/52/563771252.db2.gz LQESMDKMOIDUME-KRWDZBQOSA-N 1 0 394.357 2.585 20 0 GFADRO Cc1ccc(Br)c(NC(=O)N2C[C@@H](C[NH3+])C3(C2)CCOCC3)c1 ZINC000415369685 563771291 /nfs/dbraw/zinc/77/12/91/563771291.db2.gz PENQOIQSYRDZGD-CYBMUJFWSA-N 1 0 382.302 2.977 20 0 GFADRO Cc1cc(F)c(NC(=O)N[C@@H]2CCC[C@H]2C[NH3+])c(I)c1 ZINC000415385488 563771812 /nfs/dbraw/zinc/77/18/12/563771812.db2.gz FCXYTURABCMOHP-JOYOIKCWSA-N 1 0 391.228 2.988 20 0 GFADRO C[C@H](O)[C@@H]1CC[N@H+](CC(=O)N2CCc3sccc3[C@@H]2c2cccs2)C1 ZINC000365023533 563772157 /nfs/dbraw/zinc/77/21/57/563772157.db2.gz ZSCHHYHLLIDDHU-IQUTYRLHSA-N 1 0 376.547 2.986 20 0 GFADRO C[C@H](CCCC[NH3+])NC(=O)[C@H]1CCCN1C(=O)c1ccc(Br)cc1 ZINC000292078365 563772599 /nfs/dbraw/zinc/77/25/99/563772599.db2.gz LXGPLPDZGFJWOW-CZUORRHYSA-N 1 0 396.329 2.687 20 0 GFADRO Cc1cc(F)c(NC(=O)N2CC[C@H]([NH3+])[C@H]2C)c(I)c1 ZINC000415407890 563773040 /nfs/dbraw/zinc/77/30/40/563773040.db2.gz QZXBPSBZQFSCEX-KCJUWKMLSA-N 1 0 377.201 2.692 20 0 GFADRO C[NH2+]C[C@H]1CCN(C(=O)C(=O)Nc2cccc(Cl)c2SCC(F)F)C1 ZINC000415403366 563773060 /nfs/dbraw/zinc/77/30/60/563773060.db2.gz ZWFDKELHPUARSF-SNVBAGLBSA-N 1 0 391.871 2.704 20 0 GFADRO COC(=O)c1cc(NC(=O)N[C@H]2CCCC[C@H]2C[NH3+])ccc1Br ZINC000415404585 563773245 /nfs/dbraw/zinc/77/32/45/563773245.db2.gz LSHUSAMCPMECMV-HZMBPMFUSA-N 1 0 384.274 2.875 20 0 GFADRO CC(C)N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H](C)CCCC[NH3+])c1 ZINC000292102782 563774064 /nfs/dbraw/zinc/77/40/64/563774064.db2.gz OPYVBLHAALVLKS-ZDUSSCGKSA-N 1 0 389.949 2.616 20 0 GFADRO COc1ccc(S(=O)(=O)NC2CC[NH+](Cc3cccs3)CC2)cc1F ZINC000365104744 563774120 /nfs/dbraw/zinc/77/41/20/563774120.db2.gz KGVLJGXEDCZPEE-UHFFFAOYSA-N 1 0 384.498 2.839 20 0 GFADRO C[C@@H](C[NH3+])N(C)C(=O)C(=O)Nc1cc(Cl)ccc1SCC(F)(F)F ZINC000415423831 563774267 /nfs/dbraw/zinc/77/42/67/563774267.db2.gz ZNNOWOWSBFKQRT-QMMMGPOBSA-N 1 0 383.823 2.739 20 0 GFADRO [NH3+]C[C@H](NC(=O)C(=O)Nc1ccc(Br)c(F)c1)C1CCCCC1 ZINC000415423467 563774355 /nfs/dbraw/zinc/77/43/55/563774355.db2.gz GRBHURPHKNRTDU-AWEZNQCLSA-N 1 0 386.265 2.551 20 0 GFADRO COC(=O)c1cc(Br)cc(C(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000292107226 563774775 /nfs/dbraw/zinc/77/47/75/563774775.db2.gz LVMSVKXZNOYUMI-XHDPSFHLSA-N 1 0 383.286 2.790 20 0 GFADRO COCCOc1ccc(Br)cc1NC(=O)N[C@@H](C[NH3+])CC(C)C ZINC000415435262 563775706 /nfs/dbraw/zinc/77/57/06/563775706.db2.gz ZESGJKGLTKLNNC-CYBMUJFWSA-N 1 0 388.306 2.969 20 0 GFADRO O=C(CC[C@H]1CCC[NH2+]1)Nc1ncn(Cc2cccc(Br)c2)n1 ZINC000292155499 563776621 /nfs/dbraw/zinc/77/66/21/563776621.db2.gz URKFPEYSYXGBSK-CQSZACIVSA-N 1 0 378.274 2.560 20 0 GFADRO Cc1cc(Br)cc(Cl)c1NC(=O)C(=O)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000415469663 563777623 /nfs/dbraw/zinc/77/76/23/563777623.db2.gz XFGXOVIHDDZVKT-BXKDBHETSA-N 1 0 388.693 2.545 20 0 GFADRO CC[NH2+]CC1CCN(C(=O)C(=O)Nc2ccc(Br)cc2C)CC1 ZINC000415477831 563778373 /nfs/dbraw/zinc/77/83/73/563778373.db2.gz OFOCEMQEFSALNU-UHFFFAOYSA-N 1 0 382.302 2.544 20 0 GFADRO Cn1nc(Br)cc1C(=O)N1CCC2(C[C@H]2C[N@H+](C)C2CC2)CC1 ZINC000365263509 563778533 /nfs/dbraw/zinc/77/85/33/563778533.db2.gz CYDYUSCUNHPMFJ-LBPRGKRZSA-N 1 0 381.318 2.519 20 0 GFADRO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)Nc1ccc(Br)c(Cl)c1 ZINC000415486048 563779026 /nfs/dbraw/zinc/77/90/26/563779026.db2.gz KHSQUYPHMDHRNH-CYBMUJFWSA-N 1 0 390.709 2.873 20 0 GFADRO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)Nc1cccc(Cl)c1SCC(F)F ZINC000415485516 563779066 /nfs/dbraw/zinc/77/90/66/563779066.db2.gz DNCBGBQTJQURCU-JTQLQIEISA-N 1 0 391.871 2.846 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)Nc2cc(Br)cnc2-n2cccn2)C1 ZINC000415489153 563779102 /nfs/dbraw/zinc/77/91/02/563779102.db2.gz UMEJLMZZJNTHJB-VXGBXAGGSA-N 1 0 393.289 2.621 20 0 GFADRO CC[NH2+][C@H](C)CNC(=O)Nc1nnc(-c2cccc(Br)c2)s1 ZINC000415501951 563779465 /nfs/dbraw/zinc/77/94/65/563779465.db2.gz PQCSFDAMTQUJLO-SECBINFHSA-N 1 0 384.303 3.087 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N(C)CC[C@H]([NH3+])C(C)C)c(Br)c1 ZINC000415496766 563779696 /nfs/dbraw/zinc/77/96/96/563779696.db2.gz GXTSGXRFPYSJFI-AWEZNQCLSA-N 1 0 384.318 2.836 20 0 GFADRO Cc1cc(Br)cc(Cl)c1NC(=O)C(=O)N1C[C@H](C[NH3+])C[C@@H]1C ZINC000415514118 563780623 /nfs/dbraw/zinc/78/06/23/563780623.db2.gz BLKAUJTZSRKTFL-UWVGGRQHSA-N 1 0 388.693 2.545 20 0 GFADRO C[C@@H](CCC[NH3+])NC(=O)Nc1ccnn1Cc1ccccc1Br ZINC000415519368 563780758 /nfs/dbraw/zinc/78/07/58/563780758.db2.gz FXUDFMZTFNBWDH-LBPRGKRZSA-N 1 0 380.290 2.943 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)Nc2ccnn2Cc2ccc(Br)cc2)CC[NH2+]1 ZINC000415521945 563781480 /nfs/dbraw/zinc/78/14/80/563781480.db2.gz CZFSRPXYQVMRLK-IUODEOHRSA-N 1 0 392.301 2.956 20 0 GFADRO Cc1ccc(NC(=O)C(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)c(Br)c1 ZINC000415524443 563781997 /nfs/dbraw/zinc/78/19/97/563781997.db2.gz SBMZISIDAZFPFD-OAHLLOKOSA-N 1 0 394.313 2.687 20 0 GFADRO C[C@H]1CN(C(=O)Nc2ccnn2Cc2ccc(Br)cc2)CC[NH2+]1 ZINC000415523517 563782063 /nfs/dbraw/zinc/78/20/63/563782063.db2.gz GJINQGDCPJEXGM-LBPRGKRZSA-N 1 0 378.274 2.520 20 0 GFADRO O=C(NC1CC([NH+]2CCCCC2)C1)c1cc2c(c(Br)c1)OCO2 ZINC000365410304 563782224 /nfs/dbraw/zinc/78/22/24/563782224.db2.gz ORKILUHHVIZCRF-UHFFFAOYSA-N 1 0 381.270 2.925 20 0 GFADRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1nc2ccccc2cc1Br ZINC000292299196 563782243 /nfs/dbraw/zinc/78/22/43/563782243.db2.gz VOVGFEGZRFGRSA-CQSZACIVSA-N 1 0 392.297 2.574 20 0 GFADRO COc1cc(OC)c(NC(=O)N2CC[C@H](C)[C@H](C[NH3+])C2)cc1Br ZINC000415527462 563782540 /nfs/dbraw/zinc/78/25/40/563782540.db2.gz IZCPQIBFTUPMHH-WDEREUQCSA-N 1 0 386.290 2.915 20 0 GFADRO C[NH2+]C[C@H]1CCN(C(=O)Nc2ccnn2Cc2ccc(Br)cc2)C1 ZINC000415534111 563783107 /nfs/dbraw/zinc/78/31/07/563783107.db2.gz UYWZOZVXZBPUFA-CQSZACIVSA-N 1 0 392.301 2.767 20 0 GFADRO CC(C)c1cc(Br)ccc1NC(=O)C(=O)N1C[C@@H](C[NH3+])C[C@H]1C ZINC000415538762 563783606 /nfs/dbraw/zinc/78/36/06/563783606.db2.gz IUZDNKBIOSWAHM-VXGBXAGGSA-N 1 0 382.302 2.707 20 0 GFADRO Cc1cc(NC(=O)C(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c(F)cc1Br ZINC000415546900 563784058 /nfs/dbraw/zinc/78/40/58/563784058.db2.gz YQXSSWGMCZXIOX-FOSCPWQOSA-N 1 0 398.276 2.577 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)Nc2cccc(Cl)c2SCC(F)F)C1 ZINC000415565475 563784213 /nfs/dbraw/zinc/78/42/13/563784213.db2.gz IKONDMFHZRHYTE-NXEZZACHSA-N 1 0 391.871 2.831 20 0 GFADRO CC(C)n1nccc1NC(=O)[C@@H](C)[NH2+][C@@H](CO)c1ccc(Br)cc1 ZINC000292383216 563784405 /nfs/dbraw/zinc/78/44/05/563784405.db2.gz ZHZFEKNMPFMNGI-DOMZBBRYSA-N 1 0 395.301 2.877 20 0 GFADRO COC[C@@H](C)Oc1ccc(Cl)cc1NC(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000415563575 563784598 /nfs/dbraw/zinc/78/45/98/563784598.db2.gz PLONQYCWNWFNKT-QMTHXVAHSA-N 1 0 377.819 2.872 20 0 GFADRO C[C@@]1(CNC(=O)C(=O)Nc2ccc(C(F)(F)F)cc2Cl)CCC[NH2+]C1 ZINC000415580942 563784933 /nfs/dbraw/zinc/78/49/33/563784933.db2.gz MPXGCORWXBXVFX-OAHLLOKOSA-N 1 0 377.794 2.803 20 0 GFADRO CC1(CNC(=O)C(=O)Nc2ccc(C(F)(F)F)cc2Cl)CC[NH2+]CC1 ZINC000415578200 563785066 /nfs/dbraw/zinc/78/50/66/563785066.db2.gz ZGGAAKWHPGIZFR-UHFFFAOYSA-N 1 0 377.794 2.803 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)Nc2ccc(Br)cc2OC(F)(F)F)CCO1 ZINC000415584291 563785524 /nfs/dbraw/zinc/78/55/24/563785524.db2.gz SJIHSYYEORUYGD-VIFPVBQESA-N 1 0 398.179 2.539 20 0 GFADRO O=C(c1n[nH]c2ccc(Br)cc21)N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000365538619 563785964 /nfs/dbraw/zinc/78/59/64/563785964.db2.gz NSXRUSRIJKGGFI-SGIREYDYSA-N 1 0 389.297 2.882 20 0 GFADRO Cn1ccnc1[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)nc2Cl)C1 ZINC000365535733 563786053 /nfs/dbraw/zinc/78/60/53/563786053.db2.gz QSRFBICMMKTROG-JTQLQIEISA-N 1 0 375.281 2.690 20 0 GFADRO COc1ccc(NC(=O)N2C[C@H](C)[NH2+]C[C@H]2C)c(I)c1 ZINC000415593486 563786346 /nfs/dbraw/zinc/78/63/46/563786346.db2.gz HDUJGDKLJDPFCC-VHSXEESVSA-N 1 0 389.237 2.514 20 0 GFADRO COC(=O)c1c(Br)ccc(NC(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)c1C ZINC000415594843 563786453 /nfs/dbraw/zinc/78/64/53/563786453.db2.gz GREGBPPMROKQQC-NWDGAFQWSA-N 1 0 396.285 2.617 20 0 GFADRO COC(=O)c1cccc(NC(=O)N2CCC([C@H](C)[NH3+])CC2)c1Br ZINC000415608005 563787536 /nfs/dbraw/zinc/78/75/36/563787536.db2.gz LEKNPEOPECWCBW-JTQLQIEISA-N 1 0 384.274 2.827 20 0 GFADRO COC(=O)c1cccc(NC(=O)N2CCC[C@@H](C)[C@@H]2C[NH3+])c1Br ZINC000415608654 563787604 /nfs/dbraw/zinc/78/76/04/563787604.db2.gz LYCNFUXJFAOMLZ-MFKMUULPSA-N 1 0 384.274 2.827 20 0 GFADRO COC(=O)c1cc(F)c(Br)cc1NC(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000415630313 563788668 /nfs/dbraw/zinc/78/86/68/563788668.db2.gz FHHUGMIWYHSHRP-BDAKNGLRSA-N 1 0 388.237 2.624 20 0 GFADRO [NH3+][C@H]1CCC[C@H](NC(=O)C(=O)Nc2cc(F)ccc2SCC(F)F)C1 ZINC000415646733 563790234 /nfs/dbraw/zinc/79/02/34/563790234.db2.gz NCTKDHMEGWBAPN-QWRGUYRKSA-N 1 0 375.416 2.508 20 0 GFADRO Cc1nc2cc(Cl)c(NC(=O)C(=O)N3CCC[C@@H](CC[NH3+])C3)cc2s1 ZINC000415675253 563790509 /nfs/dbraw/zinc/79/05/09/563790509.db2.gz JFTCDIASSNSVLA-NSHDSACASA-N 1 0 380.901 2.784 20 0 GFADRO Cc1cc(Cl)cc(NC(=O)C(=O)N[C@H]2CCC[NH2+][C@H]2C)c1Br ZINC000415668345 563790553 /nfs/dbraw/zinc/79/05/53/563790553.db2.gz ZLCKSEVQQUJEQW-ONGXEEELSA-N 1 0 388.693 2.606 20 0 GFADRO CC(C)Oc1cc(Br)cc(NC(=O)C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000415665076 563790562 /nfs/dbraw/zinc/79/05/62/563790562.db2.gz ZTAFCAVZHGLSQS-QWHCGFSZSA-N 1 0 398.301 2.561 20 0 GFADRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)Nc1ccc(Br)c2ccccc12 ZINC000415652398 563790593 /nfs/dbraw/zinc/79/05/93/563790593.db2.gz LHCWUESRYKIVME-XHDPSFHLSA-N 1 0 390.281 2.655 20 0 GFADRO [NH3+]CC[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000415677800 563791193 /nfs/dbraw/zinc/79/11/93/563791193.db2.gz NJZODEGLWBMDSV-JTQLQIEISA-N 1 0 377.794 2.885 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)C(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000415677929 563791523 /nfs/dbraw/zinc/79/15/23/563791523.db2.gz PMQJFNUTEUOELJ-AWEZNQCLSA-N 1 0 382.302 2.590 20 0 GFADRO COC(=O)c1ccc(Cl)cc1S(=O)(=O)NC[C@H](C)[N@@H+]1CCCC[C@H]1C ZINC000443103223 563791752 /nfs/dbraw/zinc/79/17/52/563791752.db2.gz KIPPNCXEWSQIHT-OLZOCXBDSA-N 1 0 388.917 2.668 20 0 GFADRO Cc1ccccc1C[NH+]1CCC(NC(=O)c2nn(C)cc2Br)CC1 ZINC000292647398 563792066 /nfs/dbraw/zinc/79/20/66/563792066.db2.gz NGKLYZPOQDTWDO-UHFFFAOYSA-N 1 0 391.313 2.885 20 0 GFADRO [NH3+]CCCN(CC1CCCC1)C(=O)C(=O)Nc1cccc(Br)c1 ZINC000415711120 563792494 /nfs/dbraw/zinc/79/24/94/563792494.db2.gz NBRFEYUTROPPBE-UHFFFAOYSA-N 1 0 382.302 2.755 20 0 GFADRO Cn1cc(Br)c(C(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2)n1 ZINC000292725229 563794551 /nfs/dbraw/zinc/79/45/51/563794551.db2.gz MIAUSBBOCRFZNK-UHFFFAOYSA-N 1 0 383.265 2.526 20 0 GFADRO Cc1cc(Br)cc(NC(=O)C(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)c1 ZINC000415759567 563794918 /nfs/dbraw/zinc/79/49/18/563794918.db2.gz JBFXNELOMGXEQS-CQSZACIVSA-N 1 0 394.313 2.544 20 0 GFADRO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)Nc1ccn(-c2ccc(Br)cc2)n1 ZINC000415762543 563795043 /nfs/dbraw/zinc/79/50/43/563795043.db2.gz WMKCCSFKUSOVRU-DOMZBBRYSA-N 1 0 392.301 3.274 20 0 GFADRO [NH3+]C[C@@H](NC(=O)Nc1ccn(-c2ccc(Br)cc2)n1)C1CCCC1 ZINC000415759540 563795095 /nfs/dbraw/zinc/79/50/95/563795095.db2.gz QUAIDULPXDMNSN-OAHLLOKOSA-N 1 0 392.301 3.274 20 0 GFADRO CSc1ccc(Cl)cc1NC(=O)C(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000415768107 563795721 /nfs/dbraw/zinc/79/57/21/563795721.db2.gz VFCNPACCDDOTKA-CYBMUJFWSA-N 1 0 381.929 2.849 20 0 GFADRO COc1cc(I)ccc1NC(=O)N(C)[C@H](C[NH3+])C1CC1 ZINC000415773584 563795817 /nfs/dbraw/zinc/79/58/17/563795817.db2.gz NDTUAQZDXJWFCO-GFCCVEGCSA-N 1 0 389.237 2.501 20 0 GFADRO COc1cc(I)ccc1NC(=O)N[C@H](C)CCCC[NH3+] ZINC000415776578 563796401 /nfs/dbraw/zinc/79/64/01/563796401.db2.gz XGJCXTKDULPPOC-SNVBAGLBSA-N 1 0 391.253 2.939 20 0 GFADRO C[NH2+]C[C@H]1CCCN1C(=O)Nc1ccc(I)cc1OC ZINC000415775631 563796407 /nfs/dbraw/zinc/79/64/07/563796407.db2.gz VFOBZXRULZGDGN-LLVKDONJSA-N 1 0 389.237 2.516 20 0 GFADRO [NH3+][C@H]1CCC[C@@H](CNC(=O)C(=O)Nc2cccc(Cl)c2Br)C1 ZINC000415804945 563796840 /nfs/dbraw/zinc/79/68/40/563796840.db2.gz IMMSPKYYZWNHNY-ZJUUUORDSA-N 1 0 388.693 2.675 20 0 GFADRO [NH3+][C@H]1CCC[C@@H](CNC(=O)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000415816771 563798318 /nfs/dbraw/zinc/79/83/18/563798318.db2.gz ULRHCJVBCZVHKZ-ZJUUUORDSA-N 1 0 377.794 2.931 20 0 GFADRO C[C@@H](CCNC(=O)c1nn(C)cc1Br)[N@H+](C)Cc1ccccc1 ZINC000293103960 563801000 /nfs/dbraw/zinc/80/10/00/563801000.db2.gz CGAFPMMFGHGCHQ-ZDUSSCGKSA-N 1 0 379.302 2.823 20 0 GFADRO COc1ccc(NC(=O)[C@@H]2C[NH+]3CCC2CC3)c(I)c1 ZINC000366214758 563801701 /nfs/dbraw/zinc/80/17/01/563801701.db2.gz YTOQDKZEFQNMBB-GFCCVEGCSA-N 1 0 386.233 2.580 20 0 GFADRO Cc1ccc(Cl)cc1N1CCN(C(=O)N[C@@H](CC[NH3+])C(F)(F)F)CC1 ZINC000415991307 563801845 /nfs/dbraw/zinc/80/18/45/563801845.db2.gz FSASACILYXYYIX-AWEZNQCLSA-N 1 0 378.826 2.760 20 0 GFADRO C[C@H](Cc1ccc(Br)cc1)NC(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000415997297 563802018 /nfs/dbraw/zinc/80/20/18/563802018.db2.gz RLGSHNJSDXHWQJ-BXKDBHETSA-N 1 0 382.224 2.959 20 0 GFADRO [NH3+]CC[C@@H](NC(=O)N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1)C(F)(F)F ZINC000416003022 563802125 /nfs/dbraw/zinc/80/21/25/563802125.db2.gz GFHQBGWIWDPQAM-CHWSQXEVSA-N 1 0 383.773 2.842 20 0 GFADRO [NH3+]CC[C@H](NC(=O)N[C@@H]1C[C@H]1c1ccccc1Br)C(F)(F)F ZINC000416041386 563803740 /nfs/dbraw/zinc/80/37/40/563803740.db2.gz IOFOPKXTLHYBBP-WCQGTBRESA-N 1 0 380.208 2.884 20 0 GFADRO COc1ccc(C[NH2+]C2CCC(CS(C)(=O)=O)CC2)cc1OC(F)F ZINC000293225586 563804429 /nfs/dbraw/zinc/80/44/29/563804429.db2.gz AODHTLOCJNCJLO-UHFFFAOYSA-N 1 0 377.453 2.990 20 0 GFADRO CN(Cc1cnn(-c2cccc(Cl)c2)c1)C(=O)c1csc(CC[NH3+])n1 ZINC000366418738 563807415 /nfs/dbraw/zinc/80/74/15/563807415.db2.gz OPFLQJGPMANGBA-UHFFFAOYSA-N 1 0 375.885 2.756 20 0 GFADRO CN(C(=O)c1nn(C)cc1Br)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000293298877 563807556 /nfs/dbraw/zinc/80/75/56/563807556.db2.gz SOHCNNIEWMJUMU-OAHLLOKOSA-N 1 0 391.313 2.919 20 0 GFADRO CS(=O)(=O)CC[C@@H]1CCCC[N@@H+]1C[C@@H](O)COCc1ccccc1Cl ZINC000366423751 563807723 /nfs/dbraw/zinc/80/77/23/563807723.db2.gz VLNPHFBXKMHFON-DLBZAZTESA-N 1 0 389.945 2.507 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)Cc1cc(F)ccc1Br ZINC000366441162 563808229 /nfs/dbraw/zinc/80/82/29/563808229.db2.gz XVHQZKDZFORNHX-OIISXLGYSA-N 1 0 399.304 2.841 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2C(=O)c1cc(F)ccc1Br ZINC000366428967 563808260 /nfs/dbraw/zinc/80/82/60/563808260.db2.gz MNSHVUCOZOKXDP-KCXAZCMYSA-N 1 0 385.277 2.912 20 0 GFADRO Cc1cc(C[NH+](C)C)cc(NC(=O)c2c(I)cnn2C)c1 ZINC000293328475 563808643 /nfs/dbraw/zinc/80/86/43/563808643.db2.gz FVKGTWMHQNOZCZ-UHFFFAOYSA-N 1 0 398.248 2.647 20 0 GFADRO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)CN1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000293360012 563809271 /nfs/dbraw/zinc/80/92/71/563809271.db2.gz IJGKPOFUCXVNGG-PHIMTYICSA-N 1 0 388.295 2.743 20 0 GFADRO O=C(N[C@H]1CC12CC[NH2+]CC2)c1cnn(-c2cccc(Br)c2)c1 ZINC000366468749 563809966 /nfs/dbraw/zinc/80/99/66/563809966.db2.gz FLKRMNISOKEGHQ-HNNXBMFYSA-N 1 0 375.270 2.507 20 0 GFADRO C[C@@H]1C[C@@H](NS(=O)(=O)c2ccc(Br)c(Cl)c2)CC[N@@H+]1C ZINC000443769324 563811700 /nfs/dbraw/zinc/81/17/00/563811700.db2.gz BFNAKTVUGIGUPN-ZJUUUORDSA-N 1 0 381.723 2.864 20 0 GFADRO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)CCCOc1ccccc1Br ZINC000416299558 563813768 /nfs/dbraw/zinc/81/37/68/563813768.db2.gz SEZKAQWUQGOWFH-HUUCEWRRSA-N 1 0 399.329 2.522 20 0 GFADRO CC[NH+](CC)CCN(CC(C)C)S(=O)(=O)c1c(C(F)F)c(C)nn1C ZINC000416365509 563817547 /nfs/dbraw/zinc/81/75/47/563817547.db2.gz AWLAAPQLCTXMEF-UHFFFAOYSA-N 1 0 380.505 2.655 20 0 GFADRO CSCc1cnc(C[NH2+][C@H]2CN(Cc3ccccc3)CC[C@H]2CO)s1 ZINC000293571136 563818966 /nfs/dbraw/zinc/81/89/66/563818966.db2.gz MYZYWQWBJMXCNY-WMZOPIPTSA-N 1 0 377.579 2.979 20 0 GFADRO COC(=O)c1c(Cl)cccc1S(=O)(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000416376590 563819768 /nfs/dbraw/zinc/81/97/68/563819768.db2.gz WBPSYBURIKJIMM-UHFFFAOYSA-N 1 0 388.917 2.669 20 0 GFADRO COC(=O)c1c(Cl)cccc1S(=O)(=O)NCC[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000416384139 563821099 /nfs/dbraw/zinc/82/10/99/563821099.db2.gz HBLJDFCRDFQKDP-STQMWFEESA-N 1 0 388.917 2.668 20 0 GFADRO C[C@@H](CN1CC[NH+](C)CC1)Nc1nnc(-c2cc(Cl)cc(Cl)c2)s1 ZINC000444089731 563821367 /nfs/dbraw/zinc/82/13/67/563821367.db2.gz YCBVFACQOCEZFK-NSHDSACASA-N 1 0 386.352 3.560 20 0 GFADRO Cc1cc(Br)cc(S(=O)(=O)N2CCC(C[NH+](C)C)CC2)c1 ZINC000444189453 563823200 /nfs/dbraw/zinc/82/32/00/563823200.db2.gz WTLIGVAZPUMDDF-UHFFFAOYSA-N 1 0 375.332 2.720 20 0 GFADRO O=C(NCC[C@H]1CCC[NH2+]1)c1ccc(Cl)c(I)c1 ZINC000444260315 563825588 /nfs/dbraw/zinc/82/55/88/563825588.db2.gz RCCXBZMZZKPZAV-SNVBAGLBSA-N 1 0 378.641 2.817 20 0 GFADRO Cn1cc([C@@H]([NH2+]C[C@@H]2CCCS(=O)(=O)C2)c2ccc(F)c(Cl)c2)cn1 ZINC000367055974 563829574 /nfs/dbraw/zinc/82/95/74/563829574.db2.gz UVRNXLOBVPFTSS-SJCJKPOMSA-N 1 0 385.892 2.716 20 0 GFADRO COc1cccc([C@@H]2C[C@H](O)CN2CC(=O)NCc2ccc(Cl)s2)c1 ZINC000367087492 563830175 /nfs/dbraw/zinc/83/01/75/563830175.db2.gz PZNDJUJOUOTLCG-BBRMVZONSA-N 1 0 380.897 2.834 20 0 GFADRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1Cc1nc2ccc(Br)cc2n1C ZINC000444680199 563834429 /nfs/dbraw/zinc/83/44/29/563834429.db2.gz WQKZBIGTMHWRRL-ZDUSSCGKSA-N 1 0 395.345 2.613 20 0 GFADRO CNC(=O)[C@@]1(C)CC[N@H+](C[C@@](C)(O)c2ccc(Br)cc2Cl)C1 ZINC000294239500 563835070 /nfs/dbraw/zinc/83/50/70/563835070.db2.gz TZAYTLXURMTMOF-JKSUJKDBSA-N 1 0 389.721 2.768 20 0 GFADRO CS(=O)(=O)[C@@H]1CCC[C@@H]([NH2+]C[C@H](O)COc2cccc(Cl)c2Cl)C1 ZINC000294256053 563836173 /nfs/dbraw/zinc/83/61/73/563836173.db2.gz NNNMPQWVZDCEOX-FRRDWIJNSA-N 1 0 396.336 2.679 20 0 GFADRO C[C@H]([NH2+]C[C@H]1CCCN(S(C)(=O)=O)C1)c1ccc(Br)s1 ZINC000444785564 563836755 /nfs/dbraw/zinc/83/67/55/563836755.db2.gz QWMAMEOIKFRPHF-WDEREUQCSA-N 1 0 381.361 2.833 20 0 GFADRO OC[C@H]1CCC[N@@H+]1C[C@@H]1CCCN1CCOc1ccccc1Br ZINC000367225886 563836973 /nfs/dbraw/zinc/83/69/73/563836973.db2.gz GTDCJLYRNRXITN-JKSUJKDBSA-N 1 0 383.330 2.749 20 0 GFADRO [NH3+]C[C@H]1CC[C@H](CNC(=O)[C@H]2CCCN2C(=O)c2ccc(Cl)s2)CC1 ZINC000367287243 563839124 /nfs/dbraw/zinc/83/91/24/563839124.db2.gz PAGGJPCEQPOWNG-MGPQQGTHSA-N 1 0 383.945 2.887 20 0 GFADRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)C3(c4cncc(Br)c4)CC3)C2)C1 ZINC000294329895 563839175 /nfs/dbraw/zinc/83/91/75/563839175.db2.gz XLCXMAJNNFSGCR-QGZVFWFLSA-N 1 0 378.314 2.820 20 0 GFADRO Cc1cc(S(=O)(=O)NCCCC[N@@H+](C)C2CC2)sc1Br ZINC000416509058 563840492 /nfs/dbraw/zinc/84/04/92/563840492.db2.gz SWFJRVJYVRDKPN-UHFFFAOYSA-N 1 0 381.361 2.972 20 0 GFADRO C[N@H+](CCCCNS(=O)(=O)c1ccc(F)c(Br)c1)C1CC1 ZINC000416509734 563840790 /nfs/dbraw/zinc/84/07/90/563840790.db2.gz VITMPQZXZOTUJD-UHFFFAOYSA-N 1 0 379.295 2.741 20 0 GFADRO C[C@@H](NC(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O)c1ccc(Cl)cc1Cl ZINC000444986297 563841095 /nfs/dbraw/zinc/84/10/95/563841095.db2.gz ARJSUAROEZTIMC-ABAIWWIYSA-N 1 0 387.311 2.693 20 0 GFADRO C[C@@H](Oc1cccc(Br)c1)C(=O)Nc1cnc2c(c1)C[NH2+]CC2 ZINC000367384780 563842796 /nfs/dbraw/zinc/84/27/96/563842796.db2.gz QWOKBADFEVIRBU-LLVKDONJSA-N 1 0 376.254 2.896 20 0 GFADRO C[C@H]1CN(C(=O)c2cc(F)cc(Br)c2)CCN1C1CC[NH+](C)CC1 ZINC000367444884 563845270 /nfs/dbraw/zinc/84/52/70/563845270.db2.gz LKCLDTLWXMPGPY-ZDUSSCGKSA-N 1 0 398.320 2.829 20 0 GFADRO COc1cc(C(F)(F)F)cc(S(=O)(=O)NCC[C@@H]2CCC[N@H+](C)C2)c1 ZINC000416561075 563848221 /nfs/dbraw/zinc/84/82/21/563848221.db2.gz TZDYNUNAOMKZQS-LBPRGKRZSA-N 1 0 380.432 2.724 20 0 GFADRO C[NH+](C)CCN(Cc1ccsc1)S(=O)(=O)CCOCc1ccccc1 ZINC000416558136 563848626 /nfs/dbraw/zinc/84/86/26/563848626.db2.gz OIZCVUCMDOKYCF-UHFFFAOYSA-N 1 0 382.551 2.658 20 0 GFADRO C[N@@H+]1CCC[C@@H](CCNS(=O)(=O)Cc2ccc(Br)cc2)C1 ZINC000416563724 563848953 /nfs/dbraw/zinc/84/89/53/563848953.db2.gz YPCSCWKPQUQGCA-ZDUSSCGKSA-N 1 0 375.332 2.600 20 0 GFADRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)NCCCCn1cc(Br)cn1 ZINC000367581163 563849451 /nfs/dbraw/zinc/84/94/51/563849451.db2.gz SGDUDOHZMHSZLR-GOEBONIOSA-N 1 0 398.349 2.694 20 0 GFADRO CO[C@@H]1[C@H](C)[C@H]([NH2+]C[C@H]2CCN(S(=O)(=O)c3cccs3)C2)C12CCC2 ZINC000367615458 563850544 /nfs/dbraw/zinc/85/05/44/563850544.db2.gz KSXCHKOBMJSIKR-TXCZRRACSA-N 1 0 384.567 2.552 20 0 GFADRO CS[C@@H]1CN(S(=O)(=O)c2ccc(OC(C)C)cc2)C[C@@H]1[NH+]1CCCC1 ZINC000445749484 563854374 /nfs/dbraw/zinc/85/43/74/563854374.db2.gz HUUNOMWXQJEMIC-ZWKOTPCHSA-N 1 0 384.567 2.674 20 0 GFADRO Cc1cc(N2CCC[C@H]([N@H+](C)CC3(CO)CC3)C2=O)ccc1Br ZINC000446074848 563857999 /nfs/dbraw/zinc/85/79/99/563857999.db2.gz ZFQYXJLTMOSBOS-INIZCTEOSA-N 1 0 381.314 2.957 20 0 GFADRO O=S(=O)(c1sccc1Br)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000368109727 563863900 /nfs/dbraw/zinc/86/39/00/563863900.db2.gz PLWBKUPRCISSMH-NSHDSACASA-N 1 0 379.345 2.521 20 0 GFADRO O=S(=O)(Cc1cccc(C(F)(F)F)c1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000368096365 563863962 /nfs/dbraw/zinc/86/39/62/563863962.db2.gz ABDZBPQJKZDACX-HNNXBMFYSA-N 1 0 376.444 2.857 20 0 GFADRO CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000446407778 563864128 /nfs/dbraw/zinc/86/41/28/563864128.db2.gz BVLHOCQWVBQJGO-IOASZLSFSA-N 1 0 383.945 2.578 20 0 GFADRO O=C(NCC[N@@H+]1CCCOCC1)N[C@@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000446499068 563865048 /nfs/dbraw/zinc/86/50/48/563865048.db2.gz OCTCFBLJCJEZSE-AWEZNQCLSA-N 1 0 379.810 2.965 20 0 GFADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1CC[C@@H]1c1cccc(Br)c1 ZINC000368173549 563865507 /nfs/dbraw/zinc/86/55/07/563865507.db2.gz LTKYYPCDZSBYHD-RHSMWYFYSA-N 1 0 395.345 2.541 20 0 GFADRO Cc1cc(C)c(NC(=O)N2C[C@@H](C)[N@@H+](CCO)C[C@@H]2C)cc1Br ZINC000417015302 563865796 /nfs/dbraw/zinc/86/57/96/563865796.db2.gz BKFBVERHNLXAIQ-KGLIPLIRSA-N 1 0 384.318 2.985 20 0 GFADRO O=C(CCC[S@@](=O)c1ccc(Br)cc1)N[C@@H]1CC12CC[NH2+]CC2 ZINC000368229682 563866663 /nfs/dbraw/zinc/86/66/63/563866663.db2.gz ULKKVNLKYYJCFO-IQMFZBJNSA-N 1 0 399.354 2.595 20 0 GFADRO C[C@H](NC(=O)[C@H](C)[N@@H+]1CC[C@@H]2C(=O)NC[C@@H]2C1)c1ccc(Cl)cc1Cl ZINC000368239790 563866905 /nfs/dbraw/zinc/86/69/05/563866905.db2.gz HKJITEOZQXZLKK-OHTBPHCPSA-N 1 0 384.307 2.627 20 0 GFADRO CS(=O)(=O)NC[C@@H]1CCCC[N@@H+]1CCc1cccc(OC(F)(F)F)c1 ZINC000446768157 563868887 /nfs/dbraw/zinc/86/88/87/563868887.db2.gz XQZCGLMGJIONTI-AWEZNQCLSA-N 1 0 380.432 2.531 20 0 GFADRO COC[C@H]([NH2+]Cc1cc(Br)c2c(c1)OCCO2)C1CCOCC1 ZINC000446835029 563869248 /nfs/dbraw/zinc/86/92/48/563869248.db2.gz JINBRLOMKQNEEM-HNNXBMFYSA-N 1 0 386.286 2.752 20 0 GFADRO CCOc1c(Br)cc(C(=O)N[C@@H]2CC23CC[NH2+]CC3)cc1OC ZINC000368383311 563869382 /nfs/dbraw/zinc/86/93/82/563869382.db2.gz DGIUQCUMQKYLQZ-CQSZACIVSA-N 1 0 383.286 2.728 20 0 GFADRO Cc1cc(C(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)nn1-c1ccc(Br)cc1 ZINC000368371057 563869401 /nfs/dbraw/zinc/86/94/01/563869401.db2.gz SRCYYNACYWNAQC-CJNGLKHVSA-N 1 0 389.297 2.767 20 0 GFADRO C[C@@H]([NH3+])[C@@H](C)NC(=O)NCC1(c2cccc(Br)c2)CCOCC1 ZINC000417173178 563869899 /nfs/dbraw/zinc/86/98/99/563869899.db2.gz HBIYNWGSBNITKA-CHWSQXEVSA-N 1 0 384.318 2.532 20 0 GFADRO CC(C)[C@@H]([NH3+])CNC(=O)N[C@@H](C)c1cc2c(cc1Br)OCCO2 ZINC000417184306 563871482 /nfs/dbraw/zinc/87/14/82/563871482.db2.gz SGDHHVQDKKWUGR-GWCFXTLKSA-N 1 0 386.290 2.564 20 0 GFADRO Brc1cc(C[NH2+][C@H]2CCO[C@@]3(CCOC3)C2)cc2c1OCCO2 ZINC000368464919 563871711 /nfs/dbraw/zinc/87/17/11/563871711.db2.gz DDBQBQNGSJEANV-GUYCJALGSA-N 1 0 384.270 2.648 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)NCC2(c3cccc(Br)c3)CCC2)CCCO1 ZINC000417211126 563873037 /nfs/dbraw/zinc/87/30/37/563873037.db2.gz FYRWVFRBTCRNHD-MRXNPFEDSA-N 1 0 396.329 2.630 20 0 GFADRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1cc(Br)cnc1N(C)C ZINC000368546072 563873563 /nfs/dbraw/zinc/87/35/63/563873563.db2.gz PTHNQFWJFRBMMQ-OCCSQVGLSA-N 1 0 381.318 2.609 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)NCc1cn2cc(Br)ccc2n1 ZINC000417218143 563873556 /nfs/dbraw/zinc/87/35/56/563873556.db2.gz KWBNJLFHPZWLLN-SMDDNHRTSA-N 1 0 380.290 2.508 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)c3ccn(-c4cccc(Br)c4)n3)C[C@H]21 ZINC000368615986 563875753 /nfs/dbraw/zinc/87/57/53/563875753.db2.gz VQXWOFNBEDWXSK-DAXOMENPSA-N 1 0 389.297 2.834 20 0 GFADRO C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)NC[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000417265921 563875749 /nfs/dbraw/zinc/87/57/49/563875749.db2.gz VUECTBMBMPZJNQ-ZNMIVQPWSA-N 1 0 395.345 2.667 20 0 GFADRO CC[N@@H+](Cc1cc(Br)ccc1F)C[C@H](O)CO[C@@H](C)COC ZINC000447158845 563875865 /nfs/dbraw/zinc/87/58/65/563875865.db2.gz RIYIONYWBMGTGF-WFASDCNBSA-N 1 0 378.282 2.823 20 0 GFADRO O=S(=O)(N[C@H]1CC12CC[NH2+]CC2)c1ccc(Br)cc1Cl ZINC000368637111 563876554 /nfs/dbraw/zinc/87/65/54/563876554.db2.gz XCLIDMSYGZUECR-LBPRGKRZSA-N 1 0 379.707 2.523 20 0 GFADRO C[C@H](Cc1cccc(Br)c1)NC(=O)N1CCC(OCCC[NH3+])CC1 ZINC000417289962 563877134 /nfs/dbraw/zinc/87/71/34/563877134.db2.gz WAUOXCQXFPNDPG-CQSZACIVSA-N 1 0 398.345 2.920 20 0 GFADRO COc1ccc(S(=O)(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c(Cl)c1Cl ZINC000447245717 563877971 /nfs/dbraw/zinc/87/79/71/563877971.db2.gz NMYSCHUKFLCAEJ-AXFHLTTASA-N 1 0 379.309 2.750 20 0 GFADRO COc1ccc(CC[NH2+][C@H](C)[C@@H]2C[C@H]2c2cccs2)cc1S(N)(=O)=O ZINC000417307754 563878006 /nfs/dbraw/zinc/87/80/06/563878006.db2.gz GPYFGNCAMAGNAD-VHDGCEQUSA-N 1 0 380.535 2.728 20 0 GFADRO [NH3+]C[C@H](NC(=O)NCc1cc(Br)c2c(c1)OCCO2)C1CCCC1 ZINC000417305252 563878219 /nfs/dbraw/zinc/87/82/19/563878219.db2.gz VYINJVZIKFDIHD-AWEZNQCLSA-N 1 0 398.301 2.537 20 0 GFADRO Cc1cc(Br)c(S(=O)(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)s1 ZINC000447253530 563878327 /nfs/dbraw/zinc/87/83/27/563878327.db2.gz ZDOPZOGPHMZLPP-NHCYSSNCSA-N 1 0 379.345 2.567 20 0 GFADRO Cc1c(S(=O)(=O)N[C@@H](C[NH3+])C2CCCC2)cnn1-c1ccc(Cl)cc1 ZINC000447259080 563878531 /nfs/dbraw/zinc/87/85/31/563878531.db2.gz VTVBDIQGCABLMB-INIZCTEOSA-N 1 0 382.917 2.630 20 0 GFADRO COc1cc(CNC(=O)N[C@@H]2CCC[C@H]([NH3+])C2)cc(Br)c1OC ZINC000417361749 563878671 /nfs/dbraw/zinc/87/86/71/563878671.db2.gz AJVATCDSWGEOHX-NWDGAFQWSA-N 1 0 386.290 2.535 20 0 GFADRO O=C(CNC(=O)C1CC[NH+](Cc2ccc(Cl)s2)CC1)N1CCCCC1 ZINC000368785255 563878837 /nfs/dbraw/zinc/87/88/37/563878837.db2.gz YPKIBVSGAMAYBM-UHFFFAOYSA-N 1 0 383.945 2.742 20 0 GFADRO COc1cc(CNC(=O)N[C@H](C)CCCC[NH3+])cc(Br)c1OC ZINC000417374507 563878799 /nfs/dbraw/zinc/87/87/99/563878799.db2.gz KOXOTOPBIVFUKB-LLVKDONJSA-N 1 0 388.306 2.783 20 0 GFADRO C[NH2+]C[C@@H](C)CNC(=O)NCc1cc(Br)ccc1OC(F)F ZINC000417408209 563879385 /nfs/dbraw/zinc/87/93/85/563879385.db2.gz OASCPLIDABITQP-SECBINFHSA-N 1 0 380.233 2.705 20 0 GFADRO C[C@@H](NC(=O)c1cccs1)C(=O)NC1CC[NH+](Cc2cccs2)CC1 ZINC000368802456 563879508 /nfs/dbraw/zinc/87/95/08/563879508.db2.gz NHTMWFGLRJMRHD-CYBMUJFWSA-N 1 0 377.535 2.709 20 0 GFADRO C[C@H]1C[C@@H](NC(=O)c2cc(I)ccc2Cl)CC[NH2+]1 ZINC000447510334 563882136 /nfs/dbraw/zinc/88/21/36/563882136.db2.gz IHCZQVHHHXBUIJ-WPRPVWTQSA-N 1 0 378.641 2.815 20 0 GFADRO CC[C@H]([NH3+])CNC(=O)NCCSCCOc1cccc(Br)c1 ZINC000417594804 563885384 /nfs/dbraw/zinc/88/53/84/563885384.db2.gz MYZBPKQLRRCAJX-ZDUSSCGKSA-N 1 0 390.347 2.598 20 0 GFADRO CC1CC[NH+](CCCNS(=O)(=O)c2ccc(OC(F)F)c(F)c2)CC1 ZINC000447775251 563885888 /nfs/dbraw/zinc/88/58/88/563885888.db2.gz GZEYSVWDRUFGPU-UHFFFAOYSA-N 1 0 380.432 2.827 20 0 GFADRO C[NH2+]C[C@H]1CCCN(C(=O)N[C@@H]2CCN(c3ccccc3Br)C2)C1 ZINC000417605636 563885889 /nfs/dbraw/zinc/88/58/89/563885889.db2.gz YXFGEANCIVZWKL-HUUCEWRRSA-N 1 0 395.345 2.669 20 0 GFADRO [NH3+][C@@H]1CCC[C@]12CCN(S(=O)(=O)c1cccc(Cl)c1Br)C2 ZINC000369076967 563886408 /nfs/dbraw/zinc/88/64/08/563886408.db2.gz LKCHHKPSUJROMM-TZMCWYRMSA-N 1 0 393.734 2.995 20 0 GFADRO O=C(NCC1(c2cccc(Br)c2)CC1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000417660228 563886758 /nfs/dbraw/zinc/88/67/58/563886758.db2.gz MUEMYUSVSFNEQS-UONOGXRCSA-N 1 0 378.314 2.732 20 0 GFADRO O=C(NCCCc1ccc(Br)cc1F)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000417685961 563887549 /nfs/dbraw/zinc/88/75/49/563887549.db2.gz ZAQAPNSDSLDYQM-XJKSGUPXSA-N 1 0 384.293 2.914 20 0 GFADRO CN(CC(C)(C)C[NH3+])C(=O)NCCOc1ncc(C(F)(F)F)cc1Cl ZINC000417735197 563888130 /nfs/dbraw/zinc/88/81/30/563888130.db2.gz LDGAWRSJIJZNHE-UHFFFAOYSA-N 1 0 382.814 2.759 20 0 GFADRO CCC[NH+]1CCN(C2CCN(C(=O)c3cc(Cl)c(Cl)n3C)CC2)CC1 ZINC000369155063 563888148 /nfs/dbraw/zinc/88/81/48/563888148.db2.gz JZOANZHCRAJDIT-UHFFFAOYSA-N 1 0 387.355 2.964 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)NC[C@@H](C)Oc2ccc(Br)cc2)C1 ZINC000417767235 563888618 /nfs/dbraw/zinc/88/86/18/563888618.db2.gz BGSOBDUGRKMYKM-MCIONIFRSA-N 1 0 384.318 2.985 20 0 GFADRO C[C@@H](CNC(=O)NC[C@]1(C)CCC[NH2+]C1)Oc1ccc(Br)cc1 ZINC000417775540 563889361 /nfs/dbraw/zinc/88/93/61/563889361.db2.gz NMTIIMHAHBCORH-SUMWQHHRSA-N 1 0 384.318 2.905 20 0 GFADRO C[C@@H]([NH3+])[C@@H](C)NC(=O)N[C@@H](C)c1nc(-c2ccc(Br)cc2)no1 ZINC000417879005 563890297 /nfs/dbraw/zinc/89/02/97/563890297.db2.gz AYKCMKLOQKOUSU-BBBLOLIVSA-N 1 0 382.262 2.595 20 0 GFADRO CC(C)[C@H]([NH3+])CNC(=O)N[C@H](C)c1nc(-c2ccc(Br)cc2)no1 ZINC000417889355 563890912 /nfs/dbraw/zinc/89/09/12/563890912.db2.gz JIYBJVWRADZAJT-ZWNOBZJWSA-N 1 0 396.289 2.843 20 0 GFADRO CC[C@@H](C)NC(=O)CC[NH2+]Cc1ccc(F)cc1I ZINC000417895679 563890940 /nfs/dbraw/zinc/89/09/40/563890940.db2.gz ZWSYUZZFMZRJNA-SNVBAGLBSA-N 1 0 378.229 2.825 20 0 GFADRO C[C@@H](NC(=O)N(C)C1CC([NH3+])C1)c1nc(-c2ccc(Br)cc2)no1 ZINC000417903048 563891769 /nfs/dbraw/zinc/89/17/69/563891769.db2.gz YRZNEZFJIFJEGU-UHEGKEBESA-N 1 0 394.273 2.691 20 0 GFADRO C[C@H](Cc1c(Cl)cccc1Cl)NC(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000417951168 563892088 /nfs/dbraw/zinc/89/20/88/563892088.db2.gz WVMYYVLVQDRYEY-KGLIPLIRSA-N 1 0 385.339 2.614 20 0 GFADRO O=C(c1nn(-c2ccc(F)cc2)cc1Br)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000369337138 563892579 /nfs/dbraw/zinc/89/25/79/563892579.db2.gz AEWSXLJRBMSADP-ABAIWWIYSA-N 1 0 393.260 2.598 20 0 GFADRO CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)N1CC[C@H]([C@H](C)[NH3+])C1 ZINC000417983863 563893443 /nfs/dbraw/zinc/89/34/43/563893443.db2.gz LYILKFWFMYLNFB-DUPGQFARSA-N 1 0 384.318 2.904 20 0 GFADRO COc1cc(Br)ccc1CCCNC(=O)N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000417993679 563894127 /nfs/dbraw/zinc/89/41/27/563894127.db2.gz AVGVETLHICBBEZ-GXTWGEPZSA-N 1 0 384.318 2.769 20 0 GFADRO COc1cc(Br)ccc1CCCNC(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000417998629 563894244 /nfs/dbraw/zinc/89/42/44/563894244.db2.gz HFUUMEWEJNOCPN-CABCVRRESA-N 1 0 396.329 2.641 20 0 GFADRO O=C(NCCOc1c(Cl)cc(Br)cc1Cl)N[C@@H]1CC[NH2+]C1 ZINC000418002231 563894517 /nfs/dbraw/zinc/89/45/17/563894517.db2.gz LWEMNHDCZMSSOQ-SECBINFHSA-N 1 0 397.100 2.796 20 0 GFADRO O=C(NCCOc1c(Cl)cc(Br)cc1Cl)N[C@H]1CC[NH2+]C1 ZINC000418002233 563894709 /nfs/dbraw/zinc/89/47/09/563894709.db2.gz LWEMNHDCZMSSOQ-VIFPVBQESA-N 1 0 397.100 2.796 20 0 GFADRO CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)NCCC[NH2+]C1CC1 ZINC000418000048 563894744 /nfs/dbraw/zinc/89/47/44/563894744.db2.gz WAAJRSJOIWKAGT-LRDDRELGSA-N 1 0 384.318 2.966 20 0 GFADRO O=C(N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000418000945 563894767 /nfs/dbraw/zinc/89/47/67/563894767.db2.gz KNTBGLXXZOVCQQ-MGPQQGTHSA-N 1 0 383.323 2.823 20 0 GFADRO COc1cc(Br)ccc1CCCNC(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000418007487 563895143 /nfs/dbraw/zinc/89/51/43/563895143.db2.gz RELKYYKFKRJGSF-WFASDCNBSA-N 1 0 384.318 2.688 20 0 GFADRO COc1cc(Br)ccc1CCCNC(=O)NC1(C)CC[NH2+]CC1 ZINC000418007492 563895180 /nfs/dbraw/zinc/89/51/80/563895180.db2.gz RFKYHNKHHNVMRW-UHFFFAOYSA-N 1 0 384.318 2.832 20 0 GFADRO O=C(NCCC[NH2+]C1CC1)N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000418012263 563895203 /nfs/dbraw/zinc/89/52/03/563895203.db2.gz VUBDFTSIJQOKBY-OAHLLOKOSA-N 1 0 385.295 2.540 20 0 GFADRO CCCN(C(=O)NCc1cn2cc(Br)cc(C)c2n1)[C@@H]1CC[NH2+]C1 ZINC000418017891 563895332 /nfs/dbraw/zinc/89/53/32/563895332.db2.gz HUZUNIUFSFMQDL-OAHLLOKOSA-N 1 0 394.317 2.689 20 0 GFADRO Cc1cc(Br)cn2cc(CNC(=O)N3CC[C@@H](C)C[C@H]3C[NH3+])nc12 ZINC000418021501 563895350 /nfs/dbraw/zinc/89/53/50/563895350.db2.gz PVGAWLMBIUFOLW-ABAIWWIYSA-N 1 0 394.317 2.674 20 0 GFADRO CCCOC[C@@H](Cc1cccc(Br)c1)NC(=O)N1CC[C@@H](C[NH3+])C1 ZINC000418025144 563896085 /nfs/dbraw/zinc/89/60/85/563896085.db2.gz FQCQLZGIDLVEJH-DOTOQJQBSA-N 1 0 398.345 2.777 20 0 GFADRO [NH3+]C[C@H](NC(=O)NCc1cc(Br)ccc1Br)C1CC1 ZINC000418038965 563896592 /nfs/dbraw/zinc/89/65/92/563896592.db2.gz HOANJTCCQIYCIA-LBPRGKRZSA-N 1 0 391.107 2.748 20 0 GFADRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)N[C@@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)C1 ZINC000418054699 563896976 /nfs/dbraw/zinc/89/69/76/563896976.db2.gz AAVYQHIFFVBUQV-MPKXVKKWSA-N 1 0 385.295 2.525 20 0 GFADRO [NH3+][C@H]1CCN(C(=O)N[C@@H](Cc2ccccn2)c2ccc(Br)cc2)C1 ZINC000418070763 563897503 /nfs/dbraw/zinc/89/75/03/563897503.db2.gz UFLRPVWSHUHXCI-RDJZCZTQSA-N 1 0 389.297 2.871 20 0 GFADRO C[C@H](CCC[NH3+])NC(=O)N[C@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O ZINC000418078036 563897827 /nfs/dbraw/zinc/89/78/27/563897827.db2.gz JDKFIBCVYNUGJH-RISCZKNCSA-N 1 0 387.311 2.915 20 0 GFADRO C[C@H]1C[C@@H](NC(=O)NCc2cnn(-c3ccc(Br)cc3)c2)CC[NH2+]1 ZINC000418085885 563898249 /nfs/dbraw/zinc/89/82/49/563898249.db2.gz BJJMHHSEWNVISA-WFASDCNBSA-N 1 0 392.301 2.575 20 0 GFADRO CCC([NH3+])(CC)CNC(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000418099800 563898924 /nfs/dbraw/zinc/89/89/24/563898924.db2.gz NLKATSKUBPYNOC-CQSZACIVSA-N 1 0 383.334 2.845 20 0 GFADRO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1Cc1ccc(OC(F)F)c(Br)c1 ZINC000418111232 563898928 /nfs/dbraw/zinc/89/89/28/563898928.db2.gz KIEXACKKHVQIBD-RYUDHWBXSA-N 1 0 393.272 2.937 20 0 GFADRO C[C@H](CCc1ccc(I)cc1)NC(=O)N(C)[C@@H](C)C[NH3+] ZINC000418117313 563899388 /nfs/dbraw/zinc/89/93/88/563899388.db2.gz SJJOHEYWUAMGOL-NEPJUHHUSA-N 1 0 389.281 2.601 20 0 GFADRO COc1cc(Br)ccc1CNC(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000418135082 563899847 /nfs/dbraw/zinc/89/98/47/563899847.db2.gz HJHJEMOYLRHBLJ-AWEZNQCLSA-N 1 0 396.329 2.989 20 0 GFADRO Cc1cc(CNC(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)ccc1I ZINC000418145400 563899914 /nfs/dbraw/zinc/89/99/14/563899914.db2.gz XWJKCTNRIFFIEU-KGLIPLIRSA-N 1 0 399.276 2.636 20 0 GFADRO Cc1cc(CNC(=O)NC2(C)CC[NH2+]CC2)ccc1I ZINC000418138157 563899943 /nfs/dbraw/zinc/89/99/43/563899943.db2.gz GBKCLQSMVDYWOF-UHFFFAOYSA-N 1 0 387.265 2.541 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc(I)cc1F ZINC000448707119 563900110 /nfs/dbraw/zinc/90/01/10/563900110.db2.gz CCGCWJCYUBYLFK-KGLIPLIRSA-N 1 0 388.224 2.787 20 0 GFADRO COc1cc(Br)ccc1CNC(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000418153967 563900275 /nfs/dbraw/zinc/90/02/75/563900275.db2.gz VILCTZNVJYSHJI-CFVMTHIKSA-N 1 0 382.302 2.727 20 0 GFADRO C[NH2+]C[C@H](C)CNC(=O)NCc1ccc(I)c(Cl)c1 ZINC000418157189 563900403 /nfs/dbraw/zinc/90/04/03/563900403.db2.gz MJYWMTKONGKVMS-VIFPVBQESA-N 1 0 395.672 2.599 20 0 GFADRO C[C@H](C[NH3+])NC(=O)NC[C@@H](c1ccc(Cl)cc1)N(C)CCC(F)(F)F ZINC000418168895 563900483 /nfs/dbraw/zinc/90/04/83/563900483.db2.gz MMFYRZVJYKYMKQ-RISCZKNCSA-N 1 0 380.842 2.912 20 0 GFADRO CC1(CNC(=O)NCc2cc(F)c(F)cc2Br)CC[NH2+]CC1 ZINC000418187358 563900764 /nfs/dbraw/zinc/90/07/64/563900764.db2.gz VGCJJAQIDRCWOU-UHFFFAOYSA-N 1 0 376.245 2.916 20 0 GFADRO C[C@H]([NH3+])C1CCN(C(=O)NCc2cc(F)c(F)cc2Br)CC1 ZINC000418178293 563900804 /nfs/dbraw/zinc/90/08/04/563900804.db2.gz INYWCJBMCGPPMI-VIFPVBQESA-N 1 0 376.245 2.996 20 0 GFADRO CC(C)[N@@H+]1CCCN(C(=O)c2ccc(I)cc2F)CC1 ZINC000448895982 563902656 /nfs/dbraw/zinc/90/26/56/563902656.db2.gz PHZBSQAIJBHRRI-UHFFFAOYSA-N 1 0 390.240 2.987 20 0 GFADRO Cc1ccc(C(=O)N2CCC(C(=O)NCC[NH+](C)C)CC2)c(Cl)c1Cl ZINC000448978408 563904423 /nfs/dbraw/zinc/90/44/23/563904423.db2.gz XJHIHXXYJOBQQA-UHFFFAOYSA-N 1 0 386.323 2.832 20 0 GFADRO CC[NH+]1CCN(CCNC(=O)c2cc(Cl)c(F)cc2Br)CC1 ZINC000448976502 563904493 /nfs/dbraw/zinc/90/44/93/563904493.db2.gz UKPIRWYTBBXWJX-UHFFFAOYSA-N 1 0 392.700 2.609 20 0 GFADRO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccccc1-n1cc(Br)cn1 ZINC000448983553 563904527 /nfs/dbraw/zinc/90/45/27/563904527.db2.gz IPFZDWBUXRYVFP-ZFWWWQNUSA-N 1 0 389.297 2.944 20 0 GFADRO CN(C)C(=O)CC[NH+]1CCC(NCc2cccc(Br)c2F)CC1 ZINC000449123141 563906898 /nfs/dbraw/zinc/90/68/98/563906898.db2.gz MTYRPYZNHRUMJN-UHFFFAOYSA-N 1 0 386.309 2.621 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]CCC1CCOCC1 ZINC000449137814 563907236 /nfs/dbraw/zinc/90/72/36/563907236.db2.gz AIZNXMXHRQXHLK-ZDUSSCGKSA-N 1 0 399.329 2.869 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]CCN1CCCCC1 ZINC000449218200 563908166 /nfs/dbraw/zinc/90/81/66/563908166.db2.gz GGPRBDDFXSTKMD-AWEZNQCLSA-N 1 0 398.345 2.538 20 0 GFADRO CCN(CCC[NH+](C)C)C(=O)c1c(F)cccc1I ZINC000470853530 564179137 /nfs/dbraw/zinc/17/91/37/564179137.db2.gz FGYIYBLQXBJPDL-UHFFFAOYSA-N 1 0 378.229 2.844 20 0 GFADRO COc1cc(F)cc(C[NH2+]CCCNS(=O)(=O)c2ccccc2Cl)c1 ZINC000449301821 564179403 /nfs/dbraw/zinc/17/94/03/564179403.db2.gz IHUAXALQYBTIRL-UHFFFAOYSA-N 1 0 386.876 2.946 20 0 GFADRO O=C(C1CC[NH+]([C@H]2CCSC2)CC1)N1CCC[C@H](OCC(F)(F)F)C1 ZINC000563225162 564179947 /nfs/dbraw/zinc/17/99/47/564179947.db2.gz ZNDFKFNOURBJKS-GJZGRUSLSA-N 1 0 380.476 2.774 20 0 GFADRO CS(=O)(=O)NCC1CC[NH+](Cc2cnc(-c3ccccc3F)s2)CC1 ZINC000449318294 564180529 /nfs/dbraw/zinc/18/05/29/564180529.db2.gz VWOZKNSGPCTHIL-UHFFFAOYSA-N 1 0 383.514 2.710 20 0 GFADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+]CCc1cc(C)no1 ZINC000449323843 564180998 /nfs/dbraw/zinc/18/09/98/564180998.db2.gz XJBWVDBASSRSQP-GFCCVEGCSA-N 1 0 396.285 2.591 20 0 GFADRO C[C@@H](CN1CCC[C@@](O)(C(F)(F)F)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000449322806 564181059 /nfs/dbraw/zinc/18/10/59/564181059.db2.gz QOBQPJWVBFKWCZ-BBRMVZONSA-N 1 0 379.444 2.973 20 0 GFADRO C[C@H](CN1CC[C@H](C(F)(F)F)[C@H](CO)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000449323566 564181072 /nfs/dbraw/zinc/18/10/72/564181072.db2.gz WENOFZQEHKRJSC-INWMFGNUSA-N 1 0 379.444 2.686 20 0 GFADRO Cc1ccnc(C(=O)N(CC[NH+](C)C)Cc2ccc(Br)cc2)n1 ZINC000470933556 564181186 /nfs/dbraw/zinc/18/11/86/564181186.db2.gz RSWHFWLSLWYFJW-UHFFFAOYSA-N 1 0 377.286 2.752 20 0 GFADRO CCc1sc(C(=O)N2CCC[N@@H+]([C@H](C)CO)CC2)cc1Br ZINC000505355639 564181361 /nfs/dbraw/zinc/18/13/61/564181361.db2.gz KYJNIDJVSWOGKN-LLVKDONJSA-N 1 0 375.332 2.602 20 0 GFADRO COc1ccc2c(c1)C[C@H]([NH2+]CCn1cc(Br)ccc1=O)CC2 ZINC000449374831 564182871 /nfs/dbraw/zinc/18/28/71/564182871.db2.gz GPVJJIGBEJWUNF-MRXNPFEDSA-N 1 0 377.282 2.767 20 0 GFADRO COC[C@](C)(O)CC[NH2+]C1CCN(Cc2ccccc2Br)CC1 ZINC000449384111 564183184 /nfs/dbraw/zinc/18/31/84/564183184.db2.gz MGSJCCVSPAAUTK-GOSISDBHSA-N 1 0 385.346 2.791 20 0 GFADRO OCCCN1CCC[C@H]1C[NH2+]Cc1cc(Br)ccc1OC(F)F ZINC000449386863 564183489 /nfs/dbraw/zinc/18/34/89/564183489.db2.gz JOKKLNPITIPQKI-AWEZNQCLSA-N 1 0 393.272 2.987 20 0 GFADRO OCCN1CCCC[C@@H]1C[NH2+]Cc1ccc(OC(F)F)c(Br)c1 ZINC000449398793 564184146 /nfs/dbraw/zinc/18/41/46/564184146.db2.gz YVTVNTLUYUGIFU-CYBMUJFWSA-N 1 0 393.272 2.987 20 0 GFADRO C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]C[C@@H]1CCCCN1CCO ZINC000449394604 564185077 /nfs/dbraw/zinc/18/50/77/564185077.db2.gz OCHXUJQYCVVRMM-YOEHRIQHSA-N 1 0 398.345 2.603 20 0 GFADRO O=C(N1CCN(c2cccc(Br)c2)CC1)C12CCC[NH+]1CCC2 ZINC000563315350 564185563 /nfs/dbraw/zinc/18/55/63/564185563.db2.gz AVKMYUVDUXCFBC-UHFFFAOYSA-N 1 0 378.314 2.726 20 0 GFADRO CC(C)[C@H]([NH2+]CCOc1cc(Cl)cc(Cl)c1)C(=O)N1CCOCC1 ZINC000538258789 564186298 /nfs/dbraw/zinc/18/62/98/564186298.db2.gz JCERJADNVPYWKE-INIZCTEOSA-N 1 0 375.296 2.845 20 0 GFADRO CO[C@H]1COCC[C@@H]1C[NH2+]Cc1c(F)ccc(I)c1F ZINC000449456307 564186577 /nfs/dbraw/zinc/18/65/77/564186577.db2.gz FACXYYBKFVDJAH-RNCFNFMXSA-N 1 0 397.203 2.711 20 0 GFADRO COc1cc(C[NH2+]Cc2cccc(S(=O)(=O)N(C)C)c2)ccc1SC ZINC000449474709 564187709 /nfs/dbraw/zinc/18/77/09/564187709.db2.gz VUDRIAXSRLTQIG-UHFFFAOYSA-N 1 0 380.535 2.957 20 0 GFADRO CO[C@@H]1COCC[C@H]1C[NH2+][C@@H](C)CC(=O)Nc1cccc(Br)c1 ZINC000449463090 564188263 /nfs/dbraw/zinc/18/82/63/564188263.db2.gz WGNPAXVNJTWEOJ-HEHGZKQESA-N 1 0 385.302 2.807 20 0 GFADRO CCCN(CCC[NH+](C)C)C(=O)C(=O)Nc1ccc(Br)c(F)c1 ZINC000471197361 564189143 /nfs/dbraw/zinc/18/91/43/564189143.db2.gz WPYHYVDUSJKJAW-UHFFFAOYSA-N 1 0 388.281 2.717 20 0 GFADRO COc1ccc(C[C@H](CO)C[NH2+][C@H]2C[C@H](C)N(C3CC3)C2)cc1Br ZINC000449598934 564190814 /nfs/dbraw/zinc/19/08/14/564190814.db2.gz JMXLZKCOBMUXIX-BPUTZDHNSA-N 1 0 397.357 2.824 20 0 GFADRO OC[C@H](C[NH2+]Cc1c[nH]c2nccnc12)Cc1cc(Br)ccc1F ZINC000449596312 564191104 /nfs/dbraw/zinc/19/11/04/564191104.db2.gz AUYCFDPAWOMRFK-NSHDSACASA-N 1 0 393.260 2.752 20 0 GFADRO C[C@H]1CSc2ccc(Br)cc2[C@@H]1[NH2+]CC(=O)N1CCOCC1 ZINC000538463357 564191749 /nfs/dbraw/zinc/19/17/49/564191749.db2.gz QBJZKVLPYXNQAI-MEDUHNTESA-N 1 0 385.327 2.680 20 0 GFADRO CCOc1cc(Br)c(CC(=O)N2C[C@H](C)[NH2+]C[C@@H]2C)cc1OCC ZINC000505823518 564191817 /nfs/dbraw/zinc/19/18/17/564191817.db2.gz FFFPUKYIVBOXSK-STQMWFEESA-N 1 0 399.329 2.998 20 0 GFADRO C[NH+]1CCN(Cc2ccc(NC(=O)c3cc(F)c[nH]3)cc2Br)CC1 ZINC000505923564 564192700 /nfs/dbraw/zinc/19/27/00/564192700.db2.gz VVCQNVOFUHNRNB-UHFFFAOYSA-N 1 0 395.276 2.916 20 0 GFADRO COc1c(Cl)cc(NC(=O)C(=O)N2CC[C@]3(C2)CCC[NH2+]C3)cc1Cl ZINC000563496512 564193505 /nfs/dbraw/zinc/19/35/05/564193505.db2.gz SICULTWZDVTOMG-QGZVFWFLSA-N 1 0 386.279 2.543 20 0 GFADRO COc1cc(C[NH2+][C@@H](CC(N)=O)c2ccccc2)cc(Br)c1O ZINC000563504923 564194610 /nfs/dbraw/zinc/19/46/10/564194610.db2.gz WMHNRBPHBZQXHG-AWEZNQCLSA-N 1 0 379.254 2.870 20 0 GFADRO C[C@@H](Cn1cc(Br)cn1)[NH2+]C[C@@H](c1nnc[nH]1)c1ccccc1 ZINC000449672967 564194655 /nfs/dbraw/zinc/19/46/55/564194655.db2.gz YNBMNTLQZFCIJA-SWLSCSKDSA-N 1 0 375.274 2.574 20 0 GFADRO C[N@H+](CC(=O)N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1)[C@@H]1CCSC1 ZINC000471423596 564194817 /nfs/dbraw/zinc/19/48/17/564194817.db2.gz HWBPCGBVMBYANC-TYNCELHUSA-N 1 0 387.318 2.998 20 0 GFADRO CC1CC[NH+](CCCNC(=O)c2cn3ccc(Br)cc3n2)CC1 ZINC000506031916 564195462 /nfs/dbraw/zinc/19/54/62/564195462.db2.gz SKAZHRNGQDONIY-UHFFFAOYSA-N 1 0 379.302 2.949 20 0 GFADRO COc1ccc(C[NH2+]C[C@H](CO)Cc2cc(Br)ccc2OC)cn1 ZINC000449686690 564196935 /nfs/dbraw/zinc/19/69/35/564196935.db2.gz ZMYLHTCDVRDBCW-CQSZACIVSA-N 1 0 395.297 2.802 20 0 GFADRO C[C@@H]1CN(C2CC2)C[C@H]1[NH2+]C[C@H](CO)Cc1ccc(F)c(Br)c1 ZINC000449685108 564197131 /nfs/dbraw/zinc/19/71/31/564197131.db2.gz RJHLGGWNUUXNJG-RVZJWNSFSA-N 1 0 385.321 2.812 20 0 GFADRO C[C@H](CN1CC[NH+]([C@@H]2CCNC(=O)CC2)CC1)c1cccc(Br)c1 ZINC000449704666 564198048 /nfs/dbraw/zinc/19/80/48/564198048.db2.gz WGGTUSSDOCXMAQ-QAPCUYQASA-N 1 0 394.357 2.839 20 0 GFADRO Cc1c(C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)cnn1-c1cccc(Br)c1 ZINC000449719908 564198792 /nfs/dbraw/zinc/19/87/92/564198792.db2.gz RJIAYSDSEYVOHK-TZMCWYRMSA-N 1 0 377.286 2.800 20 0 GFADRO [NH3+]C[C@@H]1CC[C@H](NC(=O)c2cc(I)ccc2Cl)C1 ZINC000449723660 564198902 /nfs/dbraw/zinc/19/89/02/564198902.db2.gz XIRYEUJXEZXQKS-SCZZXKLOSA-N 1 0 378.641 2.802 20 0 GFADRO COc1c(Br)c(C)sc1C(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000449729968 564199278 /nfs/dbraw/zinc/19/92/78/564199278.db2.gz PBYNEQNDOLUTGT-ZCFIWIBFSA-N 1 0 375.210 2.837 20 0 GFADRO Cc1ccc(C[N@H+](C)CCOc2ccc(S(N)(=O)=O)cc2F)cc1Cl ZINC000449756530 564200592 /nfs/dbraw/zinc/20/05/92/564200592.db2.gz QYHWDRFUXKHOAI-UHFFFAOYSA-N 1 0 386.876 2.946 20 0 GFADRO C[C@@H]1c2cccc(Br)c2CCN1C(=O)NCCOCC[NH+](C)C ZINC000471636544 564200709 /nfs/dbraw/zinc/20/07/09/564200709.db2.gz NPOKMMFPKVBCMM-CYBMUJFWSA-N 1 0 384.318 2.656 20 0 GFADRO Cc1cc(C(=O)N[C@@H]2CC[NH2+]C2(C)C)nn1-c1ccc(Br)cc1 ZINC000449755131 564201101 /nfs/dbraw/zinc/20/11/01/564201101.db2.gz SICILAPEXOZEAE-OAHLLOKOSA-N 1 0 377.286 2.814 20 0 GFADRO NS(=O)(=O)CC1CC[NH+]([C@H]2CCCc3ccc(Br)cc32)CC1 ZINC000538782354 564201381 /nfs/dbraw/zinc/20/13/81/564201381.db2.gz IMOWAPONLVYDAK-INIZCTEOSA-N 1 0 387.343 2.827 20 0 GFADRO C[NH+](C)CCOCCNC(=O)N1CCC[C@H]1c1ccc(Br)s1 ZINC000471663276 564201781 /nfs/dbraw/zinc/20/17/81/564201781.db2.gz HRTXUNBWMONKSD-LBPRGKRZSA-N 1 0 390.347 2.935 20 0 GFADRO CC[C@@H]([NH2+]Cc1c(C)nn(-c2ccc(Br)cc2)c1C)C(=O)NC ZINC000449776119 564202375 /nfs/dbraw/zinc/20/23/75/564202375.db2.gz OFZCLMIBUPVYPZ-MRXNPFEDSA-N 1 0 379.302 2.866 20 0 GFADRO Cn1ncc(Br)c1C(=O)N(CCCc1ccccc1)CC[NH+](C)C ZINC000449815941 564202700 /nfs/dbraw/zinc/20/27/00/564202700.db2.gz YUIGNVISIWODCP-UHFFFAOYSA-N 1 0 393.329 2.819 20 0 GFADRO C[C@@H](CNC(=O)c1cn2ccc(Br)cc2n1)[N@@H+]1CCC[C@H](C)C1 ZINC000506497651 564202889 /nfs/dbraw/zinc/20/28/89/564202889.db2.gz XWXLPPOBJNFDCB-STQMWFEESA-N 1 0 379.302 2.947 20 0 GFADRO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)c2ccsc2Br)CC1 ZINC000449849315 564205620 /nfs/dbraw/zinc/20/56/20/564205620.db2.gz MYWKRYVDZXMIAH-ZDUSSCGKSA-N 1 0 386.359 2.753 20 0 GFADRO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)CN1CC[N@H+](C)[C@@H](C)[C@@H]1C ZINC000538943362 564206872 /nfs/dbraw/zinc/20/68/72/564206872.db2.gz RGCVLAZPPSHDNO-QWRGUYRKSA-N 1 0 388.295 2.743 20 0 GFADRO Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)[NH2+]C[C@@H]1CS(=O)(=O)CCO1 ZINC000539050003 564208708 /nfs/dbraw/zinc/20/87/08/564208708.db2.gz UXIJYKHHXLEAMR-XJKSGUPXSA-N 1 0 380.535 2.891 20 0 GFADRO CCSc1ccc([C@@H](C)[NH2+]CCS(=O)(=O)NC[C@@H]2CCCCO2)cc1 ZINC000539077833 564208981 /nfs/dbraw/zinc/20/89/81/564208981.db2.gz CDCYCJLVQDOYLE-WBVHZDCISA-N 1 0 386.583 2.938 20 0 GFADRO COc1ccc(C[NH2+]CCOc2ccc(NS(C)(=O)=O)cc2)c(Cl)c1 ZINC000539104366 564209508 /nfs/dbraw/zinc/20/95/08/564209508.db2.gz QOADMTSEXZWBNV-UHFFFAOYSA-N 1 0 384.885 2.889 20 0 GFADRO CC[C@@H](O)CC(=O)NC1CC[NH+](CCOc2ccc(Br)cc2)CC1 ZINC000449937838 564209618 /nfs/dbraw/zinc/20/96/18/564209618.db2.gz DEFIATSIYAFQIM-MRXNPFEDSA-N 1 0 399.329 2.570 20 0 GFADRO O=C(NCCC[NH+]1CCC(O)CC1)c1cc2c(ccc(F)c2Br)[nH]1 ZINC000449935060 564209824 /nfs/dbraw/zinc/20/98/24/564209824.db2.gz OGFQIULQVNVHCU-UHFFFAOYSA-N 1 0 398.276 2.646 20 0 GFADRO COc1ccc(C(=O)CCC(=O)NC[C@]2([NH+](C)C)CCSC2)c(Cl)c1 ZINC000506731434 564210862 /nfs/dbraw/zinc/21/08/62/564210862.db2.gz LGSDNNCHFDMCHN-GOSISDBHSA-N 1 0 384.929 2.865 20 0 GFADRO COCCC[NH+]1CCC(NC(=O)c2c[nH]c3ncc(Br)cc23)CC1 ZINC000472027931 564211222 /nfs/dbraw/zinc/21/12/22/564211222.db2.gz CGURRYWIYKKPJK-UHFFFAOYSA-N 1 0 395.301 2.556 20 0 GFADRO O=C([C@@H]1Cc2cc(Br)ccc2O1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000472094868 564212989 /nfs/dbraw/zinc/21/29/89/564212989.db2.gz GFHYZCZSDUWVOH-WBVHZDCISA-N 1 0 379.298 2.839 20 0 GFADRO O=C(NCC[C@H]1CCC[NH2+]C1)N1CCOc2ccc(Br)cc2C1 ZINC000563946206 564213994 /nfs/dbraw/zinc/21/39/94/564213994.db2.gz LZBLALAPQZUFTD-CYBMUJFWSA-N 1 0 382.302 2.743 20 0 GFADRO C[NH+](C)[C@]1(CNC(=O)N[C@H]2CCO[C@H]2c2ccc(Cl)cc2)CCSC1 ZINC000539227654 564213996 /nfs/dbraw/zinc/21/39/96/564213996.db2.gz RIKGWLRYKANEJK-BQFCYCMXSA-N 1 0 383.945 2.907 20 0 GFADRO CCC[N@H+](CC)CCNC(=O)CCNC(=O)Nc1ccc(Br)cc1 ZINC000472221245 564217396 /nfs/dbraw/zinc/21/73/96/564217396.db2.gz HCWMSUNJILHYTP-UHFFFAOYSA-N 1 0 399.333 2.809 20 0 GFADRO O=C(NCCSCc1ccc(Cl)cc1Cl)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000539368527 564217560 /nfs/dbraw/zinc/21/75/60/564217560.db2.gz BQRJMAMIZQTNLL-INIZCTEOSA-N 1 0 388.364 2.733 20 0 GFADRO CN(Cc1ccc(OC(F)F)c(Br)c1)C[C@@H]1CCS(=O)(=O)C1 ZINC000539383296 564217686 /nfs/dbraw/zinc/21/76/86/564217686.db2.gz FFBYNIWWJOWKAF-NSHDSACASA-N 1 0 398.269 2.917 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCc2ccc(S(=O)(=O)CC)s2)C[C@H]1C ZINC000472277457 564218090 /nfs/dbraw/zinc/21/80/90/564218090.db2.gz PMRQGIUBKYPXNN-ZIAGYGMSSA-N 1 0 387.571 2.556 20 0 GFADRO C[N@H+]1CC=C(CNC(=O)Nc2cnn(-c3ncc(Cl)cc3Cl)c2)CC1 ZINC000539458583 564220379 /nfs/dbraw/zinc/22/03/79/564220379.db2.gz JJSGNSTXYHXDHO-UHFFFAOYSA-N 1 0 381.267 2.958 20 0 GFADRO COc1cc(Br)c(C[NH2+]C[C@@H](CO)c2cccnc2)c(OC)c1 ZINC000564116950 564221308 /nfs/dbraw/zinc/22/13/08/564221308.db2.gz QQQSXUGIJRAUOZ-ZDUSSCGKSA-N 1 0 381.270 2.727 20 0 GFADRO C[N@H+](CC1CC1)C[C@H]1CCN(C[C@H](O)COc2ccc(Br)cc2)C1 ZINC000472451085 564223930 /nfs/dbraw/zinc/22/39/30/564223930.db2.gz VOKRORJGMMNLFU-AEFFLSMTSA-N 1 0 397.357 2.853 20 0 GFADRO COc1ccc(OC(F)(F)F)c(C(=O)N2C[C@H](SC)[C@@H]([NH+](C)C)C2)c1 ZINC000450266141 564224848 /nfs/dbraw/zinc/22/48/48/564224848.db2.gz OAVYANNTABHERD-JSGCOSHPSA-N 1 0 378.416 2.711 20 0 GFADRO O=C(NC1(c2cccc(Br)c2)CCOCC1)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000564212933 564224837 /nfs/dbraw/zinc/22/48/37/564224837.db2.gz ZDCTWBPCMNWVOE-DOTOQJQBSA-N 1 0 379.298 2.571 20 0 GFADRO O=C(CCC(=O)N1CC[C@H](N2CC[NH2+]CC2)C1)c1cc(Cl)sc1Cl ZINC000564207905 564224892 /nfs/dbraw/zinc/22/48/92/564224892.db2.gz RKFSVHIBOHYFOU-NSHDSACASA-N 1 0 390.336 2.524 20 0 GFADRO CCN(CC)C(=O)C[NH+]1CCC(C(=O)Nc2cccc(Br)c2)CC1 ZINC000507292662 564225381 /nfs/dbraw/zinc/22/53/81/564225381.db2.gz NQFFZOCOLONTFE-UHFFFAOYSA-N 1 0 396.329 2.968 20 0 GFADRO C[C@H]1C[C@H](C)C[NH+](CCCNS(=O)(=O)c2ccc(C(F)(F)F)cn2)C1 ZINC000472574967 564227312 /nfs/dbraw/zinc/22/73/12/564227312.db2.gz SNZPECVJXBPCKR-STQMWFEESA-N 1 0 379.448 2.747 20 0 GFADRO [NH3+][C@@H]1CCN(C(=O)NCCOc2ccc3cc(Br)ccc3c2)C1 ZINC000564308968 564227843 /nfs/dbraw/zinc/22/78/43/564227843.db2.gz VNNNMWVVJNGNES-OAHLLOKOSA-N 1 0 378.270 2.724 20 0 GFADRO O=C(CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)Nc1cccc(Br)c1 ZINC000539800386 564228426 /nfs/dbraw/zinc/22/84/26/564228426.db2.gz WRYKYFUGZRDBTN-MRXNPFEDSA-N 1 0 394.313 2.911 20 0 GFADRO CC(C)[N@H+](C)Cc1ccccc1CNS(=O)(=O)CCOCC(F)(F)F ZINC000564339409 564230196 /nfs/dbraw/zinc/23/01/96/564230196.db2.gz FPVXQWKAARAGGW-UHFFFAOYSA-N 1 0 382.448 2.525 20 0 GFADRO Cc1[nH]c(=O)c(Br)cc1C(=O)NCC[N@@H+](C)Cc1ccccc1 ZINC000507529012 564230571 /nfs/dbraw/zinc/23/05/71/564230571.db2.gz HDTPDMCEQPLOAB-UHFFFAOYSA-N 1 0 378.270 2.720 20 0 GFADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc(I)cc3F)[C@@H]2C1 ZINC000450489850 564234742 /nfs/dbraw/zinc/23/47/42/564234742.db2.gz RJJQRVBBCKRMQV-QMTHXVAHSA-N 1 0 388.224 2.597 20 0 GFADRO CCOC(=O)c1csc(NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)n1 ZINC000450494301 564235849 /nfs/dbraw/zinc/23/58/49/564235849.db2.gz KSHNGUFOMJBLSM-UHFFFAOYSA-N 1 0 377.432 3.537 20 0 GFADRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)C(=O)Nc1cc(F)ccc1Br ZINC000507631978 564236007 /nfs/dbraw/zinc/23/60/07/564236007.db2.gz PCZGEPTZEZOENE-DGCLKSJQSA-N 1 0 398.276 2.612 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)C(=O)N1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC000507631652 564236124 /nfs/dbraw/zinc/23/61/24/564236124.db2.gz NSBIIRVACPBLIK-HIFRSBDPSA-N 1 0 394.313 2.781 20 0 GFADRO C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)C1CCN(C(=O)c2ccc(Cl)s2)CC1 ZINC000540024954 564236995 /nfs/dbraw/zinc/23/69/95/564236995.db2.gz YAUVPQWFXJFXTF-QWHCGFSZSA-N 1 0 383.945 2.805 20 0 GFADRO C[C@@H]1[C@H](C)N(C(=O)C2CCN(C(=O)c3ccc(Cl)s3)CC2)CC[N@H+]1C ZINC000540024952 564237018 /nfs/dbraw/zinc/23/70/18/564237018.db2.gz YAUVPQWFXJFXTF-OLZOCXBDSA-N 1 0 383.945 2.805 20 0 GFADRO CC[NH+](CC)CC(=O)N1CCN(Cc2ccc(F)cc2Br)CC1 ZINC000507700842 564240461 /nfs/dbraw/zinc/24/04/61/564240461.db2.gz MWGCKQCFAHGUGW-UHFFFAOYSA-N 1 0 386.309 2.574 20 0 GFADRO C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+]C[C@@H](O)C1CCOCC1 ZINC000540181318 564240521 /nfs/dbraw/zinc/24/05/21/564240521.db2.gz FVLQLERNBFJGID-BLLLJJGKSA-N 1 0 385.302 2.543 20 0 GFADRO CC(C)[NH+]1CCC(C(=O)N(C)[C@H](C(N)=O)c2cccc(Br)c2)CC1 ZINC000450595730 564240904 /nfs/dbraw/zinc/24/09/04/564240904.db2.gz WCJQNTVBDRVDGY-INIZCTEOSA-N 1 0 396.329 2.554 20 0 GFADRO CCNC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2ccccc2I)C1 ZINC000540157905 564240995 /nfs/dbraw/zinc/24/09/95/564240995.db2.gz MNEOJQRZNLSXCU-NWDGAFQWSA-N 1 0 387.265 2.746 20 0 GFADRO O=C(N[C@H]1C[NH2+]CCC1(F)F)c1ccn(-c2ccc(Cl)cc2Cl)n1 ZINC000564654894 564243754 /nfs/dbraw/zinc/24/37/54/564243754.db2.gz AFWMYWPBVCVLPY-ZDUSSCGKSA-N 1 0 375.206 2.906 20 0 GFADRO O=C(C[N@@H+]1CCCC2(CC2)C1)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000473451475 564248074 /nfs/dbraw/zinc/24/80/74/564248074.db2.gz RZPQWHDOBWIBTG-UHFFFAOYSA-N 1 0 383.323 2.913 20 0 GFADRO CC(C)[NH2+]CCCNC(=O)C(=O)Nc1cc(F)c(Br)c(Cl)c1 ZINC000564784291 564248971 /nfs/dbraw/zinc/24/89/71/564248971.db2.gz QMUSOPNSVDMWMK-UHFFFAOYSA-N 1 0 394.672 2.684 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)[C@@H](C)NC(=O)c1ccc(Br)cc1 ZINC000473512515 564248962 /nfs/dbraw/zinc/24/89/62/564248962.db2.gz ZLCRLPPSFWTJAJ-CJNGLKHVSA-N 1 0 396.329 2.510 20 0 GFADRO Cc1cc2c(o1)c(C(=O)N[C@H](C)CN1CC[NH+](C)CC1)ccc2Br ZINC000473573414 564250135 /nfs/dbraw/zinc/25/01/35/564250135.db2.gz IUPNLUYKHRMRDS-GFCCVEGCSA-N 1 0 394.313 2.869 20 0 GFADRO CN(CCC[NH+](C)C)C(=O)c1cc(I)c(F)cc1F ZINC000540515558 564250550 /nfs/dbraw/zinc/25/05/50/564250550.db2.gz JQZMGWKERHXGLD-UHFFFAOYSA-N 1 0 382.192 2.593 20 0 GFADRO CS[C@H]1CN(Cc2ccc(I)cc2)C[C@H]1[NH+](C)C ZINC000540578563 564252402 /nfs/dbraw/zinc/25/24/02/564252402.db2.gz NXOIVMODSNQGIS-KGLIPLIRSA-N 1 0 376.307 2.769 20 0 GFADRO Cc1[nH]nc2ncc(C[NH2+]CCNC(=O)c3ccc(Br)cc3)cc12 ZINC000540574608 564252460 /nfs/dbraw/zinc/25/24/60/564252460.db2.gz JLOASVIUFIQIGS-UHFFFAOYSA-N 1 0 388.269 2.548 20 0 GFADRO O[C@@H](C[NH2+][C@@H]1CC[C@@H](O)CC1)COc1ccc(Cl)cc1Br ZINC000564857415 564252487 /nfs/dbraw/zinc/25/24/87/564252487.db2.gz LUWNBOTYXVCSOS-AVGNSLFASA-N 1 0 378.694 2.735 20 0 GFADRO COc1cc(C[NH2+][C@H]2CCCN(C)C2=O)cc(Br)c1OC(F)F ZINC000540607323 564252600 /nfs/dbraw/zinc/25/26/00/564252600.db2.gz OKKSIFXQQQRJPC-NSHDSACASA-N 1 0 393.228 2.770 20 0 GFADRO CN(C)C(=O)[C@@H]1CCC[C@@H]([NH2+]C[C@@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000564855862 564252719 /nfs/dbraw/zinc/25/27/19/564252719.db2.gz HRHXLBBWGLDALO-BPLDGKMQSA-N 1 0 389.323 2.970 20 0 GFADRO OCc1ccc(C[NH2+]C[C@H](O)COc2cccc(Br)c2)cc1F ZINC000564853028 564252943 /nfs/dbraw/zinc/25/29/43/564252943.db2.gz WOZVVSJCJBJTMC-HNNXBMFYSA-N 1 0 384.245 2.610 20 0 GFADRO COc1sc(C[NH2+]CCC2CCS(=O)(=O)CC2)cc1Br ZINC000540628137 564253450 /nfs/dbraw/zinc/25/34/50/564253450.db2.gz GSSOZWMITFHPLS-UHFFFAOYSA-N 1 0 382.345 2.824 20 0 GFADRO O=C(NCCCCC[NH+]1CCCC1)c1cc(I)c[nH]1 ZINC000508095436 564253519 /nfs/dbraw/zinc/25/35/19/564253519.db2.gz BPIJKNXHSKMSSI-UHFFFAOYSA-N 1 0 375.254 2.615 20 0 GFADRO [NH3+]C[C@H]1CCCC[C@]12NC(=O)N(CCOc1c(Cl)cccc1Cl)C2=O ZINC000564928961 564258445 /nfs/dbraw/zinc/25/84/45/564258445.db2.gz LOQOBCOLICKXPA-DIFFPNOSSA-N 1 0 386.279 2.812 20 0 GFADRO COc1ccc(Br)c(CC(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)c1 ZINC000564949316 564258891 /nfs/dbraw/zinc/25/88/91/564258891.db2.gz DZHWTVXBWJRXMT-FUHWJXTLSA-N 1 0 389.293 2.954 20 0 GFADRO COC(=O)C[C@](C)([NH2+]C[C@@H]1CCNC(=O)CC1)c1ccc(Br)cc1 ZINC000450990937 564260171 /nfs/dbraw/zinc/26/01/71/564260171.db2.gz VPQXONHKFGIJCN-UGSOOPFHSA-N 1 0 397.313 2.733 20 0 GFADRO O=S(=O)(c1ccc(Br)c(F)c1)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000564966388 564260135 /nfs/dbraw/zinc/26/01/35/564260135.db2.gz HZFUIZOYLQHBFS-RYUDHWBXSA-N 1 0 391.306 2.598 20 0 GFADRO Brc1cc2c(c(C[NH2+][C@@H]3CCC[C@@H]3[C@H]3COCCN3)c1)OCC2 ZINC000564988720 564260704 /nfs/dbraw/zinc/26/07/04/564260704.db2.gz OQAGSEPXIYSITN-GVDBMIGSSA-N 1 0 381.314 2.631 20 0 GFADRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1c1ncnc2ccc(I)cc21 ZINC000508385803 564262517 /nfs/dbraw/zinc/26/25/17/564262517.db2.gz IMZZLIIKEZRTCG-WDEREUQCSA-N 1 0 382.249 2.763 20 0 GFADRO C[NH+](C)C1(CNC(=O)CSc2nncn2-c2cccc(Cl)c2)CCC1 ZINC000474070649 564263477 /nfs/dbraw/zinc/26/34/77/564263477.db2.gz ACEJVSWOWDZBRX-UHFFFAOYSA-N 1 0 379.917 2.613 20 0 GFADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C)C1 ZINC000508437499 564263455 /nfs/dbraw/zinc/26/34/55/564263455.db2.gz XXUOIUTXVIIRAN-GFCCVEGCSA-N 1 0 381.322 2.741 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)CNC(=O)c2ccc(Br)cc2)C[C@@H]1C ZINC000474114642 564266097 /nfs/dbraw/zinc/26/60/97/564266097.db2.gz QRQMHWDPYKAWCU-XJKSGUPXSA-N 1 0 396.329 2.510 20 0 GFADRO NC(=O)[C@H]1CCCN1CCC[NH2+][C@@H]1CCCc2c(Br)cccc21 ZINC000541222903 564269410 /nfs/dbraw/zinc/26/94/10/564269410.db2.gz MPBOYGHLKUQVOZ-IAGOWNOFSA-N 1 0 380.330 2.756 20 0 GFADRO C[C@H](CNS(=O)(=O)c1cccc(Br)c1F)C[NH+]1CCCC1 ZINC000541247839 564270435 /nfs/dbraw/zinc/27/04/35/564270435.db2.gz ROBNYLUMJCHERP-LLVKDONJSA-N 1 0 379.295 2.598 20 0 GFADRO C[C@H](CNC(=O)c1cn2ccc(Br)cc2n1)[NH+]1CCC(C)CC1 ZINC000508721386 564271193 /nfs/dbraw/zinc/27/11/93/564271193.db2.gz WLWHSIIEKBTJBQ-CYBMUJFWSA-N 1 0 379.302 2.947 20 0 GFADRO [NH3+][C@H]1C[C@@H]2CN(Cc3nc(-c4cc(Cl)ccc4Cl)cs3)CCN2C1=O ZINC000565232858 564271774 /nfs/dbraw/zinc/27/17/74/564271774.db2.gz FMVSWRFBTUKUDL-RISCZKNCSA-N 1 0 397.331 2.861 20 0 GFADRO C[C@@]1(C[C@@H]2CCC[N@@H+]2Cc2cnc(-c3ccsc3)s2)NC(=O)NC1=O ZINC000565272459 564273913 /nfs/dbraw/zinc/27/39/13/564273913.db2.gz NWVSIKACSFYQMX-SJCJKPOMSA-N 1 0 376.507 2.824 20 0 GFADRO COc1ccc2nc(C[NH2+]Cc3ccc(NS(C)(=O)=O)cc3)sc2c1 ZINC000474358778 564276239 /nfs/dbraw/zinc/27/62/39/564276239.db2.gz BUDQAYPRVSBYOM-UHFFFAOYSA-N 1 0 377.491 2.966 20 0 GFADRO COC[C@]1(CNC(=O)N2Cc3cc(Br)ccc3C[C@@H]2C)CCC[NH2+]1 ZINC000565353415 564276548 /nfs/dbraw/zinc/27/65/48/564276548.db2.gz MIQVAJVMQFWSIM-SCLBCKFNSA-N 1 0 396.329 2.674 20 0 GFADRO C[NH+](C)CCOC1CCN(C(=O)c2cn3cc(Cl)cc(Cl)c3n2)CC1 ZINC000509043922 564279465 /nfs/dbraw/zinc/27/94/65/564279465.db2.gz NMDOLXNPSIXBHK-UHFFFAOYSA-N 1 0 385.295 2.824 20 0 GFADRO C[NH+](C)[C@]1(CNC(=O)N[C@H](CO)c2c(Cl)cccc2Cl)CCSC1 ZINC000474492853 564279779 /nfs/dbraw/zinc/27/97/79/564279779.db2.gz HEIKQTWEBZGAPY-CJNGLKHVSA-N 1 0 392.352 2.763 20 0 GFADRO C[C@@H](CCc1ccc(I)cc1)[NH2+]Cc1nnc2n1CCC2 ZINC000474469789 564280034 /nfs/dbraw/zinc/28/00/34/564280034.db2.gz HUJMZQVHFBDCAR-LBPRGKRZSA-N 1 0 396.276 2.940 20 0 GFADRO COC(=O)C[C@@H]1CC[C@@H]([NH2+]CCNC(=O)c2ccc(Br)cc2)[C@@H]1C ZINC000474626324 564283377 /nfs/dbraw/zinc/28/33/77/564283377.db2.gz DTLPWGLTBZAWNM-IVMMDQJWSA-N 1 0 397.313 2.746 20 0 GFADRO C[NH+](C)CCN(Cc1ccccn1)S(=O)(=O)Cc1c(F)cccc1Cl ZINC000451177625 564283625 /nfs/dbraw/zinc/28/36/25/564283625.db2.gz WWUDTRYLJOKSDE-UHFFFAOYSA-N 1 0 385.892 2.768 20 0 GFADRO C[C@H](NC(=O)c1ccc(Br)cc1)C(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000474642683 564284081 /nfs/dbraw/zinc/28/40/81/564284081.db2.gz YRQQZUBQHQOUEA-ZDUSSCGKSA-N 1 0 396.329 2.510 20 0 GFADRO COC[C@]1(C)CC[N@H+](CC(=O)N(C)CCOc2ccc(Br)cc2)C1 ZINC000451186113 564284661 /nfs/dbraw/zinc/28/46/61/564284661.db2.gz DHRKHHIDQCWMPD-GOSISDBHSA-N 1 0 399.329 2.645 20 0 GFADRO Cc1cc(C2CC[NH+](CCS(=O)(=O)N(C)C)CC2)ccc1Br ZINC000509178296 564285198 /nfs/dbraw/zinc/28/51/98/564285198.db2.gz KFEZPFDVEVNMTF-UHFFFAOYSA-N 1 0 389.359 2.828 20 0 GFADRO CCO[C@H](CC[NH+](C)C)CNS(=O)(=O)c1ccc(C(F)(F)F)cc1C ZINC000509177227 564285260 /nfs/dbraw/zinc/28/52/60/564285260.db2.gz FELGZILNLKLXNF-CQSZACIVSA-N 1 0 382.448 2.649 20 0 GFADRO C[C@H](C(=O)N(C)C)[N@@H+]1CC[C@@H](Cc2cccc(I)c2)C1 ZINC000451197022 564286581 /nfs/dbraw/zinc/28/65/81/564286581.db2.gz XSERJNDZMISBDI-OCCSQVGLSA-N 1 0 386.277 2.632 20 0 GFADRO CSc1cccc(S(=O)(=O)NCC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000509205685 564286829 /nfs/dbraw/zinc/28/68/29/564286829.db2.gz MYSFLTFXMJAMAK-UHFFFAOYSA-N 1 0 377.535 2.998 20 0 GFADRO CN(C(=O)c1cc(I)ccc1F)[C@@H]1C[NH+]2CCC1CC2 ZINC000474739890 564287682 /nfs/dbraw/zinc/28/76/82/564287682.db2.gz ADPLIZSUDQUGBV-CQSZACIVSA-N 1 0 388.224 2.597 20 0 GFADRO Brc1ccc(C[NH2+]CCN2C[C@H]3CC[C@@H](C2)O3)c2ncccc12 ZINC000451219925 564288344 /nfs/dbraw/zinc/28/83/44/564288344.db2.gz FNGCHHJNUQEQNH-GASCZTMLSA-N 1 0 376.298 2.950 20 0 GFADRO O[C@H](C[NH2+]Cc1ccc(OC(F)(F)F)c(Br)c1)[C@@H]1CCOC1 ZINC000474801148 564290225 /nfs/dbraw/zinc/29/02/25/564290225.db2.gz KHQIWCXEIFNBMJ-ZYHUDNBSSA-N 1 0 384.192 2.835 20 0 GFADRO O[C@@H](C[NH2+]Cc1ccc(OC(F)(F)F)c(Br)c1)[C@H]1CCOC1 ZINC000474801146 564290537 /nfs/dbraw/zinc/29/05/37/564290537.db2.gz KHQIWCXEIFNBMJ-JQWIXIFHSA-N 1 0 384.192 2.835 20 0 GFADRO C[C@@H](CNC(=O)c1cc(I)ccc1F)[N@H+](C)C1CC1 ZINC000474853749 564291380 /nfs/dbraw/zinc/29/13/80/564291380.db2.gz QSFVCOIPRZWWHN-VIFPVBQESA-N 1 0 376.213 2.643 20 0 GFADRO C[C@@H]1C[C@H](N(C)S(=O)(=O)Cc2ccc(Br)c(F)c2)CC[N@@H+]1C ZINC000451242734 564291514 /nfs/dbraw/zinc/29/15/14/564291514.db2.gz OEYJSLAUOKYTKZ-DGCLKSJQSA-N 1 0 393.322 2.833 20 0 GFADRO CC[C@@H]1[C@H](CO)CC[N@@H+]1CC(=O)N(C)Cc1cc(Br)cs1 ZINC000451260876 564293286 /nfs/dbraw/zinc/29/32/86/564293286.db2.gz VCWWUCCQHMHJHO-SMDDNHRTSA-N 1 0 375.332 2.562 20 0 GFADRO C[N@@H+]1CC[C@@](O)(CNCc2ccc(OC(F)(F)F)c(Br)c2)C1 ZINC000474933570 564293709 /nfs/dbraw/zinc/29/37/09/564293709.db2.gz XKXNBRXHUFWGBD-CYBMUJFWSA-N 1 0 383.208 2.504 20 0 GFADRO COC(=O)[C@@H]1Cc2c(Br)cccc2CN1CC[C@H]1CCC[N@@H+]1C ZINC000451279000 564295126 /nfs/dbraw/zinc/29/51/26/564295126.db2.gz PXKNEKFZVGOANF-PBHICJAKSA-N 1 0 381.314 2.833 20 0 GFADRO CCOc1ccc(C[NH2+]CCNS(=O)(=O)c2ccc(F)cc2Cl)cc1 ZINC000509405017 564296517 /nfs/dbraw/zinc/29/65/17/564296517.db2.gz YGVXJWCTGIKPRH-UHFFFAOYSA-N 1 0 386.876 2.946 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)c2cc(I)ccc2F)CC[N@@H+]1C ZINC000474978861 564296597 /nfs/dbraw/zinc/29/65/97/564296597.db2.gz NKRQPYCJJLKXKS-MWLCHTKSSA-N 1 0 376.213 2.643 20 0 GFADRO C[NH+]1CCC(CCNC(=O)N[C@H](CCO)c2ccccc2Br)CC1 ZINC000541966235 564296774 /nfs/dbraw/zinc/29/67/74/564296774.db2.gz VPQHRZIPYXFQHF-QGZVFWFLSA-N 1 0 398.345 2.904 20 0 GFADRO O=C(NCCC[NH+]1CCCCC1)NCCOc1ncc(Cl)cc1Cl ZINC000475012022 564297712 /nfs/dbraw/zinc/29/77/12/564297712.db2.gz DPWJDQSTPVQBFT-UHFFFAOYSA-N 1 0 375.300 2.942 20 0 GFADRO Cc1nc(C)c(C[NH2+]CCNS(=O)(=O)c2ccc(F)cc2Cl)s1 ZINC000509409001 564297850 /nfs/dbraw/zinc/29/78/50/564297850.db2.gz CPSWYTGDDCGXFK-UHFFFAOYSA-N 1 0 377.894 2.621 20 0 GFADRO CCS(=O)(=O)NCCC[NH+]1CCC(c2nc(C(F)(F)F)cs2)CC1 ZINC000451297842 564297975 /nfs/dbraw/zinc/29/79/75/564297975.db2.gz VANCZSYWQJGITD-UHFFFAOYSA-N 1 0 385.477 2.671 20 0 GFADRO Cn1cc(CN2C[C@@H](F)C[C@H]2C[NH2+]Cc2csc(Br)c2)cn1 ZINC000475038962 564298181 /nfs/dbraw/zinc/29/81/81/564298181.db2.gz FMYWNJSIYIGZJO-KBPBESRZSA-N 1 0 387.322 2.946 20 0 GFADRO CC(C)[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)N1CC[N@H+](C)C[C@@H]1C(C)C ZINC000509430550 564298198 /nfs/dbraw/zinc/29/81/98/564298198.db2.gz MDLJELNMRQPTLI-CZUORRHYSA-N 1 0 385.961 2.955 20 0 GFADRO Cn1cc(CN2C[C@@H](F)C[C@H]2C[NH2+]Cc2cccc(Br)c2)cn1 ZINC000475044212 564298353 /nfs/dbraw/zinc/29/83/53/564298353.db2.gz CIOTZBJCFFWFDI-IRXDYDNUSA-N 1 0 381.293 2.885 20 0 GFADRO [NH3+]C[C@H]1CC[C@H](CNS(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)CC1 ZINC000565833734 564298723 /nfs/dbraw/zinc/29/87/23/564298723.db2.gz QMYBWJPCRGSSKU-XYPYZODXSA-N 1 0 382.860 2.985 20 0 GFADRO COCC[NH2+]C1CCN(C(=O)c2cc3ccc(Br)cc3[nH]2)CC1 ZINC000565840885 564299065 /nfs/dbraw/zinc/29/90/65/564299065.db2.gz UCBCUYRNTMBQFO-UHFFFAOYSA-N 1 0 380.286 2.771 20 0 GFADRO CCOC(=O)[C@](C)(O)C[NH+]1CCC(Oc2cccc(Br)c2)CC1 ZINC000475101136 564299592 /nfs/dbraw/zinc/29/95/92/564299592.db2.gz MFNVUCAXGXODPN-QGZVFWFLSA-N 1 0 386.286 2.606 20 0 GFADRO COC(=O)[C@@H]1CC[N@H+](Cc2ccc(Br)cc2N2CCOCC2)[C@H]1C ZINC000475126931 564300580 /nfs/dbraw/zinc/30/05/80/564300580.db2.gz AGUOMGVDPVQVIX-XJKSGUPXSA-N 1 0 397.313 2.669 20 0 GFADRO CC(C)[NH+]1CCC(N2CCN(S(=O)(=O)c3sccc3Cl)CC2)CC1 ZINC000451332833 564300877 /nfs/dbraw/zinc/30/08/77/564300877.db2.gz IUVNPWGDOAWNDI-UHFFFAOYSA-N 1 0 391.990 2.581 20 0 GFADRO CC(C)[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000509478399 564301154 /nfs/dbraw/zinc/30/11/54/564301154.db2.gz VEFCOOHOLYOIMC-CZUORRHYSA-N 1 0 383.945 2.851 20 0 GFADRO CS(=O)(=O)c1cc(NC(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)ccc1Cl ZINC000565939373 564303512 /nfs/dbraw/zinc/30/35/12/564303512.db2.gz QXQILCCQINMOCA-CYBMUJFWSA-N 1 0 385.917 2.597 20 0 GFADRO CS[C@@H]1CN(S(=O)(=O)c2cccc3c(Cl)ccnc32)C[C@H]1[NH+](C)C ZINC000451356820 564304878 /nfs/dbraw/zinc/30/48/78/564304878.db2.gz XOAIXKQQYUEYTQ-ZIAGYGMSSA-N 1 0 385.942 2.554 20 0 GFADRO C[C@H]1C[N@H+](C)[C@@H](C)CN1C(=O)Cc1csc(NC(=O)c2cccs2)n1 ZINC000509637701 564307179 /nfs/dbraw/zinc/30/71/79/564307179.db2.gz WFERXIFTXQLUEP-RYUDHWBXSA-N 1 0 378.523 2.550 20 0 GFADRO CCOc1cc(C[NH2+]CC2(S(C)(=O)=O)CC2)ccc1OCC(F)(F)F ZINC000475431268 564307873 /nfs/dbraw/zinc/30/78/73/564307873.db2.gz UAVPFOHDUFPFIN-UHFFFAOYSA-N 1 0 381.416 2.693 20 0 GFADRO [NH3+]Cc1cn([C@@H]2CCCN(C(=O)CCSc3ccc(Cl)cc3)C2)nn1 ZINC000566093264 564308508 /nfs/dbraw/zinc/30/85/08/564308508.db2.gz IDOLDVFNRZNMOB-OAHLLOKOSA-N 1 0 379.917 2.736 20 0 GFADRO [NH3+][C@H]1CCC[C@H](CNC(=O)c2cnn(-c3ccc(Br)cc3)c2)C1 ZINC000566102764 564309483 /nfs/dbraw/zinc/30/94/83/564309483.db2.gz OQCPGCAEIPESGW-WFASDCNBSA-N 1 0 377.286 2.882 20 0 GFADRO O[C@H](C[NH2+]Cc1cc(Br)ccc1Br)Cn1cccn1 ZINC000566131551 564312070 /nfs/dbraw/zinc/31/20/70/564312070.db2.gz NHRMMJVYVKZTHO-GFCCVEGCSA-N 1 0 389.091 2.559 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)[C@@H]1C ZINC000509773319 564312695 /nfs/dbraw/zinc/31/26/95/564312695.db2.gz SSOVKRNSRRQOCG-BBRMVZONSA-N 1 0 394.313 2.781 20 0 GFADRO CC(C)C[C@H]([NH2+]CC(=O)Nc1ccc(S(N)(=O)=O)cc1)c1cccs1 ZINC000542555197 564318661 /nfs/dbraw/zinc/31/86/61/564318661.db2.gz ARIVVFCTWOVDEP-HNNXBMFYSA-N 1 0 381.523 2.711 20 0 GFADRO Cn1ncc(Br)c1C(=O)N[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000566319521 564322852 /nfs/dbraw/zinc/32/28/52/564322852.db2.gz GLYHJOWHMKBNJY-QGZVFWFLSA-N 1 0 377.286 2.577 20 0 GFADRO CCCOc1c(Cl)cc(C[NH2+][C@H]2CCN(S(C)(=O)=O)C2)cc1OCC ZINC000566341209 564324096 /nfs/dbraw/zinc/32/40/96/564324096.db2.gz OYRBQJNZSWDRQD-AWEZNQCLSA-N 1 0 390.933 2.651 20 0 GFADRO Cc1nc2ccc(Br)cn2c1C(=O)N(C)[C@@H]1C[NH+]2CCC1CC2 ZINC000475929370 564324811 /nfs/dbraw/zinc/32/48/11/564324811.db2.gz GMSDNWWLZUSDRP-CQSZACIVSA-N 1 0 377.286 2.571 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)C(=O)c1ccc(Br)cc1)Cc1ccccc1 ZINC000510106670 564325316 /nfs/dbraw/zinc/32/53/16/564325316.db2.gz QUXCVSDGLJAZJY-KRWDZBQOSA-N 1 0 389.293 2.921 20 0 GFADRO CO[C@@H]1CC[N@H+](C[C@H](O)COc2cc(F)cc(Br)c2)C[C@@H]1C ZINC000451568715 564326370 /nfs/dbraw/zinc/32/63/70/564326370.db2.gz OBCJGRWCJHEVHR-HZUKXOBISA-N 1 0 376.266 2.685 20 0 GFADRO C[C@H](C(=O)NC[C@@H]1CCCO1)N1CC[C@H](c2cccc(Br)c2)C1 ZINC000451570306 564326661 /nfs/dbraw/zinc/32/66/61/564326661.db2.gz POSLIBKUPPJCJI-KMFMINBZSA-N 1 0 381.314 2.922 20 0 GFADRO CO[C@@H]1CC[N@H+](C[C@H](O)COc2cc(F)cc(Br)c2)C[C@H]1C ZINC000451568713 564326908 /nfs/dbraw/zinc/32/69/08/564326908.db2.gz OBCJGRWCJHEVHR-DIOULYMOSA-N 1 0 376.266 2.685 20 0 GFADRO CCC(C)(C)[NH2+][C@@H](C)C(=O)NCCCNC(=O)c1ccc(Br)cc1 ZINC000476101241 564328130 /nfs/dbraw/zinc/32/81/30/564328130.db2.gz VXYRGKGSINEWDA-ZDUSSCGKSA-N 1 0 398.345 2.852 20 0 GFADRO CN(Cc1ccccc1Br)C(=O)C[NH2+][C@@H]([C@@H](CO)C1CC1)C1CC1 ZINC000451589951 564329440 /nfs/dbraw/zinc/32/94/40/564329440.db2.gz LPEHYAYNJVNVDK-QFBILLFUSA-N 1 0 395.341 2.794 20 0 GFADRO C[C@@H](C(=O)N1CCN(c2ccc(Br)cn2)CC1)[NH+]1CCCCCC1 ZINC000510315327 564330261 /nfs/dbraw/zinc/33/02/61/564330261.db2.gz KLBTVTDKUYGSRE-HNNXBMFYSA-N 1 0 395.345 2.757 20 0 GFADRO COC(=O)[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](O)COc1ccc(Br)cc1 ZINC000451604367 564330322 /nfs/dbraw/zinc/33/03/22/564330322.db2.gz YPYSAMFUXYFKJK-BMFZPTHFSA-N 1 0 386.286 2.510 20 0 GFADRO C[C@@H](CNC(=O)N[C@H](CCO)c1ccccc1Br)[N@H+](C)C1CC1 ZINC000542897666 564330528 /nfs/dbraw/zinc/33/05/28/564330528.db2.gz JQZLWNNPQRUITB-BLLLJJGKSA-N 1 0 384.318 2.655 20 0 GFADRO CC[C@H](C)[NH2+][C@@H](CNS(=O)(=O)c1ccsc1C(=O)OC)c1ccco1 ZINC000510371537 564330834 /nfs/dbraw/zinc/33/08/34/564330834.db2.gz BJWRBINFNFEENH-RYUDHWBXSA-N 1 0 386.495 2.535 20 0 GFADRO CCCN(CC[NH+]1CCCCC1)S(=O)(=O)c1cncc(Br)c1 ZINC000510485149 564335482 /nfs/dbraw/zinc/33/54/82/564335482.db2.gz ISNBHQNNHXZGQF-UHFFFAOYSA-N 1 0 390.347 2.731 20 0 GFADRO C[C@H]([NH3+])C[C@H](C)NC(=O)Nc1cc(F)c(F)cc1I ZINC000566620129 564335615 /nfs/dbraw/zinc/33/56/15/564335615.db2.gz NSAANSMWAUFIAE-BQBZGAKWSA-N 1 0 383.180 2.817 20 0 GFADRO C[C@@H]1CN(Cc2ncc(-c3ccccc3Br)o2)C[C@H](C)[N@H+]1CCO ZINC000451654807 564336039 /nfs/dbraw/zinc/33/60/39/564336039.db2.gz QBSNFSBGEMRTJQ-OKILXGFUSA-N 1 0 394.313 2.991 20 0 GFADRO C[C@@H]1CN(Cc2nnc(-c3c(Cl)cccc3Cl)o2)C[C@H](C)[N@H+]1CCO ZINC000451653710 564336105 /nfs/dbraw/zinc/33/61/05/564336105.db2.gz NAXYQBMLYDEEHO-TXEJJXNPSA-N 1 0 385.295 2.930 20 0 GFADRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1S(=O)(=O)c1ccc(OC(F)F)c(F)c1 ZINC000510517208 564336753 /nfs/dbraw/zinc/33/67/53/564336753.db2.gz HAAVSXVPOWWBLM-VXGBXAGGSA-N 1 0 378.416 2.674 20 0 GFADRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(Br)cc2-n2cncn2)C1 ZINC000566663053 564337072 /nfs/dbraw/zinc/33/70/72/564337072.db2.gz DIOBAROCMKTQPI-AWEZNQCLSA-N 1 0 392.301 2.585 20 0 GFADRO C[C@H](Cc1ccsc1)[NH+]1CCC(N(CC(F)(F)F)S(C)(=O)=O)CC1 ZINC000543079847 564337199 /nfs/dbraw/zinc/33/71/99/564337199.db2.gz QYVUKVLHKPLXIX-GFCCVEGCSA-N 1 0 384.489 2.967 20 0 GFADRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1S(=O)(=O)c1cccc(OC(F)(F)F)c1 ZINC000510537256 564337786 /nfs/dbraw/zinc/33/77/86/564337786.db2.gz HNAJTCLMWFPHOH-OLZOCXBDSA-N 1 0 378.416 2.833 20 0 GFADRO CS[C@H]1CN(C(=O)c2c(C)nc3ccc(Br)cn32)C[C@H]1[NH+](C)C ZINC000476459640 564340876 /nfs/dbraw/zinc/34/08/76/564340876.db2.gz OFEDTHSDYHCAQA-OLZOCXBDSA-N 1 0 397.342 2.523 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)CNC(=O)c2sc3ccccc3c2Cl)C1 ZINC000566736706 564341046 /nfs/dbraw/zinc/34/10/46/564341046.db2.gz NQAQGNNBBJCGDN-RYUDHWBXSA-N 1 0 379.913 2.870 20 0 GFADRO C[N@@H+]1CCC[C@H](CNS(=O)(=O)c2ccc(Cl)cc2Br)C1 ZINC000543249867 564344984 /nfs/dbraw/zinc/34/49/84/564344984.db2.gz WQHDIGJECQSRCH-SNVBAGLBSA-N 1 0 381.723 2.723 20 0 GFADRO COC(=O)c1csc(S(=O)(=O)NC(C)(C)CC[NH+]2CCCCCC2)c1 ZINC000476600072 564347353 /nfs/dbraw/zinc/34/73/53/564347353.db2.gz JHRIPYHRYNVCBN-UHFFFAOYSA-N 1 0 388.555 2.858 20 0 GFADRO C[C@@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)Cc1cc(-n2ccnc2)cs1 ZINC000543396551 564349058 /nfs/dbraw/zinc/34/90/58/564349058.db2.gz SDMXQXONQOPYPF-ZDUSSCGKSA-N 1 0 376.507 2.774 20 0 GFADRO COc1ccc(S(=O)(=O)N2CCC([NH2+]C[C@H]3CCCCS3)CC2)cc1 ZINC000543414227 564349524 /nfs/dbraw/zinc/34/95/24/564349524.db2.gz QLKALJRPIWNDBA-QGZVFWFLSA-N 1 0 384.567 2.724 20 0 GFADRO CC(C)([NH2+]CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl)c1cccs1 ZINC000543498946 564352186 /nfs/dbraw/zinc/35/21/86/564352186.db2.gz HCGMXEIYQWFABO-UHFFFAOYSA-N 1 0 387.914 2.512 20 0 GFADRO CC(C)([NH2+]CC(=O)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1)c1cccs1 ZINC000543502063 564352490 /nfs/dbraw/zinc/35/24/90/564352490.db2.gz ICGJMHKEGPQRSB-HNNXBMFYSA-N 1 0 384.567 2.531 20 0 GFADRO C[NH+](C)CCN(C(=O)c1cc(F)ccc1I)C1CC1 ZINC000476822547 564354570 /nfs/dbraw/zinc/35/45/70/564354570.db2.gz LKPMPPFSSSNPSK-UHFFFAOYSA-N 1 0 376.213 2.597 20 0 GFADRO C[C@@H](O)C[N@@H+]1CCN(C(=O)CCCc2ccccc2Br)[C@@H](C)C1 ZINC000476869949 564356545 /nfs/dbraw/zinc/35/65/45/564356545.db2.gz MXAXGCOZZRKNMQ-LSDHHAIUSA-N 1 0 383.330 2.685 20 0 GFADRO FC(F)[C@@H]1C[NH2+]CCN1Cc1nc(-c2cc(Br)cs2)no1 ZINC000567111182 564358321 /nfs/dbraw/zinc/35/83/21/564358321.db2.gz MEVNNOJLHAXFEJ-QMMMGPOBSA-N 1 0 379.230 2.600 20 0 GFADRO CN(C[C@H]1CCCN(Cc2ccc(F)cc2Br)C1)S(C)(=O)=O ZINC000511137434 564359714 /nfs/dbraw/zinc/35/97/14/564359714.db2.gz MMPJZIFBEJPDKM-GFCCVEGCSA-N 1 0 393.322 2.692 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(S(=O)(=O)c3cc(Cl)c(Br)cc3F)C[C@@H]21 ZINC000451876309 564361492 /nfs/dbraw/zinc/36/14/92/564361492.db2.gz FDQLTGRGVWHYEP-PELKAZGASA-N 1 0 397.697 2.566 20 0 GFADRO COc1cc(Br)cc(S(=O)(=O)NC(C)(C)CCC[NH+](C)C)c1 ZINC000451896610 564363618 /nfs/dbraw/zinc/36/36/18/564363618.db2.gz VDUFDTXQFNXVKS-UHFFFAOYSA-N 1 0 393.347 2.856 20 0 GFADRO O=S(=O)(c1cc(Br)ccc1F)N1CCC2(CC[NH2+]CC2)CC1 ZINC000567268565 564363918 /nfs/dbraw/zinc/36/39/18/564363918.db2.gz HIIYHMWVOUKHGU-UHFFFAOYSA-N 1 0 391.306 2.743 20 0 GFADRO CCOc1cc(Br)c(F)cc1NC(=O)NCCOCC[NH+](C)C ZINC000567285012 564365039 /nfs/dbraw/zinc/36/50/39/564365039.db2.gz NBICABFROTVDQA-UHFFFAOYSA-N 1 0 392.269 2.687 20 0 GFADRO OCC[C@H]([NH2+]C[C@@H](O)COc1ccccc1)c1ccccc1Br ZINC000543810899 564365190 /nfs/dbraw/zinc/36/51/90/564365190.db2.gz MCLLISQQVMUFLO-KDOFPFPSSA-N 1 0 380.282 2.902 20 0 GFADRO OC[C@H]([NH2+]C[C@H](O)COCc1cccs1)c1ccc(Br)cc1 ZINC000543837770 564366024 /nfs/dbraw/zinc/36/60/24/564366024.db2.gz FHDYHCFJRUKRQZ-HOCLYGCPSA-N 1 0 386.311 2.711 20 0 GFADRO O[C@@]1(CNCc2ncc(Br)s2)CC[N@H+](Cc2ccccc2)C1 ZINC000543850295 564366939 /nfs/dbraw/zinc/36/69/39/564366939.db2.gz MLZDRUIPTAAADI-MRXNPFEDSA-N 1 0 382.327 2.632 20 0 GFADRO O=C(C[C@H]1COCC[NH2+]1)Nc1nc(-c2ccccc2)c(Br)s1 ZINC000567350468 564368063 /nfs/dbraw/zinc/36/80/63/564368063.db2.gz IZHKUULDUPWQJX-NSHDSACASA-N 1 0 382.283 2.890 20 0 GFADRO CN(CCC[NH+](C)C)C(=O)c1ccc2cc(I)ccc2n1 ZINC000567434495 564372168 /nfs/dbraw/zinc/37/21/68/564372168.db2.gz GEGFMOJKQJAXSR-UHFFFAOYSA-N 1 0 397.260 2.863 20 0 GFADRO CS(=O)(=O)N1CCC([NH2+][C@@H]2CCCc3c(Br)cccc32)CC1 ZINC000544033383 564372326 /nfs/dbraw/zinc/37/23/26/564372326.db2.gz UAKXSBDKRKTWOV-MRXNPFEDSA-N 1 0 387.343 2.840 20 0 GFADRO C[C@@H]1CC[NH2+][C@@H](C(=O)NC[C@H]2CCN(c3cccc(Br)c3)C2)C1 ZINC000567504092 564374843 /nfs/dbraw/zinc/37/48/43/564374843.db2.gz AOCUNHYROGZULG-CKEIUWERSA-N 1 0 380.330 2.780 20 0 GFADRO C[C@@H](CNC(=O)c1ccc(F)c(I)c1)C[NH+]1CCCC1 ZINC000477432818 564377013 /nfs/dbraw/zinc/37/70/13/564377013.db2.gz BIGMNRDZZKRQBE-NSHDSACASA-N 1 0 390.240 2.892 20 0 GFADRO CCc1cnc(C[NH2+]C2CCN(S(=O)(=O)Cc3ccccc3)CC2)s1 ZINC000544174033 564377783 /nfs/dbraw/zinc/37/77/83/564377783.db2.gz ICASFDSTDNTTAG-UHFFFAOYSA-N 1 0 379.551 2.790 20 0 GFADRO C[N@H+](C[C@H](O)COc1ccc(Cl)cc1Br)[C@@H]1CCC[C@H]1O ZINC000511609004 564377865 /nfs/dbraw/zinc/37/78/65/564377865.db2.gz FNCSPPCMORSMLE-IACUBPJLSA-N 1 0 378.694 2.687 20 0 GFADRO Cc1ncc(C[NH2+]Cc2cc(Br)c3c(c2)OCCCO3)c(=O)[nH]1 ZINC000544181234 564378144 /nfs/dbraw/zinc/37/81/44/564378144.db2.gz HYLGXZUITRHGRU-UHFFFAOYSA-N 1 0 380.242 2.704 20 0 GFADRO O=S1(=O)CCCC[C@@H]1C[NH2+]Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000544179498 564378307 /nfs/dbraw/zinc/37/83/07/564378307.db2.gz GNTGMQXQRCNIJO-MRXNPFEDSA-N 1 0 398.326 2.692 20 0 GFADRO COC[C@]1(CNC(=O)[C@H](C)Cc2ccc(F)c(Br)c2)CCC[NH2+]1 ZINC000567580900 564378828 /nfs/dbraw/zinc/37/88/28/564378828.db2.gz AVKIJRVWNGBDBA-SJKOYZFVSA-N 1 0 387.293 2.652 20 0 GFADRO Cc1c(I)cccc1C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000567672760 564382362 /nfs/dbraw/zinc/38/23/62/564382362.db2.gz ISEJBOZORKQUMN-INIZCTEOSA-N 1 0 384.261 2.815 20 0 GFADRO C[C@@H]1[C@H](NC(=O)C(=O)Nc2cc(Cl)cc(C(F)(F)F)c2)CCC[N@@H+]1C ZINC000477643273 564382790 /nfs/dbraw/zinc/38/27/90/564382790.db2.gz KMMABDBGQXKSLW-NOZJJQNGSA-N 1 0 377.794 2.896 20 0 GFADRO COCCN1CC[C@@H]([NH2+][C@H](C)c2cc3c(cc2Br)OCCO3)C1 ZINC000544350406 564382887 /nfs/dbraw/zinc/38/28/87/564382887.db2.gz BILHZKMBNJGBFI-CHWSQXEVSA-N 1 0 385.302 2.592 20 0 GFADRO C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)COc2cc(F)cc(Br)c2)CN1C1CC1 ZINC000567685024 564382968 /nfs/dbraw/zinc/38/29/68/564382968.db2.gz UDKLJOYXXKFPNY-DJSGYFEHSA-N 1 0 387.293 2.543 20 0 GFADRO CCOC(=O)CC[C@@H](O)C[NH2+][C@H](C)Cc1cc(Br)ccc1F ZINC000567685638 564382992 /nfs/dbraw/zinc/38/29/92/564382992.db2.gz HHLWGGYRSWMAGP-BXUZGUMPSA-N 1 0 376.266 2.813 20 0 GFADRO C[NH2+]C[C@@H]1CCCN1C(=O)Nc1ccc(-c2ccc(Br)s2)nn1 ZINC000567712037 564384644 /nfs/dbraw/zinc/38/46/44/564384644.db2.gz CQNUERZQFBJLPM-JTQLQIEISA-N 1 0 396.314 3.183 20 0 GFADRO COc1cc(NC(=O)[C@@H]([NH2+]C2CCOCC2)C(C)C)ncc1Br ZINC000477790157 564388192 /nfs/dbraw/zinc/38/81/92/564388192.db2.gz AMMWBOWZFIDGFM-HNNXBMFYSA-N 1 0 386.290 2.584 20 0 GFADRO CC(C)(C[NH+]1CCCC1)NS(=O)(=O)Cc1ccc(Br)c(F)c1 ZINC000452087208 564389326 /nfs/dbraw/zinc/38/93/26/564389326.db2.gz MIGOGNLZZPVZPY-UHFFFAOYSA-N 1 0 393.322 2.882 20 0 GFADRO Ic1cnc(C[NH2+]CCc2cnc(C3CC3)nc2)s1 ZINC000512050844 564390245 /nfs/dbraw/zinc/39/02/45/564390245.db2.gz DVSZUVQUWNMAGI-UHFFFAOYSA-N 1 0 386.262 2.747 20 0 GFADRO C[C@@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH2+]CC1(CO)COC1 ZINC000512054051 564390434 /nfs/dbraw/zinc/39/04/34/564390434.db2.gz UOBCAWQUWJGCJO-JTQLQIEISA-N 1 0 380.794 2.674 20 0 GFADRO Cc1nn(Cc2cccc(Br)c2)c(C)c1C(=O)NCC1([NH3+])CCC1 ZINC000567815346 564390804 /nfs/dbraw/zinc/39/08/04/564390804.db2.gz ULSWONFIFRAFPH-UHFFFAOYSA-N 1 0 391.313 2.922 20 0 GFADRO COc1cnccc1[C@H](C)NC(=O)[C@@](C)([NH3+])c1ccc(Br)cc1 ZINC000567824724 564391112 /nfs/dbraw/zinc/39/11/12/564391112.db2.gz BMAOHCAQBBHYLR-GTNSWQLSSA-N 1 0 378.270 2.904 20 0 GFADRO [NH3+][C@@H]1CCC[C@H](CNC(=O)[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C1 ZINC000567845158 564391718 /nfs/dbraw/zinc/39/17/18/564391718.db2.gz MQNCBMVNKBSQKI-OUCADQQQSA-N 1 0 384.307 2.980 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)CCc2nc3cc(Br)ccc3s2)CCCO1 ZINC000567843288 564391907 /nfs/dbraw/zinc/39/19/07/564391907.db2.gz UQQZNJDBZHMSES-GFCCVEGCSA-N 1 0 398.326 2.568 20 0 GFADRO C[C@H]([NH2+]Cc1ncc(I)s1)[C@@H](O)Cc1ccccc1 ZINC000512085020 564391867 /nfs/dbraw/zinc/39/18/67/564391867.db2.gz ZWUDBSUZMZPXNM-JQWIXIFHSA-N 1 0 388.274 2.829 20 0 GFADRO COc1ccc(CCC(=O)N[C@@H]2C[NH2+]CCC2(F)F)cc1Br ZINC000567846886 564392043 /nfs/dbraw/zinc/39/20/43/564392043.db2.gz VSIKZUOHYHBTSJ-CYBMUJFWSA-N 1 0 377.229 2.504 20 0 GFADRO [NH3+][C@H]1CCC[C@H](CNS(=O)(=O)c2cccc(Cl)c2Br)C1 ZINC000567862191 564392981 /nfs/dbraw/zinc/39/29/81/564392981.db2.gz RMDXBUUYEBOFTL-UWVGGRQHSA-N 1 0 381.723 2.898 20 0 GFADRO CC(C)[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2ccc(OCC(F)(F)F)cc2)C1 ZINC000452103586 564393134 /nfs/dbraw/zinc/39/31/34/564393134.db2.gz KWLXCDXDDSPZPP-ZDUSSCGKSA-N 1 0 380.432 2.731 20 0 GFADRO CC(C)[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2ccc(F)c(Br)c2)C1 ZINC000452109118 564393891 /nfs/dbraw/zinc/39/38/91/564393891.db2.gz XGMBOSBRQGZRGZ-LLVKDONJSA-N 1 0 379.295 2.691 20 0 GFADRO CC(C)[C@H](O)C(C)(C)C[NH2+]C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000567872623 564393949 /nfs/dbraw/zinc/39/39/49/564393949.db2.gz CFMWQUOJNKCOGG-HOCLYGCPSA-N 1 0 392.309 2.961 20 0 GFADRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)CCCOc1ccc(I)cc1 ZINC000567925935 564396741 /nfs/dbraw/zinc/39/67/41/564396741.db2.gz YEJJJUZNHGIZCG-VXGBXAGGSA-N 1 0 390.265 2.692 20 0 GFADRO CN1C(=O)C[C@@H](C(=O)N2CCC[N@H+](C)CC2)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000478231230 564397664 /nfs/dbraw/zinc/39/76/64/564397664.db2.gz QHBFJKZRCBVSGC-DYVFJYSZSA-N 1 0 384.307 2.677 20 0 GFADRO CC[NH+](CC)CCCNC(=O)N(CCO)Cc1ccc(Br)s1 ZINC000478437813 564402099 /nfs/dbraw/zinc/40/20/99/564402099.db2.gz VWFSSLUQEMLRRQ-UHFFFAOYSA-N 1 0 392.363 2.746 20 0 GFADRO CCN(C(=O)Cn1cc(Br)cn1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000544850485 564402665 /nfs/dbraw/zinc/40/26/65/564402665.db2.gz FHGNANXQGWUXLE-QGZVFWFLSA-N 1 0 391.313 2.769 20 0 GFADRO CCCN(CC[NH+](C)C)C(=O)[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000478450335 564403604 /nfs/dbraw/zinc/40/36/04/564403604.db2.gz NHUMBBCBVCGFAM-MRXNPFEDSA-N 1 0 396.329 2.602 20 0 GFADRO CC(=O)N1CC[C@@H]([NH2+]Cc2cc(Br)cc(Br)c2)C1 ZINC000568132008 564406205 /nfs/dbraw/zinc/40/62/05/564406205.db2.gz IFMOJCKEGCBQMF-CYBMUJFWSA-N 1 0 376.092 2.922 20 0 GFADRO CCN1CCN(S(=O)(=O)c2cccc(NCc3ccc(Cl)o3)c2)CC1 ZINC000512647685 564407857 /nfs/dbraw/zinc/40/78/57/564407857.db2.gz GFUGLXNRQRCHKJ-UHFFFAOYSA-N 1 0 383.901 2.871 20 0 GFADRO O=C(CCCc1ccc(Br)s1)NC[C@H]1CCC[N@H+]1CCCO ZINC000452351886 564408367 /nfs/dbraw/zinc/40/83/67/564408367.db2.gz QTMZPNUYNCYCHB-CYBMUJFWSA-N 1 0 389.359 2.796 20 0 GFADRO CCC(C)(C)[NH2+][C@H](C)C(=O)N1CCNC(=O)[C@H]1c1ccc(Br)cc1 ZINC000478577914 564408446 /nfs/dbraw/zinc/40/84/46/564408446.db2.gz BEJHLPBMCBLOAC-IUODEOHRSA-N 1 0 396.329 2.615 20 0 GFADRO C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](Cc2cccc(I)c2)C1 ZINC000452370121 564409267 /nfs/dbraw/zinc/40/92/67/564409267.db2.gz OLKDOBZJMHONLL-ZBFHGGJFSA-N 1 0 398.288 2.776 20 0 GFADRO O=C(NC[C@H]1CCC[N@H+]1CCCO)c1nc2ccccc2cc1Br ZINC000452360277 564409356 /nfs/dbraw/zinc/40/93/56/564409356.db2.gz IILUYZFIZQSHBK-CQSZACIVSA-N 1 0 392.297 2.574 20 0 GFADRO Ic1c[nH]c(-c2nc(CC3=[NH+][C@@H]4CCCC[C@H]4N3)no2)c1 ZINC000545141463 564409714 /nfs/dbraw/zinc/40/97/14/564409714.db2.gz NRFUYTDDMVTIKC-NXEZZACHSA-N 1 0 397.220 2.525 20 0 GFADRO CC[C@H](CSC)NC(=O)C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000512737878 564409881 /nfs/dbraw/zinc/40/98/81/564409881.db2.gz BPGWRMXQGBTMRM-SQWLQELKSA-N 1 0 383.583 2.505 20 0 GFADRO C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000452372020 564409993 /nfs/dbraw/zinc/40/99/93/564409993.db2.gz BQPVPDHUVRPCFT-OCCSQVGLSA-N 1 0 375.296 2.724 20 0 GFADRO O=C(N[C@H]1CCC[N@@H+](CCCO)C1)c1ccc(Cl)c(Br)c1 ZINC000452386246 564410980 /nfs/dbraw/zinc/41/09/80/564410980.db2.gz WMYJAAJKRJPOBD-LBPRGKRZSA-N 1 0 375.694 2.679 20 0 GFADRO O=C(Cc1cc(Cl)ccc1Br)NC[C@@H]1CCCC[N@H+]1CCO ZINC000452385875 564411213 /nfs/dbraw/zinc/41/12/13/564411213.db2.gz DUIAMCMAOHUDQT-AWEZNQCLSA-N 1 0 389.721 2.608 20 0 GFADRO CC[C@@H](Cc1ccccc1Br)C(=O)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000452380743 564411835 /nfs/dbraw/zinc/41/18/35/564411835.db2.gz HJALBKCEZXPZFK-RDJZCZTQSA-N 1 0 397.357 2.981 20 0 GFADRO O=C(Cc1cc(Cl)ccc1Br)NC[C@H]1CCCC[N@H+]1CCO ZINC000452385876 564411848 /nfs/dbraw/zinc/41/18/48/564411848.db2.gz DUIAMCMAOHUDQT-CQSZACIVSA-N 1 0 389.721 2.608 20 0 GFADRO O=C(CC[NH2+]Cc1cc(Br)cc2c1OCC2)Nc1ccccn1 ZINC000545196582 564412315 /nfs/dbraw/zinc/41/23/15/564412315.db2.gz COLDKACXYJNUFE-UHFFFAOYSA-N 1 0 376.254 2.897 20 0 GFADRO O[C@@H](COc1cccc(Br)c1)C[N@@H+]1CC[C@H](COC(F)F)C1 ZINC000512812323 564413070 /nfs/dbraw/zinc/41/30/70/564413070.db2.gz SCJWARLXHLIGQF-WCQYABFASA-N 1 0 380.229 2.750 20 0 GFADRO Cc1cc(C[NH2+]C[C@H]2CCCC[C@@H]2NS(C)(=O)=O)ccc1Br ZINC000512850023 564413689 /nfs/dbraw/zinc/41/36/89/564413689.db2.gz HCJVLNXUFAZCKV-ZBFHGGJFSA-N 1 0 389.359 2.955 20 0 GFADRO Cc1ccc(-c2ncc(C[NH2+]C[C@@H]3CCCC[C@H]3NS(C)(=O)=O)s2)o1 ZINC000512849234 564413835 /nfs/dbraw/zinc/41/38/35/564413835.db2.gz CHZLCOQWWHOWGL-DZGCQCFKSA-N 1 0 383.539 2.909 20 0 GFADRO Cc1cccc(NC(=O)C(=O)NC[C@H]2CC[N@@H+](C(C)C)C2)c1Br ZINC000545271464 564415798 /nfs/dbraw/zinc/41/57/98/564415798.db2.gz UYCDIACEOKBRTG-CYBMUJFWSA-N 1 0 382.302 2.543 20 0 GFADRO C[C@H](C[C@H](C)[NH3+])NC(=O)NCC1(c2ccc(Br)cc2)CCOCC1 ZINC000568388116 564416672 /nfs/dbraw/zinc/41/66/72/564416672.db2.gz FQKNNIOTDPIYKV-UONOGXRCSA-N 1 0 398.345 2.922 20 0 GFADRO CCOc1c(Cl)cc(C[NH2+]C[C@H]2CCCCN2S(C)(=O)=O)cc1OC ZINC000512987635 564416787 /nfs/dbraw/zinc/41/67/87/564416787.db2.gz BTHHPPTYBWQVGC-CQSZACIVSA-N 1 0 390.933 2.651 20 0 GFADRO COc1ccc(C[NH2+]C[C@@H](N2CCOCC2)C(F)(F)F)c(Cl)c1OC ZINC000512971690 564416873 /nfs/dbraw/zinc/41/68/73/564416873.db2.gz KEWKPYSGSSNEDS-CYBMUJFWSA-N 1 0 382.810 2.710 20 0 GFADRO CS(=O)(=O)N1CCCC[C@H]1C[NH2+]Cc1c[nH]nc1-c1ccc(Cl)cc1 ZINC000512977236 564417055 /nfs/dbraw/zinc/41/70/55/564417055.db2.gz IXECUDUTZAAXQS-INIZCTEOSA-N 1 0 382.917 2.634 20 0 GFADRO NC(=O)[C@@H]([NH2+]CCc1ccn(-c2ccccc2)n1)c1cccc(Br)c1 ZINC000478937531 564420167 /nfs/dbraw/zinc/42/01/67/564420167.db2.gz HQMUNASTLJPRMQ-SFHVURJKSA-N 1 0 399.292 2.994 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)C(=O)N[C@@H](C)C[NH+](CC)CC ZINC000478984792 564421629 /nfs/dbraw/zinc/42/16/29/564421629.db2.gz QHQJIMMDLGYDFZ-LBPRGKRZSA-N 1 0 384.318 2.797 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)C(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000479012020 564421637 /nfs/dbraw/zinc/42/16/37/564421637.db2.gz IUGZNRIGJLDBON-LLVKDONJSA-N 1 0 382.302 2.549 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2ccc(Cl)cc2C(=O)OC)C[C@H]1C ZINC000513131527 564422135 /nfs/dbraw/zinc/42/21/35/564422135.db2.gz IBSAMRIEELIVIY-TZMCWYRMSA-N 1 0 388.917 2.620 20 0 GFADRO C/C(=C/c1ccc(Cl)cc1)C[NH2+]C[C@H]1CCCCN1S(=O)(=O)N(C)C ZINC000568555339 564424260 /nfs/dbraw/zinc/42/42/60/564424260.db2.gz BFLQNOJSSOOXGN-WTQUMQLASA-N 1 0 385.961 2.994 20 0 GFADRO COc1cc(Br)cc(S(=O)(=O)NCC2([NH+](C)C)CCCC2)c1 ZINC000545464948 564424503 /nfs/dbraw/zinc/42/45/03/564424503.db2.gz CTFCEQUJBWLSAN-UHFFFAOYSA-N 1 0 391.331 2.610 20 0 GFADRO Cn1c(=O)oc2cc(C[N@H+](CCO)Cc3cccc(Br)c3)ccc21 ZINC000513216278 564424686 /nfs/dbraw/zinc/42/46/86/564424686.db2.gz ZQQMKVPXBLAMMQ-UHFFFAOYSA-N 1 0 391.265 2.889 20 0 GFADRO Cc1cc(Br)ccc1C(=O)N1CCC([NH2+]Cc2ccn(C)n2)CC1 ZINC000545491415 564425414 /nfs/dbraw/zinc/42/54/14/564425414.db2.gz KPDUUZUGFGWNOE-UHFFFAOYSA-N 1 0 391.313 2.885 20 0 GFADRO COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)NC1(C[NH+](C)C)CCC1 ZINC000545489727 564425471 /nfs/dbraw/zinc/42/54/71/564425471.db2.gz IIUYJXJAXDVQMX-CYBMUJFWSA-N 1 0 390.933 2.516 20 0 GFADRO CO[C@@H](C)C[N@H+](C)[C@H](C)C(=O)Nc1cccc(I)c1 ZINC000513247046 564425771 /nfs/dbraw/zinc/42/57/71/564425771.db2.gz IQOHPJJZWHTMFL-WDEREUQCSA-N 1 0 376.238 2.585 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)Cc2csc(-c3cccs3)n2)CC12CCOCC2 ZINC000568626653 564428148 /nfs/dbraw/zinc/42/81/48/564428148.db2.gz KPEDJYPGGUBCMS-CYBMUJFWSA-N 1 0 377.535 2.628 20 0 GFADRO CC(=O)Nc1ccc(S(=O)(=O)N2CCC([NH+]3CCCC3)CC2)cc1Cl ZINC000479154286 564428845 /nfs/dbraw/zinc/42/88/45/564428845.db2.gz BMTYQMXWWOFOLT-UHFFFAOYSA-N 1 0 385.917 2.547 20 0 GFADRO CC[NH+](CC)[C@H](C(=O)NCc1nn(C)cc1Br)c1ccccc1 ZINC000452752160 564429727 /nfs/dbraw/zinc/42/97/27/564429727.db2.gz FWNDDWVXQCBGQG-INIZCTEOSA-N 1 0 379.302 2.882 20 0 GFADRO C[C@@H](NC(=O)CCCS(=O)(=O)c1ccc(Cl)cc1)C(C)(C)C[NH+](C)C ZINC000513472234 564430068 /nfs/dbraw/zinc/43/00/68/564430068.db2.gz ATMLAWDQAQGXQV-CQSZACIVSA-N 1 0 388.961 2.986 20 0 GFADRO C[C@H](NC(=O)CCCS(=O)(=O)c1ccc(Cl)cc1)C(C)(C)C[NH+](C)C ZINC000513472233 564430085 /nfs/dbraw/zinc/43/00/85/564430085.db2.gz ATMLAWDQAQGXQV-AWEZNQCLSA-N 1 0 388.961 2.986 20 0 GFADRO CC(C)(C)[C@@H](O)CN1CCCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000568691336 564430538 /nfs/dbraw/zinc/43/05/38/564430538.db2.gz ZGALLDYFTPDRKG-LBPRGKRZSA-N 1 0 380.963 2.505 20 0 GFADRO O=C(CCOc1ccc(Cl)cc1Cl)NC[C@@H]1CCC[N@H+]1CCCO ZINC000452780079 564431359 /nfs/dbraw/zinc/43/13/59/564431359.db2.gz HEGIMWDITZNOON-AWEZNQCLSA-N 1 0 375.296 2.725 20 0 GFADRO C[C@]1(C[NH2+]C[C@H](O)COc2ccc(Cl)cc2Br)CCOC1 ZINC000568741436 564432362 /nfs/dbraw/zinc/43/23/62/564432362.db2.gz UTCWZLZQVATNIR-SWLSCSKDSA-N 1 0 378.694 2.858 20 0 GFADRO COCC[NH2+]C1CCN(C(=O)[C@H](C)Oc2cccc(Cl)c2Cl)CC1 ZINC000568776487 564434370 /nfs/dbraw/zinc/43/43/70/564434370.db2.gz KKUJUOUDJAQIGR-LBPRGKRZSA-N 1 0 375.296 2.988 20 0 GFADRO C[C@H](c1ccccc1Br)[N@H+](C)C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000513897078 564441725 /nfs/dbraw/zinc/44/17/25/564441725.db2.gz KCWCHPMQIDMNGH-OLZOCXBDSA-N 1 0 375.332 2.723 20 0 GFADRO CCCC[N@H+](C)C[C@@H](C)NC(=O)C(=O)Nc1ccc(C)cc1Br ZINC000568938828 564441775 /nfs/dbraw/zinc/44/17/75/564441775.db2.gz JFFKODLVFBBFMI-CYBMUJFWSA-N 1 0 384.318 2.933 20 0 GFADRO CCO[C@@H]1COCC[C@H]1[NH2+]Cc1cc(Br)c2c(c1)OCCCO2 ZINC000546054285 564442095 /nfs/dbraw/zinc/44/20/95/564442095.db2.gz GTPNWXRFBWFEJE-GDBMZVCRSA-N 1 0 386.286 2.894 20 0 GFADRO CC(C)C(=O)NCC[NH2+][C@H](C)c1ccc(F)c(I)c1 ZINC000453057861 564445524 /nfs/dbraw/zinc/44/55/24/564445524.db2.gz NWMVSGTZBIJSJS-SNVBAGLBSA-N 1 0 378.229 2.853 20 0 GFADRO CS(=O)(=O)CC1CCC([NH2+][C@H]2CCN(c3ccccc3Cl)C2=O)CC1 ZINC000569012778 564445677 /nfs/dbraw/zinc/44/56/77/564445677.db2.gz IGZRGSLMCDVTMO-XUJLQICISA-N 1 0 384.929 2.638 20 0 GFADRO CS(=O)(=O)N1CC[C@@H](C[NH2+]C2(c3ccc(Br)cc3)CCC2)C1 ZINC000514090529 564445987 /nfs/dbraw/zinc/44/59/87/564445987.db2.gz QYCSBBAVMDKEIT-ZDUSSCGKSA-N 1 0 387.343 2.699 20 0 GFADRO O=C(NCC[NH2+][C@H](Cc1ccccc1Br)C1CC1)c1cnccn1 ZINC000453095461 564446422 /nfs/dbraw/zinc/44/64/22/564446422.db2.gz PKWJGLTWQIHZBJ-MRXNPFEDSA-N 1 0 389.297 2.580 20 0 GFADRO C[C@@H]([NH2+]C[C@H](O)COCC1CC1)c1ccc(F)c(I)c1 ZINC000453092902 564447095 /nfs/dbraw/zinc/44/70/95/564447095.db2.gz SOEKFFGADIDSGM-MFKMUULPSA-N 1 0 393.240 2.868 20 0 GFADRO CCOC(=O)[C@H](C)[C@H](C)[NH2+]CC(=O)N[C@@H](C)c1ccc(Br)cc1 ZINC000514244101 564447553 /nfs/dbraw/zinc/44/75/53/564447553.db2.gz CGXZUBQZBTXITQ-AGIUHOORSA-N 1 0 385.302 2.804 20 0 GFADRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+][C@H](C)c1ccc(F)c(I)c1 ZINC000453162910 564448463 /nfs/dbraw/zinc/44/84/63/564448463.db2.gz KYNBVAYFWAOCBD-GLXFQSAKSA-N 1 0 390.240 2.996 20 0 GFADRO Cc1cc(S(=O)(=O)NC2(C[NH+](C)C)CCC2)c(C)cc1Br ZINC000546197444 564448764 /nfs/dbraw/zinc/44/87/64/564448764.db2.gz ODMMNYPIFZAJLD-UHFFFAOYSA-N 1 0 375.332 2.829 20 0 GFADRO CNC(=O)C(C)(C)C[NH2+][C@H](C)c1ccc(F)c(I)c1 ZINC000453165367 564449041 /nfs/dbraw/zinc/44/90/41/564449041.db2.gz OXOQKRLAYBIUQL-SECBINFHSA-N 1 0 378.229 2.853 20 0 GFADRO CCOC(=O)[C@H](C)[C@@H](C)[NH2+]CC(=O)NCCc1cccc(Cl)c1Cl ZINC000514249018 564449171 /nfs/dbraw/zinc/44/91/71/564449171.db2.gz ZSFYUJKOPKDXMQ-VXGBXAGGSA-N 1 0 375.296 2.829 20 0 GFADRO CC[N@@H+]1C[C@@H](C)N(C(=O)c2ccc(I)c(O)c2)C[C@H]1C ZINC000546203626 564449475 /nfs/dbraw/zinc/44/94/75/564449475.db2.gz IBBXALWIQMPFHV-GHMZBOCLSA-N 1 0 388.249 2.552 20 0 GFADRO CC[C@H](Cc1ccccc1Br)N(C)C(=O)CN1CC[NH+](CC)CC1 ZINC000479746713 564449582 /nfs/dbraw/zinc/44/95/82/564449582.db2.gz BJRDUWPQTOJDKN-QGZVFWFLSA-N 1 0 396.373 2.866 20 0 GFADRO COC(=O)c1cn(CC[NH2+][C@@H]2CCCCc3ccc(Br)cc32)nn1 ZINC000453213666 564450135 /nfs/dbraw/zinc/45/01/35/564450135.db2.gz QHHRNPRFVIECNI-OAHLLOKOSA-N 1 0 393.285 2.885 20 0 GFADRO COc1ccc(OC)c([C@H](C)[NH2+]CCn2cc(Br)ccc2=O)c1 ZINC000453249292 564450397 /nfs/dbraw/zinc/45/03/97/564450397.db2.gz LVNIAZLCFJALHD-LBPRGKRZSA-N 1 0 381.270 2.979 20 0 GFADRO C[C@H]([NH2+][C@H]1CCCN(CCCO)C1)c1ccc(I)cc1 ZINC000453253124 564450507 /nfs/dbraw/zinc/45/05/07/564450507.db2.gz CNDFPKLHZAAJKW-BBRMVZONSA-N 1 0 388.293 2.789 20 0 GFADRO O=C(c1ccc(-n2cc(Br)cn2)cc1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000514596796 564451055 /nfs/dbraw/zinc/45/10/55/564451055.db2.gz GOGWKPXRZXMBIV-INIZCTEOSA-N 1 0 375.270 2.601 20 0 GFADRO CC(=O)Nc1ccc([C@H](C)[NH2+]CCn2cc(Br)ccc2=O)cc1 ZINC000453254082 564451161 /nfs/dbraw/zinc/45/11/61/564451161.db2.gz QSIMAHNYRXKEMK-LBPRGKRZSA-N 1 0 378.270 2.920 20 0 GFADRO Cc1cc(C[NH2+][C@H](C)c2ccc(Br)c(S(N)(=O)=O)c2)ccn1 ZINC000453279025 564451611 /nfs/dbraw/zinc/45/16/11/564451611.db2.gz DOANXXFXTMQLBS-LLVKDONJSA-N 1 0 384.299 2.651 20 0 GFADRO CC[C@H](CNS(C)(=O)=O)[NH2+][C@H](c1cccc(OC(F)(F)F)c1)C1CC1 ZINC000453272604 564451980 /nfs/dbraw/zinc/45/19/80/564451980.db2.gz BHZPBGBIOBREHF-HIFRSBDPSA-N 1 0 380.432 2.954 20 0 GFADRO NC(=O)[C@@H]([NH2+]CC[C@@H]1COc2ccccc2O1)c1ccc(Br)cc1 ZINC000479885514 564452638 /nfs/dbraw/zinc/45/26/38/564452638.db2.gz ORFPMUQZEXWOOB-PBHICJAKSA-N 1 0 391.265 2.795 20 0 GFADRO Cc1csc(C[NH2+][C@@H](C)c2ccc(S(=O)(=O)N3CCOCC3)cc2)c1 ZINC000453307295 564453290 /nfs/dbraw/zinc/45/32/90/564453290.db2.gz BWVUBELJSHVWDI-HNNXBMFYSA-N 1 0 380.535 2.928 20 0 GFADRO COc1ccc(Br)cc1C[C@@H](CO)C[NH2+][C@H](C)c1nccn1C ZINC000453349833 564453811 /nfs/dbraw/zinc/45/38/11/564453811.db2.gz GPCHGUIQPPUWNL-CHWSQXEVSA-N 1 0 382.302 2.693 20 0 GFADRO C[C@H]([NH2+]CCN1C[C@H]2CC[C@@H](C1)O2)c1ccccc1I ZINC000453334784 564453996 /nfs/dbraw/zinc/45/39/96/564453996.db2.gz JUPQAXRNLSPARB-MELADBBJSA-N 1 0 386.277 2.805 20 0 GFADRO C[C@@H](Cc1cnccn1)[NH2+]C[C@H](CO)Cc1cc(Br)ccc1F ZINC000453340368 564454026 /nfs/dbraw/zinc/45/40/26/564454026.db2.gz BQWQPEXXRYOZMG-QWHCGFSZSA-N 1 0 382.277 2.750 20 0 GFADRO C[C@@H](Cc1cnccn1)[NH2+]C[C@@H](CO)Cc1ccc(F)c(Br)c1 ZINC000453369015 564454668 /nfs/dbraw/zinc/45/46/68/564454668.db2.gz NEONOBGAPBHPAY-JSGCOSHPSA-N 1 0 382.277 2.750 20 0 GFADRO C[NH2+]CCC1CCN(C(=O)Cc2ccc(I)cc2)CC1 ZINC000569239884 564455676 /nfs/dbraw/zinc/45/56/76/564455676.db2.gz BLMXYGNPGPZYJD-UHFFFAOYSA-N 1 0 386.277 2.682 20 0 GFADRO COc1ccc(C[C@H](CO)C[NH2+][C@@H](C)Cc2cnccn2)cc1Br ZINC000453389755 564456248 /nfs/dbraw/zinc/45/62/48/564456248.db2.gz XODLWSWVCIGDMT-ZFWWWQNUSA-N 1 0 394.313 2.620 20 0 GFADRO CCO[C@@H]1CCC[C@H]1[NH2+][C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000453398924 564456449 /nfs/dbraw/zinc/45/64/49/564456449.db2.gz JTOANDFMGYNQPK-ZLKJLUDKSA-N 1 0 391.331 2.705 20 0 GFADRO CC[C@H](C)[NH+]1CCN(c2nnc(-c3cc(Br)cn3C)n2C)CC1 ZINC000453454272 564457154 /nfs/dbraw/zinc/45/71/54/564457154.db2.gz VYQCKMQYALWIND-LBPRGKRZSA-N 1 0 381.322 2.504 20 0 GFADRO COc1cc(Br)c(CNC(=O)C[C@@H]2CCCC[C@@H]2[NH3+])cc1OC ZINC000569335368 564458861 /nfs/dbraw/zinc/45/88/61/564458861.db2.gz QIGSOHBZNJIIAO-FZMZJTMJSA-N 1 0 385.302 2.990 20 0 GFADRO Cc1cc(Br)c(C[NH2+]CCNS(=O)(=O)c2ccccc2)s1 ZINC000453585411 564459326 /nfs/dbraw/zinc/45/93/26/564459326.db2.gz IANZHXAYSNXKBB-UHFFFAOYSA-N 1 0 389.340 2.887 20 0 GFADRO CN(CC[NH+](C)C)C(=O)CCc1nnc(-c2cc(F)ccc2Br)o1 ZINC000480088940 564459820 /nfs/dbraw/zinc/45/98/20/564459820.db2.gz RSCNUJWCYAHCLY-UHFFFAOYSA-N 1 0 399.264 2.591 20 0 GFADRO CCS(=O)(=O)NCCC[N@H+]1CC=C(c2cccc(Br)c2)CC1 ZINC000546585385 564460148 /nfs/dbraw/zinc/46/01/48/564460148.db2.gz LJBPQPYHMRJWIX-UHFFFAOYSA-N 1 0 387.343 2.868 20 0 GFADRO Cc1ccc(F)c(C(=O)N2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)c1Br ZINC000569342020 564460261 /nfs/dbraw/zinc/46/02/61/564460261.db2.gz IQQMUVRBPLSYRH-CJNGLKHVSA-N 1 0 385.277 2.865 20 0 GFADRO CN(CC[NH+](C)C)C(=O)c1cccn1-c1cccc(I)c1 ZINC000480113550 564460430 /nfs/dbraw/zinc/46/04/30/564460430.db2.gz ZIINGUVGGCQKKD-UHFFFAOYSA-N 1 0 397.260 2.716 20 0 GFADRO O[C@@H](COc1c(Cl)cccc1Cl)C[N@@H+]1CCC[C@H](N2CCOCC2)C1 ZINC000569376021 564460710 /nfs/dbraw/zinc/46/07/10/564460710.db2.gz KNIPKNUAWSCIOF-LSDHHAIUSA-N 1 0 389.323 2.530 20 0 GFADRO C[NH2+]C[C@H]1CCN(C(=O)CSc2nccn2-c2cccc(Cl)c2C)C1 ZINC000514868959 564461171 /nfs/dbraw/zinc/46/11/71/564461171.db2.gz DQPSFVKWCYZNDD-CQSZACIVSA-N 1 0 378.929 2.994 20 0 GFADRO Cc1cccc(CN(CC[NH+](C)C)c2ncc(I)cn2)c1 ZINC000546621909 564462169 /nfs/dbraw/zinc/46/21/69/564462169.db2.gz PWSYMFZGMGCVON-UHFFFAOYSA-N 1 0 396.276 2.958 20 0 GFADRO CC(C)[C@@H](O)CC[NH2+][C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000480172343 564462292 /nfs/dbraw/zinc/46/22/92/564462292.db2.gz SRQWNDSFOVEYRX-KGLIPLIRSA-N 1 0 376.316 2.664 20 0 GFADRO C[C@@H]1C[C@H]([NH2+][C@@H]2CCS(=O)(=O)c3ccc(Br)cc32)CCN1C ZINC000480178367 564462589 /nfs/dbraw/zinc/46/25/89/564462589.db2.gz IBRXOCAGOKLWCI-UXIGCNINSA-N 1 0 387.343 2.740 20 0 GFADRO CCCCN(C1CC(C)(C)[NH2+]C(C)(C)C1)S(=O)(=O)C[C@H](C)C(=O)OC ZINC000569446618 564463894 /nfs/dbraw/zinc/46/38/94/564463894.db2.gz FXXMFIFYNMLAET-AWEZNQCLSA-N 1 0 376.563 2.537 20 0 GFADRO O=S1(=O)CC[C@H]([NH2+][C@H]2CCN3CCCC[C@@H]23)c2cc(Br)ccc21 ZINC000480228514 564464877 /nfs/dbraw/zinc/46/48/77/564464877.db2.gz OHLXTIHGQJJWJH-JYJNAYRXSA-N 1 0 399.354 2.884 20 0 GFADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N(C)Cc1ccc(Cl)s1 ZINC000480255761 564465735 /nfs/dbraw/zinc/46/57/35/564465735.db2.gz CJPYAGSOUSICTL-UHFFFAOYSA-N 1 0 390.962 2.597 20 0 GFADRO O=S1(=O)CC[C@@](O)(C[NH2+][C@@H](Cc2ccccc2Cl)c2ccsc2)C1 ZINC000515038412 564466870 /nfs/dbraw/zinc/46/68/70/564466870.db2.gz FCOGPWYKISQBJH-DLBZAZTESA-N 1 0 385.938 2.825 20 0 GFADRO CCC[NH+]1CCC(NS(=O)(=O)c2ccc(OC)cc2Br)CC1 ZINC000480265826 564467189 /nfs/dbraw/zinc/46/71/89/564467189.db2.gz OVCJQGLICCNPKL-UHFFFAOYSA-N 1 0 391.331 2.610 20 0 GFADRO C[C@H]1[C@H](NC(=O)C(=O)Nc2cc(Cl)cc(Br)c2)CCC[N@@H+]1C ZINC000453702586 564467272 /nfs/dbraw/zinc/46/72/72/564467272.db2.gz QCRLLNRXNSIRKY-TVQRCGJNSA-N 1 0 388.693 2.640 20 0 GFADRO CC(=O)Nc1ccc(S[C@@H](C)C(=O)NC[C@@]2([NH+](C)C)CCSC2)cc1 ZINC000480280354 564467439 /nfs/dbraw/zinc/46/74/39/564467439.db2.gz UDJRVEWATOGJTH-UGSOOPFHSA-N 1 0 381.567 2.679 20 0 GFADRO C[C@H]1C[C@@H](NC(=O)C(=O)N(C)Cc2cc(Cl)cc(Cl)c2)C[N@@H+]1C1CC1 ZINC000569526946 564467578 /nfs/dbraw/zinc/46/75/78/564467578.db2.gz KXQAVMDXSFGAMM-XHDPSFHLSA-N 1 0 384.307 2.693 20 0 GFADRO CN(C)CC[N@H+](C)CCCNC(=O)[C@H]1C[C@@H]1c1cccc(Br)c1 ZINC000515169783 564471154 /nfs/dbraw/zinc/47/11/54/564471154.db2.gz YGXXLNWLBAIXBJ-SJORKVTESA-N 1 0 382.346 2.552 20 0 GFADRO O=S(=O)(c1csc(-c2ccccc2)n1)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000569604277 564471675 /nfs/dbraw/zinc/47/16/75/564471675.db2.gz OGPVKUIJZWBRFY-HOTGVXAUSA-N 1 0 377.535 2.820 20 0 GFADRO CCCCNC(=O)CC[NH+]1CCN(Cc2ccc(Br)cc2)CC1 ZINC000480426200 564472893 /nfs/dbraw/zinc/47/28/93/564472893.db2.gz MHSACNUXKDGJJZ-UHFFFAOYSA-N 1 0 382.346 2.873 20 0 GFADRO CC(C)OC[C@@H](O)C[NH2+]C1CCN(Cc2cccc(Br)c2)CC1 ZINC000515235192 564473210 /nfs/dbraw/zinc/47/32/10/564473210.db2.gz UWISXOUZGAWSKZ-SFHVURJKSA-N 1 0 385.346 2.789 20 0 GFADRO COC(=O)c1cn([C@H]2CC[N@H+](C[C@@H](C)c3cccc(Br)c3)C2)nn1 ZINC000546972595 564476278 /nfs/dbraw/zinc/47/62/78/564476278.db2.gz NHDFLSDISJIFMG-DOMZBBRYSA-N 1 0 393.285 2.878 20 0 GFADRO CCSc1nnc(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)s1 ZINC000569736166 564476826 /nfs/dbraw/zinc/47/68/26/564476826.db2.gz QQSGROXIFIPLCU-TZMCWYRMSA-N 1 0 377.539 3.435 20 0 GFADRO CC(C)(C)C(=O)NCc1ccc(Cl)c(C(=O)N[C@H](CC[NH3+])C(F)F)c1 ZINC000515351516 564476932 /nfs/dbraw/zinc/47/69/32/564476932.db2.gz IJQOPIDYFHBBIB-CYBMUJFWSA-N 1 0 375.847 2.715 20 0 GFADRO Cc1cc(Br)cc(Cl)c1C(=O)N[C@H](C)CN1CC[NH+](C)CC1 ZINC000480639900 564480058 /nfs/dbraw/zinc/48/00/58/564480058.db2.gz AOFIWSJHHHWPEV-GFCCVEGCSA-N 1 0 388.737 2.777 20 0 GFADRO C[N@H+](CCCC(=O)OC(C)(C)C)Cc1cc(Cl)cc(S(N)(=O)=O)c1 ZINC000515486551 564480124 /nfs/dbraw/zinc/48/01/24/564480124.db2.gz AXYIQKVEFAKMCR-UHFFFAOYSA-N 1 0 376.906 2.541 20 0 GFADRO Cc1ncc2c(n1)CC[C@H]([NH2+]Cc1cn(-c3ccccc3Br)nn1)C2 ZINC000515479191 564480167 /nfs/dbraw/zinc/48/01/67/564480167.db2.gz AHZOHZXVUVHDMJ-AWEZNQCLSA-N 1 0 399.296 2.775 20 0 GFADRO O=S1(=O)CCCN1CC[NH2+]Cc1csc2c1cccc2Br ZINC000515500303 564480714 /nfs/dbraw/zinc/48/07/14/564480714.db2.gz KLYLGEPNEDVBRP-UHFFFAOYSA-N 1 0 389.340 2.789 20 0 GFADRO C[C@H](C[NH2+][C@@H](C)c1ccc(S(=O)(=O)N2CCOCC2)cc1)C(F)(F)F ZINC000480666205 564481480 /nfs/dbraw/zinc/48/14/80/564481480.db2.gz YWLOEWDDFPTRDS-OLZOCXBDSA-N 1 0 380.432 2.557 20 0 GFADRO CCn1c(CC[NH3+])nnc1Sc1ncnc2cc(F)c(Br)cc21 ZINC000547283229 564482345 /nfs/dbraw/zinc/48/23/45/564482345.db2.gz FQXQFIGPUAFUNL-UHFFFAOYSA-N 1 0 397.277 2.795 20 0 GFADRO C[N@@H+]1CC[C@](O)(CNC(=O)N[C@@H](c2ccc(Br)cc2)C2CCC2)C1 ZINC000547298487 564483547 /nfs/dbraw/zinc/48/35/47/564483547.db2.gz YGRXSGZKJGSBPA-AEFFLSMTSA-N 1 0 396.329 2.656 20 0 GFADRO C[C@@H](C(=O)N(C)CCC[N@H+](C)CCN(C)C)c1ccc(Br)s1 ZINC000515706582 564485968 /nfs/dbraw/zinc/48/59/68/564485968.db2.gz YAUALUMFAURTRK-CYBMUJFWSA-N 1 0 390.391 2.956 20 0 GFADRO Cc1cc(Br)cc(C(=O)N2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)c1 ZINC000547353983 564486193 /nfs/dbraw/zinc/48/61/93/564486193.db2.gz PVIATOJUSNEYBJ-GOSISDBHSA-N 1 0 394.357 2.998 20 0 GFADRO CCOc1c(Cl)cc(NC(=O)C(=O)NCC[N@@H+]2CC[C@@H](C)C2)cc1Cl ZINC000547352936 564486343 /nfs/dbraw/zinc/48/63/43/564486343.db2.gz IKKZGCSPOQJJHW-LLVKDONJSA-N 1 0 388.295 2.789 20 0 GFADRO Cc1cc(NC(=O)COC2CC[NH2+]CC2)nn1-c1ccc(Cl)c(Cl)c1 ZINC000570036866 564488556 /nfs/dbraw/zinc/48/85/56/564488556.db2.gz XTFJDAHKPRECRM-UHFFFAOYSA-N 1 0 383.279 3.195 20 0 GFADRO O=S(=O)(Cc1ccc(Cl)cc1Br)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000515844043 564488684 /nfs/dbraw/zinc/48/86/84/564488684.db2.gz KWKUKCJMLBBEKL-YGRLFVJLSA-N 1 0 393.734 2.616 20 0 GFADRO CN(CC[N@H+](C)C1CC1)C(=O)c1ccc(-n2cc(Br)cn2)cc1 ZINC000547464316 564489889 /nfs/dbraw/zinc/48/98/89/564489889.db2.gz GUXANDJQNAXOJZ-UHFFFAOYSA-N 1 0 377.286 2.801 20 0 GFADRO O=S1(=O)CC[C@H]([NH2+]CCc2ccncc2)c2cc(Br)ccc21 ZINC000547502768 564490869 /nfs/dbraw/zinc/49/08/69/564490869.db2.gz CSNZDUDLPWKIJC-HNNXBMFYSA-N 1 0 381.295 2.895 20 0 GFADRO Cc1ccc(S(=O)(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)cc1Br ZINC000480849167 564490937 /nfs/dbraw/zinc/49/09/37/564490937.db2.gz DEABVQCYUXTMHJ-CZUORRHYSA-N 1 0 387.343 2.862 20 0 GFADRO O=S1(=O)CC[C@@H]([NH2+]CCc2ccncc2)c2cc(Br)ccc21 ZINC000547502769 564490930 /nfs/dbraw/zinc/49/09/30/564490930.db2.gz CSNZDUDLPWKIJC-OAHLLOKOSA-N 1 0 381.295 2.895 20 0 GFADRO CSC1(CNC(=O)Nc2ccnc(C)c2Br)CC[NH+](C)CC1 ZINC000570131279 564492102 /nfs/dbraw/zinc/49/21/02/564492102.db2.gz IXTJVQOBIGIGHH-UHFFFAOYSA-N 1 0 387.347 2.523 20 0 GFADRO Clc1cccc(-n2cc(C[NH2+]CC3(N4CCOCC4)CC3)nn2)c1Cl ZINC000570150051 564493134 /nfs/dbraw/zinc/49/31/34/564493134.db2.gz FBKPQKJXUPXEBX-UHFFFAOYSA-N 1 0 382.295 2.529 20 0 GFADRO [NH3+]C1(CNS(=O)(=O)c2ccc(Br)cc2C(F)(F)F)CCC1 ZINC000570161013 564494496 /nfs/dbraw/zinc/49/44/96/564494496.db2.gz PVOFFMKVRJEUEY-UHFFFAOYSA-N 1 0 387.221 2.628 20 0 GFADRO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)NCCSCc1ccc(Cl)cc1Cl ZINC000516182228 564496328 /nfs/dbraw/zinc/49/63/28/564496328.db2.gz NNKQVHWZVDMQOW-QWRGUYRKSA-N 1 0 392.352 2.585 20 0 GFADRO Cc1ccc(NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C(C)C)C2)cc1Br ZINC000454083835 564496865 /nfs/dbraw/zinc/49/68/65/564496865.db2.gz DHIZULWHQJOTLA-CQSZACIVSA-N 1 0 382.302 2.637 20 0 GFADRO C[C@@H]1CC[N@H+](CCNS(=O)(=O)c2ccc(Cl)c(Br)c2)C1 ZINC000516269763 564498943 /nfs/dbraw/zinc/49/89/43/564498943.db2.gz RGCAYXVYBYNSIN-SNVBAGLBSA-N 1 0 381.723 2.723 20 0 GFADRO Cc1cc(I)ccc1NC(=O)N1C[C@H]2CC[N@@H+](C)[C@H]2C1 ZINC000454152226 564500401 /nfs/dbraw/zinc/50/04/01/564500401.db2.gz IGDMKLJVUFKSJO-RISCZKNCSA-N 1 0 385.249 2.767 20 0 GFADRO Cc1cc(F)c(Br)cc1NC[C@H](O)C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000570390844 564503915 /nfs/dbraw/zinc/50/39/15/564503915.db2.gz QJJPYTHFPIKQHF-UPJWGTAASA-N 1 0 375.282 2.779 20 0 GFADRO Cc1c(Br)cccc1CNC(=O)C(=O)NCC1([NH3+])CCCCCC1 ZINC000570411460 564504816 /nfs/dbraw/zinc/50/48/16/564504816.db2.gz XJFLXASSJDIEOT-UHFFFAOYSA-N 1 0 396.329 2.542 20 0 GFADRO O=C(NC[C@H]1CCC[NH2+]1)N(Cc1cccc(Br)c1)C1CCOCC1 ZINC000516555060 564504973 /nfs/dbraw/zinc/50/49/73/564504973.db2.gz OALXJVHJHDRSFG-MRXNPFEDSA-N 1 0 396.329 2.892 20 0 GFADRO C[N@H+](CCCCNC(=O)NCc1cn2cc(Br)ccc2n1)C1CC1 ZINC000454357746 564507129 /nfs/dbraw/zinc/50/71/29/564507129.db2.gz OYNVCPZRVBHUNJ-UHFFFAOYSA-N 1 0 394.317 2.770 20 0 GFADRO CCN(C[C@H]1CCC[N@@H+]1CC)C(=O)c1ccc(Cl)c(NS(C)(=O)=O)c1 ZINC000570503950 564509032 /nfs/dbraw/zinc/50/90/32/564509032.db2.gz JIECEUUBOOJJGB-CQSZACIVSA-N 1 0 387.933 2.658 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CC[NH2+]C[C@H](O)COCC(C)C ZINC000570509207 564509274 /nfs/dbraw/zinc/50/92/74/564509274.db2.gz UEDKKZHFUOUDBX-HNNXBMFYSA-N 1 0 387.318 2.709 20 0 GFADRO C[NH+](C)[C@@]1(CNS(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)CCSC1 ZINC000481340811 564509842 /nfs/dbraw/zinc/50/98/42/564509842.db2.gz OKCJIFJLNPLKCS-CYBMUJFWSA-N 1 0 386.436 2.560 20 0 GFADRO [NH3+]C1(CNC(=O)c2cc3c(cc2Br)NC(=O)CO3)CCCCCC1 ZINC000570516135 564510003 /nfs/dbraw/zinc/51/00/03/564510003.db2.gz QXXYMQNIISOJFC-UHFFFAOYSA-N 1 0 396.285 2.562 20 0 GFADRO C[C@@H](C[NH+](C)C)NC(=O)Nc1cc(Br)cnc1OCC(F)(F)F ZINC000570538462 564510996 /nfs/dbraw/zinc/51/09/96/564510996.db2.gz RUMYTBYAWLSOFO-QMMMGPOBSA-N 1 0 399.211 2.857 20 0 GFADRO CC[NH+](CC)CCN(C(=O)c1cncnc1C)c1ccc(Br)cn1 ZINC000570573343 564512652 /nfs/dbraw/zinc/51/26/52/564512652.db2.gz LYBVOAPLSUJOQZ-UHFFFAOYSA-N 1 0 392.301 2.931 20 0 GFADRO C[C@H]([NH3+])C[C@H](C)NC(=O)NC[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000570567850 564512894 /nfs/dbraw/zinc/51/28/94/564512894.db2.gz VZUNRLCXPHAQHC-MELADBBJSA-N 1 0 383.334 2.700 20 0 GFADRO O=C(NC[C@H]1CCCC[N@@H+]1C1CC1)c1cc(Br)c2c(c1)OCCO2 ZINC000570616650 564514471 /nfs/dbraw/zinc/51/44/71/564514471.db2.gz PIRFZBIXRWLALU-CQSZACIVSA-N 1 0 395.297 2.967 20 0 GFADRO CCC[N@@H+]1CC[C@H](CNC(=O)NCc2nc(C)c(Br)s2)C1 ZINC000454575160 564515428 /nfs/dbraw/zinc/51/54/28/564515428.db2.gz HVLBVWCAGKPTBU-LLVKDONJSA-N 1 0 375.336 2.745 20 0 GFADRO COCC[N@H+](C)CCCNC(=O)NC/C=C\c1ccc(Br)cc1 ZINC000454598958 564515999 /nfs/dbraw/zinc/51/59/99/564515999.db2.gz HTADHINBFKYOAB-HYXAFXHYSA-N 1 0 384.318 2.730 20 0 GFADRO C[C@H](NC(=O)N[C@H]1CCN(c2ccccc2Br)C1)[C@H]1CCC[NH2+]C1 ZINC000570665950 564516219 /nfs/dbraw/zinc/51/62/19/564516219.db2.gz NZMUGKFVXGIVLD-KKUMJFAQSA-N 1 0 395.345 2.715 20 0 GFADRO Cc1nc(CNC(=O)N[C@@H](C)C[NH+]2CCCCC2)sc1Br ZINC000454611800 564516465 /nfs/dbraw/zinc/51/64/65/564516465.db2.gz HHALPKCPOYORGM-JTQLQIEISA-N 1 0 375.336 2.888 20 0 GFADRO Cc1nc(CNC(=O)N[C@H](CC(C)C)C[NH+](C)C)sc1Br ZINC000454595684 564516478 /nfs/dbraw/zinc/51/64/78/564516478.db2.gz DYQGXGSBXDUZLJ-LLVKDONJSA-N 1 0 377.352 2.990 20 0 GFADRO Cc1nn(C)c(C)c1CCC[NH2+]C[C@H](O)COc1cccc(Br)c1 ZINC000516922681 564517232 /nfs/dbraw/zinc/51/72/32/564517232.db2.gz MENMYXLBZFKOSD-INIZCTEOSA-N 1 0 396.329 2.762 20 0 GFADRO C[N@@H+]1CCCC[C@H]1CCC(=O)N1CCN(c2ccc(Br)cn2)CC1 ZINC000481621983 564518513 /nfs/dbraw/zinc/51/85/13/564518513.db2.gz DQHPKZZBFOYYOB-INIZCTEOSA-N 1 0 395.345 2.757 20 0 GFADRO C[C@H](Cc1ccccc1C(F)(F)F)[NH2+]C[C@@H]1CCC[C@H]1NS(C)(=O)=O ZINC000481674520 564519174 /nfs/dbraw/zinc/51/91/74/564519174.db2.gz UXJVAUGHVCHHQZ-IVMMDQJWSA-N 1 0 378.460 2.944 20 0 GFADRO CS(=O)(=O)C1(C[NH2+]C[C@H](O)Cc2ccc(C(F)(F)F)cc2)CCCC1 ZINC000517025710 564521666 /nfs/dbraw/zinc/52/16/66/564521666.db2.gz GIJHHMJGLBQVGR-OAHLLOKOSA-N 1 0 379.444 2.556 20 0 GFADRO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)NCC1(c2c(Cl)cccc2Cl)CCC1 ZINC000517145994 564525106 /nfs/dbraw/zinc/52/51/06/564525106.db2.gz UYERYGDTIRVOSZ-RYUDHWBXSA-N 1 0 386.323 2.773 20 0 GFADRO C[C@@H](C[NH+](C)C)NC(=O)Nc1cc(F)c(I)c(F)c1 ZINC000570874396 564525437 /nfs/dbraw/zinc/52/54/37/564525437.db2.gz BXUVMGDSMVBAQO-ZETCQYMHSA-N 1 0 383.180 2.641 20 0 GFADRO CC(C)[NH2+]C1(CO)CCN(Cc2nc3ccc(Br)cc3o2)CC1 ZINC000517170502 564526097 /nfs/dbraw/zinc/52/60/97/564526097.db2.gz IHFIVUAZRLDCHA-UHFFFAOYSA-N 1 0 382.302 2.915 20 0 GFADRO CC[NH2+]CCCNC(=O)Nc1cc(F)c(I)c(F)c1 ZINC000570935171 564529038 /nfs/dbraw/zinc/52/90/38/564529038.db2.gz OZYDDEYKMRMPAL-UHFFFAOYSA-N 1 0 383.180 2.691 20 0 GFADRO C[C@@H](CNC(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1)C[NH+](C)C ZINC000517252159 564529332 /nfs/dbraw/zinc/52/93/32/564529332.db2.gz LNXDKRDBSHPFMI-LRDDRELGSA-N 1 0 386.323 2.912 20 0 GFADRO O=S1(=O)C[C@H](C[NH2+][C@H]2CSCCc3ccccc32)Oc2ccccc21 ZINC000570964682 564529593 /nfs/dbraw/zinc/52/95/93/564529593.db2.gz WYDXTKSRUDXRBO-RDJZCZTQSA-N 1 0 375.515 2.842 20 0 GFADRO CC1(C)C[C@@H]([NH2+]Cc2cc(=O)n3cc(Br)ccc3n2)C(C)(C)O1 ZINC000548073915 564530369 /nfs/dbraw/zinc/53/03/69/564530369.db2.gz LHBDOZCSKMFJCX-CYBMUJFWSA-N 1 0 380.286 2.893 20 0 GFADRO O=C(NC[C@H]1CCC[N@H+]1CCCO)Nc1cc(F)c(Br)cc1F ZINC000455014735 564532153 /nfs/dbraw/zinc/53/21/53/564532153.db2.gz AYEDDNZTFCRKLX-SNVBAGLBSA-N 1 0 392.244 2.696 20 0 GFADRO C[C@H]1CC[N@H+](CCNC(=O)C(=O)Nc2cc(Cl)cc(C(F)(F)F)c2)C1 ZINC000548130073 564532186 /nfs/dbraw/zinc/53/21/86/564532186.db2.gz VWGIOKDXFDENAK-JTQLQIEISA-N 1 0 377.794 2.755 20 0 GFADRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)Nc1ccc(Cl)c(S(C)(=O)=O)c1 ZINC000482049785 564532408 /nfs/dbraw/zinc/53/24/08/564532408.db2.gz NXONWZQRNQIIGU-DOMZBBRYSA-N 1 0 385.917 2.834 20 0 GFADRO CN(C)CC[N@H+](C)CCCNC(=O)Nc1cc(F)c(Br)cc1F ZINC000455033427 564533617 /nfs/dbraw/zinc/53/36/17/564533617.db2.gz PKXHZCBWVCQOEY-UHFFFAOYSA-N 1 0 393.276 2.732 20 0 GFADRO O=S(=O)(c1ccccc1OC(F)(F)F)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000517415459 564533789 /nfs/dbraw/zinc/53/37/89/564533789.db2.gz UXGRLLWEGUOGQM-CYBMUJFWSA-N 1 0 378.416 2.834 20 0 GFADRO Cc1nc(CC[NH2+]Cc2cn(-c3ccccc3Br)nn2)c(C)o1 ZINC000571092003 564535047 /nfs/dbraw/zinc/53/50/47/564535047.db2.gz HAZHGCRWEBALPQ-UHFFFAOYSA-N 1 0 376.258 2.967 20 0 GFADRO Cc1cc(NC(=O)NC[C@H]2CC[N@@H+](C)C2)nn1-c1ccc(Cl)cc1Cl ZINC000455082173 564536120 /nfs/dbraw/zinc/53/61/20/564536120.db2.gz NFURISZMBBOBPD-GFCCVEGCSA-N 1 0 382.295 3.561 20 0 GFADRO CS(=O)(=O)c1ccc(C[NH2+][C@H]2CC(=O)N(c3ccccc3Cl)C2)cc1 ZINC000517559806 564536764 /nfs/dbraw/zinc/53/67/64/564536764.db2.gz QURKJNVEORFTFJ-AWEZNQCLSA-N 1 0 378.881 2.639 20 0 GFADRO O=C(NC[C@H]1CCC[N@H+]1CCCO)Nc1ccc(Cl)c(OC(F)F)c1 ZINC000455108307 564537014 /nfs/dbraw/zinc/53/70/14/564537014.db2.gz OMBHCQAORLEEER-GFCCVEGCSA-N 1 0 377.819 2.910 20 0 GFADRO Cc1cccc(C(=O)N(C)[C@H]2CC[N@@H+](C3CC3)C2)c1I ZINC000517649935 564539068 /nfs/dbraw/zinc/53/90/68/564539068.db2.gz SJCJVHMJQZPMBW-ZDUSSCGKSA-N 1 0 384.261 2.908 20 0 GFADRO Cc1cc(Br)c(F)cc1NC(=O)NC[C@@H]1CCC[N@@H+]1CCCO ZINC000455169442 564540510 /nfs/dbraw/zinc/54/05/10/564540510.db2.gz MEWBSRACYGGPQE-LBPRGKRZSA-N 1 0 388.281 2.865 20 0 GFADRO Cc1cc(NC(=O)C(=O)N2CC[C@]3(C2)CCC[NH2+]C3)cc(C)c1Br ZINC000571266034 564543714 /nfs/dbraw/zinc/54/37/14/564543714.db2.gz GMJULRBUMZVLTE-GOSISDBHSA-N 1 0 394.313 2.607 20 0 GFADRO O=C(NCc1cc2cc(Br)ccc2[nH]1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000571301176 564545841 /nfs/dbraw/zinc/54/58/41/564545841.db2.gz YMKZMGHRGSIROD-HNNXBMFYSA-N 1 0 377.286 2.966 20 0 GFADRO CC1(C)[NH2+]CC[C@@H]1NC(=O)CCC[S@@](=O)c1ccc(Br)cc1 ZINC000518080560 564546043 /nfs/dbraw/zinc/54/60/43/564546043.db2.gz NOYLFYAXUBZSRA-RCDICMHDSA-N 1 0 387.343 2.594 20 0 GFADRO O=C(NC[C@@H]1CCC[N@H+]1CCCO)Nc1cc(F)cc(Br)c1F ZINC000455291231 564547662 /nfs/dbraw/zinc/54/76/62/564547662.db2.gz ARQHMTJVULEHNA-NSHDSACASA-N 1 0 392.244 2.696 20 0 GFADRO COCC[N@H+](CCO)CCOc1c(Br)cccc1Br ZINC000482662217 564548334 /nfs/dbraw/zinc/54/83/34/564548334.db2.gz OSPGDVQVPGBPFZ-UHFFFAOYSA-N 1 0 397.107 2.531 20 0 GFADRO C[C@@H]([NH2+]C[C@@H](O)CN1CCc2ccccc2C1)c1cncc(Br)c1 ZINC000518218881 564548773 /nfs/dbraw/zinc/54/87/73/564548773.db2.gz TUJSIPQCGROXIA-AUUYWEPGSA-N 1 0 390.325 2.914 20 0 GFADRO C[C@@H](CC[NH+](C)C)NC(=O)N1CCN(c2cccc(Br)c2)CC1 ZINC000571389175 564549520 /nfs/dbraw/zinc/54/95/20/564549520.db2.gz DTZAJKHYJXERPT-AWEZNQCLSA-N 1 0 383.334 2.621 20 0 GFADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)Cc2ccc(Cl)cc2Cl)CC1 ZINC000518298823 564550217 /nfs/dbraw/zinc/55/02/17/564550217.db2.gz XPCKOEISKAIXRF-UHFFFAOYSA-N 1 0 386.323 2.595 20 0 GFADRO Cn1ccnc1CN1CCC[C@@H]([NH2+]Cc2cc(F)cc(Br)c2)C1=O ZINC000518307895 564550488 /nfs/dbraw/zinc/55/04/88/564550488.db2.gz JJNHCXGSOXLLTB-OAHLLOKOSA-N 1 0 395.276 2.603 20 0 GFADRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)Nc1ccc(C(F)(F)F)cc1Br ZINC000571444190 564551816 /nfs/dbraw/zinc/55/18/16/564551816.db2.gz ISQZZEQJEKVITC-HTQZYQBOSA-N 1 0 396.207 2.648 20 0 GFADRO C[C@@H](CNC(=O)N1CCO[C@@H](c2ccc(Br)cc2)[C@@H]1C)[NH+](C)C ZINC000455429701 564553171 /nfs/dbraw/zinc/55/31/71/564553171.db2.gz JKFPPVNOXSSEMK-HEHGZKQESA-N 1 0 384.318 2.871 20 0 GFADRO CCO[C@H](CC[NH+](C)C)CNS(=O)(=O)c1ccc(C(F)(F)F)c(C)c1 ZINC000518445433 564553981 /nfs/dbraw/zinc/55/39/81/564553981.db2.gz KADWLGRCUGBPGM-CYBMUJFWSA-N 1 0 382.448 2.649 20 0 GFADRO CC[C@H]1C[N@H+](C)CCCN1S(=O)(=O)c1cc(F)ccc1Br ZINC000518441880 564554122 /nfs/dbraw/zinc/55/41/22/564554122.db2.gz PYAFJSUUODWUEI-LBPRGKRZSA-N 1 0 379.295 2.693 20 0 GFADRO C[C@@]1(C[C@H]2CCC[N@@H+]2Cc2csc(-c3ccsc3)n2)NC(=O)NC1=O ZINC000571567474 564557444 /nfs/dbraw/zinc/55/74/44/564557444.db2.gz MSDDOGCUPGTWKI-DYVFJYSZSA-N 1 0 376.507 2.824 20 0 GFADRO CC(C)N(CC[NH+](C)C)C(=O)Nc1ccn(-c2ccc(Br)cc2)n1 ZINC000455617132 564560533 /nfs/dbraw/zinc/56/05/33/564560533.db2.gz IJDKOBDRUYOAJE-UHFFFAOYSA-N 1 0 394.317 3.439 20 0 GFADRO CC[C@H](Cc1ccccc1Br)N(C)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000518942752 564565859 /nfs/dbraw/zinc/56/58/59/564565859.db2.gz MGQKHVULSKWKQC-HZPDHXFCSA-N 1 0 398.345 2.790 20 0 GFADRO CS[C@H]1CN(C(=O)C(=O)c2ccc(Br)cc2)C[C@@H]1[NH+]1CCCC1 ZINC000483394702 564566498 /nfs/dbraw/zinc/56/64/98/564566498.db2.gz LLZQUJJHXKUBPZ-GJZGRUSLSA-N 1 0 397.338 2.670 20 0 GFADRO CCO[C@H](C)c1nc(CC(=O)N2C[C@H](SC)[C@@H]([NH+]3CCCC3)C2)cs1 ZINC000483410572 564567454 /nfs/dbraw/zinc/56/74/54/564567454.db2.gz QYPMCSVLZJFJQM-KBMXLJTQSA-N 1 0 383.583 2.821 20 0 GFADRO O=S1(=O)CC[C@H]([NH2+][C@H]2CCC[C@H]2CCO)c2cc(Br)ccc21 ZINC000548636875 564568456 /nfs/dbraw/zinc/56/84/56/564568456.db2.gz WVLVVJOOOIUXBA-CQDKDKBSSA-N 1 0 388.327 2.808 20 0 GFADRO [NH3+]CC[C@H]1CCCN(C(=O)c2cn(-c3ccc(Br)cc3)cn2)C1 ZINC000571917614 564572518 /nfs/dbraw/zinc/57/25/18/564572518.db2.gz FHMYVLQMAKKWCX-CYBMUJFWSA-N 1 0 377.286 2.836 20 0 GFADRO CC(C)(O)C[NH+]1CCN(C(=O)CCOc2cccc(Cl)c2Cl)CC1 ZINC000519284337 564574391 /nfs/dbraw/zinc/57/43/91/564574391.db2.gz UGVFYZOIJWJXLV-UHFFFAOYSA-N 1 0 375.296 2.677 20 0 GFADRO C[N@H+](CCn1cc(Br)cn1)C[C@H](O)COc1ccc(Cl)cc1 ZINC000571956791 564574367 /nfs/dbraw/zinc/57/43/67/564574367.db2.gz IFDYPIHQLKNKHH-AWEZNQCLSA-N 1 0 388.693 2.671 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@@H](C)Oc1ccccc1Br ZINC000483819403 564575383 /nfs/dbraw/zinc/57/53/83/564575383.db2.gz NILBFJTXKNCGOU-ZIAGYGMSSA-N 1 0 384.318 3.000 20 0 GFADRO O=c1cc(C[NH2+][C@H]2CCCC23CCOCC3)nc2ccc(Br)cn12 ZINC000548800552 564575982 /nfs/dbraw/zinc/57/59/82/564575982.db2.gz FOOHABQSQAKJOZ-HNNXBMFYSA-N 1 0 392.297 2.896 20 0 GFADRO O=C(CC[NH2+]C[C@H](O)COc1ccccc1)Nc1ccc(Br)cc1 ZINC000548826266 564576566 /nfs/dbraw/zinc/57/65/66/564576566.db2.gz IITVWWCTUOXIER-INIZCTEOSA-N 1 0 393.281 2.807 20 0 GFADRO C[C@@H](c1ccc(Br)cc1)N1CC[NH+](CCCC(=O)N(C)C)CC1 ZINC000572012381 564577031 /nfs/dbraw/zinc/57/70/31/564577031.db2.gz XRBYVOJEFDAWCF-HNNXBMFYSA-N 1 0 382.346 2.996 20 0 GFADRO COC(=O)[C@H](c1ccc(Cl)c(Cl)c1)N(C)C1CC[NH+](CCO)CC1 ZINC000483947100 564577951 /nfs/dbraw/zinc/57/79/51/564577951.db2.gz PIXJJYOMLZRSNM-INIZCTEOSA-N 1 0 375.296 2.596 20 0 GFADRO CC[C@H]([NH3+])CNS(=O)(=O)c1ccc(Br)c(Cl)c1Cl ZINC000572038503 564578791 /nfs/dbraw/zinc/57/87/91/564578791.db2.gz KGLYDTSYMNPNQT-LURJTMIESA-N 1 0 376.103 2.772 20 0 GFADRO C[C@H](Cn1ccnc1)[NH2+]C[C@H](O)COc1ccc(Cl)cc1Br ZINC000572148959 564583382 /nfs/dbraw/zinc/58/33/82/564583382.db2.gz LLCABOVFVDQZAH-YPMHNXCESA-N 1 0 388.693 2.717 20 0 GFADRO O=C(N[C@@H](CO)c1ccc(Br)c(F)c1)C1CC[NH+](C2CC2)CC1 ZINC000572146759 564583631 /nfs/dbraw/zinc/58/36/31/564583631.db2.gz CMVZUXUQAOAPTM-INIZCTEOSA-N 1 0 385.277 2.612 20 0 GFADRO Cc1cc(C(C)(C)[NH2+]CC(=O)NCC(=O)NC(C)(C)C)ccc1Br ZINC000519616255 564584052 /nfs/dbraw/zinc/58/40/52/564584052.db2.gz UKPOUKMYJKKTLC-UHFFFAOYSA-N 1 0 398.345 2.613 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000519640270 564585120 /nfs/dbraw/zinc/58/51/20/564585120.db2.gz BNMKRPXVIGJZHF-CABCVRRESA-N 1 0 389.297 2.910 20 0 GFADRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N1CCOc2ccc(Br)cc2C1 ZINC000549224962 564588585 /nfs/dbraw/zinc/58/85/85/564588585.db2.gz VEOUQFPURPRAIX-MLGOLLRUSA-N 1 0 394.313 2.836 20 0 GFADRO O=C(CC[N@@H+]1CC[C@H](N2CCCC2=O)C1)Nc1ccc(Br)cc1F ZINC000572369263 564592138 /nfs/dbraw/zinc/59/21/38/564592138.db2.gz HNAHWVQPNMBZCR-ZDUSSCGKSA-N 1 0 398.276 2.614 20 0 GFADRO CCO[C@H]1COCC[C@H]1[NH2+]CC(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000484625430 564592775 /nfs/dbraw/zinc/59/27/75/564592775.db2.gz VZDZUDJZRZHDIL-OCCSQVGLSA-N 1 0 378.803 2.664 20 0 GFADRO CS[C@@H]1CN([C@H]2CCN(c3ccccc3Cl)C2=O)C[C@@H]1[NH+]1CCCC1 ZINC000484631745 564592804 /nfs/dbraw/zinc/59/28/04/564592804.db2.gz JDKICUUWNIMSDS-OKZBNKHCSA-N 1 0 379.957 2.957 20 0 GFADRO FC(F)(F)c1cc(NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)ncc1Br ZINC000572397942 564593501 /nfs/dbraw/zinc/59/35/01/564593501.db2.gz RTJOKXFAIINEAU-AOOOYVTPSA-N 1 0 380.208 3.138 20 0 GFADRO C[C@@H](CO)CCC[NH2+]C[C@H](O)COc1ccc(Cl)cc1Br ZINC000572475380 564595866 /nfs/dbraw/zinc/59/58/66/564595866.db2.gz APIYOEGADMQIPC-YPMHNXCESA-N 1 0 380.710 2.840 20 0 GFADRO C[C@@H]1CN(Cc2nc(-c3cccc(Br)c3)c[nH]2)[C@@H](C)C[N@@H+]1CCO ZINC000572466849 564595877 /nfs/dbraw/zinc/59/58/77/564595877.db2.gz NFXSKVNNEOQGJV-KGLIPLIRSA-N 1 0 393.329 2.726 20 0 GFADRO CC(C)(C)OC(=O)[C@](C)(O)C[NH2+]CC1=Cc2cc(Br)ccc2OC1 ZINC000484731561 564596454 /nfs/dbraw/zinc/59/64/54/564596454.db2.gz WMKAAPTZBQRLOI-GOSISDBHSA-N 1 0 398.297 2.907 20 0 GFADRO COCC[NH2+]C1CCN(C(=O)N[C@@H]2C[C@H]2c2ccccc2Br)CC1 ZINC000572489269 564596692 /nfs/dbraw/zinc/59/66/92/564596692.db2.gz LIANBDNZQDROSP-DOTOQJQBSA-N 1 0 396.329 2.715 20 0 GFADRO O=C(Nc1nc(SCc2ccccc2)ns1)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000572583875 564600484 /nfs/dbraw/zinc/60/04/84/564600484.db2.gz VUBOUNBSFQHKJA-ZIAGYGMSSA-N 1 0 375.523 2.904 20 0 GFADRO C[C@H]1C[N@H+](C)CCN1c1ccc(Br)cc1NC(=O)C1=CCOCC1 ZINC000456363781 564602411 /nfs/dbraw/zinc/60/24/11/564602411.db2.gz FYERKXICDCFXKU-ZDUSSCGKSA-N 1 0 394.313 2.875 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc(Br)ccc3OC(F)F)C[C@@H]21 ZINC000572646230 564603199 /nfs/dbraw/zinc/60/31/99/564603199.db2.gz QXTBFGCNBLBZNR-SKDRFNHKSA-N 1 0 375.213 2.827 20 0 GFADRO C[NH+](C)CCOC1CCN(C(=O)COc2ccc(Cl)cc2Cl)CC1 ZINC000485121488 564607316 /nfs/dbraw/zinc/60/73/16/564607316.db2.gz SWSIVIHWBMGFLP-UHFFFAOYSA-N 1 0 375.296 2.941 20 0 GFADRO Cc1cc(S(=O)(=O)NCC[C@H]2CCC[NH2+]C2)c(F)cc1Br ZINC000520580892 564608550 /nfs/dbraw/zinc/60/85/50/564608550.db2.gz STWAXLALHACBFD-LLVKDONJSA-N 1 0 379.295 2.565 20 0 GFADRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C(=O)NCc2ccc(Cl)cc2Cl)C1 ZINC000549913114 564608736 /nfs/dbraw/zinc/60/87/36/564608736.db2.gz WNJJLBXTMJXLFH-BBRMVZONSA-N 1 0 384.307 2.552 20 0 GFADRO O[C@H](C[NH2+][C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1)C(F)(F)F ZINC000572870616 564613256 /nfs/dbraw/zinc/61/32/56/564613256.db2.gz XHGVZGUBNITWNL-PSASIEDQSA-N 1 0 377.716 2.845 20 0 GFADRO CC[NH+](CC)CC[C@@H](CO)NC(=O)c1ccc(Br)c(C)c1F ZINC000572898765 564614800 /nfs/dbraw/zinc/61/48/00/564614800.db2.gz JNIKWHWEDDZXDU-LBPRGKRZSA-N 1 0 375.282 2.719 20 0 GFADRO C[NH+]1CCC(CC[NH2+]Cc2cn(-c3ccccc3Br)nn2)CC1 ZINC000572924483 564615417 /nfs/dbraw/zinc/61/54/17/564615417.db2.gz UKHZRPOAYAHXMU-UHFFFAOYSA-N 1 0 378.318 2.851 20 0 GFADRO CC[NH+](CC)C[C@H](C)NC(=O)C1(c2cccc(Br)c2)CC(=O)C1 ZINC000520899422 564615561 /nfs/dbraw/zinc/61/55/61/564615561.db2.gz ZADFEJZDKOPUHV-ZDUSSCGKSA-N 1 0 381.314 2.896 20 0 GFADRO CSCc1cnc(CNCc2ccc(C(=O)NCC[NH+](C)C)cc2)s1 ZINC000550155911 564616052 /nfs/dbraw/zinc/61/60/52/564616052.db2.gz FPSKZMIMUIVSIG-UHFFFAOYSA-N 1 0 378.567 2.587 20 0 GFADRO O=C(NCCC[C@H]1CCC[NH2+]1)c1ncc(Br)cc1Br ZINC000521028538 564617531 /nfs/dbraw/zinc/61/75/31/564617531.db2.gz RLEHAYXVOSYCRS-SNVBAGLBSA-N 1 0 391.107 2.869 20 0 GFADRO C[C@@H]1CN(Cc2noc(Cc3ccc(Br)cc3)n2)C[C@H](C)[N@H+]1C ZINC000550355412 564621670 /nfs/dbraw/zinc/62/16/70/564621670.db2.gz AWXDEGMIBQCFHF-BETUJISGSA-N 1 0 379.302 2.947 20 0 GFADRO O=C(NCCC[C@H]1CCC[NH2+]1)c1cn(-c2ccc(Br)cc2)cn1 ZINC000521227273 564622453 /nfs/dbraw/zinc/62/24/53/564622453.db2.gz BQZNYHQNRFAFTA-CQSZACIVSA-N 1 0 377.286 2.897 20 0 GFADRO CCCN([C@H]1CC[NH2+]C1)S(=O)(=O)c1cc(C)c(Br)cc1F ZINC000573089380 564622792 /nfs/dbraw/zinc/62/27/92/564622792.db2.gz DELMEODHGUSJHN-NSHDSACASA-N 1 0 379.295 2.659 20 0 GFADRO CC(C)[NH2+]CCCN[C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000521225683 564622980 /nfs/dbraw/zinc/62/29/80/564622980.db2.gz XVLCSUZYYGVPKU-AWEZNQCLSA-N 1 0 375.332 2.645 20 0 GFADRO COCCO[C@H]1COCC[C@H]1[NH2+]CC1=Cc2cc(Br)ccc2OC1 ZINC000485721899 564624839 /nfs/dbraw/zinc/62/48/39/564624839.db2.gz BQBLPQBVPRJTQH-AEFFLSMTSA-N 1 0 398.297 2.635 20 0 GFADRO CC(C)(CC[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Cl)S(C)(=O)=O ZINC000521426765 564626183 /nfs/dbraw/zinc/62/61/83/564626183.db2.gz OOUJPMHAXCXGKG-GFCCVEGCSA-N 1 0 384.325 2.536 20 0 GFADRO O=C(NC[C@@H]1C[NH2+]CCCO1)N[C@H](c1ccc(F)c(Cl)c1)C(F)(F)F ZINC000521407614 564626846 /nfs/dbraw/zinc/62/68/46/564626846.db2.gz ZMEGDBSAPPPAFY-GXFFZTMASA-N 1 0 383.773 2.760 20 0 GFADRO N[C@H](C(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1)c1cscn1 ZINC000573203360 564628480 /nfs/dbraw/zinc/62/84/80/564628480.db2.gz BYJCQQZHOIRQDF-KRWDZBQOSA-N 1 0 378.929 2.825 20 0 GFADRO Cc1c(Br)cccc1CN1C(=O)N[C@]2(CCCC[C@@H]2C[NH3+])C1=O ZINC000573203658 564628534 /nfs/dbraw/zinc/62/85/34/564628534.db2.gz PZKKQXDKMLQLFL-DYVFJYSZSA-N 1 0 380.286 2.697 20 0 GFADRO C[C@H](C(=O)NC(C)(C)C)N(C)CC(=O)N[C@@H](C)c1ccc(Br)cc1 ZINC000485882201 564629005 /nfs/dbraw/zinc/62/90/05/564629005.db2.gz PFCAOMJMKAKNAG-QWHCGFSZSA-N 1 0 398.345 2.861 20 0 GFADRO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)CNC(=O)c1cccc(Br)c1 ZINC000521682680 564633901 /nfs/dbraw/zinc/63/39/01/564633901.db2.gz BSXASHIMAHPMQD-KBPBESRZSA-N 1 0 396.329 2.558 20 0 GFADRO COCC[N@@H+]1CC[C@@H](NC(=O)[C@@H](Oc2ccccc2Br)C(C)C)C1 ZINC000521676952 564634482 /nfs/dbraw/zinc/63/44/82/564634482.db2.gz JROXXJQSXVJHJS-PBHICJAKSA-N 1 0 399.329 2.689 20 0 GFADRO Cn1ncc2c1CCC[C@H]2[NH2+]CCS(=O)(=O)c1cccc(Br)c1 ZINC000573358492 564634795 /nfs/dbraw/zinc/63/47/95/564634795.db2.gz PSIAMHSEQKZJDD-OAHLLOKOSA-N 1 0 398.326 2.624 20 0 GFADRO O=C(NCCOc1ccc(Br)cc1)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000573428445 564637787 /nfs/dbraw/zinc/63/77/87/564637787.db2.gz IBGRCQHDGYFBGB-UMVBOHGHSA-N 1 0 382.302 2.515 20 0 GFADRO COC(=O)c1cc(C[NH2+]C[C@H](O)COc2ccc(Br)cc2)oc1C ZINC000573476507 564640645 /nfs/dbraw/zinc/64/06/45/564640645.db2.gz LUYKOTJUNZLBDF-ZDUSSCGKSA-N 1 0 398.253 2.667 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C(=O)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000521999070 564641522 /nfs/dbraw/zinc/64/15/22/564641522.db2.gz XSZMMERZHPLPFM-RISCZKNCSA-N 1 0 377.286 2.814 20 0 GFADRO CC[N@@H+]1CCCN(C(=O)c2c(O)cnc3c(Br)cccc32)CC1 ZINC000486232543 564644462 /nfs/dbraw/zinc/64/44/62/564644462.db2.gz MVPCGYSVWBLJRV-UHFFFAOYSA-N 1 0 378.270 2.871 20 0 GFADRO Cc1cc(Br)c(C[NH2+][C@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)s1 ZINC000573675267 564648855 /nfs/dbraw/zinc/64/88/55/564648855.db2.gz GGEXMGFVBGHNRA-FZMZJTMJSA-N 1 0 394.356 2.645 20 0 GFADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]C1CCN(c2nccs2)CC1 ZINC000573669607 564648954 /nfs/dbraw/zinc/64/89/54/564648954.db2.gz DDSXIGGTUWOSNQ-GFCCVEGCSA-N 1 0 397.342 2.714 20 0 GFADRO COC(=O)c1cc(Br)cc(C(=O)NCCCC[N@H+](C)C2CC2)c1 ZINC000457166605 564650491 /nfs/dbraw/zinc/65/04/91/564650491.db2.gz KWQVTQSMBZQBIU-UHFFFAOYSA-N 1 0 383.286 2.840 20 0 GFADRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)Nc1cc(Br)c(C)cc1C ZINC000486386695 564650599 /nfs/dbraw/zinc/65/05/99/564650599.db2.gz LMERTXZWGXBOGP-CQSZACIVSA-N 1 0 396.329 2.995 20 0 GFADRO C[C@@H]1CC[N@H+](C)CCN1C(=O)C(=O)N[C@@H]1CCSc2ccc(Cl)cc21 ZINC000573705234 564650657 /nfs/dbraw/zinc/65/06/57/564650657.db2.gz HVJPMDUWDBUYEF-IUODEOHRSA-N 1 0 381.929 2.546 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)cc1Br ZINC000486389342 564650981 /nfs/dbraw/zinc/65/09/81/564650981.db2.gz PXAHXUWSOJPAHN-OLZOCXBDSA-N 1 0 382.302 2.603 20 0 GFADRO CC(C)[NH2+]CCCNC(=O)N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000573786151 564654430 /nfs/dbraw/zinc/65/44/30/564654430.db2.gz BQXUMFOKZLLUTE-HNNXBMFYSA-N 1 0 387.311 2.786 20 0 GFADRO CC(C)[C@H]1CN(C(=O)NCCOc2ncc(Cl)cc2Cl)CC[N@@H+]1C ZINC000486521254 564654925 /nfs/dbraw/zinc/65/49/25/564654925.db2.gz SHFOKMRLXUZHCA-CQSZACIVSA-N 1 0 375.300 2.749 20 0 GFADRO COCCC[C@H](C)[NH2+]CC(=O)Nc1ccc(I)cc1 ZINC000551572704 564654972 /nfs/dbraw/zinc/65/49/72/564654972.db2.gz JITHOQRQPPVBTB-NSHDSACASA-N 1 0 376.238 2.634 20 0 GFADRO C[N@H+](CC(=O)N1CCC[C@@H]1c1ccc(Br)cn1)[C@H]1CCSC1 ZINC000457320926 564655742 /nfs/dbraw/zinc/65/57/42/564655742.db2.gz AZLAKURZMBFYGH-DZGCQCFKSA-N 1 0 384.343 2.945 20 0 GFADRO CCC[N@H+](CC)C[C@@H](C)NS(=O)(=O)c1cc2c(cc1Cl)CCC(=O)N2 ZINC000573846905 564657234 /nfs/dbraw/zinc/65/72/34/564657234.db2.gz QJXMHLCVPSJJDJ-GFCCVEGCSA-N 1 0 387.933 2.623 20 0 GFADRO [NH3+][C@H]1CN(C(=O)c2cncc(Br)c2)CC[C@H]1c1ccc(F)cc1 ZINC000457363425 564658720 /nfs/dbraw/zinc/65/87/20/564658720.db2.gz KMVIRBKYRWOWJK-HOTGVXAUSA-N 1 0 378.245 2.940 20 0 GFADRO COc1cc(OC)c(S(=O)(=O)NCC2CC[NH+](C3CC3)CC2)cc1Cl ZINC000573904530 564658908 /nfs/dbraw/zinc/65/89/08/564658908.db2.gz JJSHEQNZYQNQAF-UHFFFAOYSA-N 1 0 388.917 2.510 20 0 GFADRO CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H](CCOC)c1ccc(Cl)c(Cl)c1 ZINC000551723847 564661720 /nfs/dbraw/zinc/66/17/20/564661720.db2.gz SNQVOECEKMLTPX-YGRLFVJLSA-N 1 0 376.284 2.895 20 0 GFADRO Cc1cc(S(=O)(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)c(C)cc1Br ZINC000486696684 564663333 /nfs/dbraw/zinc/66/33/33/564663333.db2.gz MVPVEYBJVINMBE-ZFWWWQNUSA-N 1 0 387.343 2.781 20 0 GFADRO COC(=O)c1ccc(C[NH2+][C@@H]2CCN(CC(F)(F)F)C2)c(Br)c1 ZINC000551787478 564663560 /nfs/dbraw/zinc/66/35/60/564663560.db2.gz ROEXSVNMMAGNEN-GFCCVEGCSA-N 1 0 395.219 2.962 20 0 GFADRO COC(=O)c1cn(CC[NH2+][C@@H](C)c2csc(-c3csc(C)n3)c2)nn1 ZINC000551813669 564664390 /nfs/dbraw/zinc/66/43/90/564664390.db2.gz PCQZIMRSDNURTK-JTQLQIEISA-N 1 0 377.495 2.909 20 0 GFADRO CC[C@@H]([NH2+]CCn1cc(C(=O)OC)nn1)c1cc(F)cc(Br)c1 ZINC000551813835 564664506 /nfs/dbraw/zinc/66/45/06/564664506.db2.gz XWIPVYJJKOSUPN-CYBMUJFWSA-N 1 0 385.237 2.707 20 0 GFADRO O=C(NCCC[NH+]1CCCC1)NCc1nc2c(cccc2Br)[nH]1 ZINC000457543400 564665297 /nfs/dbraw/zinc/66/52/97/564665297.db2.gz SQDBBJBJWLKUQF-UHFFFAOYSA-N 1 0 380.290 2.611 20 0 GFADRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1ccn(-c2ccc(Br)cc2)n1 ZINC000551823530 564665389 /nfs/dbraw/zinc/66/53/89/564665389.db2.gz JNGKMNPEIIYDHS-YVEFUNNKSA-N 1 0 389.297 2.847 20 0 GFADRO Cc1cc(Cl)ccc1S(=O)(=O)N(CC[NH+](C)C)CC(=O)OC(C)(C)C ZINC000523377701 564665952 /nfs/dbraw/zinc/66/59/52/564665952.db2.gz KMAOZHUZYSPLJF-UHFFFAOYSA-N 1 0 390.933 2.542 20 0 GFADRO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCCCOc1ncc(C(F)(F)F)cc1Cl ZINC000486794049 564666637 /nfs/dbraw/zinc/66/66/37/564666637.db2.gz LDBYZTVMVAEDAY-ZYHUDNBSSA-N 1 0 379.810 2.837 20 0 GFADRO CS(=O)(=O)c1cccc(OCCN2CCC[C@H](OCC(F)(F)F)C2)c1 ZINC000523441443 564667520 /nfs/dbraw/zinc/66/75/20/564667520.db2.gz SXHVMHNVWCBYRS-AWEZNQCLSA-N 1 0 381.416 2.512 20 0 GFADRO C[C@H](C[NH2+][C@@H](c1cccc(Br)c1)C1CCOCC1)S(C)(=O)=O ZINC000574097367 564667970 /nfs/dbraw/zinc/66/79/70/564667970.db2.gz XNJDJHUAUYDAJS-MLGOLLRUSA-N 1 0 390.343 2.940 20 0 GFADRO C[C@H](NC(=O)NC[C@H]1CCC[N@@H+]1CCCO)c1cccc(Br)c1 ZINC000457658939 564668258 /nfs/dbraw/zinc/66/82/58/564668258.db2.gz FCMSTQRZFWFVHC-XJKSGUPXSA-N 1 0 384.318 2.656 20 0 GFADRO CCNC(=O)C1(C[NH2+]Cc2cc(Br)c3c(c2)OCCO3)CCC1 ZINC000486892730 564669610 /nfs/dbraw/zinc/66/96/10/564669610.db2.gz IABLVOAVHQBAEN-UHFFFAOYSA-N 1 0 383.286 2.616 20 0 GFADRO Cc1nnc([C@@H]2CC[N@H+](CCC(=O)Nc3ccc(Br)cc3F)C2)[nH]1 ZINC000574168198 564670499 /nfs/dbraw/zinc/67/04/99/564670499.db2.gz GJMBEFQXKPHDPI-LLVKDONJSA-N 1 0 396.264 2.833 20 0 GFADRO CCC1(CC)[C@H]([NH2+]C[C@H]2CCN(S(=O)(=O)c3cccs3)C2)C[C@H]1OC ZINC000574180738 564671070 /nfs/dbraw/zinc/67/10/70/564671070.db2.gz HSRCAMMOIGMZCZ-BZUAXINKSA-N 1 0 386.583 2.942 20 0 GFADRO CC[NH+](CC)C[C@@H](C)NC(=O)[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000523660230 564671210 /nfs/dbraw/zinc/67/12/10/564671210.db2.gz MGNPSNOYUIUOQG-CJNGLKHVSA-N 1 0 396.329 2.649 20 0 GFADRO OC1(C[NH2+]C2CCN(Cc3ccc(Br)cc3)CC2)CCOCC1 ZINC000574392769 564671865 /nfs/dbraw/zinc/67/18/65/564671865.db2.gz FDIPHEWHHVNOFZ-UHFFFAOYSA-N 1 0 383.330 2.545 20 0 GFADRO O=S(=O)(c1cccs1)N1CC[C@H](C[NH2+]Cc2scnc2C2CC2)C1 ZINC000552016858 564673206 /nfs/dbraw/zinc/67/32/06/564673206.db2.gz UZHQIGBMZLUMOI-GFCCVEGCSA-N 1 0 383.564 2.882 20 0 GFADRO CCCC[N@H+](C)C[C@H](C)NC(=O)C(=O)Nc1cc(Br)ccc1F ZINC000574436856 564673590 /nfs/dbraw/zinc/67/35/90/564673590.db2.gz YNTCFNSNLBTNEM-NSHDSACASA-N 1 0 388.281 2.763 20 0 GFADRO CCOC(=O)C[C@H](NC(=O)[C@H]1C[N@H+](C)C[C@@H]1C)c1cccc(Br)c1 ZINC000487028955 564673714 /nfs/dbraw/zinc/67/37/14/564673714.db2.gz ZQMKAVBESNNERS-RCBQFDQVSA-N 1 0 397.313 2.757 20 0 GFADRO Clc1snnc1CN1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000552017825 564673787 /nfs/dbraw/zinc/67/37/87/564673787.db2.gz ZVCMJCHETIGSBZ-INIZCTEOSA-N 1 0 377.945 2.584 20 0 GFADRO CCO[C@H]1C[C@@]([NH3+])(C(=O)NCCNc2cccc(Br)c2)C1(C)C ZINC000574450660 564674154 /nfs/dbraw/zinc/67/41/54/564674154.db2.gz VNCWUNSHSVKWCN-WMLDXEAASA-N 1 0 384.318 2.510 20 0 GFADRO Cc1cc(S(=O)(=O)N2CCC[C@H]([NH+](C)C)C2)c(C)cc1Br ZINC000523937962 564674245 /nfs/dbraw/zinc/67/42/45/564674245.db2.gz OSKSEGXZLASEKV-ZDUSSCGKSA-N 1 0 375.332 2.781 20 0 GFADRO COc1ccc(CNC(=O)NCC[N@@H+]2CCC[C@H](C)C2)cc1Br ZINC000523885304 564674436 /nfs/dbraw/zinc/67/44/36/564674436.db2.gz AHZWESLDAISGFB-ZDUSSCGKSA-N 1 0 384.318 2.989 20 0 GFADRO CN(CC[NH+](C)C)c1ccc(Br)cc1NC(=O)[C@H]1CCC(=O)C1 ZINC000574455271 564674660 /nfs/dbraw/zinc/67/46/60/564674660.db2.gz XTTQBJWTAZTIGS-LBPRGKRZSA-N 1 0 382.302 2.755 20 0 GFADRO C[NH+](C)CCCOc1cnccc1CNS(=O)(=O)c1cccc(Cl)c1 ZINC000574480037 564675228 /nfs/dbraw/zinc/67/52/28/564675228.db2.gz GEHJSTGAXQLJBS-UHFFFAOYSA-N 1 0 383.901 2.544 20 0 GFADRO COc1c(Cl)cc(NC(=O)C(=O)NC[C@@H]2CC[N@@H+](C(C)C)C2)cc1Cl ZINC000523957795 564675261 /nfs/dbraw/zinc/67/52/61/564675261.db2.gz JBWKTFPEJDVBQH-NSHDSACASA-N 1 0 388.295 2.787 20 0 GFADRO C[C@@H](Cc1ccc(Br)cc1)[NH2+]C[C@@H]1CCCCN1S(C)(=O)=O ZINC000552097051 564676935 /nfs/dbraw/zinc/67/69/35/564676935.db2.gz RPAZGGMVWCWQIS-BBRMVZONSA-N 1 0 389.359 2.784 20 0 GFADRO CC[NH+]1C[C@@H](C)N(C(=O)Cc2ccc(I)cc2)[C@H](C)C1 ZINC000574526271 564677094 /nfs/dbraw/zinc/67/70/94/564677094.db2.gz XTPVWBLQHMUHBX-CHWSQXEVSA-N 1 0 386.277 2.775 20 0 GFADRO COCC[N@@H+]1CC[C@H](NC(=O)NC(C)(C)Cc2ccc(Br)cc2)C1 ZINC000524138091 564677362 /nfs/dbraw/zinc/67/73/62/564677362.db2.gz XRCFLWWPTSKRDH-INIZCTEOSA-N 1 0 398.345 2.790 20 0 GFADRO C[C@H](CNC(=O)NCc1nc2c(cccc2Br)[nH]1)C[NH+]1CCCC1 ZINC000457891276 564678308 /nfs/dbraw/zinc/67/83/08/564678308.db2.gz WPHHEXGPMYGIDK-GFCCVEGCSA-N 1 0 394.317 2.857 20 0 GFADRO CCC[N@H+](C)[C@H](CNS(=O)(=O)c1cn(C)nc1C)c1ccc(Cl)cc1 ZINC000574543297 564678556 /nfs/dbraw/zinc/67/85/56/564678556.db2.gz SZQFGNFMGKJKQI-MRXNPFEDSA-N 1 0 384.933 2.743 20 0 GFADRO Cc1cc(I)cc(C(=O)NCCNc2cc[nH+]cc2)c1C ZINC000487238259 564679850 /nfs/dbraw/zinc/67/98/50/564679850.db2.gz HDKUDRYSLINZSJ-UHFFFAOYSA-N 1 0 395.244 2.567 20 0 GFADRO CC1(C)CCC[C@@]1(O)CNC(=O)NCc1cn2cc(Br)ccc2n1 ZINC000457920733 564679824 /nfs/dbraw/zinc/67/98/24/564679824.db2.gz UDGGJSLVYROYKP-QGZVFWFLSA-N 1 0 395.301 2.837 20 0 GFADRO CCC[N@@H+]1CCC[C@H]1C(=O)NCc1cc(OC)c(OC)cc1Br ZINC000524286399 564680078 /nfs/dbraw/zinc/68/00/78/564680078.db2.gz BNPKTXUQDKURFY-AWEZNQCLSA-N 1 0 385.302 2.957 20 0 GFADRO Cc1csc(=O)n1CCC(=O)NC[C@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000552207588 564681598 /nfs/dbraw/zinc/68/15/98/564681598.db2.gz VLIDAUWSKONFKW-OAHLLOKOSA-N 1 0 381.929 2.723 20 0 GFADRO Cc1nc(-c2cnn(C)c2)sc1C(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000524522869 564682931 /nfs/dbraw/zinc/68/29/31/564682931.db2.gz PLQBSOSQXORQCM-AWEZNQCLSA-N 1 0 375.523 2.946 20 0 GFADRO C[C@@H]1C[C@@H](N(C)C(=O)c2cc(=O)c3cc(Br)ccc3[nH]2)CC[N@@H+]1C ZINC000524655145 564684282 /nfs/dbraw/zinc/68/42/82/564684282.db2.gz XQSMJBHOAPVROF-YPMHNXCESA-N 1 0 392.297 2.845 20 0 GFADRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)N(CCO)Cc1cccc(Br)c1 ZINC000487397735 564685872 /nfs/dbraw/zinc/68/58/72/564685872.db2.gz OVBPYBULORYUDE-IRXDYDNUSA-N 1 0 396.329 2.580 20 0 GFADRO O=S(=O)(C1CC1)N1CCC[C@@H]([NH2+][C@@H]2CCc3ccc(Br)cc32)C1 ZINC000552321399 564686174 /nfs/dbraw/zinc/68/61/74/564686174.db2.gz PQPORYJJDLVWAY-RHSMWYFYSA-N 1 0 399.354 2.983 20 0 GFADRO O=C(Nc1nnc(-c2cccc(Cl)c2)s1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000574740804 564687090 /nfs/dbraw/zinc/68/70/90/564687090.db2.gz MWQADEFZYCWZTM-KRWDZBQOSA-N 1 0 377.901 3.466 20 0 GFADRO CSc1ncc(Cl)c(C(=O)N2CCC(OCC[NH+]3CCCC3)CC2)n1 ZINC000524776306 564687369 /nfs/dbraw/zinc/68/73/69/564687369.db2.gz PRCWEJGOVRGTAI-UHFFFAOYSA-N 1 0 384.933 2.569 20 0 GFADRO O=C(N[C@H]1C[NH2+]CCC1(F)F)c1[nH]nc(-c2ccccc2)c1Br ZINC000574754445 564687727 /nfs/dbraw/zinc/68/77/27/564687727.db2.gz DDUVTGFZUNSXHV-JTQLQIEISA-N 1 0 385.212 2.566 20 0 GFADRO Cc1cc(N2C[C@@H](C(=O)NCC[NH2+]C(C)(C)C)CC2=O)ccc1Br ZINC000524818184 564688306 /nfs/dbraw/zinc/68/83/06/564688306.db2.gz LVQJFOLASZCWKW-ZDUSSCGKSA-N 1 0 396.329 2.615 20 0 GFADRO CC[NH+]1CCN(CC(=O)N[C@@H](CCOC)c2ccc(Cl)c(Cl)c2)CC1 ZINC000552397008 564689505 /nfs/dbraw/zinc/68/95/05/564689505.db2.gz NBBUVCKZIRXLKN-KRWDZBQOSA-N 1 0 388.339 2.825 20 0 GFADRO Cc1ccc(C[C@H](CO)[NH2+]C[C@H](O)COc2ccc(Br)cc2)cc1 ZINC000575046273 564691711 /nfs/dbraw/zinc/69/17/11/564691711.db2.gz JFMWGGQUICPRFQ-MSOLQXFVSA-N 1 0 394.309 2.690 20 0 GFADRO C[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1)c1c(Cl)cccc1Cl ZINC000552471655 564692239 /nfs/dbraw/zinc/69/22/39/564692239.db2.gz SABWZVDIXXDZOZ-VXGBXAGGSA-N 1 0 384.307 2.566 20 0 GFADRO CCCC[N@H+](C)CCNC(=O)C(=O)N[C@@H]1CCSc2ccc(Cl)cc21 ZINC000552474102 564692571 /nfs/dbraw/zinc/69/25/71/564692571.db2.gz JQTOMZQRIANFGA-OAHLLOKOSA-N 1 0 383.945 2.841 20 0 GFADRO CCn1c(SCC(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)nnc1-c1cccs1 ZINC000525106365 564692814 /nfs/dbraw/zinc/69/28/14/564692814.db2.gz OMCLCBGIWYROKL-QWHCGFSZSA-N 1 0 379.555 2.718 20 0 GFADRO COc1cc(Br)c(C(=O)NCC[C@@H]2CCC[N@H+](C)C2)cc1OC ZINC000458204987 564693519 /nfs/dbraw/zinc/69/35/19/564693519.db2.gz KRDSZAKDLODTOP-LBPRGKRZSA-N 1 0 385.302 2.928 20 0 GFADRO O=C(NCc1cc(Br)cs1)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000525177658 564693949 /nfs/dbraw/zinc/69/39/49/564693949.db2.gz KLOWSKXJOKBNDX-KRWDZBQOSA-N 1 0 395.322 2.764 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)NCCc2cc(Cl)cc(Cl)c2)C1 ZINC000552507733 564694186 /nfs/dbraw/zinc/69/41/86/564694186.db2.gz OJHVSLFEBOJHRD-JKSUJKDBSA-N 1 0 386.323 2.641 20 0 GFADRO C[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000552523291 564694188 /nfs/dbraw/zinc/69/41/88/564694188.db2.gz CTVFZFGDNMGVAD-SWLSCSKDSA-N 1 0 386.323 2.593 20 0 GFADRO C[N@@H+]1CCC[C@@H](CCNC(=O)C(C)(C)S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000458212251 564694303 /nfs/dbraw/zinc/69/43/03/564694303.db2.gz RJKYHDASRBSQBG-AWEZNQCLSA-N 1 0 386.945 2.740 20 0 GFADRO C[N@@H+]1CCC[C@@H](CCNC(=O)Cc2cccc(I)c2)C1 ZINC000458228479 564694449 /nfs/dbraw/zinc/69/44/49/564694449.db2.gz UPUNQCYYKJKDRE-ZDUSSCGKSA-N 1 0 386.277 2.682 20 0 GFADRO COC(=O)CCN(Cc1cccc(Br)c1)C(=O)[C@@H]1C[N@H+](C)C[C@@H]1C ZINC000487692569 564695068 /nfs/dbraw/zinc/69/50/68/564695068.db2.gz ILQSSYATBMJTSH-XJKSGUPXSA-N 1 0 397.313 2.539 20 0 GFADRO COC(=O)C[C@H](NC(=O)CCCC[NH+](C)C)c1ccc(Br)cc1 ZINC000552539637 564695085 /nfs/dbraw/zinc/69/50/85/564695085.db2.gz UVJLHBRSMRDPSY-HNNXBMFYSA-N 1 0 385.302 2.901 20 0 GFADRO CCCN(CC[NH+](C)C)C(=O)[C@H]1CSCN1C(=O)c1ccc(Cl)cc1 ZINC000525348929 564698924 /nfs/dbraw/zinc/69/89/24/564698924.db2.gz KRBQCOVWWVEWFA-MRXNPFEDSA-N 1 0 383.945 2.655 20 0 GFADRO COc1cc(Br)ccc1CNC(=O)NCC[N@@H+]1CCC[C@H](C)C1 ZINC000487944541 564699734 /nfs/dbraw/zinc/69/97/34/564699734.db2.gz JIHOTAHWMWPTRR-ZDUSSCGKSA-N 1 0 384.318 2.989 20 0 GFADRO CN1CCN(c2ncc(Br)cc2NC(=O)N2C3CCC2CC3)CC1 ZINC000575631830 564701213 /nfs/dbraw/zinc/70/12/13/564701213.db2.gz ZCVMNANWNFBWOO-UHFFFAOYSA-N 1 0 394.317 2.755 20 0 GFADRO COCC[C@@H](Cc1cccc(Br)c1)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000525477067 564701960 /nfs/dbraw/zinc/70/19/60/564701960.db2.gz SYVDXMUVKYISQJ-RDJZCZTQSA-N 1 0 395.341 2.997 20 0 GFADRO CC[C@H](NC(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1)[C@@H](O)C(F)F ZINC000458446276 564702793 /nfs/dbraw/zinc/70/27/93/564702793.db2.gz ZTTMYRPZKNWSDF-DDHJSBNISA-N 1 0 375.485 2.835 20 0 GFADRO COC[C@H](C)OC[C@H](O)C[NH2+][C@H]1C[C@H](c2ccc(F)c(Br)c2)C1 ZINC000575743722 564703255 /nfs/dbraw/zinc/70/32/55/564703255.db2.gz ZEIWLWLJWDLHAF-CYUUQNCZSA-N 1 0 390.293 2.836 20 0 GFADRO Cc1cc(CNC(=O)NC[C@@]2([NH+](C)C)CCSC2)ccc1Br ZINC000458519538 564704133 /nfs/dbraw/zinc/70/41/33/564704133.db2.gz RSQMPSSMWBLBSS-INIZCTEOSA-N 1 0 386.359 2.994 20 0 GFADRO CC(C)[N@H+]1C[C@H](NC(=O)NCc2nc3c(cccc3Br)[nH]2)[C@@H](C)C1 ZINC000458532734 564705217 /nfs/dbraw/zinc/70/52/17/564705217.db2.gz JYYNHSXODRBFMW-FZMZJTMJSA-N 1 0 394.317 2.853 20 0 GFADRO COC(=O)c1cc(NC(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)ccc1Br ZINC000552969316 564705294 /nfs/dbraw/zinc/70/52/94/564705294.db2.gz MJOMVDDZFJWVPD-JQWIXIFHSA-N 1 0 384.274 2.840 20 0 GFADRO OCC[N@@H+](Cc1cccc(Br)c1)C[C@@H](O)COc1ccccc1F ZINC000488186016 564706083 /nfs/dbraw/zinc/70/60/83/564706083.db2.gz LCSCFANHAIHPJU-MRXNPFEDSA-N 1 0 398.272 2.822 20 0 GFADRO C[N@@H+]1CCC[C@@H](CCNC(=O)NCCOc2ncc(Cl)cc2Cl)C1 ZINC000458552910 564706585 /nfs/dbraw/zinc/70/65/85/564706585.db2.gz DFCRNESRVVEHHH-LBPRGKRZSA-N 1 0 375.300 2.798 20 0 GFADRO C[NH+](C)CC(C)(C)NC(=O)N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000458638356 564709901 /nfs/dbraw/zinc/70/99/01/564709901.db2.gz SJJIVGYYHCQHGF-AWEZNQCLSA-N 1 0 387.311 2.738 20 0 GFADRO CC[C@@H](C)[C@H]([NH2+]CCNS(=O)(=O)c1cnn(C)c1)c1ccc(Cl)cc1 ZINC000576250199 564710284 /nfs/dbraw/zinc/71/02/84/564710284.db2.gz HXAGPCHFXHWJHA-DYVFJYSZSA-N 1 0 384.933 2.729 20 0 GFADRO Cc1[nH]ccc(=NC(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)c1Br ZINC000525847540 564710349 /nfs/dbraw/zinc/71/03/49/564710349.db2.gz FTYJYVOFCRORMV-CQSZACIVSA-N 1 0 381.318 2.914 20 0 GFADRO Cc1nn(C)c(C)c1C[C@@H](C)[NH2+]C[C@@H](O)COc1ccc(Br)cc1 ZINC000576271728 564711014 /nfs/dbraw/zinc/71/10/14/564711014.db2.gz JBXSKBASOLSRAR-MLGOLLRUSA-N 1 0 396.329 2.760 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+][C@@H](CO)[C@H]1CCCOC1 ZINC000576287296 564712288 /nfs/dbraw/zinc/71/22/88/564712288.db2.gz IHCLMXRTPMKIHT-KSSFIOAISA-N 1 0 394.313 2.820 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1CCNC(=O)Cc1ccc(I)cc1 ZINC000488504014 564712863 /nfs/dbraw/zinc/71/28/63/564712863.db2.gz WHQDJHBJEHUUQA-CYBMUJFWSA-N 1 0 386.277 2.824 20 0 GFADRO CCCN(C(=O)c1cn(-c2ccc(Br)cc2)cn1)[C@@H]1CC[NH2+]C1 ZINC000576458334 564713975 /nfs/dbraw/zinc/71/39/75/564713975.db2.gz SYJLCXAJZAPCFX-OAHLLOKOSA-N 1 0 377.286 2.849 20 0 GFADRO O=C(Nc1ccc(Cn2ccnc2)cn1)c1cn2ccc(Br)cc2n1 ZINC000553278719 564715026 /nfs/dbraw/zinc/71/50/26/564715026.db2.gz BSCOHAKMVJERHH-UHFFFAOYSA-N 1 0 397.236 2.989 20 0 GFADRO Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)N1CC[C@H](c2nccn2C)C1 ZINC000576556899 564715489 /nfs/dbraw/zinc/71/54/89/564715489.db2.gz SVBMPNMHIQVIBM-JTQLQIEISA-N 1 0 375.782 2.613 20 0 GFADRO Cn1ccnc1Sc1ncc(C(=O)NCC[N@H+]2CC=CCC2)cc1Cl ZINC000526025274 564716068 /nfs/dbraw/zinc/71/60/68/564716068.db2.gz FLLRKMDNJBXNIT-UHFFFAOYSA-N 1 0 377.901 2.611 20 0 GFADRO CC[C@@H](C)[N@H+](C)CCNC(=O)N[C@@H](CO)c1ccc(Br)c(F)c1 ZINC000488642713 564716570 /nfs/dbraw/zinc/71/65/70/564716570.db2.gz KNTZBJLYCYULNO-ABAIWWIYSA-N 1 0 390.297 2.651 20 0 GFADRO C[NH+](C)CCCC(C)(C)NC(=O)NCCCCn1cc(Br)cn1 ZINC000458757166 564716891 /nfs/dbraw/zinc/71/68/91/564716891.db2.gz XNUJJKABXWQWDN-UHFFFAOYSA-N 1 0 388.354 2.845 20 0 GFADRO COCC[N@H+](C)CCNC(=O)N[C@@H]1c2cccc(Br)c2CC1(C)C ZINC000488691287 564717160 /nfs/dbraw/zinc/71/71/60/564717160.db2.gz YTTSGMLVGXDOMU-MRXNPFEDSA-N 1 0 398.345 2.950 20 0 GFADRO C[C@H]1C[C@H](NC(=O)NCCCC[N@H+](C)C2CC2)c2ccsc2S1(=O)=O ZINC000458794349 564719048 /nfs/dbraw/zinc/71/90/48/564719048.db2.gz VWKRGTILGOYBQI-WFASDCNBSA-N 1 0 385.555 2.529 20 0 GFADRO O=C(NCC[N@@H+]1CCCOCC1)N1CCSC[C@H]1c1ccc(Cl)cc1 ZINC000458835962 564719657 /nfs/dbraw/zinc/71/96/57/564719657.db2.gz FLZJBJYTXAVPBD-KRWDZBQOSA-N 1 0 383.945 2.862 20 0 GFADRO C[NH+](C)C1(CNC(=O)c2cc(=O)c3cc(Br)ccc3[nH]2)CCC1 ZINC000526120937 564721434 /nfs/dbraw/zinc/72/14/34/564721434.db2.gz YDDYDADCGITVBS-UHFFFAOYSA-N 1 0 378.270 2.505 20 0 GFADRO CCOC(=O)[C@H](C)[C@@H](C)[NH2+]Cc1cn(-c2ccccc2Br)nn1 ZINC000576992233 564722742 /nfs/dbraw/zinc/72/27/42/564722742.db2.gz XEIWFILMOKDJJX-VXGBXAGGSA-N 1 0 381.274 2.707 20 0 GFADRO CC[C@@H]1C[N@H+](CC)CCN1C(=O)NCc1nc(C)c(Br)s1 ZINC000458919608 564723855 /nfs/dbraw/zinc/72/38/55/564723855.db2.gz DTABKBLDVMMTKB-LLVKDONJSA-N 1 0 375.336 2.840 20 0 GFADRO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1nc(C)c(Br)s1 ZINC000458922639 564723977 /nfs/dbraw/zinc/72/39/77/564723977.db2.gz IJINRDVPKUFVEV-NWDGAFQWSA-N 1 0 387.347 2.982 20 0 GFADRO COCCC[N@H+](C)CCNC(=O)N1CCc2c(Br)cc(C)cc2C1 ZINC000488927555 564724246 /nfs/dbraw/zinc/72/42/46/564724246.db2.gz YAIPMRYTEJQAAK-UHFFFAOYSA-N 1 0 398.345 2.794 20 0 GFADRO O=C(C[NH2+]C[C@H]1CCCO1)N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000577097857 564724677 /nfs/dbraw/zinc/72/46/77/564724677.db2.gz SVTSEEZRMITLFI-NWDGAFQWSA-N 1 0 377.432 2.637 20 0 GFADRO O=C(NCCCn1cc(Br)cn1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000577123117 564725276 /nfs/dbraw/zinc/72/52/76/564725276.db2.gz CGODITNQWAWGKM-MRXNPFEDSA-N 1 0 391.313 2.674 20 0 GFADRO O=C(NC/C=C/c1ccc(Br)cc1)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000458958410 564725772 /nfs/dbraw/zinc/72/57/72/564725772.db2.gz AIWYFILILWZSDN-XMUUHYKESA-N 1 0 396.329 2.608 20 0 GFADRO Ic1cccc2ncnc(NCC34CCC[NH+]3CCC4)c12 ZINC000553565446 564726758 /nfs/dbraw/zinc/72/67/58/564726758.db2.gz AEWZMVYJRMNGMI-UHFFFAOYSA-N 1 0 394.260 3.275 20 0 GFADRO CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]CC(=O)Nc3ccccc3Br)[C@H]2C1 ZINC000577244639 564730982 /nfs/dbraw/zinc/73/09/82/564730982.db2.gz ZNQMFWQXYJVDRY-OFQRWUPVSA-N 1 0 394.313 2.624 20 0 GFADRO CCC[N@@H+]1CCC[C@H]1CNC(=O)Cc1ccc(I)cc1 ZINC000553692079 564732195 /nfs/dbraw/zinc/73/21/95/564732195.db2.gz SOVODUULXHCROG-HNNXBMFYSA-N 1 0 386.277 2.824 20 0 GFADRO CCC[N@H+](CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1)C(C)C ZINC000577290718 564732361 /nfs/dbraw/zinc/73/23/61/564732361.db2.gz VRQMEJJPJHYHCJ-UHFFFAOYSA-N 1 0 375.922 2.649 20 0 GFADRO CC(C)[C@@H]1CN(C(=O)c2csc(I)c2)CC[N@@H+]1C ZINC000489318534 564735242 /nfs/dbraw/zinc/73/52/42/564735242.db2.gz IDFNYDAPFAKXQV-NSHDSACASA-N 1 0 378.279 2.765 20 0 GFADRO CC(C)[C@@H]1CN(C(=O)NCc2nc3c(cccc3Br)[nH]2)CC[N@@H+]1C ZINC000459188725 564735311 /nfs/dbraw/zinc/73/53/11/564735311.db2.gz CLWLKIBNRXSDAC-AWEZNQCLSA-N 1 0 394.317 2.807 20 0 GFADRO CC[N@H+](CCOc1ccc(Br)cc1)[C@@H](C)C(=O)NC[C@@H]1CCCO1 ZINC000489328196 564735779 /nfs/dbraw/zinc/73/57/79/564735779.db2.gz KZBOTFVORJYHNS-YOEHRIQHSA-N 1 0 399.329 2.834 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)NCCOc2cccc(Br)c2)C1 ZINC000489337041 564736001 /nfs/dbraw/zinc/73/60/01/564736001.db2.gz ZRESUXQYMIIHRK-LSDHHAIUSA-N 1 0 384.318 3.000 20 0 GFADRO CN([C@@H]1CCC[N@H+](C)C1)S(=O)(=O)c1cc(Br)cc2cccnc21 ZINC000553840400 564739435 /nfs/dbraw/zinc/73/94/35/564739435.db2.gz UWIYSTPPMLBVIF-CQSZACIVSA-N 1 0 398.326 2.712 20 0 GFADRO C[C@@H]1C[C@@H](C[NH2+]CCS(=O)(=O)c2cccc(Br)c2)[C@H](C)O1 ZINC000578064701 564740117 /nfs/dbraw/zinc/74/01/17/564740117.db2.gz QANNWFJMSKONSY-AGIUHOORSA-N 1 0 376.316 2.626 20 0 GFADRO CC[C@H]([NH2+]Cc1cc(I)c(OC)c(OC)c1)C(C)(C)O ZINC000578146829 564741095 /nfs/dbraw/zinc/74/10/95/564741095.db2.gz CRXGJQLQZDHRCJ-ZDUSSCGKSA-N 1 0 393.265 2.948 20 0 GFADRO COc1cc(CN2CCC[C@@]3(CCS(=O)(=O)C3)C2)c(SC)cc1OC ZINC000578147838 564741212 /nfs/dbraw/zinc/74/12/12/564741212.db2.gz KSUHJLDZTCEDCJ-GOSISDBHSA-N 1 0 385.551 2.826 20 0 GFADRO Cc1[nH]c2ccc(Br)cc2c1CC(=O)NCC[N@@H+]1CCCOCC1 ZINC000527369302 564742177 /nfs/dbraw/zinc/74/21/77/564742177.db2.gz YQMJLMASBMJSAS-UHFFFAOYSA-N 1 0 394.313 2.620 20 0 GFADRO C[C@@H]1NC(=O)N(CC[NH2+][C@H](c2ccc(Br)cc2)C2CCC2)C1=O ZINC000459391550 564742942 /nfs/dbraw/zinc/74/29/42/564742942.db2.gz KHUYYFOCIFYYTJ-NHYWBVRUSA-N 1 0 380.286 2.820 20 0 GFADRO C[C@@H](NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1ccc(Br)c(F)c1 ZINC000489529203 564743108 /nfs/dbraw/zinc/74/31/08/564743108.db2.gz UIASIPNNMCWUEG-TZMCWYRMSA-N 1 0 386.309 2.826 20 0 GFADRO C[C@H]1NC(=O)N(CC[NH2+]C2(c3cc(C(F)(F)F)ccc3Cl)CC2)C1=O ZINC000459423956 564743794 /nfs/dbraw/zinc/74/37/94/564743794.db2.gz PRGIQCLONOOLOS-SECBINFHSA-N 1 0 375.778 2.878 20 0 GFADRO C[C@H]1C[C@H](N(C)S(=O)(=O)c2cccc(OC(F)(F)F)c2F)CC[N@@H+]1C ZINC000489607190 564745600 /nfs/dbraw/zinc/74/56/00/564745600.db2.gz FNVWHZFZROVBPL-WDEREUQCSA-N 1 0 384.395 2.828 20 0 GFADRO C[C@H](c1ccccc1Br)[NH+]1CCC(n2cnc(C(N)=O)c2N)CC1 ZINC000459458752 564745908 /nfs/dbraw/zinc/74/59/08/564745908.db2.gz YWZZUZFPQZMBDC-LLVKDONJSA-N 1 0 392.301 2.725 20 0 GFADRO CSC[C@H](O)C[NH+]1CCC(N2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC000459502749 564747833 /nfs/dbraw/zinc/74/78/33/564747833.db2.gz GLQBQNANQJIUQL-LJQANCHMSA-N 1 0 383.989 2.650 20 0 GFADRO O=S1(=O)C[C@H](CNCc2ccccc2Br)Oc2ccccc21 ZINC000579472825 564748110 /nfs/dbraw/zinc/74/81/10/564748110.db2.gz QRDXEPDEXCHHKA-ZDUSSCGKSA-N 1 0 382.279 2.774 20 0 GFADRO C[C@H](Cc1ccc(Br)c(F)c1)[NH2+]C[C@H]1CCCS(=O)(=O)C1 ZINC000554088514 564749856 /nfs/dbraw/zinc/74/98/56/564749856.db2.gz LTSSSVAVAPQAHJ-DGCLKSJQSA-N 1 0 378.307 2.934 20 0 GFADRO CCn1ccnc1[C@H](NCC[NH+](C)C)c1ccc(I)cc1 ZINC000554095616 564750397 /nfs/dbraw/zinc/75/03/97/564750397.db2.gz RIDNZBLXQRKXJJ-OAHLLOKOSA-N 1 0 398.292 2.748 20 0 GFADRO C[C@@H]([NH2+]CCn1nc2ccccn2c1=O)c1ccc(Br)cc1F ZINC000579639813 564750368 /nfs/dbraw/zinc/75/03/68/564750368.db2.gz DAVCUACPZKMKBT-LLVKDONJSA-N 1 0 379.233 2.748 20 0 GFADRO COCc1cc(C[NH2+]C[C@H](CO)Cc2cc(Br)ccc2OC)no1 ZINC000459561018 564750469 /nfs/dbraw/zinc/75/04/69/564750469.db2.gz BGVAZWOKRLPNRI-GFCCVEGCSA-N 1 0 399.285 2.533 20 0 GFADRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1cc2c(c(Br)c1)OCO2 ZINC000554112763 564750929 /nfs/dbraw/zinc/75/09/29/564750929.db2.gz SQINGNNYQYYSHN-RISCZKNCSA-N 1 0 381.270 2.877 20 0 GFADRO O[C@H](C[NH2+][C@H]1CCO[C@H](C(F)(F)F)C1)COc1ccccc1Br ZINC000554108668 564751187 /nfs/dbraw/zinc/75/11/87/564751187.db2.gz GLXCIZVQVFUPDH-WDMOLILDSA-N 1 0 398.219 2.888 20 0 GFADRO CCOc1cc(C[NH2+]C[C@@H](CO)c2cccnc2)cc(Br)c1O ZINC000459568051 564751330 /nfs/dbraw/zinc/75/13/30/564751330.db2.gz KRSLBZUHBKCMPC-AWEZNQCLSA-N 1 0 381.270 2.814 20 0 GFADRO CC[NH+](CC)CC[C@@H](CO)NC(=O)c1ccc(Br)c(Cl)c1 ZINC000579971157 564754361 /nfs/dbraw/zinc/75/43/61/564754361.db2.gz VSSFHKLEQCHOBR-LBPRGKRZSA-N 1 0 377.710 2.925 20 0 GFADRO Cc1cc(C[NH2+]CCc2ccc(S(=O)(=O)N3CCCCC3)s2)ccn1 ZINC000527665095 564754466 /nfs/dbraw/zinc/75/44/66/564754466.db2.gz GRUBSEYGQOTXRX-UHFFFAOYSA-N 1 0 379.551 2.958 20 0 GFADRO COCc1nc2n(n1)C[C@@H]([NH2+]Cc1ccc(Br)c(F)c1F)CC2 ZINC000527675131 564754479 /nfs/dbraw/zinc/75/44/79/564754479.db2.gz UFIKXSZCDUEHDT-JTQLQIEISA-N 1 0 387.228 2.570 20 0 GFADRO CNC(=O)[C@H](CCSC)[NH2+][C@@H](C)CC(=O)Nc1cc(Cl)ccc1OC ZINC000489827632 564754739 /nfs/dbraw/zinc/75/47/39/564754739.db2.gz NPILWMMNNSVYCT-AAEUAGOBSA-N 1 0 387.933 2.523 20 0 GFADRO C[NH2+]C[C@H]1CCCN(C(=O)c2ccc(-n3cc(Br)cn3)cc2)C1 ZINC000554294281 564756488 /nfs/dbraw/zinc/75/64/88/564756488.db2.gz LHGIKRIMUSZFIJ-CYBMUJFWSA-N 1 0 377.286 2.706 20 0 GFADRO CC(=O)NCC[C@@H]1CCC[N@H+](C[C@@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000554291994 564756624 /nfs/dbraw/zinc/75/66/24/564756624.db2.gz LRFXDNZYFZMEGU-GOEBONIOSA-N 1 0 389.323 2.971 20 0 GFADRO OC[C@@H](C[NH2+]Cc1cnc2cnccn12)Cc1cc(F)cc(Br)c1 ZINC000459705203 564757477 /nfs/dbraw/zinc/75/74/77/564757477.db2.gz QJNAJYHVUACHPR-CYBMUJFWSA-N 1 0 393.260 2.572 20 0 GFADRO CN1CCC(CCO)([NH2+]Cc2c[nH]nc2-c2ccc(Br)s2)CC1 ZINC000527723440 564758543 /nfs/dbraw/zinc/75/85/43/564758543.db2.gz DPKMLTXTRWVSSJ-UHFFFAOYSA-N 1 0 399.358 2.837 20 0 GFADRO Fc1cccc(Br)c1C[NH2+]CC1(N2CCOCC2)CCOCC1 ZINC000459718720 564758816 /nfs/dbraw/zinc/75/88/16/564758816.db2.gz SQZNCDMRJCURAC-UHFFFAOYSA-N 1 0 387.293 2.559 20 0 GFADRO CC[C@@H]1OCC[C@H]1[NH2+][C@H](C)C(=O)Nc1ccc(I)cc1 ZINC000459780774 564760614 /nfs/dbraw/zinc/76/06/14/564760614.db2.gz RUAUVEPVUZLFOE-HONMWMINSA-N 1 0 388.249 2.775 20 0 GFADRO COc1ccc([C@H](C)[NH2+]Cc2ccc(S(N)(=O)=O)c(Cl)c2)c(OC)c1 ZINC000527779160 564761391 /nfs/dbraw/zinc/76/13/91/564761391.db2.gz FWRSXWYZLSXNPG-NSHDSACASA-N 1 0 384.885 2.855 20 0 GFADRO CC(C)(C[NH2+]Cc1cc(Br)c2c(c1)OCCO2)C(=O)N1CCCC1 ZINC000527811268 564761626 /nfs/dbraw/zinc/76/16/26/564761626.db2.gz QABOWXTWXUTTGH-UHFFFAOYSA-N 1 0 397.313 2.959 20 0 GFADRO CC(C)Oc1cc(Br)cc(NC(=O)[C@@H]2C[N@@H+]3CCN2CCC3)c1 ZINC000490093786 564762783 /nfs/dbraw/zinc/76/27/83/564762783.db2.gz VVDUVUQYRZRKOW-INIZCTEOSA-N 1 0 382.302 2.565 20 0 GFADRO C[C@H]([NH2+]C[C@]1(CO)COCC2(CCC2)N1C)c1ccccc1Br ZINC000527953722 564764965 /nfs/dbraw/zinc/76/49/65/564764965.db2.gz XZPFBFIFEMRLNM-KSSFIOAISA-N 1 0 383.330 2.716 20 0 GFADRO C[C@@H]([NH2+]C[C@@]1(CO)COCC2(CCC2)N1C)c1ccc(Br)cc1 ZINC000527945094 564765144 /nfs/dbraw/zinc/76/51/44/564765144.db2.gz FOPMFBRRGZMVRX-RDTXWAMCSA-N 1 0 383.330 2.716 20 0 GFADRO C[C@H]([NH2+]C[C@]1(CO)COCC2(CCC2)N1C)c1cccc(Br)c1 ZINC000527943921 564765465 /nfs/dbraw/zinc/76/54/65/564765465.db2.gz CAHNKMKBRMXTBD-KSSFIOAISA-N 1 0 383.330 2.716 20 0 GFADRO CN(C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000554559879 564765930 /nfs/dbraw/zinc/76/59/30/564765930.db2.gz GHZIQWZUSRROKP-SSKCKEOISA-N 1 0 384.307 2.830 20 0 GFADRO C[C@@H]([NH2+]C[C@@]1(CO)COCC2(CCC2)N1C)c1cc(Br)cs1 ZINC000527954681 564766040 /nfs/dbraw/zinc/76/60/40/564766040.db2.gz MGBJVLCGUHLWJG-MLGOLLRUSA-N 1 0 389.359 2.777 20 0 GFADRO CC(C)[C@@H]1C[NH2+]CCN1S(=O)(=O)c1c(Cl)cccc1Br ZINC000528047551 564768274 /nfs/dbraw/zinc/76/82/74/564768274.db2.gz FXTOLSKOEUTYIS-LBPRGKRZSA-N 1 0 381.723 2.721 20 0 GFADRO O=S(=O)(c1cccc(Cl)c1Cl)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000528059595 564768874 /nfs/dbraw/zinc/76/88/74/564768874.db2.gz FQTANOQLMBFSSQ-CYBMUJFWSA-N 1 0 393.336 2.773 20 0 GFADRO C[NH+](C)CCCCNC(=O)CSc1nnc(-c2cccs2)n1C1CC1 ZINC000490398556 564770036 /nfs/dbraw/zinc/77/00/36/564770036.db2.gz LTEQTWKDFXGADE-UHFFFAOYSA-N 1 0 379.555 2.892 20 0 GFADRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]CC(=O)N(C)Cc3ccc(Cl)s3)[C@H]2C1 ZINC000554746161 564772731 /nfs/dbraw/zinc/77/27/31/564772731.db2.gz SGHQMYGKNAAGQN-BPUTZDHNSA-N 1 0 383.945 2.597 20 0 GFADRO O=C(NCCc1ccc(Br)s1)N1CCNC[C@@H]1c1cccnc1 ZINC000581000873 564783389 /nfs/dbraw/zinc/78/33/89/564783389.db2.gz VOWKREWFCKZYFI-CQSZACIVSA-N 1 0 395.326 2.804 20 0 GFADRO C[C@@H]1c2cc(Cl)cc(Cl)c2CCN1C(=O)C(=O)N1CCC[C@H](C[NH3+])C1 ZINC000581005974 564783704 /nfs/dbraw/zinc/78/37/04/564783704.db2.gz KUDQYZCUDDTJNP-VXGBXAGGSA-N 1 0 384.307 2.636 20 0 GFADRO CCc1ncc(S(=O)(=O)N(CCCc2ccccc2)CC[NH+](C)C)s1 ZINC000460939517 564785522 /nfs/dbraw/zinc/78/55/22/564785522.db2.gz NDOIYIJDXMDQNH-UHFFFAOYSA-N 1 0 381.567 2.891 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)[C@H](c2ccc(Br)cc2)N2CCCC2)CC[NH2+]1 ZINC000581071035 564786809 /nfs/dbraw/zinc/78/68/09/564786809.db2.gz JICKCEBGSUZKOJ-XYPHTWIQSA-N 1 0 380.330 2.843 20 0 GFADRO CN(CCC[NH+](C)C)C(=O)C(=O)Nc1ccc(-c2ccc(Cl)s2)nc1 ZINC000555274591 564788203 /nfs/dbraw/zinc/78/82/03/564788203.db2.gz XVXLGPCXLQXTKP-UHFFFAOYSA-N 1 0 380.901 2.812 20 0 GFADRO FC(F)Oc1ccc(CN2CCN([C@H]3CC[NH2+]C3)CC2)cc1Br ZINC000491182457 564788864 /nfs/dbraw/zinc/78/88/64/564788864.db2.gz KMPAZPOXMCVTCJ-ZDUSSCGKSA-N 1 0 390.272 2.530 20 0 GFADRO CC[C@@H]([NH2+]CCNS(=O)(=O)Cc1ccon1)c1cccc(Cl)c1F ZINC000461094672 564788995 /nfs/dbraw/zinc/78/89/95/564788995.db2.gz MOEFBDOFFLMSSI-CQSZACIVSA-N 1 0 375.853 2.627 20 0 GFADRO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@H](CCO)C1CCOCC1 ZINC000461100443 564789207 /nfs/dbraw/zinc/78/92/07/564789207.db2.gz XAJCAEWYDOJZNL-CXAGYDPISA-N 1 0 399.329 2.933 20 0 GFADRO CN(C[C@@H]1CC[N@H+](C)C1)C(=O)CCNc1ncc(C(F)(F)F)cc1Cl ZINC000461110840 564790177 /nfs/dbraw/zinc/79/01/77/564790177.db2.gz INSUIEVXYLTZKQ-LLVKDONJSA-N 1 0 378.826 2.966 20 0 GFADRO CC[C@@H](C(=O)N[C@H](C(=O)OC)c1ccc(Br)cc1)[NH+](CC)CC ZINC000461340898 564794392 /nfs/dbraw/zinc/79/43/92/564794392.db2.gz OECCXVKASNNGBI-GJZGRUSLSA-N 1 0 385.302 2.900 20 0 GFADRO CC[C@H]1C[N@H+](C)CCN1C(=O)[C@H]1CCN(c2cc(Cl)ccc2Cl)C1=O ZINC000581270921 564795121 /nfs/dbraw/zinc/79/51/21/564795121.db2.gz XCRDGMUVOMBLCB-UONOGXRCSA-N 1 0 384.307 2.899 20 0 GFADRO C[NH+](C)[C@@H](CNc1ccc(S(=O)(=O)NCC2CC2)cn1)c1ccsc1 ZINC000461451517 564797691 /nfs/dbraw/zinc/79/76/91/564797691.db2.gz DVBZNTFWPZUYTR-INIZCTEOSA-N 1 0 380.539 2.546 20 0 GFADRO CO[C@H](c1ccccc1)[C@H](C)[NH2+]CCNS(=O)(=O)c1cccc(Cl)c1 ZINC000492151702 564799767 /nfs/dbraw/zinc/79/97/67/564799767.db2.gz NDPABOPGBNLPHD-KSSFIOAISA-N 1 0 382.913 2.984 20 0 GFADRO CCC[N@H+](CC)C[C@H](C)NC(=O)c1cc2c(cc1Br)NC(=O)CO2 ZINC000461543774 564799781 /nfs/dbraw/zinc/79/97/81/564799781.db2.gz DYCSRMPYLZYKDK-NSHDSACASA-N 1 0 398.301 2.630 20 0 GFADRO O=c1cc(C[N@@H+]2CCOC[C@@H](C3CCC3)C2)nc2ccc(Br)cn12 ZINC000555653248 564800537 /nfs/dbraw/zinc/80/05/37/564800537.db2.gz IDDNLEQUIRTDNK-AWEZNQCLSA-N 1 0 392.297 2.706 20 0 GFADRO COCCOc1c(Cl)cc(NC(=O)NC2(C[NH3+])CCOCC2)cc1Cl ZINC000528684434 564800906 /nfs/dbraw/zinc/80/09/06/564800906.db2.gz FDEFXIVZAJBZRM-UHFFFAOYSA-N 1 0 392.283 2.648 20 0 GFADRO C[C@H](CNC(=O)C(=O)NCc1ccc(Cl)cc1Cl)[N@@H+]1CCC[C@H](C)C1 ZINC000581442784 564802634 /nfs/dbraw/zinc/80/26/34/564802634.db2.gz WDBNPQNXJLVECC-QWHCGFSZSA-N 1 0 386.323 2.846 20 0 GFADRO CSC1(CNC(=O)NCCc2nc3ccccc3s2)CC[NH+](C)CC1 ZINC000581461824 564803236 /nfs/dbraw/zinc/80/32/36/564803236.db2.gz LTPCKFMIWZOVOW-UHFFFAOYSA-N 1 0 378.567 2.965 20 0 GFADRO C[C@@H](CNS(=O)(=O)c1cccc(Cl)c1Br)[N@H+](C)C1CC1 ZINC000493108775 564805611 /nfs/dbraw/zinc/80/56/11/564805611.db2.gz XLOQPPXFGFXQSX-VIFPVBQESA-N 1 0 381.723 2.864 20 0 GFADRO O=S1(=O)C[C@@H](C[NH2+]Cc2cc(Br)cs2)Oc2ccccc21 ZINC000581488412 564805627 /nfs/dbraw/zinc/80/56/27/564805627.db2.gz HJROUFAMZRDMQK-LLVKDONJSA-N 1 0 388.308 2.835 20 0 GFADRO O[C@@H](C[NH2+]C[C@@H]1COc2ccccc2O1)COc1ccc(Br)cc1 ZINC000555888792 564807485 /nfs/dbraw/zinc/80/74/85/564807485.db2.gz AWXXUMBQPFDRRD-GOEBONIOSA-N 1 0 394.265 2.618 20 0 GFADRO CN(C)[C@@H](C[NH2+]C[C@@H](O)COc1ccc(Br)cc1)c1ccco1 ZINC000555889228 564807867 /nfs/dbraw/zinc/80/78/67/564807867.db2.gz MMSOYXYMOWPPTC-ZBFHGGJFSA-N 1 0 383.286 2.674 20 0 GFADRO O=C(NCc1cccc(Cl)c1Cl)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000555941325 564808787 /nfs/dbraw/zinc/80/87/87/564808787.db2.gz LFNIUVWFHHBZRD-AWEZNQCLSA-N 1 0 384.307 2.696 20 0 GFADRO COC(=O)[C@@H](NC(=O)C1CC[NH+](C(C)C)CC1)c1ccc(Br)cc1 ZINC000461977388 564809942 /nfs/dbraw/zinc/80/99/42/564809942.db2.gz AMASJLJHRHTXTJ-INIZCTEOSA-N 1 0 397.313 2.900 20 0 GFADRO [NH3+]CCC1CCN(C(=O)C(=O)Nc2cc(Cl)cc(Br)c2)CC1 ZINC000581672301 564813615 /nfs/dbraw/zinc/81/36/15/564813615.db2.gz CBYIAKBDLHWRRY-UHFFFAOYSA-N 1 0 388.693 2.628 20 0 GFADRO NC(=O)[C@@H]1CCC[N@H+](CCCNCc2ccc(Br)c(Cl)c2)C1 ZINC000494008216 564815568 /nfs/dbraw/zinc/81/55/68/564815568.db2.gz VJLQEEFSJNNKMR-CYBMUJFWSA-N 1 0 388.737 2.780 20 0 GFADRO CCc1cccc(OC[C@@H](O)C[NH2+]Cc2ccc(S(=O)(=O)CC)s2)c1 ZINC000581721731 564815664 /nfs/dbraw/zinc/81/56/64/564815664.db2.gz MVUPGNVDTAHVTG-HNNXBMFYSA-N 1 0 383.535 2.634 20 0 GFADRO COC[C@H]([NH2+]CCCS(=O)(=O)c1ccc(Cl)cc1)C1CCOCC1 ZINC000556261571 564816164 /nfs/dbraw/zinc/81/61/64/564816164.db2.gz SSCAJXYEGOEXBV-KRWDZBQOSA-N 1 0 375.918 2.535 20 0 GFADRO C[C@H]([NH2+][C@@]1(C)CCO[C@H]1C)C(=O)Nc1ccc(I)cc1 ZINC000494214519 564819140 /nfs/dbraw/zinc/81/91/40/564819140.db2.gz AYMUYJVZBIDVGH-PGUXBMHVSA-N 1 0 388.249 2.775 20 0 GFADRO CCC[NH+]1CCC(NS(=O)(=O)CCc2ccccc2Br)CC1 ZINC000462105541 564819341 /nfs/dbraw/zinc/81/93/41/564819341.db2.gz PDMGFUPGAWCQCV-UHFFFAOYSA-N 1 0 389.359 2.785 20 0 GFADRO CS(=O)(=O)Cc1nc(CN(CC[NH+]2CCCCCC2)C2CCC2)cs1 ZINC000581876181 564820524 /nfs/dbraw/zinc/82/05/24/564820524.db2.gz DWWIQZKLLPGDET-UHFFFAOYSA-N 1 0 385.599 2.918 20 0 GFADRO C[C@H](C(=O)NCc1cc(Br)ccc1Br)C1C[NH2+]C1 ZINC000581882558 564821952 /nfs/dbraw/zinc/82/19/52/564821952.db2.gz AYPFMZFXBQCYHF-QMMMGPOBSA-N 1 0 376.092 2.683 20 0 GFADRO C[C@@H]1C[N@H+](C[C@H](O)COc2cc(F)cc(Br)c2)CC2(CCC2)O1 ZINC000581942013 564824095 /nfs/dbraw/zinc/82/40/95/564824095.db2.gz QGXNMELZDDADAV-DOMZBBRYSA-N 1 0 388.277 2.971 20 0 GFADRO COC(=O)c1cc(Br)cc(C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)c1 ZINC000462195230 564826636 /nfs/dbraw/zinc/82/66/36/564826636.db2.gz ZLYCOZBDDMWFPP-GJZGRUSLSA-N 1 0 383.286 2.838 20 0 GFADRO [NH3+][C@@H]1CCO[C@H](C2CCN(C(=O)COc3cccc(Br)c3)CC2)C1 ZINC000581997406 564826791 /nfs/dbraw/zinc/82/67/91/564826791.db2.gz IHVPWOSABUBWMY-WBVHZDCISA-N 1 0 397.313 2.573 20 0 GFADRO Cc1cc(F)c(NC(=O)N(C)[C@H]2CC[NH2+]C2)c(I)c1 ZINC000582050244 564828320 /nfs/dbraw/zinc/82/83/20/564828320.db2.gz BJCNGRQOKRDHSU-VIFPVBQESA-N 1 0 377.201 2.564 20 0 GFADRO CCNC(=O)C[C@H]1CCCC[N@@H+]1C[C@@H](O)COc1ccc(Br)cc1 ZINC000556517409 564828916 /nfs/dbraw/zinc/82/89/16/564828916.db2.gz BJYSIRXPYMZRMV-HZPDHXFCSA-N 1 0 399.329 2.570 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CN(C(=O)N[C@@H](C)c2cc(F)c(Br)cc2F)CCO1 ZINC000529347461 564830239 /nfs/dbraw/zinc/83/02/39/564830239.db2.gz DMAXAKXLECMQSZ-FZNYLWTLSA-N 1 0 392.244 2.546 20 0 GFADRO C[C@H](NC(=O)N1CCCO[C@@H](C[NH3+])C1)c1cc(F)c(Br)cc1F ZINC000529346847 564830656 /nfs/dbraw/zinc/83/06/56/564830656.db2.gz FQQGBPOJKDCKKO-UWVGGRQHSA-N 1 0 392.244 2.548 20 0 GFADRO COc1ccc(Br)cc1CN(C)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000529359414 564830935 /nfs/dbraw/zinc/83/09/35/564830935.db2.gz RFZOMHPGWCEHAF-OAHLLOKOSA-N 1 0 382.302 2.884 20 0 GFADRO O=C(N[C@H]1CC[NH2+]C12CCC2)N1CCO[C@H](c2cccc(Br)c2)C1 ZINC000529366664 564831277 /nfs/dbraw/zinc/83/12/77/564831277.db2.gz OHVZKNSTPXSRDL-HOTGVXAUSA-N 1 0 394.313 2.817 20 0 GFADRO Cc1nc(NC(=O)N2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)sc1C(F)(F)F ZINC000582110305 564831386 /nfs/dbraw/zinc/83/13/86/564831386.db2.gz WLNYYDYWOXVMHJ-MNOVXSKESA-N 1 0 378.420 2.830 20 0 GFADRO [NH3+]CCC1CCN(C(=O)NCc2cc(F)c(Br)cc2F)CC1 ZINC000529371157 564831903 /nfs/dbraw/zinc/83/19/03/564831903.db2.gz WLKQGNYEZTUPMD-UHFFFAOYSA-N 1 0 376.245 2.998 20 0 GFADRO C[NH2+]C[C@H]1CCCN(C(=O)NCc2ccc(Br)c(F)c2F)C1 ZINC000529371093 564832230 /nfs/dbraw/zinc/83/22/30/564832230.db2.gz VCTMNIOCMFEMNR-SNVBAGLBSA-N 1 0 376.245 2.868 20 0 GFADRO COc1cc(Br)ccc1CCCNC(=O)[C@H]1CC12CC[NH2+]CC2 ZINC000582179936 564834400 /nfs/dbraw/zinc/83/44/00/564834400.db2.gz KDLZVUNHCFEGTC-OAHLLOKOSA-N 1 0 381.314 2.896 20 0 GFADRO Cc1cc(Br)cc2c1[C@H]([NH2+]C[C@H]1CCCN1S(C)(=O)=O)CC2 ZINC000494603995 564835111 /nfs/dbraw/zinc/83/51/11/564835111.db2.gz QIBJBHHADIBADH-HUUCEWRRSA-N 1 0 387.343 2.758 20 0 GFADRO O=C(CC[C@@H]1CCC[NH2+]1)NC[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000494671143 564835796 /nfs/dbraw/zinc/83/57/96/564835796.db2.gz VEHKIIKYFNAHRF-ZBFHGGJFSA-N 1 0 380.330 2.924 20 0 GFADRO CCOC(=O)c1sc(NC(=O)C[NH2+][C@@H](CO)c2sccc2C)cc1C ZINC000494639678 564835861 /nfs/dbraw/zinc/83/58/61/564835861.db2.gz ZHTJPFILUJEVQE-LBPRGKRZSA-N 1 0 382.507 2.865 20 0 GFADRO O=S(=O)(c1c(Cl)cc(F)cc1Br)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000462403204 564837217 /nfs/dbraw/zinc/83/72/17/564837217.db2.gz XOAGJKDGQXYBFP-ZDUSSCGKSA-N 1 0 397.697 2.616 20 0 GFADRO O=S(=O)(c1c(Cl)cc(F)cc1Br)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000462403200 564837394 /nfs/dbraw/zinc/83/73/94/564837394.db2.gz XOAGJKDGQXYBFP-CYBMUJFWSA-N 1 0 397.697 2.616 20 0 GFADRO O=S(=O)(c1csc(-c2ccc(Cl)cc2)n1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000462411426 564838175 /nfs/dbraw/zinc/83/81/75/564838175.db2.gz DKNOLBXESOEARR-MRXNPFEDSA-N 1 0 383.926 2.838 20 0 GFADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H](C)c1ncc(Br)cn1 ZINC000582286252 564839073 /nfs/dbraw/zinc/83/90/73/564839073.db2.gz FLIAMDIJSDHKED-YUTCNCBUSA-N 1 0 382.306 2.568 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCCN(c2ncnc3cccc(I)c32)C1 ZINC000582291335 564839084 /nfs/dbraw/zinc/83/90/84/564839084.db2.gz GOYIOQQFRHULJY-QWRGUYRKSA-N 1 0 382.249 2.798 20 0 GFADRO CNC(=O)[C@@]1(C)CC[N@H+](Cc2c[nH]nc2-c2ccc(Br)s2)C1 ZINC000529557308 564842236 /nfs/dbraw/zinc/84/22/36/564842236.db2.gz MEWBBVGNPTXQBE-HNNXBMFYSA-N 1 0 383.315 2.859 20 0 GFADRO Cc1cn2c(n1)[C@H](C[NH2+][C@H](C)Cn1cc(Br)ccc1=O)CCC2 ZINC000556876245 564844692 /nfs/dbraw/zinc/84/46/92/564844692.db2.gz KZVFNBUKZFRNRF-OCCSQVGLSA-N 1 0 379.302 2.671 20 0 GFADRO Cc1cn2c(n1)[C@@H](C[NH2+][C@@H](C)Cn1cc(Br)ccc1=O)CCC2 ZINC000556876232 564844760 /nfs/dbraw/zinc/84/47/60/564844760.db2.gz KZVFNBUKZFRNRF-GXTWGEPZSA-N 1 0 379.302 2.671 20 0 GFADRO C[C@@H]([NH2+]Cc1ccc(C[S@@](C)=O)cc1)c1ccc(NS(C)(=O)=O)cc1 ZINC000556898025 564846050 /nfs/dbraw/zinc/84/60/50/564846050.db2.gz DPJLAUXUNQNYGC-JBEBIEQOSA-N 1 0 380.535 2.787 20 0 GFADRO CC[NH2+]CCCNC(=O)c1c(C)nn(-c2ccc(Br)cc2)c1C ZINC000582420707 564846291 /nfs/dbraw/zinc/84/62/91/564846291.db2.gz FYBKBFPNQDYXSL-UHFFFAOYSA-N 1 0 379.302 2.981 20 0 GFADRO O[C@H](C[NH2+][C@H]1c2ccccc2C[C@H]1O)COc1cc(F)cc(Br)c1 ZINC000582420810 564846348 /nfs/dbraw/zinc/84/63/48/564846348.db2.gz JOJUBPLOULPLPQ-OLMNPRSZSA-N 1 0 396.256 2.576 20 0 GFADRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2ccc(Cl)c(F)c2Cl)CC12CCOCC2 ZINC000582420532 564846457 /nfs/dbraw/zinc/84/64/57/564846457.db2.gz UYZYWVZTCIZCGL-SNVBAGLBSA-N 1 0 397.299 2.509 20 0 GFADRO O=C(NCC1CC[NH2+]CC1)Nc1cc(F)c(F)cc1I ZINC000556974801 564848842 /nfs/dbraw/zinc/84/88/42/564848842.db2.gz WJCUGYBTIXCSDC-UHFFFAOYSA-N 1 0 395.191 2.691 20 0 GFADRO Cc1cc(N2C[C@H](C(=O)N[C@H](C)CCCC[NH3+])CC2=O)ccc1Br ZINC000495119342 564849169 /nfs/dbraw/zinc/84/91/69/564849169.db2.gz FZIILFWVFXGLNW-ZIAGYGMSSA-N 1 0 396.329 2.744 20 0 GFADRO CCC[N@H+](CC)C[C@H](C)NS(=O)(=O)c1cc(OC)c(OC)cc1Cl ZINC000582515655 564849990 /nfs/dbraw/zinc/84/99/90/564849990.db2.gz DUGPWCFHJPUAHO-LBPRGKRZSA-N 1 0 378.922 2.756 20 0 GFADRO CSCC[C@@H]([NH3+])C(=O)Nc1nc(-c2ccc3c(c2)CCC(=O)N3)cs1 ZINC000582545014 564851325 /nfs/dbraw/zinc/85/13/25/564851325.db2.gz HZYYMQMLCYMPCR-GFCCVEGCSA-N 1 0 376.507 2.714 20 0 GFADRO CC1([NH+]2CCOCC2)CCN(C(=O)c2c(F)cccc2Br)CC1 ZINC000529915190 564857111 /nfs/dbraw/zinc/85/71/11/564857111.db2.gz ZWRWYOJHHZVPAM-UHFFFAOYSA-N 1 0 385.277 2.915 20 0 GFADRO CC[C@@H]1CN(Cc2cc(Br)cc3c2OCC3)CC[N@@H+]1C[C@@H](C)O ZINC000462792974 564859141 /nfs/dbraw/zinc/85/91/41/564859141.db2.gz YPTQXZBPZWLMFK-CXAGYDPISA-N 1 0 383.330 2.661 20 0 GFADRO CS(=O)(=O)[C@H]1CCCC[C@H]1[NH2+]Cc1cc(Br)cc2c1OCC2 ZINC000462833479 564859593 /nfs/dbraw/zinc/85/95/93/564859593.db2.gz IYJQOLAVZOKDPR-CABCVRRESA-N 1 0 388.327 2.829 20 0 GFADRO Ic1ccc2ncnc(N3CC[NH+](C4CCC4)CC3)c2c1 ZINC000462843195 564859844 /nfs/dbraw/zinc/85/98/44/564859844.db2.gz FXOSKIVOVXQCHX-UHFFFAOYSA-N 1 0 394.260 2.909 20 0 GFADRO CC(=O)N1CCC[C@@H](C(=O)N[C@@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)C1 ZINC000530032998 564860128 /nfs/dbraw/zinc/86/01/28/564860128.db2.gz YMMOQRKVEZUFGV-PBHICJAKSA-N 1 0 386.323 2.971 20 0 GFADRO CCC(=O)N1CC[C@H](C(=O)N[C@@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)C1 ZINC000530031804 564860482 /nfs/dbraw/zinc/86/04/82/564860482.db2.gz NDTDUFQZGUGRHF-BBRMVZONSA-N 1 0 386.323 2.971 20 0 GFADRO CN(C)c1ncc(Br)cc1C(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000530028228 564860564 /nfs/dbraw/zinc/86/05/64/564860564.db2.gz IVZFXAXCBWSTEN-AWEZNQCLSA-N 1 0 381.318 2.657 20 0 GFADRO CCO[C@H](CC[NH+](C)C)CNC(=O)c1cc(Br)cc(N(C)C)c1 ZINC000557366849 564861061 /nfs/dbraw/zinc/86/10/61/564861061.db2.gz XGTLPIYXQMQLLQ-MRXNPFEDSA-N 1 0 386.334 2.602 20 0 GFADRO C[C@H]1C[NH+](CCCNC(=O)CCc2cccc(Br)c2)C[C@H](C)O1 ZINC000496672534 564861642 /nfs/dbraw/zinc/86/16/42/564861642.db2.gz JEKDBQUMUACCSQ-GJZGRUSLSA-N 1 0 383.330 2.997 20 0 GFADRO C[C@H]([NH2+]CC1CCN(S(C)(=O)=O)CC1)c1sccc1Br ZINC000582801712 564862669 /nfs/dbraw/zinc/86/26/69/564862669.db2.gz DOCFZUSRIJNTSQ-JTQLQIEISA-N 1 0 381.361 2.833 20 0 GFADRO CCCN(CC[NH+]1CCCC1)C(=O)c1cncc(I)c1 ZINC000557573365 564867938 /nfs/dbraw/zinc/86/79/38/564867938.db2.gz SUPZZROXYDHAIH-UHFFFAOYSA-N 1 0 387.265 2.634 20 0 GFADRO Cc1cc(NC(=O)NCC2CC[NH+](CCO)CC2)c(F)cc1Br ZINC000497454273 564868511 /nfs/dbraw/zinc/86/85/11/564868511.db2.gz VCMCPQGYWCHDMF-UHFFFAOYSA-N 1 0 388.281 2.722 20 0 GFADRO COCC[N@@H+]1CC[C@H](NC(=O)Nc2cccc(Cl)c2OCC(F)F)C1 ZINC000497534388 564870417 /nfs/dbraw/zinc/87/04/17/564870417.db2.gz MFFNZRJNQGSATP-NSHDSACASA-N 1 0 377.819 2.826 20 0 GFADRO C[C@@H]([NH2+]CCN1CCCC1=O)c1ccc(F)c(I)c1 ZINC000583029169 564872797 /nfs/dbraw/zinc/87/27/97/564872797.db2.gz DBYSNERTYGCVBS-SNVBAGLBSA-N 1 0 376.213 2.703 20 0 GFADRO O=C1c2ccccc2C(=O)N1CC[NH2+]Cc1ccc(F)cc1Br ZINC000557752477 564874967 /nfs/dbraw/zinc/87/49/67/564874967.db2.gz XXDSVSQZDCMGLM-UHFFFAOYSA-N 1 0 377.213 2.974 20 0 GFADRO COC(=O)c1cc(C[NH2+]C[C@@H](CO)Cc2ccc(Br)cc2)cn1C ZINC000583091875 564875849 /nfs/dbraw/zinc/87/58/49/564875849.db2.gz WAXZYIDNGNPNGW-HNNXBMFYSA-N 1 0 395.297 2.515 20 0 GFADRO C[C@H]([NH2+]Cc1ccnc(N)c1)c1ccc(Br)cc1OCCCO ZINC000463357782 564876581 /nfs/dbraw/zinc/87/65/81/564876581.db2.gz CGVRWKLFNMWZQH-LBPRGKRZSA-N 1 0 380.286 3.038 20 0 GFADRO C[C@@H]([NH2+][C@H](C)c1ccc(Br)cc1OCCCO)C(=O)NC1CC1 ZINC000463366163 564877099 /nfs/dbraw/zinc/87/70/99/564877099.db2.gz IVTHAFKOAHIMIR-VXGBXAGGSA-N 1 0 385.302 2.528 20 0 GFADRO CCN(C)C(=O)CC[NH2+][C@@H](C)c1ccc(Br)cc1OCCCO ZINC000463363209 564877577 /nfs/dbraw/zinc/87/75/77/564877577.db2.gz YXSPAKHBQCXIDD-ZDUSSCGKSA-N 1 0 387.318 2.729 20 0 GFADRO C[C@@H](CNS(=O)(=O)Cc1cccc(Br)c1)C[NH+]1CCCC1 ZINC000557805141 564877980 /nfs/dbraw/zinc/87/79/80/564877980.db2.gz SJNYDAQXEUZRQC-ZDUSSCGKSA-N 1 0 375.332 2.600 20 0 GFADRO CC[NH+](CC)[C@@H]1CCN(S(=O)(=O)Cc2cccc(Br)c2)C1 ZINC000557824762 564878513 /nfs/dbraw/zinc/87/85/13/564878513.db2.gz LVKPDGLFIUVJPZ-OAHLLOKOSA-N 1 0 375.332 2.695 20 0 GFADRO CC1(C)Cc2c(cccc2Br)[C@@H]1NC(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000557825971 564878883 /nfs/dbraw/zinc/87/88/83/564878883.db2.gz CUKVCHYYWONWQY-SJORKVTESA-N 1 0 392.341 2.579 20 0 GFADRO CC[NH+](CC)[C@H]1CCN(S(=O)(=O)Cc2cccc(Br)c2)C1 ZINC000557824761 564878919 /nfs/dbraw/zinc/87/89/19/564878919.db2.gz LVKPDGLFIUVJPZ-HNNXBMFYSA-N 1 0 375.332 2.695 20 0 GFADRO C[N@H+](CCCN1C(=O)NC(C)(C)C1=O)CCc1cccc(Br)c1 ZINC000463417696 564880310 /nfs/dbraw/zinc/88/03/10/564880310.db2.gz DIIOGQHJIAQENM-UHFFFAOYSA-N 1 0 382.302 2.644 20 0 GFADRO C[C@H]1CN(S(=O)(=O)c2cc(Br)cc3cccnc32)[C@@H](C)CN1C ZINC000557841127 564880776 /nfs/dbraw/zinc/88/07/76/564880776.db2.gz JAAYHIHYSRBYHY-RYUDHWBXSA-N 1 0 398.326 2.710 20 0 GFADRO O=C1[C@@H]([N@@H+]2CC[C@@H](n3cccn3)C2)CCN1c1cccc(Br)c1 ZINC000463435632 564881787 /nfs/dbraw/zinc/88/17/87/564881787.db2.gz USGHEQVDLZMROT-CVEARBPZSA-N 1 0 375.270 2.698 20 0 GFADRO COc1cc(C[NH2+][C@H]2CCOC3(CCOCC3)C2)cc(Br)c1O ZINC000557843974 564881915 /nfs/dbraw/zinc/88/19/15/564881915.db2.gz HHDDYIQVDGSVOD-ZDUSSCGKSA-N 1 0 386.286 2.981 20 0 GFADRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1S(=O)(=O)c1ccc(Br)s1 ZINC000557853666 564882852 /nfs/dbraw/zinc/88/28/52/564882852.db2.gz FASCQYUQXVDJBD-WDEREUQCSA-N 1 0 379.345 2.758 20 0 GFADRO CCO[C@H]1C[C@@]([NH3+])(C(=O)Nc2ccc(CN(C)C)c(Br)c2)C1(C)C ZINC000583261811 564883785 /nfs/dbraw/zinc/88/37/85/564883785.db2.gz ITJOBBQTXCRBGN-MAUKXSAKSA-N 1 0 398.345 2.982 20 0 GFADRO CC[N@@H+]1CCC[C@H](CNC(=O)c2ccc(I)c(F)c2)C1 ZINC000498081212 564888105 /nfs/dbraw/zinc/88/81/05/564888105.db2.gz ORWDEEBSSNKVNS-LLVKDONJSA-N 1 0 390.240 2.892 20 0 GFADRO CC[NH+](CC)CCCCNC(=O)c1ccc(Cl)c(NS(C)(=O)=O)c1 ZINC000530645669 564890475 /nfs/dbraw/zinc/89/04/75/564890475.db2.gz QIQHXHFQAMBRQJ-UHFFFAOYSA-N 1 0 375.922 2.563 20 0 GFADRO C[C@@H](CNC(=O)N[C@@H]1CC[N@@H+](C2CC2)C1)Oc1ccccc1Br ZINC000530659893 564891195 /nfs/dbraw/zinc/89/11/95/564891195.db2.gz PUEXJSLSXHPAOB-QWHCGFSZSA-N 1 0 382.302 2.752 20 0 GFADRO COC(=O)c1cc(C[NH2+][C@@H]2CCN(c3ccccc3Br)C2)c[nH]1 ZINC000530763431 564894105 /nfs/dbraw/zinc/89/41/05/564894105.db2.gz JEZKSHIDQXHNTP-CYBMUJFWSA-N 1 0 378.270 2.932 20 0 GFADRO CCN(C)C(=O)CC[N@H+](CCc1ccc(Cl)cc1)C[C@H](O)C(F)(F)F ZINC000558173500 564894555 /nfs/dbraw/zinc/89/45/55/564894555.db2.gz LJKZVDCPNRBODQ-HNNXBMFYSA-N 1 0 380.838 2.976 20 0 GFADRO Cc1nc(CNC(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)sc1Br ZINC000583554805 564896673 /nfs/dbraw/zinc/89/66/73/564896673.db2.gz YGJYWTZWFCASPO-QWHCGFSZSA-N 1 0 395.326 2.850 20 0 GFADRO COC[C@@H]([NH2+]CCNS(=O)(=O)c1ccc(Cl)cc1C)c1ccccc1 ZINC000558259904 564897223 /nfs/dbraw/zinc/89/72/23/564897223.db2.gz SWCKXBNMLGGUDH-QGZVFWFLSA-N 1 0 382.913 2.904 20 0 GFADRO CN(CC(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C)C(=O)c1cccs1 ZINC000531066797 564901108 /nfs/dbraw/zinc/90/11/08/564901108.db2.gz HXLSKKPHTWGHSM-OAHLLOKOSA-N 1 0 379.913 2.893 20 0 GFADRO CC[N@@H+]1C[C@@H](C)N(C(=O)c2ccc(F)c(I)c2)C[C@@H]1C ZINC000498573065 564902625 /nfs/dbraw/zinc/90/26/25/564902625.db2.gz RZEMSYGRDLZZPP-WDEREUQCSA-N 1 0 390.240 2.985 20 0 GFADRO CN(C)c1ncc(Br)cc1C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000464337552 564903957 /nfs/dbraw/zinc/90/39/57/564903957.db2.gz QBYXJFWSMBVHCD-OAHLLOKOSA-N 1 0 395.345 2.904 20 0 GFADRO COC(=O)c1cc(NC(=O)N2CCC[C@H](C[NH3+])C2)cc(Br)c1F ZINC000583741098 564905522 /nfs/dbraw/zinc/90/55/22/564905522.db2.gz YGVQVEFTBVGYIS-SECBINFHSA-N 1 0 388.237 2.577 20 0 GFADRO CC[N@@H+]1CCN(c2ncnc3cccc(I)c32)[C@@H](C)C1 ZINC000583819050 564908661 /nfs/dbraw/zinc/90/86/61/564908661.db2.gz HTFQRXJASHRULC-NSHDSACASA-N 1 0 382.249 2.765 20 0 GFADRO O=C(NCC[NH2+]C[C@H](O)COc1ccccc1Cl)c1ccccc1Cl ZINC000583866876 564910860 /nfs/dbraw/zinc/91/08/60/564910860.db2.gz KMYNAVRGIOKZSP-ZDUSSCGKSA-N 1 0 383.275 2.753 20 0 GFADRO C[C@H](C1CC[NH+](C)CC1)N(C)S(=O)(=O)c1cc(Br)ccc1F ZINC000498871743 564911268 /nfs/dbraw/zinc/91/12/68/564911268.db2.gz FEQVUACKIWWHKZ-LLVKDONJSA-N 1 0 393.322 2.939 20 0 GFADRO CCO[C@@H](CC[NH+](C)C)CNC(=O)C1=Cc2cc(Br)ccc2OC1 ZINC000531477564 564911369 /nfs/dbraw/zinc/91/13/69/564911369.db2.gz YRQVMSNGPCWNSY-INIZCTEOSA-N 1 0 397.313 2.698 20 0 GFADRO Cc1ccc(CCC(=O)NCCC[N@@H+](C)CCN(C)C)c(Br)c1 ZINC000583896910 564911992 /nfs/dbraw/zinc/91/19/92/564911992.db2.gz ULEDEGIUWKEWCD-UHFFFAOYSA-N 1 0 384.362 2.690 20 0 GFADRO CO[C@H]1CCN(C(=O)COc2cc(Cl)c(Cl)cc2Cl)[C@@H](C[NH3+])C1 ZINC000583989016 564915125 /nfs/dbraw/zinc/91/51/25/564915125.db2.gz TZRTXKNUFIBXNW-ZJUUUORDSA-N 1 0 381.687 2.990 20 0 GFADRO COc1nnc(NC(=O)N2CCN([C@H](C)c3ccc(Cl)cc3)CC2)s1 ZINC000558813050 564916034 /nfs/dbraw/zinc/91/60/34/564916034.db2.gz YZNGRRZAAFHMEU-LLVKDONJSA-N 1 0 381.889 3.111 20 0 GFADRO COc1nnc(NC(=O)NC[C@@H](c2cccc(Cl)c2)N2CCCC2)s1 ZINC000558811642 564916063 /nfs/dbraw/zinc/91/60/63/564916063.db2.gz GSGPOEQNCVNULM-ZDUSSCGKSA-N 1 0 381.889 3.159 20 0 GFADRO CCc1nc(CNc2cc(N3CCOCC3)c(Br)c[nH+]2)cs1 ZINC000584034090 564917055 /nfs/dbraw/zinc/91/70/55/564917055.db2.gz YXKKFMAZAOHSAL-UHFFFAOYSA-N 1 0 383.315 3.312 20 0 GFADRO [NH3+]C[C@H]1CN(CC(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)CCCO1 ZINC000584043800 564917987 /nfs/dbraw/zinc/91/79/87/564917987.db2.gz QRWTZWMPQXGYSP-WMLDXEAASA-N 1 0 386.323 2.707 20 0 GFADRO C[C@H](C(=O)NC1(CCO)CC[NH+](C)CC1)c1ccc(Br)s1 ZINC000499115031 564918753 /nfs/dbraw/zinc/91/87/53/564918753.db2.gz GYQXLKOEKWPRDJ-NSHDSACASA-N 1 0 375.332 2.577 20 0 GFADRO C[C@H](C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1)[NH+]1C[C@@H](C)[C@H](C)C1 ZINC000464853522 564919544 /nfs/dbraw/zinc/91/95/44/564919544.db2.gz SDHGOIVZPQXPBJ-JHJVBQTASA-N 1 0 387.933 2.505 20 0 GFADRO [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)N[C@@H]1COc2cc(F)c(Br)cc21 ZINC000584102812 564920591 /nfs/dbraw/zinc/92/05/91/564920591.db2.gz QSMIYLJDVRIOII-WGGYUVOSSA-N 1 0 398.276 2.837 20 0 GFADRO Cc1cc(I)cc(C(=O)NCC[N@H+]2CC[C@H](C)C2)c1C ZINC000531959534 564924734 /nfs/dbraw/zinc/92/47/34/564924734.db2.gz STAPMRHGEROIRG-NSHDSACASA-N 1 0 386.277 2.980 20 0 GFADRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N[C@H](C)c2ncc(Br)cn2)C1 ZINC000584209617 564925026 /nfs/dbraw/zinc/92/50/26/564925026.db2.gz GYVAMAUFCZVOQJ-OLZOCXBDSA-N 1 0 384.322 2.720 20 0 GFADRO CC(C)[N@@H+]1CC[C@H](CNC(=O)c2c(F)cccc2I)C1 ZINC000532111250 564929514 /nfs/dbraw/zinc/92/95/14/564929514.db2.gz ZELHEUYNGRFCRP-LLVKDONJSA-N 1 0 390.240 2.890 20 0 GFADRO CC(=O)N[C@@H](CC(=O)NCCC[NH2+]C(C)C)c1ccc(Br)cc1 ZINC000584291891 564929785 /nfs/dbraw/zinc/92/97/85/564929785.db2.gz LZSCAFNRLIEBTM-INIZCTEOSA-N 1 0 384.318 2.521 20 0 GFADRO CC(C)CN(CC[NH+](C)C)C(=O)Cc1cccc(I)c1 ZINC000532109257 564929949 /nfs/dbraw/zinc/92/99/49/564929949.db2.gz PIZPJVOLZXXYKU-UHFFFAOYSA-N 1 0 388.293 2.880 20 0 GFADRO CN(Cc1cc(Br)cs1)C(=O)C[NH+]1CCC(CCO)CC1 ZINC000532160689 564930830 /nfs/dbraw/zinc/93/08/30/564930830.db2.gz SGAREHIPUITPAI-UHFFFAOYSA-N 1 0 375.332 2.563 20 0 GFADRO CN(C(=O)NCc1n[nH]cc1Br)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000532143088 564930850 /nfs/dbraw/zinc/93/08/50/564930850.db2.gz XPXMLNUJUORPLZ-AWEZNQCLSA-N 1 0 392.301 2.588 20 0 GFADRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cc3c(c(Br)c2)OCO3)[C@@H]1n1cccn1 ZINC000559361663 564931073 /nfs/dbraw/zinc/93/10/73/564931073.db2.gz RFJSBKBRZJRTBF-FMKPAKJESA-N 1 0 394.269 2.883 20 0 GFADRO Ic1ccc2c(c1)[C@H]([NH2+]C[C@H]1COCCO1)CCCO2 ZINC000532193868 564931552 /nfs/dbraw/zinc/93/15/52/564931552.db2.gz KNPJFGMSXNXEEA-GXTWGEPZSA-N 1 0 389.233 2.510 20 0 GFADRO CS[C@@H](C)CNC(=O)C(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000559382161 564932269 /nfs/dbraw/zinc/93/22/69/564932269.db2.gz OXAFSCYRCHHKLZ-LSDHHAIUSA-N 1 0 383.583 2.505 20 0 GFADRO O=C(NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1)N[C@@H]1CCSC1 ZINC000465895149 564933831 /nfs/dbraw/zinc/93/38/31/564933831.db2.gz ACEBGZGUWTXLET-MRXNPFEDSA-N 1 0 382.961 2.657 20 0 GFADRO C[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1)[C@H]1CCOC1 ZINC000466107235 564935006 /nfs/dbraw/zinc/93/50/06/564935006.db2.gz CAPZNTRKLADNOP-ZBFHGGJFSA-N 1 0 398.345 2.947 20 0 GFADRO O=C(Nc1ncn(Cc2cccc(Br)c2)n1)c1ccc2c[nH+]cn2c1 ZINC000559542851 564935315 /nfs/dbraw/zinc/93/53/15/564935315.db2.gz RFJJPDZRMHZDCX-UHFFFAOYSA-N 1 0 397.236 2.989 20 0 GFADRO Cc1cc(C[NH2+]Cc2cccc(C(N)=O)c2)ccc1I ZINC000466364438 564938639 /nfs/dbraw/zinc/93/86/39/564938639.db2.gz LEVHBMOQABMJLW-UHFFFAOYSA-N 1 0 380.229 2.988 20 0 GFADRO C[C@@H](Oc1ccc(Br)cc1)C(=O)N(CC[NH+](C)C)C[C@H]1CCCO1 ZINC000499919214 564940363 /nfs/dbraw/zinc/94/03/63/564940363.db2.gz IXCATFOPEHWVGK-RHSMWYFYSA-N 1 0 399.329 2.786 20 0 GFADRO C[C@]1(n2cc(C[NH2+]Cc3csc4ccccc34)cn2)CCS(=O)(=O)C1 ZINC000532681158 564942558 /nfs/dbraw/zinc/94/25/58/564942558.db2.gz BTQDMVQTUYXOQZ-SFHVURJKSA-N 1 0 375.519 2.921 20 0 GFADRO C[C@@H](CNC(=O)C(=O)Nc1ccc(-c2ccc(Cl)s2)nc1)C[NH+](C)C ZINC000559972610 564942848 /nfs/dbraw/zinc/94/28/48/564942848.db2.gz MXQPKUBQVNGAQI-NSHDSACASA-N 1 0 380.901 2.716 20 0 GFADRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N1CCc2cccc(Br)c2C1 ZINC000466755813 564946918 /nfs/dbraw/zinc/94/69/18/564946918.db2.gz QDTAWNKWFGHFCA-PXAZEXFGSA-N 1 0 378.314 3.000 20 0 GFADRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N1CCN(Cc2ccc(Cl)s2)CC1 ZINC000466763186 564947078 /nfs/dbraw/zinc/94/70/78/564947078.db2.gz JMNKZZWOVUMRQD-BBRMVZONSA-N 1 0 382.961 2.711 20 0 GFADRO NC(=O)[C@@H](c1ccc(Br)cc1)N1CCC([NH+]2CCCCC2)CC1 ZINC000532919634 564949881 /nfs/dbraw/zinc/94/98/81/564949881.db2.gz VZZYIXLYOPEYLG-QGZVFWFLSA-N 1 0 380.330 2.926 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)C[N@H+](C)CC1CCC1 ZINC000532980338 564950541 /nfs/dbraw/zinc/95/05/41/564950541.db2.gz KNFYWXYDJBNNOE-UHFFFAOYSA-N 1 0 396.329 2.886 20 0 GFADRO CCS(=O)(=O)N1CC(C[NH2+]C/C(C)=C/c2ccccc2C(F)(F)F)C1 ZINC000500399614 564952133 /nfs/dbraw/zinc/95/21/33/564952133.db2.gz FWOMTQPPJHGBHC-MDWZMJQESA-N 1 0 376.444 2.980 20 0 GFADRO C[C@H]1C[C@H](N(C)C(=O)c2cccc(F)c2I)CC[N@@H+]1C ZINC000533069617 564952450 /nfs/dbraw/zinc/95/24/50/564952450.db2.gz MQSFIPIBBSZOQS-WDEREUQCSA-N 1 0 390.240 2.985 20 0 GFADRO C/C(=C\c1ccccc1C(F)(F)F)C[NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000500426747 564952873 /nfs/dbraw/zinc/95/28/73/564952873.db2.gz ZBGGOTSVGLDUJJ-SSUFTNFISA-N 1 0 376.444 2.980 20 0 GFADRO Cc1cccc(C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@H]2C)c1I ZINC000467022623 564953117 /nfs/dbraw/zinc/95/31/17/564953117.db2.gz JFESPYDWWAWLNO-BXUZGUMPSA-N 1 0 384.261 2.812 20 0 GFADRO Cc1ccc(C(=O)N[C@H]2C[N@H+](C3CC3)C[C@H]2C)cc1I ZINC000467024377 564953153 /nfs/dbraw/zinc/95/31/53/564953153.db2.gz SSKBGYHDKRCIBF-ABAIWWIYSA-N 1 0 384.261 2.812 20 0 GFADRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1csc(I)c1 ZINC000467031539 564953630 /nfs/dbraw/zinc/95/36/30/564953630.db2.gz FDRJWGOEIMPTFM-LDYMZIIASA-N 1 0 376.263 2.565 20 0 GFADRO CCC(=O)N[C@H]1CCC[N@H+](C[C@@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000500454076 564954503 /nfs/dbraw/zinc/95/45/03/564954503.db2.gz DDNINLLJKPXGFE-UONOGXRCSA-N 1 0 375.296 2.724 20 0 GFADRO CS(=O)(=O)NC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(Cl)c(Br)c1 ZINC000500472689 564954904 /nfs/dbraw/zinc/95/49/04/564954904.db2.gz AQMJLXTVGSXFGE-FZMZJTMJSA-N 1 0 395.750 2.910 20 0 GFADRO CC(C)OCC[NH+]1CCN(Cc2cccc(I)c2)CC1 ZINC000560259239 564955107 /nfs/dbraw/zinc/95/51/07/564955107.db2.gz UBKOKUHNNVOWDP-UHFFFAOYSA-N 1 0 388.293 2.834 20 0 GFADRO CC[C@@H]1C[C@@H](C)C[N@@H+]1CC(=O)NCC(=O)Nc1ccccc1Br ZINC000467212412 564958221 /nfs/dbraw/zinc/95/82/21/564958221.db2.gz WWXFVKFOUFAUHB-CHWSQXEVSA-N 1 0 382.302 2.624 20 0 GFADRO CO[C@@H]1C[N@H+](C[C@H](O)COc2cc(F)cc(Br)c2)CC[C@@H]1C ZINC000467288035 564960064 /nfs/dbraw/zinc/96/00/64/564960064.db2.gz LOCIKVSYMKLSBO-HZUKXOBISA-N 1 0 376.266 2.685 20 0 GFADRO O=C1CCC(=O)N1CC[N@@H+](Cc1cccc(Br)c1)C1CCOCC1 ZINC000467299342 564960348 /nfs/dbraw/zinc/96/03/48/564960348.db2.gz SQIXREJPDLVCME-UHFFFAOYSA-N 1 0 395.297 2.579 20 0 GFADRO C[NH+](C)[C@H]1CCN(c2ccc(NC(=O)c3cc(Br)c[nH]3)nc2)C1 ZINC000533313034 564960695 /nfs/dbraw/zinc/96/06/95/564960695.db2.gz CBJDYSFBAWMLCV-ZDUSSCGKSA-N 1 0 378.274 2.565 20 0 GFADRO CCS(=O)(=O)C[C@H](C)[NH2+]Cc1ccc(I)c(C)c1 ZINC000467376156 564961781 /nfs/dbraw/zinc/96/17/81/564961781.db2.gz IEJFVPIHMMXSGO-NSHDSACASA-N 1 0 381.279 2.512 20 0 GFADRO CC(C)[N@H+](C)CC1CCN(CC(=O)Nc2ccc(Br)cn2)CC1 ZINC000533409746 564962014 /nfs/dbraw/zinc/96/20/14/564962014.db2.gz PYJSKAVRCVWRDK-UHFFFAOYSA-N 1 0 383.334 2.835 20 0 GFADRO C[C@@H]([NH2+]CCCNS(=O)(=O)c1ccccc1Cl)c1cccc(CO)c1 ZINC000467410993 564962271 /nfs/dbraw/zinc/96/22/71/564962271.db2.gz AKUCDMWBEWLZLV-CQSZACIVSA-N 1 0 382.913 2.852 20 0 GFADRO O=S(=O)(NCCC[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2)c1ccccc1Cl ZINC000467413610 564962753 /nfs/dbraw/zinc/96/27/53/564962753.db2.gz YFKNJXCPVWNUPJ-XYPHTWIQSA-N 1 0 384.929 2.556 20 0 GFADRO CCO[C@H]1C[C@H]([NH2+]CCCNS(=O)(=O)c2ccccc2Cl)C12CCC2 ZINC000467414066 564962796 /nfs/dbraw/zinc/96/27/96/564962796.db2.gz QMPXDVOGUNYQDU-IRXDYDNUSA-N 1 0 386.945 2.946 20 0 GFADRO CC[C@H]([NH2+][C@@H]1CCN(CCC(=O)OC)C1=O)c1ccc(Br)cc1 ZINC000500834280 564963731 /nfs/dbraw/zinc/96/37/31/564963731.db2.gz ARMXJZYZAQFWJU-LSDHHAIUSA-N 1 0 383.286 2.654 20 0 GFADRO CC(C)CO[C@H]1CC[N@H+](Cc2cc(=O)n3cc(Br)ccc3n2)C1 ZINC000533478835 564963959 /nfs/dbraw/zinc/96/39/59/564963959.db2.gz PTFAJMORQQFYTG-HNNXBMFYSA-N 1 0 380.286 2.704 20 0 GFADRO O[C@@H](C[NH2+]C[C@H]1CC=CCC1)COc1ccc(I)cc1 ZINC000533565078 564966986 /nfs/dbraw/zinc/96/69/86/564966986.db2.gz RENKZCYBCHEFAT-ZFWWWQNUSA-N 1 0 387.261 2.977 20 0 GFADRO C[N@H+](CCOc1ccc(S(N)(=O)=O)cc1)Cc1ccc(C(F)(F)F)s1 ZINC000560555165 564967384 /nfs/dbraw/zinc/96/73/84/564967384.db2.gz QCXUUMPRDDBZGB-UHFFFAOYSA-N 1 0 394.440 2.925 20 0 GFADRO C[C@H]([NH2+]C[C@@H]1CCCCN1S(C)(=O)=O)c1cc(Br)cs1 ZINC000560580815 564969063 /nfs/dbraw/zinc/96/90/63/564969063.db2.gz NYHONXGOHCAAPC-JQWIXIFHSA-N 1 0 381.361 2.975 20 0 GFADRO O=C(Nc1cc(Br)ccc1NC1CC1)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O ZINC000467700632 564970468 /nfs/dbraw/zinc/97/04/68/564970468.db2.gz MOSYCYZQPLVDMR-YOGCLGLASA-N 1 0 392.297 2.777 20 0 GFADRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)Cc1ccccc1I ZINC000560760339 564974892 /nfs/dbraw/zinc/97/48/92/564974892.db2.gz MYERNPIMWHAAOH-ZFWWWQNUSA-N 1 0 398.288 2.919 20 0 GFADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@@H]1CCO[C@@H](c2ccccn2)C1 ZINC000560896768 564979092 /nfs/dbraw/zinc/97/90/92/564979092.db2.gz GIHHJAGRFNGQCW-FRFSOERESA-N 1 0 392.297 2.904 20 0 GFADRO COc1ccc(-c2ncc(C(=O)N3C[C@@H](SC)[C@H]([NH+](C)C)C3)s2)cc1 ZINC000534093279 564979666 /nfs/dbraw/zinc/97/96/66/564979666.db2.gz HGMRLNAXKLSWMY-GDBMZVCRSA-N 1 0 377.535 2.936 20 0 GFADRO O=C(NCC[C@H]1CCC[NH2+]C1)Nc1nnc(-c2ccc(Cl)cc2F)s1 ZINC000561019636 564981915 /nfs/dbraw/zinc/98/19/15/564981915.db2.gz CFLJQECWOVRGNP-SNVBAGLBSA-N 1 0 383.880 3.509 20 0 GFADRO O=S1(=O)CC[C@@H](C[NH2+]C2(Cc3ccc(F)cc3Cl)CCOCC2)C1 ZINC000561065145 564982689 /nfs/dbraw/zinc/98/26/89/564982689.db2.gz LWRPDAMVYQBHRC-ZDUSSCGKSA-N 1 0 375.893 2.595 20 0 GFADRO CS[C@H]1CN(CC(=O)Nc2ccc(Br)cc2C)C[C@@H]1[NH+](C)C ZINC000534215733 564982772 /nfs/dbraw/zinc/98/27/72/564982772.db2.gz NIOOKXMNZQNOIH-GJZGRUSLSA-N 1 0 386.359 2.673 20 0 GFADRO C[N@@H+]1CCN(C(=O)[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C(C)(C)C1 ZINC000501645127 564984004 /nfs/dbraw/zinc/98/40/04/564984004.db2.gz GWWXIIJJFDTWMC-ZDUSSCGKSA-N 1 0 384.307 2.899 20 0 GFADRO C[N@@H+]1CCN(C[C@@H](O)COc2ccc(Cl)cc2Br)C(C)(C)C1 ZINC000501778008 564985843 /nfs/dbraw/zinc/98/58/43/564985843.db2.gz SDUXGTWYLASUPP-CYBMUJFWSA-N 1 0 391.737 2.868 20 0 GFADRO C[NH+](C)CCOc1ccc(CNS(=O)(=O)c2cc(F)cc(Cl)c2)cc1 ZINC000534422717 564988500 /nfs/dbraw/zinc/98/85/00/564988500.db2.gz ALZLLMCGSFNGHF-UHFFFAOYSA-N 1 0 386.876 2.898 20 0 GFADRO CCN(Cc1cc(Br)ccc1F)C(=O)[C@H](C)C[NH+]1CCOCC1 ZINC000502058573 564990790 /nfs/dbraw/zinc/99/07/90/564990790.db2.gz ZEFKXBDIKGDFFA-CYBMUJFWSA-N 1 0 387.293 2.905 20 0 GFADRO CC[C@@H](C)[N@H+](C)CCNC(=O)COc1cccc(I)c1 ZINC000468763359 564992830 /nfs/dbraw/zinc/99/28/30/564992830.db2.gz APFLRQFTZUGMOL-GFCCVEGCSA-N 1 0 390.265 2.517 20 0 GFADRO C[C@H](NC(=O)C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C)c1cccc(Cl)c1Cl ZINC000502299260 564995508 /nfs/dbraw/zinc/99/55/08/564995508.db2.gz WLUJGUKWXQIJKE-JRPNMDOOSA-N 1 0 384.307 2.770 20 0 GFADRO C[C@@H]1CC[N@H+](CCNS(=O)(=O)c2cc(Br)cc3cccnc32)C1 ZINC000561510756 564998205 /nfs/dbraw/zinc/99/82/05/564998205.db2.gz CLXBGWGKZKPZSI-GFCCVEGCSA-N 1 0 398.326 2.617 20 0 GFADRO C[C@H]1C[C@@H](N(C)S(=O)(=O)Cc2ccccc2Br)CC[N@@H+]1C ZINC000561518729 564998952 /nfs/dbraw/zinc/99/89/52/564998952.db2.gz BGDALRWTKTVFJT-JSGCOSHPSA-N 1 0 375.332 2.693 20 0 GFADRO C[C@H](c1ccccc1Cl)N1CCN(C(=O)C[N@H+](C)[C@H]2CCSC2)CC1 ZINC000535004630 565002262 /nfs/dbraw/zinc/00/22/62/565002262.db2.gz NZXYVNCTYOPMPK-CVEARBPZSA-N 1 0 381.973 2.983 20 0 GFADRO Cc1cc([C@@H](C)[NH2+]CCCNC(=O)c2ccc(Br)cc2)nn1C ZINC000502699835 565003713 /nfs/dbraw/zinc/00/37/13/565003713.db2.gz MIWOISZGCNHQIL-CYBMUJFWSA-N 1 0 379.302 2.962 20 0 GFADRO C[C@@H](CN1CCOCC1)N(C)C(=O)c1cc(Br)ccc1Cl ZINC000469134056 565006749 /nfs/dbraw/zinc/00/67/49/565006749.db2.gz SUUBPLSLBIPLCV-NSHDSACASA-N 1 0 375.694 2.895 20 0 GFADRO C[C@H](Cc1ccc(F)cc1Br)[NH2+]C[C@H]1CCCN1S(C)(=O)=O ZINC000561745970 565008018 /nfs/dbraw/zinc/00/80/18/565008018.db2.gz NCPPWFKNBBZHEC-BXUZGUMPSA-N 1 0 393.322 2.533 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cncc(I)c2)C[C@@H]1C ZINC000535291473 565010025 /nfs/dbraw/zinc/01/00/25/565010025.db2.gz AZTJXYIWUJZFMK-SMDDNHRTSA-N 1 0 387.265 2.631 20 0 GFADRO Nc1nsc(N2CC[NH+](CC/C=C\c3ccc(Br)cc3)CC2)n1 ZINC000469245865 565010588 /nfs/dbraw/zinc/01/05/88/565010588.db2.gz NTFKQWIOQUFTGZ-IWQZZHSRSA-N 1 0 394.342 3.108 20 0 GFADRO C[C@H](CNC(=O)c1cc[nH]c(=O)c1Br)[N@@H+]1CCc2ccccc2C1 ZINC000469298306 565013237 /nfs/dbraw/zinc/01/32/37/565013237.db2.gz SQGREZVDEBZNSH-GFCCVEGCSA-N 1 0 390.281 2.726 20 0 GFADRO CS[C@@H]1CN(S(=O)(=O)c2c(Cl)ccc(C)c2Cl)C[C@@H]1[NH+](C)C ZINC000503209408 565013695 /nfs/dbraw/zinc/01/36/95/565013695.db2.gz UFAVGRXDVKVFGQ-NWDGAFQWSA-N 1 0 383.366 2.968 20 0 GFADRO CCOc1c(Cl)cc(NC(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)cc1Cl ZINC000469337235 565013951 /nfs/dbraw/zinc/01/39/51/565013951.db2.gz UARIVQRTMUPGFM-LLVKDONJSA-N 1 0 388.295 2.741 20 0 GFADRO COC(=O)[C@]1(C)C[N@H+](C[C@@H](O)COc2ccc(Cl)cc2Cl)C[C@H]1C ZINC000503267288 565016551 /nfs/dbraw/zinc/01/65/51/565016551.db2.gz HXQPTBIRFDLUGP-CJBNDPTMSA-N 1 0 376.280 2.864 20 0 GFADRO C[NH+](C)C1CCN(C(=O)C2(c3ccc(I)cc3)CC2)CC1 ZINC000503307203 565016905 /nfs/dbraw/zinc/01/69/05/565016905.db2.gz ALLWZUUABKTGQM-UHFFFAOYSA-N 1 0 398.288 2.875 20 0 GFADRO CNC(=O)c1cc(NC(=O)NCC2(SC)CC[NH+](C)CC2)ccc1Cl ZINC000562076941 565016931 /nfs/dbraw/zinc/01/69/31/565016931.db2.gz FLRWEYWVGPRELW-UHFFFAOYSA-N 1 0 384.933 2.649 20 0 GFADRO CS[C@@H]1CN(S(=O)(=O)Cc2c(Cl)cccc2Cl)C[C@@H]1[NH+](C)C ZINC000535620399 565017452 /nfs/dbraw/zinc/01/74/52/565017452.db2.gz IECISBKEBFYYFO-UONOGXRCSA-N 1 0 383.366 2.801 20 0 GFADRO C[C@H](CNC(=O)C1(c2ccc(I)cc2)CC1)[N@H+](C)C1CC1 ZINC000503322900 565017730 /nfs/dbraw/zinc/01/77/30/565017730.db2.gz JXFLYTMZLJOXFO-GFCCVEGCSA-N 1 0 398.288 2.922 20 0 GFADRO CCO[C@@H]1C[C@H]([NH2+]Cc2cc3c(cc2Br)OCO3)[C@@]12CCCO2 ZINC000562078917 565017792 /nfs/dbraw/zinc/01/77/92/565017792.db2.gz DCKNQBKMLDJYES-BBWFWOEESA-N 1 0 384.270 2.994 20 0 GFADRO CC[N@@H+]1CCC[C@H](NC(=O)C2(c3ccc(I)cc3)CC2)C1 ZINC000503316248 565017808 /nfs/dbraw/zinc/01/78/08/565017808.db2.gz WHWSQYRIGRSWDI-HNNXBMFYSA-N 1 0 398.288 2.923 20 0 GFADRO C[C@H]1C[C@@]1([NH2+]CCOc1ccc(S(N)(=O)=O)cc1)c1ccc(Cl)cc1 ZINC000503407802 565018484 /nfs/dbraw/zinc/01/84/84/565018484.db2.gz QPQQFJFWSQQDPK-UGSOOPFHSA-N 1 0 380.897 2.891 20 0 GFADRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1ccc(Br)c2c1OCCC2 ZINC000469615942 565022638 /nfs/dbraw/zinc/02/26/38/565022638.db2.gz UFUHQAIZVCJGJA-ZBEGNZNMSA-N 1 0 379.298 2.987 20 0 GFADRO CCS[C@@H]1CCC[C@H]1[NH2+]CC(=O)NCC(=O)Nc1cccc(Cl)c1C ZINC000503523577 565022745 /nfs/dbraw/zinc/02/27/45/565022745.db2.gz QVEAYHVQYLMNOQ-HZPDHXFCSA-N 1 0 383.945 2.967 20 0 GFADRO C[C@H]1CN(C(=O)c2cccc(Br)c2F)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000469728741 565025580 /nfs/dbraw/zinc/02/55/80/565025580.db2.gz MQBSDVVRTJIHOG-XJKSGUPXSA-N 1 0 398.320 2.686 20 0 GFADRO CCC[C@@H]([NH2+]C(C)C)C(=O)N1CCNC(=O)[C@@H]1c1ccccc1Br ZINC000503664653 565025758 /nfs/dbraw/zinc/02/57/58/565025758.db2.gz WDVXBKFVZSXWSF-CVEARBPZSA-N 1 0 396.329 2.615 20 0 GFADRO CC[NH+](CC)CCOCCNC(=O)c1cc(Br)c(F)cc1F ZINC000469783356 565026933 /nfs/dbraw/zinc/02/69/33/565026933.db2.gz MHCUZVNLFAIPLT-UHFFFAOYSA-N 1 0 379.245 2.816 20 0 GFADRO O=S(=O)(c1cc(F)ccc1Cl)N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000469803360 565028093 /nfs/dbraw/zinc/02/80/93/565028093.db2.gz ZJYOGQSSKYOJKT-OAHLLOKOSA-N 1 0 390.908 2.745 20 0 GFADRO COC(=O)C[C@H](NC(=O)C[N@H+](C)[C@@H]1CCSC1)c1ccc(SC)cc1 ZINC000536075700 565028506 /nfs/dbraw/zinc/02/85/06/565028506.db2.gz XLCPVJNXQXZARC-ZBFHGGJFSA-N 1 0 382.551 2.566 20 0 GFADRO CO[C@H]1CCN(Cc2ccc(OC(F)F)c(Br)c2)[C@H](C[NH3+])C1 ZINC000469882705 565031217 /nfs/dbraw/zinc/03/12/17/565031217.db2.gz VTNPWHADDWGXKU-RYUDHWBXSA-N 1 0 379.245 2.989 20 0 GFADRO Ic1ccc(N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)nc1 ZINC000562529851 565032059 /nfs/dbraw/zinc/03/20/59/565032059.db2.gz WONVFCUJBYWRDJ-KBPBESRZSA-N 1 0 387.265 2.742 20 0 GFADRO CC(C)(C)[N@H+](CCCOc1cccc(I)c1)CC(N)=O ZINC000469954980 565033259 /nfs/dbraw/zinc/03/32/59/565033259.db2.gz YGZRWGOUPRAUCT-UHFFFAOYSA-N 1 0 390.265 2.646 20 0 GFADRO CS[C@H]1CN(C(=O)c2cnn(-c3cccc(Cl)c3)c2C)C[C@@H]1[NH+](C)C ZINC000536336104 565034879 /nfs/dbraw/zinc/03/48/79/565034879.db2.gz YNFFNHHYFMNYCT-IRXDYDNUSA-N 1 0 378.929 2.952 20 0 GFADRO CS[C@@H]1CN(C(=O)CS[C@@H](C)c2nc3ccccc3[nH]2)C[C@@H]1[NH+](C)C ZINC000536335558 565034932 /nfs/dbraw/zinc/03/49/32/565034932.db2.gz HBSLZGZJSXAMTI-VBNZEHGJSA-N 1 0 378.567 2.861 20 0 GFADRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N[C@@H](CO)c1ccc(Br)cc1 ZINC000504111815 565035623 /nfs/dbraw/zinc/03/56/23/565035623.db2.gz RACSSIJZFAQJSG-KEYYUXOJSA-N 1 0 398.345 2.902 20 0 GFADRO C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)[C@H](C)C1 ZINC000504104686 565035885 /nfs/dbraw/zinc/03/58/85/565035885.db2.gz SFUHFROWFQAEHM-CXUUEIJPSA-N 1 0 386.323 2.946 20 0 GFADRO COCC[N@H+](C)CCNC(=O)N1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000470057187 565036482 /nfs/dbraw/zinc/03/64/82/565036482.db2.gz SERNWUVAWKKFLH-AWEZNQCLSA-N 1 0 390.311 2.734 20 0 GFADRO Cc1cc(Br)cc(Cl)c1C(=O)N1CCC[N@@H+]([C@@H](C)CO)CC1 ZINC000470043623 565036564 /nfs/dbraw/zinc/03/65/64/565036564.db2.gz HZKDDRLHYCYHPI-LBPRGKRZSA-N 1 0 389.721 2.940 20 0 GFADRO O=C(CC[N@@H+]1C[C@H](O)C[C@H]1[C@@H]1CCCOC1)Nc1ccccc1Br ZINC000562707138 565038935 /nfs/dbraw/zinc/03/89/35/565038935.db2.gz IKHWIIXWQHCRBL-CPUCHLNUSA-N 1 0 397.313 2.640 20 0 GFADRO COc1ccc2c(c1)OC[C@H]([NH2+][C@H](C(N)=O)c1ccc(Br)cc1)C2 ZINC000504377554 565038904 /nfs/dbraw/zinc/03/89/04/565038904.db2.gz YKLZLZYELJCRHD-PBHICJAKSA-N 1 0 391.265 2.577 20 0 GFADRO COc1ccc(CNC(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1Br ZINC000562796846 565042956 /nfs/dbraw/zinc/04/29/56/565042956.db2.gz KNOAYADYYTTYLH-CABCVRRESA-N 1 0 396.329 2.989 20 0 GFADRO CC[NH+](CC)CCN(CCOC)S(=O)(=O)c1c(Cl)ccc(F)c1F ZINC000562871264 565046252 /nfs/dbraw/zinc/04/62/52/565046252.db2.gz HTTRLRQALHLIBE-UHFFFAOYSA-N 1 0 384.876 2.597 20 0 GFADRO Cc1ccc(S(=O)(=O)NCC[NH2+][C@H]2CSCCc3ccccc32)cc1 ZINC000536827818 565047726 /nfs/dbraw/zinc/04/77/26/565047726.db2.gz QZVINOZMUZOPAY-IBGZPJMESA-N 1 0 376.547 2.894 20 0 GFADRO COc1ccc(CC[NH2+][C@@H](C)c2cc3c(s2)CCC3)cc1S(N)(=O)=O ZINC000536851621 565048101 /nfs/dbraw/zinc/04/81/01/565048101.db2.gz KMPJVLYXEVYFSM-LBPRGKRZSA-N 1 0 380.535 2.786 20 0 GFADRO COCCN1CCC([NH2+]CCOc2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000536875544 565048121 /nfs/dbraw/zinc/04/81/21/565048121.db2.gz GYELCKLKRBMNJA-UHFFFAOYSA-N 1 0 381.826 2.833 20 0 GFADRO C[NH+](C)C1CCC(NC(=O)c2ccc(Br)cc2-n2cncn2)CC1 ZINC000562945795 565049258 /nfs/dbraw/zinc/04/92/58/565049258.db2.gz COCIZLLUYKBWEV-UHFFFAOYSA-N 1 0 392.301 2.632 20 0 GFADRO C[C@@H]1C[C@H](C)N(C(=O)c2c(F)cccc2I)C[C@H]1C[NH3+] ZINC000562980785 565050782 /nfs/dbraw/zinc/05/07/82/565050782.db2.gz LMHNGDVPOMFJGA-OUAUKWLOSA-N 1 0 390.240 2.876 20 0 GFADRO C[C@@H]1CC[C@@H](C[NH2+]C[C@H](O)COc2ccc(Cl)cc2Br)O1 ZINC000562998279 565051543 /nfs/dbraw/zinc/05/15/43/565051543.db2.gz DXQGLJRDUXHKHL-WXHSDQCUSA-N 1 0 378.694 2.999 20 0 GFADRO CC[C@@H]([NH2+]CCCN1CCC[C@H]1C(N)=O)c1cc(F)cc(Br)c1 ZINC000537288509 565056136 /nfs/dbraw/zinc/05/61/36/565056136.db2.gz FGRIFJBSYOGQEW-CVEARBPZSA-N 1 0 386.309 2.969 20 0 GFADRO CC[C@@H]([NH2+]CCCN1CCC[C@@H]1C(N)=O)c1cc(F)cc(Br)c1 ZINC000537288511 565056200 /nfs/dbraw/zinc/05/62/00/565056200.db2.gz FGRIFJBSYOGQEW-HZPDHXFCSA-N 1 0 386.309 2.969 20 0 GFADRO O=S(=O)(c1ccc(F)cc1C(F)(F)F)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000563129192 565056386 /nfs/dbraw/zinc/05/63/86/565056386.db2.gz DOBGHCOIZXRZEN-RYUDHWBXSA-N 1 0 380.407 2.855 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2Br)C1 ZINC000563119497 565056514 /nfs/dbraw/zinc/05/65/14/565056514.db2.gz BFHNYUNQKNOURZ-WDEREUQCSA-N 1 0 395.750 2.992 20 0 GFADRO CS[C@@H]1CN(C[C@@H](O)COc2ccc(Cl)cc2Cl)C[C@H]1[NH+](C)C ZINC000537291108 565056655 /nfs/dbraw/zinc/05/66/55/565056655.db2.gz TVPZGLIJNJCRHV-XNRPHZJLSA-N 1 0 379.353 2.711 20 0 GFADRO O[C@H](C[NH2+]C[C@H]1CCC[C@@H]1O)COc1ccc(Cl)cc1Br ZINC000563138501 565056931 /nfs/dbraw/zinc/05/69/31/565056931.db2.gz OWOOMZAWMTWRJL-QKCSRTOESA-N 1 0 378.694 2.593 20 0 GFADRO COc1cc(Cl)c(-c2csc([C@]3(NC(C)=O)CC[NH2+]C3)n2)cc1OC ZINC000563142215 565057466 /nfs/dbraw/zinc/05/74/66/565057466.db2.gz MUPSMNPJHWFPJF-KRWDZBQOSA-N 1 0 381.885 2.805 20 0 GFADRO COC(=O)[C@H](NC(=O)C[C@@H]1CCCC[C@@H]1[NH3+])c1ccc(Br)cc1 ZINC000563152375 565057474 /nfs/dbraw/zinc/05/74/74/565057474.db2.gz QGBDUTMKWXUTSE-DUVNUKRYSA-N 1 0 383.286 2.687 20 0 GFADRO O=C(CC[NH+]1CCN(c2ccccc2)CC1)NCCSCC(F)(F)F ZINC000537707043 565061703 /nfs/dbraw/zinc/06/17/03/565061703.db2.gz VYVMYPDNQGCBEV-UHFFFAOYSA-N 1 0 375.460 2.610 20 0 GFADRO C[C@H]1[NH2+]CC[C@@H]1C(=O)NC1CCN(Cc2ccc(Br)cc2)CC1 ZINC000584349437 565076916 /nfs/dbraw/zinc/07/69/16/565076916.db2.gz VBZITOXPZLVCOO-DYVFJYSZSA-N 1 0 380.330 2.528 20 0 GFADRO Cn1ncc(Cl)c1S(=O)(=O)N[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000684661331 565078132 /nfs/dbraw/zinc/07/81/32/565078132.db2.gz WZJKNHBQHOUFIO-MRXNPFEDSA-N 1 0 382.917 2.579 20 0 GFADRO O=S(=O)(N[C@H]1CC[N@@H+](C2CCCCC2)C1)c1c[nH]c2nccc(Cl)c12 ZINC000657161382 565081507 /nfs/dbraw/zinc/08/15/07/565081507.db2.gz OXYPCDXLAKOIRK-LBPRGKRZSA-N 1 0 382.917 2.902 20 0 GFADRO O=C(N[C@H]1C[C@@H]([NH+]2CCCC2)C1)c1ccc(-n2cc(Br)cn2)cc1 ZINC000636093302 565090210 /nfs/dbraw/zinc/09/02/10/565090210.db2.gz CEQJAWJMMKRZEL-WOVMCDHWSA-N 1 0 389.297 2.991 20 0 GFADRO Cc1cc(C(=O)N2CCC3(C[NH+](C)C3)C2)nn1-c1ccc(Br)cc1 ZINC000614038315 565091581 /nfs/dbraw/zinc/09/15/81/565091581.db2.gz OKLIAICGSJAXNK-UHFFFAOYSA-N 1 0 389.297 2.721 20 0 GFADRO O=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)c1cc(Br)cc2c1OCCO2 ZINC000614028921 565092020 /nfs/dbraw/zinc/09/20/20/565092020.db2.gz QURFTWHATSBKLI-AWEZNQCLSA-N 1 0 395.297 2.967 20 0 GFADRO O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(-n2cc(Br)cn2)cc1 ZINC000614128587 565096738 /nfs/dbraw/zinc/09/67/38/565096738.db2.gz JDGSNMFXHMZQJF-RDJZCZTQSA-N 1 0 389.297 2.991 20 0 GFADRO C[N@@H+]1CCN(CCNC(=O)[C@H]2CCc3cc(Br)ccc32)CC1(C)C ZINC000584781452 565097089 /nfs/dbraw/zinc/09/70/89/565097089.db2.gz NKZDHSSIFGISIZ-KRWDZBQOSA-N 1 0 394.357 2.621 20 0 GFADRO C[NH+](C)Cc1ccc(C(N)=O)cc1NCc1c(F)cncc1Br ZINC000657410263 565099603 /nfs/dbraw/zinc/09/96/03/565099603.db2.gz CXMFVYVVFNMPOL-UHFFFAOYSA-N 1 0 381.249 2.756 20 0 GFADRO CN(CC[NH2+]Cc1cccc(OC2CC2)c1F)S(=O)(=O)c1cccs1 ZINC000657411310 565099830 /nfs/dbraw/zinc/09/98/30/565099830.db2.gz PKNXEEFBUXWMJR-UHFFFAOYSA-N 1 0 384.498 2.839 20 0 GFADRO CN(C)c1cc(Br)cc(C(=O)NC[C@@]2([NH+](C)C)CCSC2)c1 ZINC000584830161 565100743 /nfs/dbraw/zinc/10/07/43/565100743.db2.gz LYHVUROMRKWCTA-INIZCTEOSA-N 1 0 386.359 2.682 20 0 GFADRO CN(C)S(=O)(=O)N1CCCC[C@H]1C[NH2+]Cc1cc(Cl)cc(Cl)c1 ZINC000584845847 565101955 /nfs/dbraw/zinc/10/19/55/565101955.db2.gz BIYWODROMYDHES-HNNXBMFYSA-N 1 0 380.341 2.744 20 0 GFADRO OC[C@@H]([NH2+]Cc1cc(Br)ccc1OC(F)F)C1CCOCC1 ZINC000584861042 565101981 /nfs/dbraw/zinc/10/19/81/565101981.db2.gz ZJCYEDZTMUZXPR-CYBMUJFWSA-N 1 0 380.229 2.928 20 0 GFADRO Cc1ccc(C[C@@H](CO)C[NH2+]Cc2cnc3n2CCC3)cc1Br ZINC000657485117 565103261 /nfs/dbraw/zinc/10/32/61/565103261.db2.gz WZQXWACCVTYOQC-OAHLLOKOSA-N 1 0 378.314 2.841 20 0 GFADRO CC[NH+](CC)CCCNC(=O)C(=O)Nc1ccc(Br)c(F)c1C ZINC000657506266 565104929 /nfs/dbraw/zinc/10/49/29/565104929.db2.gz FALDOSDYEQJFJG-UHFFFAOYSA-N 1 0 388.281 2.683 20 0 GFADRO O=C(NCc1ccncc1Br)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000636312199 565105671 /nfs/dbraw/zinc/10/56/71/565105671.db2.gz JBIGDOSTCHSLLI-INIZCTEOSA-N 1 0 389.297 2.768 20 0 GFADRO Cc1c(F)c(Br)ccc1NC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000657527608 565106044 /nfs/dbraw/zinc/10/60/44/565106044.db2.gz VEJPOWFFILTEOZ-VXGBXAGGSA-N 1 0 398.276 2.578 20 0 GFADRO COC(C)(C)[C@H](C)[NH2+]CC(=O)Nc1ccc(I)cc1 ZINC000585726603 565106726 /nfs/dbraw/zinc/10/67/26/565106726.db2.gz YDWVHBZJLBEAGH-JTQLQIEISA-N 1 0 376.238 2.633 20 0 GFADRO O=C(NCC[NH2+]C[C@@H]1CCOc2ccccc21)c1ccc(Br)cn1 ZINC000657564368 565109100 /nfs/dbraw/zinc/10/91/00/565109100.db2.gz UPJYHZVDARNFEC-ZDUSSCGKSA-N 1 0 390.281 2.730 20 0 GFADRO CO[C@@H]1CCC[C@H]([NH2+]CC(=O)Nc2ccc(I)cc2)C1 ZINC000585743347 565109209 /nfs/dbraw/zinc/10/92/09/565109209.db2.gz MTUIJLABJLAKQN-UONOGXRCSA-N 1 0 388.249 2.777 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)c2nnc(-c3cc(Br)cn3C)n2C)[C@H](C)C1 ZINC000685529167 565110204 /nfs/dbraw/zinc/11/02/04/565110204.db2.gz IMYZKZAUKCPHFH-TZMCWYRMSA-N 1 0 395.349 2.750 20 0 GFADRO COc1cc(C[NH2+][C@H](CO)[C@@H]2CCC[C@H](OC)C2)cc(Br)c1O ZINC000657580338 565110216 /nfs/dbraw/zinc/11/02/16/565110216.db2.gz ZQWMIUCQYDHDLB-VNHYZAJKSA-N 1 0 388.302 2.819 20 0 GFADRO FC(F)(F)[C@@H](C[NH2+]Cc1cnc(N2CCOCC2)s1)OC1CCCC1 ZINC000657587519 565111209 /nfs/dbraw/zinc/11/12/09/565111209.db2.gz VYCKKFXNFBBXTA-CQSZACIVSA-N 1 0 379.448 2.959 20 0 GFADRO OCCO[C@]1(C[NH2+]Cc2ccc(-c3ccc(Br)cc3)o2)CCOC1 ZINC000657597209 565111224 /nfs/dbraw/zinc/11/12/24/565111224.db2.gz NMPOOFWXYNDIHS-SFHVURJKSA-N 1 0 396.281 2.967 20 0 GFADRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)Nc1ccc(Br)c(F)c1C ZINC000657589410 565111780 /nfs/dbraw/zinc/11/17/80/565111780.db2.gz YRRNNEMBELPSQO-SNVBAGLBSA-N 1 0 388.281 2.682 20 0 GFADRO COc1ccc(C(=O)N2CCC[C@@H]([NH+]3CCOCC3)CC2)cc1Br ZINC000614440810 565112920 /nfs/dbraw/zinc/11/29/20/565112920.db2.gz QSZGWUIAYJHGNS-OAHLLOKOSA-N 1 0 397.313 2.785 20 0 GFADRO O=c1c(Br)cccn1C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000685581281 565113254 /nfs/dbraw/zinc/11/32/54/565113254.db2.gz OFTBSMVQGYJVIN-INIZCTEOSA-N 1 0 377.282 2.902 20 0 GFADRO C[NH+](C)CCN1CCC(NC(=O)NCc2ccsc2C(F)(F)F)CC1 ZINC000636534001 565114570 /nfs/dbraw/zinc/11/45/70/565114570.db2.gz DVWBVLWOHMUGML-UHFFFAOYSA-N 1 0 378.464 2.592 20 0 GFADRO C[C@H]1CC[C@@H]([NH2+]CC2=Cc3cc(Br)ccc3OC2)CS1(=O)=O ZINC000657637119 565115886 /nfs/dbraw/zinc/11/58/86/565115886.db2.gz JFMGCDFKXRINKR-XHDPSFHLSA-N 1 0 386.311 2.780 20 0 GFADRO CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N(C)Cc2ccc(Cl)c(Cl)c2)C1 ZINC000657699007 565120749 /nfs/dbraw/zinc/12/07/49/565120749.db2.gz YOPVOSDFJHDXBC-CQSZACIVSA-N 1 0 386.323 2.941 20 0 GFADRO C[NH+]1CCC(CNC(=O)N[C@@H]2[C@H]3Cc4cc(Br)ccc4[C@@H]23)CC1 ZINC000636733828 565123540 /nfs/dbraw/zinc/12/35/40/565123540.db2.gz QVKXXYNJCPBSDI-GVDBMIGSSA-N 1 0 378.314 2.728 20 0 GFADRO O=C(CCn1cc(Br)cn1)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000614632174 565124356 /nfs/dbraw/zinc/12/43/56/565124356.db2.gz GBQAJIYYEXRNSB-UHFFFAOYSA-N 1 0 391.313 2.600 20 0 GFADRO C[C@H](NC(=O)C(=O)Nc1cccc(Br)c1F)C(C)(C)C[NH+](C)C ZINC000657732324 565124735 /nfs/dbraw/zinc/12/47/35/565124735.db2.gz LGYIFYLPEIUNGS-JTQLQIEISA-N 1 0 388.281 2.619 20 0 GFADRO COc1ccc(C[NH2+]CC(C)(C)[C@]2(O)CCCOC2)c(Br)c1O ZINC000657764170 565127212 /nfs/dbraw/zinc/12/72/12/565127212.db2.gz DJNKRBPBTNRHQM-KRWDZBQOSA-N 1 0 388.302 2.821 20 0 GFADRO CCS(=O)(=O)C1(C[NH2+]Cc2ccc(OCC(F)(F)F)c(OC)c2)CC1 ZINC000657758124 565127591 /nfs/dbraw/zinc/12/75/91/565127591.db2.gz YJXDSZSJBXTVPD-UHFFFAOYSA-N 1 0 381.416 2.693 20 0 GFADRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1cc(Br)cc2[nH]c(=O)[nH]c21 ZINC000614835717 565134566 /nfs/dbraw/zinc/13/45/66/565134566.db2.gz PREQNFGYATUSDA-IINYFYTJSA-N 1 0 393.285 2.730 20 0 GFADRO COC[C@@H](CC1CCOCC1)[NH2+]CCNC(=O)c1cccc(Br)c1 ZINC000657916415 565137152 /nfs/dbraw/zinc/13/71/52/565137152.db2.gz BEJWPFWSEGRYDW-QGZVFWFLSA-N 1 0 399.329 2.600 20 0 GFADRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)C(=O)Nc1cccc(Br)c1F ZINC000657948521 565139635 /nfs/dbraw/zinc/13/96/35/565139635.db2.gz IJQYVRAGFDALRO-RYUDHWBXSA-N 1 0 398.276 2.612 20 0 GFADRO CCCN(CC[NH+](CC)CC)C(=O)c1cc2ncc(Br)cn2n1 ZINC000637119311 565140154 /nfs/dbraw/zinc/14/01/54/565140154.db2.gz RFJQPPAKUWLDET-UHFFFAOYSA-N 1 0 382.306 2.686 20 0 GFADRO CSc1ccc([C@H](CNC(=O)N[C@H](C)[C@@H](O)C(F)(F)F)[NH+](C)C)cc1 ZINC000637175410 565143414 /nfs/dbraw/zinc/14/34/14/565143414.db2.gz FPBAQEFWJJQCID-DDTOSNHZSA-N 1 0 379.448 2.622 20 0 GFADRO C[C@H](Cn1cncn1)[NH2+][C@@H](CO)c1ccc(Br)cc1C(F)(F)F ZINC000657999468 565144026 /nfs/dbraw/zinc/14/40/26/565144026.db2.gz INJISBADRJGROU-RNCFNFMXSA-N 1 0 393.207 2.771 20 0 GFADRO COc1ccc(C(=O)N2CCC([N@@H+]3CCOC[C@H]3C)CC2)c(Br)c1 ZINC000615092025 565145523 /nfs/dbraw/zinc/14/55/23/565145523.db2.gz PQDVUGDSKLZHEO-CYBMUJFWSA-N 1 0 397.313 2.783 20 0 GFADRO C[NH+](C)C[C@@H](NC(=O)NCCN1CCCC1=O)c1ccc(Cl)c(Cl)c1 ZINC000637245361 565146502 /nfs/dbraw/zinc/14/65/02/565146502.db2.gz JLNHJJZUWXBCQW-OAHLLOKOSA-N 1 0 387.311 2.518 20 0 GFADRO Cn1ccc([C@@H]([NH2+]CCC2(CS(C)(=O)=O)CC2)c2ccc(Cl)cc2)n1 ZINC000658082237 565149126 /nfs/dbraw/zinc/14/91/26/565149126.db2.gz XPOYAUQBTSIRAH-KRWDZBQOSA-N 1 0 381.929 2.967 20 0 GFADRO O=C(NCC[NH2+]C1CCC2(CCOCC2)CC1)c1ccc(Br)cn1 ZINC000658092300 565149230 /nfs/dbraw/zinc/14/92/30/565149230.db2.gz LPKKBTSOPVMKFF-UHFFFAOYSA-N 1 0 396.329 2.903 20 0 GFADRO CO[C@H](C[NH2+][C@H](C)CC(=O)Nc1cccc(Br)c1)[C@H]1CCOC1 ZINC000658079256 565149379 /nfs/dbraw/zinc/14/93/79/565149379.db2.gz VHTVISNYXOYXFD-DVOMOZLQSA-N 1 0 385.302 2.807 20 0 GFADRO O=C(NCC[NH2+][C@@H]1CCCC12CCOCC2)c1ccc(Br)cn1 ZINC000658094696 565150352 /nfs/dbraw/zinc/15/03/52/565150352.db2.gz AICSDXLGGUSMHJ-OAHLLOKOSA-N 1 0 382.302 2.513 20 0 GFADRO O=C(NCC[NH2+][C@H]1CCCC12CCOCC2)c1ccc(Br)cn1 ZINC000658094692 565150504 /nfs/dbraw/zinc/15/05/04/565150504.db2.gz AICSDXLGGUSMHJ-HNNXBMFYSA-N 1 0 382.302 2.513 20 0 GFADRO CO[C@H](c1ccccc1)[C@@H](C)[NH2+]CCNC(=O)c1ccc(Br)cn1 ZINC000658093502 565150840 /nfs/dbraw/zinc/15/08/40/565150840.db2.gz WVVUHWULRWJVRN-DYVFJYSZSA-N 1 0 392.297 2.940 20 0 GFADRO CC[C@@H](CCc1ccc(Br)cc1)[NH2+]C[C@]1(OCCO)CCOC1 ZINC000658150200 565152851 /nfs/dbraw/zinc/15/28/51/565152851.db2.gz YMYRAFQHAIFQNE-ZWKOTPCHSA-N 1 0 386.330 2.918 20 0 GFADRO OCCO[C@]1(C[NH2+][C@@H]2CCc3c2cc(Br)cc3Cl)CCOC1 ZINC000658148183 565153206 /nfs/dbraw/zinc/15/32/06/565153206.db2.gz KRJUMSJTROTWTN-CVEARBPZSA-N 1 0 390.705 2.847 20 0 GFADRO C[NH+](C)C[C@H]1CCN(C(=O)NCc2ccc(Br)c(F)c2F)C1 ZINC000637421947 565155374 /nfs/dbraw/zinc/15/53/74/565155374.db2.gz CWMBDIWVRJSMHD-SNVBAGLBSA-N 1 0 376.245 2.820 20 0 GFADRO COc1cc(Cl)ccc1S(=O)(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000615300941 565155879 /nfs/dbraw/zinc/15/58/79/565155879.db2.gz OQBBWRXKJJIKAP-INIZCTEOSA-N 1 0 382.913 2.800 20 0 GFADRO C[C@H]([NH2+]C[C@@H]1CCC[C@@H](C)O1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000658215248 565156183 /nfs/dbraw/zinc/15/61/83/565156183.db2.gz GMSMITOIMLIUAJ-MDZLAQPJSA-N 1 0 391.331 2.705 20 0 GFADRO C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)c1c(O)cnc2c(Br)cccc21 ZINC000615302412 565156594 /nfs/dbraw/zinc/15/65/94/565156594.db2.gz MGROWSKUXSMZRQ-GXFFZTMASA-N 1 0 378.270 2.868 20 0 GFADRO COC(=O)c1sc2ccccc2c1S(=O)(=O)N[C@@H](C)C[N@H+](C)C(C)C ZINC000589236821 565157501 /nfs/dbraw/zinc/15/75/01/565157501.db2.gz LHJSAVZIFFPEHP-LBPRGKRZSA-N 1 0 384.523 2.695 20 0 GFADRO C[C@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH2+]C[C@@H]1CCC(=O)N1 ZINC000658260429 565157784 /nfs/dbraw/zinc/15/77/84/565157784.db2.gz VTUZRGVSZZBGAT-KOLCDFICSA-N 1 0 377.794 2.944 20 0 GFADRO CNC(=O)CCCN(C)C(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000637473234 565159301 /nfs/dbraw/zinc/15/93/01/565159301.db2.gz JMMQHTOTCQJLKS-OAHLLOKOSA-N 1 0 389.327 2.764 20 0 GFADRO O=C(NC[C@@H]1CC[N@@H+]1C1CCCCC1)c1cc2ncc(Br)cn2n1 ZINC000637519850 565159600 /nfs/dbraw/zinc/15/96/00/565159600.db2.gz VBUFGSAMBOAJQT-AWEZNQCLSA-N 1 0 392.301 2.629 20 0 GFADRO Cc1cc(C)c(S(N)(=O)=O)cc1[C@@H](C)[NH2+]CC1(O)CCC(F)(F)CC1 ZINC000658321258 565160538 /nfs/dbraw/zinc/16/05/38/565160538.db2.gz MEWLEHUSJJXVLW-CYBMUJFWSA-N 1 0 376.469 2.542 20 0 GFADRO C[C@@H]([NH3+])C1CCN(S(=O)(=O)c2cc(Cl)ccc2OC(F)(F)F)CC1 ZINC000658365463 565161629 /nfs/dbraw/zinc/16/16/29/565161629.db2.gz POFARWXFGUGXLW-SECBINFHSA-N 1 0 386.823 2.987 20 0 GFADRO CCCOc1ccc(Br)cc1S(=O)(=O)NCC[C@H]1CC[NH2+]C1 ZINC000658367039 565162644 /nfs/dbraw/zinc/16/26/44/565162644.db2.gz HPARSCKVLAXVQG-GFCCVEGCSA-N 1 0 391.331 2.516 20 0 GFADRO CCCOc1ccc(Br)cc1S(=O)(=O)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000658369341 565162836 /nfs/dbraw/zinc/16/28/36/565162836.db2.gz WOWMRETZSKACNQ-DGCLKSJQSA-N 1 0 391.331 2.596 20 0 GFADRO C[S@@](=O)c1cccc(C(=O)NCCN2CCc3c(Cl)cccc3C2)c1 ZINC000615481088 565162990 /nfs/dbraw/zinc/16/29/90/565162990.db2.gz FKCNLBOEDZUVFQ-RUZDIDTESA-N 1 0 376.909 2.866 20 0 GFADRO CC(C)[NH+]1CCC(O)(CNC(=O)NCc2ccsc2C(F)(F)F)CC1 ZINC000637594204 565163661 /nfs/dbraw/zinc/16/36/61/565163661.db2.gz FTVMKQNPDWTBCQ-UHFFFAOYSA-N 1 0 379.448 2.801 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H]2CN(S(=O)(=O)c3cc(Cl)ccc3OC(F)(F)F)C[C@@H]21 ZINC000658376067 565163949 /nfs/dbraw/zinc/16/39/49/565163949.db2.gz PYZPDJHTCQBMLR-ADEWGFFLSA-N 1 0 398.834 2.987 20 0 GFADRO C[C@@H]([NH3+])[C@@H](C)NS(=O)(=O)c1cc(Cl)c(Cl)cc1Br ZINC000658380203 565164526 /nfs/dbraw/zinc/16/45/26/565164526.db2.gz IUQHGPHTXHBKHO-PHDIDXHHSA-N 1 0 376.103 2.770 20 0 GFADRO O=S(=O)(c1cc(Cl)cc(Br)c1)N1CCC2(CC[NH2+]C2)CC1 ZINC000658380210 565164724 /nfs/dbraw/zinc/16/47/24/565164724.db2.gz JARJKGRRFDRGNW-UHFFFAOYSA-N 1 0 393.734 2.867 20 0 GFADRO C[NH2+]C[C@@H]1C[C@H](F)CN1S(=O)(=O)c1cc(Cl)ccc1OC(F)(F)F ZINC000658379523 565164797 /nfs/dbraw/zinc/16/47/97/565164797.db2.gz QQUFXSHTOHZJPK-UWVGGRQHSA-N 1 0 390.786 2.559 20 0 GFADRO [NH3+]CC[C@@H]1CCCCN1S(=O)(=O)c1cc(Cl)cc(Br)c1 ZINC000658379202 565164981 /nfs/dbraw/zinc/16/49/81/565164981.db2.gz IWFIQOKXGCKEGO-LBPRGKRZSA-N 1 0 381.723 2.995 20 0 GFADRO O=S(=O)(c1ncccc1C(F)(F)F)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000658385693 565165947 /nfs/dbraw/zinc/16/59/47/565165947.db2.gz OTMDYVVQODLDCJ-CYBMUJFWSA-N 1 0 377.432 2.501 20 0 GFADRO C[C@@H]1CCN(S(=O)(=O)c2cc(Cl)ccc2OC(F)(F)F)C[C@H]1C[NH3+] ZINC000658382600 565166025 /nfs/dbraw/zinc/16/60/25/565166025.db2.gz RNEOZXKRLPRAED-NXEZZACHSA-N 1 0 386.823 2.844 20 0 GFADRO CCCOc1ccc(Br)cc1S(=O)(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000658383984 565166094 /nfs/dbraw/zinc/16/60/94/565166094.db2.gz RKCLAPMADWLUFA-QWRGUYRKSA-N 1 0 379.320 2.642 20 0 GFADRO CN(CC(C)(C)[NH3+])S(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCCCO1 ZINC000658388746 565166980 /nfs/dbraw/zinc/16/69/80/565166980.db2.gz NIYLJBUSHFVMOF-AWEZNQCLSA-N 1 0 390.933 2.646 20 0 GFADRO C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1nn(C(C)(C)C)cc1Br)C2 ZINC000615608220 565167850 /nfs/dbraw/zinc/16/78/50/565167850.db2.gz UCTWPKMSZPCCIG-KRWDZBQOSA-N 1 0 383.334 2.959 20 0 GFADRO Cc1cc(Br)sc1S(=O)(=O)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000658402384 565168351 /nfs/dbraw/zinc/16/83/51/565168351.db2.gz NBOFNUFCJRFXES-JTQLQIEISA-N 1 0 379.345 2.772 20 0 GFADRO C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1cc3c(c(Br)c1)OCO3)C2 ZINC000615617609 565168644 /nfs/dbraw/zinc/16/86/44/565168644.db2.gz AAHCJNYQXFFSSX-QGZVFWFLSA-N 1 0 381.270 2.736 20 0 GFADRO O=C(Cc1c(Cl)cccc1Br)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000615659506 565169405 /nfs/dbraw/zinc/16/94/05/565169405.db2.gz MRDVLOGCLXVKAD-LBPRGKRZSA-N 1 0 389.721 2.608 20 0 GFADRO C[NH2+][C@H]1CCN(C(=O)c2cc(Br)c(C)cc2Br)C1 ZINC000637803388 565173165 /nfs/dbraw/zinc/17/31/65/565173165.db2.gz YSHPVZSBUUDOHW-VIFPVBQESA-N 1 0 376.092 2.954 20 0 GFADRO O=C(c1cc(Br)c2nccn2c1)N1CCC([NH2+]CC2CC2)CC1 ZINC000637856180 565174665 /nfs/dbraw/zinc/17/46/65/565174665.db2.gz JBYKSDIMGZFESV-UHFFFAOYSA-N 1 0 377.286 2.701 20 0 GFADRO O=C(NCc1ccc(Cl)c(Cl)c1)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000658539741 565175646 /nfs/dbraw/zinc/17/56/46/565175646.db2.gz HWYMEEBNKWCHIH-AWEZNQCLSA-N 1 0 384.307 2.696 20 0 GFADRO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)c2ccc(I)c(Cl)c2)C1 ZINC000590043734 565175869 /nfs/dbraw/zinc/17/58/69/565175869.db2.gz DUWAPSQQBMTXHG-GWCFXTLKSA-N 1 0 390.652 2.721 20 0 GFADRO Cn1cc(Br)c(CNC(=O)[C@@H](C[NH+]2CCCC2)c2ccccc2)n1 ZINC000615832859 565176951 /nfs/dbraw/zinc/17/69/51/565176951.db2.gz UIPBJNJRBZAVNR-HNNXBMFYSA-N 1 0 391.313 2.678 20 0 GFADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1C[C@@H]1c1ccc(Br)cc1 ZINC000590115924 565178401 /nfs/dbraw/zinc/17/84/01/565178401.db2.gz HHRBMIUMSQBSGG-ZACQAIPSSA-N 1 0 381.314 2.780 20 0 GFADRO CCCCNC(=O)[C@@H]1CCC[N@H+](Cc2cnn3cc(Br)cnc23)C1 ZINC000637991335 565180451 /nfs/dbraw/zinc/18/04/51/565180451.db2.gz LOKSWDQWWMIBPX-CYBMUJFWSA-N 1 0 394.317 2.620 20 0 GFADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)NCc2ccc(Cl)c(Cl)c2)C1 ZINC000658651520 565182022 /nfs/dbraw/zinc/18/20/22/565182022.db2.gz CEHVIUHMGTXAFO-AWEZNQCLSA-N 1 0 386.323 2.800 20 0 GFADRO CC(C)(O)C[NH+]1CCN(Cc2nnc(-c3c(Cl)cccc3Cl)o2)CC1 ZINC000590295172 565183188 /nfs/dbraw/zinc/18/31/88/565183188.db2.gz AXOXTVMUMCTJSE-UHFFFAOYSA-N 1 0 385.295 2.932 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)S(=O)(=O)Cc1ccccc1Cl ZINC000590300470 565183222 /nfs/dbraw/zinc/18/32/22/565183222.db2.gz VFPCMLMDHLVHJP-QGZVFWFLSA-N 1 0 387.977 2.518 20 0 GFADRO CC(C)[C@@H]([NH3+])CNC(=O)N1CCc2[nH]c3ccc(Br)cc3c2C1 ZINC000638061130 565183363 /nfs/dbraw/zinc/18/33/63/565183363.db2.gz INOKOXKFDIGPIY-AWEZNQCLSA-N 1 0 379.302 2.981 20 0 GFADRO C[NH+]1CCC2(CCN(C(=O)c3csc(I)c3)C2)CC1 ZINC000590376393 565185632 /nfs/dbraw/zinc/18/56/32/565185632.db2.gz ZKSYQYBTWMYDSR-UHFFFAOYSA-N 1 0 390.290 2.911 20 0 GFADRO [NH3+]C[C@H](NC(=O)N1CCc2[nH]c3c(cccc3Br)c2C1)C1CC1 ZINC000638155558 565186321 /nfs/dbraw/zinc/18/63/21/565186321.db2.gz NIAWROISIARUEK-HNNXBMFYSA-N 1 0 377.286 2.735 20 0 GFADRO C[C@@H](C(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1)n1cccn1 ZINC000590472533 565189226 /nfs/dbraw/zinc/18/92/26/565189226.db2.gz ZBJQTMWVSXMYAU-AWEZNQCLSA-N 1 0 379.302 2.797 20 0 GFADRO Cc1cc(C[NH+]2CCSCC2)ccc1NCc1ccc(S(N)(=O)=O)s1 ZINC000638238974 565189169 /nfs/dbraw/zinc/18/91/69/565189169.db2.gz KFGKKDVZRSEBEH-UHFFFAOYSA-N 1 0 397.591 2.865 20 0 GFADRO COc1ccc(Br)c(CNC(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000616092829 565189810 /nfs/dbraw/zinc/18/98/10/565189810.db2.gz ZTRBXYQHORURBX-ZIAGYGMSSA-N 1 0 382.302 2.884 20 0 GFADRO COc1ccc(C[NH2+]Cc2cnn3cc(Br)cnc23)cc1OC ZINC000638289162 565190030 /nfs/dbraw/zinc/19/00/30/565190030.db2.gz LEDDFLCYDPGDRV-UHFFFAOYSA-N 1 0 377.242 2.799 20 0 GFADRO NS(=O)(=O)c1ccc(CNc2cccc(C[NH+]3CCSCC3)c2)s1 ZINC000638240468 565190123 /nfs/dbraw/zinc/19/01/23/565190123.db2.gz UQZDDGNXEZACQO-UHFFFAOYSA-N 1 0 383.564 2.556 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)c2ccc(Br)c(F)c2F)CC12CCOCC2 ZINC000638262681 565190257 /nfs/dbraw/zinc/19/02/57/565190257.db2.gz PJDGHNQTCOYRNR-SNVBAGLBSA-N 1 0 389.240 2.555 20 0 GFADRO COc1ccccc1OCC[NH2+]Cc1cnn2cc(Br)cnc12 ZINC000638279815 565190323 /nfs/dbraw/zinc/19/03/23/565190323.db2.gz SGBHGFJLYIPLNE-UHFFFAOYSA-N 1 0 377.242 2.669 20 0 GFADRO COc1cccc(C[C@H]([NH3+])C(=O)N2CCc3cc(Br)ccc3C2)c1 ZINC000638298113 565191378 /nfs/dbraw/zinc/19/13/78/565191378.db2.gz DYFROYNIRXBVMM-SFHVURJKSA-N 1 0 389.293 2.912 20 0 GFADRO O=C(COc1ccc(Br)cn1)Nc1ncc(C2CC[NH2+]CC2)s1 ZINC000638328955 565192151 /nfs/dbraw/zinc/19/21/51/565192151.db2.gz NYFFQUCSVLAXSS-UHFFFAOYSA-N 1 0 397.298 2.785 20 0 GFADRO [NH3+]Cc1ncc(C(=O)N2CC[C@@H](Sc3ccc(Br)cc3)C2)cn1 ZINC000638473857 565198131 /nfs/dbraw/zinc/19/81/31/565198131.db2.gz NFJUMIBYNDDCOZ-CQSZACIVSA-N 1 0 393.310 2.705 20 0 GFADRO O=C1C[C@H]([NH2+]CC2(c3ccc(Br)cc3)CCOCC2)CCCN1 ZINC000638482853 565198232 /nfs/dbraw/zinc/19/82/32/565198232.db2.gz WHTQXTOFNIPDLZ-MRXNPFEDSA-N 1 0 381.314 2.756 20 0 GFADRO C[C@@H](C[C@@H]1CCCC(=O)N1)[NH2+]CCCNC(=O)c1ccc(Br)cc1 ZINC000638489418 565198262 /nfs/dbraw/zinc/19/82/62/565198262.db2.gz NBZHHZLWQFMMFY-BBRMVZONSA-N 1 0 396.329 2.606 20 0 GFADRO O=C(N[C@@H]1CC[NH2+]C12CCC2)C1(c2ccc(Br)cc2)CCOCC1 ZINC000638503598 565199158 /nfs/dbraw/zinc/19/91/58/565199158.db2.gz SLIWIQCCLNDWAW-MRXNPFEDSA-N 1 0 393.325 2.898 20 0 GFADRO CN1CC[C@H]([NH2+]C[C@@H](O)COCC2CC2)C[C@H]1c1ccc(Br)cc1 ZINC000638495017 565199575 /nfs/dbraw/zinc/19/95/75/565199575.db2.gz CQOZOUCYLMNNGB-OTWHNJEPSA-N 1 0 397.357 2.962 20 0 GFADRO COc1cc(Br)ccc1[C@@H]1CCCN1C(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000638532217 565200185 /nfs/dbraw/zinc/20/01/85/565200185.db2.gz KBJRQROQIMKRPK-HOCLYGCPSA-N 1 0 397.313 2.890 20 0 GFADRO COc1cc(Br)ccc1[C@H]1CCCN1C(=O)[C@@H]([NH3+])COC(C)C ZINC000638530850 565200471 /nfs/dbraw/zinc/20/04/71/565200471.db2.gz XSUUIMGELZGKSA-LSDHHAIUSA-N 1 0 385.302 2.874 20 0 GFADRO C[NH2+]Cc1ccccc1NC(=O)C(=O)NCc1sc(C)cc1Br ZINC000659102323 565201715 /nfs/dbraw/zinc/20/17/15/565201715.db2.gz ACMQIWRYQIWEBI-UHFFFAOYSA-N 1 0 396.310 2.793 20 0 GFADRO C[NH2+]CCOCCN(C)C(=O)c1cc(Br)ccc1Br ZINC000638594885 565204061 /nfs/dbraw/zinc/20/40/61/565204061.db2.gz UNSULHRFGGEBRU-UHFFFAOYSA-N 1 0 394.107 2.520 20 0 GFADRO [NH3+]CCCOCCNC(=O)c1cccnc1Oc1cccc(Br)c1 ZINC000638660332 565205158 /nfs/dbraw/zinc/20/51/58/565205158.db2.gz FANNSZZNTHEACQ-UHFFFAOYSA-N 1 0 394.269 2.732 20 0 GFADRO C[C@H]1CC[C@@H](NC(=O)CCc2nc(-c3cc(Br)cs3)no2)C[NH2+]1 ZINC000638648733 565205840 /nfs/dbraw/zinc/20/58/40/565205840.db2.gz NPJVRQAETSTVMK-GXSJLCMTSA-N 1 0 399.314 2.750 20 0 GFADRO [NH3+]CC1(NC(=O)CCc2cc(Cl)ccc2Br)CCOCC1 ZINC000638633813 565205906 /nfs/dbraw/zinc/20/59/06/565205906.db2.gz DYXJGOFQHRSKNC-UHFFFAOYSA-N 1 0 375.694 2.659 20 0 GFADRO O=C(NC[C@H]1COCC[NH2+]1)c1ccc(Oc2cccc(Cl)c2Cl)nc1 ZINC000638617442 565205912 /nfs/dbraw/zinc/20/59/12/565205912.db2.gz ZPKHCYHSKQXDMC-LBPRGKRZSA-N 1 0 382.247 2.899 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+][C@H]2CCCN(c3ccccc3Cl)C2)s1 ZINC000638676329 565206960 /nfs/dbraw/zinc/20/69/60/565206960.db2.gz UAVWLMFLLSUVPY-LBPRGKRZSA-N 1 0 385.942 2.808 20 0 GFADRO COC(=O)[C@H](c1ccc(Cl)c(Cl)c1)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000616752324 565208030 /nfs/dbraw/zinc/20/80/30/565208030.db2.gz ZMRWVIQSFUXYGK-ZACQAIPSSA-N 1 0 387.307 2.739 20 0 GFADRO COC[C@H](Cc1ccccc1)[NH2+]Cc1cnn2cc(Br)cnc12 ZINC000638717703 565208273 /nfs/dbraw/zinc/20/82/73/565208273.db2.gz BWAACZJQLNEXRE-INIZCTEOSA-N 1 0 375.270 2.839 20 0 GFADRO CN1CC[C@H]([NH2+]C[C@]2(CCO)CCOC2)C[C@H]1c1ccc(Br)cc1 ZINC000638745958 565209574 /nfs/dbraw/zinc/20/95/74/565209574.db2.gz BVHOHCZXTNUAOS-FHWLQOOXSA-N 1 0 397.357 2.963 20 0 GFADRO COc1nsc(C[NH2+][C@@H]2CCN(c3ncccc3F)C2)c1Br ZINC000638764007 565209609 /nfs/dbraw/zinc/20/96/09/565209609.db2.gz NVHJZRNKCBVPBF-SECBINFHSA-N 1 0 387.278 2.817 20 0 GFADRO O=C(c1cc(F)cc(Br)c1)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000638779491 565210699 /nfs/dbraw/zinc/21/06/99/565210699.db2.gz TVCHUUSGWSLCCO-INIZCTEOSA-N 1 0 385.277 2.819 20 0 GFADRO Cc1c(Br)cccc1C(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000638777214 565210756 /nfs/dbraw/zinc/21/07/56/565210756.db2.gz FXYJWJYUCCEMEG-OAHLLOKOSA-N 1 0 381.314 2.988 20 0 GFADRO C[C@@H]1C[C@@H](C)N(C(=O)c2cc(Br)cc3c2OCCO3)C[C@H]1C[NH3+] ZINC000659326020 565212726 /nfs/dbraw/zinc/21/27/26/565212726.db2.gz PQENSSFPCLBJKO-IJLUTSLNSA-N 1 0 383.286 2.666 20 0 GFADRO [NH3+][C@H]1Cc2ccccc2N(C(=O)c2cc(Br)cc3c2OCCO3)C1 ZINC000659325350 565212829 /nfs/dbraw/zinc/21/28/29/565212829.db2.gz OWJQJQIKTPTKIB-ZDUSSCGKSA-N 1 0 389.249 2.751 20 0 GFADRO COC(=O)C[C@@H](NC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1)c1cccs1 ZINC000591013947 565212971 /nfs/dbraw/zinc/21/29/71/565212971.db2.gz USFPJKGJGKVBSK-HUUCEWRRSA-N 1 0 382.551 2.686 20 0 GFADRO O=C(c1sc2c(c1Br)CNC2)N1CCC2(CC[NH2+]CC2)CC1 ZINC000659322485 565213011 /nfs/dbraw/zinc/21/30/11/565213011.db2.gz OFJYFLVZWPBFQX-UHFFFAOYSA-N 1 0 384.343 2.720 20 0 GFADRO O=C(N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1)c1ccc(Br)cn1 ZINC000659354625 565213960 /nfs/dbraw/zinc/21/39/60/565213960.db2.gz ZNDVWSRFSMGSRN-HOCLYGCPSA-N 1 0 378.245 2.859 20 0 GFADRO [NH3+]Cc1cc(C(=O)N2CCOC[C@@H]2c2ccc(Br)cc2)ccn1 ZINC000659358651 565214100 /nfs/dbraw/zinc/21/41/00/565214100.db2.gz LVLHGCRUDDVRIW-MRXNPFEDSA-N 1 0 376.254 2.517 20 0 GFADRO O=C([C@H]1CCCC[NH2+]1)N1CC2(CCOCC2)c2ccc(Br)cc21 ZINC000638842697 565214632 /nfs/dbraw/zinc/21/46/32/565214632.db2.gz YRGUGPQTQICREB-OAHLLOKOSA-N 1 0 379.298 2.986 20 0 GFADRO CCc1c(C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)cnn1-c1ccc(Br)cc1 ZINC000659388310 565215227 /nfs/dbraw/zinc/21/52/27/565215227.db2.gz BCJNXLNXEPOSKN-HUUCEWRRSA-N 1 0 395.276 2.709 20 0 GFADRO C[C@H](C[NH3+])C(=O)N1CCc2cc(Br)c(Br)cc2C1 ZINC000659381131 565215295 /nfs/dbraw/zinc/21/52/95/565215295.db2.gz DXKZGONACCOBFL-MRVPVSSYSA-N 1 0 376.092 2.691 20 0 GFADRO [NH3+][C@@H](CCNC(=O)c1cc2c(cc1Br)OCO2)Cc1ccccc1 ZINC000638882586 565215350 /nfs/dbraw/zinc/21/53/50/565215350.db2.gz ULRVJZPDGKSZHW-ZDUSSCGKSA-N 1 0 391.265 2.868 20 0 GFADRO CN(CC(C)(C)[NH3+])C(=O)NCc1cc(Br)ccc1OC(F)F ZINC000659448457 565218068 /nfs/dbraw/zinc/21/80/68/565218068.db2.gz VRBRXVZJHSXZMQ-UHFFFAOYSA-N 1 0 380.233 2.929 20 0 GFADRO C[C@@H](NC(=O)N1CCN(c2ccc(Br)cc2)CC1)[C@H]1CCC[NH2+]C1 ZINC000659513265 565218980 /nfs/dbraw/zinc/21/89/80/565218980.db2.gz XKFOCHIIBXXIEF-CABCVRRESA-N 1 0 395.345 2.669 20 0 GFADRO C[C@@H]1C[C@H]([NH3+])CN1C(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000638940556 565219107 /nfs/dbraw/zinc/21/91/07/565219107.db2.gz SHYLTXQJPIVQFO-XBFCOCLRSA-N 1 0 384.307 2.794 20 0 GFADRO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)N1CCOc2cc(Br)ccc2C1 ZINC000659525148 565219127 /nfs/dbraw/zinc/21/91/27/565219127.db2.gz WGNNTNDGXKWMIH-DOMZBBRYSA-N 1 0 382.302 2.871 20 0 GFADRO O=C(N[C@@H]1CCC[NH2+]CC1)N1CCOC[C@H]1c1ccc(Br)cc1 ZINC000659537538 565220075 /nfs/dbraw/zinc/22/00/75/565220075.db2.gz SJKWLODBTLZWHC-CVEARBPZSA-N 1 0 382.302 2.674 20 0 GFADRO C[C@H](CCCC[NH3+])NC(=O)N1CCN(c2ccc(Br)cc2)CC1 ZINC000659548692 565220571 /nfs/dbraw/zinc/22/05/71/565220571.db2.gz PGDSXOXQQQHOQJ-CQSZACIVSA-N 1 0 383.334 2.798 20 0 GFADRO CN(C)c1cc[nH+]c(NC(=O)Cc2ccc(I)cc2)c1 ZINC000617113261 565221592 /nfs/dbraw/zinc/22/15/92/565221592.db2.gz USCXXWGUOLCHIS-UHFFFAOYSA-N 1 0 381.217 2.933 20 0 GFADRO CCN(CCOc1ccc(Br)cc1)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659619361 565221664 /nfs/dbraw/zinc/22/16/64/565221664.db2.gz WTFLFTXHBQMPJJ-UHFFFAOYSA-N 1 0 382.302 2.611 20 0 GFADRO C[NH2+][C@@H]1CCCN(C(=O)Nc2cc(C(=O)OC)c(F)cc2Br)C1 ZINC000591287463 565221758 /nfs/dbraw/zinc/22/17/58/565221758.db2.gz ZVWZGDYQNPZFSA-SECBINFHSA-N 1 0 388.237 2.591 20 0 GFADRO O=C(NCC1CC[NH+](C2CCOCC2)CC1)c1ccc(Br)cc1O ZINC000617111340 565221888 /nfs/dbraw/zinc/22/18/88/565221888.db2.gz QCXPJUUSWYYBRP-UHFFFAOYSA-N 1 0 397.313 2.776 20 0 GFADRO O=C(NCC1CC[NH+](C2CCOCC2)CC1)c1cc(Br)ccc1O ZINC000617113847 565221937 /nfs/dbraw/zinc/22/19/37/565221937.db2.gz XRJMWRCMARGILT-UHFFFAOYSA-N 1 0 397.313 2.776 20 0 GFADRO CC[C@H]1CN(C(=O)Nc2ccc(Br)cc2C(=O)OC)CC[C@@H]1[NH3+] ZINC000591292023 565221975 /nfs/dbraw/zinc/22/19/75/565221975.db2.gz BVCPJBDSSARTAH-GWCFXTLKSA-N 1 0 384.274 2.827 20 0 GFADRO COC(=O)c1cc(NC(=O)N[C@](C)(C[NH3+])C(C)C)c(Br)cc1F ZINC000591287311 565222021 /nfs/dbraw/zinc/22/20/21/565222021.db2.gz MCOWGKIOOCLYNP-OAHLLOKOSA-N 1 0 390.253 2.870 20 0 GFADRO CO[C@H](C[NH2+]CCC(=O)Nc1ccc(Br)cc1C)[C@H]1CCOC1 ZINC000639042519 565222122 /nfs/dbraw/zinc/22/21/22/565222122.db2.gz XVMNEXPHSWMLAY-XJKSGUPXSA-N 1 0 385.302 2.727 20 0 GFADRO COCCO[C@@H]1COCC[C@@H]1[NH2+]Cc1nc2cc(Br)ccc2o1 ZINC000639061722 565223099 /nfs/dbraw/zinc/22/30/99/565223099.db2.gz QAYOMUWWAQEQNZ-SWLSCSKDSA-N 1 0 385.258 2.500 20 0 GFADRO [NH3+]C[C@H]1CCN(C(=O)COc2ccc(Br)cn2)c2ccccc21 ZINC000639063454 565223145 /nfs/dbraw/zinc/22/31/45/565223145.db2.gz GCEIBKKOEHTYRA-GFCCVEGCSA-N 1 0 376.254 2.702 20 0 GFADRO COc1nsc(C[NH2+][C@H]2CCCO[C@@H]2c2cnn(C)c2)c1Br ZINC000639080351 565224557 /nfs/dbraw/zinc/22/45/57/565224557.db2.gz QTYZZWZWISMCDY-GXFFZTMASA-N 1 0 387.303 2.658 20 0 GFADRO C[C@H](C[C@@H]1CCCC(=O)N1)[NH2+]C[C@@H](CO)Cc1cccc(Br)c1 ZINC000639105140 565225642 /nfs/dbraw/zinc/22/56/42/565225642.db2.gz NQNLIUHAGQITNN-KMFMINBZSA-N 1 0 383.330 2.637 20 0 GFADRO C[C@H](C[C@H]1CCCC(=O)N1)[NH2+]C[C@@H](CO)Cc1cccc(Br)c1 ZINC000639105141 565226496 /nfs/dbraw/zinc/22/64/96/565226496.db2.gz NQNLIUHAGQITNN-UKPHBRMFSA-N 1 0 383.330 2.637 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CN(C(=O)NCCSCc2ccc(Cl)cc2Cl)CCO1 ZINC000591356298 565227511 /nfs/dbraw/zinc/22/75/11/565227511.db2.gz NHEWTCIYFSDFHO-IAQYHMDHSA-N 1 0 392.352 2.984 20 0 GFADRO C[NH+](C)CCOc1ccc(CCNS(=O)(=O)c2cccc(Cl)c2)cc1 ZINC000591394132 565228135 /nfs/dbraw/zinc/22/81/35/565228135.db2.gz JBNQMELBGKNAJF-UHFFFAOYSA-N 1 0 382.913 2.801 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CCCN(c2ncnc3ccc(I)cc32)C1 ZINC000591428635 565229424 /nfs/dbraw/zinc/22/94/24/565229424.db2.gz YGVUGIQGSZKGOV-GHMZBOCLSA-N 1 0 382.249 2.798 20 0 GFADRO C[N@H+](CCc1cccc(Br)c1)Cc1ccc(S(N)(=O)=O)s1 ZINC000639197298 565232347 /nfs/dbraw/zinc/23/23/47/565232347.db2.gz PPIBLLBXVCPNIG-UHFFFAOYSA-N 1 0 389.340 2.833 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)c2cccnc2-n2cc(Br)cn2)C1 ZINC000617341837 565233032 /nfs/dbraw/zinc/23/30/32/565233032.db2.gz ZYJUQXWDHNOEET-CYBMUJFWSA-N 1 0 392.301 2.632 20 0 GFADRO COC[C@](C)(O)CC[NH2+][C@H]1CCN(C)[C@H](c2ccc(Br)cc2)C1 ZINC000639217019 565233235 /nfs/dbraw/zinc/23/32/35/565233235.db2.gz CXKQHOMCBNDOCI-OKZBNKHCSA-N 1 0 385.346 2.962 20 0 GFADRO O=C(CN1CC[C@@H](C[NH+]2CCCC2)C1)c1c[nH]c2ncc(Br)cc12 ZINC000659949341 565233772 /nfs/dbraw/zinc/23/37/72/565233772.db2.gz VSDJMCYPYAKJTO-ZDUSSCGKSA-N 1 0 391.313 2.926 20 0 GFADRO CN(CCC[NH3+])C(=O)c1cc(I)cc(C(F)(F)F)c1 ZINC000591679404 565236075 /nfs/dbraw/zinc/23/60/75/565236075.db2.gz TVNAECFYIUOSTG-UHFFFAOYSA-N 1 0 386.155 2.731 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+][C@H](c2ccccc2)C2(CO)CCCC2)s1 ZINC000639246845 565236350 /nfs/dbraw/zinc/23/63/50/565236350.db2.gz MKJMHEOIBONMGO-QGZVFWFLSA-N 1 0 380.535 2.779 20 0 GFADRO CN1CC[C@@H]([NH2+][C@@H]2CC[C@H](C(N)=O)C2)C[C@H]1c1ccc(Br)cc1 ZINC000639252482 565236541 /nfs/dbraw/zinc/23/65/41/565236541.db2.gz JDXWTMFJYRZSCT-SVGFKBNWSA-N 1 0 380.330 2.828 20 0 GFADRO O=S1(=O)CCCN1C1CC[NH+](Cc2ccc(CC(F)(F)F)cc2)CC1 ZINC000639261654 565236560 /nfs/dbraw/zinc/23/65/60/565236560.db2.gz PTNSQYXRIJWYOQ-UHFFFAOYSA-N 1 0 376.444 2.791 20 0 GFADRO Cc1c(C(=O)N[C@@H]2CCC[N@@H+](C)C2)cnn1-c1ccc(Br)cc1 ZINC000617414707 565236994 /nfs/dbraw/zinc/23/69/94/565236994.db2.gz OWTFNKBMIQHYHV-CQSZACIVSA-N 1 0 377.286 2.767 20 0 GFADRO CCOc1cc(Br)c(CC(=O)N[C@@H]2CCC[N@H+](C)C2)cc1OCC ZINC000617412334 565237043 /nfs/dbraw/zinc/23/70/43/565237043.db2.gz HFLKKCFSUVSSSQ-CQSZACIVSA-N 1 0 399.329 2.999 20 0 GFADRO CN1CC[C@H]([NH2+]CCN2CCCC2=O)C[C@H]1c1ccc(Br)cc1 ZINC000639293614 565237569 /nfs/dbraw/zinc/23/75/69/565237569.db2.gz FIWOLFMQRSXCLW-IRXDYDNUSA-N 1 0 380.330 2.796 20 0 GFADRO Cc1ccc(Br)c(S(=O)(=O)N2CCCC[C@H]2C[NH+](C)C)c1 ZINC000660008750 565238057 /nfs/dbraw/zinc/23/80/57/565238057.db2.gz GYBVEUOORKTAIP-ZDUSSCGKSA-N 1 0 375.332 2.862 20 0 GFADRO C[NH+](C)C[C@@H]1CCCCN1S(=O)(=O)Cc1ccc(Br)cc1 ZINC000660009479 565238231 /nfs/dbraw/zinc/23/82/31/565238231.db2.gz TUXAVMRIZOKWFU-HNNXBMFYSA-N 1 0 375.332 2.695 20 0 GFADRO C[N@@H+]1CCC[C@@H]2CN(CC(=O)c3c[nH]c4ncc(Br)cc34)CC[C@H]21 ZINC000660013423 565238733 /nfs/dbraw/zinc/23/87/33/565238733.db2.gz XKONMROJXOUSOF-MLGOLLRUSA-N 1 0 391.313 2.924 20 0 GFADRO CCC[N@@H+]1CC[C@@H](NS(=O)(=O)c2cc(Br)sc2Cl)C1 ZINC000660027774 565240526 /nfs/dbraw/zinc/24/05/26/565240526.db2.gz OWLWHOBBQQOTAV-MRVPVSSYSA-N 1 0 387.752 2.927 20 0 GFADRO CCC[N@@H+]1CC[C@H](NS(=O)(=O)Cc2cccc(Br)c2C)C1 ZINC000660028931 565240669 /nfs/dbraw/zinc/24/06/69/565240669.db2.gz YQJVFJMBKGJDTF-AWEZNQCLSA-N 1 0 375.332 2.661 20 0 GFADRO CC(=O)N1CC[C@@H]([NH2+][C@@H]2CCN(C)[C@@H](c3ccc(Br)cc3)C2)C1 ZINC000639341818 565241178 /nfs/dbraw/zinc/24/11/78/565241178.db2.gz VIDTVRWRDHQNSC-KZNAEPCWSA-N 1 0 380.330 2.795 20 0 GFADRO CCC1([NH+]2CCCC2)CCN(Cc2ccc(Cl)c(S(N)(=O)=O)c2)CC1 ZINC000639376136 565242654 /nfs/dbraw/zinc/24/26/54/565242654.db2.gz VMRBDLYELOCBNF-UHFFFAOYSA-N 1 0 385.961 2.828 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+][C@@H]2[C@H]3Cc4cc(Br)ccc4[C@@H]23)cc1 ZINC000639377684 565242683 /nfs/dbraw/zinc/24/26/83/565242683.db2.gz OPIGMLRRRDTHKX-GVDBMIGSSA-N 1 0 393.306 2.524 20 0 GFADRO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)c1[nH]c2ccccc2c1Br ZINC000617505262 565242863 /nfs/dbraw/zinc/24/28/63/565242863.db2.gz ZLCTVJFPCIWEJT-ZDUSSCGKSA-N 1 0 395.345 2.932 20 0 GFADRO Nc1c(Br)cc(Br)cc1C[NH2+]CC[C@H](O)C(F)F ZINC000639378821 565242852 /nfs/dbraw/zinc/24/28/52/565242852.db2.gz XAKOPWKJEPNOAP-VIFPVBQESA-N 1 0 388.050 2.900 20 0 GFADRO Cc1ccc(Br)cc1CC(=O)N[C@@H](C)CN(C)CCC[NH+](C)C ZINC000617503802 565242947 /nfs/dbraw/zinc/24/29/47/565242947.db2.gz ZXCUSIPCTJBYDY-HNNXBMFYSA-N 1 0 384.362 2.688 20 0 GFADRO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)c1c(F)ccc(Br)c1F ZINC000617507124 565244106 /nfs/dbraw/zinc/24/41/06/565244106.db2.gz JDSORIKEHYUCCE-NSHDSACASA-N 1 0 392.288 2.729 20 0 GFADRO O[C@H](COc1cc(Cl)cc(Cl)c1)CN1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000639435688 565245832 /nfs/dbraw/zinc/24/58/32/565245832.db2.gz YLSKYCZVLDCDSN-IRXDYDNUSA-N 1 0 389.323 2.530 20 0 GFADRO CCN(C(=O)[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)[C@H]1CC[N@H+](C)C1 ZINC000617556076 565246683 /nfs/dbraw/zinc/24/66/83/565246683.db2.gz JISQXMKCBCMXOT-UONOGXRCSA-N 1 0 384.307 2.899 20 0 GFADRO C[C@H]1OCC[C@H]1C[N@@H+]1CCCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000639472485 565248501 /nfs/dbraw/zinc/24/85/01/565248501.db2.gz KDSDEWYZSNCLFD-OLZOCXBDSA-N 1 0 378.947 2.523 20 0 GFADRO O[C@H](C[N@H+](Cc1csc(Br)c1)C1CC1)CC1(O)CCOCC1 ZINC000639545930 565249566 /nfs/dbraw/zinc/24/95/66/565249566.db2.gz FVULBJKQISPHKV-AWEZNQCLSA-N 1 0 390.343 2.768 20 0 GFADRO CCC[N@H+](C)CC(C)(C)NS(=O)(=O)c1ccc(F)cc1Br ZINC000660107034 565253904 /nfs/dbraw/zinc/25/39/04/565253904.db2.gz KPZMQGMQLKKPLR-UHFFFAOYSA-N 1 0 381.311 2.987 20 0 GFADRO COCC(C)(C)[NH+]1CCN(C[C@@H](O)COc2cc(Cl)cc(Cl)c2)CC1 ZINC000639676257 565254234 /nfs/dbraw/zinc/25/42/34/565254234.db2.gz PCSKSJGLYYBGLE-MRXNPFEDSA-N 1 0 391.339 2.776 20 0 GFADRO C[C@@H](CCNC(=O)CSc1nnc(-c2cccs2)n1C1CC1)[NH+](C)C ZINC000617751864 565256607 /nfs/dbraw/zinc/25/66/07/565256607.db2.gz DWCIYZWCNGBNMU-LBPRGKRZSA-N 1 0 379.555 2.890 20 0 GFADRO COc1ccc(Br)c(C[N@@H+]2CC[C@@H](c3cc(=O)[nH]c(=O)[nH]3)C2)c1 ZINC000639714584 565257166 /nfs/dbraw/zinc/25/71/66/565257166.db2.gz WAQKGOVLONIWPW-SNVBAGLBSA-N 1 0 380.242 2.648 20 0 GFADRO C[C@@H](CCNC(=O)[C@H](c1cc(Cl)cc(Cl)c1)N1CCOCC1)[NH+](C)C ZINC000617755440 565257388 /nfs/dbraw/zinc/25/73/88/565257388.db2.gz OGQBMTGRXAWUKJ-GUYCJALGSA-N 1 0 388.339 2.823 20 0 GFADRO C[C@H](CCNC(=O)C1(c2ccc(Br)cc2)CCOCC1)[NH+](C)C ZINC000617752164 565257484 /nfs/dbraw/zinc/25/74/84/565257484.db2.gz KSXPMHIUMHVULS-CQSZACIVSA-N 1 0 383.330 2.954 20 0 GFADRO CN(CCC[NH+](C)C)CCNC(=O)C(C)(C)c1cccc(Br)c1 ZINC000617767239 565257905 /nfs/dbraw/zinc/25/79/05/565257905.db2.gz LWHLULDBYIRJRS-UHFFFAOYSA-N 1 0 384.362 2.726 20 0 GFADRO CN(CCC[NH+](C)C)CCNC(=O)C(C)(C)c1ccccc1Br ZINC000617764466 565257953 /nfs/dbraw/zinc/25/79/53/565257953.db2.gz YRZKTFNLQRMUGY-UHFFFAOYSA-N 1 0 384.362 2.726 20 0 GFADRO CC[C@@H]1CN(C(=O)c2scc(C)c2I)CC[C@H]1[NH3+] ZINC000592331693 565270385 /nfs/dbraw/zinc/27/03/85/565270385.db2.gz NNBCPAJTCXMGPC-NXEZZACHSA-N 1 0 378.279 2.861 20 0 GFADRO CC(C)(C[NH2+]Cc1ccc(F)cc1I)[C@]1(O)CCOC1 ZINC000592374769 565272544 /nfs/dbraw/zinc/27/25/44/565272544.db2.gz ILGXITCHIPHSOH-HNNXBMFYSA-N 1 0 393.240 2.698 20 0 GFADRO CO[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+][C@H]1CCC[C@@H]1c1ccccc1C(F)(F)F ZINC000660373369 565272663 /nfs/dbraw/zinc/27/26/63/565272663.db2.gz QJHKIZCHWMRNQL-SYAUCNOPSA-N 1 0 377.428 2.743 20 0 GFADRO CO[C@@H]1CN(Cc2nc(-c3ccc(Br)s3)no2)[C@@](C)(CO)C1 ZINC000639998517 565273232 /nfs/dbraw/zinc/27/32/32/565273232.db2.gz CZBYBOMSFACACZ-LKFCYVNXSA-N 1 0 388.287 2.532 20 0 GFADRO OCC[C@@H]1CCC[N@H+](C[C@@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000592391297 565273535 /nfs/dbraw/zinc/27/35/35/565273535.db2.gz RKPCYRNYOVRNPL-GXTWGEPZSA-N 1 0 392.721 2.937 20 0 GFADRO O=C(CCOc1ccc(Cl)c(Cl)c1)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000592403692 565274063 /nfs/dbraw/zinc/27/40/63/565274063.db2.gz FOECJXRVMQCEEC-IRXDYDNUSA-N 1 0 387.307 2.820 20 0 GFADRO OC[C@@H]1C[N@H+](C[C@@H](O)COc2ccc(Cl)cc2Cl)C[C@H]1C(F)(F)F ZINC000640040638 565276584 /nfs/dbraw/zinc/27/65/84/565276584.db2.gz FADMXAYDGMTNSB-MVWJERBFSA-N 1 0 388.213 2.836 20 0 GFADRO CCOc1c(Cl)cc(C[NH2+]Cc2ccc(S(N)(=O)=O)cc2)cc1OC ZINC000592445962 565276766 /nfs/dbraw/zinc/27/67/66/565276766.db2.gz UHXTWIOHSDPJRA-UHFFFAOYSA-N 1 0 384.885 2.685 20 0 GFADRO CCC[N@@H+]1CC[C@H](NC(=O)NCc2cc(Br)c3c(c2)OCCO3)C1 ZINC000660486815 565279376 /nfs/dbraw/zinc/27/93/76/565279376.db2.gz TVEDCAXQVMFPSB-ZDUSSCGKSA-N 1 0 398.301 2.504 20 0 GFADRO CC[C@H]1CN(C(=O)c2c(F)cccc2I)CC[C@@H]1[NH3+] ZINC000592545794 565281000 /nfs/dbraw/zinc/28/10/00/565281000.db2.gz XCKWLKNVPLTPOR-CABZTGNLSA-N 1 0 376.213 2.630 20 0 GFADRO COC(=O)c1ccc(C[NH2+]CC(C)(C)[C@]2(O)CCOC2)c(Br)c1 ZINC000592523506 565281060 /nfs/dbraw/zinc/28/10/60/565281060.db2.gz MYVVIBJPLJBKDT-KRWDZBQOSA-N 1 0 386.286 2.503 20 0 GFADRO [NH3+]C[C@H]1CCCn2ncc(C(=O)N3CCc4cc(Br)ccc4C3)c21 ZINC000592564414 565282195 /nfs/dbraw/zinc/28/21/95/565282195.db2.gz SOFWIOOKYQLEBU-CYBMUJFWSA-N 1 0 389.297 2.680 20 0 GFADRO Cc1nn(C)c(NC(=O)NC[C@@H]2CCC[N@H+](CC3CC3)C2)c1Br ZINC000640168254 565284554 /nfs/dbraw/zinc/28/45/54/565284554.db2.gz CPOXUFVWQCRPLZ-ZDUSSCGKSA-N 1 0 384.322 2.735 20 0 GFADRO O=S(=O)(CC[NH2+]C1(CCO)CCCC1)c1cccc(Br)c1 ZINC000660679009 565287939 /nfs/dbraw/zinc/28/79/39/565287939.db2.gz USKGJPIWOFCQAL-UHFFFAOYSA-N 1 0 376.316 2.508 20 0 GFADRO C[NH+]1CCC(NC(=O)Nc2cc(N3CCOCC3)ccc2Br)CC1 ZINC000640233296 565288976 /nfs/dbraw/zinc/28/89/76/565288976.db2.gz PPNDECMOJXXTQC-UHFFFAOYSA-N 1 0 397.317 2.501 20 0 GFADRO O=C(C[NH2+]C1(CCO)CCCC1)Nc1c(F)cc(F)cc1Br ZINC000660681053 565289099 /nfs/dbraw/zinc/28/90/99/565289099.db2.gz JDACGOVGDRPVGD-UHFFFAOYSA-N 1 0 377.229 2.951 20 0 GFADRO Cn1ncc(Br)c1C(=O)N1CC[C@@H]([N@H+](C)CCc2ccccc2)C1 ZINC000618351323 565292030 /nfs/dbraw/zinc/29/20/30/565292030.db2.gz VHJSMUYCEMWZAL-OAHLLOKOSA-N 1 0 391.313 2.572 20 0 GFADRO COCCC[N@H+](C)CCNC(=O)N1CC[C@@H]1c1ccc(Br)cc1 ZINC000660740196 565292309 /nfs/dbraw/zinc/29/23/09/565292309.db2.gz NIGWYHBJGYIJNN-MRXNPFEDSA-N 1 0 384.318 2.874 20 0 GFADRO C[C@@H](CNC(=O)c1ccn(-c2cccc(Br)c2)n1)[NH+]1CCCC1 ZINC000592761278 565292491 /nfs/dbraw/zinc/29/24/91/565292491.db2.gz PIMQKOWTISXEOF-ZDUSSCGKSA-N 1 0 377.286 2.849 20 0 GFADRO Cn1ncc2c1CCCN(CC(=O)c1c[nH]c3ncc(Br)cc13)C2 ZINC000660796496 565294483 /nfs/dbraw/zinc/29/44/83/565294483.db2.gz JNSGRPJYZCLWHM-UHFFFAOYSA-N 1 0 388.269 2.690 20 0 GFADRO OCCC1CC[NH+](C[C@H](O)COc2ccc(Cl)cc2Br)CC1 ZINC000592809849 565298420 /nfs/dbraw/zinc/29/84/20/565298420.db2.gz DGRURFCFZKVZOB-AWEZNQCLSA-N 1 0 392.721 2.937 20 0 GFADRO CO[C@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)N(C)CC1C[NH+](C)C1 ZINC000660987109 565301796 /nfs/dbraw/zinc/30/17/96/565301796.db2.gz PLSMNYKTDCJSHA-WBMJQRKESA-N 1 0 384.318 2.728 20 0 GFADRO CCC[N@H+](C)CC(=O)N1CCC(C(=O)Nc2ccccc2Br)CC1 ZINC000592864347 565302135 /nfs/dbraw/zinc/30/21/35/565302135.db2.gz SPLJUWWTOSDPKU-UHFFFAOYSA-N 1 0 396.329 2.968 20 0 GFADRO COc1ncc(Br)cc1C[NH2+][C@@H](C1CC1)C1(CO)CCOCC1 ZINC000661077688 565305826 /nfs/dbraw/zinc/30/58/26/565305826.db2.gz SQIDIDYCZSMNME-HNNXBMFYSA-N 1 0 385.302 2.510 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)NCCCCn2cc(Br)cn2)C1 ZINC000661100389 565307134 /nfs/dbraw/zinc/30/71/34/565307134.db2.gz QARMULSZWFTPCW-CQSZACIVSA-N 1 0 386.338 2.598 20 0 GFADRO C[C@]1(C2CC2)C[N@H+](C[C@H](O)COc2cc(F)cc(Br)c2)CCO1 ZINC000661166862 565311634 /nfs/dbraw/zinc/31/16/34/565311634.db2.gz CPHDDEPCEUOWJY-DOTOQJQBSA-N 1 0 388.277 2.829 20 0 GFADRO CO[C@@H]1CCC[C@H]([C@@H](CO)[NH2+]C[C@@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000661217363 565315378 /nfs/dbraw/zinc/31/53/78/565315378.db2.gz IDNKWKCPKNOKKA-ZOMKSWQUSA-N 1 0 392.323 2.889 20 0 GFADRO C[NH+](C)Cc1ccnc(NC(=O)N[C@@H](CO)c2cccc(Br)c2)c1 ZINC000640565831 565316751 /nfs/dbraw/zinc/31/67/51/565316751.db2.gz XKTDKGHUOBACRB-HNNXBMFYSA-N 1 0 393.285 2.761 20 0 GFADRO COc1ncc(Br)cc1CNC(=O)Nc1cc(C[NH+](C)C)ccn1 ZINC000640577435 565317855 /nfs/dbraw/zinc/31/78/55/565317855.db2.gz RVIAPLGISWHQEK-UHFFFAOYSA-N 1 0 394.273 2.631 20 0 GFADRO C[C@@H]1C[N@H+](C)[C@H](C)[C@@H](C)N1C(=O)c1csc(I)c1 ZINC000593189212 565318722 /nfs/dbraw/zinc/31/87/22/565318722.db2.gz XPCMVONNLOKJBQ-OPRDCNLKSA-N 1 0 378.279 2.906 20 0 GFADRO COC(=O)c1cc(Br)cc(C(=O)N2[C@H](C)C[N@H+](C)[C@@H](C)[C@H]2C)c1 ZINC000593191285 565318777 /nfs/dbraw/zinc/31/87/77/565318777.db2.gz XNRLLINSMFFIRN-GRYCIOLGSA-N 1 0 383.286 2.789 20 0 GFADRO CN(C)c1cc[nH+]c(NC(=O)COc2cccc(I)c2)c1 ZINC000618861945 565319351 /nfs/dbraw/zinc/31/93/51/565319351.db2.gz ISPATVWJINZMDO-UHFFFAOYSA-N 1 0 397.216 2.770 20 0 GFADRO Cc1c(Br)cccc1CNC(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000661361721 565320338 /nfs/dbraw/zinc/32/03/38/565320338.db2.gz NXBWIMUWJJVKSY-MRXNPFEDSA-N 1 0 396.329 2.810 20 0 GFADRO COC[C@@H](C)OC[C@H](O)C[NH+]1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000661376634 565320863 /nfs/dbraw/zinc/32/08/63/565320863.db2.gz FKZPEDNIUYAYPR-UKRRQHHQSA-N 1 0 377.312 2.528 20 0 GFADRO C[C@@H](CO)[C@@H]1CCCC[N@@H+]1CC(=O)N(C)Cc1cc(Br)cs1 ZINC000661436088 565323851 /nfs/dbraw/zinc/32/38/51/565323851.db2.gz AAEJSRQIJXRWKT-WFASDCNBSA-N 1 0 389.359 2.952 20 0 GFADRO C[C@H](NC(=O)Cn1cc(C2CC[NH2+]CC2)nn1)c1ccc(Cl)c(Cl)c1 ZINC000640849269 565330899 /nfs/dbraw/zinc/33/08/99/565330899.db2.gz VKRVUPKDSXJVKH-NSHDSACASA-N 1 0 382.295 2.929 20 0 GFADRO C[NH2+]C(C)(C)c1cn(CC(=O)Nc2ccc(Br)cc2Cl)nn1 ZINC000640895066 565334757 /nfs/dbraw/zinc/33/47/57/565334757.db2.gz HQGPXHUQWIRCPP-UHFFFAOYSA-N 1 0 386.681 2.787 20 0 GFADRO CC(C)[C@H]([NH3+])c1cn(CC(=O)Nc2c(F)cc(F)cc2Br)nn1 ZINC000640895818 565335011 /nfs/dbraw/zinc/33/50/11/565335011.db2.gz QVZFSNGRIUBKEF-ZDUSSCGKSA-N 1 0 388.216 2.613 20 0 GFADRO CC(C)[C@@H]([NH3+])c1cn([C@@H](C)C(=O)N(C)Cc2ccc(Br)cc2)nn1 ZINC000640925292 565337272 /nfs/dbraw/zinc/33/72/72/565337272.db2.gz IJUZCBZFJAVMRP-BLLLJJGKSA-N 1 0 394.317 2.916 20 0 GFADRO C[C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)n1cc([C@@H]([NH3+])[C@H]2CCCO2)nn1 ZINC000640921775 565337471 /nfs/dbraw/zinc/33/74/71/565337471.db2.gz CWPWEVXSBRTBQQ-DFKRKDTASA-N 1 0 384.267 2.963 20 0 GFADRO CCC[C@@H]([NH3+])c1cn(CC(=O)N(C)Cc2cc(Br)cs2)nn1 ZINC000640980179 565339761 /nfs/dbraw/zinc/33/97/61/565339761.db2.gz RSBPKSKDRJVGJP-GFCCVEGCSA-N 1 0 386.319 2.561 20 0 GFADRO C[C@H](CCc1ccc(I)cc1)[NH2+]CCCn1cncn1 ZINC000619426316 565340072 /nfs/dbraw/zinc/34/00/72/565340072.db2.gz SEGBVYDTAPBPRE-CYBMUJFWSA-N 1 0 384.265 2.884 20 0 GFADRO CC(C)[C@@H]([NH3+])c1cn(Cc2noc(Cc3ccc(Br)cc3)n2)nn1 ZINC000641040906 565342436 /nfs/dbraw/zinc/34/24/36/565342436.db2.gz GAJZYJKBTRKFNM-MRXNPFEDSA-N 1 0 391.273 2.719 20 0 GFADRO Brc1ccc(-c2noc(Cn3cc([C@@H]4CCC[NH2+]C4)nn3)n2)s1 ZINC000641048320 565343302 /nfs/dbraw/zinc/34/33/02/565343302.db2.gz GAQILJXMMWEKRV-SECBINFHSA-N 1 0 395.286 2.667 20 0 GFADRO CN(CCC[NH3+])Cc1cn(CC/C=C\c2ccc(Br)cc2)nn1 ZINC000641058265 565344030 /nfs/dbraw/zinc/34/40/30/565344030.db2.gz OKLPCBUEJHCTAA-DJWKRKHSSA-N 1 0 378.318 2.925 20 0 GFADRO O=C1[C@@H](n2cc(C[C@H]3CC[NH2+]C3)nn2)CCN1c1ccc(Cl)cc1Cl ZINC000641107363 565345767 /nfs/dbraw/zinc/34/57/67/565345767.db2.gz GYRYCQGBQGYCLT-BZNIZROVSA-N 1 0 380.279 2.715 20 0 GFADRO O=C1[C@H](n2cc(C[C@H]3CC[NH2+]C3)nn2)CCN1c1ccc(Cl)c(Cl)c1 ZINC000641108828 565346195 /nfs/dbraw/zinc/34/61/95/565346195.db2.gz ORZIIMRSEJKBNB-BDJLRTHQSA-N 1 0 380.279 2.715 20 0 GFADRO COc1ncc(Br)cc1Cn1cc(C[NH2+]C2CCCCC2)nn1 ZINC000641128025 565348578 /nfs/dbraw/zinc/34/85/78/565348578.db2.gz HLGXNFZGAHTBAP-UHFFFAOYSA-N 1 0 380.290 2.915 20 0 GFADRO CC[NH2+]Cc1ccn(Cc2cn(Cc3ccc(Br)cc3C)nn2)n1 ZINC000641138878 565349277 /nfs/dbraw/zinc/34/92/77/565349277.db2.gz TVGMZPHTOUKYSP-UHFFFAOYSA-N 1 0 389.301 2.752 20 0 GFADRO Brc1ccc2oc(Cn3cc(C[C@@H]4CCC[NH2+]C4)nn3)nc2c1 ZINC000641130495 565349393 /nfs/dbraw/zinc/34/93/93/565349393.db2.gz NOLKHQDIWOAZRZ-NSHDSACASA-N 1 0 376.258 2.772 20 0 GFADRO CCCOc1ccc(Br)cc1Cn1cc(C[C@@H]([NH3+])CCOC)nn1 ZINC000641135222 565349559 /nfs/dbraw/zinc/34/95/59/565349559.db2.gz QHUYPZJBQBRGCN-HNNXBMFYSA-N 1 0 397.317 2.784 20 0 GFADRO CC(C)NC(=O)[C@@H]1CCC[N@H+](Cc2cn3cc(Br)ccc3n2)C1 ZINC000662114268 565351235 /nfs/dbraw/zinc/35/12/35/565351235.db2.gz WTDROLYAXWTAAK-CYBMUJFWSA-N 1 0 379.302 2.833 20 0 GFADRO Cn1c2cc(Br)ccc2nc1Cn1cc(C[C@@H]2CCC[NH2+]C2)nn1 ZINC000641171452 565352471 /nfs/dbraw/zinc/35/24/71/565352471.db2.gz ACNMKAGJWCBRNL-LBPRGKRZSA-N 1 0 389.301 2.518 20 0 GFADRO O=C(CCN1CCC([N@@H+]2CC[C@H](O)C2)CC1)Nc1cc(Cl)ccc1Cl ZINC000662153740 565352599 /nfs/dbraw/zinc/35/25/99/565352599.db2.gz UEKJJRBVWDFQKK-HNNXBMFYSA-N 1 0 386.323 2.853 20 0 GFADRO CC[C@H]([NH2+][C@H](C)C(=O)NCCF)c1ccc(I)cc1 ZINC000619724523 565355974 /nfs/dbraw/zinc/35/59/74/565355974.db2.gz DPAYPPGZOCQSTR-MFKMUULPSA-N 1 0 378.229 2.806 20 0 GFADRO Clc1ccc(CCN2CCN(C[C@H]3CCC4(C[NH2+]C4)O3)CC2)cc1Cl ZINC000662278975 565357906 /nfs/dbraw/zinc/35/79/06/565357906.db2.gz CTBFKYHAUASTCO-MRXNPFEDSA-N 1 0 384.351 2.675 20 0 GFADRO CCN1C[C@@H](C[NH2+][C@H](C)c2ccc(F)c(I)c2)CC1=O ZINC000593718236 565358162 /nfs/dbraw/zinc/35/81/62/565358162.db2.gz CMAQRVYNKBWGGA-GHMZBOCLSA-N 1 0 390.240 2.949 20 0 GFADRO CCOC(=O)c1cc(Cl)cc(S(=O)(=O)N2CCC[C@@H](C)[C@@H]2CC[NH3+])c1 ZINC000593733802 565358241 /nfs/dbraw/zinc/35/82/41/565358241.db2.gz JXSJROWVZOMCSP-WBMJQRKESA-N 1 0 388.917 2.655 20 0 GFADRO O=C(NC1CC[NH+](CC2CC2)CC1)c1sc2c(c1Br)CNC2 ZINC000662393771 565364252 /nfs/dbraw/zinc/36/42/52/565364252.db2.gz JPJWDORSIRWOSH-UHFFFAOYSA-N 1 0 384.343 2.718 20 0 GFADRO CC(C)C[C@H](C[NH3+])CC(=O)N(C)CC(=O)Nc1ccccc1Br ZINC000662377626 565364412 /nfs/dbraw/zinc/36/44/12/565364412.db2.gz PSLCPMBUPOPBBH-ZDUSSCGKSA-N 1 0 384.318 2.857 20 0 GFADRO CC[NH+](CC)CCN(CCC(F)(F)F)S(=O)(=O)C[C@@]1(C)CC1(F)F ZINC000641374197 565367553 /nfs/dbraw/zinc/36/75/53/565367553.db2.gz HXHRCHUPQQPBBV-GFCCVEGCSA-N 1 0 380.423 2.958 20 0 GFADRO Cc1c(Br)cccc1NC(=O)c1cn([C@@H]2CCC[NH2+]CC2)nn1 ZINC000662467653 565370200 /nfs/dbraw/zinc/37/02/00/565370200.db2.gz WUIDEHNBIPGHAH-GFCCVEGCSA-N 1 0 378.274 2.916 20 0 GFADRO CCO[C@@H](CC[NH+](C)C)CNC(=O)[C@@H](NC)c1cccc(Cl)c1Cl ZINC000662536393 565375879 /nfs/dbraw/zinc/37/58/79/565375879.db2.gz LIJCGZJMRNZJQU-LRDDRELGSA-N 1 0 376.328 2.727 20 0 GFADRO CCC[NH2+]CCNC(=O)Cc1ccc(Br)c(Br)c1 ZINC000662549178 565376209 /nfs/dbraw/zinc/37/62/09/565376209.db2.gz MFOGGTJGNWAXGH-UHFFFAOYSA-N 1 0 378.108 2.870 20 0 GFADRO Cc1c(F)c(Br)ccc1C(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000662570120 565376897 /nfs/dbraw/zinc/37/68/97/565376897.db2.gz ZUKLNGCHGYUSPA-ZBFHGGJFSA-N 1 0 385.277 2.865 20 0 GFADRO Cc1cc(Br)cc(C(=O)N2CCC[C@H](n3cc(C[NH3+])nn3)C2)c1C ZINC000662576756 565378511 /nfs/dbraw/zinc/37/85/11/565378511.db2.gz ZVTGIONTSPREEH-HNNXBMFYSA-N 1 0 392.301 2.593 20 0 GFADRO C[C@H](CC(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1)n1cc(Br)cn1 ZINC000662591923 565380037 /nfs/dbraw/zinc/38/00/37/565380037.db2.gz WHICMMICEVMDAA-HIFRSBDPSA-N 1 0 383.334 2.835 20 0 GFADRO CC[C@H](Cc1ccc(Br)cc1)NC(=O)[C@@H](C)N1CCN(C)CC1 ZINC000620338926 565380616 /nfs/dbraw/zinc/38/06/16/565380616.db2.gz AEFSBAINPPOGJT-RHSMWYFYSA-N 1 0 382.346 2.522 20 0 GFADRO C[NH+](C)C[C@@H](CNS(=O)(=O)C[C@]1(C)CC1(F)F)c1ccc(Cl)cc1 ZINC000641553057 565382021 /nfs/dbraw/zinc/38/20/21/565382021.db2.gz ARYZDRZRZPVXDA-HIFRSBDPSA-N 1 0 380.888 2.950 20 0 GFADRO [NH3+]C[C@@H]1OCC[C@H]1C(=O)Nc1ccc(Oc2cccc(Br)c2)nc1 ZINC000662706401 565382196 /nfs/dbraw/zinc/38/21/96/565382196.db2.gz CHSZWCQEGMUPIL-CABCVRRESA-N 1 0 392.253 2.939 20 0 GFADRO CCCOc1c(Br)cc(C(=O)NCC23CC(C2)C[NH2+]3)cc1OC ZINC000662724146 565383129 /nfs/dbraw/zinc/38/31/29/565383129.db2.gz LTJSCJFWEPCXLH-UHFFFAOYSA-N 1 0 383.286 2.728 20 0 GFADRO CC[C@H](Cc1ccc(Br)cc1)NC(=O)c1cn(CCCC[NH3+])nn1 ZINC000662731740 565383532 /nfs/dbraw/zinc/38/35/32/565383532.db2.gz ITTOLJGFJZLIKE-OAHLLOKOSA-N 1 0 394.317 2.531 20 0 GFADRO CC[C@H](c1ccc(Br)cc1)N1CCN(C(=O)CC2([NH3+])CC2)CC1 ZINC000662718036 565383641 /nfs/dbraw/zinc/38/36/41/565383641.db2.gz IFJTXUQCDBOZEV-MRXNPFEDSA-N 1 0 380.330 2.926 20 0 GFADRO O=C(N[C@@H]1CCN(c2ccccc2Br)C1)C1([NH2+]C2CC2)CCC1 ZINC000662730282 565383703 /nfs/dbraw/zinc/38/37/03/565383703.db2.gz XMCYWFDHTYVESD-CQSZACIVSA-N 1 0 378.314 2.819 20 0 GFADRO C[NH2+]CCC1CCN(C(=O)[C@@H]2CCO[C@H]2c2cncc(Br)c2)CC1 ZINC000662764255 565384131 /nfs/dbraw/zinc/38/41/31/565384131.db2.gz NUIOGMPSYCGZNX-SJORKVTESA-N 1 0 396.329 2.770 20 0 GFADRO O=C(NCCC[C@H]1CCC[NH2+]1)[C@@H]1CCO[C@H]1c1cncc(Br)c1 ZINC000662784477 565384382 /nfs/dbraw/zinc/38/43/82/565384382.db2.gz KFPMKYBUBMAFAT-OAGGEKHMSA-N 1 0 382.302 2.570 20 0 GFADRO CN1CC[C@H](NC(=O)[C@]2(C(F)(F)F)CC[NH2+]C2)[C@@H]1c1ccc(Cl)cc1 ZINC000662796838 565384492 /nfs/dbraw/zinc/38/44/92/565384492.db2.gz CSGGDSZQVPZPAP-DZKIICNBSA-N 1 0 375.822 2.743 20 0 GFADRO Cc1cc(Br)cc(C(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)c1C ZINC000620474043 565384801 /nfs/dbraw/zinc/38/48/01/565384801.db2.gz CCZYFAIBBRJHRQ-MRXNPFEDSA-N 1 0 381.314 2.737 20 0 GFADRO C[C@H](C(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1)c1ccc(Br)cc1 ZINC000620481808 565386238 /nfs/dbraw/zinc/38/62/38/565386238.db2.gz XIJNUOZKDAYNJF-SUMWQHHRSA-N 1 0 381.314 2.610 20 0 GFADRO O=C(CCc1ccc(Br)cc1F)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000620483939 565386410 /nfs/dbraw/zinc/38/64/10/565386410.db2.gz GLUJAIWVEOOCNY-MRXNPFEDSA-N 1 0 399.304 2.578 20 0 GFADRO CC(C)(C(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1)c1cccc(Br)c1 ZINC000620483743 565386461 /nfs/dbraw/zinc/38/64/61/565386461.db2.gz ATWMAFSJIXHDJC-QGZVFWFLSA-N 1 0 395.341 2.784 20 0 GFADRO Cc1c(C[NH3+])c(NC(=O)c2cc3sc(N4CCCC4)nc3s2)nn1C ZINC000662835305 565387254 /nfs/dbraw/zinc/38/72/54/565387254.db2.gz IJPQPRAVTLQPTA-UHFFFAOYSA-N 1 0 376.511 2.711 20 0 GFADRO O=C(NC[C@@H]1CCN(c2ccccc2Cl)C1)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662846587 565387508 /nfs/dbraw/zinc/38/75/08/565387508.db2.gz OKFDVOFEWAXHFD-LRDDRELGSA-N 1 0 375.822 2.825 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)c(C)c1C(=O)N1CC2CC1(C[NH3+])C2 ZINC000662876528 565388013 /nfs/dbraw/zinc/38/80/13/565388013.db2.gz ZCMKPOXRMMTYNB-UHFFFAOYSA-N 1 0 389.297 2.815 20 0 GFADRO O=C(N1CCc2sc(Br)cc2C1)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662883796 565388531 /nfs/dbraw/zinc/38/85/31/565388531.db2.gz PCFANIVPIYHPTL-GFCCVEGCSA-N 1 0 383.233 2.937 20 0 GFADRO C[C@@H]1[C@@H](c2ccc(Br)cc2)OCCN1C(=O)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000662859642 565388598 /nfs/dbraw/zinc/38/85/98/565388598.db2.gz QRPMUKWEAKCMHG-BLBBIFAFSA-N 1 0 379.298 2.737 20 0 GFADRO C[C@H]1COCC[N@@H+]1C1CCN(c2nc(C3CC3)ncc2Br)CC1 ZINC000641654980 565391372 /nfs/dbraw/zinc/39/13/72/565391372.db2.gz VPYYDKJIBYCVOP-LBPRGKRZSA-N 1 0 381.318 2.806 20 0 GFADRO O=C(N[C@H]1CCC[N@H+](CCN2CCOCC2)C1)c1ccc(Cl)cc1Cl ZINC000641663597 565391475 /nfs/dbraw/zinc/39/14/75/565391475.db2.gz BXDPFQLGWKIPHX-HNNXBMFYSA-N 1 0 386.323 2.520 20 0 GFADRO Cc1nn(-c2cccc(Br)c2)cc1C[NH2+]CC1([S@@](C)=O)CC1 ZINC000594525754 565398441 /nfs/dbraw/zinc/39/84/41/565398441.db2.gz ZDQPTKYJGDUULE-JOCHJYFZSA-N 1 0 382.327 2.944 20 0 GFADRO C[NH+](C)C[C@H]1COC2(CCCC2)CN1C(=O)c1nscc1Br ZINC000620917930 565402081 /nfs/dbraw/zinc/40/20/81/565402081.db2.gz PLMFCICMOPKBOV-NSHDSACASA-N 1 0 388.331 2.621 20 0 GFADRO CCC[N@H+](CC)C[C@@H](C)NC(=O)N[C@H](CO)c1ccc(Br)cc1 ZINC000641943381 565402427 /nfs/dbraw/zinc/40/24/27/565402427.db2.gz QMLQAJBQEAFKGC-CZUORRHYSA-N 1 0 386.334 2.902 20 0 GFADRO COc1cc(C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)cc(OC)c1Br ZINC000594653143 565402624 /nfs/dbraw/zinc/40/26/24/565402624.db2.gz LXBPBTAQHLQPPH-ZDUSSCGKSA-N 1 0 383.286 2.680 20 0 GFADRO C[NH+](C)CCC[C@H]1CN(C(=O)Cc2ccc(Br)s2)CCO1 ZINC000620970594 565403245 /nfs/dbraw/zinc/40/32/45/565403245.db2.gz UBEZWAKZKORBEB-LBPRGKRZSA-N 1 0 375.332 2.622 20 0 GFADRO C[NH+](C)CCC[C@@H]1CN(C(=O)c2n[nH]c3ccc(Br)cc32)CCO1 ZINC000620969710 565403350 /nfs/dbraw/zinc/40/33/50/565403350.db2.gz HBIUXYAXTYRIRG-CYBMUJFWSA-N 1 0 395.301 2.508 20 0 GFADRO C[C@@H](NC(=O)C(=O)N1CCC(C)([NH3+])CC1)c1cc(F)c(Cl)cc1Cl ZINC000642096130 565405519 /nfs/dbraw/zinc/40/55/19/565405519.db2.gz DVKALVBNOUKQTJ-SECBINFHSA-N 1 0 376.259 2.650 20 0 GFADRO C[C@@]1(NS(=O)(=O)c2ccc(Br)c(Cl)c2Cl)CC[NH2+]C1 ZINC000663312486 565411626 /nfs/dbraw/zinc/41/16/26/565411626.db2.gz DCMOVZGLDQOFCN-LLVKDONJSA-N 1 0 388.114 2.786 20 0 GFADRO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)c1cc(Br)c[nH]c1=O ZINC000621249804 565411855 /nfs/dbraw/zinc/41/18/55/565411855.db2.gz CNPVKSHMNDUOLC-CYBMUJFWSA-N 1 0 380.242 2.710 20 0 GFADRO COc1cc(CN2CCC([C@@H]3NC(=O)C3(C)C)CC2)c(Br)cn1 ZINC000621298116 565416566 /nfs/dbraw/zinc/41/65/66/565416566.db2.gz JWAQEOMHAJTQJF-HNNXBMFYSA-N 1 0 382.302 2.589 20 0 GFADRO COc1cc(Cl)ccc1S(=O)(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000643096275 565421013 /nfs/dbraw/zinc/42/10/13/565421013.db2.gz CGKMQCLZDNSDOE-LSDHHAIUSA-N 1 0 384.860 2.603 20 0 GFADRO Cn1ncc2c1nc(N1CCC[C@@H]1Cc1ccccc1Br)nc2N ZINC000643192944 565423394 /nfs/dbraw/zinc/42/33/94/565423394.db2.gz VUMKKGFQGGYDMP-GFCCVEGCSA-N 1 0 387.285 2.920 20 0 GFADRO C[N@@H+]1CCCC[C@@H]1CN1CCN(c2nc(C3CC3)ncc2Br)CC1 ZINC000663575025 565427117 /nfs/dbraw/zinc/42/71/17/565427117.db2.gz JMZRVACEMRCXPQ-OAHLLOKOSA-N 1 0 394.361 2.723 20 0 GFADRO C[N@@H+]1CCCN(C(=O)NCC(F)(F)c2ccc(Br)cc2)CC1 ZINC000621554724 565429756 /nfs/dbraw/zinc/42/97/56/565429756.db2.gz XZGBNEIPCXAPBR-UHFFFAOYSA-N 1 0 376.245 2.888 20 0 GFADRO Brc1ccc2nnc(N3CC[C@@H](OCC[NH+]4CCCCC4)C3)n2c1 ZINC000663732670 565433231 /nfs/dbraw/zinc/43/32/31/565433231.db2.gz ZQVUHIPHUFQKGZ-OAHLLOKOSA-N 1 0 394.317 2.573 20 0 GFADRO [NH3+][C@H]1C[C@@H]2CN(C(=O)c3sc4cccc(Cl)c4c3Cl)CCN2C1=O ZINC000594876838 565433483 /nfs/dbraw/zinc/43/34/83/565433483.db2.gz CJXGSZXSJOHYGQ-SCZZXKLOSA-N 1 0 384.288 2.592 20 0 GFADRO C[C@@H]1CCN(C(=O)C2(c3ccc(Br)cc3)CCOCC2)C[C@H]1C[NH3+] ZINC000643604179 565435663 /nfs/dbraw/zinc/43/56/63/565435663.db2.gz VUGZHQUXBYRZAL-HUUCEWRRSA-N 1 0 395.341 2.941 20 0 GFADRO O=C(c1cc2c(cc1Br)OCO2)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000621664081 565436426 /nfs/dbraw/zinc/43/64/26/565436426.db2.gz KCNTZUHGMNOJNI-BXUZGUMPSA-N 1 0 381.270 2.782 20 0 GFADRO O=C(CNC(=O)N[C@H]1CC[N@H+](CC2CC2)C1)Nc1cc(Cl)ccc1Cl ZINC000594952869 565437025 /nfs/dbraw/zinc/43/70/25/565437025.db2.gz SWPQGUOGZFVIJH-ZDUSSCGKSA-N 1 0 385.295 2.715 20 0 GFADRO COC(=O)[C@@H]1C[C@H]1[C@H](C)[NH2+]CCc1cn2cc(Br)cc(C)c2n1 ZINC000594946609 565437231 /nfs/dbraw/zinc/43/72/31/565437231.db2.gz QLQUCBCHBLHDAY-TUKIKUTGSA-N 1 0 380.286 2.735 20 0 GFADRO [NH3+][C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCN(c3cc(Cl)ccc3Cl)C1=O)C2 ZINC000621688294 565437236 /nfs/dbraw/zinc/43/72/36/565437236.db2.gz SHGCTNQMTYZRDL-FNFWKMNBSA-N 1 0 382.291 2.686 20 0 GFADRO O=C(NCCc1cc(Cl)cc(Cl)c1)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000663831185 565438252 /nfs/dbraw/zinc/43/82/52/565438252.db2.gz PWGBGUWKJXHUNJ-KRWDZBQOSA-N 1 0 386.323 2.777 20 0 GFADRO COc1ccc(C[NH2+][C@@H]2CCC[C@@H]([S@@](C)=O)C2)c(Br)c1O ZINC000594959012 565438354 /nfs/dbraw/zinc/43/83/54/565438354.db2.gz BZOSHWDAGOLARD-JWCBKOKGSA-N 1 0 376.316 2.943 20 0 GFADRO C[S@](=O)[C@@H]1CCC[C@H]([NH2+]Cc2ncc(I)s2)C1 ZINC000594963084 565438667 /nfs/dbraw/zinc/43/86/67/565438667.db2.gz AYYDZKXMKHCRID-BTKFHORUSA-N 1 0 384.308 2.527 20 0 GFADRO CCn1cnnc1CC[NH2+][C@H]1CCc2ccc(I)cc21 ZINC000595019946 565443579 /nfs/dbraw/zinc/44/35/79/565443579.db2.gz SGFIUIKRECVVBZ-AWEZNQCLSA-N 1 0 382.249 2.722 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCc2ccc(I)cc21)[C@@H]1CN(C)CCO1 ZINC000595020913 565443731 /nfs/dbraw/zinc/44/37/31/565443731.db2.gz BGEPPDANPUQOJV-XZJROXQQSA-N 1 0 386.277 2.587 20 0 GFADRO COCCN1CC[C@@H]([NH2+][C@@H]2CCc3ccc(I)cc32)C1 ZINC000595020925 565443742 /nfs/dbraw/zinc/44/37/42/565443742.db2.gz VSMJHCXKPDCPAG-GDBMZVCRSA-N 1 0 386.277 2.589 20 0 GFADRO Cc1nc2n(n1)C[C@@H]([NH2+][C@@H]1CCc3ccc(I)cc31)CC2 ZINC000595038973 565444698 /nfs/dbraw/zinc/44/46/98/565444698.db2.gz PDQHXBRZIIJJHO-DZGCQCFKSA-N 1 0 394.260 2.783 20 0 GFADRO Cc1nc2n(n1)C[C@H]([NH2+][C@@H]1CCc3ccc(I)cc31)CC2 ZINC000595040839 565445017 /nfs/dbraw/zinc/44/50/17/565445017.db2.gz PDQHXBRZIIJJHO-UKRRQHHQSA-N 1 0 394.260 2.783 20 0 GFADRO Brc1ccc2ncnc(N3CCC[C@@H](N4CCOCC4)C3)c2c1 ZINC000663950518 565445323 /nfs/dbraw/zinc/44/53/23/565445323.db2.gz KUWKVDJOHPBGOW-CQSZACIVSA-N 1 0 377.286 2.693 20 0 GFADRO Fc1cc2ncnc(N3CCC[C@H](N4CCOCC4)C3)c2cc1Br ZINC000663952924 565445409 /nfs/dbraw/zinc/44/54/09/565445409.db2.gz XXZJXHKZXUFENU-LBPRGKRZSA-N 1 0 395.276 2.832 20 0 GFADRO O=C1C[C@H](C[NH2+][C@@H]2CCc3ccc(I)cc32)CN1C1CC1 ZINC000595044500 565446253 /nfs/dbraw/zinc/44/62/53/565446253.db2.gz BACMHORDBDPPPB-BDJLRTHQSA-N 1 0 396.272 2.879 20 0 GFADRO CN1CCO[C@H]([C@H]([NH2+][C@@H]2CCC[C@@H]([S@@](C)=O)C2)c2ccc(Cl)cc2)C1 ZINC000595070615 565446622 /nfs/dbraw/zinc/44/66/22/565446622.db2.gz NLRHSYYNTSSNOV-SYEQPEDASA-N 1 0 384.973 2.991 20 0 GFADRO CO[C@H](C[NH2+][C@H]1CCc2ccc(I)cc21)[C@H]1CCOC1 ZINC000595061132 565446793 /nfs/dbraw/zinc/44/67/93/565446793.db2.gz PJZGBSVRIVENLU-VBNZEHGJSA-N 1 0 387.261 2.920 20 0 GFADRO C[N@@H+]1CC[C@H](NC(=O)c2cc(Br)c[nH]c2=O)[C@H]1c1ccccc1 ZINC000621933996 565449580 /nfs/dbraw/zinc/44/95/80/565449580.db2.gz CLOVDRCTIPGJCP-LSDHHAIUSA-N 1 0 376.254 2.725 20 0 GFADRO C[C@@H]([NH2+]C[C@@H]1CNc2ccnn2C1)c1cc2c(cc1Br)OCCO2 ZINC000595144293 565450952 /nfs/dbraw/zinc/45/09/52/565450952.db2.gz BHORSLPILNSDGV-VXGBXAGGSA-N 1 0 393.285 2.809 20 0 GFADRO [NH3+][C@]12CCC[C@@H]1CN(S(=O)(=O)c1csc(-c3ccc(Cl)cc3)n1)C2 ZINC000622013875 565455066 /nfs/dbraw/zinc/45/50/66/565455066.db2.gz WRKMOTTWEXIAEL-WBMJQRKESA-N 1 0 383.926 2.965 20 0 GFADRO [NH3+][C@]12CCC[C@@H]1CN(S(=O)(=O)c1ccc(Cl)c(Br)c1)C2 ZINC000622014717 565455234 /nfs/dbraw/zinc/45/52/34/565455234.db2.gz JUPIETMIJBKHRR-RNCFNFMXSA-N 1 0 379.707 2.604 20 0 GFADRO CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)[C@H]1[NH2+]CC1(C)C ZINC000644008543 565455399 /nfs/dbraw/zinc/45/53/99/565455399.db2.gz CEWPNRGEUKWYEL-CYBMUJFWSA-N 1 0 377.794 2.754 20 0 GFADRO [NH3+][C@]12CCC[C@@H]1CN(S(=O)(=O)c1cccc(Br)c1Cl)C2 ZINC000622015384 565455444 /nfs/dbraw/zinc/45/54/44/565455444.db2.gz VLZMPCQQNWOOGI-RNCFNFMXSA-N 1 0 379.707 2.604 20 0 GFADRO O=C(NCC12CC(C1)C[NH2+]2)Nc1ccc(I)cc1Cl ZINC000595232500 565456974 /nfs/dbraw/zinc/45/69/74/565456974.db2.gz RPZBCKWZUYBTLU-UHFFFAOYSA-N 1 0 391.640 2.818 20 0 GFADRO CC1(C)C[NH2+]CCN1C(=O)CCc1nc(-c2cc(Br)cs2)no1 ZINC000644075688 565457783 /nfs/dbraw/zinc/45/77/83/565457783.db2.gz GHDRHHFHDFAVIN-UHFFFAOYSA-N 1 0 399.314 2.704 20 0 GFADRO O=C(C1=Cc2cc(Br)ccc2OC1)N(C1CC1)C1CC[NH2+]CC1 ZINC000644096041 565458709 /nfs/dbraw/zinc/45/87/09/565458709.db2.gz WOFXJLXHEAKAEP-UHFFFAOYSA-N 1 0 377.282 2.968 20 0 GFADRO FC(F)(CN[C@@H](C1CC1)[C@@H]1C[NH2+]CCO1)c1ccc(Br)cc1 ZINC000622044395 565459521 /nfs/dbraw/zinc/45/95/21/565459521.db2.gz DIOILPXWYUQQNA-GJZGRUSLSA-N 1 0 375.257 2.898 20 0 GFADRO COCC[C@H](Cc1cccc(Br)c1)C(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000644143702 565460418 /nfs/dbraw/zinc/46/04/18/565460418.db2.gz CLWIDPUHIFCXIR-NVXWUHKLSA-N 1 0 395.341 2.903 20 0 GFADRO C[NH2+]C[C@H](C)NC(=O)N1CCC[C@H]1c1ccc(I)cc1 ZINC000595275191 565460360 /nfs/dbraw/zinc/46/03/60/565460360.db2.gz IUMGARRXUSTCBU-FZMZJTMJSA-N 1 0 387.265 2.746 20 0 GFADRO O=C(c1cn(-c2ccc(Br)cc2)cn1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000644128569 565460464 /nfs/dbraw/zinc/46/04/64/565460464.db2.gz SNCLMUWQVOWOQM-SFHVURJKSA-N 1 0 389.297 2.851 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H](CNC(=O)c2ncc(Br)cc2Br)C1 ZINC000644136411 565460649 /nfs/dbraw/zinc/46/06/49/565460649.db2.gz XIVGZTBZVOLQFT-PSASIEDQSA-N 1 0 391.107 2.854 20 0 GFADRO COCCN(Cc1sccc1Br)C(=O)[C@@H]1C[NH2+]CCC1(F)F ZINC000644153982 565461635 /nfs/dbraw/zinc/46/16/35/565461635.db2.gz GNNJGRFBUMDZRN-JTQLQIEISA-N 1 0 397.285 2.730 20 0 GFADRO CC(C)OCC[C@H](O)C[NH2+]Cc1nnc2c(Cl)cc(C(F)(F)F)cn12 ZINC000644515350 565478790 /nfs/dbraw/zinc/47/87/90/565478790.db2.gz LUESGCYORAKPCB-NSHDSACASA-N 1 0 380.798 2.667 20 0 GFADRO CCOC(=O)c1c(C)n[nH]c1CN[C@@](C)(CO)c1ccc(Br)cc1 ZINC000595492791 565479160 /nfs/dbraw/zinc/47/91/60/565479160.db2.gz MVCUSHNOLSTZKN-KRWDZBQOSA-N 1 0 396.285 2.655 20 0 GFADRO CCCNC(=O)[C@@H]1CCC[N@H+](C[C@@H](O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000622911312 565483122 /nfs/dbraw/zinc/48/31/22/565483122.db2.gz LRRNKQFCCQUIHC-ZIAGYGMSSA-N 1 0 389.323 2.971 20 0 GFADRO CCCNC(=O)[C@H]1CCC[N@H+](C[C@@H](O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000622911311 565483203 /nfs/dbraw/zinc/48/32/03/565483203.db2.gz LRRNKQFCCQUIHC-UONOGXRCSA-N 1 0 389.323 2.971 20 0 GFADRO CSC1(CNC(=O)NCCc2nsc3ccccc23)CC[NH+](C)CC1 ZINC000595634167 565486036 /nfs/dbraw/zinc/48/60/36/565486036.db2.gz CQNCYHTXEUIUGK-UHFFFAOYSA-N 1 0 378.567 2.965 20 0 GFADRO Cn1ccnc1[C@H]([NH2+]C[C@@H](O)COc1ccc(Br)cc1)C1CC1 ZINC000644645686 565487818 /nfs/dbraw/zinc/48/78/18/565487818.db2.gz BZFHVWHRXBYRGC-GDBMZVCRSA-N 1 0 380.286 2.663 20 0 GFADRO NC(=O)[C@@]1(c2ccccc2)CC[N@H+](Cc2cn3cc(Br)ccc3n2)C1 ZINC000665129647 565491002 /nfs/dbraw/zinc/49/10/02/565491002.db2.gz LOZKYAJPPPHMED-IBGZPJMESA-N 1 0 399.292 2.726 20 0 GFADRO C[N@H+]1C[C@H]2[C@@H](CCN2Cc2nc(Cc3cccc(Br)c3)no2)C1 ZINC000644734082 565491361 /nfs/dbraw/zinc/49/13/61/565491361.db2.gz ZKLMOSAZGUPFEZ-ZFWWWQNUSA-N 1 0 377.286 2.559 20 0 GFADRO O=C(c1nc(C2CC2)ncc1Br)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000623060092 565492878 /nfs/dbraw/zinc/49/28/78/565492878.db2.gz DZZFEBANIHBFAC-OCCSQVGLSA-N 1 0 379.302 2.721 20 0 GFADRO COC(=O)[C@H](c1cccc(Cl)c1Cl)N(C)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000595848998 565493812 /nfs/dbraw/zinc/49/38/12/565493812.db2.gz LDFPXULZVPOCMI-LRDDRELGSA-N 1 0 375.296 2.594 20 0 GFADRO [NH3+]Cc1cc(=O)[nH]c(CN[C@H](c2ccc(Br)cc2F)C2CC2)n1 ZINC000665292469 565496282 /nfs/dbraw/zinc/49/62/82/565496282.db2.gz AMMKJQGAQVZVEZ-INIZCTEOSA-N 1 0 381.249 2.783 20 0 GFADRO COC(=O)c1cccc(Br)c1CN1CCO[C@H](CCC[NH+](C)C)C1 ZINC000595906754 565497710 /nfs/dbraw/zinc/49/77/10/565497710.db2.gz MZCPNZLLAOXYOK-CQSZACIVSA-N 1 0 399.329 2.778 20 0 GFADRO O=C(N[C@@H]1CC[NH2+]C12CCC2)N1CCc2ccc(F)c(Br)c2C1 ZINC000623180393 565498931 /nfs/dbraw/zinc/49/89/31/565498931.db2.gz BZPYKBQUMQSKDI-CQSZACIVSA-N 1 0 382.277 2.941 20 0 GFADRO CSCC[C@@H]([NH3+])C(=O)N1CCc2[nH]c3ccc(Br)cc3c2C1 ZINC000595970469 565503797 /nfs/dbraw/zinc/50/37/97/565503797.db2.gz WUELKMFVBOAWFQ-CYBMUJFWSA-N 1 0 382.327 2.896 20 0 GFADRO C[C@@]1(NC(=O)c2cc(I)cc(C(F)(F)F)c2)CC[NH2+]C1 ZINC000595990667 565504454 /nfs/dbraw/zinc/50/44/54/565504454.db2.gz BCRRDFCXMALYOT-GFCCVEGCSA-N 1 0 398.166 2.792 20 0 GFADRO C[C@@]1(NC(=O)CCCCc2ccc(I)cc2)CC[NH2+]C1 ZINC000595993683 565504873 /nfs/dbraw/zinc/50/48/73/565504873.db2.gz ZNNFUQHVIJVPMU-MRXNPFEDSA-N 1 0 386.277 2.872 20 0 GFADRO Cc1cc(C[NH2+]Cc2ccc(NS(C)(=O)=O)cc2)ncc1Br ZINC000623359973 565505471 /nfs/dbraw/zinc/50/54/71/565505471.db2.gz MADCFGPUUKPYTG-UHFFFAOYSA-N 1 0 384.299 2.814 20 0 GFADRO O=C(Cc1cscc1Br)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000645013006 565507616 /nfs/dbraw/zinc/50/76/16/565507616.db2.gz IUNCPLJMKZIXPO-CQSZACIVSA-N 1 0 387.343 2.766 20 0 GFADRO C[C@H]([NH2+]Cc1c[nH]nc1-c1ccc(Br)s1)[C@@H]1CN(C)CCO1 ZINC000623454643 565511879 /nfs/dbraw/zinc/51/18/79/565511879.db2.gz MVTLNHIJPJMGKP-JQWIXIFHSA-N 1 0 385.331 2.709 20 0 GFADRO C[C@H]([NH2+]Cc1c[nH]nc1-c1ccc(Br)s1)[C@H]1CN(C)CCO1 ZINC000623454642 565512279 /nfs/dbraw/zinc/51/22/79/565512279.db2.gz MVTLNHIJPJMGKP-CMPLNLGQSA-N 1 0 385.331 2.709 20 0 GFADRO CN(CC(=O)N1CC[NH2+]CC1)C(=O)c1sc2cccc(Cl)c2c1Cl ZINC000645130522 565513307 /nfs/dbraw/zinc/51/33/07/565513307.db2.gz GMUMXPUDZKATQI-UHFFFAOYSA-N 1 0 386.304 2.712 20 0 GFADRO CC[NH+](CC)[C@H](C)CNC(=O)NCc1cc(OC)c(O)cc1Br ZINC000645160678 565514789 /nfs/dbraw/zinc/51/47/89/565514789.db2.gz VEJMVFSONVKMOJ-LLVKDONJSA-N 1 0 388.306 2.693 20 0 GFADRO CCN1CCN(C(=O)[C@H](C)[NH2+][C@H](C)c2ccc(F)c(Br)c2)CC1 ZINC000645193247 565515608 /nfs/dbraw/zinc/51/56/08/565515608.db2.gz IFILDZUYTUDSBR-OLZOCXBDSA-N 1 0 386.309 2.791 20 0 GFADRO CCN1CCN(C(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc(F)c(Br)c2)CC1 ZINC000645193248 565515763 /nfs/dbraw/zinc/51/57/63/565515763.db2.gz IFILDZUYTUDSBR-QWHCGFSZSA-N 1 0 386.309 2.791 20 0 GFADRO Cc1cc(C[NH2+]C[C@H](N2CCOCC2)C(F)(F)F)ncc1Br ZINC000623523734 565516799 /nfs/dbraw/zinc/51/67/99/565516799.db2.gz MCWRSNPCJXZTGE-ZDUSSCGKSA-N 1 0 382.224 2.505 20 0 GFADRO Cc1cc(C[NH2+][C@@H]2C[C@@H](N3CCOCC3)C23CCC3)ncc1Br ZINC000623572634 565519055 /nfs/dbraw/zinc/51/90/55/565519055.db2.gz ILYSKPJVCLWNCP-IAGOWNOFSA-N 1 0 380.330 2.886 20 0 GFADRO OC[C@@]1([C@H]([NH2+]Cc2cn3cc(Br)ccc3n2)C2CC2)CCCO1 ZINC000645264715 565519271 /nfs/dbraw/zinc/51/92/71/565519271.db2.gz FQJAOWCHHQMSEZ-IAGOWNOFSA-N 1 0 380.286 2.507 20 0 GFADRO Cc1cccc(CC(=O)NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1Br ZINC000623638735 565522234 /nfs/dbraw/zinc/52/22/34/565522234.db2.gz QKJHHHNOIWALBD-GASCZTMLSA-N 1 0 383.330 2.916 20 0 GFADRO Cc1nn(C)c(C[NH2+]CC2(OCCO)CCC(F)(F)CC2)c1Br ZINC000623637666 565522270 /nfs/dbraw/zinc/52/22/70/565522270.db2.gz FGUFRHWLDMHKPL-UHFFFAOYSA-N 1 0 396.276 2.538 20 0 GFADRO COc1ccc(C[NH2+][C@]2(CO)CCc3cc(Br)ccc3C2)cn1 ZINC000623645294 565522979 /nfs/dbraw/zinc/52/29/79/565522979.db2.gz WLOFPTQISUTBSB-GOSISDBHSA-N 1 0 377.282 2.862 20 0 GFADRO O=S(=O)(C[C@H](O)C[NH2+][C@H]1CCc2cccc(Cl)c2C1)c1cccs1 ZINC000666112189 565523107 /nfs/dbraw/zinc/52/31/07/565523107.db2.gz IWDZXVFNOFZFOJ-UONOGXRCSA-N 1 0 385.938 2.683 20 0 GFADRO C[C@@H]([NH2+][C@@H](C)Cn1cc(Br)ccc1=O)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000666090282 565523214 /nfs/dbraw/zinc/52/32/14/565523214.db2.gz UQAKTEYIWCSVJY-WDEREUQCSA-N 1 0 391.269 2.932 20 0 GFADRO COc1cccc2c1OC[C@@H]([NH2+][C@@H](C)Cn1cc(Br)ccc1=O)C2 ZINC000666087349 565523431 /nfs/dbraw/zinc/52/34/31/565523431.db2.gz GFZZMPUKIDZRFU-WFASDCNBSA-N 1 0 393.281 2.601 20 0 GFADRO O=S(=O)(Cc1cc(Cl)ccc1Br)NCC[NH+]1CCCC1 ZINC000645441851 565525889 /nfs/dbraw/zinc/52/58/89/565525889.db2.gz FHVSRKHENAMHRZ-UHFFFAOYSA-N 1 0 381.723 2.618 20 0 GFADRO O=C(COC1CC[NH2+]CC1)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 ZINC000645435797 565526122 /nfs/dbraw/zinc/52/61/22/565526122.db2.gz BOAJEGUAHMORFJ-NXEZZACHSA-N 1 0 376.341 2.781 20 0 GFADRO CN1CCOC[C@@H]1C[NH2+]Cc1cnc(-c2ccc(Br)cc2)s1 ZINC000623711821 565527120 /nfs/dbraw/zinc/52/71/20/565527120.db2.gz PJCWZVNVABBZBT-AWEZNQCLSA-N 1 0 382.327 2.993 20 0 GFADRO Brc1ccc(C[NH2+]C[C@@H]2CN(Cc3ccncc3)CCO2)s1 ZINC000623780684 565530291 /nfs/dbraw/zinc/53/02/91/565530291.db2.gz UEFGQALWRGRFQL-CQSZACIVSA-N 1 0 382.327 2.896 20 0 GFADRO Brc1cc(C[NH2+]C[C@H]2CN(Cc3ccncc3)CCO2)cs1 ZINC000623780267 565530856 /nfs/dbraw/zinc/53/08/56/565530856.db2.gz FJXGWRBCACYJTR-HNNXBMFYSA-N 1 0 382.327 2.896 20 0 GFADRO O=C(Nc1cc(F)ccc1Br)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000666324733 565531369 /nfs/dbraw/zinc/53/13/69/565531369.db2.gz NFVBMJSEXLZUOC-ZDUSSCGKSA-N 1 0 386.265 2.651 20 0 GFADRO C[C@@H](C[NH+]1CCCCC1)NC(=O)[C@@H]1CCO[C@H]1c1cncc(Br)c1 ZINC000666318070 565531395 /nfs/dbraw/zinc/53/13/95/565531395.db2.gz VWXWPAOFPWJRQR-XKQJLSEDSA-N 1 0 396.329 2.912 20 0 GFADRO O=C1[C@H]([NH2+]CC2=Cc3cc(Br)ccc3OC2)CCN1C1CCC1 ZINC000623841435 565533253 /nfs/dbraw/zinc/53/32/53/565533253.db2.gz VKFQAFFBJJFYQC-MRXNPFEDSA-N 1 0 377.282 2.968 20 0 GFADRO C[NH+](C)[C@@H]1CCCN(S(=O)(=O)c2cc(Cl)ccc2OC(F)(F)F)C1 ZINC000645526700 565535072 /nfs/dbraw/zinc/53/50/72/565535072.db2.gz DYIWSCJIGAMGNU-LLVKDONJSA-N 1 0 386.823 2.953 20 0 GFADRO Cc1ccc(Br)c(NC(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)c1 ZINC000666468713 565539097 /nfs/dbraw/zinc/53/90/97/565539097.db2.gz CONVOZSAOCJXLC-CQSZACIVSA-N 1 0 382.302 2.820 20 0 GFADRO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@@H]1Cc2ccccc2CO1 ZINC000624055745 565541122 /nfs/dbraw/zinc/54/11/22/565541122.db2.gz OACJEQUOJUVJBK-GUYCJALGSA-N 1 0 377.282 2.730 20 0 GFADRO C[C@@H]([NH2+][C@H]1CCN(c2ccc3nncn3n2)C1)c1sccc1Br ZINC000624114889 565543635 /nfs/dbraw/zinc/54/36/35/565543635.db2.gz JNOLVZPYIWHKGI-MNOVXSKESA-N 1 0 393.314 2.878 20 0 GFADRO COc1ccc2c(c1)C[C@@H]([NH2+]Cc1cc(Br)cnc1OC)CO2 ZINC000624134080 565544211 /nfs/dbraw/zinc/54/42/11/565544211.db2.gz HSQZOZNYMKCYFF-CQSZACIVSA-N 1 0 379.254 2.955 20 0 GFADRO CC(C)[N@H+](C)CCNS(=O)(=O)Cc1ccc(Br)cc1Cl ZINC000645668024 565550107 /nfs/dbraw/zinc/55/01/07/565550107.db2.gz USXCXHSZKHOSDD-UHFFFAOYSA-N 1 0 383.739 2.862 20 0 GFADRO Cc1cc(Br)c(F)cc1S(=O)(=O)N1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000624352098 565552138 /nfs/dbraw/zinc/55/21/38/565552138.db2.gz ICFMNYFTHUPORI-MFKMUULPSA-N 1 0 379.295 2.787 20 0 GFADRO [NH3+]C[C@H]1CN(S(=O)(=O)Cc2cc(F)ccc2Cl)CC[C@H]1C(F)(F)F ZINC000624391696 565554578 /nfs/dbraw/zinc/55/45/78/565554578.db2.gz BJZWGXUDBGPOIR-CMPLNLGQSA-N 1 0 388.814 2.768 20 0 GFADRO C[N@@H+]1C[C@@H]2CCN(S(=O)(=O)Cc3ccc(Br)cc3Cl)[C@@H]2C1 ZINC000645724266 565555026 /nfs/dbraw/zinc/55/50/26/565555026.db2.gz NUQBMURITDUCCJ-IINYFYTJSA-N 1 0 393.734 2.568 20 0 GFADRO C[C@H]1CC[C@@H](NS(=O)(=O)Cc2ccc(Cl)cc2Br)C[NH2+]1 ZINC000624403975 565555370 /nfs/dbraw/zinc/55/53/70/565555370.db2.gz DWZNRRXHEACDAX-JOYOIKCWSA-N 1 0 381.723 2.662 20 0 GFADRO C[NH2+]CCOCCNS(=O)(=O)c1ccc(Oc2cccc(Cl)c2)cc1 ZINC000624395316 565555738 /nfs/dbraw/zinc/55/57/38/565555738.db2.gz RJHLLLUKNCBMHE-UHFFFAOYSA-N 1 0 384.885 2.647 20 0 GFADRO [NH3+]CCCOCCNS(=O)(=O)c1ccc(Oc2cccc(Cl)c2)cc1 ZINC000624407654 565555827 /nfs/dbraw/zinc/55/58/27/565555827.db2.gz LPANPJDELADOMT-UHFFFAOYSA-N 1 0 384.885 2.776 20 0 GFADRO CN1CCN(C(=O)Nc2ccc(Br)cc2C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000666894882 565562219 /nfs/dbraw/zinc/56/22/19/565562219.db2.gz BGQIDOOIFUREOE-JTQLQIEISA-N 1 0 395.223 2.575 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)c1cccc(F)c1I ZINC000597532872 565562706 /nfs/dbraw/zinc/56/27/06/565562706.db2.gz MWUKKRKXTJZDLW-VXGBXAGGSA-N 1 0 376.213 2.643 20 0 GFADRO Cc1c(Br)cccc1NC(=O)C(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000645818888 565565279 /nfs/dbraw/zinc/56/52/79/565565279.db2.gz SJUCKWOJYJLOPH-GOSISDBHSA-N 1 0 394.313 2.640 20 0 GFADRO O=C(NCC12CCC[NH+]1CCC2)c1ccc(F)c(I)c1 ZINC000597587045 565565382 /nfs/dbraw/zinc/56/53/82/565565382.db2.gz NHJKNPGNGWAUKR-UHFFFAOYSA-N 1 0 388.224 2.789 20 0 GFADRO C[NH+]1CCC2(CC1)CN(S(=O)(=O)Cc1ccc(Cl)cc1Cl)CCO2 ZINC000645856215 565568521 /nfs/dbraw/zinc/56/85/21/565568521.db2.gz QHMSBTMHRYCZCT-UHFFFAOYSA-N 1 0 393.336 2.620 20 0 GFADRO C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)c1cc(I)c(F)cc1F ZINC000597702239 565570946 /nfs/dbraw/zinc/57/09/46/565570946.db2.gz ZNFHYNCHTKIOCJ-ISVAXAHUSA-N 1 0 394.203 2.734 20 0 GFADRO C[NH+](C)CCn1nccc1NC(=O)N[C@@H](CO)c1cccc(Cl)c1Cl ZINC000667151471 565573535 /nfs/dbraw/zinc/57/35/35/565573535.db2.gz LRYSNGCUTUAALM-ZDUSSCGKSA-N 1 0 386.283 2.607 20 0 GFADRO Cc1cc(Br)c(CNC(=O)Nc2ccnn2CC[NH+](C)C)s1 ZINC000667152272 565573806 /nfs/dbraw/zinc/57/38/06/565573806.db2.gz JALGRTRZMYXANR-UHFFFAOYSA-N 1 0 386.319 2.899 20 0 GFADRO CN1CCOC[C@H]1CNC(=O)N1CCC[C@@H]1c1ccc(Br)s1 ZINC000624734514 565573859 /nfs/dbraw/zinc/57/38/59/565573859.db2.gz ZVMRWNKPCWRIFH-VXGBXAGGSA-N 1 0 388.331 2.688 20 0 GFADRO O=C(N[C@H]1CCN(c2ccc(Br)cc2)C1)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000645928336 565576923 /nfs/dbraw/zinc/57/69/23/565576923.db2.gz RHHJBBDFULZOKR-RYQLBKOJSA-N 1 0 392.341 2.780 20 0 GFADRO O=C(CC[N@@H+]1CCN2CC(F)(F)C[C@H]2C1)Nc1ccccc1Br ZINC000645937289 565577181 /nfs/dbraw/zinc/57/71/81/565577181.db2.gz IBHZUGJWMQAQNC-LBPRGKRZSA-N 1 0 388.256 2.803 20 0 GFADRO COc1cc(NC(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)cc(OC)c1Br ZINC000667324482 565581111 /nfs/dbraw/zinc/58/11/11/565581111.db2.gz OJZSZVMDXAPVGW-PWSUYJOCSA-N 1 0 384.274 2.682 20 0 GFADRO CCN(C(=O)c1ccc(I)cc1F)[C@@H]1CC[N@H+](C)C1 ZINC000597945975 565583439 /nfs/dbraw/zinc/58/34/39/565583439.db2.gz LMLUHXLQOZQWIM-LLVKDONJSA-N 1 0 376.213 2.597 20 0 GFADRO C[C@@H]1CC2(C[N@@H+]1Cc1cc(=O)n3cc(Br)ccc3n1)CCOCC2 ZINC000646098519 565586110 /nfs/dbraw/zinc/58/61/10/565586110.db2.gz FLMJDKMCRXAJBZ-CYBMUJFWSA-N 1 0 392.297 2.848 20 0 GFADRO C[C@H](CCNC(=O)CCC[S@](=O)c1ccc(Br)cc1)[NH+](C)C ZINC000597993673 565587008 /nfs/dbraw/zinc/58/70/08/565587008.db2.gz VJYMNYNOSWSFTK-DMZKTXOQSA-N 1 0 389.359 2.793 20 0 GFADRO C[NH+]1CCC2(CC1)CN(C(=O)Nc1ccc(Br)cc1F)CCO2 ZINC000646167337 565589310 /nfs/dbraw/zinc/58/93/10/565589310.db2.gz JYFUSKRWBANDQP-UHFFFAOYSA-N 1 0 386.265 2.917 20 0 GFADRO CCN(C(=O)c1ccc(F)c(I)c1)[C@@H]1CC[N@H+](CC)C1 ZINC000598038260 565589841 /nfs/dbraw/zinc/58/98/41/565589841.db2.gz BPFXIGHROGHFPZ-GFCCVEGCSA-N 1 0 390.240 2.987 20 0 GFADRO C[NH+]1CCC2(CC1)CN(C(=O)Nc1ccc(F)cc1Br)CCO2 ZINC000646227513 565592184 /nfs/dbraw/zinc/59/21/84/565592184.db2.gz DSGYRMLZCDVULN-UHFFFAOYSA-N 1 0 386.265 2.917 20 0 GFADRO CC1([NH3+])CCN(C(=O)C(=O)Nc2ccc(Br)c3ccccc23)CC1 ZINC000667513176 565592515 /nfs/dbraw/zinc/59/25/15/565592515.db2.gz CQGFDJDFSFATPM-UHFFFAOYSA-N 1 0 390.281 2.881 20 0 GFADRO O=C(Nc1cc(Cl)c(Cl)cc1Cl)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000667538382 565593489 /nfs/dbraw/zinc/59/34/89/565593489.db2.gz CQQCUXIOVBESBS-ISVAXAHUSA-N 1 0 376.671 2.796 20 0 GFADRO Cc1ncc(C[N@@H+]2CCC[C@H](C(=O)Nc3ccc(Br)cn3)C2)n1C ZINC000667531002 565593644 /nfs/dbraw/zinc/59/36/44/565593644.db2.gz SDMMPINMPYENHJ-ZDUSSCGKSA-N 1 0 392.301 2.737 20 0 GFADRO O=C(Nc1cccc(Br)c1)C(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000667637695 565598450 /nfs/dbraw/zinc/59/84/50/565598450.db2.gz BARYPBJRVFSDBU-UONOGXRCSA-N 1 0 394.313 2.626 20 0 GFADRO C[NH+](C)CCOCCNS(=O)(=O)c1cccc(Sc2ccccc2)c1 ZINC000625119348 565600204 /nfs/dbraw/zinc/60/02/04/565600204.db2.gz AIMRPPRZEYSGBE-UHFFFAOYSA-N 1 0 380.535 2.694 20 0 GFADRO O=C1Nc2ccc(Br)cc2CC[C@H]1N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000625131988 565601316 /nfs/dbraw/zinc/60/13/16/565601316.db2.gz QLVINJPOLYIMBJ-NVXWUHKLSA-N 1 0 378.314 2.873 20 0 GFADRO O=C([C@H]1CCc2nc[nH]c2C1)N1CCO[C@@H](c2cccc(Br)c2)C1 ZINC000667721648 565603146 /nfs/dbraw/zinc/60/31/46/565603146.db2.gz OVUSMQHIZBEGCH-SUMWQHHRSA-N 1 0 390.281 2.877 20 0 GFADRO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)c1cn(-c2ccc(Br)cc2)cn1 ZINC000646472116 565603464 /nfs/dbraw/zinc/60/34/64/565603464.db2.gz BDYBJVXQBRAUCS-MLGOLLRUSA-N 1 0 377.286 2.799 20 0 GFADRO C[C@H](C(=O)N1CCOC[C@H]1[C@@H]1CCC[N@@H+]1C)c1ccc(Br)s1 ZINC000646447198 565603992 /nfs/dbraw/zinc/60/39/92/565603992.db2.gz RIMBNFCBMSYBDX-AVGNSLFASA-N 1 0 387.343 2.936 20 0 GFADRO CN1CC[NH+](CC2CN(C(=O)c3csc(-c4ccc(Cl)s4)n3)C2)CC1 ZINC000646458368 565604224 /nfs/dbraw/zinc/60/42/24/565604224.db2.gz UUKHNQJTZMDUHA-UHFFFAOYSA-N 1 0 396.969 2.844 20 0 GFADRO CC(C)[C@@H]1CN(C(=O)c2cccc(F)c2I)CC[NH2+]1 ZINC000598576998 565627785 /nfs/dbraw/zinc/62/77/85/565627785.db2.gz ZISURUMBVIRFTF-LBPRGKRZSA-N 1 0 376.213 2.500 20 0 GFADRO Cc1ccc(Br)cc1CNC(=O)[C@]1([NH3+])[C@H]2CCCO[C@H]2C1(C)C ZINC000646519139 565604731 /nfs/dbraw/zinc/60/47/31/565604731.db2.gz HVVWVHQBXSRDRI-HDMKZQKVSA-N 1 0 381.314 2.906 20 0 GFADRO O=C(NCCc1ccc(Br)s1)Nc1cnc2c(c1)C[NH2+]CC2 ZINC000667792450 565604856 /nfs/dbraw/zinc/60/48/56/565604856.db2.gz ZKYAUKGXKANIGM-UHFFFAOYSA-N 1 0 381.299 2.916 20 0 GFADRO Cc1cccc(CC(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)c1Br ZINC000625281995 565616221 /nfs/dbraw/zinc/61/62/21/565616221.db2.gz VSVGPNJOPIEBDT-MRXNPFEDSA-N 1 0 383.330 2.869 20 0 GFADRO CCCN(C(=O)C(=O)Nc1nc(-c2cccs2)cs1)[C@H]1CC[N@H+](C)C1 ZINC000646765533 565617536 /nfs/dbraw/zinc/61/75/36/565617536.db2.gz DLRSUSCZIAMBMN-LBPRGKRZSA-N 1 0 378.523 2.753 20 0 GFADRO Cc1cc(C(=O)N2CCO[C@H]([C@H](C)[NH3+])C2)nn1-c1ccc(Cl)c(Cl)c1 ZINC000646844004 565622080 /nfs/dbraw/zinc/62/20/80/565622080.db2.gz NGMTXUOKCPCPJH-ZBEGNZNMSA-N 1 0 383.279 2.676 20 0 GFADRO COc1cc(NC(=O)NC[C@]2([NH+](C)C)CCSC2)ccc1OC(F)F ZINC000668053346 565626020 /nfs/dbraw/zinc/62/60/20/565626020.db2.gz RFMJNOYZRWXIIF-MRXNPFEDSA-N 1 0 375.441 2.855 20 0 GFADRO COCC[C@H](Cc1cccc(Br)c1)C(=O)N1CC[C@@H]2C[N@H+](C)C[C@@H]21 ZINC000646922404 565626946 /nfs/dbraw/zinc/62/69/46/565626946.db2.gz LZQMKQWIGICABE-NUJGCVRESA-N 1 0 395.341 2.807 20 0 GFADRO CC(C)[C@@H]1CN(C(=O)c2ccc(F)c(I)c2)CC[NH2+]1 ZINC000598575725 565627644 /nfs/dbraw/zinc/62/76/44/565627644.db2.gz WRGQFBSUJAMPAN-ZDUSSCGKSA-N 1 0 376.213 2.500 20 0 GFADRO C[N@@H+]1C[C@H]2CCN(C(=O)c3cc(Br)ccc3Br)[C@@H]2C1 ZINC000646940844 565627818 /nfs/dbraw/zinc/62/78/18/565627818.db2.gz OHDKXKPDTMXIOV-NOZJJQNGSA-N 1 0 388.103 2.988 20 0 GFADRO Cc1c(Br)cccc1CS(=O)(=O)NC[C@@H]1CCCC[N@@H+](C)C1 ZINC000625425576 565629305 /nfs/dbraw/zinc/62/93/05/565629305.db2.gz QVBYGMLYWGKOKR-AWEZNQCLSA-N 1 0 389.359 2.909 20 0 GFADRO C[N@@H+]1CCCC[C@H](CNS(=O)(=O)c2c(F)cccc2OC(F)(F)F)C1 ZINC000625424417 565629444 /nfs/dbraw/zinc/62/94/44/565629444.db2.gz JQGZLBQWUZAOMF-LLVKDONJSA-N 1 0 384.395 2.735 20 0 GFADRO CC[C@H]1CN(C(=O)c2cnn(-c3ccc(Br)cc3)c2)CC[C@H]1[NH3+] ZINC000647010551 565632237 /nfs/dbraw/zinc/63/22/37/565632237.db2.gz SQGYPEDKNQYSSO-BLLLJJGKSA-N 1 0 377.286 2.834 20 0 GFADRO Cc1cc(COc2ccc(C(=O)N[C@@H](C)[C@H](C)[NH3+])cc2Br)no1 ZINC000647067999 565635508 /nfs/dbraw/zinc/63/55/08/565635508.db2.gz IXSVRRVCUZPVAA-QWRGUYRKSA-N 1 0 382.258 2.790 20 0 GFADRO Cc1c(Br)cc(S(C)(=O)=O)cc1-c1nc([C@H]2CCC[NH2+]2)no1 ZINC000647147169 565642148 /nfs/dbraw/zinc/64/21/48/565642148.db2.gz MBKKERYUFACGBW-GFCCVEGCSA-N 1 0 386.271 2.636 20 0 GFADRO O=C(c1cc(Br)cc2c1OCCO2)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000668422511 565645933 /nfs/dbraw/zinc/64/59/33/565645933.db2.gz BFQPNWIIRRHHTO-CQSZACIVSA-N 1 0 395.297 2.921 20 0 GFADRO OC[C@H]([NH2+]Cc1cc(OC(F)F)ccc1Br)[C@H]1CCCOC1 ZINC000647218124 565647609 /nfs/dbraw/zinc/64/76/09/565647609.db2.gz WSFBCSDDOWQHLB-HZMBPMFUSA-N 1 0 380.229 2.928 20 0 GFADRO O=S(=O)(Cc1cccc(Br)c1)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000647238908 565648269 /nfs/dbraw/zinc/64/82/69/565648269.db2.gz YDEDBTCAHBLXIW-GDBMZVCRSA-N 1 0 387.343 2.743 20 0 GFADRO O=S(=O)(c1ccc2cc(Br)ccc2c1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000647263997 565650619 /nfs/dbraw/zinc/65/06/19/565650619.db2.gz LQIHPTPKPCNLTP-YVEFUNNKSA-N 1 0 395.322 2.975 20 0 GFADRO CO[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+][C@H]1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000668506265 565651311 /nfs/dbraw/zinc/65/13/11/565651311.db2.gz IMIIQGRDJRTLAB-SYAUCNOPSA-N 1 0 377.428 2.743 20 0 GFADRO FC(F)Oc1ccc(CN2CC[NH+]([C@@H]3CCOC3)CC2)cc1Br ZINC000668536601 565652250 /nfs/dbraw/zinc/65/22/50/565652250.db2.gz YNDYASLCMSMYOC-CYBMUJFWSA-N 1 0 391.256 2.957 20 0 GFADRO Brc1cccc2c(CN3CC[NH+]([C@H]4CCOC4)CC3)ccnc12 ZINC000668536308 565652520 /nfs/dbraw/zinc/65/25/20/565652520.db2.gz SAHLEYHDBAYZTG-HNNXBMFYSA-N 1 0 376.298 2.904 20 0 GFADRO CCOc1cc(CN2CC[NH+]([C@@H]3CCOC3)CC2)cc(Br)c1OC ZINC000668538032 565652632 /nfs/dbraw/zinc/65/26/32/565652632.db2.gz TXRNBCSMUZFUHI-OAHLLOKOSA-N 1 0 399.329 2.763 20 0 GFADRO C[C@H]1C[NH+](Cc2ccc(Br)cc2N2CCOCC2)C[C@H](C)C1O ZINC000668554697 565653458 /nfs/dbraw/zinc/65/34/58/565653458.db2.gz RKFGFZNHMXTFRQ-KBPBESRZSA-N 1 0 383.330 2.734 20 0 GFADRO C[NH2+][C@H]1CCCN(S(=O)(=O)c2ccc3ccccc3c2Br)C1 ZINC000647278173 565653797 /nfs/dbraw/zinc/65/37/97/565653797.db2.gz IPNUNXBTJVQTEP-ZDUSSCGKSA-N 1 0 383.311 2.975 20 0 GFADRO O=C1CC[C@H]2C[N@H+](Cc3cnn(-c4ccc(Br)cc4)c3)CC[C@@H]2N1 ZINC000668542155 565654194 /nfs/dbraw/zinc/65/41/94/565654194.db2.gz NZYPDWWUISLWEL-YOEHRIQHSA-N 1 0 389.297 2.735 20 0 GFADRO O=S(=O)(c1ccc(Br)s1)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647306995 565654946 /nfs/dbraw/zinc/65/49/46/565654946.db2.gz ONPFVUJXOIGHRK-VXGBXAGGSA-N 1 0 393.372 2.911 20 0 GFADRO CC[C@@H]([NH2+][C@@H](CO)c1ccnn1C)c1ccc(I)cc1 ZINC000599055737 565655396 /nfs/dbraw/zinc/65/53/96/565655396.db2.gz POHOTELUVAVBIQ-KGLIPLIRSA-N 1 0 385.249 2.799 20 0 GFADRO COCC1(CNS(=O)(=O)c2c(C)sc3c2cccc3C)CC[NH2+]CC1 ZINC000647294507 565655819 /nfs/dbraw/zinc/65/58/19/565655819.db2.gz FKCNOMJOGIYVDA-UHFFFAOYSA-N 1 0 382.551 2.813 20 0 GFADRO COCc1cc(Cl)cc(S(=O)(=O)N2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000647307974 565656378 /nfs/dbraw/zinc/65/63/78/565656378.db2.gz HYYGRUXVSVWBDE-HOTGVXAUSA-N 1 0 386.945 2.887 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H](CNS(=O)(=O)c2ccc(Br)c(Cl)c2)C1 ZINC000647316509 565656429 /nfs/dbraw/zinc/65/64/29/565656429.db2.gz NQTIVPHPYSFUSK-NXEZZACHSA-N 1 0 381.723 2.898 20 0 GFADRO Cc1cc(Br)cc(C)c1S(=O)(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000647321293 565656521 /nfs/dbraw/zinc/65/65/21/565656521.db2.gz HJCRWWJCBWQENV-CQSZACIVSA-N 1 0 375.332 2.876 20 0 GFADRO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]C[C@@H]2CSc3ccccc3O2)cc1 ZINC000647314040 565656625 /nfs/dbraw/zinc/65/66/25/565656625.db2.gz INCCNBMJINRUGK-UKRRQHHQSA-N 1 0 378.519 2.799 20 0 GFADRO C[C@@H](C[NH2+][C@@H](C)c1cccc(S(=O)(=O)N2CCOCC2)c1)CC(F)F ZINC000647318172 565656803 /nfs/dbraw/zinc/65/68/03/565656803.db2.gz HXYBDMAWEGMWFQ-KGLIPLIRSA-N 1 0 376.469 2.649 20 0 GFADRO [NH3+]C[C@@H]1c2ccccc2CCN1S(=O)(=O)C1CCC(C(F)(F)F)CC1 ZINC000647337352 565657925 /nfs/dbraw/zinc/65/79/25/565657925.db2.gz OEAWMPIUMCRGLY-ZBCRRDGASA-N 1 0 376.444 2.995 20 0 GFADRO CC[NH+]1CCN([C@@H](C)CNC(=O)c2c(Cl)cccc2Br)CC1 ZINC000668674149 565660937 /nfs/dbraw/zinc/66/09/37/565660937.db2.gz HEIULVFXAXJQDQ-LBPRGKRZSA-N 1 0 388.737 2.858 20 0 GFADRO C[NH+](C)CC1CCN(C(=O)c2cc(Br)cc3c2OCCO3)CC1 ZINC000668678993 565660976 /nfs/dbraw/zinc/66/09/76/565660976.db2.gz WKRICJLAEVIGQE-UHFFFAOYSA-N 1 0 383.286 2.634 20 0 GFADRO CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2CCSc3ccc(Cl)cc32)C1 ZINC000668706945 565661864 /nfs/dbraw/zinc/66/18/64/565661864.db2.gz AAVXXQHDEIVWIS-DZGCQCFKSA-N 1 0 381.929 2.594 20 0 GFADRO CCN(C(=O)C(=O)N[C@H]1CCSc2ccc(Cl)cc21)[C@@H]1CC[N@H+](C)C1 ZINC000668708144 565661934 /nfs/dbraw/zinc/66/19/34/565661934.db2.gz TWOOKOITZWXDGX-HIFRSBDPSA-N 1 0 381.929 2.546 20 0 GFADRO CC[C@H](O)CCC[NH2+]C[C@H](O)COc1ccc(Cl)cc1Br ZINC000647528886 565662502 /nfs/dbraw/zinc/66/25/02/565662502.db2.gz NESWRKHVVDUKDJ-STQMWFEESA-N 1 0 380.710 2.983 20 0 GFADRO CC[C@H](C)C[C@H](CO)[NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000647525057 565662632 /nfs/dbraw/zinc/66/26/32/565662632.db2.gz UZKSXMNNFRLCFJ-NILFDRSVSA-N 1 0 378.282 2.715 20 0 GFADRO OC[C@H](Cc1ccc(O)cc1)[NH2+]C[C@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000647520042 565662680 /nfs/dbraw/zinc/66/26/80/565662680.db2.gz OACLYVKLIUUUHN-ZFWWWQNUSA-N 1 0 386.275 2.632 20 0 GFADRO O=C(Nc1ccc(Br)cc1-c1nc(C2CC2)no1)N[C@@H]1CC[NH2+]C1 ZINC000625865828 565663747 /nfs/dbraw/zinc/66/37/47/565663747.db2.gz GOGUAPLKSORANJ-LLVKDONJSA-N 1 0 392.257 2.860 20 0 GFADRO C[NH2+]CCOCCNC(=O)Nc1cc(Br)cc(C(F)(F)F)c1 ZINC000625864870 565663921 /nfs/dbraw/zinc/66/39/21/565663921.db2.gz ORLPWWLKBREVQZ-UHFFFAOYSA-N 1 0 384.196 2.825 20 0 GFADRO CCN(C(=O)C(=O)NC[C@H](C)c1c(Cl)cccc1Cl)[C@H]1CC[N@H+](C)C1 ZINC000668781283 565666315 /nfs/dbraw/zinc/66/63/15/565666315.db2.gz ONEQBDMMPHPYHK-STQMWFEESA-N 1 0 386.323 2.766 20 0 GFADRO C[N@@H+]1CCCC[C@H]1C(=O)N1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000599306144 565668343 /nfs/dbraw/zinc/66/83/43/565668343.db2.gz TZXHSSNWEKOMIU-INIZCTEOSA-N 1 0 384.307 2.762 20 0 GFADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)c1cc(Br)cc2[nH]c(=O)[nH]c21 ZINC000668829504 565668435 /nfs/dbraw/zinc/66/84/35/565668435.db2.gz NHPZFOXDQPRCNF-NSHDSACASA-N 1 0 381.274 2.635 20 0 GFADRO Cc1cc(Br)ccc1[C@H]1CCC[N@@H+]1C[C@@H](O)CN1CCOCC1 ZINC000626009625 565669759 /nfs/dbraw/zinc/66/97/59/565669759.db2.gz NJSRKIPEDZBOHH-FUHWJXTLSA-N 1 0 383.330 2.588 20 0 GFADRO O=C(Cc1ccc(Br)c(F)c1)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000647666176 565670841 /nfs/dbraw/zinc/67/08/41/565670841.db2.gz GHGCZGHTKLVGMJ-HNNXBMFYSA-N 1 0 399.304 2.844 20 0 GFADRO CCO[C@@H](CC[NH+](C)C)CNC(=O)c1cc(C)cc(Br)c1F ZINC000626040450 565672660 /nfs/dbraw/zinc/67/26/60/565672660.db2.gz FPKDGQKZMSCZPQ-LBPRGKRZSA-N 1 0 375.282 2.983 20 0 GFADRO C[N@@H+]1CCC[C@@H]1[C@H]1COCCN1C(=O)CCOc1ccccc1Br ZINC000647822951 565678522 /nfs/dbraw/zinc/67/85/22/565678522.db2.gz ASGYCUNMBXKOHR-HZPDHXFCSA-N 1 0 397.313 2.540 20 0 GFADRO O=S(=O)(c1ccc(Cl)s1)N1CCN(c2[nH+]ccc3[nH]ccc32)CC1 ZINC000647853753 565679775 /nfs/dbraw/zinc/67/97/75/565679775.db2.gz HYVNIPMVTXHRAX-UHFFFAOYSA-N 1 0 382.898 2.789 20 0 GFADRO CN(CC(=O)Nc1ccc(Br)c(C(F)(F)F)c1)[C@@H]1CC[NH2+]C1 ZINC000647837997 565679962 /nfs/dbraw/zinc/67/99/62/565679962.db2.gz WWQMXPICORQIGM-SNVBAGLBSA-N 1 0 380.208 2.700 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)[C@@H]2CCO[C@H]2c2cncc(Br)c2)CC[N@@H+]1C ZINC000669184385 565681625 /nfs/dbraw/zinc/68/16/25/565681625.db2.gz YRHIRJAAFVGKOT-CAPXZKIUSA-N 1 0 382.302 2.521 20 0 GFADRO CNS(=O)(=O)C[C@@H]1CCC[N@H+](Cc2cc(-c3ccc(Cl)cc3)no2)C1 ZINC000626169211 565681743 /nfs/dbraw/zinc/68/17/43/565681743.db2.gz IDCWFGPKRNNRKG-CYBMUJFWSA-N 1 0 383.901 2.756 20 0 GFADRO COCC1([NH2+]CC(=O)N[C@H](C)c2ccc(Cl)cc2Cl)CCOCC1 ZINC000647951887 565684917 /nfs/dbraw/zinc/68/49/17/565684917.db2.gz CDKGWLDZFISOCP-GFCCVEGCSA-N 1 0 375.296 2.956 20 0 GFADRO Cc1cc(Br)c(F)c(C(=O)N2CCC([N@H+](C)CCCO)CC2)c1 ZINC000626280197 565686066 /nfs/dbraw/zinc/68/60/66/565686066.db2.gz QBBAPHBYOHDYCO-UHFFFAOYSA-N 1 0 387.293 2.815 20 0 GFADRO CCOC(=O)C[C@H](O)C[N@@H+]1CC[C@H](Sc2ccc(Br)cc2)C1 ZINC000599526188 565686799 /nfs/dbraw/zinc/68/67/99/565686799.db2.gz GRUYQUVUOSTGBS-ZFWWWQNUSA-N 1 0 388.327 2.930 20 0 GFADRO [NH3+]Cc1ccc(C(=O)NC2(c3cccc(Br)c3)CCOCC2)o1 ZINC000648016955 565687145 /nfs/dbraw/zinc/68/71/45/565687145.db2.gz TWIQNGPFRBMZKJ-UHFFFAOYSA-N 1 0 379.254 2.937 20 0 GFADRO CCOC(=O)CCCC[NH2+][C@@]1(CO)CCc2cc(Br)ccc2C1 ZINC000599572653 565689039 /nfs/dbraw/zinc/68/90/39/565689039.db2.gz DMEHMKAFCIDMTM-SFHVURJKSA-N 1 0 384.314 2.992 20 0 GFADRO CCOc1cc(CN2CCOC3(CC[NH+](C)CC3)C2)cc(Br)c1O ZINC000648072067 565690252 /nfs/dbraw/zinc/69/02/52/565690252.db2.gz KCIFTRIKNCAYOL-UHFFFAOYSA-N 1 0 399.329 2.850 20 0 GFADRO C[C@H](CNC(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1)Oc1ccccc1Br ZINC000669518115 565691045 /nfs/dbraw/zinc/69/10/45/565691045.db2.gz JPBDTXJROUIKQI-IPYPFGDCSA-N 1 0 382.302 2.610 20 0 GFADRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)Nc1cc(Br)c(F)c(C(=O)OC)c1 ZINC000599607345 565692288 /nfs/dbraw/zinc/69/22/88/565692288.db2.gz WTXRFBAXLWDFSR-NWDGAFQWSA-N 1 0 388.237 2.637 20 0 GFADRO [NH3+]C[C@H]1CCCC[C@H]1NC(=O)NCc1cc(Br)cc2c1OCC2 ZINC000669561185 565692381 /nfs/dbraw/zinc/69/23/81/565692381.db2.gz VKVIRDBHRJMAKU-IUODEOHRSA-N 1 0 382.302 2.701 20 0 GFADRO CC[C@H]1CN(C(=O)NCc2cn3cc(Br)cc(C)c3n2)CC[C@H]1[NH3+] ZINC000669559432 565692518 /nfs/dbraw/zinc/69/25/18/565692518.db2.gz ZZUGYOFJVGSFAS-SWLSCSKDSA-N 1 0 394.317 2.674 20 0 GFADRO COC(=O)c1cc(F)c(Br)cc1NC(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000599606967 565692532 /nfs/dbraw/zinc/69/25/32/565692532.db2.gz SHLSTVYESLKXJV-IUCAKERBSA-N 1 0 388.237 2.637 20 0 GFADRO CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)NC[C@H]1CCCC[NH2+]1 ZINC000669551723 565692764 /nfs/dbraw/zinc/69/27/64/565692764.db2.gz GSUPTKDMFZRNEZ-MAZHCROVSA-N 1 0 384.318 2.966 20 0 GFADRO COc1cc(Br)ccc1[C@H](C)NC(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000669567882 565693416 /nfs/dbraw/zinc/69/34/16/565693416.db2.gz WKUVYTUKOACANH-SLEUVZQESA-N 1 0 382.302 2.912 20 0 GFADRO Cc1cc(Br)cc(C)c1N1CCC[C@@H](NC(=O)NC[C@H](C)[NH3+])C1 ZINC000669584715 565694370 /nfs/dbraw/zinc/69/43/70/565694370.db2.gz IBSCIDIPPVIZHF-DZGCQCFKSA-N 1 0 383.334 2.681 20 0 GFADRO O=C(NCCc1c[nH]c2cccc(Br)c12)NC[C@@H]1CCCC[NH2+]1 ZINC000669588498 565694695 /nfs/dbraw/zinc/69/46/95/565694695.db2.gz PQGRKRODRQGRJD-ZDUSSCGKSA-N 1 0 379.302 2.914 20 0 GFADRO Cc1cc(Br)c(F)c(C(=O)N[C@@H](C)CC[NH+]2CCN(C)CC2)c1 ZINC000626495100 565695636 /nfs/dbraw/zinc/69/56/36/565695636.db2.gz KAKKLRCOXIQGJZ-ZDUSSCGKSA-N 1 0 386.309 2.652 20 0 GFADRO Cc1ccc(C(=O)N2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)c(Cl)c1Cl ZINC000648245357 565696548 /nfs/dbraw/zinc/69/65/48/565696548.db2.gz ISMMGNKSQOKACO-CQSZACIVSA-N 1 0 384.307 2.856 20 0 GFADRO O=C(N[C@H]1COc2cc(F)c(Br)cc21)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000669649682 565696596 /nfs/dbraw/zinc/69/65/96/565696596.db2.gz MCFRRDRRORYBFP-NHYWBVRUSA-N 1 0 398.276 2.805 20 0 GFADRO C[C@H]([NH2+][C@@H](C)c1ccsc1)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC000669828066 565703740 /nfs/dbraw/zinc/70/37/40/565703740.db2.gz BAZIDQZSWDTCGP-STQMWFEESA-N 1 0 381.523 2.676 20 0 GFADRO CSC1(CNC(=O)c2ncsc2Nc2cccnc2)CC[NH+](C)CC1 ZINC000599959318 565708332 /nfs/dbraw/zinc/70/83/32/565708332.db2.gz GIYDHSLTDCMEPB-UHFFFAOYSA-N 1 0 377.539 2.839 20 0 GFADRO C[C@H]1C[C@H]([NH2+]Cc2cc(F)cc(Br)c2)C(=O)N1c1cnn(C)c1 ZINC000648464227 565715421 /nfs/dbraw/zinc/71/54/21/565715421.db2.gz OLPKKECYFMSJAA-BONVTDFDSA-N 1 0 381.249 2.605 20 0 GFADRO O=C(N[C@H]1CC[NH2+]C12CCC2)N[C@H]1CCOc2ccc(Br)cc21 ZINC000626946959 565716195 /nfs/dbraw/zinc/71/61/95/565716195.db2.gz GPIMEONZQHLWKB-ZFWWWQNUSA-N 1 0 380.286 2.857 20 0 GFADRO O=C1CCCN1C[C@@H](O)C[NH2+][C@@H]1CCCCc2cc(Br)ccc21 ZINC000670155060 565716455 /nfs/dbraw/zinc/71/64/55/565716455.db2.gz HKMBRTQDZYOZJY-DOTOQJQBSA-N 1 0 381.314 2.790 20 0 GFADRO CC(C)c1nc(CCNC(=O)N2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cs1 ZINC000626967342 565717028 /nfs/dbraw/zinc/71/70/28/565717028.db2.gz XAQDPGGNYYHHNB-AAEUAGOBSA-N 1 0 378.464 2.978 20 0 GFADRO CCSc1cc(CNC(=O)N2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)ccn1 ZINC000627016608 565719867 /nfs/dbraw/zinc/71/98/67/565719867.db2.gz QLCLKZCHZBWXLV-QWHCGFSZSA-N 1 0 376.448 2.862 20 0 GFADRO O=C(c1c(F)cccc1Br)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000670389808 565721607 /nfs/dbraw/zinc/72/16/07/565721607.db2.gz NEMJAWCMVPKVKB-CYBMUJFWSA-N 1 0 385.277 2.915 20 0 GFADRO O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)N1CC[C@@H](Sc2ccc(Br)cc2)C1 ZINC000627094602 565721978 /nfs/dbraw/zinc/72/19/78/565721978.db2.gz GTYFYOQRFNSFEA-KBXIAJHMSA-N 1 0 382.327 2.543 20 0 GFADRO C[NH+](C)C1CC(NC(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)C1 ZINC000670401338 565722070 /nfs/dbraw/zinc/72/20/70/565722070.db2.gz CDWJJWQQIHCMFL-ZUEPYMLJSA-N 1 0 384.307 2.807 20 0 GFADRO C[NH2+]CCOCCNC(=O)N1CCC(c2ccc(Br)cc2)CC1 ZINC000627173336 565724542 /nfs/dbraw/zinc/72/45/42/565724542.db2.gz VGDJEXZADXNKRF-UHFFFAOYSA-N 1 0 384.318 2.574 20 0 GFADRO C[NH2+]CCOCCNC(=O)N1CCC[C@@H]1c1ccc(Br)s1 ZINC000627175365 565724713 /nfs/dbraw/zinc/72/47/13/565724713.db2.gz XRIMWTLJMLSDNF-LLVKDONJSA-N 1 0 376.320 2.593 20 0 GFADRO CC(C)[C@@H]1C[NH2+]CCN1C(=O)NCc1ccc(Br)c(F)c1F ZINC000627181671 565725237 /nfs/dbraw/zinc/72/52/37/565725237.db2.gz VYPOEWXDXZNORK-LBPRGKRZSA-N 1 0 376.245 2.867 20 0 GFADRO C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)NCCc1ccc(Cl)cc1Cl ZINC000670494759 565725418 /nfs/dbraw/zinc/72/54/18/565725418.db2.gz LMZNBLWZRBRDKB-CYBMUJFWSA-N 1 0 386.323 2.643 20 0 GFADRO C[C@@H](CC(=O)N[C@H](Cc1ccccc1)C[NH+](C)C)n1cc(Br)cn1 ZINC000648743252 565726421 /nfs/dbraw/zinc/72/64/21/565726421.db2.gz SUYWURYCJNVMTL-WMLDXEAASA-N 1 0 393.329 2.886 20 0 GFADRO Cc1cc([C@H]2CCCN2C(=O)NCCOCCC[NH3+])ccc1Br ZINC000627217689 565727468 /nfs/dbraw/zinc/72/74/68/565727468.db2.gz SGVATTYDODKYKP-MRXNPFEDSA-N 1 0 384.318 2.969 20 0 GFADRO C[C@@H]1[C@H](C(=O)Nc2ccnn2Cc2ccc(Br)cc2)CC[N@@H+]1C ZINC000648764134 565727575 /nfs/dbraw/zinc/72/75/75/565727575.db2.gz ZVXWPWLYDJOOKH-IUODEOHRSA-N 1 0 377.286 2.973 20 0 GFADRO O=C(c1sc2ccccc2c1Br)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000627267327 565730498 /nfs/dbraw/zinc/73/04/98/565730498.db2.gz MPGISGYRFHZYRN-VXGBXAGGSA-N 1 0 395.322 2.945 20 0 GFADRO O=C(c1cccc2cccc(Br)c21)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000627268009 565730698 /nfs/dbraw/zinc/73/06/98/565730698.db2.gz VXNATTLOMGPIDE-CABCVRRESA-N 1 0 389.293 2.883 20 0 GFADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2c3ccc(Br)cc3nn2C)C1 ZINC000648802763 565731352 /nfs/dbraw/zinc/73/13/52/565731352.db2.gz IOTWYIZNNZXJLE-LBPRGKRZSA-N 1 0 379.302 2.750 20 0 GFADRO COC(=O)c1cc(Br)cc(C(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)c1 ZINC000600471287 565731569 /nfs/dbraw/zinc/73/15/69/565731569.db2.gz RIECCQHQEMHHDP-MRXNPFEDSA-N 1 0 395.297 2.982 20 0 GFADRO C[C@@H]1CC[C@@H](NC(=O)C(=O)NCC(C)(C)c2ccc(Cl)c(Cl)c2)C[NH2+]1 ZINC000627353274 565733994 /nfs/dbraw/zinc/73/39/94/565733994.db2.gz XQKNSSVCJVQUGH-DGCLKSJQSA-N 1 0 386.323 2.644 20 0 GFADRO C[C@H](NC(=O)C(=O)N[C@H]1CCC[N@H+](C)C1)c1cc(F)c(Cl)cc1Cl ZINC000670621835 565735228 /nfs/dbraw/zinc/73/52/28/565735228.db2.gz LZKFOAJAMKORHO-UWVGGRQHSA-N 1 0 376.259 2.520 20 0 GFADRO COCCN(Cc1cc(Br)cs1)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000648879299 565736181 /nfs/dbraw/zinc/73/61/81/565736181.db2.gz FCDMFSIPIGVAOQ-BXUZGUMPSA-N 1 0 375.332 2.826 20 0 GFADRO COc1cc(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc(Br)c1OC ZINC000670772682 565737570 /nfs/dbraw/zinc/73/75/70/565737570.db2.gz WYGDZQILQCKGHO-CHWSQXEVSA-N 1 0 383.286 2.823 20 0 GFADRO COc1cc(C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)cc(Br)c1OC ZINC000670772685 565737775 /nfs/dbraw/zinc/73/77/75/565737775.db2.gz WYGDZQILQCKGHO-STQMWFEESA-N 1 0 383.286 2.823 20 0 GFADRO CCCN(C(=O)Cc1cc2c(cc1Br)OCCO2)[C@@H]1CC[N@H+](C)C1 ZINC000649004342 565744281 /nfs/dbraw/zinc/74/42/81/565744281.db2.gz YYGAFKOYXFTTIB-CQSZACIVSA-N 1 0 397.313 2.706 20 0 GFADRO CCN(C(=O)Cc1cc2c(cc1Br)OCCO2)C1CC[NH+](C)CC1 ZINC000627620940 565744343 /nfs/dbraw/zinc/74/43/43/565744343.db2.gz UZGCGJHVFXIYMB-UHFFFAOYSA-N 1 0 397.313 2.706 20 0 GFADRO COCC[C@@H](Cc1cccc(Br)c1)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000627651299 565745066 /nfs/dbraw/zinc/74/50/66/565745066.db2.gz MEVXNRWNQBKYHP-DZJNRPSUSA-N 1 0 395.341 2.663 20 0 GFADRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)C1(c2c(Cl)cccc2Cl)CC1 ZINC000649074581 565746267 /nfs/dbraw/zinc/74/62/67/565746267.db2.gz LYILRMJMMBTRPG-GFCCVEGCSA-N 1 0 384.307 2.603 20 0 GFADRO CCc1n[nH]c(C(=O)NC[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)c1Br ZINC000649103447 565748646 /nfs/dbraw/zinc/74/86/46/565748646.db2.gz DGGMTNXZXSNXKJ-KGLIPLIRSA-N 1 0 391.313 2.810 20 0 GFADRO CCOC(=O)COc1c(Br)cc(C)cc1CN[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000600773364 565748850 /nfs/dbraw/zinc/74/88/50/565748850.db2.gz HBPXWRAHDRXURU-UKRRQHHQSA-N 1 0 399.329 2.930 20 0 GFADRO C[NH+](C)C1CCN(S(=O)(=O)c2cccc(Br)c2Cl)CC1 ZINC000671169038 565753630 /nfs/dbraw/zinc/75/36/30/565753630.db2.gz KIQJTFUTCPREBY-UHFFFAOYSA-N 1 0 381.723 2.817 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)C(=O)NC[C@H]1CCCC[N@@H+](C)C1 ZINC000627828851 565754778 /nfs/dbraw/zinc/75/47/78/565754778.db2.gz NCVJNZOKPDZXBS-CYBMUJFWSA-N 1 0 382.302 2.544 20 0 GFADRO C[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)c1cc2c(cc1Br)OCCO2 ZINC000600962366 565761577 /nfs/dbraw/zinc/76/15/77/565761577.db2.gz XQVUTQHQBNNHHT-RISCZKNCSA-N 1 0 383.286 2.882 20 0 GFADRO CC[NH+]1CCC(CNC(=O)C(=O)N(C)Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000671375846 565762034 /nfs/dbraw/zinc/76/20/34/565762034.db2.gz DTEWAEFGDGZTMJ-UHFFFAOYSA-N 1 0 386.323 2.800 20 0 GFADRO O=C1[C@@H]2CSCCN2C(=O)N1c1ccc(SCC[NH+]2CCCC2)cc1 ZINC000649519559 565764247 /nfs/dbraw/zinc/76/42/47/565764247.db2.gz HQBKMWXMIMYSQE-INIZCTEOSA-N 1 0 377.535 2.759 20 0 GFADRO C[C@H]([NH2+]Cc1ccc(Cl)c(S(N)(=O)=O)c1)c1ccc([S@](C)=O)cc1 ZINC000601113965 565767470 /nfs/dbraw/zinc/76/74/70/565767470.db2.gz KPBBSNXLJXHUNA-RULNZOCKSA-N 1 0 386.926 2.576 20 0 GFADRO C[C@](CO)([NH2+]C[C@H](O)COc1ccc(Cl)c(Cl)c1)c1cccc(O)c1 ZINC000649624762 565768786 /nfs/dbraw/zinc/76/87/86/565768786.db2.gz UMQUCDSBGKRDRW-KBXCAEBGSA-N 1 0 386.275 2.936 20 0 GFADRO O=C1[C@H]([NH+]2CCC(C3(O)CC3)CC2)CCN1c1cccc(Br)c1 ZINC000649670683 565772652 /nfs/dbraw/zinc/77/26/52/565772652.db2.gz VXDWLDORKMUHHS-MRXNPFEDSA-N 1 0 379.298 2.791 20 0 GFADRO CN(CC1C[NH+](C)C1)C(=O)c1scc(Br)c1Br ZINC000628077440 565772966 /nfs/dbraw/zinc/77/29/66/565772966.db2.gz ZQDWIIIGUKBGFQ-UHFFFAOYSA-N 1 0 382.121 2.907 20 0 GFADRO O=c1cccc2n1C[C@H]1C[C@@H]2C[N@H+](Cc2cn3cc(Br)ccc3n2)C1 ZINC000649780322 565777615 /nfs/dbraw/zinc/77/76/15/565777615.db2.gz HHHZIAZZFPCREW-UONOGXRCSA-N 1 0 399.292 2.878 20 0 GFADRO C[N@H+](Cc1cc(Cl)cc(Cl)c1OCCN1CCOCC1)C1CC(O)C1 ZINC000628238518 565780881 /nfs/dbraw/zinc/78/08/81/565780881.db2.gz BPGBJZWCRAPWCA-UHFFFAOYSA-N 1 0 389.323 2.660 20 0 GFADRO CCN(C)C(=O)[C@@H]([NH2+]C[C@@H](O)COc1ccc(Cl)c(Cl)c1)C(C)C ZINC000649848002 565781078 /nfs/dbraw/zinc/78/10/78/565781078.db2.gz NWBIUZLQZXNYQY-WBMJQRKESA-N 1 0 377.312 2.826 20 0 GFADRO COCC[N@@H+]1CCC[C@H](NC(=O)c2cc(Br)c(C)cc2OC)C1 ZINC000671704428 565782457 /nfs/dbraw/zinc/78/24/57/565782457.db2.gz MTAGPLUTRDLWCO-ZDUSSCGKSA-N 1 0 385.302 2.607 20 0 GFADRO CS[C@@H]1CN(C(=O)c2sc([C@@H]3CCOC3)nc2C)C[C@H]1[NH+]1CCCC1 ZINC000601436913 565783568 /nfs/dbraw/zinc/78/35/68/565783568.db2.gz MGLQSWHDYYWVIE-RBSFLKMASA-N 1 0 381.567 2.607 20 0 GFADRO Cc1cc(Cl)ccc1S(=O)(=O)NCC[NH2+]Cc1[nH]nc2ccccc21 ZINC000671730267 565783932 /nfs/dbraw/zinc/78/39/32/565783932.db2.gz RCDOMTMIUNTEGP-UHFFFAOYSA-N 1 0 378.885 2.593 20 0 GFADRO CO[C@@H]1CCC[C@@H]([NH2+]CCNS(=O)(=O)c2cccc(Cl)c2Cl)C1 ZINC000671725637 565784054 /nfs/dbraw/zinc/78/40/54/565784054.db2.gz ZPRLZGFQMAEFBD-VXGBXAGGSA-N 1 0 381.325 2.819 20 0 GFADRO Cc1ccc(I)c(C(=O)N2CCC[C@@H]3C[NH2+]CC[C@@H]32)c1 ZINC000601557381 565791041 /nfs/dbraw/zinc/79/10/41/565791041.db2.gz ONRLTPVBHGKHJL-DOMZBBRYSA-N 1 0 384.261 2.814 20 0 GFADRO Cc1cccc(C(=O)N2CCC[C@@H]3C[NH2+]CC[C@H]32)c1I ZINC000601559631 565792271 /nfs/dbraw/zinc/79/22/71/565792271.db2.gz VEWNNUOTTFJZFF-TZMCWYRMSA-N 1 0 384.261 2.814 20 0 GFADRO C[C@@H](NC(=O)C(=O)N(C)Cc1c(Cl)cccc1Cl)C1CC[NH+](C)CC1 ZINC000672010118 565794540 /nfs/dbraw/zinc/79/45/40/565794540.db2.gz AODUVDYEYANYLP-GFCCVEGCSA-N 1 0 386.323 2.798 20 0 GFADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)c1sc2cc(F)ccc2c1Cl ZINC000628584349 565795039 /nfs/dbraw/zinc/79/50/39/565795039.db2.gz KCVZNPHPMDEDNE-LBPRGKRZSA-N 1 0 383.876 2.763 20 0 GFADRO CC1([NH+]2CCCC2)CCN(C(=O)c2cc(I)c[nH]2)CC1 ZINC000601739859 565800259 /nfs/dbraw/zinc/80/02/59/565800259.db2.gz QGGCQSRSAFPSIV-UHFFFAOYSA-N 1 0 387.265 2.710 20 0 GFADRO C[C@H](O)C[N@@H+]1CCN(c2ccc(-c3ccc(Br)s3)nn2)[C@H](C)C1 ZINC000672254022 565800698 /nfs/dbraw/zinc/80/06/98/565800698.db2.gz SVYOKHJEHIZNFF-NEPJUHHUSA-N 1 0 397.342 2.859 20 0 GFADRO CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ncccc1Br ZINC000672256359 565800846 /nfs/dbraw/zinc/80/08/46/565800846.db2.gz WFQODHCUEJTJCK-SFHVURJKSA-N 1 0 376.298 2.917 20 0 GFADRO CC1(C)CN(c2ccc(Br)c(C(F)(F)F)n2)CC[N@@H+]1CCO ZINC000672261062 565800961 /nfs/dbraw/zinc/80/09/61/565800961.db2.gz ZLDPPGFDSOBKKX-UHFFFAOYSA-N 1 0 382.224 2.756 20 0 GFADRO O=C(Nc1ccc(-c2ccc(Cl)s2)nc1)N1CC(N2CC[C@@H](O)C2)C1 ZINC000650184378 565802524 /nfs/dbraw/zinc/80/25/24/565802524.db2.gz HLSNQQSBTMVCNE-CYBMUJFWSA-N 1 0 378.885 2.746 20 0 GFADRO CNC(=O)c1cccc(NC(=O)NCCC[N@H+](C)CC(C)C)c1Br ZINC000650196381 565805189 /nfs/dbraw/zinc/80/51/89/565805189.db2.gz QNQZGCHVGGVWAP-UHFFFAOYSA-N 1 0 399.333 2.908 20 0 GFADRO C[C@@H]1CN(C(=O)c2cnc3ncc(Br)cc3c2)CC[N@@H+](C2CC2)C1 ZINC000650401079 565817764 /nfs/dbraw/zinc/81/77/64/565817764.db2.gz HSQBOOAACSARLY-LBPRGKRZSA-N 1 0 389.297 2.949 20 0 GFADRO O=C(NCC[N@H+]1CC[C@@H](O)C1)C1(c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000629172065 565826737 /nfs/dbraw/zinc/82/67/37/565826737.db2.gz PUFZNUNTJNCJRD-GFCCVEGCSA-N 1 0 376.806 2.573 20 0 GFADRO O=C(Cc1ccc(Br)c(Cl)c1)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000650602340 565829237 /nfs/dbraw/zinc/82/92/37/565829237.db2.gz SZQCCTMWSJWLOH-CYBMUJFWSA-N 1 0 389.721 2.608 20 0 GFADRO CC[C@@H](C)[NH2+][C@@H](CNC(=O)Cc1cc[nH]c(=O)c1Br)c1ccco1 ZINC000673290796 565831295 /nfs/dbraw/zinc/83/12/95/565831295.db2.gz LZIOKCIFMWRKSG-YPMHNXCESA-N 1 0 396.285 2.931 20 0 GFADRO Cc1c2cc(Br)ccc2oc1C(=O)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000673519001 565838320 /nfs/dbraw/zinc/83/83/20/565838320.db2.gz SIFLWCRXPTVBCV-KGLIPLIRSA-N 1 0 393.281 2.785 20 0 GFADRO Cc1sc(NC(=O)C2([S@](C)=O)CC[NH2+]CC2)nc1-c1ccc(F)cc1 ZINC000602429536 565847738 /nfs/dbraw/zinc/84/77/38/565847738.db2.gz FPCJBNYTOKJNAZ-VWLOTQADSA-N 1 0 381.498 2.697 20 0 GFADRO Cc1cc(C(=O)N2CC[C@@H](C[NH3+])C2)c(I)cc1Cl ZINC000602427638 565847776 /nfs/dbraw/zinc/84/77/76/565847776.db2.gz HDXCMVMBGNFKKQ-VIFPVBQESA-N 1 0 378.641 2.674 20 0 GFADRO C[NH+](C)CCOC1CCN(Cc2ccc(I)s2)CC1 ZINC000602477365 565850267 /nfs/dbraw/zinc/85/02/67/565850267.db2.gz UXDAZNRVBBVEON-UHFFFAOYSA-N 1 0 394.322 2.895 20 0 GFADRO COc1ccc(Br)c(CNC(=O)Nc2cnn(CC[NH+](C)C)c2)c1 ZINC000673868751 565851791 /nfs/dbraw/zinc/85/17/91/565851791.db2.gz GVPJEGWZVDOTCF-UHFFFAOYSA-N 1 0 396.289 2.538 20 0 GFADRO CC(=O)NC1CCC([NH2+]Cc2ccc(I)s2)CC1 ZINC000602524913 565852511 /nfs/dbraw/zinc/85/25/11/565852511.db2.gz ASKCMVCNFWEWTP-UHFFFAOYSA-N 1 0 378.279 2.890 20 0 GFADRO COC(=O)c1sc2c(c1Br)CN(C(=O)[C@H]([NH3+])CCC(C)C)C2 ZINC000602530503 565854140 /nfs/dbraw/zinc/85/41/40/565854140.db2.gz BHKZYHNAIXGFKI-SNVBAGLBSA-N 1 0 389.315 2.903 20 0 GFADRO CN(C(=O)[C@@H]1CCOc2ccc(Br)cc21)[C@H]1C[NH+]2CCC1CC2 ZINC000651307783 565855246 /nfs/dbraw/zinc/85/52/46/565855246.db2.gz PVNYOVFZSSVJOC-ZBFHGGJFSA-N 1 0 379.298 2.868 20 0 GFADRO C[C@H](CNC(=O)c1cnc(-c2cccc(Cl)c2)s1)N1CC[NH+](C)CC1 ZINC000651335613 565857969 /nfs/dbraw/zinc/85/79/69/565857969.db2.gz TUTBLAINERCMHS-CYBMUJFWSA-N 1 0 378.929 2.829 20 0 GFADRO C[C@@H](CNC(=O)c1cnc(-c2cccc(Cl)c2)s1)N1CC[NH+](C)CC1 ZINC000651335614 565857982 /nfs/dbraw/zinc/85/79/82/565857982.db2.gz TUTBLAINERCMHS-ZDUSSCGKSA-N 1 0 378.929 2.829 20 0 GFADRO COC(=O)c1cc(C[NH2+][C@H]2CCN(c3cccc(Br)c3)C2)on1 ZINC000602638114 565859281 /nfs/dbraw/zinc/85/92/81/565859281.db2.gz CMFHBJJKAQENJI-LBPRGKRZSA-N 1 0 380.242 2.592 20 0 GFADRO Cc1ccc(S(=O)(=O)CCCN2CCC[C@@H](C[NH3+])[C@H]2C(F)(F)F)cc1 ZINC000629582106 565860304 /nfs/dbraw/zinc/86/03/04/565860304.db2.gz NECGCIBAVCSMTN-HOCLYGCPSA-N 1 0 378.460 2.760 20 0 GFADRO C[N@H+](CC(=O)N[C@@H](CCO)c1cc(Cl)cc(Cl)c1)[C@@H]1CCSC1 ZINC000629586641 565860713 /nfs/dbraw/zinc/86/07/13/565860713.db2.gz BVYUWIFTABHVOQ-CABCVRRESA-N 1 0 377.337 2.970 20 0 GFADRO CCc1nnc(NC(=O)[C@@H](C)[C@H](C)[NH2+]Cc2cc(C(=O)OC)cs2)s1 ZINC000602656341 565860752 /nfs/dbraw/zinc/86/07/52/565860752.db2.gz SRFORZJWVSHOJZ-UWVGGRQHSA-N 1 0 382.511 2.702 20 0 GFADRO CCc1nnc(NC(=O)[C@@H](C)[C@@H](C)[NH2+]Cc2cc(C(=O)OC)cs2)s1 ZINC000602656343 565861141 /nfs/dbraw/zinc/86/11/41/565861141.db2.gz SRFORZJWVSHOJZ-VHSXEESVSA-N 1 0 382.511 2.702 20 0 GFADRO C[NH+](C)CCn1ccc(C(=O)N2CC(Cc3ccccc3Br)C2)n1 ZINC000629601916 565863024 /nfs/dbraw/zinc/86/30/24/565863024.db2.gz OPLFQNMZYULGOQ-UHFFFAOYSA-N 1 0 391.313 2.522 20 0 GFADRO COc1ccc(C[C@H](CO)C[NH2+][C@@H](C)c2c[nH]nc2C)cc1Br ZINC000651460491 565864647 /nfs/dbraw/zinc/86/46/47/565864647.db2.gz MAWOKSJPIWKARI-FZMZJTMJSA-N 1 0 382.302 2.991 20 0 GFADRO [NH3+]Cc1cc(=O)[nH]c(CNCc2cc(Br)cc(C(F)(F)F)c2)n1 ZINC000629654581 565865003 /nfs/dbraw/zinc/86/50/03/565865003.db2.gz ZNVXOAXMXGXOMO-UHFFFAOYSA-N 1 0 391.191 2.712 20 0 GFADRO COC[C@@H]([NH2+]Cc1ccc(I)s1)C1CCOCC1 ZINC000602708604 565865363 /nfs/dbraw/zinc/86/53/63/565865363.db2.gz QUJKZMHJDLIPKF-GFCCVEGCSA-N 1 0 381.279 2.884 20 0 GFADRO C[C@@H](C(=O)Nc1cc(Cl)c(NC(=O)c2cnccn2)c(Cl)c1)[NH+](C)C ZINC000674288967 565866336 /nfs/dbraw/zinc/86/63/36/565866336.db2.gz SLBPWYIPLBRBKS-VIFPVBQESA-N 1 0 382.251 2.924 20 0 GFADRO C[NH+](C)CCOc1cccc(CNS(=O)(=O)Cc2ccc(Cl)cc2)c1 ZINC000651522774 565869339 /nfs/dbraw/zinc/86/93/39/565869339.db2.gz STMZFCIGYUTVCH-UHFFFAOYSA-N 1 0 382.913 2.900 20 0 GFADRO CC[C@@H](C[NH+]1CCCC1)NS(=O)(=O)c1cc(OC)ccc1Br ZINC000674345423 565870362 /nfs/dbraw/zinc/87/03/62/565870362.db2.gz TVRSAYXXGPADOQ-LBPRGKRZSA-N 1 0 391.331 2.610 20 0 GFADRO CC[N@@H+]1CCC[C@H](CNS(=O)(=O)c2sc(Br)cc2C)C1 ZINC000651543032 565870510 /nfs/dbraw/zinc/87/05/10/565870510.db2.gz CXDVQHLHXDUUFM-LLVKDONJSA-N 1 0 381.361 2.829 20 0 GFADRO Cc1ccccc1C[N@H+]1CCCN(c2cnn(C)c(=O)c2Br)CC1 ZINC000602846960 565870875 /nfs/dbraw/zinc/87/08/75/565870875.db2.gz INVAWIIIHAVCCE-UHFFFAOYSA-N 1 0 391.313 2.564 20 0 GFADRO Cc1cc(Br)sc1S(=O)(=O)N(C)CC1CC[NH+](C)CC1 ZINC000651549209 565871080 /nfs/dbraw/zinc/87/10/80/565871080.db2.gz CBPCCFMXJYHVBV-UHFFFAOYSA-N 1 0 381.361 2.781 20 0 GFADRO CCOCCC[N@@H+]1CC[C@H](NS(=O)(=O)c2ccc(Cl)c(F)c2)[C@H](C)C1 ZINC000651562121 565872835 /nfs/dbraw/zinc/87/28/35/565872835.db2.gz DZHXRYAYAWYPJZ-DYVFJYSZSA-N 1 0 392.924 2.894 20 0 GFADRO CCN1C(=O)[C@H]2C[N@H+](CC/C=C/c3ccc(Br)cc3)CCN2C1=O ZINC000674469281 565874644 /nfs/dbraw/zinc/87/46/44/565874644.db2.gz YTQUJKYZPUATSV-LLCTXKFZSA-N 1 0 392.297 2.821 20 0 GFADRO CC(C)C[C@@H](Cc1cccc(Br)c1)C(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000629914375 565875468 /nfs/dbraw/zinc/87/54/68/565875468.db2.gz QIIOXFZKRJWVEA-WMZOPIPTSA-N 1 0 397.357 2.837 20 0 GFADRO C[NH2+]C1(CNC(=O)[C@H]2CCCN2C(=O)c2ccc(Cl)c(Cl)c2)CCC1 ZINC000629998623 565879907 /nfs/dbraw/zinc/87/99/07/565879907.db2.gz FVBNVKRXOVNDJW-OAHLLOKOSA-N 1 0 384.307 2.856 20 0 GFADRO COc1nsc(C[NH2+]CC(C)(C)[C@]2(O)CCCOC2)c1Br ZINC000630073457 565881026 /nfs/dbraw/zinc/88/10/26/565881026.db2.gz FSZJBIADEIMGBY-AWEZNQCLSA-N 1 0 379.320 2.572 20 0 GFADRO CN(CCCC[NH+](C)C)S(=O)(=O)c1cc(Br)c(F)cc1F ZINC000674716906 565881360 /nfs/dbraw/zinc/88/13/60/565881360.db2.gz ZTSFDFQVVZCBSX-UHFFFAOYSA-N 1 0 385.274 2.690 20 0 GFADRO CS(=O)(=O)N1CCC[C@H](C[N@H+]2C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)C1 ZINC000674749890 565882611 /nfs/dbraw/zinc/88/26/11/565882611.db2.gz AZMBQVGCZYRIOB-UTUOFQBUSA-N 1 0 396.397 2.721 20 0 GFADRO [NH3+]CCSCc1cn(CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)nn1 ZINC000603160357 565887787 /nfs/dbraw/zinc/88/77/87/565887787.db2.gz HAKBGIUCAYDXNW-UHFFFAOYSA-N 1 0 393.822 2.781 20 0 GFADRO COc1ccc(Br)cc1S(=O)(=O)NCCC[N@H+](C)CC(C)C ZINC000651769369 565892201 /nfs/dbraw/zinc/89/22/01/565892201.db2.gz AICDRAWYBLRUCP-UHFFFAOYSA-N 1 0 393.347 2.714 20 0 GFADRO C[C@H](NC(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1)c1nncn1C ZINC000630397301 565897587 /nfs/dbraw/zinc/89/75/87/565897587.db2.gz WBLBTLLRIZQOHK-IINYFYTJSA-N 1 0 385.299 2.785 20 0 GFADRO COc1cnc(N2CCC[C@@H]([NH+](C)C)CC2)c(I)c1 ZINC000603360810 565900664 /nfs/dbraw/zinc/90/06/64/565900664.db2.gz VTPYEFFAGSRBCI-LLVKDONJSA-N 1 0 375.254 2.615 20 0 GFADRO COCC[NH+]1CCC(NC(=O)CCCc2cccc(Br)c2)CC1 ZINC000675445140 565902086 /nfs/dbraw/zinc/90/20/86/565902086.db2.gz RFMZBGDANOTRKF-UHFFFAOYSA-N 1 0 383.330 2.999 20 0 GFADRO CC(C)C[N@H+](C)CCCNC(=O)C(=O)Nc1nc(-c2cccs2)cs1 ZINC000651902777 565902613 /nfs/dbraw/zinc/90/26/13/565902613.db2.gz XXXOZZBYZRRCJI-UHFFFAOYSA-N 1 0 380.539 2.904 20 0 GFADRO CC[NH+]1CCN(CCNC(=O)CCCc2cccc(Br)c2)CC1 ZINC000675463220 565903349 /nfs/dbraw/zinc/90/33/49/565903349.db2.gz WYSKQKYMVJBCQY-UHFFFAOYSA-N 1 0 382.346 2.526 20 0 GFADRO CCN(CCC[NH+](CC)CC)C(=O)c1ncc(I)s1 ZINC000603431247 565906056 /nfs/dbraw/zinc/90/60/56/565906056.db2.gz KYNUHJKMDALMKL-UHFFFAOYSA-N 1 0 395.310 2.942 20 0 GFADRO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2ncc(I)s2)C1 ZINC000603438021 565907036 /nfs/dbraw/zinc/90/70/36/565907036.db2.gz VVZCTNGHQPPEJD-SNVBAGLBSA-N 1 0 393.294 2.552 20 0 GFADRO [NH3+]C1CCN(CCc2cn(-c3ccc(Br)cc3Cl)nn2)CC1 ZINC000630587266 565910497 /nfs/dbraw/zinc/91/04/97/565910497.db2.gz XBSAGZFXJSZCPN-UHFFFAOYSA-N 1 0 384.709 2.649 20 0 GFADRO C[C@H]1C[C@@H]([NH2+]Cc2ccc(Br)c(F)c2)C(=O)N1c1cnn(C)c1 ZINC000675641418 565911362 /nfs/dbraw/zinc/91/13/62/565911362.db2.gz JCXYKGAEHHRUMJ-ZUZCIYMTSA-N 1 0 381.249 2.605 20 0 GFADRO COCC[NH2+]Cc1ccn(Cc2cn(-c3cc(Cl)ccc3Cl)nn2)n1 ZINC000630600173 565911821 /nfs/dbraw/zinc/91/18/21/565911821.db2.gz ZAUHXSZNDBZKRD-UHFFFAOYSA-N 1 0 381.267 2.555 20 0 GFADRO Cn1nc(C[NH2+]C[C@@H](O)COc2ccccc2Br)c2ccccc21 ZINC000675762963 565915227 /nfs/dbraw/zinc/91/52/27/565915227.db2.gz ABKGFCBNFPIOMX-CYBMUJFWSA-N 1 0 390.281 2.865 20 0 GFADRO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCN(C(=O)NCc3cccc(Br)c3)C2)C1 ZINC000652141850 565916794 /nfs/dbraw/zinc/91/67/94/565916794.db2.gz ALPKRGXYGMCZDF-USXIJHARSA-N 1 0 396.329 2.877 20 0 GFADRO COc1ccc(C[NH+](C)C)cc1NC(=O)COc1ccc(Br)cn1 ZINC000630723360 565916784 /nfs/dbraw/zinc/91/67/84/565916784.db2.gz IXLKNVMTWXHTTB-UHFFFAOYSA-N 1 0 394.269 2.932 20 0 GFADRO C[C@H](COCC1CC1)[NH2+][C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000652287028 565920394 /nfs/dbraw/zinc/92/03/94/565920394.db2.gz LYWXIQSVEJOLSQ-MNOVXSKESA-N 1 0 391.331 2.562 20 0 GFADRO Cc1cc(Br)sc1S(=O)(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000652369892 565924590 /nfs/dbraw/zinc/92/45/90/565924590.db2.gz HDULDPDQOLNGNA-GFCCVEGCSA-N 1 0 393.372 2.829 20 0 GFADRO Cc1cc(Br)sc1S(=O)(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000652369015 565925040 /nfs/dbraw/zinc/92/50/40/565925040.db2.gz CJWFZIDTPXMTGG-GFCCVEGCSA-N 1 0 393.372 2.972 20 0 GFADRO [NH3+]C[C@]12CCC[C@H]1CN(S(=O)(=O)c1ccc(Cl)cc1Br)C2 ZINC000652375854 565925536 /nfs/dbraw/zinc/92/55/36/565925536.db2.gz BEEODGQZBMVUKU-HZMBPMFUSA-N 1 0 393.734 2.852 20 0 GFADRO C[NH2+]Cc1ccccc1CNS(=O)(=O)c1cccc(Br)c1C ZINC000652381656 565926639 /nfs/dbraw/zinc/92/66/39/565926639.db2.gz BWRZTFCWJAQJPP-UHFFFAOYSA-N 1 0 383.311 2.955 20 0 GFADRO C[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Br)cc2)[C@@H]1CC[NH3+] ZINC000652377525 565926852 /nfs/dbraw/zinc/92/68/52/565926852.db2.gz JMCNFPRBAQXNQX-IUODEOHRSA-N 1 0 375.332 2.728 20 0 GFADRO [NH3+]CCC1CCN(S(=O)(=O)c2cc(Br)ccc2Cl)CC1 ZINC000652383075 565927536 /nfs/dbraw/zinc/92/75/36/565927536.db2.gz UQUDGWMKLGNLQZ-UHFFFAOYSA-N 1 0 381.723 2.852 20 0 GFADRO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCCN2S(=O)(=O)c2ccc(Cl)c(F)c2)C1 ZINC000652383176 565927642 /nfs/dbraw/zinc/92/76/42/565927642.db2.gz DSECFIIOKSSBDL-HFBAOOFYSA-N 1 0 376.881 2.529 20 0 GFADRO Cc1cc(S(=O)(=O)N2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)c(Cl)cc1F ZINC000652384411 565927728 /nfs/dbraw/zinc/92/77/28/565927728.db2.gz ZFHUDEYFPQTQRQ-MAZHCROVSA-N 1 0 390.908 2.837 20 0 GFADRO CN(CC[NH+]1CCCCC1)C(=O)C(=O)N(C)Cc1ccc(Cl)c(Cl)c1 ZINC000652390308 565928371 /nfs/dbraw/zinc/92/83/71/565928371.db2.gz HQOFCTYBOUQEIA-UHFFFAOYSA-N 1 0 386.323 2.896 20 0 GFADRO CCOCCC[N@@H+]1CC[C@H](NS(=O)(=O)c2cccc(Cl)c2F)[C@@H](C)C1 ZINC000604411268 565929608 /nfs/dbraw/zinc/92/96/08/565929608.db2.gz LQODAFQKZPILQV-ZFWWWQNUSA-N 1 0 392.924 2.894 20 0 GFADRO CN(C[C@H]1CCC[N@H+](C)C1)S(=O)(=O)c1ccc(OCC(F)(F)F)cc1 ZINC000604408004 565929969 /nfs/dbraw/zinc/92/99/69/565929969.db2.gz UWTNNYKIJXUSRC-ZDUSSCGKSA-N 1 0 380.432 2.590 20 0 GFADRO C[NH+](C)CCN(CC(=O)OC(C)(C)C)C(=O)c1cc(F)c(F)cc1Cl ZINC000604562918 565932974 /nfs/dbraw/zinc/93/29/74/565932974.db2.gz LOXGQECUMSFHQN-UHFFFAOYSA-N 1 0 376.831 2.964 20 0 GFADRO C[N@H+](CCCO)C1CCN(C[C@H](O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000604608165 565933516 /nfs/dbraw/zinc/93/35/16/565933516.db2.gz VEPXNXFDEDYLJE-HNNXBMFYSA-N 1 0 391.339 2.512 20 0 GFADRO Cc1nc(NC(=O)N2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)ccc1Br ZINC000652594927 565935173 /nfs/dbraw/zinc/93/51/73/565935173.db2.gz KPMFYKYYFDZWTC-YDHLFZDLSA-N 1 0 397.317 2.903 20 0 GFADRO CCOc1ccc(Br)cc1S(=O)(=O)N1CCC[C@@H]1C[NH+](C)C ZINC000676415981 565936591 /nfs/dbraw/zinc/93/65/91/565936591.db2.gz LBFFRHIQPPMHRF-CYBMUJFWSA-N 1 0 391.331 2.563 20 0 GFADRO CO[C@@H](c1ccccc1F)[C@H](C)[NH2+]Cc1ccc(Cl)c(S(N)(=O)=O)c1 ZINC000631107441 565941083 /nfs/dbraw/zinc/94/10/83/565941083.db2.gz ADZFAYGVSFUHEE-APPDUMDISA-N 1 0 386.876 2.992 20 0 GFADRO O=S1(=O)CC[C@]2(C1)C[C@H]([NH2+]Cc1ccccc1CC(F)(F)F)CCO2 ZINC000631108786 565941402 /nfs/dbraw/zinc/94/14/02/565941402.db2.gz SJLWQNMLINGNEQ-HZPDHXFCSA-N 1 0 377.428 2.617 20 0 GFADRO O=C(c1cc(Br)c2nccn2c1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000631139332 565944284 /nfs/dbraw/zinc/94/42/84/565944284.db2.gz MWMMSRGMHKKBNT-AWEZNQCLSA-N 1 0 377.286 2.797 20 0 GFADRO Cc1c(Br)cccc1C[C@H](CO)C[NH2+]Cc1ncnn1C(C)C ZINC000631153566 565945790 /nfs/dbraw/zinc/94/57/90/565945790.db2.gz AOZASYRRXSHLKD-AWEZNQCLSA-N 1 0 381.318 2.871 20 0 GFADRO COc1cc(CNC2CC[NH+]([C@@H]3CCOC3)CC2)c(F)cc1Br ZINC000631177393 565947263 /nfs/dbraw/zinc/94/72/63/565947263.db2.gz KOCIXMNOECQGNT-CQSZACIVSA-N 1 0 387.293 2.940 20 0 GFADRO CC[N@H+](CCNC(=O)C(=O)Nc1cc(Cl)c(OC)c(Cl)c1)C(C)C ZINC000605247230 565949005 /nfs/dbraw/zinc/94/90/05/565949005.db2.gz MZWGAINGGBFKNJ-UHFFFAOYSA-N 1 0 376.284 2.787 20 0 GFADRO COc1c(Cl)cc(NC(=O)C(=O)NCC[N@H+](C)C2CCCC2)cc1Cl ZINC000605250163 565949161 /nfs/dbraw/zinc/94/91/61/565949161.db2.gz UBPKLIHUZFYLEG-UHFFFAOYSA-N 1 0 388.295 2.931 20 0 GFADRO CCC[N@H+](CC)C[C@@H](C)Nc1cccc(OC(F)(F)F)c1S(N)(=O)=O ZINC000631279915 565952663 /nfs/dbraw/zinc/95/26/63/565952663.db2.gz WPIMLTDLARSMIV-LLVKDONJSA-N 1 0 383.436 2.765 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653058720 565953211 /nfs/dbraw/zinc/95/32/11/565953211.db2.gz CVOZTAMTJNMROL-HZPDHXFCSA-N 1 0 394.313 2.685 20 0 GFADRO CSc1ccc([C@@H](CNc2c(F)cccc2S(N)(=O)=O)[NH+](C)C)cc1 ZINC000631297440 565953347 /nfs/dbraw/zinc/95/33/47/565953347.db2.gz ZZZBAWFOOSIJCS-OAHLLOKOSA-N 1 0 383.514 2.910 20 0 GFADRO C[C@H](NC(=O)[C@@H]1CC[C@H](C2CC2)[NH2+]1)c1cc2c(cc1Br)OCCO2 ZINC000653074869 565953449 /nfs/dbraw/zinc/95/34/49/565953449.db2.gz YMVFKFKJEBRWEJ-VQISRLSMSA-N 1 0 395.297 2.928 20 0 GFADRO O[C@@H](COc1ccc(Cl)c(Cl)c1)C[N@@H+]1CCC[C@H](Cn2ccnn2)C1 ZINC000676899687 565954228 /nfs/dbraw/zinc/95/42/28/565954228.db2.gz DJLMJYNAUNEVGK-UONOGXRCSA-N 1 0 385.295 2.737 20 0 GFADRO COc1cc(Br)c(CNC(=O)[C@H]2CC[C@H](C3CC3)[NH2+]2)cc1OC ZINC000653085584 565954511 /nfs/dbraw/zinc/95/45/11/565954511.db2.gz QNJNDLNMAQSMOH-ZIAGYGMSSA-N 1 0 383.286 2.613 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@@H]1CNc1cccc(OC(F)(F)F)c1S(N)(=O)=O ZINC000631349879 565955865 /nfs/dbraw/zinc/95/58/65/565955865.db2.gz OJVGTFOCOOPJND-SNVBAGLBSA-N 1 0 381.420 2.517 20 0 GFADRO [NH3+][C@@H]1CCC[C@H]1CC(=O)NCc1noc(-c2cccc(Br)c2)n1 ZINC000653160517 565956153 /nfs/dbraw/zinc/95/61/53/565956153.db2.gz LSIVGRSDHMCUQR-GXFFZTMASA-N 1 0 379.258 2.633 20 0 GFADRO O=C(CCCCO)NC1CC[NH+](CCOc2ccc(Br)cc2)CC1 ZINC000631386485 565956764 /nfs/dbraw/zinc/95/67/64/565956764.db2.gz BEQKPPDGMHAITC-UHFFFAOYSA-N 1 0 399.329 2.571 20 0 GFADRO O=C(COc1ccc(Br)cn1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000631411877 565956971 /nfs/dbraw/zinc/95/69/71/565956971.db2.gz NMXYLZQRXQYIFJ-OAHLLOKOSA-N 1 0 382.302 2.700 20 0 GFADRO COCC[NH2+]C1CCN(C(=O)Cc2sc(C)nc2-c2cccs2)CC1 ZINC000653180309 565957433 /nfs/dbraw/zinc/95/74/33/565957433.db2.gz IKMVBPJLOUYPTL-UHFFFAOYSA-N 1 0 379.551 2.950 20 0 GFADRO O=C(NC1(c2ccccc2Br)CCC1)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O ZINC000653177899 565957716 /nfs/dbraw/zinc/95/77/16/565957716.db2.gz JHYWNGNDZATUGU-AGUYFDCRSA-N 1 0 391.309 2.759 20 0 GFADRO COCC[N@@H+]1CC[C@H](NC(=O)NCCCOc2ccc(Cl)cc2Cl)C1 ZINC000605882212 565957961 /nfs/dbraw/zinc/95/79/61/565957961.db2.gz OLOFXGXRVZOALU-AWEZNQCLSA-N 1 0 390.311 2.782 20 0 GFADRO CCC1([NH+]2CCCC2)CCN(c2cc(Br)cnc2C(N)=O)CC1 ZINC000631448042 565958900 /nfs/dbraw/zinc/95/89/00/565958900.db2.gz DCXCGTADNMABAS-UHFFFAOYSA-N 1 0 381.318 2.788 20 0 GFADRO C[C@@H]1CCCN(C(=O)c2cc(=O)c3cc(Br)ccc3[nH]2)[C@H]1CC[NH3+] ZINC000653238236 565959600 /nfs/dbraw/zinc/95/96/00/565959600.db2.gz NEXQUVAWYALCBT-BZNIZROVSA-N 1 0 392.297 2.880 20 0 GFADRO [NH3+]CCC1CCN(C(=O)[C@@H]2CC(=O)N(c3cc(Cl)cc(Cl)c3)C2)CC1 ZINC000653257002 565960357 /nfs/dbraw/zinc/96/03/57/565960357.db2.gz YTZBGHNVTRRLFI-CYBMUJFWSA-N 1 0 384.307 2.934 20 0 GFADRO COC1CC[NH+](CCNC(=O)[C@H]2C[C@@]2(C)c2cccc(Br)c2)CC1 ZINC000631671887 565966128 /nfs/dbraw/zinc/96/61/28/565966128.db2.gz IMGQFDYIDQNBSC-MJGOQNOKSA-N 1 0 395.341 2.954 20 0 GFADRO COC1CC[NH+](CCNC(=O)[C@@H]2[C@@H]3Cc4cc(Br)ccc4[C@@H]32)CC1 ZINC000631673737 565966501 /nfs/dbraw/zinc/96/65/01/565966501.db2.gz USIOJUWESMIUGJ-FGTMMUONSA-N 1 0 393.325 2.562 20 0 GFADRO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCc2n[nH]cc2Br)C1 ZINC000606504022 565967605 /nfs/dbraw/zinc/96/76/05/565967605.db2.gz UDBHKOKFIXTKCN-LBPRGKRZSA-N 1 0 386.338 2.872 20 0 GFADRO C[C@@H](NC(=O)NCCOc1ccc(Br)cc1)C1CC[NH+](C)CC1 ZINC000606660334 565968680 /nfs/dbraw/zinc/96/86/80/565968680.db2.gz DPMAWSMLCQASTN-CYBMUJFWSA-N 1 0 384.318 2.857 20 0 GFADRO C[C@H]([NH2+]CC[C@H](O)C(F)F)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000631697773 565968667 /nfs/dbraw/zinc/96/86/67/565968667.db2.gz PRWLZAVSIWUIOE-BBRMVZONSA-N 1 0 376.469 2.528 20 0 GFADRO C[NH+](C)CCCS(=O)(=O)N[C@H]1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000631728415 565969740 /nfs/dbraw/zinc/96/97/40/565969740.db2.gz PCJKPWJPSOXVHV-URLYPYJESA-N 1 0 384.386 2.767 20 0 GFADRO O=C(NCc1n[nH]cc1Br)N1CC[NH+](CC2CCCCC2)CC1 ZINC000606694977 565969827 /nfs/dbraw/zinc/96/98/27/565969827.db2.gz WXNIHLLVENDXHP-UHFFFAOYSA-N 1 0 384.322 2.580 20 0 GFADRO C[NH+](C)CCc1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)s2)cc1 ZINC000653510835 565970729 /nfs/dbraw/zinc/97/07/29/565970729.db2.gz ODCUXSHBZVXDFG-UHFFFAOYSA-N 1 0 380.535 2.540 20 0 GFADRO OCC[NH2+]C1CCN(Cc2coc(-c3ccc(Br)cc3)n2)CC1 ZINC000631864406 565978433 /nfs/dbraw/zinc/97/84/33/565978433.db2.gz NRKJVOKJGULZEA-UHFFFAOYSA-N 1 0 380.286 2.650 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(Cl)c(NS(C)(=O)=O)c2)C[C@H]1C ZINC000607119310 565978578 /nfs/dbraw/zinc/97/85/78/565978578.db2.gz ABDJZRURNKRJIS-TZMCWYRMSA-N 1 0 387.933 2.656 20 0 GFADRO C[N@H+](CC[C@@H]1CCS(=O)(=O)C1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000677677896 565980488 /nfs/dbraw/zinc/98/04/88/565980488.db2.gz DHFQJYPKCYYLNE-HPEXNQPKSA-N 1 0 378.321 2.708 20 0 GFADRO Cc1cc(Cl)c(Br)cc1S(=O)(=O)N(C)C1CC[NH2+]CC1 ZINC000631902194 565982208 /nfs/dbraw/zinc/98/22/08/565982208.db2.gz USAPXKPTWQYULG-UHFFFAOYSA-N 1 0 381.723 2.783 20 0 GFADRO O=S(=O)(NC1CC[NH2+]CC1)c1csnc1-c1cccc(C(F)(F)F)c1 ZINC000631900411 565982345 /nfs/dbraw/zinc/98/23/45/565982345.db2.gz RTZWBOBNMJWYLO-UHFFFAOYSA-N 1 0 391.440 2.859 20 0 GFADRO C[NH2+][C@H]1CCN(S(=O)(=O)c2csnc2-c2cccc(C(F)(F)F)c2)C1 ZINC000631901119 565982541 /nfs/dbraw/zinc/98/25/41/565982541.db2.gz RMVXCYXUZLZAOY-LBPRGKRZSA-N 1 0 391.440 2.811 20 0 GFADRO O=S(=O)(c1cscc1Br)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000631934179 565984387 /nfs/dbraw/zinc/98/43/87/565984387.db2.gz RKQGJDGJXOLDNS-LBPRGKRZSA-N 1 0 379.345 2.663 20 0 GFADRO O=S(=O)(c1ccc(C(F)(F)C(F)(F)F)cc1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000631939209 565984645 /nfs/dbraw/zinc/98/46/45/565984645.db2.gz VEVRGDMTNKNAOS-MFKMUULPSA-N 1 0 384.370 2.713 20 0 GFADRO O=S(=O)(c1cscc1Br)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000631934178 565984926 /nfs/dbraw/zinc/98/49/26/565984926.db2.gz RKQGJDGJXOLDNS-GFCCVEGCSA-N 1 0 379.345 2.663 20 0 GFADRO O=S(=O)(NCc1cccc2c1CC[NH2+]C2)C1CCC(C(F)(F)F)CC1 ZINC000631962002 565986534 /nfs/dbraw/zinc/98/65/34/565986534.db2.gz BTWUKEZMOFNXEQ-UHFFFAOYSA-N 1 0 376.444 2.873 20 0 GFADRO O=C1C[C@H]([C@@H]2CCCC[N@H+]2Cc2cn3cc(Br)ccc3n2)CN1 ZINC000677903434 565986699 /nfs/dbraw/zinc/98/66/99/565986699.db2.gz VUSIVFBTGBZKBB-WFASDCNBSA-N 1 0 377.286 2.587 20 0 GFADRO COC[C@H](NC(=O)C[N@H+](C)[C@H]1CCSC1)c1cccc(C(F)(F)F)c1 ZINC000677892322 565987294 /nfs/dbraw/zinc/98/72/94/565987294.db2.gz AVSROKWGAGUVRE-GJZGRUSLSA-N 1 0 376.444 2.946 20 0 GFADRO C[C@H]1C[C@H]([NH3+])CN1S(=O)(=O)c1cc(C(F)(F)F)ccc1Br ZINC000631972595 565987816 /nfs/dbraw/zinc/98/78/16/565987816.db2.gz HILPRUFJIWOOKI-CBAPKCEASA-N 1 0 387.221 2.578 20 0 GFADRO Cc1csc(-c2ccc(S(=O)(=O)N3CCC[C@@H]4C[NH2+]CC[C@@H]43)cc2)n1 ZINC000631993163 565989500 /nfs/dbraw/zinc/98/95/00/565989500.db2.gz LQYFKUODGRGYTE-WBVHZDCISA-N 1 0 377.535 2.881 20 0 GFADRO Cc1cc(Br)c(S(=O)(=O)N2CCC[C@H]3C[NH2+]CC[C@@H]32)s1 ZINC000631994657 565989954 /nfs/dbraw/zinc/98/99/54/565989954.db2.gz PGGFRSMPZZJJBJ-JQWIXIFHSA-N 1 0 379.345 2.582 20 0 GFADRO CC(C)Oc1ccc(Br)cc1NC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000654020495 565990581 /nfs/dbraw/zinc/99/05/81/565990581.db2.gz DNZWIYPRZMNASU-UONOGXRCSA-N 1 0 398.301 2.519 20 0 GFADRO Cc1c(Br)c[nH]c(=O)c1C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000632012760 565990827 /nfs/dbraw/zinc/99/08/27/565990827.db2.gz XFMUKVXFWULNSN-DOMZBBRYSA-N 1 0 394.313 2.947 20 0 GFADRO COc1cc(Br)cc(NC(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c1 ZINC000678016854 565993413 /nfs/dbraw/zinc/99/34/13/565993413.db2.gz XWMMEDNQDYWMKB-CVEARBPZSA-N 1 0 398.301 2.521 20 0 GFADRO CC(C)S(=O)(=O)c1c(Cl)cccc1NC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000654066550 565994898 /nfs/dbraw/zinc/99/48/98/565994898.db2.gz BBCNVYJLXWBYHS-BETUJISGSA-N 1 0 387.933 2.984 20 0 GFADRO CC(C)[NH+](CCCNS(=O)(=O)Cc1ncsc1Br)C(C)C ZINC000632057744 565995647 /nfs/dbraw/zinc/99/56/47/565995647.db2.gz NUJJCWJQQUVECT-UHFFFAOYSA-N 1 0 398.392 2.834 20 0 GFADRO C[C@@H](c1ccccc1Br)N1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000678083290 565998780 /nfs/dbraw/zinc/99/87/80/565998780.db2.gz ZHVUYAFQCJIYHG-GUYCJALGSA-N 1 0 380.330 2.924 20 0 GFADRO C[C@@H](C[NH+]1CCC(NS(C)(=O)=O)CC1)c1cccc(Br)c1 ZINC000678129808 566001038 /nfs/dbraw/zinc/00/10/38/566001038.db2.gz YRKLRHLZRCSHTI-LBPRGKRZSA-N 1 0 375.332 2.566 20 0 GFADRO CC(C)C[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2ccc3[nH]c(=O)sc3c2)C1 ZINC000632126817 566001268 /nfs/dbraw/zinc/00/12/68/566001268.db2.gz DGTMBKNYNVRSRG-ZDUSSCGKSA-N 1 0 383.539 2.648 20 0 GFADRO O=C(N[C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1cc2c(c(Br)c1)OCO2 ZINC000654308823 566005391 /nfs/dbraw/zinc/00/53/91/566005391.db2.gz RREDDFGPFJOTJN-KBPBESRZSA-N 1 0 381.270 2.925 20 0 GFADRO O=S1(=O)CCCN1CCC[NH2+][C@@H]1CCc2c1cc(Br)cc2F ZINC000678580789 566013599 /nfs/dbraw/zinc/01/35/99/566013599.db2.gz MTMJGPIFOFKMEB-OAHLLOKOSA-N 1 0 391.306 2.591 20 0 GFADRO C[N@H+](CC(=O)N1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1)C1CCC1 ZINC000608500639 566016370 /nfs/dbraw/zinc/01/63/70/566016370.db2.gz NFBGWFMJTRUPIS-UHFFFAOYSA-N 1 0 384.307 2.762 20 0 GFADRO COc1ccc(Br)c(CN(C)C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)c1 ZINC000654661791 566018666 /nfs/dbraw/zinc/01/86/66/566018666.db2.gz PMGFPMFGTAZQDD-XBXGTLAGSA-N 1 0 384.318 2.939 20 0 GFADRO CO[C@@H](C(=O)N(CC[NH+](C)C)C[C@H]1CCCO1)c1ccccc1Br ZINC000654733560 566020391 /nfs/dbraw/zinc/02/03/91/566020391.db2.gz YVZAYYKYQKRVFT-RHSMWYFYSA-N 1 0 399.329 2.706 20 0 GFADRO C[C@@H](NC(=O)c1ccn(CC[NH+](C)C)n1)c1ccc(F)c(Br)c1 ZINC000654759706 566020663 /nfs/dbraw/zinc/02/06/63/566020663.db2.gz QSRHYVKNQYRZBW-LLVKDONJSA-N 1 0 383.265 2.837 20 0 GFADRO C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)NCc2n[nH]cc2Br)C1 ZINC000608691672 566021276 /nfs/dbraw/zinc/02/12/76/566021276.db2.gz ZLXJDWPTVWULSA-AWEZNQCLSA-N 1 0 392.301 2.588 20 0 GFADRO CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cc(F)c(Br)cc1F ZINC000632408807 566029105 /nfs/dbraw/zinc/02/91/05/566029105.db2.gz VYXUGGXASUABOU-UHFFFAOYSA-N 1 0 397.285 2.832 20 0 GFADRO CCN(C1CC[NH+](C)CC1)S(=O)(=O)Cc1cc(F)ccc1Br ZINC000632408382 566029318 /nfs/dbraw/zinc/02/93/18/566029318.db2.gz DNMZVOPSDREYFL-UHFFFAOYSA-N 1 0 393.322 2.834 20 0 GFADRO C[C@H]([NH2+]C[C@@H]1CCC[C@@]12NC(=O)N(C)C2=O)c1ccc(Br)c(F)c1 ZINC000679066105 566029472 /nfs/dbraw/zinc/02/94/72/566029472.db2.gz PTTRGUWDLPPAHK-QAGHZCBJSA-N 1 0 398.276 2.959 20 0 GFADRO CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc(OC)cc1Br ZINC000632408321 566029590 /nfs/dbraw/zinc/02/95/90/566029590.db2.gz BIDHPFJMEGGJMU-UHFFFAOYSA-N 1 0 391.331 2.563 20 0 GFADRO O=C(Nc1ccc(Br)c(F)c1)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000654948060 566031690 /nfs/dbraw/zinc/03/16/90/566031690.db2.gz XNXPPCWJPAKLBH-HUUCEWRRSA-N 1 0 398.276 2.660 20 0 GFADRO C[N@@H+]1CCC[C@H](NC(=O)CCC[S@](=O)c2ccc(Br)cc2)C1 ZINC000609548474 566044461 /nfs/dbraw/zinc/04/44/61/566044461.db2.gz CHSNNHJTVDBCLE-FPTDNZKUSA-N 1 0 387.343 2.547 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@@H](CNS(=O)(=O)c2cscc2Br)C1 ZINC000632545261 566044684 /nfs/dbraw/zinc/04/46/84/566044684.db2.gz ZPWBDEAJILIZGD-JTQLQIEISA-N 1 0 381.361 2.909 20 0 GFADRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)c2cc(-c3ccc(Br)cc3)n[nH]2)C1 ZINC000655246684 566049719 /nfs/dbraw/zinc/04/97/19/566049719.db2.gz OPQNLOANGVPXCB-VDISTLRHSA-N 1 0 377.286 2.909 20 0 GFADRO O=C(c1[nH]ccc1-c1c(Cl)cccc1Cl)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000655294900 566050955 /nfs/dbraw/zinc/05/09/55/566050955.db2.gz JXPWQZUBMYFAQL-NWDGAFQWSA-N 1 0 380.275 2.880 20 0 GFADRO COc1cc(Br)ccc1C[NH2+][C@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000679749831 566051337 /nfs/dbraw/zinc/05/13/37/566051337.db2.gz LBSJAQKATYNNGZ-KBPBESRZSA-N 1 0 376.316 2.903 20 0 GFADRO O=C(NC[C@@H]1CCN(c2cccc(Br)c2)C1)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000655445800 566057307 /nfs/dbraw/zinc/05/73/07/566057307.db2.gz NABGMRAQNBCDOQ-YJLNNSPDSA-N 1 0 392.341 2.781 20 0 GFADRO CO[C@@H]1CCC[N@H+](CC(=O)N(C)CCOc2ccc(Br)cc2)CC1 ZINC000679951509 566059045 /nfs/dbraw/zinc/05/90/45/566059045.db2.gz NOULUSVPJUGITK-MRXNPFEDSA-N 1 0 399.329 2.787 20 0 GFADRO Cc1c(Br)cccc1CS(=O)(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000655504642 566060882 /nfs/dbraw/zinc/06/08/82/566060882.db2.gz GQXCLEDPSGRUCR-HNNXBMFYSA-N 1 0 387.343 2.756 20 0 GFADRO O=C(NCCCc1cccc(Br)c1)NC[C@H]1CCC[N@H+]1CCCO ZINC000655505714 566060901 /nfs/dbraw/zinc/06/09/01/566060901.db2.gz PGNKVLSMVWXCHQ-QGZVFWFLSA-N 1 0 398.345 2.528 20 0 GFADRO [NH3+]C[C@H](NC(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl)C(F)(F)F ZINC000655508150 566061742 /nfs/dbraw/zinc/06/17/42/566061742.db2.gz BPKORHSATLDTPP-RYUDHWBXSA-N 1 0 398.212 2.604 20 0 GFADRO Cc1c(Br)cccc1CS(=O)(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000655524309 566064198 /nfs/dbraw/zinc/06/41/98/566064198.db2.gz YVJNHHIIMXGOHZ-SMDDNHRTSA-N 1 0 375.332 2.660 20 0 GFADRO Cc1c(Br)cccc1CS(=O)(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000655533744 566064782 /nfs/dbraw/zinc/06/47/82/566064782.db2.gz NRANUMIOAJSVKV-SMDDNHRTSA-N 1 0 387.343 2.802 20 0 GFADRO C[C@H](NC(=O)c1ccc(Br)s1)C(=O)Nc1cc(N(C)C)cc[nH+]1 ZINC000680258430 566066506 /nfs/dbraw/zinc/06/65/06/566066506.db2.gz KDGUIYAIOHDSGJ-VIFPVBQESA-N 1 0 397.298 2.729 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(I)c[nH]2)C[C@H]1C ZINC000610125543 566066950 /nfs/dbraw/zinc/06/69/50/566066950.db2.gz BQZLGCBXKNXUSO-ZYHUDNBSSA-N 1 0 375.254 2.564 20 0 GFADRO COC(=O)[C@H](NC(=O)C[NH+]1[C@H](C)CC[C@H]1C)c1ccc(Br)cc1 ZINC000610150301 566069472 /nfs/dbraw/zinc/06/94/72/566069472.db2.gz HWULRAZZLQSHAH-XHBSWPGZSA-N 1 0 383.286 2.652 20 0 GFADRO COC(=O)[C@H](NC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C)c1ccc(Br)cc1 ZINC000610150299 566069553 /nfs/dbraw/zinc/06/95/53/566069553.db2.gz HWULRAZZLQSHAH-MQIPJXDCSA-N 1 0 383.286 2.652 20 0 GFADRO C[C@@H](NC[C@H](O)C[NH+]1CCCC1)c1nc(-c2ccc(Br)cc2)no1 ZINC000680428330 566071111 /nfs/dbraw/zinc/07/11/11/566071111.db2.gz ZGIUGASYQLEQLK-DOMZBBRYSA-N 1 0 395.301 2.606 20 0 GFADRO COc1ccc(CCC(=O)N2CCC[C@@H]3C[NH2+]CC[C@H]32)c(Br)c1 ZINC000632864974 566072155 /nfs/dbraw/zinc/07/21/55/566072155.db2.gz OFMTWYWBMLONSS-RHSMWYFYSA-N 1 0 381.314 2.991 20 0 GFADRO [NH3+]C[C@H]1Cc2ccccc2N(C(=O)c2sc3c(c2Br)CNC3)C1 ZINC000632869490 566072338 /nfs/dbraw/zinc/07/23/38/566072338.db2.gz MIIQNAMNBOZSFN-SNVBAGLBSA-N 1 0 392.322 2.892 20 0 GFADRO O=C(c1ccc(-n2cc(Br)cn2)cc1)N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000632861985 566072488 /nfs/dbraw/zinc/07/24/88/566072488.db2.gz PZVAOUDQUMYIGM-RHSMWYFYSA-N 1 0 389.297 2.849 20 0 GFADRO O=C(Nc1ccnn1Cc1ccc(Br)cc1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000632936840 566075557 /nfs/dbraw/zinc/07/55/57/566075557.db2.gz QBIYUTKYTREIJD-GASCZTMLSA-N 1 0 390.285 2.662 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)C(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000633047669 566081735 /nfs/dbraw/zinc/08/17/35/566081735.db2.gz UWYGWEDXAFDWNO-CYBMUJFWSA-N 1 0 382.302 2.590 20 0 GFADRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)N[C@@H]1[C@H]2Cc3c(cccc3Br)[C@@H]12 ZINC000633076869 566082668 /nfs/dbraw/zinc/08/26/68/566082668.db2.gz MMXWLLRYGTYDIC-DRCJMICCSA-N 1 0 390.325 2.871 20 0 GFADRO CC(C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000633084102 566083048 /nfs/dbraw/zinc/08/30/48/566083048.db2.gz ZKMTXNMQYIQIGL-TZMCWYRMSA-N 1 0 386.323 2.784 20 0 GFADRO Cc1nn(-c2ccccc2Br)cc1C[NH2+][C@H]1CCCCNC1=O ZINC000655717143 566083892 /nfs/dbraw/zinc/08/38/92/566083892.db2.gz VOHKDFWCJWIQKV-HNNXBMFYSA-N 1 0 377.286 2.702 20 0 GFADRO CN(C)CC[N@H+](C)CCCNC(=O)c1oc2ccccc2c1Br ZINC000633109680 566083971 /nfs/dbraw/zinc/08/39/71/566083971.db2.gz QDBXZVFGQPNEGT-UHFFFAOYSA-N 1 0 382.302 2.809 20 0 GFADRO Cc1nn(-c2cccc(Br)c2)cc1C[NH2+][C@H](C)CN1CCOCC1 ZINC000655713337 566084735 /nfs/dbraw/zinc/08/47/35/566084735.db2.gz YSOPEWIPDQPGSF-CQSZACIVSA-N 1 0 393.329 2.754 20 0 GFADRO Cc1nn(-c2ccccc2Br)cc1C[NH2+][C@@H](C)[C@@H]1CN(C)CCO1 ZINC000655747790 566085679 /nfs/dbraw/zinc/08/56/79/566085679.db2.gz XISJVMURWDPJFT-KSSFIOAISA-N 1 0 393.329 2.752 20 0 GFADRO COC[C@](C)(CCO)[NH2+]Cc1cn(-c2cccc(Br)c2)nc1C ZINC000655744513 566085770 /nfs/dbraw/zinc/08/57/70/566085770.db2.gz QPXOJPDXBCCGIF-KRWDZBQOSA-N 1 0 382.302 2.820 20 0 GFADRO OC[C@H](C[NH2+]Cc1cc2n(n1)CCCC2)Cc1ccccc1Br ZINC000655766115 566086724 /nfs/dbraw/zinc/08/67/24/566086724.db2.gz MRSLDNUXHORLNR-AWEZNQCLSA-N 1 0 378.314 2.923 20 0 GFADRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)CCn1cc(Br)cn1 ZINC000680910286 566087925 /nfs/dbraw/zinc/08/79/25/566087925.db2.gz PUKSUNBVEKCALE-WMLDXEAASA-N 1 0 391.313 2.672 20 0 GFADRO C[N@@H+]1CCN(CCNC(=O)NCc2ccsc2C(F)(F)F)CC1(C)C ZINC000633210609 566089818 /nfs/dbraw/zinc/08/98/18/566089818.db2.gz YVCRKUMOKXHIQL-UHFFFAOYSA-N 1 0 378.464 2.592 20 0 GFADRO CCN1C[C@H](C[NH2+]Cc2cn(-c3ccccc3Br)nc2C)CC1=O ZINC000655799795 566090177 /nfs/dbraw/zinc/09/01/77/566090177.db2.gz PWQGXMWQXGMLIL-AWEZNQCLSA-N 1 0 391.313 2.901 20 0 GFADRO C[C@H](CCc1ccc(Br)cc1)NC(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000655912614 566095871 /nfs/dbraw/zinc/09/58/71/566095871.db2.gz AOFIUCBTQPONEP-SKDRFNHKSA-N 1 0 382.224 2.959 20 0 GFADRO [NH3+]C[C@H](NC(=O)N1CC[C@@H](Cc2ccc(Br)cc2)C1)C(F)(F)F ZINC000655925573 566096356 /nfs/dbraw/zinc/09/63/56/566096356.db2.gz DLZDWAAAXYUVAU-AAEUAGOBSA-N 1 0 394.235 2.913 20 0 GFADRO CC(C)Sc1ccc(Cl)cc1NC(=O)C(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000655959298 566099265 /nfs/dbraw/zinc/09/92/65/566099265.db2.gz ULDYJOTUQYCUBJ-NSHDSACASA-N 1 0 383.823 2.785 20 0 GFADRO CC(C)Sc1c(Cl)cccc1NC(=O)C(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000655958070 566099304 /nfs/dbraw/zinc/09/93/04/566099304.db2.gz JDRJVINZTZIIAI-JTQLQIEISA-N 1 0 383.823 2.785 20 0 GFADRO CCN(CCC[NH+](C)C)C(=O)C(=O)NCCCc1c(Cl)cccc1Cl ZINC000656078234 566103020 /nfs/dbraw/zinc/10/30/20/566103020.db2.gz HRIHQNNGBZTRFG-UHFFFAOYSA-N 1 0 388.339 2.842 20 0 GFADRO C[C@@H](C[NH2+]C[C@H](O)COc1cc(Cl)ccc1Cl)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656153678 566106848 /nfs/dbraw/zinc/10/68/48/566106848.db2.gz ZVBYVLQRKWRIKB-AYDFFVQHSA-N 1 0 391.339 2.820 20 0 GFADRO Cc1oc(Br)cc1C(=O)N1CCc2[nH]cnc2C12CCOCC2 ZINC000633527715 566107895 /nfs/dbraw/zinc/10/78/95/566107895.db2.gz DOWUYVRCOZWRMH-UHFFFAOYSA-N 1 0 380.242 2.778 20 0 GFADRO [NH3+]C[C@H](NCc1ncc(Br)cc1Br)C(F)(F)F ZINC000656194650 566113137 /nfs/dbraw/zinc/11/31/37/566113137.db2.gz MPNFMJADFPXKBB-QMMMGPOBSA-N 1 0 377.002 2.586 20 0 GFADRO Cc1nn(-c2ccccc2Br)cc1C[N@@H+]1CC[C@@]2(CNC(=O)C2)C1 ZINC000656257782 566118430 /nfs/dbraw/zinc/11/84/30/566118430.db2.gz KMMXLKBUBFVJRD-GOSISDBHSA-N 1 0 389.297 2.655 20 0 GFADRO C[N@@H+]1CCC[C@H](NC(=O)Nc2ccnn2Cc2ccccc2Br)C1 ZINC000681778446 566124797 /nfs/dbraw/zinc/12/47/97/566124797.db2.gz PDAVNGSTOMATPK-AWEZNQCLSA-N 1 0 392.301 2.910 20 0 GFADRO Oc1ccc(C[NH2+]C[C@H](O)COc2ccc(I)cc2)cc1 ZINC000611526613 566135326 /nfs/dbraw/zinc/13/53/26/566135326.db2.gz WWFOOMDUBCKAAH-HNNXBMFYSA-N 1 0 399.228 2.526 20 0 GFADRO CS(=O)(=O)Nc1cccc(C[NH2+]C[C@@]2(O)CCC[C@@H](C(F)(F)F)C2)c1 ZINC000681983900 566136419 /nfs/dbraw/zinc/13/64/19/566136419.db2.gz RYFWWCFMRBBPTL-UKRRQHHQSA-N 1 0 380.432 2.631 20 0 GFADRO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)c1cnc2ncc(Br)cc2c1 ZINC000681992801 566136512 /nfs/dbraw/zinc/13/65/12/566136512.db2.gz YNJQOGYRAVGVJS-OAHLLOKOSA-N 1 0 375.270 2.606 20 0 GFADRO COC(=O)[C@H](c1cccc(Cl)c1Cl)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000611661676 566139848 /nfs/dbraw/zinc/13/98/48/566139848.db2.gz RMDGPPIKYZIMLA-ZOBUZTSGSA-N 1 0 387.307 2.739 20 0 GFADRO CCO[C@@H]1C[C@](CO)([NH2+]C[C@@H](O)COc2ccc(Cl)c(Cl)c2)C1(C)C ZINC000682043204 566141939 /nfs/dbraw/zinc/14/19/39/566141939.db2.gz IOQOVTKTQDZOLI-XHBKTUGNSA-N 1 0 392.323 2.889 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)N1CC[N@H+](CCO)C(C)(C)C1 ZINC000682050482 566142243 /nfs/dbraw/zinc/14/22/43/566142243.db2.gz OVIREMTWPUFZEW-UHFFFAOYSA-N 1 0 384.318 2.932 20 0 GFADRO C[NH+]1CCC(n2cc(NC(=O)C(=O)c3ccc(Br)cc3)cn2)CC1 ZINC000634090424 566142404 /nfs/dbraw/zinc/14/24/04/566142404.db2.gz XNCYRAFIBXYAPT-UHFFFAOYSA-N 1 0 391.269 2.734 20 0 GFADRO Cc1cc(Br)c(Cn2cnc3c(c2=O)CC[NH2+]CC3)cc1Cl ZINC000656613463 566146186 /nfs/dbraw/zinc/14/61/86/566146186.db2.gz YDIXUOLFKXNICO-UHFFFAOYSA-N 1 0 382.689 2.704 20 0 GFADRO COc1c(Cl)cc(NC(=O)C(=O)N[C@@H](C)C2CC[NH+](C)CC2)cc1Cl ZINC000682191560 566146299 /nfs/dbraw/zinc/14/62/99/566146299.db2.gz DFGYPFIMJAZRJW-JTQLQIEISA-N 1 0 388.295 2.787 20 0 GFADRO CC(C)[N@@H+]1CCC[C@@H](NS(=O)(=O)Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000682256185 566147476 /nfs/dbraw/zinc/14/74/76/566147476.db2.gz YGLCWCDUACTLGZ-CQSZACIVSA-N 1 0 380.432 2.877 20 0 GFADRO CN(CCCC[NH+](C)C)C(=O)C(=O)Nc1ccc(Cl)cc1Br ZINC000682282853 566148997 /nfs/dbraw/zinc/14/89/97/566148997.db2.gz UCQZZDIODKBIBF-UHFFFAOYSA-N 1 0 390.709 2.841 20 0 GFADRO CCOc1ccc(Br)cc1S(=O)(=O)NC[C@H]1CCC[N@@H+]1CC ZINC000612011307 566149001 /nfs/dbraw/zinc/14/90/01/566149001.db2.gz PKDGUMYXQUZOEJ-CYBMUJFWSA-N 1 0 391.331 2.610 20 0 GFADRO Cc1c(Br)cncc1C(=O)Nc1cc(N2CC[NH+](C)CC2)ccn1 ZINC000634194040 566149262 /nfs/dbraw/zinc/14/92/62/566149262.db2.gz IXCPYJHFQOZUSB-UHFFFAOYSA-N 1 0 390.285 2.552 20 0 GFADRO CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)Nc2ccc(F)cc2Br)C1 ZINC000682352212 566150184 /nfs/dbraw/zinc/15/01/84/566150184.db2.gz MMLKRPQSPOEJEC-LBPRGKRZSA-N 1 0 386.265 2.516 20 0 GFADRO Cc1c(Br)cncc1C(=O)NCCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000612057109 566150693 /nfs/dbraw/zinc/15/06/93/566150693.db2.gz OZKCPYZYESZEBW-STQMWFEESA-N 1 0 384.318 2.772 20 0 GFADRO CCO[C@@H](CC[NH+](C)C)CNC(=O)Cc1ccc(Br)cc1F ZINC000612101177 566151037 /nfs/dbraw/zinc/15/10/37/566151037.db2.gz HVCMQTRKPAKLFU-AWEZNQCLSA-N 1 0 375.282 2.604 20 0 GFADRO Cc1cc(NC(=O)C(=O)N2CCC[C@H]([NH2+]C(C)C)C2)ccc1Br ZINC000682355204 566151462 /nfs/dbraw/zinc/15/14/62/566151462.db2.gz KBUZQDRSAYCLGM-AWEZNQCLSA-N 1 0 382.302 2.685 20 0 GFADRO CC[C@H]([NH2+]C)C(=O)NC1CCN(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000634299697 566151696 /nfs/dbraw/zinc/15/16/96/566151696.db2.gz YNOQGGFAIPZXBT-HNNXBMFYSA-N 1 0 397.317 2.560 20 0 GFADRO CS(=O)(=O)C1(C[NH2+]C[C@@H](O)COCc2ccccc2Cl)CCCCC1 ZINC000656711916 566156826 /nfs/dbraw/zinc/15/68/26/566156826.db2.gz CDWDBWXGNDRRDH-MRXNPFEDSA-N 1 0 389.945 2.555 20 0 GFADRO CC1(C)C[C@H]([NH2+]CCNS(=O)(=O)c2cccc(Cl)c2Cl)CCO1 ZINC000634684781 566169210 /nfs/dbraw/zinc/16/92/10/566169210.db2.gz ZBMORZIPGHDUMS-LLVKDONJSA-N 1 0 381.325 2.819 20 0 GFADRO Cc1c2cc(C(=O)N[C@@H](C)[C@H]3CN(C)CCO3)[nH]c2ccc1Br ZINC000612669025 566170296 /nfs/dbraw/zinc/17/02/96/566170296.db2.gz CXNPXDMFBJOOAK-MEDUHNTESA-N 1 0 380.286 2.688 20 0 GFADRO C[C@](O)(C[C@@H](O)C[NH2+][C@@H]1CCN(c2ccccc2Br)C1)C1CC1 ZINC000634704145 566170360 /nfs/dbraw/zinc/17/03/60/566170360.db2.gz GSFBVNYKBUPTKA-RKVPGOIHSA-N 1 0 383.330 2.529 20 0 GFADRO OCC[C@@H]([NH2+]C[C@@H](O)COc1cc(Cl)cc(Cl)c1)C1CCOCC1 ZINC000634720774 566171739 /nfs/dbraw/zinc/17/17/39/566171739.db2.gz OYVSFPSQRGLVQF-NVXWUHKLSA-N 1 0 378.296 2.500 20 0 GFADRO C[C@](O)(C[C@@H](O)C[NH2+]CCc1c[nH]c2cccc(Br)c12)C1CC1 ZINC000634714909 566172018 /nfs/dbraw/zinc/17/20/18/566172018.db2.gz UGTNPNJURVGSAE-KDOFPFPSSA-N 1 0 381.314 2.975 20 0 GFADRO COC1([C@H](C)[NH2+]C[C@@H](O)COc2cc(Cl)cc(Cl)c2)CCOCC1 ZINC000634717867 566172249 /nfs/dbraw/zinc/17/22/49/566172249.db2.gz SHJZJCSFCCCSSK-SWLSCSKDSA-N 1 0 378.296 2.907 20 0 GFADRO COCC[C@H]([NH2+]C[C@H](O)CC1(O)CCOCC1)c1ccc(Cl)c(Cl)c1 ZINC000634714029 566172610 /nfs/dbraw/zinc/17/26/10/566172610.db2.gz FFUKUSBJJQVDPL-PBHICJAKSA-N 1 0 392.323 2.953 20 0 GFADRO CC[N@@H+]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC2CC2)C[C@@H]1C ZINC000612745873 566173281 /nfs/dbraw/zinc/17/32/81/566173281.db2.gz YTRFUYPNFXZMCC-LBPRGKRZSA-N 1 0 393.333 2.976 20 0 GFADRO OC[C@@H]([NH2+]C[C@H](O)COCc1cccs1)c1cccc(C(F)(F)F)c1 ZINC000634723690 566173784 /nfs/dbraw/zinc/17/37/84/566173784.db2.gz BCVRVEVBEKMULC-GOEBONIOSA-N 1 0 375.412 2.968 20 0 GFADRO CC[C@H](Cc1ccc(Br)cc1)[NH2+]C[C@H](O)CC1(O)CCOCC1 ZINC000634722820 566173830 /nfs/dbraw/zinc/17/38/30/566173830.db2.gz VMWZVWKASUYBAG-IAGOWNOFSA-N 1 0 386.330 2.652 20 0 GFADRO C[C@]([NH3+])(C(=O)N1CCO[C@@H](C(F)F)CC1)c1ccc(Br)cc1 ZINC000634753082 566175009 /nfs/dbraw/zinc/17/50/09/566175009.db2.gz YAELAKJNJHOUGK-IUODEOHRSA-N 1 0 377.229 2.506 20 0 GFADRO C[C@H](Cc1ccc(Br)cc1)[NH2+]CCS(=O)(=O)NC(C)(C)C ZINC000682906289 566176280 /nfs/dbraw/zinc/17/62/80/566176280.db2.gz DFZMHEXVGUVZNG-GFCCVEGCSA-N 1 0 377.348 2.688 20 0 GFADRO Cc1cc(F)c(Br)cc1S(=O)(=O)NC[C@H](C)[NH+]1CCCC1 ZINC000682927728 566176763 /nfs/dbraw/zinc/17/67/63/566176763.db2.gz YTZAZRIQBKMPQI-NSHDSACASA-N 1 0 379.295 2.659 20 0 GFADRO Cc1ccc(C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@H]2C)c(C)c1Br ZINC000682939578 566178212 /nfs/dbraw/zinc/17/82/12/566178212.db2.gz UKAVYJMXSKMNSS-CYBMUJFWSA-N 1 0 383.330 2.983 20 0 GFADRO C[C@@]1(NC(=O)NCCCOc2ncc(C(F)(F)F)cc2Cl)CC[NH2+]C1 ZINC000612895774 566179487 /nfs/dbraw/zinc/17/94/87/566179487.db2.gz KSYJGYIXQLATAE-CQSZACIVSA-N 1 0 380.798 2.574 20 0 GFADRO CN(C(=O)N[C@@H]1CC12CC[NH2+]CC2)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000612983560 566181318 /nfs/dbraw/zinc/18/13/18/566181318.db2.gz BHXFMJOVVOIQLW-OAGGEKHMSA-N 1 0 384.307 2.735 20 0 GFADRO COc1cc(Br)ccc1CCCNC(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000612979575 566181387 /nfs/dbraw/zinc/18/13/87/566181387.db2.gz GLSMYVIRKWMYEH-MRXNPFEDSA-N 1 0 396.329 2.832 20 0 GFADRO C[NH+](C)CC1(C(=O)Nc2cc(Br)ccc2N2CCOCC2)CC1 ZINC000635122311 566195358 /nfs/dbraw/zinc/19/53/58/566195358.db2.gz JUVOUKPTVAHARA-UHFFFAOYSA-N 1 0 382.302 2.566 20 0 GFADRO CN(CC1([NH+](C)C)CCC1)S(=O)(=O)Cc1cc(F)ccc1Br ZINC000656969028 566196489 /nfs/dbraw/zinc/19/64/89/566196489.db2.gz ZPLOGDXWKFDZLK-UHFFFAOYSA-N 1 0 393.322 2.834 20 0 GFADRO C[NH+](C)C[C@@H]1CN(C(=O)c2cc[nH]c(=O)c2Br)c2ccccc2O1 ZINC000683625779 566206690 /nfs/dbraw/zinc/20/66/90/566206690.db2.gz PMFUAXJAPOYEML-LLVKDONJSA-N 1 0 392.253 2.519 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@H](CNS(=O)(=O)c2cc3c(cc2Cl)OCCO3)C1 ZINC000657034378 566208993 /nfs/dbraw/zinc/20/89/93/566208993.db2.gz PLCVSXSTHBSUSB-GFCCVEGCSA-N 1 0 388.917 2.510 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@H](CNS(=O)(=O)Cc2cccc(Br)c2)C1 ZINC000657034631 566210904 /nfs/dbraw/zinc/21/09/04/566210904.db2.gz TXXMMFDVYPCRMZ-CQSZACIVSA-N 1 0 389.359 2.989 20 0 GFADRO O=S(=O)(NCC1CC[NH+](C2CCOCC2)CC1)c1cc(F)cc(Cl)c1 ZINC000657039404 566211427 /nfs/dbraw/zinc/21/14/27/566211427.db2.gz BJHQFEJLKJHTLZ-UHFFFAOYSA-N 1 0 390.908 2.648 20 0 GFADRO COc1cc(Cl)c(S(=O)(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)cc1OC ZINC000657061723 566216117 /nfs/dbraw/zinc/21/61/17/566216117.db2.gz OONIAJRUZRYBLG-NSHDSACASA-N 1 0 376.906 2.508 20 0 GFADRO C[NH+]1CC2(C1)CCN(C(=O)CCNc1ncc(C(F)(F)F)cc1Cl)C2 ZINC000683909211 566218639 /nfs/dbraw/zinc/21/86/39/566218639.db2.gz OXJRFUXIUGBOET-UHFFFAOYSA-N 1 0 376.810 2.720 20 0 GFADRO C[NH+]1CCC(N2CC[C@@H](NC(=O)c3cc(F)c(Cl)c(N)c3Cl)C2)CC1 ZINC000635549857 566218787 /nfs/dbraw/zinc/21/87/87/566218787.db2.gz AKBXJVAGEPWEFX-SNVBAGLBSA-N 1 0 389.302 2.613 20 0 GFADRO COc1cc(Br)c(S(=O)(=O)NCC[C@H](C)[NH+](C)C)cc1Cl ZINC000657093842 566222192 /nfs/dbraw/zinc/22/21/92/566222192.db2.gz ZWNCGKGSINLLGW-VIFPVBQESA-N 1 0 399.738 2.730 20 0 GFADRO Cn1cc(CCC(=O)Nc2ncccc2C[NH+]2CCc3ccccc3CC2)cn1 ZINC000363729467 570506134 /nfs/dbraw/zinc/50/61/34/570506134.db2.gz OJTSXRJTYVVEAZ-UHFFFAOYSA-N 1 0 389.503 2.987 20 0 GFADRO C[C@]1(c2ccccc2)CCC[N@H+](CC(=O)NCc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000736229216 598833196 /nfs/dbraw/zinc/83/31/96/598833196.db2.gz MGGFJQLLBWSJOZ-QFIPXVFZSA-N 1 0 390.491 2.537 20 0 GFADRO Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)n1C[NH+]1CCC(OCC(C)C)CC1 ZINC000737523924 598851810 /nfs/dbraw/zinc/85/18/10/598851810.db2.gz LSMIVVWAWILLJB-UHFFFAOYSA-N 1 0 396.499 2.528 20 0 GFADRO C[N@H+](CCOc1cccc(-c2nn[nH]n2)c1)C1CCN(Cc2ccccc2)CC1 ZINC000736801415 598898483 /nfs/dbraw/zinc/89/84/83/598898483.db2.gz JZFHWOIHJUQLSC-UHFFFAOYSA-N 1 0 392.507 2.842 20 0 GFADRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000736289181 598943282 /nfs/dbraw/zinc/94/32/82/598943282.db2.gz KIPPYQNOIDGLEK-INIZCTEOSA-N 1 0 376.464 2.603 20 0 GFADRO Cc1ccccc1C[C@H]1CCC[N@@H+]1CC(=O)Nc1sccc1-c1nn[nH]n1 ZINC000737427568 598947756 /nfs/dbraw/zinc/94/77/56/598947756.db2.gz SOHXPFRBBRCLJU-OAHLLOKOSA-N 1 0 382.493 2.882 20 0 GFADRO Cc1cc(C)cc([C@@H](C)[NH2+][C@H]2CCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)c1 ZINC000737252516 598961570 /nfs/dbraw/zinc/96/15/70/598961570.db2.gz IIZPCXBFOBTRJI-BEFAXECRSA-N 1 0 376.464 2.940 20 0 GFADRO C[C@@H](O)C[C@H](C)C[NH2+]Cc1cccc(OCc2cccc(-c3nn[nH]n3)c2)c1 ZINC000736142752 599010650 /nfs/dbraw/zinc/01/06/50/599010650.db2.gz GQVDFGSLUSGVHB-JKSUJKDBSA-N 1 0 381.480 2.942 20 0 GFADRO COc1cccc([C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)N2CCCC2)c1 ZINC000737127061 599014142 /nfs/dbraw/zinc/01/41/42/599014142.db2.gz OSISMDWUAPYDFN-HXUWFJFHSA-N 1 0 378.480 2.802 20 0 GFADRO CCOCCC[N@@H+]1CC[C@H](Nc2snc(Cl)c2-c2nn[nH]n2)[C@H](C)C1 ZINC000736614848 599063613 /nfs/dbraw/zinc/06/36/13/599063613.db2.gz IOEAJTHNMZYYLI-MNOVXSKESA-N 1 0 385.925 2.526 20 0 GFADRO OCCO[C@H]1CCC[N@H+](Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)C1 ZINC000738392781 599079035 /nfs/dbraw/zinc/07/90/35/599079035.db2.gz BJHCYEDZROSJEH-SFHVURJKSA-N 1 0 379.464 2.507 20 0 GFADRO C[N@@H+]1CCC[C@H](CNC(=O)c2cccc(-c3nn[nH]n3)c2)[C@@H]1c1cccs1 ZINC000736857532 599085460 /nfs/dbraw/zinc/08/54/60/599085460.db2.gz OOAIJSRSMHKYFT-NVXWUHKLSA-N 1 0 382.493 2.741 20 0 GFADRO NC(=O)[C@@H](Nc1ccc([NH+]2CCCCCC2)cc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000737736878 599098619 /nfs/dbraw/zinc/09/86/19/599098619.db2.gz LZULILYNAXHPJS-IBGZPJMESA-N 1 0 391.479 2.886 20 0 GFADRO COc1cc(-c2nn[nH]n2)ccc1OCC[NH2+][C@@H](c1ncccc1C)C(C)C ZINC000737032142 599133208 /nfs/dbraw/zinc/13/32/08/599133208.db2.gz IKFOBSWWOCUBNY-GOSISDBHSA-N 1 0 382.468 2.944 20 0 GFADRO c1cn(C[N@@H+]2CCCC3(CCOCC3)C2)nc1-c1ccc(-c2nn[nH]n2)cc1 ZINC000738407165 599252463 /nfs/dbraw/zinc/25/24/63/599252463.db2.gz XUWRRLLMWIOOLA-UHFFFAOYSA-N 1 0 379.468 2.580 20 0 GFADRO Cc1c(NC(=O)N(CC[NH+](C)C)Cc2cccc(F)c2)cccc1-c1nn[nH]n1 ZINC000822084479 607284964 /nfs/dbraw/zinc/28/49/64/607284964.db2.gz KVTOCFMDASQMGT-UHFFFAOYSA-N 1 0 397.458 2.910 20 0 GFADRO C[C@@](CO)([NH2+]Cc1ccccc1-c1nn[nH]n1)c1cccc(C(F)(F)F)c1 ZINC000736038322 599270776 /nfs/dbraw/zinc/27/07/76/599270776.db2.gz UGXIYAQPFPMUBP-KRWDZBQOSA-N 1 0 377.370 2.883 20 0 GFADRO COc1ccc(C[NH2+][C@@H]2CCCc3c2cnn3C(C)(C)C)cc1-c1nn[nH]n1 ZINC000737092820 599284661 /nfs/dbraw/zinc/28/46/61/599284661.db2.gz OXZGNBDMDNRQFG-MRXNPFEDSA-N 1 0 381.484 2.994 20 0 GFADRO Cc1ccccc1[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2-c2nn[nH]n2)C1 ZINC000737423414 598255132 /nfs/dbraw/zinc/25/51/32/598255132.db2.gz PNBFSKPJSMWTBW-JKSUJKDBSA-N 1 0 376.464 2.992 20 0 GFADRO CC(C)CN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000735830860 598256475 /nfs/dbraw/zinc/25/64/75/598256475.db2.gz KLGHJXJIRLGEHX-UHFFFAOYSA-N 1 0 399.543 2.909 20 0 GFADRO C[N@@H+]1CCC[C@H](NC(=O)Nc2cccc(Oc3ccc(-c4nn[nH]n4)cc3)c2)C1 ZINC000736859186 598266906 /nfs/dbraw/zinc/26/69/06/598266906.db2.gz XHGHSHUUJCEVJE-INIZCTEOSA-N 1 0 393.451 2.875 20 0 GFADRO COc1ccc(CC[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)cc1OC(F)F ZINC000737090504 598275356 /nfs/dbraw/zinc/27/53/56/598275356.db2.gz QQIHMJFQRZKOQB-UHFFFAOYSA-N 1 0 375.379 2.809 20 0 GFADRO O=C(CC[N@@H+]1CCCO[C@@H](c2ccccc2)C1)Nc1sccc1-c1nn[nH]n1 ZINC000737844931 598311914 /nfs/dbraw/zinc/31/19/14/598311914.db2.gz XBRKCVJGXDLOBM-MRXNPFEDSA-N 1 0 398.492 2.720 20 0 GFADRO C[C@@H](C[NH+]1CCCCC1)NC(=S)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000736003099 598320327 /nfs/dbraw/zinc/32/03/27/598320327.db2.gz WHPCXGZCDMKSHO-NSHDSACASA-N 1 0 379.921 2.681 20 0 GFADRO COCCN1CC[N@H+](Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)C[C@H]1C ZINC000737003264 598367534 /nfs/dbraw/zinc/36/75/34/598367534.db2.gz FUYKIRKAEHDSQI-QGZVFWFLSA-N 1 0 392.507 2.686 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)c2ccc(-c3nn[nH]n3)cn2)cc1 ZINC000736267844 598445547 /nfs/dbraw/zinc/44/55/47/598445547.db2.gz PPEQYAYOMGGGBA-CQSZACIVSA-N 1 0 377.452 2.888 20 0 GFADRO Cc1cc(NC2CCN(c3ccc(-c4nn[nH]n4)cn3)CC2)c2ccccc2[nH+]1 ZINC000737273669 598458611 /nfs/dbraw/zinc/45/86/11/598458611.db2.gz IAULDARBIBBNBN-UHFFFAOYSA-N 1 0 386.463 2.621 20 0 GFADRO O=C(C[N@@H+]1CCC[C@@H](c2ccccc2)CC1)NCc1cccc(-c2nn[nH]n2)c1 ZINC000737876951 598463249 /nfs/dbraw/zinc/46/32/49/598463249.db2.gz LDGBVFXGIHPXTK-LJQANCHMSA-N 1 0 390.491 2.753 20 0 GFADRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000736252966 598483270 /nfs/dbraw/zinc/48/32/70/598483270.db2.gz SIPMMJDLQOIOGX-TXEJJXNPSA-N 1 0 377.880 2.905 20 0 GFADRO C[C@@H]([NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1ccc(Cl)c(Cl)c1 ZINC000736134163 598517241 /nfs/dbraw/zinc/51/72/41/598517241.db2.gz JTPYXUULWXOCCY-ZJUUUORDSA-N 1 0 393.282 2.763 20 0 GFADRO CCc1ccc([C@@H]([NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)C(C)C)cc1 ZINC000736686510 598518858 /nfs/dbraw/zinc/51/88/58/598518858.db2.gz OSVWVWYUKJHEBG-QAPCUYQASA-N 1 0 380.500 2.654 20 0 GFADRO CCC(CC)[C@@H]([NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1cccs1 ZINC000736337282 598527409 /nfs/dbraw/zinc/52/74/09/598527409.db2.gz JJFOKNAHTFMSCU-BLLLJJGKSA-N 1 0 386.529 2.934 20 0 GFADRO CC1(C)CC[C@@H]([NH2+]C[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)c2ccccc21 ZINC000736210224 598530416 /nfs/dbraw/zinc/53/04/16/598530416.db2.gz HFEFGGYHEUXRRS-SUMWQHHRSA-N 1 0 378.484 2.507 20 0 GFADRO Cc1ccc(C)c(CC(=O)N(CC[NH+](C)C)Cc2cccc(-c3nn[nH]n3)c2)c1 ZINC000737323168 598550049 /nfs/dbraw/zinc/55/00/49/598550049.db2.gz PWDRUHJZVADYJR-UHFFFAOYSA-N 1 0 392.507 2.616 20 0 GFADRO Cc1nccn1CC[NH2+]Cc1cccc(OCc2ccccc2-c2nn[nH]n2)c1 ZINC000737502012 598561941 /nfs/dbraw/zinc/56/19/41/598561941.db2.gz YMYBBPOOPUXXNR-UHFFFAOYSA-N 1 0 389.463 2.740 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)Nc1ccc(F)c(-c2nn[nH]n2)c1)c1ccc(F)cc1 ZINC000736762802 598629507 /nfs/dbraw/zinc/62/95/07/598629507.db2.gz XHXWUUHMDBXXRP-MRXNPFEDSA-N 1 0 387.394 2.569 20 0 GFADRO O=C(Cc1ccc(-c2nn[nH]n2)cc1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000737962119 598669618 /nfs/dbraw/zinc/66/96/18/598669618.db2.gz PANKUENEDCCZKW-SFHVURJKSA-N 1 0 382.512 2.524 20 0 GFADRO CN(CC1CC[NH+](C[C@H](O)c2ccccc2)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000736790085 598672465 /nfs/dbraw/zinc/67/24/65/598672465.db2.gz FSBZBWSAPUYHEI-NRFANRHFSA-N 1 0 392.507 2.749 20 0 GFADRO CNC(=O)c1ccc(C[N@H+](Cc2ccc(F)cc2-c2nn[nH]n2)C2CC2)cc1 ZINC000736877072 598680595 /nfs/dbraw/zinc/68/05/95/598680595.db2.gz HAUCMCFYYWKZHC-UHFFFAOYSA-N 1 0 380.427 2.530 20 0 GFADRO Brc1ccc(N2CC[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)cc1 ZINC000735367951 598697498 /nfs/dbraw/zinc/69/74/98/598697498.db2.gz BYCYSVPMDJJHMG-MRXNPFEDSA-N 1 0 399.296 2.998 20 0 GFADRO C[C@@H](CC[NH+](C)C)NC(=O)c1cccc(Oc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000735984733 598700891 /nfs/dbraw/zinc/70/08/91/598700891.db2.gz CKUBNEHIZCQKQX-AWEZNQCLSA-N 1 0 380.452 2.729 20 0 GFADRO CC[C@H](C)C[N@H+](C)CC(=O)Nc1c(-c2nn[nH]n2)c(C)c(C)n1Cc1ccco1 ZINC000736323182 598703110 /nfs/dbraw/zinc/70/31/10/598703110.db2.gz VKIDWEXXSYWBQI-ZDUSSCGKSA-N 1 0 399.499 2.843 20 0 GFADRO C[C@@H](CNC(=O)N[C@@H](C)c1ccc(-c2nn[nH]n2)cc1)[N@H+](C)Cc1ccccc1 ZINC000736118920 598715205 /nfs/dbraw/zinc/71/52/05/598715205.db2.gz PZCSSHPKDMLZJG-HOTGVXAUSA-N 1 0 393.495 2.747 20 0 GFADRO CC[N@@H+]1CCCC[C@H]1CNC(=O)N(Cc1ccc(-c2nn[nH]n2)cc1)CC(C)C ZINC000736569017 598716895 /nfs/dbraw/zinc/71/68/95/598716895.db2.gz FRHRHCYHUUNKLO-IBGZPJMESA-N 1 0 399.543 2.909 20 0 GFADRO CC[N@H+](C)Cc1cccc(CNC(=O)Nc2cc(-c3nn[nH]n3)ccc2OC)c1 ZINC000736510058 598730474 /nfs/dbraw/zinc/73/04/74/598730474.db2.gz PGRZRBRLQPNTBL-UHFFFAOYSA-N 1 0 395.467 2.649 20 0 GFADRO Cc1ccccc1[C@H](CC(C)C)[NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000737424020 598778588 /nfs/dbraw/zinc/77/85/88/598778588.db2.gz UERPDGYTVVFDRG-QAPCUYQASA-N 1 0 380.500 2.790 20 0 GFADRO Cc1cccnc1[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1-c1nn[nH]n1)C(C)C ZINC000737436040 599355882 /nfs/dbraw/zinc/35/58/82/599355882.db2.gz QNECVTSGNZQFOL-YOEHRIQHSA-N 1 0 379.468 2.884 20 0 GFADRO C[C@@H]([NH2+]Cc1cc(F)ccc1N1CCOCC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000820427525 599378140 /nfs/dbraw/zinc/37/81/40/599378140.db2.gz SEFUGDXQXPZVFK-CQSZACIVSA-N 1 0 382.443 2.693 20 0 GFADRO CC(C)(C)[NH2+]CCNC(=O)c1ccc(Oc2cccc(F)c2-c2nn[nH]n2)cc1 ZINC000819923251 599381643 /nfs/dbraw/zinc/38/16/43/599381643.db2.gz WVIZTKRAKNKQSI-UHFFFAOYSA-N 1 0 398.442 2.916 20 0 GFADRO COc1ccc(C[NH2+]CC(C)(C)c2ccc3c(c2)OCO3)cc1-c1nn[nH]n1 ZINC000821809112 599420617 /nfs/dbraw/zinc/42/06/17/599420617.db2.gz MGCFLEKDUKYKGG-UHFFFAOYSA-N 1 0 381.436 2.671 20 0 GFADRO CCc1nc2ccccc2n1CC[NH2+]Cc1ccc(OC)c(-c2nn[nH]n2)c1 ZINC000821508750 599422449 /nfs/dbraw/zinc/42/24/49/599422449.db2.gz AFCIJMZWSZSTMI-UHFFFAOYSA-N 1 0 377.452 2.577 20 0 GFADRO Brc1ccccc1N1CC[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)o2)C1 ZINC000819688055 599434722 /nfs/dbraw/zinc/43/47/22/599434722.db2.gz CJCGKKKXCDXIGF-NSHDSACASA-N 1 0 389.257 2.591 20 0 GFADRO C[C@@H](CNc1c(-c2nn[nH]n2)cnc2c(F)ccc(F)c21)[N@@H+]1CCC[C@H](C)C1 ZINC000820711217 599477754 /nfs/dbraw/zinc/47/77/54/599477754.db2.gz VKJUUPPJEPDSGZ-RYUDHWBXSA-N 1 0 387.438 2.647 20 0 GFADRO Cc1oc(NC(=O)C[N@@H+]2CC[C@H](Cc3ccc(F)cc3)C2)c(-c2nn[nH]n2)c1C ZINC000737551043 599478391 /nfs/dbraw/zinc/47/83/91/599478391.db2.gz CSGIOFDSLZBWIA-OAHLLOKOSA-N 1 0 398.442 2.719 20 0 GFADRO CCc1ccc(C[NH+]2CCN(c3nc(C)cc(C)c3-c3nn[nH]n3)CC2)s1 ZINC000736688831 599528389 /nfs/dbraw/zinc/52/83/89/599528389.db2.gz GOBQVNCBUBEAHI-UHFFFAOYSA-N 1 0 383.525 2.825 20 0 GFADRO c1ccc(C[C@H]2CC[N@@H+](Cc3nnc(-c4ccc(-c5nn[nH]n5)cc4)o3)C2)cc1 ZINC000823779460 599579132 /nfs/dbraw/zinc/57/91/32/599579132.db2.gz DNVDKASVWRDJJO-MRXNPFEDSA-N 1 0 387.447 2.981 20 0 GFADRO c1[nH]c2ncccc2c1C1=CC[N@H+](CCOc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000735399138 599580011 /nfs/dbraw/zinc/58/00/11/599580011.db2.gz IXYMUDSRFNAQTQ-UHFFFAOYSA-N 1 0 387.447 2.911 20 0 GFADRO c1[nH]c2ncccc2c1C1=CC[N@H+](CCOc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000735397526 599580209 /nfs/dbraw/zinc/58/02/09/599580209.db2.gz CKUQGWPRMNLUEE-UHFFFAOYSA-N 1 0 387.447 2.911 20 0 GFADRO Cc1ccccc1[C@@H]1C[C@@H](C)[N@@H+](C[C@@H](O)COc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000737421445 599584984 /nfs/dbraw/zinc/58/49/84/599584984.db2.gz NHLADLIHXZVMKC-BHIYHBOVSA-N 1 0 393.491 2.793 20 0 GFADRO C[C@@H]1CCN(CCOc2ccccc2-c2nn[nH]n2)CC[N@@H+]1Cc1ccccc1 ZINC000820722867 599591758 /nfs/dbraw/zinc/59/17/58/599591758.db2.gz QNAJIYPUPYKVME-GOSISDBHSA-N 1 0 392.507 2.842 20 0 GFADRO O=C(c1ccccc1)N1CCC(C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000738277336 599600340 /nfs/dbraw/zinc/60/03/40/599600340.db2.gz BOZKXNPHJZVTSI-UHFFFAOYSA-N 1 0 376.464 2.509 20 0 GFADRO CC[C@@]1(C)CCC[N@H+](CC(=O)Nc2c(-c3nn[nH]n3)cnn2-c2ccccc2)C1 ZINC000820951354 599643629 /nfs/dbraw/zinc/64/36/29/599643629.db2.gz YIXBAHCTKQORGP-FQEVSTJZSA-N 1 0 394.483 2.503 20 0 GFADRO CO[C@]1(C)C[C@H]([NH2+][C@@H](C)C(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)C1(C)C ZINC000821679190 599664747 /nfs/dbraw/zinc/66/47/47/599664747.db2.gz YGNKQLFJYZLDTG-MWJQBAMBSA-N 1 0 392.891 2.640 20 0 GFADRO CCCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)NCCC1CC[NH+](CC)CC1 ZINC000821104673 599676987 /nfs/dbraw/zinc/67/69/87/599676987.db2.gz MIRVJWCLLFBHID-UHFFFAOYSA-N 1 0 399.543 2.910 20 0 GFADRO CC(C)[N@H+](C)CC1CCN(C(=O)N[C@H](C)c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000820341642 599680705 /nfs/dbraw/zinc/68/07/05/599680705.db2.gz QXBMZKRUKGROBH-OAHLLOKOSA-N 1 0 385.516 2.690 20 0 GFADRO O=C([O-])[C@H]([NH2+]CC1CC[NH+](C[C@H](O)c2ccccc2)CC1)c1ccc(F)cc1 ZINC000739505682 600182234 /nfs/dbraw/zinc/18/22/34/600182234.db2.gz DVOPNNQRGZSQBK-LEWJYISDSA-N 1 0 386.467 2.987 20 0 GFADRO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2C(=O)c1ccc(-c2nn[nH]n2)cc1C ZINC000826293827 607431173 /nfs/dbraw/zinc/43/11/73/607431173.db2.gz CDLLADVHSLVFTD-ICSRJNTNSA-N 1 0 388.475 2.932 20 0 GFADRO CC(C)Oc1ccc(NC(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@H]2C)cc1-c1nn[nH]n1 ZINC000820164728 607432764 /nfs/dbraw/zinc/43/27/64/607432764.db2.gz KYWGOQIYHDKDNV-CZUORRHYSA-N 1 0 387.488 2.504 20 0 GFADRO CS[C@H]1CCCC[N@H+](CC(=O)Nc2sc(C)c(C)c2-c2nn[nH]n2)C1 ZINC000826227756 607475233 /nfs/dbraw/zinc/47/52/33/607475233.db2.gz XFOOTLRZHUAUCK-LBPRGKRZSA-N 1 0 380.543 2.701 20 0 GFADRO CC(C)(C)OC(=O)N1CCCC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC000819933397 607480200 /nfs/dbraw/zinc/48/02/00/607480200.db2.gz QDEHFONRMICIHC-HNNXBMFYSA-N 1 0 390.463 2.885 20 0 GFADRO COc1ccc(C[NH+]2CCC(C(=O)Nc3ccccc3)CC2)cc1-c1nn[nH]n1 ZINC000826193792 607480648 /nfs/dbraw/zinc/48/06/48/607480648.db2.gz PEJCTNMWXZKAPF-UHFFFAOYSA-N 1 0 392.463 2.726 20 0 GFADRO COc1cccc(N2CC[C@H](C[NH2+]Cc3ccc(-c4nn[nH]n4)cc3F)C2)c1 ZINC000821873813 607479722 /nfs/dbraw/zinc/47/97/22/607479722.db2.gz YOLHFGJYIOOYCG-CQSZACIVSA-N 1 0 382.443 2.631 20 0 GFADRO COc1ccc(C[N@@H+]2CCC[C@H]2C[C@@H](O)c2ccccc2)cc1-c1nn[nH]n1 ZINC000826194421 607509037 /nfs/dbraw/zinc/50/90/37/607509037.db2.gz LEEIGDKIGFKOCA-PKOBYXMFSA-N 1 0 379.464 2.963 20 0 GFADRO COc1ccc(C[N@H+](C)[C@@H]2CCCN(c3ccccc3)C2)cc1-c1nn[nH]n1 ZINC000826192237 607510938 /nfs/dbraw/zinc/51/09/38/607510938.db2.gz FUOWOGVGHXAGRO-GOSISDBHSA-N 1 0 378.480 2.976 20 0 GFADRO c1cc(C[NH2+]C2(c3ccc4c(c3)OCCO4)CCCC2)cc(-c2nn[nH]n2)n1 ZINC000826516146 607518886 /nfs/dbraw/zinc/51/88/86/607518886.db2.gz YNRXJGUSASASIK-UHFFFAOYSA-N 1 0 378.436 2.592 20 0 GFADRO COc1ccc(-c2nn[nH]n2)cc1C[N@@H+]1CC[C@H](CNc2cc(C)ccn2)C1 ZINC000826182454 607527208 /nfs/dbraw/zinc/52/72/08/607527208.db2.gz KGQYAFJGMAMYCG-OAHLLOKOSA-N 1 0 379.468 2.513 20 0 GFADRO COc1ccc(C[NH2+]Cc2c[nH]nc2-c2ccc(F)cc2)cc1-c1nn[nH]n1 ZINC000826202644 607569538 /nfs/dbraw/zinc/56/95/38/607569538.db2.gz HDOSZLAMFZVHNG-UHFFFAOYSA-N 1 0 379.399 2.694 20 0 GFADRO COc1ccc(C[NH2+]Cc2c[nH]nc2-c2c(F)cccc2F)cc1-c1nn[nH]n1 ZINC000826202981 607570095 /nfs/dbraw/zinc/57/00/95/607570095.db2.gz VDRGXZDWTCRIQB-UHFFFAOYSA-N 1 0 397.389 2.833 20 0 GFADRO CN1CCC([NH+]2CCC(CC[N@H+](C)CC3CCN(C(=O)[O-])CC3)CC2)CC1 ZINC000828465517 604238309 /nfs/dbraw/zinc/23/83/09/604238309.db2.gz INMBBMSYEAIQSD-UHFFFAOYSA-N 1 0 380.577 2.505 20 0 GFADRO COc1cc(OC)cc([C@@H](C(=O)[O-])[N@@H+]2CC[C@H](CNc3cc(C)cc[nH+]3)C2)c1 ZINC000832040974 604464720 /nfs/dbraw/zinc/46/47/20/604464720.db2.gz MOLCXIFGQFNKAS-QRWLVFNGSA-N 1 0 385.464 2.967 20 0 GFADRO Cc1cc(-c2nn[nH]n2)ccc1C(=O)N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000826244145 607698047 /nfs/dbraw/zinc/69/80/47/607698047.db2.gz IGASIEGNQJONTA-KRWDZBQOSA-N 1 0 390.491 2.912 20 0 GFADRO O=C([O-])CCC[NH+]1CCC([NH2+]Cc2ccc(NC(=O)c3ccncc3)cc2)CC1 ZINC000833772847 605222635 /nfs/dbraw/zinc/22/26/35/605222635.db2.gz CRICQDDTJGPBNF-UHFFFAOYSA-N 1 0 396.491 2.753 20 0 GFADRO C[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)C[N@@H+]1Cc1cc(-c2nn[nH]n2)ccc1F ZINC000824882381 607750188 /nfs/dbraw/zinc/75/01/88/607750188.db2.gz AVBWTZIQGGOTIP-STQMWFEESA-N 1 0 390.463 2.741 20 0 GFADRO CC1CC[NH+](C2CCC(NC(=O)Cc3ccc(-c4nn[nH]n4)cc3)CC2)CC1 ZINC000824956502 607771251 /nfs/dbraw/zinc/77/12/51/607771251.db2.gz SECLFMMYIKQDJM-UHFFFAOYSA-N 1 0 382.512 2.569 20 0 GFADRO C[NH+]1CCC(C(=O)NCc2cccc(-c3ccc(-c4nn[nH]n4)s3)c2)CC1 ZINC000821622109 606020531 /nfs/dbraw/zinc/02/05/31/606020531.db2.gz SBHJJSHHNWQOMQ-UHFFFAOYSA-N 1 0 382.493 2.553 20 0 GFADRO C[C@@H](NC(=O)c1ccc(Nc2cc[nH+]cc2)cc1)c1cccc(-c2nn[nH]n2)c1 ZINC000820396562 606025452 /nfs/dbraw/zinc/02/54/52/606025452.db2.gz GPFJNKGOTRZEAF-CQSZACIVSA-N 1 0 385.431 2.918 20 0 GFADRO Cc1cc(C)c2ncc(-c3nn[nH]n3)c(N3CC[NH+](CCOC(C)C)CC3)c2c1 ZINC000822195049 606042516 /nfs/dbraw/zinc/04/25/16/606042516.db2.gz FJSKIHAUSKMIFE-UHFFFAOYSA-N 1 0 395.511 2.579 20 0 GFADRO CC[C@H]([NH2+][C@@H](C)C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)C1CCOCC1 ZINC000820921081 606048500 /nfs/dbraw/zinc/04/85/00/606048500.db2.gz VLXSBXHVRZFHDQ-ZBEGNZNMSA-N 1 0 392.891 2.642 20 0 GFADRO c1ccc(C[NH+]2CCC(Nc3nc4ccccc4cc3-c3nn[nH]n3)CC2)nc1 ZINC000823779751 606054074 /nfs/dbraw/zinc/05/40/74/606054074.db2.gz IEDJJZMWDNHBRG-UHFFFAOYSA-N 1 0 386.463 2.886 20 0 GFADRO CCC[N@H+](CC)CCNC(=O)N(Cc1ccc(-c2nn[nH]n2)cc1)CC(C)C ZINC000821094319 606118153 /nfs/dbraw/zinc/11/81/53/606118153.db2.gz GMYVYYFNDUOBGN-UHFFFAOYSA-N 1 0 387.532 2.766 20 0 GFADRO Cc1cc(C)c(-c2nn[nH]n2)c(N2CCC([NH2+]CCOc3ccccc3)CC2)n1 ZINC000822191028 606126723 /nfs/dbraw/zinc/12/67/23/606126723.db2.gz DZAIKWISYILGCM-UHFFFAOYSA-N 1 0 393.495 2.516 20 0 GFADRO CC[NH+](CC)CCO[C@@H]1CCN(c2ccc(-c3nn[nH]n3)cc2C(F)(F)F)C1 ZINC000821188876 606140541 /nfs/dbraw/zinc/14/05/41/606140541.db2.gz DRGVTGHPGOGYKU-CQSZACIVSA-N 1 0 398.433 2.823 20 0 GFADRO O=C(CC[N@@H+]1CCSC2(CCCCC2)C1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000822969097 606186681 /nfs/dbraw/zinc/18/66/81/606186681.db2.gz HTXSTYKTGCBTPI-UHFFFAOYSA-N 1 0 386.525 2.947 20 0 GFADRO CC(C)(C)[C@H]1CCCC[C@H]1[NH2+]CCS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000819907288 606186685 /nfs/dbraw/zinc/18/66/85/606186685.db2.gz MUNYULCSRMXFIO-DLBZAZTESA-N 1 0 391.541 2.835 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)c2cccc(-c3nn[nH]n3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000820659213 606187776 /nfs/dbraw/zinc/18/77/76/606187776.db2.gz XGPYMGHIMMGJOE-BEFAXECRSA-N 1 0 376.464 2.650 20 0 GFADRO C[C@H]1C[C@@H](NC(=O)Cc2cccc(-c3nn[nH]n3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000820658363 606188343 /nfs/dbraw/zinc/18/83/43/606188343.db2.gz RPXBMKBBUDTJQL-JXFKEZNVSA-N 1 0 390.491 2.579 20 0 GFADRO C[C@H]1C[C@H](NC(=O)c2sccc2-c2nn[nH]n2)CC[N@@H+]1Cc1ccccc1 ZINC000820659108 606189448 /nfs/dbraw/zinc/18/94/48/606189448.db2.gz WKMLBRLOMHYCON-DZGCQCFKSA-N 1 0 382.493 2.711 20 0 GFADRO O=C(Nc1cccc(C[NH2+]Cc2cc(-c3nn[nH]n3)cs2)c1)c1ccccn1 ZINC000823363792 606212018 /nfs/dbraw/zinc/21/20/18/606212018.db2.gz NOEPCYGOUOEBHH-UHFFFAOYSA-N 1 0 391.460 2.865 20 0 GFADRO C[NH+](C)CCN(CCCc1ccccc1)c1ncc(-c2nn[nH]n2)cc1Cl ZINC000821586123 606224396 /nfs/dbraw/zinc/22/43/96/606224396.db2.gz KUSPTKPXNLJLPQ-UHFFFAOYSA-N 1 0 385.903 2.916 20 0 GFADRO COC(=O)[C@@H](c1cccc(-c2nn[nH]n2)c1)[N@@H+]1CC[C@@H](c2ccccc2C)C1 ZINC000821651650 606319200 /nfs/dbraw/zinc/31/92/00/606319200.db2.gz CZTGTNRITNNAMG-IEBWSBKVSA-N 1 0 377.448 2.879 20 0 GFADRO CC(C)(C)OC(=O)NC[C@@](C)([NH2+]Cc1ccc(-c2nn[nH]n2)s1)C1CC1 ZINC000819939922 606337245 /nfs/dbraw/zinc/33/72/45/606337245.db2.gz LNVNQYJDPKUKCC-QGZVFWFLSA-N 1 0 378.502 2.711 20 0 GFADRO O=C(NCCCCC[NH+]1CCCCC1)Nc1ccc(F)cc1-c1nn[nH]n1 ZINC000823188081 606355026 /nfs/dbraw/zinc/35/50/26/606355026.db2.gz UPOARJVPHOHOEX-UHFFFAOYSA-N 1 0 375.452 2.784 20 0 GFADRO CC[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)N[C@@H](C)c1cccc(-c2nn[nH]n2)c1 ZINC000821002277 606393708 /nfs/dbraw/zinc/39/37/08/606393708.db2.gz VLRKEVAKIGPOJI-BMGDILEWSA-N 1 0 383.500 2.586 20 0 GFADRO COc1ccc(CC[NH2+]Cc2ccc(-c3nn[nH]n3)s2)cc1OC(F)F ZINC000821790253 606414827 /nfs/dbraw/zinc/41/48/27/606414827.db2.gz LCGRNSLXURSOPU-UHFFFAOYSA-N 1 0 381.408 2.871 20 0 GFADRO COc1cccc([C@@H](C)[NH2+]C2CCN(c3ccc(-c4nn[nH]n4)cn3)CC2)c1 ZINC000821860169 606428386 /nfs/dbraw/zinc/42/83/86/606428386.db2.gz YJDUMMBUWSFPKL-CQSZACIVSA-N 1 0 379.468 2.590 20 0 GFADRO O=C(Cc1cccc(-c2nn[nH]n2)c1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000823108273 606539726 /nfs/dbraw/zinc/53/97/26/606539726.db2.gz KWEZIUIEEKYBOA-UHFFFAOYSA-N 1 0 394.504 2.597 20 0 GFADRO O=C(NCC1CC[NH+](Cc2cccs2)CC1)c1ccc(-c2nn[nH]n2)s1 ZINC000823176283 606540444 /nfs/dbraw/zinc/54/04/44/606540444.db2.gz QZYRLUZYXLLGEQ-UHFFFAOYSA-N 1 0 388.522 2.632 20 0 GFADRO CC(C)[N@H+](C)Cc1cccc(CNC(=O)Cc2cccc(-c3nn[nH]n3)c2)c1 ZINC000820112088 606556033 /nfs/dbraw/zinc/55/60/33/606556033.db2.gz JCKFHDJINQMTIR-UHFFFAOYSA-N 1 0 378.480 2.566 20 0 GFADRO CN(C(=O)c1ccc(-c2nn[nH]n2)s1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000821573638 606580910 /nfs/dbraw/zinc/58/09/10/606580910.db2.gz YIIQRUPFXGOMNG-OAHLLOKOSA-N 1 0 382.493 2.665 20 0 GFADRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1sccc1-c1nn[nH]n1 ZINC000820759662 606583985 /nfs/dbraw/zinc/58/39/85/606583985.db2.gz MQHKRUHTZQJZNL-XJKSGUPXSA-N 1 0 382.493 2.569 20 0 GFADRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1ccc(-c2nn[nH]n2)s1 ZINC000820761255 606584564 /nfs/dbraw/zinc/58/45/64/606584564.db2.gz WLSOVFIPTJCSCQ-DZGCQCFKSA-N 1 0 382.493 2.569 20 0 GFADRO CC[C@H](C[NH2+]Cc1cnc2ccc(-c3nn[nH]n3)cn12)Oc1cccc(F)c1 ZINC000820909050 606610748 /nfs/dbraw/zinc/61/07/48/606610748.db2.gz SNVQWMQZCHPAFV-MRXNPFEDSA-N 1 0 381.415 2.601 20 0 GFADRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)C1 ZINC000820570509 606672324 /nfs/dbraw/zinc/67/23/24/606672324.db2.gz LEPXTXIVZNAIOK-DOMZBBRYSA-N 1 0 398.417 2.710 20 0 GFADRO CC[N@H+]1C[C@H](NC(=O)c2ccccc2-c2ccccc2-c2nn[nH]n2)[C@@H](C)C1 ZINC000821240497 606692799 /nfs/dbraw/zinc/69/27/99/606692799.db2.gz HGGFUIDEZJUZBY-LIRRHRJNSA-N 1 0 376.464 2.604 20 0 GFADRO C[C@@]1(c2ccccc2)CC[N@H+](CCC(=O)Nc2ccccc2-c2nn[nH]n2)C1 ZINC000820634195 606717777 /nfs/dbraw/zinc/71/77/77/606717777.db2.gz FXBGYAQULRITQC-OAQYLSRUSA-N 1 0 376.464 2.859 20 0 GFADRO COCCCOc1cc(C)ccc1C[NH2+]Cc1ccc(OC)c(-c2nn[nH]n2)c1 ZINC000821687741 606727554 /nfs/dbraw/zinc/72/75/54/606727554.db2.gz MMBFPLUHFNWRQB-UHFFFAOYSA-N 1 0 397.479 2.889 20 0 GFADRO CC[C@@H]([NH2+]Cc1cc(-c2nn[nH]n2)cs1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000820926942 606742493 /nfs/dbraw/zinc/74/24/93/606742493.db2.gz XXKCPRHDSSVRHM-MOPGFXCFSA-N 1 0 398.536 2.697 20 0 GFADRO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)c1cc(-c2nn[nH]n2)cs1 ZINC000820758863 606749911 /nfs/dbraw/zinc/74/99/11/606749911.db2.gz DYJPEHDLHOJSTM-KBPBESRZSA-N 1 0 396.520 2.815 20 0 GFADRO Cc1cc(-c2nn[nH]n2)ccc1Oc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000822146456 606776879 /nfs/dbraw/zinc/77/68/79/606776879.db2.gz YDYMMWINBTVVOP-UHFFFAOYSA-N 1 0 392.463 2.793 20 0 GFADRO C[C@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@@H+]1Cc1csc2ccccc12 ZINC000820804785 606783201 /nfs/dbraw/zinc/78/32/01/606783201.db2.gz ZNYSZABRAIXDME-ZDUSSCGKSA-N 1 0 392.492 2.582 20 0 GFADRO Cc1ccc(-c2nn[nH]n2)cc1NC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000822217721 606806203 /nfs/dbraw/zinc/80/62/03/606806203.db2.gz LURGWNSBWFLWJY-GOSISDBHSA-N 1 0 391.479 2.913 20 0 GFADRO CC[C@@H]1CCC[C@H]1NC(=O)N(CC[NH+](C)C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000820973394 606837275 /nfs/dbraw/zinc/83/72/75/606837275.db2.gz WTNIPOWLOSRZOJ-SJLPKXTDSA-N 1 0 385.516 2.519 20 0 GFADRO CCN(CC)[C@@H](C[NH2+]C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1)c1ccccc1 ZINC000821182741 606845952 /nfs/dbraw/zinc/84/59/52/606845952.db2.gz YKWKUINERDUGAG-VQTJNVASSA-N 1 0 380.496 2.573 20 0 GFADRO O[C@@H](C[NH2+]Cc1csc(Br)c1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823690924 606855282 /nfs/dbraw/zinc/85/52/82/606855282.db2.gz YJQZKZVSVHTWNE-LBPRGKRZSA-N 1 0 380.271 2.514 20 0 GFADRO FC(F)(F)c1cc(N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)ccc1-c1nn[nH]n1 ZINC000822723789 606876775 /nfs/dbraw/zinc/87/67/75/606876775.db2.gz OMHMSYOCHQWRNI-CVEARBPZSA-N 1 0 396.417 2.941 20 0 GFADRO COc1ccccc1C[C@@H]1CCC[N@@H+]1C[C@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821890029 606890329 /nfs/dbraw/zinc/89/03/29/606890329.db2.gz JDJOQXDWXJHYHJ-OALUTQOASA-N 1 0 379.464 2.616 20 0 GFADRO C[N@H+](CCCOC(=O)CCc1ccc(-c2nn[nH]n2)cc1)Cc1ccccc1 ZINC000821600622 606897472 /nfs/dbraw/zinc/89/74/72/606897472.db2.gz VQVMCBPGLDJYMC-UHFFFAOYSA-N 1 0 379.464 2.865 20 0 GFADRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1ccccc1-c1ccccc1-c1nn[nH]n1 ZINC000820752438 606904591 /nfs/dbraw/zinc/90/45/91/606904591.db2.gz NBXZVFBWAVUCDU-VLIAUNLRSA-N 1 0 388.475 2.746 20 0 GFADRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1ccccc1-c1ccccc1-c1nn[nH]n1 ZINC000820752439 606904714 /nfs/dbraw/zinc/90/47/14/606904714.db2.gz NBXZVFBWAVUCDU-XOBRGWDASA-N 1 0 388.475 2.746 20 0 GFADRO O[C@H](C[NH+]1CCC(c2c[nH]c3ncccc23)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823672153 606927122 /nfs/dbraw/zinc/92/71/22/606927122.db2.gz BMLXOJHUAKGAQR-LJQANCHMSA-N 1 0 389.463 2.656 20 0 GFADRO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000820386183 606983974 /nfs/dbraw/zinc/98/39/74/606983974.db2.gz XNOGTGTYHLCTSO-YOEHRIQHSA-N 1 0 386.500 2.992 20 0 GFADRO COc1ccc([C@H](C)[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)cc1Cn1cccn1 ZINC000821778140 606999853 /nfs/dbraw/zinc/99/98/53/606999853.db2.gz VLCQPZGYHBFNGJ-HNNXBMFYSA-N 1 0 389.463 2.971 20 0 GFADRO c1cn(CN2CC[NH+](C3CCCCC3)CC2)nc1-c1ccc(-c2nn[nH]n2)cc1 ZINC000823742912 607004378 /nfs/dbraw/zinc/00/43/78/607004378.db2.gz NLONSIVKCBWAOG-UHFFFAOYSA-N 1 0 392.511 2.638 20 0 GFADRO Cc1cc(C)c2ncc(-c3nn[nH]n3)c(N3CC[C@H]4[C@H](CCC[N@H+]4C)C3)c2c1 ZINC000822195645 607030794 /nfs/dbraw/zinc/03/07/94/607030794.db2.gz ZDKOPALDKYNNPH-QAPCUYQASA-N 1 0 377.496 2.952 20 0 GFADRO c1ccc(C[N@@H+]2CCC[C@H]3CN(c4ccc(-c5nn[nH]n5)nc4)CC[C@H]32)cc1 ZINC000823780121 607032092 /nfs/dbraw/zinc/03/20/92/607032092.db2.gz OJHNZOPTJDMZTQ-FXAWDEMLSA-N 1 0 375.480 2.753 20 0 GFADRO C[C@@H]([NH2+]C1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1)c1ccc2c(c1)CCO2 ZINC000820409902 607045689 /nfs/dbraw/zinc/04/56/89/607045689.db2.gz BVHCMNDDJCXCSB-CQSZACIVSA-N 1 0 391.479 2.516 20 0 GFADRO C[C@@H]([NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)c1ccc(N2CCOC2=O)cc1 ZINC000820427580 607055653 /nfs/dbraw/zinc/05/56/53/607055653.db2.gz TZIHARHHVGRERH-GFCCVEGCSA-N 1 0 382.399 2.813 20 0 GFADRO C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC000820225179 607055668 /nfs/dbraw/zinc/05/56/68/607055668.db2.gz CLUQNMMDDJVNLH-SNVBAGLBSA-N 1 0 389.822 2.561 20 0 GFADRO C[C@H]([NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)c1ccc(N2CCCC2=O)cc1 ZINC000820426372 607058889 /nfs/dbraw/zinc/05/88/89/607058889.db2.gz IWTSXELKRBHROR-ZDUSSCGKSA-N 1 0 380.427 2.983 20 0 GFADRO COc1cccc(NC(=O)C[C@@H](C)[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)c1 ZINC000821873069 607059532 /nfs/dbraw/zinc/05/95/32/607059532.db2.gz QRODKQABHCNEBT-GFCCVEGCSA-N 1 0 384.415 2.521 20 0 GFADRO COC(=O)[C@@H](C)C[N@H+](Cc1ccccc1)Cc1cc(F)ccc1-c1nn[nH]n1 ZINC000821638582 607062814 /nfs/dbraw/zinc/06/28/14/607062814.db2.gz CFMROZZGOKMYFM-AWEZNQCLSA-N 1 0 383.427 2.817 20 0 GFADRO C[N@@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)Nc1ccc(-c2nn[nH]n2)cc1Cl ZINC000821623864 607201997 /nfs/dbraw/zinc/20/19/97/607201997.db2.gz UQFNLNXJJZOBBZ-HUUCEWRRSA-N 1 0 375.864 2.611 20 0 GFADRO OC[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)Cc1ccccc1C(F)(F)F ZINC000823707334 607230185 /nfs/dbraw/zinc/23/01/85/607230185.db2.gz ZWDNONPZSWUKQX-AWEZNQCLSA-N 1 0 391.397 2.826 20 0 GFADRO COc1ccc(CN2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)c(C)c1 ZINC000826194181 607792266 /nfs/dbraw/zinc/79/22/66/607792266.db2.gz DGYCGVQGCFKHAL-UHFFFAOYSA-N 1 0 392.507 2.892 20 0 GFADRO CC(C)C[C@@H]1CCCC[N@@H+]1CCS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000824245372 607816063 /nfs/dbraw/zinc/81/60/63/607816063.db2.gz YDWFONZNHNKSOH-INIZCTEOSA-N 1 0 377.514 2.541 20 0 GFADRO Cc1nc(N2CC[NH+](Cc3cn4ccccc4c3-c3nn[nH]n3)CC2)sc1C ZINC000826326898 607831129 /nfs/dbraw/zinc/83/11/29/607831129.db2.gz JWOHNKXSRPMJDS-UHFFFAOYSA-N 1 0 394.508 2.515 20 0 GFADRO Clc1cc(N2CC[C@@H](OCC[NH+]3CCCCC3)C2)ccc1-c1nn[nH]n1 ZINC000826350585 607849905 /nfs/dbraw/zinc/84/99/05/607849905.db2.gz CREZIAMVROIHAG-OAHLLOKOSA-N 1 0 376.892 2.601 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCCN(Cc2ccccc2)C1=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000824547444 608015524 /nfs/dbraw/zinc/01/55/24/608015524.db2.gz OINRGKGUJCHZNN-HNAYVOBHSA-N 1 0 376.464 2.709 20 0 GFADRO O=C(CC[NH+]1CC(Cc2ccc(F)cc2)C1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000826406876 608037529 /nfs/dbraw/zinc/03/75/29/608037529.db2.gz QURRPAKDCWGONT-UHFFFAOYSA-N 1 0 380.427 2.509 20 0 GFADRO Cc1cc(C)cc([C@H]2CC[N@H+](CC(=O)Nc3cccc(-c4nn[nH]n4)c3)C2)c1 ZINC000826264621 608129472 /nfs/dbraw/zinc/12/94/72/608129472.db2.gz UQLZYJAWMUSQQM-KRWDZBQOSA-N 1 0 376.464 2.912 20 0 GFADRO C[C@@]1([NH2+]Cc2ccc(-c3nn[nH]n3)cc2Br)CCO[C@@H]1C1CC1 ZINC000824838296 608132926 /nfs/dbraw/zinc/13/29/26/608132926.db2.gz NSWWIPIXMYCPKW-GDBMZVCRSA-N 1 0 378.274 2.676 20 0 GFADRO OCC1(C[NH2+]Cc2cccc(OCc3cccc(-c4nn[nH]n4)c3)c2)CCC1 ZINC000826508162 608136736 /nfs/dbraw/zinc/13/67/36/608136736.db2.gz GSRWOISAULKDIJ-UHFFFAOYSA-N 1 0 379.464 2.698 20 0 GFADRO C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)c1cccc(Oc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000824859266 608202293 /nfs/dbraw/zinc/20/22/93/608202293.db2.gz OYLBLUNUPMPJEN-LSDHHAIUSA-N 1 0 392.463 2.824 20 0 GFADRO Clc1nsc(NCC2CCN(c3cc[nH+]cc3)CC2)c1-c1nn[nH]n1 ZINC000826354111 608243586 /nfs/dbraw/zinc/24/35/86/608243586.db2.gz PWVUAROZUPUJDF-UHFFFAOYSA-N 1 0 376.877 2.700 20 0 GFADRO FC(F)(F)c1ccc(O[C@H]2CC[N@H+](Cc3ccccc3-c3nn[nH]n3)C2)nc1 ZINC000826368970 608269293 /nfs/dbraw/zinc/26/92/93/608269293.db2.gz IALYROWRWGYING-AWEZNQCLSA-N 1 0 390.369 2.934 20 0 GFADRO C[C@@H]([NH2+]CCOc1ccc(-c2nn[nH]n2)cc1)c1ccc(-n2cccn2)cc1 ZINC000824599722 608281006 /nfs/dbraw/zinc/28/10/06/608281006.db2.gz RGTPXNRQLJTTPX-OAHLLOKOSA-N 1 0 375.436 2.782 20 0 GFADRO COc1ccc(C[NH2+][C@@H](C)C[C@@H](C)NC(=O)OC(C)(C)C)cc1-c1nn[nH]n1 ZINC000826201859 608286507 /nfs/dbraw/zinc/28/65/07/608286507.db2.gz GTUJEJTWOYTITE-QWHCGFSZSA-N 1 0 390.488 2.657 20 0 GFADRO Cc1nn(-c2ccccc2)c(CN(C)CC[C@H]2CCCC[N@@H+]2C)c1-c1nn[nH]n1 ZINC000826331938 608315382 /nfs/dbraw/zinc/31/53/82/608315382.db2.gz DUYBOLMLGVUFRO-QGZVFWFLSA-N 1 0 394.527 2.667 20 0 GFADRO COc1ccc(-c2nn[nH]n2)cc1C[NH2+]C(C)(C)CN(C)Cc1ccccc1 ZINC000826184101 608316650 /nfs/dbraw/zinc/31/66/50/608316650.db2.gz LCTWRTNYZOGONF-UHFFFAOYSA-N 1 0 380.496 2.876 20 0 GFADRO Cc1nn(-c2ccccc2)c(C[N@H+](C)CCC(=O)OC(C)(C)C)c1-c1nn[nH]n1 ZINC000826332614 608317615 /nfs/dbraw/zinc/31/76/15/608317615.db2.gz ZOIUSIUIQZDZQF-UHFFFAOYSA-N 1 0 397.483 2.524 20 0 GFADRO COc1cc(-c2nn[nH]n2)ccc1C[N@H+](Cc1ccccc1)[C@H](CO)C(C)C ZINC000826168171 608368279 /nfs/dbraw/zinc/36/82/79/608368279.db2.gz DUROOMFWTUHRMQ-LJQANCHMSA-N 1 0 381.480 2.894 20 0 GFADRO O[C@@]1(Cc2cccc(Cl)c2)CC[N@H+](CCOc2ccccc2-c2nn[nH]n2)C1 ZINC000826506377 608381895 /nfs/dbraw/zinc/38/18/95/608381895.db2.gz SZGFWYXBTHBISU-HXUWFJFHSA-N 1 0 399.882 2.578 20 0 GFADRO O=C(NCc1ccccc1)C1CC[NH+](Cc2cccc(-c3nn[nH]n3)c2F)CC1 ZINC000826443097 608385213 /nfs/dbraw/zinc/38/52/13/608385213.db2.gz ZZURYDBKVCQIDZ-UHFFFAOYSA-N 1 0 394.454 2.534 20 0 GFADRO Cc1ccc(-c2nn[nH]n2)c(NCCc2ccc(OCC[NH+]3CCCC3)cc2)n1 ZINC000826276757 608415269 /nfs/dbraw/zinc/41/52/69/608415269.db2.gz VPHVGFWNYSXRLH-UHFFFAOYSA-N 1 0 393.495 2.699 20 0 GFADRO CCOc1ccccc1[C@H](C)[NH2+]CCC(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000825653333 608437769 /nfs/dbraw/zinc/43/77/69/608437769.db2.gz AUOVXCAOLQIEHF-AWEZNQCLSA-N 1 0 380.452 2.945 20 0 GFADRO CCc1ccc([C@@H](C)NC(=O)C[NH2+][C@H](C)c2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000825704651 608467932 /nfs/dbraw/zinc/46/79/32/608467932.db2.gz LXIWRADOEAPYFU-HUUCEWRRSA-N 1 0 378.480 2.957 20 0 GFADRO CC[C@@H]([NH2+]CCOc1ccccc1-c1nn[nH]n1)c1ccc2c(c1)OCCO2 ZINC000825141786 608470595 /nfs/dbraw/zinc/47/05/95/608470595.db2.gz PGDKAMDIFPFZJN-MRXNPFEDSA-N 1 0 381.436 2.758 20 0 GFADRO C[C@H]([NH2+]CCOc1cccc(-c2nn[nH]n2)c1)c1cccc(N2CCCC2=O)c1 ZINC000824598998 608476097 /nfs/dbraw/zinc/47/60/97/608476097.db2.gz KUKGXLGMVUSSME-HNNXBMFYSA-N 1 0 392.463 2.723 20 0 GFADRO CSc1ccc(CN(C)C(=O)C[NH2+][C@H](C)c2cccc(-c3nn[nH]n3)c2)cc1 ZINC000826231153 608481449 /nfs/dbraw/zinc/48/14/49/608481449.db2.gz ZLZKCDWGONABGP-CQSZACIVSA-N 1 0 396.520 2.898 20 0 GFADRO CCc1ccc([C@H](C)NC(=O)C[NH2+][C@H](C)c2cccc(-c3nn[nH]n3)c2)cc1 ZINC000825705172 608492999 /nfs/dbraw/zinc/49/29/99/608492999.db2.gz XYEKPLXAXTYPNU-CABCVRRESA-N 1 0 378.480 2.957 20 0 GFADRO COc1ccc(C[N@H+](Cc2cnc3ccc(-c4nn[nH]n4)cn23)C2CC2)cc1 ZINC000826193812 608505190 /nfs/dbraw/zinc/50/51/90/608505190.db2.gz QCZHHEVPTRXAAF-UHFFFAOYSA-N 1 0 375.436 2.688 20 0 GFADRO Fc1cc(F)cc(CN2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)c1 ZINC000826373093 608507696 /nfs/dbraw/zinc/50/76/96/608507696.db2.gz YZUNVAQJUBSTLW-UHFFFAOYSA-N 1 0 384.434 2.853 20 0 GFADRO Fc1ccc(C2=CC[N@H+](Cc3cnc4ccc(-c5nn[nH]n5)cn34)CC2)cc1 ZINC000826374057 608508122 /nfs/dbraw/zinc/50/81/22/608508122.db2.gz JZXKZXQYGLAGNR-UHFFFAOYSA-N 1 0 375.411 2.943 20 0 GFADRO c1ccc2c(c1)OCC[C@@H]2C[NH+]1CCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000826524058 608516060 /nfs/dbraw/zinc/51/60/60/608516060.db2.gz HQMOZQZCDQPKRZ-MRXNPFEDSA-N 1 0 376.464 2.555 20 0 GFADRO COc1cc(NCC[NH2+][C@H]2CCCc3cc(-c4nn[nH]n4)ccc32)cc(OC)c1 ZINC000826180297 608524958 /nfs/dbraw/zinc/52/49/58/608524958.db2.gz AQCBUFSQLKQWHO-FQEVSTJZSA-N 1 0 394.479 2.963 20 0 GFADRO O[C@H](C[NH2+]C1(c2cccc(-c3nn[nH]n3)c2)CC1)COCc1ccccc1Cl ZINC000826503251 608533284 /nfs/dbraw/zinc/53/32/84/608533284.db2.gz UFVKNJRWNLVQSU-QGZVFWFLSA-N 1 0 399.882 2.677 20 0 GFADRO CC[C@@H]1Oc2cc([C@@H](C)[NH2+]Cc3cccc(-c4nn[nH]n4)c3F)ccc2NC1=O ZINC000825220400 608538376 /nfs/dbraw/zinc/53/83/76/608538376.db2.gz SMCXSJXMVYIVOL-BZNIZROVSA-N 1 0 396.426 2.966 20 0 GFADRO C[C@H]([NH2+]CCC(=O)Nc1sccc1-c1nn[nH]n1)c1cccc(F)c1F ZINC000824585511 608557582 /nfs/dbraw/zinc/55/75/82/608557582.db2.gz RZHHMGSJSCLJTC-VIFPVBQESA-N 1 0 378.408 2.886 20 0 GFADRO CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC000824108420 608578736 /nfs/dbraw/zinc/57/87/36/608578736.db2.gz FRZONZDUGRIFPW-HUUCEWRRSA-N 1 0 376.436 2.541 20 0 GFADRO COc1ccc(C[N@@H+]2CCCN(c3ccccc3-c3nn[nH]n3)CC2)cc1C ZINC000826194568 608584535 /nfs/dbraw/zinc/58/45/35/608584535.db2.gz PQZZOIUDCGFLIG-UHFFFAOYSA-N 1 0 378.480 2.896 20 0 GFADRO COc1cccc(C[N@@H+]2CCCN(c3ccccc3-c3nn[nH]n3)CC2)c1OC ZINC000826215968 608584720 /nfs/dbraw/zinc/58/47/20/608584720.db2.gz DZMVMOQDGVOZTG-UHFFFAOYSA-N 1 0 394.479 2.596 20 0 GFADRO COC(=O)[C@H](C)C[N@H+](C)Cc1cccc(OCc2ccccc2-c2nn[nH]n2)c1 ZINC000826098662 608600585 /nfs/dbraw/zinc/60/05/85/608600585.db2.gz LCFWDFSQFVNJOJ-OAHLLOKOSA-N 1 0 395.463 2.687 20 0 GFADRO Cc1ccccc1C(=O)NC1CC[NH+](Cc2cccc(-c3nn[nH]n3)c2F)CC1 ZINC000826305888 608652102 /nfs/dbraw/zinc/65/21/02/608652102.db2.gz LABCWWHPEOBCIG-UHFFFAOYSA-N 1 0 394.454 2.709 20 0 GFADRO O=C(NC1CCCCC1)C1CC[NH+](Cc2cccc(-c3nn[nH]n3)c2F)CC1 ZINC000826430336 608652660 /nfs/dbraw/zinc/65/26/60/608652660.db2.gz ZLWHPFYXPODJKM-UHFFFAOYSA-N 1 0 386.475 2.667 20 0 GFADRO CCCCCCNC(=O)[C@H]1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC000825271948 608656647 /nfs/dbraw/zinc/65/66/47/608656647.db2.gz RXAZYLYZWAZXBP-AWEZNQCLSA-N 1 0 376.530 2.837 20 0 GFADRO CCc1csc([C@H]2CCC[N@H+](Cc3cnc4ccc(-c5nn[nH]n5)cn34)C2)n1 ZINC000825739541 608663206 /nfs/dbraw/zinc/66/32/06/608663206.db2.gz FNCSQZSLWKZFIH-AWEZNQCLSA-N 1 0 394.508 2.913 20 0 GFADRO COc1c(C)cc(C[N@H+](C)Cc2cnc3ccc(-c4nn[nH]n4)cn23)cc1C ZINC000826167200 608664713 /nfs/dbraw/zinc/66/47/13/608664713.db2.gz TXDJWRJKKDNYIT-UHFFFAOYSA-N 1 0 377.452 2.772 20 0 GFADRO C[C@@]1(O)CCC[N@H+](Cc2cccc(OCc3ccccc3-c3nn[nH]n3)c2)C1 ZINC000824844532 608718514 /nfs/dbraw/zinc/71/85/14/608718514.db2.gz XSRYWCCLWXVHBV-OAQYLSRUSA-N 1 0 379.464 2.793 20 0 GFADRO CCC[N@H+](Cc1cnc2ccc(-c3nn[nH]n3)cn12)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000825323068 608719675 /nfs/dbraw/zinc/71/96/75/608719675.db2.gz NVVDQZKPJQHGAV-JQHSSLGASA-N 1 0 381.484 2.540 20 0 GFADRO CC(C)c1cnc(CN(C)[C@@H]2CC[N@H+](Cc3ccc(-c4nn[nH]n4)s3)C2)o1 ZINC000824353070 608738968 /nfs/dbraw/zinc/73/89/68/608738968.db2.gz WQUJUFXAKFEEEN-CYBMUJFWSA-N 1 0 387.513 2.746 20 0 GFADRO CN(C[C@H]1CCC[N@@H+]1Cc1cc(-c2nn[nH]n2)cs1)C(=O)OC(C)(C)C ZINC000825908489 608747753 /nfs/dbraw/zinc/74/77/53/608747753.db2.gz INCPWKCSSPDWLB-CYBMUJFWSA-N 1 0 378.502 2.760 20 0 GFADRO O[C@@H](C[C@H]1CCC[N@@H+]1Cc1cnc2ccc(-c3nn[nH]n3)cn12)c1ccccc1 ZINC000826503300 608748857 /nfs/dbraw/zinc/74/88/57/608748857.db2.gz UYEOQXHUJNEGCW-MJGOQNOKSA-N 1 0 389.463 2.603 20 0 GFADRO FC(F)(F)c1ccc(C[N@@H+]2CC[C@H](Nc3cnccc3-c3nn[nH]n3)C2)cc1 ZINC000826368578 608784658 /nfs/dbraw/zinc/78/46/58/608784658.db2.gz VGWGKKPBAHQLSP-AWEZNQCLSA-N 1 0 389.385 2.967 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@@H+]1Cc1cc(-c2nn[nH]n2)cs1 ZINC000824893392 608846357 /nfs/dbraw/zinc/84/63/57/608846357.db2.gz QIFZERWYXVWHTH-DGCLKSJQSA-N 1 0 378.502 2.806 20 0 GFADRO COc1cccc(N2CC[C@H]([NH2+][C@H](C)c3ccc(-c4nn[nH]n4)c(F)c3)C2)c1 ZINC000826216532 609140152 /nfs/dbraw/zinc/14/01/52/609140152.db2.gz CODCXBFESCIPRB-HIFRSBDPSA-N 1 0 382.443 2.944 20 0 GFADRO C[C@H]([NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824545991 609142056 /nfs/dbraw/zinc/14/20/56/609142056.db2.gz FZKHCEMKIHMNSR-AAEUAGOBSA-N 1 0 376.436 2.666 20 0 GFADRO C[C@@H](C(=O)Nc1cccc(-c2nn[nH]n2)c1)[N@@H+]1CC[C@H](COc2ccccc2)C1 ZINC000824047093 609147585 /nfs/dbraw/zinc/14/75/85/609147585.db2.gz XEEPPTOHKFECDO-HOTGVXAUSA-N 1 0 392.463 2.595 20 0 GFADRO C[C@H]1CC[C@@H](C(F)(F)F)C[N@@H+]1CCC(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000824907753 609148821 /nfs/dbraw/zinc/14/88/21/609148821.db2.gz KFTYNPJOPFRXTI-WCQYABFASA-N 1 0 382.390 2.858 20 0 GFADRO C[C@@H]([NH2+]CCCNC(=O)c1ccc(F)cc1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824594175 609151009 /nfs/dbraw/zinc/15/10/09/609151009.db2.gz XOFMILAQCKQQSG-GFCCVEGCSA-N 1 0 386.406 2.616 20 0 GFADRO C[C@H]([NH2+]CCc1nc2cc(F)ccc2n1C)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824604217 609152006 /nfs/dbraw/zinc/15/20/06/609152006.db2.gz AGQFZAJVAXCMFH-NSHDSACASA-N 1 0 383.406 2.925 20 0 GFADRO C[C@@H]([NH2+]C[C@@H](C)CNC(=O)OC(C)(C)C)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824419620 609152275 /nfs/dbraw/zinc/15/22/75/609152275.db2.gz ARJORYJOTNXJDR-VXGBXAGGSA-N 1 0 378.452 2.817 20 0 GFADRO CC(C)[C@@H]1C[C@@H]([NH2+]C2CCC(Oc3ccc(-c4nn[nH]n4)cn3)CC2)CCO1 ZINC000824216399 609155333 /nfs/dbraw/zinc/15/53/33/609155333.db2.gz QYBTYPKVPBJYNX-IKJBURDNSA-N 1 0 386.500 2.745 20 0 GFADRO CC[C@H](Cc1ccccc1)[NH2+][C@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000825127581 609169201 /nfs/dbraw/zinc/16/92/01/609169201.db2.gz NUCNKGSMVAAEIH-QUCCMNQESA-N 1 0 390.491 2.973 20 0 GFADRO C[C@H](CSC(C)(C)C)[NH2+][C@@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000824450062 609169897 /nfs/dbraw/zinc/16/98/97/609169897.db2.gz RKPXCSRIQWJUTO-CZUORRHYSA-N 1 0 388.541 2.872 20 0 GFADRO CC[NH+](CC)[C@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)c1ccccc1Cl ZINC000825406441 609190685 /nfs/dbraw/zinc/19/06/85/609190685.db2.gz OENMGKBSULWRGW-MRXNPFEDSA-N 1 0 387.875 2.661 20 0 GFADRO C[NH+]1CCC(C)(CNC(=O)c2c(Cl)cc(-c3nn[nH]n3)cc2Cl)CC1 ZINC000826021659 609262173 /nfs/dbraw/zinc/26/21/73/609262173.db2.gz BTJBXBIQWCEPDR-UHFFFAOYSA-N 1 0 383.283 2.635 20 0 GFADRO C[C@@H](OC(=O)c1cccc(-c2nn[nH]n2)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000824723363 609263697 /nfs/dbraw/zinc/26/36/97/609263697.db2.gz QMBWESWUFJUWOI-DNVCBOLYSA-N 1 0 377.448 2.934 20 0 GFADRO C[C@H](Nc1c2ccccc2nnc1-c1nn[nH]n1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000824649442 609314042 /nfs/dbraw/zinc/31/40/42/609314042.db2.gz MCNFUDQYPKWFNH-KBPBESRZSA-N 1 0 378.484 2.875 20 0 GFADRO C[C@H]([NH2+]C1CCN(C(=O)c2ccoc2)CC1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824545663 609325476 /nfs/dbraw/zinc/32/54/76/609325476.db2.gz DNNUVBICDOFOED-LBPRGKRZSA-N 1 0 384.415 2.554 20 0 GFADRO COc1cccc(N2CC[C@@H]([NH2+][C@H](C)c3ccc(-c4nn[nH]n4)cc3F)C2)c1 ZINC000826216718 609334147 /nfs/dbraw/zinc/33/41/47/609334147.db2.gz KVBQWTIWCFPXNY-UKRRQHHQSA-N 1 0 382.443 2.944 20 0 GFADRO COc1cccc(N2CC[C@@H]([NH2+][C@@H](C)c3ccc(-c4nn[nH]n4)cc3F)C2)c1 ZINC000826216716 609334149 /nfs/dbraw/zinc/33/41/49/609334149.db2.gz KVBQWTIWCFPXNY-DZGCQCFKSA-N 1 0 382.443 2.944 20 0 GFADRO Cn1cc(C[NH2+]CCc2ccc(F)cc2F)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826361741 609338933 /nfs/dbraw/zinc/33/89/33/609338933.db2.gz MJJALCKMUMXWED-UHFFFAOYSA-N 1 0 395.417 2.878 20 0 GFADRO CC[C@@H]1CN(C(=O)C2CC2)CC[C@H]1[NH2+][C@H](C)c1ccc(-c2nn[nH]n2)cc1F ZINC000825204941 609338998 /nfs/dbraw/zinc/33/89/98/609338998.db2.gz UKPHLTFZXASYDE-SNUQEOBHSA-N 1 0 386.475 2.694 20 0 GFADRO C[C@@H](NCC1([NH+]2CCCCC2)CCOCC1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824576996 609340987 /nfs/dbraw/zinc/34/09/87/609340987.db2.gz FTDSRDGBIPSPEC-OAHLLOKOSA-N 1 0 388.491 2.692 20 0 GFADRO Cn1cc(C[NH2+][C@H]2CCO[C@H](C(C)(C)C)C2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826361343 609343688 /nfs/dbraw/zinc/34/36/88/609343688.db2.gz UDGARZQAECBXBE-ROUUACIJSA-N 1 0 395.511 2.951 20 0 GFADRO Brc1cc(-c2nn[nH]n2)ccc1CN1CCO[C@@H]2CCCC[C@H]21 ZINC000823821767 609358029 /nfs/dbraw/zinc/35/80/29/609358029.db2.gz ZRVLKSXAHKNSMO-HUUCEWRRSA-N 1 0 378.274 2.773 20 0 GFADRO COC(=O)C1=C(C)O[C@H](C[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC(C)C)C1 ZINC000826129731 609360026 /nfs/dbraw/zinc/36/00/26/609360026.db2.gz ZDOIWAADRNKSSP-KRWDZBQOSA-N 1 0 385.468 2.561 20 0 GFADRO C[N@@H+]1CCC[C@H]2CN(Cc3ccc(-c4nn[nH]n4)cc3Br)CC[C@@H]21 ZINC000826034444 609363992 /nfs/dbraw/zinc/36/39/92/609363992.db2.gz QVEXUFNOODKXSR-HOCLYGCPSA-N 1 0 391.317 2.545 20 0 GFADRO O=C(NCCC[NH+]1CCCC1)c1ccccc1Oc1ccccc1-c1nn[nH]n1 ZINC000826437048 609365670 /nfs/dbraw/zinc/36/56/70/609365670.db2.gz UKGWRAAPQKLKPC-UHFFFAOYSA-N 1 0 392.463 2.875 20 0 GFADRO CC[N@@H+]1C[C@H](C)N(Cc2ccc(-c3nn[nH]n3)cc2Br)C[C@H]1C ZINC000825452505 609366247 /nfs/dbraw/zinc/36/62/47/609366247.db2.gz PQNARBOYUVTIPP-NEPJUHHUSA-N 1 0 379.306 2.544 20 0 GFADRO CCOc1cccc(C[NH2+][C@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)c1 ZINC000825649709 609412809 /nfs/dbraw/zinc/41/28/09/609412809.db2.gz VSNFGVNWTKWTQQ-IBGZPJMESA-N 1 0 392.463 2.551 20 0 GFADRO Cc1c(Cl)cnc(NC2CC[NH+](Cc3ccncc3)CC2)c1-c1nn[nH]n1 ZINC000826238270 609537249 /nfs/dbraw/zinc/53/72/49/609537249.db2.gz BMUACLLMYOGAHV-UHFFFAOYSA-N 1 0 384.875 2.695 20 0 GFADRO c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H](Nc4cnccc4-c4nn[nH]n4)[C@@H]3C2)cc1 ZINC000826521515 609595318 /nfs/dbraw/zinc/59/53/18/609595318.db2.gz PVUIUOGLGQFSIO-QXAKKESOSA-N 1 0 375.480 2.974 20 0 GFADRO Ic1cccc2ncnc(NCC[N@H+]3CC=CCC3)c12 ZINC000530536371 650725664 /nfs/dbraw/zinc/72/56/64/650725664.db2.gz CIECCUHECUHTMD-UHFFFAOYSA-N 1 0 380.233 2.908 20 0 GFADRO CNC(=O)[C@H]1CC[N@H+](Cn2ccc(-c3ccc(Br)cc3Cl)n2)C1 ZINC000817370587 660192103 /nfs/dbraw/zinc/19/21/03/660192103.db2.gz MCTHYOYKEWHLEL-NSHDSACASA-N 1 0 397.704 2.991 20 0 GFADRO COCc1nc2n(n1)C[C@H]([NH2+][C@@H](c1nc(Br)cs1)C1CC1)CC2 ZINC000817580332 660201520 /nfs/dbraw/zinc/20/15/20/660201520.db2.gz INJDKSKUMRGHNP-QMTHXVAHSA-N 1 0 398.330 2.699 20 0 GFADRO Cc1csc([C@@](O)(CC(=O)NC2CCC([NH+](C)C)CC2)C(F)(F)F)n1 ZINC000817659463 660204987 /nfs/dbraw/zinc/20/49/87/660204987.db2.gz UCLVCRJXLKECFK-QOZQQMKHSA-N 1 0 379.448 2.581 20 0 GFADRO [NH3+][C@@H]1CCCCC[C@@H]1NCCOc1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000817916521 660211870 /nfs/dbraw/zinc/21/18/70/660211870.db2.gz GYGALLBORQVFSG-CABCVRRESA-N 1 0 380.432 2.609 20 0 GFADRO COc1cc([C@@H](C)NC[C@@]2(C)CCC[NH2+]C2)ccc1S(=O)(=O)C(F)F ZINC000817966565 660212762 /nfs/dbraw/zinc/21/27/62/660212762.db2.gz QCMPYPFADBQQGO-PXAZEXFGSA-N 1 0 376.469 2.732 20 0 GFADRO COc1cc([C@@H](C)N[C@H](C[NH3+])C2CCCC2)ccc1S(=O)(=O)C(F)F ZINC000817980419 660212779 /nfs/dbraw/zinc/21/27/79/660212779.db2.gz ASXBRJKVABYGCO-BXUZGUMPSA-N 1 0 376.469 2.860 20 0 GFADRO Cc1cc(C(=O)N2CC[C@]3(CCC[NH2+]3)C2)nn1-c1ccc(Br)cc1 ZINC000818019303 660213960 /nfs/dbraw/zinc/21/39/60/660213960.db2.gz SXLSLEMBUSHANW-GOSISDBHSA-N 1 0 389.297 2.911 20 0 GFADRO CN(C[C@@H](O)C[NH2+]Cc1cc(Br)cs1)C(=O)OC(C)(C)C ZINC000818164806 660218163 /nfs/dbraw/zinc/21/81/63/660218163.db2.gz BVHYZCRSAGBCIP-NSHDSACASA-N 1 0 379.320 2.828 20 0 GFADRO CN(C[C@H](O)C[NH2+]Cc1cc(F)ccc1Br)C(=O)OC(C)(C)C ZINC000818164950 660218170 /nfs/dbraw/zinc/21/81/70/660218170.db2.gz CFOCXYDPANCHAO-CYBMUJFWSA-N 1 0 391.281 2.906 20 0 GFADRO COc1ccc(S(=O)(=O)C(F)(F)F)cc1NC(=O)[C@@H](C(C)C)[C@@H](C)[NH3+] ZINC000818502402 660227465 /nfs/dbraw/zinc/22/74/65/660227465.db2.gz KESKOXDZXJUEGR-RNCFNFMXSA-N 1 0 382.404 2.547 20 0 GFADRO CN(C(=O)c1ccc(-n2cc(Br)cn2)cc1)C1CCC([NH3+])CC1 ZINC000818529377 660228118 /nfs/dbraw/zinc/22/81/18/660228118.db2.gz WMTHALUDVRMDRI-UHFFFAOYSA-N 1 0 377.286 2.977 20 0 GFADRO O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1cc2c(cccc2F)s1 ZINC000818594062 660229397 /nfs/dbraw/zinc/22/93/97/660229397.db2.gz BCWYQASTQSRTES-AWEZNQCLSA-N 1 0 375.391 2.606 20 0 GFADRO COCCOc1ccc(C[NH2+]C[C@@H](O)c2cccc(Br)c2)cn1 ZINC000818960836 660238241 /nfs/dbraw/zinc/23/82/41/660238241.db2.gz LBYNAYLIVRNASJ-MRXNPFEDSA-N 1 0 381.270 2.693 20 0 GFADRO CN(Cc1ccccc1)C(=O)C[NH2+]C[C@@H](O)c1cccc(Br)c1 ZINC000818965865 660238697 /nfs/dbraw/zinc/23/86/97/660238697.db2.gz LRKRLXRKELEQJO-QGZVFWFLSA-N 1 0 377.282 2.731 20 0 GFADRO O[C@@H](C[NH2+]C[C@@H]1CCN(CC(F)(F)F)C1)c1ccccc1Br ZINC000818973509 660239899 /nfs/dbraw/zinc/23/98/99/660239899.db2.gz YCEHLYHQQMRNFM-FZMZJTMJSA-N 1 0 381.236 2.956 20 0 GFADRO CN(C)C(=O)C1(C[NH2+]C[C@@H](O)c2ccc(F)c(Br)c2)CCCC1 ZINC000819070572 660245497 /nfs/dbraw/zinc/24/54/97/660245497.db2.gz WZXIWVMLYZGXRE-OAHLLOKOSA-N 1 0 387.293 2.860 20 0 GFADRO CN(C[C@H](O)C[NH2+]Cc1ccc(Br)c(F)c1)C(=O)OC(C)(C)C ZINC000818984872 660241667 /nfs/dbraw/zinc/24/16/67/660241667.db2.gz MIIIRCLLQQRVIQ-GFCCVEGCSA-N 1 0 391.281 2.906 20 0 GFADRO Cc1cc(F)ccc1[C@@H](O)C[NH2+]CCNC(=O)c1cccc(Br)c1 ZINC000818989030 660241924 /nfs/dbraw/zinc/24/19/24/660241924.db2.gz HJBZZMHUECBEBP-KRWDZBQOSA-N 1 0 395.272 2.950 20 0 GFADRO O[C@@H](C[NH2+]C1CCN(CC(F)F)CC1)c1ccc(F)c(Br)c1 ZINC000818987520 660241971 /nfs/dbraw/zinc/24/19/71/660241971.db2.gz ZCPRSULREUCVRL-AWEZNQCLSA-N 1 0 381.236 2.941 20 0 GFADRO C[C@H]1COCCN1CC[NH2+]C[C@](C)(O)c1ccc(Br)cc1Cl ZINC000819017699 660243537 /nfs/dbraw/zinc/24/35/37/660243537.db2.gz KWHLMKGUYPKTFK-LRDDRELGSA-N 1 0 391.737 2.620 20 0 GFADRO C[C@@H](C[NH2+]C[C@@H](O)COc1ccc(Br)cc1)CC1(C)OCCO1 ZINC000819095480 660246410 /nfs/dbraw/zinc/24/64/10/660246410.db2.gz GKJFHJGTNXRHAY-UKRRQHHQSA-N 1 0 388.302 2.568 20 0 GFADRO CN1CCC[C@@H]([NH2+]C[C@@](C)(O)c2ccc(Br)cc2Cl)C1=O ZINC000819133803 660247604 /nfs/dbraw/zinc/24/76/04/660247604.db2.gz RPLIMGBLPNGFJB-UKRRQHHQSA-N 1 0 375.694 2.520 20 0 GFADRO O[C@@H](C[NH2+][C@@H]1CCN(c2ncccc2F)C1)c1cccc(Br)c1 ZINC000819150396 660248046 /nfs/dbraw/zinc/24/80/46/660248046.db2.gz RQGBFBOAOYWWDP-ZBFHGGJFSA-N 1 0 380.261 2.885 20 0 GFADRO CCc1n[nH]c(=O)c(C[NH2+]C[C@H](O)c2ccc(Br)cc2)c1CC ZINC000819163686 660248338 /nfs/dbraw/zinc/24/83/38/660248338.db2.gz SEILIDBCKQJOIG-INIZCTEOSA-N 1 0 380.286 2.893 20 0 GFADRO O=S(=O)(NCC[NH2+]C[C@H](O)c1ccccc1Cl)c1ccc(Cl)s1 ZINC000819184256 660249326 /nfs/dbraw/zinc/24/93/26/660249326.db2.gz AZHRZGFFXGCTJQ-LBPRGKRZSA-N 1 0 395.333 2.656 20 0 GFADRO CS(=O)(=O)c1ccc(C[NH2+]C[C@H](O)c2c(F)cccc2F)cc1Cl ZINC000819264548 660252724 /nfs/dbraw/zinc/25/27/24/660252724.db2.gz WZCPROJABSEEAI-AWEZNQCLSA-N 1 0 375.824 2.845 20 0 GFADRO CC(C)(C)OC(=O)NCC[C@@H](O)C[NH2+]Cc1ccsc1Br ZINC000819292474 660253758 /nfs/dbraw/zinc/25/37/58/660253758.db2.gz IZYQISJHRIYKRC-LLVKDONJSA-N 1 0 379.320 2.876 20 0 GFADRO O=C(N1CCCC1)N1CCC[C@@H]([NH2+]C[C@H](O)c2ccccc2Br)C1 ZINC000819304483 660254219 /nfs/dbraw/zinc/25/42/19/660254219.db2.gz GRIRXZAFDRZDAU-PBHICJAKSA-N 1 0 396.329 2.752 20 0 GFADRO Cc1cc(OC[C@H](O)C[NH2+]CCS(=O)(=O)C(C)C)c(C(C)C)cc1Cl ZINC000819316814 660254765 /nfs/dbraw/zinc/25/47/65/660254765.db2.gz KYXQACRDSDRCJD-OAHLLOKOSA-N 1 0 391.961 2.924 20 0 GFADRO CC(=O)Nc1ccc(OC[C@H](O)C[NH2+]CC[C@]2(C)CC2(Cl)Cl)cc1 ZINC000819350808 660256378 /nfs/dbraw/zinc/25/63/78/660256378.db2.gz RULVDYZFAXNQKK-GDBMZVCRSA-N 1 0 375.296 2.948 20 0 GFADRO COC1([C@H](C)[NH2+]C[C@](C)(O)c2ccc(Br)cc2F)CCOCC1 ZINC000819372352 660257304 /nfs/dbraw/zinc/25/73/04/660257304.db2.gz AALWDTYVWLUUTL-LRDDRELGSA-N 1 0 390.293 2.969 20 0 GFADRO Cn1nc(C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)cc1Br ZINC000819641875 660266081 /nfs/dbraw/zinc/26/60/81/660266081.db2.gz FNEQPJXZQAGTIR-GOEBONIOSA-N 1 0 389.297 2.529 20 0 GFADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2csc(Br)n2)[C@@H](C)C1 ZINC000820035383 660279120 /nfs/dbraw/zinc/27/91/20/660279120.db2.gz LLTAGIPGTKEGHF-RYUDHWBXSA-N 1 0 390.347 2.772 20 0 GFADRO C[NH+](C)C1(CNS(=O)(=O)c2cnc(Cl)c(Br)c2)CCCC1 ZINC000820786127 660305860 /nfs/dbraw/zinc/30/58/60/660305860.db2.gz VMUMHFVSAWHSES-UHFFFAOYSA-N 1 0 396.738 2.650 20 0 GFADRO Cc1ccc(CN(CC[NH+](C)C)S(=O)(=O)c2cccc3scnc32)o1 ZINC000820787131 660305998 /nfs/dbraw/zinc/30/59/98/660305998.db2.gz IZPWPDRYSOTVFF-UHFFFAOYSA-N 1 0 379.507 2.950 20 0 GFADRO O[C@H](C[N@H+](CCn1cnc(Br)n1)Cc1ccccc1)c1ccco1 ZINC000821385812 660323801 /nfs/dbraw/zinc/32/38/01/660323801.db2.gz GOESFPAVBHXWPP-OAHLLOKOSA-N 1 0 391.269 2.869 20 0 GFADRO Cn1nc(Br)cc1NC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000821466672 660326839 /nfs/dbraw/zinc/32/68/39/660326839.db2.gz METLRYYIZUYRNQ-SWLSCSKDSA-N 1 0 378.274 2.750 20 0 GFADRO Cc1ccc([C@H](CNC(=O)Nc2cc(Br)nn2C)[NH+](C)C)cc1 ZINC000821471331 660327093 /nfs/dbraw/zinc/32/70/93/660327093.db2.gz FRLKCEUSXJHIPS-ZDUSSCGKSA-N 1 0 380.290 2.915 20 0 GFADRO O=C(NC1CC[NH+](C2CCC2)CC1)c1nc(Br)c2ccccn21 ZINC000821891761 660336474 /nfs/dbraw/zinc/33/64/74/660336474.db2.gz OMDVCMLOBZDIMI-UHFFFAOYSA-N 1 0 377.286 2.844 20 0 GFADRO CC(C)(C[NH+]1CCCC1)NC(=O)C[C@@H]1C(=O)Nc2ccc(Br)cc21 ZINC000822134172 660340692 /nfs/dbraw/zinc/34/06/92/660340692.db2.gz AFNMTJFLMAZZLA-AWEZNQCLSA-N 1 0 394.313 2.866 20 0 GFADRO C[N@H+](CCCCNC(=O)C[C@H]1C(=O)Nc2c1cccc2Br)C1CC1 ZINC000822272394 660342388 /nfs/dbraw/zinc/34/23/88/660342388.db2.gz OVTZCGLLWCWYRQ-CQSZACIVSA-N 1 0 394.313 2.866 20 0 GFADRO Cc1ccc(NC(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)c(Br)n1 ZINC000822037019 660339211 /nfs/dbraw/zinc/33/92/11/660339211.db2.gz IBFBIGBUZRVQCR-ZDUSSCGKSA-N 1 0 385.306 2.727 20 0 GFADRO C[N@@H+]1CCC[C@@H](CCNC(=O)[C@](C)(O)c2ccc(F)c(Br)c2)C1 ZINC000822453331 660345822 /nfs/dbraw/zinc/34/58/22/660345822.db2.gz JCCJMNIQSMTMHA-YVEFUNNKSA-N 1 0 387.293 2.644 20 0 GFADRO CC[N@@H+]1CCCN(C(=O)c2cc3cc(Br)cnc3n2C)[C@@H](C)C1 ZINC000822569159 660348101 /nfs/dbraw/zinc/34/81/01/660348101.db2.gz PODVJWLAYQESLL-LBPRGKRZSA-N 1 0 379.302 2.892 20 0 GFADRO C[N@H+](CC[C@@H]1CC1(Cl)Cl)CC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000822574777 660348448 /nfs/dbraw/zinc/34/84/48/660348448.db2.gz DULOLRXQQBKUNW-CQSZACIVSA-N 1 0 386.323 2.977 20 0 GFADRO Fc1ccc(C[NH2+]CCOc2ccc(-c3nn[nH]n3)cc2)cc1Br ZINC000822771209 660354014 /nfs/dbraw/zinc/35/40/14/660354014.db2.gz FAQYLRNUDJGLTR-UHFFFAOYSA-N 1 0 392.232 2.937 20 0 GFADRO CN(c1ccc(NC(=O)c2cc(Br)[nH]n2)cc1)C1CC[NH+](C)CC1 ZINC000822868411 660356075 /nfs/dbraw/zinc/35/60/75/660356075.db2.gz IGHZNRJNKLLCIW-UHFFFAOYSA-N 1 0 392.301 2.955 20 0 GFADRO FC(F)(F)COc1ccc(Cl)cc1-c1noc(C[C@@H]2COCC[NH2+]2)n1 ZINC000822979960 660359249 /nfs/dbraw/zinc/35/92/49/660359249.db2.gz ASVUXLOSXMBBLX-SNVBAGLBSA-N 1 0 377.750 2.862 20 0 GFADRO C[C@H]1[NH2+]CC[C@@H]1c1nc(Cc2cccc(F)c2I)no1 ZINC000822981058 660359360 /nfs/dbraw/zinc/35/93/60/660359360.db2.gz USLNWFPVCVNLLR-SCZZXKLOSA-N 1 0 387.196 2.870 20 0 GFADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)NCc1ncccn1 ZINC000822994931 660359599 /nfs/dbraw/zinc/35/95/99/660359599.db2.gz GSSUXYALIHGLSX-UHFFFAOYSA-N 1 0 392.301 2.513 20 0 GFADRO CO[C@@H](C[NH3+])Cc1nc(-c2cc(Br)sc2Br)no1 ZINC000823140619 660362844 /nfs/dbraw/zinc/36/28/44/660362844.db2.gz KHZOKWKDDRBPGO-RXMQYKEDSA-N 1 0 397.092 2.839 20 0 GFADRO C[NH+]1CCC2(CC1)CN(C(=O)c1ncc(C(F)(F)F)cc1Cl)CCO2 ZINC000823673569 660377712 /nfs/dbraw/zinc/37/77/12/660377712.db2.gz NVZWFRBHLUQVCT-UHFFFAOYSA-N 1 0 377.794 2.691 20 0 GFADRO C[C@@H]1C[C@@H](C[NH2+]CCCCCS(C)(=O)=O)CCN1C(=O)OC(C)(C)C ZINC000824203810 660387069 /nfs/dbraw/zinc/38/70/69/660387069.db2.gz YNQPEMDEQUGQLR-CVEARBPZSA-N 1 0 376.563 2.827 20 0 GFADRO O=C1OCCN1C[C@@H]1CC[N@@H+](CC2=Cc3cc(Br)ccc3OC2)C1 ZINC000824451357 660392146 /nfs/dbraw/zinc/39/21/46/660392146.db2.gz UQJJQAZIDAIQJI-CYBMUJFWSA-N 1 0 393.281 2.999 20 0 GFADRO CCn1ncc(C(=O)N[C@H]2CC[N@H+](Cc3cccc(C)c3)C2)c1Br ZINC000825328165 660421168 /nfs/dbraw/zinc/42/11/68/660421168.db2.gz LBQQVGKXWBIMBJ-HNNXBMFYSA-N 1 0 391.313 2.978 20 0 GFADRO O=C(c1ccoc1)N1CCC([NH2+]C[C@H](O)c2ccccc2Br)CC1 ZINC000825342519 660421527 /nfs/dbraw/zinc/42/15/27/660421527.db2.gz DOLRXCANYGCVKQ-KRWDZBQOSA-N 1 0 393.281 2.970 20 0 GFADRO Cc1nn2c(nc(C)c2C[NH2+]C[C@@H](O)c2ccccc2Br)s1 ZINC000825343881 660421691 /nfs/dbraw/zinc/42/16/91/660421691.db2.gz RCMWQSYGUAEPDD-CQSZACIVSA-N 1 0 381.299 2.993 20 0 GFADRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1c(Br)nc2n1CCC2 ZINC000825400620 660425393 /nfs/dbraw/zinc/42/53/93/660425393.db2.gz SEHABBCSGCIOTK-JHJVBQTASA-N 1 0 383.334 2.688 20 0 GFADRO Cn1nc(C(=O)N(CCCc2ccccc2)CC[NH+](C)C)cc1Br ZINC000825461056 660428503 /nfs/dbraw/zinc/42/85/03/660428503.db2.gz PVYOJURTTFXTDG-UHFFFAOYSA-N 1 0 393.329 2.819 20 0 GFADRO O=[S@](CC[NH2+]Cc1ccc(I)cc1)CC(F)(F)F ZINC000850351333 661771209 /nfs/dbraw/zinc/77/12/09/661771209.db2.gz ZPTIWMGQVXDPCB-GOSISDBHSA-N 1 0 391.196 2.692 20 0 GFADRO C[C@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)c1cc(Br)n(C)n1 ZINC000826586098 660458266 /nfs/dbraw/zinc/45/82/66/660458266.db2.gz SXZJSWNRQMWPNT-AWEZNQCLSA-N 1 0 391.313 2.919 20 0 GFADRO O=C(NC[C@H]1CC[N@@H+]1Cc1ccccc1)c1cc(=O)[nH]cc1Br ZINC000826636272 660459840 /nfs/dbraw/zinc/45/98/40/660459840.db2.gz SVEMIRASBPTMHA-CYBMUJFWSA-N 1 0 376.254 2.554 20 0 GFADRO O=C(NCC1CC[NH+](CC2CC2)CC1)c1cnn2cccc(Br)c12 ZINC000826686755 660461355 /nfs/dbraw/zinc/46/13/55/660461355.db2.gz UDJWTICMNSFZMJ-UHFFFAOYSA-N 1 0 391.313 2.949 20 0 GFADRO C[C@H]1C[C@@H](NC(=O)c2cc(Br)n(C)n2)C[N@@H+]1Cc1ccccc1 ZINC000826869833 660469223 /nfs/dbraw/zinc/46/92/23/660469223.db2.gz AHYNYZRLISEOLQ-GXTWGEPZSA-N 1 0 377.286 2.575 20 0 GFADRO O=C(C[C@H]1C(=O)Nc2c1cccc2Br)N1CCC([NH+]2CCC2)CC1 ZINC000826936589 660472330 /nfs/dbraw/zinc/47/23/30/660472330.db2.gz SFNBBNIDYCQWOZ-CQSZACIVSA-N 1 0 392.297 2.572 20 0 GFADRO Cc1nc2ccc(Br)cn2c1C(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000827267803 660486885 /nfs/dbraw/zinc/48/68/85/660486885.db2.gz OQBWLFUCUNOETO-TZMCWYRMSA-N 1 0 377.286 2.571 20 0 GFADRO Cc1csc(C(=O)N2CC[C@H]3[C@@H](CC[N@H+]3C)C2)c1I ZINC000827277213 660487541 /nfs/dbraw/zinc/48/75/41/660487541.db2.gz JAZMGNFEWLYIHP-QWRGUYRKSA-N 1 0 390.290 2.827 20 0 GFADRO C[N@@H+]1CC[C@H]2CN(C(=O)c3cc(=O)[nH]c4c(Br)cccc34)CC[C@H]21 ZINC000827312062 660488408 /nfs/dbraw/zinc/48/84/08/660488408.db2.gz UCGUPXYZRMYLRH-XHDPSFHLSA-N 1 0 390.281 2.869 20 0 GFADRO CC[N@H+](CC(=O)N1CC[C@@]2(C)[C@@H](C1)C2(Br)Br)C1CC1 ZINC000855321947 661983914 /nfs/dbraw/zinc/98/39/14/661983914.db2.gz DCHIXVGERMRPEQ-YPMHNXCESA-N 1 0 394.151 2.825 20 0 GFADRO Cn1c(C(=O)N2C[C@]3(C)C[N@H+](C)C[C@]3(C)C2)cc2cc(Br)cnc21 ZINC000827598241 660504070 /nfs/dbraw/zinc/50/40/70/660504070.db2.gz NNQMOCTYYGAKME-HDICACEKSA-N 1 0 391.313 2.750 20 0 GFADRO C[N@@H+]1CCC[C@H]1CNC(=O)c1cnn(Cc2ccccc2)c1Br ZINC000827625157 660505824 /nfs/dbraw/zinc/50/58/24/660505824.db2.gz JXPYGSKDYHTTHC-AWEZNQCLSA-N 1 0 377.286 2.518 20 0 GFADRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)[C@@]1(C)CC1(Br)Br ZINC000827898662 660522076 /nfs/dbraw/zinc/52/20/76/660522076.db2.gz RYJICIKREWSKPP-ZYHUDNBSSA-N 1 0 382.140 2.683 20 0 GFADRO C[C@H](NC(=O)c1cc(Br)n(C)n1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000828016468 660526453 /nfs/dbraw/zinc/52/64/53/660526453.db2.gz XPBBTYYCRBTBQY-DZGCQCFKSA-N 1 0 391.313 2.823 20 0 GFADRO [NH3+][C@H](CC(=O)N1CCC(C(=O)Nc2ccc(Br)cc2)CC1)C1CC1 ZINC000828075937 660530636 /nfs/dbraw/zinc/53/06/36/660530636.db2.gz OBMALIGYUUVSNE-MRXNPFEDSA-N 1 0 394.313 2.754 20 0 GFADRO Cc1ccc(Br)c(C(=O)N2CCC([NH2+]C3CCOCC3)CC2)n1 ZINC000829541792 660598322 /nfs/dbraw/zinc/59/83/22/660598322.db2.gz HOVBPYNPQUFZOS-UHFFFAOYSA-N 1 0 382.302 2.526 20 0 GFADRO COC(=O)[C@@H](c1cc(OC)ccc1Br)N(C)CC[NH+]1CCCC1 ZINC000831148447 660699495 /nfs/dbraw/zinc/69/94/95/660699495.db2.gz SBARLEBCCBOQOY-MRXNPFEDSA-N 1 0 385.302 2.699 20 0 GFADRO Cc1cc(Br)cn2cc(CCNC(=O)NCCCCCC[NH3+])nc12 ZINC000831150929 660699909 /nfs/dbraw/zinc/69/99/09/660699909.db2.gz PZJCJLNNXLQKOX-UHFFFAOYSA-N 1 0 396.333 2.766 20 0 GFADRO C[NH2+][C@H]1CCN(C(=O)c2cnn(-c3ncccc3Cl)c2C(F)(F)Cl)C1 ZINC000832250411 660768920 /nfs/dbraw/zinc/76/89/20/660768920.db2.gz PVGMAOIYUKVBHL-VIFPVBQESA-N 1 0 390.221 2.643 20 0 GFADRO C[C@@H]1CN(C(=O)c2cn3c(Br)cnc3s2)CC[N@@H+](C2CC2)C1 ZINC000832949793 660803956 /nfs/dbraw/zinc/80/39/56/660803956.db2.gz OYBMMDZHDNMUTK-JTQLQIEISA-N 1 0 383.315 2.715 20 0 GFADRO CC1([NH+]2CCC2)CCC(NC(=O)c2cc3ncc(Br)cn3n2)CC1 ZINC000834768784 660832555 /nfs/dbraw/zinc/83/25/55/660832555.db2.gz YJPYSRPVEFUBNT-UHFFFAOYSA-N 1 0 392.301 2.629 20 0 GFADRO C[C@@H]([NH2+]CCS(=O)(=O)C1CCOCC1)c1ccc(F)c(Br)c1 ZINC000834887932 660837156 /nfs/dbraw/zinc/83/71/56/660837156.db2.gz ZKQGEFRRPMVCAF-LLVKDONJSA-N 1 0 394.306 2.833 20 0 GFADRO O=C(NC/C=C\c1ccc(Br)cc1)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000836282117 660898167 /nfs/dbraw/zinc/89/81/67/660898167.db2.gz KIJRAEWSNREMRW-RRAAJAHGSA-N 1 0 394.313 2.625 20 0 GFADRO CCC[N@@H+]1CC[C@H](CNC(=O)NC[C@H](O)c2ccccc2Br)C1 ZINC000836326878 660899966 /nfs/dbraw/zinc/89/99/66/660899966.db2.gz NEQQPYNUESKBMZ-CJNGLKHVSA-N 1 0 384.318 2.514 20 0 GFADRO C[C@]1(CCNC(=O)N[C@H]2CCCC[C@@H]2N2CCOCC2)CC1(Cl)Cl ZINC000836362787 660901794 /nfs/dbraw/zinc/90/17/94/660901794.db2.gz UKELWSHTYRQHLF-DZKIICNBSA-N 1 0 378.344 2.903 20 0 GFADRO O=C(NC[C@@H](O)c1ccccc1Br)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000836428276 660905039 /nfs/dbraw/zinc/90/50/39/660905039.db2.gz JTJCKQSOHZFFOI-RHSMWYFYSA-N 1 0 396.329 2.799 20 0 GFADRO Cc1ncc(Br)cc1NC(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000836736980 660936579 /nfs/dbraw/zinc/93/65/79/660936579.db2.gz SFQWODUSFFSXFY-HNNXBMFYSA-N 1 0 397.317 2.917 20 0 GFADRO CC(C)[NH+](CCNC(=O)CCNC(=O)c1ccc(Br)cc1)C(C)C ZINC000016600065 654518764 /nfs/dbraw/zinc/51/87/64/654518764.db2.gz RTZCUNHVPCFYOT-UHFFFAOYSA-N 1 0 398.345 2.804 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)C[C@H]1Sc2ccccc2NC1=O)c1ccsc1 ZINC000025331509 654548502 /nfs/dbraw/zinc/54/85/02/654548502.db2.gz AYMKQANQJQLCRM-GOEBONIOSA-N 1 0 375.519 2.970 20 0 GFADRO O=C(CC[NH+]1CCN(c2ccc(Br)cn2)CC1)Nc1ccccc1 ZINC000030202122 654583502 /nfs/dbraw/zinc/58/35/02/654583502.db2.gz CKNFVMLKSBOTOE-UHFFFAOYSA-N 1 0 389.297 2.995 20 0 GFADRO COc1ccc(C(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)cc1Br ZINC000032268530 654600718 /nfs/dbraw/zinc/60/07/18/654600718.db2.gz AYKPPQHARBPPIF-AWEZNQCLSA-N 1 0 385.302 2.544 20 0 GFADRO O=S(=O)(N[C@@H]1CC[NH2+]C2(CCC2)C1)c1ccc(F)cc1Br ZINC000037574211 654615649 /nfs/dbraw/zinc/61/56/49/654615649.db2.gz CLIOVIUYBASHHD-LLVKDONJSA-N 1 0 377.279 2.541 20 0 GFADRO [NH3+]CCCCNS(=O)(=O)c1c(Cl)cc(Br)cc1Cl ZINC000037714567 654615849 /nfs/dbraw/zinc/61/58/49/654615849.db2.gz HWOZZOGYTYJXIB-UHFFFAOYSA-N 1 0 376.103 2.773 20 0 GFADRO CC(C)(C[NH+]1CCCC1)NC(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000837172302 660975492 /nfs/dbraw/zinc/97/54/92/660975492.db2.gz NALOSJZNIFZDQF-UHFFFAOYSA-N 1 0 378.416 2.584 20 0 GFADRO CC1(C)CCC[N@@H+]1CCNC(=O)c1cn(-c2ccccc2Br)nn1 ZINC000837176723 660975715 /nfs/dbraw/zinc/97/57/15/660975715.db2.gz HYTBBXDSRVHUJP-UHFFFAOYSA-N 1 0 392.301 2.634 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)NC[C@H](C)[NH+]1CCCC1 ZINC000041597913 654627503 /nfs/dbraw/zinc/62/75/03/654627503.db2.gz RZZXFMGNQRMHHD-ZDUSSCGKSA-N 1 0 382.302 2.605 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)NCCC[N@@H+](C)C(C)C ZINC000041716804 654630226 /nfs/dbraw/zinc/63/02/26/654630226.db2.gz AEOVKYHXVUGZFV-UHFFFAOYSA-N 1 0 384.318 2.851 20 0 GFADRO CN(CC(=O)NC1CC[NH+](C2CC2)CC1)Cc1ccc(Br)s1 ZINC000042385563 654639311 /nfs/dbraw/zinc/63/93/11/654639311.db2.gz JREMANVBAWAEOH-UHFFFAOYSA-N 1 0 386.359 2.685 20 0 GFADRO CN(Cc1csc(C(C)(C)O)n1)C(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000837345116 660987858 /nfs/dbraw/zinc/98/78/58/660987858.db2.gz LCAPCNLBSNMEDS-CYBMUJFWSA-N 1 0 382.555 2.876 20 0 GFADRO CC(C)([NH2+]CC(=O)NC(=O)NCc1ccco1)c1ccc(Br)cc1 ZINC000047258181 654691617 /nfs/dbraw/zinc/69/16/17/654691617.db2.gz QDRVENMADWAOLU-UHFFFAOYSA-N 1 0 394.269 2.893 20 0 GFADRO CSCC(=O)NCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000047538161 654696953 /nfs/dbraw/zinc/69/69/53/654696953.db2.gz SNHGICHAVPGIFO-UHFFFAOYSA-N 1 0 375.460 2.697 20 0 GFADRO C[NH+]1CCN(c2ccc(NC(=O)c3ccccc3Br)nc2)CC1 ZINC000047553031 654697295 /nfs/dbraw/zinc/69/72/95/654697295.db2.gz JJOATFDUMJCIGD-UHFFFAOYSA-N 1 0 375.270 2.848 20 0 GFADRO CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(Br)cc2Cl)CC1 ZINC000048883252 654713349 /nfs/dbraw/zinc/71/33/49/654713349.db2.gz LEINILAFVPUXLZ-UHFFFAOYSA-N 1 0 388.693 2.642 20 0 GFADRO C[C@@H](CNC(=O)c1ccc(F)cc1I)C[NH+]1CCCC1 ZINC000049092074 654714928 /nfs/dbraw/zinc/71/49/28/654714928.db2.gz FXGVBRFCIAYQSA-NSHDSACASA-N 1 0 390.240 2.892 20 0 GFADRO C[C@@H]1C[NH+](CCCNC(=O)CCc2ccccc2Br)C[C@@H](C)O1 ZINC000051353262 654723330 /nfs/dbraw/zinc/72/33/30/654723330.db2.gz VETSZPWAVREIFP-HUUCEWRRSA-N 1 0 383.330 2.997 20 0 GFADRO O[C@@H](COc1cccc(Br)c1)CN1CCC([NH+]2CCCC2)CC1 ZINC000051951809 654731003 /nfs/dbraw/zinc/73/10/03/654731003.db2.gz BPOMVHNVSYVGNP-QGZVFWFLSA-N 1 0 383.330 2.749 20 0 GFADRO Cc1cc(Br)ccc1C(=O)OCC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000051979290 654731747 /nfs/dbraw/zinc/73/17/47/654731747.db2.gz IINZHHPKGKXBHH-UHFFFAOYSA-N 1 0 395.297 2.657 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2c(Br)nc3n2CCCC3)[C@@H](C)C1 ZINC000837435949 660996987 /nfs/dbraw/zinc/99/69/87/660996987.db2.gz YLYQXEPVXVSCDY-STQMWFEESA-N 1 0 383.334 2.784 20 0 GFADRO C[C@@H](NC(=O)N[C@H]1CCC[N@H+](C)C1)c1cc2c(cc1Br)OCCO2 ZINC000052554396 654736776 /nfs/dbraw/zinc/73/67/76/654736776.db2.gz UULVOIVUUCTXFT-NEPJUHHUSA-N 1 0 398.301 2.675 20 0 GFADRO CCCC[N@H+](C)CCNC(=O)Nc1cc(Br)cnc1-n1cccn1 ZINC000122442943 654737322 /nfs/dbraw/zinc/73/73/22/654737322.db2.gz OOJKAVJDMWRPEX-UHFFFAOYSA-N 1 0 395.305 2.883 20 0 GFADRO Cc1sc(Br)cc1S(=O)(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000122445738 654737340 /nfs/dbraw/zinc/73/73/40/654737340.db2.gz PLCHSFCEXORMMS-LLVKDONJSA-N 1 0 379.345 2.678 20 0 GFADRO OCC1(C[NH2+]Cc2cc(Br)ccc2OCc2ccccn2)COC1 ZINC000123045436 654751147 /nfs/dbraw/zinc/75/11/47/654751147.db2.gz QODUCMDRUQQGSH-UHFFFAOYSA-N 1 0 393.281 2.522 20 0 GFADRO Cc1n[nH]c(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)c1Br ZINC000054675303 654762902 /nfs/dbraw/zinc/76/29/02/654762902.db2.gz LMMCTZCFOSONMA-UHFFFAOYSA-N 1 0 377.286 2.875 20 0 GFADRO Cc1[nH]nc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2C)c1Br ZINC000054705052 654763309 /nfs/dbraw/zinc/76/33/09/654763309.db2.gz UQRRQYMNKAOGRJ-UHFFFAOYSA-N 1 0 392.301 2.793 20 0 GFADRO O=C([C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Br)C1)N1CCOCC1 ZINC000054994423 654767094 /nfs/dbraw/zinc/76/70/94/654767094.db2.gz COLROEHEFSKUGV-CQSZACIVSA-N 1 0 385.277 2.659 20 0 GFADRO C[C@@H]1C[C@@H](NS(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)C[N@@H+]1C1CC1 ZINC000123979411 654767581 /nfs/dbraw/zinc/76/75/81/654767581.db2.gz HDMABZGGGPGJNJ-NXEZZACHSA-N 1 0 380.844 2.845 20 0 GFADRO CC(C)[NH+]1CCC(NC(=O)[C@@H]2CCCN2C(=O)c2ccc(Cl)s2)CC1 ZINC000055157617 654769550 /nfs/dbraw/zinc/76/95/50/654769550.db2.gz QDYKBWRTNHHZKB-AWEZNQCLSA-N 1 0 383.945 2.995 20 0 GFADRO C[C@H](C[NH+]1CCCCC1)NC(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000124321749 654774343 /nfs/dbraw/zinc/77/43/43/654774343.db2.gz VGLXRGPHGSNNQW-GFCCVEGCSA-N 1 0 375.441 2.679 20 0 GFADRO Cc1ccc(NC(=O)C(=O)N2CCC(CC[NH+](C)C)CC2)c(Br)c1 ZINC000124527172 654777381 /nfs/dbraw/zinc/77/73/81/654777381.db2.gz QXWDPBCEAJKHFD-UHFFFAOYSA-N 1 0 396.329 2.886 20 0 GFADRO C[C@@H]1C[C@H](N(C)C(=O)c2ccc(I)c(F)c2)CC[N@@H+]1C ZINC000124619546 654779825 /nfs/dbraw/zinc/77/98/25/654779825.db2.gz QIYBVGSXLRSVIC-ZYHUDNBSSA-N 1 0 390.240 2.985 20 0 GFADRO CCOc1c(Br)cc(Cl)cc1NC(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000124967194 654785104 /nfs/dbraw/zinc/78/51/04/654785104.db2.gz MAYHMGRMHHVCKN-SKDRFNHKSA-N 1 0 377.666 2.946 20 0 GFADRO C[NH+](C)CCn1cc(NC(=O)c2cc3c(cccc3Br)[nH]2)cn1 ZINC000125295446 654790288 /nfs/dbraw/zinc/79/02/88/654790288.db2.gz ZQJYLFAVAGLPDU-UHFFFAOYSA-N 1 0 376.258 2.941 20 0 GFADRO Cc1cc(NC(=O)C[N@@H+]2CCCC[C@@H]2[C@H]2CNC(=O)C2)ccc1Br ZINC000125437734 654794540 /nfs/dbraw/zinc/79/45/40/654794540.db2.gz DUUYYTFDVHFNPN-CZUORRHYSA-N 1 0 394.313 2.687 20 0 GFADRO O[C@H](COc1cc(Cl)ccc1Cl)CN1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000057941858 654812681 /nfs/dbraw/zinc/81/26/81/654812681.db2.gz FNHUXDVUHOSNOW-HOTGVXAUSA-N 1 0 389.323 2.530 20 0 GFADRO O=C(CCOc1ccc(Cl)cc1Cl)NCCCC[NH+]1CCOCC1 ZINC000058900317 654823925 /nfs/dbraw/zinc/82/39/25/654823925.db2.gz MBWKVCBQAREMHD-UHFFFAOYSA-N 1 0 375.296 2.991 20 0 GFADRO C[C@H](CCS(C)(=O)=O)[NH2+][C@@H](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000127201480 654826383 /nfs/dbraw/zinc/82/63/83/654826383.db2.gz WKCTZRXWWMCTKV-NEPJUHHUSA-N 1 0 380.432 2.835 20 0 GFADRO CC(C)[NH+](CCNS(=O)(=O)c1cc(Br)ccc1F)C(C)C ZINC000060321193 654827480 /nfs/dbraw/zinc/82/74/80/654827480.db2.gz NOYQNQIYFNIJIK-UHFFFAOYSA-N 1 0 381.311 2.985 20 0 GFADRO CCC[N@H+](C)CC(=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000060974385 654834821 /nfs/dbraw/zinc/83/48/21/654834821.db2.gz QKEMTXADQFQIAF-UHFFFAOYSA-N 1 0 378.826 2.744 20 0 GFADRO O=c1[nH]c2ccccc2cc1C[NH2+]CCNS(=O)(=O)c1ccc(Cl)s1 ZINC000127921002 654837648 /nfs/dbraw/zinc/83/76/48/654837648.db2.gz NTNLZBFMIJBUGR-UHFFFAOYSA-N 1 0 397.909 2.723 20 0 GFADRO CC(C)C[C@H](NC(=O)CSc1ccc(Cl)cc1)C(=O)NCC[NH+](C)C ZINC000127973749 654839154 /nfs/dbraw/zinc/83/91/54/654839154.db2.gz VAIRJZGMYCJMDK-INIZCTEOSA-N 1 0 385.961 2.641 20 0 GFADRO [NH3+][C@@H]1CCCC[C@H]1NC(=O)CCc1nc(-c2cc(Br)cs2)no1 ZINC000128154217 654842102 /nfs/dbraw/zinc/84/21/02/654842102.db2.gz LKZFEWRRDJWUAD-GHMZBOCLSA-N 1 0 399.314 2.879 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000128384387 654845332 /nfs/dbraw/zinc/84/53/32/654845332.db2.gz ZXUDABNJXWFFRW-RRFJBIMHSA-N 1 0 384.567 2.737 20 0 GFADRO C[NH+]1CCC(NC(=S)Nc2cc3c(cc2Br)OCCO3)CC1 ZINC000063144087 654849772 /nfs/dbraw/zinc/84/97/72/654849772.db2.gz QNJPTMBZHIVCMJ-UHFFFAOYSA-N 1 0 386.315 2.601 20 0 GFADRO CN(CC(=O)NC1CC[NH+](C2CC2)CC1)Cc1cc(Br)ccc1F ZINC000063741897 654857088 /nfs/dbraw/zinc/85/70/88/654857088.db2.gz SDSITYAYFKDPJF-UHFFFAOYSA-N 1 0 398.320 2.763 20 0 GFADRO CC[NH+](CC)CCOc1ccc(CNC(=O)CSc2nncs2)cc1 ZINC000063811082 654858514 /nfs/dbraw/zinc/85/85/14/654858514.db2.gz QGRZSZHFRVYREU-UHFFFAOYSA-N 1 0 380.539 2.667 20 0 GFADRO C[C@H]1C[NH+](CC2CCN(C(=O)CSCc3cscn3)CC2)C[C@H](C)O1 ZINC000129171440 654858868 /nfs/dbraw/zinc/85/88/68/654858868.db2.gz IVQKWOLAFZCJKD-GJZGRUSLSA-N 1 0 383.583 2.724 20 0 GFADRO Cc1sc(Br)cc1S(=O)(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000129176548 654859181 /nfs/dbraw/zinc/85/91/81/654859181.db2.gz YDGDZJSSRFRXNJ-VXGBXAGGSA-N 1 0 393.372 2.924 20 0 GFADRO O=C(CN1CC[NH+](CC2CCCCC2)CC1)Nc1ccc(Br)cn1 ZINC000064129419 654862808 /nfs/dbraw/zinc/86/28/08/654862808.db2.gz JGHVIKTXGAKYAR-UHFFFAOYSA-N 1 0 395.345 2.981 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1 ZINC000065627685 654882827 /nfs/dbraw/zinc/88/28/27/654882827.db2.gz LJSVXQWTLAKTCX-WFASDCNBSA-N 1 0 384.307 2.947 20 0 GFADRO Cc1c(Cl)cccc1NC(=S)N1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000065711074 654885331 /nfs/dbraw/zinc/88/53/31/654885331.db2.gz JEPSTBMDLQBEOR-UHFFFAOYSA-N 1 0 382.961 2.735 20 0 GFADRO C[NH+](C)C1CN(C(=O)Nc2nnc(-c3cccc(Br)c3)s2)C1 ZINC000130463262 654889101 /nfs/dbraw/zinc/88/91/01/654889101.db2.gz CUIFZCRWAILXMG-UHFFFAOYSA-N 1 0 382.287 2.745 20 0 GFADRO CC(C)[NH+]1CCC(N(C)S(=O)(=O)c2cc3c(cc2Cl)OCCO3)CC1 ZINC000066096173 654894465 /nfs/dbraw/zinc/89/44/65/654894465.db2.gz OEYXABTYLTWPGR-UHFFFAOYSA-N 1 0 388.917 2.605 20 0 GFADRO O=S(=O)(c1ccc(OC(F)F)c(Cl)c1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000066105877 654894901 /nfs/dbraw/zinc/89/49/01/654894901.db2.gz PVMNXVYUDWSGNX-LLVKDONJSA-N 1 0 380.844 2.800 20 0 GFADRO CC[C@@H](C)[N@H+](C)CCNC(=O)NCCC(=O)Nc1ccc(Br)cc1 ZINC000066187333 654896263 /nfs/dbraw/zinc/89/62/63/654896263.db2.gz RTPMAWSHUKGTPJ-CYBMUJFWSA-N 1 0 399.333 2.807 20 0 GFADRO C[C@H]1CCC[C@H](C)[NH+]1CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000066531879 654905408 /nfs/dbraw/zinc/90/54/08/654905408.db2.gz TZNPMDZXQOXHDX-STQMWFEESA-N 1 0 387.933 2.792 20 0 GFADRO O=C(NCCCC[N@H+]1CCC[C@H]1CO)C1(c2cccc(Br)c2)CC1 ZINC000131437931 654906737 /nfs/dbraw/zinc/90/67/37/654906737.db2.gz SZWFBONSBYPPAS-KRWDZBQOSA-N 1 0 395.341 2.834 20 0 GFADRO CCCC(=O)N1CSC[C@H]1C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000066602463 654909125 /nfs/dbraw/zinc/90/91/25/654909125.db2.gz HRXXWRVCXIJAIP-GJZGRUSLSA-N 1 0 381.567 2.703 20 0 GFADRO CC(=O)Nc1nc(C(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)cs1 ZINC000131608121 654910857 /nfs/dbraw/zinc/91/08/57/654910857.db2.gz WJPGJPBXUDTARG-WFASDCNBSA-N 1 0 378.523 2.976 20 0 GFADRO NS(=O)(=O)c1ccc(CC[N@@H+]2CC[C@@H](Oc3ccccc3Cl)C2)cc1 ZINC000131615424 654911319 /nfs/dbraw/zinc/91/13/19/654911319.db2.gz JWDYZMJUJAJJHV-OAHLLOKOSA-N 1 0 380.897 2.683 20 0 GFADRO Cn1cc(C(=O)NC[C@@]2([NH+](C)C)CCSC2)c(-c2ccccc2Cl)n1 ZINC000267158121 654914016 /nfs/dbraw/zinc/91/40/16/654914016.db2.gz YHHQKMHPXYGQQX-SFHVURJKSA-N 1 0 378.929 2.908 20 0 GFADRO CC(=O)Nc1ccc(S(=O)(=O)NCCC[N@H+]2CCCC[C@H]2C)cc1Cl ZINC000267181975 654915357 /nfs/dbraw/zinc/91/53/57/654915357.db2.gz KENPBQQDBQIBOQ-CYBMUJFWSA-N 1 0 387.933 2.841 20 0 GFADRO CCOC(=O)N1CCC([NH2+]Cc2nc3ccccn3c2Br)CC1 ZINC000267220846 654918448 /nfs/dbraw/zinc/91/84/48/654918448.db2.gz VZNOSIDOGPETIB-UHFFFAOYSA-N 1 0 381.274 2.807 20 0 GFADRO C[N@H+](CCNC(=O)[C@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1)C1CC1 ZINC000066924121 654921738 /nfs/dbraw/zinc/92/17/38/654921738.db2.gz DXORKEKOZCIARH-MRXNPFEDSA-N 1 0 384.307 2.808 20 0 GFADRO C[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)C1 ZINC000067044573 654927484 /nfs/dbraw/zinc/92/74/84/654927484.db2.gz PJYOPCPZMXLVKA-KBPBESRZSA-N 1 0 384.307 2.899 20 0 GFADRO CC[N@@H+]1CCCC[C@H]1CNC(=O)N(C)C[C@@H](O)c1ccccc1Br ZINC000838426886 661043624 /nfs/dbraw/zinc/04/36/24/661043624.db2.gz IACFIPUCDILHHZ-WMLDXEAASA-N 1 0 398.345 2.998 20 0 GFADRO CCc1ncc(C[NH2+]C2CCN(S(=O)(=O)Cc3ccccc3)CC2)s1 ZINC000267611453 654938039 /nfs/dbraw/zinc/93/80/39/654938039.db2.gz HSYOAIBIUIBOAM-UHFFFAOYSA-N 1 0 379.551 2.790 20 0 GFADRO CC(=O)N1CSC[C@@H]1C(=O)NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000132459514 654938279 /nfs/dbraw/zinc/93/82/79/654938279.db2.gz WIUNZUCMNBEJQS-JKSUJKDBSA-N 1 0 381.567 2.559 20 0 GFADRO Cc1ccc(NC(=O)NC[C@@H](O)C[NH+]2CCC(C)CC2)cc1Br ZINC000067539401 654940711 /nfs/dbraw/zinc/94/07/11/654940711.db2.gz YIBVMWJMQOPTOI-OAHLLOKOSA-N 1 0 384.318 2.972 20 0 GFADRO C[C@@H](NC(=O)NC[C@H](O)C[NH+]1CCC(C)CC1)c1ccc(Br)cc1 ZINC000067582598 654941371 /nfs/dbraw/zinc/94/13/71/654941371.db2.gz WVUCQFQTNNZNHV-PBHICJAKSA-N 1 0 398.345 2.902 20 0 GFADRO O=C(NCCCC[NH+]1CCN(Cc2ccccc2)CC1)[C@H]1CC1(Cl)Cl ZINC000132689979 654945891 /nfs/dbraw/zinc/94/58/91/654945891.db2.gz LIPGSEPXDKLLBE-QGZVFWFLSA-N 1 0 384.351 2.894 20 0 GFADRO CC[N@@H+]1CCCN(C(=O)c2cn(-c3ccc(Br)cc3)cn2)CC1 ZINC000132710615 654946800 /nfs/dbraw/zinc/94/68/00/654946800.db2.gz OZHOURIRAIUJRY-UHFFFAOYSA-N 1 0 377.286 2.803 20 0 GFADRO O=S(=O)(NCCC[NH+]1CCCC1)c1cc(Br)ccc1Cl ZINC000067946803 654949812 /nfs/dbraw/zinc/94/98/12/654949812.db2.gz DSLHQABKBMPSSE-UHFFFAOYSA-N 1 0 381.723 2.867 20 0 GFADRO O=C(NC1CC[NH+](CCOc2ccc(F)cc2)CC1)[C@@H]1CC1(Cl)Cl ZINC000267904434 654951200 /nfs/dbraw/zinc/95/12/00/654951200.db2.gz ZQMBLAIYOQCVIK-HNNXBMFYSA-N 1 0 375.271 2.979 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)[C@@H]1CSCN1C(=O)CC(C)(C)C)c1ccsc1 ZINC000068393578 654961427 /nfs/dbraw/zinc/96/14/27/654961427.db2.gz WDWJOQXBBFZTMA-CABCVRRESA-N 1 0 383.583 2.805 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000133530147 654966210 /nfs/dbraw/zinc/96/62/10/654966210.db2.gz CTZNMPYLKALULX-LBPRGKRZSA-N 1 0 384.318 2.789 20 0 GFADRO CC(C)[N@@H+]1CCCN(C(=O)c2ccc(F)cc2I)CC1 ZINC000068778719 654967707 /nfs/dbraw/zinc/96/77/07/654967707.db2.gz QPVVMTWTPKWMPI-UHFFFAOYSA-N 1 0 390.240 2.987 20 0 GFADRO CC(C)[N@@H+]1CCCN(C(=O)c2cc(F)ccc2I)CC1 ZINC000068777002 654967837 /nfs/dbraw/zinc/96/78/37/654967837.db2.gz DJYBNMKHOYJGCN-UHFFFAOYSA-N 1 0 390.240 2.987 20 0 GFADRO C[NH+](C)CCCC1CCN(C(=O)CCn2cc(Br)ccc2=O)CC1 ZINC000133718289 654971911 /nfs/dbraw/zinc/97/19/11/654971911.db2.gz CCIZZAJTPGWCKA-UHFFFAOYSA-N 1 0 398.345 2.581 20 0 GFADRO O=C(NC1CC[NH+](C2CC2)CC1)c1cc(I)ccc1F ZINC000268460139 654972665 /nfs/dbraw/zinc/97/26/65/654972665.db2.gz DSXQQHGIVJHJFG-UHFFFAOYSA-N 1 0 388.224 2.787 20 0 GFADRO O=C(CCOc1cccc(Br)c1)NCCCC[N@H+]1CCC[C@H]1CO ZINC000133841376 654975115 /nfs/dbraw/zinc/97/51/15/654975115.db2.gz CIUMRDHMFUCICA-INIZCTEOSA-N 1 0 399.329 2.571 20 0 GFADRO CCO[C@H]1C[C@]([NH3+])(C(=O)Nc2cccc(I)c2)C1(C)C ZINC000133889167 654976365 /nfs/dbraw/zinc/97/63/65/654976365.db2.gz SAJGEQYARIJSCS-WFASDCNBSA-N 1 0 388.249 2.762 20 0 GFADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)CCCOc1ccccc1Br ZINC000069504272 654982211 /nfs/dbraw/zinc/98/22/11/654982211.db2.gz YZOVATUTUAZWQD-OAHLLOKOSA-N 1 0 399.329 2.835 20 0 GFADRO C[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(CCn2cc(Br)cn2)cc1 ZINC000134121017 654983677 /nfs/dbraw/zinc/98/36/77/654983677.db2.gz QZUDHTOGSSPLDD-INIZCTEOSA-N 1 0 377.286 2.921 20 0 GFADRO Brc1ccc2nc(CN3CCC[C@@H](C[NH+]4CCOCC4)C3)cn2c1 ZINC000069803345 654986624 /nfs/dbraw/zinc/98/66/24/654986624.db2.gz DFFIOLOUHIESRR-HNNXBMFYSA-N 1 0 393.329 2.641 20 0 GFADRO C[C@@H](NCc1cn2ccsc2n1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000268819155 654987878 /nfs/dbraw/zinc/98/78/78/654987878.db2.gz RCSGVHZMTGFMCE-CYBMUJFWSA-N 1 0 376.507 2.787 20 0 GFADRO COc1ccccc1S(=O)(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000069870354 654988369 /nfs/dbraw/zinc/98/83/69/654988369.db2.gz NDAAMONKMZDIJJ-UHFFFAOYSA-N 1 0 384.567 2.725 20 0 GFADRO O=C(NCC1([NH+]2CCCC2)CCOCC1)Nc1ccc(Br)nc1 ZINC000268853511 654989218 /nfs/dbraw/zinc/98/92/18/654989218.db2.gz CHZPJYNCGMIJQB-UHFFFAOYSA-N 1 0 383.290 2.611 20 0 GFADRO COC[C@](C)(O)C[NH2+]Cc1cc(Br)cc(Br)c1OC ZINC000069912522 654989265 /nfs/dbraw/zinc/98/92/65/654989265.db2.gz BUGBZZXQGNGQET-CYBMUJFWSA-N 1 0 397.107 2.707 20 0 GFADRO COCC[C@](C)(O)C[NH2+][C@@H](C)c1nnn(-c2cccc(Br)c2)c1C ZINC000268929854 654991639 /nfs/dbraw/zinc/99/16/39/654991639.db2.gz QNWLYKLEJZIATL-SJCJKPOMSA-N 1 0 397.317 2.776 20 0 GFADRO CC[C@](C)(CCO)[NH2+]Cc1cc(I)c(OC)c(OC)c1 ZINC000134460849 654993503 /nfs/dbraw/zinc/99/35/03/654993503.db2.gz MGICWAUSCZWVBJ-OAHLLOKOSA-N 1 0 393.265 2.949 20 0 GFADRO CC[C@@]1(C(=O)NCCc2ccc(I)s2)CCC[NH2+]1 ZINC000134471437 654993906 /nfs/dbraw/zinc/99/39/06/654993906.db2.gz DPBTYWSCVNDNDB-ZDUSSCGKSA-N 1 0 378.279 2.544 20 0 GFADRO C[C@H]([NH2+]CCCC(F)(F)F)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000269014348 654995198 /nfs/dbraw/zinc/99/51/98/654995198.db2.gz YESHVJMTVDTFOK-ZDUSSCGKSA-N 1 0 380.432 2.701 20 0 GFADRO O=C(NCc1ccc(Br)cc1)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000269014132 654995280 /nfs/dbraw/zinc/99/52/80/654995280.db2.gz MQPCZIBMICDYBW-SJORKVTESA-N 1 0 396.329 2.626 20 0 GFADRO C[C@@H](NC(=O)c1ccc(I)c(F)c1)[C@@H]1CCC[NH2+]C1 ZINC000269225543 655002207 /nfs/dbraw/zinc/00/22/07/655002207.db2.gz UNOQEBONCDSQNM-MWLCHTKSSA-N 1 0 376.213 2.548 20 0 GFADRO C[S@](=O)Cc1cc(NC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)ccc1Cl ZINC000269296153 655004589 /nfs/dbraw/zinc/00/45/89/655004589.db2.gz RRMWWYITDARVGH-NSYGIPOTSA-N 1 0 384.929 2.800 20 0 GFADRO C[S@](=O)Cc1cc(NC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)ccc1Cl ZINC000269296152 655004656 /nfs/dbraw/zinc/00/46/56/655004656.db2.gz RRMWWYITDARVGH-GKVSMKOHSA-N 1 0 384.929 2.800 20 0 GFADRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)NCCOc2ncc(Cl)cc2Cl)C1 ZINC000134877120 655004847 /nfs/dbraw/zinc/00/48/47/655004847.db2.gz SPWNFKWMJCSSCH-STQMWFEESA-N 1 0 375.300 2.939 20 0 GFADRO CC[C@@H](C)[C@H](NC(=O)C[N@H+](C)CCc1ccc(Br)cc1)C(=O)OC ZINC000078611010 655004892 /nfs/dbraw/zinc/00/48/92/655004892.db2.gz AFLBNBJVAAIBLQ-DYVFJYSZSA-N 1 0 399.329 2.627 20 0 GFADRO CN(CC1CC[NH+](C)CC1)C(=O)NCCOc1ncc(Cl)cc1Cl ZINC000134878007 655005086 /nfs/dbraw/zinc/00/50/86/655005086.db2.gz OKRNNXBUGXNIJD-UHFFFAOYSA-N 1 0 375.300 2.750 20 0 GFADRO C[NH+](C)[C@@H]1CCN(c2ccc(NC(=O)c3ccc(Br)nc3)nc2)C1 ZINC000269400549 655008434 /nfs/dbraw/zinc/00/84/34/655008434.db2.gz DALNKJAIYNEOEW-CQSZACIVSA-N 1 0 390.285 2.632 20 0 GFADRO [NH3+]C[C@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc(Br)cc1Cl ZINC000091323975 655008526 /nfs/dbraw/zinc/00/85/26/655008526.db2.gz CQDMOFWJAYPKOY-SKDRFNHKSA-N 1 0 381.723 2.898 20 0 GFADRO C[NH+](C)CCCCNC(=O)c1cc(I)c(F)cc1F ZINC000269452779 655009918 /nfs/dbraw/zinc/00/99/18/655009918.db2.gz SYSQOSLTXXCKKK-UHFFFAOYSA-N 1 0 382.192 2.641 20 0 GFADRO CCOC(=O)C1(NC(=O)[C@H](C)Sc2ccccc2Cl)CC[NH+](C)CC1 ZINC000135452491 655017312 /nfs/dbraw/zinc/01/73/12/655017312.db2.gz FZWHFDAJHACBQN-ZDUSSCGKSA-N 1 0 384.929 2.964 20 0 GFADRO CC(C)c1nn(-c2ccc(Br)cc2)cc1C[N@H+](CCO)CCCO ZINC000093324106 655018594 /nfs/dbraw/zinc/01/85/94/655018594.db2.gz XCRLTFIQLBZXDP-UHFFFAOYSA-N 1 0 396.329 2.935 20 0 GFADRO C[NH+](C)C[C@@H]1CCN(C(=O)[C@@H](c2ccc(Br)cc2)N2CCCC2)C1 ZINC000135562737 655020418 /nfs/dbraw/zinc/02/04/18/655020418.db2.gz KAGBDZAPCHNWOY-MAUKXSAKSA-N 1 0 394.357 2.996 20 0 GFADRO CC(C)[NH+]1CCC(O)(CNS(=O)(=O)c2cc(Cl)sc2Cl)CC1 ZINC000269774996 655021267 /nfs/dbraw/zinc/02/12/67/655021267.db2.gz HADUXXFWLXDDMN-UHFFFAOYSA-N 1 0 387.354 2.569 20 0 GFADRO COc1ccc(CC[NH2+]Cc2ccc(Cl)c(Cl)c2)cc1S(N)(=O)=O ZINC000094013876 655026012 /nfs/dbraw/zinc/02/60/12/655026012.db2.gz CSPOMDVVADDWAR-UHFFFAOYSA-N 1 0 389.304 2.982 20 0 GFADRO C[C@H]1CCC[C@@](CNC(=O)c2cnn3cc(Br)cnc23)([NH+](C)C)C1 ZINC000094036036 655026543 /nfs/dbraw/zinc/02/65/43/655026543.db2.gz MTSIWJPTKUQFEM-YVEFUNNKSA-N 1 0 394.317 2.732 20 0 GFADRO O=S(=O)(C1CCOCC1)N1CCC([NH2+]Cc2ccc(F)cc2Cl)CC1 ZINC000136175455 655028264 /nfs/dbraw/zinc/02/82/64/655028264.db2.gz FKFONERIFDJNKM-UHFFFAOYSA-N 1 0 390.908 2.542 20 0 GFADRO O=C(NCCn1ccnc1)Nc1cc(I)ccc1Cl ZINC000136351830 655030298 /nfs/dbraw/zinc/03/02/98/655030298.db2.gz YMSABYDEDTWNLS-UHFFFAOYSA-N 1 0 390.612 2.963 20 0 GFADRO CN(CC[NH+](C)C)C(=O)Nc1cc(I)ccc1Cl ZINC000136359575 655030603 /nfs/dbraw/zinc/03/06/03/655030603.db2.gz LVNJXDOXIPUUCY-UHFFFAOYSA-N 1 0 381.645 2.970 20 0 GFADRO COc1c(Br)cc(C[NH2+]CCc2nnc[nH]2)cc1Br ZINC000096767253 655032276 /nfs/dbraw/zinc/03/22/76/655032276.db2.gz MQNCZYLVXYOWQG-UHFFFAOYSA-N 1 0 390.079 2.671 20 0 GFADRO C[NH+]1CCC([C@@H]2CCN(C(=O)c3cc(S(C)(=O)=O)ccc3Cl)C2)CC1 ZINC000270054478 655032668 /nfs/dbraw/zinc/03/26/68/655032668.db2.gz CYFDRYZFTIHYTK-CQSZACIVSA-N 1 0 384.929 2.547 20 0 GFADRO C[C@H]1C[NH+](CC2CCN(C(=O)c3cccc(Br)n3)CC2)C[C@H](C)O1 ZINC000136848938 655036019 /nfs/dbraw/zinc/03/60/19/655036019.db2.gz YZCHRAZTNIPFBZ-KBPBESRZSA-N 1 0 396.329 2.806 20 0 GFADRO C[C@@H]1Cc2cc(S(=O)(=O)N[C@@H]3CC[N@@H+](C4CCCC4)C3)cc(Cl)c2O1 ZINC000097590944 655036523 /nfs/dbraw/zinc/03/65/23/655036523.db2.gz BDQNPFDQORFREB-TZMCWYRMSA-N 1 0 384.929 2.959 20 0 GFADRO CCS(=O)(=O)N1CCC([NH2+]Cc2ccc(Br)c(C)c2)CC1 ZINC000097990221 655038168 /nfs/dbraw/zinc/03/81/68/655038168.db2.gz FPYHKRYJXCPELS-UHFFFAOYSA-N 1 0 375.332 2.661 20 0 GFADRO COc1cc(Br)c(CNC(=O)C[NH+]2CCC(C)CC2)cc1OC ZINC000137495680 655040702 /nfs/dbraw/zinc/04/07/02/655040702.db2.gz AKNWMQYQTYURHS-UHFFFAOYSA-N 1 0 385.302 2.814 20 0 GFADRO C[NH+]1CCC(CNC(=O)C2(c3ccc(Br)cc3)CCOCC2)CC1 ZINC000101522297 655042289 /nfs/dbraw/zinc/04/22/89/655042289.db2.gz MMWCZSZQGYBTCG-UHFFFAOYSA-N 1 0 395.341 2.955 20 0 GFADRO CC[NH+]1CCN([C@@H](C)CNC(=O)Cc2csc(-c3cccs3)n2)CC1 ZINC000101687563 655046065 /nfs/dbraw/zinc/04/60/65/655046065.db2.gz MZPCNACXZACXDE-AWEZNQCLSA-N 1 0 378.567 2.556 20 0 GFADRO CC(C)[NH+]1CCC(O)(CNC(=O)[C@H](C)Cc2ccc(Br)cc2)CC1 ZINC000270852505 655057936 /nfs/dbraw/zinc/05/79/36/655057936.db2.gz KBKGWRDTGODQMJ-OAHLLOKOSA-N 1 0 397.357 2.979 20 0 GFADRO COC(=O)c1nn(CN2CCC[C@@H]([NH+]3CCCC3)CC2)c(C)c1Br ZINC000153450428 655067012 /nfs/dbraw/zinc/06/70/12/655067012.db2.gz MIFYEJBUOVRXNY-CQSZACIVSA-N 1 0 399.333 2.648 20 0 GFADRO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)/C=C/c1ccc(I)o1 ZINC000153853653 655071501 /nfs/dbraw/zinc/07/15/01/655071501.db2.gz ACFNNLJOIHWKLD-IYNGYCSASA-N 1 0 388.249 2.696 20 0 GFADRO O=C(CC[N@@H+](CCn1ccnc1)Cc1ccc(Br)o1)N1CCCC1 ZINC000839005927 661067927 /nfs/dbraw/zinc/06/79/27/661067927.db2.gz OXEXKZMNFQDZNA-UHFFFAOYSA-N 1 0 395.301 2.753 20 0 GFADRO C[N@@H+]1CC[C@H](CNC(=O)CSCc2ccc(Br)cc2F)C1 ZINC000104186067 655079121 /nfs/dbraw/zinc/07/91/21/655079121.db2.gz KQHFECNJKFMRQR-LLVKDONJSA-N 1 0 375.307 2.889 20 0 GFADRO COc1cc[nH+]c(N2CCN(C(=O)c3cc(F)ccc3Br)CC2)c1 ZINC000104516915 655081650 /nfs/dbraw/zinc/08/16/50/655081650.db2.gz VUWMKKRPXVPSDM-UHFFFAOYSA-N 1 0 394.244 2.954 20 0 GFADRO CC[NH+](CC)CCN(CCOC)C(=O)c1cc(Br)cnc1Cl ZINC000104554868 655082084 /nfs/dbraw/zinc/08/20/84/655082084.db2.gz JLXJYKUOEUWZAT-UHFFFAOYSA-N 1 0 392.725 2.928 20 0 GFADRO CN(C)S(=O)(=O)CCC[NH2+]C1(c2ccc(Br)cc2)CCC1 ZINC000104676340 655083896 /nfs/dbraw/zinc/08/38/96/655083896.db2.gz MVPNCQANQCXMEA-UHFFFAOYSA-N 1 0 375.332 2.699 20 0 GFADRO Cc1sc(Br)cc1S(=O)(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000155459663 655084973 /nfs/dbraw/zinc/08/49/73/655084973.db2.gz PVWALWSQPQYQJQ-QWRGUYRKSA-N 1 0 381.361 2.970 20 0 GFADRO C[C@H]([NH2+]Cc1cccc2nsnc21)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000271646171 655089475 /nfs/dbraw/zinc/08/94/75/655089475.db2.gz GYTJNKIQSKUHGR-LBPRGKRZSA-N 1 0 376.507 2.792 20 0 GFADRO COc1ccc(Br)c(C(=O)NCCC[NH2+][C@@H]2CCO[C@@H](C)C2)c1 ZINC000271762592 655093997 /nfs/dbraw/zinc/09/39/97/655093997.db2.gz SVTACJYRVMXMFU-QWHCGFSZSA-N 1 0 385.302 2.735 20 0 GFADRO COCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(Br)cc2C(F)(F)F)C1 ZINC000271868500 655097156 /nfs/dbraw/zinc/09/71/56/655097156.db2.gz NHCOYCSIRKLYGE-LLVKDONJSA-N 1 0 395.219 2.918 20 0 GFADRO C[C@@H](CNC(=O)NCC1=CC[N@H+](C)CC1)Oc1ccccc1Br ZINC000271865238 655097204 /nfs/dbraw/zinc/09/72/04/655097204.db2.gz JBQHKWAWPGVXDY-ZDUSSCGKSA-N 1 0 382.302 2.778 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)C2(c3ccc(Br)cc3)CCOCC2)C1 ZINC000272174135 655105008 /nfs/dbraw/zinc/10/50/08/655105008.db2.gz CITFGTXULFEOCX-UONOGXRCSA-N 1 0 381.314 2.693 20 0 GFADRO C[NH+](C)CCN(Cc1ccco1)S(=O)(=O)c1c(Cl)ccnc1Cl ZINC000272243091 655106988 /nfs/dbraw/zinc/10/69/88/655106988.db2.gz RGTFPLUVWLLYCE-UHFFFAOYSA-N 1 0 378.281 2.734 20 0 GFADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)CSCc3ccc(Cl)cc3)C2)CC1 ZINC000106799326 655111584 /nfs/dbraw/zinc/11/15/84/655111584.db2.gz DVIIPFGDOXONOU-GOSISDBHSA-N 1 0 381.973 2.812 20 0 GFADRO CC(C)[C@H](C(=O)N1CCN(C(=O)c2c(Cl)cccc2Cl)CC1)[NH+](C)C ZINC000106909923 655114365 /nfs/dbraw/zinc/11/43/65/655114365.db2.gz PZDNDQXEPFPOID-MRXNPFEDSA-N 1 0 386.323 2.864 20 0 GFADRO COc1c(O)cccc1C[NH2+]C[C@@H](O)COc1ccccc1Br ZINC000272499888 655114831 /nfs/dbraw/zinc/11/48/31/655114831.db2.gz VMMANQIKVAFUCE-CYBMUJFWSA-N 1 0 382.254 2.693 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000106962884 655115859 /nfs/dbraw/zinc/11/58/59/655115859.db2.gz QEZYVTDPGUMDJR-AWEZNQCLSA-N 1 0 394.313 2.829 20 0 GFADRO CN(CCOc1ccc(Br)cc1)C(=O)C[N@H+](C)C[C@@H]1CCCOC1 ZINC000107694159 655123875 /nfs/dbraw/zinc/12/38/75/655123875.db2.gz HLDQBEPBRBCSDB-HNNXBMFYSA-N 1 0 399.329 2.645 20 0 GFADRO CN(C(=O)c1cc(F)c(F)cc1I)C1CCC([NH3+])CC1 ZINC000161425333 655127031 /nfs/dbraw/zinc/12/70/31/655127031.db2.gz ZHYAJINUZKTPIN-UHFFFAOYSA-N 1 0 394.203 2.911 20 0 GFADRO CCc1c(C(=O)NC[C@@H]2CC[NH2+]C2)cnn1-c1ccc(Br)cc1 ZINC000273009132 655127650 /nfs/dbraw/zinc/12/76/50/655127650.db2.gz IWSRFTGETZJUSS-GFCCVEGCSA-N 1 0 377.286 2.537 20 0 GFADRO Cc1nn(-c2ccc(C(=O)NC[C@@H]3CC[NH2+]C3)cc2)c(C)c1Br ZINC000273030914 655128111 /nfs/dbraw/zinc/12/81/11/655128111.db2.gz MRNBXJAPRKTURO-CYBMUJFWSA-N 1 0 377.286 2.591 20 0 GFADRO COc1cc(Cl)c(S(=O)(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)cc1Cl ZINC000108403913 655131943 /nfs/dbraw/zinc/13/19/43/655131943.db2.gz AQDBRMPGRHAVCT-LLVKDONJSA-N 1 0 379.309 2.765 20 0 GFADRO C[C@H](CNC(=O)C(=O)Nc1ccc(Br)c(Cl)c1Cl)[NH+](C)C ZINC000273264408 655136972 /nfs/dbraw/zinc/13/69/72/655136972.db2.gz COVNORZZRYZLMQ-SSDOTTSWSA-N 1 0 397.100 2.761 20 0 GFADRO C[C@@H]([NH2+][C@H](C)c1cnn(C)c1)C(=O)Nc1ccc(I)cc1 ZINC000273273758 655137392 /nfs/dbraw/zinc/13/73/92/655137392.db2.gz GXNAKLJPHGZDQS-GHMZBOCLSA-N 1 0 398.248 2.703 20 0 GFADRO C[N@@H+]1CCC[C@@H]1C(=O)NCC1(c2cccc(Br)c2)CCOCC1 ZINC000109089667 655141746 /nfs/dbraw/zinc/14/17/46/655141746.db2.gz QTRRMQGVOWXCHU-MRXNPFEDSA-N 1 0 381.314 2.708 20 0 GFADRO CS(=O)(=O)c1cccc(Cl)c1C[NH2+][C@@H]1CCO[C@]2(CCSC2)C1 ZINC000273505933 655145668 /nfs/dbraw/zinc/14/56/68/655145668.db2.gz WBTKVAMZWMNAMZ-MLGOLLRUSA-N 1 0 375.943 2.888 20 0 GFADRO CC[C@H](C)[N@H+](C)CCNS(=O)(=O)c1cc(Br)cnc1Cl ZINC000170886040 655146971 /nfs/dbraw/zinc/14/69/71/655146971.db2.gz ALFFASZTNPICTH-VIFPVBQESA-N 1 0 384.727 2.506 20 0 GFADRO CCS(=O)(=O)c1ccc(Cl)c(C(=O)NC2CC[NH+](CC(C)C)CC2)c1 ZINC000110066682 655155199 /nfs/dbraw/zinc/15/51/99/655155199.db2.gz YZQSASWWKOXGTG-UHFFFAOYSA-N 1 0 386.945 2.984 20 0 GFADRO Cn1nc(Br)c2c1ncnc2NC[C@@H](c1cccs1)[NH+](C)C ZINC000110844431 655160475 /nfs/dbraw/zinc/16/04/75/655160475.db2.gz HWVUSMKCYPXEOZ-VIFPVBQESA-N 1 0 381.303 2.902 20 0 GFADRO CC(C)[NH2+]C1CCN(C(=O)Nc2ccncc2I)CC1 ZINC000273847681 655160594 /nfs/dbraw/zinc/16/05/94/655160594.db2.gz MYKOOBKIHTVYFM-UHFFFAOYSA-N 1 0 388.253 2.681 20 0 GFADRO CS[C@H]1CN(C(=O)Nc2nnc(/C=C/c3ccco3)s2)C[C@@H]1[NH+](C)C ZINC000273855456 655161004 /nfs/dbraw/zinc/16/10/04/655161004.db2.gz NUWXTQYYIGWZIF-XKZLPGLHSA-N 1 0 379.511 2.811 20 0 GFADRO COc1c(Cl)cc(NC(=O)N2CCC([N@H+](C)CCO)CC2)cc1Cl ZINC000273902824 655163535 /nfs/dbraw/zinc/16/35/35/655163535.db2.gz BSIWBNHWTKVZSK-UHFFFAOYSA-N 1 0 376.284 2.922 20 0 GFADRO CS[C@@H]1CN(C[C@H](O)c2ccccc2Br)C[C@H]1[NH+]1CCCC1 ZINC000273920196 655164524 /nfs/dbraw/zinc/16/45/24/655164524.db2.gz BGBNTBSQHQGNGZ-IXDOHACOSA-N 1 0 385.371 2.994 20 0 GFADRO C[C@H]1C[C@H](N(C)S(=O)(=O)c2cc(Br)cnc2Cl)CC[N@@H+]1C ZINC000173272058 655166313 /nfs/dbraw/zinc/16/63/13/655166313.db2.gz JCWXIEUXRZYHFX-GXSJLCMTSA-N 1 0 396.738 2.601 20 0 GFADRO O=C(N[C@@H]1CC[N@H+](CC2CCCC2)C1)c1cc(I)c[nH]1 ZINC000173284622 655167329 /nfs/dbraw/zinc/16/73/29/655167329.db2.gz NWNVWOALBCLZSE-CYBMUJFWSA-N 1 0 387.265 2.614 20 0 GFADRO C[N@H+](CCn1cccn1)C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000111278972 655167693 /nfs/dbraw/zinc/16/76/93/655167693.db2.gz CXMZWEDRNCBJNP-CYBMUJFWSA-N 1 0 388.693 2.671 20 0 GFADRO Ic1ccccc1-c1nc([C@H]2C[N@@H+]3CCC[C@H]3CO2)no1 ZINC000274064338 655171515 /nfs/dbraw/zinc/17/15/15/655171515.db2.gz RTVJLICJKIMZPM-GXFFZTMASA-N 1 0 397.216 2.877 20 0 GFADRO COc1ccc([C@H](C)[NH2+][C@@H]2CCN(c3cnn(C)c3)C2=O)cc1Br ZINC000111371193 655171952 /nfs/dbraw/zinc/17/19/52/655171952.db2.gz AOCNEOOKBMVJFE-XHDPSFHLSA-N 1 0 393.285 2.647 20 0 GFADRO CS[C@@H]1CN([C@@H](C)C(=O)N2CCc3sccc3C2)C[C@H]1[NH+]1CCCC1 ZINC000274093371 655172764 /nfs/dbraw/zinc/17/27/64/655172764.db2.gz RYJQVKVEPMOELN-YXJHDRRASA-N 1 0 379.595 2.533 20 0 GFADRO CC[NH+]1CCN([C@H]2CCN(Cc3ccc(I)cc3)C2)CC1 ZINC000173709584 655177029 /nfs/dbraw/zinc/17/70/29/655177029.db2.gz PWCKILJQQFLGQV-KRWDZBQOSA-N 1 0 399.320 2.503 20 0 GFADRO CCN1CC[NH+](CCCCNC(=O)c2cc(Br)ccc2C)CC1 ZINC000173714548 655177352 /nfs/dbraw/zinc/17/73/52/655177352.db2.gz AXHPTMZNPXCHHU-UHFFFAOYSA-N 1 0 382.346 2.905 20 0 GFADRO Cc1cc(Br)ccc1CNC(=O)N[C@H](C)[C@@H](C)N1CCOCC1 ZINC000111858479 655178233 /nfs/dbraw/zinc/17/82/33/655178233.db2.gz QLKIATPQDWUXNG-ZIAGYGMSSA-N 1 0 384.318 2.666 20 0 GFADRO C[NH+](C)[C@@H]1CCCN(C(=O)N[C@H]2CCN(c3ccccc3Br)C2)C1 ZINC000111896773 655178819 /nfs/dbraw/zinc/17/88/19/655178819.db2.gz SLADOLCNMGDKFB-LSDHHAIUSA-N 1 0 395.345 2.763 20 0 GFADRO CC[C@H](CO)[NH+]1CCN(CC(=O)N[C@H](C)c2ccc(Cl)cc2Cl)CC1 ZINC000173748107 655179355 /nfs/dbraw/zinc/17/93/55/655179355.db2.gz LURPEDMHYGRDPD-UKRRQHHQSA-N 1 0 388.339 2.559 20 0 GFADRO CC[N@H+](CC1CC1)CN1C(=O)N[C@](C)(c2ccc(Br)s2)C1=O ZINC000112199986 655184366 /nfs/dbraw/zinc/18/43/66/655184366.db2.gz FHCFYEWPXDJVOI-OAHLLOKOSA-N 1 0 386.315 2.967 20 0 GFADRO C[C@H](Oc1ccccc1Br)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000112241384 655185584 /nfs/dbraw/zinc/18/55/84/655185584.db2.gz TVKHWWYQSFNNRO-LBPRGKRZSA-N 1 0 381.274 2.613 20 0 GFADRO CC[NH+](CC)C[C@@H]1CCN(S(=O)(=O)c2ccc(Br)c(F)c2)C1 ZINC000173925249 655186028 /nfs/dbraw/zinc/18/60/28/655186028.db2.gz HDHAYFQYLNURLH-LBPRGKRZSA-N 1 0 393.322 2.941 20 0 GFADRO COC(=O)CC[N@H+](CC(=O)Nc1c(Cl)cccc1Cl)C1CCOCC1 ZINC000173999023 655189120 /nfs/dbraw/zinc/18/91/20/655189120.db2.gz YNZOUIVCDYYNPA-UHFFFAOYSA-N 1 0 389.279 2.976 20 0 GFADRO CCCC[N@H+](C)CCNC(=O)NCC(=O)Nc1ccc(Br)cc1C ZINC000112432364 655191014 /nfs/dbraw/zinc/19/10/14/655191014.db2.gz VTKWRPVMWPMOCY-UHFFFAOYSA-N 1 0 399.333 2.727 20 0 GFADRO Cc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(C)cc1Br)CC2 ZINC000112549374 655193265 /nfs/dbraw/zinc/19/32/65/655193265.db2.gz VMJHUORMHCGJMN-AAEUAGOBSA-N 1 0 392.301 2.589 20 0 GFADRO COC(=O)c1cccc(C[N@H+](C)C[C@H](O)c2cccc(Br)c2)n1 ZINC000839643479 661098362 /nfs/dbraw/zinc/09/83/62/661098362.db2.gz TYIQLJGMSYSNQB-INIZCTEOSA-N 1 0 379.254 2.796 20 0 GFADRO C[C@@H]([NH2+]CC1(c2cccc(Br)c2)CCCCC1)C(=O)NC(N)=O ZINC000174281656 655196836 /nfs/dbraw/zinc/19/68/36/655196836.db2.gz LHIAISGZRFWDDX-GFCCVEGCSA-N 1 0 382.302 2.824 20 0 GFADRO C[C@H](CC[NH+]1CCN(C)CC1)Nc1ccnc2cc(Br)cnc21 ZINC000274689737 655197545 /nfs/dbraw/zinc/19/75/45/655197545.db2.gz ZTTLNERQNUENFA-CYBMUJFWSA-N 1 0 378.318 2.830 20 0 GFADRO O=C1CCCN1[C@H]1CCC[N@@H+](C[C@@H](O)c2ccc(Br)cc2)CC1 ZINC000839665447 661099080 /nfs/dbraw/zinc/09/90/80/661099080.db2.gz IAYWBTXXTPHCPB-DLBZAZTESA-N 1 0 381.314 2.959 20 0 GFADRO Cc1nn(C)c(Cl)c1C[NH2+]CCNC(=O)c1cccc(Br)c1 ZINC000113354429 655208219 /nfs/dbraw/zinc/20/82/19/655208219.db2.gz WZDFBTBRQXIQBO-UHFFFAOYSA-N 1 0 385.693 2.664 20 0 GFADRO COC(=O)CC1([NH2+]Cc2nc3ccc(Br)cc3n2C)CCOCC1 ZINC000274947293 655208483 /nfs/dbraw/zinc/20/84/83/655208483.db2.gz COQBRXGTXDIKQT-UHFFFAOYSA-N 1 0 396.285 2.538 20 0 GFADRO CC[NH+]1CCC(CNC(=O)c2csc(I)c2)CC1 ZINC000113426267 655210413 /nfs/dbraw/zinc/21/04/13/655210413.db2.gz XCFIYKLQQUHCBP-UHFFFAOYSA-N 1 0 378.279 2.814 20 0 GFADRO COc1nc(C)c(Br)cc1C(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000274995242 655210476 /nfs/dbraw/zinc/21/04/76/655210476.db2.gz MOYJTHXLWMTHDS-CQSZACIVSA-N 1 0 396.329 2.965 20 0 GFADRO C[NH+](C)C[C@@H]1CCN(C(=O)COc2ccc(Br)cc2Cl)C1 ZINC000113457226 655210959 /nfs/dbraw/zinc/21/09/59/655210959.db2.gz ZFWZRRMLTHLDDN-NSHDSACASA-N 1 0 375.694 2.891 20 0 GFADRO CS[C@@H]1CN(CCCS(=O)(=O)c2cccc(C)c2)C[C@@H]1[NH+]1CCCC1 ZINC000275038739 655213231 /nfs/dbraw/zinc/21/32/31/655213231.db2.gz GSEXVJBYPJIELB-RBUKOAKNSA-N 1 0 382.595 2.670 20 0 GFADRO CC[N@H+](CCNS(=O)(=O)c1cc(Br)c(C)cc1OC)C1CC1 ZINC000175260003 655216842 /nfs/dbraw/zinc/21/68/42/655216842.db2.gz XDFLTIAZNYXQMX-UHFFFAOYSA-N 1 0 391.331 2.529 20 0 GFADRO C[NH+](C)C1(CNC(=O)c2ccnc(SCC(F)(F)F)c2)CCOCC1 ZINC000113990911 655216879 /nfs/dbraw/zinc/21/68/79/655216879.db2.gz WRIZBTOYQKTEKP-UHFFFAOYSA-N 1 0 377.432 2.577 20 0 GFADRO COc1ccc(Br)c(S(=O)(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000175305787 655219409 /nfs/dbraw/zinc/21/94/09/655219409.db2.gz PMCDUOUHYQACBQ-VXGBXAGGSA-N 1 0 391.331 2.561 20 0 GFADRO COc1ccc(C[N@@H+]2CC[C@H](C(=O)NCC(F)(F)F)C2)c(Cl)c1OC ZINC000275150241 655219864 /nfs/dbraw/zinc/21/98/64/655219864.db2.gz SIJAOPGDBMKAMW-NSHDSACASA-N 1 0 380.794 2.858 20 0 GFADRO C[C@@H](C(=O)NCc1cccnc1N1CC[NH+](C)CC1)c1ccc(Cl)s1 ZINC000175845384 655228486 /nfs/dbraw/zinc/22/84/86/655228486.db2.gz ICMLRBFKVKXEKP-CYBMUJFWSA-N 1 0 378.929 2.968 20 0 GFADRO CC[NH+](CC)CCNC(=O)C(=O)Nc1cc(Br)c(F)cc1Cl ZINC000175989764 655231545 /nfs/dbraw/zinc/23/15/45/655231545.db2.gz IFXOOHNJUWKCBG-UHFFFAOYSA-N 1 0 394.672 2.638 20 0 GFADRO CSc1nnc(CNC(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)s1 ZINC000275422095 655235333 /nfs/dbraw/zinc/23/53/33/655235333.db2.gz HVQSCMWEPZGTKO-CQSZACIVSA-N 1 0 377.539 2.724 20 0 GFADRO O=C(NC[C@H](O)c1ccc(Cl)c(F)c1)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000839716471 661102179 /nfs/dbraw/zinc/10/21/79/661102179.db2.gz PFTMBCZAVBEJDB-PBHICJAKSA-N 1 0 386.920 2.846 20 0 GFADRO O=C(N[C@H]1CCc2cc(Br)ccc21)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000275762515 655249967 /nfs/dbraw/zinc/24/99/67/655249967.db2.gz XASGNANTGYGSCY-HOCLYGCPSA-N 1 0 389.297 2.987 20 0 GFADRO CCNC(=O)CN1CC[NH+](CC/C=C/c2ccc(Br)cc2)CC1 ZINC000117334833 655264461 /nfs/dbraw/zinc/26/44/61/655264461.db2.gz UBJQBZMLASDEKV-HWKANZROSA-N 1 0 380.330 2.606 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)c2cnn(-c3cccc(Br)c3)c2)C[N@@H+]1C1CC1 ZINC000177048988 655266243 /nfs/dbraw/zinc/26/62/43/655266243.db2.gz DHGQAXHTMFBSTQ-IUODEOHRSA-N 1 0 389.297 2.990 20 0 GFADRO COCCOCCOCC[N@H+](C)Cc1ccc(OC)c(Br)c1 ZINC000276248908 655268719 /nfs/dbraw/zinc/26/87/19/655268719.db2.gz MZBCVZHCXYAVGA-UHFFFAOYSA-N 1 0 376.291 2.569 20 0 GFADRO CCOC(=O)Cc1csc(NC(=O)C[NH2+][C@@H]2CCCC[C@@H]2SCC)n1 ZINC000276261630 655269314 /nfs/dbraw/zinc/26/93/14/655269314.db2.gz RFAWJIFQVQFSKL-KGLIPLIRSA-N 1 0 385.555 2.841 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000118132134 655272389 /nfs/dbraw/zinc/27/23/89/655272389.db2.gz WTBCKNUZAQAHFO-UHFFFAOYSA-N 1 0 382.302 2.687 20 0 GFADRO C[C@H]([NH2+]C1CCN(CCS(C)(=O)=O)CC1)c1ccc(Br)cc1 ZINC000177321492 655273753 /nfs/dbraw/zinc/27/37/53/655273753.db2.gz BSHRFJWJUNUXTE-ZDUSSCGKSA-N 1 0 389.359 2.609 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)N1CC[N@@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000177528136 655279721 /nfs/dbraw/zinc/27/97/21/655279721.db2.gz IMJLCFARNCMLCW-ZIAGYGMSSA-N 1 0 384.318 2.985 20 0 GFADRO CC1(C)CN(C(=O)c2ccc(I)c(Cl)c2)CC[NH2+]1 ZINC000177703809 655286725 /nfs/dbraw/zinc/28/67/25/655286725.db2.gz NNFFOPNEYGXGAD-UHFFFAOYSA-N 1 0 378.641 2.769 20 0 GFADRO CC[NH+](CC)CCNC(=O)c1cc(NC(=O)c2cnsn2)ccc1Cl ZINC000119087288 655289692 /nfs/dbraw/zinc/28/96/92/655289692.db2.gz IZRMSKCZROIQGQ-UHFFFAOYSA-N 1 0 381.889 2.515 20 0 GFADRO C[C@@H]1CC[C@@H]([NH2+]CC(=O)NCC(=O)Nc2ccccc2Br)[C@H](C)C1 ZINC000119173102 655291842 /nfs/dbraw/zinc/29/18/42/655291842.db2.gz KJGSQCKHVHELKJ-UMVBOHGHSA-N 1 0 396.329 2.918 20 0 GFADRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N[C@@H](CO)c1cccc(Br)c1 ZINC000177988994 655293883 /nfs/dbraw/zinc/29/38/83/655293883.db2.gz GGAYCRCIJBDFGR-CPUCHLNUSA-N 1 0 398.345 2.902 20 0 GFADRO C[NH+](C)[C@H]1CCCN(S(=O)(=O)c2cc(F)ccc2Br)CC1 ZINC000276990650 655297077 /nfs/dbraw/zinc/29/70/77/655297077.db2.gz INQFJZICIABHDJ-LBPRGKRZSA-N 1 0 379.295 2.693 20 0 GFADRO CC(C)n1cc([C@@H](C)[NH2+]CC2CCN(S(=O)(=O)C(F)(F)F)CC2)cn1 ZINC000178109706 655297950 /nfs/dbraw/zinc/29/79/50/655297950.db2.gz JNDKMEMMVKFASC-GFCCVEGCSA-N 1 0 382.452 2.676 20 0 GFADRO C[C@H](ON=C(N)C[N@@H+]1CCCC[C@H]1C)C(=O)Nc1ccccc1Br ZINC000178172915 655299416 /nfs/dbraw/zinc/29/94/16/655299416.db2.gz KMRSIHHUSOTBLP-OLZOCXBDSA-N 1 0 397.317 2.939 20 0 GFADRO C[C@@H]([NH2+]CC1CCN(S(C)(=O)=O)CC1)c1ccccc1OC(F)(F)F ZINC000178261869 655300735 /nfs/dbraw/zinc/30/07/35/655300735.db2.gz GFGSUOUCXZRGGU-GFCCVEGCSA-N 1 0 380.432 2.907 20 0 GFADRO C[C@H]([NH2+]CC1CCN(S(C)(=O)=O)CC1)c1cc(Br)ccc1F ZINC000178264234 655300944 /nfs/dbraw/zinc/30/09/44/655300944.db2.gz JHVGDFROAPMGEL-NSHDSACASA-N 1 0 393.322 2.910 20 0 GFADRO C[NH+](C)CCN(Cc1ccco1)S(=O)(=O)c1cccc(Br)c1 ZINC000119371953 655301249 /nfs/dbraw/zinc/30/12/49/655301249.db2.gz PAZMKTGPFNPSID-UHFFFAOYSA-N 1 0 387.299 2.795 20 0 GFADRO CC(=O)N1CCN(C(=O)[C@H](C)[NH2+][C@@H]2CCSc3ccc(Cl)cc32)CC1 ZINC000119401622 655302752 /nfs/dbraw/zinc/30/27/52/655302752.db2.gz NHEPTDLHABJVTP-BLLLJJGKSA-N 1 0 381.929 2.546 20 0 GFADRO [NH3+]C[C@@H]1CCN(C(=O)c2ccc(NC(=O)c3ccc(Br)o3)cc2)C1 ZINC000178528097 655304085 /nfs/dbraw/zinc/30/40/85/655304085.db2.gz TZOOWKLFXWQWLZ-NSHDSACASA-N 1 0 392.253 2.715 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000119451026 655304164 /nfs/dbraw/zinc/30/41/64/655304164.db2.gz MEFIBLYKSDOQRB-ZFWWWQNUSA-N 1 0 396.329 2.803 20 0 GFADRO O=C(c1cncc(I)c1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000119464549 655304720 /nfs/dbraw/zinc/30/47/20/655304720.db2.gz ZIXOPVIOOJXLIY-OAHLLOKOSA-N 1 0 399.276 2.777 20 0 GFADRO C[C@H]1C[C@H]([NH2+]CCC(=O)N2CCN(C)CC2)c2cccc(Br)c21 ZINC000178673364 655307797 /nfs/dbraw/zinc/30/77/97/655307797.db2.gz TUBQYBDUZMZGOX-BBRMVZONSA-N 1 0 380.330 2.751 20 0 GFADRO C[C@@H]1C[C@H]([NH2+]CCC(=O)N2CCN(C)CC2)c2cccc(Br)c21 ZINC000178673350 655307851 /nfs/dbraw/zinc/30/78/51/655307851.db2.gz TUBQYBDUZMZGOX-CJNGLKHVSA-N 1 0 380.330 2.751 20 0 GFADRO CSCC[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)NCC[C@@H](C)[NH3+] ZINC000178683965 655308459 /nfs/dbraw/zinc/30/84/59/655308459.db2.gz AWYZHIQLWLSQSI-YGRLFVJLSA-N 1 0 392.352 2.698 20 0 GFADRO C[NH+](C)[C@H]1CCCN(C(=O)c2ccc(S(=O)(=O)C(F)(F)F)cc2)CC1 ZINC000277260650 655310158 /nfs/dbraw/zinc/31/01/58/655310158.db2.gz LIYHKZKRPMSHAR-ZDUSSCGKSA-N 1 0 378.416 2.536 20 0 GFADRO [NH2+]=C(NCc1ccc(Br)cc1N1CCOCC1)NC1CCCC1 ZINC000178995564 655311142 /nfs/dbraw/zinc/31/11/42/655311142.db2.gz KDTHNZPJFPPDGT-UHFFFAOYSA-N 1 0 381.318 2.842 20 0 GFADRO CC[N@H+](C)[C@H](C(=O)N1CCn2c(Br)cnc2C1)c1ccccc1 ZINC000277337649 655313589 /nfs/dbraw/zinc/31/35/89/655313589.db2.gz FGAVYUSFVZNDDF-INIZCTEOSA-N 1 0 377.286 2.681 20 0 GFADRO C[C@H]([NH2+]C1CCN(S(=O)(=O)C(F)(F)F)CC1)c1nc2c(s1)CCCC2 ZINC000179447478 655313654 /nfs/dbraw/zinc/31/36/54/655313654.db2.gz QDSOKLUTOQFXCL-JTQLQIEISA-N 1 0 397.488 2.987 20 0 GFADRO CC(=O)N[C@@H](CC(=O)NCC(C)(C)C[NH+](C)C)c1ccc(Br)cc1 ZINC000119786194 655315207 /nfs/dbraw/zinc/31/52/07/655315207.db2.gz TXRPMRUZSCUZID-INIZCTEOSA-N 1 0 398.345 2.720 20 0 GFADRO C[C@H](CNS(=O)(=O)Cc1ccc(Br)cc1)C[NH+]1CCCCC1 ZINC000119809105 655316094 /nfs/dbraw/zinc/31/60/94/655316094.db2.gz WPVMYQMTTLXGOL-CQSZACIVSA-N 1 0 389.359 2.991 20 0 GFADRO Cc1c(Br)cc(C(=O)NC[C@H](c2cccs2)[NH+](C)C)c(=O)n1C ZINC000277401659 655316999 /nfs/dbraw/zinc/31/69/99/655316999.db2.gz JVZYNJFQTAHXJD-CYBMUJFWSA-N 1 0 398.326 2.550 20 0 GFADRO COC(=O)c1cc(NC(=O)NC2CC[NH+](C)CC2)cc(Br)c1F ZINC000277458359 655320360 /nfs/dbraw/zinc/32/03/60/655320360.db2.gz MIUWJNODVKFELX-UHFFFAOYSA-N 1 0 388.237 2.591 20 0 GFADRO Cc1cccc(I)c1C(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000119921036 655321604 /nfs/dbraw/zinc/32/16/04/655321604.db2.gz FVNUSMYAWFJSAM-QWHCGFSZSA-N 1 0 384.261 2.908 20 0 GFADRO C[C@@H]1C[N@H+](CCCNC(=O)Cc2ccc(Br)c(F)c2)CCCO1 ZINC000277525714 655324672 /nfs/dbraw/zinc/32/46/72/655324672.db2.gz LGXURISFVRSYFN-CYBMUJFWSA-N 1 0 387.293 2.748 20 0 GFADRO O=S(=O)(N1CCC([NH2+]Cc2ncc(C(F)(F)F)s2)CC1)C(F)(F)F ZINC000278602208 655325353 /nfs/dbraw/zinc/32/53/53/655325353.db2.gz HXQSNNRQBHUQLB-UHFFFAOYSA-N 1 0 397.366 2.566 20 0 GFADRO CCS(=O)(=O)c1ccc(Br)c(C(=O)NNc2cc(C)ccn2)c1 ZINC000180343130 655325734 /nfs/dbraw/zinc/32/57/34/655325734.db2.gz VRGZNPVJZZWZEQ-UHFFFAOYSA-N 1 0 398.282 2.703 20 0 GFADRO O=C(NCCc1ccc(OCC[NH+]2CCCC2)cc1)[C@@H]1CSCCS1 ZINC000180394497 655326424 /nfs/dbraw/zinc/32/64/24/655326424.db2.gz RLFNRANHJINEQD-SFHVURJKSA-N 1 0 380.579 2.669 20 0 GFADRO CSC[C@H](O)C[NH2+][C@H](CO)c1ccc(Br)cc1C(F)(F)F ZINC000280745778 655330144 /nfs/dbraw/zinc/33/01/44/655330144.db2.gz MXCOMAQERWZDEN-BXKDBHETSA-N 1 0 388.249 2.815 20 0 GFADRO CC[N@H+](CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1)[C@@H](C)C(C)C ZINC000120250101 655332713 /nfs/dbraw/zinc/33/27/13/655332713.db2.gz CZGMPXFSHRCABN-ZDUSSCGKSA-N 1 0 389.949 2.895 20 0 GFADRO Cc1nc(Br)ccc1NC(=O)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000181297309 655334652 /nfs/dbraw/zinc/33/46/52/655334652.db2.gz OVHFUIYHWHVXPL-UHFFFAOYSA-N 1 0 397.317 2.516 20 0 GFADRO C[C@@H]1C[C@H](N(C)S(=O)(=O)c2cccc(Br)c2F)CC[N@@H+]1C ZINC000281783137 655337002 /nfs/dbraw/zinc/33/70/02/655337002.db2.gz GSSRRSNDJBWWNV-GHMZBOCLSA-N 1 0 379.295 2.691 20 0 GFADRO C[C@H]([NH2+]C[C@@]1(C)CCCS1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000120497754 655337407 /nfs/dbraw/zinc/33/74/07/655337407.db2.gz SUOXNVHWOBMPJD-MAUKXSAKSA-N 1 0 384.567 2.644 20 0 GFADRO C[NH+](C)[C@@H]1CCCN(CN2CC[C@@H](c3cccc(Br)c3)C2=O)C1 ZINC000840004173 661123386 /nfs/dbraw/zinc/12/33/86/661123386.db2.gz QGCAGZSKQAFTOD-SJORKVTESA-N 1 0 380.330 2.749 20 0 GFADRO O=C1[C@H](c2cccc(Br)c2)CCN1CN1CC[C@H]([NH+]2CC=CC2)C1 ZINC000840012079 661124535 /nfs/dbraw/zinc/12/45/35/661124535.db2.gz RGKKLPDFJMPBSH-ROUUACIJSA-N 1 0 390.325 2.669 20 0 GFADRO O[C@@H](C[NH2+][C@@H](c1cncc(Br)c1)C1CC1)COCC(F)(F)F ZINC000292847699 655355272 /nfs/dbraw/zinc/35/52/72/655355272.db2.gz FRSJGLJTKSPZIC-QWHCGFSZSA-N 1 0 383.208 2.825 20 0 GFADRO CS(=O)(=O)c1cccc(Br)c1N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000293010935 655358409 /nfs/dbraw/zinc/35/84/09/655358409.db2.gz IGVDQSKUCKDPIO-CYBMUJFWSA-N 1 0 387.343 2.775 20 0 GFADRO OCCOC1(C[NH2+][C@H]2CCc3sc(Br)cc32)CCOCC1 ZINC000294043234 655364408 /nfs/dbraw/zinc/36/44/08/655364408.db2.gz GFMFSCCJUPGETI-LBPRGKRZSA-N 1 0 376.316 2.646 20 0 GFADRO CC[C@H](COCC(F)(F)F)[NH2+][C@@H](C)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000297442540 655370695 /nfs/dbraw/zinc/37/06/95/655370695.db2.gz WHJINXNAQWWOGW-GXTWGEPZSA-N 1 0 382.448 2.945 20 0 GFADRO Cc1cc(C2CCN(CN3CC(=O)N(C)C3=O)CC2)ccc1Br ZINC000187032114 655372436 /nfs/dbraw/zinc/37/24/36/655372436.db2.gz HACAERTUNSHFOK-UHFFFAOYSA-N 1 0 380.286 2.788 20 0 GFADRO CC(C)[NH2+]C1CCN(C(=O)C(=O)N(C)Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000298602640 655373328 /nfs/dbraw/zinc/37/33/28/655373328.db2.gz QNGRNRZLYKIOCF-UHFFFAOYSA-N 1 0 386.323 2.941 20 0 GFADRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)C(=O)Nc1cc(Cl)c(N)c(Cl)c1 ZINC000299090118 655374425 /nfs/dbraw/zinc/37/44/25/655374425.db2.gz UMADMNUZZJMOPX-CMPLNLGQSA-N 1 0 385.295 2.599 20 0 GFADRO Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)[NH2+]CC1CN(S(C)(=O)=O)C1 ZINC000187829257 655376646 /nfs/dbraw/zinc/37/66/46/655376646.db2.gz UKGYZGUIVPYNJA-ZDUSSCGKSA-N 1 0 379.551 2.969 20 0 GFADRO CCOC(=O)N1CCC([NH2+]C[C@@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000327133704 655385622 /nfs/dbraw/zinc/38/56/22/655385622.db2.gz RANPRZOOTTVWQV-CYBMUJFWSA-N 1 0 391.295 2.944 20 0 GFADRO O=C1N[C@H](c2ccc(Br)cc2)C(=O)N1C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000349228408 655388690 /nfs/dbraw/zinc/38/86/90/655388690.db2.gz WTJJTNZEBGZKQC-XHDPSFHLSA-N 1 0 378.270 2.526 20 0 GFADRO CC[NH+]1CCC(N2C(=O)[C@@H](c3cccc(Br)c3)N(C)C2=O)CC1 ZINC000349294604 655388930 /nfs/dbraw/zinc/38/89/30/655388930.db2.gz UBDXRUCQWJIZSD-OAHLLOKOSA-N 1 0 380.286 2.869 20 0 GFADRO COCCN(Cc1sccc1Br)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000418322924 655405478 /nfs/dbraw/zinc/40/54/78/655405478.db2.gz TYYPQOTUBFCFFZ-GFCCVEGCSA-N 1 0 390.347 2.668 20 0 GFADRO C[NH+](C)CCCNC(=O)C[C@](O)(c1nc2ccccc2s1)C(F)(F)F ZINC000192495936 655405676 /nfs/dbraw/zinc/40/56/76/655405676.db2.gz IPHQLEMVIKSZHJ-HNNXBMFYSA-N 1 0 375.416 2.504 20 0 GFADRO O=c1oc2cc(Br)ccc2n1C[N@H+]1CCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000840117836 661135104 /nfs/dbraw/zinc/13/51/04/661135104.db2.gz CGRLXVAHDQPFOF-GZBFAFLISA-N 1 0 381.270 2.940 20 0 GFADRO O=S(=O)(c1ccc(Cl)cc1Br)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000420478059 655407554 /nfs/dbraw/zinc/40/75/54/655407554.db2.gz VUUQEWNJXVOOIV-CYBMUJFWSA-N 1 0 379.707 2.619 20 0 GFADRO O=C(c1cc(Cl)ccc1I)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000424028771 655407900 /nfs/dbraw/zinc/40/79/00/655407900.db2.gz OKWFNMSBITUSFI-CQSZACIVSA-N 1 0 390.652 2.913 20 0 GFADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)c1c[nH]c(=S)[nH]1 ZINC000193115733 655408454 /nfs/dbraw/zinc/40/84/54/655408454.db2.gz ACDMIYONQHNCKO-UHFFFAOYSA-N 1 0 383.315 2.665 20 0 GFADRO CCCN(C1CC[NH2+]CC1)S(=O)(=O)c1ccc(Br)cc1C ZINC000193306074 655409225 /nfs/dbraw/zinc/40/92/25/655409225.db2.gz UYAQAADQMCTADZ-UHFFFAOYSA-N 1 0 375.332 2.910 20 0 GFADRO Cc1cc(Br)c(C[N@@H+]2CCC[C@](O)(C(=O)N3CCCC3)C2)s1 ZINC000453606536 655411943 /nfs/dbraw/zinc/41/19/43/655411943.db2.gz YNPYFVSUOURGSJ-MRXNPFEDSA-N 1 0 387.343 2.768 20 0 GFADRO O=S(=O)(NCC[NH2+]Cc1cccc2c[nH]nc21)c1cccc(Cl)c1Cl ZINC000512909276 655418311 /nfs/dbraw/zinc/41/83/11/655418311.db2.gz VZUIDYXJENHWCS-UHFFFAOYSA-N 1 0 399.303 2.938 20 0 GFADRO COCCN(CC[NH2+]Cc1cncc(Br)c1)C(=O)OC(C)(C)C ZINC000231775258 655423695 /nfs/dbraw/zinc/42/36/95/655423695.db2.gz DBFYUSNJZRUNRL-UHFFFAOYSA-N 1 0 388.306 2.817 20 0 GFADRO CN(C(=O)c1cc(Cl)ccc1I)[C@@H](C[NH3+])C1CC1 ZINC000234295339 655424241 /nfs/dbraw/zinc/42/42/41/655424241.db2.gz BKMARXBQDWZOSS-LBPRGKRZSA-N 1 0 378.641 2.754 20 0 GFADRO CC(C)C[C@@](C)(C[NH3+])NC(=O)[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000236691306 655424731 /nfs/dbraw/zinc/42/47/31/655424731.db2.gz MJOAEHGTKADVSR-QAPCUYQASA-N 1 0 396.329 2.682 20 0 GFADRO CN(C1CCC([NH3+])CC1)S(=O)(=O)c1ccc(Br)c(Cl)c1 ZINC000237027055 655425392 /nfs/dbraw/zinc/42/53/92/655425392.db2.gz ABFWKXUFJOLBIY-UHFFFAOYSA-N 1 0 381.723 2.993 20 0 GFADRO COC[C@H](C)OC[C@H](O)C[NH2+]CC1(c2ccccc2Br)CCC1 ZINC000574151620 655425562 /nfs/dbraw/zinc/42/55/62/655425562.db2.gz PMCVPSSTBGJSKZ-LSDHHAIUSA-N 1 0 386.330 2.873 20 0 GFADRO CN(C(=O)c1cc(=O)[nH]c2c(Br)cccc12)C1CCC([NH3+])CC1 ZINC000237233903 655425969 /nfs/dbraw/zinc/42/59/69/655425969.db2.gz GATPKKFWUQZIKY-UHFFFAOYSA-N 1 0 378.270 2.633 20 0 GFADRO C[C@@H](NC(=O)[C@@H]1CCC[C@@H]([NH3+])C1)c1cc2c(cc1Br)OCCO2 ZINC000237352146 655426076 /nfs/dbraw/zinc/42/60/76/655426076.db2.gz OZFYXLCZKAZKKS-IJLUTSLNSA-N 1 0 383.286 2.915 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)CN1C(=S)N=NC1c1ccc(Cl)cc1 ZINC000237543522 655426413 /nfs/dbraw/zinc/42/64/13/655426413.db2.gz IBKJKCUPZGQROZ-SMDDNHRTSA-N 1 0 379.917 2.616 20 0 GFADRO O=C(C[NH2+]C[C@@H]1CCCO1)NNc1c(Cl)cc(Br)cc1Cl ZINC000237801868 655426561 /nfs/dbraw/zinc/42/65/61/655426561.db2.gz VZURVGIRSKYRAX-VIFPVBQESA-N 1 0 397.100 2.968 20 0 GFADRO [NH3+]Cc1cn([C@@H]2CCCN(Cc3cn4cc(Cl)cc(Cl)c4n3)C2)nn1 ZINC000574280312 655428031 /nfs/dbraw/zinc/42/80/31/655428031.db2.gz DJABRAWGQVSXNI-CQSZACIVSA-N 1 0 380.283 2.528 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)C(=O)N(C)Cc2c(Cl)cccc2Cl)C[N@@H+]1C1CC1 ZINC000574318239 655428951 /nfs/dbraw/zinc/42/89/51/655428951.db2.gz YHCAPYXZORYQSY-VXGBXAGGSA-N 1 0 384.307 2.693 20 0 GFADRO CCOC(=O)N[C@H]1CCC[N@H+](C[C@@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000248769964 655433149 /nfs/dbraw/zinc/43/31/49/655433149.db2.gz QORCTUDGAIZKRB-QWHCGFSZSA-N 1 0 391.295 2.944 20 0 GFADRO CC1(C)CN(C(=O)NCCNc2ncc(C(F)(F)F)cc2Cl)CC[NH2+]1 ZINC000574906131 655433377 /nfs/dbraw/zinc/43/33/77/655433377.db2.gz WIPRSMULZUUIOH-UHFFFAOYSA-N 1 0 379.814 2.559 20 0 GFADRO C[C@H](C[C@@H]1COCCN1)[NH2+][C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O ZINC000575172925 655436702 /nfs/dbraw/zinc/43/67/02/655436702.db2.gz XLANGJDGKOINJT-XNRPHZJLSA-N 1 0 386.323 2.845 20 0 GFADRO CCC1CC([NH2+]CCNS(=O)(=O)c2cc(C)ccc2Br)C1 ZINC000575889849 655439425 /nfs/dbraw/zinc/43/94/25/655439425.db2.gz SIDWKEQKGGJSQG-UHFFFAOYSA-N 1 0 375.332 2.814 20 0 GFADRO C[C@@H]([NH3+])CC(=O)N1CCC[C@H]1c1nc(Cc2ccc(Br)cc2)no1 ZINC000261674803 655441756 /nfs/dbraw/zinc/44/17/56/655441756.db2.gz AXBZSLQLKAKJDW-RISCZKNCSA-N 1 0 393.285 2.824 20 0 GFADRO CC(=O)NCc1ccc(C(=O)N2CC[NH2+]C[C@H]2c2cccc(Cl)c2)s1 ZINC000261711317 655441924 /nfs/dbraw/zinc/44/19/24/655441924.db2.gz BWGBTCPDAAAXMR-INIZCTEOSA-N 1 0 377.897 2.824 20 0 GFADRO O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)N(Cc1ccc(Cl)c(Cl)c1)C1CC1 ZINC000576035033 655442265 /nfs/dbraw/zinc/44/22/65/655442265.db2.gz BBSLYLUSIZDPOZ-INIZCTEOSA-N 1 0 384.307 2.743 20 0 GFADRO Cc1cccc(S(=O)(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)c1Br ZINC000261914176 655443019 /nfs/dbraw/zinc/44/30/19/655443019.db2.gz YNBOZUVCUOLKGG-LSDHHAIUSA-N 1 0 395.322 2.873 20 0 GFADRO CC[NH+](CC)CCS(=O)(=O)N(C)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000576742999 655452061 /nfs/dbraw/zinc/45/20/61/655452061.db2.gz CNOBBSRNJNFNFJ-CVEARBPZSA-N 1 0 395.352 2.555 20 0 GFADRO O=C(CC[NH2+]CCC(=O)N1CCCCC1)Nc1cccc(Br)c1 ZINC000576740301 655452110 /nfs/dbraw/zinc/45/21/10/655452110.db2.gz WSCUIWJLXGEQMT-UHFFFAOYSA-N 1 0 382.302 2.770 20 0 GFADRO COc1cc(C[NH2+][C@@H]2CCC[C@@H]3CN(C(C)=O)C[C@@H]32)cc(Br)c1O ZINC000576853484 655453062 /nfs/dbraw/zinc/45/30/62/655453062.db2.gz DSSHSGNWIJPFPW-IJEWVQPXSA-N 1 0 397.313 2.900 20 0 GFADRO O=C(N[C@H]1CCSc2ccc(Cl)cc21)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000576862201 655453333 /nfs/dbraw/zinc/45/33/33/655453333.db2.gz QRJJMYPTNDHRPU-JSGCOSHPSA-N 1 0 377.901 2.823 20 0 GFADRO O=C(N[C@H]1CCSc2ccc(Cl)cc21)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000576862203 655453385 /nfs/dbraw/zinc/45/33/85/655453385.db2.gz QRJJMYPTNDHRPU-OCCSQVGLSA-N 1 0 377.901 2.823 20 0 GFADRO CS(=O)(=O)N1CC[C@@H]([NH2+][C@H]2CCCc3nc(-c4ccccc4)sc32)C1 ZINC000576950210 655455069 /nfs/dbraw/zinc/45/50/69/655455069.db2.gz WWUUSOKXKUCZJF-CABCVRRESA-N 1 0 377.535 2.811 20 0 GFADRO CN(C)S(=O)(=O)N1CCCC[C@@H]1C[NH2+][C@@H]1CCSc2ccc(F)cc21 ZINC000577437645 655459440 /nfs/dbraw/zinc/45/94/40/655459440.db2.gz AMCCBUBHCXHINB-GDBMZVCRSA-N 1 0 387.546 2.613 20 0 GFADRO CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000577486493 655460873 /nfs/dbraw/zinc/46/08/73/655460873.db2.gz ZIQKYGCUHSBREX-GUSZCTEKSA-N 1 0 396.329 2.776 20 0 GFADRO [NH3+][C@H]1CCCC[C@@H]1CC(=O)NCCCNC(=O)c1cccc(Br)c1 ZINC000577746093 655466277 /nfs/dbraw/zinc/46/62/77/655466277.db2.gz FQKUUOBHVICFOE-CJNGLKHVSA-N 1 0 396.329 2.593 20 0 GFADRO C[N@@H+]1CCCC[C@H]1CCOC(=O)c1ccc(CS(=O)(=O)C(F)F)cc1 ZINC000840289234 661151793 /nfs/dbraw/zinc/15/17/93/661151793.db2.gz JMCXSMIWDSOUGE-HNNXBMFYSA-N 1 0 375.437 2.855 20 0 GFADRO Cc1ccc(-c2nc(NC(=O)C(=O)NC[C@H]3CCC[N@H+]3C)sc2C)s1 ZINC000577855877 655468494 /nfs/dbraw/zinc/46/84/94/655468494.db2.gz CWEGRZVELOPAJX-GFCCVEGCSA-N 1 0 378.523 2.637 20 0 GFADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)/C=C/c1ccc(Cl)c(C(F)(F)F)c1 ZINC000264724202 655469093 /nfs/dbraw/zinc/46/90/93/655469093.db2.gz HYZHGUSWXFKQPI-BPJJOFIESA-N 1 0 375.822 2.734 20 0 GFADRO Cc1nnc(CCNC(=O)NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)s1 ZINC000577925910 655469404 /nfs/dbraw/zinc/46/94/04/655469404.db2.gz LRYOIGYEIVWYBE-CJNGLKHVSA-N 1 0 379.555 2.833 20 0 GFADRO CN(CCCN1CC[NH+](C)CC1)C(=O)c1cc2cc(Br)ccc2o1 ZINC000264801968 655470795 /nfs/dbraw/zinc/47/07/95/655470795.db2.gz VPLVWZLOFWERJZ-UHFFFAOYSA-N 1 0 394.313 2.905 20 0 GFADRO CSc1ccccc1NC(=O)CC[N@H+](CCO)CCOCC(F)(F)F ZINC000264930478 655474164 /nfs/dbraw/zinc/47/41/64/655474164.db2.gz PSACVFRGDJQYDX-UHFFFAOYSA-N 1 0 380.432 2.610 20 0 GFADRO C[C@@H](NC(=O)N1CC[N@@H+]([C@H]2C[C@H]2C)C[C@H](C)C1)c1ncc(Br)cn1 ZINC000578320582 655476562 /nfs/dbraw/zinc/47/65/62/655476562.db2.gz HDBVKNGIVQDNTC-JLNYLFASSA-N 1 0 396.333 2.672 20 0 GFADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)N(Cc1cccs1)Cc1cccs1 ZINC000265067512 655476705 /nfs/dbraw/zinc/47/67/05/655476705.db2.gz NCEMRHHKXUHSFR-HNNXBMFYSA-N 1 0 378.567 2.767 20 0 GFADRO OC[C@@H](C[NH2+]C[C@@H](O)Cc1ccccc1)Cc1cccc(Br)c1 ZINC000578358888 655477100 /nfs/dbraw/zinc/47/71/00/655477100.db2.gz MHEWOWLPSHRRAH-MJGOQNOKSA-N 1 0 378.310 2.793 20 0 GFADRO CC[NH+](CC)CCS(=O)(=O)N[C@H]1CCC[C@H]1Oc1cc(F)cc(F)c1 ZINC000578404428 655477997 /nfs/dbraw/zinc/47/79/97/655477997.db2.gz UYFFFNPRCOBIQQ-DLBZAZTESA-N 1 0 376.469 2.526 20 0 GFADRO Cc1ncc(Br)cc1NC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000578434557 655478833 /nfs/dbraw/zinc/47/88/33/655478833.db2.gz DTBLRUUHIXGYRY-ZDUSSCGKSA-N 1 0 397.317 2.775 20 0 GFADRO COc1cc(C[NH2+]C2(CO)CCOCC2)cc(Br)c1OC(F)F ZINC000265291429 655480563 /nfs/dbraw/zinc/48/05/63/655480563.db2.gz ZULMESFYZIABNB-UHFFFAOYSA-N 1 0 396.228 2.690 20 0 GFADRO CC1=CC[N@H+](CCNC(=O)Nc2cnc3c(Br)cccn23)CC1 ZINC000578525391 655481080 /nfs/dbraw/zinc/48/10/80/655481080.db2.gz RDXPSLXPKVRETH-UHFFFAOYSA-N 1 0 378.274 2.870 20 0 GFADRO CC[NH+]1CCC(CNS(=O)(=O)Cc2cccc(Br)c2)CC1 ZINC000578536827 655481421 /nfs/dbraw/zinc/48/14/21/655481421.db2.gz GXXORDFSHIDORH-UHFFFAOYSA-N 1 0 375.332 2.600 20 0 GFADRO CSC1(CNC(=O)c2csc(-c3ncccc3F)n2)CC[NH+](C)CC1 ZINC000578568272 655481847 /nfs/dbraw/zinc/48/18/47/655481847.db2.gz SHVNOIHFUDMEAY-UHFFFAOYSA-N 1 0 380.514 2.901 20 0 GFADRO C[C@H](CNC(=O)C(=O)Nc1cccc(Cl)c1SCC(F)F)[NH+](C)C ZINC000265482937 655484154 /nfs/dbraw/zinc/48/41/54/655484154.db2.gz AQELNYWXUAWPNM-SECBINFHSA-N 1 0 379.860 2.702 20 0 GFADRO O[C@H](CC[NH2+]Cc1c(F)ccc(I)c1F)C(F)(F)F ZINC000578699505 655484860 /nfs/dbraw/zinc/48/48/60/655484860.db2.gz MCVZKYCHRAIIRG-SECBINFHSA-N 1 0 395.109 2.972 20 0 GFADRO CC[NH+](CC)CC[C@H](CO)NC(=O)c1c(F)ccc(C)c1Br ZINC000578792235 655487205 /nfs/dbraw/zinc/48/72/05/655487205.db2.gz PDKXNUJFRSWSOL-GFCCVEGCSA-N 1 0 375.282 2.719 20 0 GFADRO CSC[C@@](C)(O)CNC(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000265673974 655488621 /nfs/dbraw/zinc/48/86/21/655488621.db2.gz BMKRCMXIWFHBOX-SFHVURJKSA-N 1 0 383.583 2.513 20 0 GFADRO Cc1cc(C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)cc(Cl)c1Br ZINC000579003786 655491476 /nfs/dbraw/zinc/49/14/76/655491476.db2.gz QZGYCTFSVZXDQG-CYBMUJFWSA-N 1 0 386.721 2.531 20 0 GFADRO [NH3+]CCC1CCN(C(=O)N[C@H]2CCN(c3ccccc3Br)C2)CC1 ZINC000579016352 655491758 /nfs/dbraw/zinc/49/17/58/655491758.db2.gz MXWALPAXYHOLRV-HNNXBMFYSA-N 1 0 395.345 2.798 20 0 GFADRO COC[C@@]1(CNC(=O)N2CCSC[C@H]2c2ccc(Cl)cc2)CCC[NH2+]1 ZINC000579091018 655493711 /nfs/dbraw/zinc/49/37/11/655493711.db2.gz DIDSWRKMARTAPN-WMZOPIPTSA-N 1 0 383.945 2.908 20 0 GFADRO CS[C@H](CO)[C@H](C)NC(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000265961209 655494158 /nfs/dbraw/zinc/49/41/58/655494158.db2.gz RGOKJZUMMGTWRJ-WMLDXEAASA-N 1 0 383.583 2.512 20 0 GFADRO O=C(CCC[S@@](=O)c1ccc(Br)cc1)NCCC[NH2+]C1CC1 ZINC000579123145 655494461 /nfs/dbraw/zinc/49/44/61/655494461.db2.gz HEMGPQHACAUUIA-JOCHJYFZSA-N 1 0 387.343 2.595 20 0 GFADRO COc1c(Br)cccc1C[N@H+](C)C[C@H](O)COCCOC(C)C ZINC000266019440 655495176 /nfs/dbraw/zinc/49/51/76/655495176.db2.gz OJWVEAIEZFRZKR-HNNXBMFYSA-N 1 0 390.318 2.692 20 0 GFADRO COCCC1(C[NH2+]C[C@@H](O)COc2cc(F)cc(Br)c2)CC1 ZINC000579228670 655496102 /nfs/dbraw/zinc/49/61/02/655496102.db2.gz XDTCMCHMNWUBPE-CQSZACIVSA-N 1 0 376.266 2.734 20 0 GFADRO O=C(NCc1cc(Br)ccc1Br)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000579235350 655496208 /nfs/dbraw/zinc/49/62/08/655496208.db2.gz HFUCIAKOEOVFKD-BXUZGUMPSA-N 1 0 388.103 2.827 20 0 GFADRO O=C(NCc1n[nH]cc1Br)c1ccccc1CC1CC[NH2+]CC1 ZINC000579355364 655498270 /nfs/dbraw/zinc/49/82/70/655498270.db2.gz HHLJWIWOWWLPFA-UHFFFAOYSA-N 1 0 377.286 2.644 20 0 GFADRO COC(=O)c1ccc(CN2CCC(CO)([NH2+]C(C)C)CC2)c(Br)c1 ZINC000579489130 655500316 /nfs/dbraw/zinc/50/03/16/655500316.db2.gz JEKQNFATVIZONU-UHFFFAOYSA-N 1 0 399.329 2.561 20 0 GFADRO CC(C)(C)C[C@H](O)C[NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000579833476 655504522 /nfs/dbraw/zinc/50/45/22/655504522.db2.gz CKSVTELWBPHZFK-UONOGXRCSA-N 1 0 378.282 2.715 20 0 GFADRO [NH3+][C@H]1CCC[C@H](CNS(=O)(=O)c2ccc(Cl)c(Br)c2)C1 ZINC000579832448 655504564 /nfs/dbraw/zinc/50/45/64/655504564.db2.gz DCCLWLXWWLIWPV-UWVGGRQHSA-N 1 0 381.723 2.898 20 0 GFADRO O[C@H](C[NH2+]Cc1ccc2c(c1)OCCO2)COc1ccc(Br)cc1 ZINC000579865318 655505238 /nfs/dbraw/zinc/50/52/38/655505238.db2.gz TYWSNGAWPFDSQX-OAHLLOKOSA-N 1 0 394.265 2.750 20 0 GFADRO [NH3+]CC[C@@H]1CCCCN1C(=O)c1ccc(-n2cc(Br)cn2)cc1 ZINC000580063864 655507610 /nfs/dbraw/zinc/50/76/10/655507610.db2.gz XYVJXZBDUCGRBN-HNNXBMFYSA-N 1 0 377.286 2.978 20 0 GFADRO C[C@H](Cc1c(Cl)cccc1Cl)NC(=O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000580183321 655509484 /nfs/dbraw/zinc/50/94/84/655509484.db2.gz FYTVWFZVYLVULK-NEPJUHHUSA-N 1 0 382.295 2.870 20 0 GFADRO CCC[NH+]1CCC(NC(=O)N(C)C[C@H](O)c2cccc(Br)c2)CC1 ZINC000840310546 661153509 /nfs/dbraw/zinc/15/35/09/661153509.db2.gz SQZWXGDSEOLQII-KRWDZBQOSA-N 1 0 398.345 2.998 20 0 GFADRO O=C(c1scc(Br)c1Br)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000705442119 655522068 /nfs/dbraw/zinc/52/20/68/655522068.db2.gz LNOFERDHGJPLHG-SVRRBLITSA-N 1 0 380.105 2.707 20 0 GFADRO CC(C)(C)OC(=O)N[C@H]1C[C@@H](C[NH2+]CCCn2cc(Br)cn2)C1 ZINC000711406290 655522480 /nfs/dbraw/zinc/52/24/80/655522480.db2.gz ROIBFLMSHNPNPN-XBXGTLAGSA-N 1 0 387.322 2.929 20 0 GFADRO Cn1cc(C[NH2+][C@@H]2CCC[C@@H]2CNC(=O)OC(C)(C)C)c(Br)n1 ZINC000712464186 655522651 /nfs/dbraw/zinc/52/26/51/655522651.db2.gz WDLMIVUGBWIZSL-DGCLKSJQSA-N 1 0 387.322 2.966 20 0 GFADRO Cn1cc(C[NH2+]CC23CC(C2)CN3C(=O)OC(C)(C)C)c(Br)n1 ZINC000712475533 655522712 /nfs/dbraw/zinc/52/27/12/655522712.db2.gz NJRSRFNKTPGLNC-UHFFFAOYSA-N 1 0 385.306 2.672 20 0 GFADRO CCC1([NH3+])CCN(S(=O)(=O)c2c(Cl)cccc2Br)CC1 ZINC000714327448 655522844 /nfs/dbraw/zinc/52/28/44/655522844.db2.gz XHWGOCOEWZIXRW-UHFFFAOYSA-N 1 0 381.723 2.995 20 0 GFADRO C[C@H]1[C@H](NC(=O)c2cc(Cl)ccc2I)CC[N@@H+]1C ZINC000719383995 655524406 /nfs/dbraw/zinc/52/44/06/655524406.db2.gz AQUOSCUJQRNFND-QPUJVOFHSA-N 1 0 378.641 2.767 20 0 GFADRO C[C@H]([NH2+]CC[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O)c1cccs1 ZINC000721751562 655525155 /nfs/dbraw/zinc/52/51/55/655525155.db2.gz HGKZKXIRGOZNRS-UONOGXRCSA-N 1 0 388.555 2.823 20 0 GFADRO C[C@H](C[C@@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]CC(C)(C)CS(C)(=O)=O ZINC000723848073 655525594 /nfs/dbraw/zinc/52/55/94/655525594.db2.gz QLTJWURLVWVRPZ-CABCVRRESA-N 1 0 376.563 2.825 20 0 GFADRO C[NH+](C)[C@H](CNS(=O)(=O)c1ccc(Cl)nc1Cl)Cc1ccccc1 ZINC000725818620 655526711 /nfs/dbraw/zinc/52/67/11/655526711.db2.gz RYXHMRCHBQHRJX-ZDUSSCGKSA-N 1 0 388.320 2.840 20 0 GFADRO C[N@@H+]1CCC[C@H](NC(=O)N2CCO[C@H](c3ccccc3Br)C2)C1 ZINC000726235660 655532388 /nfs/dbraw/zinc/53/23/88/655532388.db2.gz HWRMQYDXFJFVON-BBRMVZONSA-N 1 0 382.302 2.626 20 0 GFADRO C[N@@H+]1CCC[C@@H](NC(=O)N2CCO[C@H](c3ccccc3Br)C2)C1 ZINC000726235661 655532493 /nfs/dbraw/zinc/53/24/93/655532493.db2.gz HWRMQYDXFJFVON-CJNGLKHVSA-N 1 0 382.302 2.626 20 0 GFADRO COc1ccc(NC(=S)NC[C@H](C(C)C)[NH+]2CCN(C)CC2)cc1Cl ZINC000726899871 655539714 /nfs/dbraw/zinc/53/97/14/655539714.db2.gz UDWAWXXMUDYJCH-MRXNPFEDSA-N 1 0 384.977 2.907 20 0 GFADRO CCC[NH+]1CCC(NC(=O)C[C@@](O)(c2nc(C)cs2)C(F)(F)F)CC1 ZINC000726932194 655539970 /nfs/dbraw/zinc/53/99/70/655539970.db2.gz HVEOIACRLUCAKO-OAHLLOKOSA-N 1 0 379.448 2.582 20 0 GFADRO O=S(=O)(/C=C\c1ccccc1Cl)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000727456652 655545938 /nfs/dbraw/zinc/54/59/38/655545938.db2.gz BDRSVTVWOJJFQX-QHIITQONSA-N 1 0 384.929 2.827 20 0 GFADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1c[nH]c2ccc(Br)cc12 ZINC000728210517 655553902 /nfs/dbraw/zinc/55/39/02/655553902.db2.gz ICIVVVIHRQRQCK-CHWSQXEVSA-N 1 0 378.270 2.523 20 0 GFADRO C[NH+](C)C[C@H](Cc1ccccc1)NS(=O)(=O)c1c(Cl)nc2sccn21 ZINC000728584264 655557221 /nfs/dbraw/zinc/55/72/21/655557221.db2.gz YQZCXHPBFQHGRI-ZDUSSCGKSA-N 1 0 398.941 2.500 20 0 GFADRO CC[N@@H+]1CCCC[C@H]1CNC(=O)/C=C\c1ccc(I)o1 ZINC000732138665 655592052 /nfs/dbraw/zinc/59/20/52/655592052.db2.gz FDZPPLBXTXHDRD-UPZNUWHASA-N 1 0 388.249 2.888 20 0 GFADRO CN(C(=O)/C=C/c1ccc(Br)o1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000732564150 655598066 /nfs/dbraw/zinc/59/80/66/655598066.db2.gz OZHSBHXZLLRIRL-DRDHIDPGSA-N 1 0 396.329 2.682 20 0 GFADRO CC(C)S(=O)(=O)Cc1cccc(NC(=S)NCC(C)(C)C[NH+](C)C)c1 ZINC000732725685 655600795 /nfs/dbraw/zinc/60/07/95/655600795.db2.gz UAMGISUATJPXTQ-UHFFFAOYSA-N 1 0 385.599 2.884 20 0 GFADRO C[N@H+](CCOc1cccc(Br)c1)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000732814770 655602836 /nfs/dbraw/zinc/60/28/36/655602836.db2.gz VFKILPHZDHJOGC-ZDUSSCGKSA-N 1 0 395.219 2.923 20 0 GFADRO CCOCCNC(=S)N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000733905476 655623262 /nfs/dbraw/zinc/62/32/62/655623262.db2.gz SMUFPWVPTFJLFH-HNNXBMFYSA-N 1 0 375.460 2.780 20 0 GFADRO S=C(NCCSc1ccccc1)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000735983323 655656617 /nfs/dbraw/zinc/65/66/17/655656617.db2.gz SNNRCDUGLKHPAB-MRXNPFEDSA-N 1 0 379.595 2.744 20 0 GFADRO O=C(/C=C\c1ccc(Br)o1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000736050160 655657431 /nfs/dbraw/zinc/65/74/31/655657431.db2.gz RXLNVJWYVVHRDV-RQOWECAXSA-N 1 0 383.286 2.626 20 0 GFADRO O=S(=O)(NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1cccnc1Cl ZINC000738365131 655689858 /nfs/dbraw/zinc/68/98/58/655689858.db2.gz GBVBZSSPZNHXEW-ZDUSSCGKSA-N 1 0 385.942 2.987 20 0 GFADRO CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NCc1n[nH]cc1Br ZINC000739019213 655692245 /nfs/dbraw/zinc/69/22/45/655692245.db2.gz ASXAKSLOXUIKQH-UHFFFAOYSA-N 1 0 380.290 2.575 20 0 GFADRO C[C@@H](NC(=S)NCCCN1CC[NH+](C)CC1)c1ccc(Br)cc1 ZINC000840705719 661177081 /nfs/dbraw/zinc/17/70/81/661177081.db2.gz YDKYRIKGEDOERY-CQSZACIVSA-N 1 0 399.402 2.612 20 0 GFADRO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]CCc1ccccc1F ZINC000743763760 655731315 /nfs/dbraw/zinc/73/13/15/655731315.db2.gz PJQIDDLGVBRNOV-AWEZNQCLSA-N 1 0 385.892 2.676 20 0 GFADRO O=C(CN1CC[NH+](CCCCO)CC1)Nc1c(Cl)cc(Cl)cc1Cl ZINC000746488889 655762365 /nfs/dbraw/zinc/76/23/65/655762365.db2.gz OUMSGHWQUOMAGI-UHFFFAOYSA-N 1 0 394.730 2.975 20 0 GFADRO CC[N@@H+]1CCC[C@@H](CNC(=O)/C=C\c2ccc(I)o2)C1 ZINC000746524532 655763354 /nfs/dbraw/zinc/76/33/54/655763354.db2.gz BAWBMHOUPVNLPJ-VFFGBVLKSA-N 1 0 388.249 2.746 20 0 GFADRO CC[N@@H+]1CC[C@H]2OCCN(C(=S)Nc3cccc(Br)c3)[C@H]2C1 ZINC000840754842 661183919 /nfs/dbraw/zinc/18/39/19/661183919.db2.gz MCPCNILLFXEFIE-LSDHHAIUSA-N 1 0 384.343 2.941 20 0 GFADRO CC[NH+](CC)CCO[C@H]1CCN(CCS(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000746676127 655766440 /nfs/dbraw/zinc/76/64/40/655766440.db2.gz SOMPSPLAQGDVRN-KRWDZBQOSA-N 1 0 388.961 2.546 20 0 GFADRO CC1(C)CCc2cc(C[NH2+]CCNS(=O)(=O)c3cccs3)ccc2O1 ZINC000746740725 655767018 /nfs/dbraw/zinc/76/70/18/655767018.db2.gz HDLZXEABYJIYCY-UHFFFAOYSA-N 1 0 380.535 2.920 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)/C=C\c1ccc(Br)o1 ZINC000747146256 655773017 /nfs/dbraw/zinc/77/30/17/655773017.db2.gz MWCCTXSJXNEOAM-YQQJLEDTSA-N 1 0 383.286 2.765 20 0 GFADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)NCc1ccon1 ZINC000747595274 655780318 /nfs/dbraw/zinc/78/03/18/655780318.db2.gz CGWAMORJWQWKEO-UHFFFAOYSA-N 1 0 381.274 2.711 20 0 GFADRO COCC[N@@H+]1CCC[C@@H]1CNC(=S)NCc1ccc(Br)cc1 ZINC000747648742 655781145 /nfs/dbraw/zinc/78/11/45/655781145.db2.gz XSZBWZAYFWJYOM-OAHLLOKOSA-N 1 0 386.359 2.524 20 0 GFADRO COCC[N@@H+]1CCC[C@H]1CNC(=S)NCc1ccc(Br)cc1 ZINC000747648741 655781167 /nfs/dbraw/zinc/78/11/67/655781167.db2.gz XSZBWZAYFWJYOM-HNNXBMFYSA-N 1 0 386.359 2.524 20 0 GFADRO C[NH+](C)[C@@]1(CNC(=O)NC[C@H](O)c2ccc(Cl)cc2Cl)CCSC1 ZINC000748648399 655793319 /nfs/dbraw/zinc/79/33/19/655793319.db2.gz VBZBLAVOOYCDPL-GOEBONIOSA-N 1 0 392.352 2.763 20 0 GFADRO O=C(Nc1ccc([S@](=O)C(F)(F)F)cc1)N1CC[NH+](CC2CC2)CC1 ZINC000750624207 655815817 /nfs/dbraw/zinc/81/58/17/655815817.db2.gz JHPLVHPDCMXDAA-VWLOTQADSA-N 1 0 375.416 2.874 20 0 GFADRO O=C(Cc1cccc(Br)c1)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000750728479 655816594 /nfs/dbraw/zinc/81/65/94/655816594.db2.gz PYTZNXWLXMIQRG-KRWDZBQOSA-N 1 0 381.314 2.751 20 0 GFADRO C[C@@H]1C[NH+](CN2C(=O)N[C@@](C)(c3ccc(F)cc3Br)C2=O)C[C@H]1C ZINC000751928666 655836246 /nfs/dbraw/zinc/83/62/46/655836246.db2.gz NTOKJYXDYPEURI-AGKHESDQSA-N 1 0 398.276 2.901 20 0 GFADRO O=C(Cc1ccc(Br)c(F)c1)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000751963367 655836825 /nfs/dbraw/zinc/83/68/25/655836825.db2.gz MSJSXVMTWDAVQZ-OAHLLOKOSA-N 1 0 399.304 2.890 20 0 GFADRO C[C@H](NC(=O)NC[C@]1([NH+](C)C)CCSC1)[C@@H](O)c1c(F)cccc1Cl ZINC000753017773 655849379 /nfs/dbraw/zinc/84/93/79/655849379.db2.gz BTQIHMUUIBCEMQ-UXEPBGEESA-N 1 0 389.924 2.638 20 0 GFADRO C[NH+](C)CCOc1ccc(CCNC(=O)c2scnc2Br)cc1 ZINC000754242325 655865590 /nfs/dbraw/zinc/86/55/90/655865590.db2.gz JKTWDYCHXPVTJM-UHFFFAOYSA-N 1 0 398.326 2.819 20 0 GFADRO CC(C)S(=O)(=O)CCC[NH2+][C@H](C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000754311690 655866248 /nfs/dbraw/zinc/86/62/48/655866248.db2.gz HCLSGOCNYDMPND-CVEARBPZSA-N 1 0 376.563 2.825 20 0 GFADRO NC(=O)c1ccc(NC(=O)CC[NH2+][C@@H](CCO)c2cccs2)cc1Cl ZINC000754385370 655867192 /nfs/dbraw/zinc/86/71/92/655867192.db2.gz PIDWSELJBROOAN-AWEZNQCLSA-N 1 0 381.885 2.542 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CNC(=S)NNc1cc(OC)ccc1Br ZINC000840868576 661196608 /nfs/dbraw/zinc/19/66/08/661196608.db2.gz AZNXYTDFFMDUCV-LLVKDONJSA-N 1 0 387.347 2.733 20 0 GFADRO CS(=O)(=O)N1CCC[C@@H](C[N@@H+]2CCC[C@@H]2COc2ccc(Cl)cc2)C1 ZINC000754638074 655870694 /nfs/dbraw/zinc/87/06/94/655870694.db2.gz IPZAKNHYECZVNI-DOTOQJQBSA-N 1 0 386.945 2.855 20 0 GFADRO Cc1ccc([C@@H](C)[NH2+]CC(=O)N(C2CCCC2)[C@H]2CCS(=O)(=O)C2)s1 ZINC000754670860 655871140 /nfs/dbraw/zinc/87/11/40/655871140.db2.gz OXUIZJPLWZOVFG-ZBFHGGJFSA-N 1 0 384.567 2.665 20 0 GFADRO CC[C@@H]([NH2+]CCS(=O)(=O)C1CC1)c1ccc(I)cc1 ZINC000840883851 661198271 /nfs/dbraw/zinc/19/82/71/661198271.db2.gz XQWGCZXGJNYQTN-CQSZACIVSA-N 1 0 393.290 2.909 20 0 GFADRO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000755336937 655882460 /nfs/dbraw/zinc/88/24/60/655882460.db2.gz ZYMCNRMISJNYBA-GFCCVEGCSA-N 1 0 379.254 2.688 20 0 GFADRO CC[N@H+](CCNC(=O)N[C@@H]1CC[C@@H]2SCCS[C@H]12)CCC(F)(F)F ZINC000755780239 655888907 /nfs/dbraw/zinc/88/89/07/655888907.db2.gz PSDNHLZOOQBALB-FRRDWIJNSA-N 1 0 385.521 2.940 20 0 GFADRO CCOC(=O)c1sc([C@H](C)NC(=S)NC[C@H]2CCC[N@@H+]2CC)nc1C ZINC000756800945 655905360 /nfs/dbraw/zinc/90/53/60/655905360.db2.gz PMGYSIHHCIHQDR-QWHCGFSZSA-N 1 0 384.571 2.638 20 0 GFADRO CC[C@@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1ccc(Cl)c(C(=O)OC)c1 ZINC000757497826 655912860 /nfs/dbraw/zinc/91/28/60/655912860.db2.gz XKCVNLIDAVLTPM-CYBMUJFWSA-N 1 0 388.917 2.669 20 0 GFADRO C[NH+](C)[C@@]1(CNC(=O)NC[C@@H](O)c2cc3ccccc3s2)CCSC1 ZINC000757722459 655915607 /nfs/dbraw/zinc/91/56/07/655915607.db2.gz LXZJYIWBPOMFPH-RDTXWAMCSA-N 1 0 379.551 2.671 20 0 GFADRO C[NH+]1CCN(Cc2ccc(NC(=O)c3ccnc(Br)c3)cc2)CC1 ZINC000758175146 655925344 /nfs/dbraw/zinc/92/53/44/655925344.db2.gz AURGHBSCNCSATF-UHFFFAOYSA-N 1 0 389.297 2.844 20 0 GFADRO COC(=O)c1cc(S(=O)(=O)NCC2(C[NH+](C)C)CCCC2)ccc1Cl ZINC000759140567 655948862 /nfs/dbraw/zinc/94/88/62/655948862.db2.gz MJPZZQZUDXDNKD-UHFFFAOYSA-N 1 0 388.917 2.527 20 0 GFADRO Cc1cc(Br)ccc1C[NH2+]CCNS(=O)(=O)Cc1ccccc1 ZINC000759273999 655951814 /nfs/dbraw/zinc/95/18/14/655951814.db2.gz DMXXXVONDWWYGO-UHFFFAOYSA-N 1 0 397.338 2.967 20 0 GFADRO O[C@H](CN1CCC(Oc2cccc(Br)c2)CC1)C[NH+]1CCCC1 ZINC000759912705 655966390 /nfs/dbraw/zinc/96/63/90/655966390.db2.gz YJRISHKTTIQYDU-INIZCTEOSA-N 1 0 383.330 2.749 20 0 GFADRO C[NH+]1CCC(CNC(=S)NCc2cccc(OCC(F)(F)F)c2)CC1 ZINC000760473159 655981982 /nfs/dbraw/zinc/98/19/82/655981982.db2.gz CVXZFIACVTUILW-UHFFFAOYSA-N 1 0 375.460 2.934 20 0 GFADRO CCN(C(=O)OC(C)(C)C)[C@H](C)C[NH2+]Cc1ccc(S(C)(=O)=O)s1 ZINC000840940697 661213743 /nfs/dbraw/zinc/21/37/43/661213743.db2.gz BOLLJJVHVNTPGN-GFCCVEGCSA-N 1 0 376.544 2.887 20 0 GFADRO C[C@H](C1=CC[N@H+](C)CC1)N1C(=O)N[C@@H](c2ccc(Br)cc2)C1=O ZINC000762315520 656038761 /nfs/dbraw/zinc/03/87/61/656038761.db2.gz JJSFBMDLAYSBTO-ABAIWWIYSA-N 1 0 378.270 2.692 20 0 GFADRO C[N@H+](CCNC(=O)N[C@@H]1CC[C@@H]2SCCS[C@H]12)Cc1ccc(F)cc1 ZINC000762585473 656050354 /nfs/dbraw/zinc/05/03/54/656050354.db2.gz LXDHJEGQHDXWJA-IXDOHACOSA-N 1 0 383.558 2.936 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCC[C@@H](S(C)(=O)=O)C1)c1cc(Br)ncc1F ZINC000762762645 656058421 /nfs/dbraw/zinc/05/84/21/656058421.db2.gz MKTKCBOJSDMDHJ-HBNTYKKESA-N 1 0 379.295 2.990 20 0 GFADRO Cc1c([C@H](C)[NH2+]CCc2ccnn2C)nnn1-c1cccc(Br)c1 ZINC000762779340 656058719 /nfs/dbraw/zinc/05/87/19/656058719.db2.gz UJXVFNVGLLOQNN-LBPRGKRZSA-N 1 0 389.301 2.965 20 0 GFADRO Cc1sc(Cl)nc1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000762902025 656063252 /nfs/dbraw/zinc/06/32/52/656063252.db2.gz UPJBNLILTJVRDZ-HUUCEWRRSA-N 1 0 379.913 2.718 20 0 GFADRO Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH2+]CCS(=O)(=O)C1CC1 ZINC000840965223 661222076 /nfs/dbraw/zinc/22/20/76/661222076.db2.gz ZSPZDSQWWLQMBZ-UHFFFAOYSA-N 1 0 381.929 2.868 20 0 GFADRO Cc1cc(NC(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)cnc1Br ZINC000763879763 656095316 /nfs/dbraw/zinc/09/53/16/656095316.db2.gz YLVIMRRVDMCSPF-CYBMUJFWSA-N 1 0 385.306 2.775 20 0 GFADRO CC[NH+](CC)C[C@H](C)NC(=O)c1ccnc(Cl)c1I ZINC000764005861 656098883 /nfs/dbraw/zinc/09/88/83/656098883.db2.gz FVCZCJZJMRAKJI-VIFPVBQESA-N 1 0 395.672 2.800 20 0 GFADRO C[NH+](C)CCn1ccc(NC(=O)c2nc(Br)sc2C2CC2)n1 ZINC000764459457 656111272 /nfs/dbraw/zinc/11/12/72/656111272.db2.gz IGCIOXUYUHMVLL-UHFFFAOYSA-N 1 0 384.303 2.793 20 0 GFADRO O=C(Nc1cc2c(cc1Br)OCCO2)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000841013898 661226521 /nfs/dbraw/zinc/22/65/21/661226521.db2.gz AKZCSHACOPXDRF-IJLUTSLNSA-N 1 0 396.285 2.730 20 0 GFADRO CC[NH2+]CC1CCN(C(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)CC1 ZINC000841012917 661226582 /nfs/dbraw/zinc/22/65/82/661226582.db2.gz JGTWBHLFCARDBC-UHFFFAOYSA-N 1 0 375.441 2.536 20 0 GFADRO C[C@H](Cc1ccc(F)c(Br)c1)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000765337254 656140459 /nfs/dbraw/zinc/14/04/59/656140459.db2.gz NJKMKEBMNRXAGD-BPLDGKMQSA-N 1 0 399.304 2.746 20 0 GFADRO COc1ccc(Br)c(C(=O)NCCC[NH2+][C@H](C)C[C@@H]2CCOC2)c1 ZINC000765886639 656154061 /nfs/dbraw/zinc/15/40/61/656154061.db2.gz VDAHPQRVJYADNA-KGLIPLIRSA-N 1 0 399.329 2.982 20 0 GFADRO CS[C@@H]1CC[C@H]([NH2+][C@@H](C)c2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 ZINC000766225126 656165627 /nfs/dbraw/zinc/16/56/27/656165627.db2.gz QUSRNMCAVPGSOP-BHYGNILZSA-N 1 0 384.567 2.642 20 0 GFADRO Cc1nn(Cc2ccccc2Cl)c(Cl)c1CN1CCC(O)(C[NH3+])CC1 ZINC000841106568 661233370 /nfs/dbraw/zinc/23/33/70/661233370.db2.gz CUVZQVWRFLLPMZ-UHFFFAOYSA-N 1 0 383.323 2.832 20 0 GFADRO COC(=O)[C@@H](c1cccc(Br)c1)N(C)C(=O)CCCC[NH+](C)C ZINC000767126054 656195082 /nfs/dbraw/zinc/19/50/82/656195082.db2.gz PAONIIPIWJWFLX-MRXNPFEDSA-N 1 0 385.302 2.854 20 0 GFADRO C[NH+]1CCN(c2cccc(C(=O)Nc3cc(Cl)c(N)c(Cl)c3)n2)CC1 ZINC000767161412 656195425 /nfs/dbraw/zinc/19/54/25/656195425.db2.gz LWWBAUKDBIFWGW-UHFFFAOYSA-N 1 0 380.279 2.975 20 0 GFADRO O=C(Nc1cnc(Br)c(Br)c1)N[C@H]1CCC[NH2+]CC1 ZINC000841142077 661237210 /nfs/dbraw/zinc/23/72/10/661237210.db2.gz MFXINQAHIOQYCA-QMMMGPOBSA-N 1 0 392.095 2.870 20 0 GFADRO C[C@@]1(CCNC(=O)C(=O)Nc2ccc3c(c2F)CC[NH2+]C3)CC1(Cl)Cl ZINC000841144191 661238215 /nfs/dbraw/zinc/23/82/15/661238215.db2.gz ZAELEZLJTQZHDT-MRXNPFEDSA-N 1 0 388.270 2.500 20 0 GFADRO COC1CC[NH+](CCNC(=O)Nc2cnc(Cl)c(Br)c2)CC1 ZINC000767912764 656226530 /nfs/dbraw/zinc/22/65/30/656226530.db2.gz KRHWOUCHZBAXJR-UHFFFAOYSA-N 1 0 391.697 2.730 20 0 GFADRO Cc1nc(Br)sc1C(=O)N1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000841158649 661239854 /nfs/dbraw/zinc/23/98/54/661239854.db2.gz XBJUVWJMCDGGCW-SDDRHHMPSA-N 1 0 388.331 2.538 20 0 GFADRO O=C(/C=C/c1ccc(Br)o1)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000768584201 656242824 /nfs/dbraw/zinc/24/28/24/656242824.db2.gz UFDNRCDTRPGKNA-CGMDNHBQSA-N 1 0 397.313 2.939 20 0 GFADRO CN(C(=O)C(=O)Nc1ccc(OC(F)F)c(Cl)c1)C1CCC([NH3+])CC1 ZINC000841190048 661243123 /nfs/dbraw/zinc/24/31/23/661243123.db2.gz YISCRDCDFMBEHX-UHFFFAOYSA-N 1 0 375.803 2.608 20 0 GFADRO CN(C(=O)C(=O)Nc1cccc(Br)c1Cl)C1CCC([NH3+])CC1 ZINC000841190101 661243200 /nfs/dbraw/zinc/24/32/00/661243200.db2.gz PGRHFLHYTVUCLR-UHFFFAOYSA-N 1 0 388.693 2.769 20 0 GFADRO CC(C)[N@@H+]1CCC[C@H](NC(=O)/C=C/c2ccc(I)o2)C1 ZINC000769657793 656284622 /nfs/dbraw/zinc/28/46/22/656284622.db2.gz UPEMHSCLGARTNT-WMADIVHISA-N 1 0 388.249 2.886 20 0 GFADRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)Nc1ccc2cc(Br)ccc2c1 ZINC000841231053 661246384 /nfs/dbraw/zinc/24/63/84/661246384.db2.gz VMPQNSHPSLYIJF-ZBEGNZNMSA-N 1 0 390.281 2.655 20 0 GFADRO O=C(NC[C@@H]1CC1(Cl)Cl)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000769978448 656302692 /nfs/dbraw/zinc/30/26/92/656302692.db2.gz VZRYISXNBPFQDH-AWEZNQCLSA-N 1 0 384.307 2.573 20 0 GFADRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)Nc1cc(C(F)(F)F)cc(Br)n1 ZINC000841242570 661248135 /nfs/dbraw/zinc/24/81/35/661248135.db2.gz YLSVADLLEAKKRM-APPZFPTMSA-N 1 0 381.196 2.982 20 0 GFADRO COC1CC[NH+](C(C)(C)CNC(=O)Nc2cccnc2Br)CC1 ZINC000770271581 656313670 /nfs/dbraw/zinc/31/36/70/656313670.db2.gz RBLWAOJLYXTUJC-UHFFFAOYSA-N 1 0 385.306 2.855 20 0 GFADRO O=C(Nc1cccc(Cl)c1SC(F)F)C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000841248685 661249076 /nfs/dbraw/zinc/24/90/76/661249076.db2.gz FOOAQNFSIHIFAE-GXSJLCMTSA-N 1 0 389.855 2.804 20 0 GFADRO O=C(NC[C@@H](O)c1ccc(Cl)cc1Cl)Nc1cnc2c(c1)C[NH2+]CC2 ZINC000841321378 661252109 /nfs/dbraw/zinc/25/21/09/661252109.db2.gz HNLJARZBCPRPOH-MRXNPFEDSA-N 1 0 381.263 2.889 20 0 GFADRO CS[C@H]1CN(c2ccc(S(=O)(=O)C(F)F)cc2)C[C@H]1[NH+]1CCCC1 ZINC000772581634 656383326 /nfs/dbraw/zinc/38/33/26/656383326.db2.gz WEJSZKRGCZNOMH-CABCVRRESA-N 1 0 376.494 2.699 20 0 GFADRO COCC[N@@H+]1CCC[C@@H](NC(=O)C[C@H](O)c2cc(Cl)cc(Cl)c2)C1 ZINC000772661103 656385250 /nfs/dbraw/zinc/38/52/50/656385250.db2.gz QACFHPNZJSNCBP-CVEARBPZSA-N 1 0 375.296 2.644 20 0 GFADRO CC[NH+]1CCC(CCNS(=O)(=O)c2ccc3nc(Cl)cnc3c2)CC1 ZINC000772942615 656394756 /nfs/dbraw/zinc/39/47/56/656394756.db2.gz BFDRZCDKECPVGE-UHFFFAOYSA-N 1 0 382.917 2.684 20 0 GFADRO C[N@@H+]1CCC[C@@H](CNC(=O)c2cc(=O)c3cc(Br)ccc3o2)C1 ZINC000841392185 661258944 /nfs/dbraw/zinc/25/89/44/661258944.db2.gz SZZHQLIJDZIKLY-NSHDSACASA-N 1 0 379.254 2.627 20 0 GFADRO COc1cc([C@@H](C)[NH2+][C@H](CO)CC(F)(F)F)ccc1S(=O)(=O)C(F)F ZINC000773107479 656399729 /nfs/dbraw/zinc/39/97/29/656399729.db2.gz PPEPZAMJWOPFLM-SCZZXKLOSA-N 1 0 391.358 2.655 20 0 GFADRO CN(CC[N@H+](C)C1CC1)C(=O)c1cc(=O)c2cc(Br)ccc2o1 ZINC000841422846 661263117 /nfs/dbraw/zinc/26/31/17/661263117.db2.gz QCFKSNXEGUCXIU-UHFFFAOYSA-N 1 0 379.254 2.722 20 0 GFADRO COCCS(=O)(=O)CCC[NH2+][C@@H](C)c1ccc(OC)c(Br)c1 ZINC000774831730 656560153 /nfs/dbraw/zinc/56/01/53/656560153.db2.gz YDMYDGYFYPUSBM-LBPRGKRZSA-N 1 0 394.331 2.560 20 0 GFADRO CC[NH+](CC)[C@H](CNC(=O)C(=O)NC[C@H]1CC1(Cl)Cl)c1ccsc1 ZINC000775152983 656604127 /nfs/dbraw/zinc/60/41/27/656604127.db2.gz QAENYRFICAZGRT-CHWSQXEVSA-N 1 0 392.352 2.557 20 0 GFADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)Nc1cc(F)c(Br)c(F)c1 ZINC000775375542 656632879 /nfs/dbraw/zinc/63/28/79/656632879.db2.gz KJZFHZXUUVIGDU-QWRGUYRKSA-N 1 0 390.228 2.712 20 0 GFADRO OC[C@@H]1CCN(Cc2ccccc2)C[C@@H]1[NH2+][C@@H]1CC[C@H]2SCCS[C@H]12 ZINC000775391637 656636029 /nfs/dbraw/zinc/63/60/29/656636029.db2.gz CFCFEAGIWXIDLC-PXTPFGJHSA-N 1 0 378.607 2.839 20 0 GFADRO CS(=O)(=O)C[C@@H]([NH2+]C[C@@H](O)c1cccc(Br)c1)c1ccccc1 ZINC000775550083 656648727 /nfs/dbraw/zinc/64/87/27/656648727.db2.gz XEDJHMXGIVGODB-IAGOWNOFSA-N 1 0 398.322 2.858 20 0 GFADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)Nc2cc(Br)ncc2C)CC1 ZINC000776035570 656703454 /nfs/dbraw/zinc/70/34/54/656703454.db2.gz DOGYCROSYLMKCG-ZDUSSCGKSA-N 1 0 398.349 2.548 20 0 GFADRO COC(=O)N1CCC([C@@H](C)[NH2+]CCS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000776807226 656796269 /nfs/dbraw/zinc/79/62/69/656796269.db2.gz FXTITADPNIDHND-CYBMUJFWSA-N 1 0 388.917 2.570 20 0 GFADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)Nc3cccc(Br)c3)CC2)C1 ZINC000776828734 656796860 /nfs/dbraw/zinc/79/68/60/656796860.db2.gz SEHGOYNVTZOMNX-INIZCTEOSA-N 1 0 381.318 2.693 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)NCC[N@H+]2CCC[C@H]2C)cc1Br ZINC000777135522 656812836 /nfs/dbraw/zinc/81/28/36/656812836.db2.gz IGFZKYRHPRMLGJ-CYBMUJFWSA-N 1 0 382.302 2.605 20 0 GFADRO NC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(N[C@@H]2CC[C@H]3SCCS[C@@H]23)c1 ZINC000777239342 656815535 /nfs/dbraw/zinc/81/55/35/656815535.db2.gz STTHMFZDPHTVLI-XDNAFOTISA-N 1 0 377.579 2.928 20 0 GFADRO C[NH+](C)CCCNC(=S)N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1 ZINC000777917905 656842524 /nfs/dbraw/zinc/84/25/24/656842524.db2.gz VAOXQIYUMDPDAU-GFCCVEGCSA-N 1 0 375.369 2.988 20 0 GFADRO C[NH+]1CCN(Cc2ccc(NC(=O)c3nc(Br)cs3)cc2)CC1 ZINC000779739947 656939298 /nfs/dbraw/zinc/93/92/98/656939298.db2.gz MIPGCWIYHSXXDE-UHFFFAOYSA-N 1 0 395.326 2.905 20 0 GFADRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)c2cnc3ncc(Br)cc3c2)C1 ZINC000780856178 657033167 /nfs/dbraw/zinc/03/31/67/657033167.db2.gz HGKTZOSPZXPDKU-CABCVRRESA-N 1 0 377.286 2.995 20 0 GFADRO CS[C@@H]1CN(S(=O)(=O)c2cccc(C(F)F)c2)C[C@H]1[NH+]1CCCC1 ZINC000782481390 657149194 /nfs/dbraw/zinc/14/91/94/657149194.db2.gz FRAYVQSTKLSBPC-HUUCEWRRSA-N 1 0 376.494 2.825 20 0 GFADRO C[NH+](C)CCc1ccccc1NC(=O)c1nccn2c(Br)cnc12 ZINC000782737298 657177787 /nfs/dbraw/zinc/17/77/87/657177787.db2.gz YYJAWYFGUFHIBV-UHFFFAOYSA-N 1 0 388.269 2.848 20 0 GFADRO CSc1nnc(CNC(=O)/C=C\c2ccc(OCC[NH+](C)C)cc2)s1 ZINC000783874085 657267208 /nfs/dbraw/zinc/26/72/08/657267208.db2.gz IMSMPECLFAIKQR-TWGQIWQCSA-N 1 0 378.523 2.530 20 0 GFADRO CCN(CC)C(=O)[C@H](Cc1ccccc1)[NH2+]Cc1cc(Br)nn1C ZINC000785410243 657362271 /nfs/dbraw/zinc/36/22/71/657362271.db2.gz DOJDLQRXSLYANZ-INIZCTEOSA-N 1 0 393.329 2.752 20 0 GFADRO COc1ccccc1N1CC[C@H](C[NH2+]Cc2cc(Br)nn2C)C1 ZINC000785446626 657365342 /nfs/dbraw/zinc/36/53/42/657365342.db2.gz VUPNVKSFRBSUEY-CYBMUJFWSA-N 1 0 379.302 2.807 20 0 GFADRO Cn1nc(Br)cc1CNc1ccccc1C[NH+]1CCC(O)CC1 ZINC000785469533 657366577 /nfs/dbraw/zinc/36/65/77/657366577.db2.gz ASAJTXAOCHQTSD-UHFFFAOYSA-N 1 0 379.302 2.751 20 0 GFADRO Cn1nc(Br)cc1C[NH2+]C[C@@H]1CSCCN1Cc1ccccc1 ZINC000785519594 657371443 /nfs/dbraw/zinc/37/14/43/657371443.db2.gz DZHBKBAGGKRAGE-MRXNPFEDSA-N 1 0 395.370 2.890 20 0 GFADRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)c2nc(Br)ccc2C)C1 ZINC000786631499 657447400 /nfs/dbraw/zinc/44/74/00/657447400.db2.gz IFKUGQVIMDOVLR-CQSZACIVSA-N 1 0 384.318 2.725 20 0 GFADRO CC(C)(C)OC(=O)NC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(S(C)(=O)=O)s1 ZINC000786958961 657496308 /nfs/dbraw/zinc/49/63/08/657496308.db2.gz OQLZYKARUJNFBY-JSGCOSHPSA-N 1 0 388.555 2.935 20 0 GFADRO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)c1ncc(Br)cn1 ZINC000786999728 657502865 /nfs/dbraw/zinc/50/28/65/657502865.db2.gz OPDVCEGUPMXUII-GFCCVEGCSA-N 1 0 381.299 2.868 20 0 GFADRO CCN(CCC[NH+](C)C)C(=O)/C=C\c1ccc(I)o1 ZINC000787531760 657565621 /nfs/dbraw/zinc/56/56/21/657565621.db2.gz HRTRGTIWBOVAKL-CLFYSBASSA-N 1 0 376.238 2.698 20 0 GFADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000787669172 657584495 /nfs/dbraw/zinc/58/44/95/657584495.db2.gz GVAYXUKAZNCFJV-YVEFUNNKSA-N 1 0 387.307 2.739 20 0 GFADRO COc1cc(C(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)cnc1Br ZINC000788200594 657668965 /nfs/dbraw/zinc/66/89/65/657668965.db2.gz HRFKYIVUZVHTPF-CQSZACIVSA-N 1 0 382.302 2.943 20 0 GFADRO C[C@H]1C[C@H](NC(=O)c2cc(Br)n[nH]2)CC[N@@H+]1Cc1ccccc1 ZINC000788303936 657693437 /nfs/dbraw/zinc/69/34/37/657693437.db2.gz HGTRWMSHJHVOHI-GXTWGEPZSA-N 1 0 377.286 2.955 20 0 GFADRO Cc1ccc(S(=O)(=O)N2CC[C@@H]([N@H+](C)Cc3ccccc3)C2)c(Cl)n1 ZINC000788635784 657757059 /nfs/dbraw/zinc/75/70/59/657757059.db2.gz IIRWOVLIVLSEBD-MRXNPFEDSA-N 1 0 379.913 2.938 20 0 GFADRO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]CC[C@@](C)(O)c1ccccc1 ZINC000788768300 657784779 /nfs/dbraw/zinc/78/47/79/657784779.db2.gz ZIZFSBJSXXHATG-KBXCAEBGSA-N 1 0 379.298 2.887 20 0 GFADRO C[N@H+](C[C@@H](O)c1ccc(Br)cc1)C1CCN(c2cnccn2)CC1 ZINC000789367521 657842561 /nfs/dbraw/zinc/84/25/61/657842561.db2.gz URFOLCSXWTTXAJ-QGZVFWFLSA-N 1 0 391.313 2.873 20 0 GFADRO O=c1c(Br)nn(C[N@@H+]2CCC[C@H]2[C@H]2CCCO2)c2ccccc12 ZINC000789508268 657857597 /nfs/dbraw/zinc/85/75/97/657857597.db2.gz QHYFRQMFXYGXCS-LSDHHAIUSA-N 1 0 378.270 2.760 20 0 GFADRO NC(=O)C1CC[NH+](Cc2cccc(NC(=O)c3nc(Cl)cs3)c2)CC1 ZINC000789897327 657898993 /nfs/dbraw/zinc/89/89/93/657898993.db2.gz XFTINRPDRAJSIS-UHFFFAOYSA-N 1 0 378.885 2.746 20 0 GFADRO COC(=O)c1c2cnn(C[N@H+](C)CC(C)(C)OC)c2ccc1Br ZINC000790441854 657979345 /nfs/dbraw/zinc/97/93/45/657979345.db2.gz DNMFPOYPXNXKCK-UHFFFAOYSA-N 1 0 384.274 2.900 20 0 GFADRO CC[NH+](CC)C[C@@H](C)NS(=O)(=O)c1cc(C(=O)OC)c(Cl)cc1Cl ZINC000790881212 658039874 /nfs/dbraw/zinc/03/98/74/658039874.db2.gz ZTSMAVGVLRMUGR-SNVBAGLBSA-N 1 0 397.324 2.789 20 0 GFADRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)CN1C(=S)N=NC1c1cccs1 ZINC000791059322 658056363 /nfs/dbraw/zinc/05/63/63/658056363.db2.gz HQECGPWUOJTYPB-ZDUSSCGKSA-N 1 0 379.555 2.532 20 0 GFADRO Nc1nc(N2CCC[C@H](OC(=O)c3cccc(Br)c3)C2)cc[nH+]1 ZINC000791110766 658059734 /nfs/dbraw/zinc/05/97/34/658059734.db2.gz XBSVJAQXQBYIOG-ZDUSSCGKSA-N 1 0 377.242 2.647 20 0 GFADRO C[C@]12CC[N@H+](CCN(Cc3ccccc3)S(C)(=O)=O)C[C@H]1C2(Cl)Cl ZINC000792916647 658330485 /nfs/dbraw/zinc/33/04/85/658330485.db2.gz ZMZHYPYLWGPEED-CVEARBPZSA-N 1 0 391.364 2.964 20 0 GFADRO CSCCONC(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000793423931 658395208 /nfs/dbraw/zinc/39/52/08/658395208.db2.gz ONVCYECCCLXWIY-UHFFFAOYSA-N 1 0 390.347 2.817 20 0 GFADRO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)NCC[N@H+]1CC=CCC1 ZINC000794119306 658489814 /nfs/dbraw/zinc/48/98/14/658489814.db2.gz RKTMXPXSBNOKFT-UHFFFAOYSA-N 1 0 391.265 2.856 20 0 GFADRO O=C(Nc1cccc(C[N@H+]2CC[C@@H](O)C2)c1)c1cccc(Br)n1 ZINC000794593460 658572602 /nfs/dbraw/zinc/57/26/02/658572602.db2.gz MZUPCTFZOSSKIH-CQSZACIVSA-N 1 0 376.254 2.663 20 0 GFADRO CCS[C@@H]1CCC[C@H]1[NH2+]CC(=O)Nc1sc2c(c1C(N)=O)CCCC2 ZINC000794603506 658576105 /nfs/dbraw/zinc/57/61/05/658576105.db2.gz DWHLMKPZZGHDRJ-TZMCWYRMSA-N 1 0 381.567 2.928 20 0 GFADRO C[C@@H](NC(=O)C1([NH+](C)C)CCC1)c1ccc(Br)cc1OCCCO ZINC000794760914 658609932 /nfs/dbraw/zinc/60/99/32/658609932.db2.gz XMYYESFNSGIJQC-CYBMUJFWSA-N 1 0 399.329 2.872 20 0 GFADRO C[NH+]1CCN(c2ccc(NC(=S)NCCCCC(F)(F)F)cn2)CC1 ZINC000794973867 658643497 /nfs/dbraw/zinc/64/34/97/658643497.db2.gz OVTNZFXZGHLDSW-UHFFFAOYSA-N 1 0 375.464 2.852 20 0 GFADRO CCO[C@@H](CC[NH+](C)C)CNS(=O)(=O)c1cc(C(=O)CC)ccc1Cl ZINC000795136191 658686100 /nfs/dbraw/zinc/68/61/00/658686100.db2.gz HEDATEDSSYUJOP-AWEZNQCLSA-N 1 0 390.933 2.568 20 0 GFADRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1Cn1c(=O)oc2cccc(Br)c21 ZINC000795708154 658843509 /nfs/dbraw/zinc/84/35/09/658843509.db2.gz RSFXMFFTAFWWHE-CHWSQXEVSA-N 1 0 380.286 2.873 20 0 GFADRO O=S(=O)(NC1CC[NH+](C[C@H]2CCCO2)CC1)c1csc2ccccc21 ZINC000795840047 658856874 /nfs/dbraw/zinc/85/68/74/658856874.db2.gz VJTBIOKSUCVKHK-OAHLLOKOSA-N 1 0 380.535 2.823 20 0 GFADRO CC(=O)NCCC[NH2+][C@@H](CO)c1ccc(Br)cc1C(F)(F)F ZINC000796574347 658924002 /nfs/dbraw/zinc/92/40/02/658924002.db2.gz QNOSWKSBMZNSTP-ZDUSSCGKSA-N 1 0 383.208 2.617 20 0 GFADRO CC(C)([NH2+]C[C@@H](O)COc1ccc(Cl)c(Cl)c1)C(=O)N1CCCC1 ZINC000796580025 658924482 /nfs/dbraw/zinc/92/44/82/658924482.db2.gz MTJSELHHFIWVMU-GFCCVEGCSA-N 1 0 375.296 2.724 20 0 GFADRO CC(C)S(=O)(=O)CC[NH2+][C@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1 ZINC000796605619 658926483 /nfs/dbraw/zinc/92/64/83/658926483.db2.gz SPZIVAPWPYPPQZ-INIZCTEOSA-N 1 0 379.444 2.820 20 0 GFADRO C[C@H](C[C@H]1CCOC1)[NH2+]CCNS(=O)(=O)c1cccc(Cl)c1Cl ZINC000797035395 658966360 /nfs/dbraw/zinc/96/63/60/658966360.db2.gz CFOLPHOEOUYZIE-VXGBXAGGSA-N 1 0 381.325 2.676 20 0 GFADRO C[C@@H](C[C@H]1CCOC1)[NH2+]CCNS(=O)(=O)c1cccc(Cl)c1Cl ZINC000797035393 658966651 /nfs/dbraw/zinc/96/66/51/658966651.db2.gz CFOLPHOEOUYZIE-NWDGAFQWSA-N 1 0 381.325 2.676 20 0 GFADRO Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N1CCC(C)=C(Br)C1 ZINC000797544009 659033616 /nfs/dbraw/zinc/03/36/16/659033616.db2.gz PMGCDFZGBJUKOX-UHFFFAOYSA-N 1 0 394.313 2.896 20 0 GFADRO C[NH+]1CCN(c2ccc(NC(=O)Cc3cccnc3Br)cc2)CC1 ZINC000798274906 659091489 /nfs/dbraw/zinc/09/14/89/659091489.db2.gz BLERFWVWVNJQKZ-UHFFFAOYSA-N 1 0 389.297 2.777 20 0 GFADRO Cc1nn(CCOC(=O)[C@H](C(C)C)[NH+](C)C)c2ncc(Br)cc12 ZINC000798839840 659149800 /nfs/dbraw/zinc/14/98/00/659149800.db2.gz IRHGZEUOQXGTOW-AWEZNQCLSA-N 1 0 383.290 2.632 20 0 GFADRO C[C@H]1CN(C(=O)C[NH+]2CCC(c3cccc(Br)c3)CC2)CCO1 ZINC000799199964 659172691 /nfs/dbraw/zinc/17/26/91/659172691.db2.gz SFTANMKURJXCRF-AWEZNQCLSA-N 1 0 381.314 2.876 20 0 GFADRO Cc1ccc(/C=C\C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)c(Br)c1 ZINC000799742933 659219966 /nfs/dbraw/zinc/21/99/66/659219966.db2.gz OGHGEMBQEHJQBF-FPLPWBNLSA-N 1 0 394.357 2.913 20 0 GFADRO Cc1nn(C)c(Br)c1C(=O)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000800940540 659355233 /nfs/dbraw/zinc/35/52/33/659355233.db2.gz TURVXEAYGRJZGK-WFASDCNBSA-N 1 0 391.313 2.741 20 0 GFADRO C[C@H](CCNS(=O)(=O)c1ccccc1)[NH2+]Cc1occc1Br ZINC000801734771 659420592 /nfs/dbraw/zinc/42/05/92/659420592.db2.gz IVNUGVWTSTVDQX-GFCCVEGCSA-N 1 0 387.299 2.889 20 0 GFADRO CC[N@H+](CC[C@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@H](C)CS(C)(=O)=O ZINC000801920329 659434286 /nfs/dbraw/zinc/43/42/86/659434286.db2.gz PFIDWIWGZINUHE-HZPDHXFCSA-N 1 0 376.563 2.779 20 0 GFADRO C[N@@H+]1CCC[C@@H]2CN(CN3Cc4c(cccc4Br)C3=O)CC[C@@H]21 ZINC000802732185 659500011 /nfs/dbraw/zinc/50/00/11/659500011.db2.gz BOQQEHQZJBLMJC-DYVFJYSZSA-N 1 0 378.314 2.779 20 0 GFADRO O=C(N[C@H]1CCc2cncn2C1)[C@@H]1CC(c2ccc(Cl)cc2Cl)=NO1 ZINC000804333877 659635520 /nfs/dbraw/zinc/63/55/20/659635520.db2.gz RRGFMUYNWUNUAY-ZBEGNZNMSA-N 1 0 379.247 2.814 20 0 GFADRO O=C(N[C@@H]1CCc2cncn2C1)[C@H]1CC(c2ccc(Cl)cc2Cl)=NO1 ZINC000804333874 659635701 /nfs/dbraw/zinc/63/57/01/659635701.db2.gz RRGFMUYNWUNUAY-BDJLRTHQSA-N 1 0 379.247 2.814 20 0 GFADRO O=S(=O)(N1CCC(C[NH2+][C@H]2CCc3nc(Cl)ccc32)CC1)C(F)(F)F ZINC000806139312 659826294 /nfs/dbraw/zinc/82/62/94/659826294.db2.gz NKFYYXAWYDOULD-LBPRGKRZSA-N 1 0 397.850 2.874 20 0 GFADRO C[NH+](C)[C@]1(CNC(=O)c2nc(Br)sc2C2CC2)CCSC1 ZINC000807002025 659846088 /nfs/dbraw/zinc/84/60/88/659846088.db2.gz PWWLCKZZJMKLLJ-AWEZNQCLSA-N 1 0 390.372 2.950 20 0 GFADRO CC(=O)N(c1nn(CN2CC[C@@H]([NH+]3CCCC3)[C@H]2C)c(=S)s1)C1CC1 ZINC000808190235 659880875 /nfs/dbraw/zinc/88/08/75/659880875.db2.gz FMUZASWNHAIKLJ-IUODEOHRSA-N 1 0 381.571 2.705 20 0 GFADRO O=C(/C=C(\c1ccc(Cl)cc1)C(F)(F)F)N[C@H](CO)C[NH+]1CCCC1 ZINC000808225214 659882886 /nfs/dbraw/zinc/88/28/86/659882886.db2.gz YTEIRXUIIYKVKD-AHSSXEFNSA-N 1 0 376.806 2.859 20 0 GFADRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]C[C@@H](O)c3ccc(Br)cc3)[C@H]2C1 ZINC000808783968 659906482 /nfs/dbraw/zinc/90/64/82/659906482.db2.gz WDBDMLISFFBRJR-LEUOFYLZSA-N 1 0 381.314 2.719 20 0 GFADRO C[C@H](O)c1ncc(C[NH2+]CCCNC(=O)c2ccc(Br)cc2)s1 ZINC000809612895 659934034 /nfs/dbraw/zinc/93/40/34/659934034.db2.gz DIMWAJMLQUTECA-NSHDSACASA-N 1 0 398.326 2.869 20 0 GFADRO O=C(C[N@H+]1CCC[C@@H]([C@@H](O)c2ccc(Br)cc2)C1)NCC1CC1 ZINC000810048788 659957787 /nfs/dbraw/zinc/95/77/87/659957787.db2.gz MLPYDXDJKGWAHN-QAPCUYQASA-N 1 0 381.314 2.721 20 0 GFADRO O[C@@H](C[NH2+]Cc1cn2ccc(Br)cc2n1)COc1cccc(F)c1 ZINC000810134280 659964088 /nfs/dbraw/zinc/96/40/88/659964088.db2.gz RMYWXFHBVRWOCI-HNNXBMFYSA-N 1 0 394.244 2.765 20 0 GFADRO Nc1nc(N2CCC[C@H](OC(=O)c3cc(Br)cs3)C2)cc[nH+]1 ZINC000810769758 659985378 /nfs/dbraw/zinc/98/53/78/659985378.db2.gz DSLADOPLECDXSW-JTQLQIEISA-N 1 0 383.271 2.709 20 0 GFADRO CS(=O)(=O)[C@H]1CCC[C@@H]([NH2+]Cc2c(F)ccc(C3OCCO3)c2Cl)C1 ZINC000812833911 660035552 /nfs/dbraw/zinc/03/55/52/660035552.db2.gz DCIULIONMTXMPK-NEPJUHHUSA-N 1 0 391.892 2.970 20 0 GFADRO Cc1cnc(Br)c(NC(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)c1 ZINC000813003321 660039678 /nfs/dbraw/zinc/03/96/78/660039678.db2.gz MLZOCDKXLZTJBX-CYBMUJFWSA-N 1 0 385.306 2.727 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)N2CC(=O)Nc3cc(Br)ccc32)C1 ZINC000813107505 660043876 /nfs/dbraw/zinc/04/38/76/660043876.db2.gz RNHHQRNKESQUHB-KRWDZBQOSA-N 1 0 398.276 2.947 20 0 GFADRO C[C@@H]([NH2+][C@@H](C)CCCCNC(=O)OC(C)(C)C)C1CCS(=O)(=O)CC1 ZINC000813876782 660066300 /nfs/dbraw/zinc/06/63/00/660066300.db2.gz ZQRIDAVMPXILRY-LSDHHAIUSA-N 1 0 376.563 2.873 20 0 GFADRO O=S(=O)(c1ccc(Cl)c2nonc21)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000814382102 660078522 /nfs/dbraw/zinc/07/85/22/660078522.db2.gz LERAJCUSYBCFCE-GFCCVEGCSA-N 1 0 384.889 2.515 20 0 GFADRO CSCc1cnc(C[NH2+]CCN2CCN(C(=O)OC(C)(C)C)CC2)s1 ZINC000815123623 660113708 /nfs/dbraw/zinc/11/37/08/660113708.db2.gz KBBLLFODNVOWBG-UHFFFAOYSA-N 1 0 386.587 2.648 20 0 GFADRO CS(=O)(=O)CC1CCC([NH2+]C[C@@](O)(c2ccccc2)C(F)(F)F)CC1 ZINC000815574408 660125826 /nfs/dbraw/zinc/12/58/26/660125826.db2.gz OXAZYZSPGVHHJQ-AVVWSFFYSA-N 1 0 379.444 2.630 20 0 GFADRO O=C(NC1CC[NH+](Cc2ccccn2)CC1)c1nc(F)ccc1Br ZINC000816890032 660171481 /nfs/dbraw/zinc/17/14/81/660171481.db2.gz VXHVAKYODKJWPG-UHFFFAOYSA-N 1 0 393.260 2.773 20 0 GFADRO CN(C[C@@H](O)c1ccccc1Br)C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000841972350 661318648 /nfs/dbraw/zinc/31/86/48/661318648.db2.gz FZARFSXWIDEVQO-WBVHZDCISA-N 1 0 384.318 2.514 20 0 GFADRO [NH3+][C@@H]1CCO[C@H](C2CCN(S(=O)(=O)/C=C/c3cccc(Cl)c3)CC2)C1 ZINC000842484694 661341764 /nfs/dbraw/zinc/34/17/64/661341764.db2.gz LAPKFLANMIKVNT-UVWGOUGDSA-N 1 0 384.929 2.859 20 0 GFADRO CCN(CC)S(=O)(=O)c1cc(-c2nc([C@@H](C)C[NH2+]C)no2)ccc1Cl ZINC000842577045 661344133 /nfs/dbraw/zinc/34/41/33/661344133.db2.gz KZOVOPDFLLFBJQ-NSHDSACASA-N 1 0 386.905 2.743 20 0 GFADRO CON(C)S(=O)(=O)c1cc(-c2nc([C@@H]([NH3+])CC(C)C)no2)ccc1Cl ZINC000842588122 661344633 /nfs/dbraw/zinc/34/46/33/661344633.db2.gz KTDPVMAHERJYHC-LBPRGKRZSA-N 1 0 388.877 2.618 20 0 GFADRO [NH3+]C1(c2noc(-c3ccc4ncc(I)n4c3)n2)CCCC1 ZINC000842590821 661344857 /nfs/dbraw/zinc/34/48/57/661344857.db2.gz WCKRTWXVIDTFHM-UHFFFAOYSA-N 1 0 395.204 2.717 20 0 GFADRO C[NH2+]CCN(C)C(=O)C[C@@H](C)CCc1ccc(I)cc1 ZINC000843452375 661381950 /nfs/dbraw/zinc/38/19/50/661381950.db2.gz CRYHMIPYRYKSNW-ZDUSSCGKSA-N 1 0 388.293 2.928 20 0 GFADRO O=C1CCc2cc(Cl)c(S(=O)(=O)N3CCC4(CC[NH2+]CC4)CC3)cc21 ZINC000842784563 661353947 /nfs/dbraw/zinc/35/39/47/661353947.db2.gz NEJVJTJIEZJNPZ-UHFFFAOYSA-N 1 0 382.913 2.623 20 0 GFADRO C[NH2+]CCC1CCN(S(=O)(=O)c2cc(Br)cnc2Cl)CC1 ZINC000842824674 661356402 /nfs/dbraw/zinc/35/64/02/661356402.db2.gz DZTBNINPPBPDNM-UHFFFAOYSA-N 1 0 396.738 2.508 20 0 GFADRO O=S(=O)(/C=C/c1ccccc1Br)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000842859866 661357575 /nfs/dbraw/zinc/35/75/75/661357575.db2.gz ANQHECMZOLYQQU-HKUPYCBJSA-N 1 0 385.327 2.825 20 0 GFADRO O=S(=O)(c1cnc(Cl)c(Cl)c1)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000842873037 661358347 /nfs/dbraw/zinc/35/83/47/661358347.db2.gz GUSFLLGOZIPBKR-NEPJUHHUSA-N 1 0 378.325 2.789 20 0 GFADRO O=S(=O)(N[C@@H]1C[NH2+]CCC1(F)F)c1ccc(SC(F)(F)F)cc1 ZINC000842891146 661358774 /nfs/dbraw/zinc/35/87/74/661358774.db2.gz ZWWRIFKQUNHFJI-SNVBAGLBSA-N 1 0 376.372 2.574 20 0 GFADRO C[C@](O)(C[NH2+]C[C@H](CO)Cc1ccco1)c1ccc(Br)cc1F ZINC000843058899 661365585 /nfs/dbraw/zinc/36/55/85/661365585.db2.gz BKGJRPRSYLSMHJ-PXAZEXFGSA-N 1 0 386.261 2.830 20 0 GFADRO C[C@H]([NH2+]C[C@H](O)COc1ccc(Br)cc1)[C@@H](O)c1ccccc1 ZINC000843063088 661365818 /nfs/dbraw/zinc/36/58/18/661365818.db2.gz RYSPORKZVAGRFX-QANKJYHBSA-N 1 0 380.282 2.901 20 0 GFADRO COc1cc(OC)cc([C@@H](O)C[NH2+]C[C@@H](O)c2ccccc2Br)c1 ZINC000843067701 661365941 /nfs/dbraw/zinc/36/59/41/661365941.db2.gz HGBHQXAYBITJEO-ZWKOTPCHSA-N 1 0 396.281 2.823 20 0 GFADRO O[C@@H](C[NH2+]C[C@@H](O)c1ccsc1)COc1cc(F)cc(Br)c1 ZINC000843081598 661366836 /nfs/dbraw/zinc/36/68/36/661366836.db2.gz DIXSQLBIBTWPNI-DZGCQCFKSA-N 1 0 390.274 2.713 20 0 GFADRO C[C@@](O)(C[NH2+]C[C@H](O)C1CCOCC1)c1ccc(Br)cc1Cl ZINC000843083907 661367068 /nfs/dbraw/zinc/36/70/68/661367068.db2.gz SDQKJSAAYZCRFW-JKSUJKDBSA-N 1 0 392.721 2.687 20 0 GFADRO Cc1ccc(OC[C@@H](O)C[NH2+]C[C@@H](O)c2ccccc2Br)cc1 ZINC000843097590 661367758 /nfs/dbraw/zinc/36/77/58/661367758.db2.gz ZZIFUAGRKNYKGU-KBXCAEBGSA-N 1 0 380.282 2.820 20 0 GFADRO Cc1ccc([C@H](O)C[NH2+]C[C@@H](O)COc2ccccc2Br)cc1 ZINC000843098064 661367945 /nfs/dbraw/zinc/36/79/45/661367945.db2.gz UUEXNJQZXKVLPL-NVXWUHKLSA-N 1 0 380.282 2.820 20 0 GFADRO COc1ccc([C@@H](CO)C[NH2+]C[C@@H](O)c2cccc(Br)c2)cc1 ZINC000843098041 661367999 /nfs/dbraw/zinc/36/79/99/661367999.db2.gz UMDNKYAMQSVCDB-CRAIPNDOSA-N 1 0 380.282 2.857 20 0 GFADRO C[C@@](O)(C[NH2+][C@H](CCO)C1CCOCC1)c1ccc(Br)cc1F ZINC000843108989 661368342 /nfs/dbraw/zinc/36/83/42/661368342.db2.gz QKKNOZCHQDBRSE-IAGOWNOFSA-N 1 0 390.293 2.563 20 0 GFADRO Cc1nc(C[NH2+]C[C@H](O)COc2cccc(Br)c2)ccc1[C@@H](C)O ZINC000843108369 661368403 /nfs/dbraw/zinc/36/84/03/661368403.db2.gz YWDXDRSSYUUEMH-CJNGLKHVSA-N 1 0 395.297 2.735 20 0 GFADRO O[C@@H](C[NH2+]C[C@@H](O)c1cccc(Br)c1)COc1ccccc1F ZINC000843112087 661368702 /nfs/dbraw/zinc/36/87/02/661368702.db2.gz DDFSUSSXFBAYQL-GOEBONIOSA-N 1 0 384.245 2.651 20 0 GFADRO [NH3+]CCc1noc([C@@H]2CCCCN2C(=O)c2ccc(Br)c(F)c2)n1 ZINC000843132282 661370413 /nfs/dbraw/zinc/37/04/13/661370413.db2.gz QPGJCZKINMSLMA-ZDUSSCGKSA-N 1 0 397.248 2.840 20 0 GFADRO Cc1c(-c2nc(C3CC[NH2+]CC3)no2)nnn1-c1cccc(Br)c1 ZINC000843138708 661370587 /nfs/dbraw/zinc/37/05/87/661370587.db2.gz YWGXZBUGFQHFAA-UHFFFAOYSA-N 1 0 389.257 2.855 20 0 GFADRO COc1cc(Br)c(Cc2noc(CC3CC[NH2+]CC3)n2)cc1OC ZINC000843196823 661371490 /nfs/dbraw/zinc/37/14/90/661371490.db2.gz LVTYIWXNSWUJLS-UHFFFAOYSA-N 1 0 396.285 2.982 20 0 GFADRO COc1cc(Br)c(Cc2noc(C[C@@H]3CCC[NH2+]3)n2)cc1OC ZINC000843196649 661371547 /nfs/dbraw/zinc/37/15/47/661371547.db2.gz IKWBBBQDAFKASB-NSHDSACASA-N 1 0 382.258 2.735 20 0 GFADRO O=S(=O)(Cc1noc(C2CC[NH2+]CC2)n1)c1cc(Cl)ccc1Cl ZINC000843199731 661371874 /nfs/dbraw/zinc/37/18/74/661371874.db2.gz HGQRUXJRNRAUGT-UHFFFAOYSA-N 1 0 376.265 2.817 20 0 GFADRO C[C@H](NC(=O)C(=O)NCCCCCC[NH3+])c1cc(F)c(Cl)cc1Cl ZINC000843260444 661374810 /nfs/dbraw/zinc/37/48/10/661374810.db2.gz YALDHDDENFIZCM-JTQLQIEISA-N 1 0 378.275 2.945 20 0 GFADRO COC(=O)[C@@H]1C[NH2+]CCCN1Cc1ccc(OC)c(SC(F)(F)F)c1 ZINC000843384706 661379174 /nfs/dbraw/zinc/37/91/74/661379174.db2.gz XSHUFQSWSABCFQ-LBPRGKRZSA-N 1 0 378.416 2.644 20 0 GFADRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(S(C)(=O)=O)s2)CN(C(=O)OC(C)(C)C)C1 ZINC000843407039 661380119 /nfs/dbraw/zinc/38/01/19/661380119.db2.gz XSSSVMMRKHITKO-CHWSQXEVSA-N 1 0 388.555 2.887 20 0 GFADRO OC[C@@]1([C@@H]([NH2+]Cc2cc(Br)cnc2Cl)C2CC2)CCCO1 ZINC000843412974 661380580 /nfs/dbraw/zinc/38/05/80/661380580.db2.gz XZKZJNPQLOMKFP-DZGCQCFKSA-N 1 0 375.694 2.907 20 0 GFADRO CCCN(C(=O)C[C@](O)(c1nc(C)cs1)C(F)(F)F)[C@@H]1CC[N@H+](C)C1 ZINC000843992933 661399485 /nfs/dbraw/zinc/39/94/85/661399485.db2.gz UWEWAXSZNUQNKL-DOMZBBRYSA-N 1 0 379.448 2.534 20 0 GFADRO CCCN(C(=O)CCN1C(=S)N=NC1c1cccs1)[C@@H]1CC[N@H+](C)C1 ZINC000844145787 661407635 /nfs/dbraw/zinc/40/76/35/661407635.db2.gz FGNRMUIWVQENKA-CYBMUJFWSA-N 1 0 379.555 2.628 20 0 GFADRO COC(=O)CC[N@H+](CN1CC(c2ccc(Br)cc2)=CC1=O)C(C)C ZINC000844692973 661433802 /nfs/dbraw/zinc/43/38/02/661433802.db2.gz OTPQWVCFGCCEDQ-UHFFFAOYSA-N 1 0 395.297 2.906 20 0 GFADRO O=C1C=C(c2ccc(Br)cc2)CN1CN1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000844696799 661435172 /nfs/dbraw/zinc/43/51/72/661435172.db2.gz CZHODXHHLSOLAG-GOSISDBHSA-N 1 0 388.309 2.578 20 0 GFADRO C[C@]1(CCNC(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)C[C@]1(F)Cl ZINC000845064050 661455151 /nfs/dbraw/zinc/45/51/51/661455151.db2.gz MQEFINHZXAPOIY-MXSMSXNCSA-N 1 0 375.916 2.758 20 0 GFADRO C[NH+](C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(Cl)s1 ZINC000845176763 661458893 /nfs/dbraw/zinc/45/88/93/661458893.db2.gz DKLTXINQRYKKEY-LBPRGKRZSA-N 1 0 375.922 2.863 20 0 GFADRO C[C@@H]1[C@H](COC(=O)[C@H]2CC(=O)N(c3ccccc3Br)C2)CC[N@@H+]1C ZINC000845813739 661498157 /nfs/dbraw/zinc/49/81/57/661498157.db2.gz GQLLSBGSOOSTKH-RDBSUJKOSA-N 1 0 395.297 2.685 20 0 GFADRO Cc1cc(Br)sc1S(=O)(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000845891202 661504274 /nfs/dbraw/zinc/50/42/74/661504274.db2.gz PYEIREOOSSKGHV-MNOVXSKESA-N 1 0 381.361 2.970 20 0 GFADRO CC(C)(C)OC(=O)NCC1(CC[NH2+]Cc2ccc(S(C)(=O)=O)s2)CC1 ZINC000846052266 661527136 /nfs/dbraw/zinc/52/71/36/661527136.db2.gz DQRRDCQXOLIHKL-UHFFFAOYSA-N 1 0 388.555 2.936 20 0 GFADRO C[C@@]1(CC[NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)C[C@@]1(F)Cl ZINC000846069545 661529402 /nfs/dbraw/zinc/52/94/02/661529402.db2.gz FEHXVWNYQXVONU-OLZOCXBDSA-N 1 0 399.713 2.891 20 0 GFADRO C[NH+](C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC[C@@]1(C)CC1(Cl)Cl ZINC000846247240 661540517 /nfs/dbraw/zinc/54/05/17/661540517.db2.gz QFOIZPGDKYHCCI-WBMJQRKESA-N 1 0 396.359 2.922 20 0 GFADRO Cc1cc(Br)nc(NC(=O)N2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)c1 ZINC000846310309 661544672 /nfs/dbraw/zinc/54/46/72/661544672.db2.gz LIMFTWPIOYLSSL-IHRRRGAJSA-N 1 0 397.317 2.903 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)NCC[C@@]1(C)C[C@@]1(F)Cl ZINC000846722696 661562553 /nfs/dbraw/zinc/56/25/53/661562553.db2.gz UUYHQUCJGAYQMT-JLSDUUJJSA-N 1 0 375.916 2.578 20 0 GFADRO C[N@H+](CCCNC(=O)C(=O)NCC[C@]1(C)C[C@]1(F)Cl)C1CCCCC1 ZINC000846722135 661562619 /nfs/dbraw/zinc/56/26/19/661562619.db2.gz RRQLCCYWKPDBRK-QZTJIDSGSA-N 1 0 375.916 2.578 20 0 GFADRO C[NH+](C)CCN(Cc1ccccn1)C[C@H](O)c1ccccc1Br ZINC000846939598 661571605 /nfs/dbraw/zinc/57/16/05/661571605.db2.gz GGYLJIAPEXGLKO-SFHVURJKSA-N 1 0 378.314 2.941 20 0 GFADRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)c2cc(=O)c3cc(Br)ccc3o2)C1 ZINC000847181238 661580070 /nfs/dbraw/zinc/58/00/70/661580070.db2.gz XGFBNYAVIJKEPN-KLPPZKSPSA-N 1 0 379.254 2.626 20 0 GFADRO CN1CC[NH+](CC2(C)CCN(C(=O)c3nc(Cl)sc3Cl)CC2)CC1 ZINC000847727959 661607765 /nfs/dbraw/zinc/60/77/65/661607765.db2.gz YSPHUBGQXIMQMM-UHFFFAOYSA-N 1 0 391.368 2.940 20 0 GFADRO CO[C@@H](C(=O)Nc1cnn(C2CC[NH2+]CC2)c1)c1ccccc1Br ZINC000848419559 661646137 /nfs/dbraw/zinc/64/61/37/661646137.db2.gz XKDZJGUPSZPOHF-MRXNPFEDSA-N 1 0 393.285 2.896 20 0 GFADRO O=C(Cc1noc([C@@H]2C[C@@]23CCC[NH2+]C3)n1)Nc1ccccc1Br ZINC000848628727 661668800 /nfs/dbraw/zinc/66/88/00/661668800.db2.gz XXJMFPDMZQIBRI-APPDUMDISA-N 1 0 391.269 2.870 20 0 GFADRO Cc1cccc(NC(=[NH2+])NCCNS(=O)(=O)c2ccc(Cl)cc2C)c1 ZINC000849050911 661690404 /nfs/dbraw/zinc/69/04/04/661690404.db2.gz NYIZXCBTYXTEQN-UHFFFAOYSA-N 1 0 380.901 2.872 20 0 GFADRO C[C@H]1CCCN(C(=[NH2+])NCc2cc(C(F)(F)F)cc(S(C)(=O)=O)c2)C1 ZINC000849002422 661690628 /nfs/dbraw/zinc/69/06/28/661690628.db2.gz DFYBICGHYUWTKN-NSHDSACASA-N 1 0 377.432 2.865 20 0 GFADRO Cc1ccc(CNC(=[NH2+])NC[C@@H](O)COc2ccccc2Br)cc1 ZINC000849096243 661691362 /nfs/dbraw/zinc/69/13/62/661691362.db2.gz MMMMJBHREIYRNR-OAHLLOKOSA-N 1 0 392.297 2.811 20 0 GFADRO CS(=O)(=O)CC1(CNC(=[NH2+])Nc2ccccc2OC(F)(F)F)CCC1 ZINC000849117729 661693579 /nfs/dbraw/zinc/69/35/79/661693579.db2.gz SIXUGDNEDGKPHF-UHFFFAOYSA-N 1 0 379.404 2.736 20 0 GFADRO C[C@@H](CNS(=O)(=O)Cc1cc(F)ccc1Br)[NH+]1CCCCC1 ZINC000849371790 661710446 /nfs/dbraw/zinc/71/04/46/661710446.db2.gz VZSIIJGYVDDKPP-LBPRGKRZSA-N 1 0 393.322 2.882 20 0 GFADRO CC(C)[N@@H+]1CC[C@@H](C(=O)NCCSC(F)(F)F)[C@H](c2cnn(C)c2)C1 ZINC000849500659 661733905 /nfs/dbraw/zinc/73/39/05/661733905.db2.gz IJEHZADREOMUJA-KGLIPLIRSA-N 1 0 378.464 2.603 20 0 GFADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@H]2C(=O)Nc2cc(Br)ccc2F)cn1 ZINC000849509542 661734085 /nfs/dbraw/zinc/73/40/85/661734085.db2.gz ZEAXZJLVNNSSMW-KGLIPLIRSA-N 1 0 395.276 2.996 20 0 GFADRO CC(C)[N@@H+]1CC[C@H](C(=O)NC[C@]2(C)CC2(Cl)Cl)[C@@H](c2cnn(C)c2)C1 ZINC000849598880 661734766 /nfs/dbraw/zinc/73/47/66/661734766.db2.gz HZGXXPCDKXAYFP-UXLLHSPISA-N 1 0 387.355 2.934 20 0 GFADRO O=S(=O)(N1CCC(C[NH2+]Cc2ccc(F)c(F)c2F)CC1)C(F)(F)F ZINC000850134159 661765940 /nfs/dbraw/zinc/76/59/40/661765940.db2.gz YGDURLRCPNYTKO-UHFFFAOYSA-N 1 0 390.349 2.755 20 0 GFADRO O=C1OCCN1CCC[NH2+][C@H]1CCc2ccc(I)cc21 ZINC000850431965 661775882 /nfs/dbraw/zinc/77/58/82/661775882.db2.gz NYBVFUGVFLBTNP-AWEZNQCLSA-N 1 0 386.233 2.710 20 0 GFADRO C[C@H]([NH2+]CCC1(CS(C)(=O)=O)CC1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000850485795 661778343 /nfs/dbraw/zinc/77/83/43/661778343.db2.gz NOQMZFAYUJJCQN-LBPRGKRZSA-N 1 0 395.493 2.548 20 0 GFADRO C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]CC[S@@](=O)CC(F)(F)F ZINC000850490862 661778368 /nfs/dbraw/zinc/77/83/68/661778368.db2.gz IDFPMPLYGHJKQR-UOXLDJKESA-N 1 0 398.878 2.978 20 0 GFADRO C[C@H]([NH2+]CC1SCCS1)[C@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000850562134 661781655 /nfs/dbraw/zinc/78/16/55/661781655.db2.gz XMJASNWLECRRPL-GOEBONIOSA-N 1 0 382.551 2.808 20 0 GFADRO C[C@@H]1CCN(C(=O)Nc2cc3c(cc2Br)OCCO3)[C@H](C[NH3+])C1 ZINC000850722485 661788704 /nfs/dbraw/zinc/78/87/04/661788704.db2.gz IWYUYZDAXCHSIS-MNOVXSKESA-N 1 0 384.274 2.811 20 0 GFADRO C[N@@H+]1CC[C@H](CCOC(=O)[C@@H]2CCO[C@H]2c2cncc(Br)c2)C1 ZINC000851112540 661806772 /nfs/dbraw/zinc/80/67/72/661806772.db2.gz GKFAMLSFQIMWGG-WQVCFCJDSA-N 1 0 383.286 2.807 20 0 GFADRO [NH3+]C[C@H]1CCCc2ccc(C(=O)N3CCn4ncc(Br)c4C3)cc21 ZINC000851647650 661827834 /nfs/dbraw/zinc/82/78/34/661827834.db2.gz IUHLYTVPCZVAHG-CQSZACIVSA-N 1 0 389.297 2.680 20 0 GFADRO NC(=O)[C@@](O)(C[N@H+](Cc1cccc(Br)c1)C1CC1)c1ccccc1 ZINC000851717110 661828713 /nfs/dbraw/zinc/82/87/13/661828713.db2.gz OXNBDKNTEGCNHU-LJQANCHMSA-N 1 0 389.293 2.787 20 0 GFADRO CCOP(=O)(OCC)[C@@H](O)C[N@H+](C)[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000851711061 661828803 /nfs/dbraw/zinc/82/88/03/661828803.db2.gz VGKXDOUKWKOARR-CZUORRHYSA-N 1 0 393.442 2.667 20 0 GFADRO O[C@H](C[N@@H+]1CCC[C@H](N2CCOCC2)CC1)c1ccc(Br)cc1 ZINC000852009535 661849049 /nfs/dbraw/zinc/84/90/49/661849049.db2.gz MSGJBUCDZMQMBS-ZWKOTPCHSA-N 1 0 383.330 2.669 20 0 GFADRO O=C1CC[C@H](C[N@H+]2CC[C@H](Cc3cccc(I)c3)C2)O1 ZINC000852112258 661853064 /nfs/dbraw/zinc/85/30/64/661853064.db2.gz OPTWIPMBLHTQFJ-UKRRQHHQSA-N 1 0 385.245 2.861 20 0 GFADRO Cn1cc(CC[N@@H+]2CC[C@@]3(C)[C@@H](C2)C3(Br)Br)cn1 ZINC000852335080 661860728 /nfs/dbraw/zinc/86/07/28/661860728.db2.gz ABECKEXDGHZQAJ-NEPJUHHUSA-N 1 0 377.124 2.791 20 0 GFADRO Cn1cncc1CC[N@@H+]1CC[C@@]2(C)[C@@H](C1)C2(Br)Br ZINC000852334786 661860756 /nfs/dbraw/zinc/86/07/56/661860756.db2.gz AEBFJVYBNYZYNH-NEPJUHHUSA-N 1 0 377.124 2.791 20 0 GFADRO O=C(N1CCC[C@H]([C@@H]2CCCC[N@H+]2C[C@@H](O)C(F)(F)F)C1)C(F)(F)F ZINC000852472323 661865482 /nfs/dbraw/zinc/86/54/82/661865482.db2.gz BYUGTMFJGHJBER-SDDRHHMPSA-N 1 0 376.341 2.565 20 0 GFADRO Cn1cc(C[C@@H]2CCC[C@@H]2[NH2+]CCS(=O)(=O)c2ccc(Cl)cc2)cn1 ZINC000852562886 661867161 /nfs/dbraw/zinc/86/71/61/661867161.db2.gz LOZVVLQGKYNMPA-YJBOKZPZSA-N 1 0 381.929 2.848 20 0 GFADRO COC(=O)NC1CC[NH+](C[C@H](O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000852771985 661874202 /nfs/dbraw/zinc/87/42/02/661874202.db2.gz WJMGUVJGJMIOHK-LBPRGKRZSA-N 1 0 377.268 2.554 20 0 GFADRO CN(C(=O)C1=NO[C@@H](C[NH3+])C1)[C@H]1CCSc2ccc(Br)cc21 ZINC000852835438 661875563 /nfs/dbraw/zinc/87/55/63/661875563.db2.gz HTUIXXUONSSQMY-MFKMUULPSA-N 1 0 384.299 2.548 20 0 GFADRO [NH3+]C[C@H]1CC(C(=O)NCCCCSc2ccccc2Br)=NO1 ZINC000852837454 661875622 /nfs/dbraw/zinc/87/56/22/661875622.db2.gz JORFWCKMWPHMAQ-LLVKDONJSA-N 1 0 386.315 2.541 20 0 GFADRO O=C(C=C1CC[NH2+]CC1)Nc1nccn1Cc1ccc(Br)cc1 ZINC000852852761 661875862 /nfs/dbraw/zinc/87/58/62/661875862.db2.gz IFXDKVOLBDUSRS-UHFFFAOYSA-N 1 0 375.270 2.942 20 0 GFADRO CC(C)(C(=O)N1CCn2ncc(Br)c2C1)[C@H]([NH3+])c1ccccc1 ZINC000852868603 661875933 /nfs/dbraw/zinc/87/59/33/661875933.db2.gz SQMGCAKHTOJMJW-OAHLLOKOSA-N 1 0 377.286 2.714 20 0 GFADRO C[NH2+]Cc1ccccc1CNC(=O)[C@@]1(C)CC1(Br)Br ZINC000852895591 661876646 /nfs/dbraw/zinc/87/66/46/661876646.db2.gz FFCHUPUVBDLYNR-CYBMUJFWSA-N 1 0 390.119 2.918 20 0 GFADRO O[C@H](C[NH2+][C@@H]1C[C@@H](N2CCOCC2)C12CCC2)c1ccc(Br)cc1 ZINC000853114403 661882684 /nfs/dbraw/zinc/88/26/84/661882684.db2.gz MSKNYZSSLYWYOR-KZNAEPCWSA-N 1 0 395.341 2.716 20 0 GFADRO Cc1nn(Cc2ccccc2Cl)c(Cl)c1CN1CCOC2(C[NH2+]C2)C1 ZINC000853249838 661886064 /nfs/dbraw/zinc/88/60/64/661886064.db2.gz WMBRWEOQBYDJPA-UHFFFAOYSA-N 1 0 381.307 2.721 20 0 GFADRO CCCN1C[C@@H](c2noc(-c3sc4c(c3Br)C[NH2+]C4)n2)CC1=O ZINC000854162252 661917271 /nfs/dbraw/zinc/91/72/71/661917271.db2.gz ASKCGZOXBTXEAD-QMMMGPOBSA-N 1 0 397.298 2.890 20 0 GFADRO O=C([C@H](O)c1ccc(Cl)c(Cl)c1)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000854332027 661924779 /nfs/dbraw/zinc/92/47/79/661924779.db2.gz YFAHYPCGNJPVLQ-RHSMWYFYSA-N 1 0 387.307 2.740 20 0 GFADRO O=C([C@H](O)c1ccc(Cl)c(Cl)c1)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000854332029 661924843 /nfs/dbraw/zinc/92/48/43/661924843.db2.gz YFAHYPCGNJPVLQ-WMLDXEAASA-N 1 0 387.307 2.740 20 0 GFADRO O=C(/C=C/c1ccc(Br)o1)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000854333825 661924968 /nfs/dbraw/zinc/92/49/68/661924968.db2.gz VMPVKDXTOHMDNS-YVZNUBBCSA-N 1 0 383.286 2.769 20 0 GFADRO O=C(NCc1cnc(Br)s1)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000854355707 661928521 /nfs/dbraw/zinc/92/85/21/661928521.db2.gz PNCBFANXQQDEIS-NSHDSACASA-N 1 0 390.372 2.739 20 0 GFADRO C[NH+]1CCC2(CCN(C(=O)c3cn4c(Br)cnc4s3)C2)CC1 ZINC000854498084 661937396 /nfs/dbraw/zinc/93/73/96/661937396.db2.gz KGVFAOURRIKUPG-UHFFFAOYSA-N 1 0 383.315 2.716 20 0 GFADRO C[N@H+](Cc1ccccc1)C1(CNC(=O)c2cc(Br)n[nH]2)CCC1 ZINC000854818254 661955128 /nfs/dbraw/zinc/95/51/28/661955128.db2.gz JTBPSOQVDRWWAH-UHFFFAOYSA-N 1 0 377.286 2.957 20 0 GFADRO C[C@@]1(C(=O)NCC[N@@H+]2CCCC2(C)C)CC1(Br)Br ZINC000854893290 661959307 /nfs/dbraw/zinc/95/93/07/661959307.db2.gz HMHJXCGLCSXRNN-LBPRGKRZSA-N 1 0 382.140 2.873 20 0 GFADRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)[C@]2(C)CC2(Br)Br)C1 ZINC000854893303 661959339 /nfs/dbraw/zinc/95/93/39/661959339.db2.gz IDCCFAYIKROIOW-PWSUYJOCSA-N 1 0 382.140 2.824 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)c2csc(I)n2)C1 ZINC000855163067 661974353 /nfs/dbraw/zinc/97/43/53/661974353.db2.gz RYDAHCUHOORMGZ-VIFPVBQESA-N 1 0 393.294 2.598 20 0 GFADRO CCN(C(=O)c1nc(Br)ccc1Br)[C@H]1CC[N@H+](C)C1 ZINC000855361218 661988052 /nfs/dbraw/zinc/98/80/52/661988052.db2.gz TWDKOWIAMUZDNJ-VIFPVBQESA-N 1 0 391.107 2.773 20 0 GFADRO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)NCC[C@@H](C)[NH+](C)C ZINC000855415880 661991658 /nfs/dbraw/zinc/99/16/58/661991658.db2.gz QZXDDBOGOIPTOV-SNVBAGLBSA-N 1 0 381.270 2.934 20 0 GFADRO Cn1ncc(C(=O)N2CC[C@H]([N@H+](C)CCc3ccccc3)C2)c1Br ZINC000855735688 662005612 /nfs/dbraw/zinc/00/56/12/662005612.db2.gz VJJUKXCKLMZSGZ-HNNXBMFYSA-N 1 0 391.313 2.572 20 0 GFADRO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)c1c(Br)nc2n1CCCC2 ZINC000855902699 662011962 /nfs/dbraw/zinc/01/19/62/662011962.db2.gz KRXBXFFBUIDJQN-ZDUSSCGKSA-N 1 0 383.334 2.832 20 0 GFADRO O=C(c1cccc(C[NH+]2CCCC2)c1)N1CCn2ncc(Br)c2C1 ZINC000856009763 662014836 /nfs/dbraw/zinc/01/48/36/662014836.db2.gz OSVNVQMTSPVXGL-UHFFFAOYSA-N 1 0 389.297 2.897 20 0 GFADRO CCC[N@H+](C)CC(C)(C)NC(=O)c1ccc(CS(=O)(=O)C(F)F)cc1 ZINC000856282903 662027719 /nfs/dbraw/zinc/02/77/19/662027719.db2.gz IOHSULAFBLJCGQ-UHFFFAOYSA-N 1 0 376.469 2.674 20 0 GFADRO CS(=O)(=O)c1cc(C(=O)NCC2CC[NH+](CC3CC3)CC2)ccc1Cl ZINC000856413567 662032363 /nfs/dbraw/zinc/03/23/63/662032363.db2.gz LIVBTSDOLZGRMS-UHFFFAOYSA-N 1 0 384.929 2.595 20 0 GFADRO CC[N@H+](C)Cc1cc(O[C@H]2CCN(C(=O)c3csc(Cl)n3)C2)ccn1 ZINC000856629002 662037837 /nfs/dbraw/zinc/03/78/37/662037837.db2.gz GPKHODNXJJVMRX-AWEZNQCLSA-N 1 0 380.901 2.937 20 0 GFADRO Cn1cc(C[NH2+]CCCNC(=O)c2cccc(Br)c2)c(Cl)n1 ZINC000856768022 662043219 /nfs/dbraw/zinc/04/32/19/662043219.db2.gz MBSPSGADLFHOMN-UHFFFAOYSA-N 1 0 385.693 2.746 20 0 GFADRO Cn1nccc1[C@H](O)C1CC[NH+](C[C@@H](O)c2ccc(Br)cc2)CC1 ZINC000856801093 662044571 /nfs/dbraw/zinc/04/45/71/662044571.db2.gz JZVXDRHAQXCLLG-QZTJIDSGSA-N 1 0 394.313 2.662 20 0 GFADRO C[NH+](C)CCCOc1cnccc1CNC(=O)NCC[C@H]1CC1(Cl)Cl ZINC000856857672 662047978 /nfs/dbraw/zinc/04/79/78/662047978.db2.gz HUDXXGJVDHBEIU-AWEZNQCLSA-N 1 0 389.327 2.795 20 0 GFADRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)NCC[C@@H]2CC2(Cl)Cl)CC1 ZINC000856947992 662053793 /nfs/dbraw/zinc/05/37/93/662053793.db2.gz FDNALPPBBFDORM-OWCLPIDISA-N 1 0 391.387 2.770 20 0 GFADRO O=C(OC[C@@H]1CCC[N@@H+]1Cc1ccco1)c1cc(Br)c[nH]c1=O ZINC000857014445 662058382 /nfs/dbraw/zinc/05/83/82/662058382.db2.gz JLCVALJTYDIMHR-LBPRGKRZSA-N 1 0 381.226 2.964 20 0 GFADRO C[C@H]([NH3+])CCNC(=O)N(CCc1ccc(Cl)cc1)C[C@H](O)C(F)(F)F ZINC000857110757 662063720 /nfs/dbraw/zinc/06/37/20/662063720.db2.gz WCCZUIUZHRAGDK-FZMZJTMJSA-N 1 0 381.826 2.555 20 0 GFADRO C[C@H]([NH3+])CCNC(=O)N1CCN(c2ccc(C(F)(F)F)cc2Cl)CC1 ZINC000857108019 662063801 /nfs/dbraw/zinc/06/38/01/662063801.db2.gz LPSCUZZJRANPSZ-NSHDSACASA-N 1 0 378.826 2.928 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)CCN2C(=S)N=NC2c2cccs2)C1 ZINC000857302478 662072448 /nfs/dbraw/zinc/07/24/48/662072448.db2.gz SFVAGDOKVBEKHP-GFCCVEGCSA-N 1 0 379.555 2.674 20 0 GFADRO C[N@@H+]1CCCC[C@H]1CCC(=O)N1CC(O)(c2cccc(Br)c2)C1 ZINC000857419678 662079460 /nfs/dbraw/zinc/07/94/60/662079460.db2.gz UJGQVJWTWVDLCQ-INIZCTEOSA-N 1 0 381.314 2.743 20 0 GFADRO COCCOCCC(=O)N1C[C@@H]([NH+](C)C)CCc2cc(Br)ccc21 ZINC000857882434 662093606 /nfs/dbraw/zinc/09/36/06/662093606.db2.gz LBKFZXOYKUHXCB-INIZCTEOSA-N 1 0 399.329 2.712 20 0 GFADRO Nc1cc[nH+]c2c1CN(c1ccc(F)cc1S(=O)(=O)C(F)(F)F)CC2 ZINC000857900033 662094375 /nfs/dbraw/zinc/09/43/75/662094375.db2.gz WNFYNIYSPGGQCZ-UHFFFAOYSA-N 1 0 375.347 2.659 20 0 GFADRO O=C(NCC[NH2+][C@H]1CCc2ccc(Cl)nc21)c1ccc(Br)cn1 ZINC000857914367 662094566 /nfs/dbraw/zinc/09/45/66/662094566.db2.gz KFGFWXHAWFZGRQ-LBPRGKRZSA-N 1 0 395.688 2.899 20 0 GFADRO Cc1cc(C[NH2+]CC2CCN(S(C)(=O)=O)CC2)c(Br)cc1F ZINC000858117497 662099395 /nfs/dbraw/zinc/09/93/95/662099395.db2.gz QBKDNLMDOIJBRY-UHFFFAOYSA-N 1 0 393.322 2.658 20 0 GFADRO Brc1ccc(-c2n[nH]cc2CNC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)s1 ZINC000858127369 662099989 /nfs/dbraw/zinc/09/99/89/662099989.db2.gz ZBAGJPVQDMYHGU-CHWSQXEVSA-N 1 0 397.342 2.854 20 0 GFADRO Cn1cc(CNc2ccc(N3CCC([NH+](C)C)CC3)cn2)c(Br)n1 ZINC000858150997 662101647 /nfs/dbraw/zinc/10/16/47/662101647.db2.gz PKEKOWCWYITTNZ-UHFFFAOYSA-N 1 0 393.333 2.720 20 0 GFADRO Cc1cc(C[NH2+]CC(C)(C)[C@H]2COCC23OCCO3)ncc1Br ZINC000858178342 662103284 /nfs/dbraw/zinc/10/32/84/662103284.db2.gz VCGPFWSMMHHWMJ-OAHLLOKOSA-N 1 0 385.302 2.658 20 0 GFADRO Cc1cc(Br)cc(C[NH2+][C@@H]2CCN(c3ccc4nncn4n3)C2)c1 ZINC000858243546 662105904 /nfs/dbraw/zinc/10/59/04/662105904.db2.gz KKTMQWGYYVKSLJ-OAHLLOKOSA-N 1 0 387.285 2.564 20 0 GFADRO Cn1c(Cl)ncc1C[NH2+][C@@]1(CO)CCc2cc(Br)ccc2C1 ZINC000858241196 662105951 /nfs/dbraw/zinc/10/59/51/662105951.db2.gz YVITUGQETSFZFN-INIZCTEOSA-N 1 0 384.705 2.846 20 0 GFADRO CN(CCOCC[NH2+]Cc1c(Cl)nc(Cl)n1C)C(=O)OC(C)(C)C ZINC000858254706 662106412 /nfs/dbraw/zinc/10/64/12/662106412.db2.gz GSJMOIDDDXUBLD-UHFFFAOYSA-N 1 0 381.304 2.700 20 0 GFADRO CON(C)C(=O)[C@H](C)[NH2+]Cc1ccc(OC(F)(F)F)c(Br)c1 ZINC000858319388 662108157 /nfs/dbraw/zinc/10/81/57/662108157.db2.gz IPRDFMSAFIICBO-QMMMGPOBSA-N 1 0 385.180 2.846 20 0 GFADRO CN1CC[NH+](CCCCNC(=O)/C=C\c2csc(C(F)(F)F)c2)CC1 ZINC000858453260 662111753 /nfs/dbraw/zinc/11/17/53/662111753.db2.gz RJFPEZABDVUSLY-PLNGDYQASA-N 1 0 375.460 2.924 20 0 GFADRO CC1([NH+]2CCOCC2)CCN(C(=O)NCCC[C@H]2CC2(Cl)Cl)CC1 ZINC000858592334 662115744 /nfs/dbraw/zinc/11/57/44/662115744.db2.gz ZBSJJKCIBGRPIS-AWEZNQCLSA-N 1 0 378.344 2.857 20 0 GFADRO O=C(CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O)OCC[NH+]1CCCCC1 ZINC000858971510 662129909 /nfs/dbraw/zinc/12/99/09/662129909.db2.gz GCCBUPMASHWZPT-UHFFFAOYSA-N 1 0 385.247 2.619 20 0 GFADRO Cn1nc(CN2CCC[C@H]([N@H+](C)Cc3cc(Cl)n(C)n3)CC2)cc1Cl ZINC000859205175 662144695 /nfs/dbraw/zinc/14/46/95/662144695.db2.gz APVCNXYWRPNJGN-HNNXBMFYSA-N 1 0 385.343 2.947 20 0 GFADRO CC[C@H](C(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1)c1ccc(Br)cc1 ZINC000859360224 662156611 /nfs/dbraw/zinc/15/66/11/662156611.db2.gz BAKODUCVHUNEFH-QAPCUYQASA-N 1 0 396.373 2.942 20 0 GFADRO CSC[C@H](O)C[N@@H+]1CC[C@H](C(F)(F)F)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000859606456 662169403 /nfs/dbraw/zinc/16/94/03/662169403.db2.gz NPTOOJSIICZFQA-XQQFMLRXSA-N 1 0 386.480 2.735 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)c1cc(Br)cc(C=O)c1 ZINC000860312678 662196758 /nfs/dbraw/zinc/19/67/58/662196758.db2.gz MFPAXCWKWGUFAT-ZACQAIPSSA-N 1 0 395.297 2.585 20 0 GFADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)/C=C/c1csc(C(F)(F)F)c1 ZINC000860915907 662220545 /nfs/dbraw/zinc/22/05/45/662220545.db2.gz KTLGGCKXPLQTHH-OOPCZODUSA-N 1 0 375.460 2.922 20 0 GFADRO COc1ccc(Br)c(CC(=O)OC[C@@]2(C)C[C@H](OC)C[N@@H+]2C)c1 ZINC000861349239 662241639 /nfs/dbraw/zinc/24/16/39/662241639.db2.gz IVZAGDHFAXRUNF-WMLDXEAASA-N 1 0 386.286 2.653 20 0 GFADRO CO[C@@H]1C[N@H+](C)[C@](C)(COC(=O)c2c(C)nc3ccc(Br)cn32)C1 ZINC000861350756 662241828 /nfs/dbraw/zinc/24/18/28/662241828.db2.gz FPIJVPQPZYZMBM-GUYCJALGSA-N 1 0 396.285 2.671 20 0 GFADRO C[C@@H]([NH3+])CN(C)C(=O)NCCSCCOc1cccc(Br)c1 ZINC000861576270 662250079 /nfs/dbraw/zinc/25/00/79/662250079.db2.gz YNXZPJANIXPONW-GFCCVEGCSA-N 1 0 390.347 2.550 20 0 GFADRO C[C@@H]([NH3+])CN(C)C(=O)N[C@H](C)CCc1ccc(I)cc1 ZINC000861629830 662252305 /nfs/dbraw/zinc/25/23/05/662252305.db2.gz ZGFGULDOVXHBFA-VXGBXAGGSA-N 1 0 389.281 2.601 20 0 GFADRO O=C(N[C@@H]1CC[NH2+]C12CCC2)N1CCO[C@H](c2ccccc2Br)C1 ZINC000861662121 662254273 /nfs/dbraw/zinc/25/42/73/662254273.db2.gz NPAXJSMBPRCJLG-JKSUJKDBSA-N 1 0 394.313 2.817 20 0 GFADRO O=C([C@@H](O)c1cc(Cl)cc(Cl)c1)N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000861984394 662265630 /nfs/dbraw/zinc/26/56/30/662265630.db2.gz FISVDGWKMNYNIO-KRWDZBQOSA-N 1 0 387.307 2.740 20 0 GFADRO C[NH+]1CCC2(CC1)CN(C(=O)c1ccc(SC(F)(F)F)nc1)CCO2 ZINC000862114956 662269449 /nfs/dbraw/zinc/26/94/49/662269449.db2.gz RMEQSUMYBVTIBW-UHFFFAOYSA-N 1 0 375.416 2.630 20 0 GFADRO C[C@H]([NH2+][C@@H]1CC[C@@H]2SCCS[C@@H]12)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000862291991 662279299 /nfs/dbraw/zinc/27/92/99/662279299.db2.gz STYSMUHYYOHTSW-QRJUGERDSA-N 1 0 388.599 2.980 20 0 GFADRO Cc1cc(CN2CC[NH+]([C@H]3CCNC(=O)CC3)CC2)c(Br)cc1F ZINC000862388062 662284427 /nfs/dbraw/zinc/28/44/27/662284427.db2.gz WHLPXUNMMJDVBQ-OAHLLOKOSA-N 1 0 398.320 2.683 20 0 GFADRO CC(C)(Sc1ccc(Br)cc1)C(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000863322814 662320561 /nfs/dbraw/zinc/32/05/61/662320561.db2.gz QKJKYHVSPIGUFS-CYBMUJFWSA-N 1 0 387.343 2.503 20 0 GFADRO CC[NH2+][C@@H](C)c1nc(-c2cccn3c(I)cnc23)no1 ZINC000863672169 662343827 /nfs/dbraw/zinc/34/38/27/662343827.db2.gz FQXVLBPFZBVQCW-QMMMGPOBSA-N 1 0 383.193 2.659 20 0 GFADRO Cc1csc(SCc2ccccc2C(=O)NCC[N@@H+]2CC[C@H](O)C2)n1 ZINC000863829304 662348072 /nfs/dbraw/zinc/34/80/72/662348072.db2.gz GAYNJMHMMUJSHT-HNNXBMFYSA-N 1 0 377.535 2.540 20 0 GFADRO C[NH+](C)[C@@H]1C[C@@H](NC(=O)[C@@]2(C)CC2(Br)Br)C1(C)C ZINC000864064691 662353278 /nfs/dbraw/zinc/35/32/78/662353278.db2.gz ZJNAVKDRFGLSSG-KBVBSXBZSA-N 1 0 382.140 2.727 20 0 GFADRO CC(=O)N[C@@H](C(=O)NC1CC[NH+](C(C)C)CC1)c1cccc(Br)c1 ZINC000864596373 662380904 /nfs/dbraw/zinc/38/09/04/662380904.db2.gz NZROCOJCEBONEW-QGZVFWFLSA-N 1 0 396.329 2.615 20 0 GFADRO CC(=O)N[C@@H](C(=O)N1CCC[N@@H+](C(C)C)CC1)c1cccc(Br)c1 ZINC000865144633 662401097 /nfs/dbraw/zinc/40/10/97/662401097.db2.gz OKIFMIMQYYDKFB-QGZVFWFLSA-N 1 0 396.329 2.569 20 0 GFADRO CC[N@H+](CCNC(=O)c1cc(Br)ncc1Br)C1CC1 ZINC000865150737 662401373 /nfs/dbraw/zinc/40/13/73/662401373.db2.gz HCPQRJIVEOTZRY-UHFFFAOYSA-N 1 0 391.107 2.821 20 0 GFADRO CN1C(=O)N(C[C@H]2C[C@@H]([NH+](C)C)C2)C(=O)[C@@H]1c1ccc(Br)s1 ZINC000865311803 662412326 /nfs/dbraw/zinc/41/23/26/662412326.db2.gz KBHNLHODCHHOHQ-CWSCBRNRSA-N 1 0 386.315 2.786 20 0 GFADRO O=C(NCCC[NH2+]Cc1cn(C2CC2)cn1)c1ccc(Br)cc1 ZINC000865444393 662421944 /nfs/dbraw/zinc/42/19/44/662421944.db2.gz ORJSEMSHISNWLL-UHFFFAOYSA-N 1 0 377.286 2.890 20 0 GFADRO C[C@H](Cc1ccccc1Br)[NH2+]Cc1cn(C[C@H]2CCCO2)nn1 ZINC000865492218 662425005 /nfs/dbraw/zinc/42/50/05/662425005.db2.gz PYGMLYKQAJWKQE-CZUORRHYSA-N 1 0 379.302 2.940 20 0 GFADRO COc1ccc(C[C@](C)(O)C[NH2+]Cc2cccnc2Br)cc1OC ZINC000865574090 662430235 /nfs/dbraw/zinc/43/02/35/662430235.db2.gz PZKCQIWGQQXSMQ-SFHVURJKSA-N 1 0 395.297 2.945 20 0 GFADRO CCCn1cc(C[NH2+]C[C@H](CO)Cc2cccc(Br)c2C)nn1 ZINC000865594554 662431389 /nfs/dbraw/zinc/43/13/89/662431389.db2.gz XLYVOHFYABTJJA-CQSZACIVSA-N 1 0 381.318 2.700 20 0 GFADRO CC(C)(O)CN1CC[C@H]([NH2+]Cc2nc3ccc(Br)cc3s2)C1 ZINC000865660528 662434910 /nfs/dbraw/zinc/43/49/10/662434910.db2.gz UNOWDTPBPKOYFJ-LBPRGKRZSA-N 1 0 384.343 2.994 20 0 GFADRO CN(C(=O)[C@@H]1[C@@H]2Cc3ccc(Br)cc3[C@@H]21)[C@@H]1C[NH+]2CCC1CC2 ZINC000865712820 662437910 /nfs/dbraw/zinc/43/79/10/662437910.db2.gz HZGOFJBZDQXYLJ-ZJPYXAASSA-N 1 0 375.310 2.887 20 0 GFADRO Cn1ncc2cc(C[NH2+][C@@](C)(CO)Cc3ccc(Br)cc3)cnc21 ZINC000865715397 662438682 /nfs/dbraw/zinc/43/86/82/662438682.db2.gz RJPWDSISIFKFKS-GOSISDBHSA-N 1 0 389.297 2.814 20 0 GFADRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]Cc2ccnc(Cl)c2Cl)[C@@H](O)C1 ZINC000865747226 662440875 /nfs/dbraw/zinc/44/08/75/662440875.db2.gz MUNDZBQNXJGQEF-NEPJUHHUSA-N 1 0 376.284 2.848 20 0 GFADRO C[NH+]1CCC(N2CC[C@H](NC(=O)c3cc4c(ccnc4Cl)s3)C2)CC1 ZINC000865751328 662441227 /nfs/dbraw/zinc/44/12/27/662441227.db2.gz XXXSIAUMXFOPJU-LBPRGKRZSA-N 1 0 378.929 2.848 20 0 GFADRO CC(C)[C@@H]1C[C@H](C[NH2+]Cc2c(I)cnn2C)CCO1 ZINC000865869163 662448728 /nfs/dbraw/zinc/44/87/28/662448728.db2.gz YRQFAGQMUMADAO-RISCZKNCSA-N 1 0 377.270 2.566 20 0 GFADRO O[C@@H]1CC[N@@H+](C2CCN(c3nc(-c4ccc(Br)cc4)no3)CC2)C1 ZINC000865956816 662453513 /nfs/dbraw/zinc/45/35/13/662453513.db2.gz PECSUZNPMAYSKA-OAHLLOKOSA-N 1 0 393.285 2.535 20 0 GFADRO C[NH+]1CCC(O)(CNC(=O)c2ccc3ccc(Br)cc3c2)CC1 ZINC000866222558 662464953 /nfs/dbraw/zinc/46/49/53/662464953.db2.gz JPAPVVHOAMLUMF-UHFFFAOYSA-N 1 0 377.282 2.789 20 0 GFADRO Cc1ccc(Br)c(CS(=O)(=O)N[C@@H](C)[C@H]2CCC[NH2+]C2)c1 ZINC000866739218 662493376 /nfs/dbraw/zinc/49/33/76/662493376.db2.gz ZLDCZZKELBXKDD-STQMWFEESA-N 1 0 375.332 2.565 20 0 GFADRO O=S(=O)(c1cc(Cl)cnc1Cl)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000866776061 662497342 /nfs/dbraw/zinc/49/73/42/662497342.db2.gz SNBFMUQXRPXEQM-GFCCVEGCSA-N 1 0 378.325 2.789 20 0 GFADRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2ccc3onc(Cl)c3c2)CC[C@H]1C(F)(F)F ZINC000866779708 662497754 /nfs/dbraw/zinc/49/77/54/662497754.db2.gz SCGZBNVDQJDVGS-LDYMZIIASA-N 1 0 397.806 2.629 20 0 GFADRO C[C@@H](NS(=O)(=O)Cc1cc(Cl)ccc1Br)C1CC[NH2+]CC1 ZINC000866811353 662500966 /nfs/dbraw/zinc/50/09/66/662500966.db2.gz SFDLVBWGLOSPTO-SNVBAGLBSA-N 1 0 395.750 2.910 20 0 GFADRO COC(=O)c1c(Cl)cccc1S(=O)(=O)N1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866813936 662501316 /nfs/dbraw/zinc/50/13/16/662501316.db2.gz GUBLIVNGIRLAPQ-KRWDZBQOSA-N 1 0 388.917 2.512 20 0 GFADRO O=S(=O)(c1ccc2onc(Cl)c2c1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000866880144 662505904 /nfs/dbraw/zinc/50/59/04/662505904.db2.gz KVBRDERRRDYGSL-ZDUSSCGKSA-N 1 0 383.901 2.978 20 0 GFADRO C/C(=C/c1ccc(Br)o1)C(=O)NC(C)(C)CC[NH+]1CCN(C)CC1 ZINC000867480314 662553204 /nfs/dbraw/zinc/55/32/04/662553204.db2.gz BNYPZOMXYDQYRW-YPKPFQOOSA-N 1 0 398.345 2.978 20 0 GFADRO C[NH+]1CCC2(CCN(S(=O)(=O)c3ccc(Br)o3)CC2)CC1 ZINC000867618507 662563232 /nfs/dbraw/zinc/56/32/32/662563232.db2.gz HGGAQZGEVWONLQ-UHFFFAOYSA-N 1 0 377.304 2.539 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(S(=O)(=O)c3ccc(Cl)cc3Br)CC[C@H]21 ZINC000867806947 662577885 /nfs/dbraw/zinc/57/78/85/662577885.db2.gz IEBSZHSZCVHYEW-ZWNOBZJWSA-N 1 0 393.734 2.817 20 0 GFADRO C[N@@H+]1CC[C@H]2CN(S(=O)(=O)c3cccc(Br)c3Cl)CC[C@@H]21 ZINC000867809574 662578426 /nfs/dbraw/zinc/57/84/26/662578426.db2.gz SSKRACPTKDNIHY-JQWIXIFHSA-N 1 0 393.734 2.817 20 0 GFADRO CC(=O)N[C@H](C(=O)N1CCC[C@@H]([NH+](C)C)CC1)c1cccc(Br)c1 ZINC000867812940 662579538 /nfs/dbraw/zinc/57/95/38/662579538.db2.gz OHBVRDVGQHOJQY-SJORKVTESA-N 1 0 396.329 2.569 20 0 GFADRO [NH3+][C@H](C(=O)N1CCC(OC[C@@H]2CCCO2)CC1)c1cccc(Br)c1 ZINC000867942589 662588438 /nfs/dbraw/zinc/58/84/38/662588438.db2.gz CRIKLXKKGWPZPI-IRXDYDNUSA-N 1 0 397.313 2.636 20 0 GFADRO [NH3+]C[C@H](NC(=O)c1ccc(OC(F)(F)F)cc1Br)C(F)(F)F ZINC000867982863 662590475 /nfs/dbraw/zinc/59/04/75/662590475.db2.gz HGQKBJCEQSSURI-QMMMGPOBSA-N 1 0 395.097 2.967 20 0 GFADRO C[C@@H](NC(=O)c1nn(-c2ccc(F)cc2)cc1Br)C1CC[NH2+]CC1 ZINC000868001530 662590787 /nfs/dbraw/zinc/59/07/87/662590787.db2.gz HASSVJRLGZKIRF-LLVKDONJSA-N 1 0 395.276 2.892 20 0 GFADRO C/C(=C\c1ccc(Br)o1)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000868055108 662592767 /nfs/dbraw/zinc/59/27/67/662592767.db2.gz AIYUJYGEYYCUOY-ACCUITESSA-N 1 0 384.318 2.588 20 0 GFADRO COC(=O)c1cc(NC(=O)N2CCC[C@@H]3[NH2+]CC[C@H]32)ccc1Br ZINC000868143491 662595961 /nfs/dbraw/zinc/59/59/61/662595961.db2.gz SNYZKIUXXFFOLC-UONOGXRCSA-N 1 0 382.258 2.594 20 0 GFADRO COc1cc(NC(=O)N2CCC[C@H]3[NH2+]CC[C@H]32)cc(OC)c1Br ZINC000868143859 662596051 /nfs/dbraw/zinc/59/60/51/662596051.db2.gz YXFILHKNYQFIDQ-VXGBXAGGSA-N 1 0 384.274 2.825 20 0 GFADRO [NH3+]CC12CCC(CC1)N2C(=O)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000868291809 662600818 /nfs/dbraw/zinc/60/08/18/662600818.db2.gz VJEHRPBBBPFRSX-UHFFFAOYSA-N 1 0 375.778 2.780 20 0 GFADRO C[N@@H+]1CC[C@H]2CN(C(=O)NCc3cc(F)c(F)cc3Br)CC[C@@H]21 ZINC000868601267 662611577 /nfs/dbraw/zinc/61/15/77/662611577.db2.gz BUICBLVTKCUKKV-BONVTDFDSA-N 1 0 388.256 2.963 20 0 GFADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@H]2C(=O)Nc2cc(O)cc(Br)c2)cn1 ZINC000868730025 662616866 /nfs/dbraw/zinc/61/68/66/662616866.db2.gz GJOZAOHTBIUNNQ-CVEARBPZSA-N 1 0 393.285 2.562 20 0 GFADRO CC(=O)N[C@H](C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1)c1cccc(Br)c1 ZINC000869233731 662636725 /nfs/dbraw/zinc/63/67/25/662636725.db2.gz OYUBGKGJNODLNZ-HOTGVXAUSA-N 1 0 396.329 2.615 20 0 GFADRO C[C@@H](CC(=O)N[C@H]1CC[N@H+](CC(C)(C)O)C1)c1ccc(Br)cc1 ZINC000869780144 662661532 /nfs/dbraw/zinc/66/15/32/662661532.db2.gz PKQHFLZLKXYEMN-BBRMVZONSA-N 1 0 383.330 2.904 20 0 GFADRO COC(=O)C[C@@H](NC(=O)CCC12CC(C1)C[NH2+]2)c1ccc(Br)cc1 ZINC000870862174 662703811 /nfs/dbraw/zinc/70/38/11/662703811.db2.gz JUPBINKMWJJZNX-HBSPSFQMSA-N 1 0 395.297 2.702 20 0 GFADRO O=C(CCC12CC(C1)C[NH2+]2)N[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000870881297 662704604 /nfs/dbraw/zinc/70/46/04/662704604.db2.gz NBOMRKXRBDNDOD-NSWWBONSSA-N 1 0 378.314 2.676 20 0 GFADRO COC(=O)C(C)(C)[C@@H]1CCCN(C(=O)[C@@H]([NH3+])c2cccc(Br)c2)C1 ZINC000870911928 662707923 /nfs/dbraw/zinc/70/79/23/662707923.db2.gz UBASJNMYMKDFPW-HIFRSBDPSA-N 1 0 397.313 2.887 20 0 GFADRO [NH3+][C@H](C(=O)NCc1nnc(C2CC2)n1C1CC1)c1cccc(Br)c1 ZINC000870930293 662708749 /nfs/dbraw/zinc/70/87/49/662708749.db2.gz SUNDBMXHVYVPHC-HNNXBMFYSA-N 1 0 390.285 2.569 20 0 GFADRO O=C(c1ccc(OC(F)(F)F)cc1Br)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000870942941 662709814 /nfs/dbraw/zinc/70/98/14/662709814.db2.gz WAMYXZKKLONWRN-DTORHVGOSA-N 1 0 379.176 2.639 20 0 GFADRO Cn1c(-c2ccc(Br)s2)nnc1N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000871046217 662714259 /nfs/dbraw/zinc/71/42/59/662714259.db2.gz WBVKBQDZOFONQS-MNOVXSKESA-N 1 0 382.331 2.837 20 0 GFADRO CCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000871063882 662714590 /nfs/dbraw/zinc/71/45/90/662714590.db2.gz KOUOFCNAGNXUGB-RISCZKNCSA-N 1 0 379.306 2.586 20 0 GFADRO C[NH+]1CCC(CNC(=S)NNc2cccc(F)c2Br)CC1 ZINC000871686748 662731326 /nfs/dbraw/zinc/73/13/26/662731326.db2.gz FESLJXJXVQMKHZ-UHFFFAOYSA-N 1 0 375.311 2.721 20 0 GFADRO CC(=O)N[C@@H](c1nc(C2([NH3+])CCCC2)no1)c1cccc(Br)c1 ZINC000871787095 662733783 /nfs/dbraw/zinc/73/37/83/662733783.db2.gz QNOXJOWEUUMDGW-CYBMUJFWSA-N 1 0 379.258 2.786 20 0 GFADRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2ccc(F)c(C(F)F)c2)CC[C@@H]1C(F)(F)F ZINC000871805804 662734683 /nfs/dbraw/zinc/73/46/83/662734683.db2.gz QFCPBRDWPZFDLX-KCJUWKMLSA-N 1 0 390.349 2.911 20 0 GFADRO [NH3+]C[C@H]1CN(S(=O)(=O)c2csc(-c3ccccc3)n2)C[C@H]1C(F)(F)F ZINC000871812468 662735142 /nfs/dbraw/zinc/73/51/42/662735142.db2.gz ADJVTQQHEFTHHD-NWDGAFQWSA-N 1 0 391.440 2.568 20 0 GFADRO Cc1nn(C)c(Cl)c1S(=O)(=O)N1CCC[C@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000871822041 662735818 /nfs/dbraw/zinc/73/58/18/662735818.db2.gz AEVJPGMRZLRHAF-HIFRSBDPSA-N 1 0 388.965 2.690 20 0 GFADRO COC[C@@H](N[C@@H]1CCN(CC(F)(F)F)C1=O)c1cccc(Br)c1 ZINC000871924022 662742472 /nfs/dbraw/zinc/74/24/72/662742472.db2.gz ANCBCFDDMRXNLB-CHWSQXEVSA-N 1 0 395.219 2.889 20 0 GFADRO CNC(=O)c1ccc(C[NH2+]C[C@H](O)COc2cc(Cl)cc(Cl)c2)cc1 ZINC000871972247 662748020 /nfs/dbraw/zinc/74/80/20/662748020.db2.gz BOSYLHVJWOHFGJ-INIZCTEOSA-N 1 0 383.275 2.883 20 0 GFADRO CC(C)(O)C[C@@H](O)C[NH2+]CC1(c2cccc(Br)c2)CCOCC1 ZINC000871975671 662748232 /nfs/dbraw/zinc/74/82/32/662748232.db2.gz XRPNCUZSHZNZSD-MRXNPFEDSA-N 1 0 386.330 2.609 20 0 GFADRO COC(=O)[C@H](c1ccccc1Br)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000872148857 662756626 /nfs/dbraw/zinc/75/66/26/662756626.db2.gz IHQVYXJGNKWFMC-NDMJEZRESA-N 1 0 395.219 2.732 20 0 GFADRO O=S(=O)(Cc1noc(/C=C\[C@@H]2CCC[NH2+]C2)n1)Cc1ccc(Cl)cc1 ZINC000872183266 662757465 /nfs/dbraw/zinc/75/74/65/662757465.db2.gz DQKDCQXYCUYXFE-UJZCVKTISA-N 1 0 381.885 2.851 20 0 GFADRO [NH3+]C[C@]1(c2nc(C3(c4cccc(Br)c4)CC3)no2)CCCOC1 ZINC000872181299 662757595 /nfs/dbraw/zinc/75/75/95/662757595.db2.gz GSVJDRUYXFMYHF-MRXNPFEDSA-N 1 0 378.270 2.919 20 0 GFADRO Cn1nccc1[C@H]1C[C@@H]([NH2+]C[C@@H](O)c2ccc(Br)cc2)CCO1 ZINC000872209785 662758005 /nfs/dbraw/zinc/75/80/05/662758005.db2.gz UWIAFZVHUPHRKX-USXIJHARSA-N 1 0 380.286 2.726 20 0 GFADRO O=C(CC[NH2+]C[C@@H]1CC2(CO1)CCOCC2)Nc1ccc(Br)cc1 ZINC000872230672 662758440 /nfs/dbraw/zinc/75/84/40/662758440.db2.gz HGKJDUQDVOVUDT-INIZCTEOSA-N 1 0 397.313 2.953 20 0 GFADRO COC(=O)[C@]12C[C@H]1C[C@H]([NH2+]CCC(=O)Nc1cccc(Br)c1)C2 ZINC000872230200 662758448 /nfs/dbraw/zinc/75/84/48/662758448.db2.gz VPORUZCQQPTJEI-WHCBVINPSA-N 1 0 381.270 2.709 20 0 GFADRO C[C@@H](NS(=O)(=O)c1ccc(C[NH+](C)C)cc1)c1ccncc1Br ZINC000872632641 662781435 /nfs/dbraw/zinc/78/14/35/662781435.db2.gz CJCSEFCURRNOGA-GFCCVEGCSA-N 1 0 398.326 2.945 20 0 GFADRO COC(=O)c1nn(CN2CCC(C)([NH+]3CCCC3)CC2)c(C)c1Br ZINC000872645551 662782536 /nfs/dbraw/zinc/78/25/36/662782536.db2.gz RMZYECKJWSLJGR-UHFFFAOYSA-N 1 0 399.333 2.648 20 0 GFADRO CC(C)[C@H]1C[N@H+](Cn2ccc(=O)c3cccc(Br)c32)CCN1C ZINC000872736405 662787258 /nfs/dbraw/zinc/78/72/58/662787258.db2.gz RGDZPHHYRKQNCS-MRXNPFEDSA-N 1 0 378.314 2.994 20 0 GFADRO COC(=O)c1ccc(C[NH2+]CC(=O)Nc2cc(Br)ccc2C)n1C ZINC000873030406 662796867 /nfs/dbraw/zinc/79/68/67/662796867.db2.gz FSHDRJPCESDYFC-UHFFFAOYSA-N 1 0 394.269 2.611 20 0 GFADRO CCOc1cccc(F)c1C[NH2+]CC1CCN(S(=O)(=O)C(F)F)CC1 ZINC000873052171 662797671 /nfs/dbraw/zinc/79/76/71/662797671.db2.gz RYJFRPRGERPLKD-UHFFFAOYSA-N 1 0 380.432 2.578 20 0 GFADRO C[C@H](CO[C@@H]1CCOC1)[NH2+]Cc1cccc(F)c1I ZINC000873074653 662798785 /nfs/dbraw/zinc/79/87/85/662798785.db2.gz OAFVXTLAILVJOY-ZYHUDNBSSA-N 1 0 379.213 2.714 20 0 GFADRO COc1cc(Br)c(NC(=O)N[C@@]23CCC[C@@H]2[NH2+]CC3)cc1OC ZINC000873302218 662804981 /nfs/dbraw/zinc/80/49/81/662804981.db2.gz CFYGUOSLOJZKQS-GOEBONIOSA-N 1 0 384.274 2.872 20 0 GFADRO O=C(Nc1cccc(F)c1I)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000873314533 662805259 /nfs/dbraw/zinc/80/52/59/662805259.db2.gz NYICEBCIHIUOME-FZMZJTMJSA-N 1 0 389.212 2.836 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)N[C@@H](c2nccs2)C(F)(F)F)C[C@@H]1C(F)(F)F ZINC000873327283 662805585 /nfs/dbraw/zinc/80/55/85/662805585.db2.gz HLZLMDHRSORGHZ-CSMHCCOUSA-N 1 0 376.326 2.525 20 0 GFADRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2cc(Cl)cc(Cl)c2F)C1 ZINC000873695238 662811981 /nfs/dbraw/zinc/81/19/81/662811981.db2.gz INKQKJQIFCBTCT-JTQLQIEISA-N 1 0 376.259 2.918 20 0 GFADRO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)c1ccc(-n2cc(Br)cn2)cc1 ZINC000874845905 662838344 /nfs/dbraw/zinc/83/83/44/662838344.db2.gz YPHLDDKPXWUOLG-IAGOWNOFSA-N 1 0 389.297 2.944 20 0 GFADRO C[NH+](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ncc(C(F)(F)F)s1 ZINC000875592291 662848645 /nfs/dbraw/zinc/84/86/45/662848645.db2.gz UDQQVMQJCOFJRR-QMMMGPOBSA-N 1 0 382.408 2.555 20 0 GFADRO CC[C@@H](C)[C@@H](C[NH+]1CCC(n2nncc2I)CC1)OC ZINC000877631276 662880280 /nfs/dbraw/zinc/88/02/80/662880280.db2.gz OJXXRMZGCZXALW-DGCLKSJQSA-N 1 0 392.285 2.581 20 0 GFADRO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)NCc2ncc(Br)s2)C1 ZINC000876286223 662858936 /nfs/dbraw/zinc/85/89/36/662858936.db2.gz PTFKSAKAOJWSMS-GFCCVEGCSA-N 1 0 387.347 2.779 20 0 GFADRO COC(=O)C[C@H](NC(=O)/C=C/[C@H]1CCC[NH2+]C1)c1ccc(Br)cc1 ZINC000876597467 662863152 /nfs/dbraw/zinc/86/31/52/662863152.db2.gz ZEWYQSNJGLHKCE-XEUXXXKASA-N 1 0 395.297 2.725 20 0 GFADRO COC(=O)C[C@@H](NC(=O)[C@]12CCC[C@H]1[NH2+]CC2)c1ccc(Br)cc1 ZINC000876595741 662863183 /nfs/dbraw/zinc/86/31/83/662863183.db2.gz JSJYWRLMQIRWDL-RKVPGOIHSA-N 1 0 395.297 2.702 20 0 GFADRO COC(=O)[C@@H](NC(=O)c1sc(C2CC[NH2+]CC2)nc1C)c1cccs1 ZINC000876603901 662863279 /nfs/dbraw/zinc/86/32/79/662863279.db2.gz DQHSGJDCIYOHIL-ZDUSSCGKSA-N 1 0 379.507 2.624 20 0 GFADRO O=C(Nc1ccnn1Cc1cccc(Br)c1)[C@@H](F)[C@@H]1CC[NH2+]C1 ZINC000876603621 662863286 /nfs/dbraw/zinc/86/32/86/662863286.db2.gz YNFQZOBFECTRBG-DOMZBBRYSA-N 1 0 381.249 2.580 20 0 GFADRO COc1cccc(C[C@H]([NH3+])C(=O)NC[C@@H](O)c2cc(Cl)cc(Cl)c2)c1 ZINC000876670344 662864478 /nfs/dbraw/zinc/86/44/78/662864478.db2.gz BTRKRMDJYSGFMQ-DLBZAZTESA-N 1 0 383.275 2.722 20 0 GFADRO COc1cccc(C[C@@H]([NH3+])C(=O)NC[C@@H](O)c2cc(Cl)cc(Cl)c2)c1 ZINC000876670345 662864509 /nfs/dbraw/zinc/86/45/09/662864509.db2.gz BTRKRMDJYSGFMQ-IAGOWNOFSA-N 1 0 383.275 2.722 20 0 GFADRO COc1cccc(C[C@H]([NH3+])C(=O)NC[C@H](O)c2c(Cl)cccc2Cl)c1 ZINC000876677836 662864582 /nfs/dbraw/zinc/86/45/82/662864582.db2.gz WCBYFFXHQLXDAY-HOTGVXAUSA-N 1 0 383.275 2.722 20 0 GFADRO O=C(/C=C\[C@@H]1CCC[NH2+]C1)NC[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000876732610 662865464 /nfs/dbraw/zinc/86/54/64/662865464.db2.gz AWUKTMXOLLQIOS-FWVCVXLZSA-N 1 0 392.341 2.947 20 0 GFADRO C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000876735270 662865696 /nfs/dbraw/zinc/86/56/96/662865696.db2.gz CIRGOOMJOOZGSB-TVKXWXJJSA-N 1 0 392.341 2.803 20 0 GFADRO C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)[C@H](F)[C@H]2CC[NH2+]C2)CC1 ZINC000876772362 662866135 /nfs/dbraw/zinc/86/61/35/662866135.db2.gz BEPNBDDIAZRLHW-UKPHBRMFSA-N 1 0 398.320 2.602 20 0 GFADRO O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1cc2c(ccnc2Cl)s1 ZINC000876842001 662867226 /nfs/dbraw/zinc/86/72/26/662867226.db2.gz WPVYOKALMVPNCK-GFCCVEGCSA-N 1 0 392.834 2.516 20 0 GFADRO COC(=O)c1cc(NC(=O)CCC23CC(C2)C[NH2+]3)cc(Br)c1F ZINC000876909559 662867879 /nfs/dbraw/zinc/86/78/79/662867879.db2.gz BDFOFIDLIJRRNM-UHFFFAOYSA-N 1 0 385.233 2.846 20 0 GFADRO CC[NH+]1CCN([C@H](C)CNCc2nc(Cl)ccc2Br)CC1 ZINC000876930927 662868391 /nfs/dbraw/zinc/86/83/91/662868391.db2.gz HHDUCDFVAQNGOR-GFCCVEGCSA-N 1 0 375.742 2.613 20 0 GFADRO O=C([C@H](F)[C@H]1CC[NH2+]C1)N1CCc2[nH]c3ccc(Br)cc3c2C1 ZINC000876963518 662868710 /nfs/dbraw/zinc/86/87/10/662868710.db2.gz QLQOLXKIEYYREN-MGPLVRAMSA-N 1 0 380.261 2.763 20 0 GFADRO O=C(CCC12CC(C1)C[NH2+]2)N1CCOC[C@@H]1c1cccc(Br)c1 ZINC000876970031 662868857 /nfs/dbraw/zinc/86/88/57/662868857.db2.gz HGJYLUVBJXSSCK-CRPOECCBSA-N 1 0 379.298 2.881 20 0 GFADRO C[C@@H]1CN(C(=O)c2csc(C3CC[NH2+]CC3)n2)C[C@@H](CC(F)(F)F)O1 ZINC000876978471 662869075 /nfs/dbraw/zinc/86/90/75/662869075.db2.gz LDGSEQXJLFZVKQ-ZYHUDNBSSA-N 1 0 377.432 2.792 20 0 GFADRO C[C@H]([NH2+]Cc1ccc(S(N)(=O)=O)cc1)[C@H](O)c1c(Cl)cccc1Cl ZINC000877068332 662870667 /nfs/dbraw/zinc/87/06/67/662870667.db2.gz OXDOWZMOTHLTRL-QFYYESIMSA-N 1 0 389.304 2.853 20 0 GFADRO C[C@H]([NH2+]Cc1cnn2cc(Br)cnc12)[C@@H](O)c1cccc(F)c1 ZINC000877083307 662870897 /nfs/dbraw/zinc/87/08/97/662870897.db2.gz LHBAKHJFKCCMSJ-ZUZCIYMTSA-N 1 0 379.233 2.843 20 0 GFADRO C[C@]([NH3+])(C(=O)N[C@@H](C1CCC1)[C@H]1CCOC1)c1ccc(Br)cc1 ZINC000877231818 662872346 /nfs/dbraw/zinc/87/23/46/662872346.db2.gz UOBDBTQJBIAFOL-QANKJYHBSA-N 1 0 381.314 2.944 20 0 GFADRO O=C(c1ccn(-c2cccc(Br)c2)n1)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000877280276 662873117 /nfs/dbraw/zinc/87/31/17/662873117.db2.gz UZDXXGSXONHIDJ-GOEBONIOSA-N 1 0 375.270 2.601 20 0 GFADRO CCOc1c(Br)cc(C(=O)N2CCC[C@@H]3[NH2+]CC[C@@H]32)cc1OC ZINC000877288409 662873254 /nfs/dbraw/zinc/87/32/54/662873254.db2.gz OBIWIFSSHCDTHG-KBPBESRZSA-N 1 0 383.286 2.823 20 0 GFADRO CC(C)(C)n1ncc(C(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)c1Br ZINC000877355024 662874169 /nfs/dbraw/zinc/87/41/69/662874169.db2.gz FWAWDIGKIONEKC-PSASIEDQSA-N 1 0 397.239 2.610 20 0 GFADRO CN[C@H](C(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1)c1cccc(Cl)c1Cl ZINC000877357367 662874355 /nfs/dbraw/zinc/87/43/55/662874355.db2.gz SCNCVJUIDGBHRY-DVYJOKAKSA-N 1 0 384.229 2.850 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)COc2ccc(Br)cc2F)C[C@H]1C(F)(F)F ZINC000877365315 662874745 /nfs/dbraw/zinc/87/47/45/662874745.db2.gz DTQUDVRLVZCGLE-PSASIEDQSA-N 1 0 399.182 2.563 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)c2c(F)cc(Br)cc2F)C[C@@H]1C(F)(F)F ZINC000877367342 662874844 /nfs/dbraw/zinc/87/48/44/662874844.db2.gz LPYROPIKKQUASD-SVRRBLITSA-N 1 0 387.146 2.937 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)CSc2nc3ccccc3s2)C[C@@H]1C(F)(F)F ZINC000877368484 662874947 /nfs/dbraw/zinc/87/49/47/662874947.db2.gz UJOJTJWCBAWNNT-UWVGGRQHSA-N 1 0 375.441 2.984 20 0 GFADRO C[C@@H]1CN(C(=O)c2csc(C3CC[NH2+]CC3)n2)CC[C@H](C(F)(F)F)O1 ZINC000877382275 662875128 /nfs/dbraw/zinc/87/51/28/662875128.db2.gz IOQGXCHWNQAOMN-ZWNOBZJWSA-N 1 0 377.432 2.792 20 0 GFADRO COC(=O)c1ccc(C[N@@H+]2CC[C@@H](C(=O)N3CCCC3)C2)cc1Br ZINC000877530758 662878197 /nfs/dbraw/zinc/87/81/97/662878197.db2.gz WWYGKKGAOIISFW-CQSZACIVSA-N 1 0 395.297 2.680 20 0 GFADRO COC(=O)c1ccc(C[N@@H+]2CC[C@H](C(=O)N3CCCC3)C2)cc1Br ZINC000877530757 662878261 /nfs/dbraw/zinc/87/82/61/662878261.db2.gz WWYGKKGAOIISFW-AWEZNQCLSA-N 1 0 395.297 2.680 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+]CC[C@H](O)c2ccc(Cl)c(Cl)c2)cc1 ZINC000877529261 662878267 /nfs/dbraw/zinc/87/82/67/662878267.db2.gz XPUSZMADUYYIPJ-INIZCTEOSA-N 1 0 389.304 2.854 20 0 GFADRO CON(C)C(=O)[C@H](C)[NH2+][C@H]1CCN(C)[C@@H](c2ccc(Br)cc2)C1 ZINC000877659789 662881063 /nfs/dbraw/zinc/88/10/63/662881063.db2.gz CKQMILAJIADXIQ-VBNZEHGJSA-N 1 0 384.318 2.582 20 0 GFADRO COC(=O)C[C@](C)([NH2+]Cc1ncc(I)s1)C1CC1 ZINC000877705058 662882226 /nfs/dbraw/zinc/88/22/26/662882226.db2.gz QXFSIMIZCVKZOX-LBPRGKRZSA-N 1 0 380.251 2.569 20 0 GFADRO COc1ccc(Br)c(CN2CCC([NH+]3CCN(C)CC3)CC2)c1 ZINC000877747229 662882761 /nfs/dbraw/zinc/88/27/61/662882761.db2.gz CWLFZCHXTCMYLJ-UHFFFAOYSA-N 1 0 382.346 2.670 20 0 GFADRO Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1CN1C[C@H](CO)[C@H](CO)C1 ZINC000877765087 662883159 /nfs/dbraw/zinc/88/31/59/662883159.db2.gz XMFDNOMGCUYNKJ-GASCZTMLSA-N 1 0 384.307 2.579 20 0 GFADRO C[C@H](CCc1ccc(O)cc1)[NH2+]Cc1c(I)cnn1C ZINC000877776393 662883340 /nfs/dbraw/zinc/88/33/40/662883340.db2.gz IVDHFYDQPKHIIU-LLVKDONJSA-N 1 0 385.249 2.841 20 0 GFADRO C[C@H](C[NH2+]CCOC(F)(F)C(F)(F)F)c1ccc(S(C)(=O)=O)cc1 ZINC000877805635 662884537 /nfs/dbraw/zinc/88/45/37/662884537.db2.gz FORJQZBQINDOST-SNVBAGLBSA-N 1 0 375.359 2.955 20 0 GFADRO Brc1ccc(N2CC[NH+](C[C@H]3CCC4(CCOCC4)O3)CC2)nc1 ZINC000877930260 662886284 /nfs/dbraw/zinc/88/62/84/662886284.db2.gz BDPUFJSMVJTFKE-MRXNPFEDSA-N 1 0 396.329 2.694 20 0 GFADRO O[C@@H](C[N@H+]1C[C@H]2CN(c3ccccc3)C[C@H]2C1)c1cc(Br)no1 ZINC000877980042 662887428 /nfs/dbraw/zinc/88/74/28/662887428.db2.gz GRHNTBYBZLUWJQ-GUTXKFCHSA-N 1 0 378.270 2.539 20 0 GFADRO O=C(Nc1nc(C(F)(F)F)cs1)N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000878038884 662888815 /nfs/dbraw/zinc/88/88/15/662888815.db2.gz IFLRUJPVGNOIGO-LLVKDONJSA-N 1 0 378.420 2.927 20 0 GFADRO Cc1cccnc1NC(=O)C[NH2+]C(C)(C)COc1ncccc1Br ZINC000878336702 662894076 /nfs/dbraw/zinc/89/40/76/662894076.db2.gz NNTFWRKWEKFKGP-UHFFFAOYSA-N 1 0 393.285 2.933 20 0 GFADRO CC[C@@H]([NH2+]C[C@@H](O)c1cc(Br)no1)c1ccc2c(c1)OCCO2 ZINC000878356924 662894370 /nfs/dbraw/zinc/89/43/70/662894370.db2.gz YASMIKDYZBZHCL-VXGBXAGGSA-N 1 0 383.242 2.983 20 0 GFADRO OCC[N@@H+](Cc1ccc(Br)s1)C[C@@H](O)CC1(CO)CCCC1 ZINC000878507232 662897684 /nfs/dbraw/zinc/89/76/84/662897684.db2.gz SGOYPFNVOSALER-ZDUSSCGKSA-N 1 0 392.359 2.609 20 0 GFADRO CC(C)[N@H+](C[C@@H](O)COc1ccccc1)C[C@@H](O)c1cc(Br)no1 ZINC000878519092 662897947 /nfs/dbraw/zinc/89/79/47/662897947.db2.gz AMSLNEQMNNVDHS-UKRRQHHQSA-N 1 0 399.285 2.621 20 0 GFADRO CC(C)(CO)[C@@H]([NH2+]C[C@H](O)c1cc(Br)no1)c1cccs1 ZINC000878621394 662900596 /nfs/dbraw/zinc/90/05/96/662900596.db2.gz BDQWUFCUGNVHOU-ZANVPECISA-N 1 0 375.288 2.881 20 0 GFADRO O[C@H](C[NH2+]C1(Cc2ccc(F)cc2)CCOCC1)c1cc(Br)no1 ZINC000878649429 662901732 /nfs/dbraw/zinc/90/17/32/662901732.db2.gz BPJNFVZLCUDMAL-CQSZACIVSA-N 1 0 399.260 2.991 20 0 GFADRO C[C@H]([NH2+]C(C)(C)CNC(=O)Cc1c(Br)cnn1C)c1ccccc1 ZINC000878717133 662903440 /nfs/dbraw/zinc/90/34/40/662903440.db2.gz VJIDDZQZOMHLKC-ZDUSSCGKSA-N 1 0 393.329 2.971 20 0 GFADRO CCN1CCC([N@@H+]2CCCN(Cc3ncccc3Br)CC2)CC1 ZINC000878722718 662903708 /nfs/dbraw/zinc/90/37/08/662903708.db2.gz WMZZYBVRTJUMKK-UHFFFAOYSA-N 1 0 381.362 2.836 20 0 GFADRO CC[N@@H+]1CC[C@H]1CNC(=O)Nc1cc(C(=O)OC)c(F)cc1Br ZINC000878794352 662905669 /nfs/dbraw/zinc/90/56/69/662905669.db2.gz AVNHNAYFEXXPRQ-VIFPVBQESA-N 1 0 388.237 2.591 20 0 GFADRO O=C1O[C@H](C[N@H+]2CC[C@@H](Oc3cncc(Br)c3)C2)CC12CCC2 ZINC000878875870 662907976 /nfs/dbraw/zinc/90/79/76/662907976.db2.gz OBRWSSYCKWEREQ-HIFRSBDPSA-N 1 0 381.270 2.783 20 0 GFADRO CC(C)[NH+]1CCC(CCNC(=O)Nc2cc(Br)cn(C)c2=O)CC1 ZINC000878893702 662908859 /nfs/dbraw/zinc/90/88/59/662908859.db2.gz UMQMDUUVUHZMMK-UHFFFAOYSA-N 1 0 399.333 2.780 20 0 GFADRO C[C@@H]1CN(C(=O)Nc2ccc(Br)nc2)CCN1c1cc[nH+]cc1 ZINC000878961399 662911401 /nfs/dbraw/zinc/91/14/01/662911401.db2.gz XAUOSGDJRLUZCN-GFCCVEGCSA-N 1 0 376.258 2.982 20 0 GFADRO Cc1ccc(NC(=O)N2CCC[C@H]([NH2+]C3CCOCC3)C2)c(Br)n1 ZINC000878979169 662912105 /nfs/dbraw/zinc/91/21/05/662912105.db2.gz OSUCPGPJQQOQCB-AWEZNQCLSA-N 1 0 397.317 2.917 20 0 GFADRO Cc1ccc(NC(=O)N(C)CC[NH+]2CC3(C2)CCOCC3)c(Br)n1 ZINC000878979513 662912140 /nfs/dbraw/zinc/91/21/40/662912140.db2.gz SDUPKHPJOMUUFP-UHFFFAOYSA-N 1 0 397.317 2.729 20 0 GFADRO CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)Nc2cc(F)c(Br)cc2F)C1 ZINC000879021466 662913588 /nfs/dbraw/zinc/91/35/88/662913588.db2.gz UDFXDNBLJINJND-VIFPVBQESA-N 1 0 392.244 2.694 20 0 GFADRO O=C(Nc1cncc(Br)c1)N1CCC([NH2+]C2CCOCC2)CC1 ZINC000879031090 662913921 /nfs/dbraw/zinc/91/39/21/662913921.db2.gz MDJDGOBWPFXXPA-UHFFFAOYSA-N 1 0 383.290 2.609 20 0 GFADRO Cn1ncc(Br)c1CC(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000879058037 662915095 /nfs/dbraw/zinc/91/50/95/662915095.db2.gz HCLLXHXMIPIFAA-OAHLLOKOSA-N 1 0 399.720 2.798 20 0 GFADRO CC(C)([NH2+]Cc1cc(=O)n2cc(Br)ccc2n1)[C@H]1CCCCO1 ZINC000879407277 662925561 /nfs/dbraw/zinc/92/55/61/662925561.db2.gz NHQXLOFQGMHWTL-CQSZACIVSA-N 1 0 380.286 2.894 20 0 GFADRO O=c1cc(C[N@@H+]2CC[C@H]3CSC[C@H]3C2)nc2ccc(Br)cn12 ZINC000879561830 662929594 /nfs/dbraw/zinc/92/95/94/662929594.db2.gz VOHOHAVOFPOKQP-NWDGAFQWSA-N 1 0 380.311 2.642 20 0 GFADRO Cn1cc(NC(=O)N2CC[C@@H]([N@H+](C)Cc3ccccc3)C2)c(Br)n1 ZINC000880053549 662947941 /nfs/dbraw/zinc/94/79/41/662947941.db2.gz VOINCKDIZKPLNN-CQSZACIVSA-N 1 0 392.301 2.921 20 0 GFADRO Cn1cc(NC(=O)NC[C@@H]2CC[N@@H+]2Cc2ccccc2)c(Br)n1 ZINC000880064313 662949580 /nfs/dbraw/zinc/94/95/80/662949580.db2.gz MLTMYYSEOUWSLH-ZDUSSCGKSA-N 1 0 378.274 2.579 20 0 GFADRO CNC(=O)c1ccc(C[NH2+][C@@]2(c3ccc(Br)cc3)C[C@@H](O)C2)cc1 ZINC000880218817 662955035 /nfs/dbraw/zinc/95/50/35/662955035.db2.gz RCJCMYCOXLORSY-IZAXUBKRSA-N 1 0 389.293 2.949 20 0 GFADRO O[C@H](COc1cc(Cl)cc(Cl)c1)C[N@@H+]1C[C@@H](O)CC2(CCOCC2)C1 ZINC000880580093 662963074 /nfs/dbraw/zinc/96/30/74/662963074.db2.gz ZCYMYHBMKAXJQF-HOTGVXAUSA-N 1 0 390.307 2.597 20 0 GFADRO COc1cc(Br)ccc1NC(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000880630809 662965576 /nfs/dbraw/zinc/96/55/76/662965576.db2.gz KBLOSGSMOGIGCN-LSDHHAIUSA-N 1 0 398.301 2.521 20 0 GFADRO CC(C)(C)c1ccc(Br)cc1NC(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000881253795 662986159 /nfs/dbraw/zinc/98/61/59/662986159.db2.gz IIJVTAKBBHEDHR-CYBMUJFWSA-N 1 0 384.318 2.935 20 0 GFADRO CC[NH+](CC)C[C@H](C)NC(=O)Nc1cc(Br)cc2c1NC(=O)CO2 ZINC000881270348 662986963 /nfs/dbraw/zinc/98/69/63/662986963.db2.gz RXBKIBJQPRMCAZ-JTQLQIEISA-N 1 0 399.289 2.632 20 0 GFADRO O=C(c1cc(Br)ccc1O)N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000881468616 662995233 /nfs/dbraw/zinc/99/52/33/662995233.db2.gz FHHPHJPIGYWJKT-CQSZACIVSA-N 1 0 383.286 2.528 20 0 GFADRO O=C(c1ccc(F)c(Br)c1)N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000881471800 662995265 /nfs/dbraw/zinc/99/52/65/662995265.db2.gz BMRLJJFBFSRUSF-CQSZACIVSA-N 1 0 385.277 2.961 20 0 GFADRO O=C(Cc1cscc1Br)N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000881477351 662995474 /nfs/dbraw/zinc/99/54/74/662995474.db2.gz URFQZMSDIAFUOS-AWEZNQCLSA-N 1 0 387.343 2.813 20 0 GFADRO CC[NH+](CC)[C@H]1CCN(S(=O)(=O)c2cnc(Cl)cc2C(F)(F)F)C1 ZINC000881953063 663010847 /nfs/dbraw/zinc/01/08/47/663010847.db2.gz LXJQKGSSCHFDDI-JTQLQIEISA-N 1 0 385.839 2.859 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@@H](Nc2cnn(CC(F)(F)F)c(=O)c2Br)C1 ZINC000882057138 663015334 /nfs/dbraw/zinc/01/53/34/663015334.db2.gz OTHHEIYMFRDYTC-NXEZZACHSA-N 1 0 397.239 2.853 20 0 GFADRO CC1([NH+]2CCC2)CCN(S(=O)(=O)Cc2ccc(Br)cc2)CC1 ZINC000882768452 663041138 /nfs/dbraw/zinc/04/11/38/663041138.db2.gz FKZDKZWTQHLBGU-UHFFFAOYSA-N 1 0 387.343 2.839 20 0 GFADRO COC[C@H]([NH2+]CCCNC(=O)c1ccc(Br)cc1)[C@H]1CCCOC1 ZINC000883183498 663050859 /nfs/dbraw/zinc/05/08/59/663050859.db2.gz CONMZCLTJQSNHR-RDJZCZTQSA-N 1 0 399.329 2.600 20 0 GFADRO COC[C@@H]([NH2+]Cc1cn(-c2ccccc2Br)nn1)[C@@H]1CCCOC1 ZINC000883202291 663051323 /nfs/dbraw/zinc/05/13/23/663051323.db2.gz XLIPGOVHJMMSHR-CZUORRHYSA-N 1 0 395.301 2.561 20 0 GFADRO COc1ncc([C@H](C)[NH2+]CC2(S(=O)(=O)NC(C)(C)C)CC2)cc1Cl ZINC000883300647 663053018 /nfs/dbraw/zinc/05/30/18/663053018.db2.gz DCKCRHAQWGVSQG-NSHDSACASA-N 1 0 375.922 2.645 20 0 GFADRO C[C@H]([NH2+]CC1(S(=O)(=O)NC(C)(C)C)CC1)c1ccc(Br)cn1 ZINC000883301023 663053104 /nfs/dbraw/zinc/05/31/04/663053104.db2.gz OBBNEYCACGJCOX-NSHDSACASA-N 1 0 390.347 2.745 20 0 GFADRO C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+]C[C@@H](O)C(F)(F)C(F)(F)F ZINC000883358739 663053846 /nfs/dbraw/zinc/05/38/46/663053846.db2.gz PWJZFUSDOGJFJV-VXNVDRBHSA-N 1 0 375.725 2.600 20 0 GFADRO [NH3+]CCN(Cc1nc(-c2cccc(Br)c2)no1)CC(F)(F)F ZINC000883445270 663055404 /nfs/dbraw/zinc/05/54/04/663055404.db2.gz QNZBYNONUBWPFQ-UHFFFAOYSA-N 1 0 379.180 2.822 20 0 GFADRO [NH3+]Cc1nc2c(s1)CCN(S(=O)(=O)c1ccc(Cl)c(F)c1Cl)C2 ZINC000883480495 663055887 /nfs/dbraw/zinc/05/58/87/663055887.db2.gz FAOZXCSRSSGRQY-UHFFFAOYSA-N 1 0 396.296 2.795 20 0 GFADRO COC(=O)c1cc(NC(=O)N2CCc3sc(C[NH3+])nc3C2)ccc1Cl ZINC000883528648 663056722 /nfs/dbraw/zinc/05/67/22/663056722.db2.gz CVKWVADEOCEZCZ-UHFFFAOYSA-N 1 0 380.857 2.632 20 0 GFADRO CN1CC[NH+](CCCCNC(=O)NCCc2ccc(Cl)c(Cl)c2)CC1 ZINC000884054484 663064178 /nfs/dbraw/zinc/06/41/78/663064178.db2.gz HAHNJHQALLONQG-UHFFFAOYSA-N 1 0 387.355 2.863 20 0 GFADRO COc1cc(NC(=O)c2ccnc(N3CC[NH2+]CC3)c2)ccc1Br ZINC000884082347 663064664 /nfs/dbraw/zinc/06/46/64/663064664.db2.gz CRQKMKBVXDFOCZ-UHFFFAOYSA-N 1 0 391.269 2.515 20 0 GFADRO COc1ccc(CCNC(=O)[C@@H]([NH3+])c2ccc(Br)cc2)c(OC)c1 ZINC000884101264 663065096 /nfs/dbraw/zinc/06/50/96/663065096.db2.gz SLTIKHYURHSZPD-KRWDZBQOSA-N 1 0 393.281 2.825 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CNC(=O)C(C)(C)[C@H]([NH3+])C(C)C ZINC000884115151 663065392 /nfs/dbraw/zinc/06/53/92/663065392.db2.gz KEOBSFWLDILGJW-OAHLLOKOSA-N 1 0 384.318 2.822 20 0 GFADRO COCC[C@H]([NH3+])C(=O)Nc1ccc(Cl)c(C(=O)NCc2cccs2)c1 ZINC000884167830 663066427 /nfs/dbraw/zinc/06/64/27/663066427.db2.gz PJWZHZFJTYQHON-HNNXBMFYSA-N 1 0 381.885 2.634 20 0 GFADRO O=C(N[C@H]1CC12CC[NH2+]CC2)c1ccc(OC(F)F)c(Br)c1 ZINC000884292456 663068333 /nfs/dbraw/zinc/06/83/33/663068333.db2.gz AIVRCIPTDWGHAH-LBPRGKRZSA-N 1 0 375.213 2.922 20 0 GFADRO CC1(C)[C@H]([NH3+])C[C@@H]1NC(=O)c1cc(Br)nn1-c1ncccc1Cl ZINC000884366184 663069570 /nfs/dbraw/zinc/06/95/70/663069570.db2.gz VLNBWIDCWNBQBP-MNOVXSKESA-N 1 0 398.692 2.539 20 0 GFADRO [NH3+][C@H](C(=O)N1CCSC2(CCOCC2)C1)c1ccc(Br)cc1 ZINC000884379964 663069884 /nfs/dbraw/zinc/06/98/84/663069884.db2.gz PAWWPGIHLJPJBW-AWEZNQCLSA-N 1 0 385.327 2.574 20 0 GFADRO C[C@]12CCN(C(=O)[C@H]3C[NH2+]CC3(C)C)C[C@H]1C2(Br)Br ZINC000884399631 663070185 /nfs/dbraw/zinc/07/01/85/663070185.db2.gz JSDKNBSHTDKZEO-BREBYQMCSA-N 1 0 394.151 2.587 20 0 GFADRO CCC1([NH3+])CCN(C(=O)C(=O)N[C@@H](C)Cc2ccc(Cl)cc2Cl)CC1 ZINC000884543502 663072334 /nfs/dbraw/zinc/07/23/34/663072334.db2.gz GNCUGWZEMQZGTF-LBPRGKRZSA-N 1 0 386.323 2.771 20 0 GFADRO O=C(C1C[NH+](C2CCOCC2)C1)N1CCc2cc(Br)c(F)cc2C1 ZINC000884925153 663078551 /nfs/dbraw/zinc/07/85/51/663078551.db2.gz QACTURRIRWRKHS-UHFFFAOYSA-N 1 0 397.288 2.584 20 0 GFADRO Cc1cc(Br)sc1S(=O)(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000884959821 663079808 /nfs/dbraw/zinc/07/98/08/663079808.db2.gz ODHXQQFXZLSTBQ-QWRGUYRKSA-N 1 0 379.345 2.724 20 0 GFADRO C[NH+]1CCC(C(=O)N2CCC[C@@](O)(c3ccc(Br)cc3)C2)CC1 ZINC000884968165 663080567 /nfs/dbraw/zinc/08/05/67/663080567.db2.gz KVFFWONRFZOROF-SFHVURJKSA-N 1 0 381.314 2.601 20 0 GFADRO O=C(NC[C@H]1CC[N@@H+]1C1CCOCC1)c1cc2cc(Br)ccc2[nH]1 ZINC000885860713 663099372 /nfs/dbraw/zinc/09/93/72/663099372.db2.gz LQYGDQVKIMEQSB-OAHLLOKOSA-N 1 0 392.297 2.914 20 0 GFADRO O=C(NC[C@@H]1CC[N@@H+]1C1CCOCC1)c1cc(Cl)nc(C(F)(F)F)c1 ZINC000885876039 663100029 /nfs/dbraw/zinc/10/00/29/663100029.db2.gz NFGDVZJKOWTCTL-LBPRGKRZSA-N 1 0 377.794 2.737 20 0 GFADRO OC[C@H](C[NH2+][C@@H]1CCOC2(CCOCC2)C1)Cc1ccc(Br)cc1 ZINC000886092305 663103072 /nfs/dbraw/zinc/10/30/72/663103072.db2.gz TUUCMRHCZQBOEX-FUHWJXTLSA-N 1 0 398.341 2.918 20 0 GFADRO OC[C@H](C[C@H]1CCCO1)[NH2+]Cc1c[nH]nc1-c1ccc(Br)s1 ZINC000886220497 663105146 /nfs/dbraw/zinc/10/51/46/663105146.db2.gz JFDAVAWQARPPEJ-NWDGAFQWSA-N 1 0 386.315 2.920 20 0 GFADRO COc1ccc(C[NH2+]C[C@H](O)Cc2ccc(F)cc2)c(Br)c1O ZINC000886238604 663105682 /nfs/dbraw/zinc/10/56/82/663105682.db2.gz DFELNKXKGILDNR-CQSZACIVSA-N 1 0 384.245 2.996 20 0 GFADRO O[C@@H]1CC[C@H]([NH2+]Cc2cc(Cl)ccc2I)CC[C@@H]1O ZINC000886262176 663106496 /nfs/dbraw/zinc/10/64/96/663106496.db2.gz LYYFQDXMNPXORH-UBSAEIQESA-N 1 0 395.668 2.699 20 0 GFADRO Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+]CC1(S(=O)(=O)N(C)C)CC1 ZINC000886735173 663116397 /nfs/dbraw/zinc/11/63/97/663116397.db2.gz YPUBWPBQQRAXPU-LBPRGKRZSA-N 1 0 380.539 2.588 20 0 GFADRO OCCOCC1(O)CC[NH+]([C@@H]2CCCc3ccc(Br)cc32)CC1 ZINC000886747179 663117054 /nfs/dbraw/zinc/11/70/54/663117054.db2.gz NBFMJLXUVMCGMD-QGZVFWFLSA-N 1 0 384.314 2.662 20 0 GFADRO COc1ccc(Cl)cc1NC(=O)CC[N@@H+]1CC[C@](CO)(C(F)(F)F)C1 ZINC000886795627 663118952 /nfs/dbraw/zinc/11/89/52/663118952.db2.gz YCORPLSKRQZHRD-HNNXBMFYSA-N 1 0 380.794 2.924 20 0 GFADRO O[C@H](COc1cc(F)cc(Br)c1)C[N@@H+]1CC[C@H]([C@H]2CCCO2)C1 ZINC000886822391 663120541 /nfs/dbraw/zinc/12/05/41/663120541.db2.gz PYUIQHNQGCSRTO-YLQAJVPDSA-N 1 0 388.277 2.829 20 0 GFADRO Cc1cc(Br)ccc1CS(=O)(=O)NCc1ccc(C[NH3+])cc1 ZINC000886887715 663123439 /nfs/dbraw/zinc/12/34/39/663123439.db2.gz DENBBDAACGYMIT-UHFFFAOYSA-N 1 0 383.311 2.836 20 0 GFADRO Cc1nc(S(=O)(=O)NC[C@@H]2C[NH2+]CCC2(F)F)c(-c2ccccc2)s1 ZINC000886899372 663124215 /nfs/dbraw/zinc/12/42/15/663124215.db2.gz IWBGGRYTTYMMKG-ZDUSSCGKSA-N 1 0 387.477 2.642 20 0 GFADRO COC[C@@H]([NH2+]CC(=O)N(C)Cc1ccc(Cl)c(Cl)c1)[C@@H]1CCCOC1 ZINC000886903625 663124308 /nfs/dbraw/zinc/12/43/08/663124308.db2.gz CVKDFRMNPLANCW-RHSMWYFYSA-N 1 0 389.323 2.983 20 0 GFADRO COC[C@H]([NH2+]CC(=O)Nc1nc(-c2cccs2)cs1)[C@H]1CCCOC1 ZINC000886913357 663124774 /nfs/dbraw/zinc/12/47/74/663124774.db2.gz AMXVTBYZQUDXHS-STQMWFEESA-N 1 0 381.523 2.841 20 0 GFADRO COc1ccc(Br)c(NC(=O)NC[C@H]2C[NH2+]CCC2(F)F)c1 ZINC000886932763 663125090 /nfs/dbraw/zinc/12/50/90/663125090.db2.gz NUNPBRQESBSGRE-SECBINFHSA-N 1 0 378.217 2.824 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)Nc2cc(Br)c3ccccc3c2)C1 ZINC000886984089 663127367 /nfs/dbraw/zinc/12/73/67/663127367.db2.gz QOGNVJRCWVMBCX-DGCLKSJQSA-N 1 0 390.281 2.737 20 0 GFADRO C[C@H]1C[C@@H](NC(=O)C(=O)Nc2cc(Br)c3ccccc3c2)CC[NH2+]1 ZINC000886984138 663127390 /nfs/dbraw/zinc/12/73/90/663127390.db2.gz RPQOZUWIUWPPFW-AAEUAGOBSA-N 1 0 390.281 2.798 20 0 GFADRO O=C1C[C@H]([N@@H+]2CC[C@@H]([C@H]3CCCO3)C2)C(=O)N1c1ccc(Br)cc1 ZINC000887306723 663141329 /nfs/dbraw/zinc/14/13/29/663141329.db2.gz ZWUDMYKKJABKOZ-UHOFOFEASA-N 1 0 393.281 2.582 20 0 GFADRO Cc1sc(C[C@@H](C)n2cc(Cl)cn2)nc1-c1cn([C@@H]2CC[NH2+]C2)nn1 ZINC000887446723 663146788 /nfs/dbraw/zinc/14/67/88/663146788.db2.gz IWBREEQCNDSFQY-ZWNOBZJWSA-N 1 0 377.905 2.898 20 0 GFADRO C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)Nc1ccc(Br)nc1 ZINC000887901633 663168291 /nfs/dbraw/zinc/16/82/91/663168291.db2.gz ICACCWRAWSAUIK-GFCCVEGCSA-N 1 0 376.258 2.982 20 0 GFADRO Cn1cc(C(=O)Nc2ccc(OCCC[NH+](C)C)cc2)c(Br)n1 ZINC000888850959 663219718 /nfs/dbraw/zinc/21/97/18/663219718.db2.gz PSVHQQUYARMMFU-UHFFFAOYSA-N 1 0 381.274 2.765 20 0 GFADRO CS[C@H]1CN(C(=O)Nc2c(Cl)n(C)nc2C(F)(F)F)C[C@@H]1[NH+](C)C ZINC000889199409 663235522 /nfs/dbraw/zinc/23/55/22/663235522.db2.gz CZPQQIKLQZQCQP-YUMQZZPRSA-N 1 0 385.843 2.602 20 0 GFADRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1cn(C)nc1Br ZINC000889362475 663242350 /nfs/dbraw/zinc/24/23/50/663242350.db2.gz LCVNEKFMKLRVGF-XJKSGUPXSA-N 1 0 391.313 2.823 20 0 GFADRO CSc1cc(C(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)ccc1Br ZINC000889744391 663262312 /nfs/dbraw/zinc/26/23/12/663262312.db2.gz MIAZTABDYMHCLK-LSDHHAIUSA-N 1 0 399.354 2.842 20 0 GFADRO C[C@H](Cc1ccc(Br)cc1)C(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000889760455 663264248 /nfs/dbraw/zinc/26/42/48/663264248.db2.gz GKJPYHWSNGMPRT-FHLIZLRMSA-N 1 0 395.341 2.685 20 0 GFADRO O=C(N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO)C1(c2cccc(Br)c2)CC1 ZINC000889773567 663265617 /nfs/dbraw/zinc/26/56/17/663265617.db2.gz BYEUDGZVYSXKMX-IRXDYDNUSA-N 1 0 393.325 2.538 20 0 GFADRO O=C(c1ccc(C2SCCS2)cc1)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000889778714 663266591 /nfs/dbraw/zinc/26/65/91/663266591.db2.gz BNHDWWOZPIVPLF-SJORKVTESA-N 1 0 378.563 2.836 20 0 GFADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)CCCc1ccc(Br)cc1 ZINC000890009696 663280664 /nfs/dbraw/zinc/28/06/64/663280664.db2.gz OXZUHNRGTLZMFC-MRXNPFEDSA-N 1 0 396.373 2.914 20 0 GFADRO C[NH+]1CCC2(CCCN2C(=O)C(=O)Nc2cccc(F)c2Br)CC1 ZINC000890170634 663287163 /nfs/dbraw/zinc/28/71/63/663287163.db2.gz BTASBRCPYIKNJD-UHFFFAOYSA-N 1 0 398.276 2.614 20 0 GFADRO COC(=O)C1CC2(C1)C[C@@H](NC(=O)c1sccc1C[NH+](C)C)CCS2 ZINC000890601189 663306372 /nfs/dbraw/zinc/30/63/72/663306372.db2.gz CJTFJNACJIFVAZ-FVRSWCFKSA-N 1 0 382.551 2.757 20 0 GFADRO Cc1c(Br)cccc1NC(=O)C(=O)N1CCC(C)([NH+]2CCC2)CC1 ZINC000891307414 663334599 /nfs/dbraw/zinc/33/45/99/663334599.db2.gz IHVLGEQMLOVDJM-UHFFFAOYSA-N 1 0 394.313 2.783 20 0 GFADRO [NH3+]Cc1nc2c(s1)CCN(C(=O)NCc1csc(Br)c1)C2 ZINC000891370747 663337678 /nfs/dbraw/zinc/33/76/78/663337678.db2.gz GCDPIRBSDRGPOK-UHFFFAOYSA-N 1 0 387.328 2.694 20 0 GFADRO [NH3+]Cc1nc2c(s1)CCN(C(=O)NCc1cc(F)ccc1Br)C2 ZINC000891395139 663338318 /nfs/dbraw/zinc/33/83/18/663338318.db2.gz QGINFMQPIOLQBQ-UHFFFAOYSA-N 1 0 399.289 2.771 20 0 GFADRO COc1ccc([C@@H](CNc2ccc(Br)nn2)[NH+](C)C)cc1OC ZINC000891488788 663341004 /nfs/dbraw/zinc/34/10/04/663341004.db2.gz AWHGFOHOXMVDHQ-GFCCVEGCSA-N 1 0 381.274 2.971 20 0 GFADRO COc1cc(Br)c(CNC(=O)N2CCC[C@H]3[NH2+]CC[C@@H]32)cc1OC ZINC000891494049 663341221 /nfs/dbraw/zinc/34/12/21/663341221.db2.gz FWOZLBIWHFNJEP-KGLIPLIRSA-N 1 0 398.301 2.502 20 0 GFADRO CC(=O)Nc1cc(Br)ccc1CN1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000891494249 663341299 /nfs/dbraw/zinc/34/12/99/663341299.db2.gz BKWFFGNCIKZXKE-KRWDZBQOSA-N 1 0 396.329 2.704 20 0 GFADRO O=C(NCc1ccc(O)c(Br)c1)N1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000891691354 663347737 /nfs/dbraw/zinc/34/77/37/663347737.db2.gz LCOKGBAIYWFJHC-QGZVFWFLSA-N 1 0 382.302 2.830 20 0 GFADRO O=C(NCCSCc1ccnc(Cl)c1)NC[C@H]1C[NH2+]CCC1(F)F ZINC000891778389 663350109 /nfs/dbraw/zinc/35/01/09/663350109.db2.gz IMMKMRKOVHFWEI-GFCCVEGCSA-N 1 0 378.876 2.512 20 0 GFADRO CCCC[NH+]1CCC(Nc2nc(C(=O)OCC)ncc2Br)CC1 ZINC000891882756 663354232 /nfs/dbraw/zinc/35/42/32/663354232.db2.gz FIXWVSLLYLVFJZ-UHFFFAOYSA-N 1 0 385.306 2.514 20 0 GFADRO O=C(N[C@@H]1COc2cc(F)c(Br)cc21)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000891887135 663354306 /nfs/dbraw/zinc/35/43/06/663354306.db2.gz DZTXHTHNUOOFSF-MGPQQGTHSA-N 1 0 384.249 2.558 20 0 GFADRO CC1CC[NH+](CCCCNC(=O)NCc2ncc(Br)cn2)CC1 ZINC000891902439 663354901 /nfs/dbraw/zinc/35/49/01/663354901.db2.gz USHXKJPSOWGTIM-UHFFFAOYSA-N 1 0 384.322 2.550 20 0 GFADRO Cn1cc(C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)c(Br)n1 ZINC000891978752 663357346 /nfs/dbraw/zinc/35/73/46/663357346.db2.gz FXWJICQXUVTQNE-GOEBONIOSA-N 1 0 389.297 2.529 20 0 GFADRO CNS(=O)(=O)C1CC[NH+](CC(C)(C)c2ccc(Br)cc2)CC1 ZINC000892013177 663358805 /nfs/dbraw/zinc/35/88/05/663358805.db2.gz JMBYAYKUEDPGCD-UHFFFAOYSA-N 1 0 389.359 2.740 20 0 GFADRO CCn1c(Br)c(Br)nc1CN1C[C@@H]2CCC[NH2+][C@@H]2C1 ZINC000892059137 663360745 /nfs/dbraw/zinc/36/07/45/663360745.db2.gz WQSMXNMBSSFHLD-VHSXEESVSA-N 1 0 392.139 2.612 20 0 GFADRO COC[C@H](NC(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1cccc(Br)c1 ZINC000892187078 663365081 /nfs/dbraw/zinc/36/50/81/663365081.db2.gz IHTXTJFDZJIANM-ABFRBSLYSA-N 1 0 396.329 2.824 20 0 GFADRO COc1cc2c(c(OC)c1OC)CCN(Cc1nc(Br)c[nH]1)CC2 ZINC000892191292 663365285 /nfs/dbraw/zinc/36/52/85/663365285.db2.gz FAMFRRICXYNHNO-UHFFFAOYSA-N 1 0 396.285 2.799 20 0 GFADRO O=C(N[C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000892321201 663368980 /nfs/dbraw/zinc/36/89/80/663368980.db2.gz ANCLJNHHGWXALI-LMLQULGWSA-N 1 0 376.298 2.623 20 0 GFADRO O=C(N[C@@H]1[C@H]2Cc3c(cccc3Br)[C@@H]12)N1CCC2(C1)CC[NH2+]CC2 ZINC000892322239 663369251 /nfs/dbraw/zinc/36/92/51/663369251.db2.gz JGNKDCKHTXUZHZ-USXIJHARSA-N 1 0 390.325 2.872 20 0 GFADRO CS(=O)(=O)Nc1cccc(C[NH2+]Cc2cnc(CC(F)(F)F)s2)c1 ZINC000892486026 663375197 /nfs/dbraw/zinc/37/51/97/663375197.db2.gz QJLITERXWUFKQH-UHFFFAOYSA-N 1 0 379.429 2.909 20 0 GFADRO [NH3+][C@H]1C[C@H](CNC(=O)N2CCO[C@@H](c3cc(F)c(Cl)cc3Cl)C2)C1 ZINC000892578403 663377768 /nfs/dbraw/zinc/37/77/68/663377768.db2.gz SENYXOHFAQJLSI-IQMDTDKHSA-N 1 0 376.259 2.953 20 0 GFADRO C[C@H]([NH2+]C[C@@H]1C[C@]1(C)Br)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000892631127 663379328 /nfs/dbraw/zinc/37/93/28/663379328.db2.gz DHOFGMQIZLFJQR-WHOFXGATSA-N 1 0 375.332 2.761 20 0 GFADRO O=C(NCc1cc(C(F)(F)F)cc(Cl)n1)NC[C@H]1C[NH2+]CCC1(F)F ZINC000892712150 663382896 /nfs/dbraw/zinc/38/28/96/663382896.db2.gz RIRFMGLJZSHUEK-SECBINFHSA-N 1 0 386.752 2.798 20 0 GFADRO C[C@]1(NC(=O)[C@@H]2CCOc3ccc(Br)cc32)C[NH+]2CCC1CC2 ZINC000892765584 663384071 /nfs/dbraw/zinc/38/40/71/663384071.db2.gz BVTHFLPEZNNVCZ-KDOFPFPSSA-N 1 0 379.298 2.916 20 0 GFADRO C[C@@]1(NC(=O)[C@H]2CCOc3ccc(Br)cc32)C[NH+]2CCC1CC2 ZINC000892765582 663384158 /nfs/dbraw/zinc/38/41/58/663384158.db2.gz BVTHFLPEZNNVCZ-KBXCAEBGSA-N 1 0 379.298 2.916 20 0 GFADRO C[C@@]1(NC(=O)[C@@H]2CCOc3ccc(Br)cc32)C[NH+]2CCC1CC2 ZINC000892765586 663384191 /nfs/dbraw/zinc/38/41/91/663384191.db2.gz BVTHFLPEZNNVCZ-RDTXWAMCSA-N 1 0 379.298 2.916 20 0 GFADRO C[C@@]1(NC(=O)c2cnn(-c3ccccc3)c2Br)C[NH+]2CCC1CC2 ZINC000892781429 663384680 /nfs/dbraw/zinc/38/46/80/663384680.db2.gz XPUDMACEVIGUED-GOSISDBHSA-N 1 0 389.297 2.849 20 0 GFADRO Cn1ncc(C[NH2+]CCCNC(=O)c2cccc(Br)c2)c1C1CC1 ZINC000892783605 663384692 /nfs/dbraw/zinc/38/46/92/663384692.db2.gz BCOUIAQSVPWGDA-UHFFFAOYSA-N 1 0 391.313 2.970 20 0 GFADRO COc1ccccc1CC(=O)N1CCC([NH2+]C[C@@H]2C[C@@]2(C)Br)CC1 ZINC000892846980 663386508 /nfs/dbraw/zinc/38/65/08/663386508.db2.gz LITWFAGQNSLPEY-HNAYVOBHSA-N 1 0 395.341 2.992 20 0 GFADRO C[C@H]([NH2+]C[C@@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1)[C@H]1CCS(=O)(=O)C1 ZINC000893274290 663404791 /nfs/dbraw/zinc/40/47/91/663404791.db2.gz NQLGOEUEVCMWAP-OWCBBSPXSA-N 1 0 388.936 2.885 20 0 GFADRO CC[C@@H](Cc1ccccc1Br)NC(=O)NCC[NH+]1CCC(O)CC1 ZINC000893654737 663419204 /nfs/dbraw/zinc/41/92/04/663419204.db2.gz JYFZNMYDHUUPNP-HNNXBMFYSA-N 1 0 398.345 2.526 20 0 GFADRO CC(C)[NH2+][C@@H]1CCCN(C(=O)C[C@@H]2C(=O)Nc3c2cccc3Br)C1 ZINC000893801432 663425249 /nfs/dbraw/zinc/42/52/49/663425249.db2.gz SUOVTVSCSGTAEV-OCCSQVGLSA-N 1 0 394.313 2.864 20 0 GFADRO OCC[C@]1([NH2+]Cc2cc(Br)ccc2Br)CCOC1 ZINC000894072903 663440963 /nfs/dbraw/zinc/44/09/63/663440963.db2.gz XVBZZNCNLWKMGS-ZDUSSCGKSA-N 1 0 379.092 2.843 20 0 GFADRO O=c1ccc2c([nH]1)CCC[C@H]2[NH2+]Cc1sc(N2CCOCC2)nc1Cl ZINC000894163478 663446333 /nfs/dbraw/zinc/44/63/33/663446333.db2.gz XMTFZWDEEMDEBD-GFCCVEGCSA-N 1 0 380.901 2.901 20 0 GFADRO C[C@H]([NH2+][C@@H](CO)c1ccc(Cl)cc1C(F)(F)F)[C@H]1CCS(=O)(=O)C1 ZINC000894181867 663447290 /nfs/dbraw/zinc/44/72/90/663447290.db2.gz AMDVFMQJFZNKDN-BHDSKKPTSA-N 1 0 385.835 2.805 20 0 GFADRO OC[C@H](C[NH2+]Cc1cc(Br)ccc1Br)[C@H]1CCOC1 ZINC000894191364 663447636 /nfs/dbraw/zinc/44/76/36/663447636.db2.gz XSPBPNZIERSEBP-JQWIXIFHSA-N 1 0 393.119 2.946 20 0 GFADRO Cn1nc(Br)nc1C[NH2+]CCCC(=O)Nc1ccc(Cl)cc1 ZINC000894199514 663448202 /nfs/dbraw/zinc/44/82/02/663448202.db2.gz LFQJBEUONGOEAU-UHFFFAOYSA-N 1 0 386.681 2.740 20 0 GFADRO Cn1nc(Br)nc1C[NH2+]CCc1ccc(F)c(Br)c1 ZINC000894207747 663448834 /nfs/dbraw/zinc/44/88/34/663448834.db2.gz XGJBXUUHEQLKNO-UHFFFAOYSA-N 1 0 392.070 2.812 20 0 GFADRO Cn1nc(Br)nc1C[NH2+]C[C@@H]1CCN(c2ccc(Cl)cc2)C1 ZINC000894211456 663449129 /nfs/dbraw/zinc/44/91/29/663449129.db2.gz QJTUSKSNTCKUAK-NSHDSACASA-N 1 0 384.709 2.847 20 0 GFADRO Cn1nc(Br)nc1CN[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000894218985 663449532 /nfs/dbraw/zinc/44/95/32/663449532.db2.gz DHPMDKRCIPGDCO-HNNXBMFYSA-N 1 0 378.318 2.894 20 0 GFADRO Cc1nn(C)c(C)c1C[C@@H](C)[NH2+]Cc1sc(N2CCOCC2)nc1Cl ZINC000894309807 663453677 /nfs/dbraw/zinc/45/36/77/663453677.db2.gz OBDFAUCVORYCFE-LLVKDONJSA-N 1 0 383.949 2.704 20 0 GFADRO CN1C(=O)N[C@@]2(CCC[C@@H]2C[NH2+]Cc2cc3ccnc(Cl)c3s2)C1=O ZINC000894317234 663454053 /nfs/dbraw/zinc/45/40/53/663454053.db2.gz KSKYTNIHIQWDOV-PIGZYNQJSA-N 1 0 378.885 2.760 20 0 GFADRO O=S(=O)(CCC[NH2+][C@H]1CCC2(C[C@H]1F)OCCO2)c1ccc(Cl)cc1 ZINC000894651219 663474576 /nfs/dbraw/zinc/47/45/76/663474576.db2.gz PGDWZNSNANVIIC-CVEARBPZSA-N 1 0 391.892 2.727 20 0 GFADRO O=C(NCCCCc1ccc(Cl)s1)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000894682115 663475836 /nfs/dbraw/zinc/47/58/36/663475836.db2.gz UUTFVDNRGLWDET-HOTGVXAUSA-N 1 0 385.961 2.965 20 0 GFADRO C[C@@H]1CC(CC[NH2+]Cc2cn(C)nc2I)C[C@@H](C)O1 ZINC000894684734 663476230 /nfs/dbraw/zinc/47/62/30/663476230.db2.gz PJXYFGPGWWOQFQ-GHMZBOCLSA-N 1 0 377.270 2.708 20 0 GFADRO CC(C)(C)OC(=O)N1CCCO[C@H](C[NH2+]C[C@H]2C[C@]2(C)Br)C1 ZINC000894769457 663480626 /nfs/dbraw/zinc/48/06/26/663480626.db2.gz MRDQTJRSOKLYLM-IOASZLSFSA-N 1 0 377.323 2.776 20 0 GFADRO CCn1cc(CNc2cc(N3CCOCC3)c(Br)c[nH+]2)c(C)n1 ZINC000894787001 663481773 /nfs/dbraw/zinc/48/17/73/663481773.db2.gz CQWGTUZZBBVOTF-UHFFFAOYSA-N 1 0 380.290 2.818 20 0 GFADRO CC(C)[C@@H]1C[C@H](C[NH2+]Cc2cn(C)nc2I)CCO1 ZINC000894898742 663487244 /nfs/dbraw/zinc/48/72/44/663487244.db2.gz JSSCIXWBESINDJ-YPMHNXCESA-N 1 0 377.270 2.566 20 0 GFADRO CC(=O)Nc1cc(Br)ccc1C[NH2+]CCC(C)(C)S(C)(=O)=O ZINC000894909794 663487596 /nfs/dbraw/zinc/48/75/96/663487596.db2.gz IMUOUEQRJBCBIW-UHFFFAOYSA-N 1 0 391.331 2.710 20 0 GFADRO OCCCCC[NH+]1CCN(c2ncnc3cc(F)c(Br)cc32)CC1 ZINC000894964432 663492485 /nfs/dbraw/zinc/49/24/85/663492485.db2.gz QDNAVZKLSSJLHJ-UHFFFAOYSA-N 1 0 397.292 2.816 20 0 GFADRO Cn1cc(C[N@@H+]2CCSC3(CCC3)CC2)c(I)n1 ZINC000894988384 663493598 /nfs/dbraw/zinc/49/35/98/663493598.db2.gz YVAZSIYHTBNZLQ-UHFFFAOYSA-N 1 0 377.295 2.886 20 0 GFADRO Cn1ncc(I)c1C[NH2+]C[C@@H]1C[C@H](c2ccccc2)CO1 ZINC000895268884 663506234 /nfs/dbraw/zinc/50/62/34/663506234.db2.gz AVCBWPZFKCMZJQ-KBPBESRZSA-N 1 0 397.260 2.687 20 0 GFADRO CN(C)c1nc(C(F)(F)F)ccc1C[NH2+]CC[S@@](=O)CC(F)(F)F ZINC000895313003 663507716 /nfs/dbraw/zinc/50/77/16/663507716.db2.gz BJYDKVZJOIQTJP-XMMPIXPASA-N 1 0 377.354 2.567 20 0 GFADRO Cn1cc(C[NH2+]C2([C@H]3CCCCO3)CCC2)c(I)n1 ZINC000895467378 663515975 /nfs/dbraw/zinc/51/59/75/663515975.db2.gz LEPLSHOJBQBSQJ-GFCCVEGCSA-N 1 0 375.254 2.606 20 0 GFADRO CC[C@H]([NH2+]Cc1cn(C)nc1I)[C@H](O)c1ccccc1 ZINC000895476721 663516523 /nfs/dbraw/zinc/51/65/23/663516523.db2.gz NCKKACGUALWZAL-UONOGXRCSA-N 1 0 385.249 2.627 20 0 GFADRO FC(F)(F)c1ccn(CC[NH2+]Cc2sc(N3CCOCC3)nc2Cl)n1 ZINC000895475176 663516530 /nfs/dbraw/zinc/51/65/30/663516530.db2.gz STQVKLUMRGEZKV-UHFFFAOYSA-N 1 0 395.838 2.638 20 0 GFADRO C[C@]1(Br)C[C@@H]1C[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(F)(F)F ZINC000895661222 663522497 /nfs/dbraw/zinc/52/24/97/663522497.db2.gz CHQRQZQSFNGLCG-VPLWTHEFSA-N 1 0 395.263 2.891 20 0 GFADRO CC[C@H](CO)Nc1cc(N2CCC[C@@H]2c2ncc(Br)cn2)ncn1 ZINC000895712066 663524838 /nfs/dbraw/zinc/52/48/38/663524838.db2.gz XZIBWOPVGPJPQX-CHWSQXEVSA-N 1 0 393.289 2.553 20 0 GFADRO CC(C)(C)OC(=O)N(CCO)C1CC[NH+](C[C@@H]2C[C@]2(C)Br)CC1 ZINC000895744465 663526166 /nfs/dbraw/zinc/52/61/66/663526166.db2.gz QWKBJFZGBKFUIB-GUYCJALGSA-N 1 0 391.350 2.854 20 0 GFADRO COc1ccccc1C[C@](C)(CO)[NH2+]Cc1ncc(Br)cc1O ZINC000895766829 663526774 /nfs/dbraw/zinc/52/67/74/663526774.db2.gz YOVQPUYOKJJLFB-QGZVFWFLSA-N 1 0 381.270 2.642 20 0 GFADRO CC[C@H](Cc1ccc(Br)cc1)[NH2+][C@@H]1C(=O)NCC12CCOCC2 ZINC000895765998 663526799 /nfs/dbraw/zinc/52/67/99/663526799.db2.gz QPGGLQVDRCDXRD-HZPDHXFCSA-N 1 0 381.314 2.655 20 0 GFADRO CC[C@H](Cc1ccc(Br)cc1)NC(=O)NCC[NH+]1CCC(O)CC1 ZINC000895881811 663531760 /nfs/dbraw/zinc/53/17/60/663531760.db2.gz NXGVCEUQBSRYFQ-MRXNPFEDSA-N 1 0 398.345 2.526 20 0 GFADRO CC[NH+](CC)[C@H](CNC(=O)c1nn2c(c1Br)CCC2)c1ccco1 ZINC000895935500 663534143 /nfs/dbraw/zinc/53/41/43/663534143.db2.gz HGQPYGWMSUBKQB-CYBMUJFWSA-N 1 0 395.301 2.998 20 0 GFADRO CO[C@@H]1CCOC[C@H]1NC(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000896012391 663537511 /nfs/dbraw/zinc/53/75/11/663537511.db2.gz SVBLEVYDMWHCQU-ARFHVFGLSA-N 1 0 390.311 2.699 20 0 GFADRO CC1CC[NH+](C[C@H]2CCCN(C(=O)c3cn(C)nc3Br)C2)CC1 ZINC000896016731 663537737 /nfs/dbraw/zinc/53/77/37/663537737.db2.gz DWJXIZJAYPRPPF-CQSZACIVSA-N 1 0 383.334 2.767 20 0 GFADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)CCCc1ccc(Br)cc1 ZINC000896224036 663546003 /nfs/dbraw/zinc/54/60/03/663546003.db2.gz ZGBSQTSFEZIWSI-HNNXBMFYSA-N 1 0 382.346 2.524 20 0 GFADRO C[C@H](CC(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCN1C)c1ccc(Br)cc1 ZINC000896551270 663563505 /nfs/dbraw/zinc/56/35/05/663563505.db2.gz DQTIBAKIAJIYRJ-JKIFEVAISA-N 1 0 382.346 2.693 20 0 GFADRO C[C@@H](NC(=O)c1csc(-c2ccccc2Cl)n1)[C@H]1C[N@H+](C)CCN1C ZINC000896564356 663564356 /nfs/dbraw/zinc/56/43/56/663564356.db2.gz PQYNIVDQXVLOPN-MLGOLLRUSA-N 1 0 378.929 2.828 20 0 GFADRO C[C@@H](NC(=O)c1cc2cc(Br)ccc2o1)[C@H]1C[N@H+](C)CCN1C ZINC000896570106 663564652 /nfs/dbraw/zinc/56/46/52/663564652.db2.gz JOSJIRWAEWULBS-BXUZGUMPSA-N 1 0 380.286 2.559 20 0 GFADRO C[C@@H](NC(=O)CSCc1ccc(Cl)cc1Cl)[C@H]1C[N@H+](C)CCN1C ZINC000896569287 663564766 /nfs/dbraw/zinc/56/47/66/663564766.db2.gz SROYLDHVWGWQGF-MLGOLLRUSA-N 1 0 390.380 2.977 20 0 GFADRO CC[C@H](Cc1cccc(Br)c1)C(=O)N[C@H](C)[C@H]1C[N@H+](C)CCN1C ZINC000896566313 663565119 /nfs/dbraw/zinc/56/51/19/663565119.db2.gz YJWIICUGQFBKQW-QGPMSJSTSA-N 1 0 396.373 2.768 20 0 GFADRO O=C1C[C@@H](CC[NH2+]Cc2cc(Br)ccc2Br)CN1 ZINC000896893993 663580929 /nfs/dbraw/zinc/58/09/29/663580929.db2.gz DIIHKIOBFOOKFO-SECBINFHSA-N 1 0 376.092 2.827 20 0 GFADRO CC(C)(C)OC(=O)N[C@]1(CO)CCC[N@H+](C[C@@H]2C[C@]2(C)Br)C1 ZINC000896980751 663583824 /nfs/dbraw/zinc/58/38/24/663583824.db2.gz UXJJKTCQJPHGSO-VBNZEHGJSA-N 1 0 377.323 2.512 20 0 GFADRO C[NH+]1CCC2(CCN2c2ncnc3cccc(I)c32)CC1 ZINC000897133506 663593038 /nfs/dbraw/zinc/59/30/38/663593038.db2.gz JYEIHBCKLFRAOP-UHFFFAOYSA-N 1 0 394.260 2.909 20 0 GFADRO CC[N@H+](C)Cc1cccc(CNC(=O)C(=O)NCc2cscc2Cl)c1 ZINC000897538506 663609179 /nfs/dbraw/zinc/60/91/79/663609179.db2.gz MYWDKLKAAUNRFJ-UHFFFAOYSA-N 1 0 379.913 2.786 20 0 GFADRO O=C(C1C[NH+](C2CCOCC2)C1)N1CC[C@H](c2cccc(Br)c2)C1 ZINC000897901640 663625133 /nfs/dbraw/zinc/62/51/33/663625133.db2.gz RYWXEGMYOXXIBL-HNNXBMFYSA-N 1 0 393.325 2.876 20 0 GFADRO O=C(Nc1cccc2c(Br)ccnc12)C1C[NH+]([C@H]2CCOC2)C1 ZINC000897919680 663625927 /nfs/dbraw/zinc/62/59/27/663625927.db2.gz PRCJNVWCJKKTNE-LBPRGKRZSA-N 1 0 376.254 2.657 20 0 GFADRO COc1cc(C[NH2+][C@H]2c3ccccc3OC[C@H]2CO)cc(Br)c1O ZINC000897952872 663626938 /nfs/dbraw/zinc/62/69/38/663626938.db2.gz KPRITNYHKKLLRZ-SJKOYZFVSA-N 1 0 394.265 2.995 20 0 GFADRO COc1ccc(Br)c(C[NH2+]C[C@]2(c3cnn(C)c3)CCCO2)c1 ZINC000898059088 663631551 /nfs/dbraw/zinc/63/15/51/663631551.db2.gz XVBDKVKYKPLHAS-KRWDZBQOSA-N 1 0 380.286 2.987 20 0 GFADRO C[C@@H](C(=O)N1CCC(CO)([NH2+]CC2CC2)CC1)c1cccc(Br)c1 ZINC000898111094 663634023 /nfs/dbraw/zinc/63/40/23/663634023.db2.gz UFXNAOAJXCSIKV-CQSZACIVSA-N 1 0 395.341 2.906 20 0 GFADRO COc1ccc([C@@H](C)[NH2+][C@H]2CCN(c3cc(=O)[nH]cn3)C2)c(Br)c1 ZINC000898152432 663635788 /nfs/dbraw/zinc/63/57/88/663635788.db2.gz IEFQSNMKFAIJKI-NEPJUHHUSA-N 1 0 393.285 2.883 20 0 GFADRO C[C@@H](Cc1ccc(Br)c(F)c1)[NH2+][C@H]1CCN(c2cc(=O)[nH]cn2)C1 ZINC000898156297 663636332 /nfs/dbraw/zinc/63/63/32/663636332.db2.gz CVYWGBVKQCVURY-AAEUAGOBSA-N 1 0 395.276 2.883 20 0 GFADRO O=c1cc(N2CC[C@H]([NH2+]Cc3ccc(Br)cc3Cl)C2)nc[nH]1 ZINC000898155766 663636412 /nfs/dbraw/zinc/63/64/12/663636412.db2.gz QZXSKOBXHPICRL-LBPRGKRZSA-N 1 0 383.677 2.967 20 0 GFADRO O=c1ccn(CCC[NH2+]Cc2cc(Br)c(Cl)s2)c(=O)[nH]1 ZINC000898327700 663643766 /nfs/dbraw/zinc/64/37/66/663643766.db2.gz AMSWINXSSDLAFR-UHFFFAOYSA-N 1 0 378.679 2.606 20 0 GFADRO Cc1cc(Br)c(C[NH2+]CCCn2ccc(=O)[nH]c2=O)cc1Cl ZINC000898330458 663643783 /nfs/dbraw/zinc/64/37/83/663643783.db2.gz WKXFNCJWJKLNBN-UHFFFAOYSA-N 1 0 386.677 2.853 20 0 GFADRO OC[C@H]([NH2+][C@@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21)c1ccccc1I ZINC000898511174 663653320 /nfs/dbraw/zinc/65/33/20/663653320.db2.gz ACXIWHYFBNRANJ-DJJPAPDTSA-N 1 0 399.272 2.728 20 0 GFADRO CO[C@@H]1CCC[C@@H]([NH2+][C@H](CO)c2ccccc2I)C1 ZINC000898511265 663653705 /nfs/dbraw/zinc/65/37/05/663653705.db2.gz BHZFMFAFIPTSDD-LALPHHSUSA-N 1 0 375.250 2.872 20 0 GFADRO C[C@H](C[C@H]1CCOC1)[NH2+][C@H](CO)c1ccccc1I ZINC000898513675 663654515 /nfs/dbraw/zinc/65/45/15/663654515.db2.gz XTWVUUXIWIQHBF-LALPHHSUSA-N 1 0 375.250 2.729 20 0 GFADRO O=C(c1nc(Br)ccc1Br)N1CC([NH+]2CCCC2)C1 ZINC000898603953 663657619 /nfs/dbraw/zinc/65/76/19/663657619.db2.gz SKDYFSJCUREOPS-UHFFFAOYSA-N 1 0 389.091 2.527 20 0 GFADRO CC(C)(C)OC(=O)NCC1(C[NH2+][C@H]2CCc3ncc(Br)n3C2)CC1 ZINC000898719655 663660340 /nfs/dbraw/zinc/66/03/40/663660340.db2.gz HJTXTCQDCOVTDW-LBPRGKRZSA-N 1 0 399.333 2.855 20 0 GFADRO Brc1cnc2n1C[C@@H]([NH2+]Cc1ccc(O[C@H]3CCOC3)cc1)CC2 ZINC000898719487 663660343 /nfs/dbraw/zinc/66/03/43/663660343.db2.gz GCNSYQUHNPOCPI-HOCLYGCPSA-N 1 0 392.297 2.918 20 0 GFADRO Cn1cc(C(=O)N2CC[C@@H]([N@H+](C)CCc3ccccc3)C2)c(Br)n1 ZINC000898722943 663660801 /nfs/dbraw/zinc/66/08/01/663660801.db2.gz DPCDFXGSYZCVLM-OAHLLOKOSA-N 1 0 391.313 2.572 20 0 GFADRO CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCc2ncc(Br)n2C1 ZINC000898723937 663661003 /nfs/dbraw/zinc/66/10/03/663661003.db2.gz KLJSHMPQSCMDKA-JHJVBQTASA-N 1 0 399.333 2.996 20 0 GFADRO CC(C)COC(=O)N1CCC([NH2+][C@@H]2CCc3ncc(Br)n3C2)CC1 ZINC000898723899 663661134 /nfs/dbraw/zinc/66/11/34/663661134.db2.gz JLKXLCWJZAXTOB-CQSZACIVSA-N 1 0 399.333 2.807 20 0 GFADRO COc1cc(C(=O)NCC(C)(C)n2ccnc2)cc(Br)c1OC ZINC000898907701 663669021 /nfs/dbraw/zinc/66/90/21/663669021.db2.gz WHAGUUJYICMKNM-UHFFFAOYSA-N 1 0 382.258 2.828 20 0 GFADRO Cc1ccc(F)c(Br)c1C(=O)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000900023168 663706609 /nfs/dbraw/zinc/70/66/09/663706609.db2.gz HRPQXCCXPCUFHX-UHFFFAOYSA-N 1 0 398.320 2.750 20 0 GFADRO C[N@@H+]1CCC[C@@](O)(CC(=O)N2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)C1 ZINC000900529528 663716472 /nfs/dbraw/zinc/71/64/72/663716472.db2.gz WMAFZDHOGGYZMR-SJLPKXTDSA-N 1 0 387.307 2.740 20 0 GFADRO C[NH+](C)CCn1nccc1C(=O)N[C@H]1CCc2c1cccc2Br ZINC000900541148 663716550 /nfs/dbraw/zinc/71/65/50/663716550.db2.gz BODFNKCSSLPULL-HNNXBMFYSA-N 1 0 377.286 2.625 20 0 GFADRO C[C@H](c1cccc(Br)c1)n1cc(CNC2CC[NH+](C)CC2)nn1 ZINC000900560101 663717053 /nfs/dbraw/zinc/71/70/53/663717053.db2.gz BJBOEROLCKDJFW-CYBMUJFWSA-N 1 0 378.318 2.834 20 0 GFADRO O=C([C@@H](O)c1cccc(Br)c1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000900784851 663721483 /nfs/dbraw/zinc/72/14/83/663721483.db2.gz VVLGHXAXHLDHNE-IRXDYDNUSA-N 1 0 381.314 2.959 20 0 GFADRO Cn1cc(C(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)c(Br)n1 ZINC000900957538 663727781 /nfs/dbraw/zinc/72/77/81/663727781.db2.gz GPYPWNWHLKFPLW-UHFFFAOYSA-N 1 0 391.313 2.919 20 0 GFADRO COc1cn(C[N@H+](C)CCOc2ccc(Br)cc2)c(C)cc1=O ZINC000902035009 663754457 /nfs/dbraw/zinc/75/44/57/663754457.db2.gz PEDHPDFMOGWDOO-UHFFFAOYSA-N 1 0 381.270 2.896 20 0 GFADRO CC[NH+]1CCC(NC(=O)COc2ccc3cccnc3c2Br)CC1 ZINC000902584533 663763986 /nfs/dbraw/zinc/76/39/86/663763986.db2.gz PVMIWVAPBLVDPM-UHFFFAOYSA-N 1 0 392.297 2.977 20 0 GFADRO C[C@]12CSC[C@H]1C[N@H+](Cn1nc(Br)c(=O)c3ccccc31)C2 ZINC000902675591 663765824 /nfs/dbraw/zinc/76/58/24/663765824.db2.gz ZPIRIPWOOOMNJY-BZNIZROVSA-N 1 0 380.311 2.801 20 0 GFADRO O=C(NCCC[NH2+][C@@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21)c1ccc(Br)cc1 ZINC000902785471 663767473 /nfs/dbraw/zinc/76/74/73/663767473.db2.gz FRQSIQIJKWFEIQ-QXDIGNSFSA-N 1 0 393.325 2.972 20 0 GFADRO CC(C)C[C@@H]([NH2+]Cc1nn(C)cc1I)C1CCOCC1 ZINC000903012705 663771181 /nfs/dbraw/zinc/77/11/81/663771181.db2.gz SCZJEMYKHCJDRO-CQSZACIVSA-N 1 0 391.297 2.956 20 0 GFADRO Cc1cc(NS(=O)(=O)C[C@@]2(C)CC2(Cl)Cl)n(-c2cc[nH+]cc2)n1 ZINC000903095765 663773346 /nfs/dbraw/zinc/77/33/46/663773346.db2.gz YGXYZIBSMIOSGK-CYBMUJFWSA-N 1 0 375.281 2.901 20 0 GFADRO C[C@H]([NH2+]CCOC[C@@H]1CCCO1)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000903098605 663773509 /nfs/dbraw/zinc/77/35/09/663773509.db2.gz RLPYMZBXKSYKJQ-JSGCOSHPSA-N 1 0 381.416 2.826 20 0 GFADRO COC1(C[NH2+][C@H](C)c2cccc(S(=O)(=O)C(F)(F)F)c2)CCOCC1 ZINC000903125688 663775104 /nfs/dbraw/zinc/77/51/04/663775104.db2.gz NRFLEFJBHPJHGS-GFCCVEGCSA-N 1 0 381.416 2.826 20 0 GFADRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+][C@H](C)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000903130803 663775287 /nfs/dbraw/zinc/77/52/87/663775287.db2.gz OSOQVJJXIMHGDM-LERXQTSPSA-N 1 0 378.416 2.545 20 0 GFADRO O=S(=O)(NCC[NH2+][C@H](c1ccccn1)C1CC1)c1ccc(F)cc1Cl ZINC000903164905 663776618 /nfs/dbraw/zinc/77/66/18/663776618.db2.gz JPEXPTIUYBCDQR-KRWDZBQOSA-N 1 0 383.876 2.893 20 0 GFADRO COC(=O)CC(C)(C)C[C@H](C)[NH2+]CC1(S(=O)(=O)NC(C)(C)C)CCC1 ZINC000903189217 663777629 /nfs/dbraw/zinc/77/76/29/663777629.db2.gz SSQWVAQIWFUDCA-AWEZNQCLSA-N 1 0 376.563 2.585 20 0 GFADRO COc1cc(C(F)(F)F)cc(S(=O)(=O)N2CCC([NH+]3CCC3)CC2)c1 ZINC000903203784 663778469 /nfs/dbraw/zinc/77/84/69/663778469.db2.gz FIRRMNVVCLRFNC-UHFFFAOYSA-N 1 0 378.416 2.573 20 0 GFADRO Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3[NH2+]CCS(=O)(=O)N=S(C)(C)=O ZINC000903226730 663779266 /nfs/dbraw/zinc/77/92/66/663779266.db2.gz NPYDOJICHSOXJX-MRXNPFEDSA-N 1 0 383.539 2.501 20 0 GFADRO COc1ncc([C@H](C)[NH2+]C[C@@H]2CCCC[C@H]2NS(C)(=O)=O)cc1Cl ZINC000903232770 663780087 /nfs/dbraw/zinc/78/00/87/663780087.db2.gz BYYJGBNFASSQGY-SLEUVZQESA-N 1 0 375.922 2.502 20 0 GFADRO CSc1ccc(Br)cc1CC[NH2+][C@@H]1C(=O)NCC12CCOCC2 ZINC000903256854 663780604 /nfs/dbraw/zinc/78/06/04/663780604.db2.gz RIDHONXRPNWRJT-OAHLLOKOSA-N 1 0 399.354 2.598 20 0 GFADRO CC(C)O[C@@]1(C[NH2+][C@@H](C)c2ccc(S(=O)(=O)C(F)F)cc2)CCOC1 ZINC000903361097 663782399 /nfs/dbraw/zinc/78/23/99/663782399.db2.gz PJFLOGSWAWDDKV-SUMWQHHRSA-N 1 0 377.453 2.918 20 0 GFADRO C[C@H]([NH2+]CC1(O)CCC2(CC1)OCCO2)c1nc(Br)cs1 ZINC000903373426 663783319 /nfs/dbraw/zinc/78/33/19/663783319.db2.gz VUSZTGCOXGNUEW-JTQLQIEISA-N 1 0 377.304 2.604 20 0 GFADRO O=c1cc(N2CC[C@H]([NH2+][C@H]3CCCc4ncc(Br)cc43)C2)nc[nH]1 ZINC000903400671 663783808 /nfs/dbraw/zinc/78/38/08/663783808.db2.gz WUMDNEHTVHRWJW-WFASDCNBSA-N 1 0 390.285 2.586 20 0 GFADRO O=c1cc(N2CC[C@@H]([NH2+][C@H]3CCc4ccc(Br)cc43)C2)nc[nH]1 ZINC000903400163 663783824 /nfs/dbraw/zinc/78/38/24/663783824.db2.gz RYCQRJJIVWPDCS-HIFRSBDPSA-N 1 0 375.270 2.801 20 0 GFADRO O=c1cc(N2CC[C@H]([NH2+][C@H]3CCc4c3cc(Br)cc4F)C2)nc[nH]1 ZINC000903399986 663783906 /nfs/dbraw/zinc/78/39/06/663783906.db2.gz ZUWOTTDXQNZEIX-NHYWBVRUSA-N 1 0 393.260 2.940 20 0 GFADRO C[C@H]([NH2+][C@H]1CCN(c2cn[nH]c(=O)c2Cl)C1)c1ccc([S@@](C)=O)cc1 ZINC000903433911 663784731 /nfs/dbraw/zinc/78/47/31/663784731.db2.gz GWPXJSGGXYCSFS-ANZDFMNSSA-N 1 0 380.901 2.503 20 0 GFADRO COC(=O)C1CC2(C1)C[C@H]([NH2+][C@@H]1CCCc3sccc31)CCS2(=O)=O ZINC000903453198 663785115 /nfs/dbraw/zinc/78/51/15/663785115.db2.gz UUOPHNBNSTUBCV-IBTMFYDMSA-N 1 0 383.535 2.614 20 0 GFADRO O=S(=O)(c1c[nH]c2ncc(Cl)cc12)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000903499515 663785782 /nfs/dbraw/zinc/78/57/82/663785782.db2.gz LDRPVAYDWIHAGL-OLZOCXBDSA-N 1 0 382.917 2.617 20 0 GFADRO CC1(C)C[NH2+]CC[C@@H]1NS(=O)(=O)c1c[nH]c2cc(Br)ccc21 ZINC000903503366 663785825 /nfs/dbraw/zinc/78/58/25/663785825.db2.gz JBIZWZGUWFFIMQ-AWEZNQCLSA-N 1 0 386.315 2.597 20 0 GFADRO C[NH2+]C[C@@H]1CCCN(S(=O)(=O)Cc2cccc(Cl)c2Br)C1 ZINC000903510367 663786129 /nfs/dbraw/zinc/78/61/29/663786129.db2.gz HWKLBXXQNFICGZ-NSHDSACASA-N 1 0 395.750 2.864 20 0 GFADRO C[C@@H]1CN(S(=O)(=O)c2c[nH]c3cc(Br)ccc32)CC[C@H]1C[NH3+] ZINC000903519942 663786954 /nfs/dbraw/zinc/78/69/54/663786954.db2.gz CBAQZAGDSCOSJN-MNOVXSKESA-N 1 0 386.315 2.536 20 0 GFADRO O=S(=O)(Cc1cccc(Cl)c1Br)N1CCC2(CC[NH2+]2)CC1 ZINC000903523211 663787209 /nfs/dbraw/zinc/78/72/09/663787209.db2.gz XVKJTXKMKRMZSK-UHFFFAOYSA-N 1 0 393.734 2.760 20 0 GFADRO Cc1ccc(NC(=O)CN2CC[C@@H](C(F)(F)F)[C@H]([NH3+])C2)c(Br)c1 ZINC000903533135 663787444 /nfs/dbraw/zinc/78/74/44/663787444.db2.gz BJYNWKMNNOKXLB-ZYHUDNBSSA-N 1 0 394.235 2.908 20 0 GFADRO COc1ccc(Cl)cc1NC(=O)CCN1CC[C@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903534425 663787637 /nfs/dbraw/zinc/78/76/37/663787637.db2.gz MJHVSUJOAZGVBQ-NWDGAFQWSA-N 1 0 379.810 2.889 20 0 GFADRO C[C@@H]1CN(S(=O)(=O)c2cccc(Br)c2Cl)C[C@H]1CC[NH3+] ZINC000903557613 663788711 /nfs/dbraw/zinc/78/87/11/663788711.db2.gz DMXMAVIRZFGNHA-NXEZZACHSA-N 1 0 381.723 2.708 20 0 GFADRO Cc1ccc(Br)c(CS(=O)(=O)N2C[C@@H](C)[C@H](CC[NH3+])C2)c1 ZINC000903557419 663788763 /nfs/dbraw/zinc/78/87/63/663788763.db2.gz OCDLSRKSWZDZGC-CHWSQXEVSA-N 1 0 375.332 2.504 20 0 GFADRO [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(S(=O)(=O)c1cc(Cl)ccc1OC(F)(F)F)C2 ZINC000903579653 663790113 /nfs/dbraw/zinc/79/01/13/663790113.db2.gz OSAFZALSZFRQPG-LSJOCFKGSA-N 1 0 384.807 2.739 20 0 GFADRO O=S(=O)(c1cc(Cl)ccc1Br)N1CCC[C@@]12CC[NH2+]C2 ZINC000903593566 663791045 /nfs/dbraw/zinc/79/10/45/663791045.db2.gz PEJHSOMRMFHTQO-ZDUSSCGKSA-N 1 0 379.707 2.619 20 0 GFADRO Brc1cccc([C@@H]2COCCN2C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)c1 ZINC000903767605 663806292 /nfs/dbraw/zinc/80/62/92/663806292.db2.gz XLCZHGJFFRPDIR-FGTMMUONSA-N 1 0 381.314 2.591 20 0 GFADRO Cc1c(C[C@H](C[NH3+])CN(C)Cc2ccc(F)cc2Br)cnn1C ZINC000903916283 663811491 /nfs/dbraw/zinc/81/14/91/663811491.db2.gz SBJDNEJCRWPCDG-CYBMUJFWSA-N 1 0 383.309 2.880 20 0 GFADRO Brc1ccc([C@H]2CCCN2Cc2cnnn2[C@H]2CCC[NH2+]C2)nc1 ZINC000903929920 663812179 /nfs/dbraw/zinc/81/21/79/663812179.db2.gz OBRXOXZHBZXKTL-WMLDXEAASA-N 1 0 391.317 2.697 20 0 GFADRO COc1cc(Br)c(CN[C@@H]2C[NH2+]CC3(CCOCC3)C2)c(OC)c1 ZINC000903974397 663814222 /nfs/dbraw/zinc/81/42/22/663814222.db2.gz UQBHCPGPWQRBOT-ZDUSSCGKSA-N 1 0 399.329 2.715 20 0 GFADRO [NH3+][C@@H]1CN(Cc2cnc3ccc(Br)cn23)CC[C@H]1C(F)(F)F ZINC000903983795 663815273 /nfs/dbraw/zinc/81/52/73/663815273.db2.gz LWBHFFNSAHLQDS-VXGBXAGGSA-N 1 0 377.208 2.808 20 0 GFADRO O=C(Nc1cc(F)c(F)cc1I)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000904358868 663831418 /nfs/dbraw/zinc/83/14/18/663831418.db2.gz AISWEHNZJPGZFT-ISROVCFRSA-N 1 0 393.175 2.584 20 0 GFADRO COc1sc(CN2CCC3(CO[C@@H](C[NH3+])C3)CC2)cc1Br ZINC000904392612 663832305 /nfs/dbraw/zinc/83/23/05/663832305.db2.gz VMENXARNNMODDG-LLVKDONJSA-N 1 0 375.332 2.849 20 0 GFADRO COC(=O)c1c(C)c(NC(=O)N2CC[C@H]3CC[C@@]32C[NH3+])ccc1Br ZINC000904442505 663834568 /nfs/dbraw/zinc/83/45/68/663834568.db2.gz DGEXFUJRQSNSJB-PIGZYNQJSA-N 1 0 396.285 2.889 20 0 GFADRO COc1cc(NC(=O)NCC2([NH3+])CC2)c(Br)cc1Br ZINC000904446319 663834790 /nfs/dbraw/zinc/83/47/90/663834790.db2.gz YUVKVTMGUAGTAW-UHFFFAOYSA-N 1 0 393.079 2.833 20 0 GFADRO O=C(Nc1cc(C(F)(F)F)cc(Br)n1)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000904486481 663836294 /nfs/dbraw/zinc/83/62/94/663836294.db2.gz ZVWVQRANAWFIAE-DJLDLDEBSA-N 1 0 379.180 2.877 20 0 GFADRO CNC(=O)c1cccc(NC(=O)N2CCC[C@@H](C)[C@@H]2CC[NH3+])c1Br ZINC000904486230 663836371 /nfs/dbraw/zinc/83/63/71/663836371.db2.gz YJUQDSXIIQQONP-RISCZKNCSA-N 1 0 397.317 2.790 20 0 GFADRO Cn1c(Cl)cnc1-c1csc(NC(=O)N2CCC[C@H]3CC[C@@]32C[NH3+])n1 ZINC000904521319 663836688 /nfs/dbraw/zinc/83/66/88/663836688.db2.gz NGZLPVDERMVTQM-MGPLVRAMSA-N 1 0 380.905 2.932 20 0 GFADRO COCCOc1ccc(NC(=O)N2CC[C@H]3CC[C@]32C[NH3+])cc1Br ZINC000904548415 663837259 /nfs/dbraw/zinc/83/72/59/663837259.db2.gz KIJCQHANWQJMNI-PXAZEXFGSA-N 1 0 398.301 2.819 20 0 GFADRO C[NH2+]CCN(C(=O)Nc1ccc(OCCOC)c(Br)c1)C(C)C ZINC000904547540 663837288 /nfs/dbraw/zinc/83/72/88/663837288.db2.gz DNNSIYNKGCWODN-UHFFFAOYSA-N 1 0 388.306 2.936 20 0 GFADRO COCCOc1ccc(NC(=O)N[C@](C)(C[NH3+])C2CC2)cc1Br ZINC000904550646 663837748 /nfs/dbraw/zinc/83/77/48/663837748.db2.gz HTCZWTIEUMINAO-MRXNPFEDSA-N 1 0 386.290 2.723 20 0 GFADRO COCCOc1ccc(NC(=O)NC[C@H]2CCC[NH2+]C2)cc1Br ZINC000904551469 663837925 /nfs/dbraw/zinc/83/79/25/663837925.db2.gz LXCCOADQUJMRMJ-LBPRGKRZSA-N 1 0 386.290 2.595 20 0 GFADRO COCCOCc1noc(C2(c3ccc(Br)cc3)CC[NH2+]CC2)n1 ZINC000904621652 663839008 /nfs/dbraw/zinc/83/90/08/663839008.db2.gz APOMZANEZVSFSE-UHFFFAOYSA-N 1 0 396.285 2.665 20 0 GFADRO [NH3+]CCn1cc(Br)cc(-c2nc([C@H]3CCCCS3)no2)c1=O ZINC000904638474 663839293 /nfs/dbraw/zinc/83/92/93/663839293.db2.gz FQKQPWBRBIVFAG-LLVKDONJSA-N 1 0 385.287 2.578 20 0 GFADRO Brc1ccc(-c2noc([C@@H]3CC[NH2+][C@@H]([C@H]4CCCO4)C3)n2)nc1 ZINC000904683422 663840934 /nfs/dbraw/zinc/84/09/34/663840934.db2.gz RHZNJBDCOUWFNQ-LERXQTSPSA-N 1 0 379.258 2.909 20 0 GFADRO CC(C)(C)[C@H]([NH3+])Cc1nc(CNC(=O)c2ccc(Br)cc2)no1 ZINC000904711899 663841781 /nfs/dbraw/zinc/84/17/81/663841781.db2.gz BNOMNCZOOZLHER-GFCCVEGCSA-N 1 0 381.274 2.678 20 0 GFADRO CCCNC(=O)CN1CCC([NH2+]C[C@H](O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000905036742 663850195 /nfs/dbraw/zinc/85/01/95/663850195.db2.gz UMQSCFYJWHDMIE-KRWDZBQOSA-N 1 0 388.339 2.607 20 0 GFADRO CCCNC(=O)CN1CCC([NH2+]C[C@@H](O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000905036744 663850286 /nfs/dbraw/zinc/85/02/86/663850286.db2.gz UMQSCFYJWHDMIE-QGZVFWFLSA-N 1 0 388.339 2.607 20 0 GFADRO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+]C[C@@H](O)CC2(O)CCCCC2)c1 ZINC000905287211 663863793 /nfs/dbraw/zinc/86/37/93/663863793.db2.gz ZHYUPRABTQPMSG-INIZCTEOSA-N 1 0 389.945 2.669 20 0 GFADRO O=S(=O)(CC1CC[NH2+]CC1)N1CCC[C@H]1c1ccc(Br)cc1 ZINC000905334272 663866199 /nfs/dbraw/zinc/86/61/99/663866199.db2.gz OXLIYNRNLNQATL-INIZCTEOSA-N 1 0 387.343 2.915 20 0 GFADRO CC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCC([C@H]3[NH2+]CC3(C)C)CC2)c1 ZINC000905355521 663867222 /nfs/dbraw/zinc/86/72/22/663867222.db2.gz FVLBACPVKYPJLR-QGZVFWFLSA-N 1 0 384.929 2.941 20 0 GFADRO Cc1nc2c(n1CCO)CC[C@@H]([NH2+]C[C@H](O)c1ccc(Cl)c(Cl)c1)C2 ZINC000905372335 663868259 /nfs/dbraw/zinc/86/82/59/663868259.db2.gz JXBFGXREQGPXBX-ACJLOTCBSA-N 1 0 384.307 2.671 20 0 GFADRO O[C@H](C[NH2+]Cc1ccc2ccc(Br)cc2c1)CC1(O)CCOCC1 ZINC000905420352 663870758 /nfs/dbraw/zinc/87/07/58/663870758.db2.gz YMZNQRBSVRTQBM-SFHVURJKSA-N 1 0 394.309 2.984 20 0 GFADRO C[C@@H]1C[C@]2(CC[C@H](C[NH2+]C[C@@H](O)c3ccc(F)c(Br)c3)O2)CO1 ZINC000905489339 663873793 /nfs/dbraw/zinc/87/37/93/663873793.db2.gz ZODSPDMBPBXTFA-MCPWVCTESA-N 1 0 388.277 2.938 20 0 GFADRO CS(=O)(=O)C1CCC(C[NH2+]C[C@H](O)c2ccccc2Br)CC1 ZINC000905510766 663875017 /nfs/dbraw/zinc/87/50/17/663875017.db2.gz ZXCYNQMMGVKPCL-ZUEPYMLJSA-N 1 0 390.343 2.676 20 0 GFADRO O[C@@H](C[NH2+]C[C@H]1CCN1C1CCOCC1)COc1c(Cl)cccc1Cl ZINC000905619881 663881941 /nfs/dbraw/zinc/88/19/41/663881941.db2.gz BICHFUHBRUWQIP-CABCVRRESA-N 1 0 389.323 2.576 20 0 GFADRO CC(C)(C)OC(=O)NC[C@H]1C[C@H]([NH2+]C[C@@](C)(O)C(F)(F)C(F)(F)F)C1 ZINC000905692120 663886604 /nfs/dbraw/zinc/88/66/04/663886604.db2.gz ZHFIOKLNVLOIQQ-GIPNMCIBSA-N 1 0 376.366 2.828 20 0 GFADRO O[C@@H](C[NH2+]CCOC1CCSCC1)COc1ccccc1C(F)(F)F ZINC000905707312 663887897 /nfs/dbraw/zinc/88/78/97/663887897.db2.gz YHDAQDJISOSLPP-ZDUSSCGKSA-N 1 0 379.444 2.947 20 0 GFADRO O[C@@H](C[NH2+]CCOC1CCSCC1)COc1ccc(Br)cc1 ZINC000905707334 663887939 /nfs/dbraw/zinc/88/79/39/663887939.db2.gz YNMTTZXDDDKSHQ-AWEZNQCLSA-N 1 0 390.343 2.691 20 0 GFADRO Cc1nn(C)c(NC(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1Br ZINC000905830444 663894300 /nfs/dbraw/zinc/89/43/00/663894300.db2.gz RKDJYGBCDDRUKJ-CQSZACIVSA-N 1 0 377.286 2.952 20 0 GFADRO NC(=O)[C@H]([NH2+]C[C@@H]1CC[C@@H](C(F)(F)F)O1)c1ccc(Br)cc1 ZINC000905850509 663896507 /nfs/dbraw/zinc/89/65/07/663896507.db2.gz IRNMGLZNGYIVCA-SDDRHHMPSA-N 1 0 381.192 2.675 20 0 GFADRO C[C@H]1CCC[N@H+](Cc2ccc(NS(=O)(=O)N=S3(=O)CCCC3)cc2)C1 ZINC000906061766 663917471 /nfs/dbraw/zinc/91/74/71/663917471.db2.gz LKXYMWUSNTVESG-HNNXBMFYSA-N 1 0 385.555 2.837 20 0 GFADRO C[NH+](C)CCc1ccccc1NS(=O)(=O)N=[S@](C)(=O)c1ccccc1 ZINC000906064108 663918368 /nfs/dbraw/zinc/91/83/68/663918368.db2.gz INJXEQNNJWYVNH-XMMPIXPASA-N 1 0 381.523 2.604 20 0 GFADRO C[C@@H](CNC(=O)c1nscc1I)C[NH+]1CCCCC1 ZINC000906344347 663938970 /nfs/dbraw/zinc/93/89/70/663938970.db2.gz OYVHKMQUVHPDJK-JTQLQIEISA-N 1 0 393.294 2.600 20 0 GFADRO C[NH+](C)CCCOc1ccc(CNC(=O)C[C@H](O)C(Cl)(Cl)Cl)cc1 ZINC000906560875 663958405 /nfs/dbraw/zinc/95/84/05/663958405.db2.gz PBVCOYHBTTYEDT-AWEZNQCLSA-N 1 0 397.730 2.755 20 0 GFADRO CCCC[NH+]1CCC(NC(=O)c2cc(Br)cn(C3CC3)c2=O)CC1 ZINC000906629605 663961730 /nfs/dbraw/zinc/96/17/30/663961730.db2.gz JZSHHSBSCHIOJS-UHFFFAOYSA-N 1 0 396.329 2.940 20 0 GFADRO C[NH+](C)CCCCNC(=O)c1ccc(Cn2cc(Br)cn2)s1 ZINC000906674670 663964451 /nfs/dbraw/zinc/96/44/51/663964451.db2.gz DVDHFQWGTZHSJO-UHFFFAOYSA-N 1 0 385.331 2.827 20 0 GFADRO CO[C@@H](C(=O)N(C)C[C@H]1CCC[N@H+](C)C1)c1ccc(Br)s1 ZINC000906710591 663966146 /nfs/dbraw/zinc/96/61/46/663966146.db2.gz OJZSNHJBTRPGTC-SMDDNHRTSA-N 1 0 375.332 2.998 20 0 GFADRO Cc1ccc(NC(=O)C[C@@H](O)C(Cl)(Cl)Cl)c(OCC[NH+](C)C)c1 ZINC000906762965 663969207 /nfs/dbraw/zinc/96/92/07/663969207.db2.gz IJSFEBNTHYTVAV-CYBMUJFWSA-N 1 0 383.703 2.995 20 0 GFADRO O=C(N1CC[C@@H](C[NH+]2CCCC2)C1)C(F)(F)c1ncccc1Br ZINC000906775876 663969827 /nfs/dbraw/zinc/96/98/27/663969827.db2.gz VRDQTWAPEVMHET-LBPRGKRZSA-N 1 0 388.256 2.880 20 0 GFADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2nscc2I)C1 ZINC000906840725 663975616 /nfs/dbraw/zinc/97/56/16/663975616.db2.gz SULFXMNMZVLMLW-JTQLQIEISA-N 1 0 393.294 2.552 20 0 GFADRO CC[NH+](CC)C[C@@H]1CCN(C(=O)c2cccn3ncc(Br)c23)C1 ZINC000906839817 663975640 /nfs/dbraw/zinc/97/56/40/663975640.db2.gz DHGPFCHYJNXPKV-ZDUSSCGKSA-N 1 0 379.302 2.901 20 0 GFADRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(F)(F)c2ncccc2Br)C1 ZINC000907065094 663998876 /nfs/dbraw/zinc/99/88/76/663998876.db2.gz NENRRHIMAXHZDI-DGCLKSJQSA-N 1 0 388.256 2.879 20 0 GFADRO CC(C)n1cc(Br)c(C(=O)N2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)n1 ZINC000907091306 664001114 /nfs/dbraw/zinc/00/11/14/664001114.db2.gz QUCSYFNZVXCAKQ-AEGPPILISA-N 1 0 399.333 2.550 20 0 GFADRO Cc1cc(C[NH+](C)C)cc(NC(=O)c2cn(C)nc2I)c1 ZINC000907145578 664006734 /nfs/dbraw/zinc/00/67/34/664006734.db2.gz FYAWYFPFUOZUTP-UHFFFAOYSA-N 1 0 398.248 2.647 20 0 GFADRO C[N@H+](CCC(=O)N[C@@H]1CCc2ncc(Br)n2C1)C1CCCCC1 ZINC000907279173 664018560 /nfs/dbraw/zinc/01/85/60/664018560.db2.gz RAIFEHDXUXFMHY-CYBMUJFWSA-N 1 0 383.334 2.731 20 0 GFADRO O=S(=O)(NC1CC[NH+](C2CCOCC2)CC1)c1cc(Cl)sc1Cl ZINC000907331028 664024023 /nfs/dbraw/zinc/02/40/23/664024023.db2.gz VCXSAJVPLVIEGP-UHFFFAOYSA-N 1 0 399.365 2.977 20 0 GFADRO CC(C)[NH+]1CCN(CCC(=O)N[C@@H](C)c2nc(C(F)(F)F)cs2)CC1 ZINC000907821000 664063868 /nfs/dbraw/zinc/06/38/68/664063868.db2.gz BDKFLKWESOKMAN-LBPRGKRZSA-N 1 0 378.464 2.755 20 0 GFADRO C[N@@H+]1C[C@@H](O)C[C@]1(C)C(=O)N1CCC(c2cccc(Br)c2)CC1 ZINC000907979955 664075338 /nfs/dbraw/zinc/07/53/38/664075338.db2.gz OHLDLAMYNYOSEP-FUHWJXTLSA-N 1 0 381.314 2.610 20 0 GFADRO CCC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(Br)cn(C2CC2)c1=O ZINC000908171207 664089333 /nfs/dbraw/zinc/08/93/33/664089333.db2.gz MGSWJDADTQGSLP-AWEZNQCLSA-N 1 0 382.302 2.550 20 0 GFADRO O=C(NCCCS(=O)(=O)c1ccc(Cl)cc1)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000908456538 664108007 /nfs/dbraw/zinc/10/80/07/664108007.db2.gz GQMBBMZNHBEIEJ-NVXWUHKLSA-N 1 0 384.929 2.637 20 0 GFADRO CC(C)[N@H+](CCO)CC1CCN(C(=O)c2cc(O)cc(Br)c2)CC1 ZINC000910882127 664230774 /nfs/dbraw/zinc/23/07/74/664230774.db2.gz INWRIVKRNBTULQ-UHFFFAOYSA-N 1 0 399.329 2.710 20 0 GFADRO C[NH+](C)C1(CNC(=O)c2c(Cl)ccc(I)c2F)CC1 ZINC000910932022 664231367 /nfs/dbraw/zinc/23/13/67/664231367.db2.gz VEPRWKIOULKLLL-UHFFFAOYSA-N 1 0 396.631 2.908 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)c1cc(Br)c(Br)[nH]1 ZINC000911686233 664253048 /nfs/dbraw/zinc/25/30/48/664253048.db2.gz YUZJFXMIDKWURY-GMSGAONNSA-N 1 0 379.096 2.882 20 0 GFADRO Cc1cc(C(=O)N2CCCC[C@H]2C[NH3+])nn1-c1ccccc1Br ZINC000911718453 664253959 /nfs/dbraw/zinc/25/39/59/664253959.db2.gz AWYVAWQVEWJDSX-ZDUSSCGKSA-N 1 0 377.286 2.897 20 0 GFADRO CC(C)c1ccc([C@H]([NH3+])CNC(=O)c2cc(=O)n(C)cc2Br)cc1 ZINC000911764229 664255757 /nfs/dbraw/zinc/25/57/57/664255757.db2.gz LJRNTHALUCCDKU-MRXNPFEDSA-N 1 0 392.297 2.701 20 0 GFADRO C[C@@H]([NH3+])C1CCN(C(=O)[C@@H](C)c2ccc(I)cc2)CC1 ZINC000911761096 664255775 /nfs/dbraw/zinc/25/57/75/664255775.db2.gz LNTMZHMHPIXRBM-NWDGAFQWSA-N 1 0 386.277 2.981 20 0 GFADRO C[C@H]1CCCN(C(=O)c2cc3ccc(Br)cc3c(=O)o2)[C@@H]1C[NH3+] ZINC000911821460 664257237 /nfs/dbraw/zinc/25/72/37/664257237.db2.gz GUWFYOFORDEWAL-IINYFYTJSA-N 1 0 379.254 2.755 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)c2cnn(Cc3ccccc3)c2Br)C1 ZINC000911827168 664257593 /nfs/dbraw/zinc/25/75/93/664257593.db2.gz UIJODPDPZXHFLM-UKRRQHHQSA-N 1 0 391.313 2.893 20 0 GFADRO CC(C)C[C@@](C)(C[NH3+])NC(=O)C[C@H]1c2cccc(Br)c2NC1=O ZINC000911830029 664257803 /nfs/dbraw/zinc/25/78/03/664257803.db2.gz NRKZIOLQIZLRMI-SJCJKPOMSA-N 1 0 382.302 2.755 20 0 GFADRO O=C(c1cccn2ncc(Br)c12)N1CCC([NH2+]CC2CC2)CC1 ZINC000911839687 664258454 /nfs/dbraw/zinc/25/84/54/664258454.db2.gz ADFMFRQCUUUTME-UHFFFAOYSA-N 1 0 377.286 2.701 20 0 GFADRO CC[NH2+]CC1CCN(C(=O)C[C@H]2C(=O)Nc3c2cccc3Br)CC1 ZINC000911863935 664259594 /nfs/dbraw/zinc/25/95/94/664259594.db2.gz LCBYHPZDIDRZRS-CQSZACIVSA-N 1 0 394.313 2.723 20 0 GFADRO C[C@H]([NH3+])[C@H]1CN(C(=O)c2cc(-c3ccc(Br)cc3)ns2)CCO1 ZINC000911882372 664260559 /nfs/dbraw/zinc/26/05/59/664260559.db2.gz JIIIRWWEBHACED-IINYFYTJSA-N 1 0 396.310 2.761 20 0 GFADRO C[NH+]1CCC(N(CCO)C(=O)CCOc2ccc(Cl)cc2Cl)CC1 ZINC000911935020 664262443 /nfs/dbraw/zinc/26/24/43/664262443.db2.gz NJNVKQLIPWLMOW-UHFFFAOYSA-N 1 0 375.296 2.677 20 0 GFADRO CC[C@H](Cc1cccc(Br)c1)C(=O)N(CCO)C1CC[NH+](C)CC1 ZINC000911938051 664262853 /nfs/dbraw/zinc/26/28/53/664262853.db2.gz AFMLRJAJFLKYRX-MRXNPFEDSA-N 1 0 397.357 2.933 20 0 GFADRO C[NH+]1CCC(N(CCO)C(=O)c2ccc(OC(F)(F)F)c(Cl)c2)CC1 ZINC000911947732 664263187 /nfs/dbraw/zinc/26/31/87/664263187.db2.gz NZLDXDAZYYZFMV-UHFFFAOYSA-N 1 0 380.794 2.767 20 0 GFADRO CCc1sc(C(=O)N(CCO)C2CC[NH+](C)CC2)cc1Br ZINC000911943476 664263269 /nfs/dbraw/zinc/26/32/69/664263269.db2.gz XHCKQKFKIZHHBH-UHFFFAOYSA-N 1 0 375.332 2.602 20 0 GFADRO CCCCOCCCNC(=O)[C@@H](N)c1ccccc1I ZINC000911959015 664263537 /nfs/dbraw/zinc/26/35/37/664263537.db2.gz VBGPEGSQCFBJMS-AWEZNQCLSA-N 1 0 390.265 2.614 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)[C@]12CC[NH2+][C@H]1CCCC2 ZINC000912044069 664268003 /nfs/dbraw/zinc/26/80/03/664268003.db2.gz ODHWVMDPJJTEJT-MAUKXSAKSA-N 1 0 394.313 2.735 20 0 GFADRO CCn1nccc1NC(=O)C1(c2ccc(Br)cc2)CC[NH2+]CC1 ZINC000912052490 664268700 /nfs/dbraw/zinc/26/87/00/664268700.db2.gz ZXKUENHNYOAIMA-UHFFFAOYSA-N 1 0 377.286 2.925 20 0 GFADRO CC(C)[C@@H]([NH3+])C(=O)NCCC(=O)N(Cc1cccs1)Cc1cccs1 ZINC000912083182 664269830 /nfs/dbraw/zinc/26/98/30/664269830.db2.gz NENRHDKEKNTXFA-QGZVFWFLSA-N 1 0 379.551 2.828 20 0 GFADRO OCCC[N@@H+]1CCC[C@@H]1CNc1ccc(-c2nnc(Br)o2)cc1 ZINC000912183519 664274578 /nfs/dbraw/zinc/27/45/78/664274578.db2.gz NTXXFECJGXEJTG-CQSZACIVSA-N 1 0 381.274 2.758 20 0 GFADRO [NH3+]CCCSCCC(=O)Nc1ccc(=O)n(Cc2ccccc2Cl)c1 ZINC000912425852 664285846 /nfs/dbraw/zinc/28/58/46/664285846.db2.gz MHNABMWREOXWLO-UHFFFAOYSA-N 1 0 379.913 2.961 20 0 GFADRO Cc1cc(Br)cc(C(=O)N2CCC(CO)([NH2+]CC(C)C)CC2)c1 ZINC000912587545 664293934 /nfs/dbraw/zinc/29/39/34/664293934.db2.gz VNSPICRXLBQLRB-UHFFFAOYSA-N 1 0 383.330 2.970 20 0 GFADRO Cc1ccc(Br)c(C(=O)N2CCC(CO)([NH2+]CC(C)C)CC2)c1 ZINC000912590492 664294245 /nfs/dbraw/zinc/29/42/45/664294245.db2.gz YJTOVGGIBZGWDV-UHFFFAOYSA-N 1 0 383.330 2.970 20 0 GFADRO CCC[N@H+](C)CC(C)(C)NC(=O)c1nscc1I ZINC000912718936 664299446 /nfs/dbraw/zinc/29/94/46/664299446.db2.gz IMNBVKGFKCGGIK-UHFFFAOYSA-N 1 0 381.283 2.598 20 0 GFADRO O=C(c1cnnn1-c1c(Cl)cccc1Cl)N1CCC([NH+]2CCC2)CC1 ZINC000912873001 664307066 /nfs/dbraw/zinc/30/70/66/664307066.db2.gz FIEDCHJNYNZUDS-UHFFFAOYSA-N 1 0 380.279 2.884 20 0 GFADRO O=C(c1cnnn1-c1cc(Cl)ccc1Cl)N1CCC([NH+]2CCC2)CC1 ZINC000912884632 664307280 /nfs/dbraw/zinc/30/72/80/664307280.db2.gz PFEOJITZGHTLLO-UHFFFAOYSA-N 1 0 380.279 2.884 20 0 GFADRO O=C(c1cnn(-c2ccc(Br)cc2)c1)N1CCC([NH+]2CCC2)CC1 ZINC000912881180 664307308 /nfs/dbraw/zinc/30/73/08/664307308.db2.gz QNMNRXZXNUWTCN-UHFFFAOYSA-N 1 0 389.297 2.945 20 0 GFADRO C[N@H+](CCC(=O)Nc1n[nH]cc1I)C1CCCCC1 ZINC000912887422 664307848 /nfs/dbraw/zinc/30/78/48/664307848.db2.gz BVYOUWBWJJWXDW-UHFFFAOYSA-N 1 0 376.242 2.607 20 0 GFADRO C[NH+]1C[C@@]2(C)CN(C(=O)Cc3csc(CCC(F)(F)F)n3)C[C@]2(C)C1 ZINC000913270376 664330363 /nfs/dbraw/zinc/33/03/63/664330363.db2.gz XDXZXRLJQDMOSD-HOTGVXAUSA-N 1 0 375.460 2.981 20 0 GFADRO C[N@@H+]1C[C@@]2(C)CN(C(=O)c3cc(Br)c4nccn4c3)C[C@@]2(C)C1 ZINC000913270426 664330382 /nfs/dbraw/zinc/33/03/82/664330382.db2.gz YBHNKRDNZZIIAP-CALCHBBNSA-N 1 0 377.286 2.511 20 0 GFADRO C[NH+]1C[C@]2(C)CN(C(=O)c3cn4ccc(Br)cc4n3)C[C@@]2(C)C1 ZINC000913278403 664331038 /nfs/dbraw/zinc/33/10/38/664331038.db2.gz GCWDQMZSQLVXHA-IAGOWNOFSA-N 1 0 377.286 2.511 20 0 GFADRO C[NH+]1CCC(n2cc(NC(=O)C[S@@](=O)c3ccc(Cl)cc3)cn2)CC1 ZINC000913658849 664347942 /nfs/dbraw/zinc/34/79/42/664347942.db2.gz BOBUYSXLHSQIME-RUZDIDTESA-N 1 0 380.901 2.550 20 0 GFADRO C[NH+](C)CC1(O)CCN(C(=O)c2nc3ccccc3cc2Br)CC1 ZINC000913676966 664348832 /nfs/dbraw/zinc/34/88/32/664348832.db2.gz UKFUDISPDDUBGR-UHFFFAOYSA-N 1 0 392.297 2.526 20 0 GFADRO C[NH+](C)CC1(O)CCN(C(=O)c2ccc(OC(F)(F)F)c(Cl)c2)CC1 ZINC000913676206 664348863 /nfs/dbraw/zinc/34/88/63/664348863.db2.gz NZJHJZSCTJMKCK-UHFFFAOYSA-N 1 0 380.794 2.767 20 0 GFADRO O=S(=O)(Cc1ccc(F)cc1Br)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000913934284 664367061 /nfs/dbraw/zinc/36/70/61/664367061.db2.gz HGEWGESMWPGSGB-KBPBESRZSA-N 1 0 391.306 2.634 20 0 GFADRO O=S(=O)(Cc1ccc(F)cc1Br)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000913934287 664367105 /nfs/dbraw/zinc/36/71/05/664367105.db2.gz HGEWGESMWPGSGB-ZIAGYGMSSA-N 1 0 391.306 2.634 20 0 GFADRO C[C@@H](CNC(=O)N1CCC[C@@H]1c1ncc(Br)cn1)C[NH+]1CCCC1 ZINC000914243348 664389588 /nfs/dbraw/zinc/38/95/88/664389588.db2.gz JMCKQURZXLZBGW-DZGCQCFKSA-N 1 0 396.333 2.818 20 0 GFADRO C[N@@H+]1CCC[C@@H]2CN(S(=O)(=O)Cc3ccsc3Br)CC[C@H]21 ZINC000914259133 664391678 /nfs/dbraw/zinc/39/16/78/664391678.db2.gz LUONJRSTEGKJAZ-DGCLKSJQSA-N 1 0 393.372 2.757 20 0 GFADRO Cc1sc(C)c(S(=O)(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)c1C ZINC000914262855 664392243 /nfs/dbraw/zinc/39/22/43/664392243.db2.gz CHQFSCGDXSERCE-IAGOWNOFSA-N 1 0 386.583 2.720 20 0 GFADRO C[N@@H+](Cc1cccnc1)C[C@H]1CCN(S(=O)(=O)CCCC(C)(F)F)C1 ZINC000915057619 664420103 /nfs/dbraw/zinc/42/01/03/664420103.db2.gz LEQMVKMDJRYEIR-MRXNPFEDSA-N 1 0 375.485 2.601 20 0 GFADRO C[N@@H+](Cc1cccnc1)C[C@@H]1CCN(S(=O)(=O)CCCC(C)(F)F)C1 ZINC000915057617 664420215 /nfs/dbraw/zinc/42/02/15/664420215.db2.gz LEQMVKMDJRYEIR-INIZCTEOSA-N 1 0 375.485 2.601 20 0 GFADRO C[C@H](NS(=O)(=O)C[C@@]12CC[N@H+](C1)CCC2)c1nc(C(F)(F)F)cs1 ZINC000915058930 664420229 /nfs/dbraw/zinc/42/02/29/664420229.db2.gz STLAOUIWWBBEPQ-GWCFXTLKSA-N 1 0 383.461 2.628 20 0 GFADRO CC(C)[C@@H](C[NH+](C)C)NC(=O)/C=C\c1ccc(I)o1 ZINC000915623506 664435874 /nfs/dbraw/zinc/43/58/74/664435874.db2.gz HAJHZDHZDVJFQD-XYLWRLHESA-N 1 0 376.238 2.600 20 0 GFADRO CCOC(=O)N[C@H]1CCC[N@H+](C[C@@H](O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000915683111 664437537 /nfs/dbraw/zinc/43/75/37/664437537.db2.gz OYNSCIGMTIKQIQ-QWHCGFSZSA-N 1 0 391.295 2.944 20 0 GFADRO O=C(Nc1cc2c(cc1Br)OCCO2)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000916638663 664467430 /nfs/dbraw/zinc/46/74/30/664467430.db2.gz JQBODEZGIOFWHC-OCCSQVGLSA-N 1 0 396.285 2.969 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(S(=O)(=O)c3cccc(Cl)c3Br)C[C@@H]2C1 ZINC000916661876 664468258 /nfs/dbraw/zinc/46/82/58/664468258.db2.gz IKEFCWZIKKHVGK-MNOVXSKESA-N 1 0 393.734 2.675 20 0 GFADRO COc1cc(Cl)c(S(=O)(=O)N2C[C@@H]3CC[N@H+](C)C[C@@H]3C2)cc1Cl ZINC000916666290 664468845 /nfs/dbraw/zinc/46/88/45/664468845.db2.gz GDZFXWWZTGOPCP-WDEREUQCSA-N 1 0 379.309 2.574 20 0 GFADRO O=S(=O)(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(OC(F)F)c(Cl)c1 ZINC000917654142 664487983 /nfs/dbraw/zinc/48/79/83/664487983.db2.gz BMVWYSZZLATOMR-MNOVXSKESA-N 1 0 380.844 2.847 20 0 GFADRO COCCN(CC1CC[NH+](C)CC1)S(=O)(=O)c1cscc1C(F)F ZINC000918511793 664500239 /nfs/dbraw/zinc/50/02/39/664500239.db2.gz KDGOBFXZBYKVKH-UHFFFAOYSA-N 1 0 382.498 2.665 20 0 GFADRO C[NH+](C)Cc1ccc(S(=O)(=O)N2CC[C@@]3(CC(F)(F)C3(F)F)C2)cc1 ZINC000920722459 664529368 /nfs/dbraw/zinc/52/93/68/664529368.db2.gz DUCDGQANMLFVSK-CQSZACIVSA-N 1 0 380.407 2.803 20 0 GFADRO C[C@@H]1CCC[C@](CNC(=O)c2ccc(Cl)c(S(C)(=O)=O)c2)([NH+](C)C)C1 ZINC000920742551 664530151 /nfs/dbraw/zinc/53/01/51/664530151.db2.gz VMOBZNTWLKYBOU-ACJLOTCBSA-N 1 0 386.945 2.984 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CNC(=S)NC[C@@H](O)c1ccccc1C(F)(F)F ZINC000920997343 664535140 /nfs/dbraw/zinc/53/51/40/664535140.db2.gz UWUGRJHMNLPTGH-SWLSCSKDSA-N 1 0 375.460 2.687 20 0 GFADRO Cc1cc(Br)c(S(=O)(=O)NCc2cc(N(C)C)cc[nH+]2)s1 ZINC000921024993 664535625 /nfs/dbraw/zinc/53/56/25/664535625.db2.gz KPSPEAPURVRDDG-UHFFFAOYSA-N 1 0 390.328 2.759 20 0 GFADRO C[NH+](C)CC[C@@H](NS(=O)(=O)c1ccc2ncsc2c1)c1cccnc1 ZINC000921480307 664550151 /nfs/dbraw/zinc/55/01/51/664550151.db2.gz FMYCZVPZKQOQFB-OAHLLOKOSA-N 1 0 376.507 2.663 20 0 GFADRO COc1ccc([C@@H](C[NH2+]Cc2nc(Br)c[nH]2)N(C)C)cc1OC ZINC000921482866 664550284 /nfs/dbraw/zinc/55/02/84/664550284.db2.gz XKNNHFANQZUUFB-GFCCVEGCSA-N 1 0 383.290 2.582 20 0 GFADRO C[NH+](C)CC[C@@H](NS(=O)(=O)c1cnc(Cl)c(Cl)c1)c1cccnc1 ZINC000921481841 664550347 /nfs/dbraw/zinc/55/03/47/664550347.db2.gz VFADULBZIBHSIR-CQSZACIVSA-N 1 0 389.308 2.755 20 0 GFADRO C[C@@H](NCc1nc(Br)c[nH]1)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000921546389 664552959 /nfs/dbraw/zinc/55/29/59/664552959.db2.gz ILNWNCGWHPJFCK-LLVKDONJSA-N 1 0 393.285 2.680 20 0 GFADRO CCn1c(C[NH2+][C@H]2CCC[C@H](O)C2)nc(Br)c1Br ZINC000921587153 664556097 /nfs/dbraw/zinc/55/60/97/664556097.db2.gz QKJWQFUKVRKABM-IUCAKERBSA-N 1 0 381.112 2.821 20 0 GFADRO COc1cc(C[NH2+]Cc2c3c(nn2C)CCOC3)cc(Br)c1OC ZINC000921692148 664560915 /nfs/dbraw/zinc/56/09/15/664560915.db2.gz QQHBTFMVIWOCLH-UHFFFAOYSA-N 1 0 396.285 2.562 20 0 GFADRO C[C@H](C[NH2+]Cc1c2c(nn1C)CCOC2)Oc1ccc(Br)cc1 ZINC000921799789 664569460 /nfs/dbraw/zinc/56/94/60/664569460.db2.gz QOIJPJAPVNRLCS-GFCCVEGCSA-N 1 0 380.286 2.812 20 0 GFADRO Cc1nc(CNc2cc(C(N)=O)ccc2C[NH+](C)C)sc1Br ZINC000921906618 664575712 /nfs/dbraw/zinc/57/57/12/664575712.db2.gz OUIDAMYAHXWJPB-UHFFFAOYSA-N 1 0 383.315 2.987 20 0 GFADRO O=S(=O)(Cc1cc(Cl)cc(Cl)c1)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000921908195 664575716 /nfs/dbraw/zinc/57/57/16/664575716.db2.gz LGQAFLLOBTUMPY-INIZCTEOSA-N 1 0 393.336 2.666 20 0 GFADRO O[C@@H](C[NH2+]Cc1nc(Br)c[nH]1)c1cccc(Br)c1 ZINC000922106876 664585864 /nfs/dbraw/zinc/58/58/64/664585864.db2.gz SQURRVDWSADITG-JTQLQIEISA-N 1 0 375.064 2.758 20 0 GFADRO CS(=O)(=O)CCCC[NH2+]Cc1cc2c(cc(F)cc2Br)[nH]1 ZINC000922197286 664589837 /nfs/dbraw/zinc/58/98/37/664589837.db2.gz CYCRKQKOZBPJDA-UHFFFAOYSA-N 1 0 377.279 2.984 20 0 GFADRO Cc1c(Br)cccc1CC[NH2+]Cc1ccc(S(N)(=O)=O)s1 ZINC000922683361 664610636 /nfs/dbraw/zinc/61/06/36/664610636.db2.gz IXXXAOVRUHUZFU-UHFFFAOYSA-N 1 0 389.340 2.799 20 0 GFADRO Cc1c(Br)cccc1CC[NH2+]Cc1cn(C[C@H]2CCCO2)nn1 ZINC000922683904 664610800 /nfs/dbraw/zinc/61/08/00/664610800.db2.gz NDBBACWZRJMTQF-MRXNPFEDSA-N 1 0 379.302 2.860 20 0 GFADRO COc1cc(Br)ccc1C(=O)N1CCC([NH2+]C2CCOCC2)CC1 ZINC000922866077 664617094 /nfs/dbraw/zinc/61/70/94/664617094.db2.gz ZLBJTHNZZARMRF-UHFFFAOYSA-N 1 0 397.313 2.831 20 0 GFADRO CCOc1c(Br)cc(C[NH2+][C@H]2CCc3nnn(C)c3C2)cc1OC ZINC000922997341 664620603 /nfs/dbraw/zinc/62/06/03/664620603.db2.gz BISNMCTXACRUPA-LBPRGKRZSA-N 1 0 395.301 2.632 20 0 GFADRO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)C[C@@H]1Sc2ccc(Cl)cc2NC1=O ZINC000923306386 664627809 /nfs/dbraw/zinc/62/78/09/664627809.db2.gz JZHWAWKDAOHZPA-ZENOOKHLSA-N 1 0 379.913 2.838 20 0 GFADRO CCC[N@@H+]1CC[C@@H](NC(=O)N2CCC[C@@H]2c2ncc(Br)cn2)C1 ZINC000923318058 664628110 /nfs/dbraw/zinc/62/81/10/664628110.db2.gz DAQTVPPXRMLOTR-ZIAGYGMSSA-N 1 0 382.306 2.570 20 0 GFADRO CC(C)(C)[C@@H](CN)[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000923371588 664629073 /nfs/dbraw/zinc/62/90/73/664629073.db2.gz ZFQJITYYNQOIPI-BXUZGUMPSA-N 1 0 379.726 2.805 20 0 GFADRO OCC[NH2+][C@H]1CCCN(Cc2ncc(-c3ccccc3Br)o2)C1 ZINC000923406446 664630039 /nfs/dbraw/zinc/63/00/39/664630039.db2.gz LYPLQGVBCYYDIF-ZDUSSCGKSA-N 1 0 380.286 2.650 20 0 GFADRO COc1cc(Br)c(C[NH+]2CCC3(CO[C@H](C[NH3+])C3)CC2)cc1OC ZINC000923454185 664630907 /nfs/dbraw/zinc/63/09/07/664630907.db2.gz FPCAYLGDGOHGHV-AWEZNQCLSA-N 1 0 399.329 2.796 20 0 GFADRO C[C@@H]1CN(Cc2nc(Cc3cccc(Br)c3)no2)CC[C@@H]1C[NH3+] ZINC000923496923 664631322 /nfs/dbraw/zinc/63/13/22/664631322.db2.gz KHQVWGGENKUMBL-TZMCWYRMSA-N 1 0 379.302 2.840 20 0 GFADRO C[C@@H]1CN(CC(=O)Nc2c(F)cc(F)cc2Br)CC[C@@H]1C[NH3+] ZINC000923500495 664631440 /nfs/dbraw/zinc/63/14/40/664631440.db2.gz PDRNLTKJIYQRPJ-NXEZZACHSA-N 1 0 376.245 2.583 20 0 GFADRO CC(C)[NH+]1CCC(CCNC(=O)NCc2cnc(Br)cn2)CC1 ZINC000923547026 664633638 /nfs/dbraw/zinc/63/36/38/664633638.db2.gz IWUQELJPNNGOJV-UHFFFAOYSA-N 1 0 384.322 2.549 20 0 GFADRO COc1cc(S(=O)(=O)N2CCC([C@@H]3CCC[NH2+]CC3)CC2)cnc1Cl ZINC000923701912 664636418 /nfs/dbraw/zinc/63/64/18/664636418.db2.gz KPBQRRDXNZPHMO-CYBMUJFWSA-N 1 0 387.933 2.534 20 0 GFADRO COc1ccc2nc(Cl)ccc2c1S(=O)(=O)N1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923701588 664636485 /nfs/dbraw/zinc/63/64/85/664636485.db2.gz VTMIVDGSGOOXDM-NWDGAFQWSA-N 1 0 383.901 2.502 20 0 GFADRO CN(C1CC[NH2+]CC1)S(=O)(=O)N1CCC[C@@]1(C)Cc1cc(Cl)cs1 ZINC000923730876 664637108 /nfs/dbraw/zinc/63/71/08/664637108.db2.gz HJZJVLVKGOJPLI-INIZCTEOSA-N 1 0 391.990 2.727 20 0 GFADRO C[C@@H](OC(=O)COC1CC[NH+](C)CC1)C(=O)Nc1cccc(Cl)c1Cl ZINC000923795553 664638100 /nfs/dbraw/zinc/63/81/00/664638100.db2.gz QEDIMXXWTRNMIQ-LLVKDONJSA-N 1 0 389.279 2.974 20 0 GFADRO CC(C)c1ncc(Br)c(-c2nc([C@@H]3C[N@@H+]4CCC[C@@H]4CO3)no2)n1 ZINC000923961709 664641883 /nfs/dbraw/zinc/64/18/83/664641883.db2.gz XRUFQDHHSWYLJR-PWSUYJOCSA-N 1 0 394.273 2.948 20 0 GFADRO COc1ccc([C@H](C[NH2+][C@H](C)C2(Br)CC2)N2CCOCC2)cc1 ZINC000924547728 664657094 /nfs/dbraw/zinc/65/70/94/664657094.db2.gz UCZYHRGCVRPTJS-PBHICJAKSA-N 1 0 383.330 2.974 20 0 GFADRO C[C@H]([NH2+][C@@H](C)C1(Br)CC1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000924748358 664660850 /nfs/dbraw/zinc/66/08/50/664660850.db2.gz QVPMNHBJPMTXIK-RYUDHWBXSA-N 1 0 375.332 2.904 20 0 GFADRO CSC[C@@H]1NC(=O)N(C[C@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)C1=O ZINC000924768847 664661379 /nfs/dbraw/zinc/66/13/79/664661379.db2.gz HUWCGGWYKBCIJB-QWHCGFSZSA-N 1 0 375.416 2.592 20 0 GFADRO O[C@@H](C[NH2+][C@H]1CCOC12CCOCC2)COc1cccc(Cl)c1Cl ZINC000924787697 664661834 /nfs/dbraw/zinc/66/18/34/664661834.db2.gz ZHSCWRPCGIPCPI-WFASDCNBSA-N 1 0 376.280 2.661 20 0 GFADRO C[C@H](NCc1cccnc1N1CC[NH+](C)CC1)c1cccc(Br)n1 ZINC000924806859 664662140 /nfs/dbraw/zinc/66/21/40/664662140.db2.gz FYLBZDQYGOAFFP-AWEZNQCLSA-N 1 0 390.329 2.842 20 0 GFADRO CC(C)(C)NS(=O)(=O)CC[NH2+][C@@H]1CCCc2ncc(Br)cc21 ZINC000924832375 664662477 /nfs/dbraw/zinc/66/24/77/664662477.db2.gz HTXCUIQPJPAJGI-CYBMUJFWSA-N 1 0 390.347 2.529 20 0 GFADRO C[C@@H]([NH2+][C@@H](C)C1(Br)CC1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000924925677 664664056 /nfs/dbraw/zinc/66/40/56/664664056.db2.gz VIVZBJUADXWXHT-NEPJUHHUSA-N 1 0 375.332 2.904 20 0 GFADRO C[C@@H]([NH2+]CCC(=O)N(C)Cc1ccccc1Br)c1ccnnc1 ZINC000925029354 664665486 /nfs/dbraw/zinc/66/54/86/664665486.db2.gz QYFJHQDKLCBYRF-CYBMUJFWSA-N 1 0 377.286 2.938 20 0 GFADRO O=C(N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12)N1CC[C@@]2(CC(F)(F)C2(F)F)C1 ZINC000925169120 664667938 /nfs/dbraw/zinc/66/79/38/664667938.db2.gz IZEXLEGJIUUOFF-MBNYWOFBSA-N 1 0 381.439 2.642 20 0 GFADRO CCC[N@@H+]1CC[C@@H](N2C(=O)N[C@@H](c3ccc(OC)c(Br)c3)C2=O)C1 ZINC000925359268 664670853 /nfs/dbraw/zinc/67/08/53/664670853.db2.gz OAVVBGZJUBWCHH-DOMZBBRYSA-N 1 0 396.285 2.535 20 0 GFADRO COCc1nc2n(n1)C[C@H]([NH2+][C@H]1CCCc3ncc(Br)cc31)CC2 ZINC000925516921 664672857 /nfs/dbraw/zinc/67/28/57/664672857.db2.gz JYLGOSSEFMDHOL-DOMZBBRYSA-N 1 0 392.301 2.564 20 0 GFADRO C[C@H]([NH2+]CCN(C)S(=O)(=O)c1cccs1)c1ccnn1CC1CCC1 ZINC000925577854 664673270 /nfs/dbraw/zinc/67/32/70/664673270.db2.gz XOUBJOPISUEBFY-AWEZNQCLSA-N 1 0 382.555 2.716 20 0 GFADRO Brc1cncc(Br)c1CN[C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000925677899 664673962 /nfs/dbraw/zinc/67/39/62/664673962.db2.gz AMPRZPLXULEGCR-HRQVCAOESA-N 1 0 387.119 2.693 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCN(c2ccc(Cl)cc2)C1)C1CCN(S(C)(=O)=O)CC1 ZINC000925703547 664674123 /nfs/dbraw/zinc/67/41/23/664674123.db2.gz HCYPKHLHSZGSEV-WMLDXEAASA-N 1 0 385.961 2.568 20 0 GFADRO C[C@@H]([NH2+]CC[C@H]1CNCCS1(=O)=O)c1ccc(SCC(F)(F)F)cc1 ZINC000925791749 664674937 /nfs/dbraw/zinc/67/49/37/664674937.db2.gz GSTJCOIXQYPSEG-DOMZBBRYSA-N 1 0 396.500 2.768 20 0 GFADRO C[NH+](C)CC[C@H](NC(=O)N1CCS[C@@H](C(F)(F)F)C1)c1cccnc1 ZINC000925921502 664677490 /nfs/dbraw/zinc/67/74/90/664677490.db2.gz SYEVKTXJNZIIJH-UONOGXRCSA-N 1 0 376.448 2.764 20 0 GFADRO Cc1cc(Br)ncc1NC(=O)N1CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000926057586 664680178 /nfs/dbraw/zinc/68/01/78/664680178.db2.gz YWQVBQQBTGURPZ-BDAKNGLRSA-N 1 0 381.196 2.896 20 0 GFADRO Cc1cnc(Br)cc1NC(=O)N1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000926094323 664681562 /nfs/dbraw/zinc/68/15/62/664681562.db2.gz HVZLLZAYQNFSIX-LBPRGKRZSA-N 1 0 383.290 2.514 20 0 GFADRO [NH3+]C1CCN(CCNC(=O)N[C@@H](c2ccc(Cl)cc2)C(F)(F)F)CC1 ZINC000926097274 664681590 /nfs/dbraw/zinc/68/15/90/664681590.db2.gz OVKNIZXUYHQKAG-AWEZNQCLSA-N 1 0 378.826 2.666 20 0 GFADRO [NH3+][C@@H]1CC[C@H](CNC(=O)Nc2ccnn2Cc2ccc(Br)cc2)C1 ZINC000926099058 664681729 /nfs/dbraw/zinc/68/17/29/664681729.db2.gz NNKGOYVGTYDTFI-DZGCQCFKSA-N 1 0 392.301 2.943 20 0 GFADRO COC(=O)c1cc(NC(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)cc(Cl)c1F ZINC000926104030 664681737 /nfs/dbraw/zinc/68/17/37/664681737.db2.gz DBYZOWKURMRIIO-PSASIEDQSA-N 1 0 383.729 2.619 20 0 GFADRO CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)c1ccsc1C(F)(F)F)C2 ZINC000926137272 664682804 /nfs/dbraw/zinc/68/28/04/664682804.db2.gz CAJIPKZYYVWEIT-JXFSHQFZSA-N 1 0 376.444 2.976 20 0 GFADRO Cn1c(Cl)cnc1-c1csc(NC(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)n1 ZINC000926170431 664683784 /nfs/dbraw/zinc/68/37/84/664683784.db2.gz DNKLZNHUYKZHAS-RNFRBKRXSA-N 1 0 394.810 2.550 20 0 GFADRO C[N@@H+]1CC[C@](O)(CN[C@@H](c2ccc(Br)cc2)c2cccnc2)C1 ZINC000926172264 664683953 /nfs/dbraw/zinc/68/39/53/664683953.db2.gz CJVMLNIGHOOMBS-ROUUACIJSA-N 1 0 376.298 2.590 20 0 GFADRO C[C@H]1CN(C(=O)Nc2ccc(I)cc2F)CC[C@H]1C[NH3+] ZINC000926174404 664683983 /nfs/dbraw/zinc/68/39/83/664683983.db2.gz RFIXRDYAYQDDGX-UWVGGRQHSA-N 1 0 391.228 2.879 20 0 GFADRO COCCO[C@@H]1COCC[C@H]1[NH2+][C@@H]1CCCc2ncc(Br)cc21 ZINC000926217271 664684772 /nfs/dbraw/zinc/68/47/72/664684772.db2.gz RHTXBGLELCZXDQ-BRWVUGGUSA-N 1 0 385.302 2.632 20 0 GFADRO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NC(=O)C(=O)c3ccc(Cl)s3)C2)[C@@H]1C(C)C ZINC000926244498 664685333 /nfs/dbraw/zinc/68/53/33/664685333.db2.gz OZDIIXYFAMRFNL-ZRUPIONWSA-N 1 0 384.929 2.570 20 0 GFADRO CCn1nc(C)c([C@@H](C)[NH2+]C[C@H](CO)Cc2cccc(Br)c2)n1 ZINC000926284024 664686201 /nfs/dbraw/zinc/68/62/01/664686201.db2.gz JYYXOPRPQUJNDU-IUODEOHRSA-N 1 0 381.318 2.871 20 0 GFADRO COc1cc(Br)cc(CNC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000926284253 664686333 /nfs/dbraw/zinc/68/63/33/664686333.db2.gz AWNJMHDYLPHLFY-CABCVRRESA-N 1 0 382.302 2.836 20 0 GFADRO O=S(=O)(NCCC[NH2+][C@@H](C1CC1)[C@H]1CCCOC1)c1ccccc1Cl ZINC000926353705 664688433 /nfs/dbraw/zinc/68/84/33/664688433.db2.gz LQYOMOFDDUCERW-YJBOKZPZSA-N 1 0 386.945 2.803 20 0 GFADRO C[C@H]1CC2(CC([NH2+]CCNS(=O)(=O)c3cccc(Cl)c3Cl)C2)CO1 ZINC000926412399 664689611 /nfs/dbraw/zinc/68/96/11/664689611.db2.gz ZYVHKMRBTGTWEN-FZWSLVFFSA-N 1 0 393.336 2.819 20 0 GFADRO COc1ccc(CN2CC[C@@H]([NH2+][C@@H](C)C3(Br)CC3)C2=O)c(OC)c1 ZINC000926422197 664689923 /nfs/dbraw/zinc/68/99/23/664689923.db2.gz DCRVGWDIJQYSIC-SWLSCSKDSA-N 1 0 397.313 2.710 20 0 GFADRO C[C@@H](C[C@@H]1CCC(=O)N1)[NH2+]Cc1c(Br)cncc1Br ZINC000926499716 664690805 /nfs/dbraw/zinc/69/08/05/664690805.db2.gz AVQUGXKPVQTFQP-IUCAKERBSA-N 1 0 391.107 2.753 20 0 GFADRO C[C@@H]([NH2+][C@H]1CCc2cc(F)c(F)c(F)c21)C1CCN(S(C)(=O)=O)CC1 ZINC000926535253 664691588 /nfs/dbraw/zinc/69/15/88/664691588.db2.gz PDJMUAAZNISHTN-YGRLFVJLSA-N 1 0 376.444 2.741 20 0 GFADRO C[C@H]([NH2+]C[C@H]1CN(C(=O)OC(C)(C)C)CCCO1)C1(Br)CC1 ZINC000926546641 664692352 /nfs/dbraw/zinc/69/23/52/664692352.db2.gz VSEGAKJXXHUTQE-STQMWFEESA-N 1 0 377.323 2.918 20 0 GFADRO Cc1c(Br)cccc1C[C@H](CO)C[NH2+][C@@H]1C[C@H](C)n2ncnc21 ZINC000926544816 664692356 /nfs/dbraw/zinc/69/23/56/664692356.db2.gz QYJYVKAUJISRQM-DETPVDSQSA-N 1 0 379.302 2.796 20 0 GFADRO Brc1ccc([C@@H]([NH2+][C@@H]2CCc3nnnn3CC2)c2cccnc2)cc1 ZINC000926607117 664693716 /nfs/dbraw/zinc/69/37/16/664693716.db2.gz RERLXBFWTVYUPK-SJLPKXTDSA-N 1 0 399.296 2.915 20 0 GFADRO CN1CCOC[C@@H]1C[NH2+][C@H](c1ccc(Br)cc1)c1cccnc1 ZINC000926761263 664696318 /nfs/dbraw/zinc/69/63/18/664696318.db2.gz VFKRQQIPHCSFSQ-ZWKOTPCHSA-N 1 0 376.298 2.854 20 0 GFADRO O=C1CC[C@@H]([NH2+][C@H]2CCCc3ncc(Br)cc32)[C@H]([C@H]2CCCO2)N1 ZINC000926881372 664698462 /nfs/dbraw/zinc/69/84/62/664698462.db2.gz UHXCIWFLMBEAPR-BVIKNXMNSA-N 1 0 394.313 2.637 20 0 GFADRO C[C@@H]([NH2+][C@@H]1CCC(=O)N(C2CC2)[C@H]1c1ccnn1C)C1(Br)CC1 ZINC000926886099 664698682 /nfs/dbraw/zinc/69/86/82/664698682.db2.gz BEXPPVDKJJDHCZ-AXAPSJFSSA-N 1 0 381.318 2.520 20 0 GFADRO C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+]C[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000926947901 664699347 /nfs/dbraw/zinc/69/93/47/664699347.db2.gz UEDUIYIKGKGCSK-VZAMPYOESA-N 1 0 383.286 2.560 20 0 GFADRO CN(Cc1ncc(Br)cn1)C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000926973125 664700252 /nfs/dbraw/zinc/70/02/52/664700252.db2.gz IDMKFRJTCBPKQA-ZDUSSCGKSA-N 1 0 381.318 2.852 20 0 GFADRO Cn1cc(C[C@@H]2CCC[C@H]2[NH2+]CC2(n3cc(Br)cn3)CC2)cn1 ZINC000927006228 664702032 /nfs/dbraw/zinc/70/20/32/664702032.db2.gz QEQHMJUXNLTUTF-GOEBONIOSA-N 1 0 378.318 2.869 20 0 GFADRO C[C@H]([NH2+][C@H]1C[C@H](O)C12CCOCC2)c1ccc(I)cc1 ZINC000927160377 664705270 /nfs/dbraw/zinc/70/52/70/664705270.db2.gz FZYDGLAAKQKVAG-CQDKDKBSSA-N 1 0 387.261 2.872 20 0 GFADRO [NH3+][C@@H]1CN(C(=O)C(=O)Nc2cccc(Cl)c2Cl)CC[C@@H]1C(F)(F)F ZINC000927848557 664716750 /nfs/dbraw/zinc/71/67/50/664716750.db2.gz SIWZTYXCJCTTQR-IONNQARKSA-N 1 0 384.185 2.670 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)NC[C@]23CCC[C@H]2[NH2+]CC3)cc1Br ZINC000927867996 664716870 /nfs/dbraw/zinc/71/68/70/664716870.db2.gz BYWYHWXLJDAVLV-CRAIPNDOSA-N 1 0 394.313 2.653 20 0 GFADRO C[C@H]1[C@H](NC(=O)C2(c3ccc(Br)cc3)CCOCC2)CC[N@@H+]1C ZINC000928447107 664732727 /nfs/dbraw/zinc/73/27/27/664732727.db2.gz HOOIDWQICPONEM-XJKSGUPXSA-N 1 0 381.314 2.706 20 0 GFADRO C[N@@H+]1CC[C@@H]1CNC(=O)CCc1ncc(-c2ccccc2Br)o1 ZINC000928565774 664735110 /nfs/dbraw/zinc/73/51/10/664735110.db2.gz MJRPAWJVALJIRY-GFCCVEGCSA-N 1 0 378.270 2.857 20 0 GFADRO CCOc1cc(Br)c(CC(=O)NC[C@H]2CC[N@@H+]2C)cc1OCC ZINC000928568591 664735185 /nfs/dbraw/zinc/73/51/85/664735185.db2.gz PCWJKFPDAVDYLN-CYBMUJFWSA-N 1 0 385.302 2.609 20 0 GFADRO C[C@](O)(C[NH+]1CCC(NC(=O)c2ccsc2)CC1)C(F)(F)C(F)(F)F ZINC000929342393 664750683 /nfs/dbraw/zinc/75/06/83/664750683.db2.gz PWLUQAXRXAFQKA-ZDUSSCGKSA-N 1 0 386.386 2.891 20 0 GFADRO COC(=O)c1cc(Br)c(C[NH2+][C@@H](C)Cn2cccn2)cc1OC ZINC000929588410 664754612 /nfs/dbraw/zinc/75/46/12/664754612.db2.gz SVNYIYXBTPUIMN-NSHDSACASA-N 1 0 382.258 2.619 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)N1CCN(C)CC[N@@H+](C)CC1 ZINC000929739822 664756853 /nfs/dbraw/zinc/75/68/53/664756853.db2.gz GWGUCZFXVJXFKL-UHFFFAOYSA-N 1 0 383.334 2.777 20 0 GFADRO COC(=O)c1cc(Br)c(C[N@@H+]2CC[C@@]3(CCOC3)C2)cc1OC ZINC000929828563 664758373 /nfs/dbraw/zinc/75/83/73/664758373.db2.gz YCKDTXLSDZITNO-QGZVFWFLSA-N 1 0 384.270 2.857 20 0 GFADRO CC[N@H+](C[C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 ZINC000929867326 664758866 /nfs/dbraw/zinc/75/88/66/664758866.db2.gz MBMRCPCUONXHNE-SQWLQELKSA-N 1 0 377.428 2.678 20 0 GFADRO O=C(Nc1ccc(Br)cc1)C1CC[NH+](CCO[C@@H]2CCOC2)CC1 ZINC000929926248 664759984 /nfs/dbraw/zinc/75/99/84/664759984.db2.gz IGNLCCPDOBUKFM-QGZVFWFLSA-N 1 0 397.313 2.905 20 0 GFADRO Cc1ccc(S(=O)(=O)NC[C@@H]2CCC[N@H+](CCc3ccns3)C2)cc1 ZINC000929951064 664760255 /nfs/dbraw/zinc/76/02/55/664760255.db2.gz OCNUQNDFMYJUHF-INIZCTEOSA-N 1 0 379.551 2.685 20 0 GFADRO CC[C@@H](NC(=O)C(=O)NCc1cc(N(C)C)cc[nH+]1)c1ccc(Cl)s1 ZINC000930184089 664764035 /nfs/dbraw/zinc/76/40/35/664764035.db2.gz ZOVJQNNFIAXEPV-CYBMUJFWSA-N 1 0 380.901 2.746 20 0 GFADRO Cc1cc([C@@H]2CCC[N@@H+]2C[C@@H](O)C2(O)CCOCC2)ccc1Br ZINC000930304810 664766643 /nfs/dbraw/zinc/76/66/43/664766643.db2.gz IWMNROKVFPARML-DLBZAZTESA-N 1 0 384.314 2.797 20 0 GFADRO CN1CCN(C(=O)Nc2ccc(Cl)c(OC(F)F)c2)CC[N@H+](C)CC1 ZINC000930764641 664777843 /nfs/dbraw/zinc/77/78/43/664777843.db2.gz NFCZAELDYORWEI-UHFFFAOYSA-N 1 0 376.835 2.653 20 0 GFADRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)C[C@@H]2C(=O)Nc3c2cccc3Br)C1 ZINC000930945811 664781623 /nfs/dbraw/zinc/78/16/23/664781623.db2.gz PTOYPZMICNNWFP-JSGCOSHPSA-N 1 0 394.313 2.721 20 0 GFADRO Cc1cc(Br)ccc1[C@H]1CCC[N@@H+]1CC1CN(S(C)(=O)=O)C1 ZINC000931261291 664789548 /nfs/dbraw/zinc/78/95/48/664789548.db2.gz RWGFJFRKLXZVHL-MRXNPFEDSA-N 1 0 387.343 2.786 20 0 GFADRO Cn1cc(C2=NC[C@@H](C[NH2+][C@@H](CCO)c3cc(Cl)cc(Cl)c3)O2)cn1 ZINC000931331536 664792033 /nfs/dbraw/zinc/79/20/33/664792033.db2.gz SFEZAIPZEGUZNC-CVEARBPZSA-N 1 0 383.279 2.586 20 0 GFADRO C[NH+](C)C1(C)CCN(CCS(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000931348165 664792331 /nfs/dbraw/zinc/79/23/31/664792331.db2.gz GYSRVSBHYLFCAH-UHFFFAOYSA-N 1 0 389.359 2.639 20 0 GFADRO Cc1ccc([C@H](CNC(=O)c2ncc(Br)cn2)[NH+]2CCCC2)o1 ZINC000931472956 664795804 /nfs/dbraw/zinc/79/58/04/664795804.db2.gz XFVPNNDNUOTOTO-ZDUSSCGKSA-N 1 0 379.258 2.707 20 0 GFADRO OCCCCC[NH+]1CCN(C[C@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000931499963 664796400 /nfs/dbraw/zinc/79/64/00/664796400.db2.gz IOQRPEXEZMTZOY-INIZCTEOSA-N 1 0 391.339 2.513 20 0 GFADRO OCCCCC[NH+]1CCN(Cc2nc3cc(Br)ccc3o2)CC1 ZINC000931496647 664796482 /nfs/dbraw/zinc/79/64/82/664796482.db2.gz VXPHGWFOMXRRFN-UHFFFAOYSA-N 1 0 382.302 2.871 20 0 GFADRO O=C(CCN1CC[NH+](CCCCCO)CC1)Nc1ccc(Br)cc1 ZINC000931495434 664796507 /nfs/dbraw/zinc/79/65/07/664796507.db2.gz ALTHOAPLPHCNIR-UHFFFAOYSA-N 1 0 398.345 2.558 20 0 GFADRO C[NH+]1CCC(OCC(=O)NCC(C)(C)c2cccc(Br)c2)CC1 ZINC000931509783 664796891 /nfs/dbraw/zinc/79/68/91/664796891.db2.gz PEBXIGUPKQFFET-UHFFFAOYSA-N 1 0 383.330 2.954 20 0 GFADRO C[C@H](C(=O)Nc1ccccc1Br)N1CCc2[nH+]ccc(N)c2C1 ZINC000931512413 664797113 /nfs/dbraw/zinc/79/71/13/664797113.db2.gz OBBGECXJTPPBDD-LLVKDONJSA-N 1 0 375.270 2.812 20 0 GFADRO Cc1c(Br)nccc1NC(=O)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000931548169 664798032 /nfs/dbraw/zinc/79/80/32/664798032.db2.gz GVVUNOMDRHNQBX-CYBMUJFWSA-N 1 0 383.290 2.527 20 0 GFADRO CCO[C@H](CNC(=O)Nc1c(C)ccc(F)c1Br)C[NH+](C)C ZINC000931581571 664799727 /nfs/dbraw/zinc/79/97/27/664799727.db2.gz OJEWVCCQYZTFJE-LLVKDONJSA-N 1 0 376.270 2.985 20 0 GFADRO C[NH+](C)C[C@H]1CCCN1C(=O)c1cc2ccc(Br)cc2c(=O)o1 ZINC000931662220 664801990 /nfs/dbraw/zinc/80/19/90/664801990.db2.gz DTHOERCNKGXTIR-CYBMUJFWSA-N 1 0 379.254 2.722 20 0 GFADRO COC1(OC)CCOC[C@H]1[NH2+]CCC(=O)Nc1c(Cl)cccc1Cl ZINC000931671972 664802257 /nfs/dbraw/zinc/80/22/57/664802257.db2.gz RADNPBCTJXMSPN-CYBMUJFWSA-N 1 0 377.268 2.690 20 0 GFADRO CC(C)(C)OC(=O)N1CCO[C@@]2(CC[N@H+](CC3(Br)CC3)C2)C1 ZINC000931858141 664806011 /nfs/dbraw/zinc/80/60/11/664806011.db2.gz VZKSFGDGDDNBCG-MRXNPFEDSA-N 1 0 375.307 2.626 20 0 GFADRO COc1cc(Br)ccc1NC(=O)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000932178362 664812119 /nfs/dbraw/zinc/81/21/19/664812119.db2.gz ZJSASIDMWSZVNI-CQSZACIVSA-N 1 0 398.301 2.833 20 0 GFADRO O=C(c1nc(Br)c2ccccn21)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000932237304 664815430 /nfs/dbraw/zinc/81/54/30/664815430.db2.gz FBOITCIKJWXEMW-ZDUSSCGKSA-N 1 0 377.286 2.797 20 0 GFADRO C[C@@H](C(=O)NC[C@@H]1CCC[N@H+](C)C1)c1ccc(I)cc1 ZINC000932311858 664819451 /nfs/dbraw/zinc/81/94/51/664819451.db2.gz MXKXBFVZPUJDIJ-OLZOCXBDSA-N 1 0 386.277 2.853 20 0 GFADRO CN(C(=O)C[C@H]1C(=O)Nc2ccc(Br)cc21)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000932547261 664825187 /nfs/dbraw/zinc/82/51/87/664825187.db2.gz GNAOGQDLVLGGBL-DZGCQCFKSA-N 1 0 392.297 2.570 20 0 GFADRO Cc1cc(C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)cnc1Br ZINC000932697899 664832265 /nfs/dbraw/zinc/83/22/65/664832265.db2.gz PZBHATMAAMGGNU-OAHLLOKOSA-N 1 0 382.302 2.526 20 0 GFADRO CC[NH+]1CCN(CCNC(=O)c2cc3c([nH]2)c(Br)ccc3C)CC1 ZINC000932704479 664832414 /nfs/dbraw/zinc/83/24/14/664832414.db2.gz UYJJIMFOQPRCHZ-UHFFFAOYSA-N 1 0 393.329 2.606 20 0 GFADRO O=C1N[C@H](C2CC[NH+](C[C@@H](O)COc3ccc(Cl)c(Cl)c3)CC2)CO1 ZINC000932784455 664838396 /nfs/dbraw/zinc/83/83/96/664838396.db2.gz KNHAQJICFFTJAU-WBMJQRKESA-N 1 0 389.279 2.554 20 0 GFADRO Cc1ncc(NC(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c(C)c1Br ZINC000932785758 664838531 /nfs/dbraw/zinc/83/85/31/664838531.db2.gz LPIZTFMWJWHQAM-CABCVRRESA-N 1 0 397.317 2.524 20 0 GFADRO C[NH+](C)C[C@H]1CCN(C(=O)c2cnn(Cc3ccccc3)c2Br)C1 ZINC000932796303 664839139 /nfs/dbraw/zinc/83/91/39/664839139.db2.gz XEURETHVFOBHGB-OAHLLOKOSA-N 1 0 391.313 2.718 20 0 GFADRO O=C1NC[C@H](O)CC12CC[NH+](Cc1cc(Cl)ccc1Br)CC2 ZINC000932831689 664841311 /nfs/dbraw/zinc/84/13/11/664841311.db2.gz SRBITZJPMVVDGY-CYBMUJFWSA-N 1 0 387.705 2.566 20 0 GFADRO CCc1ccc(Br)cc1C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000932913711 664842816 /nfs/dbraw/zinc/84/28/16/664842816.db2.gz QLMHCRYQESGWDR-QGZVFWFLSA-N 1 0 394.357 2.864 20 0 GFADRO CCCOc1ccc(Br)cc1C[NH2+][C@H]1C(=O)NCC12CCOCC2 ZINC000933033050 664847730 /nfs/dbraw/zinc/84/77/30/664847730.db2.gz FPXYYMJZZMIXHY-INIZCTEOSA-N 1 0 397.313 2.623 20 0 GFADRO Cc1cc(C(=O)Nc2cc(C(N)=O)ccc2C[NH+](C)C)oc1Br ZINC000933240050 664853399 /nfs/dbraw/zinc/85/33/99/664853399.db2.gz OSSQUJNTSOXNFE-UHFFFAOYSA-N 1 0 380.242 2.763 20 0 GFADRO C[C@H]1CCCN1C(=O)CC[NH2+][C@](C)(CO)Cc1ccc(Br)cc1 ZINC000933438760 664864262 /nfs/dbraw/zinc/86/42/62/664864262.db2.gz ZRDGMSRZBVIGNA-KSSFIOAISA-N 1 0 383.330 2.733 20 0 GFADRO NC(=O)[C@]12CCC[C@H]1C[N@H+](CCC(=O)Nc1ccc(Br)cc1F)C2 ZINC000933758929 664877334 /nfs/dbraw/zinc/87/73/34/664877334.db2.gz GJDQXPCSAKIVBP-GTNSWQLSSA-N 1 0 398.276 2.504 20 0 GFADRO CC[N@H+](C)C[C@H]1CCN(C(=O)C[C@@H]2C(=O)Nc3c2cccc3Br)C1 ZINC000933797416 664878332 /nfs/dbraw/zinc/87/83/32/664878332.db2.gz FYAWNRBDPZHUOJ-OCCSQVGLSA-N 1 0 394.313 2.675 20 0 GFADRO CCO[C@H](CC[NH+](C)C)CNC(=O)c1cc(F)cc(Br)c1F ZINC000934385784 664905062 /nfs/dbraw/zinc/90/50/62/664905062.db2.gz OSUJHZLQEHRBEK-LLVKDONJSA-N 1 0 379.245 2.814 20 0 GFADRO C[C@@](O)(C[NH2+][C@@H]1CCOC12CCOCC2)c1ccc(Br)cc1F ZINC000934404044 664905921 /nfs/dbraw/zinc/90/59/21/664905921.db2.gz XMDOTAQBVFCYSR-HZPDHXFCSA-N 1 0 388.277 2.723 20 0 GFADRO Brc1ccccc1-c1nnc(C[NH2+][C@H]2CCOC23CCOCC3)o1 ZINC000934409767 664906220 /nfs/dbraw/zinc/90/62/20/664906220.db2.gz MJMMXQGBRGIHOG-AWEZNQCLSA-N 1 0 394.269 2.927 20 0 GFADRO C[C@](CO)([NH2+]C[C@@H](O)CC1(O)CCCCC1)c1cccc(Br)c1 ZINC000934492318 664908359 /nfs/dbraw/zinc/90/83/59/664908359.db2.gz BRGXNCUHWKDGQF-DLBZAZTESA-N 1 0 386.330 2.692 20 0 GFADRO C[C@@](CO)([NH2+]Cc1cccc(S(C)(=O)=O)c1)c1cccc(Br)c1 ZINC000934495884 664908859 /nfs/dbraw/zinc/90/88/59/664908859.db2.gz ROAHTJJNOQBBMD-KRWDZBQOSA-N 1 0 398.322 2.850 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S(=O)(=O)CC[NH2+][C@@H]1CC=CC[C@H]1C ZINC000934621497 664913229 /nfs/dbraw/zinc/91/32/29/664913229.db2.gz IDYDAYIYPCTPLY-HZPDHXFCSA-N 1 0 385.551 2.588 20 0 GFADRO CCOC1CC(C[NH2+][C@H](CO)c2ccccc2I)C1 ZINC000934827754 664925342 /nfs/dbraw/zinc/92/53/42/664925342.db2.gz IJWMWEGPUQBHPC-KOHJWAIASA-N 1 0 375.250 2.729 20 0 GFADRO C[C@@H](NC(=O)COC1CC[NH+](C)CC1)[C@@H](O)c1c(Cl)cccc1Cl ZINC000934957211 664931925 /nfs/dbraw/zinc/93/19/25/664931925.db2.gz KDSNCIAFCDPROK-PIGZYNQJSA-N 1 0 375.296 2.642 20 0 GFADRO C[NH+]1CCC(OCC(=O)Nc2cnn(-c3ccccc3Br)c2)CC1 ZINC000935088757 664939341 /nfs/dbraw/zinc/93/93/41/664939341.db2.gz HAIVGGZZXVCJEU-UHFFFAOYSA-N 1 0 393.285 2.684 20 0 GFADRO Cc1c(Br)cc(F)cc1C(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000935108110 664940028 /nfs/dbraw/zinc/94/00/28/664940028.db2.gz UBXPQJUBQJXILU-UHFFFAOYSA-N 1 0 387.293 2.815 20 0 GFADRO CCn1c2ccc(Br)cc2nc1NC(=O)COC1CC[NH+](C)CC1 ZINC000935190414 664945229 /nfs/dbraw/zinc/94/52/29/664945229.db2.gz KFSHPQNDPCVERJ-UHFFFAOYSA-N 1 0 395.301 2.868 20 0 GFADRO C[NH+]1CCC(OCC(=O)N[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2)CC1 ZINC000935271242 664949626 /nfs/dbraw/zinc/94/96/26/664949626.db2.gz RLJKKSUHYKYPSS-CYBMUJFWSA-N 1 0 386.323 2.799 20 0 GFADRO C[C@H](NC(=O)C[C@H]1C(=O)Nc2c1cccc2Br)C1=CC[N@H+](C)CC1 ZINC000935314084 664953000 /nfs/dbraw/zinc/95/30/00/664953000.db2.gz UIKZAKLSFWNFJB-SMDDNHRTSA-N 1 0 392.297 2.642 20 0 GFADRO CS[C@H]1CN(C(=O)c2nc(C)ccc2Br)C[C@@H]1[NH+]1CCCC1 ZINC000935368366 664957188 /nfs/dbraw/zinc/95/71/88/664957188.db2.gz QXOWKTQOGXELOQ-KBPBESRZSA-N 1 0 384.343 2.804 20 0 GFADRO C[NH+](C)[C@@H]1CCCN(C(=O)C[C@H]2C(=O)Nc3c2cccc3Br)CC1 ZINC000935650312 664977511 /nfs/dbraw/zinc/97/75/11/664977511.db2.gz XXUQYBOQOCCJFJ-TZMCWYRMSA-N 1 0 394.313 2.818 20 0 GFADRO C[NH+]1CCC(OCC(=O)N[C@@H]2CSc3ccc(Br)cc32)CC1 ZINC000935701676 664983090 /nfs/dbraw/zinc/98/30/90/664983090.db2.gz FULQGAYYMLTUGS-CQSZACIVSA-N 1 0 385.327 2.823 20 0 GFADRO CC[C@@H]1C[N@H+](C)CCCN1C(=O)c1cc(Br)c2nccnc2c1 ZINC000935774354 664987872 /nfs/dbraw/zinc/98/78/72/664987872.db2.gz GOXJSQJCUOJPFF-CYBMUJFWSA-N 1 0 377.286 2.949 20 0 GFADRO COc1ccc([C@H](C[NH+](C)C)NC(=O)c2cc(=O)[nH]cc2Br)cc1 ZINC000935888118 664995787 /nfs/dbraw/zinc/99/57/87/664995787.db2.gz NYEMUTNQXFZCFD-HNNXBMFYSA-N 1 0 394.269 2.591 20 0 GFADRO C[C@@H]1[C@H](C(=O)N[C@@H]2CC[C@H](CNC(=O)c3sccc3Cl)C2)CC[N@@H+]1C ZINC000981526359 665018080 /nfs/dbraw/zinc/01/80/80/665018080.db2.gz KPLLLXBMNMKFFQ-XJFOESAGSA-N 1 0 383.945 2.756 20 0 GFADRO CC[C@@H]1[C@@H](C(=O)N[C@H]2CCN(C(=O)c3ccc(Cl)s3)[C@@H]2C)CC[N@@H+]1C ZINC000988332251 665020437 /nfs/dbraw/zinc/02/04/37/665020437.db2.gz FIGLLYLRODRSKX-ZOBORPQBSA-N 1 0 383.945 2.851 20 0 GFADRO C[N@H+](CC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(Cl)cs1)C2)C1CCC1 ZINC000996389166 665031322 /nfs/dbraw/zinc/03/13/22/665031322.db2.gz JERDLWBPZIPJJG-ILXRZTDVSA-N 1 0 381.929 2.748 20 0 GFADRO C[C@H]1CC[N@H+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)c2cc(Cl)cs2)C1 ZINC001000487161 665046889 /nfs/dbraw/zinc/04/68/89/665046889.db2.gz WVZXDAZFRGDDRH-ATGSNQNLSA-N 1 0 381.929 2.605 20 0 GFADRO C[N@H+](CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccsc1Cl)C2)C1CCC1 ZINC001002618756 665056131 /nfs/dbraw/zinc/05/61/31/665056131.db2.gz FQJIREFUWFROIW-YUELXQCFSA-N 1 0 381.929 2.748 20 0 GFADRO C[C@H]1CC[N@H+](CC(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ccsc2Cl)C3)C1 ZINC001002618884 665056159 /nfs/dbraw/zinc/05/61/59/665056159.db2.gz GWZUKMWIOAMNNJ-MXYBEHONSA-N 1 0 381.929 2.605 20 0 GFADRO Cc1csc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@H]2CC[N@@H+](C)C2)c1Cl ZINC001002964936 665058269 /nfs/dbraw/zinc/05/82/69/665058269.db2.gz QVWUVAFMZGZWAW-SYQHCUMBSA-N 1 0 381.929 2.523 20 0 GFADRO C[C@@H]1[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2sccc2Cl)C3)CC[N@@H+]1C ZINC001003329811 665059696 /nfs/dbraw/zinc/05/96/96/665059696.db2.gz DWRHKDXRCSKLLT-FWZIUSJTSA-N 1 0 381.929 2.603 20 0 GFADRO C[C@H]1CCC[N@@H+]1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1csc(Cl)c1 ZINC001006280495 665069622 /nfs/dbraw/zinc/06/96/22/665069622.db2.gz NVARMRLVPKREGW-MYPMTAMASA-N 1 0 381.929 2.748 20 0 GFADRO C[C@H]1CC[N@H+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2ccc(Cl)s2)C1 ZINC001006286327 665069860 /nfs/dbraw/zinc/06/98/60/665069860.db2.gz FZQMXLFIQNAQIJ-DGAVXFQQSA-N 1 0 381.929 2.605 20 0 GFADRO COc1c(Br)cc(Cl)cc1S(=O)(=O)N(C)C1(C[NH3+])CCC1 ZINC000385289168 677407233 /nfs/dbraw/zinc/40/72/33/677407233.db2.gz HYYLETLVWOHITG-UHFFFAOYSA-N 1 0 397.722 2.613 20 0 GFADRO Cc1csc(C(C)(C)[NH2+]CCOc2ccc(S(=O)(=O)N(C)C)cc2)n1 ZINC000118849119 677395678 /nfs/dbraw/zinc/39/56/78/677395678.db2.gz FXINKXUHLVCHBX-UHFFFAOYSA-N 1 0 383.539 2.606 20 0 GFADRO O=C1[C@@H]([NH2+][C@@H](CCO)c2ccc(Cl)c(Cl)c2)CCN1C1CCOCC1 ZINC000375743072 677405200 /nfs/dbraw/zinc/40/52/00/677405200.db2.gz MWZIEGSDIIYEKJ-IRXDYDNUSA-N 1 0 387.307 2.786 20 0 GFADRO C[C@@H](NS(=O)(=O)c1ccc(Cl)nc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000381190637 677406021 /nfs/dbraw/zinc/40/60/21/677406021.db2.gz XJKCMGGUHMMTGT-GDBMZVCRSA-N 1 0 379.913 2.924 20 0 GFADRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000391716922 677409296 /nfs/dbraw/zinc/40/92/96/677409296.db2.gz DKIDVPNIJNQYGO-LLVKDONJSA-N 1 0 375.878 2.567 20 0 GFADRO C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1[NH2+]Cc1nn(C)cc1Br ZINC000393334064 677410599 /nfs/dbraw/zinc/41/05/99/677410599.db2.gz WAFZSWUIKZKKLT-WCQYABFASA-N 1 0 387.322 2.918 20 0 GFADRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NS(=O)(=O)c1ccc(Cl)nc1 ZINC000398146554 677412009 /nfs/dbraw/zinc/41/20/09/677412009.db2.gz LTDHLGGJGBKWEF-RHSMWYFYSA-N 1 0 379.913 2.924 20 0 GFADRO COC(=O)[C@]12C[N@H+](CCCc3ccccc3Br)C[C@H]1COCC2 ZINC000483073487 677673185 /nfs/dbraw/zinc/67/31/85/677673185.db2.gz UNSHUIYNBSXKOU-MAUKXSAKSA-N 1 0 382.298 2.893 20 0 GFADRO CN(C[C@@H](O)C[N@H+](Cc1cccc(Br)c1)C1CCOCC1)C1CC1 ZINC000578922144 677673310 /nfs/dbraw/zinc/67/33/10/677673310.db2.gz OSBWJYWWVBGTCD-LJQANCHMSA-N 1 0 397.357 2.885 20 0 GFADRO CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+]C[C@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000579824618 677673622 /nfs/dbraw/zinc/67/36/22/677673622.db2.gz OPXGCLNYKLXPNQ-MELADBBJSA-N 1 0 396.336 2.679 20 0 GFADRO COC(=O)CC[N@@H+]1CCN(Cc2ccc(OC)cc2Br)[C@@H](C)C1 ZINC000580127693 677673725 /nfs/dbraw/zinc/67/37/25/677673725.db2.gz XGECFOUHCJCNIN-ZDUSSCGKSA-N 1 0 385.302 2.527 20 0 GFADRO Cc1ccc([C@@H]2C[C@H]2C(=O)N[C@@H]2C[N@H+](CCc3cccs3)C[C@H]2O)s1 ZINC001077809708 677676167 /nfs/dbraw/zinc/67/61/67/677676167.db2.gz QZJHRZVTMQNUMO-QBPKDAKJSA-N 1 0 376.547 2.626 20 0 GFADRO FC(F)(c1ccc(-c2cc(Cl)ncn2)cc1)N1CC[C@H]2[NH2+]CCO[C@H]2C1 ZINC001164389028 718822524 /nfs/dbraw/zinc/82/25/24/718822524.db2.gz GHTXJLLXFOPJRN-ZBFHGGJFSA-N 1 0 380.826 2.909 20 0 GFADRO FC(F)(c1cc(Cl)nc(-c2ccccc2)n1)N1CC[C@@H]2[NH2+]CCO[C@@H]2C1 ZINC001164390305 718823476 /nfs/dbraw/zinc/82/34/76/718823476.db2.gz NRYPOCQUWUKLQC-UONOGXRCSA-N 1 0 380.826 2.909 20 0 GFADRO FC(F)(c1cnc(Cl)c(-c2ccncc2)c1)N1CC[C@H]2[NH2+]CCO[C@H]2C1 ZINC001164388307 718825280 /nfs/dbraw/zinc/82/52/80/718825280.db2.gz ADKKUAULBQBHAH-CVEARBPZSA-N 1 0 380.826 2.909 20 0 GFADRO OC[C@]12C[NH2+]C[C@H]1CN(C(F)(F)c1ccc(-c3ccnc(Cl)c3)cc1)C2 ZINC001164402113 718851052 /nfs/dbraw/zinc/85/10/52/718851052.db2.gz DYHHIAXCNDZPSJ-FUHWJXTLSA-N 1 0 379.838 2.965 20 0 GFADRO FC(F)(c1cc(Cl)nc(-c2ccncc2)n1)N1CCO[C@@H]2C[NH2+]CC[C@H]2C1 ZINC001164407788 718863840 /nfs/dbraw/zinc/86/38/40/718863840.db2.gz JXNNTSXSXYTZEW-UONOGXRCSA-N 1 0 395.841 2.552 20 0 GFADRO FC(F)(c1cc(Cl)nc(Cl)c1)N1CCCO[C@@]2(C[NH2+]CCOC2)C1 ZINC001164419983 718912853 /nfs/dbraw/zinc/91/28/53/718912853.db2.gz FFTJEQVCLZOWKW-AWEZNQCLSA-N 1 0 382.238 2.519 20 0 GFADRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(F)(F)c1ccc2cnc(Cl)nc2c1 ZINC001164614667 719015554 /nfs/dbraw/zinc/01/55/54/719015554.db2.gz GBDNIOPNSNQHLI-TUKIKUTGSA-N 1 0 396.825 2.558 20 0 GFADRO CCOC(=O)Cc1cnc(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)nc1 ZINC001164623573 719083202 /nfs/dbraw/zinc/08/32/02/719083202.db2.gz JUKCDHNVKVWVQJ-PMACEKPBSA-N 1 0 380.492 2.683 20 0 GFADRO CON(C)C(=O)c1ccnc(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC001164630409 719103398 /nfs/dbraw/zinc/10/33/98/719103398.db2.gz WDTQBMVXAUPXPD-PMACEKPBSA-N 1 0 380.492 2.816 20 0 GFADRO Cc1ccc(S(=O)(=O)n2ccc3c2ncnc3N2C[C@H](C)[N@@H+](C)C[C@@H]2C)cc1 ZINC001164634962 719161287 /nfs/dbraw/zinc/16/12/87/719161287.db2.gz KNKZHYQILDFHFM-HOTGVXAUSA-N 1 0 399.520 2.506 20 0 GFADRO Cc1cc2c(ncnc2N2C[C@H](C)[N@@H+](C)C[C@H]2C)n1S(=O)(=O)c1ccccc1 ZINC001164642396 719172400 /nfs/dbraw/zinc/17/24/00/719172400.db2.gz YDAOMYNLIIFLOM-JKSUJKDBSA-N 1 0 399.520 2.506 20 0 GFADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1nc(Cl)cc(C(C)(C)C)n1)CC2 ZINC001164685754 719734758 /nfs/dbraw/zinc/73/47/58/719734758.db2.gz NISAAXPXRGPJSB-UHFFFAOYSA-N 1 0 379.936 2.608 20 0 GFADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3OCCN(c4ncccn4)[C@H]3C2)nc1 ZINC001164691496 719801448 /nfs/dbraw/zinc/80/14/48/719801448.db2.gz IGIATOVLEUGWSW-AABGKKOBSA-N 1 0 394.523 2.513 20 0 GFADRO Cc1nc(C[N@H+]2CCCC23CCN(c2ncnc4c2[C@@H](C)C(=O)N4)CC3)cs1 ZINC001164692543 719809552 /nfs/dbraw/zinc/80/95/52/719809552.db2.gz IYJMYQYVANEILN-CYBMUJFWSA-N 1 0 398.536 2.932 20 0 GFADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2ccc4c(n2)NC(=O)CO4)CC3)cs1 ZINC001164692906 719809740 /nfs/dbraw/zinc/80/97/40/719809740.db2.gz NOLFMICRNYJPON-UHFFFAOYSA-N 1 0 399.520 2.812 20 0 GFADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@H]3COC[C@]3(c3nc(C)no3)C2)nc1 ZINC001164799665 720062048 /nfs/dbraw/zinc/06/20/48/720062048.db2.gz BGZHRHLGMTXBDN-WAOWUJCRSA-N 1 0 383.496 2.724 20 0 GFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nccc(Cl)c1C(=O)OC)C2 ZINC001164805919 720076903 /nfs/dbraw/zinc/07/69/03/720076903.db2.gz AUKNZTBBUUVDND-QRWLVFNGSA-N 1 0 393.915 2.706 20 0 GFADRO Cn1nnc2c1CCN(c1nccc3ccccc31)[C@H]2COCC[NH+]1CCCC1 ZINC001164714534 720170365 /nfs/dbraw/zinc/17/03/65/720170365.db2.gz QJJNVZXTKJPZBQ-FQEVSTJZSA-N 1 0 392.507 2.580 20 0 GFADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1nncc3ccc(F)cc31)CCC2 ZINC001164814795 720225233 /nfs/dbraw/zinc/22/52/33/720225233.db2.gz ZHGYDXBELRXUEA-UHFFFAOYSA-N 1 0 396.470 2.576 20 0 GFADRO Cc1ccnc(N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c1Cl ZINC001164819579 720313328 /nfs/dbraw/zinc/31/33/28/720313328.db2.gz DKHJYILRXNMSDU-SJORKVTESA-N 1 0 376.932 2.955 20 0 GFADRO Cc1cccc2ncnc(N3CC[C@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)c12 ZINC001164832904 720321081 /nfs/dbraw/zinc/32/10/81/720321081.db2.gz UTUPRIHTAIVHQO-PMACEKPBSA-N 1 0 393.535 2.850 20 0 GFADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2ccc3ncc(F)cc3n2)CC1 ZINC001164823968 720333495 /nfs/dbraw/zinc/33/34/95/720333495.db2.gz CGSKXTFCMXSRQC-WOJBJXKFSA-N 1 0 397.498 2.680 20 0 GFADRO CCc1cc(CC)nc(N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164826019 720353486 /nfs/dbraw/zinc/35/34/86/720353486.db2.gz KCWLRNJWAXELIK-PMACEKPBSA-N 1 0 385.556 2.513 20 0 GFADRO COc1cc2ncnc(N3CC[C@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)c2c(OC)c1 ZINC001164729670 720393607 /nfs/dbraw/zinc/39/36/07/720393607.db2.gz VKONNMHDNHYTCV-OALUTQOASA-N 1 0 391.475 2.895 20 0 GFADRO C[NH+](C)C[C@H]1Cn2ccnc2CN(C(F)(F)c2nc(Cl)cc(Cl)n2)C1 ZINC001164730756 720507679 /nfs/dbraw/zinc/50/76/79/720507679.db2.gz NIFQJQGSWVJGEL-JTQLQIEISA-N 1 0 391.253 2.723 20 0 GFADRO COc1cc(C(F)(F)N2Cc3nccn3C[C@@H](C[NH+](C)C)C2)cc(Cl)n1 ZINC001164729853 720507787 /nfs/dbraw/zinc/50/77/87/720507787.db2.gz JSPMMJDAPCBJMR-GFCCVEGCSA-N 1 0 385.846 2.683 20 0 GFADRO COC(=O)c1ccnc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c1C ZINC001164832348 720523424 /nfs/dbraw/zinc/52/34/24/720523424.db2.gz ABNXEXLZPAKEHU-WSTZPKSXSA-N 1 0 397.523 2.751 20 0 GFADRO CCOc1ccc(-c2ccc(N3Cc4nccn4C[C@@H](C[NH+](C)C)C3)nn2)cc1 ZINC001164735456 720528462 /nfs/dbraw/zinc/52/84/62/720528462.db2.gz XWHNIIKSGKMIIQ-QGZVFWFLSA-N 1 0 392.507 2.937 20 0 GFADRO COCc1cc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)nc(C)n1 ZINC001164843005 720533123 /nfs/dbraw/zinc/53/31/23/720533123.db2.gz ZMFBRKGOCPNLDN-MISYRCLQSA-N 1 0 384.528 2.506 20 0 GFADRO COC(=O)c1ccc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)nc1C ZINC001164838967 720533181 /nfs/dbraw/zinc/53/31/81/720533181.db2.gz PGUPMLIDHWTMGA-CMKODMSKSA-N 1 0 397.523 2.751 20 0 GFADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3ncc(OC(F)F)cn3)CC[C@@H]21 ZINC001164842141 720563356 /nfs/dbraw/zinc/56/33/56/720563356.db2.gz WVZYERCYJPAENP-ZOBUZTSGSA-N 1 0 392.454 2.652 20 0 GFADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3cncc(N4CCCC4)n3)CC[C@@H]21 ZINC001164840870 720575523 /nfs/dbraw/zinc/57/55/23/720575523.db2.gz UJIBIFOBRZJYGC-AABGKKOBSA-N 1 0 395.555 2.651 20 0 GFADRO CC1CCN(c2ccc(N3CCc4ncc(C[NH+]5CCCC5)n4CC3)nn2)CC1 ZINC001164736128 720583749 /nfs/dbraw/zinc/58/37/49/720583749.db2.gz DJBYJRHOMLBVCB-UHFFFAOYSA-N 1 0 395.555 2.568 20 0 GFADRO Cc1cccc2c(Cl)nnc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)c12 ZINC001164738117 720690147 /nfs/dbraw/zinc/69/01/47/720690147.db2.gz ILEULYJQFSMTGI-GJZGRUSLSA-N 1 0 396.882 2.724 20 0 GFADRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1nccc3c1C(=O)NC3)CC2 ZINC001164844518 720691462 /nfs/dbraw/zinc/69/14/62/720691462.db2.gz SQUXMGKVQJHIAY-IBGZPJMESA-N 1 0 392.503 2.585 20 0 GFADRO Cc1c[nH]c2nc(Cl)cc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)c12 ZINC001164741003 720752014 /nfs/dbraw/zinc/75/20/14/720752014.db2.gz LWCIJKMSWIJIRS-KBPBESRZSA-N 1 0 384.871 2.657 20 0 GFADRO Cc1ccc(-c2ccc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)nn2)cc1 ZINC001164739922 720754862 /nfs/dbraw/zinc/75/48/62/720754862.db2.gz JTWCXRLQDKBPRU-MOPGFXCFSA-N 1 0 388.475 2.584 20 0 GFADRO Cc1cc(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)nc(-c2cccs2)n1 ZINC001164737488 720777977 /nfs/dbraw/zinc/77/79/77/720777977.db2.gz BWDCBRHNEQLBAS-HZPDHXFCSA-N 1 0 394.504 2.645 20 0 GFADRO c1ncn(C[C@@H]2C[C@H]3CN(c4nccc5cnccc54)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164745150 720837228 /nfs/dbraw/zinc/83/72/28/720837228.db2.gz LVVYOQARFYFXRD-IRFCIJBXSA-N 1 0 389.507 2.601 20 0 GFADRO COCC[N@@H+]1CCO[C@@H]2CN(c3csc4ncnc(Cl)c34)CC[C@H]2C1 ZINC001164856453 720848466 /nfs/dbraw/zinc/84/84/66/720848466.db2.gz WRKOYUDTBYRLMP-GXTWGEPZSA-N 1 0 382.917 2.518 20 0 GFADRO c1cncc(COC[C@H]2C[N@H+](CC3CC3)C[C@@]23CCN(c2cnccn2)C3)c1 ZINC001164755794 720866624 /nfs/dbraw/zinc/86/66/24/720866624.db2.gz YXLNJXYIRZOBGK-IFMALSPDSA-N 1 0 379.508 2.627 20 0 GFADRO COCC[N@@H+]1CCO[C@@H]2CN(c3nc(Cl)nc4cccc(C)c43)CC[C@H]2C1 ZINC001164860252 720866750 /nfs/dbraw/zinc/86/67/50/720866750.db2.gz WCVFBXZNXGQZKJ-DOTOQJQBSA-N 1 0 390.915 2.765 20 0 GFADRO COCC[N@@H+]1CCO[C@@H]2CN(c3nc(CC(C)C)nc(Cl)c3C)CC[C@H]2C1 ZINC001164853854 720886689 /nfs/dbraw/zinc/88/66/89/720886689.db2.gz DCIWVQMQIMIDOR-DLBZAZTESA-N 1 0 396.963 2.810 20 0 GFADRO CC(C)OC(=O)c1ccc(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@@H]2C)nn1 ZINC001164860634 720938444 /nfs/dbraw/zinc/93/84/44/720938444.db2.gz QPVLIZDTWNCHHH-HNNXBMFYSA-N 1 0 386.500 2.660 20 0 GFADRO C[NH+](C)Cc1ccnc(N2CCC[C@@]3(C[C@H](OCc4ccccn4)CO3)C2)c1 ZINC001164764614 721031892 /nfs/dbraw/zinc/03/18/92/721031892.db2.gz MWLLYRFANKHMRX-RBBKRZOGSA-N 1 0 382.508 2.883 20 0 GFADRO Cc1cc2c(ncnc2N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)s1 ZINC001164868693 721042058 /nfs/dbraw/zinc/04/20/58/721042058.db2.gz PXAZCOPHMDUTEK-IAGOWNOFSA-N 1 0 381.505 2.874 20 0 GFADRO Clc1nc2ncccc2c(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164870912 721060442 /nfs/dbraw/zinc/06/04/42/721060442.db2.gz XJTWVPHIYBRKGZ-HZPDHXFCSA-N 1 0 396.882 2.553 20 0 GFADRO Cc1nc(Cl)cc(C(F)(F)N2C[C@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)n1 ZINC001164761558 721092002 /nfs/dbraw/zinc/09/20/02/721092002.db2.gz BTXFSPRKLLGYES-HUUCEWRRSA-N 1 0 396.873 2.675 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(C(F)(F)Oc4cccc(Cl)n4)C[C@H]3C2)cn1 ZINC001164769408 721103716 /nfs/dbraw/zinc/10/37/16/721103716.db2.gz OPEVPUWINDZJAF-LSDHHAIUSA-N 1 0 397.857 2.852 20 0 GFADRO Fc1cnc2ccc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)nc2c1 ZINC001164877013 721128237 /nfs/dbraw/zinc/12/82/37/721128237.db2.gz NUXCPVAUKAUULI-MSOLQXFVSA-N 1 0 379.439 2.644 20 0 GFADRO CSc1ncc(Cl)nc1N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164871561 721132367 /nfs/dbraw/zinc/13/23/67/721132367.db2.gz FIMOCSUNVIYCSE-CABCVRRESA-N 1 0 391.928 2.727 20 0 GFADRO COc1ccc2ccc(N3C[C@@H]4CC[N@H+](Cc5cnn(C)c5)C[C@H]4C3)nc2c1 ZINC001164771735 721155525 /nfs/dbraw/zinc/15/55/25/721155525.db2.gz STURUFWHXCSRRG-OALUTQOASA-N 1 0 377.492 2.935 20 0 GFADRO CCc1nc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)c(Cl)nc1C ZINC001164870945 721190367 /nfs/dbraw/zinc/19/03/67/721190367.db2.gz XSZSPOJGGYLXOP-IRXDYDNUSA-N 1 0 387.915 2.876 20 0 GFADRO Cc1cc(N2C[C@@H]3C[N@H+](Cc4cnn(C)c4)CC[C@@H]3C2)nc(-c2ccncc2)n1 ZINC001164767594 721193495 /nfs/dbraw/zinc/19/34/95/721193495.db2.gz KCXAWKYMJMSKHE-UXHICEINSA-N 1 0 389.507 2.539 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4ccc(-c5ccc(F)cc5)nn4)C[C@H]3C2)cn1 ZINC001164770110 721212453 /nfs/dbraw/zinc/21/24/53/721212453.db2.gz NDLPBONCFNNOFD-RBUKOAKNSA-N 1 0 392.482 2.975 20 0 GFADRO Cc1cc2ncnc(N3C[C@@H]4C[N@H+](Cc5cnn(C)c5)CC[C@@H]4C3)c2cc1C ZINC001164767857 721233046 /nfs/dbraw/zinc/23/30/46/721233046.db2.gz WQGKWHLBKQWBLX-MOPGFXCFSA-N 1 0 376.508 2.938 20 0 GFADRO Cc1nc2ccccc2c(N2CC[C@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)n1 ZINC001164894109 721394765 /nfs/dbraw/zinc/39/47/65/721394765.db2.gz XSHFMTYOCNXNQA-XXBNENTESA-N 1 0 395.551 2.704 20 0 GFADRO Cc1nc(C)c(N2CC[C@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)c(Cl)n1 ZINC001164891480 721405142 /nfs/dbraw/zinc/40/51/42/721405142.db2.gz WKCCFHLAOAWMAS-PXNSSMCTSA-N 1 0 393.963 2.512 20 0 GFADRO Cc1nnc(N2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)c2ccccc12 ZINC001164890308 721432465 /nfs/dbraw/zinc/43/24/65/721432465.db2.gz DJUSUYWCAYBQIB-AUSIDOKSSA-N 1 0 395.551 2.704 20 0 GFADRO Cc1cc(N2CCCC2)nc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)n1 ZINC001164900468 721508256 /nfs/dbraw/zinc/50/82/56/721508256.db2.gz REXGVWFTCCKXCC-AZUAARDMSA-N 1 0 397.498 2.866 20 0 GFADRO COC(=O)c1ccc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)nc1C ZINC001164902870 721528437 /nfs/dbraw/zinc/52/84/37/721528437.db2.gz BMWZEGZDZILOPO-FUHWJXTLSA-N 1 0 385.439 2.658 20 0 GFADRO Fc1cccc(O[C@@H]2C[C@H]3CN(c4nccc(N5CCCCC5)n4)CC[N@@H+]3C2)c1 ZINC001164903384 721543372 /nfs/dbraw/zinc/54/33/72/721543372.db2.gz CHVNIUHJLSPLOI-AZUAARDMSA-N 1 0 397.498 2.948 20 0 GFADRO Cc1noc(-c2ccc(N3CC[N@@H+]4C[C@H](Oc5cccc(F)c5)C[C@H]4C3)nc2)n1 ZINC001164906449 721556489 /nfs/dbraw/zinc/55/64/89/721556489.db2.gz JFBZKAITAPDURR-PKOBYXMFSA-N 1 0 395.438 2.921 20 0 GFADRO Cc1noc(-c2ccnc(N3CC[N@@H+]4C[C@@H](Oc5cccc(F)c5)C[C@@H]4C3)c2)n1 ZINC001164903086 721556956 /nfs/dbraw/zinc/55/69/56/721556956.db2.gz AFJSXMLWNPCWHZ-MJGOQNOKSA-N 1 0 395.438 2.921 20 0 GFADRO [O-][n+]1cc(F)ccc1N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164906644 721693947 /nfs/dbraw/zinc/69/39/47/721693947.db2.gz NSWLHFODNOIHLY-SFHVURJKSA-N 1 0 378.398 2.592 20 0 GFADRO [O-][n+]1cc(F)ccc1N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164906642 721694683 /nfs/dbraw/zinc/69/46/83/721694683.db2.gz NSWLHFODNOIHLY-GOSISDBHSA-N 1 0 378.398 2.592 20 0 GFADRO COc1ncc(F)c(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)n1 ZINC001164907936 721701146 /nfs/dbraw/zinc/70/11/46/721701146.db2.gz WTCXUZXGRGAJHB-SFHVURJKSA-N 1 0 393.413 2.757 20 0 GFADRO c1cncc(O[C@@H]2CO[C@@]3(CCN(c4ncccc4C[NH+]4CCCC4)C3)C2)c1 ZINC001164914589 721807580 /nfs/dbraw/zinc/80/75/80/721807580.db2.gz DIQQDDFYAXVULC-UNMCSNQZSA-N 1 0 380.492 2.889 20 0 GFADRO CN(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCN2c1ncnc2c1ccn2Cc1ccccc1 ZINC001164923100 721867059 /nfs/dbraw/zinc/86/70/59/721867059.db2.gz ICRIJXWQHNJRQJ-NHCUHLMSSA-N 1 0 390.535 2.694 20 0 GFADRO C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2c1nc(Cl)ccc1CN1CCCC1 ZINC001164924303 721867691 /nfs/dbraw/zinc/86/76/91/721867691.db2.gz KSJZEPGZKUPEBQ-MSOLQXFVSA-N 1 0 377.964 2.545 20 0 GFADRO CN(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCN2c1ncnc2[nH]c3ccc(Cl)cc3c21 ZINC001164924364 721876030 /nfs/dbraw/zinc/87/60/30/721876030.db2.gz LCZNKGIHLZEQOU-IAGOWNOFSA-N 1 0 384.915 2.979 20 0 GFADRO CN(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2c1nc(Cl)nc2c(Cl)nccc21 ZINC001164928599 721876970 /nfs/dbraw/zinc/87/69/70/721876970.db2.gz ZALZCLKRFHKTCL-QWHCGFSZSA-N 1 0 381.311 2.546 20 0 GFADRO CN(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2c1nc(-c2ccccn2)nc2sccc21 ZINC001164936338 721886106 /nfs/dbraw/zinc/88/61/06/721886106.db2.gz ZNIXUDNBPULBKR-ZWKOTPCHSA-N 1 0 394.548 2.968 20 0 GFADRO Cc1cc(OCc2ccccc2)nc(N2CC[C@@H]3[C@@H]2CCN3CC[NH+](C)C)n1 ZINC001164934838 721886122 /nfs/dbraw/zinc/88/61/22/721886122.db2.gz UVVCYIWELLTQDS-UXHICEINSA-N 1 0 381.524 2.579 20 0 GFADRO CC[C@@H]1C(=O)N(C)c2cnc(N3CCC[C@@H]([NH+](C)C)C3)nc2N1C1CCCC1 ZINC001165040310 721891215 /nfs/dbraw/zinc/89/12/15/721891215.db2.gz VJNFEEUHIQNVGD-IAGOWNOFSA-N 1 0 386.544 2.511 20 0 GFADRO CN1C(=O)CC[C@H]2[C@H]1CCN2c1ccc2c(n1)CC[N@@H+](Cc1ccccc1)C2 ZINC001164932744 721891808 /nfs/dbraw/zinc/89/18/08/721891808.db2.gz IBNVZBNISLRGFO-RTWAWAEBSA-N 1 0 376.504 2.839 20 0 GFADRO CN1C(=O)CC[C@H]2[C@H]1CCN2C(F)(F)c1cnc(Cl)c(C2=CC[NH2+]CC2)c1 ZINC001164936538 721894529 /nfs/dbraw/zinc/89/45/29/721894529.db2.gz ZGPFURBQOOUNRI-CVEARBPZSA-N 1 0 396.869 2.856 20 0 GFADRO COCc1ccc(N2CCC3(CC2)C[N@H+](Cc2ccc(C)cc2)CCO3)nn1 ZINC001164939778 721933062 /nfs/dbraw/zinc/93/30/62/721933062.db2.gz BARRRDHENGXPSQ-UHFFFAOYSA-N 1 0 382.508 2.803 20 0 GFADRO CSc1ccnc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)n1 ZINC001164958169 722053509 /nfs/dbraw/zinc/05/35/09/722053509.db2.gz DGQHSNJVKUKEKV-UHFFFAOYSA-N 1 0 385.537 2.713 20 0 GFADRO CCOc1cccc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)n1 ZINC001164963848 722054854 /nfs/dbraw/zinc/05/48/54/722054854.db2.gz NWZXDXIQBDOFHK-UHFFFAOYSA-N 1 0 382.508 2.994 20 0 GFADRO c1cc(C[N@@H+]2CCOCC3(CCN(c4ccnc(C5CC5)n4)CC3)C2)ccn1 ZINC001164962573 722057440 /nfs/dbraw/zinc/05/74/40/722057440.db2.gz FPNXWRASIKRUQD-UHFFFAOYSA-N 1 0 379.508 2.868 20 0 GFADRO c1ccc2c(c1)nc(-c1cccnc1)nc2N1C[C@@H]2C[N@H+](CC3CC3)C[C@H](C1)O2 ZINC001164967222 722075256 /nfs/dbraw/zinc/07/52/56/722075256.db2.gz OINZLFKDQWCOQG-KDURUIRLSA-N 1 0 387.487 2.991 20 0 GFADRO Fc1ccc2ncnc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)c2c1 ZINC001164983928 722103886 /nfs/dbraw/zinc/10/38/86/722103886.db2.gz RFJFYAUOWHMGDH-LAUBAEHRSA-N 1 0 393.466 2.891 20 0 GFADRO Clc1nc2ccoc2c(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164981527 722104149 /nfs/dbraw/zinc/10/41/49/722104149.db2.gz LPXLNSWLDKLMJG-NVXWUHKLSA-N 1 0 399.882 2.999 20 0 GFADRO c1cncc(C[N@@H+]2CCO[C@@H]3CN(c4nccc5ncccc54)CC[C@@H]3C2)c1 ZINC001164978249 722104162 /nfs/dbraw/zinc/10/41/62/722104162.db2.gz GIXCDQOYQQKJCH-WIYYLYMNSA-N 1 0 375.476 2.752 20 0 GFADRO COc1ccc(Cl)c(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164983735 722119770 /nfs/dbraw/zinc/11/97/70/722119770.db2.gz ZPDRPHRPRVCGCA-AEFFLSMTSA-N 1 0 388.899 2.866 20 0 GFADRO CCOc1ccc(Br)cc1S(=O)(=O)NC(C)(C)CCC[NH3+] ZINC000386561123 563519046 /nfs/dbraw/zinc/51/90/46/563519046.db2.gz BENUALYQXNCMFL-UHFFFAOYSA-N 1 0 379.320 2.644 20 0 GFADRO C[NH+](C)CCn1ccc(NC(=O)[C@H]2[C@@H]3c4ccc(Br)cc4C[C@H]23)n1 ZINC000630861278 532532245 /nfs/dbraw/zinc/53/22/45/532532245.db2.gz SCBJXAQDPZGZBU-USXIJHARSA-N 1 0 389.297 2.732 20 0 GFADRO COc1ccc2[nH]cc(CC(=O)N3CCC(C)(C[NH+]4CCN(C)CC4)CC3)c2c1 ZINC000359962589 209208111 /nfs/dbraw/zinc/20/81/11/209208111.db2.gz VXARRWQJICDXIG-UHFFFAOYSA-N 1 0 398.551 2.595 20 0 GFADRO C[C@@H](NC(=O)c1ccco1)C(=O)N(Cc1ccccc1F)C1CC[NH+](C)CC1 ZINC000359904388 209201225 /nfs/dbraw/zinc/20/12/25/209201225.db2.gz JDCYVOWHNJAGEJ-OAHLLOKOSA-N 1 0 387.455 2.660 20 0 GFADRO Cc1ccc(C[NH2+]C[C@@H]2CCC[C@@]23NC(=O)N(C)C3=O)c(Br)c1 ZINC000359866837 209198300 /nfs/dbraw/zinc/19/83/00/209198300.db2.gz GOADEOFZAWCFAJ-SUMWQHHRSA-N 1 0 380.286 2.568 20 0 GFADRO O=C(NCC[NH2+]Cc1cc(Br)cc(Br)c1)C1CC1 ZINC000394559091 563529915 /nfs/dbraw/zinc/52/99/15/563529915.db2.gz ICEOELOHUCRJOS-UHFFFAOYSA-N 1 0 376.092 2.827 20 0 GFADRO CCN1CCC[C@@H](C[N@H+](C)C[C@H](O)COc2ccccc2)[C@@H]1c1cnn(C)c1 ZINC000328630909 209151433 /nfs/dbraw/zinc/15/14/33/209151433.db2.gz JVVAJLVUNUMDHP-RCZSKKKRSA-N 1 0 386.540 2.565 20 0 GFADRO CCN1CCC[C@@H](C[N@H+](C)C[C@@H](O)COc2ccccc2)[C@@H]1c1cnn(C)c1 ZINC000328630908 209150104 /nfs/dbraw/zinc/15/01/04/209150104.db2.gz JVVAJLVUNUMDHP-CZTZKLFOSA-N 1 0 386.540 2.565 20 0 GFADRO COc1ccccc1-c1ncc(C[NH2+][C@@H]2CCCN(c3ncccn3)C2)cn1 ZINC000064131677 136156729 /nfs/dbraw/zinc/15/67/29/136156729.db2.gz LUROVIFVQPNLQT-QGZVFWFLSA-N 1 0 376.464 2.701 20 0 GFADRO [NH3+]C[C@H](NC(=O)c1ccc(I)c(Cl)c1)C(F)(F)F ZINC000401656547 563535252 /nfs/dbraw/zinc/53/52/52/563535252.db2.gz AEBSJIHTPCLFAA-QMMMGPOBSA-N 1 0 392.546 2.564 20 0 GFADRO C[NH+](C)C[C@@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1Br ZINC000405097754 563538239 /nfs/dbraw/zinc/53/82/39/563538239.db2.gz UCPHLENXAMDSCF-LBPRGKRZSA-N 1 0 379.295 2.693 20 0 GFADRO C[C@@H]1CCC[C@@H](CO)[N@@H+]1C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000439449480 563725404 /nfs/dbraw/zinc/72/54/04/563725404.db2.gz ISUXYLGIPAMIAJ-UGFHNGPFSA-N 1 0 376.266 2.563 20 0 GFADRO COC(=O)CC[N@H+](C[C@@H](O)COc1cc(F)cc(Br)c1)C(C)C ZINC000439445888 563725864 /nfs/dbraw/zinc/72/58/64/563725864.db2.gz YRHMCLHCDRQDBA-CQSZACIVSA-N 1 0 392.265 2.601 20 0 GFADRO CC[N@H+](C[C@@H](O)COc1cc(F)cc(Br)c1)C[C@H]1CCCO1 ZINC000439455960 563726641 /nfs/dbraw/zinc/72/66/41/563726641.db2.gz XCEYNZBQVGUFQR-HUUCEWRRSA-N 1 0 376.266 2.829 20 0 GFADRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NS(=O)(=O)c1ccc(Br)s1 ZINC000440079347 563735611 /nfs/dbraw/zinc/73/56/11/563735611.db2.gz XKHVFDSUWXCSIX-MNOVXSKESA-N 1 0 381.361 2.909 20 0 GFADRO O=C(C[C@@H]1Sc2ccc(Cl)cc2NC1=O)NC1CC[NH+](C2CC2)CC1 ZINC000011527244 551107195 /nfs/dbraw/zinc/10/71/95/551107195.db2.gz FSNCDMCNWPBEKX-INIZCTEOSA-N 1 0 379.913 2.886 20 0 GFADRO O=C(CCNC(=O)c1ccsc1)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000027605552 551123246 /nfs/dbraw/zinc/12/32/46/551123246.db2.gz MXIZWKRQLKQBPW-HNNXBMFYSA-N 1 0 377.535 2.883 20 0 GFADRO O=S(=O)(NCC1([NH+]2CCSCC2)CCCC1)c1ccc2c(c1)CCC2 ZINC000030431970 551127453 /nfs/dbraw/zinc/12/74/53/551127453.db2.gz FWWTWJDITKOQRQ-UHFFFAOYSA-N 1 0 380.579 2.815 20 0 GFADRO O=C(NC1CC[NH+](C[C@H](O)COc2ccc(Cl)cc2Cl)CC1)C1CC1 ZINC000030538921 551127775 /nfs/dbraw/zinc/12/77/75/551127775.db2.gz UQUGSDLYMREXOS-HNNXBMFYSA-N 1 0 387.307 2.724 20 0 GFADRO CC(C)[C@@H](CNC(=O)c1csc(-c2cccs2)n1)N1CC[NH+](C)CC1 ZINC000042579963 551139528 /nfs/dbraw/zinc/13/95/28/551139528.db2.gz FABMWFUORPXQDJ-OAHLLOKOSA-N 1 0 378.567 2.873 20 0 GFADRO CCN1CC[NH+](CCCCNC(=O)c2cc(OC)ccc2Br)CC1 ZINC000042593330 551139776 /nfs/dbraw/zinc/13/97/76/551139776.db2.gz MJHACTXAXHGBHO-UHFFFAOYSA-N 1 0 398.345 2.605 20 0 GFADRO CCN1CC[NH+](CCCCNC(=O)c2ccc(Br)cc2F)CC1 ZINC000042594509 551139876 /nfs/dbraw/zinc/13/98/76/551139876.db2.gz YBSUDSHEQWROGB-UHFFFAOYSA-N 1 0 386.309 2.736 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)NC[C@@H]1CCN(CC(F)(F)F)C1)c1cccs1 ZINC000043143720 551140941 /nfs/dbraw/zinc/14/09/41/551140941.db2.gz MNDXGEAQPOBKCG-STQMWFEESA-N 1 0 378.464 2.534 20 0 GFADRO C[NH+](C)CC(C)(C)CNC(=O)c1cnn(-c2ccc(Br)cc2)c1 ZINC000044278592 551143840 /nfs/dbraw/zinc/14/38/40/551143840.db2.gz QXOLJCNEGYFURL-UHFFFAOYSA-N 1 0 379.302 2.952 20 0 GFADRO C[C@@H](CNS(=O)(=O)c1ccccc1Br)[N@@H+]1CCC[C@H](C)C1 ZINC000045745012 551148107 /nfs/dbraw/zinc/14/81/07/551148107.db2.gz APNWDOYRGWXXGS-STQMWFEESA-N 1 0 375.332 2.848 20 0 GFADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)NCc2ccc(Br)s2)C1 ZINC000048093538 551155817 /nfs/dbraw/zinc/15/58/17/551155817.db2.gz QUUTYLJWIYFCFT-LBPRGKRZSA-N 1 0 390.347 2.667 20 0 GFADRO CC1CC[NH+](CCCNC(=O)C(=O)Nc2cccc(Br)c2)CC1 ZINC000049298539 551158677 /nfs/dbraw/zinc/15/86/77/551158677.db2.gz MQAKINVGQPYPOL-UHFFFAOYSA-N 1 0 382.302 2.626 20 0 GFADRO C[C@@H](CNS(=O)(=O)c1ccccc1OC(F)(F)F)C[NH+]1CCCCC1 ZINC000055281374 551172852 /nfs/dbraw/zinc/17/28/52/551172852.db2.gz KDDUJAZGLJZYQJ-ZDUSSCGKSA-N 1 0 380.432 2.986 20 0 GFADRO C[C@H](CC[NH+](C)C)NC(=O)NCCNc1ncc(C(F)(F)F)cc1Cl ZINC000068600700 551192211 /nfs/dbraw/zinc/19/22/11/551192211.db2.gz WYJAASHAXXHHSS-SNVBAGLBSA-N 1 0 381.830 2.805 20 0 GFADRO COc1cc(C[NH2+][C@H](CO)CC(C)C)cc(I)c1OC ZINC000068840017 551193470 /nfs/dbraw/zinc/19/34/70/551193470.db2.gz AQIMLLZYYWWBNW-LBPRGKRZSA-N 1 0 393.265 2.805 20 0 GFADRO CC[C@@H](CO)[NH+]1CCN(CC2=Cc3cc(Br)ccc3OC2)CC1 ZINC000093740243 551195515 /nfs/dbraw/zinc/19/55/15/551195515.db2.gz WVJKLDPMPKGPGZ-KRWDZBQOSA-N 1 0 381.314 2.613 20 0 GFADRO OCCCSCC[NH2+]Cc1cc(Br)c2c(c1)OCCCO2 ZINC000105643335 551199491 /nfs/dbraw/zinc/19/94/91/551199491.db2.gz IULFABYKNLZRAI-UHFFFAOYSA-N 1 0 376.316 2.816 20 0 GFADRO C[C@@H]1C[N@@H+](CCCNC(=O)NCc2ccc(Br)cc2)C[C@H](C)O1 ZINC000106524668 551200024 /nfs/dbraw/zinc/20/00/24/551200024.db2.gz XOWYHAOKEPYQJF-OKILXGFUSA-N 1 0 384.318 2.748 20 0 GFADRO CN(CCCN1CC[NH+](C)CC1)C(=O)c1[nH]c2ccccc2c1Br ZINC000110018589 551201982 /nfs/dbraw/zinc/20/19/82/551201982.db2.gz KIUBJYAQEYYYKL-UHFFFAOYSA-N 1 0 393.329 2.640 20 0 GFADRO Cc1ccc(NC(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)cc1Br ZINC000120359566 551219856 /nfs/dbraw/zinc/21/98/56/551219856.db2.gz QFLJCOVBAPGSSX-CZUORRHYSA-N 1 0 394.313 2.639 20 0 GFADRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NCCOc1ccc(Br)cc1 ZINC000120413894 551221146 /nfs/dbraw/zinc/22/11/46/551221146.db2.gz FDMHYTPMDPMQKS-BBRMVZONSA-N 1 0 384.318 2.810 20 0 GFADRO Cc1cccc(NC(=O)C(=O)NCC[NH+]2CCCCCC2)c1Br ZINC000120927363 551222624 /nfs/dbraw/zinc/22/26/24/551222624.db2.gz CXTRUXLIFCOJRY-UHFFFAOYSA-N 1 0 382.302 2.688 20 0 GFADRO CC(C)(C)n1cc(C[NH2+]CCNC(=O)c2ccc(Br)cc2)cn1 ZINC000121143896 551227979 /nfs/dbraw/zinc/22/79/79/551227979.db2.gz ZYJFXZGMPUBIJG-UHFFFAOYSA-N 1 0 379.302 2.920 20 0 GFADRO CC[N@@H+]1CC[C@H](CNC(=O)c2cc(-c3ccc(Br)cc3)n[nH]2)C1 ZINC000121510239 551235825 /nfs/dbraw/zinc/23/58/25/551235825.db2.gz UBPOVMJYPATDGJ-GFCCVEGCSA-N 1 0 377.286 2.911 20 0 GFADRO CCC[C@@H]1CN(C[C@H](O)c2cccc(Br)c2)CC[N@@H+]1CCOC ZINC000121948865 551293133 /nfs/dbraw/zinc/29/31/33/551293133.db2.gz UXOHCDLEKUIDGS-MSOLQXFVSA-N 1 0 385.346 2.915 20 0 GFADRO CC(C)[NH+]1CCN(c2cccc(NC(=O)CSc3nncs3)c2)CC1 ZINC000123272987 551304745 /nfs/dbraw/zinc/30/47/45/551304745.db2.gz CNODTSDCKUGWLA-UHFFFAOYSA-N 1 0 377.539 2.799 20 0 GFADRO C[C@@H](Cn1cc(Br)cn1)[NH2+][C@@H]1CCN(C(=O)C2CCCCC2)C1 ZINC000123849971 551308721 /nfs/dbraw/zinc/30/87/21/551308721.db2.gz BSBMDKYWZCPEBL-XJKSGUPXSA-N 1 0 383.334 2.805 20 0 GFADRO Cc1cc(NC(=O)NC[C@@H](c2cccs2)[NH+](C)C)ccc1S(C)(=O)=O ZINC000124438367 551314730 /nfs/dbraw/zinc/31/47/30/551314730.db2.gz LAKSEIYNCJQCLI-AWEZNQCLSA-N 1 0 381.523 2.884 20 0 GFADRO O=C(c1cnccn1)N1CCC([NH2+]Cc2cc(Br)cs2)CC1 ZINC000124655993 551316167 /nfs/dbraw/zinc/31/61/67/551316167.db2.gz FKNRRQCENPKFHP-UHFFFAOYSA-N 1 0 381.299 2.695 20 0 GFADRO O=C(c1cncc(I)c1)N1CCC([NH2+]C2CCCC2)CC1 ZINC000124673502 551316715 /nfs/dbraw/zinc/31/67/15/551316715.db2.gz OVCOBTATSHDFCE-UHFFFAOYSA-N 1 0 399.276 2.823 20 0 GFADRO CC(C)(C[NH2+]Cc1cc(Br)ccc1OC(F)F)S(C)(=O)=O ZINC000125513899 551322171 /nfs/dbraw/zinc/32/21/71/551322171.db2.gz BWKZQHULKLBRPH-UHFFFAOYSA-N 1 0 386.258 2.963 20 0 GFADRO Cc1cc(Br)cc(C(=O)N2CCC(C[NH+]3CCN(C)CC3)CC2)c1 ZINC000125706014 551323063 /nfs/dbraw/zinc/32/30/63/551323063.db2.gz FWSBCKJVHBPUTM-UHFFFAOYSA-N 1 0 394.357 2.857 20 0 GFADRO CC[NH+](CC)[C@H](C)CNS(=O)(=O)c1cc(N(C)C)ccc1Br ZINC000126771928 551332622 /nfs/dbraw/zinc/33/26/22/551332622.db2.gz MSJCYZLEDIFIIZ-GFCCVEGCSA-N 1 0 392.363 2.524 20 0 GFADRO COc1ccc([C@@H](C)[NH2+]C[C@H](O)COC2CCOCC2)cc1Br ZINC000127252422 551338861 /nfs/dbraw/zinc/33/88/61/551338861.db2.gz GSHXYJAEVZJBEL-OCCSQVGLSA-N 1 0 388.302 2.665 20 0 GFADRO CC[C@H](C)[C@@H](C)[N@H+](CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl)C1CC1 ZINC000127306783 551339810 /nfs/dbraw/zinc/33/98/10/551339810.db2.gz LRXCSJCOLIXVCT-NWDGAFQWSA-N 1 0 387.933 2.825 20 0 GFADRO COc1cc(NC(=O)N2CC[C@H](C[NH+](C)C)C2)cc(OC)c1Br ZINC000127320646 551340006 /nfs/dbraw/zinc/34/00/06/551340006.db2.gz LZWOCAXZPIYFGN-LLVKDONJSA-N 1 0 386.290 2.882 20 0 GFADRO O=C(c1cccc(I)c1)N1CCC([NH2+]CC2CC2)CC1 ZINC000127508377 551341642 /nfs/dbraw/zinc/34/16/42/551341642.db2.gz AHVLKSMYXLDING-UHFFFAOYSA-N 1 0 384.261 2.895 20 0 GFADRO COc1ccc2oc(C[NH2+]CCNS(=O)(=O)c3ccc(C)s3)cc2c1 ZINC000127650226 551342931 /nfs/dbraw/zinc/34/29/31/551342931.db2.gz GAJRAVKEKZPGFQ-UHFFFAOYSA-N 1 0 380.491 2.879 20 0 GFADRO COc1cc([C@@H](C)[NH2+]CCc2ccc(S(N)(=O)=O)cc2)ccc1SC ZINC000128062568 551346018 /nfs/dbraw/zinc/34/60/18/551346018.db2.gz YQSUZSRGFXPVFA-CYBMUJFWSA-N 1 0 380.535 2.958 20 0 GFADRO O=C(C[C@H]1CC[NH2+]C1)Nc1ccc(CCn2cc(Br)cn2)cc1 ZINC000129697332 551358766 /nfs/dbraw/zinc/35/87/66/551358766.db2.gz UIRWNZTZVJLYSN-CQSZACIVSA-N 1 0 377.286 2.826 20 0 GFADRO O=C(Cc1ccccc1I)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000130115749 551362368 /nfs/dbraw/zinc/36/23/68/551362368.db2.gz NBNOFFIQOLYIFD-HNNXBMFYSA-N 1 0 398.288 2.921 20 0 GFADRO O=C(CCC[S@](=O)c1ccc(Br)cc1)NC[C@@H]1CCCC[NH2+]1 ZINC000130738464 551368704 /nfs/dbraw/zinc/36/87/04/551368704.db2.gz WNANXMVAGMMAKZ-RCDICMHDSA-N 1 0 387.343 2.595 20 0 GFADRO NC(=O)[C@H]([NH2+][C@H]1CCO[C@]2(CCSC2)C1)c1ccc(Br)cc1 ZINC000131050780 551371609 /nfs/dbraw/zinc/37/16/09/551371609.db2.gz VELPFUVQBPXYDJ-SQWLQELKSA-N 1 0 385.327 2.620 20 0 GFADRO Cc1cc(NC(=O)[C@H](C)[NH2+][C@H]2CCCC[C@@H]2C(N)=O)ccc1Br ZINC000131108032 551372476 /nfs/dbraw/zinc/37/24/76/551372476.db2.gz KANQIXJLLARBQS-WHOFXGATSA-N 1 0 382.302 2.718 20 0 GFADRO CCC(CC)[C@@H](C[NH2+][C@@H](C)Cn1cc(Br)cn1)N1CCOCC1 ZINC000131789542 551375991 /nfs/dbraw/zinc/37/59/91/551375991.db2.gz QFCJYVKNSMMRLJ-WMLDXEAASA-N 1 0 387.366 2.761 20 0 GFADRO C[N@H+](CC(=O)Nc1cccc(I)c1)[C@@H](CO)C(C)(C)C ZINC000134428580 551385393 /nfs/dbraw/zinc/38/53/93/551385393.db2.gz DLHNCQLBTYCZML-ZDUSSCGKSA-N 1 0 390.265 2.569 20 0 GFADRO O=C([C@@H]1CC12CC[NH2+]CC2)N1CCO[C@@H](c2cccc(Br)c2)C1 ZINC000136994611 551390499 /nfs/dbraw/zinc/39/04/99/551390499.db2.gz RFLFUFUZYWXKLL-JKSUJKDBSA-N 1 0 379.298 2.739 20 0 GFADRO O=C(NCCC[NH+]1CCCC1)NC[C@@H](O)COc1cccc(Cl)c1Cl ZINC000138363705 551391686 /nfs/dbraw/zinc/39/16/86/551391686.db2.gz AYCDHYVUONYQCQ-CYBMUJFWSA-N 1 0 390.311 2.518 20 0 GFADRO O=S(=O)(NC[C@@H]1CN(Cc2ccccc2)CCO1)c1ccc(Cl)s1 ZINC000143121951 551395501 /nfs/dbraw/zinc/39/55/01/551395501.db2.gz UMEBQJJZUZUSHZ-CQSZACIVSA-N 1 0 386.926 2.581 20 0 GFADRO CSc1ccc(Cl)cc1NC(=O)C(=O)NCC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000146669980 551397309 /nfs/dbraw/zinc/39/73/09/551397309.db2.gz PCHDVWBGFKRSOP-QXMXGUDHSA-N 1 0 381.929 2.989 20 0 GFADRO CS(=O)(=O)c1cc(C(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)ccc1Cl ZINC000150743037 551401312 /nfs/dbraw/zinc/40/13/12/551401312.db2.gz KDCCEZARVGMYML-HNNXBMFYSA-N 1 0 384.929 2.834 20 0 GFADRO O[C@@H](COc1ccc(Br)cc1)CN1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150820445 551402109 /nfs/dbraw/zinc/40/21/09/551402109.db2.gz BGNCHRNWXNPYKX-NVXWUHKLSA-N 1 0 383.330 2.607 20 0 GFADRO C[NH2+][C@H]1CCCN(C(=O)CCC[S@](=O)c2ccc(Br)cc2)C1 ZINC000150979538 551404547 /nfs/dbraw/zinc/40/45/47/551404547.db2.gz SMOMLHXDCWKLRI-RCDICMHDSA-N 1 0 387.343 2.547 20 0 GFADRO O=C(NCCOc1ncc(Cl)cc1Cl)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000151038656 551406313 /nfs/dbraw/zinc/40/63/13/551406313.db2.gz SFPQKAFAUISDBR-ZDUSSCGKSA-N 1 0 387.311 2.895 20 0 GFADRO COC(=O)CS(=O)(=O)Cc1ccc(C[NH2+]Cc2ccc(Cl)s2)cc1 ZINC000151286280 551410853 /nfs/dbraw/zinc/41/08/53/551410853.db2.gz KAFLQKTVLXXELT-UHFFFAOYSA-N 1 0 387.910 2.779 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)Nc1ccc(Br)nc1 ZINC000151598400 551417513 /nfs/dbraw/zinc/41/75/13/551417513.db2.gz DNZBVUDXIWCFOZ-CYBMUJFWSA-N 1 0 397.317 2.553 20 0 GFADRO O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000151624167 551418191 /nfs/dbraw/zinc/41/81/91/551418191.db2.gz UULHINQJDLNCIU-ZDUSSCGKSA-N 1 0 378.416 2.692 20 0 GFADRO O=S(=O)(c1ccc(F)cc1Br)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000151632132 551418323 /nfs/dbraw/zinc/41/83/23/551418323.db2.gz QRTQZMUVPPVPQC-LBPRGKRZSA-N 1 0 391.306 2.695 20 0 GFADRO COc1ccc(C(=O)N(CC[NH+](C)C)C(C)C)c(I)c1 ZINC000151984615 551424362 /nfs/dbraw/zinc/42/43/62/551424362.db2.gz KZKLPXJVZJJNRR-UHFFFAOYSA-N 1 0 390.265 2.712 20 0 GFADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)Nc2ccc(Cl)cc2Cl)CC1 ZINC000152079862 551425748 /nfs/dbraw/zinc/42/57/48/551425748.db2.gz IOXKBELDHNCOIM-OAHLLOKOSA-N 1 0 385.295 2.764 20 0 GFADRO C[C@@H]1C[N@@H+](CCCNC(=O)c2c(F)cc(Br)cc2F)C[C@H](C)O1 ZINC000152626491 551437141 /nfs/dbraw/zinc/43/71/41/551437141.db2.gz SZAUERXGNGIXPE-PHIMTYICSA-N 1 0 391.256 2.956 20 0 GFADRO CCNC(=O)N1CC[C@H]([NH2+]Cc2nc(-c3ccc(Br)cc3)c[nH]2)C1 ZINC000152770153 551439480 /nfs/dbraw/zinc/43/94/80/551439480.db2.gz RPXUKVZCDRCVHG-AWEZNQCLSA-N 1 0 392.301 2.733 20 0 GFADRO C[N@@H+]1CC[C@H]2[C@H](CCCN2S(=O)(=O)c2ccccc2OC(F)(F)F)C1 ZINC000152855159 551441193 /nfs/dbraw/zinc/44/11/93/551441193.db2.gz QXUZHEGEDHJWDG-OLZOCXBDSA-N 1 0 378.416 2.690 20 0 GFADRO C[C@@H](C[NH2+][C@@H](C)CC(=O)Nc1cccc(Br)c1)CN1CCOCC1 ZINC000153116310 551446756 /nfs/dbraw/zinc/44/67/56/551446756.db2.gz RLTXJTZNJHFEAD-GJZGRUSLSA-N 1 0 398.345 2.724 20 0 GFADRO C[C@@H]1CN(C(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)C[C@@H](C)[NH2+]1 ZINC000153196889 551447814 /nfs/dbraw/zinc/44/78/14/551447814.db2.gz YUWDLRXLHNKMJB-HSMVNMDESA-N 1 0 384.307 2.807 20 0 GFADRO C[C@](O)(CNC(=O)NC1CC[NH+](Cc2ccsc2)CC1)c1cccs1 ZINC000154327496 551472646 /nfs/dbraw/zinc/47/26/46/551472646.db2.gz HINUGPSLKAUAAT-SFHVURJKSA-N 1 0 379.551 2.981 20 0 GFADRO Cc1ccc(Br)c(NC(=O)C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)c1 ZINC000154341027 551472814 /nfs/dbraw/zinc/47/28/14/551472814.db2.gz PBHRTRYAZDGHPU-OLZOCXBDSA-N 1 0 382.302 2.685 20 0 GFADRO CCN(CC)S(=O)(=O)CC[NH2+][C@H]1CCc2cc(Br)ccc21 ZINC000154754144 551482444 /nfs/dbraw/zinc/48/24/44/551482444.db2.gz APQRMLYSSDXJMQ-HNNXBMFYSA-N 1 0 375.332 2.698 20 0 GFADRO CCOc1cc(Br)ccc1NC(=O)NCCC[N@H+](C)CCOC ZINC000154900327 551485398 /nfs/dbraw/zinc/48/53/98/551485398.db2.gz TVMGUUFQNKXPRB-UHFFFAOYSA-N 1 0 388.306 2.938 20 0 GFADRO Cc1cc(Br)ccc1CNC(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000154944352 551486362 /nfs/dbraw/zinc/48/63/62/551486362.db2.gz NKUJUHIDVPQISR-UHFFFAOYSA-N 1 0 398.345 2.746 20 0 GFADRO O=C(CC[NH+]1CCC(OCCCO)CC1)Nc1ccc(Br)cc1 ZINC000154956901 551486790 /nfs/dbraw/zinc/48/67/90/551486790.db2.gz HCBVHCKEYQABCO-UHFFFAOYSA-N 1 0 385.302 2.641 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H]1C(=O)NCC1(c2ccc(Br)cc2)CCOCC1 ZINC000155146128 551492638 /nfs/dbraw/zinc/49/26/38/551492638.db2.gz GJQPFIPRIYNJHP-JKSUJKDBSA-N 1 0 381.314 2.741 20 0 GFADRO CCN(CC)C(=O)C[NH+]1CCC(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000155163760 551493094 /nfs/dbraw/zinc/49/30/94/551493094.db2.gz SJSSNWGUMRKZKQ-UHFFFAOYSA-N 1 0 396.329 2.968 20 0 GFADRO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)c1ccncc1Br ZINC000155188457 551494238 /nfs/dbraw/zinc/49/42/38/551494238.db2.gz GPBJRROAGUSKCD-DYVFJYSZSA-N 1 0 389.297 2.880 20 0 GFADRO CN(C[C@@H]1CC[N@H+](C)C1)C(=O)c1cc(I)ccc1Cl ZINC000155345395 551498144 /nfs/dbraw/zinc/49/81/44/551498144.db2.gz AGGXJIBKHPMGHH-SNVBAGLBSA-N 1 0 392.668 2.968 20 0 GFADRO C[NH+]1CCC(C(=O)NCCCOc2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000155756476 551507032 /nfs/dbraw/zinc/50/70/32/551507032.db2.gz OVMMNXPVLGLBAY-UHFFFAOYSA-N 1 0 379.810 2.981 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)c2c(F)cccc2I)C[N@@H+]1C1CC1 ZINC000155863544 551510048 /nfs/dbraw/zinc/51/00/48/551510048.db2.gz VOSVFEDYIMANGQ-NXEZZACHSA-N 1 0 388.224 2.785 20 0 GFADRO C[C@@H]1CCC[N@H+](CCNC(=O)c2cc(=O)[nH]c3ccc(Br)cc32)C1 ZINC000156195627 551517175 /nfs/dbraw/zinc/51/71/75/551517175.db2.gz CXNUIYSEROVAQK-GFCCVEGCSA-N 1 0 392.297 2.752 20 0 GFADRO CC[NH+]1CCC(CCNS(=O)(=O)c2cc(F)ccc2Br)CC1 ZINC000156387452 551521731 /nfs/dbraw/zinc/52/17/31/551521731.db2.gz PWXYMNHQGMDMFK-UHFFFAOYSA-N 1 0 393.322 2.989 20 0 GFADRO COc1cc([C@H](C)[NH2+]CCCN(C)CC(F)(F)F)ccc1S(C)(=O)=O ZINC000156381663 551522013 /nfs/dbraw/zinc/52/20/13/551522013.db2.gz SJNBPWUNQNJVIH-LBPRGKRZSA-N 1 0 382.448 2.634 20 0 GFADRO CC(=O)N1CC[C@H](C[N@@H+](C)Cc2nnc(-c3ccccc3Br)o2)C1 ZINC000156792880 551528793 /nfs/dbraw/zinc/52/87/93/551528793.db2.gz ZSUKFFKGWKHHEI-CYBMUJFWSA-N 1 0 393.285 2.799 20 0 GFADRO C[C@H](CNC(=O)C[NH2+]C[C@H]1CCCO1)Sc1ccc(Br)cc1 ZINC000157561273 551539253 /nfs/dbraw/zinc/53/92/53/551539253.db2.gz DNCLMJFQMMDTBF-TZMCWYRMSA-N 1 0 387.343 2.815 20 0 GFADRO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)CCc1nc(-c2cc(Br)cs2)no1 ZINC000157590700 551539754 /nfs/dbraw/zinc/53/97/54/551539754.db2.gz XQVXXQNGTWVZJW-ONGXEEELSA-N 1 0 399.314 2.737 20 0 GFADRO CC(C)OC(=O)CC[N@@H+]1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000157722925 551541580 /nfs/dbraw/zinc/54/15/80/551541580.db2.gz BNOXLOLEVHYJHN-ZDUSSCGKSA-N 1 0 398.301 2.836 20 0 GFADRO C[C@@H]1CN(C(=O)Nc2cc(F)c(F)cc2I)CC[C@@H]1[NH3+] ZINC000415242280 563763422 /nfs/dbraw/zinc/76/34/22/563763422.db2.gz UKTVXRFSHDDOPD-HQJQHLMTSA-N 1 0 395.191 2.770 20 0 GFADRO Cc1cc(NC(=O)C(=O)NC2CCC(C[NH+](C)C)CC2)ccc1Br ZINC000158107961 551546673 /nfs/dbraw/zinc/54/66/73/551546673.db2.gz OBFFFEABNPFNRP-UHFFFAOYSA-N 1 0 396.329 2.933 20 0 GFADRO CN(CC[NH2+]Cc1cccc(Br)c1)S(=O)(=O)c1cccs1 ZINC000158275112 551549668 /nfs/dbraw/zinc/54/96/68/551549668.db2.gz KTJNSFXTARZSDV-UHFFFAOYSA-N 1 0 389.340 2.921 20 0 GFADRO CCOc1ccc(C[NH2+]CCN(C)S(=O)(=O)c2cccs2)cc1OC ZINC000158338480 551550641 /nfs/dbraw/zinc/55/06/41/551550641.db2.gz JIJXJVGOWUYSOW-UHFFFAOYSA-N 1 0 384.523 2.566 20 0 GFADRO COC(=O)C1=NOC2(C1)CC[NH+](Cc1cc(Br)ccc1OC)CC2 ZINC000158546178 551553232 /nfs/dbraw/zinc/55/32/32/551553232.db2.gz WEPKXRGCMKPLOM-UHFFFAOYSA-N 1 0 397.269 2.742 20 0 GFADRO C[C@H](Cc1ccc(Br)cc1)C(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000158692529 551554815 /nfs/dbraw/zinc/55/48/15/551554815.db2.gz DPVLXTNSHIRCEZ-PBHICJAKSA-N 1 0 383.330 2.591 20 0 GFADRO C[NH+]1CCC(NC(=O)NCc2cc(Br)ccc2OC(F)F)CC1 ZINC000158656821 551554845 /nfs/dbraw/zinc/55/48/45/551554845.db2.gz RQUZSGBTIIESDR-UHFFFAOYSA-N 1 0 392.244 2.944 20 0 GFADRO C[C@H](C[S@@](C)=O)N(C)C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000158830178 551557297 /nfs/dbraw/zinc/55/72/97/551557297.db2.gz YSFMWFMWJAQYJN-BZQUYTCOSA-N 1 0 383.583 2.509 20 0 GFADRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)Nc1ccc(F)cc1I ZINC000415252409 563764208 /nfs/dbraw/zinc/76/42/08/563764208.db2.gz OICBBMIVEPJICJ-DTWKUNHWSA-N 1 0 377.201 2.644 20 0 GFADRO C[C@@H](CNC(=O)C[C@H](C)c1ccc(Br)cc1)C[NH+]1CCN(C)CC1 ZINC000162223888 551605529 /nfs/dbraw/zinc/60/55/29/551605529.db2.gz FKIBIISHWMVSPH-HOTGVXAUSA-N 1 0 396.373 2.942 20 0 GFADRO C[C@H]([NH2+]CCNS(=O)(=O)Cc1ccon1)c1ccc(Cl)c(Cl)c1 ZINC000162352021 551607140 /nfs/dbraw/zinc/60/71/40/551607140.db2.gz RBOUMCHOMZUCPW-JTQLQIEISA-N 1 0 378.281 2.752 20 0 GFADRO O=S(=O)(c1cc(F)c(Br)cc1F)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000162435411 551608358 /nfs/dbraw/zinc/60/83/58/551608358.db2.gz ASICLPQWAFWODX-JTQLQIEISA-N 1 0 395.269 2.586 20 0 GFADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(Cc2csc(-c3cccs3)n2)CC1 ZINC000162459024 551608485 /nfs/dbraw/zinc/60/84/85/551608485.db2.gz POJGVCRXKFEFEW-OAHLLOKOSA-N 1 0 376.551 2.610 20 0 GFADRO Cc1cc(I)ccc1NC(=O)C[NH2+][C@H](C)[C@@H]1CCOC1 ZINC000162868399 551613800 /nfs/dbraw/zinc/61/38/00/551613800.db2.gz ILUOVKFVIUYTCM-VXGBXAGGSA-N 1 0 388.249 2.553 20 0 GFADRO C[C@H]([NH2+]Cc1nnnn1-c1ccc(Cl)cc1C(F)(F)F)[C@H]1CCOC1 ZINC000163067926 551615405 /nfs/dbraw/zinc/61/54/05/551615405.db2.gz KUTLIKYCWSXEFF-UWVGGRQHSA-N 1 0 375.782 2.849 20 0 GFADRO CC[N@@H+]1CCCN(C(=O)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000163264950 551618171 /nfs/dbraw/zinc/61/81/71/551618171.db2.gz UIYDLKHTYTXJMI-UHFFFAOYSA-N 1 0 377.794 2.852 20 0 GFADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)Cc1c[nH]c2cc(Br)ccc12 ZINC000163528329 551620492 /nfs/dbraw/zinc/62/04/92/551620492.db2.gz VFDLAVWMXUYCMV-HNNXBMFYSA-N 1 0 394.313 2.700 20 0 GFADRO CC(C)C[C@H](C[NH3+])NC(=O)Nc1ccc(F)cc1I ZINC000415253309 563763971 /nfs/dbraw/zinc/76/39/71/563763971.db2.gz PPDPFMUUSIVUPY-SNVBAGLBSA-N 1 0 379.217 2.925 20 0 GFADRO C[C@H](CO[C@@H]1CCOC1)[NH2+][C@@H](C)CC(=O)Nc1cccc(Br)c1 ZINC000166385194 551631988 /nfs/dbraw/zinc/63/19/88/551631988.db2.gz BQSXIMNBDHFZFR-WOSRLPQWSA-N 1 0 385.302 2.950 20 0 GFADRO O=C(C[C@@H]1C[NH2+]CCO1)Nc1ccc(Oc2cccc(Br)c2)nc1 ZINC000166922377 551632368 /nfs/dbraw/zinc/63/23/68/551632368.db2.gz UGLKEKPWVWCYRF-OAHLLOKOSA-N 1 0 392.253 2.953 20 0 GFADRO COCCCN(C)CC[NH2+][C@@H](C)c1ccc(I)cc1 ZINC000166825152 551632580 /nfs/dbraw/zinc/63/25/80/551632580.db2.gz FJGYKIAXOQGKCS-ZDUSSCGKSA-N 1 0 376.282 2.910 20 0 GFADRO O=C(CN1CC[C@H]([NH+]2CCCC2)C1)Nc1c(F)cc(F)cc1Br ZINC000170744382 551638910 /nfs/dbraw/zinc/63/89/10/551638910.db2.gz CILBAXYNRGEPFC-LBPRGKRZSA-N 1 0 388.256 2.836 20 0 GFADRO COCC[N@H+](C)CCNC(=O)c1cc(C)nc2cc(Br)ccc21 ZINC000171127861 551647656 /nfs/dbraw/zinc/64/76/56/551647656.db2.gz BFNCXHMOYHEOHQ-UHFFFAOYSA-N 1 0 380.286 2.614 20 0 GFADRO CC(C)[N@H+](C)CCNC(=O)NC[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000171162290 551648499 /nfs/dbraw/zinc/64/84/99/551648499.db2.gz JBVUOPUZTVBDBE-OAHLLOKOSA-N 1 0 397.361 2.915 20 0 GFADRO Cc1c(Br)cccc1NC(=O)C(=O)NC[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000171224718 551649970 /nfs/dbraw/zinc/64/99/70/551649970.db2.gz SNYDYDICRUMLQE-STQMWFEESA-N 1 0 396.329 2.933 20 0 GFADRO O=C(NCCC[NH+]1CCCC1)c1ccn(-c2cccc(Br)c2)n1 ZINC000171533380 551657638 /nfs/dbraw/zinc/65/76/38/551657638.db2.gz XJXULVOWNAYWJG-UHFFFAOYSA-N 1 0 377.286 2.851 20 0 GFADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)N[C@H]1CCCOC1 ZINC000171609695 551659147 /nfs/dbraw/zinc/65/91/47/551659147.db2.gz YJHLLAAPYFRGLQ-INIZCTEOSA-N 1 0 384.318 2.701 20 0 GFADRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(Cc2cncc(Br)c2)CC1 ZINC000172191034 551673038 /nfs/dbraw/zinc/67/30/38/551673038.db2.gz WYLKRPUAPAHDBH-HOTGVXAUSA-N 1 0 381.362 2.835 20 0 GFADRO C[NH+](C)C[C@H]1CCN(C(=O)C(=O)Nc2ccccc2SC(F)(F)F)C1 ZINC000172293465 551675550 /nfs/dbraw/zinc/67/55/50/551675550.db2.gz PEKBAVDENQDYAX-LLVKDONJSA-N 1 0 375.416 2.647 20 0 GFADRO C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)N1CCC[N@@H+](C2CC2)CC1 ZINC000172542199 551681458 /nfs/dbraw/zinc/68/14/58/551681458.db2.gz BCTAECFNCYCPSY-OAHLLOKOSA-N 1 0 394.357 2.966 20 0 GFADRO O=S(=O)(NCCN1CCc2sccc2C1)c1cc(F)c(F)c(F)c1 ZINC000173058542 551693601 /nfs/dbraw/zinc/69/36/01/551693601.db2.gz HJPFBAJLMXKZCQ-UHFFFAOYSA-N 1 0 376.425 2.502 20 0 GFADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)N[C@H](C)c1ccc(Br)s1 ZINC000443189428 563794497 /nfs/dbraw/zinc/79/44/97/563794497.db2.gz BKEMSRBOLWHWSU-VXGBXAGGSA-N 1 0 389.363 2.507 20 0 GFADRO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)[C@H]2SCCc3sccc32)CC1 ZINC000173123829 552078302 /nfs/dbraw/zinc/07/83/02/552078302.db2.gz YPESBYCQHLUPQY-YJBOKZPZSA-N 1 0 379.595 2.707 20 0 GFADRO O=S(=O)(c1ccc(F)c(Br)c1)N1CCC([NH+]2CCCC2)CC1 ZINC000173194340 552079195 /nfs/dbraw/zinc/07/91/95/552079195.db2.gz OUHHUEDORGUPJR-UHFFFAOYSA-N 1 0 391.306 2.837 20 0 GFADRO COc1cc(Cl)c(S(=O)(=O)N(C)[C@H]2CC[N@H+](C)C[C@@H]2C)cc1Cl ZINC000173244924 552080834 /nfs/dbraw/zinc/08/08/34/552080834.db2.gz XUVHITHGTGHVNC-GWCFXTLKSA-N 1 0 381.325 2.963 20 0 GFADRO Cc1cc(N2CC[C@H](N(C)Cc3cc(Br)ccc3F)C2=O)n(C)n1 ZINC000173260923 552081654 /nfs/dbraw/zinc/08/16/54/552081654.db2.gz JSSONLIGMSHPGH-HNNXBMFYSA-N 1 0 395.276 2.867 20 0 GFADRO O=C(Nc1ccccc1Br)C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000173568299 552088416 /nfs/dbraw/zinc/08/84/16/552088416.db2.gz ZTSJPCDRZMLLBK-AWEZNQCLSA-N 1 0 394.313 2.768 20 0 GFADRO CC[NH+](CC)C[C@H]1CCN(C(=O)c2ccc(Cl)c(NS(C)(=O)=O)c2)C1 ZINC000173586957 552088686 /nfs/dbraw/zinc/08/86/86/552088686.db2.gz KUTOQOMNHLHZCW-CYBMUJFWSA-N 1 0 387.933 2.515 20 0 GFADRO CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2cccc(Br)c2)C1 ZINC000173643778 552089938 /nfs/dbraw/zinc/08/99/38/552089938.db2.gz AYXUKOHQOQSTOD-CYBMUJFWSA-N 1 0 382.302 2.578 20 0 GFADRO COC(=O)c1ccc(S(=O)(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)c(Cl)c1 ZINC000173671743 552090920 /nfs/dbraw/zinc/09/09/20/552090920.db2.gz GWIGQYRPPWZIRY-CQSZACIVSA-N 1 0 388.917 2.622 20 0 GFADRO Cc1ccc(Br)cc1C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000173836737 552093874 /nfs/dbraw/zinc/09/38/74/552093874.db2.gz CICCKFKKYKLFNT-AWEZNQCLSA-N 1 0 381.314 2.988 20 0 GFADRO CC[N@H+](C)C[C@H]1CCN(S(=O)(=O)c2cc(Br)ccc2C)C1 ZINC000174021405 552097022 /nfs/dbraw/zinc/09/70/22/552097022.db2.gz JSYNNMWKERDQTK-CYBMUJFWSA-N 1 0 375.332 2.720 20 0 GFADRO COCCOC[C@H]1CCN(CCS(=O)(=O)c2cc(Cl)ccc2Cl)C1 ZINC000174103322 552098856 /nfs/dbraw/zinc/09/88/56/552098856.db2.gz PYMJEMHMBBBSEP-ZDUSSCGKSA-N 1 0 396.336 2.752 20 0 GFADRO C[C@H](Oc1cc(Cl)cc(Cl)c1)C(=O)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000174177477 552101305 /nfs/dbraw/zinc/10/13/05/552101305.db2.gz PTTSONAUCRJBNT-UONOGXRCSA-N 1 0 387.307 2.941 20 0 GFADRO O=C(CCc1cc(Br)cs1)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000174177164 552101434 /nfs/dbraw/zinc/10/14/34/552101434.db2.gz HQJQJVGOTUZTNY-CYBMUJFWSA-N 1 0 387.343 2.624 20 0 GFADRO Cc1nc(SCCC(=O)N(CC[NH+](C)C)Cc2cccc(Cl)c2)n[nH]1 ZINC000174353868 552102797 /nfs/dbraw/zinc/10/27/97/552102797.db2.gz UTWZLVIVBQQDAF-UHFFFAOYSA-N 1 0 381.933 2.839 20 0 GFADRO CCS[C@H]1CC[C@H]([N@H+](C)CC(=O)N2CCN(Cc3cccs3)CC2)C1 ZINC000174342518 552102888 /nfs/dbraw/zinc/10/28/88/552102888.db2.gz FLRHPANWOPFYRY-IRXDYDNUSA-N 1 0 381.611 2.998 20 0 GFADRO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1c(F)cc(Br)cc1F ZINC000174906577 552112435 /nfs/dbraw/zinc/11/24/35/552112435.db2.gz CZPCYNZAQQGDPC-VIFPVBQESA-N 1 0 392.244 2.512 20 0 GFADRO COCC[NH+]1CCC(NC(=O)Nc2ccc(Br)c(OC)c2)CC1 ZINC000175011786 552113432 /nfs/dbraw/zinc/11/34/32/552113432.db2.gz AOBBYBPLFSJDDQ-UHFFFAOYSA-N 1 0 386.290 2.690 20 0 GFADRO O=C(NCCCc1ccc(Cl)cc1Cl)NCC1CC[NH+](CCO)CC1 ZINC000175493249 552123548 /nfs/dbraw/zinc/12/35/48/552123548.db2.gz NVPAMHGPHMCSLK-UHFFFAOYSA-N 1 0 388.339 2.930 20 0 GFADRO C[NH+]1CCN(c2ccc(NC(=O)c3c(F)cccc3Br)cn2)CC1 ZINC000175861681 552130483 /nfs/dbraw/zinc/13/04/83/552130483.db2.gz VFDDAROVBGYULJ-UHFFFAOYSA-N 1 0 393.260 2.987 20 0 GFADRO O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000175883184 552131227 /nfs/dbraw/zinc/13/12/27/552131227.db2.gz CKYMJVXABXQEJL-WFASDCNBSA-N 1 0 377.432 2.594 20 0 GFADRO COC(=O)CNC(=O)CC[N@@H+]1CCC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000175932144 552132528 /nfs/dbraw/zinc/13/25/28/552132528.db2.gz PFJWIXQOFUEMCD-ZDUSSCGKSA-N 1 0 389.279 2.516 20 0 GFADRO O=C(NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1)NC[C@]1(O)CCSC1 ZINC000176205460 552136574 /nfs/dbraw/zinc/13/65/74/552136574.db2.gz VRUQDOFRDZJBKR-FUHWJXTLSA-N 1 0 383.945 2.644 20 0 GFADRO CCC[N@H+](CC)CCNC(=O)C(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000176211084 552136664 /nfs/dbraw/zinc/13/66/64/552136664.db2.gz BWGKAVKLLAVOCV-UHFFFAOYSA-N 1 0 377.819 2.728 20 0 GFADRO CN(CCCN1CC[NH+](C)CC1)C(=O)c1cc(Cl)ccc1OC(F)F ZINC000176351596 552139203 /nfs/dbraw/zinc/13/92/03/552139203.db2.gz KRZYLDUEHMCBRO-UHFFFAOYSA-N 1 0 375.847 2.651 20 0 GFADRO CCn1cc(Br)cc1C(=O)NC1CC[NH+](CCOC(C)C)CC1 ZINC000176687566 552144199 /nfs/dbraw/zinc/14/41/99/552144199.db2.gz SNZSIEARIXTZQH-UHFFFAOYSA-N 1 0 386.334 2.890 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000176801568 552146154 /nfs/dbraw/zinc/14/61/54/552146154.db2.gz XESFWZYNBIZUNZ-CQSZACIVSA-N 1 0 382.302 2.944 20 0 GFADRO Cc1ccc(C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)cc1Br ZINC000176869102 552147765 /nfs/dbraw/zinc/14/77/65/552147765.db2.gz KVAIDDOXSSDBLZ-CQSZACIVSA-N 1 0 381.314 2.988 20 0 GFADRO CN1CCN(S(=O)(=O)c2ccc(F)cc2C(F)(F)F)c2c[nH+]ccc21 ZINC000176976031 552148125 /nfs/dbraw/zinc/14/81/25/552148125.db2.gz TZYZMKLMGSAMKB-UHFFFAOYSA-N 1 0 375.347 2.885 20 0 GFADRO C[NH+](C)C1CCN(CCNC(=O)[C@@H]2C[C@@H]2c2ccc(Br)cc2)CC1 ZINC000177157926 552150834 /nfs/dbraw/zinc/15/08/34/552150834.db2.gz TWURGPIJAUIOGQ-QZTJIDSGSA-N 1 0 394.357 2.695 20 0 GFADRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2cc(=O)[nH]c3c(Br)cccc23)C1 ZINC000177652661 552156299 /nfs/dbraw/zinc/15/62/99/552156299.db2.gz YGMBSTIGXIPQPZ-GFCCVEGCSA-N 1 0 392.297 2.704 20 0 GFADRO NS(=O)(=O)CCC[NH+]1CCC(OCc2ccc(Cl)c(Cl)c2)CC1 ZINC000177718035 552157660 /nfs/dbraw/zinc/15/76/60/552157660.db2.gz MHJBQMPCZLQVKU-UHFFFAOYSA-N 1 0 381.325 2.653 20 0 GFADRO CC(C)[NH+]1CCC(NC(=O)N[C@@H](CO)c2cccc(Br)c2)CC1 ZINC000177869593 552160645 /nfs/dbraw/zinc/16/06/45/552160645.db2.gz DOPBZPINHSJZIG-INIZCTEOSA-N 1 0 384.318 2.655 20 0 GFADRO Cn1cc(Br)cc(NC(=O)NCCC[NH2+]C2CCCCC2)c1=O ZINC000177978535 552162133 /nfs/dbraw/zinc/16/21/33/552162133.db2.gz JUQCCBPVCRCXMB-UHFFFAOYSA-N 1 0 385.306 2.582 20 0 GFADRO O=C(c1cc2cc(Br)ccc2[nH]1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000178072152 552163774 /nfs/dbraw/zinc/16/37/74/552163774.db2.gz SNXTZHZZMNFNOH-ZDUSSCGKSA-N 1 0 392.297 2.725 20 0 GFADRO O=C(CCc1ccc(Br)cc1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000178112827 552164123 /nfs/dbraw/zinc/16/41/23/552164123.db2.gz ZOHZMMDXJOLKMD-MRXNPFEDSA-N 1 0 381.314 2.562 20 0 GFADRO O=C(c1ccc(Br)c(Cl)c1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000178418975 552170047 /nfs/dbraw/zinc/17/00/47/552170047.db2.gz RYYYAYXLEBLQNX-LBPRGKRZSA-N 1 0 387.705 2.897 20 0 GFADRO C[C@H]([NH2+]C[C@@H](O)COc1ccc(I)cc1)c1ccoc1 ZINC000178519837 552172202 /nfs/dbraw/zinc/17/22/02/552172202.db2.gz WSVWSYICWYCUJP-SMDDNHRTSA-N 1 0 387.217 2.975 20 0 GFADRO O[C@@H](CN1CC[NH+](CC2CCOCC2)CC1)c1ccccc1Br ZINC000178702959 552173704 /nfs/dbraw/zinc/17/37/04/552173704.db2.gz OHBYMXIGBCBBPI-SFHVURJKSA-N 1 0 383.330 2.527 20 0 GFADRO CCOc1cc(Br)c(CC(=O)NC[C@H]2CCC[NH2+]2)cc1OCC ZINC000178726031 552174207 /nfs/dbraw/zinc/17/42/07/552174207.db2.gz ATUNQQUWHMDHPY-CYBMUJFWSA-N 1 0 385.302 2.657 20 0 GFADRO Cc1nn(-c2ccc(C(=O)NC[C@@H]3CCC[NH2+]3)cc2)c(C)c1Br ZINC000178778209 552174683 /nfs/dbraw/zinc/17/46/83/552174683.db2.gz CBWYJXPABATLCN-AWEZNQCLSA-N 1 0 377.286 2.733 20 0 GFADRO COC(=O)c1ccc(Cl)cc1S(=O)(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000178883343 552178231 /nfs/dbraw/zinc/17/82/31/552178231.db2.gz MHMZPZPASPVJCU-UHFFFAOYSA-N 1 0 388.917 2.525 20 0 GFADRO CCCN(C(=O)c1nnn(-c2cccc(Br)c2)c1C)[C@H]1CC[NH2+]C1 ZINC000178892197 552178608 /nfs/dbraw/zinc/17/86/08/552178608.db2.gz BILLTAGVIBYUMW-HNNXBMFYSA-N 1 0 392.301 2.552 20 0 GFADRO CCCN(C(=O)c1ccc(S(=O)(=O)c2ccccc2)s1)[C@H]1CC[NH2+]C1 ZINC000178887502 552178650 /nfs/dbraw/zinc/17/86/50/552178650.db2.gz XRAULAMXXPNNQX-AWEZNQCLSA-N 1 0 378.519 2.795 20 0 GFADRO C[NH2+]C[C@@H]1CCN(C(=O)c2c(C)c3cc(Br)ccc3oc2=O)C1 ZINC000179002298 552181834 /nfs/dbraw/zinc/18/18/34/552181834.db2.gz RJVVMRXEXWBXPY-NSHDSACASA-N 1 0 379.254 2.545 20 0 GFADRO COC(=O)c1cc(Br)ccc1NC(=O)N1CC[NH+](C(C)C)CC1 ZINC000179210506 552186842 /nfs/dbraw/zinc/18/68/42/552186842.db2.gz NZZOMUHWYCQOGW-UHFFFAOYSA-N 1 0 384.274 2.794 20 0 GFADRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+]C[C@@H](O)c2ccc(Cl)c(F)c2)cc1 ZINC000179502578 552195017 /nfs/dbraw/zinc/19/50/17/552195017.db2.gz DLDMPQLKULKWBI-APPDUMDISA-N 1 0 386.876 2.771 20 0 GFADRO C[C@H]([NH2+]CC(=O)N(C)CCOc1ccc(Br)cc1)C1CCOCC1 ZINC000179840796 552204566 /nfs/dbraw/zinc/20/45/66/552204566.db2.gz VMKHOQAFABOARO-AWEZNQCLSA-N 1 0 399.329 2.691 20 0 GFADRO C[C@H]([NH2+]CC(=O)Nc1ccc(I)cc1)C1CCOCC1 ZINC000179868785 552205669 /nfs/dbraw/zinc/20/56/69/552205669.db2.gz AJNOZSVKOYSOMF-NSHDSACASA-N 1 0 388.249 2.634 20 0 GFADRO Cc1cc(C[N@@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)ccc1Br ZINC000179891573 552205992 /nfs/dbraw/zinc/20/59/92/552205992.db2.gz IHTYNMIRYWOIFW-INIZCTEOSA-N 1 0 381.314 2.828 20 0 GFADRO NC(=O)C[C@@H]1CCC[N@H+](Cc2cnn(-c3ccc(Br)cc3)c2)C1 ZINC000180064166 552211774 /nfs/dbraw/zinc/21/17/74/552211774.db2.gz MYBHFESABGUCPL-ZDUSSCGKSA-N 1 0 377.286 2.722 20 0 GFADRO CN1CCN(C(=O)CC[NH2+][C@H](c2ccc(Br)cc2)C2CC2)CC1 ZINC000180091440 552212853 /nfs/dbraw/zinc/21/28/53/552212853.db2.gz QVJCBDQUNCTJJX-SFHVURJKSA-N 1 0 380.330 2.654 20 0 GFADRO O=C(C[C@@H](O)c1cc(Cl)cc(Cl)c1)NCCCC[N@H+]1CCC[C@@H]1CO ZINC000180200849 552217117 /nfs/dbraw/zinc/21/71/17/552217117.db2.gz LUSWJLLVKKLONZ-IAGOWNOFSA-N 1 0 389.323 2.770 20 0 GFADRO CC[C@H]([NH2+]CCS(=O)(=O)NC[C@H]1CCCCO1)c1ccc(Cl)s1 ZINC000180745171 552234745 /nfs/dbraw/zinc/23/47/45/552234745.db2.gz FRFCLYJOXDWACK-OLZOCXBDSA-N 1 0 380.963 2.931 20 0 GFADRO C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]CCS(=O)(=O)C(C)(C)C ZINC000180806262 552236684 /nfs/dbraw/zinc/23/66/84/552236684.db2.gz XAJAIGSROYLPRO-CQSZACIVSA-N 1 0 388.961 2.880 20 0 GFADRO CC(=O)N1CC[C@H](C[N@@H+](C)Cc2cc(Br)c3c(c2)OCCO3)C1 ZINC000180824985 552237166 /nfs/dbraw/zinc/23/71/66/552237166.db2.gz HBRUASJYRVDJQN-CYBMUJFWSA-N 1 0 383.286 2.521 20 0 GFADRO CCc1ccc([C@H](C)[NH2+]C2CCN(S(=O)(=O)C3CCOCC3)CC2)s1 ZINC000180984536 552241794 /nfs/dbraw/zinc/24/17/94/552241794.db2.gz XFBUDKPVJKFZSD-AWEZNQCLSA-N 1 0 386.583 2.934 20 0 GFADRO Cc1nc(-c2ccccc2F)sc1[C@@H](C)[NH2+]CCOCCS(C)(=O)=O ZINC000181146947 552248408 /nfs/dbraw/zinc/24/84/08/552248408.db2.gz VJLDAQIKNXCAMF-GFCCVEGCSA-N 1 0 386.514 2.969 20 0 GFADRO C[C@@H]([NH2+]CCOc1ncccc1Cl)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000181320178 552252995 /nfs/dbraw/zinc/25/29/95/552252995.db2.gz YNRXOCLLLAHLFW-CYBMUJFWSA-N 1 0 383.901 2.715 20 0 GFADRO COc1cc([C@@H](C)[NH2+]CCOc2ccc(Cl)cn2)ccc1S(C)(=O)=O ZINC000181325485 552253499 /nfs/dbraw/zinc/25/34/99/552253499.db2.gz SPODXCPRDHZCKP-GFCCVEGCSA-N 1 0 384.885 2.877 20 0 GFADRO C[C@H]([NH2+]C[C@@H](O)COc1ccc(I)cc1)c1cccnc1 ZINC000181409728 552255994 /nfs/dbraw/zinc/25/59/94/552255994.db2.gz QXPZTWKARNKJOG-SWLSCSKDSA-N 1 0 398.244 2.777 20 0 GFADRO C[C@H]([NH2+][C@H]1CCO[C@]2(CCSC2)C1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000181447005 552257020 /nfs/dbraw/zinc/25/70/20/552257020.db2.gz ZSDMSOOEPVZLMJ-QILLFSRXSA-N 1 0 384.567 2.642 20 0 GFADRO C[C@@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH2+]CC1(CO)COC1 ZINC000181543016 552260401 /nfs/dbraw/zinc/26/04/01/552260401.db2.gz UNQJRFXQCRMLQS-JTQLQIEISA-N 1 0 380.794 2.674 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)c(NC(=O)NCC[NH+](C)C)c1C ZINC000181640071 552263614 /nfs/dbraw/zinc/26/36/14/552263614.db2.gz CSSULXOZSAJLBS-UHFFFAOYSA-N 1 0 380.290 2.935 20 0 GFADRO C[C@@H]([NH2+]C[C@H](O)CS(=O)(=O)c1cccs1)c1cccc(OC(F)F)c1 ZINC000181638153 552263694 /nfs/dbraw/zinc/26/36/94/552263694.db2.gz RSTXQVSTYSOCAQ-YPMHNXCESA-N 1 0 391.461 2.835 20 0 GFADRO Cc1cc(Cl)ccc1NC(=O)CN[C@@H](CS(C)(=O)=O)c1ccccc1 ZINC000181780162 552267650 /nfs/dbraw/zinc/26/76/50/552267650.db2.gz JUPXFAYGIHNZHF-KRWDZBQOSA-N 1 0 380.897 2.962 20 0 GFADRO CC[C@H]([NH2+]CCS(=O)(=O)NC(C)C)c1cc(F)cc(Br)c1 ZINC000181925696 552270923 /nfs/dbraw/zinc/27/09/23/552270923.db2.gz WVUVLFNEYDTWIF-AWEZNQCLSA-N 1 0 381.311 2.957 20 0 GFADRO NC(=O)C[C@@H]([NH2+]C[C@@H](O)COc1cccc(Br)c1)C1CCCCC1 ZINC000182027485 552273152 /nfs/dbraw/zinc/27/31/52/552273152.db2.gz IDHFDULFAQHLBW-NVXWUHKLSA-N 1 0 399.329 2.603 20 0 GFADRO CN(C)C(=O)[C@@H]1CC[C@@H](C[NH2+]CC2=Cc3cc(Cl)cc(Cl)c3OC2)O1 ZINC000182036811 552273657 /nfs/dbraw/zinc/27/36/57/552273657.db2.gz YUQUXZBGAQXDOS-HOCLYGCPSA-N 1 0 385.291 2.995 20 0 GFADRO CC(C)(C)OC(=O)CNC(=O)C[NH2+]C1(c2cccc(Br)c2)CCC1 ZINC000182142986 552276478 /nfs/dbraw/zinc/27/64/78/552276478.db2.gz KKCXAQQEUDLNLY-UHFFFAOYSA-N 1 0 397.313 2.876 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1CCCNS(=O)(=O)c1ccc(OCC(F)F)cc1 ZINC000182385026 552282445 /nfs/dbraw/zinc/28/24/45/552282445.db2.gz RGCYEPGLCXCUSP-CQSZACIVSA-N 1 0 376.469 2.873 20 0 GFADRO Cc1nc2n(n1)C[C@H]([NH2+][C@H]1CCN(c3ccc(Cl)c(Cl)c3)C1=O)CC2 ZINC000182445216 552284528 /nfs/dbraw/zinc/28/45/28/552284528.db2.gz LJRBCVOGTDRLPJ-ABAIWWIYSA-N 1 0 380.279 2.603 20 0 GFADRO COC(=O)CC[N@@H+]1CCN(CCCc2ccccc2Br)[C@@H](C)C1 ZINC000182460433 552285039 /nfs/dbraw/zinc/28/50/39/552285039.db2.gz UBSJFPCFCGHZCC-HNNXBMFYSA-N 1 0 383.330 2.951 20 0 GFADRO CS(=O)(=O)[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](O)COc1cccc(Cl)c1Cl ZINC000182608684 552288922 /nfs/dbraw/zinc/28/89/22/552288922.db2.gz RYGRNHQGWMBRLI-CORIIIEPSA-N 1 0 396.336 2.679 20 0 GFADRO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)c1cccc(Br)n1 ZINC000182633295 552289495 /nfs/dbraw/zinc/28/94/95/552289495.db2.gz KPJCUYDPIUCAGR-ZFWWWQNUSA-N 1 0 389.297 2.880 20 0 GFADRO COc1ccc(CC[NH2+][C@H]2CCCC[C@H]2S(C)(=O)=O)cc1OC(F)F ZINC000182741624 552292322 /nfs/dbraw/zinc/29/23/22/552292322.db2.gz PRAYMTCSSOLCLR-XJKSGUPXSA-N 1 0 377.453 2.785 20 0 GFADRO C[NH+](C)CCOc1cc(C(=O)NCc2sccc2Br)ccn1 ZINC000183134750 552301541 /nfs/dbraw/zinc/30/15/41/552301541.db2.gz UKQXCOCDRCQEFN-UHFFFAOYSA-N 1 0 384.299 2.776 20 0 GFADRO Cc1[nH]cc(C(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)c(=O)c1Br ZINC000183199529 552302736 /nfs/dbraw/zinc/30/27/36/552302736.db2.gz LVWDWDYJZSKVCB-CYBMUJFWSA-N 1 0 382.302 2.949 20 0 GFADRO CC1(CNC(=O)c2cnn(-c3cccc(Br)c3)c2)CC[NH2+]CC1 ZINC000183381827 552307926 /nfs/dbraw/zinc/30/79/26/552307926.db2.gz KFAIZQQXPKDZAG-UHFFFAOYSA-N 1 0 377.286 2.754 20 0 GFADRO CCS(=O)(=O)C[C@H](C)[NH2+]C[C@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000183408176 552308508 /nfs/dbraw/zinc/30/85/08/552308508.db2.gz LJSOVBDDAJZVLN-DXCKQFNASA-N 1 0 376.925 2.885 20 0 GFADRO O=C(NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1coc(Br)c1 ZINC000183414209 552308638 /nfs/dbraw/zinc/30/86/38/552308638.db2.gz CITGRIQSWPHZRA-OAHLLOKOSA-N 1 0 379.254 2.539 20 0 GFADRO COc1cc(/C=C/C(=O)N2CCC[C@@H]([NH+](C)C)C2)cc(Br)c1O ZINC000183550513 552313012 /nfs/dbraw/zinc/31/30/12/552313012.db2.gz AGUJQMHPQPFDIT-KTRBRXNASA-N 1 0 383.286 2.729 20 0 GFADRO C[C@H](NC(=O)C[NH2+][C@H](CO)c1ccccc1)c1ccc(Br)cc1 ZINC000183634052 552314927 /nfs/dbraw/zinc/31/49/27/552314927.db2.gz MWIAHCGOKIBCOP-SUMWQHHRSA-N 1 0 377.282 2.950 20 0 GFADRO CC[N@H+](CCO)CCNC(=O)c1cc(C)n(-c2ccc(Cl)cc2Cl)n1 ZINC000183939847 552323159 /nfs/dbraw/zinc/32/31/59/552323159.db2.gz MNGROXPVXAMXQF-UHFFFAOYSA-N 1 0 385.295 2.532 20 0 GFADRO CC[N@H+](CCO)CCNC(=O)c1ccc(Br)c(C(F)(F)F)c1 ZINC000184005910 552325002 /nfs/dbraw/zinc/32/50/02/552325002.db2.gz YTRQHVDWVTYOJJ-UHFFFAOYSA-N 1 0 383.208 2.512 20 0 GFADRO O=C(c1cccc(Br)c1Cl)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000184138668 552327927 /nfs/dbraw/zinc/32/79/27/552327927.db2.gz NJFSFEVFSNXBQG-GFCCVEGCSA-N 1 0 387.705 2.897 20 0 GFADRO CCOc1cc(C[NH2+][C@@]2(CO)CCOC2)cc(Br)c1OC(F)F ZINC000184192252 552329475 /nfs/dbraw/zinc/32/94/75/552329475.db2.gz RUJYMKHYOOKOGJ-OAHLLOKOSA-N 1 0 396.228 2.690 20 0 GFADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)Nc1cc(Br)ccc1F ZINC000184330418 552332867 /nfs/dbraw/zinc/33/28/67/552332867.db2.gz ITFZFOAEDWPCPI-LBPRGKRZSA-N 1 0 387.297 2.736 20 0 GFADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)c1ccc(C2SCCS2)cc1 ZINC000184359682 552333185 /nfs/dbraw/zinc/33/31/85/552333185.db2.gz RQDGQDCXHIOUKK-HNNXBMFYSA-N 1 0 379.595 2.921 20 0 GFADRO Cc1nc(-c2cccs2)sc1C(=O)N[C@@H](C)CC[NH+]1CCN(C)CC1 ZINC000184387309 552334517 /nfs/dbraw/zinc/33/45/17/552334517.db2.gz GTJFMNOWZLKGJA-ZDUSSCGKSA-N 1 0 378.567 2.936 20 0 GFADRO COCC[N@H+](C)CCCNC(=O)NCc1cc2cc(Br)ccc2[nH]1 ZINC000184730646 552342810 /nfs/dbraw/zinc/34/28/10/552342810.db2.gz CEPIFRUYWBVLBC-UHFFFAOYSA-N 1 0 397.317 2.698 20 0 GFADRO Cc1cc(Br)c(F)cc1NC(=O)N[C@@H](C)CN1CC[NH+](C)CC1 ZINC000184816150 552344713 /nfs/dbraw/zinc/34/47/13/552344713.db2.gz DTUXEPWHOCUVKI-LBPRGKRZSA-N 1 0 387.297 2.654 20 0 GFADRO Cc1c(Br)scc1C(=O)NCCCC[N@@H+]1CCC[C@H]1CO ZINC000185115222 552354624 /nfs/dbraw/zinc/35/46/24/552354624.db2.gz GEQQHSAWTKZDBL-LBPRGKRZSA-N 1 0 375.332 2.786 20 0 GFADRO CS(=O)(=O)CCCCC[NH2+]Cc1cn(-c2ccc(Cl)c(Cl)c2)nn1 ZINC000185205947 552356704 /nfs/dbraw/zinc/35/67/04/552356704.db2.gz OKXBMMCWSYVRQJ-UHFFFAOYSA-N 1 0 391.324 2.879 20 0 GFADRO Cc1cc(N2CC[C@H](N[C@@H]3CC[N@H+](C)[C@H](C)C3)C2=O)ccc1Br ZINC000185359513 552361806 /nfs/dbraw/zinc/36/18/06/552361806.db2.gz GRXGDASURDDMNE-CPUCHLNUSA-N 1 0 380.330 2.935 20 0 GFADRO CC(C)(C)[NH2+]CCNC(=O)c1ncc(Br)cc1Br ZINC000185385300 552362281 /nfs/dbraw/zinc/36/22/81/552362281.db2.gz OIJJPKXDPFAUCD-UHFFFAOYSA-N 1 0 379.096 2.725 20 0 GFADRO C[S@](=O)CCC[NH2+]Cc1cc(Br)cc(Br)c1N ZINC000185839423 552372133 /nfs/dbraw/zinc/37/21/33/552372133.db2.gz IPGHZLWVOWCLTP-KRWDZBQOSA-N 1 0 384.137 2.652 20 0 GFADRO COC[C@](C)(CCO)[NH2+]Cc1cc(Br)cc(Br)c1N ZINC000185853453 552372200 /nfs/dbraw/zinc/37/22/00/552372200.db2.gz XJEISBLGYLYBAO-ZDUSSCGKSA-N 1 0 396.123 2.671 20 0 GFADRO O[C@H](COc1ccc(Cl)cc1Cl)C[NH+]1CCC(Cn2cncn2)CC1 ZINC000186211513 552382265 /nfs/dbraw/zinc/38/22/65/552382265.db2.gz QBZXREXYIXFWBA-HNNXBMFYSA-N 1 0 385.295 2.737 20 0 GFADRO O=S1(=O)CC[C@@H]([NH2+][C@@H]2CCN(c3ncccc3Cl)C2)c2ccccc21 ZINC000186246735 552382799 /nfs/dbraw/zinc/38/27/99/552382799.db2.gz CMUINZXJFGAPCL-CZUORRHYSA-N 1 0 377.897 2.822 20 0 GFADRO CCCOC[C@H](Cc1cccc(Br)c1)[NH2+]C1CCN(C(N)=O)CC1 ZINC000186503845 552389791 /nfs/dbraw/zinc/38/97/91/552389791.db2.gz ZGAFUAOWMFKAIL-KRWDZBQOSA-N 1 0 398.345 2.920 20 0 GFADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N(C)Cc1ccc(Cl)cc1 ZINC000186602886 552391906 /nfs/dbraw/zinc/39/19/06/552391906.db2.gz KZUDCXVFUGVFGM-UHFFFAOYSA-N 1 0 384.933 2.536 20 0 GFADRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)c1ccc(Cl)c(I)c1 ZINC000186758457 552397088 /nfs/dbraw/zinc/39/70/88/552397088.db2.gz JPUBKUIEHNVVKF-PELKAZGASA-N 1 0 378.641 2.672 20 0 GFADRO CCCNC(=O)C[C@@H](C(N)=O)[N@H+](CCC)Cc1cccc(Br)c1C ZINC000186876947 552400022 /nfs/dbraw/zinc/40/00/22/552400022.db2.gz BOPOVQZDBFRCJY-INIZCTEOSA-N 1 0 398.345 2.740 20 0 GFADRO C[C@@H](Oc1ccccc1Br)C(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C ZINC000186895659 552401084 /nfs/dbraw/zinc/40/10/84/552401084.db2.gz URCUWSODIVHCLU-ZIAGYGMSSA-N 1 0 399.329 2.520 20 0 GFADRO Nc1c(Br)cc(Br)cc1C[NH2+]CCSCCCO ZINC000187310334 552412064 /nfs/dbraw/zinc/41/20/64/552412064.db2.gz RLYYAZVPHWPYNP-UHFFFAOYSA-N 1 0 398.164 2.999 20 0 GFADRO CC(C)(CNC(=O)NCC[N@@H+]1CCCOCC1)c1ccccc1Br ZINC000187322505 552412272 /nfs/dbraw/zinc/41/22/72/552412272.db2.gz GOPUEMMVORWAKI-UHFFFAOYSA-N 1 0 398.345 2.748 20 0 GFADRO CSC[C@](C)(O)C[NH2+]Cc1cc(Br)cc(Br)c1N ZINC000187406225 552414903 /nfs/dbraw/zinc/41/49/03/552414903.db2.gz CNQKTGIMNWIKJM-GFCCVEGCSA-N 1 0 398.164 2.997 20 0 GFADRO CC[NH+]1CCN([C@H]2CCN(C(=O)Cc3ccc(C)c(Br)c3)C2)CC1 ZINC000187463116 552416674 /nfs/dbraw/zinc/41/66/74/552416674.db2.gz AAJKRKVSXQVQRK-KRWDZBQOSA-N 1 0 394.357 2.538 20 0 GFADRO CCO[C@H]1C[C@@]([NH3+])(C(=O)N(C)CCc2ccc(Br)cc2)C1(C)C ZINC000187653496 552421259 /nfs/dbraw/zinc/42/12/59/552421259.db2.gz BYIKXXWPVMZPPQ-MAUKXSAKSA-N 1 0 383.330 2.983 20 0 GFADRO CN(CC[N@H+](C)C1CC1)C(=O)C(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000187718086 552422585 /nfs/dbraw/zinc/42/25/85/552422585.db2.gz SVWUBNYZRWZDHB-UHFFFAOYSA-N 1 0 377.794 2.850 20 0 GFADRO C[C@@H](CC(=O)Nc1ccc(Br)cc1)[N@H+](C)[C@@H](C)C[S@](C)=O ZINC000187829714 552425329 /nfs/dbraw/zinc/42/53/29/552425329.db2.gz MDSDAXHTTMXTGM-OABGYEMISA-N 1 0 375.332 2.865 20 0 GFADRO Cc1ccc(CC(=O)NC[C@H](C(C)C)N2CCOCC2)cc1Br ZINC000188094310 552434592 /nfs/dbraw/zinc/43/45/92/552434592.db2.gz FESOOKBYBXBFLV-QGZVFWFLSA-N 1 0 383.330 2.773 20 0 GFADRO Cc1cc(Br)cc(NC(=O)C(=O)NC2CCC(C[NH+](C)C)CC2)c1 ZINC000188140604 552436596 /nfs/dbraw/zinc/43/65/96/552436596.db2.gz BSFKQCKRKBWHNA-UHFFFAOYSA-N 1 0 396.329 2.933 20 0 GFADRO Cc1csc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c1I ZINC000188158878 552437257 /nfs/dbraw/zinc/43/72/57/552437257.db2.gz YYRWOFWMSZPSKT-MNOVXSKESA-N 1 0 390.290 2.970 20 0 GFADRO COc1nc(C)c(Br)cc1C(=O)NC[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000188206090 552439246 /nfs/dbraw/zinc/43/92/46/552439246.db2.gz NYEMYEJPYSEPSZ-ZDUSSCGKSA-N 1 0 384.318 2.869 20 0 GFADRO C[C@@H](Cc1ccc(Br)cc1)[NH2+][C@H]1CCCN(c2ccn(C)n2)C1=O ZINC000188298073 552441503 /nfs/dbraw/zinc/44/15/03/552441503.db2.gz GUZGOTFSLWCQDW-BBRMVZONSA-N 1 0 391.313 2.899 20 0 GFADRO C[N@H+](Cc1cc(Br)c2c(c1)OCCCO2)CC1(O)CCOCC1 ZINC000188839192 552456166 /nfs/dbraw/zinc/45/61/66/552456166.db2.gz DSFWCPBKSLRKPO-UHFFFAOYSA-N 1 0 386.286 2.584 20 0 GFADRO Cn1nccc1CNc1ccc(CN2CC[NH+](C)CC2)c(Br)c1 ZINC000188883680 552457486 /nfs/dbraw/zinc/45/74/86/552457486.db2.gz NRVHXAZLHROAOU-UHFFFAOYSA-N 1 0 378.318 2.542 20 0 GFADRO COCCC[N@H+](CCO)Cc1cc(Br)cc(Br)c1N ZINC000188930493 552459288 /nfs/dbraw/zinc/45/92/88/552459288.db2.gz VGAWNVNZGAHWDZ-UHFFFAOYSA-N 1 0 396.123 2.625 20 0 GFADRO CC(C)Oc1cc(Br)cc(C(=O)NCC[N@@H+]2CCCOCC2)c1 ZINC000189395313 552470843 /nfs/dbraw/zinc/47/08/43/552470843.db2.gz OECMUXXRYGPSIP-UHFFFAOYSA-N 1 0 385.302 2.688 20 0 GFADRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1CCC(=O)Nc1ccc(Br)cc1 ZINC000189433145 552471610 /nfs/dbraw/zinc/47/16/10/552471610.db2.gz CWJGIAMYSWSWRQ-CQSZACIVSA-N 1 0 398.345 2.555 20 0 GFADRO Cc1ccc(Br)c(NC(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)c1 ZINC000190016485 552485384 /nfs/dbraw/zinc/48/53/84/552485384.db2.gz DIXYVVNNFJTAIV-CQSZACIVSA-N 1 0 394.313 2.783 20 0 GFADRO C[N@@H+]1CC[C@H]2[C@H](CCCN2S(=O)(=O)c2ccc(CC(F)(F)F)cc2)C1 ZINC000190079632 552486853 /nfs/dbraw/zinc/48/68/53/552486853.db2.gz KPOQGZONVKOFPI-ZBFHGGJFSA-N 1 0 376.444 2.896 20 0 GFADRO C[C@]1(c2ccc(Br)cc2)CC(=O)N(CC[NH+]2CCCCC2)C1=O ZINC000190092077 552487142 /nfs/dbraw/zinc/48/71/42/552487142.db2.gz WNAUOURDFUNLQI-GOSISDBHSA-N 1 0 379.298 2.952 20 0 GFADRO C[C@@H]1CN(C(=O)Nc2cc(Br)ccc2F)CC[N@@H+]1CC(C)(C)O ZINC000190189752 552489624 /nfs/dbraw/zinc/48/96/24/552489624.db2.gz UBDNXSJKJHLYRV-LLVKDONJSA-N 1 0 388.281 2.897 20 0 GFADRO CNC(=O)CN1CCC([NH2+][C@@H](c2ccc(Br)s2)C2CC2)CC1 ZINC000190582556 552502231 /nfs/dbraw/zinc/50/22/31/552502231.db2.gz AVQUOQYEIGEYGS-MRXNPFEDSA-N 1 0 386.359 2.762 20 0 GFADRO Cc1cc(F)c(Br)cc1NC(=O)N1CC[N@@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000190942656 552513744 /nfs/dbraw/zinc/51/37/44/552513744.db2.gz DOJFBCARFMOTEU-VXGBXAGGSA-N 1 0 388.281 2.815 20 0 GFADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)c2scc(C)c2Br)CC1 ZINC000190966566 552515224 /nfs/dbraw/zinc/51/52/24/552515224.db2.gz BKTZKPUFRKTLNE-LBPRGKRZSA-N 1 0 388.375 2.822 20 0 GFADRO Cc1cc(C(=O)Nc2ccc(CN3CC[NH+](C)CC3)c(Br)c2)no1 ZINC000191090314 552518751 /nfs/dbraw/zinc/51/87/51/552518751.db2.gz WAGHFSHDXZJHPK-UHFFFAOYSA-N 1 0 393.285 2.745 20 0 GFADRO FC(F)(F)c1nnc(N2CCCN(CCC[NH+]3CCCCC3)CC2)s1 ZINC000191304633 552524223 /nfs/dbraw/zinc/52/42/23/552524223.db2.gz NIFWCXBINOEFET-UHFFFAOYSA-N 1 0 377.480 2.945 20 0 GFADRO CCCN(CCC[NH+](C)C)C(=O)Nc1cccc(S(=O)(=O)C(F)F)c1 ZINC000191387831 552526688 /nfs/dbraw/zinc/52/66/88/552526688.db2.gz VWMKQIDHZOLHKG-UHFFFAOYSA-N 1 0 377.457 2.879 20 0 GFADRO COC(=O)[C@H](C)C[N@H+](C)Cc1ccc(Br)cc1N1CCOCC1 ZINC000191615651 552533411 /nfs/dbraw/zinc/53/34/11/552533411.db2.gz IJGWHCZQHVZXQL-CYBMUJFWSA-N 1 0 385.302 2.527 20 0 GFADRO C[C@@H](O)C1CC[NH+](Cc2ccc(Br)cc2N2CCOCC2)CC1 ZINC000191639829 552533976 /nfs/dbraw/zinc/53/39/76/552533976.db2.gz VSOKIWLPZXIING-CQSZACIVSA-N 1 0 383.330 2.879 20 0 GFADRO Cc1c(Br)cccc1CC(=O)NC[C@@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000191677866 552534458 /nfs/dbraw/zinc/53/44/58/552534458.db2.gz KZRABVUHQLHDEO-SFHVURJKSA-N 1 0 396.373 2.688 20 0 GFADRO COC(=O)c1scc(C)c1S(=O)(=O)NC[C@@H](C1CCCCC1)[NH+](C)C ZINC000191885304 552541174 /nfs/dbraw/zinc/54/11/74/552541174.db2.gz JQDZVZAADFTTRJ-AWEZNQCLSA-N 1 0 388.555 2.632 20 0 GFADRO C[C@@H]1C[NH+](CCCNC(=O)c2cc(Br)c(F)cc2F)C[C@@H](C)O1 ZINC000191896871 552541553 /nfs/dbraw/zinc/54/15/53/552541553.db2.gz PQNUOTITFNKJNX-GHMZBOCLSA-N 1 0 391.256 2.956 20 0 GFADRO O=C(C[NH2+][C@@H]1CCO[C@H]1c1ccccc1)Nc1ccc(Br)cn1 ZINC000191932649 552543353 /nfs/dbraw/zinc/54/33/53/552543353.db2.gz UXIDUWBAWDIRQE-PBHICJAKSA-N 1 0 376.254 2.902 20 0 GFADRO COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000192004687 552545379 /nfs/dbraw/zinc/54/53/79/552545379.db2.gz YNNSLYMJNUJNSN-NSHDSACASA-N 1 0 386.279 2.637 20 0 GFADRO CC[NH+]1CCN([C@H]2CCN(C(=O)c3scc(C)c3Br)C2)CC1 ZINC000192041668 552547247 /nfs/dbraw/zinc/54/72/47/552547247.db2.gz PUXWAQCLNMWLHI-ZDUSSCGKSA-N 1 0 386.359 2.671 20 0 GFADRO O=C1[C@@H](N2CCC[N@@H+](C3CC3)CC2)CCN1c1cccc(Br)c1 ZINC000192072138 552549020 /nfs/dbraw/zinc/54/90/20/552549020.db2.gz IEOICOVBHGZTBC-KRWDZBQOSA-N 1 0 378.314 2.725 20 0 GFADRO Cn1nc(Br)cc1C(=O)Nc1ccc2ccn(CC[NH+](C)C)c2c1 ZINC000192338966 552560494 /nfs/dbraw/zinc/56/04/94/552560494.db2.gz CKQRLWYXTPFIRS-UHFFFAOYSA-N 1 0 390.285 2.951 20 0 GFADRO CC1(CNS(=O)(=O)c2ccc(Cl)c(Br)c2)CC[NH2+]CC1 ZINC000192389730 552561421 /nfs/dbraw/zinc/56/14/21/552561421.db2.gz SIKCPRJWMCCNJK-UHFFFAOYSA-N 1 0 381.723 2.771 20 0 GFADRO C[C@H](C(=O)Nc1ccccc1Br)N(C)CCN1C[C@@H](C)O[C@@H](C)C1 ZINC000192450115 552563983 /nfs/dbraw/zinc/56/39/83/552563983.db2.gz UJEGMTCWLVIENS-QLFBSQMISA-N 1 0 398.345 2.817 20 0 GFADRO C[C@H]1COCCN1CC[NH2+]C1(c2ccc(Br)cc2)CCOCC1 ZINC000192752043 552972813 /nfs/dbraw/zinc/97/28/13/552972813.db2.gz YZUKBISNONFZJQ-HNNXBMFYSA-N 1 0 383.330 2.765 20 0 GFADRO CCN(CCC[NH+](C)C)S(=O)(=O)c1cc(Br)c(C)cc1OC ZINC000192941137 552978579 /nfs/dbraw/zinc/97/85/79/552978579.db2.gz ASEGIPLMCPRECL-UHFFFAOYSA-N 1 0 393.347 2.728 20 0 GFADRO O=S(=O)(Cc1ccc(Cl)nc1)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000192981391 552979447 /nfs/dbraw/zinc/97/94/47/552979447.db2.gz SMGSMRHSTHGTST-MRXNPFEDSA-N 1 0 379.913 2.677 20 0 GFADRO COc1ccc([C@@H](C)[NH2+]CC(=O)Nc2cc(C)nn2C)cc1Br ZINC000193150274 552984798 /nfs/dbraw/zinc/98/47/98/552984798.db2.gz MXZGOLSTLVNZFI-LLVKDONJSA-N 1 0 381.274 2.789 20 0 GFADRO O=C(NCC[NH+]1CCCC1)[C@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 ZINC000193159988 552985053 /nfs/dbraw/zinc/98/50/53/552985053.db2.gz KSXJNPJKTUASGT-MRXNPFEDSA-N 1 0 384.307 2.810 20 0 GFADRO Cc1csc([C@@H]2CN(C(=O)NC[C@@H](c3cccs3)[NH+](C)C)CCO2)n1 ZINC000193275787 552988276 /nfs/dbraw/zinc/98/82/76/552988276.db2.gz GKAYZHVJIUHXFC-KBPBESRZSA-N 1 0 380.539 2.899 20 0 GFADRO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000193321836 552990100 /nfs/dbraw/zinc/99/01/00/552990100.db2.gz TYQHGRHGYKHBPZ-SWLSCSKDSA-N 1 0 390.933 2.550 20 0 GFADRO O=C(c1ncccc1Br)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000193409304 552992375 /nfs/dbraw/zinc/99/23/75/552992375.db2.gz XRRDTWQQJKEOIO-UHFFFAOYSA-N 1 0 382.302 2.561 20 0 GFADRO CN1CCC(CNC(=O)c2ccoc2Br)([NH+]2CCCCC2)CC1 ZINC000193633383 552998741 /nfs/dbraw/zinc/99/87/41/552998741.db2.gz KTWVUUYOLVZYKD-UHFFFAOYSA-N 1 0 384.318 2.722 20 0 GFADRO C[C@@H]([NH2+]Cc1ccc(C(=O)NCC(N)=O)cc1)c1cc(Br)cs1 ZINC000193978429 553008651 /nfs/dbraw/zinc/00/86/51/553008651.db2.gz HIEOPNYXIGTGGT-SNVBAGLBSA-N 1 0 396.310 2.577 20 0 GFADRO CC(C)[C@H]([NH2+][C@H]1CCc2ccc(Br)cc21)C(=O)N1CCOCC1 ZINC000193989358 553008771 /nfs/dbraw/zinc/00/87/71/553008771.db2.gz JHTLSWPLZPEIKE-IRXDYDNUSA-N 1 0 381.314 2.909 20 0 GFADRO CS(=O)(=O)N1CC[C@@H](C[NH2+]C2CC(c3ccc(Br)cc3)C2)C1 ZINC000194124554 553012134 /nfs/dbraw/zinc/01/21/34/553012134.db2.gz ZSBUUTKBOFGOMI-YGONEPDPSA-N 1 0 387.343 2.566 20 0 GFADRO CC(C)C[NH+]1CCC(NC(=O)[C@H]2Cc3cc(Br)ccc3O2)CC1 ZINC000194185238 553014091 /nfs/dbraw/zinc/01/40/91/553014091.db2.gz SBYJYPBELVJANJ-QGZVFWFLSA-N 1 0 381.314 2.989 20 0 GFADRO O=C([C@H]1Cc2cc(Br)ccc2O1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000194341459 553018338 /nfs/dbraw/zinc/01/83/38/553018338.db2.gz PUDXJBSHTXPJNB-CXAGYDPISA-N 1 0 379.298 2.697 20 0 GFADRO CN(C(=O)[C@@H]1CCN(c2cc(Cl)ccc2Cl)C1=O)C1CC[NH+](C)CC1 ZINC000194428980 553020297 /nfs/dbraw/zinc/02/02/97/553020297.db2.gz ACGDOALSJKQFFL-AWEZNQCLSA-N 1 0 384.307 2.899 20 0 GFADRO [NH3+]C[C@H](NS(=O)(=O)c1cc(F)c(Br)cc1F)C1CCCC1 ZINC000194776274 553029114 /nfs/dbraw/zinc/02/91/14/553029114.db2.gz ZPBVYVFWTGIOCD-LBPRGKRZSA-N 1 0 383.258 2.523 20 0 GFADRO C[C@@H](CNC(=O)c1csc(CC[NH3+])n1)Oc1ccccc1Br ZINC000194814743 553031025 /nfs/dbraw/zinc/03/10/25/553031025.db2.gz CUQZILIXJKUGLB-JTQLQIEISA-N 1 0 384.299 2.604 20 0 GFADRO C[C@H](CNC(=O)c1csc(CC[NH3+])n1)Oc1ccccc1Br ZINC000194814758 553031128 /nfs/dbraw/zinc/03/11/28/553031128.db2.gz CUQZILIXJKUGLB-SNVBAGLBSA-N 1 0 384.299 2.604 20 0 GFADRO COCC[NH+]1CCC(NC(=O)[C@@H]2C[C@@H]2c2cccc(Br)c2)CC1 ZINC000194892389 553032581 /nfs/dbraw/zinc/03/25/81/553032581.db2.gz WEVLIAMCVRVJIO-IAGOWNOFSA-N 1 0 381.314 2.780 20 0 GFADRO COCC[NH+]1CCC(NC(=O)[C@H]2C[C@H]2c2cccc(Br)c2)CC1 ZINC000194892426 553032818 /nfs/dbraw/zinc/03/28/18/553032818.db2.gz WEVLIAMCVRVJIO-IRXDYDNUSA-N 1 0 381.314 2.780 20 0 GFADRO C[NH+]1CCN(c2ccc(NC(=O)c3cc(Br)cs3)cn2)CC1 ZINC000195006483 553035791 /nfs/dbraw/zinc/03/57/91/553035791.db2.gz XOYWZUIJYIYOBB-UHFFFAOYSA-N 1 0 381.299 2.910 20 0 GFADRO COc1cc(Br)c(CNC(=O)C2CC[NH+](C3CC3)CC2)cc1OC ZINC000195443712 553048895 /nfs/dbraw/zinc/04/88/95/553048895.db2.gz QFVVNBGROCFWGB-UHFFFAOYSA-N 1 0 397.313 2.957 20 0 GFADRO O=C(NCC1CC[NH2+]CC1)c1ccc(I)c(Cl)c1 ZINC000226179346 553060869 /nfs/dbraw/zinc/06/08/69/553060869.db2.gz WIWUYTKXJPPBOX-UHFFFAOYSA-N 1 0 378.641 2.674 20 0 GFADRO C[NH2+]CC1CCN(C(=O)c2ccc(F)cc2I)CC1 ZINC000226248248 553061592 /nfs/dbraw/zinc/06/15/92/553061592.db2.gz VADAWVXIFGSAFX-UHFFFAOYSA-N 1 0 376.213 2.502 20 0 GFADRO C[C@H]1CN(C(=O)c2ccc(I)c(Cl)c2)CC[C@@H]1[NH3+] ZINC000226264497 553061682 /nfs/dbraw/zinc/06/16/82/553061682.db2.gz LIHJAZOTQGTFPL-UFBFGSQYSA-N 1 0 378.641 2.754 20 0 GFADRO CN1CCN(C)[C@@H](C[NH2+]Cc2ccc(Br)c(Br)c2)C1 ZINC000228315298 553063398 /nfs/dbraw/zinc/06/33/98/553063398.db2.gz UOVKLIOPWVCNTM-LBPRGKRZSA-N 1 0 391.151 2.547 20 0 GFADRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)c1cc(Cl)ccc1I ZINC000228769680 553063928 /nfs/dbraw/zinc/06/39/28/553063928.db2.gz HBRSAFKFRDJXLM-IUCAKERBSA-N 1 0 378.641 2.754 20 0 GFADRO O=S(=O)(N[C@H]1CC[NH2+]C2(CCC2)C1)c1ccc(Br)c(F)c1 ZINC000232293456 553066653 /nfs/dbraw/zinc/06/66/53/553066653.db2.gz OZXXAIGHWWFZCS-JTQLQIEISA-N 1 0 377.279 2.541 20 0 GFADRO O=S(=O)(N[C@H]1CCN(C2CC2)C1)c1ccc(Cl)c(Br)c1 ZINC000236072919 553068525 /nfs/dbraw/zinc/06/85/25/553068525.db2.gz AAWUFOUBWJAMFK-VIFPVBQESA-N 1 0 379.707 2.618 20 0 GFADRO O=C(NCCOc1cccc(Br)c1)[C@@H]1[NH2+]CCc2ccccc21 ZINC000236573217 553069473 /nfs/dbraw/zinc/06/94/73/553069473.db2.gz ODVCLGUCAZVFRX-QGZVFWFLSA-N 1 0 375.266 2.831 20 0 GFADRO O=C(c1cc(Br)c2c(c1)OCCO2)N1CCC([NH2+]CC2CC2)CC1 ZINC000236645935 553070536 /nfs/dbraw/zinc/07/05/36/553070536.db2.gz MJMXTUBYIWXLEU-UHFFFAOYSA-N 1 0 395.297 2.825 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)N1CCC(C[NH3+])CC1 ZINC000236827642 553071649 /nfs/dbraw/zinc/07/16/49/553071649.db2.gz DCMPZLVGUFZKLV-CQSZACIVSA-N 1 0 384.567 2.548 20 0 GFADRO CCCC[C@@H](C[NH3+])NC(=O)C[C@@H](NC(C)=O)c1ccc(Br)cc1 ZINC000236823253 553071714 /nfs/dbraw/zinc/07/17/14/553071714.db2.gz KQLUTSZQHQNDGK-JKSUJKDBSA-N 1 0 384.318 2.650 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000236826504 553071833 /nfs/dbraw/zinc/07/18/33/553071833.db2.gz TWUUWGNZMHWHPB-GJZGRUSLSA-N 1 0 384.567 2.609 20 0 GFADRO CC(=O)N[C@@H](CC(=O)N(C)CC[C@@H]([NH3+])C(C)C)c1ccc(Br)cc1 ZINC000236830508 553072352 /nfs/dbraw/zinc/07/23/52/553072352.db2.gz JPLQLIJWBVIFKG-SJORKVTESA-N 1 0 398.345 2.848 20 0 GFADRO CCOc1ccc(S(=O)(=O)NCC[C@@H]2CCC[NH2+]C2)cc1Br ZINC000236864170 553072446 /nfs/dbraw/zinc/07/24/46/553072446.db2.gz XFTNYKOXSXLNOE-LBPRGKRZSA-N 1 0 391.331 2.516 20 0 GFADRO CCOc1cc(Br)c(CC(=O)NCC[NH2+]C2CC2)cc1OCC ZINC000236879287 553072932 /nfs/dbraw/zinc/07/29/32/553072932.db2.gz YJSHNECJCIVFAQ-UHFFFAOYSA-N 1 0 385.302 2.657 20 0 GFADRO CCOc1cc(Br)c(CC(=O)NC[C@@H]([NH3+])C2CC2)cc1OCC ZINC000236879364 553073114 /nfs/dbraw/zinc/07/31/14/553073114.db2.gz UKFDLUZAXUTNOR-CQSZACIVSA-N 1 0 385.302 2.643 20 0 GFADRO COc1ccc(Br)cc1C(=O)CCC(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000237110851 553075068 /nfs/dbraw/zinc/07/50/68/553075068.db2.gz UUPYPMDTIDXQGB-ZDUSSCGKSA-N 1 0 383.286 2.679 20 0 GFADRO C[NH2+]CCN(C)C(=O)[C@H](CCSC)NC(=O)c1ccc(Cl)cc1Cl ZINC000237314958 553076383 /nfs/dbraw/zinc/07/63/83/553076383.db2.gz NJXUQERKHIZBMB-AWEZNQCLSA-N 1 0 392.352 2.523 20 0 GFADRO CSCC[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)NC[C@@H](C)C[NH3+] ZINC000237285856 553076706 /nfs/dbraw/zinc/07/67/06/553076706.db2.gz ZARISUKHKFZINS-IINYFYTJSA-N 1 0 392.352 2.556 20 0 GFADRO C[NH2+]C[C@H]1CCCN1C(=O)c1nn(-c2ccc(F)cc2)cc1Br ZINC000237274302 553076729 /nfs/dbraw/zinc/07/67/29/553076729.db2.gz UPNKCWZBEJTFFT-CYBMUJFWSA-N 1 0 381.249 2.598 20 0 GFADRO Cc1c(C(=O)N2C[C@@H](C)[NH2+]C[C@H]2C)cnn1-c1ccc(Br)cc1 ZINC000237381443 553076928 /nfs/dbraw/zinc/07/69/28/553076928.db2.gz LPQRJOLGLVQGNO-VXGBXAGGSA-N 1 0 377.286 2.766 20 0 GFADRO C[NH2+]CC1CCN(C(=O)C2(c3ccc(Br)cc3)CCOCC2)CC1 ZINC000237363117 553077325 /nfs/dbraw/zinc/07/73/25/553077325.db2.gz BIZTXJKUMJAUCP-UHFFFAOYSA-N 1 0 395.341 2.955 20 0 GFADRO C[C@H](NC(=O)[C@@H]1CCC[C@@H]([NH3+])C1)c1cc2c(cc1Br)OCCO2 ZINC000237452465 553078279 /nfs/dbraw/zinc/07/82/79/553078279.db2.gz OZFYXLCZKAZKKS-QJPTWQEYSA-N 1 0 383.286 2.915 20 0 GFADRO C[C@@H](CC(=O)N(C)CC(=O)Nc1ccccc1Br)[C@H]1CCC[NH2+]C1 ZINC000237519686 553078716 /nfs/dbraw/zinc/07/87/16/553078716.db2.gz SKNJPLWUFZQWLS-KBPBESRZSA-N 1 0 396.329 2.872 20 0 GFADRO C[C@@](C[NH3+])(NC(=O)CCC[S@](=O)c1ccc(Br)cc1)C1CC1 ZINC000237621131 553080136 /nfs/dbraw/zinc/08/01/36/553080136.db2.gz BRKOEQFIYUBDMN-AOMKIAJQSA-N 1 0 387.343 2.581 20 0 GFADRO O=C(NC[C@H]1CCC[NH2+]C1)c1ccc(Cl)c(I)c1 ZINC000237731391 553081175 /nfs/dbraw/zinc/08/11/75/553081175.db2.gz FJFFQPXCBKLDRO-VIFPVBQESA-N 1 0 378.641 2.674 20 0 GFADRO Cc1nc2n(n1)C[C@@H]([NH2+]CC1=Cc3cc(Br)ccc3OC1)CC2 ZINC000237710420 553081279 /nfs/dbraw/zinc/08/12/79/553081279.db2.gz GJZAPHGFSAVEIK-HNNXBMFYSA-N 1 0 375.270 2.729 20 0 GFADRO [NH3+]CCCOC1CCN(C(=O)CCc2cc(Br)cs2)CC1 ZINC000237818093 553082339 /nfs/dbraw/zinc/08/23/39/553082339.db2.gz PLJSKWYXSMIWHT-UHFFFAOYSA-N 1 0 375.332 2.800 20 0 GFADRO O=C(CC1CC[NH2+]CC1)N1CCN(C(=O)c2c(Cl)cccc2Cl)CC1 ZINC000237837543 553082852 /nfs/dbraw/zinc/08/28/52/553082852.db2.gz FOZNGXOXAZMFFS-UHFFFAOYSA-N 1 0 384.307 2.668 20 0 GFADRO [NH3+]C1(CNC(=O)c2cc(F)c(F)cc2I)CCCCC1 ZINC000237836538 553082866 /nfs/dbraw/zinc/08/28/66/553082866.db2.gz LGITWLJZLCCTGZ-UHFFFAOYSA-N 1 0 394.203 2.961 20 0 GFADRO [NH3+][C@H]1CC[C@@H](C(=O)NCC2(c3cccc(Br)c3)CCOCC2)C1 ZINC000237866122 553083210 /nfs/dbraw/zinc/08/32/10/553083210.db2.gz ONYWPWXOUIBDBH-CJNGLKHVSA-N 1 0 381.314 2.741 20 0 GFADRO [NH3+][C@H]1CC[C@H](C(=O)NC2CCN(Cc3ccc(Br)cc3)CC2)C1 ZINC000237891555 553083214 /nfs/dbraw/zinc/08/32/14/553083214.db2.gz JPNYNXHIRSKNPS-HOCLYGCPSA-N 1 0 380.330 2.657 20 0 GFADRO Cn1cnnc1Sc1ccc(NC(=O)[C@H]2CC23CC[NH2+]CC3)cc1Cl ZINC000237953047 553083930 /nfs/dbraw/zinc/08/39/30/553083930.db2.gz YDBKBHMVGJFLHU-GFCCVEGCSA-N 1 0 377.901 2.948 20 0 GFADRO [NH3+]C[C@@H]1CCCN(C(=O)CCC[S@@](=O)c2ccc(Br)cc2)C1 ZINC000238058905 553085695 /nfs/dbraw/zinc/08/56/95/553085695.db2.gz YBAAHNMPTCPKCY-WHEQGISXSA-N 1 0 387.343 2.534 20 0 GFADRO [NH3+]CCCCNC(=O)c1cccc(Br)c1I ZINC000238045705 553085777 /nfs/dbraw/zinc/08/57/77/553085777.db2.gz IMRCCXMOJYWFDG-UHFFFAOYSA-N 1 0 397.054 2.522 20 0 GFADRO C[C@H](NC(=O)CN(C)[C@H]1CCCC[C@@H]1S(C)(=O)=O)c1ccc(Cl)cc1 ZINC000245426537 553090112 /nfs/dbraw/zinc/09/01/12/553090112.db2.gz LKCWCRGZBABWAW-JQFCIGGWSA-N 1 0 386.945 2.805 20 0 GFADRO C[C@@H]1C[N@@H+](CCCNC(=O)[C@H]2COc3ccc(Br)cc32)C[C@H](C)O1 ZINC000245586849 553093714 /nfs/dbraw/zinc/09/37/14/553093714.db2.gz FDDHZOGJIRVWKV-ZENOOKHLSA-N 1 0 397.313 2.541 20 0 GFADRO CN1CCO[C@H]([C@@H](NC(=O)NCc2nccs2)c2ccc(Cl)cc2)C1 ZINC000245793248 553097268 /nfs/dbraw/zinc/09/72/68/553097268.db2.gz XRJHCHQNYJIOHV-HOCLYGCPSA-N 1 0 380.901 2.668 20 0 GFADRO COC(=O)c1cc(NC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)ccc1Br ZINC000246039817 553101628 /nfs/dbraw/zinc/10/16/28/553101628.db2.gz NMCKKTOSBTZSFV-AAEUAGOBSA-N 1 0 396.285 2.936 20 0 GFADRO O[C@H](COc1ccc(Br)cc1)CN1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246128389 553102697 /nfs/dbraw/zinc/10/26/97/553102697.db2.gz BGNCHRNWXNPYKX-RDJZCZTQSA-N 1 0 383.330 2.607 20 0 GFADRO C[C@H](CC(=O)NC[C@@H](O)COc1cccc(Cl)c1Cl)[C@H]1CCC[NH2+]C1 ZINC000246279081 553105724 /nfs/dbraw/zinc/10/57/24/553105724.db2.gz MJYSSEVWKXRVKR-HZSPNIEDSA-N 1 0 389.323 2.875 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2cc(F)ccc2Br)[C@@H](C)C1 ZINC000246366570 553107166 /nfs/dbraw/zinc/10/71/66/553107166.db2.gz YVSXASFFOXIUKO-FZMZJTMJSA-N 1 0 393.322 2.939 20 0 GFADRO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CCS(=O)(=O)c1ccc(Cl)cc1 ZINC000246540382 553109451 /nfs/dbraw/zinc/10/94/51/553109451.db2.gz JVWIVKLDKIDAMG-CVEARBPZSA-N 1 0 384.929 2.589 20 0 GFADRO C[C@H]([NH2+][C@H]1CCO[C@@]2(CCSC2)C1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000246594575 553110808 /nfs/dbraw/zinc/11/08/08/553110808.db2.gz ZSDMSOOEPVZLMJ-ZVZYQTTQSA-N 1 0 384.567 2.642 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2cccc(OC(F)(F)F)c2)[C@@H](C)C1 ZINC000246702288 553112281 /nfs/dbraw/zinc/11/22/81/553112281.db2.gz ZLYHUPMUXGUABY-SWLSCSKDSA-N 1 0 380.432 2.936 20 0 GFADRO C[C@H](CNC(=O)N[C@@H](CO)c1cccc(Br)c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000246908488 553114816 /nfs/dbraw/zinc/11/48/16/553114816.db2.gz MOTMBFLNXZRDCI-CPUCHLNUSA-N 1 0 398.345 2.902 20 0 GFADRO C[NH+](C)C[C@@H]1CCN(C[C@@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000247460084 553122707 /nfs/dbraw/zinc/12/27/07/553122707.db2.gz QSQNEQOSYWHZCH-GXTWGEPZSA-N 1 0 391.737 2.726 20 0 GFADRO CC[C@@H]1CN([C@@H](C)C(=O)Nc2cccc(Br)c2)CC[N@@H+]1C[C@H](C)O ZINC000247560167 553124150 /nfs/dbraw/zinc/12/41/50/553124150.db2.gz FXFLREBAURKDFV-GRDNDAEWSA-N 1 0 398.345 2.553 20 0 GFADRO C[C@H](Cn1cc(Br)cn1)[NH2+][C@H]1CCN(Cc2ccccn2)C[C@H]1C ZINC000247959801 553127313 /nfs/dbraw/zinc/12/73/13/553127313.db2.gz GBQNAUFNOSQHMK-RKVPGOIHSA-N 1 0 392.345 2.929 20 0 GFADRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)[C@H]2Cc3cc(Br)ccc3O2)C1 ZINC000248760587 553134364 /nfs/dbraw/zinc/13/43/64/553134364.db2.gz QMGJMKNDOSUKFY-CXAGYDPISA-N 1 0 381.314 2.989 20 0 GFADRO COC(=O)[C@@H]1CC[N@H+](CCC(=O)Nc2ccccc2Br)C[C@H]1C ZINC000248968127 553137500 /nfs/dbraw/zinc/13/75/00/553137500.db2.gz BYMIURWYGOAJGD-CHWSQXEVSA-N 1 0 383.286 2.909 20 0 GFADRO Cc1cc(Br)cc(NC(=O)C(=O)N[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000249118589 553139840 /nfs/dbraw/zinc/13/98/40/553139840.db2.gz GIACZQHAMPCGNM-OCCSQVGLSA-N 1 0 396.329 2.933 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(C)c(Br)c2)[C@@H](C)C1 ZINC000249195809 553140773 /nfs/dbraw/zinc/14/07/73/553140773.db2.gz QCXLWNOVPDVTBX-XJKSGUPXSA-N 1 0 396.329 2.885 20 0 GFADRO NC(=O)CC[C@@H]1CCC[N@@H+]([C@@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000249305431 553141780 /nfs/dbraw/zinc/14/17/80/553141780.db2.gz MXPQUSJNLKKFQB-XJKSGUPXSA-N 1 0 394.313 2.532 20 0 GFADRO C[C@@H](NC(=O)CN1CC[N@@H+](C[C@H](C)O)C[C@@H]1C)c1ccc(Cl)cc1Cl ZINC000249521912 553144366 /nfs/dbraw/zinc/14/43/66/553144366.db2.gz VWESDAMPWLLYTI-MELADBBJSA-N 1 0 388.339 2.558 20 0 GFADRO C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl ZINC000249736286 553145466 /nfs/dbraw/zinc/14/54/66/553145466.db2.gz FIGKGIAYFHHWPQ-XJKSGUPXSA-N 1 0 384.307 2.808 20 0 GFADRO COc1ccc(CNC(=O)N(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)cc1Br ZINC000252652014 553150317 /nfs/dbraw/zinc/15/03/17/553150317.db2.gz WWHLHVWRIXREDA-SWLSCSKDSA-N 1 0 384.318 2.939 20 0 GFADRO C[N@@H+]1CCC[C@H]2CN(S(=O)(=O)c3ccc(CC(F)(F)F)cc3)CC[C@H]21 ZINC000253354028 553150948 /nfs/dbraw/zinc/15/09/48/553150948.db2.gz XUEIGDUQWJFROH-GOEBONIOSA-N 1 0 376.444 2.896 20 0 GFADRO CC[N@H+](C)C[C@H]1CCN([C@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000253350469 553150981 /nfs/dbraw/zinc/15/09/81/553150981.db2.gz SPWJRWMVGUNONQ-PBHICJAKSA-N 1 0 380.330 2.828 20 0 GFADRO Brc1cnc(CN2CC[C@@H]3[NH2+]CC[C@@H]3C2)c(Br)c1 ZINC000261567000 553153297 /nfs/dbraw/zinc/15/32/97/553153297.db2.gz IMKDVEZZTHRLIY-SKDRFNHKSA-N 1 0 375.108 2.790 20 0 GFADRO O=C(c1ccc(Br)cc1Br)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261578679 553153603 /nfs/dbraw/zinc/15/36/03/553153603.db2.gz DHMWHGCHJHBGOY-NXEZZACHSA-N 1 0 388.103 2.893 20 0 GFADRO Cc1cc(C[N@@H+]2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)ccc1Br ZINC000261607072 553153981 /nfs/dbraw/zinc/15/39/81/553153981.db2.gz CWKCNXHNYVTBLH-WMZOPIPTSA-N 1 0 394.357 2.838 20 0 GFADRO O=C(c1cc(-c2ccc(Br)cc2)n[nH]1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000261632296 553154634 /nfs/dbraw/zinc/15/46/34/553154634.db2.gz ABBSRPIMZIUCTE-OKILXGFUSA-N 1 0 389.297 2.911 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCCCN1S(=O)(=O)c1c(Cl)cccc1Br ZINC000261632903 553154651 /nfs/dbraw/zinc/15/46/51/553154651.db2.gz BLEBQTIBFSFKQX-CABZTGNLSA-N 1 0 381.723 2.993 20 0 GFADRO [NH3+][C@@H]1CN(S(=O)(=O)c2ccc(Br)c(F)c2)C[C@H]1c1ccccc1 ZINC000261631950 553154712 /nfs/dbraw/zinc/15/47/12/553154712.db2.gz CXEIXWXRWIOQHR-XJKSGUPXSA-N 1 0 399.285 2.704 20 0 GFADRO COc1ccc(Br)cc1S(=O)(=O)N1C[C@@H]([NH3+])Cc2ccccc21 ZINC000261658489 553155017 /nfs/dbraw/zinc/15/50/17/553155017.db2.gz GAMFZERTWOAKFY-ZDUSSCGKSA-N 1 0 397.294 2.536 20 0 GFADRO C[C@H]1CCN(C(=O)Cc2csc(NC(=O)c3cccs3)n2)[C@@H](C[NH3+])C1 ZINC000261637368 553155214 /nfs/dbraw/zinc/15/52/14/553155214.db2.gz AMXDWVXGPWDJJK-WCQYABFASA-N 1 0 378.523 2.585 20 0 GFADRO CN(Cc1ccccc1Br)C(=O)CN(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261650643 553155285 /nfs/dbraw/zinc/15/52/85/553155285.db2.gz FECZMHOCIZAWTA-XYPWUTKMSA-N 1 0 380.330 2.622 20 0 GFADRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)c3ccc(F)cc3I)C[C@H]21 ZINC000261650845 553155343 /nfs/dbraw/zinc/15/53/43/553155343.db2.gz RKZNSLWONUIJNK-MRCXROJRSA-N 1 0 388.224 2.630 20 0 GFADRO C[C@@H](NC(=O)CC[C@@H]1CC[NH2+]C1)c1cc2c(cc1Br)OCCO2 ZINC000261668784 553155893 /nfs/dbraw/zinc/15/58/93/553155893.db2.gz AKNCYINNFBCXNY-VXGBXAGGSA-N 1 0 383.286 2.787 20 0 GFADRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)[C@@H](c1ccc(Cl)cc1Cl)N1CCOCC1 ZINC000261704726 553156610 /nfs/dbraw/zinc/15/66/10/553156610.db2.gz JMLUHRQGDJJURC-PBFPGSCMSA-N 1 0 386.323 2.562 20 0 GFADRO CN(Cc1nc(C2([NH3+])CCCC2)no1)C(=O)c1ccc(Br)s1 ZINC000261746950 553157761 /nfs/dbraw/zinc/15/77/61/553157761.db2.gz LKVQLKSTHGDBJH-UHFFFAOYSA-N 1 0 385.287 2.894 20 0 GFADRO O=C(CN1CC[NH2+]C[C@@H]1c1ccccc1Cl)Nc1nc2c(s1)CCC2 ZINC000261771408 553158382 /nfs/dbraw/zinc/15/83/82/553158382.db2.gz OTGCWJHHHPTAOW-OAHLLOKOSA-N 1 0 376.913 2.870 20 0 GFADRO [NH3+]C[C@H]1CCC[C@H]1C(=O)NC[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000261763200 553158651 /nfs/dbraw/zinc/15/86/51/553158651.db2.gz NTBJVRFSEPNMNB-JJRVBVJISA-N 1 0 380.330 2.767 20 0 GFADRO O=S(=O)(c1cccc(OC(F)(F)F)c1)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000261788572 553159039 /nfs/dbraw/zinc/15/90/39/553159039.db2.gz YRWUVTALAYFJMO-HNNXBMFYSA-N 1 0 378.416 2.738 20 0 GFADRO C[NH2+][C@H](C)Cc1noc([C@H](c2ccc(Cl)cc2Cl)N2CCOCC2)n1 ZINC000261804178 553159839 /nfs/dbraw/zinc/15/98/39/553159839.db2.gz PITNIRVWZRANCY-BZNIZROVSA-N 1 0 385.295 2.948 20 0 GFADRO C[C@H](NC(=O)CN(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(Br)cc1 ZINC000261822799 553160426 /nfs/dbraw/zinc/16/04/26/553160426.db2.gz WUSXJUYHCQPZIF-QIXHYMPYSA-N 1 0 380.330 2.841 20 0 GFADRO [NH3+][C@H]1CCc2nc(NC(=O)c3cccc(I)c3)sc2C1 ZINC000261857956 553160888 /nfs/dbraw/zinc/16/08/88/553160888.db2.gz XNFSQRLYUICJRK-JTQLQIEISA-N 1 0 399.257 2.816 20 0 GFADRO C[C@H](NC(=O)CN1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1)c1ccc(Br)cc1 ZINC000261864218 553161365 /nfs/dbraw/zinc/16/13/65/553161365.db2.gz KQMOYLCJGMTQCA-CSFVBSKPSA-N 1 0 380.330 2.686 20 0 GFADRO C[C@@H]1CCN(C(=O)[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)[C@H](C[NH3+])C1 ZINC000261864881 553161376 /nfs/dbraw/zinc/16/13/76/553161376.db2.gz RSMWETTYZJDNSY-KWCYVHTRSA-N 1 0 384.307 2.932 20 0 GFADRO [NH3+][C@H](C(=O)NCCOc1c(Cl)cc(Cl)cc1Cl)C1CCOCC1 ZINC000261882296 553161476 /nfs/dbraw/zinc/16/14/76/553161476.db2.gz UQYZMQOPGPTIBL-ZDUSSCGKSA-N 1 0 381.687 2.896 20 0 GFADRO COc1cc(S(=O)(=O)N2CCNC[C@H]2c2ccccc2Cl)ccc1F ZINC000261912993 553162312 /nfs/dbraw/zinc/16/23/12/553162312.db2.gz YJGHYPVHCYYVFD-INIZCTEOSA-N 1 0 384.860 2.823 20 0 GFADRO CN(Cc1cccc(Br)c1)C(=O)[C@]1([NH3+])[C@H]2CCCO[C@H]2C1(C)C ZINC000261895347 553162422 /nfs/dbraw/zinc/16/24/22/553162422.db2.gz OGLYRARTEKHANF-HDMKZQKVSA-N 1 0 381.314 2.940 20 0 GFADRO Cc1ccc(O[C@H](C)C(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)c(Br)c1 ZINC000261893058 553162427 /nfs/dbraw/zinc/16/24/27/553162427.db2.gz VKTUDDXQVRTKDS-KFWWJZLASA-N 1 0 381.314 2.983 20 0 GFADRO [NH3+]C[C@H]1CCCC[C@H]1NS(=O)(=O)c1cccc(Br)c1Cl ZINC000261987345 553163977 /nfs/dbraw/zinc/16/39/77/553163977.db2.gz DJPILJZRTURHFD-MWLCHTKSSA-N 1 0 381.723 2.898 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H]2CN(Cc3ccc(Br)cc3N3CCOCC3)C[C@@H]21 ZINC000262040519 553164597 /nfs/dbraw/zinc/16/45/97/553164597.db2.gz YGXKRAMEKSXBLI-FHLIZLRMSA-N 1 0 394.357 2.845 20 0 GFADRO CN(C(=O)C[C@@H]1COCC[NH2+]1)[C@H]1CCSc2ccc(Br)cc21 ZINC000262034648 553164729 /nfs/dbraw/zinc/16/47/29/553164729.db2.gz AVLFEWZPZHTTMR-OCCSQVGLSA-N 1 0 385.327 2.823 20 0 GFADRO FC(F)Oc1ccc(CN2CC[C@@H](N3CC[NH2+]CC3)C2)cc1Br ZINC000262083987 553165165 /nfs/dbraw/zinc/16/51/65/553165165.db2.gz FSTAVAZADCEPGL-CYBMUJFWSA-N 1 0 390.272 2.530 20 0 GFADRO C[C@@]1(C[NH3+])CCN(C(=O)[C@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)C1 ZINC000262113257 553165752 /nfs/dbraw/zinc/16/57/52/553165752.db2.gz VUPLKYXQCPJELY-QAPCUYQASA-N 1 0 384.307 2.795 20 0 GFADRO FC(F)Oc1c(Br)cccc1CN1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000262151613 553166643 /nfs/dbraw/zinc/16/66/43/553166643.db2.gz RGFXYTUZLTYDQH-ZDUSSCGKSA-N 1 0 390.272 2.530 20 0 GFADRO CC[NH2+][C@H](C)CNC(=O)[C@@H](C)SCc1nc2sc(C)c(C)c2c(=O)[nH]1 ZINC000262368725 553169671 /nfs/dbraw/zinc/16/96/71/553169671.db2.gz LPJMRHAVOWYHNE-BXKDBHETSA-N 1 0 382.555 2.750 20 0 GFADRO Cc1cc(NC(=O)CNC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)ccc1Br ZINC000262545588 553172582 /nfs/dbraw/zinc/17/25/82/553172582.db2.gz VCGFIDUGPNHBGD-MAZHCROVSA-N 1 0 394.313 2.733 20 0 GFADRO Cc1c(C(=O)NCC[C@H]2CC[NH2+]C2)cnn1-c1cccc(Br)c1 ZINC000262605695 553172948 /nfs/dbraw/zinc/17/29/48/553172948.db2.gz ZBFCGUBWOCWFBD-CYBMUJFWSA-N 1 0 377.286 2.673 20 0 GFADRO O=C(c1cnn(-c2cccc(Br)c2)c1)N1CCC2CCC(C1)[NH2+]2 ZINC000262592394 553172955 /nfs/dbraw/zinc/17/29/55/553172955.db2.gz GEUZFYSHYNTYPN-CABCVRRESA-N 1 0 375.270 2.601 20 0 GFADRO Cc1c(C(=O)NCC[C@@H]2CC[NH2+]C2)cnn1-c1cccc(Br)c1 ZINC000262605697 553173092 /nfs/dbraw/zinc/17/30/92/553173092.db2.gz ZBFCGUBWOCWFBD-ZDUSSCGKSA-N 1 0 377.286 2.673 20 0 GFADRO CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)C[NH2+]CC1CC1 ZINC000262632139 553173574 /nfs/dbraw/zinc/17/35/74/553173574.db2.gz NBVQSEXJJZHZSI-UHFFFAOYSA-N 1 0 377.794 2.755 20 0 GFADRO C[C@H](CC(=O)N1CCC(n2cc(Br)cn2)CC1)[C@H]1CCC[NH2+]C1 ZINC000262654399 553173609 /nfs/dbraw/zinc/17/36/09/553173609.db2.gz WNDOGXLEFUCYJO-KGLIPLIRSA-N 1 0 383.334 2.835 20 0 GFADRO C[C@H]1[NH2+]CCN(C(=O)c2ccc(Cl)c(I)c2)[C@@H]1C ZINC000262751949 553175285 /nfs/dbraw/zinc/17/52/85/553175285.db2.gz GVHCERFTFNOQSZ-RKDXNWHRSA-N 1 0 378.641 2.767 20 0 GFADRO Cc1c(C(=O)N2CC[NH2+][C@@H](C)[C@@H]2C)cnn1-c1ccc(Br)cc1 ZINC000262744037 553175295 /nfs/dbraw/zinc/17/52/95/553175295.db2.gz JIMIUFIAHCSRIG-RYUDHWBXSA-N 1 0 377.286 2.766 20 0 GFADRO COc1ccc(S(=O)(=O)N[C@@]2(C[NH3+])CCCC[C@H]2C)c(Br)c1 ZINC000262770057 553175549 /nfs/dbraw/zinc/17/55/49/553175549.db2.gz LXOACMVZJZMKBR-IAQYHMDHSA-N 1 0 391.331 2.644 20 0 GFADRO C[C@@H]1C[NH2+]CC[C@H]1NS(=O)(=O)c1c(Cl)cc(F)cc1Br ZINC000262787469 553175698 /nfs/dbraw/zinc/17/56/98/553175698.db2.gz QSZGPTOZYHOESS-RDDDGLTNSA-N 1 0 385.686 2.518 20 0 GFADRO CCc1c(C(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)cnn1-c1ccc(Br)cc1 ZINC000262907051 553178124 /nfs/dbraw/zinc/17/81/24/553178124.db2.gz YFQSLDIGXFVVHU-BLLLJJGKSA-N 1 0 391.313 2.925 20 0 GFADRO COc1c(Cl)cc(NC(=O)C(=O)NC[C@@H](C)C[NH+]2CCCC2)cc1Cl ZINC000263672994 553190910 /nfs/dbraw/zinc/19/09/10/553190910.db2.gz IUKYSAAITIWTGR-LLVKDONJSA-N 1 0 388.295 2.789 20 0 GFADRO COc1c(Cl)cc(NC(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)cc1Cl ZINC000263663039 553191001 /nfs/dbraw/zinc/19/10/01/553191001.db2.gz GWFKLKSTNSAWRI-UONOGXRCSA-N 1 0 386.279 2.684 20 0 GFADRO C[C@H](CNC(=O)CSc1cc(Cl)ccc1Cl)N1CC[NH+](C)CC1 ZINC000263732877 553192278 /nfs/dbraw/zinc/19/22/78/553192278.db2.gz HFHDEUOEDHIZGC-GFCCVEGCSA-N 1 0 376.353 2.838 20 0 GFADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)Nc3ccccc3I)C[C@H]21 ZINC000367583113 563849250 /nfs/dbraw/zinc/84/92/50/563849250.db2.gz REGHEVZHHZAMAA-BXUZGUMPSA-N 1 0 385.249 2.849 20 0 GFADRO CC[NH+](CC)CCOC1CCN(Cc2c(Br)c(C)nn2C)CC1 ZINC000448343005 563896440 /nfs/dbraw/zinc/89/64/40/563896440.db2.gz IJENBVQZWGOMNI-UHFFFAOYSA-N 1 0 387.366 2.814 20 0 GFADRO [NH3+]CC[C@H](NC(=O)N[C@@H]1CCOc2c(Br)cccc21)C(F)F ZINC000418168298 563900326 /nfs/dbraw/zinc/90/03/26/563900326.db2.gz WPZKWVMWFUCQJO-MNOVXSKESA-N 1 0 378.217 2.554 20 0 GFADRO C[C@H]1CCN(C(=O)NCc2cc(F)c(F)cc2Br)C[C@@H]1C[NH3+] ZINC000418188405 563900628 /nfs/dbraw/zinc/90/06/28/563900628.db2.gz WTPILZFRNUYANP-ONGXEEELSA-N 1 0 376.245 2.854 20 0 GFADRO C[C@H](C[NH+]1CCC(C)CC1)NCc1ncc(I)s1 ZINC000563443255 564191126 /nfs/dbraw/zinc/19/11/26/564191126.db2.gz QZQYAXYRDVVFAK-LLVKDONJSA-N 1 0 379.311 2.958 20 0 GFADRO C[C@H](CO)[N@@H+]1CCCN(C(=O)c2cc(Cl)c(Br)cc2F)CC1 ZINC000451089570 564272976 /nfs/dbraw/zinc/27/29/76/564272976.db2.gz RKFNFSUEGWZTMH-SNVBAGLBSA-N 1 0 393.684 2.770 20 0 GFADRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1S(=O)(=O)c1cc(Br)ccc1F ZINC000510554955 564338572 /nfs/dbraw/zinc/33/85/72/564338572.db2.gz SPCFAWJFAVSBHO-DGCLKSJQSA-N 1 0 391.306 2.836 20 0 GFADRO COc1cc(Br)cc(S(=O)(=O)NCCC[NH+]2CCCCC2)c1 ZINC000544843554 564401491 /nfs/dbraw/zinc/40/14/91/564401491.db2.gz VKQQHQRZZKVRNS-UHFFFAOYSA-N 1 0 391.331 2.612 20 0 GFADRO CC[C@H](CNS(C)(=O)=O)[NH2+][C@@H]1CCCc2ccc(Br)cc21 ZINC000453281305 564451725 /nfs/dbraw/zinc/45/17/25/564451725.db2.gz KSYDOSOEKUUJJJ-UKRRQHHQSA-N 1 0 375.332 2.744 20 0 GFADRO CC[C@H](CNS(C)(=O)=O)[NH2+][C@@H]1CCCc2cc(Br)ccc21 ZINC000453281217 564452038 /nfs/dbraw/zinc/45/20/38/564452038.db2.gz KKWKZGMZIVUVBD-UKRRQHHQSA-N 1 0 375.332 2.744 20 0 GFADRO COc1ccc(NC(=O)NCCC(C)(C)[NH3+])c(I)c1 ZINC000603432767 565906167 /nfs/dbraw/zinc/90/61/67/565906167.db2.gz UAQRDQYMCKLTSB-UHFFFAOYSA-N 1 0 377.226 2.549 20 0 GFADRO C[C@@H](CC(=O)N(C)C)[NH2+][C@H](CO)c1ccc(Br)cc1C(F)(F)F ZINC000280166725 563324954 /nfs/dbraw/zinc/32/49/54/563324954.db2.gz FSGGSLBHQOSRNE-TVQRCGJNSA-N 1 0 397.235 2.958 20 0 GFADRO COC(=O)c1cc(NC(=O)[C@H](C(C)C)[C@H](C)[NH3+])cc(Br)c1F ZINC000423920418 563364086 /nfs/dbraw/zinc/36/40/86/563364086.db2.gz VUUSXOMQZKDEGD-QPUJVOFHSA-N 1 0 375.238 2.933 20 0 GFADRO C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1ccc(F)cc1I ZINC000311830311 563435670 /nfs/dbraw/zinc/43/56/70/563435670.db2.gz GDAIRSOAELIXFL-ZANVPECISA-N 1 0 376.213 2.595 20 0 GFADRO CC(C)[N@H+](C)CC(=O)N[C@@H](C)c1ccc(Br)cc1OCCCO ZINC000428590522 563496616 /nfs/dbraw/zinc/49/66/16/563496616.db2.gz OXAIAIVBPJINMN-ZDUSSCGKSA-N 1 0 387.318 2.728 20 0 GFADRO O=C(N[C@H]1C[C@H](c2ccc(Br)cc2)C1)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000418204460 563213636 /nfs/dbraw/zinc/21/36/36/563213636.db2.gz PPIINLWMDCLWGW-MPTYRVRUSA-N 1 0 378.314 2.946 20 0 GFADRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(I)cc1F ZINC000294707390 563213693 /nfs/dbraw/zinc/21/36/93/563213693.db2.gz ZKIHZCRQOCILCL-JTQLQIEISA-N 1 0 388.224 2.644 20 0 GFADRO CC1(C)Cc2ccc(Br)cc2[C@@H]1NC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000418217326 563214119 /nfs/dbraw/zinc/21/41/19/563214119.db2.gz PAVVVLVAISHGEZ-ZENOOKHLSA-N 1 0 378.314 2.933 20 0 GFADRO C[C@H]([NH3+])c1ccc(CNC(=O)N[C@@H](C)c2ncc(Br)cn2)cc1 ZINC000418223469 563214294 /nfs/dbraw/zinc/21/42/94/563214294.db2.gz YYHSNIYDCRSGGT-QWRGUYRKSA-N 1 0 378.274 2.819 20 0 GFADRO [NH3+][C@H]1CCC[C@H](CNC(=O)NCc2nc3c(cccc3Br)[nH]2)C1 ZINC000418256165 563214725 /nfs/dbraw/zinc/21/47/25/563214725.db2.gz BQYYFNMDDSLRGT-QWRGUYRKSA-N 1 0 380.290 2.642 20 0 GFADRO C[NH+](C)[C@@H]1CCc2ccccc2[C@H]1NS(=O)(=O)Cc1ccc(Cl)nc1 ZINC000369465863 563214808 /nfs/dbraw/zinc/21/48/08/563214808.db2.gz FSOHTINXUFDKHI-SJLPKXTDSA-N 1 0 379.913 2.772 20 0 GFADRO CCCN(C(=O)NCc1nc2c(cccc2Br)[nH]1)C1CC[NH2+]CC1 ZINC000418266115 563215049 /nfs/dbraw/zinc/21/50/49/563215049.db2.gz MMPVOTTZDFVVGE-UHFFFAOYSA-N 1 0 394.317 2.999 20 0 GFADRO C[NH2+]CCCNC(=O)N1CCN(c2ccc(C(F)(F)F)cc2Cl)CC1 ZINC000418279061 563215769 /nfs/dbraw/zinc/21/57/69/563215769.db2.gz NNMXOEFOAAVDIL-UHFFFAOYSA-N 1 0 378.826 2.800 20 0 GFADRO CC(C)(COc1ncc(Cl)cc1Cl)NC(=O)NCCC[NH2+]C1CC1 ZINC000418295859 563215831 /nfs/dbraw/zinc/21/58/31/563215831.db2.gz FNWFVVZUWGAOLY-UHFFFAOYSA-N 1 0 375.300 2.987 20 0 GFADRO COC(=O)c1nc(NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)sc1C ZINC000369533710 563216605 /nfs/dbraw/zinc/21/66/05/563216605.db2.gz VEEKQMXEASAMND-UHFFFAOYSA-N 1 0 377.432 3.455 20 0 GFADRO [NH3+]C[C@H](NC(=O)N1CCC(n2cc(Br)cn2)CC1)C1CCCCC1 ZINC000418382821 563216672 /nfs/dbraw/zinc/21/66/72/563216672.db2.gz NEGPHFGQFLCODR-INIZCTEOSA-N 1 0 398.349 2.900 20 0 GFADRO CN(CC(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1cccs1)C(=O)c1cccs1 ZINC000369567666 563217042 /nfs/dbraw/zinc/21/70/42/563217042.db2.gz IKBSVESZLRGYBG-SUMWQHHRSA-N 1 0 377.535 2.691 20 0 GFADRO CCC[NH2+]CCNC(=O)N(CCOC)Cc1ccc(Br)s1 ZINC000418464058 563217887 /nfs/dbraw/zinc/21/78/87/563217887.db2.gz AESCBPFIESTPSS-UHFFFAOYSA-N 1 0 378.336 2.668 20 0 GFADRO [NH3+]C[C@H](NC(=O)N(Cc1cccc(Br)c1)C1CCOCC1)C1CC1 ZINC000418471665 563218002 /nfs/dbraw/zinc/21/80/02/563218002.db2.gz QQGSESXTPMSLRI-KRWDZBQOSA-N 1 0 396.329 2.877 20 0 GFADRO CC(C)C[C@H](C[NH3+])NC(=O)N1CCO[C@@H](c2cccc(Br)c2)C1 ZINC000418442158 563218106 /nfs/dbraw/zinc/21/81/06/563218106.db2.gz MRBWYABZGHTWDP-HZPDHXFCSA-N 1 0 384.318 2.905 20 0 GFADRO [NH3+][C@@H](CNC(=O)N1CCO[C@@H](c2cc(F)c(Cl)cc2Cl)C1)C1CC1 ZINC000418497232 563218795 /nfs/dbraw/zinc/21/87/95/563218795.db2.gz JTKAQGYLJSQXQG-LSDHHAIUSA-N 1 0 376.259 2.953 20 0 GFADRO C[C@@H](CC[NH3+])NC(=O)N1CCC(C(=O)Nc2cccc(Br)c2)CC1 ZINC000418515563 563219103 /nfs/dbraw/zinc/21/91/03/563219103.db2.gz BPVXNOGGDCWQHQ-LBPRGKRZSA-N 1 0 397.317 2.547 20 0 GFADRO Cc1ccccc1C[NH+]1CCC(NC(=O)c2c(Br)cnn2C)CC1 ZINC000294878288 563220373 /nfs/dbraw/zinc/22/03/73/563220373.db2.gz PYDDWURGDMELLS-UHFFFAOYSA-N 1 0 391.313 2.885 20 0 GFADRO CC[NH2+][C@H](C)CNC(=O)N(CCOC)Cc1sccc1Br ZINC000418596967 563220677 /nfs/dbraw/zinc/22/06/77/563220677.db2.gz ZHWWUVYFAFQRHF-LLVKDONJSA-N 1 0 378.336 2.667 20 0 GFADRO Brc1ccc(CNCc2nnc(C3CC3)[nH]2)c(N2CCOCC2)c1 ZINC000294902635 563220813 /nfs/dbraw/zinc/22/08/13/563220813.db2.gz XJSKVFPYECKART-UHFFFAOYSA-N 1 0 392.301 2.571 20 0 GFADRO COCCN(Cc1cc(Br)cs1)C(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000418586380 563220846 /nfs/dbraw/zinc/22/08/46/563220846.db2.gz ZPSMZDMPJCHFQP-BXUZGUMPSA-N 1 0 390.347 2.667 20 0 GFADRO COCCN(Cc1sccc1Br)C(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000418600862 563220868 /nfs/dbraw/zinc/22/08/68/563220868.db2.gz TZIXSPBVJPPJDP-WCQYABFASA-N 1 0 390.347 2.667 20 0 GFADRO CN(C)C(=O)C1(NCc2ncc(I)s2)CCCCC1 ZINC000294921436 563221367 /nfs/dbraw/zinc/22/13/67/563221367.db2.gz FPHKGSBUZDJAKU-UHFFFAOYSA-N 1 0 393.294 2.628 20 0 GFADRO CN(CCn1cc(Br)cn1)C(=O)N[C@H](CCC[NH3+])c1ccccc1 ZINC000418682236 563222100 /nfs/dbraw/zinc/22/21/00/563222100.db2.gz VYQJWEQRNRIOAC-MRXNPFEDSA-N 1 0 394.317 2.767 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+][C@@H]1CCCSC1 ZINC000294958867 563223816 /nfs/dbraw/zinc/22/38/16/563223816.db2.gz CLNILTOKAGFTCS-SMDDNHRTSA-N 1 0 387.343 2.948 20 0 GFADRO C[C@@H]1CN(C(=O)c2cc(F)cc(Br)c2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000369765415 563223891 /nfs/dbraw/zinc/22/38/91/563223891.db2.gz FXNQMRWMXCYAQN-CXAGYDPISA-N 1 0 398.320 2.686 20 0 GFADRO CN(CCc1cccc(Br)c1)C(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000418741301 563224505 /nfs/dbraw/zinc/22/45/05/563224505.db2.gz AMYNANXEIHBCIB-ZDUSSCGKSA-N 1 0 376.245 2.630 20 0 GFADRO COCCN(Cc1ccc(Br)s1)C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000418801494 563225851 /nfs/dbraw/zinc/22/58/51/563225851.db2.gz XIQCXIUFXJRUMP-VXGBXAGGSA-N 1 0 390.347 2.796 20 0 GFADRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)N[C@@H](CO)c2ccc(Cl)cc2C(F)(F)F)C1 ZINC000418794047 563225873 /nfs/dbraw/zinc/22/58/73/563225873.db2.gz QRKDPUIMBLQQLG-UDZFHETQSA-N 1 0 379.810 2.819 20 0 GFADRO COCCN(Cc1cc(Br)cs1)C(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000418792018 563226067 /nfs/dbraw/zinc/22/60/67/563226067.db2.gz OGQXFLYLGARCKS-AAEUAGOBSA-N 1 0 390.347 2.796 20 0 GFADRO C[C@@H](NC(=O)C(=O)NC[C@H]1[NH2+]CCCC1(C)C)c1ccccc1Br ZINC000418829862 563226369 /nfs/dbraw/zinc/22/63/69/563226369.db2.gz DRWGCTVKGZLASD-IUODEOHRSA-N 1 0 396.329 2.521 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2C[C@H]2c2ccc(Cl)cc2Cl)C1 ZINC000418816390 563226467 /nfs/dbraw/zinc/22/64/67/563226467.db2.gz KZVQTVAEVUJJTI-TWINXVHLSA-N 1 0 384.307 2.551 20 0 GFADRO [NH3+]C[C@H](NC(=O)C(=O)N[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1)C1CCCC1 ZINC000418815649 563226760 /nfs/dbraw/zinc/22/67/60/563226760.db2.gz JARMAUMYARHEDD-MAZHCROVSA-N 1 0 384.307 2.599 20 0 GFADRO C[C@H](NC(=O)C(=O)N1CCC2(C1)CC[NH2+]CC2)c1ccc(Cl)cc1Cl ZINC000418836941 563227189 /nfs/dbraw/zinc/22/71/89/563227189.db2.gz SEHKGPAEAZJJOD-LBPRGKRZSA-N 1 0 384.307 2.773 20 0 GFADRO CC(C)[C@H](CNC(=O)C(=O)NCCCC[NH3+])Cc1ccc(Cl)cc1Cl ZINC000418856833 563227793 /nfs/dbraw/zinc/22/77/93/563227793.db2.gz QLVFPXLMWOUSMV-AWEZNQCLSA-N 1 0 388.339 2.779 20 0 GFADRO C[C@H](NC(=O)C(=O)N[C@@H]1CCCC[C@H]1C[NH3+])c1cc(F)c(Cl)cc1Cl ZINC000418856238 563228018 /nfs/dbraw/zinc/22/80/18/563228018.db2.gz WLYZVSJIVRCVNT-AMJWSMQMSA-N 1 0 390.286 2.943 20 0 GFADRO [NH3+]C1CCC(NC(=O)C(=O)N[C@H]2C[C@H](c3ccc(Cl)c(Cl)c3)C2)CC1 ZINC000418893852 563229186 /nfs/dbraw/zinc/22/91/86/563229186.db2.gz QEWPLQVRNIADQL-WUPBRDTRSA-N 1 0 384.307 2.742 20 0 GFADRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)C(=O)N[C@H]2C[C@H](c3ccc(Cl)c(Cl)c3)C2)C1 ZINC000418889454 563229230 /nfs/dbraw/zinc/22/92/30/563229230.db2.gz HQUJFDLLSQTSDL-FMKGYKFTSA-N 1 0 384.307 2.599 20 0 GFADRO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)C(=O)N[C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000418891110 563229393 /nfs/dbraw/zinc/22/93/93/563229393.db2.gz LFXNMZCCIRPVNE-VSBTWAGUSA-N 1 0 384.307 2.612 20 0 GFADRO CC[NH2+][C@H](C)CNC(=O)C(=O)N[C@H](c1ccc(Br)cc1)C1CCC1 ZINC000418945258 563230897 /nfs/dbraw/zinc/23/08/97/563230897.db2.gz MOEVTIGLBTXHJB-WBMJQRKESA-N 1 0 396.329 2.521 20 0 GFADRO Cc1nccc(C[N@@H+]2CCC[C@@H](C(=O)Nc3ccc(Br)cn3)C2)n1 ZINC000370028140 563231711 /nfs/dbraw/zinc/23/17/11/563231711.db2.gz CYKUAAIAIWCRNY-CYBMUJFWSA-N 1 0 390.285 2.793 20 0 GFADRO O=C(NCCCCn1cc(Br)cn1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000370042311 563231792 /nfs/dbraw/zinc/23/17/92/563231792.db2.gz JPNIXXYLHCGICV-HNNXBMFYSA-N 1 0 398.349 2.553 20 0 GFADRO [NH3+][C@@H]1C[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1cc(Br)ccc1Cl ZINC000370090424 563233045 /nfs/dbraw/zinc/23/30/45/563233045.db2.gz GJSAYMAWEZYHOJ-RTCCRHLQSA-N 1 0 379.707 2.745 20 0 GFADRO CC[C@@H](NC(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1)c1ccc(Cl)s1 ZINC000419043809 563233137 /nfs/dbraw/zinc/23/31/37/563233137.db2.gz RWACKJRCPVMFLX-KGLIPLIRSA-N 1 0 383.945 2.959 20 0 GFADRO C[N@@H+]1CC[C@@H]2CCN(CC(=O)Nc3c(F)cc(F)cc3Br)C[C@H]21 ZINC000370150912 563234585 /nfs/dbraw/zinc/23/45/85/563234585.db2.gz NFLVPXCFIDQPAN-QMTHXVAHSA-N 1 0 388.256 2.692 20 0 GFADRO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N[C@@H]1CCSc2ccc(Cl)cc21 ZINC000419202073 563234675 /nfs/dbraw/zinc/23/46/75/563234675.db2.gz DAOYWSQYQBUNHW-HUUCEWRRSA-N 1 0 383.945 2.825 20 0 GFADRO COCCC[N@@H+]1CCCN(C[C@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000370168556 563235534 /nfs/dbraw/zinc/23/55/34/563235534.db2.gz FOINAGJXCAHWGQ-INIZCTEOSA-N 1 0 391.339 2.777 20 0 GFADRO C[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000419273779 563236231 /nfs/dbraw/zinc/23/62/31/563236231.db2.gz AVBWRXSPFJOTIR-QWHCGFSZSA-N 1 0 386.323 2.547 20 0 GFADRO CCCN(C(=O)C(=O)N[C@H](C)Cc1ccc(Cl)cc1Cl)[C@@H]1CC[NH2+]C1 ZINC000419288840 563236359 /nfs/dbraw/zinc/23/63/59/563236359.db2.gz TZOGGRLIMBOOKO-IUODEOHRSA-N 1 0 386.323 2.641 20 0 GFADRO Cc1cc(Br)cc(C)c1CNC(=O)C(=O)N(C)CC[C@@H]([NH3+])C(C)C ZINC000419305917 563236380 /nfs/dbraw/zinc/23/63/80/563236380.db2.gz XSWMMODBVVRBIZ-MRXNPFEDSA-N 1 0 398.345 2.514 20 0 GFADRO Cc1nocc1C[NH+]1CCC(C(=O)Nc2ccc(Br)cn2)CC1 ZINC000295226886 563236881 /nfs/dbraw/zinc/23/68/81/563236881.db2.gz CIDVPQIJQAVZJJ-UHFFFAOYSA-N 1 0 379.258 2.991 20 0 GFADRO C[C@@H]1CN(Cc2nnc(-c3c(Cl)cccc3Cl)o2)[C@@H](C)C[N@@H+]1CCO ZINC000419328344 563237147 /nfs/dbraw/zinc/23/71/47/563237147.db2.gz OOQOFLOGCFLNMA-NEPJUHHUSA-N 1 0 385.295 2.930 20 0 GFADRO Cc1nocc1C[N@@H+]1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000295262407 563239044 /nfs/dbraw/zinc/23/90/44/563239044.db2.gz HAFPNLKBFZSLBC-GFCCVEGCSA-N 1 0 379.258 2.991 20 0 GFADRO COCCCC[N@H+](C)[C@@H](C)C(=O)Nc1ccc(I)cc1 ZINC000419391073 563239258 /nfs/dbraw/zinc/23/92/58/563239258.db2.gz QQMPXXKAJRFARE-LBPRGKRZSA-N 1 0 390.265 2.977 20 0 GFADRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)NCC(C)(C)c1ccc(Cl)c(Cl)c1 ZINC000419363684 563239388 /nfs/dbraw/zinc/23/93/88/563239388.db2.gz QWGIYBMLOABANO-XHDPSFHLSA-N 1 0 386.323 2.501 20 0 GFADRO O=C1CC[C@H]([NH2+]CC2=Cc3cc(Br)ccc3OC2)[C@H](C2CC2)N1 ZINC000370281322 563239659 /nfs/dbraw/zinc/23/96/59/563239659.db2.gz ZFQOEUQEJYDIOH-YJBOKZPZSA-N 1 0 377.282 2.872 20 0 GFADRO C[C@H](CNC(=O)C(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1)c1c(Cl)cccc1Cl ZINC000419517164 563241042 /nfs/dbraw/zinc/24/10/42/563241042.db2.gz MDFLVBNRQHBJSK-UPJWGTAASA-N 1 0 386.323 2.656 20 0 GFADRO O=C([C@H](O)c1ccc(Cl)c(Cl)c1)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000295308251 563241305 /nfs/dbraw/zinc/24/13/05/563241305.db2.gz OQQKPMGEBXCNLG-CXAGYDPISA-N 1 0 387.307 2.598 20 0 GFADRO CCOC(=O)c1csc(CC[NH2+]C2CCN(Cc3cscn3)CC2)n1 ZINC000370390348 563241566 /nfs/dbraw/zinc/24/15/66/563241566.db2.gz MOIZFWOBJSKUNZ-UHFFFAOYSA-N 1 0 380.539 2.573 20 0 GFADRO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)NC[C@H](C)c2c(Cl)cccc2Cl)C1 ZINC000419521979 563241703 /nfs/dbraw/zinc/24/17/03/563241703.db2.gz SUFOANGGCSIMTE-STQMWFEESA-N 1 0 386.323 2.671 20 0 GFADRO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N[C@@H](C)Cc1c(Cl)cccc1Cl ZINC000419567310 563242740 /nfs/dbraw/zinc/24/27/40/563242740.db2.gz JNTQBBZTYUXWAE-BLLLJJGKSA-N 1 0 388.339 2.872 20 0 GFADRO CCCN(C(=O)C(=O)N[C@@H](C)Cc1c(Cl)cccc1Cl)[C@@H]1CC[NH2+]C1 ZINC000419595322 563243046 /nfs/dbraw/zinc/24/30/46/563243046.db2.gz OVIHDPQXIPAEDM-QWHCGFSZSA-N 1 0 386.323 2.641 20 0 GFADRO C[C@@H](C[NH3+])CNC(=O)C(=O)N[C@@H](C)c1ccc(-c2ccc(Cl)cc2)s1 ZINC000419610212 563243437 /nfs/dbraw/zinc/24/34/37/563243437.db2.gz FSKYKFLBOVRJDX-RYUDHWBXSA-N 1 0 379.913 2.957 20 0 GFADRO O=C(NCc1cc(Cl)sc1Cl)C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000419635312 563244019 /nfs/dbraw/zinc/24/40/19/563244019.db2.gz RBWSUGSBJWYWNV-GFCCVEGCSA-N 1 0 390.336 2.662 20 0 GFADRO O=C(CCCc1ccc(Br)s1)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000295412704 563246073 /nfs/dbraw/zinc/24/60/73/563246073.db2.gz JMSOYOADAYCRST-CYBMUJFWSA-N 1 0 389.359 2.796 20 0 GFADRO CC(C)(CNC(=O)C(=O)NC[C@H]1CCC[NH2+]C1)c1c(Cl)cccc1Cl ZINC000419694756 563246141 /nfs/dbraw/zinc/24/61/41/563246141.db2.gz LHMIFZAKIGGIFT-LBPRGKRZSA-N 1 0 386.323 2.503 20 0 GFADRO O=C(N[C@H]1CCC[N@@H+](CCCO)C1)c1cc(F)c(Br)cc1Cl ZINC000295403845 563246214 /nfs/dbraw/zinc/24/62/14/563246214.db2.gz IVSQJACXQYRREZ-JTQLQIEISA-N 1 0 393.684 2.818 20 0 GFADRO COC1(C[NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)CCCCC1 ZINC000419692946 563246302 /nfs/dbraw/zinc/24/63/02/563246302.db2.gz YWZPQPZFALHZLU-UHFFFAOYSA-N 1 0 391.331 2.535 20 0 GFADRO Cc1c2cc(Cl)ccc2sc1CNC(=O)C(=O)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000419698857 563246904 /nfs/dbraw/zinc/24/69/04/563246904.db2.gz ANCVBZABSIBNPH-MFKMUULPSA-N 1 0 379.913 2.736 20 0 GFADRO Cc1c2cc(Cl)ccc2sc1CNC(=O)C(=O)N[C@H]1CCC[NH2+][C@H]1C ZINC000419721059 563247962 /nfs/dbraw/zinc/24/79/62/563247962.db2.gz YSMBXTZOZHBPBX-FZMZJTMJSA-N 1 0 379.913 2.736 20 0 GFADRO COc1cc(I)ccc1NCc1cnc(N(C)C)n1C ZINC000419715382 563248120 /nfs/dbraw/zinc/24/81/20/563248120.db2.gz VJDJCWIATFTMAX-UHFFFAOYSA-N 1 0 386.237 2.711 20 0 GFADRO CC[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)N1CC[C@H]([C@H](C)[NH3+])C1 ZINC000419745966 563249098 /nfs/dbraw/zinc/24/90/98/563249098.db2.gz BIIPNVMOFUBNFG-CORIIIEPSA-N 1 0 386.323 2.626 20 0 GFADRO CC[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000419771031 563250026 /nfs/dbraw/zinc/25/00/26/563250026.db2.gz LVZGKTRRETUXQD-WFASDCNBSA-N 1 0 386.323 2.547 20 0 GFADRO CC[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000419760681 563250221 /nfs/dbraw/zinc/25/02/21/563250221.db2.gz ZZEPOULVCBOWQO-DJSGYFEHSA-N 1 0 386.323 2.545 20 0 GFADRO CC(C)c1nn(-c2ccc(Br)cc2)cc1C[NH2+][C@H](CO)[C@@H](C)O ZINC000419795625 563250664 /nfs/dbraw/zinc/25/06/64/563250664.db2.gz KTBBSLTZKIMYOT-MLGOLLRUSA-N 1 0 382.302 2.590 20 0 GFADRO O=C(N[C@H]1CCC[N@@H+](CCCO)C1)c1ccc(Br)cc1Cl ZINC000295502463 563250674 /nfs/dbraw/zinc/25/06/74/563250674.db2.gz PFOSFZUZRWWQAB-LBPRGKRZSA-N 1 0 375.694 2.679 20 0 GFADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C[C@H](O)c1ccc(Br)cc1 ZINC000278381717 563252796 /nfs/dbraw/zinc/25/27/96/563252796.db2.gz CXGBCNWMPGDKMF-KSSFIOAISA-N 1 0 383.330 2.668 20 0 GFADRO Cn1ncc2c1CCC[C@@H]2[NH2+][C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000278401602 563253589 /nfs/dbraw/zinc/25/35/89/563253589.db2.gz GRDBAKGUZMDOMB-HOTGVXAUSA-N 1 0 389.297 2.955 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]C[C@@H]1CCOC[C@H]1C ZINC000295580357 563254320 /nfs/dbraw/zinc/25/43/20/563254320.db2.gz BLGVERDUSMRXNH-RDBSUJKOSA-N 1 0 399.329 2.725 20 0 GFADRO COCC[C@@]1(C(=O)Nc2nnc(Cc3cccc(Cl)c3)s2)CC[NH2+]C1 ZINC000370764062 563255027 /nfs/dbraw/zinc/25/50/27/563255027.db2.gz UUZOJCVKCWNXIJ-KRWDZBQOSA-N 1 0 380.901 2.737 20 0 GFADRO C[NH+](C)CC[C@](C)(O)CNC(=O)c1ccn(-c2ccc(Cl)cc2Cl)n1 ZINC000420008622 563256119 /nfs/dbraw/zinc/25/61/19/563256119.db2.gz DJACQZBUBYREHV-KRWDZBQOSA-N 1 0 385.295 2.612 20 0 GFADRO Cc1ccc([C@H](C[NH2+]Cc2c(Br)cnn2C)N2CCOCC2)cc1 ZINC000278447995 563256532 /nfs/dbraw/zinc/25/65/32/563256532.db2.gz VSWYNYHDHYYPQS-KRWDZBQOSA-N 1 0 393.329 2.654 20 0 GFADRO CN(C(=O)c1cc(F)cc(Br)c1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000370822364 563256634 /nfs/dbraw/zinc/25/66/34/563256634.db2.gz YVYYKBLYGNOCRE-KRWDZBQOSA-N 1 0 398.320 2.829 20 0 GFADRO CN(C(=O)c1ccc(F)cc1Br)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000370832865 563257650 /nfs/dbraw/zinc/25/76/50/563257650.db2.gz ZNAZIVKPBOPCOT-HNNXBMFYSA-N 1 0 398.320 2.829 20 0 GFADRO NC(=O)N1CCC([NH2+]Cc2ccc(Cl)cc2I)CC1 ZINC000278471469 563257888 /nfs/dbraw/zinc/25/78/88/563257888.db2.gz NUDNCRUZKBBOIX-UHFFFAOYSA-N 1 0 393.656 2.577 20 0 GFADRO CCc1nc(CN2CCCN(C(=O)Cc3c(C)noc3Cl)CC2)cs1 ZINC000370866183 563258333 /nfs/dbraw/zinc/25/83/33/563258333.db2.gz CMBLUYITPVBJPD-UHFFFAOYSA-N 1 0 382.917 2.932 20 0 GFADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)c1ccc(Br)c(F)c1 ZINC000278529531 563260464 /nfs/dbraw/zinc/26/04/64/563260464.db2.gz RNPLBAMRNVZIMI-GFCCVEGCSA-N 1 0 385.277 2.914 20 0 GFADRO Cc1ccc(Br)cc1-c1nnc(N2CCCO[C@H](C[NH3+])C2)s1 ZINC000420289192 563261832 /nfs/dbraw/zinc/26/18/32/563261832.db2.gz UBKCLJZMKISUGO-GFCCVEGCSA-N 1 0 383.315 2.830 20 0 GFADRO CN1C(=O)N[C@]2(CCC[C@@H]2C[NH2+][C@@H]2CCc3c2cccc3Br)C1=O ZINC000370987742 563262024 /nfs/dbraw/zinc/26/20/24/563262024.db2.gz CXOVIWBFDJIAOK-MZKGEVEHSA-N 1 0 392.297 2.747 20 0 GFADRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)Nc1ccc(Br)cn1 ZINC000278571256 563261976 /nfs/dbraw/zinc/26/19/76/563261976.db2.gz RTIMJLSKEZSJNN-ZDUSSCGKSA-N 1 0 397.317 2.553 20 0 GFADRO COc1cc(Br)c(CN2CC[N@@H+](C3CCOCC3)C[C@H]2C)cc1O ZINC000278567130 563261997 /nfs/dbraw/zinc/26/19/97/563261997.db2.gz FZRRGUJVZDHZDA-CYBMUJFWSA-N 1 0 399.329 2.848 20 0 GFADRO NC(=O)[C@@H](c1cccc(Br)c1)N1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000420390421 563263005 /nfs/dbraw/zinc/26/30/05/563263005.db2.gz NFWUGJPOBPZXLX-GVDBMIGSSA-N 1 0 392.272 2.541 20 0 GFADRO O=S(=O)(c1ccc(CC(F)(F)F)cc1)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420459673 563264331 /nfs/dbraw/zinc/26/43/31/563264331.db2.gz KLOOOZSQSYEXIR-GDBMZVCRSA-N 1 0 376.444 2.944 20 0 GFADRO [NH3+]CC[C@@H](NS(=O)(=O)c1ccc2cc(Br)ccc2c1)C(F)F ZINC000420466360 563264394 /nfs/dbraw/zinc/26/43/94/563264394.db2.gz RFZGLSPRPIOVOC-CYBMUJFWSA-N 1 0 393.253 2.863 20 0 GFADRO Cc1c(Br)cccc1S(=O)(=O)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420464402 563264567 /nfs/dbraw/zinc/26/45/67/563264567.db2.gz OZOJPTAHMCTFPU-ZFWWWQNUSA-N 1 0 387.343 2.910 20 0 GFADRO COCC1(O)CCN(C(=O)C2CC[NH+](Cc3ccc(Cl)s3)CC2)CC1 ZINC000371197926 563268264 /nfs/dbraw/zinc/26/82/64/563268264.db2.gz ZCJUPGZAYCKKOE-UHFFFAOYSA-N 1 0 386.945 2.613 20 0 GFADRO CCS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000371244258 563269754 /nfs/dbraw/zinc/26/97/54/563269754.db2.gz MYZGIPRRMVOTMZ-SUMWQHHRSA-N 1 0 384.929 2.738 20 0 GFADRO COCCO[C@@H]1C[C@H](CO)C[N@H+](C[C@H](C)c2cccc(Br)c2)C1 ZINC000278763305 563269893 /nfs/dbraw/zinc/26/98/93/563269893.db2.gz UAWHGLOJDZFWFE-RLFYNMQTSA-N 1 0 386.330 2.898 20 0 GFADRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1ccc(I)cc1F ZINC000296026268 563271211 /nfs/dbraw/zinc/27/12/11/563271211.db2.gz ZMFBQVWWPXOIMK-YGRLFVJLSA-N 1 0 390.240 2.843 20 0 GFADRO C[NH+]1CCC([C@@H]2CCN(C(=O)C(=O)Nc3cccc(Br)c3)C2)CC1 ZINC000371318355 563272342 /nfs/dbraw/zinc/27/23/42/563272342.db2.gz ISGBFLGCIXSRRN-CQSZACIVSA-N 1 0 394.313 2.578 20 0 GFADRO Brc1cnn(Cc2cnc(N3CC[C@H]([NH+]4CC=CC4)C3)s2)c1 ZINC000278856967 563273863 /nfs/dbraw/zinc/27/38/63/563273863.db2.gz XVOPGBGLQVTECS-ZDUSSCGKSA-N 1 0 380.315 2.601 20 0 GFADRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1S(=O)(=O)c1cc(F)ccc1OC(F)F ZINC000420704066 563276703 /nfs/dbraw/zinc/27/67/03/563276703.db2.gz HOTQOCSOEGLVED-DGCLKSJQSA-N 1 0 378.416 2.674 20 0 GFADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)c1c(F)cccc1Br ZINC000278959224 563277725 /nfs/dbraw/zinc/27/77/25/563277725.db2.gz ZWUMQYMFJGLGMF-LBPRGKRZSA-N 1 0 385.277 2.914 20 0 GFADRO O=S1(=O)CC[C@@](O)(CN[C@@H](c2ccc(F)cc2)c2ccccc2Cl)C1 ZINC000296239335 563280516 /nfs/dbraw/zinc/28/05/16/563280516.db2.gz CLTSVFOLGIJSOU-ZWKOTPCHSA-N 1 0 383.872 2.708 20 0 GFADRO COc1ccc(Br)cc1CC(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000279124456 563285110 /nfs/dbraw/zinc/28/51/10/563285110.db2.gz WEHZBBNVEKOTEI-UHFFFAOYSA-N 1 0 381.314 2.991 20 0 GFADRO C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+]1C[C@H](C)C[C@H](CO)C1 ZINC000420931416 563291221 /nfs/dbraw/zinc/29/12/21/563291221.db2.gz DHOLGJTVHSYIHQ-FMKPAKJESA-N 1 0 383.330 2.746 20 0 GFADRO C[N@H+](CCn1cc(Br)cn1)Cc1ccc(CN2CCOCC2)cc1 ZINC000420967936 563291940 /nfs/dbraw/zinc/29/19/40/563291940.db2.gz UXZIGMQOTFCONF-UHFFFAOYSA-N 1 0 393.329 2.610 20 0 GFADRO O=C(CN1CCc2c1cccc2Br)NC1CC[NH+](C2CC2)CC1 ZINC000420972056 563292456 /nfs/dbraw/zinc/29/24/56/563292456.db2.gz JLNRBCRKINOOHM-UHFFFAOYSA-N 1 0 378.314 2.555 20 0 GFADRO O=C(Cc1cc(Br)ccc1F)NC[C@H]1CCC[C@H]1[NH+]1CCOCC1 ZINC000372111684 563296356 /nfs/dbraw/zinc/29/63/56/563296356.db2.gz WGRRPWNDGJDRSR-CXAGYDPISA-N 1 0 399.304 2.748 20 0 GFADRO O=C(CCOc1ccccc1Br)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000372111400 563296686 /nfs/dbraw/zinc/29/66/86/563296686.db2.gz RQAMRHATNWJCIG-HNNXBMFYSA-N 1 0 397.313 2.588 20 0 GFADRO Cn1nccc1[C@H]1[C@H]([NH2+]Cc2cccc(Br)c2F)CCC(=O)N1C ZINC000296700629 563297811 /nfs/dbraw/zinc/29/78/11/563297811.db2.gz IESYLYCBSVLYRT-CXAGYDPISA-N 1 0 395.276 2.773 20 0 GFADRO C[NH+](C)CCOc1cc(CNC(=O)Nc2ccnc(Br)c2)ccn1 ZINC000296729216 563299122 /nfs/dbraw/zinc/29/91/22/563299122.db2.gz BPJYFHCRYULAJN-UHFFFAOYSA-N 1 0 394.273 2.501 20 0 GFADRO CN(Cc1cc(Br)cs1)C(=O)Nc1ccnn1CC[NH+](C)C ZINC000296777446 563301147 /nfs/dbraw/zinc/30/11/47/563301147.db2.gz FBZOOWXEKVRLKO-UHFFFAOYSA-N 1 0 386.319 2.933 20 0 GFADRO Cc1ccnc(-c2n[nH]c([C@H](C)[NH2+][C@@H](C)Cn3cc(Br)cn3)n2)c1 ZINC000279617688 563303273 /nfs/dbraw/zinc/30/32/73/563303273.db2.gz YAJSVJZRAYWSMW-RYUDHWBXSA-N 1 0 390.289 2.873 20 0 GFADRO CCCOc1c(Br)cc(C(=O)NCC2CC[NH2+]CC2)cc1OC ZINC000296837329 563304313 /nfs/dbraw/zinc/30/43/13/563304313.db2.gz BNLOXFGTKLNQTI-UHFFFAOYSA-N 1 0 385.302 2.976 20 0 GFADRO C[NH+](C)CCn1c2cc(NCc3ccc(Br)cn3)ccc2oc1=O ZINC000421345179 563307903 /nfs/dbraw/zinc/30/79/03/563307903.db2.gz QUXMEIZVNBVACD-UHFFFAOYSA-N 1 0 391.269 2.926 20 0 GFADRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)Nc1nc2cc(Br)ccn2n1 ZINC000296917107 563308334 /nfs/dbraw/zinc/30/83/34/563308334.db2.gz BHFNGNWDTZDJFB-CYBMUJFWSA-N 1 0 395.305 2.830 20 0 GFADRO CS[C@@H]1CN(C(=O)N[C@@H](c2nc(C)cs2)C(F)(F)F)C[C@H]1[NH+](C)C ZINC000296928635 563308992 /nfs/dbraw/zinc/30/89/92/563308992.db2.gz ISLBXCJEFTZERF-MXWKQRLJSA-N 1 0 382.477 2.742 20 0 GFADRO CN1CCC[C@@]2(CC[N@H+](C[C@@H](O)c3ccc(F)c(Br)c3)C2)C1=O ZINC000372549340 563310001 /nfs/dbraw/zinc/31/00/01/563310001.db2.gz YXFYXGDBGZDKTE-WBVHZDCISA-N 1 0 385.277 2.566 20 0 GFADRO CCS(=O)(=O)c1ccc(CNC(=O)NCCCCC[NH+]2CCCC2)s1 ZINC000297021253 563313175 /nfs/dbraw/zinc/31/31/75/563313175.db2.gz TYRACBCXJWDHRR-UHFFFAOYSA-N 1 0 387.571 2.607 20 0 GFADRO CN(C)S(=O)(=O)c1ccc(OCC[N@@H+]2CCC[C@@H](C(F)(F)F)C2)cc1 ZINC000279874264 563313836 /nfs/dbraw/zinc/31/38/36/563313836.db2.gz DWGPLQQZUICFOE-CYBMUJFWSA-N 1 0 380.432 2.590 20 0 GFADRO Cc1ncc(C[N@@H+]2CC[C@H](NC(=O)c3cn4ccnc4s3)[C@@H](C)C2)s1 ZINC000372700823 563314547 /nfs/dbraw/zinc/31/45/47/563314547.db2.gz FZDDJYGSAOFANQ-FZMZJTMJSA-N 1 0 375.523 2.801 20 0 GFADRO Cc1ncc(C[N@@H+]2CC[C@H](NC(=O)c3cn4ccnc4s3)[C@H](C)C2)s1 ZINC000372700827 563314678 /nfs/dbraw/zinc/31/46/78/563314678.db2.gz FZDDJYGSAOFANQ-RISCZKNCSA-N 1 0 375.523 2.801 20 0 GFADRO CN(Cc1cc(Br)cs1)C(=O)C[N@@H+]1CCC[C@](C)(O)CC1 ZINC000279926300 563315153 /nfs/dbraw/zinc/31/51/53/563315153.db2.gz FRBCLMNAOXCPEF-HNNXBMFYSA-N 1 0 375.332 2.706 20 0 GFADRO C[C@H](CO)[N@@H+]1CCCN(C(=O)CCCc2ccccc2Br)CC1 ZINC000372733516 563315315 /nfs/dbraw/zinc/31/53/15/563315315.db2.gz YHZMGXQQMMULCN-OAHLLOKOSA-N 1 0 383.330 2.687 20 0 GFADRO C[C@@H](CO)[N@@H+]1CCCN(C(=O)C(C)(C)c2cccc(Br)c2)CC1 ZINC000372733319 563315346 /nfs/dbraw/zinc/31/53/46/563315346.db2.gz WTNJONXTHRQHPC-AWEZNQCLSA-N 1 0 383.330 2.642 20 0 GFADRO C[NH+]1CCC(NC(=O)Nc2ccn(-c3ccc(Br)cc3)n2)CC1 ZINC000297134882 563316847 /nfs/dbraw/zinc/31/68/47/563316847.db2.gz YVVCBIMMNFQSHM-UHFFFAOYSA-N 1 0 378.274 2.851 20 0 GFADRO COCCOC[C@H](O)C[N@@H+]1CCC[C@H]1c1cc(Br)ccc1OC ZINC000297149601 563317414 /nfs/dbraw/zinc/31/74/14/563317414.db2.gz OGAGYFIIPHWXJX-ZBFHGGJFSA-N 1 0 388.302 2.619 20 0 GFADRO Cc1c(C(=O)N(C)C[C@@H]2CCC[N@@H+]2C)nnn1-c1cccc(Br)c1 ZINC000421703713 563319442 /nfs/dbraw/zinc/31/94/42/563319442.db2.gz MVLWJOUQQBTZTI-HNNXBMFYSA-N 1 0 392.301 2.504 20 0 GFADRO CCS(=O)(=O)c1ccc(CNC(=O)Nc2cccc(C[NH+](C)C)c2)s1 ZINC000280037469 563319903 /nfs/dbraw/zinc/31/99/03/563319903.db2.gz NSZOMTGHIHALCL-UHFFFAOYSA-N 1 0 381.523 2.925 20 0 GFADRO C[C@@H]1CCN(C(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)CC[S@]1=O ZINC000297232890 563320922 /nfs/dbraw/zinc/32/09/22/563320922.db2.gz NIHJMAPQXZNKJU-WHEFHEQHSA-N 1 0 383.583 2.513 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)C(=O)N1CCC[C@@H]([NH+](C)C)CC1 ZINC000372942196 563323445 /nfs/dbraw/zinc/32/34/45/563323445.db2.gz KUCCYBVHKOPHQP-CQSZACIVSA-N 1 0 382.302 2.639 20 0 GFADRO CC[N@@H+]1CCCN(C(=O)C[C@H](NC(C)=O)c2ccc(Br)cc2)CC1 ZINC000372945949 563323534 /nfs/dbraw/zinc/32/35/34/563323534.db2.gz IKWJUENQIYLCFK-KRWDZBQOSA-N 1 0 396.329 2.571 20 0 GFADRO Cc1c(C(=O)N2CCC[C@@H]([NH3+])[C@H]2C)cnn1-c1ccc(Br)cc1 ZINC000297365171 563325006 /nfs/dbraw/zinc/32/50/06/563325006.db2.gz LAUBACZPTWEUCB-MLGOLLRUSA-N 1 0 377.286 2.895 20 0 GFADRO Cn1nc(Br)cc1C(=O)NC1CC[NH+](Cc2ccsc2)CC1 ZINC000372988733 563325144 /nfs/dbraw/zinc/32/51/44/563325144.db2.gz DGIKUGYNQJFXEZ-UHFFFAOYSA-N 1 0 383.315 2.639 20 0 GFADRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)Nc1nc2cc(Br)ccn2n1 ZINC000297379756 563325541 /nfs/dbraw/zinc/32/55/41/563325541.db2.gz VOCWAFIOEOCMFQ-WCQYABFASA-N 1 0 393.289 2.582 20 0 GFADRO CCOc1c(Br)cc(C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)cc1OC ZINC000373053384 563327134 /nfs/dbraw/zinc/32/71/34/563327134.db2.gz FRASGCBKYFXPIG-SMDDNHRTSA-N 1 0 383.286 2.680 20 0 GFADRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)[C@@H]1CCN(c2cc(Cl)ccc2Cl)C1=O ZINC000422018683 563328671 /nfs/dbraw/zinc/32/86/71/563328671.db2.gz JIMGPEPGDZDOEV-KGLIPLIRSA-N 1 0 384.307 2.899 20 0 GFADRO C[NH+](C)CCn1nccc1NC(=O)NCCc1ccccc1Br ZINC000297558913 563329149 /nfs/dbraw/zinc/32/91/49/563329149.db2.gz XKDBYFLUZWRXFR-UHFFFAOYSA-N 1 0 380.290 2.571 20 0 GFADRO C[C@@H](C(=O)Nc1ccc(Br)cc1)[NH+]1CCC2(CCN(C)C2=O)CC1 ZINC000373148538 563329768 /nfs/dbraw/zinc/32/97/68/563329768.db2.gz XGIUYZLHVHFECI-ZDUSSCGKSA-N 1 0 394.313 2.720 20 0 GFADRO CC(C)[C@H]1OCCC[C@@H]1C[NH2+]C1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000373141278 563329807 /nfs/dbraw/zinc/32/98/07/563329807.db2.gz PHUNWFWETJSNKY-CRAIPNDOSA-N 1 0 386.583 2.942 20 0 GFADRO Cc1cc(Br)cn2cc(CCNC(=O)[C@@H]3CCC[N@@H+]3C3CC3)nc12 ZINC000280294458 563330890 /nfs/dbraw/zinc/33/08/90/563330890.db2.gz QGNJDLGMZMDHMB-INIZCTEOSA-N 1 0 391.313 2.691 20 0 GFADRO CC(C)[C@@](C)([NH2+]Cc1ccnc(-c2ccc(Br)cc2)n1)C(N)=O ZINC000297654812 563332226 /nfs/dbraw/zinc/33/22/26/563332226.db2.gz NMGOAXXQJINQTF-QGZVFWFLSA-N 1 0 377.286 2.896 20 0 GFADRO O=C(C[NH2+]Cc1ccc(Br)c(Br)c1)NCC(F)F ZINC000280348377 563332635 /nfs/dbraw/zinc/33/26/35/563332635.db2.gz SAPHLLGAPZAZBU-UHFFFAOYSA-N 1 0 386.034 2.683 20 0 GFADRO OC[C@H](C[NH2+]Cc1nc(-c2ccc(Br)cc2)c[nH]1)[C@@H]1CCOC1 ZINC000280377191 563334518 /nfs/dbraw/zinc/33/45/18/563334518.db2.gz VHLHHDJZRMLCFG-KGLIPLIRSA-N 1 0 380.286 2.574 20 0 GFADRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)N[C@H]1CCSc2ccc(Cl)cc21 ZINC000422281722 563336288 /nfs/dbraw/zinc/33/62/88/563336288.db2.gz YELNPUYXWHTOPR-ZFWWWQNUSA-N 1 0 381.929 2.546 20 0 GFADRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)C3(c4ccc(Br)cc4)CCOCC3)C[C@H]12 ZINC000373398202 563336837 /nfs/dbraw/zinc/33/68/37/563336837.db2.gz IMCPNUCLGFWVDD-XOKHGSTOSA-N 1 0 393.325 2.693 20 0 GFADRO CCN(C)CC[NH2+]C1CCN(C(=O)c2ccc(Br)cc2C)CC1 ZINC000373396167 563336933 /nfs/dbraw/zinc/33/69/33/563336933.db2.gz XSGVDHBHEIFYTL-UHFFFAOYSA-N 1 0 382.346 2.903 20 0 GFADRO CS[C@H](CNC(=O)C(=O)N(CC[NH+](C)C)Cc1ccsc1)C(C)(C)C ZINC000422405414 563338902 /nfs/dbraw/zinc/33/89/02/563338902.db2.gz HIQYZBQYDSLZKC-OAHLLOKOSA-N 1 0 385.599 2.532 20 0 GFADRO C[C@H]1C[C@@H](C(=O)N2CCC[C@H]2C(=O)Nc2ccc(Br)cc2)CC[NH2+]1 ZINC000373510056 563340854 /nfs/dbraw/zinc/34/08/54/563340854.db2.gz QZFMMIPMSCZREH-XEZPLFJOSA-N 1 0 394.313 2.767 20 0 GFADRO CCOc1cc(C[NH2+]CC2(S(C)(=O)=O)CCC2)cc(Br)c1O ZINC000298018963 563342201 /nfs/dbraw/zinc/34/22/01/563342201.db2.gz DJQMRXRQGUMFEH-UHFFFAOYSA-N 1 0 392.315 2.610 20 0 GFADRO C[C@@H]1C[C@H](C)N(S(=O)(=O)c2cc(F)ccc2Br)C[C@@H]1C[NH3+] ZINC000422556358 563343349 /nfs/dbraw/zinc/34/33/49/563343349.db2.gz SSXZRQMMZPMTFR-VWYCJHECSA-N 1 0 379.295 2.582 20 0 GFADRO C[C@@H]1CC[NH2+]C[C@H]1NCC(C)(C)S(=O)(=O)c1ccc(Br)cc1 ZINC000422772516 563348987 /nfs/dbraw/zinc/34/89/87/563348987.db2.gz ZFMCHGFTZNCCGS-IUODEOHRSA-N 1 0 389.359 2.589 20 0 GFADRO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C(=O)N(C)CC1CC[NH+](C)CC1 ZINC000298258180 563349049 /nfs/dbraw/zinc/34/90/49/563349049.db2.gz FOKHYJWHIRFFRW-UHFFFAOYSA-N 1 0 386.323 2.752 20 0 GFADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N(C)Cc2cc(Cl)cc(Cl)c2)C1 ZINC000298260026 563349539 /nfs/dbraw/zinc/34/95/39/563349539.db2.gz FUUAZTQGZFBGKV-ZDUSSCGKSA-N 1 0 386.323 2.752 20 0 GFADRO CCN(CC)S(=O)(=O)c1cc(NC(=O)[C@@H](C(C)C)[C@@H](C)[NH3+])ccc1Cl ZINC000422922523 563350616 /nfs/dbraw/zinc/35/06/16/563350616.db2.gz TUCAHTINCMTTHZ-WBMJQRKESA-N 1 0 389.949 2.928 20 0 GFADRO O=S1(=O)CC[C@@H]([NH2+]C2CCN(c3ccnc4cc(Cl)ccc43)CC2)C1 ZINC000373796382 563351311 /nfs/dbraw/zinc/35/13/11/563351311.db2.gz UJCCGVSPMSQDPG-OAHLLOKOSA-N 1 0 379.913 2.634 20 0 GFADRO CCOC(=O)[C@H]1NCC[C@@H]1[NH2+]CCc1csc(-c2ccc(Cl)cc2)n1 ZINC000423013012 563353159 /nfs/dbraw/zinc/35/31/59/563353159.db2.gz LVDAWPRFHPRSHR-HOTGVXAUSA-N 1 0 379.913 2.889 20 0 GFADRO C[C@H](C[C@@H]1COCCN1)[NH2+]CCCOc1ncc(C(F)(F)F)cc1Cl ZINC000423015085 563353384 /nfs/dbraw/zinc/35/33/84/563353384.db2.gz QJYNSXCRTMHBPR-DGCLKSJQSA-N 1 0 381.826 2.879 20 0 GFADRO C[C@@H](CCc1ccc(Br)cc1)NC(=O)c1cn(CCCC[NH3+])nn1 ZINC000423078923 563353813 /nfs/dbraw/zinc/35/38/13/563353813.db2.gz PQUZKBGVOZHVQP-ZDUSSCGKSA-N 1 0 394.317 2.531 20 0 GFADRO NC(=O)C1CC[NH+](CCCCNC(=O)Nc2ccc(Br)cc2)CC1 ZINC000298417976 563354485 /nfs/dbraw/zinc/35/44/85/563354485.db2.gz SOJMUIXQHOWJGE-UHFFFAOYSA-N 1 0 397.317 2.548 20 0 GFADRO CC1(C)CCC[NH2+][C@H]1C(=O)NCc1cc(Br)c2c(c1)OCCO2 ZINC000423098264 563355426 /nfs/dbraw/zinc/35/54/26/563355426.db2.gz RWLGDKYHTJGJTK-HNNXBMFYSA-N 1 0 383.286 2.615 20 0 GFADRO CC1(C)CCC[NH2+][C@@H]1C(=O)NCc1cc(Br)c2c(c1)OCCO2 ZINC000423098265 563355683 /nfs/dbraw/zinc/35/56/83/563355683.db2.gz RWLGDKYHTJGJTK-OAHLLOKOSA-N 1 0 383.286 2.615 20 0 GFADRO CCOC(=O)[C@@H]1NCC[C@@H]1[NH2+][C@@H](CCOC)c1ccc(Cl)c(Cl)c1 ZINC000423111111 563356097 /nfs/dbraw/zinc/35/60/97/563356097.db2.gz VVEOEKLFIAXAEM-HRCADAONSA-N 1 0 375.296 2.954 20 0 GFADRO O=S(=O)(NCCCC[N@H+]1CCC[C@@H]1CO)c1ccc(Cl)cc1Cl ZINC000280847949 563357251 /nfs/dbraw/zinc/35/72/51/563357251.db2.gz CHQLQDYJCIQPHU-CYBMUJFWSA-N 1 0 381.325 2.509 20 0 GFADRO COC[C@@]1(C(=O)N2CCO[C@@H](c3cc(F)c(Cl)cc3Cl)C2)CC[NH2+]C1 ZINC000423150379 563357236 /nfs/dbraw/zinc/35/72/36/563357236.db2.gz BVZZINCPVFZNHN-NVXWUHKLSA-N 1 0 391.270 2.659 20 0 GFADRO C[NH2+][C@H]1CCCN(C(=O)C(=O)N(Cc2ccc(Cl)c(Cl)c2)C2CC2)C1 ZINC000423166109 563357569 /nfs/dbraw/zinc/35/75/69/563357569.db2.gz CGXCRVHZACRJFB-ZDUSSCGKSA-N 1 0 384.307 2.695 20 0 GFADRO C[C@@H]([NH2+]C[C@@H](CO)Cc1cc(F)cc(Br)c1)c1cnccc1N ZINC000423167192 563357606 /nfs/dbraw/zinc/35/76/06/563357606.db2.gz DSJMEFVTNHKVEU-YPMHNXCESA-N 1 0 382.277 2.898 20 0 GFADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N(C)Cc2c(Cl)cccc2Cl)C1 ZINC000298526027 563359015 /nfs/dbraw/zinc/35/90/15/563359015.db2.gz ZWEOLPWZZLHEQN-ZDUSSCGKSA-N 1 0 386.323 2.752 20 0 GFADRO CCCC[C@@H](C[NH3+])N[C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000423300157 563359444 /nfs/dbraw/zinc/35/94/44/563359444.db2.gz QZHJAYPSUWMLHD-GXTWGEPZSA-N 1 0 375.332 2.775 20 0 GFADRO C[C@H](Oc1ccc(F)cc1Br)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000298595662 563361193 /nfs/dbraw/zinc/36/11/93/563361193.db2.gz ZHCGIUGSWKPKKB-NWDGAFQWSA-N 1 0 385.277 2.956 20 0 GFADRO C[C@@H]1c2c(Cl)cc(Cl)cc2CCN1C(=O)C(=O)N1CCC(C[NH3+])CC1 ZINC000423546543 563362145 /nfs/dbraw/zinc/36/21/45/563362145.db2.gz FMACVUZMZJPMKL-LLVKDONJSA-N 1 0 384.307 2.636 20 0 GFADRO CN(Cc1c(Cl)cccc1Cl)C(=O)C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423600743 563362202 /nfs/dbraw/zinc/36/22/02/563362202.db2.gz ZMFBIJOPRBBANC-FUNVUKJBSA-N 1 0 384.307 2.693 20 0 GFADRO COC[C@@H]([NH2+]CCC(=O)Nc1ccc(Br)cc1F)[C@@H]1CCCO1 ZINC000298695521 563363717 /nfs/dbraw/zinc/36/37/17/563363717.db2.gz ZPWMWDAPSOKDHX-CABCVRRESA-N 1 0 389.265 2.700 20 0 GFADRO C[N@@H+]1CCCC12CCN(C(=O)C1(c3cncc(Br)c3)CC1)CC2 ZINC000374225190 563365116 /nfs/dbraw/zinc/36/51/16/563365116.db2.gz NDMDUKNVTQOZDD-UHFFFAOYSA-N 1 0 378.314 2.963 20 0 GFADRO Cc1ccccc1C[NH+]1CCC(NC(=O)Cn2cc(Br)cn2)CC1 ZINC000298751954 563365269 /nfs/dbraw/zinc/36/52/69/563365269.db2.gz CQGHONLUFJFFTM-UHFFFAOYSA-N 1 0 391.313 2.735 20 0 GFADRO CC(C)(C)[C@H](C[NH3+])NC(=O)c1cc(F)c(F)cc1I ZINC000423958489 563365623 /nfs/dbraw/zinc/36/56/23/563365623.db2.gz QPRLYMNCNUJEPU-NSHDSACASA-N 1 0 382.192 2.673 20 0 GFADRO COc1ccc(Br)cc1CC(=O)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000423976203 563366549 /nfs/dbraw/zinc/36/65/49/563366549.db2.gz ONJQPTYOUKEIBK-CZUORRHYSA-N 1 0 381.314 2.991 20 0 GFADRO Cn1nc(Br)cc1C(=O)NC[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000374281725 563366855 /nfs/dbraw/zinc/36/68/55/563366855.db2.gz ZCJWCIZZGINWGR-GOSISDBHSA-N 1 0 391.313 2.825 20 0 GFADRO C[C@@H]1CCN(C(=O)[C@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)C[C@@H]1C[NH3+] ZINC000424017077 563367216 /nfs/dbraw/zinc/36/72/16/563367216.db2.gz OPMXDSAHCZRECA-MBNYWOFBSA-N 1 0 384.307 2.790 20 0 GFADRO CC(C)(CC[NH3+])NC(=O)CCCOc1ccc(I)cc1 ZINC000424045677 563367678 /nfs/dbraw/zinc/36/76/78/563367678.db2.gz IVJDGHLZFRBMGL-UHFFFAOYSA-N 1 0 390.265 2.694 20 0 GFADRO C[NH2+]CCCN(C)C(=O)[C@@H](C)SCc1nc2sc(C)c(C)c2c(=O)[nH]1 ZINC000424038202 563367745 /nfs/dbraw/zinc/36/77/45/563367745.db2.gz XOEPJERKRIJYIU-GFCCVEGCSA-N 1 0 382.555 2.703 20 0 GFADRO C[NH2+]CCCN(C)C(=O)c1cccc(NC(=O)c2ccc(Br)o2)c1 ZINC000424032531 563367920 /nfs/dbraw/zinc/36/79/20/563367920.db2.gz LJHSJONAAGNDEQ-UHFFFAOYSA-N 1 0 394.269 2.976 20 0 GFADRO C[C@@H]1C[C@H](C)N(C(=O)Cc2cccc(I)c2)C[C@@H]1C[NH3+] ZINC000424055224 563368615 /nfs/dbraw/zinc/36/86/15/563368615.db2.gz RAIHOJXXRZOBNE-DYEKYZERSA-N 1 0 386.277 2.666 20 0 GFADRO COC(=O)c1cnc([C@H](C)NC(=O)NC[C@@H](c2cccs2)[NH+](C)C)s1 ZINC000424056957 563368783 /nfs/dbraw/zinc/36/87/83/563368783.db2.gz AOXWYQANOCCNFP-QWRGUYRKSA-N 1 0 382.511 2.654 20 0 GFADRO COc1cc(C(=O)N2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)cc(Br)c1OC ZINC000424080194 563370023 /nfs/dbraw/zinc/37/00/23/563370023.db2.gz VIJNPMZEEBLVBL-MDZLAQPJSA-N 1 0 385.302 2.912 20 0 GFADRO CC[C@]1(C(=O)N2CCN(C(=O)c3cc4sccc4s3)CC2)CC[NH2+]C1 ZINC000374396128 563371405 /nfs/dbraw/zinc/37/14/05/563371405.db2.gz XEPKZDGXLQOLOU-SFHVURJKSA-N 1 0 377.535 2.637 20 0 GFADRO COC(=O)CC1CC([NH2+]Cc2cc(C(F)(F)F)cc(S(C)(=O)=O)c2)C1 ZINC000424352359 563376291 /nfs/dbraw/zinc/37/62/91/563376291.db2.gz PUQHPZLYYNBGQW-UHFFFAOYSA-N 1 0 379.400 2.540 20 0 GFADRO COCCOc1c(Cl)cc(S(=O)(=O)N[C@@H]2CCCC[C@H]2[NH3+])cc1Cl ZINC000424363963 563376928 /nfs/dbraw/zinc/37/69/28/563376928.db2.gz PPZJBAHZCVYFST-ZIAGYGMSSA-N 1 0 397.324 2.567 20 0 GFADRO C[C@@H]1CC2(CN1S(=O)(=O)c1ccc(F)c(Br)c1)CC[NH2+]CC2 ZINC000424393097 563377859 /nfs/dbraw/zinc/37/78/59/563377859.db2.gz QWCIQSDDTOSADX-LLVKDONJSA-N 1 0 391.306 2.741 20 0 GFADRO COC(=O)c1c(C)c(NC(=O)N[C@@H]2CCCC[C@H]2[NH3+])ccc1Br ZINC000424417116 563378893 /nfs/dbraw/zinc/37/88/93/563378893.db2.gz MWRDHEKKCUZZJD-DGCLKSJQSA-N 1 0 384.274 2.936 20 0 GFADRO Cn1ccnc1[C@@](O)(C[NH2+]Cc1cc(Br)cs1)C(F)(F)F ZINC000299302553 563380552 /nfs/dbraw/zinc/38/05/52/563380552.db2.gz AZZYGKRJVUIUOI-NSHDSACASA-N 1 0 384.221 2.784 20 0 GFADRO CCC[N@@H+](CC(=O)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1)CC(C)C ZINC000299393748 563382740 /nfs/dbraw/zinc/38/27/40/563382740.db2.gz KISOUHDKDVNSDI-INIZCTEOSA-N 1 0 386.583 2.632 20 0 GFADRO CCN1CC[C@@H]([NH2+]CC(=O)NCC(F)(F)F)[C@H]1c1ccc(Cl)c(F)c1 ZINC000374826198 563383738 /nfs/dbraw/zinc/38/37/38/563383738.db2.gz FHOLVDGLMUAJJD-UKRRQHHQSA-N 1 0 381.801 2.883 20 0 GFADRO C[N@@H+]1CCCC12CCN(C(=O)c1cccc(I)c1)CC2 ZINC000374894544 563385159 /nfs/dbraw/zinc/38/51/59/563385159.db2.gz KZPGIADPCZINLV-UHFFFAOYSA-N 1 0 384.261 2.992 20 0 GFADRO CS(=O)(=O)N1CC[C@@H](C[N@@H+]2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)C1 ZINC000374913761 563385757 /nfs/dbraw/zinc/38/57/57/563385757.db2.gz OMEMZAAFUCUAPE-NWDGAFQWSA-N 1 0 397.488 2.623 20 0 GFADRO CN(C(=O)Cc1noc2ccc(Br)cc21)[C@H]1C[NH+]2CCC1CC2 ZINC000424667743 563386375 /nfs/dbraw/zinc/38/63/75/563386375.db2.gz RNOLRVGFOUQBGP-HNNXBMFYSA-N 1 0 378.270 2.685 20 0 GFADRO Cc1sc(C(=O)NC[C@H](C(C)C)N2CC[NH+](C)CC2)cc1Br ZINC000424659788 563386457 /nfs/dbraw/zinc/38/64/57/563386457.db2.gz SPJJVPAJDPNUKY-CQSZACIVSA-N 1 0 388.375 2.821 20 0 GFADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)Nc1cc(Cl)c(N)c(Cl)c1 ZINC000299669011 563388941 /nfs/dbraw/zinc/38/89/41/563388941.db2.gz MDXBRULIVIJNPX-NEPJUHHUSA-N 1 0 385.295 2.599 20 0 GFADRO [NH3+][C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(F)c(F)cc1I ZINC000375256245 563397658 /nfs/dbraw/zinc/39/76/58/563397658.db2.gz OHOJDBYHFZGDBS-AYMMMOKOSA-N 1 0 392.187 2.664 20 0 GFADRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(c2cnn(C)c(=O)c2Br)C1 ZINC000301269341 563398414 /nfs/dbraw/zinc/39/84/14/563398414.db2.gz IZPKUQSELWTABS-KBPBESRZSA-N 1 0 383.334 2.634 20 0 GFADRO CC(C)n1c(Sc2ncc(C(N)=O)cc2Cl)nnc1C1CC[NH2+]CC1 ZINC000301306072 563399839 /nfs/dbraw/zinc/39/98/39/563399839.db2.gz YPYGDEJCFOOPEN-UHFFFAOYSA-N 1 0 380.905 2.625 20 0 GFADRO COCC(C)(C)[NH+]1CCN(C(=O)CCc2ccc(Br)cc2)CC1 ZINC000424989498 563399898 /nfs/dbraw/zinc/39/98/98/563399898.db2.gz ILOJJVJBCZAPSG-UHFFFAOYSA-N 1 0 383.330 2.951 20 0 GFADRO COc1cc(NC(=O)NCCN2CC[N@H+](C)C(C)(C)C2)ccc1Br ZINC000282168873 563400363 /nfs/dbraw/zinc/40/03/63/563400363.db2.gz JMEOFDSJBSUNBD-UHFFFAOYSA-N 1 0 399.333 2.605 20 0 GFADRO C[N@@H+]1CCN(CCNC(=O)Nc2cc(Br)ccc2F)CC1(C)C ZINC000282202017 563401665 /nfs/dbraw/zinc/40/16/65/563401665.db2.gz LUEHBGSAEHDKDR-UHFFFAOYSA-N 1 0 387.297 2.736 20 0 GFADRO C[C@H](CNc1ccc(S(N)(=O)=O)c(C(F)(F)F)c1)[N@@H+]1CCC[C@H](C)C1 ZINC000301433944 563403814 /nfs/dbraw/zinc/40/38/14/563403814.db2.gz LLKQTIDRNMJKSV-NWDGAFQWSA-N 1 0 379.448 2.885 20 0 GFADRO CC(C)(C)[N@@H+]1CCc2nc(NC(=O)CNC(=O)c3cccs3)sc2C1 ZINC000425076744 563403952 /nfs/dbraw/zinc/40/39/52/563403952.db2.gz GKYUNYLHKWWERW-UHFFFAOYSA-N 1 0 378.523 2.730 20 0 GFADRO CS(=O)(=O)c1ccc(-c2nc(C[NH2+][C@H]3CCO[C@@H]3C3CC3)cs2)cc1 ZINC000375425386 563405213 /nfs/dbraw/zinc/40/52/13/563405213.db2.gz GMVQVSSIZMDPGX-DLBZAZTESA-N 1 0 378.519 2.871 20 0 GFADRO Cc1cc(C)c(NC(=O)N2CCC[N@@H+]([C@@H](C)CO)CC2)cc1Br ZINC000375494315 563407112 /nfs/dbraw/zinc/40/71/12/563407112.db2.gz KRTHGCFKSBKKQF-AWEZNQCLSA-N 1 0 384.318 2.986 20 0 GFADRO C[C@H](CO)[N@@H+]1CCCN(Cc2ncc(-c3ccccc3Br)o2)CC1 ZINC000375494996 563407178 /nfs/dbraw/zinc/40/71/78/563407178.db2.gz MJHIOLAYEYTAAD-CQSZACIVSA-N 1 0 394.313 2.993 20 0 GFADRO C[C@@H]1C[N@@H+](CCC2CCN(c3ncc(Br)cn3)CC2)C[C@H](C)O1 ZINC000301580437 563407325 /nfs/dbraw/zinc/40/73/25/563407325.db2.gz UNIMHDQYLJGDSH-OKILXGFUSA-N 1 0 383.334 2.955 20 0 GFADRO C[C@H]1C[C@@H](Nc2cnn(C)c(=O)c2Br)C[N@@H+]1Cc1ccccc1 ZINC000301640863 563409010 /nfs/dbraw/zinc/40/90/10/563409010.db2.gz YRARZPQDYTXYHH-GXTWGEPZSA-N 1 0 377.286 2.618 20 0 GFADRO C[C@@H]([NH2+]CC1(OCCO)CCOCC1)c1ccc(Br)cc1F ZINC000282399949 563409914 /nfs/dbraw/zinc/40/99/14/563409914.db2.gz BUXIMVYUURPMLA-GFCCVEGCSA-N 1 0 376.266 2.797 20 0 GFADRO O=C(CCCS(=O)(=O)c1ccc(Cl)cc1)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000375640822 563412527 /nfs/dbraw/zinc/41/25/27/563412527.db2.gz INFLHYCIZPFATH-CVEARBPZSA-N 1 0 384.929 2.637 20 0 GFADRO Cc1sc(Br)c(C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)c1C ZINC000282541374 563415189 /nfs/dbraw/zinc/41/51/89/563415189.db2.gz XOAHQHIGTIAMNX-LLVKDONJSA-N 1 0 388.375 2.741 20 0 GFADRO C[C@H]1CN(C(=O)c2ccc(Br)s2)CCN1C1CC[NH+](C)CC1 ZINC000375799647 563418286 /nfs/dbraw/zinc/41/82/86/563418286.db2.gz ZWCIWQBRKDOESP-LBPRGKRZSA-N 1 0 386.359 2.751 20 0 GFADRO O=S(=O)(c1cccs1)N1CC[C@@H](C[NH2+][C@@H]2CCCC23CCOCC3)C1 ZINC000375840102 563420644 /nfs/dbraw/zinc/42/06/44/563420644.db2.gz OKDUFKVIONVNND-JKSUJKDBSA-N 1 0 384.567 2.698 20 0 GFADRO CCN(CC)C(=O)C[N@@H+]1CCCN(c2ccc(Br)c(C)n2)CC1 ZINC000302099169 563420702 /nfs/dbraw/zinc/42/07/02/563420702.db2.gz UIDAUOZPWCSXGX-UHFFFAOYSA-N 1 0 383.334 2.533 20 0 GFADRO COCCC[C@@H]([NH2+][C@H](C)C(=O)NCCF)c1ccc(Br)cc1 ZINC000282704954 563422078 /nfs/dbraw/zinc/42/20/78/563422078.db2.gz LBNIRYCWPAEAFW-IUODEOHRSA-N 1 0 375.282 2.981 20 0 GFADRO CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cncc(Br)c1 ZINC000302400429 563424171 /nfs/dbraw/zinc/42/41/71/563424171.db2.gz DSZDKWCHRPJSOO-SFHVURJKSA-N 1 0 376.298 2.917 20 0 GFADRO COC(=O)[C@@H]1C[N@H+](CC2(O)CCCC2)C[C@H]1c1ccc(Br)cc1 ZINC000425522728 563426209 /nfs/dbraw/zinc/42/62/09/563426209.db2.gz WVJYNLSOKIFAIP-JKSUJKDBSA-N 1 0 382.298 2.943 20 0 GFADRO C[C@H](NC(=O)C[NH2+][C@@H]1CCC(=O)NC12CCC2)c1ccc(Cl)c(Cl)c1 ZINC000282894342 563429058 /nfs/dbraw/zinc/42/90/58/563429058.db2.gz WJDOQSIMBDZVOS-XHDPSFHLSA-N 1 0 384.307 2.962 20 0 GFADRO O=C1CCc2cc(Cl)c(S(=O)(=O)N3CCC[C@@H]([C@H]4CCC[NH2+]4)C3)cc21 ZINC000376123344 563430706 /nfs/dbraw/zinc/43/07/06/563430706.db2.gz RHTKAJNSYNZRJH-CZUORRHYSA-N 1 0 382.913 2.622 20 0 GFADRO COCc1ncc(C(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)s1 ZINC000376139705 563431539 /nfs/dbraw/zinc/43/15/39/563431539.db2.gz CQMXHMVXZSOUSH-UHFFFAOYSA-N 1 0 377.432 2.825 20 0 GFADRO Cc1[nH]cc(C(=O)N2CCC([NH2+]C3CCCC3)CC2)c(=O)c1Br ZINC000376271938 563435159 /nfs/dbraw/zinc/43/51/59/563435159.db2.gz XHEIMTRAXAAXBP-UHFFFAOYSA-N 1 0 382.302 2.583 20 0 GFADRO COC(=O)c1ccc(Br)cc1CN1CC[NH+](C2CCOCC2)CC1 ZINC000283082362 563435276 /nfs/dbraw/zinc/43/52/76/563435276.db2.gz KUJZWBHOUPNIEH-UHFFFAOYSA-N 1 0 397.313 2.532 20 0 GFADRO C[C@H]([NH2+]CCc1cccc(Br)c1)c1ccc(S(N)(=O)=O)cc1 ZINC000313739099 563437816 /nfs/dbraw/zinc/43/78/16/563437816.db2.gz LHXAOABIPAMRIX-LBPRGKRZSA-N 1 0 383.311 2.990 20 0 GFADRO O[C@@H](C[N@@H+]1CCCC[C@H]1Cn1ccnn1)c1ccc(F)c(Br)c1 ZINC000376332849 563438154 /nfs/dbraw/zinc/43/81/54/563438154.db2.gz CWWMTENOYYDRNR-BBRMVZONSA-N 1 0 383.265 2.768 20 0 GFADRO O=C(NC[C@H]1[NH2+]CCc2ccccc21)c1ccccc1I ZINC000314542406 563439437 /nfs/dbraw/zinc/43/94/37/563439437.db2.gz MMMTYVXJCCPWPU-MRXNPFEDSA-N 1 0 392.240 2.908 20 0 GFADRO O=S(=O)(c1c(Cl)cccc1Br)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000314500489 563439479 /nfs/dbraw/zinc/43/94/79/563439479.db2.gz MKVDBFABOGMHRC-LLVKDONJSA-N 1 0 393.734 2.961 20 0 GFADRO Cc1nc(NC[C@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)ccc1Br ZINC000376357280 563439623 /nfs/dbraw/zinc/43/96/23/563439623.db2.gz XKRFFOVCELSFSH-CXAGYDPISA-N 1 0 378.318 3.381 20 0 GFADRO COc1ccc(Br)cc1C(=O)Nc1nc2c(s1)C[C@@H]([NH3+])CC2 ZINC000319285915 563444656 /nfs/dbraw/zinc/44/46/56/563444656.db2.gz GYZPYNIHVCITER-VIFPVBQESA-N 1 0 382.283 2.983 20 0 GFADRO C[C@H]([NH3+])[C@H]1CN(C(=O)c2ccc(Br)cc2C(F)(F)F)CCO1 ZINC000320173407 563446448 /nfs/dbraw/zinc/44/64/48/563446448.db2.gz JYORKEPYTFSSRM-QPUJVOFHSA-N 1 0 381.192 2.656 20 0 GFADRO CNC(=O)C[C@@H](C)[NH2+]Cc1cc(Br)c([O-])c(Br)c1 ZINC000322822490 563449857 /nfs/dbraw/zinc/44/98/57/563449857.db2.gz WWYSUGUGUBVIMF-SSDOTTSWSA-N 1 0 380.080 2.531 20 0 GFADRO CC(C)(C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000376667250 563449973 /nfs/dbraw/zinc/44/99/73/563449973.db2.gz NQENPRDAICCLCY-LSDHHAIUSA-N 1 0 384.929 2.635 20 0 GFADRO O=C(NCC1([NH+]2CCCC2)CCOCC1)Nc1ncc(C(F)(F)F)s1 ZINC000283682991 563451387 /nfs/dbraw/zinc/45/13/87/563451387.db2.gz UNINFMZSVUTTMC-UHFFFAOYSA-N 1 0 378.420 2.928 20 0 GFADRO CC(C)[NH2+]C1CCN(c2c(Br)cccc2S(C)(=O)=O)CC1 ZINC000283706494 563451810 /nfs/dbraw/zinc/45/18/10/563451810.db2.gz DFEDFMIEKUVTIU-UHFFFAOYSA-N 1 0 375.332 2.819 20 0 GFADRO O=S(=O)(N[C@@H]1CC[NH2+]C2(CCC2)C1)c1ccc(OC(F)F)c(Cl)c1 ZINC000325065169 563453139 /nfs/dbraw/zinc/45/31/39/563453139.db2.gz VEZIHRIIFOVNFT-SNVBAGLBSA-N 1 0 380.844 2.894 20 0 GFADRO O=C(NCCOc1ncc(C(F)(F)F)cc1Cl)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000426762976 563455148 /nfs/dbraw/zinc/45/51/48/563455148.db2.gz PAENKKXVPCIMMZ-ZDUSSCGKSA-N 1 0 377.794 2.876 20 0 GFADRO CCOC(=O)C1(NC(=O)c2cc(C)c(Br)cc2C)CC[NH+](C)CC1 ZINC000376870319 563456645 /nfs/dbraw/zinc/45/66/45/563456645.db2.gz OCMVSHSDELGANO-UHFFFAOYSA-N 1 0 397.313 2.823 20 0 GFADRO CCS(=O)(=O)c1ccc([C@H](C)[NH2+]C[C@H](O)COCc2cccs2)cc1 ZINC000283993045 563461075 /nfs/dbraw/zinc/46/10/75/563461075.db2.gz DFLMBCPIYRJJNM-HOCLYGCPSA-N 1 0 383.535 2.770 20 0 GFADRO CC(C)(CCS(C)(=O)=O)[NH2+]Cc1cccc(I)c1 ZINC000284029881 563462022 /nfs/dbraw/zinc/46/20/22/563462022.db2.gz QZPPUMGUMROOSE-UHFFFAOYSA-N 1 0 381.279 2.594 20 0 GFADRO O=S(=O)(C1CC[NH+](Cc2c[nH]nc2-c2cccs2)CC1)N1CCCC1 ZINC000328646660 563462226 /nfs/dbraw/zinc/46/22/26/563462226.db2.gz GZCYEJPERQNBHZ-UHFFFAOYSA-N 1 0 380.539 2.528 20 0 GFADRO COC[C@H](C)OC[C@@H](O)C[N@@H+]1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000377080220 563462869 /nfs/dbraw/zinc/46/28/69/563462869.db2.gz FJJMDUXFXSRPIB-XQQFMLRXSA-N 1 0 382.448 2.754 20 0 GFADRO Cn1ccnc1Sc1ncc(C(=O)N2CC[N@@H+]3CCC[C@H]3C2)cc1Cl ZINC000328727115 563463777 /nfs/dbraw/zinc/46/37/77/563463777.db2.gz GFTJAZUCDKNKEX-ZDUSSCGKSA-N 1 0 377.901 2.540 20 0 GFADRO CC[NH2+]CC1CCN(C(=O)[C@H]2CCCN2C(=O)c2ccc(Cl)s2)CC1 ZINC000377130773 563464176 /nfs/dbraw/zinc/46/41/76/563464176.db2.gz YUOHADDJOBKALE-CQSZACIVSA-N 1 0 383.945 2.854 20 0 GFADRO CC(C)[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000328789585 563465543 /nfs/dbraw/zinc/46/55/43/563465543.db2.gz KUWPUYUJDIJEGN-XJKSGUPXSA-N 1 0 383.945 2.853 20 0 GFADRO C[C@@H](O)C[N@@H+]1CCN(Cc2nc(-c3cccc(Br)c3)c[nH]2)[C@H](C)C1 ZINC000328925079 563468091 /nfs/dbraw/zinc/46/80/91/563468091.db2.gz OACLYZNQVGPXLA-ZIAGYGMSSA-N 1 0 393.329 2.726 20 0 GFADRO CC[C@@H](C(=O)N(CCO)Cc1cc(Br)cs1)[NH+](CC)CC ZINC000427547178 563469665 /nfs/dbraw/zinc/46/96/65/563469665.db2.gz QCSJXDCESDFNSR-AWEZNQCLSA-N 1 0 377.348 2.952 20 0 GFADRO COc1ccc([C@H](C[NH+](C)C)NC(=O)C(=O)Nc2ccsc2Cl)cc1 ZINC000284319739 563470613 /nfs/dbraw/zinc/47/06/13/563470613.db2.gz POYHQYWVLVIXSH-AWEZNQCLSA-N 1 0 381.885 2.768 20 0 GFADRO C[C@H](Oc1ccc(Cl)cc1Br)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000427612458 563470977 /nfs/dbraw/zinc/47/09/77/563470977.db2.gz NSNVAZCOHWSHRD-OUJBWJOFSA-N 1 0 375.694 2.984 20 0 GFADRO CCOc1ccc(Br)cc1NC(=O)N1CC[C@@H]2OCCN(C)[C@@H]2C1 ZINC000284476053 563476361 /nfs/dbraw/zinc/47/63/61/563476361.db2.gz AMVMZWOBZSEXDF-ZBFHGGJFSA-N 1 0 398.301 2.785 20 0 GFADRO C[N@@H+]1CCC[C@@H]2CN(Cc3ncc(I)s3)CC[C@@H]21 ZINC000377547301 563478708 /nfs/dbraw/zinc/47/87/08/563478708.db2.gz CILSQKLEDRRRNU-MNOVXSKESA-N 1 0 377.295 2.664 20 0 GFADRO CC1CC[NH+](CC(=O)N[C@H]2CCN(c3cccc(Br)c3)C2)CC1 ZINC000428061920 563481281 /nfs/dbraw/zinc/48/12/81/563481281.db2.gz PIQZQWNSYSVRSW-INIZCTEOSA-N 1 0 380.330 2.876 20 0 GFADRO CC[NH+]1CCN(CCC(=O)N[C@@H]2CSc3ccc(Br)cc32)CC1 ZINC000428195298 563485183 /nfs/dbraw/zinc/48/51/83/563485183.db2.gz NQRIIYSQKWBNRO-OAHLLOKOSA-N 1 0 398.370 2.740 20 0 GFADRO O=S(=O)(CCC(F)(F)F)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000377767732 563485760 /nfs/dbraw/zinc/48/57/60/563485760.db2.gz IOBURAFDEZKDNX-JKSUJKDBSA-N 1 0 376.444 2.723 20 0 GFADRO Cc1ncc(C[N@@H+]2CC[C@H](NC(=O)CCOCC(F)(F)F)[C@H](C)C2)s1 ZINC000377789755 563487151 /nfs/dbraw/zinc/48/71/51/563487151.db2.gz JDWDRTKKQNEIDP-RISCZKNCSA-N 1 0 379.448 2.747 20 0 GFADRO O=C(NCCc1nc(C(F)(F)F)cs1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000377891908 563489953 /nfs/dbraw/zinc/48/99/53/563489953.db2.gz ATNZBZIAHWASFT-GFCCVEGCSA-N 1 0 376.448 2.974 20 0 GFADRO C[NH2+][C@H]1CCN(C(=O)c2ccc(OCc3cc(C)on3)c(Br)c2)C1 ZINC000428436156 563492330 /nfs/dbraw/zinc/49/23/30/563492330.db2.gz HFYQDYXLHQVWLG-ZDUSSCGKSA-N 1 0 394.269 2.758 20 0 GFADRO C[NH2+][C@H]1CCN(C(=O)c2cccn2-c2ccc(I)cc2)C1 ZINC000428446845 563492353 /nfs/dbraw/zinc/49/23/53/563492353.db2.gz KSTHRJKPCBDQMG-ZDUSSCGKSA-N 1 0 395.244 2.516 20 0 GFADRO O=C(CCc1ccc(Br)cc1)NC[C@H]1CCC[C@H]1[NH+]1CCOCC1 ZINC000377999222 563493045 /nfs/dbraw/zinc/49/30/45/563493045.db2.gz IRFDKVXAUKLQKQ-SJLPKXTDSA-N 1 0 395.341 2.999 20 0 GFADRO O=C(c1c[nH]c2ncc(Br)cc12)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000329981519 563493177 /nfs/dbraw/zinc/49/31/77/563493177.db2.gz NKHKGHMQZXXIGD-LBPRGKRZSA-N 1 0 377.286 2.883 20 0 GFADRO O=S(=O)(NC1CC[NH+](C2CCCC2)CC1)c1ccc(C(F)(F)F)cn1 ZINC000330156990 563497071 /nfs/dbraw/zinc/49/70/71/563497071.db2.gz PLAYKTXIWREODX-UHFFFAOYSA-N 1 0 377.432 2.786 20 0 GFADRO O=C(CNC(=O)c1ccc(Cl)c(Cl)c1)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000378235791 563499777 /nfs/dbraw/zinc/49/97/77/563499777.db2.gz WSWUBFWIPICTCQ-MRXNPFEDSA-N 1 0 384.307 2.714 20 0 GFADRO C[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)CC1 ZINC000285048926 563501044 /nfs/dbraw/zinc/50/10/44/563501044.db2.gz VKQFHGMLGYRSIN-MRXNPFEDSA-N 1 0 384.307 2.867 20 0 GFADRO O=C1[C@H]([NH2+][C@H](CO)c2ccc(Br)cc2)CCCN1CC(F)(F)F ZINC000428815716 563502653 /nfs/dbraw/zinc/50/26/53/563502653.db2.gz VSXNQSCYJWELBD-CHWSQXEVSA-N 1 0 395.219 2.625 20 0 GFADRO C[C@@H](O)C[N@@H+]1CCN(Cc2nnc(-c3ccc(Cl)cc3Cl)o2)[C@@H](C)C1 ZINC000330394325 563503233 /nfs/dbraw/zinc/50/32/33/563503233.db2.gz DBTHXKRIWJTSNA-NWDGAFQWSA-N 1 0 385.295 2.930 20 0 GFADRO CC(C)[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)N1CCC(C[NH+](C)C)CC1 ZINC000330400872 563504039 /nfs/dbraw/zinc/50/40/39/563504039.db2.gz SYRXDKLKDFRZCU-MRXNPFEDSA-N 1 0 385.961 2.956 20 0 GFADRO Cn1cc([C@H](O)C[C@H]2CCC[N@@H+]2Cc2cc(O)ccc2Br)cn1 ZINC000378382543 563505264 /nfs/dbraw/zinc/50/52/64/563505264.db2.gz ZHURHUITWUEPAX-RHSMWYFYSA-N 1 0 380.286 2.976 20 0 GFADRO O=S1(=O)CC[C@@]2(C1)C[C@H]([NH2+]Cc1csc(-c3cccs3)n1)CCO2 ZINC000378465987 563507243 /nfs/dbraw/zinc/50/72/43/563507243.db2.gz YZOHJYUJMDGJDN-WBMJQRKESA-N 1 0 384.548 2.698 20 0 GFADRO Cc1ccc(NC(=O)CC[NH2+][C@@H](CO)c2ccc(Br)c(F)c2)nc1 ZINC000429021835 563507759 /nfs/dbraw/zinc/50/77/59/563507759.db2.gz QTTKOWRSNGDSIU-HNNXBMFYSA-N 1 0 396.260 2.943 20 0 GFADRO C[C@H]([NH2+]C[C@@H]1CCC[C@@]12NC(=O)N(C)C2=O)c1cc(Br)ccc1F ZINC000378470036 563508325 /nfs/dbraw/zinc/50/83/25/563508325.db2.gz AJCLAGWCZBXBLD-PSVSLLHZSA-N 1 0 398.276 2.959 20 0 GFADRO CSc1nnc(CNC(=O)NCC[C@@H](C)[N@H+](C)Cc2ccccc2)s1 ZINC000429135257 563510973 /nfs/dbraw/zinc/51/09/73/563510973.db2.gz MWPRSBSDOORIPE-CYBMUJFWSA-N 1 0 379.555 2.970 20 0 GFADRO COc1ccc(Br)cc1C(=O)CCC(=O)N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000429158185 563511060 /nfs/dbraw/zinc/51/10/60/563511060.db2.gz BZNUMXXKFWPEQT-RISCZKNCSA-N 1 0 383.286 2.616 20 0 GFADRO COC(=O)CN(C)C(=O)CC[NH2+]C(C)(C)Cc1ccc(Br)c(C)c1 ZINC000429261755 563513008 /nfs/dbraw/zinc/51/30/08/563513008.db2.gz RNGQPCFUNLVLGB-UHFFFAOYSA-N 1 0 399.329 2.690 20 0 GFADRO Cn1ccnc1Sc1ncc(C(=O)N[C@H]2CCCC[C@H]2C[NH3+])cc1Cl ZINC000429296652 563513996 /nfs/dbraw/zinc/51/39/96/563513996.db2.gz SZJDQFNZEVEBAF-FZMZJTMJSA-N 1 0 379.917 2.867 20 0 GFADRO O=C(C[NH2+][C@@H]1Cc2cccc(O)c2C1)Nc1ccc(Br)cc1F ZINC000429295935 563514257 /nfs/dbraw/zinc/51/42/57/563514257.db2.gz BTCZDQZFDRXXLZ-GFCCVEGCSA-N 1 0 379.229 2.989 20 0 GFADRO COc1cc(C[NH2+][C@H](C)C(C)(C)n2cncn2)cc(Br)c1OC ZINC000285338450 563515452 /nfs/dbraw/zinc/51/54/52/563515452.db2.gz UROVQAWVKCFYSC-LLVKDONJSA-N 1 0 383.290 2.971 20 0 GFADRO CN1CCN(C(=O)CC[NH2+][C@H]2c3cccc(Br)c3CC2(C)C)CC1 ZINC000429373083 563515572 /nfs/dbraw/zinc/51/55/72/563515572.db2.gz QEXFSYPKYDIYAH-SFHVURJKSA-N 1 0 394.357 2.826 20 0 GFADRO COC[C@H]([NH2+]C[C@H](CO)Cc1cccc(Br)c1)C1CCOCC1 ZINC000429423185 563516443 /nfs/dbraw/zinc/51/64/43/563516443.db2.gz AYHSSICMVDPJOX-QAPCUYQASA-N 1 0 386.330 2.631 20 0 GFADRO O=C1NC(=O)C2(CCC([NH2+]Cc3cc(Br)ccc3Cl)CC2)N1 ZINC000285359203 563516908 /nfs/dbraw/zinc/51/69/08/563516908.db2.gz BEWZGDNDWSZMFL-UHFFFAOYSA-N 1 0 386.677 2.713 20 0 GFADRO CCN(CC)C(=O)C[C@@H](C)[NH2+]C[C@H](CO)Cc1ccc(Br)cc1 ZINC000429455797 563517129 /nfs/dbraw/zinc/51/71/29/563517129.db2.gz QLMQXWLNACWHFI-GDBMZVCRSA-N 1 0 385.346 2.837 20 0 GFADRO CC(C)NS(=O)(=O)NCC[NH2+][C@@H](c1ccc(Cl)c(Cl)c1)C1CC1 ZINC000429458872 563517182 /nfs/dbraw/zinc/51/71/82/563517182.db2.gz XFFZTNWFTQMHAO-OAHLLOKOSA-N 1 0 380.341 2.867 20 0 GFADRO COc1cc(Cl)c(S(=O)(=O)N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)cc1OC ZINC000285389078 563518154 /nfs/dbraw/zinc/51/81/54/563518154.db2.gz SGIMVYSWTSCQIG-OLZOCXBDSA-N 1 0 388.917 2.605 20 0 GFADRO Cc1cc(COc2ccc(C(=O)N[C@H](C[NH3+])C3CC3)cc2Br)no1 ZINC000429558787 563519097 /nfs/dbraw/zinc/51/90/97/563519097.db2.gz VEMZJZVDEIKPRM-OAHLLOKOSA-N 1 0 394.269 2.792 20 0 GFADRO [NH3+]C[C@@H]1c2ccccc2CCN1S(=O)(=O)c1ccccc1Br ZINC000387844961 563520602 /nfs/dbraw/zinc/52/06/02/563520602.db2.gz FCFVBOONKLEDFR-OAHLLOKOSA-N 1 0 381.295 2.696 20 0 GFADRO CS(=O)(=O)N[C@H]1CCCC[C@H]1[NH2+]Cc1cccc(OCC(F)(F)F)c1 ZINC000429723448 563521060 /nfs/dbraw/zinc/52/10/60/563521060.db2.gz VBWPYXPTUHXQCH-CABCVRRESA-N 1 0 380.432 2.578 20 0 GFADRO CNC(=O)[C@H]1CCC[C@H]1[NH2+]CC(=O)Nc1ccc(Br)cc1Cl ZINC000429762571 563521751 /nfs/dbraw/zinc/52/17/51/563521751.db2.gz GJAITUBKAHWBJT-CMPLNLGQSA-N 1 0 388.693 2.545 20 0 GFADRO Cc1ncc(S(=O)(=O)N2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)s1 ZINC000285461494 563521952 /nfs/dbraw/zinc/52/19/52/563521952.db2.gz ZGONMLNAUUTGNL-SFHVURJKSA-N 1 0 377.535 2.738 20 0 GFADRO O=C(C[C@H]1C[NH2+]CCO1)Nc1nc(-c2cccc(Br)c2)cs1 ZINC000429748796 563522058 /nfs/dbraw/zinc/52/20/58/563522058.db2.gz PBWKGVRZRBDSPH-LBPRGKRZSA-N 1 0 382.283 2.890 20 0 GFADRO CC[C@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000429769096 563522455 /nfs/dbraw/zinc/52/24/55/563522455.db2.gz DKLYIQOHSQZLBU-WFASDCNBSA-N 1 0 387.933 2.697 20 0 GFADRO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)c2cscc2Br)CC1 ZINC000285512746 563524105 /nfs/dbraw/zinc/52/41/05/563524105.db2.gz QZHXZUWGYGDQCD-ZDUSSCGKSA-N 1 0 386.359 2.753 20 0 GFADRO CCCOc1ccc(Br)cc1C[NH2+]C1CCN(C(=O)COC)CC1 ZINC000391943545 563525487 /nfs/dbraw/zinc/52/54/87/563525487.db2.gz YSKUBYHSFPVWIV-UHFFFAOYSA-N 1 0 399.329 2.965 20 0 GFADRO CC(=O)N[C@H](CC(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(Br)cc1 ZINC000330917529 563527611 /nfs/dbraw/zinc/52/76/11/563527611.db2.gz WHZPKXJNMJIPGM-AFAVFJNCSA-N 1 0 396.329 2.615 20 0 GFADRO CC(=O)c1cc(Br)ccc1OCC(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000285621931 563529542 /nfs/dbraw/zinc/52/95/42/563529542.db2.gz KHTHYEPMYGDPQL-MLGOLLRUSA-N 1 0 397.313 2.829 20 0 GFADRO C[C@@H]([NH2+]C[C@H](O)COC1CCOCC1)c1ccc(Br)cc1F ZINC000285659179 563530553 /nfs/dbraw/zinc/53/05/53/563530553.db2.gz MSCVLHVYJJDAKQ-YPMHNXCESA-N 1 0 376.266 2.795 20 0 GFADRO Cc1cc(Br)ccc1C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000395161366 563531137 /nfs/dbraw/zinc/53/11/37/563531137.db2.gz UGXXHCXKQISJBT-QAPCUYQASA-N 1 0 394.357 2.838 20 0 GFADRO O=C(NC1CC1)N[C@H]1CCN(Cc2nc3cc(Br)ccc3o2)C1 ZINC000285697097 563532584 /nfs/dbraw/zinc/53/25/84/563532584.db2.gz RKXUBBNJXSHTLQ-LBPRGKRZSA-N 1 0 379.258 2.626 20 0 GFADRO CC[C@@H](C(=O)NC[C@H](CO)Cc1cccc(Br)c1)[NH+](CC)CC ZINC000430146115 563535756 /nfs/dbraw/zinc/53/57/56/563535756.db2.gz GCLDOZLIRDSFIA-WBVHZDCISA-N 1 0 385.346 2.837 20 0 GFADRO COC(=O)CN(C)C(=O)CC[N@@H+]1CCC[C@H]1c1ccc(Br)c(C)c1 ZINC000430246116 563539226 /nfs/dbraw/zinc/53/92/26/563539226.db2.gz RAANHOWVPULWQW-INIZCTEOSA-N 1 0 397.313 2.916 20 0 GFADRO COC(=O)CNC(=O)CC[N@@H+]1CCC[C@@H]1c1ccc(Br)c(C)c1 ZINC000430244837 563539233 /nfs/dbraw/zinc/53/92/33/563539233.db2.gz YOGZRVJVRVLURX-OAHLLOKOSA-N 1 0 383.286 2.574 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cn3ccc(Br)cc3n2)[C@@H](C)C1 ZINC000285854850 563539766 /nfs/dbraw/zinc/53/97/66/563539766.db2.gz XGLYGPLAKKJDRE-SWLSCSKDSA-N 1 0 379.302 2.899 20 0 GFADRO CC(C)[C@H](CNS(=O)(=O)c1ccc(Cl)cc1Cl)N1CC[NH+](C)CC1 ZINC000331205113 563540098 /nfs/dbraw/zinc/54/00/98/563540098.db2.gz XPFHAJZMNFLAHU-HNNXBMFYSA-N 1 0 394.368 2.544 20 0 GFADRO COc1cc(Br)ccc1CNC(=O)N1CC[C@H]2CC[N@H+](C)C[C@H]21 ZINC000430273594 563540556 /nfs/dbraw/zinc/54/05/56/563540556.db2.gz NXAMUALAKSDFOR-IUODEOHRSA-N 1 0 382.302 2.693 20 0 GFADRO CS(=O)(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(F)ccc1Br ZINC000331207396 563540574 /nfs/dbraw/zinc/54/05/74/563540574.db2.gz YUHMVIJKZICYIF-ZIAGYGMSSA-N 1 0 379.295 2.538 20 0 GFADRO C[C@@H](O)C[N@@H+]1CCN(C(=O)Nc2cc3c(cc2Br)CCC3)[C@@H](C)C1 ZINC000408049335 563542473 /nfs/dbraw/zinc/54/24/73/563542473.db2.gz YDJJSHROWKXHQA-QWHCGFSZSA-N 1 0 396.329 2.857 20 0 GFADRO C[C@H](O)C[N@@H+]1CCN(C(=O)Nc2cc3c(cc2Br)CCC3)[C@H](C)C1 ZINC000408049334 563542787 /nfs/dbraw/zinc/54/27/87/563542787.db2.gz YDJJSHROWKXHQA-OLZOCXBDSA-N 1 0 396.329 2.857 20 0 GFADRO COCC[C@]1(C(=O)Nc2ccc3cccc(Br)c3n2)CC[NH2+]C1 ZINC000430424399 563543016 /nfs/dbraw/zinc/54/30/16/563543016.db2.gz MBZZWNRVQKUXHA-QGZVFWFLSA-N 1 0 378.270 2.952 20 0 GFADRO Cc1c(C(=O)N2C[C@H](C)N(C)C[C@@H]2C)nnn1-c1cccc(Br)c1 ZINC000408073445 563543325 /nfs/dbraw/zinc/54/33/25/563543325.db2.gz UAXHYYXQWVQPID-RYUDHWBXSA-N 1 0 392.301 2.503 20 0 GFADRO O=C(COC1C[NH2+]C1)N[C@H](c1cccc(F)c1)c1cccc(Br)c1 ZINC000430467899 563543808 /nfs/dbraw/zinc/54/38/08/563543808.db2.gz ZTEZTFDGGMUNAK-SFHVURJKSA-N 1 0 393.256 2.782 20 0 GFADRO CCc1n[nH]c(C(=O)N[C@H](C[NH+](C)C)c2ccc(OC)cc2)c1Br ZINC000285965648 563543924 /nfs/dbraw/zinc/54/39/24/563543924.db2.gz GZWMOGIMOOKACE-CQSZACIVSA-N 1 0 395.301 2.776 20 0 GFADRO CC[NH+](CC)C[C@H]1CCN(C(=O)c2cn3ccc(Br)cc3n2)C1 ZINC000286045786 563546417 /nfs/dbraw/zinc/54/64/17/563546417.db2.gz KTKTZBJYXKHUBN-CYBMUJFWSA-N 1 0 379.302 2.901 20 0 GFADRO CC[C@H](C[C@H](C)CO)[NH2+][C@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430719056 563548445 /nfs/dbraw/zinc/54/84/45/563548445.db2.gz DHDUPYZSTUYGSI-DMDPSCGWSA-N 1 0 393.347 2.544 20 0 GFADRO CCOCCOc1ccc(Br)cc1C[N@@H+]1CC[C@](C)(C(=O)NC)C1 ZINC000430773053 563548769 /nfs/dbraw/zinc/54/87/69/563548769.db2.gz PRDTUJPBBAUJGZ-SFHVURJKSA-N 1 0 399.329 2.822 20 0 GFADRO C[NH2+]CC1CCN(CC(=O)Nc2c(F)cc(F)cc2Br)CC1 ZINC000430920444 563550103 /nfs/dbraw/zinc/55/01/03/563550103.db2.gz OUSKNHYBYXBMIO-UHFFFAOYSA-N 1 0 376.245 2.597 20 0 GFADRO CN(Cc1cc(Br)cs1)C(=O)C[NH2+][C@H]1CCC[C@H]1CCO ZINC000286185897 563551907 /nfs/dbraw/zinc/55/19/07/563551907.db2.gz PMMJQNONXBRXDK-FZMZJTMJSA-N 1 0 375.332 2.610 20 0 GFADRO C[C@H]1C[C@H](NC(=O)c2cc(=O)[nH]c3c(Br)cccc23)CC[N@@H+]1C ZINC000408368439 563552300 /nfs/dbraw/zinc/55/23/00/563552300.db2.gz ICEHYAOVTNZDOH-WDEREUQCSA-N 1 0 378.270 2.915 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)c2cc(=O)[nH]c3c(Br)cccc23)CC[N@@H+]1C ZINC000408368436 563552549 /nfs/dbraw/zinc/55/25/49/563552549.db2.gz ICEHYAOVTNZDOH-GHMZBOCLSA-N 1 0 378.270 2.915 20 0 GFADRO Cc1cc(C[NH2+][C@@H]2CCC(=O)N[C@H]2c2cnn(C)c2)sc1Br ZINC000331601718 563554147 /nfs/dbraw/zinc/55/41/47/563554147.db2.gz LOUVSYVCMFNVAI-OCCSQVGLSA-N 1 0 383.315 2.662 20 0 GFADRO O=C1[C@H](N2CC[C@H](C(F)(F)F)[C@@H](CO)C2)CCN1c1cccc(Cl)c1 ZINC000286314671 563555962 /nfs/dbraw/zinc/55/59/62/563555962.db2.gz DCBCZFLCZSBPQC-BYCMXARLSA-N 1 0 376.806 2.938 20 0 GFADRO C[C@@H]1CN(C(=O)[C@H]2CCCN(C(=O)c3ccc(Cl)c(Cl)c3)C2)C[C@@H]1[NH3+] ZINC000331727283 563559308 /nfs/dbraw/zinc/55/93/08/563559308.db2.gz NDLJKTNXTNMDQR-FFSVYQOJSA-N 1 0 384.307 2.651 20 0 GFADRO C[C@H](Sc1ccc(Br)cc1)C(=O)NC[C@](C)(O)CC[NH+](C)C ZINC000431376039 563559361 /nfs/dbraw/zinc/55/93/61/563559361.db2.gz DDEFQXXTMCJFED-BLLLJJGKSA-N 1 0 389.359 2.749 20 0 GFADRO C[C@@H](NC(=O)C(=O)N(C)CCC[NH+]1CCCC1)c1ccc(Br)cc1 ZINC000286418428 563559569 /nfs/dbraw/zinc/55/95/69/563559569.db2.gz GASSAPBHNKLYNC-CQSZACIVSA-N 1 0 396.329 2.571 20 0 GFADRO Cc1cc(I)ccc1NC(=O)NCC[N@H+]1CC=CCC1 ZINC000431429505 563560349 /nfs/dbraw/zinc/56/03/49/563560349.db2.gz ZCCSNPCCMFAJFQ-UHFFFAOYSA-N 1 0 385.249 2.983 20 0 GFADRO COC(=O)[C@@]1(C(F)(F)F)CC[N@H+](C[C@@H](O)COc2ccc(Cl)cc2)C1 ZINC000286486281 563562291 /nfs/dbraw/zinc/56/22/91/563562291.db2.gz LPBKGWFZZGTVAX-IUODEOHRSA-N 1 0 381.778 2.507 20 0 GFADRO COc1cc(/C=C/C(=O)N2CC[C@H]3CC[N@H+](C)C[C@@H]32)cc(Br)c1O ZINC000286563021 563565197 /nfs/dbraw/zinc/56/51/97/563565197.db2.gz XVQXURWCSORNJD-LNMOPNHASA-N 1 0 395.297 2.729 20 0 GFADRO Cc1nn(-c2ccc(C(=O)N3CC[C@H]([NH3+])[C@@H]3C)cc2)c(C)c1Br ZINC000331877701 563565733 /nfs/dbraw/zinc/56/57/33/563565733.db2.gz FTFJHQUWQRUKGD-NHYWBVRUSA-N 1 0 377.286 2.813 20 0 GFADRO Cc1ncc(Br)cc1NC(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000331912152 563567042 /nfs/dbraw/zinc/56/70/42/563567042.db2.gz IFYVNRCOJBIAAI-HZPDHXFCSA-N 1 0 397.317 2.652 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c(Br)c1 ZINC000431717632 563567313 /nfs/dbraw/zinc/56/73/13/563567313.db2.gz FYHUHPJYIHJEJN-CHWSQXEVSA-N 1 0 394.313 2.746 20 0 GFADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3cn4ccc(Br)cc4n3)CC[C@@H]21 ZINC000286651109 563569073 /nfs/dbraw/zinc/56/90/73/563569073.db2.gz CKHHAJSCEWRNQG-DOMZBBRYSA-N 1 0 377.286 2.653 20 0 GFADRO Cc1c([C@H]2[C@H]([NH2+]Cc3ccc(Br)c(F)c3)CC(=O)N2C)cnn1C ZINC000331988402 563570394 /nfs/dbraw/zinc/57/03/94/563570394.db2.gz LJLBCOOTDAKECO-WBVHZDCISA-N 1 0 395.276 2.692 20 0 GFADRO O=C(CC[N@@H+]1CC[C@@H](C(=O)N2CCCC2)C1)Nc1ccccc1Br ZINC000286712420 563571563 /nfs/dbraw/zinc/57/15/63/563571563.db2.gz APNDJKHKSRTYJB-CQSZACIVSA-N 1 0 394.313 2.722 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)NCC[N@@H+](C)C2CCCC2)c(Br)c1 ZINC000431954243 563572415 /nfs/dbraw/zinc/57/24/15/563572415.db2.gz XNQGLAIEHJQKEN-UHFFFAOYSA-N 1 0 396.329 2.995 20 0 GFADRO C[C@H](NC(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1)c1ncc(Br)cn1 ZINC000431986201 563572588 /nfs/dbraw/zinc/57/25/88/563572588.db2.gz KQKPOFNBFWWXPY-SWLSCSKDSA-N 1 0 396.333 2.864 20 0 GFADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2cnc3ccc(Br)cc3c2O)C1 ZINC000332051062 563573794 /nfs/dbraw/zinc/57/37/94/563573794.db2.gz ZHYVIDGYAVRURA-LBPRGKRZSA-N 1 0 392.297 2.704 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)N1CC[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000332069157 563574486 /nfs/dbraw/zinc/57/44/86/563574486.db2.gz UANZALAEGNFVRS-UKRRQHHQSA-N 1 0 394.313 2.557 20 0 GFADRO O=C(CCCOc1ccc(Cl)cc1Cl)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000286782645 563574886 /nfs/dbraw/zinc/57/48/86/563574886.db2.gz OWJOFAQVEVTEGX-HNNXBMFYSA-N 1 0 386.323 2.659 20 0 GFADRO O=S(=O)(c1cccs1)N1CCC[C@@H]([NH2+][C@H]2CCO[C@@H](C(F)(F)F)C2)C1 ZINC000286864999 563578204 /nfs/dbraw/zinc/57/82/04/563578204.db2.gz BKBMWXAOVFAFDE-YNEHKIRRSA-N 1 0 398.472 2.601 20 0 GFADRO C[C@H]1C[N@H+](CCCNS(=O)(=O)c2cccc(Cl)c2Cl)CCCO1 ZINC000432310128 563580587 /nfs/dbraw/zinc/58/05/87/563580587.db2.gz FVXRIWIYCMDCRN-LBPRGKRZSA-N 1 0 381.325 2.773 20 0 GFADRO CCS(=O)(=O)N(C)CCC[NH2+]C1CC(c2cccc(Br)c2)C1 ZINC000432417387 563584376 /nfs/dbraw/zinc/58/43/76/563584376.db2.gz VJYHDFKYKJALBZ-UHFFFAOYSA-N 1 0 389.359 2.956 20 0 GFADRO COC(=O)c1cccc(NC(=O)N2CC[C@@H]3CC[N@H+](C)C[C@H]32)c1Br ZINC000332229545 563585792 /nfs/dbraw/zinc/58/57/92/563585792.db2.gz DAJXRZSQBAGWAN-SMDDNHRTSA-N 1 0 396.285 2.794 20 0 GFADRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)c1c(O)cnc2c(Br)cccc21 ZINC000332234305 563585886 /nfs/dbraw/zinc/58/58/86/563585886.db2.gz RQVFRKDYPYLPNA-GHMZBOCLSA-N 1 0 378.270 2.868 20 0 GFADRO C[NH+](C)[C@@H]1CCCN(C(=O)c2c(O)cnc3c(Br)cccc32)C1 ZINC000332235702 563586211 /nfs/dbraw/zinc/58/62/11/563586211.db2.gz SFPYEVOULZJSEN-LLVKDONJSA-N 1 0 378.270 2.869 20 0 GFADRO O=S(=O)(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc(OC(F)F)c(Cl)c1 ZINC000332270805 563589052 /nfs/dbraw/zinc/58/90/52/563589052.db2.gz GEBHEOVIJUNCDB-STQMWFEESA-N 1 0 380.844 2.847 20 0 GFADRO CN(Cc1cc(Br)cs1)C(=O)C[NH2+][C@H]1CCC[C@]1(C)CO ZINC000332276416 563589420 /nfs/dbraw/zinc/58/94/20/563589420.db2.gz DIQHKJAQMOBGRT-DZGCQCFKSA-N 1 0 375.332 2.610 20 0 GFADRO NC(=O)[C@H]([NH2+][C@H]1CCO[C@@H](C(F)(F)F)C1)c1cccc(Br)c1 ZINC000287142631 563589543 /nfs/dbraw/zinc/58/95/43/563589543.db2.gz SIHYMTONVURZIF-QJPTWQEYSA-N 1 0 381.192 2.675 20 0 GFADRO O=S1(=O)CC[C@H]([NH2+]C[C@@H]2CCCC[C@H]2O)c2cc(Br)ccc21 ZINC000332311650 563592159 /nfs/dbraw/zinc/59/21/59/563592159.db2.gz GVMHUMZOUSJBBE-TUKIKUTGSA-N 1 0 388.327 2.808 20 0 GFADRO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CCC1(O)CCOCC1 ZINC000287301137 563595512 /nfs/dbraw/zinc/59/55/12/563595512.db2.gz DPZGONKBTJLECU-CYBMUJFWSA-N 1 0 385.302 2.687 20 0 GFADRO CCn1cc(Br)cc1C(=O)N1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000332412082 563597567 /nfs/dbraw/zinc/59/75/67/563597567.db2.gz IIFZLHYTWAXLSD-GDBMZVCRSA-N 1 0 384.318 2.629 20 0 GFADRO CN(Cc1c(Cl)cccc1Cl)C(=O)C(=O)N1CC[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000410974082 563600844 /nfs/dbraw/zinc/60/08/44/563600844.db2.gz ISWFXBMJTLWMIA-BLLLJJGKSA-N 1 0 384.307 2.504 20 0 GFADRO CC(C)[C@H](C[NH3+])C(=O)N1CCC(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000433113252 563603339 /nfs/dbraw/zinc/60/33/39/563603339.db2.gz BWYCGQUUBAVLSW-INIZCTEOSA-N 1 0 396.329 2.857 20 0 GFADRO Cc1ncc(Br)cc1NC(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000332548583 563604212 /nfs/dbraw/zinc/60/42/12/563604212.db2.gz OKJNMXYXBDZSCL-UHFFFAOYSA-N 1 0 397.317 2.729 20 0 GFADRO C[C@H](C(=O)Nc1ccc(Br)cc1)[N@@H+]1CC[C@@H](C(=O)N2CCCC2)C1 ZINC000287508401 563604338 /nfs/dbraw/zinc/60/43/38/563604338.db2.gz UJFVZLDLSVELMP-ZIAGYGMSSA-N 1 0 394.313 2.720 20 0 GFADRO CC(C)[C@@H](C[NH3+])C(=O)N[C@H](C)c1nc(-c2ccc(Br)cc2)no1 ZINC000433151091 563604642 /nfs/dbraw/zinc/60/46/42/563604642.db2.gz HJISWBTVJPRNPX-ZWNOBZJWSA-N 1 0 381.274 2.907 20 0 GFADRO CC(C)[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000332577322 563604878 /nfs/dbraw/zinc/60/48/78/563604878.db2.gz ZLDLYXPSYRKEJQ-CZUORRHYSA-N 1 0 385.961 2.956 20 0 GFADRO C[C@@H]1C[C@H](C)N(C(=O)Cc2cc3c(cc2Br)OCCO3)C[C@@H]1C[NH3+] ZINC000332567077 563604946 /nfs/dbraw/zinc/60/49/46/563604946.db2.gz AACMZJOEDSCYSU-DYEKYZERSA-N 1 0 397.313 2.595 20 0 GFADRO C[C@@H]([NH3+])C1CCN(C(=O)Nc2ccc3nccnc3c2Br)CC1 ZINC000332578589 563605190 /nfs/dbraw/zinc/60/51/90/563605190.db2.gz DUDRAAZQTXMNOL-SNVBAGLBSA-N 1 0 378.274 2.983 20 0 GFADRO C[C@H]1c2cc(Cl)cc(Cl)c2CCN1C(=O)C(=O)N1CCC(C[NH3+])CC1 ZINC000332579741 563605650 /nfs/dbraw/zinc/60/56/50/563605650.db2.gz FKMVUYWJQJCIHO-NSHDSACASA-N 1 0 384.307 2.636 20 0 GFADRO C[NH+]1CCC(O)(CNC(=O)Nc2nc3c(cccc3Br)s2)CC1 ZINC000287527773 563606043 /nfs/dbraw/zinc/60/60/43/563606043.db2.gz VVSWIZSAWOJXKD-UHFFFAOYSA-N 1 0 399.314 2.637 20 0 GFADRO C[N@@H+]1CCN(C(=O)CCNC(=O)Nc2ccc(Br)cc2)C(C)(C)C1 ZINC000332610166 563607427 /nfs/dbraw/zinc/60/74/27/563607427.db2.gz OTWNIBMKMKJJQR-UHFFFAOYSA-N 1 0 397.317 2.513 20 0 GFADRO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1ccc(F)c(Br)c1 ZINC000332626649 563608192 /nfs/dbraw/zinc/60/81/92/563608192.db2.gz VOUJBLXPRZOPRH-QWHCGFSZSA-N 1 0 398.276 2.612 20 0 GFADRO O=C1[C@H]([N@@H+]2CC[C@H]([C@@H]3CCOC3)C2)CCN1c1cccc(Br)c1 ZINC000433272714 563608468 /nfs/dbraw/zinc/60/84/68/563608468.db2.gz IKVVJUWFQJMMPX-JJRVBVJISA-N 1 0 379.298 2.913 20 0 GFADRO Cc1cc(NC(=O)C[N@@H+]2CC[C@@H](Cc3ccc(Br)cc3)C2)n(C)n1 ZINC000433311775 563609395 /nfs/dbraw/zinc/60/93/95/563609395.db2.gz NMSCCQDDGDJHFO-HNNXBMFYSA-N 1 0 391.313 2.994 20 0 GFADRO C[C@H]1C[N@H+](CCCNC(=O)NCc2cccc(Br)c2)CCCO1 ZINC000433332022 563610264 /nfs/dbraw/zinc/61/02/64/563610264.db2.gz RFBHXYBVVULOJJ-AWEZNQCLSA-N 1 0 384.318 2.749 20 0 GFADRO O=C([C@H]1CC[N@@H+](Cc2cc3c(cc2Br)OCO3)C1)N1CCCC1 ZINC000287617266 563610476 /nfs/dbraw/zinc/61/04/76/563610476.db2.gz ZOLKKRAAAKSGGG-LBPRGKRZSA-N 1 0 381.270 2.622 20 0 GFADRO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1cc(N(C)C)c(Br)cn1 ZINC000332678515 563611040 /nfs/dbraw/zinc/61/10/40/563611040.db2.gz OMTVNWPZMNISJV-VXGBXAGGSA-N 1 0 382.306 2.611 20 0 GFADRO Cc1cc(NC(=O)C(=O)NCC(C)(C)C[NH+](C)C)cc(F)c1Br ZINC000411240840 563611212 /nfs/dbraw/zinc/61/12/12/563611212.db2.gz ILPRYDQNARTHDM-UHFFFAOYSA-N 1 0 388.281 2.539 20 0 GFADRO O=C(NC1(c2c(Cl)cccc2Cl)CC1)c1ncn([C@H]2CCC[NH2+]C2)n1 ZINC000433373087 563611646 /nfs/dbraw/zinc/61/16/46/563611646.db2.gz FZCXSYCHLQRIQC-NSHDSACASA-N 1 0 380.279 2.929 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)N[C@@H]2CCN(c3cccc(Br)c3)C2)C1 ZINC000332690541 563611787 /nfs/dbraw/zinc/61/17/87/563611787.db2.gz QTHUCPLVIQPWOE-SQWLQELKSA-N 1 0 395.345 2.797 20 0 GFADRO CN(CCCn1ccnc1)S(=O)(=O)c1c(F)cccc1OC(F)(F)F ZINC000287651069 563611906 /nfs/dbraw/zinc/61/19/06/563611906.db2.gz CHSFUTZYHSJNOK-UHFFFAOYSA-N 1 0 381.351 2.632 20 0 GFADRO C[C@H]1C[C@H](NS(=O)(=O)c2cc(Br)sc2Cl)CC[N@@H+]1C ZINC000433659123 563617580 /nfs/dbraw/zinc/61/75/80/563617580.db2.gz JJHQJTSRHRHFJM-JGVFFNPUSA-N 1 0 387.752 2.925 20 0 GFADRO CSc1ccc(OC[C@H](O)C[N@@H+]2CCCC[C@@H]2[C@H](O)C(F)(F)F)cc1 ZINC000411412510 563618879 /nfs/dbraw/zinc/61/88/79/563618879.db2.gz FBXAZBSZYBDXAY-WQVCFCJDSA-N 1 0 379.444 2.926 20 0 GFADRO O=C(NCC[NH2+][C@@H]1CCO[C@@H](C(F)(F)F)C1)c1ccc(Br)cc1 ZINC000287817775 563619378 /nfs/dbraw/zinc/61/93/78/563619378.db2.gz VASWFFNJRRTZAN-CHWSQXEVSA-N 1 0 395.219 2.878 20 0 GFADRO O=C(CCN1CCOC[C@H]1[C@@H]1CCCO1)Nc1ccccc1Br ZINC000333128455 563621428 /nfs/dbraw/zinc/62/14/28/563621428.db2.gz JGLMKZRGQWMQCP-HOTGVXAUSA-N 1 0 383.286 2.658 20 0 GFADRO Cc1cccc(Cl)c1S(=O)(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000333145667 563622063 /nfs/dbraw/zinc/62/20/63/563622063.db2.gz KBPLXVHWFCHQKE-IRXDYDNUSA-N 1 0 386.945 2.695 20 0 GFADRO C[C@@H](c1cccc(S(N)(=O)=O)c1)[N@H+](C)C[C@@H](O)Cc1cccc(Cl)c1 ZINC000287906029 563622675 /nfs/dbraw/zinc/62/26/75/563622675.db2.gz VEMMNNHXMXQYEQ-GUYCJALGSA-N 1 0 382.913 2.584 20 0 GFADRO Cc1cc(Br)c(NC(=O)C(=O)NC[C@H](C)C[NH+](C)C)cc1Cl ZINC000411553297 563622965 /nfs/dbraw/zinc/62/29/65/563622965.db2.gz QYWNJVWISJQOIL-VIFPVBQESA-N 1 0 390.709 2.663 20 0 GFADRO CS[C@@H]1CN(c2ccc(S(=O)(=O)C(C)(C)C)nc2)C[C@H]1[NH+]1CCCC1 ZINC000333205686 563623894 /nfs/dbraw/zinc/62/38/94/563623894.db2.gz ONAYBZVDVLKAHP-HZPDHXFCSA-N 1 0 383.583 2.670 20 0 GFADRO CN(Cc1cc(Br)cn1C)C(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000433951661 563624162 /nfs/dbraw/zinc/62/41/62/563624162.db2.gz UVACZQIOKVUBEX-OAHLLOKOSA-N 1 0 383.334 2.946 20 0 GFADRO [NH3+][C@@H]1CN(S(=O)(=O)C[C@H]2CCCCC2(F)F)C[C@H]1c1ccccc1F ZINC000333192718 563624186 /nfs/dbraw/zinc/62/41/86/563624186.db2.gz AGCRUKKWONXHCX-IVMMDQJWSA-N 1 0 376.444 2.708 20 0 GFADRO CC[C@@H]([NH2+]C[C@@H](O)Cc1cccc(Cl)c1)c1cccc(S(N)(=O)=O)c1 ZINC000287964395 563624410 /nfs/dbraw/zinc/62/44/10/563624410.db2.gz YYPIIBXKYGNDSA-FUHWJXTLSA-N 1 0 382.913 2.632 20 0 GFADRO [NH3+][C@H]1CCCO[C@@H]1C1CCN(C(=O)Cc2ccc(Br)s2)CC1 ZINC000333281282 563626713 /nfs/dbraw/zinc/62/67/13/563626713.db2.gz MNQUZZFPWZHZFC-XJKSGUPXSA-N 1 0 387.343 2.798 20 0 GFADRO C[C@@H](NC(=O)C(=O)N[C@@H](C)c1cccc(Cl)c1Cl)C1=CC[N@H+](C)CC1 ZINC000288066694 563627388 /nfs/dbraw/zinc/62/73/88/563627388.db2.gz GKFAOXOBXQUQCY-NEPJUHHUSA-N 1 0 384.307 2.937 20 0 GFADRO [NH3+][C@@H]1CCO[C@@H](C2CCN(C(=O)c3cc(Br)ccc3O)CC2)C1 ZINC000333336286 563628653 /nfs/dbraw/zinc/62/86/53/563628653.db2.gz XDQJFSLUNVLQMX-CZUORRHYSA-N 1 0 383.286 2.513 20 0 GFADRO [NH3+][C@H]1CCO[C@@H](C2CCN(C(=O)c3cc(Br)ccc3O)CC2)C1 ZINC000333336287 563628869 /nfs/dbraw/zinc/62/88/69/563628869.db2.gz XDQJFSLUNVLQMX-XJKSGUPXSA-N 1 0 383.286 2.513 20 0 GFADRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)Nc3nnc(-c4c(F)cccc4Cl)s3)C[C@H]12 ZINC000333366521 563629541 /nfs/dbraw/zinc/62/95/41/563629541.db2.gz UKQVBDYICGYWDX-VDDIYKPWSA-N 1 0 381.864 3.199 20 0 GFADRO COc1cc(OC)c(NC(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1Br ZINC000333411143 563631260 /nfs/dbraw/zinc/63/12/60/563631260.db2.gz ZXVYHINMOUBIQT-MNOVXSKESA-N 1 0 384.274 2.540 20 0 GFADRO O=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)C(=O)Nc1cc(F)ccc1Br ZINC000434557979 563632121 /nfs/dbraw/zinc/63/21/21/563632121.db2.gz TVUOXICEBXVUSD-ZDUSSCGKSA-N 1 0 398.276 2.660 20 0 GFADRO CC1(C)Cc2c(cccc2Br)[C@@H]1[NH2+]CC(=O)NC[C@@H]1CCCO1 ZINC000411754290 563632755 /nfs/dbraw/zinc/63/27/55/563632755.db2.gz DVHNGQMLUXMAPZ-SJCJKPOMSA-N 1 0 381.314 2.957 20 0 GFADRO C[C@H]([NH2+][C@H]1CCCCNC1=O)c1ccc(Br)cc1OCCCO ZINC000411747227 563632952 /nfs/dbraw/zinc/63/29/52/563632952.db2.gz VPUBVUSBHUQWHJ-WFASDCNBSA-N 1 0 385.302 2.530 20 0 GFADRO O=C(NC[C@@H]1C[NH2+]CCO1)N1c2ccc(Br)cc2[C@@H]2CCCC[C@@H]21 ZINC000333485636 563634069 /nfs/dbraw/zinc/63/40/69/563634069.db2.gz GBWOJYKFZAZIFF-DZKIICNBSA-N 1 0 394.313 2.993 20 0 GFADRO CC1(c2cccc(Br)c2)CCN(C(=O)NC[C@@H]2C[NH2+]CCO2)CC1 ZINC000333484733 563634103 /nfs/dbraw/zinc/63/41/03/563634103.db2.gz FZKVACWIRKBNTN-INIZCTEOSA-N 1 0 396.329 2.501 20 0 GFADRO CC1CC[NH+](C2CCC(NC(=O)c3c(Br)cnn3C)CC2)CC1 ZINC000333520192 563634523 /nfs/dbraw/zinc/63/45/23/563634523.db2.gz GSZKFZWGRCCWID-UHFFFAOYSA-N 1 0 383.334 2.956 20 0 GFADRO O=C(c1ccc(Br)s1)N1CCC(n2ncc3c2C[NH2+]C3)CC1 ZINC000333551946 563635128 /nfs/dbraw/zinc/63/51/28/563635128.db2.gz JOURFMVLDTVINU-UHFFFAOYSA-N 1 0 381.299 2.788 20 0 GFADRO C[C@@H]1CN(CC[N@H+](C)C[C@H](O)COc2cc(Cl)ccc2Cl)C[C@H](C)O1 ZINC000434700707 563635322 /nfs/dbraw/zinc/63/53/22/563635322.db2.gz WDZJBAOGBMNGNQ-LZWOXQAQSA-N 1 0 391.339 2.774 20 0 GFADRO Cc1cc(C2CCN(C(=O)NC[C@@H]3C[NH2+]CCO3)CC2)ccc1Br ZINC000333595392 563636520 /nfs/dbraw/zinc/63/65/20/563636520.db2.gz VRVJAIYNWMTSQM-INIZCTEOSA-N 1 0 396.329 2.635 20 0 GFADRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)NCc3cc4cc(Br)ccc4[nH]3)C[C@H]12 ZINC000333615355 563637324 /nfs/dbraw/zinc/63/73/24/563637324.db2.gz RBGAICUAQUYFAB-WKPIXPDZSA-N 1 0 377.286 2.809 20 0 GFADRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)N[C@H]3CCc4c3ccc(F)c4Br)C[C@H]12 ZINC000333646784 563637728 /nfs/dbraw/zinc/63/77/28/563637728.db2.gz VEGKFBZOHQDJTQ-PWFWHMEDSA-N 1 0 382.277 2.954 20 0 GFADRO C[C@H](NC(=O)N1CCC([C@H]2CC[NH2+]C2)CC1)c1ccc(Br)cn1 ZINC000333647529 563637989 /nfs/dbraw/zinc/63/79/89/563637989.db2.gz VGWCOQPCXCARLY-JSGCOSHPSA-N 1 0 381.318 2.936 20 0 GFADRO COc1ccc(Br)cc1[C@@H]1CCCN1C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000333758343 563641331 /nfs/dbraw/zinc/64/13/31/563641331.db2.gz ADTSLNQHCUSNIU-KNCOVGOOSA-N 1 0 380.286 2.522 20 0 GFADRO O=C(N[C@@H]1CCC[NH2+]C1)N1CCC(Nc2cccc(Br)c2)CC1 ZINC000333760093 563641337 /nfs/dbraw/zinc/64/13/37/563641337.db2.gz AHOXZDOMCYEFCW-MRXNPFEDSA-N 1 0 381.318 2.787 20 0 GFADRO O=C(C[NH2+][C@@H](CO)[C@H]1CCCOC1)Nc1ccc(Cl)cc1C(F)(F)F ZINC000411991456 563643340 /nfs/dbraw/zinc/64/33/40/563643340.db2.gz JELUHNMWTDVNLJ-HZMBPMFUSA-N 1 0 380.794 2.674 20 0 GFADRO OC[C@@H]([NH2+]Cc1ncc(-c2ccccc2Br)o1)[C@@H]1CCCOC1 ZINC000412000818 563643868 /nfs/dbraw/zinc/64/38/68/563643868.db2.gz ZLOIRNJVWNSXRI-IUODEOHRSA-N 1 0 381.270 2.981 20 0 GFADRO O=C(N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)N[C@@H]1CCCC[NH2+]C1 ZINC000333853828 563643849 /nfs/dbraw/zinc/64/38/49/563643849.db2.gz XVLAOPVXMOMKLB-IAQYHMDHSA-N 1 0 385.295 2.540 20 0 GFADRO CN(Cc1c(F)cccc1Cl)S(=O)(=O)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000333851748 563643864 /nfs/dbraw/zinc/64/38/64/563643864.db2.gz NSEZKVGSIIMQFM-CXAGYDPISA-N 1 0 389.924 2.620 20 0 GFADRO Cc1c(C(=O)N(C2CC2)[C@H]2CC[NH2+]C2)cnn1-c1ccc(Br)cc1 ZINC000435232740 563645879 /nfs/dbraw/zinc/64/58/79/563645879.db2.gz OKROOJBJYXRHRF-INIZCTEOSA-N 1 0 389.297 2.910 20 0 GFADRO COc1ccc([C@H](C)NC(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1Br ZINC000333926234 563646188 /nfs/dbraw/zinc/64/61/88/563646188.db2.gz VGRCZDOYTBAYAQ-YUTCNCBUSA-N 1 0 382.302 2.770 20 0 GFADRO Cc1c(S(=O)(=O)N2CCC[C@H]2C[NH+](C)C)cnn1-c1ccc(Cl)cc1 ZINC000435228286 563646253 /nfs/dbraw/zinc/64/62/53/563646253.db2.gz YOWVKCUZANJZLC-INIZCTEOSA-N 1 0 382.917 2.549 20 0 GFADRO C[C@]1(CNC(=O)N[C@@H]2CCOc3ccc(Br)cc32)CCC[NH2+]C1 ZINC000333943881 563646537 /nfs/dbraw/zinc/64/65/37/563646537.db2.gz RLPSWSKYNPPZSQ-PBHICJAKSA-N 1 0 382.302 2.962 20 0 GFADRO COC(=O)[C@@]1(C)CCC[N@H+](CC(=O)N(C)Cc2ccccc2Br)C1 ZINC000412099926 563648791 /nfs/dbraw/zinc/64/87/91/563648791.db2.gz HYNUHMWQOYSBIL-SFHVURJKSA-N 1 0 397.313 2.683 20 0 GFADRO Cn1ccnc1CN(Cc1cncc(Br)c1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435423526 563649601 /nfs/dbraw/zinc/64/96/01/563649601.db2.gz URGWRDDBUNSCSX-MRXNPFEDSA-N 1 0 390.329 2.722 20 0 GFADRO Cc1c(Br)cc(C(=O)N[C@H](C)C[NH+]2C[C@@H](C)C[C@H](C)C2)c(=O)n1C ZINC000334051483 563651228 /nfs/dbraw/zinc/65/12/28/563651228.db2.gz QFDVTPYAPVLXIE-RWMBFGLXSA-N 1 0 398.345 2.552 20 0 GFADRO CC[NH+](CC)[C@@H](C)CNC(=O)[C@@H]1CC(=O)Nc2ccc(Br)cc21 ZINC000435456225 563652019 /nfs/dbraw/zinc/65/20/19/563652019.db2.gz FONDBDOWSPDKTI-SMDDNHRTSA-N 1 0 382.302 2.721 20 0 GFADRO Cc1ncsc1CN(C[C@@H]1CC[NH2+]C1)C(=O)c1cc2c(s1)CCOC2 ZINC000435602572 563654168 /nfs/dbraw/zinc/65/41/68/563654168.db2.gz WCZTYHAWWSQVAW-CYBMUJFWSA-N 1 0 377.535 2.838 20 0 GFADRO CNc1cc(I)ccc1C(=O)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000412366632 563655313 /nfs/dbraw/zinc/65/53/13/563655313.db2.gz SFKUCUYSVFFQAZ-INIZCTEOSA-N 1 0 399.276 2.501 20 0 GFADRO C[C@@H](C[NH+]1CCCCC1)NC(=O)[C@H]1CC(=O)Nc2ccc(Br)cc21 ZINC000435671232 563656110 /nfs/dbraw/zinc/65/61/10/563656110.db2.gz JERYQKHATKYZIS-WFASDCNBSA-N 1 0 394.313 2.866 20 0 GFADRO [NH3+][C@H]1CCc2nc(NC(=O)COc3ccc(Br)cc3)sc2C1 ZINC000288812189 563658340 /nfs/dbraw/zinc/65/83/40/563658340.db2.gz SQBBGLXRAUTVLZ-JTQLQIEISA-N 1 0 382.283 2.739 20 0 GFADRO CC(C)[N@@H+]1CCO[C@H](C(=O)NCc2cccc(Br)c2Cl)C1 ZINC000412489203 563659491 /nfs/dbraw/zinc/65/94/91/563659491.db2.gz MXBNQMWXXSUYLW-ZDUSSCGKSA-N 1 0 375.694 2.828 20 0 GFADRO OC[C@H]([NH2+]Cc1ccc(I)c(Cl)c1)[C@H]1CCCO1 ZINC000436114933 563664981 /nfs/dbraw/zinc/66/49/81/563664981.db2.gz MNLBYDHIIYYOOL-QWHCGFSZSA-N 1 0 381.641 2.574 20 0 GFADRO C[C@@H](Oc1ccc(F)cc1Br)C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000289147051 563669860 /nfs/dbraw/zinc/66/98/60/563669860.db2.gz GAYWDCNIZVAJMO-PXAZEXFGSA-N 1 0 385.277 2.958 20 0 GFADRO CSC1(C[NH+]2CCN(CC(=O)Nc3ccc(Br)cc3)CC2)CC1 ZINC000289195355 563671763 /nfs/dbraw/zinc/67/17/63/563671763.db2.gz HEOIKHLOHGBQMJ-UHFFFAOYSA-N 1 0 398.370 2.901 20 0 GFADRO O=C([N-]C[C@H]1CCC[N@@H+](C[C@H](O)c2ccc(F)cc2Cl)C1)C(F)(F)F ZINC000289454546 563674339 /nfs/dbraw/zinc/67/43/39/563674339.db2.gz LJBYYJNBJGEAIG-YGRLFVJLSA-N 1 0 382.785 2.903 20 0 GFADRO O=c1nc([C@@H]2CCC[N@@H+](Cc3cc(Br)cc4cccnc43)C2)[nH][nH]1 ZINC000289504479 563676564 /nfs/dbraw/zinc/67/65/64/563676564.db2.gz UKWKAFBPUGSXJY-GFCCVEGCSA-N 1 0 388.269 2.788 20 0 GFADRO C[C@H]([NH2+]Cc1ccc(N2CCOCC2)nc1)c1ccc(Br)nc1 ZINC000289570604 563679198 /nfs/dbraw/zinc/67/91/98/563679198.db2.gz DIKAIVFEKLRTFV-ZDUSSCGKSA-N 1 0 377.286 2.927 20 0 GFADRO O=C([C@H]1COc2ccc(Br)cc21)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000289666275 563682833 /nfs/dbraw/zinc/68/28/33/563682833.db2.gz ACCAHAFOPJBDLA-CJNGLKHVSA-N 1 0 379.298 2.773 20 0 GFADRO COc1cc2[nH+]ccc(NCCn3cc(Br)cn3)c2cc1OC ZINC000413287499 563688282 /nfs/dbraw/zinc/68/82/82/563688282.db2.gz BGBLIIOFXMKQCE-UHFFFAOYSA-N 1 0 377.242 2.745 20 0 GFADRO Cc1ccc(C[N@@H+]2CCC[C@@H]2C[C@]2(C)NC(=O)NC2=O)cc1Br ZINC000289857930 563689333 /nfs/dbraw/zinc/68/93/33/563689333.db2.gz VIMFSOSZLGBQQV-DYVFJYSZSA-N 1 0 380.286 2.710 20 0 GFADRO C[C@H]1C[N@H+](CCCNCc2nc3ccccn3c2Br)CCCO1 ZINC000289887876 563690079 /nfs/dbraw/zinc/69/00/79/563690079.db2.gz WXQUCLDRHQWEOV-AWEZNQCLSA-N 1 0 381.318 2.687 20 0 GFADRO C[C@@H]1[C@H](N2CCOCC2)CC[N@@H+]1CCC(=O)Nc1cccc(Br)c1 ZINC000289931214 563691735 /nfs/dbraw/zinc/69/17/35/563691735.db2.gz UVVAKOSMOVRJDK-RHSMWYFYSA-N 1 0 396.329 2.573 20 0 GFADRO COc1ccc(CCC(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc1Br ZINC000360467859 563692622 /nfs/dbraw/zinc/69/26/22/563692622.db2.gz SIXTYDOIXGGJME-LZWOXQAQSA-N 1 0 381.314 2.976 20 0 GFADRO Cc1c(Br)cccc1NC(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000360535090 563692947 /nfs/dbraw/zinc/69/29/47/563692947.db2.gz AAYNMVORHJFWHF-HOTGVXAUSA-N 1 0 382.302 2.820 20 0 GFADRO O=C(NCc1sccc1Br)NC[C@H]1CN2CCCC[C@H]2CO1 ZINC000360735719 563694439 /nfs/dbraw/zinc/69/44/39/563694439.db2.gz DQTCOTGNBOHKQR-RYUDHWBXSA-N 1 0 388.331 2.563 20 0 GFADRO CN(C)[C@H](C[NH2+][C@@H]1CCCc2ccc(S(N)(=O)=O)cc21)c1cccs1 ZINC000290011137 563694655 /nfs/dbraw/zinc/69/46/55/563694655.db2.gz ZLOFFNWCWZDRAY-IAGOWNOFSA-N 1 0 379.551 2.665 20 0 GFADRO CC(C)CS(=O)(=O)N1CCC([NH2+]Cc2c[nH]nc2-c2cccs2)CC1 ZINC000360796382 563695102 /nfs/dbraw/zinc/69/51/02/563695102.db2.gz ZMIKMYMBVPQEJK-UHFFFAOYSA-N 1 0 382.555 2.678 20 0 GFADRO Cc1cc(Br)cn2cc(CC[NH2+]Cc3cn(C(C)C)nn3)nc12 ZINC000290030222 563695459 /nfs/dbraw/zinc/69/54/59/563695459.db2.gz DVWLGVSNRZFJQF-UHFFFAOYSA-N 1 0 377.290 2.910 20 0 GFADRO O=C(COc1ccc(Br)cc1)N1CCC[N@@H+](C2CCOCC2)CC1 ZINC000361461710 563700120 /nfs/dbraw/zinc/70/01/20/563700120.db2.gz HSLSLHVATCWCIS-UHFFFAOYSA-N 1 0 397.313 2.541 20 0 GFADRO Cc1c(Br)cccc1C(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000362065377 563703726 /nfs/dbraw/zinc/70/37/26/563703726.db2.gz KOCDQKGVQHWFEY-KSSFIOAISA-N 1 0 394.357 2.856 20 0 GFADRO C[C@H]1CN(Cc2cc(Br)cc3c2OCC3)CC[N@@H+]1CC(C)(C)O ZINC000438344146 563703981 /nfs/dbraw/zinc/70/39/81/563703981.db2.gz WTNCWMLIPJGRFF-ZDUSSCGKSA-N 1 0 383.330 2.661 20 0 GFADRO Cc1cc(S(=O)(=O)N2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)c(Cl)cc1F ZINC000362162523 563704434 /nfs/dbraw/zinc/70/44/34/563704434.db2.gz PLHMDMLMYUEAIM-VBNZEHGJSA-N 1 0 390.908 2.660 20 0 GFADRO CC[C@@H](C(=O)N[C@@H](CO)c1ccc(Br)cc1C(F)(F)F)[NH+](C)C ZINC000413767555 563705962 /nfs/dbraw/zinc/70/59/62/563705962.db2.gz NFTTWAVLFQBXRO-STQMWFEESA-N 1 0 397.235 2.958 20 0 GFADRO CC(C)[N@H+](C)C[C@@H](C)NC(=O)C(=O)Nc1cc(F)cc(Br)c1F ZINC000290343949 563706387 /nfs/dbraw/zinc/70/63/87/563706387.db2.gz NFGYUCXLHVZDIW-SECBINFHSA-N 1 0 392.244 2.511 20 0 GFADRO CC(C)[N@H+](C)C[C@@H](C)NC(=O)C(=O)Nc1ccc(Cl)cc1OC(F)F ZINC000290402226 563708567 /nfs/dbraw/zinc/70/85/67/563708567.db2.gz STUHRWWUJJPKDI-SNVBAGLBSA-N 1 0 377.819 2.725 20 0 GFADRO COc1cc(Br)c(C[N@@H+]2CC[C@H](C(=O)N3CCCC3)C2)c(OC)c1 ZINC000290461508 563710631 /nfs/dbraw/zinc/71/06/31/563710631.db2.gz NBJHRWUCEMGHDS-ZDUSSCGKSA-N 1 0 397.313 2.911 20 0 GFADRO O=C(NC1CC[NH+](C2CC2)CC1)N1CCC(n2cc(Br)cn2)CC1 ZINC000363012388 563711757 /nfs/dbraw/zinc/71/17/57/563711757.db2.gz HWYKVAOTPYUCPY-UHFFFAOYSA-N 1 0 396.333 2.619 20 0 GFADRO CC[NH+]1CCN([C@H]2CCN(c3noc4ccc(Br)cc43)C2)CC1 ZINC000290666337 563717603 /nfs/dbraw/zinc/71/76/03/563717603.db2.gz QOROCPYHWXRCBZ-AWEZNQCLSA-N 1 0 379.302 2.807 20 0 GFADRO CCS(=O)(=O)N1CC(C[NH2+][C@@H]2CCCc3c(Br)cccc32)C1 ZINC000439129527 563717679 /nfs/dbraw/zinc/71/76/79/563717679.db2.gz CIZWSALIWOZQMF-MRXNPFEDSA-N 1 0 387.343 2.698 20 0 GFADRO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]CC(=O)Nc1ccc(Cl)cc1 ZINC000414082205 563718029 /nfs/dbraw/zinc/71/80/29/563718029.db2.gz VCHGCHJIEZPEHK-NSHDSACASA-N 1 0 398.688 2.881 20 0 GFADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]C1CCN(CC(F)(F)F)CC1 ZINC000414086998 563718707 /nfs/dbraw/zinc/71/87/07/563718707.db2.gz ZUSRIMDZKHKOKS-LLVKDONJSA-N 1 0 396.251 2.616 20 0 GFADRO O=S(=O)(c1ccc(F)c(Br)c1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000439225254 563719899 /nfs/dbraw/zinc/71/98/99/563719899.db2.gz RMRNNIXUCYAPHS-LBPRGKRZSA-N 1 0 391.306 2.695 20 0 GFADRO Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)N1CC[C@H]([NH+]2CCCC2)[C@@H]1C ZINC000290772303 563720720 /nfs/dbraw/zinc/72/07/20/563720720.db2.gz CEKPEZDJTWDSJM-JQWIXIFHSA-N 1 0 378.826 2.949 20 0 GFADRO COc1cccc2c1C[C@H]([NH2+][C@H](C)Cn1cc(Br)ccc1=O)C2 ZINC000414183238 563721938 /nfs/dbraw/zinc/72/19/38/563721938.db2.gz NDEOWVQSFDMDHG-IUODEOHRSA-N 1 0 377.282 2.765 20 0 GFADRO COCC[C@H](C)C[NH2+][C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000414213622 563722618 /nfs/dbraw/zinc/72/26/18/563722618.db2.gz YDWAVXYDHLEHHZ-FZMZJTMJSA-N 1 0 376.316 2.930 20 0 GFADRO Cc1ncc(S(=O)(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)s1 ZINC000363445908 563722604 /nfs/dbraw/zinc/72/26/04/563722604.db2.gz DEQOBPMZBYKCHP-WMLDXEAASA-N 1 0 379.551 2.983 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)C(=O)N1CC[N@H+](C)CC[C@@H]1C ZINC000439342226 563722711 /nfs/dbraw/zinc/72/27/11/563722711.db2.gz CBUPBUKWKOHELD-LBPRGKRZSA-N 1 0 382.302 2.503 20 0 GFADRO C[C@@H]([NH2+]C[C@H](O)CS(=O)(=O)c1cccs1)c1nccc2ccccc21 ZINC000290822000 563722823 /nfs/dbraw/zinc/72/28/23/563722823.db2.gz WZUBLHGQDMJWOF-HIFRSBDPSA-N 1 0 376.503 2.782 20 0 GFADRO C[C@@H]1CC[N@H+](C)CCN1C(=O)C(=O)Nc1cc(Cl)ccc1Br ZINC000439340764 563722912 /nfs/dbraw/zinc/72/29/12/563722912.db2.gz KNBQQNCEUOJHFK-SNVBAGLBSA-N 1 0 388.693 2.594 20 0 GFADRO CCOC(=O)C[C@@H](C)[N@H+](C)C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000439432400 563723910 /nfs/dbraw/zinc/72/39/10/563723910.db2.gz TWILAUUPLDEMJR-BXUZGUMPSA-N 1 0 392.265 2.601 20 0 GFADRO O[C@@H](COc1cc(F)cc(Br)c1)C[NH+]1CCC(c2ncc[nH]2)CC1 ZINC000439420496 563723978 /nfs/dbraw/zinc/72/39/78/563723978.db2.gz JHQOCWHTOXCZKT-OAHLLOKOSA-N 1 0 398.276 2.931 20 0 GFADRO C[C@H](O)[C@@H]1CCCC[N@@H+]1C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000439428382 563723984 /nfs/dbraw/zinc/72/39/84/563723984.db2.gz FSFDFZOXTRXPLN-PJODQICGSA-N 1 0 376.266 2.563 20 0 GFADRO CCN(CC[NH2+]Cc1ccc(S(N)(=O)=O)c(Cl)c1)c1cccc(C)c1 ZINC000414258653 563724078 /nfs/dbraw/zinc/72/40/78/563724078.db2.gz LZCFVYPCSIQTSR-UHFFFAOYSA-N 1 0 381.929 2.912 20 0 GFADRO COc1ccc(OC)c([C@@H](C)[NH2+]Cc2ccc(S(N)(=O)=O)c(Cl)c2)c1 ZINC000414263708 563724177 /nfs/dbraw/zinc/72/41/77/563724177.db2.gz PRTHSOZDAAGQLS-LLVKDONJSA-N 1 0 384.885 2.855 20 0 GFADRO O[C@@H](COc1cc(F)cc(Br)c1)C[N@@H+]1CCOCC2(CCC2)C1 ZINC000439434096 563724995 /nfs/dbraw/zinc/72/49/95/563724995.db2.gz AXGOZOLKVHUDAK-OAHLLOKOSA-N 1 0 388.277 2.830 20 0 GFADRO C[C@H]1Cc2ccccc2N1CC[NH2+]Cc1ccc(S(N)(=O)=O)c(Cl)c1 ZINC000414306947 563725540 /nfs/dbraw/zinc/72/55/40/563725540.db2.gz RSISIDOOZSCIPQ-ZDUSSCGKSA-N 1 0 379.913 2.528 20 0 GFADRO C[N@@H+]1CCC[C@@H](CNC(=O)CSc2cccc[n+]2[O-])[C@H]1c1cccs1 ZINC000363559784 563725972 /nfs/dbraw/zinc/72/59/72/563725972.db2.gz HKMIGXDUTUUHNE-KSSFIOAISA-N 1 0 377.535 2.673 20 0 GFADRO CS(=O)(=O)c1ccc(C[NH2+]C[C@H]2CCN(CCc3ccccc3)C2)s1 ZINC000414330043 563727066 /nfs/dbraw/zinc/72/70/66/563727066.db2.gz REJKYJPNZNYLRN-QGZVFWFLSA-N 1 0 378.563 2.806 20 0 GFADRO COc1ccc(Br)cc1C(=O)CCC(=O)NCC[NH2+]C(C)(C)C ZINC000439491015 563727397 /nfs/dbraw/zinc/72/73/97/563727397.db2.gz BDAWMGRWJDPWTQ-UHFFFAOYSA-N 1 0 385.302 2.925 20 0 GFADRO CC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C1 ZINC000363582953 563727769 /nfs/dbraw/zinc/72/77/69/563727769.db2.gz OZPAAYIICRNJOM-GXTWGEPZSA-N 1 0 384.307 2.804 20 0 GFADRO O=C(CN1CCC[C@@H]1C[N@H+]1CCC[C@H]1CO)Nc1cccc(Cl)c1Cl ZINC000363638090 563728893 /nfs/dbraw/zinc/72/88/93/563728893.db2.gz PWITUNFCXARNLY-KGLIPLIRSA-N 1 0 386.323 2.853 20 0 GFADRO COc1cc(C)cc(C[NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)c1 ZINC000414358183 563729032 /nfs/dbraw/zinc/72/90/32/563729032.db2.gz FZSRTGBAEHQTLF-UHFFFAOYSA-N 1 0 399.310 2.703 20 0 GFADRO Cn1ccc(N2CCC[C@@H]([NH2+]Cc3cc(F)cc(Br)c3)C2=O)n1 ZINC000439568951 563729190 /nfs/dbraw/zinc/72/91/90/563729190.db2.gz ZTFBJPVBEVVKOZ-CQSZACIVSA-N 1 0 381.249 2.607 20 0 GFADRO Cc1ccc(S(=O)(=O)NCCC2CC[NH+](C3CCN(C)CC3)CC2)s1 ZINC000363640211 563729334 /nfs/dbraw/zinc/72/93/34/563729334.db2.gz VXZVJFFHNNOJGE-UHFFFAOYSA-N 1 0 385.599 2.531 20 0 GFADRO C[C@H](CC(=O)N1CCN([C@H]2CCOC2)CC1)c1ccc(Br)cc1 ZINC000363711321 563730819 /nfs/dbraw/zinc/73/08/19/563730819.db2.gz PYRKRZJJVBZSGR-PBHICJAKSA-N 1 0 381.314 2.876 20 0 GFADRO COC(=O)c1ccc(S(=O)(=O)N[C@H](C)[C@H](c2ccccc2)[NH+](C)C)s1 ZINC000440079493 563735590 /nfs/dbraw/zinc/73/55/90/563735590.db2.gz YKCJEDZJRRVEEO-MLGOLLRUSA-N 1 0 382.507 2.504 20 0 GFADRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NS(=O)(=O)c1ccc(F)cc1Br ZINC000440084574 563736382 /nfs/dbraw/zinc/73/63/82/563736382.db2.gz WRUZLBMAWFFEMZ-RYUDHWBXSA-N 1 0 393.322 2.987 20 0 GFADRO CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)c3cc(F)cc(Br)c3)C2)CC1 ZINC000363940882 563737490 /nfs/dbraw/zinc/73/74/90/563737490.db2.gz QHSRRSPKJVCSQT-QGZVFWFLSA-N 1 0 398.320 2.829 20 0 GFADRO COC(=O)c1cc(Br)cc(C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)c1 ZINC000291303408 563738062 /nfs/dbraw/zinc/73/80/62/563738062.db2.gz IJRMKTRNYHQQMH-LRDDRELGSA-N 1 0 395.297 2.792 20 0 GFADRO CCOc1ccc(S(=O)(=O)N[C@H](C)[C@H]2CCC[NH2+]C2)cc1Br ZINC000440335598 563739039 /nfs/dbraw/zinc/73/90/39/563739039.db2.gz GGTCJRZTBNQPDM-NEPJUHHUSA-N 1 0 391.331 2.514 20 0 GFADRO C[N@H+](CCO)C1CCN(S(=O)(=O)c2c(Cl)ccc3ccccc32)CC1 ZINC000440295011 563739217 /nfs/dbraw/zinc/73/92/17/563739217.db2.gz SKXXUAIDTILAQA-UHFFFAOYSA-N 1 0 382.913 2.570 20 0 GFADRO Cc1c(S(=O)(=O)N2CCCC[C@H]2[C@H](C)[NH3+])cnn1-c1ccc(Cl)cc1 ZINC000440355848 563739968 /nfs/dbraw/zinc/73/99/68/563739968.db2.gz NPOVKADXINNWRU-LRDDRELGSA-N 1 0 382.917 2.725 20 0 GFADRO C[N@@H+]1C[C@H](NS(=O)(=O)Cc2cc(Cl)ccc2F)[C@H](c2ccccc2)C1 ZINC000414457855 563740123 /nfs/dbraw/zinc/74/01/23/563740123.db2.gz GUJLMTOOMRCRHZ-WMZOPIPTSA-N 1 0 382.888 2.996 20 0 GFADRO O=C(CN1CCC[C@@H]1C[N@H+]1CCC[C@H]1CO)Nc1ccc(Cl)c(Cl)c1 ZINC000364057372 563741376 /nfs/dbraw/zinc/74/13/76/563741376.db2.gz RNXBWPNDVPDNJO-CABCVRRESA-N 1 0 386.323 2.853 20 0 GFADRO C[NH+](C)[C@H]1CCC[C@@H]1NS(=O)(=O)c1cccc(Br)c1Cl ZINC000414464476 563741987 /nfs/dbraw/zinc/74/19/87/563741987.db2.gz NNJZPQGRCNSFOR-QWRGUYRKSA-N 1 0 381.723 2.864 20 0 GFADRO C[NH+](C)CCN(C1CC1)S(=O)(=O)c1c(Cl)cccc1Br ZINC000414468021 563742738 /nfs/dbraw/zinc/74/27/38/563742738.db2.gz XFBWAIFGNNQRLF-UHFFFAOYSA-N 1 0 381.723 2.817 20 0 GFADRO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+][C@@H]2CCC[C@@H](S(C)(=O)=O)C2)c1 ZINC000414497615 563744414 /nfs/dbraw/zinc/74/44/14/563744414.db2.gz UHSYIQQZXBZSOP-HUUCEWRRSA-N 1 0 393.958 2.579 20 0 GFADRO CC(C)(O)C[N@@H+]1CCCN(C(=O)CCOc2ccccc2Br)CC1 ZINC000364161097 563745602 /nfs/dbraw/zinc/74/56/02/563745602.db2.gz NECBSQWVFQQFHL-UHFFFAOYSA-N 1 0 399.329 2.523 20 0 GFADRO CCS(=O)(=O)CCC[NH2+]Cc1cc(Cl)ccc1OC[C@@H]1CCCO1 ZINC000414538367 563745823 /nfs/dbraw/zinc/74/58/23/563745823.db2.gz BJMLWDUUVRJKIY-INIZCTEOSA-N 1 0 375.918 2.812 20 0 GFADRO Cc1cnc(Br)c(NC(=O)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)c1 ZINC000291513075 563745912 /nfs/dbraw/zinc/74/59/12/563745912.db2.gz OUJWNWXPDCBQFO-ZDUSSCGKSA-N 1 0 399.333 2.574 20 0 GFADRO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@@H](CO)[C@@H]1CCCOC1 ZINC000414551164 563745950 /nfs/dbraw/zinc/74/59/50/563745950.db2.gz JRBPYEFPXLRCMB-IOASZLSFSA-N 1 0 385.302 2.543 20 0 GFADRO CC[C@@](C[NH2+]Cc1ccc(S(C)(=O)=O)s1)(C(=O)OC)c1ccccc1 ZINC000414587803 563747568 /nfs/dbraw/zinc/74/75/68/563747568.db2.gz NGLVBZNMWBBSML-SFHVURJKSA-N 1 0 381.519 2.762 20 0 GFADRO [NH3+][C@@H]1CCC[C@@]12CCN(C(=O)c1c(F)cccc1I)C2 ZINC000364264001 563747775 /nfs/dbraw/zinc/74/77/75/563747775.db2.gz XVKRGBRXJKIVJJ-DOMZBBRYSA-N 1 0 388.224 2.774 20 0 GFADRO OC[C@H]1CCC[C@@H]([NH2+]Cc2ccc(Br)cc2N2CCOCC2)C1 ZINC000414579928 563747851 /nfs/dbraw/zinc/74/78/51/563747851.db2.gz QGYFPBACDVXXGK-WMLDXEAASA-N 1 0 383.330 2.926 20 0 GFADRO COCCCOc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000440735205 563748737 /nfs/dbraw/zinc/74/87/37/563748737.db2.gz NJZVHGJJHBWTHS-UONOGXRCSA-N 1 0 390.933 2.503 20 0 GFADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)[C@H](C)c1cccc(Br)c1 ZINC000291598174 563749334 /nfs/dbraw/zinc/74/93/34/563749334.db2.gz BSQSELHQEJLXOZ-HUUCEWRRSA-N 1 0 382.346 2.695 20 0 GFADRO C[C@H]1CN(S(=O)(=O)c2cnc(Cl)c(Cl)c2)CC[N@@H+](C2CCC2)C1 ZINC000291602592 563749442 /nfs/dbraw/zinc/74/94/42/563749442.db2.gz ACGBKIFHYVJGNT-LLVKDONJSA-N 1 0 378.325 2.883 20 0 GFADRO C[C@H]1CN(S(=O)(=O)c2ccc3cc(Br)ccc3c2)CC[C@@H]1[NH3+] ZINC000440746611 563749513 /nfs/dbraw/zinc/74/95/13/563749513.db2.gz JTYSJVUJTJSJPF-ZBEGNZNMSA-N 1 0 383.311 2.960 20 0 GFADRO Cc1cc(Br)cc(S(=O)(=O)NCCC[NH2+]Cc2cccnc2)c1 ZINC000440763661 563749654 /nfs/dbraw/zinc/74/96/54/563749654.db2.gz SYFYGRHIRRZHNA-UHFFFAOYSA-N 1 0 398.326 2.611 20 0 GFADRO O=C(Nc1cccc(I)c1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000414689128 563750257 /nfs/dbraw/zinc/75/02/57/563750257.db2.gz FWGGAZCMDSYDJB-OAHLLOKOSA-N 1 0 385.249 2.899 20 0 GFADRO O=S(=O)(NC[C@@H]1CC[NH2+]C1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000440834936 563751037 /nfs/dbraw/zinc/75/10/37/563751037.db2.gz BAHQJQCLFFNKTR-MRVPVSSYSA-N 1 0 376.322 2.612 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCN(S(=O)(=O)c2ccc3cc(Br)ccc3c2)C1 ZINC000440833074 563751101 /nfs/dbraw/zinc/75/11/01/563751101.db2.gz NKFNRJAPBUAUIS-SMDDNHRTSA-N 1 0 383.311 2.960 20 0 GFADRO CN1CC[NH+](CCC2CCN(C(=O)c3occc3Br)CC2)CC1 ZINC000364374340 563751475 /nfs/dbraw/zinc/75/14/75/563751475.db2.gz JQGZERXTJBNQMH-UHFFFAOYSA-N 1 0 384.318 2.532 20 0 GFADRO COc1ccc(S(=O)(=O)NC[C@@H]2[NH2+]CCCC2(C)C)c(Br)c1 ZINC000440846884 563751612 /nfs/dbraw/zinc/75/16/12/563751612.db2.gz NZJGTIZFSISDAB-AWEZNQCLSA-N 1 0 391.331 2.514 20 0 GFADRO CC(C)(C)[NH2+]CCN1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000414737912 563751811 /nfs/dbraw/zinc/75/18/11/563751811.db2.gz DRXJDKQTHBNCSN-CYBMUJFWSA-N 1 0 383.334 2.883 20 0 GFADRO C[C@H]1CN(S(=O)(=O)c2ccc(Br)c(Cl)c2Cl)C[C@H]1[NH3+] ZINC000440846346 563751878 /nfs/dbraw/zinc/75/18/78/563751878.db2.gz LYJHAZYHGCRJPT-POYBYMJQSA-N 1 0 388.114 2.724 20 0 GFADRO CSCC[C@H](C)N(C)C(=O)C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000414879631 563753365 /nfs/dbraw/zinc/75/33/65/563753365.db2.gz PKBLSKCZSICZJM-JTQLQIEISA-N 1 0 377.432 2.703 20 0 GFADRO CCOC(=O)COc1c(Br)cc(C)cc1CNC[C@@H]([NH3+])C(C)C ZINC000414800173 563753711 /nfs/dbraw/zinc/75/37/11/563753711.db2.gz RVWSGCAAWMWZAH-OAHLLOKOSA-N 1 0 387.318 2.772 20 0 GFADRO C[C@@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ncc(Br)cc1F ZINC000364462318 563753874 /nfs/dbraw/zinc/75/38/74/563753874.db2.gz CFZJIPKPDZLAFG-TZMCWYRMSA-N 1 0 385.325 2.802 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)C[C@H]1CCC[NH2+]CC1 ZINC000364481402 563754536 /nfs/dbraw/zinc/75/45/36/563754536.db2.gz HURMIDBLUDLVRI-AWEZNQCLSA-N 1 0 396.329 2.934 20 0 GFADRO C[C@@H]1[C@@H](NC(=O)c2cnn(C)c2Br)CC[N@@H+]1Cc1ccccc1 ZINC000291735870 563756592 /nfs/dbraw/zinc/75/65/92/563756592.db2.gz IRQAGMSECUTOHC-DOMZBBRYSA-N 1 0 377.286 2.575 20 0 GFADRO C[NH+](C)[C@@H]1CCCN(S(=O)(=O)CCc2ccccc2Br)CC1 ZINC000291754320 563757290 /nfs/dbraw/zinc/75/72/90/563757290.db2.gz TWTQYGIWFUEJRN-OAHLLOKOSA-N 1 0 389.359 2.738 20 0 GFADRO CO[C@H]1CCCC[C@@H]1[NH2+]CCS(=O)(=O)c1cccc(Br)c1 ZINC000441243351 563757264 /nfs/dbraw/zinc/75/72/64/563757264.db2.gz IBYUUWCPDOHHJF-GJZGRUSLSA-N 1 0 376.316 2.770 20 0 GFADRO COc1ccc(I)c(NC(=O)N2CC[C@H]([NH3+])[C@H](C)C2)c1 ZINC000415071857 563757647 /nfs/dbraw/zinc/75/76/47/563757647.db2.gz LBCUZBSLYROQHP-SKDRFNHKSA-N 1 0 389.237 2.501 20 0 GFADRO Cc1cc(Br)cc(CNC[C@H]2C[NH2+]CCCO2)c1OC(F)F ZINC000415050416 563757851 /nfs/dbraw/zinc/75/78/51/563757851.db2.gz YQWWERMODKKKIE-CYBMUJFWSA-N 1 0 379.245 2.827 20 0 GFADRO COc1ccc(I)c(NC(=O)N[C@H]2CCC[C@H]([NH3+])C2)c1 ZINC000415078848 563758554 /nfs/dbraw/zinc/75/85/54/563758554.db2.gz WEWNCBBHYMRKAE-UWVGGRQHSA-N 1 0 389.237 2.691 20 0 GFADRO COc1ccc(I)c(NC(=O)N2C[C@@H](C[NH3+])C[C@H]2C)c1 ZINC000415079437 563758637 /nfs/dbraw/zinc/75/86/37/563758637.db2.gz XFCHWSZBRQUQJK-NXEZZACHSA-N 1 0 389.237 2.501 20 0 GFADRO COc1ccc(I)c(NC(=O)N[C@@H]2CC[NH2+][C@H](C)C2)c1 ZINC000415075633 563758956 /nfs/dbraw/zinc/75/89/56/563758956.db2.gz QZYFXWAIRMLSOS-NXEZZACHSA-N 1 0 389.237 2.562 20 0 GFADRO C[C@H](COc1ccc2cc(Br)ccc2c1)[NH2+]C[C@H]1CNCCO1 ZINC000415096456 563758978 /nfs/dbraw/zinc/75/89/78/563758978.db2.gz PZRJZINILSZJGP-FZKQIMNGSA-N 1 0 379.298 2.948 20 0 GFADRO CCC[NH2+]CCNC(=O)Nc1cc(F)c(I)c(F)c1 ZINC000415123001 563759621 /nfs/dbraw/zinc/75/96/21/563759621.db2.gz OZHFBVAAYVISAS-UHFFFAOYSA-N 1 0 383.180 2.691 20 0 GFADRO CN(C(=O)c1cc(F)ccc1I)[C@H]1CCC[NH2+]CC1 ZINC000364641632 563759954 /nfs/dbraw/zinc/75/99/54/563759954.db2.gz NQSNZCKXHLCNFE-NSHDSACASA-N 1 0 376.213 2.644 20 0 GFADRO O=C1N[C@@H]2CN(Cc3c(Cl)cccc3Cl)CC[C@H]2N1C1CC[NH2+]CC1 ZINC000415140943 563760289 /nfs/dbraw/zinc/76/02/89/563760289.db2.gz OCFZWRAOTZHRBE-IAGOWNOFSA-N 1 0 383.323 2.714 20 0 GFADRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)Nc1cc(F)c(I)c(F)c1 ZINC000415129474 563760520 /nfs/dbraw/zinc/76/05/20/563760520.db2.gz ZAEUVVNLPZXYQI-RDDDGLTNSA-N 1 0 395.191 2.689 20 0 GFADRO CCSc1cccc(NC(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)c1 ZINC000415163581 563761161 /nfs/dbraw/zinc/76/11/61/563761161.db2.gz APSBOMZPRKCVGT-CQSZACIVSA-N 1 0 376.448 2.756 20 0 GFADRO C[NH2+][C@H]1CCCN(C(=O)Nc2cc(Br)ccc2-n2cccn2)C1 ZINC000415164296 563761321 /nfs/dbraw/zinc/76/13/21/563761321.db2.gz PGLVKTZCGUAAHQ-ZDUSSCGKSA-N 1 0 378.274 2.851 20 0 GFADRO CO[C@H]1CCN(C(=O)Nc2c(F)cc(Br)cc2F)[C@@H](C[NH3+])C1 ZINC000415210877 563762487 /nfs/dbraw/zinc/76/24/87/563762487.db2.gz KPOYYPGFYYZYMQ-ZJUUUORDSA-N 1 0 378.217 2.697 20 0 GFADRO CC[C@H]([NH3+])CNC(=O)Nc1ccc(CCn2cc(Br)cn2)cc1 ZINC000415210969 563762591 /nfs/dbraw/zinc/76/25/91/563762591.db2.gz LJXBJRDKMBGSMN-AWEZNQCLSA-N 1 0 380.290 2.747 20 0 GFADRO Cc1cc(COc2ccc(C(=O)NC[C@H](C)C[NH3+])cc2Br)on1 ZINC000441621679 563762742 /nfs/dbraw/zinc/76/27/42/563762742.db2.gz PHWJKOKSCZKWAW-SNVBAGLBSA-N 1 0 382.258 2.649 20 0 GFADRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)Nc1cc(F)c(F)cc1I ZINC000415225049 563762865 /nfs/dbraw/zinc/76/28/65/563762865.db2.gz BKFJSNKVYHFMMW-KRTXAFLBSA-N 1 0 395.191 2.689 20 0 GFADRO Cc1cc(Br)cc(NC(=O)C(=O)N2CCCC23CC[NH+](C)CC3)c1 ZINC000364775134 563763978 /nfs/dbraw/zinc/76/39/78/563763978.db2.gz GYICPRAVXADDAT-UHFFFAOYSA-N 1 0 394.313 2.783 20 0 GFADRO [NH3+][C@H]1CCN(C(=O)Nc2ccc(Cl)c(C(=O)NCc3cccs3)c2)C1 ZINC000415261898 563764757 /nfs/dbraw/zinc/76/47/57/563764757.db2.gz ZGCQXBRRCKZRAC-NSHDSACASA-N 1 0 378.885 2.896 20 0 GFADRO [NH3+][C@@H]1CCCN(C(=O)C(=O)Nc2cccc(Cl)c2SCC(F)F)C1 ZINC000415274446 563764857 /nfs/dbraw/zinc/76/48/57/563764857.db2.gz URDMFZXRUIBPEH-SECBINFHSA-N 1 0 377.844 2.585 20 0 GFADRO O=C(Nc1cc(I)ccc1Cl)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000415261080 563764900 /nfs/dbraw/zinc/76/49/00/563764900.db2.gz CRZFECKBHMETDY-DTORHVGOSA-N 1 0 391.640 2.628 20 0 GFADRO [NH3+][C@@H](CNC(=O)Nc1ccc(Cl)cc1I)C1CC1 ZINC000415283366 563765594 /nfs/dbraw/zinc/76/55/94/563765594.db2.gz MWNPKKDLQCXRCZ-JTQLQIEISA-N 1 0 379.629 2.803 20 0 GFADRO O=C1C[C@@]2(CC[N@@H+](Cc3ncc(-c4ccc(Br)cc4)o3)C2)CN1 ZINC000364836850 563765745 /nfs/dbraw/zinc/76/57/45/563765745.db2.gz CYTBWSSULVDSLL-KRWDZBQOSA-N 1 0 376.254 2.816 20 0 GFADRO CN(C(=O)Nc1cccc(Oc2ncc(Br)cn2)c1)C1CC([NH3+])C1 ZINC000415300366 563765996 /nfs/dbraw/zinc/76/59/96/563765996.db2.gz JUYQUVRARJGIMD-UHFFFAOYSA-N 1 0 392.257 2.985 20 0 GFADRO CCOc1cc(Br)ccc1NC(=O)N1CC[C@@H](OC)C[C@@H]1C[NH3+] ZINC000415295839 563766132 /nfs/dbraw/zinc/76/61/32/563766132.db2.gz IFTOVDDYQMYFTP-CHWSQXEVSA-N 1 0 386.290 2.818 20 0 GFADRO C[C@H](C(=O)NCCCC[N@@H+]1CCC[C@H]1CO)c1cccc(Br)c1 ZINC000291945803 563766112 /nfs/dbraw/zinc/76/61/12/563766112.db2.gz PVYMHFUFERFWEB-YOEHRIQHSA-N 1 0 383.330 2.906 20 0 GFADRO O=C(NCCOc1ncc(Cl)cc1Cl)c1cccn1C1CC[NH2+]CC1 ZINC000364867461 563766284 /nfs/dbraw/zinc/76/62/84/563766284.db2.gz ODOSXXFXQOONPP-UHFFFAOYSA-N 1 0 383.279 2.923 20 0 GFADRO [NH3+]C1(CNC(=O)C(=O)Nc2nc(-c3cccs3)cs2)CCCCCC1 ZINC000415321557 563766661 /nfs/dbraw/zinc/76/66/61/563766661.db2.gz XQUMAZKVYUKIMX-UHFFFAOYSA-N 1 0 378.523 2.978 20 0 GFADRO Cc1cc(Cl)cc(NC(=O)C(=O)N(C)C2CC[NH2+]CC2)c1Br ZINC000415317221 563766699 /nfs/dbraw/zinc/76/66/99/563766699.db2.gz CJSXPAPIONETHU-UHFFFAOYSA-N 1 0 388.693 2.560 20 0 GFADRO Cc1ccc(NC(=O)C(=O)NCC2([NH3+])CCCCCC2)c(Br)c1 ZINC000415311400 563766949 /nfs/dbraw/zinc/76/69/49/563766949.db2.gz DNLADVZTIRWHNX-UHFFFAOYSA-N 1 0 382.302 2.864 20 0 GFADRO Cc1cnc(Br)c(NC(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)c1 ZINC000291983590 563767776 /nfs/dbraw/zinc/76/77/76/563767776.db2.gz FUYWSZIQVFYJDD-CYBMUJFWSA-N 1 0 397.317 2.775 20 0 GFADRO [NH3+]CC1CCN(C(=O)Nc2cnn(-c3ccccc3Br)c2)CC1 ZINC000415348524 563768718 /nfs/dbraw/zinc/76/87/18/563768718.db2.gz BBBVDJGCVGHRMJ-UHFFFAOYSA-N 1 0 378.274 2.837 20 0 GFADRO C[C@](C[NH3+])(NC(=O)Nc1cnn(-c2ccccc2Br)c1)C1CC1 ZINC000415351447 563769584 /nfs/dbraw/zinc/76/95/84/563769584.db2.gz IAMWPMCTRYJBNP-MRXNPFEDSA-N 1 0 378.274 2.884 20 0 GFADRO C[C@H](CO)[N@@H+]1CCCN(CC(=O)N[C@H](C)c2ccc(Cl)cc2Cl)CC1 ZINC000364954743 563769598 /nfs/dbraw/zinc/76/95/98/563769598.db2.gz LWKOGHPNWHHGJR-ZIAGYGMSSA-N 1 0 388.339 2.559 20 0 GFADRO O=C(NC[C@@H]1C[NH2+]CCO1)Nc1ccc(C(F)(F)F)cc1Br ZINC000415360628 563770506 /nfs/dbraw/zinc/77/05/06/563770506.db2.gz STHKBXCQQOEWGZ-VIFPVBQESA-N 1 0 382.180 2.578 20 0 GFADRO C[NH2+][C@@H]1CCCN(C(=O)C(=O)Nc2cc(Cl)cc(C)c2Br)C1 ZINC000415363074 563770651 /nfs/dbraw/zinc/77/06/51/563770651.db2.gz PYROIDALHGXHMU-LLVKDONJSA-N 1 0 388.693 2.560 20 0 GFADRO [NH3+]CC[C@H](NC(=O)Nc1cnn(-c2ccccc2Br)c1)C(F)F ZINC000415360294 563770697 /nfs/dbraw/zinc/77/06/97/563770697.db2.gz XLNOBFGHLGHSSD-NSHDSACASA-N 1 0 388.216 2.739 20 0 GFADRO O=C(NCCC1=CC[NH2+]CC1)Nc1cccc(F)c1I ZINC000415366008 563771178 /nfs/dbraw/zinc/77/11/78/563771178.db2.gz VKCJZJUEMHCABS-UHFFFAOYSA-N 1 0 389.212 2.862 20 0 GFADRO O=C(NC[C@H]1CCC[NH2+]1)C(=O)Nc1ccc(Br)c(Cl)c1Cl ZINC000415370158 563771288 /nfs/dbraw/zinc/77/12/88/563771288.db2.gz CYSXBOZLSOBBCL-SSDOTTSWSA-N 1 0 395.084 2.563 20 0 GFADRO CON(C)C(=O)C1CCN(Cc2nc3cc(Br)ccc3o2)CC1 ZINC000292046835 563771294 /nfs/dbraw/zinc/77/12/94/563771294.db2.gz ZXSNDGKITCHLLY-UHFFFAOYSA-N 1 0 382.258 2.822 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)Nc2cccc(F)c2I)CC[NH2+]1 ZINC000415364691 563771331 /nfs/dbraw/zinc/77/13/31/563771331.db2.gz SJSQDJNTQNAROC-RKDXNWHRSA-N 1 0 377.201 2.692 20 0 GFADRO [NH3+]CC1(NC(=O)Nc2cccc(F)c2I)CCCC1 ZINC000415365202 563771467 /nfs/dbraw/zinc/77/14/67/563771467.db2.gz UBMNAKLKVPQIJZ-UHFFFAOYSA-N 1 0 377.201 2.823 20 0 GFADRO CCCN(C(=O)C(=O)Nc1ccc(Br)c(Cl)c1)[C@H]1CC[NH2+]C1 ZINC000415389504 563771787 /nfs/dbraw/zinc/77/17/87/563771787.db2.gz JGZOCTODSOFDFN-NSHDSACASA-N 1 0 388.693 2.642 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)N1CCC([C@@H](C)[NH3+])CC1 ZINC000415387014 563772020 /nfs/dbraw/zinc/77/20/20/563772020.db2.gz PWGBSRLDNPLEAN-GFCCVEGCSA-N 1 0 382.302 2.590 20 0 GFADRO O=C(NCC[C@@H]1CCC[NH2+]C1)C(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000415404741 563773064 /nfs/dbraw/zinc/77/30/64/563773064.db2.gz BRHVDKVTECREMH-JTQLQIEISA-N 1 0 377.794 2.803 20 0 GFADRO O=C(NCC[C@@H]1CCC[NH2+]C1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000415406064 563773163 /nfs/dbraw/zinc/77/31/63/563773163.db2.gz DFKXKOFBZVMBMD-JTQLQIEISA-N 1 0 377.794 2.803 20 0 GFADRO Cc1cc(F)c(NC(=O)N2CC[C@@H]([NH3+])[C@@H]2C)c(I)c1 ZINC000415407888 563773169 /nfs/dbraw/zinc/77/31/69/563773169.db2.gz QZXBPSBZQFSCEX-GZMMTYOYSA-N 1 0 377.201 2.692 20 0 GFADRO Cc1cc(F)c(NC(=O)N2CC[C@@](C)(C[NH3+])C2)c(I)c1 ZINC000415403541 563773226 /nfs/dbraw/zinc/77/32/26/563773226.db2.gz LMLOZACXVUNFOO-AWEZNQCLSA-N 1 0 391.228 2.941 20 0 GFADRO Cc1cc(F)c(NC(=O)N2C[C@H](C)[C@H]([NH3+])C2)c(I)c1 ZINC000415407272 563773252 /nfs/dbraw/zinc/77/32/52/563773252.db2.gz QJMVQYZYQJPNLO-GZMMTYOYSA-N 1 0 377.201 2.550 20 0 GFADRO O=C(CC[NH2+]Cc1ccc(Br)o1)N1CCOc2ccccc2C1 ZINC000365084416 563773426 /nfs/dbraw/zinc/77/34/26/563773426.db2.gz KIDXVWQCZOAHKC-UHFFFAOYSA-N 1 0 379.254 2.943 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000415424655 563774144 /nfs/dbraw/zinc/77/41/44/563774144.db2.gz JBMXMEGOYNFLJL-INIZCTEOSA-N 1 0 396.329 2.974 20 0 GFADRO COCCOc1ccc(Br)cc1NC(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000415429625 563775025 /nfs/dbraw/zinc/77/50/25/563775025.db2.gz RUCCKGBKSSKQNG-NEPJUHHUSA-N 1 0 386.290 2.688 20 0 GFADRO [NH3+]CC[C@H]1CCCN(C(=O)[C@@H]2CC(=O)N(c3cc(Cl)cc(Cl)c3)C2)C1 ZINC000442598037 563775104 /nfs/dbraw/zinc/77/51/04/563775104.db2.gz LDMBECWUGGRXIR-CHWSQXEVSA-N 1 0 384.307 2.934 20 0 GFADRO [NH3+]CC[C@H]1CCCN(C(=O)c2cc(=O)[nH]c3c(Br)cccc23)C1 ZINC000442599021 563775214 /nfs/dbraw/zinc/77/52/14/563775214.db2.gz FFMGSYHPDLMBEL-LLVKDONJSA-N 1 0 378.270 2.904 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)Nc2cc(Cl)cc(Br)c2)C1 ZINC000415447054 563776118 /nfs/dbraw/zinc/77/61/18/563776118.db2.gz PWLHNPYQIBPLNM-ZJUUUORDSA-N 1 0 388.693 2.627 20 0 GFADRO CCOCCOc1ccc(Br)cc1NC(=O)NC[C@@H]([NH3+])C(C)C ZINC000415443632 563776233 /nfs/dbraw/zinc/77/62/33/563776233.db2.gz GUOVXAFIXUJLBR-CYBMUJFWSA-N 1 0 388.306 2.969 20 0 GFADRO COC(=O)c1cc(Br)c(F)cc1NC(=O)N1CC[NH2+]C(C)(C)C1 ZINC000415465309 563776896 /nfs/dbraw/zinc/77/68/96/563776896.db2.gz FFIOABWUBXLUHT-UHFFFAOYSA-N 1 0 388.237 2.591 20 0 GFADRO C[C@H]([NH3+])[C@H](C)C(=O)N1CCC(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000365192068 563776940 /nfs/dbraw/zinc/77/69/40/563776940.db2.gz OUWFQXRLXFELMD-RYUDHWBXSA-N 1 0 382.302 2.610 20 0 GFADRO CSc1ccc(NC(=O)C(=O)N2CCC([NH2+]CC3CC3)CC2)cc1Cl ZINC000415457319 563776950 /nfs/dbraw/zinc/77/69/50/563776950.db2.gz XIKJCZSGZHNBLC-UHFFFAOYSA-N 1 0 381.929 2.991 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)c(Br)c1 ZINC000415458214 563777027 /nfs/dbraw/zinc/77/70/27/563777027.db2.gz YCEHDGLEORPKLC-OLZOCXBDSA-N 1 0 382.302 2.590 20 0 GFADRO COC(=O)c1cc(Br)c(F)cc1NC(=O)N[C@](C)(C[NH3+])C(C)C ZINC000415472833 563777655 /nfs/dbraw/zinc/77/76/55/563777655.db2.gz ZGVOIMCWOBTMSF-OAHLLOKOSA-N 1 0 390.253 2.870 20 0 GFADRO O=C(Cc1cc[nH]c(=O)c1Br)N1CCC[C@H]([NH+]2CCCCC2)C1 ZINC000365214017 563777968 /nfs/dbraw/zinc/77/79/68/563777968.db2.gz AMTAICMWVVQYBD-AWEZNQCLSA-N 1 0 382.302 2.569 20 0 GFADRO C[C@H](CCCC[NH3+])NC(=O)Nc1cc(Br)cnc1-n1cccn1 ZINC000415478580 563778278 /nfs/dbraw/zinc/77/82/78/563778278.db2.gz GFLSHTONWNGCJO-LLVKDONJSA-N 1 0 381.278 2.669 20 0 GFADRO CCCC[C@@H](C[NH3+])NC(=O)C(=O)Nc1c(C)cc(Br)cc1Cl ZINC000415498877 563779808 /nfs/dbraw/zinc/77/98/08/563779808.db2.gz KEQHWZYACGCQPN-NSHDSACASA-N 1 0 390.709 2.983 20 0 GFADRO CC(C)(C)[C@@H](C[NH3+])NC(=O)Nc1nnc(-c2cccc(Br)c2)s1 ZINC000415498043 563779863 /nfs/dbraw/zinc/77/98/63/563779863.db2.gz IYCGSCQMSGNIEX-LLVKDONJSA-N 1 0 398.330 3.463 20 0 GFADRO COC[C@H]([NH2+]CCNS(=O)(=O)c1ccc(Cl)cc1F)C1CCCC1 ZINC000442868429 563782268 /nfs/dbraw/zinc/78/22/68/563782268.db2.gz NUGXPWHMYRWOQQ-HNNXBMFYSA-N 1 0 378.897 2.552 20 0 GFADRO [NH3+][C@H]1CCCN(C(=O)Nc2ccnn2Cc2ccc(Br)cc2)C1 ZINC000415528216 563782593 /nfs/dbraw/zinc/78/25/93/563782593.db2.gz LQXZKOCBYJXXAX-AWEZNQCLSA-N 1 0 378.274 2.649 20 0 GFADRO CCOc1ccc(NC(=O)NC[C@]2(COC)CCC[NH2+]2)cc1Br ZINC000415534988 563783257 /nfs/dbraw/zinc/78/32/57/563783257.db2.gz KVXWMBQFHSFMAR-INIZCTEOSA-N 1 0 386.290 2.738 20 0 GFADRO CC(C)[C@@H]([NH3+])CNC(=O)Nc1ccnn1Cc1cccc(Br)c1 ZINC000415529828 563783331 /nfs/dbraw/zinc/78/33/31/563783331.db2.gz URLVEDJVGOWKDB-AWEZNQCLSA-N 1 0 380.290 2.799 20 0 GFADRO C[C@H](CC[NH3+])NC(=O)C(=O)Nc1cc(Cl)ccc1SCC(F)(F)F ZINC000415547508 563783913 /nfs/dbraw/zinc/78/39/13/563783913.db2.gz CVMIXTUXMGYPBG-MRVPVSSYSA-N 1 0 383.823 2.786 20 0 GFADRO C[C@@H]1CN(CC(=O)Nc2ccc(Br)cn2)CC[N@@H+](C2CCC2)C1 ZINC000292371969 563784092 /nfs/dbraw/zinc/78/40/92/563784092.db2.gz RAFZJNSSZKIDNZ-CYBMUJFWSA-N 1 0 381.318 2.589 20 0 GFADRO C[C@]1(CNC(=O)C(=O)Nc2cc(Cl)ccc2C(F)(F)F)CCC[NH2+]C1 ZINC000415577839 563784874 /nfs/dbraw/zinc/78/48/74/563784874.db2.gz YRFFMUYPPVLRFK-HNNXBMFYSA-N 1 0 377.794 2.803 20 0 GFADRO O=C(NCC1=CC[NH2+]CC1)C(=O)Nc1cccc(Cl)c1SCC(F)F ZINC000415601598 563786901 /nfs/dbraw/zinc/78/69/01/563786901.db2.gz WQYOEQVLATTWDJ-UHFFFAOYSA-N 1 0 389.855 2.672 20 0 GFADRO COC(=O)c1cc(NC(=O)N[C@@H]2CC[C@H](C[NH3+])C2)cc(Br)c1F ZINC000415608725 563787354 /nfs/dbraw/zinc/78/73/54/563787354.db2.gz LYZTZMUXQIQWTD-DTWKUNHWSA-N 1 0 388.237 2.624 20 0 GFADRO C[NH+]1CCN([C@H]2CCCCN(C(=O)c3csc(Br)c3)C2)CC1 ZINC000365588730 563787477 /nfs/dbraw/zinc/78/74/77/563787477.db2.gz LAINADFNPBIMFY-AWEZNQCLSA-N 1 0 386.359 2.753 20 0 GFADRO C[NH2+]C[C@H]1CCCN1C(=O)Nc1ccc(Br)c(C(=O)OC)c1C ZINC000415603745 563787550 /nfs/dbraw/zinc/78/75/50/563787550.db2.gz UOWRGSCOPGDUBA-LLVKDONJSA-N 1 0 384.274 2.760 20 0 GFADRO COC(=O)c1cc(NC(=O)N2CC[C@H]([NH3+])[C@H](C)C2)cc(Br)c1F ZINC000415616618 563788299 /nfs/dbraw/zinc/78/82/99/563788299.db2.gz UHTXIHVJLVNRML-PELKAZGASA-N 1 0 388.237 2.576 20 0 GFADRO CC(C)Oc1ccc(Br)cc1NC(=O)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000415637877 563789278 /nfs/dbraw/zinc/78/92/78/563789278.db2.gz AUXXUZSPPAQTGZ-CHWSQXEVSA-N 1 0 398.301 2.561 20 0 GFADRO [NH3+][C@H](CNC(=O)Nc1cc(Br)cc(C(=O)N2CCCC2)c1)C1CC1 ZINC000415636418 563789332 /nfs/dbraw/zinc/78/93/32/563789332.db2.gz LAIFMIOKRTZSHV-OAHLLOKOSA-N 1 0 395.301 2.544 20 0 GFADRO C[C@]1(C[NH3+])CCN(C(=O)C(=O)Nc2cccnc2-c2ccc(Cl)s2)C1 ZINC000415690194 563791498 /nfs/dbraw/zinc/79/14/98/563791498.db2.gz LRLXGSWORNBEGK-QGZVFWFLSA-N 1 0 378.885 2.599 20 0 GFADRO CNC(=O)c1cccc(NC(=O)NC[C@H]2[NH2+]CCCC2(C)C)c1Br ZINC000415704384 563792126 /nfs/dbraw/zinc/79/21/26/563792126.db2.gz HIEVKQVOGLCKEZ-CYBMUJFWSA-N 1 0 397.317 2.708 20 0 GFADRO OC[C@@H](C[NH2+]Cc1cnn(CC(F)F)c1)Cc1ccccc1Br ZINC000292657484 563792768 /nfs/dbraw/zinc/79/27/68/563792768.db2.gz LKIBEVMZFFDSDH-GFCCVEGCSA-N 1 0 388.256 2.852 20 0 GFADRO C[C@H](CCCC[NH3+])NC(=O)C(=O)Nc1cc(Cl)ccc1Br ZINC000415743996 563793760 /nfs/dbraw/zinc/79/37/60/563793760.db2.gz OXUZCRZCYABSFU-SECBINFHSA-N 1 0 376.682 2.675 20 0 GFADRO CCOc1cc(Br)c(F)cc1NC(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000415749212 563794032 /nfs/dbraw/zinc/79/40/32/563794032.db2.gz QRSDEQIBXWEHKY-SNVBAGLBSA-N 1 0 390.253 2.568 20 0 GFADRO C[C@H]([NH3+])C1CCN(C(=O)Nc2ccn(-c3ccc(Br)cc3)n2)CC1 ZINC000415756149 563794207 /nfs/dbraw/zinc/79/42/07/563794207.db2.gz LEAMQUSCZUTMKS-LBPRGKRZSA-N 1 0 392.301 3.226 20 0 GFADRO C[C@@H]1CCCN(C(=O)Nc2ccn(-c3ccc(Br)cc3)n2)[C@H]1C[NH3+] ZINC000415752653 563794654 /nfs/dbraw/zinc/79/46/54/563794654.db2.gz FCEOYRKPHZMIQD-DOMZBBRYSA-N 1 0 392.301 3.226 20 0 GFADRO [NH3+]C1(CNC(=O)Nc2cc(Cl)ccc2I)CCC1 ZINC000415760140 563795031 /nfs/dbraw/zinc/79/50/31/563795031.db2.gz RPFMODUBLFBFIY-UHFFFAOYSA-N 1 0 379.629 2.948 20 0 GFADRO COc1cc(I)ccc1NC(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000415767661 563795600 /nfs/dbraw/zinc/79/56/00/563795600.db2.gz AXYNKZWYANEFSQ-KOLCDFICSA-N 1 0 389.237 2.549 20 0 GFADRO C[C@H](CCCC[NH3+])NC(=O)C(=O)Nc1cccc(Cl)c1Br ZINC000415779630 563796211 /nfs/dbraw/zinc/79/62/11/563796211.db2.gz LAWRQGGIFWIVBP-SECBINFHSA-N 1 0 376.682 2.675 20 0 GFADRO COc1cc(I)ccc1NC(=O)N[C@H](C)CCC[NH3+] ZINC000415775281 563796288 /nfs/dbraw/zinc/79/62/88/563796288.db2.gz SOGHTHZOATUYIC-SECBINFHSA-N 1 0 377.226 2.549 20 0 GFADRO O=C(NCCC[C@H]1CCC[NH2+]1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000415801179 563796916 /nfs/dbraw/zinc/79/69/16/563796916.db2.gz GBAPDBDVLHZEKP-LLVKDONJSA-N 1 0 377.794 2.946 20 0 GFADRO O=C(NCCC[C@@H]1CCC[NH2+]1)C(=O)Nc1cccc(Cl)c1Br ZINC000415804375 563796974 /nfs/dbraw/zinc/79/69/74/563796974.db2.gz LTKHOMZQBPXJLS-JTQLQIEISA-N 1 0 388.693 2.689 20 0 GFADRO [NH3+]C[C@H](NC(=O)C(=O)Nc1cc(Cl)cc(Br)c1)C1CCCC1 ZINC000415824518 563798223 /nfs/dbraw/zinc/79/82/23/563798223.db2.gz VTZZJCLQCSXFGB-ZDUSSCGKSA-N 1 0 388.693 2.675 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)C(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000415825887 563798493 /nfs/dbraw/zinc/79/84/93/563798493.db2.gz ZFMGPYLVPOVCHR-UONOGXRCSA-N 1 0 394.313 2.544 20 0 GFADRO [NH3+]CC[C@@H](NC(=O)C(=O)Nc1cc(Cl)ccc1C(F)(F)F)C(F)(F)F ZINC000415833517 563799091 /nfs/dbraw/zinc/79/90/91/563799091.db2.gz KFWKIOKUJRYBFU-SECBINFHSA-N 1 0 391.699 2.693 20 0 GFADRO C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)C[C@@H]1C[NH3+] ZINC000415841154 563799161 /nfs/dbraw/zinc/79/91/61/563799161.db2.gz GMPOTQCVJQSWTP-ZJUUUORDSA-N 1 0 377.794 2.741 20 0 GFADRO O[C@@H](COc1ccc(Cl)cc1Cl)CN1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000366096848 563799253 /nfs/dbraw/zinc/79/92/53/563799253.db2.gz NYNKPWVRPSIEJH-HUUCEWRRSA-N 1 0 391.364 2.856 20 0 GFADRO [NH3+]CC[C@H](NC(=O)C(=O)Nc1ccc(Cl)cc1C(F)(F)F)C(F)(F)F ZINC000415850092 563799456 /nfs/dbraw/zinc/79/94/56/563799456.db2.gz ZRBLTFUMXXHGNK-VIFPVBQESA-N 1 0 391.699 2.693 20 0 GFADRO CC(C)c1cc(Br)ccc1NC(=O)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000415863762 563799605 /nfs/dbraw/zinc/79/96/05/563799605.db2.gz GXELOAZJRAGGJS-CHWSQXEVSA-N 1 0 394.313 2.579 20 0 GFADRO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)C[C@@]1(C)C[NH3+] ZINC000415861659 563799728 /nfs/dbraw/zinc/79/97/28/563799728.db2.gz JEPFASXZQHRGPB-RFAUZJTJSA-N 1 0 377.794 2.741 20 0 GFADRO [NH3+]CC[C@@H](NC(=O)C(=O)Nc1ncc(C2CCCCC2)s1)C(F)(F)F ZINC000415846584 563799754 /nfs/dbraw/zinc/79/97/54/563799754.db2.gz WEHBWVUBPBGMKA-LLVKDONJSA-N 1 0 378.420 2.525 20 0 GFADRO [NH3+]CC[C@H](NC(=O)C(=O)Nc1cc(Cl)cc(C(F)(F)F)c1)C(F)(F)F ZINC000415845354 563799825 /nfs/dbraw/zinc/79/98/25/563799825.db2.gz UVGWMYMROSVWHE-VIFPVBQESA-N 1 0 391.699 2.693 20 0 GFADRO Cc1nc2cc(Cl)c(NC(=O)C(=O)NCCC3=CC[NH2+]CC3)cc2s1 ZINC000415876862 563800191 /nfs/dbraw/zinc/80/01/91/563800191.db2.gz JFNCDEQMGRNGCJ-UHFFFAOYSA-N 1 0 378.885 2.623 20 0 GFADRO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]C[C@@H]1CN2CCC[C@@H]2CO1 ZINC000366220274 563802089 /nfs/dbraw/zinc/80/20/89/563802089.db2.gz UJTCHIRNSGUNLK-KBRIMQKVSA-N 1 0 396.329 2.619 20 0 GFADRO [NH3+]CC[C@H](NC(=O)N[C@@H]1CCOc2ccc(Br)cc21)C(F)(F)F ZINC000415993485 563802107 /nfs/dbraw/zinc/80/21/07/563802107.db2.gz JFFRVILSPPCBIG-PWSUYJOCSA-N 1 0 396.207 2.852 20 0 GFADRO [NH3+]CC[C@@H](NC(=O)N[C@@H]1C[C@H]1c1ccccc1Br)C(F)(F)F ZINC000416041385 563803970 /nfs/dbraw/zinc/80/39/70/563803970.db2.gz IOFOPKXTLHYBBP-MVWJERBFSA-N 1 0 380.208 2.884 20 0 GFADRO Cc1ccc(Br)c(C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)c1 ZINC000366288045 563803961 /nfs/dbraw/zinc/80/39/61/563803961.db2.gz IOCDIICOWICXKJ-CQSZACIVSA-N 1 0 380.330 2.656 20 0 GFADRO O=S(=O)(c1cc(Cl)c(Br)cc1F)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000366289755 563803988 /nfs/dbraw/zinc/80/39/88/563803988.db2.gz SIGGDRPZBBVBLD-PRHODGIISA-N 1 0 397.697 2.614 20 0 GFADRO CCCC[N@H+](C)C[C@@H](C)Nc1cnn(-c2ccccn2)c(=O)c1Br ZINC000293250598 563805525 /nfs/dbraw/zinc/80/55/25/563805525.db2.gz ZTZOFRVMYJVESH-CYBMUJFWSA-N 1 0 394.317 2.922 20 0 GFADRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)NCc1cn2cc(Br)ccc2n1 ZINC000443622316 563808775 /nfs/dbraw/zinc/80/87/75/563808775.db2.gz BITYOLPRWIZOOE-SWLSCSKDSA-N 1 0 394.317 2.578 20 0 GFADRO C[N@@H+]1CC[C@@]2(CCN(C(=O)c3ccn(-c4ccc(Br)cc4)n3)C2)C1 ZINC000293368206 563810148 /nfs/dbraw/zinc/81/01/48/563810148.db2.gz NCQUBBIZEIKZHA-GOSISDBHSA-N 1 0 389.297 2.803 20 0 GFADRO Cc1c(C(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)cnn1-c1cccc(Br)c1 ZINC000293392611 563811015 /nfs/dbraw/zinc/81/10/15/563811015.db2.gz MAIMNFRPFHPVHN-DYVFJYSZSA-N 1 0 389.297 2.767 20 0 GFADRO C[C@@H](NC(=O)N1CC[N@@H+](C[C@H](C)O)[C@H](C)C1)c1ccc(Br)s1 ZINC000443741053 563811128 /nfs/dbraw/zinc/81/11/28/563811128.db2.gz AWFMQJVESSVCFR-GRYCIOLGSA-N 1 0 390.347 2.668 20 0 GFADRO COc1cc(Br)ccc1C(=O)N1CC[C@H](OCC[NH+]2CCCC2)C1 ZINC000443876242 563813371 /nfs/dbraw/zinc/81/33/71/563813371.db2.gz KMMYEWUDVIROIB-HNNXBMFYSA-N 1 0 397.313 2.785 20 0 GFADRO O=C(CCC[S@](=O)c1ccc(Br)cc1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000293462466 563813612 /nfs/dbraw/zinc/81/36/12/563813612.db2.gz QCYAPYBYDZPTCL-BSGVFPLJSA-N 1 0 399.354 2.547 20 0 GFADRO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)CCOc1cccc(Cl)c1Cl ZINC000416296202 563813755 /nfs/dbraw/zinc/81/37/55/563813755.db2.gz NLOLOLSRJPNDKE-CHWSQXEVSA-N 1 0 375.296 2.676 20 0 GFADRO O=C(N[C@H]1CC12CC[NH2+]CC2)[C@@H]1CCN(c2cc(Cl)ccc2Cl)C1=O ZINC000366577626 563814340 /nfs/dbraw/zinc/81/43/40/563814340.db2.gz YTAMBSKXHAESRL-WFASDCNBSA-N 1 0 382.291 2.605 20 0 GFADRO C[N@@H+]1CC[C@]2(CCN(C(=O)Nc3ccc([S@@](=O)C(F)(F)F)cc3)C2)C1 ZINC000366603048 563815148 /nfs/dbraw/zinc/81/51/48/563815148.db2.gz PBLPFMYQIMWLAG-ODCWNRFASA-N 1 0 375.416 2.874 20 0 GFADRO O=S(=O)(CCN1CC[C@H]([C@H]2CCOC2)C1)c1cccc(Br)c1 ZINC000366658384 563817212 /nfs/dbraw/zinc/81/72/12/563817212.db2.gz SUVFWNSURNDWCN-KBPBESRZSA-N 1 0 388.327 2.581 20 0 GFADRO COc1cc(OC)c(S(=O)(=O)NC2CC[NH+](CC3CC3)CC2)cc1Cl ZINC000416366753 563818316 /nfs/dbraw/zinc/81/83/16/563818316.db2.gz DCXYKTOZJMENJM-UHFFFAOYSA-N 1 0 388.917 2.510 20 0 GFADRO CC[N@H+](Cc1cc(I)c(OC)c(OC)c1)[C@@H](C)CO ZINC000293567269 563818720 /nfs/dbraw/zinc/81/87/20/563818720.db2.gz GPIZVOXAVUEQIJ-JTQLQIEISA-N 1 0 379.238 2.511 20 0 GFADRO COc1ccc(CC[NH2+][C@H]2CCCC[C@@H]2S(C)(=O)=O)c(Cl)c1OC ZINC000293566251 563818856 /nfs/dbraw/zinc/81/88/56/563818856.db2.gz AXWHZXAZYLYRQO-ZFWWWQNUSA-N 1 0 375.918 2.845 20 0 GFADRO CCOC(=O)C1(NC(=O)CCc2cccc(Br)c2)CC[NH+](C)CC1 ZINC000366775801 563819189 /nfs/dbraw/zinc/81/91/89/563819189.db2.gz HSLKWZZGCDXIAA-UHFFFAOYSA-N 1 0 397.313 2.525 20 0 GFADRO C[C@H](NC(=O)N1CCC([N@H+](C)CCO)CC1)c1ccc(Br)s1 ZINC000444109282 563822020 /nfs/dbraw/zinc/82/20/20/563822020.db2.gz ZWORXRDBJBDURB-NSHDSACASA-N 1 0 390.347 2.670 20 0 GFADRO COc1cc(OC)c(S(=O)(=O)N2CC[C@H]([NH+]3CCCCC3)C2)cc1Cl ZINC000416392564 563822428 /nfs/dbraw/zinc/82/24/28/563822428.db2.gz SXAIOBKXPIVLJF-ZDUSSCGKSA-N 1 0 388.917 2.606 20 0 GFADRO C[C@@H]1[C@H]([N@H+](C)CCO)CCN1C(=O)c1cc2c(cc(Br)cc2F)[nH]1 ZINC000293797156 563824102 /nfs/dbraw/zinc/82/41/02/563824102.db2.gz XWYIYWVOBQSLOG-QLJPJBMISA-N 1 0 398.276 2.597 20 0 GFADRO CCCS(=O)(=O)Nc1ccc(NC(=O)[C@]2([NH+](C)C)CCCSC2)cc1 ZINC000366911332 563824568 /nfs/dbraw/zinc/82/45/68/563824568.db2.gz FZSNZAAGAZZZGL-KRWDZBQOSA-N 1 0 385.555 2.604 20 0 GFADRO COC(=O)c1c(Cl)cccc1S(=O)(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000416451485 563829830 /nfs/dbraw/zinc/82/98/30/563829830.db2.gz BIVVSGLZMHYKRB-UHFFFAOYSA-N 1 0 388.917 2.527 20 0 GFADRO C[C@H](Sc1nc2ccccc2s1)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000367149852 563833205 /nfs/dbraw/zinc/83/32/05/563833205.db2.gz ZGOJXBBOJDVVHK-BFHYXJOUSA-N 1 0 377.535 2.756 20 0 GFADRO NS(=O)(=O)c1ccc(NCC2CC[NH+](C3CC3)CC2)cc1C(F)(F)F ZINC000444867058 563838239 /nfs/dbraw/zinc/83/82/39/563838239.db2.gz CLGDGZGMDDAKPP-UHFFFAOYSA-N 1 0 377.432 2.639 20 0 GFADRO C[C@H]1C[C@@H](NC(=O)Nc2cc(Br)cnc2-n2cccn2)CC[N@@H+]1C ZINC000444927822 563839870 /nfs/dbraw/zinc/83/98/70/563839870.db2.gz DQUZPCYNBCHJQE-AAEUAGOBSA-N 1 0 393.289 2.634 20 0 GFADRO COc1cc(Cl)c(S(=O)(=O)NCCCC[N@H+](C)C2CC2)cc1OC ZINC000416509463 563840911 /nfs/dbraw/zinc/84/09/11/563840911.db2.gz UQWFPGFUHUUONN-UHFFFAOYSA-N 1 0 376.906 2.510 20 0 GFADRO CC[NH+](CC)CCSCC(=O)N[C@@H]1CCC(=O)N(C)[C@H]1c1cccs1 ZINC000367509756 563847061 /nfs/dbraw/zinc/84/70/61/563847061.db2.gz IGXZMOKAIXTHDQ-RDTXWAMCSA-N 1 0 383.583 2.601 20 0 GFADRO O=C(CCc1cccc(F)c1Br)NCCCC[NH+]1CCOCC1 ZINC000294667359 563849791 /nfs/dbraw/zinc/84/97/91/563849791.db2.gz ZRNOYKHBSFQWJT-UHFFFAOYSA-N 1 0 387.293 2.749 20 0 GFADRO COCc1ncc(C(=O)N[C@@H]2CC[N@H+](Cc3cnc(C)s3)C[C@@H]2C)s1 ZINC000367614230 563850401 /nfs/dbraw/zinc/85/04/01/563850401.db2.gz FXFFSIXWEZEAOQ-SMDDNHRTSA-N 1 0 380.539 2.695 20 0 GFADRO CO[C@@H]1[C@H](C)[C@@H]([NH2+]C[C@H]2CCN(S(=O)(=O)c3cccs3)C2)C12CCC2 ZINC000367615457 563850556 /nfs/dbraw/zinc/85/05/56/563850556.db2.gz KSXCHKOBMJSIKR-MUIFIZLQSA-N 1 0 384.567 2.552 20 0 GFADRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2Cc2ncc(I)s2)C1 ZINC000367710152 563853011 /nfs/dbraw/zinc/85/30/11/563853011.db2.gz YORNUUOUTDTHJN-QWRGUYRKSA-N 1 0 377.295 2.664 20 0 GFADRO COC[C@](C)(CC(=O)OC)[NH2+]CCOc1cc(F)cc(Br)c1 ZINC000445819167 563854209 /nfs/dbraw/zinc/85/42/09/563854209.db2.gz ODYGJZLCKGOHHY-HNNXBMFYSA-N 1 0 378.238 2.525 20 0 GFADRO CC(C)C[C@@H](C[NH+](C)C)NC(=O)[C@@H]1CC(=O)Nc2ccc(Br)cc21 ZINC000446019290 563856972 /nfs/dbraw/zinc/85/69/72/563856972.db2.gz IMKMWZWLZLIFML-DZGCQCFKSA-N 1 0 396.329 2.967 20 0 GFADRO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)Cc1cc[nH]c(=O)c1Br ZINC000446094607 563858498 /nfs/dbraw/zinc/85/84/98/563858498.db2.gz JCHRVUIROFDFNX-AWEZNQCLSA-N 1 0 384.318 2.863 20 0 GFADRO COC(=O)c1ccc(S(=O)(=O)N(C)C(C)(C)C[NH+]2CCCC2)c(Cl)c1 ZINC000416660079 563859022 /nfs/dbraw/zinc/85/90/22/563859022.db2.gz JRWBEKVGKLRZCN-UHFFFAOYSA-N 1 0 388.917 2.622 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)N1C[C@H](C)[N@@H+](CCO)C[C@@H]1C ZINC000416760071 563860753 /nfs/dbraw/zinc/86/07/53/563860753.db2.gz IGVKSDXZUGZDJR-KBPBESRZSA-N 1 0 384.318 2.985 20 0 GFADRO CCC([NH3+])(CC)CNC(=O)NCC(=O)Nc1ccc(Br)cc1C ZINC000416822466 563861853 /nfs/dbraw/zinc/86/18/53/563861853.db2.gz FWLKFEZWTSVEIM-UHFFFAOYSA-N 1 0 385.306 2.513 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2Cc1nc2ccccn2c1Br ZINC000368026013 563861970 /nfs/dbraw/zinc/86/19/70/563861970.db2.gz ZKGAQXCFYOHNED-FVQBIDKESA-N 1 0 393.329 2.780 20 0 GFADRO COc1ccc([C@@H](C)NC(=O)N[C@@H]2C[NH2+]CCC2(F)F)cc1Br ZINC000416885728 563862570 /nfs/dbraw/zinc/86/25/70/563862570.db2.gz FVEZTQKRBOGLPK-NOZJJQNGSA-N 1 0 392.244 2.815 20 0 GFADRO COc1cc(Br)c(CNC(=O)[C@@H]2C[C@H]2C2CC[NH2+]CC2)cc1OC ZINC000368114191 563864652 /nfs/dbraw/zinc/86/46/52/563864652.db2.gz WQTRHRNNEWFRQW-UONOGXRCSA-N 1 0 397.313 2.718 20 0 GFADRO O=C(N[C@@H]1CC12CC[NH2+]CC2)c1nn(-c2ccc(F)cc2)cc1Br ZINC000368138055 563864954 /nfs/dbraw/zinc/86/49/54/563864954.db2.gz DTJQICZCDBTYSL-CQSZACIVSA-N 1 0 393.260 2.646 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)c2cc(I)ccc2Cl)CC[NH2+]1 ZINC000447510327 563882347 /nfs/dbraw/zinc/88/23/47/563882347.db2.gz IHCZQVHHHXBUIJ-PSASIEDQSA-N 1 0 378.641 2.815 20 0 GFADRO COC[C@@]1(CNC(=O)NCC(C)(C)c2ccc(Br)cc2)CCC[NH2+]1 ZINC000417127724 563868665 /nfs/dbraw/zinc/86/86/65/563868665.db2.gz RPYNBZIRSIGJFT-SFHVURJKSA-N 1 0 398.345 2.795 20 0 GFADRO C[C@H](NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1ccc(Br)cc1F ZINC000446820113 563869440 /nfs/dbraw/zinc/86/94/40/563869440.db2.gz YIDRAKSEQBADMN-QWHCGFSZSA-N 1 0 386.309 2.826 20 0 GFADRO C[C@H](NC(=O)NC1CCC([NH3+])CC1)c1cc2c(cc1Br)OCCO2 ZINC000417175511 563870344 /nfs/dbraw/zinc/87/03/44/563870344.db2.gz JNPPETTZTVVWHW-UNXYVOJBSA-N 1 0 398.301 2.850 20 0 GFADRO CCC[NH2+]CCNC(=O)N[C@H](C)c1cc2c(cc1Br)OCCO2 ZINC000417181788 563870804 /nfs/dbraw/zinc/87/08/04/563870804.db2.gz PZQJHHGTHSUUJX-LLVKDONJSA-N 1 0 386.290 2.580 20 0 GFADRO C[C@@H](NC(=O)N[C@H]1CC[NH2+][C@H](C)C1)c1cc2c(cc1Br)OCCO2 ZINC000417187599 563871729 /nfs/dbraw/zinc/87/17/29/563871729.db2.gz WMUKHVOJPBSBGY-UTUOFQBUSA-N 1 0 398.301 2.721 20 0 GFADRO C[C@H](NC(=O)N1CC[NH2+][C@H](C)[C@H]1C)c1cc2c(cc1Br)OCCO2 ZINC000417189721 563871970 /nfs/dbraw/zinc/87/19/70/563871970.db2.gz YXMZMAZHUAFLBW-GRYCIOLGSA-N 1 0 398.301 2.673 20 0 GFADRO C[C@H]1CCN(C(=O)NCCC(=O)Nc2ccc(Br)cc2)[C@@H](C[NH3+])C1 ZINC000417225284 563874010 /nfs/dbraw/zinc/87/40/10/563874010.db2.gz NOCVISQYLOWRQZ-SWLSCSKDSA-N 1 0 397.317 2.547 20 0 GFADRO CCC[C@@H]1C[NH2+]CCN1C(=O)NCCC(=O)Nc1ccc(Br)cc1 ZINC000417224503 563874262 /nfs/dbraw/zinc/87/42/62/563874262.db2.gz MQLYSBQJHPWDKJ-OAHLLOKOSA-N 1 0 397.317 2.561 20 0 GFADRO CCCC[C@H](C[NH3+])NC(=O)NCCC(=O)Nc1ccc(Br)cc1 ZINC000417227463 563874675 /nfs/dbraw/zinc/87/46/75/563874675.db2.gz PXPWVWJKVQWTAH-CQSZACIVSA-N 1 0 385.306 2.594 20 0 GFADRO CCCn1cc(C[NH2+][C@H]2CCN(c3cccc(Br)c3)C2=O)cn1 ZINC000447098083 563874810 /nfs/dbraw/zinc/87/48/10/563874810.db2.gz NKVCTMLWHZIFTG-INIZCTEOSA-N 1 0 377.286 2.951 20 0 GFADRO O=S(=O)(N[C@H]1CC12CC[NH2+]CC2)c1cccc(Cl)c1Br ZINC000368632801 563876589 /nfs/dbraw/zinc/87/65/89/563876589.db2.gz LUSPOYZFEQPDFP-NSHDSACASA-N 1 0 379.707 2.523 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)NCc1cc(Br)c2c(c1)OCCO2 ZINC000417295531 563877713 /nfs/dbraw/zinc/87/77/13/563877713.db2.gz FACCMLPWSHKDKX-FZMZJTMJSA-N 1 0 398.301 2.632 20 0 GFADRO C[C@H](NC(=O)N1C[C@H](C[NH3+])C2(C1)CCOCC2)c1ccc(Br)cc1 ZINC000417303398 563877800 /nfs/dbraw/zinc/87/78/00/563877800.db2.gz DGVSAVFYMWORFY-ZFWWWQNUSA-N 1 0 396.329 2.907 20 0 GFADRO Cc1cc(Br)cc(C)c1S(=O)(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000447253189 563878421 /nfs/dbraw/zinc/87/84/21/563878421.db2.gz WSDDXDSUTLWOLJ-CFVMTHIKSA-N 1 0 387.343 2.814 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000417369349 563878759 /nfs/dbraw/zinc/87/87/59/563878759.db2.gz QXXARNKGPYQDQT-GXTWGEPZSA-N 1 0 397.317 2.513 20 0 GFADRO O=C(NCc1cc(Br)ccc1OC(F)F)NCC1=CC[NH2+]CC1 ZINC000417403792 563879347 /nfs/dbraw/zinc/87/93/47/563879347.db2.gz GRWSRQWEMUBCIU-UHFFFAOYSA-N 1 0 390.228 2.769 20 0 GFADRO COC[C@H](C)OC[C@@H](O)C[N@H+]1CC=C(c2cccc(Br)c2)CC1 ZINC000447295822 563879523 /nfs/dbraw/zinc/87/95/23/563879523.db2.gz MNZYQLKYDUPMAQ-KSSFIOAISA-N 1 0 384.314 2.951 20 0 GFADRO [NH3+]C[C@@H](NC(=O)N[C@@H]1CCN(c2ccc(Br)cc2)C1)C1CCCC1 ZINC000417484820 563880944 /nfs/dbraw/zinc/88/09/44/563880944.db2.gz VOFSVUVERCYWEN-NVXWUHKLSA-N 1 0 395.345 2.845 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000417494942 563881140 /nfs/dbraw/zinc/88/11/40/563881140.db2.gz YVWOKJVGMQAUKU-GXTWGEPZSA-N 1 0 397.317 2.513 20 0 GFADRO O=C1C[C@H]([C@H]2CCCC[N@H+]2CCOc2cc(F)cc(Br)c2)CN1 ZINC000368883253 563881298 /nfs/dbraw/zinc/88/12/98/563881298.db2.gz YDEWAWZPFWQZGV-BLLLJJGKSA-N 1 0 385.277 2.958 20 0 GFADRO Cc1c(Br)cccc1NC(=O)C(=O)NCC[N@@H+]1CCCC(C)(C)C1 ZINC000447425134 563881571 /nfs/dbraw/zinc/88/15/71/563881571.db2.gz AIAAEDRCQHNSHC-UHFFFAOYSA-N 1 0 396.329 2.934 20 0 GFADRO CO[C@@H](C[NH3+])CC(=O)NCC1(c2ccc(Cl)cc2Cl)CCOCC1 ZINC000447441585 563881768 /nfs/dbraw/zinc/88/17/68/563881768.db2.gz PNBAGYQTDVTBFT-CYBMUJFWSA-N 1 0 375.296 2.522 20 0 GFADRO C[C@H](CO)[N@@H+]1CCCN(C(=O)[C@H](C)Oc2cccc(Cl)c2Cl)CC1 ZINC000368959596 563882652 /nfs/dbraw/zinc/88/26/52/563882652.db2.gz XDJAMHPGHNTCNM-OLZOCXBDSA-N 1 0 375.296 2.676 20 0 GFADRO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NCc1ccc(S(C)(=O)=O)c(C(F)(F)F)c1 ZINC000447556122 563882778 /nfs/dbraw/zinc/88/27/78/563882778.db2.gz FBSXEROLLYAINV-LALPHHSUSA-N 1 0 378.460 2.927 20 0 GFADRO O=C(CC[N@@H+]1CC[C@H](NC(=O)C2CCC2)C1)Nc1ccc(Br)cc1 ZINC000369069083 563886145 /nfs/dbraw/zinc/88/61/45/563886145.db2.gz YOVQOMKCIQYMJP-INIZCTEOSA-N 1 0 394.313 2.768 20 0 GFADRO C[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CCCN(c3ccc(Br)cn3)C2)C1 ZINC000369085568 563886824 /nfs/dbraw/zinc/88/68/24/563886824.db2.gz UTSNWISJRYHFMB-GOEBONIOSA-N 1 0 395.345 2.613 20 0 GFADRO O=C(N[C@@H]1CCc2c1ccc(Cl)c2Cl)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000417712900 563887505 /nfs/dbraw/zinc/88/75/05/563887505.db2.gz XSXGXWFDBNKTMD-BLLLJJGKSA-N 1 0 383.323 2.670 20 0 GFADRO O=C(NCCCc1ccc(Br)cc1F)N[C@@H]1C[NH2+]CCC1(F)F ZINC000417681284 563887525 /nfs/dbraw/zinc/88/75/25/563887525.db2.gz PUTFWQHWQBXVOB-CYBMUJFWSA-N 1 0 394.235 2.817 20 0 GFADRO C[C@@H]1CN(C(=O)NCCOc2ncc(C(F)(F)F)cc2Cl)CC[C@H]1[NH3+] ZINC000417738329 563887966 /nfs/dbraw/zinc/88/79/66/563887966.db2.gz OYBNPSOPJNOERE-BXKDBHETSA-N 1 0 380.798 2.511 20 0 GFADRO CC[C@H](NC(=O)N1CC[C@@H](OC)C[C@@H]1C[NH3+])c1nc(C(F)(F)F)cs1 ZINC000417787988 563889245 /nfs/dbraw/zinc/88/92/45/563889245.db2.gz SOEKOCNDGCJEAE-MXWKQRLJSA-N 1 0 380.436 2.761 20 0 GFADRO O=S(=O)(NCC1CC[NH+](C2CC2)CC1)c1ccc(C(F)(F)F)c(F)c1 ZINC000447871958 563889697 /nfs/dbraw/zinc/88/96/97/563889697.db2.gz CDFBNJUTDYXQPO-UHFFFAOYSA-N 1 0 380.407 2.997 20 0 GFADRO C[C@@H](CNC(=O)NCCC1=CC[NH2+]CC1)Oc1cccc(Br)c1 ZINC000417795996 563889739 /nfs/dbraw/zinc/88/97/39/563889739.db2.gz PBYBOGCYTHDDEW-ZDUSSCGKSA-N 1 0 382.302 2.825 20 0 GFADRO O=C(NCCOc1c(Cl)cc(Cl)cc1Cl)NC[C@H]1C[NH2+]CCCO1 ZINC000417825332 563889888 /nfs/dbraw/zinc/88/98/88/563889888.db2.gz BBXYTHCGLHUGSE-LLVKDONJSA-N 1 0 396.702 2.703 20 0 GFADRO CC[C@@H]([NH3+])CNC(=O)N[C@@H](C)c1nc(-c2ccc(Br)cc2)no1 ZINC000417898890 563890769 /nfs/dbraw/zinc/89/07/69/563890769.db2.gz SALZMOJJAWBNHQ-JOYOIKCWSA-N 1 0 382.262 2.597 20 0 GFADRO CC[NH2+]CC1CCN(C(=O)NCCOc2ncc(Cl)cc2Cl)CC1 ZINC000417894736 563891034 /nfs/dbraw/zinc/89/10/34/563891034.db2.gz TXZFJAWTFKHWPD-UHFFFAOYSA-N 1 0 375.300 2.798 20 0 GFADRO CO[C@H]1CCN(C(=O)NCC(C)(C)c2ccccc2Br)[C@H](C[NH3+])C1 ZINC000417906615 563891603 /nfs/dbraw/zinc/89/16/03/563891603.db2.gz CIBDVCNOAIIZQO-KBPBESRZSA-N 1 0 398.345 2.874 20 0 GFADRO C[N@@H+]1CCCC(C)(C)[C@H]1CNS(=O)(=O)c1ccc(OCC(F)F)cc1 ZINC000447941247 563891670 /nfs/dbraw/zinc/89/16/70/563891670.db2.gz KDISYHMNXQQIFA-OAHLLOKOSA-N 1 0 376.469 2.729 20 0 GFADRO O=C(Cc1ccc(Br)s1)NC[C@@H]1CCC[C@H]1[NH+]1CCOCC1 ZINC000369335226 563892689 /nfs/dbraw/zinc/89/26/89/563892689.db2.gz ODWUIEXCJJAPGF-GXTWGEPZSA-N 1 0 387.343 2.670 20 0 GFADRO CO[C@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)NC1(C)CC[NH2+]CC1 ZINC000417971391 563892710 /nfs/dbraw/zinc/89/27/10/563892710.db2.gz AYXBJKGOAMVQME-DOMZBBRYSA-N 1 0 384.318 2.966 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)N[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)CC[NH2+]1 ZINC000417977487 563893622 /nfs/dbraw/zinc/89/36/22/563893622.db2.gz CBWJEQBHQYJNEU-JRPNMDOOSA-N 1 0 385.295 2.538 20 0 GFADRO CS(=O)(=O)CCCCC[NH2+]Cc1ccc(F)cc1I ZINC000417997587 563894022 /nfs/dbraw/zinc/89/40/22/563894022.db2.gz SDMRVVQOPAVUDA-UHFFFAOYSA-N 1 0 399.269 2.735 20 0 GFADRO CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000418000605 563894653 /nfs/dbraw/zinc/89/46/53/563894653.db2.gz WUFAOFKYKWLERE-KNPMLCFXSA-N 1 0 384.318 2.822 20 0 GFADRO CCNC(=O)C1(C[NH2+]Cc2ccc(F)cc2I)CCC1 ZINC000418023004 563895651 /nfs/dbraw/zinc/89/56/51/563895651.db2.gz BIOBFAMUHJNUHX-UHFFFAOYSA-N 1 0 390.240 2.826 20 0 GFADRO CCCOC[C@H](Cc1cccc(Br)c1)NC(=O)N[C@H](C)[C@H](C)[NH3+] ZINC000418024176 563896117 /nfs/dbraw/zinc/89/61/17/563896117.db2.gz DBCFHBOATZBGDH-ZENOOKHLSA-N 1 0 386.334 2.822 20 0 GFADRO CO[C@H]1COCC[C@H]1C[NH2+]Cc1ccc(F)cc1I ZINC000418074149 563897786 /nfs/dbraw/zinc/89/77/86/563897786.db2.gz NDNQNCPJVIAWCG-FZMZJTMJSA-N 1 0 379.213 2.571 20 0 GFADRO CCn1c(CNC(=O)N[C@H]2C[NH2+]CC[C@H]2C)nc2cc(Br)ccc21 ZINC000418072936 563897797 /nfs/dbraw/zinc/89/77/97/563897797.db2.gz YXYACNDOKQHCIK-RISCZKNCSA-N 1 0 394.317 2.616 20 0 GFADRO CCn1c(CNC(=O)N2CCCC[C@@H]2C[NH3+])nc2cc(Br)ccc21 ZINC000418072922 563897833 /nfs/dbraw/zinc/89/78/33/563897833.db2.gz YXDNXRQZVOSPGJ-CYBMUJFWSA-N 1 0 394.317 2.842 20 0 GFADRO CC[NH+](CC)CCCNC(=O)c1ccc(I)cc1F ZINC000448566707 563898121 /nfs/dbraw/zinc/89/81/21/563898121.db2.gz TZSUFKIJDNNCDN-UHFFFAOYSA-N 1 0 378.229 2.892 20 0 GFADRO CC(C)C[C@H](C[NH3+])NC(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000418094425 563898490 /nfs/dbraw/zinc/89/84/90/563898490.db2.gz IDMXHOJZVDSYRY-HUUCEWRRSA-N 1 0 383.334 2.700 20 0 GFADRO COCC1(CNC(=O)N[C@@H](C)c2nc(C(F)(F)F)cs2)CC[NH2+]CC1 ZINC000418096486 563898647 /nfs/dbraw/zinc/89/86/47/563898647.db2.gz MPEDLEMFPJNKFR-JTQLQIEISA-N 1 0 380.436 2.538 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)CNC(=O)Nc1cccc(Cl)c1)c1cccs1 ZINC000448584520 563898820 /nfs/dbraw/zinc/89/88/20/563898820.db2.gz FCGWHKZAAUDQKT-AWEZNQCLSA-N 1 0 380.901 2.942 20 0 GFADRO C[C@@H](CCCC[NH3+])NC(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000418106812 563898895 /nfs/dbraw/zinc/89/88/95/563898895.db2.gz YBWKJWOJWWTRBP-DZGCQCFKSA-N 1 0 383.334 2.845 20 0 GFADRO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1Cc1ccnc2c(Br)cccc12 ZINC000418109506 563898958 /nfs/dbraw/zinc/89/89/58/563898958.db2.gz IKYYNLKFGTYDGB-KBPBESRZSA-N 1 0 378.314 2.884 20 0 GFADRO [NH3+]CC[C@@H]1CCCN(C(=O)N[C@H]2COc3cc(F)c(Br)cc32)C1 ZINC000418170232 563900290 /nfs/dbraw/zinc/90/02/90/563900290.db2.gz ZCESZVULWWMBGA-HZMBPMFUSA-N 1 0 386.265 2.792 20 0 GFADRO COc1cc(Br)c(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1OC ZINC000448727019 563900399 /nfs/dbraw/zinc/90/03/99/563900399.db2.gz VZICYBUQPFBBEN-NEPJUHHUSA-N 1 0 383.286 2.823 20 0 GFADRO CO[C@@H]1CCN(C(=O)N[C@@H](C)c2ccc(Br)cc2F)[C@H](C[NH3+])C1 ZINC000418178151 563900744 /nfs/dbraw/zinc/90/07/44/563900744.db2.gz FDOCFEGVEVKXDD-WCFLWFBJSA-N 1 0 388.281 2.797 20 0 GFADRO Cc1cc(Br)cc(C)c1N1CCC[C@H](NC(=O)N[C@H](C)C[NH3+])C1 ZINC000418179973 563900768 /nfs/dbraw/zinc/90/07/68/563900768.db2.gz KFUUHEAEDUKKTN-HIFRSBDPSA-N 1 0 383.334 2.681 20 0 GFADRO O=C(NCc1cc(F)c(F)cc1Br)N[C@H]1C[NH2+]CCC1(F)F ZINC000418173462 563900780 /nfs/dbraw/zinc/90/07/80/563900780.db2.gz CJFNRMXCSURVJH-NSHDSACASA-N 1 0 384.171 2.524 20 0 GFADRO O[C@H](C[NH2+]Cc1cccc(F)c1Br)COc1ccc2c(c1)OCO2 ZINC000449096404 563906619 /nfs/dbraw/zinc/90/66/19/563906619.db2.gz HJBPYCXRBQZBEK-GFCCVEGCSA-N 1 0 398.228 2.846 20 0 GFADRO C[NH+]1CCN(c2ccc(CNC(=O)c3ccsc3Br)cn2)CC1 ZINC000449208347 563908100 /nfs/dbraw/zinc/90/81/00/563908100.db2.gz SHLMBFHEACNCCB-UHFFFAOYSA-N 1 0 395.326 2.587 20 0 GFADRO CC[C@@H](CNS(C)(=O)=O)[NH2+]Cc1cc(Cl)c(C)cc1Br ZINC000449443119 564186730 /nfs/dbraw/zinc/18/67/30/564186730.db2.gz PNNXWPHNHXEFMO-NSHDSACASA-N 1 0 383.739 2.828 20 0 GFADRO CCn1cc([C@@H]2NC(=O)CC[C@H]2[NH2+]Cc2cccc(Br)c2F)cn1 ZINC000449263485 564177852 /nfs/dbraw/zinc/17/78/52/564177852.db2.gz LJQKRTAMPJJARW-PBHICJAKSA-N 1 0 395.276 2.914 20 0 GFADRO CC[NH+](CC)CC(=O)N[C@H](CO)c1ccc(Br)cc1C(F)(F)F ZINC000505139281 564178128 /nfs/dbraw/zinc/17/81/28/564178128.db2.gz MHLVSYNKEOAQAG-CYBMUJFWSA-N 1 0 397.235 2.959 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]CC1(CO)CCCC1 ZINC000449250755 564178163 /nfs/dbraw/zinc/17/81/63/564178163.db2.gz PNYCHTYXVVQIKJ-ZDUSSCGKSA-N 1 0 399.329 2.605 20 0 GFADRO C[C@H]([NH2+][C@@H](CO)c1ccc(Br)cc1)c1ccc(-n2cnnn2)cc1 ZINC000537960366 564178813 /nfs/dbraw/zinc/17/88/13/564178813.db2.gz SPFHARITGGSAOY-SJCJKPOMSA-N 1 0 388.269 2.809 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+][C@@H]1C[C@H]2OCCC[C@@H]12 ZINC000449273491 564179061 /nfs/dbraw/zinc/17/90/61/564179061.db2.gz YWKCRNCRSPTDCP-ZYIUAKIQSA-N 1 0 397.313 2.620 20 0 GFADRO CCCN(CC[NH+]1CCCCCC1)S(=O)(=O)c1csc(C(=O)OC)c1 ZINC000563240606 564181126 /nfs/dbraw/zinc/18/11/26/564181126.db2.gz MBABWRNZVDEYLW-UHFFFAOYSA-N 1 0 388.555 2.811 20 0 GFADRO OCCCN1CCC[C@@H]1C[NH2+]Cc1ccc(Br)c2cccnc12 ZINC000449384506 564182862 /nfs/dbraw/zinc/18/28/62/564182862.db2.gz BMAKKBDRRWKBBB-OAHLLOKOSA-N 1 0 378.314 2.934 20 0 GFADRO CS(=O)(=O)N1CC[C@@H]([NH2+][C@H](Cc2cccnc2)c2ccc(Cl)cc2)C1 ZINC000563263593 564183080 /nfs/dbraw/zinc/18/30/80/564183080.db2.gz HOULWQVPYUJZRK-QZTJIDSGSA-N 1 0 379.913 2.642 20 0 GFADRO COc1ccc(CC[C@@H](C)[NH2+]CCn2cc(Br)ccc2=O)cc1O ZINC000449380616 564183172 /nfs/dbraw/zinc/18/31/72/564183172.db2.gz WNZJZPYTJNWVDL-CYBMUJFWSA-N 1 0 395.297 2.936 20 0 GFADRO C[C@H](C(=O)Nc1ccc(Br)cc1)N(C)Cc1cnc(N(C)C)nc1 ZINC000505486981 564183522 /nfs/dbraw/zinc/18/35/22/564183522.db2.gz GPFGKJPKPTZVAT-GFCCVEGCSA-N 1 0 392.301 2.764 20 0 GFADRO C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+]C[C@H]1CCCN1CCCO ZINC000449389522 564184552 /nfs/dbraw/zinc/18/45/52/564184552.db2.gz SNKGMORRAHLWLD-WMLDXEAASA-N 1 0 398.345 2.603 20 0 GFADRO COc1sc(C[N@@H+]2C[C@H](O)C[C@@H]2[C@H]2CCCOC2)cc1Br ZINC000449432319 564185532 /nfs/dbraw/zinc/18/55/32/564185532.db2.gz GTSZPJIBQNXYTG-MISXGVKJSA-N 1 0 376.316 2.881 20 0 GFADRO Cc1ccc(C[N@@H+](C)CCN(C)c2ccc(S(N)(=O)=O)cc2)cc1Cl ZINC000449429970 564186107 /nfs/dbraw/zinc/18/61/07/564186107.db2.gz XYGLHRJQEGAPJC-UHFFFAOYSA-N 1 0 381.929 2.864 20 0 GFADRO C[NH+](C)CC1(CNC(=O)[C@H]2Cc3cc(Br)ccc3O2)CCCC1 ZINC000471124959 564186452 /nfs/dbraw/zinc/18/64/52/564186452.db2.gz OHGIXZJFIBFRGL-MRXNPFEDSA-N 1 0 381.314 2.991 20 0 GFADRO CCOc1c(Br)cc(C[NH2+]C[C@@H]2CCOC[C@@H]2OC)cc1OC ZINC000449455735 564186849 /nfs/dbraw/zinc/18/68/49/564186849.db2.gz LQMIPDLKTXEFGR-BBRMVZONSA-N 1 0 388.302 2.998 20 0 GFADRO O=C1C[C@H]([NH2+]C2CCN(CC(F)F)CC2)CN1c1ccc(Cl)c(F)c1 ZINC000538307090 564187283 /nfs/dbraw/zinc/18/72/83/564187283.db2.gz VCHJGQAOOJDTGW-LBPRGKRZSA-N 1 0 375.822 2.904 20 0 GFADRO CO[C@H]1COCC[C@@H]1C[NH2+]Cc1ncc(Br)cc1Br ZINC000449463507 564187943 /nfs/dbraw/zinc/18/79/43/564187943.db2.gz XBZHWVWGVQNSRG-RNCFNFMXSA-N 1 0 394.107 2.748 20 0 GFADRO CN(CCC[NH+](C)C)C(=O)C1(c2ccc(Br)cc2)CCOCC1 ZINC000538315224 564188311 /nfs/dbraw/zinc/18/83/11/564188311.db2.gz GJAOUHUNBXEVNX-UHFFFAOYSA-N 1 0 383.330 2.907 20 0 GFADRO Cc1sc(C(=O)NCC2([NH+](C)C)CCCCCC2)cc1CS(C)(=O)=O ZINC000471168684 564188409 /nfs/dbraw/zinc/18/84/09/564188409.db2.gz KFFBZYJZWMVPGH-UHFFFAOYSA-N 1 0 386.583 2.986 20 0 GFADRO COC(=O)[C@@H]1CCCC[C@@H]1[NH2+]Cc1ncc(I)s1 ZINC000449506552 564189139 /nfs/dbraw/zinc/18/91/39/564189139.db2.gz CRJSZHVYJRBCFI-BDAKNGLRSA-N 1 0 380.251 2.569 20 0 GFADRO CCN1C[C@@H]([NH2+]Cc2c(C)nn(-c3ccc(Br)cc3)c2C)CC1=O ZINC000449517106 564189938 /nfs/dbraw/zinc/18/99/38/564189938.db2.gz IXWINWFGVYEKPI-HNNXBMFYSA-N 1 0 391.313 2.962 20 0 GFADRO COc1c(C[NH2+]C[C@H](CO)Cc2ccc(C)c(Br)c2)c(C)nn1C ZINC000449599262 564190600 /nfs/dbraw/zinc/19/06/00/564190600.db2.gz KQPSMEARLIVEKG-OAHLLOKOSA-N 1 0 396.329 2.749 20 0 GFADRO Cc1ccc(C[C@@H](CO)C[NH2+]Cc2cn(C(C)C)nn2)cc1Br ZINC000449596288 564190710 /nfs/dbraw/zinc/19/07/10/564190710.db2.gz ANGYDHNTOJJGNE-OAHLLOKOSA-N 1 0 381.318 2.871 20 0 GFADRO CC(=O)N1CCC([NH2+]C[C@H](CO)Cc2ccc(C)c(Br)c2)CC1 ZINC000449596723 564190951 /nfs/dbraw/zinc/19/09/51/564190951.db2.gz CGIPJEVWFMEMGR-MRXNPFEDSA-N 1 0 383.330 2.509 20 0 GFADRO COC(=O)c1cc(C[NH2+]C[C@@H](CO)Cc2cc(Br)ccc2F)c[nH]1 ZINC000449599799 564191155 /nfs/dbraw/zinc/19/11/55/564191155.db2.gz MAISRXAAMLEYEE-LBPRGKRZSA-N 1 0 399.260 2.644 20 0 GFADRO C[C@@]1(CNC(=O)Nc2nnc(SCc3ccccc3)s2)CCC[NH2+]C1 ZINC000563436720 564191538 /nfs/dbraw/zinc/19/15/38/564191538.db2.gz LTENZCYYCQCIGS-QGZVFWFLSA-N 1 0 377.539 3.342 20 0 GFADRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)Cn2cc(Br)cn2)C1 ZINC000505925667 564193386 /nfs/dbraw/zinc/19/33/86/564193386.db2.gz WCOFFADBHGYRFI-LSDHHAIUSA-N 1 0 383.334 2.759 20 0 GFADRO CC[NH+](CC)[C@H](C)CNC(=O)c1ccc(I)c(F)c1 ZINC000471376740 564193888 /nfs/dbraw/zinc/19/38/88/564193888.db2.gz DZHZYMOZASHUNZ-SNVBAGLBSA-N 1 0 378.229 2.890 20 0 GFADRO Cc1cc(Br)cc(C[NH2+]C[C@H](C)S(C)(=O)=O)c1OC(F)F ZINC000538671374 564196096 /nfs/dbraw/zinc/19/60/96/564196096.db2.gz PPNJDRXFLNCTSI-VIFPVBQESA-N 1 0 386.258 2.882 20 0 GFADRO CC1(C)C[NH2+]CC[C@@H]1NC(=O)c1cc(-c2ccc(Br)cc2)n[nH]1 ZINC000449695516 564196838 /nfs/dbraw/zinc/19/68/38/564196838.db2.gz FHADIEJSTPFAFF-HNNXBMFYSA-N 1 0 377.286 2.957 20 0 GFADRO Cc1c(C(=O)N[C@H]2CC[C@@H](C[NH3+])C2)cnn1-c1ccc(Br)cc1 ZINC000449716070 564198167 /nfs/dbraw/zinc/19/81/67/564198167.db2.gz KFJOAOBZRCQBHQ-OCCSQVGLSA-N 1 0 377.286 2.800 20 0 GFADRO [NH3+]C[C@@H]1CC[C@H](NC(=O)C2(c3ccc(Br)cc3)CCOCC2)C1 ZINC000449719482 564198753 /nfs/dbraw/zinc/19/87/53/564198753.db2.gz QVECJPGHSVQUBT-CJNGLKHVSA-N 1 0 381.314 2.741 20 0 GFADRO [NH3+]CC[C@@H](NC(=O)[C@@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1)C(F)(F)F ZINC000449721596 564198870 /nfs/dbraw/zinc/19/88/70/564198870.db2.gz OSJHMHXIQYUNJH-PRHODGIISA-N 1 0 398.212 2.742 20 0 GFADRO CC[C@H](NC(=O)NCCOCC[NH+](C)C)c1cc(F)cc(Br)c1 ZINC000471637822 564200078 /nfs/dbraw/zinc/20/00/78/564200078.db2.gz ZYPNXVPKNWQNDT-HNNXBMFYSA-N 1 0 390.297 2.917 20 0 GFADRO C[N@H+](CCOc1ccc(S(N)(=O)=O)cc1F)Cc1cc(Cl)cs1 ZINC000449759664 564200665 /nfs/dbraw/zinc/20/06/65/564200665.db2.gz YPCIJXKSIZVFIS-UHFFFAOYSA-N 1 0 378.878 2.699 20 0 GFADRO CCS(=O)(=O)c1ccc(CNC(=O)NC[C@@H](C)[N@@H+]2CCCC[C@@H]2C)s1 ZINC000471621359 564200790 /nfs/dbraw/zinc/20/07/90/564200790.db2.gz VWAHXCQHTYXXML-UONOGXRCSA-N 1 0 387.571 2.604 20 0 GFADRO COc1ccc(F)cc1CNc1cc(N2CCOCC2)c(Br)c[nH+]1 ZINC000449765143 564200835 /nfs/dbraw/zinc/20/08/35/564200835.db2.gz GQWCGAHONCXTBS-UHFFFAOYSA-N 1 0 396.260 3.441 20 0 GFADRO COc1cc(C[N@H+](C)[C@@H]2CCCOC2)cc(I)c1OC ZINC000563658738 564201493 /nfs/dbraw/zinc/20/14/93/564201493.db2.gz YNPIWNZGLVCEAW-GFCCVEGCSA-N 1 0 391.249 2.919 20 0 GFADRO CN1CCC([NH+]2CCC(NC(=O)c3ccsc3Br)CC2)CC1 ZINC000449822852 564204123 /nfs/dbraw/zinc/20/41/23/564204123.db2.gz XOMKBXSUQWUSHC-UHFFFAOYSA-N 1 0 386.359 2.799 20 0 GFADRO CCOC[C@@H](O)C[N@@H+]1CCC[C@H]1c1ccccc1I ZINC000506598017 564205598 /nfs/dbraw/zinc/20/55/98/564205598.db2.gz XEPYVTQJALXFBB-WFASDCNBSA-N 1 0 375.250 2.826 20 0 GFADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)c1c(Cl)cc(F)cc1Br ZINC000449847471 564205890 /nfs/dbraw/zinc/20/58/90/564205890.db2.gz GDJAKYKRWZCXRR-JTQLQIEISA-N 1 0 392.700 2.607 20 0 GFADRO NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNCc3ncc(Cl)s3)c2)C1 ZINC000472048410 564210903 /nfs/dbraw/zinc/21/09/03/564210903.db2.gz QCWDEHWFNUTSAG-OAHLLOKOSA-N 1 0 378.929 2.784 20 0 GFADRO COc1cc(Br)ccc1[C@@H](C)NC(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000563875459 564210975 /nfs/dbraw/zinc/21/09/75/564210975.db2.gz RIWJLYJZWLULFE-SJKOYZFVSA-N 1 0 382.302 2.914 20 0 GFADRO O=C([C@H]1Cc2cc(Br)ccc2O1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000472102223 564212483 /nfs/dbraw/zinc/21/24/83/564212483.db2.gz PGSDWNCCLOZSJQ-NVXWUHKLSA-N 1 0 379.298 2.839 20 0 GFADRO O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)[C@H]1Cc2cc(Br)ccc2O1 ZINC000472095914 564213093 /nfs/dbraw/zinc/21/30/93/564213093.db2.gz RCWPELLCYSBYBB-WMLDXEAASA-N 1 0 379.298 2.886 20 0 GFADRO O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)[C@@H]1Cc2cc(Br)ccc2O1 ZINC000472095915 564213119 /nfs/dbraw/zinc/21/31/19/564213119.db2.gz RCWPELLCYSBYBB-YOEHRIQHSA-N 1 0 379.298 2.886 20 0 GFADRO O=C(Nc1cnn(-c2ncc(Cl)cc2Cl)c1)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000563943813 564213687 /nfs/dbraw/zinc/21/36/87/564213687.db2.gz JFNJVQSETMCVFQ-GHMZBOCLSA-N 1 0 381.267 2.647 20 0 GFADRO O=C(Nc1ccc2c(c1)NC(=O)CS2)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000563942354 564214005 /nfs/dbraw/zinc/21/40/05/564214005.db2.gz WSOZPXBAFWFQPF-AWEZNQCLSA-N 1 0 377.535 2.887 20 0 GFADRO OCCOCC[N@H+](Cc1cccc(Br)c1)CC1(O)CCCCC1 ZINC000472149536 564214312 /nfs/dbraw/zinc/21/43/12/564214312.db2.gz BZHAVUZNVFHCPJ-UHFFFAOYSA-N 1 0 386.330 2.955 20 0 GFADRO C[C@H](NC(=O)N1CC[N@@H+](C2CCC2)C[C@H](C)C1)c1ncc(Br)cn1 ZINC000564053605 564217305 /nfs/dbraw/zinc/21/73/05/564217305.db2.gz FOPQFPAGLOMKNR-STQMWFEESA-N 1 0 396.333 2.816 20 0 GFADRO C[C@H](C(=O)Nc1cccc(Br)c1)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000564086045 564219479 /nfs/dbraw/zinc/21/94/79/564219479.db2.gz WQLDIUUPKWDGSD-JLZZUVOBSA-N 1 0 396.329 2.604 20 0 GFADRO C[C@H]([NH2+]C[C@@H]1CCCCN1S(C)(=O)=O)c1cccc(Br)c1 ZINC000507209334 564222052 /nfs/dbraw/zinc/22/20/52/564222052.db2.gz GUXXITWXCAEALP-WFASDCNBSA-N 1 0 375.332 2.914 20 0 GFADRO CC[NH+](CC)[C@H](C)CNC(=O)N(CCO)Cc1cc(Br)cs1 ZINC000472478847 564223418 /nfs/dbraw/zinc/22/34/18/564223418.db2.gz ONMOQJNEXARNGK-GFCCVEGCSA-N 1 0 392.363 2.745 20 0 GFADRO CC1CCC([NH+]2CCN(c3cc(Br)cnc3C(N)=O)CC2)CC1 ZINC000472482447 564223735 /nfs/dbraw/zinc/22/37/35/564223735.db2.gz FBCKHFWGJUBDFP-UHFFFAOYSA-N 1 0 381.318 2.644 20 0 GFADRO COc1cc2[nH+]ccc(NC[C@@H]3CCCCS3(=O)=O)c2cc1Br ZINC000564207091 564224885 /nfs/dbraw/zinc/22/48/85/564224885.db2.gz QCARJGCZISMIDG-NSHDSACASA-N 1 0 399.310 2.807 20 0 GFADRO OCC[NH+]1CCC(CNc2ncc(Br)cc2C(F)(F)F)CC1 ZINC000450316014 564226984 /nfs/dbraw/zinc/22/69/84/564226984.db2.gz YDPNHFVQDZDSBZ-UHFFFAOYSA-N 1 0 382.224 2.979 20 0 GFADRO Cc1cc(C(=O)N2CCN(Cc3ncc[nH]3)CC2)c(C)cc1Br ZINC000507389176 564228215 /nfs/dbraw/zinc/22/82/15/564228215.db2.gz CHXMOQKVLIIYIC-UHFFFAOYSA-N 1 0 377.286 2.747 20 0 GFADRO CN1CCC[C@@H]([NH+]2CCC(C(=O)Nc3cccc(Br)c3)CC2)C1=O ZINC000539809345 564228458 /nfs/dbraw/zinc/22/84/58/564228458.db2.gz FCOJTUNYPZZNGP-MRXNPFEDSA-N 1 0 394.313 2.720 20 0 GFADRO CN1CCC(CCO)([NH2+]CC2=Cc3cc(Br)ccc3OC2)CC1 ZINC000472630437 564229624 /nfs/dbraw/zinc/22/96/24/564229624.db2.gz XRCOQFNUJKFXGV-UHFFFAOYSA-N 1 0 381.314 2.661 20 0 GFADRO C[C@@H](Cc1c[nH]cn1)C(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000564344986 564229645 /nfs/dbraw/zinc/22/96/45/564229645.db2.gz AQSACLQEVKWMJY-AWEZNQCLSA-N 1 0 393.329 2.941 20 0 GFADRO C[NH+](C)Cc1ccc(S(=O)(=O)NCCc2nc3ccccc3s2)cc1 ZINC000472688989 564230784 /nfs/dbraw/zinc/23/07/84/564230784.db2.gz WEDXJCOQISNTOT-UHFFFAOYSA-N 1 0 375.519 2.879 20 0 GFADRO C[C@H](OC[C@H](O)C[NH2+]CC1(S(C)(=O)=O)CCCC1)c1ccc(Cl)cc1 ZINC000564445782 564234665 /nfs/dbraw/zinc/23/46/65/564234665.db2.gz IOMUXQSWQIIZPZ-WMLDXEAASA-N 1 0 389.945 2.726 20 0 GFADRO CC(C)[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000564449391 564234711 /nfs/dbraw/zinc/23/47/11/564234711.db2.gz CONWXKXUEWFHEZ-OAHLLOKOSA-N 1 0 383.945 2.758 20 0 GFADRO CSC1(CNC(=O)Cc2csc(-c3ccccn3)n2)CC[NH+](C)CC1 ZINC000564512728 564236698 /nfs/dbraw/zinc/23/66/98/564236698.db2.gz CPBJJDKHOJJMOS-UHFFFAOYSA-N 1 0 376.551 2.691 20 0 GFADRO NC(=O)[C@H]1CCC[C@@H]([NH2+]Cc2c(Br)cncc2Br)C1 ZINC000564530290 564237591 /nfs/dbraw/zinc/23/75/91/564237591.db2.gz YRSTUAPMIJXRGH-DTWKUNHWSA-N 1 0 391.107 2.740 20 0 GFADRO CSc1nc(C(C)(C)C)nc(C)c1C(=O)N1C[C@@H]([NH+](C)C)[C@@H](SC)C1 ZINC000540124719 564239678 /nfs/dbraw/zinc/23/96/78/564239678.db2.gz NWSFHARBXHYHCU-OLZOCXBDSA-N 1 0 382.599 2.922 20 0 GFADRO COc1ncc(C(=O)Nc2ccc3c(c2)C[NH2+]CCO3)cc1Br ZINC000564563985 564240027 /nfs/dbraw/zinc/24/00/27/564240027.db2.gz LKHAKUOOYHZCLX-UHFFFAOYSA-N 1 0 378.226 2.587 20 0 GFADRO CN(CC[N@H+](C)C1CC1)C[C@H](O)COc1ccc(Cl)cc1Br ZINC000473111830 564240212 /nfs/dbraw/zinc/24/02/12/564240212.db2.gz KFEMHIVNHDJVNQ-AWEZNQCLSA-N 1 0 391.737 2.868 20 0 GFADRO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CC[C@H](C)[S@@](C)=O ZINC000540160152 564240743 /nfs/dbraw/zinc/24/07/43/564240743.db2.gz KKPKMPCXZFGWAH-SMDDFHAHSA-N 1 0 375.332 2.913 20 0 GFADRO C[C@@H]([NH2+]CCS(=O)(=O)NC[C@@H]1CCCCO1)c1ccc(Cl)c(F)c1 ZINC000540183530 564240750 /nfs/dbraw/zinc/24/07/50/564240750.db2.gz ZXEHNOOOZKSKCJ-OCCSQVGLSA-N 1 0 378.897 2.618 20 0 GFADRO C[NH+](C)CC[C@@](C)(O)CNC(=O)Cc1csc(-c2ccccc2Cl)n1 ZINC000473267755 564242390 /nfs/dbraw/zinc/24/23/90/564242390.db2.gz CAYVJBWCOZAXCQ-GOSISDBHSA-N 1 0 381.929 2.825 20 0 GFADRO C[NH+]1CCC(CCO)(NC(=O)c2cc(Cl)c(F)cc2Br)CC1 ZINC000450685516 564243359 /nfs/dbraw/zinc/24/33/59/564243359.db2.gz SXHCXJPEJQVNMO-UHFFFAOYSA-N 1 0 393.684 2.818 20 0 GFADRO CN1CCC[C@H]([NH2+]C2CCN(Cc3ccccc3Br)CC2)C1=O ZINC000540315811 564245157 /nfs/dbraw/zinc/24/51/57/564245157.db2.gz NOGHTKLPWIZXAE-KRWDZBQOSA-N 1 0 380.330 2.624 20 0 GFADRO Cc1cc(C)c(C(=O)N2CC[NH+]3CCC2CC3)cc1I ZINC000507869089 564246077 /nfs/dbraw/zinc/24/60/77/564246077.db2.gz SHVNIXYIXKQYQL-UHFFFAOYSA-N 1 0 384.261 2.828 20 0 GFADRO OCC1(C[NH2+]C[C@@H](O)COc2ccc(Cl)cc2Br)CCCC1 ZINC000564728050 564246373 /nfs/dbraw/zinc/24/63/73/564246373.db2.gz CDOFUWMIPIVRGF-CYBMUJFWSA-N 1 0 392.721 2.985 20 0 GFADRO CC[NH+](CC)[C@@H](CNC(=O)C(=O)N1CCS[C@H](C)CC1)c1ccsc1 ZINC000564740748 564247114 /nfs/dbraw/zinc/24/71/14/564247114.db2.gz FWTMJTBBPFXKIJ-ZBFHGGJFSA-N 1 0 383.583 2.601 20 0 GFADRO C[C@H]1[C@@H](NC(=O)c2ccccc2-n2cc(Br)cn2)CCC[N@@H+]1C ZINC000450800930 564248567 /nfs/dbraw/zinc/24/85/67/564248567.db2.gz VUWBOFDGQHXXKI-WFASDCNBSA-N 1 0 377.286 2.847 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)c2cc3ccc(Br)cc3[nH]2)CC12CCOCC2 ZINC000564806845 564249964 /nfs/dbraw/zinc/24/99/64/564249964.db2.gz FNUGEUAVDIJILP-ZDUSSCGKSA-N 1 0 392.297 2.758 20 0 GFADRO C[C@@H]1CN(C(=O)c2ccc(-n3cc(Br)cn3)cc2)C[C@@]1(C)C[NH3+] ZINC000564830121 564250819 /nfs/dbraw/zinc/25/08/19/564250819.db2.gz ZHKWAVOKVFPHOW-SJKOYZFVSA-N 1 0 377.286 2.692 20 0 GFADRO COCC1(CNC(=O)c2cn(C)nc2-c2ccc(Cl)s2)CC[NH2+]CC1 ZINC000564840449 564251867 /nfs/dbraw/zinc/25/18/67/564251867.db2.gz SRSFCGLJXDGRLV-UHFFFAOYSA-N 1 0 382.917 2.548 20 0 GFADRO COC(=O)c1csc(CN2CC[C@@H](C[N@H+](C)Cc3scnc3C)C2)n1 ZINC000450877915 564252272 /nfs/dbraw/zinc/25/22/72/564252272.db2.gz RISIOINMRAKMSC-ZDUSSCGKSA-N 1 0 380.539 2.649 20 0 GFADRO C[C@]1(c2ccc(C[NH2+]Cc3cc(Br)cs3)cc2)NC(=O)NC1=O ZINC000540595752 564252334 /nfs/dbraw/zinc/25/23/34/564252334.db2.gz WVMGNBQVFPBKFG-MRXNPFEDSA-N 1 0 394.294 2.855 20 0 GFADRO CC[C@@H](C)N(C)CC[NH2+]CCS(=O)(=O)c1cccc(Br)c1 ZINC000564848900 564252447 /nfs/dbraw/zinc/25/24/47/564252447.db2.gz OSHRSWPUZRQAGJ-CYBMUJFWSA-N 1 0 377.348 2.543 20 0 GFADRO OC[C@@H]([NH2+]C[C@@H]1COCCO1)c1ccc(Br)cc1C(F)(F)F ZINC000450897458 564254314 /nfs/dbraw/zinc/25/43/14/564254314.db2.gz PVNCAUOVYMVDHW-ZWNOBZJWSA-N 1 0 384.192 2.506 20 0 GFADRO C[NH+](C)[C@H](CNS(=O)(=O)c1ccc(Br)o1)C1CCCCC1 ZINC000473914021 564256547 /nfs/dbraw/zinc/25/65/47/564256547.db2.gz WDBRCSPXAIHOSB-GFCCVEGCSA-N 1 0 379.320 2.831 20 0 GFADRO [NH3+]C[C@@H]1CCCC[C@@]12NC(=O)N(CCOc1c(Cl)cccc1Cl)C2=O ZINC000564928960 564257881 /nfs/dbraw/zinc/25/78/81/564257881.db2.gz LOQOBCOLICKXPA-APPDUMDISA-N 1 0 386.279 2.812 20 0 GFADRO Cc1cc2cc(C(=O)N3CCN([C@@H]4CC[NH2+]C4)CC3)oc2c(Br)c1 ZINC000564933052 564258345 /nfs/dbraw/zinc/25/83/45/564258345.db2.gz SEUCLWOIBMLMDJ-CQSZACIVSA-N 1 0 392.297 2.623 20 0 GFADRO COc1cc(C(F)(F)F)cc(S(=O)(=O)Nc2cc[nH+]c(N(C)C)c2)c1 ZINC000450975278 564258430 /nfs/dbraw/zinc/25/84/30/564258430.db2.gz OKDVRZHINBQYHH-UHFFFAOYSA-N 1 0 375.372 2.976 20 0 GFADRO CCN(CCC[NH+](CC)CC)S(=O)(=O)c1ccc(Cl)cc1C(=O)OC ZINC000473943586 564258727 /nfs/dbraw/zinc/25/87/27/564258727.db2.gz YIIYDDGNEBQPNE-UHFFFAOYSA-N 1 0 390.933 2.869 20 0 GFADRO O=S(=O)(c1csc(-c2ccc(Cl)cc2)n1)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000564967060 564260003 /nfs/dbraw/zinc/26/00/03/564260003.db2.gz QVHSPZQXBKMHBL-CHWSQXEVSA-N 1 0 383.926 2.694 20 0 GFADRO O=S(=O)(c1cc(Br)ccc1Cl)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000564970465 564261244 /nfs/dbraw/zinc/26/12/44/564261244.db2.gz KDSAVKOURCRDNI-CQSZACIVSA-N 1 0 393.734 2.867 20 0 GFADRO C[C@H]1C[C@@H](NC(=O)CNC(=O)c2sc3ccccc3c2Cl)CC[N@@H+]1C ZINC000474109030 564265418 /nfs/dbraw/zinc/26/54/18/564265418.db2.gz WTLXJPSYCBQTOY-RYUDHWBXSA-N 1 0 379.913 2.883 20 0 GFADRO COCC[NH2+]C1CCN(C(=O)[C@H]2CCc3cc(Br)ccc32)CC1 ZINC000565149410 564267642 /nfs/dbraw/zinc/26/76/42/564267642.db2.gz ONAWVPOXCAUNHA-KRWDZBQOSA-N 1 0 381.314 2.706 20 0 GFADRO C[C@@H]1CCc2ccc(Br)cc2[C@H]([NH2+]C[C@@H](O)Cn2ccnn2)C1 ZINC000565141198 564267646 /nfs/dbraw/zinc/26/76/46/564267646.db2.gz DINIVIZIEAEXCN-SRCQZFHVSA-N 1 0 379.302 2.705 20 0 GFADRO CN(C(=O)N[C@@H]1COc2cc(F)c(Br)cc21)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000508646688 564268626 /nfs/dbraw/zinc/26/86/26/564268626.db2.gz DTERUEBBWHAJJG-IAQYHMDHSA-N 1 0 398.276 2.900 20 0 GFADRO C[NH+](C)[C@H]1CCCN(C(=O)N[C@H]2COc3cc(F)c(Br)cc32)C1 ZINC000508668349 564269327 /nfs/dbraw/zinc/26/93/27/564269327.db2.gz UUCRAXKQZYWPJQ-HZMBPMFUSA-N 1 0 386.265 2.757 20 0 GFADRO NC(=O)[C@@H]1CCCN1CCC[NH2+][C@H]1CCCc2c(Br)cccc21 ZINC000541222905 564270017 /nfs/dbraw/zinc/27/00/17/564270017.db2.gz MPBOYGHLKUQVOZ-IRXDYDNUSA-N 1 0 380.330 2.756 20 0 GFADRO Cc1nc2ccc(Br)cn2c1C(=O)N1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000565197094 564270529 /nfs/dbraw/zinc/27/05/29/564270529.db2.gz WIHJYTOGULIDEZ-UONOGXRCSA-N 1 0 377.286 2.714 20 0 GFADRO C[C@@H](CNC(=O)c1conc1C(C)(C)[NH3+])Oc1ccccc1Br ZINC000565216430 564271030 /nfs/dbraw/zinc/27/10/30/564271030.db2.gz OIFLMTVWOVMGAP-JTQLQIEISA-N 1 0 382.258 2.828 20 0 GFADRO Brc1ccc2ncc(CN3CCC[C@@H]([NH+]4CCOCC4)CC3)n2c1 ZINC000565230617 564272209 /nfs/dbraw/zinc/27/22/09/564272209.db2.gz TWZHPABBCHYGIL-MRXNPFEDSA-N 1 0 393.329 2.784 20 0 GFADRO C[C@H]1CN(C[C@H](O)COc2cccc(Br)c2)CC[N@@H+](C2CC2)C1 ZINC000451081467 564272265 /nfs/dbraw/zinc/27/22/65/564272265.db2.gz MMWSWUBXFMRAHC-YOEHRIQHSA-N 1 0 383.330 2.605 20 0 GFADRO C[NH+](C)CCN(Cc1ccc(F)cc1)S(=O)(=O)C[C@H]1CCCC1(F)F ZINC000451092939 564272785 /nfs/dbraw/zinc/27/27/85/564272785.db2.gz ZDVPSHHRCSLLMF-OAHLLOKOSA-N 1 0 378.460 2.955 20 0 GFADRO Cn1c(-c2ccc(Br)cc2)nnc1N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000508782020 564273432 /nfs/dbraw/zinc/27/34/32/564273432.db2.gz IQCCVUVBUSSZPT-OAHLLOKOSA-N 1 0 376.302 2.919 20 0 GFADRO O=C(NC[C@@H]1CCCC[N@H+]1CCO)c1c[nH]c2cccc(Br)c12 ZINC000565345462 564277095 /nfs/dbraw/zinc/27/70/95/564277095.db2.gz GMWBYHOJWIBTLW-LBPRGKRZSA-N 1 0 380.286 2.507 20 0 GFADRO CCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(C)c(Br)c1 ZINC000508947745 564277376 /nfs/dbraw/zinc/27/73/76/564277376.db2.gz KXKYBSUCLCSIQV-AWEZNQCLSA-N 1 0 382.302 2.687 20 0 GFADRO C[C@H]([NH2+]C[C@H](CO)Cc1ccc(Br)cc1)C(C)(C)n1cncn1 ZINC000565378271 564277669 /nfs/dbraw/zinc/27/76/69/564277669.db2.gz RARAJGBGVSWBNV-DZGCQCFKSA-N 1 0 381.318 2.605 20 0 GFADRO CC(C)[NH+]1CCN(c2nnc(COc3ccc(Br)cc3)n2C)CC1 ZINC000508974024 564278170 /nfs/dbraw/zinc/27/81/70/564278170.db2.gz ZWNHIZGOTVXOJM-UHFFFAOYSA-N 1 0 394.317 2.687 20 0 GFADRO CC[NH+](CC)CCS(=O)(=O)N[C@@H]1CCc2c1cccc2Br ZINC000565389754 564279223 /nfs/dbraw/zinc/27/92/23/564279223.db2.gz ANLFAXXZUVDUMC-OAHLLOKOSA-N 1 0 375.332 2.698 20 0 GFADRO C[C@H]1C[N@H+](CCCNC(=O)c2cn3cc(Cl)cc(Cl)c3n2)CCCO1 ZINC000509043966 564279749 /nfs/dbraw/zinc/27/97/49/564279749.db2.gz ACWQIHZIWJBGAT-LBPRGKRZSA-N 1 0 385.295 2.872 20 0 GFADRO CC1(c2cccc(Br)c2)CC[NH+](CCCN2C(=O)CNC2=O)CC1 ZINC000509049678 564280122 /nfs/dbraw/zinc/28/01/22/564280122.db2.gz SRNFSSGVXWJSDM-UHFFFAOYSA-N 1 0 394.313 2.745 20 0 GFADRO C[C@@H]1C[NH+](CCCNC(=O)c2cn3cc(Cl)cc(Cl)c3n2)C[C@@H](C)O1 ZINC000509053354 564280241 /nfs/dbraw/zinc/28/02/41/564280241.db2.gz SWGIJTDUCOXCFO-VXGBXAGGSA-N 1 0 385.295 2.870 20 0 GFADRO CC[C@H](C)[N@H+](C)CCNS(=O)(=O)Cc1ccc(Br)c(F)c1 ZINC000451173729 564282292 /nfs/dbraw/zinc/28/22/92/564282292.db2.gz TVPBAYMIMFJANP-NSHDSACASA-N 1 0 381.311 2.738 20 0 GFADRO O[C@@H](CNC1CC([NH+]2CCCCC2)C1)COc1ccc(Br)cc1 ZINC000565476808 564282989 /nfs/dbraw/zinc/28/29/89/564282989.db2.gz POGOYPCIVASKRL-JCYILVPMSA-N 1 0 383.330 2.795 20 0 GFADRO COC(=O)c1cc(Cl)ccc1S(=O)(=O)N[C@H](C)C[NH+]1CCC(C)CC1 ZINC000565490108 564283683 /nfs/dbraw/zinc/28/36/83/564283683.db2.gz GTYVBCSUFPQDBJ-CYBMUJFWSA-N 1 0 388.917 2.525 20 0 GFADRO COCC[N@H+](C)CCNC(=O)N1CCc2c(Br)cccc2[C@H]1C ZINC000509168056 564284487 /nfs/dbraw/zinc/28/44/87/564284487.db2.gz NZHPMVXGWDFHIX-CYBMUJFWSA-N 1 0 384.318 2.656 20 0 GFADRO CN(C)S(=O)(=O)CC[NH2+][C@H](CC1CC1)c1cc(F)cc(Br)c1 ZINC000509182791 564285162 /nfs/dbraw/zinc/28/51/62/564285162.db2.gz VATDUISBGOTBGE-OAHLLOKOSA-N 1 0 393.322 2.910 20 0 GFADRO COCC[C@](C)(O)C[NH2+][C@H](C)CCc1ccc(I)cc1 ZINC000474721753 564286587 /nfs/dbraw/zinc/28/65/87/564286587.db2.gz VNWYFHAULDYGCQ-CJNGLKHVSA-N 1 0 391.293 2.989 20 0 GFADRO Cc1ccc(CC(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)c(Br)c1 ZINC000451200450 564286616 /nfs/dbraw/zinc/28/66/16/564286616.db2.gz SSBOUOMNZYSKCG-OAHLLOKOSA-N 1 0 383.330 2.917 20 0 GFADRO CN(Cc1ccc(Cl)s1)C(=O)C[N@@H+]1CCC[C@H](CC(C)(C)C(N)=O)C1 ZINC000451214817 564287565 /nfs/dbraw/zinc/28/75/65/564287565.db2.gz YJWKWWJOWJOQOI-CYBMUJFWSA-N 1 0 385.961 2.974 20 0 GFADRO COC1CCN(C(C)(C)C[NH2+]Cc2c(Cl)cccc2S(C)(=O)=O)CC1 ZINC000541793693 564288922 /nfs/dbraw/zinc/28/89/22/564288922.db2.gz HQBGZLQWRNZIJO-UHFFFAOYSA-N 1 0 388.961 2.723 20 0 GFADRO CSC[C@H](CCO)[NH2+]Cc1c(F)ccc(I)c1F ZINC000474794807 564289303 /nfs/dbraw/zinc/28/93/03/564289303.db2.gz LPZRQZNEIHIJGP-QMMMGPOBSA-N 1 0 387.233 2.773 20 0 GFADRO CCOC[C@@H](O)C[NH2+][C@H](C)CCc1ccc(I)cc1 ZINC000474812034 564289865 /nfs/dbraw/zinc/28/98/65/564289865.db2.gz UGDRYJGSFOJREY-DOMZBBRYSA-N 1 0 377.266 2.599 20 0 GFADRO C[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+]CCS(=O)(=O)NC[C@@H]1CCCCO1 ZINC000474804531 564290465 /nfs/dbraw/zinc/29/04/65/564290465.db2.gz ACKNZERYCNLHRR-MPGHIAIKSA-N 1 0 388.961 2.910 20 0 GFADRO NC(=O)c1ccc(C[NH2+][C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)cc1 ZINC000541846130 564291513 /nfs/dbraw/zinc/29/15/13/564291513.db2.gz ZXNBKIDHXSDNBL-INIZCTEOSA-N 1 0 378.259 2.987 20 0 GFADRO C[N@H+]1C[C@H]2CN(C(=O)C(=O)Nc3cc(Cl)c(Cl)c(Cl)c3)C[C@H]2C1 ZINC000565719129 564293152 /nfs/dbraw/zinc/29/31/52/564293152.db2.gz IJVHVDGGDYKCRK-DTORHVGOSA-N 1 0 376.671 2.605 20 0 GFADRO C[C@@H](CO)[N@@H+]1CCCN(C(=O)COc2c(Cl)cc(Cl)cc2Cl)CC1 ZINC000451277794 564294967 /nfs/dbraw/zinc/29/49/67/564294967.db2.gz SPZCNSLXQOQEIT-NSHDSACASA-N 1 0 395.714 2.941 20 0 GFADRO CCC[N@H+](CC)CCNC(=O)c1cc(I)ccc1F ZINC000474965853 564295758 /nfs/dbraw/zinc/29/57/58/564295758.db2.gz JYZWJPGWTCSJOB-UHFFFAOYSA-N 1 0 378.229 2.892 20 0 GFADRO COc1cc(C(F)(F)F)cc(S(=O)(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)c1 ZINC000451297383 564297679 /nfs/dbraw/zinc/29/76/79/564297679.db2.gz NXMXUNDVHYTNOH-CMPLNLGQSA-N 1 0 378.416 2.618 20 0 GFADRO O=[S@](CC[N@@H+]1C[C@H](O)C[C@@H]1[C@H]1CCCOC1)c1cc(Cl)ccc1Cl ZINC000451297607 564297860 /nfs/dbraw/zinc/29/78/60/564297860.db2.gz HIQUFTJYPYJPBB-GOOTWGCPSA-N 1 0 392.348 2.963 20 0 GFADRO C[NH+](C)CCOC1CCN(c2ccnc3cc(Br)cnc32)CC1 ZINC000475044193 564298625 /nfs/dbraw/zinc/29/86/25/564298625.db2.gz BYOJYDJPZPCYTJ-UHFFFAOYSA-N 1 0 379.302 2.939 20 0 GFADRO COc1ccc(C[NH2+]CCc2nnnn2-c2ccccc2)cc1Br ZINC000509430089 564298719 /nfs/dbraw/zinc/29/87/19/564298719.db2.gz OODINVRRTXWJID-UHFFFAOYSA-N 1 0 388.269 2.766 20 0 GFADRO CC(C)(C)OCCCC[NH+]1CCC(N(CC(F)(F)F)S(C)(=O)=O)CC1 ZINC000475060552 564299360 /nfs/dbraw/zinc/29/93/60/564299360.db2.gz DPDTYZPMCRNNOT-UHFFFAOYSA-N 1 0 388.496 2.870 20 0 GFADRO O=C(NCC[N@H+]1CC=CCC1)Nc1cnn(-c2ncc(Cl)cc2Cl)c1 ZINC000565870602 564299644 /nfs/dbraw/zinc/29/96/44/564299644.db2.gz YMHRTKCHRJSSBE-UHFFFAOYSA-N 1 0 381.267 2.958 20 0 GFADRO COc1cc(C[NH2+]C2(CC(N)=O)CCC2)cc(Br)c1OC(F)F ZINC000475111896 564300191 /nfs/dbraw/zinc/30/01/91/564300191.db2.gz WQNLSBSXFXTCPN-UHFFFAOYSA-N 1 0 393.228 2.947 20 0 GFADRO C[C@@H]([N@H+](C)C[C@@H](O)COc1ccc(Cl)cc1Br)C(C)(C)O ZINC000451356250 564304869 /nfs/dbraw/zinc/30/48/69/564304869.db2.gz AMODCKBTTBKKPK-ZYHUDNBSSA-N 1 0 380.710 2.933 20 0 GFADRO [NH3+][C@H]1CCC[C@@H](CNC(=O)c2cnn(-c3cccc(Br)c3)c2)C1 ZINC000566004476 564305876 /nfs/dbraw/zinc/30/58/76/564305876.db2.gz AEIPMQZIEUNFCT-DOMZBBRYSA-N 1 0 377.286 2.882 20 0 GFADRO C[NH+](C)CC1CCN(S(=O)(=O)Cc2ccc(Br)c(F)c2)CC1 ZINC000451366188 564305862 /nfs/dbraw/zinc/30/58/62/564305862.db2.gz YCHXHGPNYCQHSD-UHFFFAOYSA-N 1 0 393.322 2.692 20 0 GFADRO COc1cncc(S(=O)(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)c1 ZINC000542314627 564309360 /nfs/dbraw/zinc/30/93/60/564309360.db2.gz SSTQUYCLVNACHN-SUMWQHHRSA-N 1 0 381.523 2.513 20 0 GFADRO C[C@@H]1CN(C[C@H](O)C[NH2+]C/C=C\c2ccc(Br)cc2)C[C@H](C)O1 ZINC000566122546 564310316 /nfs/dbraw/zinc/31/03/16/564310316.db2.gz NLHUPIXHBSCHEL-ZUAYTMNPSA-N 1 0 383.330 2.522 20 0 GFADRO CC[N@@H+]1CCC[C@H](CNC(=O)COc2ccc(Br)cc2C(C)=O)C1 ZINC000509836500 564314853 /nfs/dbraw/zinc/31/48/53/564314853.db2.gz GDQUGHPNFQFMPW-CQSZACIVSA-N 1 0 397.313 2.879 20 0 GFADRO O=C(N[C@@H]1C[NH2+]CCC1(F)F)[C@H]1C[C@]12CCc1cc(Br)ccc12 ZINC000566211775 564317440 /nfs/dbraw/zinc/31/74/40/564317440.db2.gz KOTIKTIPXOLIGZ-FMKPAKJESA-N 1 0 385.252 2.766 20 0 GFADRO C[C@@H]1C[NH2+]CC[C@@H]1NS(=O)(=O)Cc1cc(Cl)ccc1Br ZINC000566228710 564318252 /nfs/dbraw/zinc/31/82/52/564318252.db2.gz KLDWVFQCGKWTPD-RNCFNFMXSA-N 1 0 381.723 2.520 20 0 GFADRO CCS(=O)(=O)NCCC[N@@H+](Cc1cccc(Br)c1)CC1CC1 ZINC000475748332 564318284 /nfs/dbraw/zinc/31/82/84/564318284.db2.gz KVVZCMPHORZXKB-UHFFFAOYSA-N 1 0 389.359 2.991 20 0 GFADRO Cc1ccc(C[C@H](CO)C[NH2+]C[C@H](O)CC(F)(F)F)cc1Br ZINC000566232233 564318331 /nfs/dbraw/zinc/31/83/31/564318331.db2.gz ZTSYTVDCLWQFEK-QWHCGFSZSA-N 1 0 384.236 2.811 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)c(C)c1C(=O)NC[C@H]([NH3+])C1CC1 ZINC000566248533 564319266 /nfs/dbraw/zinc/31/92/66/564319266.db2.gz FQZMEOCNDFBHMP-HNNXBMFYSA-N 1 0 377.286 2.719 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)c(C)c1C(=O)NCC1([NH3+])CCC1 ZINC000566249369 564319497 /nfs/dbraw/zinc/31/94/97/564319497.db2.gz VWMLOPKYHOAHBO-UHFFFAOYSA-N 1 0 377.286 2.863 20 0 GFADRO CN(CCC[NH+]1CCCC1)S(=O)(=O)c1cc(Br)c(F)cc1F ZINC000542690894 564321278 /nfs/dbraw/zinc/32/12/78/564321278.db2.gz NRDDEJYPYBFGFK-UHFFFAOYSA-N 1 0 397.285 2.834 20 0 GFADRO O=S1(=O)CCC(O)(C[NH+]2CCC(F)(Cc3ccc(Cl)cc3)CC2)CC1 ZINC000451523873 564322453 /nfs/dbraw/zinc/32/24/53/564322453.db2.gz AYDFQUJJBVTMTA-UHFFFAOYSA-N 1 0 389.920 2.626 20 0 GFADRO CN([C@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1)S(=O)(=O)c1ccsc1 ZINC000510064664 564324483 /nfs/dbraw/zinc/32/44/83/564324483.db2.gz LOCYPLZVGOZCPU-MSOLQXFVSA-N 1 0 385.599 2.706 20 0 GFADRO C[N@H+](C[C@@H](O)COc1ccc(Cl)cc1Br)[C@@H]1CCCOC1 ZINC000510102605 564325616 /nfs/dbraw/zinc/32/56/16/564325616.db2.gz TTWUNHCKXSYROH-CHWSQXEVSA-N 1 0 378.694 2.953 20 0 GFADRO C[NH+](C)CCn1ccc(C(=O)N[C@@H]2C[C@H]2c2ccc(Br)c(F)c2)n1 ZINC000566457070 564327358 /nfs/dbraw/zinc/32/73/58/564327358.db2.gz QFXDNIZXKSCFMG-BLLLJJGKSA-N 1 0 395.276 2.632 20 0 GFADRO COc1ccc(CNC(=O)C[NH2+][C@@H](C)c2cncc(Br)c2)cc1 ZINC000566500740 564329374 /nfs/dbraw/zinc/32/93/74/564329374.db2.gz QLMGCAFFXYHYIR-LBPRGKRZSA-N 1 0 378.270 2.820 20 0 GFADRO CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C[NH+]2CCC(C)CC2)cc1Cl ZINC000566494726 564329998 /nfs/dbraw/zinc/32/99/98/564329998.db2.gz TUZDJTOVMYCTHK-ZDUSSCGKSA-N 1 0 387.933 2.697 20 0 GFADRO CN(C1CC[NH2+]CC1)S(=O)(=O)Cc1cc(Cl)ccc1Br ZINC000567351512 564367955 /nfs/dbraw/zinc/36/79/55/564367955.db2.gz SHRXASVFLQVGND-UHFFFAOYSA-N 1 0 381.723 2.616 20 0 GFADRO Cc1c(Br)ccnc1NC(=O)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000566569665 564332679 /nfs/dbraw/zinc/33/26/79/564332679.db2.gz AIDVFOLZWQEXGF-CQSZACIVSA-N 1 0 397.317 2.871 20 0 GFADRO Cc1nc2ccc(Br)cn2c1C(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000476304224 564334413 /nfs/dbraw/zinc/33/44/13/564334413.db2.gz XZSZETZUOUMYHC-MFKMUULPSA-N 1 0 377.286 2.760 20 0 GFADRO C[C@@H]1CN(Cc2ncc(-c3ccc(Br)cc3)o2)C[C@H](C)[N@H+]1CCO ZINC000451653815 564336254 /nfs/dbraw/zinc/33/62/54/564336254.db2.gz NJHMKSNGDVKWJA-OKILXGFUSA-N 1 0 394.313 2.991 20 0 GFADRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1S(=O)(=O)c1cc(F)ccc1Br ZINC000510522141 564336768 /nfs/dbraw/zinc/33/67/68/564336768.db2.gz GTXPXXOSTULPOK-AAEUAGOBSA-N 1 0 391.306 2.836 20 0 GFADRO COCC[NH2+]C1CCN(C(=O)Nc2cc(Br)cc(OC)c2)CC1 ZINC000566684458 564338342 /nfs/dbraw/zinc/33/83/42/564338342.db2.gz RLQYXPNHKJHWFW-UHFFFAOYSA-N 1 0 386.290 2.690 20 0 GFADRO CC1CC[NH+](C[C@@H](O)CNC(=O)COc2cc(Cl)cc(Cl)c2)CC1 ZINC000476464001 564340891 /nfs/dbraw/zinc/34/08/91/564340891.db2.gz WKGGZTIPRZVRTR-HNNXBMFYSA-N 1 0 375.296 2.581 20 0 GFADRO COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]C[C@@H]1CCCCS1(=O)=O ZINC000543411882 564349642 /nfs/dbraw/zinc/34/96/42/564349642.db2.gz CCGIZODPMSCGOQ-JSGCOSHPSA-N 1 0 388.917 2.623 20 0 GFADRO CCCC[N@H+](C)CC1CCN(c2cc(Br)cnc2C(N)=O)CC1 ZINC000543409645 564349867 /nfs/dbraw/zinc/34/98/67/564349867.db2.gz CHIVDFDASQYRLD-UHFFFAOYSA-N 1 0 383.334 2.891 20 0 GFADRO CC1(C)[C@H]([NH2+]CCNS(=O)(=O)c2ccc(F)cc2Cl)[C@@H]2CCCO[C@@H]21 ZINC000510979537 564351973 /nfs/dbraw/zinc/35/19/73/564351973.db2.gz VOVVJMRSJRSZKB-MAZHCROVSA-N 1 0 390.908 2.551 20 0 GFADRO CCOC(=O)[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](O)COc1ccc(Br)cc1 ZINC000451789730 564352185 /nfs/dbraw/zinc/35/21/85/564352185.db2.gz MVHRWJGXVBDXEN-BMFZPTHFSA-N 1 0 386.286 2.510 20 0 GFADRO CC(C)([NH2+]CC(=O)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1)c1cccs1 ZINC000543502064 564352539 /nfs/dbraw/zinc/35/25/39/564352539.db2.gz ICGJMHKEGPQRSB-OAHLLOKOSA-N 1 0 384.567 2.531 20 0 GFADRO C[N@@H+]1CC[C@H]2OCCN(C(=O)c3c(Cl)cc(F)cc3Br)[C@@H]2C1 ZINC000451802798 564352961 /nfs/dbraw/zinc/35/29/61/564352961.db2.gz PEFQETWHMDELBV-CHWSQXEVSA-N 1 0 391.668 2.787 20 0 GFADRO COc1c[nH+]ccc1N1CCN(C(=O)Cc2cscc2Br)CC1 ZINC000511021132 564353700 /nfs/dbraw/zinc/35/37/00/564353700.db2.gz ZXRPTOWCTGOQRJ-UHFFFAOYSA-N 1 0 396.310 2.806 20 0 GFADRO CC1(C)COC[C@@H]1[NH2+]C[C@H](O)COc1ccc(Cl)cc1Br ZINC000451813759 564354179 /nfs/dbraw/zinc/35/41/79/564354179.db2.gz VYFOJWJHFKKROX-FZMZJTMJSA-N 1 0 378.694 2.857 20 0 GFADRO C[C@@H]([NH2+][C@@H]1COCC1(C)C)C(=O)Nc1ccc(I)cc1 ZINC000451808585 564354268 /nfs/dbraw/zinc/35/42/68/564354268.db2.gz KHCYWPQODLLQFI-ZWNOBZJWSA-N 1 0 388.249 2.633 20 0 GFADRO C[C@@H]([NH2+]C[C@H]1CCCCN1S(=O)(=O)N(C)C)c1cnc2ccsc2c1 ZINC000567115849 564358362 /nfs/dbraw/zinc/35/83/62/564358362.db2.gz IZILBEZSTFOJQC-UKRRQHHQSA-N 1 0 382.555 2.608 20 0 GFADRO O=S(=O)(c1ccccc1OC(F)(F)F)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000567166963 564360137 /nfs/dbraw/zinc/36/01/37/564360137.db2.gz ZTMHIOBMQKIRKE-CHWSQXEVSA-N 1 0 378.416 2.595 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(S(=O)(=O)Cc3ccc(Cl)cc3Br)C[C@@H]21 ZINC000451875477 564361312 /nfs/dbraw/zinc/36/13/12/564361312.db2.gz CAWLNKPPVAATGK-YGRLFVJLSA-N 1 0 393.734 2.568 20 0 GFADRO O=C1C[C@@H](C[NH2+]Cc2ccc(F)cc2I)CN1C1CC1 ZINC000567172607 564361403 /nfs/dbraw/zinc/36/14/03/564361403.db2.gz VGNLONWZYXYJJO-JTQLQIEISA-N 1 0 388.224 2.531 20 0 GFADRO CC1(C)NC(=O)N(CCCN2CCC[C@H]2c2ccc(Br)cn2)C1=O ZINC000567242532 564362640 /nfs/dbraw/zinc/36/26/40/564362640.db2.gz HIBJIAUDMHDVCK-AWEZNQCLSA-N 1 0 395.301 2.702 20 0 GFADRO O[C@H]([C@H]1CC[N@@H+](C[C@H](O)COc2c(Cl)cccc2Cl)C1)C(F)(F)F ZINC000451918769 564366304 /nfs/dbraw/zinc/36/63/04/564366304.db2.gz YXBOKROFWNEWOH-PKFCDNJMSA-N 1 0 388.213 2.978 20 0 GFADRO CC[N@@H+]1CCN(C(=O)c2ccccc2-n2cc(Br)cn2)[C@H](C)C1 ZINC000451916515 564366344 /nfs/dbraw/zinc/36/63/44/564366344.db2.gz LEDPBTISVZZKEK-CYBMUJFWSA-N 1 0 377.286 2.801 20 0 GFADRO CS[C@H]1CN(S(=O)(=O)c2ccccc2C(F)(F)F)C[C@@H]1[NH+]1CCCC1 ZINC000477143113 564367180 /nfs/dbraw/zinc/36/71/80/564367180.db2.gz JAJZOPLFSLLCPA-KBPBESRZSA-N 1 0 394.484 2.906 20 0 GFADRO CCCN(CC[NH+]1CCCC1)S(=O)(=O)c1cc(Cl)ccc1C(=O)OC ZINC000511342805 564368132 /nfs/dbraw/zinc/36/81/32/564368132.db2.gz LOSLKXILWFAHQD-UHFFFAOYSA-N 1 0 388.917 2.623 20 0 GFADRO COCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](Cc2cc(OC)ccc2Br)C1 ZINC000511477078 564373619 /nfs/dbraw/zinc/37/36/19/564373619.db2.gz JUXOHXSFZCUVEW-KGLIPLIRSA-N 1 0 399.329 2.821 20 0 GFADRO COc1ccc(CNC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)cc1Br ZINC000511561174 564375584 /nfs/dbraw/zinc/37/55/84/564375584.db2.gz OXDKRJLAKPEYEJ-HUUCEWRRSA-N 1 0 382.302 2.884 20 0 GFADRO Cn1c(=O)oc2cc(C[NH2+][C@H](CO)c3cccc(Br)c3)ccc21 ZINC000511589047 564376809 /nfs/dbraw/zinc/37/68/09/564376809.db2.gz UUOGKWYQHFNKAI-CQSZACIVSA-N 1 0 377.238 2.717 20 0 GFADRO CC(C)C[NH+]1CCN(C(=O)c2ccc(F)c(I)c2)CC1 ZINC000477452372 564377833 /nfs/dbraw/zinc/37/78/33/564377833.db2.gz ZBDKNTYJBCAAAF-UHFFFAOYSA-N 1 0 390.240 2.844 20 0 GFADRO C[N@H+](CCCS(=O)(=O)c1ccccc1)C1CCN(CC(F)(F)F)CC1 ZINC000452032723 564384476 /nfs/dbraw/zinc/38/44/76/564384476.db2.gz AYSONKFQPUDWSL-UHFFFAOYSA-N 1 0 378.460 2.809 20 0 GFADRO CC[NH+]1CCN(CCC(=O)NCCCOc2ccc(Cl)cc2Cl)CC1 ZINC000511963359 564387032 /nfs/dbraw/zinc/38/70/32/564387032.db2.gz GBPOAKVHXNQCHC-UHFFFAOYSA-N 1 0 388.339 2.906 20 0 GFADRO CC[N@@H+]1CCC[C@@H](CNC(=O)c2cc(F)ccc2I)C1 ZINC000512018494 564389396 /nfs/dbraw/zinc/38/93/96/564389396.db2.gz YDYCWOCXYNQXOZ-NSHDSACASA-N 1 0 390.240 2.892 20 0 GFADRO CC[NH+](CC)CCOCCNC(=O)c1sc(C)c(Br)c1OC ZINC000544586888 564389452 /nfs/dbraw/zinc/38/94/52/564389452.db2.gz UQKMJLIAFBRTRC-UHFFFAOYSA-N 1 0 393.347 2.916 20 0 GFADRO CCOCCOC[C@@H](O)C[NH2+][C@H]1CCCOc2ccc(Br)cc21 ZINC000477937570 564390520 /nfs/dbraw/zinc/39/05/20/564390520.db2.gz ZXYZTSJWTZVFAW-HOCLYGCPSA-N 1 0 388.302 2.666 20 0 GFADRO COc1cccc(OC)c1C[NH2+]C[C@@H](O)COc1ccccc1Br ZINC000512051461 564390750 /nfs/dbraw/zinc/39/07/50/564390750.db2.gz HYCUIWUCPUXIKN-CYBMUJFWSA-N 1 0 396.281 2.996 20 0 GFADRO CCO[C@H]1C[C@@]([NH3+])(C(=O)N2CCOc3ccc(Br)cc3C2)C1(C)C ZINC000567823233 564391106 /nfs/dbraw/zinc/39/11/06/564391106.db2.gz OQOOVJZIWBRNML-MAUKXSAKSA-N 1 0 397.313 2.703 20 0 GFADRO Cc1ccc(S(=O)(=O)N(C)[C@@H]2CC[N@@H+](C(C)C)C2)c(Br)c1 ZINC000452092404 564391167 /nfs/dbraw/zinc/39/11/67/564391167.db2.gz DDHLCDMXNCJRQM-CYBMUJFWSA-N 1 0 375.332 2.861 20 0 GFADRO CCOCCOC[C@@H](O)C[NH2+][C@@H]1CCCOc2cc(Br)ccc21 ZINC000477950914 564391821 /nfs/dbraw/zinc/39/18/21/564391821.db2.gz UUDFXPXVDWESNT-GOEBONIOSA-N 1 0 388.302 2.666 20 0 GFADRO CC(C)[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2ccc(Br)c(F)c2)C1 ZINC000452098236 564392022 /nfs/dbraw/zinc/39/20/22/564392022.db2.gz AMYWTKDYCAQEQL-NSHDSACASA-N 1 0 379.295 2.691 20 0 GFADRO Cc1cc([C@@H](C)[NH2+]C2CCN(S(C)(=O)=O)CC2)sc1Br ZINC000512119883 564392502 /nfs/dbraw/zinc/39/25/02/564392502.db2.gz DGCSXWSMKIRBIB-SNVBAGLBSA-N 1 0 381.361 2.894 20 0 GFADRO C[NH2+]C[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2Br)C1 ZINC000567850342 564392722 /nfs/dbraw/zinc/39/27/22/564392722.db2.gz SJBIFLDLABSYSQ-NSHDSACASA-N 1 0 395.750 2.864 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)N(C)CCC[NH+](C)C ZINC000544663886 564392893 /nfs/dbraw/zinc/39/28/93/564392893.db2.gz PBFWUQQEEQSMRV-UHFFFAOYSA-N 1 0 399.333 2.679 20 0 GFADRO Cc1ccc(S(=O)(=O)N2CCC3(CC[NH2+]CC3)CC2)cc1Br ZINC000567853064 564392999 /nfs/dbraw/zinc/39/29/99/564392999.db2.gz DXVZNBDHTMQWNH-UHFFFAOYSA-N 1 0 387.343 2.912 20 0 GFADRO C[C@@H]1CSC[C@@H]1[NH2+]CC(=O)N(C)CCOc1ccc(Br)cc1 ZINC000512162873 564393735 /nfs/dbraw/zinc/39/37/35/564393735.db2.gz DMHHEZVYYHXSHW-DOMZBBRYSA-N 1 0 387.343 2.627 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]1C1CCN(Cc2cc3c(c(Br)c2)OCO3)CC1 ZINC000567871208 564393843 /nfs/dbraw/zinc/39/38/43/564393843.db2.gz ZQSJOPUCRKTSEB-ZBFHGGJFSA-N 1 0 383.286 2.506 20 0 GFADRO C[C@@H]1CSC[C@H]1[NH2+]CC(=O)N(C)CCOc1ccc(Br)cc1 ZINC000512162874 564394013 /nfs/dbraw/zinc/39/40/13/564394013.db2.gz DMHHEZVYYHXSHW-IUODEOHRSA-N 1 0 387.343 2.627 20 0 GFADRO CC(=O)Nc1ccc(NC(=O)C[NH2+][C@@H]2CSC[C@@H]2C)c(C(F)(F)F)c1 ZINC000512165546 564394022 /nfs/dbraw/zinc/39/40/22/564394022.db2.gz LPFASDXWPUXRCT-LKFCYVNXSA-N 1 0 375.416 2.943 20 0 GFADRO C[C@@H]1CN(C(=O)C[NH2+][C@@H](CCO)c2ccc(Cl)c(Cl)c2)C[C@@H](C)O1 ZINC000512185548 564395052 /nfs/dbraw/zinc/39/50/52/564395052.db2.gz JYZRVKKJTGRFMH-HSMVNMDESA-N 1 0 375.296 2.642 20 0 GFADRO CC(C)C[N@@H+]1CCC[C@H](CNS(=O)(=O)c2ccc(Br)o2)C1 ZINC000544715039 564395523 /nfs/dbraw/zinc/39/55/23/564395523.db2.gz ZKUGVPOEVZGPBV-GFCCVEGCSA-N 1 0 379.320 2.688 20 0 GFADRO CN1CC[C@@H]([NH2+]Cc2cc(Cl)cc(S(N)(=O)=O)c2)[C@@H]1c1ccccc1 ZINC000567902530 564395951 /nfs/dbraw/zinc/39/59/51/564395951.db2.gz OPHYHBKGWXBSHY-MSOLQXFVSA-N 1 0 379.913 2.522 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C(=O)N1CC[NH2+][C@@H](C)[C@@H]1C ZINC000567915835 564396046 /nfs/dbraw/zinc/39/60/46/564396046.db2.gz WEORVFLGNIEFCV-AAEUAGOBSA-N 1 0 377.286 2.766 20 0 GFADRO CC(=O)c1cc(Br)ccc1OCC(=O)N1CCC(C[NH+](C)C)CC1 ZINC000512301377 564396688 /nfs/dbraw/zinc/39/66/88/564396688.db2.gz UWDOQGMZVWYHAP-UHFFFAOYSA-N 1 0 397.313 2.831 20 0 GFADRO CC[NH+](CC)CCNC(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000478246741 564397578 /nfs/dbraw/zinc/39/75/78/564397578.db2.gz AYCVRDFGAVJZSL-CXAGYDPISA-N 1 0 386.323 2.971 20 0 GFADRO C[C@H](Sc1ccccc1C(=O)NC[C@H](c1cccs1)[NH+](C)C)C(N)=O ZINC000512314555 564397936 /nfs/dbraw/zinc/39/79/36/564397936.db2.gz HLWSHLPQIHCQGQ-GXTWGEPZSA-N 1 0 377.535 2.747 20 0 GFADRO COc1ccc(C[NH2+]CCc2nnnn2-c2ccccc2)c(Br)c1 ZINC000512354673 564398770 /nfs/dbraw/zinc/39/87/70/564398770.db2.gz IKFWROXDEHHQOX-UHFFFAOYSA-N 1 0 388.269 2.766 20 0 GFADRO C[C@@H](C[NH+](C)C)NC(=O)N1CCC[C@H](Nc2cccc(Br)c2)C1 ZINC000512422803 564401602 /nfs/dbraw/zinc/40/16/02/564401602.db2.gz XMBBFMSGKKHEHY-BBRMVZONSA-N 1 0 383.334 2.985 20 0 GFADRO COc1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CNC(=O)C2)c(Br)c1O ZINC000544928319 564404043 /nfs/dbraw/zinc/40/40/43/564404043.db2.gz XKKXUMPHSPWSGC-QWHCGFSZSA-N 1 0 383.286 2.654 20 0 GFADRO C[N@H+](CC(=O)N[C@H](CO)c1ccc(Cl)cc1C(F)(F)F)[C@H]1CCSC1 ZINC000478495189 564405161 /nfs/dbraw/zinc/40/51/61/564405161.db2.gz WSUSIARBJNOFSK-SMDDNHRTSA-N 1 0 396.862 2.946 20 0 GFADRO COCc1ccc(C[NH2+]C[C@H]2CCN(S(=O)(=O)c3cccs3)C2)cc1 ZINC000512560491 564405677 /nfs/dbraw/zinc/40/56/77/564405677.db2.gz FEOBHESSOHKLFH-QGZVFWFLSA-N 1 0 380.535 2.695 20 0 GFADRO C[NH+](C)CCNS(=O)(=O)c1cccc(NCc2ccc(F)cc2Cl)c1 ZINC000512613441 564406780 /nfs/dbraw/zinc/40/67/80/564406780.db2.gz LLRIPAKCLKSRPA-UHFFFAOYSA-N 1 0 385.892 2.931 20 0 GFADRO O=C(CC[NH+]1CCC(N2CN=NC2=O)CC1)Nc1c(Cl)cccc1Cl ZINC000568168602 564406875 /nfs/dbraw/zinc/40/68/75/564406875.db2.gz LXGWUFCWFLFNBP-UHFFFAOYSA-N 1 0 384.267 2.956 20 0 GFADRO COCC[N@@H+]1CCCN(C(=O)CCOc2ccc(Cl)cc2Cl)CC1 ZINC000478561711 564407508 /nfs/dbraw/zinc/40/75/08/564407508.db2.gz NGVSLFJUNRNFSE-UHFFFAOYSA-N 1 0 375.296 2.943 20 0 GFADRO Cc1nc(CNc2cccc(S(=O)(=O)NCCCC[NH+](C)C)c2)cs1 ZINC000512652357 564407552 /nfs/dbraw/zinc/40/75/52/564407552.db2.gz MGEDCLVOAVGLSJ-UHFFFAOYSA-N 1 0 382.555 2.684 20 0 GFADRO O=C(CCC(=O)c1cc(Cl)sc1Cl)NC[C@H]1CCC[N@H+]1CCCO ZINC000452356755 564408173 /nfs/dbraw/zinc/40/81/73/564408173.db2.gz DGURCGWMWNRUSB-LLVKDONJSA-N 1 0 393.336 2.981 20 0 GFADRO C[C@H](CC(=O)NC[C@H]1CCC[N@@H+]1CCCO)c1ccc(Br)cc1 ZINC000452359492 564409138 /nfs/dbraw/zinc/40/91/38/564409138.db2.gz HLOYKJQZMXIQJF-RHSMWYFYSA-N 1 0 383.330 2.906 20 0 GFADRO CC[C@H](CSC)NC(=O)C(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000512737875 564409709 /nfs/dbraw/zinc/40/97/09/564409709.db2.gz BPGWRMXQGBTMRM-IIAWOOMASA-N 1 0 383.583 2.505 20 0 GFADRO CC(C)Oc1cc(Br)cc(C(=O)NC[C@@H]2CCC[N@@H+]2CCCO)c1 ZINC000452376181 564409808 /nfs/dbraw/zinc/40/98/08/564409808.db2.gz YUUZOYKEUREQOV-INIZCTEOSA-N 1 0 399.329 2.813 20 0 GFADRO O[C@@H](COc1ccc(Br)cc1)C[N@@H+]1CC[C@@H](COC(F)F)C1 ZINC000512805069 564411351 /nfs/dbraw/zinc/41/13/51/564411351.db2.gz ALUWFCRZSFJLMG-DGCLKSJQSA-N 1 0 380.229 2.750 20 0 GFADRO CCc1sc(C(=O)N[C@H]2CCC[N@H+](CCCO)C2)cc1Br ZINC000452386682 564411471 /nfs/dbraw/zinc/41/14/71/564411471.db2.gz NSUUZUWCLOCFKS-NSHDSACASA-N 1 0 375.332 2.650 20 0 GFADRO C[C@@H](CNC(=O)NCc1cc(Br)cc2c1OCC2)[N@H+](C)C1CC1 ZINC000545194382 564412433 /nfs/dbraw/zinc/41/24/33/564412433.db2.gz VHFBSQHFTWYICF-NSHDSACASA-N 1 0 382.302 2.666 20 0 GFADRO O=C(Cc1cc(Cl)ccc1Br)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000452387016 564412805 /nfs/dbraw/zinc/41/28/05/564412805.db2.gz YUCGJEZCOXKCNI-CQSZACIVSA-N 1 0 389.721 2.608 20 0 GFADRO CC[C@@H](Cc1ccccc1Br)C(=O)NC[C@@H]1CCCC[N@@H+]1CCO ZINC000452395399 564413234 /nfs/dbraw/zinc/41/32/34/564413234.db2.gz WOJPUOSVQMVYBM-RDJZCZTQSA-N 1 0 397.357 2.981 20 0 GFADRO Cc1ccc(C[NH2+]C[C@@H]2CCCC[C@H]2NS(C)(=O)=O)c(Br)c1 ZINC000512850831 564413636 /nfs/dbraw/zinc/41/36/36/564413636.db2.gz LFLJCJKUFTWMTG-GOEBONIOSA-N 1 0 389.359 2.955 20 0 GFADRO CC(C)[NH2+]CCCNC(=O)C(=O)Nc1cccc(Br)c1Cl ZINC000568369502 564415849 /nfs/dbraw/zinc/41/58/49/564415849.db2.gz KOEIVLLKAAMEGJ-UHFFFAOYSA-N 1 0 376.682 2.545 20 0 GFADRO CO[C@@H]1CCN(C(=O)c2ccn(-c3ccc(Cl)c(Cl)c3)n2)[C@@H](C[NH3+])C1 ZINC000568381276 564416330 /nfs/dbraw/zinc/41/63/30/564416330.db2.gz AAHWRKNCVRVGKU-CHWSQXEVSA-N 1 0 383.279 2.757 20 0 GFADRO O=C1NCC[C@@H]1CC[N@H+](CCc1ccc(Cl)cc1)C[C@H](O)C(F)(F)F ZINC000568408259 564417404 /nfs/dbraw/zinc/41/74/04/564417404.db2.gz ISSWJVXSHXOCDS-HIFRSBDPSA-N 1 0 378.822 2.634 20 0 GFADRO COc1ccc(C[NH2+]CCNS(=O)(=O)c2ccc(Cl)cc2C)cc1F ZINC000513022357 564417998 /nfs/dbraw/zinc/41/79/98/564417998.db2.gz SYELFFQOTYAFIC-UHFFFAOYSA-N 1 0 386.876 2.864 20 0 GFADRO COC(=O)C[C@@](C)([NH2+]CCC(=O)NC(C)C)c1ccc(Br)cc1 ZINC000513129286 564421849 /nfs/dbraw/zinc/42/18/49/564421849.db2.gz XAUJXBWRWAOUBQ-QGZVFWFLSA-N 1 0 385.302 2.732 20 0 GFADRO COC(=O)C[C@](C)([NH2+]C[C@@H](O)COC(C)C)c1ccc(Br)cc1 ZINC000513145691 564422203 /nfs/dbraw/zinc/42/22/03/564422203.db2.gz WWYRBUCCLJUSHQ-WBVHZDCISA-N 1 0 388.302 2.603 20 0 GFADRO COC(=O)C[C@](C)([NH2+]C[C@H](O)COC(C)C)c1ccc(Br)cc1 ZINC000513145690 564422217 /nfs/dbraw/zinc/42/22/17/564422217.db2.gz WWYRBUCCLJUSHQ-RDJZCZTQSA-N 1 0 388.302 2.603 20 0 GFADRO CS[C@H]1CN(C(=O)Nc2cn(CC(C)C)nc2C(F)F)C[C@H]1[NH+](C)C ZINC000545438991 564423744 /nfs/dbraw/zinc/42/37/44/564423744.db2.gz WJANFXGJDZLDTB-OLZOCXBDSA-N 1 0 375.489 2.986 20 0 GFADRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)C(=O)NCCc2c(Cl)cccc2Cl)C1 ZINC000479070653 564423781 /nfs/dbraw/zinc/42/37/81/564423781.db2.gz MVCXQHOAWUOAOV-OLZOCXBDSA-N 1 0 386.323 2.641 20 0 GFADRO NC(=O)[C@H]1CCCN1CCC[NH2+][C@@H]1CCCc2cc(Br)ccc21 ZINC000479080106 564425042 /nfs/dbraw/zinc/42/50/42/564425042.db2.gz NOUJCEJDDPVROB-IAGOWNOFSA-N 1 0 380.330 2.756 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H](C)c2ncc(Br)cn2)[C@H](C)C1 ZINC000568600228 564425803 /nfs/dbraw/zinc/42/58/03/564425803.db2.gz HDLSHPGGVRFOBB-BZPMIXESSA-N 1 0 384.322 2.672 20 0 GFADRO CO[C@@H](C)C[N@H+](C)[C@@H](C)C(=O)Nc1ccc(I)cc1 ZINC000513265570 564426166 /nfs/dbraw/zinc/42/61/66/564426166.db2.gz GKDJFMUKSJHPPQ-QWRGUYRKSA-N 1 0 376.238 2.585 20 0 GFADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@H]1CCO[C@H](c2ccncc2)C1 ZINC000568604746 564426148 /nfs/dbraw/zinc/42/61/48/564426148.db2.gz GGOALZUYYYFQIA-COXVUDFISA-N 1 0 392.297 2.904 20 0 GFADRO C[N@H+](Cc1ccccc1)C1(CNC(=O)Cn2cc(Br)cn2)CCC1 ZINC000452711001 564427522 /nfs/dbraw/zinc/42/75/22/564427522.db2.gz CUXRTTUAYKDIDM-UHFFFAOYSA-N 1 0 391.313 2.817 20 0 GFADRO CC(=O)c1cc(Br)ccc1OCC(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000513484628 564431312 /nfs/dbraw/zinc/43/13/12/564431312.db2.gz LTJWCMLHZAODJP-BXUZGUMPSA-N 1 0 383.286 2.629 20 0 GFADRO O=S(=O)(c1ccc(C[NH2+][C@@H](C2CC2)C2CCCC2)s1)N1CCOCC1 ZINC000568717057 564431650 /nfs/dbraw/zinc/43/16/50/564431650.db2.gz FOWSSLFFRHARQB-GOSISDBHSA-N 1 0 384.567 2.827 20 0 GFADRO C/C(=C\c1ccc(Cl)cc1)C[NH2+]CCS(=O)(=O)NC[C@@H]1CCCCO1 ZINC000513538067 564432132 /nfs/dbraw/zinc/43/21/32/564432132.db2.gz GQTGBUNOIDVGFN-XOVFHRFOSA-N 1 0 386.945 2.821 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2ccc(NC(C)=O)c(Cl)c2)C[C@H]1C ZINC000479237360 564432724 /nfs/dbraw/zinc/43/27/24/564432724.db2.gz HEQSNHCSWGDLQL-OCCSQVGLSA-N 1 0 387.933 2.792 20 0 GFADRO Cc1cc(NC(=O)CNC(=O)C[C@H]2CCCC[C@H]2[NH3+])ccc1Br ZINC000568745277 564433000 /nfs/dbraw/zinc/43/30/00/564433000.db2.gz UZJGMQQKQRKDRY-IUODEOHRSA-N 1 0 382.302 2.720 20 0 GFADRO C[C@@H](Sc1ccnc2cc(Cl)ccc21)C(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000545862104 564434709 /nfs/dbraw/zinc/43/47/09/564434709.db2.gz XSLYNGQQUODDNM-XIKOKIGWSA-N 1 0 379.913 2.552 20 0 GFADRO C[C@@H]([NH2+]C[C@@H](O)COc1ccc2c(c1)OCO2)c1ccc(Br)cn1 ZINC000479355135 564437519 /nfs/dbraw/zinc/43/75/19/564437519.db2.gz DBZWMQZPLDPQHX-DGCLKSJQSA-N 1 0 395.253 2.663 20 0 GFADRO O=C1CCCCN1CCC[NH2+]C[C@H](O)COc1c(Cl)cccc1Cl ZINC000568857427 564438166 /nfs/dbraw/zinc/43/81/66/564438166.db2.gz CUVKUOFHFHIRES-ZDUSSCGKSA-N 1 0 375.296 2.725 20 0 GFADRO Cc1cc(Br)cn2cc(CC[NH2+]Cc3cnc4cnccn34)nc12 ZINC000546058963 564441872 /nfs/dbraw/zinc/44/18/72/564441872.db2.gz HLDVGIJZHXALMC-UHFFFAOYSA-N 1 0 385.269 2.780 20 0 GFADRO CC(C)[N@@H+](Cc1ccc(Br)cc1)C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000513896680 564442156 /nfs/dbraw/zinc/44/21/56/564442156.db2.gz CORDWBMORDLURR-HNNXBMFYSA-N 1 0 389.359 2.941 20 0 GFADRO CS(=O)(=O)N1CC[C@@H](C[N@H+](Cc2ccc(C(F)(F)F)cc2)C2CC2)C1 ZINC000513965365 564444144 /nfs/dbraw/zinc/44/41/44/564444144.db2.gz XQUPHQKIIAYQBD-AWEZNQCLSA-N 1 0 376.444 2.951 20 0 GFADRO C[NH+](C)CCOc1cc(C(=O)NCc2ccsc2Br)ccn1 ZINC000514010986 564444740 /nfs/dbraw/zinc/44/47/40/564444740.db2.gz INAYXYLOTQLKPF-UHFFFAOYSA-N 1 0 384.299 2.776 20 0 GFADRO C[N@H+](CCCOc1cccc(I)c1)CC1(O)CCC1 ZINC000546094144 564444850 /nfs/dbraw/zinc/44/48/50/564444850.db2.gz SABXMWKRCXYUKC-UHFFFAOYSA-N 1 0 375.250 2.907 20 0 GFADRO CN1C(=O)C[C@@H](C(=O)NCC[N@H+](C)C2CC2)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000479640773 564446375 /nfs/dbraw/zinc/44/63/75/564446375.db2.gz WGNFFYBELZSBTH-CXAGYDPISA-N 1 0 384.307 2.723 20 0 GFADRO COCCN1CC[C@H]([NH2+][C@@H](C)c2ccc(F)c(I)c2)C1 ZINC000453109475 564446583 /nfs/dbraw/zinc/44/65/83/564446583.db2.gz MUFVWFISKMUZOG-AAEUAGOBSA-N 1 0 392.256 2.802 20 0 GFADRO CC[C@@H]([NH2+]C[C@H]1CCN(S(C)(=O)=O)C1)c1ccccc1Br ZINC000514141559 564447084 /nfs/dbraw/zinc/44/70/84/564447084.db2.gz HBNMTDCJCHTGCE-IUODEOHRSA-N 1 0 375.332 2.771 20 0 GFADRO C[C@H]([NH2+][C@H]1CCC(=O)N(C)C1)c1ccc(F)c(I)c1 ZINC000453106824 564447216 /nfs/dbraw/zinc/44/72/16/564447216.db2.gz FOFMFNGHPOQOBH-ONGXEEELSA-N 1 0 376.213 2.702 20 0 GFADRO CCOC(=O)[C@@H](C)[C@@H](C)[NH2+]CCS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000514241556 564447889 /nfs/dbraw/zinc/44/78/89/564447889.db2.gz LEKCHWYRLMDPGV-WDEREUQCSA-N 1 0 382.309 2.944 20 0 GFADRO O=C(NC[C@@H]1C[NH2+]CCO1)c1cccnc1Oc1ccc(Cl)cc1Cl ZINC000569101873 564448880 /nfs/dbraw/zinc/44/88/80/564448880.db2.gz FJFAGUYQZZJSKU-LBPRGKRZSA-N 1 0 382.247 2.899 20 0 GFADRO C[C@H]([NH2+][C@@H](C)c1ccc(F)c(I)c1)C(=O)NCCF ZINC000453205021 564449704 /nfs/dbraw/zinc/44/97/04/564449704.db2.gz COTQAFLMBIRYGK-IUCAKERBSA-N 1 0 382.192 2.555 20 0 GFADRO C[C@@H]([NH2+][C@@H](CO)C1CCOCC1)c1ccc(F)c(I)c1 ZINC000453198003 564450185 /nfs/dbraw/zinc/45/01/85/564450185.db2.gz UNFUESUTUQDHPY-BMIGLBTASA-N 1 0 393.240 2.868 20 0 GFADRO O=C(CCNC(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1)Nc1cc(Cl)cc(Cl)c1 ZINC000514591512 564450394 /nfs/dbraw/zinc/45/03/94/564450394.db2.gz GDCAREOJRVNNFJ-XHDPSFHLSA-N 1 0 385.295 2.715 20 0 GFADRO CN(C(=O)c1ccn(-c2ccc(Br)cc2)n1)[C@@H]1C[NH+]2CCC1CC2 ZINC000569131642 564450729 /nfs/dbraw/zinc/45/07/29/564450729.db2.gz YHNOXZNAEYAVMT-QGZVFWFLSA-N 1 0 389.297 2.801 20 0 GFADRO CC[C@H](COCC(F)(F)F)[NH2+][C@@H]1CCCc2cc(S(N)(=O)=O)ccc21 ZINC000453258157 564451112 /nfs/dbraw/zinc/45/11/12/564451112.db2.gz OFWAZUZNFRQYLN-IUODEOHRSA-N 1 0 380.432 2.659 20 0 GFADRO CC[NH2+][C@H](C)CNS(=O)(=O)c1ccc(Br)c(C(F)(F)F)c1 ZINC000479794990 564451206 /nfs/dbraw/zinc/45/12/06/564451206.db2.gz IAWQLTQFSCHDPD-MRVPVSSYSA-N 1 0 389.237 2.744 20 0 GFADRO CC[C@@H](CNS(C)(=O)=O)[NH2+][C@@H]1CCCOc2ccc(Br)cc21 ZINC000453288642 564452099 /nfs/dbraw/zinc/45/20/99/564452099.db2.gz RJKDGAQUNFZGQO-GXTWGEPZSA-N 1 0 391.331 2.580 20 0 GFADRO O=S1(=O)CCC[C@@H](C[NH2+]Cc2cccc(Br)c2OC(F)F)C1 ZINC000569208180 564453253 /nfs/dbraw/zinc/45/32/53/564453253.db2.gz XINQTIDZIRSDRD-JTQLQIEISA-N 1 0 398.269 2.965 20 0 GFADRO CC[C@@H](Cn1cncn1)[NH2+]C[C@H](CO)Cc1cccc(Br)c1C ZINC000453352210 564453986 /nfs/dbraw/zinc/45/39/86/564453986.db2.gz HHLATQQKIGHHGI-ZBFHGGJFSA-N 1 0 381.318 2.568 20 0 GFADRO COc1ccc(Br)cc1C[C@H](CO)C[NH2+][C@H](C)Cc1cnccn1 ZINC000453369820 564454784 /nfs/dbraw/zinc/45/47/84/564454784.db2.gz NHYQFGCGWRYAHE-KGLIPLIRSA-N 1 0 394.313 2.620 20 0 GFADRO CCO[C@@H]1C[C@H]([NH2+]CCS(=O)(=O)NC(C)(C)C)[C@H]1Sc1ccccc1 ZINC000514716503 564455103 /nfs/dbraw/zinc/45/51/03/564455103.db2.gz DXNGHFVIFWUGBK-GVDBMIGSSA-N 1 0 386.583 2.632 20 0 GFADRO C[C@H]([NH2+][C@@H]1CC[C@H](C(N)=O)C1)c1ccc(F)c(I)c1 ZINC000453363242 564455193 /nfs/dbraw/zinc/45/51/93/564455193.db2.gz MLUPFXZYDFLNOR-INTQDDNPSA-N 1 0 376.213 2.735 20 0 GFADRO C[C@@H]([NH2+]CCN1CCC(O)CC1)c1ccc(F)c(I)c1 ZINC000453387664 564455804 /nfs/dbraw/zinc/45/58/04/564455804.db2.gz WQVKTUJKYNJPIX-LLVKDONJSA-N 1 0 392.256 2.538 20 0 GFADRO CC(C)[N@@H+]1CCCN(c2nnc(-c3cc(Br)cn3C)n2C)CC1 ZINC000453451408 564457385 /nfs/dbraw/zinc/45/73/85/564457385.db2.gz RYSCRKIURGBVNQ-UHFFFAOYSA-N 1 0 381.322 2.504 20 0 GFADRO C[C@]1(C[NH2+]Cc2cc(Br)cc(Br)c2)CCC(=O)N1 ZINC000453584427 564458999 /nfs/dbraw/zinc/45/89/99/564458999.db2.gz DZNXCYGLDANTQP-CYBMUJFWSA-N 1 0 376.092 2.970 20 0 GFADRO CCn1c(SCC(=O)N(C)CC[NH+](C)C)nnc1-c1ccc(Cl)cc1 ZINC000480089937 564459783 /nfs/dbraw/zinc/45/97/83/564459783.db2.gz KHYKIGYSRBIBHH-UHFFFAOYSA-N 1 0 381.933 2.731 20 0 GFADRO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)Nc1cc(Br)ccn1 ZINC000480137726 564461309 /nfs/dbraw/zinc/46/13/09/564461309.db2.gz POPXZJLQSYKFBN-CQSZACIVSA-N 1 0 376.302 2.862 20 0 GFADRO O=C1[C@H]([NH2+]C2CCN(CC(F)F)CC2)CCN1c1ccc(F)c(Cl)c1 ZINC000569404071 564462167 /nfs/dbraw/zinc/46/21/67/564462167.db2.gz BWBAHEAIEHBQHV-OAHLLOKOSA-N 1 0 375.822 2.904 20 0 GFADRO CC(C)[C@H](O)CC[NH2+][C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000480172344 564462485 /nfs/dbraw/zinc/46/24/85/564462485.db2.gz SRQWNDSFOVEYRX-UONOGXRCSA-N 1 0 376.316 2.664 20 0 GFADRO CC[C@H](C)N(C)CC[NH2+][C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000480230598 564465309 /nfs/dbraw/zinc/46/53/09/564465309.db2.gz WKLXPINNGYLNCT-SWLSCSKDSA-N 1 0 389.359 2.988 20 0 GFADRO O=C1C[C@@H](C[NH2+]Cc2nc(-c3ccc(Br)cc3)c[nH]2)CN1C1CC1 ZINC000515069170 564468158 /nfs/dbraw/zinc/46/81/58/564468158.db2.gz YUWMKCJLMNBIGH-LBPRGKRZSA-N 1 0 389.297 2.940 20 0 GFADRO O=S1(=O)CC[C@@H]([NH2+]C2CCN(C3CC3)CC2)c2cc(Br)ccc21 ZINC000480323711 564468394 /nfs/dbraw/zinc/46/83/94/564468394.db2.gz DTHIHYJNFPOSLU-MRXNPFEDSA-N 1 0 399.354 2.884 20 0 GFADRO COc1cc(Cl)c(S(=O)(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1Cl ZINC000569575334 564469253 /nfs/dbraw/zinc/46/92/53/564469253.db2.gz IVKUWJQBGSCPKO-PHIMTYICSA-N 1 0 379.309 2.622 20 0 GFADRO Cc1cc(Br)cn2cc(CNC(=O)NCCC[NH+]3CCCC3)nc12 ZINC000546827796 564470832 /nfs/dbraw/zinc/47/08/32/564470832.db2.gz HKIHNSZIWDQZIY-UHFFFAOYSA-N 1 0 394.317 2.690 20 0 GFADRO CSc1ccc(Cl)cc1NC(=O)C(=O)N1CC[N@@H+](C2CC2)C[C@H](C)C1 ZINC000453772252 564470962 /nfs/dbraw/zinc/47/09/62/564470962.db2.gz WSJMAYOBAATYLG-LBPRGKRZSA-N 1 0 381.929 2.943 20 0 GFADRO CN(C(=O)C[N@H+](C)[C@H]1CCSC1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000480440258 564473702 /nfs/dbraw/zinc/47/37/02/564473702.db2.gz UCBCQCIIVBIQJK-XNJJOIOASA-N 1 0 389.348 2.847 20 0 GFADRO COc1cc(Br)ccc1CCC[N@@H+]1CC[C@@H](NC(=O)NC2CC2)C1 ZINC000546918129 564474566 /nfs/dbraw/zinc/47/45/66/564474566.db2.gz HIRSXHJSRJMHFA-MRXNPFEDSA-N 1 0 396.329 2.926 20 0 GFADRO Cc1ccc(CS(=O)(=O)NCC2([NH+]3CCSCC3)CCCC2)c(F)c1 ZINC000480476261 564475379 /nfs/dbraw/zinc/47/53/79/564475379.db2.gz ONVFCTCVPXQAQK-UHFFFAOYSA-N 1 0 386.558 2.915 20 0 GFADRO CCSc1nnc(NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)s1 ZINC000569736165 564475923 /nfs/dbraw/zinc/47/59/23/564475923.db2.gz QQSGROXIFIPLCU-OCCSQVGLSA-N 1 0 377.539 3.435 20 0 GFADRO O=C(NCCc1nc(C(F)(F)F)cs1)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000515402498 564478352 /nfs/dbraw/zinc/47/83/52/564478352.db2.gz UCQYZFFFMOZFIP-GFCCVEGCSA-N 1 0 376.448 2.878 20 0 GFADRO O=S(=O)(c1cc(Cl)ccc1OC(F)F)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000569810667 564479270 /nfs/dbraw/zinc/47/92/70/564479270.db2.gz OGUYEKILHZTJQM-NEPJUHHUSA-N 1 0 394.871 2.952 20 0 GFADRO C[NH2+][C@H](CC(C)(C)C)C(=O)NC[C@@H](O)COc1cccc(Cl)c1Cl ZINC000569840768 564480201 /nfs/dbraw/zinc/48/02/01/564480201.db2.gz HDRSWSKLRKTNRZ-DGCLKSJQSA-N 1 0 377.312 2.874 20 0 GFADRO COC(=O)c1ccc(S(=O)(=O)NCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)s1 ZINC000515521898 564480845 /nfs/dbraw/zinc/48/08/45/564480845.db2.gz SKCUCDSBBQGMPU-ZIAGYGMSSA-N 1 0 388.555 2.571 20 0 GFADRO CC(C)(CS(C)(=O)=O)[NH2+]Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000547287060 564482409 /nfs/dbraw/zinc/48/24/09/564482409.db2.gz YNWZXJZUOGIZMR-UHFFFAOYSA-N 1 0 386.315 2.548 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)C1CCN(C(=O)c2ccc(Cl)s2)CC1)C1CC1 ZINC000515995792 564491239 /nfs/dbraw/zinc/49/12/39/564491239.db2.gz DOPQKRFXWQDKQD-AWEZNQCLSA-N 1 0 383.945 2.710 20 0 GFADRO CC[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)NCC1CC[NH2+]CC1 ZINC000516027359 564491692 /nfs/dbraw/zinc/49/16/92/564491692.db2.gz DPHBPJBTSXFLNX-OAHLLOKOSA-N 1 0 386.323 2.547 20 0 GFADRO C[C@H](NS(=O)(=O)c1ccc(Br)cn1)[C@H](c1ccccc1)[NH+](C)C ZINC000480892706 564493867 /nfs/dbraw/zinc/49/38/67/564493867.db2.gz CCKMOVOZJXHZBX-BLLLJJGKSA-N 1 0 398.326 2.814 20 0 GFADRO Cc1ccc(NC(=O)C(=O)NCC[N@@H+]2CCCC2(C)C)cc1Br ZINC000454064926 564495570 /nfs/dbraw/zinc/49/55/70/564495570.db2.gz DQPZFDZWKNYHAZ-UHFFFAOYSA-N 1 0 382.302 2.687 20 0 GFADRO O=S(=O)(c1ccc(C(F)(F)F)cn1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000480994520 564499784 /nfs/dbraw/zinc/49/97/84/564499784.db2.gz ZNWDDKRTHBGLDS-ZDUSSCGKSA-N 1 0 377.432 2.597 20 0 GFADRO COc1cc(C(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc(OC)c1Br ZINC000516462747 564502209 /nfs/dbraw/zinc/50/22/09/564502209.db2.gz KBVBYOBTWQHDLP-QWHCGFSZSA-N 1 0 397.313 2.928 20 0 GFADRO COc1cc(C(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc(OC)c1Br ZINC000516462748 564502578 /nfs/dbraw/zinc/50/25/78/564502578.db2.gz KBVBYOBTWQHDLP-STQMWFEESA-N 1 0 397.313 2.928 20 0 GFADRO Cc1cc(F)c(Br)cc1S(=O)(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000481068180 564502557 /nfs/dbraw/zinc/50/25/57/564502557.db2.gz HKLRLVSAHFAAKU-KGLIPLIRSA-N 1 0 391.306 2.802 20 0 GFADRO Cc1cc(F)c(Br)cc1NC[C@@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000570390843 564503723 /nfs/dbraw/zinc/50/37/23/564503723.db2.gz QJJPYTHFPIKQHF-FRRDWIJNSA-N 1 0 375.282 2.779 20 0 GFADRO O=C(COc1ccc(F)cc1Br)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000570396084 564503805 /nfs/dbraw/zinc/50/38/05/564503805.db2.gz WZMVPZFSKBJRKO-QWHCGFSZSA-N 1 0 385.277 2.815 20 0 GFADRO Cc1nc(CNC(=O)NCC[N@H+]2CCCC[C@H]2C)sc1Br ZINC000454273999 564504744 /nfs/dbraw/zinc/50/47/44/564504744.db2.gz JNNMDZKGHOMRAM-SNVBAGLBSA-N 1 0 375.336 2.888 20 0 GFADRO C[C@H](NCCC[NH+]1CCC(O)CC1)c1ccccc1I ZINC000481175370 564505000 /nfs/dbraw/zinc/50/50/00/564505000.db2.gz PVWOQOUOCGVSKW-ZDUSSCGKSA-N 1 0 388.293 2.789 20 0 GFADRO Cc1ncsc1CCS(=O)(=O)N[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000570480361 564506968 /nfs/dbraw/zinc/50/69/68/564506968.db2.gz ZMDDMXLBHVWGIL-WBVHZDCISA-N 1 0 379.551 2.749 20 0 GFADRO CSC1(CNC(=O)NCc2c(F)cc(F)c(F)c2F)CC[NH+](C)CC1 ZINC000516610451 564507152 /nfs/dbraw/zinc/50/71/52/564507152.db2.gz KYQCIRKNCSROJE-UHFFFAOYSA-N 1 0 379.423 2.870 20 0 GFADRO C[C@@H](NC(=O)[C@@H]1CC(=O)Nc2ccc(Br)cc21)C1=CC[N@H+](C)CC1 ZINC000570496508 564508381 /nfs/dbraw/zinc/50/83/81/564508381.db2.gz VDUGWEODDDXWNI-IAQYHMDHSA-N 1 0 392.297 2.642 20 0 GFADRO CN(C)[C@@H](CNC(=O)NC[C@]1([NH+](C)C)CCSC1)c1ccccc1Cl ZINC000481279933 564509352 /nfs/dbraw/zinc/50/93/52/564509352.db2.gz ZCNKKMDUFDJORI-FUHWJXTLSA-N 1 0 384.977 2.679 20 0 GFADRO C[NH+](C)[C@@]1(CNC(=O)NCc2ccc(Br)s2)CCSC1 ZINC000481295141 564509479 /nfs/dbraw/zinc/50/94/79/564509479.db2.gz VRPXYDNHMGCLHM-CYBMUJFWSA-N 1 0 378.361 2.747 20 0 GFADRO Cc1cc(NC(=O)c2cc[nH]c(=O)c2Br)n(C2CC[NH+](C)CC2)n1 ZINC000516707601 564509698 /nfs/dbraw/zinc/50/96/98/564509698.db2.gz KXFCNLQVMBQABR-UHFFFAOYSA-N 1 0 394.273 2.574 20 0 GFADRO C[C@@H](C(=O)N(C)CCn1cc(Br)cn1)[N@@H+]1CCc2ccccc2C1 ZINC000516899801 564515318 /nfs/dbraw/zinc/51/53/18/564515318.db2.gz WPYCLZLTSKREKL-AWEZNQCLSA-N 1 0 391.313 2.551 20 0 GFADRO Cc1nc(CNC(=O)N[C@H](C)C[NH+]2CCCCC2)sc1Br ZINC000454611801 564515826 /nfs/dbraw/zinc/51/58/26/564515826.db2.gz HHALPKCPOYORGM-SNVBAGLBSA-N 1 0 375.336 2.888 20 0 GFADRO C[NH+](C)[C@@]1(CNC(=O)NCCOc2ccc(Cl)c(F)c2)CCSC1 ZINC000454611405 564515945 /nfs/dbraw/zinc/51/59/45/564515945.db2.gz REPFYCWBXUQGGT-MRXNPFEDSA-N 1 0 375.897 2.594 20 0 GFADRO COCC[N@H+](C)CCCNC(=O)NC/C=C/c1ccc(Br)cc1 ZINC000454598953 564515964 /nfs/dbraw/zinc/51/59/64/564515964.db2.gz HTADHINBFKYOAB-HWKANZROSA-N 1 0 384.318 2.730 20 0 GFADRO OC[C@H](C[NH2+]C[C@H](O)COc1ccccc1)Cc1cccc(Br)c1 ZINC000516927698 564516859 /nfs/dbraw/zinc/51/68/59/564516859.db2.gz WAHAICNMRSJVBP-WMZOPIPTSA-N 1 0 394.309 2.630 20 0 GFADRO CC(C)Sc1ccc(Cl)cc1NC(=O)C1(S(C)(=O)=O)CC[NH2+]CC1 ZINC000570685123 564517097 /nfs/dbraw/zinc/51/70/97/564517097.db2.gz NYJNOMXSWDSDHC-UHFFFAOYSA-N 1 0 390.958 2.946 20 0 GFADRO COc1c(Cl)cc(NC(=O)NC[C@@H]2CCCC[N@@H+]2CCO)cc1Cl ZINC000454676297 564518736 /nfs/dbraw/zinc/51/87/36/564518736.db2.gz PBGDCKPSQSITQB-LBPRGKRZSA-N 1 0 376.284 2.970 20 0 GFADRO Cc1cc(CC[NH2+]C[C@@H](O)COc2ccc(Cl)cc2Br)on1 ZINC000570837506 564523122 /nfs/dbraw/zinc/52/31/22/564523122.db2.gz YEQKWXQSSBOYJG-GFCCVEGCSA-N 1 0 389.677 2.971 20 0 GFADRO OC[C@H](C[NH2+]Cc1ccc(OC(F)F)c(Br)c1)[C@H]1CCOC1 ZINC000481823878 564524808 /nfs/dbraw/zinc/52/48/08/564524808.db2.gz LCVWCPOQJQWANK-RYUDHWBXSA-N 1 0 380.229 2.785 20 0 GFADRO OC[C@H](C[NH2+]Cc1ccc(OC(F)F)c(Br)c1)[C@@H]1CCOC1 ZINC000481823875 564524815 /nfs/dbraw/zinc/52/48/15/564524815.db2.gz LCVWCPOQJQWANK-NEPJUHHUSA-N 1 0 380.229 2.785 20 0 GFADRO O=C(NC[C@H]1CCC[N@H+]1CCCO)Nc1c(F)cc(Br)cc1F ZINC000454874745 564524809 /nfs/dbraw/zinc/52/48/09/564524809.db2.gz UUYGGDSZRJBEDY-LLVKDONJSA-N 1 0 392.244 2.696 20 0 GFADRO CO[C@@H]1CCN(C(=O)[C@H](C)Sc2ccc(Br)cc2)[C@@H](C[NH3+])C1 ZINC000517125198 564525393 /nfs/dbraw/zinc/52/53/93/564525393.db2.gz BZKOBCNEHIODAD-IACUBPJLSA-N 1 0 387.343 2.894 20 0 GFADRO CCNC(=O)NC(=O)[C@H](C)[N@H+](C)[C@H](CC)Cc1ccccc1Br ZINC000481849740 564526201 /nfs/dbraw/zinc/52/62/01/564526201.db2.gz XKVDWTWRQTYJGE-GXTWGEPZSA-N 1 0 384.318 2.936 20 0 GFADRO [NH3+][C@H]1CCC[C@H](CNS(=O)(=O)c2cc(Br)ccc2Cl)C1 ZINC000570964236 564529631 /nfs/dbraw/zinc/52/96/31/564529631.db2.gz IPRHCSJTPZDVQS-ONGXEEELSA-N 1 0 381.723 2.898 20 0 GFADRO CC1(C)C[C@H]([NH2+]Cc2cc(=O)n3cc(Br)ccc3n2)C(C)(C)O1 ZINC000548073916 564530296 /nfs/dbraw/zinc/53/02/96/564530296.db2.gz LHBDOZCSKMFJCX-ZDUSSCGKSA-N 1 0 380.286 2.893 20 0 GFADRO CN(C)Cc1ccc(NC(=O)c2conc2C(C)(C)[NH3+])cc1Br ZINC000517391985 564532795 /nfs/dbraw/zinc/53/27/95/564532795.db2.gz YQUGBJCBVUQLES-UHFFFAOYSA-N 1 0 381.274 2.945 20 0 GFADRO C[C@H](CCNC(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1)[S@](C)=O ZINC000482098633 564534138 /nfs/dbraw/zinc/53/41/38/564534138.db2.gz LJSITQDWCDRPRA-RKPUJPDHSA-N 1 0 385.599 2.977 20 0 GFADRO CSCC[C@H](C)N(C)C(=O)C(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000571084556 564535554 /nfs/dbraw/zinc/53/55/54/564535554.db2.gz VYZMKHWHVRMLGX-XJKSGUPXSA-N 1 0 385.961 2.659 20 0 GFADRO Cc1cc(Br)cc(NC(=O)C(=O)N2CCC3(CC[NH2+]CC3)CC2)c1 ZINC000517535945 564535565 /nfs/dbraw/zinc/53/55/65/564535565.db2.gz PHCIXDPZVZQBOE-UHFFFAOYSA-N 1 0 394.313 2.688 20 0 GFADRO CC(C)[NH2+]CCCNC(=O)C(=O)Nc1ccc(Br)cc1Cl ZINC000517535462 564535911 /nfs/dbraw/zinc/53/59/11/564535911.db2.gz HCWQLWXBSCRHNC-UHFFFAOYSA-N 1 0 376.682 2.545 20 0 GFADRO COc1cc2[nH+]ccc(NCC3CCS(=O)(=O)CC3)c2cc1Br ZINC000517558450 564536872 /nfs/dbraw/zinc/53/68/72/564536872.db2.gz UULNIVRYICKFLP-UHFFFAOYSA-N 1 0 399.310 2.665 20 0 GFADRO CC[NH+]1CCC(CNC(=O)c2cc(I)ccc2F)CC1 ZINC000571136488 564537497 /nfs/dbraw/zinc/53/74/97/564537497.db2.gz PJJLNZYKAMAOPN-UHFFFAOYSA-N 1 0 390.240 2.892 20 0 GFADRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)CNC(=O)c1ccc(Cl)cc1Cl ZINC000517907216 564543030 /nfs/dbraw/zinc/54/30/30/564543030.db2.gz WUNPCWFEVSGCDW-JSGCOSHPSA-N 1 0 384.307 2.808 20 0 GFADRO C[C@H]1C[C@H](NC(=O)c2ccccc2-n2cc(Br)cn2)C[N@@H+]1C1CC1 ZINC000571273497 564543998 /nfs/dbraw/zinc/54/39/98/564543998.db2.gz RCPAXOUJSQHJKW-JSGCOSHPSA-N 1 0 389.297 2.990 20 0 GFADRO C[C@@H](NC(=O)C[NH2+][C@H](CO)C1CCOCC1)c1ccc(Cl)c(Cl)c1 ZINC000571314936 564545309 /nfs/dbraw/zinc/54/53/09/564545309.db2.gz VCAWHIDUIHVLFE-BDJLRTHQSA-N 1 0 375.296 2.548 20 0 GFADRO O=C(Nc1nc(C2CC[NH2+]CC2)cs1)[C@H]1CCCN(CC(F)(F)F)C1 ZINC000571313336 564545865 /nfs/dbraw/zinc/54/58/65/564545865.db2.gz SDXBFPQURHUKSM-LBPRGKRZSA-N 1 0 376.448 2.823 20 0 GFADRO Cc1cc(S(=O)(=O)N2CC[C@]3(C2)CCC[NH2+]C3)c(F)cc1Br ZINC000518184788 564547901 /nfs/dbraw/zinc/54/79/01/564547901.db2.gz GFUKMDXKZREZOY-OAHLLOKOSA-N 1 0 391.306 2.661 20 0 GFADRO O=C(NCCC[C@@H]1CCC[NH2+]1)[C@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1 ZINC000518167768 564547916 /nfs/dbraw/zinc/54/79/16/564547916.db2.gz DSZPAXJAHMMWSY-WFASDCNBSA-N 1 0 384.307 2.995 20 0 GFADRO O=C(NC[C@H]1CCCC[N@H+]1CCO)[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000571394172 564549069 /nfs/dbraw/zinc/54/90/69/564549069.db2.gz XBNYHEFDKNGFBA-IXDOHACOSA-N 1 0 381.314 2.516 20 0 GFADRO CC(C)[N@H+](C)C[C@H](C)NC(=O)C(=O)Nc1ccc(Cl)cc1OC(F)F ZINC000518265705 564549677 /nfs/dbraw/zinc/54/96/77/564549677.db2.gz STUHRWWUJJPKDI-JTQLQIEISA-N 1 0 377.819 2.725 20 0 GFADRO Cc1ccc(C(=O)N(C)[C@H]2CC[N@@H+](C3CC3)C2)cc1I ZINC000518367175 564551350 /nfs/dbraw/zinc/55/13/50/564551350.db2.gz DGSCQQPBFVPKIG-AWEZNQCLSA-N 1 0 384.261 2.908 20 0 GFADRO O=C(N1CCO[C@H](c2ccc(Br)cc2)C1)C12CCC[NH+]1CCC2 ZINC000548414121 564551999 /nfs/dbraw/zinc/55/19/99/564551999.db2.gz KZNVOZVOYZVPRA-INIZCTEOSA-N 1 0 379.298 2.977 20 0 GFADRO COc1ccc(CN2C[C@H](C[NH3+])C3(C2)CCOCC3)c(Br)c1OC ZINC000571443473 564552050 /nfs/dbraw/zinc/55/20/50/564552050.db2.gz PYCSLOFXVDLRJR-AWEZNQCLSA-N 1 0 399.329 2.654 20 0 GFADRO C[C@@H](CNC(=O)N1CCO[C@H](c2ccc(Br)cc2)[C@@H]1C)[NH+](C)C ZINC000455429703 564553673 /nfs/dbraw/zinc/55/36/73/564553673.db2.gz JKFPPVNOXSSEMK-XEZPLFJOSA-N 1 0 384.318 2.871 20 0 GFADRO COCCCOc1ccc(Cl)cc1S(=O)(=O)N[C@H](C)C[N@H+](C)C(C)C ZINC000518443094 564554018 /nfs/dbraw/zinc/55/40/18/564554018.db2.gz AKCSQQZZPBKQBS-CQSZACIVSA-N 1 0 392.949 2.762 20 0 GFADRO CC(=O)N[C@H](CC(=O)NC[C@]1(C)CCC[NH2+]C1)c1ccc(Br)cc1 ZINC000571524042 564555055 /nfs/dbraw/zinc/55/50/55/564555055.db2.gz ZAVSHKADMBGOBB-SJLPKXTDSA-N 1 0 396.329 2.522 20 0 GFADRO CN(Cc1ccc(Cl)s1)C(=O)C[N@H+](C)[C@H](CC(N)=O)c1ccccc1 ZINC000483098096 564558890 /nfs/dbraw/zinc/55/88/90/564558890.db2.gz AZTQFIKDXLCORO-OAHLLOKOSA-N 1 0 379.913 2.908 20 0 GFADRO C[C@H](CO)[N@@H+]1CCCN(C(=O)Nc2ccc(Br)c(C3CC3)n2)CC1 ZINC000455604361 564559935 /nfs/dbraw/zinc/55/99/35/564559935.db2.gz VXACDVBXAJFSIG-GFCCVEGCSA-N 1 0 397.317 2.642 20 0 GFADRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)CNC(=O)c1ccc(Cl)c(Cl)c1 ZINC000518743402 564560774 /nfs/dbraw/zinc/56/07/74/564560774.db2.gz CRKIWCIOCVNZGV-WBMJQRKESA-N 1 0 384.307 2.808 20 0 GFADRO C[C@H](CNC(=O)C(C)(C)S(=O)(=O)c1ccc(Cl)cc1)C[NH+]1CCCC1 ZINC000483221063 564560927 /nfs/dbraw/zinc/56/09/27/564560927.db2.gz MRKXLWMYFCNANP-CQSZACIVSA-N 1 0 386.945 2.740 20 0 GFADRO OC[C@@H]([NH2+]CCN1C[C@H]2CC[C@@H](C1)O2)c1ccc(Cl)cc1C(F)(F)F ZINC000483262669 564561442 /nfs/dbraw/zinc/56/14/42/564561442.db2.gz XADURGAUDXIQGY-DVOMOZLQSA-N 1 0 378.822 2.845 20 0 GFADRO C[NH+]1CCC(CNC(=O)Nc2ccn(-c3ccc(Br)cc3)n2)CC1 ZINC000455636764 564561552 /nfs/dbraw/zinc/56/15/52/564561552.db2.gz YFLZHBRIOVHLAO-UHFFFAOYSA-N 1 0 392.301 3.098 20 0 GFADRO C[C@]1(C(N)=O)CC[N@H+](CC(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000483291717 564563083 /nfs/dbraw/zinc/56/30/83/564563083.db2.gz RHWQZXGKSKTOAM-QAPCUYQASA-N 1 0 384.307 2.854 20 0 GFADRO O=S(=O)(c1ccc(C[NH2+]C2CCC(C(F)F)CC2)s1)N1CCOCC1 ZINC000571743700 564564415 /nfs/dbraw/zinc/56/44/15/564564415.db2.gz FFWZQKCFDIWKST-UHFFFAOYSA-N 1 0 394.509 2.683 20 0 GFADRO COc1ccc(C[NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)c(C)c1 ZINC000571861727 564570100 /nfs/dbraw/zinc/57/01/00/564570100.db2.gz RQCLKDIDSAXQIT-UHFFFAOYSA-N 1 0 399.310 2.703 20 0 GFADRO CC1(C)CCC[NH2+][C@@H]1CNC(=O)Cc1cc2c(cc1Br)OCCO2 ZINC000519140537 564570411 /nfs/dbraw/zinc/57/04/11/564570411.db2.gz NPLSJNMHLXHVRS-MRXNPFEDSA-N 1 0 397.313 2.657 20 0 GFADRO COCCC[NH+]1CCC(NC(=O)Nc2cc(Br)cnc2C)CC1 ZINC000455795332 564571447 /nfs/dbraw/zinc/57/14/47/564571447.db2.gz GJVRDZQTDIJVHE-UHFFFAOYSA-N 1 0 385.306 2.775 20 0 GFADRO Cc1ncc(Br)cc1NC(=O)N(CC[NH+](C)C)C[C@H]1CCCO1 ZINC000455795286 564571600 /nfs/dbraw/zinc/57/16/00/564571600.db2.gz GDHXIJXIQKJXIY-CQSZACIVSA-N 1 0 385.306 2.727 20 0 GFADRO NC(=O)[C@@H]([NH2+]CCc1ccn(-c2ccccc2)n1)c1ccc(Br)cc1 ZINC000519228185 564571945 /nfs/dbraw/zinc/57/19/45/564571945.db2.gz JCNWSBOLQBMMDU-SFHVURJKSA-N 1 0 399.292 2.994 20 0 GFADRO NC(=O)[C@H]([NH2+]CCNc1ccc([N+](=O)[O-])cc1)c1ccc(Br)cc1 ZINC000519228427 564572398 /nfs/dbraw/zinc/57/23/98/564572398.db2.gz QMAHZXLKUOVISA-OAHLLOKOSA-N 1 0 393.241 2.585 20 0 GFADRO Cc1ncc(Br)cc1NC(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000455825729 564573023 /nfs/dbraw/zinc/57/30/23/564573023.db2.gz BUUOMLVGGWWQQL-TXEJJXNPSA-N 1 0 385.306 2.773 20 0 GFADRO C[N@H+](C[C@H](O)CN1CCC(Oc2cccc(Br)c2)CC1)C1CC1 ZINC000571961861 564574472 /nfs/dbraw/zinc/57/44/72/564574472.db2.gz PYFHEZDLITWDAO-INIZCTEOSA-N 1 0 383.330 2.747 20 0 GFADRO CC(C)[NH+](CCCNC(=O)Nc1nc2cc(Br)ccn2n1)C(C)C ZINC000455853042 564575003 /nfs/dbraw/zinc/57/50/03/564575003.db2.gz CCNGCUBWULZXRG-UHFFFAOYSA-N 1 0 397.321 3.122 20 0 GFADRO COCC[N@@H+]1CC[C@@H](NC(=O)Cn2c(C)c(Br)c3ccccc32)C1 ZINC000519365946 564576084 /nfs/dbraw/zinc/57/60/84/564576084.db2.gz CTUPZMJGODVACL-CQSZACIVSA-N 1 0 394.313 2.549 20 0 GFADRO CC(C)[N@H+](C)CC(=O)N1CCN(Cc2ccc(Br)c(F)c2)CC1 ZINC000483890978 564577499 /nfs/dbraw/zinc/57/74/99/564577499.db2.gz IOSJIHWYQFBZTB-UHFFFAOYSA-N 1 0 386.309 2.573 20 0 GFADRO O=C(NCCc1ccc(F)c(Br)c1)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000572026867 564578259 /nfs/dbraw/zinc/57/82/59/564578259.db2.gz HNXKPFABZBABTP-CQSZACIVSA-N 1 0 395.276 2.682 20 0 GFADRO C[C@H](CNC(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1)Oc1cccc(Br)c1 ZINC000519530305 564580118 /nfs/dbraw/zinc/58/01/18/564580118.db2.gz NNTFQYOQINFBQU-WWGRRREGSA-N 1 0 382.302 2.610 20 0 GFADRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)NCC(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000548914656 564581134 /nfs/dbraw/zinc/58/11/34/564581134.db2.gz VBBAHYCTRSQSED-LBPRGKRZSA-N 1 0 387.311 2.961 20 0 GFADRO CC(C)[NH+]1CCC(O)(CNC(=O)[C@@H]2C[C@H]2c2cccc(Br)c2)CC1 ZINC000455950956 564581334 /nfs/dbraw/zinc/58/13/34/564581334.db2.gz YTTUHZMXJKAWLC-DLBZAZTESA-N 1 0 395.341 2.904 20 0 GFADRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)CSc2nnc(-c3cccs3)n2C)C1 ZINC000572116413 564581509 /nfs/dbraw/zinc/58/15/09/564581509.db2.gz ORABAVIVPLEDFM-ZDUSSCGKSA-N 1 0 379.555 2.577 20 0 GFADRO O=C(Nc1ncc(Cc2cccc(Br)c2)s1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000519587794 564582389 /nfs/dbraw/zinc/58/23/89/564582389.db2.gz IGXSKYBLMTUHRA-WDNDVIMCSA-N 1 0 393.310 2.836 20 0 GFADRO COc1ccc(Br)cc1C(=O)CCC(=O)N1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000484145335 564582666 /nfs/dbraw/zinc/58/26/66/564582666.db2.gz RPFBJPWFNGHDDR-NEPJUHHUSA-N 1 0 383.286 2.616 20 0 GFADRO CCc1nc(C(=O)N2CC[C@@H]([C@H](C)[NH3+])C2)nn1-c1c(Cl)cccc1Cl ZINC000484201337 564583263 /nfs/dbraw/zinc/58/32/63/564583263.db2.gz MKGZGHMQAACXBT-WDEREUQCSA-N 1 0 382.295 2.946 20 0 GFADRO C[C@@H]1CC[N@H+](CC(=O)NC[C@@H]2CCN(c3cccc(Br)c3)C2)C1 ZINC000519602710 564583365 /nfs/dbraw/zinc/58/33/65/564583365.db2.gz GREIDJLBJKOPCB-CABCVRRESA-N 1 0 380.330 2.733 20 0 GFADRO CC[N@H+](CCNC(=O)N1CCOc2ccc(Br)cc2C1)C1CC1 ZINC000548996028 564583493 /nfs/dbraw/zinc/58/34/93/564583493.db2.gz YJGUSUBMCIHPQN-UHFFFAOYSA-N 1 0 382.302 2.837 20 0 GFADRO C[C@H]1[C@@H](NC(=O)C(=O)Nc2cccc(Cl)c2Br)CCC[N@@H+]1C ZINC000484253780 564584905 /nfs/dbraw/zinc/58/49/05/564584905.db2.gz DBYUENMGTZPBCN-ONGXEEELSA-N 1 0 388.693 2.640 20 0 GFADRO OC[C@H](C[NH2+]C[C@@H](O)Cc1ccc(F)cc1)Cc1ccc(Br)cc1 ZINC000519645540 564585554 /nfs/dbraw/zinc/58/55/54/564585554.db2.gz BRFHIFJDZDBAHZ-LPHOPBHVSA-N 1 0 396.300 2.932 20 0 GFADRO C[C@H](CCO)C1(C[NH2+]C[C@@H](O)COc2ccc(Br)cc2)CCC1 ZINC000572243227 564586278 /nfs/dbraw/zinc/58/62/78/564586278.db2.gz RHMYGGXLHONCIQ-GDBMZVCRSA-N 1 0 386.330 2.967 20 0 GFADRO OC[C@@H](C[NH2+]C[C@@H](O)COc1cccc(Br)c1)c1ccccc1 ZINC000572243155 564586358 /nfs/dbraw/zinc/58/63/58/564586358.db2.gz OHKBWQACKLKSBA-NVXWUHKLSA-N 1 0 380.282 2.555 20 0 GFADRO O=S1(=O)CCO[C@H](C[NH2+][C@@H]2CCCCc3cc(Br)ccc32)C1 ZINC000549236649 564589039 /nfs/dbraw/zinc/58/90/39/564589039.db2.gz CTCSDWMCYWVJKY-GDBMZVCRSA-N 1 0 388.327 2.620 20 0 GFADRO O=C(NC[C@H]1CCCC[N@H+]1CCO)C1(c2ccc(Br)cc2)CCC1 ZINC000519805895 564591062 /nfs/dbraw/zinc/59/10/62/564591062.db2.gz XZNXWGMKTHUDFF-QGZVFWFLSA-N 1 0 395.341 2.834 20 0 GFADRO CCO[C@@H]1COCC[C@@H]1[NH2+]CC(=O)N[C@@H](C)c1ccc(Cl)cc1Cl ZINC000484627473 564592768 /nfs/dbraw/zinc/59/27/68/564592768.db2.gz ZWZLKTVQGIMSNO-KNXALSJPSA-N 1 0 375.296 2.954 20 0 GFADRO CS[C@H]1CN(S(=O)(=O)Cc2ccc(C(F)F)cc2)C[C@@H]1[NH+]1CCCC1 ZINC000549405703 564594116 /nfs/dbraw/zinc/59/41/16/564594116.db2.gz GURWSNAECCQCIS-HOTGVXAUSA-N 1 0 390.521 2.966 20 0 GFADRO C[C@@H](Cc1ccc(Br)cc1)C(=O)N(C)CCC[N@H+](C)CCN(C)C ZINC000572441284 564594286 /nfs/dbraw/zinc/59/42/86/564594286.db2.gz CIHNQVHDCMPITE-INIZCTEOSA-N 1 0 398.389 2.970 20 0 GFADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)Nc1ccc(Br)cc1Cl ZINC000520014707 564595858 /nfs/dbraw/zinc/59/58/58/564595858.db2.gz OSOSGSOAMCRULN-JTQLQIEISA-N 1 0 390.709 2.888 20 0 GFADRO Cc1cc(Br)c(C[N@@H+]2CCC[C@H]2C[C@]2(C)NC(=O)NC2=O)s1 ZINC000572475061 564595924 /nfs/dbraw/zinc/59/59/24/564595924.db2.gz DFAYQOPMCYNBMB-BONVTDFDSA-N 1 0 386.315 2.772 20 0 GFADRO O=C(NCCOc1ccc(Br)cc1)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000520113682 564597320 /nfs/dbraw/zinc/59/73/20/564597320.db2.gz AKAJIEOYXXPYNG-CVEARBPZSA-N 1 0 382.302 2.754 20 0 GFADRO Cc1c(C(=O)NCc2cc(Br)ccc2C)nnn1C1CC[NH2+]CC1 ZINC000572519227 564598848 /nfs/dbraw/zinc/59/88/48/564598848.db2.gz FRDRCLJQFQTVQH-UHFFFAOYSA-N 1 0 392.301 2.512 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000572599819 564601235 /nfs/dbraw/zinc/60/12/35/564601235.db2.gz ORAIIOFHLHRANK-CYBMUJFWSA-N 1 0 378.274 2.607 20 0 GFADRO CN(CCCN1CC[NH+](C)CC1)C(=O)[C@H]1C[C@H]1c1cccc(Br)c1 ZINC000520310610 564601383 /nfs/dbraw/zinc/60/13/83/564601383.db2.gz CEGFYUKUASSFEW-ROUUACIJSA-N 1 0 394.357 2.649 20 0 GFADRO CN(CC[NH+]1CCCC1)C(=O)C(=O)Nc1cccc(Br)c1Cl ZINC000549698948 564601986 /nfs/dbraw/zinc/60/19/86/564601986.db2.gz LPZNEYIOTHSLTO-UHFFFAOYSA-N 1 0 388.693 2.595 20 0 GFADRO C[NH+](C)[C@H]1CCCN(C(=O)C(=O)Nc2cccc(Br)c2Cl)C1 ZINC000549717164 564603242 /nfs/dbraw/zinc/60/32/42/564603242.db2.gz QJQUNSASUACWHF-JTQLQIEISA-N 1 0 388.693 2.594 20 0 GFADRO Cc1cc(C(C)(C)[NH2+]C[C@H]2CCN(S(C)(=O)=O)C2)ccc1Br ZINC000572650828 564604540 /nfs/dbraw/zinc/60/45/40/564604540.db2.gz ZHIZJEMJLVHABL-CYBMUJFWSA-N 1 0 389.359 2.864 20 0 GFADRO C[N@H+](CC(=O)N[C@@H]1CCN(c2ccc(Br)cc2)C1)[C@H]1CCSC1 ZINC000485146380 564608302 /nfs/dbraw/zinc/60/83/02/564608302.db2.gz PZROUNPSIXRSBU-ZBFHGGJFSA-N 1 0 398.370 2.581 20 0 GFADRO COc1ccc(S(=O)(=O)N2CC([NH2+]CCc3cccc(Cl)c3)C2)cc1 ZINC000485234386 564610698 /nfs/dbraw/zinc/61/06/98/564610698.db2.gz BBLIVIGLRGUFLF-UHFFFAOYSA-N 1 0 380.897 2.554 20 0 GFADRO CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N[C@H](C)c2ccc(Br)cc2)C1 ZINC000549966418 564611780 /nfs/dbraw/zinc/61/17/80/564611780.db2.gz OPCLLQMYNYRARA-CJNGLKHVSA-N 1 0 396.329 2.569 20 0 GFADRO CCOC(=O)c1sc(NC(=O)C[NH2+]C)nc1-c1ccc(Br)cc1 ZINC000572840046 564612459 /nfs/dbraw/zinc/61/24/59/564612459.db2.gz KCHJJEGFKJCXKB-UHFFFAOYSA-N 1 0 398.282 2.907 20 0 GFADRO [NH3+]C[C@@H]1CCCC[C@@]12NC(=O)N(CCOc1ccc(Cl)cc1Cl)C2=O ZINC000520806654 564613745 /nfs/dbraw/zinc/61/37/45/564613745.db2.gz YWQQOGCLHOTTGG-APPDUMDISA-N 1 0 386.279 2.812 20 0 GFADRO CCC[NH+]1CCC(NC(=O)N2CCC(n3cc(Br)cn3)CC2)CC1 ZINC000521014823 564617088 /nfs/dbraw/zinc/61/70/88/564617088.db2.gz VMINJTVTAWVTHI-UHFFFAOYSA-N 1 0 398.349 2.867 20 0 GFADRO CCOCC(C)(C)[NH2+]CC(=O)Nc1ccc(I)cc1 ZINC000550211401 564617426 /nfs/dbraw/zinc/61/74/26/564617426.db2.gz IFMKDOXJQRUGFD-UHFFFAOYSA-N 1 0 376.238 2.634 20 0 GFADRO CC[N@H+](CCNC(=O)c1ccn(-c2ccc(Br)cc2)n1)C1CC1 ZINC000550263983 564618390 /nfs/dbraw/zinc/61/83/90/564618390.db2.gz ITPSRIHWZREJDG-UHFFFAOYSA-N 1 0 377.286 2.849 20 0 GFADRO COc1cc(C[NH2+][C@H](CC(N)=O)c2ccccc2)cc(Br)c1O ZINC000550292397 564619241 /nfs/dbraw/zinc/61/92/41/564619241.db2.gz WMHNRBPHBZQXHG-CQSZACIVSA-N 1 0 379.254 2.870 20 0 GFADRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cc3c(cc2Br)OCO3)[C@@H]1n1cccn1 ZINC000550327288 564620853 /nfs/dbraw/zinc/62/08/53/564620853.db2.gz UMWHPWXJJRVVCR-XYPHTWIQSA-N 1 0 394.269 2.883 20 0 GFADRO [NH3+]CC12CCC(CC1)CN2S(=O)(=O)c1ccc(Cl)c(Br)c1 ZINC000573105323 564623299 /nfs/dbraw/zinc/62/32/99/564623299.db2.gz BCEYLOJFHCRLAW-UHFFFAOYSA-N 1 0 393.734 2.995 20 0 GFADRO CN(CC[NH+]1CCCC1)C(=O)Nc1ccc2nccnc2c1Br ZINC000573130081 564624559 /nfs/dbraw/zinc/62/45/59/564624559.db2.gz DTVGXZQIJQADAZ-UHFFFAOYSA-N 1 0 378.274 2.952 20 0 GFADRO Cn1c2cc(Br)ccc2nc1C[NH2+]C1(CO)Cc2ccccc2C1 ZINC000485811398 564626017 /nfs/dbraw/zinc/62/60/17/564626017.db2.gz AABGVOANTPWNQT-UHFFFAOYSA-N 1 0 386.293 2.955 20 0 GFADRO CCC[C@H](C(=O)NC[C@@H](CO)Cc1cccc(Br)c1C)[NH+](C)C ZINC000456709907 564625980 /nfs/dbraw/zinc/62/59/80/564625980.db2.gz FVNZFKSMECTTEB-WMLDXEAASA-N 1 0 385.346 2.755 20 0 GFADRO CC[NH+](CC)[C@@H](CNC(=O)C(=O)NC[C@@H]1CCCCS1)c1ccsc1 ZINC000550636868 564627987 /nfs/dbraw/zinc/62/79/87/564627987.db2.gz PQEIVEZGVMWWBF-HOTGVXAUSA-N 1 0 383.583 2.649 20 0 GFADRO CC[NH+]1CCN(CCNC(=O)c2cc(C)c(Br)c(Cl)c2)CC1 ZINC000550685810 564628901 /nfs/dbraw/zinc/62/89/01/564628901.db2.gz BMGOWESWNMINPD-UHFFFAOYSA-N 1 0 388.737 2.778 20 0 GFADRO CS(=O)(=O)CC1CCC([NH2+][C@@H](CO)c2ccc(C(F)(F)F)cc2)CC1 ZINC000550700674 564629872 /nfs/dbraw/zinc/62/98/72/564629872.db2.gz LEBSDYFTRVHDJU-MOQPWLNLSA-N 1 0 379.444 2.932 20 0 GFADRO C[C@H](CC[NH+](C)C)NS(=O)(=O)Cc1ccc(Cl)cc1Br ZINC000485949854 564632931 /nfs/dbraw/zinc/63/29/31/564632931.db2.gz HSNRGONBCJOODD-SNVBAGLBSA-N 1 0 383.739 2.862 20 0 GFADRO O=C(c1cc2c(c(Br)c1)OCO2)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000521690425 564634331 /nfs/dbraw/zinc/63/43/31/564634331.db2.gz OHBGGVFZIYQMIM-ZDUSSCGKSA-N 1 0 381.270 2.878 20 0 GFADRO COCCOc1ccccc1C[NH2+][C@H](C)Cn1cc(Br)ccc1=O ZINC000550892838 564634554 /nfs/dbraw/zinc/63/45/54/564634554.db2.gz SMGZOGXBSHJASF-CQSZACIVSA-N 1 0 395.297 2.814 20 0 GFADRO O=C1NC(=O)C2(CCC([NH2+][C@H]3C[C@H](c4ccc(Br)cc4)C3)CC2)N1 ZINC000521712228 564635147 /nfs/dbraw/zinc/63/51/47/564635147.db2.gz SGWJIEZYZDJFEE-VEUGXTJMSA-N 1 0 392.297 2.806 20 0 GFADRO COCCO[C@@H]1COCC[C@@H]1[NH2+][C@H](C)c1ccc(OC)c(Br)c1 ZINC000486061125 564637853 /nfs/dbraw/zinc/63/78/53/564637853.db2.gz IUMWQMFHWLMNNG-ISTRZQFTSA-N 1 0 388.302 2.929 20 0 GFADRO Cc1ccc(C(=O)N2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)c(Br)c1 ZINC000486144546 564641252 /nfs/dbraw/zinc/64/12/52/564641252.db2.gz ACKXNMHVNORHSZ-YJBOKZPZSA-N 1 0 394.357 2.856 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N[C@@H]2CCC[N@H+](C)[C@H]2C)cc1Br ZINC000486225980 564644574 /nfs/dbraw/zinc/64/45/74/564644574.db2.gz MJCNKSBOXCQWAJ-GXTWGEPZSA-N 1 0 382.302 2.603 20 0 GFADRO CN(C(=O)c1c(Br)cnn1C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457068667 564645527 /nfs/dbraw/zinc/64/55/27/564645527.db2.gz MCYPIGSAWJHVHN-UHFFFAOYSA-N 1 0 397.239 2.671 20 0 GFADRO COCC[NH+]1CCC(NC(=O)N2CCc3ccc(Br)cc3C2)CC1 ZINC000551309173 564645842 /nfs/dbraw/zinc/64/58/42/564645842.db2.gz UDHMYTFXNQELPG-UHFFFAOYSA-N 1 0 396.329 2.628 20 0 GFADRO C[C@H](Sc1cc(Cl)ccc1Cl)C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000573719212 564650995 /nfs/dbraw/zinc/65/09/95/564650995.db2.gz ZFCMXXWLYCSPIH-JSGCOSHPSA-N 1 0 388.364 2.980 20 0 GFADRO C[NH+]1CCN(c2ccc(Br)cc2NC(=O)[C@@H]2CCCOCC2)CC1 ZINC000486439117 564652463 /nfs/dbraw/zinc/65/24/63/564652463.db2.gz ZYOIODCTLXRYPP-CQSZACIVSA-N 1 0 396.329 2.956 20 0 GFADRO C[C@H](CNC(=O)N1CCOc2ccc(Br)cc2C1)[N@H+](C)C1CC1 ZINC000573744740 564652746 /nfs/dbraw/zinc/65/27/46/564652746.db2.gz VYQGKQHYFUJPQM-GFCCVEGCSA-N 1 0 382.302 2.836 20 0 GFADRO Cc1cc(S(=O)(=O)NCC[NH+]2CCCCC2)c(C)cc1Br ZINC000522628680 564653787 /nfs/dbraw/zinc/65/37/87/564653787.db2.gz YDXJEQCWBRAFSM-UHFFFAOYSA-N 1 0 375.332 2.830 20 0 GFADRO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)N1CCOc2ccc(Br)cc2C1 ZINC000573906016 564658857 /nfs/dbraw/zinc/65/88/57/564658857.db2.gz QNLJFZWOFQMGAA-DOMZBBRYSA-N 1 0 382.302 2.871 20 0 GFADRO CC[C@H]([NH2+]Cc1ccccc1CO)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000573895312 564659052 /nfs/dbraw/zinc/65/90/52/564659052.db2.gz OOYZAKAGODJDFI-KRWDZBQOSA-N 1 0 382.913 2.981 20 0 GFADRO CCC(O)(CC)CC[NH2+]C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000573913777 564659554 /nfs/dbraw/zinc/65/95/54/564659554.db2.gz MHYBYDWRZSGOMK-AWEZNQCLSA-N 1 0 378.282 2.859 20 0 GFADRO CC[NH+](CC)CCNC(=O)NCc1noc(-c2cccc(Br)c2)n1 ZINC000457415507 564660397 /nfs/dbraw/zinc/66/03/97/564660397.db2.gz WCEBOLRCAPWFBY-UHFFFAOYSA-N 1 0 396.289 2.640 20 0 GFADRO Cc1cc(Br)cc(C)c1S(=O)(=O)N1CC[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000486668940 564662385 /nfs/dbraw/zinc/66/23/85/564662385.db2.gz CEWJBFCPFGKCJT-UKRRQHHQSA-N 1 0 387.343 2.781 20 0 GFADRO CC[C@H](Cc1ccc(Cl)cc1Cl)[NH2+]CC1(O)CCS(=O)(=O)CC1 ZINC000551814294 564664189 /nfs/dbraw/zinc/66/41/89/564664189.db2.gz SRMQTFAFHMWRQZ-CQSZACIVSA-N 1 0 380.337 2.844 20 0 GFADRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1ccn(-c2ccc(Br)cc2)n1 ZINC000551823529 564665299 /nfs/dbraw/zinc/66/52/99/564665299.db2.gz JNGKMNPEIIYDHS-SJKOYZFVSA-N 1 0 389.297 2.847 20 0 GFADRO O=C(NCc1ccccc1C[NH+]1CCC(O)CC1)c1cc(Br)co1 ZINC000457603034 564666142 /nfs/dbraw/zinc/66/61/42/564666142.db2.gz GFLXDOUXAVNOLL-UHFFFAOYSA-N 1 0 393.281 2.929 20 0 GFADRO Cc1cc(Br)c(C(=O)N(C)CC2CC[NH+](C[C@@H](C)O)CC2)s1 ZINC000457620119 564667221 /nfs/dbraw/zinc/66/72/21/564667221.db2.gz RPAXPZZKVQMNKK-LLVKDONJSA-N 1 0 389.359 2.984 20 0 GFADRO Cc1cc(Br)c(C(=O)NCCCC[N@@H+]2CCC[C@@H]2CO)s1 ZINC000457665393 564668426 /nfs/dbraw/zinc/66/84/26/564668426.db2.gz KRHAYVYWEQYXJV-GFCCVEGCSA-N 1 0 375.332 2.786 20 0 GFADRO C[C@H](CNC(=O)c1cc(F)ccc1I)[NH+]1CCCC1 ZINC000523508407 564668486 /nfs/dbraw/zinc/66/84/86/564668486.db2.gz BKCUICHENXPQGW-SNVBAGLBSA-N 1 0 376.213 2.644 20 0 GFADRO CS(=O)(=O)c1ccc(CNC(=O)C2C[NH+](C3CCCCC3)C2)cc1Cl ZINC000457754111 564671869 /nfs/dbraw/zinc/67/18/69/564671869.db2.gz JERPJEWSHRFDML-UHFFFAOYSA-N 1 0 384.929 2.624 20 0 GFADRO C[NH+](C)C1(CNC(=O)c2cn(Cc3ccc(Cl)cc3Cl)nn2)CCC1 ZINC000457758208 564672115 /nfs/dbraw/zinc/67/21/15/564672115.db2.gz QFBMCDQNRAZKHX-UHFFFAOYSA-N 1 0 382.295 2.847 20 0 GFADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N(C)Cc2cccc(Br)c2)C1 ZINC000523813394 564673876 /nfs/dbraw/zinc/67/38/76/564673876.db2.gz REAWSGWKTNPCSS-QGZVFWFLSA-N 1 0 398.345 2.947 20 0 GFADRO C[C@H](NC(=O)CCCc1cc(Cl)sc1Cl)C(=O)NCC[NH+](C)C ZINC000552081284 564676581 /nfs/dbraw/zinc/67/65/81/564676581.db2.gz DHQNPBRIBCVALS-JTQLQIEISA-N 1 0 380.341 2.560 20 0 GFADRO O[C@H](C[NH2+]C[C@H]1CCCC[C@@H]1O)COc1ccc(Cl)cc1Br ZINC000574519126 564677761 /nfs/dbraw/zinc/67/77/61/564677761.db2.gz FSXXUFTVSKRZBH-KYOSRNDESA-N 1 0 392.721 2.983 20 0 GFADRO CC[N@@H+]1CCC[C@H](CNS(=O)(=O)Cc2cccc(Br)c2)C1 ZINC000574541983 564678374 /nfs/dbraw/zinc/67/83/74/564678374.db2.gz ZLWCECLVGBZFCV-CQSZACIVSA-N 1 0 375.332 2.600 20 0 GFADRO C[C@@H](CNC(=O)[C@@H](c1ccc(Br)cc1)N1CCCC1)C[NH+](C)C ZINC000552239851 564682619 /nfs/dbraw/zinc/68/26/19/564682619.db2.gz VTCIVRFSDKTLNT-WMLDXEAASA-N 1 0 382.346 2.900 20 0 GFADRO C[C@@H]1CC[N@H+](CCNC(=O)c2ccc(F)cc2I)C1 ZINC000524719535 564686552 /nfs/dbraw/zinc/68/65/52/564686552.db2.gz ZJUYWDGAYWWAPD-SNVBAGLBSA-N 1 0 376.213 2.502 20 0 GFADRO COc1cccc(OC(F)(F)F)c1C[NH2+][C@H](C)C1CCS(=O)(=O)CC1 ZINC000552338853 564687072 /nfs/dbraw/zinc/68/70/72/564687072.db2.gz RBIYPCWTUYBGMT-LLVKDONJSA-N 1 0 381.416 2.897 20 0 GFADRO COc1ccc(Br)cc1CNC(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000458149757 564691144 /nfs/dbraw/zinc/69/11/44/564691144.db2.gz WNPBSZBMXNVEGP-ZDUSSCGKSA-N 1 0 384.318 2.989 20 0 GFADRO CC[N@H+](CCNC(=O)C(=O)N[C@H]1CCSc2ccc(Cl)cc21)C1CC1 ZINC000552477407 564692515 /nfs/dbraw/zinc/69/25/15/564692515.db2.gz JPKHQAUCAHOQFH-HNNXBMFYSA-N 1 0 381.929 2.594 20 0 GFADRO C[N@@H+]1CCC[C@@H](CCNC(=O)c2ccc(F)cc2I)C1 ZINC000458168338 564692831 /nfs/dbraw/zinc/69/28/31/564692831.db2.gz NLDGNHNMGLWQEX-NSHDSACASA-N 1 0 390.240 2.892 20 0 GFADRO Cc1cc(Br)cc(C)c1C[NH2+]C1CCC2(CC1)NC(=O)NC2=O ZINC000575233121 564694387 /nfs/dbraw/zinc/69/43/87/564694387.db2.gz ORWBRCZOWOYZDB-UHFFFAOYSA-N 1 0 380.286 2.676 20 0 GFADRO C[N@@H+]1CCC[C@@H](CCNC(=O)CCCS(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000458228518 564694434 /nfs/dbraw/zinc/69/44/34/564694434.db2.gz UXSXKYKHUUPGDZ-HNNXBMFYSA-N 1 0 386.945 2.742 20 0 GFADRO C[C@@]1(C[C@@H]2CCC[N@@H+]2Cc2cnc(-c3cccs3)s2)NC(=O)NC1=O ZINC000575218858 564694674 /nfs/dbraw/zinc/69/46/74/564694674.db2.gz MITLJXRHHWMXOW-GTNSWQLSSA-N 1 0 376.507 2.824 20 0 GFADRO CCn1c(CNC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)nc2cc(Br)ccc21 ZINC000487710245 564694978 /nfs/dbraw/zinc/69/49/78/564694978.db2.gz QWPUPZCGWMXWFY-WCQYABFASA-N 1 0 379.302 2.633 20 0 GFADRO O=C1c2ccccc2C(=O)N1C[C@H](O)C[NH2+]Cc1ccc(Cl)cc1Cl ZINC000552560101 564695888 /nfs/dbraw/zinc/69/58/88/564695888.db2.gz HRXMOYRRUXHTRS-CYBMUJFWSA-N 1 0 379.243 2.740 20 0 GFADRO CCC(CC)(C[NH2+]CC(=O)N(C)Cc1ccccc1Br)C(=O)OC ZINC000487836001 564697134 /nfs/dbraw/zinc/69/71/34/564697134.db2.gz DNKQSQSHRHJYCN-UHFFFAOYSA-N 1 0 399.329 2.977 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)NCC(=O)Nc2cccc(Br)c2)C1 ZINC000487901103 564699063 /nfs/dbraw/zinc/69/90/63/564699063.db2.gz UPHUSCRCONGYDM-LSDHHAIUSA-N 1 0 397.317 2.560 20 0 GFADRO Cn1nccc1[C@@H]1OCC[C@H]1C[N@H+](CCO)Cc1cccc(Br)c1 ZINC000487954472 564700068 /nfs/dbraw/zinc/70/00/68/564700068.db2.gz YKEWAOHQTWBUEE-MAUKXSAKSA-N 1 0 394.313 2.755 20 0 GFADRO CC(C)[C@H]1CN(CC(=O)Nc2c(F)cc(F)cc2Br)CC[N@@H+]1C ZINC000487984192 564701141 /nfs/dbraw/zinc/70/11/41/564701141.db2.gz AUMBMQSUGDHNNW-CQSZACIVSA-N 1 0 390.272 2.938 20 0 GFADRO CC[N@H+](CCNC(=O)C(=O)N[C@H]1CCSc2ccc(Cl)cc21)C(C)C ZINC000552819495 564701595 /nfs/dbraw/zinc/70/15/95/564701595.db2.gz IOOJHNHISKLPHD-HNNXBMFYSA-N 1 0 383.945 2.840 20 0 GFADRO COc1ccc(OC)c(C[NH2+]C[C@@H](O)COc2ccc(Br)cc2)c1 ZINC000552810149 564701718 /nfs/dbraw/zinc/70/17/18/564701718.db2.gz OEJPNHSWQZKOII-OAHLLOKOSA-N 1 0 396.281 2.996 20 0 GFADRO C[N@@H+]1CC[C@H](C(=O)Nc2ccc(CCn3cc(Br)cn3)cc2)C1 ZINC000525616762 564703589 /nfs/dbraw/zinc/70/35/89/564703589.db2.gz WZMFREPKPVHPBA-AWEZNQCLSA-N 1 0 377.286 2.779 20 0 GFADRO C[NH+](C)[C@@]1(CNC(=O)NCCc2cccc(Br)c2)CCSC1 ZINC000458485759 564703656 /nfs/dbraw/zinc/70/36/56/564703656.db2.gz BHWJYJSQJLTVHF-MRXNPFEDSA-N 1 0 386.359 2.728 20 0 GFADRO O=S(=O)(c1c(F)cc(F)cc1F)N1CCC(C[NH+]2CCCCC2)CC1 ZINC000525700136 564705580 /nfs/dbraw/zinc/70/55/80/564705580.db2.gz BYYWBQGRLLDUFL-UHFFFAOYSA-N 1 0 376.444 2.991 20 0 GFADRO C[C@@H]1CC[N@H+](CC(=O)N2CCO[C@@H](c3ccc(F)c(Br)c3)C2)C1 ZINC000576052041 564705789 /nfs/dbraw/zinc/70/57/89/564705789.db2.gz ZIKBFIYHNUBPBH-MLGOLLRUSA-N 1 0 385.277 2.830 20 0 GFADRO COc1cc(Br)ccc1C[NH2+][C@H](Cc1ccc(F)cc1)C(N)=O ZINC000488186682 564706513 /nfs/dbraw/zinc/70/65/13/564706513.db2.gz SMJXMJFFUBWONZ-OAHLLOKOSA-N 1 0 381.245 2.783 20 0 GFADRO C[NH+]1CCC2(CCCN2C(=O)C(=O)NCc2ccc(Cl)cc2Cl)CC1 ZINC000576235230 564709325 /nfs/dbraw/zinc/70/93/25/564709325.db2.gz DDJOQTHDQYNLEM-UHFFFAOYSA-N 1 0 384.307 2.696 20 0 GFADRO CC[N@H+](Cc1cc(Br)cc(Br)c1)[C@H]1CCNC1=O ZINC000576265862 564710417 /nfs/dbraw/zinc/71/04/17/564710417.db2.gz CMDUNVVGBMNEKE-LBPRGKRZSA-N 1 0 376.092 2.922 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+][C@H](CO)[C@@H]1CCCOC1 ZINC000576287297 564712046 /nfs/dbraw/zinc/71/20/46/564712046.db2.gz IHCLMXRTPMKIHT-RDTXWAMCSA-N 1 0 394.313 2.820 20 0 GFADRO O=S1(=O)CC[C@H]([NH2+][C@@H]2C[C@H]3OCCC[C@H]23)c2cc(Br)ccc21 ZINC000525880538 564712289 /nfs/dbraw/zinc/71/22/89/564712289.db2.gz GFRQGKGNZUXXBB-FAAHXZRKSA-N 1 0 386.311 2.825 20 0 GFADRO C[C@H](NC(=O)NCCOCC[NH+](C)C)c1ccc(F)c(Br)c1 ZINC000458692849 564712488 /nfs/dbraw/zinc/71/24/88/564712488.db2.gz LNXMNYIDXNFTHF-NSHDSACASA-N 1 0 376.270 2.527 20 0 GFADRO C[C@@H](NC(=O)NCCOCC[NH+](C)C)c1ccc(F)c(Br)c1 ZINC000458692848 564712595 /nfs/dbraw/zinc/71/25/95/564712595.db2.gz LNXMNYIDXNFTHF-LLVKDONJSA-N 1 0 376.270 2.527 20 0 GFADRO C[C@@]1(CNC(=O)Nc2ccnn2-c2ccc(Br)cn2)CCC[NH2+]C1 ZINC000576448915 564713612 /nfs/dbraw/zinc/71/36/12/564713612.db2.gz RUASGXNGMDCGAK-MRXNPFEDSA-N 1 0 393.289 2.541 20 0 GFADRO Cc1cc(C[N@@H+]2CCC[C@H]2C[C@@]2(C)NC(=O)NC2=O)sc1Br ZINC000576505340 564714500 /nfs/dbraw/zinc/71/45/00/564714500.db2.gz ILTOGONISMKDMI-ZUZCIYMTSA-N 1 0 386.315 2.772 20 0 GFADRO CC[N@@H+]1CCN(C(=O)C2CCN(C(=O)c3ccc(Cl)s3)CC2)[C@H](C)C1 ZINC000553317742 564715924 /nfs/dbraw/zinc/71/59/24/564715924.db2.gz JMEYDAHXBCHGES-CYBMUJFWSA-N 1 0 383.945 2.806 20 0 GFADRO CSC1(CNC(=O)N(C)[C@@H](CO)c2ccc(Cl)cc2)CC[NH+](C)CC1 ZINC000458786810 564717829 /nfs/dbraw/zinc/71/78/29/564717829.db2.gz KJQCYFAGXKOOOG-INIZCTEOSA-N 1 0 385.961 2.842 20 0 GFADRO CC(C)[N@@H+](C)C[C@H](C)NC(=O)N[C@@H]1CCO[C@H]1c1cncc(Br)c1 ZINC000458820073 564718940 /nfs/dbraw/zinc/71/89/40/564718940.db2.gz WBKIRLKKMFUCQN-MAZHCROVSA-N 1 0 399.333 2.702 20 0 GFADRO C[C@H]1NC(=O)N(CC[N@H+](C)[C@@H]2CCSc3ccc(Br)cc32)C1=O ZINC000576802287 564719910 /nfs/dbraw/zinc/71/99/10/564719910.db2.gz QJKWIERNSIAPMC-ZWNOBZJWSA-N 1 0 398.326 2.858 20 0 GFADRO C[C@H](NC(=O)NCCC[NH2+]C1CCCCC1)c1ncc(Br)cn1 ZINC000458850023 564720646 /nfs/dbraw/zinc/72/06/46/564720646.db2.gz UANGMPBAXUTOIS-LBPRGKRZSA-N 1 0 384.322 2.912 20 0 GFADRO O=C(Nc1ccc(Br)cn1)[C@@H]1CCC[N@H+](CC[C@@H]2CCOC2)C1 ZINC000526114158 564720924 /nfs/dbraw/zinc/72/09/24/564720924.db2.gz YVUJZYGARCKRDH-ZIAGYGMSSA-N 1 0 382.302 2.921 20 0 GFADRO Cc1cc(N2CCC([NH2+]Cc3cnc4ccc(Br)cn34)CC2)n[nH]1 ZINC000526126771 564721841 /nfs/dbraw/zinc/72/18/41/564721841.db2.gz AJJARFXBDIUMAF-UHFFFAOYSA-N 1 0 389.301 2.887 20 0 GFADRO Cc1cc(S(=O)(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)ccc1Br ZINC000576989457 564722720 /nfs/dbraw/zinc/72/27/20/564722720.db2.gz GVMIJWYVWLPAMR-ZIAGYGMSSA-N 1 0 387.343 2.768 20 0 GFADRO CSc1ccc([C@@H](CNC(=O)N2CCSC[C@H]2CCO)[NH+](C)C)cc1 ZINC000458909948 564722975 /nfs/dbraw/zinc/72/29/75/564722975.db2.gz YXNMUCODNGRGIZ-NVXWUHKLSA-N 1 0 383.583 2.521 20 0 GFADRO C[C@@H]([NH2+]CCNc1ncc(C(F)(F)F)cc1Cl)C1CCS(=O)(=O)CC1 ZINC000526989078 564724362 /nfs/dbraw/zinc/72/43/62/564724362.db2.gz VMUKLBJNXQWEGA-SNVBAGLBSA-N 1 0 399.866 2.969 20 0 GFADRO C[C@@H](CCc1ccc(I)cc1)[NH2+]C[C@H](C)S(C)(=O)=O ZINC000526984252 564724643 /nfs/dbraw/zinc/72/46/43/564724643.db2.gz VQFBNDVXUBWEPE-RYUDHWBXSA-N 1 0 395.306 2.635 20 0 GFADRO Cc1nc(CNC(=O)N(C)[C@@H]2CC[N@@H+](C(C)C)C2)sc1Br ZINC000458935838 564724692 /nfs/dbraw/zinc/72/46/92/564724692.db2.gz WGQRKLONJBSBOQ-LLVKDONJSA-N 1 0 375.336 2.838 20 0 GFADRO C[NH+](C)CC1CCN(S(=O)(=O)Cc2cccc(Br)c2)CC1 ZINC000553533676 564724993 /nfs/dbraw/zinc/72/49/93/564724993.db2.gz CZDDWGGOMVVMOT-UHFFFAOYSA-N 1 0 375.332 2.553 20 0 GFADRO O=C(NC/C=C\c1ccc(Br)cc1)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000458958408 564725843 /nfs/dbraw/zinc/72/58/43/564725843.db2.gz AIWYFILILWZSDN-DVZSUYKVSA-N 1 0 396.329 2.608 20 0 GFADRO C[N@H+](Cc1cc(=O)n2cc(Br)ccc2n1)[C@H](CO)CC(C)(C)C ZINC000577149263 564726057 /nfs/dbraw/zinc/72/60/57/564726057.db2.gz JLLUMOUABOEACF-AWEZNQCLSA-N 1 0 382.302 2.686 20 0 GFADRO O=C(C[NH+]1CCCC1)N1CCN(Cc2csc(-c3ccsc3)n2)CC1 ZINC000489098976 564729050 /nfs/dbraw/zinc/72/90/50/564729050.db2.gz SBZBWPREQKJPLM-UHFFFAOYSA-N 1 0 376.551 2.612 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@@H](NS(=O)(=O)Cc2ccccc2Br)C1 ZINC000553769694 564735149 /nfs/dbraw/zinc/73/51/49/564735149.db2.gz ZQJIHNHZMHUBAQ-ZIAGYGMSSA-N 1 0 375.332 2.741 20 0 GFADRO CC(C)n1cnc(S(=O)(=O)NC[C@H](C[NH+](C)C)c2ccc(Cl)cc2)c1 ZINC000577519891 564736579 /nfs/dbraw/zinc/73/65/79/564736579.db2.gz IFGJDKPIGAVISE-OAHLLOKOSA-N 1 0 384.933 2.741 20 0 GFADRO CN(CC[NH+]1CCCC1)C(=O)NCc1nc2c(cccc2Br)[nH]1 ZINC000459195863 564736673 /nfs/dbraw/zinc/73/66/73/564736673.db2.gz GONMAKHDDVCVOU-UHFFFAOYSA-N 1 0 380.290 2.563 20 0 GFADRO C[C@H]1CN(c2ccc(Cl)c(F)c2)CCN1C(=O)C[N@H+](C)[C@@H]1CCSC1 ZINC000553827826 564738872 /nfs/dbraw/zinc/73/88/72/564738872.db2.gz RUVGMWRASCXELV-DZGCQCFKSA-N 1 0 385.936 2.954 20 0 GFADRO COCC[N@H+](Cc1ccc(I)cc1)[C@H]1CCO[C@@H]1C ZINC000489463880 564740659 /nfs/dbraw/zinc/74/06/59/564740659.db2.gz ANVVCKGDBSRNJJ-DOMZBBRYSA-N 1 0 375.250 2.917 20 0 GFADRO CCn1cc(C[N@H+](C)C[C@@H](O)COc2cc(F)cc(Br)c2)cn1 ZINC000527377632 564741768 /nfs/dbraw/zinc/74/17/68/564741768.db2.gz LMQPRYZUHNAVPT-OAHLLOKOSA-N 1 0 386.265 2.676 20 0 GFADRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(S(=O)(=O)N(C)C(C)C)cc2)[C@@H]1SC ZINC000459401892 564742340 /nfs/dbraw/zinc/74/23/40/564742340.db2.gz YSIHISCSZLRSJN-KSZLIROESA-N 1 0 386.583 2.714 20 0 GFADRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(S(=O)(=O)N(CC)CC)s2)[C@H]1SC ZINC000459394209 564742756 /nfs/dbraw/zinc/74/27/56/564742756.db2.gz ZNUGBAMDHHPUGI-IIAWOOMASA-N 1 0 392.612 2.777 20 0 GFADRO CN(C)[C@]1(C[NH2+]C[C@@H](O)COc2ccc(Cl)cc2Cl)CCSC1 ZINC000578350472 564743355 /nfs/dbraw/zinc/74/33/55/564743355.db2.gz OWAMNSKXRJGXSG-CJNGLKHVSA-N 1 0 379.353 2.760 20 0 GFADRO C[NH+](C)[C@H]1CCC[C@@H](NS(=O)(=O)c2cccc(OC(F)(F)F)c2F)C1 ZINC000489552305 564743627 /nfs/dbraw/zinc/74/36/27/564743627.db2.gz NAFYIWUFLCVWQH-MNOVXSKESA-N 1 0 384.395 2.875 20 0 GFADRO CCOc1cc(C[NH2+][C@@H]2CC(=O)N([C@@H]3C[C@H]3C)C2)cc(Br)c1O ZINC000459409449 564743662 /nfs/dbraw/zinc/74/36/62/564743662.db2.gz BHCOPZCTXNLIEH-MPKXVKKWSA-N 1 0 383.286 2.652 20 0 GFADRO CCC[C@H](C)CS(=O)(=O)N(C[C@H](O)CC(C)(C)C)C1CC[NH+](C)CC1 ZINC000579259994 564746256 /nfs/dbraw/zinc/74/62/56/564746256.db2.gz RTAGXPZOOZBIRT-FUHWJXTLSA-N 1 0 376.607 2.946 20 0 GFADRO Cc1cc(N2CCC[C@H]([NH2+]Cc3cccc(O)c3Br)C2)n(C)n1 ZINC000459511275 564748570 /nfs/dbraw/zinc/74/85/70/564748570.db2.gz PUIMQKKJBWVQRH-AWEZNQCLSA-N 1 0 379.302 2.955 20 0 GFADRO Oc1cccc(CNC[C@@H](N2CCOCC2)C(F)(F)F)c1Br ZINC000459549316 564750543 /nfs/dbraw/zinc/75/05/43/564750543.db2.gz NDUFEXVUFOLSII-GFCCVEGCSA-N 1 0 383.208 2.507 20 0 GFADRO O=C1NCCN1C1CN(Cc2ccc(-c3ccc(Br)cc3)o2)C1 ZINC000459551552 564750623 /nfs/dbraw/zinc/75/06/23/564750623.db2.gz SDVIRUHCVVDFQG-UHFFFAOYSA-N 1 0 376.254 2.919 20 0 GFADRO Cc1[nH]c(=O)c(Br)cc1C(=O)N1CC[N@@H+]([C@@H]2C[C@H]2C)C[C@@H](C)C1 ZINC000554129078 564751088 /nfs/dbraw/zinc/75/10/88/564751088.db2.gz YTHSLYFGJHTAFT-UEKVPHQBSA-N 1 0 382.302 2.660 20 0 GFADRO CON1CCC([N@H+](C)CC(=O)Nc2ccc(Br)cc2Cl)CC1 ZINC000459578770 564751504 /nfs/dbraw/zinc/75/15/04/564751504.db2.gz JPJADOZCJKAHTL-UHFFFAOYSA-N 1 0 390.709 2.999 20 0 GFADRO COc1ccc(Cl)c(S(=O)(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)c1 ZINC000489798187 564753340 /nfs/dbraw/zinc/75/33/40/564753340.db2.gz DLERGUDOLCFQFN-HNNXBMFYSA-N 1 0 382.913 2.800 20 0 GFADRO Cn1cc(N2CCC[C@@H]([NH2+]Cc3ncc(Cl)cc3Br)C2)cn1 ZINC000527663949 564754381 /nfs/dbraw/zinc/75/43/81/564754381.db2.gz ATFJSPVCGBOIMD-GFCCVEGCSA-N 1 0 384.709 2.990 20 0 GFADRO CCCC[N@H+](C)CCNS(=O)(=O)c1cc(Br)c(F)cc1F ZINC000489858745 564755666 /nfs/dbraw/zinc/75/56/66/564755666.db2.gz MGSIPZCATPIWMK-UHFFFAOYSA-N 1 0 385.274 2.738 20 0 GFADRO O[C@@H](C[NH2+]Cc1nc(-c2cc(Cl)ccc2Cl)cs1)Cn1ccnn1 ZINC000459687793 564756990 /nfs/dbraw/zinc/75/69/90/564756990.db2.gz BOKQCPUSHWHXOW-NSHDSACASA-N 1 0 384.292 2.859 20 0 GFADRO CS(=O)(=O)NC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(Br)c(F)c1F ZINC000527705309 564757130 /nfs/dbraw/zinc/75/71/30/564757130.db2.gz UXTGJFGBBTZOMJ-CABZTGNLSA-N 1 0 397.285 2.535 20 0 GFADRO O=C(C[NH2+]C1(CO)CCSCC1)Nc1c(F)cc(F)cc1Br ZINC000459696652 564757548 /nfs/dbraw/zinc/75/75/48/564757548.db2.gz LYLPBPJGGAUJKH-UHFFFAOYSA-N 1 0 395.269 2.514 20 0 GFADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+]CC[C@@H]1CCCOC1 ZINC000527735558 564758846 /nfs/dbraw/zinc/75/88/46/564758846.db2.gz DQUIEBPYRCTPAS-KGLIPLIRSA-N 1 0 399.329 2.869 20 0 GFADRO CN1C2(CCC2)COC[C@]1(CO)C[NH2+]Cc1csc(-c2cccs2)n1 ZINC000527751500 564759476 /nfs/dbraw/zinc/75/94/76/564759476.db2.gz CHDPPEKSZLSZBY-GOSISDBHSA-N 1 0 379.551 2.577 20 0 GFADRO OCC1([NH2+]Cc2cc(Br)c3c(c2)OCCCO3)CCSCC1 ZINC000459726510 564759927 /nfs/dbraw/zinc/75/99/27/564759927.db2.gz LNJXDPJYKULHKP-UHFFFAOYSA-N 1 0 388.327 2.958 20 0 GFADRO CO[C@@H]1C[C@@H]([NH2+]C[C@@H](O)COc2cc(F)cc(Br)c2)C12CCC2 ZINC000459772150 564760976 /nfs/dbraw/zinc/76/09/76/564760976.db2.gz SAFAAIDNKZYDRC-FVQBIDKESA-N 1 0 388.277 2.875 20 0 GFADRO CC[C@H](NC(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1)c1ccc(Cl)s1 ZINC000554437030 564761390 /nfs/dbraw/zinc/76/13/90/564761390.db2.gz CZVSYOVFMHUBBO-IHRRRGAJSA-N 1 0 383.945 2.912 20 0 GFADRO O=C(NCCC1=CC[NH2+]CC1)Nc1nnc(-c2ccc(Cl)cc2F)s1 ZINC000580530526 564762933 /nfs/dbraw/zinc/76/29/33/564762933.db2.gz UIPGNXZQLCKISI-UHFFFAOYSA-N 1 0 381.864 3.429 20 0 GFADRO CC(=O)N1CCN(CC[NH2+][C@H](C)c2cc(F)c(Br)cc2F)CC1 ZINC000527854031 564763487 /nfs/dbraw/zinc/76/34/87/564763487.db2.gz VWXGCUJCLQEZCV-LLVKDONJSA-N 1 0 390.272 2.542 20 0 GFADRO CC[NH+](CC)CC1CCN(C(=O)C(=O)N(C)Cc2ccc(Cl)s2)CC1 ZINC000459865638 564763539 /nfs/dbraw/zinc/76/35/39/564763539.db2.gz SRWRXHNJUHRPIJ-UHFFFAOYSA-N 1 0 385.961 2.940 20 0 GFADRO CC1CC[NH+]([C@H](CNc2ccc(S(N)(=O)=O)cn2)c2cccs2)CC1 ZINC000490108949 564763740 /nfs/dbraw/zinc/76/37/40/564763740.db2.gz ZMLHQIBZLSNGEP-OAHLLOKOSA-N 1 0 380.539 2.676 20 0 GFADRO C[N@@H+]1CCC[C@H](CNC(=O)Nc2ccc3nccnc3c2Br)C1 ZINC000554543093 564765637 /nfs/dbraw/zinc/76/56/37/564765637.db2.gz FNDJPXMDXNWLOE-LLVKDONJSA-N 1 0 378.274 2.856 20 0 GFADRO Cc1ccc(I)cc1C(=O)N1CC[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000490238374 564766259 /nfs/dbraw/zinc/76/62/59/564766259.db2.gz DEOHZLONXFURDR-DOMZBBRYSA-N 1 0 384.261 2.766 20 0 GFADRO CC(C)O[C@@]1(C)C[C@H]1[NH2+][C@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000528004904 564767054 /nfs/dbraw/zinc/76/70/54/564767054.db2.gz GTRLCWGBOHUXQL-KMUNFCNLSA-N 1 0 391.331 2.703 20 0 GFADRO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C(=O)N1CCC(C[NH+](C)C)CC1 ZINC000460025429 564768185 /nfs/dbraw/zinc/76/81/85/564768185.db2.gz GUNDCRZERKBHFA-UHFFFAOYSA-N 1 0 386.323 2.752 20 0 GFADRO CC(C)[C@H]1C[NH2+]CCN1S(=O)(=O)c1cc(Br)sc1Cl ZINC000528047245 564768250 /nfs/dbraw/zinc/76/82/50/564768250.db2.gz DHIUEQONHMBJEI-MRVPVSSYSA-N 1 0 387.752 2.783 20 0 GFADRO C[NH+]1CCN(c2ccnc(-c3noc([C@H]4C[C@]4(C)Br)n3)c2)CC1 ZINC000528141354 564771043 /nfs/dbraw/zinc/77/10/43/564771043.db2.gz PEVIRYHJRXEOTM-WBMJQRKESA-N 1 0 378.274 2.524 20 0 GFADRO CN(C)S(=O)(=O)N1CCCC[C@H]1C[NH2+]Cc1cc(Cl)ccc1Cl ZINC000554721769 564771677 /nfs/dbraw/zinc/77/16/77/564771677.db2.gz HFYOTAQUYIFQOM-AWEZNQCLSA-N 1 0 380.341 2.744 20 0 GFADRO Cc1csc(C(=O)NC[C@@]2(C)CCC[NH2+]C2)c1I ZINC000580768702 564772805 /nfs/dbraw/zinc/77/28/05/564772805.db2.gz SVHVCOYAJZOWMR-ZDUSSCGKSA-N 1 0 378.279 2.781 20 0 GFADRO CN(C)CC[N@H+](C)CCCNC(=O)CCc1cc(F)ccc1Br ZINC000554779043 564773822 /nfs/dbraw/zinc/77/38/22/564773822.db2.gz NJSNIEGSVIDNKZ-UHFFFAOYSA-N 1 0 388.325 2.521 20 0 GFADRO C[N@@H+]1CC[C@@]2(CCN(S(=O)(=O)c3cc(Br)sc3Cl)C2)C1 ZINC000490507715 564774162 /nfs/dbraw/zinc/77/41/62/564774162.db2.gz NXHMGLVSOKWEAC-GFCCVEGCSA-N 1 0 399.763 2.880 20 0 GFADRO CN(C)CC[N@H+](C)CCCN(C)C(=O)NCCc1ccc(Br)cc1 ZINC000460330718 564774277 /nfs/dbraw/zinc/77/42/77/564774277.db2.gz JIIDIHMKVGMDQI-UHFFFAOYSA-N 1 0 399.377 2.517 20 0 GFADRO NC(=O)[C@H](NCc1ccnc(OC(F)F)c1)c1cccc(Br)c1 ZINC000580824572 564775252 /nfs/dbraw/zinc/77/52/52/564775252.db2.gz ZPCBUADCYDMARQ-CYBMUJFWSA-N 1 0 386.196 2.762 20 0 GFADRO C[C@H](NC(=O)[C@@H]1C[C@]1(C)Br)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000528329182 564777715 /nfs/dbraw/zinc/77/77/15/564777715.db2.gz SKAGSJBNFRXNFV-QITLCBANSA-N 1 0 398.320 2.928 20 0 GFADRO C[C@H](NC(=O)[C@@H]1C[C@@]1(C)Br)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000528329189 564778007 /nfs/dbraw/zinc/77/80/07/564778007.db2.gz SKAGSJBNFRXNFV-XLWVJDPXSA-N 1 0 398.320 2.928 20 0 GFADRO C[C@@]1(C(=O)NC2CCN(Cc3ccc(Br)cc3)CC2)CCC[NH2+]1 ZINC000580895341 564778586 /nfs/dbraw/zinc/77/85/86/564778586.db2.gz RLXXVCCCFBJNGE-SFHVURJKSA-N 1 0 380.330 2.672 20 0 GFADRO O=C1C[C@@H]([C@H]2CCCC[N@H+]2Cc2cn3ccc(Br)cc3n2)CN1 ZINC000555092485 564782600 /nfs/dbraw/zinc/78/26/00/564782600.db2.gz QWNQXJBGWFRWBV-IUODEOHRSA-N 1 0 377.286 2.587 20 0 GFADRO O=C(N[C@@H]1CCOc2c(Br)cccc21)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000581001566 564782745 /nfs/dbraw/zinc/78/27/45/564782745.db2.gz MGCNPRSUOYEUAU-NILFDRSVSA-N 1 0 380.286 2.666 20 0 GFADRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)c1ccc(Br)c(F)c1F ZINC000528429576 564783651 /nfs/dbraw/zinc/78/36/51/564783651.db2.gz KDTKCIBZGUDZCB-NSHDSACASA-N 1 0 391.256 2.910 20 0 GFADRO C[C@@H](CNC(=O)[C@H]([NH3+])Cc1ccccc1)Oc1cccc(Br)c1 ZINC000490953066 564784318 /nfs/dbraw/zinc/78/43/18/564784318.db2.gz GEFOWFCMOVDHCT-SUMWQHHRSA-N 1 0 377.282 2.903 20 0 GFADRO C[C@H]1[NH2+]CC[C@H]1C(=O)N=c1cc(-c2cc(Br)ccc2Cl)[nH][nH]1 ZINC000581010772 564784374 /nfs/dbraw/zinc/78/43/74/564784374.db2.gz ZDENRZBMEUAUCP-PSASIEDQSA-N 1 0 383.677 2.851 20 0 GFADRO O=S(=O)(Cc1ccc(Br)cc1)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000581072202 564787022 /nfs/dbraw/zinc/78/70/22/564787022.db2.gz TUGIWXAFMGVGBP-CABCVRRESA-N 1 0 387.343 2.600 20 0 GFADRO C[N@@H+]1CCC[C@]2(CCN(S(=O)(=O)c3ccc(OC(F)(F)F)cc3)C2)C1 ZINC000555406302 564792327 /nfs/dbraw/zinc/79/23/27/564792327.db2.gz RENMLULODKWJSG-HNNXBMFYSA-N 1 0 378.416 2.692 20 0 GFADRO CC[C@@H]1CN(C(=O)c2cc(C)cc(C)c2Br)CC[N@@H+]1C[C@H](C)O ZINC000461333732 564793030 /nfs/dbraw/zinc/79/30/30/564793030.db2.gz RDQRABZDWISDMK-LSDHHAIUSA-N 1 0 383.330 2.983 20 0 GFADRO Brc1ccccc1-n1cc(CN2CC[NH+](C3CCC3)CC2)nn1 ZINC000581224194 564793140 /nfs/dbraw/zinc/79/31/40/564793140.db2.gz ZWYXERUTNPCXNL-UHFFFAOYSA-N 1 0 376.302 2.700 20 0 GFADRO C[N@H+](Cc1cn2ccc(Br)cc2n1)CC(C)(C)CN1CCOCC1 ZINC000581282453 564796064 /nfs/dbraw/zinc/79/60/64/564796064.db2.gz LEBLWKVUJKVLCO-UHFFFAOYSA-N 1 0 395.345 2.887 20 0 GFADRO CN(C)CC[NH+]1CCC(CNC(=O)c2sc3ncccc3c2Cl)CC1 ZINC000528562205 564796068 /nfs/dbraw/zinc/79/60/68/564796068.db2.gz OPDXTNAKUMHNGY-UHFFFAOYSA-N 1 0 380.945 2.953 20 0 GFADRO Cc1nn(C)c2ncc(C[NH2+]CC(=O)Nc3ccc(Br)cc3)cc12 ZINC000555552447 564797659 /nfs/dbraw/zinc/79/76/59/564797659.db2.gz NVUMKQVGLVLKRP-UHFFFAOYSA-N 1 0 388.269 2.768 20 0 GFADRO OC[C@]1([NH2+]Cc2nc3cc(Br)ccc3[nH]2)COc2ccccc2C1 ZINC000528645166 564799005 /nfs/dbraw/zinc/79/90/05/564799005.db2.gz KUIAECRWTNCVRJ-SFHVURJKSA-N 1 0 388.265 2.781 20 0 GFADRO COc1cc(NC(=O)N2CC[NH2+]C[C@@H]2C(C)C)cc(OC)c1Br ZINC000528684069 564800747 /nfs/dbraw/zinc/80/07/47/564800747.db2.gz ATKRLCPAMYWVIK-GFCCVEGCSA-N 1 0 386.290 2.928 20 0 GFADRO NS(=O)(=O)C[C@@H]1CCC[N@H+](CC/C=C/c2ccc(Br)cc2)C1 ZINC000581393036 564800952 /nfs/dbraw/zinc/80/09/52/564800952.db2.gz BMBXUILPCBYATN-NTHKTCTLSA-N 1 0 387.343 2.853 20 0 GFADRO CCC[N@H+](CC)C[C@@H](C)NC(=O)c1ccc(I)c(O)c1 ZINC000461630637 564801460 /nfs/dbraw/zinc/80/14/60/564801460.db2.gz LXZFFRZETSQXEP-LLVKDONJSA-N 1 0 390.265 2.847 20 0 GFADRO C[N@@H+]1CCC[C@H](CCNC(=O)c2cc(Br)c3c(c2)OCCO3)C1 ZINC000581414157 564801605 /nfs/dbraw/zinc/80/16/05/564801605.db2.gz PSMWXQHBTORFDZ-GFCCVEGCSA-N 1 0 383.286 2.682 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CN(C(=O)Nc2cc(Cl)c(Br)cc2F)CCO1 ZINC000528695419 564801902 /nfs/dbraw/zinc/80/19/02/564801902.db2.gz CXSVHXUBFPJACC-KRTXAFLBSA-N 1 0 380.645 2.822 20 0 GFADRO C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[NH2+]CC(=O)Nc1cccc(I)c1 ZINC000528755351 564803690 /nfs/dbraw/zinc/80/36/90/564803690.db2.gz GVBRFARWVXTBLA-KIGUWFBYSA-N 1 0 388.249 2.631 20 0 GFADRO C[C@@H](C(=O)Nc1ccc(Cl)c(Cl)c1)N1C[C@](C)(CO)[C@](C)(CO)C1 ZINC000528753242 564803696 /nfs/dbraw/zinc/80/36/96/564803696.db2.gz VPMWTJXXPXHRTG-MZPVMMEZSA-N 1 0 375.296 2.633 20 0 GFADRO OC[C@]1([C@@H]([NH2+]C[C@@H](O)COc2ccc(Cl)cc2Cl)C2CC2)CCCO1 ZINC000555759958 564804518 /nfs/dbraw/zinc/80/45/18/564804518.db2.gz ZSXCRUCDWMMYAD-JLSDUUJJSA-N 1 0 390.307 2.643 20 0 GFADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)c2c(F)ccc(Br)c2F)C1 ZINC000492817904 564804763 /nfs/dbraw/zinc/80/47/63/564804763.db2.gz MGHAINJDDOKJRD-LLVKDONJSA-N 1 0 391.256 2.814 20 0 GFADRO C[C@H](CNS(=O)(=O)c1cccc(Cl)c1Br)[N@H+](C)C1CC1 ZINC000493108773 564805522 /nfs/dbraw/zinc/80/55/22/564805522.db2.gz XLOQPPXFGFXQSX-SECBINFHSA-N 1 0 381.723 2.864 20 0 GFADRO COC(=O)CCCC(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000461859420 564805951 /nfs/dbraw/zinc/80/59/51/564805951.db2.gz XSKHTRQHAYZGAB-UHFFFAOYSA-N 1 0 385.302 2.683 20 0 GFADRO O=C(NC[C@H](O)COc1cccc(Cl)c1Cl)c1ccc2c[nH+]cn2c1 ZINC000555850378 564805957 /nfs/dbraw/zinc/80/59/57/564805957.db2.gz NJDWNFPGEYFHNY-ZDUSSCGKSA-N 1 0 380.231 2.811 20 0 GFADRO O[C@H](C[NH2+]CCn1cc(Br)cn1)COc1ccc2ccccc2c1 ZINC000581543926 564807211 /nfs/dbraw/zinc/80/72/11/564807211.db2.gz ABPDXPMXLQKQJX-QGZVFWFLSA-N 1 0 390.281 2.828 20 0 GFADRO C[N@H+](CCCO)C1CCN(C(=O)c2ccc(Br)c(F)c2F)CC1 ZINC000528908916 564809148 /nfs/dbraw/zinc/80/91/48/564809148.db2.gz UTUDETLBQYGTEI-UHFFFAOYSA-N 1 0 391.256 2.646 20 0 GFADRO CN(CC1([NH+](C)C)CCC1)S(=O)(=O)CCc1ccccc1Br ZINC000462057220 564814368 /nfs/dbraw/zinc/81/43/68/564814368.db2.gz IZVJRHOAYSBOBN-UHFFFAOYSA-N 1 0 389.359 2.738 20 0 GFADRO Cc1nc2ccc(C[NH2+]CCS(=O)(=O)NCc3ccccc3)cc2s1 ZINC000494045887 564816002 /nfs/dbraw/zinc/81/60/02/564816002.db2.gz CQBWIVNNPSNKPA-UHFFFAOYSA-N 1 0 375.519 2.814 20 0 GFADRO O=C([C@@H]1C[N@@H+]2CCN1CCC2)N1CCC(Sc2ccc(Cl)cc2)CC1 ZINC000494103496 564817325 /nfs/dbraw/zinc/81/73/25/564817325.db2.gz RHOGHGBLNNWPAN-SFHVURJKSA-N 1 0 379.957 2.813 20 0 GFADRO CCC[N@H+](CC)CCNS(=O)(=O)CCc1ccccc1Br ZINC000462090241 564817831 /nfs/dbraw/zinc/81/78/31/564817831.db2.gz DYBMTUZDFGSWOA-UHFFFAOYSA-N 1 0 377.348 2.643 20 0 GFADRO O=C(N[C@@H]1CCc2c1ccc(Cl)c2Cl)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000581820870 564818878 /nfs/dbraw/zinc/81/88/78/564818878.db2.gz ZOYVVTQBJDFSKO-QMTHXVAHSA-N 1 0 380.279 2.754 20 0 GFADRO CC(C)N1C(=O)C[C@@H]([NH2+]CCCS(C)(=O)=O)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000494217601 564820023 /nfs/dbraw/zinc/82/00/23/564820023.db2.gz WUPUNYZEKHUKLB-WBVHZDCISA-N 1 0 390.908 2.554 20 0 GFADRO C[C@@H](CC(=O)N1CCO[C@H](C[NH+](C)C)C1)c1ccc(F)c(Br)c1 ZINC000462116144 564821012 /nfs/dbraw/zinc/82/10/12/564821012.db2.gz GJDWHVNUNKQGDM-GXTWGEPZSA-N 1 0 387.293 2.871 20 0 GFADRO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)C[NH2+][C@]1(C)CCO[C@@H]1C ZINC000494256778 564821182 /nfs/dbraw/zinc/82/11/82/564821182.db2.gz LSXCOTIPJJCNBJ-JDNHERCYSA-N 1 0 375.252 2.876 20 0 GFADRO OCC[N@@H+](Cc1cccc(F)c1)C[C@H](O)COc1cccc(Br)c1 ZINC000494289852 564821844 /nfs/dbraw/zinc/82/18/44/564821844.db2.gz GIYFCYITHIADFG-KRWDZBQOSA-N 1 0 398.272 2.822 20 0 GFADRO C[N@@H+](Cc1ccc(Br)c(F)c1)C[C@H](O)COC1CCOCC1 ZINC000494293311 564822125 /nfs/dbraw/zinc/82/21/25/564822125.db2.gz OASLAUIGKBIAQU-ZDUSSCGKSA-N 1 0 376.266 2.577 20 0 GFADRO C[C@H]1CN(C(=O)Nc2cnn(-c3ncc(Cl)cc3Cl)c2)C[C@H]1[NH+](C)C ZINC000494295538 564823332 /nfs/dbraw/zinc/82/33/32/564823332.db2.gz LGTDAVCLDJDCHC-IINYFYTJSA-N 1 0 383.283 2.988 20 0 GFADRO [NH3+]CC1CCN(C(=O)NCCNc2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000581992297 564825764 /nfs/dbraw/zinc/82/57/64/564825764.db2.gz RHCSDHKQGRVEOZ-UHFFFAOYSA-N 1 0 379.814 2.546 20 0 GFADRO COC(=O)c1cc(Br)cc(C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)c1 ZINC000462195224 564826697 /nfs/dbraw/zinc/82/66/97/564826697.db2.gz ZLYCOZBDDMWFPP-CABCVRRESA-N 1 0 383.286 2.838 20 0 GFADRO C[C@H]1C[C@H]1[N@@H+]1CCN(C(=O)C(=O)Nc2cccc(Br)c2)C[C@@H](C)C1 ZINC000556483948 564827887 /nfs/dbraw/zinc/82/78/87/564827887.db2.gz YZURGMWGXRIDMG-HEHGZKQESA-N 1 0 394.313 2.576 20 0 GFADRO CCC[N@H+](CC)CCNC(=O)NCc1cc(Br)cc2c1OCC2 ZINC000462224800 564828637 /nfs/dbraw/zinc/82/86/37/564828637.db2.gz UBUGHJWTVKOPIB-UHFFFAOYSA-N 1 0 384.318 2.915 20 0 GFADRO O=C(N[C@H](CO)C[NH+]1CCCCC1)[C@@H]1C[C@H]1c1csc(Br)c1 ZINC000529349714 564830076 /nfs/dbraw/zinc/83/00/76/564830076.db2.gz PELKVHHWIYENND-MELADBBJSA-N 1 0 387.343 2.577 20 0 GFADRO O=C(N[C@H]1CC[NH2+]C12CCC2)N[C@H]1CCOc2c(Br)cccc21 ZINC000529330188 564830112 /nfs/dbraw/zinc/83/01/12/564830112.db2.gz MFXJFHLJIXLENA-KBPBESRZSA-N 1 0 380.286 2.857 20 0 GFADRO O=C(NCc1ccc(Br)c(F)c1F)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000529340015 564830220 /nfs/dbraw/zinc/83/02/20/564830220.db2.gz GYFYYIZRNHCVFC-MVWJERBFSA-N 1 0 388.256 2.915 20 0 GFADRO O=C(N[C@@H]1CC[NH2+]C12CCC2)N1CCc2c(Br)ccc(F)c2C1 ZINC000529362338 564831202 /nfs/dbraw/zinc/83/12/02/564831202.db2.gz ZXKTUSSTEBVEKH-OAHLLOKOSA-N 1 0 382.277 2.941 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)CC[C@H]1CCC[NH2+]1 ZINC000494462061 564831275 /nfs/dbraw/zinc/83/12/75/564831275.db2.gz CUFLNEXNOIVVNT-CQSZACIVSA-N 1 0 382.302 2.735 20 0 GFADRO O=C(NC[C@H]1COCC[NH2+]1)N(Cc1ccccc1Br)C1CCCC1 ZINC000529375194 564831822 /nfs/dbraw/zinc/83/18/22/564831822.db2.gz IRQWCRLCQCYJGG-HNNXBMFYSA-N 1 0 396.329 2.892 20 0 GFADRO C[C@H]([NH3+])C1CCN(C(=O)NCc2ccc(Br)c(F)c2F)CC1 ZINC000529367930 564832272 /nfs/dbraw/zinc/83/22/72/564832272.db2.gz ASNYNTAJEGWTKI-VIFPVBQESA-N 1 0 376.245 2.996 20 0 GFADRO CC[C@@H]1CN(CC[NH2+][C@@H](C)CC(=O)Nc2cccc(Br)c2)CCO1 ZINC000494511768 564832568 /nfs/dbraw/zinc/83/25/68/564832568.db2.gz ITHOPFDMSWCGRM-WMLDXEAASA-N 1 0 398.345 2.867 20 0 GFADRO CN1CC[C@@H](CNS(=O)(=O)c2ccccn2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000582137510 564832614 /nfs/dbraw/zinc/83/26/14/564832614.db2.gz SSLNYDKBNDEQPH-SUMWQHHRSA-N 1 0 383.876 2.845 20 0 GFADRO C[N@@H+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)[C@@H]1C[C@H]1c1csc(Br)c1 ZINC000529427196 564835027 /nfs/dbraw/zinc/83/50/27/564835027.db2.gz QGNLZPMHZFXPPJ-YJNKXOJESA-N 1 0 399.354 2.936 20 0 GFADRO Cc1ccc(Br)c(C)c1C(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000556770645 564838738 /nfs/dbraw/zinc/83/87/38/564838738.db2.gz ICEFROQWHLRCNQ-CYBMUJFWSA-N 1 0 383.330 2.983 20 0 GFADRO C[N@@H+]1CCC[C@H](N2CCN(Cc3ncc(Cl)cc3Br)CC2)C1 ZINC000529529115 564840114 /nfs/dbraw/zinc/84/01/14/564840114.db2.gz ZEVLLFDXLUTUAZ-AWEZNQCLSA-N 1 0 387.753 2.709 20 0 GFADRO Cn1ccnc1[C@@H]1CC[N@@H+]([C@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000582309002 564841057 /nfs/dbraw/zinc/84/10/57/564841057.db2.gz HMGXCFOIISTREO-CJNGLKHVSA-N 1 0 389.297 2.777 20 0 GFADRO COCc1nc(CNC(=O)[C@@H]2C[N@@H+](C(C)(C)C)C[C@H]2C(F)(F)F)cs1 ZINC000582363692 564842400 /nfs/dbraw/zinc/84/24/00/564842400.db2.gz GQXYQGOMPDRHQL-VXGBXAGGSA-N 1 0 379.448 2.815 20 0 GFADRO COc1c[nH+]ccc1N1CCN(Cc2ncc(Br)cc2F)CC1 ZINC000529560253 564843268 /nfs/dbraw/zinc/84/32/68/564843268.db2.gz ZZEQCVOKDDUJDI-UHFFFAOYSA-N 1 0 381.249 2.709 20 0 GFADRO C[C@@H]1C[C@@H](NS(=O)(=O)c2cc(Br)ccc2Cl)CC[N@@H+]1C ZINC000462499690 564844328 /nfs/dbraw/zinc/84/43/28/564844328.db2.gz JGSBEXNZPKJJTA-KOLCDFICSA-N 1 0 381.723 2.864 20 0 GFADRO COC(=O)c1cccc(NC(=O)N[C@H]2CCC[N@H+](C)[C@@H]2C)c1Br ZINC000495031399 564846771 /nfs/dbraw/zinc/84/67/71/564846771.db2.gz RNVDLSAEPWAOOM-PWSUYJOCSA-N 1 0 384.274 2.840 20 0 GFADRO COc1ccc(Br)c(NC(=O)N2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)c1 ZINC000582474352 564848243 /nfs/dbraw/zinc/84/82/43/564848243.db2.gz QUVZMYOHRJWAEF-ZBFHGGJFSA-N 1 0 398.301 2.818 20 0 GFADRO C[C@@H](CCNS(=O)(=O)c1ccccc1)[NH2+]Cc1ccc(Br)cn1 ZINC000556970749 564849072 /nfs/dbraw/zinc/84/90/72/564849072.db2.gz PNRIODMWABTDOO-ZDUSSCGKSA-N 1 0 398.326 2.691 20 0 GFADRO CN(C)CC[N@H+](C)CCCN(C)CC(=O)Nc1cc(Cl)ccc1Cl ZINC000582509673 564849456 /nfs/dbraw/zinc/84/94/56/564849456.db2.gz LKPYRNYQKUHENI-UHFFFAOYSA-N 1 0 375.344 2.747 20 0 GFADRO [NH3+]C[C@H]1CCCN(C(=O)Nc2ccnn2Cc2cccc(Br)c2)C1 ZINC000557002163 564850685 /nfs/dbraw/zinc/85/06/85/564850685.db2.gz GWNMDXFKELUQBV-CQSZACIVSA-N 1 0 392.301 2.897 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CNC(=O)N[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000495251880 564851409 /nfs/dbraw/zinc/85/14/09/564851409.db2.gz XAJPPUSZZZKZTO-RDJZCZTQSA-N 1 0 395.345 2.811 20 0 GFADRO O=C(NC[C@@H]1C[NH2+]CCCO1)Nc1nc2c(cccc2Br)s1 ZINC000557025822 564851786 /nfs/dbraw/zinc/85/17/86/564851786.db2.gz RUBBEOQOSJNSPL-VIFPVBQESA-N 1 0 385.287 2.559 20 0 GFADRO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]Cc1ccnc2ccnn21 ZINC000495412167 564853545 /nfs/dbraw/zinc/85/35/45/564853545.db2.gz AGDJJKSCXUUSPD-GFCCVEGCSA-N 1 0 388.269 2.999 20 0 GFADRO CS[C@@H]1CN(C(=O)Cc2csc(-n3c(C)ccc3C)n2)C[C@H]1[NH+](C)C ZINC000495566850 564855696 /nfs/dbraw/zinc/85/56/96/564855696.db2.gz ZTDXVOPQDKPPRM-HZPDHXFCSA-N 1 0 378.567 2.597 20 0 GFADRO COc1ccc(Br)cc1CC(=O)N1C[C@@H](SC)[C@H]([NH+](C)C)C1 ZINC000495674346 564855885 /nfs/dbraw/zinc/85/58/85/564855885.db2.gz ZROXJRQXHYMSGY-UKRRQHHQSA-N 1 0 387.343 2.504 20 0 GFADRO CS[C@@H]1CN(C(=O)c2ccccc2OCc2cscn2)C[C@@H]1[NH+](C)C ZINC000495635096 564855965 /nfs/dbraw/zinc/85/59/65/564855965.db2.gz ITKUXCFHJGVRIF-DOTOQJQBSA-N 1 0 377.535 2.840 20 0 GFADRO CC1([NH+]2CCOCC2)CCN(C(=O)COc2cccc(Br)c2)CC1 ZINC000529912174 564856093 /nfs/dbraw/zinc/85/60/93/564856093.db2.gz KHAVLEJPVRTVPK-UHFFFAOYSA-N 1 0 397.313 2.541 20 0 GFADRO COc1ccc(Cl)cc1CS(=O)(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000462719023 564857047 /nfs/dbraw/zinc/85/70/47/564857047.db2.gz LNCVGTZPPNURFB-OAHLLOKOSA-N 1 0 386.945 2.986 20 0 GFADRO COc1cc(Br)ccc1C(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000529914251 564857081 /nfs/dbraw/zinc/85/70/81/564857081.db2.gz RJAQSYBGSJZGAJ-UHFFFAOYSA-N 1 0 397.313 2.785 20 0 GFADRO O=C(N[C@H]1CSc2ccc(Br)cc21)N[C@@H]1C[NH2+]CCC1(F)F ZINC000557199708 564857558 /nfs/dbraw/zinc/85/75/58/564857558.db2.gz DXCWJQZWEJYORY-CMPLNLGQSA-N 1 0 392.269 2.892 20 0 GFADRO C[C@@H](CNc1ncnc2ccc(I)cc21)C[NH+]1CCCC1 ZINC000462784377 564857697 /nfs/dbraw/zinc/85/76/97/564857697.db2.gz FCQUAEOPCOUNEH-LBPRGKRZSA-N 1 0 396.276 3.378 20 0 GFADRO C[C@H](O)C[N@H+](C)C1CCN(Cc2cc(Br)cc3c2OCC3)CC1 ZINC000462797996 564858590 /nfs/dbraw/zinc/85/85/90/564858590.db2.gz IAOLFZQXKYGUGG-ZDUSSCGKSA-N 1 0 383.330 2.661 20 0 GFADRO O=C1[C@@H]([NH2+]C[C@H](O)COCc2cccs2)CCN1c1cccc(Cl)c1 ZINC000582720870 564858886 /nfs/dbraw/zinc/85/88/86/564858886.db2.gz KNVWHFMJEVYPRM-RDJZCZTQSA-N 1 0 380.897 2.674 20 0 GFADRO CC[N@@H+]1CCCN(c2ncnc3ccc(I)cc32)CC1 ZINC000462831146 564858860 /nfs/dbraw/zinc/85/88/60/564858860.db2.gz CZQSRTFNMQVZSF-UHFFFAOYSA-N 1 0 382.249 2.766 20 0 GFADRO CC[C@H]([NH2+]CC(=O)N1CCN(c2cnccn2)CC1)c1ccc(Cl)s1 ZINC000557271536 564859437 /nfs/dbraw/zinc/85/94/37/564859437.db2.gz DTLQWWDRQQVUAD-ZDUSSCGKSA-N 1 0 379.917 2.581 20 0 GFADRO CC[NH+](CC)CCN(C(=O)C[C@H]1CCOC1)c1ccc(Br)cn1 ZINC000582730946 564859854 /nfs/dbraw/zinc/85/98/54/564859854.db2.gz OZMGRYALFZOWEW-CQSZACIVSA-N 1 0 384.318 2.946 20 0 GFADRO O=C(Cc1ccccc1I)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000530022797 564860035 /nfs/dbraw/zinc/86/00/35/564860035.db2.gz JXVAXKOVTLKDMS-OAHLLOKOSA-N 1 0 398.288 2.967 20 0 GFADRO O=C(NC[C@H]1CC[N@@H+]1C1CCCC1)c1cn2ccc(Br)cc2n1 ZINC000530028650 564860138 /nfs/dbraw/zinc/86/01/38/564860138.db2.gz QDSSOYSQVPGVRE-CQSZACIVSA-N 1 0 377.286 2.844 20 0 GFADRO CC(=O)N1CCC[C@H](C(=O)N[C@@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)C1 ZINC000530033001 564860697 /nfs/dbraw/zinc/86/06/97/564860697.db2.gz YMMOQRKVEZUFGV-YOEHRIQHSA-N 1 0 386.323 2.971 20 0 GFADRO CC[N@@H+]1CCN(C(=O)CCNC(=O)Nc2ccc(Br)cc2)[C@H](C)C1 ZINC000557538215 564866977 /nfs/dbraw/zinc/86/69/77/564866977.db2.gz YJRSYKXXIHUTLY-CYBMUJFWSA-N 1 0 397.317 2.513 20 0 GFADRO C[NH+](C)Cc1cccc(NC(=O)C(=O)N2CCc3sc(Cl)cc3C2)c1 ZINC000582904044 564867469 /nfs/dbraw/zinc/86/74/69/564867469.db2.gz VRQRFZHSIAZGGD-UHFFFAOYSA-N 1 0 377.897 2.987 20 0 GFADRO C[C@H]1[C@H](c2ccc(Br)cc2)OCCN1CC[N@@H+]1CCCOCC1 ZINC000463113009 564870137 /nfs/dbraw/zinc/87/01/37/564870137.db2.gz NFUVSXATASWPOP-MAUKXSAKSA-N 1 0 383.330 2.933 20 0 GFADRO C[C@H](O)C[N@@H+]1CCN(c2ccc(Br)c(C(F)(F)F)n2)[C@H](C)C1 ZINC000557658074 564871662 /nfs/dbraw/zinc/87/16/62/564871662.db2.gz ZLFIBLQRNFXNHL-ZJUUUORDSA-N 1 0 382.224 2.754 20 0 GFADRO Brc1ccc(OCc2ccccn2)c(C[NH2+]C[C@H]2COCCN2)c1 ZINC000530246923 564872873 /nfs/dbraw/zinc/87/28/73/564872873.db2.gz MXVALPWYELIYQP-KRWDZBQOSA-N 1 0 392.297 2.501 20 0 GFADRO C[NH+](C)[C@@H]1CCCN(C(=O)NCc2cc(Br)cc3c2OCC3)C1 ZINC000463256178 564874958 /nfs/dbraw/zinc/87/49/58/564874958.db2.gz JWYVMUNXVDUJGW-OAHLLOKOSA-N 1 0 382.302 2.620 20 0 GFADRO CSC[C@@H](O)C[NH2+][C@@H](C)c1ccc(Br)cc1OCCCO ZINC000463359343 564876651 /nfs/dbraw/zinc/87/66/51/564876651.db2.gz HIDPQPJSVIXLEM-AAEUAGOBSA-N 1 0 378.332 2.585 20 0 GFADRO Cc1nn(C)c(C[NH2+]C[C@@]2(CO)C[C@@H]2c2ccc(F)cc2)c1Br ZINC000583123663 564876768 /nfs/dbraw/zinc/87/67/68/564876768.db2.gz SBCANDCXBUCZNC-RHSMWYFYSA-N 1 0 382.277 2.886 20 0 GFADRO CCCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(Br)cc1OCCCO ZINC000463370738 564877155 /nfs/dbraw/zinc/87/71/55/564877155.db2.gz XJTODIDWDPZNSU-QWHCGFSZSA-N 1 0 387.318 2.776 20 0 GFADRO [NH3+]CC[C@@H](NC(=O)c1ccc(-n2cc(Br)cn2)cc1)C(F)(F)F ZINC000583184552 564879258 /nfs/dbraw/zinc/87/92/58/564879258.db2.gz ADSKWRCHVFTTES-GFCCVEGCSA-N 1 0 391.191 2.644 20 0 GFADRO CCN1C[C@H](C)N(S(=O)(=O)Cc2ccccc2Br)C[C@@H]1C ZINC000557841484 564880785 /nfs/dbraw/zinc/88/07/85/564880785.db2.gz DKCCMKCDVWTWRM-STQMWFEESA-N 1 0 375.332 2.693 20 0 GFADRO CC[N@H+](C[C@@H](O)COc1ccc(Cl)cc1Br)[C@@H]1CCOC1 ZINC000463455285 564881900 /nfs/dbraw/zinc/88/19/00/564881900.db2.gz LPMREHFVZASXHC-CHWSQXEVSA-N 1 0 378.694 2.953 20 0 GFADRO CN(CCn1cc(Br)cn1)[C@@H]1CCCN(c2ccccc2F)C1=O ZINC000583286948 564884702 /nfs/dbraw/zinc/88/47/02/564884702.db2.gz LQNDIFZJJXSNJJ-MRXNPFEDSA-N 1 0 395.276 2.912 20 0 GFADRO Cc1cc(Br)cc(C(=O)N[C@@H](CC(C)C)C(=O)NCC[NH+](C)C)c1 ZINC000463591479 564885034 /nfs/dbraw/zinc/88/50/34/564885034.db2.gz LXZRGXQWYUGWTC-INIZCTEOSA-N 1 0 398.345 2.580 20 0 GFADRO CC(C)[NH+](CCNC(=O)NCC(=O)Nc1cccc(Br)c1)C(C)C ZINC000498112762 564888582 /nfs/dbraw/zinc/88/85/82/564888582.db2.gz CNOBHAHPVIPXQT-UHFFFAOYSA-N 1 0 399.333 2.806 20 0 GFADRO CC[NH+]1CCN(CCCNC(=O)CCc2cccc(Br)c2)CC1 ZINC000498200217 564891054 /nfs/dbraw/zinc/89/10/54/564891054.db2.gz HCTKPVAMBMYVOP-UHFFFAOYSA-N 1 0 382.346 2.526 20 0 GFADRO O=C([C@@H]1CC[N@@H+](Cc2ccc(I)cc2)C1)N1CCCC1 ZINC000558148443 564893834 /nfs/dbraw/zinc/89/38/34/564893834.db2.gz WFSGOWIHTHQBNO-CQSZACIVSA-N 1 0 384.261 2.736 20 0 GFADRO C[C@H]1C[C@H](NC(=O)C(=O)NCCCc2ccc(Cl)cc2Cl)CC[N@@H+]1C ZINC000558207598 564895441 /nfs/dbraw/zinc/89/54/41/564895441.db2.gz LXQCQPSEEWUTNO-SWLSCSKDSA-N 1 0 386.323 2.641 20 0 GFADRO COCc1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1ccc(Br)c(F)c1)CC2 ZINC000583516155 564895869 /nfs/dbraw/zinc/89/58/69/564895869.db2.gz MVHCUGJYOYVNRX-PWSUYJOCSA-N 1 0 383.265 2.992 20 0 GFADRO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)COc1ccc(Cl)c(Cl)c1 ZINC000498425789 564898617 /nfs/dbraw/zinc/89/86/17/564898617.db2.gz YOGDCLJKQPWLSN-UHFFFAOYSA-N 1 0 388.339 2.857 20 0 GFADRO CN(C)c1ncc(CN(CC[NH+](C)C)Cc2ccc(Br)cc2)cn1 ZINC000558418954 564899683 /nfs/dbraw/zinc/89/96/83/564899683.db2.gz LOPKABCFMKSTEO-UHFFFAOYSA-N 1 0 392.345 2.869 20 0 GFADRO Cc1ccncc1CCC[NH2+]CCCNS(=O)(=O)c1ccccc1Cl ZINC000558407168 564899878 /nfs/dbraw/zinc/89/98/78/564899878.db2.gz FUMKGOFCZBOXAE-UHFFFAOYSA-N 1 0 381.929 2.934 20 0 GFADRO O=C(NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)NC[C@]1(O)CCSC1 ZINC000531107065 564902116 /nfs/dbraw/zinc/90/21/16/564902116.db2.gz XGHLLNYYFNJVNN-SJLPKXTDSA-N 1 0 383.945 2.644 20 0 GFADRO [NH3+]C[C@@H]1CCCN(C(=O)C(=O)Nc2cccnc2-c2ccc(Cl)s2)C1 ZINC000583681541 564902508 /nfs/dbraw/zinc/90/25/08/564902508.db2.gz VAHDOPPHQAKKAJ-NSHDSACASA-N 1 0 378.885 2.599 20 0 GFADRO CC[NH+]1CCC(CNC(=O)CCCS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000583708987 564904567 /nfs/dbraw/zinc/90/45/67/564904567.db2.gz XSJYDWUSOAAXJA-UHFFFAOYSA-N 1 0 386.945 2.742 20 0 GFADRO CC[N@H+](CCNC(=O)C(=O)Nc1nc(-c2ccc(C)s2)cs1)C(C)C ZINC000498666566 564905501 /nfs/dbraw/zinc/90/55/01/564905501.db2.gz IZXWGZBHISUYIT-UHFFFAOYSA-N 1 0 380.539 2.965 20 0 GFADRO C[C@H]1CC[N@H+](C)CCN1C(=O)c1cnn(-c2cccc(Br)c2)c1 ZINC000498707205 564906085 /nfs/dbraw/zinc/90/60/85/564906085.db2.gz GNVHLJXBWLNGAC-ZDUSSCGKSA-N 1 0 377.286 2.801 20 0 GFADRO C[NH+](C)CCNC(=O)C(=O)Nc1cccc(-c2ccc(Br)cc2)c1 ZINC000498801193 564909460 /nfs/dbraw/zinc/90/94/60/564909460.db2.gz CHJJXASACGQQOM-UHFFFAOYSA-N 1 0 390.281 2.732 20 0 GFADRO C[C@@H](C1CC[NH+](C)CC1)N(C)S(=O)(=O)c1cccc(OC(F)(F)F)c1 ZINC000498885010 564911347 /nfs/dbraw/zinc/91/13/47/564911347.db2.gz VZACNAKAMOXZIW-LBPRGKRZSA-N 1 0 380.432 2.936 20 0 GFADRO C[N@@H+]1C[C@@H](NS(=O)(=O)c2ccc(Br)cc2)[C@@H](c2ccccc2)C1 ZINC000498877300 564911392 /nfs/dbraw/zinc/91/13/92/564911392.db2.gz SCCWCAHDFPXJEJ-IAGOWNOFSA-N 1 0 395.322 2.825 20 0 GFADRO NC(=O)C1(O)CCN(c2cc(C3CC3)nc3c(Br)cccc23)CC1 ZINC000583921795 564912757 /nfs/dbraw/zinc/91/27/57/564912757.db2.gz SPBYGZRRWNKSQY-UHFFFAOYSA-N 1 0 390.281 2.691 20 0 GFADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]CC[C@@H]1COc2ccccc2O1 ZINC000583918835 564912877 /nfs/dbraw/zinc/91/28/77/564912877.db2.gz TUIJKGGTOHHDPC-UKRRQHHQSA-N 1 0 393.281 2.819 20 0 GFADRO O=S1(=O)CCCN1C1CCN(Cc2csc(-c3ccccc3)n2)CC1 ZINC000583980719 564914958 /nfs/dbraw/zinc/91/49/58/564914958.db2.gz LRKGOACFOMZDKC-UHFFFAOYSA-N 1 0 377.535 2.810 20 0 GFADRO Cc1cc(NC(=O)C(=O)NC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)sn1 ZINC000499063434 564916448 /nfs/dbraw/zinc/91/64/48/564916448.db2.gz KZTKRGLPPVWJHB-IUODEOHRSA-N 1 0 378.523 2.651 20 0 GFADRO CC[N@H+](CCNC(=O)C(=O)Nc1cccc(Br)c1Cl)C1CC1 ZINC000559016321 564920607 /nfs/dbraw/zinc/92/06/07/564920607.db2.gz XGNAVSPFFLRVHW-UHFFFAOYSA-N 1 0 388.693 2.642 20 0 GFADRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NCCOc1ccc(Br)cc1 ZINC000531803664 564921012 /nfs/dbraw/zinc/92/10/12/564921012.db2.gz PBULWVJPUQBGSD-WBMJQRKESA-N 1 0 382.302 2.610 20 0 GFADRO CC[NH+](CC)[C@@H]1CCN(C(=O)[C@H](C)NC(=O)c2ccc(Br)cc2)C1 ZINC000464970954 564921141 /nfs/dbraw/zinc/92/11/41/564921141.db2.gz HJZGJPYRSUUUGR-XJKSGUPXSA-N 1 0 396.329 2.510 20 0 GFADRO CCN(CCC[NH+](C)C)C(=O)c1cnc2ccc(Br)cc2c1O ZINC000559037920 564921547 /nfs/dbraw/zinc/92/15/47/564921547.db2.gz QFJDGNNZWCBKRM-UHFFFAOYSA-N 1 0 380.286 2.704 20 0 GFADRO C[NH+](C)C[C@@H]1CCCN1C(=O)CCNC(=O)Nc1ccc(Br)cc1 ZINC000464932309 564921670 /nfs/dbraw/zinc/92/16/70/564921670.db2.gz JRXUBCUHBIBYJM-HNNXBMFYSA-N 1 0 397.317 2.513 20 0 GFADRO CC(C)C[N@@H+]1CC[C@@H](CNc2ccc(S(N)(=O)=O)c(C(F)(F)F)c2)C1 ZINC000465056882 564922467 /nfs/dbraw/zinc/92/24/67/564922467.db2.gz FFKLNHDCGPFCKU-LBPRGKRZSA-N 1 0 379.448 2.743 20 0 GFADRO CC[N@@H+]1CC[C@H]2OCCN(S(=O)(=O)c3cc(C(C)C)ccc3Cl)[C@H]2C1 ZINC000559128847 564922776 /nfs/dbraw/zinc/92/27/76/564922776.db2.gz XINXMUTWGMNFDV-DLBZAZTESA-N 1 0 386.945 2.947 20 0 GFADRO C[NH+](C)Cc1ccc(S(=O)(=O)N[C@@H](c2nccs2)C(F)(F)F)cc1 ZINC000559138526 564923636 /nfs/dbraw/zinc/92/36/36/564923636.db2.gz IEIRCEVMEXTBQE-LBPRGKRZSA-N 1 0 379.429 2.787 20 0 GFADRO C[C@@H]1Cc2cc(S(=O)(=O)N3CC[C@@]4(C3)CCC[N@H+](C)C4)cc(Cl)c2O1 ZINC000559134587 564924028 /nfs/dbraw/zinc/92/40/28/564924028.db2.gz ZYOYTCMALPKFPA-ACJLOTCBSA-N 1 0 384.929 2.770 20 0 GFADRO CC[N@@H+]1CCCN(C(=O)C(=O)NC[C@@H](C)c2c(Cl)cccc2Cl)CC1 ZINC000584248824 564926801 /nfs/dbraw/zinc/92/68/01/564926801.db2.gz GLBSTAGRWIGTMC-CYBMUJFWSA-N 1 0 386.323 2.767 20 0 GFADRO C[C@@H](CNC(=O)c1cc(Br)cnc1N(C)C)[N@@H+]1CCC[C@H](C)C1 ZINC000499448047 564928160 /nfs/dbraw/zinc/92/81/60/564928160.db2.gz AEEDVKKNRBVFSC-STQMWFEESA-N 1 0 383.334 2.760 20 0 GFADRO C[C@@H]1CCC[N@H+](CCNC(=O)C2(c3cccc(Br)c3)CC(=O)C2)C1 ZINC000559267287 564928545 /nfs/dbraw/zinc/92/85/45/564928545.db2.gz MYUUFDQJIMIQRH-CQSZACIVSA-N 1 0 393.325 2.898 20 0 GFADRO [NH3+]CCCOC1CCN(Cc2cc3c(cc2Br)OCCCO3)CC1 ZINC000584292405 564929741 /nfs/dbraw/zinc/92/97/41/564929741.db2.gz POEYRCILHZHREB-UHFFFAOYSA-N 1 0 399.329 2.940 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)N1CCC([C@H](O)C(F)(F)F)CC1)c1ccsc1 ZINC000532214574 564932168 /nfs/dbraw/zinc/93/21/68/564932168.db2.gz SDKZEHFDOPBNAZ-KBPBESRZSA-N 1 0 379.448 2.696 20 0 GFADRO CCS[C@@H]1CCCC[C@H]1NC(=O)C(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000559394647 564932237 /nfs/dbraw/zinc/93/22/37/564932237.db2.gz YYEIMDDHRRDLMG-RBSFLKMASA-N 1 0 383.583 2.648 20 0 GFADRO CO[C@H]1C[C@@H](CN(C)C(=O)c2ccnc(SCC(F)(F)F)c2)[N@H+](C)C1 ZINC000499715368 564934294 /nfs/dbraw/zinc/93/42/94/564934294.db2.gz WVLJYKWIRMPLHN-STQMWFEESA-N 1 0 377.432 2.527 20 0 GFADRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)Cc1cscc1Br ZINC000559581810 564936180 /nfs/dbraw/zinc/93/61/80/564936180.db2.gz KPGVDIACZMBKPG-CYBMUJFWSA-N 1 0 375.332 2.622 20 0 GFADRO O[C@@]1(CNCc2cncc(Br)c2)CC[N@H+](Cc2ccccc2)C1 ZINC000466375784 564938865 /nfs/dbraw/zinc/93/88/65/564938865.db2.gz YOKOLRZVDHLCST-GOSISDBHSA-N 1 0 376.298 2.571 20 0 GFADRO Cc1cc(C[NH2+]Cc2cnc3cnccn23)ccc1I ZINC000466365541 564939232 /nfs/dbraw/zinc/93/92/32/564939232.db2.gz XLWOXRHRMHDNLQ-UHFFFAOYSA-N 1 0 378.217 2.932 20 0 GFADRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)CCc1ccccc1Br ZINC000499893498 564939436 /nfs/dbraw/zinc/93/94/36/564939436.db2.gz DSSWRAQZCAOBES-INIZCTEOSA-N 1 0 383.330 2.951 20 0 GFADRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)COc1cc(Cl)ccc1Cl ZINC000499897241 564939475 /nfs/dbraw/zinc/93/94/75/564939475.db2.gz QCWMLQSKISKMBC-AWEZNQCLSA-N 1 0 375.296 2.941 20 0 GFADRO CC(C)(C)n1cc(C[NH2+]CCCNS(=O)(=O)c2ccccc2Cl)cn1 ZINC000466383539 564939891 /nfs/dbraw/zinc/93/98/91/564939891.db2.gz QYJWIPUXTCMCAK-UHFFFAOYSA-N 1 0 384.933 2.750 20 0 GFADRO CSc1ccc([C@H](C)[NH2+]Cc2cnn([C@]3(C)CCS(=O)(=O)C3)c2)cc1 ZINC000466415464 564940531 /nfs/dbraw/zinc/94/05/31/564940531.db2.gz GNBWUKIVERXYHS-KBXCAEBGSA-N 1 0 379.551 2.990 20 0 GFADRO C[C@@H](CNC(=O)C(=O)Nc1ccc(Br)c(Cl)c1)[NH+]1CCCC1 ZINC000532596084 564941017 /nfs/dbraw/zinc/94/10/17/564941017.db2.gz DRRBGOADLDOFHA-JTQLQIEISA-N 1 0 388.693 2.642 20 0 GFADRO O=C1NC2(CCCCC2)C(=O)N1CCC[NH2+]Cc1cncc(Br)c1 ZINC000466449684 564941398 /nfs/dbraw/zinc/94/13/98/564941398.db2.gz UORUZKFAEIAAJV-UHFFFAOYSA-N 1 0 395.301 2.579 20 0 GFADRO C[C@@]1(n2cc(C[NH2+]Cc3csc4ccccc34)cn2)CCS(=O)(=O)C1 ZINC000532681157 564942688 /nfs/dbraw/zinc/94/26/88/564942688.db2.gz BTQDMVQTUYXOQZ-GOSISDBHSA-N 1 0 375.519 2.921 20 0 GFADRO Cc1ncc(C[NH2+]Cc2ccc(Br)cc2N2CCOCC2)cn1 ZINC000532707540 564943042 /nfs/dbraw/zinc/94/30/42/564943042.db2.gz QPJVMDUIILDOCN-UHFFFAOYSA-N 1 0 377.286 2.674 20 0 GFADRO C[C@@H](CNC(=O)C(=O)Nc1cccc(Cl)c1SCC(F)F)C[NH+](C)C ZINC000559974973 564943312 /nfs/dbraw/zinc/94/33/12/564943312.db2.gz RKMVNHHECLOQTJ-JTQLQIEISA-N 1 0 393.887 2.950 20 0 GFADRO Oc1ccc2c(c1)C[N@H+](C[C@@H](O)COc1ccc(Br)cc1)CC2 ZINC000532730366 564943336 /nfs/dbraw/zinc/94/33/36/564943336.db2.gz QQQMNKFCRTYRCE-QGZVFWFLSA-N 1 0 378.266 2.953 20 0 GFADRO COc1ccc(C(=O)NC2(C[NH+](C)C)CCC2)cc1I ZINC000466576016 564943613 /nfs/dbraw/zinc/94/36/13/564943613.db2.gz LLDRYQPUDZIQAZ-UHFFFAOYSA-N 1 0 388.249 2.514 20 0 GFADRO C[N@@H+]1CC[C@H]2CCN(S(=O)(=O)c3cccc(Br)c3Cl)[C@@H]2C1 ZINC000560034045 564945383 /nfs/dbraw/zinc/94/53/83/564945383.db2.gz HBNZORIHEYIYOR-CMPLNLGQSA-N 1 0 393.734 2.817 20 0 GFADRO C[N@@H+]1CC[C@H]2CCN(S(=O)(=O)c3cccc(Br)c3Cl)[C@H]2C1 ZINC000560034050 564945484 /nfs/dbraw/zinc/94/54/84/564945484.db2.gz HBNZORIHEYIYOR-JQWIXIFHSA-N 1 0 393.734 2.817 20 0 GFADRO CC(C)(C)[C@H](O)C[C@H](CO)[NH2+]CC1=Cc2cc(Br)ccc2OC1 ZINC000560066331 564948106 /nfs/dbraw/zinc/94/81/06/564948106.db2.gz BSMXOZPIIKLJRR-NVXWUHKLSA-N 1 0 384.314 2.973 20 0 GFADRO CS(=O)(=O)NC[C@H]1CCC[C@H]1[NH2+]Cc1c(Cl)cccc1N1CCCC1 ZINC000500461895 564954294 /nfs/dbraw/zinc/95/42/94/564954294.db2.gz KRXAORVFYBCPDJ-RHSMWYFYSA-N 1 0 385.961 2.748 20 0 GFADRO COC(=O)c1ccc(C[NH2+]C2CCN(C(=O)C3CC3)CC2)c(Br)c1 ZINC000560258844 564954856 /nfs/dbraw/zinc/95/48/56/564954856.db2.gz GOTFMVRFLMDTPS-UHFFFAOYSA-N 1 0 395.297 2.726 20 0 GFADRO Cc1cc(C[NH2+][C@@H]2CCC[C@H]2CNS(C)(=O)=O)c(OC(F)F)cc1C ZINC000500492900 564955127 /nfs/dbraw/zinc/95/51/27/564955127.db2.gz CIXIGMFMMVEHIZ-DZGCQCFKSA-N 1 0 376.469 2.712 20 0 GFADRO CC[C@H](Cc1ccccc1Br)C(=O)N[C@@H]1CC[N@H+](CCOC)C1 ZINC000467101404 564956081 /nfs/dbraw/zinc/95/60/81/564956081.db2.gz MXUCGKYDNNJQCD-GDBMZVCRSA-N 1 0 383.330 2.855 20 0 GFADRO CS(=O)(=O)NC[C@H]1CCC[C@H]1[NH2+]Cc1cc(Cl)ccc1Br ZINC000500512612 564956326 /nfs/dbraw/zinc/95/63/26/564956326.db2.gz KAVYAKCFFMOVCH-QMTHXVAHSA-N 1 0 395.750 2.910 20 0 GFADRO Cc1cc(C[NH2+][C@@H]2CCC[C@@H]2CNS(C)(=O)=O)sc1Br ZINC000500564660 564957166 /nfs/dbraw/zinc/95/71/66/564957166.db2.gz LWFJYIXPPPDNIM-ZYHUDNBSSA-N 1 0 381.361 2.627 20 0 GFADRO Cc1cc(Br)c(C[NH2+][C@H]2CCCN(Cc3nccn3C)C2=O)s1 ZINC000560359857 564958871 /nfs/dbraw/zinc/95/88/71/564958871.db2.gz JJAKSISMGTZDEN-ZDUSSCGKSA-N 1 0 397.342 2.833 20 0 GFADRO C[N@H+](CC(=O)N1CCOC[C@@H]1c1nc2ccccc2s1)[C@@H]1CCSC1 ZINC000500673908 564959666 /nfs/dbraw/zinc/95/96/66/564959666.db2.gz AFWCWXVEVWLUFB-UKRRQHHQSA-N 1 0 377.535 2.634 20 0 GFADRO CO[C@H]1C[N@H+](CC(=O)N(C)CCOc2ccc(Br)cc2)CC[C@@H]1C ZINC000467293347 564960469 /nfs/dbraw/zinc/96/04/69/564960469.db2.gz JTDPDVDACXORBI-YOEHRIQHSA-N 1 0 399.329 2.643 20 0 GFADRO CC[C@H](C)[N@H+](C)CC(=O)N(C)CC(=O)Nc1ccc(Br)cc1C ZINC000533368497 564961214 /nfs/dbraw/zinc/96/12/14/564961214.db2.gz DUTYEVUQMCHSKJ-ZDUSSCGKSA-N 1 0 384.318 2.885 20 0 GFADRO COC(C)(C)C[N@H+](C)CC(=O)Nc1ccc(I)cc1 ZINC000533345453 564961260 /nfs/dbraw/zinc/96/12/60/564961260.db2.gz UENFTAMGSNHPJJ-UHFFFAOYSA-N 1 0 376.238 2.587 20 0 GFADRO CC[N@@H+]1CCC[C@H](CNC(=O)Cc2cc3c(cc2Br)OCCO3)C1 ZINC000500847821 564964460 /nfs/dbraw/zinc/96/44/60/564964460.db2.gz SVTZJVKHVDRCAB-CYBMUJFWSA-N 1 0 397.313 2.611 20 0 GFADRO O=c1cc(C[N@@H+]2CCC[C@H]([C@@H]3CCOC3)C2)nc2ccc(Br)cn12 ZINC000533539057 564964799 /nfs/dbraw/zinc/96/47/99/564964799.db2.gz PBGKJDFWFNKYOP-UONOGXRCSA-N 1 0 392.297 2.706 20 0 GFADRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NS(=O)(=O)c1ccc(Br)cc1Cl ZINC000467509504 564965578 /nfs/dbraw/zinc/96/55/78/564965578.db2.gz GAVZZLAZVFKMNF-ZANVPECISA-N 1 0 393.734 2.864 20 0 GFADRO C[NH+](C)CC(C)(C)CNC(=O)c1cccc(F)c1I ZINC000533544230 564965802 /nfs/dbraw/zinc/96/58/02/564965802.db2.gz NKEJTRUPTHYQIW-UHFFFAOYSA-N 1 0 378.229 2.748 20 0 GFADRO CS(=O)(=O)[C@@H]1CCC[C@@H]([NH2+][C@@H](CO)c2ccc(Br)c(F)c2)C1 ZINC000560533448 564966504 /nfs/dbraw/zinc/96/65/04/564966504.db2.gz IVCXFJHYWPUUET-JMSVASOKSA-N 1 0 394.306 2.567 20 0 GFADRO CN(C)S(=O)(=O)N1CCCC[C@@H]1C[NH2+]C1CC(c2ccccc2Cl)C1 ZINC000560533338 564966663 /nfs/dbraw/zinc/96/66/63/564966663.db2.gz CWPLMMSURSMFMZ-UYSNPLJNSA-N 1 0 385.961 2.837 20 0 GFADRO C[C@@H](C[NH2+]Cc1ccc(Br)c(Br)c1)S(C)(=O)=O ZINC000533587391 564967535 /nfs/dbraw/zinc/96/75/35/564967535.db2.gz LQWUCORLDMJRKW-QMMMGPOBSA-N 1 0 385.121 2.734 20 0 GFADRO O=C(COc1ccsc1Cl)NC[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1 ZINC000560614491 564970135 /nfs/dbraw/zinc/97/01/35/564970135.db2.gz GCDLJSAJQXPBRT-LSDHHAIUSA-N 1 0 380.897 2.532 20 0 GFADRO O=C(Nc1nnc(-c2cccc(Cl)c2)s1)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O ZINC000467696626 564970420 /nfs/dbraw/zinc/97/04/20/564970420.db2.gz VNPQVJZIJCYDEY-YOGCLGLASA-N 1 0 376.869 2.612 20 0 GFADRO CC1(C)CN(CC[NH2+]Cc2cn(-c3ccc(Cl)cc3Cl)nn2)CCO1 ZINC000533754982 564971511 /nfs/dbraw/zinc/97/15/11/564971511.db2.gz WKRCCCOGZSIIEX-UHFFFAOYSA-N 1 0 384.311 2.775 20 0 GFADRO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)Cc2ccccc2Br)CC1 ZINC000501145036 564972351 /nfs/dbraw/zinc/97/23/51/564972351.db2.gz WUBNGDBYCKXOGQ-QGZVFWFLSA-N 1 0 394.357 2.620 20 0 GFADRO O=C(NCCNc1cc[nH+]cc1)NCc1ccc(Br)cc1Cl ZINC000533812173 564973559 /nfs/dbraw/zinc/97/35/59/564973559.db2.gz QAJPOGKODGGTID-UHFFFAOYSA-N 1 0 383.677 2.831 20 0 GFADRO CS[C@@H]1CN(C(=O)Cc2csc(-c3cccc(F)c3)n2)C[C@@H]1[NH+](C)C ZINC000534091758 564979819 /nfs/dbraw/zinc/97/98/19/564979819.db2.gz OZYVOPMLIDBZBG-JKSUJKDBSA-N 1 0 379.526 2.996 20 0 GFADRO O=S1(=O)CC[C@H](C[NH2+]C2(Cc3ccc(F)cc3Cl)CCOCC2)C1 ZINC000561065144 564982377 /nfs/dbraw/zinc/98/23/77/564982377.db2.gz LWRPDAMVYQBHRC-CYBMUJFWSA-N 1 0 375.893 2.595 20 0 GFADRO CS[C@@H]1CN(CC(=O)Nc2ccc(Br)cc2F)C[C@@H]1[NH+](C)C ZINC000534216315 564982500 /nfs/dbraw/zinc/98/25/00/564982500.db2.gz MTJVMBZHLBXLID-UONOGXRCSA-N 1 0 390.322 2.504 20 0 GFADRO CCN(C(=O)CN1C[C@@H](SC)[C@H]([NH+](C)C)C1)c1nc2ccccc2s1 ZINC000534217135 564982799 /nfs/dbraw/zinc/98/27/99/564982799.db2.gz FTWJEWOTZXWDKC-GDBMZVCRSA-N 1 0 378.567 2.627 20 0 GFADRO O=C1C[C@H]([C@H]2CCCC[N@H+]2C[C@@H](O)COc2c(Cl)cccc2Cl)CN1 ZINC000534279414 564984619 /nfs/dbraw/zinc/98/46/19/564984619.db2.gz TYXVTDDMRWSWCQ-WOSRLPQWSA-N 1 0 387.307 2.724 20 0 GFADRO CC[NH+](CC)CCSCC(=O)N1CSC[C@@H]1C(=O)Nc1ccccc1 ZINC000468557557 564986534 /nfs/dbraw/zinc/98/65/34/564986534.db2.gz ZCFZOPBHZBTFPA-MRXNPFEDSA-N 1 0 381.567 2.602 20 0 GFADRO CC1CC[NH+](C[C@H](O)CNc2ccc(Br)c(C(F)(F)F)n2)CC1 ZINC000561193092 564986845 /nfs/dbraw/zinc/98/68/45/564986845.db2.gz DYEKORCGKPJUQS-LLVKDONJSA-N 1 0 396.251 3.368 20 0 GFADRO Cc1ncc(NC(=O)C(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)s1 ZINC000501945293 564988350 /nfs/dbraw/zinc/98/83/50/564988350.db2.gz FKTZGHDHMVMGPB-WFASDCNBSA-N 1 0 378.523 2.651 20 0 GFADRO C[C@@H](C[NH+]1CCOCC1)C(=O)NCC(C)(C)c1ccc(Br)cc1 ZINC000502035466 564989989 /nfs/dbraw/zinc/98/99/89/564989989.db2.gz WAJHECDCDOOKOY-AWEZNQCLSA-N 1 0 383.330 2.811 20 0 GFADRO CC[NH+](CC)[C@H](C(=O)NCCn1cc(Br)cn1)c1ccccc1 ZINC000561341766 564992460 /nfs/dbraw/zinc/99/24/60/564992460.db2.gz OUEDIHDFGWSRHO-INIZCTEOSA-N 1 0 379.302 2.845 20 0 GFADRO CS[C@@H]1CN(C(=O)c2cn(C)nc2-c2ccccc2Cl)C[C@H]1[NH+](C)C ZINC000534827778 564997125 /nfs/dbraw/zinc/99/71/25/564997125.db2.gz QFWJBXPCJCMJDS-HZPDHXFCSA-N 1 0 378.929 2.858 20 0 GFADRO C[C@@H](CC[NH+](C)C)NS(=O)(=O)c1c(Cl)cc(F)cc1Br ZINC000502419116 564997939 /nfs/dbraw/zinc/99/79/39/564997939.db2.gz NBQSPDATHVQGDV-QMMMGPOBSA-N 1 0 387.702 2.860 20 0 GFADRO CCC[N@@H+]1CCC[C@H]1CNS(=O)(=O)Cc1cccc(Br)c1 ZINC000561542744 565000397 /nfs/dbraw/zinc/00/03/97/565000397.db2.gz DHOXEZFOFCOYOX-HNNXBMFYSA-N 1 0 375.332 2.743 20 0 GFADRO C[C@@H](C[NH+](C)C)NS(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCCCO1 ZINC000561547372 565001180 /nfs/dbraw/zinc/00/11/80/565001180.db2.gz QFAIWIHWYBATCL-ZFWWWQNUSA-N 1 0 390.933 2.516 20 0 GFADRO O=C(C[NH2+][C@@H]1CCCC[C@H]1OC(F)F)NCCOc1cccc(Cl)c1 ZINC000502590938 565001961 /nfs/dbraw/zinc/00/19/61/565001961.db2.gz ISQZKGQNFFGPEK-HUUCEWRRSA-N 1 0 376.831 2.975 20 0 GFADRO CCC[NH+]1CCC(CNS(=O)(=O)c2ccccc2Br)CC1 ZINC000502691348 565003809 /nfs/dbraw/zinc/00/38/09/565003809.db2.gz SAWPBDDCJCYKGN-UHFFFAOYSA-N 1 0 375.332 2.849 20 0 GFADRO C[C@H](Cn1cc(Br)cn1)[NH2+]CCc1ccc(OCC[NH+](C)C)cc1 ZINC000469137429 565006991 /nfs/dbraw/zinc/00/69/91/565006991.db2.gz IJCZFQPXCDUNRF-OAHLLOKOSA-N 1 0 395.345 2.807 20 0 GFADRO C[C@@H]1CC[N@H+](C)CCN1C(=O)N[C@@H]1CCN(c2ccccc2Br)C1 ZINC000502981459 565010259 /nfs/dbraw/zinc/01/02/59/565010259.db2.gz JHBHPLUABKPMAM-HUUCEWRRSA-N 1 0 395.345 2.763 20 0 GFADRO CS[C@H]1CN(S(=O)(=O)c2cc(C(F)(F)F)ccc2F)C[C@H]1[NH+](C)C ZINC000503221436 565014668 /nfs/dbraw/zinc/01/46/68/565014668.db2.gz JXHGMWUPLZXDKJ-NEPJUHHUSA-N 1 0 386.436 2.511 20 0 GFADRO CC(=O)NCCN(CC[C@H]1CCC[N@H+]1C)Cc1ccc(Br)s1 ZINC000503246500 565016062 /nfs/dbraw/zinc/01/60/62/565016062.db2.gz ZYLYOEARNSXEMK-CQSZACIVSA-N 1 0 388.375 2.933 20 0 GFADRO Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000562202307 565020511 /nfs/dbraw/zinc/02/05/11/565020511.db2.gz USARPYYYUITOQF-GFCCVEGCSA-N 1 0 378.826 2.997 20 0 GFADRO Cc1cc(C(=O)Nc2cc(Br)ccc2N2CC[NH+](C)CC2)ncn1 ZINC000535778405 565020508 /nfs/dbraw/zinc/02/05/08/565020508.db2.gz HFINOEPYWXMNRD-UHFFFAOYSA-N 1 0 390.285 2.552 20 0 GFADRO CC[C@@H](C[N@H+](C)CC(=O)N1CCOCC1)Oc1ccc(Cl)c(Cl)c1 ZINC000469747983 565026529 /nfs/dbraw/zinc/02/65/29/565026529.db2.gz GHTDGKXNVDOXEF-ZDUSSCGKSA-N 1 0 375.296 2.941 20 0 GFADRO O=S(=O)(CC[NH2+]C[C@H]1Cc2ccccc2O1)c1cccc(Br)c1 ZINC000562382709 565026759 /nfs/dbraw/zinc/02/67/59/565026759.db2.gz WQQKOZODLDKKNJ-OAHLLOKOSA-N 1 0 396.306 2.816 20 0 GFADRO Clc1ccc(-n2cc(C[NH2+]CC3(N4CCOCC4)CC3)nn2)cc1Cl ZINC000562452995 565029869 /nfs/dbraw/zinc/02/98/69/565029869.db2.gz OULLBAUVMYXHDC-UHFFFAOYSA-N 1 0 382.295 2.529 20 0 GFADRO CCOc1cc(CN2CC[C@H](OC)C[C@@H]2C[NH3+])cc(Br)c1OC ZINC000469885051 565031171 /nfs/dbraw/zinc/03/11/71/565031171.db2.gz RSFVJKTZCDGBGJ-KGLIPLIRSA-N 1 0 387.318 2.795 20 0 GFADRO CC(C)[NH+](CCNC(=O)N[C@H](CO)c1ccc(Br)cc1)C(C)C ZINC000504068226 565033943 /nfs/dbraw/zinc/03/39/43/565033943.db2.gz MVUBVRBOXOVDNY-MRXNPFEDSA-N 1 0 386.334 2.901 20 0 GFADRO CCC(C)(C)[NH2+][C@@H](C)C(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000562578517 565034228 /nfs/dbraw/zinc/03/42/28/565034228.db2.gz FNTFBRDZMOYJIU-SWLSCSKDSA-N 1 0 396.329 2.837 20 0 GFADRO O=C(NCC[NH2+][C@H]1CCc2c1cc(Cl)cc2Br)c1cnccn1 ZINC000536303088 565034457 /nfs/dbraw/zinc/03/44/57/565034457.db2.gz VKHMYWQVWWMSEK-AWEZNQCLSA-N 1 0 395.688 2.899 20 0 GFADRO COC(=O)[C@@H]1CC[N@H+](CC(=O)N[C@@H](C)c2ccc(Br)cc2)[C@H]1C ZINC000470005085 565034498 /nfs/dbraw/zinc/03/44/98/565034498.db2.gz WIWANMZSOJDBMQ-SLEUVZQESA-N 1 0 383.286 2.510 20 0 GFADRO C[C@@H]1CCC[N@H+](CCNC(=O)N[C@H](CO)c2ccc(Br)cc2)C1 ZINC000504080536 565034754 /nfs/dbraw/zinc/03/47/54/565034754.db2.gz ILHKXCJTOOLEBL-CZUORRHYSA-N 1 0 384.318 2.514 20 0 GFADRO C[C@@H](CNC(=O)N[C@@H](CO)c1ccc(Br)cc1)C[NH+]1CCCC1 ZINC000504080414 565035021 /nfs/dbraw/zinc/03/50/21/565035021.db2.gz SMARTXOLQPDHPY-BBRMVZONSA-N 1 0 384.318 2.514 20 0 GFADRO C[C@@H](O)C[N@@H+]1CCN(C(=O)N[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)[C@H](C)C1 ZINC000504104685 565035682 /nfs/dbraw/zinc/03/56/82/565035682.db2.gz SFUHFROWFQAEHM-ALYFQZSWSA-N 1 0 386.323 2.946 20 0 GFADRO Cc1ncc(Br)cc1NC(=O)c1cccc(N2CC[NH+](C)CC2)n1 ZINC000562627898 565036030 /nfs/dbraw/zinc/03/60/30/565036030.db2.gz JWNJGAUTNXNVOI-UHFFFAOYSA-N 1 0 390.285 2.552 20 0 GFADRO C[C@@H](CO)[N@@H+]1CCCN(C(=O)c2ccc(Cl)cc2Br)CC1 ZINC000470078045 565037094 /nfs/dbraw/zinc/03/70/94/565037094.db2.gz DJJAVDMGGKQPTH-NSHDSACASA-N 1 0 375.694 2.631 20 0 GFADRO CC(C)c1n[nH]c(C(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)c1Br ZINC000470080267 565037247 /nfs/dbraw/zinc/03/72/47/565037247.db2.gz HTRVNWSIQXMUNX-LBPRGKRZSA-N 1 0 387.322 2.526 20 0 GFADRO COc1cc(Br)ccc1C(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000470088770 565038205 /nfs/dbraw/zinc/03/82/05/565038205.db2.gz YDKNXLBGNMOBIV-ZDUSSCGKSA-N 1 0 385.302 2.688 20 0 GFADRO CN(C)c1ncc(Br)cc1C(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000470232260 565041889 /nfs/dbraw/zinc/04/18/89/565041889.db2.gz FSDYUOGWEFQWES-CQSZACIVSA-N 1 0 395.345 2.714 20 0 GFADRO Cc1cc(Br)ccc1S(=O)(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000562764210 565042592 /nfs/dbraw/zinc/04/25/92/565042592.db2.gz CDLBZSKTEBKCBI-MRXNPFEDSA-N 1 0 387.343 2.864 20 0 GFADRO O=C(NC[C@@H]1C[NH2+]CCCO1)N1CC=C(c2cccc(Br)c2)CC1 ZINC000562820715 565044801 /nfs/dbraw/zinc/04/48/01/565044801.db2.gz BEXYIZHRBLJRIT-KRWDZBQOSA-N 1 0 394.313 2.626 20 0 GFADRO Cc1cc(NC(=O)C(=O)NCC2(C)CC[NH+](C)CC2)ccc1Br ZINC000504974136 565047061 /nfs/dbraw/zinc/04/70/61/565047061.db2.gz DUQDLSNZHATBSI-UHFFFAOYSA-N 1 0 382.302 2.544 20 0 GFADRO Cc1c2cc(Cl)ccc2oc1S(=O)(=O)NCC1([NH+](C)C)CCOCC1 ZINC000470614013 565050767 /nfs/dbraw/zinc/05/07/67/565050767.db2.gz PSPOFOHMHKAGPI-UHFFFAOYSA-N 1 0 386.901 2.784 20 0 GFADRO CC[NH+](CC)CCN(Cc1cccs1)C(=O)c1ccc(S(C)(=O)=O)o1 ZINC000470633677 565051615 /nfs/dbraw/zinc/05/16/15/565051615.db2.gz OSSCAHXSHJGLBL-UHFFFAOYSA-N 1 0 384.523 2.729 20 0 GFADRO O=C([C@@H]1C[C@]12CCc1cc(Br)ccc12)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000563089186 565055499 /nfs/dbraw/zinc/05/54/99/565055499.db2.gz WTHHCPSMSLPMTF-UHEFJODHSA-N 1 0 375.310 2.863 20 0 GFADRO CC(C)[NH2+]CCC(=O)N[C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000563089694 565055529 /nfs/dbraw/zinc/05/55/29/565055529.db2.gz OFECFWIVZVPYNZ-GFCCVEGCSA-N 1 0 378.826 2.837 20 0 GFADRO COc1cc(C(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc(Br)c1OC ZINC000563100174 565055843 /nfs/dbraw/zinc/05/58/43/565055843.db2.gz RWZFGCNOCQEMKY-QWHCGFSZSA-N 1 0 397.313 2.928 20 0 GFADRO C[C@@H]([NH3+])C[C@@H](C)NS(=O)(=O)c1cc(C(F)(F)F)ccc1Br ZINC000563124539 565056289 /nfs/dbraw/zinc/05/62/89/565056289.db2.gz GJHYDFSIFDQDMM-HTQZYQBOSA-N 1 0 389.237 2.872 20 0 GFADRO OC[C@@H](C[NH2+]C[C@H](O)CC(F)(F)F)Cc1ccc(F)c(Br)c1 ZINC000563137950 565056816 /nfs/dbraw/zinc/05/68/16/565056816.db2.gz JPHMGIIEARSGNI-GHMZBOCLSA-N 1 0 388.199 2.642 20 0 GFADRO CS[C@@H]1CN(C[C@@H](O)COc2ccc(Cl)cc2Cl)C[C@@H]1[NH+](C)C ZINC000537291104 565056893 /nfs/dbraw/zinc/05/68/93/565056893.db2.gz TVPZGLIJNJCRHV-IVMMDQJWSA-N 1 0 379.353 2.711 20 0 GFADRO O=S(=O)(Cc1cccc(Br)c1)NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000563138093 565057006 /nfs/dbraw/zinc/05/70/06/565057006.db2.gz JMQGMXNZVMAMRN-KRWDZBQOSA-N 1 0 395.322 2.756 20 0 GFADRO CC[N@@H+]1CCCC[C@H]1CNC(=O)NCC(=O)Nc1cccc(Br)c1 ZINC000537602037 565059970 /nfs/dbraw/zinc/05/99/70/565059970.db2.gz SPRDIQFJMLEFFR-HNNXBMFYSA-N 1 0 397.317 2.561 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)c1cnn2cc(Br)cnc12)c1ccsc1 ZINC000537646098 565060890 /nfs/dbraw/zinc/06/08/90/565060890.db2.gz ZODRAHGRRUVVLF-ZDUSSCGKSA-N 1 0 394.298 2.586 20 0 GFADRO C[N@H+](CC1CC1)C[C@@H]1CCN(S(=O)(=O)c2c[nH]c3nccc(Cl)c23)C1 ZINC000537654508 565060904 /nfs/dbraw/zinc/06/09/04/565060904.db2.gz QSTDUWGMHIZINP-ZDUSSCGKSA-N 1 0 382.917 2.569 20 0 GFADRO O=C(NCCSCC(F)(F)F)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000537674154 565061347 /nfs/dbraw/zinc/06/13/47/565061347.db2.gz QTZQOOQJYMSINT-UHFFFAOYSA-N 1 0 376.448 2.641 20 0 GFADRO O=C(CCNc1ncc(C(F)(F)F)cc1Cl)NCC[N@H+]1CC=CCC1 ZINC000537723758 565062065 /nfs/dbraw/zinc/06/20/65/565062065.db2.gz NERZOPNQEXMANB-UHFFFAOYSA-N 1 0 376.810 2.934 20 0 GFADRO O=C(C[NH2+][C@H](c1ccc(Br)cc1)[C@@H]1CCCO1)NCC(F)F ZINC000684611549 565077095 /nfs/dbraw/zinc/07/70/95/565077095.db2.gz HDOYIXUXCBHAKX-SWLSCSKDSA-N 1 0 377.229 2.640 20 0 GFADRO O=C(N(CCO)Cc1cc(Br)cs1)C12CCC[NH+](CCC1)C2 ZINC000635853539 565077542 /nfs/dbraw/zinc/07/75/42/565077542.db2.gz RRZURQUVXUEQPN-UHFFFAOYSA-N 1 0 387.343 2.708 20 0 GFADRO C[NH+](C)CC1(C(=O)NCc2cnn(-c3ccc(Br)cc3)c2)CC1 ZINC000635862154 565078230 /nfs/dbraw/zinc/07/82/30/565078230.db2.gz AUUHUJBKCDSNLU-UHFFFAOYSA-N 1 0 377.286 2.593 20 0 GFADRO C[C@H](NC(=O)C[C@H]1CC[N@H+](C)C1)c1ccc(Br)cc1OCCCO ZINC000635949722 565082786 /nfs/dbraw/zinc/08/27/86/565082786.db2.gz BBUSSYLCXVKDJC-UONOGXRCSA-N 1 0 399.329 2.729 20 0 GFADRO CN(Cc1cccc(Br)c1OCC(C)(C)O)C(=O)C1([NH+](C)C)CC1 ZINC000613845385 565083008 /nfs/dbraw/zinc/08/30/08/565083008.db2.gz ZFMVPXFQMAWNIW-UHFFFAOYSA-N 1 0 399.329 2.651 20 0 GFADRO C[C@@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)c1ccc(Br)cc1OCCCO ZINC000635949721 565083299 /nfs/dbraw/zinc/08/32/99/565083299.db2.gz BBUSSYLCXVKDJC-KGLIPLIRSA-N 1 0 399.329 2.729 20 0 GFADRO Cc1nc(-c2cccs2)c(CC(=O)NC[C@H](O)C[NH+]2CCCCC2)s1 ZINC000636047254 565088461 /nfs/dbraw/zinc/08/84/61/565088461.db2.gz PUZPBBIOCYYNTF-AWEZNQCLSA-N 1 0 379.551 2.686 20 0 GFADRO O=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)c1cc(Br)cc2[nH]c(=O)[nH]c21 ZINC000614028556 565091632 /nfs/dbraw/zinc/09/16/32/565091632.db2.gz NDZCJASTILOPND-LBPRGKRZSA-N 1 0 393.285 2.778 20 0 GFADRO C[NH+](C)C[C@]1(O)CCCN(C(=O)c2ccc(Cl)c(Br)c2)C1 ZINC000614067160 565093900 /nfs/dbraw/zinc/09/39/00/565093900.db2.gz OZTXGGSSGKXFAM-OAHLLOKOSA-N 1 0 375.694 2.631 20 0 GFADRO C[C@@H](NC(=O)C(=O)Nc1cc(Cl)c(Cl)cc1F)C1CC[NH+](C)CC1 ZINC000685028889 565094027 /nfs/dbraw/zinc/09/40/27/565094027.db2.gz CDLANXNJYZAZNF-SECBINFHSA-N 1 0 376.259 2.918 20 0 GFADRO C[NH+](C)C[C@]1(O)CCCN(C(=O)CCOc2ccc(Cl)c(Cl)c2)C1 ZINC000614067133 565094498 /nfs/dbraw/zinc/09/44/98/565094498.db2.gz CGPXZMPYHJQTAY-QGZVFWFLSA-N 1 0 375.296 2.677 20 0 GFADRO Cc1c(Br)cncc1C[NH2+]Cc1ccnc(N2CCOCC2)c1 ZINC000657305965 565095902 /nfs/dbraw/zinc/09/59/02/565095902.db2.gz OVMOCPUKCKDDFO-UHFFFAOYSA-N 1 0 377.286 2.674 20 0 GFADRO CN1CCC([NH+]2CCC(NCc3c(F)cncc3Br)CC2)CC1 ZINC000657338406 565097389 /nfs/dbraw/zinc/09/73/89/565097389.db2.gz WWUJMWQATNTUKT-UHFFFAOYSA-N 1 0 385.325 2.631 20 0 GFADRO C[C@@H]1CCN(S(=O)(=O)Cc2cc(Cl)ccc2Br)C[C@@H]1C[NH3+] ZINC000584781089 565097666 /nfs/dbraw/zinc/09/76/66/565097666.db2.gz CVIHYQGBKAAEIL-PWSUYJOCSA-N 1 0 395.750 2.849 20 0 GFADRO Cc1c(Br)cncc1CNc1ccc(N2CC[NH+](C)CC2)cn1 ZINC000657322570 565098021 /nfs/dbraw/zinc/09/80/21/565098021.db2.gz TXBMOTSPLHINEB-UHFFFAOYSA-N 1 0 376.302 2.911 20 0 GFADRO CCCC[N@H+](C)C[C@H](C)NC(=O)C(=O)Nc1ccc(C)cc1Br ZINC000685142165 565098622 /nfs/dbraw/zinc/09/86/22/565098622.db2.gz JFFKODLVFBBFMI-ZDUSSCGKSA-N 1 0 384.318 2.933 20 0 GFADRO CN(Cc1ccccc1Br)C(=O)CC[NH2+]Cc1cnn2c1CCC2 ZINC000657358582 565099505 /nfs/dbraw/zinc/09/95/05/565099505.db2.gz YXGLUZHRMHTILW-UHFFFAOYSA-N 1 0 391.313 2.730 20 0 GFADRO O[C@@H]1CCCC[C@H]1[NH+]1CCC(NCc2c(F)cncc2Br)CC1 ZINC000657401764 565099618 /nfs/dbraw/zinc/09/96/18/565099618.db2.gz XNJHFYNIBXPBOX-IAGOWNOFSA-N 1 0 386.309 2.841 20 0 GFADRO CC[NH+](CC)Cc1ccc(C(=O)N(C)CCn2cc(Br)cn2)o1 ZINC000685300002 565104227 /nfs/dbraw/zinc/10/42/27/565104227.db2.gz GUEGXSPWQNKDPF-UHFFFAOYSA-N 1 0 383.290 2.853 20 0 GFADRO CCOc1cc(C[NH2+]C[C@@H](OC)[C@@H]2CCOC2)cc(Br)c1OC ZINC000657543190 565107161 /nfs/dbraw/zinc/10/71/61/565107161.db2.gz LEBDIKXFGFDBID-CZUORRHYSA-N 1 0 388.302 2.998 20 0 GFADRO COC[C@@H]([NH2+]Cc1cnc2c(C)cc(Br)cn12)C1CCOCC1 ZINC000657565887 565108679 /nfs/dbraw/zinc/10/86/79/565108679.db2.gz VWHRJQVPBDEEMU-MRXNPFEDSA-N 1 0 382.302 2.936 20 0 GFADRO OCCO[C@]1(C[NH2+]Cc2ccc(-c3cccc(Br)c3)o2)CCOC1 ZINC000657595469 565111818 /nfs/dbraw/zinc/11/18/18/565111818.db2.gz AMOUJBCUBFLHPK-SFHVURJKSA-N 1 0 396.281 2.967 20 0 GFADRO C[C@H](NC[C@H](O)C[N@H+](C)C1CC1)c1nc(-c2ccc(Br)cc2)no1 ZINC000685573041 565113039 /nfs/dbraw/zinc/11/30/39/565113039.db2.gz IAGGSDMFGGWPRZ-NHYWBVRUSA-N 1 0 395.301 2.605 20 0 GFADRO O=C(c1cccc(F)c1Br)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000614452149 565113691 /nfs/dbraw/zinc/11/36/91/565113691.db2.gz UFOYPYSUHCXUNK-ZDUSSCGKSA-N 1 0 385.277 2.915 20 0 GFADRO O=C(NC[C@@H]1C[N@@H+]2CCN1CCC2)c1ccc2scc(Br)c2c1 ZINC000614503876 565115973 /nfs/dbraw/zinc/11/59/73/565115973.db2.gz QUMLWJDVPPEZSU-CYBMUJFWSA-N 1 0 394.338 2.784 20 0 GFADRO CC[NH+]1CCC(CNC(=O)NCc2cc3c(c(Br)c2)OCO3)CC1 ZINC000586866511 565120384 /nfs/dbraw/zinc/12/03/84/565120384.db2.gz YALVXBXUJFNHSR-UHFFFAOYSA-N 1 0 398.301 2.709 20 0 GFADRO CC(C)(C)N1C[C@@H](C[NH2+]Cc2cnc3ccc(Br)cn23)CC1=O ZINC000657755035 565127977 /nfs/dbraw/zinc/12/79/77/565127977.db2.gz PCPRFODHEVOSKJ-GFCCVEGCSA-N 1 0 379.302 2.833 20 0 GFADRO O=C(c1cc2ncc(Br)cn2n1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000636897841 565130060 /nfs/dbraw/zinc/13/00/60/565130060.db2.gz SSFHANPWAAXEKS-CQSZACIVSA-N 1 0 392.301 2.582 20 0 GFADRO CN1CCC[C@@H](NC(=O)N[C@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)C1=O ZINC000636906741 565130301 /nfs/dbraw/zinc/13/03/01/565130301.db2.gz RKUNKKQGGCHAFX-HUUCEWRRSA-N 1 0 387.311 2.516 20 0 GFADRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1cc(Br)cc2[nH]c(=O)[nH]c21 ZINC000614724973 565130582 /nfs/dbraw/zinc/13/05/82/565130582.db2.gz OPBLUOQEKWBESX-JQWIXIFHSA-N 1 0 393.285 2.730 20 0 GFADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)Nc1cccc(Br)c1F ZINC000657842807 565131976 /nfs/dbraw/zinc/13/19/76/565131976.db2.gz AJXJYIMUMVLQBM-NSHDSACASA-N 1 0 386.265 2.517 20 0 GFADRO CC(=O)N1CCN(CC[NH2+][C@H](Cc2ccc(Br)cc2)C(C)C)CC1 ZINC000657837045 565132058 /nfs/dbraw/zinc/13/20/58/565132058.db2.gz XPWJJADTJLGJGU-LJQANCHMSA-N 1 0 396.373 2.770 20 0 GFADRO O=C(NC[C@@H]1CCCC[NH2+]1)N[C@@H](CO)c1ccc(Cl)cc1C(F)(F)F ZINC000636988471 565133961 /nfs/dbraw/zinc/13/39/61/565133961.db2.gz JUVLMCYCDLNTNY-FZMZJTMJSA-N 1 0 379.810 2.834 20 0 GFADRO CCN(CC)S(=O)(=O)c1ccc(CC[NH2+][C@@H]2CCCn3nccc32)s1 ZINC000657868649 565134746 /nfs/dbraw/zinc/13/47/46/565134746.db2.gz CJGRNBUQBLHMFZ-OAHLLOKOSA-N 1 0 382.555 2.642 20 0 GFADRO C[C@H]([NH2+]CC1(O)CCS(=O)(=O)CC1)c1ccc(Br)c(Cl)c1 ZINC000657891794 565135716 /nfs/dbraw/zinc/13/57/16/565135716.db2.gz WNQJQTLMHAQDOL-JTQLQIEISA-N 1 0 396.734 2.693 20 0 GFADRO Cn1c(=O)c2ccsc2nc1SC[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000588689587 565138758 /nfs/dbraw/zinc/13/87/58/565138758.db2.gz OXUPQNJVOMDLHF-CQSZACIVSA-N 1 0 375.519 2.580 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)[C@H]1CSCN1C(=O)C1CCCC1)c1ccsc1 ZINC000588750236 565139469 /nfs/dbraw/zinc/13/94/69/565139469.db2.gz JFQSCSLJGSOMPP-HZPDHXFCSA-N 1 0 381.567 2.559 20 0 GFADRO COC[C@@H](OC)C(=O)N(Cc1ccccc1Br)C1CC[NH+](C)CC1 ZINC000614981599 565141755 /nfs/dbraw/zinc/14/17/55/565141755.db2.gz JUCVLDRFDUUXCF-QGZVFWFLSA-N 1 0 399.329 2.533 20 0 GFADRO Cc1nc(C(=O)N2CCC([N@H+]3CCOC[C@@H]3C)CC2)c(Br)s1 ZINC000615085697 565144345 /nfs/dbraw/zinc/14/43/45/565144345.db2.gz ICPCJXAVYKGCAI-JTQLQIEISA-N 1 0 388.331 2.539 20 0 GFADRO CC[C@@H](CNS(C)(=O)=O)[NH2+][C@@H](CC)Cc1ccc(Br)cc1 ZINC000658026343 565146678 /nfs/dbraw/zinc/14/66/78/565146678.db2.gz DMDXPLQGIGMUPC-GJZGRUSLSA-N 1 0 377.348 2.688 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)C(=O)Nc1cc(F)ccc1Br ZINC000658126811 565152307 /nfs/dbraw/zinc/15/23/07/565152307.db2.gz OSPMXRXARSWPGW-LLVKDONJSA-N 1 0 386.265 2.516 20 0 GFADRO OCCO[C@@]1(C[NH2+][C@@H](Cc2ccccc2Br)C2CC2)CCOC1 ZINC000658147272 565152936 /nfs/dbraw/zinc/15/29/36/565152936.db2.gz YEPXIOOMCOVRCD-ZWKOTPCHSA-N 1 0 384.314 2.528 20 0 GFADRO NC(=O)CC[C@H]1CCC[N@H+](C[C@H](O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000589189264 565154326 /nfs/dbraw/zinc/15/43/26/565154326.db2.gz NAHCOYCLOUFPDO-OLZOCXBDSA-N 1 0 375.296 2.711 20 0 GFADRO C[N@@H+]1CCC[C@H]1[C@H]1COCCN1C(=O)CCc1cccc(F)c1Br ZINC000615268208 565155210 /nfs/dbraw/zinc/15/52/10/565155210.db2.gz URZODHWGZGIWCK-JKSUJKDBSA-N 1 0 399.304 2.842 20 0 GFADRO COc1ccc(NC(=O)NCC(C)(C)N2CC[NH+](C)CC2)c(Br)c1 ZINC000589201299 565155459 /nfs/dbraw/zinc/15/54/59/565155459.db2.gz CHRZPHJSFAPHJT-UHFFFAOYSA-N 1 0 399.333 2.605 20 0 GFADRO C[NH+](C)C[C@H]1CCN(C(=O)NCc2cc(F)c(Br)cc2F)C1 ZINC000637425868 565156132 /nfs/dbraw/zinc/15/61/32/565156132.db2.gz WATUNMJHNJEJMX-SNVBAGLBSA-N 1 0 376.245 2.820 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2cccc(Br)c2F)C1 ZINC000658264624 565157620 /nfs/dbraw/zinc/15/76/20/565157620.db2.gz KVNJYQZSDILNOV-JTQLQIEISA-N 1 0 386.265 2.516 20 0 GFADRO COc1ccc(CCC(=O)Nc2ccnn2CC[NH+](C)C)c(Br)c1 ZINC000615377764 565158734 /nfs/dbraw/zinc/15/87/34/565158734.db2.gz UDMWQGNGRSBZBA-UHFFFAOYSA-N 1 0 395.301 2.787 20 0 GFADRO O=C(CCNC(=O)[C@H]1CCc2nc[nH]c2C1)Nc1cc(Cl)cc(Cl)c1 ZINC000615375185 565158775 /nfs/dbraw/zinc/15/87/75/565158775.db2.gz SYJKSMFEFAFBEK-JTQLQIEISA-N 1 0 381.263 2.966 20 0 GFADRO CC(=O)N[C@H]1CCN(C(=O)N[C@@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)C1 ZINC000637471630 565158974 /nfs/dbraw/zinc/15/89/74/565158974.db2.gz AQPCDVQSCIUDAN-BBRMVZONSA-N 1 0 387.311 2.516 20 0 GFADRO O=C(NCc1csc(C(F)(F)F)c1)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000637526715 565159634 /nfs/dbraw/zinc/15/96/34/565159634.db2.gz MDCKRHIVIPAULB-CYBMUJFWSA-N 1 0 377.432 2.508 20 0 GFADRO C[C@@H]1CN(C(=O)c2cc(Br)cc3[nH]c(=O)[nH]c32)CC[N@@H+](C2CC2)C1 ZINC000615447461 565161612 /nfs/dbraw/zinc/16/16/12/565161612.db2.gz KQIGHNFYSAEWED-JTQLQIEISA-N 1 0 393.285 2.587 20 0 GFADRO Cn1ncc(Br)c1C(=O)N1CCC2(CCC([NH+](C)C)CC2)CC1 ZINC000615437744 565161843 /nfs/dbraw/zinc/16/18/43/565161843.db2.gz KIAWWQXLIXIMAO-UHFFFAOYSA-N 1 0 383.334 2.909 20 0 GFADRO O=C(NCc1ccsc1C(F)(F)F)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000637594594 565163299 /nfs/dbraw/zinc/16/32/99/565163299.db2.gz JXVBSUNWTKFIEN-GFCCVEGCSA-N 1 0 377.432 2.631 20 0 GFADRO [NH3+]CC[C@@H]1CCCCN1S(=O)(=O)Cc1cc(F)ccc1Br ZINC000658378933 565164535 /nfs/dbraw/zinc/16/45/35/565164535.db2.gz CQZXKXAPWJRPKV-ZDUSSCGKSA-N 1 0 379.295 2.621 20 0 GFADRO [NH3+]CC[C@H]1CCCCN1S(=O)(=O)c1cc(Cl)cc(Br)c1 ZINC000658379201 565164836 /nfs/dbraw/zinc/16/48/36/565164836.db2.gz IWFIQOKXGCKEGO-GFCCVEGCSA-N 1 0 381.723 2.995 20 0 GFADRO C[C@@H]1C[C@@H](C)N(S(=O)(=O)Cc2cc(F)ccc2Br)C[C@H]1C[NH3+] ZINC000658382761 565166060 /nfs/dbraw/zinc/16/60/60/565166060.db2.gz GVSGEIHXGGPBQV-NQBHXWOUSA-N 1 0 393.322 2.723 20 0 GFADRO O=S(=O)(c1c[nH]c2nccc(Cl)c12)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000658386130 565167140 /nfs/dbraw/zinc/16/71/40/565167140.db2.gz ZOHWMUMLYINTGQ-CYBMUJFWSA-N 1 0 382.917 2.617 20 0 GFADRO Cc1nc2ccc(Br)cn2c1C(=O)N1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000615602087 565168096 /nfs/dbraw/zinc/16/80/96/565168096.db2.gz KDQLQKSKISJNEE-SFHVURJKSA-N 1 0 391.313 2.963 20 0 GFADRO CC(C)(Oc1ccc(Br)cc1)C(=O)NC[C@H]1CCCC[N@@H+]1CCO ZINC000615656923 565168670 /nfs/dbraw/zinc/16/86/70/565168670.db2.gz JMARHVROWDWBFS-OAHLLOKOSA-N 1 0 399.329 2.570 20 0 GFADRO C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)COc1ccc(F)cc1Br)C2 ZINC000615626034 565169314 /nfs/dbraw/zinc/16/93/14/565169314.db2.gz KHUBOVHSDNJPNR-QGZVFWFLSA-N 1 0 385.277 2.911 20 0 GFADRO O=C(NCC[C@@H]1CCC[NH2+]C1)N1CCO[C@@H](c2cccc(Br)c2)C1 ZINC000637770961 565171998 /nfs/dbraw/zinc/17/19/98/565171998.db2.gz GPGGJULNFMZKEE-WMLDXEAASA-N 1 0 396.329 2.922 20 0 GFADRO C[C@H](CNC(=O)[C@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1)[N@H+](C)C1CC1 ZINC000589965211 565175286 /nfs/dbraw/zinc/17/52/86/565175286.db2.gz CHHPGQAFFUNHFC-NEPJUHHUSA-N 1 0 384.307 2.945 20 0 GFADRO COc1nsc(CN2CCC[N@H+](C[C@H]3CCCO3)CC2)c1Br ZINC000637895207 565176058 /nfs/dbraw/zinc/17/60/58/565176058.db2.gz CXBDYRAGYVRCCL-GFCCVEGCSA-N 1 0 390.347 2.601 20 0 GFADRO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)c2cc(Cl)ccc2I)C1 ZINC000590043597 565176772 /nfs/dbraw/zinc/17/67/72/565176772.db2.gz BQCIKKXVBBFNED-ZANVPECISA-N 1 0 390.652 2.721 20 0 GFADRO [NH3+][C@H]1CC=C(C(=O)N2CCC(C(=O)Nc3ccccc3Br)CC2)C1 ZINC000637973588 565179221 /nfs/dbraw/zinc/17/92/21/565179221.db2.gz LGHFZILQBWDGJE-AWEZNQCLSA-N 1 0 392.297 2.674 20 0 GFADRO CC(C)[N@@H+]1CCCN(C(=O)NCCOc2cccc(Br)c2)CC1 ZINC000590160948 565180021 /nfs/dbraw/zinc/18/00/21/565180021.db2.gz HDGWYEOXQNKJHZ-UHFFFAOYSA-N 1 0 384.318 2.954 20 0 GFADRO Brc1cnc2c(CN3CCCC[C@H]([NH+]4CCCC4)C3)cnn2c1 ZINC000637995467 565180471 /nfs/dbraw/zinc/18/04/71/565180471.db2.gz DEPXQMJGDWDPLW-INIZCTEOSA-N 1 0 378.318 2.942 20 0 GFADRO O=C(Nc1ccccc1Br)C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000658646210 565180518 /nfs/dbraw/zinc/18/05/18/565180518.db2.gz ACPLOEIYKGCJPO-CYBMUJFWSA-N 1 0 394.313 2.911 20 0 GFADRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C(=O)NCc2ccc(Cl)c(Cl)c2)C1 ZINC000658644132 565180605 /nfs/dbraw/zinc/18/06/05/565180605.db2.gz MKRMQQUJIKURCC-BBRMVZONSA-N 1 0 384.307 2.552 20 0 GFADRO C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)NCc3ccc(Cl)c(Cl)c3)CC[C@H]21 ZINC000658705400 565184039 /nfs/dbraw/zinc/18/40/39/565184039.db2.gz GAMIJPIVRKSMJT-XJKSGUPXSA-N 1 0 384.307 2.552 20 0 GFADRO Cc1csc(C(=O)N2CC[C@@H]([NH+](C)C)[C@H]2C)c1I ZINC000590403682 565186764 /nfs/dbraw/zinc/18/67/64/565186764.db2.gz MLPWWUMUGFOIKA-NXEZZACHSA-N 1 0 378.279 2.826 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)c3ccc4cncc(Br)c4n3)C[C@@H]21 ZINC000638164292 565187741 /nfs/dbraw/zinc/18/77/41/565187741.db2.gz KKPOFSSDNGAQQV-MBNYWOFBSA-N 1 0 375.270 2.592 20 0 GFADRO CCC[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2cc(Cl)c(OCC)c(Cl)c2)C1 ZINC000658779365 565188540 /nfs/dbraw/zinc/18/85/40/565188540.db2.gz UFTLMJBQMSLHFK-NSHDSACASA-N 1 0 388.295 2.931 20 0 GFADRO COCC1(CNC(=O)[C@@H]2C[C@]2(C)c2cccc(Br)c2)CC[NH2+]CC1 ZINC000638224421 565188672 /nfs/dbraw/zinc/18/86/72/565188672.db2.gz IXXSHVXKDZDFQF-FUHWJXTLSA-N 1 0 395.341 2.859 20 0 GFADRO CC[NH+](CC)CCOc1ccccc1NCc1ccc(S(N)(=O)=O)s1 ZINC000638221154 565189015 /nfs/dbraw/zinc/18/90/15/565189015.db2.gz URSXTMASGKDQQQ-UHFFFAOYSA-N 1 0 383.539 2.728 20 0 GFADRO COc1ccc(Br)c(CNC(=O)NCC[NH+]2CCC(C)CC2)c1 ZINC000616079745 565189402 /nfs/dbraw/zinc/18/94/02/565189402.db2.gz LIHKXOPFGFSELA-UHFFFAOYSA-N 1 0 384.318 2.989 20 0 GFADRO CN1CC[C@@H]([NH2+]CCNC(=O)C2CC2)C[C@H]1c1ccc(Br)cc1 ZINC000638296043 565191044 /nfs/dbraw/zinc/19/10/44/565191044.db2.gz DFGFWKVQGXGELS-SJORKVTESA-N 1 0 380.330 2.700 20 0 GFADRO CN1CC[C@H]([NH2+]CCNC(=O)C2CC2)C[C@@H]1c1ccc(Br)cc1 ZINC000638296040 565191055 /nfs/dbraw/zinc/19/10/55/565191055.db2.gz DFGFWKVQGXGELS-DLBZAZTESA-N 1 0 380.330 2.700 20 0 GFADRO CO[C@H]1C[NH2+][C@](C)(C(=O)N2CCC(c3ccccc3Br)CC2)C1 ZINC000638304932 565191351 /nfs/dbraw/zinc/19/13/51/565191351.db2.gz NGOGMADJZZWRRY-KDOFPFPSSA-N 1 0 381.314 2.922 20 0 GFADRO CO[C@H]1C[NH2+][C@@](C)(C(=O)N2CCC(c3ccc(Br)cc3)CC2)C1 ZINC000638300179 565191530 /nfs/dbraw/zinc/19/15/30/565191530.db2.gz NHOJDFJEVYXEJV-SJLPKXTDSA-N 1 0 381.314 2.922 20 0 GFADRO O=C(c1ccc2cncc(Br)c2n1)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000638330703 565192308 /nfs/dbraw/zinc/19/23/08/565192308.db2.gz SNTMFKGRVQWXOR-BLLLJJGKSA-N 1 0 389.297 2.997 20 0 GFADRO O=C(c1cc(Br)c2nccn2c1)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000638329852 565193026 /nfs/dbraw/zinc/19/30/26/565193026.db2.gz PTHDVKXXHVHTGH-WFASDCNBSA-N 1 0 377.286 2.701 20 0 GFADRO COCC[NH2+]C1CCN(C(=O)[C@@H]2[C@@H]3Cc4c(cccc4Br)[C@@H]32)CC1 ZINC000638387661 565193504 /nfs/dbraw/zinc/19/35/04/565193504.db2.gz YDSFIVUHBHCLPA-BPQIPLTHSA-N 1 0 393.325 2.562 20 0 GFADRO COCC[NH2+]C1CCN(C(=O)c2ccc(Br)c(F)c2F)CC1 ZINC000638387598 565194153 /nfs/dbraw/zinc/19/41/53/565194153.db2.gz XSOMFWNTXDNGRR-UHFFFAOYSA-N 1 0 377.229 2.568 20 0 GFADRO O=C(Nc1ccc([C@@H]2C[NH2+]CCO2)cc1)c1c(F)cncc1Br ZINC000638418046 565195096 /nfs/dbraw/zinc/19/50/96/565195096.db2.gz LIUHHZYPKQSCHA-AWEZNQCLSA-N 1 0 380.217 2.896 20 0 GFADRO O=C(c1cc(Br)cc2c1OCCO2)N1CC[NH2+]C2(CCCCC2)C1 ZINC000658933114 565195505 /nfs/dbraw/zinc/19/55/05/565195505.db2.gz ZKJMHBAQBLGVIQ-UHFFFAOYSA-N 1 0 395.297 2.969 20 0 GFADRO C[C@H](CCc1ccc(Br)cc1)[NH2+]Cc1ccc(S(N)(=O)=O)o1 ZINC000638407524 565195609 /nfs/dbraw/zinc/19/56/09/565195609.db2.gz QRSIONLNRYBPKS-LLVKDONJSA-N 1 0 387.299 2.800 20 0 GFADRO Nc1c(Cl)cc(Cl)cc1C[NH2+]C[C@]1(N2CCOCC2)CCSC1 ZINC000638409738 565195665 /nfs/dbraw/zinc/19/56/65/565195665.db2.gz RBDBLPOSCSUOHQ-MRXNPFEDSA-N 1 0 376.353 2.873 20 0 GFADRO O=C(c1[nH]nc(C2CC2)c1Br)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000658957814 565195969 /nfs/dbraw/zinc/19/59/69/565195969.db2.gz MBWVXOYPNAQKPU-CYBMUJFWSA-N 1 0 381.318 2.901 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+][C@@H]2CCc3cc(Br)ccc32)s1 ZINC000638425005 565196331 /nfs/dbraw/zinc/19/63/31/565196331.db2.gz NRWOUAYLOPOGDR-CYBMUJFWSA-N 1 0 387.324 2.935 20 0 GFADRO Cn1cc(Br)cc1C(=O)N1CC[C@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000658948083 565196300 /nfs/dbraw/zinc/19/63/00/565196300.db2.gz PAEATKNVCAXTAO-HUUCEWRRSA-N 1 0 380.261 2.884 20 0 GFADRO [NH3+][C@@H]1CN(C(=O)c2scc(Br)c2Br)CC[C@H]1F ZINC000638432701 565196681 /nfs/dbraw/zinc/19/66/81/565196681.db2.gz ZYCZWELWHUGYPN-RNFRBKRXSA-N 1 0 386.084 2.784 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+]C[C@@H]2CCN(c3ccc(Cl)cc3)C2)cc1 ZINC000638456820 565197014 /nfs/dbraw/zinc/19/70/14/565197014.db2.gz PAFZJOQHKFCYLV-HNNXBMFYSA-N 1 0 379.913 2.604 20 0 GFADRO CO[C@H](C[NH2+]CCCNC(=O)c1cccc(Br)c1)C1CCOCC1 ZINC000638476905 565197633 /nfs/dbraw/zinc/19/76/33/565197633.db2.gz PZOJOYBVPXTQOF-QGZVFWFLSA-N 1 0 399.329 2.600 20 0 GFADRO O=C(N[C@@H]1CC[NH2+]C12CCC2)[C@@H]1CCN(c2cc(Cl)ccc2Cl)C1=O ZINC000638505837 565199349 /nfs/dbraw/zinc/19/93/49/565199349.db2.gz XRLCMKFUIKYUES-SWLSCSKDSA-N 1 0 382.291 2.747 20 0 GFADRO CC[C@H](Cc1ccc(Br)cc1)NC(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000659026208 565199469 /nfs/dbraw/zinc/19/94/69/565199469.db2.gz ZKUCYEBLMHNCAQ-VXGBXAGGSA-N 1 0 382.224 2.959 20 0 GFADRO CCN(CC[NH3+])C(=O)c1cccc(NC(=O)c2ccc(Br)o2)c1 ZINC000638520035 565200187 /nfs/dbraw/zinc/20/01/87/565200187.db2.gz CVEQGGIBYDBUST-UHFFFAOYSA-N 1 0 380.242 2.715 20 0 GFADRO CCn1cnc(C(=O)Nc2cc(Br)ccc2N(C)CC[NH+](C)C)c1 ZINC000616422870 565201090 /nfs/dbraw/zinc/20/10/90/565201090.db2.gz NNEPPNDSZDJXBO-UHFFFAOYSA-N 1 0 394.317 2.916 20 0 GFADRO COC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)C(=O)N(C)Cc1ccc(Br)cc1 ZINC000590753331 565201102 /nfs/dbraw/zinc/20/11/02/565201102.db2.gz NEVXWNNEBRARMC-MAZHCROVSA-N 1 0 397.313 2.727 20 0 GFADRO [NH3+]C1(CNC(=O)C(=O)Nc2cc(Br)c(F)cc2Cl)CCCC1 ZINC000659098180 565201373 /nfs/dbraw/zinc/20/13/73/565201373.db2.gz DWYYIYMKNCIGRC-UHFFFAOYSA-N 1 0 392.656 2.568 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)[C@H](C[C@H]2CCCO2)C(F)(F)F)CC[C@@H]1C(F)(F)F ZINC000638558165 565202627 /nfs/dbraw/zinc/20/26/27/565202627.db2.gz OAYCEZGOOFUFLL-WYUUTHIRSA-N 1 0 376.341 2.720 20 0 GFADRO CN1CC[C@H]([NH2+]C[C@H](O)C2CCOCC2)C[C@H]1c1ccc(Br)cc1 ZINC000638628940 565205324 /nfs/dbraw/zinc/20/53/24/565205324.db2.gz DHXDLYOZFLMENL-FHWLQOOXSA-N 1 0 397.357 2.962 20 0 GFADRO [NH3+]CCCOCCNC(=O)c1ccc(COc2cccc(Br)c2)o1 ZINC000638657582 565205728 /nfs/dbraw/zinc/20/57/28/565205728.db2.gz MUTCYWJLENTLLE-UHFFFAOYSA-N 1 0 397.269 2.716 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+]CCc2ccccc2OC(F)(F)F)s1 ZINC000638745384 565209146 /nfs/dbraw/zinc/20/91/46/565209146.db2.gz SYGVPKVCQKWSAF-UHFFFAOYSA-N 1 0 380.413 2.626 20 0 GFADRO Cc1ccc(Br)c(C(=O)N2CCC(CO[C@@H]3CC[NH2+]C3)CC2)c1 ZINC000638784870 565211662 /nfs/dbraw/zinc/21/16/62/565211662.db2.gz KNIAJNFPFVKXSH-OAHLLOKOSA-N 1 0 381.314 2.988 20 0 GFADRO C[C@H]1C[C@@H](C(=O)N(C)C[C@H](O)COc2cc(Cl)cc(Cl)c2)CC[NH2+]1 ZINC000638827357 565213049 /nfs/dbraw/zinc/21/30/49/565213049.db2.gz HTUNCEKMIRWLNB-HUBLWGQQSA-N 1 0 375.296 2.580 20 0 GFADRO O=C([C@@H]1C[C@]12CCC[NH2+]C2)N1CCOC[C@H]1c1ccc(Br)cc1 ZINC000659357995 565214666 /nfs/dbraw/zinc/21/46/66/565214666.db2.gz FHEZKIHOTYBHCF-BQFCYCMXSA-N 1 0 379.298 2.739 20 0 GFADRO CN1CC[C@H]([NH2+][C@@H]2CC(=O)N(C3CC3)C2)C[C@@H]1c1ccc(Br)cc1 ZINC000638897260 565217295 /nfs/dbraw/zinc/21/72/95/565217295.db2.gz DWNSZWSOWXWSDN-LZLYRXPVSA-N 1 0 392.341 2.937 20 0 GFADRO [NH3+]C1(CNC(=O)N[C@H]2CCN(c3ccc(Br)cc3)C2)CCCC1 ZINC000659449277 565217984 /nfs/dbraw/zinc/21/79/84/565217984.db2.gz BZUYEEBQBNNQDS-AWEZNQCLSA-N 1 0 381.318 2.599 20 0 GFADRO Cc1cc(COc2ccc(C(=O)N3C[C@H]([NH3+])C[C@H]3C)cc2Br)on1 ZINC000638940091 565217840 /nfs/dbraw/zinc/21/78/40/565217840.db2.gz UDAFLOXDOAIQPJ-DGCLKSJQSA-N 1 0 394.269 2.886 20 0 GFADRO CC(C)[C@H]([NH3+])CCNC(=O)N[C@H]1CCN(c2ccccc2Br)C1 ZINC000659453708 565218041 /nfs/dbraw/zinc/21/80/41/565218041.db2.gz OTWLRCTXAIQGJR-DZGCQCFKSA-N 1 0 383.334 2.700 20 0 GFADRO C[C@@H]1C[C@H]([NH3+])CN1C(=O)c1nn(-c2cccc(Br)c2)c2c1CCC2 ZINC000638936488 565218308 /nfs/dbraw/zinc/21/83/08/565218308.db2.gz PUIIMHWLYLYLMS-YPMHNXCESA-N 1 0 389.297 2.685 20 0 GFADRO O=C(NCC1CC[NH2+]CC1)N1CCOC[C@@H]1c1ccc(Br)cc1 ZINC000659507576 565218647 /nfs/dbraw/zinc/21/86/47/565218647.db2.gz KVVRHWCQYFRGAP-MRXNPFEDSA-N 1 0 382.302 2.532 20 0 GFADRO [NH3+]CC12CC(C1)CN2C(=O)N[C@H]1C[C@H](c2ccc(F)c(Br)c2)C1 ZINC000659490444 565218726 /nfs/dbraw/zinc/21/87/26/565218726.db2.gz YLHIELUATUQQQV-DJENMIJASA-N 1 0 382.277 2.967 20 0 GFADRO CCO[C@H]1C[C@]([NH3+])(C(=O)N[C@@H]2[C@H]3Cc4cc(Br)ccc4[C@@H]23)C1(C)C ZINC000638942208 565218913 /nfs/dbraw/zinc/21/89/13/565218913.db2.gz FBLXKRGHZAPXPA-DBDOFBCQSA-N 1 0 393.325 2.736 20 0 GFADRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)N1CCOc2cc(Br)ccc2C1 ZINC000659525159 565218987 /nfs/dbraw/zinc/21/89/87/565218987.db2.gz WGNNTNDGXKWMIH-WFASDCNBSA-N 1 0 382.302 2.871 20 0 GFADRO O=C(N[C@H]1CCC[NH2+]CC1)N1CCOC[C@H]1c1ccc(Br)cc1 ZINC000659537542 565220039 /nfs/dbraw/zinc/22/00/39/565220039.db2.gz SJKWLODBTLZWHC-HOTGVXAUSA-N 1 0 382.302 2.674 20 0 GFADRO C[C@H]([NH3+])CNC(=O)N1CCc2cc(Br)c(Br)cc2C1 ZINC000659535608 565220535 /nfs/dbraw/zinc/22/05/35/565220535.db2.gz BAMBTLWYXDVJBZ-QMMMGPOBSA-N 1 0 391.107 2.627 20 0 GFADRO C[NH2+]C[C@@H]1CCCN1C(=O)Nc1cc(C(=O)OC)c(F)cc1Br ZINC000591287231 565220947 /nfs/dbraw/zinc/22/09/47/565220947.db2.gz FLHQJTXNZKPZSW-VIFPVBQESA-N 1 0 388.237 2.591 20 0 GFADRO C[C@@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000659633720 565221042 /nfs/dbraw/zinc/22/10/42/565221042.db2.gz WYQIZJUCKJYCEZ-VIFPVBQESA-N 1 0 384.267 2.850 20 0 GFADRO Cc1cc(I)ccc1NC(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000591271913 565221139 /nfs/dbraw/zinc/22/11/39/565221139.db2.gz DALQZULZGUHKGK-SMDDNHRTSA-N 1 0 385.249 2.815 20 0 GFADRO Cc1cc(C(=O)N[C@H]2CC[C@H]([NH3+])CC2)nn1-c1ccc(Br)cc1 ZINC000639030828 565222090 /nfs/dbraw/zinc/22/20/90/565222090.db2.gz MZGKOYDJFBXKTI-HDJSIYSDSA-N 1 0 377.286 2.943 20 0 GFADRO CO[C@@H](C[NH2+]Cc1cn2cc(Br)cc(C)c2n1)C1CCOCC1 ZINC000639059865 565223324 /nfs/dbraw/zinc/22/33/24/565223324.db2.gz JTFJJMCTSWKQSV-INIZCTEOSA-N 1 0 382.302 2.936 20 0 GFADRO COc1cc(I)ccc1NC(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000591308189 565223631 /nfs/dbraw/zinc/22/36/31/565223631.db2.gz LKYDDQAGVJTJGT-NSHDSACASA-N 1 0 389.237 2.563 20 0 GFADRO CN1CC[C@H]([NH2+]C[C@@H]2CCCC(=O)N2)C[C@@H]1c1ccc(Br)cc1 ZINC000639114217 565225589 /nfs/dbraw/zinc/22/55/89/565225589.db2.gz ASIAQDMZOMQYLG-YESZJQIVSA-N 1 0 380.330 2.843 20 0 GFADRO COc1nsc(CN2CC[N@@H+](C3CCOCC3)C[C@H]2C)c1Br ZINC000639113662 565225757 /nfs/dbraw/zinc/22/57/57/565225757.db2.gz QUEFWRZYMWSKEP-LLVKDONJSA-N 1 0 390.347 2.599 20 0 GFADRO [NH3+]C/C=C\CNC(=O)N1CCC[C@@H]1c1ccc(I)cc1 ZINC000591361047 565227299 /nfs/dbraw/zinc/22/72/99/565227299.db2.gz YTMFASQZCWXEJO-DDGIKZQJSA-N 1 0 385.249 2.653 20 0 GFADRO CCC[NH2+]CCNC(=O)N1CCc2[nH]c3ccc(Br)cc3c2C1 ZINC000639154277 565228264 /nfs/dbraw/zinc/22/82/64/565228264.db2.gz VNJPGRMWPPECHS-UHFFFAOYSA-N 1 0 379.302 2.998 20 0 GFADRO C[N@@H+]1CCC[C@@H]1CNC(=O)Nc1nnc(SCc2ccc(F)cc2)s1 ZINC000591479096 565232448 /nfs/dbraw/zinc/23/24/48/565232448.db2.gz LYJBFYMYGWCRKI-CYBMUJFWSA-N 1 0 381.502 3.185 20 0 GFADRO C[N@H+](Cc1coc(S(N)(=O)=O)c1)CC1(c2ccc(Br)cc2)CC1 ZINC000659948503 565233615 /nfs/dbraw/zinc/23/36/15/565233615.db2.gz TYRNNEONKWQIKW-UHFFFAOYSA-N 1 0 399.310 2.853 20 0 GFADRO Cc1cccc(S(=O)(=O)N2CCCC[C@@H]2C[NH+](C)C)c1Br ZINC000660008389 565237661 /nfs/dbraw/zinc/23/76/61/565237661.db2.gz ANADPPOFXHHDFG-CYBMUJFWSA-N 1 0 375.332 2.862 20 0 GFADRO Cc1cc(NC(=O)CNC2CC[NH+](CC(C)(C)O)CC2)ccc1Br ZINC000639275271 565237894 /nfs/dbraw/zinc/23/78/94/565237894.db2.gz OPCDBUJNGQFBFB-UHFFFAOYSA-N 1 0 398.345 2.521 20 0 GFADRO Cc1cc([C@@H]2CC[N@H+](Cc3ccc(S(N)(=O)=O)cc3)C2)c(O)cc1Cl ZINC000639324186 565238981 /nfs/dbraw/zinc/23/89/81/565238981.db2.gz FJLWQBDGBVKPCL-CQSZACIVSA-N 1 0 380.897 2.991 20 0 GFADRO CC[C@H](Cc1ccc(Br)cc1)[NH2+]Cc1ccc(S(N)(=O)=O)o1 ZINC000639336635 565240529 /nfs/dbraw/zinc/24/05/29/565240529.db2.gz XTAHOOIGIIONPS-CYBMUJFWSA-N 1 0 387.299 2.800 20 0 GFADRO CCC[N@@H+]1CC[C@H](NS(=O)(=O)c2cccc(Cl)c2Br)C1 ZINC000660028548 565240697 /nfs/dbraw/zinc/24/06/97/565240697.db2.gz WNPXKVWSWJNSGS-JTQLQIEISA-N 1 0 381.723 2.865 20 0 GFADRO O=C(Nc1nnc(-c2cc(Cl)cc(Cl)c2)s1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000617502695 565242284 /nfs/dbraw/zinc/24/22/84/565242284.db2.gz YYINVFVNYYSSBJ-CYBMUJFWSA-N 1 0 398.319 2.840 20 0 GFADRO CO[C@H](C[N@H+](C)C[C@H](O)COc1cc(Cl)cc(Cl)c1)[C@@H]1CCOC1 ZINC000639359202 565242630 /nfs/dbraw/zinc/24/26/30/565242630.db2.gz BDADZXZIOMQLFN-ISTRZQFTSA-N 1 0 378.296 2.716 20 0 GFADRO Cc1ncc(CNC(=O)CC[NH2+][C@@H](C)c2ccc(Br)cn2)s1 ZINC000639620135 565252111 /nfs/dbraw/zinc/25/21/11/565252111.db2.gz ZJXQIQFDQIYZQZ-JTQLQIEISA-N 1 0 383.315 2.966 20 0 GFADRO C[C@@H]1C[C@H](N2CCOCC2)C[N@@H+]1C[C@H](O)COc1cc(Cl)cc(Cl)c1 ZINC000639642663 565253821 /nfs/dbraw/zinc/25/38/21/565253821.db2.gz UKWVEJJSHDKNDE-COXVUDFISA-N 1 0 389.323 2.528 20 0 GFADRO CN(CCC[NH+](C)C)CCNC(=O)Cc1c(Cl)cccc1Br ZINC000617763141 565256953 /nfs/dbraw/zinc/25/69/53/565256953.db2.gz GPXWMMNNCSQFSN-UHFFFAOYSA-N 1 0 390.753 2.645 20 0 GFADRO C[C@H](Oc1cccc(Cl)c1Cl)C(=O)NCCN(C)CCC[NH+](C)C ZINC000617767228 565257864 /nfs/dbraw/zinc/25/78/64/565257864.db2.gz LKWZLALPNKJBCK-ZDUSSCGKSA-N 1 0 376.328 2.760 20 0 GFADRO C[C@@H]1CCCN1C(=O)CC[N@@H+]1CC[C@H](Oc2cncc(Br)c2)C1 ZINC000639771182 565259371 /nfs/dbraw/zinc/25/93/71/565259371.db2.gz BNNPJTMXIHCUGV-HIFRSBDPSA-N 1 0 382.302 2.698 20 0 GFADRO NC(=O)c1ccc(C[N@@H+]2CC[C@H](Oc3cncc(Br)c3)C2)cc1 ZINC000639772237 565259845 /nfs/dbraw/zinc/25/98/45/565259845.db2.gz IMPPNHFZCJEYSQ-HNNXBMFYSA-N 1 0 376.254 2.596 20 0 GFADRO CNC(=O)c1ccc(C[N@@H+]2CC[C@@H](Oc3cncc(Br)c3)C2)cc1 ZINC000639773930 565260474 /nfs/dbraw/zinc/26/04/74/565260474.db2.gz RKKQXCUWHGVHHB-MRXNPFEDSA-N 1 0 390.281 2.857 20 0 GFADRO CN(CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)Cc1ccns1 ZINC000639789128 565262233 /nfs/dbraw/zinc/26/22/33/565262233.db2.gz LJKNZMPSOPSYTB-UHFFFAOYSA-N 1 0 376.551 2.762 20 0 GFADRO CCO[C@@H]1C[C@@H]([NH2+]CC(=O)N(Cc2ccco2)CC(F)(F)F)[C@@H]1SC ZINC000592170038 565262408 /nfs/dbraw/zinc/26/24/08/565262408.db2.gz TWFSETVCPFZWHI-NFAWXSAZSA-N 1 0 380.432 2.669 20 0 GFADRO Cn1cc(NC(=O)N2CCC(C)([NH+]3CCCC3)CC2)cc(Br)c1=O ZINC000639811167 565263820 /nfs/dbraw/zinc/26/38/20/565263820.db2.gz UTFUTCUMQZDBRG-UHFFFAOYSA-N 1 0 397.317 2.630 20 0 GFADRO CSCCNC(=O)C(=O)Nc1ccc(SCC[NH+]2CCCCC2)cc1 ZINC000592286134 565267511 /nfs/dbraw/zinc/26/75/11/565267511.db2.gz KJNCSPCUFTWKNN-UHFFFAOYSA-N 1 0 381.567 2.682 20 0 GFADRO C[C@@H](CCC[NH3+])NC(=O)c1cccn1-c1ccc(I)cc1 ZINC000592337644 565270267 /nfs/dbraw/zinc/27/02/67/565270267.db2.gz OJNZKOLYKBFNRM-LBPRGKRZSA-N 1 0 397.260 2.939 20 0 GFADRO C[C@@H]1C[C@H](C)C[N@@H+](CCN2CCN(c3nnc(C(F)(F)F)s3)CC2)C1 ZINC000660323867 565271049 /nfs/dbraw/zinc/27/10/49/565271049.db2.gz FNDBOTSSPMHNNP-BETUJISGSA-N 1 0 377.480 2.657 20 0 GFADRO Ic1ccccc1OCCc1nc([C@@H]2CCC[NH2+]2)no1 ZINC000592356860 565271191 /nfs/dbraw/zinc/27/11/91/565271191.db2.gz IOYZJDBSDFVZBB-NSHDSACASA-N 1 0 385.205 2.720 20 0 GFADRO C[C@@H](NC(=O)c1ccc(Br)cc1I)[C@H](C)[NH3+] ZINC000592340043 565271282 /nfs/dbraw/zinc/27/12/82/565271282.db2.gz YXJPIMJAAODPMN-NKWVEPMBSA-N 1 0 397.054 2.519 20 0 GFADRO CO[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+][C@@H]1CCC[C@H]1c1ccccc1C(F)(F)F ZINC000660373367 565272077 /nfs/dbraw/zinc/27/20/77/565272077.db2.gz QJHKIZCHWMRNQL-DRPJVOAASA-N 1 0 377.428 2.743 20 0 GFADRO CC[N@@H+](Cc1cccc(Br)c1)C[C@H](O)CN1C[C@H](C)O[C@@H](C)C1 ZINC000592390237 565273404 /nfs/dbraw/zinc/27/34/04/565273404.db2.gz ZZMGLTJEQYTWRF-MPGHIAIKSA-N 1 0 385.346 2.741 20 0 GFADRO C[NH+](C)[C@@H]1CCCN(CC(=O)c2c[nH]c3ncc(Br)cc23)CC1 ZINC000660416200 565275288 /nfs/dbraw/zinc/27/52/88/565275288.db2.gz OOXZIXSHQZIVLN-CYBMUJFWSA-N 1 0 379.302 2.924 20 0 GFADRO COC[C@@H](C[NH2+][C@H](CO)c1ccc(Br)cc1C(F)(F)F)OC ZINC000660460818 565276678 /nfs/dbraw/zinc/27/66/78/565276678.db2.gz ILVBHCCQFVLVQE-ZWNOBZJWSA-N 1 0 386.208 2.752 20 0 GFADRO C[C@@H](Cc1ccccc1Br)NC(=O)c1cnn2c1[C@H](C[NH3+])CCC2 ZINC000592539309 565281001 /nfs/dbraw/zinc/28/10/01/565281001.db2.gz LIPXGOMXNKMQPX-JSGCOSHPSA-N 1 0 391.313 2.843 20 0 GFADRO COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)[C@H](C)Sc1cc(Cl)ccc1Cl ZINC000592550020 565282211 /nfs/dbraw/zinc/28/22/11/565282211.db2.gz CRDQZLIZMRHABQ-GWCFXTLKSA-N 1 0 391.320 2.838 20 0 GFADRO C[C@H]1CN(C(=O)Nc2cscc2Br)CC[N@@H+]1CC(C)(C)O ZINC000640188080 565286396 /nfs/dbraw/zinc/28/63/96/565286396.db2.gz PLKWFPHLBPHFIV-JTQLQIEISA-N 1 0 376.320 2.820 20 0 GFADRO CS(=O)(=O)c1ccc(-c2nc(C[NH2+]C3(CCO)CCCC3)cs2)cc1 ZINC000660678857 565287994 /nfs/dbraw/zinc/28/79/94/565287994.db2.gz TYSBUPHUAIVIRI-UHFFFAOYSA-N 1 0 380.535 2.998 20 0 GFADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)NCc1sc(C)cc1Br ZINC000660700052 565288988 /nfs/dbraw/zinc/28/89/88/565288988.db2.gz IWXQXDVNSNVOKE-GFCCVEGCSA-N 1 0 390.347 2.729 20 0 GFADRO O=S(=O)(CC[NH2+]C1(CCO)CCCC1)c1ccc(Br)cc1 ZINC000660680724 565289750 /nfs/dbraw/zinc/28/97/50/565289750.db2.gz WLPFPLSYLMITQU-UHFFFAOYSA-N 1 0 376.316 2.508 20 0 GFADRO COC(=O)C[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)c1ccc(Br)cc1 ZINC000592748126 565291600 /nfs/dbraw/zinc/29/16/00/565291600.db2.gz WHWYTRVNQYTYDU-DFBGVHRSSA-N 1 0 383.286 2.510 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccn(-c2cccc(Br)c2)n1 ZINC000592741285 565291625 /nfs/dbraw/zinc/29/16/25/565291625.db2.gz CQIIXVNHYYRFBL-WBVHZDCISA-N 1 0 389.297 2.991 20 0 GFADRO CN(CCC[NH+](C)C)C(=O)Nc1cc(N2CCOCC2)ccc1Br ZINC000640238239 565291918 /nfs/dbraw/zinc/29/19/18/565291918.db2.gz ZBBQNMQCPLWFRH-UHFFFAOYSA-N 1 0 399.333 2.701 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)N2CCN(c3ccc(Br)cc3)CC2)CC[N@@H+]1C ZINC000660858810 565296597 /nfs/dbraw/zinc/29/65/97/565296597.db2.gz QQWKCQGUVKTRSD-GDBMZVCRSA-N 1 0 395.345 2.763 20 0 GFADRO O=C(N[C@H](CO)C[NH+]1CCCC1)c1cc(C(F)(F)F)ccc1Br ZINC000640321963 565301817 /nfs/dbraw/zinc/30/18/17/565301817.db2.gz NJWLACGZQRZPPP-NSHDSACASA-N 1 0 395.219 2.654 20 0 GFADRO O=C(N[C@@H]1CC[NH2+]C12CCCC2)c1c(F)cccc1I ZINC000592952269 565305080 /nfs/dbraw/zinc/30/50/80/565305080.db2.gz BRKJFLDBSMNAGV-GFCCVEGCSA-N 1 0 388.224 2.835 20 0 GFADRO C[C@H](C[NH+]1CCOCC1)C(=O)NCC1(Cc2ccc(Br)cc2)CC1 ZINC000618538155 565305116 /nfs/dbraw/zinc/30/51/16/565305116.db2.gz ISZUYONDPOYAOX-OAHLLOKOSA-N 1 0 395.341 2.856 20 0 GFADRO COc1ncc(Br)cc1C[NH2+][C@H](C1CC1)C1(CO)CCOCC1 ZINC000661077689 565305908 /nfs/dbraw/zinc/30/59/08/565305908.db2.gz SQIDIDYCZSMNME-OAHLLOKOSA-N 1 0 385.302 2.510 20 0 GFADRO O[C@@H](C[NH2+]C1(c2ccc(Br)cc2)CCCCC1)CN1CCOCC1 ZINC000661133965 565309088 /nfs/dbraw/zinc/30/90/88/565309088.db2.gz PQACJWYFYPJUNM-SFHVURJKSA-N 1 0 397.357 2.891 20 0 GFADRO Cc1ccc(NC(=O)[C@@H](C)N2CC[C@@H](Cn3ccnn3)C2)c(Br)c1 ZINC000661144182 565309599 /nfs/dbraw/zinc/30/95/99/565309599.db2.gz DPCXMTDUQTVCHH-ZIAGYGMSSA-N 1 0 392.301 2.698 20 0 GFADRO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[N@@H+]1CC[C@H](Cn2ccnn2)C1 ZINC000661140437 565310044 /nfs/dbraw/zinc/31/00/44/565310044.db2.gz IIQDHEJEFJQWPE-ZDUSSCGKSA-N 1 0 382.295 2.565 20 0 GFADRO [NH3+]C1(CNC(=O)N2CCc3[nH]c4ccc(Br)cc4c3C2)CCC1 ZINC000640455632 565310980 /nfs/dbraw/zinc/31/09/80/565310980.db2.gz YHQNQCYXMXFEPH-UHFFFAOYSA-N 1 0 377.286 2.880 20 0 GFADRO CO[C@@H]1CCC[C@H]([C@H](CO)[NH2+]CC(=O)Nc2ccc(Br)cc2)C1 ZINC000661216950 565313688 /nfs/dbraw/zinc/31/36/88/565313688.db2.gz IEFQRSXXGBUYNZ-MAZHCROVSA-N 1 0 385.302 2.543 20 0 GFADRO C[C@@H](NC(=O)NC[C@@H]1CCC[N@H+](CC2CC2)C1)c1ncc(Br)cn1 ZINC000661234787 565315234 /nfs/dbraw/zinc/31/52/34/565315234.db2.gz IBQGORMCYHLAMX-OCCSQVGLSA-N 1 0 396.333 2.721 20 0 GFADRO C[C@H](NC(=O)NC[C@@H]1CCC[N@H+](CC2CC2)C1)c1ncc(Br)cn1 ZINC000661234786 565315351 /nfs/dbraw/zinc/31/53/51/565315351.db2.gz IBQGORMCYHLAMX-JSGCOSHPSA-N 1 0 396.333 2.721 20 0 GFADRO C[NH+](C)Cc1ccnc(NC(=O)NCCCCn2cc(Br)cn2)c1 ZINC000640568843 565316789 /nfs/dbraw/zinc/31/67/89/565316789.db2.gz FTDHWJNRFPGZAK-UHFFFAOYSA-N 1 0 395.305 2.704 20 0 GFADRO C[C@H](NCC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)c1cscn1 ZINC000661419723 565322561 /nfs/dbraw/zinc/32/25/61/565322561.db2.gz PTOUTXDKKLICLA-AWEZNQCLSA-N 1 0 376.551 2.981 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)N[C@@H](CO)c1cccc(Br)c1 ZINC000661404090 565322842 /nfs/dbraw/zinc/32/28/42/565322842.db2.gz SNRSMPIRBQFKGM-GJZGRUSLSA-N 1 0 384.318 2.655 20 0 GFADRO C[NH2+]C(C)(C)c1cn(Cc2nnc(-c3ccccc3Br)o2)nn1 ZINC000640793878 565327547 /nfs/dbraw/zinc/32/75/47/565327547.db2.gz FGEVXQRQPLXSRS-UHFFFAOYSA-N 1 0 377.246 2.593 20 0 GFADRO O[C@@H](COCc1ccco1)C[NH+]1CCN(c2ccc(Br)cc2)CC1 ZINC000661577026 565329158 /nfs/dbraw/zinc/32/91/58/565329158.db2.gz UMAGGUZEOQFSJT-QGZVFWFLSA-N 1 0 395.297 2.742 20 0 GFADRO CCC[N@H+](C)[C@@H](CNC(=O)N1C[C@@H]2C[C@H]1C[S@]2=O)c1ccc(Cl)cc1 ZINC000593404857 565330201 /nfs/dbraw/zinc/33/02/01/565330201.db2.gz WIDRDTMMTFUNML-RRNUEHDVSA-N 1 0 383.945 2.638 20 0 GFADRO C[C@H]1[NH2+]CCC[C@H]1NC(=O)NC(C)(C)COc1ncc(Cl)cc1Cl ZINC000640835472 565330324 /nfs/dbraw/zinc/33/03/24/565330324.db2.gz CFKAQEBBXHMVQX-ZWNOBZJWSA-N 1 0 375.300 2.986 20 0 GFADRO C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[NH+]1C[C@@H](C)C(O)[C@H](C)C1 ZINC000661625223 565332183 /nfs/dbraw/zinc/33/21/83/565332183.db2.gz SNFGZBSHJZRCNY-MGPQQGTHSA-N 1 0 383.330 2.745 20 0 GFADRO CCCCNC(=O)[C@H](C)n1cc([C@@H]([NH3+])c2ccc(Br)cc2)nn1 ZINC000640903938 565336183 /nfs/dbraw/zinc/33/61/83/565336183.db2.gz IXDNGHGTUYMULN-NHYWBVRUSA-N 1 0 380.290 2.566 20 0 GFADRO CCCCCNC(=O)[C@H](C)n1cc([C@H]([NH3+])c2ccc(Br)cc2)nn1 ZINC000640905158 565336370 /nfs/dbraw/zinc/33/63/70/565336370.db2.gz WXOFYIAIUMPXPA-BLLLJJGKSA-N 1 0 394.317 2.956 20 0 GFADRO C[C@@H](C(=O)Nc1ccccc1Br)n1cc(C[C@@H]2CCC[NH2+]C2)nn1 ZINC000640902034 565336393 /nfs/dbraw/zinc/33/63/93/565336393.db2.gz VTGCLUBTOVQIJY-STQMWFEESA-N 1 0 392.301 2.782 20 0 GFADRO C[NH2+]Cc1cn(Cc2csc(N(C(C)=O)c3ccc(Cl)cc3)n2)nn1 ZINC000640989652 565339786 /nfs/dbraw/zinc/33/97/86/565339786.db2.gz NJGZOSBGABCQPN-UHFFFAOYSA-N 1 0 376.873 2.840 20 0 GFADRO CCCCc1nc(Cn2cc([C@@H]([NH3+])c3ccc(Br)cc3)nn2)no1 ZINC000640993544 565340892 /nfs/dbraw/zinc/34/08/92/565340892.db2.gz AJHZUNZPTFSPBM-INIZCTEOSA-N 1 0 391.273 2.863 20 0 GFADRO CO[C@@H]1CS(=O)(=O)[C@H]2C[N@H+](C[C@@H](C)c3ccc(C(F)(F)F)cc3)C[C@H]21 ZINC000661883897 565341547 /nfs/dbraw/zinc/34/15/47/565341547.db2.gz RBKDGFADQTZEBD-CAPXZKIUSA-N 1 0 377.428 2.553 20 0 GFADRO O=C(N[C@H](CO)c1ccc(Cl)cc1C(F)(F)F)N[C@@H]1CCC[NH2+]CC1 ZINC000641041461 565342608 /nfs/dbraw/zinc/34/26/08/565342608.db2.gz CKUHWBBKWWZWNN-BXUZGUMPSA-N 1 0 379.810 2.834 20 0 GFADRO CS[C@@H]1CN(C(=O)[C@H](C[C@H]2CCCO2)C(F)(F)F)C[C@@H]1[NH+]1CCCC1 ZINC000593602282 565346559 /nfs/dbraw/zinc/34/65/59/565346559.db2.gz NTTBBTRVDLWTPQ-CBBWQLFWSA-N 1 0 380.476 2.772 20 0 GFADRO CS[C@H]1CN(C(=O)c2nscc2Br)C[C@H]1[NH+]1CCCC1 ZINC000593604151 565346635 /nfs/dbraw/zinc/34/66/35/565346635.db2.gz XQRMIZLXLQTFRG-MNOVXSKESA-N 1 0 376.345 2.557 20 0 GFADRO CC(C)N1CCC[C@@H](n2cc([C@H]([NH3+])c3ccc(Br)cc3)nn2)C1=O ZINC000641118137 565347008 /nfs/dbraw/zinc/34/70/08/565347008.db2.gz UQUBZBCSOARVNZ-HZPDHXFCSA-N 1 0 392.301 2.661 20 0 GFADRO O=C1CCCN1C[C@@H]1CC[N@@H+](C[C@@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000662059905 565348758 /nfs/dbraw/zinc/34/87/58/565348758.db2.gz IZAGZQAYIXSOKH-UKRRQHHQSA-N 1 0 387.307 2.677 20 0 GFADRO CCOC(=O)C(C)(C)CCC[C@H](C)[NH2+]C[C@H]1CCCCN1S(C)(=O)=O ZINC000593626855 565349641 /nfs/dbraw/zinc/34/96/41/565349641.db2.gz HOOXEYATAWDNKU-JKSUJKDBSA-N 1 0 376.563 2.538 20 0 GFADRO CC(C)NC(=O)[C@@H]1CCC[N@H+](C[C@@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000662112202 565350083 /nfs/dbraw/zinc/35/00/83/565350083.db2.gz BOFKXDRZTQEQDW-UKRRQHHQSA-N 1 0 389.323 2.970 20 0 GFADRO CC(C)[C@H]([NH3+])c1cn([C@@H]2CCc3cc(Br)ccc3NC2=O)nn1 ZINC000641163944 565351049 /nfs/dbraw/zinc/35/10/49/565351049.db2.gz IFJSNMFQRHZIGS-CABCVRRESA-N 1 0 378.274 2.822 20 0 GFADRO C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+]1C[C@@H](C)[C@@](C)(CO)C1 ZINC000662138533 565351961 /nfs/dbraw/zinc/35/19/61/565351961.db2.gz WVVQAIFSTGCQOM-HBUWYVDXSA-N 1 0 383.330 2.746 20 0 GFADRO C[N@@H+](CC1=CCSC1)C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000662263882 565358114 /nfs/dbraw/zinc/35/81/14/565358114.db2.gz NSBPVCXGGSWAMV-AWEZNQCLSA-N 1 0 376.291 2.933 20 0 GFADRO C[C@H](C(=O)Nc1cccc(Br)c1)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662321457 565360978 /nfs/dbraw/zinc/36/09/78/565360978.db2.gz IPJCUTLUEQTACS-RHSMWYFYSA-N 1 0 398.345 2.819 20 0 GFADRO O=C(c1cc(Br)cc2c1OCCO2)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000662340804 565362360 /nfs/dbraw/zinc/36/23/60/565362360.db2.gz JMHLKUABIUZHAW-OAHLLOKOSA-N 1 0 395.297 2.825 20 0 GFADRO C[C@H](Cc1ccc(Br)cc1)NC(=O)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC000662387743 565363846 /nfs/dbraw/zinc/36/38/46/565363846.db2.gz VYUSYQLGYKDLLC-DGCLKSJQSA-N 1 0 377.286 2.610 20 0 GFADRO COC(=O)c1cc(Br)cc(C(=O)N(C)CC[NH+]2CCCCC2)c1 ZINC000593882821 565366044 /nfs/dbraw/zinc/36/60/44/565366044.db2.gz MQJGTPFXBDGWHP-UHFFFAOYSA-N 1 0 383.286 2.794 20 0 GFADRO C[C@@H]1CCCN(C(=O)Cc2cccc(I)c2)[C@@H]1CC[NH3+] ZINC000593914234 565367467 /nfs/dbraw/zinc/36/74/67/565367467.db2.gz BNNUWBLIFDWXGR-IUODEOHRSA-N 1 0 386.277 2.810 20 0 GFADRO CCn1cc(Br)cc1C(=O)NCC(C)(C)[NH+]1CCC(OC)CC1 ZINC000593922603 565367552 /nfs/dbraw/zinc/36/75/52/565367552.db2.gz UNNZAJXGFNXBQW-UHFFFAOYSA-N 1 0 386.334 2.890 20 0 GFADRO O=C(N[C@H]1CCN(c2ccccc2Cl)C1=O)c1cc2c(s1)CC[NH2+]C2 ZINC000662454328 565370221 /nfs/dbraw/zinc/37/02/21/565370221.db2.gz JXVFJQJELPFLTP-ZDUSSCGKSA-N 1 0 375.881 2.583 20 0 GFADRO [NH3+]C[C@@H]1CCCc2ccc(C(=O)Nc3c[nH]cc(Br)c3=O)cc21 ZINC000662509074 565372254 /nfs/dbraw/zinc/37/22/54/565372254.db2.gz KDLURMQKCWGDMR-LBPRGKRZSA-N 1 0 376.254 2.768 20 0 GFADRO N[C@H](C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)c1ccccc1Br ZINC000662505968 565372736 /nfs/dbraw/zinc/37/27/36/565372736.db2.gz WRHNBMVODLPKSI-VHSSKADRSA-N 1 0 392.341 2.924 20 0 GFADRO C[C@H](Cc1ccc(F)c(Br)c1)NC(=O)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC000662502881 565372939 /nfs/dbraw/zinc/37/29/39/565372939.db2.gz NZDDOKHXKVREKE-PWSUYJOCSA-N 1 0 395.276 2.749 20 0 GFADRO O=C(c1cc(-c2ccc(Br)cc2)no1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000662515420 565373910 /nfs/dbraw/zinc/37/39/10/565373910.db2.gz RGHZQYXOSOKVNY-QGZVFWFLSA-N 1 0 376.254 2.930 20 0 GFADRO CN(C)Cc1ccc(NC(=O)c2cn[nH]c2[C@@H]2CC[NH2+]C2)cc1Br ZINC000662534943 565374483 /nfs/dbraw/zinc/37/44/83/565374483.db2.gz HHMHBFJLSATOOI-LLVKDONJSA-N 1 0 392.301 2.563 20 0 GFADRO CC(C)C[NH+]1CCC(NC(=O)c2sc3c(c2Br)CNC3)CC1 ZINC000662525717 565374619 /nfs/dbraw/zinc/37/46/19/565374619.db2.gz XFEUDPKNMWJDHB-UHFFFAOYSA-N 1 0 386.359 2.964 20 0 GFADRO Cc1c(Cl)cccc1NC(=O)CCNC(=O)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662548372 565376122 /nfs/dbraw/zinc/37/61/22/565376122.db2.gz PUGHEHYVQAELNU-HNNXBMFYSA-N 1 0 377.794 2.635 20 0 GFADRO COc1cc(Br)c(CNC(=O)C2([NH2+]C3CC3)CCC2)cc1OC ZINC000662568074 565377517 /nfs/dbraw/zinc/37/75/17/565377517.db2.gz AODVKLWXZSGMAW-UHFFFAOYSA-N 1 0 383.286 2.757 20 0 GFADRO CO[C@H](C(=O)N1C[C@@H](SC)[C@@H]([NH+](C)C)C1)c1ccccc1Br ZINC000594333109 565382432 /nfs/dbraw/zinc/38/24/32/565382432.db2.gz TUXNDYWMNYAHSO-ZNMIVQPWSA-N 1 0 387.343 2.641 20 0 GFADRO CN(C)Cc1ccc(NC(=O)[C@]2(C(F)(F)F)CC[NH2+]C2)cc1Br ZINC000662796631 565384859 /nfs/dbraw/zinc/38/48/59/565384859.db2.gz PAXIWAKXBSUSES-AWEZNQCLSA-N 1 0 394.235 2.991 20 0 GFADRO CC(C)(C)n1cc(Br)c(C(=O)Nc2cnc3c(c2)C[NH2+]CC3)n1 ZINC000662763415 565384965 /nfs/dbraw/zinc/38/49/65/565384965.db2.gz AUAYKUYAJFGGGZ-UHFFFAOYSA-N 1 0 378.274 2.694 20 0 GFADRO [NH3+]C1(C(=O)NCc2noc(-c3cccc(Br)c3)n2)CC2(CCC2)C1 ZINC000662811144 565385661 /nfs/dbraw/zinc/38/56/61/565385661.db2.gz WJLJJCANAFJXJU-UHFFFAOYSA-N 1 0 391.269 2.777 20 0 GFADRO O=C(N1CCOc2ccc(Br)cc2C1)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662811162 565385673 /nfs/dbraw/zinc/38/56/73/565385673.db2.gz WOYKTGCYMCOHIT-AWEZNQCLSA-N 1 0 393.203 2.712 20 0 GFADRO O=C(c1cc(Br)ccc1Cl)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000620490381 565386152 /nfs/dbraw/zinc/38/61/52/565386152.db2.gz YPNBBGSJEMLUFQ-CYBMUJFWSA-N 1 0 387.705 2.774 20 0 GFADRO O=C(NCc1noc(-c2cccc(Br)c2)n1)C1([NH2+]C2CC2)CCC1 ZINC000662810088 565386255 /nfs/dbraw/zinc/38/62/55/565386255.db2.gz NIGUNHUPGBWESO-UHFFFAOYSA-N 1 0 391.269 2.790 20 0 GFADRO Cc1cc(CCC(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)ccc1Br ZINC000620482391 565386426 /nfs/dbraw/zinc/38/64/26/565386426.db2.gz NRIZKKKWNUJGMG-QGZVFWFLSA-N 1 0 395.341 2.748 20 0 GFADRO Cc1c(C[NH3+])c(NC(=O)CCCOc2ccccc2Br)nn1C ZINC000662840758 565386879 /nfs/dbraw/zinc/38/68/79/565386879.db2.gz DNUCEJCIBNFBRI-UHFFFAOYSA-N 1 0 381.274 2.747 20 0 GFADRO O=C(N1CCO[C@H](c2c(F)cccc2Cl)C1)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662823408 565387513 /nfs/dbraw/zinc/38/75/13/565387513.db2.gz HVCAEXNWRJSJRJ-WFASDCNBSA-N 1 0 380.769 2.921 20 0 GFADRO [NH3+]C1(C(=O)N2CCN(Cc3ccc(Br)cc3)CC2)CC2(CCC2)C1 ZINC000662821518 565387554 /nfs/dbraw/zinc/38/75/54/565387554.db2.gz GRKNCEYIQVZVOM-UHFFFAOYSA-N 1 0 392.341 2.755 20 0 GFADRO CC(C)([NH3+])c1nocc1C(=O)N1CCN(c2ccc(Br)cc2)CC1 ZINC000662870707 565388078 /nfs/dbraw/zinc/38/80/78/565388078.db2.gz LRNVWXIZSMNTCD-UHFFFAOYSA-N 1 0 393.285 2.593 20 0 GFADRO [NH3+]CCc1ccccc1C(=O)N1CCN(c2ccc(Br)cc2)CC1 ZINC000662871118 565388430 /nfs/dbraw/zinc/38/84/30/565388430.db2.gz UTVYKXFZSWTAME-UHFFFAOYSA-N 1 0 388.309 2.913 20 0 GFADRO O=C(N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)c1[nH]nc(C2CC2)c1Br ZINC000662868257 565388788 /nfs/dbraw/zinc/38/87/88/565388788.db2.gz ZTXCAHGCJMDYKG-ZIAGYGMSSA-N 1 0 389.297 2.925 20 0 GFADRO CCOC(=O)c1sc2ccsc2c1CNC(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000594525804 565398364 /nfs/dbraw/zinc/39/83/64/565398364.db2.gz VQNULRSERNVFHA-SECBINFHSA-N 1 0 395.428 2.828 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCc2c(nnn2C)C1)c1ccc(I)cc1 ZINC000594522724 565398372 /nfs/dbraw/zinc/39/83/72/565398372.db2.gz RUMWMBFWVHLIDB-GXFFZTMASA-N 1 0 382.249 2.628 20 0 GFADRO Cc1cc(Br)ccc1[C@H](C)[NH2+][C@@H]1CCN(CCN2CCOCC2)C1 ZINC000641774921 565398638 /nfs/dbraw/zinc/39/86/38/565398638.db2.gz VKFOKEISZDJRAL-FUHWJXTLSA-N 1 0 396.373 2.815 20 0 GFADRO CC(=O)NC[C@@H]1CCC[N@H+](C[C@H](O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000620807932 565398678 /nfs/dbraw/zinc/39/86/78/565398678.db2.gz FAUNMGBKGVQYEM-KBPBESRZSA-N 1 0 375.296 2.581 20 0 GFADRO O[C@H](C[NH2+]Cc1cc(Br)sc1Br)[C@H]1CCCO1 ZINC000641775633 565398840 /nfs/dbraw/zinc/39/88/40/565398840.db2.gz NSZJEODVXKGISV-RKDXNWHRSA-N 1 0 385.121 2.903 20 0 GFADRO C[C@H]([NH2+][C@H]1CCCN(CCN2CCOCC2)C1)c1ccccc1Br ZINC000641785769 565399591 /nfs/dbraw/zinc/39/95/91/565399591.db2.gz DTCVSUIIEBINHZ-IRXDYDNUSA-N 1 0 396.373 2.896 20 0 GFADRO COc1cc(C(=O)N2CCO[C@H](CCC[NH+](C)C)C2)sc1Br ZINC000620972264 565403341 /nfs/dbraw/zinc/40/33/41/565403341.db2.gz ZTPZWAXKSORKGK-LLVKDONJSA-N 1 0 391.331 2.702 20 0 GFADRO O=C(CCn1cc(Br)cn1)NC1CC[NH+](CC2CCCC2)CC1 ZINC000621048335 565405167 /nfs/dbraw/zinc/40/51/67/565405167.db2.gz BURXVVJJPJUNKW-UHFFFAOYSA-N 1 0 383.334 2.807 20 0 GFADRO C[C@H](NC(=O)C(=O)N1CCC(C)([NH3+])CC1)c1cc(F)c(Cl)cc1Cl ZINC000642096131 565405406 /nfs/dbraw/zinc/40/54/06/565405406.db2.gz DVKALVBNOUKQTJ-VIFPVBQESA-N 1 0 376.259 2.650 20 0 GFADRO COc1ncc(C(=O)NC[C@H]2CCC[N@H+](CC3CC3)C2)cc1Br ZINC000621099595 565406122 /nfs/dbraw/zinc/40/61/22/565406122.db2.gz XCZBIARUOMTANY-CYBMUJFWSA-N 1 0 382.302 2.705 20 0 GFADRO Cc1[nH]c(=O)c(Br)cc1C(=O)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000621110737 565406171 /nfs/dbraw/zinc/40/61/71/565406171.db2.gz VNCJJWZPVJMMEK-CYBMUJFWSA-N 1 0 382.302 2.710 20 0 GFADRO CC(C)[NH+](CCNC(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1)C(C)C ZINC000642164410 565406831 /nfs/dbraw/zinc/40/68/31/565406831.db2.gz HYWZHDILNBDVHH-UHFFFAOYSA-N 1 0 386.945 2.881 20 0 GFADRO CCOCC[C@H](O)C[NH2+]Cc1cc(Cl)ccc1I ZINC000594717627 565410699 /nfs/dbraw/zinc/41/06/99/565410699.db2.gz DCEOSWLNCRABEB-LBPRGKRZSA-N 1 0 383.657 2.822 20 0 GFADRO O[C@@H](C[NH2+]Cc1cc(Cl)ccc1I)COCC1CC1 ZINC000594717777 565411177 /nfs/dbraw/zinc/41/11/77/565411177.db2.gz GEECEZJWUBXFFN-ZDUSSCGKSA-N 1 0 395.668 2.822 20 0 GFADRO CCOC(=O)COc1c(Br)cc(C)cc1CN(C)CC(C)(C)[NH3+] ZINC000594736503 565413194 /nfs/dbraw/zinc/41/31/94/565413194.db2.gz QIWNSXPKUAJFNI-UHFFFAOYSA-N 1 0 387.318 2.869 20 0 GFADRO O[C@@H](C[NH2+]C1CCN([C@H]2CCOC2)CC1)COc1ccc(Cl)c(Cl)c1 ZINC000663363325 565415100 /nfs/dbraw/zinc/41/51/00/565415100.db2.gz JEXMQVGINZKUDN-GJZGRUSLSA-N 1 0 389.323 2.576 20 0 GFADRO CN(C)S(=O)(=O)c1cc(Cl)ccc1OCc1cccc2c1CC[NH2+]C2 ZINC000663379974 565416895 /nfs/dbraw/zinc/41/68/95/565416895.db2.gz PZHIOUWXWAOTAU-UHFFFAOYSA-N 1 0 380.897 2.815 20 0 GFADRO CNS(=O)(=O)CCNC1(c2nc(-c3ccccc3F)c(C)s2)CCC1 ZINC000621297993 565417297 /nfs/dbraw/zinc/41/72/97/565417297.db2.gz FOKBPFPOVDOJFM-UHFFFAOYSA-N 1 0 383.514 2.776 20 0 GFADRO CC(C)(CNC(=O)C(=O)N[C@@H]1CCC[NH2+]CC1)c1ccc(Cl)c(Cl)c1 ZINC000642724853 565417466 /nfs/dbraw/zinc/41/74/66/565417466.db2.gz NVJNARCZQPRMHT-CYBMUJFWSA-N 1 0 386.323 2.646 20 0 GFADRO COc1ccc2c(c1)CC[C@H]([NH2+]Cc1ccc(S(N)(=O)=O)c(Cl)c1)C2 ZINC000642793107 565417639 /nfs/dbraw/zinc/41/76/39/565417639.db2.gz IDGVCYZBEKOATE-HNNXBMFYSA-N 1 0 380.897 2.643 20 0 GFADRO Brc1ccc2nnc(NC3CC[NH+](Cc4ccccn4)CC3)n2c1 ZINC000663393397 565418074 /nfs/dbraw/zinc/41/80/74/565418074.db2.gz ANTOYLZPEULPRH-UHFFFAOYSA-N 1 0 387.285 2.963 20 0 GFADRO O=C(N[C@@H]1CCC[NH2+]CC1)C(=O)N(Cc1cccs1)Cc1cccs1 ZINC000642980986 565419822 /nfs/dbraw/zinc/41/98/22/565419822.db2.gz QDCBSMJNMRHGAI-CQSZACIVSA-N 1 0 377.535 2.597 20 0 GFADRO O=C(C[NH2+][C@@H]1CCCSc2ccc(Br)cc21)N1CCOCC1 ZINC000663443093 565421542 /nfs/dbraw/zinc/42/15/42/565421542.db2.gz OLZHGDTVWUXTNM-CQSZACIVSA-N 1 0 385.327 2.825 20 0 GFADRO COc1cc(N2CCC(CC[NH+]3CCOCC3)CC2)c(Br)cn1 ZINC000663479901 565422483 /nfs/dbraw/zinc/42/24/83/565422483.db2.gz LMCZXASPIDZXNJ-UHFFFAOYSA-N 1 0 384.318 2.791 20 0 GFADRO O=C(c1cc2c(cc1Br)OCO2)N1CC[NH+](C2CCCC2)CC1 ZINC000621481460 565426957 /nfs/dbraw/zinc/42/69/57/565426957.db2.gz PRWUKJIDTHILNR-UHFFFAOYSA-N 1 0 381.270 2.878 20 0 GFADRO C[C@@]1(NC(=O)C(=O)Nc2ccc(Br)c(Cl)c2Cl)CC[NH2+]C1 ZINC000663612897 565429014 /nfs/dbraw/zinc/42/90/14/565429014.db2.gz VYQFYXILSOLOKT-CYBMUJFWSA-N 1 0 395.084 2.563 20 0 GFADRO C[C@@H]1CN(c2nc(C3CC3)ncc2Br)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000663754610 565434203 /nfs/dbraw/zinc/43/42/03/565434203.db2.gz FDGFVRMPFYDKIV-CJNGLKHVSA-N 1 0 394.361 2.579 20 0 GFADRO C[C@H]([NH2+]Cc1cc(Cl)ccc1I)[C@H]1CN(C)CCO1 ZINC000594931313 565435517 /nfs/dbraw/zinc/43/55/17/565435517.db2.gz NPYDTUVQLHPLED-IINYFYTJSA-N 1 0 394.684 2.753 20 0 GFADRO O=C(CC[C@@H]1CCC[NH2+]C1)NCc1noc(-c2cccc(Br)c2)n1 ZINC000621663388 565436338 /nfs/dbraw/zinc/43/63/38/565436338.db2.gz JNKHPZWQKORHLP-LBPRGKRZSA-N 1 0 393.285 2.895 20 0 GFADRO [NH3+][C@]12CCC[C@@H]1CN(C(=O)c1cc(-c3ccc(Br)cc3)n[nH]1)C2 ZINC000621691526 565437093 /nfs/dbraw/zinc/43/70/93/565437093.db2.gz AGKMTKRABAVIPM-PXAZEXFGSA-N 1 0 375.270 2.793 20 0 GFADRO COc1ccc(Br)cc1C(=O)CCC(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000621683201 565437167 /nfs/dbraw/zinc/43/71/67/565437167.db2.gz RHTGCHPDGQDGCN-SGTLLEGYSA-N 1 0 395.297 2.760 20 0 GFADRO Cc1cc(C(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)nn1-c1ccc(Br)cc1 ZINC000621688332 565437171 /nfs/dbraw/zinc/43/71/71/565437171.db2.gz TWBPSYLOOHTZFF-UGSOOPFHSA-N 1 0 389.297 2.897 20 0 GFADRO [NH3+][C@]12CCC[C@@H]1CN(C(=O)c1cc(=O)[nH]c3c(Br)cccc13)C2 ZINC000621681120 565437214 /nfs/dbraw/zinc/43/72/14/565437214.db2.gz NDSAVEUVKFUALB-QGHHPUGFSA-N 1 0 376.254 2.656 20 0 GFADRO COc1cc(N2CCC(C)(C[NH+]3CCN(C)CC3)CC2)c(Br)cn1 ZINC000663798383 565437291 /nfs/dbraw/zinc/43/72/91/565437291.db2.gz YACDUZJKYUBNAR-UHFFFAOYSA-N 1 0 397.361 2.707 20 0 GFADRO C[C@]1(C[NH2+]Cc2cc(Cl)ccc2I)CCC(=O)N1 ZINC000594947161 565437503 /nfs/dbraw/zinc/43/75/03/565437503.db2.gz WSYNGYGCLZVWRS-CYBMUJFWSA-N 1 0 378.641 2.703 20 0 GFADRO CCS(=O)(=O)c1c(Cl)cccc1C[NH2+][C@@H]1CCC[C@H]([S@@](C)=O)C1 ZINC000594964830 565438331 /nfs/dbraw/zinc/43/83/31/565438331.db2.gz GPZVFINLZSJNRO-ALLJEULLSA-N 1 0 377.959 2.913 20 0 GFADRO O=C(NCc1cccc(Br)c1)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000663856456 565439390 /nfs/dbraw/zinc/43/93/90/565439390.db2.gz RQSVPLQLPQNROP-QGZVFWFLSA-N 1 0 396.329 2.845 20 0 GFADRO CC(C)COC[C@@H](O)C[NH2+][C@H]1CCc2ccc(I)cc21 ZINC000595017251 565442547 /nfs/dbraw/zinc/44/25/47/565442547.db2.gz LAPQUORZQVWWAO-HOCLYGCPSA-N 1 0 389.277 2.902 20 0 GFADRO C[N@@H+]1CC[C@H](NC(=O)c2cc(Br)c[nH]c2=O)[C@@H]1c1ccccc1 ZINC000621933994 565449239 /nfs/dbraw/zinc/44/92/39/565449239.db2.gz CLOVDRCTIPGJCP-GJZGRUSLSA-N 1 0 376.254 2.725 20 0 GFADRO CS(=O)(=O)N1CCCC[C@@H]1C[NH2+][C@H](Cc1ccncc1)c1cccs1 ZINC000643893587 565450571 /nfs/dbraw/zinc/45/05/71/565450571.db2.gz DEYMVMVOFMSDJS-IAGOWNOFSA-N 1 0 379.551 2.831 20 0 GFADRO COC(=O)c1cc(Br)c(F)cc1NC(=O)NCC[C@@H]([NH3+])C(C)C ZINC000595233540 565457026 /nfs/dbraw/zinc/45/70/26/565457026.db2.gz PTNPWZSDLCUKCH-GFCCVEGCSA-N 1 0 390.253 2.870 20 0 GFADRO Cc1nn(-c2ccc(C(=O)NC[C@@H]3C[C@H](F)C[NH2+]3)cc2)c(C)c1Br ZINC000644141628 565460522 /nfs/dbraw/zinc/46/05/22/565460522.db2.gz XTANEKNCGSCFPQ-KBPBESRZSA-N 1 0 395.276 2.681 20 0 GFADRO COC[C@@]1(CNC(=O)CCSc2ccc(Br)cc2)CCC[NH2+]1 ZINC000644125969 565460597 /nfs/dbraw/zinc/46/05/97/565460597.db2.gz MRQQRIRJQZDDMJ-INIZCTEOSA-N 1 0 387.343 2.816 20 0 GFADRO O=C(NCCSCC(F)(F)F)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1 ZINC000595265165 565460661 /nfs/dbraw/zinc/46/06/61/565460661.db2.gz ZFSPZCKJBICKTI-KBPBESRZSA-N 1 0 379.423 2.866 20 0 GFADRO COc1cc(OC)c(NC(=O)[C@H]2C[NH2+]CCC2(F)F)cc1Br ZINC000644160555 565461169 /nfs/dbraw/zinc/46/11/69/565461169.db2.gz JMKSJJIBRXBYIT-MRVPVSSYSA-N 1 0 379.201 2.650 20 0 GFADRO O=C(NC1CC[NH+](C2CCC2)CC1)c1cc2c(cc1Br)OCO2 ZINC000622094784 565462533 /nfs/dbraw/zinc/46/25/33/565462533.db2.gz RTMHLVASKIQZGY-UHFFFAOYSA-N 1 0 381.270 2.925 20 0 GFADRO O[C@H]1CC[N@@H+](C2CCN(c3ncc(Br)cc3C(F)(F)F)CC2)C1 ZINC000664599254 565469044 /nfs/dbraw/zinc/46/90/44/565469044.db2.gz ZUIOMKXGBJSTIK-LBPRGKRZSA-N 1 0 394.235 2.898 20 0 GFADRO C[C@@H](CCNC(=O)N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)[NH+](C)C ZINC000664601904 565469448 /nfs/dbraw/zinc/46/94/48/565469448.db2.gz ZGTLMVXYYZTMSQ-XHDPSFHLSA-N 1 0 387.311 2.738 20 0 GFADRO C[N@@H+]1C[C@@H]2CCN(S(=O)(=O)c3c(Cl)cc(F)cc3Br)[C@@H]2C1 ZINC000644297964 565470795 /nfs/dbraw/zinc/47/07/95/565470795.db2.gz BYEZTMHPQJEWMI-QPUJVOFHSA-N 1 0 397.697 2.566 20 0 GFADRO COC(=O)CC1([NH2+]Cc2ncc(Br)cc2Cl)CCOCC1 ZINC000595384919 565471593 /nfs/dbraw/zinc/47/15/93/565471593.db2.gz SOODUVMHQVCZMF-UHFFFAOYSA-N 1 0 377.666 2.699 20 0 GFADRO Cc1cc(Br)cn2cc(CCNC(=O)NCC[C@@H](C)[NH+](C)C)nc12 ZINC000664647937 565471758 /nfs/dbraw/zinc/47/17/58/565471758.db2.gz WOTSIVYZUCLWTL-CYBMUJFWSA-N 1 0 396.333 2.587 20 0 GFADRO C[C@@H](C[NH2+]C[C@H](c1ccc(Cl)cc1)N1CCOC(C)(C)C1)S(C)(=O)=O ZINC000644545418 565481704 /nfs/dbraw/zinc/48/17/04/565481704.db2.gz VAHSUKQWMJJYSU-WMLDXEAASA-N 1 0 388.961 2.515 20 0 GFADRO C[C@@H]1CN(C[C@H](O)C[NH2+]CC2(c3cccc(Br)c3)CC2)C[C@@H](C)O1 ZINC000644567915 565482808 /nfs/dbraw/zinc/48/28/08/565482808.db2.gz OFVFVGWBQRTISM-IIDMSEBBSA-N 1 0 397.357 2.540 20 0 GFADRO CCCNC(=O)[C@H]1CCC[N@H+](C[C@H](O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000622911309 565483145 /nfs/dbraw/zinc/48/31/45/565483145.db2.gz LRRNKQFCCQUIHC-KBPBESRZSA-N 1 0 389.323 2.971 20 0 GFADRO O[C@@H](C[NH2+][C@@H]1CCN(c2ccccn2)C1)COc1ccc(Cl)c(Cl)c1 ZINC000644608383 565484208 /nfs/dbraw/zinc/48/42/08/565484208.db2.gz HJKVLWSSESQNBR-KGLIPLIRSA-N 1 0 382.291 2.997 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S(=O)(=O)CC[NH2+]CC1(C(C)C)CC1 ZINC000644586582 565484338 /nfs/dbraw/zinc/48/43/38/565484338.db2.gz PPVCSXXDGRDPQM-UHFFFAOYSA-N 1 0 387.567 2.670 20 0 GFADRO COc1c(Br)ccc(C)c1C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000644614690 565484971 /nfs/dbraw/zinc/48/49/71/565484971.db2.gz NSZZFQXQYGZWSO-UHFFFAOYSA-N 1 0 381.274 2.777 20 0 GFADRO Cc1cccc(CC[NH2+]C[C@H](O)COc2cc(F)cc(Br)c2)n1 ZINC000644635870 565486077 /nfs/dbraw/zinc/48/60/77/565486077.db2.gz GQLTWHQLHMFZFN-INIZCTEOSA-N 1 0 383.261 2.864 20 0 GFADRO CCC[N@H+](C)CC(C)(C)NC(=O)CS(=O)(=O)Cc1ccc(Cl)s1 ZINC000622978425 565486232 /nfs/dbraw/zinc/48/62/32/565486232.db2.gz YMNHTKBZLWFFOS-UHFFFAOYSA-N 1 0 380.963 2.553 20 0 GFADRO NC(=O)Cc1ccc(C[NH2+]C[C@@H](O)COc2ccc(Cl)cc2Cl)cc1 ZINC000644649259 565487282 /nfs/dbraw/zinc/48/72/82/565487282.db2.gz PLAVACPFJVVTAP-OAHLLOKOSA-N 1 0 383.275 2.551 20 0 GFADRO O=C(C[NH2+]C1(CO)C2CC3CC(C2)CC1C3)Nc1ccc(Br)cn1 ZINC000665199884 565492645 /nfs/dbraw/zinc/49/26/45/565492645.db2.gz WXCIZOICSLZVTA-UHFFFAOYSA-N 1 0 394.313 2.559 20 0 GFADRO [NH3+]Cc1ccc(CNC(=O)c2nc(C3CC3)ncc2Br)c(F)c1 ZINC000623072440 565492984 /nfs/dbraw/zinc/49/29/84/565492984.db2.gz ACGSMXRMKOFXFD-UHFFFAOYSA-N 1 0 379.233 2.644 20 0 GFADRO O=C(c1nc(C2CC2)ncc1Br)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000623066719 565493083 /nfs/dbraw/zinc/49/30/83/565493083.db2.gz NOVSDDDPJKDDSI-STQMWFEESA-N 1 0 379.302 2.578 20 0 GFADRO C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC(=O)N(c4cc(Cl)cc(Cl)c4)C3)[C@@H]2C1 ZINC000644818616 565496514 /nfs/dbraw/zinc/49/65/14/565496514.db2.gz MXHGZWQGECXJIP-HWWQOWPSSA-N 1 0 382.291 2.509 20 0 GFADRO COC(=O)c1ccc(CN2CCO[C@@H](CCC[NH+](C)C)C2)c(Br)c1 ZINC000595905321 565497703 /nfs/dbraw/zinc/49/77/03/565497703.db2.gz BQOKLCZHLYWHOJ-INIZCTEOSA-N 1 0 399.329 2.778 20 0 GFADRO C[N@@H+]1C[C@H]2CCN(S(=O)(=O)c3ccc4ccccc4c3Br)[C@@H]2C1 ZINC000644862509 565499063 /nfs/dbraw/zinc/49/90/63/565499063.db2.gz RTWQRFAZEZROSS-UKRRQHHQSA-N 1 0 395.322 2.927 20 0 GFADRO [NH3+]CC12CC(C1)CN2C(=O)c1cc(Cl)ccc1I ZINC000595942892 565501518 /nfs/dbraw/zinc/50/15/18/565501518.db2.gz LUPAOKQYKABXAA-UHFFFAOYSA-N 1 0 376.625 2.508 20 0 GFADRO Brc1ccc(-c2noc(-c3cn(C[C@H]4CCC[NH2+]4)nn3)n2)cc1 ZINC000644924282 565502485 /nfs/dbraw/zinc/50/24/85/565502485.db2.gz GFKHITCPCFGJIY-GFCCVEGCSA-N 1 0 375.230 2.510 20 0 GFADRO C[C@@H]1CC[NH2+][C@H](C(=O)NCc2cc(Cl)ccc2I)C1 ZINC000595963384 565502633 /nfs/dbraw/zinc/50/26/33/565502633.db2.gz QIFNUSITMYGZNG-RNCFNFMXSA-N 1 0 392.668 2.949 20 0 GFADRO COC(=O)[C@@H](NC(=O)C[C@@H](C)C1CC[NH2+]CC1)c1ccccc1Br ZINC000595970799 565503578 /nfs/dbraw/zinc/50/35/78/565503578.db2.gz NUQJOSOSDRKHKR-PXAZEXFGSA-N 1 0 397.313 2.805 20 0 GFADRO CC[C@@](C)(O)C[NH2+]Cc1cc(Cl)cc(Cl)c1OCCN1CCOCC1 ZINC000623408474 565508038 /nfs/dbraw/zinc/50/80/38/565508038.db2.gz XGYWPOJMWNCSBX-GOSISDBHSA-N 1 0 391.339 2.955 20 0 GFADRO C[N@@H+]1CCCC[C@@H](CNC(=O)NCCOc2cccc(Br)c2)C1 ZINC000623446195 565510407 /nfs/dbraw/zinc/51/04/07/565510407.db2.gz UWLKYZHFKSFEGE-AWEZNQCLSA-N 1 0 384.318 2.859 20 0 GFADRO Cn1nc2cc(Br)ccc2c1C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000645123855 565513675 /nfs/dbraw/zinc/51/36/75/565513675.db2.gz PGCHLKXNDJTACG-HNNXBMFYSA-N 1 0 391.313 2.940 20 0 GFADRO CC[C@H](CO)[NH2+]Cc1cc(Cl)cc(Cl)c1OCCN1CCOCC1 ZINC000623484203 565514786 /nfs/dbraw/zinc/51/47/86/565514786.db2.gz IGPFKMRIZDGJBJ-OAHLLOKOSA-N 1 0 377.312 2.565 20 0 GFADRO O=S(=O)(c1cccs1)N1CC[C@@H](C[NH2+]Cc2cccc(O)c2Cl)C1 ZINC000645180769 565515308 /nfs/dbraw/zinc/51/53/08/565515308.db2.gz VTLKCUPAOMZVHR-LBPRGKRZSA-N 1 0 386.926 2.908 20 0 GFADRO Cc1cc(Br)c(C[NH2+][C@H]2C[C@@H](C(N)=O)C2)cc1Br ZINC000623559471 565518151 /nfs/dbraw/zinc/51/81/51/565518151.db2.gz BYJQKGVTKRNPNS-WAAGHKOSSA-N 1 0 376.092 2.874 20 0 GFADRO OC[C@]1([C@H]([NH2+]C[C@H](O)COc2ccc(Cl)c(Cl)c2)C2CC2)CCCO1 ZINC000645264174 565519114 /nfs/dbraw/zinc/51/91/14/565519114.db2.gz ZDSMMTJODLBWOZ-VHSSKADRSA-N 1 0 390.307 2.643 20 0 GFADRO C[C@H]([NH2+]CCNC(=O)c1cccc(Br)c1)c1cc2n(n1)CCC2 ZINC000666100663 565522686 /nfs/dbraw/zinc/52/26/86/565522686.db2.gz VRQUHQBHRMWNMV-LBPRGKRZSA-N 1 0 377.286 2.672 20 0 GFADRO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+][C@H]1CN(C)Cc2ccccc21 ZINC000666114694 565523288 /nfs/dbraw/zinc/52/32/88/565523288.db2.gz SWYNPXJSPGNJSD-GUYCJALGSA-N 1 0 376.298 2.776 20 0 GFADRO O=S(=O)(C[C@@H](O)C[NH2+][C@H]1CCc2cccc(Cl)c2C1)c1cccs1 ZINC000666112179 565523475 /nfs/dbraw/zinc/52/34/75/565523475.db2.gz IWDZXVFNOFZFOJ-KBPBESRZSA-N 1 0 385.938 2.683 20 0 GFADRO C[C@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH2+][C@H]1C[C@H](C(N)=O)C1 ZINC000623661798 565524114 /nfs/dbraw/zinc/52/41/14/565524114.db2.gz DGSVBTGXIBYWSF-FXPVBKGRSA-N 1 0 377.794 2.929 20 0 GFADRO O=c1ccc([C@@H]2OCC[C@H]2[NH2+]Cc2cnc3ccc(Br)cn23)c[nH]1 ZINC000623737650 565527981 /nfs/dbraw/zinc/52/79/81/565527981.db2.gz FYAZZFIXSNSOSM-PBHICJAKSA-N 1 0 389.253 2.817 20 0 GFADRO C[N@H+](CCNS(=O)(=O)Cc1cc(Cl)ccc1Br)C1CC1 ZINC000645489796 565530375 /nfs/dbraw/zinc/53/03/75/565530375.db2.gz NCDQYNSNWJWOMY-UHFFFAOYSA-N 1 0 381.723 2.616 20 0 GFADRO Brc1cc(C[NH2+]C[C@@H]2CN(Cc3ccncc3)CCO2)cs1 ZINC000623780268 565530561 /nfs/dbraw/zinc/53/05/61/565530561.db2.gz FJXGWRBCACYJTR-OAHLLOKOSA-N 1 0 382.327 2.896 20 0 GFADRO CCCC(=O)NC1CCN(C(=O)[C@@](C)([NH3+])c2ccc(Br)cc2)CC1 ZINC000645499817 565531298 /nfs/dbraw/zinc/53/12/98/565531298.db2.gz MQRCGIZXCJTDME-SFHVURJKSA-N 1 0 396.329 2.530 20 0 GFADRO C[NH+](C)CCN(Cc1cccc(C(F)(F)F)c1)S(=O)(=O)c1cscn1 ZINC000645495585 565531542 /nfs/dbraw/zinc/53/15/42/565531542.db2.gz YOFPTDHTQSGFKC-UHFFFAOYSA-N 1 0 393.456 2.914 20 0 GFADRO Cc1ccc(Br)cc1[C@@H](C)[NH2+]C1CCN(S(C)(=O)=O)CC1 ZINC000623859331 565532462 /nfs/dbraw/zinc/53/24/62/565532462.db2.gz KCRSAIYZQWRGCS-GFCCVEGCSA-N 1 0 375.332 2.832 20 0 GFADRO Cc1ccc(Br)cc1[C@H](C)[NH2+][C@H]1CCCN(S(C)(=O)=O)C1 ZINC000623879088 565533780 /nfs/dbraw/zinc/53/37/80/565533780.db2.gz XRMXGQYHRXUUCE-JSGCOSHPSA-N 1 0 375.332 2.832 20 0 GFADRO C[C@@H](CCNC(=O)Nc1ccc(F)cc1I)[NH+](C)C ZINC000596785326 565535084 /nfs/dbraw/zinc/53/50/84/565535084.db2.gz LPHUFEFSJXHCBD-VIFPVBQESA-N 1 0 379.217 2.892 20 0 GFADRO CCOc1ccc(Br)cc1S(=O)(=O)N(CC[NH+](C)C)C1CC1 ZINC000666394948 565535532 /nfs/dbraw/zinc/53/55/32/565535532.db2.gz BUMMMFHVMKPEOZ-UHFFFAOYSA-N 1 0 391.331 2.563 20 0 GFADRO CCOc1ccc(Br)cc1S(=O)(=O)N[C@H]1CCC[C@@H]1[NH+](C)C ZINC000666395204 565535843 /nfs/dbraw/zinc/53/58/43/565535843.db2.gz HGRBPVBKLGRRPC-STQMWFEESA-N 1 0 391.331 2.609 20 0 GFADRO CC(C)(C)[N@@H+]1C[C@@H](C(=O)N2CCOC[C@@H]2C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000645534578 565536335 /nfs/dbraw/zinc/53/63/35/565536335.db2.gz AEHNCMZLWOISEY-GMTAPVOTSA-N 1 0 376.341 2.685 20 0 GFADRO Cc1cc(Cl)c(NC(=O)N(CC[NH+](C)C)CC(=O)N(C)C)cc1Cl ZINC000666422187 565536720 /nfs/dbraw/zinc/53/67/20/565536720.db2.gz FOTVOYCSMTXUIE-UHFFFAOYSA-N 1 0 375.300 2.786 20 0 GFADRO CC1CC[NH+](CCNC(=O)[C@@H]2CCO[C@H]2c2cncc(Br)c2)CC1 ZINC000666412636 565536890 /nfs/dbraw/zinc/53/68/90/565536890.db2.gz MNTCCWMSIRQHRD-SJORKVTESA-N 1 0 396.329 2.770 20 0 GFADRO CN(CC1C[NH+](C)C1)C(=O)Nc1cnn(-c2ccccc2Br)c1 ZINC000666447694 565537862 /nfs/dbraw/zinc/53/78/62/565537862.db2.gz XIAGSYXXAMGOLF-UHFFFAOYSA-N 1 0 378.274 2.660 20 0 GFADRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)c1cc(Br)cc2c1OCCO2 ZINC000666452278 565537888 /nfs/dbraw/zinc/53/78/88/565537888.db2.gz YOBTYRQKMPKLOW-UONOGXRCSA-N 1 0 381.270 2.577 20 0 GFADRO CCC[N@@H+]1CC[C@H](NC(=O)Nc2cccc(C(=O)OC)c2Br)C1 ZINC000596873184 565538654 /nfs/dbraw/zinc/53/86/54/565538654.db2.gz SZRGVFCPDBEIMV-NSHDSACASA-N 1 0 384.274 2.842 20 0 GFADRO COc1ccc(Br)c(CNC(=O)[C@@H]2C[NH2+]Cc3ccccc32)c1 ZINC000645597628 565542650 /nfs/dbraw/zinc/54/26/50/565542650.db2.gz JEFQXIIHROEBKH-MRXNPFEDSA-N 1 0 375.266 2.961 20 0 GFADRO COc1ncc(Br)cc1C[NH2+][C@H](C)c1cccc(-n2cnnn2)c1 ZINC000624132952 565544141 /nfs/dbraw/zinc/54/41/41/565544141.db2.gz DLZRNEMFHZIWIK-LLVKDONJSA-N 1 0 389.257 2.679 20 0 GFADRO CC[N@@H+]1CC[C@H](CNC(=O)Nc2ccc(I)cc2F)C1 ZINC000597018579 565546363 /nfs/dbraw/zinc/54/63/63/565546363.db2.gz QRLCOMCDUYEJBO-SNVBAGLBSA-N 1 0 391.228 2.894 20 0 GFADRO C[C@H]([NH2+][C@H]1CO[C@H](C2CC2)C1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000624222926 565548516 /nfs/dbraw/zinc/54/85/16/565548516.db2.gz JXCVZDOVKSGGEG-HNXYLICVSA-N 1 0 379.309 2.859 20 0 GFADRO CN(CC[N@H+](C)C1CC1)C(=O)Nc1ccc(I)cc1F ZINC000597024958 565548441 /nfs/dbraw/zinc/54/84/41/565548441.db2.gz SOUOMRAGZTYFIY-UHFFFAOYSA-N 1 0 391.228 2.988 20 0 GFADRO COC(=O)c1ccc(C[NH2+]Cc2ccc(CS(C)(=O)=O)cc2)cc1Cl ZINC000597077063 565550508 /nfs/dbraw/zinc/55/05/08/565550508.db2.gz YLSMWYMQGJVFPN-UHFFFAOYSA-N 1 0 381.881 2.961 20 0 GFADRO O[C@H]1CCN(CCN[C@@H](c2ccc(Br)o2)c2ccc(F)cc2)C1 ZINC000624338695 565551201 /nfs/dbraw/zinc/55/12/01/565551201.db2.gz ATJPFMSUUMKGTL-WMLDXEAASA-N 1 0 383.261 2.927 20 0 GFADRO Cc1cc(Br)c(F)cc1S(=O)(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000624353991 565552458 /nfs/dbraw/zinc/55/24/58/565552458.db2.gz AASKYKXSSBXSHQ-JTQLQIEISA-N 1 0 379.295 2.645 20 0 GFADRO O=C(NCCCN1CC[NH2+]CC1)Nc1ccccc1SCC(F)(F)F ZINC000666726104 565553564 /nfs/dbraw/zinc/55/35/64/565553564.db2.gz KBYJODMGFUOXBD-UHFFFAOYSA-N 1 0 376.448 2.758 20 0 GFADRO Cc1cc(Br)c(F)cc1S(=O)(=O)N1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000624370858 565553692 /nfs/dbraw/zinc/55/36/92/565553692.db2.gz YZIOAQBFZRZOFR-GXSJLCMTSA-N 1 0 379.295 2.502 20 0 GFADRO CC[C@@H](C)[NH2+][C@@H](CNS(=O)(=O)c1cnc(OC)c(Cl)c1)c1ccco1 ZINC000645709762 565553862 /nfs/dbraw/zinc/55/38/62/565553862.db2.gz SMILPRNIMJFUQP-RISCZKNCSA-N 1 0 387.889 2.744 20 0 GFADRO C[C@H](CNC(=O)c1cc(Br)cc2c1OCCO2)C[NH+]1CCCC1 ZINC000666755177 565554915 /nfs/dbraw/zinc/55/49/15/565554915.db2.gz CPPWQRLQJAPEJD-GFCCVEGCSA-N 1 0 383.286 2.682 20 0 GFADRO C[C@@H](CNC(=O)[C@@H]1CCO[C@H]1c1cncc(Br)c1)C[NH+]1CCCC1 ZINC000666756377 565556007 /nfs/dbraw/zinc/55/60/07/565556007.db2.gz RAUHUCJMXMVMTI-XKQJLSEDSA-N 1 0 396.329 2.770 20 0 GFADRO Cc1cc(Br)c(F)cc1S(=O)(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000624411502 565557088 /nfs/dbraw/zinc/55/70/88/565557088.db2.gz LDUVAUPYRQIABZ-GASCZTMLSA-N 1 0 391.306 2.517 20 0 GFADRO O=C(NCC1CC[NH+](C2CCOCC2)CC1)Nc1cc(Br)ccn1 ZINC000666894687 565562617 /nfs/dbraw/zinc/56/26/17/565562617.db2.gz YBVIVHIHWUTYSP-UHFFFAOYSA-N 1 0 397.317 2.857 20 0 GFADRO CNc1cc(I)ccc1C(=O)N[C@@H]1CCC[C@H]1[NH+](C)C ZINC000597535531 565562730 /nfs/dbraw/zinc/56/27/30/565562730.db2.gz XFWZOWGOUOZPKJ-TZMCWYRMSA-N 1 0 387.265 2.545 20 0 GFADRO CCC[N@@H+]1CC[C@@H](NC(=O)NC[C@@H](O)COc2cccc(Cl)c2Cl)C1 ZINC000666928804 565563979 /nfs/dbraw/zinc/56/39/79/565563979.db2.gz TWKXBSWRZXDGOI-CHWSQXEVSA-N 1 0 390.311 2.517 20 0 GFADRO C[N@@H+]1CCCC[C@H](CNC(=O)N[C@@H](CO)c2cccc(Br)c2)C1 ZINC000624612377 565565649 /nfs/dbraw/zinc/56/56/49/565565649.db2.gz SHYBHNPHYAORJS-CJNGLKHVSA-N 1 0 384.318 2.514 20 0 GFADRO COc1ncc(Br)cc1CNC(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000624632047 565567835 /nfs/dbraw/zinc/56/78/35/565567835.db2.gz FREFMBIQGFFGQG-CYBMUJFWSA-N 1 0 399.333 2.772 20 0 GFADRO COc1c(Br)cc(Cl)cc1NC(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000667076558 565568355 /nfs/dbraw/zinc/56/83/55/565568355.db2.gz DJSJJNFFORWYRP-QPUJVOFHSA-N 1 0 392.681 2.691 20 0 GFADRO COCC[NH+]1CCC(NC(=O)[C@@H]2[C@@H]3Cc4c(cccc4Br)[C@@H]32)CC1 ZINC000624636153 565569053 /nfs/dbraw/zinc/56/90/53/565569053.db2.gz PBYCWNDNXGQRRJ-BPQIPLTHSA-N 1 0 393.325 2.562 20 0 GFADRO CN(CCC[NH+](C)C)CCNC(=O)Nc1ccc(Br)c(C2CC2)n1 ZINC000667144570 565572589 /nfs/dbraw/zinc/57/25/89/565572589.db2.gz OOKZRLOZPASHDV-UHFFFAOYSA-N 1 0 398.349 2.727 20 0 GFADRO Cc1ncc(Br)cc1NC(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000667189550 565576003 /nfs/dbraw/zinc/57/60/03/565576003.db2.gz PDDGTWCVQGGACU-CQSZACIVSA-N 1 0 385.306 2.727 20 0 GFADRO COCC[N@@H+]1CCCN(C(=O)c2cc3cc(Br)sc3[nH]2)CC1 ZINC000667196009 565576121 /nfs/dbraw/zinc/57/61/21/565576121.db2.gz MTVXBHVUEOGFDQ-UHFFFAOYSA-N 1 0 386.315 2.786 20 0 GFADRO CC(C)c1cc(Br)ccc1NC(=O)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000667266424 565580496 /nfs/dbraw/zinc/58/04/96/565580496.db2.gz XLNFCGKQTJRWNH-ZDUSSCGKSA-N 1 0 382.302 2.769 20 0 GFADRO COc1cc(NC(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)cc(OC)c1Br ZINC000667324500 565581359 /nfs/dbraw/zinc/58/13/59/565581359.db2.gz YMUDPMNBGWZNJP-GFCCVEGCSA-N 1 0 384.274 2.825 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)Cc2ccc(I)cc2)C1 ZINC000597924398 565582457 /nfs/dbraw/zinc/58/24/57/565582457.db2.gz QSOZLWUEBPBDAR-CQSZACIVSA-N 1 0 386.277 2.823 20 0 GFADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)NCCOCCF ZINC000667401474 565585719 /nfs/dbraw/zinc/58/57/19/565585719.db2.gz JBRNHMKILIJDQN-UHFFFAOYSA-N 1 0 390.297 2.508 20 0 GFADRO O=C(Nc1ccnn1Cc1cccc(Br)c1)N[C@H]1CCC[NH2+]CC1 ZINC000667432202 565586700 /nfs/dbraw/zinc/58/67/00/565586700.db2.gz LKGWXKMENGBUJH-HNNXBMFYSA-N 1 0 392.301 2.958 20 0 GFADRO C[C@@H](C(=O)Nc1ccccc1Br)N1CCOC2(CC[NH+](C)CC2)C1 ZINC000646103222 565587028 /nfs/dbraw/zinc/58/70/28/565587028.db2.gz KHGNXHYSBTYZJL-AWEZNQCLSA-N 1 0 396.329 2.573 20 0 GFADRO CSc1ccc(Cl)c(NC(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000667469912 565588707 /nfs/dbraw/zinc/58/87/07/565588707.db2.gz IVVPVEUHUJEJHW-GFCCVEGCSA-N 1 0 384.933 2.771 20 0 GFADRO O=C(NCCCO)C1CC[NH+](Cc2cc3cc(Br)ccc3o2)CC1 ZINC000667501584 565590504 /nfs/dbraw/zinc/59/05/04/565590504.db2.gz BNTRYXHOIZYLPU-UHFFFAOYSA-N 1 0 395.297 2.906 20 0 GFADRO C[NH+](C)C[C@H](CO)NC(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1 ZINC000646212118 565590777 /nfs/dbraw/zinc/59/07/77/565590777.db2.gz PUYBCAXGMCMKAO-GFCCVEGCSA-N 1 0 386.279 2.620 20 0 GFADRO C[NH+]1CCC2(CCN(C(=O)COc3ccc(Br)cc3F)C2)CC1 ZINC000646248823 565592059 /nfs/dbraw/zinc/59/20/59/565592059.db2.gz PZNAQYFSBCFADE-UHFFFAOYSA-N 1 0 385.277 2.911 20 0 GFADRO O=C(Nc1ccccc1SCC(F)(F)F)C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000667506051 565592302 /nfs/dbraw/zinc/59/23/02/565592302.db2.gz KYGNYIZPRDTQMH-NSHDSACASA-N 1 0 375.416 2.538 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H](CNC(=O)Nc2ccnn2-c2ccc(Br)cn2)C1 ZINC000667517403 565592381 /nfs/dbraw/zinc/59/23/81/565592381.db2.gz GPHMMVURVNWVCZ-DGCLKSJQSA-N 1 0 393.289 2.669 20 0 GFADRO O=C(Nc1cc(Cl)ccc1C(F)(F)F)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000667536884 565593168 /nfs/dbraw/zinc/59/31/68/565593168.db2.gz LUJZTDPZJQFFNO-NOZJJQNGSA-N 1 0 375.778 2.508 20 0 GFADRO CC[C@H]1CN(C(=O)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)CC[C@H]1[NH3+] ZINC000667551930 565594385 /nfs/dbraw/zinc/59/43/85/565594385.db2.gz CVKXEOURZFNHQU-JOYOIKCWSA-N 1 0 377.794 2.883 20 0 GFADRO CCc1c(C(=O)NCC2([NH3+])CCC2)cnn1-c1ccc(Br)cc1 ZINC000646306309 565595222 /nfs/dbraw/zinc/59/52/22/565595222.db2.gz DWZIPHROBWCEEH-UHFFFAOYSA-N 1 0 377.286 2.808 20 0 GFADRO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)Nc1ccc2nccnc2c1Br ZINC000667590672 565595456 /nfs/dbraw/zinc/59/54/56/565595456.db2.gz HHSXCEQTJGRHMT-UWVGGRQHSA-N 1 0 382.237 2.556 20 0 GFADRO C[C@H]1COCC[N@@H+]1C1CCN(C(=O)COc2ccc(Br)cc2)CC1 ZINC000646319676 565596304 /nfs/dbraw/zinc/59/63/04/565596304.db2.gz YYOKAVGZOHLSJH-AWEZNQCLSA-N 1 0 397.313 2.540 20 0 GFADRO CNS(=O)(=O)C1CC[NH+](Cc2cc3cc(Br)ccc3o2)CC1 ZINC000667618723 565598274 /nfs/dbraw/zinc/59/82/74/565598274.db2.gz GMTLAKJGHYXMGF-UHFFFAOYSA-N 1 0 387.299 2.709 20 0 GFADRO O=C(Nc1cccc(Br)c1F)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000667923765 565614995 /nfs/dbraw/zinc/61/49/95/565614995.db2.gz VHLQDAPJVFBAGW-GFCCVEGCSA-N 1 0 386.265 2.774 20 0 GFADRO Cc1cccc2sc(C(=O)Nc3nc(N4CC[NH2+]CC4)n[nH]3)c(Cl)c21 ZINC000646800893 565620160 /nfs/dbraw/zinc/62/01/60/565620160.db2.gz ICWTXKPSPOEUFJ-UHFFFAOYSA-N 1 0 376.873 2.643 20 0 GFADRO CCC([NH3+])(CC)CNC(=O)c1ncc(Br)cc1Br ZINC000646798995 565620407 /nfs/dbraw/zinc/62/04/07/565620407.db2.gz VDCPBGCIEUDCCW-UHFFFAOYSA-N 1 0 379.096 2.854 20 0 GFADRO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)CCCc1cccc(Br)c1 ZINC000668041784 565622889 /nfs/dbraw/zinc/62/28/89/565622889.db2.gz ZWVLKGVFGOWLFQ-LSDHHAIUSA-N 1 0 383.330 2.685 20 0 GFADRO C[N@@H+]1CCCC[C@@H](CNS(=O)(=O)c2c(F)cccc2OC(F)(F)F)C1 ZINC000625424418 565629281 /nfs/dbraw/zinc/62/92/81/565629281.db2.gz JQGZLBQWUZAOMF-NSHDSACASA-N 1 0 384.395 2.735 20 0 GFADRO Cc1ccc(S(=O)(=O)NC[C@H]2CCCC[N@@H+](C)C2)cc1Br ZINC000625423733 565630181 /nfs/dbraw/zinc/63/01/81/565630181.db2.gz YIGSJBICYAFFEI-CYBMUJFWSA-N 1 0 375.332 2.768 20 0 GFADRO CC1([NH3+])CCN(C(=O)[C@@H](c2ccc(Br)cc2)N2CCCC2)CC1 ZINC000646993685 565631095 /nfs/dbraw/zinc/63/10/95/565631095.db2.gz DPFMIAFWYLXMEZ-MRXNPFEDSA-N 1 0 380.330 2.926 20 0 GFADRO [NH3+][C@@H]1CCC[C@H](NC(=O)c2ncc(Br)cc2Br)C1 ZINC000646996915 565631158 /nfs/dbraw/zinc/63/11/58/565631158.db2.gz CVBBGRFQJZNNOS-BDAKNGLRSA-N 1 0 377.080 2.606 20 0 GFADRO O=C(N[C@@H]1CCC[NH2+]CC1)[C@H](c1ccc(Br)cc1)N1CCCC1 ZINC000646985663 565631300 /nfs/dbraw/zinc/63/13/00/565631300.db2.gz FQDLGZPQHZTMHF-SJORKVTESA-N 1 0 380.330 2.844 20 0 GFADRO O=C1Nc2ccc(Br)cc2CC[C@H]1[NH+]1CCC(C2(O)CC2)CC1 ZINC000625510864 565635416 /nfs/dbraw/zinc/63/54/16/565635416.db2.gz XVLPRLIUECKLPI-MRXNPFEDSA-N 1 0 379.298 2.939 20 0 GFADRO Cc1cc(COc2ccc(C(=O)N[C@H](C)[C@@H](C)[NH3+])cc2Br)no1 ZINC000647067997 565635862 /nfs/dbraw/zinc/63/58/62/565635862.db2.gz IXSVRRVCUZPVAA-GHMZBOCLSA-N 1 0 382.258 2.790 20 0 GFADRO O=C(NCc1n[nH]cc1Br)[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000668264876 565636046 /nfs/dbraw/zinc/63/60/46/565636046.db2.gz PGBMYROAYTWKSR-AWEZNQCLSA-N 1 0 377.286 2.668 20 0 GFADRO O=C1[C@@H](c2nc([C@H]3CCC[NH2+]3)no2)CCN1c1ccccc1Br ZINC000647152852 565642123 /nfs/dbraw/zinc/64/21/23/565642123.db2.gz OMVBSBZBXIIDIG-ZYHUDNBSSA-N 1 0 377.242 2.777 20 0 GFADRO Cc1cc(S(=O)(=O)N(C2CC2)C2CC[NH2+]CC2)c(C)cc1Br ZINC000647190207 565644702 /nfs/dbraw/zinc/64/47/02/565644702.db2.gz NOPFYRLWJFLGHZ-UHFFFAOYSA-N 1 0 387.343 2.971 20 0 GFADRO Cc1ccc(-c2nn(C)cc2C[NH2+]CCn2cc(Br)ccc2=O)o1 ZINC000647214110 565646453 /nfs/dbraw/zinc/64/64/53/565646453.db2.gz NTCGSDMJYJSABN-UHFFFAOYSA-N 1 0 391.269 2.703 20 0 GFADRO O=S(=O)(Cc1ccc(Br)cc1Cl)NCC[C@H]1CC[NH2+]C1 ZINC000647214714 565647503 /nfs/dbraw/zinc/64/75/03/565647503.db2.gz NVCDTKUUNLJTBB-SNVBAGLBSA-N 1 0 381.723 2.522 20 0 GFADRO C[C@@H]1Cc2cc(S(=O)(=O)N3CCC[C@@H]([C@H]4CCC[NH2+]4)C3)cc(Cl)c2O1 ZINC000647237586 565648159 /nfs/dbraw/zinc/64/81/59/565648159.db2.gz HEPFYZKXBXOIFC-PBFPGSCMSA-N 1 0 384.929 2.816 20 0 GFADRO O=S(=O)(c1ccc(F)c(C(F)(F)F)c1)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647237733 565648481 /nfs/dbraw/zinc/64/84/81/565648481.db2.gz RQPLSHQFCCMZDQ-XHDPSFHLSA-N 1 0 380.407 2.997 20 0 GFADRO CS(=O)(=O)[C@@H]1CN(Cc2ccc(OCC(F)F)cc2)C[C@H]1C(F)(F)F ZINC000668469176 565648919 /nfs/dbraw/zinc/64/89/19/565648919.db2.gz GOZXIEONIYUHER-CHWSQXEVSA-N 1 0 387.370 2.738 20 0 GFADRO OCCO[C@]1(C[NH2+]C2CC(c3ccc(Br)cc3F)C2)CCOC1 ZINC000668490854 565649281 /nfs/dbraw/zinc/64/92/81/565649281.db2.gz ZOCLJDZUMWPWDY-AJUCZRQESA-N 1 0 388.277 2.592 20 0 GFADRO CC[NH+](CC)[C@@H](CNC(=O)C(=O)N[C@H](C)c1cscn1)c1ccsc1 ZINC000668491463 565649837 /nfs/dbraw/zinc/64/98/37/565649837.db2.gz LWZTYZUVHNTLLM-DOMZBBRYSA-N 1 0 380.539 2.581 20 0 GFADRO CC(C)(C)c1nc2ccc(S(=O)(=O)N3CC[C@@H]4CC[NH2+][C@@H]4C3)cc2s1 ZINC000647263778 565650341 /nfs/dbraw/zinc/65/03/41/565650341.db2.gz BKWZTCJLNUNNNN-SWLSCSKDSA-N 1 0 379.551 2.966 20 0 GFADRO CO[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+][C@@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000668507549 565650846 /nfs/dbraw/zinc/65/08/46/565650846.db2.gz GKWSZZPSSVJAGP-LVQVYYBASA-N 1 0 377.428 2.743 20 0 GFADRO CC[C@H](CCc1ccc(Br)cc1)[NH2+][C@H]1CS(=O)(=O)C[C@@H]1OC ZINC000668506045 565651325 /nfs/dbraw/zinc/65/13/25/565651325.db2.gz FWTWWGWHMIRZJN-PMPSAXMXSA-N 1 0 390.343 2.562 20 0 GFADRO CC(C)(C)OC(=O)c1ccc(C[NH2+]C[C@@H]2CCCCN2S(C)(=O)=O)s1 ZINC000598974836 565651493 /nfs/dbraw/zinc/65/14/93/565651493.db2.gz BTXYVASREQMBNV-ZDUSSCGKSA-N 1 0 388.555 2.607 20 0 GFADRO CC[C@@H]1CN(S(=O)(=O)c2cc(C)c(Br)cc2C)CC[C@@H]1[NH3+] ZINC000647268374 565651638 /nfs/dbraw/zinc/65/16/38/565651638.db2.gz AQKQGAIWJPYZLB-OCCSQVGLSA-N 1 0 375.332 2.814 20 0 GFADRO CC(C)(C)OC(=O)c1ccc(C[NH2+]CCS(=O)(=O)NCC2CCC2)s1 ZINC000598961631 565651733 /nfs/dbraw/zinc/65/17/33/565651733.db2.gz VYAVVIHXBUNBJX-UHFFFAOYSA-N 1 0 388.555 2.513 20 0 GFADRO CC[C@H]1CN(S(=O)(=O)c2cc(Br)ccc2Cl)CC[C@@H]1[NH3+] ZINC000647269085 565651872 /nfs/dbraw/zinc/65/18/72/565651872.db2.gz LURTYTBQZNRXCF-CABZTGNLSA-N 1 0 381.723 2.850 20 0 GFADRO C[C@H](C[S@@](C)=O)[NH2+][C@H](C)c1ccc(NS(=O)(=O)c2ccccc2)cc1 ZINC000599045400 565654187 /nfs/dbraw/zinc/65/41/87/565654187.db2.gz QOKURGHWSJUNJD-KAEOHJDDSA-N 1 0 380.535 2.905 20 0 GFADRO C[C@@H]1CC[NH2+]C[C@@H]1NS(=O)(=O)Cc1ccc(Br)cc1Cl ZINC000647284301 565654362 /nfs/dbraw/zinc/65/43/62/565654362.db2.gz KIFJLQZOPQPCFJ-RNCFNFMXSA-N 1 0 381.723 2.520 20 0 GFADRO CC[C@H]([NH2+][C@@H](CO)c1ccnn1C)c1ccc(I)cc1 ZINC000599055736 565655771 /nfs/dbraw/zinc/65/57/71/565655771.db2.gz POHOTELUVAVBIQ-KBPBESRZSA-N 1 0 385.249 2.799 20 0 GFADRO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)NC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000647316553 565656357 /nfs/dbraw/zinc/65/63/57/565656357.db2.gz QZLKGRFPVPIYSO-KCQAQPDRSA-N 1 0 390.933 2.550 20 0 GFADRO CCOc1ccc(Br)cc1S(=O)(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000647321396 565656635 /nfs/dbraw/zinc/65/66/35/565656635.db2.gz NGDAYQTWCDTQEP-CYBMUJFWSA-N 1 0 391.331 2.658 20 0 GFADRO O=c1cc(C[N@@H+]2CC[C@H]3CC[C@@H](C2)S3)nc2ccc(Br)cn12 ZINC000625774447 565657767 /nfs/dbraw/zinc/65/77/67/565657767.db2.gz OSQCJPQHXZNERM-KGLIPLIRSA-N 1 0 380.311 2.927 20 0 GFADRO O=C(CC[NH2+][C@@]1(CO)CCc2cc(Br)ccc2C1)N1CCCCC1 ZINC000625794428 565659384 /nfs/dbraw/zinc/65/93/84/565659384.db2.gz JGKHRJAQKOWQHN-IBGZPJMESA-N 1 0 395.341 2.661 20 0 GFADRO CC1CCN(C(=O)C[NH2+][C@@]2(CO)CCc3cc(Br)ccc3C2)CC1 ZINC000625794797 565659586 /nfs/dbraw/zinc/65/95/86/565659586.db2.gz MVWVKJBAWXJRRA-IBGZPJMESA-N 1 0 395.341 2.517 20 0 GFADRO CCCn1c(C)nnc1C[NH2+][C@@]1(CO)CCc2cc(Br)ccc2C1 ZINC000625796094 565660912 /nfs/dbraw/zinc/66/09/12/565660912.db2.gz FEMZYCIXDCRTSZ-SFHVURJKSA-N 1 0 393.329 2.769 20 0 GFADRO CC[C@@H]([NH2+]CCC(=O)Nc1cc(OC)c(Cl)cc1OC)[C@@H](O)C(F)F ZINC000647536713 565664179 /nfs/dbraw/zinc/66/41/79/565664179.db2.gz YJOVPUQMTWYZQD-MEBBXXQBSA-N 1 0 380.819 2.680 20 0 GFADRO C[NH2+]CCOCCN(C)C(=O)N[C@@H](c1ccc(F)c(Cl)c1)C(F)(F)F ZINC000625883265 565664409 /nfs/dbraw/zinc/66/44/09/565664409.db2.gz UXSJNCYRUKERIA-ZDUSSCGKSA-N 1 0 385.789 2.960 20 0 GFADRO CCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H](C)c2c(Cl)cccc2Cl)C1 ZINC000668781416 565666298 /nfs/dbraw/zinc/66/62/98/565666298.db2.gz STNHCYSBMXNJMV-OLZOCXBDSA-N 1 0 386.323 2.814 20 0 GFADRO COC(=O)CCCC[NH+]1CCN(Cc2ccc(Br)s2)CC1 ZINC000599261557 565666394 /nfs/dbraw/zinc/66/63/94/565666394.db2.gz RQTNYEGTFRLGFX-UHFFFAOYSA-N 1 0 375.332 2.972 20 0 GFADRO C[N@H+](Cc1cnn(-c2ccc(Br)cc2)c1)C1(CO)CCOCC1 ZINC000668806173 565667776 /nfs/dbraw/zinc/66/77/76/565667776.db2.gz XJBNWVKPOZVEHJ-UHFFFAOYSA-N 1 0 380.286 2.608 20 0 GFADRO C[NH+](C)[C@]1(CNC(=O)[C@@H]2CCCN2Cc2ccc(Cl)cc2)CCSC1 ZINC000625985540 565668028 /nfs/dbraw/zinc/66/80/28/565668028.db2.gz SNQCGBJBCNLLAJ-HKUYNNGSSA-N 1 0 381.973 2.858 20 0 GFADRO CN(Cc1ccc(Cl)s1)C(=O)C[NH2+][C@@H]1CCO[C@H]1c1ccc(=O)[nH]c1 ZINC000625990136 565668230 /nfs/dbraw/zinc/66/82/30/565668230.db2.gz UYXFBDRQANUSNW-DYVFJYSZSA-N 1 0 381.885 2.580 20 0 GFADRO CN(C)C[C@H]([NH2+]C[C@H](O)COC1CCOCC1)c1ccc(Cl)c(Cl)c1 ZINC000625983331 565668589 /nfs/dbraw/zinc/66/85/89/565668589.db2.gz LSWBMFJFXJHFIT-KSSFIOAISA-N 1 0 391.339 2.742 20 0 GFADRO Cn1cc(CC[N@@H+]2CCC[C@@H]2c2ccc(I)cc2)nn1 ZINC000599302539 565668886 /nfs/dbraw/zinc/66/88/86/565668886.db2.gz GBBSHNFQZVCDTM-OAHLLOKOSA-N 1 0 382.249 2.799 20 0 GFADRO C[C@H]1C[C@@H](c2ccc(Br)cc2)C[N@@H+]1CC(=O)NC1CCOCC1 ZINC000626039882 565672570 /nfs/dbraw/zinc/67/25/70/565672570.db2.gz RGVDJTCDBRLITK-DZGCQCFKSA-N 1 0 381.314 2.922 20 0 GFADRO CCC1([NH+]2CCOCC2)CCN([C@H](C)c2ncc(Br)cn2)CC1 ZINC000626089266 565675496 /nfs/dbraw/zinc/67/54/96/565675496.db2.gz IVHIBVGXHFSZRJ-CQSZACIVSA-N 1 0 383.334 2.877 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(Br)cc3[nH]c(=O)[nH]c32)C[C@@H]1C ZINC000669064251 565675785 /nfs/dbraw/zinc/67/57/85/565675785.db2.gz ILACRZDTLDQSAV-CMPLNLGQSA-N 1 0 395.301 2.976 20 0 GFADRO C[C@@H]1COCC[N@@H+]1C1CCN(C(=O)Cc2cccc(Br)c2)CC1 ZINC000647764451 565675989 /nfs/dbraw/zinc/67/59/89/565675989.db2.gz ZCLPMXMDTUOITA-CQSZACIVSA-N 1 0 381.314 2.703 20 0 GFADRO C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1ccn(-c2cccc(Br)c2)n1 ZINC000647833205 565679199 /nfs/dbraw/zinc/67/91/99/565679199.db2.gz LITUEZZMLHIQGI-LRDDRELGSA-N 1 0 377.286 2.799 20 0 GFADRO CC(=O)NC[C@H]1CCCC[N@@H+]1CCC(=O)Nc1ccccc1Br ZINC000626157658 565679607 /nfs/dbraw/zinc/67/96/07/565679607.db2.gz YUGMOUSTWNWETG-CQSZACIVSA-N 1 0 382.302 2.768 20 0 GFADRO COC(=O)CCCC[N@@H+]1C[C@H](C(=O)OC)[C@@H](c2ccc(Br)cc2)C1 ZINC000599440611 565679678 /nfs/dbraw/zinc/67/96/78/565679678.db2.gz XQUNDULKKOKUKD-CVEARBPZSA-N 1 0 398.297 2.981 20 0 GFADRO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]([C@H](C)c2cccc(Br)c2)C1 ZINC000626168197 565681605 /nfs/dbraw/zinc/68/16/05/565681605.db2.gz MQNDTEDUSOZBPS-CHWSQXEVSA-N 1 0 375.332 2.771 20 0 GFADRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1ccc(OC(F)(F)F)c(Cl)c1 ZINC000626200974 565682682 /nfs/dbraw/zinc/68/26/82/565682682.db2.gz IRJLBIXNJJWKHS-GFCCVEGCSA-N 1 0 380.794 2.815 20 0 GFADRO O=C(NC[C@@H]1CCN(c2cccc(Br)c2)C1)NC[C@@H]1CCCC[NH2+]1 ZINC000669411045 565688294 /nfs/dbraw/zinc/68/82/94/565688294.db2.gz SQDPOGDBLZOHTM-HOCLYGCPSA-N 1 0 395.345 2.717 20 0 GFADRO CC[C@H](CNC(=O)N1CCO[C@H]([C@H](C)[NH3+])C1)Cc1cccc(Br)c1 ZINC000669489585 565690446 /nfs/dbraw/zinc/69/04/46/565690446.db2.gz RYYPBOIZROEQGG-ZQIUZPCESA-N 1 0 398.345 2.775 20 0 GFADRO O=C(NCC1(c2cccc(Br)c2)CC1)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000669484659 565690532 /nfs/dbraw/zinc/69/05/32/565690532.db2.gz ILROVVFNMMQQCJ-CJNGLKHVSA-N 1 0 378.314 2.874 20 0 GFADRO CC[C@@H]1CN(C(=O)C[C@@H](NC(C)=O)c2ccc(Br)cc2)CC[C@H]1[NH3+] ZINC000648125074 565690853 /nfs/dbraw/zinc/69/08/53/565690853.db2.gz IUKBVEYFFPDEON-KBRIMQKVSA-N 1 0 396.329 2.602 20 0 GFADRO CN1CCOC[C@@H]1CNC(=O)Nc1cc(Br)cc(C(F)(F)F)c1 ZINC000626409100 565691752 /nfs/dbraw/zinc/69/17/52/565691752.db2.gz WLSMCJBWXFFVST-LBPRGKRZSA-N 1 0 396.207 2.920 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)c(C)c1C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000648141257 565692198 /nfs/dbraw/zinc/69/21/98/565692198.db2.gz VJFLICJGUAJXIH-KBPBESRZSA-N 1 0 395.276 2.681 20 0 GFADRO COC(=O)c1cc(NC(=O)N[C@H]2CC[C@H](C)[NH2+]C2)cc(Br)c1F ZINC000599606544 565692259 /nfs/dbraw/zinc/69/22/59/565692259.db2.gz NIEMCNBPDUFTFF-IUCAKERBSA-N 1 0 388.237 2.637 20 0 GFADRO COC(=O)c1cccc(NC(=O)N2CC[NH2+]C[C@H]2C(C)C)c1Br ZINC000599607440 565692373 /nfs/dbraw/zinc/69/23/73/565692373.db2.gz YAHRAZOLHJLWJY-ZDUSSCGKSA-N 1 0 384.274 2.697 20 0 GFADRO O=C(NCc1cnn(-c2ccc(Br)cc2)c1)N[C@@H]1CCC[NH2+]CC1 ZINC000669571666 565693076 /nfs/dbraw/zinc/69/30/76/565693076.db2.gz FFUVHLFSTNTRKM-OAHLLOKOSA-N 1 0 392.301 2.576 20 0 GFADRO O=C(NCc1cc2cc(Br)ccc2[nH]1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000669562095 565693160 /nfs/dbraw/zinc/69/31/60/565693160.db2.gz ANLMLWQQSOYWFE-MEDUHNTESA-N 1 0 377.286 2.824 20 0 GFADRO COc1cc(Br)ccc1[C@H](C)NC(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000669567881 565693164 /nfs/dbraw/zinc/69/31/64/565693164.db2.gz WKUVYTUKOACANH-HUBLWGQQSA-N 1 0 382.302 2.912 20 0 GFADRO O=C(N[C@@H]1COc2cc(F)c(Br)cc21)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000669581060 565693186 /nfs/dbraw/zinc/69/31/86/565693186.db2.gz CULHJTZMQIBWQD-QMTHXVAHSA-N 1 0 384.249 2.558 20 0 GFADRO COCC[C@H](NC(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1)c1ccc(Cl)c(Cl)c1 ZINC000669582764 565694613 /nfs/dbraw/zinc/69/46/13/565694613.db2.gz QMDGGXIROIUJCS-KNXALSJPSA-N 1 0 390.311 2.829 20 0 GFADRO Cc1ncc([C@@H](C)[NH2+]CCNS(=O)(=O)c2ccc(Cl)cc2F)s1 ZINC000669618725 565695300 /nfs/dbraw/zinc/69/53/00/565695300.db2.gz AXVOCJWZBBOKFR-SECBINFHSA-N 1 0 377.894 2.873 20 0 GFADRO Cc1ncc([C@H](C)[NH2+]CCNS(=O)(=O)c2ccc(Cl)cc2F)s1 ZINC000669618726 565696212 /nfs/dbraw/zinc/69/62/12/565696212.db2.gz AXVOCJWZBBOKFR-VIFPVBQESA-N 1 0 377.894 2.873 20 0 GFADRO Cc1cc(C)c(NC(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)cc1Br ZINC000626517872 565697112 /nfs/dbraw/zinc/69/71/12/565697112.db2.gz HCHSQKLOFZVFKO-HNNXBMFYSA-N 1 0 397.317 2.527 20 0 GFADRO C[NH+](C)CCn1cc(NC(=O)[C@H]2CCc3cc(Br)ccc32)cn1 ZINC000648269738 565699504 /nfs/dbraw/zinc/69/95/04/565699504.db2.gz BKLCMTVULCMCLK-INIZCTEOSA-N 1 0 377.286 2.876 20 0 GFADRO O=C(N[C@H]1CCOc2c(Br)cccc21)[C@H]1CCc2nccn2C1 ZINC000669727267 565700343 /nfs/dbraw/zinc/70/03/43/565700343.db2.gz FKYTUOGYBSDMHL-FZMZJTMJSA-N 1 0 376.254 2.848 20 0 GFADRO CC(C)[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000669907106 565706977 /nfs/dbraw/zinc/70/69/77/565706977.db2.gz PTCIBQNQPIJLJK-DETPVDSQSA-N 1 0 383.945 2.755 20 0 GFADRO O=C(c1n[nH]c2ccc(Br)cc21)N1CCN(c2cc[nH+]cc2)CC1 ZINC000599966721 565708798 /nfs/dbraw/zinc/70/87/98/565708798.db2.gz CRRPZBWMZGCVCM-UHFFFAOYSA-N 1 0 386.253 2.683 20 0 GFADRO C[C@H](CCNS(=O)(=O)c1ccccc1)[NH2+]Cc1nc2c(s1)CCCC2 ZINC000669999112 565710251 /nfs/dbraw/zinc/71/02/51/565710251.db2.gz GLMOWWNVKPFAKH-CQSZACIVSA-N 1 0 379.551 2.869 20 0 GFADRO Cn1nc2cc(Br)ccc2c1C(=O)NC(C)(C)C[NH+]1CCCC1 ZINC000648414193 565712299 /nfs/dbraw/zinc/71/22/99/565712299.db2.gz OHJLRTQZNSOJDT-UHFFFAOYSA-N 1 0 379.302 2.940 20 0 GFADRO CSc1ccc(NC(=O)C(=O)N[C@@H]2CC[NH2+]C23CCC3)cc1Br ZINC000626852522 565712800 /nfs/dbraw/zinc/71/28/00/565712800.db2.gz KBFLKZHBBKGMMS-CYBMUJFWSA-N 1 0 398.326 2.510 20 0 GFADRO Cc1ccc(NC(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1Cl ZINC000626860923 565712807 /nfs/dbraw/zinc/71/28/07/565712807.db2.gz DXQMLBRZELOVNO-PWSUYJOCSA-N 1 0 377.794 2.573 20 0 GFADRO Cc1ccc(NC(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1Cl ZINC000626860921 565713228 /nfs/dbraw/zinc/71/32/28/565713228.db2.gz DXQMLBRZELOVNO-CMPLNLGQSA-N 1 0 377.794 2.573 20 0 GFADRO Cc1ccc(Cl)c(NC(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)c1 ZINC000626861291 565713351 /nfs/dbraw/zinc/71/33/51/565713351.db2.gz NHVKMYGUQZMBRE-GHMZBOCLSA-N 1 0 377.794 2.573 20 0 GFADRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)Nc1ccc(Br)c2ccccc12 ZINC000626863334 565714225 /nfs/dbraw/zinc/71/42/25/565714225.db2.gz GXHIJPMEVRBTCG-GOEBONIOSA-N 1 0 390.281 2.798 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)C(=O)Nc2cc(Cl)ccc2Cl)CC[C@H]1C(F)(F)F ZINC000626861302 565714323 /nfs/dbraw/zinc/71/43/23/565714323.db2.gz NISBTWYQWDXMMD-WCBMZHEXSA-N 1 0 398.212 2.918 20 0 GFADRO C[C@H](NC(=O)N[C@H]1CC[C@@H](C)[NH2+]C1)c1cc2c(cc1Br)OCCO2 ZINC000626943382 565716114 /nfs/dbraw/zinc/71/61/14/565716114.db2.gz CYLQFHKREBWWNK-WOPDTQHZSA-N 1 0 398.301 2.721 20 0 GFADRO C[C@@H](CNC(=O)N[C@@H]1CC[NH2+]C12CCC2)Oc1ccccc1Br ZINC000626993364 565718087 /nfs/dbraw/zinc/71/80/87/565718087.db2.gz GFDQSIOQAVVNNT-SWLSCSKDSA-N 1 0 382.302 2.800 20 0 GFADRO CC[C@H](Cc1ccccc1Br)NC(=O)N(C)CCOCC[NH2+]C ZINC000627000873 565719256 /nfs/dbraw/zinc/71/92/56/565719256.db2.gz VORAICOEWFKDSU-OAHLLOKOSA-N 1 0 386.334 2.648 20 0 GFADRO CC[C@@H](NC(=O)N(C)CCOCC[NH2+]C)c1cc(F)cc(Br)c1 ZINC000627016726 565719961 /nfs/dbraw/zinc/71/99/61/565719961.db2.gz UPCJMQZLGJNSTE-OAHLLOKOSA-N 1 0 390.297 2.917 20 0 GFADRO C[NH2+]CCOCCN(C)C(=O)N[C@H]1C[C@H](c2ccc(Br)cc2)C1 ZINC000627041977 565720858 /nfs/dbraw/zinc/72/08/58/565720858.db2.gz UTEPKEKYZYNMIX-KOMQPUFPSA-N 1 0 384.318 2.573 20 0 GFADRO C[C@]1(CNC(=O)NCc2ccc(Br)c(F)c2F)CCC[NH2+]C1 ZINC000627082831 565720997 /nfs/dbraw/zinc/72/09/97/565720997.db2.gz AHVZPBBLWXPUHU-HNNXBMFYSA-N 1 0 376.245 2.916 20 0 GFADRO COCC[NH2+]CCNC(=O)N1C[C@H](c2ccc(Br)cc2)C[C@@H]1C ZINC000627083893 565722061 /nfs/dbraw/zinc/72/20/61/565722061.db2.gz WYNZJFGUWFWWPK-DZGCQCFKSA-N 1 0 384.318 2.573 20 0 GFADRO C[C@@H]1[C@H](C(=O)Nc2cc(Br)ccc2N2CCOCC2)CC[N@@H+]1C ZINC000648717274 565723199 /nfs/dbraw/zinc/72/31/99/565723199.db2.gz QSDXKHYOLAKTFD-TZMCWYRMSA-N 1 0 382.302 2.564 20 0 GFADRO C[C@@H]1C[C@H](c2ccc(Br)cc2)CN1C(=O)NCC1([NH3+])CCOCC1 ZINC000627146635 565723869 /nfs/dbraw/zinc/72/38/69/565723869.db2.gz BHQFSFIGHDWZCC-HIFRSBDPSA-N 1 0 396.329 2.844 20 0 GFADRO CCN(Cc1cc(Br)ccc1F)C(=O)NCC1([NH3+])CCOCC1 ZINC000627155021 565724014 /nfs/dbraw/zinc/72/40/14/565724014.db2.gz RYHMTLNODKDZQE-UHFFFAOYSA-N 1 0 388.281 2.628 20 0 GFADRO C[C@@H](CC(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C)n1cc(Br)cn1 ZINC000648719143 565723931 /nfs/dbraw/zinc/72/39/31/565723931.db2.gz ZPPSZGCPSKKOQM-WMLDXEAASA-N 1 0 393.329 2.886 20 0 GFADRO C[C@@H](Sc1cc(Cl)ccc1Cl)C(=O)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000670447284 565724213 /nfs/dbraw/zinc/72/42/13/565724213.db2.gz PSKBMKHEBUYJOH-OCCSQVGLSA-N 1 0 388.364 2.980 20 0 GFADRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCO[C@H](c2cccc(Br)c2)C1 ZINC000627168813 565724483 /nfs/dbraw/zinc/72/44/83/565724483.db2.gz HWOFKBYTYXHTKV-XHSDSOJGSA-N 1 0 382.302 2.673 20 0 GFADRO C[C@@H]1[C@H](C(=O)N2CCN(C(=O)c3c(Cl)cccc3Cl)CC2)CC[N@@H+]1C ZINC000648744653 565725639 /nfs/dbraw/zinc/72/56/39/565725639.db2.gz QOMCFZQKBILBMO-CHWSQXEVSA-N 1 0 384.307 2.618 20 0 GFADRO CC(C)C[C@](C)(NC(=O)NC[C@H]1COCC[NH2+]1)c1cccc(Br)c1 ZINC000627189632 565726103 /nfs/dbraw/zinc/72/61/03/565726103.db2.gz WNBZEXYDDKDHKN-WMZOPIPTSA-N 1 0 398.345 2.998 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000648758171 565727157 /nfs/dbraw/zinc/72/71/57/565727157.db2.gz HOQRGKQIUPZKMQ-TZMCWYRMSA-N 1 0 382.302 2.543 20 0 GFADRO CC[C@@H]1Cc2c(Br)cccc2CN1C(=O)NCCOCCC[NH3+] ZINC000627217808 565727547 /nfs/dbraw/zinc/72/75/47/565727547.db2.gz VDAOPYLJJJHZEQ-CQSZACIVSA-N 1 0 384.318 2.661 20 0 GFADRO CC[N@@H+]1CCCC[C@H]1CNC(=O)c1c2ccc(Br)cc2nn1C ZINC000648778757 565728032 /nfs/dbraw/zinc/72/80/32/565728032.db2.gz MOLYCALOACQNPT-ZDUSSCGKSA-N 1 0 379.302 2.940 20 0 GFADRO O=C(CCCc1ccc(Br)s1)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000627254179 565728054 /nfs/dbraw/zinc/72/80/54/565728054.db2.gz PJLBSSISYFSVJP-STQMWFEESA-N 1 0 387.343 2.501 20 0 GFADRO O=C(c1cnc(-c2ccccc2Cl)s1)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000627257868 565728943 /nfs/dbraw/zinc/72/89/43/565728943.db2.gz PHHUVKQPSSSBGM-OLZOCXBDSA-N 1 0 377.897 2.745 20 0 GFADRO C[C@@H]1[C@H](C(=O)N2CCN(Cc3ccc(Br)c(F)c3)CC2)CC[N@@H+]1C ZINC000648831165 565733708 /nfs/dbraw/zinc/73/37/08/565733708.db2.gz ONFHNSZWXJZEGZ-UKRRQHHQSA-N 1 0 398.320 2.573 20 0 GFADRO C[C@H](NC(=O)C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1)c1ccsc1 ZINC000670625612 565735449 /nfs/dbraw/zinc/73/54/49/565735449.db2.gz NYEPUKGVBGQGCT-DZGCQCFKSA-N 1 0 377.535 2.940 20 0 GFADRO Cc1cn2c(n1)C[C@H](C(=O)N[C@H](CO)c1ccc(Br)c(F)c1)CC2 ZINC000627505531 565738470 /nfs/dbraw/zinc/73/84/70/565738470.db2.gz SHAIDWGYKHZMJD-IUODEOHRSA-N 1 0 396.260 2.505 20 0 GFADRO CCCN(C(=O)c1cc(Br)c2c(c1)OCCO2)[C@@H]1CC[N@H+](C)C1 ZINC000649001573 565744002 /nfs/dbraw/zinc/74/40/02/565744002.db2.gz OULRBBUHNWDODN-CYBMUJFWSA-N 1 0 383.286 2.777 20 0 GFADRO C[NH+](C)[C@@H]1[C@H]2CN(C(=O)c3coc(-c4ccc(Br)cc4F)n3)C[C@H]21 ZINC000627653931 565745175 /nfs/dbraw/zinc/74/51/75/565745175.db2.gz HUKQHYXKDVJICY-JYAVWHMHSA-N 1 0 394.244 2.875 20 0 GFADRO C[NH+](C)[C@@H]1[C@H]2CN(C(=O)CCCC(=O)c3ccc(Br)cc3)C[C@H]21 ZINC000627654674 565745300 /nfs/dbraw/zinc/74/53/00/565745300.db2.gz KONAUMDPARUQOE-HWWDLCQESA-N 1 0 379.298 2.821 20 0 GFADRO CCSc1ccc(CN2CCC[NH2+]C[C@@H]2C(=O)OC)c(Br)c1 ZINC000600712610 565745857 /nfs/dbraw/zinc/74/58/57/565745857.db2.gz YTUFUWMSVCIUKX-OAHLLOKOSA-N 1 0 387.343 2.898 20 0 GFADRO CN([C@@H]1CC[N@@H+](C2CC2)C1)S(=O)(=O)Cc1ccc(OC(F)(F)F)cc1 ZINC000600782655 565748901 /nfs/dbraw/zinc/74/89/01/565748901.db2.gz BLPJAZIUTHIKDE-CQSZACIVSA-N 1 0 378.416 2.584 20 0 GFADRO O=C(c1cccc(Br)c1F)N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000627741607 565749418 /nfs/dbraw/zinc/74/94/18/565749418.db2.gz OPDRYEPBSISHBD-UHFFFAOYSA-N 1 0 385.277 2.915 20 0 GFADRO Cc1ccc(Br)cc1CC(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000649140665 565750981 /nfs/dbraw/zinc/75/09/81/565750981.db2.gz JBUYMJKDWLOOSS-QGZVFWFLSA-N 1 0 381.314 2.670 20 0 GFADRO CC[C@@H](Cn1cncn1)[NH2+]C[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000671116939 565752416 /nfs/dbraw/zinc/75/24/16/565752416.db2.gz XVOKEKWNAKQZTQ-HOCLYGCPSA-N 1 0 378.318 2.935 20 0 GFADRO CC[C@H](c1ccc(Br)cc1)N1CCN(C(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC000649322180 565758025 /nfs/dbraw/zinc/75/80/25/565758025.db2.gz DALSQDAWWABTFR-XDNAFOTISA-N 1 0 392.341 2.510 20 0 GFADRO CC[C@@H]1CN(Cc2csc(-c3ccc(S(C)(=O)=O)cc3)n2)CC[C@H]1[NH3+] ZINC000649416734 565761110 /nfs/dbraw/zinc/76/11/10/565761110.db2.gz KCWOYPARGDOPFW-CXAGYDPISA-N 1 0 379.551 2.773 20 0 GFADRO O=C1CCCN1[C@@H]1CCC[N@@H+](C[C@H](O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000601071058 565766171 /nfs/dbraw/zinc/76/61/71/565766171.db2.gz ZCROGNWOVJXNNE-KGLIPLIRSA-N 1 0 387.307 2.820 20 0 GFADRO O[C@H](COc1cc(F)cc(Br)c1)C[NH+]1CCC(C2(O)CC2)CC1 ZINC000649671497 565772503 /nfs/dbraw/zinc/77/25/03/565772503.db2.gz YOCSDMSQRKPULD-HNNXBMFYSA-N 1 0 388.277 2.565 20 0 GFADRO C[NH+](C)C[C@H]1COC2(CCCC2)CN1C(=O)c1cc(O)cc(Br)c1 ZINC000628157798 565777450 /nfs/dbraw/zinc/77/74/50/565777450.db2.gz VTYLQSYLZMRSAS-HNNXBMFYSA-N 1 0 397.313 2.870 20 0 GFADRO O[C@H](COc1ccc(Cl)c(Cl)c1)C[NH+]1CCC(Cn2cnnc2)CC1 ZINC000649789249 565779055 /nfs/dbraw/zinc/77/90/55/565779055.db2.gz QSKMYTQVMBZZON-AWEZNQCLSA-N 1 0 385.295 2.737 20 0 GFADRO C[C@@H](O)C[N@H+](C)Cc1cc(Cl)cc(Cl)c1OCCN1CCOCC1 ZINC000628238226 565780032 /nfs/dbraw/zinc/78/00/32/565780032.db2.gz QMNBUIWGPTVSOQ-CYBMUJFWSA-N 1 0 377.312 2.517 20 0 GFADRO COc1cc(Cl)ccc1S(=O)(=O)N1CC(N(C)Cc2ccccc2)C1 ZINC000671697744 565780956 /nfs/dbraw/zinc/78/09/56/565780956.db2.gz IXMZKHDQCHSPOB-UHFFFAOYSA-N 1 0 380.897 2.854 20 0 GFADRO COCC[N@@H+]1CCN(C[C@H](O)COc2cc(Cl)ccc2Cl)C(C)(C)C1 ZINC000649848360 565781193 /nfs/dbraw/zinc/78/11/93/565781193.db2.gz NGDCVGMEYWZGIR-HNNXBMFYSA-N 1 0 391.339 2.776 20 0 GFADRO C[C@H](CO)[N@H+](C)Cc1cc(Cl)cc(Cl)c1OCCN1CCOCC1 ZINC000628279023 565782058 /nfs/dbraw/zinc/78/20/58/565782058.db2.gz QUIAHAULDUXGAJ-CYBMUJFWSA-N 1 0 377.312 2.517 20 0 GFADRO CC[C@H]([NH2+]Cc1cc(Cl)cc(Cl)c1OCCN1CCOCC1)[C@@H](C)O ZINC000628299376 565783463 /nfs/dbraw/zinc/78/34/63/565783463.db2.gz NGYXXABVAROQCB-DYVFJYSZSA-N 1 0 391.339 2.953 20 0 GFADRO CS[C@@H]1CN(C(=O)c2sc([C@@H]3CCOC3)nc2C)C[C@@H]1[NH+]1CCCC1 ZINC000601436912 565783982 /nfs/dbraw/zinc/78/39/82/565783982.db2.gz MGLQSWHDYYWVIE-QLFBSQMISA-N 1 0 381.567 2.607 20 0 GFADRO CO[C@@H]1CCC[C@H]([NH2+]CCNS(=O)(=O)c2cccc(Cl)c2Cl)C1 ZINC000671725635 565784262 /nfs/dbraw/zinc/78/42/62/565784262.db2.gz ZPRLZGFQMAEFBD-NWDGAFQWSA-N 1 0 381.325 2.819 20 0 GFADRO Brc1ccc(-c2n[nH]cc2CN2CC[NH+]([C@@H]3CCOC3)CC2)s1 ZINC000628338670 565784420 /nfs/dbraw/zinc/78/44/20/565784420.db2.gz SJLKICGBQNJINK-CYBMUJFWSA-N 1 0 397.342 2.807 20 0 GFADRO O=C(c1ccc(I)c(F)c1)N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000601555277 565791046 /nfs/dbraw/zinc/79/10/46/565791046.db2.gz CUEOPKMRBSWWEI-RISCZKNCSA-N 1 0 388.224 2.644 20 0 GFADRO O=C(c1c(F)cccc1I)N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000601555337 565791242 /nfs/dbraw/zinc/79/12/42/565791242.db2.gz DVAAQAXXBOIXSJ-ZWNOBZJWSA-N 1 0 388.224 2.644 20 0 GFADRO C[C@@H]1C[C@H]([NH3+])CN1C(=O)Nc1ccc(Cl)cc1I ZINC000601557458 565791574 /nfs/dbraw/zinc/79/15/74/565791574.db2.gz BEAMISZUYCMWSD-APPZFPTMSA-N 1 0 379.629 2.898 20 0 GFADRO CNS(=O)(=O)C[C@H]1CCC[N@H+](Cc2cc(C)c(C)cc2OC(F)F)C1 ZINC000628495835 565791982 /nfs/dbraw/zinc/79/19/82/565791982.db2.gz BFAYJAJMZQPHAI-AWEZNQCLSA-N 1 0 376.469 2.666 20 0 GFADRO C[C@H]1C[C@H]([NH3+])CN1C(=O)Nc1ccc(I)cc1Cl ZINC000601568806 565792345 /nfs/dbraw/zinc/79/23/45/565792345.db2.gz VKBHPGSOTWVRSQ-CBAPKCEASA-N 1 0 379.629 2.898 20 0 GFADRO C[C@@H]1C[C@H]([NH3+])CN1C(=O)Nc1cc(F)c(F)cc1I ZINC000601562364 565792416 /nfs/dbraw/zinc/79/24/16/565792416.db2.gz SPGHNLAQBRHYQJ-RQJHMYQMSA-N 1 0 381.164 2.523 20 0 GFADRO C[C@@H](O)C[N@@H+]1CCN(c2ccc(-c3ccc(Br)s3)nn2)[C@@H](C)C1 ZINC000672254023 565801122 /nfs/dbraw/zinc/80/11/22/565801122.db2.gz SVYOKHJEHIZNFF-NWDGAFQWSA-N 1 0 397.342 2.859 20 0 GFADRO COCC[NH+](CCOC)C1CCN(c2ncc(C)cc2Br)CC1 ZINC000672330156 565803155 /nfs/dbraw/zinc/80/31/55/565803155.db2.gz LPBARDKJYCNBMF-UHFFFAOYSA-N 1 0 386.334 2.716 20 0 GFADRO COc1ccc(C(=O)N2CCC(OCC[NH+](C)C)CC2)c(Br)c1 ZINC000601830632 565805614 /nfs/dbraw/zinc/80/56/14/565805614.db2.gz XYQHUPIJZVTLRL-UHFFFAOYSA-N 1 0 385.302 2.641 20 0 GFADRO C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)NC[C@@H]1CCCC[N@H+](C)C1 ZINC000628746116 565806005 /nfs/dbraw/zinc/80/60/05/565806005.db2.gz WVUZHEUPPFGQHG-OLZOCXBDSA-N 1 0 386.323 2.960 20 0 GFADRO C[C@H](NC(=O)Nc1cccc2cc(Br)cnc21)[C@@H]1CN(C)CCO1 ZINC000672774793 565815920 /nfs/dbraw/zinc/81/59/20/565815920.db2.gz RTEIDCCFILLQIS-NHYWBVRUSA-N 1 0 393.285 2.838 20 0 GFADRO O=C1CC[C@@H]([NH2+]Cc2ccc(Cl)cc2I)CCN1 ZINC000602015994 565816340 /nfs/dbraw/zinc/81/63/40/565816340.db2.gz CCVJFVGLVNJMJO-LLVKDONJSA-N 1 0 378.641 2.703 20 0 GFADRO C[NH+](C)C[C@@H](NC(=O)COC[C@@H]1CCCO1)c1ccc(Cl)c(Cl)c1 ZINC000628968177 565817542 /nfs/dbraw/zinc/81/75/42/565817542.db2.gz FMWQXDIUEIOGSP-XJKSGUPXSA-N 1 0 375.296 2.908 20 0 GFADRO Cc1nc(SCC(=O)N[C@@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)n[nH]1 ZINC000628969354 565817607 /nfs/dbraw/zinc/81/76/07/565817607.db2.gz SFCMXFFIUSJZDA-ZDUSSCGKSA-N 1 0 388.324 2.931 20 0 GFADRO CC[N@@H+]1CCN(C(=O)Nc2ccc3nccnc3c2Br)C[C@H]1C ZINC000672815760 565818164 /nfs/dbraw/zinc/81/81/64/565818164.db2.gz WOTMXMKYZWGEGT-LLVKDONJSA-N 1 0 378.274 2.950 20 0 GFADRO COC(=O)C[C@@H](NC(=O)C1(C[NH+](C)C)CC1)c1cccc(Br)c1 ZINC000602083157 565822407 /nfs/dbraw/zinc/82/24/07/565822407.db2.gz KFOFAUBNBPRPCX-CQSZACIVSA-N 1 0 383.286 2.511 20 0 GFADRO O=C(NCCCCc1ccc(Cl)s1)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000673064457 565826162 /nfs/dbraw/zinc/82/61/62/565826162.db2.gz GCVIHBIUGWUNDR-HOTGVXAUSA-N 1 0 385.961 2.965 20 0 GFADRO CC(C)(COc1cc(Cl)cc(Cl)c1)C(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000629169822 565827220 /nfs/dbraw/zinc/82/72/20/565827220.db2.gz OTFOPAOMKSRDCR-CQSZACIVSA-N 1 0 375.296 2.581 20 0 GFADRO Cc1cccc(C(=O)N[C@H]2C[C@@H]([NH+]3CCCC3)C2)c1I ZINC000602172705 565828106 /nfs/dbraw/zinc/82/81/06/565828106.db2.gz PAVJZGIOSYAVNK-BETUJISGSA-N 1 0 384.261 2.956 20 0 GFADRO CC[C@H](Cc1ccccc1Br)C(=O)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000673513078 565838358 /nfs/dbraw/zinc/83/83/58/565838358.db2.gz OYTFQBLSHLQRSI-DJIMGWMZSA-N 1 0 395.341 2.685 20 0 GFADRO CCCC[N@H+](C)C[C@H](C)Nc1c(F)cc(S(N)(=O)=O)cc1Br ZINC000673523664 565838390 /nfs/dbraw/zinc/83/83/90/565838390.db2.gz CDGKLFNNRDVPAF-JTQLQIEISA-N 1 0 396.326 2.768 20 0 GFADRO Cc1c2cc(Br)ccc2oc1C(=O)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000673519000 565838597 /nfs/dbraw/zinc/83/85/97/565838597.db2.gz SIFLWCRXPTVBCV-KBPBESRZSA-N 1 0 393.281 2.785 20 0 GFADRO O=C(Cc1csc(-c2ccccc2Cl)n1)N[C@H](CO)C[NH+]1CCCC1 ZINC000673529697 565839120 /nfs/dbraw/zinc/83/91/20/565839120.db2.gz BHTOTKVLCMUMFW-AWEZNQCLSA-N 1 0 379.913 2.579 20 0 GFADRO O=C1CCC[C@H](C[NH2+]Cc2cc(Br)cc(Br)c2)N1 ZINC000673607992 565843286 /nfs/dbraw/zinc/84/32/86/565843286.db2.gz RCHDZYVIDHPTNK-GFCCVEGCSA-N 1 0 376.092 2.970 20 0 GFADRO C[N@@H+]1CCC[C@H](NC(=O)Nc2cc(Br)ccc2-n2cccn2)C1 ZINC000673762774 565845388 /nfs/dbraw/zinc/84/53/88/565845388.db2.gz WQIKLKBSTRNJIY-ZDUSSCGKSA-N 1 0 378.274 2.851 20 0 GFADRO C[C@@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)Cn1cc(Br)cn1 ZINC000673749401 565846073 /nfs/dbraw/zinc/84/60/73/565846073.db2.gz IBHZYGIVNWQZMJ-OAHLLOKOSA-N 1 0 391.313 2.769 20 0 GFADRO C[N@H+](CCNC(=O)NCCNc1ncc(C(F)(F)F)cc1Cl)C1CC1 ZINC000602411163 565846379 /nfs/dbraw/zinc/84/63/79/565846379.db2.gz WTUFVYAQZGHSLV-UHFFFAOYSA-N 1 0 379.814 2.559 20 0 GFADRO C[NH2+][C@@H]1CCN(C(=O)c2cc(C)c(Cl)cc2I)C1 ZINC000602424281 565847641 /nfs/dbraw/zinc/84/76/41/565847641.db2.gz ITNPZFWYMIHREV-SECBINFHSA-N 1 0 378.641 2.687 20 0 GFADRO [NH3+]C[C@H]1CC[C@H](NC(=O)c2c(F)cccc2I)CC1 ZINC000602599495 565856489 /nfs/dbraw/zinc/85/64/89/565856489.db2.gz QMORZRZLEGMOFM-MGCOHNPYSA-N 1 0 376.213 2.678 20 0 GFADRO C[N@@H+]1CC[C@H](Cn2nnnc2Sc2ccc(-c3ccc(Cl)s3)nn2)C1 ZINC000651333095 565857479 /nfs/dbraw/zinc/85/74/79/565857479.db2.gz YIXTXUOZZPDPAK-JTQLQIEISA-N 1 0 393.929 2.948 20 0 GFADRO [NH3+]C[C@H]1CN(CC(=O)Nc2ccc(Br)cc2)CC[C@@H]1C(F)(F)F ZINC000629564494 565859253 /nfs/dbraw/zinc/85/92/53/565859253.db2.gz LNQPPJKNOHAMST-GWCFXTLKSA-N 1 0 394.235 2.847 20 0 GFADRO O[C@@H](CNCc1cc(Br)ccc1Br)C[NH+]1CCCC1 ZINC000629575635 565860340 /nfs/dbraw/zinc/86/03/40/565860340.db2.gz JUDUIRZNMKUNKY-ZDUSSCGKSA-N 1 0 392.135 2.758 20 0 GFADRO Cn1ncc(C(F)(F)F)c1C[NH2+]C[C@@H](O)COCc1ccccc1Cl ZINC000629586677 565860485 /nfs/dbraw/zinc/86/04/85/565860485.db2.gz BEULBZUVWMRTCV-GFCCVEGCSA-N 1 0 377.794 2.760 20 0 GFADRO O[C@H](C[NH2+]C[C@H]1CCN1C1CCCC1)COc1ccc(Br)cc1 ZINC000629604191 565864147 /nfs/dbraw/zinc/86/41/47/565864147.db2.gz STKRNJOBMQPIJB-IAGOWNOFSA-N 1 0 383.330 2.795 20 0 GFADRO O[C@H](C[NH2+][C@@H]1CO[C@@H](C2CC2)C1)COc1ccc(Cl)cc1Br ZINC000629606289 565864226 /nfs/dbraw/zinc/86/42/26/565864226.db2.gz BVWDEGRHEXQGRM-WOSRLPQWSA-N 1 0 390.705 2.999 20 0 GFADRO CCOC(=O)[C@@]1(C)CCC[C@H]1[NH2+]Cc1cnn2cc(Br)cnc12 ZINC000602723018 565865159 /nfs/dbraw/zinc/86/51/59/565865159.db2.gz PRQGDFWSRFJMHT-CJNGLKHVSA-N 1 0 381.274 2.703 20 0 GFADRO C[N@H+](CC(=O)N1CCc2cc(F)cc(Br)c2C1)[C@@H]1CCSC1 ZINC000629741139 565867328 /nfs/dbraw/zinc/86/73/28/565867328.db2.gz RVKMEKKSUBMCKP-CYBMUJFWSA-N 1 0 387.318 2.910 20 0 GFADRO CC(C)CN(CC[NH+](C)C)C(=O)c1cc(=O)c2cc(Br)ccc2[nH]1 ZINC000602768167 565868064 /nfs/dbraw/zinc/86/80/64/565868064.db2.gz XLKUWEVBKDTPNS-UHFFFAOYSA-N 1 0 394.313 2.950 20 0 GFADRO Cc1ncc(CNC(=O)CC[N@@H+](C)[C@@H](C)c2ccc([S@](C)=O)cc2)s1 ZINC000602784938 565868377 /nfs/dbraw/zinc/86/83/77/565868377.db2.gz UHGPKCSUIRYPJX-CANCMXDXSA-N 1 0 379.551 2.888 20 0 GFADRO COC1CC[NH+](CCNC(=O)N[C@@H]2C[C@@H]2c2cccc(Br)c2)CC1 ZINC000674328467 565868553 /nfs/dbraw/zinc/86/85/53/565868553.db2.gz PSGYFEMEEVMBJK-IAGOWNOFSA-N 1 0 396.329 2.715 20 0 GFADRO C[NH+](C)C(C)(C)CNC(=O)C(=O)Nc1cc(Br)c(F)cc1Cl ZINC000674403299 565872307 /nfs/dbraw/zinc/87/23/07/565872307.db2.gz CVUOMGDTMIEBBQ-UHFFFAOYSA-N 1 0 394.672 2.637 20 0 GFADRO Cc1onc(-c2ccc(Cl)c(Cl)c2)c1C(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000629915557 565875498 /nfs/dbraw/zinc/87/54/98/565875498.db2.gz CNJAMADVZJTKJD-LBPRGKRZSA-N 1 0 384.263 2.753 20 0 GFADRO O=C(NCC[N@H+]1CC[C@H](O)C1)[C@@H]1CCCO[C@@H]1c1ccc(Cl)cc1Cl ZINC000629915424 565875839 /nfs/dbraw/zinc/87/58/39/565875839.db2.gz IEKNYXIGBHRCIX-YSVLISHTSA-N 1 0 387.307 2.644 20 0 GFADRO CC[NH+](CC)CCO[C@@H]1CCN(S(=O)(=O)c2ccc(Cl)c(F)c2)C1 ZINC000651588014 565876271 /nfs/dbraw/zinc/87/62/71/565876271.db2.gz DBWMQEFNERWUSA-CYBMUJFWSA-N 1 0 378.897 2.601 20 0 GFADRO C[NH+](C)[C@@]1(CNC(=O)N2C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C2)CCSC1 ZINC000674639788 565878846 /nfs/dbraw/zinc/87/88/46/565878846.db2.gz YMSKWSAVAAZXBY-JFGNBEQYSA-N 1 0 393.397 2.806 20 0 GFADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)Nc3cscc3Br)C2)CC1 ZINC000603012423 565878848 /nfs/dbraw/zinc/87/88/48/565878848.db2.gz IPZDOTIAAIHGED-GFCCVEGCSA-N 1 0 387.347 2.754 20 0 GFADRO C[C@@H](NC(=O)C[N@H+](C)C1CCC1)c1ccc(Br)cc1OCCCO ZINC000629994343 565878908 /nfs/dbraw/zinc/87/89/08/565878908.db2.gz OKCBKAQUFIZXFU-CYBMUJFWSA-N 1 0 399.329 2.872 20 0 GFADRO O=S(=O)(Cc1ccc(Cl)cc1)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000651605587 565878968 /nfs/dbraw/zinc/87/89/68/565878968.db2.gz MDQDPFSHHRGYMM-ROUUACIJSA-N 1 0 386.945 2.527 20 0 GFADRO C[NH2+]C1(CNC(=O)[C@H](CCOC)Cc2cccc(Br)c2)CCC1 ZINC000630000676 565879742 /nfs/dbraw/zinc/87/97/42/565879742.db2.gz PZSQHRRIEVQYNJ-OAHLLOKOSA-N 1 0 383.330 2.903 20 0 GFADRO CC[NH+](CC)[C@@H](CNc1ncccc1S(N)(=O)=O)c1ccccc1Cl ZINC000603023519 565880538 /nfs/dbraw/zinc/88/05/38/565880538.db2.gz CGMDBAJNFZUZDA-HNNXBMFYSA-N 1 0 382.917 2.877 20 0 GFADRO CC[NH+]1CCN(CC(=O)N2CCC[C@H]2c2ccccc2Br)CC1 ZINC000674837724 565885625 /nfs/dbraw/zinc/88/56/25/565885625.db2.gz JDWTXVFSNOLGLM-KRWDZBQOSA-N 1 0 380.330 2.750 20 0 GFADRO C[C@@H](c1nc(Cc2ccc(Cl)cc2)no1)n1cc(CSCC[NH3+])nn1 ZINC000603224970 565890727 /nfs/dbraw/zinc/89/07/27/565890727.db2.gz XPPIUCKUOVZAFY-NSHDSACASA-N 1 0 378.889 2.707 20 0 GFADRO COc1cc(OC)c(S(=O)(=O)NCCC[N@H+](C)CC(C)C)cc1Cl ZINC000651768623 565892014 /nfs/dbraw/zinc/89/20/14/565892014.db2.gz WEPSTSLKRKCYPF-UHFFFAOYSA-N 1 0 378.922 2.613 20 0 GFADRO COC(=O)C1CC[NH+](CCCNc2ncc(OC)cc2Br)CC1 ZINC000603283646 565895019 /nfs/dbraw/zinc/89/50/19/565895019.db2.gz LDSIFBDOZBRWGR-UHFFFAOYSA-N 1 0 386.290 2.540 20 0 GFADRO CCOC(=O)c1nc(N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)ccc1Br ZINC000603313347 565897972 /nfs/dbraw/zinc/89/79/72/565897972.db2.gz CSPFXTCZRCQRPV-JSGCOSHPSA-N 1 0 382.302 2.941 20 0 GFADRO COc1c(Br)cc(C[NH2+][C@H]2C[C@@H](C(N)=O)C2)cc1Br ZINC000651940609 565906251 /nfs/dbraw/zinc/90/62/51/565906251.db2.gz WHWCRNKFORUPQG-DTORHVGOSA-N 1 0 392.091 2.574 20 0 GFADRO C[N@@H+]1CCCC[C@H]1C(=O)N1CCN(C(=O)c2cc3sccc3s2)CC1 ZINC000675519588 565907770 /nfs/dbraw/zinc/90/77/70/565907770.db2.gz KOUDBXFOIIHVCG-ZDUSSCGKSA-N 1 0 377.535 2.732 20 0 GFADRO CCN1C[C@@H](C[NH2+]Cc2nc(-c3cccc(Br)c3)c[nH]2)CC1=O ZINC000652001072 565909250 /nfs/dbraw/zinc/90/92/50/565909250.db2.gz LYTXLVBALSSJAA-GFCCVEGCSA-N 1 0 377.286 2.797 20 0 GFADRO CCN1C[C@H](C[NH2+]C2CCN(Cc3ccccc3Br)CC2)CC1=O ZINC000651999492 565909638 /nfs/dbraw/zinc/90/96/38/565909638.db2.gz NNNXBGQYAOVIQN-HNNXBMFYSA-N 1 0 394.357 2.872 20 0 GFADRO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CC[C@]1(O)CCCOC1 ZINC000652046149 565912598 /nfs/dbraw/zinc/91/25/98/565912598.db2.gz NRQDFVOKBGOWQP-CXAGYDPISA-N 1 0 385.302 2.687 20 0 GFADRO Cn1c(=O)ccc2c1CCC[C@@H]2[NH2+]Cc1cnc2ccc(Br)cn12 ZINC000652047259 565913450 /nfs/dbraw/zinc/91/34/50/565913450.db2.gz KLQFWEVMJHCQLG-HNNXBMFYSA-N 1 0 387.281 2.963 20 0 GFADRO CCO[C@@H]1CN(C(=O)NCCCOc2ccc(Cl)cc2Cl)C[C@H]1C[NH3+] ZINC000652141067 565916878 /nfs/dbraw/zinc/91/68/78/565916878.db2.gz DZEZRXHKOQLQTR-MLGOLLRUSA-N 1 0 390.311 2.768 20 0 GFADRO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CCOC[C@H]1CCOC1 ZINC000675836715 565917109 /nfs/dbraw/zinc/91/71/09/565917109.db2.gz JEVJBUMBNMTNQV-KGLIPLIRSA-N 1 0 385.302 2.809 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(C(=O)NCc3ccc(Br)cc3)C2)C1 ZINC000652148133 565917659 /nfs/dbraw/zinc/91/76/59/565917659.db2.gz OTEUSRCCJQIZEJ-UAGQMJEPSA-N 1 0 396.329 2.877 20 0 GFADRO Cc1c(Br)cccc1NC(=O)C(=O)N(C)CC[NH+]1CCCCC1 ZINC000652292990 565921992 /nfs/dbraw/zinc/92/19/92/565921992.db2.gz SESGCLVWPIXMIE-UHFFFAOYSA-N 1 0 382.302 2.640 20 0 GFADRO Cc1cc(S(=O)(=O)N2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)c(Cl)cc1F ZINC000652375706 565925447 /nfs/dbraw/zinc/92/54/47/565925447.db2.gz XWNNSJQKYOPZCG-XEZPLFJOSA-N 1 0 390.908 2.695 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)N1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000604203398 565925678 /nfs/dbraw/zinc/92/56/78/565925678.db2.gz FGJDBWIAKXRQMT-NVXWUHKLSA-N 1 0 394.313 2.769 20 0 GFADRO O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)c1c(F)cc(Br)cc1F ZINC000676342276 565932096 /nfs/dbraw/zinc/93/20/96/565932096.db2.gz FTBUJQBLCFISRP-LBPRGKRZSA-N 1 0 389.240 2.710 20 0 GFADRO CC(C)C[N@H+](C)CCCNC(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000652522668 565933422 /nfs/dbraw/zinc/93/34/22/565933422.db2.gz RNACHESLUVABRF-UHFFFAOYSA-N 1 0 386.945 2.740 20 0 GFADRO CC(C)[C@H](C[NH2+]Cc1ncc(Br)cc1Cl)N1CCN(C)CC1 ZINC000631038716 565934497 /nfs/dbraw/zinc/93/44/97/565934497.db2.gz IAIJWBAONBNAAC-INIZCTEOSA-N 1 0 389.769 2.859 20 0 GFADRO C[C@@H](Cc1ccc(Br)cc1)[NH2+]Cc1cn(C[C@@H]2CCOC2)nn1 ZINC000631042352 565934927 /nfs/dbraw/zinc/93/49/27/565934927.db2.gz JCUFESQDIQSBGT-ZFWWWQNUSA-N 1 0 379.302 2.798 20 0 GFADRO CCO[C@@H]1CN(C(=O)Nc2c(F)cc(F)cc2Br)C[C@H]1C[NH3+] ZINC000652597388 565935029 /nfs/dbraw/zinc/93/50/29/565935029.db2.gz ABGIAUCQNNJLNQ-PRHODGIISA-N 1 0 378.217 2.555 20 0 GFADRO Cc1nc(S(=O)(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)sc1C ZINC000676416729 565936100 /nfs/dbraw/zinc/93/61/00/565936100.db2.gz RCPMLXUZXAFAKH-DYVFJYSZSA-N 1 0 379.551 2.949 20 0 GFADRO CC(C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)NCCC1(C[NH3+])CC1 ZINC000652710113 565938270 /nfs/dbraw/zinc/93/82/70/565938270.db2.gz JCKGMNVFXFYZED-UHFFFAOYSA-N 1 0 386.323 2.976 20 0 GFADRO NC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(NCc2ccncc2Br)c1 ZINC000631095022 565940309 /nfs/dbraw/zinc/94/03/09/565940309.db2.gz ZJKZPDXDOXDCPI-KRWDZBQOSA-N 1 0 389.297 2.906 20 0 GFADRO C[NH+](C)C[C@@H](NCc1ccc(Cl)c(S(N)(=O)=O)c1)c1ccc(F)cc1 ZINC000631136904 565944403 /nfs/dbraw/zinc/94/44/03/565944403.db2.gz RIJHIGZIRZXFNW-MRXNPFEDSA-N 1 0 385.892 2.519 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+][C@@H]2CCO[C@H]2c2ccc(Cl)cc2)c(F)c1 ZINC000631186085 565946812 /nfs/dbraw/zinc/94/68/12/565946812.db2.gz GWBPPWMGIWGWBK-SJORKVTESA-N 1 0 384.860 2.746 20 0 GFADRO CCCC[N@H+](C)C[C@@H](C)Nc1cccc(OC(F)(F)F)c1S(N)(=O)=O ZINC000631289603 565952474 /nfs/dbraw/zinc/95/24/74/565952474.db2.gz PTQTVAQPDAJAEB-LLVKDONJSA-N 1 0 383.436 2.765 20 0 GFADRO O=C(c1cccc(Cl)c1Cl)N1CCN(C(=O)[C@@H]2CCC[NH2+]CC2)CC1 ZINC000653069358 565953361 /nfs/dbraw/zinc/95/33/61/565953361.db2.gz KTOTYBVZPBKDOV-CYBMUJFWSA-N 1 0 384.307 2.668 20 0 GFADRO O=C(NC1(c2cccc(Br)c2)CCOCC1)[C@H]1CCC[NH2+]CC1 ZINC000653077931 565954088 /nfs/dbraw/zinc/95/40/88/565954088.db2.gz PCNDDSZZLUFYGA-AWEZNQCLSA-N 1 0 381.314 2.961 20 0 GFADRO C[NH+](C)CC[C@@H](N)C(=O)N[C@H](c1ccccc1)c1ccc(Br)cc1 ZINC000653079163 565954172 /nfs/dbraw/zinc/95/41/72/565954172.db2.gz VELALAPEOSWKLM-QZTJIDSGSA-N 1 0 390.325 2.934 20 0 GFADRO COCC1(CNC(=O)c2ccc(Br)c(OC(C)C)c2)CC[NH2+]CC1 ZINC000653138831 565956284 /nfs/dbraw/zinc/95/62/84/565956284.db2.gz LAWZUGPMVIJLSD-UHFFFAOYSA-N 1 0 399.329 2.982 20 0 GFADRO [NH3+]CC[C@@H](NC(=O)[C@@H]1CCOc2ccc(Br)cc21)C(F)(F)F ZINC000653147571 565956307 /nfs/dbraw/zinc/95/63/07/565956307.db2.gz QNYAXUAQIVIDQO-BXKDBHETSA-N 1 0 381.192 2.711 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(C(=O)COc3ccccc3Br)C2)C1 ZINC000653185294 565957462 /nfs/dbraw/zinc/95/74/62/565957462.db2.gz ZCKXBWGFRWANLQ-VBQJREDUSA-N 1 0 397.313 2.573 20 0 GFADRO COc1ccc(Br)c(C(=O)N2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)c1 ZINC000653190652 565958360 /nfs/dbraw/zinc/95/83/60/565958360.db2.gz MYINFEVRCLRZBN-AHIWAGSCSA-N 1 0 397.313 2.816 20 0 GFADRO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCN(C(=O)c3ccc(Br)c(F)c3)C2)C1 ZINC000653188680 565958647 /nfs/dbraw/zinc/95/86/47/565958647.db2.gz NLPDFTNLBRGGNS-WOSRLPQWSA-N 1 0 385.277 2.947 20 0 GFADRO O=C(c1ccc2cncc(Br)c2n1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000631456267 565959083 /nfs/dbraw/zinc/95/90/83/565959083.db2.gz XXZLKVVWJVLAEB-CYBMUJFWSA-N 1 0 389.297 2.950 20 0 GFADRO COc1ccc(Br)cc1C(=O)CCC(=O)NCCC1(C[NH3+])CC1 ZINC000653215778 565959593 /nfs/dbraw/zinc/95/95/93/565959593.db2.gz ANWOAHUXFKXJGC-UHFFFAOYSA-N 1 0 383.286 2.666 20 0 GFADRO O=C([C@@H]1C[C@H]1c1cccc(Br)c1)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000653226953 565959723 /nfs/dbraw/zinc/95/97/23/565959723.db2.gz LLASDZFHXSDTIN-MHORFTMASA-N 1 0 393.325 2.610 20 0 GFADRO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCCN2C(=O)c2cc(Br)ccc2O)C1 ZINC000653261421 565960667 /nfs/dbraw/zinc/96/06/67/565960667.db2.gz RIWTXTNVMPSMCD-IVMMDQJWSA-N 1 0 383.286 2.656 20 0 GFADRO CCO[C@@H]1CN(C(=O)[C@H](CC)Cc2cccc(Br)c2)C[C@H]1C[NH3+] ZINC000653246555 565960730 /nfs/dbraw/zinc/96/07/30/565960730.db2.gz RESRYIFOYOOQKR-BFYDXBDKSA-N 1 0 383.330 2.840 20 0 GFADRO O=C(NCCC1CC[NH2+]CC1)c1cc(-c2ccc(Br)cc2)n[nH]1 ZINC000653269315 565961071 /nfs/dbraw/zinc/96/10/71/565961071.db2.gz ZEUXMFGDJSHGCO-UHFFFAOYSA-N 1 0 377.286 2.959 20 0 GFADRO CN1CC[C@@H]([NH+]2CCC(NC(=O)Nc3ccc(Cl)cc3Cl)CC2)C1=O ZINC000631529775 565961418 /nfs/dbraw/zinc/96/14/18/565961418.db2.gz NBJMQIIXWVJKHR-OAHLLOKOSA-N 1 0 385.295 2.810 20 0 GFADRO O=C(COc1ccc(Br)cc1Cl)NCCC1CC[NH2+]CC1 ZINC000653268797 565961748 /nfs/dbraw/zinc/96/17/48/565961748.db2.gz AKBCLKMPBJZRIN-UHFFFAOYSA-N 1 0 375.694 2.987 20 0 GFADRO CC[N@@H+]1CCN(Cc2noc(Cc3ccc(Br)cc3)n2)C[C@H]1C ZINC000677191456 565963463 /nfs/dbraw/zinc/96/34/63/565963463.db2.gz COYZXFXDPFTBKF-CYBMUJFWSA-N 1 0 379.302 2.949 20 0 GFADRO C[NH+](C)C1(CNS(=O)(=O)Cc2ncsc2Br)CCCCC1 ZINC000631650085 565964481 /nfs/dbraw/zinc/96/44/81/565964481.db2.gz GBYZTUJEDWQSOF-UHFFFAOYSA-N 1 0 396.376 2.590 20 0 GFADRO C[C@@H]1C[N@@H+](CCCCNC(=O)c2c(F)cncc2Br)C[C@H](C)O1 ZINC000631675798 565966297 /nfs/dbraw/zinc/96/62/97/565966297.db2.gz PEEWEKOYLSCVBS-TXEJJXNPSA-N 1 0 388.281 2.602 20 0 GFADRO C[C@@H](CNS(=O)(=O)C[C@@H]1CCC(F)(F)C1)N1CCc2sccc2C1 ZINC000631726671 565969832 /nfs/dbraw/zinc/96/98/32/565969832.db2.gz GBXYZWFQGKLZGU-QWHCGFSZSA-N 1 0 378.510 2.850 20 0 GFADRO CC(C)[NH2+][C@@H]1CCCN(C(=O)Nc2cc(N(C)C)c(Br)cn2)C1 ZINC000653653614 565976302 /nfs/dbraw/zinc/97/63/02/565976302.db2.gz VVSFVSRREPETBM-GFCCVEGCSA-N 1 0 384.322 2.904 20 0 GFADRO O=S(=O)(C[C@@H]1CCC1(F)F)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000631847255 565978269 /nfs/dbraw/zinc/97/82/69/565978269.db2.gz QPRXVZUZCIEFRN-KGLIPLIRSA-N 1 0 378.510 2.925 20 0 GFADRO O=c1[nH]c2ccc(S(=O)(=O)N3CCC[C@@H]3C[NH+]3CCCCC3)cc2s1 ZINC000631894916 565981025 /nfs/dbraw/zinc/98/10/25/565981025.db2.gz HPHBBSHJPSTERK-CYBMUJFWSA-N 1 0 381.523 2.641 20 0 GFADRO C[N@H+](CC[C@@H]1CCS(=O)(=O)C1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000677677897 565981113 /nfs/dbraw/zinc/98/11/13/565981113.db2.gz DHFQJYPKCYYLNE-UHNFBRDESA-N 1 0 378.321 2.708 20 0 GFADRO O=S(=O)(c1ccc(C(F)(F)C(F)(F)F)cc1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000631906815 565982204 /nfs/dbraw/zinc/98/22/04/565982204.db2.gz WFKCESFPSZXQED-NEPJUHHUSA-N 1 0 384.370 2.856 20 0 GFADRO O=S(=O)(c1cscc1Br)N1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000631943577 565984829 /nfs/dbraw/zinc/98/48/29/565984829.db2.gz ZZSBCUOYEBGAME-VXGBXAGGSA-N 1 0 379.345 2.806 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000677871831 565985503 /nfs/dbraw/zinc/98/55/03/565985503.db2.gz QPOIWIOJYOFVTP-CQSZACIVSA-N 1 0 389.297 2.910 20 0 GFADRO CC[C@H]([NH2+]Cc1cc(=O)n2cc(Br)ccc2n1)[C@@H]1CCCCO1 ZINC000653876178 565985995 /nfs/dbraw/zinc/98/59/95/565985995.db2.gz CDNCJLZWJGNTLU-GJZGRUSLSA-N 1 0 380.286 2.894 20 0 GFADRO C[C@H](CNC(=O)c1nn(-c2cccc(Br)c2)c2c1CCC2)[NH+](C)C ZINC000607626398 565986138 /nfs/dbraw/zinc/98/61/38/565986138.db2.gz WDVXFJZEYSXBFF-GFCCVEGCSA-N 1 0 391.313 2.803 20 0 GFADRO [NH3+]Cc1ccc2c(c1)N(S(=O)(=O)c1ccc(C(F)(F)F)s1)CCO2 ZINC000631959562 565986858 /nfs/dbraw/zinc/98/68/58/565986858.db2.gz XKTZZDHGBDLGAC-UHFFFAOYSA-N 1 0 378.397 2.813 20 0 GFADRO O=C1C[C@H]([C@@H]2CCCC[N@H+]2C[C@H](O)COc2ccc(Cl)c(Cl)c2)CN1 ZINC000677903863 565987134 /nfs/dbraw/zinc/98/71/34/565987134.db2.gz ZUURNUBWBOLYAF-DCGLDWPTSA-N 1 0 387.307 2.724 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(Cl)c(NS(C)(=O)=O)c2)[C@H](C)C1 ZINC000607664306 565987407 /nfs/dbraw/zinc/98/74/07/565987407.db2.gz BMMAGKBZLDJOSC-MLGOLLRUSA-N 1 0 387.933 2.514 20 0 GFADRO [NH3+]C[C@H]1CC[C@H](NS(=O)(=O)c2c(Cl)cccc2Br)CC1 ZINC000631975571 565988195 /nfs/dbraw/zinc/98/81/95/565988195.db2.gz HNQGBAHJCGJUAE-MGCOHNPYSA-N 1 0 381.723 2.898 20 0 GFADRO Cc1cc(CCC(=O)N2CC[NH+](C(C)(C)CO)CC2)ccc1Br ZINC000677945538 565988309 /nfs/dbraw/zinc/98/83/09/565988309.db2.gz ZYPVYGGINOKPCG-UHFFFAOYSA-N 1 0 383.330 2.605 20 0 GFADRO O=C(Nc1cccc(Cl)c1SCC(F)F)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000653997711 565990151 /nfs/dbraw/zinc/99/01/51/565990151.db2.gz TYXHGVWLYYFKOU-WDEREUQCSA-N 1 0 391.871 2.980 20 0 GFADRO C[C@H](Oc1cccc(Br)c1)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000607883749 565991385 /nfs/dbraw/zinc/99/13/85/565991385.db2.gz QXKVAOPETBAFQN-AWEZNQCLSA-N 1 0 390.281 2.960 20 0 GFADRO CCOc1ccc(Br)cc1S(=O)(=O)N(C)[C@H]1CCCN(C)C1 ZINC000608030247 565998532 /nfs/dbraw/zinc/99/85/32/565998532.db2.gz GWHOESXHPGXNAC-ZDUSSCGKSA-N 1 0 391.331 2.563 20 0 GFADRO CC(C)[N@@H+]1C[C@@H](C)[C@H](NS(=O)(=O)Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000608045872 565999582 /nfs/dbraw/zinc/99/95/82/565999582.db2.gz FDWFLCUXYAMSEX-IUODEOHRSA-N 1 0 380.432 2.733 20 0 GFADRO CN1CCN(c2cc[nH+]cc2NC(=O)c2ccc(F)c(Br)c2)CC1 ZINC000608117208 566004419 /nfs/dbraw/zinc/00/44/19/566004419.db2.gz VJWMPBHERPIXLM-UHFFFAOYSA-N 1 0 393.260 2.987 20 0 GFADRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)N[C@H]2CCN(c3ccccc3Br)C2)C1 ZINC000654439429 566010046 /nfs/dbraw/zinc/01/00/46/566010046.db2.gz YVWHGNHPGFXYLE-SOUVJXGZSA-N 1 0 395.345 2.667 20 0 GFADRO C[NH+](C)CCCC1CCN(C(=O)COc2ccc(Br)cn2)CC1 ZINC000632229255 566012787 /nfs/dbraw/zinc/01/27/87/566012787.db2.gz XLHDPIWWQVLWBU-UHFFFAOYSA-N 1 0 384.318 2.803 20 0 GFADRO C[C@H]([NH2+][C@H](CO)c1cccc(Br)c1)c1cccc(-n2cnnn2)c1 ZINC000678598358 566013846 /nfs/dbraw/zinc/01/38/46/566013846.db2.gz GFDOMRQQCVNILA-YVEFUNNKSA-N 1 0 388.269 2.809 20 0 GFADRO CS(=O)(=O)Nc1ccc(OCC[NH2+][C@@H]2Cc3ccc(Cl)cc3C2)cc1 ZINC000678698810 566017102 /nfs/dbraw/zinc/01/71/02/566017102.db2.gz ARIIOSGZXBFFPK-QGZVFWFLSA-N 1 0 380.897 2.847 20 0 GFADRO C[NH+]1CCC(CCO)(NC(=O)[C@H]2C[C@@]2(C)c2cccc(Br)c2)CC1 ZINC000632322739 566021411 /nfs/dbraw/zinc/02/14/11/566021411.db2.gz WQFQWVBZTUKUAA-AEFFLSMTSA-N 1 0 395.341 2.690 20 0 GFADRO C[C@H](NC(=O)COc1ccc(Br)cn1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000632370100 566026253 /nfs/dbraw/zinc/02/62/53/566026253.db2.gz VKKNXHSDKCGSEH-KBPBESRZSA-N 1 0 396.329 2.992 20 0 GFADRO CC(C)(C)c1ccc(S(=O)(=O)N2CCC([N@@H+]3CCCOCC3)CC2)s1 ZINC000632452449 566034430 /nfs/dbraw/zinc/03/44/30/566034430.db2.gz WHZCMHHEVMAJNA-UHFFFAOYSA-N 1 0 386.583 2.921 20 0 GFADRO CC[NH+](CC)CC[C@H](CO)NC(=O)[C@@H]1CCc2cc(Br)ccc21 ZINC000655049621 566037549 /nfs/dbraw/zinc/03/75/49/566037549.db2.gz QKZZDHMOONPFPH-NVXWUHKLSA-N 1 0 383.330 2.688 20 0 GFADRO C[NH+](C)CC(C)(C)NC(=O)NCCNc1ncc(C(F)(F)F)cc1Cl ZINC000655067429 566037640 /nfs/dbraw/zinc/03/76/40/566037640.db2.gz VMEPWLFHARUBCY-UHFFFAOYSA-N 1 0 381.830 2.805 20 0 GFADRO O=c1[nH]c2ccc(S(=O)(=O)NC[C@@H]3CC[N@@H+]3C3CCCCC3)cc2s1 ZINC000632591551 566048055 /nfs/dbraw/zinc/04/80/55/566048055.db2.gz AQLARZYKTZOHMU-ZDUSSCGKSA-N 1 0 381.523 2.687 20 0 GFADRO CC1([NH+]2CCCC2)CCN(S(=O)(=O)c2ccc(C(F)(F)F)nc2)CC1 ZINC000632639793 566053747 /nfs/dbraw/zinc/05/37/47/566053747.db2.gz LVZVTQWNBJEERA-UHFFFAOYSA-N 1 0 377.432 2.739 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)CCC[N@H+](CC(N)=O)C(C)C ZINC000679818060 566053802 /nfs/dbraw/zinc/05/38/02/566053802.db2.gz QSIDBVJFKDDTCZ-UHFFFAOYSA-N 1 0 384.318 2.980 20 0 GFADRO C[N@@H+](Cc1ccccc1)C[C@@H](O)CN[C@@H](CO)c1cccc(Br)c1 ZINC000679832511 566055240 /nfs/dbraw/zinc/05/52/40/566055240.db2.gz QYKIQLSZHWTAKI-OALUTQOASA-N 1 0 393.325 2.565 20 0 GFADRO CCC1([NH+](C)C)CCN(S(=O)(=O)Cc2ncsc2Br)CC1 ZINC000632661216 566056148 /nfs/dbraw/zinc/05/61/48/566056148.db2.gz VPBYWZWMKRJINI-UHFFFAOYSA-N 1 0 396.376 2.542 20 0 GFADRO CCC1([NH+](C)C)CCN(S(=O)(=O)c2cc(F)ccc2OC(F)F)CC1 ZINC000632660883 566056561 /nfs/dbraw/zinc/05/65/61/566056561.db2.gz NZSGWRIGBLISAC-UHFFFAOYSA-N 1 0 380.432 2.922 20 0 GFADRO CO[C@H](C(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)c1ccccc1Br ZINC000655464957 566056968 /nfs/dbraw/zinc/05/69/68/566056968.db2.gz NOGPFCWAWBUIAP-VBQJREDUSA-N 1 0 381.314 2.985 20 0 GFADRO CC[NH+](CC)CC(=O)N(CCc1ccc(Cl)cc1Cl)CC(=O)OC ZINC000609890260 566057461 /nfs/dbraw/zinc/05/74/61/566057461.db2.gz RMHBLRLEBSHGEG-UHFFFAOYSA-N 1 0 375.296 2.879 20 0 GFADRO CC(C)([NH3+])c1nocc1C(=O)N1CCc2c(F)cc(Br)cc2C1 ZINC000655441395 566057582 /nfs/dbraw/zinc/05/75/82/566057582.db2.gz MDJWDBMUBIAXHS-UHFFFAOYSA-N 1 0 382.233 2.969 20 0 GFADRO [NH3+]Cc1cn([C@@H]2CCCN(C(=O)CCc3c(Cl)cccc3Cl)C2)nn1 ZINC000655478406 566058625 /nfs/dbraw/zinc/05/86/25/566058625.db2.gz UTWGDKCWPGMKEG-CYBMUJFWSA-N 1 0 382.295 2.840 20 0 GFADRO CC[C@@H]1[C@@H](C(=O)N(CCO)Cc2ccc(Br)s2)CC[N@@H+]1C ZINC000632751778 566063745 /nfs/dbraw/zinc/06/37/45/566063745.db2.gz APNPRQBAKLNRDS-QWHCGFSZSA-N 1 0 375.332 2.562 20 0 GFADRO Cc1c(Br)cccc1CS(=O)(=O)N1CCC[C@@H]1C[NH+](C)C ZINC000655538534 566065227 /nfs/dbraw/zinc/06/52/27/566065227.db2.gz QNTZBAGDUKDTGO-CQSZACIVSA-N 1 0 375.332 2.613 20 0 GFADRO CC[C@@H]1C[N@H+](C)CCCN1C(=O)c1ccc2cncc(Br)c2n1 ZINC000632820210 566070257 /nfs/dbraw/zinc/07/02/57/566070257.db2.gz FTAYRGDPXRLGJN-CYBMUJFWSA-N 1 0 377.286 2.949 20 0 GFADRO Cn1nc2cc(Br)ccc2c1C(=O)N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000632865885 566072094 /nfs/dbraw/zinc/07/20/94/566072094.db2.gz WYXWSSQXJBVXCD-IAQYHMDHSA-N 1 0 377.286 2.550 20 0 GFADRO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)Nc1cc(Br)cc(C(=O)N2CCCC2)c1 ZINC000632943072 566076142 /nfs/dbraw/zinc/07/61/42/566076142.db2.gz VGTIXCWFVGUQJG-BXUZGUMPSA-N 1 0 395.301 2.639 20 0 GFADRO C[NH+](C)Cc1ccc(S(=O)(=O)N[C@H](C[C@H]2CCCO2)C(F)(F)F)cc1 ZINC000655661753 566079320 /nfs/dbraw/zinc/07/93/20/566079320.db2.gz HVXBQSJBEQIWSA-UKRRQHHQSA-N 1 0 380.432 2.527 20 0 GFADRO CC(C)Oc1cc(NC(=O)C(=O)N2CCC(C)([NH3+])CC2)ccc1Br ZINC000633007029 566079586 /nfs/dbraw/zinc/07/95/86/566079586.db2.gz YRYHIYCCBVGDLX-UHFFFAOYSA-N 1 0 398.301 2.515 20 0 GFADRO C[C@H]1C[C@H]([NH3+])CN1C(=O)C(=O)Nc1cccc(Cl)c1SCC(F)F ZINC000633040372 566080799 /nfs/dbraw/zinc/08/07/99/566080799.db2.gz XBBRNGZHDXAVAN-IUCAKERBSA-N 1 0 377.844 2.584 20 0 GFADRO [NH3+]CC1(NC(=O)C(=O)Nc2ccc(Cl)c(OC(F)F)c2)CCCCC1 ZINC000633048830 566081800 /nfs/dbraw/zinc/08/18/00/566081800.db2.gz FZJBYGAGNWAJLV-UHFFFAOYSA-N 1 0 375.803 2.658 20 0 GFADRO Cc1cccc(NC(=O)C(=O)N[C@H]2CC[NH2+]CC(C)(C)C2)c1Br ZINC000633046948 566082003 /nfs/dbraw/zinc/08/20/03/566082003.db2.gz WKHCXAPLZNEBHX-LBPRGKRZSA-N 1 0 382.302 2.590 20 0 GFADRO CCc1ncc(S(=O)(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)s1 ZINC000680858960 566085009 /nfs/dbraw/zinc/08/50/09/566085009.db2.gz NZKBPUGAIKOBHP-INIZCTEOSA-N 1 0 379.551 2.896 20 0 GFADRO NC(=O)c1ccccc1N1CC[C@@H]([NH2+]Cc2sccc2Br)C1 ZINC000680884839 566086213 /nfs/dbraw/zinc/08/62/13/566086213.db2.gz ZDRZFIJXCDPUSG-LLVKDONJSA-N 1 0 380.311 2.978 20 0 GFADRO CNC(=O)C(C)(C)C[NH2+]Cc1cn(-c2cccc(Br)c2)nc1C ZINC000655752775 566087087 /nfs/dbraw/zinc/08/70/87/566087087.db2.gz UMJHDKKQSFSTQU-UHFFFAOYSA-N 1 0 379.302 2.805 20 0 GFADRO CCC[C@@H](O)[C@@H](CO)[NH2+]Cc1cn(-c2ccccc2Br)nc1C ZINC000655780536 566088749 /nfs/dbraw/zinc/08/87/49/566088749.db2.gz SQAFBULAWUHASV-NVXWUHKLSA-N 1 0 382.302 2.555 20 0 GFADRO C[N@H+](CCCOc1cccc(I)c1)C[C@H](O)C1CC1 ZINC000610572893 566088794 /nfs/dbraw/zinc/08/87/94/566088794.db2.gz UFXULONVJGIQMK-HNNXBMFYSA-N 1 0 375.250 2.763 20 0 GFADRO Cc1nn(-c2ccccc2Br)cc1C[NH2+]C[C@H]1CCCC(=O)N1 ZINC000655769144 566088782 /nfs/dbraw/zinc/08/87/82/566088782.db2.gz WMWRFWHUTGRXJC-CQSZACIVSA-N 1 0 377.286 2.702 20 0 GFADRO CCO[C@@H]1COC[C@H]1[NH2+]Cc1cn(-c2cccc(Br)c2)nc1C ZINC000655793116 566090058 /nfs/dbraw/zinc/09/00/58/566090058.db2.gz TWSPLWWHZUMUEY-IAGOWNOFSA-N 1 0 380.286 2.837 20 0 GFADRO Cc1nn(-c2ccccc2Br)cc1C[NH2+][C@@H]1CC[C@H](C(N)=O)C1 ZINC000655793161 566090394 /nfs/dbraw/zinc/09/03/94/566090394.db2.gz VIVJJQOOQNISSZ-GXTWGEPZSA-N 1 0 377.286 2.687 20 0 GFADRO [NH3+]C[C@H](NC(=O)NCC1(c2cccc(Br)c2)CC1)C(F)(F)F ZINC000655917259 566095446 /nfs/dbraw/zinc/09/54/46/566095446.db2.gz OELMELXMGFJMOD-NSHDSACASA-N 1 0 380.208 2.670 20 0 GFADRO C[C@@H](NC(=O)N[C@@H](C[NH3+])C(F)(F)F)c1noc(-c2ccc(Cl)cc2)n1 ZINC000655920114 566095492 /nfs/dbraw/zinc/09/54/92/566095492.db2.gz KTQNGWBTIJFBCN-XCBNKYQSSA-N 1 0 377.754 2.640 20 0 GFADRO CC(C)(Cc1ccc(Br)cc1)NC(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000655915227 566095632 /nfs/dbraw/zinc/09/56/32/566095632.db2.gz LUGCRFBYPKPYPM-NSHDSACASA-N 1 0 382.224 2.959 20 0 GFADRO [NH3+]C[C@@H](NC(=O)N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1)C(F)(F)F ZINC000655923039 566096219 /nfs/dbraw/zinc/09/62/19/566096219.db2.gz ZFYVWKHCVZBUDJ-JGVFFNPUSA-N 1 0 390.353 2.941 20 0 GFADRO [NH3+]C[C@H](NC(=O)N1CC[C@H](Cc2ccc(Br)cc2)C1)C(F)(F)F ZINC000655925576 566096502 /nfs/dbraw/zinc/09/65/02/566096502.db2.gz DLZDWAAAXYUVAU-YPMHNXCESA-N 1 0 394.235 2.913 20 0 GFADRO C[C@@H](NC(=O)Cc1cccc(I)c1)C1CC[NH+](C)CC1 ZINC000610758597 566097121 /nfs/dbraw/zinc/09/71/21/566097121.db2.gz PCIXMARGANBMEX-GFCCVEGCSA-N 1 0 386.277 2.680 20 0 GFADRO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)c1cc(I)ccc1F ZINC000610772459 566098483 /nfs/dbraw/zinc/09/84/83/566098483.db2.gz HCLMYCHVWRZIFI-GFCCVEGCSA-N 1 0 388.224 2.644 20 0 GFADRO Cc1csc(-c2ccc(S(=O)(=O)N3CCC[C@@]4(CC[NH2+]C4)C3)cc2)n1 ZINC000655952264 566099417 /nfs/dbraw/zinc/09/94/17/566099417.db2.gz LYANYGNGMXKUSV-SFHVURJKSA-N 1 0 377.535 2.883 20 0 GFADRO Cc1nn(-c2ccccc2Br)cc1C[N@@H+](C)CC1(O)CCOCC1 ZINC000656258056 566119080 /nfs/dbraw/zinc/11/90/80/566119080.db2.gz PIFCYPCTECXOKJ-UHFFFAOYSA-N 1 0 394.313 2.917 20 0 GFADRO COc1ccc(S(=O)(=O)N2C[C@H](SC)[C@@H]([NH+](C)C)C2)c2ccccc12 ZINC000611184510 566119920 /nfs/dbraw/zinc/11/99/20/566119920.db2.gz PVKWPGLFFFIVNF-RDJZCZTQSA-N 1 0 380.535 2.515 20 0 GFADRO C[C@@H](c1ccc([S@](C)=O)cc1)[N@H+](C)Cc1cccc(NS(C)(=O)=O)c1 ZINC000611276953 566124088 /nfs/dbraw/zinc/12/40/88/566124088.db2.gz XVZRUMUEKYAOET-BSEYFRJRSA-N 1 0 380.535 2.989 20 0 GFADRO Cc1c(Br)cc(C(=O)N2CCC(C)([NH+]3CCCC3)CC2)c(=O)n1C ZINC000633960946 566132697 /nfs/dbraw/zinc/13/26/97/566132697.db2.gz DGUDVUAQZXXUHX-UHFFFAOYSA-N 1 0 396.329 2.547 20 0 GFADRO CC1([NH+]2CCCC2)CCN(C(=O)CS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000633942639 566132909 /nfs/dbraw/zinc/13/29/09/566132909.db2.gz XJUYFJRTQQVLAJ-UHFFFAOYSA-N 1 0 384.929 2.591 20 0 GFADRO O=C(NC1CC[NH+](C2CC2)CC1)c1cnc2ncc(Br)cc2c1 ZINC000681952779 566133489 /nfs/dbraw/zinc/13/34/89/566133489.db2.gz MWVMZVIPJQRYNL-UHFFFAOYSA-N 1 0 375.270 2.749 20 0 GFADRO Cn1ncc(Br)c1CNC(=O)[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000633979161 566133836 /nfs/dbraw/zinc/13/38/36/566133836.db2.gz OFYSWOBYUYBNSM-OAHLLOKOSA-N 1 0 391.313 2.678 20 0 GFADRO C[NH+](C)C[C@H]1CCCCN1C(=O)c1cnc2ncc(Br)cc2c1 ZINC000681986774 566136430 /nfs/dbraw/zinc/13/64/30/566136430.db2.gz CZCPWFZESBCGEH-OAHLLOKOSA-N 1 0 377.286 2.949 20 0 GFADRO CSC[C@H]([NH2+]CCCN(C)S(C)(=O)=O)c1ccc(C(F)(F)F)cc1 ZINC000611671313 566139713 /nfs/dbraw/zinc/13/97/13/566139713.db2.gz JHDAFCAGUBXCAT-AWEZNQCLSA-N 1 0 384.489 2.981 20 0 GFADRO COC(=O)[C@@H](c1cccc(Cl)c1Cl)N1CC[NH+](C(C)(C)CO)CC1 ZINC000611668842 566139808 /nfs/dbraw/zinc/13/98/08/566139808.db2.gz VDWQZZFZYZNMPT-OAHLLOKOSA-N 1 0 375.296 2.596 20 0 GFADRO CC[C@H]([NH2+]CC(=O)N1CCN(C)CC1)c1ccc(Br)cc1Cl ZINC000682133001 566145490 /nfs/dbraw/zinc/14/54/90/566145490.db2.gz QCJCPNRPKQNUSQ-HNNXBMFYSA-N 1 0 388.737 2.917 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N[C@H](C)C2CC[NH+](C)CC2)c(Br)c1 ZINC000682193623 566146188 /nfs/dbraw/zinc/14/61/88/566146188.db2.gz WKGGKXUGDRCRLO-CYBMUJFWSA-N 1 0 396.329 2.851 20 0 GFADRO Cc1cc(Br)c(CN2C(=O)N[C@]3(CCC[NH2+]C3)C2=O)cc1Cl ZINC000656613082 566146493 /nfs/dbraw/zinc/14/64/93/566146493.db2.gz QOKVNTSFRIYIGI-HNNXBMFYSA-N 1 0 386.677 2.585 20 0 GFADRO CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)Nc1ccc(C)c(Br)c1 ZINC000682274256 566148823 /nfs/dbraw/zinc/14/88/23/566148823.db2.gz PXRMPKHDPUIZJU-CYBMUJFWSA-N 1 0 382.302 2.687 20 0 GFADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)Nc1ccc(Br)c(C)c1 ZINC000682272794 566148919 /nfs/dbraw/zinc/14/89/19/566148919.db2.gz KVRHHOHYBSUDBC-ZDUSSCGKSA-N 1 0 382.302 2.687 20 0 GFADRO CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)Nc1c(F)cccc1Br ZINC000682275339 566149112 /nfs/dbraw/zinc/14/91/12/566149112.db2.gz ZZSYFGDLVSVLHI-LLVKDONJSA-N 1 0 386.265 2.517 20 0 GFADRO COC[C@@H]([NH2+][C@H](C)C(=O)Nc1ccc(Br)cc1)C1CCOCC1 ZINC000656679460 566155010 /nfs/dbraw/zinc/15/50/10/566155010.db2.gz IXTMRIBHTJTJSX-MLGOLLRUSA-N 1 0 385.302 2.807 20 0 GFADRO CCCOc1ccc(Br)cc1C[NH2+]CCC1CS(=O)(=O)C1 ZINC000682474577 566156168 /nfs/dbraw/zinc/15/61/68/566156168.db2.gz DQKTXNNUPYROSG-UHFFFAOYSA-N 1 0 376.316 2.762 20 0 GFADRO O[C@@H](COc1cc(Cl)cc(Cl)c1)CN1CC[NH+](C2CCOCC2)CC1 ZINC000634645119 566163535 /nfs/dbraw/zinc/16/35/35/566163535.db2.gz HFDMYIFHBPGYLV-QGZVFWFLSA-N 1 0 389.323 2.530 20 0 GFADRO CC[NH+](CC)CCCNS(=O)(=O)Cc1cc(F)ccc1Br ZINC000656860988 566169443 /nfs/dbraw/zinc/16/94/43/566169443.db2.gz OWFZIBZIMFWQSO-UHFFFAOYSA-N 1 0 381.311 2.740 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CC[NH2+]C[C@@H](O)C[C@@](C)(O)C1CC1 ZINC000634700812 566170466 /nfs/dbraw/zinc/17/04/66/566170466.db2.gz FWSODWXACLZNAH-MAUKXSAKSA-N 1 0 399.329 2.588 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CC[NH2+]C[C@H](O)C[C@@](C)(O)C1CC1 ZINC000634700811 566170649 /nfs/dbraw/zinc/17/06/49/566170649.db2.gz FWSODWXACLZNAH-CRAIPNDOSA-N 1 0 399.329 2.588 20 0 GFADRO C[C@](O)(C[C@H](O)C[NH2+]CCOc1ncc(C(F)(F)F)cc1Cl)C1CC1 ZINC000634705548 566171051 /nfs/dbraw/zinc/17/10/51/566171051.db2.gz CDTGBGSNJZHLGO-WFASDCNBSA-N 1 0 382.810 2.634 20 0 GFADRO CC[C@@H](CO)[NH+]1CCN(C(=O)Cc2c(Cl)cccc2Br)CC1 ZINC000612680399 566171035 /nfs/dbraw/zinc/17/10/35/566171035.db2.gz ZGFZBYZNUSKUBJ-LBPRGKRZSA-N 1 0 389.721 2.560 20 0 GFADRO C[C@@H]([NH2+]C[C@H](O)CC1(O)CCOCC1)c1cc(F)c(Br)cc1F ZINC000634722945 566173686 /nfs/dbraw/zinc/17/36/86/566173686.db2.gz XQGJGRVIOZVKIH-GHMZBOCLSA-N 1 0 394.256 2.670 20 0 GFADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)c1ccc(I)c(O)c1 ZINC000612829057 566176863 /nfs/dbraw/zinc/17/68/63/566176863.db2.gz QAQOCSGZADFNBQ-LBPRGKRZSA-N 1 0 388.249 2.601 20 0 GFADRO CCOc1ccc(Br)cc1S(=O)(=O)N[C@H](C)C[NH+](CC)CC ZINC000682933942 566177849 /nfs/dbraw/zinc/17/78/49/566177849.db2.gz YEFATBAQHQNPOG-GFCCVEGCSA-N 1 0 393.347 2.856 20 0 GFADRO Ic1ccc(-c2nc([C@H]3C[N@@H+]4CCC[C@@H]4CO3)no2)cc1 ZINC000612982229 566181347 /nfs/dbraw/zinc/18/13/47/566181347.db2.gz KJWQERDIXUVHJF-CHWSQXEVSA-N 1 0 397.216 2.877 20 0 GFADRO CN(CCCC[NH+](C)C)C(=O)C(=O)Nc1cccc(Cl)c1Br ZINC000683023208 566181399 /nfs/dbraw/zinc/18/13/99/566181399.db2.gz QWXCJABPCDVIFW-UHFFFAOYSA-N 1 0 390.709 2.841 20 0 GFADRO COc1cc(C(F)(F)F)ncc1NC(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000683059347 566181638 /nfs/dbraw/zinc/18/16/38/566181638.db2.gz DZAQFHWFQARGEJ-CQSZACIVSA-N 1 0 378.420 2.668 20 0 GFADRO C[C@H]1C[C@H](N(C)S(=O)(=O)Cc2cc(F)ccc2Br)CC[N@@H+]1C ZINC000656917184 566183197 /nfs/dbraw/zinc/18/31/97/566183197.db2.gz YDPBLGDFZBINGT-SMDDNHRTSA-N 1 0 393.322 2.833 20 0 GFADRO C[C@@H]1OCC[C@]1(C)[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000683147306 566185499 /nfs/dbraw/zinc/18/54/99/566185499.db2.gz WMYRQUUCABDNQG-NVBFEUDRSA-N 1 0 378.694 2.999 20 0 GFADRO O=S1(=O)CCC[C@H]([NH2+]CCOc2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000634963696 566185696 /nfs/dbraw/zinc/18/56/96/566185696.db2.gz BCKHYOMDJPPHJN-NSHDSACASA-N 1 0 386.823 2.690 20 0 GFADRO O=C1[C@@H]([NH2+][C@H]2CCCS(=O)(=O)CC2)CCN1c1ccc(Cl)c(Cl)c1 ZINC000634975502 566185894 /nfs/dbraw/zinc/18/58/94/566185894.db2.gz ZWDBLUGJGUGLTE-NHYWBVRUSA-N 1 0 391.320 2.656 20 0 GFADRO O=S(=O)(N[C@H]1CC[N@H+](CC2CC2)C1)c1ccc(Cl)c(Br)c1 ZINC000683196559 566187376 /nfs/dbraw/zinc/18/73/76/566187376.db2.gz LJGFIMKKWQOPBN-NSHDSACASA-N 1 0 393.734 2.865 20 0 GFADRO C[N@@H+]1CCCC12CCN(C(=O)c1cc(Br)cc3[nH]c(=O)[nH]c31)CC2 ZINC000613231772 566189387 /nfs/dbraw/zinc/18/93/87/566189387.db2.gz JXFXGODRKJTVGQ-UHFFFAOYSA-N 1 0 393.285 2.731 20 0 GFADRO C[N@@H+]1CC[C@@H](CC(=O)Nc2cc(Br)ccc2N2CCOCC2)C1 ZINC000635122044 566195511 /nfs/dbraw/zinc/19/55/11/566195511.db2.gz HGZCWYHIELXLRX-ZDUSSCGKSA-N 1 0 382.302 2.566 20 0 GFADRO C[C@H](NC(=O)c1cc(Br)cc2c1OCCO2)C1=CC[N@H+](C)CC1 ZINC000613375472 566196166 /nfs/dbraw/zinc/19/61/66/566196166.db2.gz NNZODJLHJQWFFP-NSHDSACASA-N 1 0 381.270 2.601 20 0 GFADRO C[N@@H+]1CCC[C@@H](CCNS(=O)(=O)Cc2cc(F)ccc2Br)C1 ZINC000657010926 566205558 /nfs/dbraw/zinc/20/55/58/566205558.db2.gz CCAMGVIDZRVSLS-LBPRGKRZSA-N 1 0 393.322 2.740 20 0 GFADRO C[C@@H]1COCCN1C1CCN(S(=O)(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000657028013 566207828 /nfs/dbraw/zinc/20/78/28/566207828.db2.gz QIVIEWJFZAESSQ-GFCCVEGCSA-N 1 0 393.336 2.867 20 0 GFADRO O=S(=O)(Cc1ccc(Br)cc1)Nc1ccnn1-c1cc[nH+]cc1 ZINC000683708740 566210254 /nfs/dbraw/zinc/21/02/54/566210254.db2.gz LQFWFLDQPGYSCV-UHFFFAOYSA-N 1 0 393.266 2.972 20 0 GFADRO CNS(=O)(=O)Cc1ccc(C[NH2+]Cc2cnc(-c3ccco3)s2)cc1 ZINC000683766826 566213176 /nfs/dbraw/zinc/21/31/76/566213176.db2.gz NKWDVRNFTITXNU-UHFFFAOYSA-N 1 0 377.491 2.742 20 0 GFADRO COc1ccc(S(=O)(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)cc1Br ZINC000657059021 566214393 /nfs/dbraw/zinc/21/43/93/566214393.db2.gz XGSSVMXBTHVEGS-NSHDSACASA-N 1 0 391.331 2.609 20 0 GFADRO Cc1cc(Br)cc2c1[C@@H]([NH2+]CCCN(C)S(C)(=O)=O)CC2 ZINC000683814771 566215208 /nfs/dbraw/zinc/21/52/08/566215208.db2.gz RWQVUVDSKBNIEO-AWEZNQCLSA-N 1 0 375.332 2.616 20 0 GFADRO CNS(=O)(=O)Cc1ccc(C[NH2+][C@@H](COC)c2ccc(Cl)cc2)cc1 ZINC000683814204 566215335 /nfs/dbraw/zinc/21/53/35/566215335.db2.gz CPTOPEWNBIDTGY-SFHVURJKSA-N 1 0 382.913 2.867 20 0 GFADRO Cc1ccc(S(=O)(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)c(Br)c1 ZINC000657063445 566215977 /nfs/dbraw/zinc/21/59/77/566215977.db2.gz XSIHKECVGHORBG-GFCCVEGCSA-N 1 0 375.332 2.909 20 0 GFADRO O=S(=O)(CCc1cccs1)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000657108128 566224185 /nfs/dbraw/zinc/22/41/85/566224185.db2.gz QMMGCFKEMNLEHI-UHFFFAOYSA-N 1 0 379.551 2.517 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)C[N@H+](C)C[C@H]1CNc2ccnn2C1 ZINC000684194889 566229922 /nfs/dbraw/zinc/22/99/22/566229922.db2.gz JFNMUAFGWCRAJJ-CYBMUJFWSA-N 1 0 392.301 2.566 20 0 GFADRO O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)N1CCOc2c(Br)cccc2C1 ZINC000684253168 566231012 /nfs/dbraw/zinc/23/10/12/566231012.db2.gz JQVJGPHGOVTJRN-GJZGRUSLSA-N 1 0 394.313 2.980 20 0 GFADRO C[C@H](N[C@@H]1CC[N@H+](CC2CC2)C1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000684553749 566238152 /nfs/dbraw/zinc/23/81/52/566238152.db2.gz UHFOEOVXOJNXBY-CMPLNLGQSA-N 1 0 392.352 2.776 20 0 GFADRO CN(C(=O)Nc1cccc(-c2nn[nH]n2)c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000736748634 598839048 /nfs/dbraw/zinc/83/90/48/598839048.db2.gz JCRGALUYIAKBGX-UHFFFAOYSA-N 1 0 391.479 2.995 20 0 GFADRO CCOc1ccc(-c2nn[nH]n2)cc1NC(=O)NCC[N@@H+]1CCCC[C@@H]1CC ZINC000736635015 598850586 /nfs/dbraw/zinc/85/05/86/598850586.db2.gz QJWDKTTWZLUEFP-HNNXBMFYSA-N 1 0 387.488 2.651 20 0 GFADRO COc1c(C[NH2+]Cc2cccc(-c3ccc(-c4nn[nH]n4)s3)c2)c(C)nn1C ZINC000737025775 598887595 /nfs/dbraw/zinc/88/75/95/598887595.db2.gz MVRSLPCMUBMPLQ-UHFFFAOYSA-N 1 0 395.492 2.936 20 0 GFADRO CC[NH+](CC)CCCNC(=O)c1occc1COc1cccc(-c2nn[nH]n2)c1 ZINC000736531074 598931195 /nfs/dbraw/zinc/93/11/95/598931195.db2.gz PUJAAANHQSEFBI-UHFFFAOYSA-N 1 0 398.467 2.500 20 0 GFADRO Cc1ccccc1C[C@@H]1CCC[N@@H+]1C[C@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000737428238 598947500 /nfs/dbraw/zinc/94/75/00/598947500.db2.gz VIHVOJRSTPYIGZ-PMACEKPBSA-N 1 0 393.491 2.622 20 0 GFADRO C[C@H]([NH2+][C@H]1CCN(c2ccc(-c3nn[nH]n3)cc2)C1=O)c1ccc(Cl)cc1 ZINC000736129273 598959138 /nfs/dbraw/zinc/95/91/38/598959138.db2.gz COQKUQVJVGJIRE-SJCJKPOMSA-N 1 0 382.855 2.976 20 0 GFADRO C[C@@H]([NH2+][C@@H]1CCN(c2ccc(-c3nn[nH]n3)cc2)C1=O)c1ccc(F)c(F)c1 ZINC000736131944 598959277 /nfs/dbraw/zinc/95/92/77/598959277.db2.gz MAIQKPFPIJWFOA-PIGZYNQJSA-N 1 0 384.390 2.601 20 0 GFADRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(c2c3ccccc3nnc2-c2nn[nH]n2)C1 ZINC000736236081 598959474 /nfs/dbraw/zinc/95/94/74/598959474.db2.gz GWSCBBJAKBWEPW-KFWWJZLASA-N 1 0 378.484 2.652 20 0 GFADRO COc1cc(-c2nn[nH]n2)ccc1OCC[N@H+](C)[C@@H]1CCc2ccccc2C1 ZINC000737033764 598988613 /nfs/dbraw/zinc/98/86/13/598988613.db2.gz SUAMGUDOFBDSOP-GOSISDBHSA-N 1 0 379.464 2.743 20 0 GFADRO C[C@@H](C[NH2+]Cc1cccc(OCc2ccccc2-c2nn[nH]n2)c1)C[C@H](C)O ZINC000736146147 599010774 /nfs/dbraw/zinc/01/07/74/599010774.db2.gz XOASMCFYHNHZOG-CVEARBPZSA-N 1 0 381.480 2.942 20 0 GFADRO C[NH+](C)CCCCNC(=O)c1cccc(COc2cccc(-c3nn[nH]n3)c2)c1 ZINC000736759673 599032996 /nfs/dbraw/zinc/03/29/96/599032996.db2.gz VYKNOQPBXYOKJF-UHFFFAOYSA-N 1 0 394.479 2.517 20 0 GFADRO FC(F)(F)c1ccc(-c2nn[nH]n2)c(N2CC[NH+](Cc3cccs3)CC2)n1 ZINC000737630979 599039996 /nfs/dbraw/zinc/03/99/96/599039996.db2.gz AIMKYYLMTAMYSH-UHFFFAOYSA-N 1 0 395.414 2.664 20 0 GFADRO C[C@@H]1C[C@H](c2ccccc2)C[N@@H+]1[C@H]1CCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000736233707 599079082 /nfs/dbraw/zinc/07/90/82/599079082.db2.gz GXLCYXURGZXPGU-BPAFIMBUSA-N 1 0 388.475 2.850 20 0 GFADRO NC(=O)[C@H]([NH2+]C1CCC(c2ccccc2)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000737730767 599088828 /nfs/dbraw/zinc/08/88/28/599088828.db2.gz LBQXXDSGLSPGDA-XUJQIHCRSA-N 1 0 376.464 2.709 20 0 GFADRO C[C@@H](NC(=O)N1CC[NH+](C2CCC(C)CC2)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000736238854 599104375 /nfs/dbraw/zinc/10/43/75/599104375.db2.gz DZZCYHPXZNGURP-KOHRHEQBSA-N 1 0 397.527 2.834 20 0 GFADRO C[C@H]1CCN(c2nc3c(cc2-c2nn[nH]n2)CCC3)CC[N@@H+]1Cc1ccccc1 ZINC000820727274 599109604 /nfs/dbraw/zinc/10/96/04/599109604.db2.gz JXNZKERXJIKOMX-INIZCTEOSA-N 1 0 389.507 2.851 20 0 GFADRO O=C(CC[N@@H+]1CC[C@@H](Cc2ccccc2)C1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000737839550 599136955 /nfs/dbraw/zinc/13/69/55/599136955.db2.gz VCKWCTXWFZODGW-KRWDZBQOSA-N 1 0 376.464 2.760 20 0 GFADRO C[NH+](C)CC[C@@H](NC(=O)N(Cc1ccc(-c2nn[nH]n2)cc1)C1CC1)C(C)(C)C ZINC000736759184 599189672 /nfs/dbraw/zinc/18/96/72/599189672.db2.gz PJHMMHXMNAZCMJ-GOSISDBHSA-N 1 0 399.543 2.907 20 0 GFADRO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)CCCCOc1cccc(-c2nn[nH]n2)c1 ZINC000736295499 599226839 /nfs/dbraw/zinc/22/68/39/599226839.db2.gz VFMSDUOBUWILPE-SJLPKXTDSA-N 1 0 398.511 2.501 20 0 GFADRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=S)Nc2ccccc2-c2nn[nH]n2)C1 ZINC000821614684 599228267 /nfs/dbraw/zinc/22/82/67/599228267.db2.gz QQILLCCXKMTRHX-MRXNPFEDSA-N 1 0 393.520 2.770 20 0 GFADRO COc1ccc(CNc2ccc(C)cc2OCC[NH+](C)C)cc1-c1nn[nH]n1 ZINC000821821819 607317759 /nfs/dbraw/zinc/31/77/59/607317759.db2.gz YLCOADSXTDRNIQ-UHFFFAOYSA-N 1 0 382.468 2.736 20 0 GFADRO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)Nc1ccc(F)c(-c2nn[nH]n2)c1 ZINC000736457924 599280042 /nfs/dbraw/zinc/28/00/42/599280042.db2.gz RXXROKOMLWNKOT-AWEZNQCLSA-N 1 0 375.452 2.782 20 0 GFADRO CC(C)c1nc(CN(C)[C@H]2CC[N@@H+]([C@@H](C)c3ccc(-c4nn[nH]n4)cc3)C2)no1 ZINC000735940524 599287667 /nfs/dbraw/zinc/28/76/67/599287667.db2.gz PSOIFLKPUIYTNW-YOEHRIQHSA-N 1 0 396.499 2.640 20 0 GFADRO Cc1ccc([C@H](CNC(=O)C=Cc2ccccc2-c2nn[nH]n2)[NH+]2CCCC2)o1 ZINC000737320269 598233831 /nfs/dbraw/zinc/23/38/31/598233831.db2.gz JSJRSKDEBMBHTE-FYGXRCCRSA-N 1 0 392.463 2.735 20 0 GFADRO O=C(CCCC[NH+]1CCCC1)N1CCC(Oc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000737826671 598238425 /nfs/dbraw/zinc/23/84/25/598238425.db2.gz TXNMOBWXSJTMOU-UHFFFAOYSA-N 1 0 398.511 2.503 20 0 GFADRO C[N@H+](CCCOc1ccc(-c2nn[nH]n2)cc1)C[C@H]1OCCc2ccccc21 ZINC000736798088 598258290 /nfs/dbraw/zinc/25/82/90/598258290.db2.gz OJQXLWTXHLBWHT-HXUWFJFHSA-N 1 0 379.464 2.881 20 0 GFADRO c1ccc(-c2ccc(C[NH+]3CCN(c4cccnn4)CC3)cc2)c(-c2nn[nH]n2)c1 ZINC000738448227 598258572 /nfs/dbraw/zinc/25/85/72/598258572.db2.gz MVNGUOTZNYANRH-UHFFFAOYSA-N 1 0 398.474 2.646 20 0 GFADRO CCCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000736478678 598270764 /nfs/dbraw/zinc/27/07/64/598270764.db2.gz AHBCVOCSDCROSN-SFHVURJKSA-N 1 0 399.543 2.909 20 0 GFADRO C[C@H](CNC(=O)Nc1cc(-c2nn[nH]n2)cn1C(C)(C)C)C[NH+]1CCCCC1 ZINC000736017612 598279265 /nfs/dbraw/zinc/27/92/65/598279265.db2.gz QUHBUGVWENEFRZ-CQSZACIVSA-N 1 0 388.520 2.667 20 0 GFADRO Fc1ccc([C@H]([NH2+]Cc2cnc3c(-c4nn[nH]n4)cnn3c2)C2CCC2)cc1 ZINC000737648102 598285547 /nfs/dbraw/zinc/28/55/47/598285547.db2.gz HIRWBSUOGMKTOZ-QGZVFWFLSA-N 1 0 378.415 2.680 20 0 GFADRO Cc1cc(F)ccc1C(=O)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000822204452 607347846 /nfs/dbraw/zinc/34/78/46/607347846.db2.gz PCJOSZIJJKZITE-UHFFFAOYSA-N 1 0 394.454 2.662 20 0 GFADRO O=C(C1CCCCCC1)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000737786572 598297930 /nfs/dbraw/zinc/29/79/30/598297930.db2.gz UNSHZWBQIBGKIB-UHFFFAOYSA-N 1 0 382.512 2.871 20 0 GFADRO CC(C)[N@H+](C)CCNC(=O)Nc1ccc(Oc2cccc(-c3nn[nH]n3)c2)nc1 ZINC000735856151 598304765 /nfs/dbraw/zinc/30/47/65/598304765.db2.gz FNZUZCZFMJGAMS-UHFFFAOYSA-N 1 0 396.455 2.516 20 0 GFADRO COc1ccc(-c2n[nH]cc2C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)cc1 ZINC000737057796 598315331 /nfs/dbraw/zinc/31/53/31/598315331.db2.gz SWKIJLJFMZKKLL-UHFFFAOYSA-N 1 0 379.399 2.694 20 0 GFADRO C[C@H](CNC(=S)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000736268582 598320401 /nfs/dbraw/zinc/32/04/01/598320401.db2.gz YFYDYMQLEVJBJT-VXGBXAGGSA-N 1 0 393.948 2.927 20 0 GFADRO C[C@H](CNC(=S)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)[NH+]1CCCCC1 ZINC000736026858 598321802 /nfs/dbraw/zinc/32/18/02/598321802.db2.gz ZGIUGLVHMYMEPF-LLVKDONJSA-N 1 0 379.921 2.681 20 0 GFADRO O[C@H](COc1ccc(-c2nn[nH]n2)cc1)C[N@@H+]1CCC[C@H](Cc2ccccc2)C1 ZINC000738383261 598373387 /nfs/dbraw/zinc/37/33/87/598373387.db2.gz ACBLOKXPDOOTIY-QUCCMNQESA-N 1 0 393.491 2.561 20 0 GFADRO CCC[C@@H]([NH2+]Cc1cccc(-c2nn[nH]n2)c1)C(=O)N1CCc2sccc2C1 ZINC000736435970 598423371 /nfs/dbraw/zinc/42/33/71/598423371.db2.gz WTJALGKEKHSGSW-QGZVFWFLSA-N 1 0 396.520 2.771 20 0 GFADRO COc1ccc(C)cc1[C@@H](C)[NH2+][C@H](C)C(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000737076840 598431400 /nfs/dbraw/zinc/43/14/00/598431400.db2.gz RJDBWLPZBYGLSG-ZIAGYGMSSA-N 1 0 380.452 2.862 20 0 GFADRO CC1CC[NH+](Cc2ccc(NC(=O)c3ccc(-c4nn[nH]n4)cn3)cc2)CC1 ZINC000736276327 598459046 /nfs/dbraw/zinc/45/90/46/598459046.db2.gz OIELPYVDSUOBRX-UHFFFAOYSA-N 1 0 377.452 2.746 20 0 GFADRO Cc1nn(C)c(Oc2ccccc2)c1C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC000737511144 598465509 /nfs/dbraw/zinc/46/55/09/598465509.db2.gz KWRAXLFTEBIJES-UHFFFAOYSA-N 1 0 375.436 2.991 20 0 GFADRO FC(F)(F)c1ccc(NCCC[NH2+]Cc2cccc(-c3nn[nH]n3)c2)nc1 ZINC000737635046 598465559 /nfs/dbraw/zinc/46/55/59/598465559.db2.gz DVMHPNYTNCKCBU-UHFFFAOYSA-N 1 0 377.374 2.872 20 0 GFADRO CSc1ccc(C[NH2+]C2CCN(c3ccc(-c4nn[nH]n4)cn3)CC2)cc1 ZINC000737191644 598468075 /nfs/dbraw/zinc/46/80/75/598468075.db2.gz SXNRBBPUEUEAGE-UHFFFAOYSA-N 1 0 381.509 2.742 20 0 GFADRO CN1CCC([NH2+]Cc2cccc(OCc3cccc(-c4nn[nH]n4)c3)c2)CC1 ZINC000736855037 598493354 /nfs/dbraw/zinc/49/33/54/598493354.db2.gz IJPGMVYBHDUFBI-UHFFFAOYSA-N 1 0 378.480 2.630 20 0 GFADRO CC[N@H+](C[C@H](O)CN(C)Cc1ccccc1)[C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000736524329 598532502 /nfs/dbraw/zinc/53/25/02/598532502.db2.gz UXVNTSUJFWEPDL-DYESRHJHSA-N 1 0 394.523 2.743 20 0 GFADRO C[C@@H](C(=O)N(CC[NH+](C)C)Cc1cccc(-c2nn[nH]n2)c1)c1ccccc1F ZINC000735514759 598555733 /nfs/dbraw/zinc/55/57/33/598555733.db2.gz VQBBBOVAATYMHZ-OAHLLOKOSA-N 1 0 396.470 2.700 20 0 GFADRO C[C@@H]([NH2+]CCC(=O)Nc1sccc1-c1nn[nH]n1)c1cc(F)ccc1F ZINC000736133513 598559484 /nfs/dbraw/zinc/55/94/84/598559484.db2.gz HMPSODFUCDMPKF-SECBINFHSA-N 1 0 378.408 2.886 20 0 GFADRO C[C@H](Cn1ccnc1)[NH2+]Cc1cccc(OCc2ccccc2-c2nn[nH]n2)c1 ZINC000736096429 598561244 /nfs/dbraw/zinc/56/12/44/598561244.db2.gz MABQXUDRZXHGGJ-MRXNPFEDSA-N 1 0 389.463 2.821 20 0 GFADRO CN1CCC[C@@H]([NH2+]Cc2cccc(OCc3ccccc3-c3nn[nH]n3)c2)C1 ZINC000736858485 598562117 /nfs/dbraw/zinc/56/21/17/598562117.db2.gz SDLXROSFVLCKRQ-GOSISDBHSA-N 1 0 378.480 2.630 20 0 GFADRO O=C(Nc1ccc(F)c(-c2nn[nH]n2)c1)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000738160825 598598617 /nfs/dbraw/zinc/59/86/17/598598617.db2.gz CLLGASLJJHNJGT-CQSZACIVSA-N 1 0 398.417 2.996 20 0 GFADRO Fc1ccc(Cl)c2c1ncc(-c1nn[nH]n1)c2NCC[NH+]1CCCCC1 ZINC000737658034 598600861 /nfs/dbraw/zinc/60/08/61/598600861.db2.gz BWOLKRNECVAAPI-UHFFFAOYSA-N 1 0 375.839 2.527 20 0 GFADRO CC1CC[NH+](CCCCNC(=O)Nc2ccc(F)c(-c3nn[nH]n3)c2)CC1 ZINC000736276792 598628799 /nfs/dbraw/zinc/62/87/99/598628799.db2.gz QFSTVMHUHBGBLM-UHFFFAOYSA-N 1 0 375.452 2.639 20 0 GFADRO C[NH+](C)CCN(C(=O)CSc1ccc(-c2nn[nH]n2)cc1)C1CCCCC1 ZINC000736768250 598656667 /nfs/dbraw/zinc/65/66/67/598656667.db2.gz ZHCBNSLRHXHPPO-UHFFFAOYSA-N 1 0 388.541 2.682 20 0 GFADRO C[NH+]1CCC(CNC(=O)c2cccc(Oc3ccc(-c4nn[nH]n4)cc3)c2)CC1 ZINC000736849410 598668788 /nfs/dbraw/zinc/66/87/88/598668788.db2.gz TZCCAUIAHDJONY-UHFFFAOYSA-N 1 0 392.463 2.731 20 0 GFADRO C[NH+](C)[C@@H]1CCCN(c2c(-c3nn[nH]n3)cnc3c(F)ccc(Cl)c32)C1 ZINC000736756507 598670706 /nfs/dbraw/zinc/67/07/06/598670706.db2.gz KCQAYHSDOSPQDI-SNVBAGLBSA-N 1 0 375.839 2.738 20 0 GFADRO Cc1cc(C)c(-c2nn[nH]n2)c(NCc2ccc(OCCC[NH+](C)C)cc2)n1 ZINC000737240548 598674345 /nfs/dbraw/zinc/67/43/45/598674345.db2.gz LJLJTJHSEUCUNZ-UHFFFAOYSA-N 1 0 381.484 2.821 20 0 GFADRO CC[N@@H+]1CCCN(C(=O)c2cccc(Oc3ccc(-c4nn[nH]n4)cc3)c2)CC1 ZINC000736570137 598701801 /nfs/dbraw/zinc/70/18/01/598701801.db2.gz NSIVPXGYJPOLHZ-UHFFFAOYSA-N 1 0 392.463 2.827 20 0 GFADRO COCC[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)Cc1cc2ccccc2[nH]c1=O ZINC000737003184 598702798 /nfs/dbraw/zinc/70/27/98/598702798.db2.gz WHFFNXVDOURMOX-UHFFFAOYSA-N 1 0 390.447 2.769 20 0 GFADRO Brc1ccccc1N1CC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000735375519 598713442 /nfs/dbraw/zinc/71/34/42/598713442.db2.gz MOLNBGSXVHZYHJ-HNNXBMFYSA-N 1 0 399.296 2.998 20 0 GFADRO O=C(NCc1cccc(-c2nn[nH]n2)c1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000738112692 598726284 /nfs/dbraw/zinc/72/62/84/598726284.db2.gz QVVVTYUDGJXABR-SFHVURJKSA-N 1 0 397.527 2.664 20 0 GFADRO CCS[C@H]1CCCC[N@@H+]([C@H]2CCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)C1 ZINC000736666377 598749292 /nfs/dbraw/zinc/74/92/92/598749292.db2.gz RRJFVYBLMNBJCM-IRXDYDNUSA-N 1 0 386.525 2.580 20 0 GFADRO COc1ccccc1C(C)(C)[NH2+]CCC(=O)Nc1sccc1-c1nn[nH]n1 ZINC000737137787 598764121 /nfs/dbraw/zinc/76/41/21/598764121.db2.gz JJSNAWZJSNEPII-UHFFFAOYSA-N 1 0 386.481 2.790 20 0 GFADRO Cc1ccccc1[C@@H](CC(C)C)[NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000737424017 598778525 /nfs/dbraw/zinc/77/85/25/598778525.db2.gz UERPDGYTVVFDRG-CRAIPNDOSA-N 1 0 380.500 2.790 20 0 GFADRO C[NH+](C)CCNC(=S)Nc1cccc(Oc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000736770073 598788882 /nfs/dbraw/zinc/78/88/82/598788882.db2.gz ZFJRGDNSYQLEQM-UHFFFAOYSA-N 1 0 383.481 2.507 20 0 GFADRO CC[C@@H](CC(=O)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)C(C)C ZINC000736333423 598815960 /nfs/dbraw/zinc/81/59/60/598815960.db2.gz PZSGFQMKTZLPFP-SFHVURJKSA-N 1 0 384.528 2.973 20 0 GFADRO O=C(Nc1ccc(-c2nn[nH]n2)c(C(F)(F)F)c1)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000823303648 599295380 /nfs/dbraw/zinc/29/53/80/599295380.db2.gz PORDKIUGKOXXMQ-KBPBESRZSA-N 1 0 395.389 2.634 20 0 GFADRO O[C@H](C[N@@H+]1CCCN(c2ccccc2-c2nn[nH]n2)CC1)c1cccc(Cl)c1 ZINC000823683297 599305625 /nfs/dbraw/zinc/30/56/25/599305625.db2.gz ZKPIAMDPOZXNAZ-LJQANCHMSA-N 1 0 398.898 2.766 20 0 GFADRO C[C@H]([NH2+]C[C@H](c1cccs1)N1CCOCC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000736130706 599306824 /nfs/dbraw/zinc/30/68/24/599306824.db2.gz IGJSFZBSROPVNO-WMLDXEAASA-N 1 0 384.509 2.652 20 0 GFADRO Cc1ccc(N2CCC[C@@H]([N@@H+](C)[C@@H](C)c3ccc(-c4nn[nH]n4)cc3)C2)nn1 ZINC000737351663 599317930 /nfs/dbraw/zinc/31/79/30/599317930.db2.gz MQUFAWKGRFKNRS-MAUKXSAKSA-N 1 0 378.484 2.627 20 0 GFADRO Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)n1C[NH+]1CCC(C(F)(F)F)CC1 ZINC000822505361 599330331 /nfs/dbraw/zinc/33/03/31/599330331.db2.gz KDXYDMPXOCBWTG-UHFFFAOYSA-N 1 0 392.389 2.665 20 0 GFADRO CCn1cc(C[NH2+]Cc2cccc(OCc3ccccc3-c3nn[nH]n3)c2)cn1 ZINC000736722476 599333388 /nfs/dbraw/zinc/33/33/88/599333388.db2.gz MWNBBOKZJKOBDN-UHFFFAOYSA-N 1 0 389.463 2.952 20 0 GFADRO CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)C(=O)Nc2cccc(-c3nn[nH]n3)c2)C12CCCC2 ZINC000821360340 599386625 /nfs/dbraw/zinc/38/66/25/599386625.db2.gz QUHXSEHEPGWCIL-IAOVAPTHSA-N 1 0 384.484 2.521 20 0 GFADRO CC[C@@H](C)NC(=O)c1cccc(C[NH2+]Cc2ccc(OC)c(-c3nn[nH]n3)c2)c1 ZINC000820876985 599405443 /nfs/dbraw/zinc/40/54/43/599405443.db2.gz XRHGOBLYBFTEPW-CQSZACIVSA-N 1 0 394.479 2.693 20 0 GFADRO COc1ccc(C[NH2+]C[C@@H](O)c2ccccc2C(F)(F)F)cc1-c1nn[nH]n1 ZINC000821809575 599417232 /nfs/dbraw/zinc/41/72/32/599417232.db2.gz PBVPAEZAHJZTKB-OAHLLOKOSA-N 1 0 393.369 2.717 20 0 GFADRO C[C@@H](NC(=O)NCCCC[NH+]1CCC(C)CC1)c1cccc(-c2nn[nH]n2)c1 ZINC000820722913 599417293 /nfs/dbraw/zinc/41/72/93/599417293.db2.gz RIKDAQIUERHRAM-MRXNPFEDSA-N 1 0 385.516 2.739 20 0 GFADRO c1csc(CC[NH+]2CCN(c3cc(-c4nn[nH]n4)c4ccccc4n3)CC2)c1 ZINC000738452289 599417480 /nfs/dbraw/zinc/41/74/80/599417480.db2.gz NXSQWZHANKJUQH-UHFFFAOYSA-N 1 0 391.504 2.841 20 0 GFADRO COc1ccc(C[NH2+][C@H](C)c2ccc(N3CCOC3=O)cc2)cc1-c1nn[nH]n1 ZINC000821805562 599417624 /nfs/dbraw/zinc/41/76/24/599417624.db2.gz VDEOSTKIISTGJT-CYBMUJFWSA-N 1 0 394.435 2.683 20 0 GFADRO COc1ccc(C[NH2+]C[C@@H](c2ccc(C)o2)N2CCCC2)cc1-c1nn[nH]n1 ZINC000821808796 599422334 /nfs/dbraw/zinc/42/23/34/599422334.db2.gz JXNMVKSBPKNGCE-KRWDZBQOSA-N 1 0 382.468 2.703 20 0 GFADRO COc1ccc2[nH]cc(CC[NH2+]Cc3ccc(OC)c(-c4nn[nH]n4)c3)c2c1 ZINC000821849824 599437394 /nfs/dbraw/zinc/43/73/94/599437394.db2.gz RSNMFJKWEWFJDQ-UHFFFAOYSA-N 1 0 378.436 2.698 20 0 GFADRO COc1ccc(C[NH2+]C[C@@H](NC(=O)OC(C)(C)C)C(C)C)cc1-c1nn[nH]n1 ZINC000821809173 599439118 /nfs/dbraw/zinc/43/91/18/599439118.db2.gz MNAFCTIHTIJIKO-OAHLLOKOSA-N 1 0 390.488 2.514 20 0 GFADRO C[C@H]([NH2+]Cc1cccc(OCc2ccccc2-c2nn[nH]n2)c1)[C@@H]1CCOC1 ZINC000820438804 599449009 /nfs/dbraw/zinc/44/90/09/599449009.db2.gz WVEJNQYDJFVTEO-DOTOQJQBSA-N 1 0 379.464 2.960 20 0 GFADRO C[C@@H]([NH2+]Cc1cccc(OCc2ccccc2-c2nn[nH]n2)c1)[C@@H]1CCOC1 ZINC000820438805 599449231 /nfs/dbraw/zinc/44/92/31/599449231.db2.gz WVEJNQYDJFVTEO-NVXWUHKLSA-N 1 0 379.464 2.960 20 0 GFADRO CC(C)(C)OC(=O)N1CCC[C@H](C[NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC000819933012 599455157 /nfs/dbraw/zinc/45/51/57/599455157.db2.gz BSULOTFEHWCLKD-CYBMUJFWSA-N 1 0 390.463 2.743 20 0 GFADRO C[C@@H](OCCC[NH2+]Cc1cnc2ccc(-c3nn[nH]n3)cn12)c1ccccc1 ZINC000736165456 599482143 /nfs/dbraw/zinc/48/21/43/599482143.db2.gz VCALNXSIYCUBSO-OAHLLOKOSA-N 1 0 377.452 2.772 20 0 GFADRO CN(C)[C@H](C[NH2+]Cc1cnc2ccc(-c3nn[nH]n3)cn12)c1ccccc1Cl ZINC000736757826 599482596 /nfs/dbraw/zinc/48/25/96/599482596.db2.gz FEMGHWCJQQBSCR-QGZVFWFLSA-N 1 0 396.886 2.560 20 0 GFADRO Brc1cc(C[NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)cs1 ZINC000735368410 599484128 /nfs/dbraw/zinc/48/41/28/599484128.db2.gz LTUKOUWFPGXVJF-UHFFFAOYSA-N 1 0 390.270 2.628 20 0 GFADRO Cc1cccc2c1ncc(-c1nn[nH]n1)c2NC[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000822334432 599486298 /nfs/dbraw/zinc/48/62/98/599486298.db2.gz CWZDUFBGHMTFCY-SFHVURJKSA-N 1 0 391.454 2.999 20 0 GFADRO C[C@H]1CN(c2ccc(-c3nn[nH]n3)c(Cl)c2)CC[N@@H+]1C[C@H](O)c1ccccc1 ZINC000820768771 599531043 /nfs/dbraw/zinc/53/10/43/599531043.db2.gz PNLRDDDXJMEUMF-LIRRHRJNSA-N 1 0 398.898 2.764 20 0 GFADRO CCS[C@@H]1CC[C@@H]([N@H+](C)CCOc2ccc(-c3nn[nH]n3)cc2OC)C1 ZINC000821449824 599592910 /nfs/dbraw/zinc/59/29/10/599592910.db2.gz XVFCLTKQEXENNP-HUUCEWRRSA-N 1 0 377.514 2.860 20 0 GFADRO OC[C@@H]1CCC[N@H+](Cc2cccc(OCc3ccccc3-c3nn[nH]n3)c2)C1 ZINC000823713169 607386180 /nfs/dbraw/zinc/38/61/80/607386180.db2.gz DQLNFAWWGGSJGI-QGZVFWFLSA-N 1 0 379.464 2.650 20 0 GFADRO O=C(CC[N@H+](C[C@H]1CCCO1)C1CCCC1)Nc1cccc(-c2nn[nH]n2)c1 ZINC000822964222 599642036 /nfs/dbraw/zinc/64/20/36/599642036.db2.gz GJPBYEGXJHLIBH-GOSISDBHSA-N 1 0 384.484 2.619 20 0 GFADRO C[C@H]1C[NH+](CCC(=O)Nc2sc3c(c2-c2nn[nH]n2)CCC3)C[C@H](C)S1 ZINC000820759320 599642395 /nfs/dbraw/zinc/64/23/95/599642395.db2.gz JGPDEAUODLEAKN-QWRGUYRKSA-N 1 0 392.554 2.571 20 0 GFADRO C[C@@H](NC(=O)N[C@H](C[NH+](C)C)c1ccccc1)c1cccc(-c2nn[nH]n2)c1 ZINC000820349820 599666525 /nfs/dbraw/zinc/66/65/25/599666525.db2.gz IWWNXDNPZJAFRO-RDTXWAMCSA-N 1 0 379.468 2.530 20 0 GFADRO CC[NH+](CC)[C@H](CNC(=O)N[C@@H](C)c1cccc(-c2nn[nH]n2)c1)CC(C)C ZINC000821180727 599667106 /nfs/dbraw/zinc/66/71/06/599667106.db2.gz GHBPSFWHRVVXBY-YJBOKZPZSA-N 1 0 387.532 2.983 20 0 GFADRO C[C@H]([NH2+]C1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1)c1ccc(F)c(F)c1 ZINC000820413258 599694019 /nfs/dbraw/zinc/69/40/19/599694019.db2.gz PKUHUKQQXFEHKD-LBPRGKRZSA-N 1 0 385.422 2.860 20 0 GFADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)Nc1ccc(OC(C)C)c(-c2nn[nH]n2)c1 ZINC000820901995 607424092 /nfs/dbraw/zinc/42/40/92/607424092.db2.gz HCFITROCQRINJO-AWEZNQCLSA-N 1 0 387.488 2.650 20 0 GFADRO Cc1oc(NC(=O)C[NH2+]C2(c3ccc(F)cc3)CCC2)c(-c2nn[nH]n2)c1C ZINC000826341602 607432519 /nfs/dbraw/zinc/43/25/19/607432519.db2.gz LTVPDAVQQMHHBW-UHFFFAOYSA-N 1 0 384.415 2.823 20 0 GFADRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)NC1(c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000824875724 607453142 /nfs/dbraw/zinc/45/31/42/607453142.db2.gz OCEKCBFSCMOCBY-OAGGEKHMSA-N 1 0 397.527 2.521 20 0 GFADRO C[NH+](C)CC[C@H](NC(=O)NC1(c2cccc(-c3nn[nH]n3)c2)CC1)C(C)(C)C ZINC000825859161 607457587 /nfs/dbraw/zinc/45/75/87/607457587.db2.gz DFANNXFTQKNLLZ-INIZCTEOSA-N 1 0 385.516 2.521 20 0 GFADRO Cc1nc([C@@H](C)[NH2+]C2CCN(c3ccc(-c4nn[nH]n4)cn3)CC2)c(C)s1 ZINC000822427790 607466862 /nfs/dbraw/zinc/46/68/62/607466862.db2.gz VCOVPJPNSQUHMH-LLVKDONJSA-N 1 0 384.513 2.655 20 0 GFADRO C[C@H]([C@@H]1Cc2ccccc2O1)[N@H+](C)CCC(=O)Nc1sccc1-c1nn[nH]n1 ZINC000824377781 607472143 /nfs/dbraw/zinc/47/21/43/607472143.db2.gz MZERXNOXDIIVCP-WBMJQRKESA-N 1 0 398.492 2.581 20 0 GFADRO C[C@H]([C@@H]1Cc2ccccc2O1)[N@H+](C)CCC(=O)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000824378127 607472678 /nfs/dbraw/zinc/47/26/78/607472678.db2.gz ZCFCOYJHCVJRIM-KUHUBIRLSA-N 1 0 392.463 2.519 20 0 GFADRO C[C@@H]([C@@H]1Cc2ccccc2O1)[N@H+](C)CCC(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000824377326 607472766 /nfs/dbraw/zinc/47/27/66/607472766.db2.gz BWFWYAJPIPZNBS-LIRRHRJNSA-N 1 0 392.463 2.519 20 0 GFADRO CC(C)(C)OC(=O)N1CC[C@@H]([N@H+](Cc2ccccc2-c2nn[nH]n2)C2CC2)C1 ZINC000824104814 607473702 /nfs/dbraw/zinc/47/37/02/607473702.db2.gz YOPPGGFFZPMPKS-MRXNPFEDSA-N 1 0 384.484 2.841 20 0 GFADRO O[C@H](C[C@@H]1CCC[N@@H+]1C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1)c1ccc(F)cc1 ZINC000826502248 607475878 /nfs/dbraw/zinc/47/58/78/607475878.db2.gz ZZKRLMWDRKMLFD-XUVXKRRUSA-N 1 0 397.454 2.627 20 0 GFADRO O[C@H](C[C@H]1CCC[N@@H+]1CCOc1ccccc1-c1nn[nH]n1)c1ccc(F)cc1 ZINC000826503235 607476432 /nfs/dbraw/zinc/47/64/32/607476432.db2.gz TZCCKTAMBSHKGP-IEBWSBKVSA-N 1 0 397.454 2.973 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(C)c(C(=O)[O-])c1 ZINC000829765535 601144936 /nfs/dbraw/zinc/14/49/36/601144936.db2.gz YAZZSTLWDBNHFQ-QGZVFWFLSA-N 1 0 376.501 2.573 20 0 GFADRO COc1ccc(-c2nn[nH]n2)cc1C[N@@H+]1CCCN(Cc2ccc(F)cc2)CC1 ZINC000826183216 607512535 /nfs/dbraw/zinc/51/25/35/607512535.db2.gz IFGBJWGFFWHBMI-UHFFFAOYSA-N 1 0 396.470 2.722 20 0 GFADRO CC[NH+](CC)Cc1ccc(CNC(=O)c2ccc(-c3nn[nH]n3)cc2C)cc1 ZINC000825415887 607650952 /nfs/dbraw/zinc/65/09/52/607650952.db2.gz FJBQZHBUDOHAKF-UHFFFAOYSA-N 1 0 378.480 2.947 20 0 GFADRO CCc1cccc(CC(=O)N(CC[NH+](C)C)Cc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000825723030 607699310 /nfs/dbraw/zinc/69/93/10/607699310.db2.gz RCSOYLVZAIPMMZ-UHFFFAOYSA-N 1 0 392.507 2.562 20 0 GFADRO Cc1cc(-c2nn[nH]n2)ccc1C(=O)N[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000826246499 607704728 /nfs/dbraw/zinc/70/47/28/607704728.db2.gz FOKAXOAOTPNOIW-YJBOKZPZSA-N 1 0 376.464 2.568 20 0 GFADRO C[C@@H](c1ccncc1)N1CCC([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)CC1 ZINC000824779329 607707034 /nfs/dbraw/zinc/70/70/34/607707034.db2.gz UOFYBTDVBAXQDQ-AWEZNQCLSA-N 1 0 381.459 2.716 20 0 GFADRO O[C@@H](C[N@@H+]1CC[C@H](Oc2ccccc2Cl)C1)c1ccc(-c2nn[nH]n2)cc1 ZINC000826503390 607752460 /nfs/dbraw/zinc/75/24/60/607752460.db2.gz WPCSEMWDBYUXEV-RDJZCZTQSA-N 1 0 385.855 2.707 20 0 GFADRO O=C([O-])NC[C@@H]1CCCC[C@@H]1[NH2+]CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000834224477 605611641 /nfs/dbraw/zinc/61/16/41/605611641.db2.gz YKGWIQQTZYXJIZ-ACRUOGEOSA-N 1 0 389.540 2.848 20 0 GFADRO CN(Cc1cc(-c2nn[nH]n2)ccc1F)C1CC[NH+](CCc2ccccn2)CC1 ZINC000821607337 606076788 /nfs/dbraw/zinc/07/67/88/606076788.db2.gz KMPRLADMWDKSNV-UHFFFAOYSA-N 1 0 395.486 2.540 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)Nc1ccc(-c2nn[nH]n2)cc1)c1ccc(Cl)cc1 ZINC000821579534 606114901 /nfs/dbraw/zinc/11/49/01/606114901.db2.gz FLNRKKQSGZNODS-INIZCTEOSA-N 1 0 385.859 2.945 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)Nc1cc(-c2nn[nH]n2)ccc1OC(C)C ZINC000821253114 606120345 /nfs/dbraw/zinc/12/03/45/606120345.db2.gz CTUPZEBESOEJKM-OAHLLOKOSA-N 1 0 387.488 2.602 20 0 GFADRO CC(C)OCC[NH+]1CCC(Nc2nc(C(F)(F)F)ccc2-c2nn[nH]n2)CC1 ZINC000820147078 606164475 /nfs/dbraw/zinc/16/44/75/606164475.db2.gz ZCPHRSGJABIRFN-UHFFFAOYSA-N 1 0 399.421 2.582 20 0 GFADRO C[NH+](C)CCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)N[C@H]1CCCC1(C)C ZINC000821586316 606176653 /nfs/dbraw/zinc/17/66/53/606176653.db2.gz SIUJDFSMBHXOLJ-KRWDZBQOSA-N 1 0 385.516 2.519 20 0 GFADRO C[C@@H]1CC[N@H+](CCS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)[C@H]2CCCC[C@H]12 ZINC000820723127 606189501 /nfs/dbraw/zinc/18/95/01/606189501.db2.gz WMDSXKZQZLYQKY-OLMNPRSZSA-N 1 0 389.525 2.541 20 0 GFADRO CCN(C[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2F)C1)CC(F)(F)F ZINC000821197979 606191478 /nfs/dbraw/zinc/19/14/78/606191478.db2.gz PYBZJRBMMUNTON-LBPRGKRZSA-N 1 0 386.397 2.712 20 0 GFADRO COc1cccc([C@H](C[NH2+]Cc2cc(-c3nn[nH]n3)cs2)N2CCCC2)c1 ZINC000821859255 606207313 /nfs/dbraw/zinc/20/73/13/606207313.db2.gz MZKGKNYWXDIQMA-SFHVURJKSA-N 1 0 384.509 2.864 20 0 GFADRO O=C(Nc1cccc(C[NH2+]Cc2cc(-c3nn[nH]n3)cs2)c1)c1ccncc1 ZINC000823363386 606213527 /nfs/dbraw/zinc/21/35/27/606213527.db2.gz ARIKGVSMLWWUNH-UHFFFAOYSA-N 1 0 391.460 2.865 20 0 GFADRO CN(CC[NH+](C)C)C(=O)c1ccccc1SCc1ccc(-c2nn[nH]n2)cc1 ZINC000821584640 606291444 /nfs/dbraw/zinc/29/14/44/606291444.db2.gz MHWNULJTVJMIHA-UHFFFAOYSA-N 1 0 396.520 2.793 20 0 GFADRO O=C1[C@@H]([N@@H+]2CC[C@H](c3ccccc3)C2)CCN1c1sccc1-c1nn[nH]n1 ZINC000823504098 606318229 /nfs/dbraw/zinc/31/82/29/606318229.db2.gz MALNTSWKJBHBBM-HOCLYGCPSA-N 1 0 380.477 2.523 20 0 GFADRO CC(C)(C)OC(=O)NC[C@](C)([NH2+]Cc1cc(-c2nn[nH]n2)cs1)C1CC1 ZINC000819940245 606337061 /nfs/dbraw/zinc/33/70/61/606337061.db2.gz UIVXJGMULWZWQM-KRWDZBQOSA-N 1 0 378.502 2.711 20 0 GFADRO O=C(NC[C@H]1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1)c1ccccc1 ZINC000823175385 606379330 /nfs/dbraw/zinc/37/93/30/606379330.db2.gz HGBBWTYRMPWUEL-QGZVFWFLSA-N 1 0 376.464 2.509 20 0 GFADRO CCOc1ccc(-c2nn[nH]n2)cc1NC(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000821406594 606382360 /nfs/dbraw/zinc/38/23/60/606382360.db2.gz JEKSEJOPHDLQCG-UHFFFAOYSA-N 1 0 399.499 2.794 20 0 GFADRO C[C@@H]([NH2+]Cc1ccc(-c2nn[nH]n2)s1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000820433553 606414641 /nfs/dbraw/zinc/41/46/41/606414641.db2.gz ZCDHVJFOIXAXNG-CYBMUJFWSA-N 1 0 397.508 2.645 20 0 GFADRO C[C@@H](CCc1ccccc1)[NH2+]C1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1 ZINC000820254620 606426973 /nfs/dbraw/zinc/42/69/73/606426973.db2.gz SDKSMDYIJXKVKC-INIZCTEOSA-N 1 0 377.496 2.841 20 0 GFADRO O[C@@H](COc1ccc(-c2nn[nH]n2)cc1)C[NH+]1CCC(c2cccc(F)c2)CC1 ZINC000823690832 606455959 /nfs/dbraw/zinc/45/59/59/606455959.db2.gz VWCQYZCBBRSJIL-LJQANCHMSA-N 1 0 397.454 2.625 20 0 GFADRO Cc1ncc(C[NH2+]CCOc2ccc(-c3nn[nH]n3)cc2)n1-c1ccccc1 ZINC000822472683 606474740 /nfs/dbraw/zinc/47/47/40/606474740.db2.gz WTPDBADLHDKFDQ-UHFFFAOYSA-N 1 0 375.436 2.529 20 0 GFADRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cc(-c2nn[nH]n2)cs1 ZINC000821197118 606520310 /nfs/dbraw/zinc/52/03/10/606520310.db2.gz GGLAFRPNMRLPEW-MRXNPFEDSA-N 1 0 396.520 2.912 20 0 GFADRO COc1cc(-c2nn[nH]n2)ccc1OCC[N@@H+]1CCS[C@H]2CCCC[C@H]21 ZINC000821702516 606525531 /nfs/dbraw/zinc/52/55/31/606525531.db2.gz WBOYGDLJTBVNCK-PBHICJAKSA-N 1 0 375.498 2.614 20 0 GFADRO Cc1ccccc1C[NH+]1CCC(NC(=O)c2ccc(-c3nn[nH]n3)s2)CC1 ZINC000822356124 606527456 /nfs/dbraw/zinc/52/74/56/606527456.db2.gz JXCRLWWBXXWIEL-UHFFFAOYSA-N 1 0 382.493 2.631 20 0 GFADRO Cc1ccc([C@@H](CNC(=O)c2ccc(-c3nn[nH]n3)s2)[NH+]2CCCC2)cc1 ZINC000822230410 606539878 /nfs/dbraw/zinc/53/98/78/606539878.db2.gz FPCBUYBOKOQKLS-OAHLLOKOSA-N 1 0 382.493 2.804 20 0 GFADRO CCCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000821104634 606603926 /nfs/dbraw/zinc/60/39/26/606603926.db2.gz LDZMMLYGEQHTPN-QZTJIDSGSA-N 1 0 385.516 2.661 20 0 GFADRO C[C@@H](NC(=O)N(Cc1ccc(-c2nn[nH]n2)cc1)C1CC1)C(C)(C)C[NH+](C)C ZINC000820339505 606640796 /nfs/dbraw/zinc/64/07/96/606640796.db2.gz DCMIRCQTUJHJEH-CQSZACIVSA-N 1 0 385.516 2.517 20 0 GFADRO OCC1CC[NH+](Cc2cccc(NCc3ccc(-c4nn[nH]n4)cc3)c2)CC1 ZINC000823715611 606657712 /nfs/dbraw/zinc/65/77/12/606657712.db2.gz VRBAUJNJOMGSBU-UHFFFAOYSA-N 1 0 378.480 2.683 20 0 GFADRO C[C@@H](C(=O)Nc1cccc(-c2nn[nH]n2)c1)[N@@H+]1CC[C@@](C)(c2ccccc2)C1 ZINC000819866567 606717295 /nfs/dbraw/zinc/71/72/95/606717295.db2.gz NYZBIFCAJIFDRD-YCRPNKLZSA-N 1 0 376.464 2.857 20 0 GFADRO CC[C@H](CCO)C[NH2+]Cc1cccc(OCc2cccc(-c3nn[nH]n3)c2)c1 ZINC000820901978 606725685 /nfs/dbraw/zinc/72/56/85/606725685.db2.gz GTHCYZKMAYQIRG-MRXNPFEDSA-N 1 0 381.480 2.944 20 0 GFADRO COc1cc(C[N@@H+]2CC[C@H](Nc3ccc(F)cc3-c3nn[nH]n3)C2)cc(OC)c1 ZINC000821717183 606728012 /nfs/dbraw/zinc/72/80/12/606728012.db2.gz JVEOGGMXGVFODQ-HNNXBMFYSA-N 1 0 398.442 2.709 20 0 GFADRO CC(C)Oc1ccc(-c2nn[nH]n2)cc1NC(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000820151706 606832731 /nfs/dbraw/zinc/83/27/31/606832731.db2.gz NCKJFVOWWXFMBV-XJKSGUPXSA-N 1 0 387.488 2.504 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)[C@H](C)C1 ZINC000821255026 606834374 /nfs/dbraw/zinc/83/43/74/606834374.db2.gz SDNLJMKOCQIUEU-ABAIWWIYSA-N 1 0 377.880 2.714 20 0 GFADRO CCN(CC)[C@H](C[NH2+]C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1)c1ccsc1 ZINC000821180246 606854267 /nfs/dbraw/zinc/85/42/67/606854267.db2.gz AROYDXLCFWDTFY-QZTJIDSGSA-N 1 0 386.525 2.634 20 0 GFADRO COc1ccccc1OCC[N@H+](C)CCCOc1cccc(-c2nn[nH]n2)c1 ZINC000821903679 606888039 /nfs/dbraw/zinc/88/80/39/606888039.db2.gz KJCNGNHXJIFOKM-UHFFFAOYSA-N 1 0 383.452 2.655 20 0 GFADRO CCO[C@@H]1C[C@@H]([N@H+](C)C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)C12CCCCC2 ZINC000821358226 606902715 /nfs/dbraw/zinc/90/27/15/606902715.db2.gz ILGKRNCURXPMQC-GUDVDZBRSA-N 1 0 385.512 2.960 20 0 GFADRO CCc1nnc(NCc2cccc(C[N@@H+](C)CC)c2)c(-c2nn[nH]n2)c1CC ZINC000821541917 606911881 /nfs/dbraw/zinc/91/18/81/606911881.db2.gz CVLXGMIFJQYCGT-UHFFFAOYSA-N 1 0 380.500 2.845 20 0 GFADRO O[C@H](C[N@@H+]1CCC[C@H](c2nc3ccccc3o2)C1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823681646 606920221 /nfs/dbraw/zinc/92/02/21/606920221.db2.gz IBAFCIXUGDWKQT-FUHWJXTLSA-N 1 0 390.447 2.921 20 0 GFADRO O[C@@H](C[NH+]1CCC(c2nc3ccccc3[nH]2)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823672697 606925442 /nfs/dbraw/zinc/92/54/42/606925442.db2.gz GFEAFYPRCDGGTH-IBGZPJMESA-N 1 0 389.463 2.656 20 0 GFADRO COC(=O)[C@H](C)[C@H]([NH2+]CCCOc1cccc(-c2nn[nH]n2)c1)c1ccccc1 ZINC000821638938 606930207 /nfs/dbraw/zinc/93/02/07/606930207.db2.gz LRCSVBMSWIGFHT-BEFAXECRSA-N 1 0 395.463 2.776 20 0 GFADRO CC[C@@H](C(=O)Nc1cccc(OCc2cccc(-c3nn[nH]n3)c2)c1)[NH+](C)C ZINC000820843182 606968975 /nfs/dbraw/zinc/96/89/75/606968975.db2.gz UZLHWOXZXYHSRV-SFHVURJKSA-N 1 0 380.452 2.724 20 0 GFADRO C[C@H](CCc1ccc(F)cc1)[NH2+]C1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1 ZINC000820252730 607047836 /nfs/dbraw/zinc/04/78/36/607047836.db2.gz CLIJQVXZDMUSNQ-OAHLLOKOSA-N 1 0 395.486 2.981 20 0 GFADRO CCOc1ccc([C@H](C)[NH2+]C2CCN(c3ccc(-c4nn[nH]n4)cn3)CC2)cc1 ZINC000821417352 607048106 /nfs/dbraw/zinc/04/81/06/607048106.db2.gz MFPAEJWENANCOR-HNNXBMFYSA-N 1 0 393.495 2.980 20 0 GFADRO C[C@@H](CC(=O)Nc1cccnc1Cl)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC000820225178 607054936 /nfs/dbraw/zinc/05/49/36/607054936.db2.gz CLUQNMMDDJVNLH-JTQLQIEISA-N 1 0 389.822 2.561 20 0 GFADRO COc1cccc([C@@H](C)[NH+]2CCN(Cc3cc(F)ccc3-c3nn[nH]n3)CC2)c1 ZINC000821860122 607064205 /nfs/dbraw/zinc/06/42/05/607064205.db2.gz XIYFKIDCRRQQRV-OAHLLOKOSA-N 1 0 396.470 2.893 20 0 GFADRO Cc1nc2ccccn2c1C[NH+]1CCC(Oc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000822461996 607064930 /nfs/dbraw/zinc/06/49/30/607064930.db2.gz BXCOSJDXIIIYFQ-UHFFFAOYSA-N 1 0 389.463 2.866 20 0 GFADRO C[C@H](C(=O)Nc1ccccc1-c1nn[nH]n1)[N@@H+]1CCC[C@@H](Nc2ccccc2)C1 ZINC000819875667 607177336 /nfs/dbraw/zinc/17/73/36/607177336.db2.gz BFQHDLGJIAUNQD-NVXWUHKLSA-N 1 0 391.479 2.770 20 0 GFADRO C[NH+](C)Cc1cccc(CNC(=O)Nc2ccc(-c3nn[nH]n3)cc2Cl)c1 ZINC000821588353 607199976 /nfs/dbraw/zinc/19/99/76/607199976.db2.gz OBBZMHPISBUUCZ-UHFFFAOYSA-N 1 0 385.859 2.903 20 0 GFADRO C[N@H+](CCNC(=O)Nc1ccc(-c2nn[nH]n2)cc1Cl)Cc1ccccc1 ZINC000821602544 607201968 /nfs/dbraw/zinc/20/19/68/607201968.db2.gz HULYZDVKWHDLSK-UHFFFAOYSA-N 1 0 385.859 2.774 20 0 GFADRO Cc1ccccc1NC(=O)N(CC[NH+](C)C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000826307748 607780493 /nfs/dbraw/zinc/78/04/93/607780493.db2.gz VBLIZGQPEFFRDK-UHFFFAOYSA-N 1 0 379.468 2.771 20 0 GFADRO c1cn(C[NH+]2CCC(c3ccccn3)CC2)nc1-c1ccc(-c2nn[nH]n2)cc1 ZINC000826520657 607818426 /nfs/dbraw/zinc/81/84/26/607818426.db2.gz OZDYIWNFBCSOSF-UHFFFAOYSA-N 1 0 386.463 2.962 20 0 GFADRO CC[N@@H+]1CCN(c2c(-c3nn[nH]n3)cnc3c(F)ccc(Cl)c32)C[C@H]1C ZINC000825465804 607822117 /nfs/dbraw/zinc/82/21/17/607822117.db2.gz QVWHZCZKVMIYFI-SNVBAGLBSA-N 1 0 375.839 2.738 20 0 GFADRO CC(C)(C)[C@@H]1CCCC[C@@H]1[NH2+]CCS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000824079588 607829335 /nfs/dbraw/zinc/82/93/35/607829335.db2.gz PQFPOTWEPYGNFG-SJORKVTESA-N 1 0 391.541 2.835 20 0 GFADRO C[NH+]1CCC([C@H]2CCN(C(=O)Nc3ccc(-c4nn[nH]n4)c(Cl)c3)C2)CC1 ZINC000826021690 607916962 /nfs/dbraw/zinc/91/69/62/607916962.db2.gz DBWWBMCPLWSTLI-ZDUSSCGKSA-N 1 0 389.891 2.716 20 0 GFADRO O=C(c1ccc(Nc2cc[nH+]cc2)cc1)N1CCc2ccc(-c3nn[nH]n3)cc21 ZINC000826473292 607952775 /nfs/dbraw/zinc/95/27/75/607952775.db2.gz RTODXMCUDKXNKG-UHFFFAOYSA-N 1 0 383.415 2.630 20 0 GFADRO C[C@@H]([NH2+][C@H]1CCCN(Cc2ccccc2)C1=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000824547442 608015423 /nfs/dbraw/zinc/01/54/23/608015423.db2.gz OINRGKGUJCHZNN-BEFAXECRSA-N 1 0 376.464 2.709 20 0 GFADRO COc1ccc([C@@](C)(O)[C@@H]2CCC[N@@H+]2Cc2ccc(F)c(-c3nn[nH]n3)c2)cc1 ZINC000826187741 608064571 /nfs/dbraw/zinc/06/45/71/608064571.db2.gz DAULWRPESXREQB-PZJWPPBQSA-N 1 0 397.454 2.887 20 0 GFADRO Cc1cccc([C@H]2CC[N@@H+]([C@@H](C)C(=O)Nc3cccc(-c4nn[nH]n4)c3)C2)c1 ZINC000826297430 608127904 /nfs/dbraw/zinc/12/79/04/608127904.db2.gz HNMUQLYBRKKKEL-YJBOKZPZSA-N 1 0 376.464 2.992 20 0 GFADRO Cc1cc(C)cc([C@@H]2CC[N@H+](C[C@@H](O)COc3ccc(-c4nn[nH]n4)cc3)C2)c1 ZINC000826264447 608128480 /nfs/dbraw/zinc/12/84/80/608128480.db2.gz OSLQPCWVFNNUKD-UYAOXDASSA-N 1 0 393.491 2.713 20 0 GFADRO O=C(N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)c1ccc(-c2nn[nH]n2)cc1 ZINC000826429572 608134937 /nfs/dbraw/zinc/13/49/37/608134937.db2.gz HJNRPUVAUAOGIJ-SLFFLAALSA-N 1 0 388.475 2.507 20 0 GFADRO Fc1ccc(-c2noc(CCC[NH2+]Cc3cc(-c4nn[nH]n4)cs3)n2)cc1 ZINC000826373368 608134982 /nfs/dbraw/zinc/13/49/82/608134982.db2.gz JMORORNIYINEEM-UHFFFAOYSA-N 1 0 385.428 2.840 20 0 GFADRO C[C@H](C(=O)Nc1cccc(-c2nn[nH]n2)c1)[NH+]1CCC(Cc2cccnc2)CC1 ZINC000824047078 608208120 /nfs/dbraw/zinc/20/81/20/608208120.db2.gz WRJJDXNXJFGCEN-OAHLLOKOSA-N 1 0 391.479 2.543 20 0 GFADRO O=C([C@@H]1CC12CC[NH+](Cc1ccc(F)c(-c3nn[nH]n3)c1)CC2)N1CCCCC1 ZINC000826398013 608212419 /nfs/dbraw/zinc/21/24/19/608212419.db2.gz OQJVUBUIYFKKDR-KRWDZBQOSA-N 1 0 398.486 2.620 20 0 GFADRO CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+]CCOc1ccc(-c2nn[nH]n2)cc1 ZINC000825128472 608281200 /nfs/dbraw/zinc/28/12/00/608281200.db2.gz VCHSRAPYJNIHSL-QGZVFWFLSA-N 1 0 397.479 2.874 20 0 GFADRO COc1ccccc1NC(=O)C[C@@H](C)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC000826220165 608285727 /nfs/dbraw/zinc/28/57/27/608285727.db2.gz DTTQIGMPLIDFTO-GFCCVEGCSA-N 1 0 384.415 2.521 20 0 GFADRO C[C@@H](NC(=O)N1CCC(CCC[NH+](C)C)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824492494 608326803 /nfs/dbraw/zinc/32/68/03/608326803.db2.gz ZPQGBTZSVSUCJV-OAHLLOKOSA-N 1 0 385.516 2.691 20 0 GFADRO COc1ccc([C@](C)(O)[C@@H]2CCC[N@@H+]2Cc2cccc(-c3nn[nH]n3)c2F)cc1 ZINC000826188069 608418606 /nfs/dbraw/zinc/41/86/06/608418606.db2.gz MVFMDXGNNIFANN-RXVVDRJESA-N 1 0 397.454 2.887 20 0 GFADRO CC(C)Oc1ccc([C@H](C)[NH2+]C[C@@H](O)COc2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000824323912 608437925 /nfs/dbraw/zinc/43/79/25/608437925.db2.gz DAAYYSQGURCZHZ-MAUKXSAKSA-N 1 0 397.479 2.744 20 0 GFADRO C[C@H]([NH2+]CC(=O)Nc1ccc(-c2nn[nH]n2)cc1)c1cccc(OC(F)F)c1 ZINC000824564112 608443868 /nfs/dbraw/zinc/44/38/68/608443868.db2.gz RRXDBOQVSXYKOB-NSHDSACASA-N 1 0 388.378 2.757 20 0 GFADRO COc1cc(C)c([C@@H](C)[NH2+]CCOc2cccc(-c3nn[nH]n3)c2)cc1OC ZINC000826178401 608447600 /nfs/dbraw/zinc/44/76/00/608447600.db2.gz WPFHKOHWDXMYQA-CQSZACIVSA-N 1 0 383.452 2.922 20 0 GFADRO CC(C)Oc1cccc([C@H](C)[NH2+]C[C@@H](O)COc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000824333212 608454080 /nfs/dbraw/zinc/45/40/80/608454080.db2.gz GPFFTVDPUPYUAL-MAUKXSAKSA-N 1 0 397.479 2.744 20 0 GFADRO C[C@H]([NH2+]CCOc1cccc(-c2nn[nH]n2)c1)c1ccc(NC(=O)C2CC2)cc1 ZINC000824599069 608457868 /nfs/dbraw/zinc/45/78/68/608457868.db2.gz LQQVUVRUQHDYNY-AWEZNQCLSA-N 1 0 392.463 2.945 20 0 GFADRO COc1ccc(F)cc1[C@@H](C)[NH2+]CCC(=O)Nc1sccc1-c1nn[nH]n1 ZINC000826209137 608459715 /nfs/dbraw/zinc/45/97/15/608459715.db2.gz OIWJQQHXEWUTNF-SNVBAGLBSA-N 1 0 390.444 2.755 20 0 GFADRO C[C@@H]([NH2+]CC(=O)N(C)[C@H](C)c1ccc(F)cc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824554372 608460493 /nfs/dbraw/zinc/46/04/93/608460493.db2.gz OZPREOOKLRLFAJ-ZIAGYGMSSA-N 1 0 382.443 2.876 20 0 GFADRO CC(C)c1ccc(CCNC(=O)C[NH2+][C@H](C)c2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000824347814 608464567 /nfs/dbraw/zinc/46/45/67/608464567.db2.gz OQEWKOJTFOWASV-MRXNPFEDSA-N 1 0 392.507 3.000 20 0 GFADRO C[C@@H]([NH2+]CC(=O)N1c2ccccc2CC[C@@H]1C)c1ccc(-c2nn[nH]n2)cc1 ZINC000824555105 608466443 /nfs/dbraw/zinc/46/64/43/608466443.db2.gz USFKEFBSQWBJBA-LSDHHAIUSA-N 1 0 376.464 2.885 20 0 GFADRO COc1ccc(-c2nn[nH]n2)cc1C[NH2+][C@@H](C)c1cccc(N2CCOC2=O)c1 ZINC000826183929 608475608 /nfs/dbraw/zinc/47/56/08/608475608.db2.gz FQDJHTYPYULAPP-ZDUSSCGKSA-N 1 0 394.435 2.683 20 0 GFADRO C[C@H]([NH2+]CC(=O)N[C@@H](c1ccccc1)C1CC1)c1cccc(-c2nn[nH]n2)c1 ZINC000824554723 608484187 /nfs/dbraw/zinc/48/41/87/608484187.db2.gz RIACSQYXJTXXCT-XOBRGWDASA-N 1 0 376.464 2.785 20 0 GFADRO c1ccc(CN2CCC([NH2+][C@H]3CCCc4cc(-c5nn[nH]n5)ccc43)CC2)nc1 ZINC000826521351 608502687 /nfs/dbraw/zinc/50/26/87/608502687.db2.gz JIMZSABIGUCOSZ-NRFANRHFSA-N 1 0 389.507 2.893 20 0 GFADRO c1cc(CN2CCC([NH2+][C@H]3CCCc4cc(-c5nn[nH]n5)ccc43)CC2)ccn1 ZINC000826515966 608503063 /nfs/dbraw/zinc/50/30/63/608503063.db2.gz RLKJMJIEIMVWRV-NRFANRHFSA-N 1 0 389.507 2.893 20 0 GFADRO C[C@@H]([NH2+]CCOc1ccccc1-c1nn[nH]n1)c1cccc(-n2cccn2)c1 ZINC000824599304 608527581 /nfs/dbraw/zinc/52/75/81/608527581.db2.gz ODMXUTBDPXCKNJ-OAHLLOKOSA-N 1 0 375.436 2.782 20 0 GFADRO C[C@H](c1ccccc1)N(C)C(=O)C[NH2+]C1(c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000824770526 608532065 /nfs/dbraw/zinc/53/20/65/608532065.db2.gz LJCLVKWBZQQARU-OAHLLOKOSA-N 1 0 376.464 2.665 20 0 GFADRO CC(C)[C@@H](NC(=O)C[NH2+]C1(c2cccc(-c3nn[nH]n3)c2)CC1)c1ccccc1 ZINC000824193482 608532234 /nfs/dbraw/zinc/53/22/34/608532234.db2.gz YUBCSJYCPAWFHS-HXUWFJFHSA-N 1 0 390.491 2.959 20 0 GFADRO O=C(C[NH2+]C1(c2cccc(-c3nn[nH]n3)c2)CC1)N[C@H]1CCCc2ccccc21 ZINC000826412470 608534138 /nfs/dbraw/zinc/53/41/38/608534138.db2.gz PCDVALNMNOGUAY-IBGZPJMESA-N 1 0 388.475 2.639 20 0 GFADRO CC(C)([NH2+]CC(=O)NCc1ccc(-c2nn[nH]n2)cc1)c1cccc(Cl)c1 ZINC000824165964 608534590 /nfs/dbraw/zinc/53/45/90/608534590.db2.gz DEUSJNNJGOGBPF-UHFFFAOYSA-N 1 0 384.871 2.661 20 0 GFADRO CC[C@H]([NH2+]C[C@H](O)COc1ccc(-c2nn[nH]n2)cc1)c1ccc(F)cc1F ZINC000825141825 608535533 /nfs/dbraw/zinc/53/55/33/608535533.db2.gz QDLDZYXOLFVZDZ-KSSFIOAISA-N 1 0 389.406 2.626 20 0 GFADRO CC[C@@H]([NH2+]C[C@H](O)COc1ccc(-c2nn[nH]n2)cc1)c1cc(F)ccc1F ZINC000825139033 608536402 /nfs/dbraw/zinc/53/64/02/608536402.db2.gz AGYGQOLMVNUXKP-KBXCAEBGSA-N 1 0 389.406 2.626 20 0 GFADRO C[NH+](C)C1CCN(Cc2cccc(OCc3cccc(-c4nn[nH]n4)c3)c2)CC1 ZINC000825856383 608559586 /nfs/dbraw/zinc/55/95/86/608559586.db2.gz UMRDEZLWXAEBBX-UHFFFAOYSA-N 1 0 392.507 2.972 20 0 GFADRO COc1ccc(C[N@@H+]2CCCN(c3ccccc3-c3nn[nH]n3)CC2)cc1OC ZINC000826194325 608584814 /nfs/dbraw/zinc/58/48/14/608584814.db2.gz JBRNRZYWVGIQRG-UHFFFAOYSA-N 1 0 394.479 2.596 20 0 GFADRO C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)c1cccc(Oc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000824974709 608597441 /nfs/dbraw/zinc/59/74/41/608597441.db2.gz DHLOLGFIBNFXPM-HUUCEWRRSA-N 1 0 392.463 2.824 20 0 GFADRO O=C(Nc1ccccc1)NC1CC[NH+](Cc2ccc(-c3nn[nH]n3)s2)CC1 ZINC000826457402 608631452 /nfs/dbraw/zinc/63/14/52/608631452.db2.gz ZUHPNYQBJNXZMJ-UHFFFAOYSA-N 1 0 383.481 2.714 20 0 GFADRO CN(Cc1cccc(-c2nn[nH]n2)c1F)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000825976244 608651388 /nfs/dbraw/zinc/65/13/88/608651388.db2.gz HXCGWZCYAXRPFM-QGZVFWFLSA-N 1 0 380.471 2.960 20 0 GFADRO COc1ccccc1C[C@@H](C)[N@H+](C)Cc1cnc2ccc(-c3nn[nH]n3)cn12 ZINC000826220030 608680625 /nfs/dbraw/zinc/68/06/25/608680625.db2.gz ZRQZHOMXAJAHCX-CQSZACIVSA-N 1 0 377.452 2.586 20 0 GFADRO CCC[N@H+](Cc1cnc2ccc(-c3nn[nH]n3)cn12)[C@@H]1C[C@H](OCC)C1(C)C ZINC000825322615 608718148 /nfs/dbraw/zinc/71/81/48/608718148.db2.gz FVWOJTYWJRHLBJ-SJORKVTESA-N 1 0 383.500 2.930 20 0 GFADRO CC1(C)CC[C@@H](C[NH2+][C@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)c2ccccc21 ZINC000824795931 608750166 /nfs/dbraw/zinc/75/01/66/608750166.db2.gz JGCDYHVCQJIRJR-LPHOPBHVSA-N 1 0 390.491 2.838 20 0 GFADRO C[C@@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)NC(=O)OC(C)(C)C ZINC000824393304 608755869 /nfs/dbraw/zinc/75/58/69/608755869.db2.gz RPUGFXMXAILBJS-RYUDHWBXSA-N 1 0 378.452 2.787 20 0 GFADRO FC(F)(F)c1ccc(C[N@@H+]2CC[C@@H](Nc3cnccc3-c3nn[nH]n3)C2)cc1 ZINC000826368579 608784385 /nfs/dbraw/zinc/78/43/85/608784385.db2.gz VGWGKKPBAHQLSP-CQSZACIVSA-N 1 0 389.385 2.967 20 0 GFADRO C[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)C[N@@H+]1Cc1cc(-c2nn[nH]n2)cs1 ZINC000824883872 608845215 /nfs/dbraw/zinc/84/52/15/608845215.db2.gz JQVCQSITAWJVFY-VXGBXAGGSA-N 1 0 378.502 2.663 20 0 GFADRO O[C@]1(Cc2cccc(Cl)c2)CC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC000826505688 608859680 /nfs/dbraw/zinc/85/96/80/608859680.db2.gz CHRVBZVYLHTLPE-KRWDZBQOSA-N 1 0 375.885 2.761 20 0 GFADRO C[C@@H]([NH2+][C@@H](CNC(=O)OC(C)(C)C)C1CC1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824530221 609145440 /nfs/dbraw/zinc/14/54/40/609145440.db2.gz KCKSQWOWOHGRMY-BZNIZROVSA-N 1 0 390.463 2.960 20 0 GFADRO C[C@H](C(=O)Nc1cccc(-c2nn[nH]n2)c1)[N@@H+]1CC[C@H](COc2ccccc2)C1 ZINC000824047092 609147392 /nfs/dbraw/zinc/14/73/92/609147392.db2.gz XEEPPTOHKFECDO-CVEARBPZSA-N 1 0 392.463 2.595 20 0 GFADRO COc1cc(NCC[NH2+][C@H](C)c2ccc(-c3nn[nH]n3)c(F)c2)cc(OC)c1 ZINC000826180343 609153593 /nfs/dbraw/zinc/15/35/93/609153593.db2.gz CUXVDKIDVUVBFO-GFCCVEGCSA-N 1 0 386.431 2.786 20 0 GFADRO C[C@H]([NH2+][C@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O)c1ccnc(Cl)c1 ZINC000824546064 609168806 /nfs/dbraw/zinc/16/88/06/609168806.db2.gz GQJOMWHXAXXMEL-LRDDRELGSA-N 1 0 397.870 2.761 20 0 GFADRO O=C1[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CCN1c1ccc(F)c(Cl)c1 ZINC000826476318 609188905 /nfs/dbraw/zinc/18/89/05/609188905.db2.gz FJADTQIFKHDUSN-CYBMUJFWSA-N 1 0 392.847 2.616 20 0 GFADRO C[C@H](NC(=O)CCc1ccc(-c2nn[nH]n2)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000824477640 609285331 /nfs/dbraw/zinc/28/53/31/609285331.db2.gz BHCJMUSZWFDKHJ-MAUKXSAKSA-N 1 0 382.512 2.569 20 0 GFADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2ccc(Cl)c(-c3nn[nH]n3)c2)C1 ZINC000824877602 609287850 /nfs/dbraw/zinc/28/78/50/609287850.db2.gz ZDSQLIXYDHHXRF-BETUJISGSA-N 1 0 376.892 2.618 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)c1ccc(Cl)c(-c2nn[nH]n2)c1)c1ccc(F)cc1 ZINC000825848863 609290346 /nfs/dbraw/zinc/29/03/46/609290346.db2.gz GSSYNTGYBFRBNU-MRXNPFEDSA-N 1 0 388.834 2.692 20 0 GFADRO CCc1nnc(N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c(-c2nn[nH]n2)c1CC ZINC000825768074 609314720 /nfs/dbraw/zinc/31/47/20/609314720.db2.gz ZCIQYQKUPVMZHY-KGLIPLIRSA-N 1 0 384.532 2.846 20 0 GFADRO COc1cccc([C@H](C[NH2+][C@@H](C)c2ccc(-c3nn[nH]n3)cc2F)N(C)C)c1 ZINC000826214683 609322533 /nfs/dbraw/zinc/32/25/33/609322533.db2.gz TWDVEHJPGKSWIF-DJJJIMSYSA-N 1 0 384.459 2.968 20 0 GFADRO C[C@@H]([NH2+]Cc1ccccc1CN1CCOCC1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824627089 609323466 /nfs/dbraw/zinc/32/34/66/609323466.db2.gz UECXHBBJBBBSEC-OAHLLOKOSA-N 1 0 396.470 2.689 20 0 GFADRO C[C@@H]([NH2+]CCCN(C)C(=O)OC(C)(C)C)c1ccc(-c2nn[nH]n2)cc1F ZINC000824585272 609333610 /nfs/dbraw/zinc/33/36/10/609333610.db2.gz PAZCITUKPBAFBS-GFCCVEGCSA-N 1 0 378.452 2.913 20 0 GFADRO C[C@@H]([NH2+][C@@H](CO)Cc1c[nH]c2ccccc12)c1ccc(-c2nn[nH]n2)cc1F ZINC000824529064 609335305 /nfs/dbraw/zinc/33/53/05/609335305.db2.gz DHHHZDOPGZCLRV-IUODEOHRSA-N 1 0 380.427 2.741 20 0 GFADRO Cc1cccc(OCC[NH2+]Cc2cn(C)nc2-c2ccc(-c3nn[nH]n3)cc2)c1 ZINC000826299954 609335596 /nfs/dbraw/zinc/33/55/96/609335596.db2.gz BZYLLHJERKPWJK-UHFFFAOYSA-N 1 0 389.463 2.744 20 0 GFADRO CCOCCC[N@@H+]1CC[C@H](N[C@H](C)c2ccc(-c3nn[nH]n3)cc2F)[C@@H](C)C1 ZINC000825594266 609336451 /nfs/dbraw/zinc/33/64/51/609336451.db2.gz JFOPYYLWNIQMMP-KHYOSLBOSA-N 1 0 390.507 2.793 20 0 GFADRO CC(C)[C@@H]1OCCC[C@@H]1C[NH2+]Cc1cn(C)nc1-c1ccc(-c2nn[nH]n2)cc1 ZINC000824229503 609340442 /nfs/dbraw/zinc/34/04/42/609340442.db2.gz RNUJLGYRVQBCQL-XLIONFOSSA-N 1 0 395.511 2.808 20 0 GFADRO COc1cccc([C@@H]2[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)CCN2C2CC2)c1 ZINC000826215455 609346508 /nfs/dbraw/zinc/34/65/08/609346508.db2.gz PHJJBIYCLRUCEB-NHCUHLMSSA-N 1 0 390.491 2.943 20 0 GFADRO C[C@@H](NC(=O)Nc1ccc(F)cc1-c1nn[nH]n1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000824506487 609352784 /nfs/dbraw/zinc/35/27/84/609352784.db2.gz OZTYSUDVKVTXMD-CHWSQXEVSA-N 1 0 387.463 2.780 20 0 GFADRO Brc1cc(-c2nn[nH]n2)ccc1CN1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000823821217 609358561 /nfs/dbraw/zinc/35/85/61/609358561.db2.gz PKIFNQUJFLCJDS-OAHLLOKOSA-N 1 0 391.317 2.689 20 0 GFADRO OCC[N@H+](Cc1ccc(-c2nn[nH]n2)cc1Br)C1CCCCC1 ZINC000826509719 609367945 /nfs/dbraw/zinc/36/79/45/609367945.db2.gz GWEQEDWIBRVNGW-UHFFFAOYSA-N 1 0 380.290 2.756 20 0 GFADRO C[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1Br)C[C@@H]1CCCC[C@@H]1O ZINC000825961553 609377223 /nfs/dbraw/zinc/37/72/23/609377223.db2.gz IAMTTWMNHXIKSJ-ZFWWWQNUSA-N 1 0 380.290 2.612 20 0 GFADRO O=C(NC1CC[NH+](CC2CCCC2)CC1)c1ccc(Cl)c(-c2nn[nH]n2)c1 ZINC000826430456 609395564 /nfs/dbraw/zinc/39/55/64/609395564.db2.gz CKNFTIDZPKHZHU-UHFFFAOYSA-N 1 0 388.903 2.905 20 0 GFADRO Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CCCN(c3ccc(-c4nn[nH]n4)cc3)C1=O)CC2 ZINC000826294425 609414741 /nfs/dbraw/zinc/41/47/41/609414741.db2.gz QXWRIFWGMWAGKS-UXHICEINSA-N 1 0 388.475 2.948 20 0 GFADRO OC[C@H]([NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)c1ccc(C(F)(F)F)cc1 ZINC000826508270 609429818 /nfs/dbraw/zinc/42/98/18/609429818.db2.gz KOYMEZBTSIAIJE-HNNXBMFYSA-N 1 0 381.333 2.848 20 0 GFADRO CC(C)[C@H]1C[C@H](C[NH2+]C2CCN(c3ccc(-c4nn[nH]n4)cc3)CC2)CCO1 ZINC000824215318 609440995 /nfs/dbraw/zinc/44/09/95/609440995.db2.gz KYCGBXWOFFNUAY-OXQOHEQNSA-N 1 0 384.528 2.876 20 0 GFADRO c1ccn2c(c1)nc(N1CCC(C[NH+]3CCCCCC3)CC1)c2-c1nn[nH]n1 ZINC000826523864 609462913 /nfs/dbraw/zinc/46/29/13/609462913.db2.gz AJRAYOQYBQBWLF-UHFFFAOYSA-N 1 0 380.500 2.607 20 0 GFADRO c1ccc(C[N@H+]2CCC[C@H](CNc3nc4ccccn4c3-c3nn[nH]n3)C2)cc1 ZINC000826521813 609467387 /nfs/dbraw/zinc/46/73/87/609467387.db2.gz ZILAITOYABDWOB-QGZVFWFLSA-N 1 0 388.479 2.839 20 0 GFADRO C[C@@H]1CC(C(=O)N(CC[NH+](C)C)Cc2cccc(-c3nn[nH]n3)c2)C[C@@H](C)C1 ZINC000824875239 609576329 /nfs/dbraw/zinc/57/63/29/609576329.db2.gz JVZYBRCNWRIDOB-HOTGVXAUSA-N 1 0 384.528 2.829 20 0 GFADRO CCSc1nnc(NC(=O)NCc2ccccc2OCC[NH+](C)C)s1 ZINC000476465407 650550682 /nfs/dbraw/zinc/55/06/82/650550682.db2.gz WFEDVJKXFKBBHA-UHFFFAOYSA-N 1 0 381.527 2.912 20 0 GFADRO C[C@H](C[N@@H+]1C[C@H](CNC(=O)OC(C)(C)C)[C@@H](C)C[C@@H]1C)CS(C)(=O)=O ZINC000817294123 660189310 /nfs/dbraw/zinc/18/93/10/660189310.db2.gz TVHABGKUGMOZPW-UGUYLWEFSA-N 1 0 376.563 2.538 20 0 GFADRO CN1CC[NH+](CCCNc2ncnc3cc(F)c(Br)cc32)CC1 ZINC000545157444 650963499 /nfs/dbraw/zinc/96/34/99/650963499.db2.gz JDLIYVXDBIGLCP-UHFFFAOYSA-N 1 0 382.281 2.581 20 0 GFADRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)Nc1ccccc1SC(F)(F)F ZINC000817402104 660194236 /nfs/dbraw/zinc/19/42/36/660194236.db2.gz QFERJTWQYMKXAG-NSHDSACASA-N 1 0 375.416 2.790 20 0 GFADRO CCS(=O)(=O)N(C)CCC[NH2+][C@H](c1nc(Br)cs1)C1CC1 ZINC000817574974 660201239 /nfs/dbraw/zinc/20/12/39/660201239.db2.gz FHPGPHVQZCOCFD-LBPRGKRZSA-N 1 0 396.376 2.618 20 0 GFADRO CC[NH+]1CCC(N2CCCN(C(=O)c3cc(Cl)c(Cl)n3C)CC2)CC1 ZINC000817659174 660204899 /nfs/dbraw/zinc/20/48/99/660204899.db2.gz QSIIWHQKYHQSJQ-UHFFFAOYSA-N 1 0 387.355 2.964 20 0 GFADRO Cn1c(C(=O)N2CCCO[C@@H](C[NH3+])C2)ccc1-c1ccc(Br)cc1 ZINC000818011998 660213683 /nfs/dbraw/zinc/21/36/83/660213683.db2.gz HAAZRZSHNRKIDN-HNNXBMFYSA-N 1 0 392.297 2.644 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)COc2ccc(C3SCCCS3)cc2)CCCO1 ZINC000818012204 660213707 /nfs/dbraw/zinc/21/37/07/660213707.db2.gz KHQKBJKQILIVHY-MRXNPFEDSA-N 1 0 382.551 2.510 20 0 GFADRO CCOc1c(Br)cc(C(=O)N2CC[C@@]3(CCC[NH2+]3)C2)cc1OC ZINC000818017374 660213938 /nfs/dbraw/zinc/21/39/38/660213938.db2.gz DNWFXSUGZDXFFC-KRWDZBQOSA-N 1 0 383.286 2.825 20 0 GFADRO CC(C)(C)OC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(S(C)(=O)=O)s2)C1(C)C ZINC000818216811 660219790 /nfs/dbraw/zinc/21/97/90/660219790.db2.gz ODJIUWWFNLPQQZ-OLZOCXBDSA-N 1 0 388.555 2.933 20 0 GFADRO C/C(=C/C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccccc1Cl ZINC000818594559 660229447 /nfs/dbraw/zinc/22/94/47/660229447.db2.gz QTKGLJGQHMVSLV-KUGGDMIFSA-N 1 0 375.822 2.696 20 0 GFADRO O[C@@H](C[NH2+]Cc1ccnc(N2CCOCC2)c1)c1ccccc1Br ZINC000818951722 660236979 /nfs/dbraw/zinc/23/69/79/660236979.db2.gz ODFCDXYUICMCEQ-KRWDZBQOSA-N 1 0 392.297 2.504 20 0 GFADRO COCC(=O)Nc1cccc(C[NH2+]C[C@@H](O)c2ccccc2Br)c1 ZINC000818951900 660237581 /nfs/dbraw/zinc/23/75/81/660237581.db2.gz AQEYOLLKLXXZKL-QGZVFWFLSA-N 1 0 393.281 2.857 20 0 GFADRO COCCOc1ncccc1C[NH2+]C[C@H](O)c1ccc(Br)cc1 ZINC000818975366 660240252 /nfs/dbraw/zinc/24/02/52/660240252.db2.gz LVPILKANNZBEFO-INIZCTEOSA-N 1 0 381.270 2.693 20 0 GFADRO C[C@@](O)(C[NH2+]CCOC[C@H]1CCCO1)c1ccc(Br)cc1F ZINC000819073514 660245449 /nfs/dbraw/zinc/24/54/49/660245449.db2.gz NGQZSBJBCLNHRS-CZUORRHYSA-N 1 0 376.266 2.581 20 0 GFADRO C[C@](O)(C[NH2+]C1CCC(C(N)=O)CC1)c1ccc(Br)cc1Cl ZINC000819015834 660243518 /nfs/dbraw/zinc/24/35/18/660243518.db2.gz BEMSAYINLPRPSS-MLHMAEKDSA-N 1 0 389.721 2.944 20 0 GFADRO O[C@@H](C[NH2+]CC1(N2CCCC2)CCOCC1)c1ccccc1Br ZINC000819021348 660243754 /nfs/dbraw/zinc/24/37/54/660243754.db2.gz QLWVCEWJYLUPHF-KRWDZBQOSA-N 1 0 383.330 2.717 20 0 GFADRO C[C@@](O)(C[NH2+]CCOC[C@@H]1CCOC1)c1ccc(Br)cc1Cl ZINC000819046250 660244331 /nfs/dbraw/zinc/24/43/31/660244331.db2.gz ONVXKOYEEOTZCT-MLGOLLRUSA-N 1 0 392.721 2.953 20 0 GFADRO CN(c1ccc(C[NH2+]C[C@H](O)c2ccc(F)cc2Cl)cc1)S(C)(=O)=O ZINC000819052422 660244523 /nfs/dbraw/zinc/24/45/23/660244523.db2.gz GJGQBQIKJBIMCC-KRWDZBQOSA-N 1 0 386.876 2.698 20 0 GFADRO C[C@@H]1C[C@@H]([NH2+]C[C@H](O)c2ccc(Cl)cc2Cl)C(=O)N1c1cnn(C)c1 ZINC000819123544 660247260 /nfs/dbraw/zinc/24/72/60/660247260.db2.gz XLNPLZGQKPFXPH-GTTSAUCSSA-N 1 0 383.279 2.544 20 0 GFADRO CC(C)(C)OC(=O)N1CCC[C@@](O)(C[NH2+]C[C@@H]2CSCCS2)CC1 ZINC000819142589 660247834 /nfs/dbraw/zinc/24/78/34/660247834.db2.gz SBNGPHFHKGRDEQ-PBHICJAKSA-N 1 0 376.588 2.577 20 0 GFADRO O[C@H](C[NH2+][C@@H]1CCOC2(CCOCC2)C1)c1ccc(F)c(Br)c1 ZINC000819177823 660249091 /nfs/dbraw/zinc/24/90/91/660249091.db2.gz WOLHJLROADHDSF-CZUORRHYSA-N 1 0 388.277 2.939 20 0 GFADRO CO[C@@]1(C[NH2+]C[C@](C)(O)c2ccc(Br)cc2Cl)CCOC1 ZINC000819235129 660251171 /nfs/dbraw/zinc/25/11/71/660251171.db2.gz MSDQZDLDIMGUDV-LSDHHAIUSA-N 1 0 378.694 2.705 20 0 GFADRO O=S1(=O)CCCN1c1ccc(C[NH2+]C[C@H](O)c2ccccc2Cl)cc1 ZINC000819233515 660251241 /nfs/dbraw/zinc/25/12/41/660251241.db2.gz BGHGULCGHYACGM-SFHVURJKSA-N 1 0 380.897 2.703 20 0 GFADRO C[C@@](O)(C[NH2+]CCC1(O)CCOCC1)c1ccc(Br)cc1Cl ZINC000819303765 660254174 /nfs/dbraw/zinc/25/41/74/660254174.db2.gz LXETWJXHPLQXDU-OAHLLOKOSA-N 1 0 392.721 2.831 20 0 GFADRO COC(=O)N1CCC(C[NH2+]CCC(=O)Nc2ccc(Br)cc2)CC1 ZINC000819307808 660254548 /nfs/dbraw/zinc/25/45/48/660254548.db2.gz IIAKKYQNVTVUQD-UHFFFAOYSA-N 1 0 398.301 2.846 20 0 GFADRO O=c1ccc(Br)cn1CC[NH2+]C[C@H](O)c1ccc(F)cc1Cl ZINC000819339003 660255729 /nfs/dbraw/zinc/25/57/29/660255729.db2.gz JELLKEUIHAVVMP-AWEZNQCLSA-N 1 0 389.652 2.727 20 0 GFADRO C[N@@H+]1C[C@@H]2CCCN(C(=O)c3cc(=O)c4cc(Br)ccc4o3)[C@@H]2C1 ZINC000819720590 660267764 /nfs/dbraw/zinc/26/77/64/660267764.db2.gz PUXDLUZACLTTIU-SMDDNHRTSA-N 1 0 391.265 2.722 20 0 GFADRO COCC(C)(C)[NH+]1CCN(C(=O)Cc2sc(SC(F)F)nc2C)CC1 ZINC000819635882 660265814 /nfs/dbraw/zinc/26/58/14/660265814.db2.gz KROHODHVVGQEGW-UHFFFAOYSA-N 1 0 393.525 2.878 20 0 GFADRO C[N@@H+]1C[C@@H]2CCCN(S(=O)(=O)/C=C\c3cccc(Br)c3)[C@@H]2C1 ZINC000819913282 660274679 /nfs/dbraw/zinc/27/46/79/660274679.db2.gz DSNQZZQBRGHQBI-CMWWXKBXSA-N 1 0 385.327 2.776 20 0 GFADRO Nc1cc(C(=O)NC2CCC([NH+]3CCCCC3)CC2)cc(Br)n1 ZINC000820674111 660302391 /nfs/dbraw/zinc/30/23/91/660302391.db2.gz PYHUPRPGPBXILA-UHFFFAOYSA-N 1 0 381.318 2.953 20 0 GFADRO C[C@H]1C[NH+](CCCCNC(=O)c2csc(Br)n2)C[C@H](C)O1 ZINC000820674408 660302501 /nfs/dbraw/zinc/30/25/01/660302501.db2.gz VQWAPFNYFDMVNC-QWRGUYRKSA-N 1 0 376.320 2.525 20 0 GFADRO Cc1cc(C(=O)N2CC(C[NH+](C)C)C2)nn1-c1ccccc1Br ZINC000821010238 660313142 /nfs/dbraw/zinc/31/31/42/660313142.db2.gz RTBJGAQAMIVOHK-UHFFFAOYSA-N 1 0 377.286 2.577 20 0 GFADRO C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1cc(Br)c3nccnc3c1)C2 ZINC000821025542 660313548 /nfs/dbraw/zinc/31/35/48/660313548.db2.gz GREFDJVTNVCSNF-SFHVURJKSA-N 1 0 389.297 2.950 20 0 GFADRO Cn1cc([C@@H]([NH2+]C[C@H](O)c2cccc(Br)c2)C2(CO)CCC2)cn1 ZINC000821288268 660320045 /nfs/dbraw/zinc/32/00/45/660320045.db2.gz PLOKCOCVWYIWBZ-DLBZAZTESA-N 1 0 394.313 2.710 20 0 GFADRO COc1cccc([C@@H](CNC(=O)Nc2cc(Br)nn2C)[NH+](C)C)c1 ZINC000821466200 660326836 /nfs/dbraw/zinc/32/68/36/660326836.db2.gz HRISBGPQQAFZQZ-CYBMUJFWSA-N 1 0 396.289 2.616 20 0 GFADRO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)c1csc(Br)n1 ZINC000821550058 660329025 /nfs/dbraw/zinc/32/90/25/660329025.db2.gz JHAQSQOQDPNDIX-UHFFFAOYSA-N 1 0 381.299 2.947 20 0 GFADRO C[C@]1(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)CC1(Br)Br ZINC000822155444 660341138 /nfs/dbraw/zinc/34/11/38/660341138.db2.gz JLOGCLHOCFADPQ-HOSYDEDBSA-N 1 0 380.124 2.626 20 0 GFADRO C[N@H+](CCCCNC(=O)C[C@@H]1C(=O)Nc2c1cccc2Br)C1CC1 ZINC000822272393 660342371 /nfs/dbraw/zinc/34/23/71/660342371.db2.gz OVTZCGLLWCWYRQ-AWEZNQCLSA-N 1 0 394.313 2.866 20 0 GFADRO Cc1ccc(NC(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)c(Br)n1 ZINC000822030962 660339081 /nfs/dbraw/zinc/33/90/81/660339081.db2.gz XLSDRHQCSGRFJX-ZDUSSCGKSA-N 1 0 383.290 2.527 20 0 GFADRO C[C@H]1CCC[N@H+](CCNC(=O)[C@@]2(C)CC2(Br)Br)C1 ZINC000822103230 660340398 /nfs/dbraw/zinc/34/03/98/660340398.db2.gz RVPKWUXXWYGXKL-CMPLNLGQSA-N 1 0 382.140 2.731 20 0 GFADRO C[NH+]1CCN(c2ccc(Br)cc2NC(=O)/C=C\[C@@H]2CCOC2)CC1 ZINC000822809034 660355018 /nfs/dbraw/zinc/35/50/18/660355018.db2.gz NDBUNPYZXMGKPJ-FWWGQDLDSA-N 1 0 394.313 2.732 20 0 GFADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1cc(Cl)c(F)cc1Br ZINC000822878485 660356496 /nfs/dbraw/zinc/35/64/96/660356496.db2.gz ILKFQCHAOCWQGW-NXEZZACHSA-N 1 0 391.668 2.835 20 0 GFADRO COC(=O)c1cc(Br)cc(NC(=O)COC2CC[NH+](C)CC2)c1C ZINC000822915740 660357896 /nfs/dbraw/zinc/35/78/96/660357896.db2.gz JOISEMZKQZIWCH-UHFFFAOYSA-N 1 0 399.285 2.593 20 0 GFADRO C[C@H]1[NH2+]CC[C@@H]1c1nc(Cc2cc(Br)c3c(c2)OCCO3)no1 ZINC000822947316 660358740 /nfs/dbraw/zinc/35/87/40/660358740.db2.gz QSKRAPNIWQZJOO-KOLCDFICSA-N 1 0 380.242 2.660 20 0 GFADRO Brc1ccc2cc(OCc3nc(N4CC[NH2+]CC4)no3)ccc2c1 ZINC000823320548 660368292 /nfs/dbraw/zinc/36/82/92/660368292.db2.gz DYMDCPWQTQGHDD-UHFFFAOYSA-N 1 0 389.253 2.974 20 0 GFADRO C[C@H]([C@H](C)S(C)(=O)=O)[N@H+](C)C[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000823453618 660372521 /nfs/dbraw/zinc/37/25/21/660372521.db2.gz USVMAJJKRVIAEW-FZKCQIBNSA-N 1 0 376.563 2.775 20 0 GFADRO CCCN(C(=O)c1cc2cc(Br)cnc2n1C)[C@H]1CC[N@H+](C)C1 ZINC000823500097 660373976 /nfs/dbraw/zinc/37/39/76/660373976.db2.gz UQRHGTNVKLFLPW-AWEZNQCLSA-N 1 0 379.302 2.892 20 0 GFADRO COCC[N@@H+]1CCCN(C(=O)Cc2sc(SCC(C)C)nc2C)CC1 ZINC000823687839 660378228 /nfs/dbraw/zinc/37/82/28/660378228.db2.gz VKSVHBQAQQDOBE-UHFFFAOYSA-N 1 0 385.599 2.923 20 0 GFADRO COC(=O)c1nn(-c2ccc(Cl)c(Cl)c2)cc1CN[C@@H]1CC[N@H+](C)C1 ZINC000823811860 660380451 /nfs/dbraw/zinc/38/04/51/660380451.db2.gz BTKNTDSDWWOZSY-GFCCVEGCSA-N 1 0 383.279 2.759 20 0 GFADRO Cc1c(F)c(Br)ccc1NC(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000824555109 660396629 /nfs/dbraw/zinc/39/66/29/660396629.db2.gz BSFWUMVHUQNFSW-NEPJUHHUSA-N 1 0 386.265 2.881 20 0 GFADRO CC[N@@H+]1CCC[C@H](CNC(=O)[C@@]2(C)CC2(Br)Br)C1 ZINC000824638796 660398537 /nfs/dbraw/zinc/39/85/37/660398537.db2.gz CBEXQGSYXVVOJU-ZYHUDNBSSA-N 1 0 382.140 2.731 20 0 GFADRO C[N@H+](Cc1ccc2nc(NC(=O)NCCC[S@@](C)=O)sc2c1)C1CC1 ZINC000824741228 660400600 /nfs/dbraw/zinc/40/06/00/660400600.db2.gz PVPQLIAGJGXCHW-RUZDIDTESA-N 1 0 380.539 2.781 20 0 GFADRO CC(C)[N@H+](C)Cc1cc(O[C@H]2CCN(C(=O)C3(Br)CC3)C2)ccn1 ZINC000824796659 660402104 /nfs/dbraw/zinc/40/21/04/660402104.db2.gz DDZCWZPUOLMOSE-INIZCTEOSA-N 1 0 396.329 2.829 20 0 GFADRO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]C[C@H]1CCCC1(F)F ZINC000824799129 660402310 /nfs/dbraw/zinc/40/23/10/660402310.db2.gz KXBSSYHCVVYBKR-NEPJUHHUSA-N 1 0 381.876 2.730 20 0 GFADRO CCN(C(=O)c1cc(Br)c2nccnc2c1)[C@@H]1CC[N@H+](CC)C1 ZINC000825018367 660407600 /nfs/dbraw/zinc/40/76/00/660407600.db2.gz MLUQJFRPCBOHQE-CYBMUJFWSA-N 1 0 377.286 2.949 20 0 GFADRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)c1cc(Br)n(C)n1 ZINC000825183105 660413860 /nfs/dbraw/zinc/41/38/60/660413860.db2.gz INKWBIKMSGOUDT-UHFFFAOYSA-N 1 0 379.302 2.953 20 0 GFADRO Cn1c(Cl)cnc1CNc1cc(N2CCOCC2)c(Br)c[nH+]1 ZINC000825312808 660420114 /nfs/dbraw/zinc/42/01/14/660420114.db2.gz YCFLRDYKXJOXCE-UHFFFAOYSA-N 1 0 386.681 2.680 20 0 GFADRO COC(=O)[C@H]1CN(c2nccc3ccc(Br)cc32)CC[N@H+](C)C1 ZINC000826130964 660450501 /nfs/dbraw/zinc/45/05/01/660450501.db2.gz LJLPBRUEXXTZQP-CYBMUJFWSA-N 1 0 378.270 2.538 20 0 GFADRO CC[C@H](Cc1ccc(Br)cc1)NC(=O)COC1CC[NH+](C)CC1 ZINC000826138840 660450761 /nfs/dbraw/zinc/45/07/61/660450761.db2.gz IFLZSYUYHLDDKQ-MRXNPFEDSA-N 1 0 383.330 2.997 20 0 GFADRO C[C@@]1(C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)CC1(Br)Br ZINC000826809980 660465403 /nfs/dbraw/zinc/46/54/03/660465403.db2.gz NSZQVPNQEFFJHL-YPMHNXCESA-N 1 0 394.151 2.969 20 0 GFADRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)c2c(Br)nc3n2CCC3)C1 ZINC000827142705 660480768 /nfs/dbraw/zinc/48/07/68/660480768.db2.gz PFBLFKCWYRPUQR-CYBMUJFWSA-N 1 0 383.334 2.690 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(C(=O)C[C@H]3Sc4ccc(Cl)cc4NC3=O)CC[C@H]21 ZINC000827356224 660491026 /nfs/dbraw/zinc/49/10/26/660491026.db2.gz MPDUUWHTSORRAT-DJSGYFEHSA-N 1 0 379.913 2.696 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3c(F)cccc3I)CC[C@@H]21 ZINC000827300768 660488204 /nfs/dbraw/zinc/48/82/04/660488204.db2.gz NPKNTWKLOCSZEE-MFKMUULPSA-N 1 0 388.224 2.597 20 0 GFADRO C[NH+](C)CC1CCN(C(=O)[C@]2(C)CC2(Br)Br)CC1 ZINC000827506021 660499670 /nfs/dbraw/zinc/49/96/70/660499670.db2.gz BEWSEPZSQCLRPG-LBPRGKRZSA-N 1 0 382.140 2.683 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)c(C)c1C[N@@H+]1CCCN(C=O)CC1 ZINC000827876851 660521094 /nfs/dbraw/zinc/52/10/94/660521094.db2.gz FWJBDVQLIJKKAI-UHFFFAOYSA-N 1 0 391.313 2.916 20 0 GFADRO Cn1c(C(=O)N2CC[N@H+](C)C(C)(C)CC2)cc2cc(Br)cnc21 ZINC000828299634 660543078 /nfs/dbraw/zinc/54/30/78/660543078.db2.gz GAOBXKAVVTYMBI-UHFFFAOYSA-N 1 0 379.302 2.892 20 0 GFADRO CC[NH+]1CCC(CCNC(=O)c2csc(I)n2)CC1 ZINC000828752538 660568742 /nfs/dbraw/zinc/56/87/42/660568742.db2.gz XZOLOCPWVYSKTM-UHFFFAOYSA-N 1 0 393.294 2.600 20 0 GFADRO CCO[C@H]1C[C@@]([NH3+])(C(=O)NCCc2ccc(Br)cc2F)C1(C)C ZINC000828982231 660577795 /nfs/dbraw/zinc/57/77/95/660577795.db2.gz DNEPMCKZPSIYSQ-WMLDXEAASA-N 1 0 387.293 2.779 20 0 GFADRO C[C@H](CNS(=O)(=O)c1cnc(Cl)c(Br)c1)C[NH+]1CCCC1 ZINC000830082445 660633167 /nfs/dbraw/zinc/63/31/67/660633167.db2.gz DUYZURBSYLKAJV-SNVBAGLBSA-N 1 0 396.738 2.508 20 0 GFADRO O=C1OCCN1C[C@H]1CC[N@@H+](C[C@@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000830094981 660634620 /nfs/dbraw/zinc/63/46/20/660634620.db2.gz KGYBTRACDAYOGW-QWHCGFSZSA-N 1 0 389.279 2.507 20 0 GFADRO Cc1cc(S(=O)(=O)NCC[NH2+]Cc2ccc(C(C)(C)O)cc2)c(C)s1 ZINC000830314888 660647934 /nfs/dbraw/zinc/64/79/34/660647934.db2.gz YYLMKIGXURGVKZ-UHFFFAOYSA-N 1 0 382.551 2.660 20 0 GFADRO C[N@@H+]1CCC[C@@H]1C(=O)NCc1cc(Br)cc(Br)c1N ZINC000830247264 660645224 /nfs/dbraw/zinc/64/52/24/660645224.db2.gz VAILJQPWACWUBN-LLVKDONJSA-N 1 0 391.107 2.504 20 0 GFADRO C[S@@](=O)CC[N@@H+]1CC[C@H](Cc2cccc(I)c2)C1 ZINC000830515360 660660575 /nfs/dbraw/zinc/66/05/75/660660575.db2.gz VFGMEFYVCGLJII-FZKQIMNGSA-N 1 0 377.291 2.534 20 0 GFADRO [NH3+]CCCCCCNC(=O)N[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000831123118 660697500 /nfs/dbraw/zinc/69/75/00/660697500.db2.gz DHUXDDCCJBJUTO-HNNXBMFYSA-N 1 0 383.334 2.846 20 0 GFADRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NS(=O)(=O)c1c[nH]nc1Cl ZINC000831404916 660709669 /nfs/dbraw/zinc/70/96/69/660709669.db2.gz YAALWQGATPRZLP-OAHLLOKOSA-N 1 0 382.917 2.642 20 0 GFADRO O=C(N1C[C@@H]2CC[N@@H+](C[C@H](O)c3cccc(Cl)c3)C[C@H]2C1)C(F)(F)F ZINC000831572034 660713357 /nfs/dbraw/zinc/71/33/57/660713357.db2.gz RESCNPJZHIOTEL-YDHLFZDLSA-N 1 0 376.806 2.716 20 0 GFADRO [NH3+][C@@H](CC(=O)NCc1cc(Br)ccc1Br)C1CC1 ZINC000831922233 660737276 /nfs/dbraw/zinc/73/72/76/660737276.db2.gz ZNOFNIBPPMFMDM-LBPRGKRZSA-N 1 0 376.092 2.955 20 0 GFADRO O=C(c1cnn(-c2ncccc2Cl)c1C(F)(F)Cl)N1CCC[NH2+]CC1 ZINC000832255826 660769512 /nfs/dbraw/zinc/76/95/12/660769512.db2.gz PMZBRMDDCOKEIK-UHFFFAOYSA-N 1 0 390.221 2.644 20 0 GFADRO CN(C)c1nc(Cl)c(C(=O)Nc2cccc(C[N@@H+]3CC[C@@H](O)C3)c2)s1 ZINC000833056993 660804759 /nfs/dbraw/zinc/80/47/59/660804759.db2.gz RMMOPJBBBPOIAO-CYBMUJFWSA-N 1 0 380.901 2.681 20 0 GFADRO C[NH2+]C1(CNC(=O)c2c(Cl)ccc(I)c2F)CCC1 ZINC000899150125 663677843 /nfs/dbraw/zinc/67/78/43/663677843.db2.gz GSHNYLSKIALBBL-UHFFFAOYSA-N 1 0 396.631 2.956 20 0 GFADRO CC(C)[C@H](C[NH2+][C@@H](C)c1nc(Br)cs1)N1CCN(C)CC1 ZINC000834502821 660822754 /nfs/dbraw/zinc/82/27/54/660822754.db2.gz UJCBJXUJZNCEQK-STQMWFEESA-N 1 0 375.380 2.828 20 0 GFADRO C[C@@H]([NH2+]C[C@]1(N2CCOCC2)CCSC1)c1nc(Br)cs1 ZINC000834534036 660823521 /nfs/dbraw/zinc/82/35/21/660823521.db2.gz DGCXYEXFAUIWCX-BXUZGUMPSA-N 1 0 392.388 2.764 20 0 GFADRO C[C@H]([NH2+]C[C@@H](O)c1cnn(C)c1)c1ccc(F)c(I)c1 ZINC000834601885 660826156 /nfs/dbraw/zinc/82/61/56/660826156.db2.gz DEYYUOMMUXKLIH-LKFCYVNXSA-N 1 0 389.212 2.548 20 0 GFADRO C[C@@H]([NH2+]C[C@@H](O)c1cnn(C)c1)c1ccc(F)c(I)c1 ZINC000834601888 660826163 /nfs/dbraw/zinc/82/61/63/660826163.db2.gz DEYYUOMMUXKLIH-YMTOWFKASA-N 1 0 389.212 2.548 20 0 GFADRO C[C@@H](CCCc1cccnc1)[NH2+]C1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000834620025 660827146 /nfs/dbraw/zinc/82/71/46/660827146.db2.gz MXHTURQMLQJARQ-ZDUSSCGKSA-N 1 0 379.448 2.696 20 0 GFADRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)c1csc(I)n1 ZINC000834736288 660831509 /nfs/dbraw/zinc/83/15/09/660831509.db2.gz KTOPQNVKPHRBAT-JTQLQIEISA-N 1 0 393.294 2.598 20 0 GFADRO [NH3+]CC[C@H](NC(=O)c1csc(COc2ccc(F)cc2)n1)C(F)(F)F ZINC000834862318 660835587 /nfs/dbraw/zinc/83/55/87/660835587.db2.gz RRLODISMCPENFC-LBPRGKRZSA-N 1 0 377.363 2.871 20 0 GFADRO CC[C@H]([NH2+]CCS(=O)(=O)C1CCOCC1)c1ccc(OC(F)F)cc1 ZINC000834886892 660837069 /nfs/dbraw/zinc/83/70/69/660837069.db2.gz QBKDIBLIUJMMQP-INIZCTEOSA-N 1 0 377.453 2.923 20 0 GFADRO CS[C@@H](CO)[C@H](C)[NH2+]Cc1nc2c(s1)CN(C(=O)OC(C)(C)C)CC2 ZINC000835040570 660839231 /nfs/dbraw/zinc/83/92/31/660839231.db2.gz QCBCUXNKHISPPT-FZMZJTMJSA-N 1 0 387.571 2.638 20 0 GFADRO C[C@]1(CNC(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)CC1(Cl)Cl ZINC000836393109 660903362 /nfs/dbraw/zinc/90/33/62/660903362.db2.gz PFWKPLHQMIIKRF-NVXWUHKLSA-N 1 0 386.323 2.636 20 0 GFADRO CCC[N@H+](CC)C[C@H](C)NC(=O)NC[C@H](O)c1ccccc1Br ZINC000836468726 660908723 /nfs/dbraw/zinc/90/87/23/660908723.db2.gz ORYFYRZJWVVUDR-BBRMVZONSA-N 1 0 386.334 2.902 20 0 GFADRO COc1nc(Br)ccc1NC(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000836557751 660915991 /nfs/dbraw/zinc/91/59/91/660915991.db2.gz SLEDBZSXYKBUPC-UHFFFAOYSA-N 1 0 383.290 2.991 20 0 GFADRO Cc1c(Br)nccc1NC(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000836679455 660926843 /nfs/dbraw/zinc/92/68/43/660926843.db2.gz DRXHJXUIHPAQKW-LSDHHAIUSA-N 1 0 397.317 2.652 20 0 GFADRO Cc1cc(Br)nc(NC(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000836759607 660938787 /nfs/dbraw/zinc/93/87/87/660938787.db2.gz VVXOFUMJOOPKKC-STQMWFEESA-N 1 0 385.306 2.773 20 0 GFADRO CC(=O)Nc1ccc(C[NH+]2CCC(NC(=O)[C@@H]3CC3(Cl)Cl)CC2)cc1 ZINC000836849882 660949867 /nfs/dbraw/zinc/94/98/67/660949867.db2.gz ZTTZGNHSFVWXFF-INIZCTEOSA-N 1 0 384.307 2.919 20 0 GFADRO COC(=O)c1ccc(Cl)c(S(=O)(=O)NCC[NH+](C(C)C)C(C)C)c1 ZINC000012141575 654499925 /nfs/dbraw/zinc/49/99/25/654499925.db2.gz QNQCQLPXICDUEK-UHFFFAOYSA-N 1 0 376.906 2.524 20 0 GFADRO CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)C[NH+]1CCCC1 ZINC000016334331 654517847 /nfs/dbraw/zinc/51/78/47/654517847.db2.gz YHBTZPXEKUXOMF-UHFFFAOYSA-N 1 0 377.794 2.852 20 0 GFADRO CCn1c(SCC(=O)NC2CC[NH+](CC)CC2)nnc1-c1cccs1 ZINC000027118292 654562455 /nfs/dbraw/zinc/56/24/55/654562455.db2.gz NFWSWJGLINHIBJ-UHFFFAOYSA-N 1 0 379.555 2.719 20 0 GFADRO C[NH+](C)C1(CNC(=O)CS(=O)(=O)c2ccc(Cl)cc2)CCCCCC1 ZINC000027107648 654562516 /nfs/dbraw/zinc/56/25/16/654562516.db2.gz AAOVIQDGGZAWDV-UHFFFAOYSA-N 1 0 386.945 2.885 20 0 GFADRO CN(CCC[NH2+]Cc1ccc(-c2nc3ccccc3s2)o1)S(C)(=O)=O ZINC000030914263 654590339 /nfs/dbraw/zinc/59/03/39/654590339.db2.gz GLKPJQSHSQCQDY-UHFFFAOYSA-N 1 0 379.507 2.927 20 0 GFADRO COc1c(Br)cc(Cl)cc1S(=O)(=O)NCCC[NH2+]C(C)C ZINC000036299864 654612135 /nfs/dbraw/zinc/61/21/35/654612135.db2.gz XQZKKTRFZXQBJC-UHFFFAOYSA-N 1 0 399.738 2.778 20 0 GFADRO CCCS(=O)(=O)N1CCC([NH2+]Cc2cccc(Br)c2)CC1 ZINC000037142888 654614254 /nfs/dbraw/zinc/61/42/54/654614254.db2.gz BXNGVUKJQDDINJ-UHFFFAOYSA-N 1 0 375.332 2.743 20 0 GFADRO COc1c(Br)cc(C[NH2+]C[C@@H]2COCCO2)cc1Br ZINC000037998276 654616277 /nfs/dbraw/zinc/61/62/77/654616277.db2.gz QUNAYBLYDHSSOH-SNVBAGLBSA-N 1 0 395.091 2.725 20 0 GFADRO CS(=O)(=O)c1ccc([C@H](O)C[NH2+]Cc2ccc(Br)s2)cc1 ZINC000037998549 654616358 /nfs/dbraw/zinc/61/63/58/654616358.db2.gz AKGVPLNFMCYMGP-CYBMUJFWSA-N 1 0 390.324 2.737 20 0 GFADRO CCN(CCC[NH2+][C@H](C)c1ccc(F)c(Br)c1)S(C)(=O)=O ZINC000038035590 654616638 /nfs/dbraw/zinc/61/66/38/654616638.db2.gz LOUYQFPWQHYKAO-LLVKDONJSA-N 1 0 381.311 2.910 20 0 GFADRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)COc2ccc(C=O)cc2Br)C1 ZINC000837185542 660975894 /nfs/dbraw/zinc/97/58/94/660975894.db2.gz IBTMUUZFWSCASE-AWEZNQCLSA-N 1 0 383.286 2.582 20 0 GFADRO C[C@@H]1C[NH+](CCCNC(=O)C(=O)Nc2cc(Cl)ccc2Cl)C[C@@H](C)O1 ZINC000041275513 654625285 /nfs/dbraw/zinc/62/52/85/654625285.db2.gz ZBDDJQGWIYIFDL-VXGBXAGGSA-N 1 0 388.295 2.547 20 0 GFADRO CN1CC[NH+](CCCCNC(=O)c2ccc(C3SCCS3)cc2)CC1 ZINC000041362686 654625790 /nfs/dbraw/zinc/62/57/90/654625790.db2.gz WGYHNLWDSSQMDN-UHFFFAOYSA-N 1 0 379.595 2.923 20 0 GFADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C(=O)Nc2cccc(Br)c2)C1 ZINC000041728951 654630185 /nfs/dbraw/zinc/63/01/85/654630185.db2.gz FGILSSRJKIZRKR-OKILXGFUSA-N 1 0 396.329 2.872 20 0 GFADRO C[C@H](NC(=O)c1ccc(Br)cc1)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000042762398 654644141 /nfs/dbraw/zinc/64/41/41/654644141.db2.gz NJRUZGXTEIWWPM-ZDUSSCGKSA-N 1 0 396.329 2.558 20 0 GFADRO CC(C)[NH+]1CCC(NC(=O)c2ccc(S(=O)(=O)C(F)(F)F)cc2)CC1 ZINC000044916789 654664871 /nfs/dbraw/zinc/66/48/71/654664871.db2.gz UDFDSOFEMCJKCM-UHFFFAOYSA-N 1 0 378.416 2.583 20 0 GFADRO CC[NH+]1CCC(NC(=O)c2ccc(-n3cc(Br)cn3)cc2)CC1 ZINC000047432268 654694781 /nfs/dbraw/zinc/69/47/81/654694781.db2.gz NBGFRWPGGYYQEJ-UHFFFAOYSA-N 1 0 377.286 2.849 20 0 GFADRO CN(C)S(=O)(=O)c1ccc(C[NH2+]Cc2cccc(Br)c2)cc1 ZINC000047771129 654700371 /nfs/dbraw/zinc/70/03/71/654700371.db2.gz VMBHFSGCJXGXRT-UHFFFAOYSA-N 1 0 383.311 2.989 20 0 GFADRO Cc1ccc(NC(=O)C(=O)NC2CC[NH+](C(C)C)CC2)c(Br)c1 ZINC000048773023 654713002 /nfs/dbraw/zinc/71/30/02/654713002.db2.gz JPTMELRKGNRECV-UHFFFAOYSA-N 1 0 382.302 2.685 20 0 GFADRO CC(C)[C@@H](C[NH+](C)C)NC(=O)c1cn(Cc2ccc(Cl)cc2Cl)nn1 ZINC000837415857 660994749 /nfs/dbraw/zinc/99/47/49/660994749.db2.gz ZUFITMFUUKDDLG-OAHLLOKOSA-N 1 0 384.311 2.949 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2c(Br)nc3n2CCCC3)C[C@H]1C ZINC000837429512 660995990 /nfs/dbraw/zinc/99/59/90/660995990.db2.gz CTUPRDDDKQXYTC-OLZOCXBDSA-N 1 0 383.334 2.927 20 0 GFADRO C[N@@H+]1CCC[C@@H]2CN(S(=O)(=O)c3ccc(F)cc3C(F)(F)F)CC[C@@H]21 ZINC000122355448 654735544 /nfs/dbraw/zinc/73/55/44/654735544.db2.gz CQCCYJWAQMREMT-RISCZKNCSA-N 1 0 380.407 2.949 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)C(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000122458539 654738320 /nfs/dbraw/zinc/73/83/20/654738320.db2.gz QYMRKUQYICJQBN-LBPRGKRZSA-N 1 0 382.302 2.544 20 0 GFADRO C[NH+](C)CCN1CCN(C(=O)c2csc(-c3cccc(Cl)c3)n2)CC1 ZINC000053305380 654743717 /nfs/dbraw/zinc/74/37/17/654743717.db2.gz ZPGXLUSMDJXADB-UHFFFAOYSA-N 1 0 378.929 2.783 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)C(=O)NC[C@H](C(C)C)[NH+]1CCCC1 ZINC000122831270 654744169 /nfs/dbraw/zinc/74/41/69/654744169.db2.gz PWJRCPPUBSJDPK-MRXNPFEDSA-N 1 0 396.329 2.933 20 0 GFADRO CN(C)C(=O)C1CC[NH+](C[C@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000053399294 654745709 /nfs/dbraw/zinc/74/57/09/654745709.db2.gz ROFFWAVIENCWKM-ZDUSSCGKSA-N 1 0 375.296 2.533 20 0 GFADRO CCCS(=O)(=O)N1CCC([NH2+]Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000122922882 654747248 /nfs/dbraw/zinc/74/72/48/654747248.db2.gz MGPBKSNLBKFYAN-UHFFFAOYSA-N 1 0 380.432 2.879 20 0 GFADRO Cc1n[nH]c(C(=O)NCCC[N@@H+]2CCc3ccccc3C2)c1Br ZINC000054676031 654762871 /nfs/dbraw/zinc/76/28/71/654762871.db2.gz JOZBCVVZVQAREB-UHFFFAOYSA-N 1 0 377.286 2.659 20 0 GFADRO CNC(=O)NC(=O)CN[C@H](c1cccc(F)c1)c1cccc(Br)c1 ZINC000123940536 654766242 /nfs/dbraw/zinc/76/62/42/654766242.db2.gz GCQIDIJYVNZWBP-INIZCTEOSA-N 1 0 394.244 2.723 20 0 GFADRO CCC(CC)(C[NH3+])NS(=O)(=O)c1cc(Br)c(C)cc1OC ZINC000124063655 654770199 /nfs/dbraw/zinc/77/01/99/654770199.db2.gz APQISVHXMMQFBE-UHFFFAOYSA-N 1 0 379.320 2.562 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)C(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000124528402 654777448 /nfs/dbraw/zinc/77/74/48/654777448.db2.gz CKRPVMGJGQFSLM-UHFFFAOYSA-N 1 0 396.329 2.886 20 0 GFADRO C[NH+](C)C[C@@](C)(O)CNC(=O)NCC(C)(C)c1c(Cl)cccc1Cl ZINC000125611039 654799422 /nfs/dbraw/zinc/79/94/22/654799422.db2.gz FRCJVALCKLGACD-KRWDZBQOSA-N 1 0 376.328 2.883 20 0 GFADRO CC(C)[C@@H](C(=O)OCCn1cc(Br)ccc1=O)[NH+]1CCCCC1 ZINC000126246540 654811354 /nfs/dbraw/zinc/81/13/54/654811354.db2.gz ZMQCAALITSDHTE-INIZCTEOSA-N 1 0 385.302 2.665 20 0 GFADRO O[C@H](COc1c(Cl)cccc1Cl)CN1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000057941906 654813069 /nfs/dbraw/zinc/81/30/69/654813069.db2.gz GCLODKSGDHKAGR-LSDHHAIUSA-N 1 0 389.323 2.530 20 0 GFADRO C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000058860704 654823314 /nfs/dbraw/zinc/82/33/14/654823314.db2.gz DYBHNOBJUZHRSA-AWEZNQCLSA-N 1 0 388.339 2.905 20 0 GFADRO C[C@H](CCS(C)(=O)=O)[NH2+][C@H](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000127201993 654826356 /nfs/dbraw/zinc/82/63/56/654826356.db2.gz WKCTZRXWWMCTKV-VXGBXAGGSA-N 1 0 380.432 2.835 20 0 GFADRO Cc1[nH]c(=O)c(C(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)cc1Br ZINC000127432452 654830066 /nfs/dbraw/zinc/83/00/66/654830066.db2.gz KPLPVNSDUKYSKX-ZDUSSCGKSA-N 1 0 382.302 2.949 20 0 GFADRO CC(C)C[C@H](NC(=O)c1cc(Cl)sc1Cl)C(=O)NCC[NH+](C)C ZINC000127919974 654837545 /nfs/dbraw/zinc/83/75/45/654837545.db2.gz QSBCFXGXVSAUGJ-NSHDSACASA-N 1 0 380.341 2.877 20 0 GFADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)COc2cc(Cl)cc(Cl)c2)C1 ZINC000061356609 654838527 /nfs/dbraw/zinc/83/85/27/654838527.db2.gz BPCWIGVPTGHBAT-MRXNPFEDSA-N 1 0 375.296 2.845 20 0 GFADRO CC(C)(C)[NH2+]CCNC(=O)C(=O)Nc1ccc(Br)cc1Cl ZINC000128025823 654839710 /nfs/dbraw/zinc/83/97/10/654839710.db2.gz KBLKHJNQQAAXGN-UHFFFAOYSA-N 1 0 376.682 2.545 20 0 GFADRO COCc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1ccc(Br)cc1F)CC2 ZINC000128031229 654840145 /nfs/dbraw/zinc/84/01/45/654840145.db2.gz ZVOTZOHGRHMCHR-JQWIXIFHSA-N 1 0 383.265 2.992 20 0 GFADRO Cc1cccc(C(=O)N[C@@H](CC(C)C)C(=O)NCC[NH+](C)C)c1Br ZINC000128045659 654840537 /nfs/dbraw/zinc/84/05/37/654840537.db2.gz VNFTUMHWTFXFGS-HNNXBMFYSA-N 1 0 398.345 2.580 20 0 GFADRO C[N@H+](CCNC(=O)c1cc(Cl)ccc1I)C1CC1 ZINC000063116721 654848904 /nfs/dbraw/zinc/84/89/04/654848904.db2.gz JGURKQMEXXHXLH-UHFFFAOYSA-N 1 0 378.641 2.769 20 0 GFADRO Cc1ccc(Br)cc1S(=O)(=O)N(C)CC1CC[NH+](C)CC1 ZINC000063125584 654849286 /nfs/dbraw/zinc/84/92/86/654849286.db2.gz UBNHUKSDTJPUGF-UHFFFAOYSA-N 1 0 375.332 2.720 20 0 GFADRO C[NH+]1CCC(NC(=S)NNC(=S)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000063143130 654849514 /nfs/dbraw/zinc/84/95/14/654849514.db2.gz XDRDXMJUYSLIGN-UHFFFAOYSA-N 1 0 392.381 2.753 20 0 GFADRO COc1cc(CN[C@H](C)CC[NH+](C)C)cc(I)c1OC ZINC000063319231 654852054 /nfs/dbraw/zinc/85/20/54/654852054.db2.gz QEZOFTKCJPZOGT-LLVKDONJSA-N 1 0 392.281 2.738 20 0 GFADRO O[C@H](C[NH2+]Cc1cccc(Br)c1)COc1ccc2c(c1)OCO2 ZINC000063523819 654853746 /nfs/dbraw/zinc/85/37/46/654853746.db2.gz LEEZJNNNXNGEPK-CQSZACIVSA-N 1 0 380.238 2.707 20 0 GFADRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3cccc(I)c3)CC[C@@H]21 ZINC000129119319 654857259 /nfs/dbraw/zinc/85/72/59/654857259.db2.gz PJIZBFZYVHQCCM-ZFWWWQNUSA-N 1 0 384.261 2.848 20 0 GFADRO CCN(C(C)=O)c1nc(CN2CC[NH+](CCc3cccs3)CC2)cs1 ZINC000064352070 654866686 /nfs/dbraw/zinc/86/66/86/654866686.db2.gz JSLXWLQHRZENNZ-UHFFFAOYSA-N 1 0 378.567 2.938 20 0 GFADRO CCc1ccc(CNC(=O)CN2CC[NH+](CCc3cccs3)CC2)s1 ZINC000064352528 654866852 /nfs/dbraw/zinc/86/68/52/654866852.db2.gz OMHGULOARCXLHL-UHFFFAOYSA-N 1 0 377.579 2.849 20 0 GFADRO CN(CCCN1CC[NH+](C)CC1)C(=O)/C=C/c1cc(Br)cs1 ZINC000266323805 654872040 /nfs/dbraw/zinc/87/20/40/654872040.db2.gz ILYBOTGGNCLXMR-SNAWJCMRSA-N 1 0 386.359 2.620 20 0 GFADRO C[C@@H]1CN(C(=O)c2c(Cl)ccc(I)c2F)CC[C@@H]1[NH3+] ZINC000911816649 664256860 /nfs/dbraw/zinc/25/68/60/664256860.db2.gz CUNSTHGXWGJJCE-XCBNKYQSSA-N 1 0 396.631 2.893 20 0 GFADRO C[C@@H]1C[C@@H](N(C)S(=O)(=O)c2ccc(F)c(Br)c2)CC[N@@H+]1C ZINC000266454515 654880122 /nfs/dbraw/zinc/88/01/22/654880122.db2.gz OUPXPUVLIKUBGD-MNOVXSKESA-N 1 0 379.295 2.691 20 0 GFADRO C[C@H]1C[C@H](N(C)C(=O)CCN2C(=S)N=NC2c2cccs2)CC[N@@H+]1C ZINC000266554510 654884832 /nfs/dbraw/zinc/88/48/32/654884832.db2.gz ULPIRZMCSUQYQX-QWHCGFSZSA-N 1 0 379.555 2.627 20 0 GFADRO NC(=O)NC(=O)CCC[NH+]1CCC(C(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000065951120 654891133 /nfs/dbraw/zinc/89/11/33/654891133.db2.gz SMNMJVWVBVNIRZ-UHFFFAOYSA-N 1 0 386.279 2.863 20 0 GFADRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]CC(=O)Nc2ccc(Br)cc2)C1 ZINC000130867417 654892630 /nfs/dbraw/zinc/89/26/30/654892630.db2.gz NONZGHJXUCJKOX-AWEZNQCLSA-N 1 0 398.301 2.987 20 0 GFADRO C[C@H]([NH2+]C[C@H](O)c1ccccc1Cl)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000266813243 654895266 /nfs/dbraw/zinc/89/52/66/654895266.db2.gz WTJIVUHXUMQVFW-UGSOOPFHSA-N 1 0 382.913 2.975 20 0 GFADRO CC[NH+]1CCN(CCC(=O)N2CCSC[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000266822196 654895505 /nfs/dbraw/zinc/89/55/05/654895505.db2.gz FYNXSFZXPMQMID-GOSISDBHSA-N 1 0 381.973 2.984 20 0 GFADRO COc1cc([C@@H](C)[NH2+]C[C@H](C)N(C)C2CC2)ccc1S(=O)(=O)C(F)F ZINC000131006901 654895782 /nfs/dbraw/zinc/89/57/82/654895782.db2.gz CKJGUTUOUDNXEK-NWDGAFQWSA-N 1 0 376.469 2.825 20 0 GFADRO CC[C@H](C)[N@H+](C)CCNC(=O)/C=C/c1ccc(I)o1 ZINC000066150106 654896104 /nfs/dbraw/zinc/89/61/04/654896104.db2.gz QHDADHWSSWFMJO-IOCXFXADSA-N 1 0 376.238 2.744 20 0 GFADRO CC(C)[NH+]1CCN(CCCOC(=O)[C@@H](O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000838145727 661030645 /nfs/dbraw/zinc/03/06/45/661030645.db2.gz NLXWZQARVZBIOZ-KRWDZBQOSA-N 1 0 389.323 2.986 20 0 GFADRO C[NH+]1CCC(O)(CNC(=O)C2(c3cccc(Br)c3)CCCC2)CC1 ZINC000267006116 654904097 /nfs/dbraw/zinc/90/40/97/654904097.db2.gz AMPDXDNSRXWERI-UHFFFAOYSA-N 1 0 395.341 2.834 20 0 GFADRO OC[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1Nc1ncc(Br)cn1 ZINC000267018566 654905115 /nfs/dbraw/zinc/90/51/15/654905115.db2.gz JKDWVQUABSEKMY-GDBMZVCRSA-N 1 0 377.286 2.534 20 0 GFADRO Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[NH2+]C[C@H]1CCCS1(=O)=O ZINC000131678500 654913245 /nfs/dbraw/zinc/91/32/45/654913245.db2.gz HLVZATVYGZUBKE-QGZVFWFLSA-N 1 0 381.929 2.868 20 0 GFADRO CC(=O)Nc1ccc(S(=O)(=O)N(C)C2CC[NH+](C(C)C)CC2)cc1Cl ZINC000267226840 654918751 /nfs/dbraw/zinc/91/87/51/654918751.db2.gz QWMCQLUUZVJDGO-UHFFFAOYSA-N 1 0 387.933 2.792 20 0 GFADRO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1ccc(NC(C)=O)c(Cl)c1 ZINC000267259438 654920891 /nfs/dbraw/zinc/92/08/91/654920891.db2.gz WFLKUGIFNYDTGF-ZIAGYGMSSA-N 1 0 385.917 2.546 20 0 GFADRO C[NH+](C)CCCOC1CCN(C(=O)COc2cccc(Br)c2)CC1 ZINC000267291913 654922612 /nfs/dbraw/zinc/92/26/12/654922612.db2.gz VRWOMPXZLVJPQZ-UHFFFAOYSA-N 1 0 399.329 2.787 20 0 GFADRO Oc1ccccc1C[NH2+]C[C@H](O)COc1ccc(I)cc1 ZINC000066992937 654924719 /nfs/dbraw/zinc/92/47/19/654924719.db2.gz ZHKGLRXWQHVIBJ-AWEZNQCLSA-N 1 0 399.228 2.526 20 0 GFADRO COc1c(Cl)cc(NC(=O)C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)cc1Cl ZINC000267385659 654926414 /nfs/dbraw/zinc/92/64/14/654926414.db2.gz GRNFCSIJAYAOIC-CMPLNLGQSA-N 1 0 388.295 2.930 20 0 GFADRO NC(=O)c1csc(C[NH2+]C[C@H](c2cccc(Cl)c2)N2CCOCC2)c1 ZINC000132256778 654931189 /nfs/dbraw/zinc/93/11/89/654931189.db2.gz QGZYVRJHBKVXGQ-QGZVFWFLSA-N 1 0 379.913 2.664 20 0 GFADRO Cc1cc(CCC(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)ccc1Br ZINC000267581965 654936021 /nfs/dbraw/zinc/93/60/21/654936021.db2.gz LMPBRLMSRWNHSZ-OAHLLOKOSA-N 1 0 396.373 2.690 20 0 GFADRO O=C(C[NH2+][C@]1(CO)CCc2ccccc21)Nc1ccccc1Br ZINC000132387581 654936424 /nfs/dbraw/zinc/93/64/24/654936424.db2.gz GHWCRJMRHWUQBH-SFHVURJKSA-N 1 0 375.266 2.811 20 0 GFADRO C[C@H](CNC(=O)C(=O)Nc1ccccc1Br)[NH+]1CCC(C)CC1 ZINC000067764244 654945045 /nfs/dbraw/zinc/94/50/45/654945045.db2.gz NYEIJTGBAJDVEB-CYBMUJFWSA-N 1 0 382.302 2.624 20 0 GFADRO O=C(Nc1cc(Br)c[nH]c1=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000067937923 654949271 /nfs/dbraw/zinc/94/92/71/654949271.db2.gz LZVUIJJRHQWDRP-AWEZNQCLSA-N 1 0 390.281 2.988 20 0 GFADRO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)NC[C@H]1CC[N@@H+](C)C1 ZINC000267943502 654953584 /nfs/dbraw/zinc/95/35/84/654953584.db2.gz DCOQORYENRGAPH-LLVKDONJSA-N 1 0 379.254 2.545 20 0 GFADRO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC000267943503 654953689 /nfs/dbraw/zinc/95/36/89/654953689.db2.gz DCOQORYENRGAPH-NSHDSACASA-N 1 0 379.254 2.545 20 0 GFADRO Cc1cc(Br)ccc1S(=O)(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000133385558 654962656 /nfs/dbraw/zinc/96/26/56/654962656.db2.gz SPSNJWRPZZTXNV-TZMCWYRMSA-N 1 0 375.332 2.861 20 0 GFADRO O=C(Cc1ccccc1S(=O)(=O)C(F)F)OCCC[NH+]1CCCCC1 ZINC000838297759 661037260 /nfs/dbraw/zinc/03/72/60/661037260.db2.gz ORIJFPSZCGUFOO-UHFFFAOYSA-N 1 0 375.437 2.645 20 0 GFADRO Cc1nc(C)c(NC(=O)C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)s1 ZINC000268209053 654963471 /nfs/dbraw/zinc/96/34/71/654963471.db2.gz ZTBPKWXZOWSJLL-ZDUSSCGKSA-N 1 0 378.523 2.713 20 0 GFADRO C[NH+](C)[C@H]1CCCN(C(=O)c2ccc(-n3cc(Br)cn3)cc2)C1 ZINC000068487064 654963934 /nfs/dbraw/zinc/96/39/34/654963934.db2.gz HGQJGFRNYXKAJF-INIZCTEOSA-N 1 0 377.286 2.801 20 0 GFADRO C[C@@H](NC(=O)C(=O)Nc1cc(F)ccc1Br)C(C)(C)C[NH+](C)C ZINC000133494834 654964817 /nfs/dbraw/zinc/96/48/17/654964817.db2.gz GKYORVWXPYUIIL-SNVBAGLBSA-N 1 0 388.281 2.619 20 0 GFADRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)NCCOc2ccc(Br)cc2)C1 ZINC000068547551 654965496 /nfs/dbraw/zinc/96/54/96/654965496.db2.gz QFYKFPVRKGTXJU-AWEZNQCLSA-N 1 0 384.318 2.857 20 0 GFADRO CN(Cc1cc(Br)cn1C)C(=O)CC1([NH+]2CCOCC2)CCCC1 ZINC000268329798 654967194 /nfs/dbraw/zinc/96/71/94/654967194.db2.gz MNPNZPWEQRYHSH-UHFFFAOYSA-N 1 0 398.345 2.781 20 0 GFADRO CC(C)(C)[NH2+]CCNC(=O)c1cc(F)c(F)cc1I ZINC000133559527 654967322 /nfs/dbraw/zinc/96/73/22/654967322.db2.gz XDEUMZBGRJJINB-UHFFFAOYSA-N 1 0 382.192 2.687 20 0 GFADRO Cc1csc([C@](O)(CC(=O)N2CCC[N@@H+](C(C)C)CC2)C(F)(F)F)n1 ZINC000068775792 654967680 /nfs/dbraw/zinc/96/76/80/654967680.db2.gz YQGYZBAWCPBMFZ-OAHLLOKOSA-N 1 0 379.448 2.534 20 0 GFADRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)c2ccc(Br)o2)CC1 ZINC000133733758 654972432 /nfs/dbraw/zinc/97/24/32/654972432.db2.gz STQITNXBHBCLQG-KBPBESRZSA-N 1 0 384.318 2.673 20 0 GFADRO C[NH+]1CCN(C[C@H](NS(=O)(=O)c2ccc(Cl)s2)c2ccccc2)CC1 ZINC000069126753 654974230 /nfs/dbraw/zinc/97/42/30/654974230.db2.gz JNQGVUJFANSGQM-HNNXBMFYSA-N 1 0 399.969 2.669 20 0 GFADRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1cc(I)ccc1F ZINC000268531048 654976610 /nfs/dbraw/zinc/97/66/10/654976610.db2.gz PZXUHAIHGWAGDQ-YGRLFVJLSA-N 1 0 390.240 2.843 20 0 GFADRO Cc1ccc(C(=O)NCC[NH2+][C@H](C)Cn2cc(Br)cn2)cc1F ZINC000133912960 654977208 /nfs/dbraw/zinc/97/72/08/654977208.db2.gz XJMGGOLSHQPALA-GFCCVEGCSA-N 1 0 383.265 2.501 20 0 GFADRO CC(C)C(=O)N1CCC[N@H+](C[C@@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000069609037 654984024 /nfs/dbraw/zinc/98/40/24/654984024.db2.gz QDOOVYGARWHRQD-OAHLLOKOSA-N 1 0 389.323 2.923 20 0 GFADRO CCS(=O)(=O)NCCC[NH2+]C1(c2ccc(Br)cc2)CCC1 ZINC000134135994 654984302 /nfs/dbraw/zinc/98/43/02/654984302.db2.gz MWFCMLKRNHXINK-UHFFFAOYSA-N 1 0 375.332 2.747 20 0 GFADRO COc1ccc(C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)c(Br)c1 ZINC000069708823 654985492 /nfs/dbraw/zinc/98/54/92/654985492.db2.gz BQFSBYVBJRSVBZ-AWEZNQCLSA-N 1 0 397.313 2.642 20 0 GFADRO C[NH+](C)C1(CNC(=O)C(=O)Nc2ccc(Br)nc2)CCCCCC1 ZINC000268900393 654990617 /nfs/dbraw/zinc/99/06/17/654990617.db2.gz COEWRCLAUNGCLG-UHFFFAOYSA-N 1 0 397.317 2.553 20 0 GFADRO C[NH2+]CCC1CCN(S(=O)(=O)c2ccc(F)cc2Br)CC1 ZINC000070189490 654992420 /nfs/dbraw/zinc/99/24/20/654992420.db2.gz HLKCPUFHRQQEOD-UHFFFAOYSA-N 1 0 379.295 2.598 20 0 GFADRO COc1cccc([C@H](CNc2ncc(I)cn2)[NH+](C)C)c1 ZINC000134504949 654994595 /nfs/dbraw/zinc/99/45/95/654994595.db2.gz PYYGQGGNEXMWCU-AWEZNQCLSA-N 1 0 398.248 2.805 20 0 GFADRO [NH3+][C@H](Cc1ccccc1)C(=O)N[C@@H]1CCOc2ccc(Br)cc21 ZINC000269038766 654996129 /nfs/dbraw/zinc/99/61/29/654996129.db2.gz GICUBTIUJMGGAO-HZPDHXFCSA-N 1 0 375.266 2.959 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)C(=O)NC[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000071007680 654998123 /nfs/dbraw/zinc/99/81/23/654998123.db2.gz GMSUZUPSZMOKHT-JSGCOSHPSA-N 1 0 396.329 2.933 20 0 GFADRO CCOc1c(Br)cc(C[NH2+]C[C@H](O)COC)cc1Br ZINC000071269968 654999797 /nfs/dbraw/zinc/99/97/97/654999797.db2.gz RAWFTJACARUXAJ-JTQLQIEISA-N 1 0 397.107 2.707 20 0 GFADRO C[C@@H](NC(=O)c1cc(F)c(F)cc1I)[C@@H]1CCC[NH2+]C1 ZINC000269213804 655001920 /nfs/dbraw/zinc/00/19/20/655001920.db2.gz QAXUZRRLLLAJDJ-RKDXNWHRSA-N 1 0 394.203 2.687 20 0 GFADRO CC(C)C[C@H]([NH3+])C(=O)N1CCC(C(=O)Nc2cccc(Br)c2)CC1 ZINC000269227585 655002187 /nfs/dbraw/zinc/00/21/87/655002187.db2.gz OYZBXJOGYMKOMU-INIZCTEOSA-N 1 0 396.329 3.000 20 0 GFADRO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000269236796 655002696 /nfs/dbraw/zinc/00/26/96/655002696.db2.gz WXRGZIAULDHAIR-RNCFNFMXSA-N 1 0 379.254 2.673 20 0 GFADRO C[C@@H]1CN(C(=O)[C@@H]2CCCN2C(=O)c2ccc(Cl)c(Cl)c2)CC[C@H]1[NH3+] ZINC000269293461 655004290 /nfs/dbraw/zinc/00/42/90/655004290.db2.gz VHSFGVRFSMHRNR-LYRGGWFBSA-N 1 0 384.307 2.794 20 0 GFADRO CN(C)C(=O)Nc1ccc(C(=O)NC[C@@]2([NH+](C)C)CCSC2)c(Cl)c1 ZINC000269399674 655008514 /nfs/dbraw/zinc/00/85/14/655008514.db2.gz DUTUYYWUDBDLIW-KRWDZBQOSA-N 1 0 384.933 2.601 20 0 GFADRO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)NCC[C@]1(C)CC1(Cl)Cl ZINC000838686407 661054671 /nfs/dbraw/zinc/05/46/71/661054671.db2.gz MAEHAZUSGCOCOX-MRXNPFEDSA-N 1 0 379.376 2.628 20 0 GFADRO O=C1CNC(=O)N1CC[N@@H+](Cc1ccccc1Br)C1CCCC1 ZINC000135299802 655013420 /nfs/dbraw/zinc/01/34/20/655013420.db2.gz GPFKLWYRTHHSTL-UHFFFAOYSA-N 1 0 380.286 2.746 20 0 GFADRO C[NH+](C)CCOc1cccc(CNC(=O)c2ccnc(Br)c2)c1 ZINC000135317426 655013615 /nfs/dbraw/zinc/01/36/15/655013615.db2.gz TZVOJLSSTNGCMG-UHFFFAOYSA-N 1 0 378.270 2.715 20 0 GFADRO CCOC(=O)C1(NC(=O)CCc2ccccc2Br)CC[NH+](C)CC1 ZINC000135456966 655017158 /nfs/dbraw/zinc/01/71/58/655017158.db2.gz LSPPUGRTORXWBV-UHFFFAOYSA-N 1 0 397.313 2.525 20 0 GFADRO CNC(=O)[C@H](C)C[N@H+](C)Cc1cc(Br)c(OC(F)F)c(OC)c1 ZINC000093898602 655021635 /nfs/dbraw/zinc/02/16/35/655021635.db2.gz XDCCWVMVFLABCX-SECBINFHSA-N 1 0 395.244 2.873 20 0 GFADRO CC(C)[NH+]1CCC(O)(CNS(=O)(=O)c2cccc(Cl)c2Cl)CC1 ZINC000269827417 655023622 /nfs/dbraw/zinc/02/36/22/655023622.db2.gz ORLCHMACFFKWDM-UHFFFAOYSA-N 1 0 381.325 2.507 20 0 GFADRO C[NH+](C)CCN(Cc1ccco1)S(=O)(=O)c1c[nH]c2nccc(Cl)c12 ZINC000093924201 655024435 /nfs/dbraw/zinc/02/44/35/655024435.db2.gz SYSWFUAEFJPUMD-UHFFFAOYSA-N 1 0 382.873 2.562 20 0 GFADRO CC[NH+]1CCN([C@H]2CCN(C(=O)c3ccc(C)cc3Br)C2)CC1 ZINC000269925538 655027727 /nfs/dbraw/zinc/02/77/27/655027727.db2.gz CHVZSBBCAVJARD-HNNXBMFYSA-N 1 0 380.330 2.610 20 0 GFADRO CN1C(=O)C[C@H]([NH2+]Cc2cc(C(N)=O)cs2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000270010952 655031058 /nfs/dbraw/zinc/03/10/58/655031058.db2.gz UMBPNWPXVQSJBP-HOCLYGCPSA-N 1 0 381.860 2.701 20 0 GFADRO COc1cc(C[NH2+]CCC[C@@H](C)CO)cc(I)c1OC ZINC000270302326 655040674 /nfs/dbraw/zinc/04/06/74/655040674.db2.gz SCAYDVIDWGNWBZ-LLVKDONJSA-N 1 0 393.265 2.807 20 0 GFADRO C[N@H+](CCCO)C1CCN(C(=O)COc2cc(Cl)ccc2Cl)CC1 ZINC000270385844 655042879 /nfs/dbraw/zinc/04/28/79/655042879.db2.gz QNWQDASVTQMROA-UHFFFAOYSA-N 1 0 375.296 2.677 20 0 GFADRO C[NH+](C)CCN(Cc1ccccc1F)S(=O)(=O)Cc1ccc(Cl)nc1 ZINC000101573297 655044547 /nfs/dbraw/zinc/04/45/47/655044547.db2.gz CRIDHZWDDGVFCV-UHFFFAOYSA-N 1 0 385.892 2.768 20 0 GFADRO CC[NH+]1CCC(NC(=O)[C@@]23CCC(=O)N2c2cc(Cl)ccc2S3)CC1 ZINC000101686924 655046034 /nfs/dbraw/zinc/04/60/34/655046034.db2.gz FTXVMCWJEREYGI-SFHVURJKSA-N 1 0 379.913 2.869 20 0 GFADRO CC(C)[NH+](CCS[C@H](C)C(=O)Nc1cccc(S(N)(=O)=O)c1)C(C)C ZINC000270584690 655049557 /nfs/dbraw/zinc/04/95/57/655049557.db2.gz UBQYQVWJUOXCER-CQSZACIVSA-N 1 0 387.571 2.513 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+]C1(CO)CCOCC1 ZINC000270669361 655052658 /nfs/dbraw/zinc/05/26/58/655052658.db2.gz VWTUFXCGIQNSTC-UHFFFAOYSA-N 1 0 380.286 2.574 20 0 GFADRO CCS(=O)(=O)NCCC[NH2+]CC1=Cc2cc(Cl)cc(Cl)c2OC1 ZINC000102425749 655055261 /nfs/dbraw/zinc/05/52/61/655055261.db2.gz FVZKPCYLNKIETO-UHFFFAOYSA-N 1 0 379.309 2.688 20 0 GFADRO CCCS(=O)(=O)N1CCC([NH2+]Cc2cccc(OC(F)(F)F)c2)CC1 ZINC000102780444 655060742 /nfs/dbraw/zinc/06/07/42/655060742.db2.gz FLVVJLRMZXJBHG-UHFFFAOYSA-N 1 0 380.432 2.879 20 0 GFADRO CCOCCOc1ccc(Br)cc1C[N@H+](C)CCCC(=O)NC ZINC000271200137 655070224 /nfs/dbraw/zinc/07/02/24/655070224.db2.gz WHZBAJZKAARDGV-UHFFFAOYSA-N 1 0 387.318 2.822 20 0 GFADRO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1CCC(=O)Nc1ccc(Br)cc1F ZINC000103284494 655070558 /nfs/dbraw/zinc/07/05/58/655070558.db2.gz YGOUTFGOMLDPSR-MNOVXSKESA-N 1 0 386.265 2.503 20 0 GFADRO CC[NH+](CC)CCSCC(=O)N[C@H](CO)c1ccc(Br)cc1 ZINC000271329318 655076229 /nfs/dbraw/zinc/07/62/29/655076229.db2.gz QCEPZQFHMKJWCZ-OAHLLOKOSA-N 1 0 389.359 2.674 20 0 GFADRO O=C(Cn1cc(Br)cn1)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000271387012 655079198 /nfs/dbraw/zinc/07/91/98/655079198.db2.gz IFXWYSAKUQEBAU-UHFFFAOYSA-N 1 0 377.286 2.923 20 0 GFADRO CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H](O)COc1cccc(Cl)c1Cl ZINC000104148843 655079288 /nfs/dbraw/zinc/07/92/88/655079288.db2.gz FTOULAVOOQZVTC-GXTWGEPZSA-N 1 0 375.296 2.724 20 0 GFADRO COc1cc([C@H](C)[NH2+]CCOCCS(C)(=O)=O)ccc1SC(F)F ZINC000271568098 655086020 /nfs/dbraw/zinc/08/60/20/655086020.db2.gz YVHFGOLOFLEDRL-NSHDSACASA-N 1 0 383.482 2.722 20 0 GFADRO CS(=O)(=O)CCOCC[NH2+][C@@H]1CCc2c1cc(Br)cc2Cl ZINC000271576500 655086284 /nfs/dbraw/zinc/08/62/84/655086284.db2.gz ZYYTVMCXMRGDJF-CQSZACIVSA-N 1 0 396.734 2.741 20 0 GFADRO C[C@@H](CNC(=O)N[C@H]1CCN(c2ccc(Br)cc2)C1)[N@H+](C)C1CC1 ZINC000105243458 655089744 /nfs/dbraw/zinc/08/97/44/655089744.db2.gz PZFDCBUSWBPCMF-ZFWWWQNUSA-N 1 0 395.345 2.810 20 0 GFADRO C[NH+]1CCC(CNC(=O)N[C@@H]2CCN(c3ccc(Br)cc3)C2)CC1 ZINC000105243465 655089797 /nfs/dbraw/zinc/08/97/97/655089797.db2.gz GQIUQJZZSLRSEX-MRXNPFEDSA-N 1 0 395.345 2.669 20 0 GFADRO CCn1c(SCC(=O)N2CCC[C@H]([NH+](C)C)C2)nnc1-c1cccs1 ZINC000105325239 655090748 /nfs/dbraw/zinc/09/07/48/655090748.db2.gz LZFNNEYVJNEVGI-ZDUSSCGKSA-N 1 0 379.555 2.671 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)c2cc(=O)[nH]c3ccc(Br)cc32)C1 ZINC000156368374 655092317 /nfs/dbraw/zinc/09/23/17/655092317.db2.gz NCUOYAJESZNMRV-WDEREUQCSA-N 1 0 378.270 2.902 20 0 GFADRO COC(=O)c1sccc1NC(=O)C[NH2+][C@H](C)c1ccc([S@](C)=O)cc1 ZINC000271793360 655094922 /nfs/dbraw/zinc/09/49/22/655094922.db2.gz JPFKPTRELZLSDC-NDHGSNPTSA-N 1 0 380.491 2.561 20 0 GFADRO CC[C@@H]1CN([C@@H](C)C(=O)Nc2ccc(Br)cc2)CC[N@@H+]1C[C@@H](C)O ZINC000106104363 655102786 /nfs/dbraw/zinc/10/27/86/655102786.db2.gz SXLVTNJWYDTTMV-JKIFEVAISA-N 1 0 398.345 2.553 20 0 GFADRO CCOc1cc(Br)c(CC(=O)N2CC[C@@H]([C@H](C)[NH3+])C2)cc1OCC ZINC000272217266 655106029 /nfs/dbraw/zinc/10/60/29/655106029.db2.gz IILVTUYWFOHSFF-QWHCGFSZSA-N 1 0 399.329 2.985 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000272240002 655106548 /nfs/dbraw/zinc/10/65/48/655106548.db2.gz KQPZQERISWZTRQ-RRFJBIMHSA-N 1 0 384.567 2.547 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)CCc2nc(-c3cc(Br)cs3)no2)C1 ZINC000272305599 655108560 /nfs/dbraw/zinc/10/85/60/655108560.db2.gz RDWNEBRMGWLEHH-VHSXEESVSA-N 1 0 399.314 2.689 20 0 GFADRO COc1ccc(Br)cc1CNC(=O)N1CC[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000272322735 655109002 /nfs/dbraw/zinc/10/90/02/655109002.db2.gz IWJFMZGCRDNKGY-WFASDCNBSA-N 1 0 382.302 2.693 20 0 GFADRO CN1CC[N@H+](C)C[C@H]1CN[C@H](c1ccco1)c1ccc(Br)cc1 ZINC000272341619 655109567 /nfs/dbraw/zinc/10/95/67/655109567.db2.gz BTMPTXSCUFYAHE-AEFFLSMTSA-N 1 0 378.314 2.967 20 0 GFADRO COc1ccc(S(=O)(=O)N2CC[C@H]3CC[N@H+](C)C[C@H]32)c(Cl)c1Cl ZINC000272374068 655110353 /nfs/dbraw/zinc/11/03/53/655110353.db2.gz GYCGLQDSKRBGCR-GHMZBOCLSA-N 1 0 379.309 2.717 20 0 GFADRO C[C@H](CNC(=O)c1cnn(-c2cccc(Br)c2)c1)[N@H+](C)C1CC1 ZINC000106769837 655110996 /nfs/dbraw/zinc/11/09/96/655110996.db2.gz HPJKZXCTZVKXLG-GFCCVEGCSA-N 1 0 377.286 2.847 20 0 GFADRO CC[NH+]1CCN([C@H]2CCN(C(=O)/C=C/c3ccc(Br)s3)C2)CC1 ZINC000106799338 655111610 /nfs/dbraw/zinc/11/16/10/655111610.db2.gz DTMSZOVTXKXTSA-YVZNUBBCSA-N 1 0 398.370 2.762 20 0 GFADRO COC(=O)c1cc(NC(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)ccc1Br ZINC000272436933 655112643 /nfs/dbraw/zinc/11/26/43/655112643.db2.gz OAANNCUOVRHBRS-NHYWBVRUSA-N 1 0 396.285 2.794 20 0 GFADRO Cc1ccc(C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@H]32)cc1I ZINC000272461143 655113675 /nfs/dbraw/zinc/11/36/75/655113675.db2.gz KJHBVFOEGTXYAF-SWLSCSKDSA-N 1 0 384.261 2.766 20 0 GFADRO Brc1cnn(CN2CCC[C@H](C[NH+]3CCOCC3)C2)c1C1CC1 ZINC000159374742 655113814 /nfs/dbraw/zinc/11/38/14/655113814.db2.gz YUIOSPYTTHIENM-CQSZACIVSA-N 1 0 383.334 2.525 20 0 GFADRO C[C@@H](NC(=O)Cn1cc(Br)cn1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272521044 655115517 /nfs/dbraw/zinc/11/55/17/655115517.db2.gz PXGQFKMJIMAWDH-GDBMZVCRSA-N 1 0 391.313 2.672 20 0 GFADRO C[C@@H](NC(=O)Cc1cc2c(cc1Br)OCCO2)C1=CC[N@H+](C)CC1 ZINC000272657992 655118350 /nfs/dbraw/zinc/11/83/50/655118350.db2.gz GJMNFTFCOZWZDP-GFCCVEGCSA-N 1 0 395.297 2.529 20 0 GFADRO C[C@H](NC(=O)Cc1ccccc1I)C1=CC[N@H+](C)CC1 ZINC000272747654 655120215 /nfs/dbraw/zinc/12/02/15/655120215.db2.gz NUUAPOJBZPCUHD-LBPRGKRZSA-N 1 0 384.261 2.600 20 0 GFADRO C[C@H](NC(=O)C[C@H]1Sc2ccc(Cl)cc2NC1=O)C1=CC[N@H+](C)CC1 ZINC000272949660 655126314 /nfs/dbraw/zinc/12/63/14/655126314.db2.gz MRHRSLKFPZAWJT-MEDUHNTESA-N 1 0 379.913 2.910 20 0 GFADRO COC(=O)CC[N@H+](Cn1ncc(Br)c1C1CC1)C1CCOCC1 ZINC000161719505 655128416 /nfs/dbraw/zinc/12/84/16/655128416.db2.gz XPGJBDAKWBPVDI-UHFFFAOYSA-N 1 0 386.290 2.525 20 0 GFADRO CC(C)[NH2+]C1CCN(CC(=O)N(C)Cc2cc(Br)cs2)CC1 ZINC000108371192 655131731 /nfs/dbraw/zinc/13/17/31/655131731.db2.gz ZLKHEMLQWQSRCQ-UHFFFAOYSA-N 1 0 388.375 2.931 20 0 GFADRO OC[C@H]([NH2+]C[C@@H](O)COc1ccccc1F)c1ccc(Br)cc1 ZINC000273151635 655132588 /nfs/dbraw/zinc/13/25/88/655132588.db2.gz XGCYDNPWKNOHJD-ZBFHGGJFSA-N 1 0 384.245 2.651 20 0 GFADRO C[C@H]1CCN(C(=O)c2cnn(C)c2Br)CC[N@@H+]1Cc1ccccc1 ZINC000273157998 655132834 /nfs/dbraw/zinc/13/28/34/655132834.db2.gz BFNUDFJGKHXNJI-AWEZNQCLSA-N 1 0 391.313 2.919 20 0 GFADRO CSCc1cccc(NC(=O)C(=O)NC[C@H](c2cccs2)[NH+](C)C)c1 ZINC000109407864 655146178 /nfs/dbraw/zinc/14/61/78/655146178.db2.gz MMJVODYWRBBSIR-OAHLLOKOSA-N 1 0 377.535 2.969 20 0 GFADRO CC[NH+]1CCN(CCCNC(=O)[C@H]2C[C@H]2c2cccc(Br)c2)CC1 ZINC000109570163 655148725 /nfs/dbraw/zinc/14/87/25/655148725.db2.gz GIBSZZOBJDIKTA-ROUUACIJSA-N 1 0 394.357 2.696 20 0 GFADRO C[C@H](NC(=O)c1cnn(C)c1Br)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000273605609 655150461 /nfs/dbraw/zinc/15/04/61/655150461.db2.gz KHXJZYFFVPGXCW-ZFWWWQNUSA-N 1 0 391.313 2.823 20 0 GFADRO CC(C)(C[NH2+]Cc1cccc(O)c1Br)[C@H]1COCC12OCCO2 ZINC000839172007 661074322 /nfs/dbraw/zinc/07/43/22/661074322.db2.gz AKZUVQQDHFQCNK-CQSZACIVSA-N 1 0 386.286 2.660 20 0 GFADRO CN(Cc1cc(Br)cs1)C(=O)C[N@@H+]1CCCC[C@H]1CCO ZINC000109785850 655152113 /nfs/dbraw/zinc/15/21/13/655152113.db2.gz RHBIQRSMKRMKMC-ZDUSSCGKSA-N 1 0 375.332 2.706 20 0 GFADRO COc1cc(C[NH2+]CC2CCN(S(=O)(=O)C(F)F)CC2)ccc1SC ZINC000171842259 655154453 /nfs/dbraw/zinc/15/44/53/655154453.db2.gz OQFPRGONHYNREE-UHFFFAOYSA-N 1 0 394.509 2.771 20 0 GFADRO COc1ccc(C[NH2+][C@H](CO)Cc2ccc(F)cc2)c(Br)c1O ZINC000273731241 655156304 /nfs/dbraw/zinc/15/63/04/655156304.db2.gz OBLSFQDQVVJIPB-AWEZNQCLSA-N 1 0 384.245 2.996 20 0 GFADRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)CCc2ccc(Cl)cc2Cl)C1 ZINC000110541753 655156932 /nfs/dbraw/zinc/15/69/32/655156932.db2.gz SOBHHYGVYGSVBE-AWEZNQCLSA-N 1 0 386.323 2.630 20 0 GFADRO C[NH+]1CCN([C@H]2CCCCN(C(=O)c3cc(F)ccc3Br)C2)CC1 ZINC000173273535 655166283 /nfs/dbraw/zinc/16/62/83/655166283.db2.gz UHLYMMXZCIOWDR-HNNXBMFYSA-N 1 0 398.320 2.830 20 0 GFADRO O=C1CCCN1[C@H]1CCC[N@@H+](C[C@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000111292879 655167968 /nfs/dbraw/zinc/16/79/68/655167968.db2.gz GUEXQLHNEQOQSU-GJZGRUSLSA-N 1 0 387.307 2.820 20 0 GFADRO CCC[NH+]1CCC(NS(=O)(=O)Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000111325891 655168572 /nfs/dbraw/zinc/16/85/72/655168572.db2.gz JORMXTOILDOPML-UHFFFAOYSA-N 1 0 380.432 2.879 20 0 GFADRO C[C@H](CNC(=O)[C@H](C)c1ccc(Br)s1)C[NH+]1CCN(C)CC1 ZINC000173402933 655170069 /nfs/dbraw/zinc/17/00/69/655170069.db2.gz YHENRMFRMZAPNS-CHWSQXEVSA-N 1 0 388.375 2.614 20 0 GFADRO Ic1ccccc1-c1nc([C@@H]2C[N@@H+]3CCC[C@H]3CO2)no1 ZINC000274064335 655171496 /nfs/dbraw/zinc/17/14/96/655171496.db2.gz RTVJLICJKIMZPM-GWCFXTLKSA-N 1 0 397.216 2.877 20 0 GFADRO Brc1cccc(-c2c[nH]c(C[NH2+]CCCN3CCOCC3)n2)c1 ZINC000111382647 655172145 /nfs/dbraw/zinc/17/21/45/655172145.db2.gz BWHCQIHFMHBCIV-UHFFFAOYSA-N 1 0 379.302 2.651 20 0 GFADRO CC1CC[NH+](C[C@H](O)CNC(=O)Nc2cc(Br)ccc2F)CC1 ZINC000111772551 655177193 /nfs/dbraw/zinc/17/71/93/655177193.db2.gz QBEDOGHYJFOFRH-CYBMUJFWSA-N 1 0 388.281 2.803 20 0 GFADRO COc1ccc(C[NH2+]CCc2cn3c(n2)SCC3)c(Br)c1O ZINC000274237739 655181024 /nfs/dbraw/zinc/18/10/24/655181024.db2.gz GQEYQQSEJYURAG-UHFFFAOYSA-N 1 0 384.299 2.798 20 0 GFADRO CC[NH+](CC)C[C@@H]1CCN(S(=O)(=O)c2cccc(Br)c2)C1 ZINC000173923164 655185765 /nfs/dbraw/zinc/18/57/65/655185765.db2.gz SUKLKKMIVSLSLA-ZDUSSCGKSA-N 1 0 375.332 2.802 20 0 GFADRO O=C(c1cccc(C[NH2+]Cc2cncc(Br)c2)c1)N1CCOCC1 ZINC000274374637 655186182 /nfs/dbraw/zinc/18/61/82/655186182.db2.gz ZZUYRESRCUDTBM-UHFFFAOYSA-N 1 0 390.281 2.606 20 0 GFADRO CCCC[N@H+](C)CCNC(=O)Cc1csc(NC(=O)c2cccs2)n1 ZINC000112309204 655188391 /nfs/dbraw/zinc/18/83/91/655188391.db2.gz FCTPLPVTHKBXKP-UHFFFAOYSA-N 1 0 380.539 2.848 20 0 GFADRO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)c1cnc(-c2ccsc2)s1 ZINC000112403840 655190754 /nfs/dbraw/zinc/19/07/54/655190754.db2.gz VEEYVYZQBNGVRQ-UHFFFAOYSA-N 1 0 378.567 2.970 20 0 GFADRO O=C(NCCCC[NH+]1CCOCC1)N1CCc2ccc(Br)cc21 ZINC000112439789 655191032 /nfs/dbraw/zinc/19/10/32/655191032.db2.gz YXKKXISCMLKWSR-UHFFFAOYSA-N 1 0 382.302 2.634 20 0 GFADRO CC(C)Oc1nn(CN2CCC(OCC[NH+]3CCCC3)CC2)c(=S)s1 ZINC000174102570 655192339 /nfs/dbraw/zinc/19/23/39/655192339.db2.gz OKHOVYUCJQXRLO-UHFFFAOYSA-N 1 0 386.587 2.996 20 0 GFADRO CC[NH+](CC)C[C@@H]1CCN(Cc2nnnn2-c2ccccc2Br)C1 ZINC000174224594 655193898 /nfs/dbraw/zinc/19/38/98/655193898.db2.gz QVYSBNYQPYHSLQ-AWEZNQCLSA-N 1 0 393.333 2.589 20 0 GFADRO CN(CC[NH+]1CCCC1)C(=O)N[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000112748652 655197172 /nfs/dbraw/zinc/19/71/72/655197172.db2.gz MWUROWVZMAWFKO-INIZCTEOSA-N 1 0 395.345 2.765 20 0 GFADRO CC[NH+]1CCN([C@H](C)CNC(=O)c2[nH]c3ccccc3c2Br)CC1 ZINC000112917373 655199404 /nfs/dbraw/zinc/19/94/04/655199404.db2.gz JNFODSNSZGTBMM-CYBMUJFWSA-N 1 0 393.329 2.686 20 0 GFADRO CC[NH+]1CCN([C@@H](C)CNC(=O)c2cc3cc(Br)ccc3o2)CC1 ZINC000112917678 655199740 /nfs/dbraw/zinc/19/97/40/655199740.db2.gz HPCZAJMZAOQGOI-ZDUSSCGKSA-N 1 0 394.313 2.951 20 0 GFADRO O=C1CCCN1[C@@H]1CCC[N@@H+](C[C@@H](O)c2ccccc2Br)CC1 ZINC000839665554 661099055 /nfs/dbraw/zinc/09/90/55/661099055.db2.gz JCOMVUSXQGOYHP-RHSMWYFYSA-N 1 0 381.314 2.959 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)c2ccc(-c3ccc(Br)cc3)s2)CCO1 ZINC000274776204 655200996 /nfs/dbraw/zinc/20/09/96/655200996.db2.gz KMLQEOBCQBBIHH-CYBMUJFWSA-N 1 0 381.295 2.977 20 0 GFADRO O=C1CCCN1[C@@H]1CCC[N@@H+](C[C@H](O)c2cccc(Br)c2)CC1 ZINC000839666622 661099280 /nfs/dbraw/zinc/09/92/80/661099280.db2.gz PGZBQDDAEABNKK-SJORKVTESA-N 1 0 381.314 2.959 20 0 GFADRO Cc1cc(Br)c(F)cc1NC(=O)N1CCC([N@H+](C)CCO)CC1 ZINC000274788336 655201764 /nfs/dbraw/zinc/20/17/64/655201764.db2.gz HKHCMCLOICAUCH-UHFFFAOYSA-N 1 0 388.281 2.817 20 0 GFADRO Cc1nn(C)cc1C(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000113056442 655202214 /nfs/dbraw/zinc/20/22/14/655202214.db2.gz XTLMCAIOYWLITI-UHFFFAOYSA-N 1 0 379.302 2.695 20 0 GFADRO C[NH+](C)CCNC(=O)c1cccc(CNc2ccncc2Br)c1 ZINC000274832510 655203716 /nfs/dbraw/zinc/20/37/16/655203716.db2.gz SUBMRAIUDIXXFE-UHFFFAOYSA-N 1 0 377.286 2.748 20 0 GFADRO CN(C)c1ncc(Br)cc1C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000113185457 655204527 /nfs/dbraw/zinc/20/45/27/655204527.db2.gz JXYUTIWGKUCXCP-UHFFFAOYSA-N 1 0 395.345 2.858 20 0 GFADRO O=C(CC[N@H+]1CC[C@@](O)(C(F)(F)F)C1)Nc1ccc(Br)cc1F ZINC000174749407 655207414 /nfs/dbraw/zinc/20/74/14/655207414.db2.gz ROTHTIGISAHQST-ZDUSSCGKSA-N 1 0 399.182 2.916 20 0 GFADRO C[NH+]1CCC(C(=O)NC[C@@H]2CCN(c3cccc(Br)c3)C2)CC1 ZINC000174759304 655207964 /nfs/dbraw/zinc/20/79/64/655207964.db2.gz HZTJDKYZUZSWQJ-AWEZNQCLSA-N 1 0 380.330 2.733 20 0 GFADRO CCOC(=O)N1CCC([NH2+]Cc2cc(OC)c(O)cc2Br)CC1 ZINC000113318584 655207999 /nfs/dbraw/zinc/20/79/99/655207999.db2.gz QOPQASCVEQRBOZ-UHFFFAOYSA-N 1 0 387.274 2.874 20 0 GFADRO C[C@@](O)(CNC(=O)NCC1CC[NH+](Cc2cccs2)CC1)C(F)(F)F ZINC000274964733 655209220 /nfs/dbraw/zinc/20/92/20/655209220.db2.gz RXHKOMOVRWUDIJ-OAHLLOKOSA-N 1 0 379.448 2.573 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@H](NS(=O)(=O)c2cc(Br)cnc2Cl)C1 ZINC000175085372 655213754 /nfs/dbraw/zinc/21/37/54/655213754.db2.gz SFRLJHPZMFKEOP-WDEREUQCSA-N 1 0 396.738 2.649 20 0 GFADRO Cc1nc(C(F)(F)F)c(C[N@@H+]2CC[C@@H](C(=O)NCC(F)(F)F)C2)s1 ZINC000275149000 655219658 /nfs/dbraw/zinc/21/96/58/655219658.db2.gz XHXSOSQKGHZOSK-MRVPVSSYSA-N 1 0 375.338 2.971 20 0 GFADRO CC[N@H+](C)C[C@H]1CCN(S(=O)(=O)c2cccc(Br)c2C)C1 ZINC000175316575 655220415 /nfs/dbraw/zinc/22/04/15/655220415.db2.gz BMQIHCOIAXTDRV-CYBMUJFWSA-N 1 0 375.332 2.720 20 0 GFADRO C[C@H](CNC(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1)Oc1ccccc1Br ZINC000175628038 655224334 /nfs/dbraw/zinc/22/43/34/655224334.db2.gz ZGCKJOUHGFXXNW-KGLIPLIRSA-N 1 0 396.329 3.000 20 0 GFADRO CC[N@H+](C)C[C@@H]1CCN(c2ncc(Cn3cc(Br)cn3)s2)C1 ZINC000275343604 655230944 /nfs/dbraw/zinc/23/09/44/655230944.db2.gz IADNJJPCSBCARK-LBPRGKRZSA-N 1 0 384.347 2.928 20 0 GFADRO CCC[NH+]1CCC(N(C)C(=O)c2cc(I)c[nH]2)CC1 ZINC000115342436 655235663 /nfs/dbraw/zinc/23/56/63/655235663.db2.gz RUZYLVOCJXFQTL-UHFFFAOYSA-N 1 0 375.254 2.566 20 0 GFADRO C[NH+](C)CCN(Cc1ccccc1)C(=O)c1cc(I)c[nH]1 ZINC000115348871 655235883 /nfs/dbraw/zinc/23/58/83/655235883.db2.gz FUIYGGAFWJCDSP-UHFFFAOYSA-N 1 0 397.260 2.823 20 0 GFADRO O=C(NC[C@H](O)c1ccc(Cl)c(F)c1)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000839716476 661102102 /nfs/dbraw/zinc/10/21/02/661102102.db2.gz PFTMBCZAVBEJDB-YOEHRIQHSA-N 1 0 386.920 2.846 20 0 GFADRO Cc1ccc(NC(=O)C(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)cc1Br ZINC000275893042 655254896 /nfs/dbraw/zinc/25/48/96/655254896.db2.gz QAYBFYKZCFFKAW-ZDUSSCGKSA-N 1 0 396.329 2.885 20 0 GFADRO COc1cc(C[NH2+]CCC[S@](C)=O)cc(Br)c1OC(F)F ZINC000116918890 655256785 /nfs/dbraw/zinc/25/67/85/655256785.db2.gz IASJUJOKJWROQB-OAQYLSRUSA-N 1 0 386.258 2.917 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C)C[C@H]1C ZINC000276098410 655262230 /nfs/dbraw/zinc/26/22/30/655262230.db2.gz QJAKFYBSHZTZPJ-MLGOLLRUSA-N 1 0 396.329 2.749 20 0 GFADRO COc1c(Cl)cc(NC(=O)C(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)cc1Cl ZINC000276158704 655265264 /nfs/dbraw/zinc/26/52/64/655265264.db2.gz RQOQBJLGHIGXPS-JTQLQIEISA-N 1 0 386.279 2.707 20 0 GFADRO C[C@H]1C[C@@H](NC(=O)c2cnn(-c3cccc(Br)c3)c2)C[N@@H+]1C1CC1 ZINC000177049003 655266136 /nfs/dbraw/zinc/26/61/36/655266136.db2.gz DHGQAXHTMFBSTQ-SWLSCSKDSA-N 1 0 389.297 2.990 20 0 GFADRO Cc1cccc(C(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c1I ZINC000177090922 655268017 /nfs/dbraw/zinc/26/80/17/655268017.db2.gz RBVHGMHNUKTZLB-VXGBXAGGSA-N 1 0 384.261 2.955 20 0 GFADRO C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000177132651 655269825 /nfs/dbraw/zinc/26/98/25/655269825.db2.gz YCWXJERFHFVPTB-ZDUSSCGKSA-N 1 0 388.339 2.903 20 0 GFADRO C[C@@H]([NH2+]C[C@@H](O)c1ccc(Cl)cc1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000177195005 655270308 /nfs/dbraw/zinc/27/03/08/655270308.db2.gz ZBQMTBNSXUFAGL-FZKQIMNGSA-N 1 0 382.913 2.975 20 0 GFADRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)Nc1ccc(F)cc1Br ZINC000118126760 655272440 /nfs/dbraw/zinc/27/24/40/655272440.db2.gz PTFXOZGNCQKVNQ-GFCCVEGCSA-N 1 0 386.265 2.517 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000118129632 655272470 /nfs/dbraw/zinc/27/24/70/655272470.db2.gz NYELWNLBRCPIEQ-LBPRGKRZSA-N 1 0 382.302 2.603 20 0 GFADRO C[C@H](CNC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1Cl)[N@H+](C)C1CC1 ZINC000118130041 655272527 /nfs/dbraw/zinc/27/25/27/655272527.db2.gz KCXYQLWWQDTRKX-SECBINFHSA-N 1 0 377.794 2.896 20 0 GFADRO C[C@H]([NH2+]C1(CNC(=O)[C@@H]2CSCCS2)CCOCC1)c1ccccc1 ZINC000177287104 655273374 /nfs/dbraw/zinc/27/33/74/655273374.db2.gz MWGRKLDAXPGRGS-RDJZCZTQSA-N 1 0 380.579 2.851 20 0 GFADRO O=C(NC1CC[NH+](C2CCCC2)CC1)c1cc(I)c[nH]1 ZINC000177423846 655276180 /nfs/dbraw/zinc/27/61/80/655276180.db2.gz PUNNHDLVNRBXHT-UHFFFAOYSA-N 1 0 387.265 2.756 20 0 GFADRO Cc1csc(C(=O)N[C@H]2C[N@H+](C3CC3)C[C@@H]2C)c1I ZINC000276523173 655278202 /nfs/dbraw/zinc/27/82/02/655278202.db2.gz MKWLHFSEXAOWLW-KWQFWETISA-N 1 0 390.290 2.874 20 0 GFADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)Nc2ccccc2Br)CC1 ZINC000118786575 655282125 /nfs/dbraw/zinc/28/21/25/655282125.db2.gz MEFSRBKMDZDAHX-AWEZNQCLSA-N 1 0 383.334 2.844 20 0 GFADRO CS[C@H](CO)[C@@H](C)NC(=O)NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000118963214 655284583 /nfs/dbraw/zinc/28/45/83/655284583.db2.gz QKFKUAFTXOGGAY-HLLBOEOZSA-N 1 0 385.599 2.933 20 0 GFADRO CCCS(=O)(=O)N1CCC([NH2+]Cc2nc3cc(Cl)ccc3n2C)CC1 ZINC000118981265 655285568 /nfs/dbraw/zinc/28/55/68/655285568.db2.gz GEUGBYBICYNDQY-UHFFFAOYSA-N 1 0 384.933 2.521 20 0 GFADRO O=C(CCN1CC[NH+](C2CCOCC2)CC1)Nc1ccccc1Br ZINC000177752331 655287570 /nfs/dbraw/zinc/28/75/70/655287570.db2.gz QZDWLAPLCSCDPT-UHFFFAOYSA-N 1 0 396.329 2.574 20 0 GFADRO O=C(CC[N@@H+]1CCc2cc[nH]c(=O)c2C1)Nc1ccccc1Br ZINC000276924573 655293542 /nfs/dbraw/zinc/29/35/42/655293542.db2.gz LIRYDSOADDWBAM-UHFFFAOYSA-N 1 0 376.254 2.937 20 0 GFADRO CCC[C@H]1CN(C(=O)Nc2ccc(Br)nc2)CC[N@@H+]1CCOC ZINC000119229001 655294251 /nfs/dbraw/zinc/29/42/51/655294251.db2.gz ABEQXGPMMZUSBN-AWEZNQCLSA-N 1 0 385.306 2.809 20 0 GFADRO C[C@@H]([NH3+])[C@H](C)C(=O)N1CCC(C(=O)Nc2cccc(Br)c2)CC1 ZINC000276950875 655294712 /nfs/dbraw/zinc/29/47/12/655294712.db2.gz DSCORFTZJZVEPV-NWDGAFQWSA-N 1 0 382.302 2.610 20 0 GFADRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)Cc2cccc(I)c2)C1 ZINC000119283328 655296726 /nfs/dbraw/zinc/29/67/26/655296726.db2.gz SAVWTHXBJIAHAZ-ZBFHGGJFSA-N 1 0 398.288 2.776 20 0 GFADRO O=C(N1CC[NH+](C[C@@H]2CCOC2)CC1)C1(c2cccc(Br)c2)CC1 ZINC000178081508 655297072 /nfs/dbraw/zinc/29/70/72/655297072.db2.gz MYXRSHZKSSKFIB-HNNXBMFYSA-N 1 0 393.325 2.661 20 0 GFADRO Cc1cc(S(=O)(=O)N2CCC[C@@H]([NH+](C)C)CC2)sc1Br ZINC000277025911 655298912 /nfs/dbraw/zinc/29/89/12/655298912.db2.gz NMPZOYMDVSXGMW-LLVKDONJSA-N 1 0 381.361 2.924 20 0 GFADRO O=C(Nc1cccc(C(=O)N[C@H]2CCC[NH2+]C2)c1)c1ccc(Br)o1 ZINC000178390346 655302455 /nfs/dbraw/zinc/30/24/55/655302455.db2.gz HZZVMTGTPQJAMK-ZDUSSCGKSA-N 1 0 392.253 2.776 20 0 GFADRO Cc1cccc(I)c1C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000119394783 655302505 /nfs/dbraw/zinc/30/25/05/655302505.db2.gz NZFQRZTXFBOTHF-CYBMUJFWSA-N 1 0 384.261 2.910 20 0 GFADRO COc1cc([C@@H](C)NCCC[NH+]2CCCC2)ccc1S(=O)(=O)C(F)F ZINC000178413478 655303266 /nfs/dbraw/zinc/30/32/66/655303266.db2.gz DYCSSOWOZQYPTD-CYBMUJFWSA-N 1 0 376.469 2.828 20 0 GFADRO [NH3+]C[C@@H]1CCN(C(=O)c2ccc(NC(=O)CSc3cccs3)cc2)C1 ZINC000178532671 655304173 /nfs/dbraw/zinc/30/41/73/655304173.db2.gz MEUHMBFLABYYSF-ZDUSSCGKSA-N 1 0 375.519 2.900 20 0 GFADRO Cc1csc(=O)n1CC[NH2+][C@@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000277128204 655304774 /nfs/dbraw/zinc/30/47/74/655304774.db2.gz YHUGTGVQPDTAPW-ZBFHGGJFSA-N 1 0 383.876 2.572 20 0 GFADRO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CCCN1CCOC1=O ZINC000178591388 655305682 /nfs/dbraw/zinc/30/56/82/655305682.db2.gz OSLWHMVXHGJPHV-GFCCVEGCSA-N 1 0 384.274 2.598 20 0 GFADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2cc(F)c(F)cc2Br)C1 ZINC000178748280 655309018 /nfs/dbraw/zinc/30/90/18/655309018.db2.gz IBCGUIPTFIVMEQ-NSHDSACASA-N 1 0 391.256 2.814 20 0 GFADRO COCC[N@H+]1[C@H](C)CN(C(=O)NCc2ccc(Br)s2)C[C@@H]1C ZINC000178971633 655310870 /nfs/dbraw/zinc/31/08/70/655310870.db2.gz HTXCVRMVLXUETB-TXEJJXNPSA-N 1 0 390.347 2.761 20 0 GFADRO COc1ccc(Br)c(C(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)c1 ZINC000277366590 655315214 /nfs/dbraw/zinc/31/52/14/655315214.db2.gz CAJFLYWUPPVMBV-CYBMUJFWSA-N 1 0 385.302 2.688 20 0 GFADRO CC[N@H+](CCC1CCN(C(=O)OC(C)(C)C)CC1)[C@H](C)CS(C)(=O)=O ZINC000179656832 655315669 /nfs/dbraw/zinc/31/56/69/655315669.db2.gz NTZHWHRNKWOITD-OAHLLOKOSA-N 1 0 376.563 2.779 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(Br)cc2)[C@H](C)C1 ZINC000119828982 655317192 /nfs/dbraw/zinc/31/71/92/655317192.db2.gz KATKNQZISYVWOJ-DOMZBBRYSA-N 1 0 382.302 2.576 20 0 GFADRO CCS(=O)(=O)c1ccc(CNC(=O)NCCC[NH2+]C2CCCCC2)s1 ZINC000280321563 655328997 /nfs/dbraw/zinc/32/89/97/655328997.db2.gz IQWVVBKJNDFBAP-UHFFFAOYSA-N 1 0 387.571 2.653 20 0 GFADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)Cc1csc2ccc(Br)cc12 ZINC000280968841 655331090 /nfs/dbraw/zinc/33/10/90/655331090.db2.gz RMKWUZGDDCYASR-CQSZACIVSA-N 1 0 396.354 2.568 20 0 GFADRO O=C(Nc1cccnc1Br)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000120525224 655338143 /nfs/dbraw/zinc/33/81/43/655338143.db2.gz HSMGDQHEGSXPEZ-LSDHHAIUSA-N 1 0 397.317 2.734 20 0 GFADRO C[NH+](C)CC1(NC(=O)CSc2nncn2-c2cccc(Cl)c2)CCC1 ZINC000281868761 655339465 /nfs/dbraw/zinc/33/94/65/655339465.db2.gz ZFPDXAZQUAIQPN-UHFFFAOYSA-N 1 0 379.917 2.613 20 0 GFADRO Cc1ccc(NC(=O)C(=O)N2CCC([NH+]3CCCC3)CC2)cc1Br ZINC000120586227 655339841 /nfs/dbraw/zinc/33/98/41/655339841.db2.gz RKSYQSUHCPISJG-UHFFFAOYSA-N 1 0 394.313 2.783 20 0 GFADRO Cc1nccn1CCCC[N@@H+](C)CC(=O)Nc1ccc(Br)cn1 ZINC000120681081 655342195 /nfs/dbraw/zinc/34/21/95/655342195.db2.gz KSDUWRDNQJACCO-UHFFFAOYSA-N 1 0 380.290 2.700 20 0 GFADRO Cc1cc(NC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)cnc1Br ZINC000182450273 655344155 /nfs/dbraw/zinc/34/41/55/655344155.db2.gz FIPIDJAWIDEMTI-AWEZNQCLSA-N 1 0 385.306 2.631 20 0 GFADRO Cc1cccc(NC(=O)NC[C@@H](O)C[NH+]2CCC(C)CC2)c1Br ZINC000120854626 655345575 /nfs/dbraw/zinc/34/55/75/655345575.db2.gz ZDKBMYAUQGDFDI-CQSZACIVSA-N 1 0 384.318 2.972 20 0 GFADRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@@H](CO)c2cccc(Br)c2)c1 ZINC000183890968 655354273 /nfs/dbraw/zinc/35/42/73/655354273.db2.gz IMEVPKNGLTXEQA-JKSUJKDBSA-N 1 0 381.226 2.714 20 0 GFADRO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)Nc1ccc(Br)c(C2CC2)n1 ZINC000293002083 655358188 /nfs/dbraw/zinc/35/81/88/655358188.db2.gz JQBGQHRLVJAPIX-LLVKDONJSA-N 1 0 397.317 2.507 20 0 GFADRO C[NH+]1CCN(CCC(C)(C)NS(=O)(=O)/C=C/c2cccc(Cl)c2)CC1 ZINC000185431613 655364316 /nfs/dbraw/zinc/36/43/16/655364316.db2.gz SAGHYKUBXILUCX-VGOFMYFVSA-N 1 0 385.961 2.646 20 0 GFADRO C[C@H]([NH2+]Cc1cccc(OCC(N)=O)c1)c1cc(Br)ccc1O ZINC000185577783 655365078 /nfs/dbraw/zinc/36/50/78/655365078.db2.gz PYYRCBGMMFGUEO-NSHDSACASA-N 1 0 379.254 2.870 20 0 GFADRO CCS(=O)(=O)c1c(Cl)cccc1CN1C[C@@H](C)N(CCOC)[C@@H](C)C1 ZINC000186999396 655372425 /nfs/dbraw/zinc/37/24/25/655372425.db2.gz MSAZIHMEWMVPFK-GASCZTMLSA-N 1 0 388.961 2.675 20 0 GFADRO C[N@@H+]1CC[C@]2(CCN(CN3CC[C@@H](c4cccc(Br)c4)C3=O)C2)C1 ZINC000840075279 661129659 /nfs/dbraw/zinc/12/96/59/661129659.db2.gz LIMZYEBSMJCJHK-HKUYNNGSSA-N 1 0 392.341 2.750 20 0 GFADRO C[C@@H](CCNC(=O)C(=O)Nc1cc(Cl)c(N)c(Cl)c1)[NH+]1CCCCC1 ZINC000298604402 655373446 /nfs/dbraw/zinc/37/34/46/655373446.db2.gz LNEZHKHTBQXMTP-NSHDSACASA-N 1 0 387.311 2.895 20 0 GFADRO COCC[N@H+]1[C@H](C)CN(C[C@H](O)c2ccc(F)c(Br)c2)C[C@@H]1C ZINC000187320269 655373562 /nfs/dbraw/zinc/37/35/62/655373562.db2.gz KNWLMWBCXFBZPV-AHIWAGSCSA-N 1 0 389.309 2.663 20 0 GFADRO CC[NH+]1CCC(CCNC(=O)C(=O)Nc2cc(Cl)c(N)c(Cl)c2)CC1 ZINC000299383399 655375410 /nfs/dbraw/zinc/37/54/10/655375410.db2.gz SUKVWMULFYJAGA-UHFFFAOYSA-N 1 0 387.311 2.752 20 0 GFADRO CCOC(=O)N1CCC([NH2+]C[C@@H](O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000327081420 655385650 /nfs/dbraw/zinc/38/56/50/655385650.db2.gz GIJUNSHEILVAPI-CYBMUJFWSA-N 1 0 391.295 2.944 20 0 GFADRO CC[C@]1(c2ccc(Cl)cc2)NC(=O)N(C[C@@]2([NH+](C)C)CCSC2)C1=O ZINC000348472824 655388390 /nfs/dbraw/zinc/38/83/90/655388390.db2.gz DZMJSZIWVQFGDF-ZWKOTPCHSA-N 1 0 381.929 2.934 20 0 GFADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1[nH]c2ccccc2c1Br ZINC000365307992 655392910 /nfs/dbraw/zinc/39/29/10/655392910.db2.gz BKZOSUGHVWSFPG-VXGBXAGGSA-N 1 0 378.270 2.523 20 0 GFADRO O=c1[nH]c(CN2CC[NH+]([C@@H]3CCSC3)CC2)nc2sc3c(c21)CCC3 ZINC000365857601 655395618 /nfs/dbraw/zinc/39/56/18/655395618.db2.gz AVBOCRUOJVDPBL-GFCCVEGCSA-N 1 0 376.551 2.509 20 0 GFADRO C[N@@H+]1CCN(CCNC(=O)c2occc2Br)[C@H](c2ccccc2)C1 ZINC000365922322 655396882 /nfs/dbraw/zinc/39/68/82/655396882.db2.gz QRFAAHUJVIPZNL-INIZCTEOSA-N 1 0 392.297 2.761 20 0 GFADRO Cc1ccc(Br)nc1C(=O)N(CC[NH+](C)C)Cc1ccccn1 ZINC000191336949 655397901 /nfs/dbraw/zinc/39/79/01/655397901.db2.gz JKHBKGCKRPUNHC-UHFFFAOYSA-N 1 0 377.286 2.752 20 0 GFADRO COC[C@]1(C)CC[N@H+](Cn2ncc3c2ccc(Br)c3C(=O)OC)C1 ZINC000840106350 661133689 /nfs/dbraw/zinc/13/36/89/661133689.db2.gz UHIUTGPXKVBUML-QGZVFWFLSA-N 1 0 396.285 2.901 20 0 GFADRO CN1C(=O)C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000366168695 655399404 /nfs/dbraw/zinc/39/94/04/655399404.db2.gz UPEVPXMJGLJKDG-WBVHZDCISA-N 1 0 384.307 2.723 20 0 GFADRO CCc1ccc([C@H](CNC(=O)c2cc(Br)nn2C)[NH+](C)C)cc1 ZINC000191885762 655401180 /nfs/dbraw/zinc/40/11/80/655401180.db2.gz JXEGHKIFMAPLFT-HNNXBMFYSA-N 1 0 379.302 2.778 20 0 GFADRO C[NH2+]CCNC(=O)N1CCC[C@@H]1c1nc(-c2ccccc2Br)no1 ZINC000418322680 655405470 /nfs/dbraw/zinc/40/54/70/655405470.db2.gz DUMZQIODTUDNBT-CYBMUJFWSA-N 1 0 394.273 2.565 20 0 GFADRO CCN(CCOc1ccc(Br)cc1)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000418341123 655405581 /nfs/dbraw/zinc/40/55/81/655405581.db2.gz ONGMGYMKZDVNFM-AWEZNQCLSA-N 1 0 384.318 2.859 20 0 GFADRO O=C(NCC[C@H]1CC[NH2+]C1)N[C@@H](CO)c1ccc(Cl)cc1C(F)(F)F ZINC000418331214 655405647 /nfs/dbraw/zinc/40/56/47/655405647.db2.gz DKFHZJJQAQHJBN-YGRLFVJLSA-N 1 0 379.810 2.691 20 0 GFADRO O=C(NCC[C@H]1CCC[NH2+]C1)N1CCN(c2cccc(Br)c2)CC1 ZINC000418342591 655405779 /nfs/dbraw/zinc/40/57/79/655405779.db2.gz IWKKFCRBWSWZKX-OAHLLOKOSA-N 1 0 395.345 2.670 20 0 GFADRO O=S(=O)(c1cccc(Cl)c1Br)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000420475295 655407518 /nfs/dbraw/zinc/40/75/18/655407518.db2.gz MHYGDRDFSGAZBW-ZDUSSCGKSA-N 1 0 379.707 2.619 20 0 GFADRO O=C(c1ccc(I)c(Cl)c1)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000424023912 655407903 /nfs/dbraw/zinc/40/79/03/655407903.db2.gz GWLAUQQOUGOUKW-AWEZNQCLSA-N 1 0 390.652 2.913 20 0 GFADRO [NH3+][C@H]1CCCN(S(=O)(=O)c2cc(C(F)(F)F)ccc2Br)C1 ZINC000193223687 655408932 /nfs/dbraw/zinc/40/89/32/655408932.db2.gz XIHWFHGXANUMCE-VIFPVBQESA-N 1 0 387.221 2.580 20 0 GFADRO C[NH2+]C[C@H]1CCN(S(=O)(=O)c2ccc3cc(Br)ccc3c2)C1 ZINC000193267471 655409020 /nfs/dbraw/zinc/40/90/20/655409020.db2.gz DGOTZFOSTHODPN-GFCCVEGCSA-N 1 0 383.311 2.832 20 0 GFADRO CC[C@H](Cc1ccccc1Br)NC(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC000446273749 655409836 /nfs/dbraw/zinc/40/98/36/655409836.db2.gz CJOIZHFJEXDFHB-GFCCVEGCSA-N 1 0 377.286 2.569 20 0 GFADRO Cc1ccc(F)c(Br)c1NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000453713416 655412252 /nfs/dbraw/zinc/41/22/52/655412252.db2.gz OEVZCQPHGKGYEJ-GFCCVEGCSA-N 1 0 398.276 2.530 20 0 GFADRO C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)Nc2cc(Cl)cc(Br)c2)C1 ZINC000453722514 655412484 /nfs/dbraw/zinc/41/24/84/655412484.db2.gz NKDCVFFMYRZHTP-CYBMUJFWSA-N 1 0 388.693 2.594 20 0 GFADRO CC[N@H+](C)C[C@H]1CCN(S(=O)(=O)c2ccc(OCC(F)(F)F)cc2)C1 ZINC000462665555 655413828 /nfs/dbraw/zinc/41/38/28/655413828.db2.gz XFTQOHKMKXRWLZ-CYBMUJFWSA-N 1 0 380.432 2.590 20 0 GFADRO C[N@H+](CCNC(=O)N[C@H](CO)c1ccc(Cl)cc1C(F)(F)F)C1CC1 ZINC000474373939 655415213 /nfs/dbraw/zinc/41/52/13/655415213.db2.gz OOEGEUJWWMBXSO-CQSZACIVSA-N 1 0 379.810 2.786 20 0 GFADRO C[C@@H](CNC(=O)c1cnc(Sc2nccn2C)c(Cl)c1)[NH+]1CCCC1 ZINC000560656605 655423559 /nfs/dbraw/zinc/42/35/59/655423559.db2.gz BBTFXZKXNAXLLJ-LBPRGKRZSA-N 1 0 379.917 2.834 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(Cn3[nH]c(-c4ccccc4Br)nc3=S)C[C@@H]21 ZINC000840132120 661138265 /nfs/dbraw/zinc/13/82/65/661138265.db2.gz IEXVQMDURKUZJU-RISCZKNCSA-N 1 0 394.342 2.964 20 0 GFADRO O=C(Nc1cccc(C(=O)OC[C@H]2CCC[NH2+]2)c1)c1cc(Br)c[nH]1 ZINC000236644484 655424792 /nfs/dbraw/zinc/42/47/92/655424792.db2.gz FPVBRXJHVWKYEB-CQSZACIVSA-N 1 0 392.253 2.938 20 0 GFADRO CC(C)(CO)[C@H]([NH2+]CCOc1cccc(S(C)(=O)=O)c1)c1cccs1 ZINC000567199848 655425078 /nfs/dbraw/zinc/42/50/78/655425078.db2.gz FPYDQPFWQDBXTO-QGZVFWFLSA-N 1 0 383.535 2.880 20 0 GFADRO CC[N@H+](C)[C@H](C(=O)N(C)CCn1cc(Br)cn1)c1ccccc1 ZINC000574197612 655426238 /nfs/dbraw/zinc/42/62/38/655426238.db2.gz PCUCVLDFWFGFJG-INIZCTEOSA-N 1 0 379.302 2.797 20 0 GFADRO [NH3+]C1CCC(NC(=O)CCc2nc(-c3cc(Br)cs3)no2)CC1 ZINC000237792559 655426597 /nfs/dbraw/zinc/42/65/97/655426597.db2.gz FEYJCCDLERQTQD-UHFFFAOYSA-N 1 0 399.314 2.879 20 0 GFADRO [NH3+]CCCCCC(=O)N1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000237955344 655426861 /nfs/dbraw/zinc/42/68/61/655426861.db2.gz WDGCNQMUDLSWHT-CYBMUJFWSA-N 1 0 397.317 2.540 20 0 GFADRO C[C@H]1[C@H](NC(=O)c2cc[nH]c(=O)c2Br)CC[N@@H+]1Cc1ccccc1 ZINC000574233578 655426938 /nfs/dbraw/zinc/42/69/38/655426938.db2.gz ZIMFGXLVCQZYRL-SWLSCSKDSA-N 1 0 390.281 2.943 20 0 GFADRO O=C(C[C@H]1CSCC[NH2+]1)N(Cc1ccccc1)C[C@@H](O)c1ccsc1 ZINC000238108518 655426983 /nfs/dbraw/zinc/42/69/83/655426983.db2.gz AVAIIFADOGLHJE-ZWKOTPCHSA-N 1 0 376.547 2.905 20 0 GFADRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)[C@@](N)(c2cccc(Cl)c2)C(F)(F)F)C1 ZINC000574791506 655430729 /nfs/dbraw/zinc/43/07/29/655430729.db2.gz MZFCVOBRDINXTG-LRDDRELGSA-N 1 0 377.838 2.903 20 0 GFADRO O=C(NCCC[NH+]1CCC(O)CC1)c1c(Cl)cc(F)cc1Br ZINC000574877079 655432632 /nfs/dbraw/zinc/43/26/32/655432632.db2.gz GDTNAIYCISFVCR-UHFFFAOYSA-N 1 0 393.684 2.818 20 0 GFADRO O=C(NCC1CC1)[C@@H]1CCC[N@@H+](C[C@H](O)c2cccc(Br)c2)C1 ZINC000248756045 655433167 /nfs/dbraw/zinc/43/31/67/655433167.db2.gz IZBPNCWTLWJPNZ-WBVHZDCISA-N 1 0 381.314 2.721 20 0 GFADRO O=C1[C@@H]([N@@H+]2CCC[C@@H](C3OCCO3)C2)CCN1c1cccc(Br)c1 ZINC000249308712 655434038 /nfs/dbraw/zinc/43/40/38/655434038.db2.gz NMMDZWRSEMUCQT-CJNGLKHVSA-N 1 0 395.297 2.639 20 0 GFADRO CCn1c2ccccc2nc1C[NH2+]CCn1cc(Br)ccc1=O ZINC000575083677 655435250 /nfs/dbraw/zinc/43/52/50/655435250.db2.gz NTYCQSDDSXVUDF-UHFFFAOYSA-N 1 0 375.270 2.770 20 0 GFADRO COc1cc(OC)c(S(=O)(=O)N[C@]2(C[NH3+])CCCC[C@@H]2C)cc1Cl ZINC000575802251 655437345 /nfs/dbraw/zinc/43/73/45/655437345.db2.gz GGDZWDRQHQYBEW-ZBEGNZNMSA-N 1 0 376.906 2.543 20 0 GFADRO COc1cc(C[NH2+][C@@H]2CCC[C@@H]3CN(C(C)=O)C[C@@H]32)c(Br)cc1O ZINC000575950395 655440705 /nfs/dbraw/zinc/44/07/05/655440705.db2.gz BBEFJZQQGKVHHM-IVMMDQJWSA-N 1 0 397.313 2.900 20 0 GFADRO O=C(NC[C@@H]1CCCN(Cc2c(F)cccc2Br)C1)[C@H]1CCC[NH2+]1 ZINC000261931941 655443060 /nfs/dbraw/zinc/44/30/60/655443060.db2.gz LQAMIZNTLOSLKX-SUMWQHHRSA-N 1 0 398.320 2.668 20 0 GFADRO CCC[NH+]1CCC(NC(=O)c2cccnc2-n2cc(Br)cn2)CC1 ZINC000576343172 655445901 /nfs/dbraw/zinc/44/59/01/655445901.db2.gz CRCLLAJWMWTOHG-UHFFFAOYSA-N 1 0 392.301 2.634 20 0 GFADRO CC(C)(CNC(=O)C[C@H]1COCC[NH2+]1)Sc1ccc(Br)cc1 ZINC000262507151 655446076 /nfs/dbraw/zinc/44/60/76/655446076.db2.gz JFGDKGPSBONATC-ZDUSSCGKSA-N 1 0 387.343 2.815 20 0 GFADRO COc1cc(NC(=O)CC[NH2+][C@@H](CO)CC(F)(F)F)c(OC)cc1Cl ZINC000576466298 655447924 /nfs/dbraw/zinc/44/79/24/655447924.db2.gz OOLXSMWJMWNYKW-SECBINFHSA-N 1 0 384.782 2.589 20 0 GFADRO O=C(CC[NH2+][C@@H]1CCCN(CC(F)(F)F)C1=O)Nc1ccc(Cl)cc1 ZINC000576631182 655450104 /nfs/dbraw/zinc/45/01/04/655450104.db2.gz YTSOKCGITYLWOU-CYBMUJFWSA-N 1 0 377.794 2.812 20 0 GFADRO Cc1nc(NC(=O)NC[C@H]2C[NH2+]CCO2)sc1Cc1cccc(Cl)c1 ZINC000576961449 655455376 /nfs/dbraw/zinc/45/53/76/655455376.db2.gz SZKJUEXIZYBUQO-CQSZACIVSA-N 1 0 380.901 2.806 20 0 GFADRO CC[NH+]1CCC(NC(=O)c2ccc(I)c(F)c2)CC1 ZINC000264316295 655460830 /nfs/dbraw/zinc/46/08/30/655460830.db2.gz WDRSIGFJIFEYJV-UHFFFAOYSA-N 1 0 376.213 2.644 20 0 GFADRO CC(C)Oc1cc(Br)ccc1C(=O)N[C@@H](C)CN1CC[NH+](C)CC1 ZINC000264376218 655462220 /nfs/dbraw/zinc/46/22/20/655462220.db2.gz FTLIERFGZSVSQN-AWEZNQCLSA-N 1 0 398.345 2.602 20 0 GFADRO O=C(CC[N@@H+]1CCC[C@H](N2CCOCC2)C1)Nc1ccccc1Br ZINC000577646638 655463739 /nfs/dbraw/zinc/46/37/39/655463739.db2.gz RECAEHCFRSTEGP-HNNXBMFYSA-N 1 0 396.329 2.574 20 0 GFADRO CC[NH+]1CCN([C@H]2CCN(C(=O)COc3c(Cl)cccc3Cl)C2)CC1 ZINC000264463573 655464301 /nfs/dbraw/zinc/46/43/01/655464301.db2.gz SEOMBSCJJYCNHZ-AWEZNQCLSA-N 1 0 386.323 2.611 20 0 GFADRO C[NH+](C)[C@@H]1CCCN(C(=O)c2ccn(-c3cccc(Br)c3)n2)C1 ZINC000264478474 655464669 /nfs/dbraw/zinc/46/46/69/655464669.db2.gz ZPLIBUCNMRAWDV-OAHLLOKOSA-N 1 0 377.286 2.801 20 0 GFADRO C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCC(C(=O)Nc2ccccc2Br)CC1 ZINC000577725294 655465789 /nfs/dbraw/zinc/46/57/89/655465789.db2.gz MADZADPLAMBVHS-JSGCOSHPSA-N 1 0 394.313 2.624 20 0 GFADRO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)c2ccccc2Br)CC1 ZINC000264554607 655465986 /nfs/dbraw/zinc/46/59/86/655465986.db2.gz SJNCXHVZVXUFBC-HNNXBMFYSA-N 1 0 380.330 2.691 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)[C@@H](C)[NH+]1CC(C)C1 ZINC000577742932 655466262 /nfs/dbraw/zinc/46/62/62/655466262.db2.gz KDHHDHIGQOYNJG-CYBMUJFWSA-N 1 0 382.302 2.543 20 0 GFADRO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)c2csc(Br)c2)CC1 ZINC000264580626 655466486 /nfs/dbraw/zinc/46/64/86/655466486.db2.gz ZEAQTTYEDLWBEW-CQSZACIVSA-N 1 0 386.359 2.753 20 0 GFADRO CSC1(CNS(=O)(=O)c2cccc3c(C)ccnc32)CC[NH+](C)CC1 ZINC000577905372 655469078 /nfs/dbraw/zinc/46/90/78/655469078.db2.gz WGBNJPJQSRSUTF-UHFFFAOYSA-N 1 0 379.551 2.649 20 0 GFADRO O=C(CC[N@@H+]1CCO[C@]2(CCSC2)C1)Nc1ccccc1Br ZINC000578009802 655471105 /nfs/dbraw/zinc/47/11/05/655471105.db2.gz FZCFQVBYXXYMMP-MRXNPFEDSA-N 1 0 385.327 2.986 20 0 GFADRO C[C@H](Cn1cccn1)[NH2+][C@H](C)C(=O)N(C)Cc1ccc(Br)cc1 ZINC000264866001 655472492 /nfs/dbraw/zinc/47/24/92/655472492.db2.gz NLGXLIPRHUKNRC-ZIAGYGMSSA-N 1 0 379.302 2.671 20 0 GFADRO CCOc1cc(C[NH2+][C@@H](C)CS(=O)(=O)CC)ccc1OCC(F)(F)F ZINC000264987279 655475382 /nfs/dbraw/zinc/47/53/82/655475382.db2.gz WBRZPYDMCANZIO-LBPRGKRZSA-N 1 0 383.432 2.939 20 0 GFADRO C[C@H](NC(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1)c1ncc(Br)cn1 ZINC000578278940 655475699 /nfs/dbraw/zinc/47/56/99/655475699.db2.gz KFVISECHKREZSU-WCQYABFASA-N 1 0 382.306 2.616 20 0 GFADRO Brc1c[nH+]c(NCc2cccc3c[nH]nc32)cc1N1CCOCC1 ZINC000578292222 655475924 /nfs/dbraw/zinc/47/59/24/655475924.db2.gz BYWYGZMQGKLCDW-UHFFFAOYSA-N 1 0 388.269 3.169 20 0 GFADRO O=C(NCCC[NH2+]C1CC1)c1ccc(I)cc1Cl ZINC000578361841 655477258 /nfs/dbraw/zinc/47/72/58/655477258.db2.gz QJXZVRFQVRXNLQ-UHFFFAOYSA-N 1 0 378.641 2.817 20 0 GFADRO Cc1cc(OC(F)F)c(C(=O)N(C)CC[N@H+](C)C2CCN(C)CC2)s1 ZINC000265145497 655478187 /nfs/dbraw/zinc/47/81/87/655478187.db2.gz XCJZQOLBICJMLQ-UHFFFAOYSA-N 1 0 375.485 2.756 20 0 GFADRO C[C@@H](Cc1cc(Br)ccc1F)[NH2+]C1CCC2(CC1)NC(=O)NC2=O ZINC000578493036 655480319 /nfs/dbraw/zinc/48/03/19/655480319.db2.gz QPNOVROWTCLJLR-ITNLDZRZSA-N 1 0 398.276 2.630 20 0 GFADRO [NH3+][C@@H]1CCCC[C@@H]1CC(=O)NC[C@H](O)COc1cccc(Cl)c1Cl ZINC000578502066 655480561 /nfs/dbraw/zinc/48/05/61/655480561.db2.gz GCQAEBMMCWQYLH-MBNYWOFBSA-N 1 0 375.296 2.757 20 0 GFADRO COC(=O)[C@@H](C)CSCC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000265343513 655481763 /nfs/dbraw/zinc/48/17/63/655481763.db2.gz XZOXDPOBZWXAPX-AWEZNQCLSA-N 1 0 382.551 2.716 20 0 GFADRO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N[C@@H](c1ccsc1)c1ccc(Cl)cc1 ZINC000578627538 655483398 /nfs/dbraw/zinc/48/33/98/655483398.db2.gz YMXKFYGTPMSQBM-MQIPJXDCSA-N 1 0 379.913 2.849 20 0 GFADRO O[C@@H](C[NH2+]Cc1cc(Br)ccc1OC(F)F)C1CCOCC1 ZINC000265496242 655484548 /nfs/dbraw/zinc/48/45/48/655484548.db2.gz CDYPCCWICLTIQN-ZDUSSCGKSA-N 1 0 380.229 2.928 20 0 GFADRO C[N@@H+]1CC[C@H](C(=O)NCc2cc(Cl)cc(I)c2)C1 ZINC000578741902 655486071 /nfs/dbraw/zinc/48/60/71/655486071.db2.gz LOIMQQPOHZGWCV-JTQLQIEISA-N 1 0 378.641 2.513 20 0 GFADRO CCN(CCC[NH+](C)C)C(=O)C1(c2cccc(Br)c2)CC(=O)C1 ZINC000578927287 655489218 /nfs/dbraw/zinc/48/92/18/655489218.db2.gz YFQCBAXEQRJBDY-UHFFFAOYSA-N 1 0 381.314 2.850 20 0 GFADRO O=C(NC[C@@H](O)C[NH+]1CCCC1)Nc1ccc(Br)cc1Cl ZINC000265755956 655489928 /nfs/dbraw/zinc/48/99/28/655489928.db2.gz DTFDZVCHCCGXLN-LLVKDONJSA-N 1 0 376.682 2.681 20 0 GFADRO O=C(NC[C@H]1CC1(Cl)Cl)NCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000840243068 661149206 /nfs/dbraw/zinc/14/92/06/661149206.db2.gz HWFXYMDGKFFTFP-OAHLLOKOSA-N 1 0 386.323 2.507 20 0 GFADRO COCC[NH2+]C1CCN(Cc2c(Br)cc(OC)cc2OC)CC1 ZINC000579013856 655491577 /nfs/dbraw/zinc/49/15/77/655491577.db2.gz OTRDDCBKWBNHQX-UHFFFAOYSA-N 1 0 387.318 2.667 20 0 GFADRO CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000579076292 655493028 /nfs/dbraw/zinc/49/30/28/655493028.db2.gz JVTHELMPDUJJME-HZPDHXFCSA-N 1 0 394.313 2.545 20 0 GFADRO OC[C@H](C[NH2+]C[C@@H](O)Cc1ccccc1)Cc1ccc(F)c(Br)c1 ZINC000579108470 655494049 /nfs/dbraw/zinc/49/40/49/655494049.db2.gz CVIVZJJAHIFCOO-IRXDYDNUSA-N 1 0 396.300 2.932 20 0 GFADRO C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCC[C@@H]1c1ccccc1I ZINC000579232858 655496240 /nfs/dbraw/zinc/49/62/40/655496240.db2.gz ILZZZZPJHSYVOH-SLEUVZQESA-N 1 0 384.261 2.953 20 0 GFADRO O[C@H](C[NH2+]Cc1ccc(I)cc1)COc1ccccc1 ZINC000579434616 655499523 /nfs/dbraw/zinc/49/95/23/655499523.db2.gz DSDBYXUDNHYFQY-OAHLLOKOSA-N 1 0 383.229 2.821 20 0 GFADRO Cc1cc(C(C)(C)C(=O)NCC[N@@H+]2CCCOCC2)ccc1Br ZINC000579536037 655501121 /nfs/dbraw/zinc/50/11/21/655501121.db2.gz URKAABXXXDOOMV-UHFFFAOYSA-N 1 0 383.330 2.874 20 0 GFADRO C[C@H](CNC(=O)N(C)C[C@H](O)c1cccc(Br)c1)[NH+]1CCCCC1 ZINC000840271151 661150601 /nfs/dbraw/zinc/15/06/01/661150601.db2.gz VPUVXTQLDLEWOM-PBHICJAKSA-N 1 0 398.345 2.998 20 0 GFADRO [NH3+]CCCOC1CCN(C(=O)[C@@H]2CCc3cc(Br)ccc32)CC1 ZINC000579711459 655502817 /nfs/dbraw/zinc/50/28/17/655502817.db2.gz ADODNUDEVCRYPG-QGZVFWFLSA-N 1 0 381.314 2.835 20 0 GFADRO CC(=O)N[C@H](CC(=O)NC(C)(C)CCC[NH3+])c1ccc(Br)cc1 ZINC000579716092 655503038 /nfs/dbraw/zinc/50/30/38/655503038.db2.gz LLSKKOSUEXCYJY-OAHLLOKOSA-N 1 0 384.318 2.650 20 0 GFADRO C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]C[C@H]1CC(=O)N(C2CC2)C1 ZINC000579722338 655503145 /nfs/dbraw/zinc/50/31/45/655503145.db2.gz INQGBDIHRMMUQD-QWHCGFSZSA-N 1 0 394.313 2.767 20 0 GFADRO Cc1nnc(COCC(=O)Nc2nc3c(s2)C[N@@H+](C(C)(C)C)CC3)s1 ZINC000579949662 655506019 /nfs/dbraw/zinc/50/60/19/655506019.db2.gz GPZACUICMJVAHF-UHFFFAOYSA-N 1 0 381.527 2.615 20 0 GFADRO C[C@H]([NH2+]C1CC1)C(=O)N[C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000580071239 655507959 /nfs/dbraw/zinc/50/79/59/655507959.db2.gz MPPUJKRNKPOOKS-JOYOIKCWSA-N 1 0 376.810 2.589 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)N(C)C[C@H](O)c2cccc(Br)c2)CC[N@@H+]1C ZINC000840309830 661153318 /nfs/dbraw/zinc/15/33/18/661153318.db2.gz MWENJIVKMUQUPP-KCXAZCMYSA-N 1 0 384.318 2.607 20 0 GFADRO O=C([C@@H]1COc2ccc(Br)cc21)N1CCC([NH2+]CC2CC2)CC1 ZINC000580324202 655511032 /nfs/dbraw/zinc/51/10/32/655511032.db2.gz JJTSUODOKDQMJN-MRXNPFEDSA-N 1 0 379.298 2.916 20 0 GFADRO Cn1cc(C[NH2+][C@H]2CCC[C@H]2CNC(=O)OC(C)(C)C)c(Br)n1 ZINC000712464181 655522686 /nfs/dbraw/zinc/52/26/86/655522686.db2.gz WDLMIVUGBWIZSL-AAEUAGOBSA-N 1 0 387.322 2.966 20 0 GFADRO C[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1NC(=O)c1cnn(C)c1Br ZINC000716184659 655523466 /nfs/dbraw/zinc/52/34/66/655523466.db2.gz QJGAQBFIGZFBML-XJKSGUPXSA-N 1 0 391.313 2.823 20 0 GFADRO C[C@H]([NH2+]CC[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O)c1ccsc1 ZINC000721751554 655525136 /nfs/dbraw/zinc/52/51/36/655525136.db2.gz HDNJMVQVRDZKFK-ZFWWWQNUSA-N 1 0 388.555 2.823 20 0 GFADRO C[N@@H+]1CCC[C@@H]1CNC(=O)N1CCO[C@H](c2ccccc2Br)C1 ZINC000726245115 655532348 /nfs/dbraw/zinc/53/23/48/655532348.db2.gz YCPBYEKNPJPKCQ-CJNGLKHVSA-N 1 0 382.302 2.626 20 0 GFADRO O=C(/C=C\c1ccc(I)o1)NCCC[NH+]1CCCCC1 ZINC000726503731 655535668 /nfs/dbraw/zinc/53/56/68/655535668.db2.gz REXZMSKCTCSLHC-VURMDHGXSA-N 1 0 388.249 2.890 20 0 GFADRO CC[N@@H+]1CCC[C@H](CNS(=O)(=O)c2cc(Br)cnc2Cl)C1 ZINC000726603000 655536636 /nfs/dbraw/zinc/53/66/36/655536636.db2.gz NILUGYVSWOMOFO-SNVBAGLBSA-N 1 0 396.738 2.508 20 0 GFADRO C[NH+](C)CC(C)(C)CNC(=S)NCCNc1ncc(Cl)cc1Cl ZINC000727078412 655541464 /nfs/dbraw/zinc/54/14/64/655541464.db2.gz WGQBQKDELOZCKG-UHFFFAOYSA-N 1 0 378.373 2.852 20 0 GFADRO COCCS(=O)(=O)CCC[NH2+]C1(c2ccc(Br)cc2)CCC1 ZINC000727830390 655550036 /nfs/dbraw/zinc/55/00/36/655550036.db2.gz RBIYTGHNYAWMKC-UHFFFAOYSA-N 1 0 390.343 2.869 20 0 GFADRO CC(C)[N@H+](C)C[C@H](C)NC(=O)N(C)C[C@H](O)c1cccc(Br)c1 ZINC000840375921 661158697 /nfs/dbraw/zinc/15/86/97/661158697.db2.gz UWTCUCDVSCRKCE-BBRMVZONSA-N 1 0 386.334 2.853 20 0 GFADRO O[C@@H](C[NH+]1CCC(c2nnc3n2CCC3)CC1)c1ccc(Br)cc1 ZINC000728914101 655559801 /nfs/dbraw/zinc/55/98/01/655559801.db2.gz BFYNSXHUXGESPW-INIZCTEOSA-N 1 0 391.313 2.900 20 0 GFADRO C[N@H+](CCNC(=O)/C=C/c1ccc(I)o1)C1CCCC1 ZINC000729438196 655564680 /nfs/dbraw/zinc/56/46/80/655564680.db2.gz DPYRMBNDKWDIKV-VQHVLOKHSA-N 1 0 388.249 2.888 20 0 GFADRO CC(C)(NC(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccc(Br)cc1 ZINC000729596772 655566028 /nfs/dbraw/zinc/56/60/28/655566028.db2.gz STLRIXBSXATEBD-CVEARBPZSA-N 1 0 396.329 2.847 20 0 GFADRO COCC[N@@H+]1CCC[C@@H](NC(=O)/C=C\c2ccc(C)cc2Br)C1 ZINC000729984262 655570787 /nfs/dbraw/zinc/57/07/87/655570787.db2.gz YKYAHESLZVJZAH-XITLMJRVSA-N 1 0 381.314 2.998 20 0 GFADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=S)NCCSc1ccc(Cl)cc1 ZINC000730157575 655572107 /nfs/dbraw/zinc/57/21/07/655572107.db2.gz VALYWXCZTMOQJA-AWEZNQCLSA-N 1 0 387.018 2.532 20 0 GFADRO O[C@@H](CN1CCO[C@@H](c2cc(F)c(Cl)cc2Cl)C1)C[NH+]1CCCC1 ZINC000730379092 655575282 /nfs/dbraw/zinc/57/52/82/655575282.db2.gz YPIVNFFIOPKZBR-SJKOYZFVSA-N 1 0 377.287 2.963 20 0 GFADRO CN(C[C@@H](O)c1cccc(Br)c1)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000840303536 661152665 /nfs/dbraw/zinc/15/26/65/661152665.db2.gz WKQBQFUYEZJCSH-IAGOWNOFSA-N 1 0 396.329 2.608 20 0 GFADRO COC(=O)c1ccc(Cl)c(S(=O)(=O)NCC[NH+]2[C@H](C)CCC[C@H]2C)c1 ZINC000730815178 655578524 /nfs/dbraw/zinc/57/85/24/655578524.db2.gz SRULPKMAFBSUHE-CHWSQXEVSA-N 1 0 388.917 2.668 20 0 GFADRO C[NH+](C)CCC1CCN(C(=O)c2sccc2S(=O)(=O)C(F)F)CC1 ZINC000731058725 655581239 /nfs/dbraw/zinc/58/12/39/655581239.db2.gz ONYWSHYPCMSVJX-UHFFFAOYSA-N 1 0 380.482 2.548 20 0 GFADRO C[C@H](CNC(=S)NCC[NH+](C)C)Sc1ccc(Br)cc1 ZINC000731570702 655584516 /nfs/dbraw/zinc/58/45/16/655584516.db2.gz VQKBUVQZXCUZBK-LLVKDONJSA-N 1 0 376.389 2.955 20 0 GFADRO C[NH+]1CCC(NC(=S)N[C@H]2CCN(c3ccccc3Br)C2)CC1 ZINC000731949362 655589944 /nfs/dbraw/zinc/58/99/44/655589944.db2.gz KFEUBMLNEJUXAF-AWEZNQCLSA-N 1 0 397.386 2.586 20 0 GFADRO CN([C@H]1CC[N@@H+](C2CC2)C1)S(=O)(=O)/C=C/c1ccc(Br)cc1 ZINC000732226756 655593482 /nfs/dbraw/zinc/59/34/82/655593482.db2.gz OXTNJECTNNBNBG-SOGBHIHOSA-N 1 0 385.327 2.918 20 0 GFADRO O=C([C@H]1CCC[N@@H+](C[C@@H](O)c2ccc(Br)cc2)C1)N1CCCC1 ZINC000732412341 655596242 /nfs/dbraw/zinc/59/62/42/655596242.db2.gz JKVJLJRPXKJHBH-DOTOQJQBSA-N 1 0 381.314 2.817 20 0 GFADRO O=C([C@@H]1CCC[N@@H+](C[C@H](O)c2ccc(Br)cc2)C1)N1CCCC1 ZINC000732412344 655596411 /nfs/dbraw/zinc/59/64/11/655596411.db2.gz JKVJLJRPXKJHBH-WBVHZDCISA-N 1 0 381.314 2.817 20 0 GFADRO S=C(NCCSc1ccc(Cl)cc1)NCC[NH+]1CCSCC1 ZINC000732720518 655600693 /nfs/dbraw/zinc/60/06/93/655600693.db2.gz IRCHUCZVTIHKDI-UHFFFAOYSA-N 1 0 376.016 2.945 20 0 GFADRO CC(C)[C@H](C[NH+](C)C)NC(=O)[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000733169057 655608749 /nfs/dbraw/zinc/60/87/49/655608749.db2.gz YNVBMTLPEHQIDT-CVEARBPZSA-N 1 0 396.329 2.504 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CNC(=S)NCc1nc(-c2ccc(Cl)cc2)no1 ZINC000734310993 655629077 /nfs/dbraw/zinc/62/90/77/655629077.db2.gz WLIOPXFKUNEFCD-AWEZNQCLSA-N 1 0 379.917 2.838 20 0 GFADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=S)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000735627898 655650237 /nfs/dbraw/zinc/65/02/37/655650237.db2.gz LARMCBMBZYMSPW-NSHDSACASA-N 1 0 392.903 2.864 20 0 GFADRO CCS(=O)(=O)c1ccc2oc(=S)n(CN3CCC[C@H]([NH+](C)C)C3)c2c1 ZINC000738144632 655685851 /nfs/dbraw/zinc/68/58/51/655685851.db2.gz RHYXQSNYGPAPMB-ZDUSSCGKSA-N 1 0 383.539 2.741 20 0 GFADRO S=c1n(CN2CC[C@H](C[NH+]3CCCC3)C2)nnn1-c1ccc(Cl)cc1 ZINC000739877390 655695058 /nfs/dbraw/zinc/69/50/58/655695058.db2.gz XDLSLEIEEKHBDO-CQSZACIVSA-N 1 0 378.933 2.827 20 0 GFADRO O=c1ccn(C[N@@H+]2CCCC[C@@H]2C2OCCO2)c2c(Br)cccc12 ZINC000740758747 655698890 /nfs/dbraw/zinc/69/88/90/655698890.db2.gz KUESEMQKDMMHMU-OAHLLOKOSA-N 1 0 393.281 2.949 20 0 GFADRO COc1cc(CN(C)C(=S)NC2CC[NH+](C)CC2)c(SC)cc1OC ZINC000741168771 655703318 /nfs/dbraw/zinc/70/33/18/655703318.db2.gz QXGLLEJCFAEFLP-UHFFFAOYSA-N 1 0 383.583 2.826 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)Nc2cc3c(cc2Br)OCCO3)CC[N@@H+]1C ZINC000741752477 655707868 /nfs/dbraw/zinc/70/78/68/655707868.db2.gz STESYLXYZHPZMW-MNOVXSKESA-N 1 0 384.274 2.825 20 0 GFADRO COc1ccc2nc(Cl)ccc2c1S(=O)(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000742308299 655714959 /nfs/dbraw/zinc/71/49/59/655714959.db2.gz FRQCMBCUSXJEBI-NWDGAFQWSA-N 1 0 383.901 2.658 20 0 GFADRO Brc1ccc2ncc(C[NH2+]Cc3ccnc(-n4ccnc4)c3)n2c1 ZINC000742369506 655717265 /nfs/dbraw/zinc/71/72/65/655717265.db2.gz ZMYVKQHZAYOUFL-UHFFFAOYSA-N 1 0 383.253 2.967 20 0 GFADRO C[C@H](C[NH2+]Cc1ccc(OCC(N)=O)cc1)Oc1cccc(Br)c1 ZINC000742389429 655717622 /nfs/dbraw/zinc/71/76/22/655717622.db2.gz XFWBGNGWEVKMMU-CYBMUJFWSA-N 1 0 393.281 2.870 20 0 GFADRO C[NH+](C)C1(CNC(=O)COc2ccc(C=O)cc2Br)CCCC1 ZINC000742545596 655719106 /nfs/dbraw/zinc/71/91/06/655719106.db2.gz SMNJQIOPEIUZBQ-UHFFFAOYSA-N 1 0 383.286 2.631 20 0 GFADRO CC(C)[N@@H+]1CCCN(C(=O)COc2ccc(C=O)cc2Br)CC1 ZINC000742628073 655719745 /nfs/dbraw/zinc/71/97/45/655719745.db2.gz OFJKXEMXHSJOCB-UHFFFAOYSA-N 1 0 383.286 2.583 20 0 GFADRO C[C@@H](NC(=S)N1CCN(CC[NH+](C)C)CC1)c1ccc(Br)cc1 ZINC000840704241 661176949 /nfs/dbraw/zinc/17/69/49/661176949.db2.gz NYKQOKCBCBAYEH-CQSZACIVSA-N 1 0 399.402 2.564 20 0 GFADRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)/C=C\c2ccc(I)o2)C1 ZINC000742841739 655722543 /nfs/dbraw/zinc/72/25/43/655722543.db2.gz WHFLDSKYKQIVLL-RNZFLTOJSA-N 1 0 388.249 2.744 20 0 GFADRO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2sccc2S(=O)(=O)C(F)F)C1 ZINC000742880693 655723171 /nfs/dbraw/zinc/72/31/71/655723171.db2.gz OPSTYKSLFWJOBA-LLVKDONJSA-N 1 0 380.482 2.548 20 0 GFADRO COc1ccc(Cl)c(NC(=S)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)c1 ZINC000743000124 655724344 /nfs/dbraw/zinc/72/43/44/655724344.db2.gz PLGRTNCNMMZDTF-ZDUSSCGKSA-N 1 0 382.961 2.804 20 0 GFADRO CSc1nc2ccc(NC(=O)C(=O)N[C@H]3CC[N@H+](C)[C@H](C)C3)cc2s1 ZINC000743930394 655732734 /nfs/dbraw/zinc/73/27/34/655732734.db2.gz FHLIZQHHCFNZST-PWSUYJOCSA-N 1 0 378.523 2.556 20 0 GFADRO CC(C)[NH+]1CCC(NC(=O)COC(=O)c2ccc(Cl)c(Cl)c2O)CC1 ZINC000744975344 655747348 /nfs/dbraw/zinc/74/73/48/655747348.db2.gz CTIFOOBIFPIGGZ-UHFFFAOYSA-N 1 0 389.279 2.845 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2Cn1ncc2c1cccc2Br ZINC000746654490 655765506 /nfs/dbraw/zinc/76/55/06/655765506.db2.gz YMVLCOGFFXUHBB-XWIAVFTESA-N 1 0 393.329 2.940 20 0 GFADRO O=C(Nc1cc(Cl)cc(Cl)c1)[C@H]1CCCN1C[C@@H](O)C[NH+]1CCCC1 ZINC000747669159 655781664 /nfs/dbraw/zinc/78/16/64/655781664.db2.gz GAEMBESJSPLLHV-DLBZAZTESA-N 1 0 386.323 2.853 20 0 GFADRO CN(CC(=O)OCCCCC[NH+](C)C)C(=O)c1ccc(Br)s1 ZINC000747769591 655783222 /nfs/dbraw/zinc/78/32/22/655783222.db2.gz UFEMCROVAYIQNJ-UHFFFAOYSA-N 1 0 391.331 2.858 20 0 GFADRO Cc1csc([C@](O)(CC(=O)N[C@H](C)C(C)(C)C[NH+](C)C)C(F)(F)F)n1 ZINC000747982331 655785953 /nfs/dbraw/zinc/78/59/53/655785953.db2.gz ZDWFCNIUDIVFPJ-IAQYHMDHSA-N 1 0 381.464 2.684 20 0 GFADRO CC[NH+]1CCN(CCNC(=S)N[C@H](C)c2ccc(Br)cc2)CC1 ZINC000840715140 661178195 /nfs/dbraw/zinc/17/81/95/661178195.db2.gz OTNIZZPMSXVANO-CQSZACIVSA-N 1 0 399.402 2.612 20 0 GFADRO C[NH+](C)[C@@]1(CNC(=O)NC[C@@H](O)c2cc(Cl)cc(Cl)c2)CCSC1 ZINC000748645948 655793291 /nfs/dbraw/zinc/79/32/91/655793291.db2.gz CXBZQNMLZBVHFN-GDBMZVCRSA-N 1 0 392.352 2.763 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@@H](NS(=O)(=O)Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000749300417 655802896 /nfs/dbraw/zinc/80/28/96/655802896.db2.gz IXGGLQBGBKKELX-ZIAGYGMSSA-N 1 0 380.432 2.877 20 0 GFADRO C[N@H+](C[C@H](O)COCc1ccccc1Cl)[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000749351753 655803495 /nfs/dbraw/zinc/80/34/95/655803495.db2.gz NBDWOPQNMVRABO-RYQLBKOJSA-N 1 0 389.945 2.505 20 0 GFADRO CS(=O)(=O)c1ccc(C[NH2+][C@@H]2CCN(c3cccc(Cl)c3)C2=O)cc1 ZINC000749883526 655808598 /nfs/dbraw/zinc/80/85/98/655808598.db2.gz MNBXKTLRUHELJB-QGZVFWFLSA-N 1 0 378.881 2.639 20 0 GFADRO COCCS(=O)(=O)CCC[N@@H+]1CCCCC[C@@H]1C[C@H](O)c1cccs1 ZINC000750840379 655817903 /nfs/dbraw/zinc/81/79/03/655817903.db2.gz WNZODHDVJNZKIN-SJORKVTESA-N 1 0 389.583 2.868 20 0 GFADRO C[NH+](C)CCCNC(=S)N1CCO[C@H](c2ccccc2Br)C1 ZINC000751021520 655820444 /nfs/dbraw/zinc/82/04/44/655820444.db2.gz WILXICDPWFJEOV-HNNXBMFYSA-N 1 0 386.359 2.649 20 0 GFADRO C[C@H]1C[N@H+](CN2C(=O)N[C@](C)(c3ccc(Br)cc3)C2=O)C[C@H]1C ZINC000751924594 655836154 /nfs/dbraw/zinc/83/61/54/655836154.db2.gz CMHQYLCVYZZDIE-BWACUDIHSA-N 1 0 380.286 2.761 20 0 GFADRO CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)OCC[C@@H]2CCCC[N@@H+]2C)c1 ZINC000752447016 655843483 /nfs/dbraw/zinc/84/34/83/655843483.db2.gz ADGXRLZQMCATQP-ZDUSSCGKSA-N 1 0 388.917 2.622 20 0 GFADRO CCO[C@@H](CC[NH+](C)C)CNC(=S)NCc1ccc(Br)cc1 ZINC000753965623 655861421 /nfs/dbraw/zinc/86/14/21/655861421.db2.gz PHMAEZKBDJBSMO-HNNXBMFYSA-N 1 0 388.375 2.770 20 0 GFADRO NC(=O)c1ccc(NC(=O)CC[NH2+][C@H](CCO)c2cccs2)cc1Cl ZINC000754385372 655867180 /nfs/dbraw/zinc/86/71/80/655867180.db2.gz PIDWSELJBROOAN-CQSZACIVSA-N 1 0 381.885 2.542 20 0 GFADRO CS(=O)(=O)c1ccc(C[NH2+]C[C@H](O)c2ccc(OC(F)(F)F)cc2)s1 ZINC000840887490 661198508 /nfs/dbraw/zinc/19/85/08/661198508.db2.gz XWJCLKYSUSTTQX-ZDUSSCGKSA-N 1 0 395.424 2.873 20 0 GFADRO COc1cc([C@H](C)[NH2+][C@@H]2CCC[C@@H](CO)C2)ccc1S(=O)(=O)C(F)F ZINC000840895046 661201947 /nfs/dbraw/zinc/20/19/47/661201947.db2.gz HFOGVPZGGIAUMR-OUCADQQQSA-N 1 0 377.453 2.893 20 0 GFADRO CN1CC[NH+](CC2(C)CCN(C(=S)Nc3ccc(Cl)nc3)CC2)CC1 ZINC000757944256 655919542 /nfs/dbraw/zinc/91/95/42/655919542.db2.gz UAQIIMDYOMXGCB-UHFFFAOYSA-N 1 0 381.977 2.781 20 0 GFADRO C[NH+](C)[C@@]1(CNC(=O)Nc2nc(-c3ccc(F)cc3)ns2)CCSC1 ZINC000758085278 655922858 /nfs/dbraw/zinc/92/28/58/655922858.db2.gz RVUZOGVZKADRIR-MRXNPFEDSA-N 1 0 381.502 2.903 20 0 GFADRO O=C(c1ccnc(Br)c1)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000758255257 655927570 /nfs/dbraw/zinc/92/75/70/655927570.db2.gz IGLGBOLWRNFIML-UHFFFAOYSA-N 1 0 382.302 2.561 20 0 GFADRO O=C(c1scnc1Br)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000758299320 655928949 /nfs/dbraw/zinc/92/89/49/655928949.db2.gz ADPKHVIAJKNZNU-UHFFFAOYSA-N 1 0 388.331 2.623 20 0 GFADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1cc(Br)cc2cccnc21 ZINC000758898754 655943175 /nfs/dbraw/zinc/94/31/75/655943175.db2.gz LBZWKLMKRWYRQH-CABCVRRESA-N 1 0 390.281 2.590 20 0 GFADRO CC[C@@H](CO)[NH+]1CCN(C(=O)/C=C\c2ccc(C)cc2Br)CC1 ZINC000759634350 655959711 /nfs/dbraw/zinc/95/97/11/655959711.db2.gz VPNLKTLTIJKYGZ-WLMCBFPDSA-N 1 0 381.314 2.686 20 0 GFADRO O=C(NCC(F)(F)F)C1CC[NH+](C[C@H](O)c2ccc(Cl)c(F)c2)CC1 ZINC000759845646 655965101 /nfs/dbraw/zinc/96/51/01/655965101.db2.gz QTWAWNOAMOYTKH-AWEZNQCLSA-N 1 0 382.785 2.903 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)c1cnn(-c2ccccc2)c1Br)C1CC1 ZINC000760179246 655971358 /nfs/dbraw/zinc/97/13/58/655971358.db2.gz JOTNMOKYFZEASI-HNNXBMFYSA-N 1 0 377.286 2.705 20 0 GFADRO C[N@H+]1CC=C(CNC(=O)c2cnn(-c3ccccc3)c2Br)CC1 ZINC000760420777 655979888 /nfs/dbraw/zinc/97/98/88/655979888.db2.gz BXWCMUGBUJBBAE-UHFFFAOYSA-N 1 0 375.270 2.627 20 0 GFADRO CC1CC[NH+](CCN2C(=O)N[C@@](C)(c3cccc(Br)c3)C2=O)CC1 ZINC000761021627 655996775 /nfs/dbraw/zinc/99/67/75/655996775.db2.gz XFVZITZOFVABNW-SFHVURJKSA-N 1 0 394.313 2.948 20 0 GFADRO C[C@]1(c2cccc(Br)c2)NC(=O)N(C[C@H]2CC[N@@H+](C3CC3)C2)C1=O ZINC000761088706 655998123 /nfs/dbraw/zinc/99/81/23/655998123.db2.gz VNYPYZODGSIRNU-KPZWWZAWSA-N 1 0 392.297 2.700 20 0 GFADRO CC[N@H+](CCN1C(=O)N[C@@](C)(c2cccc(Br)c2)C1=O)C1CC1 ZINC000761205265 656003109 /nfs/dbraw/zinc/00/31/09/656003109.db2.gz JTJRCWFZTNHPIR-KRWDZBQOSA-N 1 0 380.286 2.700 20 0 GFADRO CCOC(=O)CCN(C[C@H]1CCC[N@@H+]1CC)C(=O)c1nc(Cl)sc1C ZINC000762901151 656063312 /nfs/dbraw/zinc/06/33/12/656063312.db2.gz VRVOLVFNKLKBJY-CYBMUJFWSA-N 1 0 387.933 2.985 20 0 GFADRO CN(C)C(=O)c1ccc(C[N@H+](C)C[C@@H](O)c2cccc(Br)c2)[nH]1 ZINC000840957372 661219944 /nfs/dbraw/zinc/21/99/44/661219944.db2.gz CKKVTYFCBDLTCE-MRXNPFEDSA-N 1 0 380.286 2.644 20 0 GFADRO C[C@H]([NH2+][C@H](CCO)C1CCOCC1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000763558198 656086031 /nfs/dbraw/zinc/08/60/31/656086031.db2.gz JDVOVZHHOPHQSV-BLLLJJGKSA-N 1 0 377.453 2.511 20 0 GFADRO CC[NH+](CC)C[C@@H](C)NC(=O)c1ccnc(Cl)c1I ZINC000764005855 656098972 /nfs/dbraw/zinc/09/89/72/656098972.db2.gz FVCZCJZJMRAKJI-SECBINFHSA-N 1 0 395.672 2.800 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000764232243 656105363 /nfs/dbraw/zinc/10/53/63/656105363.db2.gz VERYDRFYDWTNND-LSDHHAIUSA-N 1 0 382.302 2.996 20 0 GFADRO CCOc1cc(Br)ccc1NC(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000764241066 656105657 /nfs/dbraw/zinc/10/56/57/656105657.db2.gz DDQACIGBYLYIKB-KBPBESRZSA-N 1 0 398.301 2.833 20 0 GFADRO O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000765044263 656127311 /nfs/dbraw/zinc/12/73/11/656127311.db2.gz VEVQDVJGAPTXPH-IRXDYDNUSA-N 1 0 387.307 2.786 20 0 GFADRO O=C(Nc1cc2c(cc1Br)OCCO2)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000841014000 661227277 /nfs/dbraw/zinc/22/72/77/661227277.db2.gz DFEFLQZDCFUBLV-KRWDZBQOSA-N 1 0 396.285 2.828 20 0 GFADRO Cn1nc(C(F)(F)F)c(CN2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)c1Cl ZINC000841103326 661233240 /nfs/dbraw/zinc/23/32/40/661233240.db2.gz GPPIBFMMOHBQLE-DGCLKSJQSA-N 1 0 380.842 2.811 20 0 GFADRO C[C@H]1C[C@H](NC(=O)Nc2cnc(Br)c(Br)c2)CC[NH2+]1 ZINC000841141762 661237106 /nfs/dbraw/zinc/23/71/06/661237106.db2.gz KIROUTFOEVFSGA-JGVFFNPUSA-N 1 0 392.095 2.869 20 0 GFADRO O=C(Nc1cnc(Br)c(Br)c1)N[C@@H]1CCC[NH2+]CC1 ZINC000841142073 661237366 /nfs/dbraw/zinc/23/73/66/661237366.db2.gz MFXINQAHIOQYCA-MRVPVSSYSA-N 1 0 392.095 2.870 20 0 GFADRO CC[NH+](CC)CCN(CC(C)C)S(=O)(=O)c1cnc(Cl)c(OC)c1 ZINC000767700112 656214988 /nfs/dbraw/zinc/21/49/88/656214988.db2.gz YKJGYSCCIRWEPA-UHFFFAOYSA-N 1 0 377.938 2.732 20 0 GFADRO C[NH2+][C@H]1CCCN(C(=O)Nc2cnc(Br)c(Br)c2)C1 ZINC000841142905 661237711 /nfs/dbraw/zinc/23/77/11/661237711.db2.gz SVKPOKVJUACITM-QMMMGPOBSA-N 1 0 392.095 2.822 20 0 GFADRO [NH3+]C1CCC(NC(=O)Nc2cnc(Br)c(Br)c2)CC1 ZINC000841143400 661238209 /nfs/dbraw/zinc/23/82/09/661238209.db2.gz ZBYBQYYVAAFCDQ-UHFFFAOYSA-N 1 0 392.095 2.998 20 0 GFADRO COc1cc(S(=O)(=O)N(CC[NH+](C)C)Cc2cccs2)cnc1Cl ZINC000767822220 656221346 /nfs/dbraw/zinc/22/13/46/656221346.db2.gz LIUPFLRRJYSGBT-UHFFFAOYSA-N 1 0 389.930 2.558 20 0 GFADRO C[NH2+]CCCNC(=O)C(=O)Nc1ccccc1SC[C@@H]1CC1(Cl)Cl ZINC000841155607 661239394 /nfs/dbraw/zinc/23/93/94/661239394.db2.gz SYMXDHPCUDPPCQ-NSHDSACASA-N 1 0 390.336 2.637 20 0 GFADRO C[C@@H](NC(=O)C(=O)Nc1ccccc1SC(F)(F)F)[C@@H]1CCC[NH2+]C1 ZINC000841158411 661239883 /nfs/dbraw/zinc/23/98/83/661239883.db2.gz GFVXHTXIKHYKDM-GHMZBOCLSA-N 1 0 375.416 2.741 20 0 GFADRO C[NH2+][C@@H]1CCCN(C(=O)C(=O)Nc2cccc(Cl)c2SC(F)F)C1 ZINC000841163948 661240744 /nfs/dbraw/zinc/24/07/44/661240744.db2.gz LYDGCOBOOBKRBD-SECBINFHSA-N 1 0 377.844 2.804 20 0 GFADRO CCCCCSc1nc2ccc(NC(=O)C(=O)NC3C[NH2+]C3)cc2s1 ZINC000841172077 661241172 /nfs/dbraw/zinc/24/11/72/661241172.db2.gz CQZTVRZWCUAYRS-UHFFFAOYSA-N 1 0 378.523 2.605 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)Nc2cc3ccccc3nc2Br)CCCO1 ZINC000841215223 661245082 /nfs/dbraw/zinc/24/50/82/661245082.db2.gz LLBXNNSFCNADRI-GFCCVEGCSA-N 1 0 379.258 2.579 20 0 GFADRO C[C@@H](CCC1CC1)[NH2+][C@@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000769418991 656275289 /nfs/dbraw/zinc/27/52/89/656275289.db2.gz XIQQMFFUKDAIFJ-KBPBESRZSA-N 1 0 388.555 2.642 20 0 GFADRO C[C@@H]([NH2+][C@@H](C)CCC1CC1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000769418993 656275661 /nfs/dbraw/zinc/27/56/61/656275661.db2.gz XIQQMFFUKDAIFJ-UONOGXRCSA-N 1 0 388.555 2.642 20 0 GFADRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C(=O)Nc1ccc2cc(Br)ccc2c1 ZINC000841232326 661246495 /nfs/dbraw/zinc/24/64/95/661246495.db2.gz XCAUCZFBYMBWHP-ZBEGNZNMSA-N 1 0 390.281 2.798 20 0 GFADRO O[C@H](C[NH2+][C@H]1CCCC[C@H]1N1CCOCC1)c1cccc(Br)c1 ZINC000769801784 656292305 /nfs/dbraw/zinc/29/23/05/656292305.db2.gz QXNJQDFNZGDXIT-RCCFBDPRSA-N 1 0 383.330 2.716 20 0 GFADRO C[C@@]1(C[NH3+])CCN(C(=O)C(=O)Nc2cccc(Cl)c2SC(F)F)C1 ZINC000841235521 661247026 /nfs/dbraw/zinc/24/70/26/661247026.db2.gz WNSFTORAWACVEB-HNNXBMFYSA-N 1 0 377.844 2.791 20 0 GFADRO O=C(NCC[C@H]1CC[NH2+]C1)Nc1cc(C(F)(F)F)cc(Br)n1 ZINC000841241975 661248090 /nfs/dbraw/zinc/24/80/90/661248090.db2.gz SOUZHFMIEJUJDJ-MRVPVSSYSA-N 1 0 381.196 2.984 20 0 GFADRO CC[NH+]1CCN(Cc2ccccc2CNC(=O)c2csc(Cl)n2)CC1 ZINC000771612740 656357172 /nfs/dbraw/zinc/35/71/72/656357172.db2.gz ZIHMGCIQWOALEL-UHFFFAOYSA-N 1 0 378.929 2.864 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(=O)c2cc(Br)ccc2o1 ZINC000841377311 661255780 /nfs/dbraw/zinc/25/57/80/661255780.db2.gz LYTZCHUDRBVXDZ-GFCCVEGCSA-N 1 0 379.254 2.770 20 0 GFADRO CC[NH+](CC)CCOC(=O)[C@H]1CCCN1C(=O)c1ccc(Br)cc1 ZINC000772065990 656372158 /nfs/dbraw/zinc/37/21/58/656372158.db2.gz TXIKRSJATVKOJT-MRXNPFEDSA-N 1 0 397.313 2.939 20 0 GFADRO NC(=O)NC(=O)OCCC[N@@H+]1CCC[C@@H]1Cc1ccc(Br)cc1 ZINC000772173651 656374604 /nfs/dbraw/zinc/37/46/04/656374604.db2.gz CRLLBANBVZAZME-CQSZACIVSA-N 1 0 384.274 2.651 20 0 GFADRO C[C@@H](CNC(=O)c1cc(=O)c2cc(Br)ccc2o1)[N@H+](C)C1CC1 ZINC000841388544 661258205 /nfs/dbraw/zinc/25/82/05/661258205.db2.gz HNZLNXDTQRSKLQ-JTQLQIEISA-N 1 0 379.254 2.768 20 0 GFADRO C[C@H](CNS(=O)(=O)c1ccc2nc(Cl)cnc2c1)[N@@H+]1CCCC[C@H]1C ZINC000772919224 656393484 /nfs/dbraw/zinc/39/34/84/656393484.db2.gz KXWLQOTXVZLZMF-CHWSQXEVSA-N 1 0 382.917 2.824 20 0 GFADRO COCC[N@@H+]1CC[C@H](NC(=O)Cc2sc(SC3CCCC3)nc2C)C1 ZINC000841390739 661258508 /nfs/dbraw/zinc/25/85/08/661258508.db2.gz IJMCLJWICDYVMM-AWEZNQCLSA-N 1 0 383.583 2.866 20 0 GFADRO CC(C)C[N@@H+]1CCC[C@H](CNS(=O)(=O)c2c(Cl)nc3sccn32)C1 ZINC000772949950 656395217 /nfs/dbraw/zinc/39/52/17/656395217.db2.gz IDEBKZWPYZJHPD-GFCCVEGCSA-N 1 0 390.962 2.696 20 0 GFADRO CCNS(=O)(=O)CC[NH2+][C@@H](C)c1sc(-c2ccc(OC)cc2)nc1C ZINC000772980645 656396401 /nfs/dbraw/zinc/39/64/01/656396401.db2.gz ZZYYFRWOWDUVJO-LBPRGKRZSA-N 1 0 383.539 2.717 20 0 GFADRO Cc1nc(SC2CCCC2)sc1CC(=O)NCC[N@@H+]1CCCOCC1 ZINC000841427042 661263831 /nfs/dbraw/zinc/26/38/31/661263831.db2.gz NGJWLUZIZLTLAJ-UHFFFAOYSA-N 1 0 383.583 2.867 20 0 GFADRO CCC(C)(C)NC(=S)N(CC[NH+](C(C)C)C(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000774154480 656497488 /nfs/dbraw/zinc/49/74/88/656497488.db2.gz WQAWZCRPMIAKBN-INIZCTEOSA-N 1 0 391.647 2.657 20 0 GFADRO C[NH+](C)[C@@]1(CNS(=O)(=O)c2ccc3sc(Cl)nc3c2)CCSC1 ZINC000841499943 661275328 /nfs/dbraw/zinc/27/53/28/661275328.db2.gz AFKPNCQOYBZSAH-CQSZACIVSA-N 1 0 391.971 2.665 20 0 GFADRO COc1ccc([C@@H](C)[NH2+]CC(=O)NCc2ccccn2)cc1Br ZINC000774829177 656560629 /nfs/dbraw/zinc/56/06/29/656560629.db2.gz GGHFUCVPFTWWCO-GFCCVEGCSA-N 1 0 378.270 2.820 20 0 GFADRO OC[C@@H]1CCN(Cc2ccccc2)C[C@@H]1[NH2+][C@@H]1CC[C@H]2SCCS[C@@H]12 ZINC000775391641 656636406 /nfs/dbraw/zinc/63/64/06/656636406.db2.gz CFCFEAGIWXIDLC-YHDCXSKOSA-N 1 0 378.607 2.839 20 0 GFADRO Cc1cc(S(=O)(=O)NCC[NH2+][C@@H]2CC[C@H]3SCCS[C@H]23)c(C)s1 ZINC000775415622 656638165 /nfs/dbraw/zinc/63/81/65/656638165.db2.gz TVXKUWDHDWLLRO-UMVBOHGHSA-N 1 0 392.637 2.612 20 0 GFADRO C[NH+](C)CCOc1ccc(CNC(=O)c2scnc2Br)cc1 ZINC000777796809 656835829 /nfs/dbraw/zinc/83/58/29/656835829.db2.gz FLBPZYKTIKHNQF-UHFFFAOYSA-N 1 0 384.299 2.776 20 0 GFADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2scnc2Br)[C@H](C)C1 ZINC000777863253 656839671 /nfs/dbraw/zinc/83/96/71/656839671.db2.gz XTLQZCKOSPKXBN-NEPJUHHUSA-N 1 0 390.347 2.772 20 0 GFADRO C[NH+](C)CCCNC(=S)N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000777916945 656842141 /nfs/dbraw/zinc/84/21/41/656842141.db2.gz GDOQCEREPSHCNI-AWEZNQCLSA-N 1 0 389.352 2.515 20 0 GFADRO C[NH+](C)C[C@@H](Cc1ccccc1)NS(=O)(=O)c1c(Cl)ccnc1Cl ZINC000777972748 656848209 /nfs/dbraw/zinc/84/82/09/656848209.db2.gz XVGURTUEOYILJB-CYBMUJFWSA-N 1 0 388.320 2.840 20 0 GFADRO COC1CC[NH+](C(C)(C)CNC(=O)c2nc(Br)cs2)CC1 ZINC000779769140 656941155 /nfs/dbraw/zinc/94/11/55/656941155.db2.gz OYJCUVVZBNTXDF-UHFFFAOYSA-N 1 0 376.320 2.525 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2Cn1nc(C(F)(F)F)sc1=S ZINC000780443485 657006534 /nfs/dbraw/zinc/00/65/34/657006534.db2.gz JYZLVFKCTHHJMQ-OUAUKWLOSA-N 1 0 382.477 2.834 20 0 GFADRO O=C(c1ccnc(Br)c1)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000780773814 657028051 /nfs/dbraw/zinc/02/80/51/657028051.db2.gz DHRARKHHNRBIRA-UHFFFAOYSA-N 1 0 396.329 2.809 20 0 GFADRO O=C(NCc1ccccc1C[N@H+]1CCC[C@@H]1CO)NC[C@H]1CC1(Cl)Cl ZINC000781921563 657089630 /nfs/dbraw/zinc/08/96/30/657089630.db2.gz UAIXYBLNCBKOOL-HZPDHXFCSA-N 1 0 386.323 2.636 20 0 GFADRO NC(=O)[C@H]1CCCC[C@@H]1[NH2+]Cc1nnc(-c2ccc(Br)s2)o1 ZINC000782536439 657155484 /nfs/dbraw/zinc/15/54/84/657155484.db2.gz ZXYDNEZJYHWFSW-IUCAKERBSA-N 1 0 385.287 2.694 20 0 GFADRO COCC[NH+]1CCC(NC(=S)Nc2cccc(OC(F)(F)F)c2)CC1 ZINC000783733230 657256005 /nfs/dbraw/zinc/25/60/05/657256005.db2.gz XELVWRGXPBBMEN-UHFFFAOYSA-N 1 0 377.432 2.982 20 0 GFADRO Cn1nc(Br)cc1CNc1ccc(N2CCC([NH+](C)C)CC2)cn1 ZINC000784299570 657300444 /nfs/dbraw/zinc/30/04/44/657300444.db2.gz JOUKNYJSEGOPLP-UHFFFAOYSA-N 1 0 393.333 2.720 20 0 GFADRO Cn1nc(Br)cc1C[NH2+]C[C@H](CO)Cc1cc(F)c(F)c(F)c1 ZINC000785522920 657372015 /nfs/dbraw/zinc/37/20/15/657372015.db2.gz XSRYBALERDNHQU-SNVBAGLBSA-N 1 0 392.219 2.541 20 0 GFADRO Cn1ncc(C(=O)N(CC[NH+]2CCCC2)Cc2ccc(Cl)c(Cl)c2)n1 ZINC000786000622 657399295 /nfs/dbraw/zinc/39/92/95/657399295.db2.gz CEENXAFGCICUOL-UHFFFAOYSA-N 1 0 382.295 2.860 20 0 GFADRO C[NH+](C)CCc1ccc(CNS(=O)(=O)c2c(Cl)nc3sccn32)cc1 ZINC000786127508 657407737 /nfs/dbraw/zinc/40/77/37/657407737.db2.gz VWXGTZMGZNABJJ-UHFFFAOYSA-N 1 0 398.941 2.632 20 0 GFADRO O=C(NC[C@@](O)(c1ccc(Cl)cc1)C(F)(F)F)[C@H]1CCC[N@@H+]1C1CC1 ZINC000787413147 657553232 /nfs/dbraw/zinc/55/32/32/657553232.db2.gz GHNXBDOQDXSMIK-GDBMZVCRSA-N 1 0 376.806 2.833 20 0 GFADRO CC[NH+](CC)[C@H](CNC(=O)C(=O)N[C@@H]1CC[C@H](SC)C1)c1ccsc1 ZINC000787614469 657576726 /nfs/dbraw/zinc/57/67/26/657576726.db2.gz DUPVCMRMSCFDNU-OWCLPIDISA-N 1 0 383.583 2.648 20 0 GFADRO COc1cc(C(=O)NCc2cccc(C[NH+](C)C)c2)cnc1Br ZINC000788158361 657661875 /nfs/dbraw/zinc/66/18/75/657661875.db2.gz IYMFQMIULVCQEE-UHFFFAOYSA-N 1 0 378.270 2.844 20 0 GFADRO O=c1c(Br)nn(C[N@@H+]2CC[C@@]3(C2)CCCOC3)c2ccccc12 ZINC000789545034 657862060 /nfs/dbraw/zinc/86/20/60/657862060.db2.gz JTHFAZIYTNWZSX-QGZVFWFLSA-N 1 0 378.270 2.619 20 0 GFADRO Cn1nc(Br)cc1C(=O)Nc1cccc2c1OCC[C@H]2[NH+](C)C ZINC000790234319 657939887 /nfs/dbraw/zinc/93/98/87/657939887.db2.gz DYVAWURHDJZCKH-GFCCVEGCSA-N 1 0 379.258 2.820 20 0 GFADRO CC[N@H+](C[C@H]1CCOC1)Cn1ncc2c1ccc(Br)c2C(=O)OC ZINC000790446811 657981176 /nfs/dbraw/zinc/98/11/76/657981176.db2.gz QSAOXZZGLAYISE-GFCCVEGCSA-N 1 0 396.285 2.901 20 0 GFADRO CC(C)[C@H](C[NH+](C)C)NC(=O)c1nc(Br)ccc1Br ZINC000790632677 658005412 /nfs/dbraw/zinc/00/54/12/658005412.db2.gz AATZARVTUZLHKW-JTQLQIEISA-N 1 0 393.123 2.923 20 0 GFADRO CCN1CC[NH+](CCCCNC(=O)N2CC[C@@]3(C)[C@@H](C2)C3(Cl)Cl)CC1 ZINC000790670203 658011234 /nfs/dbraw/zinc/01/12/34/658011234.db2.gz AQHXOZNVHMBDAZ-WBVHZDCISA-N 1 0 391.387 2.629 20 0 GFADRO CC[NH+](CC)C[C@H](C)NS(=O)(=O)c1ccc(Br)c(C(C)=O)c1 ZINC000790879673 658039068 /nfs/dbraw/zinc/03/90/68/658039068.db2.gz JFYSGYOYGMRCML-NSHDSACASA-N 1 0 391.331 2.660 20 0 GFADRO C[NH+](C)CCCOC(=O)CSCC(=O)Nc1cccc(Br)c1 ZINC000791779640 658175769 /nfs/dbraw/zinc/17/57/69/658175769.db2.gz RLDDVXMUGURGGD-UHFFFAOYSA-N 1 0 389.315 2.616 20 0 GFADRO COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)NC[C@@H](C)[NH+]1CCCCC1 ZINC000792209908 658251316 /nfs/dbraw/zinc/25/13/16/658251316.db2.gz FEZYUIDVAIYBJJ-LLVKDONJSA-N 1 0 388.295 2.931 20 0 GFADRO C[C@H]1CCC[N@@H+]1CCNC(=O)C(=O)Nc1cccc(Cl)c1Br ZINC000792236191 658255044 /nfs/dbraw/zinc/25/50/44/658255044.db2.gz WRHRBDKVGIRJSE-JTQLQIEISA-N 1 0 388.693 2.642 20 0 GFADRO COC(=O)CC[N@H+](C/C=C(\C)C(=O)OC)Cc1cccc(Br)c1 ZINC000792326400 658269058 /nfs/dbraw/zinc/26/90/58/658269058.db2.gz GGKREGVAEHDKCY-NTUHNPAUSA-N 1 0 384.270 2.934 20 0 GFADRO NC(=O)[C@@H](OC(=O)c1ccc2c[nH+]cn2c1)c1ccc(Br)cc1F ZINC000792554050 658300143 /nfs/dbraw/zinc/30/01/43/658300143.db2.gz UQGWRLGQKSZTQM-AWEZNQCLSA-N 1 0 392.184 2.619 20 0 GFADRO CN(C)S(=O)(=O)c1ccc(CN2CC[C@@]3(C)[C@@H](C2)C3(Cl)Cl)cc1 ZINC000792904926 658329175 /nfs/dbraw/zinc/32/91/75/658329175.db2.gz MXOOEHGZFROBSS-CABCVRRESA-N 1 0 377.337 2.953 20 0 GFADRO CC1(C)[C@H](Oc2ccccc2)C[C@@H]1[NH2+]CCNS(=O)(=O)c1cccs1 ZINC000793551079 658404025 /nfs/dbraw/zinc/40/40/25/658404025.db2.gz UDRQXEJEOSFKRB-JKSUJKDBSA-N 1 0 380.535 2.862 20 0 GFADRO C[C@@H](C[C@H]1CCOC1)[NH2+]CC(=O)Nc1ccc(I)cc1 ZINC000793576818 658407479 /nfs/dbraw/zinc/40/74/79/658407479.db2.gz ZDKANLPBLKWMOR-NWDGAFQWSA-N 1 0 388.249 2.634 20 0 GFADRO COc1c[nH+]ccc1N1CCN(C(=O)c2ccc(C)nc2Br)CC1 ZINC000794338460 658518754 /nfs/dbraw/zinc/51/87/54/658518754.db2.gz FVSLBLBJUCCDKZ-UHFFFAOYSA-N 1 0 391.269 2.519 20 0 GFADRO Cc1ccc(NC(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)nc1Br ZINC000794359977 658528371 /nfs/dbraw/zinc/52/83/71/658528371.db2.gz UCVGMHRYZKLILL-CQSZACIVSA-N 1 0 397.317 2.729 20 0 GFADRO Cc1ccc(NC(=O)N2CC[N@H+](C3CCOCC3)C[C@H]2C)nc1Br ZINC000794367588 658532569 /nfs/dbraw/zinc/53/25/69/658532569.db2.gz MBMMGQHYLPMSCG-CYBMUJFWSA-N 1 0 397.317 2.870 20 0 GFADRO CCS[C@@H]1CCC[C@H]1[NH2+]CC(=O)Nc1ccccc1S(=O)(=O)C(F)F ZINC000794605927 658575148 /nfs/dbraw/zinc/57/51/48/658575148.db2.gz UDSOPJJJBLQHDS-DGCLKSJQSA-N 1 0 392.493 2.885 20 0 GFADRO Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)[NH2+]C[C@H](O)c1ccc(Cl)cc1 ZINC000794793483 658615351 /nfs/dbraw/zinc/61/53/51/658615351.db2.gz ORFQZJZUILKPES-GUYCJALGSA-N 1 0 382.913 2.988 20 0 GFADRO C[N@@H+]1CC[C@H]2[C@H](CCCN2CN2Cc3cccc(Br)c3C2=O)C1 ZINC000795438261 658818966 /nfs/dbraw/zinc/81/89/66/658818966.db2.gz RVFKANJEDNATMB-CJNGLKHVSA-N 1 0 378.314 2.779 20 0 GFADRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2CN2Cc3cccc(Br)c3C2=O)C1 ZINC000795438256 658819037 /nfs/dbraw/zinc/81/90/37/658819037.db2.gz RVFKANJEDNATMB-BBRMVZONSA-N 1 0 378.314 2.779 20 0 GFADRO COC(=O)c1cc(S(=O)(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)c(F)cc1Cl ZINC000795880228 658866618 /nfs/dbraw/zinc/86/66/18/658866618.db2.gz JCUAEKZTOVFCMM-JTQLQIEISA-N 1 0 394.896 2.520 20 0 GFADRO Cc1nc(F)ccc1C[NH2+]CCNS(=O)(=O)c1cccc(Cl)c1Cl ZINC000796469888 658919038 /nfs/dbraw/zinc/91/90/38/658919038.db2.gz LBZKYIPUKWJISA-UHFFFAOYSA-N 1 0 392.283 2.904 20 0 GFADRO CCc1nnc(NC(=O)[C@H](C)[C@@H](C)[NH2+]Cc2c(Cl)nc(Cl)n2C)s1 ZINC000796528200 658921574 /nfs/dbraw/zinc/92/15/74/658921574.db2.gz FCHYXDADLCNVQX-HTQZYQBOSA-N 1 0 391.328 2.894 20 0 GFADRO CNC(=O)C[C@H]([NH2+]C[C@H](O)c1ccc(Br)cc1)c1ccccc1 ZINC000796615127 658927703 /nfs/dbraw/zinc/92/77/03/658927703.db2.gz YXZUISIOARPQPT-IRXDYDNUSA-N 1 0 377.282 2.950 20 0 GFADRO C[NH+]1CCC2(CCCN(C(=O)C(=O)c3ccc(Br)cc3)C2)CC1 ZINC000799030031 659161210 /nfs/dbraw/zinc/16/12/10/659161210.db2.gz LGLHTAPVRPKEMU-UHFFFAOYSA-N 1 0 379.298 2.966 20 0 GFADRO O=c1cc(C[N@@H+]2CC[C@H](c3ccccn3)C2)nc2ccc(Br)cn12 ZINC000799192291 659172705 /nfs/dbraw/zinc/17/27/05/659172705.db2.gz AKSZINPCUCDZID-ZDUSSCGKSA-N 1 0 385.265 2.842 20 0 GFADRO CC[NH+](CC)CCSCC(=O)NC[C@H](O)c1cccc(Br)c1 ZINC000800584883 659319685 /nfs/dbraw/zinc/31/96/85/659319685.db2.gz IPWTZAJDGJHAHQ-HNNXBMFYSA-N 1 0 389.359 2.674 20 0 GFADRO Cc1nn(C)c(Br)c1C(=O)NCCC[N@H+](C)Cc1ccccc1 ZINC000800804764 659332214 /nfs/dbraw/zinc/33/22/14/659332214.db2.gz IHJQBYNQABJJJC-UHFFFAOYSA-N 1 0 379.302 2.743 20 0 GFADRO O=C1CCc2cc(Cl)c(S(=O)(=O)NC3CC[NH+](CC4CC4)CC3)cc21 ZINC000800900945 659345147 /nfs/dbraw/zinc/34/51/47/659345147.db2.gz KYMBDFLKWAWADG-UHFFFAOYSA-N 1 0 382.913 2.622 20 0 GFADRO Cc1nn(C)c(Br)c1C(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C ZINC000801078861 659366327 /nfs/dbraw/zinc/36/63/27/659366327.db2.gz UPSGOUBIWBKQKO-ZDUSSCGKSA-N 1 0 383.265 2.663 20 0 GFADRO O=C(COC(=O)C1CC[NH+](C2CC2)CC1)Cc1ccc(Br)cc1 ZINC000801872117 659432351 /nfs/dbraw/zinc/43/23/51/659432351.db2.gz USHIJKSJHVGDBS-UHFFFAOYSA-N 1 0 380.282 2.978 20 0 GFADRO C[C@H]([NH2+]C[C@@H](O)c1cccc(Br)c1)c1cccc(-n2cnnn2)c1 ZINC000802316079 659476077 /nfs/dbraw/zinc/47/60/77/659476077.db2.gz IKCXZDCGLYALAU-YVEFUNNKSA-N 1 0 388.269 2.809 20 0 GFADRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2CN2Cc3c(cccc3Br)C2=O)C1 ZINC000802734942 659501560 /nfs/dbraw/zinc/50/15/60/659501560.db2.gz WIQXKTCRHGFSNB-CXAGYDPISA-N 1 0 378.314 2.779 20 0 GFADRO Cc1nc(SC(F)(F)F)sc1CC(=O)N[C@H]1CCc2cncn2C1 ZINC000804335047 659635369 /nfs/dbraw/zinc/63/53/69/659635369.db2.gz QCGMMYFFXCXDII-VIFPVBQESA-N 1 0 376.429 2.934 20 0 GFADRO CC[N@@H+]1CCN(C(=O)/C=C\c2cc(Br)c(O)c(OC)c2)[C@@H](C)C1 ZINC000804380319 659640781 /nfs/dbraw/zinc/64/07/81/659640781.db2.gz HOBONXGZKRYDDA-FJOGCWAESA-N 1 0 383.286 2.729 20 0 GFADRO Brc1cnc(Br)c(NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c1 ZINC000804396174 659642476 /nfs/dbraw/zinc/64/24/76/659642476.db2.gz DACZBEQXCLNYQU-GHMZBOCLSA-N 1 0 391.107 2.882 20 0 GFADRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(S(=O)(=O)c2cnc(Cl)c(F)c2)C1 ZINC000805018275 659717945 /nfs/dbraw/zinc/71/79/45/659717945.db2.gz FEOWUEGZSJUEFS-CQSZACIVSA-N 1 0 383.876 2.769 20 0 GFADRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F ZINC000805111174 659741292 /nfs/dbraw/zinc/74/12/92/659741292.db2.gz SLUAFBUZDRNPJL-DTWKUNHWSA-N 1 0 384.370 2.629 20 0 GFADRO CCN(CCC[NH+](CC)CC)C(=O)c1cccnc1I ZINC000807368781 659852693 /nfs/dbraw/zinc/85/26/93/659852693.db2.gz LQAAQODTRMDBNL-UHFFFAOYSA-N 1 0 389.281 2.880 20 0 GFADRO CC[NH+]1CCN(c2ccc(C(=O)N(C)CC(F)(F)Br)cc2)CC1 ZINC000807866638 659868695 /nfs/dbraw/zinc/86/86/95/659868695.db2.gz NOBLMHBFWMOPBM-UHFFFAOYSA-N 1 0 390.272 2.888 20 0 GFADRO O=C(/C=C/c1cc(C(F)(F)F)ccc1Cl)N[C@H](CO)C[NH+]1CCCC1 ZINC000808221496 659882908 /nfs/dbraw/zinc/88/29/08/659882908.db2.gz QWUZXVVPUHINLD-ZRFDWSJLSA-N 1 0 376.806 2.945 20 0 GFADRO CCNS(=O)(=O)CC[NH2+][C@H](c1ccc(OC)cc1Br)C(C)C ZINC000810225413 659967203 /nfs/dbraw/zinc/96/72/03/659967203.db2.gz CWZDOSWPZHGBSC-HNNXBMFYSA-N 1 0 393.347 2.684 20 0 GFADRO O=C(O[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(Br)cc1-n1cncn1 ZINC000810848952 659988438 /nfs/dbraw/zinc/98/84/38/659988438.db2.gz XUMBATVMFNBKEA-KGLIPLIRSA-N 1 0 391.269 2.813 20 0 GFADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)c1cc(C(F)(F)F)cc(Cl)n1 ZINC000811136391 659999884 /nfs/dbraw/zinc/99/98/84/659999884.db2.gz FVVUNJCCWDIOPW-LLVKDONJSA-N 1 0 378.826 2.510 20 0 GFADRO O=S(=O)(C(F)F)N1CCC(C[NH2+]Cc2ccnc(Cl)c2Cl)CC1 ZINC000811479303 660009886 /nfs/dbraw/zinc/00/98/86/660009886.db2.gz DLUXPEXDMDYDTM-UHFFFAOYSA-N 1 0 388.267 2.742 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)Nc2ccc(I)cn2)C1 ZINC000813020882 660040539 /nfs/dbraw/zinc/04/05/39/660040539.db2.gz DTZVJKIQQVINPX-CQSZACIVSA-N 1 0 391.228 2.837 20 0 GFADRO COC(=O)c1ccc(CNC(=O)CC2CC[NH+](C)CC2)c(Br)c1 ZINC000813532066 660056533 /nfs/dbraw/zinc/05/65/33/660056533.db2.gz RKMPFEZJGJWIKN-UHFFFAOYSA-N 1 0 383.286 2.584 20 0 GFADRO COc1c(Br)cc(Cl)cc1S(=O)(=O)NC[C@H](C)C[NH+](C)C ZINC000813728859 660062302 /nfs/dbraw/zinc/06/23/02/660062302.db2.gz FYWPMWYXRCNRMP-VIFPVBQESA-N 1 0 399.738 2.587 20 0 GFADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)C1(Cc2ccccc2Br)CC1 ZINC000814108725 660073226 /nfs/dbraw/zinc/07/32/26/660073226.db2.gz HACHJWXCCAFEAO-HZPDHXFCSA-N 1 0 393.325 2.751 20 0 GFADRO CN1CCc2nc(NC(=O)c3cn4c(Br)cnc4s3)sc2C1 ZINC000815075520 660109782 /nfs/dbraw/zinc/10/97/82/660109782.db2.gz FVRIRXRUWUBOLU-UHFFFAOYSA-N 1 0 398.311 2.855 20 0 GFADRO CC(=O)NCCC[NH2+]C1(Cc2ccc(F)cc2Br)CCOCC1 ZINC000815124603 660113856 /nfs/dbraw/zinc/11/38/56/660113856.db2.gz DQUYWKSNJCSMOL-UHFFFAOYSA-N 1 0 387.293 2.796 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cn3c(Br)cnc3s2)[C@H](C)C1 ZINC000815684445 660128354 /nfs/dbraw/zinc/12/83/54/660128354.db2.gz OKWJCLGIIRIOQK-MNOVXSKESA-N 1 0 385.331 2.961 20 0 GFADRO C[NH+]1CCC(ONC(=O)CCCC(=O)c2ccc(Br)cc2)CC1 ZINC000816532957 660160396 /nfs/dbraw/zinc/16/03/96/660160396.db2.gz CYPNODHFEZVTQS-UHFFFAOYSA-N 1 0 383.286 2.944 20 0 GFADRO C[C@@H]1C[NH+](CCCNC(=O)c2cnc(Cl)c(Br)c2)C[C@@H](C)O1 ZINC000816838860 660170336 /nfs/dbraw/zinc/17/03/36/660170336.db2.gz MMMBJBSWGHCKDG-GHMZBOCLSA-N 1 0 390.709 2.727 20 0 GFADRO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)N1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000816952709 660174263 /nfs/dbraw/zinc/17/42/63/660174263.db2.gz QGALZEQSCNYOGB-SMDDNHRTSA-N 1 0 391.265 2.640 20 0 GFADRO CN(C(=O)NCCC(=O)Nc1ccc(Br)cc1)C1CCC([NH3+])CC1 ZINC000841727617 661311153 /nfs/dbraw/zinc/31/11/53/661311153.db2.gz SWZBWEUTOXWLDV-UHFFFAOYSA-N 1 0 397.317 2.689 20 0 GFADRO O=C(NCCOc1ccc(Br)cc1)N1CCC2(C1)CC[NH2+]CC2 ZINC000841751064 661311695 /nfs/dbraw/zinc/31/16/95/661311695.db2.gz WBXRCDFVZJUSOQ-UHFFFAOYSA-N 1 0 382.302 2.613 20 0 GFADRO [NH3+]CCc1ccc(CNC(=O)NCCc2ccccc2Br)cc1 ZINC000841761114 661311808 /nfs/dbraw/zinc/31/18/08/661311808.db2.gz DBWJAQFRJVIFAX-UHFFFAOYSA-N 1 0 376.298 2.992 20 0 GFADRO Cc1cc(NC(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cc(F)c1Br ZINC000841790285 661313402 /nfs/dbraw/zinc/31/34/02/661313402.db2.gz BQDZXPXNYWRMRJ-CHWSQXEVSA-N 1 0 386.265 2.881 20 0 GFADRO CC(C)C[C@H](C[NH3+])NC(=O)N1CCO[C@H](c2ccccc2Br)C1 ZINC000841953776 661318130 /nfs/dbraw/zinc/31/81/30/661318130.db2.gz LNBLDOKRLMADFE-CJNGLKHVSA-N 1 0 384.318 2.905 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H](NC(=O)N2CCO[C@H](c3ccccc3Br)C2)C1 ZINC000841982365 661318863 /nfs/dbraw/zinc/31/88/63/661318863.db2.gz VQDBMZKBAIBGDE-IOASZLSFSA-N 1 0 382.302 2.802 20 0 GFADRO [NH3+]C[C@H]1CC[C@H](CNC(=O)NC[C@@H](O)c2ccccc2Br)CC1 ZINC000841996102 661319294 /nfs/dbraw/zinc/31/92/94/661319294.db2.gz MMXIHUQFKFVUTD-XJKCOSOUSA-N 1 0 384.318 2.547 20 0 GFADRO C[NH2+][C@H](C)Cc1noc(-c2nc(Br)ccc2Br)n1 ZINC000842630784 661346473 /nfs/dbraw/zinc/34/64/73/661346473.db2.gz HFHUCQFIQCQQBC-ZCFIWIBFSA-N 1 0 376.052 2.807 20 0 GFADRO Ic1ccc(OCc2nc([C@H]3CCC[NH2+]C3)no2)cc1 ZINC000842663257 661347886 /nfs/dbraw/zinc/34/78/86/661347886.db2.gz YNIMOWAZOTYPAL-JTQLQIEISA-N 1 0 385.205 2.720 20 0 GFADRO O=C1[C@H](c2nc([C@@H]3CCC[NH2+]C3)no2)CCN1c1cccc(Br)c1 ZINC000842664371 661347923 /nfs/dbraw/zinc/34/79/23/661347923.db2.gz CYVFRKROHQFZSB-RISCZKNCSA-N 1 0 391.269 2.820 20 0 GFADRO C[NH2+]CC1CCN(S(=O)(=O)c2c(OC)ccc3nc(Cl)ccc32)CC1 ZINC000842710693 661350414 /nfs/dbraw/zinc/35/04/14/661350414.db2.gz BUZQJUMKQOCNKV-UHFFFAOYSA-N 1 0 383.901 2.517 20 0 GFADRO CC(C)[N@@H+]1CCC[C@H](COC(=O)c2ccccc2S(=O)(=O)C(F)F)C1 ZINC000842828228 661356613 /nfs/dbraw/zinc/35/66/13/661356613.db2.gz FMFMLWILVOYCIJ-ZDUSSCGKSA-N 1 0 375.437 2.960 20 0 GFADRO O=S(=O)(/C=C/c1ccccc1Br)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000842859867 661357451 /nfs/dbraw/zinc/35/74/51/661357451.db2.gz ANQHECMZOLYQQU-RFKZRZAASA-N 1 0 385.327 2.825 20 0 GFADRO O=S(=O)(c1ccc2nc(Cl)sc2c1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000842870116 661357921 /nfs/dbraw/zinc/35/79/21/661357921.db2.gz SREXDGHWNZQDNI-GFCCVEGCSA-N 1 0 385.942 2.960 20 0 GFADRO C[C@H]([NH3+])C[C@H](C)NC(=O)Nc1cnc(Br)c(Br)c1 ZINC000843042257 661365354 /nfs/dbraw/zinc/36/53/54/661365354.db2.gz QCLRTLAEMZATHS-BQBZGAKWSA-N 1 0 380.084 2.854 20 0 GFADRO O[C@H](C[NH2+]C[C@@H](O)c1ccccc1C(F)(F)F)COCc1cccs1 ZINC000843071858 661366338 /nfs/dbraw/zinc/36/63/38/661366338.db2.gz ZPSAOTJVFRBIBV-MLGOLLRUSA-N 1 0 375.412 2.968 20 0 GFADRO O[C@H](C[NH2+]C[C@@H](O)c1cccc(C(F)(F)F)c1)COCc1cccs1 ZINC000843072347 661366408 /nfs/dbraw/zinc/36/64/08/661366408.db2.gz GZMZAXMFMFMPTP-GDBMZVCRSA-N 1 0 375.412 2.968 20 0 GFADRO Cc1nc(C[NH2+]C[C@H](O)COc2ccc(Br)cc2)ccc1[C@H](C)O ZINC000843106054 661368348 /nfs/dbraw/zinc/36/83/48/661368348.db2.gz KGFDEUGLMFCTCF-BBRMVZONSA-N 1 0 395.297 2.735 20 0 GFADRO OCC[C@@H](Cc1ccccc1)[NH2+]C[C@H](O)COc1cccc(Br)c1 ZINC000843115249 661369315 /nfs/dbraw/zinc/36/93/15/661369315.db2.gz SIAUDHQXTYKZTN-ROUUACIJSA-N 1 0 394.309 2.772 20 0 GFADRO Cc1ccc(C[C@@H](CO)C[NH2+]C[C@@H](O)c2ccc(F)cn2)cc1Br ZINC000843115012 661369366 /nfs/dbraw/zinc/36/93/66/661369366.db2.gz FNTDVEIOUYRLJZ-RDTXWAMCSA-N 1 0 397.288 2.766 20 0 GFADRO O=C(CC[NH2+][C@H]1COc2ccccc2[C@H]1O)Nc1ccc(Br)cc1 ZINC000843116700 661369618 /nfs/dbraw/zinc/36/96/18/661369618.db2.gz NQZLACMVMTZCNA-MAUKXSAKSA-N 1 0 391.265 2.862 20 0 GFADRO OCC1([C@H]([NH2+]C[C@@H](O)c2ccccc2Br)[C@@H]2CCCO2)CCC1 ZINC000843119223 661370113 /nfs/dbraw/zinc/37/01/13/661370113.db2.gz RPSGWMNCVQDKEI-IXDOHACOSA-N 1 0 384.314 2.782 20 0 GFADRO C[NH2+]C[C@@H](C)c1nc(Cc2cccc(F)c2I)no1 ZINC000843210491 661372912 /nfs/dbraw/zinc/37/29/12/661372912.db2.gz WLABKCJFKMPKTF-MRVPVSSYSA-N 1 0 375.185 2.727 20 0 GFADRO Fc1cccc(Cc2noc([C@]3(F)CC[NH2+]C3)n2)c1I ZINC000843209789 661372962 /nfs/dbraw/zinc/37/29/62/661372962.db2.gz RWNGMBKJEBOAKP-ZDUSSCGKSA-N 1 0 391.159 2.562 20 0 GFADRO CC(C)[NH2+]CCc1nc(COc2ccc(I)cc2)no1 ZINC000843227329 661373974 /nfs/dbraw/zinc/37/39/74/661373974.db2.gz YUNPSIBMZNKQKQ-UHFFFAOYSA-N 1 0 387.221 2.794 20 0 GFADRO CC(C)N(Cc1ccc(Br)cc1)C(=O)C(=O)NCCCCCC[NH3+] ZINC000843261324 661374713 /nfs/dbraw/zinc/37/47/13/661374713.db2.gz IMCSIOJXSSXXTJ-UHFFFAOYSA-N 1 0 398.345 2.821 20 0 GFADRO CC[C@H](CNC(=O)CO[C@@H]1CCC[NH2+]C1)Cc1cccc(Br)c1 ZINC000843442667 661381740 /nfs/dbraw/zinc/38/17/40/661381740.db2.gz CCJRZYODBRRPBE-WMLDXEAASA-N 1 0 383.330 2.903 20 0 GFADRO CCc1ccc([C@H]2C[NH2+]CCN2C(=O)c2[nH]nc(C)c2Br)cc1 ZINC000843472388 661382636 /nfs/dbraw/zinc/38/26/36/661382636.db2.gz HIZPUMJCTMPJFI-CQSZACIVSA-N 1 0 377.286 2.830 20 0 GFADRO COC(=O)[C@H]1C[NH2+]CCCN1C(=O)c1ccc(C2SCCCS2)cc1 ZINC000843477974 661382972 /nfs/dbraw/zinc/38/29/72/661382972.db2.gz MTWSUJKHTCGJOX-OAHLLOKOSA-N 1 0 380.535 2.532 20 0 GFADRO O=C(/C=C/c1ccc(I)o1)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000843508571 661383675 /nfs/dbraw/zinc/38/36/75/661383675.db2.gz XRLDQKHOKHVRKT-TZNOJPMFSA-N 1 0 386.233 2.688 20 0 GFADRO O=C1C=C(c2ccc(Br)cc2)CN1CN1CC[C@@H]([NH+]2CCCC2)C1 ZINC000844692885 661433950 /nfs/dbraw/zinc/43/39/50/661433950.db2.gz ZXCBFXKGWOIKLT-GOSISDBHSA-N 1 0 390.325 2.802 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(Cc3nc4ccccn4c3Br)C2)C1 ZINC000844900945 661448409 /nfs/dbraw/zinc/44/84/09/661448409.db2.gz BZRQBXIQIJGSDY-FMKPAKJESA-N 1 0 393.329 2.815 20 0 GFADRO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCN(Cc3nc4ccccn4c3Br)C2)C1 ZINC000844900948 661448422 /nfs/dbraw/zinc/44/84/22/661448422.db2.gz BZRQBXIQIJGSDY-IIAWOOMASA-N 1 0 393.329 2.815 20 0 GFADRO COCC[N@@H+]1CCN(C(=O)Cc2sc(SC(F)F)nc2C)C(C)(C)C1 ZINC000844948681 661450214 /nfs/dbraw/zinc/45/02/14/661450214.db2.gz DDRZODOJBFRHBA-UHFFFAOYSA-N 1 0 393.525 2.878 20 0 GFADRO CN1CC[NH+](CC2CCN(C(=O)NCCC[C@@H]3CC3(Cl)Cl)CC2)CC1 ZINC000845673679 661488518 /nfs/dbraw/zinc/48/85/18/661488518.db2.gz IVFVIYNITCLNSZ-MRXNPFEDSA-N 1 0 391.387 2.629 20 0 GFADRO CC[NH+]1CCN(CC(C)(C)NC(=O)NCCC[C@@H]2CC2(Cl)Cl)CC1 ZINC000845678417 661490351 /nfs/dbraw/zinc/49/03/51/661490351.db2.gz FJQBHSSZKFWJBB-CQSZACIVSA-N 1 0 379.376 2.676 20 0 GFADRO CN(C)S(=O)(=O)c1cc(C(=O)OC[C@H]2CC[N@@H+]2C(C)(C)C)ccc1Cl ZINC000845739776 661494716 /nfs/dbraw/zinc/49/47/16/661494716.db2.gz JZKUBIFRLIFLAP-CYBMUJFWSA-N 1 0 388.917 2.620 20 0 GFADRO O=C(NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1snc(Cl)c1Cl ZINC000845811033 661498292 /nfs/dbraw/zinc/49/82/92/661498292.db2.gz KSGHUXCKDAFUPP-GFCCVEGCSA-N 1 0 386.304 2.599 20 0 GFADRO Cc1cc(Br)ncc1NC(=O)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000846307094 661544207 /nfs/dbraw/zinc/54/42/07/661544207.db2.gz NALZSHZHTABQRZ-KCQAQPDRSA-N 1 0 397.317 2.903 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(C(=O)Nc3cccnc3Br)C2)C1 ZINC000846306066 661544273 /nfs/dbraw/zinc/54/42/73/661544273.db2.gz FJIBLTKGVQURMY-BZPMIXESSA-N 1 0 383.290 2.594 20 0 GFADRO CCCc1cc[n+](C(C(=O)c2ccnn2C)C(=S)NCCSC)cc1 ZINC000846757846 661564248 /nfs/dbraw/zinc/56/42/48/661564248.db2.gz GQZICILBHTZDLR-UHFFFAOYSA-O 1 0 377.559 2.824 20 0 GFADRO Cc1nn(CCS(C)(=O)=O)c(C)c1C[NH2+][C@@H](C)C1CCC(F)(F)CC1 ZINC000847072855 661575189 /nfs/dbraw/zinc/57/51/89/661575189.db2.gz DWVMTIWNUKKQBC-LBPRGKRZSA-N 1 0 377.501 2.848 20 0 GFADRO CN1CCC([NH+]2CCC(NC(=O)c3nc(Cl)sc3Cl)CC2)CC1 ZINC000847409010 661591178 /nfs/dbraw/zinc/59/11/78/661591178.db2.gz HMPNMYCDBSMBKC-UHFFFAOYSA-N 1 0 377.341 2.738 20 0 GFADRO CCC(C)(C)[NH+]1CCN(C(=O)C(=O)Nc2cc(Cl)c(N)c(Cl)c2)CC1 ZINC000847574606 661598347 /nfs/dbraw/zinc/59/83/47/661598347.db2.gz KROMEKYCBORQOC-UHFFFAOYSA-N 1 0 387.311 2.847 20 0 GFADRO O=C(NCc1cnc(Cl)s1)c1ccc(C[NH+]2CCC(CO)CC2)cc1 ZINC000848033593 661621873 /nfs/dbraw/zinc/62/18/73/661621873.db2.gz DUAZFACBMLNMNZ-UHFFFAOYSA-N 1 0 379.913 2.931 20 0 GFADRO O=C1CC2(CN1)CC[NH+](Cn1cc(-c3ccc(Br)cc3)cn1)CC2 ZINC000848481034 661653288 /nfs/dbraw/zinc/65/32/88/661653288.db2.gz VEYACOXTAMHUFU-UHFFFAOYSA-N 1 0 389.297 2.872 20 0 GFADRO Cn1c(C[NH2+]Cc2ccc(S(=O)(=O)N3CCCCC3)cc2)cnc1Cl ZINC000848526345 661661607 /nfs/dbraw/zinc/66/16/07/661661607.db2.gz XOSHFKOFNBFDJL-UHFFFAOYSA-N 1 0 382.917 2.538 20 0 GFADRO C[C@@H](NC(=O)N[C@@H](C[NH3+])C(F)(F)F)c1nc(-c2ccc(Cl)cc2)no1 ZINC000848597011 661666908 /nfs/dbraw/zinc/66/69/08/661666908.db2.gz DAJAREFUWOUNQW-XCBNKYQSSA-N 1 0 377.754 2.640 20 0 GFADRO [NH2+]=C(NCCNS(=O)(=O)c1cccc(Cl)c1Cl)Nc1ccccc1 ZINC000849025393 661690602 /nfs/dbraw/zinc/69/06/02/661690602.db2.gz VGFVXSQCSMFASU-UHFFFAOYSA-N 1 0 387.292 2.908 20 0 GFADRO C[C@H](NC(=[NH2+])NCCS(=O)(=O)NC(C)(C)C)c1ccc(Cl)cc1Cl ZINC000849070850 661691134 /nfs/dbraw/zinc/69/11/34/661691134.db2.gz IELWXYGGMRFAFK-JTQLQIEISA-N 1 0 395.356 2.886 20 0 GFADRO CCOCCCNC(=[NH2+])NCc1ccc(Cl)cc1I ZINC000849109095 661692296 /nfs/dbraw/zinc/69/22/96/661692296.db2.gz RXMAKOKLCBMHOU-UHFFFAOYSA-N 1 0 395.672 2.985 20 0 GFADRO Cc1cc(CNC(=[NH2+])NCCNC(=O)OC(C)(C)C)ccc1Br ZINC000849116231 661693244 /nfs/dbraw/zinc/69/32/44/661693244.db2.gz LRQNZLYABRBKNZ-UHFFFAOYSA-N 1 0 385.306 2.896 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@H](N2C(=O)N[C@H](c3ccccc3Br)C2=O)C1 ZINC000849356012 661709331 /nfs/dbraw/zinc/70/93/31/661709331.db2.gz PXSWXRPOLBCJER-TYNCELHUSA-N 1 0 380.286 2.915 20 0 GFADRO C[C@H]([NH2+]Cc1cc(C(F)(F)F)nn1C)c1ccc(NS(C)(=O)=O)cc1 ZINC000850065146 661764480 /nfs/dbraw/zinc/76/44/80/661764480.db2.gz BQFJQCXSQADDGV-JTQLQIEISA-N 1 0 376.404 2.661 20 0 GFADRO O=[S@@](CC[NH2+]Cc1cc(Br)cnc1Cl)CC(F)(F)F ZINC000850349873 661771299 /nfs/dbraw/zinc/77/12/99/661771299.db2.gz LQMOSZOEICJQPC-IBGZPJMESA-N 1 0 379.629 2.898 20 0 GFADRO Cc1nc2scc(C3CC3)n2c1C[NH2+]CCS(=O)(=O)CC(F)(F)F ZINC000850364937 661772671 /nfs/dbraw/zinc/77/26/71/661772671.db2.gz ZLLBIXRVMZYCNN-UHFFFAOYSA-N 1 0 381.445 2.648 20 0 GFADRO CCSC1(C[NH2+]Cc2c(C)nn([C@H]3CCS(=O)(=O)C3)c2Cl)CC1 ZINC000850394684 661774605 /nfs/dbraw/zinc/77/46/05/661774605.db2.gz ZFCWRXCVWWPYAV-LBPRGKRZSA-N 1 0 377.963 2.580 20 0 GFADRO C[C@@H]([NH2+]CC(C)(C)[C@H]1COCC12OCCO2)c1cncc(Br)c1 ZINC000850474076 661777726 /nfs/dbraw/zinc/77/77/26/661777726.db2.gz JTEJNADOPDNMRO-IUODEOHRSA-N 1 0 385.302 2.910 20 0 GFADRO COc1cc([C@H](C)[NH2+]CCO[C@@H]2CC2(F)F)ccc1S(=O)(=O)C(F)F ZINC000850518838 661780433 /nfs/dbraw/zinc/78/04/33/661780433.db2.gz FKIUIZYWVUDTJI-TVQRCGJNSA-N 1 0 385.379 2.766 20 0 GFADRO C[C@H]([NH2+]CCS(=O)(=O)CC(F)(F)F)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000850520731 661780884 /nfs/dbraw/zinc/78/08/84/661780884.db2.gz XEVVOMHBPLZOKZ-JTQLQIEISA-N 1 0 378.416 2.544 20 0 GFADRO O=S(=O)(c1cc(Cl)cc(Br)c1)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000850588738 661782371 /nfs/dbraw/zinc/78/23/71/661782371.db2.gz NMFVCVGWHAWKSX-ZDUSSCGKSA-N 1 0 379.707 2.619 20 0 GFADRO C[C@@H]1CCCN(C(=O)c2cccc(S(=O)(=O)C(F)(F)F)c2)[C@@H]1CC[NH3+] ZINC000851642146 661827438 /nfs/dbraw/zinc/82/74/38/661827438.db2.gz SXRZKNJVTUCYET-BXUZGUMPSA-N 1 0 378.416 2.570 20 0 GFADRO CC[N@H+](Cc1cccc(Br)c1)C[C@@](O)(C(N)=O)c1ccccc1 ZINC000851738618 661830048 /nfs/dbraw/zinc/83/00/48/661830048.db2.gz MLABNPUTYGHCQR-SFHVURJKSA-N 1 0 377.282 2.644 20 0 GFADRO CC[NH+](CC)CCN(CCC(F)(F)F)S(=O)(=O)c1cc(N)ccc1C ZINC000851769857 661831334 /nfs/dbraw/zinc/83/13/34/661831334.db2.gz LCYCSVUAGZASNV-UHFFFAOYSA-N 1 0 381.464 2.862 20 0 GFADRO C[NH+](C)C[C@H]1CCCCN1S(=O)(=O)c1cnc(Cl)c(Br)c1 ZINC000851813383 661833868 /nfs/dbraw/zinc/83/38/68/661833868.db2.gz UVXFWDPFODFYQQ-SNVBAGLBSA-N 1 0 396.738 2.602 20 0 GFADRO CC1(C)OC[C@@H](C[NH+]2CCC(C(=O)Nc3ccc(Br)cn3)CC2)O1 ZINC000851825495 661835398 /nfs/dbraw/zinc/83/53/98/661835398.db2.gz JNGDBLPOZMOHAL-CQSZACIVSA-N 1 0 398.301 2.646 20 0 GFADRO O[C@H](C[C@H]1CCC[N@@H+]1CCn1cnc(Br)n1)c1ccc(F)cc1 ZINC000851862384 661839832 /nfs/dbraw/zinc/83/98/32/661839832.db2.gz YYFNVGDDDCIWCV-HUUCEWRRSA-N 1 0 383.265 2.768 20 0 GFADRO Brc1ncn(CCN2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)n1 ZINC000852041597 661850349 /nfs/dbraw/zinc/85/03/49/661850349.db2.gz WTDIVICCRVPPDF-GOSISDBHSA-N 1 0 390.329 2.639 20 0 GFADRO CCC[NH+](CCC)CCCNC(=O)N1CCn2ncc(Br)c2C1 ZINC000852082104 661852009 /nfs/dbraw/zinc/85/20/09/661852009.db2.gz XCEVMRSOVHWAJL-UHFFFAOYSA-N 1 0 386.338 2.683 20 0 GFADRO C[N@H+](C[C@H](O)c1cccc(Br)c1)[C@@H]1C[C@@H]2CCCC[C@@H]2NC1=O ZINC000852171715 661855763 /nfs/dbraw/zinc/85/57/63/661855763.db2.gz LPNGHBBDLXAQCC-SJWGOKEGSA-N 1 0 381.314 2.862 20 0 GFADRO OCC1([C@H]([NH2+]CCn2cnc(Br)n2)c2ccccc2)CC=CC1 ZINC000852207960 661856411 /nfs/dbraw/zinc/85/64/11/661856411.db2.gz QKUVJPQVSHWVAG-OAHLLOKOSA-N 1 0 377.286 2.700 20 0 GFADRO C[C@]12CC[N@H+](C[C@@H]3COC(C)(C)O3)C[C@H]1C2(Br)Br ZINC000852337202 661861444 /nfs/dbraw/zinc/86/14/44/661861444.db2.gz LCQAJNMUCLDYLZ-FOGDFJRCSA-N 1 0 383.124 2.966 20 0 GFADRO CC(C)OCC[C@H](O)C[N@@H+]1CC[C@@]2(C)[C@@H](C1)C2(Br)Br ZINC000852337355 661861524 /nfs/dbraw/zinc/86/15/24/661861524.db2.gz PTPUUCZGRLSDDR-XQQFMLRXSA-N 1 0 399.167 2.990 20 0 GFADRO COc1cc(Br)ccc1CCC[N@@H+]1CC[C@@H](N2CCOC2=O)C1 ZINC000852438203 661864012 /nfs/dbraw/zinc/86/40/12/661864012.db2.gz NRXLHVACAYRMCA-OAHLLOKOSA-N 1 0 383.286 2.917 20 0 GFADRO O=C(NCCC1SCCS1)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000852521077 661866206 /nfs/dbraw/zinc/86/62/06/661866206.db2.gz SJBDSKUNQGTOMO-UHFFFAOYSA-N 1 0 380.583 2.789 20 0 GFADRO CC(C)NC(=O)[C@@H]1CCC[N@H+](C[C@@H](O)c2ccc(F)c(Br)c2)C1 ZINC000852698706 661871514 /nfs/dbraw/zinc/87/15/14/661871514.db2.gz NQGYAFWKBZSCAD-CZUORRHYSA-N 1 0 387.293 2.858 20 0 GFADRO C[NH2+]C[C@H]1CCCN(C(=O)c2cnn(-c3ccccc3)c2Br)C1 ZINC000852790336 661874318 /nfs/dbraw/zinc/87/43/18/661874318.db2.gz PILUFVNLBKKNEY-CYBMUJFWSA-N 1 0 377.286 2.706 20 0 GFADRO CS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC[C@H](C3CC[NH2+]CC3)C2)c1 ZINC000852839803 661875601 /nfs/dbraw/zinc/87/56/01/661875601.db2.gz LLDCYZNQDUSTKW-AWEZNQCLSA-N 1 0 384.929 2.595 20 0 GFADRO O=C(c1cccnc1I)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000852837695 661875626 /nfs/dbraw/zinc/87/56/26/661875626.db2.gz ZJBDYPFXLZSGML-ZDUSSCGKSA-N 1 0 399.276 2.538 20 0 GFADRO C[C@]1(C(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)CC1(Br)Br ZINC000852874876 661876055 /nfs/dbraw/zinc/87/60/55/661876055.db2.gz VLALHPKGNPYLAX-DGCLKSJQSA-N 1 0 394.151 2.873 20 0 GFADRO O=C(c1cnn(-c2ccccc2)c1Br)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000852874574 661876077 /nfs/dbraw/zinc/87/60/77/661876077.db2.gz RLVBQOKHUYZBSH-AWEZNQCLSA-N 1 0 375.270 2.601 20 0 GFADRO O=C(c1cnn(-c2ccccc2)c1Br)N1CCC2(CC[NH2+]C2)CC1 ZINC000852881316 661876397 /nfs/dbraw/zinc/87/63/97/661876397.db2.gz JQVSADZRMAVQAM-UHFFFAOYSA-N 1 0 389.297 2.851 20 0 GFADRO COc1ccccc1[C@H](O)C[NH2+]Cc1cc(Br)c(O)c(OC)c1 ZINC000853092963 661882166 /nfs/dbraw/zinc/88/21/66/661882166.db2.gz WWXIUOQIWHOIOP-CQSZACIVSA-N 1 0 382.254 2.995 20 0 GFADRO COc1cccc([C@@H](CNC(=O)NCC2SCCS2)[NH+]2CCCC2)c1 ZINC000853237717 661885838 /nfs/dbraw/zinc/88/58/38/661885838.db2.gz VCIBYXFOLQHKDU-MRXNPFEDSA-N 1 0 381.567 2.937 20 0 GFADRO CN(C)c1nn(CN2CC[C@H]([N@H+](C)CCc3ccccc3)C2)c(=S)s1 ZINC000853561013 661892673 /nfs/dbraw/zinc/89/26/73/661892673.db2.gz UXALSRMBGJSLJS-INIZCTEOSA-N 1 0 377.583 2.946 20 0 GFADRO [NH3+]C1(Cc2nc(C3(c4ccc(Br)cc4)CCOCC3)no2)CC1 ZINC000854155971 661917153 /nfs/dbraw/zinc/91/71/53/661917153.db2.gz AGFISCZHYMPRCV-UHFFFAOYSA-N 1 0 378.270 2.962 20 0 GFADRO CN(C[C@@H](O)c1ccccc1Br)C(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C ZINC000854244998 661920715 /nfs/dbraw/zinc/92/07/15/661920715.db2.gz ZZZHGGYEBKKREP-CZUORRHYSA-N 1 0 398.345 2.997 20 0 GFADRO CN(C[C@H](O)c1ccccc1Br)C(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000854244996 661920881 /nfs/dbraw/zinc/92/08/81/661920881.db2.gz ZZZHGGYEBKKREP-BBRMVZONSA-N 1 0 398.345 2.997 20 0 GFADRO C[NH+]1CCC2(CCN(C(=O)c3cn(C(C)(C)C)nc3Br)C2)CC1 ZINC000854498083 661937386 /nfs/dbraw/zinc/93/73/86/661937386.db2.gz KGNBXMAVQSNKHS-UHFFFAOYSA-N 1 0 383.334 2.959 20 0 GFADRO Cc1nc(Br)sc1C(=O)N1CCC([N@H+]2CCOC[C@H]2C)CC1 ZINC000854568719 661939617 /nfs/dbraw/zinc/93/96/17/661939617.db2.gz DTTPMDHRYGTJCJ-SNVBAGLBSA-N 1 0 388.331 2.539 20 0 GFADRO C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)COc1ccc(C=O)cc1Br)C2 ZINC000854738437 661952347 /nfs/dbraw/zinc/95/23/47/661952347.db2.gz LOQKGMDRZVAOOZ-GOSISDBHSA-N 1 0 395.297 2.585 20 0 GFADRO COCC[N@@H+]1CCC[C@H](NC(=O)Cc2sc(SC(F)(F)F)nc2C)C1 ZINC000854980912 661964287 /nfs/dbraw/zinc/96/42/87/661964287.db2.gz IGCFKZFSNDDHRI-NSHDSACASA-N 1 0 397.488 2.833 20 0 GFADRO CCN(C(=O)COc1ccc(C=O)cc1Br)[C@H]1CC[N@H+](CC)C1 ZINC000855491544 661993435 /nfs/dbraw/zinc/99/34/35/661993435.db2.gz SRFPAYWCWXWQBM-AWEZNQCLSA-N 1 0 383.286 2.583 20 0 GFADRO CCN(C(=O)C[C@](O)(c1nc(C)cs1)C(F)(F)F)[C@@H]1CC[N@H+](CC)C1 ZINC000855492333 661993515 /nfs/dbraw/zinc/99/35/15/661993515.db2.gz ZESWXRHIMBBSOB-DOMZBBRYSA-N 1 0 379.448 2.534 20 0 GFADRO O=C([C@H]1CC[N@@H+](C2CCCCC2)C1)N1CCn2ncc(Br)c2C1 ZINC000856010165 662015275 /nfs/dbraw/zinc/01/52/75/662015275.db2.gz BLRJRBWBDIYHQL-ZDUSSCGKSA-N 1 0 381.318 2.642 20 0 GFADRO Cc1c(Br)cccc1CC(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000856429248 662033351 /nfs/dbraw/zinc/03/33/51/662033351.db2.gz FPOKOUSRQVLAPT-INIZCTEOSA-N 1 0 383.330 2.869 20 0 GFADRO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)N1CC[NH2+][C@H](C(C)C)C1 ZINC000856484501 662035628 /nfs/dbraw/zinc/03/56/28/662035628.db2.gz CYEWLEAJXWVHIM-AWEZNQCLSA-N 1 0 393.281 2.934 20 0 GFADRO CN1CC[NH+](CC2(C)CCN(C(=O)NCC[C@@H]3CC3(Cl)Cl)CC2)CC1 ZINC000856946732 662053676 /nfs/dbraw/zinc/05/36/76/662053676.db2.gz QFHFFDLLZMWNAI-OAHLLOKOSA-N 1 0 391.387 2.629 20 0 GFADRO O=C(O[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cc(Br)c[nH]c1=O ZINC000856991519 662057156 /nfs/dbraw/zinc/05/71/56/662057156.db2.gz URLFHMDDCAGQBD-CQSZACIVSA-N 1 0 377.238 2.981 20 0 GFADRO C[N@@H+]1CCC[C@H](c2cccc(C(=O)NCc3n[nH]cc3Br)c2)C1 ZINC000857117388 662063977 /nfs/dbraw/zinc/06/39/77/662063977.db2.gz IIQNTVIAWSVXCH-AWEZNQCLSA-N 1 0 377.286 2.911 20 0 GFADRO C[NH+](C)[C@@H]1CCc2cc(Br)ccc2N(C(=O)c2cncnc2)C1 ZINC000857880334 662093166 /nfs/dbraw/zinc/09/31/66/662093166.db2.gz GZKIJXSVPNHZQT-OAHLLOKOSA-N 1 0 375.270 2.762 20 0 GFADRO COc1cccc(N2CCC[C@@H]([NH2+]Cc3cn(C)nc3Br)C2)c1 ZINC000858140183 662100909 /nfs/dbraw/zinc/10/09/09/662100909.db2.gz BZUTWSLGTSXAOY-CQSZACIVSA-N 1 0 379.302 2.950 20 0 GFADRO Brc1cscc1C[NH2+]C[C@H]1CN(Cc2ccncc2)CCO1 ZINC000858306237 662107856 /nfs/dbraw/zinc/10/78/56/662107856.db2.gz JUPIJLIAONVBOY-HNNXBMFYSA-N 1 0 382.327 2.896 20 0 GFADRO OCc1cc(NCc2ccc(Br)cc2N2CCOCC2)cc[nH+]1 ZINC000858453604 662111832 /nfs/dbraw/zinc/11/18/32/662111832.db2.gz VYGYUBSLWPNLJZ-UHFFFAOYSA-N 1 0 378.270 2.785 20 0 GFADRO COc1cccc2c1OC[C@H]([NH2+]Cc1cc(Br)cnc1OC)C2 ZINC000858494625 662113486 /nfs/dbraw/zinc/11/34/86/662113486.db2.gz LNHXJTXBJYUOTC-CQSZACIVSA-N 1 0 379.254 2.955 20 0 GFADRO COC(=O)Nc1ccc(S(=O)(=O)N[C@@]2(C[NH3+])CCCC[C@@H]2C)cc1Cl ZINC000858609977 662116410 /nfs/dbraw/zinc/11/64/10/662116410.db2.gz GIQHTYZWSYNEAA-MEDUHNTESA-N 1 0 389.905 2.704 20 0 GFADRO C[C@]12CCN(c3cc[nH+]c(CO)c3)C[C@H]1C2(Br)Br ZINC000858622368 662116763 /nfs/dbraw/zinc/11/67/63/662116763.db2.gz SFSWLVWOVONHLW-NEPJUHHUSA-N 1 0 376.092 2.906 20 0 GFADRO C[N@@H+]1CCCC[C@H](CNC(=O)NC[C@H](O)c2cccc(Br)c2)C1 ZINC000858765470 662122086 /nfs/dbraw/zinc/12/20/86/662122086.db2.gz BWGDZOSYMYQAPO-CJNGLKHVSA-N 1 0 384.318 2.514 20 0 GFADRO C=CC(=O)N(C)CC(=O)N(CCC[NH+](C)C)Cc1ccc(Cl)c(Cl)c1 ZINC000858760021 662122117 /nfs/dbraw/zinc/12/21/17/662122117.db2.gz HTUANWLYAHVRPR-UHFFFAOYSA-N 1 0 386.323 2.918 20 0 GFADRO COC(=O)Nc1ccc(S(=O)(=O)NCC[N@H+](C)C2CCCC2)cc1Cl ZINC000858949361 662128688 /nfs/dbraw/zinc/12/86/88/662128688.db2.gz ODVJVPIKDOUVDV-UHFFFAOYSA-N 1 0 389.905 2.671 20 0 GFADRO COC(=O)Nc1ccc(S(=O)(=O)N[C@H](C)C[NH+]2CCCCC2)cc1Cl ZINC000859120594 662138911 /nfs/dbraw/zinc/13/89/11/662138911.db2.gz ARYVDAZUBZINSC-GFCCVEGCSA-N 1 0 389.905 2.671 20 0 GFADRO OC[C@H]1CCC2(CCOCC2)C[N@@H+]1C[C@@H](O)c1ccc(Br)cc1 ZINC000859520197 662166037 /nfs/dbraw/zinc/16/60/37/662166037.db2.gz FYGIFOUKLTZFRO-IAGOWNOFSA-N 1 0 384.314 2.736 20 0 GFADRO O=C1O[C@H](C[NH2+][C@@]2(CO)CCc3cc(Br)ccc3C2)CC12CCC2 ZINC000859573936 662168268 /nfs/dbraw/zinc/16/82/68/662168268.db2.gz GDHNRZARPQBNTQ-LPHOPBHVSA-N 1 0 394.309 2.744 20 0 GFADRO [NH3+]CC1(NC(=O)Nc2cc3ccccc3nc2Br)CCOCC1 ZINC000859682464 662172254 /nfs/dbraw/zinc/17/22/54/662172254.db2.gz FGDPKKOYASDUTK-UHFFFAOYSA-N 1 0 379.258 2.627 20 0 GFADRO O=c1ccc([C@@H]2OCC[C@H]2[NH2+]C[C@H](O)c2ccccc2Br)c[nH]1 ZINC000859880798 662177643 /nfs/dbraw/zinc/17/76/43/662177643.db2.gz UZBYAEHKAPFTNN-VYDXJSESSA-N 1 0 379.254 2.703 20 0 GFADRO CC[C@@H](C(=O)N1CCC[C@](O)(C[NH+](C)C)C1)c1ccc(Br)cc1 ZINC000861354856 662242044 /nfs/dbraw/zinc/24/20/44/662242044.db2.gz CZZBIQCYAHWKCY-AEFFLSMTSA-N 1 0 383.330 2.858 20 0 GFADRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)Nc1ccc2cc(Br)ccc2c1 ZINC000861515600 662248624 /nfs/dbraw/zinc/24/86/24/662248624.db2.gz HFOHSPYUWGMJEM-JKSUJKDBSA-N 1 0 390.281 2.798 20 0 GFADRO O=C(NCCC[NH+]1CCCC1)C(=O)Nc1cccc(SC(F)(F)F)c1 ZINC000861677579 662254631 /nfs/dbraw/zinc/25/46/31/662254631.db2.gz VPJSDZDPAGRFCW-UHFFFAOYSA-N 1 0 375.416 2.839 20 0 GFADRO CC[C@H](C(=O)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1)c1ccc(Br)cc1 ZINC000861719687 662255557 /nfs/dbraw/zinc/25/55/57/662255557.db2.gz MWCILEFGHOAOKW-ULQDDVLXSA-N 1 0 381.314 2.610 20 0 GFADRO O=C(N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1)C(F)(F)c1cc(Cl)ccc1Cl ZINC000861719979 662256058 /nfs/dbraw/zinc/25/60/58/662256058.db2.gz RJAVXSQWTOOAQI-VXGBXAGGSA-N 1 0 379.234 2.753 20 0 GFADRO O=C(N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1)C(F)(F)c1cccc(Cl)c1Cl ZINC000861719839 662256126 /nfs/dbraw/zinc/25/61/26/662256126.db2.gz PNIHFWWCBIMEPS-QWRGUYRKSA-N 1 0 379.234 2.753 20 0 GFADRO CCN(C(=O)c1cc(I)ccc1O)C1CC[NH+](C)CC1 ZINC000861892817 662262590 /nfs/dbraw/zinc/26/25/90/662262590.db2.gz SXDAMPDJLNDKMH-UHFFFAOYSA-N 1 0 388.249 2.553 20 0 GFADRO CC[N@H+](C)Cc1cc(O[C@@H]2CCN(C(=O)[C@H]3C[C@@]3(C)Br)C2)ccn1 ZINC000862253659 662278183 /nfs/dbraw/zinc/27/81/83/662278183.db2.gz SYGGWCKZNXHXEH-JFIYKMOQSA-N 1 0 396.329 2.687 20 0 GFADRO Cc1nc(C)c(C[NH2+]CCOc2ccc(S(=O)(=O)C(F)(F)F)cc2)o1 ZINC000862290920 662279277 /nfs/dbraw/zinc/27/92/77/662279277.db2.gz HMNFYBKNTQRJRH-UHFFFAOYSA-N 1 0 378.372 2.754 20 0 GFADRO Cn1cnnc1SCC(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000863038071 662309283 /nfs/dbraw/zinc/30/92/83/662309283.db2.gz SCZFEKGXAIBNML-ZDUSSCGKSA-N 1 0 388.324 2.633 20 0 GFADRO [NH3+]C[C@H]1CN(Cc2ccc(S(=O)(=O)C(F)F)cc2)CC[C@H]1C(F)(F)F ZINC000863552306 662336317 /nfs/dbraw/zinc/33/63/17/662336317.db2.gz LGGDWSWYXWBNSS-WCQYABFASA-N 1 0 386.386 2.642 20 0 GFADRO C[C@@]1(Br)C[C@H]1c1nc(-c2ccc(N3CCC([NH3+])CC3)nc2)no1 ZINC000863656245 662342597 /nfs/dbraw/zinc/34/25/97/662342597.db2.gz LERDCNKKKNOJGZ-BLLLJJGKSA-N 1 0 378.274 2.700 20 0 GFADRO F[C@H](c1nc(Cc2cc(Br)c3c(c2)OCCO3)no1)[C@@H]1CC[NH2+]C1 ZINC000863668498 662343196 /nfs/dbraw/zinc/34/31/96/662343196.db2.gz VGIGKOLNARQMFZ-YGRLFVJLSA-N 1 0 398.232 2.814 20 0 GFADRO F[C@@H](c1nc(-c2n[nH]c(-c3cccc(Br)c3)n2)no1)[C@@H]1CC[NH2+]C1 ZINC000863671737 662343485 /nfs/dbraw/zinc/34/34/85/662343485.db2.gz CRLRTSOXLWRBHM-MWLCHTKSSA-N 1 0 393.220 2.904 20 0 GFADRO CC(=O)N[C@H](C(=O)NC1CC[NH+](C(C)C)CC1)c1cccc(Br)c1 ZINC000864596372 662380823 /nfs/dbraw/zinc/38/08/23/662380823.db2.gz NZROCOJCEBONEW-KRWDZBQOSA-N 1 0 396.329 2.615 20 0 GFADRO COCC[NH+]1CCC(NC(=O)Cc2ccc(Br)cc2Cl)CC1 ZINC000865015488 662395106 /nfs/dbraw/zinc/39/51/06/662395106.db2.gz YADLZFJJQKMEAF-UHFFFAOYSA-N 1 0 389.721 2.872 20 0 GFADRO O=C(Cc1ccc(Br)cc1Cl)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000865060940 662396848 /nfs/dbraw/zinc/39/68/48/662396848.db2.gz UMAMURWAGQTDFA-ZIAGYGMSSA-N 1 0 387.705 2.624 20 0 GFADRO COc1cc(C[NH2+]CCc2nnc3ccccn32)c(F)cc1Br ZINC000865404282 662418980 /nfs/dbraw/zinc/41/89/80/662418980.db2.gz HYYXYGMQADXYBZ-UHFFFAOYSA-N 1 0 379.233 2.972 20 0 GFADRO O=C1NC2(CCCCC2)C(=O)N1CCC[NH2+]Cc1cccnc1Br ZINC000865411256 662419835 /nfs/dbraw/zinc/41/98/35/662419835.db2.gz VGJDKLSPGGSSND-UHFFFAOYSA-N 1 0 395.301 2.579 20 0 GFADRO COc1ncc(Br)cc1C[NH2+]CCCc1nnc2n1CCCCC2 ZINC000865446629 662421960 /nfs/dbraw/zinc/42/19/60/662421960.db2.gz WYULRBANQZAVDJ-UHFFFAOYSA-N 1 0 394.317 2.893 20 0 GFADRO O[C@@]1(CNCc2cccnc2Br)CC[N@H+](Cc2ccccc2)C1 ZINC000865472818 662423665 /nfs/dbraw/zinc/42/36/65/662423665.db2.gz FMISSXUYYHISQE-GOSISDBHSA-N 1 0 376.298 2.571 20 0 GFADRO C[NH+](C)CCNC(=O)c1ccc(CNCc2c(Cl)cncc2Cl)cc1 ZINC000865470975 662423779 /nfs/dbraw/zinc/42/37/79/662423779.db2.gz HYWRAVXVCWQSJT-UHFFFAOYSA-N 1 0 381.307 2.970 20 0 GFADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)c1ccc2ccc(Br)cc2c1 ZINC000865706280 662437638 /nfs/dbraw/zinc/43/76/38/662437638.db2.gz RGHNFZIQSPWWSL-QGZVFWFLSA-N 1 0 376.298 2.578 20 0 GFADRO CN(C)C(=O)c1ccc(C[NH2+][C@@](C)(CO)Cc2ccc(Br)cc2)[nH]1 ZINC000865714898 662438253 /nfs/dbraw/zinc/43/82/53/662438253.db2.gz GAHRBPJZHAMWQJ-GOSISDBHSA-N 1 0 394.313 2.562 20 0 GFADRO CNC(=O)c1ccc(C[NH2+][C@](C)(CO)Cc2ccc(Br)cc2)cc1 ZINC000865716427 662438667 /nfs/dbraw/zinc/43/86/67/662438667.db2.gz SPHIWBZAJDRMOD-IBGZPJMESA-N 1 0 391.309 2.892 20 0 GFADRO Brc1cc(C[NH2+]C[C@@H]2CC3(CO2)CCOCC3)cc2c1OCCO2 ZINC000865781961 662442983 /nfs/dbraw/zinc/44/29/83/662442983.db2.gz VISVMAXFTLXXQF-AWEZNQCLSA-N 1 0 398.297 2.896 20 0 GFADRO Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH2+]CC(C)(C)CS(N)(=O)=O ZINC000865814922 662445190 /nfs/dbraw/zinc/44/51/90/662445190.db2.gz LSMRTXZNWNMVML-UHFFFAOYSA-N 1 0 384.933 2.547 20 0 GFADRO CNS(=O)(=O)c1ccc(CC[NH2+]Cc2ccc(SC)c(OC)c2)cc1 ZINC000865818471 662445525 /nfs/dbraw/zinc/44/55/25/662445525.db2.gz ABOZRCUHLHDSTE-UHFFFAOYSA-N 1 0 380.535 2.658 20 0 GFADRO Brc1ccc2c(c1)[C@@H]1[C@H](C2)[C@@H]1[NH2+]Cc1cn(C[C@H]2CCCO2)nn1 ZINC000865835683 662446510 /nfs/dbraw/zinc/44/65/10/662446510.db2.gz VWUKNAMSEIACAA-SPUZQDLCSA-N 1 0 389.297 2.648 20 0 GFADRO C[NH+](C)C[C@H]1CCN(C(=O)c2cc(Br)ncc2Br)C1 ZINC000865856238 662447492 /nfs/dbraw/zinc/44/74/92/662447492.db2.gz CWBUTABRBOHJJR-SECBINFHSA-N 1 0 391.107 2.630 20 0 GFADRO COCCN(CC1CC[NH+](C)CC1)C(=O)Nc1cc(Br)ccn1 ZINC000866033476 662457846 /nfs/dbraw/zinc/45/78/46/662457846.db2.gz VNNGNSBTTJOMDR-UHFFFAOYSA-N 1 0 385.306 2.666 20 0 GFADRO C[C@@H]([NH2+]CC[C@H]1CCSC1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000866404205 662470526 /nfs/dbraw/zinc/47/05/26/662470526.db2.gz YSNPKLXUXJQCFW-CVEARBPZSA-N 1 0 384.567 2.501 20 0 GFADRO Cc1ccc(Br)c(CS(=O)(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000866484351 662476263 /nfs/dbraw/zinc/47/62/63/662476263.db2.gz UGDUVKLOSIXWFH-ZDUSSCGKSA-N 1 0 387.343 2.661 20 0 GFADRO CNS(=O)(=O)c1ccc(CC[NH2+][C@@H](C)c2cncc(Br)c2)cc1 ZINC000866578959 662481300 /nfs/dbraw/zinc/48/13/00/662481300.db2.gz RAPXUMBVHMBKOM-LBPRGKRZSA-N 1 0 398.326 2.646 20 0 GFADRO C/C(=C/c1ccc(Br)o1)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000866609447 662483697 /nfs/dbraw/zinc/48/36/97/662483697.db2.gz KLPYBARJJWPXKX-GAJOTYCWSA-N 1 0 383.286 2.815 20 0 GFADRO O=c1[nH]c(C[NH2+][C@H]2CCc3cc(Br)ccc3C2)nc2c1COCC2 ZINC000866627264 662484474 /nfs/dbraw/zinc/48/44/74/662484474.db2.gz BLTHEYBMZBFRSM-AWEZNQCLSA-N 1 0 390.281 2.665 20 0 GFADRO [NH3+][C@@H]1CCC[C@H]2CN(S(=O)(=O)c3oc4ccccc4c3Br)C[C@H]21 ZINC000866757945 662494996 /nfs/dbraw/zinc/49/49/96/662494996.db2.gz IZUCYQZIMIHFCW-CYZMBNFOSA-N 1 0 399.310 2.943 20 0 GFADRO CC[C@@H]1CN(S(=O)(=O)c2oc3ccccc3c2Br)CC[C@H]1[NH3+] ZINC000866758843 662495210 /nfs/dbraw/zinc/49/52/10/662495210.db2.gz XZIPNKANPCBUFD-ZYHUDNBSSA-N 1 0 387.299 2.943 20 0 GFADRO [NH3+]CC[C@@H]1CCCN(S(=O)(=O)c2oc3ccccc3c2Br)C1 ZINC000866762102 662495443 /nfs/dbraw/zinc/49/54/43/662495443.db2.gz INVJJDWWZJLUGA-NSHDSACASA-N 1 0 387.299 2.945 20 0 GFADRO O=S(=O)(Cc1ccc(F)cc1Cl)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000866792296 662498986 /nfs/dbraw/zinc/49/89/86/662498986.db2.gz YHTOBFYNKAHTPV-MRXNPFEDSA-N 1 0 390.908 2.542 20 0 GFADRO [NH3+]CC12CCC(CC1)N2S(=O)(=O)c1ccc(Cl)cc1Br ZINC000866794969 662499232 /nfs/dbraw/zinc/49/92/32/662499232.db2.gz PSTZOLJVXZEHTK-UHFFFAOYSA-N 1 0 379.707 2.747 20 0 GFADRO [NH3+][C@H]1C[C@H](CNS(=O)(=O)c2ccc(Br)c(Cl)c2Cl)C1 ZINC000866807771 662500241 /nfs/dbraw/zinc/50/02/41/662500241.db2.gz NJDZQVMMIMJXKH-LJGSYFOKSA-N 1 0 388.114 2.772 20 0 GFADRO [NH3+][C@H]1C[C@H](CNS(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 ZINC000866808192 662500515 /nfs/dbraw/zinc/50/05/15/662500515.db2.gz CCDXATGDGHGIDY-GVJMRKKJSA-N 1 0 376.322 2.740 20 0 GFADRO COC(=O)c1ccc(Cl)cc1S(=O)(=O)N1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866815693 662501525 /nfs/dbraw/zinc/50/15/25/662501525.db2.gz SPYGVZRFIRWNML-QGZVFWFLSA-N 1 0 388.917 2.512 20 0 GFADRO [NH3+]C[C@H]1Cc2ccccc2N(S(=O)(=O)c2cc3nc(Cl)ncc3s2)C1 ZINC000866825191 662502207 /nfs/dbraw/zinc/50/22/07/662502207.db2.gz YOJYQRLIPQWPDC-SNVBAGLBSA-N 1 0 394.909 2.671 20 0 GFADRO O=S(=O)(c1cc(Cl)cnc1Cl)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000866880202 662505902 /nfs/dbraw/zinc/50/59/02/662505902.db2.gz MCSWVFORGGMJJT-GFCCVEGCSA-N 1 0 378.325 2.885 20 0 GFADRO C[N@H+](CC1CC1)C[C@@H]1CCN(S(=O)(=O)c2ccc3onc(Cl)c3c2)C1 ZINC000866904447 662507737 /nfs/dbraw/zinc/50/77/37/662507737.db2.gz QZXMFAPHMATTSU-ZDUSSCGKSA-N 1 0 383.901 2.834 20 0 GFADRO COCCCN(C1CC[NH+](C)CC1)S(=O)(=O)Cc1ccc(F)cc1Cl ZINC000867282677 662538607 /nfs/dbraw/zinc/53/86/07/662538607.db2.gz UPKOMCCGFZUNGN-UHFFFAOYSA-N 1 0 392.924 2.742 20 0 GFADRO CCCCN(c1ccncc1)S(=O)(=O)c1cc(S(C)(=O)=O)ccc1C ZINC000867628250 662563899 /nfs/dbraw/zinc/56/38/99/662563899.db2.gz USHLTMQHLFNYOM-UHFFFAOYSA-N 1 0 382.507 2.789 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(S(=O)(=O)c3oc4ccccc4c3Br)CC[C@@H]21 ZINC000867811059 662578968 /nfs/dbraw/zinc/57/89/68/662578968.db2.gz NBADHVNCCRSPDK-YPMHNXCESA-N 1 0 399.310 2.910 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(S(=O)(=O)c3cc(Br)sc3Cl)CC[C@H]21 ZINC000867813104 662579389 /nfs/dbraw/zinc/57/93/89/662579389.db2.gz QMMZJTQONFGINO-RKDXNWHRSA-N 1 0 399.763 2.879 20 0 GFADRO C[C@H]1C[N@H+](CCCNC(=O)c2nc(Br)sc2Cl)CCCO1 ZINC000867826452 662580400 /nfs/dbraw/zinc/58/04/00/662580400.db2.gz KIKCXHLBTSMXFF-VIFPVBQESA-N 1 0 396.738 2.790 20 0 GFADRO [NH3+][C@@H](C(=O)NCc1ccnc(N2CCCC2)c1)c1cccc(Br)c1 ZINC000867962358 662589552 /nfs/dbraw/zinc/58/95/52/662589552.db2.gz OXHAYUCJGLKZIP-QGZVFWFLSA-N 1 0 389.297 2.761 20 0 GFADRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)c1c(F)ccc(I)c1Cl ZINC000867970106 662589922 /nfs/dbraw/zinc/58/99/22/662589922.db2.gz XTXKYDAKFNPXML-GMSGAONNSA-N 1 0 396.631 2.812 20 0 GFADRO Cc1sc2nc(CS[C@H](C)C(=O)N3CC[C@](C)([NH3+])C3)[nH]c(=O)c2c1C ZINC000868072793 662593584 /nfs/dbraw/zinc/59/35/84/662593584.db2.gz FWBVRHYCZFXZNB-DIFFPNOSSA-N 1 0 380.539 2.585 20 0 GFADRO O=C(Nc1cnc2c(c1)C[NH2+]CC2)N[C@@H]1[C@H]2Cc3ccc(Br)cc3[C@@H]12 ZINC000868165978 662597223 /nfs/dbraw/zinc/59/72/23/662597223.db2.gz FGUXHUXKRDAWJF-CGTJXYLNSA-N 1 0 399.292 2.950 20 0 GFADRO COc1ccc(CNC(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)cc1Br ZINC000868194532 662598401 /nfs/dbraw/zinc/59/84/01/662598401.db2.gz TYZGBZAECKWNJE-UKRRQHHQSA-N 1 0 382.302 2.693 20 0 GFADRO C[NH2+]CCOCCNC(=O)Nc1ccc(Br)c(Br)c1 ZINC000868202708 662598637 /nfs/dbraw/zinc/59/86/37/662598637.db2.gz CYIJSIZWOKHPKF-UHFFFAOYSA-N 1 0 395.095 2.569 20 0 GFADRO C[NH+](C)CCn1nccc1NC(=O)c1nc(Br)sc1Cl ZINC000868585929 662610755 /nfs/dbraw/zinc/61/07/55/662610755.db2.gz MODDIRHVIABAMW-UHFFFAOYSA-N 1 0 378.683 2.569 20 0 GFADRO COc1ncc(Br)cc1CNC(=O)NC1CCC(C)([NH+](C)C)CC1 ZINC000868805560 662620031 /nfs/dbraw/zinc/62/00/31/662620031.db2.gz NELXGUGIUDRCHE-UHFFFAOYSA-N 1 0 399.333 2.915 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(C(=O)N[C@@H]3[C@@H]4Cc5c(cccc5Br)[C@@H]43)CC[C@H]21 ZINC000868844634 662621857 /nfs/dbraw/zinc/62/18/57/662621857.db2.gz RYNDQLKFZWBSIB-DVTPXTSXSA-N 1 0 390.325 2.823 20 0 GFADRO CCc1cc2c(CC(=O)NCCC[N@@H+]3CCC[C@H]3C(N)=O)csc2s1 ZINC000869400578 662645191 /nfs/dbraw/zinc/64/51/91/662645191.db2.gz BFQRKUVCNBFJBM-HNNXBMFYSA-N 1 0 379.551 2.524 20 0 GFADRO C[C@@H](NC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2)c1cc2c(cc1Br)OCCO2 ZINC000870870181 662703972 /nfs/dbraw/zinc/70/39/72/662703972.db2.gz GNAJUZKGPRELTM-CIPCVPFUSA-N 1 0 381.270 2.525 20 0 GFADRO O=C(c1csc(C2CC[NH2+]CC2)n1)N1CCC[C@H](OCC(F)(F)F)C1 ZINC000870869623 662704004 /nfs/dbraw/zinc/70/40/04/662704004.db2.gz CJZCXLFMYBNHPM-LBPRGKRZSA-N 1 0 377.432 2.794 20 0 GFADRO O=C(CC[NH2+]CC1CC1)NC1CCN(Cc2ccc(Br)cc2)CC1 ZINC000870907209 662707774 /nfs/dbraw/zinc/70/77/74/662707774.db2.gz IKZQFOAKMZXAKT-UHFFFAOYSA-N 1 0 394.357 2.919 20 0 GFADRO O=C(c1cc(Br)cn2ccnc12)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000870914233 662707881 /nfs/dbraw/zinc/70/78/81/662707881.db2.gz LVHKHQDSGOYHLN-CYBMUJFWSA-N 1 0 377.286 2.559 20 0 GFADRO O=C(CCC12CC(C1)C[NH2+]2)N1CCN(c2ccc(Br)cc2)CC1 ZINC000870953670 662711508 /nfs/dbraw/zinc/71/15/08/662711508.db2.gz IQZYYQKDGLXZQH-UHFFFAOYSA-N 1 0 378.314 2.630 20 0 GFADRO C[NH+](C)C1(C)CCC(NC(=O)c2cncc(I)c2)CC1 ZINC000871362180 662720360 /nfs/dbraw/zinc/72/03/60/662720360.db2.gz YSBAQWAVANIPTE-UHFFFAOYSA-N 1 0 387.265 2.679 20 0 GFADRO O=C(NC[C@H]1CC2(CO1)CC[NH2+]CC2)Nc1ccc(Br)cc1F ZINC000871672868 662730848 /nfs/dbraw/zinc/73/08/48/662730848.db2.gz ARWMRTPZMHUOLL-GFCCVEGCSA-N 1 0 386.265 2.868 20 0 GFADRO O=S(=O)(Cc1c(Cl)cccc1Cl)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000871809544 662734640 /nfs/dbraw/zinc/73/46/40/662734640.db2.gz DZJPIZNGKDDORZ-GFCCVEGCSA-N 1 0 393.336 2.572 20 0 GFADRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)s2)C[C@@H]1C(F)(F)F ZINC000871812882 662735086 /nfs/dbraw/zinc/73/50/86/662735086.db2.gz DEWGHFODTMMRBU-RQJHMYQMSA-N 1 0 382.351 2.525 20 0 GFADRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2Cl)C[C@@H]1C(F)(F)F ZINC000871813982 662735241 /nfs/dbraw/zinc/73/52/41/662735241.db2.gz NFMPSKZCSYOAIY-APPZFPTMSA-N 1 0 377.215 2.751 20 0 GFADRO [NH3+]C[C@H]1CN(S(=O)(=O)Cc2c(Cl)cccc2Cl)C[C@@H]1C(F)(F)F ZINC000871814663 662735438 /nfs/dbraw/zinc/73/54/38/662735438.db2.gz WDPDISIOKBKJRW-WPRPVWTQSA-N 1 0 391.242 2.892 20 0 GFADRO COc1cc(Br)c(F)cc1S(=O)(=O)N(C)CCCCCC[NH3+] ZINC000871822735 662736092 /nfs/dbraw/zinc/73/60/92/662736092.db2.gz ILBZPTDWLQYMHP-UHFFFAOYSA-N 1 0 397.310 2.736 20 0 GFADRO C[N@@H+]1CCn2nc(N[C@H]3CCN(c4ccc(Cl)c(Cl)c4)C3=O)cc2C1 ZINC000871925764 662742879 /nfs/dbraw/zinc/74/28/79/662742879.db2.gz BCFLYNAGMIDYLI-HNNXBMFYSA-N 1 0 380.279 2.853 20 0 GFADRO COC(=O)N1CCC([NH2+]C[C@@H](O)COc2cc(Cl)cc(Cl)c2)CC1 ZINC000871974565 662748240 /nfs/dbraw/zinc/74/82/40/662748240.db2.gz JMUNODUWJTUNIZ-CQSZACIVSA-N 1 0 377.268 2.554 20 0 GFADRO CCOC(=O)[C@H](C)C1C[NH+](C[C@@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000871993772 662750121 /nfs/dbraw/zinc/75/01/21/662750121.db2.gz QBALTKPSBSAOKC-BXUZGUMPSA-N 1 0 376.280 2.864 20 0 GFADRO CCOC(=O)[C@@H](C)C1C[NH+](CCC(=O)Nc2cccc(Br)c2)C1 ZINC000871994044 662750294 /nfs/dbraw/zinc/75/02/94/662750294.db2.gz REOZWJVNTVMJKP-LBPRGKRZSA-N 1 0 383.286 2.909 20 0 GFADRO Cn1cc([C@H](O)C[NH2+][C@H](c2cccc(Br)c2)[C@H]2CCOC2)cn1 ZINC000872039448 662754495 /nfs/dbraw/zinc/75/44/95/662754495.db2.gz SZEMTERFLIUDTG-IAOVAPTHSA-N 1 0 380.286 2.583 20 0 GFADRO O=S1(=O)CC(CC[NH2+][C@@H](c2cccc(Br)c2)[C@H]2CCOC2)C1 ZINC000872064745 662755071 /nfs/dbraw/zinc/75/50/71/662755071.db2.gz LFSUVPHYOKURLH-HOCLYGCPSA-N 1 0 388.327 2.551 20 0 GFADRO CCN1C[C@H](C[NH2+][C@H](c2cccc(Br)c2)[C@@H]2CCOC2)CC1=O ZINC000872084911 662755601 /nfs/dbraw/zinc/75/56/01/662755601.db2.gz VJXRKHYFFOITQY-JCKWVBRZSA-N 1 0 381.314 2.985 20 0 GFADRO C[C@H](c1ccc(Cl)cc1)N(C)C(=O)CN1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000872147681 662756438 /nfs/dbraw/zinc/75/64/38/662756438.db2.gz CVZXUOREUJVWNU-ZLDLUXBVSA-N 1 0 377.838 2.928 20 0 GFADRO [NH3+]C[C@H]1CN(CCC(=O)Nc2ccccc2Br)C[C@H]1C(F)(F)F ZINC000872148039 662756690 /nfs/dbraw/zinc/75/66/90/662756690.db2.gz HFEFTDFDZCQNOZ-WDEREUQCSA-N 1 0 394.235 2.847 20 0 GFADRO C[C@H](NC(=O)[C@H](C)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1)c1ccc(Cl)cc1 ZINC000872149243 662756860 /nfs/dbraw/zinc/75/68/60/662756860.db2.gz MQSOQWYKKPOLDF-UHXUCMFUSA-N 1 0 377.838 2.975 20 0 GFADRO [NH3+]C[C@@H]1CN([C@H]2CCCN(c3ccccc3Cl)C2=O)C[C@H]1C(F)(F)F ZINC000872151757 662757050 /nfs/dbraw/zinc/75/70/50/662757050.db2.gz MLCWEHYNXSYKJC-JMSVASOKSA-N 1 0 375.822 2.904 20 0 GFADRO [NH3+]C[C@]1(c2nc(C3(c4ccccc4Br)CC3)no2)CCCOC1 ZINC000872181909 662757551 /nfs/dbraw/zinc/75/75/51/662757551.db2.gz RSVNAXQTUTWYNS-MRXNPFEDSA-N 1 0 378.270 2.919 20 0 GFADRO CS(=O)(=O)c1ccc([C@@H](O)C[NH2+]Cc2ccc(C(F)(F)F)s2)cc1 ZINC000872248815 662759230 /nfs/dbraw/zinc/75/92/30/662759230.db2.gz WTERGKVKLPKUKE-ZDUSSCGKSA-N 1 0 379.425 2.994 20 0 GFADRO CC1(C)CC[NH2+]CCN1C(=O)CCNC(=O)Nc1ccc(Br)cc1 ZINC000872290811 662759946 /nfs/dbraw/zinc/75/99/46/662759946.db2.gz DFWCXPRZQOWIBO-UHFFFAOYSA-N 1 0 397.317 2.561 20 0 GFADRO C[NH+](C)Cc1ccc(NS(=O)(=O)N=[S@](C)(=O)c2ccccc2)c(F)c1 ZINC000872375881 662763552 /nfs/dbraw/zinc/76/35/52/662763552.db2.gz WZUHHSCTJODYLP-XMMPIXPASA-N 1 0 385.486 2.701 20 0 GFADRO CC(C)[N@H+](C)CC1CCN(S(=O)(=O)c2cccc(Br)n2)CC1 ZINC000872445173 662767240 /nfs/dbraw/zinc/76/72/40/662767240.db2.gz GPSUTOMSKUZUPG-UHFFFAOYSA-N 1 0 390.347 2.585 20 0 GFADRO O=c1c(Br)nn(C[N@@H+]2CC[C@H]3CSC[C@H]3C2)c2ccccc12 ZINC000872720963 662786422 /nfs/dbraw/zinc/78/64/22/662786422.db2.gz FHEAFSDPJGALDB-NWDGAFQWSA-N 1 0 380.311 2.801 20 0 GFADRO CC(C)[C@H]1CN(CN2CC(c3ccc(Br)cc3)=CC2=O)CC[N@@H+]1C ZINC000872737057 662787203 /nfs/dbraw/zinc/78/72/03/662787203.db2.gz HLGNCSXNBLDNTF-GOSISDBHSA-N 1 0 392.341 2.904 20 0 GFADRO CC(C)[C@H]1CN(CN2CC[C@H](c3cccc(Br)c3)C2=O)CC[N@@H+]1C ZINC000872737782 662787213 /nfs/dbraw/zinc/78/72/13/662787213.db2.gz TVOZWHAKDZDLEM-QZTJIDSGSA-N 1 0 394.357 2.995 20 0 GFADRO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2c1ncc(Cn2cc(Br)cn2)s1 ZINC000872779617 662788484 /nfs/dbraw/zinc/78/84/84/662788484.db2.gz HHNIQSAFAVNCKD-UONOGXRCSA-N 1 0 382.331 2.823 20 0 GFADRO C[C@@H](NC(=O)NC[C@]1([NH+](C)C)CCSC1)c1ccc(C(F)(F)F)nc1 ZINC000872925132 662793808 /nfs/dbraw/zinc/79/38/08/662793808.db2.gz LGDNHNKUEKRUNP-IAQYHMDHSA-N 1 0 376.448 2.898 20 0 GFADRO Cc1sc(C[NH2+][C@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)cc1Br ZINC000873066500 662798274 /nfs/dbraw/zinc/79/82/74/662798274.db2.gz VTJSNOXSBQFPDN-OTYXRUKQSA-N 1 0 383.315 2.836 20 0 GFADRO Nc1cnc(C[NH2+]C2CCN(Cc3cccc(Br)c3)CC2)cn1 ZINC000873213678 662803950 /nfs/dbraw/zinc/80/39/50/662803950.db2.gz MASDCRUDVSBDNJ-UHFFFAOYSA-N 1 0 376.302 2.576 20 0 GFADRO COC(=O)c1cc(NC(=O)N2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)ccc1Cl ZINC000873303588 662805005 /nfs/dbraw/zinc/80/50/05/662805005.db2.gz RWAJLAIOYGTICI-GZMMTYOYSA-N 1 0 379.766 2.728 20 0 GFADRO COc1ccc(Br)c(NC(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)c1 ZINC000873307266 662805076 /nfs/dbraw/zinc/80/50/76/662805076.db2.gz MEDJHUGVEASWMC-ZDUSSCGKSA-N 1 0 398.301 2.738 20 0 GFADRO CC(=O)Nc1ccc(Cl)c(NC(=O)N2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1 ZINC000873304453 662805100 /nfs/dbraw/zinc/80/51/00/662805100.db2.gz QJXBGVPTGACAMP-ONGXEEELSA-N 1 0 378.782 2.899 20 0 GFADRO Cc1cnc(Br)cc1NC(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000873319595 662805407 /nfs/dbraw/zinc/80/54/07/662805407.db2.gz LMUMNZKNGLXBNO-RKDXNWHRSA-N 1 0 381.196 2.753 20 0 GFADRO CCn1ncc(C(=O)NCc2cccc(OCC[NH+](C)C)c2)c1Br ZINC000874321485 662828984 /nfs/dbraw/zinc/82/89/84/662828984.db2.gz OCRZKWZOQQIOIO-UHFFFAOYSA-N 1 0 395.301 2.536 20 0 GFADRO CCn1ncc(C(=O)N(C)c2ccc(OCC[NH+](C)C)cc2)c1Br ZINC000874455512 662831588 /nfs/dbraw/zinc/83/15/88/662831588.db2.gz ZENXGZSRSIJSTI-UHFFFAOYSA-N 1 0 395.301 2.883 20 0 GFADRO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)Cc1ccccc1I ZINC000874837517 662838024 /nfs/dbraw/zinc/83/80/24/662838024.db2.gz KNGFXVUIFKRAGD-HUUCEWRRSA-N 1 0 384.261 2.529 20 0 GFADRO C[NH+](C)C1(C)CCC(NC(=O)C(=O)NCc2c(Cl)cccc2Cl)CC1 ZINC000875067573 662841519 /nfs/dbraw/zinc/84/15/19/662841519.db2.gz XVWRTCBMNJROQA-UHFFFAOYSA-N 1 0 386.323 2.989 20 0 GFADRO O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)N[C@@H]1COc2cccc(Br)c2C1 ZINC000875093127 662841794 /nfs/dbraw/zinc/84/17/94/662841794.db2.gz JHPYKJBERSQIAH-IHRRRGAJSA-N 1 0 394.313 2.679 20 0 GFADRO CN(CC[NH+]1CC2(C1)CCOCC2)C(=O)NCc1cccc(Br)c1 ZINC000875175383 662842901 /nfs/dbraw/zinc/84/29/01/662842901.db2.gz FLSGLQCPVPYOKJ-UHFFFAOYSA-N 1 0 396.329 2.703 20 0 GFADRO CC[N@H+](CCNC(=O)N1CCO[C@H](C(F)(F)F)CC1)CCC(F)(F)F ZINC000875530194 662847443 /nfs/dbraw/zinc/84/74/43/662847443.db2.gz IQELEWHJTSCGGI-NSHDSACASA-N 1 0 379.345 2.624 20 0 GFADRO CC[N@H+](CCNC(=O)NCc1ccc(Br)cn1)CCC(F)(F)F ZINC000875530364 662847488 /nfs/dbraw/zinc/84/74/88/662847488.db2.gz NQVDDKVSKHNTMG-UHFFFAOYSA-N 1 0 397.239 2.918 20 0 GFADRO C[NH+]1CCC2(CCN(C(=O)NCCCn3cc(Br)cn3)CC2)CC1 ZINC000875585863 662848582 /nfs/dbraw/zinc/84/85/82/662848582.db2.gz JNLHDBSJJZOSHU-UHFFFAOYSA-N 1 0 398.349 2.553 20 0 GFADRO C[C@H]1CCN(C(=O)NCc2ccc(Br)cn2)C[C@@H]1n1ccnc1 ZINC000876215032 662856879 /nfs/dbraw/zinc/85/68/79/662856879.db2.gz JBWONPHRESRLFR-WFASDCNBSA-N 1 0 378.274 2.833 20 0 GFADRO COc1ccccc1[C@H]([NH3+])CNC(=O)c1cnn(C(C)C)c1Br ZINC000876508043 662862234 /nfs/dbraw/zinc/86/22/34/662862234.db2.gz ICFMOVWVEYDYRR-CYBMUJFWSA-N 1 0 381.274 2.665 20 0 GFADRO O=C(Nc1ccc(N2CC[NH2+]CC2)cn1)c1cc(F)c(Br)cc1F ZINC000876520337 662862500 /nfs/dbraw/zinc/86/25/00/662862500.db2.gz SZKWTHUKEMCZQY-UHFFFAOYSA-N 1 0 397.223 2.784 20 0 GFADRO C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)N(C)CC(=O)Nc1ccc(Br)cc1C ZINC000876557625 662862680 /nfs/dbraw/zinc/86/26/80/662862680.db2.gz JITNDGUWARNYTC-BCBDKAHJSA-N 1 0 394.313 2.566 20 0 GFADRO COc1ccccc1OCC[N@H+](C)Cc1ccc(Cl)c(S(N)(=O)=O)c1 ZINC000876613828 662863422 /nfs/dbraw/zinc/86/34/22/662863422.db2.gz VJPKDZDXHQXROM-UHFFFAOYSA-N 1 0 384.885 2.507 20 0 GFADRO COc1ccc(I)c(NC(=O)/C=C/[C@@H]2CCC[NH2+]C2)c1 ZINC000876626505 662863633 /nfs/dbraw/zinc/86/36/33/662863633.db2.gz AVXAKQLPHCFKJS-ZPMKCOPCSA-N 1 0 386.233 2.794 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)/C=C\[C@@H]1CCC[NH2+]C1 ZINC000876633238 662863840 /nfs/dbraw/zinc/86/38/40/662863840.db2.gz PAXDTHMRRUMAFM-ZBKLQPJUSA-N 1 0 394.313 2.758 20 0 GFADRO O=C([C@H]1[C@@H]2c3cccc(Br)c3C[C@H]12)N1CCC2(C1)CC[NH2+]CC2 ZINC000876793128 662866547 /nfs/dbraw/zinc/86/65/47/662866547.db2.gz HYWIGKBSMSXRJW-USXIJHARSA-N 1 0 375.310 2.937 20 0 GFADRO CC[C@@H](C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1)c1ccc(Br)cc1 ZINC000876933127 662868403 /nfs/dbraw/zinc/86/84/03/662868403.db2.gz GCBZGNNRLQJKOO-IXDOHACOSA-N 1 0 391.313 2.630 20 0 GFADRO O=C(N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1)c1cc(Br)cnc1F ZINC000876966351 662868695 /nfs/dbraw/zinc/86/86/95/662868695.db2.gz QOLMXHYQYSTVNY-ZFWWWQNUSA-N 1 0 396.235 2.998 20 0 GFADRO CCO[P@@](C)(=O)CC[C@@H](C)[NH2+]CCNS(=O)(=O)c1cccc(Cl)c1 ZINC000876981257 662869068 /nfs/dbraw/zinc/86/90/68/662869068.db2.gz SKSWFYMSJVOGKX-JCQPUDPBSA-N 1 0 396.877 2.931 20 0 GFADRO [NH3+][C@@H](C(=O)NC[C@@H](n1cccn1)C(F)(F)F)c1cccc(Br)c1 ZINC000876990954 662869297 /nfs/dbraw/zinc/86/92/97/662869297.db2.gz FSDOALSATKAAHD-VXGBXAGGSA-N 1 0 391.191 2.565 20 0 GFADRO CC(C)c1ncc2c(n1)CCN(C(=O)[C@@H]([NH3+])c1cccc(Br)c1)C2 ZINC000876993286 662869300 /nfs/dbraw/zinc/86/93/00/662869300.db2.gz AVCFNEVDYOGUOT-INIZCTEOSA-N 1 0 389.297 2.947 20 0 GFADRO CCO[P@](C)(=O)CC[C@@H](C)[NH2+]CC1CCN(S(=O)(=O)C(F)F)CC1 ZINC000877039485 662870054 /nfs/dbraw/zinc/87/00/54/662870054.db2.gz LAMJGYKRXAOVEZ-SPSFWMDKSA-N 1 0 390.433 2.563 20 0 GFADRO O=S1(=O)CCC(C[NH2+]C[C@](O)(c2ccc(Cl)cc2)C(F)(F)F)CC1 ZINC000877075718 662870699 /nfs/dbraw/zinc/87/06/99/662870699.db2.gz QVVHUPJERXPGKR-AWEZNQCLSA-N 1 0 385.835 2.504 20 0 GFADRO COC(=O)c1ccc(C[NH2+][C@@H]2CCN(c3ccccn3)C2)cc1Br ZINC000877121345 662871487 /nfs/dbraw/zinc/87/14/87/662871487.db2.gz ORLXISBVAGHXRQ-CQSZACIVSA-N 1 0 390.281 2.999 20 0 GFADRO CN1CC[C@H](C[NH2+]CC2CCS(=O)(=O)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000877129062 662871493 /nfs/dbraw/zinc/87/14/93/662871493.db2.gz HWKXELIXCZZOHH-QAPCUYQASA-N 1 0 388.936 2.886 20 0 GFADRO COc1cc(I)ccc1C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000877181083 662871988 /nfs/dbraw/zinc/87/19/88/662871988.db2.gz HLVVMCMCZUNHAD-UMSPYCQHSA-N 1 0 388.249 2.547 20 0 GFADRO C[C@H](NC(=O)c1cnn(-c2ccccc2)c1Br)C1CC[NH2+]CC1 ZINC000877253948 662872532 /nfs/dbraw/zinc/87/25/32/662872532.db2.gz LHIJSFOAKLZOJY-LBPRGKRZSA-N 1 0 377.286 2.753 20 0 GFADRO COC[C@@H](NC(=O)[C@H]([NH3+])c1cccc(OC)c1)c1cccc(Br)c1 ZINC000877263785 662872762 /nfs/dbraw/zinc/87/27/62/662872762.db2.gz YJYGIRMEDTUTGV-IAGOWNOFSA-N 1 0 393.281 2.961 20 0 GFADRO Cc1nc(C2CC[NH2+]CC2)sc1C(=O)Nc1nnc([C@H]2CCCO2)s1 ZINC000877270840 662872892 /nfs/dbraw/zinc/87/28/92/662872892.db2.gz LHIQGANNFOWBOE-LLVKDONJSA-N 1 0 379.511 2.874 20 0 GFADRO O=C(c1nn(-c2ccc(F)cc2)cc1Br)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000877278125 662872989 /nfs/dbraw/zinc/87/29/89/662872989.db2.gz LVVYMIHWEHSQEF-LSDHHAIUSA-N 1 0 393.260 2.740 20 0 GFADRO Cc1cc([C@H]([NH3+])CC(=O)NCCOC(F)(F)C(F)(F)F)cc(Cl)n1 ZINC000877310977 662873360 /nfs/dbraw/zinc/87/33/60/662873360.db2.gz ASAVYHLNRDGFKR-SECBINFHSA-N 1 0 375.725 2.721 20 0 GFADRO CC(C)n1ncc(C(=O)NC[C@H]2Cc3ccccc3C[NH2+]2)c1Br ZINC000877338396 662873949 /nfs/dbraw/zinc/87/39/49/662873949.db2.gz FQOOQRZCIGYCKJ-CQSZACIVSA-N 1 0 377.286 2.671 20 0 GFADRO CC(C)(C)n1ncc(C(=O)NC[C@@H]2Cc3ccccc3C[NH2+]2)c1Br ZINC000877339613 662873957 /nfs/dbraw/zinc/87/39/57/662873957.db2.gz DHZVMZADNMWUHE-AWEZNQCLSA-N 1 0 391.313 2.845 20 0 GFADRO CO[C@H](C(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1)c1ccccc1Br ZINC000877355892 662874176 /nfs/dbraw/zinc/87/41/76/662874176.db2.gz LFINVUFZIZARBE-CDMKHQONSA-N 1 0 395.219 2.732 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)Cc2ccc(Br)c(F)c2)C[C@H]1C(F)(F)F ZINC000877355734 662874216 /nfs/dbraw/zinc/87/42/16/662874216.db2.gz BLDBIAYVTADQMG-NXEZZACHSA-N 1 0 383.183 2.726 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)CSCC(=O)c2ccc(Cl)cc2)C[C@@H]1C(F)(F)F ZINC000877364371 662874609 /nfs/dbraw/zinc/87/46/09/662874609.db2.gz MKMFOVOQVXFFNP-YPMHNXCESA-N 1 0 394.846 2.852 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)CSCC(=O)c2ccc(Cl)cc2)C[C@H]1C(F)(F)F ZINC000877364370 662874636 /nfs/dbraw/zinc/87/46/36/662874636.db2.gz MKMFOVOQVXFFNP-WCQYABFASA-N 1 0 394.846 2.852 20 0 GFADRO COc1cc(Br)ccc1C(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000877367021 662874859 /nfs/dbraw/zinc/87/48/59/662874859.db2.gz YQRYZNVCFQGRJT-KWQFWETISA-N 1 0 381.192 2.667 20 0 GFADRO O=C([C@@H]1C[NH2+]C[C@H]1c1ccc(Cl)cc1)N1CCO[C@H](C(F)(F)F)CC1 ZINC000877381790 662875146 /nfs/dbraw/zinc/87/51/46/662875146.db2.gz KNLNHBUHPZNHFA-ZNMIVQPWSA-N 1 0 376.806 2.823 20 0 GFADRO O=C(N[C@@]12CCC[C@H]1[NH2+]CC2)c1cnn(-c2ccc(Br)cc2)c1 ZINC000877395657 662875549 /nfs/dbraw/zinc/87/55/49/662875549.db2.gz LSBGUMQMDJEVEK-NVXWUHKLSA-N 1 0 375.270 2.649 20 0 GFADRO C[C@H](CC[NH+]1CCN(C)CC1)NCc1nc(Cl)ccc1Br ZINC000877405163 662875628 /nfs/dbraw/zinc/87/56/28/662875628.db2.gz JEUFEEOPQVYMHK-GFCCVEGCSA-N 1 0 375.742 2.613 20 0 GFADRO CS(=O)(=O)c1ccc(Cl)c(C(=O)N2CC[C@H](C[NH3+])c3ccccc32)c1 ZINC000877428447 662875926 /nfs/dbraw/zinc/87/59/26/662875926.db2.gz JPTJCTHZHJFPEA-GFCCVEGCSA-N 1 0 378.881 2.836 20 0 GFADRO Cn1cc(Br)c(C(=O)N2CCC[C@@H](C[C@@H]([NH3+])C3CCCC3)C2)n1 ZINC000877447316 662876127 /nfs/dbraw/zinc/87/61/27/662876127.db2.gz XZXUTVNEFKBWKY-SWLSCSKDSA-N 1 0 383.334 2.942 20 0 GFADRO C[NH+](C)CCCCNS(=O)(=O)c1cccc(NC[C@@H]2CC2(Cl)Cl)c1 ZINC000877513549 662877675 /nfs/dbraw/zinc/87/76/75/662877675.db2.gz YHVDVCMYCZJIBS-ZDUSSCGKSA-N 1 0 394.368 2.912 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+]CC[C@@H](O)c2ccc(Cl)c(Cl)c2)s1 ZINC000877528801 662878259 /nfs/dbraw/zinc/87/82/59/662878259.db2.gz LAASBQGUKDWVMA-CYBMUJFWSA-N 1 0 395.333 2.916 20 0 GFADRO COC(=O)c1ccc(C[NH2+][C@@H]2CCN(CC(F)F)C2)cc1Br ZINC000877594405 662879606 /nfs/dbraw/zinc/87/96/06/662879606.db2.gz SPHKRPARTJTZEE-LLVKDONJSA-N 1 0 377.229 2.665 20 0 GFADRO COC(=O)c1ccc(C[NH2+]C[C@H]2CC[C@H](C(N)=O)CC2)cc1Br ZINC000877595116 662879640 /nfs/dbraw/zinc/87/96/40/662879640.db2.gz RWHLZWLMUMHOGN-AULYBMBSSA-N 1 0 383.286 2.617 20 0 GFADRO CC[C@@H](C)[C@H](C[NH+]1CCC(n2nncc2I)CC1)OC ZINC000877631278 662880267 /nfs/dbraw/zinc/88/02/67/662880267.db2.gz OJXXRMZGCZXALW-YPMHNXCESA-N 1 0 392.285 2.581 20 0 GFADRO CON(C)C(=O)[C@@H](C)[NH2+][C@@H]1CCN(C)[C@H](c2ccc(Br)cc2)C1 ZINC000877659790 662881042 /nfs/dbraw/zinc/88/10/42/662881042.db2.gz CKQMILAJIADXIQ-WQVCFCJDSA-N 1 0 384.318 2.582 20 0 GFADRO NS(=O)(=O)c1cccc(C[NH2+][C@@H]2[C@H]3Cc4c(cccc4Br)[C@@H]23)c1 ZINC000877663367 662881239 /nfs/dbraw/zinc/88/12/39/662881239.db2.gz AQHCQLSVHJQHIV-USXIJHARSA-N 1 0 393.306 2.524 20 0 GFADRO O=C1NCCC12CC[NH+](Cc1cccc(F)c1I)CC2 ZINC000877781714 662883483 /nfs/dbraw/zinc/88/34/83/662883483.db2.gz CUCNPTWJRHDOLY-UHFFFAOYSA-N 1 0 388.224 2.532 20 0 GFADRO CONC(=O)C1CC[NH+](Cc2ccc(Br)c3cccnc23)CC1 ZINC000877786297 662883646 /nfs/dbraw/zinc/88/36/46/662883646.db2.gz DFGPETNOTHJOFH-UHFFFAOYSA-N 1 0 378.270 2.887 20 0 GFADRO FC(F)(F)C(F)(F)OCC[NH2+]Cc1cnn2cc(Br)cnc12 ZINC000877806636 662884551 /nfs/dbraw/zinc/88/45/51/662884551.db2.gz KLKMWNUJSBZDQU-UHFFFAOYSA-N 1 0 389.122 2.753 20 0 GFADRO CC(C)(C)OC(=O)[C@H]1C[C@H]([NH2+]Cc2cnn3cc(Br)cnc23)C1 ZINC000877826542 662885053 /nfs/dbraw/zinc/88/50/53/662885053.db2.gz FLTHDJTXRUAEPI-MJHDQNEOSA-N 1 0 381.274 2.702 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[N@@H+]1CC[C@H](C(C)(C)O)C1 ZINC000877836001 662885063 /nfs/dbraw/zinc/88/50/63/662885063.db2.gz KVKHKOYCHSDMPU-JSGCOSHPSA-N 1 0 399.329 2.555 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(C(=O)Nc3ccc(I)cc3)CC[C@@H]21 ZINC000877922129 662886033 /nfs/dbraw/zinc/88/60/33/662886033.db2.gz UAZSLTNBJQXAGB-RISCZKNCSA-N 1 0 385.249 2.849 20 0 GFADRO C[NH+]1CCC(NC(=O)CN2CCC[C@H]2c2ccc(Br)cc2)CC1 ZINC000877985490 662887612 /nfs/dbraw/zinc/88/76/12/662887612.db2.gz ZTZCAPLPZMYDIH-KRWDZBQOSA-N 1 0 380.330 2.796 20 0 GFADRO FC(F)(F)COCCC[NH+]1CCN(Cc2ncccc2Br)CC1 ZINC000877995413 662887735 /nfs/dbraw/zinc/88/77/35/662887735.db2.gz GUTBQFZKHVAPGH-UHFFFAOYSA-N 1 0 396.251 2.931 20 0 GFADRO CC(C)(COc1ncccc1Br)[NH2+]C[C@@H](O)CC1(O)CCCC1 ZINC000878336392 662894096 /nfs/dbraw/zinc/89/40/96/662894096.db2.gz HEYOIFVQQYMBBK-ZDUSSCGKSA-N 1 0 387.318 2.647 20 0 GFADRO C[C@H]([NH2+]C[C@H](O)c1cc(Br)no1)c1ccc(N2CCCC2=O)cc1 ZINC000878358878 662894435 /nfs/dbraw/zinc/89/44/35/662894435.db2.gz XDKAYVRHRUFIDD-FZMZJTMJSA-N 1 0 394.269 2.948 20 0 GFADRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)Cc2c(Br)cnn2C)C1 ZINC000878385649 662895105 /nfs/dbraw/zinc/89/51/05/662895105.db2.gz RHLMYWLPWZTVDZ-ZFWWWQNUSA-N 1 0 391.313 2.677 20 0 GFADRO OCC[C@@H]([NH2+]C[C@@H](O)CC1(CO)CCCC1)c1ccccc1Br ZINC000878396944 662895409 /nfs/dbraw/zinc/89/54/09/662895409.db2.gz QBUADVIMHQYSJI-WMLDXEAASA-N 1 0 386.330 2.766 20 0 GFADRO CSCC[C@H]([NH2+]CCCS(=O)(=O)C(C)(C)C)c1nnc2ccccn21 ZINC000878415899 662895743 /nfs/dbraw/zinc/89/57/43/662895743.db2.gz ZLPLOJGNQKBGFE-AWEZNQCLSA-N 1 0 384.571 2.717 20 0 GFADRO OCC[N@@H+](Cc1cc(Br)cs1)C[C@H]1CC2(CO1)CCOCC2 ZINC000878509904 662897760 /nfs/dbraw/zinc/89/77/60/662897760.db2.gz YJPONBYLDZWXLB-CQSZACIVSA-N 1 0 390.343 2.891 20 0 GFADRO C[C@](CO)([NH2+]C[C@H](O)C[C@@H](O)c1ccccc1)c1ccc(Br)cc1 ZINC000878602643 662900053 /nfs/dbraw/zinc/90/00/53/662900053.db2.gz BDZWHUHSZZMVRL-GUDVDZBRSA-N 1 0 394.309 2.731 20 0 GFADRO OCC[C@@H]([NH2+]C[C@@H](O)c1cc(Br)no1)c1ccc(Cl)cc1 ZINC000878618669 662900606 /nfs/dbraw/zinc/90/06/06/662900606.db2.gz DGPFJVCCSKNJJA-VXGBXAGGSA-N 1 0 375.650 2.837 20 0 GFADRO FC(F)(F)c1cncc(C[N@H+](CCN2CCOCC2)[C@@H]2CCSC2)c1 ZINC000878871082 662907880 /nfs/dbraw/zinc/90/78/80/662907880.db2.gz LGOVXTKWMYNUET-MRXNPFEDSA-N 1 0 375.460 2.740 20 0 GFADRO NC(=O)[C@H](F)C1CC[NH+](CCOc2cc(F)cc(Br)c2)CC1 ZINC000879041079 662914259 /nfs/dbraw/zinc/91/42/59/662914259.db2.gz BAWMZQKUCQOKDZ-CQSZACIVSA-N 1 0 377.229 2.502 20 0 GFADRO O[C@H](C[NH2+][C@@H]1CCO[C@H]1c1ccc(F)c(F)c1)c1cc(Br)no1 ZINC000879096877 662916247 /nfs/dbraw/zinc/91/62/47/662916247.db2.gz DISXEXMKEUCYMD-JMSVASOKSA-N 1 0 389.196 2.869 20 0 GFADRO CCOP(=O)(OCC)[C@H](O)C[N@@H+]1C[C@@H](NC(=O)OC(C)(C)C)C[C@@H]1C ZINC000879225105 662920952 /nfs/dbraw/zinc/92/09/52/662920952.db2.gz WUTCEPSYTUDTIS-IHRRRGAJSA-N 1 0 380.422 2.558 20 0 GFADRO O=C1CC[N@H+](Cc2nnc(-c3ccc(Br)o3)o2)CCCCCCN1 ZINC000879253320 662921721 /nfs/dbraw/zinc/92/17/21/662921721.db2.gz SIHAOKDFBXBCLC-UHFFFAOYSA-N 1 0 397.273 2.974 20 0 GFADRO COC[C@H]([NH2+]CCCS(=O)(=O)C(C)C)c1cccc(Br)c1 ZINC000879662205 662934886 /nfs/dbraw/zinc/93/48/86/662934886.db2.gz UESYHANLYCPJNW-HNNXBMFYSA-N 1 0 378.332 2.940 20 0 GFADRO COCC[N@H+](CC(=O)N[C@@H](C)c1ccc(Br)cc1)C1CCOCC1 ZINC000879705413 662937377 /nfs/dbraw/zinc/93/73/77/662937377.db2.gz BGLIKTUHUBFORV-AWEZNQCLSA-N 1 0 399.329 2.754 20 0 GFADRO COc1cccc([C@@H](CNC(=O)Nc2cn(C)nc2Br)[NH+](C)C)c1 ZINC000880037241 662946035 /nfs/dbraw/zinc/94/60/35/662946035.db2.gz DTVFWTHYTJPAHH-CQSZACIVSA-N 1 0 396.289 2.616 20 0 GFADRO CC[N@H+](C)Cc1cccc(CNC(=O)Nc2cn(C)nc2Br)c1 ZINC000880043266 662946880 /nfs/dbraw/zinc/94/68/80/662946880.db2.gz GTTGACLVWVRVFZ-UHFFFAOYSA-N 1 0 380.290 2.956 20 0 GFADRO Cn1cc(NC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c(Br)n1 ZINC000880050634 662947694 /nfs/dbraw/zinc/94/76/94/662947694.db2.gz OGDVKPCZRNFMRV-RISCZKNCSA-N 1 0 382.306 2.663 20 0 GFADRO CCOC(=O)c1sc(CC2CC[NH+](C[C@@H](O)C(F)(F)F)CC2)nc1C ZINC000880264509 662956781 /nfs/dbraw/zinc/95/67/81/662956781.db2.gz AODGJHYNBCMTBN-GFCCVEGCSA-N 1 0 380.432 2.806 20 0 GFADRO CCOC(=O)c1sc([C@H]2CC[N@H+](CCn3c(C)csc3=O)C2)nc1C ZINC000880324125 662958031 /nfs/dbraw/zinc/95/80/31/662958031.db2.gz ZWEGWWNMXNICDV-ZDUSSCGKSA-N 1 0 381.523 2.649 20 0 GFADRO CO[C@H]1COCC[C@H]1[N@H+](C)CC(=O)N(C)Cc1ccc(Cl)c(Cl)c1 ZINC000880426910 662959866 /nfs/dbraw/zinc/95/98/66/662959866.db2.gz YSPMAJAWWMMISQ-CVEARBPZSA-N 1 0 375.296 2.688 20 0 GFADRO CC(=O)c1ccc(Br)c(NC(=O)NC[C@@H]2CCC[N@@H+]2CCCO)c1 ZINC000880807861 662973722 /nfs/dbraw/zinc/97/37/22/662973722.db2.gz HWHRLAKAJNWRBZ-AWEZNQCLSA-N 1 0 398.301 2.620 20 0 GFADRO O=C(Nc1cccc(F)c1Br)N1CC[NH+](C2CCOCC2)CC1 ZINC000881141040 662983122 /nfs/dbraw/zinc/98/31/22/662983122.db2.gz QIJWLNWMPHLVAL-UHFFFAOYSA-N 1 0 386.265 2.917 20 0 GFADRO [NH3+][C@@H](c1cn(C[C@@H]2CC3(CCC3)C(=O)O2)nn1)c1ccc(Br)cc1 ZINC000881371741 662991815 /nfs/dbraw/zinc/99/18/15/662991815.db2.gz VXRICBQYOKMRRH-DZGCQCFKSA-N 1 0 391.269 2.575 20 0 GFADRO C[C@](O)(Cn1cc(C[C@@H]2CCC[NH2+]C2)nn1)c1ccc(Br)cc1F ZINC000881424668 662993820 /nfs/dbraw/zinc/99/38/20/662993820.db2.gz PEMNGFIKWKGGIS-SJCJKPOMSA-N 1 0 397.292 2.630 20 0 GFADRO O=S(=O)(N[C@H]1CC[N@@H+]2CCCC[C@H]12)c1cnc(Cl)cc1C(F)(F)F ZINC000881790425 663003351 /nfs/dbraw/zinc/00/33/51/663003351.db2.gz OCVCMIMONAAQJV-WDEREUQCSA-N 1 0 383.823 2.659 20 0 GFADRO CC[NH+](CC)[C@@H](CNc1ccc2nnc(Br)n2n1)c1ccco1 ZINC000881856124 663006289 /nfs/dbraw/zinc/00/62/89/663006289.db2.gz DNFKOOPLMDECBD-NSHDSACASA-N 1 0 379.262 2.975 20 0 GFADRO C[C@@H]1C[C@H](N(C)S(=O)(=O)c2cnc(Cl)cc2C(F)(F)F)CC[N@@H+]1C ZINC000881931675 663010136 /nfs/dbraw/zinc/01/01/36/663010136.db2.gz AWZZFJHUNWQRGA-NXEZZACHSA-N 1 0 385.839 2.857 20 0 GFADRO CC[C@H](C[NH+]1CCCC1)Nc1cnn(CC(F)(F)F)c(=O)c1Br ZINC000881988497 663012550 /nfs/dbraw/zinc/01/25/50/663012550.db2.gz DRPQCWHSUDXWDX-SNVBAGLBSA-N 1 0 397.239 2.854 20 0 GFADRO CC(C)C[N@@H+]1CCC[C@@H](CNS(=O)(=O)N=[S@](C)(=O)C2CCCCC2)C1 ZINC000882006472 663013291 /nfs/dbraw/zinc/01/32/91/663013291.db2.gz ZOAZKUNLDXNHCS-UPCLLVRISA-N 1 0 393.619 2.619 20 0 GFADRO O=S(=O)(CC[C@@H]1CC1(Cl)Cl)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000882038786 663014506 /nfs/dbraw/zinc/01/45/06/663014506.db2.gz LSMOXFWHWNAIME-CQSZACIVSA-N 1 0 392.352 2.801 20 0 GFADRO Brc1nnc2ccc(N3CCC([NH2+]Cc4ccccc4)CC3)nn12 ZINC000882413739 663027128 /nfs/dbraw/zinc/02/71/28/663027128.db2.gz QWSDSTFYYKKBLE-UHFFFAOYSA-N 1 0 387.285 2.645 20 0 GFADRO CC(C)C[N@H+](C)CCCNc1cnn(CC(F)(F)F)c(=O)c1Br ZINC000882523342 663030366 /nfs/dbraw/zinc/03/03/66/663030366.db2.gz MLWIBRKVUOHGJM-UHFFFAOYSA-N 1 0 399.255 2.958 20 0 GFADRO CCC1([NH+]2CCCC2)CCN(c2ccc3nnc(Br)n3n2)CC1 ZINC000882680160 663036397 /nfs/dbraw/zinc/03/63/97/663036397.db2.gz OIZVTFHSBDRDCB-UHFFFAOYSA-N 1 0 379.306 2.732 20 0 GFADRO CCS(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2c3c(nn2C)CCSC3)cc1 ZINC000883113902 663049811 /nfs/dbraw/zinc/04/98/11/663049811.db2.gz GSHVBINJGQJYJU-CYBMUJFWSA-N 1 0 379.551 2.854 20 0 GFADRO C[C@@H](C[NH2+]Cc1c2c(nn1C)CCSC2)c1ccc(S(C)(=O)=O)cc1 ZINC000883198302 663051299 /nfs/dbraw/zinc/05/12/99/663051299.db2.gz FNSHZKCFPVUFPR-ZDUSSCGKSA-N 1 0 379.551 2.506 20 0 GFADRO COC[C@H]([NH2+]C[C@@H](CO)Cc1ccc(Br)cc1)[C@H]1CCCOC1 ZINC000883219561 663051585 /nfs/dbraw/zinc/05/15/85/663051585.db2.gz VWEOOHJXQDXESO-BQFCYCMXSA-N 1 0 386.330 2.631 20 0 GFADRO Cc1cc(Br)cn2c(C[NH2+]C[C@H](CO)Cc3ccoc3)cnc12 ZINC000883270793 663052075 /nfs/dbraw/zinc/05/20/75/663052075.db2.gz XMVHJUZMIBQASO-CQSZACIVSA-N 1 0 378.270 2.939 20 0 GFADRO COc1cc(C[NH2+]CC[C@@H]2CCCS2(=O)=O)c(F)cc1Br ZINC000883296551 663052662 /nfs/dbraw/zinc/05/26/62/663052662.db2.gz PTIQAPGJUIJUHM-NSHDSACASA-N 1 0 380.279 2.654 20 0 GFADRO O=C1Nc2ccc(Br)cc2CC[C@@H]1N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000883377306 663054261 /nfs/dbraw/zinc/05/42/61/663054261.db2.gz DQCQBMFTMBGSSZ-VYDXJSESSA-N 1 0 378.314 2.919 20 0 GFADRO O=C1Nc2ccc(Br)cc2CC[C@H]1[NH2+]Cc1ccc(CO)cc1 ZINC000883386273 663054524 /nfs/dbraw/zinc/05/45/24/663054524.db2.gz CPIDWFOQKRYOKQ-QGZVFWFLSA-N 1 0 375.266 2.985 20 0 GFADRO CN(Cc1nnnn1-c1ccccc1Br)C1(C[NH3+])CCCCC1 ZINC000883453566 663055411 /nfs/dbraw/zinc/05/54/11/663055411.db2.gz UBEYWUKLFRGCAJ-UHFFFAOYSA-N 1 0 379.306 2.518 20 0 GFADRO CCC(=O)c1ccc(Cl)c(S(=O)(=O)N(CCC[NH3+])CC(F)(F)F)c1 ZINC000883471183 663055600 /nfs/dbraw/zinc/05/56/00/663055600.db2.gz ZBEWBUCEMGJPHV-UHFFFAOYSA-N 1 0 386.823 2.835 20 0 GFADRO CN(C(=O)c1cc(Br)nn1-c1ncccc1Cl)C1CC[NH2+]CC1 ZINC000884015432 663063861 /nfs/dbraw/zinc/06/38/61/663063861.db2.gz UVKDQCPHHIYJKQ-UHFFFAOYSA-N 1 0 398.692 2.507 20 0 GFADRO O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1cc2c(cncc2Cl)s1 ZINC000884280080 663068008 /nfs/dbraw/zinc/06/80/08/663068008.db2.gz AWKVFCVGFPIOEQ-CYBMUJFWSA-N 1 0 392.834 2.516 20 0 GFADRO CC(C)(CC[NH3+])NC(=O)c1cc(Br)nn1-c1ncccc1Cl ZINC000884347086 663069469 /nfs/dbraw/zinc/06/94/69/663069469.db2.gz JHBGXDLLKDBNJI-UHFFFAOYSA-N 1 0 386.681 2.540 20 0 GFADRO C[C@H](C[C@H](C)[NH3+])NC(=O)c1cc(Br)nn1-c1ncccc1Cl ZINC000884372007 663069742 /nfs/dbraw/zinc/06/97/42/663069742.db2.gz DQHRTGIBISYVKS-DTWKUNHWSA-N 1 0 386.681 2.539 20 0 GFADRO CCC1([NH3+])CCN(C(=O)C(=O)NC[C@@H](C)c2c(Cl)cccc2Cl)CC1 ZINC000884602220 663072956 /nfs/dbraw/zinc/07/29/56/663072956.db2.gz GGIREOFROXOTMR-GFCCVEGCSA-N 1 0 386.323 2.943 20 0 GFADRO O=S(=O)(Cc1ccc(Br)c(F)c1)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000884957606 663079553 /nfs/dbraw/zinc/07/95/53/663079553.db2.gz TYGYITQUZLBLLM-CHWSQXEVSA-N 1 0 391.306 2.634 20 0 GFADRO COc1cc(C(F)(F)F)cc(S(=O)(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000884957626 663079612 /nfs/dbraw/zinc/07/96/12/663079612.db2.gz UEHZASFIFIDZAC-STQMWFEESA-N 1 0 378.416 2.619 20 0 GFADRO Cc1cc(Br)ccc1CS(=O)(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000885004279 663082775 /nfs/dbraw/zinc/08/27/75/663082775.db2.gz VZFYOSXVQDNICJ-CYBMUJFWSA-N 1 0 375.332 2.519 20 0 GFADRO CC[NH2+]CC1CCN(C(=O)C(=O)NCCc2ccc(Cl)c(Cl)c2)CC1 ZINC000885248837 663087389 /nfs/dbraw/zinc/08/73/89/663087389.db2.gz GULCSWFCVGBMDK-UHFFFAOYSA-N 1 0 386.323 2.500 20 0 GFADRO O=C(NC[C@H]1CC[N@@H+]1C1CCOCC1)c1cnc(CCC(F)(F)F)s1 ZINC000885855611 663099252 /nfs/dbraw/zinc/09/92/52/663099252.db2.gz VZXAXLFMDIEUNS-GFCCVEGCSA-N 1 0 377.432 2.621 20 0 GFADRO Cc1nc(SC(F)F)sc1CC(=O)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000885883293 663100310 /nfs/dbraw/zinc/10/03/10/663100310.db2.gz QKCFBASDQHCWMD-GFCCVEGCSA-N 1 0 391.509 2.678 20 0 GFADRO O=C(NC[C@H]1CC[N@@H+]1C1CCOCC1)[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000885888064 663100479 /nfs/dbraw/zinc/10/04/79/663100479.db2.gz AWDVWIJFTXHOBO-FGTMMUONSA-N 1 0 393.325 2.922 20 0 GFADRO O=S(=O)(N1CCC([NH2+][C@@H]2CCOC3(CCCCC3)C2)CC1)C(F)(F)F ZINC000886017065 663102591 /nfs/dbraw/zinc/10/25/91/663102591.db2.gz RGYWCDNRMZNMQF-CQSZACIVSA-N 1 0 384.464 2.772 20 0 GFADRO O[C@H](C[NH2+]Cc1cc(Br)c(Br)s1)[C@H]1CCCO1 ZINC000886168366 663104006 /nfs/dbraw/zinc/10/40/06/663104006.db2.gz OKRXAPYMUDGKST-NXEZZACHSA-N 1 0 385.121 2.903 20 0 GFADRO CCOc1cc(C[NH2+][C@H]2CC[C@@H](O)[C@@H](O)CC2)cc(Br)c1OC ZINC000886257679 663106337 /nfs/dbraw/zinc/10/63/37/663106337.db2.gz IFEYBWQTHVKVJF-YOWGUQMCSA-N 1 0 388.302 2.610 20 0 GFADRO COC[C@@H]([NH2+]Cc1ccc(F)cc1I)[C@H]1CCCOC1 ZINC000886358581 663108957 /nfs/dbraw/zinc/10/89/57/663108957.db2.gz XRQFZOHILTVQDH-SWLSCSKDSA-N 1 0 393.240 2.962 20 0 GFADRO Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[NH2+][C@H]1CS(=O)(=O)C[C@H]1C ZINC000886294720 663107697 /nfs/dbraw/zinc/10/76/97/663107697.db2.gz LCOZQNZIFJRIRW-XIKOKIGWSA-N 1 0 381.929 2.724 20 0 GFADRO COc1ccc(C[NH2+]C[C@@H]2CC[C@]3(CO[C@@H](C)C3)O2)c(Br)c1O ZINC000886332635 663108486 /nfs/dbraw/zinc/10/84/86/663108486.db2.gz XCHXFFWOODETFX-BNLOLNQZSA-N 1 0 386.286 2.980 20 0 GFADRO COC(=O)[C@H]1CC[C@H]([NH2+]Cc2nnc3c(Cl)cc(C(F)(F)F)cn23)C1 ZINC000886499046 663113057 /nfs/dbraw/zinc/11/30/57/663113057.db2.gz YNUTWJGOFJRVRF-WPRPVWTQSA-N 1 0 376.766 2.833 20 0 GFADRO COC(=O)[C@H]1CC[C@@H]([NH2+]Cc2nnc3c(Cl)cc(C(F)(F)F)cn23)C1 ZINC000886499045 663113066 /nfs/dbraw/zinc/11/30/66/663113066.db2.gz YNUTWJGOFJRVRF-WCBMZHEXSA-N 1 0 376.766 2.833 20 0 GFADRO O=S(=O)(NCC[NH2+][C@@H]1CCc2cccnc21)c1cccc(Cl)c1Cl ZINC000886609084 663114635 /nfs/dbraw/zinc/11/46/35/663114635.db2.gz LYRWWQAOQBHWSN-CYBMUJFWSA-N 1 0 386.304 2.944 20 0 GFADRO Cc1cc(Br)ccc1CS(=O)(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000886885515 663123458 /nfs/dbraw/zinc/12/34/58/663123458.db2.gz XULQCGNMGQSMBF-ZDUSSCGKSA-N 1 0 375.332 2.648 20 0 GFADRO Cc1cc(Br)ccc1CS(=O)(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000886885514 663123478 /nfs/dbraw/zinc/12/34/78/663123478.db2.gz XULQCGNMGQSMBF-CYBMUJFWSA-N 1 0 375.332 2.648 20 0 GFADRO Cc1cc(Br)ccc1CS(=O)(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000886889336 663123873 /nfs/dbraw/zinc/12/38/73/663123873.db2.gz QNHMJPZDUGGDMB-BZWBGLRVSA-N 1 0 387.343 2.708 20 0 GFADRO O=S(=O)(NC[C@H]1C[NH2+]CCC1(F)F)c1cc(C(F)(F)F)ccc1Cl ZINC000886895413 663123877 /nfs/dbraw/zinc/12/38/77/663123877.db2.gz NRPURBMZEKZYLO-SECBINFHSA-N 1 0 392.777 2.882 20 0 GFADRO Cc1csc(-c2ccc(S(=O)(=O)NC[C@@H]3C[NH2+]CCC3(F)F)cc2)n1 ZINC000886897807 663124053 /nfs/dbraw/zinc/12/40/53/663124053.db2.gz IPCSKORUWUSIMC-ZDUSSCGKSA-N 1 0 387.477 2.642 20 0 GFADRO COC[C@H]([NH2+][C@H](C)C(=O)Nc1ccccc1Br)[C@H]1CCCOC1 ZINC000886906242 663124438 /nfs/dbraw/zinc/12/44/38/663124438.db2.gz UAMOAWJTTYGGBX-WWGRRREGSA-N 1 0 385.302 2.807 20 0 GFADRO COC[C@H]([NH2+]C[C@](C)(O)c1ccc(Br)cc1F)[C@H]1CCCOC1 ZINC000886915631 663124985 /nfs/dbraw/zinc/12/49/85/663124985.db2.gz HGNUPTPKTRNYDS-ZLIFDBKOSA-N 1 0 390.293 2.827 20 0 GFADRO C[C@H](CCC[NH3+])NC(=O)C(=O)Nc1cc(Br)c2ccccc2c1 ZINC000886983572 663127094 /nfs/dbraw/zinc/12/70/94/663127094.db2.gz BPKLEDONXPSNAF-LLVKDONJSA-N 1 0 378.270 2.784 20 0 GFADRO C[NH2+]C[C@H]1CCN(C(=O)C(=O)Nc2cc(Br)c3ccccc3c2)C1 ZINC000886982391 663127126 /nfs/dbraw/zinc/12/71/26/663127126.db2.gz OEYOWMHFNUTLSP-GFCCVEGCSA-N 1 0 390.281 2.609 20 0 GFADRO CN(C(=O)C(=O)Nc1cc(Br)c2ccccc2c1)C1CC[NH2+]CC1 ZINC000886982306 663127136 /nfs/dbraw/zinc/12/71/36/663127136.db2.gz LPBGBGCDIBQOLQ-UHFFFAOYSA-N 1 0 390.281 2.751 20 0 GFADRO CC[NH+](CC)CCn1cc(-c2csc(Cc3ncc(Cl)n3C)n2)nn1 ZINC000887428133 663146192 /nfs/dbraw/zinc/14/61/92/663146192.db2.gz QNUDKXIKAYOCHF-UHFFFAOYSA-N 1 0 379.921 2.721 20 0 GFADRO COc1ccc(I)c(NC(=O)NC[C@@H](C)C[NH+](C)C)c1 ZINC000887707126 663158704 /nfs/dbraw/zinc/15/87/04/663158704.db2.gz ZAHQSIXEWOHGKQ-SNVBAGLBSA-N 1 0 391.253 2.619 20 0 GFADRO C[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3[C@@H]4c5cccc(Br)c5C[C@H]34)C[C@]2(C)C1 ZINC000887921762 663169970 /nfs/dbraw/zinc/16/99/70/663169970.db2.gz QVWWLANDPTUDSC-OEBAUGIZSA-N 1 0 375.310 2.745 20 0 GFADRO C[N@@H+]1C[C@@H]2CN(C(=O)c3ccc(-n4cc(Br)cn4)cc3)C[C@]2(C)C1 ZINC000887936482 663170876 /nfs/dbraw/zinc/17/08/76/663170876.db2.gz LJCCHSCMBCDAGI-KDOFPFPSSA-N 1 0 389.297 2.659 20 0 GFADRO C[C@H]1C[N@H+](CCCNC(=O)Nc2nc3ccc(Cl)nc3s2)CCCO1 ZINC000888789337 663216230 /nfs/dbraw/zinc/21/62/30/663216230.db2.gz KPZMUJKXGRFQDR-NSHDSACASA-N 1 0 383.905 2.967 20 0 GFADRO CN(C(=O)c1cn(C)nc1Br)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000889523248 663248162 /nfs/dbraw/zinc/24/81/62/663248162.db2.gz GNTOBPOBOSGSIE-AWEZNQCLSA-N 1 0 377.286 2.529 20 0 GFADRO C/C(=C\c1ccc(Br)o1)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000889743240 663261943 /nfs/dbraw/zinc/26/19/43/663261943.db2.gz MSSKHMMFLAEAMF-BOXZDTQESA-N 1 0 383.286 2.503 20 0 GFADRO Cc1ccc(C(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)c(C)c1Br ZINC000889757430 663263722 /nfs/dbraw/zinc/26/37/22/663263722.db2.gz SPESJQTVJVAJHQ-HZPDHXFCSA-N 1 0 381.314 2.737 20 0 GFADRO Cc1sc(Br)c(C(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)c1C ZINC000889756564 663263859 /nfs/dbraw/zinc/26/38/59/663263859.db2.gz OMAPAWPRZVITSA-CHWSQXEVSA-N 1 0 387.343 2.799 20 0 GFADRO CC(C)n1cc(Br)cc1C(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000889770379 663265296 /nfs/dbraw/zinc/26/52/96/663265296.db2.gz ZXGGIMPKJGMXRI-GJZGRUSLSA-N 1 0 384.318 2.503 20 0 GFADRO O=C(CCc1cc(Br)cs1)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000889770882 663265561 /nfs/dbraw/zinc/26/55/61/663265561.db2.gz WHRMRIPWQNIKAC-HUUCEWRRSA-N 1 0 387.343 2.501 20 0 GFADRO O=C(c1cc2cc(Br)ccc2[nH]1)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000889777413 663266348 /nfs/dbraw/zinc/26/63/48/663266348.db2.gz YZVMQGUQZJMIKU-IAGOWNOFSA-N 1 0 392.297 2.602 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)Nc2cccc(F)c2Br)C1 ZINC000889997223 663280049 /nfs/dbraw/zinc/28/00/49/663280049.db2.gz JLGQJVBKMJGOJB-WDEREUQCSA-N 1 0 386.265 2.516 20 0 GFADRO CN(CC(C)(C)C[NH+](C)C)C(=O)c1cc(Br)cn(C2CC2)c1=O ZINC000890878985 663315754 /nfs/dbraw/zinc/31/57/54/663315754.db2.gz SRMJEEYGUHPGHO-UHFFFAOYSA-N 1 0 384.318 2.606 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)NCc2cc(Br)ccc2F)C[C@H]1C(F)(F)F ZINC000891363545 663337396 /nfs/dbraw/zinc/33/73/96/663337396.db2.gz KORWPLZDPPIQOP-MWLCHTKSSA-N 1 0 398.198 2.867 20 0 GFADRO CC(C)([NH3+])CCNC(=O)NCC1(c2cccc(Br)c2)CCOCC1 ZINC000891393595 663338053 /nfs/dbraw/zinc/33/80/53/663338053.db2.gz ADCMQLIUFFPTTO-UHFFFAOYSA-N 1 0 398.345 2.924 20 0 GFADRO CC(=O)Nc1cc(Br)ccc1C[NH2+]C1CCN(C(=O)C2CC2)CC1 ZINC000891434095 663339497 /nfs/dbraw/zinc/33/94/97/663339497.db2.gz JAZCQPFFAIJKLN-UHFFFAOYSA-N 1 0 394.313 2.898 20 0 GFADRO COc1ccc(CNC(=O)N2CC[NH2+]CCC23CCC3)cc1Br ZINC000891483132 663340874 /nfs/dbraw/zinc/34/08/74/663340874.db2.gz NLUZZIBJWBYBGG-UHFFFAOYSA-N 1 0 382.302 2.885 20 0 GFADRO C[C@]1(Br)C[C@H]1C[NH+]1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000891543101 663343203 /nfs/dbraw/zinc/34/32/03/663343203.db2.gz NCNGLGDXVIBUJQ-FZMZJTMJSA-N 1 0 393.372 2.664 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)NCc2ccc(Br)c(F)c2)C[C@@H]1C(F)(F)F ZINC000891542512 663343327 /nfs/dbraw/zinc/34/33/27/663343327.db2.gz GMJZJAFVJQFLLN-ZJUUUORDSA-N 1 0 398.198 2.867 20 0 GFADRO CO[C@H](CNC(=O)N1CCc2sc(C[NH3+])nc2C1)c1ccccc1Cl ZINC000891686501 663347509 /nfs/dbraw/zinc/34/75/09/663347509.db2.gz HSOIGARXYUHYBM-CQSZACIVSA-N 1 0 380.901 2.711 20 0 GFADRO C[N@@H+](Cc1ncc(Br)cc1O)C[C@H](O)COCc1ccccc1 ZINC000891796778 663350784 /nfs/dbraw/zinc/35/07/84/663350784.db2.gz PTGWDTCEKRTMIK-HNNXBMFYSA-N 1 0 381.270 2.559 20 0 GFADRO C[C@H](NC(=O)N[C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21)[C@@H]1CCC[NH2+]C1 ZINC000891980598 663357335 /nfs/dbraw/zinc/35/73/35/663357335.db2.gz FZECNQYQUXCBBF-UFUVZKMWSA-N 1 0 378.314 2.775 20 0 GFADRO O=C(NCC[NH2+]C1CC1)N1CC2(CCOCC2)c2ccc(Br)cc21 ZINC000891989104 663357878 /nfs/dbraw/zinc/35/78/78/663357878.db2.gz NZEVYEJOBNTMLG-UHFFFAOYSA-N 1 0 394.313 2.779 20 0 GFADRO CC(=O)Nc1cc(Br)ccc1CN1CCC(OCC[NH+](C)C)CC1 ZINC000892002896 663358280 /nfs/dbraw/zinc/35/82/80/663358280.db2.gz CFKUACBSPYUWJG-UHFFFAOYSA-N 1 0 398.345 2.950 20 0 GFADRO O=C(NCc1ccn(-c2ccc(Br)cc2)n1)N[C@@H]1CCC[NH2+]CC1 ZINC000892082648 663361107 /nfs/dbraw/zinc/36/11/07/663361107.db2.gz MLIPVCLJKYGYDI-CQSZACIVSA-N 1 0 392.301 2.576 20 0 GFADRO O=C(NCCC1=CC[NH2+]CC1)N[C@@H]1[C@H]2Cc3ccc(Br)cc3[C@@H]12 ZINC000892100806 663361571 /nfs/dbraw/zinc/36/15/71/663361571.db2.gz NIFNRVYPYIMCLN-GVDBMIGSSA-N 1 0 376.298 2.696 20 0 GFADRO O=C(NCc1cc(C(F)(F)F)cc(Cl)n1)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000892186842 663365039 /nfs/dbraw/zinc/36/50/39/663365039.db2.gz DICQZMRKNQWQTQ-JFGNBEQYSA-N 1 0 376.810 2.941 20 0 GFADRO Cc1c(Br)cccc1CNC(=O)NC[C@H]1C[NH2+]CCC1(F)F ZINC000892233530 663366661 /nfs/dbraw/zinc/36/66/61/663366661.db2.gz YGBCZJDBNIMIBA-GFCCVEGCSA-N 1 0 376.245 2.802 20 0 GFADRO NC(=O)[C@@H]1CCC[N@H+](CCCNc2nc3cc(Br)ccc3o2)C1 ZINC000892273260 663367891 /nfs/dbraw/zinc/36/78/91/663367891.db2.gz MKWANUSWRXNIKO-LLVKDONJSA-N 1 0 381.274 2.590 20 0 GFADRO O=C(NCc1cc(F)c(Br)cc1F)NC[C@H]1C[NH2+]CCC1(F)F ZINC000892285629 663368375 /nfs/dbraw/zinc/36/83/75/663368375.db2.gz WJSICNFYRJASMU-SECBINFHSA-N 1 0 398.198 2.771 20 0 GFADRO O=C(N[C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000892322525 663369259 /nfs/dbraw/zinc/36/92/59/663369259.db2.gz MRQHAHJXRAOMTG-NOCIGQNYSA-N 1 0 390.325 2.872 20 0 GFADRO CC[C@@H]1CN(C(=O)N[C@@H]2[C@H]3Cc4cc(Br)ccc4[C@@H]23)CC[C@H]1[NH3+] ZINC000892426876 663373322 /nfs/dbraw/zinc/37/33/22/663373322.db2.gz KJHCTNWWJFNNPW-DIWUDIOASA-N 1 0 378.314 2.856 20 0 GFADRO [NH3+]CC[C@@H]1CCCN(C(=O)N[C@@H]2[C@H]3Cc4cc(Br)ccc4[C@@H]23)C1 ZINC000892428362 663373483 /nfs/dbraw/zinc/37/34/83/663373483.db2.gz YKMDHAJOGNAGIW-IAOMBJDPSA-N 1 0 378.314 2.858 20 0 GFADRO O=S1(=O)CC[C@H](C[NH2+]Cc2cc(Br)ccc2Br)C1 ZINC000892506108 663376045 /nfs/dbraw/zinc/37/60/45/663376045.db2.gz UMXABRVRTMFWKV-SECBINFHSA-N 1 0 397.132 2.736 20 0 GFADRO CCOC(=O)c1ncc(Br)c(N(C)[C@@H]2CC[N@H+](CC)[C@@H](C)C2)n1 ZINC000892642058 663379585 /nfs/dbraw/zinc/37/95/85/663379585.db2.gz KRBIQIJVVJKLRB-NWDGAFQWSA-N 1 0 385.306 2.725 20 0 GFADRO CC(C)NS(=O)(=O)c1cccc(C[NH2+]C[C@@H]2C[C@]2(C)Br)c1 ZINC000892663009 663380380 /nfs/dbraw/zinc/38/03/80/663380380.db2.gz OQJNIGOLAWZQOM-ZFWWWQNUSA-N 1 0 375.332 2.636 20 0 GFADRO COc1cc([C@H](C)[NH2+]Cc2ncc(Br)cc2O)ccc1OCCO ZINC000892672873 663380886 /nfs/dbraw/zinc/38/08/86/663380886.db2.gz YGVXNGXPDHUDSY-NSHDSACASA-N 1 0 397.269 2.780 20 0 GFADRO C[C@@]1(NC(=O)Cc2noc3ccc(Br)cc32)C[NH+]2CCC1CC2 ZINC000892766375 663384022 /nfs/dbraw/zinc/38/40/22/663384022.db2.gz KJEPPUSFWHWKGD-QGZVFWFLSA-N 1 0 378.270 2.733 20 0 GFADRO C[C@]1(NC(=O)[C@H]2[C@@H]3c4ccc(Br)cc4C[C@H]23)C[NH+]2CCC1CC2 ZINC000892764678 663384182 /nfs/dbraw/zinc/38/41/82/663384182.db2.gz WEJGVUGIXVZBGK-FAJBIJEISA-N 1 0 375.310 2.935 20 0 GFADRO Cn1cc(C(=O)N2C[C@@H]([NH+](C)C)CCc3ccccc32)c(Br)n1 ZINC000892860092 663386950 /nfs/dbraw/zinc/38/69/50/663386950.db2.gz IRXVCXXICYUUIQ-ZDUSSCGKSA-N 1 0 377.286 2.706 20 0 GFADRO CC1(C)CN([C@H](C[NH2+]C2CCS(=O)CC2)c2ccc(Cl)cc2)CCO1 ZINC000892921598 663389696 /nfs/dbraw/zinc/38/96/96/663389696.db2.gz WZXZUBZKMXBMPX-JXHCQPQMSA-N 1 0 384.973 2.993 20 0 GFADRO CCC1([NH3+])CCN(C(=O)NC[C@H](CO)Cc2ccc(Br)cc2)CC1 ZINC000892932351 663390290 /nfs/dbraw/zinc/39/02/90/663390290.db2.gz GXNVHGIFSDSICT-OAHLLOKOSA-N 1 0 398.345 2.513 20 0 GFADRO O=S(=O)(N1CCC(C[NH2+]CCc2ccc(F)c(F)c2)CC1)C(F)(F)F ZINC000892947539 663390664 /nfs/dbraw/zinc/39/06/64/663390664.db2.gz IWDNLVSLEYABQT-UHFFFAOYSA-N 1 0 386.386 2.659 20 0 GFADRO C[C@@H]1CCC[C@@H](CC[NH+](C)C)N1C(=O)c1cc2ncc(Br)cn2n1 ZINC000893008376 663392885 /nfs/dbraw/zinc/39/28/85/663392885.db2.gz PNIHRYSWVJUMEJ-OCCSQVGLSA-N 1 0 394.317 2.827 20 0 GFADRO CC(C)[NH2+][C@@H]1CCCN(C(=O)C[C@H]2C(=O)Nc3c2cccc3Br)C1 ZINC000893801433 663425346 /nfs/dbraw/zinc/42/53/46/663425346.db2.gz SUOVTVSCSGTAEV-TZMCWYRMSA-N 1 0 394.313 2.864 20 0 GFADRO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)NCc1ncc(Br)cn1 ZINC000894030928 663438859 /nfs/dbraw/zinc/43/88/59/663438859.db2.gz XJGKAXAJKVYIOK-CYBMUJFWSA-N 1 0 392.301 2.559 20 0 GFADRO Cc1cc(C)n(-c2ccc(CC[NH2+]Cc3nc(Br)nn3C)cc2)n1 ZINC000894175338 663447142 /nfs/dbraw/zinc/44/71/42/663447142.db2.gz HBHKUTXFPAOLBV-UHFFFAOYSA-N 1 0 389.301 2.712 20 0 GFADRO C[C@@H](c1ccccc1)[C@@H](CO)[NH2+]Cc1sc(N2CCOCC2)nc1Cl ZINC000894259825 663451384 /nfs/dbraw/zinc/45/13/84/663451384.db2.gz YRENPFVMPNFDON-DZGCQCFKSA-N 1 0 381.929 2.887 20 0 GFADRO CC(C)(C)OC(=O)CCC[NH2+]Cc1sc(N2CCOCC2)nc1Cl ZINC000894310386 663453643 /nfs/dbraw/zinc/45/36/43/663453643.db2.gz IRKOENHIYFCSOS-UHFFFAOYSA-N 1 0 375.922 2.845 20 0 GFADRO CC(C)[C@@H]1OCCC[C@H]1C[NH2+]Cc1cn(C)nc1I ZINC000894317833 663454363 /nfs/dbraw/zinc/45/43/63/663454363.db2.gz WFVBWDIJVBTLSI-AAEUAGOBSA-N 1 0 377.270 2.566 20 0 GFADRO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NCc1nc(Br)nn1C ZINC000894327006 663455097 /nfs/dbraw/zinc/45/50/97/663455097.db2.gz RXLSBILIKGBZCN-KBPBESRZSA-N 1 0 392.345 2.824 20 0 GFADRO C[C@H](O)C[C@@H](C[NH2+]Cc1cn(C)nc1I)c1ccccc1 ZINC000894340624 663455581 /nfs/dbraw/zinc/45/55/81/663455581.db2.gz RBXPYOZININUNU-JSGCOSHPSA-N 1 0 399.276 2.669 20 0 GFADRO C[C@H](C[C@H](O)c1ccccc1)[NH2+]Cc1c(I)cnn1C ZINC000894366981 663458274 /nfs/dbraw/zinc/45/82/74/663458274.db2.gz IWATYOUKCBUWBW-ABAIWWIYSA-N 1 0 385.249 2.627 20 0 GFADRO CC(C)C[C@H]1C[C@H]([NH2+]Cc2cn(C)nc2I)CCO1 ZINC000894376530 663459037 /nfs/dbraw/zinc/45/90/37/663459037.db2.gz SFXISBFRGIMNHB-OLZOCXBDSA-N 1 0 377.270 2.708 20 0 GFADRO C[C@](CO)([NH2+][C@H]1CCC2(C[C@H]1F)OCCO2)c1ccc(Br)cc1 ZINC000894401339 663459814 /nfs/dbraw/zinc/45/98/14/663459814.db2.gz CSDDPBUPBNXHOA-OWCLPIDISA-N 1 0 388.277 2.880 20 0 GFADRO CC1(O)CCC([NH2+]CCNS(=O)(=O)c2cccc(Cl)c2Cl)CC1 ZINC000894402813 663459916 /nfs/dbraw/zinc/45/99/16/663459916.db2.gz LGWOCFMFGUXWPE-UHFFFAOYSA-N 1 0 381.325 2.555 20 0 GFADRO CCc1nnc(CNc2cc(N3CCOCC3)c(Br)c[nH+]2)s1 ZINC000894788641 663481692 /nfs/dbraw/zinc/48/16/92/663481692.db2.gz VEDNTXBBGLDRMA-UHFFFAOYSA-N 1 0 384.303 2.707 20 0 GFADRO COc1ccc(CNc2cc(N3CCOCC3)c(Br)c[nH+]2)nc1 ZINC000894788790 663481698 /nfs/dbraw/zinc/48/16/98/663481698.db2.gz ZOXACGDLIUXRRS-UHFFFAOYSA-N 1 0 379.258 2.696 20 0 GFADRO Cn1cc(C[NH2+]C[C@H](O)c2ccc(Cl)cc2)c(I)n1 ZINC000894850068 663485125 /nfs/dbraw/zinc/48/51/25/663485125.db2.gz HSIKWNYWNAJZMU-LBPRGKRZSA-N 1 0 391.640 2.501 20 0 GFADRO Brc1ccc(OCc2ccccn2)c(C[NH2+]C[C@@H]2COCO2)c1 ZINC000894871194 663485924 /nfs/dbraw/zinc/48/59/24/663485924.db2.gz RKSCXVAHDCRMRR-MRXNPFEDSA-N 1 0 379.254 2.886 20 0 GFADRO C[C@H]1CN(Cc2nc(Br)nn2C)CC[N@H+](Cc2ccccc2)C1 ZINC000894910790 663488017 /nfs/dbraw/zinc/48/80/17/663488017.db2.gz ZUZUVSHNYFSHAV-CQSZACIVSA-N 1 0 378.318 2.532 20 0 GFADRO O=C1CC[C@H]([NH+]2CCN(Cc3cc4ccnc(Cl)c4s3)CC2)CCN1 ZINC000894930798 663489087 /nfs/dbraw/zinc/48/90/87/663489087.db2.gz WBPHVGYKXYVJBC-AWEZNQCLSA-N 1 0 378.929 2.736 20 0 GFADRO CN(CC[NH+]1CC2(C1)CCOCC2)c1ncc(Br)c2cccnc21 ZINC000895034829 663496635 /nfs/dbraw/zinc/49/66/35/663496635.db2.gz HEXIVQOMJQNMPR-UHFFFAOYSA-N 1 0 391.313 2.941 20 0 GFADRO O[C@]1(CC[NH2+]Cc2cc(Br)ccc2Br)CCOC1 ZINC000895150815 663501080 /nfs/dbraw/zinc/50/10/80/663501080.db2.gz CVYRITLVBIFUOU-CYBMUJFWSA-N 1 0 379.092 2.843 20 0 GFADRO C[C@@H](Nc1ncncc1-c1ccc(Br)cc1)[C@H]1C[N@H+](C)CCN1C ZINC000895250031 663505244 /nfs/dbraw/zinc/50/52/44/663505244.db2.gz ZLFPGSUAWCTPEZ-CXAGYDPISA-N 1 0 390.329 2.952 20 0 GFADRO Cc1c(Br)cncc1C(=O)N1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000895263404 663505858 /nfs/dbraw/zinc/50/58/58/663505858.db2.gz RZYLOPQFMCLGEW-GFCCVEGCSA-N 1 0 375.270 2.898 20 0 GFADRO C[C@H](CC(=O)N1CCN(c2cc[nH+]cc2)C[C@H]1C)n1cc(Br)cn1 ZINC000895264505 663505883 /nfs/dbraw/zinc/50/58/83/663505883.db2.gz BOJOZCBAKFMNIL-ZIAGYGMSSA-N 1 0 392.301 2.729 20 0 GFADRO COc1sc(C[NH2+]CCN2C[C@@H]3CCCCN3C2=O)cc1Br ZINC000895342132 663509270 /nfs/dbraw/zinc/50/92/70/663509270.db2.gz MPWYNFWOLVRUJS-NSHDSACASA-N 1 0 388.331 2.899 20 0 GFADRO CC(C)(C)OC(=O)N1CCC(C[NH2+]Cc2cnc(Br)cn2)CC1 ZINC000895408822 663512589 /nfs/dbraw/zinc/51/25/89/663512589.db2.gz KDARKZNBGHPMNU-UHFFFAOYSA-N 1 0 385.306 2.976 20 0 GFADRO COC(=O)c1ccc(C[NH2+][C@@]2(c3ccc(Br)cc3)C[C@@H](O)C2)n1C ZINC000895513332 663517579 /nfs/dbraw/zinc/51/75/79/663517579.db2.gz ZHLMSBHWLGZRQB-RHNCMZPLSA-N 1 0 393.281 2.714 20 0 GFADRO COc1cc(Br)c(C[NH2+]C[C@@H]2CC[C@]3(CO[C@H](C)C3)O2)cc1O ZINC000895823313 663528900 /nfs/dbraw/zinc/52/89/00/663528900.db2.gz ZPVDIQWQFJLBRR-ZUCKAHLUSA-N 1 0 386.286 2.980 20 0 GFADRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1nn2c(c1Br)CCC2 ZINC000895854999 663530292 /nfs/dbraw/zinc/53/02/92/663530292.db2.gz PLRKHDMZTKAMQS-FRRDWIJNSA-N 1 0 383.334 2.688 20 0 GFADRO O=C(N[C@H]1CCc2c1cccc2Br)C1C[NH+](C2CCOCC2)C1 ZINC000896137545 663542332 /nfs/dbraw/zinc/54/23/32/663542332.db2.gz GDIXOURJULDQNP-KRWDZBQOSA-N 1 0 379.298 2.663 20 0 GFADRO FC(F)(F)[C@H]1CC[C@@H](C[NH2+]Cc2sc(N3CCOCC3)nc2Cl)O1 ZINC000896280623 663548898 /nfs/dbraw/zinc/54/88/98/663548898.db2.gz PAXVKWVRGXACEM-GXSJLCMTSA-N 1 0 385.839 2.833 20 0 GFADRO Fc1ccc(C[N@@H+]2CC[C@H](C3OCCO3)C2)c(I)c1 ZINC000896379224 663554068 /nfs/dbraw/zinc/55/40/68/663554068.db2.gz COTMUANKPHTNKK-NSHDSACASA-N 1 0 377.197 2.625 20 0 GFADRO CN1CCC[C@H]1c1cc(C(=O)NC[C@H](O)c2cc(Cl)cc(Cl)c2)[nH]n1 ZINC000896441118 663557541 /nfs/dbraw/zinc/55/75/41/663557541.db2.gz QVQIVHANSXNMDS-HOTGVXAUSA-N 1 0 383.279 2.947 20 0 GFADRO Cc1cc(C)c(CC(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCN2C)c(C)c1Br ZINC000896531298 663561515 /nfs/dbraw/zinc/56/15/15/663561515.db2.gz ZJCULEFDBZWSNQ-DOTOQJQBSA-N 1 0 396.373 2.667 20 0 GFADRO C[C@H](NC(=O)c1cnc(-c2cccc(Cl)c2)s1)[C@H]1C[N@H+](C)CCN1C ZINC000896534932 663562067 /nfs/dbraw/zinc/56/20/67/663562067.db2.gz XDFHNZPUESAWTL-SWLSCSKDSA-N 1 0 378.929 2.828 20 0 GFADRO Cc1cc2c(o1)c(C(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCN1C)ccc2Br ZINC000896545459 663563119 /nfs/dbraw/zinc/56/31/19/663563119.db2.gz MKPJSYMJRYTMCF-WBMJQRKESA-N 1 0 394.313 2.868 20 0 GFADRO C[C@@](O)(C[NH2+]Cc1cnn2cc(Br)cnc12)c1cccc(F)c1 ZINC000896566036 663564302 /nfs/dbraw/zinc/56/43/02/663564302.db2.gz ZQRLYCJYDAJIRK-MRXNPFEDSA-N 1 0 379.233 2.628 20 0 GFADRO C[N@@H+]1C[C@H]2CCN(C(=O)N[C@H]3CCOc4ccc(Br)cc43)[C@@H]2C1 ZINC000896613096 663568154 /nfs/dbraw/zinc/56/81/54/663568154.db2.gz SKBBAFHKSQLPRW-BYCMXARLSA-N 1 0 380.286 2.618 20 0 GFADRO O=C(CCCc1ccc(Br)cc1)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000896685663 663571656 /nfs/dbraw/zinc/57/16/56/663571656.db2.gz YZXZEOMWERFASH-QGZVFWFLSA-N 1 0 395.341 2.953 20 0 GFADRO N=[S@](=O)(c1ccc(N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)cc1)C(F)(F)F ZINC000897219766 663595255 /nfs/dbraw/zinc/59/52/55/663595255.db2.gz OBJNGGGEPCBNQU-XGZNKIABSA-N 1 0 377.432 2.647 20 0 GFADRO CC[C@H]1C[C@H](C[N@@H+]2CCn3ncc(I)c3C2)CCO1 ZINC000897289471 663598901 /nfs/dbraw/zinc/59/89/01/663598901.db2.gz YUULLEAZJOTEHG-NEPJUHHUSA-N 1 0 375.254 2.509 20 0 GFADRO C[C@@H](NC(=O)C1C[NH+](C2CCOCC2)C1)[C@@H](O)c1c(Cl)cccc1Cl ZINC000897313257 663600271 /nfs/dbraw/zinc/60/02/71/663600271.db2.gz YJHFFJCXFRTENF-PIGZYNQJSA-N 1 0 387.307 2.642 20 0 GFADRO O=C(N1CCO[C@@H](c2ccc(F)c(Br)c2)C1)[C@@]12CC[N@H+](C1)CCC2 ZINC000897427113 663605382 /nfs/dbraw/zinc/60/53/82/663605382.db2.gz SSJCJTDOZXGWEY-AEFFLSMTSA-N 1 0 397.288 2.974 20 0 GFADRO COC(=O)c1sccc1C[NH2+]CC1(OCCO)CCC(C(F)F)CC1 ZINC000897542063 663609605 /nfs/dbraw/zinc/60/96/05/663609605.db2.gz FOCLKNCBUDKYKD-UHFFFAOYSA-N 1 0 377.453 2.827 20 0 GFADRO O=C(N[C@@H]1C[C@H]1c1ccccc1Br)C1C[NH+](C2CCOCC2)C1 ZINC000897633988 663614197 /nfs/dbraw/zinc/61/41/97/663614197.db2.gz CJJHDTHIMFLALV-DOTOQJQBSA-N 1 0 379.298 2.532 20 0 GFADRO C[C@H](NC(=O)C1C[NH+]([C@H]2CCOC2)C1)c1ccc(C(F)(F)F)nc1Cl ZINC000897844309 663622204 /nfs/dbraw/zinc/62/22/04/663622204.db2.gz IIFBRPFRJLQRIR-ONGXEEELSA-N 1 0 377.794 2.652 20 0 GFADRO C[N@@H+]1CC[C@H](NC(=O)C(=O)NCc2cscc2Cl)[C@H]1c1ccccc1 ZINC000897923764 663625941 /nfs/dbraw/zinc/62/59/41/663625941.db2.gz GSXJZCJBMHWLJM-JKSUJKDBSA-N 1 0 377.897 2.579 20 0 GFADRO C[C@H](NC(=O)C(=O)NCc1cscc1Cl)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000897924461 663626085 /nfs/dbraw/zinc/62/60/85/663626085.db2.gz QPHTTZOVBRAGQF-QWHCGFSZSA-N 1 0 383.945 2.787 20 0 GFADRO COC[C@H](Cc1ccccc1)[NH2+][C@@H]1Cc2cc(Br)cnc2NC1=O ZINC000897976916 663627691 /nfs/dbraw/zinc/62/76/91/663627691.db2.gz DJYUJULONSGIMK-JKSUJKDBSA-N 1 0 390.281 2.555 20 0 GFADRO O=C1Nc2ncc(Br)cc2C[C@H]1[NH2+]C[C@H]1CCOc2ccccc21 ZINC000897978058 663628374 /nfs/dbraw/zinc/62/83/74/663628374.db2.gz LGOFYZUCHATFKF-IAQYHMDHSA-N 1 0 388.265 2.863 20 0 GFADRO Cn1cc(C[NH2+][C@@H]2C[C@@H]3CC[C@H]2N3C(=O)OC(C)(C)C)c(Br)n1 ZINC000898071150 663632434 /nfs/dbraw/zinc/63/24/34/663632434.db2.gz ONPMVORWKPDNIF-YNEHKIRRSA-N 1 0 385.306 2.813 20 0 GFADRO O=C(c1ccc(SC(F)(F)F)o1)N1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000898110619 663633777 /nfs/dbraw/zinc/63/37/77/663633777.db2.gz SRBVOQYNDHZOPR-UHFFFAOYSA-N 1 0 378.416 2.858 20 0 GFADRO Cc1cc(C(=O)N2CCC(CO)([NH2+]CC3CC3)CC2)ccc1Br ZINC000898114399 663634187 /nfs/dbraw/zinc/63/41/87/663634187.db2.gz HFFMUJMIDJNTRX-UHFFFAOYSA-N 1 0 381.314 2.724 20 0 GFADRO C[C@](CO)([NH2+][C@@H]1CCC2(C[C@H]1F)OCCO2)c1cccc(Br)c1 ZINC000898168949 663636961 /nfs/dbraw/zinc/63/69/61/663636961.db2.gz VFCZRZSHTDEJSJ-BZUAXINKSA-N 1 0 388.277 2.880 20 0 GFADRO O=c1[nH]ncc(N2CC[C@@H]([NH2+]Cc3cc(O)ccc3Br)C2)c1Cl ZINC000898365083 663644623 /nfs/dbraw/zinc/64/46/23/663644623.db2.gz VLKKLGGFFUPGEG-SNVBAGLBSA-N 1 0 399.676 2.672 20 0 GFADRO Brc1ccc(C[NH2+][C@H]2COC[C@@H]2C2CC2)c(N2CCOCC2)c1 ZINC000898382342 663646255 /nfs/dbraw/zinc/64/62/55/663646255.db2.gz WDEKGKTYDKEAAZ-SJORKVTESA-N 1 0 381.314 2.800 20 0 GFADRO CC(C)[N@H+](C)CC1CCN(C(=O)NCc2ncc(Br)cn2)CC1 ZINC000898398834 663648313 /nfs/dbraw/zinc/64/83/13/663648313.db2.gz NLHZUVWEHSBZOO-UHFFFAOYSA-N 1 0 384.322 2.501 20 0 GFADRO COC(=O)C1CC2(C1)C[C@@H]([NH2+][C@H](C)CCCC(F)(F)F)CCS2(=O)=O ZINC000898488444 663652291 /nfs/dbraw/zinc/65/22/91/663652291.db2.gz STTCOALPHQWTMY-UQJCBBSYSA-N 1 0 385.448 2.596 20 0 GFADRO Cc1sc(Br)nc1C(=O)NC1CC[NH+](C2CCOCC2)CC1 ZINC000898635545 663658699 /nfs/dbraw/zinc/65/86/99/663658699.db2.gz XCKJXFARQCPUTN-UHFFFAOYSA-N 1 0 388.331 2.587 20 0 GFADRO COC(=O)c1cc(C[NH2+][C@H]2CCc3ncc(Br)n3C2)[nH]c1C(C)C ZINC000898720276 663660549 /nfs/dbraw/zinc/66/05/49/663660549.db2.gz LGHPULZZIPZYOQ-NSHDSACASA-N 1 0 395.301 2.988 20 0 GFADRO O=C(NC(CCC(F)(F)F)CCC(F)(F)F)C1C[NH+]([C@H]2CCOC2)C1 ZINC000898788893 663664247 /nfs/dbraw/zinc/66/42/47/663664247.db2.gz GSDFFGBUDPJSHU-LBPRGKRZSA-N 1 0 376.341 2.877 20 0 GFADRO CC[NH+]1CCN(CCC(=O)Nc2c[nH]c3ccc(Br)cc23)CC1 ZINC000899239738 663680573 /nfs/dbraw/zinc/68/05/73/663680573.db2.gz OTIWBFRZSHPRHP-UHFFFAOYSA-N 1 0 379.302 2.897 20 0 GFADRO C[N@@H+]1CC[C@@H](CC(=O)NCc2ccn(-c3ccc(Br)cc3)n2)C1 ZINC000899460297 663689120 /nfs/dbraw/zinc/68/91/20/663689120.db2.gz AANGSVLFVXDDMV-ZDUSSCGKSA-N 1 0 377.286 2.593 20 0 GFADRO C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)c1ccc(Br)c(O)c1 ZINC000899811332 663700801 /nfs/dbraw/zinc/70/08/01/663700801.db2.gz VQZKQWNEKKOWRP-GFCCVEGCSA-N 1 0 376.254 2.901 20 0 GFADRO CCn1c(Br)ncc1C(=O)N(CCc1ccccc1)CC[NH+](C)C ZINC000900260322 663711077 /nfs/dbraw/zinc/71/10/77/663711077.db2.gz CFIGKIHBVXBDQZ-UHFFFAOYSA-N 1 0 393.329 2.912 20 0 GFADRO CC[NH+](CC)CCC[C@@H](C)NC(=O)CNC(=O)c1cnc(Cl)c(Cl)c1 ZINC000900304766 663712103 /nfs/dbraw/zinc/71/21/03/663712103.db2.gz GUVRHEYCFDTKPW-GFCCVEGCSA-N 1 0 389.327 2.745 20 0 GFADRO CC(C)[NH+]1CCN(CCC(=O)N[C@H](C)Cc2cccc(Br)c2)CC1 ZINC000900376941 663713394 /nfs/dbraw/zinc/71/33/94/663713394.db2.gz BUMSNVQZZJHCEX-MRXNPFEDSA-N 1 0 396.373 2.912 20 0 GFADRO C[C@@](O)(Cn1cc([C@H]([NH3+])c2ccc(Cl)cc2)nn1)C(F)(F)C(F)(F)F ZINC000900622360 663718298 /nfs/dbraw/zinc/71/82/98/663718298.db2.gz QBPXANMAXHDOIC-VXGBXAGGSA-N 1 0 384.736 2.928 20 0 GFADRO COc1cc(Br)cc(CNC(=O)[C@@H]([NH2+]C2CCOCC2)C(C)C)c1 ZINC000900682700 663719592 /nfs/dbraw/zinc/71/95/92/663719592.db2.gz OVOYAYKZPVVVRX-KRWDZBQOSA-N 1 0 399.329 2.867 20 0 GFADRO O=C(NCc1nc(C(F)(F)F)cs1)C1CCC([NH+]2CCOCC2)CC1 ZINC000900797359 663721714 /nfs/dbraw/zinc/72/17/14/663721714.db2.gz VHQPLCXQYIXACR-UHFFFAOYSA-N 1 0 377.432 2.669 20 0 GFADRO CCO[C@H](CC[NH+](C)C)CNC(=O)c1c(C)ccc(F)c1Br ZINC000900993190 663728295 /nfs/dbraw/zinc/72/82/95/663728295.db2.gz HMNQSOJFKBRZHY-GFCCVEGCSA-N 1 0 375.282 2.983 20 0 GFADRO CC(C)[NH+]1CCN(CCCC(=O)NCc2ccc(O)c(Br)c2)CC1 ZINC000901134040 663730889 /nfs/dbraw/zinc/73/08/89/663730889.db2.gz QJYINPCOVGYSCU-UHFFFAOYSA-N 1 0 398.345 2.577 20 0 GFADRO CC[C@@H]1CCCCN1C(=O)[C@@H](C)[NH2+][C@@H]1CCc2ncc(Br)n2C1 ZINC000901730395 663743989 /nfs/dbraw/zinc/74/39/89/663743989.db2.gz WKFOYOCQGYAJNC-MGPQQGTHSA-N 1 0 383.334 2.730 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCc2ncc(Br)n2C1)C(=O)N1CCc2ccccc21 ZINC000901730863 663744125 /nfs/dbraw/zinc/74/41/25/663744125.db2.gz YEVCLWQBHMJDIZ-GXTWGEPZSA-N 1 0 389.297 2.528 20 0 GFADRO Cc1c([C@@H](C)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)nnn1-c1cccc(Br)c1 ZINC000902467225 663761663 /nfs/dbraw/zinc/76/16/63/663761663.db2.gz NRIGYBPGIJPLKH-UCDYDWOKSA-N 1 0 376.302 2.882 20 0 GFADRO O=C(NCC[NH2+][C@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21)c1ccc(Br)cc1 ZINC000902759151 663767280 /nfs/dbraw/zinc/76/72/80/663767280.db2.gz QERQQKZBGRYAKI-SMLCLMEVSA-N 1 0 379.298 2.582 20 0 GFADRO CC(C)C[C@H]([NH2+]C1CCN(S(=O)(=O)C(F)(F)F)CC1)C1CCOCC1 ZINC000902836010 663768171 /nfs/dbraw/zinc/76/81/71/663768171.db2.gz AWDDXKARVMNYNZ-HNNXBMFYSA-N 1 0 386.480 2.731 20 0 GFADRO Brc1ccc(N2CC[C@H](C[NH2+][C@@H]3CCO[C@@]34CCOC4)C2)cc1 ZINC000903082298 663772616 /nfs/dbraw/zinc/77/26/16/663772616.db2.gz YEMKRUUIJZSDEV-ZTFGCOKTSA-N 1 0 381.314 2.813 20 0 GFADRO C[C@H]([NH2+]C[C@@](C)(O)C(F)(F)F)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000903130679 663775207 /nfs/dbraw/zinc/77/52/07/663775207.db2.gz NRPJFIVLIWEMEY-GZMMTYOYSA-N 1 0 379.322 2.944 20 0 GFADRO C[C@H]([NH2+]C[C@H]1CC[C@H](C(F)(F)F)O1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000903180992 663777286 /nfs/dbraw/zinc/77/72/86/663777286.db2.gz LQBRDTSKMMIZQW-NJZAAPMLSA-N 1 0 380.432 2.697 20 0 GFADRO COc1ccc([C@H](CCC(C)C)[NH2+]CCS(=O)(=O)N=S(C)(C)=O)cc1 ZINC000903228883 663779389 /nfs/dbraw/zinc/77/93/89/663779389.db2.gz BSUQNFVAFFOEEE-KRWDZBQOSA-N 1 0 390.571 2.820 20 0 GFADRO Cn1nnnc1CCC[NH2+][C@@H](c1ccco1)c1ccc(Br)cc1 ZINC000903349531 663782457 /nfs/dbraw/zinc/78/24/57/663782457.db2.gz WIOHGFADQBKLPR-MRXNPFEDSA-N 1 0 376.258 2.877 20 0 GFADRO O=c1ccn(CCC[NH2+][C@H]2CCCc3c(Br)cccc32)c(=O)[nH]1 ZINC000903431890 663784557 /nfs/dbraw/zinc/78/45/57/663784557.db2.gz CGDUXQAYRGABDN-HNNXBMFYSA-N 1 0 378.270 2.769 20 0 GFADRO C[C@H]1C[NH2+]CC[C@H]1NS(=O)(=O)Cc1cccc(Cl)c1Br ZINC000903519085 663786814 /nfs/dbraw/zinc/78/68/14/663786814.db2.gz WKMATNFAPIXMKE-JOYOIKCWSA-N 1 0 381.723 2.520 20 0 GFADRO Cc1c(Br)cccc1CS(=O)(=O)N1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903557889 663788646 /nfs/dbraw/zinc/78/86/46/663788646.db2.gz GOLQSCHNEHUNIO-DGCLKSJQSA-N 1 0 375.332 2.504 20 0 GFADRO O=S(=O)(NC1(C2CC[NH2+]CC2)CC1)c1c(Cl)cccc1Br ZINC000903558703 663788668 /nfs/dbraw/zinc/78/86/68/663788668.db2.gz WOSQYOKYGJSBRL-UHFFFAOYSA-N 1 0 393.734 2.913 20 0 GFADRO O=S(=O)(NC1(C2CC[NH2+]CC2)CC1)c1cccc(Cl)c1Br ZINC000903557965 663788740 /nfs/dbraw/zinc/78/87/40/663788740.db2.gz KEJSGNCNKILKCY-UHFFFAOYSA-N 1 0 393.734 2.913 20 0 GFADRO [NH3+][C@@H]1CN(S(=O)(=O)c2ccc(Cl)c(F)c2Cl)C[C@H]1C(F)(F)F ZINC000903572480 663789333 /nfs/dbraw/zinc/78/93/33/663789333.db2.gz RTZTUULKMWWYDH-IYSWYEEDSA-N 1 0 381.178 2.643 20 0 GFADRO Brc1ccc2c(c1)OCCN(C[C@@H]1CC3(CO1)CC[NH2+]CC3)C2 ZINC000903766074 663806094 /nfs/dbraw/zinc/80/60/94/663806094.db2.gz OATCARWXKSNBDD-INIZCTEOSA-N 1 0 381.314 2.802 20 0 GFADRO COCC[C@H]1C[NH2+]CCN1Cc1ncc(-c2cccc(Br)c2)o1 ZINC000903836407 663808203 /nfs/dbraw/zinc/80/82/03/663808203.db2.gz LRPQZCRQFYGNHC-HNNXBMFYSA-N 1 0 380.286 2.914 20 0 GFADRO CC(C)(NCc1cnnn1[C@@H]1CCC[NH2+]C1)c1ccccc1Br ZINC000903902919 663810694 /nfs/dbraw/zinc/81/06/94/663810694.db2.gz PRKAYEKJFMJTBA-CYBMUJFWSA-N 1 0 378.318 2.990 20 0 GFADRO Brc1ccc([C@H]2CCCN2Cc2cnnn2[C@@H]2CCC[NH2+]C2)nc1 ZINC000903929919 663812287 /nfs/dbraw/zinc/81/22/87/663812287.db2.gz OBRXOXZHBZXKTL-RHSMWYFYSA-N 1 0 391.317 2.697 20 0 GFADRO C[NH2+][C@@H](C)Cc1noc(-c2ccc(Cn3cc(Br)cn3)s2)n1 ZINC000904076950 663823067 /nfs/dbraw/zinc/82/30/67/663823067.db2.gz LIQLKLIZNKYKTF-VIFPVBQESA-N 1 0 382.287 2.956 20 0 GFADRO COC[C@H]1C[NH2+]CCN1C(=O)Nc1cc(Cl)ccc1OCC(F)(F)F ZINC000904285778 663829880 /nfs/dbraw/zinc/82/98/80/663829880.db2.gz FOAFBWJZXVBXLZ-LLVKDONJSA-N 1 0 381.782 2.733 20 0 GFADRO COc1cc(Br)c(NC(=O)N2CCC[C@@]23CC[NH2+]C3)cc1OC ZINC000904309170 663830529 /nfs/dbraw/zinc/83/05/29/663830529.db2.gz BJAFQDSRPIETFS-INIZCTEOSA-N 1 0 384.274 2.826 20 0 GFADRO COc1cc(NC(=O)N2CC[NH2+]CCC23CCOCC3)ccc1Br ZINC000904362389 663831289 /nfs/dbraw/zinc/83/12/89/663831289.db2.gz LVYWMLNBQHJRRP-UHFFFAOYSA-N 1 0 398.301 2.834 20 0 GFADRO O=C(Nc1ccnn1Cc1cccc(Br)c1)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000904428975 663833886 /nfs/dbraw/zinc/83/38/86/663833886.db2.gz SQVBEFZEYGBSAH-QLFBSQMISA-N 1 0 390.285 2.708 20 0 GFADRO COC(=O)c1c(Br)ccc(NC(=O)N2CCC[C@]23CC[NH2+]C3)c1C ZINC000904443121 663834591 /nfs/dbraw/zinc/83/45/91/663834591.db2.gz HOFPGXMHZYDKBF-QGZVFWFLSA-N 1 0 396.285 2.904 20 0 GFADRO COCC[C@H]1C[NH2+]CCN1C(=O)Nc1cc2ccccc2nc1Br ZINC000904449597 663835100 /nfs/dbraw/zinc/83/51/00/663835100.db2.gz LMCOAZZGKDCGBS-ZDUSSCGKSA-N 1 0 393.285 2.840 20 0 GFADRO [NH3+]C[C@@]12CC[C@H]1CCN2C(=O)Nc1ccc(I)cc1F ZINC000904521281 663836611 /nfs/dbraw/zinc/83/66/11/663836611.db2.gz MMRCAVOQANXHOF-XPTSAGLGSA-N 1 0 389.212 2.775 20 0 GFADRO [NH3+]C[C@@]12CC[C@@H]1CCN2C(=O)Nc1ccc(I)cc1F ZINC000904521280 663836668 /nfs/dbraw/zinc/83/66/68/663836668.db2.gz MMRCAVOQANXHOF-OTYXRUKQSA-N 1 0 389.212 2.775 20 0 GFADRO COCCOc1ccc(NC(=O)N[C@H]2CCC[C@@H]([NH3+])C2)cc1Br ZINC000904548129 663837305 /nfs/dbraw/zinc/83/73/05/663837305.db2.gz JOEFWABKSOLRBY-NEPJUHHUSA-N 1 0 386.290 2.866 20 0 GFADRO COCCOc1ccc(NC(=O)N[C@@H]2CC[NH2+]C2(C)C)cc1Br ZINC000904552807 663838158 /nfs/dbraw/zinc/83/81/58/663838158.db2.gz ZBUJBLDCLORAQC-CQSZACIVSA-N 1 0 386.290 2.736 20 0 GFADRO Cc1cc(Cc2noc([C@]34C[NH2+]C[C@H]3CCOC4)n2)ccc1Br ZINC000904721412 663842076 /nfs/dbraw/zinc/84/20/76/663842076.db2.gz MVMJRDJJNUXCSO-DYVFJYSZSA-N 1 0 378.270 2.609 20 0 GFADRO O[C@@H](C[NH2+]C[C@@H]1CCN(c2cccc(Br)c2)C1)CC1(O)CCCC1 ZINC000905067097 663851280 /nfs/dbraw/zinc/85/12/80/663851280.db2.gz FJXKWOWBHNPPKK-MAUKXSAKSA-N 1 0 397.357 2.921 20 0 GFADRO O[C@H](CCC1(O)CCC1)C[NH2+][C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000905095909 663852802 /nfs/dbraw/zinc/85/28/02/663852802.db2.gz HMZILVMNAWNODQ-NVXWUHKLSA-N 1 0 383.330 2.674 20 0 GFADRO CC[C@H](C[NH2+]C[C@@H](O)C[C@]1(O)CCOC1)Cc1cccc(Br)c1 ZINC000905128592 663854097 /nfs/dbraw/zinc/85/40/97/663854097.db2.gz SKJIJKIPMWZYEQ-JCGIZDLHSA-N 1 0 386.330 2.510 20 0 GFADRO C[C@H](C[NH2+]C[C@@H](O)C1(S(=O)(=O)NC(C)(C)C)CCC1)Cc1cccs1 ZINC000905132445 663854613 /nfs/dbraw/zinc/85/46/13/663854613.db2.gz ASAPDNHAJZZJCD-GOEBONIOSA-N 1 0 388.599 2.518 20 0 GFADRO O=C1[C@H]([NH2+]C[C@H](O)CCC2(O)CCC2)CCN1c1ccc(Cl)c(Cl)c1 ZINC000905202888 663858265 /nfs/dbraw/zinc/85/82/65/663858265.db2.gz ORRQVDJHLXYSMI-CZUORRHYSA-N 1 0 387.307 2.744 20 0 GFADRO CC(C)(C)NS(=O)(=O)C1([C@@H](O)C[NH2+][C@@H]2CCCc3sccc32)CCC1 ZINC000905216697 663859713 /nfs/dbraw/zinc/85/97/13/663859713.db2.gz TYCOROAHROFLSN-ZBFHGGJFSA-N 1 0 386.583 2.717 20 0 GFADRO CC1(C)C[NH2+][C@H]1C1CCN(S(=O)(=O)c2cnc(Cl)c(Cl)c2)CC1 ZINC000905358803 663867233 /nfs/dbraw/zinc/86/72/33/663867233.db2.gz KGPJCOBXYCOYHP-ZDUSSCGKSA-N 1 0 378.325 2.787 20 0 GFADRO COc1ncc(Br)cc1C[NH2+]C[C@@H](O)CC[C@@H](O)c1ccccc1 ZINC000905386527 663868887 /nfs/dbraw/zinc/86/88/87/663868887.db2.gz UHRSCPCAZCNOCW-DLBZAZTESA-N 1 0 395.297 2.817 20 0 GFADRO O=C1NCCN1c1ccc(C[NH2+]C[C@@H](O)c2ccccc2Br)cc1 ZINC000905418849 663870525 /nfs/dbraw/zinc/87/05/25/663870525.db2.gz LWHMZAPXCUOXPV-QGZVFWFLSA-N 1 0 390.281 2.802 20 0 GFADRO O=C(CC[NH2+]C[C@H](CO)Cc1ccoc1)Nc1ccc(Br)cc1 ZINC000905417015 663870617 /nfs/dbraw/zinc/87/06/17/663870617.db2.gz FEUUPUCCCAMVMA-CQSZACIVSA-N 1 0 381.270 2.812 20 0 GFADRO O[C@@H](C[NH2+]C[C@@H](O)C(F)(F)C(F)(F)F)c1ccc(F)c(Br)c1 ZINC000905446485 663871680 /nfs/dbraw/zinc/87/16/80/663871680.db2.gz HPKPLCPWYIRHBE-VHSXEESVSA-N 1 0 396.125 2.770 20 0 GFADRO COC(=O)C1CC2(C1)C[C@H]([NH2+]C[C@H](O)c1ccc(Br)cc1)CCO2 ZINC000905489008 663873801 /nfs/dbraw/zinc/87/38/01/663873801.db2.gz IDUPQSQNWIJAHT-FVWRDLLJSA-N 1 0 398.297 2.573 20 0 GFADRO CC(C)(C)OC(=O)N1CCC(F)(F)[C@H](C[NH2+]C[C@@](C)(O)C(F)(F)F)C1 ZINC000905493063 663874103 /nfs/dbraw/zinc/87/41/03/663874103.db2.gz QFECHFTXUFJHPW-ZWNOBZJWSA-N 1 0 376.366 2.782 20 0 GFADRO O[C@@H](C[NH2+]Cc1cc(Br)c2ccccc2c1)C[C@@]1(O)CCOC1 ZINC000905517773 663875725 /nfs/dbraw/zinc/87/57/25/663875725.db2.gz VOYKIQSNLKIMIE-QAPCUYQASA-N 1 0 380.282 2.594 20 0 GFADRO O[C@H](C[NH2+]CC1(C2(O)CCOCC2)CC1)COc1cc(Cl)cc(Cl)c1 ZINC000905550484 663878056 /nfs/dbraw/zinc/87/80/56/663878056.db2.gz FVPJWIGWLCGZMG-OAHLLOKOSA-N 1 0 390.307 2.644 20 0 GFADRO C[C@@](O)(C[NH2+]CC1(n2cc(Br)cn2)CC1)C(F)(F)C(F)(F)F ZINC000905585901 663879745 /nfs/dbraw/zinc/87/97/45/663879745.db2.gz HMHFSWMPGXOOEE-SECBINFHSA-N 1 0 392.166 2.673 20 0 GFADRO Cn1nc(C2CC2)cc1C[NH2+]C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000905619947 663881916 /nfs/dbraw/zinc/88/19/16/663881916.db2.gz OXXNYXIINQUYFM-HNNXBMFYSA-N 1 0 398.276 2.729 20 0 GFADRO C[NH+](C)CCCNC(=S)N1CCCC[C@@H]1c1ncc(Br)cn1 ZINC000905662416 663884653 /nfs/dbraw/zinc/88/46/53/663884653.db2.gz IMAJPTKRXHKUET-CYBMUJFWSA-N 1 0 386.363 2.592 20 0 GFADRO Cn1cc([C@]2(C[NH2+]C[C@H](O)c3ccccc3Br)CCCO2)cn1 ZINC000905688632 663886363 /nfs/dbraw/zinc/88/63/63/663886363.db2.gz XMVMVWLRUVTZAJ-DLBZAZTESA-N 1 0 380.286 2.512 20 0 GFADRO O[C@@H](C[NH2+]CCOC1CCSCC1)COc1cccc(Br)c1 ZINC000905705606 663887785 /nfs/dbraw/zinc/88/77/85/663887785.db2.gz QTMGDDFWIUAUJE-AWEZNQCLSA-N 1 0 390.343 2.691 20 0 GFADRO NC(=O)[C@H](Cc1ccccc1)[NH2+][C@H]1CCOc2ccc(Br)cc21 ZINC000905852373 663896814 /nfs/dbraw/zinc/89/68/14/663896814.db2.gz JAXYEJUECMSTSP-HOTGVXAUSA-N 1 0 375.266 2.959 20 0 GFADRO CCOC(=O)C1CCC(O)(C[C@@H](O)C[NH2+]Cc2ccc(Cl)s2)CC1 ZINC000905906530 663900001 /nfs/dbraw/zinc/90/00/01/663900001.db2.gz SHKFZRJQSUPYNM-UIORMTCPSA-N 1 0 375.918 2.727 20 0 GFADRO C[C@@H](CNC(=O)c1cc(Br)cn(C2CC2)c1=O)[N@@H+]1CCCC[C@H]1C ZINC000906150603 663929454 /nfs/dbraw/zinc/92/94/54/663929454.db2.gz OAAHPHQGKHQNFE-OLZOCXBDSA-N 1 0 396.329 2.938 20 0 GFADRO COCc1c(Br)cccc1NC(=O)C1(n2cccn2)CC[NH2+]CC1 ZINC000906217460 663932493 /nfs/dbraw/zinc/93/24/93/663932493.db2.gz SSJBFNJQBBOLRM-UHFFFAOYSA-N 1 0 393.285 2.509 20 0 GFADRO O=C(c1cccn2ncc(Br)c12)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000906618217 663961149 /nfs/dbraw/zinc/96/11/49/663961149.db2.gz JRWXJEQCNOOREE-CYBMUJFWSA-N 1 0 377.286 2.797 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cccn3ncc(Br)c23)[C@H](C)C1 ZINC000906795054 663971459 /nfs/dbraw/zinc/97/14/59/663971459.db2.gz ZREQSAPPJUTHIT-IUODEOHRSA-N 1 0 379.302 2.899 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cccn3ncc(Br)c23)[C@H](C)C1 ZINC000906795053 663971484 /nfs/dbraw/zinc/97/14/84/663971484.db2.gz ZREQSAPPJUTHIT-DOMZBBRYSA-N 1 0 379.302 2.899 20 0 GFADRO CC[NH+](CC)[C@H]1CCN(C(=O)C(F)(F)c2ncccc2Br)C1 ZINC000906848454 663976469 /nfs/dbraw/zinc/97/64/69/663976469.db2.gz IULPBSKLNICADW-NSHDSACASA-N 1 0 376.245 2.879 20 0 GFADRO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)c2cccn3ncc(Br)c23)C1 ZINC000906876638 663978435 /nfs/dbraw/zinc/97/84/35/663978435.db2.gz VNPRSEVKMCMRCF-AWEZNQCLSA-N 1 0 391.313 2.901 20 0 GFADRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)c2cc(Br)cn(C3CC3)c2=O)C1 ZINC000906916587 663982058 /nfs/dbraw/zinc/98/20/58/663982058.db2.gz RHLONHWIPBWFEV-OCCSQVGLSA-N 1 0 382.302 2.548 20 0 GFADRO Cc1cc(NC(=O)C[C@H](O)C(Cl)(Cl)Cl)n(C2CC[NH+](C)CC2)n1 ZINC000906923936 663982496 /nfs/dbraw/zinc/98/24/96/663982496.db2.gz HUJAAZBQDMCOHQ-NSHDSACASA-N 1 0 383.707 2.518 20 0 GFADRO C[N@@H+]1CCCC12CCN(C(=O)c1cc(Br)cn(C3CC3)c1=O)CC2 ZINC000907205057 664011693 /nfs/dbraw/zinc/01/16/93/664011693.db2.gz CNHLTMDATHMISQ-UHFFFAOYSA-N 1 0 394.313 2.646 20 0 GFADRO C[C@@H](NC(=O)COCCc1ccc(Br)cc1)C1=CC[N@H+](C)CC1 ZINC000907284724 664019816 /nfs/dbraw/zinc/01/98/16/664019816.db2.gz XVLSLRHBZBXHOO-CQSZACIVSA-N 1 0 381.314 2.775 20 0 GFADRO Cc1ccc(C[N@H+]2CC[C@H](CN(C)S(=O)(=O)c3cnc(C)s3)C2)s1 ZINC000907343376 664026005 /nfs/dbraw/zinc/02/60/05/664026005.db2.gz CEGUHVXQXDGXIV-CQSZACIVSA-N 1 0 385.580 2.964 20 0 GFADRO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)S(=O)(=O)N3CCCC[C@@H]3C)C2)s1 ZINC000907346901 664026572 /nfs/dbraw/zinc/02/65/72/664026572.db2.gz PIRXCMWKTRPSTI-RDJZCZTQSA-N 1 0 385.599 2.929 20 0 GFADRO O=C(NCc1ccc(I)cc1Cl)C12CC[NH+](CC1)C2 ZINC000907921634 664071564 /nfs/dbraw/zinc/07/15/64/664071564.db2.gz LFUFLNUNEWOHAC-UHFFFAOYSA-N 1 0 390.652 2.657 20 0 GFADRO CCOc1cc(Br)c(F)cc1NC(=O)c1ccnn1CC[NH+](C)C ZINC000908304422 664098193 /nfs/dbraw/zinc/09/81/93/664098193.db2.gz VBIKROZQSLHXNW-UHFFFAOYSA-N 1 0 399.264 2.997 20 0 GFADRO O=C(CNC(=O)c1cnc(Cl)c(Cl)c1)NCCCCC[NH+]1CCCC1 ZINC000908427232 664105674 /nfs/dbraw/zinc/10/56/74/664105674.db2.gz MBBSIYLHDKFGSP-UHFFFAOYSA-N 1 0 387.311 2.501 20 0 GFADRO COc1cc(C)c(Br)cc1C(=O)N1CCC(CO)([NH2+]C(C)C)CC1 ZINC000908604905 664117095 /nfs/dbraw/zinc/11/70/95/664117095.db2.gz OEOFOYRPLLCSSF-UHFFFAOYSA-N 1 0 399.329 2.731 20 0 GFADRO Cc1cc(C[NH+](C)C)ccc1NC(=O)c1cc(I)nn1C ZINC000909591284 664164431 /nfs/dbraw/zinc/16/44/31/664164431.db2.gz FHXWZSFBEUTAND-UHFFFAOYSA-N 1 0 398.248 2.647 20 0 GFADRO CC[N@@H+]1CCCN(C(=O)[C@]2(C)CC2(Br)Br)[C@H](C)C1 ZINC000910268015 664203955 /nfs/dbraw/zinc/20/39/55/664203955.db2.gz VPFYHHMEIBBYDM-PWSUYJOCSA-N 1 0 382.140 2.825 20 0 GFADRO O=C(C[NH+]1CCCC1)N1CCc2[nH]cnc2[C@@H]1c1ccc(Br)cc1 ZINC000911253177 664240508 /nfs/dbraw/zinc/24/05/08/664240508.db2.gz QSTJJJLABRRVJL-SFHVURJKSA-N 1 0 389.297 2.742 20 0 GFADRO CCn1c(Br)ncc1C(=O)NC[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000911548749 664248501 /nfs/dbraw/zinc/24/85/01/664248501.db2.gz PSPWKMCQQGLQFC-CABCVRRESA-N 1 0 391.313 2.741 20 0 GFADRO COc1cc(CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)c(Br)cc1O ZINC000911605955 664250172 /nfs/dbraw/zinc/25/01/72/664250172.db2.gz JNMYBTFPHGOGSG-JSGCOSHPSA-N 1 0 383.286 2.796 20 0 GFADRO O=C(c1cc2ccc(Br)cc2c(=O)o1)N(C1CC1)C1CC[NH2+]CC1 ZINC000911677046 664252399 /nfs/dbraw/zinc/25/23/99/664252399.db2.gz KOQGAKMQSRNVEN-UHFFFAOYSA-N 1 0 391.265 2.912 20 0 GFADRO O=C(N[C@@H]1CCC[NH2+]C1)c1c(Cl)ccc(I)c1F ZINC000911672146 664252425 /nfs/dbraw/zinc/25/24/25/664252425.db2.gz AVCUTCDSODRKFV-SSDOTTSWSA-N 1 0 382.604 2.566 20 0 GFADRO C[NH2+]Cc1ccccc1NC(=O)c1cc(Br)cn(C2CC2)c1=O ZINC000911682899 664252857 /nfs/dbraw/zinc/25/28/57/664252857.db2.gz RHOOAXRGOCXKCN-UHFFFAOYSA-N 1 0 376.254 2.917 20 0 GFADRO CC[NH+]1CCN(CCNc2ccc(-c3nnc(Br)o3)cc2)CC1 ZINC000911693050 664253376 /nfs/dbraw/zinc/25/33/76/664253376.db2.gz ZCDJVANAKXHWBO-UHFFFAOYSA-N 1 0 380.290 2.549 20 0 GFADRO CCCN(C(=O)c1cc(Br)cnc1Br)[C@@H]1CC[NH2+]C1 ZINC000911768396 664256099 /nfs/dbraw/zinc/25/60/99/664256099.db2.gz PYDSDXYQRKROJO-SNVBAGLBSA-N 1 0 391.107 2.821 20 0 GFADRO C[C@@H]1CN(C(=O)c2ccc(Cn3cc(Br)cn3)s2)C[C@H](C)[NH2+]1 ZINC000911799502 664256626 /nfs/dbraw/zinc/25/66/26/664256626.db2.gz YZDWPQQSHQOSOJ-PHIMTYICSA-N 1 0 383.315 2.578 20 0 GFADRO Brc1nnc(-c2ccc(NC[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)cc2)o1 ZINC000911801888 664256666 /nfs/dbraw/zinc/25/66/66/664256666.db2.gz GSFSRJXBARVFSB-ZIAGYGMSSA-N 1 0 379.258 2.774 20 0 GFADRO C[NH2+]C1CCN(C(=O)c2ccc(Cn3cc(Br)cn3)s2)CC1 ZINC000911786055 664256713 /nfs/dbraw/zinc/25/67/13/664256713.db2.gz CHFSEKJKBGJHET-UHFFFAOYSA-N 1 0 383.315 2.579 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)c2cnn(Cc3ccccc3)c2Br)C1 ZINC000911827166 664257571 /nfs/dbraw/zinc/25/75/71/664257571.db2.gz UIJODPDPZXHFLM-DZGCQCFKSA-N 1 0 391.313 2.893 20 0 GFADRO Cc1cc(I)ccc1NC(=O)C1([C@@H](C)[NH3+])CCOCC1 ZINC000911920059 664261973 /nfs/dbraw/zinc/26/19/73/664261973.db2.gz RUJPKRFKPGDNPL-LLVKDONJSA-N 1 0 388.249 2.682 20 0 GFADRO C[NH+]1CCC(N(CCO)C(=O)c2cc(Cl)cc(Br)c2F)CC1 ZINC000911943683 664263198 /nfs/dbraw/zinc/26/31/98/664263198.db2.gz PDNWJYNEFCHPMT-UHFFFAOYSA-N 1 0 393.684 2.770 20 0 GFADRO CN(Cc1ccccc1Br)C(=O)[C@@H]1CC[NH2+][C@H]([C@@H]2CCCO2)C1 ZINC000911998675 664265591 /nfs/dbraw/zinc/26/55/91/664265591.db2.gz RYZVBGBWKPDAIA-COXVUDFISA-N 1 0 381.314 2.955 20 0 GFADRO [NH3+][C@@H]1C[C@H](C(=O)Nc2ccnn2Cc2ccc(Br)cc2)[C@H]2C[C@H]21 ZINC000912114565 664270975 /nfs/dbraw/zinc/27/09/75/664270975.db2.gz VFDDZPKJYCYNOB-LJISPDSOSA-N 1 0 375.270 2.616 20 0 GFADRO O=C(Nc1nnc(C(F)(F)F)s1)c1cnc(CC2CC[NH2+]CC2)s1 ZINC000912235930 664276967 /nfs/dbraw/zinc/27/69/67/664276967.db2.gz DMKNMAJEWWARCJ-UHFFFAOYSA-N 1 0 377.417 2.808 20 0 GFADRO O=C(NCc1cc(F)ccc1Br)[C@@H]1CC[NH2+][C@@H]([C@@H]2CCCO2)C1 ZINC000912269508 664279139 /nfs/dbraw/zinc/27/91/39/664279139.db2.gz FTMVOWDUEADVLO-LYRGGWFBSA-N 1 0 385.277 2.752 20 0 GFADRO COc1cc(NC(=O)[C@@H]2CC[NH2+][C@@H]([C@H]3CCCO3)C2)ccc1Br ZINC000912438683 664286866 /nfs/dbraw/zinc/28/68/66/664286866.db2.gz QYAHXGBKRXGAOR-KCPJHIHWSA-N 1 0 383.286 2.943 20 0 GFADRO COc1ccc(Br)c(C(=O)N2CCC(CO)([NH2+]CC(C)C)CC2)c1 ZINC000912594651 664294436 /nfs/dbraw/zinc/29/44/36/664294436.db2.gz FLJNPYNPOLVTRH-UHFFFAOYSA-N 1 0 399.329 2.670 20 0 GFADRO C[C@@H](C[NH+](C)C)[C@H]1CCCCN1C(=O)c1cnn2cc(Br)cnc12 ZINC000912810063 664303336 /nfs/dbraw/zinc/30/33/36/664303336.db2.gz ONFMUSHMJXXMTI-SWLSCSKDSA-N 1 0 394.317 2.684 20 0 GFADRO C[C@@H](C[NH+](C)C)[C@H]1CCCCN1C(=O)c1nccn2c(Br)cnc12 ZINC000912809693 664303339 /nfs/dbraw/zinc/30/33/39/664303339.db2.gz KDDNGRAOLPPRDK-QWHCGFSZSA-N 1 0 394.317 2.684 20 0 GFADRO O=C(c1cnn(-c2cccc(Br)c2)c1)N1CCC([NH+]2CCC2)CC1 ZINC000912879244 664307337 /nfs/dbraw/zinc/30/73/37/664307337.db2.gz SGTMRKPTIXMCNC-UHFFFAOYSA-N 1 0 389.297 2.945 20 0 GFADRO O=C(NCc1ccnc(Br)c1)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000913076509 664320040 /nfs/dbraw/zinc/32/00/40/664320040.db2.gz AYFLSNVSUXPSGL-AWEZNQCLSA-N 1 0 384.343 2.678 20 0 GFADRO C[N@@H+]1C[C@@]2(C)CN(C(=O)Cc3noc4ccc(Br)cc43)C[C@@]2(C)C1 ZINC000913273384 664330720 /nfs/dbraw/zinc/33/07/20/664330720.db2.gz FDTPXBMOZZBYKK-HDICACEKSA-N 1 0 392.297 2.933 20 0 GFADRO Cc1c2cc(C(=O)N3CCC(O)(C[NH+](C)C)CC3)[nH]c2ccc1Br ZINC000913675596 664348929 /nfs/dbraw/zinc/34/89/29/664348929.db2.gz ACQZCHRJODRMCP-UHFFFAOYSA-N 1 0 394.313 2.768 20 0 GFADRO CC(C)[NH+]1CCN(CCCC(=O)N[C@@H](C)c2ccncc2Br)CC1 ZINC000913807406 664359352 /nfs/dbraw/zinc/35/93/52/664359352.db2.gz HLCHBUJDFYQJGF-HNNXBMFYSA-N 1 0 397.361 2.828 20 0 GFADRO CN(C1CC[NH+](C)CC1)S(=O)(=O)Cc1cccc(Cl)c1Br ZINC000913820689 664359951 /nfs/dbraw/zinc/35/99/51/664359951.db2.gz HGDQFXSGVNKUIU-UHFFFAOYSA-N 1 0 395.750 2.958 20 0 GFADRO C[N@@H+]1CCC[C@H](CNS(=O)(=O)Cc2cccc(Cl)c2Br)C1 ZINC000914081187 664375233 /nfs/dbraw/zinc/37/52/33/664375233.db2.gz RBXHOZCFLDIQCI-LLVKDONJSA-N 1 0 395.750 2.864 20 0 GFADRO O=S(=O)(C[C@@]12CC[N@H+](C1)CCC2)N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000914127729 664378482 /nfs/dbraw/zinc/37/84/82/664378482.db2.gz PHRRAYZDBIYMAI-NSHDSACASA-N 1 0 394.381 2.619 20 0 GFADRO O=S(=O)(c1cscc1C(F)F)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000914212214 664386326 /nfs/dbraw/zinc/38/63/26/664386326.db2.gz QUPKTRYNXRMZPE-UHFFFAOYSA-N 1 0 394.509 2.951 20 0 GFADRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)NC1(c2ncc(Br)cn2)CCC1 ZINC000914219855 664387156 /nfs/dbraw/zinc/38/71/56/664387156.db2.gz CRXHBZQRFMEVQH-KBPBESRZSA-N 1 0 394.317 2.544 20 0 GFADRO CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)NCCc1ccc(Cl)s1)C2 ZINC000914231329 664388857 /nfs/dbraw/zinc/38/88/57/664388857.db2.gz GYRPFSQKJIUWOY-DEICHXMPSA-N 1 0 385.961 2.723 20 0 GFADRO O=C(OCC[NH+]1CCCCC1)c1cn(-c2ccccc2Br)nn1 ZINC000914708744 664414602 /nfs/dbraw/zinc/41/46/02/664414602.db2.gz FYORTJYEHPXIMS-UHFFFAOYSA-N 1 0 379.258 2.673 20 0 GFADRO Cc1ccc(/C=C/C(=O)NCCCC[NH+]2CCN(C)CC2)c(Br)c1 ZINC000915265905 664425724 /nfs/dbraw/zinc/42/57/24/664425724.db2.gz RJTXEMRJPHSTPH-BQYQJAHWSA-N 1 0 394.357 2.915 20 0 GFADRO O=S(=O)(/C=C/c1ccc(Cl)cc1)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000915354547 664428915 /nfs/dbraw/zinc/42/89/15/664428915.db2.gz IJDYQBDWSHHFCQ-ODHXBGJQSA-N 1 0 384.929 2.827 20 0 GFADRO CC[C@H](CO)[NH2+][C@H](C)C(=O)Nc1ccc(Br)cc1Br ZINC000915875544 664443378 /nfs/dbraw/zinc/44/33/78/664443378.db2.gz QDCHQYDFPCHBQP-PSASIEDQSA-N 1 0 394.107 2.899 20 0 GFADRO C[N@@H+]1CCC[C@]2(CCN(S(=O)(=O)c3cnc(-c4ccccc4)s3)C2)C1 ZINC000915893515 664443834 /nfs/dbraw/zinc/44/38/34/664443834.db2.gz XWXOEMSNAYBQDM-SFHVURJKSA-N 1 0 377.535 2.917 20 0 GFADRO Cc1nc(C2CCN(S(=O)(=O)C[C@@]34CC[N@H+](C3)CCC4)CC2)sc1C ZINC000916244231 664454769 /nfs/dbraw/zinc/45/47/69/664454769.db2.gz LYOFZDQDGZOVQP-SFHVURJKSA-N 1 0 383.583 2.755 20 0 GFADRO O=C(C[NH2+]C[C@H](O)c1ccccc1)Nc1ccc(I)cc1 ZINC000916570946 664465078 /nfs/dbraw/zinc/46/50/78/664465078.db2.gz HMLFDPQNLPUAAH-HNNXBMFYSA-N 1 0 396.228 2.553 20 0 GFADRO C[C@H](C[NH+](C)C)[C@H]1CCCCN1S(=O)(=O)c1occc1Br ZINC000917867741 664491424 /nfs/dbraw/zinc/49/14/24/664491424.db2.gz YDWKXPQYCVGJGA-DGCLKSJQSA-N 1 0 379.320 2.783 20 0 GFADRO Nc1cc[nH+]c2c1CN(S(=O)(=O)c1cc(C(F)(F)F)ccc1F)CC2 ZINC000918899413 664506285 /nfs/dbraw/zinc/50/62/85/664506285.db2.gz DVDFSEUINBRNKK-UHFFFAOYSA-N 1 0 375.347 2.569 20 0 GFADRO Cc1cc(Br)cc(C)c1S(=O)(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000919725660 664517288 /nfs/dbraw/zinc/51/72/88/664517288.db2.gz CCTQKXIZMMYDGA-GJZGRUSLSA-N 1 0 387.343 2.971 20 0 GFADRO Cc1ccc(C[N@@H+]2CCCN(C(=O)Cn3ccnc3Br)CC2)cc1 ZINC000919882542 664519247 /nfs/dbraw/zinc/51/92/47/664519247.db2.gz JIOUBBULGVOLLF-UHFFFAOYSA-N 1 0 391.313 2.689 20 0 GFADRO CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NS(=O)(=O)c3cc(C)sc3C)C2)[C@@H]1C(C)C ZINC000920294764 664524586 /nfs/dbraw/zinc/52/45/86/664524586.db2.gz CTFMHOKJOPMSGC-XYVMCAHJSA-N 1 0 386.583 2.513 20 0 GFADRO CC[NH+]1CCC(CCNC(=O)N(C)Cc2ncc(Br)cn2)CC1 ZINC000920514265 664527322 /nfs/dbraw/zinc/52/73/22/664527322.db2.gz CFWITLLKYYPOHM-UHFFFAOYSA-N 1 0 384.322 2.503 20 0 GFADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)Nc1ccc2nc(SC)sc2c1 ZINC000921129515 664537837 /nfs/dbraw/zinc/53/78/37/664537837.db2.gz ZKXMGPRMNZEPNM-NSHDSACASA-N 1 0 380.539 2.803 20 0 GFADRO C[NH+]1CCN(c2ncccc2CNC(=S)Nc2cccc(Cl)c2)CC1 ZINC000921145095 664538032 /nfs/dbraw/zinc/53/80/32/664538032.db2.gz YIRJUMHXRJKCRJ-UHFFFAOYSA-N 1 0 375.929 2.973 20 0 GFADRO C[C@H](NC(=O)NC[C@@H]1CC[N@@H+]1C)c1nc(-c2ccc(Br)cc2)no1 ZINC000921464583 664549604 /nfs/dbraw/zinc/54/96/04/664549604.db2.gz MXUGSWFQGCQRFJ-GWCFXTLKSA-N 1 0 394.273 2.563 20 0 GFADRO C[NH+](C)CC[C@H](NS(=O)(=O)C[C@]1(C)CC1(Cl)Cl)c1cccnc1 ZINC000921479197 664549991 /nfs/dbraw/zinc/54/99/91/664549991.db2.gz CWRQOPQCZYTDTQ-KBPBESRZSA-N 1 0 380.341 2.578 20 0 GFADRO C[NH+](C)CC[C@H](NS(=O)(=O)Cc1ccc(F)c(Cl)c1)c1cccnc1 ZINC000921481152 664550124 /nfs/dbraw/zinc/55/01/24/664550124.db2.gz BSRPJEHZPMGGSQ-KRWDZBQOSA-N 1 0 385.892 2.987 20 0 GFADRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N(C)Cc2ncc(Br)cn2)C1 ZINC000921566008 664553572 /nfs/dbraw/zinc/55/35/72/664553572.db2.gz RJVXBCBMJVXRAL-CQSZACIVSA-N 1 0 398.349 2.749 20 0 GFADRO Brc1ccc(N2CC[C@H](C[NH2+]Cc3cnc4n3CCOC4)C2)cc1 ZINC000921577307 664554899 /nfs/dbraw/zinc/55/48/99/664554899.db2.gz HJNZAVCZADUZMZ-CQSZACIVSA-N 1 0 391.313 2.792 20 0 GFADRO C[NH+](C)CC[C@H](NC(=O)N[C@@H]1CC[C@H]2SCCS[C@H]12)c1cccnc1 ZINC000921698158 664561642 /nfs/dbraw/zinc/56/16/42/664561642.db2.gz OUGURGQALSDSNV-YLFCFFPRSA-N 1 0 380.583 2.753 20 0 GFADRO Cc1ccc([C@H](C[NH2+]Cc2nc(Br)c[nH]2)N2CCOCC2)s1 ZINC000921703493 664562318 /nfs/dbraw/zinc/56/23/18/664562318.db2.gz YWQOHYNLXMXOMT-LBPRGKRZSA-N 1 0 385.331 2.705 20 0 GFADRO Cc1nc(C[NH2+][C@@H]2CCN(c3ccccc3C(N)=O)C2)sc1Br ZINC000921730264 664564998 /nfs/dbraw/zinc/56/49/98/664564998.db2.gz XDKYURSRDNXURF-LLVKDONJSA-N 1 0 395.326 2.681 20 0 GFADRO CCn1c(C[NH2+]CC(C)(C)CCO)nc(Br)c1Br ZINC000921803554 664569750 /nfs/dbraw/zinc/56/97/50/664569750.db2.gz WEEWJQFNFNBRSQ-UHFFFAOYSA-N 1 0 383.128 2.926 20 0 GFADRO C[C@H](CCS(C)(=O)=O)[NH2+]Cc1cc2c(cc(F)cc2Br)[nH]1 ZINC000921851401 664572221 /nfs/dbraw/zinc/57/22/21/664572221.db2.gz YGKFJBQDHKMDHK-SECBINFHSA-N 1 0 377.279 2.982 20 0 GFADRO Cc1cc(C[NH2+][C@H](CO)C2CCOCC2)c(C)cc1I ZINC000921983001 664580212 /nfs/dbraw/zinc/58/02/12/664580212.db2.gz KVSZSYZNJVNMPE-MRXNPFEDSA-N 1 0 389.277 2.785 20 0 GFADRO O=C1[C@@H]([NH2+]Cc2cnn(CCF)c2)CCN1c1cccc(Br)c1 ZINC000922067910 664583860 /nfs/dbraw/zinc/58/38/60/664583860.db2.gz FMPRBKCKJOPKDA-HNNXBMFYSA-N 1 0 381.249 2.510 20 0 GFADRO Brc1cnn(CCCC[NH2+]Cc2nc(Br)c[nH]2)c1 ZINC000922078079 664584575 /nfs/dbraw/zinc/58/45/75/664584575.db2.gz SHZPNUVHHPUAEB-UHFFFAOYSA-N 1 0 377.084 2.701 20 0 GFADRO O=S(=O)(NCC[NH2+][C@@H]1CC[C@H]2COCC[C@H]2C1)c1ccc(F)cc1Cl ZINC000922108855 664585970 /nfs/dbraw/zinc/58/59/70/664585970.db2.gz LXJDTQCJMPJDIN-KCQAQPDRSA-N 1 0 390.908 2.552 20 0 GFADRO Cc1cc(C[NH2+]CCC2(O)CCOCC2)c(C)cc1I ZINC000922120560 664586633 /nfs/dbraw/zinc/58/66/33/664586633.db2.gz HVALGSJSKZGCGF-UHFFFAOYSA-N 1 0 389.277 2.929 20 0 GFADRO CC(C)(C)OC(=O)N1C[C@@H](F)C[C@H]1C[NH2+]Cc1nc(Br)c[nH]1 ZINC000922144330 664587780 /nfs/dbraw/zinc/58/77/80/664587780.db2.gz WYKWONAGIPAVIN-UWVGGRQHSA-N 1 0 377.258 2.609 20 0 GFADRO Cc1nc(C[NH2+]CC(C)(C)[C@@H]2COCC23OCCO3)sc1Br ZINC000922177288 664589049 /nfs/dbraw/zinc/58/90/49/664589049.db2.gz HPPSDSAGMOPYPG-NSHDSACASA-N 1 0 391.331 2.719 20 0 GFADRO CC[N@H+](CCNC(=O)N[C@H]([C@H]1CCOC1)C(F)(F)F)CCC(F)(F)F ZINC000922188078 664589646 /nfs/dbraw/zinc/58/96/46/664589646.db2.gz NUQUJVXIXVMYQT-WDEREUQCSA-N 1 0 379.345 2.527 20 0 GFADRO CC[N@H+](CCNC(=O)NC[C@@H]1CC[C@H](C(F)(F)F)O1)CCC(F)(F)F ZINC000922188248 664589721 /nfs/dbraw/zinc/58/97/21/664589721.db2.gz TXUJZKBLOZGAAD-WDEREUQCSA-N 1 0 379.345 2.670 20 0 GFADRO CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NCc1ncc(Br)cc1F)C2 ZINC000922389650 664598513 /nfs/dbraw/zinc/59/85/13/664598513.db2.gz IWNZNCHJSVRWEB-SIXLDLHFSA-N 1 0 386.309 2.553 20 0 GFADRO CC(C)(C)NS(=O)(=O)C1(C[NH2+]Cc2c[nH]nc2-c2ccsc2)CCC1 ZINC000922474521 664603336 /nfs/dbraw/zinc/60/33/36/664603336.db2.gz PLDJJXJCUIXUIU-UHFFFAOYSA-N 1 0 382.555 2.868 20 0 GFADRO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NC(=O)NC[C@@]3(C)CC3(Cl)Cl)C2)[C@H]1C(C)C ZINC000922708816 664611460 /nfs/dbraw/zinc/61/14/60/664611460.db2.gz IUXLSBNNCCALQY-ZJPZJRRFSA-N 1 0 392.371 2.739 20 0 GFADRO O=C1C[C@H](CC[NH2+]Cc2ccc(OC(F)(F)F)c(Br)c2)CN1 ZINC000922782357 664614313 /nfs/dbraw/zinc/61/43/13/664614313.db2.gz IDDFAMCDXSPBNG-JTQLQIEISA-N 1 0 381.192 2.964 20 0 GFADRO O=C(C(=O)N1CCC([NH2+]C2CCOCC2)CC1)c1cc(Cl)cc(Cl)c1 ZINC000922848079 664616321 /nfs/dbraw/zinc/61/63/21/664616321.db2.gz MJUHHULDDXGZJO-UHFFFAOYSA-N 1 0 385.291 2.936 20 0 GFADRO O=C(COc1ccc(Br)cc1)N1CCC([NH2+]C2CCOCC2)CC1 ZINC000922849616 664616435 /nfs/dbraw/zinc/61/64/35/664616435.db2.gz YGZAJPADGIJFFR-UHFFFAOYSA-N 1 0 397.313 2.588 20 0 GFADRO COc1cc(C[NH2+]C[C@H]2CCN2C2CCOCC2)c(F)cc1Br ZINC000922956610 664619970 /nfs/dbraw/zinc/61/99/70/664619970.db2.gz XQLRWUNXZRURIG-CQSZACIVSA-N 1 0 387.293 2.940 20 0 GFADRO Cn1nccc1[C@H](O)C[NH2+]Cc1cc(Br)cc(Br)c1 ZINC000922970854 664620332 /nfs/dbraw/zinc/62/03/32/664620332.db2.gz TVOXUJQWOXZZDQ-CYBMUJFWSA-N 1 0 389.091 2.768 20 0 GFADRO C[NH+](C)C1(CNC(=O)N[C@H](CO)c2ccc(Cl)cc2C(F)(F)F)CC1 ZINC000922997280 664620577 /nfs/dbraw/zinc/62/05/77/664620577.db2.gz XRMFVIGBZBBBTI-CYBMUJFWSA-N 1 0 379.810 2.786 20 0 GFADRO Cn1nnc2c1C[C@H]([NH2+]Cc1cc(Br)ccc1OC(F)F)CC2 ZINC000922996793 664620651 /nfs/dbraw/zinc/62/06/51/664620651.db2.gz QHKLESCIOKKQBE-LLVKDONJSA-N 1 0 387.228 2.826 20 0 GFADRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)N2CCc3ccc(Br)c(F)c3C2)C1 ZINC000923119727 664622370 /nfs/dbraw/zinc/62/23/70/664622370.db2.gz QZWPCQYGVPJYPA-BJHJDKERSA-N 1 0 384.293 2.996 20 0 GFADRO Clc1ncccc1CN1CC[NH2+]CCN(Cc2cccnc2Cl)CC1 ZINC000923393983 664629502 /nfs/dbraw/zinc/62/95/02/664629502.db2.gz BDOWJJFWYMXWBQ-UHFFFAOYSA-N 1 0 380.323 2.691 20 0 GFADRO [NH3+]C[C@@H]1CN(C[C@H](O)COc2cc(Cl)ccc2Cl)C[C@@H]1C(F)(F)F ZINC000923423932 664630175 /nfs/dbraw/zinc/63/01/75/664630175.db2.gz CUHMVZILWBKTDL-USWWRNFRSA-N 1 0 387.229 2.802 20 0 GFADRO C[C@@H]1CN(Cc2csc(-c3ccc(S(C)(=O)=O)cc3)n2)CC[C@H]1C[NH3+] ZINC000923501649 664631464 /nfs/dbraw/zinc/63/14/64/664631464.db2.gz RTSYAXUYXZVWML-HIFRSBDPSA-N 1 0 379.551 2.630 20 0 GFADRO Cn1ncc(Br)c1CN1C[C@@H](C[C@H]2COCC[NH2+]2)c2ccccc21 ZINC000923539435 664633363 /nfs/dbraw/zinc/63/33/63/664633363.db2.gz FGCFLDBSCGKZLB-KGLIPLIRSA-N 1 0 391.313 2.665 20 0 GFADRO CCC1([NH+]2CCCC2)CCN(C(=O)NCc2cnc(Br)cn2)CC1 ZINC000923547822 664633804 /nfs/dbraw/zinc/63/38/04/664633804.db2.gz WYVAJIPNVYATAJ-UHFFFAOYSA-N 1 0 396.333 2.789 20 0 GFADRO Cc1ccc(Br)c(CS(=O)(=O)N2CC[C@H](C[NH3+])[C@@H](C)C2)c1 ZINC000923698358 664636244 /nfs/dbraw/zinc/63/62/44/664636244.db2.gz CFVSKTIOHLKGFR-QWHCGFSZSA-N 1 0 375.332 2.504 20 0 GFADRO [NH3+]C[C@@]1(c2ccccc2)C[C@H](NS(=O)(=O)Cc2cc(Cl)ccc2F)C1 ZINC000923739385 664637382 /nfs/dbraw/zinc/63/73/82/664637382.db2.gz HMHFGCJFUQSRPO-MAEOIBBWSA-N 1 0 382.888 2.958 20 0 GFADRO C[C@H]([NH2+]C[C@H](c1cccs1)N1CCCC1)C1CCN(S(C)(=O)=O)CC1 ZINC000924531810 664656898 /nfs/dbraw/zinc/65/68/98/664656898.db2.gz OMRAHFIBEDSHID-DOTOQJQBSA-N 1 0 385.599 2.535 20 0 GFADRO CNC(=O)CN1CCC([NH2+][C@H](C)c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000924649321 664659197 /nfs/dbraw/zinc/65/91/97/664659197.db2.gz ZGKVXIJFARUSKJ-SNVBAGLBSA-N 1 0 378.826 2.615 20 0 GFADRO COc1cc(C[NH2+][C@H](C)C2(Br)CC2)ccc1OCC(=O)N(C)C ZINC000924817796 664662275 /nfs/dbraw/zinc/66/22/75/664662275.db2.gz LXOVZOKZIPTJAT-GFCCVEGCSA-N 1 0 385.302 2.568 20 0 GFADRO C[C@@H]([NH2+]Cc1csc(-c2ccccc2)n1)C1CCN(S(C)(=O)=O)CC1 ZINC000924826539 664662484 /nfs/dbraw/zinc/66/24/84/664662484.db2.gz KZFPDKKRYBDUSK-CQSZACIVSA-N 1 0 379.551 2.960 20 0 GFADRO CCn1nc(C)c([C@@H](C)[NH2+]CCCNC(=O)c2cccc(Br)c2)n1 ZINC000924891815 664663803 /nfs/dbraw/zinc/66/38/03/664663803.db2.gz RCKRHTYNJNNQQG-GFCCVEGCSA-N 1 0 394.317 2.840 20 0 GFADRO COc1ccc(Br)c(C(=O)NCCC[NH2+][C@@H]2CO[C@@H](C)[C@@H]2C)c1 ZINC000925015682 664665186 /nfs/dbraw/zinc/66/51/86/664665186.db2.gz LLSALMYEQWHQEX-MQIPJXDCSA-N 1 0 385.302 2.591 20 0 GFADRO CCS[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)c1ccc(S(=O)(=O)CC(N)=O)cc1 ZINC000925228215 664669059 /nfs/dbraw/zinc/66/90/59/664669059.db2.gz XLTQEHBTJIRGTJ-IAOVAPTHSA-N 1 0 384.567 2.661 20 0 GFADRO O=S(=O)(N1CCC([NH2+][C@@H]2CCc3c2nccc3Cl)CC1)C(F)(F)F ZINC000925262621 664669408 /nfs/dbraw/zinc/66/94/08/664669408.db2.gz MQHLEXYZWCXTQG-GFCCVEGCSA-N 1 0 383.823 2.626 20 0 GFADRO CC[N@@H+]1CC[C@@H](N2C(=O)N[C@@H](c3ccc(Br)c(Cl)c3)C2=O)C1 ZINC000925319936 664670442 /nfs/dbraw/zinc/67/04/42/664670442.db2.gz DGUYZCUMLJVCBA-MFKMUULPSA-N 1 0 386.677 2.790 20 0 GFADRO CCC[N@@H+]1CC[C@H](N2C(=O)CN(Cc3cccc(Br)c3)C2=O)C1 ZINC000925350700 664670685 /nfs/dbraw/zinc/67/06/85/664670685.db2.gz ABDJEIZHQXNGTN-HNNXBMFYSA-N 1 0 380.286 2.698 20 0 GFADRO O=C1N[C@@H](c2ccc(Br)cc2)C(=O)N1CC1CC[NH+](C2CC2)CC1 ZINC000925385464 664671511 /nfs/dbraw/zinc/67/15/11/664671511.db2.gz PAOKWDVRMSIBED-INIZCTEOSA-N 1 0 392.297 2.916 20 0 GFADRO O[C@H](C[NH2+][C@H](C1CC1)[C@H]1CCCOC1)COc1ccccc1Br ZINC000925544712 664672961 /nfs/dbraw/zinc/67/29/61/664672961.db2.gz UUVCQJFXKIHTKK-HDMKZQKVSA-N 1 0 384.314 2.984 20 0 GFADRO O[C@H](C[NH2+][C@@H](C1CC1)[C@@H]1CCCOC1)COc1ccccc1Br ZINC000925544715 664672985 /nfs/dbraw/zinc/67/29/85/664672985.db2.gz UUVCQJFXKIHTKK-RKVPGOIHSA-N 1 0 384.314 2.984 20 0 GFADRO CN(CC[NH2+][C@@H]1CCC[C@H]1Cc1ccccn1)S(=O)(=O)c1cccs1 ZINC000925577497 664673266 /nfs/dbraw/zinc/67/32/66/664673266.db2.gz SHUSKIAAGLHLTQ-DOTOQJQBSA-N 1 0 379.551 2.765 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CCN[C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000925598832 664673426 /nfs/dbraw/zinc/67/34/26/664673426.db2.gz MSYXIGGHJASBEM-BAAZUTBUSA-N 1 0 378.314 2.672 20 0 GFADRO [NH3+]C[C@H]1CC2(CO1)CCN(C(=O)Nc1ccc(F)c(Br)c1)CC2 ZINC000926046163 664679940 /nfs/dbraw/zinc/67/99/40/664679940.db2.gz LMWQORZJKJBTMJ-GFCCVEGCSA-N 1 0 386.265 2.950 20 0 GFADRO [NH3+]CC[C@@H]1CCN(C(=O)Nc2cnn(-c3ccccc3Br)c2)C1 ZINC000926075463 664680882 /nfs/dbraw/zinc/68/08/82/664680882.db2.gz CGUINOOYBMHGMG-GFCCVEGCSA-N 1 0 378.274 2.837 20 0 GFADRO [NH3+][C@]1(CO)CCCN(C(=O)Nc2ccc(C(F)(F)F)cc2Br)C1 ZINC000926077436 664680987 /nfs/dbraw/zinc/68/09/87/664680987.db2.gz WUSPIBVHBPRFGM-CYBMUJFWSA-N 1 0 396.207 2.785 20 0 GFADRO COC(=O)c1cc(NC(=O)N2CC[C@H](C[NH3+])[C@H](C)C2)ccc1Br ZINC000926085542 664681247 /nfs/dbraw/zinc/68/12/47/664681247.db2.gz WJQUZVWUAATINS-GHMZBOCLSA-N 1 0 384.274 2.684 20 0 GFADRO COc1cc(OC)c(NC(=O)N2CC[C@H](C[NH3+])[C@H](C)C2)cc1Br ZINC000926100799 664681765 /nfs/dbraw/zinc/68/17/65/664681765.db2.gz MUQDHSWTXFXIOC-GHMZBOCLSA-N 1 0 386.290 2.915 20 0 GFADRO COC(=O)c1cc(F)c(Br)cc1NC(=O)N1CC[C@H](CC[NH3+])C1 ZINC000926106801 664681981 /nfs/dbraw/zinc/68/19/81/664681981.db2.gz XFABDGWMUWQQCU-VIFPVBQESA-N 1 0 388.237 2.577 20 0 GFADRO [NH3+][C@@]1(CO)CCCN(C(=O)Nc2cc(F)c(Br)c(Cl)c2)C1 ZINC000926113902 664682095 /nfs/dbraw/zinc/68/20/95/664682095.db2.gz BXCBWOSOGWFGMT-ZDUSSCGKSA-N 1 0 380.645 2.559 20 0 GFADRO C[NH2+]C[C@@H]1CCCCN1C(=O)Nc1ccc2nccnc2c1Br ZINC000926117905 664682241 /nfs/dbraw/zinc/68/22/41/664682241.db2.gz XGXXTOPKMIKGNB-NSHDSACASA-N 1 0 378.274 2.998 20 0 GFADRO Cc1csc([C@@H](NC(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)C(F)(F)F)n1 ZINC000926131314 664682538 /nfs/dbraw/zinc/68/25/38/664682538.db2.gz XOMXZONGUAIGDM-BWZBUEFSSA-N 1 0 376.326 2.586 20 0 GFADRO Cc1ncc(C(=O)N[C@@H]2C[C@]3(C[N@@H+](C)[C@H]3C(C)C)C[C@H]2O)c(Cl)c1Cl ZINC000926170954 664683785 /nfs/dbraw/zinc/68/37/85/664683785.db2.gz SZKVJJZOGUANFC-MHRLRVJTSA-N 1 0 386.323 2.906 20 0 GFADRO CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NC(=O)c1ccc(Br)s1)C2 ZINC000926190051 664684437 /nfs/dbraw/zinc/68/44/37/664684437.db2.gz QPUNVAYGBIEXQU-MMYVAXCBSA-N 1 0 387.343 2.720 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCCc2sccc21)c1ccc(S(=O)(=O)CC(N)=O)cc1 ZINC000926187717 664684528 /nfs/dbraw/zinc/68/45/28/664684528.db2.gz CYWCRNCXHABLRW-BLLLJJGKSA-N 1 0 378.519 2.735 20 0 GFADRO C[C@H]([NH2+]Cc1ccc(N2CCCS2(=O)=O)c(F)c1)C1(Br)CC1 ZINC000926210076 664684754 /nfs/dbraw/zinc/68/47/54/664684754.db2.gz JZHUKKRTDNWZIC-NSHDSACASA-N 1 0 391.306 2.771 20 0 GFADRO C[C@H]([NH2+]C[C@H](c1ccccc1)C(F)(F)F)C1CCN(S(C)(=O)=O)CC1 ZINC000926216526 664684762 /nfs/dbraw/zinc/68/47/62/664684762.db2.gz KBSPCSKOYLIYOQ-XJKSGUPXSA-N 1 0 378.460 2.982 20 0 GFADRO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NC(=O)C[C@@]3(C)CC3(Cl)Cl)C2)[C@H]1C(C)C ZINC000926238183 664685122 /nfs/dbraw/zinc/68/51/22/664685122.db2.gz WQIJNWYSSIOPEB-ZLVKTETGSA-N 1 0 377.356 2.946 20 0 GFADRO CC(=O)N[C@@H](c1ccccc1F)[C@H](C)[NH2+]Cc1ccc(S(C)(=O)=O)s1 ZINC000926250422 664685485 /nfs/dbraw/zinc/68/54/85/664685485.db2.gz OOFJRUSWWXRIBU-APPDUMDISA-N 1 0 384.498 2.646 20 0 GFADRO O=S(=O)(NCC[NH2+][C@H](C1CC1)[C@@H]1CCCOC1)c1ccc(Cl)cc1F ZINC000926356114 664688437 /nfs/dbraw/zinc/68/84/37/664688437.db2.gz FTUCONKPGMDJHN-CXAGYDPISA-N 1 0 390.908 2.552 20 0 GFADRO O=S(=O)(NCCC[NH2+][C@H](C1CC1)C1CCOCC1)c1ccccc1Cl ZINC000926354598 664688468 /nfs/dbraw/zinc/68/84/68/664688468.db2.gz UNOSKAUXYGPOBV-GOSISDBHSA-N 1 0 386.945 2.803 20 0 GFADRO O=C1NCC2(CCOCC2)[C@H]1[NH2+]CCc1ccc(Br)cc1Cl ZINC000926493513 664690666 /nfs/dbraw/zinc/69/06/66/664690666.db2.gz BORCPSPCLCAKTM-AWEZNQCLSA-N 1 0 387.705 2.530 20 0 GFADRO C[C@H]([NH2+]Cc1ccc(OC(F)F)c(F)c1)C1CCN(S(C)(=O)=O)CC1 ZINC000926488630 664690698 /nfs/dbraw/zinc/69/06/98/664690698.db2.gz ICGFTDZZYQLZCA-NSHDSACASA-N 1 0 380.432 2.577 20 0 GFADRO Cc1ccc(C[C@H](CO)C[NH2+][C@@H](C)C[C@H]2CCC(=O)N2)cc1Br ZINC000926540393 664691879 /nfs/dbraw/zinc/69/18/79/664691879.db2.gz ZPQVQAIWACPRDJ-CWRNSKLLSA-N 1 0 383.330 2.555 20 0 GFADRO O[C@@H](C[NH2+][C@H](Cc1ccccc1Br)c1ccoc1)Cn1ccnn1 ZINC000926573658 664692606 /nfs/dbraw/zinc/69/26/06/664692606.db2.gz OONXFYLYAFGJRX-DOTOQJQBSA-N 1 0 391.269 2.568 20 0 GFADRO C[C@@H]([NH2+]CC(C)(C)[C@@H]1COCC12OCCO2)c1cccc(Br)n1 ZINC000926570213 664692703 /nfs/dbraw/zinc/69/27/03/664692703.db2.gz MVXCFLQBVKBUBY-OCCSQVGLSA-N 1 0 385.302 2.910 20 0 GFADRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]CC[S@](=O)CC(F)(F)F)C12CCC2 ZINC000926685631 664695259 /nfs/dbraw/zinc/69/52/59/664695259.db2.gz YLKRKALLBHYVNW-YDBLSZJJSA-N 1 0 384.464 2.819 20 0 GFADRO O=C1NCC2(CCOCC2)[C@@H]1[NH2+]CC1(Cc2ccc(Br)cc2)CC1 ZINC000926705367 664695575 /nfs/dbraw/zinc/69/55/75/664695575.db2.gz SXRSVRQWWCVZCQ-MRXNPFEDSA-N 1 0 393.325 2.657 20 0 GFADRO CN(C)[C@@H](CCNC(=O)N(CC[NH+](C)C)Cc1ccsc1)C(F)(F)F ZINC000926828969 664697416 /nfs/dbraw/zinc/69/74/16/664697416.db2.gz XXPWOKPNNXYLSX-AWEZNQCLSA-N 1 0 380.480 2.704 20 0 GFADRO C[C@@H]([NH2+][C@@H](C)c1ccc(C(F)(F)F)nc1)C1CCN(S(C)(=O)=O)CC1 ZINC000926834131 664697634 /nfs/dbraw/zinc/69/76/34/664697634.db2.gz DZQDVDSHLANPKI-NEPJUHHUSA-N 1 0 379.448 2.811 20 0 GFADRO CCO[C@H](CNC(=O)N1CCC[C@H]1c1ccc(Br)cn1)C[NH+](C)C ZINC000926846818 664697764 /nfs/dbraw/zinc/69/77/64/664697764.db2.gz TYJTUGJAKZIEIY-ZBFHGGJFSA-N 1 0 399.333 2.657 20 0 GFADRO CCO[C@@H](CNC(=O)N(C)Cc1cscc1Br)C[NH+](C)C ZINC000926852041 664697833 /nfs/dbraw/zinc/69/78/33/664697833.db2.gz WYXSMEXPQPNYIL-LBPRGKRZSA-N 1 0 378.336 2.619 20 0 GFADRO CCON1CCC([NH2+][C@@H]2CCc3cc(Br)ccc3NC2=O)CC1 ZINC000926863001 664698050 /nfs/dbraw/zinc/69/80/50/664698050.db2.gz ZCVOEHPLQFUCTQ-MRXNPFEDSA-N 1 0 382.302 2.708 20 0 GFADRO O=C1NCCN1CC[NH2+][C@H](Cc1ccccc1Br)c1ccco1 ZINC000926874543 664698210 /nfs/dbraw/zinc/69/82/10/664698210.db2.gz UYHWZYCOOQPZOR-OAHLLOKOSA-N 1 0 378.270 2.941 20 0 GFADRO O=C1CC[C@@H]([NH2+][C@@H]2CCCc3ncc(Br)cc32)[C@H]([C@H]2CCCO2)N1 ZINC000926881380 664698555 /nfs/dbraw/zinc/69/85/55/664698555.db2.gz UHXCIWFLMBEAPR-YFHUEUNASA-N 1 0 394.313 2.637 20 0 GFADRO CCS(=O)(=O)c1ccccc1CC[NH2+]C1CCC(O)(C(F)(F)F)CC1 ZINC000926908348 664698899 /nfs/dbraw/zinc/69/88/99/664698899.db2.gz IYOXYCTXQAYCQK-UHFFFAOYSA-N 1 0 379.444 2.848 20 0 GFADRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+]CC[C@H]2CC[C@@H](C(F)(F)F)O2)cc1 ZINC000926907098 664698900 /nfs/dbraw/zinc/69/89/00/664698900.db2.gz BKJYAZDCRHTBNM-LNSITVRQSA-N 1 0 380.432 2.745 20 0 GFADRO Cc1cc(C)c(S(N)(=O)=O)cc1[C@@H](C)[NH2+]CCc1nc2c(s1)CCC2 ZINC000926930349 664699205 /nfs/dbraw/zinc/69/92/05/664699205.db2.gz XGXMZUCEPKXQLU-CYBMUJFWSA-N 1 0 379.551 2.789 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCS[C@H](C)C1)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000927035046 664702769 /nfs/dbraw/zinc/70/27/69/664702769.db2.gz ZRGBYSRZNVCJRL-HLLBOEOZSA-N 1 0 384.567 2.642 20 0 GFADRO CN1CC[C@H]([NH2+]CCO[C@@H]2CCOC2)C[C@@H]1c1ccc(Br)cc1 ZINC000927082333 664703099 /nfs/dbraw/zinc/70/30/99/664703099.db2.gz DSXFXUUBBWSTJM-RCCFBDPRSA-N 1 0 383.330 2.980 20 0 GFADRO Cn1nnc2c1C[C@H]([NH2+][C@@H]1CCCOc3ccc(Br)cc31)CC2 ZINC000927143057 664705046 /nfs/dbraw/zinc/70/50/46/664705046.db2.gz BEZQQPBCVYWAAE-TZMCWYRMSA-N 1 0 377.286 2.938 20 0 GFADRO CN(Cc1ncc(Br)cn1)C(=O)NC1CCC(C)([NH+]2CCC2)CC1 ZINC000927307529 664707378 /nfs/dbraw/zinc/70/73/78/664707378.db2.gz OGDUXIALVXOFFP-UHFFFAOYSA-N 1 0 396.333 2.788 20 0 GFADRO Cc1cccc(C(=O)NCc2cc(N(C)C)cc[nH+]2)c1I ZINC000927706134 664714302 /nfs/dbraw/zinc/71/43/02/664714302.db2.gz MDIDIOLYWZIEDD-UHFFFAOYSA-N 1 0 395.244 2.991 20 0 GFADRO CCS(=O)(=O)c1ccc(Cl)c(C(=O)NCc2cc(N(C)C)cc[nH+]2)c1 ZINC000927703533 664714321 /nfs/dbraw/zinc/71/43/21/664714321.db2.gz KANSWZXQFONGDJ-UHFFFAOYSA-N 1 0 381.885 2.525 20 0 GFADRO CSc1ccc(Cl)cc1NC(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000927849075 664716808 /nfs/dbraw/zinc/71/68/08/664716808.db2.gz NPJQAFWAXMRFMM-VHSXEESVSA-N 1 0 395.834 2.739 20 0 GFADRO C[NH+](C)CCn1nccc1C(=O)N1CCC[C@H]1c1cncc(Br)c1 ZINC000928354413 664728719 /nfs/dbraw/zinc/72/87/19/664728719.db2.gz PTXHUFGSOQTZBL-HNNXBMFYSA-N 1 0 392.301 2.580 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000928440202 664732552 /nfs/dbraw/zinc/73/25/52/664732552.db2.gz KPPIWKODUJSFOT-MLGOLLRUSA-N 1 0 377.286 2.766 20 0 GFADRO C[N@@H+]1CC[C@@H]1CNC(=O)C1(Cc2ccc(F)cc2Br)CCOCC1 ZINC000928555209 664735019 /nfs/dbraw/zinc/73/50/19/664735019.db2.gz NKQVGBCQECQYDB-OAHLLOKOSA-N 1 0 399.304 2.748 20 0 GFADRO C[N@H+](CC(=O)N1CCCC[C@H]1c1ncc(Br)cn1)[C@H]1CCSC1 ZINC000928945359 664744004 /nfs/dbraw/zinc/74/40/04/664744004.db2.gz MRLIORCNJNGYGT-KBPBESRZSA-N 1 0 399.358 2.730 20 0 GFADRO C[C@H](C(=O)N(C)C1CC[NH+](C)CC1)c1ccc(I)cc1 ZINC000929120119 664746702 /nfs/dbraw/zinc/74/67/02/664746702.db2.gz RDCHHZLGAWPIAI-LBPRGKRZSA-N 1 0 386.277 2.947 20 0 GFADRO C[N@@H+]1CCCC[C@H](CNC(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)C1 ZINC000929306189 664749779 /nfs/dbraw/zinc/74/97/79/664749779.db2.gz WPCDCCHSMHACRV-GFCCVEGCSA-N 1 0 375.441 2.536 20 0 GFADRO CC[NH+](CC)[C@H](CNC(=O)C(=O)N[C@@H]1CCS[C@@H](C)C1)c1ccsc1 ZINC000929396130 664751672 /nfs/dbraw/zinc/75/16/72/664751672.db2.gz NBEWNXJQMMUQHP-NUEKZKHPSA-N 1 0 383.583 2.648 20 0 GFADRO Cc1c(Br)cc(F)cc1C(=O)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000929524216 664753743 /nfs/dbraw/zinc/75/37/43/664753743.db2.gz RPKZIAPKAOJOSZ-UHFFFAOYSA-N 1 0 398.320 2.750 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)C1(n2cc(Br)cn2)CC1)c1ccsc1 ZINC000929999840 664761122 /nfs/dbraw/zinc/76/11/22/664761122.db2.gz NLZQQEXJSZYCLP-ZDUSSCGKSA-N 1 0 383.315 2.615 20 0 GFADRO Cc1[nH]nc(Br)c1C(=O)NC[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000930012396 664761269 /nfs/dbraw/zinc/76/12/69/664761269.db2.gz ILGLJNAFCWBIDL-NSHDSACASA-N 1 0 377.286 2.657 20 0 GFADRO CCOc1ccc(Br)c(C(=O)NCCC[N@H+](C)CCOC)c1F ZINC000930215634 664764749 /nfs/dbraw/zinc/76/47/49/664764749.db2.gz WENSFEGMBOMNFQ-UHFFFAOYSA-N 1 0 391.281 2.685 20 0 GFADRO O[C@@H](C[NH+]1CCC(c2cccc(Br)c2)CC1)C[C@@]1(O)CCOC1 ZINC000930314790 664766932 /nfs/dbraw/zinc/76/69/32/664766932.db2.gz HPZKJXPQDCRBPU-MSOLQXFVSA-N 1 0 384.314 2.531 20 0 GFADRO Cn1cc(C2=NC[C@@H](C[NH2+][C@@H](CCO)c3ccc(Cl)c(Cl)c3)O2)cn1 ZINC000930458786 664771011 /nfs/dbraw/zinc/77/10/11/664771011.db2.gz YVLFDSZFENDHRD-CJNGLKHVSA-N 1 0 383.279 2.586 20 0 GFADRO COC(=O)c1ccc(Br)c(C[N@@H+]2CC[C@@H](C(=O)N3CCCC3)C2)c1 ZINC000930488948 664771669 /nfs/dbraw/zinc/77/16/69/664771669.db2.gz GUHVMWGZNJLJNR-CQSZACIVSA-N 1 0 395.297 2.680 20 0 GFADRO COc1cc(Br)c(NC(=O)COC2CC[NH+](C)CC2)cc1OC ZINC000930506469 664771996 /nfs/dbraw/zinc/77/19/96/664771996.db2.gz OMQZIKGSESBFGX-UHFFFAOYSA-N 1 0 387.274 2.516 20 0 GFADRO Cc1ccc(Br)c(NC(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)c1 ZINC000930589001 664773767 /nfs/dbraw/zinc/77/37/67/664773767.db2.gz PRVPFUPCIHFLGG-JKSUJKDBSA-N 1 0 382.302 2.820 20 0 GFADRO Cc1ccc(Br)c(NC(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)c1 ZINC000930588988 664773772 /nfs/dbraw/zinc/77/37/72/664773772.db2.gz PRVPFUPCIHFLGG-CVEARBPZSA-N 1 0 382.302 2.820 20 0 GFADRO CC[NH+]1CCC(CNC(=O)[C@@](C)(O)c2ccc(F)c(Br)c2)CC1 ZINC000930590801 664773934 /nfs/dbraw/zinc/77/39/34/664773934.db2.gz VNORGILJCYYDRZ-KRWDZBQOSA-N 1 0 387.293 2.644 20 0 GFADRO COc1cc(Br)cc(NC(=O)NC[C@H]2CC[N@@H+]2C2CCOCC2)c1 ZINC000930605513 664774270 /nfs/dbraw/zinc/77/42/70/664774270.db2.gz QUIIVUGXSYTQDR-OAHLLOKOSA-N 1 0 398.301 2.833 20 0 GFADRO COC(=O)[C@@H]1CN(Cc2nncs2)C[C@H]1c1ccc(Br)cc1 ZINC000930762255 664777678 /nfs/dbraw/zinc/77/76/78/664777678.db2.gz VWPZQDLOHWPEPL-QWHCGFSZSA-N 1 0 382.283 2.689 20 0 GFADRO COC(=O)[C@@H]1C[N@H+](CCc2nnc(C)o2)C[C@H]1c1ccc(Br)cc1 ZINC000930761827 664777703 /nfs/dbraw/zinc/77/77/03/664777703.db2.gz SRJAAZISSRGUAI-LSDHHAIUSA-N 1 0 394.269 2.572 20 0 GFADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)Nc3cc(Cl)c(N)c(Cl)c3)CC2)C1 ZINC000931019761 664783229 /nfs/dbraw/zinc/78/32/29/664783229.db2.gz ZJAIQSALTFQVBV-ZDUSSCGKSA-N 1 0 386.327 2.819 20 0 GFADRO O=C(NCC[NH+]1CCC(O)CC1)Nc1cc2c(cc1Br)CCC2 ZINC000931093094 664785684 /nfs/dbraw/zinc/78/56/84/664785684.db2.gz IKRSGOKHZRVEMU-UHFFFAOYSA-N 1 0 382.302 2.516 20 0 GFADRO O=C(Nc1ccc(-c2nncs2)cc1)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000931240834 664789125 /nfs/dbraw/zinc/78/91/25/664789125.db2.gz LRLITFHAKGNZCD-HUUCEWRRSA-N 1 0 375.523 2.906 20 0 GFADRO C[C@@H]1C[C@H](c2ccc(Br)cc2)C[N@@H+]1C[C@@H](O)C[C@@]1(O)CCOC1 ZINC000931268016 664790035 /nfs/dbraw/zinc/79/00/35/664790035.db2.gz YGCYRFLLSIRZSN-KCMWZYNZSA-N 1 0 384.314 2.529 20 0 GFADRO COc1cc(CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)cc(Br)c1OC ZINC000931318451 664791443 /nfs/dbraw/zinc/79/14/43/664791443.db2.gz TZCRUAAPPJVHJG-CQSZACIVSA-N 1 0 385.302 2.955 20 0 GFADRO Cc1ccc(NC(=O)[C@@H](C)N2C[C@@H]3CC[N@H+](C)C[C@@H]3C2)c(Br)c1 ZINC000931433246 664794911 /nfs/dbraw/zinc/79/49/11/664794911.db2.gz UTMGQUKKJBJTMP-QLFBSQMISA-N 1 0 380.330 2.968 20 0 GFADRO C[NH+](C)CC1(O)CCN(CC(=O)Nc2c(Cl)cc(Cl)cc2Cl)CC1 ZINC000931484229 664796174 /nfs/dbraw/zinc/79/61/74/664796174.db2.gz QQFKDKKBUGXVBY-UHFFFAOYSA-N 1 0 394.730 2.974 20 0 GFADRO COC(=O)[C@H](c1ccc(Cl)cc1Cl)N1CCC(O)(C[NH+](C)C)CC1 ZINC000931481028 664796192 /nfs/dbraw/zinc/79/61/92/664796192.db2.gz HVYZVWRHEHTHEY-HNNXBMFYSA-N 1 0 375.296 2.596 20 0 GFADRO Nc1cc[nH+]c2c1CN(CC(=O)Nc1c(F)cc(F)cc1Br)CC2 ZINC000931513971 664797126 /nfs/dbraw/zinc/79/71/26/664797126.db2.gz IQPLFGZZPHKWKA-UHFFFAOYSA-N 1 0 397.223 2.701 20 0 GFADRO CCO[C@@H](CNC(=O)Nc1c(C)ccc(F)c1Br)C[NH+](C)C ZINC000931581576 664799733 /nfs/dbraw/zinc/79/97/33/664799733.db2.gz OJEWVCCQYZTFJE-NSHDSACASA-N 1 0 376.270 2.985 20 0 GFADRO CCOC(=O)c1nc(NC(=O)N[C@H]2CCC[N@H+](C)C2)sc1C(F)(F)F ZINC000931591500 664800113 /nfs/dbraw/zinc/80/01/13/664800113.db2.gz ZVKPAGPABHRYPM-QMMMGPOBSA-N 1 0 380.392 2.554 20 0 GFADRO CCOC(=O)c1nc(NC(=O)NCC2([NH+](C)C)CC2)sc1C(F)(F)F ZINC000931595532 664800342 /nfs/dbraw/zinc/80/03/42/664800342.db2.gz HYJIXPXOCJCMLI-UHFFFAOYSA-N 1 0 380.392 2.554 20 0 GFADRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)Nc3cscc3Br)CC2)C1 ZINC000931626339 664800954 /nfs/dbraw/zinc/80/09/54/664800954.db2.gz BJJDVDDZRHBCDA-GFCCVEGCSA-N 1 0 387.347 2.754 20 0 GFADRO O=C(c1cnnn1-c1cccc(Cl)c1Cl)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000931654223 664801856 /nfs/dbraw/zinc/80/18/56/664801856.db2.gz ZHXPGIWIDFWKBZ-LBPRGKRZSA-N 1 0 380.279 2.884 20 0 GFADRO O=C(NCC[NH+]1CCC(O)CC1)Nc1cc(Cl)cc(Br)c1 ZINC000931706741 664803316 /nfs/dbraw/zinc/80/33/16/664803316.db2.gz JXHDXBPKAIIZMW-UHFFFAOYSA-N 1 0 376.682 2.681 20 0 GFADRO CS(C)(=O)=Nc1cccc(NC(=O)N[C@H]2CCC[N@@H+]3CCSC[C@@H]23)c1 ZINC000931716320 664803356 /nfs/dbraw/zinc/80/33/56/664803356.db2.gz JGUUJKSKHCPEAL-HOTGVXAUSA-N 1 0 382.555 2.747 20 0 GFADRO Cn1nc(C(F)(F)F)c(NC(=O)N[C@H]2CCC[N@@H+]3CCSC[C@H]23)c1Cl ZINC000932089548 664809895 /nfs/dbraw/zinc/80/98/95/664809895.db2.gz SSVFRUULDUWKMV-DTWKUNHWSA-N 1 0 397.854 2.794 20 0 GFADRO CN(C(=O)c1cc2cc(Br)cnc2n1C)[C@H]1C[NH+]2CCC1CC2 ZINC000932539818 664824866 /nfs/dbraw/zinc/82/48/66/664824866.db2.gz QNPZPPGBLAZRDH-HNNXBMFYSA-N 1 0 377.286 2.502 20 0 GFADRO CCN(CCC[N@@H+]1CC[C@H](c2ncc(C(=O)OC)s2)C1)CC(F)(F)F ZINC000932668196 664831132 /nfs/dbraw/zinc/83/11/32/664831132.db2.gz RJACPTCMXSXENB-LBPRGKRZSA-N 1 0 379.448 2.993 20 0 GFADRO COC(=O)c1cnc([C@H]2CC[N@H+](C[C@H](O)Cc3cccc(Cl)c3)C2)s1 ZINC000932674052 664831594 /nfs/dbraw/zinc/83/15/94/664831594.db2.gz VREUKFHFJRXPHQ-DZGCQCFKSA-N 1 0 380.897 2.976 20 0 GFADRO O=C1N[C@@H](C2CC[NH+](C[C@@H](O)COc3ccc(Cl)c(Cl)c3)CC2)CO1 ZINC000932784454 664838313 /nfs/dbraw/zinc/83/83/13/664838313.db2.gz KNHAQJICFFTJAU-MLGOLLRUSA-N 1 0 389.279 2.554 20 0 GFADRO O=C1N[C@H](C2CC[NH+](C[C@H](O)COc3c(Cl)cccc3Cl)CC2)CO1 ZINC000932784392 664838356 /nfs/dbraw/zinc/83/83/56/664838356.db2.gz JNQUNRXZCRMONT-WFASDCNBSA-N 1 0 389.279 2.554 20 0 GFADRO O=C1O[C@H](C[N@H+]2CCC[C@](O)(c3ccc(Br)cc3)C2)CC12CC2 ZINC000932814162 664839704 /nfs/dbraw/zinc/83/97/04/664839704.db2.gz CJBPBGVQVTUUPU-MAUKXSAKSA-N 1 0 380.282 2.828 20 0 GFADRO O=C1CCCN1CCC[N@H+]1CCC[C@](O)(c2ccc(Br)cc2)C1 ZINC000932812191 664839730 /nfs/dbraw/zinc/83/97/30/664839730.db2.gz TWXAYIBVQZYEGM-GOSISDBHSA-N 1 0 381.314 2.745 20 0 GFADRO Cn1ccc(C[N@@H+]2CCC[C@](O)(c3ccc(Br)cc3)C2)cc1=O ZINC000932812527 664839808 /nfs/dbraw/zinc/83/98/08/664839808.db2.gz ZLSPOZDAJVEHLO-GOSISDBHSA-N 1 0 377.282 2.631 20 0 GFADRO O[C@@H](C[N@@H+]1CCC[C@@](O)(c2ccc(Br)cc2)C1)c1ccccn1 ZINC000932815144 664840007 /nfs/dbraw/zinc/84/00/07/664840007.db2.gz MOKXJJBCCQSZFY-ROUUACIJSA-N 1 0 377.282 2.861 20 0 GFADRO O=C1NC[C@H](O)CC12CC[NH+](Cc1oc3ccccc3c1Br)CC2 ZINC000932833245 664841382 /nfs/dbraw/zinc/84/13/82/664841382.db2.gz UGBSBRFJEFVFFT-GFCCVEGCSA-N 1 0 393.281 2.658 20 0 GFADRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C[C@H]1C(=O)Nc2c1cccc2Br ZINC000932908317 664842885 /nfs/dbraw/zinc/84/28/85/664842885.db2.gz REBBQSCORMMHRY-TZMCWYRMSA-N 1 0 394.313 2.675 20 0 GFADRO O[C@@H](COc1ccc(Cl)c(Cl)c1)C[NH+]1CCC2(CC1)C[C@@H](O)CCO2 ZINC000933067999 664849201 /nfs/dbraw/zinc/84/92/01/664849201.db2.gz YKRZJROXPAOVFW-UONOGXRCSA-N 1 0 390.307 2.739 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cnn3cccc(Br)c23)[C@H](C)C1 ZINC000933440086 664864493 /nfs/dbraw/zinc/86/44/93/664864493.db2.gz XTEYYPIPPVJHSI-IUODEOHRSA-N 1 0 379.302 2.899 20 0 GFADRO C[C@H](NC(=O)C[C@@H]1C(=O)Nc2ccc(Br)cc21)C(C)(C)C[NH+](C)C ZINC000933464341 664865841 /nfs/dbraw/zinc/86/58/41/664865841.db2.gz NCSPHOHFIYMSNP-FZMZJTMJSA-N 1 0 396.329 2.967 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)c2cnn(Cc3ccccc3)c2Br)CC[N@@H+]1C ZINC000933489311 664866724 /nfs/dbraw/zinc/86/67/24/664866724.db2.gz AHMVHOMZPKYUQI-UKRRQHHQSA-N 1 0 391.313 2.906 20 0 GFADRO NC(=O)[C@]12CCC[C@H]1C[N@H+](Cc1nc(-c3ccc(Br)s3)no1)C2 ZINC000933754150 664877202 /nfs/dbraw/zinc/87/72/02/664877202.db2.gz CAZVRDQNMQUENR-VFZGTOFNSA-N 1 0 397.298 2.648 20 0 GFADRO CC[N@H+](C)C[C@H]1CCN(C(=O)C[C@H]2C(=O)Nc3ccc(Br)cc32)C1 ZINC000933799176 664878328 /nfs/dbraw/zinc/87/83/28/664878328.db2.gz WPYDJYDWVAVBJX-IUODEOHRSA-N 1 0 394.313 2.675 20 0 GFADRO Cc1cc(C(=O)NC2CC[NH+](CCOC(C)C)CC2)cnc1Br ZINC000934041821 664888501 /nfs/dbraw/zinc/88/85/01/664888501.db2.gz NFNZLGLCPWRNAQ-UHFFFAOYSA-N 1 0 384.318 2.772 20 0 GFADRO CCN1CC[NH+](CCCCNC(=O)Nc2cncc(Br)c2C)CC1 ZINC000934246906 664893350 /nfs/dbraw/zinc/89/33/50/664893350.db2.gz HJIFKNWXQNTLDX-UHFFFAOYSA-N 1 0 398.349 2.692 20 0 GFADRO C[C@H](C(=O)Nc1cc(Cl)ccc1Cl)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000934260742 664895151 /nfs/dbraw/zinc/89/51/51/664895151.db2.gz NYUVVCSMOMFXJA-DQYPLSBCSA-N 1 0 386.323 2.851 20 0 GFADRO Cc1c(Br)cncc1NC(=O)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000934278188 664897473 /nfs/dbraw/zinc/89/74/73/664897473.db2.gz QMLMGHVWUMUCBI-ZDUSSCGKSA-N 1 0 383.290 2.527 20 0 GFADRO C[N@@H+]1CCC[C@@H]1CCN1CCn2c(c(Br)nc2C(F)(F)F)C1 ZINC000934325227 664899043 /nfs/dbraw/zinc/89/90/43/664899043.db2.gz NMEASVUQNAJTDH-SNVBAGLBSA-N 1 0 381.240 2.964 20 0 GFADRO C[N@@H+]1CCC[C@H]2CN(C(=O)Nc3c(Br)cnn3C3CC3)CC[C@@H]21 ZINC000934373879 664903487 /nfs/dbraw/zinc/90/34/87/664903487.db2.gz LZRKKWIBPCKFFC-FZMZJTMJSA-N 1 0 382.306 2.929 20 0 GFADRO O=C1Nc2ccc(Br)cc2CC[C@@H]1[NH2+][C@@H]1CCOC12CCOCC2 ZINC000934401940 664905633 /nfs/dbraw/zinc/90/56/33/664905633.db2.gz LQKKJTHEPTWMQD-JKSUJKDBSA-N 1 0 395.297 2.630 20 0 GFADRO C[C@@](O)(C[NH2+][C@H]1CCOC12CCOCC2)c1ccc(Br)cc1F ZINC000934404045 664905934 /nfs/dbraw/zinc/90/59/34/664905934.db2.gz XMDOTAQBVFCYSR-JKSUJKDBSA-N 1 0 388.277 2.723 20 0 GFADRO CN(C)[S@@](C)(=O)=NCC1CCN(Cc2cccc(Br)n2)CC1 ZINC000934746451 664917970 /nfs/dbraw/zinc/91/79/70/664917970.db2.gz CTWJABGGXMHDNV-QFIPXVFZSA-N 1 0 389.363 2.631 20 0 GFADRO OC[C@H]([NH2+]CCC[C@@H]1CCOC1)c1ccccc1I ZINC000934826867 664924654 /nfs/dbraw/zinc/92/46/54/664924654.db2.gz PBVMVAPZPMILNJ-DOMZBBRYSA-N 1 0 375.250 2.731 20 0 GFADRO CC1(C)C[C@@H]([NH2+][C@H](CO)c2ccccc2I)CCO1 ZINC000934826783 664924694 /nfs/dbraw/zinc/92/46/94/664924694.db2.gz NOKKXHOKTYIFEQ-SMDDNHRTSA-N 1 0 375.250 2.872 20 0 GFADRO Cc1noc(C)c1CC[NH2+][C@H](CO)c1ccccc1I ZINC000934827427 664925016 /nfs/dbraw/zinc/92/50/16/664925016.db2.gz WBJQCHQKVAZAEY-OAHLLOKOSA-N 1 0 386.233 2.762 20 0 GFADRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3cc(Br)c4nccnc4c3)CC[C@@H]21 ZINC000934889852 664928414 /nfs/dbraw/zinc/92/84/14/664928414.db2.gz KJRQSYCUOMTBBA-LRDDRELGSA-N 1 0 389.297 2.949 20 0 GFADRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2cc(Br)c3nccnc3c2)C1 ZINC000934949041 664931378 /nfs/dbraw/zinc/93/13/78/664931378.db2.gz BHKKNSYRHSLXIH-WBMJQRKESA-N 1 0 389.297 2.949 20 0 GFADRO CC(C)c1ncc(Br)c(C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)n1 ZINC000934952132 664931590 /nfs/dbraw/zinc/93/15/90/664931590.db2.gz QTNZCEDSUIYLBZ-OCCSQVGLSA-N 1 0 381.318 2.919 20 0 GFADRO C[C@@H](C(=O)NCC1=CC[N@H+](C)CC1)c1ccc(I)cc1 ZINC000935249727 664948633 /nfs/dbraw/zinc/94/86/33/664948633.db2.gz GJQDYLKSMHDMKG-GFCCVEGCSA-N 1 0 384.261 2.773 20 0 GFADRO Cc1cc(C(=O)NCC2=CC[N@H+](C)CC2)nn1-c1ccccc1Br ZINC000935252255 664948715 /nfs/dbraw/zinc/94/87/15/664948715.db2.gz RLCLZLJPNGTKRR-UHFFFAOYSA-N 1 0 389.297 2.935 20 0 GFADRO Cn1c(C(=O)NCC2(C)CC[NH+](C)CC2)cc2cc(Br)cnc21 ZINC000935296184 664951700 /nfs/dbraw/zinc/95/17/00/664951700.db2.gz UNBBVYJUSCKUJN-UHFFFAOYSA-N 1 0 379.302 2.798 20 0 GFADRO Cc1cc(Br)c2c(c1)CN(C(=O)COC1CC[NH+](C)CC1)CC2 ZINC000935484354 664964591 /nfs/dbraw/zinc/96/45/91/664964591.db2.gz OKVKTCNHXAJDPS-UHFFFAOYSA-N 1 0 381.314 2.753 20 0 GFADRO CN(C(=O)c1cc(=O)n(C)cc1Br)C(C)(C)C[NH+]1CCCCCC1 ZINC000935489163 664965050 /nfs/dbraw/zinc/96/50/50/664965050.db2.gz WITDZJWQLPBTLN-UHFFFAOYSA-N 1 0 398.345 2.874 20 0 GFADRO CN(C)Cc1ccc(NC(=O)COC2CC[NH+](C)CC2)cc1Br ZINC000935573720 664971129 /nfs/dbraw/zinc/97/11/29/664971129.db2.gz XPVMZRXPTAXART-UHFFFAOYSA-N 1 0 384.318 2.560 20 0 GFADRO C[NH+](C)[C@H]1CCCN(C(=O)C[C@H]2C(=O)Nc3ccc(Br)cc32)CC1 ZINC000935652358 664978216 /nfs/dbraw/zinc/97/82/16/664978216.db2.gz NXEBCBYLMNNDHX-DZGCQCFKSA-N 1 0 394.313 2.818 20 0 GFADRO C[C@H]1C[C@@H](N2CCOCC2)CN1C(=O)c1cc(Br)cnc1C1CC1 ZINC000935930633 664999148 /nfs/dbraw/zinc/99/91/48/664999148.db2.gz AYQXLADWGTVBFW-SWLSCSKDSA-N 1 0 394.313 2.657 20 0 GFADRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1ccc2c(Br)cnn2c1 ZINC000935940655 665000218 /nfs/dbraw/zinc/00/02/18/665000218.db2.gz PHBRIUNSCUDKNH-JSGCOSHPSA-N 1 0 377.286 2.796 20 0 GFADRO C[C@@H]1CCN(c2ncnc3ccc(I)cc32)[C@@H](C[NH3+])C1 ZINC000957128267 665013207 /nfs/dbraw/zinc/01/32/07/665013207.db2.gz FLBGFLWQHYWPOB-ZYHUDNBSSA-N 1 0 382.249 2.798 20 0 GFADRO C[C@@H]1[C@H](C(=O)N2C[C@@H](CNC(=O)c3sccc3Cl)[C@H](C)C2)CC[N@@H+]1C ZINC000994122691 665022766 /nfs/dbraw/zinc/02/27/66/665022766.db2.gz PVYUGBKCBPHUPY-AAVRWANBSA-N 1 0 383.945 2.566 20 0 GFADRO C[NH+](C)[C@@H](C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1sccc1Cl)C2)C1CC1 ZINC001003327567 665059605 /nfs/dbraw/zinc/05/96/05/665059605.db2.gz UQVPJXPIMRZEQO-REBRKWNGSA-N 1 0 381.929 2.603 20 0 GFADRO O=C([C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)N1CC[C@H]([NH2+]Cc2cccc(Br)c2)C1 ZINC001019170750 665073098 /nfs/dbraw/zinc/07/30/98/665073098.db2.gz PPQGWXHRQLEYNV-RFSXOUPVSA-N 1 0 391.309 2.563 20 0 GFADRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2sccc2Br)C1)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001022452568 665073973 /nfs/dbraw/zinc/07/39/73/665073973.db2.gz OBPKUQDHLMWWHQ-VHNQTQRYSA-N 1 0 397.338 2.671 20 0 GFADRO O=C([C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)N1CCC[C@@H](C[NH2+]Cc2ncc(Cl)s2)C1 ZINC001024069396 665074271 /nfs/dbraw/zinc/07/42/71/665074271.db2.gz FZHKWZYBSQJPGC-OBUHKUQYSA-N 1 0 381.929 2.548 20 0 GFADRO Cc1cccc(C(=O)N2C[C@@H]3C[N@H+](C)CC[C@@H]3C2)c1I ZINC000380761722 677406008 /nfs/dbraw/zinc/40/60/08/677406008.db2.gz PNLCFZBKLXXEQZ-OLZOCXBDSA-N 1 0 384.261 2.623 20 0 GFADRO C[C@H](Cn1cc(Br)cn1)[NH2+]CCc1cc(F)cc2c1OCOC2 ZINC000120704555 677397613 /nfs/dbraw/zinc/39/76/13/677397613.db2.gz YLBDASUSBPMGCX-LLVKDONJSA-N 1 0 384.249 2.872 20 0 GFADRO C[C@H](O)[C@@H]1CCC[N@H+](CC(=O)N(C)Cc2cc(Br)cs2)C1 ZINC000120726578 677397623 /nfs/dbraw/zinc/39/76/23/677397623.db2.gz QUPOZPYCGLTNRE-NWDGAFQWSA-N 1 0 375.332 2.562 20 0 GFADRO O=S(=O)(NCC1CC[NH+](Cc2ccccc2)CC1)c1cccnc1Cl ZINC000397502082 677411746 /nfs/dbraw/zinc/41/17/46/677411746.db2.gz ZVJJJBPTHMPXNJ-UHFFFAOYSA-N 1 0 379.913 2.926 20 0 GFADRO CCCCOCCN(C(=O)C[C@@H]1COCC[NH2+]1)c1cccc(Br)c1 ZINC000579825948 677673600 /nfs/dbraw/zinc/67/36/00/677673600.db2.gz SDSOFFAERNWAHZ-MRXNPFEDSA-N 1 0 399.329 2.977 20 0 GFADRO CSC1(CNC(=O)NCCOCc2ccc(Cl)cc2)CC[NH+](C)CC1 ZINC000580256005 677673997 /nfs/dbraw/zinc/67/39/97/677673997.db2.gz OZCRRWYBRHLXAL-UHFFFAOYSA-N 1 0 385.961 2.983 20 0 GFADRO Cc1cc(F)c(NC(=O)N2CCC[C@@H](C[NH3+])C2)c(I)c1 ZINC000580290390 677674120 /nfs/dbraw/zinc/67/41/20/677674120.db2.gz VSFDEHZGHFALMG-JTQLQIEISA-N 1 0 391.228 2.941 20 0 GFADRO FC(F)(c1cc(Cl)nc(-c2ccccn2)n1)N1CCO[C@H]2C[NH2+]CC[C@H]2C1 ZINC001164409498 718864829 /nfs/dbraw/zinc/86/48/29/718864829.db2.gz QUQAWHZGNWLXFV-JSGCOSHPSA-N 1 0 395.841 2.552 20 0 GFADRO FC(F)(c1nc(Cl)nc2[nH]cnc21)N1C[C@@H]2[NH2+]Cc3ccccc3[C@H]2C1 ZINC001164424553 718945527 /nfs/dbraw/zinc/94/55/27/718945527.db2.gz PFPCJWCYHYFZGO-NEPJUHHUSA-N 1 0 376.798 2.578 20 0 GFADRO [NH3+][C@@H]1[C@H]2CN(c3nc(CN4CCCCC4)nc4sc5c(c43)CCCC5)C[C@H]21 ZINC001164440719 718986329 /nfs/dbraw/zinc/98/63/29/718986329.db2.gz RGQQHFHVOCBMES-QWHZDKJVSA-N 1 0 383.565 2.949 20 0 GFADRO CCOC(=O)C1CC[NH+](C2CCN(c3cc4c(nn3)CC[C@@H](C)C4)CC2)CC1 ZINC001164616501 719033724 /nfs/dbraw/zinc/03/37/24/719033724.db2.gz DTJSTSYIFKHWFX-MRXNPFEDSA-N 1 0 386.540 2.845 20 0 GFADRO CCOC(=O)Cc1ccc(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)nn1 ZINC001164629001 719089416 /nfs/dbraw/zinc/08/94/16/719089416.db2.gz PSPAWFHHRSAGBT-AZUAARDMSA-N 1 0 380.492 2.683 20 0 GFADRO CC1(C)C(=O)Nc2ncnc(N3CCC[C@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)c21 ZINC001164627360 719094327 /nfs/dbraw/zinc/09/43/27/719094327.db2.gz JYDOYEOVBAOINL-IRXDYDNUSA-N 1 0 377.492 2.807 20 0 GFADRO COc1ccc(-c2csc3ncnc(N4C[C@H]5OCC[N@H+](C)[C@H]5C4)c23)cc1 ZINC000329910457 719435337 /nfs/dbraw/zinc/43/53/37/719435337.db2.gz NHKPXQJOKHYXBS-DLBZAZTESA-N 1 0 382.489 2.886 20 0 GFADRO CCN(CC)Cc1nc2sc(C)c(C)c2c(N2C[C@@H]3OCC[N@H+](C)[C@H]3C2)n1 ZINC001164673189 719443799 /nfs/dbraw/zinc/44/37/99/719443799.db2.gz STRVFGMHRVVJBD-HOTGVXAUSA-N 1 0 389.569 2.669 20 0 GFADRO COc1cccc(-c2nc3ccccc3c(N3C[C@H]4OCC[N@H+](C)[C@@H]4C3)n2)c1 ZINC001164666287 719460781 /nfs/dbraw/zinc/46/07/81/719460781.db2.gz CTGSJTAFDQXWMR-WOJBJXKFSA-N 1 0 376.460 2.825 20 0 GFADRO CSc1cc(-n2nc(CN(C)C(C)C)c3c2C[NH2+]CC3)nc(SC)n1 ZINC001164680287 719652163 /nfs/dbraw/zinc/65/21/63/719652163.db2.gz DYJRTLPCPOXBGD-UHFFFAOYSA-N 1 0 378.571 2.592 20 0 GFADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1nc(Cl)ncc1-c1ccccc1)CC2 ZINC001164686591 719721072 /nfs/dbraw/zinc/72/10/72/719721072.db2.gz QBBRXCVYZJQBIS-UHFFFAOYSA-N 1 0 399.926 2.978 20 0 GFADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1ccc(-c3cccc(C)c3)nn1)CC2 ZINC001164690087 719741326 /nfs/dbraw/zinc/74/13/26/719741326.db2.gz SFYHTLTXBJMTLS-UHFFFAOYSA-N 1 0 379.508 2.633 20 0 GFADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1cc(C)nc(-c3cccs3)n1)CC2 ZINC001164690122 719745755 /nfs/dbraw/zinc/74/57/55/719745755.db2.gz TUVAMJHOUHJMCQ-UHFFFAOYSA-N 1 0 385.537 2.694 20 0 GFADRO CCN(C)c1ccnc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)n1 ZINC001164698322 719885861 /nfs/dbraw/zinc/88/58/61/719885861.db2.gz FHCYHKZVUSODSF-UHFFFAOYSA-N 1 0 387.553 2.866 20 0 GFADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3COC[C@@]3(c3nc(C)no3)C2)nc1 ZINC001164799658 720062278 /nfs/dbraw/zinc/06/22/78/720062278.db2.gz BGZHRHLGMTXBDN-OPYAIIAOSA-N 1 0 383.496 2.724 20 0 GFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1ccnc(Cl)n1)C2 ZINC001164811394 720064982 /nfs/dbraw/zinc/06/49/82/720064982.db2.gz OFSHTHSPHWZTMH-RHSMWYFYSA-N 1 0 386.874 2.860 20 0 GFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cc(C(=O)OC)c(Cl)cn1)C2 ZINC001164809207 720077374 /nfs/dbraw/zinc/07/73/74/720077374.db2.gz IYFIWZKQWCUCQO-QRWLVFNGSA-N 1 0 393.915 2.706 20 0 GFADRO CCOC(=O)c1cnc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COC)c(C)c1 ZINC001164814843 720094857 /nfs/dbraw/zinc/09/48/57/720094857.db2.gz XGJRAJHISOMOFX-SIKLNZKXSA-N 1 0 387.524 2.751 20 0 GFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1c(C)nc(Cl)nc1OC)C2 ZINC001164807386 720116800 /nfs/dbraw/zinc/11/68/00/720116800.db2.gz CDJXTYBLPAJITI-KXBFYZLASA-N 1 0 380.920 2.632 20 0 GFADRO CCOc1c(Cl)ncnc1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COC ZINC001164816193 720124565 /nfs/dbraw/zinc/12/45/65/720124565.db2.gz YIAFZRKDYFZLDU-BEFAXECRSA-N 1 0 380.920 2.713 20 0 GFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ncnc3cc(Cl)cnc31)C2 ZINC001164816512 720129448 /nfs/dbraw/zinc/12/94/48/720129448.db2.gz ZSVPTDZHLGTXIL-YWZLYKJASA-N 1 0 387.915 2.863 20 0 GFADRO Cc1nc(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2cc(C[NH+](C)C)ccn2)cs1 ZINC001164817450 720259000 /nfs/dbraw/zinc/25/90/00/720259000.db2.gz RILZWHZMGVTGEQ-MSOLQXFVSA-N 1 0 385.537 2.678 20 0 GFADRO Cc1nc(C(C)C)cc(N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164819599 720293859 /nfs/dbraw/zinc/29/38/59/720293859.db2.gz DQTXVGXLUJHAPS-WOJBJXKFSA-N 1 0 385.556 2.820 20 0 GFADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2ncnc3cc(F)ccc32)CC1 ZINC001164819584 720299495 /nfs/dbraw/zinc/29/94/95/720299495.db2.gz DNGBVOBQKQIHIZ-PMACEKPBSA-N 1 0 397.498 2.680 20 0 GFADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2nccc(C(C)(C)C)n2)CC1 ZINC001164821400 720313029 /nfs/dbraw/zinc/31/30/29/720313029.db2.gz KNXIYTLRLATSKS-ROUUACIJSA-N 1 0 385.556 2.686 20 0 GFADRO Cc1nc(Cl)c(N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc1C ZINC001164834368 720319633 /nfs/dbraw/zinc/31/96/33/720319633.db2.gz ZRFPVLGWIPIIST-IRXDYDNUSA-N 1 0 391.947 2.658 20 0 GFADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2ncnc3cccc(F)c32)CC1 ZINC001164825391 720322101 /nfs/dbraw/zinc/32/21/01/720322101.db2.gz DLTBGTZZODRAIE-RBUKOAKNSA-N 1 0 397.498 2.680 20 0 GFADRO Cc1nnc(N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c2ccccc12 ZINC001164821723 720336630 /nfs/dbraw/zinc/33/66/30/720336630.db2.gz BOERERHGTQRADH-SFTDATJTSA-N 1 0 393.535 2.850 20 0 GFADRO COC(=O)c1ccc2c(c1)ncnc2N1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164723501 720345384 /nfs/dbraw/zinc/34/53/84/720345384.db2.gz HPXSBXQBDGKWLS-UXHICEINSA-N 1 0 389.459 2.665 20 0 GFADRO Fc1ncccc1-c1ccnc(N2CC[C@@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)n1 ZINC001164732495 720412597 /nfs/dbraw/zinc/41/25/97/720412597.db2.gz NTQKPBGYMFDUHL-RTBURBONSA-N 1 0 376.439 2.926 20 0 GFADRO CCN(C)c1ccnc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)n1 ZINC001164833254 720506081 /nfs/dbraw/zinc/50/60/81/720506081.db2.gz CGOIUGJEFGKELR-IPMKNSEASA-N 1 0 383.544 2.507 20 0 GFADRO CC(C)[N@H+]1[C@@H]2CCN(c3nc(Cl)ncc3F)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164832893 720508689 /nfs/dbraw/zinc/50/86/89/720508689.db2.gz BTSHSAPMNWTOGU-IJEWVQPXSA-N 1 0 378.883 2.843 20 0 GFADRO C[NH+](C)C[C@H]1Cn2ccnc2CN(c2cc(C(=O)Nc3ccccc3)ccn2)C1 ZINC001164726159 720515708 /nfs/dbraw/zinc/51/57/08/720515708.db2.gz BAINJKOAVKQAIL-KRWDZBQOSA-N 1 0 390.491 2.728 20 0 GFADRO COc1cc2cnc(N3Cc4nccn4C[C@H](C[NH+](C)C)C3)cc2cc1OC ZINC001164735180 720526961 /nfs/dbraw/zinc/52/69/61/720526961.db2.gz VTGCEKAZARKQCA-HNNXBMFYSA-N 1 0 381.480 2.647 20 0 GFADRO CC(C)[N@H+]1[C@@H]2CCN(c3ncc(OC(F)F)cn3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164842138 720563260 /nfs/dbraw/zinc/56/32/60/720563260.db2.gz WVZYERCYJPAENP-HLLBOEOZSA-N 1 0 392.454 2.652 20 0 GFADRO FC(F)(c1nccnc1Cl)N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001164736964 720575506 /nfs/dbraw/zinc/57/55/06/720575506.db2.gz WTAOUMIHGDFRJJ-UHFFFAOYSA-N 1 0 382.846 2.530 20 0 GFADRO COc1ncc(Cl)c(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)n1 ZINC001164841091 720634192 /nfs/dbraw/zinc/63/41/92/720634192.db2.gz RARDWMOUHJQZNS-YQQAZPJKSA-N 1 0 390.919 2.713 20 0 GFADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3ncc(C(F)F)cn3)CC[C@@H]21 ZINC001164839596 720635337 /nfs/dbraw/zinc/63/53/37/720635337.db2.gz NXAZJBCDPMETGH-XIRDDKMYSA-N 1 0 376.455 2.989 20 0 GFADRO Cn1cnc2ncnc(N3CCC4(C[C@@H]([N@H+](C)Cc5ccccc5)CO4)CC3)c21 ZINC001164843205 720673144 /nfs/dbraw/zinc/67/31/44/720673144.db2.gz VGABCAAJODYAJP-GOSISDBHSA-N 1 0 392.507 2.623 20 0 GFADRO COC(=O)c1cncnc1N1CCC2(C[C@H]([N@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164840512 720693092 /nfs/dbraw/zinc/69/30/92/720693092.db2.gz FRRVGPLHCQYCHT-SFHVURJKSA-N 1 0 396.491 2.523 20 0 GFADRO CC[C@H](C)c1nc2[nH]ccc2c(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)n1 ZINC001164747474 720807632 /nfs/dbraw/zinc/80/76/32/720807632.db2.gz ODHDHSOMBFSWTI-XHSDSOJGSA-N 1 0 393.495 2.603 20 0 GFADRO COCC[N@@H+]1CCO[C@H]2CN(c3nc(SC)nc4sccc43)CC[C@H]2C1 ZINC001164857169 720837518 /nfs/dbraw/zinc/83/75/18/720837518.db2.gz XYIXTMOHIKSOQB-ZFWWWQNUSA-N 1 0 394.566 2.587 20 0 GFADRO c1ncn(C[C@H]2C[C@@H]3CN(c4nccc5ncsc54)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164745942 720841344 /nfs/dbraw/zinc/84/13/44/720841344.db2.gz OINMMVCRDKNGAF-JFIYKMOQSA-N 1 0 395.536 2.662 20 0 GFADRO COCC[N@@H+]1CCO[C@H]2CN(C(F)(F)c3cnc(Cl)cc3C)CC[C@@H]2C1 ZINC001164855409 720855950 /nfs/dbraw/zinc/85/59/50/720855950.db2.gz MADHTCXQYIVBEU-ZBFHGGJFSA-N 1 0 389.874 2.762 20 0 GFADRO COCC[N@@H+]1CCO[C@H]2CN(c3nc(Cl)nc4cc(C)ccc43)CC[C@H]2C1 ZINC001164851569 720856795 /nfs/dbraw/zinc/85/67/95/720856795.db2.gz AZFMEOSRTIMYHF-YJBOKZPZSA-N 1 0 390.915 2.765 20 0 GFADRO COCC[N@@H+]1CCO[C@@H]2CN(c3ccc(-c4cccc(C)c4)nn3)CC[C@H]2C1 ZINC001164864508 720876702 /nfs/dbraw/zinc/87/67/02/720876702.db2.gz VYWNSYADBSVTRY-PZJWPPBQSA-N 1 0 382.508 2.626 20 0 GFADRO COCC[N@@H+]1CCO[C@H]2CN(c3nnc(Cl)c4ccc(F)cc43)CC[C@H]2C1 ZINC001164865252 720883862 /nfs/dbraw/zinc/88/38/62/720883862.db2.gz ZDWAMEKQHVYLCZ-GUYCJALGSA-N 1 0 394.878 2.596 20 0 GFADRO Fc1ccc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nn1 ZINC001164757136 720892648 /nfs/dbraw/zinc/89/26/48/720892648.db2.gz SWMGUFHKUSUFPM-KNQAVFIVSA-N 1 0 397.498 2.766 20 0 GFADRO c1ncn2c1CN(c1ncccc1C[NH+]1CCCC1)C[C@H](COCC1CC1)C2 ZINC001164756459 720981922 /nfs/dbraw/zinc/98/19/22/720981922.db2.gz IMYAGXOYUYRBAA-IBGZPJMESA-N 1 0 381.524 2.937 20 0 GFADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1ncnc3c1ncn3C1CC1)[C@@H]2C ZINC001164858070 721005525 /nfs/dbraw/zinc/00/55/25/721005525.db2.gz GRCLVPKOIZBBSI-CQSZACIVSA-N 1 0 380.500 2.779 20 0 GFADRO Fc1ccc2ncnc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)c2c1 ZINC001164867841 721055598 /nfs/dbraw/zinc/05/55/98/721055598.db2.gz KWVWKMKKICHSCN-QZTJIDSGSA-N 1 0 379.439 2.644 20 0 GFADRO Cc1cc(Cl)nc(C(F)(F)N2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@H]3C2)n1 ZINC001164761627 721078430 /nfs/dbraw/zinc/07/84/30/721078430.db2.gz CFRPAOPLSWXARB-GJZGRUSLSA-N 1 0 396.873 2.675 20 0 GFADRO Cc1sc2ncnc(N3C[C@@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@H]4C3)c2c1C ZINC001164764349 721085694 /nfs/dbraw/zinc/08/56/94/721085694.db2.gz HGPIGWOUJCOZSR-IRXDYDNUSA-N 1 0 382.537 3.000 20 0 GFADRO COc1ccc2ncc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)nc2c1 ZINC001164866931 721090427 /nfs/dbraw/zinc/09/04/27/721090427.db2.gz VGSUJDDCLJJCHZ-IEBWSBKVSA-N 1 0 391.475 2.513 20 0 GFADRO Cc1nc2cc(F)ccc2c(N2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@H]3C2)n1 ZINC001164766650 721098762 /nfs/dbraw/zinc/09/87/62/721098762.db2.gz LBOMJDSUHWTONZ-IRXDYDNUSA-N 1 0 380.471 2.769 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN([C@@H](F)Oc4ccnc(Cl)c4)C[C@H]3C2)cn1 ZINC001164772694 721101936 /nfs/dbraw/zinc/10/19/36/721101936.db2.gz VTDLHDYHEVZYSF-IIDMSEBBSA-N 1 0 379.867 2.554 20 0 GFADRO Fc1ccc2nc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)ncc2c1 ZINC001164865346 721119116 /nfs/dbraw/zinc/11/91/16/721119116.db2.gz KICCWTUVHBMSKI-MOPGFXCFSA-N 1 0 379.439 2.644 20 0 GFADRO CSc1nc(Cl)ncc1N1C[C@H]2CC[N@H+](Cc3cnn(C)c3)C[C@@H]2C1 ZINC001164773583 721132170 /nfs/dbraw/zinc/13/21/70/721132170.db2.gz YKDHDLAXBCNWGZ-ZIAGYGMSSA-N 1 0 378.933 2.544 20 0 GFADRO Cc1cc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)nc(-c2ccco2)n1 ZINC001164881163 721161114 /nfs/dbraw/zinc/16/11/14/721161114.db2.gz ZLPOAOJTAQDBLH-MOPGFXCFSA-N 1 0 391.475 2.920 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4nc(C(C)(C)C)nc5[nH]ccc54)C[C@H]3C2)cn1 ZINC001164766782 721183783 /nfs/dbraw/zinc/18/37/83/721183783.db2.gz JGJCDRGABWPNCO-DLBZAZTESA-N 1 0 393.539 2.947 20 0 GFADRO Clc1nc2c(nc1N1CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C1)CCCC2 ZINC001164867164 721188139 /nfs/dbraw/zinc/18/81/39/721188139.db2.gz FBENEGMCILZBND-DLBZAZTESA-N 1 0 399.926 2.884 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4cc(-c5ccc(F)cc5)ncn4)C[C@@H]3C2)cn1 ZINC001164772379 721209335 /nfs/dbraw/zinc/20/93/35/721209335.db2.gz UGQFCALCCDMTFX-OALUTQOASA-N 1 0 392.482 2.975 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4ccc(-c5ccccc5F)nn4)C[C@@H]3C2)cn1 ZINC001164765146 721217547 /nfs/dbraw/zinc/21/75/47/721217547.db2.gz HZDBBPIXXSCQPU-MSOLQXFVSA-N 1 0 392.482 2.975 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4cncc(OCC5CCCC5)n4)C[C@H]3C2)cn1 ZINC001164760708 721238660 /nfs/dbraw/zinc/23/86/60/721238660.db2.gz GFCOOFOYFJZXQL-VQTJNVASSA-N 1 0 396.539 2.737 20 0 GFADRO CC(C)CNC(=O)c1ccc2c(c1)ncnc2N1CC2(C1)CC[N@H+](CC1CC1)C2 ZINC001164768084 721294236 /nfs/dbraw/zinc/29/42/36/721294236.db2.gz FERTTZWAAJZMAG-UHFFFAOYSA-N 1 0 393.535 2.938 20 0 GFADRO C[NH+](C)Cc1ccnc(N2CCC3(CCN(C(=O)c4cscn4)C3)CC2)c1 ZINC001164874767 721329124 /nfs/dbraw/zinc/32/91/24/721329124.db2.gz JAEVMOJHQPAWQU-UHFFFAOYSA-N 1 0 385.537 2.732 20 0 GFADRO COc1cc[nH+]c(N2CCC[C@]3(C2)COCCN(Cc2c(C)noc2C)C3)c1 ZINC001164777670 721334514 /nfs/dbraw/zinc/33/45/14/721334514.db2.gz PDBHPOXNUKDBGY-NRFANRHFSA-N 1 0 386.496 2.814 20 0 GFADRO Cc1cccc2c1ncnc2N1CC[C@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2 ZINC001164890957 721395224 /nfs/dbraw/zinc/39/52/24/721395224.db2.gz PPSZIVQFTGBSGM-XXBNENTESA-N 1 0 395.551 2.704 20 0 GFADRO COc1ccc(Cl)nc1N1CC[C@]2(C1)CCC[C@@H](C[NH+]1CCN(C)CC1)O2 ZINC001164888334 721417223 /nfs/dbraw/zinc/41/72/23/721417223.db2.gz OHTJVXWTUQMFBK-JXFKEZNVSA-N 1 0 394.947 2.509 20 0 GFADRO COc1nc(N2CC[C@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)ccc1Cl ZINC001164889523 721426853 /nfs/dbraw/zinc/42/68/53/721426853.db2.gz BGUQAOMAOXHYHM-JXFKEZNVSA-N 1 0 394.947 2.509 20 0 GFADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4ccc(C(C)(C)C)nn4)C3)O2)CC1 ZINC001164897024 721435322 /nfs/dbraw/zinc/43/53/22/721435322.db2.gz SITGNGCONLLBAC-AVRDEDQJSA-N 1 0 387.572 2.540 20 0 GFADRO CN1Cc2ccccc2CC2(CCN(c3cc(C[NH+](C)C)ccn3)CC2)C1=O ZINC001164893342 721474026 /nfs/dbraw/zinc/47/40/26/721474026.db2.gz HQVKJWVSDFDBOC-UHFFFAOYSA-N 1 0 378.520 2.945 20 0 GFADRO CN(C)c1nc(Cl)cc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)n1 ZINC001164897776 721509292 /nfs/dbraw/zinc/50/92/92/721509292.db2.gz GNHQDIXIISPSBI-HOCLYGCPSA-N 1 0 391.878 2.677 20 0 GFADRO Cc1c(Cl)cnc(Cl)c1N1CCn2cc(CN3CC[NH+](C)CC3)nc2C1 ZINC001164796801 721517133 /nfs/dbraw/zinc/51/71/33/721517133.db2.gz CPPSTHHSSOMVGI-UHFFFAOYSA-N 1 0 395.338 2.661 20 0 GFADRO CCOC(=O)c1cccc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)n1 ZINC001164912453 721526988 /nfs/dbraw/zinc/52/69/88/721526988.db2.gz ZVLOPKYVSDEKKM-SJLPKXTDSA-N 1 0 385.439 2.739 20 0 GFADRO C=C(OCC)c1ccc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)nn1 ZINC001164902991 721534170 /nfs/dbraw/zinc/53/41/70/721534170.db2.gz BQGOTYDLTBXMIW-HKUYNNGSSA-N 1 0 384.455 2.965 20 0 GFADRO CN(C)c1cc(Cl)nc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)n1 ZINC001164905868 721537342 /nfs/dbraw/zinc/53/73/42/721537342.db2.gz JKEXJGQZAOAPKA-ZBFHGGJFSA-N 1 0 391.878 2.677 20 0 GFADRO Cc1nc2ccc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@H]4OCCC[C@@H]43)nc2n1C ZINC001164802213 721554345 /nfs/dbraw/zinc/55/43/45/721554345.db2.gz HRJOMEUAXRYPDY-ZJOUEHCJSA-N 1 0 392.507 2.540 20 0 GFADRO Fc1cccc(O[C@H]2C[C@@H]3CN(c4nccnc4OC4CCC4)CC[N@@H+]3C2)c1 ZINC001164910369 721562955 /nfs/dbraw/zinc/56/29/55/721562955.db2.gz WNAFYVBHINGGGU-APWZRJJASA-N 1 0 384.455 2.889 20 0 GFADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2nccnc2Oc2ccccc2)CC1 ZINC001165012461 721748199 /nfs/dbraw/zinc/74/81/99/721748199.db2.gz INZSLDRGWLRTLU-UHFFFAOYSA-N 1 0 395.507 2.792 20 0 GFADRO CCOC(=O)c1ccc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)nn1 ZINC001165022243 721804625 /nfs/dbraw/zinc/80/46/25/721804625.db2.gz IJAXAUFJQVLTON-ILZDJORESA-N 1 0 395.507 2.785 20 0 GFADRO c1cncc(O[C@H]2CO[C@]3(CCN(c4ccc(C[NH+]5CCCC5)cn4)C3)C2)c1 ZINC001164917697 721806863 /nfs/dbraw/zinc/80/68/63/721806863.db2.gz XHQMJXFWDHXFAH-IFMALSPDSA-N 1 0 380.492 2.889 20 0 GFADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nccc4c3NC(=O)CO4)C[C@@H]21 ZINC001165024914 721813695 /nfs/dbraw/zinc/81/36/95/721813695.db2.gz LGSISWKMCGFVRW-BPQIPLTHSA-N 1 0 393.491 2.544 20 0 GFADRO C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2C(F)(F)c1c[nH]c2nc(Cl)ccc12 ZINC001164927381 721863583 /nfs/dbraw/zinc/86/35/83/721863583.db2.gz UQRGCIGKOBSVDG-CABCVRRESA-N 1 0 383.874 2.976 20 0 GFADRO C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2c1nc2ccccc2nc1N1CCCCC1 ZINC001164923121 721876944 /nfs/dbraw/zinc/87/69/44/721876944.db2.gz IGIISDBCKVCDMQ-RTWAWAEBSA-N 1 0 394.567 2.835 20 0 GFADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4ncc5ncn(C)c5n4)CC3)C2)cc1 ZINC001164940603 721925390 /nfs/dbraw/zinc/92/53/90/721925390.db2.gz UOZKYCVPTARESC-UHFFFAOYSA-N 1 0 392.507 2.543 20 0 GFADRO O=C1NCc2c1cc(Cl)nc2N1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001164955652 722019497 /nfs/dbraw/zinc/01/94/97/722019497.db2.gz LZGDGJLRJDQJHS-UHFFFAOYSA-N 1 0 397.910 2.866 20 0 GFADRO c1cc(C[N@@H+]2CCOCC3(CCN(c4ncnc5c4CCCC5)CC3)C2)ccn1 ZINC001164962294 722055372 /nfs/dbraw/zinc/05/53/72/722055372.db2.gz CTLYVRBZNDMPNP-UHFFFAOYSA-N 1 0 393.535 2.869 20 0 GFADRO O=C(c1cscn1)N1CC[C@@H]2[C@@H]1CCN2c1ccc(C[NH+]2CCCC2)cn1 ZINC001164966028 722065122 /nfs/dbraw/zinc/06/51/22/722065122.db2.gz NNWBPQIUXBAQDR-MSOLQXFVSA-N 1 0 383.521 2.627 20 0 GFADRO CCOC(=O)c1c(C)cc(Cl)nc1N1C[C@@H]2C[N@@H+](CC3CC3)C[C@H](C1)O2 ZINC001164967109 722070036 /nfs/dbraw/zinc/07/00/36/722070036.db2.gz ILUANMZOLUSZDF-GASCZTMLSA-N 1 0 379.888 2.520 20 0 GFADRO c1ccc2nc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)ncc2c1 ZINC001164980031 722099339 /nfs/dbraw/zinc/09/93/39/722099339.db2.gz IVSFXCUGPRHOGB-TZIWHRDSSA-N 1 0 375.476 2.752 20 0 GFADRO Clc1nc2[nH]ccc2c(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164983380 722099404 /nfs/dbraw/zinc/09/94/04/722099404.db2.gz PQXLREYFFMJEFR-NVXWUHKLSA-N 1 0 398.898 2.734 20 0 GFADRO c1ccc2nc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)cnc2c1 ZINC001164985784 722102391 /nfs/dbraw/zinc/10/23/91/722102391.db2.gz WPOCLGIIVOUQMI-RXVVDRJESA-N 1 0 375.476 2.752 20 0 GFADRO c1cncc(C[N@@H+]2CCO[C@@H]3CN(c4ccc5ncccc5n4)CC[C@@H]3C2)c1 ZINC001164972430 722112215 /nfs/dbraw/zinc/11/22/15/722112215.db2.gz FGCNISBSSPCILM-WIYYLYMNSA-N 1 0 375.476 2.752 20 0 GFADRO CC(C)(C)Oc1ccnc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164982485 722121038 /nfs/dbraw/zinc/12/10/38/722121038.db2.gz WRVOAKVLVHMNAY-RBUKOAKNSA-N 1 0 397.523 2.776 20 0 GFADRO c1c[nH]c(-c2ccnc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)c2)n1 ZINC001164982785 722132107 /nfs/dbraw/zinc/13/21/07/722132107.db2.gz SMWUGYXKPZVDDQ-VQTJNVASSA-N 1 0 390.491 2.594 20 0 GFADRO Fc1nc(F)c(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c(Cl)n1 ZINC001164975206 722137251 /nfs/dbraw/zinc/13/72/51/722137251.db2.gz FSPBWWPBFQOTMH-KBPBESRZSA-N 1 0 395.841 2.531 20 0 GFADRO c1cncc(C[N@@H+]2CCO[C@H]3CN(c4cc(C5CCC5)ncn4)CC[C@@H]3C2)c1 ZINC001164980911 722150523 /nfs/dbraw/zinc/15/05/23/722150523.db2.gz NTKUJVLSABBTFX-CTNGQTDRSA-N 1 0 379.508 2.866 20 0 GFADRO COCCOc1ccc(N2CCC[C@@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)nn1 ZINC001164995992 722208933 /nfs/dbraw/zinc/20/89/33/722208933.db2.gz RFEJDOSWSUSWKW-OAQYLSRUSA-N 1 0 386.471 2.886 20 0 GFADRO CCN(CC)c1ccnc([C@H]2COCCN2c2ccc(C[NH+]3CCCC3)cn2)n1 ZINC001165001306 722227037 /nfs/dbraw/zinc/22/70/37/722227037.db2.gz YWERVBXXBAABHU-LJQANCHMSA-N 1 0 396.539 2.892 20 0 GFADRO C[NH+](C)CCOCc1ncn2c1CN(C(F)(F)c1cccc(Cl)n1)CCC2 ZINC001165002096 722250611 /nfs/dbraw/zinc/25/06/11/722250611.db2.gz WBUPROBDCBDMBH-UHFFFAOYSA-N 1 0 399.873 2.965 20 0 GFADRO C[NH+](C)CCOCc1ncn2c1CN(c1nc(C3CC3)nc3[nH]ccc31)CCC2 ZINC001165003788 722257583 /nfs/dbraw/zinc/25/75/83/722257583.db2.gz HTAHXHNGKCOPAJ-UHFFFAOYSA-N 1 0 395.511 2.520 20 0 GFADRO Cc1cc(NC(=O)NC[C@@H]2C[NH2+]CCO2)nn1-c1ccc(Cl)cc1Cl ZINC000518340900 532439326 /nfs/dbraw/zinc/43/93/26/532439326.db2.gz VBEULSVTWJIKQB-LBPRGKRZSA-N 1 0 384.267 2.597 20 0 GFADRO O=C(Nc1ccn(-c2cc[nH+]cc2)n1)c1cn2ccc(Br)cc2n1 ZINC000512935351 532778658 /nfs/dbraw/zinc/77/86/58/532778658.db2.gz DPMONPFCMXRUKF-UHFFFAOYSA-N 1 0 383.209 2.930 20 0 GFADRO OC1(CN2CCOCC2)CC[NH+](CCCOc2ccc3ccccc3c2)CC1 ZINC000359997047 209211407 /nfs/dbraw/zinc/21/14/07/209211407.db2.gz IOHWNAZYEFLCPZ-UHFFFAOYSA-N 1 0 384.520 2.768 20 0 GFADRO CN(Cc1cnn(C)c1)C(=O)N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000359995579 209211135 /nfs/dbraw/zinc/21/11/35/209211135.db2.gz OUYBYHCWXVAIJU-NJDAHSKKSA-N 1 0 381.524 2.862 20 0 GFADRO CCOc1ccc(OCC(=O)NC2CC[NH+](CCc3ccncc3)CC2)cc1 ZINC000359958168 209207777 /nfs/dbraw/zinc/20/77/77/209207777.db2.gz QGKQGZSRAXYQPH-UHFFFAOYSA-N 1 0 383.492 2.682 20 0 GFADRO Cc1nnc([C@H](NC(=O)NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)c2ccccc2)n1C ZINC000359959577 209207074 /nfs/dbraw/zinc/20/70/74/209207074.db2.gz WZCOBXXTEFMDIZ-GPMSIDNRSA-N 1 0 384.528 2.633 20 0 GFADRO CCC[NH+]1CCC(N2CCN(C(=O)c3cnn(C(C)(C)C)c3CC)CC2)CC1 ZINC000359939441 209206341 /nfs/dbraw/zinc/20/63/41/209206341.db2.gz YVKILFGXTSILOM-UHFFFAOYSA-N 1 0 389.588 2.833 20 0 GFADRO CC(C)NS(=O)(=O)c1ccc(C(=O)NCC2([NH+](C)C)CCCCCC2)cc1 ZINC000024092170 210460300 /nfs/dbraw/zinc/46/03/00/210460300.db2.gz ZRCPGVRVOISMRQ-UHFFFAOYSA-N 1 0 395.569 2.758 20 0 GFADRO CCO[C@@H]1CN(C(=O)c2ccc(Br)c(C(F)(F)F)c2)C[C@H]1C[NH3+] ZINC000405280013 563538999 /nfs/dbraw/zinc/53/89/99/563538999.db2.gz AZXADEHGDDWIFY-ZWNOBZJWSA-N 1 0 395.219 2.904 20 0 GFADRO CCO[C@@H]1CN(S(=O)(=O)c2c(C)c(Cl)cc(C)c2Cl)C[C@H]1C[NH3+] ZINC000405570804 563539865 /nfs/dbraw/zinc/53/98/65/563539865.db2.gz HNFOICYVKRTIIQ-DGCLKSJQSA-N 1 0 381.325 2.595 20 0 GFADRO CCOc1ccc(S(=O)(=O)NC(C)(C)CCC[NH3+])cc1Br ZINC000431021559 563551392 /nfs/dbraw/zinc/55/13/92/563551392.db2.gz CVMXXAZRFIIVNF-UHFFFAOYSA-N 1 0 379.320 2.644 20 0 GFADRO CC1(C)CC(NC(=O)CNC(=O)c2cccc(Br)c2)CC(C)(C)[NH2+]1 ZINC000011422576 551106830 /nfs/dbraw/zinc/10/68/30/551106830.db2.gz JHAUYZAZTPZBEQ-UHFFFAOYSA-N 1 0 396.329 2.604 20 0 GFADRO C[C@@H]1C[NH+](C(C)(C)CNC(=O)Cc2ccc(Br)cc2)C[C@@H](C)O1 ZINC000021057142 551116108 /nfs/dbraw/zinc/11/61/08/551116108.db2.gz BSBHAYVWZRHDDL-ZIAGYGMSSA-N 1 0 383.330 2.996 20 0 GFADRO Cc1ccc(NC(=O)C(=O)NC[C@@H](CC(C)C)[NH+](C)C)c(Br)c1 ZINC000041321889 551135283 /nfs/dbraw/zinc/13/52/83/551135283.db2.gz GZQQNSQXYIDQQO-CYBMUJFWSA-N 1 0 384.318 2.789 20 0 GFADRO CCn1c(SCC(=O)NC[C@@H](C)[NH+](CC)CC)nnc1-c1cccs1 ZINC000041913418 551136645 /nfs/dbraw/zinc/13/66/45/551136645.db2.gz FSDVTOQIUDIGDK-CYBMUJFWSA-N 1 0 381.571 2.965 20 0 GFADRO CC[NH+]1CCC(NC(=O)CCNC(=O)Nc2ccc(Br)cc2)CC1 ZINC000045079263 551145611 /nfs/dbraw/zinc/14/56/11/551145611.db2.gz AGVHADCLDKRDLN-UHFFFAOYSA-N 1 0 397.317 2.561 20 0 GFADRO CCOc1cc(Br)c(CC(=O)NC[C@H](C)[NH+](C)C)cc1OCC ZINC000046273198 551150034 /nfs/dbraw/zinc/15/00/34/551150034.db2.gz YOWOLVUBKCHWEV-LBPRGKRZSA-N 1 0 387.318 2.855 20 0 GFADRO COc1cc(C[NH2+]CCc2ccc(Cl)s2)cc(OC)c1OCC(N)=O ZINC000047836439 551153577 /nfs/dbraw/zinc/15/35/77/551153577.db2.gz JUECDFSGJWQULT-UHFFFAOYSA-N 1 0 384.885 2.615 20 0 GFADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)NCc2csc(Br)c2)C1 ZINC000048093550 551156140 /nfs/dbraw/zinc/15/61/40/551156140.db2.gz SPHXVKUXEATUSK-ZDUSSCGKSA-N 1 0 390.347 2.667 20 0 GFADRO CC[N@@H+]1CCC[C@H](CNC(=O)c2ccc(F)cc2I)C1 ZINC000049520056 551159082 /nfs/dbraw/zinc/15/90/82/551159082.db2.gz BDYSVECRDNWWKG-LLVKDONJSA-N 1 0 390.240 2.892 20 0 GFADRO COc1c(Br)cc(C[NH2+][C@H]2CCCNC2=O)cc1Br ZINC000050395155 551160717 /nfs/dbraw/zinc/16/07/17/551160717.db2.gz GMHWUWAYGAZPBO-NSHDSACASA-N 1 0 392.091 2.588 20 0 GFADRO NC(=O)C1CC[NH+](CC(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)CC1 ZINC000051186157 551162596 /nfs/dbraw/zinc/16/25/96/551162596.db2.gz QTFHYGXXKISDJH-MRXNPFEDSA-N 1 0 384.307 2.854 20 0 GFADRO O=C(CCc1ccccc1Br)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000053569797 551166558 /nfs/dbraw/zinc/16/65/58/551166558.db2.gz VNPMAFXWZMFSKM-UHFFFAOYSA-N 1 0 395.341 2.953 20 0 GFADRO CC(C)Oc1cc(Br)ccc1C(=O)N1CCN(CC[NH+](C)C)CC1 ZINC000057031337 551180049 /nfs/dbraw/zinc/18/00/49/551180049.db2.gz BCXILXXLENMFEI-UHFFFAOYSA-N 1 0 398.345 2.556 20 0 GFADRO [NH3+]C1(CNS(=O)(=O)c2cc(C(F)(F)F)ccc2Br)CCC1 ZINC000440745336 563749781 /nfs/dbraw/zinc/74/97/81/563749781.db2.gz HRESCLMYCSGDRJ-UHFFFAOYSA-N 1 0 387.221 2.628 20 0 GFADRO Brc1ccccc1OCCN1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000093791135 551195809 /nfs/dbraw/zinc/19/58/09/551195809.db2.gz JVQGFPNWSWNEMD-INIZCTEOSA-N 1 0 383.330 2.872 20 0 GFADRO CC[N@@H+]1CCCC[C@@H]1C(=O)NCCCNC(=O)c1ccc(Br)cc1 ZINC000104376859 551198471 /nfs/dbraw/zinc/19/84/71/551198471.db2.gz RPPXKZBSJHCMAY-MRXNPFEDSA-N 1 0 396.329 2.560 20 0 GFADRO CN(CC1CC[NH+](C)CC1)C(=O)c1ccc(I)c(F)c1 ZINC000104415151 551198652 /nfs/dbraw/zinc/19/86/52/551198652.db2.gz AZGGEVZWVMVPEE-UHFFFAOYSA-N 1 0 390.240 2.844 20 0 GFADRO CN(CC1CC[NH+](C)CC1)C(=O)c1cc(=O)c2cc(Br)ccc2[nH]1 ZINC000112635532 551206696 /nfs/dbraw/zinc/20/66/96/551206696.db2.gz JYMMSFGECCXDMG-UHFFFAOYSA-N 1 0 392.297 2.704 20 0 GFADRO C[C@H](C(=O)Nc1cccc(Br)c1)[N@@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000116316161 551211586 /nfs/dbraw/zinc/21/15/86/551211586.db2.gz DTRTYJNBIXFRBS-OLZOCXBDSA-N 1 0 377.286 2.999 20 0 GFADRO O=C(c1cncc(I)c1)N1CCC[C@H]([NH+]2CCCCC2)C1 ZINC000119432633 551216339 /nfs/dbraw/zinc/21/63/39/551216339.db2.gz VUILBUBUGUUNFZ-HNNXBMFYSA-N 1 0 399.276 2.777 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1CCNC(=O)Cc1ccccc1I ZINC000120359724 551220162 /nfs/dbraw/zinc/22/01/62/551220162.db2.gz ADWSQRNHXBWIFV-CYBMUJFWSA-N 1 0 386.277 2.824 20 0 GFADRO Cc1cccc(NC(=O)C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)c1Br ZINC000121063092 551226184 /nfs/dbraw/zinc/22/61/84/551226184.db2.gz FBVZCIQGTBXNMW-AWEZNQCLSA-N 1 0 394.313 2.640 20 0 GFADRO Cc1ccc(C[NH2+]C2CCN(S(=O)(=O)C3CC3)CC2)cc1Br ZINC000121566132 551237193 /nfs/dbraw/zinc/23/71/93/551237193.db2.gz DYOLPTCFGPPOEW-UHFFFAOYSA-N 1 0 387.343 2.804 20 0 GFADRO CCC[C@@H]1CN(CC(=O)N(C)Cc2ccc(Cl)s2)CC[N@@H+]1CCOC ZINC000121632882 551238579 /nfs/dbraw/zinc/23/85/79/551238579.db2.gz SUMFFZVFGULVMY-OAHLLOKOSA-N 1 0 387.977 2.793 20 0 GFADRO C[C@@H](NC(=O)Nc1cc(F)c(Br)cc1F)[C@@H](C)N1CCOCC1 ZINC000121777610 551242420 /nfs/dbraw/zinc/24/24/20/551242420.db2.gz GVYXCMQECSNTEQ-NXEZZACHSA-N 1 0 392.244 2.958 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000122037330 551293675 /nfs/dbraw/zinc/29/36/75/551293675.db2.gz PAUVATGECPBVDK-BBRMVZONSA-N 1 0 394.313 2.639 20 0 GFADRO C[C@H]1CC[C@H](C)[NH+]1CCC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1Cl ZINC000123062471 551302655 /nfs/dbraw/zinc/30/26/55/551302655.db2.gz CZJMULDLNVYQFL-STQMWFEESA-N 1 0 387.933 2.792 20 0 GFADRO COCC[N@H+](C)CCCNC(=O)Nc1cccc(Br)c1COC ZINC000123601190 551307339 /nfs/dbraw/zinc/30/73/39/551307339.db2.gz UHGDFBWTKPWFJT-UHFFFAOYSA-N 1 0 388.306 2.685 20 0 GFADRO Cc1nc(C)c(C[NH2+]CC2CCN(S(=O)(=O)c3ccccc3)CC2)s1 ZINC000123644559 551307662 /nfs/dbraw/zinc/30/76/62/551307662.db2.gz KECNCAWBGMVTAS-UHFFFAOYSA-N 1 0 379.551 2.950 20 0 GFADRO C[NH+](C)CCOc1cc(CNC(=O)c2cc(F)c(Cl)nc2Cl)ccn1 ZINC000124368730 551314021 /nfs/dbraw/zinc/31/40/21/551314021.db2.gz QVPQPOQVWFYDNB-UHFFFAOYSA-N 1 0 387.242 2.793 20 0 GFADRO COc1cc(C(=O)N2CCN(c3cc[nH+]cc3)CC2)sc1Br ZINC000124408010 551314098 /nfs/dbraw/zinc/31/40/98/551314098.db2.gz GZNAEYQUEMBLSV-UHFFFAOYSA-N 1 0 382.283 2.877 20 0 GFADRO Cc1nn(-c2ccc(C(=O)N3CC[NH2+]C[C@H]3C)cc2)c(C)c1Br ZINC000124640451 551316066 /nfs/dbraw/zinc/31/60/66/551316066.db2.gz WVKYJXQFBSKGLZ-LLVKDONJSA-N 1 0 377.286 2.686 20 0 GFADRO O=C(c1cnccn1)N1CCC([NH2+]Cc2ccc(F)c(Br)c2)CC1 ZINC000124657699 551316305 /nfs/dbraw/zinc/31/63/05/551316305.db2.gz LAAYFVYJGVTLJO-UHFFFAOYSA-N 1 0 393.260 2.773 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(C(F)(F)F)cc1Cl ZINC000126297609 551327933 /nfs/dbraw/zinc/32/79/33/551327933.db2.gz HHCCMIMICGBXGU-LLVKDONJSA-N 1 0 377.794 2.898 20 0 GFADRO CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+]CC[S@](=O)C(C)(C)C)cc1 ZINC000127297304 551340110 /nfs/dbraw/zinc/34/01/10/551340110.db2.gz CSSGJUGLZHMJJF-OYLFLEFRSA-N 1 0 388.599 2.915 20 0 GFADRO O=C(NCCc1ccc(F)c(Br)c1)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000127713066 551343460 /nfs/dbraw/zinc/34/34/60/551343460.db2.gz GFJGKXJJDJVKPN-CYBMUJFWSA-N 1 0 384.293 2.914 20 0 GFADRO NC(=O)COc1cccc(C[NH2+][C@H]2CCOc3c(Br)cccc32)c1 ZINC000128765670 551352367 /nfs/dbraw/zinc/35/23/67/551352367.db2.gz OQYIDZIMDBYGQI-INIZCTEOSA-N 1 0 391.265 2.927 20 0 GFADRO O=C(NCCCC[N@H+]1CCC[C@@H]1CO)c1c[nH]c2cccc(Br)c12 ZINC000128871310 551353173 /nfs/dbraw/zinc/35/31/73/551353173.db2.gz FJWRYEPDIMAWKF-CYBMUJFWSA-N 1 0 394.313 2.897 20 0 GFADRO Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+]C1CCN(S(C)(=O)=O)CC1 ZINC000129736683 551359820 /nfs/dbraw/zinc/35/98/20/551359820.db2.gz PGZQFSOTPRNBEV-LBPRGKRZSA-N 1 0 380.539 2.588 20 0 GFADRO CN(C)c1ncc(Br)cc1C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000130084187 551362006 /nfs/dbraw/zinc/36/20/06/551362006.db2.gz UMYRYBOUOKEYCO-UHFFFAOYSA-N 1 0 383.334 2.760 20 0 GFADRO COCC[NH+]1CCC(N[C@H](C(=O)OC)c2cc(Cl)cc(Cl)c2)CC1 ZINC000130373204 551364221 /nfs/dbraw/zinc/36/42/21/551364221.db2.gz VTXYDJDDIKRIHH-INIZCTEOSA-N 1 0 375.296 2.908 20 0 GFADRO CCC(=O)N[C@@H]1CCC[N@H+](CCC(=O)Nc2ccccc2Br)C1 ZINC000130428241 551365027 /nfs/dbraw/zinc/36/50/27/551365027.db2.gz KBAIDKOWDDUHRH-CYBMUJFWSA-N 1 0 382.302 2.768 20 0 GFADRO CCn1nc(C)c(C[NH2+]C[C@@H](O)COc2ccccc2Br)c1C ZINC000131005170 551370716 /nfs/dbraw/zinc/37/07/16/551370716.db2.gz ANBLYVYASVQMMT-CQSZACIVSA-N 1 0 382.302 2.812 20 0 GFADRO C[C@@H](CNC(=O)CCCc1ccccc1Br)N1CC[NH+](C)CC1 ZINC000131307263 551374060 /nfs/dbraw/zinc/37/40/60/551374060.db2.gz HYANHSKSFQMJEZ-HNNXBMFYSA-N 1 0 382.346 2.524 20 0 GFADRO C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)C1 ZINC000132814336 551379276 /nfs/dbraw/zinc/37/92/76/551379276.db2.gz NHYPCGIPOSODRO-HOTGVXAUSA-N 1 0 384.307 2.808 20 0 GFADRO C[NH2+][C@@H]1CCCN(C(=O)c2cc(C)n(-c3ccc(Br)cc3)n2)C1 ZINC000134055844 551384645 /nfs/dbraw/zinc/38/46/45/551384645.db2.gz HJSRBHZKQFDKLP-CQSZACIVSA-N 1 0 377.286 2.767 20 0 GFADRO CC[C@@]1(C(=O)N2CCN(C(=O)c3cccc(Cl)c3Cl)CC2)CCC[NH2+]1 ZINC000134406313 551385115 /nfs/dbraw/zinc/38/51/15/551385115.db2.gz MPVPIVGGNFHBAH-SFHVURJKSA-N 1 0 384.307 2.810 20 0 GFADRO C[C@H](NC(=O)c1ccc(Br)cc1-n1cncn1)C(C)(C)C[NH+](C)C ZINC000135705027 551388998 /nfs/dbraw/zinc/38/89/98/551388998.db2.gz UDYRMICOKZRVAK-LBPRGKRZSA-N 1 0 394.317 2.736 20 0 GFADRO CN1CC[NH+](CCCCNC(=O)c2c[nH]c3cccc(Br)c23)CC1 ZINC000135842184 551389237 /nfs/dbraw/zinc/38/92/37/551389237.db2.gz WVRANOODOZBHIE-UHFFFAOYSA-N 1 0 393.329 2.688 20 0 GFADRO CCO[C@H](CC[NH+](C)C)CNS(=O)(=O)Cc1c(Cl)cccc1Cl ZINC000150878783 551403052 /nfs/dbraw/zinc/40/30/52/551403052.db2.gz ITJPXPPCWYMEEJ-GFCCVEGCSA-N 1 0 383.341 2.770 20 0 GFADRO C[NH+]1CCN([C@@H]2CCCCN(C(=O)c3c(F)cccc3Br)C2)CC1 ZINC000150982720 551404758 /nfs/dbraw/zinc/40/47/58/551404758.db2.gz JIVCPASLWFDLMC-CQSZACIVSA-N 1 0 398.320 2.830 20 0 GFADRO C[C@H]([NH2+]CCSCCCO)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000151237089 551409294 /nfs/dbraw/zinc/40/92/94/551409294.db2.gz DTMVTRHZCDJPQI-INIZCTEOSA-N 1 0 386.583 2.627 20 0 GFADRO O=S(=O)(C1CC1)N1CCC([NH2+]Cc2cccn2Cc2cccs2)CC1 ZINC000151263742 551409843 /nfs/dbraw/zinc/40/98/43/551409843.db2.gz FPPWXPYPJHOOGN-UHFFFAOYSA-N 1 0 379.551 2.644 20 0 GFADRO Cc1ccc(NC(=O)NC[C@H](C(C)C)[NH+]2CCN(C)CC2)c(Br)n1 ZINC000151412448 551413466 /nfs/dbraw/zinc/41/34/66/551413466.db2.gz SSXIWQNJGXUJSF-OAHLLOKOSA-N 1 0 398.349 2.546 20 0 GFADRO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NCc1ccc(O)c(Br)c1 ZINC000151560486 551416426 /nfs/dbraw/zinc/41/64/26/551416426.db2.gz NCSKCPDXOIQEFC-INIZCTEOSA-N 1 0 385.302 2.564 20 0 GFADRO COC(=O)C(C)(C)C[NH2+][C@@H](C)C(=O)N(C)Cc1ccc(Br)cc1 ZINC000151793289 551421489 /nfs/dbraw/zinc/42/14/89/551421489.db2.gz ITMSROYGUKQVOO-LBPRGKRZSA-N 1 0 385.302 2.585 20 0 GFADRO CC[C@@H](C)[N@H+](C)CCNC(=O)c1ccc(OC)c(I)c1 ZINC000151799541 551421499 /nfs/dbraw/zinc/42/14/99/551421499.db2.gz YWFRTKCIAFQDKX-LLVKDONJSA-N 1 0 390.265 2.760 20 0 GFADRO CC(C)(C[NH3+])NC(=O)c1cccc(Br)c1I ZINC000151860972 551422519 /nfs/dbraw/zinc/42/25/19/551422519.db2.gz LOPOAUYSXUDVQD-UHFFFAOYSA-N 1 0 397.054 2.521 20 0 GFADRO CC(C)N(CC[NH+](C)C)C(=O)c1ccc(I)c(F)c1 ZINC000151977637 551424456 /nfs/dbraw/zinc/42/44/56/551424456.db2.gz LEKBESFKPVPBSK-UHFFFAOYSA-N 1 0 378.229 2.843 20 0 GFADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)Nc2cccc(Cl)c2Cl)CC1 ZINC000152012084 551425004 /nfs/dbraw/zinc/42/50/04/551425004.db2.gz YMCUFXKJXKLWCD-CQSZACIVSA-N 1 0 385.295 2.764 20 0 GFADRO Cc1cccc([C@H](C)[NH2+]Cc2ccc(S(=O)(=O)N3CCOCC3)s2)c1 ZINC000152151547 551427555 /nfs/dbraw/zinc/42/75/55/551427555.db2.gz NUWFORYCXLMWHF-HNNXBMFYSA-N 1 0 380.535 2.928 20 0 GFADRO CC[NH+](CC)[C@H](C)CNC(=O)Nc1ccc(NS(C)(=O)=O)c(Cl)c1 ZINC000152150899 551427630 /nfs/dbraw/zinc/42/76/30/551427630.db2.gz JHEISEAZWRYJRC-LLVKDONJSA-N 1 0 376.910 2.563 20 0 GFADRO CN(CC(=O)Nc1c(F)cc(F)cc1Br)C[C@@H]1CCC[N@H+](C)C1 ZINC000152400562 551432595 /nfs/dbraw/zinc/43/25/95/551432595.db2.gz QOYRNIGUPHDWCA-LLVKDONJSA-N 1 0 390.272 2.939 20 0 GFADRO C[C@H]1C[C@H]([NH2+]CCCNC(=O)c2cccc(Br)c2)CN1C1CC1 ZINC000152687329 551437884 /nfs/dbraw/zinc/43/78/84/551437884.db2.gz RLDKLVJORZZCKV-BBRMVZONSA-N 1 0 380.330 2.784 20 0 GFADRO COC(=O)c1cccc(CC[NH2+][C@@H](C(N)=O)c2ccc(Br)cc2)c1 ZINC000152696121 551437927 /nfs/dbraw/zinc/43/79/27/551437927.db2.gz LPEVJMZSCZKAMO-MRXNPFEDSA-N 1 0 391.265 2.594 20 0 GFADRO CCNC(=O)N1CC[C@@H]([NH2+]Cc2nc(-c3cccc(Br)c3)c[nH]2)C1 ZINC000152759375 551438988 /nfs/dbraw/zinc/43/89/88/551438988.db2.gz BJWHJBIJVMVUCD-CQSZACIVSA-N 1 0 392.301 2.733 20 0 GFADRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2S(=O)(=O)c2ccc(F)c(Br)c2)C1 ZINC000152852761 551441158 /nfs/dbraw/zinc/44/11/58/551441158.db2.gz CLUSQVFZLQMSPW-IAQYHMDHSA-N 1 0 391.306 2.693 20 0 GFADRO COc1ccccc1[C@H](C[NH2+][C@@H](C)Cn1cc(Br)cn1)N(C)C ZINC000153305011 551450070 /nfs/dbraw/zinc/45/00/70/551450070.db2.gz ZXUNFRQBDUZCRZ-BBRMVZONSA-N 1 0 381.318 2.935 20 0 GFADRO CC[NH+]1CCN(CCCNC(=O)c2cc(C)c(Br)cc2C)CC1 ZINC000153421203 551452305 /nfs/dbraw/zinc/45/23/05/551452305.db2.gz UXOCQKYYXAACFA-UHFFFAOYSA-N 1 0 382.346 2.823 20 0 GFADRO CN(C(=O)CCNC(=O)Nc1ccc(Br)cc1)[C@H]1CCC[N@H+](C)C1 ZINC000153702715 551459115 /nfs/dbraw/zinc/45/91/15/551459115.db2.gz WURCTSFYUNUCIL-HNNXBMFYSA-N 1 0 397.317 2.513 20 0 GFADRO C[C@H](Cn1cc(Br)cn1)[NH2+]CC1(N2CCSCC2)CCCC1 ZINC000153815329 551461055 /nfs/dbraw/zinc/46/10/55/551461055.db2.gz MCYPWFBPVHQQBT-CQSZACIVSA-N 1 0 387.391 2.985 20 0 GFADRO CN(CC[NH+]1CCCC1)Cc1csc(-c2ccc(S(C)(=O)=O)cc2)n1 ZINC000153825039 551461070 /nfs/dbraw/zinc/46/10/70/551461070.db2.gz VLSIMHDAIVKYHA-UHFFFAOYSA-N 1 0 379.551 2.741 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)Cc2ccccc2I)C[N@@H+]1C1CC1 ZINC000154068915 551467095 /nfs/dbraw/zinc/46/70/95/551467095.db2.gz SVAXKMPJECJQJX-DGCLKSJQSA-N 1 0 384.261 2.575 20 0 GFADRO C[C@H]1CN(C(=O)c2ccc(I)c(Cl)c2)C[C@H](C)[NH2+]1 ZINC000154132132 551468249 /nfs/dbraw/zinc/46/82/49/551468249.db2.gz PEBIYFQFWHBKJU-IUCAKERBSA-N 1 0 378.641 2.767 20 0 GFADRO C[C@H](Cn1cc(Br)cn1)[NH2+]CC1(N2CCOCC2)CCCCC1 ZINC000154174214 551469099 /nfs/dbraw/zinc/46/90/99/551469099.db2.gz VVRMYNTZSIWOSR-OAHLLOKOSA-N 1 0 385.350 2.659 20 0 GFADRO C[C@@H]1CN(C(=O)c2ccc(Cl)c(I)c2)C[C@H](C)[NH2+]1 ZINC000154190765 551469468 /nfs/dbraw/zinc/46/94/68/551469468.db2.gz AKVJNOCWXVONOK-DTORHVGOSA-N 1 0 378.641 2.767 20 0 GFADRO COC(=O)c1sccc1CN1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000154583666 551478415 /nfs/dbraw/zinc/47/84/15/551478415.db2.gz QMRKJGZGPHQJPT-UHFFFAOYSA-N 1 0 380.432 2.621 20 0 GFADRO CCCC[C@H]([NH3+])C(=O)N[C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000154592887 551478487 /nfs/dbraw/zinc/47/84/87/551478487.db2.gz ZPGHBICGBLRACU-YPMHNXCESA-N 1 0 378.826 2.966 20 0 GFADRO C[NH+](C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1CCc2c1cccc2Br ZINC000154622728 551479443 /nfs/dbraw/zinc/47/94/43/551479443.db2.gz VTERWMHQWFHKKW-QGZVFWFLSA-N 1 0 397.361 2.571 20 0 GFADRO O=C(NCCCC[NH+]1CCOCC1)NC1(c2ccc(Br)cc2)CC1 ZINC000154778965 551482948 /nfs/dbraw/zinc/48/29/48/551482948.db2.gz KQLLGXCRVLPNHW-UHFFFAOYSA-N 1 0 396.329 2.850 20 0 GFADRO CC[NH+]1CCN(CCC(=O)N[C@H](C)Cc2ccccc2Br)CC1 ZINC000155075563 551490822 /nfs/dbraw/zinc/49/08/22/551490822.db2.gz FQEFGXSTNVSQRH-OAHLLOKOSA-N 1 0 382.346 2.524 20 0 GFADRO C[NH+](C)CCOc1cc(C(=O)Nc2nnc(-c3ccsc3)s2)ccn1 ZINC000155121663 551491914 /nfs/dbraw/zinc/49/19/14/551491914.db2.gz QYNIZCGCGYZPRO-UHFFFAOYSA-N 1 0 375.479 2.854 20 0 GFADRO CC[NH+](CC)CCNC(=O)NCCC(=O)Nc1cc(Br)ccc1C ZINC000155138405 551492743 /nfs/dbraw/zinc/49/27/43/551492743.db2.gz JZYSXTKPHYWKQI-UHFFFAOYSA-N 1 0 399.333 2.727 20 0 GFADRO C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CC(C)(C)N1CCOCC1 ZINC000155295099 551496662 /nfs/dbraw/zinc/49/66/62/551496662.db2.gz HKTFHCQTYDKISI-AWEZNQCLSA-N 1 0 398.345 2.867 20 0 GFADRO C[NH+]1CCC(N(CCO)Cc2nc(-c3ccc(Br)cc3)c[nH]2)CC1 ZINC000155512719 551501401 /nfs/dbraw/zinc/50/14/01/551501401.db2.gz CSAMHMQLRJEUQF-UHFFFAOYSA-N 1 0 393.329 2.728 20 0 GFADRO COC(=O)C[C@H]1CSCC[N@@H+]1C[C@H](O)Cc1ccccc1C(F)(F)F ZINC000155685723 551505948 /nfs/dbraw/zinc/50/59/48/551505948.db2.gz XLWBBHFMKCJLMI-UONOGXRCSA-N 1 0 377.428 2.589 20 0 GFADRO CC[NH+]1CCN([C@@H](C)CNC(=O)c2c[nH]c3cccc(Br)c23)CC1 ZINC000155868155 551509694 /nfs/dbraw/zinc/50/96/94/551509694.db2.gz CQBIQVJGSUPEIH-ZDUSSCGKSA-N 1 0 393.329 2.686 20 0 GFADRO CN(Cc1cc(Br)cs1)C(=O)C[N@H+](C)CC1CCOCC1 ZINC000156172332 551516544 /nfs/dbraw/zinc/51/65/44/551516544.db2.gz XQRWIHANPDXCSI-UHFFFAOYSA-N 1 0 375.332 2.827 20 0 GFADRO C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(Cl)c(Br)c2)C1 ZINC000156281046 551518868 /nfs/dbraw/zinc/51/88/68/551518868.db2.gz ABILOTAMELYRDT-LLVKDONJSA-N 1 0 388.693 2.594 20 0 GFADRO C[C@@H]1CCC[N@@H+]1C1CCN(C(=O)Nc2cc(Br)c(=O)n(C)c2)CC1 ZINC000156321546 551519942 /nfs/dbraw/zinc/51/99/42/551519942.db2.gz SATDKBULDGOHFM-GFCCVEGCSA-N 1 0 397.317 2.628 20 0 GFADRO Cc1cccc(S(=O)(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c1Br ZINC000156349388 551521034 /nfs/dbraw/zinc/52/10/34/551521034.db2.gz AZWVVZQYDJOLQL-CHWSQXEVSA-N 1 0 375.332 2.861 20 0 GFADRO COc1cc([C@@H](C)[NH2+]CCCN(C)CC(F)(F)F)ccc1S(C)(=O)=O ZINC000156381774 551521771 /nfs/dbraw/zinc/52/17/71/551521771.db2.gz SJNBPWUNQNJVIH-GFCCVEGCSA-N 1 0 382.448 2.634 20 0 GFADRO CC(=O)N1CC[C@@H](C[N@@H+](C)CC(=O)N(C)Cc2cc(Cl)cc(Cl)c2)C1 ZINC000156440661 551522850 /nfs/dbraw/zinc/52/28/50/551522850.db2.gz HFNPRMUAKOXOHE-AWEZNQCLSA-N 1 0 386.323 2.752 20 0 GFADRO COc1cc(C[NH2+]Cc2cnc3cnccn23)cc(Br)c1OC ZINC000156775584 551527906 /nfs/dbraw/zinc/52/79/06/551527906.db2.gz JPVJTVGTBBEQQL-UHFFFAOYSA-N 1 0 377.242 2.799 20 0 GFADRO CSCC[C@H]([NH3+])C(=O)Nc1cc(-c2ccc(Br)s2)[nH]n1 ZINC000157217798 551535154 /nfs/dbraw/zinc/53/51/54/551535154.db2.gz IFFKCAFNHZEYFQ-ZETCQYMHSA-N 1 0 375.317 2.920 20 0 GFADRO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NCc1cc(Br)ccc1F ZINC000157230589 551535478 /nfs/dbraw/zinc/53/54/78/551535478.db2.gz YDPGCQICXPHHEC-INIZCTEOSA-N 1 0 387.293 2.998 20 0 GFADRO CC(C)(C)[N@H+](CCS(C)(=O)=O)C[C@@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC000157306751 551536468 /nfs/dbraw/zinc/53/64/68/551536468.db2.gz GBXFPGPCURULLU-HNNXBMFYSA-N 1 0 381.460 2.754 20 0 GFADRO O=C(CC[NH+]1CCC(n2cncn2)CC1)Nc1ccc(Br)cc1 ZINC000157765210 551541944 /nfs/dbraw/zinc/54/19/44/551541944.db2.gz YEVODUSXMHBDNG-UHFFFAOYSA-N 1 0 378.274 2.706 20 0 GFADRO Brc1cnc2c(c1)nccc2N1CC[NH+](C2CCOCC2)CC1 ZINC000157837136 551543245 /nfs/dbraw/zinc/54/32/45/551543245.db2.gz YXYXTWMAFHUHPD-UHFFFAOYSA-N 1 0 377.286 2.693 20 0 GFADRO C[C@H](NC(=O)CCCCOc1ccc(Br)cc1)[C@@H]1CN(C)CCO1 ZINC000157961143 551545023 /nfs/dbraw/zinc/54/50/23/551545023.db2.gz NNEWJMMALXKACG-YOEHRIQHSA-N 1 0 399.329 2.834 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000157965957 551545744 /nfs/dbraw/zinc/54/57/44/551545744.db2.gz RUZHWMYIDXGFBB-ZDUSSCGKSA-N 1 0 383.334 2.763 20 0 GFADRO C[NH+](C)C1CN(C(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)c(Cl)c3)C2)C1 ZINC000158287394 551550136 /nfs/dbraw/zinc/55/01/36/551550136.db2.gz NVBJDUDBDNDQDU-CYBMUJFWSA-N 1 0 384.307 2.618 20 0 GFADRO CCC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(F)cc2Br)CC1 ZINC000158363960 551550713 /nfs/dbraw/zinc/55/07/13/551550713.db2.gz XTMAOKTUIZDFTA-UHFFFAOYSA-N 1 0 386.265 2.517 20 0 GFADRO [NH3+]C[C@H]1CCCC[C@H]1NC(=O)c1ccc(S(=O)(=O)c2ccccc2)s1 ZINC000158376341 551551283 /nfs/dbraw/zinc/55/12/83/551551283.db2.gz ZICOLPJBHJLMSC-UKRRQHHQSA-N 1 0 378.519 2.828 20 0 GFADRO O=C(c1cc(=O)[nH]c2ccc(Br)cc21)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000158380051 551551389 /nfs/dbraw/zinc/55/13/89/551551389.db2.gz QSXPDQYZTVETLB-ZDUSSCGKSA-N 1 0 390.281 2.601 20 0 GFADRO C[C@H](CNC(=O)c1cc(=O)[nH]c2ccc(Br)cc21)[N@H+](C)C1CC1 ZINC000158584694 551553693 /nfs/dbraw/zinc/55/36/93/551553693.db2.gz XPHFSCSTBRMBMF-SNVBAGLBSA-N 1 0 378.270 2.503 20 0 GFADRO C[C@](C[NH3+])(NC(=O)Nc1cc(F)c(F)cc1I)C1CC1 ZINC000415243173 563763620 /nfs/dbraw/zinc/76/36/20/563763620.db2.gz VNBWNIOQTVMLCS-CYBMUJFWSA-N 1 0 395.191 2.818 20 0 GFADRO CC[N@H+](CCNC(=O)c1cc(=O)[nH]c2ccc(Br)cc21)C1CC1 ZINC000158703486 551555661 /nfs/dbraw/zinc/55/56/61/551555661.db2.gz YZDSYFAFHMLKDP-UHFFFAOYSA-N 1 0 378.270 2.505 20 0 GFADRO Cc1c(C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)cnn1-c1ccc(Br)cc1 ZINC000158992882 551559800 /nfs/dbraw/zinc/55/98/00/551559800.db2.gz IDCUOASRFSNQFT-GOSISDBHSA-N 1 0 389.297 2.769 20 0 GFADRO CC[NH+]1CCC(N[C@H](C)c2ccc(S(=O)(=O)C(F)F)c(OC)c2)CC1 ZINC000159297969 551562964 /nfs/dbraw/zinc/56/29/64/551562964.db2.gz UCYYARWGJWEXGU-GFCCVEGCSA-N 1 0 376.469 2.826 20 0 GFADRO O=C(NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1ccccc1Br ZINC000159320638 551563535 /nfs/dbraw/zinc/56/35/35/551563535.db2.gz RIOLVJJXOOIIOY-MRXNPFEDSA-N 1 0 389.293 2.598 20 0 GFADRO O=S(=O)(N[C@@H]1CC[NH2+]C2(CCC2)C1)c1ccc(Br)cc1F ZINC000161893272 551600075 /nfs/dbraw/zinc/60/00/75/551600075.db2.gz AWUKHTOUOVOXGH-LLVKDONJSA-N 1 0 377.279 2.541 20 0 GFADRO CCc1nc2c(s1)[C@H]([NH2+]CCNS(=O)(=O)c1ccc(C)cc1)CCC2 ZINC000161904386 551600478 /nfs/dbraw/zinc/60/04/78/551600478.db2.gz KLPXUFYEBCBVMM-OAHLLOKOSA-N 1 0 379.551 2.959 20 0 GFADRO [NH3+][C@@H]1CCC[C@H](NC(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CCCC2)C1 ZINC000161989212 551601534 /nfs/dbraw/zinc/60/15/34/551601534.db2.gz ZTPKOFJBCFIBAC-CABCVRRESA-N 1 0 384.929 2.813 20 0 GFADRO COCC[NH2+]CC(=O)N[C@@H](C)c1nc(-c2ccc(Br)cc2)cs1 ZINC000162054559 551602980 /nfs/dbraw/zinc/60/29/80/551602980.db2.gz SEEGKIKOFUVFNB-NSHDSACASA-N 1 0 398.326 2.986 20 0 GFADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(Cc2csc(-c3cccs3)n2)CC1 ZINC000162459151 551608616 /nfs/dbraw/zinc/60/86/16/551608616.db2.gz POJGVCRXKFEFEW-HNNXBMFYSA-N 1 0 376.551 2.610 20 0 GFADRO CCCC[N@H+](C)CCNS(=O)(=O)c1cc(N(C)C)ccc1Br ZINC000162686156 551611486 /nfs/dbraw/zinc/61/14/86/551611486.db2.gz WNKAPDJPRYMBSO-UHFFFAOYSA-N 1 0 392.363 2.525 20 0 GFADRO C[C@@H]([NH2+]C[C@H]1CCN(CC(F)(F)F)C1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000163145155 551616759 /nfs/dbraw/zinc/61/67/59/551616759.db2.gz QQCLHTXFKIURBI-VXGBXAGGSA-N 1 0 382.423 2.764 20 0 GFADRO C[C@@H]([NH2+]C[C@@H]1CCN(CC(F)(F)F)C1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000163144999 551616964 /nfs/dbraw/zinc/61/69/64/551616964.db2.gz QQCLHTXFKIURBI-NEPJUHHUSA-N 1 0 382.423 2.764 20 0 GFADRO C[C@@H](Cn1cc(Br)cn1)[NH2+][C@@H](CN1CCOCC1)c1ccccc1 ZINC000163709762 551621838 /nfs/dbraw/zinc/62/18/38/551621838.db2.gz ZEHBZUHKBDIZCH-YJBOKZPZSA-N 1 0 393.329 2.697 20 0 GFADRO C[C@@H](CCNC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)[S@](C)=O ZINC000166623202 551632253 /nfs/dbraw/zinc/63/22/53/551632253.db2.gz AKBPTCIGOUSBEV-HWRSSNJWSA-N 1 0 385.961 2.761 20 0 GFADRO Cc1cc(N2CCC[C@H]([NH2+]Cc3cncn3C)C2=O)ccc1Br ZINC000167182872 551633110 /nfs/dbraw/zinc/63/31/10/551633110.db2.gz RVZBLCJYEUBHSV-INIZCTEOSA-N 1 0 377.286 2.776 20 0 GFADRO CC[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)[C@H]2CC[NH2+]C2)CC1 ZINC000167617052 551633639 /nfs/dbraw/zinc/63/36/39/551633639.db2.gz VULWCCGIBVXDEO-RDJZCZTQSA-N 1 0 380.330 2.654 20 0 GFADRO COC(=O)c1ccc(S(=O)(=O)NC2CC[NH+](C(C)(C)C)CC2)c(Cl)c1 ZINC000171067012 551645835 /nfs/dbraw/zinc/64/58/35/551645835.db2.gz PFZQYLOTAQOWNI-UHFFFAOYSA-N 1 0 388.917 2.668 20 0 GFADRO COCCN(CC[NH+](C)C)C(=O)N[C@@H](C)Cc1cccc(Br)c1 ZINC000171662525 551660234 /nfs/dbraw/zinc/66/02/34/551660234.db2.gz GEHFFVLTFLUTAB-AWEZNQCLSA-N 1 0 386.334 2.600 20 0 GFADRO O=C(CC[N@@H+]1CCC[C@H](C2OCCO2)C1)Nc1ccccc1Br ZINC000171668763 551660932 /nfs/dbraw/zinc/66/09/32/551660932.db2.gz BUJXMNJGPYGHCF-ZDUSSCGKSA-N 1 0 383.286 2.863 20 0 GFADRO CC1(C)CN(CC[NH2+]CC2=Cc3cc(Br)ccc3OC2)CCO1 ZINC000171766611 551662705 /nfs/dbraw/zinc/66/27/05/551662705.db2.gz JLDOSDGFBARPGQ-UHFFFAOYSA-N 1 0 381.314 2.925 20 0 GFADRO O=C(NCC1CC[NH+](CCO)CC1)N[C@H]1CCSc2ccc(Cl)cc21 ZINC000171899430 551666016 /nfs/dbraw/zinc/66/60/16/551666016.db2.gz USECIQGOCLMAAM-INIZCTEOSA-N 1 0 383.945 2.880 20 0 GFADRO Cc1cc(CC(=O)N(CC[NH+](C)C)Cc2ccc(Br)cc2)no1 ZINC000172137468 551671448 /nfs/dbraw/zinc/67/14/48/551671448.db2.gz ROXGUVRKQVYIHH-UHFFFAOYSA-N 1 0 380.286 2.878 20 0 GFADRO C[NH+](C)C[C@H]1CCN(C(=O)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)C1 ZINC000172291653 551675535 /nfs/dbraw/zinc/67/55/35/551675535.db2.gz LQGFYPIVWIIHAK-SNVBAGLBSA-N 1 0 377.794 2.707 20 0 GFADRO COCCC[NH+]1CCC(NC(=O)NCCc2ccc(Br)cc2)CC1 ZINC000172334454 551676596 /nfs/dbraw/zinc/67/65/96/551676596.db2.gz DPORXXSFQKDWKV-UHFFFAOYSA-N 1 0 398.345 2.792 20 0 GFADRO O=C1NC2(CCCC2)C(=O)N1CC[NH2+]C1(c2ccc(Br)cc2)CC1 ZINC000172768735 551686854 /nfs/dbraw/zinc/68/68/54/551686854.db2.gz NCQZQFKSNFANCI-UHFFFAOYSA-N 1 0 392.297 2.892 20 0 GFADRO CC[NH+](CC)Cc1ccccc1CNC(=O)c1c[nH]c(=O)c(Br)c1 ZINC000172983932 551691684 /nfs/dbraw/zinc/69/16/84/551691684.db2.gz IPHSMKXHNPDOBP-UHFFFAOYSA-N 1 0 392.297 2.909 20 0 GFADRO C[C@@H](NC(=O)C(=O)Nc1ccc(Br)c(Cl)c1)[C@H]1CCC[NH2+]C1 ZINC000415357115 563769969 /nfs/dbraw/zinc/76/99/69/563769969.db2.gz VYVBTZZKURKGAI-ZJUUUORDSA-N 1 0 388.693 2.545 20 0 GFADRO CO[C@@H]1CCN(C(=O)Nc2c(F)cc(F)cc2Br)[C@@H](C[NH3+])C1 ZINC000415563244 563784631 /nfs/dbraw/zinc/78/46/31/563784631.db2.gz YBWITYNEILZVPI-NXEZZACHSA-N 1 0 378.217 2.697 20 0 GFADRO O[C@@H](COCC(F)(F)F)CN1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000292738470 563794266 /nfs/dbraw/zinc/79/42/66/563794266.db2.gz VVRRHJGWYXOHMZ-ZIAGYGMSSA-N 1 0 398.219 2.762 20 0 GFADRO Cc1nc(SCCC(=O)NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)n[nH]1 ZINC000173195825 552079160 /nfs/dbraw/zinc/07/91/60/552079160.db2.gz ZJEVEDWLTUQVHU-CJNGLKHVSA-N 1 0 379.555 2.856 20 0 GFADRO Cc1ccc(NC(=O)C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c(Br)c1 ZINC000173457650 552085600 /nfs/dbraw/zinc/08/56/00/552085600.db2.gz PWQRNTWNWJFFIQ-AGUYFDCRSA-N 1 0 394.313 2.828 20 0 GFADRO CC[NH+](CC)C[C@H]1CCN(C(=O)CNC(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000173599891 552088783 /nfs/dbraw/zinc/08/87/83/552088783.db2.gz FFIOYDSQHXINFM-CYBMUJFWSA-N 1 0 386.323 2.914 20 0 GFADRO CC[NH+](CC)C[C@H]1CCN(C(=O)C(=O)Nc2ccccc2Br)C1 ZINC000173608795 552088978 /nfs/dbraw/zinc/08/89/78/552088978.db2.gz HVQNAVRSROTSGO-CYBMUJFWSA-N 1 0 382.302 2.578 20 0 GFADRO C[C@@H](C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1)[N@@H+]1CCC(C)(C)C1 ZINC000173812368 552092541 /nfs/dbraw/zinc/09/25/41/552092541.db2.gz VTIUCWKUYOMCMQ-LBPRGKRZSA-N 1 0 387.933 2.649 20 0 GFADRO O=C(NC1CC[NH+](Cc2ccncc2)CC1)c1ccc(Br)nc1 ZINC000174108378 552099068 /nfs/dbraw/zinc/09/90/68/552099068.db2.gz MWPIZXJOORKYDY-UHFFFAOYSA-N 1 0 375.270 2.634 20 0 GFADRO C[C@@H](NC(=O)C1CC[NH+](C)CC1)c1cc2c(cc1Br)OCCO2 ZINC000174112907 552099404 /nfs/dbraw/zinc/09/94/04/552099404.db2.gz TUQAKEDVFMBWBY-LLVKDONJSA-N 1 0 383.286 2.739 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC000174418456 552103302 /nfs/dbraw/zinc/10/33/02/552103302.db2.gz KRRUWHDVKPGSAN-UHFFFAOYSA-N 1 0 396.329 2.933 20 0 GFADRO O=C(c1cc(I)c[nH]1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000174521826 552105728 /nfs/dbraw/zinc/10/57/28/552105728.db2.gz CONTWAQLTBYJGB-GFCCVEGCSA-N 1 0 387.265 2.567 20 0 GFADRO COC(=O)C[C@H](NC(=O)C1CC[NH+](C)CC1)c1ccc(Br)cc1 ZINC000174545133 552106206 /nfs/dbraw/zinc/10/62/06/552106206.db2.gz CRAOYAAFVHNKKS-HNNXBMFYSA-N 1 0 383.286 2.511 20 0 GFADRO CC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H](C)NC(=O)c2cccc(Cl)c2Cl)C1 ZINC000174540674 552106368 /nfs/dbraw/zinc/10/63/68/552106368.db2.gz CBWHWHCLVWEFRX-CHWSQXEVSA-N 1 0 386.323 2.912 20 0 GFADRO C[NH+](C)[C@H]1CCC[C@@H](NS(=O)(=O)c2ccc(F)c(Br)c2)C1 ZINC000175080196 552115292 /nfs/dbraw/zinc/11/52/92/552115292.db2.gz MMHZLGQSRACJNP-MNOVXSKESA-N 1 0 379.295 2.739 20 0 GFADRO CCC[N@H+](CC)CCNC(=O)NCC(=O)Nc1cc(Cl)ccc1Cl ZINC000175167969 552117007 /nfs/dbraw/zinc/11/70/07/552117007.db2.gz PBVCLXBRADGORL-UHFFFAOYSA-N 1 0 375.300 2.963 20 0 GFADRO COc1ccc(Br)c(S(=O)(=O)NCC[N@@H+]2CCCC[C@H]2C)c1 ZINC000175222600 552118449 /nfs/dbraw/zinc/11/84/49/552118449.db2.gz KPHSSOSPKIXXQU-GFCCVEGCSA-N 1 0 391.331 2.610 20 0 GFADRO CC[C@@H]1CN(C(=O)Nc2ccc(F)cc2Br)CC[N@@H+]1C[C@@H](C)O ZINC000175338628 552119482 /nfs/dbraw/zinc/11/94/82/552119482.db2.gz HMGOWEXKAWITDG-DGCLKSJQSA-N 1 0 388.281 2.897 20 0 GFADRO CC[NH+](CC)[C@@H]1CCN(C(=O)c2cc(I)ccc2O)C1 ZINC000175404497 552121184 /nfs/dbraw/zinc/12/11/84/552121184.db2.gz WHTRPCWZNLCJHT-GFCCVEGCSA-N 1 0 388.249 2.553 20 0 GFADRO CC[NH+](CC)[C@H]1CCN(C(=O)c2cc(I)ccc2O)C1 ZINC000175404518 552121382 /nfs/dbraw/zinc/12/13/82/552121382.db2.gz WHTRPCWZNLCJHT-LBPRGKRZSA-N 1 0 388.249 2.553 20 0 GFADRO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CCS(=O)(=O)c1ccc(Cl)cc1 ZINC000175436940 552121683 /nfs/dbraw/zinc/12/16/83/552121683.db2.gz JVWIVKLDKIDAMG-HZPDHXFCSA-N 1 0 384.929 2.589 20 0 GFADRO C[C@@H](NC(=O)NCCN1CCC([NH+](C)C)CC1)c1ccc(Br)cc1 ZINC000175536603 552124130 /nfs/dbraw/zinc/12/41/30/552124130.db2.gz CTRNFTZAZZSXKU-CQSZACIVSA-N 1 0 397.361 2.835 20 0 GFADRO Cc1cc(CCC(=O)NCCCC[NH+]2CCOCC2)ccc1Br ZINC000175672168 552126890 /nfs/dbraw/zinc/12/68/90/552126890.db2.gz VATZHULHKYAILF-UHFFFAOYSA-N 1 0 383.330 2.919 20 0 GFADRO CCC[N@H+](CC)CCNC(=O)Nc1ccc(NS(C)(=O)=O)c(Cl)c1 ZINC000175889250 552131435 /nfs/dbraw/zinc/13/14/35/552131435.db2.gz UDDOMDJQDKHPRW-UHFFFAOYSA-N 1 0 376.910 2.565 20 0 GFADRO O=C1CCCN1C[C@@H](O)C[N@@H+]1CCC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000175932309 552132550 /nfs/dbraw/zinc/13/25/50/552132550.db2.gz COAODJZNHAWRCV-DZGCQCFKSA-N 1 0 387.307 2.820 20 0 GFADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)CCc1ccc(Br)c(C)c1 ZINC000175999929 552133847 /nfs/dbraw/zinc/13/38/47/552133847.db2.gz PFAXLDIGGAPNLZ-MRXNPFEDSA-N 1 0 383.330 2.917 20 0 GFADRO O=C(Nc1nc(-c2cccs2)cs1)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000175993492 552133910 /nfs/dbraw/zinc/13/39/10/552133910.db2.gz GYJPBEPCXYIQCI-GFCCVEGCSA-N 1 0 376.507 2.507 20 0 GFADRO O=C(NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1)NC[C@@]1(O)CCSC1 ZINC000176205494 552136658 /nfs/dbraw/zinc/13/66/58/552136658.db2.gz VRUQDOFRDZJBKR-WMZOPIPTSA-N 1 0 383.945 2.644 20 0 GFADRO CC[NH+]1CCN([C@H]2CCN(C(=O)CCc3ccc(Br)cc3)C2)CC1 ZINC000176325501 552138798 /nfs/dbraw/zinc/13/87/98/552138798.db2.gz VFSPWHJOKOGNAF-SFHVURJKSA-N 1 0 394.357 2.620 20 0 GFADRO CCOC[C@@H]1CC[N@H+](CC(=O)N(C)CCOc2ccc(Br)cc2)C1 ZINC000176344474 552139034 /nfs/dbraw/zinc/13/90/34/552139034.db2.gz CGMXYWGGIHSZLW-OAHLLOKOSA-N 1 0 399.329 2.645 20 0 GFADRO O=C(Nc1ccccc1Br)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000176371799 552139410 /nfs/dbraw/zinc/13/94/10/552139410.db2.gz KQTHPNYOFXDQTP-UHFFFAOYSA-N 1 0 394.313 2.911 20 0 GFADRO CC(C)[C@H](CNC(=O)CCc1ccc(Br)cc1)[NH+]1CCN(C)CC1 ZINC000176377239 552140056 /nfs/dbraw/zinc/14/00/56/552140056.db2.gz UFNXLQAMSBDFKY-SFHVURJKSA-N 1 0 396.373 2.770 20 0 GFADRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)Cc2cc3c(cc2Br)OCCO3)C1 ZINC000176676915 552143654 /nfs/dbraw/zinc/14/36/54/552143654.db2.gz HPHZVJGLGCOTII-KGLIPLIRSA-N 1 0 397.313 2.752 20 0 GFADRO C[NH+](C)CCN(Cc1cccs1)S(=O)(=O)c1ccc(F)c(F)c1F ZINC000176792633 552145614 /nfs/dbraw/zinc/14/56/14/552145614.db2.gz JOERKVPYAIOGKZ-UHFFFAOYSA-N 1 0 378.441 2.918 20 0 GFADRO CN(CC[NH+](C)C)C(=O)c1cccc(NC(=O)c2ccc(Br)o2)c1 ZINC000176806759 552146311 /nfs/dbraw/zinc/14/63/11/552146311.db2.gz FWWZPUJLORYSFR-UHFFFAOYSA-N 1 0 394.269 2.928 20 0 GFADRO C[C@H]([N@H+](C)CC(=O)NCC(=O)Nc1ccccc1Br)C1(C)CC1 ZINC000177215084 552151943 /nfs/dbraw/zinc/15/19/43/552151943.db2.gz MWQUKRGTZMNLJM-LBPRGKRZSA-N 1 0 382.302 2.624 20 0 GFADRO C[NH+](C)C1CCN(C(=O)C(=O)Nc2ccc(Cl)cc2Br)CC1 ZINC000177701267 552157113 /nfs/dbraw/zinc/15/71/13/552157113.db2.gz IPAMKELRZODSGT-UHFFFAOYSA-N 1 0 388.693 2.594 20 0 GFADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc2c(c(Br)c1)OCO2 ZINC000177796997 552158701 /nfs/dbraw/zinc/15/87/01/552158701.db2.gz HXCFHVHGOCTQDP-OLZOCXBDSA-N 1 0 381.270 2.877 20 0 GFADRO C[C@@H]([NH3+])c1ccc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2cccs2)cc1 ZINC000178188918 552166727 /nfs/dbraw/zinc/16/67/27/552166727.db2.gz JRZOFDWLDKSEOJ-IUODEOHRSA-N 1 0 379.507 2.560 20 0 GFADRO O=C(NCc1ccc(O)c(Br)c1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000178267333 552168028 /nfs/dbraw/zinc/16/80/28/552168028.db2.gz KMVYJHBUOFIXAB-CQSZACIVSA-N 1 0 382.302 2.925 20 0 GFADRO Cc1c(C(=O)N2CCC([C@@H](C)[NH3+])CC2)nnn1-c1cccc(Br)c1 ZINC000178813932 552175891 /nfs/dbraw/zinc/17/58/91/552175891.db2.gz FYXOPVCWPHSIIY-LLVKDONJSA-N 1 0 392.301 2.538 20 0 GFADRO C[C@@H]([NH3+])C1CCN(C(=O)[C@@H]2CC(=O)N(c3cc(Cl)cc(Cl)c3)C2)CC1 ZINC000178870262 552178047 /nfs/dbraw/zinc/17/80/47/552178047.db2.gz QOMMHTSTXVIDTI-DGCLKSJQSA-N 1 0 384.307 2.932 20 0 GFADRO CCCN([C@H]1CC[NH2+]C1)S(=O)(=O)c1cc(Br)c(C)cc1OC ZINC000178931114 552179717 /nfs/dbraw/zinc/17/97/17/552179717.db2.gz LGIUFTIHUFDXQM-LBPRGKRZSA-N 1 0 391.331 2.529 20 0 GFADRO C[C@H](Cn1cc(Br)cn1)[NH2+]Cc1cccnc1OCC(F)F ZINC000179521728 552195656 /nfs/dbraw/zinc/19/56/56/552195656.db2.gz RFGFAFSNJQZWOW-SNVBAGLBSA-N 1 0 375.217 2.863 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C[N@@H+]1CCC[C@@H](OCCO)C1 ZINC000179571031 552196537 /nfs/dbraw/zinc/19/65/37/552196537.db2.gz GIXOWVUIYKSXLV-GOSISDBHSA-N 1 0 394.313 2.917 20 0 GFADRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)c2cnn3cc(Br)cnc23)C1 ZINC000179917038 552207044 /nfs/dbraw/zinc/20/70/44/552207044.db2.gz KEANPFLFDJXHGB-ZDUSSCGKSA-N 1 0 394.317 2.590 20 0 GFADRO C[NH+](C)C1CCN(CCNC(=O)C[C@@H](O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000180129183 552214272 /nfs/dbraw/zinc/21/42/72/552214272.db2.gz YISIQWJXISNSTH-QGZVFWFLSA-N 1 0 388.339 2.559 20 0 GFADRO CS(=O)(=O)Nc1ccc(OCC[NH2+]Cc2ccc(Br)cc2)cc1 ZINC000180352238 552223592 /nfs/dbraw/zinc/22/35/92/552223592.db2.gz FUQATVHBKUEQEW-UHFFFAOYSA-N 1 0 399.310 2.989 20 0 GFADRO CN1CC[NH+]([C@@H]2CCCCN(C(=O)NCCc3ccc(Cl)s3)C2)CC1 ZINC000180408795 552225775 /nfs/dbraw/zinc/22/57/75/552225775.db2.gz ZEMOZYQPUQFQPA-OAHLLOKOSA-N 1 0 384.977 2.756 20 0 GFADRO C[C@@H]([NH2+]CCS(=O)(=O)NC[C@H]1CCCCO1)c1ccc(F)c(Cl)c1 ZINC000180743205 552234736 /nfs/dbraw/zinc/23/47/36/552234736.db2.gz NBKSUBNKXKHNCH-TZMCWYRMSA-N 1 0 378.897 2.618 20 0 GFADRO Cc1cc(C(=O)NC[C@](C)(O)C[NH+](C)C)nn1-c1ccc(Cl)c(Cl)c1 ZINC000180815220 552236562 /nfs/dbraw/zinc/23/65/62/552236562.db2.gz ZVIGJBGFXIGBGB-KRWDZBQOSA-N 1 0 385.295 2.530 20 0 GFADRO C[C@@H]([NH2+][C@@H]1CCN(c2cnn(C)c2)C1=O)c1ccc(F)c(Br)c1 ZINC000180963136 552241322 /nfs/dbraw/zinc/24/13/22/552241322.db2.gz MITZDMLPYHXCTL-MEBBXXQBSA-N 1 0 381.249 2.778 20 0 GFADRO COc1cc([C@H](C)[NH2+]Cc2ccc([S@@](C)=O)cc2)ccc1S(C)(=O)=O ZINC000181250912 552251252 /nfs/dbraw/zinc/25/12/52/552251252.db2.gz ZSOKEJFQIXBHRG-RKNYENMMSA-N 1 0 381.519 2.687 20 0 GFADRO C[C@@H]([NH2+]CCOc1ncccc1Cl)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000181321086 552252823 /nfs/dbraw/zinc/25/28/23/552252823.db2.gz COYLSBBDJMCDMP-CYBMUJFWSA-N 1 0 383.901 2.715 20 0 GFADRO C[C@H]([NH2+]CCOc1ncccc1Cl)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000181320155 552252902 /nfs/dbraw/zinc/25/29/02/552252902.db2.gz YNRXOCLLLAHLFW-ZDUSSCGKSA-N 1 0 383.901 2.715 20 0 GFADRO C[C@H]([NH2+][C@H]1CCO[C@]2(CCSC2)C1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000181452483 552256915 /nfs/dbraw/zinc/25/69/15/552256915.db2.gz UDPQRYLCPPHNQO-QILLFSRXSA-N 1 0 384.567 2.642 20 0 GFADRO COc1ccc(OC)c([C@@H](C)[NH2+]CCN(C)S(=O)(=O)c2cccs2)c1 ZINC000181503062 552258334 /nfs/dbraw/zinc/25/83/34/552258334.db2.gz DHZJCBWZDIRMOD-CYBMUJFWSA-N 1 0 384.523 2.737 20 0 GFADRO O=S(=O)(C[C@@H](O)C[NH2+][C@@H]1CCSc2c(F)cccc21)c1cccs1 ZINC000181634386 552263010 /nfs/dbraw/zinc/26/30/10/552263010.db2.gz XVBDANBIARBWHM-SMDDNHRTSA-N 1 0 387.523 2.849 20 0 GFADRO CC[NH+](CC)CCCNC(=O)C(=O)Nc1ccc(Cl)c(OC(F)F)c1 ZINC000181646018 552264372 /nfs/dbraw/zinc/26/43/72/552264372.db2.gz JGUYACREVHQRRC-UHFFFAOYSA-N 1 0 377.819 2.728 20 0 GFADRO C[C@H]([NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1)c1ccc(SCC(F)F)cc1 ZINC000181682870 552265156 /nfs/dbraw/zinc/26/51/56/552265156.db2.gz FQLOJFWDTZLNQY-STQMWFEESA-N 1 0 378.510 2.976 20 0 GFADRO COC(=O)c1ccc(C[NH2+][C@H](C)Cn2cc(Br)cn2)cc1OC ZINC000181686296 552265267 /nfs/dbraw/zinc/26/52/67/552265267.db2.gz LLNYHDHRJXYXHI-LLVKDONJSA-N 1 0 382.258 2.619 20 0 GFADRO CCO[C@H]1C[C@@H]([NH2+]C2CCN(S(=O)(=O)C(F)(F)F)CC2)C12CCCC2 ZINC000181884503 552269850 /nfs/dbraw/zinc/26/98/50/552269850.db2.gz KAFRIMUVMKFCLE-KGLIPLIRSA-N 1 0 384.464 2.628 20 0 GFADRO C[C@H]([NH2+][C@H](CC(N)=O)C1CCOCC1)C(=O)Nc1ccc(Cl)cc1Cl ZINC000181961940 552271641 /nfs/dbraw/zinc/27/16/41/552271641.db2.gz BMHAXJOLJVOKBV-ZUZCIYMTSA-N 1 0 388.295 2.581 20 0 GFADRO CN(C)C(=O)[C@H]1CC[C@H](C[NH2+]CC2=Cc3cc(Cl)cc(Cl)c3OC2)O1 ZINC000182036788 552273851 /nfs/dbraw/zinc/27/38/51/552273851.db2.gz YUQUXZBGAQXDOS-GDBMZVCRSA-N 1 0 385.291 2.995 20 0 GFADRO COc1ccc([C@H](C)[NH2+]C[C@@H]2CC[C@H](C(=O)N(C)C)O2)c(Br)c1 ZINC000182107086 552275824 /nfs/dbraw/zinc/27/58/24/552275824.db2.gz LBLCGDMYLGSQIY-DETPVDSQSA-N 1 0 385.302 2.744 20 0 GFADRO Cc1cc(Cl)c(C(=O)N(CCC[NH+](C)C)[C@H]2CCS(=O)(=O)C2)cc1C ZINC000182129466 552276282 /nfs/dbraw/zinc/27/62/82/552276282.db2.gz FUTQITOPAFJGNL-HNNXBMFYSA-N 1 0 386.945 2.538 20 0 GFADRO C[C@H](CCNC(=O)C(=O)Nc1cccc(Br)c1)[NH+]1CCCCC1 ZINC000182144781 552276579 /nfs/dbraw/zinc/27/65/79/552276579.db2.gz XQEJWSLFLIQRRF-CYBMUJFWSA-N 1 0 382.302 2.768 20 0 GFADRO COC(=O)c1cc(C[NH2+]CCNC(=O)c2cccc(Br)c2)oc1C ZINC000182206134 552278411 /nfs/dbraw/zinc/27/84/11/552278411.db2.gz FEHYPWASDKTNJV-UHFFFAOYSA-N 1 0 395.253 2.657 20 0 GFADRO C[C@@H](CS(C)(=O)=O)[NH2+]C[C@H](c1ccccc1)N1CCc2sccc2C1 ZINC000182451586 552284224 /nfs/dbraw/zinc/28/42/24/552284224.db2.gz WYWLWZGHGXTCFG-MAUKXSAKSA-N 1 0 378.563 2.870 20 0 GFADRO COCCN(CC[NH+](C)C)C(=O)Nc1cc(F)c(Br)c(F)c1 ZINC000182485924 552285435 /nfs/dbraw/zinc/28/54/35/552285435.db2.gz RWKUQTIBYNOMBP-UHFFFAOYSA-N 1 0 380.233 2.769 20 0 GFADRO C[C@H]([NH2+]C[C@@H]1CCCN(S(C)(=O)=O)C1)c1ccc(OC(F)(F)F)cc1 ZINC000182514959 552286372 /nfs/dbraw/zinc/28/63/72/552286372.db2.gz RCOPBKQZXBZOJT-STQMWFEESA-N 1 0 380.432 2.907 20 0 GFADRO COc1ccc(C[NH2+][C@H]2CCCC[C@@H]2S(C)(=O)=O)cc1Br ZINC000182753343 552292409 /nfs/dbraw/zinc/29/24/09/552292409.db2.gz ZGYYFYLJFPOGAK-ZFWWWQNUSA-N 1 0 376.316 2.903 20 0 GFADRO CN(C)C(=O)N1CCC([NH2+][C@H]2CCN(c3ccc(Br)cc3)C2)CC1 ZINC000182804052 552293312 /nfs/dbraw/zinc/29/33/12/552293312.db2.gz LHISRHGNECKSJT-INIZCTEOSA-N 1 0 395.345 2.763 20 0 GFADRO C[C@@H](CS(C)(=O)=O)[NH2+]C[C@@H](c1ccc(Cl)cc1)N1CCOC(C)(C)C1 ZINC000182809547 552293576 /nfs/dbraw/zinc/29/35/76/552293576.db2.gz BZWKYDLKURKTOO-YOEHRIQHSA-N 1 0 388.961 2.515 20 0 GFADRO C[C@@H]([NH2+][C@@H](C)C(=O)N1CCN(c2ncccn2)CC1)c1ccc(Cl)s1 ZINC000182964559 552297570 /nfs/dbraw/zinc/29/75/70/552297570.db2.gz KWYRYCXDUOXGIC-OLZOCXBDSA-N 1 0 379.917 2.579 20 0 GFADRO Cc1cc2cc(C(=O)NCCCN3CC[NH+](C)CC3)oc2c(Br)c1 ZINC000182985114 552297977 /nfs/dbraw/zinc/29/79/77/552297977.db2.gz ABNHHGVLFRPNQW-UHFFFAOYSA-N 1 0 394.313 2.871 20 0 GFADRO Cc1cc(I)ccc1NC(=O)C[NH2+][C@@H](C)[C@@H]1CCCO1 ZINC000183139254 552301264 /nfs/dbraw/zinc/30/12/64/552301264.db2.gz LNLDQYHDJCDINV-FZMZJTMJSA-N 1 0 388.249 2.695 20 0 GFADRO COC(=O)C1(C[NH2+][C@H](C(N)=O)c2cccc(Br)c2)CCCCC1 ZINC000183168408 552301986 /nfs/dbraw/zinc/30/19/86/552301986.db2.gz OKBVHKFKLPUDBZ-AWEZNQCLSA-N 1 0 383.286 2.689 20 0 GFADRO CCOC(=O)c1c(C)c(C)sc1NC(=O)C[C@H](C)[NH2+][C@H](C)C[S@](C)=O ZINC000183206463 552303154 /nfs/dbraw/zinc/30/31/54/552303154.db2.gz QRXXTPYOIWXDRH-OZGSTZEOSA-N 1 0 388.555 2.615 20 0 GFADRO Cc1[nH]cc(C(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)c(=O)c1Br ZINC000183217862 552303274 /nfs/dbraw/zinc/30/32/74/552303274.db2.gz WIXQFXNHGFTLEG-CYBMUJFWSA-N 1 0 382.302 2.806 20 0 GFADRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)NCc2ccc(O)c(Br)c2)C1 ZINC000183319284 552305802 /nfs/dbraw/zinc/30/58/02/552305802.db2.gz WGFOWPTYAPACKZ-HIFRSBDPSA-N 1 0 382.302 2.780 20 0 GFADRO O=C(NCC[NH+]1CCCCC1)c1ncc(Br)cc1Br ZINC000183382356 552307993 /nfs/dbraw/zinc/30/79/93/552307993.db2.gz IABLLLKAMLLUBR-UHFFFAOYSA-N 1 0 391.107 2.822 20 0 GFADRO C[NH+](C)CC1(CNC(=O)C(=O)Nc2ccc(Br)cc2)CCCC1 ZINC000183357960 552307202 /nfs/dbraw/zinc/30/72/02/552307202.db2.gz YGBZWQWUEFWLIE-UHFFFAOYSA-N 1 0 382.302 2.626 20 0 GFADRO CNc1nnc(CC(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)s1 ZINC000183478622 552310406 /nfs/dbraw/zinc/31/04/06/552310406.db2.gz KATSOAGGLYWKKL-UHFFFAOYSA-N 1 0 379.917 2.557 20 0 GFADRO COCC[NH+]1CCC(NCc2cn(-c3ccc(Cl)c(Cl)c3)nn2)CC1 ZINC000183533680 552312500 /nfs/dbraw/zinc/31/25/00/552312500.db2.gz KLTJVNUSYJNUMH-UHFFFAOYSA-N 1 0 384.311 2.775 20 0 GFADRO COC(C[N@H+](CCCO)Cc1ccc(Br)c2cccnc12)OC ZINC000183662280 552316354 /nfs/dbraw/zinc/31/63/54/552316354.db2.gz GKXUUNOLSJPNFT-UHFFFAOYSA-N 1 0 383.286 2.801 20 0 GFADRO CN(CCCN1CC[NH+](C)CC1)C(=O)c1cccc(Br)c1Cl ZINC000183934244 552323437 /nfs/dbraw/zinc/32/34/37/552323437.db2.gz YSIQSMUPVQGEGC-UHFFFAOYSA-N 1 0 388.737 2.812 20 0 GFADRO [NH3+]CC1(CC(=O)NCCNC(=O)c2ccc(Br)cc2)CCCCC1 ZINC000184163290 552328595 /nfs/dbraw/zinc/32/85/95/552328595.db2.gz SZZYOKICYXAOIQ-UHFFFAOYSA-N 1 0 396.329 2.594 20 0 GFADRO CN1CC[NH+](CCC(C)(C)NC(=O)CCc2ccccc2Br)CC1 ZINC000184188092 552329415 /nfs/dbraw/zinc/32/94/15/552329415.db2.gz OOCGSPXMOBHROM-UHFFFAOYSA-N 1 0 396.373 2.914 20 0 GFADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)c1ccc(Br)c(Cl)c1 ZINC000184367525 552334195 /nfs/dbraw/zinc/33/41/95/552334195.db2.gz BONMCSKDWMDAPL-LBPRGKRZSA-N 1 0 388.737 2.858 20 0 GFADRO NC(=O)[C@H]1CCCC[C@H]1[NH2+]Cc1nnc(-c2ccccc2Br)o1 ZINC000184835566 552345344 /nfs/dbraw/zinc/34/53/44/552345344.db2.gz PWYZPUXVUKBSPC-WCQYABFASA-N 1 0 379.258 2.633 20 0 GFADRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)S(=O)(=O)c1ccc(Br)cc1F ZINC000184913756 552347509 /nfs/dbraw/zinc/34/75/09/552347509.db2.gz UOLUANKAWHTOHG-GWCFXTLKSA-N 1 0 379.295 2.549 20 0 GFADRO [NH3+][C@H]1CC[C@H]2CN(C(=O)CCC[S@@](=O)c3ccc(Br)cc3)C[C@H]21 ZINC000184979720 552350427 /nfs/dbraw/zinc/35/04/27/552350427.db2.gz FFVNWNCTSDODSY-HEKGGQFHSA-N 1 0 399.354 2.533 20 0 GFADRO CC(C)OCC[NH+]1CCN(C[C@@H](O)c2ccc(F)c(Br)c2)CC1 ZINC000185016542 552351374 /nfs/dbraw/zinc/35/13/74/552351374.db2.gz XMMFHIGDMSKYMD-QGZVFWFLSA-N 1 0 389.309 2.664 20 0 GFADRO [NH3+][C@H]1CC[C@H]2CN(C(=O)c3nn(-c4ccc(F)cc4)cc3Br)C[C@H]21 ZINC000185061511 552352815 /nfs/dbraw/zinc/35/28/15/552352815.db2.gz AXMRSYMETNLBQE-ZBINZKHDSA-N 1 0 393.260 2.583 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@H](NS(=O)(=O)c2ccc(Br)cc2F)C1 ZINC000185062594 552352982 /nfs/dbraw/zinc/35/29/82/552352982.db2.gz FJYJILGVUOJMKJ-NWDGAFQWSA-N 1 0 379.295 2.739 20 0 GFADRO Cc1cc(Br)cc(C(=O)N2CC[NH+](CC3CCOCC3)CC2)c1 ZINC000185101885 552354158 /nfs/dbraw/zinc/35/41/58/552354158.db2.gz SOVLTYNXBKEJPS-UHFFFAOYSA-N 1 0 381.314 2.942 20 0 GFADRO Cc1c(C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cnn1-c1cccc(Br)c1 ZINC000185194384 552357036 /nfs/dbraw/zinc/35/70/36/552357036.db2.gz DZQJXEBETMAGPA-JCURWCKSSA-N 1 0 389.297 2.753 20 0 GFADRO Cc1cccc(NC(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)c1Br ZINC000185488535 552364329 /nfs/dbraw/zinc/36/43/29/552364329.db2.gz VAZWVPHWRMGGNT-AWEZNQCLSA-N 1 0 382.302 2.944 20 0 GFADRO C[C@@H]1C[NH+](CCCNC(=O)N2Cc3cccc(Br)c3C2)C[C@@H](C)O1 ZINC000185510116 552364604 /nfs/dbraw/zinc/36/46/04/552364604.db2.gz NNQGFADAKWYOOE-ZIAGYGMSSA-N 1 0 396.329 2.974 20 0 GFADRO CSc1ccc(S(=O)(=O)NCCCC[N@@H+]2CCC[C@H]2CO)cc1Cl ZINC000185717994 552369656 /nfs/dbraw/zinc/36/96/56/552369656.db2.gz SVUNNBLKJVEZTD-ZDUSSCGKSA-N 1 0 392.974 2.577 20 0 GFADRO C[C@@H](C[S@](C)=O)[NH2+]Cc1cc(Br)cc(Br)c1N ZINC000185897473 552373318 /nfs/dbraw/zinc/37/33/18/552373318.db2.gz ZTRXFGMILXONRX-SKLCBMLGSA-N 1 0 384.137 2.650 20 0 GFADRO CC[C@H]([NH2+]C[C@@H]1CCCN(S(C)(=O)=O)C1)c1nc(C(F)(F)F)cs1 ZINC000185923648 552374004 /nfs/dbraw/zinc/37/40/04/552374004.db2.gz DMZQPPRFOGXNBH-QWRGUYRKSA-N 1 0 385.477 2.874 20 0 GFADRO C[NH+](C)CCn1ccc(NC(=O)Nc2cccc(I)c2)n1 ZINC000186521911 552390186 /nfs/dbraw/zinc/39/01/86/552390186.db2.gz GTONVBJGKMSVNA-UHFFFAOYSA-N 1 0 399.236 2.693 20 0 GFADRO CC(=O)N[C@@H](CC(=O)N(C)CC[N@H+](C)C1CC1)c1ccc(Br)cc1 ZINC000186785908 552397670 /nfs/dbraw/zinc/39/76/70/552397670.db2.gz QSIITEJFLXBNJO-KRWDZBQOSA-N 1 0 396.329 2.569 20 0 GFADRO C[C@@H]1C[N@H+](CCCOc2cccc(I)c2)CC[C@@H]1O ZINC000186815399 552398558 /nfs/dbraw/zinc/39/85/58/552398558.db2.gz QGIOWROZPYEQPG-DOMZBBRYSA-N 1 0 375.250 2.763 20 0 GFADRO Cc1cc(C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@H]2C)c(C)cc1Br ZINC000186958152 552402544 /nfs/dbraw/zinc/40/25/44/552402544.db2.gz MQQZOWCUVHNJNK-CQSZACIVSA-N 1 0 383.330 2.983 20 0 GFADRO CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]CCCN1C[C@@H](C)O[C@H](C)C1 ZINC000187106843 552406701 /nfs/dbraw/zinc/40/67/01/552406701.db2.gz KNPAVNUHZSXPMJ-HUUCEWRRSA-N 1 0 388.961 2.723 20 0 GFADRO CCO[C@H]1C[C@]([NH3+])(C(=O)NCC(=O)Nc2cc(Cl)ccc2Cl)C1(C)C ZINC000187236285 552409741 /nfs/dbraw/zinc/40/97/41/552409741.db2.gz YDBQJWUMPZYXFZ-GUYCJALGSA-N 1 0 388.295 2.581 20 0 GFADRO C[C@@H]([NH2+][C@@H]1CCCN(c2ccccc2Cl)C1=O)C1CCS(=O)(=O)CC1 ZINC000187247018 552410581 /nfs/dbraw/zinc/41/05/81/552410581.db2.gz CNIDBSYFKUYAPI-CZUORRHYSA-N 1 0 384.929 2.638 20 0 GFADRO COc1c(Br)cccc1C[NH2+][C@H]1CCCN(c2cnn(C)c2)C1 ZINC000187265936 552411055 /nfs/dbraw/zinc/41/10/55/552411055.db2.gz JDGQEHHVLMRCRJ-AWEZNQCLSA-N 1 0 379.302 2.950 20 0 GFADRO C[C@H]([NH2+]CCc1nc(-c2cccc(Cl)c2)no1)C1CCS(=O)(=O)CC1 ZINC000187343836 552412637 /nfs/dbraw/zinc/41/26/37/552412637.db2.gz RJJJXORKFOPTOK-LBPRGKRZSA-N 1 0 383.901 2.735 20 0 GFADRO Cc1cc(Br)cc(S(=O)(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c1 ZINC000187523804 552417812 /nfs/dbraw/zinc/41/78/12/552417812.db2.gz CHIYFFHVJSBJCA-CZUORRHYSA-N 1 0 387.343 2.862 20 0 GFADRO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]Cc1cc(C(N)=O)co1 ZINC000187733175 552423171 /nfs/dbraw/zinc/42/31/71/552423171.db2.gz XOZWFUKSBXUIHK-SNVBAGLBSA-N 1 0 380.242 2.648 20 0 GFADRO COC[C@H]([NH2+]CCCNC(=O)c1cccc(Br)c1)C1CCOCC1 ZINC000187914222 552427889 /nfs/dbraw/zinc/42/78/89/552427889.db2.gz ZOQFCPCTJXFULD-KRWDZBQOSA-N 1 0 399.329 2.600 20 0 GFADRO C[C@H]1C[N@@H+](C2CCN(C(=O)Cc3ccc(F)cc3Br)CC2)CCO1 ZINC000188066642 552433596 /nfs/dbraw/zinc/43/35/96/552433596.db2.gz HXLSHMYQRVOQII-ZDUSSCGKSA-N 1 0 399.304 2.842 20 0 GFADRO CCOc1ccc(Br)cc1NC(=O)NCC[N@@H+]1CCCOCC1 ZINC000188101246 552435223 /nfs/dbraw/zinc/43/52/23/552435223.db2.gz SGCDDOKCRKPAAQ-UHFFFAOYSA-N 1 0 386.290 2.692 20 0 GFADRO CCO[C@@H](CC[NH+](C)C)CNC(=O)C1(c2ccccc2Br)CC1 ZINC000188152340 552436913 /nfs/dbraw/zinc/43/69/13/552436913.db2.gz MBMLEYHNEFCYJD-AWEZNQCLSA-N 1 0 383.330 2.954 20 0 GFADRO CC(=O)Nc1cc(F)c(S(=O)(=O)N[C@@H](CC(C)C)C[NH+](C)C)cc1Cl ZINC000188222220 552439593 /nfs/dbraw/zinc/43/95/93/552439593.db2.gz LSSQPDWTYULMMX-LBPRGKRZSA-N 1 0 393.912 2.692 20 0 GFADRO CCN(CCC[NH+]1CCCC1)S(=O)(=O)N(C)Cc1c(F)cccc1Cl ZINC000188262627 552440950 /nfs/dbraw/zinc/44/09/50/552440950.db2.gz DHRLXLSEXMRJNT-UHFFFAOYSA-N 1 0 391.940 2.964 20 0 GFADRO O=C(c1[nH]nc2c1C[NH2+]CC2)N(Cc1cccc(Br)c1)C1CC1 ZINC000188345878 552442905 /nfs/dbraw/zinc/44/29/05/552442905.db2.gz IUICHRNAPUTHRY-UHFFFAOYSA-N 1 0 375.270 2.623 20 0 GFADRO CCOc1cc(Br)ccc1NC(=O)NCC[N@@H+]1CCCOCC1 ZINC000188465292 552445534 /nfs/dbraw/zinc/44/55/34/552445534.db2.gz AQKYOIPVBHLOCZ-UHFFFAOYSA-N 1 0 386.290 2.692 20 0 GFADRO O=C(c1[nH]nc2c1C[NH2+]CC2)N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000188509583 552446632 /nfs/dbraw/zinc/44/66/32/552446632.db2.gz ZSNMQGGPRIBWJB-HNNXBMFYSA-N 1 0 381.263 2.576 20 0 GFADRO C[C@@H](Cc1ccc(Br)cc1)C(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000188680325 552452064 /nfs/dbraw/zinc/45/20/64/552452064.db2.gz UUDOSEVURMHXMK-LSDHHAIUSA-N 1 0 397.357 2.931 20 0 GFADRO O=C(N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1)c1cc(Br)c[nH]1 ZINC000189021134 552460930 /nfs/dbraw/zinc/46/09/30/552460930.db2.gz GHDBNPLOQHXSHN-NHYWBVRUSA-N 1 0 384.224 2.931 20 0 GFADRO O=S(=O)(CCO)c1ccc(C[NH2+][C@H]2CCSc3ccc(F)cc32)cc1 ZINC000189161670 552465216 /nfs/dbraw/zinc/46/52/16/552465216.db2.gz NTSHQGLQNKOEND-KRWDZBQOSA-N 1 0 381.494 2.918 20 0 GFADRO CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+]C[C@@H](O)CC(F)(F)F)cc1 ZINC000189343046 552469108 /nfs/dbraw/zinc/46/91/08/552469108.db2.gz CRNDMQCEVWHDNW-OCCSQVGLSA-N 1 0 382.448 2.681 20 0 GFADRO Cc1c(Br)c2ccccc2n1CC(=O)NCC[N@@H+]1CCCOCC1 ZINC000189438358 552471331 /nfs/dbraw/zinc/47/13/31/552471331.db2.gz KOGPQTISLFBWDI-UHFFFAOYSA-N 1 0 394.313 2.551 20 0 GFADRO CC[C@@H](Cc1ccccc1Br)C(=O)NCC[N@@H+]1CCCOCC1 ZINC000189461720 552471905 /nfs/dbraw/zinc/47/19/05/552471905.db2.gz AEMUIHPFDYKMJR-HNNXBMFYSA-N 1 0 383.330 2.856 20 0 GFADRO COc1cc(C[N@H+](C)CC2CC(O)C2)cc(I)c1OC ZINC000191156456 552520516 /nfs/dbraw/zinc/52/05/16/552520516.db2.gz LYDDWMDOKGGFHS-UHFFFAOYSA-N 1 0 391.249 2.511 20 0 GFADRO CS(=O)(=O)c1cc(NC(=O)NC2CC[NH+](CC3CC3)CC2)ccc1Cl ZINC000189872691 552481574 /nfs/dbraw/zinc/48/15/74/552481574.db2.gz VTCZJGQOBXHTJZ-UHFFFAOYSA-N 1 0 385.917 2.739 20 0 GFADRO C[NH+](C)CC1CCC(NC(=O)Nc2ccc(Cl)c(S(C)(=O)=O)c2)CC1 ZINC000189869584 552481682 /nfs/dbraw/zinc/48/16/82/552481682.db2.gz NMSZJTHVLPMAMH-UHFFFAOYSA-N 1 0 387.933 2.985 20 0 GFADRO C[C@@H](C(=O)Nc1cccc(Br)c1)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000189899989 552482374 /nfs/dbraw/zinc/48/23/74/552482374.db2.gz VHGBNWNQDNMFES-KGLIPLIRSA-N 1 0 398.345 2.553 20 0 GFADRO C[C@@H](C(=O)Nc1ccccc1Br)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000189933303 552483321 /nfs/dbraw/zinc/48/33/21/552483321.db2.gz TXKWWMZIXIRPSD-KBPBESRZSA-N 1 0 398.345 2.553 20 0 GFADRO Cc1cc(F)c(Br)cc1S(=O)(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000189960575 552483860 /nfs/dbraw/zinc/48/38/60/552483860.db2.gz HURPVLDWHLZWJN-NSHDSACASA-N 1 0 379.295 2.611 20 0 GFADRO CCOCCC[N@@H+]1CC[C@H](NCC(=O)NCc2ccc(Cl)s2)[C@H](C)C1 ZINC000190000695 552485130 /nfs/dbraw/zinc/48/51/30/552485130.db2.gz VCNSHXPPZJCDJH-ZBFHGGJFSA-N 1 0 387.977 2.744 20 0 GFADRO O=C(c1c[nH]nc1-c1ccc(Cl)s1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000190112789 552487664 /nfs/dbraw/zinc/48/76/64/552487664.db2.gz XHVIRMYLIGRDFA-GFCCVEGCSA-N 1 0 380.901 2.586 20 0 GFADRO C[C@@H]1CN(C(=O)Nc2ccc(F)cc2Br)CC[N@@H+]1CC(C)(C)O ZINC000190130534 552488217 /nfs/dbraw/zinc/48/82/17/552488217.db2.gz WZKANRCKKNLELC-LLVKDONJSA-N 1 0 388.281 2.897 20 0 GFADRO Cc1nn(C)c(N2CCOCC2)c1C[NH2+]Cc1cc(Br)ccc1C ZINC000190296112 552491963 /nfs/dbraw/zinc/49/19/63/552491963.db2.gz NFGKUZCWLFVYKW-UHFFFAOYSA-N 1 0 393.329 2.926 20 0 GFADRO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)Nc1cc(C)c(Br)c(C)c1 ZINC000190309059 552492392 /nfs/dbraw/zinc/49/23/92/552492392.db2.gz LPUZWOANAAWLIF-CYBMUJFWSA-N 1 0 384.318 2.851 20 0 GFADRO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1cc(Br)ccc1F ZINC000190359137 552493877 /nfs/dbraw/zinc/49/38/77/552493877.db2.gz HERVVVSUPGEYJP-CHWSQXEVSA-N 1 0 398.276 2.612 20 0 GFADRO COCCN(C)S(=O)(=O)[C@@H]1CCC[N@H+](Cc2cc3ccccc3s2)C1 ZINC000190371658 552494363 /nfs/dbraw/zinc/49/43/63/552494363.db2.gz FOMGCXAUUHJIHZ-QGZVFWFLSA-N 1 0 382.551 2.774 20 0 GFADRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)Nc1cc(Cl)c(F)c(Cl)c1 ZINC000190801872 552509587 /nfs/dbraw/zinc/50/95/87/552509587.db2.gz HGZYEQNWYIJKHV-JTQLQIEISA-N 1 0 376.259 2.871 20 0 GFADRO C[C@@H]1CC[C@H](C(=O)Nc2ccc(CN3CC[NH+](C)CC3)c(Br)c2)O1 ZINC000191084248 552518160 /nfs/dbraw/zinc/51/81/60/552518160.db2.gz AGUGJJOUYIVLSY-CXAGYDPISA-N 1 0 396.329 2.703 20 0 GFADRO Cn1cc(N2CC[C@@H]([NH2+]Cc3cc(Br)c(Cl)s3)C2=O)cn1 ZINC000191114768 552519043 /nfs/dbraw/zinc/51/90/43/552519043.db2.gz FVUYWTNMVNKXQM-LLVKDONJSA-N 1 0 389.706 2.793 20 0 GFADRO COc1cc(I)c(Cl)cc1C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000191341137 552525380 /nfs/dbraw/zinc/52/53/80/552525380.db2.gz IDCRZSJPXMJIDK-MRVPVSSYSA-N 1 0 394.640 2.517 20 0 GFADRO Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2S(C)(=O)=O)c(-n2cc(Cl)cn2)n1 ZINC000191531502 552530938 /nfs/dbraw/zinc/53/09/38/552530938.db2.gz RLDXXZRCPLDFPF-HZPDHXFCSA-N 1 0 382.917 2.675 20 0 GFADRO COC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1Cc1cnc2ccc(Br)cn12 ZINC000191678064 552534632 /nfs/dbraw/zinc/53/46/32/552534632.db2.gz FGILUOIPGOXYJY-WPGHFRTFSA-N 1 0 378.270 2.870 20 0 GFADRO CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2cc(Cl)c(Cl)cc2OC)C1 ZINC000191970161 552544363 /nfs/dbraw/zinc/54/43/63/552544363.db2.gz OMHYTIYMGULHLC-LLVKDONJSA-N 1 0 388.295 2.789 20 0 GFADRO COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000192004692 552545336 /nfs/dbraw/zinc/54/53/36/552545336.db2.gz YNNSLYMJNUJNSN-LLVKDONJSA-N 1 0 386.279 2.637 20 0 GFADRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)Nc1cc(Cl)c(Cl)cc1OC ZINC000192033557 552546781 /nfs/dbraw/zinc/54/67/81/552546781.db2.gz GVCFHSZZHYQINN-LLVKDONJSA-N 1 0 388.295 2.931 20 0 GFADRO C[C@@H]([NH3+])[C@H](C)C(=O)NCCSCCOc1cccc(Br)c1 ZINC000192048387 552547919 /nfs/dbraw/zinc/54/79/19/552547919.db2.gz RMKGWJGTDUWMHD-NWDGAFQWSA-N 1 0 375.332 2.661 20 0 GFADRO Cn1nc(Br)cc1C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000192098648 552550757 /nfs/dbraw/zinc/55/07/57/552550757.db2.gz YDPUILOJNMSDMI-LBPRGKRZSA-N 1 0 397.342 2.886 20 0 GFADRO COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000192194502 552555347 /nfs/dbraw/zinc/55/53/47/552555347.db2.gz XVDHAWXHOKKKJS-GHMZBOCLSA-N 1 0 388.295 2.882 20 0 GFADRO CC(C)[C@@](C)([NH2+]CC(=O)N[C@H](C)C(=O)N(C)C)c1ccc(Br)cc1 ZINC000192373062 552561445 /nfs/dbraw/zinc/56/14/45/552561445.db2.gz ILCMREGZAPATFY-FZKQIMNGSA-N 1 0 398.345 2.503 20 0 GFADRO CS(=O)(=O)NCCC[NH2+]Cc1ccc(-c2cccc(Br)c2)o1 ZINC000192584160 552567177 /nfs/dbraw/zinc/56/71/77/552567177.db2.gz XSSNDLVHMLFCTJ-UHFFFAOYSA-N 1 0 387.299 2.738 20 0 GFADRO COc1cc(Cl)c(S(=O)(=O)NCC(C)(C)[NH+]2CCCCC2)cc1OC ZINC000192802114 552973938 /nfs/dbraw/zinc/97/39/38/552973938.db2.gz PHBMPAHESBPBCR-UHFFFAOYSA-N 1 0 390.933 2.900 20 0 GFADRO CC[NH+](CC)C[C@H]1CCN(S(=O)(=O)c2cc(OC)c(OC)cc2Cl)C1 ZINC000192821108 552975066 /nfs/dbraw/zinc/97/50/66/552975066.db2.gz SMJJMCKBKKAUBP-CYBMUJFWSA-N 1 0 390.933 2.710 20 0 GFADRO C[C@H]([NH3+])C1CCN(S(=O)(=O)c2cc(Cl)c(Br)cc2F)CC1 ZINC000193260271 552987795 /nfs/dbraw/zinc/98/77/95/552987795.db2.gz JSIMPGMBDVAPNC-QMMMGPOBSA-N 1 0 399.713 2.990 20 0 GFADRO O=S(=O)(NC[C@@H]1CCC[NH2+]1)c1cc(Br)c(Cl)cc1Cl ZINC000193258052 552988081 /nfs/dbraw/zinc/98/80/81/552988081.db2.gz QOBPLCMGRRMLKH-ZETCQYMHSA-N 1 0 388.114 2.786 20 0 GFADRO Cc1cc(F)c(Br)cc1S(=O)(=O)N1CCC([C@@H](C)[NH3+])CC1 ZINC000193259883 552988104 /nfs/dbraw/zinc/98/81/04/552988104.db2.gz QTLHIZYJPUXGGB-SNVBAGLBSA-N 1 0 379.295 2.645 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CCCN(S(=O)(=O)c2cc(Cl)c(Br)cc2F)C1 ZINC000193285045 552988766 /nfs/dbraw/zinc/98/87/66/552988766.db2.gz LRADOSNHDYOBLC-RKDXNWHRSA-N 1 0 399.713 2.990 20 0 GFADRO Cc1cc(Br)ccc1S(=O)(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000193428988 552992936 /nfs/dbraw/zinc/99/29/36/552992936.db2.gz LQFXDRVPPMIBIH-UHFFFAOYSA-N 1 0 381.295 2.839 20 0 GFADRO [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)CCSc1ccccc1Cl ZINC000193668754 552999705 /nfs/dbraw/zinc/99/97/05/552999705.db2.gz CIUCRZXWBXTHIM-AWEZNQCLSA-N 1 0 383.945 2.668 20 0 GFADRO CCS(=O)(=O)N(C)CCC[NH2+][C@@H]1CCc2ccc(Br)cc21 ZINC000193975748 553008862 /nfs/dbraw/zinc/00/88/62/553008862.db2.gz OXWXLPPHSOFGNA-OAHLLOKOSA-N 1 0 375.332 2.698 20 0 GFADRO O=C(COc1ccc(Br)cc1F)NC1CC[NH+](CC2CC2)CC1 ZINC000194221489 553015476 /nfs/dbraw/zinc/01/54/76/553015476.db2.gz WAVAKVKYCWTHRG-UHFFFAOYSA-N 1 0 385.277 2.958 20 0 GFADRO O=C1CNC(=O)N1CC[NH2+][C@@H](c1ccccc1)c1ccc(Br)cc1 ZINC000194473718 553021923 /nfs/dbraw/zinc/02/19/23/553021923.db2.gz WIRZCDCMQVWDRU-KRWDZBQOSA-N 1 0 388.265 2.680 20 0 GFADRO [NH3+]CCN(Cc1ccccc1)S(=O)(=O)c1ccc(F)c(C(F)(F)F)c1 ZINC000194747415 553028522 /nfs/dbraw/zinc/02/85/22/553028522.db2.gz JSUDCDSKILLNGF-UHFFFAOYSA-N 1 0 376.375 2.994 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)c2cc(Cl)ccc2I)C1 ZINC000226544028 553061359 /nfs/dbraw/zinc/06/13/59/553061359.db2.gz NNSYVSXVUOZBHO-BDAKNGLRSA-N 1 0 378.641 2.754 20 0 GFADRO COCC[NH+]1CCC(NC(=O)[C@H]2C[C@H]2c2ccc(Br)cc2)CC1 ZINC000195356467 553046262 /nfs/dbraw/zinc/04/62/62/553046262.db2.gz QZXVKTQBUQLGGP-IRXDYDNUSA-N 1 0 381.314 2.780 20 0 GFADRO COC[C@@H](CCO)[NH2+]Cc1cc(Br)c(OC)c(Br)c1 ZINC000219145679 553054344 /nfs/dbraw/zinc/05/43/44/553054344.db2.gz KINARSPRPBDNLK-SNVBAGLBSA-N 1 0 397.107 2.707 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(F)cc1I ZINC000223543675 553056894 /nfs/dbraw/zinc/05/68/94/553056894.db2.gz ZSIRARULHSZLAN-VXGBXAGGSA-N 1 0 388.224 2.787 20 0 GFADRO COc1c(Br)cc(C[NH2+]C[C@@H](O)C(F)F)cc1Br ZINC000226575754 553062063 /nfs/dbraw/zinc/06/20/63/553062063.db2.gz KTOKIOHUIBNFDN-SECBINFHSA-N 1 0 389.034 2.936 20 0 GFADRO CC[NH+](CC)[C@@H]1CCN(C(=O)c2ccc(I)c(O)c2)C1 ZINC000230899953 553065929 /nfs/dbraw/zinc/06/59/29/553065929.db2.gz YAGDKWLIZUFJPN-GFCCVEGCSA-N 1 0 388.249 2.553 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)c2ccc(I)c(Cl)c2)CC[NH2+]1 ZINC000235391973 553067975 /nfs/dbraw/zinc/06/79/75/553067975.db2.gz YTCFAUNXDZQGTJ-SCZZXKLOSA-N 1 0 378.641 2.815 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)c2ccc(I)c(Cl)c2)CC[NH2+]1 ZINC000235445606 553068486 /nfs/dbraw/zinc/06/84/86/553068486.db2.gz YTCFAUNXDZQGTJ-PSASIEDQSA-N 1 0 378.641 2.815 20 0 GFADRO O=C(Cc1csc(-c2cccc(Br)c2)n1)N[C@H]1CCC[NH2+]C1 ZINC000236580594 553069004 /nfs/dbraw/zinc/06/90/04/553069004.db2.gz ZEYZSNDYDVJWAR-ZDUSSCGKSA-N 1 0 380.311 2.983 20 0 GFADRO CC(C)([NH3+])CNC(=O)Cc1ccc(NC(=O)c2ccc(Br)o2)cc1 ZINC000236608715 553069914 /nfs/dbraw/zinc/06/99/14/553069914.db2.gz UDWKVOBSTUMDGT-UHFFFAOYSA-N 1 0 394.269 2.690 20 0 GFADRO CC(C)C[C@@](C)(C[NH3+])NC(=O)c1cc(=O)[nH]c2c(Br)cccc12 ZINC000236695029 553070332 /nfs/dbraw/zinc/07/03/32/553070332.db2.gz AVXFMKUZRDDJIM-KRWDZBQOSA-N 1 0 380.286 2.784 20 0 GFADRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)[C@@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000236767412 553071074 /nfs/dbraw/zinc/07/10/74/553071074.db2.gz ILCYJFWNNSUVKM-HIFRSBDPSA-N 1 0 396.329 2.634 20 0 GFADRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000236758834 553071142 /nfs/dbraw/zinc/07/11/42/553071142.db2.gz BWUOSPNAMAADFE-HOTGVXAUSA-N 1 0 396.329 2.634 20 0 GFADRO CCC(CC)(C[NH3+])C(=O)Nc1ncn(Cc2cccc(Br)c2)n1 ZINC000236727953 553071182 /nfs/dbraw/zinc/07/11/82/553071182.db2.gz JRDWVEJHLXZPAO-UHFFFAOYSA-N 1 0 380.290 2.793 20 0 GFADRO CCC([NH3+])(CC)CNC(=O)c1ccc(OC)cc1I ZINC000236812805 553071628 /nfs/dbraw/zinc/07/16/28/553071628.db2.gz KCWUYRPNYNBHQD-UHFFFAOYSA-N 1 0 376.238 2.547 20 0 GFADRO CCOc1cc(Br)c(CC(=O)N2CCC[C@H]2C[NH3+])cc1OCC ZINC000236878882 553072936 /nfs/dbraw/zinc/07/29/36/553072936.db2.gz NNZRAEHSORBHMK-ZDUSSCGKSA-N 1 0 385.302 2.739 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000237093620 553074170 /nfs/dbraw/zinc/07/41/70/553074170.db2.gz YQTUIFQKIWVKMA-OCCSQVGLSA-N 1 0 382.302 2.672 20 0 GFADRO C[NH2+]C[C@H]1CCCN(C(=O)c2cnn(-c3ccc(Br)cc3)c2)C1 ZINC000237084064 553074345 /nfs/dbraw/zinc/07/43/45/553074345.db2.gz IDLOSGLZLRCPCV-CYBMUJFWSA-N 1 0 377.286 2.706 20 0 GFADRO COc1ccc(Br)cc1C(=O)CCC(=O)N[C@@](C)(C[NH3+])C1CC1 ZINC000237111444 553074913 /nfs/dbraw/zinc/07/49/13/553074913.db2.gz QJVUBHWQNDAVON-KRWDZBQOSA-N 1 0 383.286 2.664 20 0 GFADRO C[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC000237321501 553076403 /nfs/dbraw/zinc/07/64/03/553076403.db2.gz GKSCDBUFPWOZHI-NSHDSACASA-N 1 0 382.295 2.870 20 0 GFADRO C[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)C1 ZINC000237336504 553077140 /nfs/dbraw/zinc/07/71/40/553077140.db2.gz BAHBQLRPMLBHQV-OCCSQVGLSA-N 1 0 384.307 2.804 20 0 GFADRO C[C@@H]1C[C@H]([NH3+])CCN1C(=O)c1cc(F)c(F)cc1I ZINC000237409137 553077546 /nfs/dbraw/zinc/07/75/46/553077546.db2.gz MKJWQWDFYNJMEF-HTQZYQBOSA-N 1 0 380.176 2.521 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)C1(C[NH3+])CCCC1 ZINC000237556725 553078650 /nfs/dbraw/zinc/07/86/50/553078650.db2.gz QMYBTBAWOPACNK-UHFFFAOYSA-N 1 0 382.302 2.721 20 0 GFADRO C[C@@]1(C(=O)N2CCC(C(=O)Nc3ccc(Br)cc3)CC2)CC[NH2+]C1 ZINC000237538944 553078792 /nfs/dbraw/zinc/07/87/92/553078792.db2.gz CTGATZCPVRQGMJ-GOSISDBHSA-N 1 0 394.313 2.626 20 0 GFADRO Cc1nn(Cc2cccc(Br)c2)c(C)c1C(=O)NC[C@H](C)C[NH3+] ZINC000237573071 553079383 /nfs/dbraw/zinc/07/93/83/553079383.db2.gz GJXYDGUNHIICMJ-LLVKDONJSA-N 1 0 379.302 2.635 20 0 GFADRO O=C(NCCOc1ncc(C(F)(F)F)cc1Cl)[C@@H]1CC12CC[NH2+]CC2 ZINC000237708493 553080431 /nfs/dbraw/zinc/08/04/31/553080431.db2.gz ZTRNDGCOEKLYBG-NSHDSACASA-N 1 0 377.794 2.639 20 0 GFADRO O=C(NCCN1CC[NH2+]CC1)c1csc(-c2ccc(Cl)cc2Cl)n1 ZINC000237812434 553082231 /nfs/dbraw/zinc/08/22/31/553082231.db2.gz AWYTYTIYGYKCNH-UHFFFAOYSA-N 1 0 385.320 2.752 20 0 GFADRO O=C(NC[C@@H]1CCCN(C(=O)c2cc(Cl)cc(Cl)c2)C1)[C@H]1CCC[NH2+]1 ZINC000237833724 553082800 /nfs/dbraw/zinc/08/28/00/553082800.db2.gz JVKUXVFNPYVIDW-BLLLJJGKSA-N 1 0 384.307 2.714 20 0 GFADRO [NH3+]CCCC(=O)N1CCC[C@H]1c1nc(Cc2ccc(Br)cc2)no1 ZINC000237896206 553083266 /nfs/dbraw/zinc/08/32/66/553083266.db2.gz RVRFRMQXTYZEKJ-AWEZNQCLSA-N 1 0 393.285 2.825 20 0 GFADRO [NH3+]C1(C(=O)N2CCN(C(=O)c3cccc(Cl)c3Cl)CC2)CCCCC1 ZINC000237891438 553083445 /nfs/dbraw/zinc/08/34/45/553083445.db2.gz QNMYLMGBGPULQR-UHFFFAOYSA-N 1 0 384.307 2.939 20 0 GFADRO [NH3+][C@@H]1CCC[C@H](C(=O)NC[C@@H]2CCN(c3ccc(Br)cc3)C2)C1 ZINC000237898116 553083522 /nfs/dbraw/zinc/08/35/22/553083522.db2.gz VHKJCNSEPPHAOF-OFQRWUPVSA-N 1 0 380.330 2.909 20 0 GFADRO [NH3+]C1(C(=O)NC2CCN(Cc3ccc(Br)cc3)CC2)CCCC1 ZINC000237907049 553084185 /nfs/dbraw/zinc/08/41/85/553084185.db2.gz ILHFPOYLVBSBCF-UHFFFAOYSA-N 1 0 380.330 2.801 20 0 GFADRO [NH3+]C[C@H]1CCCC[C@H]1NC(=O)c1cc(=O)[nH]c2c(Br)cccc12 ZINC000238015684 553085316 /nfs/dbraw/zinc/08/53/16/553085316.db2.gz FYITWUJMGLKHAN-QMTHXVAHSA-N 1 0 378.270 2.538 20 0 GFADRO C[C@H](NC(=O)CN(C)[C@H]1CCCC[C@@H]1S(C)(=O)=O)c1ccccc1Cl ZINC000245421818 553090228 /nfs/dbraw/zinc/09/02/28/553090228.db2.gz IEGXTGVLPGFIAG-JQFCIGGWSA-N 1 0 386.945 2.805 20 0 GFADRO C[C@@H]1C[NH+](CCCNC(=O)[C@H]2COc3ccc(Br)cc32)C[C@@H](C)O1 ZINC000245586845 553093274 /nfs/dbraw/zinc/09/32/74/553093274.db2.gz FDDHZOGJIRVWKV-IOASZLSFSA-N 1 0 397.313 2.541 20 0 GFADRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)c2cc(S(C)(=O)=O)cs2)C1 ZINC000245572915 553093542 /nfs/dbraw/zinc/09/35/42/553093542.db2.gz HBSCNYZQQCDVQY-LSDHHAIUSA-N 1 0 384.567 2.878 20 0 GFADRO C[NH+](C)[C@H]1CCCN(C[C@@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000245817890 553097710 /nfs/dbraw/zinc/09/77/10/553097710.db2.gz SUHIQWSPLDVETM-UONOGXRCSA-N 1 0 391.737 2.868 20 0 GFADRO CCC[C@@H]1CN(C[C@@H](O)c2cccc(Br)c2)CC[N@@H+]1CCOC ZINC000245961619 553100386 /nfs/dbraw/zinc/10/03/86/553100386.db2.gz UXOHCDLEKUIDGS-QZTJIDSGSA-N 1 0 385.346 2.915 20 0 GFADRO C[N@H+](C[C@@H](O)COc1ccccc1F)[C@H](CO)c1cccc(Br)c1 ZINC000245971967 553100426 /nfs/dbraw/zinc/10/04/26/553100426.db2.gz WNCYJLSKVKGALL-NVXWUHKLSA-N 1 0 398.272 2.993 20 0 GFADRO CN(Cc1c(F)cccc1Cl)S(=O)(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246124442 553102930 /nfs/dbraw/zinc/10/29/30/553102930.db2.gz AOJJNNYDSHUCQR-AWEZNQCLSA-N 1 0 389.924 2.573 20 0 GFADRO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)CSCc1cscn1 ZINC000246160064 553103199 /nfs/dbraw/zinc/10/31/99/553103199.db2.gz XETGZBJDFJCNOG-WMLDXEAASA-N 1 0 376.551 2.798 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2ccc(Br)s2)[C@@H](C)C1 ZINC000246257903 553105043 /nfs/dbraw/zinc/10/50/43/553105043.db2.gz TZHFVDLYBYDSSO-WDEREUQCSA-N 1 0 381.361 2.861 20 0 GFADRO C[C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246510899 553109556 /nfs/dbraw/zinc/10/95/56/553109556.db2.gz BIBQMRYXGSSBHU-KGLIPLIRSA-N 1 0 386.323 2.975 20 0 GFADRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2cccc(I)c2)C1 ZINC000246591172 553109812 /nfs/dbraw/zinc/10/98/12/553109812.db2.gz INEMLAYUVWPGAV-DZGCQCFKSA-N 1 0 384.261 2.848 20 0 GFADRO CCN(C[C@H](O)Cc1ccccc1C(F)(F)F)[C@H](C)CS(=O)(=O)CC ZINC000246620652 553110732 /nfs/dbraw/zinc/11/07/32/553110732.db2.gz IJWARVQEEWGNJA-UKRRQHHQSA-N 1 0 381.460 2.754 20 0 GFADRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)NCCOc1cccc(Br)c1 ZINC000246739672 553112703 /nfs/dbraw/zinc/11/27/03/553112703.db2.gz YJDFKQWZBFPNIU-XJKSGUPXSA-N 1 0 384.318 2.810 20 0 GFADRO C[C@H]1CCC[N@H+](CCNC(=O)N[C@H](CO)c2cccc(Br)c2)C1 ZINC000246955121 553116022 /nfs/dbraw/zinc/11/60/22/553116022.db2.gz NZVAOUPCFNHZRC-XJKSGUPXSA-N 1 0 384.318 2.514 20 0 GFADRO C[N@@H+]1CCC[C@H](CNC(=O)[C@]23CCC(=O)N2c2cc(Cl)ccc2S3)C1 ZINC000247056898 553117957 /nfs/dbraw/zinc/11/79/57/553117957.db2.gz GPNCVANOBDKWTA-KZULUSFZSA-N 1 0 379.913 2.727 20 0 GFADRO CCOCCC[N@@H+]1CC[C@H](NS(=O)(=O)c2ccc(Cl)cc2F)[C@@H](C)C1 ZINC000247050188 553118070 /nfs/dbraw/zinc/11/80/70/553118070.db2.gz AUQXHYPRMMKSPV-BBRMVZONSA-N 1 0 392.924 2.894 20 0 GFADRO COc1cc(C(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)cc(OC)c1Br ZINC000247488169 553122664 /nfs/dbraw/zinc/12/26/64/553122664.db2.gz WSBHXPWYFYULEU-WCQYABFASA-N 1 0 385.302 2.925 20 0 GFADRO C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000247550085 553123774 /nfs/dbraw/zinc/12/37/74/553123774.db2.gz ZEOALPSUQQFMRK-AGIUHOORSA-N 1 0 384.307 2.807 20 0 GFADRO COc1ccc(Br)cc1CC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000247946595 553126278 /nfs/dbraw/zinc/12/62/78/553126278.db2.gz DOAJXRZUBLUIIP-XJKSGUPXSA-N 1 0 381.314 2.943 20 0 GFADRO C[C@H](Cn1cc(Br)cn1)[NH2+][C@@H]1CCN(Cc2ccccn2)C[C@@H]1C ZINC000247959798 553126755 /nfs/dbraw/zinc/12/67/55/553126755.db2.gz GBQNAUFNOSQHMK-HDMKZQKVSA-N 1 0 392.345 2.929 20 0 GFADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3cc4c(c(Br)c3)OCO4)CC[C@H]21 ZINC000247986065 553127331 /nfs/dbraw/zinc/12/73/31/553127331.db2.gz IVDHYZRDDXSMAH-BXUZGUMPSA-N 1 0 381.270 2.734 20 0 GFADRO Cc1cc(NC(=O)C(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc(C)c1Br ZINC000248659858 553132671 /nfs/dbraw/zinc/13/26/71/553132671.db2.gz HDJUNTPKOLXVSI-ZFWWWQNUSA-N 1 0 396.329 2.946 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2Cc3cc(Br)ccc3O2)[C@@H](C)C1 ZINC000248713386 553133790 /nfs/dbraw/zinc/13/37/90/553133790.db2.gz DGYZAFZKFPCYJU-YLQAJVPDSA-N 1 0 381.314 2.941 20 0 GFADRO C[C@@H]1CCCN1S(=O)(=O)NC[C@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000248708832 553133936 /nfs/dbraw/zinc/13/39/36/553133936.db2.gz MKBTVVQBGRDFPV-MRRJBJDNSA-N 1 0 389.924 2.791 20 0 GFADRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccsc2Cl)[C@@H](C)C1 ZINC000249084272 553138798 /nfs/dbraw/zinc/13/87/98/553138798.db2.gz BFKRNBJDMQAWRH-QWHCGFSZSA-N 1 0 387.933 2.593 20 0 GFADRO Cc1cc(Br)cc(S(=O)(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000249098663 553138949 /nfs/dbraw/zinc/13/89/49/553138949.db2.gz ZINAYUDXGDHQDQ-JSGCOSHPSA-N 1 0 375.332 2.861 20 0 GFADRO COC(=O)[C@@H]1CC[N@H+](CCC(=O)Nc2cccc(Br)c2)C[C@@H]1C ZINC000249124038 553139720 /nfs/dbraw/zinc/13/97/20/553139720.db2.gz TYPXPLGBBWGGQD-SWLSCSKDSA-N 1 0 383.286 2.909 20 0 GFADRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000249430415 553142829 /nfs/dbraw/zinc/14/28/29/553142829.db2.gz YYEFRPGVZAYRFE-XOKHGSTOSA-N 1 0 395.341 2.856 20 0 GFADRO CC[N@H+](C[C@@H](O)COc1cc(Cl)ccc1Cl)C[C@@H](O)C(F)(F)F ZINC000249488316 553143690 /nfs/dbraw/zinc/14/36/90/553143690.db2.gz XRWAFTQDAZAJEG-ZWNOBZJWSA-N 1 0 376.202 2.978 20 0 GFADRO CC[C@@H](Cc1ccccc1Br)[N@H+](C)CC(=O)NC[C@H]1CCCO1 ZINC000249490008 553143828 /nfs/dbraw/zinc/14/38/28/553143828.db2.gz ZFSMMPLSGYEECU-JKSUJKDBSA-N 1 0 383.330 2.997 20 0 GFADRO C[C@H](CC(=O)Nc1ccc(Br)cc1)[N@H+](C)[C@H](C)C[S@@](C)=O ZINC000251673139 553148733 /nfs/dbraw/zinc/14/87/33/553148733.db2.gz MDSDAXHTTMXTGM-JWCBKOKGSA-N 1 0 375.332 2.865 20 0 GFADRO C[N@@H+]1CC[C@H](NC(=O)c2c[nH]c(=O)c(Br)c2)[C@H]1c1ccccc1 ZINC000253556037 553151475 /nfs/dbraw/zinc/15/14/75/553151475.db2.gz ALFRFKOJBNKGRI-LSDHHAIUSA-N 1 0 376.254 2.725 20 0 GFADRO O=C(c1cc(Cl)ccc1I)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000261605282 553153974 /nfs/dbraw/zinc/15/39/74/553153974.db2.gz RHIGHBSGRPEEKW-ZANVPECISA-N 1 0 390.652 2.769 20 0 GFADRO O=C(c1ccc2cc(Br)ccc2c1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000261604751 553154139 /nfs/dbraw/zinc/15/41/39/553154139.db2.gz CKXRNTXUSPWSSP-SFHVURJKSA-N 1 0 388.309 2.722 20 0 GFADRO Cc1cc(Br)cc(S(=O)(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)c1 ZINC000261647572 553155396 /nfs/dbraw/zinc/15/53/96/553155396.db2.gz GYQDMIJALHCJGX-DLBZAZTESA-N 1 0 395.322 2.873 20 0 GFADRO CO[C@H]1CCN(S(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)[C@@H](C[NH3+])C1 ZINC000261641355 553155417 /nfs/dbraw/zinc/15/54/17/553155417.db2.gz ACPQUZOGCCTHRL-ZJUUUORDSA-N 1 0 387.716 2.774 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000261731325 553157503 /nfs/dbraw/zinc/15/75/03/553157503.db2.gz CUISXUIHPUUSNQ-KDOFPFPSSA-N 1 0 384.567 2.548 20 0 GFADRO O=C(CC[C@H]1CC[NH2+]C1)NC[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000261771182 553158478 /nfs/dbraw/zinc/15/84/78/553158478.db2.gz ISYKLKLGHWJURO-GJZGRUSLSA-N 1 0 380.330 2.781 20 0 GFADRO [NH3+]C[C@H]1CCC[C@H]1C(=O)NC[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000261763196 553158536 /nfs/dbraw/zinc/15/85/36/553158536.db2.gz NTBJVRFSEPNMNB-CKEIUWERSA-N 1 0 380.330 2.767 20 0 GFADRO C[C@@H]1CCCN(S(=O)(=O)c2c(Cl)cccc2Br)[C@@H]1C[NH3+] ZINC000261776288 553159047 /nfs/dbraw/zinc/15/90/47/553159047.db2.gz PEAJREYGJCTROB-BXKDBHETSA-N 1 0 381.723 2.850 20 0 GFADRO C[C@H](CNC(=O)[C@@H]([NH3+])C1CCOCC1)Sc1ccc(Br)cc1 ZINC000261805657 553160022 /nfs/dbraw/zinc/16/00/22/553160022.db2.gz OKXBDMVTMGEGNW-ABAIWWIYSA-N 1 0 387.343 2.800 20 0 GFADRO C[NH2+]C[C@@H]1CCCN(S(=O)(=O)c2c(Cl)cccc2Br)C1 ZINC000261823057 553160438 /nfs/dbraw/zinc/16/04/38/553160438.db2.gz UEBHNTRKWUIBPY-JTQLQIEISA-N 1 0 381.723 2.723 20 0 GFADRO C[C@@]([NH3+])(C(=O)N[C@H]1CCCc2[nH]c(=O)ccc21)c1ccc(Br)cc1 ZINC000261837303 553160442 /nfs/dbraw/zinc/16/04/42/553160442.db2.gz UPNKRXYGUJMETR-YJBOKZPZSA-N 1 0 390.281 2.917 20 0 GFADRO Cn1ncc2c1CCC[C@H]2NC(=O)[C@@](C)([NH3+])c1ccc(Br)cc1 ZINC000261851834 553160921 /nfs/dbraw/zinc/16/09/21/553160921.db2.gz VVFBKVSEEBICAN-PBHICJAKSA-N 1 0 377.286 2.550 20 0 GFADRO Cn1ncc2c1CCC[C@@H]2NC(=O)[C@](C)([NH3+])c1ccc(Br)cc1 ZINC000261851838 553161129 /nfs/dbraw/zinc/16/11/29/553161129.db2.gz VVFBKVSEEBICAN-WMLDXEAASA-N 1 0 377.286 2.550 20 0 GFADRO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000261890966 553162277 /nfs/dbraw/zinc/16/22/77/553162277.db2.gz VIEPMYNNOAVHMS-GZBFAFLISA-N 1 0 390.933 2.644 20 0 GFADRO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N1CCCC[C@H]1[C@H](C)[NH3+] ZINC000261890970 553162279 /nfs/dbraw/zinc/16/22/79/553162279.db2.gz VIEPMYNNOAVHMS-YDHLFZDLSA-N 1 0 390.933 2.644 20 0 GFADRO COc1ccc(Br)cc1C(=O)CCC(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000262004716 553164023 /nfs/dbraw/zinc/16/40/23/553164023.db2.gz NRNRYJKJQZDBHR-KRWDZBQOSA-N 1 0 383.286 2.618 20 0 GFADRO CCSCc1ccc(C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)cc1 ZINC000261986022 553164061 /nfs/dbraw/zinc/16/40/61/553164061.db2.gz MLQFNTIAWNNXCH-HNNXBMFYSA-N 1 0 375.460 2.506 20 0 GFADRO CCCN([C@@H]1CC[NH2+]C1)S(=O)(=O)c1cccc(Br)c1Cl ZINC000261998879 553164067 /nfs/dbraw/zinc/16/40/67/553164067.db2.gz FYYVXOOOJUFLCQ-SNVBAGLBSA-N 1 0 381.723 2.865 20 0 GFADRO C[NH2+]C[C@@H]1CCCN(S(=O)(=O)c2cccc(Br)c2Cl)C1 ZINC000261975975 553164170 /nfs/dbraw/zinc/16/41/70/553164170.db2.gz BXZXDVIFZUSYMG-JTQLQIEISA-N 1 0 381.723 2.723 20 0 GFADRO O=C(CCc1ccc(Cl)c(Cl)c1)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000262196986 553167618 /nfs/dbraw/zinc/16/76/18/553167618.db2.gz ZYUAFYBHVRJJBM-AWEZNQCLSA-N 1 0 398.256 2.878 20 0 GFADRO COC[C@@H]([NH3+])C(=O)Nc1cc(C)nn1-c1cc(C(F)(F)F)ccc1Cl ZINC000262296913 553168663 /nfs/dbraw/zinc/16/86/63/553168663.db2.gz ZJLCKQWCCYWMDT-LLVKDONJSA-N 1 0 376.766 2.765 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CNC(=O)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000262316152 553169294 /nfs/dbraw/zinc/16/92/94/553169294.db2.gz CHPIQGDAWMLKAV-SCLBCKFNSA-N 1 0 394.313 2.592 20 0 GFADRO C[C@H](CNC(=O)C1(C[NH3+])CCOCC1)Sc1ccc(Br)cc1 ZINC000262374125 553169714 /nfs/dbraw/zinc/16/97/14/553169714.db2.gz WMPHCVJJXHOEKG-GFCCVEGCSA-N 1 0 387.343 2.801 20 0 GFADRO C[C@H]1C[C@@H](C(=O)NC[C@H]2CCN(c3cccc(Br)c3)C2)CC[NH2+]1 ZINC000262353866 553169746 /nfs/dbraw/zinc/16/97/46/553169746.db2.gz HTFPJMNBDDSQBU-ZNMIVQPWSA-N 1 0 380.330 2.780 20 0 GFADRO CN(C)c1ncc(Br)cc1C(=O)NC[C@H]1[NH2+]CCc2ccccc21 ZINC000262473681 553171378 /nfs/dbraw/zinc/17/13/78/553171378.db2.gz YNPQNGIFIQVVRL-MRXNPFEDSA-N 1 0 389.297 2.527 20 0 GFADRO C[C@H](NC(=O)[C@@H](C)C1C[NH2+]C1)c1nc(-c2ccc(Br)cc2)no1 ZINC000262560001 553172624 /nfs/dbraw/zinc/17/26/24/553172624.db2.gz QMVKFOOUCRMMPP-UWVGGRQHSA-N 1 0 379.258 2.532 20 0 GFADRO CC(C)Sc1ccc([C@H](C)NC(=O)C2(S(C)(=O)=O)CC[NH2+]CC2)cc1 ZINC000262611545 553172982 /nfs/dbraw/zinc/17/29/82/553172982.db2.gz YQINRXWSEUMVSZ-AWEZNQCLSA-N 1 0 384.567 2.531 20 0 GFADRO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)N(C)CC(C)(C)C[NH3+] ZINC000262594678 553173123 /nfs/dbraw/zinc/17/31/23/553173123.db2.gz WXNFWCKWCJGUES-UHFFFAOYSA-N 1 0 381.270 2.921 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2Br)C1 ZINC000262743242 553174635 /nfs/dbraw/zinc/17/46/35/553174635.db2.gz CVSWZSFFPNCLRB-ZJUUUORDSA-N 1 0 381.723 2.850 20 0 GFADRO CC(=O)N[C@H](CC(=O)N1CCCC[C@@H]1[C@H](C)[NH3+])c1ccc(Br)cc1 ZINC000262760917 553175196 /nfs/dbraw/zinc/17/51/96/553175196.db2.gz QSCNNYVXZYAMKI-JCURWCKSSA-N 1 0 396.329 2.745 20 0 GFADRO COc1cc(Br)c(S(=O)(=O)N[C@@H]2CC[NH2+][C@H](C)C2)cc1Cl ZINC000262825593 553176861 /nfs/dbraw/zinc/17/68/61/553176861.db2.gz YFJPIADMSQTEQO-RKDXNWHRSA-N 1 0 397.722 2.530 20 0 GFADRO COc1ccc(Br)cc1CNC(=O)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000262873035 553177903 /nfs/dbraw/zinc/17/79/03/553177903.db2.gz XYTBYFNUMADDCI-AWEZNQCLSA-N 1 0 393.285 2.509 20 0 GFADRO CO[C@@H](C[NH3+])CC(=O)N1CCCC[C@H]1C(=O)Nc1ccc(Cl)cc1Cl ZINC000262907009 553178225 /nfs/dbraw/zinc/17/82/25/553178225.db2.gz QGHDBXNDAGSTJD-DOMZBBRYSA-N 1 0 388.295 2.677 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)[C@@H]1CCCC[C@]1(C)[NH3+] ZINC000262906320 553178395 /nfs/dbraw/zinc/17/83/95/553178395.db2.gz FGBFWVXAWJLCHE-GUYCJALGSA-N 1 0 382.302 2.720 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)c2nn(-c3ccc(F)cc3)cc2Br)CC[NH2+]1 ZINC000262923739 553178782 /nfs/dbraw/zinc/17/87/82/553178782.db2.gz RYUYJXWRTIROJY-ZYHUDNBSSA-N 1 0 381.249 2.644 20 0 GFADRO CC[C@@H](C)[C@@H](NC(=O)C[NH2+][C@@H](C)c1ccc(Br)s1)C(=O)OC ZINC000444763797 563836957 /nfs/dbraw/zinc/83/69/57/563836957.db2.gz VLRKDEMIRUCKOI-ISTVAULSSA-N 1 0 391.331 2.865 20 0 GFADRO CNC(=O)C[C@@H](C)[NH2+]Cc1cc(Br)c(OC(F)F)c(OC)c1 ZINC000449604216 564192418 /nfs/dbraw/zinc/19/24/18/564192418.db2.gz STYFHUDREZMPEP-MRVPVSSYSA-N 1 0 381.217 2.673 20 0 GFADRO CC(C)NC(=O)C[N@@H+]1CC[C@H](Cc2cccc(I)c2)C1 ZINC000451196568 564285366 /nfs/dbraw/zinc/28/53/66/564285366.db2.gz WZZHXNREZPKFTQ-CQSZACIVSA-N 1 0 386.277 2.680 20 0 GFADRO Cc1csc(C(=O)N(C2CC2)[C@H]2CC[NH2+]C2)c1I ZINC000566099380 564309624 /nfs/dbraw/zinc/30/96/24/564309624.db2.gz AQAOPXNVBHOYIO-JTQLQIEISA-N 1 0 376.263 2.628 20 0 GFADRO Cc1cc(Br)c(C(=O)NC[C@H]2CCC[N@@H+]2CCCO)cc1Cl ZINC000452358115 564408090 /nfs/dbraw/zinc/40/80/90/564408090.db2.gz FZAAUIRSAHIGGC-GFCCVEGCSA-N 1 0 389.721 2.988 20 0 GFADRO CN(C)[C@@H](C[NH2+][C@@H]1CCS(=O)(=O)c2ccc(Br)cc21)C1CC1 ZINC000480234518 564464791 /nfs/dbraw/zinc/46/47/91/564464791.db2.gz SAAAHGZWHVDMKT-CABCVRRESA-N 1 0 387.343 2.597 20 0 GFADRO CN(CC[N@H+](C)C1CC1)c1ncnc2cc(I)sc21 ZINC000593468265 565334242 /nfs/dbraw/zinc/33/42/42/565334242.db2.gz QCWODPIAJAQLRL-UHFFFAOYSA-N 1 0 388.278 2.826 20 0 GFADRO C[C@H](CC[NH3+])NC(=O)N1CCC[C@@H]1c1ccc(I)cc1 ZINC000418537187 563219850 /nfs/dbraw/zinc/21/98/50/563219850.db2.gz CPCMNNGPBMNYHW-BXUZGUMPSA-N 1 0 387.265 2.875 20 0 GFADRO CN(C(=O)c1csc(I)c1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000609509112 566041258 /nfs/dbraw/zinc/04/12/58/566041258.db2.gz GOERNLLFVBQZMM-NSHDSACASA-N 1 0 376.263 2.661 20 0 GFADRO C[C@H]1CCN(S(=O)(=O)c2ccc(Br)c(Cl)c2)C[C@H]1C[NH3+] ZINC000420479700 563265951 /nfs/dbraw/zinc/26/59/51/563265951.db2.gz NLFZXXIJIKYZMP-VHSXEESVSA-N 1 0 381.723 2.708 20 0 GFADRO COC(=O)c1cc(Br)c(F)cc1NC(=O)NC(C)(C)CC[NH3+] ZINC000422578724 563343772 /nfs/dbraw/zinc/34/37/72/563343772.db2.gz WWMUWSZTSZBBLI-UHFFFAOYSA-N 1 0 376.226 2.624 20 0 GFADRO C[C@H]1CC2(CN1S(=O)(=O)c1cccc(Br)c1F)CC[NH2+]CC2 ZINC000424391808 563377925 /nfs/dbraw/zinc/37/79/25/563377925.db2.gz NSPQLNLKIVGKCJ-NSHDSACASA-N 1 0 391.306 2.741 20 0 GFADRO CC[N@@H+]1CCCN(C(=O)c2ccc(F)cc2I)CC1 ZINC000307906819 563434921 /nfs/dbraw/zinc/43/49/21/563434921.db2.gz WJQXMVUUFWMQAP-UHFFFAOYSA-N 1 0 376.213 2.598 20 0 GFADRO CC[C@@H]1CN(S(=O)(=O)c2c(Cl)cccc2Br)CC[C@@H]1[NH3+] ZINC000312717848 563436685 /nfs/dbraw/zinc/43/66/85/563436685.db2.gz UMECIQCNAAERIA-SKDRFNHKSA-N 1 0 381.723 2.850 20 0 GFADRO CCC[N@@H+]1CC[C@@H](CNc2c(Br)cccc2S(C)(=O)=O)C1 ZINC000283481991 563446007 /nfs/dbraw/zinc/44/60/07/563446007.db2.gz HCTFIRFSUBONCY-LBPRGKRZSA-N 1 0 375.332 2.996 20 0 GFADRO COc1cc(Br)c(C[NH2+][C@@H](CO)C[C@@H](O)C(C)(C)C)cc1OC ZINC000283840842 563456840 /nfs/dbraw/zinc/45/68/40/563456840.db2.gz FOPVURWIPIJIHG-MLGOLLRUSA-N 1 0 390.318 2.714 20 0 GFADRO C[C@@H]1[C@@H]([NH+](C)C)CCN1S(=O)(=O)c1ccc(Br)cc1Cl ZINC000380791182 563515565 /nfs/dbraw/zinc/51/55/65/563515565.db2.gz VCYKKBAHCMKXRN-SKDRFNHKSA-N 1 0 381.723 2.816 20 0 GFADRO O=C(c1cc(Br)sc1Br)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000385410793 563518184 /nfs/dbraw/zinc/51/81/84/563518184.db2.gz YZYTWFMWUHTAIW-SVRRBLITSA-N 1 0 380.105 2.707 20 0 GFADRO O=C1C[C@@]2(CC[N@@H+](Cc3ccc(OC(F)F)c(Br)c3)C2)CN1 ZINC000369392877 563213056 /nfs/dbraw/zinc/21/30/56/563213056.db2.gz UXBSFJZRPPHYSY-HNNXBMFYSA-N 1 0 375.213 2.763 20 0 GFADRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NCCc1c[nH]c2cccc(Br)c12 ZINC000418196190 563213491 /nfs/dbraw/zinc/21/34/91/563213491.db2.gz HCIYSDXIWGPNHQ-BXUZGUMPSA-N 1 0 379.302 2.770 20 0 GFADRO C[C@@H](NC(=O)N(CCC[NH3+])Cc1ccccc1)c1ncc(Br)cn1 ZINC000418208265 563213533 /nfs/dbraw/zinc/21/35/33/563213533.db2.gz CXFZCXKJAWWPND-CYBMUJFWSA-N 1 0 392.301 2.861 20 0 GFADRO C[C@H]([NH2+][C@H]1CCN(c2ccn(C)n2)C1=O)c1ccc(F)c(Br)c1 ZINC000369442097 563214096 /nfs/dbraw/zinc/21/40/96/563214096.db2.gz XCWNHAKEBGUTEZ-HZMBPMFUSA-N 1 0 381.249 2.778 20 0 GFADRO CCOC(=O)c1nn(C)cc1CN(C)C[C@H](O)c1ccccc1Br ZINC000294728880 563214367 /nfs/dbraw/zinc/21/43/67/563214367.db2.gz BKRWPOYBALMRLJ-HNNXBMFYSA-N 1 0 396.285 2.525 20 0 GFADRO C[C@@](O)(CN1CCO[C@@]2(CCOC2)C1)c1ccc(Br)cc1Cl ZINC000294729663 563214426 /nfs/dbraw/zinc/21/44/26/563214426.db2.gz WFNWHYYARSKACR-CVEARBPZSA-N 1 0 390.705 2.801 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)NCc3nc4c(cccc4Br)[nH]3)C[C@@H]21 ZINC000418262788 563214955 /nfs/dbraw/zinc/21/49/55/563214955.db2.gz ITIRCRNPLZGUKK-NTZNESFSSA-N 1 0 392.301 2.594 20 0 GFADRO [NH3+]C1CCC(NC(=O)N2CCO[C@@H](c3ccc(Br)cc3)C2)CC1 ZINC000418390798 563216252 /nfs/dbraw/zinc/21/62/52/563216252.db2.gz UBXOXKFDTSQQKM-UYSNPLJNSA-N 1 0 382.302 2.802 20 0 GFADRO C[NH2+]C[C@H](C)CNC(=O)N1CCN([C@H](C)c2ccc(Br)cc2)CC1 ZINC000418359573 563216288 /nfs/dbraw/zinc/21/62/88/563216288.db2.gz ALTQKTHADFXETO-LSDHHAIUSA-N 1 0 397.361 2.693 20 0 GFADRO C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)N[C@@H](C[NH3+])C2CC2)CC1 ZINC000418393250 563217026 /nfs/dbraw/zinc/21/70/26/563217026.db2.gz FAUVKVRYCLOJBD-GUYCJALGSA-N 1 0 395.345 2.575 20 0 GFADRO COCCN(Cc1sccc1Br)C(=O)NC[C@@H]([NH3+])C(C)C ZINC000418412097 563217267 /nfs/dbraw/zinc/21/72/67/563217267.db2.gz QUHZQQALRNVRAO-GFCCVEGCSA-N 1 0 378.336 2.652 20 0 GFADRO CCCC(=O)N1CSC[C@@H]1C(=O)NC[C@@H]1CC[N@H+](C)[C@@H]1c1cccs1 ZINC000369567003 563217428 /nfs/dbraw/zinc/21/74/28/563217428.db2.gz FZYUOPZEVBWYOG-VBQJREDUSA-N 1 0 381.567 2.559 20 0 GFADRO CC[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)NC[C@@H](C)C[NH3+])CC1 ZINC000418495316 563218646 /nfs/dbraw/zinc/21/86/46/563218646.db2.gz UEDGWTVZDUCWMM-YOEHRIQHSA-N 1 0 397.361 2.822 20 0 GFADRO [NH3+][C@H](CNC(=O)N1CCC(Nc2cccc(Br)c2)CC1)C1CC1 ZINC000418499339 563218820 /nfs/dbraw/zinc/21/88/20/563218820.db2.gz NTJCZRZFCIELTD-MRXNPFEDSA-N 1 0 381.318 2.772 20 0 GFADRO COCC[NH2+]CCNC(=O)N(C)C[C@@H](C)Oc1ccc(Cl)c(Cl)c1 ZINC000418515867 563219527 /nfs/dbraw/zinc/21/95/27/563219527.db2.gz YWAXLPLQEJCOSM-GFCCVEGCSA-N 1 0 378.300 2.638 20 0 GFADRO Cn1cnc(S(=O)(=O)N(c2cccc(F)c2)C2CC[NH+](C)CC2)c1Cl ZINC000369611042 563219783 /nfs/dbraw/zinc/21/97/83/563219783.db2.gz CHTONRYQEGGDHJ-UHFFFAOYSA-N 1 0 386.880 2.502 20 0 GFADRO COCCN(Cc1cc(Br)cs1)C(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000418587186 563220851 /nfs/dbraw/zinc/22/08/51/563220851.db2.gz GKIVQUYBHWSRBW-RISCZKNCSA-N 1 0 390.347 2.667 20 0 GFADRO COCCN(Cc1sccc1Br)C(=O)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000418614008 563221609 /nfs/dbraw/zinc/22/16/09/563221609.db2.gz WXDXDPSMCCIEFQ-NEPJUHHUSA-N 1 0 390.347 2.809 20 0 GFADRO COCCN(Cc1sccc1Br)C(=O)N[C@@H](C)CCC[NH3+] ZINC000418687330 563221890 /nfs/dbraw/zinc/22/18/90/563221890.db2.gz LOWKJASMSLMVOO-NSHDSACASA-N 1 0 378.336 2.796 20 0 GFADRO COC[C@]1(CNC(=O)NC(C)(C)c2ccccc2Br)CCC[NH2+]1 ZINC000418654647 563221930 /nfs/dbraw/zinc/22/19/30/563221930.db2.gz MJBHSKDRQBQAIS-QGZVFWFLSA-N 1 0 384.318 2.752 20 0 GFADRO CC(=O)NCCN(Cc1ccc(Cl)cc1Cl)C(=O)N[C@H](C)CCC[NH3+] ZINC000418687891 563222225 /nfs/dbraw/zinc/22/22/25/563222225.db2.gz MNLULRNZJDOACJ-GFCCVEGCSA-N 1 0 389.327 2.769 20 0 GFADRO C[C@H]([NH3+])[C@H](C)NC(=O)N1CCN(c2ccc(C(F)(F)F)cc2Cl)CC1 ZINC000418688853 563222237 /nfs/dbraw/zinc/22/22/37/563222237.db2.gz BECOSJBEIXCWKE-QWRGUYRKSA-N 1 0 378.826 2.926 20 0 GFADRO CN(C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21)[C@H]1CCSc2ccc(Br)cc21 ZINC000418678118 563222360 /nfs/dbraw/zinc/22/23/60/563222360.db2.gz VXFCWYDYIRMGLL-SFDCQRBFSA-N 1 0 382.327 2.845 20 0 GFADRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)c2c[nH]c(=O)c(Br)c2)C1 ZINC000369709435 563222519 /nfs/dbraw/zinc/22/25/19/563222519.db2.gz QSINBNQVQCSNMZ-OAHLLOKOSA-N 1 0 390.281 2.896 20 0 GFADRO C[C@@H](CCC[NH3+])NC(=O)N1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000418711686 563222725 /nfs/dbraw/zinc/22/27/25/563222725.db2.gz UTLSSEWLSKYRQI-LBPRGKRZSA-N 1 0 387.311 2.588 20 0 GFADRO CC(C)(C)[NH2+]CCNC(=O)[C@H]1CCCN(c2ccc(Br)cn2)C1 ZINC000369758504 563224035 /nfs/dbraw/zinc/22/40/35/563224035.db2.gz YLBFYAXMJLAQSJ-ZDUSSCGKSA-N 1 0 383.334 2.565 20 0 GFADRO O=C(NCCC[C@@H]1CCC[NH2+]1)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000418765651 563225314 /nfs/dbraw/zinc/22/53/14/563225314.db2.gz JYOHIXTXPPWMDZ-AWEZNQCLSA-N 1 0 386.327 2.752 20 0 GFADRO CC1CC[NH+](CC2CCN(Cc3csc(CS(C)(=O)=O)n3)CC2)CC1 ZINC000369826566 563225983 /nfs/dbraw/zinc/22/59/83/563225983.db2.gz XSFJZLWCXDHEQU-UHFFFAOYSA-N 1 0 385.599 2.632 20 0 GFADRO CN(C(=O)C(=O)N[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl)[C@H]1CCC[NH2+]CC1 ZINC000418812666 563226376 /nfs/dbraw/zinc/22/63/76/563226376.db2.gz BRXOXLURRBPZBM-DUVNUKRYSA-N 1 0 384.307 2.566 20 0 GFADRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000418821741 563226733 /nfs/dbraw/zinc/22/67/33/563226733.db2.gz VTWWPORYBCIWJO-VBNZEHGJSA-N 1 0 386.323 2.797 20 0 GFADRO COCCC[N@@H+]1CCCN(CCC(=O)Nc2ccc(Br)cc2)CC1 ZINC000369904802 563228095 /nfs/dbraw/zinc/22/80/95/563228095.db2.gz RAXOGTFVUHJHLS-UHFFFAOYSA-N 1 0 398.345 2.822 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)N[C@@H](C)c2cc(F)c(Cl)cc2Cl)C1 ZINC000418851721 563228129 /nfs/dbraw/zinc/22/81/29/563228129.db2.gz QAGRWSRGKWRUHD-DCAQKATOSA-N 1 0 390.286 2.896 20 0 GFADRO CN(CC1([NH+](C)C)CCC1)C(=O)c1cccnc1-n1cc(Br)cn1 ZINC000295066576 563228402 /nfs/dbraw/zinc/22/84/02/563228402.db2.gz ADKHKGRCCJFNSP-UHFFFAOYSA-N 1 0 392.301 2.586 20 0 GFADRO OCCCN1CCC[C@H]([NH2+]CC2=Cc3cc(Br)ccc3OC2)C1 ZINC000295094296 563228817 /nfs/dbraw/zinc/22/88/17/563228817.db2.gz JQRLIRXFTRPAEI-KRWDZBQOSA-N 1 0 381.314 2.661 20 0 GFADRO O=C(N[C@@H]1CCC[NH2+]CC1)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1 ZINC000369946149 563228806 /nfs/dbraw/zinc/22/88/06/563228806.db2.gz QMEKECKQSBKGTR-OAHLLOKOSA-N 1 0 384.929 2.685 20 0 GFADRO C[C@H]1CN(C(=O)C(=O)N[C@H]2C[C@H](c3ccc(Cl)c(Cl)c3)C2)CC[C@H]1[NH3+] ZINC000418894514 563229295 /nfs/dbraw/zinc/22/92/95/563229295.db2.gz RJAAIKPKYPSUCV-RKOGSIPDSA-N 1 0 384.307 2.551 20 0 GFADRO [NH3+]CC1CCN(C(=O)C(=O)N[C@H]2C[C@H](c3ccc(Cl)c(Cl)c3)C2)CC1 ZINC000418891709 563229381 /nfs/dbraw/zinc/22/93/81/563229381.db2.gz MERSFRSUUDFAHR-HDJSIYSDSA-N 1 0 384.307 2.553 20 0 GFADRO O=S(=O)(NCC[NH2+]C1CCC2(CCCO2)CC1)c1ccc(Cl)s1 ZINC000370009564 563230749 /nfs/dbraw/zinc/23/07/49/563230749.db2.gz ORZYMVQACHVLEV-UHFFFAOYSA-N 1 0 378.947 2.761 20 0 GFADRO O=C1NC2(CCSCC2)C(=O)N1C[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000277914257 563232005 /nfs/dbraw/zinc/23/20/05/563232005.db2.gz QALLQNRNJAATQV-CQSZACIVSA-N 1 0 379.551 2.778 20 0 GFADRO C[NH2+]C[C@H](C)CNC(=O)C(=O)N[C@@H](c1ccsc1)c1ccc(Cl)cc1 ZINC000419124828 563233963 /nfs/dbraw/zinc/23/39/63/563233963.db2.gz JACCPJGKBUDOBC-BLLLJJGKSA-N 1 0 379.913 2.579 20 0 GFADRO COc1cccc2c1C[C@H]([NH2+][C@H](C(N)=O)c1ccc(Br)cc1)C2 ZINC000419333627 563237016 /nfs/dbraw/zinc/23/70/16/563237016.db2.gz SPUBQMVLHASNBW-PBHICJAKSA-N 1 0 375.266 2.741 20 0 GFADRO Cc1ccc(Br)c(S(=O)(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000370233832 563237207 /nfs/dbraw/zinc/23/72/07/563237207.db2.gz SSPCAKCRFSZHPB-HIFRSBDPSA-N 1 0 387.343 2.910 20 0 GFADRO Cn1cnc2c1CCN(S(=O)(=O)c1cc(Br)ccc1Cl)C2 ZINC000370257825 563237882 /nfs/dbraw/zinc/23/78/82/563237882.db2.gz YOAMRPZUYBRBFB-UHFFFAOYSA-N 1 0 390.690 2.583 20 0 GFADRO O=C(NCC1CC[NH+](C2CC2)CC1)N[C@H](CO)c1ccc(Br)cc1 ZINC000278046645 563238167 /nfs/dbraw/zinc/23/81/67/563238167.db2.gz CRCSGWSTNXXSAG-QGZVFWFLSA-N 1 0 396.329 2.656 20 0 GFADRO CC(C)(CNC(=O)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1)c1ccc(Cl)c(Cl)c1 ZINC000419354703 563238587 /nfs/dbraw/zinc/23/85/87/563238587.db2.gz FAJWFDFWURRCCU-QWHCGFSZSA-N 1 0 386.323 2.773 20 0 GFADRO C[C@@H](c1nc(N)nc(Cl)n1)N(C)C[C@H](O)c1ccccc1Br ZINC000295257907 563239232 /nfs/dbraw/zinc/23/92/32/563239232.db2.gz GPSQIIYOUZGKPE-KWQFWETISA-N 1 0 386.681 2.596 20 0 GFADRO C[C@H](CNC(=O)C(=O)N1CCC[C@H](CC[NH3+])C1)c1c(Cl)cccc1Cl ZINC000419520293 563240801 /nfs/dbraw/zinc/24/08/01/563240801.db2.gz PUVFOFQSMZAARX-CHWSQXEVSA-N 1 0 386.323 2.801 20 0 GFADRO C[C@@H](NC(=O)N1C[C@@H](C)[N@H+](CCO)C[C@H]1C)c1ccc(Br)cc1 ZINC000419517341 563240832 /nfs/dbraw/zinc/24/08/32/563240832.db2.gz IPSLUTBVTVSEFO-MGPQQGTHSA-N 1 0 384.318 2.607 20 0 GFADRO Cc1ccc(Br)c(NC(=O)C(=O)NCC2CC[NH+](C3CC3)CC2)c1 ZINC000278125581 563241793 /nfs/dbraw/zinc/24/17/93/563241793.db2.gz CWMGRYHTGZTVNE-UHFFFAOYSA-N 1 0 394.313 2.687 20 0 GFADRO CN1CCC[C@]2(CC[N@H+](CCC(=O)Nc3ccc(Br)cc3)C2)C1=O ZINC000370410303 563242389 /nfs/dbraw/zinc/24/23/89/563242389.db2.gz NGPXNBSTOKPLHA-GOSISDBHSA-N 1 0 394.313 2.722 20 0 GFADRO C[NH+](C)C[C@H]1CN(C(=O)c2cncc(Br)c2)c2ccccc2O1 ZINC000370503109 563246443 /nfs/dbraw/zinc/24/64/43/563246443.db2.gz OLEZJSFTOSJHBU-AWEZNQCLSA-N 1 0 376.254 2.814 20 0 GFADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)Cc1ccc(Br)c(F)c1 ZINC000278302683 563249630 /nfs/dbraw/zinc/24/96/30/563249630.db2.gz CHFHHMRWBHKDBM-CYBMUJFWSA-N 1 0 399.304 2.842 20 0 GFADRO C[C@]1(C[NH2+]Cc2ccc(S(N)(=O)=O)c(Cl)c2)OCCc2sccc21 ZINC000419753345 563249657 /nfs/dbraw/zinc/24/96/57/563249657.db2.gz YIVKSZWROARVCJ-MRXNPFEDSA-N 1 0 386.926 2.627 20 0 GFADRO CCC[C@@H](O)[C@@H](CO)[NH2+]Cc1cc(Br)cc(Br)c1 ZINC000419807254 563250721 /nfs/dbraw/zinc/25/07/21/563250721.db2.gz FOOPTJQCXNTHDJ-CHWSQXEVSA-N 1 0 381.108 2.823 20 0 GFADRO C[C@H]1c2c(Cl)cc(Cl)cc2CCN1C(=O)C(=O)NC1CCC([NH3+])CC1 ZINC000419876671 563252577 /nfs/dbraw/zinc/25/25/77/563252577.db2.gz PCIQMDHUHQCLMC-FNBIGBAISA-N 1 0 384.307 2.825 20 0 GFADRO O=C(NC[C@@H]1CCC[C@@H]1[NH+]1CCOCC1)c1cc(F)ccc1Br ZINC000370761137 563254545 /nfs/dbraw/zinc/25/45/45/563254545.db2.gz VFKQNRFDHXRDQR-LRDDRELGSA-N 1 0 385.277 2.819 20 0 GFADRO O=C(NC[C@@H]1CCC[C@@H]1[NH+]1CCOCC1)c1ccc(Br)c(F)c1 ZINC000370777143 563254848 /nfs/dbraw/zinc/25/48/48/563254848.db2.gz WNSLWRKSNNNPBS-BBRMVZONSA-N 1 0 385.277 2.819 20 0 GFADRO C[NH+](C)CC[C@](C)(O)CNC(=O)c1cc(C(F)(F)F)ccc1Br ZINC000420025232 563256823 /nfs/dbraw/zinc/25/68/23/563256823.db2.gz ZUJXLKIRNBUGSH-AWEZNQCLSA-N 1 0 397.235 2.900 20 0 GFADRO CC[C@@H](Cc1ccccc1Br)C(=O)NC[C@](C)(O)CC[NH+](C)C ZINC000420015841 563256919 /nfs/dbraw/zinc/25/69/19/563256919.db2.gz MHRBTUQVWXOXPP-KBXCAEBGSA-N 1 0 385.346 2.837 20 0 GFADRO CN(C(=O)Cc1ccccc1Br)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000370830010 563257059 /nfs/dbraw/zinc/25/70/59/563257059.db2.gz KORWGMPSOSSGCP-QGZVFWFLSA-N 1 0 394.357 2.619 20 0 GFADRO O=S1(=O)CC[C@]2(C1)C[C@H]([NH2+]CCCc1c(F)cccc1Cl)CCO2 ZINC000278461542 563257122 /nfs/dbraw/zinc/25/71/22/563257122.db2.gz FBPQFROLZPQIMO-CXAGYDPISA-N 1 0 375.893 2.738 20 0 GFADRO CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000420059847 563257439 /nfs/dbraw/zinc/25/74/39/563257439.db2.gz GYJZCMQNDVMYAY-INIZCTEOSA-N 1 0 386.323 2.976 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCc3cc(Cl)cc(Cl)c3[C@@H]2C)CC[NH2+]1 ZINC000420114456 563258601 /nfs/dbraw/zinc/25/86/01/563258601.db2.gz FUMCMTFGTVQKHL-SUNKGSAMSA-N 1 0 384.307 2.696 20 0 GFADRO C[C@@H](NC(=O)Cc1cc[nH]c(=O)c1Br)[C@@H](c1ccccc1)[NH+](C)C ZINC000278495287 563258846 /nfs/dbraw/zinc/25/88/46/563258846.db2.gz KFURJWKLNFFKPF-PXAZEXFGSA-N 1 0 392.297 2.900 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)C(=O)N(Cc2cccs2)Cc2cccs2)CC[NH2+]1 ZINC000420116352 563258923 /nfs/dbraw/zinc/25/89/23/563258923.db2.gz HADKQUJSIYLQTP-KGLIPLIRSA-N 1 0 377.535 2.595 20 0 GFADRO Ic1ccc2ncnc(N3CCC4(CC[NH2+]C4)CC3)c2c1 ZINC000420269018 563260941 /nfs/dbraw/zinc/26/09/41/563260941.db2.gz ZQPOKVCXBBORGP-UHFFFAOYSA-N 1 0 394.260 2.814 20 0 GFADRO Cn1ncc(Br)c1C[NH2+]CCCC(=O)N1Cc2ccccc2C1 ZINC000278546686 563261161 /nfs/dbraw/zinc/26/11/61/563261161.db2.gz UPRBQMCZUWTBDE-UHFFFAOYSA-N 1 0 377.286 2.595 20 0 GFADRO CN(Cc1cc(Br)cs1)C(=O)CN1C[C@H]([NH3+])Cc2ccccc21 ZINC000420394293 563262872 /nfs/dbraw/zinc/26/28/72/563262872.db2.gz AMRPILQBDYZQBN-CQSZACIVSA-N 1 0 394.338 2.859 20 0 GFADRO C[C@H]1C[N@H+](CCCNC(=O)CCc2ccccc2Br)CCCO1 ZINC000278620517 563263506 /nfs/dbraw/zinc/26/35/06/563263506.db2.gz RMTFBRPSLVFFAC-HNNXBMFYSA-N 1 0 383.330 2.999 20 0 GFADRO Cc1sc(Br)cc1S(=O)(=O)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420458202 563264480 /nfs/dbraw/zinc/26/44/80/563264480.db2.gz IRMYVHNIJGSUIN-NWDGAFQWSA-N 1 0 393.372 2.972 20 0 GFADRO Cc1cc(F)c(Br)cc1S(=O)(=O)N[C@@H]1CC[NH2+]CC1(C)C ZINC000420461096 563264565 /nfs/dbraw/zinc/26/45/65/563264565.db2.gz LTWPWFIVEGBSLR-CYBMUJFWSA-N 1 0 379.295 2.563 20 0 GFADRO Cc1cccc(C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)c1Br ZINC000371089736 563265116 /nfs/dbraw/zinc/26/51/16/563265116.db2.gz SHLBWFXPTOWMJY-HNNXBMFYSA-N 1 0 380.330 2.610 20 0 GFADRO O=S1(=O)CCC[C@@H](C[NH2+][C@@H]2CCc3c2ccc(F)c3Br)C1 ZINC000296047981 563272356 /nfs/dbraw/zinc/27/23/56/563272356.db2.gz OKHAUCGRSVMZPQ-IINYFYTJSA-N 1 0 376.291 2.990 20 0 GFADRO Cc1cc(Br)ccc1C[NH+]1CCC([C@]2(C)NC(=O)NC2=O)CC1 ZINC000371331236 563272861 /nfs/dbraw/zinc/27/28/61/563272861.db2.gz GCJGORBBHPDGCN-KRWDZBQOSA-N 1 0 380.286 2.568 20 0 GFADRO CC[C@@H](NC(=O)NC1CC[NH+](Cc2cccs2)CC1)[C@@H](O)C(F)(F)F ZINC000371379770 563274846 /nfs/dbraw/zinc/27/48/46/563274846.db2.gz RKILSHDJAYNYCA-ZIAGYGMSSA-N 1 0 379.448 2.714 20 0 GFADRO COc1ccc(Br)cc1CN(C)C(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000278935067 563276908 /nfs/dbraw/zinc/27/69/08/563276908.db2.gz FNTKKJKIMIWLDY-NSHDSACASA-N 1 0 393.285 2.530 20 0 GFADRO CN(Cc1ncc(Cl)n1C)C(=O)NC[C@H]1CC[N@H+](C)[C@H]1c1cccs1 ZINC000371497258 563279284 /nfs/dbraw/zinc/27/92/84/563279284.db2.gz OHXXVABESOBIKS-MLGOLLRUSA-N 1 0 381.933 2.969 20 0 GFADRO O=S1(=O)CC[C@](O)(CN[C@@H](c2ccc(F)cc2)c2ccccc2Cl)C1 ZINC000296239332 563280423 /nfs/dbraw/zinc/28/04/23/563280423.db2.gz CLTSVFOLGIJSOU-ROUUACIJSA-N 1 0 383.872 2.708 20 0 GFADRO CN1CC[NH+](CC2CCN(C(=O)[C@@H]3C[C@H]3c3ccc(Cl)s3)CC2)CC1 ZINC000279045365 563281857 /nfs/dbraw/zinc/28/18/57/563281857.db2.gz OTKJWYIQFAXBOI-HZPDHXFCSA-N 1 0 381.973 2.991 20 0 GFADRO C[NH+](C)C1CCC(NS(=O)(=O)c2c(F)cccc2OC(F)(F)F)CC1 ZINC000420746800 563282352 /nfs/dbraw/zinc/28/23/52/563282352.db2.gz NJJUSOCBXKRZRV-UHFFFAOYSA-N 1 0 384.395 2.875 20 0 GFADRO O=C(N[C@@H]1CCc2cc(Br)ccc21)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000279082237 563282887 /nfs/dbraw/zinc/28/28/87/563282887.db2.gz VHNWKZXOXVZDQY-BXUZGUMPSA-N 1 0 375.270 2.666 20 0 GFADRO C[NH+](C)C1CCC(NS(=O)(=O)c2ccc(F)c(Br)c2)CC1 ZINC000420751299 563283517 /nfs/dbraw/zinc/28/35/17/563283517.db2.gz VZYLJCQXXOVYAQ-UHFFFAOYSA-N 1 0 379.295 2.739 20 0 GFADRO CN(C)C(=O)c1ccc(C[NH+]2CCC(Cn3cc(Br)cn3)CC2)[nH]1 ZINC000371684642 563284405 /nfs/dbraw/zinc/28/44/05/563284405.db2.gz GGUVWIKABSAAAY-UHFFFAOYSA-N 1 0 394.317 2.588 20 0 GFADRO O=S1(=O)CC[C@@](O)(C[NH2+][C@@H]2CCCc3cc(SC(F)F)ccc32)C1 ZINC000296409878 563286538 /nfs/dbraw/zinc/28/65/38/563286538.db2.gz KVAADARWRFBUTE-GDBMZVCRSA-N 1 0 377.478 2.518 20 0 GFADRO CC(C)[N@@H+]1CCc2nc(CN3CCN([C@H](C)C(F)(F)F)CC3)sc2C1 ZINC000371803508 563287937 /nfs/dbraw/zinc/28/79/37/563287937.db2.gz QEQAQFCDBDLBMP-CYBMUJFWSA-N 1 0 376.492 2.978 20 0 GFADRO Cc1csc(N2CCN(Cc3nc4c(s3)C[N@H+](C(C)C)CC4)CC2)n1 ZINC000371804498 563287967 /nfs/dbraw/zinc/28/79/67/563287967.db2.gz XUJXFWYOZMFLJK-UHFFFAOYSA-N 1 0 377.583 2.997 20 0 GFADRO O=C(Nc1nc(-c2cccs2)cs1)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000371832709 563288871 /nfs/dbraw/zinc/28/88/71/563288871.db2.gz PTZPOJIEXPCQCB-RYUDHWBXSA-N 1 0 376.507 2.553 20 0 GFADRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)N[C@H]1COc2cc(F)c(Br)cc21 ZINC000420860916 563288920 /nfs/dbraw/zinc/28/89/20/563288920.db2.gz IYCLQHUTCRXTOL-YGRLFVJLSA-N 1 0 386.265 2.757 20 0 GFADRO CC1(C)[C@H]([NH2+]CCS(=O)(=O)c2cccc(Br)c2)[C@@H]2CCO[C@H]21 ZINC000296489480 563289183 /nfs/dbraw/zinc/28/91/83/563289183.db2.gz YSWLGBSNOTZORK-RRFJBIMHSA-N 1 0 388.327 2.626 20 0 GFADRO C[NH+](C)C1CCC(NC(=O)NCC(=O)Nc2ccc(Br)cc2)CC1 ZINC000420906391 563290450 /nfs/dbraw/zinc/29/04/50/563290450.db2.gz RTWINQKSQMTWFR-UHFFFAOYSA-N 1 0 397.317 2.560 20 0 GFADRO CC(=O)N[C@H]1CC[N@H+](CCCC(=O)Nc2c(C)cc(Br)cc2C)C1 ZINC000420953803 563292191 /nfs/dbraw/zinc/29/21/91/563292191.db2.gz JMUAJSGKSQPSIU-INIZCTEOSA-N 1 0 396.329 2.995 20 0 GFADRO COc1nccc(C[NH2+]C[C@@H]2CCN(c3ccc(Br)cc3)C2)n1 ZINC000296580123 563292786 /nfs/dbraw/zinc/29/27/86/563292786.db2.gz WTSOTXLKCNRWEV-ZDUSSCGKSA-N 1 0 377.286 2.864 20 0 GFADRO COC1([C@H](C)[NH2+]C[C@@H](O)COc2ccc(Cl)cc2Cl)CCOCC1 ZINC000421031523 563294263 /nfs/dbraw/zinc/29/42/63/563294263.db2.gz KQPIGPJZWPFDKZ-GXTWGEPZSA-N 1 0 378.296 2.907 20 0 GFADRO COc1sc(C[NH2+][C@H]2CCCc3c2cnn3CCO)cc1Br ZINC000372191791 563298705 /nfs/dbraw/zinc/29/87/05/563298705.db2.gz OQXMPQKMTVDTHI-ZDUSSCGKSA-N 1 0 386.315 2.875 20 0 GFADRO COc1ccc(Br)c([C@@H](CO)N(C)C(=O)CC2CC[NH+](C)CC2)c1 ZINC000296725825 563299224 /nfs/dbraw/zinc/29/92/24/563299224.db2.gz AORYAAJKFCXGEH-QGZVFWFLSA-N 1 0 399.329 2.681 20 0 GFADRO CC[C@H](NC(=O)NC1CC[NH+](Cc2ccsc2)CC1)[C@H](O)C(F)(F)F ZINC000372319645 563301979 /nfs/dbraw/zinc/30/19/79/563301979.db2.gz VYCKGQLXBVHFAU-KBPBESRZSA-N 1 0 379.448 2.714 20 0 GFADRO Cn1cc([C@H]2[C@H](C[NH2+]Cc3csc(Br)c3)CC(=O)N2C)cn1 ZINC000372388658 563304516 /nfs/dbraw/zinc/30/45/16/563304516.db2.gz CTFPPGADAQNIGR-XHDPSFHLSA-N 1 0 383.315 2.553 20 0 GFADRO Cc1ccc(C[NH2+]C[C@@H]2CC(=O)N(C)[C@H]2c2cnn(C)c2)cc1Br ZINC000372388831 563304906 /nfs/dbraw/zinc/30/49/06/563304906.db2.gz FOQBVNXXXNYJHK-KBXCAEBGSA-N 1 0 391.313 2.800 20 0 GFADRO Cc1csc([C@H](NC(=O)NC[C@@]2([NH+](C)C)CCSC2)C(F)(F)F)n1 ZINC000296887745 563306908 /nfs/dbraw/zinc/30/69/08/563306908.db2.gz GXTWNPFVUVCAQQ-GWCFXTLKSA-N 1 0 382.477 2.791 20 0 GFADRO CCCN1C[C@@H](C[NH2+]Cc2cn(-c3ccc(Cl)cc3Cl)nn2)CC1=O ZINC000421348171 563307914 /nfs/dbraw/zinc/30/79/14/563307914.db2.gz GNLBCZTXAQKJAZ-GFCCVEGCSA-N 1 0 382.295 2.922 20 0 GFADRO Cc1nc(NC(=O)NC[C@@H]2CCC[C@@H]2[NH+]2CCOCC2)ccc1Br ZINC000372487582 563308597 /nfs/dbraw/zinc/30/85/97/563308597.db2.gz QUTSGAKYOHSWIZ-ZFWWWQNUSA-N 1 0 397.317 2.775 20 0 GFADRO CCCN1C[C@@H](C[NH2+]Cc2c(Br)cc(OC)cc2OC)CC1=O ZINC000421352868 563308669 /nfs/dbraw/zinc/30/86/69/563308669.db2.gz OODMLKJTRINJSQ-GFCCVEGCSA-N 1 0 385.302 2.814 20 0 GFADRO CCN(CC)[C@H](CNC(=O)c1ccc(S(C)(=O)=O)s1)c1ccccc1 ZINC000421415808 563310480 /nfs/dbraw/zinc/31/04/80/563310480.db2.gz CVRRBVZMQLUZPU-OAHLLOKOSA-N 1 0 380.535 2.965 20 0 GFADRO CN(C(=O)c1ccc(S(=O)(=O)c2ccccc2)s1)[C@@H]1CCC[NH2+]CC1 ZINC000372573840 563310912 /nfs/dbraw/zinc/31/09/12/563310912.db2.gz MXLHRXUYQMBNCO-CQSZACIVSA-N 1 0 378.519 2.795 20 0 GFADRO O=S(=O)(c1ccccc1OC(F)(F)F)N1CCCC2(CC[NH2+]CC2)C1 ZINC000372574547 563310987 /nfs/dbraw/zinc/31/09/87/563310987.db2.gz YAOVXTCJETWXNR-UHFFFAOYSA-N 1 0 378.416 2.740 20 0 GFADRO CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1([NH3+])C(=O)NCc1ccc(Br)c(F)c1 ZINC000372569580 563311390 /nfs/dbraw/zinc/31/13/90/563311390.db2.gz JBKBGGRFMJVSQP-FABXCBLPSA-N 1 0 385.277 2.737 20 0 GFADRO C[NH+]1CCN([C@H]2CCCCN(C(=O)c3ccc(Br)s3)C2)CC1 ZINC000372625529 563312773 /nfs/dbraw/zinc/31/27/73/563312773.db2.gz MOLKEKMUXFANQP-ZDUSSCGKSA-N 1 0 386.359 2.753 20 0 GFADRO C[C@H](C(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1)c1ccc(Br)s1 ZINC000372642813 563313435 /nfs/dbraw/zinc/31/34/35/563313435.db2.gz CWXLIUYWQQCSEJ-RWMBFGLXSA-N 1 0 387.343 2.672 20 0 GFADRO C[NH+]1CCC(C(=O)N2CCN(c3nc(-c4cccs4)cs3)CC2)CC1 ZINC000372672308 563314087 /nfs/dbraw/zinc/31/40/87/563314087.db2.gz CNAYWVAASPNKKV-UHFFFAOYSA-N 1 0 376.551 2.862 20 0 GFADRO CCS(=O)(=O)c1ccc(CNC(=O)NCCC[N@@H+]2CCCC[C@H]2C)s1 ZINC000279922212 563315178 /nfs/dbraw/zinc/31/51/78/563315178.db2.gz KLGGLEZBBSYAMJ-CQSZACIVSA-N 1 0 387.571 2.605 20 0 GFADRO CC[C@H](NC(=O)NCC1CC[NH+](Cc2cccs2)CC1)[C@H](O)C(F)F ZINC000297163848 563318250 /nfs/dbraw/zinc/31/82/50/563318250.db2.gz JNBFQQNQVKQHES-GJZGRUSLSA-N 1 0 375.485 2.664 20 0 GFADRO COC(=O)c1cc(NC(=O)NC[C@@H]2CC[N@H+](C)C2)c(C)cc1Br ZINC000297205608 563319315 /nfs/dbraw/zinc/31/93/15/563319315.db2.gz YFGWAOUAJWXPGM-NSHDSACASA-N 1 0 384.274 2.617 20 0 GFADRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)c1ccc(S(C)(=O)=O)s1 ZINC000421765427 563321377 /nfs/dbraw/zinc/32/13/77/563321377.db2.gz YVCSMUBETLMPNM-UHFFFAOYSA-N 1 0 380.535 2.876 20 0 GFADRO C[NH+](C)C1CCC(N2C(=O)N[C@@H](c3ccc(Br)cc3)C2=O)CC1 ZINC000421811826 563322724 /nfs/dbraw/zinc/32/27/24/563322724.db2.gz AELPZNWKPFQIGY-NRXISQOPSA-N 1 0 380.286 2.915 20 0 GFADRO COc1cc(CNC(=O)C[C@@H]2CCC[NH2+]CC2)cc(Br)c1OC ZINC000372926824 563322743 /nfs/dbraw/zinc/32/27/43/563322743.db2.gz UNDZWUUERCSGNL-GFCCVEGCSA-N 1 0 385.302 2.862 20 0 GFADRO C[C@@H](CC[NH+](C)C)NC(=O)NCc1noc(-c2cccc(Br)c2)n1 ZINC000297298060 563323123 /nfs/dbraw/zinc/32/31/23/563323123.db2.gz RCSUFGOTIVKOIK-NSHDSACASA-N 1 0 396.289 2.639 20 0 GFADRO COC1([C@H](C)[NH2+]CCNS(=O)(=O)c2ccc(F)cc2Cl)CCCC1 ZINC000421863992 563323368 /nfs/dbraw/zinc/32/33/68/563323368.db2.gz ZCXGFSNBOJPKPN-LBPRGKRZSA-N 1 0 378.897 2.695 20 0 GFADRO O=C([C@@H]1CCN(c2cc(Cl)ccc2Cl)C1=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000372958712 563323438 /nfs/dbraw/zinc/32/34/38/563323438.db2.gz PHTPWGUGWJFAAY-WHOFXGATSA-N 1 0 382.291 2.557 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)N1CCC[C@@H]([NH3+])[C@H]1C ZINC000297354323 563324063 /nfs/dbraw/zinc/32/40/63/563324063.db2.gz JTWIISVGKJLSPO-QLFBSQMISA-N 1 0 384.567 2.689 20 0 GFADRO COc1ccc(S(=O)(=O)N2CCC[C@H]([NH+](C)C)CC2)cc1Br ZINC000372992302 563325181 /nfs/dbraw/zinc/32/51/81/563325181.db2.gz WGDLLWGCTHJSIJ-LBPRGKRZSA-N 1 0 391.331 2.563 20 0 GFADRO [NH3+]C[C@H]1CCCN(C(=O)CCc2nc(-c3cc(Br)cs3)no2)C1 ZINC000297430630 563326496 /nfs/dbraw/zinc/32/64/96/563326496.db2.gz SVSNCYWYQDVLMT-SNVBAGLBSA-N 1 0 399.314 2.691 20 0 GFADRO Cc1ccc(-n2nc(Br)cc2C(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)cc1 ZINC000373045316 563326953 /nfs/dbraw/zinc/32/69/53/563326953.db2.gz XKUUVRVQFWUVCB-HIFRSBDPSA-N 1 0 389.297 2.767 20 0 GFADRO Cn1ncc(Br)c1-c1nc(-c2cccc(OCC[NH+](C)C)c2)no1 ZINC000297565650 563329736 /nfs/dbraw/zinc/32/97/36/563329736.db2.gz GHYGIQVRFCGLPC-UHFFFAOYSA-N 1 0 392.257 2.840 20 0 GFADRO Cc1n[nH]cc1CCC[NH2+][C@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000280262223 563329882 /nfs/dbraw/zinc/32/98/82/563329882.db2.gz XHTCTKHLOMLVLX-SNVBAGLBSA-N 1 0 391.324 2.956 20 0 GFADRO OC[C@@H](C[NH2+]Cc1ccc(Br)c(Br)c1)[C@@H]1CCOC1 ZINC000280280179 563330725 /nfs/dbraw/zinc/33/07/25/563330725.db2.gz LOGXEDYJAFDUIT-VXGBXAGGSA-N 1 0 393.119 2.946 20 0 GFADRO O=C(Cc1cc[nH]c(=O)c1Br)N1CCC[C@H](C[NH+]2CCCCC2)C1 ZINC000373182846 563331205 /nfs/dbraw/zinc/33/12/05/563331205.db2.gz MFBJDSZJFQCIFM-CQSZACIVSA-N 1 0 396.329 2.817 20 0 GFADRO C[NH+]1CCC(n2ccc(NC(=O)CCc3cc(Br)cs3)n2)CC1 ZINC000373294247 563334118 /nfs/dbraw/zinc/33/41/18/563334118.db2.gz XJCUCUDCAZAILF-UHFFFAOYSA-N 1 0 397.342 3.545 20 0 GFADRO C[C@H]([NH2+]C[C@@H](O)c1ccc(S(C)(=O)=O)cc1)c1ccc(Br)cn1 ZINC000280375483 563334232 /nfs/dbraw/zinc/33/42/32/563334232.db2.gz KTLPXHAPLCZMCN-MEDUHNTESA-N 1 0 399.310 2.632 20 0 GFADRO Cc1ccc(Br)c(C(=O)NC2CCN(c3nccn3C)CC2)c1 ZINC000373508945 563340809 /nfs/dbraw/zinc/34/08/09/563340809.db2.gz JRVBLMFAVGEREN-UHFFFAOYSA-N 1 0 377.286 2.890 20 0 GFADRO O=C(Nc1cc(F)cc(F)c1Br)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000297957234 563340785 /nfs/dbraw/zinc/34/07/85/563340785.db2.gz XPCSTSHWMZBGQW-NSHDSACASA-N 1 0 392.244 2.696 20 0 GFADRO CCN(C[C@H](O)C(F)(F)F)C(=O)NC1CC[NH+](Cc2ccsc2)CC1 ZINC000373555388 563342499 /nfs/dbraw/zinc/34/24/99/563342499.db2.gz NUIDQJHDHNBVES-AWEZNQCLSA-N 1 0 379.448 2.667 20 0 GFADRO C[C@@H]1OCC[C@@H]1S(=O)(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccc(Cl)c1 ZINC000373668845 563345934 /nfs/dbraw/zinc/34/59/34/563345934.db2.gz WEPQSZOZHSEYKW-DHXZDTOLSA-N 1 0 386.945 2.820 20 0 GFADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)c3cnnn3-c3c(Cl)cccc3Cl)C[C@@H]21 ZINC000373703128 563347637 /nfs/dbraw/zinc/34/76/37/563347637.db2.gz SOUHHLAUERZYHB-ABAIWWIYSA-N 1 0 380.279 2.740 20 0 GFADRO O=C(Nc1cccc(Br)c1)C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000373733761 563349078 /nfs/dbraw/zinc/34/90/78/563349078.db2.gz ZFUZGMVUHWMOGZ-UHFFFAOYSA-N 1 0 380.286 2.521 20 0 GFADRO C[C@@H]1C[N@H+](CCC(=O)Nc2cccc(Br)c2)C[C@]2(CCOC2)O1 ZINC000373797945 563351042 /nfs/dbraw/zinc/35/10/42/563351042.db2.gz PZDKOULRCFLEBU-DYVFJYSZSA-N 1 0 383.286 2.658 20 0 GFADRO Cn1nc(Br)cc1C(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1cccs1 ZINC000373794906 563351359 /nfs/dbraw/zinc/35/13/59/563351359.db2.gz KAKYCCPOPNRXNL-IINYFYTJSA-N 1 0 383.315 2.667 20 0 GFADRO C[C@H]([NH2+]C[C@@H]1CCO[C@H](C)C1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000280736834 563352013 /nfs/dbraw/zinc/35/20/13/563352013.db2.gz ORZUMINZGBQRCZ-GRYCIOLGSA-N 1 0 391.331 2.562 20 0 GFADRO C[C@H](CNC(=O)C(=O)N1CCC2(CC[NH2+]2)CC1)c1c(Cl)cccc1Cl ZINC000422964062 563352543 /nfs/dbraw/zinc/35/25/43/563352543.db2.gz HPJCIWFGJCSVOD-GFCCVEGCSA-N 1 0 384.307 2.568 20 0 GFADRO CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000423013225 563352943 /nfs/dbraw/zinc/35/29/43/563352943.db2.gz MHOGNBZEGHEYRU-KGLIPLIRSA-N 1 0 383.945 2.598 20 0 GFADRO [NH3+][C@H](C(=O)NCC1(c2cccc(Br)c2)CCOCC1)C1CCC1 ZINC000423048638 563352948 /nfs/dbraw/zinc/35/29/48/563352948.db2.gz IZEPWJBJRRYWPJ-INIZCTEOSA-N 1 0 381.314 2.741 20 0 GFADRO COc1cc(Br)ccc1CCC[NH2+][C@@H](C1CC1)[C@H]1CNCCO1 ZINC000423036532 563353322 /nfs/dbraw/zinc/35/33/22/563353322.db2.gz UHCCSTKQFPRGCD-MSOLQXFVSA-N 1 0 383.330 2.747 20 0 GFADRO CN(C[C@H](O)c1cccc(Br)c1)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000298398950 563353806 /nfs/dbraw/zinc/35/38/06/563353806.db2.gz VPVHNOMHZNXMOO-DYVFJYSZSA-N 1 0 396.329 2.608 20 0 GFADRO CC1(C)CCC[NH2+][C@@H]1C(=O)NCCC(=O)Nc1ccc(Br)cc1 ZINC000423051589 563354087 /nfs/dbraw/zinc/35/40/87/563354087.db2.gz OQSPCLTXQFOCGA-OAHLLOKOSA-N 1 0 382.302 2.672 20 0 GFADRO CC(C)[C@@H](C(=O)N1CCN(C(=O)c2c(Cl)cccc2Cl)CC1)[C@@H](C)[NH3+] ZINC000423066742 563354120 /nfs/dbraw/zinc/35/41/20/563354120.db2.gz XRFSZSJASJWOSA-IUODEOHRSA-N 1 0 386.323 2.897 20 0 GFADRO O=S(=O)(c1c(Cl)cc(F)cc1Br)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000373886478 563354163 /nfs/dbraw/zinc/35/41/63/563354163.db2.gz SYSNQPXOFZZUEC-QPUJVOFHSA-N 1 0 397.697 2.614 20 0 GFADRO COC[C@]1(C(=O)NCC2(c3cccc(Br)c3)CCC2)CC[NH2+]C1 ZINC000423054601 563354170 /nfs/dbraw/zinc/35/41/70/563354170.db2.gz BWZLQXOZNSABBC-SFHVURJKSA-N 1 0 381.314 2.613 20 0 GFADRO [NH3+]CCCCn1cc(C(=O)N2CCC[C@H]2c2ccc(Br)cc2)nn1 ZINC000423059564 563354184 /nfs/dbraw/zinc/35/41/84/563354184.db2.gz FVJKIAOTUWXPLQ-INIZCTEOSA-N 1 0 392.301 2.757 20 0 GFADRO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N(C)[C@@H](C)c2ccc(Cl)cc2Cl)C1 ZINC000423091892 563354479 /nfs/dbraw/zinc/35/44/79/563354479.db2.gz ZMMIJBVLTATURD-STQMWFEESA-N 1 0 386.323 2.971 20 0 GFADRO Cc1nn(CCS(C)(=O)=O)c(C)c1C[N@H+]1C[C@@H](c2ccsc2)C[C@@H]1C ZINC000373898976 563354451 /nfs/dbraw/zinc/35/44/51/563354451.db2.gz IIRYNNQHVSHGNZ-GUYCJALGSA-N 1 0 381.567 2.984 20 0 GFADRO C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000423080446 563354523 /nfs/dbraw/zinc/35/45/23/563354523.db2.gz BPWUMWGTRHTFBK-AGIUHOORSA-N 1 0 384.307 2.581 20 0 GFADRO C[C@H](C[C@H]1COCC[NH2+]1)NCc1ccc(Cl)cc1I ZINC000423091431 563354640 /nfs/dbraw/zinc/35/46/40/563354640.db2.gz XCBFILSLRKSACV-MFKMUULPSA-N 1 0 394.684 2.801 20 0 GFADRO C[N@H+]1C[C@H]2CN(C(=O)CCCC(=O)c3ccc(Br)cc3)C[C@H]2C1 ZINC000373896275 563354906 /nfs/dbraw/zinc/35/49/06/563354906.db2.gz QSPLJXPQORQEGQ-GASCZTMLSA-N 1 0 379.298 2.822 20 0 GFADRO Cc1nn(CCS(C)(=O)=O)c(C)c1C[N@H+]1C[C@H](c2cccs2)C[C@@H]1C ZINC000373900363 563355000 /nfs/dbraw/zinc/35/50/00/563355000.db2.gz QBMFOQOIXJQRPI-XJKSGUPXSA-N 1 0 381.567 2.984 20 0 GFADRO CN(CC(C)(C)C[NH3+])C(=O)C(=O)N(Cc1ccc(Cl)c(Cl)c1)C1CC1 ZINC000423170851 563357661 /nfs/dbraw/zinc/35/76/61/563357661.db2.gz MYQGZJLZCXCEEB-UHFFFAOYSA-N 1 0 386.323 2.928 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N(Cc2ccc(Cl)c(Cl)c2)C2CC2)C1 ZINC000423170503 563357922 /nfs/dbraw/zinc/35/79/22/563357922.db2.gz MFUCOPHFWKSSOM-YPMHNXCESA-N 1 0 384.307 2.680 20 0 GFADRO COc1ccc(Br)cc1C[C@H](CO)CN[C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000423161696 563357961 /nfs/dbraw/zinc/35/79/61/563357961.db2.gz OCKQVIVGUOYHPS-KEYYUXOJSA-N 1 0 385.346 2.729 20 0 GFADRO CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N(C)Cc2c(Cl)cccc2Cl)C1 ZINC000298526020 563358914 /nfs/dbraw/zinc/35/89/14/563358914.db2.gz ZWEOLPWZZLHEQN-CYBMUJFWSA-N 1 0 386.323 2.752 20 0 GFADRO O=C(CC[NH2+][C@H]1CCC(=O)NC12CCC2)Nc1ccccc1Br ZINC000298574871 563360361 /nfs/dbraw/zinc/36/03/61/563360361.db2.gz QQVVNKQEODPEHW-AWEZNQCLSA-N 1 0 380.286 2.569 20 0 GFADRO NC(=O)c1cnn2c1C[C@H](C[NH2+][C@@H]1CCc3cc(Br)ccc31)CC2 ZINC000280913841 563360885 /nfs/dbraw/zinc/36/08/85/563360885.db2.gz GSNYEQALFMYIFE-BDJLRTHQSA-N 1 0 389.297 2.584 20 0 GFADRO C[C@H]([NH2+]CC1(S(C)(=O)=O)CCC1)c1ccccc1I ZINC000280945984 563361767 /nfs/dbraw/zinc/36/17/67/563361767.db2.gz JERXARNTNVKBKD-NSHDSACASA-N 1 0 393.290 2.909 20 0 GFADRO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N2CCc3cc(Cl)c(Cl)cc3[C@H]2C)C1 ZINC000423569628 563361850 /nfs/dbraw/zinc/36/18/50/563361850.db2.gz YKDNPWCQQSHRPW-NEPJUHHUSA-N 1 0 384.307 2.507 20 0 GFADRO [NH3+][C@H]1CCCN(C(=O)C(=O)N2CCC(c3ccc(Cl)cc3Cl)CC2)C1 ZINC000423641872 563362786 /nfs/dbraw/zinc/36/27/86/563362786.db2.gz LBLRCGSWGATKQT-AWEZNQCLSA-N 1 0 384.307 2.649 20 0 GFADRO CN(CCOc1ccc(Br)cc1)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000298678625 563363081 /nfs/dbraw/zinc/36/30/81/563363081.db2.gz NQWKEATVMOCBOH-AWEZNQCLSA-N 1 0 396.329 2.954 20 0 GFADRO Brc1ccc2ncc(C[NH2+][C@H]3CCCN(c4ccncn4)C3)n2c1 ZINC000374146883 563363149 /nfs/dbraw/zinc/36/31/49/563363149.db2.gz YDUCQDUGNRYUHW-AWEZNQCLSA-N 1 0 387.285 2.645 20 0 GFADRO [NH3+]CC[C@@H](NC(=O)c1cc2sc(N3CCCC3)nc2s1)C(F)(F)F ZINC000423733012 563363329 /nfs/dbraw/zinc/36/33/29/563363329.db2.gz BCGQHJCCACDBGN-SNVBAGLBSA-N 1 0 378.445 2.968 20 0 GFADRO [NH2+]=C(NO)[C@@H]1CCCCN1Cc1nc(-c2cc(Br)cs2)no1 ZINC000374172084 563364091 /nfs/dbraw/zinc/36/40/91/563364091.db2.gz HFTOIOXPIBWZMR-VIFPVBQESA-N 1 0 386.275 2.871 20 0 GFADRO CN(Cc1ccc(Br)cc1Cl)C(=O)COC1CC[NH2+]CC1 ZINC000423871311 563364315 /nfs/dbraw/zinc/36/43/15/563364315.db2.gz JWOLSGGKBGSAHA-UHFFFAOYSA-N 1 0 375.694 2.830 20 0 GFADRO Cc1cc(N2CC[C@H](NC(=O)[C@H](C(C)C)[C@H](C)[NH3+])C2=O)ccc1Br ZINC000423845722 563364388 /nfs/dbraw/zinc/36/43/88/563364388.db2.gz OMQGHZMNLXQRJH-VBNZEHGJSA-N 1 0 396.329 2.598 20 0 GFADRO Cc1c(C(=O)N[C@H](C[NH3+])C2CCCC2)nnn1-c1cccc(Br)c1 ZINC000423952542 563364914 /nfs/dbraw/zinc/36/49/14/563364914.db2.gz JBBRPHAVEONGPU-OAHLLOKOSA-N 1 0 392.301 2.586 20 0 GFADRO O=C(N[C@@H]1C[NH2+]C[C@H]1c1ccccc1)c1csc(I)c1 ZINC000423975038 563366298 /nfs/dbraw/zinc/36/62/98/563366298.db2.gz NUQWSZPZOPXDHP-QWHCGFSZSA-N 1 0 398.269 2.838 20 0 GFADRO O=C(Cc1ccc(I)cc1)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000423983930 563366465 /nfs/dbraw/zinc/36/64/65/563366465.db2.gz VWJBNENYCOSHEI-HOCLYGCPSA-N 1 0 398.288 2.824 20 0 GFADRO O=C(Cc1cccc(I)c1)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000423976872 563366474 /nfs/dbraw/zinc/36/64/74/563366474.db2.gz PLBWIAKJTWFSGS-ZBFHGGJFSA-N 1 0 398.288 2.824 20 0 GFADRO COc1ccc(Br)c(CC(=O)N2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c1 ZINC000423978852 563366525 /nfs/dbraw/zinc/36/65/25/563366525.db2.gz QXGIGDXDHILSGG-SUMWQHHRSA-N 1 0 381.314 2.991 20 0 GFADRO C[C@@H]1CCN(C(=O)CNC(=O)c2sc3ccccc3c2Cl)C[C@@H]1C[NH3+] ZINC000424000696 563367080 /nfs/dbraw/zinc/36/70/80/563367080.db2.gz OMEUNSUNZHEYDX-NEPJUHHUSA-N 1 0 379.913 2.728 20 0 GFADRO [NH3+]Cc1cn([C@H]2CCCN(C(=O)c3ccc(Br)cc3Cl)C2)nn1 ZINC000424009733 563367129 /nfs/dbraw/zinc/36/71/29/563367129.db2.gz YLWMESDJYMPKKS-LBPRGKRZSA-N 1 0 398.692 2.630 20 0 GFADRO CCSc1ccc(Cl)cc1C(=O)N1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000424002401 563367230 /nfs/dbraw/zinc/36/72/30/563367230.db2.gz OFUKFMZQHZOJAR-AWEZNQCLSA-N 1 0 379.917 2.980 20 0 GFADRO CCOc1c(Br)cc(CN2CC[C@@H]3NC(=O)OC[C@H]3C2)cc1OC ZINC000281119877 563367253 /nfs/dbraw/zinc/36/72/53/563367253.db2.gz CAQBDQXZXTWWLS-OCCSQVGLSA-N 1 0 399.285 2.787 20 0 GFADRO CS(=O)(=O)N1CCN(C[C@@H](O)c2ccc(Cl)cc2)Cc2ccccc21 ZINC000374310802 563367434 /nfs/dbraw/zinc/36/74/34/563367434.db2.gz NEZOIRWREOFABQ-GOSISDBHSA-N 1 0 380.897 2.655 20 0 GFADRO C[NH+](C)CC1(NC(=O)c2ccc(F)cc2I)CCC1 ZINC000281144070 563367802 /nfs/dbraw/zinc/36/78/02/563367802.db2.gz VMQLCHDARREWMF-UHFFFAOYSA-N 1 0 376.213 2.644 20 0 GFADRO C[NH2+]CCCN(C)C(=O)c1ccc(NC(=O)c2ccc(Br)o2)cc1 ZINC000424032375 563367892 /nfs/dbraw/zinc/36/78/92/563367892.db2.gz KRYBOKUKVJEBJM-UHFFFAOYSA-N 1 0 394.269 2.976 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2C(=O)c1cc(F)cc(Br)c1 ZINC000374412167 563371232 /nfs/dbraw/zinc/37/12/32/563371232.db2.gz QHIVWPJSWKJWNZ-BZUAXINKSA-N 1 0 385.277 2.912 20 0 GFADRO CCOC[C@H]([NH2+][C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1)C(C)C ZINC000281270640 563371307 /nfs/dbraw/zinc/37/13/07/563371307.db2.gz YONXCFJBXFZFJJ-FZMZJTMJSA-N 1 0 393.347 2.808 20 0 GFADRO CCOC[C@@H]([NH2+][C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1)C(C)C ZINC000281270654 563371384 /nfs/dbraw/zinc/37/13/84/563371384.db2.gz YONXCFJBXFZFJJ-SMDDNHRTSA-N 1 0 393.347 2.808 20 0 GFADRO C[C@@H](CNC(=O)N(C)C[C@H](O)c1cccc(Br)c1)[N@H+](C)C1CC1 ZINC000298955493 563371554 /nfs/dbraw/zinc/37/15/54/563371554.db2.gz QCOHXZGUUZXOEQ-LRDDRELGSA-N 1 0 384.318 2.607 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2CC(=O)Nc1ccccc1Br ZINC000374429079 563371983 /nfs/dbraw/zinc/37/19/83/563371983.db2.gz NYSTVITUYWJPDJ-KBRIMQKVSA-N 1 0 396.329 2.571 20 0 GFADRO CN1CC[C@@H](C[NH2+]Cc2nc(-c3ccc(Br)cc3)c[nH]2)CC1=O ZINC000424190833 563372074 /nfs/dbraw/zinc/37/20/74/563372074.db2.gz PCDDQEQXFYPPOD-GFCCVEGCSA-N 1 0 377.286 2.797 20 0 GFADRO O=C(C[C@@H]1Sc2ccc(Cl)cc2NC1=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000298986786 563372327 /nfs/dbraw/zinc/37/23/27/563372327.db2.gz IDJLJBBXLYFQPA-INWMFGNUSA-N 1 0 379.913 2.886 20 0 GFADRO O=C(c1ccc(I)c(F)c1)N1CCC2(C1)CC[NH2+]CC2 ZINC000374515867 563374731 /nfs/dbraw/zinc/37/47/31/563374731.db2.gz XBCLNLXDGMHCBJ-UHFFFAOYSA-N 1 0 388.224 2.646 20 0 GFADRO COC(=O)CC1CC([NH2+]Cc2nnc3c(Cl)cc(C(F)(F)F)cn23)C1 ZINC000424268127 563374974 /nfs/dbraw/zinc/37/49/74/563374974.db2.gz ZFAMWRSLKFPRDW-UHFFFAOYSA-N 1 0 376.766 2.833 20 0 GFADRO O=C1CCc2cc(Cl)c(S(=O)(=O)N3CC[C@H](C[NH+]4CCCC4)C3)cc21 ZINC000374543619 563375039 /nfs/dbraw/zinc/37/50/39/563375039.db2.gz NFTCLJPCEDDGGX-CYBMUJFWSA-N 1 0 382.913 2.575 20 0 GFADRO Cn1cc([C@@H]2CN(C(=O)CCCc3ccc(Br)s3)C[C@H]2[NH3+])cn1 ZINC000424251420 563375089 /nfs/dbraw/zinc/37/50/89/563375089.db2.gz ZQMWTTVKSMHNTD-UONOGXRCSA-N 1 0 397.342 2.520 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)c3cnn(-c4ccc(Br)cc4)c3)C[C@H]21 ZINC000374623001 563377993 /nfs/dbraw/zinc/37/79/93/563377993.db2.gz MMKVQPCIGAHZDS-CSMYWGQOSA-N 1 0 389.297 2.834 20 0 GFADRO C[NH+]1CCN(c2ncccc2CNC(=O)c2cccc(Br)c2)CC1 ZINC000299277025 563379745 /nfs/dbraw/zinc/37/97/45/563379745.db2.gz RQWOWZOCZXSTNC-UHFFFAOYSA-N 1 0 389.297 2.526 20 0 GFADRO C[C@@H](C(F)(F)F)S(=O)(=O)N1CCC2(C[C@@H]2N(C)Cc2nccs2)CC1 ZINC000374731494 563381450 /nfs/dbraw/zinc/38/14/50/563381450.db2.gz BLTXFKCDXQFNAN-RYUDHWBXSA-N 1 0 397.488 2.710 20 0 GFADRO CS(=O)(=O)N1CC[C@@H](C[N@@H+]2CCC[C@@H]2c2ccc(Br)cc2)C1 ZINC000374772878 563382360 /nfs/dbraw/zinc/38/23/60/563382360.db2.gz ALDQJAIQDVOWTM-XJKSGUPXSA-N 1 0 387.343 2.868 20 0 GFADRO CN(C(=O)Cc1noc2ccc(Br)cc21)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000424658360 563385383 /nfs/dbraw/zinc/38/53/83/563385383.db2.gz DXQLZMXRYSMRSW-CYBMUJFWSA-N 1 0 378.270 2.828 20 0 GFADRO CCN1CC[NH+](CCCCNC(=O)c2cc(Br)c(C)s2)CC1 ZINC000424662153 563386162 /nfs/dbraw/zinc/38/61/62/563386162.db2.gz XHXQCYUAHWPEDG-UHFFFAOYSA-N 1 0 388.375 2.967 20 0 GFADRO C[N@H+]1CC=C(CNC(=O)[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)CC1 ZINC000375004327 563387678 /nfs/dbraw/zinc/38/76/78/563387678.db2.gz MNKSVWHBWUUSRE-CQSZACIVSA-N 1 0 382.291 2.724 20 0 GFADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)c3cnn(-c4ccc(Br)cc4)c3)C[C@@H]21 ZINC000375014286 563387993 /nfs/dbraw/zinc/38/79/93/563387993.db2.gz AQBSKCUDTWYCFX-DYVFJYSZSA-N 1 0 389.297 2.801 20 0 GFADRO Brc1cnc(CN2CCC[C@H]3C[NH2+]C[C@H]32)c(Br)c1 ZINC000299924248 563391360 /nfs/dbraw/zinc/39/13/60/563391360.db2.gz ZFIRQVLBFPYIMF-TVQRCGJNSA-N 1 0 375.108 2.790 20 0 GFADRO O=C(N[C@H]1CCOc2c(Br)cccc21)N1CC[NH+]2CCC1CC2 ZINC000375164192 563392976 /nfs/dbraw/zinc/39/29/76/563392976.db2.gz DJBUUKCXEGSPSV-HNNXBMFYSA-N 1 0 380.286 2.762 20 0 GFADRO C[C@@H]1CCC[C@H]1[NH2+]CCC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1Cl ZINC000282015714 563394414 /nfs/dbraw/zinc/39/44/14/563394414.db2.gz JXHIUVPDKWQDQM-IUODEOHRSA-N 1 0 387.933 2.697 20 0 GFADRO C[C@H]1CCC[C@@H]1[NH2+]CCC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1Cl ZINC000282015728 563394437 /nfs/dbraw/zinc/39/44/37/563394437.db2.gz JXHIUVPDKWQDQM-WFASDCNBSA-N 1 0 387.933 2.697 20 0 GFADRO C[NH+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CCOc3c(Br)cccc32)C1 ZINC000282058004 563395814 /nfs/dbraw/zinc/39/58/14/563395814.db2.gz ANFYTULSVCVBOI-SWLSCSKDSA-N 1 0 382.302 2.866 20 0 GFADRO CCCOc1c(Br)cc(C[NH2+][C@@H](CO)CCOC)cc1OC ZINC000282087381 563396986 /nfs/dbraw/zinc/39/69/86/563396986.db2.gz CGJHMNJHFHHQRU-CYBMUJFWSA-N 1 0 376.291 2.734 20 0 GFADRO CC(C)[N@H+](C)Cc1ccccc1CNc1cnn(C)c(=O)c1Br ZINC000301229654 563397135 /nfs/dbraw/zinc/39/71/35/563397135.db2.gz IGBKEXQWPNQEOK-UHFFFAOYSA-N 1 0 379.302 2.995 20 0 GFADRO Cn1ncc(NC2CC[NH+](Cc3ccc(F)cc3)CC2)c(Br)c1=O ZINC000301235111 563397311 /nfs/dbraw/zinc/39/73/11/563397311.db2.gz LEFJJBHFCULUCQ-UHFFFAOYSA-N 1 0 395.276 2.758 20 0 GFADRO [NH3+][C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(-c2ccc(Br)cc2)n[nH]1 ZINC000375252657 563397487 /nfs/dbraw/zinc/39/74/87/563397487.db2.gz LIUWUAMFUKMHQQ-ZSOGYDGISA-N 1 0 375.270 2.934 20 0 GFADRO CN(Cc1cc(Br)cs1)C(=O)C[N@@H+]1CC[C@@]2(C1)CCCOC2 ZINC000375302732 563398976 /nfs/dbraw/zinc/39/89/76/563398976.db2.gz LQPAYYJABCUBSO-MRXNPFEDSA-N 1 0 387.343 2.972 20 0 GFADRO CN(Cc1ccccc1Br)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000282207644 563401891 /nfs/dbraw/zinc/40/18/91/563401891.db2.gz MBSQZIMGKUBYSF-UHFFFAOYSA-N 1 0 397.361 2.617 20 0 GFADRO Cc1ccnc(C(=O)Nc2cc(Br)ccc2N(C)CC[NH+](C)C)n1 ZINC000425099032 563404611 /nfs/dbraw/zinc/40/46/11/563404611.db2.gz NPAQHMNRNWWONH-UHFFFAOYSA-N 1 0 392.301 2.798 20 0 GFADRO C[C@H](CO)[N@@H+]1CCCN(CC(=O)N[C@H](C)c2ccc(Cl)c(Cl)c2)CC1 ZINC000375481207 563406670 /nfs/dbraw/zinc/40/66/70/563406670.db2.gz DUPRBIXUGUWEDQ-ZIAGYGMSSA-N 1 0 388.339 2.559 20 0 GFADRO C[C@H](CC(=O)N1CCC[N@@H+]([C@H](C)CO)CC1)c1ccc(Br)cc1 ZINC000375495507 563407354 /nfs/dbraw/zinc/40/73/54/563407354.db2.gz NQXYANFGLNXCPL-HUUCEWRRSA-N 1 0 383.330 2.858 20 0 GFADRO Cc1ncc(CN2CC[C@@H]([NH2+]CC(=O)NCc3cccs3)[C@@H](C)C2)s1 ZINC000375510884 563408366 /nfs/dbraw/zinc/40/83/66/563408366.db2.gz DXAKAYOMAFLMOV-SUMWQHHRSA-N 1 0 378.567 2.629 20 0 GFADRO C[NH+]1CCC([C@@H]2CCN(S(=O)(=O)c3c(F)c(F)cc(F)c3F)C2)CC1 ZINC000282398062 563409984 /nfs/dbraw/zinc/40/99/84/563409984.db2.gz YRJCBHISHAUQJG-LLVKDONJSA-N 1 0 380.407 2.595 20 0 GFADRO COCC[NH+]1CCC(NC(=O)c2c(C)c(C)sc2Br)CC1 ZINC000282412931 563410524 /nfs/dbraw/zinc/41/05/24/563410524.db2.gz LAZBHGFWULFEFC-UHFFFAOYSA-N 1 0 375.332 2.968 20 0 GFADRO COc1cc2[nH+]ccc(NC[C@H](O)COCC3CC3)c2cc1Br ZINC000425217850 563412147 /nfs/dbraw/zinc/41/21/47/563412147.db2.gz CGDASUMEUALKKU-LBPRGKRZSA-N 1 0 381.270 2.627 20 0 GFADRO COc1cc2[nH+]ccc(N3CCC[C@@H](OCCO)C3)c2cc1Br ZINC000425234482 563414341 /nfs/dbraw/zinc/41/43/41/563414341.db2.gz XHMIMCBZAHDRNE-GFCCVEGCSA-N 1 0 381.270 2.984 20 0 GFADRO CNS(=O)(=O)c1ccc(NC[C@H](C)[N@@H+]2CCc3sccc3C2)c(F)c1 ZINC000301954011 563416844 /nfs/dbraw/zinc/41/68/44/563416844.db2.gz KBMMEIYHFUFESZ-LBPRGKRZSA-N 1 0 383.514 2.654 20 0 GFADRO CNC(=O)[C@H]1CN(c2c(C)c(C)[nH+]c3ccc(Br)cc32)CCO1 ZINC000302033627 563419075 /nfs/dbraw/zinc/41/90/75/563419075.db2.gz DFPFOGUPCVJRCP-OAHLLOKOSA-N 1 0 378.270 2.565 20 0 GFADRO CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CCN(S(=O)(=O)c3cccs3)C2)C12CCC2 ZINC000375843153 563420367 /nfs/dbraw/zinc/42/03/67/563420367.db2.gz XCHHKJMNHWNWNZ-OWCLPIDISA-N 1 0 384.567 2.696 20 0 GFADRO CCCC[N@H+](C)CC1CCN(Cc2ccc(S(=O)(=O)N(C)C)s2)CC1 ZINC000425404648 563420487 /nfs/dbraw/zinc/42/04/87/563420487.db2.gz JZGRNXJSHJZSNT-UHFFFAOYSA-N 1 0 387.615 2.942 20 0 GFADRO CC[NH+]1CCN([C@H](C)CNc2ccnc3cc(Br)cnc32)CC1 ZINC000302086540 563420791 /nfs/dbraw/zinc/42/07/91/563420791.db2.gz FEOWIENUFRAJNK-CYBMUJFWSA-N 1 0 378.318 2.830 20 0 GFADRO CO[C@@H](C[NH+]1CCC(C(=O)Nc2ccc(Br)cn2)CC1)C1CC1 ZINC000425424894 563421754 /nfs/dbraw/zinc/42/17/54/563421754.db2.gz NYPRXCKCHRNRSE-HNNXBMFYSA-N 1 0 382.302 2.920 20 0 GFADRO C[C@@H]([NH2+]CC(=O)NCc1ccc(S(C)(=O)=O)cc1)c1cccc(Cl)c1 ZINC000425444624 563423219 /nfs/dbraw/zinc/42/32/19/563423219.db2.gz MNEVYOKVBPTUPH-CYBMUJFWSA-N 1 0 380.897 2.711 20 0 GFADRO COc1ccc([C@H](C)[NH2+][C@@H]2CCN(c3ccn(C)n3)C2=O)cc1Br ZINC000375958343 563425024 /nfs/dbraw/zinc/42/50/24/563425024.db2.gz CAMJNCGYVLXFDL-SMDDNHRTSA-N 1 0 393.285 2.647 20 0 GFADRO C[C@@H]1CN(c2ncnc3ccc(Br)cc32)CC[N@@H+]1CC(C)(C)O ZINC000302497711 563426289 /nfs/dbraw/zinc/42/62/89/563426289.db2.gz NFKDMGCTLTZTNE-GFCCVEGCSA-N 1 0 379.302 2.674 20 0 GFADRO COC(=O)[C@@H]1C[N@@H+]([C@@H]2CCCC[C@H]2O)C[C@H]1c1ccc(Br)cc1 ZINC000425521931 563426536 /nfs/dbraw/zinc/42/65/36/563426536.db2.gz UVZKOAURHGKRRG-YLFCFFPRSA-N 1 0 382.298 2.941 20 0 GFADRO CN(Cc1c(F)cccc1Cl)S(=O)(=O)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000376128496 563430886 /nfs/dbraw/zinc/43/08/86/563430886.db2.gz JRQBSILKXGBKGR-SUMWQHHRSA-N 1 0 389.924 2.620 20 0 GFADRO O=C1CCc2cc(Cl)c(S(=O)(=O)NCc3ccc4c(c3)C[NH2+]C4)cc21 ZINC000376155936 563432065 /nfs/dbraw/zinc/43/20/65/563432065.db2.gz MHNATWRJTIHHEZ-UHFFFAOYSA-N 1 0 376.865 2.551 20 0 GFADRO Ic1cnc(N[C@@H]2CC[N@H+](Cc3ccccc3)C2)nc1 ZINC000307662801 563433910 /nfs/dbraw/zinc/43/39/10/563433910.db2.gz YQRGRUPHHDWAFP-CQSZACIVSA-N 1 0 380.233 2.768 20 0 GFADRO CCCS(=O)(=O)N1CCC([NH2+]Cc2cc(F)cc(Br)c2)CC1 ZINC000312278029 563436053 /nfs/dbraw/zinc/43/60/53/563436053.db2.gz RRZMIXPUDGUBOP-UHFFFAOYSA-N 1 0 393.322 2.882 20 0 GFADRO Cn1cc(CN[C@@H]2CCS(=O)(=O)c3c(F)cccc32)c(C(F)(F)F)n1 ZINC000376319485 563437519 /nfs/dbraw/zinc/43/75/19/563437519.db2.gz PIZMTTPWXZZEFW-GFCCVEGCSA-N 1 0 377.363 2.586 20 0 GFADRO O=C(Nc1ncc(C(F)(F)F)s1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000283184081 563437957 /nfs/dbraw/zinc/43/79/57/563437957.db2.gz FAIQROCDTBZHHB-UHFFFAOYSA-N 1 0 378.420 2.738 20 0 GFADRO Cc1cc(C2CC[NH+](CC(=O)NC(=O)NC3CC3)CC2)ccc1Br ZINC000425929585 563440412 /nfs/dbraw/zinc/44/04/12/563440412.db2.gz MQCQQXXQFCGDNX-UHFFFAOYSA-N 1 0 394.313 2.925 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CN(C(=O)c2ccc(Br)c(C(F)(F)F)c2)CCO1 ZINC000317141677 563442309 /nfs/dbraw/zinc/44/23/09/563442309.db2.gz FJCJKOCNDLEENW-UFBFGSQYSA-N 1 0 381.192 2.656 20 0 GFADRO CCOc1ccc(Br)cc1S(=O)(=O)NCC1(C)CC[NH2+]CC1 ZINC000318076673 563442995 /nfs/dbraw/zinc/44/29/95/563442995.db2.gz WLKMOWBSBONZHF-UHFFFAOYSA-N 1 0 391.331 2.516 20 0 GFADRO [NH3+][C@H]1CN(C(=O)c2cc(Br)ccc2O)C[C@@H]1c1ccc(F)cc1 ZINC000376508027 563444833 /nfs/dbraw/zinc/44/48/33/563444833.db2.gz YVWIVKSLQLKQMN-CABCVRRESA-N 1 0 379.229 2.861 20 0 GFADRO O[C@@H](C[NH2+]CCCn1cc(Br)cn1)COc1ccc(Cl)cc1 ZINC000319090347 563445113 /nfs/dbraw/zinc/44/51/13/563445113.db2.gz MXKXMRUAFWXZIU-AWEZNQCLSA-N 1 0 388.693 2.719 20 0 GFADRO O[C@@H](C[NH2+]C[C@@H]1Cc2ccccc2O1)COc1ccc(Br)cc1 ZINC000320991679 563447017 /nfs/dbraw/zinc/44/70/17/563447017.db2.gz MRCFYTIOEOZVQZ-RDJZCZTQSA-N 1 0 378.266 2.782 20 0 GFADRO [NH3+]C[C@@H]1CCCC[C@@]12NC(=O)N(Cc1ccc(Br)cc1F)C2=O ZINC000321128026 563447987 /nfs/dbraw/zinc/44/79/87/563447987.db2.gz CWOLNTUPNXTPPU-MEDUHNTESA-N 1 0 384.249 2.528 20 0 GFADRO C[C@@H](O)C[C@H]1CCCC[N@@H+]1Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000323598367 563451766 /nfs/dbraw/zinc/45/17/66/563451766.db2.gz HXGPTEFLHPHWSX-IUODEOHRSA-N 1 0 380.286 2.582 20 0 GFADRO COCC[N@H+](Cc1cc(Br)c2c(c1)OCCCO2)[C@@H]1CCOC1 ZINC000426540848 563452713 /nfs/dbraw/zinc/45/27/13/563452713.db2.gz QSWBBQRIRGOAPO-CQSZACIVSA-N 1 0 386.286 2.848 20 0 GFADRO COc1ccc(Br)cc1C(=O)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000326488658 563455381 /nfs/dbraw/zinc/45/53/81/563455381.db2.gz FMVIEOVIKNZWHS-OAHLLOKOSA-N 1 0 397.313 2.785 20 0 GFADRO CC[C@@H](NC(=O)C(=O)NC1CC[NH+](CC2CC2)CC1)c1ccc(Cl)s1 ZINC000283867206 563457629 /nfs/dbraw/zinc/45/76/29/563457629.db2.gz BTOOEYOCRDJIQZ-CQSZACIVSA-N 1 0 383.945 2.959 20 0 GFADRO O=S(=O)(c1ccccc1OC(F)(F)F)N1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000327741378 563459415 /nfs/dbraw/zinc/45/94/15/563459415.db2.gz NYGXGPRQKAGVIO-STQMWFEESA-N 1 0 378.416 2.880 20 0 GFADRO [NH3+]C[C@H]1Cc2ccccc2N(S(=O)(=O)c2ccc(F)cc2Br)C1 ZINC000328498460 563460937 /nfs/dbraw/zinc/46/09/37/563460937.db2.gz RVNBDFNBVDOOJI-LLVKDONJSA-N 1 0 399.285 2.915 20 0 GFADRO C[C@H](C(=O)Nc1ccc(Br)cc1)[N@@H+]1CCC[C@@H]1[C@@H]1COCC[C@@H]1O ZINC000328696856 563463026 /nfs/dbraw/zinc/46/30/26/563463026.db2.gz DJPQGXIHTNSZNU-ZFVVBOAOSA-N 1 0 397.313 2.638 20 0 GFADRO O[C@@H]1CCOC[C@@H]1[C@@H]1CCC[N@@H+]1Cc1cc2c(c(Br)c1)OCO2 ZINC000328693444 563463398 /nfs/dbraw/zinc/46/33/98/563463398.db2.gz COIMXTYXTOUGHB-VHDGCEQUSA-N 1 0 384.270 2.540 20 0 GFADRO O=C(C[C@H]1CCC[NH2+]CC1)N[C@H]1CCN(c2ccccc2Br)C1 ZINC000427293643 563464910 /nfs/dbraw/zinc/46/49/10/563464910.db2.gz DFRLRFQGZQDOOO-GJZGRUSLSA-N 1 0 380.330 2.924 20 0 GFADRO COC(=O)[C@H](NC(=O)C[C@@H]1CCC[NH2+]CC1)c1ccc(Br)cc1 ZINC000427356859 563465981 /nfs/dbraw/zinc/46/59/81/563465981.db2.gz JFLWKFCMNWIWSG-MLGOLLRUSA-N 1 0 383.286 2.559 20 0 GFADRO CC(C)[NH+]1CCC(C(=O)N(CCO)Cc2cc(Br)cs2)CC1 ZINC000427550643 563469370 /nfs/dbraw/zinc/46/93/70/563469370.db2.gz SHIDXEJHFVUTBW-UHFFFAOYSA-N 1 0 389.359 2.952 20 0 GFADRO Cc1cc(C[NH2+][C@@H]2CC(=O)N(C)[C@H]2c2ccnn2C)ccc1Br ZINC000284439498 563474952 /nfs/dbraw/zinc/47/49/52/563474952.db2.gz FKGUAIZUASLIGH-RHSMWYFYSA-N 1 0 377.286 2.553 20 0 GFADRO O=C(NC1CCN(Cc2cccc(I)c2)CC1)C1CC1 ZINC000284464098 563476283 /nfs/dbraw/zinc/47/62/83/563476283.db2.gz VGAQAXZJZZQGBZ-UHFFFAOYSA-N 1 0 384.261 2.782 20 0 GFADRO O=C(CSCc1ccc(Br)cc1F)NCC1CC[NH2+]CC1 ZINC000428124480 563483265 /nfs/dbraw/zinc/48/32/65/563483265.db2.gz JWIOTHNGQXLXAO-UHFFFAOYSA-N 1 0 375.307 2.937 20 0 GFADRO CC(C)[N@@H+]1CCc2nc(CN3CC[C@@H](C(F)(F)F)[C@H](CO)C3)sc2C1 ZINC000377691464 563483431 /nfs/dbraw/zinc/48/34/31/563483431.db2.gz AAUVBFKIHSBYNA-QWHCGFSZSA-N 1 0 377.476 2.902 20 0 GFADRO CCCOc1c(Br)cc(C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1OC ZINC000377746922 563485737 /nfs/dbraw/zinc/48/57/37/563485737.db2.gz QASHOCYRWOZATK-TZMCWYRMSA-N 1 0 397.313 2.928 20 0 GFADRO CC(C)(C)NC(=O)NC(=O)C[NH2+][C@H](c1cncc(Br)c1)C1CC1 ZINC000284689275 563486155 /nfs/dbraw/zinc/48/61/55/563486155.db2.gz HVYVKKXKQSVLAD-AWEZNQCLSA-N 1 0 383.290 2.509 20 0 GFADRO O=C(CN1CCC[N@@H+](C2CCOCC2)CC1)Nc1ccc(Br)cc1 ZINC000377777862 563486294 /nfs/dbraw/zinc/48/62/94/563486294.db2.gz WTXSENIGBPGMJB-UHFFFAOYSA-N 1 0 396.329 2.574 20 0 GFADRO O[C@@H]1CCOC[C@@H]1[C@@H]1CCC[N@@H+]1Cc1nc2ccc(Br)cc2o1 ZINC000329824456 563489353 /nfs/dbraw/zinc/48/93/53/563489353.db2.gz QPAVHDQFDSGOGB-VHDGCEQUSA-N 1 0 381.270 2.952 20 0 GFADRO O=C(NCCc1nc(C(F)(F)F)cs1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000377891911 563490368 /nfs/dbraw/zinc/49/03/68/563490368.db2.gz ATNZBZIAHWASFT-LBPRGKRZSA-N 1 0 376.448 2.974 20 0 GFADRO COC(=O)c1ccc(C[N@@H+]2CC[C@H](c3nccn3C)C2)c(Br)c1 ZINC000377886907 563490405 /nfs/dbraw/zinc/49/04/05/563490405.db2.gz BHDHYAPOWSOVHU-AWEZNQCLSA-N 1 0 378.270 2.959 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)N2CCC(n3cc(Br)cn3)CC2)C[N@@H+]1C1CC1 ZINC000378055717 563494914 /nfs/dbraw/zinc/49/49/14/563494914.db2.gz TUQVCUAJQLJGIX-TZMCWYRMSA-N 1 0 396.333 2.617 20 0 GFADRO Cc1[nH]nc2ncc(C[NH2+]C[C@@H](CO)Cc3ccc(Br)cc3)cc12 ZINC000428544545 563495297 /nfs/dbraw/zinc/49/52/97/563495297.db2.gz HMELHSGGTMQINP-HNNXBMFYSA-N 1 0 389.297 2.970 20 0 GFADRO CC[C@@H](C(=O)N[C@@H](C)c1ccc(Br)cc1OCCCO)[NH+](C)C ZINC000428589962 563497006 /nfs/dbraw/zinc/49/70/06/563497006.db2.gz NOUHWRIGPZBLSA-WFASDCNBSA-N 1 0 387.318 2.728 20 0 GFADRO O=C(c1cc2c(c(Br)c1)OCO2)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000378225431 563499154 /nfs/dbraw/zinc/49/91/54/563499154.db2.gz JXBRQCOUAOLCOV-SMDDNHRTSA-N 1 0 381.270 2.782 20 0 GFADRO CCC[NH+]1CCN(C(=O)Nc2ccc(F)cc2I)CC1 ZINC000428782960 563501268 /nfs/dbraw/zinc/50/12/68/563501268.db2.gz HHIZLJVKMGKPLA-UHFFFAOYSA-N 1 0 391.228 2.990 20 0 GFADRO C[C@H](NC(=O)[C@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1)[C@H]1CCC[NH2+]C1 ZINC000428955040 563504916 /nfs/dbraw/zinc/50/49/16/563504916.db2.gz SYKIFEGAJKEZFU-AVGNSLFASA-N 1 0 384.307 2.851 20 0 GFADRO CN(C(=O)c1cccc(Br)n1)C1CCN(c2cc[nH+]cc2)CC1 ZINC000378381204 563505244 /nfs/dbraw/zinc/50/52/44/563505244.db2.gz WPAZGTHXGKTTAX-UHFFFAOYSA-N 1 0 375.270 2.980 20 0 GFADRO C[C@H]1C[C@H]1[N@@H+]1CCN([C@H](C(N)=O)c2cccc(Br)c2)C[C@@H](C)C1 ZINC000429023361 563508014 /nfs/dbraw/zinc/50/80/14/563508014.db2.gz UOLMDHKNASVIBQ-CLROSIBMSA-N 1 0 380.330 2.638 20 0 GFADRO COc1cc(Br)c(C[NH2+][C@@H]2CCN(c3cnn(C)c3)C2)c(OC)c1 ZINC000378474743 563508487 /nfs/dbraw/zinc/50/84/87/563508487.db2.gz NAYBNLAQJZGBHQ-GFCCVEGCSA-N 1 0 395.301 2.568 20 0 GFADRO O=C(CCc1ccc(Br)cc1)Nc1ccc(N2CC[NH2+]CC2)cn1 ZINC000429041661 563508645 /nfs/dbraw/zinc/50/86/45/563508645.db2.gz BRRYJYRKPHVYPO-UHFFFAOYSA-N 1 0 389.297 2.825 20 0 GFADRO O=C1CNC(=O)N1CCC[NH2+][C@H](c1cc(Cl)ccc1Cl)[C@@H]1CCOC1 ZINC000378501515 563510052 /nfs/dbraw/zinc/51/00/52/563510052.db2.gz STJJWFSDEHEVRU-BZNIZROVSA-N 1 0 386.279 2.603 20 0 GFADRO CCc1nc(C(=O)N2CC[C@H]([NH3+])[C@H](C)C2)nn1-c1c(Cl)cccc1Cl ZINC000429156654 563510746 /nfs/dbraw/zinc/51/07/46/563510746.db2.gz LSALOCGECCCUCJ-MFKMUULPSA-N 1 0 382.295 2.946 20 0 GFADRO Cc1ccnc(NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)c1Br ZINC000429204144 563511941 /nfs/dbraw/zinc/51/19/41/563511941.db2.gz OONYJPZCMIRHGP-MRXNPFEDSA-N 1 0 376.298 2.984 20 0 GFADRO Cc1cc(CC(C)(C)[NH2+]CCC(=O)N2CCN(C)CC2)ccc1Br ZINC000429233596 563512235 /nfs/dbraw/zinc/51/22/35/563512235.db2.gz DZGANZYWODDVCL-UHFFFAOYSA-N 1 0 396.373 2.832 20 0 GFADRO CC1(C)CN(c2ccc(Cl)cc2)CC[N@@H+]1C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000429284339 563513304 /nfs/dbraw/zinc/51/33/04/563513304.db2.gz JXDHNGXKZJQNQI-HNNXBMFYSA-N 1 0 385.961 2.522 20 0 GFADRO CC1(C)Cc2ccc(Br)cc2[C@H]1[NH2+]CC(=O)NC1CCOCC1 ZINC000429289889 563513419 /nfs/dbraw/zinc/51/34/19/563513419.db2.gz FGJYYHIDOHFQOS-QGZVFWFLSA-N 1 0 381.314 2.957 20 0 GFADRO O=S(=O)(CC[NH2+][C@H]1Cc2cccc(O)c2C1)c1ccc(Br)cc1 ZINC000429304117 563514280 /nfs/dbraw/zinc/51/42/80/563514280.db2.gz FABRBAQIRWDBPZ-AWEZNQCLSA-N 1 0 396.306 2.685 20 0 GFADRO CC(C)c1n[nH]c(C(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)c1Br ZINC000330653351 563516224 /nfs/dbraw/zinc/51/62/24/563516224.db2.gz MGJAZUWHRCBICC-VXGBXAGGSA-N 1 0 387.322 2.525 20 0 GFADRO CC[NH+](CC)CC1CCN(S(=O)(=O)c2cccnc2C(F)(F)F)CC1 ZINC000330666860 563516552 /nfs/dbraw/zinc/51/65/52/563516552.db2.gz ILFLMHHSOSNIEB-UHFFFAOYSA-N 1 0 379.448 2.843 20 0 GFADRO CCN(CC)C(=O)C[C@@H](C)[NH2+]C[C@@H](CO)Cc1cccc(Br)c1 ZINC000429434770 563516850 /nfs/dbraw/zinc/51/68/50/563516850.db2.gz RRXQLKXTCUMJHD-ZBFHGGJFSA-N 1 0 385.346 2.837 20 0 GFADRO COC[C@H]([NH2+]C[C@H](CO)Cc1ccccc1Br)C1CCOCC1 ZINC000429458439 563516903 /nfs/dbraw/zinc/51/69/03/563516903.db2.gz WLUNGQQBVVURKB-KDOFPFPSSA-N 1 0 386.330 2.631 20 0 GFADRO C[C@@H]([NH3+])c1ccc(CNC(=O)c2cc(Br)cnc2N(C)C)cc1 ZINC000429488611 563517731 /nfs/dbraw/zinc/51/77/31/563517731.db2.gz JTMAFLZGKYXIKZ-LLVKDONJSA-N 1 0 377.286 2.860 20 0 GFADRO CC(C)[C@@H](NC(=O)c1ccccc1Br)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000429483443 563517809 /nfs/dbraw/zinc/51/78/09/563517809.db2.gz XYOYBPJZNVHLCQ-OAHLLOKOSA-N 1 0 398.345 2.647 20 0 GFADRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(C)(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000330747286 563519690 /nfs/dbraw/zinc/51/96/90/563519690.db2.gz WWEFJSRXVIVMMP-AWEZNQCLSA-N 1 0 386.945 2.693 20 0 GFADRO CC(C)[C@H]([NH3+])CCN(C)C(=O)c1cc(F)ccc1I ZINC000429608432 563519957 /nfs/dbraw/zinc/51/99/57/563519957.db2.gz GQIGTKSTWIURMO-CYBMUJFWSA-N 1 0 378.229 2.876 20 0 GFADRO CN(Cc1ccccc1Br)C(=O)CN(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285435754 563520823 /nfs/dbraw/zinc/52/08/23/563520823.db2.gz HURHRCLNWOBJHT-SJPCQFCGSA-N 1 0 394.357 2.965 20 0 GFADRO CC1(C)C[NH2+]CC[C@@H]1NS(=O)(=O)c1c(Cl)cccc1Br ZINC000390256278 563522673 /nfs/dbraw/zinc/52/26/73/563522673.db2.gz UVNGYESZUZNPQA-NSHDSACASA-N 1 0 381.723 2.769 20 0 GFADRO CC(C)[C@@H]([NH3+])c1cn(Cc2nnc(-c3ccccc3Br)o2)nn1 ZINC000391172952 563524742 /nfs/dbraw/zinc/52/47/42/563524742.db2.gz RQNZYZRJBKBYER-CQSZACIVSA-N 1 0 377.246 2.795 20 0 GFADRO CCC[NH+]1CCC(NC(=O)Nc2cc3ccc(Br)cn3n2)CC1 ZINC000429927647 563529363 /nfs/dbraw/zinc/52/93/63/563529363.db2.gz CQODGWOGVHXDJM-UHFFFAOYSA-N 1 0 380.290 3.093 20 0 GFADRO O=C(CC1CC[NH2+]CC1)NC1(c2ccc(Br)cc2)CCOCC1 ZINC000429958372 563530183 /nfs/dbraw/zinc/53/01/83/563530183.db2.gz NZVLWOMYAIJFCC-UHFFFAOYSA-N 1 0 381.314 2.961 20 0 GFADRO O=C(NC[C@@H]1C[N@@H+]2CCN1CCC2)c1ccc2cc(Br)ccc2c1 ZINC000394741800 563530288 /nfs/dbraw/zinc/53/02/88/563530288.db2.gz IZLOUCVGUQEVIV-GOSISDBHSA-N 1 0 388.309 2.722 20 0 GFADRO CCC(C)(C)[NH2+][C@@H](C)C(=O)NC[C@@H](CO)Cc1ccccc1Br ZINC000430131491 563534706 /nfs/dbraw/zinc/53/47/06/563534706.db2.gz YLJCNFBTCJMLCS-KBPBESRZSA-N 1 0 385.346 2.883 20 0 GFADRO C[NH+](C)C[C@H]1CCCCN1C(=O)c1ccc(I)c(O)c1 ZINC000405126416 563537613 /nfs/dbraw/zinc/53/76/13/563537613.db2.gz KRSMWRIUBZSSEN-GFCCVEGCSA-N 1 0 388.249 2.553 20 0 GFADRO C[C@H](C(=O)NC[C@@H](CO)Cc1ccc(Br)cc1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000430169258 563538115 /nfs/dbraw/zinc/53/81/15/563538115.db2.gz PCNMFQDTOUYFOX-DLTWYDFYSA-N 1 0 397.357 2.978 20 0 GFADRO C[C@H](C(=O)Nc1ccc(Br)cc1)N1C[C@H](N2CCOCC2)C[C@H]1C ZINC000285810149 563538375 /nfs/dbraw/zinc/53/83/75/563538375.db2.gz GHGQPXXYGDIVAS-CKEIUWERSA-N 1 0 396.329 2.571 20 0 GFADRO CCCS(=O)(=O)Nc1cc(NC(=O)[C@H]2CCC[C@@H]([NH3+])C2)c(F)cc1F ZINC000430231238 563539257 /nfs/dbraw/zinc/53/92/57/563539257.db2.gz XRYGHHRBMSCBSK-WDEREUQCSA-N 1 0 375.441 2.573 20 0 GFADRO CC[C@H]([NH3+])c1cn(Cc2cc(Cl)ccc2I)nn1 ZINC000405842034 563539877 /nfs/dbraw/zinc/53/98/77/563539877.db2.gz FYQKOBFSOZEEAF-NSHDSACASA-N 1 0 376.629 2.994 20 0 GFADRO CS(=O)(=O)N[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(F)c(Br)c1 ZINC000331208757 563540606 /nfs/dbraw/zinc/54/06/06/563540606.db2.gz ZXJJORKJAAOPIR-KGLIPLIRSA-N 1 0 379.295 2.538 20 0 GFADRO C[C@H]1C[C@@H](N2CCOCC2)C[N@@H+]1CCC(=O)Nc1ccccc1Br ZINC000285921337 563542318 /nfs/dbraw/zinc/54/23/18/563542318.db2.gz LGXBWRHMHIYINH-LSDHHAIUSA-N 1 0 396.329 2.573 20 0 GFADRO CC(C)N(C)C(=O)C[NH+]1CCC(C(=O)Nc2cccc(Br)c2)CC1 ZINC000331303017 563544891 /nfs/dbraw/zinc/54/48/91/563544891.db2.gz QJJSGRQHZGMCML-UHFFFAOYSA-N 1 0 396.329 2.966 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCCN(Cc2nc(Cc3cccc(Br)c3)no2)C1 ZINC000430550484 563545084 /nfs/dbraw/zinc/54/50/84/563545084.db2.gz GLMDDCCZDCZRSB-GXTWGEPZSA-N 1 0 379.302 2.982 20 0 GFADRO COC(=O)c1csc([C@H](C)[NH2+]CCN(C)S(=O)(=O)c2cccs2)c1 ZINC000286037753 563546663 /nfs/dbraw/zinc/54/66/63/563546663.db2.gz JNLRYNKKEOAUBD-NSHDSACASA-N 1 0 388.536 2.568 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCCCN1CC(=O)Nc1c(F)cc(F)cc1Br ZINC000430647375 563546882 /nfs/dbraw/zinc/54/68/82/563546882.db2.gz XTJCBIOZJMQZBE-TVQRCGJNSA-N 1 0 376.245 2.868 20 0 GFADRO COCCOCCOCCC[NH2+]Cc1ccc(OC)cc1Br ZINC000286119138 563549044 /nfs/dbraw/zinc/54/90/44/563549044.db2.gz URVFILMNHAXDLP-UHFFFAOYSA-N 1 0 376.291 2.617 20 0 GFADRO [NH3+][C@@H]1CCCCCC[C@H]1C(=O)NCc1nc2cc(Br)cnc2[nH]1 ZINC000430796296 563549042 /nfs/dbraw/zinc/54/90/42/563549042.db2.gz YGKHFUPHUOXDKA-VXGBXAGGSA-N 1 0 380.290 2.634 20 0 GFADRO C[C@H](NC(=O)[C@H]1CC[C@@H]([NH3+])C1)c1nc(-c2ccc(Br)cc2)no1 ZINC000430853833 563549457 /nfs/dbraw/zinc/54/94/57/563549457.db2.gz JBOLUGIQQHHNGD-XHVZSJERSA-N 1 0 379.258 2.804 20 0 GFADRO C[C@@H]([NH3+])C1CCN(CC(=O)Nc2c(F)cc(F)cc2Br)CC1 ZINC000430942434 563550239 /nfs/dbraw/zinc/55/02/39/563550239.db2.gz LVEIJZSITNZKSW-SECBINFHSA-N 1 0 376.245 2.725 20 0 GFADRO CC[C@H](c1ccc(Br)cc1)N1CCN(C(=O)[C@@H](C)C[NH2+]C)CC1 ZINC000430905603 563550324 /nfs/dbraw/zinc/55/03/24/563550324.db2.gz FYFMBYXRKUNCKY-WMLDXEAASA-N 1 0 382.346 2.900 20 0 GFADRO CCOC(=O)c1cc2cc(S(=O)(=O)NC(C)(C)CCC[NH3+])ccc2s1 ZINC000431043946 563552263 /nfs/dbraw/zinc/55/22/63/563552263.db2.gz GJIKFZCKNFAWCF-UHFFFAOYSA-N 1 0 384.523 2.874 20 0 GFADRO COCC[NH+](CCOC)C1CCN(c2ncc(Br)cc2C)CC1 ZINC000286251198 563553633 /nfs/dbraw/zinc/55/36/33/563553633.db2.gz DYKVHKPCYPHGNQ-UHFFFAOYSA-N 1 0 386.334 2.716 20 0 GFADRO CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)NCCc2cc(Cl)cc(Cl)c2)C1 ZINC000286464308 563560985 /nfs/dbraw/zinc/56/09/85/563560985.db2.gz KEDCVHKPNJMDAZ-AWEZNQCLSA-N 1 0 386.323 2.500 20 0 GFADRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)Cn2cc(Br)cn2)C1 ZINC000409453357 563561623 /nfs/dbraw/zinc/56/16/23/563561623.db2.gz NXTKEPALYGCHSO-BBRMVZONSA-N 1 0 377.286 2.597 20 0 GFADRO O[C@@]1(C[NH2+]Cc2ncc(I)s2)CCc2ccccc21 ZINC000286512661 563563500 /nfs/dbraw/zinc/56/35/00/563563500.db2.gz MVQJMWZWYWCSHR-CQSZACIVSA-N 1 0 386.258 2.671 20 0 GFADRO O=C(NC1CC[NH2+]CC1)N1CCO[C@H](c2cc(F)c(Cl)cc2Cl)C1 ZINC000331829817 563563591 /nfs/dbraw/zinc/56/35/91/563563591.db2.gz JKNQXAHACWSNQF-HNNXBMFYSA-N 1 0 376.259 2.967 20 0 GFADRO O=S(=O)(N[C@H]1CC[N@@H+](C2CCCC2)C1)c1ccc(OC(F)F)c(F)c1 ZINC000331920242 563566739 /nfs/dbraw/zinc/56/67/39/563566739.db2.gz JKEPVBHRFWKZJZ-NSHDSACASA-N 1 0 378.416 2.722 20 0 GFADRO O=S(=O)(c1cccnc1C(F)(F)F)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000286792431 563574949 /nfs/dbraw/zinc/57/49/49/563574949.db2.gz GYQSGZXBXLSXSU-ZDUSSCGKSA-N 1 0 377.432 2.739 20 0 GFADRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1S(=O)(=O)c1ccc2nc(Cl)cnc2c1 ZINC000286794512 563575085 /nfs/dbraw/zinc/57/50/85/563575085.db2.gz SKXBVVITCQHIEB-BLLLJJGKSA-N 1 0 380.901 2.531 20 0 GFADRO COc1ccc(Br)c(OCC(=O)NC2CC[NH+](C3CC3)CC2)c1 ZINC000432313265 563580663 /nfs/dbraw/zinc/58/06/63/563580663.db2.gz MFKQROITHWCCHG-UHFFFAOYSA-N 1 0 383.286 2.580 20 0 GFADRO O=C(Nc1cc(F)c(F)cc1I)N[C@@H]1CCCC[NH2+]C1 ZINC000332262530 563588686 /nfs/dbraw/zinc/58/86/86/563588686.db2.gz AYJLCTRAEBNQHE-MRVPVSSYSA-N 1 0 395.191 2.833 20 0 GFADRO Cc1cc(NC(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc(C)c1Br ZINC000332302642 563591480 /nfs/dbraw/zinc/59/14/80/563591480.db2.gz GFYBTTFQGCLPJN-NWANDNLSSA-N 1 0 394.313 2.590 20 0 GFADRO COC(=O)c1cccc(Br)c1CN1CC[N@H+](CC(C)(C)O)C[C@@H]1C ZINC000432795937 563593960 /nfs/dbraw/zinc/59/39/60/563593960.db2.gz ZMNLFBTVEFGXKG-ZDUSSCGKSA-N 1 0 399.329 2.513 20 0 GFADRO COc1cc(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)cc(Br)c1OC ZINC000332351893 563594875 /nfs/dbraw/zinc/59/48/75/563594875.db2.gz UZTRJPBRSBLEAF-ZIAGYGMSSA-N 1 0 383.286 2.823 20 0 GFADRO O=S1(=O)CC[C@H]([NH2+]CC2(O)CCCCC2)c2cc(Br)ccc21 ZINC000332349147 563594906 /nfs/dbraw/zinc/59/49/06/563594906.db2.gz MWTMAVCCMQBNEU-AWEZNQCLSA-N 1 0 388.327 2.952 20 0 GFADRO C[C@@H]1CN(C(=O)NC[C@H]2CCN(c3cccc(Br)c3)C2)CC[C@H]1[NH3+] ZINC000332353122 563594959 /nfs/dbraw/zinc/59/49/59/563594959.db2.gz RCJKGLBBEMFKPK-CKEIUWERSA-N 1 0 395.345 2.654 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000332373633 563595571 /nfs/dbraw/zinc/59/55/71/563595571.db2.gz SQDDPJURGLREPM-QEJZJMRPSA-N 1 0 394.313 2.590 20 0 GFADRO Cn1cc(Br)c(C(=O)N2CCC[N@H+](CC3CCCCC3)CC2)n1 ZINC000432880368 563596005 /nfs/dbraw/zinc/59/60/05/563596005.db2.gz XBOOCIKUNGTVCD-UHFFFAOYSA-N 1 0 383.334 2.911 20 0 GFADRO NS(=O)(=O)c1ccc(CNC2CC[NH+](CC3CCCC3)CC2)cc1Cl ZINC000332456767 563599658 /nfs/dbraw/zinc/59/96/58/563599658.db2.gz HMVHVEBXEKWQLT-UHFFFAOYSA-N 1 0 385.961 2.732 20 0 GFADRO CN(CCCN1CC[NH+](C)CC1)c1ccc(Br)c(C(F)(F)F)n1 ZINC000287455969 563602430 /nfs/dbraw/zinc/60/24/30/563602430.db2.gz RVCOIZITHYYMOX-UHFFFAOYSA-N 1 0 395.267 2.937 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)C[N@@H+]1CCC(C)(C)C1 ZINC000332561544 563603975 /nfs/dbraw/zinc/60/39/75/563603975.db2.gz ROKYJZYIHZFGNG-UHFFFAOYSA-N 1 0 396.329 2.886 20 0 GFADRO O=C([C@@H]1CCS(=O)(=O)C1)N(CCC[NH+]1CCCC1)c1ccc(Cl)cc1 ZINC000411102467 563605309 /nfs/dbraw/zinc/60/53/09/563605309.db2.gz OJCLDVBDFXELTC-OAHLLOKOSA-N 1 0 384.929 2.594 20 0 GFADRO OCC[N@H+](C[C@H](O)COc1ccc(Cl)cc1Cl)[C@@H]1CCCSC1 ZINC000433196961 563605853 /nfs/dbraw/zinc/60/58/53/563605853.db2.gz OGEDLKGMEPJKEE-KGLIPLIRSA-N 1 0 380.337 2.923 20 0 GFADRO CC[NH+](CC)CCCNC(=O)C(=O)Nc1cc(C)c(Br)c(F)c1 ZINC000411127313 563606788 /nfs/dbraw/zinc/60/67/88/563606788.db2.gz QRNNVKSWTYLOIA-UHFFFAOYSA-N 1 0 388.281 2.683 20 0 GFADRO C[C@H]([NH2+][C@H]1CCO[C@H](C(F)(F)F)C1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000287606735 563609855 /nfs/dbraw/zinc/60/98/55/563609855.db2.gz IXBVNDOYFYSOKO-WHOFXGATSA-N 1 0 380.432 2.697 20 0 GFADRO O=C(CC[N@@H+]1CC[C@H](C(=O)N2CCCC2)C1)Nc1ccc(Br)cc1 ZINC000287604212 563609870 /nfs/dbraw/zinc/60/98/70/563609870.db2.gz YYEIEVKFURCUQP-AWEZNQCLSA-N 1 0 394.313 2.722 20 0 GFADRO C[C@@H]([NH3+])C1CCN(C(=O)N[C@@H]2CCN(c3ccc(Br)cc3)C2)CC1 ZINC000332666837 563611095 /nfs/dbraw/zinc/61/10/95/563611095.db2.gz OKTNIRHQIJEEJW-CZUORRHYSA-N 1 0 395.345 2.797 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)N[C@@H]1COc2cc(F)c(Br)cc21 ZINC000332705598 563612404 /nfs/dbraw/zinc/61/24/04/563612404.db2.gz VRMWEJJBNNNLHG-KFWWJZLASA-N 1 0 398.276 2.948 20 0 GFADRO C[C@@H]1CCN(C(=O)N[C@H]2CCN(c3cccc(Br)c3)C2)C[C@H]1C[NH3+] ZINC000332699479 563612422 /nfs/dbraw/zinc/61/24/22/563612422.db2.gz SGAWMFUUCPOIBQ-FMKPAKJESA-N 1 0 395.345 2.654 20 0 GFADRO O=C(Nc1ccc(Cl)c(Br)c1)c1ncn([C@@H]2CCC[NH2+]C2)n1 ZINC000433422335 563612517 /nfs/dbraw/zinc/61/25/17/563612517.db2.gz RHQGLRUFDLCQNY-SNVBAGLBSA-N 1 0 384.665 2.871 20 0 GFADRO CC[N@H+](CCNC(=O)C(=O)Nc1nc(-c2ccc(C)s2)cs1)C1CC1 ZINC000287675103 563613298 /nfs/dbraw/zinc/61/32/98/563613298.db2.gz PITWGQNZSFKFLH-UHFFFAOYSA-N 1 0 378.523 2.719 20 0 GFADRO CC(C)(C)[NH2+]CCNC(=O)C(=O)N[C@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000411393321 563618213 /nfs/dbraw/zinc/61/82/13/563618213.db2.gz FFWDKRWZBGIAEL-GFCCVEGCSA-N 1 0 379.810 2.564 20 0 GFADRO O=C(NCC[NH2+][C@H]1CCO[C@@H](C(F)(F)F)C1)c1ccc(Br)cc1 ZINC000287817783 563619173 /nfs/dbraw/zinc/61/91/73/563619173.db2.gz VASWFFNJRRTZAN-QWHCGFSZSA-N 1 0 395.219 2.878 20 0 GFADRO C[C@H]1CN(C(=O)c2cc(Br)cc3nc[nH]c32)CC[N@@H+](C2CC2)C1 ZINC000333088122 563619966 /nfs/dbraw/zinc/61/99/66/563619966.db2.gz NOLFEUNIZLERGQ-LLVKDONJSA-N 1 0 377.286 2.882 20 0 GFADRO CC[NH+](CC)CC1CCN(C(=O)c2cc(Br)c(C)n(C)c2=O)CC1 ZINC000433828885 563620404 /nfs/dbraw/zinc/62/04/04/563620404.db2.gz PDTVZAUUECEQTI-UHFFFAOYSA-N 1 0 398.345 2.650 20 0 GFADRO Cn1cc(NC(=O)N2CCCC[C@@H]2[C@H]2CCC[NH2+]C2)cc(Br)c1=O ZINC000333100765 563620545 /nfs/dbraw/zinc/62/05/45/563620545.db2.gz CGGGQIPDDJLJBV-SWLSCSKDSA-N 1 0 397.317 2.534 20 0 GFADRO O=C(Nc1cnn(-c2ccccc2Br)c1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000333135926 563621976 /nfs/dbraw/zinc/62/19/76/563621976.db2.gz KFIMYKMUXNDTDD-QGZVFWFLSA-N 1 0 390.285 2.852 20 0 GFADRO [NH3+][C@H]1CCCO[C@H]1C1CCN(C(=O)Nc2nc(C(F)(F)F)cs2)CC1 ZINC000333139371 563622042 /nfs/dbraw/zinc/62/20/42/563622042.db2.gz KRQLJYNODNYOKB-JQWIXIFHSA-N 1 0 378.420 2.912 20 0 GFADRO [NH3+][C@H]1CCO[C@@H](C2CCN(Cc3cnc4ccc(Br)cn34)CC2)C1 ZINC000333201648 563623795 /nfs/dbraw/zinc/62/37/95/563623795.db2.gz XYOHGCIPWPDACA-DOTOQJQBSA-N 1 0 393.329 2.815 20 0 GFADRO O=C(Nc1cc(Br)ccc1-n1cccn1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000333229993 563624973 /nfs/dbraw/zinc/62/49/73/563624973.db2.gz XZRJANZWRSTIFG-OCCSQVGLSA-N 1 0 390.285 2.851 20 0 GFADRO [NH3+][C@H]1CCO[C@@H](C2CCN(C(=O)c3cc(F)cc(Br)c3)CC2)C1 ZINC000333252747 563625464 /nfs/dbraw/zinc/62/54/64/563625464.db2.gz HDZPXZNBNFJGPY-JKSUJKDBSA-N 1 0 385.277 2.947 20 0 GFADRO [NH3+][C@@H]1CCCO[C@H]1C1CCN(C(=O)c2cc(Br)ccc2O)CC1 ZINC000333262565 563626047 /nfs/dbraw/zinc/62/60/47/563626047.db2.gz JBQLYOGHIVNFKY-ZBFHGGJFSA-N 1 0 383.286 2.513 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)C(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000411673121 563629042 /nfs/dbraw/zinc/62/90/42/563629042.db2.gz NUEMECFVELTVMG-ZDUSSCGKSA-N 1 0 396.329 2.798 20 0 GFADRO Cc1nc2cc(Br)cc(NC(=O)N3CC[C@H]4C[NH2+]C[C@@H]4C3)c2o1 ZINC000333373231 563629227 /nfs/dbraw/zinc/62/92/27/563629227.db2.gz VHZWTYSWIJWUHY-WDEREUQCSA-N 1 0 379.258 2.972 20 0 GFADRO O=C(N[C@@H]1CCC[NH2+]C1)N1CCC[C@H](Nc2cccc(Br)c2)C1 ZINC000333493981 563633886 /nfs/dbraw/zinc/63/38/86/563633886.db2.gz DOYZKBWPCYJDSN-CVEARBPZSA-N 1 0 381.318 2.787 20 0 GFADRO O=C(c1cc(Br)ccc1F)N1CCC(n2ncc3c2C[NH2+]C3)CC1 ZINC000333652996 563637797 /nfs/dbraw/zinc/63/77/97/563637797.db2.gz ZHSFOAHOFUSQBM-UHFFFAOYSA-N 1 0 393.260 2.865 20 0 GFADRO [NH3+][C@@H]1CCO[C@@H](C2CCN(S(=O)(=O)c3cccc(Cl)c3Cl)CC2)C1 ZINC000333656994 563638553 /nfs/dbraw/zinc/63/85/53/563638553.db2.gz KWGNPLALQVOHIX-TZMCWYRMSA-N 1 0 393.336 2.900 20 0 GFADRO COC[C@H]([NH2+]CC(=O)N[C@@H](C)c1ccc(Cl)cc1Cl)[C@H]1CCCO1 ZINC000434796704 563638581 /nfs/dbraw/zinc/63/85/81/563638581.db2.gz RHOIEZRLCFUVOT-KNXALSJPSA-N 1 0 375.296 2.954 20 0 GFADRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)Cc2cc[nH]c(=O)c2Br)C1 ZINC000333705245 563640079 /nfs/dbraw/zinc/64/00/79/563640079.db2.gz LEDCSRMIPAEEME-GUTXKFCHSA-N 1 0 396.329 2.956 20 0 GFADRO COC[C@@H]1C[C@H](O)C[N@@H+]1CC(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000411914100 563641361 /nfs/dbraw/zinc/64/13/61/563641361.db2.gz SKGRZRLCDLYYCB-ZQIUZPCESA-N 1 0 387.307 2.739 20 0 GFADRO O=C(c1cc2c(c(Br)c1)OCO2)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000333769335 563641762 /nfs/dbraw/zinc/64/17/62/563641762.db2.gz BUJUAQAGRDFNFW-RISCZKNCSA-N 1 0 381.270 2.782 20 0 GFADRO O=C(c1cnn(-c2cccc(Br)c2)c1)N1CCC2(CC[NH2+]2)CC1 ZINC000333817375 563642311 /nfs/dbraw/zinc/64/23/11/563642311.db2.gz KIAMSSNFDRLZDC-UHFFFAOYSA-N 1 0 375.270 2.603 20 0 GFADRO CO[C@](C)([C@@H](C)[NH2+]Cc1nnnn1-c1ccccc1Br)C1CC1 ZINC000411952590 563642525 /nfs/dbraw/zinc/64/25/25/563642525.db2.gz RFALGQOINFGOOR-BDJLRTHQSA-N 1 0 380.290 2.718 20 0 GFADRO COc1cc(Br)c(NC(=O)N2CCC3(CC[NH2+]3)CC2)cc1OC ZINC000333824669 563643212 /nfs/dbraw/zinc/64/32/12/563643212.db2.gz LJLPKRDJOSMPNC-UHFFFAOYSA-N 1 0 384.274 2.826 20 0 GFADRO O=C(CN1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21)Nc1ccc(Cl)c(Cl)c1 ZINC000333856331 563643681 /nfs/dbraw/zinc/64/36/81/563643681.db2.gz OSUVMGJZCKULGW-CJNGLKHVSA-N 1 0 384.307 2.632 20 0 GFADRO COC(=O)CC[C@H]([NH3+])C(=O)Nc1ccc(Br)c(C(F)(F)F)c1 ZINC000288514115 563646288 /nfs/dbraw/zinc/64/62/88/563646288.db2.gz FXYRBYVQSBGXJT-JTQLQIEISA-N 1 0 383.164 2.687 20 0 GFADRO CC(C)[N@H+](C[C@@H](O)COc1ccc(Cl)cc1Cl)C[C@@H]1CCC(=O)N1 ZINC000412076797 563646808 /nfs/dbraw/zinc/64/68/08/563646808.db2.gz LEOOSCSBDHABFA-UONOGXRCSA-N 1 0 375.296 2.722 20 0 GFADRO Cc1cccc(S(=O)(=O)N[C@H]2CCC[N@@H+](C(C)C)C2)c1Br ZINC000435440693 563651010 /nfs/dbraw/zinc/65/10/10/563651010.db2.gz YZICUCKRWCFOCE-ZDUSSCGKSA-N 1 0 375.332 2.909 20 0 GFADRO COCC[NH+](CCOC)C1CCN(C(=O)c2ccc(Cl)nc2Cl)CC1 ZINC000288683135 563653346 /nfs/dbraw/zinc/65/33/46/563653346.db2.gz CRPHQCAFHVAZCX-UHFFFAOYSA-N 1 0 390.311 2.588 20 0 GFADRO Cc1ncsc1CN(C[C@H]1CC[NH2+]C1)C(=O)c1cc2c(s1)CCOC2 ZINC000435602573 563654480 /nfs/dbraw/zinc/65/44/80/563654480.db2.gz WCZTYHAWWSQVAW-ZDUSSCGKSA-N 1 0 377.535 2.838 20 0 GFADRO COC(=O)CC[C@H]([NH3+])C(=O)N1CCC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000288816516 563658164 /nfs/dbraw/zinc/65/81/64/563658164.db2.gz TVXJTKQDSUJEEE-DOMZBBRYSA-N 1 0 389.279 2.644 20 0 GFADRO Cc1ccc(-c2ncc(C[N@@H+]3CCC[C@@H](CNS(C)(=O)=O)C3)s2)cc1 ZINC000435770115 563658516 /nfs/dbraw/zinc/65/85/16/563658516.db2.gz YRFZHLAFGGUFHB-HNNXBMFYSA-N 1 0 379.551 2.880 20 0 GFADRO C[C@@H](O)C[N@H+](Cc1ccc(I)c(Cl)c1)[C@@H](C)CO ZINC000436099855 563664273 /nfs/dbraw/zinc/66/42/73/563664273.db2.gz DYHAESVZYCCVPY-VHSXEESVSA-N 1 0 383.657 2.508 20 0 GFADRO CCS(=O)(=O)NC1CC[NH+](Cc2c[nH]nc2-c2cccc(Cl)c2)CC1 ZINC000289456737 563674751 /nfs/dbraw/zinc/67/47/51/563674751.db2.gz NWTRIVKKWDUDPW-UHFFFAOYSA-N 1 0 382.917 2.634 20 0 GFADRO CS(=O)(=O)c1ccc(-c2nc(C[NH2+][C@H](CO)C3CCCC3)cs2)cc1 ZINC000289500848 563676656 /nfs/dbraw/zinc/67/66/56/563676656.db2.gz KWANHHAFWMQGHO-QGZVFWFLSA-N 1 0 380.535 2.854 20 0 GFADRO C[NH+](C)C1CCN(C(=O)Cc2noc(-c3ccccc3Br)n2)CC1 ZINC000350948695 563679364 /nfs/dbraw/zinc/67/93/64/563679364.db2.gz HMXJQLWLBWWFPU-UHFFFAOYSA-N 1 0 393.285 2.594 20 0 GFADRO C[C@@]1(C[C@@H]2CCC[N@@H+]2Cc2csc(-c3cccs3)n2)NC(=O)NC1=O ZINC000289575492 563679613 /nfs/dbraw/zinc/67/96/13/563679613.db2.gz JRMANFGYALIYKL-SJCJKPOMSA-N 1 0 376.507 2.824 20 0 GFADRO CS(=O)(=O)NCC1CC[NH+](Cc2c(Cl)cccc2N2CCCC2)CC1 ZINC000289655289 563682212 /nfs/dbraw/zinc/68/22/12/563682212.db2.gz YEXVZIZMARKMHE-UHFFFAOYSA-N 1 0 385.961 2.701 20 0 GFADRO O=C(NCCC[NH+]1CCCC1)C1CCN(Cc2ccc(Br)o2)CC1 ZINC000289760658 563685942 /nfs/dbraw/zinc/68/59/42/563685942.db2.gz JWQWPEJBPFFEHA-UHFFFAOYSA-N 1 0 398.345 2.856 20 0 GFADRO C[NH+](C)[C@@H]1CCN(c2ccc(NC(=O)CSCc3cscn3)nc2)C1 ZINC000437104071 563689231 /nfs/dbraw/zinc/68/92/31/563689231.db2.gz CJRDRSZKUSIRTF-OAHLLOKOSA-N 1 0 377.539 2.550 20 0 GFADRO Cc1ccc(Br)c(CNC(=O)NC[C@]2([NH+](C)C)CCSC2)c1 ZINC000413344036 563690210 /nfs/dbraw/zinc/69/02/10/563690210.db2.gz CCZUDPWDDCFNJS-MRXNPFEDSA-N 1 0 386.359 2.994 20 0 GFADRO C[C@H]1Cc2cc(S(=O)(=O)N(CC[NH+](C)C)Cc3cccs3)ccc2O1 ZINC000437325996 563693955 /nfs/dbraw/zinc/69/39/55/563693955.db2.gz MQZUJKAVHBUIIB-AWEZNQCLSA-N 1 0 380.535 2.824 20 0 GFADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1cc2cc(Br)ccc2o1 ZINC000360939241 563696413 /nfs/dbraw/zinc/69/64/13/563696413.db2.gz BTHURKVCJHNBSJ-UONOGXRCSA-N 1 0 379.254 2.788 20 0 GFADRO CC1CCN(C(=S)SCC(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)CC1 ZINC000361167154 563697118 /nfs/dbraw/zinc/69/71/18/563697118.db2.gz DXKPPLLBQSHCDY-QGZVFWFLSA-N 1 0 383.627 2.927 20 0 GFADRO COC(=O)[C@@H]1CN(C(=O)N[C@H]2CCCc3sc(Cl)cc32)CC[N@H+](C)C1 ZINC000413557581 563697278 /nfs/dbraw/zinc/69/72/78/563697278.db2.gz SBNBXXXRASXXHR-AAEUAGOBSA-N 1 0 385.917 2.525 20 0 GFADRO C[N@@H+]1CCC[C@H](N2CCN(CC(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1 ZINC000361430169 563699048 /nfs/dbraw/zinc/69/90/48/563699048.db2.gz NMYZUUJTQNIRDG-HNNXBMFYSA-N 1 0 385.339 2.644 20 0 GFADRO O=S(=O)(c1sccc1Br)N1C[C@@H]2[C@H]3CCCC[N@H+]3C[C@H]2C1 ZINC000361476088 563699959 /nfs/dbraw/zinc/69/99/59/563699959.db2.gz ABUDBNNACJOCRP-GMXVVIOVSA-N 1 0 391.356 2.615 20 0 GFADRO Cc1ccc(CC(=O)N(C)CC[N@H+](C)C2CCN(C)CC2)cc1Br ZINC000437862042 563700239 /nfs/dbraw/zinc/70/02/39/563700239.db2.gz DCCWLILDVLNXHB-UHFFFAOYSA-N 1 0 396.373 2.784 20 0 GFADRO O=C(CCc1cccc(Br)c1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000361629882 563700768 /nfs/dbraw/zinc/70/07/68/563700768.db2.gz QTIMSIYVXBFFNM-UHFFFAOYSA-N 1 0 395.341 2.953 20 0 GFADRO Cc1cc(C[NH2+]CC2CCN(S(=O)(=O)C(F)(F)F)CC2)cc(C)c1O ZINC000290211548 563701241 /nfs/dbraw/zinc/70/12/41/563701241.db2.gz DWHASMIWWVZTSV-UHFFFAOYSA-N 1 0 380.432 2.660 20 0 GFADRO Cc1cc(Br)cn2c(CN3CC[N@@H+](CC(C)(C)O)C[C@H]3C)cnc12 ZINC000438281884 563703582 /nfs/dbraw/zinc/70/35/82/563703582.db2.gz LWJPYKSXZGIGND-CQSZACIVSA-N 1 0 395.345 2.682 20 0 GFADRO Cc1ccc(Br)c(CNC(=O)NC[C@H](O)C[NH+]2CCC(C)CC2)c1 ZINC000413744686 563704205 /nfs/dbraw/zinc/70/42/05/563704205.db2.gz QHJQWQVWMZGGEF-INIZCTEOSA-N 1 0 398.345 2.650 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000362161526 563704765 /nfs/dbraw/zinc/70/47/65/563704765.db2.gz MXRRIEKNNBSNCW-RLCCDNCMSA-N 1 0 393.336 2.866 20 0 GFADRO Cn1nnnc1N1CCC([NH2+][C@@H](c2ccc(Br)cc2)C2CC2)CC1 ZINC000362293316 563705381 /nfs/dbraw/zinc/70/53/81/563705381.db2.gz KHVXBCHRVDCRSD-MRXNPFEDSA-N 1 0 391.317 2.682 20 0 GFADRO O=C(N[C@@H](CO)C[NH+]1CCCCC1)c1cc(Br)cc2cccnc21 ZINC000413814233 563706571 /nfs/dbraw/zinc/70/65/71/563706571.db2.gz IMMROJKBDCLLAD-OAHLLOKOSA-N 1 0 392.297 2.574 20 0 GFADRO Cc1ccccc1[C@H](O)C[NH2+]C1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000362801706 563709393 /nfs/dbraw/zinc/70/93/93/563709393.db2.gz HSPQZCPIMFPWKI-QGZVFWFLSA-N 1 0 380.535 2.533 20 0 GFADRO C[NH+](C)C[C@H]1CCN(Cc2c(Br)cncc2Br)C1 ZINC000290454241 563709943 /nfs/dbraw/zinc/70/99/43/563709943.db2.gz OWWVNYOCXDJMSK-SNVBAGLBSA-N 1 0 377.124 2.990 20 0 GFADRO Cc1ncc2c(n1)CC[C@H]([NH2+]Cc1cc3c(c(Br)c1)OCO3)C2 ZINC000362951572 563710962 /nfs/dbraw/zinc/71/09/62/563710962.db2.gz HZJDTCKODVZSDM-ZDUSSCGKSA-N 1 0 376.254 2.923 20 0 GFADRO COC(=O)[C@H]1CN(C(=O)[C@@H]2C[C@@H]2c2ccc(Cl)cc2Cl)CC[N@H+](C)C1 ZINC000413922199 563711211 /nfs/dbraw/zinc/71/12/11/563711211.db2.gz PGALMBKPTBHBLW-KCPJHIHWSA-N 1 0 385.291 2.660 20 0 GFADRO O=C(/C=C/c1ccc(I)o1)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000363008104 563712116 /nfs/dbraw/zinc/71/21/16/563712116.db2.gz TZYRIIWQQAPMFL-XCOQAZTISA-N 1 0 386.233 2.640 20 0 GFADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)[C@H]1C[C@@H]1c1ccc(Br)cc1 ZINC000362993079 563712146 /nfs/dbraw/zinc/71/21/46/563712146.db2.gz CQCZPSGPXHCLQL-VQHPVUNQSA-N 1 0 379.298 2.532 20 0 GFADRO COc1cc(C)c(Br)cc1S(=O)(=O)N(CC[NH+](C)C)C(C)C ZINC000438943469 563714106 /nfs/dbraw/zinc/71/41/06/563714106.db2.gz BPGMSTWIYORWJS-UHFFFAOYSA-N 1 0 393.347 2.727 20 0 GFADRO C[C@H](CC(=O)c1cccc(Br)c1)C(=O)NCCNc1cc[nH+]cc1 ZINC000439045012 563716304 /nfs/dbraw/zinc/71/63/04/563716304.db2.gz RCLLAJNVIZZSDW-CYBMUJFWSA-N 1 0 390.281 2.703 20 0 GFADRO O=C(c1ccc(F)cc1Br)N1CCC[N@@H+](C2CCOCC2)CC1 ZINC000363241303 563717162 /nfs/dbraw/zinc/71/71/62/563717162.db2.gz HAHJDFYTFSRLIZ-UHFFFAOYSA-N 1 0 385.277 2.915 20 0 GFADRO Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)N1CC[C@@H]([NH+]2CCCC2)[C@@H]1C ZINC000290772302 563720336 /nfs/dbraw/zinc/72/03/36/563720336.db2.gz CEKPEZDJTWDSJM-CMPLNLGQSA-N 1 0 378.826 2.949 20 0 GFADRO C[C@@H](CNS(=O)(=O)c1ccc(F)c(Br)c1)[NH+]1CCC(C)CC1 ZINC000439250489 563720631 /nfs/dbraw/zinc/72/06/31/563720631.db2.gz MGRBLZBYEJFTQR-LBPRGKRZSA-N 1 0 393.322 2.987 20 0 GFADRO C[C@H](O)[C@@H]1CCCC[N@@H+]1C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000439428379 563723801 /nfs/dbraw/zinc/72/38/01/563723801.db2.gz FSFDFZOXTRXPLN-PEYYIBSZSA-N 1 0 376.266 2.563 20 0 GFADRO O=C(c1ccc(Cl)s1)N1CCC[C@@H]1C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000363495598 563724240 /nfs/dbraw/zinc/72/42/40/563724240.db2.gz HZPTYBZGBGAPQV-CQSZACIVSA-N 1 0 381.929 2.703 20 0 GFADRO C[N@H+](C[C@H](O)COc1cc(F)cc(Br)c1)[C@H](CO)c1ccccc1 ZINC000439433993 563724873 /nfs/dbraw/zinc/72/48/73/563724873.db2.gz ASHRZXDNMAZNCS-FUHWJXTLSA-N 1 0 398.272 2.993 20 0 GFADRO C[C@@H](COc1ccc(F)cc1F)[NH2+]Cc1ccc(S(N)(=O)=O)c(Cl)c1 ZINC000414293621 563725587 /nfs/dbraw/zinc/72/55/87/563725587.db2.gz BPPVCBBTSAVBIT-JTQLQIEISA-N 1 0 390.839 2.823 20 0 GFADRO C[C@@H]1Cc2ccccc2N1CC[NH2+]Cc1ccc(S(N)(=O)=O)c(Cl)c1 ZINC000414306944 563725613 /nfs/dbraw/zinc/72/56/13/563725613.db2.gz RSISIDOOZSCIPQ-CYBMUJFWSA-N 1 0 379.913 2.528 20 0 GFADRO COCCn1cc(C[NH2+]C[C@@H]2CCN(c3cccc(Br)c3)C2)cn1 ZINC000363560993 563726042 /nfs/dbraw/zinc/72/60/42/563726042.db2.gz YMUVGUYSLFRYND-HNNXBMFYSA-N 1 0 393.329 2.908 20 0 GFADRO O=C(Nc1ccc(Br)cc1)C1CC[NH+](CCn2cccn2)CC1 ZINC000363599484 563727665 /nfs/dbraw/zinc/72/76/65/563727665.db2.gz CKIDAVVVBOZOST-UHFFFAOYSA-N 1 0 377.286 2.996 20 0 GFADRO CC[NH+]1CCN(c2ccccc2NCc2ccc(S(C)(=O)=O)s2)CC1 ZINC000414361067 563729263 /nfs/dbraw/zinc/72/92/63/563729263.db2.gz BJADQWDZDVBKPS-UHFFFAOYSA-N 1 0 379.551 2.906 20 0 GFADRO CO[C@H]1CCC[N@H+](CC(=O)Nc2cccc(I)c2)CC1 ZINC000363679582 563729896 /nfs/dbraw/zinc/72/98/96/563729896.db2.gz WGWNQKIZLJCWMR-AWEZNQCLSA-N 1 0 388.249 2.731 20 0 GFADRO CCO[C@H](CC[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1)C(C)C ZINC000414367709 563730084 /nfs/dbraw/zinc/73/00/84/563730084.db2.gz SECGYBBMCXPGRJ-CQSZACIVSA-N 1 0 393.347 2.637 20 0 GFADRO CCc1ccc(CC[NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)cc1 ZINC000414391329 563732987 /nfs/dbraw/zinc/73/29/87/563732987.db2.gz KQOJILOTNRVYHI-UHFFFAOYSA-N 1 0 397.338 2.991 20 0 GFADRO COc1cccc(N2CCC[C@H]([NH2+]Cc3ccc(S(C)(=O)=O)s3)C2)c1 ZINC000414394764 563733429 /nfs/dbraw/zinc/73/34/29/563733429.db2.gz PROQRCRNUNRBRX-AWEZNQCLSA-N 1 0 380.535 2.919 20 0 GFADRO COC(=O)C[C@@H](NC(=O)[C@@H]1C[NH+]2CCC1CC2)c1cccc(Br)c1 ZINC000363836778 563734864 /nfs/dbraw/zinc/73/48/64/563734864.db2.gz VUYFFFDQMVSAES-HZPDHXFCSA-N 1 0 395.297 2.511 20 0 GFADRO COC(=O)[C@H](Cc1ccccc1)[C@@H](C)[NH2+]Cc1ccc(S(C)(=O)=O)s1 ZINC000414445611 563738628 /nfs/dbraw/zinc/73/86/28/563738628.db2.gz HQWOFHVZHVFTHS-CZUORRHYSA-N 1 0 381.519 2.662 20 0 GFADRO CCOc1cc(CN2CCC[C@@H](CNC(C)=O)C2)cc(Br)c1O ZINC000291381888 563741136 /nfs/dbraw/zinc/74/11/36/563741136.db2.gz BDJXPDCIGLWCBG-ZDUSSCGKSA-N 1 0 385.302 2.902 20 0 GFADRO COc1cc(C)c(Br)cc1S(=O)(=O)N1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000440409706 563741681 /nfs/dbraw/zinc/74/16/81/563741681.db2.gz OQTKXHNKLNCWSA-ZWNOBZJWSA-N 1 0 391.331 2.514 20 0 GFADRO CS(=O)(=O)c1cc(C(=O)N2CC[C@]3(CCC[C@H]3[NH3+])C2)c(Cl)cc1Cl ZINC000364196621 563745510 /nfs/dbraw/zinc/74/55/10/563745510.db2.gz RBRWRNCIOZGART-GDBMZVCRSA-N 1 0 391.320 2.740 20 0 GFADRO CC[NH+](CC)[C@@H](CNC(=O)N1CCC(F)(F)[C@H](CO)C1)c1ccsc1 ZINC000291591620 563748513 /nfs/dbraw/zinc/74/85/13/563748513.db2.gz ZOVHOXHTTNWAGH-GJZGRUSLSA-N 1 0 375.485 2.790 20 0 GFADRO O=C(Nc1ccc(Cl)c(Cl)c1)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000414666368 563749109 /nfs/dbraw/zinc/74/91/09/563749109.db2.gz WGKKLKKZCLHJPH-ZBFHGGJFSA-N 1 0 385.295 2.762 20 0 GFADRO C[C@@H]1CCCN(S(=O)(=O)c2cccc(Cl)c2Br)[C@@H]1C[NH3+] ZINC000440754441 563749539 /nfs/dbraw/zinc/74/95/39/563749539.db2.gz NVNVCQTWTMFULG-MWLCHTKSSA-N 1 0 381.723 2.850 20 0 GFADRO CCC(CC)(C[NH3+])NS(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC000440746700 563749667 /nfs/dbraw/zinc/74/96/67/563749667.db2.gz KWMLZMRDCIQZKR-CYBMUJFWSA-N 1 0 390.933 2.551 20 0 GFADRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)Nc1nnc(SCc2ccccc2)s1 ZINC000414707612 563751123 /nfs/dbraw/zinc/75/11/23/563751123.db2.gz MVYXMXYBZBJSJW-KBPBESRZSA-N 1 0 377.539 3.469 20 0 GFADRO [NH3+][C@@H]1CCC[C@H](CNC(=O)Nc2nnc(SCc3ccccc3)s2)C1 ZINC000414706301 563751125 /nfs/dbraw/zinc/75/11/25/563751125.db2.gz LOOLQBYFNHHDAB-UONOGXRCSA-N 1 0 377.539 3.469 20 0 GFADRO [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NS(=O)(=O)c1ccc(CC(F)(F)F)cc1 ZINC000440840335 563751476 /nfs/dbraw/zinc/75/14/76/563751476.db2.gz FYQMDQSLNVXJAP-KKNUOHPOSA-N 1 0 376.444 2.976 20 0 GFADRO C[NH2+]CCC1CCN(S(=O)(=O)c2cccc(Br)c2F)CC1 ZINC000440844439 563751861 /nfs/dbraw/zinc/75/18/61/563751861.db2.gz PBRDPWBXZBICGK-UHFFFAOYSA-N 1 0 379.295 2.598 20 0 GFADRO Cc1cc(F)c(Br)cc1S(=O)(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000440861003 563752415 /nfs/dbraw/zinc/75/24/15/563752415.db2.gz PWBAKIOGZJUACH-AWEZNQCLSA-N 1 0 379.295 2.565 20 0 GFADRO O=S(=O)(c1cc(Br)ccc1F)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000440849745 563752492 /nfs/dbraw/zinc/75/24/92/563752492.db2.gz YCAUWPMUZADSNR-CQSZACIVSA-N 1 0 391.306 2.741 20 0 GFADRO COc1ccc([C@H]2CC[NH2+]C[C@H]2NS(=O)(=O)c2ccc(Cl)s2)cc1 ZINC000440860985 563752591 /nfs/dbraw/zinc/75/25/91/563752591.db2.gz HBUPOIJMVYSFRY-ZIAGYGMSSA-N 1 0 386.926 2.834 20 0 GFADRO C[NH2+][C@H]1CCN(C(=O)Nc2ccc(I)cc2Cl)C1 ZINC000414788345 563752900 /nfs/dbraw/zinc/75/29/00/563752900.db2.gz DKQTVXISUGNYFZ-VIFPVBQESA-N 1 0 379.629 2.770 20 0 GFADRO CC1(C)[NH2+]CC[C@H]1NC(=O)Nc1cc(Br)ccc1N1CCOCC1 ZINC000414927483 563754405 /nfs/dbraw/zinc/75/44/05/563754405.db2.gz MAKKUFOJFSTZBQ-OAHLLOKOSA-N 1 0 397.317 2.548 20 0 GFADRO C[C@H]1C[C@@H](NC(=O)Nc2cc(Br)ccc2N2CCOCC2)CC[NH2+]1 ZINC000414937282 563754723 /nfs/dbraw/zinc/75/47/23/563754723.db2.gz XAXAVBVYALUFRK-JSGCOSHPSA-N 1 0 397.317 2.548 20 0 GFADRO C[C@H](CC(=O)Nc1cccc(Br)c1)N[C@@H]1C[NH2+]CCC1(F)F ZINC000415008864 563756888 /nfs/dbraw/zinc/75/68/88/563756888.db2.gz WQLBTHFFCJOTPK-ZWNOBZJWSA-N 1 0 376.245 2.753 20 0 GFADRO C[NH2+]C[C@@H]1CCCN1C(=O)Nc1cc(OC)ccc1I ZINC000415068395 563757731 /nfs/dbraw/zinc/75/77/31/563757731.db2.gz DSTJJNWNCPKPIF-JTQLQIEISA-N 1 0 389.237 2.516 20 0 GFADRO O=S(=O)(NCC[NH2+]Cc1ccc(Cl)c(F)c1)c1ccc(F)cc1F ZINC000441331052 563757955 /nfs/dbraw/zinc/75/79/55/563757955.db2.gz MUBSXEUHWWYWJT-UHFFFAOYSA-N 1 0 378.803 2.825 20 0 GFADRO CO[C@H]1CC[N@H+](CC(=O)N(C)Cc2cc(Br)cs2)[C@@H](C)C1 ZINC000441345742 563758448 /nfs/dbraw/zinc/75/84/48/563758448.db2.gz LSZAJCYQJVWSEF-AAEUAGOBSA-N 1 0 375.332 2.968 20 0 GFADRO CCC1(C[NH2+]CCNS(=O)(=O)c2ccc(Cl)cc2F)CCOCC1 ZINC000441380793 563759112 /nfs/dbraw/zinc/75/91/12/563759112.db2.gz LBWLCJISTJUEMM-UHFFFAOYSA-N 1 0 378.897 2.554 20 0 GFADRO C[C@H]1CN(C(=O)Nc2cc(F)c(I)c(F)c2)CC[C@@H]1[NH3+] ZINC000415127217 563760227 /nfs/dbraw/zinc/76/02/27/563760227.db2.gz VOHPPRGOEXSRLI-CPCISQLKSA-N 1 0 395.191 2.770 20 0 GFADRO C[C@]1(C[NH3+])CCN(C(=O)Nc2cc(F)c(I)c(F)c2)C1 ZINC000415129931 563760268 /nfs/dbraw/zinc/76/02/68/563760268.db2.gz ZYKPNZDAPIJNNX-CYBMUJFWSA-N 1 0 395.191 2.772 20 0 GFADRO CCOc1ccc(Br)cc1NC(=O)NC[C@]1(COC)CCC[NH2+]1 ZINC000415124034 563760378 /nfs/dbraw/zinc/76/03/78/563760378.db2.gz MCVRZFQYTYFQBS-INIZCTEOSA-N 1 0 386.290 2.738 20 0 GFADRO C[NH2+]C[C@H]1CCCN1C(=O)Nc1cc(Br)ccc1-n1cccn1 ZINC000415156799 563761062 /nfs/dbraw/zinc/76/10/62/563761062.db2.gz GUIPGTWTKULMKN-CYBMUJFWSA-N 1 0 378.274 2.851 20 0 GFADRO CCSc1cccc(NC(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)c1 ZINC000415163564 563761198 /nfs/dbraw/zinc/76/11/98/563761198.db2.gz APSBOMZPRKCVGT-AWEZNQCLSA-N 1 0 376.448 2.756 20 0 GFADRO O=C(NCCC[NH2+]C1CC1)Nc1cc(Br)ccc1-n1cccn1 ZINC000415167727 563761796 /nfs/dbraw/zinc/76/17/96/563761796.db2.gz UFJHYHYPPLLWDG-UHFFFAOYSA-N 1 0 378.274 2.898 20 0 GFADRO C[C@H](C[NH3+])CNC(=O)Nc1cc(Br)cnc1OCC(F)(F)F ZINC000415180667 563761836 /nfs/dbraw/zinc/76/18/36/563761836.db2.gz WUBWQUBQJCSBJB-SSDOTTSWSA-N 1 0 385.184 2.502 20 0 GFADRO C[NH2+]C[C@@H]1CCCN1C(=O)Nc1cc(F)c(F)cc1I ZINC000415236974 563763022 /nfs/dbraw/zinc/76/30/22/563763022.db2.gz HAEAHSVNOSVUDV-QMMMGPOBSA-N 1 0 395.191 2.785 20 0 GFADRO O=C(Nc1ccc(F)cc1I)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000415248306 563763473 /nfs/dbraw/zinc/76/34/73/563763473.db2.gz GMYSXMYYXGYREX-BXKDBHETSA-N 1 0 389.212 2.646 20 0 GFADRO O=C(Nc1ccc(F)cc1I)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000415252058 563764174 /nfs/dbraw/zinc/76/41/74/563764174.db2.gz NVKSQHIJNNNZCZ-ZJUUUORDSA-N 1 0 389.212 2.504 20 0 GFADRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1N(C)C(=O)CSc1nncs1 ZINC000364814335 563764510 /nfs/dbraw/zinc/76/45/10/563764510.db2.gz PDBGBVQVJUGBNI-ZBFHGGJFSA-N 1 0 376.551 2.999 20 0 GFADRO C[C@@H]([NH2+][C@H]1CCN(CCN2CCOCC2)C1)c1cc(Br)cs1 ZINC000364802534 563764598 /nfs/dbraw/zinc/76/45/98/563764598.db2.gz FOBBUQPGJGVWBT-HIFRSBDPSA-N 1 0 388.375 2.568 20 0 GFADRO [NH3+]C[C@H](NC(=O)Nc1cccc(Oc2ncc(Br)cn2)c1)C1CC1 ZINC000415300198 563766074 /nfs/dbraw/zinc/76/60/74/563766074.db2.gz JGCKAPDPRRZYSB-AWEZNQCLSA-N 1 0 392.257 2.890 20 0 GFADRO COC(=O)c1cc(Br)ccc1NC(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000415322147 563766946 /nfs/dbraw/zinc/76/69/46/563766946.db2.gz BKISUAMGSLMYQS-QWRGUYRKSA-N 1 0 384.274 2.827 20 0 GFADRO CCOC(=O)c1c(NC(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)sc2c1CCCS2 ZINC000415336041 563768192 /nfs/dbraw/zinc/76/81/92/563768192.db2.gz RPHUBUAUWFWHEM-PHIMTYICSA-N 1 0 381.523 2.646 20 0 GFADRO COC(=O)C[C@@H](NC(=O)CC[C@@H]1CCC[NH2+]1)c1cccc(Br)c1 ZINC000291998075 563768619 /nfs/dbraw/zinc/76/86/19/563768619.db2.gz BWQUKBCPGYXNCE-LSDHHAIUSA-N 1 0 383.286 2.702 20 0 GFADRO COC[C@@]1(CNC(=O)Nc2cc(F)c(Br)cc2F)CCC[NH2+]1 ZINC000415345286 563768870 /nfs/dbraw/zinc/76/88/70/563768870.db2.gz ALKWSPKFWOOTEG-AWEZNQCLSA-N 1 0 378.217 2.617 20 0 GFADRO C[C@@H](NC(=O)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[C@H]1CCC[NH2+]C1 ZINC000415346237 563768891 /nfs/dbraw/zinc/76/88/91/563768891.db2.gz GVGPSZLVESGIIS-ZJUUUORDSA-N 1 0 377.794 2.802 20 0 GFADRO CCOC(=O)c1cc(Br)ccc1NC(=O)N1C[C@@H](C[NH3+])C[C@@H]1C ZINC000415352188 563769271 /nfs/dbraw/zinc/76/92/71/563769271.db2.gz PDEPJXRAFWUGNX-WDEREUQCSA-N 1 0 384.274 2.827 20 0 GFADRO C[C@@H](NC(=O)C(=O)Nc1ccc(Cl)cc1Br)[C@@H]1CCC[NH2+]C1 ZINC000415364309 563770543 /nfs/dbraw/zinc/77/05/43/563770543.db2.gz XUVHKJOLYIQOMB-NXEZZACHSA-N 1 0 388.693 2.545 20 0 GFADRO O=C(Nc1cccc(F)c1I)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000415364232 563770668 /nfs/dbraw/zinc/77/06/68/563770668.db2.gz RSPQIEWJXKLDLU-GXSJLCMTSA-N 1 0 389.212 2.646 20 0 GFADRO CC(C)c1cc(Br)ccc1NC(=O)C(=O)NC1CCC([NH3+])CC1 ZINC000415368404 563771261 /nfs/dbraw/zinc/77/12/61/563771261.db2.gz JXWSSTOUDUICLC-UHFFFAOYSA-N 1 0 382.302 2.897 20 0 GFADRO C[NH2+][C@H]1CCCN(C(=O)Nc2c(F)cc(C)cc2I)C1 ZINC000415392714 563771893 /nfs/dbraw/zinc/77/18/93/563771893.db2.gz NZTKWMLMVGQTCL-JTQLQIEISA-N 1 0 391.228 2.954 20 0 GFADRO Cc1cc(F)c(NC(=O)NC[C@H]2CCC[NH2+]2)c(I)c1 ZINC000415383305 563772080 /nfs/dbraw/zinc/77/20/80/563772080.db2.gz BRDNMJYMWXCXMC-SECBINFHSA-N 1 0 377.201 2.612 20 0 GFADRO Cc1cc(F)c(NC(=O)N[C@H](C)CCC[NH3+])c(I)c1 ZINC000415400971 563772477 /nfs/dbraw/zinc/77/24/77/563772477.db2.gz IGRNAIAHSXVUSI-SECBINFHSA-N 1 0 379.217 2.988 20 0 GFADRO COC(=O)c1cc(NC(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)ccc1Br ZINC000415401466 563772822 /nfs/dbraw/zinc/77/28/22/563772822.db2.gz HHHUFWRSEJBEPH-TXEJJXNPSA-N 1 0 396.285 2.699 20 0 GFADRO O=C(NCCN1CC[NH2+]CC1)Nc1ccc(Br)c2ccccc12 ZINC000415408141 563773079 /nfs/dbraw/zinc/77/30/79/563773079.db2.gz ZIBCRSHDFFKTRL-UHFFFAOYSA-N 1 0 377.286 2.629 20 0 GFADRO C[C@@H]([NH3+])C1CCN(C(=O)C(=O)Nc2ccc(Cl)cc2Br)CC1 ZINC000415404416 563773233 /nfs/dbraw/zinc/77/32/33/563773233.db2.gz XXOMIVLDOHBAOA-SECBINFHSA-N 1 0 388.693 2.627 20 0 GFADRO COC(=O)c1cc(NC(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)ccc1Br ZINC000415409783 563773716 /nfs/dbraw/zinc/77/37/16/563773716.db2.gz UAXDFHOOJGREFA-MNOVXSKESA-N 1 0 384.274 2.827 20 0 GFADRO COCCOc1ccc(Br)cc1NC(=O)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000415424183 563774187 /nfs/dbraw/zinc/77/41/87/563774187.db2.gz IDNUVBUJZFRJIR-YPMHNXCESA-N 1 0 386.290 2.736 20 0 GFADRO COCCOc1ccc(Br)cc1NC(=O)NCCC1=CC[NH2+]CC1 ZINC000415423732 563774247 /nfs/dbraw/zinc/77/42/47/563774247.db2.gz HCMPDZOXSHZPCV-UHFFFAOYSA-N 1 0 398.301 2.906 20 0 GFADRO CN1CC[NH+](C[C@@H]2CCCN(C(=O)c3ccccc3Br)C2)CC1 ZINC000365118996 563774744 /nfs/dbraw/zinc/77/47/44/563774744.db2.gz SUZLKMAFZVJTHY-HNNXBMFYSA-N 1 0 380.330 2.549 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000415427448 563774840 /nfs/dbraw/zinc/77/48/40/563774840.db2.gz BSZINPXMVGCBLU-NXEZZACHSA-N 1 0 377.794 2.883 20 0 GFADRO Cc1c(I)cccc1C(=O)N1CC[C@@]2(CCC[C@@H]2[NH3+])C1 ZINC000365106940 563774912 /nfs/dbraw/zinc/77/49/12/563774912.db2.gz WSVZYOVZWPKYOB-HOCLYGCPSA-N 1 0 384.261 2.943 20 0 GFADRO CS(=O)(=O)c1ccc(NC(=O)NC[C@H]2CCC[C@H]([NH3+])C2)cc1C(F)F ZINC000415438723 563775569 /nfs/dbraw/zinc/77/55/69/563775569.db2.gz QAVQVLCTCBLKAI-QWRGUYRKSA-N 1 0 375.441 2.667 20 0 GFADRO CCOc1c(Cl)cc(NC(=O)C(=O)N[C@H](C[NH3+])CC(C)C)cc1Cl ZINC000415433728 563775575 /nfs/dbraw/zinc/77/55/75/563775575.db2.gz VSEGJTZVTQFPPG-NSHDSACASA-N 1 0 376.284 2.820 20 0 GFADRO Cn1ccnc1Sc1ncc(C(=O)N2CCC[C@H](CC[NH3+])C2)cc1Cl ZINC000442614368 563775790 /nfs/dbraw/zinc/77/57/90/563775790.db2.gz AYFQTKKDOHNKSB-GFCCVEGCSA-N 1 0 379.917 2.821 20 0 GFADRO CS(=O)(=O)c1ccc(NC(=O)N[C@H]2CCCC[C@@H]2C[NH3+])cc1C(F)F ZINC000415450228 563776289 /nfs/dbraw/zinc/77/62/89/563776289.db2.gz ZIMTXXZXPKPWNI-MFKMUULPSA-N 1 0 375.441 2.667 20 0 GFADRO CCOCCOc1ccc(Br)cc1NC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000415444735 563776442 /nfs/dbraw/zinc/77/64/42/563776442.db2.gz HQAYSXHGNNXQJS-BETUJISGSA-N 1 0 398.301 2.548 20 0 GFADRO COC(=O)c1cc(Br)c(F)cc1NC(=O)N[C@H]1CCCC[NH2+]C1 ZINC000415468566 563777590 /nfs/dbraw/zinc/77/75/90/563777590.db2.gz KEIBTODPMVCLPP-VIFPVBQESA-N 1 0 388.237 2.638 20 0 GFADRO CCOCCOc1ccc(Br)cc1NC(=O)NC[C@H]1CCC[NH2+]1 ZINC000415469278 563777628 /nfs/dbraw/zinc/77/76/28/563777628.db2.gz WJTXGPVVUJRULA-CYBMUJFWSA-N 1 0 386.290 2.738 20 0 GFADRO Cc1cc(Br)cc(Cl)c1NC(=O)C(=O)N1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000415469664 563777661 /nfs/dbraw/zinc/77/76/61/563777661.db2.gz XFGXOVIHDDZVKT-CABZTGNLSA-N 1 0 388.693 2.545 20 0 GFADRO O=C(NCC[N@@H+]1CCCOCC1)C1(Cc2ccccc2Br)CC1 ZINC000292197561 563777916 /nfs/dbraw/zinc/77/79/16/563777916.db2.gz AOCOSCZEJZHZFG-UHFFFAOYSA-N 1 0 381.314 2.610 20 0 GFADRO CC[NH2+]CC1CCN(C(=O)C(=O)Nc2cc(Cl)c(F)c(Cl)c2)CC1 ZINC000415482286 563778287 /nfs/dbraw/zinc/77/82/87/563778287.db2.gz XEEBAAWDHGMELT-UHFFFAOYSA-N 1 0 376.259 2.919 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H](CNC(=O)Nc2cc(Br)cnc2-n2cccn2)C1 ZINC000415476309 563778390 /nfs/dbraw/zinc/77/83/90/563778390.db2.gz BNPUAJNARLMPCS-DGCLKSJQSA-N 1 0 393.289 2.669 20 0 GFADRO CC[NH2+]CC1CCN(C(=O)C(=O)Nc2cc(Cl)c(Cl)cc2F)CC1 ZINC000415475352 563778448 /nfs/dbraw/zinc/77/84/48/563778448.db2.gz HWUNYZVTKMRNMX-UHFFFAOYSA-N 1 0 376.259 2.919 20 0 GFADRO O=C(Nc1cc(Cl)cc(C(F)(F)F)c1)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000415476734 563778472 /nfs/dbraw/zinc/77/84/72/563778472.db2.gz CXGPTNAGCCOGLF-NEPJUHHUSA-N 1 0 375.778 2.650 20 0 GFADRO CC(C)[C@](C)(C[NH3+])NC(=O)Nc1cc(Br)cnc1-n1cccn1 ZINC000415481212 563778476 /nfs/dbraw/zinc/77/84/76/563778476.db2.gz KJLGQXVWBXEWBI-HNNXBMFYSA-N 1 0 381.278 2.525 20 0 GFADRO CCC([NH3+])(CC)CNC(=O)C(=O)Nc1cc(F)c(Br)c(Cl)c1 ZINC000415492332 563778900 /nfs/dbraw/zinc/77/89/00/563778900.db2.gz OUTKIRIOZSXFJU-UHFFFAOYSA-N 1 0 394.672 2.814 20 0 GFADRO CCOc1c(Cl)cc(NC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)cc1Cl ZINC000415485229 563779078 /nfs/dbraw/zinc/77/90/78/563779078.db2.gz OMLIOKSYMPOVSN-MNOVXSKESA-N 1 0 386.279 2.684 20 0 GFADRO CC[NH2+]CC1CCN(C(=O)C(=O)Nc2cccc(C)c2Br)CC1 ZINC000415487983 563779115 /nfs/dbraw/zinc/77/91/15/563779115.db2.gz HQMIBLAOBVLLPH-UHFFFAOYSA-N 1 0 382.302 2.544 20 0 GFADRO C[C@@H]1CCN(C(=O)Nc2cc(Br)cnc2-n2cccn2)[C@H](C[NH3+])C1 ZINC000415494274 563779132 /nfs/dbraw/zinc/77/91/32/563779132.db2.gz ZBGWAOICHSFYBF-YPMHNXCESA-N 1 0 393.289 2.621 20 0 GFADRO C[N@@H+]1CC[C@@]2(CCN(CC(=O)Nc3c(F)cc(F)cc3Br)C2)C1 ZINC000292225546 563779184 /nfs/dbraw/zinc/77/91/84/563779184.db2.gz VHJZGWBBADZVCF-MRXNPFEDSA-N 1 0 388.256 2.693 20 0 GFADRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)Nc1cccc(Br)c1Cl ZINC000415496764 563779613 /nfs/dbraw/zinc/77/96/13/563779613.db2.gz GXRLJJDODLLNQR-NSHDSACASA-N 1 0 390.709 2.873 20 0 GFADRO CC[NH2+]CC1CCN(C(=O)C(=O)Nc2cc(Br)c(C)cc2C)CC1 ZINC000415505401 563780329 /nfs/dbraw/zinc/78/03/29/563780329.db2.gz YQZPQESZKGWUKU-UHFFFAOYSA-N 1 0 396.329 2.853 20 0 GFADRO [NH3+]C1CCN(C(=O)Nc2ccnn2Cc2ccccc2Br)CC1 ZINC000415518948 563780683 /nfs/dbraw/zinc/78/06/83/563780683.db2.gz DIWQQVLDEYOHDH-UHFFFAOYSA-N 1 0 378.274 2.649 20 0 GFADRO [NH3+]C[C@H]1CC[C@H](NC(=O)Nc2ccnn2Cc2ccccc2Br)C1 ZINC000415520478 563781528 /nfs/dbraw/zinc/78/15/28/563781528.db2.gz IAKLBOJTDDNELF-JSGCOSHPSA-N 1 0 392.301 2.943 20 0 GFADRO C[C@H]1CN(C(=O)Nc2ccnn2Cc2cccc(Br)c2)CC[C@@H]1[NH3+] ZINC000415524054 563781994 /nfs/dbraw/zinc/78/19/94/563781994.db2.gz BQUDUJBZPPYROF-WFASDCNBSA-N 1 0 392.301 2.895 20 0 GFADRO C[C@@H]1CN(C(=O)Nc2ccnn2Cc2cccc(Br)c2)CC[C@@H]1[NH3+] ZINC000415524051 563782137 /nfs/dbraw/zinc/78/21/37/563782137.db2.gz BQUDUJBZPPYROF-DOMZBBRYSA-N 1 0 392.301 2.895 20 0 GFADRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)Nc1ccnn1Cc1cccc(Br)c1 ZINC000415527940 563782748 /nfs/dbraw/zinc/78/27/48/563782748.db2.gz OXWIWHBMPITLGF-SWLSCSKDSA-N 1 0 392.301 2.813 20 0 GFADRO CNC(=O)CC[N@H+](C)Cc1cccc(Br)c1OC[C@H]1CCCO1 ZINC000442886882 563783086 /nfs/dbraw/zinc/78/30/86/563783086.db2.gz VEUMAFASPVZOEY-CQSZACIVSA-N 1 0 385.302 2.575 20 0 GFADRO O=C(Nc1c(F)cccc1Br)C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000415545926 563783748 /nfs/dbraw/zinc/78/37/48/563783748.db2.gz XEIIEPOMVMDNSM-AWEZNQCLSA-N 1 0 398.276 2.517 20 0 GFADRO COC[C@H](C)Oc1ccc(Cl)cc1NC(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000415563571 563784180 /nfs/dbraw/zinc/78/41/80/563784180.db2.gz PLONQYCWNWFNKT-HZMBPMFUSA-N 1 0 377.819 2.872 20 0 GFADRO C[NH2+]CCC1CCN(C(=O)C(=O)Nc2cc(C)cc(Br)c2)CC1 ZINC000415556221 563784354 /nfs/dbraw/zinc/78/43/54/563784354.db2.gz VNZFCMQJJRGPQV-UHFFFAOYSA-N 1 0 382.302 2.544 20 0 GFADRO CC1(CNC(=O)C(=O)Nc2cc(Cl)cc(Br)c2)CC[NH2+]CC1 ZINC000415573189 563785176 /nfs/dbraw/zinc/78/51/76/563785176.db2.gz PRANJDAWERWKRT-UHFFFAOYSA-N 1 0 388.693 2.547 20 0 GFADRO COC(=O)c1cccc(NC(=O)N2CCCC[C@@H]2[C@@H](C)[NH3+])c1Br ZINC000415603626 563786812 /nfs/dbraw/zinc/78/68/12/563786812.db2.gz DLXAMHUNMWVVCT-ZWNOBZJWSA-N 1 0 384.274 2.969 20 0 GFADRO COc1ccc(NC(=O)N2CC[C@@](C)(C[NH3+])C2)c(I)c1 ZINC000415601248 563787103 /nfs/dbraw/zinc/78/71/03/563787103.db2.gz VPFMKOWNZFEIGZ-AWEZNQCLSA-N 1 0 389.237 2.502 20 0 GFADRO COC(=O)c1cc(NC(=O)N2CC[C@@H]([C@H](C)[NH3+])C2)cc(Br)c1F ZINC000415619323 563788243 /nfs/dbraw/zinc/78/82/43/563788243.db2.gz YOMAOEWVOZLLHV-DTWKUNHWSA-N 1 0 388.237 2.576 20 0 GFADRO C[C@@H]1CCN(C(=O)Nc2nnc(-c3ccc(Cl)cc3F)s2)C[C@H]1C[NH3+] ZINC000415630386 563788618 /nfs/dbraw/zinc/78/86/18/563788618.db2.gz LDHLQQBYHAGBBX-NXEZZACHSA-N 1 0 383.880 3.446 20 0 GFADRO CC(C)[C@@](C)(C[NH3+])NC(=O)Nc1ccc(-c2ccc(Br)s2)nn1 ZINC000415636140 563789263 /nfs/dbraw/zinc/78/92/63/563789263.db2.gz DRYBAIHJIIRTIE-OAHLLOKOSA-N 1 0 398.330 3.463 20 0 GFADRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)Nc1ccc(-c2ccc(Cl)s2)nc1 ZINC000415632483 563789375 /nfs/dbraw/zinc/78/93/75/563789375.db2.gz XYFQWYKCJBCZBN-GXFFZTMASA-N 1 0 378.885 2.516 20 0 GFADRO CC(C)c1cc(Br)ccc1NC(=O)C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000415638421 563789507 /nfs/dbraw/zinc/78/95/07/563789507.db2.gz BNFTWEIJQURIHF-STQMWFEESA-N 1 0 382.302 2.897 20 0 GFADRO CC(C)c1cc(Br)ccc1NC(=O)C(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000415666756 563790771 /nfs/dbraw/zinc/79/07/71/563790771.db2.gz XHUPMOWLTHLJRH-FZMZJTMJSA-N 1 0 382.302 2.625 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)C(=O)Nc2ccc(-c3ccc(Cl)s3)nc2)CC[NH2+]1 ZINC000415666536 563790923 /nfs/dbraw/zinc/79/09/23/563790923.db2.gz FBOPOLUBLCYYLN-GHMZBOCLSA-N 1 0 378.885 2.659 20 0 GFADRO [NH3+]CC[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)C1 ZINC000415677707 563791139 /nfs/dbraw/zinc/79/11/39/563791139.db2.gz NBXGUWSNHNSNHA-JTQLQIEISA-N 1 0 377.794 2.885 20 0 GFADRO COC(=O)c1cc(NC(=O)N2CC[C@H](C)[C@@H](C[NH3+])C2)c(C)cc1Br ZINC000415703315 563791927 /nfs/dbraw/zinc/79/19/27/563791927.db2.gz FNNXWYFRWDAKLO-JQWIXIFHSA-N 1 0 398.301 2.993 20 0 GFADRO COC(=O)c1cc(NC(=O)N2CCCC[C@H]2C[NH3+])c(C)cc1Br ZINC000415709208 563792516 /nfs/dbraw/zinc/79/25/16/563792516.db2.gz OZMZDUPTOFLJOC-NSHDSACASA-N 1 0 384.274 2.889 20 0 GFADRO COC(=O)c1cc(NC(=O)N2CC[C@](C)(C[NH3+])C2)c(C)cc1Br ZINC000415712497 563792531 /nfs/dbraw/zinc/79/25/31/563792531.db2.gz VDAXFTFEARYABI-MRXNPFEDSA-N 1 0 384.274 2.747 20 0 GFADRO COC(=O)c1cc(NC(=O)N[C@@H]2CCC[C@H]([NH3+])C2)c(C)cc1Br ZINC000415711101 563792566 /nfs/dbraw/zinc/79/25/66/563792566.db2.gz RRXVSZSWZRXHKX-WDEREUQCSA-N 1 0 384.274 2.936 20 0 GFADRO CN(CCOc1ccc(S(N)(=O)=O)cc1)Cc1nc(C(C)(C)C)cs1 ZINC000292737336 563794110 /nfs/dbraw/zinc/79/41/10/563794110.db2.gz NAQMAAWBCFPVMW-UHFFFAOYSA-N 1 0 383.539 2.599 20 0 GFADRO O=S1(=O)CCC([NH2+]C2CCN(c3cccc(C(F)(F)F)c3)CC2)CC1 ZINC000365829082 563794170 /nfs/dbraw/zinc/79/41/70/563794170.db2.gz FEZFDRRSKIFYOY-UHFFFAOYSA-N 1 0 376.444 2.841 20 0 GFADRO CC[N@H+](Cc1cc(I)c(OC)c(OC)c1)[C@H](C)CO ZINC000292733181 563794613 /nfs/dbraw/zinc/79/46/13/563794613.db2.gz GPIZVOXAVUEQIJ-SNVBAGLBSA-N 1 0 379.238 2.511 20 0 GFADRO CCC(CC)(C[NH3+])NC(=O)Nc1ccn(-c2ccc(Br)cc2)n1 ZINC000415753773 563794745 /nfs/dbraw/zinc/79/47/45/563794745.db2.gz GVCIUSHFWPBTBW-UHFFFAOYSA-N 1 0 380.290 3.274 20 0 GFADRO O=C(Nc1cc(Cl)c(F)c(Cl)c1)C(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000415766261 563794985 /nfs/dbraw/zinc/79/49/85/563794985.db2.gz RYQWSSDBOMRRCG-NSHDSACASA-N 1 0 388.270 2.919 20 0 GFADRO C[C@H](CCC[NH3+])NC(=O)C(=O)Nc1ncc(Cc2ccccc2Cl)s1 ZINC000415758275 563795055 /nfs/dbraw/zinc/79/50/55/563795055.db2.gz HTSFTYZKJNFYRW-LLVKDONJSA-N 1 0 380.901 2.569 20 0 GFADRO CC(C)(CCC[NH3+])NC(=O)C(=O)Nc1ccc(Br)cc1Cl ZINC000415762031 563795156 /nfs/dbraw/zinc/79/51/56/563795156.db2.gz OPTOMCULTJZXPR-UHFFFAOYSA-N 1 0 376.682 2.675 20 0 GFADRO COc1ccc(Cl)cc1NC(=O)[C@@H](C)N1CC[NH+]([C@H]2CCSC2)CC1 ZINC000365869561 563795236 /nfs/dbraw/zinc/79/52/36/563795236.db2.gz NUSXOEJIKSQLGL-HIFRSBDPSA-N 1 0 383.945 2.799 20 0 GFADRO Brc1cccc(-c2noc(CN3CCC(c4nnc[nH]4)CC3)n2)c1 ZINC000365940977 563795898 /nfs/dbraw/zinc/79/58/98/563795898.db2.gz HOZJOHKBIIEDHU-UHFFFAOYSA-N 1 0 389.257 2.997 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)NCCC[C@@H]2CCC[NH2+]2)c(Br)c1 ZINC000415798577 563796927 /nfs/dbraw/zinc/79/69/27/563796927.db2.gz BAFUTZQJEUASTF-ZDUSSCGKSA-N 1 0 382.302 2.653 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H](CNC(=O)C(=O)Nc2ccc(C(F)(F)F)cc2Cl)C1 ZINC000415805855 563797511 /nfs/dbraw/zinc/79/75/11/563797511.db2.gz JOPRCUODGZRLLR-MWLCHTKSSA-N 1 0 377.794 2.931 20 0 GFADRO C[NH2+]CCNC(=O)Nc1cnn(Cc2ccc(Br)cc2Cl)c1 ZINC000415824170 563798508 /nfs/dbraw/zinc/79/85/08/563798508.db2.gz VELZEJUKZSNKOP-UHFFFAOYSA-N 1 0 386.681 2.688 20 0 GFADRO CC[NH2+]Cc1ccccc1NC(=O)NCCCn1cc(Br)cn1 ZINC000415937292 563800153 /nfs/dbraw/zinc/80/01/53/563800153.db2.gz YELMAPHCKGAFBN-UHFFFAOYSA-N 1 0 380.290 2.967 20 0 GFADRO Cc1cc(Br)cc(Cl)c1NC(=O)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000415875684 563800225 /nfs/dbraw/zinc/80/02/25/563800225.db2.gz ZFUJHYCPRDKRGP-LLVKDONJSA-N 1 0 388.693 2.608 20 0 GFADRO CC[NH2+]Cc1ccccc1NC(=O)N(C)CCn1cc(Br)cn1 ZINC000415930470 563800228 /nfs/dbraw/zinc/80/02/28/563800228.db2.gz KGYZZBRKLCFMNH-UHFFFAOYSA-N 1 0 380.290 2.919 20 0 GFADRO O=C(NCCCCn1cc(Br)cn1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000366206203 563801503 /nfs/dbraw/zinc/80/15/03/563801503.db2.gz WQRYGVMMVPFGAK-INIZCTEOSA-N 1 0 398.349 2.696 20 0 GFADRO C[C@@H](CNC(=O)N[C@@H](CC[NH3+])C(F)(F)F)Oc1ccccc1Br ZINC000416002743 563801966 /nfs/dbraw/zinc/80/19/66/563801966.db2.gz FRZIKUCNGZFKTE-CABZTGNLSA-N 1 0 398.223 2.795 20 0 GFADRO [NH3+]CC[C@H](NC(=O)N1CCC2(CC1)OCCc1ccsc12)C(F)(F)F ZINC000416035146 563803008 /nfs/dbraw/zinc/80/30/08/563803008.db2.gz UXKVPYXPPUDNCG-LBPRGKRZSA-N 1 0 377.432 2.601 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2ccccc2Br)C[C@H]1C ZINC000443366077 563803090 /nfs/dbraw/zinc/80/30/90/563803090.db2.gz LMDFUNNITZHWIH-CHWSQXEVSA-N 1 0 382.302 2.719 20 0 GFADRO [NH3+]CC[C@H](NC(=O)N[C@H](c1cncc(Br)c1)C1CC1)C(F)(F)F ZINC000416038244 563803720 /nfs/dbraw/zinc/80/37/20/563803720.db2.gz DECGQRIVJXFYTP-RYUDHWBXSA-N 1 0 395.223 2.874 20 0 GFADRO Cc1nc2ccc(Br)cn2c1C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000366339679 563805241 /nfs/dbraw/zinc/80/52/41/563805241.db2.gz ONMLJHUHNREMTE-UONOGXRCSA-N 1 0 377.286 2.762 20 0 GFADRO Cn1cc([C@H]2[C@H](C[NH2+]Cc3c(F)cccc3Br)CC(=O)N2C)cn1 ZINC000366337943 563805617 /nfs/dbraw/zinc/80/56/17/563805617.db2.gz MECIWHLRUJRNFY-APPDUMDISA-N 1 0 395.276 2.631 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)c1cc(F)ccc1Br ZINC000366428970 563808197 /nfs/dbraw/zinc/80/81/97/563808197.db2.gz MNSHVUCOZOKXDP-WQVCFCJDSA-N 1 0 385.277 2.912 20 0 GFADRO CCn1cc(Br)cc1C(=O)N1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000366440231 563808217 /nfs/dbraw/zinc/80/82/17/563808217.db2.gz PNFGGMUVFFAHFM-OFQRWUPVSA-N 1 0 384.318 2.594 20 0 GFADRO CCc1ncsc1NC(=O)C(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1cccs1 ZINC000366455127 563809056 /nfs/dbraw/zinc/80/90/56/563809056.db2.gz YNAMMRQPDGNUEU-SMDDNHRTSA-N 1 0 378.523 2.515 20 0 GFADRO CS(=O)(=O)N1CCC[C@@H](C[N@@H+]2CCC[C@@H](Oc3ccccc3Cl)C2)C1 ZINC000443659868 563809489 /nfs/dbraw/zinc/80/94/89/563809489.db2.gz RJRKIYIPEYASEB-JKSUJKDBSA-N 1 0 386.945 2.855 20 0 GFADRO C[NH+](C)[C@H](CC(=O)NCCCn1cc(Br)cn1)c1ccccc1 ZINC000416235612 563811072 /nfs/dbraw/zinc/81/10/72/563811072.db2.gz VIMUHHCMTAABDO-MRXNPFEDSA-N 1 0 379.302 2.845 20 0 GFADRO O=C(Cc1cc(F)ccc1Br)N1CC[C@H](OCC[NH+]2CCCC2)C1 ZINC000443808901 563813142 /nfs/dbraw/zinc/81/31/42/563813142.db2.gz JPAJEYLTARWTHB-INIZCTEOSA-N 1 0 399.304 2.844 20 0 GFADRO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000293492395 563815053 /nfs/dbraw/zinc/81/50/53/563815053.db2.gz RZUMBHONFRBRPY-FZMZJTMJSA-N 1 0 391.265 2.688 20 0 GFADRO C[C@@H]([NH2+]C[C@H](O)COCC(F)(F)F)c1nnc(-c2cccc(F)c2)s1 ZINC000366596533 563815074 /nfs/dbraw/zinc/81/50/74/563815074.db2.gz KRCLHLJYUKIIPH-SKDRFNHKSA-N 1 0 379.379 2.935 20 0 GFADRO CC1(C)CCC[N@H+](CCNS(=O)(=O)c2ccc(OCC(F)F)cc2)C1 ZINC000443969272 563817139 /nfs/dbraw/zinc/81/71/39/563817139.db2.gz GPDIIQXBYSEYTH-UHFFFAOYSA-N 1 0 376.469 2.731 20 0 GFADRO CCOC1CC(O)(C[NH2+]C2CCN(Cc3ccccc3Br)CC2)C1 ZINC000444014122 563817774 /nfs/dbraw/zinc/81/77/74/563817774.db2.gz XBBJTAMGRNHULE-UHFFFAOYSA-N 1 0 397.357 2.933 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)NC(C)(C)CCC[NH3+] ZINC000293596899 563819302 /nfs/dbraw/zinc/81/93/02/563819302.db2.gz FQMGMWQAYQDKEY-AWEZNQCLSA-N 1 0 386.583 2.985 20 0 GFADRO COc1cc(OC)c(S(=O)(=O)NCC[N@@H+]2CCCC[C@H]2C)cc1Cl ZINC000416376711 563819941 /nfs/dbraw/zinc/81/99/41/563819941.db2.gz TZTMTABUAGQZMJ-GFCCVEGCSA-N 1 0 376.906 2.510 20 0 GFADRO O=C(NC1(c2ccc(Br)cc2)CCOCC1)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000444152781 563822734 /nfs/dbraw/zinc/82/27/34/563822734.db2.gz OYLWLRTUAVZSJY-NVXWUHKLSA-N 1 0 379.298 2.571 20 0 GFADRO O=C(c1csc(I)c1)N1CCC[C@H]2C[NH2+]CCC[C@@H]21 ZINC000366877800 563823067 /nfs/dbraw/zinc/82/30/67/563823067.db2.gz ZZGCLQJVNOJTFG-JQWIXIFHSA-N 1 0 390.290 2.957 20 0 GFADRO CSCc1cnc(CNCc2cccc(C(=O)NCC[NH+](C)C)c2)s1 ZINC000293736979 563823252 /nfs/dbraw/zinc/82/32/52/563823252.db2.gz ZTYROKWQJUAWQB-UHFFFAOYSA-N 1 0 378.567 2.587 20 0 GFADRO O=C(Nc1cc(F)c(I)c(F)c1)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000444164659 563823502 /nfs/dbraw/zinc/82/35/02/563823502.db2.gz ZWQUWGUACDZPRY-AMIZOPFISA-N 1 0 378.160 2.508 20 0 GFADRO COc1ccc(Br)c(C(=O)NCCC[NH2+][C@H]2CCOC2(C)C)c1 ZINC000293796608 563824187 /nfs/dbraw/zinc/82/41/87/563824187.db2.gz QXUHEKKQUPOSMN-HNNXBMFYSA-N 1 0 385.302 2.735 20 0 GFADRO CC[NH+](CC)C[C@@H]1CCN(S(=O)(=O)c2cc(Cl)c(OC)cc2OC)C1 ZINC000416411592 563824963 /nfs/dbraw/zinc/82/49/63/563824963.db2.gz KLPWNCSPIDFLBW-ZDUSSCGKSA-N 1 0 390.933 2.710 20 0 GFADRO Cc1cc(S(=O)(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c(F)cc1Br ZINC000416411133 563825007 /nfs/dbraw/zinc/82/50/07/563825007.db2.gz YXRJDRLRJLHJGR-NWDGAFQWSA-N 1 0 393.322 3.000 20 0 GFADRO COC(=O)[C@H](c1ccc(Cl)cc1Cl)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000444226454 563825078 /nfs/dbraw/zinc/82/50/78/563825078.db2.gz OVEZHUMNOPXYMA-DYVFJYSZSA-N 1 0 387.307 2.862 20 0 GFADRO Cc1cc(Br)c(S(=O)(=O)N2C[C@H]([NH3+])Cc3ccccc32)s1 ZINC000416428888 563827874 /nfs/dbraw/zinc/82/78/74/563827874.db2.gz WMRZMCMOWPGRHC-LLVKDONJSA-N 1 0 387.324 2.898 20 0 GFADRO CN(C)C(=O)CN1CCC([NH2+][C@@H]2CCc3sc(Br)cc32)CC1 ZINC000293943384 563828441 /nfs/dbraw/zinc/82/84/41/563828441.db2.gz YUYQVUHYWCXXAN-CYBMUJFWSA-N 1 0 386.359 2.640 20 0 GFADRO OCC[N@H+](CCSc1cc(Cl)ccc1Cl)CCN1CCOCC1 ZINC000444398812 563831133 /nfs/dbraw/zinc/83/11/33/563831133.db2.gz KPJRJZSWDGMMNE-UHFFFAOYSA-N 1 0 379.353 2.712 20 0 GFADRO Cc1cc(C)c(Br)c(C(=O)N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)c1 ZINC000444547731 563833151 /nfs/dbraw/zinc/83/31/51/563833151.db2.gz JMDDUZGEKVBAGM-AWEZNQCLSA-N 1 0 383.330 2.983 20 0 GFADRO Cc1ccc(Br)c(NC(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c1 ZINC000367184614 563834847 /nfs/dbraw/zinc/83/48/47/563834847.db2.gz KGEJHDASPJBUSS-JKSUJKDBSA-N 1 0 382.302 2.820 20 0 GFADRO COC(=O)[C@H](c1cccc(Cl)c1Cl)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000444760191 563836536 /nfs/dbraw/zinc/83/65/36/563836536.db2.gz SCVJNIJYHJPWLG-LRDDRELGSA-N 1 0 389.323 2.985 20 0 GFADRO CC[C@@H](C)[C@H](NC(=O)C[NH2+][C@@H](C)c1ccc(Br)s1)C(=O)OC ZINC000444763787 563836936 /nfs/dbraw/zinc/83/69/36/563836936.db2.gz VLRKDEMIRUCKOI-BFVZDQMLSA-N 1 0 391.331 2.865 20 0 GFADRO C[N@H+](CCCCNS(=O)(=O)Cc1cccc(Br)c1)C1CC1 ZINC000416507490 563840801 /nfs/dbraw/zinc/84/08/01/563840801.db2.gz NXHFRNMPRTVKCL-UHFFFAOYSA-N 1 0 375.332 2.743 20 0 GFADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)c1cc2ccc(Br)cc2s1 ZINC000294509766 563844998 /nfs/dbraw/zinc/84/49/98/563844998.db2.gz GASPQTFEPYYLAJ-CYBMUJFWSA-N 1 0 382.327 2.639 20 0 GFADRO Cn1cc(Br)c(C(=O)N[C@@H](C[NH+](C)C)c2ccc(Cl)cc2)n1 ZINC000294511612 563845242 /nfs/dbraw/zinc/84/52/42/563845242.db2.gz CATGIXPXMPAARC-ZDUSSCGKSA-N 1 0 385.693 2.869 20 0 GFADRO O=C([C@H](O)c1ccc(Cl)c(Cl)c1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000294541413 563845629 /nfs/dbraw/zinc/84/56/29/563845629.db2.gz QHVWDRYSSJGMRS-QGZVFWFLSA-N 1 0 387.307 2.598 20 0 GFADRO COc1sc(CN2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)cc1Br ZINC000367461626 563845618 /nfs/dbraw/zinc/84/56/18/563845618.db2.gz ZHCYIYRFMVHQGE-KGLIPLIRSA-N 1 0 375.332 2.550 20 0 GFADRO COCCc1ccc(S(=O)(=O)N(CC[NH+](C)C)Cc2ccsc2)cc1 ZINC000416554692 563847687 /nfs/dbraw/zinc/84/76/87/563847687.db2.gz DLTSPLSNGXKXEN-UHFFFAOYSA-N 1 0 382.551 2.690 20 0 GFADRO O=C(c1cc(Br)cnc1OCC1CC1)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000367544293 563848463 /nfs/dbraw/zinc/84/84/63/563848463.db2.gz KLUQCTHVNWIMOH-HNNXBMFYSA-N 1 0 394.313 2.943 20 0 GFADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)N(C)C(C)(C)C[NH+]2CCCC2)c1 ZINC000416656269 563858641 /nfs/dbraw/zinc/85/86/41/563858641.db2.gz BVTHKIAHBMKZHB-UHFFFAOYSA-N 1 0 388.917 2.622 20 0 GFADRO O=S(=O)(c1cccnc1C(F)(F)F)N1CCC[C@H]([NH+]2CCCCC2)C1 ZINC000367890249 563859008 /nfs/dbraw/zinc/85/90/08/563859008.db2.gz FWSHWLDVDOWYCZ-ZDUSSCGKSA-N 1 0 377.432 2.739 20 0 GFADRO C[C@H]1CCC[C@](CNC(=O)Cc2cc[nH]c(=O)c2Br)([NH+](C)C)C1 ZINC000446110478 563859114 /nfs/dbraw/zinc/85/91/14/563859114.db2.gz YFUMTGYTOJPSRW-SJCJKPOMSA-N 1 0 384.318 2.719 20 0 GFADRO C[C@H]1COCCN1CCNC(=O)CCC(=O)c1cc(Cl)sc1Cl ZINC000446189776 563860304 /nfs/dbraw/zinc/86/03/04/563860304.db2.gz XAMLBJYOHVFZFE-JTQLQIEISA-N 1 0 379.309 2.855 20 0 GFADRO C[C@@H](NC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(Cl)cc1 ZINC000416827610 563861717 /nfs/dbraw/zinc/86/17/17/563861717.db2.gz LFFQRIKARFCWOJ-BXUZGUMPSA-N 1 0 378.826 2.536 20 0 GFADRO Ic1cnc(CN2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@H]3C2)s1 ZINC000368019493 563861823 /nfs/dbraw/zinc/86/18/23/563861823.db2.gz SDDYKGHTHFYBIH-WOPDTQHZSA-N 1 0 389.306 2.664 20 0 GFADRO C[C@H](NC(=O)N1CCN([C@H]2CC[NH2+]C2)CC1)c1cc(F)c(Cl)cc1Cl ZINC000416828479 563861962 /nfs/dbraw/zinc/86/19/62/563861962.db2.gz DWQJDXXBGWLWID-RYUDHWBXSA-N 1 0 389.302 2.883 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)NCCSc2ccc(Cl)cc2)CC12CCOCC2 ZINC000416861691 563862546 /nfs/dbraw/zinc/86/25/46/563862546.db2.gz KPQUHFIZLLMKSI-AWEZNQCLSA-N 1 0 383.945 2.829 20 0 GFADRO CC[C@@H]([NH2+][C@@H]1CCc2nc[nH]c2C1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000368102568 563864152 /nfs/dbraw/zinc/86/41/52/563864152.db2.gz OUBOBVOVOQOWGP-TZMCWYRMSA-N 1 0 382.917 2.569 20 0 GFADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N1CC[C@@H]1c1cccc(Br)c1 ZINC000368173550 563865602 /nfs/dbraw/zinc/86/56/02/563865602.db2.gz LTKYYPCDZSBYHD-WMLDXEAASA-N 1 0 395.345 2.541 20 0 GFADRO O=C1[C@H]([NH2+]C2CCS(=O)(=O)CC2)CCCN1c1ccc(Cl)cc1Cl ZINC000368270128 563867246 /nfs/dbraw/zinc/86/72/46/563867246.db2.gz SGTOLUKXYXONGR-CQSZACIVSA-N 1 0 391.320 2.656 20 0 GFADRO COc1ccc(Br)c(CNC(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000417144316 563869152 /nfs/dbraw/zinc/86/91/52/563869152.db2.gz VHDVHARUUGVEQU-KRWDZBQOSA-N 1 0 382.302 2.743 20 0 GFADRO Cc1[nH+]c2ccc(Br)cc2c(NCc2cc(C(N)=O)no2)c1C ZINC000446859646 563869963 /nfs/dbraw/zinc/86/99/63/563869963.db2.gz CHFDEDSSLSCBLR-UHFFFAOYSA-N 1 0 375.226 2.735 20 0 GFADRO CC[C@@H]1C[N@H+](CC(=O)N2CCc3sccc3[C@@H]2c2cccs2)C[C@H]1O ZINC000368426526 563870694 /nfs/dbraw/zinc/87/06/94/563870694.db2.gz WKPCXLGXKAPVCZ-ZXYWRSMDSA-N 1 0 376.547 2.986 20 0 GFADRO O=C(NCCc1ccc(F)c(Br)c1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000417180061 563870910 /nfs/dbraw/zinc/87/09/10/563870910.db2.gz MZEVOTXDLLEWAY-KRWDZBQOSA-N 1 0 384.293 2.916 20 0 GFADRO CC(C)([NH3+])CNC(=O)NCC1(c2cccc(Br)c2)CCOCC1 ZINC000417187893 563871873 /nfs/dbraw/zinc/87/18/73/563871873.db2.gz WWLJTSJYQPDYCR-UHFFFAOYSA-N 1 0 384.318 2.534 20 0 GFADRO CN(CC[NH+](C)C)S(=O)(=O)c1cc(Br)cc(C(F)(F)F)c1 ZINC000447041865 563873086 /nfs/dbraw/zinc/87/30/86/563873086.db2.gz ZLMDOUCVHMFRPY-UHFFFAOYSA-N 1 0 389.237 2.650 20 0 GFADRO [NH3+][C@@H]1CCC[C@H](CNC(=O)NCCC(=O)Nc2ccc(Br)cc2)C1 ZINC000417224040 563874354 /nfs/dbraw/zinc/87/43/54/563874354.db2.gz LXWMFOVLHUJJGP-GXTWGEPZSA-N 1 0 397.317 2.594 20 0 GFADRO C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]Cc1ccc(S(C)(=O)=O)c(C(F)(F)F)c1 ZINC000447094418 563874720 /nfs/dbraw/zinc/87/47/20/563874720.db2.gz RSLMKGZLSDBHMR-ABAIWWIYSA-N 1 0 376.444 2.681 20 0 GFADRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)NCc1ccc(Cl)cc1I ZINC000418086672 563898110 /nfs/dbraw/zinc/89/81/10/563898110.db2.gz DCEQWZXXWABHNM-UFBFGSQYSA-N 1 0 393.656 2.576 20 0 GFADRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NC[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000417260928 563875927 /nfs/dbraw/zinc/87/59/27/563875927.db2.gz JYECHLROHLDLMH-CPUCHLNUSA-N 1 0 395.345 2.573 20 0 GFADRO O=C(NOCc1ccc(F)cc1Br)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000368701821 563877131 /nfs/dbraw/zinc/87/71/31/563877131.db2.gz MUZSNXSSRSOSFK-UONOGXRCSA-N 1 0 386.265 2.946 20 0 GFADRO C[C@H]1CN(S(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C[C@@H]1[NH3+] ZINC000447241818 563877988 /nfs/dbraw/zinc/87/79/88/563877988.db2.gz CPABSSMOFFAALX-CPCISQLKSA-N 1 0 376.322 2.692 20 0 GFADRO COCC1(CNC(=O)N[C@@H](C)c2ccc(Br)cc2)CC[NH2+]CC1 ZINC000417311969 563878165 /nfs/dbraw/zinc/87/81/65/563878165.db2.gz MVDAKKOXZSPAOR-ZDUSSCGKSA-N 1 0 384.318 2.826 20 0 GFADRO Cc1cc(Br)cc(C)c1S(=O)(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000447253191 563878466 /nfs/dbraw/zinc/87/84/66/563878466.db2.gz WSDDXDSUTLWOLJ-QEJZJMRPSA-N 1 0 387.343 2.814 20 0 GFADRO Cc1c(S(=O)(=O)N[C@H](C[NH3+])C2CCCC2)cnn1-c1ccc(Cl)cc1 ZINC000447259081 563878481 /nfs/dbraw/zinc/87/84/81/563878481.db2.gz VTVBDIQGCABLMB-MRXNPFEDSA-N 1 0 382.917 2.630 20 0 GFADRO COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+][C@@H]1CCN(CC(F)F)C1 ZINC000417376475 563878498 /nfs/dbraw/zinc/87/84/98/563878498.db2.gz BZUSNPZPMGJNDV-DGCLKSJQSA-N 1 0 375.847 2.995 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)NCC[C@H]1CCC[NH2+]1 ZINC000417370496 563878706 /nfs/dbraw/zinc/87/87/06/563878706.db2.gz SUYQEJBELFIEHN-CQSZACIVSA-N 1 0 397.317 2.527 20 0 GFADRO C[C@H](NC(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1)c1cc(Cl)ccc1Cl ZINC000417367568 563878740 /nfs/dbraw/zinc/87/87/40/563878740.db2.gz NYWFEEUOLSZVTO-RYUDHWBXSA-N 1 0 387.311 2.551 20 0 GFADRO COc1cc(CNC(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)cc(Br)c1OC ZINC000417374550 563878781 /nfs/dbraw/zinc/87/87/81/563878781.db2.gz KXVPCKYBDXDQSP-OLZOCXBDSA-N 1 0 398.301 2.502 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)NCc2cc(Br)ccc2OC(F)F)CC[NH2+]1 ZINC000417405094 563879333 /nfs/dbraw/zinc/87/93/33/563879333.db2.gz ICHCGALPYJZVNM-SKDRFNHKSA-N 1 0 392.244 2.990 20 0 GFADRO [NH3+][C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)/C=C/c1cc(Br)c2c(c1)OCCO2 ZINC000368814888 563879570 /nfs/dbraw/zinc/87/95/70/563879570.db2.gz XGJYIOFUSPUQNE-WHNZUBPUSA-N 1 0 393.281 2.714 20 0 GFADRO COC[C@H](C)OC[C@H](O)C[N@@H+]1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000447309806 563879740 /nfs/dbraw/zinc/87/97/40/563879740.db2.gz RHRJMMLLEHGANG-GZBFAFLISA-N 1 0 378.296 2.859 20 0 GFADRO C[C@H]([NH3+])CCNC(=O)NCC1(c2ccc(Br)cc2)CCOCC1 ZINC000417436311 563880212 /nfs/dbraw/zinc/88/02/12/563880212.db2.gz ZVPXXAFOMIQGSN-ZDUSSCGKSA-N 1 0 384.318 2.534 20 0 GFADRO [NH3+]C[C@@H](NC(=O)NCC1(c2ccc(Br)cc2)CCOCC1)C1CC1 ZINC000417426009 563880298 /nfs/dbraw/zinc/88/02/98/563880298.db2.gz FOZGHQXYXDCGEZ-MRXNPFEDSA-N 1 0 396.329 2.534 20 0 GFADRO CCC([NH3+])(CC)CNC(=O)N[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000417476699 563880466 /nfs/dbraw/zinc/88/04/66/563880466.db2.gz FBAVDWGMCYMTJB-AWEZNQCLSA-N 1 0 383.334 2.845 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)N(C)CC(C)(C)C[NH3+] ZINC000417478353 563880864 /nfs/dbraw/zinc/88/08/64/563880864.db2.gz DJIAVOLQYSGIKK-UHFFFAOYSA-N 1 0 399.333 2.712 20 0 GFADRO C[C@@H](CNC(=O)N1CCN([C@H]2CC[NH2+]C2)CC1)c1c(Cl)cccc1Cl ZINC000417483051 563881090 /nfs/dbraw/zinc/88/10/90/563881090.db2.gz JMCVRBDFXSBKDZ-KBPBESRZSA-N 1 0 385.339 2.786 20 0 GFADRO CC1(CNC(=O)N[C@@H]2CCN(c3ccc(Br)cc3)C2)CC[NH2+]CC1 ZINC000417480911 563881131 /nfs/dbraw/zinc/88/11/31/563881131.db2.gz NERCDGPSKYHQPV-OAHLLOKOSA-N 1 0 395.345 2.717 20 0 GFADRO Cc1cc(NC(=O)Nc2ccn(CC[NH+](C)C)n2)cc(F)c1Br ZINC000417521930 563881435 /nfs/dbraw/zinc/88/14/35/563881435.db2.gz FOFJECUSKDAONH-UHFFFAOYSA-N 1 0 384.253 3.299 20 0 GFADRO [NH3+]C[C@@H]1CCN(C(=O)NC2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)C1 ZINC000417561328 563883327 /nfs/dbraw/zinc/88/33/27/563883327.db2.gz AWCOYPAFMCXZNW-AWEZNQCLSA-N 1 0 385.339 2.948 20 0 GFADRO C[C@H](CO)[N@@H+]1CCCN(C(=O)[C@@H](C)Sc2nc3ccccc3s2)CC1 ZINC000368976662 563883467 /nfs/dbraw/zinc/88/34/67/563883467.db2.gz XYVGNASQVYAZKV-ZIAGYGMSSA-N 1 0 379.551 2.692 20 0 GFADRO C[C@H]([NH2+]CC1(N2CCOCC2)CC1)c1ccccc1I ZINC000447591954 563883745 /nfs/dbraw/zinc/88/37/45/563883745.db2.gz GFWIYRGORIZJSE-ZDUSSCGKSA-N 1 0 386.277 2.807 20 0 GFADRO [NH3+][C@@H]1CCC[C@H](NC(=O)N[C@H]2CCN(c3ccccc3Br)C2)C1 ZINC000417590429 563885169 /nfs/dbraw/zinc/88/51/69/563885169.db2.gz BPVKSDFFDJKUCJ-RDBSUJKOSA-N 1 0 381.318 2.597 20 0 GFADRO [NH3+]C1CCC(NC(=O)N[C@@H]2CCN(c3ccccc3Br)C2)CC1 ZINC000417604441 563885923 /nfs/dbraw/zinc/88/59/23/563885923.db2.gz USIRMPZIPVMJDZ-JXQTWKCFSA-N 1 0 381.318 2.597 20 0 GFADRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)NCCOc1ncc(C(F)(F)F)cc1Cl ZINC000417741621 563888704 /nfs/dbraw/zinc/88/87/04/563888704.db2.gz UWIAQLGIFCXFRI-VHSXEESVSA-N 1 0 380.798 2.524 20 0 GFADRO C[C@@H]1CN(C(=O)NCCOc2ncc(C(F)(F)F)cc2Cl)[C@@H](C)C[NH2+]1 ZINC000417741623 563888820 /nfs/dbraw/zinc/88/88/20/563888820.db2.gz UWIAQLGIFCXFRI-ZJUUUORDSA-N 1 0 380.798 2.524 20 0 GFADRO C[C@@H](CNC(=O)NCC[C@H]1CCC[NH2+]C1)Oc1ccc(Br)cc1 ZINC000417777860 563889165 /nfs/dbraw/zinc/88/91/65/563889165.db2.gz SDDCUTBPHBVGCX-UONOGXRCSA-N 1 0 384.318 2.905 20 0 GFADRO CC[C@@H](NC(=O)NC[C@]1(COC)CCC[NH2+]1)c1nc(C(F)(F)F)cs1 ZINC000417782609 563889330 /nfs/dbraw/zinc/88/93/30/563889330.db2.gz LPZGWKDELFJZEC-YGRLFVJLSA-N 1 0 380.436 2.681 20 0 GFADRO C[C@H]([NH3+])C1CCN(C(=O)NC[C@H](C)Oc2ccc(Br)cc2)CC1 ZINC000417782549 563889442 /nfs/dbraw/zinc/88/94/42/563889442.db2.gz YDOWHONEDUXGED-STQMWFEESA-N 1 0 384.318 2.985 20 0 GFADRO C[C@H](CNC(=O)N1CCC[C@H](CC[NH3+])C1)Oc1cccc(Br)c1 ZINC000417803024 563889716 /nfs/dbraw/zinc/88/97/16/563889716.db2.gz XTGXAPFDJUMSQL-ZIAGYGMSSA-N 1 0 384.318 2.987 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2ccc(OC(F)F)c(F)c2)[C@@H](C)C1 ZINC000447876286 563889916 /nfs/dbraw/zinc/88/99/16/563889916.db2.gz ZOBROUGGMRMGLR-FZMZJTMJSA-N 1 0 380.432 2.778 20 0 GFADRO O=C(NCCOc1c(Cl)cc(Cl)cc1Cl)NC[C@@H]1C[NH2+]CCCO1 ZINC000417825333 563889949 /nfs/dbraw/zinc/88/99/49/563889949.db2.gz BBXYTHCGLHUGSE-NSHDSACASA-N 1 0 396.702 2.703 20 0 GFADRO C[C@H](CCC[NH3+])NC(=O)N[C@H](C)c1nc(-c2ccc(Br)cc2)no1 ZINC000417878344 563890408 /nfs/dbraw/zinc/89/04/08/563890408.db2.gz AQJMUOHERTYFEG-GHMZBOCLSA-N 1 0 396.289 2.987 20 0 GFADRO CC[NH2+][C@H](C)CNC(=O)N[C@@H](C)c1nc(-c2ccc(Br)cc2)no1 ZINC000417892350 563890781 /nfs/dbraw/zinc/89/07/81/563890781.db2.gz MAGAVARQQIFLNK-MNOVXSKESA-N 1 0 396.289 2.857 20 0 GFADRO C[NH+]1CCC(N2CC[C@H](NC(=O)CSCc3ccc(Cl)cc3)C2)CC1 ZINC000369276913 563891337 /nfs/dbraw/zinc/89/13/37/563891337.db2.gz JDMXLDIKJBGWQD-KRWDZBQOSA-N 1 0 381.973 2.858 20 0 GFADRO Cc1nn(C)c(C[NH2+]C2CCN(C(=O)c3ccoc3C)CC2)c1Br ZINC000369292566 563891492 /nfs/dbraw/zinc/89/14/92/563891492.db2.gz GAELRQUPPUXIRX-UHFFFAOYSA-N 1 0 395.301 2.787 20 0 GFADRO O=C(NCc1ccc(Br)cc1C(F)(F)F)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000417955591 563892214 /nfs/dbraw/zinc/89/22/14/563892214.db2.gz RKOJZZNAOLTWEA-PHIMTYICSA-N 1 0 392.219 2.829 20 0 GFADRO C[C@@H](Cc1cc(Br)ccc1F)NC(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000417938879 563892390 /nfs/dbraw/zinc/89/23/90/563892390.db2.gz JEKNRCQOCXWQCN-ZANVPECISA-N 1 0 394.235 2.816 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+][C@H](CO)[C@H]1CCCO1 ZINC000447975318 563892627 /nfs/dbraw/zinc/89/26/27/563892627.db2.gz HAGLMQROZBTZTK-IAGOWNOFSA-N 1 0 380.286 2.573 20 0 GFADRO CC(C)(C[NH3+])NC(=O)NCCOc1ccc(Br)cc1C(F)(F)F ZINC000417961967 563893204 /nfs/dbraw/zinc/89/32/04/563893204.db2.gz YZZSRKPBJGMKTK-UHFFFAOYSA-N 1 0 398.223 2.883 20 0 GFADRO CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)NCC[C@H]1CCC[NH2+]1 ZINC000417970878 563893211 /nfs/dbraw/zinc/89/32/11/563893211.db2.gz ALYDZTRRWVYVKK-MAZHCROVSA-N 1 0 384.318 2.966 20 0 GFADRO O[C@@H](C[NH2+]C1CC2(CCC2)C1)COc1ccc(I)cc1 ZINC000448067476 563893796 /nfs/dbraw/zinc/89/37/96/563893796.db2.gz QJJYUGQVWDINKC-AWEZNQCLSA-N 1 0 387.261 2.953 20 0 GFADRO [NH3+]C1CCC(NC(=O)N[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)CC1 ZINC000417999253 563894737 /nfs/dbraw/zinc/89/47/37/563894737.db2.gz VXUVMUSCJJRYCS-NWHVRFAMSA-N 1 0 385.295 2.668 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)NCCc2c[nH]c3ccc(Br)cc23)CC[NH2+]1 ZINC000418004695 563895148 /nfs/dbraw/zinc/89/51/48/563895148.db2.gz OMACCXHJZYXNDT-BXUZGUMPSA-N 1 0 379.302 2.913 20 0 GFADRO Cc1cc(Br)cn2cc(CCNC(=O)N[C@@H]3CCC[C@H]([NH3+])C3)nc12 ZINC000418021126 563895732 /nfs/dbraw/zinc/89/57/32/563895732.db2.gz OYHZTHLIIDMUGU-UONOGXRCSA-N 1 0 394.317 2.517 20 0 GFADRO CCCOC[C@@H](Cc1cccc(Br)c1)NC(=O)N[C@@H]1CCC[NH2+]C1 ZINC000418026417 563895799 /nfs/dbraw/zinc/89/57/99/563895799.db2.gz HEBWPJUBMDYUIO-IAGOWNOFSA-N 1 0 398.345 2.838 20 0 GFADRO CCCOC[C@@H](Cc1cccc(Br)c1)NC(=O)N(C)C1CC([NH3+])C1 ZINC000418034325 563896604 /nfs/dbraw/zinc/89/66/04/563896604.db2.gz SQIHWIJNHBCWEB-AQFXKWCLSA-N 1 0 398.345 2.918 20 0 GFADRO [NH3+]C[C@@H]1CCCCN1C(=O)N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000418056327 563896894 /nfs/dbraw/zinc/89/68/94/563896894.db2.gz CNOOKIYDPINWSN-JSGCOSHPSA-N 1 0 385.295 2.622 20 0 GFADRO CC1(NC(=O)N[C@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)CC[NH2+]CC1 ZINC000418079490 563897706 /nfs/dbraw/zinc/89/77/06/563897706.db2.gz KUQGQDLZXRYPBJ-ZDUSSCGKSA-N 1 0 385.295 2.540 20 0 GFADRO Cc1ccc(CC(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)c(Br)c1 ZINC000448627214 563899212 /nfs/dbraw/zinc/89/92/12/563899212.db2.gz HHDJUEICULNWQB-HUUCEWRRSA-N 1 0 383.330 2.916 20 0 GFADRO [NH3+]CCC[C@@H](NC(=O)NCCCn1cc(Br)cn1)c1ccccc1 ZINC000418193545 563900718 /nfs/dbraw/zinc/90/07/18/563900718.db2.gz NTQMGDHKLKIJBW-MRXNPFEDSA-N 1 0 394.317 2.815 20 0 GFADRO Cc1cc(Br)cc(C)c1N1CCC[C@@H](NC(=O)NCCC[NH3+])C1 ZINC000418174560 563900763 /nfs/dbraw/zinc/90/07/63/563900763.db2.gz DLZJBBOFTZEYGW-OAHLLOKOSA-N 1 0 383.334 2.683 20 0 GFADRO O=C(NCCCn1cc(Br)cn1)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1 ZINC000418191460 563900793 /nfs/dbraw/zinc/90/07/93/563900793.db2.gz KVYFJHJQDRPRIX-GOEBONIOSA-N 1 0 398.349 2.599 20 0 GFADRO O=C(c1ccccc1-n1cc(Br)cn1)N1CC[NH+](CC2CC2)CC1 ZINC000448743819 563900903 /nfs/dbraw/zinc/90/09/03/563900903.db2.gz KEJCEBZTJMRPTI-UHFFFAOYSA-N 1 0 389.297 2.803 20 0 GFADRO C[C@@H](CNC(=O)c1ccc(I)cc1F)[N@H+](C)C1CC1 ZINC000448890795 563902636 /nfs/dbraw/zinc/90/26/36/563902636.db2.gz MSGJZNBQHISSKA-VIFPVBQESA-N 1 0 376.213 2.643 20 0 GFADRO C[NH+](C)C1CCN(C(=O)c2ccccc2-n2cc(Br)cn2)CC1 ZINC000448942213 563903525 /nfs/dbraw/zinc/90/35/25/563903525.db2.gz QJGWGIDODJPFQW-UHFFFAOYSA-N 1 0 377.286 2.801 20 0 GFADRO Cc1cc(Br)c(C[NH2+]CCCN2CCC[C@H]2C(N)=O)cc1Cl ZINC000449128519 563907076 /nfs/dbraw/zinc/90/70/76/563907076.db2.gz ZJYPZHTZLROPDY-HNNXBMFYSA-N 1 0 388.737 2.840 20 0 GFADRO C[C@H](COc1ccc(Cl)c(Cl)c1)[NH2+][C@H]1CCN(c2cnn(C)c2)C1=O ZINC000449153154 563907514 /nfs/dbraw/zinc/90/75/14/563907514.db2.gz CNSUZIZFTLUOSN-BZNIZROVSA-N 1 0 383.279 2.889 20 0 GFADRO CCNC(=O)N1CC[C@@H]([NH2+]Cc2ccnc3c(Br)cccc23)C1 ZINC000449181151 563907735 /nfs/dbraw/zinc/90/77/35/563907735.db2.gz FGBZCSXFJYUBAH-CYBMUJFWSA-N 1 0 377.286 2.891 20 0 GFADRO CS(=O)(=O)N1CCC[C@@H]1C[NH2+]Cc1ccnc2c(Br)cccc12 ZINC000449213245 563908135 /nfs/dbraw/zinc/90/81/35/563908135.db2.gz JTDLRKRCENEJJZ-CYBMUJFWSA-N 1 0 398.326 2.511 20 0 GFADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+]CCN1CCCCC1 ZINC000449218201 563908281 /nfs/dbraw/zinc/90/82/81/563908281.db2.gz GGPRBDDFXSTKMD-CQSZACIVSA-N 1 0 398.345 2.538 20 0 GFADRO C[C@H](COc1ccc(Cl)c(Cl)c1)[NH2+]C[C@H]1CCCN1S(C)(=O)=O ZINC000449214640 563908366 /nfs/dbraw/zinc/90/83/66/563908366.db2.gz LVEARXCUBXPYHD-VXGBXAGGSA-N 1 0 381.325 2.774 20 0 GFADRO CS(=O)(=O)N[C@@H]1CCCC[C@@H]1[NH2+]Cc1cnc(-c2ccccc2F)s1 ZINC000449253490 564177822 /nfs/dbraw/zinc/17/78/22/564177822.db2.gz VPTPCGAPRHJNOU-JKSUJKDBSA-N 1 0 383.514 2.899 20 0 GFADRO C[C@H]([NH2+]CCS(=O)(=O)NC(C)(C)C)c1ccc(F)c(Br)c1 ZINC000537939765 564178769 /nfs/dbraw/zinc/17/87/69/564178769.db2.gz DOTJUDRQCHYQGW-JTQLQIEISA-N 1 0 381.311 2.957 20 0 GFADRO CCN(CCC[NH+](C)C)C(=O)CSc1nncn1-c1cccc(Cl)c1 ZINC000470844135 564179098 /nfs/dbraw/zinc/17/90/98/564179098.db2.gz IWYGSSBHPFIBRS-UHFFFAOYSA-N 1 0 381.933 2.813 20 0 GFADRO C[C@H](O)C[N@@H+]1CCN(Cc2ccnc3c(Br)cccc23)[C@@H](C)C1 ZINC000449296032 564179283 /nfs/dbraw/zinc/17/92/83/564179283.db2.gz WXCVWVXRTNBEQI-KBPBESRZSA-N 1 0 378.314 2.884 20 0 GFADRO CC(C)[NH+](CCN(C)C(=O)C(=O)Nc1cccc(Br)c1)C(C)C ZINC000505310166 564180218 /nfs/dbraw/zinc/18/02/18/564180218.db2.gz DHAWHVDVUPAOBD-UHFFFAOYSA-N 1 0 384.318 2.965 20 0 GFADRO C[N@H+](Cc1cc(Br)ccc1OC(F)F)[C@@H]1CCN2CCO[C@H]1C2 ZINC000449360771 564181688 /nfs/dbraw/zinc/18/16/88/564181688.db2.gz IJLSVDNUOYLSNJ-HIFRSBDPSA-N 1 0 391.256 2.955 20 0 GFADRO CN(C)C(=O)CCN1CCC([NH2+][C@@H]2CCc3c2cccc3Br)CC1 ZINC000538101499 564182546 /nfs/dbraw/zinc/18/25/46/564182546.db2.gz SQPHXEOHGGRSEF-GOSISDBHSA-N 1 0 394.357 2.969 20 0 GFADRO CC(C)(C)CC(=O)N1CCC([NH2+]CCn2cc(Br)ccc2=O)CC1 ZINC000449376042 564183190 /nfs/dbraw/zinc/18/31/90/564183190.db2.gz KEEGVHFLLPAJLB-UHFFFAOYSA-N 1 0 398.345 2.628 20 0 GFADRO C[C@H](CC(=O)Nc1ccc(F)cc1)[NH2+]CCn1cc(Br)ccc1=O ZINC000449379621 564183482 /nfs/dbraw/zinc/18/34/82/564183482.db2.gz UIARFFBMYHFLKN-GFCCVEGCSA-N 1 0 396.260 2.757 20 0 GFADRO OCCN1CCCC[C@H]1C[NH2+]Cc1ccc(Br)c2cccnc12 ZINC000449395388 564184869 /nfs/dbraw/zinc/18/48/69/564184869.db2.gz PSLQLSIOUBYCPO-HNNXBMFYSA-N 1 0 378.314 2.934 20 0 GFADRO COc1cc(Br)c(C[N@@H+]2C[C@H](O)C[C@@H]2[C@@H]2CCCOC2)cc1O ZINC000449434225 564186972 /nfs/dbraw/zinc/18/69/72/564186972.db2.gz PYQZXBGPGUAAEF-UXIGCNINSA-N 1 0 386.286 2.525 20 0 GFADRO CN(Cc1ccccc1Br)C(=O)C[N@@H+]1CC[C@H](c2nccn2C)C1 ZINC000563357039 564187281 /nfs/dbraw/zinc/18/72/81/564187281.db2.gz ZQAWZNXZHPHLDH-HNNXBMFYSA-N 1 0 391.313 2.631 20 0 GFADRO C[NH+](C)CCN(C(=O)c1cc(I)c(F)cc1F)C1CC1 ZINC000505682750 564187726 /nfs/dbraw/zinc/18/77/26/564187726.db2.gz STUQYCUCRSNFHE-UHFFFAOYSA-N 1 0 394.203 2.736 20 0 GFADRO CCCN(CCC[NH+](C)C)C(=O)C(=O)Nc1c(F)cccc1Br ZINC000471186522 564188087 /nfs/dbraw/zinc/18/80/87/564188087.db2.gz LRACTODCPUIIKX-UHFFFAOYSA-N 1 0 388.281 2.717 20 0 GFADRO CC1(C)CC[N@H+](CC(=O)Nc2cc(Br)ccc2N2CCOCC2)C1 ZINC000563370215 564188628 /nfs/dbraw/zinc/18/86/28/564188628.db2.gz XJWSEZYUNRWQPT-UHFFFAOYSA-N 1 0 396.329 2.956 20 0 GFADRO CCOC(=O)[C@@H]1CCCC[C@@H]1[NH2+]Cc1ncc(I)s1 ZINC000449510456 564188744 /nfs/dbraw/zinc/18/87/44/564188744.db2.gz LIWSZOINRPHOCX-ZJUUUORDSA-N 1 0 394.278 2.959 20 0 GFADRO COc1ccc(C[NH2+]C[C@@H](CO)Cc2ccc(OC)c(Br)c2)cn1 ZINC000449600922 564191892 /nfs/dbraw/zinc/19/18/92/564191892.db2.gz PTOAUWRQXPHDEX-HNNXBMFYSA-N 1 0 395.297 2.802 20 0 GFADRO O=C(NC[C@H]1CCC[NH2+]1)Nc1ccnn1Cc1cccc(Br)c1 ZINC000563489394 564193371 /nfs/dbraw/zinc/19/33/71/564193371.db2.gz NPXURCOTHPFDIE-CQSZACIVSA-N 1 0 378.274 2.567 20 0 GFADRO CC[NH+](CC)[C@H](C)CNC(=O)[C@H]1CSCN1C(=O)c1ccc(Cl)cc1 ZINC000471376045 564193795 /nfs/dbraw/zinc/19/37/95/564193795.db2.gz LIBSLTFJCOAKSS-CZUORRHYSA-N 1 0 383.945 2.702 20 0 GFADRO O=C(CC[N@@H+]1CCc2ccccc2C1)Nc1c[nH]cc(Br)c1=O ZINC000471363611 564193856 /nfs/dbraw/zinc/19/38/56/564193856.db2.gz OQMNHLIECPSRBI-UHFFFAOYSA-N 1 0 376.254 2.524 20 0 GFADRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)NCCOc2ncc(Cl)cc2Cl)C1 ZINC000563515802 564194110 /nfs/dbraw/zinc/19/41/10/564194110.db2.gz ODJOPCNUICVQRO-CYBMUJFWSA-N 1 0 375.300 2.891 20 0 GFADRO NC(=O)c1ccc(C[NH2+]C[C@H](CO)Cc2ccc(F)c(Br)c2)cc1 ZINC000449677847 564194732 /nfs/dbraw/zinc/19/47/32/564194732.db2.gz DABXSDBLVLUYFI-CQSZACIVSA-N 1 0 395.272 2.628 20 0 GFADRO C[C@H](NC(=O)NCC1CC[NH2+]CC1)c1cc2c(cc1Br)OCCO2 ZINC000563550620 564195931 /nfs/dbraw/zinc/19/59/31/564195931.db2.gz YUOOCVMPOGZHDV-NSHDSACASA-N 1 0 398.301 2.580 20 0 GFADRO COC1(C[NH2+]C[C@H](CO)Cc2cccc(Br)c2C)CCOCC1 ZINC000449685594 564196947 /nfs/dbraw/zinc/19/69/47/564196947.db2.gz SRSHLGJAWGEIEK-OAHLLOKOSA-N 1 0 386.330 2.694 20 0 GFADRO CO[C@@H]1CCN(C(=O)NCc2ccc(-c3csc(C)n3)s2)[C@@H](C[NH3+])C1 ZINC000563560723 564197132 /nfs/dbraw/zinc/19/71/32/564197132.db2.gz VXBYQWZWLOHIPT-CHWSQXEVSA-N 1 0 380.539 2.828 20 0 GFADRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)Cc2ccc(Br)cc2)C1 ZINC000471550163 564197830 /nfs/dbraw/zinc/19/78/30/564197830.db2.gz HEZUIIONKMYKIX-KRWDZBQOSA-N 1 0 383.330 2.951 20 0 GFADRO Cc1sc2ncnc(SCC(=O)N[C@H](CC[NH3+])C(F)(F)F)c2c1C ZINC000449725671 564198665 /nfs/dbraw/zinc/19/86/65/564198665.db2.gz VLLZKENOPTVMMY-SECBINFHSA-N 1 0 378.445 2.796 20 0 GFADRO Cc1ccc(O[C@H](C)C(=O)N[C@@H](CC[NH3+])C(F)(F)F)c(Br)c1 ZINC000449724187 564198865 /nfs/dbraw/zinc/19/88/65/564198865.db2.gz SOYVZVXARGEIMP-SKDRFNHKSA-N 1 0 383.208 2.921 20 0 GFADRO [NH3+]C[C@H]1CC[C@@H](NC(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CCCC2)C1 ZINC000449723668 564198771 /nfs/dbraw/zinc/19/87/71/564198771.db2.gz XLBBOKDVWSPTHG-DZGCQCFKSA-N 1 0 384.929 2.670 20 0 GFADRO [NH3+]C[C@@H]1CC[C@H](NC(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)C1 ZINC000449717359 564198809 /nfs/dbraw/zinc/19/88/09/564198809.db2.gz MXURQBXUJXKPKG-FFSVYQOJSA-N 1 0 384.307 2.842 20 0 GFADRO [NH3+]C[C@H]1CC[C@H](NC(=O)c2nn(-c3ccc(F)cc3)cc2Br)C1 ZINC000449729495 564199608 /nfs/dbraw/zinc/19/96/08/564199608.db2.gz ZWRCLHMDIYPAAK-JQWIXIFHSA-N 1 0 381.249 2.631 20 0 GFADRO Cc1cc(Cl)ccc1C[N@H+](C)CCOc1ccc(S(N)(=O)=O)cc1F ZINC000449759915 564200442 /nfs/dbraw/zinc/20/04/42/564200442.db2.gz ZWCUEEAAEMARAN-UHFFFAOYSA-N 1 0 386.876 2.946 20 0 GFADRO Fc1cc(F)cc(CNc2cc(N3CCOCC3)c(Br)c[nH+]2)c1 ZINC000449766379 564200628 /nfs/dbraw/zinc/20/06/28/564200628.db2.gz NFYHLCKDJIOHSV-UHFFFAOYSA-N 1 0 384.224 3.571 20 0 GFADRO C[NH+]1CCN(CCNC(=O)Cc2csc3ccc(Br)cc23)CC1 ZINC000471631059 564200692 /nfs/dbraw/zinc/20/06/92/564200692.db2.gz ZXVHCGMMJWVGMI-UHFFFAOYSA-N 1 0 396.354 2.570 20 0 GFADRO O=C(CCCOc1cccc(Br)c1)N[C@H](CO)C[NH+]1CCCCC1 ZINC000563658205 564201061 /nfs/dbraw/zinc/20/10/61/564201061.db2.gz VRPVTVDGJMZDEA-INIZCTEOSA-N 1 0 399.329 2.571 20 0 GFADRO CCOCC[NH+]1CCN(Cc2cnn(-c3ccc(Br)cc3)c2)CC1 ZINC000506442384 564202190 /nfs/dbraw/zinc/20/21/90/564202190.db2.gz DPWYCWXHVACECN-UHFFFAOYSA-N 1 0 393.329 2.789 20 0 GFADRO CN(CC[NH+]1CCCC1)C(=O)c1c(F)cccc1I ZINC000471782308 564204088 /nfs/dbraw/zinc/20/40/88/564204088.db2.gz UCEDNOBAIQWSDQ-UHFFFAOYSA-N 1 0 376.213 2.598 20 0 GFADRO O=C(N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000471900494 564206132 /nfs/dbraw/zinc/20/61/32/564206132.db2.gz QHRCIEWEIXEUPX-PVXIVEMSSA-N 1 0 382.277 2.980 20 0 GFADRO O=C(N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000471900493 564206171 /nfs/dbraw/zinc/20/61/71/564206171.db2.gz QHRCIEWEIXEUPX-DETPVDSQSA-N 1 0 382.277 2.980 20 0 GFADRO COc1ccc(SCCC(=O)N2C[C@@H](SC)[C@@H]([NH+](C)C)C2)cc1OC ZINC000539025414 564207373 /nfs/dbraw/zinc/20/73/73/564207373.db2.gz JATDSBOYDTWSAJ-WMLDXEAASA-N 1 0 384.567 2.690 20 0 GFADRO Cc1c(I)cccc1C(=O)N[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000471953668 564208015 /nfs/dbraw/zinc/20/80/15/564208015.db2.gz KFGMFPREUJTRFC-BMIGLBTASA-N 1 0 384.261 2.812 20 0 GFADRO CSCC[C@@H](CO)[NH2+][C@H](C)CC(=O)Nc1ccc(Br)cc1 ZINC000539065411 564208310 /nfs/dbraw/zinc/20/83/10/564208310.db2.gz ISGLNMPNIRYLRD-RISCZKNCSA-N 1 0 375.332 2.870 20 0 GFADRO CC(C)N1C[C@H]([NH2+][C@@H](C)CC(=O)Nc2cccc(Br)c2)CC1=O ZINC000539083030 564208415 /nfs/dbraw/zinc/20/84/15/564208415.db2.gz LIMYAICORXEJTQ-SWLSCSKDSA-N 1 0 382.302 2.765 20 0 GFADRO Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)[NH2+]C[C@@H]1CS(=O)(=O)CCO1 ZINC000539050002 564208895 /nfs/dbraw/zinc/20/88/95/564208895.db2.gz UXIJYKHHXLEAMR-CZUORRHYSA-N 1 0 380.535 2.891 20 0 GFADRO C[C@@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH2+][C@H]1CC(=O)N(C)C1 ZINC000539069632 564208908 /nfs/dbraw/zinc/20/89/08/564208908.db2.gz PRMMLIWSUYUUCM-ONGXEEELSA-N 1 0 377.794 2.896 20 0 GFADRO CN(C(=O)c1ccc(I)cc1F)[C@H]1CCC[N@H+](C)C1 ZINC000449944738 564210689 /nfs/dbraw/zinc/21/06/89/564210689.db2.gz KJTAVSROPLBFRD-NSHDSACASA-N 1 0 376.213 2.597 20 0 GFADRO CC[NH+](CC)[C@@H]1CCN(C(=O)c2c(F)cccc2I)C1 ZINC000472031831 564211234 /nfs/dbraw/zinc/21/12/34/564211234.db2.gz LUYFFTWYAPQGOU-LLVKDONJSA-N 1 0 390.240 2.987 20 0 GFADRO CC(C)[C@@H](CNc1ncc2scc(Br)c2n1)[NH+]1CCN(C)CC1 ZINC000563898248 564211731 /nfs/dbraw/zinc/21/17/31/564211731.db2.gz GQPAIGRCOAUJRR-CYBMUJFWSA-N 1 0 398.374 3.138 20 0 GFADRO CC[NH+](CC)C[C@H](C)NC(=O)c1ccc(OC)cc1I ZINC000472057104 564212071 /nfs/dbraw/zinc/21/20/71/564212071.db2.gz DNCUPRPUKRDVNQ-NSHDSACASA-N 1 0 390.265 2.760 20 0 GFADRO C[NH+](C)CCOC1CCN(C(=O)c2c[nH]c3ncc(Br)cc23)CC1 ZINC000472160299 564214719 /nfs/dbraw/zinc/21/47/19/564214719.db2.gz UUMDNJHXEJUQHD-UHFFFAOYSA-N 1 0 395.301 2.508 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)c2c(F)cccc2I)CC[N@@H+]1C ZINC000472245494 564217132 /nfs/dbraw/zinc/21/71/32/564217132.db2.gz CCIIABKUMJEEHO-NXEZZACHSA-N 1 0 376.213 2.643 20 0 GFADRO CN(CCC[NH+](C)C)C(=O)[C@@H](c1ccc(Cl)cc1Cl)N1CCOCC1 ZINC000539418201 564219304 /nfs/dbraw/zinc/21/93/04/564219304.db2.gz XHMAGKRURJPYEM-QGZVFWFLSA-N 1 0 388.339 2.777 20 0 GFADRO CN(C)S(=O)(=O)N1CCCC[C@@H]1C[NH2+]C1CC(c2cccc(Cl)c2)C1 ZINC000564147295 564221898 /nfs/dbraw/zinc/22/18/98/564221898.db2.gz GHVOFXMDKSMMHO-VMWRSERWSA-N 1 0 385.961 2.837 20 0 GFADRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1Nc1cc(Br)cnc1C(N)=O ZINC000472491072 564224569 /nfs/dbraw/zinc/22/45/69/564224569.db2.gz AFAQZFOOQYXZJA-LRDDRELGSA-N 1 0 389.297 2.875 20 0 GFADRO CC[N@@H+]1CCC[C@H](CNC(=O)NCc2cc(OC)ccc2Br)C1 ZINC000507381136 564227166 /nfs/dbraw/zinc/22/71/66/564227166.db2.gz RTXPXZXFJVIWQU-CYBMUJFWSA-N 1 0 384.318 2.989 20 0 GFADRO CCN1CCN(C(=O)C(=O)Nc2ccc(Br)c(Cl)c2)[C@H](C)C1 ZINC000507408852 564228207 /nfs/dbraw/zinc/22/82/07/564228207.db2.gz UDPHKYLMLPBGKI-SNVBAGLBSA-N 1 0 388.693 2.594 20 0 GFADRO Brc1ccc2c(c1)ncnc2N1CC[NH+](CC2CCOCC2)CC1 ZINC000450341877 564228742 /nfs/dbraw/zinc/22/87/42/564228742.db2.gz NWFKMUYFAAARKP-UHFFFAOYSA-N 1 0 391.313 2.941 20 0 GFADRO CS(=O)(=O)N(CC(F)(F)F)C1CC[NH+](C[C@@H]2CCC(F)(F)C2)CC1 ZINC000450403685 564232134 /nfs/dbraw/zinc/23/21/34/564232134.db2.gz LUIMIJDABWZEKO-LLVKDONJSA-N 1 0 378.407 2.710 20 0 GFADRO CCC[N@H+](CC)C[C@H](C)NS(=O)(=O)Cc1ccc(Br)cc1 ZINC000564403231 564233041 /nfs/dbraw/zinc/23/30/41/564233041.db2.gz IGOXPKBKHRZWAW-ZDUSSCGKSA-N 1 0 377.348 2.989 20 0 GFADRO Cc1c(Br)cccc1NC(=O)C(=O)N1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC000507639714 564236234 /nfs/dbraw/zinc/23/62/34/564236234.db2.gz GHMBKOLNTDUQKB-OCCSQVGLSA-N 1 0 394.313 2.781 20 0 GFADRO O=C(Nc1ccccc1Br)C1CC[NH+](C[C@H]2COCCO2)CC1 ZINC000450548441 564238961 /nfs/dbraw/zinc/23/89/61/564238961.db2.gz HSMVNHREQJHTQY-AWEZNQCLSA-N 1 0 383.286 2.515 20 0 GFADRO O=C([C@@H]1C[C@]12CCc1cc(Br)ccc12)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000564568451 564239874 /nfs/dbraw/zinc/23/98/74/564239874.db2.gz RSQUAGKRNBPMHL-IPQUUHLSSA-N 1 0 375.310 2.721 20 0 GFADRO COc1cccc2c1CC[C@@H]2[NH2+]CCNS(=O)(=O)c1cc(C)sc1C ZINC000540148305 564240468 /nfs/dbraw/zinc/24/04/68/564240468.db2.gz YLAYQUWCQNAEHL-INIZCTEOSA-N 1 0 380.535 2.929 20 0 GFADRO Cc1ccc(Br)c(C)c1C(=O)N[C@H](C)CC[NH+]1CCN(C)CC1 ZINC000564593301 564241048 /nfs/dbraw/zinc/24/10/48/564241048.db2.gz LOUBTTMBVSRQGD-CQSZACIVSA-N 1 0 382.346 2.822 20 0 GFADRO COc1cc([C@@H](C)[NH2+]CCS(=O)(=O)NC(C)(C)C)ccc1OC(F)F ZINC000540143751 564241238 /nfs/dbraw/zinc/24/12/38/564241238.db2.gz QXJSGOMGRHKXJK-LLVKDONJSA-N 1 0 380.457 2.665 20 0 GFADRO CC(C)C[C@@H](Cc1cccc(Br)c1)C(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000564650782 564243595 /nfs/dbraw/zinc/24/35/95/564243595.db2.gz CUUXLMLZZATZDF-WMZOPIPTSA-N 1 0 396.373 2.674 20 0 GFADRO CC(C)C[C@H](Cc1cccc(Br)c1)C(=O)NC[C@H]1C[NH2+]CCN1C ZINC000564650776 564243916 /nfs/dbraw/zinc/24/39/16/564243916.db2.gz CUUXLMLZZATZDF-SJLPKXTDSA-N 1 0 396.373 2.674 20 0 GFADRO O=C(CCC[N@@H+]1CC[C@H](NC(=O)NC2CC2)C1)c1ccc(Br)cc1 ZINC000450744669 564245865 /nfs/dbraw/zinc/24/58/65/564245865.db2.gz AICYHMXCOWTERV-INIZCTEOSA-N 1 0 394.313 2.948 20 0 GFADRO Cn1c(-c2ccc(Br)cc2)nnc1N1CC[NH+](C2CCC2)CC1 ZINC000507866291 564245912 /nfs/dbraw/zinc/24/59/12/564245912.db2.gz MHYJHWUGFQRKAZ-UHFFFAOYSA-N 1 0 376.302 2.919 20 0 GFADRO CO[C@H](c1ccc(Br)cc1)[C@H](C)[NH2+][C@@H]1CCCS(=O)(=O)C1 ZINC000540398768 564246684 /nfs/dbraw/zinc/24/66/84/564246684.db2.gz TYEOKMNVKRFWEO-GLQYFDAESA-N 1 0 376.316 2.692 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)c(C)c1C(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000564728095 564247448 /nfs/dbraw/zinc/24/74/48/564247448.db2.gz BCEFBYSLESZDQQ-ZBEGNZNMSA-N 1 0 391.313 2.979 20 0 GFADRO O=S1(=O)CCC[C@H]([NH2+]Cc2ccc(OC(F)F)c(Br)c2)C1 ZINC000507947673 564249287 /nfs/dbraw/zinc/24/92/87/564249287.db2.gz FDWVKVZWSHELRG-JTQLQIEISA-N 1 0 384.242 2.717 20 0 GFADRO COCC[N@@H+](Cc1sccc1Br)C[C@H]1CCNC(=O)CC1 ZINC000450837170 564250417 /nfs/dbraw/zinc/25/04/17/564250417.db2.gz KZRMYZQCBQWPLJ-GFCCVEGCSA-N 1 0 375.332 2.875 20 0 GFADRO Cn1cc([C@@H]2CN(C(=O)Nc3cccc(Cl)c3Br)C[C@H]2[NH3+])cn1 ZINC000564842317 564251312 /nfs/dbraw/zinc/25/13/12/564251312.db2.gz USTNIXASMCPNRY-CMPLNLGQSA-N 1 0 398.692 2.795 20 0 GFADRO COCC[C@@H](NC(=O)C[NH2+]C[C@H]1CCCO1)c1ccc(Cl)c(Cl)c1 ZINC000564837349 564251437 /nfs/dbraw/zinc/25/14/37/564251437.db2.gz QLBMSDJEIHSOOA-CZUORRHYSA-N 1 0 375.296 2.956 20 0 GFADRO Cc1cn2c(n1)[C@@H](C[NH2+]C[C@@H](O)COc1ccc(Br)cc1)CCC2 ZINC000564852581 564252277 /nfs/dbraw/zinc/25/22/77/564252277.db2.gz NGGSCQDPHNSLFL-GDBMZVCRSA-N 1 0 394.313 2.861 20 0 GFADRO C[NH+](C)CCOCCNC(=O)Nc1cc(Br)ccc1N1CCCC1 ZINC000473695827 564252436 /nfs/dbraw/zinc/25/24/36/564252436.db2.gz JDTZBFKNGPTUQH-UHFFFAOYSA-N 1 0 399.333 2.749 20 0 GFADRO O=C(c1ccc(I)cc1)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000564942159 564257891 /nfs/dbraw/zinc/25/78/91/564257891.db2.gz ITUFJSLIUIYATL-UONOGXRCSA-N 1 0 384.261 2.753 20 0 GFADRO CCN(CCC[NH+]1CCCC1)C(=O)c1ccc(Cl)c(NS(C)(=O)=O)c1 ZINC000508210956 564258120 /nfs/dbraw/zinc/25/81/20/564258120.db2.gz NGWBFMVQLYKAHH-UHFFFAOYSA-N 1 0 387.933 2.660 20 0 GFADRO COC(=O)C[C@@](C)([NH2+]CC1(C(=O)OC)CC1)c1ccc(Br)cc1 ZINC000450981556 564258693 /nfs/dbraw/zinc/25/86/93/564258693.db2.gz ALOWSVLVHVAUIY-MRXNPFEDSA-N 1 0 384.270 2.770 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCN(C(=O)[C@@H](c2ccc(Br)cc2)N2CCCC2)C1 ZINC000564951364 564259123 /nfs/dbraw/zinc/25/91/23/564259123.db2.gz HEEWSWYSVSSVFG-JLJPHGGASA-N 1 0 380.330 2.782 20 0 GFADRO C[N@@H+]1CCN(CCNC(=O)CCOc2ccc(Cl)c(Cl)c2)CC1(C)C ZINC000508318727 564260592 /nfs/dbraw/zinc/26/05/92/564260592.db2.gz UUBGXVWJGCESSP-UHFFFAOYSA-N 1 0 388.339 2.905 20 0 GFADRO FC(F)(F)OCC[NH2+]Cc1ccc(OCCN2CCOCC2)c(Cl)c1 ZINC000474008480 564261406 /nfs/dbraw/zinc/26/14/06/564261406.db2.gz KZXZEZBMGUFPDA-UHFFFAOYSA-N 1 0 382.810 2.677 20 0 GFADRO CCC[C@H]([NH2+]C(C)C)C(=O)N(CCO)Cc1cc(Br)cs1 ZINC000508513392 564264962 /nfs/dbraw/zinc/26/49/62/564264962.db2.gz OWOCCFCBFQWFHS-AWEZNQCLSA-N 1 0 377.348 2.998 20 0 GFADRO CC[NH+](CC)CCO[C@H]1CCN(S(=O)(=O)c2ccc(F)cc2Cl)C1 ZINC000474161994 564267495 /nfs/dbraw/zinc/26/74/95/564267495.db2.gz ZZJKZQFHYSDBOQ-AWEZNQCLSA-N 1 0 378.897 2.601 20 0 GFADRO COc1ccc(-c2nnc(N3CC[NH+](C(C)C)CC3)n2C)cc1Br ZINC000508592366 564267886 /nfs/dbraw/zinc/26/78/86/564267886.db2.gz BZDZJQDKCJTOLH-UHFFFAOYSA-N 1 0 394.317 2.784 20 0 GFADRO CCN1CC[C@H]([NH2+][C@@H](C)CS(=O)(=O)CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000541175200 564268989 /nfs/dbraw/zinc/26/89/89/564268989.db2.gz ARAIQQCKRRPFJZ-XNJJOIOASA-N 1 0 378.460 2.652 20 0 GFADRO COC(=O)[C@H](c1ccccc1C(F)(F)F)N1C[C@@H](SC)[C@@H]([NH+](C)C)C1 ZINC000541203124 564269016 /nfs/dbraw/zinc/26/90/16/564269016.db2.gz RCOWHJFFHKTYGQ-ZNMIVQPWSA-N 1 0 376.444 2.897 20 0 GFADRO CC[N@H+](C)C[C@H]1CCN(S(=O)(=O)c2cccc(Br)c2F)C1 ZINC000541212696 564269786 /nfs/dbraw/zinc/26/97/86/564269786.db2.gz VQBGXGGGAZIYEJ-LLVKDONJSA-N 1 0 379.295 2.551 20 0 GFADRO C[C@@H]1CN(C[C@@H](O)COc2ccc(Br)cc2)CC[N@@H+](C2CC2)C1 ZINC000451079587 564271180 /nfs/dbraw/zinc/27/11/80/564271180.db2.gz IFPYMJPUEKADJU-RHSMWYFYSA-N 1 0 383.330 2.605 20 0 GFADRO Cn1c(-c2cccc(Br)c2)nnc1N1CC[NH+](C2CCC2)CC1 ZINC000508755284 564272412 /nfs/dbraw/zinc/27/24/12/564272412.db2.gz PVRMDKUAZAMVEB-UHFFFAOYSA-N 1 0 376.302 2.919 20 0 GFADRO C[NH+](C)C[C@@H](Cc1ccccc1)NS(=O)(=O)CCc1cccc(Cl)c1 ZINC000508804961 564273050 /nfs/dbraw/zinc/27/30/50/564273050.db2.gz DSTGQJGARWAFPM-LJQANCHMSA-N 1 0 380.941 2.975 20 0 GFADRO CC[NH+](CC)[C@H](C)CNS(=O)(=O)c1c(Cl)cc(Cl)cc1C(=O)OC ZINC000508876716 564274681 /nfs/dbraw/zinc/27/46/81/564274681.db2.gz YRBBTAUZQDMVBW-SNVBAGLBSA-N 1 0 397.324 2.789 20 0 GFADRO COc1ccc2nc(C[NH2+]C[C@]3(N4CCOCC4)CCSC3)sc2c1 ZINC000474357452 564276371 /nfs/dbraw/zinc/27/63/71/564276371.db2.gz SUMDRKNBZGVNGH-GOSISDBHSA-N 1 0 379.551 2.602 20 0 GFADRO COC(=O)c1ccc(S(=O)(=O)NCC[C@H](C)[NH+]2CCCCC2)c(Cl)c1 ZINC000541386711 564277209 /nfs/dbraw/zinc/27/72/09/564277209.db2.gz GMTHGWQHBVVWNN-ZDUSSCGKSA-N 1 0 388.917 2.669 20 0 GFADRO CC[NH+]1CCC(NC(=O)CN2CCc3c(F)ccc(Br)c3C2)CC1 ZINC000451118088 564277682 /nfs/dbraw/zinc/27/76/82/564277682.db2.gz WWDDAKKXJRZWLS-UHFFFAOYSA-N 1 0 398.320 2.547 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C(=O)N[C@@](C)(C[NH3+])C1CC1 ZINC000565364453 564277804 /nfs/dbraw/zinc/27/78/04/564277804.db2.gz BQGBAPIATUSGOE-KRWDZBQOSA-N 1 0 377.286 2.800 20 0 GFADRO CN(CCC[N@H+](C)Cc1ccncc1)C(=O)c1ncccc1Br ZINC000565369110 564278225 /nfs/dbraw/zinc/27/82/25/564278225.db2.gz WDYKYDRLRKKAKA-UHFFFAOYSA-N 1 0 377.286 2.833 20 0 GFADRO COCCC[N@H+](C)CCNC(=O)N[C@@H]1C[C@H]1c1ccc(Br)s1 ZINC000474448126 564278506 /nfs/dbraw/zinc/27/85/06/564278506.db2.gz CYFCYMPAVJSSEY-VXGBXAGGSA-N 1 0 390.347 2.634 20 0 GFADRO Cc1cc(Br)cc(C)c1N1CCC[C@H]([N@H+]2C[C@H](O)[C@@H](C)C2)C1=O ZINC000509022092 564278488 /nfs/dbraw/zinc/27/84/88/564278488.db2.gz JYXSDZGBPSKRAA-BPUTZDHNSA-N 1 0 381.314 2.874 20 0 GFADRO Cc1ccc(Cl)c(OC[C@H](O)C[NH2+]Cc2cnn(CC(F)(F)F)c2)c1 ZINC000565417322 564279431 /nfs/dbraw/zinc/27/94/31/564279431.db2.gz QXGIRJNHQNNDBB-CYBMUJFWSA-N 1 0 377.794 2.937 20 0 GFADRO C[C@@H]1[C@@H](CC(F)(F)F)C[C@H](C)[N@H+]1CCC(=O)NC(=O)NCC(F)(F)F ZINC000451148365 564280087 /nfs/dbraw/zinc/28/00/87/564280087.db2.gz PYFCCUYHTPAIGU-IVZWLZJFSA-N 1 0 377.329 2.816 20 0 GFADRO C[C@@H](C(=O)NCCCC[NH+]1CCN(C)CC1)c1cccc(Br)c1 ZINC000565454617 564281411 /nfs/dbraw/zinc/28/14/11/564281411.db2.gz LNOYAHHXOJTTCL-OAHLLOKOSA-N 1 0 382.346 2.696 20 0 GFADRO CC[C@H](Cc1ccccc1Br)[N@H+](C)CCS(=O)(=O)N(C)C ZINC000509118909 564282612 /nfs/dbraw/zinc/28/26/12/564282612.db2.gz AGEHEWMJTPSEOE-CQSZACIVSA-N 1 0 377.348 2.593 20 0 GFADRO CN(C(=O)Nc1ccc(Cl)cc1I)[C@H]1CC[NH2+]C1 ZINC000565468235 564282894 /nfs/dbraw/zinc/28/28/94/564282894.db2.gz GDIYUGYDUOTHMQ-VIFPVBQESA-N 1 0 379.629 2.770 20 0 GFADRO C[C@@H](NC(=O)c1ccc(Br)cc1)C(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000474642682 564284266 /nfs/dbraw/zinc/28/42/66/564284266.db2.gz YRQQZUBQHQOUEA-CYBMUJFWSA-N 1 0 396.329 2.510 20 0 GFADRO C[C@H]1CC[NH2+][C@@H](C(=O)NC2CCN(Cc3ccc(Br)cc3)CC2)C1 ZINC000565545675 564285506 /nfs/dbraw/zinc/28/55/06/564285506.db2.gz WXBYMFPCOUPDRC-KBXCAEBGSA-N 1 0 394.357 2.918 20 0 GFADRO C[C@H]1CC[NH2+][C@H](C(=O)NC2CCN(Cc3ccc(Br)cc3)CC2)C1 ZINC000565545682 564285585 /nfs/dbraw/zinc/28/55/85/564285585.db2.gz WXBYMFPCOUPDRC-KSSFIOAISA-N 1 0 394.357 2.918 20 0 GFADRO CN(C[C@H]1CCC[N@H+](C)C1)S(=O)(=O)Cc1ccc(Br)c(F)c1 ZINC000451205950 564286554 /nfs/dbraw/zinc/28/65/54/564286554.db2.gz ZJWNVJMDYQJEKL-ZDUSSCGKSA-N 1 0 393.322 2.692 20 0 GFADRO C[C@@H]1CC[N@H+](CC(=O)NCc2c(Br)cncc2Br)C1 ZINC000565609083 564288016 /nfs/dbraw/zinc/28/80/16/564288016.db2.gz TZMZMNIYAYTVLU-SECBINFHSA-N 1 0 391.107 2.565 20 0 GFADRO C[C@@H](C[NH2+][C@@H](Cc1ccccc1)C(N)=O)Oc1cccc(Br)c1 ZINC000541800566 564289619 /nfs/dbraw/zinc/28/96/19/564289619.db2.gz FFFNWTCERSRLSQ-GUYCJALGSA-N 1 0 377.282 2.903 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCC1(C)C)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000565664167 564290175 /nfs/dbraw/zinc/29/01/75/564290175.db2.gz FUENZRLQGSXLFN-XHDPSFHLSA-N 1 0 387.933 2.696 20 0 GFADRO CC[N@H+](CCNC(=O)NCc1cn2cc(Br)cc(C)c2n1)C1CC1 ZINC000541837324 564291561 /nfs/dbraw/zinc/29/15/61/564291561.db2.gz HOTFBRIXDQMZIC-UHFFFAOYSA-N 1 0 394.317 2.689 20 0 GFADRO C[NH+](C)C[C@H]1CCCN1C(=O)c1cc(I)ccc1F ZINC000474867088 564292355 /nfs/dbraw/zinc/29/23/55/564292355.db2.gz GDTJZPMMAVENAA-LLVKDONJSA-N 1 0 376.213 2.597 20 0 GFADRO C[NH+](C)CC(C)(C)CNC(=O)c1cc(I)ccc1F ZINC000474910764 564292704 /nfs/dbraw/zinc/29/27/04/564292704.db2.gz WINSOKGMEUVKHX-UHFFFAOYSA-N 1 0 378.229 2.748 20 0 GFADRO CC(C)[N@H+]1C[C@H](NS(=O)(=O)Cc2ccc(Br)c(F)c2)[C@@H](C)C1 ZINC000451275920 564294070 /nfs/dbraw/zinc/29/40/70/564294070.db2.gz YSXQTXMJZCMFDL-NHYWBVRUSA-N 1 0 393.322 2.736 20 0 GFADRO Cc1c(C[N@@H+]2CCC[C@H](C(=O)Nc3ccc(Br)cn3)C2)cnn1C ZINC000509365632 564294462 /nfs/dbraw/zinc/29/44/62/564294462.db2.gz KVUWGRNTNAYEJM-ZDUSSCGKSA-N 1 0 392.301 2.737 20 0 GFADRO COCC[NH2+]C1CCN(S(=O)(=O)c2c(Cl)cc(F)cc2Cl)CC1 ZINC000565778850 564296164 /nfs/dbraw/zinc/29/61/64/564296164.db2.gz GDSXOENPLIRWIR-UHFFFAOYSA-N 1 0 385.288 2.522 20 0 GFADRO COC1(C[NH2+]CCNS(=O)(=O)c2ccc(F)cc2Cl)CCCCC1 ZINC000509404431 564296763 /nfs/dbraw/zinc/29/67/63/564296763.db2.gz WVZQVBZRIWTBPE-UHFFFAOYSA-N 1 0 378.897 2.696 20 0 GFADRO COC(=O)c1cc(Br)cc(C(=O)N2CC[C@H]([NH+]3CCCC3)C2)c1 ZINC000565808247 564296819 /nfs/dbraw/zinc/29/68/19/564296819.db2.gz BAWDJSLQZNFQIK-HNNXBMFYSA-N 1 0 381.270 2.546 20 0 GFADRO C[NH+](C)CCOCCNC(=O)Nc1cnn(-c2ccc(Cl)cc2Cl)c1 ZINC000474997635 564297513 /nfs/dbraw/zinc/29/75/13/564297513.db2.gz QVGFMDCVRXLYLW-UHFFFAOYSA-N 1 0 386.283 2.879 20 0 GFADRO C[C@@H](Sc1nncn1C)C(=O)Nc1nc2c(s1)C[N@@H+](C(C)(C)C)CC2 ZINC000565829298 564297876 /nfs/dbraw/zinc/29/78/76/564297876.db2.gz GXKLWAFCBAVAKV-SNVBAGLBSA-N 1 0 380.543 2.548 20 0 GFADRO C[C@@H]1C[C@H](C)C[N@@H+](CCSc2ccc(S(=O)(=O)N3CCCC3)cn2)C1 ZINC000565842446 564298694 /nfs/dbraw/zinc/29/86/94/564298694.db2.gz DPBMFTHYPIJTEA-IYBDPMFKSA-N 1 0 383.583 2.936 20 0 GFADRO Fc1ccc(Br)cc1C[NH2+]CCc1nnnn1-c1ccccc1 ZINC000509439015 564299348 /nfs/dbraw/zinc/29/93/48/564299348.db2.gz NKDBMLRBANSYBC-UHFFFAOYSA-N 1 0 376.233 2.896 20 0 GFADRO C[N@@H+]1CC[C@H]2CCN(Cc3ccc(Br)cc3N3CCOCC3)[C@@H]2C1 ZINC000475103806 564300206 /nfs/dbraw/zinc/30/02/06/564300206.db2.gz NKLSKJHYLRRKOE-HNAYVOBHSA-N 1 0 394.357 2.812 20 0 GFADRO CCN(CCC[NH2+][C@H](C)c1cccc(S(=O)(=O)NC)c1)CC(F)(F)F ZINC000475134288 564300318 /nfs/dbraw/zinc/30/03/18/564300318.db2.gz DFCCVMJVPNBVHN-CYBMUJFWSA-N 1 0 381.464 2.520 20 0 GFADRO O=C(NCC1([NH+]2CCSCC2)CCCC1)[C@@H](O)Cc1ccccc1Cl ZINC000542102712 564301396 /nfs/dbraw/zinc/30/13/96/564301396.db2.gz BBZCZPJQRQFIHX-KRWDZBQOSA-N 1 0 382.957 2.721 20 0 GFADRO Cc1cc(F)c(Br)cc1NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000475180511 564302181 /nfs/dbraw/zinc/30/21/81/564302181.db2.gz FRAISAQMTMNNNN-LBPRGKRZSA-N 1 0 398.276 2.530 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1cccc(Br)c1F ZINC000542175335 564303486 /nfs/dbraw/zinc/30/34/86/564303486.db2.gz PRLBTXIWRWMZCG-LLVKDONJSA-N 1 0 379.295 2.741 20 0 GFADRO O=C(NCCc1nc(C(F)(F)F)cs1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000565940848 564303555 /nfs/dbraw/zinc/30/35/55/564303555.db2.gz AKNVQFKEFLZOTN-LBPRGKRZSA-N 1 0 376.448 2.736 20 0 GFADRO C[C@H](CCc1ccc(I)cc1)[NH2+][C@@H](CO)[C@@H]1CCCO1 ZINC000475225155 564303982 /nfs/dbraw/zinc/30/39/82/564303982.db2.gz TUQZSBZORGWXNA-KCXAZCMYSA-N 1 0 389.277 2.742 20 0 GFADRO CCC[N@H+](C)[C@H](CNS(=O)(=O)c1cncn1CC)c1ccc(Cl)cc1 ZINC000509635690 564307004 /nfs/dbraw/zinc/30/70/04/564307004.db2.gz RUVOGFNMLVVQJG-MRXNPFEDSA-N 1 0 384.933 2.918 20 0 GFADRO CCCOc1ccc(Br)cc1C[NH2+][C@H]1CCc2nnnn2CC1 ZINC000566077610 564308345 /nfs/dbraw/zinc/30/83/45/564308345.db2.gz FAFIEBFHCAGQKZ-AWEZNQCLSA-N 1 0 380.290 2.719 20 0 GFADRO CC(C)[N@@H+]1CCC[C@H](NS(=O)(=O)Cc2ccc(Br)c(F)c2)C1 ZINC000451408111 564310413 /nfs/dbraw/zinc/31/04/13/564310413.db2.gz YJYJTULIADJFHI-ZDUSSCGKSA-N 1 0 393.322 2.880 20 0 GFADRO O[C@@H](C[NH2+]Cc1nc2c(cccc2Br)[nH]1)COCc1ccccc1 ZINC000566121300 564310760 /nfs/dbraw/zinc/31/07/60/564310760.db2.gz CVQYYDLDUUJCGG-AWEZNQCLSA-N 1 0 390.281 2.993 20 0 GFADRO Cc1ccc(NC(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)cc1Br ZINC000509738292 564310832 /nfs/dbraw/zinc/31/08/32/564310832.db2.gz AEQVWFZINWOROM-XJKSGUPXSA-N 1 0 394.313 2.781 20 0 GFADRO CS(=O)(=O)[C@@H]1CCC[C@@H]([NH2+]C[C@H](O)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000566117815 564310880 /nfs/dbraw/zinc/31/08/80/564310880.db2.gz QFODABWPYKOBCB-BZUAXINKSA-N 1 0 379.444 2.554 20 0 GFADRO Cc1c(Br)cccc1NC(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)[C@H]1C ZINC000509739597 564311987 /nfs/dbraw/zinc/31/19/87/564311987.db2.gz JANKKMKAXCMGJE-CJNGLKHVSA-N 1 0 394.313 2.781 20 0 GFADRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)C(=O)Nc1ccc(F)cc1Br ZINC000509770491 564312995 /nfs/dbraw/zinc/31/29/95/564312995.db2.gz KINPDNZYQWJSPO-IAQYHMDHSA-N 1 0 398.276 2.612 20 0 GFADRO COC(=O)c1cc(Cl)c(C)c(S(=O)(=O)N(C)CC2([NH+](C)C)CCC2)c1 ZINC000451441196 564313097 /nfs/dbraw/zinc/31/30/97/564313097.db2.gz ZRDGIDRBNDERSY-UHFFFAOYSA-N 1 0 388.917 2.540 20 0 GFADRO CC[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000566179204 564314262 /nfs/dbraw/zinc/31/42/62/564314262.db2.gz AGMSKFAPSWFTCZ-GOEBONIOSA-N 1 0 386.323 2.689 20 0 GFADRO CC[C@H]1[NH2+]CC[C@H]1C(=O)NCc1nc(-c2cccc(Br)c2)no1 ZINC000566194639 564316537 /nfs/dbraw/zinc/31/65/37/564316537.db2.gz DLHUKHWMZGGMDD-CHWSQXEVSA-N 1 0 379.258 2.503 20 0 GFADRO COCCCS(=O)(=O)NCC[N@H+](C)[C@H](C)[C@H](C)c1ccc(Cl)cc1 ZINC000475733695 564317310 /nfs/dbraw/zinc/31/73/10/564317310.db2.gz LINMYINLSROUHB-LSDHHAIUSA-N 1 0 376.950 2.720 20 0 GFADRO Cc1ccc(C[C@H](CO)C[NH2+]C[C@@H](O)CC(F)(F)F)cc1Br ZINC000566232234 564318194 /nfs/dbraw/zinc/31/81/94/564318194.db2.gz ZTSYTVDCLWQFEK-STQMWFEESA-N 1 0 384.236 2.811 20 0 GFADRO COC(=O)C[C@H]1CSCC[N@@H+]1C[C@H](O)COc1cc(Cl)ccc1Cl ZINC000475883144 564323447 /nfs/dbraw/zinc/32/34/47/564323447.db2.gz QKQGDOHUYHLGFY-STQMWFEESA-N 1 0 394.320 2.714 20 0 GFADRO C[C@@H](C[NH+]1CCOCC1)C(=O)N(CCCO)Cc1ccc(Cl)c(Cl)c1 ZINC000542760357 564324948 /nfs/dbraw/zinc/32/49/48/564324948.db2.gz KLNYLXOGWKDXNA-AWEZNQCLSA-N 1 0 389.323 2.673 20 0 GFADRO CCC(C)(C)[NH2+][C@H](C)C(=O)NCCCNC(=O)c1ccc(Br)cc1 ZINC000476101240 564328174 /nfs/dbraw/zinc/32/81/74/564328174.db2.gz VXYRGKGSINEWDA-CYBMUJFWSA-N 1 0 398.345 2.852 20 0 GFADRO CSC[C@@H]([NH2+]CC1(C(N)=O)CCOCC1)c1ccc(C(F)(F)F)cc1 ZINC000542844628 564328365 /nfs/dbraw/zinc/32/83/65/564328365.db2.gz VNANPPWMKWKOGD-CQSZACIVSA-N 1 0 376.444 2.981 20 0 GFADRO CC(=O)N1CC([NH2+][C@H](C)CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)C1 ZINC000566476260 564328327 /nfs/dbraw/zinc/32/83/27/564328327.db2.gz WLOVGVODKUNZOP-SECBINFHSA-N 1 0 377.794 2.896 20 0 GFADRO C[N@@H+]1CC[C@H]2OCCN(C(=O)c3cc4c(Br)cccc4cn3)[C@@H]2C1 ZINC000451591190 564329098 /nfs/dbraw/zinc/32/90/98/564329098.db2.gz AETLOGRFCNDLAW-IAGOWNOFSA-N 1 0 390.281 2.542 20 0 GFADRO C[C@H]1CCN(C(=O)Nc2ccc(I)cc2F)C[C@H]1C[NH3+] ZINC000566504769 564330462 /nfs/dbraw/zinc/33/04/62/564330462.db2.gz ONUSQQVOLRHJMB-VHSXEESVSA-N 1 0 391.228 2.879 20 0 GFADRO COc1cc(Br)ccc1CCC(=O)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000542953412 564333452 /nfs/dbraw/zinc/33/34/52/564333452.db2.gz RCWHTTFFUARWPN-LRDDRELGSA-N 1 0 381.314 2.989 20 0 GFADRO COc1ccc(CN2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)c(Br)c1O ZINC000566592674 564333469 /nfs/dbraw/zinc/33/34/69/564333469.db2.gz UYQMSNFZRSACTK-SQWLQELKSA-N 1 0 399.329 2.847 20 0 GFADRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1S(=O)(=O)N(C)Cc1c(F)cccc1Cl ZINC000510518827 564336731 /nfs/dbraw/zinc/33/67/31/564336731.db2.gz QTWPRTNJVBQUOG-KBPBESRZSA-N 1 0 389.924 2.714 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)N[C@@H](Cc2cccc(Br)c2)CC2CC2)CCO1 ZINC000566727835 564339846 /nfs/dbraw/zinc/33/98/46/564339846.db2.gz KTSMTCFALTXZFG-IAGOWNOFSA-N 1 0 396.329 2.529 20 0 GFADRO NC(=O)[C@H](Cc1ccc(F)cc1)[NH2+]CCc1cc(Br)ccc1F ZINC000543164226 564340814 /nfs/dbraw/zinc/34/08/14/564340814.db2.gz WTYYLLRAQCNFNJ-INIZCTEOSA-N 1 0 383.236 2.956 20 0 GFADRO O=C1CNC(=O)N1CC[NH2+]C1(c2ccccc2Br)CCCCC1 ZINC000451693334 564341351 /nfs/dbraw/zinc/34/13/51/564341351.db2.gz XNUDNBOTSSQKPG-UHFFFAOYSA-N 1 0 380.286 2.750 20 0 GFADRO CN(C)C(=O)CCN1CCC([NH2+][C@@H]2CCc3ccc(Br)cc32)CC1 ZINC000510693740 564344299 /nfs/dbraw/zinc/34/42/99/564344299.db2.gz CPCXMIPICRUAQK-GOSISDBHSA-N 1 0 394.357 2.969 20 0 GFADRO CN(CCC[N@H+](C)Cc1ccco1)S(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000510721292 564344656 /nfs/dbraw/zinc/34/46/56/564344656.db2.gz UGPYEQGNTDBGAW-UHFFFAOYSA-N 1 0 376.400 2.840 20 0 GFADRO CCN(CC)S(=O)(=O)CC[NH2+][C@@H]1CCc2ccc(Br)cc21 ZINC000510756067 564345439 /nfs/dbraw/zinc/34/54/39/564345439.db2.gz YOBJQWHOTCTZOE-OAHLLOKOSA-N 1 0 375.332 2.698 20 0 GFADRO C[NH+](C)CCN(Cc1cccs1)C(=O)C(=O)Nc1scnc1C1CC1 ZINC000476607196 564347764 /nfs/dbraw/zinc/34/77/64/564347764.db2.gz GBQNNFILANCORW-UHFFFAOYSA-N 1 0 378.523 2.611 20 0 GFADRO O=C(CC[NH2+][C@@H]1CCN(CC(F)F)C1)Nc1ccc(Br)cc1 ZINC000566968674 564351672 /nfs/dbraw/zinc/35/16/72/564351672.db2.gz DCIXRQNVWSVDQQ-CYBMUJFWSA-N 1 0 376.245 2.707 20 0 GFADRO C[C@@H]([NH2+][C@H]1COCC1(C)C)C(=O)Nc1ccc(I)cc1 ZINC000451808584 564354025 /nfs/dbraw/zinc/35/40/25/564354025.db2.gz KHCYWPQODLLQFI-MFKMUULPSA-N 1 0 388.249 2.633 20 0 GFADRO C[C@@H](CCC[NH3+])NC(=O)c1cccn1-c1cccc(I)c1 ZINC000567109993 564358387 /nfs/dbraw/zinc/35/83/87/564358387.db2.gz LDLXDUGYZXCITE-LBPRGKRZSA-N 1 0 397.260 2.939 20 0 GFADRO O=S(=O)(NCCC[NH2+][C@@H]1COc2ccccc2C1)c1ccccc1Cl ZINC000567129211 564358468 /nfs/dbraw/zinc/35/84/68/564358468.db2.gz ZLROGMQCALQTGW-HNNXBMFYSA-N 1 0 380.897 2.602 20 0 GFADRO OC[C@H](C[NH2+]Cc1ccc(F)cc1I)Cc1ccco1 ZINC000567247096 564363023 /nfs/dbraw/zinc/36/30/23/564363023.db2.gz QQBBTDZHEZFOSV-NSHDSACASA-N 1 0 389.208 2.964 20 0 GFADRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N[C@H]1CCSc2ccc(Cl)cc21 ZINC000477060198 564363761 /nfs/dbraw/zinc/36/37/61/564363761.db2.gz CREZGFKQEUDKNS-DOMZBBRYSA-N 1 0 383.945 2.840 20 0 GFADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NCc1c(C)cc(Br)cc1C ZINC000477090927 564364252 /nfs/dbraw/zinc/36/42/52/564364252.db2.gz ADHJPZWPRDSDCF-AWEZNQCLSA-N 1 0 398.345 2.529 20 0 GFADRO COc1ccc(Cl)cc1NC(=O)CC[N@@H+]1CC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000451902532 564364732 /nfs/dbraw/zinc/36/47/32/564364732.db2.gz HZVBVDSARQXLGK-MEBBXXQBSA-N 1 0 380.794 2.922 20 0 GFADRO OCC[C@@H]([NH2+]C[C@H](O)COc1ccccc1)c1ccccc1Br ZINC000543810898 564365120 /nfs/dbraw/zinc/36/51/20/564365120.db2.gz MCLLISQQVMUFLO-KBXCAEBGSA-N 1 0 380.282 2.902 20 0 GFADRO C[NH+](C)C[C@@H]1CCCN1c1ncnc2ccc(I)cc21 ZINC000477123481 564365254 /nfs/dbraw/zinc/36/52/54/564365254.db2.gz RNKSFYCMFFOUCC-LBPRGKRZSA-N 1 0 382.249 2.765 20 0 GFADRO Cc1c(Br)cccc1CN1CC[NH+]([C@@H]2CCNC(=O)CC2)CC1 ZINC000451919334 564367731 /nfs/dbraw/zinc/36/77/31/564367731.db2.gz RQQOEXHKCYDMID-INIZCTEOSA-N 1 0 380.330 2.544 20 0 GFADRO Cc1cc(Br)cc(C)c1S(=O)(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000451928148 564368469 /nfs/dbraw/zinc/36/84/69/564368469.db2.gz LGCDULKSQXPLCN-GOOCMWNKSA-N 1 0 387.343 2.969 20 0 GFADRO CN(CC[NH2+][C@H](c1ccc(Cl)cc1)[C@H]1CN(C)CCO1)CC(F)(F)F ZINC000511383573 564370646 /nfs/dbraw/zinc/37/06/46/564370646.db2.gz YHFHPLJVWAVAKE-HZPDHXFCSA-N 1 0 379.854 2.795 20 0 GFADRO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)c1ccc(F)c(I)c1 ZINC000477258571 564370921 /nfs/dbraw/zinc/37/09/21/564370921.db2.gz XAQTWXBONMBJDJ-CQSZACIVSA-N 1 0 390.240 2.843 20 0 GFADRO CCO[C@@H]1COC[C@H]1[NH2+][C@H](C)C(=O)N[C@H](C)c1ccc(Cl)cc1Cl ZINC000451945178 564371320 /nfs/dbraw/zinc/37/13/20/564371320.db2.gz SRIJKPBVXUSABP-HOJOPBEUSA-N 1 0 375.296 2.953 20 0 GFADRO CC1CC[NH+](CCNS(=O)(=O)c2cccc(Br)c2F)CC1 ZINC000544031285 564371459 /nfs/dbraw/zinc/37/14/59/564371459.db2.gz XJHPKACQINFQTL-UHFFFAOYSA-N 1 0 379.295 2.598 20 0 GFADRO C[C@@H](CC[NH3+])NC(=O)c1cccn1-c1ccc(I)cc1 ZINC000477337543 564374349 /nfs/dbraw/zinc/37/43/49/564374349.db2.gz HGVDHMIMMHIGSY-NSHDSACASA-N 1 0 383.233 2.549 20 0 GFADRO C[C@@H]1CC[NH2+][C@H](C(=O)NC[C@H]2CCN(c3cccc(Br)c3)C2)C1 ZINC000567504093 564374540 /nfs/dbraw/zinc/37/45/40/564374540.db2.gz AOCUNHYROGZULG-CPUCHLNUSA-N 1 0 380.330 2.780 20 0 GFADRO CC(C)CN(C(=O)C[NH2+][C@@](C)(CO)c1ccc(Br)cc1)C1CC1 ZINC000511611749 564377307 /nfs/dbraw/zinc/37/73/07/564377307.db2.gz SPEWWRZSDRZBDB-SFHVURJKSA-N 1 0 383.330 2.893 20 0 GFADRO Cc1ccccc1OC[C@H](O)C[NH2+][C@@](C)(CO)c1ccc(Br)cc1 ZINC000511607221 564377896 /nfs/dbraw/zinc/37/78/96/564377896.db2.gz TYVHRDXRXRABTP-MJGOQNOKSA-N 1 0 394.309 2.995 20 0 GFADRO C[N@H+](CCOc1ccc(S(N)(=O)=O)cc1F)C[C@@H]1CCCC(F)(F)C1 ZINC000451995028 564378359 /nfs/dbraw/zinc/37/83/59/564378359.db2.gz XJYQBLXANXMFAZ-GFCCVEGCSA-N 1 0 380.432 2.609 20 0 GFADRO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@@H+]2C[C@@H](O)COc1ccc(Br)cc1 ZINC000511666621 564379727 /nfs/dbraw/zinc/37/97/27/564379727.db2.gz WGJAKTKKDPEUHR-JUYLPIKQSA-N 1 0 382.298 2.544 20 0 GFADRO CCc1ccc([C@@H](CNC(=O)Cn2cc(Br)cn2)[NH+](C)C)cc1 ZINC000511816821 564382892 /nfs/dbraw/zinc/38/28/92/564382892.db2.gz HHTRIYVUIFQVGC-MRXNPFEDSA-N 1 0 379.302 2.627 20 0 GFADRO O[C@H](C[NH2+]CCOc1ncc(Cl)cc1Cl)COCc1cccs1 ZINC000567688322 564383088 /nfs/dbraw/zinc/38/30/88/564383088.db2.gz NPQHULVUZKYMKM-GFCCVEGCSA-N 1 0 377.293 2.996 20 0 GFADRO O[C@@H](C[NH2+]CC1(c2ccccc2Br)CC1)COC1CCOCC1 ZINC000567725977 564385130 /nfs/dbraw/zinc/38/51/30/564385130.db2.gz SQTWFKGOHDVHAD-AWEZNQCLSA-N 1 0 384.314 2.627 20 0 GFADRO Cc1ccccc1C[C@H](CO)[NH2+]Cc1ncc(I)s1 ZINC000511985560 564388156 /nfs/dbraw/zinc/38/81/56/564388156.db2.gz AFEOTYOAUUMLNJ-GFCCVEGCSA-N 1 0 388.274 2.749 20 0 GFADRO CN(CCC[NH+]1CCCC1)S(=O)(=O)c1ccc(OCC(F)(F)F)cc1 ZINC000544599586 564389476 /nfs/dbraw/zinc/38/94/76/564389476.db2.gz VQOBHOIRFUUBOI-UHFFFAOYSA-N 1 0 380.432 2.734 20 0 GFADRO CCCc1c(C(=O)N[C@@H](C)[C@@H](C)[NH3+])nnn1Cc1cccc(Br)c1 ZINC000567848439 564391471 /nfs/dbraw/zinc/39/14/71/564391471.db2.gz DACGWJCNDHMQOJ-NEPJUHHUSA-N 1 0 394.317 2.507 20 0 GFADRO Cc1cc(Br)ccc1S(=O)(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000567853133 564392842 /nfs/dbraw/zinc/39/28/42/564392842.db2.gz UKGDLMXBYOJCEN-UHFFFAOYSA-N 1 0 387.343 2.912 20 0 GFADRO [NH3+]CC[C@@H]1CCCCN1S(=O)(=O)c1ccc(Br)c(Cl)c1 ZINC000567861726 564392952 /nfs/dbraw/zinc/39/29/52/564392952.db2.gz SGAJQWFJLYTILV-JTQLQIEISA-N 1 0 381.723 2.995 20 0 GFADRO COC(=O)c1cc(NC(=O)[C@@]23CCC[C@@H]2C[NH2+]C3)cc(Br)c1F ZINC000567908937 564396143 /nfs/dbraw/zinc/39/61/43/564396143.db2.gz SQFNMAPCHUEZFF-JDNHERCYSA-N 1 0 385.233 2.703 20 0 GFADRO C[NH+](C)CCOc1cnccc1CNC(=O)Cc1sccc1Br ZINC000452156484 564396793 /nfs/dbraw/zinc/39/67/93/564396793.db2.gz DCYSIFWOGIAVKT-UHFFFAOYSA-N 1 0 398.326 2.705 20 0 GFADRO CCC[N@H+](CC)C[C@@H](C)NC(=O)c1cccnc1-n1cc(Br)cn1 ZINC000452173595 564397882 /nfs/dbraw/zinc/39/78/82/564397882.db2.gz CRTPNQSJIBKKHP-CYBMUJFWSA-N 1 0 394.317 2.880 20 0 GFADRO C[C@@H]1CN(C(=O)COc2ccc(F)cc2Br)CC[N@@H+](C2CC2)C1 ZINC000452172577 564398097 /nfs/dbraw/zinc/39/80/97/564398097.db2.gz XSZWUCKLXOKTMZ-LBPRGKRZSA-N 1 0 385.277 2.910 20 0 GFADRO COCCN(Cc1ccc(Br)s1)C(=O)N[C@@H](C)C[NH+](C)C ZINC000512422301 564401248 /nfs/dbraw/zinc/40/12/48/564401248.db2.gz QKZZRRARLZFYRR-NSHDSACASA-N 1 0 378.336 2.619 20 0 GFADRO O=C(NC[C@@H]1CCC[N@H+]1CCCO)c1cc(Br)ccc1Cl ZINC000452344625 564406803 /nfs/dbraw/zinc/40/68/03/564406803.db2.gz CYIBRMWLUHYFJJ-LBPRGKRZSA-N 1 0 375.694 2.679 20 0 GFADRO O=C(NC[C@@H]1CCC[N@H+]1CCCO)c1cc(Cl)c(Br)cc1F ZINC000452345398 564407031 /nfs/dbraw/zinc/40/70/31/564407031.db2.gz RAQZKZJMLDQUSJ-JTQLQIEISA-N 1 0 393.684 2.818 20 0 GFADRO CC1(C)CC[N@H+](CC(=O)NCCc2ccc(I)s2)C1 ZINC000568192472 564407940 /nfs/dbraw/zinc/40/79/40/564407940.db2.gz LLRUWCCQKYIXPQ-UHFFFAOYSA-N 1 0 392.306 2.743 20 0 GFADRO Cc1cccc(I)c1C(=O)N1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000568209639 564408961 /nfs/dbraw/zinc/40/89/61/564408961.db2.gz AANWSARSSHAZEU-QWHCGFSZSA-N 1 0 384.261 2.908 20 0 GFADRO COC(=O)C[C@@](C)(NC(=O)C[N@@H+]1CC[C@H](C)C1)c1ccc(Br)cc1 ZINC000568205485 564409277 /nfs/dbraw/zinc/40/92/77/564409277.db2.gz PEDLSFQGNSVWFD-SCLBCKFNSA-N 1 0 397.313 2.685 20 0 GFADRO Cc1cc(Br)c(C(=O)NC[C@H]2CCCC[N@@H+]2CCO)cc1Cl ZINC000452368885 564409349 /nfs/dbraw/zinc/40/93/49/564409349.db2.gz DNZYOVKKTQAPBR-GFCCVEGCSA-N 1 0 389.721 2.988 20 0 GFADRO CN(Cc1ccc([S@](C)=O)cc1)C(=O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000568197516 564409419 /nfs/dbraw/zinc/40/94/19/564409419.db2.gz ALAWFKRZJFUJEU-GKVSMKOHSA-N 1 0 380.579 2.600 20 0 GFADRO O=C(N[C@@H]1CCC[N@@H+](CCCO)C1)c1cc2c(cc(Br)cc2F)[nH]1 ZINC000452374916 564410033 /nfs/dbraw/zinc/41/00/33/564410033.db2.gz LMUFANVNQMPIAF-GFCCVEGCSA-N 1 0 398.276 2.646 20 0 GFADRO CN(CCC[NH+]1CCN(C)CC1)c1ncnc2cc(F)c(Br)cc21 ZINC000545159864 564410336 /nfs/dbraw/zinc/41/03/36/564410336.db2.gz FDSWPOKKPCZIKM-UHFFFAOYSA-N 1 0 396.308 2.605 20 0 GFADRO C[C@H](Oc1cc(Cl)cc(Cl)c1)C(=O)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000452374914 564410303 /nfs/dbraw/zinc/41/03/03/564410303.db2.gz LMOPEEHBBCHUCD-WFASDCNBSA-N 1 0 375.296 2.724 20 0 GFADRO O=C(CCCOc1cccc(Br)c1)NC[C@@H]1CCCC[N@H+]1CCO ZINC000452385485 564411422 /nfs/dbraw/zinc/41/14/22/564411422.db2.gz DJBOPGQKPAOTLH-INIZCTEOSA-N 1 0 399.329 2.571 20 0 GFADRO C[N@H+](CCc1ccccc1)[C@H]1CCN(S(=O)(=O)CCCC(F)(F)F)C1 ZINC000568264969 564412089 /nfs/dbraw/zinc/41/20/89/564412089.db2.gz IKWDXOWNCGNVKH-INIZCTEOSA-N 1 0 378.460 2.908 20 0 GFADRO C[N@H+](CCc1ccccc1)[C@@H]1CCN(S(=O)(=O)CCCC(F)(F)F)C1 ZINC000568264970 564412205 /nfs/dbraw/zinc/41/22/05/564412205.db2.gz IKWDXOWNCGNVKH-MRXNPFEDSA-N 1 0 378.460 2.908 20 0 GFADRO C[C@H]1CN(C(=O)Nc2ccc(I)cc2F)[C@@H](C)C[NH2+]1 ZINC000568296329 564412973 /nfs/dbraw/zinc/41/29/73/564412973.db2.gz GKTVHESTIZSQQJ-IUCAKERBSA-N 1 0 377.201 2.644 20 0 GFADRO O=c1ccc(Br)cn1CC[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000568295352 564413368 /nfs/dbraw/zinc/41/33/68/564413368.db2.gz ZBIGSKMHUWSXLX-AWEZNQCLSA-N 1 0 378.226 2.796 20 0 GFADRO Cc1cc(Br)cn2c(CN(CC[NH+](C)C)C[C@H]3CCCO3)cnc12 ZINC000568328461 564414109 /nfs/dbraw/zinc/41/41/09/564414109.db2.gz WHCOHHHCZOVWHI-QGZVFWFLSA-N 1 0 395.345 2.948 20 0 GFADRO C[C@@H](CC[NH3+])NC(=O)c1ccc(I)c(Br)c1 ZINC000568390012 564416280 /nfs/dbraw/zinc/41/62/80/564416280.db2.gz OHEDRKUCKXCVBV-ZETCQYMHSA-N 1 0 397.054 2.521 20 0 GFADRO CS(=O)(=O)N1CCCC[C@H]1C[NH2+]Cc1ccc(OC(F)F)c(Cl)c1 ZINC000512997727 564416700 /nfs/dbraw/zinc/41/67/00/564416700.db2.gz QPBYUXYCUKTQQQ-LBPRGKRZSA-N 1 0 382.860 2.845 20 0 GFADRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)Cc1noc2ccc(Br)cc21 ZINC000568383330 564416799 /nfs/dbraw/zinc/41/67/99/564416799.db2.gz BBGNYGOFSWZMEK-BMIGLBTASA-N 1 0 378.270 2.732 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@]12CCC(=O)N1c1cc(Cl)ccc1S2 ZINC000512966543 564416987 /nfs/dbraw/zinc/41/69/87/564416987.db2.gz ISESOTKJOMKXJB-ACJLOTCBSA-N 1 0 379.913 2.869 20 0 GFADRO CCOc1cc(C[NH2+]C[C@@H]2CCCCN2S(C)(=O)=O)cc(Cl)c1OC ZINC000512972955 564417040 /nfs/dbraw/zinc/41/70/40/564417040.db2.gz XVBFEUYOJWPDHZ-AWEZNQCLSA-N 1 0 390.933 2.651 20 0 GFADRO C[C@@H]1CN(C(=O)c2ccc(I)c(F)c2)C[C@H](C)N1C ZINC000513066483 564418605 /nfs/dbraw/zinc/41/86/05/564418605.db2.gz ZVZHPFSXUNLWDJ-AOOOYVTPSA-N 1 0 376.213 2.595 20 0 GFADRO CC[NH+]1C[C@@H](C)N(C(=O)c2csc(I)c2)[C@H](C)C1 ZINC000568438303 564418987 /nfs/dbraw/zinc/41/89/87/564418987.db2.gz OMWXKECUHBMAQV-NXEZZACHSA-N 1 0 378.279 2.907 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2ccc(Cl)cc2C(=O)OC)C[C@@H]1C ZINC000513131525 564421591 /nfs/dbraw/zinc/42/15/91/564421591.db2.gz IBSAMRIEELIVIY-JSGCOSHPSA-N 1 0 388.917 2.620 20 0 GFADRO Cc1cccc(C[C@@H](CO)[NH2+]C[C@H](O)COc2ccc(Br)cc2)c1 ZINC000568511715 564421825 /nfs/dbraw/zinc/42/18/25/564421825.db2.gz SSKHYEFJJFYFIV-ROUUACIJSA-N 1 0 394.309 2.690 20 0 GFADRO CCC[NH2+][C@H](C)C(=O)N[C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000568508728 564422410 /nfs/dbraw/zinc/42/24/10/564422410.db2.gz MCTFREUSNNKXQG-ZYHUDNBSSA-N 1 0 378.826 2.837 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)C(=O)N1CC[C@@H]([NH+](CC)CC)C1 ZINC000479021833 564422538 /nfs/dbraw/zinc/42/25/38/564422538.db2.gz KILNRRMXFOAFDU-OAHLLOKOSA-N 1 0 396.329 2.893 20 0 GFADRO CCC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(Br)cc2CC)CC1 ZINC000479037289 564423221 /nfs/dbraw/zinc/42/32/21/564423221.db2.gz ZTWIRQCFXMSAHC-UHFFFAOYSA-N 1 0 396.329 2.941 20 0 GFADRO C[C@@H]([NH2+]CCOCC(F)(F)F)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000479074300 564423883 /nfs/dbraw/zinc/42/38/83/564423883.db2.gz ZUSQZXPOQGOCDH-SSDOTTSWSA-N 1 0 395.230 2.870 20 0 GFADRO C[C@H]([NH2+]C[C@@H](O)CN1C[C@@H](C)O[C@@H](C)C1)c1ccc(Br)cc1F ZINC000568568009 564425146 /nfs/dbraw/zinc/42/51/46/564425146.db2.gz AULHUFNXBHYFNX-SFDCQRBFSA-N 1 0 389.309 2.709 20 0 GFADRO CO[C@H](C)C[N@H+](C)[C@@H](C)C(=O)Nc1ccc(I)cc1 ZINC000513265569 564426151 /nfs/dbraw/zinc/42/61/51/564426151.db2.gz GKDJFMUKSJHPPQ-MNOVXSKESA-N 1 0 376.238 2.585 20 0 GFADRO Cc1c([C@@H](C)[NH2+]CCc2ccn(C)n2)nnn1-c1cccc(Br)c1 ZINC000545519679 564427282 /nfs/dbraw/zinc/42/72/82/564427282.db2.gz UNCKAFHKJVTVJJ-GFCCVEGCSA-N 1 0 389.301 2.965 20 0 GFADRO O=C(Nc1cc(Cl)ccc1Cl)[C@H]1CCCCN1CCN1CC[NH2+]CC1 ZINC000568630371 564428105 /nfs/dbraw/zinc/42/81/05/564428105.db2.gz IOXNVZSKYRXSQB-QGZVFWFLSA-N 1 0 385.339 2.692 20 0 GFADRO CC[NH+](CC)CC(=O)N1CCN(Cc2cc(F)ccc2Br)CC1 ZINC000513425489 564429516 /nfs/dbraw/zinc/42/95/16/564429516.db2.gz WVMPTJPEJMHZFC-UHFFFAOYSA-N 1 0 386.309 2.574 20 0 GFADRO Cn1cc(Br)c(CNC(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)n1 ZINC000452753552 564429880 /nfs/dbraw/zinc/42/98/80/564429880.db2.gz IZQIMMBCNICXQC-QGZVFWFLSA-N 1 0 391.313 2.854 20 0 GFADRO CC(=O)c1cc(Br)ccc1OCC(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000513484631 564431053 /nfs/dbraw/zinc/43/10/53/564431053.db2.gz LTJWCMLHZAODJP-FZMZJTMJSA-N 1 0 383.286 2.629 20 0 GFADRO Cc1cc(Br)cc(Cl)c1C(=O)NC[C@@H]1CCC[N@@H+]1CCCO ZINC000452787135 564431348 /nfs/dbraw/zinc/43/13/48/564431348.db2.gz ZCMBJMRVBYUXQK-ZDUSSCGKSA-N 1 0 389.721 2.988 20 0 GFADRO CC(=O)Nc1ccc(S(=O)(=O)NCC[NH+]2[C@@H](C)CCC[C@@H]2C)cc1Cl ZINC000479220253 564431850 /nfs/dbraw/zinc/43/18/50/564431850.db2.gz FHELORYHUFZOIH-STQMWFEESA-N 1 0 387.933 2.840 20 0 GFADRO Cc1nc([C@H]2CCN(Cc3nc4ccc(Br)cc4n3C)C2)n[nH]1 ZINC000568730294 564432088 /nfs/dbraw/zinc/43/20/88/564432088.db2.gz VMGQJSFLEDHSPU-NSHDSACASA-N 1 0 375.274 2.752 20 0 GFADRO Cc1nc([C@@H]2CCN(Cc3nc4ccc(Br)cc4n3C)C2)n[nH]1 ZINC000568730293 564432380 /nfs/dbraw/zinc/43/23/80/564432380.db2.gz VMGQJSFLEDHSPU-LLVKDONJSA-N 1 0 375.274 2.752 20 0 GFADRO C[N@@H+]1CC[C@](O)(CNC(=O)c2csc(-c3ccc(Cl)c(Cl)c3)n2)C1 ZINC000545863930 564434227 /nfs/dbraw/zinc/43/42/27/564434227.db2.gz RLVYZOMGGOFRHS-INIZCTEOSA-N 1 0 386.304 2.913 20 0 GFADRO CCS(=O)(=O)N1CCC([C@@H](C)[N@H+](C)Cc2cc(F)c(F)c(F)c2)CC1 ZINC000568799953 564435475 /nfs/dbraw/zinc/43/54/75/564435475.db2.gz JFPMRAMMCPIEMO-GFCCVEGCSA-N 1 0 378.460 2.986 20 0 GFADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)Nc1ccc(Cl)cc1OC(F)F ZINC000545875515 564435699 /nfs/dbraw/zinc/43/56/99/564435699.db2.gz PDGHIBPQWVVFHV-JTQLQIEISA-N 1 0 377.819 2.726 20 0 GFADRO O=C(NCc1cc(Br)cc2c1OCC2)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000545900859 564436533 /nfs/dbraw/zinc/43/65/33/564436533.db2.gz HZIUZDJLQBZZFC-HZPDHXFCSA-N 1 0 394.313 2.810 20 0 GFADRO C[C@H]1C[C@H](NC(=O)NCc2cc(Br)cc3c2OCC3)CC[N@@H+]1C ZINC000545901021 564436889 /nfs/dbraw/zinc/43/68/89/564436889.db2.gz FXRTWPNHWAFUHT-XHDPSFHLSA-N 1 0 382.302 2.666 20 0 GFADRO COC(=O)CCCN1CCC([NH2+]CCc2nc(C(F)(F)F)cs2)CC1 ZINC000545916946 564437831 /nfs/dbraw/zinc/43/78/31/564437831.db2.gz WIUQTTUPLHDDEN-UHFFFAOYSA-N 1 0 379.448 2.712 20 0 GFADRO C[C@H](OC[C@@H](O)C[NH2+]CCC1CCS(=O)(=O)CC1)c1ccc(Cl)cc1 ZINC000568857625 564437980 /nfs/dbraw/zinc/43/79/80/564437980.db2.gz JOFLUGYZIFCKGK-KSSFIOAISA-N 1 0 389.945 2.583 20 0 GFADRO Cc1cc(C(=O)N2C[C@H]3CC[N@@H+](C)[C@H]3C2)nn1-c1ccc(Br)cc1 ZINC000452972620 564439695 /nfs/dbraw/zinc/43/96/95/564439695.db2.gz JKRWALREVRVJTJ-DYVFJYSZSA-N 1 0 389.297 2.719 20 0 GFADRO CS(=O)(=O)N1CC[C@@H](C[N@H+](Cc2ccccc2C(F)(F)F)C2CC2)C1 ZINC000513898645 564442188 /nfs/dbraw/zinc/44/21/88/564442188.db2.gz NZYMCENPIGQPHR-ZDUSSCGKSA-N 1 0 376.444 2.951 20 0 GFADRO Cc1[nH]c2ccc(Br)cc2c1CC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000568963559 564442357 /nfs/dbraw/zinc/44/23/57/564442357.db2.gz VXZAQHFHEKWNOF-CHWSQXEVSA-N 1 0 376.298 2.849 20 0 GFADRO CC[N@@H+](CC(=O)N(C)CCOc1ccc(Br)cc1)C[C@H]1CCCO1 ZINC000513959991 564443186 /nfs/dbraw/zinc/44/31/86/564443186.db2.gz XQLMYULMGLPDAG-QGZVFWFLSA-N 1 0 399.329 2.787 20 0 GFADRO O=S(=O)(NC1CC[NH+](Cc2ccccc2)CC1)c1ccc(Br)o1 ZINC000546091743 564443883 /nfs/dbraw/zinc/44/38/83/564443883.db2.gz FECUITJTUPYMAC-UHFFFAOYSA-N 1 0 399.310 2.985 20 0 GFADRO CCN(CCC[NH2+][C@@H](Cc1ccccc1Cl)[C@H]1CCCO1)S(C)(=O)=O ZINC000453061589 564445471 /nfs/dbraw/zinc/44/54/71/564445471.db2.gz DFCGUSCSLDDGRF-ZWKOTPCHSA-N 1 0 388.961 2.691 20 0 GFADRO O[C@H](C[NH2+]Cc1cn2ccccc2n1)COc1ccc(Br)cc1 ZINC000569021532 564445527 /nfs/dbraw/zinc/44/55/27/564445527.db2.gz NGPFJKSTBMTDTI-OAHLLOKOSA-N 1 0 376.254 2.626 20 0 GFADRO CC(C)([NH2+]C[C@H]1CCN(S(C)(=O)=O)C1)c1ccc(Br)cc1 ZINC000514076250 564445640 /nfs/dbraw/zinc/44/56/40/564445640.db2.gz UWTPNUSQKAYYMB-GFCCVEGCSA-N 1 0 375.332 2.555 20 0 GFADRO CN1CCN(C(=O)CC[NH2+]C(C)(C)Cc2ccc(Br)cc2)CC1 ZINC000514074547 564445964 /nfs/dbraw/zinc/44/59/64/564445964.db2.gz QADNHSSSDQQDKD-UHFFFAOYSA-N 1 0 382.346 2.524 20 0 GFADRO C[C@H]([NH2+]C(C)(C)CNS(=O)(=O)CCOCC(F)(F)F)c1ccccc1 ZINC000569039523 564446430 /nfs/dbraw/zinc/44/64/30/564446430.db2.gz ZFZHLYXGFDWDAX-ZDUSSCGKSA-N 1 0 382.448 2.614 20 0 GFADRO CCOC(=O)[C@H](C)[C@@H](C)[NH2+]CC(=O)N[C@H](C)c1ccc(Br)cc1 ZINC000514244103 564447730 /nfs/dbraw/zinc/44/77/30/564447730.db2.gz CGXZUBQZBTXITQ-JHJVBQTASA-N 1 0 385.302 2.804 20 0 GFADRO CCOC(=O)[C@H](C)[C@@H](C)[NH2+]C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000514247830 564449003 /nfs/dbraw/zinc/44/90/03/564449003.db2.gz HSIZPBAFHRWADM-GYSYKLTISA-N 1 0 392.265 2.505 20 0 GFADRO C[C@@H](NC[C@@H]1CCC[N@@H+]1CCCO)c1ccccc1I ZINC000453259531 564451196 /nfs/dbraw/zinc/45/11/96/564451196.db2.gz PZUXERGDELCXRT-KGLIPLIRSA-N 1 0 388.293 2.789 20 0 GFADRO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N(C)Cc1ccc(Cl)s1 ZINC000514626296 564451608 /nfs/dbraw/zinc/45/16/08/564451608.db2.gz UDNXREGVYBZAKV-AWEZNQCLSA-N 1 0 385.961 2.987 20 0 GFADRO CC[C@@H](CNS(C)(=O)=O)[NH2+][C@H]1CCCOc2ccc(Br)cc21 ZINC000453288644 564452075 /nfs/dbraw/zinc/45/20/75/564452075.db2.gz RJKDGAQUNFZGQO-JSGCOSHPSA-N 1 0 391.331 2.580 20 0 GFADRO CC[C@@H](CNS(C)(=O)=O)[NH2+][C@@H](Cc1cccnc1)c1ccc(Cl)cc1 ZINC000453294352 564453282 /nfs/dbraw/zinc/45/32/82/564453282.db2.gz WYOLUZPZVYLBCM-ROUUACIJSA-N 1 0 381.929 2.936 20 0 GFADRO Cc1nn(Cc2cccc(Br)c2)c(C)c1C(=O)N[C@@H](C)[C@@H](C)[NH3+] ZINC000514672574 564453511 /nfs/dbraw/zinc/45/35/11/564453511.db2.gz RXECLMGZQBBNME-MNOVXSKESA-N 1 0 379.302 2.776 20 0 GFADRO COc1ccc(C[C@H](CO)C[NH2+][C@@H](C)c2nccn2C)cc1Br ZINC000453340348 564453901 /nfs/dbraw/zinc/45/39/01/564453901.db2.gz BQWBTCKMXDCCMW-JSGCOSHPSA-N 1 0 382.302 2.693 20 0 GFADRO CC[C@@H]([NH2+][C@H](C)Cc1cnn(C)c1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000453337335 564454014 /nfs/dbraw/zinc/45/40/14/564454014.db2.gz JRASQAPINBMVKE-MLGOLLRUSA-N 1 0 384.933 2.654 20 0 GFADRO CC[C@H]([NH2+][C@H](C)Cc1cnn(C)c1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000453337337 564454060 /nfs/dbraw/zinc/45/40/60/564454060.db2.gz JRASQAPINBMVKE-WBMJQRKESA-N 1 0 384.933 2.654 20 0 GFADRO O[C@H](C[NH2+][C@H]1CCN(C2CC2)C1)COc1ccc(Cl)cc1Br ZINC000569229225 564454412 /nfs/dbraw/zinc/45/44/12/564454412.db2.gz LYVPKYHNIYPLPR-GXTWGEPZSA-N 1 0 389.721 2.669 20 0 GFADRO COCC[NH2+]C1CCN(C(=O)NCc2c(C)cc(Br)cc2C)CC1 ZINC000569230145 564454905 /nfs/dbraw/zinc/45/49/05/564454905.db2.gz PHANXGGEDLBMFJ-UHFFFAOYSA-N 1 0 398.345 2.976 20 0 GFADRO C[C@H]([NH2+]CCn1cc(Br)cn1)[C@@H](c1ccccc1)N1CCOCC1 ZINC000514744590 564455702 /nfs/dbraw/zinc/45/57/02/564455702.db2.gz FNVQDKQKROWQAB-YJBOKZPZSA-N 1 0 393.329 2.697 20 0 GFADRO COc1ccc(Br)cc1C[C@@H](CO)C[NH2+][C@@H]1CCn2ccnc21 ZINC000453392953 564455853 /nfs/dbraw/zinc/45/58/53/564455853.db2.gz ZCYPLMUAXDXCSY-IUODEOHRSA-N 1 0 380.286 2.540 20 0 GFADRO CC[C@@H]([NH2+][C@H]1CCCOc2ccc(I)cc21)C(=O)NC ZINC000453399458 564457028 /nfs/dbraw/zinc/45/70/28/564457028.db2.gz KBBHXBIVHUUFAL-OLZOCXBDSA-N 1 0 388.249 2.619 20 0 GFADRO Cc1cnc(CC[NH2+][C@H](C)c2cc(S(N)(=O)=O)c(Cl)cc2Cl)cn1 ZINC000453404816 564457320 /nfs/dbraw/zinc/45/73/20/564457320.db2.gz PZVNISCPNFGRKR-SNVBAGLBSA-N 1 0 389.308 2.633 20 0 GFADRO Cc1cc(Br)c(C[NH2+]CCc2ccc(S(N)(=O)=O)cc2)s1 ZINC000453578403 564458668 /nfs/dbraw/zinc/45/86/68/564458668.db2.gz YOAYCWSMUILPMM-UHFFFAOYSA-N 1 0 389.340 2.799 20 0 GFADRO C[C@H]1C[N@H+](C)[C@@H](C)CN1c1ncnc2cccc(I)c21 ZINC000546582401 564460616 /nfs/dbraw/zinc/46/06/16/564460616.db2.gz ZAEBIOAEPUXXRL-QWRGUYRKSA-N 1 0 382.249 2.763 20 0 GFADRO C[C@H](NC(=O)C1CC[NH+]([C@H]2CCSC2)CC1)c1ccc([S@@](C)=O)cc1 ZINC000569376585 564460665 /nfs/dbraw/zinc/46/06/65/564460665.db2.gz AQWZGUVLCQSVIJ-IYCMYEMBSA-N 1 0 380.579 2.819 20 0 GFADRO CO[C@H](C[NH2+][C@@H]1CCS(=O)(=O)c2ccc(Br)cc21)C(C)C ZINC000480173522 564462475 /nfs/dbraw/zinc/46/24/75/564462475.db2.gz XDZGSGDFNQABKX-ZIAGYGMSSA-N 1 0 376.316 2.928 20 0 GFADRO C[C@H](CCCC(F)(F)F)[NH2+]Cc1ccccc1S(=O)(=O)N(C)CCO ZINC000480193095 564463298 /nfs/dbraw/zinc/46/32/98/564463298.db2.gz DBUXHOGZJKJXKC-CYBMUJFWSA-N 1 0 382.448 2.510 20 0 GFADRO CC[C@@H](C)N(C)CC[NH2+][C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000480230596 564464682 /nfs/dbraw/zinc/46/46/82/564464682.db2.gz WKLXPINNGYLNCT-DOMZBBRYSA-N 1 0 389.359 2.988 20 0 GFADRO CN1CC[NH+](CCCCNC(=O)C(C)(C)c2ccccc2Br)CC1 ZINC000514993429 564464984 /nfs/dbraw/zinc/46/49/84/564464984.db2.gz KBPFBKMPPZZRQX-UHFFFAOYSA-N 1 0 396.373 2.871 20 0 GFADRO C[C@@H]1CN(C[C@@H](O)C[NH2+]CCOCc2ccc(Cl)cc2Cl)C[C@@H](C)O1 ZINC000515054710 564466941 /nfs/dbraw/zinc/46/69/41/564466941.db2.gz MRWBUUDXIGRDHG-CPUCHLNUSA-N 1 0 391.339 2.570 20 0 GFADRO O=S1(=O)CC[C@](O)(C[NH2+][C@H](Cc2ccccc2Cl)c2ccsc2)C1 ZINC000515038420 564467190 /nfs/dbraw/zinc/46/71/90/564467190.db2.gz FCOGPWYKISQBJH-SJORKVTESA-N 1 0 385.938 2.825 20 0 GFADRO O[C@H](C[NH2+]CCCN1CCN(c2cccc(Cl)c2)CC1)CC(F)(F)F ZINC000515055214 564467905 /nfs/dbraw/zinc/46/79/05/564467905.db2.gz VMKZXCLJQLFPFF-INIZCTEOSA-N 1 0 379.854 2.755 20 0 GFADRO O=S1(=O)CC[C@H]([NH2+]CCCn2ccnc2)c2cc(Br)ccc21 ZINC000480329272 564468858 /nfs/dbraw/zinc/46/88/58/564468858.db2.gz PQZTYMFILRSYRG-AWEZNQCLSA-N 1 0 384.299 2.544 20 0 GFADRO [NH3+][C@@H](CCC(=O)NCCS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 ZINC000569567733 564469096 /nfs/dbraw/zinc/46/90/96/564469096.db2.gz YMSBITUITCOPEX-KRWDZBQOSA-N 1 0 380.897 2.710 20 0 GFADRO O=C(Nc1cnn(-c2ncc(Cl)cc2Cl)c1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000569574069 564469497 /nfs/dbraw/zinc/46/94/97/564469497.db2.gz OCHMHVISKGRPHI-TXEJJXNPSA-N 1 0 381.267 2.932 20 0 GFADRO O=C1[C@@H](N2CC[NH2+]C[C@H]2c2cccc(Cl)c2)CCCN1CC(F)(F)F ZINC000569577718 564469682 /nfs/dbraw/zinc/46/96/82/564469682.db2.gz ZHBQLQOTIJOFDT-GJZGRUSLSA-N 1 0 375.822 2.840 20 0 GFADRO CN(C)CC[N@H+](C)CCCNC(=O)c1ccc(Br)c(Cl)c1 ZINC000569646734 564472344 /nfs/dbraw/zinc/47/23/44/564472344.db2.gz SSYGGGRQJKICTB-UHFFFAOYSA-N 1 0 376.726 2.716 20 0 GFADRO CC[N@@H+]1CCCC[C@@H]1C(=O)NCc1cn2cc(Br)cc(C)c2n1 ZINC000546898984 564473510 /nfs/dbraw/zinc/47/35/10/564473510.db2.gz HBPQPENOPLHSOU-OAHLLOKOSA-N 1 0 379.302 2.896 20 0 GFADRO COC(=O)c1cn([C@@H]2CC[N@H+](C[C@@H](C)c3cccc(Br)c3)C2)nn1 ZINC000546972596 564475981 /nfs/dbraw/zinc/47/59/81/564475981.db2.gz NHDFLSDISJIFMG-IUODEOHRSA-N 1 0 393.285 2.878 20 0 GFADRO COc1ccc([C@H]([NH2+]CCS(=O)(=O)N(C)C)C(C)C)c(Br)c1 ZINC000569747489 564476569 /nfs/dbraw/zinc/47/65/69/564476569.db2.gz RAFZGYAXISKRPG-OAHLLOKOSA-N 1 0 393.347 2.636 20 0 GFADRO Cn1ncc(NC[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)c(Br)c1=O ZINC000480532824 564476719 /nfs/dbraw/zinc/47/67/19/564476719.db2.gz XZACPVRFFWCIAY-INIZCTEOSA-N 1 0 391.313 2.865 20 0 GFADRO C[C@@H]1CN(C[C@H](O)C[NH2+]CC(C)(C)c2cccc(Br)c2)C[C@H](C)O1 ZINC000515414563 564478260 /nfs/dbraw/zinc/47/82/60/564478260.db2.gz JMCYTIGGDHINOJ-RVKKMQEKSA-N 1 0 399.373 2.786 20 0 GFADRO O=C(NCCc1nc(C(F)(F)F)cs1)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000515402499 564478360 /nfs/dbraw/zinc/47/83/60/564478360.db2.gz UCQYZFFFMOZFIP-LBPRGKRZSA-N 1 0 376.448 2.878 20 0 GFADRO CCOCCOc1ccc(Br)cc1NC(=O)N[C@@H](C)C[NH+](C)C ZINC000480653916 564480873 /nfs/dbraw/zinc/48/08/73/564480873.db2.gz ONYKXSWFCXOHGS-LBPRGKRZSA-N 1 0 388.306 2.936 20 0 GFADRO C[C@@H](NC[C@]1(O)CC[N@H+](C)C1)c1ccc(Br)cc1Br ZINC000547278367 564481220 /nfs/dbraw/zinc/48/12/20/564481220.db2.gz GMCWKSOFSJMCQM-QMTHXVAHSA-N 1 0 392.135 2.929 20 0 GFADRO O=S(=O)(c1cc(Br)ccc1F)N1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000569913283 564483835 /nfs/dbraw/zinc/48/38/35/564483835.db2.gz ADBHMVVYNHGXFF-ZIAGYGMSSA-N 1 0 391.306 2.883 20 0 GFADRO CC[NH+](CC)C[C@@H](C)NS(=O)(=O)c1cc(Cl)ccc1O[C@@H](C)COC ZINC000480716035 564483980 /nfs/dbraw/zinc/48/39/80/564483980.db2.gz WARAUJZWPNHUEF-KGLIPLIRSA-N 1 0 392.949 2.762 20 0 GFADRO C[C@@H](NC(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1)c1cc(F)c(Cl)cc1Cl ZINC000569945766 564485033 /nfs/dbraw/zinc/48/50/33/564485033.db2.gz YSUHYFWWUBDPRL-GHMZBOCLSA-N 1 0 390.286 2.862 20 0 GFADRO C[C@H](CCc1ccc(Cl)s1)[NH2+]C[C@@H]1CCCCN1S(=O)(=O)N(C)C ZINC000570005726 564486943 /nfs/dbraw/zinc/48/69/43/564486943.db2.gz VWRQRWXLNZKYGN-KGLIPLIRSA-N 1 0 394.006 2.973 20 0 GFADRO Cc1cc(I)cc(C(=O)N[C@@H](C)Cn2ccnc2)c1C ZINC000480787488 564488485 /nfs/dbraw/zinc/48/84/85/564488485.db2.gz PYBHYCSSRBNJRM-NSHDSACASA-N 1 0 383.233 2.923 20 0 GFADRO [NH3+]CC[C@@H](NC(=O)[C@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl)C(F)F ZINC000570043523 564489789 /nfs/dbraw/zinc/48/97/89/564489789.db2.gz OYGMERBBNKKXRY-CHWSQXEVSA-N 1 0 394.249 2.697 20 0 GFADRO COC(=O)[C@H](c1cccc(Cl)c1Cl)N1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000516066139 564492138 /nfs/dbraw/zinc/49/21/38/564492138.db2.gz VUTAFSQUPRWIGM-LRDDRELGSA-N 1 0 387.307 2.895 20 0 GFADRO CC[NH+](CC)CCS(=O)(=O)N1CCCc2cc(Br)ccc21 ZINC000516217790 564496912 /nfs/dbraw/zinc/49/69/12/564496912.db2.gz RJAHNVKDSNXLIP-UHFFFAOYSA-N 1 0 375.332 2.873 20 0 GFADRO C[N@H+](CCCCNC(=O)C(=O)Nc1ccc(Br)cc1F)C1CC1 ZINC000454098794 564497804 /nfs/dbraw/zinc/49/78/04/564497804.db2.gz QUMBYQCVWWZZEQ-UHFFFAOYSA-N 1 0 386.265 2.517 20 0 GFADRO O=S(=O)(c1ccc(C(F)(F)F)cn1)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000480982782 564499119 /nfs/dbraw/zinc/49/91/19/564499119.db2.gz QMJYRFBQCFKZLQ-CQSZACIVSA-N 1 0 377.432 2.739 20 0 GFADRO COCCOc1ccc(Br)cc1NC(=O)NCC[N@H+](C)C(C)C ZINC000480998685 564499831 /nfs/dbraw/zinc/49/98/31/564499831.db2.gz NCYLHJZAOBFAMZ-UHFFFAOYSA-N 1 0 388.306 2.936 20 0 GFADRO C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)c1cnn(-c2cccc(Br)c2)c1 ZINC000570322074 564501090 /nfs/dbraw/zinc/50/10/90/564501090.db2.gz UEQBGZIASISRDP-HSMVNMDESA-N 1 0 377.286 2.751 20 0 GFADRO CSC1(CNS(=O)(=O)c2ccc(-n3cccc3)cc2)CC[NH+](C)CC1 ZINC000570368804 564502852 /nfs/dbraw/zinc/50/28/52/564502852.db2.gz AWVWKYLQERLLBL-UHFFFAOYSA-N 1 0 379.551 2.583 20 0 GFADRO CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000481110096 564504302 /nfs/dbraw/zinc/50/43/02/564504302.db2.gz RCXBXROTGGOBTE-KGLIPLIRSA-N 1 0 385.961 2.987 20 0 GFADRO C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+]1CCC[C@H](CO)CC1 ZINC000570424506 564505415 /nfs/dbraw/zinc/50/54/15/564505415.db2.gz YDVVBFQGVOQBJH-ZBFHGGJFSA-N 1 0 383.330 2.890 20 0 GFADRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1c1ncnc2cc(F)c(Br)cc21 ZINC000547708876 564507712 /nfs/dbraw/zinc/50/77/12/564507712.db2.gz SNZBFPPBJHYDQT-LLVKDONJSA-N 1 0 397.292 2.813 20 0 GFADRO COc1c[nH+]ccc1N1CCN(S(=O)(=O)c2ccc(C)c(Cl)c2)CC1 ZINC000481471709 564513433 /nfs/dbraw/zinc/51/34/33/564513433.db2.gz IMOCRXZBGOZNNJ-UHFFFAOYSA-N 1 0 381.885 2.563 20 0 GFADRO COCCC[N@H+](C)CCNC(=O)N[C@@H](C)c1ccc(F)c(Br)c1 ZINC000454546672 564513628 /nfs/dbraw/zinc/51/36/28/564513628.db2.gz HJFNZQRXJJQCEJ-LBPRGKRZSA-N 1 0 390.297 2.917 20 0 GFADRO O=C(NCc1nc2c(cccc2Br)[nH]1)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000516911629 564516372 /nfs/dbraw/zinc/51/63/72/564516372.db2.gz UJZGTZNDDOUAHL-JSGCOSHPSA-N 1 0 392.301 2.751 20 0 GFADRO CC(C)(CNC(=O)CNC(=O)c1ccc(Cl)c(Cl)c1)C[NH+]1CCCC1 ZINC000481589176 564516621 /nfs/dbraw/zinc/51/66/21/564516621.db2.gz YDWUJJOIUMBLGG-UHFFFAOYSA-N 1 0 386.323 2.961 20 0 GFADRO O=C1C[C@H](C[NH2+]Cc2cn(-c3ccc(Cl)c(Cl)c3)nn2)CN1C1CC1 ZINC000570689313 564517439 /nfs/dbraw/zinc/51/74/39/564517439.db2.gz LKJAUNYLRDWVHV-LLVKDONJSA-N 1 0 380.279 2.675 20 0 GFADRO Cc1nn(C)c(C)c1C[C@@H](C)[NH2+]C[C@@H](O)COc1cccc(Br)c1 ZINC000570676002 564517453 /nfs/dbraw/zinc/51/74/53/564517453.db2.gz FEFXYUHGHMDIHY-MLGOLLRUSA-N 1 0 396.329 2.760 20 0 GFADRO C[C@H](Cc1cc(Br)ccc1F)NC(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000454720370 564520563 /nfs/dbraw/zinc/52/05/63/564520563.db2.gz FVWZELVZXVBGQR-BFQNTYOBSA-N 1 0 384.293 2.865 20 0 GFADRO C[C@@H](C[NH+](C)C)NC(=O)Nc1ccnn1Cc1ccc(Br)cc1 ZINC000481736963 564521725 /nfs/dbraw/zinc/52/17/25/564521725.db2.gz BSVODEMLJITBMZ-LBPRGKRZSA-N 1 0 380.290 2.766 20 0 GFADRO O[C@H](C[NH2+]CCc1cnc(C2CC2)nc1)COc1ccc(Br)cc1 ZINC000517025423 564521815 /nfs/dbraw/zinc/52/18/15/564521815.db2.gz RPQMFRWFOWBXOA-MRXNPFEDSA-N 1 0 392.297 2.689 20 0 GFADRO O=C(N[C@@H]1CCc2c1cccc2Br)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000517023949 564521840 /nfs/dbraw/zinc/52/18/40/564521840.db2.gz DGJLBPGPQLNKMW-SUMWQHHRSA-N 1 0 389.297 2.987 20 0 GFADRO O=C(C1CCC([NH2+][C@H]2CCO[C@H](C(F)(F)F)C2)CC1)N1CCSCC1 ZINC000517036321 564522282 /nfs/dbraw/zinc/52/22/82/564522282.db2.gz CIAIIYLWLJITDK-WUCCLRPBSA-N 1 0 380.476 2.820 20 0 GFADRO CO[C@@H]1CCN(C(=O)[C@@H](C)Sc2ccc(Br)cc2)[C@@H](C[NH3+])C1 ZINC000517125202 564525242 /nfs/dbraw/zinc/52/52/42/564525242.db2.gz BZKOBCNEHIODAD-MRVWCRGKSA-N 1 0 387.343 2.894 20 0 GFADRO CC[C@H](Cc1ccccc1Br)[N@H+](C)CCCS(=O)(=O)NC ZINC000481845388 564526122 /nfs/dbraw/zinc/52/61/22/564526122.db2.gz WBMBIMAEEUFFSY-CQSZACIVSA-N 1 0 377.348 2.641 20 0 GFADRO CN(C)CC[N@H+](C)CCCNC(=O)Nc1ccc(F)c(Br)c1 ZINC000454902523 564526624 /nfs/dbraw/zinc/52/66/24/564526624.db2.gz WSDPUMDYMDGUFM-UHFFFAOYSA-N 1 0 375.286 2.593 20 0 GFADRO CC[C@@H]([NH2+]Cc1ccc(OC)nc1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000481915539 564527874 /nfs/dbraw/zinc/52/78/74/564527874.db2.gz LWFKJBHURNHWAL-OAHLLOKOSA-N 1 0 383.901 2.893 20 0 GFADRO [NH3+]C1(CNCC(=O)Nc2ccc(Br)c(C(F)(F)F)c2)CCC1 ZINC000570928848 564527916 /nfs/dbraw/zinc/52/79/16/564527916.db2.gz RXYQQHUUXMDEPL-UHFFFAOYSA-N 1 0 380.208 2.877 20 0 GFADRO CC[NH2+]CCCNC(=O)NC1CCN(Cc2ccc(Br)cc2)CC1 ZINC000517225348 564528397 /nfs/dbraw/zinc/52/83/97/564528397.db2.gz DMOCHYNSDKBNEJ-UHFFFAOYSA-N 1 0 397.361 2.712 20 0 GFADRO C[C@@H]1CN(C(=O)NCc2cc(F)c(F)cc2Br)C[C@H](C)[N@H+]1C ZINC000454940279 564528560 /nfs/dbraw/zinc/52/85/60/564528560.db2.gz CLFNGBPXVRAQRX-AOOOYVTPSA-N 1 0 376.245 2.961 20 0 GFADRO Brc1ccn2cc(CN3CCC[C@H](C[NH+]4CCOCC4)C3)nc2c1 ZINC000570935264 564528824 /nfs/dbraw/zinc/52/88/24/564528824.db2.gz HJMJSIQXEMVSKH-OAHLLOKOSA-N 1 0 393.329 2.641 20 0 GFADRO C[C@@H]1CC[N@H+](CCNC(=O)CNC(=O)c2sc3ccccc3c2Cl)C1 ZINC000548107236 564531373 /nfs/dbraw/zinc/53/13/73/564531373.db2.gz DRHZRCVXPCTPHT-GFCCVEGCSA-N 1 0 379.913 2.743 20 0 GFADRO CSc1ccc([C@@H](CNC(=O)CNC(=O)c2cccs2)[NH+](C)C)cc1 ZINC000571000529 564531482 /nfs/dbraw/zinc/53/14/82/564531482.db2.gz AYRKBEBVAXKKCA-OAHLLOKOSA-N 1 0 377.535 2.619 20 0 GFADRO C[NH+](C)C1CCN(CCNC(=O)CCOc2ccc(Cl)c(Cl)c2)CC1 ZINC000482013735 564531534 /nfs/dbraw/zinc/53/15/34/564531534.db2.gz FOIYCMMHYPVYQV-UHFFFAOYSA-N 1 0 388.339 2.905 20 0 GFADRO C[N@@H+]1CCC[C@H](CNC(=O)NCCC(=O)Nc2cc(Cl)cc(Cl)c2)C1 ZINC000571043219 564533285 /nfs/dbraw/zinc/53/32/85/564533285.db2.gz SYCXPFDSSXIXRG-GFCCVEGCSA-N 1 0 387.311 2.963 20 0 GFADRO CC(C)(C)N1C[C@H]([NH2+]C[C@@H](O)COc2c(Cl)cccc2Cl)CC1=O ZINC000571074109 564534389 /nfs/dbraw/zinc/53/43/89/564534389.db2.gz HHGSXENJLWKJQR-VXGBXAGGSA-N 1 0 375.296 2.722 20 0 GFADRO CC[NH+]1CCN([C@@H](C)CNC(=O)CCCc2ccccc2Br)CC1 ZINC000482154352 564536016 /nfs/dbraw/zinc/53/60/16/564536016.db2.gz WJPZRMHMWBCBDB-INIZCTEOSA-N 1 0 396.373 2.914 20 0 GFADRO O=C(CCNC(=O)N1CC[NH+]2CCC1CC2)Nc1cc(Cl)cc(Cl)c1 ZINC000571167887 564538840 /nfs/dbraw/zinc/53/88/40/564538840.db2.gz ZYXGDLHLGWCNEC-UHFFFAOYSA-N 1 0 385.295 2.812 20 0 GFADRO O=c1cc2c(n[nH]1)CCN(Cc1nc(-c3cccc(Br)c3)c[nH]1)C2 ZINC000482272022 564540101 /nfs/dbraw/zinc/54/01/01/564540101.db2.gz ASVCOMWWHDZOIC-UHFFFAOYSA-N 1 0 386.253 2.893 20 0 GFADRO O=S(=O)(c1cccc(Br)c1Cl)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000571209377 564540679 /nfs/dbraw/zinc/54/06/79/564540679.db2.gz VUVLLUSFLVQSMC-AWEZNQCLSA-N 1 0 393.734 2.867 20 0 GFADRO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N(C)Cc1ccc(Br)cc1C ZINC000571210034 564541057 /nfs/dbraw/zinc/54/10/57/564541057.db2.gz UUBZLACPHRAACV-CQSZACIVSA-N 1 0 398.345 2.562 20 0 GFADRO C[C@H](SC[C@H]1CN(C)CCO1)C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000517741371 564541319 /nfs/dbraw/zinc/54/13/19/564541319.db2.gz LFJHZGOBCBBCNY-SMDDNHRTSA-N 1 0 378.416 2.976 20 0 GFADRO O=C(C[C@@H]1CSCC[NH2+]1)Nc1cnn(-c2ccccc2Br)c1 ZINC000517732253 564541420 /nfs/dbraw/zinc/54/14/20/564541420.db2.gz WWSRTOLDOPOAJV-LLVKDONJSA-N 1 0 381.299 2.668 20 0 GFADRO Cc1[nH]c(=O)sc1S(=O)(=O)NCC[NH2+][C@@H]1CCC[C@H]1CCC(C)C ZINC000482520361 564544526 /nfs/dbraw/zinc/54/45/26/564544526.db2.gz RZSUQGGVJLKEOA-UONOGXRCSA-N 1 0 375.560 2.630 20 0 GFADRO Cc1[nH]c(=O)sc1S(=O)(=O)NCC[NH2+][C@H]1CCC[C@H]1CCC(C)C ZINC000482520359 564544731 /nfs/dbraw/zinc/54/47/31/564544731.db2.gz RZSUQGGVJLKEOA-KBPBESRZSA-N 1 0 375.560 2.630 20 0 GFADRO O[C@@H](C[NH2+][C@@H]1C[C@H]1c1ccc(Br)c(F)c1)COC1CCOCC1 ZINC000571315875 564545926 /nfs/dbraw/zinc/54/59/26/564545926.db2.gz OZOUNHDTXIDISC-RVSPLBMKSA-N 1 0 388.277 2.590 20 0 GFADRO O=C(NC[C@@H]1CCC[N@H+]1CCCO)Nc1cc(Br)c(F)cc1F ZINC000455254682 564546057 /nfs/dbraw/zinc/54/60/57/564546057.db2.gz LZHFSTRIANPGKN-JTQLQIEISA-N 1 0 392.244 2.696 20 0 GFADRO O[C@H]([C@@H]1CCCN1Cc1cn2ccc(Br)cc2n1)C(F)(F)F ZINC000518152965 564546722 /nfs/dbraw/zinc/54/67/22/564546722.db2.gz TZAMBNVSDKNLNE-WCQYABFASA-N 1 0 378.192 2.984 20 0 GFADRO O=C(NCCC[C@H]1CCC[NH2+]1)[C@@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1 ZINC000518167765 564547814 /nfs/dbraw/zinc/54/78/14/564547814.db2.gz DSZPAXJAHMMWSY-IUODEOHRSA-N 1 0 384.307 2.995 20 0 GFADRO C[C@H]1[NH2+]CCN(C(=O)NCCNc2ncc(C(F)(F)F)cc2Cl)[C@@H]1C ZINC000571419538 564550367 /nfs/dbraw/zinc/55/03/67/564550367.db2.gz KSHCYXIWLDNIKB-NXEZZACHSA-N 1 0 379.814 2.558 20 0 GFADRO Cc1ccc(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC3)C2)cc1I ZINC000518367179 564551608 /nfs/dbraw/zinc/55/16/08/564551608.db2.gz DGSCQQPBFVPKIG-CQSZACIVSA-N 1 0 384.261 2.908 20 0 GFADRO C[NH+](C)CCOc1cnccc1CNC(=O)c1cc(F)cc(Br)c1 ZINC000571443127 564551685 /nfs/dbraw/zinc/55/16/85/564551685.db2.gz ZYIGJJYJNMNOIN-UHFFFAOYSA-N 1 0 396.260 2.854 20 0 GFADRO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)Nc1ccc(C(F)(F)F)cc1Br ZINC000571444191 564551791 /nfs/dbraw/zinc/55/17/91/564551791.db2.gz ISQZZEQJEKVITC-JGVFFNPUSA-N 1 0 396.207 2.648 20 0 GFADRO Cc1ccc(NC(=O)C[NH2+][C@@H](C2CC2)[C@@]2(CO)CCCO2)c(Br)c1 ZINC000518405637 564553107 /nfs/dbraw/zinc/55/31/07/564553107.db2.gz JMPUMHWXGRHVJX-ROUUACIJSA-N 1 0 397.313 2.606 20 0 GFADRO COc1c(Br)cccc1C[NH2+][C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000548477296 564553948 /nfs/dbraw/zinc/55/39/48/564553948.db2.gz LPXDXMGOYUTUIL-OLZOCXBDSA-N 1 0 376.316 2.903 20 0 GFADRO CC1CC[NH+](CC(=O)N(CCO)Cc2ccc(Br)s2)CC1 ZINC000482974927 564554743 /nfs/dbraw/zinc/55/47/43/564554743.db2.gz GPSFLNPEMCWCFR-UHFFFAOYSA-N 1 0 375.332 2.563 20 0 GFADRO O=S(=O)(NC[C@@H]1CCCN(Cc2csc(-c3ccco3)n2)C1)C1CC1 ZINC000571597053 564557994 /nfs/dbraw/zinc/55/79/94/564557994.db2.gz CSEOQDRHDSHTGL-ZDUSSCGKSA-N 1 0 381.523 2.697 20 0 GFADRO COC(=O)CC[C@H]([NH3+])C(=O)Nc1nc(C)c(Cc2cccc(Cl)c2)s1 ZINC000571639616 564559915 /nfs/dbraw/zinc/55/99/15/564559915.db2.gz SPINZIHXSUTQBN-ZDUSSCGKSA-N 1 0 381.885 2.915 20 0 GFADRO [NH3+][C@H](Cc1ccccc1)C(=O)N1CCOc2ccc(Br)cc2C1 ZINC000571639542 564560072 /nfs/dbraw/zinc/56/00/72/564560072.db2.gz PDRAXMVZRDAYBJ-MRXNPFEDSA-N 1 0 375.266 2.740 20 0 GFADRO C[C@H](CO)[N@H+](C[C@H](O)COc1cc(F)cc(Br)c1)CC1CCC1 ZINC000483140629 564560244 /nfs/dbraw/zinc/56/02/44/564560244.db2.gz IRJUJIDOZRGWAA-WBMJQRKESA-N 1 0 390.293 2.811 20 0 GFADRO CC[NH+](CC)CCNC(=O)Nc1ccn(-c2ccc(Br)cc2)n1 ZINC000455619207 564560648 /nfs/dbraw/zinc/56/06/48/564560648.db2.gz JELAKMQIEWAXJZ-UHFFFAOYSA-N 1 0 380.290 3.098 20 0 GFADRO C[C@@H]1CC[N@H+](C)CCN1C(=O)Nc1ccn(-c2ccc(Br)cc2)n1 ZINC000455638327 564562289 /nfs/dbraw/zinc/56/22/89/564562289.db2.gz GTEVMKSMLSDUQG-CYBMUJFWSA-N 1 0 392.301 3.193 20 0 GFADRO C[C@@H]1C[NH+](CCCNC(=O)Nc2nc(CC(F)(F)F)cs2)C[C@@H](C)O1 ZINC000455698985 564565652 /nfs/dbraw/zinc/56/56/52/564565652.db2.gz LEOOISJTRJCKDU-GHMZBOCLSA-N 1 0 380.436 2.869 20 0 GFADRO COCC[N@H+](C)CCNC(=O)N[C@H](C)c1ccc(Br)cc1F ZINC000571798790 564567392 /nfs/dbraw/zinc/56/73/92/564567392.db2.gz WNZSVIWCGCZQHZ-LLVKDONJSA-N 1 0 376.270 2.527 20 0 GFADRO CN(Cc1ccc(Br)c(F)c1)C(=O)c1ccn(CC[NH+](C)C)n1 ZINC000571819321 564568498 /nfs/dbraw/zinc/56/84/98/564568498.db2.gz WAJIGASKPZDIBS-UHFFFAOYSA-N 1 0 383.265 2.619 20 0 GFADRO Cc1ccc(F)c(Br)c1NC(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000455746190 564568694 /nfs/dbraw/zinc/56/86/94/564568694.db2.gz HFTPVJMVEFTTGC-UHFFFAOYSA-N 1 0 388.281 2.817 20 0 GFADRO C[N@H+](CCC(=O)NCCS(=O)(=O)c1ccc(Cl)cc1)C1CCCCC1 ZINC000548715404 564570926 /nfs/dbraw/zinc/57/09/26/564570926.db2.gz ZWXHYGLUCATPNG-UHFFFAOYSA-N 1 0 386.945 2.885 20 0 GFADRO CN([C@H](C[NH3+])C1CC1)S(=O)(=O)Cc1cc(Cl)ccc1Br ZINC000571881148 564570991 /nfs/dbraw/zinc/57/09/91/564570991.db2.gz MDVOILLWTBMGAH-CYBMUJFWSA-N 1 0 381.723 2.601 20 0 GFADRO CC[NH+]1CCC(CNC(=O)N[C@H](CO)c2cccc(Br)c2)CC1 ZINC000519205546 564571995 /nfs/dbraw/zinc/57/19/95/564571995.db2.gz VKZWTCKQHKUHKS-MRXNPFEDSA-N 1 0 384.318 2.514 20 0 GFADRO Brc1ccn2cc(C[NH2+]CCOc3ccc4c(c3)OCO4)nc2c1 ZINC000519236020 564572056 /nfs/dbraw/zinc/57/20/56/564572056.db2.gz JNLRPBJTCHIXFZ-UHFFFAOYSA-N 1 0 390.237 2.994 20 0 GFADRO COc1ccc(C[N@@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)c(Br)c1 ZINC000571925104 564572714 /nfs/dbraw/zinc/57/27/14/564572714.db2.gz VMQXBHZXVYFMIE-HNNXBMFYSA-N 1 0 397.313 2.529 20 0 GFADRO CN1CC[NH2+]C[C@@H]1CNC(=O)c1csc(-c2ccc(Cl)cc2Cl)n1 ZINC000571918128 564572877 /nfs/dbraw/zinc/57/28/77/564572877.db2.gz MDBYLLPZVLYRLF-LLVKDONJSA-N 1 0 385.320 2.750 20 0 GFADRO CCN1CC[NH+](C[C@H](C)CNc2noc3ccc(Br)cc32)CC1 ZINC000571935152 564573581 /nfs/dbraw/zinc/57/35/81/564573581.db2.gz JTNOVLZJNKJWEJ-CYBMUJFWSA-N 1 0 381.318 3.276 20 0 GFADRO Cc1ccc2nc(C[NH2+]C[C@H](O)COc3cccc(Br)c3)cn2c1 ZINC000519386187 564576197 /nfs/dbraw/zinc/57/61/97/564576197.db2.gz FFFBXYCMRIIWGP-INIZCTEOSA-N 1 0 390.281 2.935 20 0 GFADRO CC(C)[NH+]1CCC(NC(=O)Nc2cc(N(C)C)c(Br)cn2)CC1 ZINC000455864621 564576760 /nfs/dbraw/zinc/57/67/60/564576760.db2.gz KPJLIONAIWJYQK-UHFFFAOYSA-N 1 0 384.322 2.904 20 0 GFADRO CN(CCC[N@H+](C)Cc1ccco1)CC(=O)Nc1ccc(Br)cn1 ZINC000519441496 564577762 /nfs/dbraw/zinc/57/77/62/564577762.db2.gz RIPZHMVXKPQZCA-UHFFFAOYSA-N 1 0 395.301 2.830 20 0 GFADRO C[N@H+](CCNS(=O)(=O)c1cccc(Br)c1)C1CCCCC1 ZINC000519486400 564579290 /nfs/dbraw/zinc/57/92/90/564579290.db2.gz YCABYNGNGWNUMF-UHFFFAOYSA-N 1 0 375.332 2.992 20 0 GFADRO COC(=O)[C@H](c1ccc(Cl)c(Cl)c1)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000483990134 564580100 /nfs/dbraw/zinc/58/01/00/564580100.db2.gz WNRZQQFLKLXBTA-LRDDRELGSA-N 1 0 389.323 2.985 20 0 GFADRO CN1CCN(C(=O)Nc2ccc(C(F)(F)F)c(Br)c2)[C@H](C[NH3+])C1 ZINC000519528523 564580125 /nfs/dbraw/zinc/58/01/25/564580125.db2.gz JZALARLYBYHUHM-SNVBAGLBSA-N 1 0 395.223 2.575 20 0 GFADRO C[NH+]1CCC(Oc2ccc(Cl)cc2NC(=O)NC[C@@H](O)C(F)F)CC1 ZINC000455939008 564581006 /nfs/dbraw/zinc/58/10/06/564581006.db2.gz GHUJIZNQKQOPHN-CYBMUJFWSA-N 1 0 377.819 2.561 20 0 GFADRO C[C@H](C[S@@](C)=O)NC(=O)Nc1cc(Cl)ccc1OC1CC[NH+](C)CC1 ZINC000455941600 564581191 /nfs/dbraw/zinc/58/11/91/564581191.db2.gz JLYGGXNQLOJMJA-XELLLNAOSA-N 1 0 387.933 2.702 20 0 GFADRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)N(C)Cc2ccc(Cl)s2)C1 ZINC000484063024 564581518 /nfs/dbraw/zinc/58/15/18/564581518.db2.gz CRLIPUANFYSLBW-CYBMUJFWSA-N 1 0 385.961 2.987 20 0 GFADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)Nc1cc(Cl)cc(Br)c1 ZINC000455968439 564582170 /nfs/dbraw/zinc/58/21/70/564582170.db2.gz JMNWKLAOWQISQY-NSHDSACASA-N 1 0 389.725 2.860 20 0 GFADRO CCN(CCC[NH+](CC)CC)C(=O)c1ccc(I)cn1 ZINC000456020852 564584342 /nfs/dbraw/zinc/58/43/42/564584342.db2.gz HQBWTOAQURCAGG-UHFFFAOYSA-N 1 0 389.281 2.880 20 0 GFADRO CCC[N@H+](CC)C[C@H](C)NC(=O)C(=O)Nc1ccc(Br)cc1F ZINC000572210245 564585020 /nfs/dbraw/zinc/58/50/20/564585020.db2.gz BVFOIXUJWXQQAE-NSHDSACASA-N 1 0 388.281 2.763 20 0 GFADRO COc1cc(Br)ccc1CCCNC(=O)N1CCC[C@H](C[NH3+])C1 ZINC000572262330 564587265 /nfs/dbraw/zinc/58/72/65/564587265.db2.gz LSHZLDDDFWQSKQ-CYBMUJFWSA-N 1 0 384.318 2.771 20 0 GFADRO C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)NCCC[N@H+](C)CCN(C)C ZINC000572296645 564589050 /nfs/dbraw/zinc/58/90/50/564589050.db2.gz NCLXTSNKZWTLLJ-CYBMUJFWSA-N 1 0 376.328 2.760 20 0 GFADRO C[C@H](CNC(=O)N1CCC(CC[NH3+])CC1)Oc1ccccc1Br ZINC000519759964 564589815 /nfs/dbraw/zinc/58/98/15/564589815.db2.gz POYBBDDHWXTTBC-CYBMUJFWSA-N 1 0 384.318 2.987 20 0 GFADRO CC[N@H+](C)[C@H](C(=O)NCCCn1cc(Br)cn1)c1ccccc1 ZINC000519817315 564592333 /nfs/dbraw/zinc/59/23/33/564592333.db2.gz PHRQFAJKMVUKCB-INIZCTEOSA-N 1 0 379.302 2.845 20 0 GFADRO CCc1csc(NC(=O)C(=O)N[C@@H](C[NH+](C)C)c2ccc(Cl)cc2)n1 ZINC000549388034 564593801 /nfs/dbraw/zinc/59/38/01/564593801.db2.gz AMJCUUBFAXXQJY-AWEZNQCLSA-N 1 0 380.901 2.717 20 0 GFADRO O=C(CNC(=O)Nc1ccccc1Br)NCC[NH+]1CCCCCC1 ZINC000572438829 564594422 /nfs/dbraw/zinc/59/44/22/564594422.db2.gz ZCZSHHONLGAVHW-UHFFFAOYSA-N 1 0 397.317 2.563 20 0 GFADRO CN(Cc1c(F)cccc1Cl)S(=O)(=O)N1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000572468299 564596032 /nfs/dbraw/zinc/59/60/32/564596032.db2.gz LBRXZCGWDDFDMF-IAGOWNOFSA-N 1 0 389.924 2.762 20 0 GFADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000520008045 564596296 /nfs/dbraw/zinc/59/62/96/564596296.db2.gz RASRJYMHLNHKMI-JTQLQIEISA-N 1 0 377.819 2.726 20 0 GFADRO C[C@@H]1C[C@H](C)N(C(=O)c2cc(=O)c3cc(Br)ccc3[nH]2)C[C@H]1C[NH3+] ZINC000572474430 564596400 /nfs/dbraw/zinc/59/64/00/564596400.db2.gz SHCRPJANAFRNBK-GRYCIOLGSA-N 1 0 392.297 2.736 20 0 GFADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)NCCCCC[NH+]2CCCC2)c1 ZINC000549524355 564596951 /nfs/dbraw/zinc/59/69/51/564596951.db2.gz LEGWFBGCTWDLLI-UHFFFAOYSA-N 1 0 388.917 2.671 20 0 GFADRO O=C(NC[C@@H]1CCC[NH2+]1)N1CCC(Nc2cccc(Br)c2)CC1 ZINC000572500206 564597955 /nfs/dbraw/zinc/59/79/55/564597955.db2.gz LWWNQQFVJZIHRA-INIZCTEOSA-N 1 0 381.318 2.787 20 0 GFADRO Cc1ccc(Br)c(NC(=O)C(=O)NCC(C)(C)C[NH+]2CCCC2)c1 ZINC000484840977 564600293 /nfs/dbraw/zinc/60/02/93/564600293.db2.gz XYIPQJJCZFPWNV-UHFFFAOYSA-N 1 0 396.329 2.934 20 0 GFADRO C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)Nc2cccc(Br)c2Cl)C1 ZINC000549717165 564603214 /nfs/dbraw/zinc/60/32/14/564603214.db2.gz QJQUNSASUACWHF-SNVBAGLBSA-N 1 0 388.693 2.594 20 0 GFADRO Cc1cc(Br)cn2cc(CCNC(=O)CCCC[NH+](C)C)nc12 ZINC000572648079 564603557 /nfs/dbraw/zinc/60/35/57/564603557.db2.gz NDYCNPVAPMOBCT-UHFFFAOYSA-N 1 0 381.318 2.796 20 0 GFADRO Cc1cc(C(C)(C)[NH2+]C[C@@H]2CCN(S(C)(=O)=O)C2)ccc1Br ZINC000572650829 564604110 /nfs/dbraw/zinc/60/41/10/564604110.db2.gz ZHIZJEMJLVHABL-ZDUSSCGKSA-N 1 0 389.359 2.864 20 0 GFADRO CC[C@H](C)[N@H+](C)CCNS(=O)(=O)c1cc(Br)c(F)cc1OC ZINC000520429076 564604374 /nfs/dbraw/zinc/60/43/74/564604374.db2.gz IWPGIBYFKFIMEQ-JTQLQIEISA-N 1 0 397.310 2.605 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H](CNC(=O)c2ccc(F)cc2I)C1 ZINC000520567497 564608406 /nfs/dbraw/zinc/60/84/06/564608406.db2.gz JPRZRDRCSUCFMC-MWLCHTKSSA-N 1 0 376.213 2.678 20 0 GFADRO O=S(=O)(Cc1cccc(Br)c1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000520582095 564608528 /nfs/dbraw/zinc/60/85/28/564608528.db2.gz NNQUVTCFHBZKOV-HNNXBMFYSA-N 1 0 387.343 2.600 20 0 GFADRO CC(C)[NH+]1CCC(NC(=O)C(=O)N[C@H](C)c2ccc(Br)cc2)CC1 ZINC000549985587 564611843 /nfs/dbraw/zinc/61/18/43/564611843.db2.gz WDFYMDKLWYKVTJ-CYBMUJFWSA-N 1 0 396.329 2.615 20 0 GFADRO CN(Cc1ccccc1Br)C(=O)C[NH2+][C@H](C1CC1)C(C)(C)CO ZINC000550102257 564614641 /nfs/dbraw/zinc/61/46/41/564614641.db2.gz JJXCBCHTZHFMLF-QGZVFWFLSA-N 1 0 383.330 2.794 20 0 GFADRO CO[C@@H]1[C@H](C)[C@H]([NH2+]Cc2cc(=O)n3cc(Br)ccc3n2)C1(C)C ZINC000520969139 564616767 /nfs/dbraw/zinc/61/67/67/564616767.db2.gz ADNPWBSJFRABCD-HPEXNQPKSA-N 1 0 380.286 2.606 20 0 GFADRO CO[C@H]1CCN(C(=O)CCCc2ccc(Br)s2)[C@H](C[NH3+])C1 ZINC000572952345 564617590 /nfs/dbraw/zinc/61/75/90/564617590.db2.gz HNUZQLMHHMNBBK-RYUDHWBXSA-N 1 0 375.332 2.798 20 0 GFADRO O=C(NCCC1=CC[NH2+]CC1)Nc1ccc(I)cc1F ZINC000572976506 564618395 /nfs/dbraw/zinc/61/83/95/564618395.db2.gz QLMVTYNPYQPXFC-UHFFFAOYSA-N 1 0 389.212 2.862 20 0 GFADRO COC(=O)CC1([NH2+]Cc2cc(Br)cc(F)c2F)CCOCC1 ZINC000573004030 564618723 /nfs/dbraw/zinc/61/87/23/564618723.db2.gz KKHILBRCRRQURL-UHFFFAOYSA-N 1 0 378.213 2.929 20 0 GFADRO C[NH+](C)CCn1nccc1NC(=O)c1ccc(Br)c2c1OCCC2 ZINC000521099118 564618817 /nfs/dbraw/zinc/61/88/17/564618817.db2.gz UUSWXYMUBCDAFM-UHFFFAOYSA-N 1 0 393.285 2.785 20 0 GFADRO C[C@H](CNC(=O)N1CC[C@]2(CC[NH2+]C2)C1)Oc1ccccc1Br ZINC000521216783 564621535 /nfs/dbraw/zinc/62/15/35/564621535.db2.gz HUQYNBZDQGXYNL-DYVFJYSZSA-N 1 0 382.302 2.611 20 0 GFADRO C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)N(C)Cc2c(Cl)cccc2Cl)C1 ZINC000573099060 564622332 /nfs/dbraw/zinc/62/23/32/564622332.db2.gz ZDARNGUNGILMLA-CYBMUJFWSA-N 1 0 386.323 2.800 20 0 GFADRO CCS[C@@H]1CC[C@H](N(C)C(=O)C(=O)NC[C@H](c2cccs2)[NH+](C)C)C1 ZINC000550379722 564622670 /nfs/dbraw/zinc/62/26/70/564622670.db2.gz ZWYNIBXSDBZMHC-RRFJBIMHSA-N 1 0 383.583 2.600 20 0 GFADRO COC(=O)C[C@@H]1CSCC[N@@H+]1CCC(=O)Nc1ccc(OC)c(Cl)c1 ZINC000485681678 564622775 /nfs/dbraw/zinc/62/27/75/564622775.db2.gz XNQLVIGENDJYOS-CYBMUJFWSA-N 1 0 386.901 2.658 20 0 GFADRO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000573112512 564623228 /nfs/dbraw/zinc/62/32/28/564623228.db2.gz CGYYOPLMNLQZFX-HOTGVXAUSA-N 1 0 384.307 2.695 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)S(=O)(=O)Cc1cccc(Cl)c1 ZINC000550434166 564623938 /nfs/dbraw/zinc/62/39/38/564623938.db2.gz PCABNJTZVXHBKA-GOSISDBHSA-N 1 0 387.977 2.518 20 0 GFADRO CN([C@@H]1CCN(C2CC2)C1)S(=O)(=O)c1ccc(Br)cc1Cl ZINC000521376854 564625294 /nfs/dbraw/zinc/62/52/94/564625294.db2.gz PKALHVFGZCSWLA-GFCCVEGCSA-N 1 0 393.734 2.960 20 0 GFADRO COc1ccc(C(=O)N2CC[N@@H+](C3CCOCC3)C[C@H]2C)c(Br)c1 ZINC000573177832 564626303 /nfs/dbraw/zinc/62/63/03/564626303.db2.gz VHSLLHSVSHUFAM-CYBMUJFWSA-N 1 0 397.313 2.783 20 0 GFADRO C[NH+](C)C(C)(C)CNC(=O)C(=O)Nc1cc(Cl)ccc1OC(F)(F)F ZINC000550592553 564626887 /nfs/dbraw/zinc/62/68/87/564626887.db2.gz CIFXQPUYOOZVFO-UHFFFAOYSA-N 1 0 381.782 2.634 20 0 GFADRO COC(=O)C[C@H]([NH2+]Cc1cc(Cl)cc(S(N)(=O)=O)c1)C1CCCCC1 ZINC000573210877 564628139 /nfs/dbraw/zinc/62/81/39/564628139.db2.gz ZWUNUNIPJDSGCA-INIZCTEOSA-N 1 0 388.917 2.589 20 0 GFADRO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NC[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000485859072 564628182 /nfs/dbraw/zinc/62/81/82/564628182.db2.gz LWJDHWDLYDGNAV-KEYYUXOJSA-N 1 0 380.330 2.589 20 0 GFADRO CC[C@@H]([NH2+]CCCS(=O)(=O)N(C)C)c1cc(F)cc(Br)c1 ZINC000485850798 564628502 /nfs/dbraw/zinc/62/85/02/564628502.db2.gz OHOGLFSJQUVDPW-CQSZACIVSA-N 1 0 381.311 2.910 20 0 GFADRO CS(=O)(=O)CC1CCC([NH2+]CCCCn2cc(Br)cn2)CC1 ZINC000550795679 564631436 /nfs/dbraw/zinc/63/14/36/564631436.db2.gz JOSMSWNPPBCDAE-UHFFFAOYSA-N 1 0 392.363 2.619 20 0 GFADRO CO[C@@H]1CCN(C(=O)N[C@H]2C[C@H](c3ccc(Br)cc3)C2)[C@H](C[NH3+])C1 ZINC000573309213 564633183 /nfs/dbraw/zinc/63/31/83/564633183.db2.gz UMRBOMDRZOUBKS-QSPRXWTASA-N 1 0 396.329 2.843 20 0 GFADRO CCC[C@@H](C)[C@@H](CO)[NH2+]CC(=O)Nc1cccc(I)c1 ZINC000573328685 564633754 /nfs/dbraw/zinc/63/37/54/564633754.db2.gz VBBFOBMGZRUPQJ-BXUZGUMPSA-N 1 0 390.265 2.616 20 0 GFADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@H]1CCN(Cc2ccccc2)C1 ZINC000550892868 564634543 /nfs/dbraw/zinc/63/45/43/564634543.db2.gz UFWOVFVETMMZSU-QAPCUYQASA-N 1 0 390.325 2.863 20 0 GFADRO CC(C)[NH2+]CCCNC(=O)C(=O)N1CCC[C@H]1c1ccc(Br)cc1 ZINC000521844898 564636559 /nfs/dbraw/zinc/63/65/59/564636559.db2.gz ZNZJXQGXYVSWSS-INIZCTEOSA-N 1 0 396.329 2.617 20 0 GFADRO CC[NH+]1CCN(CC(C)(C)NC(=O)c2ccc(C)c(Br)c2)CC1 ZINC000456900711 564637699 /nfs/dbraw/zinc/63/76/99/564637699.db2.gz OJWVXADJEJGRDA-UHFFFAOYSA-N 1 0 382.346 2.903 20 0 GFADRO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCC1(c2ccc(Br)cc2)CCOCC1 ZINC000486088372 564638573 /nfs/dbraw/zinc/63/85/73/564638573.db2.gz RKZDQUJOFNUKEC-RHSMWYFYSA-N 1 0 395.341 2.811 20 0 GFADRO C[NH+]1CCC(CCO)(NCc2cnn(-c3ccc(Br)cc3)c2)CC1 ZINC000521899177 564638969 /nfs/dbraw/zinc/63/89/69/564638969.db2.gz MMKLXNCHFSKDJD-UHFFFAOYSA-N 1 0 393.329 2.571 20 0 GFADRO CC[NH+]1CCN(CC(C)(C)NC(=O)c2ccc(Br)c(C)c2)CC1 ZINC000456909537 564638948 /nfs/dbraw/zinc/63/89/48/564638948.db2.gz ZEYICQTYFPIWDR-UHFFFAOYSA-N 1 0 382.346 2.903 20 0 GFADRO O=C(NC[C@H]1C[NH2+]CCCO1)Nc1ccc(Br)c(C(F)(F)F)c1 ZINC000573460786 564639499 /nfs/dbraw/zinc/63/94/99/564639499.db2.gz ZKJJCDXOTDHSME-SNVBAGLBSA-N 1 0 396.207 2.968 20 0 GFADRO Cc1sc(NC(=O)CN2C[C@H]3C[NH2+]C[C@H]3C2)nc1-c1ccc(Cl)cc1 ZINC000573490105 564640121 /nfs/dbraw/zinc/64/01/21/564640121.db2.gz JXBTXYWELTYEJP-OKILXGFUSA-N 1 0 376.913 2.862 20 0 GFADRO C[C@@H]1CN(CCC[NH2+]Cc2cccc(I)c2)C[C@H](C)O1 ZINC000551219935 564642699 /nfs/dbraw/zinc/64/26/99/564642699.db2.gz BBJPEEHZFHKLSB-OKILXGFUSA-N 1 0 388.293 2.880 20 0 GFADRO CN(C(=O)NCCOc1cccc(Br)c1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000522078855 564643729 /nfs/dbraw/zinc/64/37/29/564643729.db2.gz XUGIQEHKGLVHNE-OAHLLOKOSA-N 1 0 382.302 2.706 20 0 GFADRO CC(C)(C[NH+]1CCCC1)NC(=O)c1cc(Br)c2c(c1)OCCO2 ZINC000457049578 564644168 /nfs/dbraw/zinc/64/41/68/564644168.db2.gz KFTCQRMWCGNFSQ-UHFFFAOYSA-N 1 0 383.286 2.825 20 0 GFADRO C[NH+](C)CCOC1CCN(C(=O)C(=O)Nc2cccc(Cl)c2Cl)CC1 ZINC000522111869 564644289 /nfs/dbraw/zinc/64/42/89/564644289.db2.gz YQLPIUCJCXVBQG-UHFFFAOYSA-N 1 0 388.295 2.501 20 0 GFADRO O=C1CC[C@@H]([NH2+]Cc2cn(-c3ccc(Cl)cc3Cl)nn2)[C@H](C2CC2)N1 ZINC000551270280 564644932 /nfs/dbraw/zinc/64/49/32/564644932.db2.gz FQCMJBIHBXEGKK-PBHICJAKSA-N 1 0 380.279 2.721 20 0 GFADRO CC1(C)CCC[N@@H+]1CCNC(=O)c1ccc(I)c(O)c1 ZINC000457066322 564644965 /nfs/dbraw/zinc/64/49/65/564644965.db2.gz YMWJGOYGCXLHFK-UHFFFAOYSA-N 1 0 388.249 2.601 20 0 GFADRO C[C@H](NC(=O)NCc1n[nH]cc1Br)[C@H](c1ccccc1)[NH+](C)C ZINC000573589340 564645394 /nfs/dbraw/zinc/64/53/94/564645394.db2.gz BNGQSMLBMRIXQI-XHDPSFHLSA-N 1 0 380.290 2.663 20 0 GFADRO C[C@H]1[NH2+]CC[C@H]1C(=O)Nc1ccc(CCn2cc(Br)cn2)cc1 ZINC000573718887 564650506 /nfs/dbraw/zinc/65/05/06/564650506.db2.gz HRIQUSCEFNSSSZ-MLGOLLRUSA-N 1 0 377.286 2.825 20 0 GFADRO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)Nc1ccc(Br)c(C(F)(F)F)c1 ZINC000573723730 564651575 /nfs/dbraw/zinc/65/15/75/564651575.db2.gz YPRHZERVRHCCDO-JGVFFNPUSA-N 1 0 396.207 2.648 20 0 GFADRO COc1ccc(Br)cc1C(=O)CCC(=O)NC(C)(C)C[NH+](C)C ZINC000457219825 564652445 /nfs/dbraw/zinc/65/24/45/564652445.db2.gz KUACZNRNRPIRMH-UHFFFAOYSA-N 1 0 385.302 2.877 20 0 GFADRO C[C@](O)(C[NH2+]Cc1cnc(-c2ccc(Cl)cc2)s1)CN1CCOCC1 ZINC000551536704 564653498 /nfs/dbraw/zinc/65/34/98/564653498.db2.gz QNARMERNHQBLJF-SFHVURJKSA-N 1 0 381.929 2.636 20 0 GFADRO Cc1nn(C(C)C)c(C)c1S(=O)(=O)N(CC[NH+](C)C)Cc1ccsc1 ZINC000573785290 564654060 /nfs/dbraw/zinc/65/40/60/564654060.db2.gz XTRXUPUOKHENHI-UHFFFAOYSA-N 1 0 384.571 2.895 20 0 GFADRO CCN(Cc1ccc(C(=O)OC)cc1Br)C[C@H](O)C(F)(F)F ZINC000551558622 564655123 /nfs/dbraw/zinc/65/51/23/564655123.db2.gz IXKKPHVJQJMCRP-LBPRGKRZSA-N 1 0 384.192 2.981 20 0 GFADRO Cc1nsc(C)c1CN1CCN(Cc2c(C)nsc2C)[C@@H](CCO)C1 ZINC000573860544 564656685 /nfs/dbraw/zinc/65/66/85/564656685.db2.gz XGPZLQMIAOTQGU-INIZCTEOSA-N 1 0 380.583 2.902 20 0 GFADRO COCC[C@H](Cc1cccc(Br)c1)C(=O)N1CCC[C@@H]([NH3+])[C@H]1C ZINC000457357270 564658803 /nfs/dbraw/zinc/65/88/03/564658803.db2.gz JQMHBARKLXUENR-FRFSOERESA-N 1 0 383.330 2.983 20 0 GFADRO O=C(NC[C@@H]1CCCC[N@H+]1CCO)c1cc2c(Br)cccc2cn1 ZINC000573913539 564660048 /nfs/dbraw/zinc/66/00/48/564660048.db2.gz KMVCFIOUTTVMEK-AWEZNQCLSA-N 1 0 392.297 2.574 20 0 GFADRO C[N@@H+]1CC[C@H]2CCN(S(=O)(=O)c3ccc(Br)cc3Cl)[C@@H]2C1 ZINC000486670808 564662323 /nfs/dbraw/zinc/66/23/23/564662323.db2.gz MJYZNVQTCHAPME-GXFFZTMASA-N 1 0 393.734 2.817 20 0 GFADRO O=C(NCc1cn2cc(Br)ccc2n1)C1C[NH+](C2CCCCC2)C1 ZINC000457478084 564662736 /nfs/dbraw/zinc/66/27/36/564662736.db2.gz BOHMHCCHZMWIJO-UHFFFAOYSA-N 1 0 391.313 2.978 20 0 GFADRO CSCC[C@@H](NC(=O)c1ccccc1Cl)C(=O)NCC[N@H+](C)C(C)C ZINC000523205156 564663065 /nfs/dbraw/zinc/66/30/65/564663065.db2.gz OKSKAWAJYSTZCC-MRXNPFEDSA-N 1 0 385.961 2.648 20 0 GFADRO COc1ncc([C@@H](C)[NH2+]CCN(C)S(=O)(=O)c2cccs2)cc1Cl ZINC000551791050 564663554 /nfs/dbraw/zinc/66/35/54/564663554.db2.gz LKMBLEUWTKPQPR-LLVKDONJSA-N 1 0 389.930 2.776 20 0 GFADRO CCN1CC[C@@H]([NH2+]Cc2cc(C(F)(F)F)cc(S(C)(=O)=O)c2)[C@H](C)C1 ZINC000551781204 564663707 /nfs/dbraw/zinc/66/37/07/564663707.db2.gz QMLZOFVHQCYSMX-MLGOLLRUSA-N 1 0 378.460 2.929 20 0 GFADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)c2sc(C)cc2Br)CC1 ZINC000457566160 564665516 /nfs/dbraw/zinc/66/55/16/564665516.db2.gz XTUHZXAOUCMYJS-LBPRGKRZSA-N 1 0 388.375 2.822 20 0 GFADRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)[C@H](c1ccc(Br)cc1)N1CCCC1 ZINC000574038722 564665511 /nfs/dbraw/zinc/66/55/11/564665511.db2.gz MGFIAPPIHFMVHH-XYPHTWIQSA-N 1 0 380.330 2.700 20 0 GFADRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)NCc2n[nH]cc2Br)C1 ZINC000523384037 564665574 /nfs/dbraw/zinc/66/55/74/564665574.db2.gz IQNMKANPIMCUNA-VXGBXAGGSA-N 1 0 386.338 2.728 20 0 GFADRO CNC(=O)[C@@H]([NH2+]Cc1cc(Br)c(OC(F)F)c(OC)c1)C(C)C ZINC000486801824 564667041 /nfs/dbraw/zinc/66/70/41/564667041.db2.gz NSRLNJYKDHAWTR-LBPRGKRZSA-N 1 0 395.244 2.919 20 0 GFADRO Brc1ccccc1-n1cc(CN[C@@H]2CC[N@@H+]3CCCC[C@@H]23)nn1 ZINC000574123903 564669589 /nfs/dbraw/zinc/66/95/89/564669589.db2.gz XWIOLJRBKVLXEG-WBVHZDCISA-N 1 0 376.302 2.746 20 0 GFADRO CNS(=O)(=O)CCC[N@H+](CCOC)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000523857979 564673967 /nfs/dbraw/zinc/67/39/67/564673967.db2.gz MPDREQWNWHALBZ-CYBMUJFWSA-N 1 0 382.448 2.654 20 0 GFADRO C[C@@H]([NH2+]Cc1ccc(C[S@@](C)=O)cc1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000552074121 564675794 /nfs/dbraw/zinc/67/57/94/564675794.db2.gz BKIISVHEIPCDGO-YEBMWUKDSA-N 1 0 383.510 2.959 20 0 GFADRO CCn1cc([C@H](C)[NH2+]CCNS(=O)(=O)c2cccc(Cl)c2Cl)cn1 ZINC000552089800 564676345 /nfs/dbraw/zinc/67/63/45/564676345.db2.gz WFUFJHSCOUKNEJ-NSHDSACASA-N 1 0 391.324 2.839 20 0 GFADRO CC1(C)CCC[C@]1(O)CNC(=O)NCc1cn2cc(Br)ccc2n1 ZINC000457920732 564679816 /nfs/dbraw/zinc/67/98/16/564679816.db2.gz UDGGJSLVYROYKP-KRWDZBQOSA-N 1 0 395.301 2.837 20 0 GFADRO CN(CC1([NH+](C)C)CCC1)C(=O)CCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000552183791 564680829 /nfs/dbraw/zinc/68/08/29/564680829.db2.gz WFJVKSWZZXICBM-UHFFFAOYSA-N 1 0 386.945 2.837 20 0 GFADRO CCC[C@]1(CO)CC[N@H+](CC(=O)N(C)Cc2ccccc2Br)C1 ZINC000574602279 564681193 /nfs/dbraw/zinc/68/11/93/564681193.db2.gz XOJJDPHCYZIDCF-SFHVURJKSA-N 1 0 383.330 2.892 20 0 GFADRO C[NH+](C)CCOc1ccccc1CNS(=O)(=O)Cc1ccccc1Cl ZINC000524410732 564681314 /nfs/dbraw/zinc/68/13/14/564681314.db2.gz RJWKEJVWWPVHKI-UHFFFAOYSA-N 1 0 382.913 2.900 20 0 GFADRO C[C@H](NC(=O)C(=O)NCCc1cc(Cl)cc(Cl)c1)C(C)(C)C[NH+](C)C ZINC000552195232 564681781 /nfs/dbraw/zinc/68/17/81/564681781.db2.gz FCABJRISXBWWIU-LBPRGKRZSA-N 1 0 388.339 2.745 20 0 GFADRO Cn1c(SCC(=O)NCC[N@H+](C)C2CCCC2)nnc1-c1cccs1 ZINC000552195734 564682025 /nfs/dbraw/zinc/68/20/25/564682025.db2.gz ZIFWIJINQOEVJV-UHFFFAOYSA-N 1 0 379.555 2.626 20 0 GFADRO C[N@@H+]1CCC[C@@H](CNC(=O)Cn2cc(Br)cn2)[C@H]1c1cccs1 ZINC000524645172 564684251 /nfs/dbraw/zinc/68/42/51/564684251.db2.gz HQCHBAXEMMEIJE-LRDDRELGSA-N 1 0 397.342 2.906 20 0 GFADRO C[N@H+](CCOc1ccc(S(N)(=O)=O)cc1)Cc1cnc(C2CCC2)s1 ZINC000552293138 564684447 /nfs/dbraw/zinc/68/44/47/564684447.db2.gz RSHFESUZGVHFFZ-UHFFFAOYSA-N 1 0 381.523 2.569 20 0 GFADRO Cc1ccc(Br)c(S(=O)(=O)NCC[NH2+][C@@H]2CCC2(C)C)c1 ZINC000552319194 564686017 /nfs/dbraw/zinc/68/60/17/564686017.db2.gz GTFDKDDYKFTFLG-CQSZACIVSA-N 1 0 375.332 2.814 20 0 GFADRO C[C@@H]1CC[N@H+](CCNC(=O)C2CCN(C(=O)c3ccc(Cl)s3)CC2)C1 ZINC000524719993 564686481 /nfs/dbraw/zinc/68/64/81/564686481.db2.gz SZKJAFOQTKWWKE-CYBMUJFWSA-N 1 0 383.945 2.712 20 0 GFADRO CN1C(=O)C[C@H](C(=O)NC[C@H]2CCC[N@@H+]2C)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000574737999 564687394 /nfs/dbraw/zinc/68/73/94/564687394.db2.gz ZCAHZAHSIGUKOP-IGCXYCKISA-N 1 0 384.307 2.723 20 0 GFADRO C[N@H+](CCNC(=O)N(CCO)Cc1cccc(Br)c1)C1CCCC1 ZINC000487465403 564688808 /nfs/dbraw/zinc/68/88/08/564688808.db2.gz IHIXJTBPFVTKJX-UHFFFAOYSA-N 1 0 398.345 2.827 20 0 GFADRO COc1cc(CNC(=O)NC(C)(C)C[NH+](C)C)cc(Br)c1OC ZINC000458124224 564688940 /nfs/dbraw/zinc/68/89/40/564688940.db2.gz CPCWCFDUEXFUTA-UHFFFAOYSA-N 1 0 388.306 2.606 20 0 GFADRO CCC[C@H](C(=O)NC[C@@H](CO)Cc1cc(F)cc(Br)c1)[NH+](C)C ZINC000458149486 564691297 /nfs/dbraw/zinc/69/12/97/564691297.db2.gz PGWMSWANUNYRDT-XJKSGUPXSA-N 1 0 389.309 2.586 20 0 GFADRO CC(C)C[C@@H](Cc1cccc(Br)c1)C(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000552439378 564691596 /nfs/dbraw/zinc/69/15/96/564691596.db2.gz JJGVBNLXNIEEAA-SZMVWBNQSA-N 1 0 397.357 2.787 20 0 GFADRO C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000458157978 564691818 /nfs/dbraw/zinc/69/18/18/564691818.db2.gz CWNYAGROOKSOTG-QWHCGFSZSA-N 1 0 386.323 2.960 20 0 GFADRO CN(CC[NH+]1CCCC1)C(=O)c1cc(F)ccc1I ZINC000487593914 564692062 /nfs/dbraw/zinc/69/20/62/564692062.db2.gz TXPLIGSMAXSNRL-UHFFFAOYSA-N 1 0 376.213 2.598 20 0 GFADRO C[N@@H+]1CCC[C@H](CCNC(=O)c2cc(F)ccc2I)C1 ZINC000458179987 564692929 /nfs/dbraw/zinc/69/29/29/564692929.db2.gz YBXFDFCROQTRJY-LLVKDONJSA-N 1 0 390.240 2.892 20 0 GFADRO Cc1cc(NC(=O)Cn2cc(Br)cn2)ccc1OCC[NH+](C)C ZINC000458203425 564693306 /nfs/dbraw/zinc/69/33/06/564693306.db2.gz WKNUINBCJUFFGG-UHFFFAOYSA-N 1 0 381.274 2.533 20 0 GFADRO CO[C@@H]1CCN(C(=O)c2cc(C)nc3cc(Br)ccc32)[C@H](C[NH3+])C1 ZINC000575184934 564693328 /nfs/dbraw/zinc/69/33/28/564693328.db2.gz HLHJBLAUGUTNDK-UONOGXRCSA-N 1 0 392.297 2.884 20 0 GFADRO C[NH+](C)CCN(Cc1ccsc1)C(=O)c1ccc2c(c1)NC(=O)CS2 ZINC000458198903 564693642 /nfs/dbraw/zinc/69/36/42/564693642.db2.gz IGZZBSJPPQQCQQ-UHFFFAOYSA-N 1 0 375.519 2.996 20 0 GFADRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)c1ccc(Cl)c(NS(C)(=O)=O)c1 ZINC000525164697 564694151 /nfs/dbraw/zinc/69/41/51/564694151.db2.gz LTWHIJOMSBOFCS-CQSZACIVSA-N 1 0 387.933 2.658 20 0 GFADRO CCC[N@H+](CC)C[C@@H](C)NS(=O)(=O)c1cc(OC)ccc1Br ZINC000575370595 564697508 /nfs/dbraw/zinc/69/75/08/564697508.db2.gz BDHMLNISDKTCAL-GFCCVEGCSA-N 1 0 393.347 2.856 20 0 GFADRO C[NH+](C)CC(C)(C)NC(=O)N[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000458285034 564697478 /nfs/dbraw/zinc/69/74/78/564697478.db2.gz RXYPEPKGPSNAJL-CQSZACIVSA-N 1 0 383.334 2.667 20 0 GFADRO C[C@H]1CC[N@H+](CCNC(=O)c2ccc(-n3cc(Br)cn3)cc2)C1 ZINC000525291763 564697498 /nfs/dbraw/zinc/69/74/98/564697498.db2.gz NUWJGULLOITURB-ZDUSSCGKSA-N 1 0 377.286 2.706 20 0 GFADRO COc1ccc(Br)c(C(=O)NCCC[NH2+][C@@H]2CCCOCC2)c1 ZINC000552730159 564699420 /nfs/dbraw/zinc/69/94/20/564699420.db2.gz XBMCFRSQRTXYRI-CYBMUJFWSA-N 1 0 385.302 2.736 20 0 GFADRO O=C(N[C@H]1CC[N@@H+](C2CC2)C1)N1CCC[C@@H]1c1ccc(Br)cn1 ZINC000458416269 564700559 /nfs/dbraw/zinc/70/05/59/564700559.db2.gz OYNRLNQCNRFOBZ-XJKSGUPXSA-N 1 0 379.302 2.927 20 0 GFADRO CC[S@](=O)[C@H]1CCC[C@@H](NC(=O)N(CC[NH+](C)C)Cc2ccsc2)C1 ZINC000458479610 564703301 /nfs/dbraw/zinc/70/33/01/564703301.db2.gz BOFKAMPVNREWTA-YPBQGGFRSA-N 1 0 385.599 2.901 20 0 GFADRO C[C@@H]([NH2+]C[C@@H]1CS(=O)(=O)CCO1)c1ccc(SCC(F)(F)F)cc1 ZINC000552930069 564704187 /nfs/dbraw/zinc/70/41/87/564704187.db2.gz MIMUQBVSINQHBT-DGCLKSJQSA-N 1 0 383.457 2.805 20 0 GFADRO Cc1cc(C(=O)NC[C@H](C)C[NH+](C)C)nn1-c1ccc(Br)cc1 ZINC000552886386 564704493 /nfs/dbraw/zinc/70/44/93/564704493.db2.gz FEJPKUFBFICTIP-LBPRGKRZSA-N 1 0 379.302 2.871 20 0 GFADRO C[C@H]1C[C@@H]1C[NH+]1CCN(C(=O)c2ccccc2I)CC1 ZINC000488313213 564709151 /nfs/dbraw/zinc/70/91/51/564709151.db2.gz LKCJBWHJMXPOON-QWHCGFSZSA-N 1 0 384.261 2.705 20 0 GFADRO CC[C@H]1[C@H](CO)CCN1C(=O)NCc1cn2cc(Br)cc(C)c2n1 ZINC000458645230 564709917 /nfs/dbraw/zinc/70/99/17/564709917.db2.gz FYDRWLPCNZTZQT-WFASDCNBSA-N 1 0 395.301 2.708 20 0 GFADRO C[N@@H+]1CC[C@@]2(CCN(C(=O)NCCc3ccc(F)c(Br)c3)C2)C1 ZINC000488420825 564711114 /nfs/dbraw/zinc/71/11/14/564711114.db2.gz MJDXOOMHMZGQJL-QGZVFWFLSA-N 1 0 384.293 2.868 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+][C@@H](CO)[C@@H]1CCCOC1 ZINC000576287295 564712251 /nfs/dbraw/zinc/71/22/51/564712251.db2.gz IHCLMXRTPMKIHT-KDOFPFPSSA-N 1 0 394.313 2.820 20 0 GFADRO C[C@@H](NC(=O)NC[C@H]1CCCC[N@@H+]1CCO)c1ccc(Br)s1 ZINC000458696793 564712526 /nfs/dbraw/zinc/71/25/26/564712526.db2.gz UJKFWJSSWMGWPB-VXGBXAGGSA-N 1 0 390.347 2.718 20 0 GFADRO CCC[NH+]1CCC(CNS(=O)(=O)Cc2ccccc2Br)CC1 ZINC000576496955 564714344 /nfs/dbraw/zinc/71/43/44/564714344.db2.gz GJCFQXUJRJLFKS-UHFFFAOYSA-N 1 0 389.359 2.991 20 0 GFADRO CC(=O)NCCN(Cc1ccc(Cl)cc1Cl)C(=O)[C@H]1C[N@@H+](C)C[C@H]1C ZINC000488578020 564714649 /nfs/dbraw/zinc/71/46/49/564714649.db2.gz FPCXUKDOWDIVPN-WBMJQRKESA-N 1 0 386.323 2.656 20 0 GFADRO O=C(NCCc1csc(-c2ccc(Cl)cc2)n1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000576611544 564716361 /nfs/dbraw/zinc/71/63/61/564716361.db2.gz HOLUCGDDLFBRHP-OKILXGFUSA-N 1 0 376.913 2.867 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+]C2(c3ccccc3)CCOCC2)cc1Cl ZINC000576607247 564716550 /nfs/dbraw/zinc/71/65/50/564716550.db2.gz WUVXFLGHONVQBC-UHFFFAOYSA-N 1 0 380.897 2.783 20 0 GFADRO C[N@@H+]1CCC[C@@]2(CCN(S(=O)(=O)c3ccc(Br)cc3F)C2)C1 ZINC000576602174 564716755 /nfs/dbraw/zinc/71/67/55/564716755.db2.gz XPXRENYEQFHYOG-OAHLLOKOSA-N 1 0 391.306 2.695 20 0 GFADRO CC[N@H+](CCNC(=O)N[C@@H](CO)c1ccc(Br)c(F)c1)C(C)C ZINC000488668302 564717433 /nfs/dbraw/zinc/71/74/33/564717433.db2.gz SFRFTZCACZEYLA-HNNXBMFYSA-N 1 0 390.297 2.651 20 0 GFADRO C[N@@H+](CCC(=O)N1CCCc2ccccc21)CCn1cc(Br)cn1 ZINC000576668225 564717504 /nfs/dbraw/zinc/71/75/04/564717504.db2.gz ICKVFVTXQNULRI-UHFFFAOYSA-N 1 0 391.313 2.947 20 0 GFADRO CC[N@H+](CCOC)[C@@H](C)C(=O)Nc1cccc(I)c1 ZINC000488722402 564718377 /nfs/dbraw/zinc/71/83/77/564718377.db2.gz GTDZUIYLLUYHGT-NSHDSACASA-N 1 0 376.238 2.587 20 0 GFADRO CO[C@@H]1[C@@H](C)[C@H]([NH2+]CCS(=O)(=O)c2ccc(Br)cc2)C1(C)C ZINC000553421754 564719730 /nfs/dbraw/zinc/71/97/30/564719730.db2.gz AXQUIPRDQHBGAQ-TUKIKUTGSA-N 1 0 390.343 2.872 20 0 GFADRO C[C@@H]1[C@H](CO)CC[N@@H+]1C[C@H](O)COc1ccc(Cl)cc1Br ZINC000488772202 564720226 /nfs/dbraw/zinc/72/02/26/564720226.db2.gz TUFCUBAKEKIBMM-MDZLAQPJSA-N 1 0 378.694 2.545 20 0 GFADRO C[C@H](NC(=O)N1CCO[C@H](C[NH+](C)C)C1)c1ccc(F)c(Br)c1 ZINC000458845146 564720532 /nfs/dbraw/zinc/72/05/32/564720532.db2.gz ITPOTTGMPGFKQX-WCQYABFASA-N 1 0 388.281 2.621 20 0 GFADRO COC(=O)CC1([NH2+]Cc2cc(Cl)cc(Cl)c2)CCS(=O)(=O)CC1 ZINC000526145099 564721606 /nfs/dbraw/zinc/72/16/06/564721606.db2.gz WOFZLYLAIDDVMH-UHFFFAOYSA-N 1 0 380.293 2.594 20 0 GFADRO O=C(NCC[C@H]1CC[NH2+]C1)[C@H](c1ccc(Br)cc1)N1CCCC1 ZINC000576941685 564721853 /nfs/dbraw/zinc/72/18/53/564721853.db2.gz OFELFFOEYATYPA-PBHICJAKSA-N 1 0 380.330 2.702 20 0 GFADRO CSc1ccc([C@@H](CNC(=O)N[C@@H](CO)CC(F)(F)F)[NH+](C)C)cc1 ZINC000458879663 564722320 /nfs/dbraw/zinc/72/23/20/564722320.db2.gz CHNRIKOQFTYWIC-TZMCWYRMSA-N 1 0 379.448 2.624 20 0 GFADRO CCCC[N@H+](C)CCNC(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000488869409 564722704 /nfs/dbraw/zinc/72/27/04/564722704.db2.gz WBBHKPBKQHFAMU-AWEZNQCLSA-N 1 0 396.329 2.650 20 0 GFADRO CN(CC[N@H+](C)C1CCCCC1)S(=O)(=O)c1cncc(Br)c1 ZINC000553498779 564722893 /nfs/dbraw/zinc/72/28/93/564722893.db2.gz TVBSAZUOEMJTSN-UHFFFAOYSA-N 1 0 390.347 2.729 20 0 GFADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)NCc2nc(C)c(Br)s2)C1 ZINC000458922469 564724049 /nfs/dbraw/zinc/72/40/49/564724049.db2.gz HRUZRWASAOZXRP-NSHDSACASA-N 1 0 375.336 2.697 20 0 GFADRO O=C(C[NH2+]C[C@H]1CCCO1)N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000577097860 564724693 /nfs/dbraw/zinc/72/46/93/564724693.db2.gz SVTSEEZRMITLFI-VXGBXAGGSA-N 1 0 377.432 2.637 20 0 GFADRO C[C@@H]([NH2+]Cc1cc(Br)cc2c1OCC2)C1CCS(=O)(=O)CC1 ZINC000526984860 564724709 /nfs/dbraw/zinc/72/47/09/564724709.db2.gz KNZZDOOEAXDWBC-LLVKDONJSA-N 1 0 388.327 2.687 20 0 GFADRO C[N@@H+]1CC[C@H](C(=O)N2CCN(c3ccc(C(F)(F)F)cc3Cl)CC2)C1 ZINC000553543849 564725984 /nfs/dbraw/zinc/72/59/84/564725984.db2.gz GUIBFCODBRRVSX-LBPRGKRZSA-N 1 0 375.822 2.959 20 0 GFADRO Cc1ccc(NC(=O)c2ccn(CC[NH+](C)C)n2)cc1I ZINC000577189109 564728353 /nfs/dbraw/zinc/72/83/53/564728353.db2.gz PTXQLTZDBDFTQI-UHFFFAOYSA-N 1 0 398.248 2.610 20 0 GFADRO O=S(=O)(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1cccc(OC(F)(F)F)c1F ZINC000489130815 564730549 /nfs/dbraw/zinc/73/05/49/564730549.db2.gz PCNWUYNUAIOTJI-GHMZBOCLSA-N 1 0 382.379 2.629 20 0 GFADRO C[C@H]1CC2(CN1S(=O)(=O)c1ccc(OC(F)(F)F)cc1)CC[NH2+]CC2 ZINC000577274411 564731811 /nfs/dbraw/zinc/73/18/11/564731811.db2.gz KMFAJFPQSIVZHP-LBPRGKRZSA-N 1 0 378.416 2.738 20 0 GFADRO O=C(Cc1csc(-c2ccc(Cl)cc2Cl)n1)NC[C@H]1C[NH2+]CCO1 ZINC000577282872 564732991 /nfs/dbraw/zinc/73/29/91/564732991.db2.gz AVQFLSHFFNMQMP-GFCCVEGCSA-N 1 0 386.304 2.764 20 0 GFADRO CC(C)[C@H]1CN(C(=O)c2csc(I)c2)CC[N@@H+]1C ZINC000489318533 564735023 /nfs/dbraw/zinc/73/50/23/564735023.db2.gz IDFNYDAPFAKXQV-LLVKDONJSA-N 1 0 378.279 2.765 20 0 GFADRO C[NH+](C)CCCOC1CCN(S(=O)(=O)c2c(Cl)ccc(F)c2F)CC1 ZINC000553763763 564734971 /nfs/dbraw/zinc/73/49/71/564734971.db2.gz JMYYAGZRGVJMPR-UHFFFAOYSA-N 1 0 396.887 2.740 20 0 GFADRO COc1cc(C[NH2+]C2(CO)Cc3ccccc3C2)c(Br)cc1O ZINC000553790530 564735976 /nfs/dbraw/zinc/73/59/76/564735976.db2.gz XVLBMBGMXRKAPJ-UHFFFAOYSA-N 1 0 378.266 2.783 20 0 GFADRO CC(C)[C@@H]1CN(C(=O)c2ccc(F)cc2I)CC[N@@H+]1C ZINC000489329387 564736101 /nfs/dbraw/zinc/73/61/01/564736101.db2.gz MNFDCQIWMLKHNL-AWEZNQCLSA-N 1 0 390.240 2.843 20 0 GFADRO COc1cc(CN(C)C(=O)C[N@H+](C)[C@H]2CCSC2)c(SC)cc1OC ZINC000489507326 564742163 /nfs/dbraw/zinc/74/21/63/564742163.db2.gz CHQICHFDYHCYET-AWEZNQCLSA-N 1 0 384.567 2.821 20 0 GFADRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(S(=O)(=O)N(CC)CC)cc2)[C@@H]1SC ZINC000459385286 564742412 /nfs/dbraw/zinc/74/24/12/564742412.db2.gz XFPQCTDSGNOXHY-KSZLIROESA-N 1 0 386.583 2.716 20 0 GFADRO Brc1cc2c(cc1C[NH2+][C@H]1CCOC3(CCOCC3)C1)OCO2 ZINC000553877727 564742603 /nfs/dbraw/zinc/74/26/03/564742603.db2.gz OEKZYVVEOILYKT-ZDUSSCGKSA-N 1 0 384.270 2.996 20 0 GFADRO CCO[C@@H]1C[C@H]([NH2+]C[C@@H](O)COc2cccc(C(F)(F)F)c2)[C@H]1SC ZINC000459391538 564742568 /nfs/dbraw/zinc/74/25/68/564742568.db2.gz KGHYYOQIRCXGMR-SLBVQIDZSA-N 1 0 379.444 2.944 20 0 GFADRO Cc1cc(C2CC[NH+](CCN3C(=O)N[C@@H](C)C3=O)CC2)ccc1Br ZINC000459424970 564743843 /nfs/dbraw/zinc/74/38/43/564743843.db2.gz KDIRSUPXENGLIE-ZDUSSCGKSA-N 1 0 394.313 2.877 20 0 GFADRO CCOc1cc(C[NH2+][C@](C)(COC)CC(=O)OC)cc(Br)c1O ZINC000459473234 564746127 /nfs/dbraw/zinc/74/61/27/564746127.db2.gz BFPILKFWZHWYHF-INIZCTEOSA-N 1 0 390.274 2.611 20 0 GFADRO CC(C)[NH2+]CCC(=O)N1CCN(Cc2cc(Br)ccc2F)CC1 ZINC000579351512 564747532 /nfs/dbraw/zinc/74/75/32/564747532.db2.gz YMHTZLQMFGBTCR-UHFFFAOYSA-N 1 0 386.309 2.621 20 0 GFADRO O=S(=O)(c1ccc(CC(F)(F)F)cc1)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000579473714 564747951 /nfs/dbraw/zinc/74/79/51/564747951.db2.gz HVVMIECQZMQSFG-GJZGRUSLSA-N 1 0 376.444 2.802 20 0 GFADRO CN(C)S(=O)(=O)NCC[NH2+][C@H]1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000459543215 564749989 /nfs/dbraw/zinc/74/99/89/564749989.db2.gz XKQVXELJEWRGFC-WFASDCNBSA-N 1 0 380.341 2.615 20 0 GFADRO C[N@@H+]1CC[C@@]2(CCN(C(=O)c3cc(I)ccc3F)C2)C1 ZINC000554142257 564752269 /nfs/dbraw/zinc/75/22/69/564752269.db2.gz RNGZKSCXRIJBPZ-OAHLLOKOSA-N 1 0 388.224 2.598 20 0 GFADRO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]CCc1c[nH]c2ncccc12 ZINC000579808502 564752292 /nfs/dbraw/zinc/75/22/92/564752292.db2.gz VGIHUEDWPOVTFI-LBPRGKRZSA-N 1 0 375.270 2.708 20 0 GFADRO COc1ccc(Cl)c(S(=O)(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)c1 ZINC000489798188 564753470 /nfs/dbraw/zinc/75/34/70/564753470.db2.gz DLERGUDOLCFQFN-OAHLLOKOSA-N 1 0 382.913 2.800 20 0 GFADRO Cn1cc(N2CCC[C@H]([NH2+]Cc3ncc(Cl)cc3Br)C2)cn1 ZINC000527663951 564754110 /nfs/dbraw/zinc/75/41/10/564754110.db2.gz ATFJSPVCGBOIMD-LBPRGKRZSA-N 1 0 384.709 2.990 20 0 GFADRO O[C@@H]1CCC[C@H]1[NH+]1CCC(NCc2ncc(Cl)cc2Br)CC1 ZINC000527674989 564754139 /nfs/dbraw/zinc/75/41/39/564754139.db2.gz NSYINSHTCBYKFV-HZPDHXFCSA-N 1 0 388.737 2.965 20 0 GFADRO COc1ccc(Cl)c(S(=O)(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)c1 ZINC000489825739 564754524 /nfs/dbraw/zinc/75/45/24/564754524.db2.gz NVFCVSQZHSAGHT-HNNXBMFYSA-N 1 0 382.913 2.800 20 0 GFADRO Cn1cnc(CC[NH2+]C2CCN(Cc3ccccc3Br)CC2)c1 ZINC000459653159 564754518 /nfs/dbraw/zinc/75/45/18/564754518.db2.gz CXGDZHXWAULBDH-UHFFFAOYSA-N 1 0 377.330 2.979 20 0 GFADRO Fc1c(Br)cccc1C[NH2+]CC1(N2CCOCC2)CCOCC1 ZINC000459648115 564754976 /nfs/dbraw/zinc/75/49/76/564754976.db2.gz BMSAVPQEJUDLQN-UHFFFAOYSA-N 1 0 387.293 2.559 20 0 GFADRO Fc1c(Br)ccc(C[NH2+]C[C@H]2COC3(CCOCC3)O2)c1F ZINC000527691554 564755685 /nfs/dbraw/zinc/75/56/85/564755685.db2.gz OIYGBALLSAYGLE-NSHDSACASA-N 1 0 378.213 2.739 20 0 GFADRO CCOc1cc(C[NH2+]CCn2cc(Br)ccc2=O)c(F)cc1OC ZINC000527714578 564757329 /nfs/dbraw/zinc/75/73/29/564757329.db2.gz WWOLKCATJZWDLS-UHFFFAOYSA-N 1 0 399.260 2.947 20 0 GFADRO CC(C)[C@@H](CO)C[NH2+][C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000580416113 564757479 /nfs/dbraw/zinc/75/74/79/564757479.db2.gz XJWIJAMJMMGNHP-BXUZGUMPSA-N 1 0 376.316 2.522 20 0 GFADRO O=C(NC[C@@H]1CCC[NH2+]C1)N1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000580412934 564757495 /nfs/dbraw/zinc/75/74/95/564757495.db2.gz IFWPRXDGIISFEY-CZUORRHYSA-N 1 0 382.302 2.532 20 0 GFADRO Fc1cc(C[NH2+]CC2(N3CCOCC3)CCOCC2)ccc1Br ZINC000459710202 564757635 /nfs/dbraw/zinc/75/76/35/564757635.db2.gz LMUQDDWKXDGYME-UHFFFAOYSA-N 1 0 387.293 2.559 20 0 GFADRO O[C@H](C[NH2+]Cc1ccc(-c2cccc(Br)c2)s1)Cn1ccnn1 ZINC000459709548 564757980 /nfs/dbraw/zinc/75/79/80/564757980.db2.gz XYKNYDKMRZRAHZ-CQSZACIVSA-N 1 0 393.310 2.920 20 0 GFADRO O=S(=O)(NCCC[C@@H]1CCC[NH2+]1)c1ccc(Cl)cc1Br ZINC000580430379 564758287 /nfs/dbraw/zinc/75/82/87/564758287.db2.gz CFVZZNUWERMCMV-NSHDSACASA-N 1 0 381.723 2.913 20 0 GFADRO COc1ccncc1CNC(=O)c1cc(C)ccc1I ZINC000554366715 564758518 /nfs/dbraw/zinc/75/85/18/564758518.db2.gz COHAUDOISOGTHU-UHFFFAOYSA-N 1 0 382.201 2.933 20 0 GFADRO COC(=O)c1cccc(-c2nc(C[NH2+]C3(CO)CCSCC3)cs2)c1 ZINC000459719926 564758867 /nfs/dbraw/zinc/75/88/67/564758867.db2.gz WCCDQGSWXCTVSF-UHFFFAOYSA-N 1 0 378.519 2.944 20 0 GFADRO CC[C@@H]1CC[C@@H]1[NH2+]C[C@@H](O)COc1ccc(I)cc1 ZINC000554361327 564758917 /nfs/dbraw/zinc/75/89/17/564758917.db2.gz URNGTWBBJAPHAO-KYOSRNDESA-N 1 0 375.250 2.809 20 0 GFADRO O[C@H](C[NH2+]Cc1cc(Br)cc(Br)c1)[C@@H]1CCCO1 ZINC000527756027 564759496 /nfs/dbraw/zinc/75/94/96/564759496.db2.gz JBZGKPXKPMSJGZ-OLZOCXBDSA-N 1 0 379.092 2.841 20 0 GFADRO O[C@@H](C[NH2+]C1CCN(Cc2ccccc2Br)CC1)[C@H]1CCCO1 ZINC000527759331 564759557 /nfs/dbraw/zinc/75/95/57/564759557.db2.gz SVIYIAZIKCBXRC-ZWKOTPCHSA-N 1 0 383.330 2.543 20 0 GFADRO CCOCC(C)(C)[NH2+]CC(=O)N(C)CCOc1ccc(Br)cc1 ZINC000580469620 564760112 /nfs/dbraw/zinc/76/01/12/564760112.db2.gz AZCHYAZTZCKGHN-UHFFFAOYSA-N 1 0 387.318 2.691 20 0 GFADRO CSC1(CNS(=O)(=O)c2oc3ccc(F)cc3c2C)CC[NH+](C)CC1 ZINC000580486055 564760005 /nfs/dbraw/zinc/76/00/05/564760005.db2.gz MUPQGXZZMIENQM-UHFFFAOYSA-N 1 0 386.514 2.986 20 0 GFADRO Brc1ccc(CN2CCC[C@@]3(CC[NH2+]C3)C2)c(N2CCOCC2)c1 ZINC000490026921 564760326 /nfs/dbraw/zinc/76/03/26/564760326.db2.gz BIADPELXLRWPAE-IBGZPJMESA-N 1 0 394.357 2.861 20 0 GFADRO CC[C@@H](NC(=O)C(=O)NCC1CC[NH+](C2CC2)CC1)c1ccc(Cl)s1 ZINC000554437144 564761101 /nfs/dbraw/zinc/76/11/01/564761101.db2.gz GVXLIRSNQOQGPG-CQSZACIVSA-N 1 0 383.945 2.959 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]Cc1cccnc1C ZINC000527793505 564761651 /nfs/dbraw/zinc/76/16/51/564761651.db2.gz JUQDUIUIZABYKI-ZDUSSCGKSA-N 1 0 392.297 2.956 20 0 GFADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N(CC)Cc2ccc(Cl)s2)C1 ZINC000459852006 564762863 /nfs/dbraw/zinc/76/28/63/564762863.db2.gz AXELRUMYVNZTNG-AWEZNQCLSA-N 1 0 385.961 2.940 20 0 GFADRO CC[N@@H+]1CCN(C(=O)[C@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)[C@@H](C)C1 ZINC000580535414 564763018 /nfs/dbraw/zinc/76/30/18/564763018.db2.gz IXAVEKOXMFKAQM-GXTWGEPZSA-N 1 0 384.307 2.899 20 0 GFADRO O[C@@H](C[NH2+][C@H]1CCCc2cn[nH]c21)COc1cc(F)cc(Br)c1 ZINC000580543541 564763402 /nfs/dbraw/zinc/76/34/02/564763402.db2.gz HNSHWTPNGRKKTO-ZFWWWQNUSA-N 1 0 384.249 2.718 20 0 GFADRO O=C(NC[C@@H]1CCC[NH2+]1)N1CCC[C@@H](Nc2cccc(Br)c2)C1 ZINC000580533090 564763427 /nfs/dbraw/zinc/76/34/27/564763427.db2.gz BZXQTMDDQZRAJQ-JKSUJKDBSA-N 1 0 381.318 2.787 20 0 GFADRO O[C@H](C[NH2+]CCc1cc(Cl)ccc1Br)COC1CCOCC1 ZINC000580553845 564764202 /nfs/dbraw/zinc/76/42/02/564764202.db2.gz IAIMYRFZJQCPBA-CQSZACIVSA-N 1 0 392.721 2.791 20 0 GFADRO CC(C)CN(CC[NH+](C)C)C(=O)C(=O)N(C)Cc1ccc(Cl)c(Cl)c1 ZINC000459914433 564765308 /nfs/dbraw/zinc/76/53/08/564765308.db2.gz YKHGDWUGPZKZKK-UHFFFAOYSA-N 1 0 388.339 2.998 20 0 GFADRO C[C@H]([NH2+]C[C@]1(CO)COCC2(CCC2)N1C)c1sccc1Br ZINC000527945834 564765434 /nfs/dbraw/zinc/76/54/34/564765434.db2.gz FSMUEXQIRCUUIU-LRDDRELGSA-N 1 0 389.359 2.777 20 0 GFADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)C3=Cc4cc(Br)ccc4OC3)[C@@H]2C1 ZINC000490226435 564766436 /nfs/dbraw/zinc/76/64/36/564766436.db2.gz BDQFKVOJICRBOQ-MLGOLLRUSA-N 1 0 377.282 2.778 20 0 GFADRO CC[NH+]1CCC(CNC(=O)[C@](N)(c2cccc(Cl)c2)C(F)(F)F)CC1 ZINC000554586744 564767510 /nfs/dbraw/zinc/76/75/10/564767510.db2.gz AJAGDXGDLAYWPC-MRXNPFEDSA-N 1 0 377.838 2.904 20 0 GFADRO O=S(=O)(N[C@@H]1CC[NH2+]C12CCC2)c1cc(Br)sc1Cl ZINC000528050901 564768392 /nfs/dbraw/zinc/76/83/92/564768392.db2.gz GMHIUXWHUIIOQZ-MRVPVSSYSA-N 1 0 385.736 2.727 20 0 GFADRO C[C@H]([NH2+]CCCN1C(=O)NC(C)(C)C1=O)c1ccc(Br)cc1F ZINC000580678236 564768553 /nfs/dbraw/zinc/76/85/53/564768553.db2.gz JBHVRCCANLBBJQ-JTQLQIEISA-N 1 0 386.265 2.959 20 0 GFADRO O=C(c1ncsc1Br)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000554619955 564768669 /nfs/dbraw/zinc/76/86/69/564768669.db2.gz IUQHGFGIMXQXNP-UHFFFAOYSA-N 1 0 388.331 2.623 20 0 GFADRO CCOC(=O)CC[C@H](O)C[NH2+][C@@H](C)Cc1ccc(F)c(Br)c1 ZINC000580710012 564770423 /nfs/dbraw/zinc/77/04/23/564770423.db2.gz RUTCVRFBGMBCDC-AAEUAGOBSA-N 1 0 376.266 2.813 20 0 GFADRO C[C@@H]1CN(S(=O)(=O)c2c(F)c(F)cc(F)c2F)CC[N@@H+](C2CCC2)C1 ZINC000490436161 564770911 /nfs/dbraw/zinc/77/09/11/564770911.db2.gz DYXGMKHTHAVEIS-JTQLQIEISA-N 1 0 380.407 2.738 20 0 GFADRO C[N@@H+]1CC[C@]2(CCN(C(=O)NCc3cc(F)c(Br)cc3F)C2)C1 ZINC000528249483 564774420 /nfs/dbraw/zinc/77/44/20/564774420.db2.gz CBHNBNZGYSAPPR-INIZCTEOSA-N 1 0 388.256 2.965 20 0 GFADRO C[C@@H](C[N@H+](C)C[C@@H]1CCN(S(C)(=O)=O)C1)Oc1ccc(Cl)c(Cl)c1 ZINC000554840985 564774711 /nfs/dbraw/zinc/77/47/11/564774711.db2.gz LBKLZQRNRJYTDY-STQMWFEESA-N 1 0 395.352 2.974 20 0 GFADRO CS[C@@H]1CN([C@@H](C)C(=O)NCc2ccccc2Cl)C[C@H]1[NH+]1CCCC1 ZINC000460354320 564774693 /nfs/dbraw/zinc/77/46/93/564774693.db2.gz SNOZSLOOMOVZRX-BMGDILEWSA-N 1 0 381.973 2.856 20 0 GFADRO C[N@@H+]1CC[C@]2(CCN(S(=O)(=O)c3ccc(OC(F)F)c(Cl)c3)C2)C1 ZINC000490511694 564774965 /nfs/dbraw/zinc/77/49/65/564774965.db2.gz HKFPTZUWFKLQCP-HNNXBMFYSA-N 1 0 380.844 2.658 20 0 GFADRO COc1ccc(Br)cc1C(=O)N1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000580827947 564775486 /nfs/dbraw/zinc/77/54/86/564775486.db2.gz JCYMCOHWPCZMJO-NVXWUHKLSA-N 1 0 397.313 2.816 20 0 GFADRO CC[NH+](CC)CCS(=O)(=O)N[C@H]1CCCc2cc(OC(F)F)ccc21 ZINC000554957081 564778996 /nfs/dbraw/zinc/77/89/96/564778996.db2.gz VSDUQVPKLDMWCI-INIZCTEOSA-N 1 0 376.469 2.927 20 0 GFADRO C[N@H+](C[C@H](O)CN1CCOc2c(Cl)cc(Br)cc21)C1CC1 ZINC000554946162 564779354 /nfs/dbraw/zinc/77/93/54/564779354.db2.gz OVZYTDYNKZYARF-LBPRGKRZSA-N 1 0 375.694 2.756 20 0 GFADRO CC[NH+]1CCN([C@@H]2CCN(Cc3ccc(Br)c(F)c3F)C2)CC1 ZINC000528382952 564780885 /nfs/dbraw/zinc/78/08/85/564780885.db2.gz ULWYFVQYBNOAAA-CQSZACIVSA-N 1 0 388.300 2.939 20 0 GFADRO CO[C@H]1CCN(C(=O)c2cc(C)nc3ccc(Br)cc32)[C@H](C[NH3+])C1 ZINC000580956597 564781118 /nfs/dbraw/zinc/78/11/18/564781118.db2.gz CBTVDWGOYIYVBX-KBPBESRZSA-N 1 0 392.297 2.884 20 0 GFADRO CS(=O)(=O)C1(C[NH2+]C[C@@H](O)COc2ccc(Cl)cc2Cl)CCCC1 ZINC000580948378 564781146 /nfs/dbraw/zinc/78/11/46/564781146.db2.gz WPQQOKOPWKXTFN-CYBMUJFWSA-N 1 0 396.336 2.680 20 0 GFADRO CSC1(CNC(=O)C(=O)Nc2ccc(Cl)cc2Cl)CC[NH+](C)CC1 ZINC000555052095 564781855 /nfs/dbraw/zinc/78/18/55/564781855.db2.gz AVEDHWTWNBCIRI-UHFFFAOYSA-N 1 0 390.336 2.876 20 0 GFADRO CSC1(CNC(=O)N[C@@H](C)[C@@H]2OCCc3sccc32)CC[NH+](C)CC1 ZINC000491078564 564786307 /nfs/dbraw/zinc/78/63/07/564786307.db2.gz PEWRIRKERJMDII-BBRMVZONSA-N 1 0 383.583 2.877 20 0 GFADRO C[C@H](OC[C@H](O)C[NH2+][C@@H]1CCC[C@H](S(C)(=O)=O)C1)c1ccc(Cl)cc1 ZINC000581127674 564788460 /nfs/dbraw/zinc/78/84/60/564788460.db2.gz ZMKIAXTUCOABRB-LIRZEXBASA-N 1 0 389.945 2.724 20 0 GFADRO CC[C@@H]([NH3+])CNC(=O)c1c(C)nn(Cc2cccc(Br)c2)c1C ZINC000581130996 564788618 /nfs/dbraw/zinc/78/86/18/564788618.db2.gz CICSRKMKLCREMC-OAHLLOKOSA-N 1 0 379.302 2.778 20 0 GFADRO CC[C@H]([NH2+]CCNS(=O)(=O)c1cc(C)ccc1Br)C1CC1 ZINC000581137240 564789254 /nfs/dbraw/zinc/78/92/54/564789254.db2.gz OTQKATHEPWDSHJ-AWEZNQCLSA-N 1 0 375.332 2.814 20 0 GFADRO C[C@@]1(Br)C[C@H]1C(=O)NC1CC[NH+](CCOc2ccc(F)cc2)CC1 ZINC000528604537 564796615 /nfs/dbraw/zinc/79/66/15/564796615.db2.gz BLKLPOKMCIMEIS-FUHWJXTLSA-N 1 0 399.304 2.959 20 0 GFADRO C[N@H+](CCNC(=O)N1CCO[C@@H](c2ccc(Br)cc2)C1)C1CC1 ZINC000491888568 564796779 /nfs/dbraw/zinc/79/67/79/564796779.db2.gz LCTGMOWERONNOY-MRXNPFEDSA-N 1 0 382.302 2.626 20 0 GFADRO CO[C@@H](c1ccccc1)[C@@H](C)[NH2+]CCNS(=O)(=O)c1cccc(Cl)c1 ZINC000492151703 564799876 /nfs/dbraw/zinc/79/98/76/564799876.db2.gz NDPABOPGBNLPHD-RDTXWAMCSA-N 1 0 382.913 2.984 20 0 GFADRO C[N@H+](C[C@@H](O)CN1CCC[C@H]1C(=O)Nc1cc(Cl)cc(Cl)c1)C1CC1 ZINC000581398623 564800855 /nfs/dbraw/zinc/80/08/55/564800855.db2.gz YNLAGGDFPJZOGK-SJORKVTESA-N 1 0 386.323 2.851 20 0 GFADRO O=S(=O)(c1cc(C(F)(F)F)ccc1F)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000581428829 564802012 /nfs/dbraw/zinc/80/20/12/564802012.db2.gz GRMAKVDFGBVSTK-GFCCVEGCSA-N 1 0 380.407 2.855 20 0 GFADRO C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[NH2+]CCS(=O)(=O)c1ccc(Br)cc1 ZINC000528749868 564802529 /nfs/dbraw/zinc/80/25/29/564802529.db2.gz FPRHLHPUAMBAAH-UUIJZJDISA-N 1 0 376.316 2.624 20 0 GFADRO C[C@@H](NC(=O)C(=O)N(C)CC[NH+]1CCCC1)c1cc(F)c(Cl)cc1Cl ZINC000555695989 564802694 /nfs/dbraw/zinc/80/26/94/564802694.db2.gz LOGIIUNYQXJZKF-LLVKDONJSA-N 1 0 390.286 2.864 20 0 GFADRO O=C(NC[C@H]1C[NH2+]CCO1)c1ccc(Oc2cccc(Br)c2)cc1 ZINC000581482960 564804055 /nfs/dbraw/zinc/80/40/55/564804055.db2.gz KPXMFGLGMOCOMU-QGZVFWFLSA-N 1 0 391.265 2.960 20 0 GFADRO C[C@]1(CO)CCC[C@@H]1[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000492875000 564804801 /nfs/dbraw/zinc/80/48/01/564804801.db2.gz RCDIFKSANYXMQI-UHOFOFEASA-N 1 0 392.721 2.983 20 0 GFADRO CS(=O)(=O)N1CCC[C@@H](C[N@@H+]2CCc3cccc(C(F)(F)F)c3C2)C1 ZINC000528793318 564804963 /nfs/dbraw/zinc/80/49/63/564804963.db2.gz KNBWAXACGVZETJ-ZDUSSCGKSA-N 1 0 376.444 2.735 20 0 GFADRO C[C@@H]1C[N@@H+](CCCNC(=O)c2c(F)ccc(Br)c2F)C[C@H](C)O1 ZINC000492935444 564805328 /nfs/dbraw/zinc/80/53/28/564805328.db2.gz DOLYCXAZBURQJP-PHIMTYICSA-N 1 0 391.256 2.956 20 0 GFADRO CN([C@@H](C[NH3+])C1CC1)S(=O)(=O)c1c(Cl)cc(F)cc1Br ZINC000461901834 564808274 /nfs/dbraw/zinc/80/82/74/564808274.db2.gz PWNAOOTUCLCNHZ-NSHDSACASA-N 1 0 385.686 2.599 20 0 GFADRO Cc1nc(C(F)(F)F)sc1C(=O)N1CCC([N@H+]2CCO[C@H](C)C2)CC1 ZINC000461933983 564809134 /nfs/dbraw/zinc/80/91/34/564809134.db2.gz FYSZDPRWMBWJIL-SNVBAGLBSA-N 1 0 377.432 2.796 20 0 GFADRO C[NH2+]CCC1CCN(C(=O)c2cc(=O)c3cc(Br)ccc3[nH]2)CC1 ZINC000581608556 564810031 /nfs/dbraw/zinc/81/00/31/564810031.db2.gz VNKACJAATRVUQB-UHFFFAOYSA-N 1 0 392.297 2.752 20 0 GFADRO C[C@H](CNC(=O)C(=O)NCc1c(Cl)cccc1Cl)[N@@H+]1CCC[C@H](C)C1 ZINC000556135472 564813329 /nfs/dbraw/zinc/81/33/29/564813329.db2.gz JDVPTFPRGUODHR-QWHCGFSZSA-N 1 0 386.323 2.846 20 0 GFADRO Cn1cc(Br)c(=O)c(NC(=O)NC[C@@H]2CC[N@@H+]2C2CCCCC2)c1 ZINC000529057670 564816774 /nfs/dbraw/zinc/81/67/74/564816774.db2.gz GYBAINYZJVTRHQ-ZDUSSCGKSA-N 1 0 397.317 2.676 20 0 GFADRO C[NH+](C)C1(CNS(=O)(=O)CCc2ccccc2Br)CCCC1 ZINC000462088675 564817763 /nfs/dbraw/zinc/81/77/63/564817763.db2.gz JUQLGSRERLAFAO-UHFFFAOYSA-N 1 0 389.359 2.785 20 0 GFADRO [NH3+][C@H]1CCC[C@@H](CNC(=O)Cc2csc(NC(=O)c3cccs3)n2)C1 ZINC000581823644 564818622 /nfs/dbraw/zinc/81/86/22/564818622.db2.gz UAOBAWBGRIYHIR-NEPJUHHUSA-N 1 0 378.523 2.633 20 0 GFADRO Cc1ncc(Br)cc1NC(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000529113672 564820235 /nfs/dbraw/zinc/82/02/35/564820235.db2.gz DGYZWMWLVSKVQE-UHFFFAOYSA-N 1 0 397.317 2.871 20 0 GFADRO FC(F)[C@H]1C[NH2+]CCN1Cc1ncc(Br)cc1Br ZINC000581884606 564821477 /nfs/dbraw/zinc/82/14/77/564821477.db2.gz PNEGKUGAWPUCNS-SNVBAGLBSA-N 1 0 385.050 2.646 20 0 GFADRO O=C(NC[C@@H]1CCC[NH2+]C1)[C@@H](c1ccc(Br)cc1)N1CCCC1 ZINC000581883177 564822046 /nfs/dbraw/zinc/82/20/46/564822046.db2.gz OUWKFHKEMOYHME-RHSMWYFYSA-N 1 0 380.330 2.702 20 0 GFADRO CC(C)c1ccc(Cl)c(S(=O)(=O)NCCN2CCC([NH+](C)C)CC2)c1 ZINC000556376249 564822966 /nfs/dbraw/zinc/82/29/66/564822966.db2.gz SMOIMJREWCASDI-UHFFFAOYSA-N 1 0 387.977 2.768 20 0 GFADRO C[NH+](C)C[C@]1(O)CCCN(C(=O)[C@@H]2C[C@H]2c2csc(Br)c2)C1 ZINC000529184765 564824771 /nfs/dbraw/zinc/82/47/71/564824771.db2.gz AKPICMDZYYOJBR-WOSRLPQWSA-N 1 0 387.343 2.529 20 0 GFADRO CC[N@H+](C)Cc1cccc(CNS(=O)(=O)c2ccc(Br)cn2)c1 ZINC000462178544 564825510 /nfs/dbraw/zinc/82/55/10/564825510.db2.gz ILPRVFHSCJXJNS-UHFFFAOYSA-N 1 0 398.326 2.774 20 0 GFADRO C[C@H](c1ccsc1)N1CCN(C(=O)NC[C@@]2([NH+](C)C)CCSC2)CC1 ZINC000462202244 564826817 /nfs/dbraw/zinc/82/68/17/564826817.db2.gz GFCRXFVRBBAVSI-QAPCUYQASA-N 1 0 382.599 2.574 20 0 GFADRO COC(=O)c1cc(Br)cc(C(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)c1 ZINC000462202756 564827101 /nfs/dbraw/zinc/82/71/01/564827101.db2.gz XGMZHYOOSTVKFA-IINYFYTJSA-N 1 0 381.270 2.591 20 0 GFADRO Cn1nccc1[C@@H]1CCC[C@H]([NH2+]CCn2cc(Br)ccc2=O)C1 ZINC000556454300 564827127 /nfs/dbraw/zinc/82/71/27/564827127.db2.gz WAIVLBGNWDCGLA-HIFRSBDPSA-N 1 0 379.302 2.660 20 0 GFADRO CN(C)S(=O)(=O)CC[NH2+]Cc1ccc(-c2ccc(Br)cc2)o1 ZINC000556456343 564827166 /nfs/dbraw/zinc/82/71/66/564827166.db2.gz BKEUTIKAWMZWLE-UHFFFAOYSA-N 1 0 387.299 2.690 20 0 GFADRO O=C(NCc1ccccc1Br)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000529302730 564828298 /nfs/dbraw/zinc/82/82/98/564828298.db2.gz ZKKTWWCYJYUNKY-INIZCTEOSA-N 1 0 396.329 2.749 20 0 GFADRO O=C(N[C@@H]1CCN(c2ccc(Br)cc2)C1)N[C@H]1CC[NH2+]C12CCC2 ZINC000529300319 564828723 /nfs/dbraw/zinc/82/87/23/564828723.db2.gz BVBWAFYDEJXNMQ-ZBFHGGJFSA-N 1 0 393.329 2.612 20 0 GFADRO C[C@@H]1CCCN1C(=O)CC[NH+]1CCN(c2cccc(Br)c2)CC1 ZINC000556507655 564828816 /nfs/dbraw/zinc/82/88/16/564828816.db2.gz WNHHPJMBASVEIH-OAHLLOKOSA-N 1 0 380.330 2.972 20 0 GFADRO O=C(N[C@@H](c1cncc(Br)c1)C1CC1)N[C@H]1CC[NH2+]C12CCC2 ZINC000529329045 564829416 /nfs/dbraw/zinc/82/94/16/564829416.db2.gz IZEXLTJTRVINEC-LSDHHAIUSA-N 1 0 379.302 2.879 20 0 GFADRO C[C@H](NC(=O)NCc1cc(F)c(Br)cc1F)[C@@H]1CCC[NH2+]C1 ZINC000529334414 564829968 /nfs/dbraw/zinc/82/99/68/564829968.db2.gz WQRIKKZHNNPHQW-VHSXEESVSA-N 1 0 376.245 2.915 20 0 GFADRO CC[N@@H+]1C[C@@H](C)N(C(=O)c2cc(Br)cc(C(=O)OC)c2)C[C@H]1C ZINC000462264688 564830324 /nfs/dbraw/zinc/83/03/24/564830324.db2.gz BFPKMNRDZGEBBG-VXGBXAGGSA-N 1 0 383.286 2.790 20 0 GFADRO C[C@H]([NH3+])[C@H]1CN(C(=O)N[C@@H](C)c2cc(F)c(Br)cc2F)CCO1 ZINC000529347465 564830497 /nfs/dbraw/zinc/83/04/97/564830497.db2.gz DMAXAKXLECMQSZ-UINNMSKDSA-N 1 0 392.244 2.546 20 0 GFADRO O=C(N[C@@H]1CC[NH2+]C12CCC2)N[C@@H]1CCOc2c(Br)cccc21 ZINC000529330199 564830614 /nfs/dbraw/zinc/83/06/14/564830614.db2.gz MFXJFHLJIXLENA-ZIAGYGMSSA-N 1 0 380.286 2.857 20 0 GFADRO Cc1cc(C2CCN(C(=O)NC[C@@H]3COCC[NH2+]3)CC2)ccc1Br ZINC000529374937 564832091 /nfs/dbraw/zinc/83/20/91/564832091.db2.gz FQGKGNRWXZHZCG-MRXNPFEDSA-N 1 0 396.329 2.635 20 0 GFADRO O=C(NC[C@H]1COCC[NH2+]1)N1CCCC[C@H]1Cc1cccc(Br)c1 ZINC000529386515 564832773 /nfs/dbraw/zinc/83/27/73/564832773.db2.gz JPDDCIOXUIAMFT-IRXDYDNUSA-N 1 0 396.329 2.544 20 0 GFADRO COc1cc(I)ccc1NC(=O)N(C)CCC[NH+](C)C ZINC000556652695 564833823 /nfs/dbraw/zinc/83/38/23/564833823.db2.gz NZNAVSZNNGOJNZ-UHFFFAOYSA-N 1 0 391.253 2.715 20 0 GFADRO Cc1ccc(S(=O)(=O)N2CC[C@H](C[NH+]3CCCC3)C2)cc1Br ZINC000462337105 564834612 /nfs/dbraw/zinc/83/46/12/564834612.db2.gz SHCITDCHYCQTGX-CQSZACIVSA-N 1 0 387.343 2.864 20 0 GFADRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)Cc3cccc(C)c3Br)[C@H]2C1 ZINC000529424041 564834819 /nfs/dbraw/zinc/83/48/19/564834819.db2.gz HLMGNTZYTHYKNY-JKSUJKDBSA-N 1 0 381.314 2.622 20 0 GFADRO O=C(c1ccc(Br)c(F)c1F)N1CCC[C@H](N2CCOCC2)C1 ZINC000529439110 564836100 /nfs/dbraw/zinc/83/61/00/564836100.db2.gz KDFLQAPLQMIRAV-NSHDSACASA-N 1 0 389.240 2.664 20 0 GFADRO Cn1cc(Cl)c(CNC(=O)NCC2([NH+]3CCSCC3)CCCCC2)n1 ZINC000582224678 564836424 /nfs/dbraw/zinc/83/64/24/564836424.db2.gz YMMWAIIUAQRXCO-UHFFFAOYSA-N 1 0 385.965 2.624 20 0 GFADRO CN1CC[NH+](CC2(C)CCN(Cc3ncc(Br)cc3F)CC2)CC1 ZINC000529540794 564840428 /nfs/dbraw/zinc/84/04/28/564840428.db2.gz IQLHWXSAXKKCQI-UHFFFAOYSA-N 1 0 399.352 2.833 20 0 GFADRO O=C(c1scnc1C(F)(F)F)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000582310873 564840518 /nfs/dbraw/zinc/84/05/18/564840518.db2.gz WCYNLIVLJZYIAJ-UHFFFAOYSA-N 1 0 377.432 2.879 20 0 GFADRO C[C@H](C(=O)N(C)CCC[N@H+](C)CCN(C)C)c1cccc(Br)c1 ZINC000462459978 564841951 /nfs/dbraw/zinc/84/19/51/564841951.db2.gz PICBPEZYQBLJQU-HNNXBMFYSA-N 1 0 384.362 2.895 20 0 GFADRO O=C(NCc1noc(-c2cccs2)n1)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000556819994 564842271 /nfs/dbraw/zinc/84/22/71/564842271.db2.gz NUIUJODXTRSVLA-CYBMUJFWSA-N 1 0 378.523 2.632 20 0 GFADRO C[NH+](C)[C@H]1CCCN(C(=O)c2cc(=O)c3cc(Br)ccc3[nH]2)CC1 ZINC000582397011 564844701 /nfs/dbraw/zinc/84/47/01/564844701.db2.gz OQANSJUTSADYMX-ZDUSSCGKSA-N 1 0 392.297 2.847 20 0 GFADRO Cc1cc(N2C[C@@H](C(=O)N[C@H](C)CCCC[NH3+])CC2=O)ccc1Br ZINC000495119340 564848606 /nfs/dbraw/zinc/84/86/06/564848606.db2.gz FZIILFWVFXGLNW-KGLIPLIRSA-N 1 0 396.329 2.744 20 0 GFADRO O=S(=O)(N[C@@H]1CC[N@H+](CC2CCCC2)C1)c1ccc(Br)cc1 ZINC000462575454 564849523 /nfs/dbraw/zinc/84/95/23/564849523.db2.gz OMNXQBAPYYPCDC-OAHLLOKOSA-N 1 0 387.343 2.992 20 0 GFADRO CCOc1cc(C[NH2+][C@@H]2CC(=O)N3CCCC[C@@H]23)cc(Br)c1O ZINC000582591706 564853754 /nfs/dbraw/zinc/85/37/54/564853754.db2.gz GHKYGEXQBFEMAY-KGLIPLIRSA-N 1 0 383.286 2.796 20 0 GFADRO C[NH+](C)[C@H]1CN(C(=O)[C@@H]2CCCO[C@@H]2c2ccc(Cl)cc2Cl)C[C@@H]1O ZINC000582618263 564854406 /nfs/dbraw/zinc/85/44/06/564854406.db2.gz ZCLPDOVELVCMKD-BSWAZPDLSA-N 1 0 387.307 2.594 20 0 GFADRO C[C@@H](NC(=O)NC[C@H]1CCC[NH2+]C1)c1cc2c(cc1Br)OCCO2 ZINC000557121348 564855338 /nfs/dbraw/zinc/85/53/38/564855338.db2.gz ZTBKJRFGQYIHEE-NEPJUHHUSA-N 1 0 398.301 2.580 20 0 GFADRO CSc1ncc(C(=O)N2C[C@@H](SC)[C@H]([NH+](C)C)C2)n1-c1ccccc1 ZINC000495551439 564855467 /nfs/dbraw/zinc/85/54/67/564855467.db2.gz ZNNOLZCECYVCMV-HZPDHXFCSA-N 1 0 376.551 2.712 20 0 GFADRO CC1([NH+]2CCOCC2)CCN(C(=O)c2ccc(F)cc2Br)CC1 ZINC000529912345 564855887 /nfs/dbraw/zinc/85/58/87/564855887.db2.gz OJWMYZSRCALWSI-UHFFFAOYSA-N 1 0 385.277 2.915 20 0 GFADRO OCCOc1ccc(C[NH2+]C[C@H](O)COc2cc(Cl)ccc2Cl)cc1 ZINC000582666705 564856331 /nfs/dbraw/zinc/85/63/31/564856331.db2.gz YSYCAOOKZJQAAJ-HNNXBMFYSA-N 1 0 386.275 2.894 20 0 GFADRO C[NH+]1CCN(CCCNC(=O)CSc2cccc(C(F)(F)F)c2)CC1 ZINC000496104668 564858303 /nfs/dbraw/zinc/85/83/03/564858303.db2.gz JOXMZCYSVKBXRF-UHFFFAOYSA-N 1 0 375.460 2.551 20 0 GFADRO C[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)N(C)CC[NH+]1CCCC1 ZINC000557240061 564858612 /nfs/dbraw/zinc/85/86/12/564858612.db2.gz ITBZWGUEKSKUFH-ZDUSSCGKSA-N 1 0 386.323 2.595 20 0 GFADRO CCOCC[C@@H](O)C[NH2+][C@@H]1CCCN(c2ccc(Br)c(C)c2)C1=O ZINC000582721356 564859197 /nfs/dbraw/zinc/85/91/97/564859197.db2.gz DDDPQGBIOSMNIO-NVXWUHKLSA-N 1 0 399.329 2.630 20 0 GFADRO CS(=O)(=O)[C@H]1CCCC[C@@H]1[NH2+]Cc1cc(Br)cc2c1OCC2 ZINC000462833480 564859786 /nfs/dbraw/zinc/85/97/86/564859786.db2.gz IYJQOLAVZOKDPR-GJZGRUSLSA-N 1 0 388.327 2.829 20 0 GFADRO CCCN(CC[NH+](C)C)C(=O)c1ccc(I)c(F)c1 ZINC000496321441 564859870 /nfs/dbraw/zinc/85/98/70/564859870.db2.gz MUPAKRBBFRRXKX-UHFFFAOYSA-N 1 0 378.229 2.844 20 0 GFADRO O=S(=O)(c1ccc(OC(F)F)c(F)c1)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000557348075 564860307 /nfs/dbraw/zinc/86/03/07/564860307.db2.gz VVHGTNZGVGYXLS-FZMZJTMJSA-N 1 0 378.416 2.580 20 0 GFADRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](Nc2cnn(C)c(=O)c2Br)C1 ZINC000496770935 564861499 /nfs/dbraw/zinc/86/14/99/564861499.db2.gz OAVBXPVOVWERGO-GXTWGEPZSA-N 1 0 377.286 2.790 20 0 GFADRO O=C(N[C@@H]1C[C@H]1C1CC[NH2+]CC1)c1cnn(-c2ccc(Br)cc2)c1 ZINC000462886438 564862415 /nfs/dbraw/zinc/86/24/15/564862415.db2.gz HPRAYUOWBPGJGK-DLBZAZTESA-N 1 0 389.297 2.753 20 0 GFADRO Cc1cccc(Br)c1C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000582791143 564862729 /nfs/dbraw/zinc/86/27/29/564862729.db2.gz DCKXMYCGMQZYOT-AWEZNQCLSA-N 1 0 381.314 2.988 20 0 GFADRO Cc1nc(NC(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)sc1C(F)(F)F ZINC000582858638 564865316 /nfs/dbraw/zinc/86/53/16/564865316.db2.gz SGQUUOQQIGVABS-UHFFFAOYSA-N 1 0 379.452 2.618 20 0 GFADRO NC(=O)[C@H](NC[C@H]1CC[N@@H+]1C1CCCCC1)c1cccc(Br)c1 ZINC000530129200 564865319 /nfs/dbraw/zinc/86/53/19/564865319.db2.gz GFQAKHGOPGAPAG-IAGOWNOFSA-N 1 0 380.330 2.972 20 0 GFADRO C[C@H](NS(=O)(=O)c1c(Cl)cc(F)cc1Br)[C@@H]1CCC[NH2+]C1 ZINC000497354044 564865566 /nfs/dbraw/zinc/86/55/66/564865566.db2.gz AEJAKSDAWKSSTH-DTWKUNHWSA-N 1 0 399.713 2.908 20 0 GFADRO Cc1ccc(-c2nc(NC(=O)C(=O)NC[C@@H](C)C[NH+](C)C)sc2C)s1 ZINC000582908904 564867507 /nfs/dbraw/zinc/86/75/07/564867507.db2.gz KPUCXRLRQPBQBG-SNVBAGLBSA-N 1 0 380.539 2.741 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+]CC2(O)CCC(c3ccccc3)CC2)s1 ZINC000530230822 564873160 /nfs/dbraw/zinc/87/31/60/564873160.db2.gz UGNJIVSEIDFKNQ-UHFFFAOYSA-N 1 0 380.535 2.574 20 0 GFADRO C[C@@H](NC[C@H]1COCC[NH2+]1)c1ccc(Br)cc1Br ZINC000530220154 564873217 /nfs/dbraw/zinc/87/32/17/564873217.db2.gz JGKCESCDTXOSHL-KOLCDFICSA-N 1 0 378.108 2.851 20 0 GFADRO COCC[N@@H+]1CC[C@@H](NC(=O)CCCC(=O)c2ccc(Br)cc2)C1 ZINC000497687645 564873580 /nfs/dbraw/zinc/87/35/80/564873580.db2.gz PIXCKZXDIGHVAB-MRXNPFEDSA-N 1 0 397.313 2.639 20 0 GFADRO Cc1ccc(C[NH2+]C2CCN(CCC(F)(F)F)CC2)cc1S(C)(=O)=O ZINC000463249982 564873985 /nfs/dbraw/zinc/87/39/85/564873985.db2.gz YDMJDAREKGHSAO-UHFFFAOYSA-N 1 0 378.460 2.905 20 0 GFADRO CS(=O)(=O)c1ccc(C[NH2+]C2CCN(CCc3ccccc3)CC2)s1 ZINC000463264094 564874446 /nfs/dbraw/zinc/87/44/46/564874446.db2.gz FHAXFVNNZYZMLF-UHFFFAOYSA-N 1 0 378.563 2.948 20 0 GFADRO CCC[N@@H+]1CCC[C@H]1CNC(=O)Cc1ccccc1I ZINC000557744271 564875055 /nfs/dbraw/zinc/87/50/55/564875055.db2.gz YWXGRFBIBGWWCF-AWEZNQCLSA-N 1 0 386.277 2.824 20 0 GFADRO C[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)N1CC[N@H+](C)CC[C@@H]1C ZINC000583159934 564878439 /nfs/dbraw/zinc/87/84/39/564878439.db2.gz ICARURGKZQEJQP-STQMWFEESA-N 1 0 386.323 2.593 20 0 GFADRO CN1CC[C@](O)(C[NH2+][C@@H]2CCCc3c4cc(Br)ccc4[nH]c32)C1 ZINC000583225927 564881067 /nfs/dbraw/zinc/88/10/67/564881067.db2.gz GYYOMRXPWFGNIZ-AEFFLSMTSA-N 1 0 378.314 2.964 20 0 GFADRO CCN(CCOc1ccc(Br)cc1)C(=O)c1ccnc(C[NH3+])c1 ZINC000463492342 564882195 /nfs/dbraw/zinc/88/21/95/564882195.db2.gz NGAXSPYOHWQAIM-UHFFFAOYSA-N 1 0 378.270 2.844 20 0 GFADRO Cc1cc(S(=O)(=O)NCC[NH2+][C@@H]2CCCC[C@@H]2[C@H]2CCOC2)c(C)s1 ZINC000530439879 564883001 /nfs/dbraw/zinc/88/30/01/564883001.db2.gz ZANDVIFMUPSBFP-GVDBMIGSSA-N 1 0 386.583 2.828 20 0 GFADRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1S(=O)(=O)c1ccc(Br)s1 ZINC000557853663 564883023 /nfs/dbraw/zinc/88/30/23/564883023.db2.gz FASCQYUQXVDJBD-GHMZBOCLSA-N 1 0 379.345 2.758 20 0 GFADRO CC[NH+](CC)CC[C@H](CO)NC(=O)c1cc(Br)cc2cccnc21 ZINC000583272786 564884202 /nfs/dbraw/zinc/88/42/02/564884202.db2.gz VQZXZIHTLAQPLP-OAHLLOKOSA-N 1 0 394.313 2.820 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NCc2cccc(Cl)c2Cl)[C@@H](C)C1 ZINC000583277396 564884550 /nfs/dbraw/zinc/88/45/50/564884550.db2.gz SJDZTOJXIRAMMW-SWLSCSKDSA-N 1 0 386.323 2.798 20 0 GFADRO COC[C@@]1(CNC(=O)Nc2nc3c(cccc3Br)s2)CCC[NH2+]1 ZINC000583310621 564886077 /nfs/dbraw/zinc/88/60/77/564886077.db2.gz KPHJUJFSKXMFOD-HNNXBMFYSA-N 1 0 399.314 2.949 20 0 GFADRO CO[C@H]1CCN(C(=O)N[C@@H]2C[C@H]2c2ccc(Br)s2)[C@@H](C[NH3+])C1 ZINC000583430527 564891326 /nfs/dbraw/zinc/89/13/26/564891326.db2.gz FKMKGRQNVHDABV-WRWGMCAJSA-N 1 0 388.331 2.514 20 0 GFADRO C[C@@H]1c2c(Cl)cc(Cl)cc2CCN1C(=O)C(=O)N1CCC[C@H](C[NH3+])C1 ZINC000583434983 564891440 /nfs/dbraw/zinc/89/14/40/564891440.db2.gz WZWLOIFHHWBCMM-VXGBXAGGSA-N 1 0 384.307 2.636 20 0 GFADRO CC(=O)NCC[C@H]1CCC[N@H+](C[C@@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000558156082 564894620 /nfs/dbraw/zinc/89/46/20/564894620.db2.gz UNSJXAVKOZNCJG-HUUCEWRRSA-N 1 0 389.323 2.971 20 0 GFADRO CC[NH+]1CCN(CC(=O)Nc2cc(Cl)cc(Br)c2OC)CC1 ZINC000530804617 564894970 /nfs/dbraw/zinc/89/49/70/564894970.db2.gz IEGJHXSHRGMAAP-UHFFFAOYSA-N 1 0 390.709 2.687 20 0 GFADRO O=C(NCCC[C@@H]1CCC[NH2+]1)[C@H]1CCN(c2cc(Cl)ccc2Cl)C1=O ZINC000583499115 564895050 /nfs/dbraw/zinc/89/50/50/564895050.db2.gz POUZIUPRWJUWPP-UONOGXRCSA-N 1 0 384.307 2.995 20 0 GFADRO CCCC[N@H+](C)C[C@H](C)NC(=O)Cc1cc2c(cc1Br)OCCO2 ZINC000558278008 564897015 /nfs/dbraw/zinc/89/70/15/564897015.db2.gz BVEISXNJNUMBDV-ZDUSSCGKSA-N 1 0 399.329 2.999 20 0 GFADRO Cc1cc(Br)c(S(=O)(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)s1 ZINC000583564329 564897529 /nfs/dbraw/zinc/89/75/29/564897529.db2.gz KYOHXUHTHCJQCC-LBPRGKRZSA-N 1 0 393.372 2.829 20 0 GFADRO C[NH+](C)CC1CCN(C(=O)c2cc(Br)c3c(c2)OCCO3)CC1 ZINC000498525829 564901104 /nfs/dbraw/zinc/90/11/04/564901104.db2.gz HOTDBQSDGWHOSF-UHFFFAOYSA-N 1 0 383.286 2.634 20 0 GFADRO CC[N@@H+]1C[C@H](C)N(C(=O)Cc2cccc(I)c2)C[C@@H]1C ZINC000498571190 564902764 /nfs/dbraw/zinc/90/27/64/564902764.db2.gz JOBHGHJHWLTBMT-STQMWFEESA-N 1 0 386.277 2.775 20 0 GFADRO C[C@@H](CC[NH+](C)C)NC(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1 ZINC000498645817 564904316 /nfs/dbraw/zinc/90/43/16/564904316.db2.gz XKNDIVJBKMFWDM-AWEZNQCLSA-N 1 0 386.945 2.883 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)[C@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1)C1CC1 ZINC000498700983 564905832 /nfs/dbraw/zinc/90/58/32/564905832.db2.gz IGEKAPKIDSRURR-LRDDRELGSA-N 1 0 384.307 2.803 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)CCNC(=O)c1ccsc1)c1ccc(Cl)cc1 ZINC000531307319 564906782 /nfs/dbraw/zinc/90/67/82/564906782.db2.gz WTCDWTVPDSFVMD-INIZCTEOSA-N 1 0 379.913 2.941 20 0 GFADRO C[NH+](C)CCOc1cnccc1CNC(=O)c1ccc(Br)c(F)c1 ZINC000583777663 564906965 /nfs/dbraw/zinc/90/69/65/564906965.db2.gz IZYITDWSMJDXQE-UHFFFAOYSA-N 1 0 396.260 2.854 20 0 GFADRO Cc1c(C(=O)N2CC[N@@H+](C)CC[C@H]2C)nnn1-c1cccc(Br)c1 ZINC000498728112 564907297 /nfs/dbraw/zinc/90/72/97/564907297.db2.gz JXYQVSGMMUXQOO-GFCCVEGCSA-N 1 0 392.301 2.504 20 0 GFADRO Cc1ccc(S(=O)(=O)N2CCC([NH2+]CCCc3nccs3)CC2)cc1 ZINC000583829221 564909004 /nfs/dbraw/zinc/90/90/04/564909004.db2.gz QILYFWWQCYZTKH-UHFFFAOYSA-N 1 0 379.551 2.827 20 0 GFADRO CO[C@@]1(C)CCC[N@H+](Cc2cc(=O)n3cc(Br)ccc3n2)CC1 ZINC000583907004 564912390 /nfs/dbraw/zinc/91/23/90/564912390.db2.gz ZVMLVWBUUGEMKC-KRWDZBQOSA-N 1 0 380.286 2.848 20 0 GFADRO CCNS(=O)(=O)[C@H]1CCN(Cc2c(Cl)cc(Cl)cc2N(C)C)C1 ZINC000583987386 564915303 /nfs/dbraw/zinc/91/53/03/564915303.db2.gz SUOWWIVPRRTVNS-LBPRGKRZSA-N 1 0 380.341 2.573 20 0 GFADRO CNC(=O)[C@@H](C)C[N@H+](C)[C@H]1CCCN(c2ccc(Br)c(C)c2)C1=O ZINC000464686666 564915639 /nfs/dbraw/zinc/91/56/39/564915639.db2.gz IKBKOHLLCJJPIR-BBRMVZONSA-N 1 0 396.329 2.567 20 0 GFADRO CC(C)(C)N1CC[C@@H]([NH2+]CCNS(C)(=O)=O)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000558896479 564917393 /nfs/dbraw/zinc/91/73/93/564917393.db2.gz KOASOGDJLQZIDS-CVEARBPZSA-N 1 0 391.940 2.532 20 0 GFADRO C[C@@H](Oc1ccc(Cl)cc1Cl)[C@H](C)[NH2+]CCNC(=O)c1cnccn1 ZINC000531706489 564918116 /nfs/dbraw/zinc/91/81/16/564918116.db2.gz NRIHRICABAGQPG-NWDGAFQWSA-N 1 0 383.279 2.959 20 0 GFADRO C[NH+]1CCC(CCO)(NC(=O)c2ccc(Br)cc2Cl)CC1 ZINC000499122057 564918593 /nfs/dbraw/zinc/91/85/93/564918593.db2.gz NZGVRPRZSQCIOQ-UHFFFAOYSA-N 1 0 375.694 2.679 20 0 GFADRO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[N@@H+]1CCC[C@]2(CNC(=O)C2)C1 ZINC000464800733 564918756 /nfs/dbraw/zinc/91/87/56/564918756.db2.gz GPMHKRMLJGLZOA-SFHVURJKSA-N 1 0 384.307 2.554 20 0 GFADRO CN(Cc1ccccc1Br)C(=O)C[N@@H+]1CCC[C@@H]2COCC[C@H]21 ZINC000464858499 564919556 /nfs/dbraw/zinc/91/95/56/564919556.db2.gz WXEUGHKTWMRPTF-NVXWUHKLSA-N 1 0 381.314 2.908 20 0 GFADRO CSC1(CNC(=O)C(=O)Nc2cc(C)c(F)cc2Cl)CC[NH+](C)CC1 ZINC000584084205 564919891 /nfs/dbraw/zinc/91/98/91/564919891.db2.gz DGDUAKWKEMLCKV-UHFFFAOYSA-N 1 0 387.908 2.670 20 0 GFADRO Cc1cc(C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)c(Br)s1 ZINC000559043078 564921399 /nfs/dbraw/zinc/92/13/99/564921399.db2.gz LTYOEGWNPIVEBG-UHFFFAOYSA-N 1 0 383.315 3.535 20 0 GFADRO CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)c3cc(Br)cs3)C2)CC1 ZINC000531832166 564921868 /nfs/dbraw/zinc/92/18/68/564921868.db2.gz QPJRXOYICSFDFJ-CQSZACIVSA-N 1 0 386.359 2.751 20 0 GFADRO CC(C)[N@@H+]1CC[C@H](CNC(=O)NCCOc2ncc(Cl)cc2Cl)C1 ZINC000531884457 564922818 /nfs/dbraw/zinc/92/28/18/564922818.db2.gz MRNJHZSRUUJBAO-GFCCVEGCSA-N 1 0 375.300 2.797 20 0 GFADRO CCC[C@@H]1CN(C(=O)Cc2cccc(Br)c2)CC[N@@H+]1CCOC ZINC000499439860 564927345 /nfs/dbraw/zinc/92/73/45/564927345.db2.gz FRBKOQLTXHFICV-QGZVFWFLSA-N 1 0 383.330 2.951 20 0 GFADRO CC[NH+]1CCC(NC(=O)NC[C@@H](C)Oc2ccc(Br)cc2)CC1 ZINC000465433080 564927888 /nfs/dbraw/zinc/92/78/88/564927888.db2.gz ZHJJOGWLWZZBOR-CYBMUJFWSA-N 1 0 384.318 3.000 20 0 GFADRO CCC[C@H]1CN(C(=O)COc2ccccc2Br)CC[N@@H+]1CCOC ZINC000499465519 564927937 /nfs/dbraw/zinc/92/79/37/564927937.db2.gz SVKGPRTYJGFEAD-HNNXBMFYSA-N 1 0 399.329 2.787 20 0 GFADRO C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N1CCC[C@H]2C[N@H+](C)C[C@H]21 ZINC000584287511 564928844 /nfs/dbraw/zinc/92/88/44/564928844.db2.gz OKFHUAQZAZEQOY-TYNCELHUSA-N 1 0 384.307 2.664 20 0 GFADRO CN(C)c1ncccc1C[NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000584286444 564928875 /nfs/dbraw/zinc/92/88/75/564928875.db2.gz PKHATGITDVRJJL-OAHLLOKOSA-N 1 0 398.276 2.579 20 0 GFADRO C[N@@H+]1CCC[C@]2(CCN(C[C@H](O)COc3ccc(Br)cc3)C2)C1 ZINC000559312059 564929706 /nfs/dbraw/zinc/92/97/06/564929706.db2.gz NUWZJPRQEWOIRE-WMZOPIPTSA-N 1 0 383.330 2.607 20 0 GFADRO COCC1([NH2+]Cc2cc(I)c(OC)c(OC)c2)CC1 ZINC000532212841 564932222 /nfs/dbraw/zinc/93/22/22/564932222.db2.gz WKFHTHCBDRCXFH-UHFFFAOYSA-N 1 0 377.222 2.577 20 0 GFADRO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N[C@@H](C)c1cc(F)c(Cl)cc1Cl ZINC000559403434 564932211 /nfs/dbraw/zinc/93/22/11/564932211.db2.gz DGHBRUJRYOALMC-UWVGGRQHSA-N 1 0 378.275 2.766 20 0 GFADRO CCCN(CC[NH+](C)C)C(=O)c1cc(=O)c2cc(Br)ccc2[nH]1 ZINC000532217380 564932410 /nfs/dbraw/zinc/93/24/10/564932410.db2.gz VJPZFTIUHNMQQN-UHFFFAOYSA-N 1 0 380.286 2.704 20 0 GFADRO O=C(c1ccn(-c2ccc(Br)cc2)n1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000559466910 564933889 /nfs/dbraw/zinc/93/38/89/564933889.db2.gz HZULXGVGHYHYRL-INIZCTEOSA-N 1 0 389.297 2.945 20 0 GFADRO COC(=O)CC[N@H+](CCN1CCOC[C@@H]1C)Cc1cccc(Br)c1 ZINC000499708022 564934507 /nfs/dbraw/zinc/93/45/07/564934507.db2.gz PHBQMXCNGQSKJV-HNNXBMFYSA-N 1 0 399.329 2.535 20 0 GFADRO COCCC[N@H+](C)CCNC(=O)N(C)CCc1ccc(Br)cc1 ZINC000466070357 564935299 /nfs/dbraw/zinc/93/52/99/564935299.db2.gz TXKHEOHIZXMDFX-UHFFFAOYSA-N 1 0 386.334 2.601 20 0 GFADRO C[C@H](CNC(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1)Oc1cccc(Br)c1 ZINC000466050531 564935402 /nfs/dbraw/zinc/93/54/02/564935402.db2.gz OAJNOKLXEMUTEB-GUTXKFCHSA-N 1 0 384.318 2.998 20 0 GFADRO C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)NCc3cccc(Cl)c3Cl)CC[C@H]21 ZINC000559632873 564937082 /nfs/dbraw/zinc/93/70/82/564937082.db2.gz TWLLEQIAHDDJFY-DZGCQCFKSA-N 1 0 384.307 2.552 20 0 GFADRO C[C@H](CNC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1)Oc1ccc(Br)cc1 ZINC000466375501 564938750 /nfs/dbraw/zinc/93/87/50/564938750.db2.gz UICKCGMTTXKUCS-GDBMZVCRSA-N 1 0 394.313 2.872 20 0 GFADRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)CCc1cccc(Br)c1 ZINC000499926528 564940320 /nfs/dbraw/zinc/94/03/20/564940320.db2.gz JMNJKYHBMIXHAP-KRWDZBQOSA-N 1 0 383.330 2.951 20 0 GFADRO NC(=O)[C@@H](C[NH2+]Cc1cncc(Br)c1)Cc1ccccc1Cl ZINC000466469816 564941427 /nfs/dbraw/zinc/94/14/27/564941427.db2.gz XCMQTXCUFFNHTA-CYBMUJFWSA-N 1 0 382.689 2.931 20 0 GFADRO CC[C@@H](Cn1cncn1)[NH2+][C@@H]1CCN(c2ccc(Br)c(C)c2)C1=O ZINC000559901002 564941538 /nfs/dbraw/zinc/94/15/38/564941538.db2.gz AAAJYUWUZZDOFQ-XJKSGUPXSA-N 1 0 392.301 2.523 20 0 GFADRO CCCN(CC[NH+](C)C)C(=O)c1cccc(F)c1I ZINC000532725807 564943055 /nfs/dbraw/zinc/94/30/55/564943055.db2.gz FTTZBVNYFSHARA-UHFFFAOYSA-N 1 0 378.229 2.844 20 0 GFADRO C[C@@H](CNC(=O)C(=O)NCCc1c(Cl)cccc1Cl)C[NH+]1CCCC1 ZINC000560015803 564944537 /nfs/dbraw/zinc/94/45/37/564944537.db2.gz KNDDFKLWXKIGFC-ZDUSSCGKSA-N 1 0 386.323 2.500 20 0 GFADRO C[N@@H+]1CC[C@H](C(=O)Nc2cccc(Oc3ncc(Br)cn3)c2)C1 ZINC000532915423 564949872 /nfs/dbraw/zinc/94/98/72/564949872.db2.gz GGQCMHSLCMGWNY-NSHDSACASA-N 1 0 377.242 2.922 20 0 GFADRO COc1cc(C[NH2+][C@H]2CCO[C@H](c3nccn3C)C2)cc(Br)c1O ZINC000560126266 564950915 /nfs/dbraw/zinc/95/09/15/564950915.db2.gz VOVCCPWHPGONBI-WFASDCNBSA-N 1 0 396.285 2.907 20 0 GFADRO CCC(CC)(CC(=O)OC)[NH2+]Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000533068278 564952594 /nfs/dbraw/zinc/95/25/94/564952594.db2.gz OAXVHCPBWUJWQL-UHFFFAOYSA-N 1 0 396.285 2.669 20 0 GFADRO C[C@H]1C[C@@H](N(C)C(=O)c2cccc(F)c2I)CC[N@@H+]1C ZINC000533069616 564953020 /nfs/dbraw/zinc/95/30/20/564953020.db2.gz MQSFIPIBBSZOQS-QWRGUYRKSA-N 1 0 390.240 2.985 20 0 GFADRO CS(=O)(=O)NC[C@@H]1CCC[C@@H]1[NH2+]Cc1c(Cl)cccc1N1CCCC1 ZINC000500461900 564954183 /nfs/dbraw/zinc/95/41/83/564954183.db2.gz KRXAORVFYBCPDJ-YOEHRIQHSA-N 1 0 385.961 2.748 20 0 GFADRO Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]2CNS(C)(=O)=O)cc1Br ZINC000500460119 564954619 /nfs/dbraw/zinc/95/46/19/564954619.db2.gz HLGUTEIWXYXOGN-UKRRQHHQSA-N 1 0 375.332 2.565 20 0 GFADRO Cc1ncc2c(n1)CC[N@@H+](CCC(=O)Nc1cccc(Br)c1)C2 ZINC000533239421 564958453 /nfs/dbraw/zinc/95/84/53/564958453.db2.gz FMTGPBXCIGFGKM-UHFFFAOYSA-N 1 0 375.270 2.934 20 0 GFADRO CC[C@H]1C[C@H](C)C[N@@H+]1CC(=O)NCC(=O)Nc1ccccc1Br ZINC000467212415 564958508 /nfs/dbraw/zinc/95/85/08/564958508.db2.gz WWXFVKFOUFAUHB-STQMWFEESA-N 1 0 382.302 2.624 20 0 GFADRO Cc1noc(C2CCC([NH2+]CCn3cc(Br)ccc3=O)CC2)n1 ZINC000560355018 564958723 /nfs/dbraw/zinc/95/87/23/564958723.db2.gz KNTIYWSUYVCDIV-UHFFFAOYSA-N 1 0 381.274 2.618 20 0 GFADRO CCOCCNC(=O)C[N@H+](Cc1cccc(Br)c1)C1CCOCC1 ZINC000467290611 564960013 /nfs/dbraw/zinc/96/00/13/564960013.db2.gz JNSJJXJAFQVJTB-UHFFFAOYSA-N 1 0 399.329 2.583 20 0 GFADRO C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+]CCS(=O)(=O)N1CCSCC1 ZINC000467341490 564961078 /nfs/dbraw/zinc/96/10/78/564961078.db2.gz FAIVSUARUPFVOI-CYBMUJFWSA-N 1 0 396.500 2.605 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)N1CC[C@H]([NH3+])C[C@H]1C ZINC000560483919 564964686 /nfs/dbraw/zinc/96/46/86/564964686.db2.gz AWYRPBVMWRHYLF-KFWWJZLASA-N 1 0 384.567 2.689 20 0 GFADRO CCOc1c(Cl)cc(NC(=O)C(=O)N[C@H]2CCC[N@H+](C)[C@H]2C)cc1Cl ZINC000467543321 564966602 /nfs/dbraw/zinc/96/66/02/564966602.db2.gz NWWXDDPGPUSELM-HZMBPMFUSA-N 1 0 388.295 2.930 20 0 GFADRO CCOc1c(Cl)cc(NC(=O)C(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1Cl ZINC000467570575 564967219 /nfs/dbraw/zinc/96/72/19/564967219.db2.gz TWNYJVOZAKTRDV-QWRGUYRKSA-N 1 0 388.295 2.930 20 0 GFADRO CC[C@H]([NH2+]CCNS(=O)(=O)c1cccc(Cl)c1Cl)[C@@H]1CCOC1 ZINC000560575022 564968412 /nfs/dbraw/zinc/96/84/12/564968412.db2.gz KNRPWVLZLDBLCE-YPMHNXCESA-N 1 0 381.325 2.676 20 0 GFADRO C[C@@H]([NH2+][C@H](C)C1(S(C)(=O)=O)CC1)c1ccc(I)cc1 ZINC000560580730 564968974 /nfs/dbraw/zinc/96/89/74/564968974.db2.gz IRVGENJWGMIDNG-GHMZBOCLSA-N 1 0 393.290 2.908 20 0 GFADRO C[C@@H]([NH2+]CCc1ccc(S(N)(=O)=O)cc1)c1nc(C(F)(F)F)cs1 ZINC000467742141 564971278 /nfs/dbraw/zinc/97/12/78/564971278.db2.gz UUQOFCBQNOWIGP-SECBINFHSA-N 1 0 379.429 2.703 20 0 GFADRO Cc1cc(Br)cc(C)c1CNC(=O)NCCNc1cc[nH+]cc1 ZINC000533812119 564973467 /nfs/dbraw/zinc/97/34/67/564973467.db2.gz OOXDLPFMGCHWCU-UHFFFAOYSA-N 1 0 377.286 2.794 20 0 GFADRO Cc1cc(C(=O)Nc2ccc(=O)n(CC[NH+](C)C)c2)ccc1Br ZINC000533858122 564974400 /nfs/dbraw/zinc/97/44/00/564974400.db2.gz QKQGECNTVBAWOK-UHFFFAOYSA-N 1 0 378.270 2.733 20 0 GFADRO C[C@H](CC[NH+](C)C)NC(=O)N1CCO[C@H](c2cccc(Br)c2)C1 ZINC000501409714 564978757 /nfs/dbraw/zinc/97/87/57/564978757.db2.gz SVWRKYOUGQEFQY-CJNGLKHVSA-N 1 0 384.318 2.872 20 0 GFADRO CC[NH+]1CCC(NC(=O)CN2Cc3cc(Br)ccc3C[C@H]2C)CC1 ZINC000501418963 564978843 /nfs/dbraw/zinc/97/88/43/564978843.db2.gz HQPREULBMUSEDY-CQSZACIVSA-N 1 0 394.357 2.796 20 0 GFADRO COc1ccc(-c2ncc(C(=O)N3C[C@H](SC)[C@@H]([NH+](C)C)C3)s2)cc1 ZINC000534093281 564979906 /nfs/dbraw/zinc/97/99/06/564979906.db2.gz HGMRLNAXKLSWMY-HOCLYGCPSA-N 1 0 377.535 2.936 20 0 GFADRO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)NCc1ccc(S(C)(=O)=O)s1 ZINC000468331407 564981807 /nfs/dbraw/zinc/98/18/07/564981807.db2.gz USWKOOWFBLMGMT-AWEZNQCLSA-N 1 0 387.571 2.605 20 0 GFADRO C[N@H+](CCCNC(=O)NCc1ccc(S(C)(=O)=O)s1)C1CCCCC1 ZINC000468454533 564984056 /nfs/dbraw/zinc/98/40/56/564984056.db2.gz BMOWMAKUYFBTKX-UHFFFAOYSA-N 1 0 387.571 2.605 20 0 GFADRO O=C(CC[N@@H+]1CCCC[C@@H]1[C@@H]1CNC(=O)C1)Nc1ccc(Br)cc1 ZINC000534279248 564984482 /nfs/dbraw/zinc/98/44/82/564984482.db2.gz APVGEZOYXYJMFG-XJKSGUPXSA-N 1 0 394.313 2.768 20 0 GFADRO CCOC(=O)CC(C)(C)[N@H+](C)Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000534279316 564984546 /nfs/dbraw/zinc/98/45/46/564984546.db2.gz MYASDUYJWPFKEL-UHFFFAOYSA-N 1 0 396.285 2.621 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)c2cn(-c3ccc(Br)cc3)cn2)C[N@@H+]1C1CC1 ZINC000534416489 564988431 /nfs/dbraw/zinc/98/84/31/564988431.db2.gz KWIWSQJEXOXNPA-OCCSQVGLSA-N 1 0 389.297 2.990 20 0 GFADRO C[C@H](O)C[N@@H+]1CCN(CCOc2ccc(Cl)cc2Br)[C@@H](C)C1 ZINC000501973300 564989554 /nfs/dbraw/zinc/98/95/54/564989554.db2.gz HBJXBYDEMMFAGU-STQMWFEESA-N 1 0 391.737 2.868 20 0 GFADRO C[C@H](O)C[N@@H+]1CCN(Cc2cccc(Br)c2OC(F)F)[C@@H](C)C1 ZINC000502000703 564989620 /nfs/dbraw/zinc/98/96/20/564989620.db2.gz LSJYKRNBVQOCEJ-RYUDHWBXSA-N 1 0 393.272 2.937 20 0 GFADRO C[N@H+](CCNC(=O)[C@@H]1CC(=O)Nc2ccc(Br)cc21)C1CCCC1 ZINC000468759675 564992967 /nfs/dbraw/zinc/99/29/67/564992967.db2.gz AIIIOQKZTKBDPT-OAHLLOKOSA-N 1 0 394.313 2.866 20 0 GFADRO COC(=O)c1csc(S(=O)(=O)NCCCC[NH+]2C[C@@H](C)C[C@H](C)C2)c1 ZINC000502174543 564993276 /nfs/dbraw/zinc/99/32/76/564993276.db2.gz POZDCOLEKMWWDK-KBPBESRZSA-N 1 0 388.555 2.571 20 0 GFADRO CN1CC[NH+](CC2CCN(C(=O)c3cc4cc(Cl)sc4[nH]3)CC2)CC1 ZINC000561412229 564994876 /nfs/dbraw/zinc/99/48/76/564994876.db2.gz WVZAEXWIHGXXKU-UHFFFAOYSA-N 1 0 380.945 2.982 20 0 GFADRO CC[NH+](CC)[C@@H](CNC(=O)c1cc[nH]c(=O)c1Br)c1ccco1 ZINC000468910208 564998588 /nfs/dbraw/zinc/99/85/88/564998588.db2.gz JLGOOAYAONDNOZ-LBPRGKRZSA-N 1 0 382.258 2.956 20 0 GFADRO CC[NH+]1CCC(CCNS(=O)(=O)Cc2ccccc2Br)CC1 ZINC000561519169 564998796 /nfs/dbraw/zinc/99/87/96/564998796.db2.gz OPFSLNALUNMZKE-UHFFFAOYSA-N 1 0 389.359 2.991 20 0 GFADRO Cc1cnc(NC(=O)[C@@H]2CSCN2C(=O)[C@@H](C)[NH+]2CCCCCC2)s1 ZINC000468931679 564999285 /nfs/dbraw/zinc/99/92/85/564999285.db2.gz JJJSKGOPSKEIBU-KGLIPLIRSA-N 1 0 382.555 2.556 20 0 GFADRO CS[C@@H]1CN([C@@H](C)C(=O)Nc2ccc(Br)cc2)C[C@H]1[NH+](C)C ZINC000534954183 565000507 /nfs/dbraw/zinc/00/05/07/565000507.db2.gz DDZIQKVABMXEOO-NILFDRSVSA-N 1 0 386.359 2.754 20 0 GFADRO C[C@@H]1CN(CCN(C)C(=O)COc2ccc(Cl)cc2Cl)C[C@H](C)O1 ZINC000469141689 565006774 /nfs/dbraw/zinc/00/67/74/565006774.db2.gz FCNSZHMNVCEMCU-BETUJISGSA-N 1 0 375.296 2.940 20 0 GFADRO CN(C)CC[N@H+](C)CCCN(C)S(=O)(=O)Cc1cc(Cl)cc(Cl)c1 ZINC000561731074 565007110 /nfs/dbraw/zinc/00/71/10/565007110.db2.gz YTHBXVYIZZJHNT-UHFFFAOYSA-N 1 0 396.384 2.639 20 0 GFADRO C[N@@H+]1CC[C@@]2(CCN(C(=O)c3cccc(F)c3I)C2)C1 ZINC000561773357 565008868 /nfs/dbraw/zinc/00/88/68/565008868.db2.gz DSUDCGVQHSBNMC-OAHLLOKOSA-N 1 0 388.224 2.598 20 0 GFADRO C[N@@H+](CCC(=O)NCc1ccccc1Cl)CCn1cc(Br)cn1 ZINC000561791920 565009617 /nfs/dbraw/zinc/00/96/17/565009617.db2.gz GIXARRPAKYWUEP-UHFFFAOYSA-N 1 0 399.720 2.937 20 0 GFADRO C[C@@H](Cc1cc(Br)ccc1F)NC(=O)NCCNc1cc[nH+]cc1 ZINC000535266399 565009679 /nfs/dbraw/zinc/00/96/79/565009679.db2.gz SZDXUJYUVHWOGS-LBPRGKRZSA-N 1 0 395.276 2.747 20 0 GFADRO CCc1n[nH]c(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)c1Br ZINC000469234432 565010286 /nfs/dbraw/zinc/01/02/86/565010286.db2.gz JDTAXGITSNHZPJ-SWLSCSKDSA-N 1 0 391.313 2.985 20 0 GFADRO C[C@@H](CNC(=O)C[N@H+](C)[C@H]1CCSC1)Oc1ccccc1Br ZINC000535335081 565010639 /nfs/dbraw/zinc/01/06/39/565010639.db2.gz DVAPUNXYLGLZIB-STQMWFEESA-N 1 0 387.343 2.770 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)C(=O)N(C)Cc2ccc(Cl)c(Cl)c2)C[N@@H+]1C1CC1 ZINC000561886385 565011915 /nfs/dbraw/zinc/01/19/15/565011915.db2.gz SWEBFDQOAVTPFA-DGCLKSJQSA-N 1 0 384.307 2.693 20 0 GFADRO CCc1n[nH]c(C(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)c1Br ZINC000469309616 565012914 /nfs/dbraw/zinc/01/29/14/565012914.db2.gz HKMYPYXFMQJVSY-ZDUSSCGKSA-N 1 0 383.265 2.906 20 0 GFADRO CS[C@H]1CN(S(=O)(=O)c2c(Cl)ccc(C)c2Cl)C[C@H]1[NH+](C)C ZINC000503209407 565013841 /nfs/dbraw/zinc/01/38/41/565013841.db2.gz UFAVGRXDVKVFGQ-NEPJUHHUSA-N 1 0 383.366 2.968 20 0 GFADRO NC(=O)[C@@H]1CCCN1CCC[NH2+][C@@H]1CCc2c1c(Br)ccc2F ZINC000535508865 565014423 /nfs/dbraw/zinc/01/44/23/565014423.db2.gz XONVGBXVXVWFKR-CABCVRRESA-N 1 0 384.293 2.505 20 0 GFADRO COc1cc(Cl)c(S(=O)(=O)N2C[C@@H](SC)[C@@H]([NH+](C)C)C2)cc1Cl ZINC000503223605 565014609 /nfs/dbraw/zinc/01/46/09/565014609.db2.gz OAHLJUHYNYLZPW-WCQYABFASA-N 1 0 399.365 2.668 20 0 GFADRO CS[C@@H]1CN(S(=O)(=O)Cc2cc(Cl)cc(Cl)c2)C[C@H]1[NH+](C)C ZINC000503223657 565014647 /nfs/dbraw/zinc/01/46/47/565014647.db2.gz ODGDKMUQJFYYDA-ZIAGYGMSSA-N 1 0 383.366 2.801 20 0 GFADRO C[N@H+](CCOCCO)CCOc1c(Br)cccc1Br ZINC000503237932 565015128 /nfs/dbraw/zinc/01/51/28/565015128.db2.gz HWYFOXCRWRXVQQ-UHFFFAOYSA-N 1 0 397.107 2.531 20 0 GFADRO CS[C@@H]1CN(S(=O)(=O)Cc2c(Cl)cccc2Cl)C[C@H]1[NH+](C)C ZINC000535620400 565017445 /nfs/dbraw/zinc/01/74/45/565017445.db2.gz IECISBKEBFYYFO-ZIAGYGMSSA-N 1 0 383.366 2.801 20 0 GFADRO CCOC(=O)CN(C)C(=O)C[NH+]1CCC(c2ccc(Br)cc2)CC1 ZINC000503414514 565018385 /nfs/dbraw/zinc/01/83/85/565018385.db2.gz DRKRRIXYRYJFDI-UHFFFAOYSA-N 1 0 397.313 2.650 20 0 GFADRO CC[N@H+](CCOCCO)[C@H](C)C(=O)N[C@H](C)c1ccc(Cl)cc1Cl ZINC000503403684 565018474 /nfs/dbraw/zinc/01/84/74/565018474.db2.gz DGHJKFYOKSUPEW-CHWSQXEVSA-N 1 0 377.312 2.890 20 0 GFADRO O=S1(=O)CCCN1CC[NH+]1CCC(c2ccc(Br)cc2)CC1 ZINC000503411915 565018535 /nfs/dbraw/zinc/01/85/35/565018535.db2.gz JWNHKARVDQVLLW-UHFFFAOYSA-N 1 0 387.343 2.664 20 0 GFADRO C[N@@H+]1CC[C@@H](NC(=O)c2cc[nH]c(=O)c2Br)[C@@H]1c1ccccc1 ZINC000469687199 565023855 /nfs/dbraw/zinc/02/38/55/565023855.db2.gz HYVKDTSEBKWVCE-HIFRSBDPSA-N 1 0 376.254 2.725 20 0 GFADRO C[NH+](C)Cc1ccc(CNC(=O)c2cc[nH]c(=O)c2Br)cc1F ZINC000469728269 565025165 /nfs/dbraw/zinc/02/51/65/565025165.db2.gz IQXULUWIPMTIGK-UHFFFAOYSA-N 1 0 382.233 2.680 20 0 GFADRO COc1cc(Br)ccc1[C@@H](C)[NH2+]CC1CCS(=O)(=O)CC1 ZINC000469740173 565025290 /nfs/dbraw/zinc/02/52/90/565025290.db2.gz VETLCBIIVSYGEJ-LLVKDONJSA-N 1 0 376.316 2.933 20 0 GFADRO O=C(NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)N[C@@H](CO)CC(F)F ZINC000562361801 565025784 /nfs/dbraw/zinc/02/57/84/565025784.db2.gz AFKXRQUCAVRXCH-IUODEOHRSA-N 1 0 375.847 2.792 20 0 GFADRO CC[C@@H](C[N@H+](C)[C@H](C)C(=O)NCC(=O)OC)Oc1ccc(Cl)c(Cl)c1 ZINC000469755751 565026272 /nfs/dbraw/zinc/02/62/72/565026272.db2.gz IKWQHIMKOHVFTD-NEPJUHHUSA-N 1 0 391.295 2.760 20 0 GFADRO CCCNC(=O)NC(=O)C[N@@H+](Cc1cccc(Br)c1)CC1CC1 ZINC000503682349 565026558 /nfs/dbraw/zinc/02/65/58/565026558.db2.gz HLZRFZMNVYPUPC-UHFFFAOYSA-N 1 0 382.302 2.897 20 0 GFADRO C[C@@H](CO)[N@@H+]1CCCN(Cc2cccc(Br)c2OC(F)F)CC1 ZINC000469843379 565029387 /nfs/dbraw/zinc/02/93/87/565029387.db2.gz REBCSWVVBZCQNT-LBPRGKRZSA-N 1 0 393.272 2.939 20 0 GFADRO COC(=O)[C@@H]1CC[N@H+]([C@H](C)C(=O)N(C)Cc2ccc(Br)cc2)[C@H]1C ZINC000469851303 565030274 /nfs/dbraw/zinc/03/02/74/565030274.db2.gz YQIVLGDPPPAUED-WOSRLPQWSA-N 1 0 397.313 2.679 20 0 GFADRO COC(=O)CN(CCc1ccc(Cl)cc1Cl)C(=O)C1CC[NH+](C)CC1 ZINC000469886281 565031150 /nfs/dbraw/zinc/03/11/50/565031150.db2.gz AETQADUJZLODMU-UHFFFAOYSA-N 1 0 387.307 2.879 20 0 GFADRO COc1cc(Cl)c(S(=O)(=O)NC[C@@H](C)[N@@H+]2CCCC[C@@H]2C)cc1OC ZINC000562502902 565031365 /nfs/dbraw/zinc/03/13/65/565031365.db2.gz DWAOTOQKUABJHR-QWHCGFSZSA-N 1 0 390.933 2.898 20 0 GFADRO CC(C)(CNS(=O)(=O)c1ccc(OC(F)F)c(F)c1)[NH+]1CCCCC1 ZINC000562502801 565031388 /nfs/dbraw/zinc/03/13/88/565031388.db2.gz BBOBPXZUOPTPQJ-UHFFFAOYSA-N 1 0 380.432 2.970 20 0 GFADRO COC(=O)[C@@]1(C)CC[N@@H+]([C@H](C)C(=O)Nc2ccc(Br)c(C)c2)C1 ZINC000470012191 565035428 /nfs/dbraw/zinc/03/54/28/565035428.db2.gz FJEAOJUAPFCGNA-PXAZEXFGSA-N 1 0 383.286 2.970 20 0 GFADRO C[C@H](CO)[N@@H+]1CCCN(C(=O)C2(c3ccc(Br)cc3)CCC2)CC1 ZINC000470077860 565037104 /nfs/dbraw/zinc/03/71/04/565037104.db2.gz BGLVUQWJCPWMFL-OAHLLOKOSA-N 1 0 395.341 2.786 20 0 GFADRO C[C@H]1C[C@H](NC(=O)NCc2nc3c(cccc3Br)[nH]2)C[N@@H+]1C1CC1 ZINC000562667402 565038376 /nfs/dbraw/zinc/03/83/76/565038376.db2.gz IODLBHHLQVWIGB-QWRGUYRKSA-N 1 0 392.301 2.750 20 0 GFADRO Cc1ccc(Cc2cnc(NC(=O)NC[C@@H]3C[NH2+]CCO3)s2)cc1Cl ZINC000562746805 565041310 /nfs/dbraw/zinc/04/13/10/565041310.db2.gz SNBIYHYMSLDOOY-ZDUSSCGKSA-N 1 0 380.901 2.806 20 0 GFADRO CC[NH2+]CCCNC(=O)Nc1c(F)cc(C)cc1I ZINC000562757788 565041601 /nfs/dbraw/zinc/04/16/01/565041601.db2.gz NFCCGVAGQXTNHV-UHFFFAOYSA-N 1 0 379.217 2.860 20 0 GFADRO C[C@H](Cc1ccccc1C(F)(F)F)[NH2+][C@H]1CCC[C@H]1CNS(C)(=O)=O ZINC000504574575 565042133 /nfs/dbraw/zinc/04/21/33/565042133.db2.gz GAJJBLKKNYLHLU-INWMFGNUSA-N 1 0 378.460 2.944 20 0 GFADRO C[C@H](Cn1cc(Br)cn1)[NH2+][C@@H](Cc1ccccc1)[C@@H](O)C(F)F ZINC000470256364 565042600 /nfs/dbraw/zinc/04/26/00/565042600.db2.gz URLGXAWQVGEVGG-BYCMXARLSA-N 1 0 388.256 2.861 20 0 GFADRO CN1CCN(C(=O)N[C@@H](c2ccc(Br)cc2)C2CCC2)[C@@H](C[NH3+])C1 ZINC000562790981 565043235 /nfs/dbraw/zinc/04/32/35/565043235.db2.gz CCRGCMBNXJHVIL-DLBZAZTESA-N 1 0 395.345 2.575 20 0 GFADRO Cc1nc(-c2ccccc2F)sc1[C@H](C)[NH2+]C[C@@H]1CS(=O)(=O)CCO1 ZINC000536841956 565048284 /nfs/dbraw/zinc/04/82/84/565048284.db2.gz ZIKWYMREBRNGRY-WCQYABFASA-N 1 0 384.498 2.722 20 0 GFADRO C[C@H]([NH2+]CCS(=O)(=O)NC[C@H]1CCCCO1)c1cc2c(s1)CCCC2 ZINC000536864866 565048362 /nfs/dbraw/zinc/04/83/62/565048362.db2.gz QSAVMPOOCMAYSO-GOEBONIOSA-N 1 0 386.583 2.766 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H](C)c2ncc(Br)cn2)C[C@@H]1C ZINC000563058745 565053485 /nfs/dbraw/zinc/05/34/85/565053485.db2.gz QWTKLTVHEMFEQF-OBJOEFQTSA-N 1 0 384.322 2.814 20 0 GFADRO O=C(c1ccc(-n2cc(Br)cn2)cc1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000563087215 565055428 /nfs/dbraw/zinc/05/54/28/565055428.db2.gz INIUBLKFHLFPQG-GOSISDBHSA-N 1 0 389.297 2.851 20 0 GFADRO C[C@H]1C[C@H](NC(=O)Nc2ccc(S(C)(=O)=O)c(C(F)F)c2)CC[N@@H+]1C ZINC000537228949 565055696 /nfs/dbraw/zinc/05/56/96/565055696.db2.gz FZFDIANHYNNUNR-CMPLNLGQSA-N 1 0 375.441 2.632 20 0 GFADRO OC[C@H](C[NH2+]C[C@H](O)CC(F)(F)F)Cc1ccc(F)c(Br)c1 ZINC000563137975 565056796 /nfs/dbraw/zinc/05/67/96/565056796.db2.gz JPHMGIIEARSGNI-WDEREUQCSA-N 1 0 388.199 2.642 20 0 GFADRO COc1cc(Br)c(NC(=O)COC2CCC([NH3+])CC2)cc1OC ZINC000563155511 565057291 /nfs/dbraw/zinc/05/72/91/565057291.db2.gz NHZVVTZFMXKFBU-UHFFFAOYSA-N 1 0 387.274 2.691 20 0 GFADRO Cc1cc([C@H]2CCCN2C(=O)CNC(=O)[C@@H]([NH3+])C(C)C)ccc1Br ZINC000563160879 565057432 /nfs/dbraw/zinc/05/74/32/565057432.db2.gz VGBOIIHTEGHDDR-WBVHZDCISA-N 1 0 396.329 2.521 20 0 GFADRO C[C@]1(F)C[NH2+]CCN(CCC(=O)Nc2ccc(Br)cc2F)C1 ZINC000563153639 565057443 /nfs/dbraw/zinc/05/74/43/565057443.db2.gz CAFXIPFGTYLLDM-HNNXBMFYSA-N 1 0 376.245 2.550 20 0 GFADRO COc1cc(Cl)c(-c2csc([C@@]3(NC(C)=O)CC[NH2+]C3)n2)cc1OC ZINC000563142216 565057624 /nfs/dbraw/zinc/05/76/24/565057624.db2.gz MUPSMNPJHWFPJF-QGZVFWFLSA-N 1 0 381.885 2.805 20 0 GFADRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)N[C@@H](CO)c2cccc(Br)c2)C1 ZINC000537608223 565060216 /nfs/dbraw/zinc/06/02/16/565060216.db2.gz AGPBTIVRQJXYNO-BBRMVZONSA-N 1 0 384.318 2.512 20 0 GFADRO O=C(C[NH2+][C@@H](c1ccc(Br)cc1)[C@@H]1CCCO1)NCC(F)F ZINC000684611551 565076657 /nfs/dbraw/zinc/07/66/57/565076657.db2.gz HDOYIXUXCBHAKX-WFASDCNBSA-N 1 0 377.229 2.640 20 0 GFADRO O=C(NCC[C@H]1CCC[NH2+]1)N1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000584341090 565076863 /nfs/dbraw/zinc/07/68/63/565076863.db2.gz SZRNRZDDOLBXMI-CVEARBPZSA-N 1 0 382.302 2.674 20 0 GFADRO C[C@@H]1[NH2+]CC[C@@H]1C(=O)NC1CCN(Cc2ccc(Br)cc2)CC1 ZINC000584349438 565076965 /nfs/dbraw/zinc/07/69/65/565076965.db2.gz VBZITOXPZLVCOO-GUYCJALGSA-N 1 0 380.330 2.528 20 0 GFADRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000584349073 565076995 /nfs/dbraw/zinc/07/69/95/565076995.db2.gz BAFAQLNMVLUYLT-VXGBXAGGSA-N 1 0 387.311 2.587 20 0 GFADRO O[C@H](C[NH2+]C[C@H]1COc2ccccc21)COc1ccc(Br)cc1 ZINC000584406646 565079100 /nfs/dbraw/zinc/07/91/00/565079100.db2.gz WVLPPZQVGMZUAA-DZGCQCFKSA-N 1 0 378.266 2.955 20 0 GFADRO O=C(C1CC[NH2+]CC1)N(CCn1ccnc1)Cc1ccccc1Br ZINC000584409220 565079373 /nfs/dbraw/zinc/07/93/73/565079373.db2.gz SFJSYLNFLCSQBR-UHFFFAOYSA-N 1 0 391.313 2.674 20 0 GFADRO O=C(CC[NH2+][C@H]1CC(=O)N2CCCC[C@@H]12)Nc1cccc(Br)c1 ZINC000584465385 565081752 /nfs/dbraw/zinc/08/17/52/565081752.db2.gz GCSNGRBGQVNRRR-GJZGRUSLSA-N 1 0 380.286 2.521 20 0 GFADRO C[NH+](C)CC1(NC(=O)c2cc(=O)[nH]c3c(Br)cccc23)CCC1 ZINC000684942632 565090563 /nfs/dbraw/zinc/09/05/63/565090563.db2.gz ROOMWTLJTDGXSW-UHFFFAOYSA-N 1 0 378.270 2.917 20 0 GFADRO COCC[C@H](Cc1cccc(Br)c1)C(=O)N1CCC2(C[NH+](C)C2)C1 ZINC000614039031 565091440 /nfs/dbraw/zinc/09/14/40/565091440.db2.gz KFICXGYWYZXHKL-MRXNPFEDSA-N 1 0 395.341 2.808 20 0 GFADRO C[NH+](C)[C@@H]1C[C@H](NC(=O)[C@@H]2CCO[C@H]2c2cncc(Br)c2)C1(C)C ZINC000636123598 565091373 /nfs/dbraw/zinc/09/13/73/565091373.db2.gz XMWCMWMSJTYJPX-QXSJWSMHSA-N 1 0 396.329 2.767 20 0 GFADRO OC[C@H](C[NH2+]Cc1cn(C2CCC2)nn1)Cc1cccc(Br)c1 ZINC000657448872 565101873 /nfs/dbraw/zinc/10/18/73/565101873.db2.gz NMGZUXQLFLRZOV-AWEZNQCLSA-N 1 0 379.302 2.706 20 0 GFADRO Cc1c(Br)cccc1C[C@H](CO)C[NH2+]Cc1cc2n(n1)CCC2 ZINC000657484976 565103212 /nfs/dbraw/zinc/10/32/12/565103212.db2.gz HQYJTWTZPQPNIZ-AWEZNQCLSA-N 1 0 378.314 2.841 20 0 GFADRO Cc1cc(C[NH2+]CCNS(=O)(=O)c2ccc(Cl)cc2F)cc(C)c1O ZINC000685431159 565106056 /nfs/dbraw/zinc/10/60/56/565106056.db2.gz LDVPGLSQBZVRLQ-UHFFFAOYSA-N 1 0 386.876 2.870 20 0 GFADRO CO[C@@H](C[NH2+]Cc1cc(Br)c2c(c1)OCCCO2)[C@H]1CCOC1 ZINC000657544838 565107462 /nfs/dbraw/zinc/10/74/62/565107462.db2.gz QEWUUEZBPWJPFT-BBRMVZONSA-N 1 0 386.286 2.752 20 0 GFADRO O=C(NCC[NH2+][C@@H]1CCC[C@@H]([C@@H]2CCOC2)C1)c1ccc(Br)cn1 ZINC000657564695 565108672 /nfs/dbraw/zinc/10/86/72/565108672.db2.gz VSSCPVVQGWLJHI-IIAWOOMASA-N 1 0 396.329 2.759 20 0 GFADRO OCCO[C@]1(C[NH2+]Cc2cc(Br)cc(C(F)(F)F)c2)CCOC1 ZINC000657599033 565111176 /nfs/dbraw/zinc/11/11/76/565111176.db2.gz YUXYPEMLEXKGJT-AWEZNQCLSA-N 1 0 398.219 2.726 20 0 GFADRO CO[C@](C)(C[NH2+]Cc1c(Br)cnn1C)COCc1ccccc1 ZINC000657592308 565111937 /nfs/dbraw/zinc/11/19/37/565111937.db2.gz SFWUGGWMNMEPKD-QGZVFWFLSA-N 1 0 382.302 2.894 20 0 GFADRO O=C(Cc1ccc(Br)s1)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000614437233 565112216 /nfs/dbraw/zinc/11/22/16/565112216.db2.gz DLAGPYCOCUPQER-ZDUSSCGKSA-N 1 0 387.343 2.766 20 0 GFADRO O=C(Cc1cc(Br)ccc1F)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000614438426 565112357 /nfs/dbraw/zinc/11/23/57/565112357.db2.gz RDJNTNXDLFAGRK-MRXNPFEDSA-N 1 0 399.304 2.844 20 0 GFADRO CCC[N@H+](CC)C[C@@H](C)NS(=O)(=O)c1cc(Br)ccc1OC ZINC000685610439 565116320 /nfs/dbraw/zinc/11/63/20/565116320.db2.gz VCDMIBLLTBMQKT-GFCCVEGCSA-N 1 0 393.347 2.856 20 0 GFADRO COCCOCCNC(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000636591653 565116395 /nfs/dbraw/zinc/11/63/95/565116395.db2.gz MYVJYHDRMGOCMA-OAHLLOKOSA-N 1 0 378.300 2.558 20 0 GFADRO C[NH+](C)C[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Br)cc1 ZINC000614634223 565124535 /nfs/dbraw/zinc/12/45/35/565124535.db2.gz ZYUFOPAZCNREHT-INIZCTEOSA-N 1 0 397.338 2.900 20 0 GFADRO COc1ccc(CCC(=O)N[C@@H]2CCc3cncn3C2)c(Br)c1 ZINC000614703714 565129122 /nfs/dbraw/zinc/12/91/22/565129122.db2.gz YRVFZQHZDWSHIE-CYBMUJFWSA-N 1 0 378.270 2.718 20 0 GFADRO CC(C)[C@@H]([NH2+]CCCNS(C)(=O)=O)c1cc(F)cc(Br)c1 ZINC000657827115 565132463 /nfs/dbraw/zinc/13/24/63/565132463.db2.gz KSQCJTMTUWGEQX-CQSZACIVSA-N 1 0 381.311 2.814 20 0 GFADRO Cc1c(F)c(Br)ccc1NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000657840873 565132484 /nfs/dbraw/zinc/13/24/84/565132484.db2.gz XKCTVZIUZBJATF-LBPRGKRZSA-N 1 0 398.276 2.530 20 0 GFADRO O=C(NC[C@@H]1CCCC[NH2+]1)N[C@H](CO)c1ccc(Cl)cc1C(F)(F)F ZINC000636988473 565133738 /nfs/dbraw/zinc/13/37/38/565133738.db2.gz JUVLMCYCDLNTNY-SMDDNHRTSA-N 1 0 379.810 2.834 20 0 GFADRO CC[C@H](Cc1ccc(Br)cc1)[NH2+]C[C@@H]1CC[C@H](C(=O)N(C)C)O1 ZINC000657939267 565138590 /nfs/dbraw/zinc/13/85/90/565138590.db2.gz WYFFDXXIAINWHV-IXDOHACOSA-N 1 0 383.330 2.996 20 0 GFADRO CC(C)[N@H+](C)C[C@@H](C)NC(=O)C(=O)Nc1ccc(F)c(Br)c1F ZINC000657959351 565140922 /nfs/dbraw/zinc/14/09/22/565140922.db2.gz GOBQVDQIAVTFOA-SECBINFHSA-N 1 0 392.244 2.511 20 0 GFADRO COc1cc(Cl)ccc1S(=O)(=O)N1C[C@@H]([NH+]2CCCC2)[C@@H](SC)C1 ZINC000614987196 565141296 /nfs/dbraw/zinc/14/12/96/565141296.db2.gz HFHQBALFSPUPTP-HIFRSBDPSA-N 1 0 390.958 2.549 20 0 GFADRO COC[C@@H](CC1CCOCC1)[NH2+]Cc1ccc(S(C)(=O)=O)c(Cl)c1 ZINC000657991761 565143651 /nfs/dbraw/zinc/14/36/51/565143651.db2.gz YGHVZBAAUWCAIP-OAHLLOKOSA-N 1 0 375.918 2.665 20 0 GFADRO O=C1[C@H]([NH2+][C@@H]2CCCn3nccc32)CCN1c1cccc(Br)c1 ZINC000657993340 565143778 /nfs/dbraw/zinc/14/37/78/565143778.db2.gz BNWGMNCIHOQMEJ-HUUCEWRRSA-N 1 0 375.270 2.876 20 0 GFADRO COCC[N@H+](C)CCNC(=O)CCSc1ccccc1Br ZINC000588936623 565144939 /nfs/dbraw/zinc/14/49/39/565144939.db2.gz HMXUIDAESAJKFY-UHFFFAOYSA-N 1 0 375.332 2.626 20 0 GFADRO COc1cccc2c1CC[C@H]2[NH2+]CCNC(=O)c1ccc(Br)cn1 ZINC000658091790 565148768 /nfs/dbraw/zinc/14/87/68/565148768.db2.gz IBIOKZUAHPQUAU-OAHLLOKOSA-N 1 0 390.281 2.860 20 0 GFADRO COc1cccc([C@H](C)[NH2+]CCNC(=O)c2ccc(Br)cn2)c1 ZINC000658091569 565149176 /nfs/dbraw/zinc/14/91/76/565149176.db2.gz GEPFBVDICUQNAV-LBPRGKRZSA-N 1 0 378.270 2.933 20 0 GFADRO CCn1cc(CNC(=O)N[C@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)nn1 ZINC000637273192 565149245 /nfs/dbraw/zinc/14/92/45/565149245.db2.gz ZGFDKHJDMSHPGA-OAHLLOKOSA-N 1 0 385.299 2.707 20 0 GFADRO C[N@@H+]1C[C@H]2CCN(C(=O)c3cc(Br)cc(N4CCCC4)c3)[C@H]2C1 ZINC000615181589 565149440 /nfs/dbraw/zinc/14/94/40/565149440.db2.gz BRQWJLFDLTWIPQ-DYVFJYSZSA-N 1 0 378.314 2.825 20 0 GFADRO COc1cccc(OC)c1C[NH2+][C@H](C)Cn1cc(Br)ccc1=O ZINC000658118988 565150589 /nfs/dbraw/zinc/15/05/89/565150589.db2.gz LRJMAXARJYRWAO-GFCCVEGCSA-N 1 0 381.270 2.806 20 0 GFADRO C[N@@H+]1C[C@H]2CCN(C(=O)c3c(F)c(F)c(Br)c(F)c3F)[C@H]2C1 ZINC000615187890 565151209 /nfs/dbraw/zinc/15/12/09/565151209.db2.gz RIERKCHGCXIDEJ-RQJHMYQMSA-N 1 0 381.167 2.782 20 0 GFADRO Cc1ccc(NC(=O)C(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)c(Br)c1 ZINC000658122302 565151507 /nfs/dbraw/zinc/15/15/07/565151507.db2.gz UFACNBARJZGKQF-GFCCVEGCSA-N 1 0 382.302 2.685 20 0 GFADRO OCCO[C@]1(C[NH2+][C@H]2CCCOc3c(Cl)c(Cl)ccc32)CCOC1 ZINC000658147734 565153148 /nfs/dbraw/zinc/15/31/48/565153148.db2.gz FPGGMNTWPWTSFL-YOEHRIQHSA-N 1 0 376.280 2.965 20 0 GFADRO C[C@H](C(=O)N1CCOC[C@@H]1[C@@H]1CCC[N@@H+]1C)c1cccc(Br)c1 ZINC000615268677 565154089 /nfs/dbraw/zinc/15/40/89/565154089.db2.gz WYRUXOOUSAURQZ-RRQGHBQHSA-N 1 0 381.314 2.874 20 0 GFADRO Fc1ccc(I)c(F)c1CN1CC[NH+]2CCC1CC2 ZINC000589197288 565155120 /nfs/dbraw/zinc/15/51/20/565155120.db2.gz LQZHASLCJXDFDW-UHFFFAOYSA-N 1 0 378.204 2.849 20 0 GFADRO C[N@@H+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)c1cc(Br)c(F)cc1F ZINC000615271472 565155266 /nfs/dbraw/zinc/15/52/66/565155266.db2.gz XOMVSOVUOQPUNE-CABCVRRESA-N 1 0 389.240 2.663 20 0 GFADRO C[C@@H]([NH2+]C[C@@]1(C)CC1(F)F)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000658222404 565155758 /nfs/dbraw/zinc/15/57/58/565155758.db2.gz NPNMEMDNOCALTJ-PRHODGIISA-N 1 0 383.258 2.792 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000658262425 565157449 /nfs/dbraw/zinc/15/74/49/565157449.db2.gz URPSQDLAVSDWSM-CYBMUJFWSA-N 1 0 382.302 2.685 20 0 GFADRO C[C@H]1CC(=O)NCCN1C(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000637471993 565158607 /nfs/dbraw/zinc/15/86/07/565158607.db2.gz CRVVLIJMVAYQKO-XHDPSFHLSA-N 1 0 387.311 2.516 20 0 GFADRO C[N@@H+]1CCC[C@]2(CCN(C(=O)c3cc(Br)cc4c3OCCO4)C2)C1 ZINC000615355111 565159219 /nfs/dbraw/zinc/15/92/19/565159219.db2.gz CTVSDAQOFZPCHC-SFHVURJKSA-N 1 0 395.297 2.778 20 0 GFADRO Cc1cn2c(CNC(=O)C3CC[NH+]([C@H]4CCSC4)CC3)c(C)nc2s1 ZINC000615397001 565160478 /nfs/dbraw/zinc/16/04/78/565160478.db2.gz NHFXASLSOKABOH-HNNXBMFYSA-N 1 0 378.567 2.846 20 0 GFADRO CCCOc1ccc(Br)cc1S(=O)(=O)N1CCC(C[NH3+])CC1 ZINC000658363755 565160995 /nfs/dbraw/zinc/16/09/95/565160995.db2.gz UIKXVLOFSKDBOK-UHFFFAOYSA-N 1 0 391.331 2.597 20 0 GFADRO CCN(C(=O)C(=O)Nc1ccc(C(F)(F)F)cc1Cl)[C@@H]1CC[N@H+](C)C1 ZINC000658359059 565161233 /nfs/dbraw/zinc/16/12/33/565161233.db2.gz DIQAHLPGMDYPAI-LLVKDONJSA-N 1 0 377.794 2.850 20 0 GFADRO C[C@@H]([NH3+])CNS(=O)(=O)c1ccc(OCc2ccccc2)c(Br)c1 ZINC000658375259 565163650 /nfs/dbraw/zinc/16/36/50/565163650.db2.gz CYXOYUZOJOPTNT-GFCCVEGCSA-N 1 0 399.310 2.654 20 0 GFADRO CC[C@H]1CN(S(=O)(=O)c2cc(Cl)ccc2OC(F)(F)F)CC[C@H]1[NH3+] ZINC000658377172 565163659 /nfs/dbraw/zinc/16/36/59/565163659.db2.gz XVLARMUDBCGGOA-GXSJLCMTSA-N 1 0 386.823 2.987 20 0 GFADRO C[N@H+]1CC=C(CNC(=O)N[C@@H]2[C@H]3Cc4c(cccc4Br)[C@@H]23)CC1 ZINC000637599640 565164301 /nfs/dbraw/zinc/16/43/01/565164301.db2.gz HYHZUEWFOKMFSD-USXIJHARSA-N 1 0 376.298 2.648 20 0 GFADRO COCC[C@@H](Cc1cccc(Br)c1)C(=O)N1CC(C[NH+](C)C)C1 ZINC000615508746 565164400 /nfs/dbraw/zinc/16/44/00/565164400.db2.gz BHUBNYKTNUADRV-INIZCTEOSA-N 1 0 383.330 2.664 20 0 GFADRO O=S(=O)(c1cc(Cl)ccc1OC(F)(F)F)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000658380299 565164857 /nfs/dbraw/zinc/16/48/57/565164857.db2.gz MWSFYKHRJQTEAG-ONGXEEELSA-N 1 0 384.807 2.611 20 0 GFADRO C[NH+](C)C[C@@H]1CCN(C(=O)N[C@@H]2[C@@H]3Cc4c(cccc4Br)[C@@H]32)C1 ZINC000637602557 565165366 /nfs/dbraw/zinc/16/53/66/565165366.db2.gz WCMCHSJMGFJWIB-WGHIXYSZSA-N 1 0 378.314 2.680 20 0 GFADRO C[C@H]1CCCN(S(=O)(=O)Cc2cc(F)ccc2Br)[C@@H]1CC[NH3+] ZINC000658384206 565165924 /nfs/dbraw/zinc/16/59/24/565165924.db2.gz VICHGVMKNDVICH-XHDPSFHLSA-N 1 0 393.322 2.867 20 0 GFADRO O=S(=O)(c1ccccc1Br)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000658385089 565166064 /nfs/dbraw/zinc/16/60/64/565166064.db2.gz UWUYAUQHIQVEHR-AWEZNQCLSA-N 1 0 387.343 2.849 20 0 GFADRO O=S(=O)(c1ccc(Br)cc1)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000658387348 565166765 /nfs/dbraw/zinc/16/67/65/565166765.db2.gz PHNSCHZNRGYNBH-AWEZNQCLSA-N 1 0 387.343 2.849 20 0 GFADRO COCc1cc(Cl)cc(S(=O)(=O)N2CCC[C@H](C3CC[NH2+]CC3)C2)c1 ZINC000658386173 565167074 /nfs/dbraw/zinc/16/70/74/565167074.db2.gz DNZPDZNLMSCZGT-INIZCTEOSA-N 1 0 386.945 2.887 20 0 GFADRO C[NH+](C)C[C@H]1CCN(C(=O)N[C@@H]2[C@H]3Cc4cc(Br)ccc4[C@@H]23)C1 ZINC000637651181 565167619 /nfs/dbraw/zinc/16/76/19/565167619.db2.gz UUUIIFOOZNVOHJ-GLZXHMCRSA-N 1 0 378.314 2.680 20 0 GFADRO Cc1c2cc(C(=O)N[C@H]3CCC[N@H+](CCCO)C3)[nH]c2ccc1Br ZINC000615660790 565169034 /nfs/dbraw/zinc/16/90/34/565169034.db2.gz ZCCJHODDTRGFHK-ZDUSSCGKSA-N 1 0 394.313 2.815 20 0 GFADRO CN(Cc1c(Cl)cccc1Cl)C(=O)C(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000658475713 565172809 /nfs/dbraw/zinc/17/28/09/565172809.db2.gz BXJRTTLICGNJSD-LBPRGKRZSA-N 1 0 386.323 2.941 20 0 GFADRO O[C@@]1(C(F)(F)F)CC[C@H]([NH2+]Cc2ncc(I)s2)C1 ZINC000589938327 565173784 /nfs/dbraw/zinc/17/37/84/565173784.db2.gz MRAIPPGEENJQTD-RCOVLWMOSA-N 1 0 392.184 2.683 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NCc2ccc(Cl)c(Cl)c2)[C@@H](C)C1 ZINC000658616434 565178053 /nfs/dbraw/zinc/17/80/53/565178053.db2.gz RSOWEQBUERQWDA-BLLLJJGKSA-N 1 0 386.323 2.798 20 0 GFADRO COc1cccc([C@@H]([NH3+])C(=O)N2CCC(n3cc(Br)cn3)CC2)c1 ZINC000637990074 565180693 /nfs/dbraw/zinc/18/06/93/565180693.db2.gz FEFCJDLDPTZVQA-MRXNPFEDSA-N 1 0 393.285 2.518 20 0 GFADRO NS(=O)(=O)c1ccc(C[N@@H+](Cc2ccccc2)CC2CCOCC2)s1 ZINC000638068588 565183818 /nfs/dbraw/zinc/18/38/18/565183818.db2.gz JAIZALIORSDZKR-UHFFFAOYSA-N 1 0 380.535 2.824 20 0 GFADRO CC[C@H]1C[N@H+](C)CCCN1C(=O)Cc1ccc(I)cc1 ZINC000590344410 565184291 /nfs/dbraw/zinc/18/42/91/565184291.db2.gz KSXKKIPRMOTLCT-HNNXBMFYSA-N 1 0 386.277 2.776 20 0 GFADRO C[NH+]1CCC2(CCN(C(=O)c3cccc(I)c3)C2)CC1 ZINC000590376339 565185815 /nfs/dbraw/zinc/18/58/15/565185815.db2.gz WOCOPWWLRMIGLZ-UHFFFAOYSA-N 1 0 384.261 2.849 20 0 GFADRO CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2nc(-c3ccc(C)s3)cs2)C1 ZINC000658779870 565187935 /nfs/dbraw/zinc/18/79/35/565187935.db2.gz WTRZPNHKLFNAJL-GFCCVEGCSA-N 1 0 378.523 2.719 20 0 GFADRO COCC1(CNC(=O)c2oc3ccccc3c2Br)CC[NH2+]CC1 ZINC000638224897 565188975 /nfs/dbraw/zinc/18/89/75/565188975.db2.gz PNZIIOPHGZAIHD-UHFFFAOYSA-N 1 0 381.270 2.941 20 0 GFADRO O=C(c1cc(Br)c2nccn2c1)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000638250336 565189980 /nfs/dbraw/zinc/18/99/80/565189980.db2.gz GPFTUALDRAQVFL-KGLIPLIRSA-N 1 0 391.313 2.949 20 0 GFADRO O=C(c1cc(Br)c2nccn2c1)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000638250335 565190062 /nfs/dbraw/zinc/19/00/62/565190062.db2.gz GPFTUALDRAQVFL-KBPBESRZSA-N 1 0 391.313 2.949 20 0 GFADRO COc1nsc(CNCCC[NH+]2C[C@@H](C)O[C@H](C)C2)c1Br ZINC000638320114 565192863 /nfs/dbraw/zinc/19/28/63/565192863.db2.gz WNOKALGSGWBZAI-GHMZBOCLSA-N 1 0 378.336 2.503 20 0 GFADRO O=C(NC1CCC(N2CC[NH2+]CC2)CC1)c1sc2ncccc2c1Cl ZINC000638334380 565192975 /nfs/dbraw/zinc/19/29/75/565192975.db2.gz BWJYWIZUCMHCAD-UHFFFAOYSA-N 1 0 378.929 2.896 20 0 GFADRO CC(C)(C[NH+]1CCCC1)NC(=O)c1cc(Br)cc2c1OCCO2 ZINC000616153891 565193056 /nfs/dbraw/zinc/19/30/56/565193056.db2.gz KJEXOYFHDIFDML-UHFFFAOYSA-N 1 0 383.286 2.825 20 0 GFADRO COCC[NH2+]C1CCN(C(=O)[C@H]2C[C@@]2(C)c2cccc(Br)c2)CC1 ZINC000638385397 565193586 /nfs/dbraw/zinc/19/35/86/565193586.db2.gz CZJNHZVHPHALQU-MJGOQNOKSA-N 1 0 395.341 2.954 20 0 GFADRO CSc1ccc(NC(=O)c2cn(C3CC[NH2+]CC3)nn2)cc1Br ZINC000638467570 565197676 /nfs/dbraw/zinc/19/76/76/565197676.db2.gz MXJKANSMJVHNAW-UHFFFAOYSA-N 1 0 396.314 2.939 20 0 GFADRO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)Cc1c(Cl)cccc1Br ZINC000616341238 565198322 /nfs/dbraw/zinc/19/83/22/565198322.db2.gz MRZVDDKULXKYMY-NWDGAFQWSA-N 1 0 389.721 2.559 20 0 GFADRO COc1cccc2c1OC[C@H]([NH2+]Cc1cnn3cc(Br)cnc13)C2 ZINC000638518726 565200216 /nfs/dbraw/zinc/20/02/16/565200216.db2.gz IPCCCVBIXBXHAJ-CQSZACIVSA-N 1 0 389.253 2.594 20 0 GFADRO Cc1cc(Br)cc(Cl)c1NC(=O)C(=O)NCC[C@@H]([NH3+])C(C)C ZINC000659108763 565201542 /nfs/dbraw/zinc/20/15/42/565201542.db2.gz WIYQQTMCPGYTAH-GFCCVEGCSA-N 1 0 390.709 2.839 20 0 GFADRO COCCSc1ccc([C@@H](C)[NH2+]Cc2ccc(S(N)(=O)=O)s2)cc1 ZINC000638538884 565201514 /nfs/dbraw/zinc/20/15/14/565201514.db2.gz XQJSDZMUVFFTFB-GFCCVEGCSA-N 1 0 386.564 2.985 20 0 GFADRO C[NH2+]Cc1cccc(NC(=O)C(=O)NCc2sc(C)cc2Br)c1 ZINC000659104136 565201617 /nfs/dbraw/zinc/20/16/17/565201617.db2.gz WPCUKSOPJHDKLN-UHFFFAOYSA-N 1 0 396.310 2.793 20 0 GFADRO CC(C)c1n[nH]c(C(=O)N2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1Br ZINC000638551775 565201794 /nfs/dbraw/zinc/20/17/94/565201794.db2.gz VLGFBOBFKHNBDO-DTWKUNHWSA-N 1 0 397.239 2.895 20 0 GFADRO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)Nc1ccc(-c2ccc(Cl)s2)nc1 ZINC000659105960 565201896 /nfs/dbraw/zinc/20/18/96/565201896.db2.gz BGWIXGVEFCCHHB-GFCCVEGCSA-N 1 0 380.901 2.892 20 0 GFADRO C[NH2+]CCOCCN(C)C(=O)c1sc2nc(C(F)(F)F)ccc2c1C ZINC000638587360 565203206 /nfs/dbraw/zinc/20/32/06/565203206.db2.gz MZBNPWMFZUHXII-UHFFFAOYSA-N 1 0 375.416 2.932 20 0 GFADRO COc1cc(C[NH2+]C[C@@H](OC)C2CCOCC2)cc(Br)c1OC ZINC000638572845 565203438 /nfs/dbraw/zinc/20/34/38/565203438.db2.gz DVABAGTYQVJUGC-MRXNPFEDSA-N 1 0 388.302 2.998 20 0 GFADRO C[C@@H]([NH2+][C@@H](C)c1ccc(F)c(I)c1)[C@H]1CN(C)CCO1 ZINC000590778298 565204210 /nfs/dbraw/zinc/20/42/10/565204210.db2.gz SUVWMYHSENQOTH-FIXISWKDSA-N 1 0 392.256 2.800 20 0 GFADRO CCOc1ccc(Br)cc1S(=O)(=O)N(C)CC[NH+]1CCCC1 ZINC000590796178 565204481 /nfs/dbraw/zinc/20/44/81/565204481.db2.gz HNGKJZCCJPJBIG-UHFFFAOYSA-N 1 0 391.331 2.564 20 0 GFADRO CCO[C@H]1C[C@]([NH3+])(C(=O)NCc2ccc(Br)c(F)c2F)C1(C)C ZINC000638598615 565204557 /nfs/dbraw/zinc/20/45/57/565204557.db2.gz AHNWNDSDOGMQKI-ZBEGNZNMSA-N 1 0 391.256 2.876 20 0 GFADRO C[C@@H]1CC[C@H](NC(=O)CCc2nc(-c3cc(Br)cs3)no2)C[NH2+]1 ZINC000638648734 565205189 /nfs/dbraw/zinc/20/51/89/565205189.db2.gz NPJVRQAETSTVMK-KOLCDFICSA-N 1 0 399.314 2.750 20 0 GFADRO COc1nsc(C[NH2+]CC(C)(C)N2CCC(OC)CC2)c1Br ZINC000638636570 565205962 /nfs/dbraw/zinc/20/59/62/565205962.db2.gz DGSMSDGXJFJXEO-UHFFFAOYSA-N 1 0 392.363 2.893 20 0 GFADRO COc1cc(C[NH2+][C@H]2CCN(S(=O)(=O)C(C)C)C[C@@H]2C)c(Cl)cc1O ZINC000638691721 565206468 /nfs/dbraw/zinc/20/64/68/565206468.db2.gz JGZGSDBAQXUVNZ-WFASDCNBSA-N 1 0 390.933 2.592 20 0 GFADRO COc1nsc(C[NH2+]CCCOCC2CCOCC2)c1Br ZINC000638678062 565206587 /nfs/dbraw/zinc/20/65/87/565206587.db2.gz JMFXIZKRUITFJW-UHFFFAOYSA-N 1 0 379.320 2.837 20 0 GFADRO COc1cc(C[NH2+][C@@H]2CCN(S(=O)(=O)C(C)C)C[C@H]2C)c(Cl)cc1O ZINC000638691719 565207292 /nfs/dbraw/zinc/20/72/92/565207292.db2.gz JGZGSDBAQXUVNZ-IUODEOHRSA-N 1 0 390.933 2.592 20 0 GFADRO COC(=O)[C@@H](c1ccc(Cl)c(Cl)c1)N1CC[NH+](C(C)(C)CO)CC1 ZINC000616765479 565208216 /nfs/dbraw/zinc/20/82/16/565208216.db2.gz UXEZKBBQCDQTQA-OAHLLOKOSA-N 1 0 375.296 2.596 20 0 GFADRO O=C(Cc1ccc(Br)cc1)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000638775451 565210642 /nfs/dbraw/zinc/21/06/42/565210642.db2.gz GRQIOTCPMLNIGK-QGZVFWFLSA-N 1 0 381.314 2.609 20 0 GFADRO O=C(c1ccc(F)cc1Br)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000638778667 565210790 /nfs/dbraw/zinc/21/07/90/565210790.db2.gz NPKHKHHUKGJFRI-AWEZNQCLSA-N 1 0 385.277 2.819 20 0 GFADRO CC(C)c1n[nH]c(C(=O)N2CCC(CO[C@H]3CC[NH2+]C3)CC2)c1Br ZINC000638781360 565211785 /nfs/dbraw/zinc/21/17/85/565211785.db2.gz CPXHVESGCNZVAY-ZDUSSCGKSA-N 1 0 399.333 2.526 20 0 GFADRO O=C(c1cc(-c2cccc(Br)c2)no1)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000659313464 565212037 /nfs/dbraw/zinc/21/20/37/565212037.db2.gz DWPHEQXJGRHHNW-SWLSCSKDSA-N 1 0 376.254 2.928 20 0 GFADRO COc1ccc(C(=O)N2CCC(CO[C@@H]3CC[NH2+]C3)CC2)c(Br)c1 ZINC000638781576 565212216 /nfs/dbraw/zinc/21/22/16/565212216.db2.gz GCBKCRVZNMYCIH-OAHLLOKOSA-N 1 0 397.313 2.688 20 0 GFADRO CN(CCC(=O)N[C@@](C)(CO)c1ccc(Br)cc1)c1cc[nH+]cc1 ZINC000616832812 565212577 /nfs/dbraw/zinc/21/25/77/565212577.db2.gz WESASWUWJALUSU-SFHVURJKSA-N 1 0 392.297 2.694 20 0 GFADRO COC(=O)[C@H]1CSCC[N@H+](C[C@H](O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000591059616 565213996 /nfs/dbraw/zinc/21/39/96/565213996.db2.gz IHLOZGOUBAUMPG-NEPJUHHUSA-N 1 0 394.320 2.571 20 0 GFADRO O=C(CC[NH2+]C1CC1)N1CC2(CCOCC2)c2ccc(Br)cc21 ZINC000638842278 565214541 /nfs/dbraw/zinc/21/45/41/565214541.db2.gz NRLNPPNYYDVATQ-UHFFFAOYSA-N 1 0 379.298 2.986 20 0 GFADRO Nc1cc[nH+]cc1C(=O)N1CC2(CCOCC2)c2ccc(Br)cc21 ZINC000638842049 565214591 /nfs/dbraw/zinc/21/45/91/565214591.db2.gz KLVXDDXYBOSUIN-UHFFFAOYSA-N 1 0 388.265 2.965 20 0 GFADRO CN(C)c1ncc(Br)cc1C(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000616994842 565218350 /nfs/dbraw/zinc/21/83/50/565218350.db2.gz GIUMAGMDYXWTAE-GFCCVEGCSA-N 1 0 383.334 2.760 20 0 GFADRO CN(CC(C)(C)[NH3+])C(=O)NCCCOc1ncc(C(F)(F)F)cc1Cl ZINC000659473993 565218432 /nfs/dbraw/zinc/21/84/32/565218432.db2.gz OUASIEXQYRIWPX-UHFFFAOYSA-N 1 0 382.814 2.901 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)c2cc(Br)cc3[nH]c(=O)[nH]c32)C1 ZINC000617002415 565218524 /nfs/dbraw/zinc/21/85/24/565218524.db2.gz GHLUAIPIKSMNHF-JTQLQIEISA-N 1 0 395.301 2.881 20 0 GFADRO [NH3+]C[C@H]1CC[C@H](NC(=O)c2ncc(Br)cc2Br)CC1 ZINC000638950912 565218782 /nfs/dbraw/zinc/21/87/82/565218782.db2.gz ZIKYXMOTIBFTJW-CZMCAQCFSA-N 1 0 391.107 2.854 20 0 GFADRO O=C(N[C@@H]1[C@H]2Cc3cc(Br)ccc3[C@@H]12)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000638942414 565218926 /nfs/dbraw/zinc/21/89/26/565218926.db2.gz HNDHRACAVONGFU-JLNYLFASSA-N 1 0 389.215 2.745 20 0 GFADRO [NH3+]C1CCC(NC(=O)N2CCN(c3ccc(Br)cc3)CC2)CC1 ZINC000659519546 565219487 /nfs/dbraw/zinc/21/94/87/565219487.db2.gz RUEIRWVHSZYDGE-UHFFFAOYSA-N 1 0 381.318 2.551 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)c1cc(=O)c2cc(Br)ccc2[nH]1 ZINC000617013567 565219628 /nfs/dbraw/zinc/21/96/28/565219628.db2.gz WWIGISLCAFTVIR-GFCCVEGCSA-N 1 0 392.297 2.893 20 0 GFADRO O=C(NCc1cc(Cl)cc(Cl)c1)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000659537013 565219891 /nfs/dbraw/zinc/21/98/91/565219891.db2.gz CFGJFZAEZSXAGB-CYBMUJFWSA-N 1 0 399.244 2.629 20 0 GFADRO COc1ccc(Br)cc1C(=O)Nc1cc(N2CC[NH2+]CC2)ccn1 ZINC000638985796 565219947 /nfs/dbraw/zinc/21/99/47/565219947.db2.gz GLIBYACBICPVPO-UHFFFAOYSA-N 1 0 391.269 2.515 20 0 GFADRO O=C(N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)N1CCc2sc(Br)cc2C1 ZINC000659557572 565220558 /nfs/dbraw/zinc/22/05/58/565220558.db2.gz SBEWOOZBXZOEBI-NTZNESFSSA-N 1 0 384.343 2.966 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)N[C@@H]2CCCCc3cc(Br)ccc32)CCO1 ZINC000659627766 565221082 /nfs/dbraw/zinc/22/10/82/565221082.db2.gz ITVDSFCWTNAQST-GDBMZVCRSA-N 1 0 382.302 2.586 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)NC(CCC(F)(F)F)CCC(F)(F)F)CCCO1 ZINC000659604468 565221197 /nfs/dbraw/zinc/22/11/97/565221197.db2.gz GNHGHTSEHSHWJA-NSHDSACASA-N 1 0 379.345 2.799 20 0 GFADRO COC(=O)c1cc(NC(=O)N(C)[C@H](C[NH3+])C2CC2)c(Br)cc1F ZINC000591287259 565221992 /nfs/dbraw/zinc/22/19/92/565221992.db2.gz JGQDHJRWZJAINV-CYBMUJFWSA-N 1 0 388.237 2.576 20 0 GFADRO COc1ccc(CCNC(=O)[C@@](C)([NH3+])c2ccc(Br)cc2)cc1O ZINC000639048160 565222000 /nfs/dbraw/zinc/22/20/00/565222000.db2.gz YGVIIIHDMPDJEE-SFHVURJKSA-N 1 0 393.281 2.696 20 0 GFADRO COC(=O)c1cc(NC(=O)N[C@H]2CCC[NH2+]CC2)c(C)cc1Br ZINC000591306844 565223907 /nfs/dbraw/zinc/22/39/07/565223907.db2.gz JXLDEESKMQCXDE-NSHDSACASA-N 1 0 384.274 2.808 20 0 GFADRO Cc1cc(I)cc(NC(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)c1 ZINC000591306835 565223948 /nfs/dbraw/zinc/22/39/48/565223948.db2.gz ONTKHKAGOVVWJD-RISCZKNCSA-N 1 0 385.249 2.815 20 0 GFADRO C[N@H+](CCNC(=O)CCNC(=O)c1ccc(Br)cc1)C1CCCC1 ZINC000591320078 565224246 /nfs/dbraw/zinc/22/42/46/565224246.db2.gz XVOOFQBETXJQTP-UHFFFAOYSA-N 1 0 396.329 2.560 20 0 GFADRO C[C@H](NC(=O)Cc1ccc(I)cc1)C1CC[NH+](C)CC1 ZINC000617163721 565224562 /nfs/dbraw/zinc/22/45/62/565224562.db2.gz MCJRFYSIXPGUNG-LBPRGKRZSA-N 1 0 386.277 2.680 20 0 GFADRO COC[C@@H](Cc1ccccc1)[N@H+](C)Cc1ccc(Cl)c(S(N)(=O)=O)c1 ZINC000639097079 565224814 /nfs/dbraw/zinc/22/48/14/565224814.db2.gz MRIKWJHBYKZMSN-MRXNPFEDSA-N 1 0 382.913 2.677 20 0 GFADRO CN1CC[C@H]([NH2+]C[C@H](CO)[C@@H]2CCOC2)C[C@H]1c1ccc(Br)cc1 ZINC000639129137 565226904 /nfs/dbraw/zinc/22/69/04/565226904.db2.gz QFZOLQXVKPVBLR-FPAYPSAMSA-N 1 0 397.357 2.819 20 0 GFADRO COc1ncc(Br)cc1CN1CCC[C@@H]1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000659855453 565227103 /nfs/dbraw/zinc/22/71/03/565227103.db2.gz DZYQTCGXNJYVIW-GRDNDAEWSA-N 1 0 398.345 2.926 20 0 GFADRO NS(=O)(=O)c1ccc(CN(Cc2cccnc2)C2CC2)cc1Br ZINC000639179602 565230571 /nfs/dbraw/zinc/23/05/71/565230571.db2.gz UUCASPTVOIXLQG-UHFFFAOYSA-N 1 0 396.310 2.656 20 0 GFADRO O=c1ccc(Br)cn1CC[NH2+]C[C@H]1CCN(c2ccccc2)C1 ZINC000639217489 565233764 /nfs/dbraw/zinc/23/37/64/565233764.db2.gz UIQIJVFNISXBEO-OAHLLOKOSA-N 1 0 376.298 2.727 20 0 GFADRO Cc1c(Br)cccc1C[C@H](CO)C[NH2+][C@H](C)C[C@H]1CCCC(=O)N1 ZINC000639238787 565234413 /nfs/dbraw/zinc/23/44/13/565234413.db2.gz XFBJSBVKFBUPCF-UKPHBRMFSA-N 1 0 397.357 2.945 20 0 GFADRO Cc1ccc(C[C@@H](CO)C[NH2+]CCCc2cnn(C)c2)cc1Br ZINC000639246568 565235224 /nfs/dbraw/zinc/23/52/24/565235224.db2.gz RUFCELMVILUJTO-QGZVFWFLSA-N 1 0 380.330 2.864 20 0 GFADRO CO[C@H](C[NH2+]C[C@@H](CO)Cc1ccc(C)c(Br)c1)[C@@H]1CCOC1 ZINC000639245885 565235319 /nfs/dbraw/zinc/23/53/19/565235319.db2.gz NHMRFPVWWNUEOU-LZLYRXPVSA-N 1 0 386.330 2.550 20 0 GFADRO CN1CC[C@H]([NH2+]C[C@@H]2CCCNC2=O)C[C@@H]1c1ccc(Br)cc1 ZINC000639260443 565236224 /nfs/dbraw/zinc/23/62/24/565236224.db2.gz UTKKVQFBXXAECD-BHYGNILZSA-N 1 0 380.330 2.700 20 0 GFADRO C[NH+](C)C[C@H]1CCCCN1S(=O)(=O)Cc1ccccc1Br ZINC000660009755 565237678 /nfs/dbraw/zinc/23/76/78/565237678.db2.gz ZYEIHJGPZAAWFL-CQSZACIVSA-N 1 0 375.332 2.695 20 0 GFADRO CC(=O)Nc1cc(F)c(S(=O)(=O)N2CCCC[C@H]2C[NH+](C)C)cc1Cl ZINC000660008454 565237886 /nfs/dbraw/zinc/23/78/86/565237886.db2.gz BUOODBXHAOIADG-LBPRGKRZSA-N 1 0 391.896 2.542 20 0 GFADRO CCC[N@@H+]1CC[C@H](NS(=O)(=O)c2cc(Br)ccc2OCC)C1 ZINC000660026327 565241028 /nfs/dbraw/zinc/24/10/28/565241028.db2.gz FLLMGGANNHGSBJ-ZDUSSCGKSA-N 1 0 391.331 2.610 20 0 GFADRO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)CCc1ccc(Br)cc1 ZINC000617505572 565242323 /nfs/dbraw/zinc/24/23/23/565242323.db2.gz INGRISZKJGNIPD-HNNXBMFYSA-N 1 0 384.362 2.770 20 0 GFADRO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)COc1ccc(Cl)cc1Cl ZINC000617503782 565242967 /nfs/dbraw/zinc/24/29/67/565242967.db2.gz YYHFOAQUSGQPJQ-ZDUSSCGKSA-N 1 0 376.328 2.760 20 0 GFADRO Cc1ccc(CC(=O)N[C@@H](C)CN(C)CCC[NH+](C)C)cc1Br ZINC000617506917 565244658 /nfs/dbraw/zinc/24/46/58/565244658.db2.gz CFQUGIFPRZNKCM-HNNXBMFYSA-N 1 0 384.362 2.688 20 0 GFADRO O[C@H](COc1cc(Cl)cc(Cl)c1)CN1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000639435684 565245268 /nfs/dbraw/zinc/24/52/68/565245268.db2.gz YLSKYCZVLDCDSN-DLBZAZTESA-N 1 0 389.323 2.530 20 0 GFADRO COC[C@H](C[NH+]1CCC(C(=O)Nc2cccc(Br)c2)CC1)OC ZINC000660055744 565245579 /nfs/dbraw/zinc/24/55/79/565245579.db2.gz ISYDJKIXYIVBLY-INIZCTEOSA-N 1 0 385.302 2.761 20 0 GFADRO COCCOC[C@@H]1CC[N@H+](C[C@H](O)COc2cc(Cl)cc(Cl)c2)C1 ZINC000639504056 565248185 /nfs/dbraw/zinc/24/81/85/565248185.db2.gz GJDGAPJIGXYVQU-CJNGLKHVSA-N 1 0 378.296 2.718 20 0 GFADRO CNC(=O)CC1CC[NH+](C[C@@H](O)COc2cc(Cl)cc(Cl)c2)CC1 ZINC000639506367 565248697 /nfs/dbraw/zinc/24/86/97/565248697.db2.gz BIIQYGKVBARJRZ-OAHLLOKOSA-N 1 0 375.296 2.581 20 0 GFADRO O=C(Nc1ccc(Br)cn1)[C@H]1CCC[N@H+](Cc2cc[nH]c(=O)c2)C1 ZINC000639523119 565249041 /nfs/dbraw/zinc/24/90/41/565249041.db2.gz VFAVZHBESAXHEV-ZDUSSCGKSA-N 1 0 391.269 2.795 20 0 GFADRO C[N@H+](CC[C@@H]1Sc2ccccc2NC1=O)[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000660083863 565250075 /nfs/dbraw/zinc/25/00/75/565250075.db2.gz VSJGMOMTPJFESH-XIRDDKMYSA-N 1 0 382.551 2.777 20 0 GFADRO O=C(Nc1ccc(Br)cc1F)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000617736631 565255735 /nfs/dbraw/zinc/25/57/35/565255735.db2.gz CQPACGLFGGIFOI-ZDUSSCGKSA-N 1 0 398.276 2.614 20 0 GFADRO FC(F)(F)c1cccnc1C[N@H+](CCN1CCOCC1)[C@@H]1CCSC1 ZINC000639770931 565258849 /nfs/dbraw/zinc/25/88/49/565258849.db2.gz SGNJFKIRRODWRL-CQSZACIVSA-N 1 0 375.460 2.740 20 0 GFADRO C[NH+](C)C[C@H]1COC2(CCCC2)CN1S(=O)(=O)c1cc(F)ccc1Cl ZINC000660151446 565260512 /nfs/dbraw/zinc/26/05/12/565260512.db2.gz SCSNGLFSIQEAFS-AWEZNQCLSA-N 1 0 390.908 2.743 20 0 GFADRO CC[N@@H+]1C[C@@H](C)N(CC(=O)c2c[nH]c3ncc(Br)cc23)C[C@@H]1C ZINC000660156017 565260733 /nfs/dbraw/zinc/26/07/33/565260733.db2.gz POICMQBEADSHDX-NWDGAFQWSA-N 1 0 379.302 2.923 20 0 GFADRO COC[C@H]([NH2+]C[C@@H](O)COc1cc(Cl)cc(Cl)c1)C1CCOCC1 ZINC000639784157 565261326 /nfs/dbraw/zinc/26/13/26/565261326.db2.gz JKQQULODPBFSAA-WBVHZDCISA-N 1 0 378.296 2.764 20 0 GFADRO C[N@H+](CC(=O)N[C@]1(Cc2ccc(Cl)cc2)CCCOC1)[C@@H]1CCSC1 ZINC000617838452 565262493 /nfs/dbraw/zinc/26/24/93/565262493.db2.gz SEYKIHAJYLCMFO-MJGOQNOKSA-N 1 0 382.957 2.985 20 0 GFADRO C[C@@H]1C[C@H](c2ccc(Br)cc2)C[N@@H+]1C[C@@H](O)CC1(O)CCOCC1 ZINC000639893252 565265683 /nfs/dbraw/zinc/26/56/83/565265683.db2.gz FGXHFPQHQABREI-HFTRVMKXSA-N 1 0 398.341 2.919 20 0 GFADRO C[C@@H]1C[C@@H](c2ccc(Br)cc2)C[N@@H+]1C[C@H](O)CC1(O)CCOCC1 ZINC000639893257 565266077 /nfs/dbraw/zinc/26/60/77/565266077.db2.gz FGXHFPQHQABREI-QGPMSJSTSA-N 1 0 398.341 2.919 20 0 GFADRO [NH3+]C1(CC(=O)NCc2ccc(I)c(Cl)c2)CCC1 ZINC000592276411 565266170 /nfs/dbraw/zinc/26/61/70/565266170.db2.gz FFDFCSBMWKKXGM-UHFFFAOYSA-N 1 0 378.641 2.832 20 0 GFADRO CN(CC(=O)NC1CC[NH+](C2CC2)CC1)Cc1ccc(Br)cc1F ZINC000639919145 565267401 /nfs/dbraw/zinc/26/74/01/565267401.db2.gz BUOIIPIICSRECK-UHFFFAOYSA-N 1 0 398.320 2.763 20 0 GFADRO CC[C@H]1CN(C(=O)c2ccc(I)c(F)c2)CC[C@H]1[NH3+] ZINC000592332863 565269913 /nfs/dbraw/zinc/26/99/13/565269913.db2.gz POMIBRUAAYYBEO-TVQRCGJNSA-N 1 0 376.213 2.630 20 0 GFADRO C[C@H]([NH3+])[C@H](C)NC(=O)c1cc(I)cc(C(F)(F)F)c1 ZINC000592339803 565269869 /nfs/dbraw/zinc/26/98/69/565269869.db2.gz AGBAGNGKJWBPRH-BQBZGAKWSA-N 1 0 386.155 2.776 20 0 GFADRO COc1cc(NC(=O)N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)ncc1Br ZINC000639965286 565270879 /nfs/dbraw/zinc/27/08/79/565270879.db2.gz OQLSMHFFYFLHKK-NWDGAFQWSA-N 1 0 383.290 2.943 20 0 GFADRO CCOC(=O)c1cc2cc(S(=O)(=O)N3CCC(C)([NH3+])CC3)ccc2s1 ZINC000592381006 565272470 /nfs/dbraw/zinc/27/24/70/565272470.db2.gz YLNDRDFPTXEBSX-UHFFFAOYSA-N 1 0 382.507 2.580 20 0 GFADRO Cc1cnn(CC[NH+]2CCC(C(=O)Nc3ccc(Br)cn3)CC2)c1 ZINC000592418212 565275543 /nfs/dbraw/zinc/27/55/43/565275543.db2.gz AYYGKEYISQQRSC-UHFFFAOYSA-N 1 0 392.301 2.700 20 0 GFADRO C[C@@H](CCc1ccc(I)cc1)CC(=O)N1CC[C@@H]([NH3+])C1 ZINC000592446316 565276165 /nfs/dbraw/zinc/27/61/65/565276165.db2.gz IXMYKPGZLAFLKR-SWLSCSKDSA-N 1 0 386.277 2.810 20 0 GFADRO C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)CN1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000640052390 565277032 /nfs/dbraw/zinc/27/70/32/565277032.db2.gz AAHIFZTYPKVRKB-CORIIIEPSA-N 1 0 378.822 2.962 20 0 GFADRO C[C@@H](CCc1ccc(I)cc1)CC(=O)N[C@H]1CC[NH2+]C1 ZINC000592464934 565278514 /nfs/dbraw/zinc/27/85/14/565278514.db2.gz RVBSPERIIURCPP-WFASDCNBSA-N 1 0 386.277 2.728 20 0 GFADRO [NH3+]C[C@@H]1CCCn2ncc(C(=O)Nc3cccc(I)c3)c21 ZINC000592476449 565278570 /nfs/dbraw/zinc/27/85/70/565278570.db2.gz VGDDBKTXURVZAZ-JTQLQIEISA-N 1 0 396.232 2.576 20 0 GFADRO CC[C@@H]1CN(C(=O)c2c(F)cccc2I)CC[C@H]1[NH3+] ZINC000592545793 565280866 /nfs/dbraw/zinc/28/08/66/565280866.db2.gz XCKWLKNVPLTPOR-BXKDBHETSA-N 1 0 376.213 2.630 20 0 GFADRO CN(C[C@@H]1CCCN(Cc2cccc(F)c2OC(F)F)C1)S(C)(=O)=O ZINC000660535621 565281820 /nfs/dbraw/zinc/28/18/20/565281820.db2.gz YCLNOHYLHFVPQB-LBPRGKRZSA-N 1 0 380.432 2.531 20 0 GFADRO C[C@@H](CCc1ccc(I)cc1)CC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000592554617 565282066 /nfs/dbraw/zinc/28/20/66/565282066.db2.gz JPMOHLSNDYISHW-ZYIUAKIQSA-N 1 0 398.288 2.584 20 0 GFADRO Cc1nn(C)c(NC(=O)NCC[N@H+](C)Cc2ccc(F)cc2)c1Br ZINC000640165458 565282540 /nfs/dbraw/zinc/28/25/40/565282540.db2.gz LMIROVWIYAUAQD-UHFFFAOYSA-N 1 0 398.280 2.884 20 0 GFADRO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000618300219 565284742 /nfs/dbraw/zinc/28/47/42/565284742.db2.gz QQRDLQXMDPXFOU-UONOGXRCSA-N 1 0 386.323 2.575 20 0 GFADRO COc1ncc(Br)cc1C[N@@H+]1C[C@H](C(N)=O)[C@@H](c2ccccc2)C1 ZINC000660803530 565293934 /nfs/dbraw/zinc/29/39/34/565293934.db2.gz MNINPYOJCIYQJO-CVEARBPZSA-N 1 0 390.281 2.554 20 0 GFADRO CC[NH+]1CCC(NC(=O)N2CCOc3cc(Br)ccc3C2)CC1 ZINC000660820210 565294946 /nfs/dbraw/zinc/29/49/46/565294946.db2.gz BGULJPDMGWQBIJ-UHFFFAOYSA-N 1 0 382.302 2.837 20 0 GFADRO C[N@H+](CC(=O)N1CCOC[C@@H]1c1ccc(Br)cc1)[C@@H]1CCSC1 ZINC000618365008 565296112 /nfs/dbraw/zinc/29/61/12/565296112.db2.gz SWMPXBOZWKEEMV-HZPDHXFCSA-N 1 0 399.354 2.786 20 0 GFADRO C[C@H]1C[C@@H](NC(=O)N2CCN(c3ccc(Br)cc3)CC2)CC[N@@H+]1C ZINC000660858813 565296472 /nfs/dbraw/zinc/29/64/72/565296472.db2.gz QQWKCQGUVKTRSD-HOCLYGCPSA-N 1 0 395.345 2.763 20 0 GFADRO C[C@H](CNC(=O)N1CCOc2cc(Br)ccc2C1)[N@H+](C)C1CC1 ZINC000660856115 565297382 /nfs/dbraw/zinc/29/73/82/565297382.db2.gz YJTAFTIUSSJJCQ-GFCCVEGCSA-N 1 0 382.302 2.836 20 0 GFADRO CCCN(C(=O)c1cc(F)ccc1I)[C@H]1CC[N@H+](C)C1 ZINC000592832133 565299430 /nfs/dbraw/zinc/29/94/30/565299430.db2.gz QXKYLBBOOPWYIM-LBPRGKRZSA-N 1 0 390.240 2.987 20 0 GFADRO CCCN(C(=O)c1cccc(F)c1I)[C@@H]1CC[N@H+](C)C1 ZINC000592828284 565299538 /nfs/dbraw/zinc/29/95/38/565299538.db2.gz FOYBEFVSYCCJNR-LLVKDONJSA-N 1 0 390.240 2.987 20 0 GFADRO COC(=O)[C@H]1C[NH2+]CCCN1Cc1csc(Cc2ccc(Cl)cc2)n1 ZINC000592984991 565305361 /nfs/dbraw/zinc/30/53/61/565305361.db2.gz YUOGHGJZSRFZBU-MRXNPFEDSA-N 1 0 379.913 2.724 20 0 GFADRO Brc1ccc(-c2noc(CN3CC[C@H](Cn4ccnn4)C3)n2)s1 ZINC000661144995 565310545 /nfs/dbraw/zinc/31/05/45/565310545.db2.gz OOKYHAKOXYYHRK-JTQLQIEISA-N 1 0 395.286 2.674 20 0 GFADRO CO[C@@H]1CCC[C@@H]([C@@H](CO)[NH2+]Cc2nc3cc(Br)ccc3[nH]2)C1 ZINC000661213390 565314123 /nfs/dbraw/zinc/31/41/23/565314123.db2.gz AWPAOOYANIIUNH-AXAPSJFSSA-N 1 0 382.302 2.981 20 0 GFADRO CCC(C)(C)[C@H](C)[NH2+]CC(=O)NCC(=O)Nc1ccccc1Br ZINC000661232995 565314694 /nfs/dbraw/zinc/31/46/94/565314694.db2.gz SHKJSMYOMWMFPE-LBPRGKRZSA-N 1 0 384.318 2.918 20 0 GFADRO CO[C@@H]1CCC[C@H]([C@H](CO)[NH2+]C[C@H](O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000661220791 565314769 /nfs/dbraw/zinc/31/47/69/565314769.db2.gz PABXQGZUEJRNLB-FLTUCWPJSA-N 1 0 392.323 2.889 20 0 GFADRO Cc1cc(CNC(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)ccc1Br ZINC000661303944 565318045 /nfs/dbraw/zinc/31/80/45/565318045.db2.gz QHJXOYISEUGWIW-INIZCTEOSA-N 1 0 396.329 2.810 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)NCC(=O)Nc1ccc(Br)cc1 ZINC000661394831 565322709 /nfs/dbraw/zinc/32/27/09/565322709.db2.gz AJBPSGQOQIIYLI-AWEZNQCLSA-N 1 0 397.317 2.560 20 0 GFADRO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)c1ccc(Cl)c(NS(C)(=O)=O)c1 ZINC000618991028 565324675 /nfs/dbraw/zinc/32/46/75/565324675.db2.gz RHKMEADNDRVHLB-CYBMUJFWSA-N 1 0 387.933 2.562 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)NCC(=O)Nc2ccc(Br)cc2)C1 ZINC000661508050 565327162 /nfs/dbraw/zinc/32/71/62/565327162.db2.gz MYTSAIPYCFKFMJ-AWEZNQCLSA-N 1 0 397.317 2.560 20 0 GFADRO C[C@@H]1[C@@H](c2ccc(Br)cc2)OCCN1C[C@H](O)C[N@H+](C)C1CC1 ZINC000661516865 565327194 /nfs/dbraw/zinc/32/71/94/565327194.db2.gz PWJBFLAADAXQGY-XWIAVFTESA-N 1 0 383.330 2.666 20 0 GFADRO O=C(CC[N@@H+]1CC[C@H]2NC(=O)CC[C@H]2C1)Nc1ccc(Br)cc1F ZINC000661606116 565330645 /nfs/dbraw/zinc/33/06/45/565330645.db2.gz GOGNHOHJTHHDMD-SMDDNHRTSA-N 1 0 398.276 2.517 20 0 GFADRO CCC[C@H]([NH3+])c1cn(CC(=O)Nc2c(F)cc(F)cc2Br)nn1 ZINC000640894935 565335271 /nfs/dbraw/zinc/33/52/71/565335271.db2.gz DEKLQCIGPIDWCR-NSHDSACASA-N 1 0 388.216 2.757 20 0 GFADRO C[C@H](C(=O)Nc1ccccc1Br)n1cc(C2CC[NH2+]CC2)nn1 ZINC000640901647 565336125 /nfs/dbraw/zinc/33/61/25/565336125.db2.gz OITSIRRFVGHIOW-LLVKDONJSA-N 1 0 378.274 2.707 20 0 GFADRO COCC[C@H]([NH3+])Cc1cn([C@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)nn1 ZINC000640930766 565337415 /nfs/dbraw/zinc/33/74/15/565337415.db2.gz UCSXLIXFXBHALV-MNOVXSKESA-N 1 0 386.283 2.691 20 0 GFADRO COCC[C@@H]([NH3+])Cc1cn([C@@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)nn1 ZINC000640930768 565337515 /nfs/dbraw/zinc/33/75/15/565337515.db2.gz UCSXLIXFXBHALV-WDEREUQCSA-N 1 0 386.283 2.691 20 0 GFADRO COCCN(C)Cc1cn(Cc2cc(Br)cc3cccnc32)nn1 ZINC000640949664 565338686 /nfs/dbraw/zinc/33/86/86/565338686.db2.gz XNBAWTCWIKDFDF-UHFFFAOYSA-N 1 0 390.285 2.715 20 0 GFADRO C[C@@H](c1ccc(Cl)cc1Cl)n1cc(CNC(=O)C2CC[NH2+]CC2)nn1 ZINC000640992617 565340961 /nfs/dbraw/zinc/34/09/61/565340961.db2.gz XFJSHTXKSVFKRM-NSHDSACASA-N 1 0 382.295 2.810 20 0 GFADRO CC[C@](C)([NH3+])c1cn(Cc2noc(Cc3ccc(Br)cc3)n2)nn1 ZINC000641042772 565343631 /nfs/dbraw/zinc/34/36/31/565343631.db2.gz QIKXLVMNKPNLKD-INIZCTEOSA-N 1 0 391.273 2.647 20 0 GFADRO CS[C@H]1CN(S(=O)(=O)c2ccc(Cl)c(F)c2)C[C@@H]1[NH+]1CCCC1 ZINC000593584400 565344227 /nfs/dbraw/zinc/34/42/27/565344227.db2.gz NHNVWRMQYZYYED-GJZGRUSLSA-N 1 0 378.922 2.679 20 0 GFADRO CC(C)[NH+]1CCC(NC(=O)CN[C@@H](CO)c2cccc(Cl)c2Cl)CC1 ZINC000662050470 565347764 /nfs/dbraw/zinc/34/77/64/565347764.db2.gz GIPAUFZCNYZAGA-INIZCTEOSA-N 1 0 388.339 2.605 20 0 GFADRO CCC[C@H]([NH3+])c1cn([C@@H]2CCc3cc(Br)ccc3NC2=O)nn1 ZINC000641164479 565351128 /nfs/dbraw/zinc/35/11/28/565351128.db2.gz OUBNAXSNYCPKNG-SWLSCSKDSA-N 1 0 378.274 2.967 20 0 GFADRO C[C@@H]1C[N@H+](C[C@H](O)COc2ccc(Cl)cc2Br)C[C@@]1(C)CO ZINC000662136942 565351292 /nfs/dbraw/zinc/35/12/92/565351292.db2.gz WCXGDSBHYZFRMF-FFSVYQOJSA-N 1 0 392.721 2.793 20 0 GFADRO C[C@H](c1ncc(Br)cn1)n1cc(C[C@H]([NH3+])Cc2ccccc2)nn1 ZINC000641176277 565352350 /nfs/dbraw/zinc/35/23/50/565352350.db2.gz MWVQYICNRUYWKH-IUODEOHRSA-N 1 0 387.285 2.552 20 0 GFADRO CC(C)(C)[C@@H]([NH3+])c1cn(C[C@@H](O)COc2ccc(Br)cc2)nn1 ZINC000641195016 565353426 /nfs/dbraw/zinc/35/34/26/565353426.db2.gz ZHORCFPQBGSIHT-DOMZBBRYSA-N 1 0 383.290 2.526 20 0 GFADRO CN(CCC[NH3+])Cc1cn(Cc2oc3ccccc3c2Br)nn1 ZINC000641203166 565354711 /nfs/dbraw/zinc/35/47/11/565354711.db2.gz CSHAIOXFLKDDKK-UHFFFAOYSA-N 1 0 378.274 2.616 20 0 GFADRO CO[C@]1(C[NH2+]Cc2ccc(I)cc2Cl)CCOC1 ZINC000619715440 565355879 /nfs/dbraw/zinc/35/58/79/565355879.db2.gz DUJIHBOOCSDRHU-ZDUSSCGKSA-N 1 0 381.641 2.840 20 0 GFADRO Cc1nc(-c2ccc(C[NH2+]C[C@H](O)CN3C[C@@H](C)O[C@H](C)C3)s2)cs1 ZINC000619741061 565357301 /nfs/dbraw/zinc/35/73/01/565357301.db2.gz NFAHKIVGMBMASG-NFAWXSAZSA-N 1 0 381.567 2.740 20 0 GFADRO NC(=O)[C@H](c1cccc(Br)c1)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662291558 565359318 /nfs/dbraw/zinc/35/93/18/565359318.db2.gz IBAALLXRPFBUMO-WBVHZDCISA-N 1 0 380.330 2.687 20 0 GFADRO O=C(N[C@H]1CCSc2ccc(Cl)cc21)c1cnnn1C1CC[NH2+]CC1 ZINC000662356829 565363158 /nfs/dbraw/zinc/36/31/58/565363158.db2.gz WFZPZBBCIZLHEO-AWEZNQCLSA-N 1 0 377.901 2.823 20 0 GFADRO C[C@H](Cc1ccc(Br)cc1)NC(=O)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC000662387749 565364728 /nfs/dbraw/zinc/36/47/28/565364728.db2.gz VYUSYQLGYKDLLC-YPMHNXCESA-N 1 0 377.286 2.610 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)[C@@H]2CCO[C@H]2c2cncc(Br)c2)C1 ZINC000662419550 565366284 /nfs/dbraw/zinc/36/62/84/565366284.db2.gz JZZBXCRIUAKUCL-KOZAUXTDSA-N 1 0 382.302 2.508 20 0 GFADRO COCC[N@@H+]1CC[C@H](NC(=O)CCCOc2cccc(Cl)c2Cl)C1 ZINC000593913532 565367390 /nfs/dbraw/zinc/36/73/90/565367390.db2.gz UPLWLUXDKMKZHM-ZDUSSCGKSA-N 1 0 375.296 2.989 20 0 GFADRO C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)c1ccc(I)cc1Cl ZINC000593930380 565368543 /nfs/dbraw/zinc/36/85/43/565368543.db2.gz GFKKJQPKVOEIIL-SCZZXKLOSA-N 1 0 378.641 2.896 20 0 GFADRO O=C(NC1CC1)c1cc(NC(=O)[C@]2(C(F)(F)F)CC[NH2+]C2)ccc1Cl ZINC000662477330 565371357 /nfs/dbraw/zinc/37/13/57/565371357.db2.gz YLWXACPXVNHPDB-HNNXBMFYSA-N 1 0 375.778 2.713 20 0 GFADRO Cn1cc(NC(=O)c2ccc3c(c2)[C@@H](C[NH3+])CCC3)cc(Br)c1=O ZINC000662496589 565372187 /nfs/dbraw/zinc/37/21/87/565372187.db2.gz MOXCVLWKBKCJTR-CYBMUJFWSA-N 1 0 390.281 2.779 20 0 GFADRO N[C@H](C(=O)N1CC[NH+](C2CCCCC2)CC1)c1ccccc1Br ZINC000662504119 565372842 /nfs/dbraw/zinc/37/28/42/565372842.db2.gz QGWFYFDERXWAGV-KRWDZBQOSA-N 1 0 380.330 2.926 20 0 GFADRO [NH3+]C[C@H]1CCCc2ccc(C(=O)Nc3c[nH]cc(Br)c3=O)cc21 ZINC000662509070 565372913 /nfs/dbraw/zinc/37/29/13/565372913.db2.gz KDLURMQKCWGDMR-GFCCVEGCSA-N 1 0 376.254 2.768 20 0 GFADRO O=C(NCc1cc(Cl)ccc1Br)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC000662524422 565374648 /nfs/dbraw/zinc/37/46/48/565374648.db2.gz VEVURMDVTXESHZ-SECBINFHSA-N 1 0 383.677 2.833 20 0 GFADRO N[C@H](C(=O)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1)c1ccccc1Br ZINC000662523351 565375083 /nfs/dbraw/zinc/37/50/83/565375083.db2.gz PWQPZVXDMVBIES-ZQIUZPCESA-N 1 0 380.330 2.687 20 0 GFADRO O=C(c1cc(Br)cc2c1OCCO2)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000662523004 565375093 /nfs/dbraw/zinc/37/50/93/565375093.db2.gz NYSLJRLKXFDKLZ-CHWSQXEVSA-N 1 0 395.297 2.682 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H]1C(=O)NCc1cc(Br)ccc1Br ZINC000662529485 565375216 /nfs/dbraw/zinc/37/52/16/565375216.db2.gz BJGOSQWJIALMLT-CMPLNLGQSA-N 1 0 376.092 2.955 20 0 GFADRO Cc1ccc(CN(C[C@H]2CCCO2)C(=O)NC[C@@H](C)[NH3+])c(Br)c1 ZINC000641476594 565375398 /nfs/dbraw/zinc/37/53/98/565375398.db2.gz SKGAKYCEOMOITL-UKRRQHHQSA-N 1 0 384.318 2.795 20 0 GFADRO O=C(N1CCO[C@H](c2ccc(F)c(Cl)c2)C1)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662566168 565377326 /nfs/dbraw/zinc/37/73/26/565377326.db2.gz SUUFKWZLSADUQN-ZFWWWQNUSA-N 1 0 380.769 2.921 20 0 GFADRO Cc1c(Br)cncc1C(=O)N1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000662574171 565377387 /nfs/dbraw/zinc/37/73/87/565377387.db2.gz IXNDCWXAOLVODS-HOTGVXAUSA-N 1 0 382.302 2.511 20 0 GFADRO Cc1[nH]c(=O)c(C(=O)N2CCC([C@H]3CCC[NH2+]C3)CC2)cc1Br ZINC000662588183 565378404 /nfs/dbraw/zinc/37/84/04/565378404.db2.gz RKVDTQGUFLJSIC-ZDUSSCGKSA-N 1 0 382.302 2.710 20 0 GFADRO O=C(Cc1ccccc1I)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000594197527 565378716 /nfs/dbraw/zinc/37/87/16/565378716.db2.gz OYZWUKNBEYDEOB-CVEARBPZSA-N 1 0 398.288 2.967 20 0 GFADRO C[C@H](CC(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1)n1cc(Br)cn1 ZINC000662588174 565378666 /nfs/dbraw/zinc/37/86/66/565378666.db2.gz RHECGYDCVPMUOA-UKRRQHHQSA-N 1 0 383.334 2.835 20 0 GFADRO Cc1[nH]c(=O)c(C(=O)N2CCC[C@@H](C3CC[NH2+]CC3)C2)cc1Br ZINC000662597426 565379411 /nfs/dbraw/zinc/37/94/11/565379411.db2.gz XWTRNLDIEQYKLO-CYBMUJFWSA-N 1 0 382.302 2.710 20 0 GFADRO C[C@@H](CNC(=O)[C@]1(C(F)(F)F)CC[NH2+]C1)Oc1ccc(Br)cc1 ZINC000662632244 565379448 /nfs/dbraw/zinc/37/94/48/565379448.db2.gz OMAPERFBPBKASV-HZMBPMFUSA-N 1 0 395.219 2.875 20 0 GFADRO C[C@H](CNC(=O)c1cc(C(C)(C)[NH3+])no1)Oc1ccc(Br)cc1 ZINC000662629921 565379609 /nfs/dbraw/zinc/37/96/09/565379609.db2.gz BHKDQKPGFQGUQI-SNVBAGLBSA-N 1 0 382.258 2.828 20 0 GFADRO O=C(c1sc2c(c1Br)CNC2)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000662698560 565381905 /nfs/dbraw/zinc/38/19/05/565381905.db2.gz SBXLIQAAVNQMEM-LLVKDONJSA-N 1 0 384.343 2.814 20 0 GFADRO CC(C)([NH3+])c1cc(C(=O)N[C@@H]2CCN(c3ccccc3Br)C2)on1 ZINC000662729570 565382959 /nfs/dbraw/zinc/38/29/59/565382959.db2.gz MCXSLQNDAGSJAR-LLVKDONJSA-N 1 0 393.285 2.640 20 0 GFADRO Cc1nn(-c2ccc(C(=O)NCC34CC(C3)C[NH2+]4)cc2)c(C)c1Br ZINC000662723641 565383030 /nfs/dbraw/zinc/38/30/30/565383030.db2.gz ZHAOZVWPZTXPNS-UHFFFAOYSA-N 1 0 389.297 2.733 20 0 GFADRO CC(C)[C@H]([NH3+])CCNC(=O)c1ncc(Br)cc1Br ZINC000662731657 565383585 /nfs/dbraw/zinc/38/35/85/565383585.db2.gz IGEGREUPWTUVCN-SNVBAGLBSA-N 1 0 379.096 2.710 20 0 GFADRO C[NH+]1CCC2(CCN(S(=O)(=O)c3ccccc3OC(F)(F)F)C2)CC1 ZINC000641589536 565385116 /nfs/dbraw/zinc/38/51/16/565385116.db2.gz KYIGUTHLUZCWDN-UHFFFAOYSA-N 1 0 378.416 2.692 20 0 GFADRO C[C@H](C(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1)c1cccc(Br)c1 ZINC000620477547 565385228 /nfs/dbraw/zinc/38/52/28/565385228.db2.gz KHQLBBZOYJXFDL-GUYCJALGSA-N 1 0 381.314 2.610 20 0 GFADRO COc1cc(NC(=O)[C@@]2(C(F)(F)F)CC[NH2+]C2)cc(OC)c1Br ZINC000662801290 565385505 /nfs/dbraw/zinc/38/55/05/565385505.db2.gz RTVAIRLHHZMWEY-CYBMUJFWSA-N 1 0 397.191 2.947 20 0 GFADRO O=C(CCc1cc(Br)cs1)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000620484933 565385895 /nfs/dbraw/zinc/38/58/95/565385895.db2.gz PAJIPRMFPWNVCP-AWEZNQCLSA-N 1 0 387.343 2.501 20 0 GFADRO COc1cc(NC(=O)[C@]2(C(F)(F)F)CC[NH2+]C2)cc(OC)c1Br ZINC000662801296 565385974 /nfs/dbraw/zinc/38/59/74/565385974.db2.gz RTVAIRLHHZMWEY-ZDUSSCGKSA-N 1 0 397.191 2.947 20 0 GFADRO O=C([C@@H]1C[NH2+]CCC1(F)F)N1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000662857026 565388106 /nfs/dbraw/zinc/38/81/06/565388106.db2.gz BUWOCNYWMLJRIR-LBPRGKRZSA-N 1 0 378.250 2.887 20 0 GFADRO N[C@@H](C(=O)NC[C@H]1CCC[N@H+](CC2CC2)C1)c1ccccc1Br ZINC000663004131 565391726 /nfs/dbraw/zinc/39/17/26/565391726.db2.gz PNZQMMDOBGHQID-RHSMWYFYSA-N 1 0 380.330 2.687 20 0 GFADRO C[N@H+](CC(=O)N1CCOc2cc(Br)ccc2C1)[C@@H]1CCSC1 ZINC000620708673 565394149 /nfs/dbraw/zinc/39/41/49/565394149.db2.gz PUWJWTCAPJWBNU-CQSZACIVSA-N 1 0 385.327 2.607 20 0 GFADRO C[C@H](CC(=O)NC[C@@H]1CC[N@@H+]1Cc1ccccc1)n1cc(Br)cn1 ZINC000620781755 565396081 /nfs/dbraw/zinc/39/60/81/565396081.db2.gz MKEYJOZBLPAVSC-PBHICJAKSA-N 1 0 391.313 2.987 20 0 GFADRO Ic1ccc(OCC[NH2+][C@H]2CCCn3ccnc32)cc1 ZINC000594503669 565396723 /nfs/dbraw/zinc/39/67/23/565396723.db2.gz GTPWROWYNIVYFF-AWEZNQCLSA-N 1 0 383.233 2.991 20 0 GFADRO COC[C@H](CO)[NH2+]Cc1cc(Br)ccc1OCc1ccccn1 ZINC000641750705 565397377 /nfs/dbraw/zinc/39/73/77/565397377.db2.gz OLLLKOFFXBGXAJ-INIZCTEOSA-N 1 0 381.270 2.520 20 0 GFADRO Cc1cc(Br)ccc1[C@H](C)[NH2+][C@H]1CCN(CCN2CCOCC2)C1 ZINC000641774923 565398686 /nfs/dbraw/zinc/39/86/86/565398686.db2.gz VKFOKEISZDJRAL-WMZOPIPTSA-N 1 0 396.373 2.815 20 0 GFADRO CC[C@@H]1CN(C(=O)CSc2nncn2-c2cccc(Cl)c2)C[C@H](C)[NH2+]1 ZINC000620905854 565400628 /nfs/dbraw/zinc/40/06/28/565400628.db2.gz DPMKKHZNXDNWNA-GXTWGEPZSA-N 1 0 379.917 2.612 20 0 GFADRO C[NH+](C)C[C@@H]1COC2(CCCC2)CN1C(=O)c1ncc(Br)s1 ZINC000620911389 565400712 /nfs/dbraw/zinc/40/07/12/565400712.db2.gz FPIYAGLJMMYNJK-LLVKDONJSA-N 1 0 388.331 2.621 20 0 GFADRO CC[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)NC/C=C\C[NH3+])CC1 ZINC000641862042 565400969 /nfs/dbraw/zinc/40/09/69/565400969.db2.gz IHHBDHIELIJAMH-LIMHQNJXSA-N 1 0 395.345 2.742 20 0 GFADRO COC(=O)[C@H](NC1CC[NH+]([C@H]2CCOC2)CC1)c1ccc(Br)cc1 ZINC000594611762 565403323 /nfs/dbraw/zinc/40/33/23/565403323.db2.gz KHXGQFNICALBMO-DLBZAZTESA-N 1 0 397.313 2.506 20 0 GFADRO C[C@@H](Oc1ccccc1Br)C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000620970158 565403336 /nfs/dbraw/zinc/40/33/36/565403336.db2.gz MAKVEUUGLRWFBK-CABCVRRESA-N 1 0 399.329 2.786 20 0 GFADRO O=C(C[C@H]1Sc2ccc(Cl)cc2NC1=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000594701644 565409612 /nfs/dbraw/zinc/40/96/12/565409612.db2.gz SCCBGNYPCJIEBD-XJKSGUPXSA-N 1 0 379.913 2.743 20 0 GFADRO CC(C)[NH2+][C@H]1CCCN(CC(=O)N(C)Cc2cc(Br)cs2)C1 ZINC000594748496 565413765 /nfs/dbraw/zinc/41/37/65/565413765.db2.gz UACFIPOBZUJBLT-AWEZNQCLSA-N 1 0 388.375 2.931 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S(=O)(=O)CC[NH2+][C@@H](C(C)C)C1CC1 ZINC000663363386 565415310 /nfs/dbraw/zinc/41/53/10/565415310.db2.gz KRIMEEBZEIOSGE-SFHVURJKSA-N 1 0 387.567 2.668 20 0 GFADRO CCCN1CC[C@H]([NH2+]C[C@@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000663363954 565415340 /nfs/dbraw/zinc/41/53/40/565415340.db2.gz DJEGEPXYZWLXGN-UONOGXRCSA-N 1 0 391.737 2.916 20 0 GFADRO NC(=O)CC1(C[NH2+]C[C@H](O)COc2cccc(Br)c2)CCCCC1 ZINC000663378540 565416390 /nfs/dbraw/zinc/41/63/90/565416390.db2.gz PVUDHBDSTFDZRL-HNNXBMFYSA-N 1 0 399.329 2.604 20 0 GFADRO O=C(N[C@H]1CCC[NH2+]CC1)C(=O)N(Cc1cccs1)Cc1cccs1 ZINC000642980985 565419638 /nfs/dbraw/zinc/41/96/38/565419638.db2.gz QDCBSMJNMRHGAI-AWEZNQCLSA-N 1 0 377.535 2.597 20 0 GFADRO CN(Cc1ccc(Cl)s1)C(=O)CN1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000643083070 565421032 /nfs/dbraw/zinc/42/10/32/565421032.db2.gz QABIMLNVDYDQMR-GOEBONIOSA-N 1 0 385.961 2.578 20 0 GFADRO C[NH+]1CCC(NC(=O)N2CCOC[C@H]2c2ccc(Br)cc2)CC1 ZINC000663445133 565421249 /nfs/dbraw/zinc/42/12/49/565421249.db2.gz GWMFLWZUMNGZSX-INIZCTEOSA-N 1 0 382.302 2.626 20 0 GFADRO COC(=O)c1ccc(S(=O)(=O)NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)cc1Cl ZINC000594790477 565421791 /nfs/dbraw/zinc/42/17/91/565421791.db2.gz LUGMTVBKFXBALO-LBPRGKRZSA-N 1 0 388.917 2.525 20 0 GFADRO CCOc1cncc(C[NH2+]C[C@@H](O)COc2ccccc2Br)c1 ZINC000621341668 565421879 /nfs/dbraw/zinc/42/18/79/565421879.db2.gz WPJVGYUOGXTNEU-CQSZACIVSA-N 1 0 381.270 2.772 20 0 GFADRO C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+]1CC[C@@H](C)[C@H](CO)C1 ZINC000621364822 565423135 /nfs/dbraw/zinc/42/31/35/565423135.db2.gz LZHFLFDWWBAJKD-FMKPAKJESA-N 1 0 383.330 2.746 20 0 GFADRO CCOc1ccc(Br)cc1S(=O)(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000643223160 565425378 /nfs/dbraw/zinc/42/53/78/565425378.db2.gz CSPRNHPJVLSNEA-ZDUSSCGKSA-N 1 0 391.331 2.563 20 0 GFADRO C[C@@]1(NC(=O)Nc2ccnn2Cc2cccc(Br)c2)CC[NH2+]C1 ZINC000663590362 565427043 /nfs/dbraw/zinc/42/70/43/565427043.db2.gz HDPLKEBMLWWYED-MRXNPFEDSA-N 1 0 378.274 2.567 20 0 GFADRO Cn1c(Sc2nc(C3CC3)ncc2Br)nnc1C1CC[NH2+]CC1 ZINC000663626465 565428730 /nfs/dbraw/zinc/42/87/30/565428730.db2.gz AKIGKNZPJIXOPE-UHFFFAOYSA-N 1 0 395.330 2.863 20 0 GFADRO C[C@H](Cc1ccc(F)cc1Cl)[NH2+][C@@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1 ZINC000643347800 565430009 /nfs/dbraw/zinc/43/00/09/565430009.db2.gz IWFGVTUQDZBENW-VMGRFDJRSA-N 1 0 375.893 2.736 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)CC[C@@H]1CCC[NH2+]C1 ZINC000621631105 565433837 /nfs/dbraw/zinc/43/38/37/565433837.db2.gz UMLUMUXRFYZLOU-AWEZNQCLSA-N 1 0 396.329 2.982 20 0 GFADRO Cc1c([C@H](C)NC[C@@H]2C[C@H](F)C[NH2+]2)nnn1-c1cccc(Br)c1 ZINC000643537276 565434941 /nfs/dbraw/zinc/43/49/41/565434941.db2.gz CKSJABHFPFJKJQ-BPNCWPANSA-N 1 0 382.281 2.689 20 0 GFADRO CC1(C)CN(C(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CCCC2)CC[NH2+]1 ZINC000643593506 565435395 /nfs/dbraw/zinc/43/53/95/565435395.db2.gz RPZWXWLIMOTCEI-UHFFFAOYSA-N 1 0 384.929 2.637 20 0 GFADRO O=C(c1cc2c(cc1Br)OCO2)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000621659707 565436319 /nfs/dbraw/zinc/43/63/19/565436319.db2.gz PUWGXRCPZUDYOD-RYUDHWBXSA-N 1 0 381.270 2.640 20 0 GFADRO [NH3+][C@]12CCC[C@@H]1CN(C(=O)c1ccn(-c3cccc(Br)c3)n1)C2 ZINC000621690649 565436874 /nfs/dbraw/zinc/43/68/74/565436874.db2.gz WJCJJQFRJKJNTN-PXAZEXFGSA-N 1 0 375.270 2.588 20 0 GFADRO [NH3+][C@]12CCC[C@@H]1CN(C(=O)c1cnn(-c3cccc(Br)c3)c1)C2 ZINC000621689538 565436945 /nfs/dbraw/zinc/43/69/45/565436945.db2.gz JGVDFCFHENCSPR-DYVFJYSZSA-N 1 0 375.270 2.588 20 0 GFADRO [NH3+][C@@]12CCC[C@@H]1CN(C(=O)c1cc(=O)[nH]c3c(Br)cccc13)C2 ZINC000621681117 565436974 /nfs/dbraw/zinc/43/69/74/565436974.db2.gz NDSAVEUVKFUALB-BMLIUANNSA-N 1 0 376.254 2.656 20 0 GFADRO [NH3+][C@@]12CCC[C@@H]1CN(C(=O)c1cnn(-c3cccc(Br)c3)c1)C2 ZINC000621689537 565437159 /nfs/dbraw/zinc/43/71/59/565437159.db2.gz JGVDFCFHENCSPR-CXAGYDPISA-N 1 0 375.270 2.588 20 0 GFADRO O[C@]1(C[NH2+][C@H]2CCc3ccc(I)cc32)CCSC1 ZINC000595012278 565442528 /nfs/dbraw/zinc/44/25/28/565442528.db2.gz MPTMYHVTBRTULL-KBPBESRZSA-N 1 0 375.275 2.736 20 0 GFADRO O[C@@]1(C[NH2+][C@H]2CCc3ccc(I)cc32)CCSC1 ZINC000595012281 565442666 /nfs/dbraw/zinc/44/26/66/565442666.db2.gz MPTMYHVTBRTULL-UONOGXRCSA-N 1 0 375.275 2.736 20 0 GFADRO C[C@@H](Cn1cncn1)[NH2+]Cc1ccc(I)c(Cl)c1 ZINC000595038329 565444957 /nfs/dbraw/zinc/44/49/57/565444957.db2.gz JOSSNGLZAMDRGV-VIFPVBQESA-N 1 0 376.629 2.714 20 0 GFADRO C[C@H]1C[C@@H](NC(=O)c2cc(Br)c[nH]c2=O)C[N@@H+]1Cc1ccccc1 ZINC000621911022 565448775 /nfs/dbraw/zinc/44/87/75/565448775.db2.gz QNJTWUSMGRLBCP-SWLSCSKDSA-N 1 0 390.281 2.943 20 0 GFADRO C[NH+](C)CC[C@@](C)(O)CNC(=O)c1cc(-c2cccc(Br)c2)no1 ZINC000621959919 565451894 /nfs/dbraw/zinc/45/18/94/565451894.db2.gz IHODOECKBRBWQN-QGZVFWFLSA-N 1 0 396.285 2.537 20 0 GFADRO O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cc(Br)c[nH]c1=O ZINC000621985163 565453033 /nfs/dbraw/zinc/45/30/33/565453033.db2.gz WIYGDPACZBSUBH-AWEZNQCLSA-N 1 0 390.281 2.802 20 0 GFADRO COCCC[N@H+](C)CCNC(=O)N(C)[C@@H](CO)c1cccc(Cl)c1Cl ZINC000664218646 565455620 /nfs/dbraw/zinc/45/56/20/565455620.db2.gz JQSPYQJKGJVMAQ-HNNXBMFYSA-N 1 0 392.327 2.637 20 0 GFADRO C[C@H](Cc1ccc(F)c(Br)c1)NC(=O)[C@H]1C[NH2+]CCC1(F)F ZINC000644055278 565455948 /nfs/dbraw/zinc/45/59/48/565455948.db2.gz IEBSYFXGKKQZKG-MWLCHTKSSA-N 1 0 379.220 2.880 20 0 GFADRO CC1(C)C[NH2+][C@H]1C(=O)Nc1ccc(CCn2cc(Br)cn2)cc1 ZINC000644053605 565456491 /nfs/dbraw/zinc/45/64/91/565456491.db2.gz MBALOQDPSRUSIN-HNNXBMFYSA-N 1 0 377.286 2.825 20 0 GFADRO COC(=O)c1cc(NC(=O)NCC2([NH3+])CCCC2)cc(Br)c1F ZINC000595232097 565456937 /nfs/dbraw/zinc/45/69/37/565456937.db2.gz TZAUXDUFOKNCOH-UHFFFAOYSA-N 1 0 388.237 2.768 20 0 GFADRO COc1cc(C(=O)NC[C@@H]([NH3+])c2ccccc2OC)sc1Br ZINC000644092731 565458511 /nfs/dbraw/zinc/45/85/11/565458511.db2.gz SSSOEDKFDUKEEY-SNVBAGLBSA-N 1 0 385.283 2.958 20 0 GFADRO O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)c1ccc(Br)cc1Br ZINC000644142287 565460640 /nfs/dbraw/zinc/46/06/40/565460640.db2.gz LYICODKGSKBXTR-IUCAKERBSA-N 1 0 380.055 2.641 20 0 GFADRO COc1cc2[nH+]ccc(N[C@@H]3CC[C@H](C)S(=O)(=O)C3)c2cc1Br ZINC000664360158 565460874 /nfs/dbraw/zinc/46/08/74/565460874.db2.gz RLMFAZIBQINTAU-WDEREUQCSA-N 1 0 399.310 2.805 20 0 GFADRO COCCOc1ccc(Br)cc1NC(=O)C[C@@H]1CSCC[NH2+]1 ZINC000644154870 565461104 /nfs/dbraw/zinc/46/11/04/565461104.db2.gz WXQBERRLFYJZKJ-GFCCVEGCSA-N 1 0 389.315 2.508 20 0 GFADRO O=C(N[C@H]1CC12CC[NH2+]CC2)c1ccc(-n2cc(Br)cn2)cc1 ZINC000644144460 565461607 /nfs/dbraw/zinc/46/16/07/565461607.db2.gz BFZCPBBFRASHRA-HNNXBMFYSA-N 1 0 375.270 2.507 20 0 GFADRO O=C(N1CCOC2(C[NH2+]C2)C1)C1(c2cccc(Br)c2)CCCCC1 ZINC000664724310 565475645 /nfs/dbraw/zinc/47/56/45/565475645.db2.gz HFSBYLZNNLRZAK-UHFFFAOYSA-N 1 0 393.325 2.852 20 0 GFADRO CC[N@H+](CCNC(=O)N1C[C@H](C)O[C@@](C)(C(F)F)C1)CCC(F)(F)F ZINC000664747053 565477043 /nfs/dbraw/zinc/47/70/43/565477043.db2.gz LMYFZESPHAVXCH-SMDDNHRTSA-N 1 0 375.382 2.715 20 0 GFADRO CCC[N@H+](C)CC(C)(C)NC(=O)NCc1ccc(S(C)(=O)=O)c(Cl)c1 ZINC000664749274 565477222 /nfs/dbraw/zinc/47/72/22/565477222.db2.gz HKOZRWXNVVFAOF-UHFFFAOYSA-N 1 0 389.949 2.663 20 0 GFADRO C[C@H](CCNC(=O)NCc1cnn(-c2ccc(Br)cc2)c1)[NH+](C)C ZINC000664765338 565477847 /nfs/dbraw/zinc/47/78/47/565477847.db2.gz JEYIGTXBLQRRSM-CYBMUJFWSA-N 1 0 394.317 2.774 20 0 GFADRO Cc1ncc2c(n1)CC[C@H]([NH2+]C[C@H](O)COc1ccc(Cl)c(Cl)c1)C2 ZINC000644518159 565479595 /nfs/dbraw/zinc/47/95/95/565479595.db2.gz QWAKGPZVQRWECC-KBPBESRZSA-N 1 0 382.291 2.979 20 0 GFADRO O[C@@H](C[NH2+]C1CCN(CC(F)F)CC1)COc1ccc(Br)cc1 ZINC000644532748 565480392 /nfs/dbraw/zinc/48/03/92/565480392.db2.gz MDVMEWXXBHQIFE-AWEZNQCLSA-N 1 0 393.272 2.508 20 0 GFADRO C[C@@H]1[C@@H](C)[N@@H+](C)C[C@H](C)N1C(=O)c1cc(Br)cc2c1OCCO2 ZINC000622889393 565480588 /nfs/dbraw/zinc/48/05/88/565480588.db2.gz JDKHCBCCDGGDRZ-QJPTWQEYSA-N 1 0 383.286 2.773 20 0 GFADRO CN(C)[C@@]1(C[NH2+]C[C@H](O)COc2ccc(Cl)c(Cl)c2)CCSC1 ZINC000644583376 565482773 /nfs/dbraw/zinc/48/27/73/565482773.db2.gz YICSDXOQYCSTFC-BLLLJJGKSA-N 1 0 379.353 2.760 20 0 GFADRO O=C(CC[NH2+]Cc1ccc2c(c1)CCS2(=O)=O)Nc1cccc(Cl)c1 ZINC000644588873 565483921 /nfs/dbraw/zinc/48/39/21/565483921.db2.gz MADJSLQIWKVBOJ-UHFFFAOYSA-N 1 0 378.881 2.788 20 0 GFADRO Cc1cc(C[NH2+]C[C@H](O)COc2ccc(Cl)cc2Br)ncn1 ZINC000644609102 565484264 /nfs/dbraw/zinc/48/42/64/565484264.db2.gz RRIMJAAHPNRBAC-ZDUSSCGKSA-N 1 0 386.677 2.730 20 0 GFADRO CNC(=O)C1CCC([NH2+]C[C@H](O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000644621748 565485300 /nfs/dbraw/zinc/48/53/00/565485300.db2.gz BTNLPYZEHQXOHT-BPCQOVAHSA-N 1 0 375.296 2.628 20 0 GFADRO CN1Cc2ccccc2[C@@H]([NH2+]C[C@@H](O)COc2ccc(Br)cc2)C1 ZINC000644609800 565485522 /nfs/dbraw/zinc/48/55/22/565485522.db2.gz LJAVRTVPKLPYKV-APWZRJJASA-N 1 0 391.309 2.965 20 0 GFADRO COc1c(Br)ccc(C)c1C(=O)NCCCN1CCC[N@H+](C)CC1 ZINC000644637586 565486535 /nfs/dbraw/zinc/48/65/35/565486535.db2.gz GLIPZGDESZEJSC-UHFFFAOYSA-N 1 0 398.345 2.524 20 0 GFADRO COC[C@H](C)OC[C@H](O)C[NH2+][C@H]1CCc2c1ccc(F)c2Br ZINC000644661329 565487747 /nfs/dbraw/zinc/48/77/47/565487747.db2.gz UZSLIUOJQYEJCE-RWSFTLGLSA-N 1 0 376.266 2.578 20 0 GFADRO C[N@H+](Cc1cn2cc(Br)ccc2n1)C(C)(C)CN1CCOCC1 ZINC000665280392 565494493 /nfs/dbraw/zinc/49/44/93/565494493.db2.gz VCXRWSADOPXEHO-UHFFFAOYSA-N 1 0 381.318 2.639 20 0 GFADRO Cc1c(C(=O)N2CC[C@@H]3C[N@@H+](C)C[C@H]32)cnn1-c1ccc(Br)cc1 ZINC000644813013 565496860 /nfs/dbraw/zinc/49/68/60/565496860.db2.gz FGVRULISSXKORJ-CXAGYDPISA-N 1 0 389.297 2.719 20 0 GFADRO Cc1nc(C(=O)N2CC[C@@H]3C[N@@H+](C)C[C@@H]32)nn1-c1c(Cl)cccc1Cl ZINC000644818351 565497243 /nfs/dbraw/zinc/49/72/43/565497243.db2.gz LTZDBOCIFYSZRO-RISCZKNCSA-N 1 0 380.279 2.659 20 0 GFADRO O=C(Nc1cccc(I)c1)c1cc(C2CC[NH2+]CC2)no1 ZINC000595928862 565498568 /nfs/dbraw/zinc/49/85/68/565498568.db2.gz BIKWAUONMQAMGR-UHFFFAOYSA-N 1 0 397.216 2.999 20 0 GFADRO Cc1c2cc(C(=O)NCCCN3CC[NH+](C)CC3)[nH]c2ccc1Br ZINC000665490129 565501965 /nfs/dbraw/zinc/50/19/65/565501965.db2.gz PESDYRLKZNGGIL-UHFFFAOYSA-N 1 0 393.329 2.606 20 0 GFADRO COC(=O)c1sc2c(c1Br)CN(C(=O)[C@@H]1C[C@]13CCC[NH2+]C3)C2 ZINC000595988858 565503371 /nfs/dbraw/zinc/50/33/71/565503371.db2.gz DXLIBSAUABCHMY-QFYYESIMSA-N 1 0 399.310 2.529 20 0 GFADRO C[NH2+]C[C@@H](C)NC(=O)C[C@H](C)CCc1ccc(I)cc1 ZINC000595985135 565503639 /nfs/dbraw/zinc/50/36/39/565503639.db2.gz YFVNNVUXCAGKPG-CHWSQXEVSA-N 1 0 388.293 2.974 20 0 GFADRO C[NH+]1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2)CC1 ZINC000644950107 565503776 /nfs/dbraw/zinc/50/37/76/565503776.db2.gz SNTWRNFEDIXROI-UHFFFAOYSA-N 1 0 376.298 2.580 20 0 GFADRO Cc1ccc2c(c1Br)CN(C(=O)c1cnn3c1[C@H](C[NH3+])CCC3)C2 ZINC000595980982 565503857 /nfs/dbraw/zinc/50/38/57/565503857.db2.gz MJFFBAONBIXQRP-LBPRGKRZSA-N 1 0 389.297 2.946 20 0 GFADRO COCC(C)(C)[NH+]1CCN(C[C@H](O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000644946899 565504149 /nfs/dbraw/zinc/50/41/49/565504149.db2.gz QDWAJAPAYUNDFU-AWEZNQCLSA-N 1 0 391.339 2.776 20 0 GFADRO COC(=O)c1sc2c(c1Br)CN(C(=O)[C@H]1CC[NH2+][C@@H](C)C1)C2 ZINC000595997069 565504486 /nfs/dbraw/zinc/50/44/86/565504486.db2.gz KQYRGUNEAADNAF-IUCAKERBSA-N 1 0 387.299 2.528 20 0 GFADRO O=C(C[NH2+]Cc1c[nH]nc1-c1ccc(Br)s1)NCC(F)(F)F ZINC000623362244 565505533 /nfs/dbraw/zinc/50/55/33/565505533.db2.gz LXRABSYDJUNAIA-UHFFFAOYSA-N 1 0 397.220 2.669 20 0 GFADRO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)Nc1nnc(-c2ccsc2)s1 ZINC000665638927 565506789 /nfs/dbraw/zinc/50/67/89/565506789.db2.gz HACHEWOVTMDRGS-LBPRGKRZSA-N 1 0 382.559 2.660 20 0 GFADRO CN(CCCC[NH+](C)C)C(=O)C(=O)Nc1cc(Cl)ccc1OC(F)F ZINC000645026534 565509100 /nfs/dbraw/zinc/50/91/00/565509100.db2.gz KPLQPROWSLVZGG-UHFFFAOYSA-N 1 0 377.819 2.680 20 0 GFADRO Cc1cc(C[NH2+][C@@H]2CCN(c3ccccc3C(N)=O)C2)ncc1Br ZINC000623415266 565509266 /nfs/dbraw/zinc/50/92/66/565509266.db2.gz FROTXLMHUTXCEX-CYBMUJFWSA-N 1 0 389.297 2.620 20 0 GFADRO C[N@@H+]1CCCC[C@H]1CCSc1nnc(-c2cccs2)n1CCC(N)=O ZINC000623452853 565512148 /nfs/dbraw/zinc/51/21/48/565512148.db2.gz RMELUNMXFMGTNC-ZDUSSCGKSA-N 1 0 379.555 2.849 20 0 GFADRO O=C(COc1ccc(F)cc1Br)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000645112880 565512941 /nfs/dbraw/zinc/51/29/41/565512941.db2.gz TUNQTAXNPVDZBU-IUODEOHRSA-N 1 0 385.277 2.958 20 0 GFADRO Cc1cc(N2CCC[C@@H]([NH2+]Cc3cc(C)c(Br)cn3)C2)n(C)n1 ZINC000623509131 565515782 /nfs/dbraw/zinc/51/57/82/565515782.db2.gz UIABSBVYYOAYJE-CQSZACIVSA-N 1 0 378.318 2.953 20 0 GFADRO CCOc1cc(C[NH2+][C@@H]2CCS(=O)(=O)[C@@H]2C)cc(Br)c1OC ZINC000623718295 565526911 /nfs/dbraw/zinc/52/69/11/565526911.db2.gz BJPCKMUFPYTGGX-ZWNOBZJWSA-N 1 0 392.315 2.522 20 0 GFADRO Cc1c(Br)cncc1C[NH2+]CC(=O)Nc1ccc2c(c1)OCCO2 ZINC000623779568 565528669 /nfs/dbraw/zinc/52/86/69/565528669.db2.gz FZKHNVDBRFWWII-UHFFFAOYSA-N 1 0 392.253 2.652 20 0 GFADRO Fc1ccc(C[NH2+]C[C@@H]2CN(Cc3ccncc3)CCO2)cc1Br ZINC000623780522 565530181 /nfs/dbraw/zinc/53/01/81/565530181.db2.gz NRXYDDDLIDMLFM-MRXNPFEDSA-N 1 0 394.288 2.974 20 0 GFADRO O[C@H]1CCN(CC[NH2+]Cc2csc(-c3cccc(Br)c3)n2)C1 ZINC000623836989 565532828 /nfs/dbraw/zinc/53/28/28/565532828.db2.gz SRVPZEFORSBXML-HNNXBMFYSA-N 1 0 382.327 2.729 20 0 GFADRO Cc1ccc(Br)cc1[C@@H](C)[NH2+][C@H]1CCN(CCN2CCOCC2)C1 ZINC000623894812 565533803 /nfs/dbraw/zinc/53/38/03/565533803.db2.gz BRVWHIXBBYIIOA-AEFFLSMTSA-N 1 0 396.373 2.815 20 0 GFADRO O=S(=O)(c1ncccc1C(F)(F)F)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000645553376 565536858 /nfs/dbraw/zinc/53/68/58/565536858.db2.gz AGDNAAUYFSWTQP-CYBMUJFWSA-N 1 0 377.432 2.739 20 0 GFADRO C[C@H]1CCCC[N@@H+]1CCNC(=O)c1cc(Br)cc2[nH]c(=O)[nH]c21 ZINC000666426840 565537141 /nfs/dbraw/zinc/53/71/41/565537141.db2.gz JPTUKKPMJQILBD-JTQLQIEISA-N 1 0 381.274 2.635 20 0 GFADRO CS(=O)(=O)CC1(C[NH2+]Cc2cnn(Cc3ccccc3Cl)c2)CCC1 ZINC000666474211 565539299 /nfs/dbraw/zinc/53/92/99/565539299.db2.gz HLMQZDZMXOJZPD-UHFFFAOYSA-N 1 0 381.929 2.889 20 0 GFADRO CCOC(=O)c1cc(C(F)(F)F)sc1NC(=O)N(C)CC1C[NH+](C)C1 ZINC000596910678 565541844 /nfs/dbraw/zinc/54/18/44/565541844.db2.gz VVHCXUDPUDWLCK-UHFFFAOYSA-N 1 0 379.404 2.969 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCN(c2ccc3nncn3n2)C1)c1sccc1Br ZINC000624114891 565543737 /nfs/dbraw/zinc/54/37/37/565543737.db2.gz JNOLVZPYIWHKGI-WDEREUQCSA-N 1 0 393.314 2.878 20 0 GFADRO C[C@@H](Cc1ccc(Br)cc1)[NH2+][C@@H]1CCCC[C@H]1NS(C)(=O)=O ZINC000624137762 565545082 /nfs/dbraw/zinc/54/50/82/565545082.db2.gz UNOKVYNYHBHPCD-APHBMKBZSA-N 1 0 389.359 2.830 20 0 GFADRO CC[N@@H+]1CCN(C(=O)Nc2ccc(I)cc2F)C[C@@H]1C ZINC000597018195 565546028 /nfs/dbraw/zinc/54/60/28/565546028.db2.gz OOPCAUQPZCHJBX-JTQLQIEISA-N 1 0 391.228 2.988 20 0 GFADRO C[NH+]1CCC(CNC(=O)Nc2ccc(I)cc2F)CC1 ZINC000597019314 565546285 /nfs/dbraw/zinc/54/62/85/565546285.db2.gz YCOOLZFDMZCPGY-UHFFFAOYSA-N 1 0 391.228 2.894 20 0 GFADRO Cn1cc(Br)c(C(=O)N2CC[C@H]([N@H+](C)Cc3ccccc3)C2)n1 ZINC000645636665 565546416 /nfs/dbraw/zinc/54/64/16/565546416.db2.gz ALJSTCOLUPZABS-AWEZNQCLSA-N 1 0 377.286 2.529 20 0 GFADRO COC[C@](C)(NC(=O)[C@@H]1C[N@@H+](C(C)(C)C)C[C@H]1C(F)(F)F)C(F)(F)F ZINC000645657551 565548470 /nfs/dbraw/zinc/54/84/70/565548470.db2.gz KQHPHDDKZUPLRV-BREBYQMCSA-N 1 0 378.357 2.979 20 0 GFADRO CCOC(=O)C[C@@H](NC(=O)NC[C@@H](c1ccsc1)[NH+](C)C)C(F)(F)F ZINC000597023357 565548460 /nfs/dbraw/zinc/54/84/60/565548460.db2.gz SFBABVAMZNCBFE-NWDGAFQWSA-N 1 0 381.420 2.534 20 0 GFADRO C[N@@H+]1CC[C@H](CNC(=O)Nc2ccc(I)cc2F)C1 ZINC000597024773 565548503 /nfs/dbraw/zinc/54/85/03/565548503.db2.gz PLFCYMNLSYRXAQ-SECBINFHSA-N 1 0 377.201 2.504 20 0 GFADRO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)Nc2cn(C)cc(Br)c2=O)C1 ZINC000666690327 565548757 /nfs/dbraw/zinc/54/87/57/565548757.db2.gz MXKPQKQHERWHAO-LBPRGKRZSA-N 1 0 399.333 2.780 20 0 GFADRO C[NH+]1CCC(O)(CNC(=O)c2cc(Br)c3ccccc3c2)CC1 ZINC000645669438 565549643 /nfs/dbraw/zinc/54/96/43/565549643.db2.gz DCOSAIQBKXACJX-UHFFFAOYSA-N 1 0 377.282 2.789 20 0 GFADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)Nc3cccc(Br)c3F)C2)CC1 ZINC000597073464 565550522 /nfs/dbraw/zinc/55/05/22/565550522.db2.gz IOYNEYWGYARNLW-CYBMUJFWSA-N 1 0 399.308 2.832 20 0 GFADRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC[C@H]1C(F)(F)F ZINC000624389503 565554649 /nfs/dbraw/zinc/55/46/49/565554649.db2.gz CJKHPXRNMWEGEJ-GDBMZVCRSA-N 1 0 376.444 2.713 20 0 GFADRO COc1cc(Br)c(S(=O)(=O)N[C@H]2CC[C@H](C)[NH2+]C2)cc1Cl ZINC000624405824 565555547 /nfs/dbraw/zinc/55/55/47/565555547.db2.gz QVMHPXAXBQDEOY-IUCAKERBSA-N 1 0 397.722 2.530 20 0 GFADRO O=S(=O)(Cc1ccc(Br)cc1Cl)N1CCn2cncc2C1 ZINC000645717577 565555505 /nfs/dbraw/zinc/55/55/05/565555505.db2.gz DDFLHMNOMJAUSE-UHFFFAOYSA-N 1 0 390.690 2.645 20 0 GFADRO Cc1nc2ccc(S(=O)(=O)N3CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C3)cc2s1 ZINC000624392693 565555931 /nfs/dbraw/zinc/55/59/31/565555931.db2.gz XHIUBDMHWCKSCQ-JQWIXIFHSA-N 1 0 393.456 2.753 20 0 GFADRO [NH3+]C[C@@H]1CN(S(=O)(=O)C2CCC(C(F)(F)F)CC2)CC[C@H]1C(F)(F)F ZINC000624392686 565556008 /nfs/dbraw/zinc/55/60/08/565556008.db2.gz XFWHIPIDLZBVHX-HBIQZDMRSA-N 1 0 396.397 2.896 20 0 GFADRO Cc1cc(C)c(NC(=O)N(CC[NH+](C)C)CC(=O)N(C)C)cc1Br ZINC000666798623 565557023 /nfs/dbraw/zinc/55/70/23/565557023.db2.gz PTSOWXOLIBNEPS-UHFFFAOYSA-N 1 0 399.333 2.550 20 0 GFADRO Cc1c(Br)cccc1NC(=O)C(=O)N1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000645818889 565565012 /nfs/dbraw/zinc/56/50/12/565565012.db2.gz SJUCKWOJYJLOPH-SFHVURJKSA-N 1 0 394.313 2.640 20 0 GFADRO O=C(NCC1C[NH2+]C1)Nc1ccc(Oc2cccc(Br)c2)nc1 ZINC000667005584 565565257 /nfs/dbraw/zinc/56/52/57/565565257.db2.gz FHKSJHNMZMMFFK-UHFFFAOYSA-N 1 0 377.242 2.977 20 0 GFADRO Cc1ccc(I)cc1C(=O)NCC12CCC[NH+]1CCC2 ZINC000597586405 565565377 /nfs/dbraw/zinc/56/53/77/565565377.db2.gz CEYAUVIWLSZQMY-UHFFFAOYSA-N 1 0 384.261 2.958 20 0 GFADRO O=C(Cc1cccc(Br)c1)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000624609625 565565737 /nfs/dbraw/zinc/56/57/37/565565737.db2.gz FTSNGEKPJZFEKS-KRWDZBQOSA-N 1 0 381.314 2.705 20 0 GFADRO CC[C@H]1C[N@H+](C)CCCN1C(=O)c1ccc(F)c(I)c1 ZINC000597604466 565567169 /nfs/dbraw/zinc/56/71/69/565567169.db2.gz IMSCEUJBYUZEDS-LBPRGKRZSA-N 1 0 390.240 2.987 20 0 GFADRO C[C@@H]([NH2+]C1CC1)C(=O)N1CCC(C(=O)Nc2cccc(Br)c2)CC1 ZINC000645841712 565567729 /nfs/dbraw/zinc/56/77/29/565567729.db2.gz FFHOHQGUSXAMQP-GFCCVEGCSA-N 1 0 394.313 2.767 20 0 GFADRO O=C(Nc1cc(Br)ccc1-n1cccn1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000667088234 565569208 /nfs/dbraw/zinc/56/92/08/565569208.db2.gz YMPIPQMMJJCRNV-SWLSCSKDSA-N 1 0 390.285 2.851 20 0 GFADRO O=C(Nc1cc(Br)ccc1-n1cccn1)N[C@@H]1CCC[NH2+]CC1 ZINC000667088174 565569266 /nfs/dbraw/zinc/56/92/66/565569266.db2.gz HLYFEQXEHFRHNH-CYBMUJFWSA-N 1 0 378.274 2.898 20 0 GFADRO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)c1cc(I)ccc1F ZINC000597700975 565570982 /nfs/dbraw/zinc/57/09/82/565570982.db2.gz PQRQYDDAPCBAFC-NOZJJQNGSA-N 1 0 376.213 2.595 20 0 GFADRO CN1CCOC[C@H]1CNC(=O)N1CCC(c2ccc(Br)cc2)CC1 ZINC000624731344 565573034 /nfs/dbraw/zinc/57/30/34/565573034.db2.gz JELOKQBPMIYJFB-QGZVFWFLSA-N 1 0 396.329 2.669 20 0 GFADRO CN1CCOC[C@@H]1CNC(=O)N1CCC[C@@H]1c1ccc(Br)s1 ZINC000624734512 565573739 /nfs/dbraw/zinc/57/37/39/565573739.db2.gz ZVMRWNKPCWRIFH-NWDGAFQWSA-N 1 0 388.331 2.688 20 0 GFADRO O=C(NC[C@@H]1CCCC[NH2+]1)Nc1cnn(-c2ccccc2Br)c1 ZINC000667276215 565580103 /nfs/dbraw/zinc/58/01/03/565580103.db2.gz QNANKSQOYXERCX-LBPRGKRZSA-N 1 0 378.274 2.898 20 0 GFADRO COc1cc(NC(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)cc(OC)c1Br ZINC000667324481 565581273 /nfs/dbraw/zinc/58/12/73/565581273.db2.gz OJZSZVMDXAPVGW-JQWIXIFHSA-N 1 0 384.274 2.682 20 0 GFADRO C[C@H]([NH3+])[C@H]1CN(C(=O)Nc2ccn(-c3ccc(Cl)cc3Cl)n2)CCO1 ZINC000667316070 565581302 /nfs/dbraw/zinc/58/13/02/565581302.db2.gz UGLCLSNUHRZQHS-IINYFYTJSA-N 1 0 384.267 2.759 20 0 GFADRO C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)[C@@H]2[NH2+]CC2(C)C)CC1 ZINC000646089765 565585842 /nfs/dbraw/zinc/58/58/42/565585842.db2.gz GKKSLTMTLZQPFY-CJNGLKHVSA-N 1 0 380.330 2.652 20 0 GFADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)Cc1ccc(=O)[nH]c1 ZINC000667428000 565586474 /nfs/dbraw/zinc/58/64/74/565586474.db2.gz VZXMGCNJMYNLNP-UHFFFAOYSA-N 1 0 392.297 2.683 20 0 GFADRO O=C(NCC1CC[NH2+]CC1)Nc1ccnn1Cc1ccccc1Br ZINC000667430864 565586495 /nfs/dbraw/zinc/58/64/95/565586495.db2.gz PGYCXSCPEWFTPI-UHFFFAOYSA-N 1 0 392.301 2.815 20 0 GFADRO Cc1nccc(NC(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1Br ZINC000667450558 565588059 /nfs/dbraw/zinc/58/80/59/565588059.db2.gz ACDZFVWSGSZJDQ-KGLIPLIRSA-N 1 0 381.318 2.818 20 0 GFADRO CC(C)c1cc(Br)ccc1NC(=O)C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000667504780 565591190 /nfs/dbraw/zinc/59/11/90/565591190.db2.gz NAOYVVMEMWZPJL-ZDUSSCGKSA-N 1 0 382.302 2.769 20 0 GFADRO CC[N@@H+]1CCC[C@H](CNC(=O)c2cc(Br)cc3c2OCCO3)C1 ZINC000667563000 565594158 /nfs/dbraw/zinc/59/41/58/565594158.db2.gz RCCIKBLWQAYQRM-GFCCVEGCSA-N 1 0 383.286 2.682 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)C(=O)N1CC[C@@H]([NH3+])[C@@H](CC)C1 ZINC000667550229 565594887 /nfs/dbraw/zinc/59/48/87/565594887.db2.gz IEKIAXPZLKUMJX-GXTWGEPZSA-N 1 0 382.302 2.536 20 0 GFADRO Cc1cc(Br)c(F)cc1S(=O)(=O)N1CCC[C@H]1C[NH+](C)C ZINC000625067572 565595077 /nfs/dbraw/zinc/59/50/77/565595077.db2.gz RCKLHFIMPYYEKL-NSHDSACASA-N 1 0 379.295 2.611 20 0 GFADRO O=C(Nc1ccc(Br)cc1)C(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000667638260 565598470 /nfs/dbraw/zinc/59/84/70/565598470.db2.gz NLHJXCOQMHHOSC-KGLIPLIRSA-N 1 0 394.313 2.626 20 0 GFADRO COC(=O)[C@@H](NC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C)c1ccccc1Br ZINC000598184050 565598813 /nfs/dbraw/zinc/59/88/13/565598813.db2.gz KSJIEPLRFRXEQE-OZVIIMIRSA-N 1 0 383.286 2.652 20 0 GFADRO COC(=O)[C@H](NC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C)c1ccccc1Br ZINC000598184046 565598977 /nfs/dbraw/zinc/59/89/77/565598977.db2.gz KSJIEPLRFRXEQE-BFQNTYOBSA-N 1 0 383.286 2.652 20 0 GFADRO CCC(=O)N[C@H]1CCCN([C@@H]2CCc3cc(Br)ccc3NC2=O)C1 ZINC000625119191 565599690 /nfs/dbraw/zinc/59/96/90/565599690.db2.gz MPKVURYWORLJTP-GOEBONIOSA-N 1 0 394.313 2.693 20 0 GFADRO CC[NH+](CC)CC[C@@H](CO)NC(=O)Nc1cccc(Br)c1F ZINC000667919680 565613008 /nfs/dbraw/zinc/61/30/08/565613008.db2.gz LWOQBOLHMQSGKJ-NSHDSACASA-N 1 0 376.270 2.803 20 0 GFADRO O=C(Nc1cccc(Br)c1F)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000667924691 565615327 /nfs/dbraw/zinc/61/53/27/565615327.db2.gz YHZURAXLKRVXQV-UONOGXRCSA-N 1 0 386.265 2.651 20 0 GFADRO CCCN(C(=O)C(=O)Nc1cc(Br)c(C)cc1C)[C@H]1CC[N@H+](C)C1 ZINC000646763816 565617645 /nfs/dbraw/zinc/61/76/45/565617645.db2.gz JDKQNZUKEDDODD-AWEZNQCLSA-N 1 0 396.329 2.947 20 0 GFADRO COCC[N@@H+]1CCC[C@H](NC(=O)[C@H]2[C@@H]3c4cccc(Br)c4C[C@H]23)C1 ZINC000625326675 565618413 /nfs/dbraw/zinc/61/84/13/565618413.db2.gz XKITWOHFDJRZTQ-PWUKJLEFSA-N 1 0 393.325 2.562 20 0 GFADRO Cn1cc(C(C)(C)[NH2+][C@H]2CCc3cc(Br)ccc3NC2=O)cn1 ZINC000625326581 565618989 /nfs/dbraw/zinc/61/89/89/565618989.db2.gz RLQSNOGWEUFAKP-HNNXBMFYSA-N 1 0 377.286 2.961 20 0 GFADRO COCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2[C@@H]3Cc4c(cccc4Br)[C@@H]32)C1 ZINC000625326673 565619347 /nfs/dbraw/zinc/61/93/47/565619347.db2.gz XKITWOHFDJRZTQ-LGRHPFTQSA-N 1 0 393.325 2.562 20 0 GFADRO CCOCCOCC[N@H+](C)[C@@H]1CCc2cc(Br)ccc2NC1=O ZINC000625363184 565623465 /nfs/dbraw/zinc/62/34/65/565623465.db2.gz PSXZHIUEVXYNHU-MRXNPFEDSA-N 1 0 385.302 2.687 20 0 GFADRO CCN(Cc1ccc(Cl)s1)C(=O)C(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000625367505 565623736 /nfs/dbraw/zinc/62/37/36/565623736.db2.gz ZISVBYSLCKYERY-AWEZNQCLSA-N 1 0 383.945 2.883 20 0 GFADRO CC(C)[C@H]1CN(C(=O)c2cc(I)ccc2F)CC[NH2+]1 ZINC000598571251 565627777 /nfs/dbraw/zinc/62/77/77/565627777.db2.gz INKCPHPCMFJYEJ-CYBMUJFWSA-N 1 0 376.213 2.500 20 0 GFADRO C[N@@H+]1CCCC[C@@H](CNS(=O)(=O)Cc2cc(F)ccc2Br)C1 ZINC000625426443 565629341 /nfs/dbraw/zinc/62/93/41/565629341.db2.gz WSGHZEJYYCDDOT-LBPRGKRZSA-N 1 0 393.322 2.740 20 0 GFADRO Cc1cc(Br)cc(S(=O)(=O)NC[C@@H]2CCCC[N@@H+](C)C2)c1 ZINC000625422248 565630112 /nfs/dbraw/zinc/63/01/12/565630112.db2.gz POYHZQVBTPXSBJ-ZDUSSCGKSA-N 1 0 375.332 2.768 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H](NC(=O)[C@@H](c2ccc(Br)cc2)N2CCCC2)C1 ZINC000646996895 565631453 /nfs/dbraw/zinc/63/14/53/565631453.db2.gz CBTOFIULNNHHSZ-BRWVUGGUSA-N 1 0 380.330 2.972 20 0 GFADRO CC1([NH3+])CCN(C(=O)c2nn(-c3ccc(F)cc3)cc2Br)CC1 ZINC000646994141 565631482 /nfs/dbraw/zinc/63/14/82/565631482.db2.gz XRDVGYRHGZSNNF-UHFFFAOYSA-N 1 0 381.249 2.727 20 0 GFADRO CC[C@@H]1CN(C(=O)c2cc(=O)[nH]c3c(Br)cccc23)CC[C@@H]1[NH3+] ZINC000647007668 565632020 /nfs/dbraw/zinc/63/20/20/565632020.db2.gz FLBCVBMJNPBOOU-YGRLFVJLSA-N 1 0 378.270 2.902 20 0 GFADRO CC[C@H]1CN(C(=O)c2ccn(-c3cccc(Br)c3)n2)CC[C@H]1[NH3+] ZINC000647011676 565632247 /nfs/dbraw/zinc/63/22/47/565632247.db2.gz IUDSVVIMPDUNPX-SWLSCSKDSA-N 1 0 377.286 2.834 20 0 GFADRO O=c1cccc2n1C[C@H]1C[C@@H]2CN(Cc2c(F)cncc2Br)C1 ZINC000668205707 565632408 /nfs/dbraw/zinc/63/24/08/565632408.db2.gz WGITYFQRGNSFNQ-NWDGAFQWSA-N 1 0 378.245 2.764 20 0 GFADRO O=C1Nc2ccc(Br)cc2CC[C@@H]1[N@@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000625483930 565633646 /nfs/dbraw/zinc/63/36/46/565633646.db2.gz QSIXRKGWNIYJBO-ZBFHGGJFSA-N 1 0 390.285 2.631 20 0 GFADRO COc1ccc(C[C@H](CO)C[NH2+][C@@H]2CO[C@H](C3CC3)C2)cc1Br ZINC000668224281 565633549 /nfs/dbraw/zinc/63/35/49/565633549.db2.gz IYRPZHMLZMDKRM-YEWWUXTCSA-N 1 0 384.314 2.766 20 0 GFADRO C[C@H](CCC[NH3+])NC(=O)c1sccc1S(=O)(=O)NC1CCCCCC1 ZINC000647064237 565635377 /nfs/dbraw/zinc/63/53/77/565635377.db2.gz OLQRRGUKPJUKEI-CYBMUJFWSA-N 1 0 387.571 2.606 20 0 GFADRO O=C1Nc2ccc(Br)cc2CC[C@H]1[N@@H+]1CCC[C@@](O)(C2CC2)C1 ZINC000625537326 565636111 /nfs/dbraw/zinc/63/61/11/565636111.db2.gz QEQCNGQQADOEFX-AEFFLSMTSA-N 1 0 379.298 2.939 20 0 GFADRO C[N@@H+]1CCC[C@H](NC(=O)Cc2ccc(Br)c(Br)c2)C1 ZINC000668330643 565641250 /nfs/dbraw/zinc/64/12/50/565641250.db2.gz WJBMBUYWRGEIDB-NSHDSACASA-N 1 0 390.119 2.965 20 0 GFADRO CC(C)(C)NS(=O)(=O)c1ccc(Cl)c(-c2nc([C@@H]3CCC[NH2+]3)no2)c1 ZINC000647147937 565641654 /nfs/dbraw/zinc/64/16/54/565641654.db2.gz BRRSPWGSALJQCE-ZDUSSCGKSA-N 1 0 384.889 2.891 20 0 GFADRO CC(C)(CNC(=O)C(=O)NCc1ccc(Cl)c(Cl)c1)[NH+]1CCCCC1 ZINC000668365500 565643423 /nfs/dbraw/zinc/64/34/23/565643423.db2.gz LNFRRNLBGOPECW-UHFFFAOYSA-N 1 0 386.323 2.990 20 0 GFADRO COCCN1CC[C@@H]([NH2+]Cc2cc(OC(F)F)ccc2Br)C1 ZINC000647181909 565643913 /nfs/dbraw/zinc/64/39/13/565643913.db2.gz XUZAUWZEFHISCM-GFCCVEGCSA-N 1 0 379.245 2.861 20 0 GFADRO COc1ccccc1[C@@H]([NH3+])CNS(=O)(=O)c1ccc(Br)cc1C ZINC000647187900 565643991 /nfs/dbraw/zinc/64/39/91/565643991.db2.gz ZWPVBDLZAOMNIE-AWEZNQCLSA-N 1 0 399.310 2.744 20 0 GFADRO C[NH2+]CC1CCN(S(=O)(=O)Cc2ccc(Cl)cc2Br)CC1 ZINC000647217039 565647451 /nfs/dbraw/zinc/64/74/51/565647451.db2.gz WRFYLWLARPPICC-UHFFFAOYSA-N 1 0 395.750 2.864 20 0 GFADRO C[NH+](C)C1(CNC(=O)[C@@H]2[C@@H]3Cc4c(cccc4Br)[C@@H]32)CCOCC1 ZINC000625615034 565647530 /nfs/dbraw/zinc/64/75/30/565647530.db2.gz KWUATEDDIJQZJC-HYVNUMGLSA-N 1 0 393.325 2.562 20 0 GFADRO Cn1cnc(CCC[NH2+]Cc2cccc(Br)c2OC(F)F)n1 ZINC000647231325 565647718 /nfs/dbraw/zinc/64/77/18/565647718.db2.gz SDKDLYPPILGTMQ-UHFFFAOYSA-N 1 0 375.217 2.901 20 0 GFADRO C[C@@H]1Cc2cc(S(=O)(=O)N3CCC[C@@H]([C@@H]4CCC[NH2+]4)C3)cc(Cl)c2O1 ZINC000647237587 565648094 /nfs/dbraw/zinc/64/80/94/565648094.db2.gz HEPFYZKXBXOIFC-XNJGSVPQSA-N 1 0 384.929 2.816 20 0 GFADRO O=S(=O)(c1cc(F)ccc1OC(F)F)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000647238104 565648298 /nfs/dbraw/zinc/64/82/98/565648298.db2.gz FEYKGIYGOQVJPQ-DGCLKSJQSA-N 1 0 378.416 2.580 20 0 GFADRO Cn1cncc1CC[NH2+]Cc1c(F)ccc(I)c1F ZINC000598917957 565648916 /nfs/dbraw/zinc/64/89/16/565648916.db2.gz NPRRHEPCGICZEC-UHFFFAOYSA-N 1 0 377.176 2.635 20 0 GFADRO CC(C)[C@H]1CN(S(=O)(=O)c2cccc(Br)c2Cl)CC[NH2+]1 ZINC000647255644 565649697 /nfs/dbraw/zinc/64/96/97/565649697.db2.gz IUJOBOHOVGRFQT-LLVKDONJSA-N 1 0 381.723 2.721 20 0 GFADRO CO[C@@H](CS(=O)(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1)C(C)C ZINC000647266954 565650381 /nfs/dbraw/zinc/65/03/81/565650381.db2.gz LWAYXJKRODIERP-SFHVURJKSA-N 1 0 386.583 2.691 20 0 GFADRO CO[C@@H]1CS(=O)(=O)C[C@H]1[NH2+][C@H](C)Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC000668506646 565650574 /nfs/dbraw/zinc/65/05/74/565650574.db2.gz LKPCXEMCJVCZBP-OWYVNGRQSA-N 1 0 385.835 2.691 20 0 GFADRO C[C@@H]1C[C@H](C[NH3+])CN1S(=O)(=O)Cc1ccc(Br)cc1Cl ZINC000647265509 565650893 /nfs/dbraw/zinc/65/08/93/565650893.db2.gz PNEUUWWUQZTKST-NXEZZACHSA-N 1 0 381.723 2.601 20 0 GFADRO CS(=O)(=O)N1CCC([NH2+][C@@H]2CCc3[nH]c4ccc(Cl)cc4c3C2)CC1 ZINC000647321633 565658257 /nfs/dbraw/zinc/65/82/57/565658257.db2.gz BNNLRVRXVCYGOD-CQSZACIVSA-N 1 0 381.929 2.692 20 0 GFADRO CCCOc1c(Br)cc(CN2CCC(=O)N(C)CC2)cc1OC ZINC000668621268 565658208 /nfs/dbraw/zinc/65/82/08/565658208.db2.gz GCBPCUKSQPLEHW-UHFFFAOYSA-N 1 0 385.302 2.911 20 0 GFADRO COc1cc(Br)ccc1[C@H]1CCC[N@@H+]1C[C@H](O)Cn1cccn1 ZINC000625791544 565659887 /nfs/dbraw/zinc/65/98/87/565659887.db2.gz GGONLOPZHKIZTK-GOEBONIOSA-N 1 0 380.286 2.852 20 0 GFADRO CC[C@@H]1CN(c2ncnc3cc(I)sc32)C[C@H](C)[NH2+]1 ZINC000599179707 565660147 /nfs/dbraw/zinc/66/01/47/565660147.db2.gz RORMGKZEKDKZKP-DTWKUNHWSA-N 1 0 388.278 2.873 20 0 GFADRO OC[C@]1([NH2+]CCO[C@@H]2CC2(F)F)CCc2cc(Br)ccc2C1 ZINC000625796022 565660701 /nfs/dbraw/zinc/66/07/01/565660701.db2.gz CVOVNXQIYXXNPE-CABCVRRESA-N 1 0 376.241 2.683 20 0 GFADRO CNC(=O)c1cccc(NC(=O)N[C@@H]2CC[NH2+]C23CCCC3)c1Br ZINC000647476625 565661322 /nfs/dbraw/zinc/66/13/22/565661322.db2.gz QBJFDGZLXLBGBN-CYBMUJFWSA-N 1 0 395.301 2.605 20 0 GFADRO O=C1CCCN1C[C@@H]1CC[N@@H+](Cc2cc(Br)cc3c2OCC3)C1 ZINC000668715252 565662019 /nfs/dbraw/zinc/66/20/19/565662019.db2.gz IKUXOAPZYTZHTL-CYBMUJFWSA-N 1 0 379.298 2.828 20 0 GFADRO COc1cc(Br)c(C[NH2+]C[C@H]2CC(=O)N(C(C)(C)C)C2)cc1O ZINC000668693798 565662033 /nfs/dbraw/zinc/66/20/33/565662033.db2.gz WATLVJWQMMEBLG-LLVKDONJSA-N 1 0 385.302 2.900 20 0 GFADRO C[N@@H+]1CCCN(CCCNC(=O)c2c(Cl)cccc2Br)CC1 ZINC000668698316 565662147 /nfs/dbraw/zinc/66/21/47/565662147.db2.gz ZXVRVJKAVKCNES-UHFFFAOYSA-N 1 0 388.737 2.860 20 0 GFADRO CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@@H](C)Cc2ccc(Cl)cc2Cl)C1 ZINC000668722633 565663278 /nfs/dbraw/zinc/66/32/78/565663278.db2.gz ZTPWGPXVTXXNPA-WFASDCNBSA-N 1 0 386.323 2.641 20 0 GFADRO [NH3+]CCCOCCNC(=O)Nc1cc(Br)ccc1N1CCCC1 ZINC000625868773 565663855 /nfs/dbraw/zinc/66/38/55/565663855.db2.gz MKLXRKQQDKXJKF-UHFFFAOYSA-N 1 0 385.306 2.536 20 0 GFADRO C[NH2+]CCOCCN(C)C(=O)Nc1cc(F)c(Br)cc1Cl ZINC000625885672 565664450 /nfs/dbraw/zinc/66/44/50/565664450.db2.gz KYWWYBPCYWIJMF-UHFFFAOYSA-N 1 0 382.661 2.941 20 0 GFADRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)Nc1ccnn1Cc1cccc(Br)c1 ZINC000625880944 565664826 /nfs/dbraw/zinc/66/48/26/565664826.db2.gz WLOVIXPDCJIHQH-LSDHHAIUSA-N 1 0 392.301 2.956 20 0 GFADRO C[NH2+][C@H]1CCN(C(=O)c2c(C)nn(-c3ccc(Br)cc3)c2C)C1 ZINC000647613707 565665988 /nfs/dbraw/zinc/66/59/88/565665988.db2.gz JZYMUFHGDYMPKJ-AWEZNQCLSA-N 1 0 377.286 2.686 20 0 GFADRO CCN(C(=O)C(=O)NC[C@@H](C)c1c(Cl)cccc1Cl)[C@@H]1CC[N@H+](C)C1 ZINC000668781280 565666380 /nfs/dbraw/zinc/66/63/80/565666380.db2.gz ONEQBDMMPHPYHK-CHWSQXEVSA-N 1 0 386.323 2.766 20 0 GFADRO C[NH+](C)C[C@@]1(O)CCCN(C(=O)c2cc(Cl)cc(F)c2Br)C1 ZINC000647624702 565667221 /nfs/dbraw/zinc/66/72/21/565667221.db2.gz KIHCCUFMYQVRBE-HNNXBMFYSA-N 1 0 393.684 2.770 20 0 GFADRO CC1CC[NH+](C[C@@H](O)CNC(=O)C2(c3cccc(Br)c3)CC2)CC1 ZINC000599275630 565667649 /nfs/dbraw/zinc/66/76/49/565667649.db2.gz WYXBKZOPYHINIL-KRWDZBQOSA-N 1 0 395.341 2.690 20 0 GFADRO CN(C)C[C@H]([NH2+]C[C@@H](O)COC[C@H]1CCCO1)c1ccc(Cl)c(Cl)c1 ZINC000625983730 565668603 /nfs/dbraw/zinc/66/86/03/565668603.db2.gz YYZDKXIGKBKKRO-RKVPGOIHSA-N 1 0 391.339 2.742 20 0 GFADRO CN(CCCC[NH+](C)C)C(=O)[C@@H]1CCO[C@H]1c1cncc(Br)c1 ZINC000668950257 565671800 /nfs/dbraw/zinc/67/18/00/565671800.db2.gz NEHBOXYEMSZTRB-CVEARBPZSA-N 1 0 384.318 2.722 20 0 GFADRO Cc1cc(N2CCC[C@H]([N@H+](C)C[C@H]3C[C@@H](O)C3)C2=O)ccc1Br ZINC000626046392 565672152 /nfs/dbraw/zinc/67/21/52/565672152.db2.gz BHJSPTZVFVXWRK-LXZKKBNFSA-N 1 0 381.314 2.956 20 0 GFADRO Cc1cc(C(=O)N2CC[C@@H]([N@@H+]3CC[C@H](O)C3)C2)cc(Cl)c1Br ZINC000647707652 565672267 /nfs/dbraw/zinc/67/22/67/565672267.db2.gz BEJNTVRLWQWXPL-OLZOCXBDSA-N 1 0 387.705 2.692 20 0 GFADRO C[C@H]1C[C@H](c2ccc(Br)cc2)C[N@@H+]1CCCN1C(=O)CNC1=O ZINC000626040203 565672367 /nfs/dbraw/zinc/67/23/67/565672367.db2.gz ZCJNKEUVWJWCTD-JSGCOSHPSA-N 1 0 380.286 2.569 20 0 GFADRO C[C@H]1C[C@H](N(C)C(=O)c2cc(Br)cc3[nH]c(=O)[nH]c32)CC[N@@H+]1C ZINC000669129019 565677933 /nfs/dbraw/zinc/67/79/33/565677933.db2.gz RYSMNNASKUSZRI-GXSJLCMTSA-N 1 0 381.274 2.586 20 0 GFADRO CS(=O)(=O)Nc1cc(C(=O)NCC[NH2+]C2CCCCCC2)ccc1Cl ZINC000647838076 565679724 /nfs/dbraw/zinc/67/97/24/565679724.db2.gz VDVXUFIRJZOGEZ-UHFFFAOYSA-N 1 0 387.933 2.754 20 0 GFADRO [NH3+][C@@H](Cc1ccccc1)[C@@H](O)CN1CCc2c(Br)cccc2C1 ZINC000647883344 565680846 /nfs/dbraw/zinc/68/08/46/565680846.db2.gz GOFSQCXPWFRFKA-OALUTQOASA-N 1 0 375.310 2.738 20 0 GFADRO C[NH+]1CCC(CCO)(NCc2cc(OC(F)F)ccc2Br)CC1 ZINC000648023772 565688350 /nfs/dbraw/zinc/68/83/50/565688350.db2.gz HHXDIJOTQWEHME-UHFFFAOYSA-N 1 0 393.272 2.987 20 0 GFADRO FC(F)Oc1ccc(Br)c(C[NH2+]CCN2CCCOCC2)c1 ZINC000648035383 565688521 /nfs/dbraw/zinc/68/85/21/565688521.db2.gz AOZQVJLLICLQMC-UHFFFAOYSA-N 1 0 379.245 2.862 20 0 GFADRO Brc1cccc(N2CC[NH+](C[C@H]3CNc4ccnn4C3)CC2)c1 ZINC000648032402 565688887 /nfs/dbraw/zinc/68/88/87/565688887.db2.gz FQQZCEFMZJXDJV-CQSZACIVSA-N 1 0 376.302 2.510 20 0 GFADRO C[C@H](C(=O)Nc1ccc(I)cc1)[N@H+](C)CC1(C)COC1 ZINC000599571613 565689006 /nfs/dbraw/zinc/68/90/06/565689006.db2.gz NPKSMHCOKFWHIY-LLVKDONJSA-N 1 0 388.249 2.587 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)NC[C@H]1CCCC[NH2+]1 ZINC000669431778 565689097 /nfs/dbraw/zinc/68/90/97/565689097.db2.gz YOLCRQKRAVYNAX-CQSZACIVSA-N 1 0 397.317 2.527 20 0 GFADRO Cc1cc(I)ccc1NC(=O)C[N@@H+](C)CC1(C)COC1 ZINC000599571632 565689380 /nfs/dbraw/zinc/68/93/80/565689380.db2.gz OHTBPUZQOURGLT-UHFFFAOYSA-N 1 0 388.249 2.506 20 0 GFADRO CCCS(=O)(=O)Nc1cc(NC(=O)[C@H]2CCCCC[NH2+]2)c(F)cc1F ZINC000648054080 565689893 /nfs/dbraw/zinc/68/98/93/565689893.db2.gz PWCLQXCTEXZYTN-CYBMUJFWSA-N 1 0 375.441 2.587 20 0 GFADRO C[C@H]1CC[C@H](NC(=O)Nc2cc(F)c(I)c(F)c2)C[NH2+]1 ZINC000599598081 565691451 /nfs/dbraw/zinc/69/14/51/565691451.db2.gz NUIOGFYCYBGYGC-YUMQZZPRSA-N 1 0 395.191 2.831 20 0 GFADRO COc1cc(I)ccc1NC(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000599604518 565692417 /nfs/dbraw/zinc/69/24/17/565692417.db2.gz AXFVVYIXIMQKCN-ONGXEEELSA-N 1 0 389.237 2.562 20 0 GFADRO CC[C@@]1(C(=O)N[C@@H]2CCN(c3ccc(Br)c(C)c3)C2=O)CCC[NH2+]1 ZINC000648164014 565692530 /nfs/dbraw/zinc/69/25/30/565692530.db2.gz QNQATSDRGOMMJW-QAPCUYQASA-N 1 0 394.313 2.511 20 0 GFADRO O=C(N[C@H](CC(F)(F)F)c1ccc(Br)cc1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000669559067 565692486 /nfs/dbraw/zinc/69/24/86/565692486.db2.gz ABHNGZLTMZGVES-XQHKEYJVSA-N 1 0 392.219 2.960 20 0 GFADRO O=C(N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)N[C@H]1CCC[NH2+]CC1 ZINC000669553884 565692666 /nfs/dbraw/zinc/69/26/66/565692666.db2.gz KRJJBXQOWPDDHV-XHDPSFHLSA-N 1 0 385.295 2.540 20 0 GFADRO C[C@H](Cc1ccc(F)c(Br)c1)NC(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000669535338 565692775 /nfs/dbraw/zinc/69/27/75/565692775.db2.gz COXFQADIDBVFOD-PVXIVEMSSA-N 1 0 384.293 2.913 20 0 GFADRO O=C(N[C@@H](CC(F)(F)F)c1ccc(Br)cc1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000669559065 565692784 /nfs/dbraw/zinc/69/27/84/565692784.db2.gz ABHNGZLTMZGVES-QNWHQSFQSA-N 1 0 392.219 2.960 20 0 GFADRO C[C@@H](CC(=O)NCC[N@H+](C)Cc1ccccc1)n1cc(Br)cn1 ZINC000648255373 565697839 /nfs/dbraw/zinc/69/78/39/565697839.db2.gz ZTLNZQRBIWEKOV-AWEZNQCLSA-N 1 0 379.302 2.845 20 0 GFADRO O=C(N[C@@H]1CCOc2c(Br)cccc21)[C@H]1CCc2nccn2C1 ZINC000669727269 565700562 /nfs/dbraw/zinc/70/05/62/565700562.db2.gz FKYTUOGYBSDMHL-SMDDNHRTSA-N 1 0 376.254 2.848 20 0 GFADRO Brc1cnc(NCc2ccc(OCC[NH+]3CCCC3)cc2)nc1 ZINC000599950455 565707815 /nfs/dbraw/zinc/70/78/15/565707815.db2.gz YEHIQXOVSWXYPD-UHFFFAOYSA-N 1 0 377.286 3.326 20 0 GFADRO CCCC[C@@H](C[NH3+])NC(=O)C(=O)Nc1ccc(SC)c(Br)c1 ZINC000626833592 565712521 /nfs/dbraw/zinc/71/25/21/565712521.db2.gz PIASIKQNVMLVST-NSHDSACASA-N 1 0 388.331 2.743 20 0 GFADRO C[C@H]1CC[C@@H](NC(=O)C(=O)Nc2cccc(Cl)c2SCC(F)F)C[NH2+]1 ZINC000626891272 565713948 /nfs/dbraw/zinc/71/39/48/565713948.db2.gz ZJOQVRIZHBAVPD-VHSXEESVSA-N 1 0 391.871 2.892 20 0 GFADRO Cc1c(Cl)cccc1NC(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000626861313 565714536 /nfs/dbraw/zinc/71/45/36/565714536.db2.gz MJNPTHAURMPMOZ-GHMZBOCLSA-N 1 0 377.794 2.573 20 0 GFADRO [NH3+]CC1(NC(=O)NCC2(c3cccc(Br)c3)CCC2)CCOCC1 ZINC000626946421 565715944 /nfs/dbraw/zinc/71/59/44/565715944.db2.gz QFZZIZJBAWRWAJ-UHFFFAOYSA-N 1 0 396.329 2.678 20 0 GFADRO C[C@@H]1CC[C@H](NC(=O)NC[C@@H]2CCN(c3cccc(Br)c3)C2)C[NH2+]1 ZINC000626948721 565716770 /nfs/dbraw/zinc/71/67/70/565716770.db2.gz KYVKDLQDSKUDNU-YCPHGPKFSA-N 1 0 395.345 2.715 20 0 GFADRO C[C@H]1CC[C@@H](NC(=O)NCCOc2ncc(C(F)(F)F)cc2Cl)C[NH2+]1 ZINC000626985145 565717751 /nfs/dbraw/zinc/71/77/51/565717751.db2.gz PWISGRBZGKBRDW-GXSJLCMTSA-N 1 0 380.798 2.572 20 0 GFADRO C[NH2+]CCOCCN(C)C(=O)N[C@H]1c2cccc(Br)c2CC1(C)C ZINC000627043023 565720518 /nfs/dbraw/zinc/72/05/18/565720518.db2.gz MGJJSKWUTGYCCV-INIZCTEOSA-N 1 0 398.345 2.950 20 0 GFADRO CN(CCOCC[NH3+])C(=O)NCC1(c2ccc(Br)s2)CCC1 ZINC000627033494 565720849 /nfs/dbraw/zinc/72/08/49/565720849.db2.gz LCGQJQKKRKZPLD-UHFFFAOYSA-N 1 0 390.347 2.549 20 0 GFADRO O=C(NC[C@@H]1C[N@@H+]2CCN1CCC2)c1csc(-c2cccc(Cl)c2)n1 ZINC000670407826 565721230 /nfs/dbraw/zinc/72/12/30/565721230.db2.gz AJMUBAFTEYCCOY-OAHLLOKOSA-N 1 0 376.913 2.583 20 0 GFADRO C[C@@]1(CNC(=O)NCc2ccc(Br)c(F)c2F)CCC[NH2+]C1 ZINC000627082832 565721421 /nfs/dbraw/zinc/72/14/21/565721421.db2.gz AHVZPBBLWXPUHU-OAHLLOKOSA-N 1 0 376.245 2.916 20 0 GFADRO O=C(NCC/C=C/c1ccc(Br)cc1)NC[C@@H]1C[NH2+]CCCO1 ZINC000627103374 565721923 /nfs/dbraw/zinc/72/19/23/565721923.db2.gz QVBVAKPXLXJHPM-SIEGMDDESA-N 1 0 382.302 2.530 20 0 GFADRO C[C@@H](NC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1)c1cc(F)c(Br)cc1F ZINC000627125671 565722673 /nfs/dbraw/zinc/72/26/73/565722673.db2.gz MDNLNJMKNXJYMT-XBURVNOZSA-N 1 0 380.208 2.869 20 0 GFADRO C[N@@H+]1CCCC[C@H](CNC(=O)c2ccc(I)cc2F)C1 ZINC000600312400 565723831 /nfs/dbraw/zinc/72/38/31/565723831.db2.gz GSVUSUCEKRIHPI-LLVKDONJSA-N 1 0 390.240 2.892 20 0 GFADRO C[NH2+]CCOCCNC(=O)N1CCCC[C@H]1Cc1cccc(Br)c1 ZINC000627170896 565724587 /nfs/dbraw/zinc/72/45/87/565724587.db2.gz KIWMDFPMODCTNJ-KRWDZBQOSA-N 1 0 398.345 2.792 20 0 GFADRO C[NH2+]CCOCCNC(=O)N(Cc1ccccc1Br)CC(C)C ZINC000627174698 565725050 /nfs/dbraw/zinc/72/50/50/565725050.db2.gz ODWSPBUMRPTLRV-UHFFFAOYSA-N 1 0 386.334 2.853 20 0 GFADRO C[NH2+]CCOCCNC(=O)N1CCC[C@@H]1c1ccc(Br)c(F)c1 ZINC000627172978 565725058 /nfs/dbraw/zinc/72/50/58/565725058.db2.gz KRWXRZKNUDBVHL-OAHLLOKOSA-N 1 0 388.281 2.671 20 0 GFADRO COCC[NH+]1CCC(NC(=O)c2cc3c(cncc3Br)s2)CC1 ZINC000648751454 565725581 /nfs/dbraw/zinc/72/55/81/565725581.db2.gz GDFLWMQBWPWFJA-UHFFFAOYSA-N 1 0 398.326 2.899 20 0 GFADRO C[C@@H]1[C@H](C(=O)Nc2ccnn2Cc2cccc(Br)c2)CC[N@@H+]1C ZINC000648764107 565727224 /nfs/dbraw/zinc/72/72/24/565727224.db2.gz YXMIROAFCVSGGG-IUODEOHRSA-N 1 0 377.286 2.973 20 0 GFADRO [NH3+]CCCOCCNC(=O)N1CCC[C@@H]1c1cc(F)cc(Br)c1 ZINC000627216391 565727553 /nfs/dbraw/zinc/72/75/53/565727553.db2.gz RPMXRWOSQOMKSK-OAHLLOKOSA-N 1 0 388.281 2.800 20 0 GFADRO C[C@H](NC(=O)C(=O)N1CC[C@H]2CC[N@H+](C)C[C@H]21)c1ccc(Cl)cc1Cl ZINC000670530076 565727535 /nfs/dbraw/zinc/72/75/35/565727535.db2.gz ISCJBZTWPZJBBW-HWWQOWPSSA-N 1 0 384.307 2.723 20 0 GFADRO O=C(c1ccc2scc(Br)c2c1)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000627269229 565730567 /nfs/dbraw/zinc/73/05/67/565730567.db2.gz OSCHYDVWJSCIES-CHWSQXEVSA-N 1 0 395.322 2.945 20 0 GFADRO COC(=O)c1cc(C(=O)N[C@@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)on1 ZINC000600472750 565731582 /nfs/dbraw/zinc/73/15/82/565731582.db2.gz POBJEUFCYYKTGF-ZDUSSCGKSA-N 1 0 386.235 2.801 20 0 GFADRO CC(C)[N@H+](C)CCNC(=O)C(=O)Nc1cc(Cl)c(Br)cc1F ZINC000627342105 565734247 /nfs/dbraw/zinc/73/42/47/565734247.db2.gz WNUIMJBQWSOFSQ-UHFFFAOYSA-N 1 0 394.672 2.637 20 0 GFADRO C[C@@H](NC(=O)C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1)c1ccsc1 ZINC000670625613 565735234 /nfs/dbraw/zinc/73/52/34/565735234.db2.gz NYEPUKGVBGQGCT-HIFRSBDPSA-N 1 0 377.535 2.940 20 0 GFADRO C[C@@H]1[C@H](C(=O)N[C@@H]2CCCN(c3ccc(Cl)cc3Cl)C2=O)CC[N@@H+]1C ZINC000648876831 565736216 /nfs/dbraw/zinc/73/62/16/565736216.db2.gz LZFYTFOTEZBCIS-UXIGCNINSA-N 1 0 384.307 2.945 20 0 GFADRO C[C@@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000627444740 565736297 /nfs/dbraw/zinc/73/62/97/565736297.db2.gz VANNIRPZWSXXER-XHDPSFHLSA-N 1 0 384.307 2.914 20 0 GFADRO Cn1ccnc1[C@H]1C[C@@H]([NH2+]Cc2cn3ccc(Br)cc3n2)CCO1 ZINC000648870634 565736735 /nfs/dbraw/zinc/73/67/35/565736735.db2.gz VDCYDQQKSKYRDT-DZGCQCFKSA-N 1 0 390.285 2.840 20 0 GFADRO COc1cc(C(=O)N[C@H](C)C2CC[NH+](C)CC2)cc(Br)c1OC ZINC000670788036 565737784 /nfs/dbraw/zinc/73/77/84/565737784.db2.gz UGANTYWXQDRLOQ-LLVKDONJSA-N 1 0 385.302 2.926 20 0 GFADRO C[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3[C@@H]4c5cccc(Br)c5C[C@H]34)C2)C1 ZINC000627505564 565738265 /nfs/dbraw/zinc/73/82/65/565738265.db2.gz UJEAYLGIQNFNIG-WFEDQXDTSA-N 1 0 375.310 2.889 20 0 GFADRO C[N@@H+]1C[C@H]2CCN(C(=O)c3cc(Br)ccc3OC(F)F)[C@@H]2C1 ZINC000648911465 565738342 /nfs/dbraw/zinc/73/83/42/565738342.db2.gz NBVVHBMSTKTBIL-BXKDBHETSA-N 1 0 375.213 2.827 20 0 GFADRO CN(C)CC[N@H+](C)CCCNC(=O)c1cc2c(cncc2Br)s1 ZINC000648905826 565738669 /nfs/dbraw/zinc/73/86/69/565738669.db2.gz RFTXXQYXJRWCCO-UHFFFAOYSA-N 1 0 399.358 2.672 20 0 GFADRO O=C(N[C@H]1CCC[N@@H+](CCCO)C1)c1cc2c(cncc2Br)s1 ZINC000648918321 565739749 /nfs/dbraw/zinc/73/97/49/565739749.db2.gz SAJVJAKKOVNEIJ-NSHDSACASA-N 1 0 398.326 2.635 20 0 GFADRO Cc1ccc(Br)cc1CC(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000648936755 565740973 /nfs/dbraw/zinc/74/09/73/565740973.db2.gz JDKNODUAOPRLJV-SFHVURJKSA-N 1 0 394.357 2.538 20 0 GFADRO CCCN(C(=O)c1cnc2ccc(Br)cc2c1O)[C@H]1CC[N@H+](C)C1 ZINC000648998906 565743940 /nfs/dbraw/zinc/74/39/40/565743940.db2.gz UYMOMWMVHBSTJU-ZDUSSCGKSA-N 1 0 392.297 2.847 20 0 GFADRO CCCN(C(=O)CSc1nnc(-c2cccs2)n1C)[C@H]1CC[N@H+](C)C1 ZINC000649001072 565744234 /nfs/dbraw/zinc/74/42/34/565744234.db2.gz ITIGAEBFFFSQSF-ZDUSSCGKSA-N 1 0 379.555 2.578 20 0 GFADRO COC(=O)[C@H]1C[NH2+]CCCN1Cc1coc(-c2cc(Cl)cc(Cl)c2)n1 ZINC000600710968 565745355 /nfs/dbraw/zinc/74/53/55/565745355.db2.gz RBMXAISBWKVODX-OAHLLOKOSA-N 1 0 384.263 2.985 20 0 GFADRO CC[NH+](CC)[C@H](CNC(=O)C(=O)N1CCSCC[C@@H]1C)c1ccsc1 ZINC000670969520 565748818 /nfs/dbraw/zinc/74/88/18/565748818.db2.gz DQQKNMVESNTKFD-GOEBONIOSA-N 1 0 383.583 2.601 20 0 GFADRO O=S(=O)(N[C@@H]1CC[N@H+](CC2CC2)C1)c1cccc(Br)c1Cl ZINC000671171886 565754895 /nfs/dbraw/zinc/75/48/95/565754895.db2.gz AAWWOOJIFUEVTH-LLVKDONJSA-N 1 0 393.734 2.865 20 0 GFADRO Cc1cc(Br)cc(NC(=O)C(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)c1 ZINC000627906824 565761666 /nfs/dbraw/zinc/76/16/66/565761666.db2.gz HMZIYJWONSNNNI-INIZCTEOSA-N 1 0 394.313 2.829 20 0 GFADRO CC[N@H+](CC(=O)N(C)Cc1cc(Br)cs1)[C@H]1CCCOC1 ZINC000649757310 565777269 /nfs/dbraw/zinc/77/72/69/565777269.db2.gz KTVFUHOKIGUPCR-ZDUSSCGKSA-N 1 0 375.332 2.970 20 0 GFADRO Cc1[nH]c(=O)c(Br)cc1C(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000671693782 565779950 /nfs/dbraw/zinc/77/99/50/565779950.db2.gz VPLRUBIRISOMQF-ZDUSSCGKSA-N 1 0 382.302 2.949 20 0 GFADRO CN(CCC[NH2+][C@@H](c1cccc(OC(F)(F)F)c1)C1CC1)S(C)(=O)=O ZINC000671740927 565784344 /nfs/dbraw/zinc/78/43/44/565784344.db2.gz BHWBEKDMPUYZTO-OAHLLOKOSA-N 1 0 380.432 2.907 20 0 GFADRO CS(=O)(=O)N1CCCC[C@H]1C[NH2+][C@@H]1CCc2cc(Br)ccc21 ZINC000671769508 565785029 /nfs/dbraw/zinc/78/50/29/565785029.db2.gz FNZVBGBKYWZMDS-GOEBONIOSA-N 1 0 387.343 2.840 20 0 GFADRO C[C@@H](C[NH2+]C[C@@H](n1cccn1)C(F)(F)F)c1ccc(S(C)(=O)=O)cc1 ZINC000628381152 565786764 /nfs/dbraw/zinc/78/67/64/565786764.db2.gz SNVLVOURPMYCIB-SWLSCSKDSA-N 1 0 375.416 2.783 20 0 GFADRO CCC1([NH+](C)C)CCN(S(=O)(=O)c2cc(Cl)cc(C(=O)OC)c2)CC1 ZINC000601503667 565788169 /nfs/dbraw/zinc/78/81/69/565788169.db2.gz LRPSELXMPQEDKN-UHFFFAOYSA-N 1 0 388.917 2.622 20 0 GFADRO O=C(Nc1cc(I)ccc1Cl)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000601559184 565792370 /nfs/dbraw/zinc/79/23/70/565792370.db2.gz HJJAUSZRCHQIDC-IUCAKERBSA-N 1 0 377.613 2.523 20 0 GFADRO C[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCOc4ccc(Br)cc43)C2)C1 ZINC000650051715 565794378 /nfs/dbraw/zinc/79/43/78/565794378.db2.gz IBBOZOVTNWWYED-KDOFPFPSSA-N 1 0 379.298 2.869 20 0 GFADRO CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@]1(CO)CCc2cc(Br)ccc2C1 ZINC000628682670 565802656 /nfs/dbraw/zinc/80/26/56/565802656.db2.gz PPDSEMIOEFUEGF-BFUOFWGJSA-N 1 0 397.357 2.952 20 0 GFADRO C[N@@H+]1CCCC[C@H](CNC(=O)Cc2noc3ccc(Br)cc32)C1 ZINC000628752822 565806121 /nfs/dbraw/zinc/80/61/21/565806121.db2.gz ZOFOTAPKDWNGKQ-GFCCVEGCSA-N 1 0 380.286 2.981 20 0 GFADRO CC[C@H](C[NH+]1CCCC1)NS(=O)(=O)c1c(F)cccc1OC(F)(F)F ZINC000672389403 565806590 /nfs/dbraw/zinc/80/65/90/565806590.db2.gz CGRDFWHBVMBMSB-LLVKDONJSA-N 1 0 384.395 2.877 20 0 GFADRO C[NH+]1CCC(N(C(=O)Cn2cc(Br)cn2)c2ccccc2)CC1 ZINC000601965885 565811113 /nfs/dbraw/zinc/81/11/13/565811113.db2.gz FCPBRPVTRHWGIP-UHFFFAOYSA-N 1 0 377.286 2.773 20 0 GFADRO O=C1CC[C@H]([NH2+]Cc2ccc(I)cc2Cl)CCN1 ZINC000602015372 565815904 /nfs/dbraw/zinc/81/59/04/565815904.db2.gz BWIYRYLADVMCDQ-NSHDSACASA-N 1 0 378.641 2.703 20 0 GFADRO CC(C)[NH+]1CCC(C(=O)Nc2ncc(F)cc2I)CC1 ZINC000602283413 565836199 /nfs/dbraw/zinc/83/61/99/565836199.db2.gz NHPRULHJXCGDSL-UHFFFAOYSA-N 1 0 391.228 2.884 20 0 GFADRO COCC[N@@H+]1CCN(C(=O)Cc2ccc(Br)s2)C(C)(C)C1 ZINC000650831410 565836745 /nfs/dbraw/zinc/83/67/45/565836745.db2.gz CAOSCAZXMMQYRJ-UHFFFAOYSA-N 1 0 375.332 2.622 20 0 GFADRO CCN(CC)C(=O)C[NH+]1CCC(NC(=O)[C@H](C)c2ccc(Cl)s2)CC1 ZINC000673489495 565837493 /nfs/dbraw/zinc/83/74/93/565837493.db2.gz ISWALUCRZSUAQB-CYBMUJFWSA-N 1 0 385.961 2.954 20 0 GFADRO O=C(CCc1cc(Cl)ccc1Br)N[C@H](CO)C[NH+]1CCCC1 ZINC000673533337 565839156 /nfs/dbraw/zinc/83/91/56/565839156.db2.gz ZMVAKXMWXODAOH-AWEZNQCLSA-N 1 0 389.721 2.608 20 0 GFADRO C[NH+]1CCN(CCCNC(=O)c2cnc(-c3cccc(Cl)c3)s2)CC1 ZINC000651023331 565842428 /nfs/dbraw/zinc/84/24/28/565842428.db2.gz MLJJZMUURUDFPB-UHFFFAOYSA-N 1 0 378.929 2.831 20 0 GFADRO CC(C)c1nc(S(=O)(=O)N(CC[NH+](C)C)Cc2cccc(Cl)c2)c[nH]1 ZINC000673820718 565847619 /nfs/dbraw/zinc/84/76/19/565847619.db2.gz RVHVHKYGZSQOGX-UHFFFAOYSA-N 1 0 384.933 2.939 20 0 GFADRO C[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)C1([S@](C)=O)CC[NH2+]CC1 ZINC000602447871 565848603 /nfs/dbraw/zinc/84/86/03/565848603.db2.gz BUKVDXPCYHWNJE-BGJPBQGDSA-N 1 0 377.337 2.541 20 0 GFADRO CCC1([NH+]2CCOCC2)CCN(C(=O)c2cc(O)cc(Br)c2)CC1 ZINC000629415086 565850265 /nfs/dbraw/zinc/85/02/65/565850265.db2.gz ZQSXPRVMBLUVJS-UHFFFAOYSA-N 1 0 397.313 2.872 20 0 GFADRO C[S@](=O)C1(C(=O)N(CCc2ccc(Cl)cc2)CC2CC2)CC[NH2+]CC1 ZINC000602459178 565850318 /nfs/dbraw/zinc/85/03/18/565850318.db2.gz QKDDYEAFZAGTHA-VWLOTQADSA-N 1 0 382.957 2.622 20 0 GFADRO Cc1cc(C(=O)N[C@H]2CC[NH2+]C[C@@H]2C)c(I)cc1Cl ZINC000602490672 565851134 /nfs/dbraw/zinc/85/11/34/565851134.db2.gz CVHMPVQNENEUMI-ZANVPECISA-N 1 0 392.668 2.981 20 0 GFADRO C[NH+](C)[C@@]1(CNC(=O)Nc2nnc(Cc3ccccc3)s2)CCSC1 ZINC000673981961 565854825 /nfs/dbraw/zinc/85/48/25/565854825.db2.gz BTYICGFRLQUVCP-QGZVFWFLSA-N 1 0 377.539 2.688 20 0 GFADRO CN1CCC[N@H+](CCCNc2ncnc3cc(Br)sc32)CC1 ZINC000651302282 565855590 /nfs/dbraw/zinc/85/55/90/565855590.db2.gz MZLUGSISGNBIKK-UHFFFAOYSA-N 1 0 384.347 2.893 20 0 GFADRO C[N@@H+]1CCC[C@@H](N2CCN(c3ncnc4cc(Br)sc43)CC2)C1 ZINC000651317018 565856834 /nfs/dbraw/zinc/85/68/34/565856834.db2.gz BGDVLYMMAJTACC-GFCCVEGCSA-N 1 0 396.358 2.670 20 0 GFADRO [NH3+]C[C@H]1CN(CC(=O)Nc2ccc(Br)cc2)CC[C@H]1C(F)(F)F ZINC000629564495 565859347 /nfs/dbraw/zinc/85/93/47/565859347.db2.gz LNQPPJKNOHAMST-GXFFZTMASA-N 1 0 394.235 2.847 20 0 GFADRO C[NH2+]CCOCCN(C)CC(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000629570865 565859522 /nfs/dbraw/zinc/85/95/22/565859522.db2.gz GKNNOFZQACXSDF-KRWDZBQOSA-N 1 0 388.339 2.825 20 0 GFADRO CSc1ccc(OC[C@H](O)C[NH2+]C[C@@H](n2cccn2)C(F)(F)F)cc1 ZINC000629596145 565861956 /nfs/dbraw/zinc/86/19/56/565861956.db2.gz DLZYMWZXHNYGKW-IUODEOHRSA-N 1 0 375.416 2.738 20 0 GFADRO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)c1cc(=O)[nH]c2c(Br)cccc12 ZINC000674241650 565865537 /nfs/dbraw/zinc/86/55/37/565865537.db2.gz KLNBBPORBPBIHF-GFCCVEGCSA-N 1 0 390.281 2.917 20 0 GFADRO COC1CC[NH+](CCNS(=O)(=O)Cc2c(Cl)cccc2Cl)CC1 ZINC000674332857 565868760 /nfs/dbraw/zinc/86/87/60/565868760.db2.gz MONXWWIHUHCLJD-UHFFFAOYSA-N 1 0 381.325 2.524 20 0 GFADRO CCc1ccc(-c2csc(NC(=O)C(=O)N[C@H]3CCC[N@H+](C)C3)n2)s1 ZINC000651531376 565869453 /nfs/dbraw/zinc/86/94/53/565869453.db2.gz GZFYFQSNYMYGSM-NSHDSACASA-N 1 0 378.523 2.583 20 0 GFADRO CC[C@H](C[NH+]1CCCC1)NS(=O)(=O)c1ccc(OCC(F)(F)F)cc1 ZINC000674346175 565870662 /nfs/dbraw/zinc/87/06/62/565870662.db2.gz IZTCFYKYTNTIED-CYBMUJFWSA-N 1 0 380.432 2.780 20 0 GFADRO COC(=O)c1ccc(CN2CC[C@@H](Oc3cncc(Br)c3)C2)o1 ZINC000602880105 565873582 /nfs/dbraw/zinc/87/35/82/565873582.db2.gz DNJFDZFYPQTXIF-CYBMUJFWSA-N 1 0 381.226 2.877 20 0 GFADRO O=S(=O)(NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1ccc(Cl)c(F)c1 ZINC000651605893 565879210 /nfs/dbraw/zinc/87/92/10/565879210.db2.gz YOOUIGKJOKPGID-DLBZAZTESA-N 1 0 390.908 2.525 20 0 GFADRO Cc1c(Br)cncc1C(=O)N1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000630094066 565880435 /nfs/dbraw/zinc/88/04/35/565880435.db2.gz ZBWGMMSKCDSZAS-KOLCDFICSA-N 1 0 380.208 2.752 20 0 GFADRO C[C@@H](NC(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1)C(C)(C)C[NH+](C)C ZINC000674715238 565881290 /nfs/dbraw/zinc/88/12/90/565881290.db2.gz FPGKFSXBSUNAJZ-CYBMUJFWSA-N 1 0 386.945 2.739 20 0 GFADRO [NH3+]CCSCc1cn(CC(=O)Nc2ccc(Cl)cc2C(F)(F)F)nn1 ZINC000603159902 565887339 /nfs/dbraw/zinc/88/73/39/565887339.db2.gz CHXKNRQSHILREC-UHFFFAOYSA-N 1 0 393.822 2.781 20 0 GFADRO Cc1cc(Br)sc1S(=O)(=O)N1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000651717452 565887340 /nfs/dbraw/zinc/88/73/40/565887340.db2.gz FYGKGJQNJLYCTF-AWEZNQCLSA-N 1 0 393.372 2.925 20 0 GFADRO C[N@@H+]1CCC[C@@H](NC(=O)[C@H](c2ccc(Br)cc2)N2CCCC2)C1 ZINC000675137749 565891813 /nfs/dbraw/zinc/89/18/13/565891813.db2.gz HYKPDMMQNXVRTM-SJORKVTESA-N 1 0 380.330 2.796 20 0 GFADRO COC(=O)c1scc(C)c1S(=O)(=O)N1CCCC[C@@H]1[C@@H](C)C[NH+](C)C ZINC000603391867 565902867 /nfs/dbraw/zinc/90/28/67/565902867.db2.gz UWTXZHCYSPTDKU-GXTWGEPZSA-N 1 0 388.555 2.584 20 0 GFADRO Cc1c(Br)cc(C[NH2+][C@H]2C[C@@H](C(N)=O)C2)cc1Br ZINC000651938830 565904980 /nfs/dbraw/zinc/90/49/80/565904980.db2.gz KHOCUIALAQTSBJ-AOOOYVTPSA-N 1 0 376.092 2.874 20 0 GFADRO COc1ccc(S(=O)(=O)N(C)CC[NH+]2CCCCC2)c(Br)c1 ZINC000651926232 565905269 /nfs/dbraw/zinc/90/52/69/565905269.db2.gz KNRUWIKZTJRWKK-UHFFFAOYSA-N 1 0 391.331 2.564 20 0 GFADRO COc1c(Br)cc(Br)cc1C[NH2+][C@H]1C[C@@H](C(N)=O)C1 ZINC000651940839 565906663 /nfs/dbraw/zinc/90/66/63/565906663.db2.gz BGQSEYFXYUAVAP-WKFQBHICSA-N 1 0 392.091 2.574 20 0 GFADRO C[NH+]1CCC(N2CC[C@@H](NC(=O)c3nc4cc(Cl)ccc4s3)C2)CC1 ZINC000652008070 565910443 /nfs/dbraw/zinc/91/04/43/565910443.db2.gz KHMDOUOLIGYXBA-CYBMUJFWSA-N 1 0 378.929 2.848 20 0 GFADRO C[NH+]1CCC(N2CC[C@H](NC(=O)c3nc4cc(Cl)ccc4s3)C2)CC1 ZINC000652008073 565910907 /nfs/dbraw/zinc/91/09/07/565910907.db2.gz KHMDOUOLIGYXBA-ZDUSSCGKSA-N 1 0 378.929 2.848 20 0 GFADRO CCN1C[C@H](C[NH2+][C@H](C)CC(=O)Nc2ccc(Br)cc2)CC1=O ZINC000652015883 565911558 /nfs/dbraw/zinc/91/15/58/565911558.db2.gz OAFFBXTZQXZAMT-OLZOCXBDSA-N 1 0 382.302 2.624 20 0 GFADRO [NH3+]C[C@]12CCC[C@H]1CN(C(=O)NCCc1ccc(F)c(Br)c1)C2 ZINC000652135697 565916578 /nfs/dbraw/zinc/91/65/78/565916578.db2.gz YYSWKKYXAJPMCJ-GUYCJALGSA-N 1 0 384.293 2.901 20 0 GFADRO [NH3+]C[C@]12CCC[C@H]1CN(C(=O)NCCOc1ccc(Br)cc1)C2 ZINC000652141066 565916717 /nfs/dbraw/zinc/91/67/17/565916717.db2.gz DXXLBFOTMBDQTE-GUYCJALGSA-N 1 0 382.302 2.598 20 0 GFADRO O=C(NCc1ccc(Br)s1)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000603817185 565917011 /nfs/dbraw/zinc/91/70/11/565917011.db2.gz XINOVPMRWJIWJV-KRWDZBQOSA-N 1 0 395.322 2.764 20 0 GFADRO COCC[NH2+]C1CCN(C(=O)NCCCc2cccc(Br)c2)CC1 ZINC000652149330 565917646 /nfs/dbraw/zinc/91/76/46/565917646.db2.gz ZZLWSRPQKQZWDC-UHFFFAOYSA-N 1 0 398.345 2.792 20 0 GFADRO CCO[C@@H]1CN(C(=O)N[C@@H](CC)c2nc(C(F)(F)F)cs2)C[C@H]1C[NH3+] ZINC000652162033 565918821 /nfs/dbraw/zinc/91/88/21/565918821.db2.gz CUPUTWYQNRBJBW-OUAUKWLOSA-N 1 0 380.436 2.618 20 0 GFADRO [NH3+]C[C@]12CCC[C@H]1CN(C(=O)N[C@H]1COc3cc(F)c(Br)cc31)C2 ZINC000652189737 565918904 /nfs/dbraw/zinc/91/89/04/565918904.db2.gz RVJAKDYYOOCEAH-NCHVAJSOSA-N 1 0 398.276 2.792 20 0 GFADRO C[C@@H]([NH2+]CCCN1C(=O)NC(C)(C)C1=O)c1ccc(F)c(Br)c1 ZINC000675884289 565920090 /nfs/dbraw/zinc/92/00/90/565920090.db2.gz QUZJBRQSEZYPBN-SNVBAGLBSA-N 1 0 386.265 2.959 20 0 GFADRO COCC[NH+]1CCC(NC(=O)[C@H]2C[C@@]2(C)c2cccc(Br)c2)CC1 ZINC000630832216 565921347 /nfs/dbraw/zinc/92/13/47/565921347.db2.gz DBCAGZCXCSGVDC-MJGOQNOKSA-N 1 0 395.341 2.954 20 0 GFADRO COCC[NH+]1CCC(NC(=O)[C@H]2C[C@]2(C)c2cccc(Br)c2)CC1 ZINC000630832211 565921377 /nfs/dbraw/zinc/92/13/77/565921377.db2.gz DBCAGZCXCSGVDC-IEBWSBKVSA-N 1 0 395.341 2.954 20 0 GFADRO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCN(CC(=O)Nc3ccccc3Br)C2)C1 ZINC000652345437 565922753 /nfs/dbraw/zinc/92/27/53/565922753.db2.gz BWJPNCUELRBTER-CKEIUWERSA-N 1 0 396.329 2.606 20 0 GFADRO CCO[C@@H]1CN([C@@H](C)C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)C[C@H]1C[NH3+] ZINC000652358247 565924139 /nfs/dbraw/zinc/92/41/39/565924139.db2.gz NSGPHBSQCMIQCU-IPJQOSJUSA-N 1 0 388.339 2.855 20 0 GFADRO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCCN2CC(=O)Nc2ccccc2Br)C1 ZINC000652360659 565924254 /nfs/dbraw/zinc/92/42/54/565924254.db2.gz NREDONOLAFENDH-KBRIMQKVSA-N 1 0 396.329 2.748 20 0 GFADRO Cc1cc(Br)sc1S(=O)(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000652366858 565924957 /nfs/dbraw/zinc/92/49/57/565924957.db2.gz VIDDYCMLGAAYNU-NEPJUHHUSA-N 1 0 393.372 2.972 20 0 GFADRO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCN(S(=O)(=O)c3cc(Cl)cc(Cl)c3)C2)C1 ZINC000652374999 565925814 /nfs/dbraw/zinc/92/58/14/565925814.db2.gz GVCAKMITZKGLHP-SGIREYDYSA-N 1 0 393.336 2.900 20 0 GFADRO COc1ccc(Br)c(S(=O)(=O)N2CCC[C@H](C)[C@@H]2CC[NH3+])c1 ZINC000652377368 565926420 /nfs/dbraw/zinc/92/64/20/565926420.db2.gz FTHYSHZWKUFRCI-FZMZJTMJSA-N 1 0 391.331 2.596 20 0 GFADRO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCCN2S(=O)(=O)c2csc3ccccc32)C1 ZINC000652383409 565927758 /nfs/dbraw/zinc/92/77/58/565927758.db2.gz QIGPYTQOJNYFFY-VNQPRFMTSA-N 1 0 380.535 2.951 20 0 GFADRO CN(CC[NH+]1CCCCC1)C(=O)C(=O)N(C)Cc1c(Cl)cccc1Cl ZINC000652404361 565928733 /nfs/dbraw/zinc/92/87/33/565928733.db2.gz MGPUCNOBDYEJBF-UHFFFAOYSA-N 1 0 386.323 2.896 20 0 GFADRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)NCc3ccc(Cl)cc3Cl)CC2)C1 ZINC000604631511 565933986 /nfs/dbraw/zinc/93/39/86/565933986.db2.gz LLKXEFBDHMEFMN-MRXNPFEDSA-N 1 0 385.339 2.915 20 0 GFADRO O=C1NC2(CCCCC2)C(=O)N1CCC[NH2+]Cc1ccncc1Br ZINC000631038540 565934482 /nfs/dbraw/zinc/93/44/82/565934482.db2.gz BBONRIWRKNOBJH-UHFFFAOYSA-N 1 0 395.301 2.579 20 0 GFADRO CC[NH+]1CCN([C@@H](C)CNCc2ncc(Br)cc2Cl)CC1 ZINC000631042983 565934786 /nfs/dbraw/zinc/93/47/86/565934786.db2.gz YUXLCRXDNVYFBJ-LBPRGKRZSA-N 1 0 375.742 2.613 20 0 GFADRO [NH3+]CC1(CCNC(=O)C(=O)Nc2ccc(-c3ccc(Cl)s3)nc2)CC1 ZINC000652634174 565935757 /nfs/dbraw/zinc/93/57/57/565935757.db2.gz SUOMTVHOJSSTOW-UHFFFAOYSA-N 1 0 378.885 2.647 20 0 GFADRO Cc1ncc(Br)cc1NC(=O)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652608596 565936264 /nfs/dbraw/zinc/93/62/64/565936264.db2.gz XLPSZSJJPNUUCE-NOLJZWGESA-N 1 0 397.317 2.903 20 0 GFADRO C[NH+](C)C1(CNc2cccc(OC(F)(F)F)c2S(N)(=O)=O)CCCC1 ZINC000631059929 565936869 /nfs/dbraw/zinc/93/68/69/565936869.db2.gz YSIZUFOHBFHGAC-UHFFFAOYSA-N 1 0 381.420 2.519 20 0 GFADRO C[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)NCCC1CC[NH2+]CC1 ZINC000652680424 565937475 /nfs/dbraw/zinc/93/74/75/565937475.db2.gz DIQHKVTYGLGOIB-GFCCVEGCSA-N 1 0 386.323 2.547 20 0 GFADRO O[C@H](COc1ccc(Br)cc1)C[N@@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000676477241 565939759 /nfs/dbraw/zinc/93/97/59/565939759.db2.gz FYBLGRPTEYNIFP-CVEARBPZSA-N 1 0 380.286 2.722 20 0 GFADRO C[N@@H+]1CCCN(CCCNC(=O)c2cc(Cl)cc(Br)c2)CC1 ZINC000676606066 565943609 /nfs/dbraw/zinc/94/36/09/565943609.db2.gz HXBMADDXMDTJQG-UHFFFAOYSA-N 1 0 388.737 2.860 20 0 GFADRO CNC(=O)[C@H](C[NH2+]Cc1ccncc1Br)Cc1ccc(F)cc1C ZINC000631164920 565945489 /nfs/dbraw/zinc/94/54/89/565945489.db2.gz DUAYRMJCGQKCAY-HNNXBMFYSA-N 1 0 394.288 2.986 20 0 GFADRO NS(=O)(=O)c1cc(C[NH2+]C[C@@H]2C[C@H](c3ccccc3)CO2)ccc1Cl ZINC000631175061 565947070 /nfs/dbraw/zinc/94/70/70/565947070.db2.gz ROSSHNGBZJOKRQ-HOTGVXAUSA-N 1 0 380.897 2.650 20 0 GFADRO CCCOc1c(Br)cc(C[NH2+][C@](C)(CO)COC)cc1OC ZINC000631203551 565948504 /nfs/dbraw/zinc/94/85/04/565948504.db2.gz CTQZEQXRDDKEGC-MRXNPFEDSA-N 1 0 376.291 2.734 20 0 GFADRO CN(CC[NH+]1CCCCC1)C(=O)c1cc(Br)c2c(c1)OCCO2 ZINC000652988605 565950542 /nfs/dbraw/zinc/95/05/42/565950542.db2.gz BBOZGQVDJCWHRF-UHFFFAOYSA-N 1 0 383.286 2.778 20 0 GFADRO CC[C@H](C[NH+]1CCCC1)NC(=O)c1cc(Br)c2c(c1)OCCO2 ZINC000605373589 565950665 /nfs/dbraw/zinc/95/06/65/565950665.db2.gz WTZBIJVTHVRSNN-CYBMUJFWSA-N 1 0 383.286 2.825 20 0 GFADRO O=C(C1CC1)N1CCC([NH2+]Cc2cnc3ccc(Br)cn23)CC1 ZINC000605434977 565951530 /nfs/dbraw/zinc/95/15/30/565951530.db2.gz JWXYSOLKLRMKDT-UHFFFAOYSA-N 1 0 377.286 2.587 20 0 GFADRO Cc1c(Br)csc1C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000631312783 565953733 /nfs/dbraw/zinc/95/37/33/565953733.db2.gz HDAWAYWQRJQMOZ-CYBMUJFWSA-N 1 0 386.359 2.671 20 0 GFADRO COc1ccc(Br)cc1C(=O)N1CC[C@@H](OCC[NH+]2CCCC2)C1 ZINC000676905012 565954737 /nfs/dbraw/zinc/95/47/37/565954737.db2.gz FMZKUOQUBPVCKZ-OAHLLOKOSA-N 1 0 397.313 2.785 20 0 GFADRO C[NH+](C)CC[C@@H](N)C(=O)NCC1(c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000653160390 565956067 /nfs/dbraw/zinc/95/60/67/565956067.db2.gz HGTQJZOLENUMBC-CQSZACIVSA-N 1 0 377.838 2.786 20 0 GFADRO COC[C@]1(CNC(=O)c2ccc(Br)c(OC(C)C)c2)CCC[NH2+]1 ZINC000653139818 565956419 /nfs/dbraw/zinc/95/64/19/565956419.db2.gz ZANCBAFOEJYQAB-QGZVFWFLSA-N 1 0 385.302 2.735 20 0 GFADRO C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000653196519 565958289 /nfs/dbraw/zinc/95/82/89/565958289.db2.gz PXZMMCYSAVVGOO-SOZUMNATSA-N 1 0 384.307 2.699 20 0 GFADRO Cn1nc2cc(Br)ccc2c1C(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000653193380 565958589 /nfs/dbraw/zinc/95/85/89/565958589.db2.gz PWMJXNSCQUWMSF-GTNSWQLSSA-N 1 0 377.286 2.537 20 0 GFADRO O=C(c1ccc2cncc(Br)c2n1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000631456268 565958711 /nfs/dbraw/zinc/95/87/11/565958711.db2.gz XXZLKVVWJVLAEB-ZDUSSCGKSA-N 1 0 389.297 2.950 20 0 GFADRO O=C([C@H]1C[NH2+]CCC1(F)F)N1CCN(c2cc(Cl)ccc2Cl)CC1 ZINC000653199063 565959237 /nfs/dbraw/zinc/95/92/37/565959237.db2.gz YHUHHQJSRDEUME-GFCCVEGCSA-N 1 0 378.250 2.887 20 0 GFADRO C[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2cccc(Cl)c2SCC(F)F)C1 ZINC000606042695 565960066 /nfs/dbraw/zinc/96/00/66/565960066.db2.gz GWPSZACILZCZLA-JTQLQIEISA-N 1 0 391.871 2.846 20 0 GFADRO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCCN2C(=O)COc2cccc(Br)c2)C1 ZINC000653267189 565960208 /nfs/dbraw/zinc/96/02/08/565960208.db2.gz MBRVXYJXYANKJX-DJIMGWMZSA-N 1 0 397.313 2.715 20 0 GFADRO CCO[C@@H]1CN(C(=O)[C@H](C)Sc2ccc(Br)cc2)C[C@H]1C[NH3+] ZINC000653245072 565960659 /nfs/dbraw/zinc/96/06/59/565960659.db2.gz KPQXVJORMAIXAR-YWPYICTPSA-N 1 0 387.343 2.752 20 0 GFADRO Cc1c(Br)c[nH]c(=O)c1C(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000631522240 565961099 /nfs/dbraw/zinc/96/10/99/565961099.db2.gz ZXANKXQFHIJKDN-ZDUSSCGKSA-N 1 0 382.302 2.806 20 0 GFADRO CCN(CC)S(=O)(=O)c1ccc(C[NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCC3)s1 ZINC000631577197 565962650 /nfs/dbraw/zinc/96/26/50/565962650.db2.gz OJNCJAFZHDJBFP-XIRDDKMYSA-N 1 0 384.567 2.826 20 0 GFADRO C[N@H+](CCNC(=O)c1c(F)cncc1Br)Cc1ccc(F)cc1 ZINC000631625037 565963682 /nfs/dbraw/zinc/96/36/82/565963682.db2.gz UMYVJLSDRWCZGL-UHFFFAOYSA-N 1 0 384.224 2.984 20 0 GFADRO CCC[C@H](CCO)[NH2+][C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000631669788 565966470 /nfs/dbraw/zinc/96/64/70/565966470.db2.gz RSPIFWRYUNIJAZ-TZMCWYRMSA-N 1 0 376.316 2.808 20 0 GFADRO C[C@H]1CCCC[N@@H+]1CCCNS(=O)(=O)Cc1ncsc1Br ZINC000631676934 565967543 /nfs/dbraw/zinc/96/75/43/565967543.db2.gz KGEPWEZNGZJHFL-NSHDSACASA-N 1 0 396.376 2.590 20 0 GFADRO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]Cc1cccc2c1CCOC2 ZINC000631732443 565971096 /nfs/dbraw/zinc/97/10/96/565971096.db2.gz JBSCUOBINXHLCW-ZDUSSCGKSA-N 1 0 377.282 2.862 20 0 GFADRO CN(CCCC[NH+](C)C)C(=O)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000607034500 565976771 /nfs/dbraw/zinc/97/67/71/565976771.db2.gz BFUCLEVIIOFRFV-CQSZACIVSA-N 1 0 396.329 2.602 20 0 GFADRO O=C(CCc1cc(Br)ccc1F)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000677541628 565977445 /nfs/dbraw/zinc/97/74/45/565977445.db2.gz RUEGLGRBGZRWNF-SJORKVTESA-N 1 0 399.304 2.578 20 0 GFADRO C[NH2+][C@@H]1CCN(S(=O)(=O)c2csnc2-c2cccc(C(F)(F)F)c2)C1 ZINC000631901118 565982480 /nfs/dbraw/zinc/98/24/80/565982480.db2.gz RMVXCYXUZLZAOY-GFCCVEGCSA-N 1 0 391.440 2.811 20 0 GFADRO O=S(=O)(c1cscc1Br)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000631940062 565984467 /nfs/dbraw/zinc/98/44/67/565984467.db2.gz OHRXRLZBALKJLD-NWDGAFQWSA-N 1 0 393.372 2.911 20 0 GFADRO O=C1C[C@H]([C@H]2CCCC[N@H+]2C[C@@H](O)COc2ccc(Cl)c(Cl)c2)CN1 ZINC000677903867 565987186 /nfs/dbraw/zinc/98/71/86/565987186.db2.gz ZUURNUBWBOLYAF-OGHNNQOOSA-N 1 0 387.307 2.724 20 0 GFADRO [NH3+]C[C@H]1CC[C@H](NS(=O)(=O)c2cccc(Cl)c2Br)CC1 ZINC000631976525 565987736 /nfs/dbraw/zinc/98/77/36/565987736.db2.gz ZILWSQFFGZDMNW-MGCOHNPYSA-N 1 0 381.723 2.898 20 0 GFADRO Cc1ccc(Br)cc1C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000607906632 565992812 /nfs/dbraw/zinc/99/28/12/565992812.db2.gz MJPTZGVULUZJCS-HNNXBMFYSA-N 1 0 380.330 2.656 20 0 GFADRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)c2cnn(-c3cccc(Br)c3)c2)C1 ZINC000654067513 565995017 /nfs/dbraw/zinc/99/50/17/565995017.db2.gz PIGBTWDHHOSZOF-DRQUAOQDSA-N 1 0 377.286 2.705 20 0 GFADRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)c2cn(Cc3ccc(Cl)cc3Cl)nn2)C1 ZINC000654063631 565995298 /nfs/dbraw/zinc/99/52/98/565995298.db2.gz WLTVQFDNOYWESG-VDISTLRHSA-N 1 0 382.295 2.703 20 0 GFADRO CC[NH+]1CCN(CC(=O)Nc2ccc(Sc3nncs3)c(Cl)c2)CC1 ZINC000608012691 565996987 /nfs/dbraw/zinc/99/69/87/565996987.db2.gz DLUTVBZYOJTMTE-UHFFFAOYSA-N 1 0 397.957 2.919 20 0 GFADRO CC(C)[N@H+]1C[C@H](NS(=O)(=O)Cc2ccc(OC(F)(F)F)cc2)[C@@H](C)C1 ZINC000608045876 565999995 /nfs/dbraw/zinc/99/99/95/565999995.db2.gz FDWFLCUXYAMSEX-WFASDCNBSA-N 1 0 380.432 2.733 20 0 GFADRO Brc1cccc(C2([NH2+]C[C@@H]3CNc4ccnn4C3)CCOCC2)c1 ZINC000608056497 566000629 /nfs/dbraw/zinc/00/06/29/566000629.db2.gz MPKUZJVOASDBKE-AWEZNQCLSA-N 1 0 391.313 2.983 20 0 GFADRO CC[NH+](CC)[C@H]1CCN(S(=O)(=O)Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000608049370 566001238 /nfs/dbraw/zinc/00/12/38/566001238.db2.gz AMCZLBCOEFVCDK-AWEZNQCLSA-N 1 0 380.432 2.831 20 0 GFADRO O=S1(=O)CCCN1CCC[NH2+]Cc1cc(Cl)ccc1Br ZINC000608141946 566006499 /nfs/dbraw/zinc/00/64/99/566006499.db2.gz CYKJGMXWLPSAOK-UHFFFAOYSA-N 1 0 381.723 2.618 20 0 GFADRO Cc1c(Br)cccc1CNC(=O)NCC(C)(C)N1CC[NH+](C)CC1 ZINC000654362787 566006983 /nfs/dbraw/zinc/00/69/83/566006983.db2.gz BCCGIDLBFHFXNL-UHFFFAOYSA-N 1 0 397.361 2.583 20 0 GFADRO C[C@H](CCNS(=O)(=O)Cc1ncsc1Br)[NH+]1CCCCC1 ZINC000632205082 566010537 /nfs/dbraw/zinc/01/05/37/566010537.db2.gz VFYDEYYMHRXIEW-LLVKDONJSA-N 1 0 396.376 2.590 20 0 GFADRO O=C(Nc1ccc(Br)c(F)c1)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000608328553 566011265 /nfs/dbraw/zinc/01/12/65/566011265.db2.gz BKUMRAWHJXNRDF-HUUCEWRRSA-N 1 0 386.265 2.651 20 0 GFADRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)c2cnc3ncc(Br)cc3c2)C1 ZINC000654549588 566013682 /nfs/dbraw/zinc/01/36/82/566013682.db2.gz SNYRUMNRSHHSMW-OAHLLOKOSA-N 1 0 377.286 2.947 20 0 GFADRO C[C@H](CNC(=O)N[C@@H]1CC[N@H+](CC2CC2)C1)Oc1ccc(Br)cc1 ZINC000608437993 566014699 /nfs/dbraw/zinc/01/46/99/566014699.db2.gz VURYJORWLMXIRQ-CZUORRHYSA-N 1 0 396.329 3.000 20 0 GFADRO CC(C)[C@H]([NH2+]C[C@H](O)COc1ccc(Cl)c(Cl)c1)C(=O)N1CCCC1 ZINC000678778664 566020226 /nfs/dbraw/zinc/02/02/26/566020226.db2.gz ZDPSVAUWIOVGMM-GUYCJALGSA-N 1 0 389.323 2.970 20 0 GFADRO C[C@@H](CNC(=O)NC[C@H]1CCC[N@H+](C)C1)Oc1ccc(Br)cc1 ZINC000608675518 566021094 /nfs/dbraw/zinc/02/10/94/566021094.db2.gz GVFCRJIXCLUZEX-UONOGXRCSA-N 1 0 384.318 2.857 20 0 GFADRO COc1cc(CNC2CC[NH+](C[C@@H]3CCCO3)CC2)c(Br)cc1O ZINC000678930941 566025673 /nfs/dbraw/zinc/02/56/73/566025673.db2.gz WGOKVRYMUPTSMC-HNNXBMFYSA-N 1 0 399.329 2.896 20 0 GFADRO CO[C@H](C(=O)NC[C@@]1([NH+](C)C)CCSC1)c1ccccc1Br ZINC000654856258 566025660 /nfs/dbraw/zinc/02/56/60/566025660.db2.gz YGLSTGSYAIZZJR-HOCLYGCPSA-N 1 0 387.343 2.690 20 0 GFADRO CCC[N@@H+]1CCC[C@H]1C(=O)NCCc1ccc(I)s1 ZINC000608881523 566025813 /nfs/dbraw/zinc/02/58/13/566025813.db2.gz XWNVONPSJKPWJP-LBPRGKRZSA-N 1 0 392.306 2.886 20 0 GFADRO CS(=O)(=O)N1CCC([NH2+]C2(c3cccc(Br)c3)CCC2)CC1 ZINC000679014549 566028197 /nfs/dbraw/zinc/02/81/97/566028197.db2.gz XHLAWDVDJGXYTC-UHFFFAOYSA-N 1 0 387.343 2.842 20 0 GFADRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)Nc2cc(Cl)ccc2C(F)(F)F)C1 ZINC000654890417 566028348 /nfs/dbraw/zinc/02/83/48/566028348.db2.gz VSMROZJCFMQPIG-JGZJWPJOSA-N 1 0 377.794 2.754 20 0 GFADRO Cc1cc(NC(=O)C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)ccc1Br ZINC000654946597 566031145 /nfs/dbraw/zinc/03/11/45/566031145.db2.gz MTRGNTCGWLITLZ-HOTGVXAUSA-N 1 0 394.313 2.829 20 0 GFADRO O=C(Nc1cccc(Br)c1)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000654945918 566031510 /nfs/dbraw/zinc/03/15/10/566031510.db2.gz HEUNPLQWWHSQBO-HUUCEWRRSA-N 1 0 380.286 2.521 20 0 GFADRO CC[C@@H](C)[N@H+](C)CCNC(=O)c1ccc(I)c(F)c1 ZINC000609171440 566032607 /nfs/dbraw/zinc/03/26/07/566032607.db2.gz YXLPSYHOSDCBIQ-SNVBAGLBSA-N 1 0 378.229 2.890 20 0 GFADRO C[C@@H](NC(=O)CCCCc1ccc(Cl)c(Cl)c1)C(=O)NCC[NH+](C)C ZINC000655081655 566038810 /nfs/dbraw/zinc/03/88/10/566038810.db2.gz YGEKQNBHZKXJPQ-CYBMUJFWSA-N 1 0 388.339 2.889 20 0 GFADRO C[C@H]1CC[N@H+](CC(=O)NCc2c(F)c(F)c(Br)c(F)c2F)C1 ZINC000655154843 566042487 /nfs/dbraw/zinc/04/24/87/566042487.db2.gz BLAMTZULPRPRPU-ZETCQYMHSA-N 1 0 383.183 2.964 20 0 GFADRO O=C(NCCOc1cccc(Cl)c1Cl)NC[C@H]1CCCC[N@H+]1CCO ZINC000655147253 566042584 /nfs/dbraw/zinc/04/25/84/566042584.db2.gz CEFQHWYSIYPMLJ-CYBMUJFWSA-N 1 0 390.311 2.518 20 0 GFADRO O=C(Nc1cnn(-c2cc[nH+]cc2)c1)C(=O)Nc1ccccc1Br ZINC000679511919 566043873 /nfs/dbraw/zinc/04/38/73/566043873.db2.gz QYNSFZURSRCDOY-UHFFFAOYSA-N 1 0 386.209 2.607 20 0 GFADRO O=c1[nH]c2ccc(S(=O)(=O)N[C@@H]3CC[N@@H+](C4CCCCC4)C3)cc2s1 ZINC000632559744 566045670 /nfs/dbraw/zinc/04/56/70/566045670.db2.gz MQNPKPDMHFFVFE-GFCCVEGCSA-N 1 0 381.523 2.687 20 0 GFADRO O=C(N[C@@H](CCO)c1ccccc1Br)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000679775550 566052193 /nfs/dbraw/zinc/05/21/93/566052193.db2.gz IAJGPYMPKHZWRT-KEYYUXOJSA-N 1 0 396.329 2.799 20 0 GFADRO C[N@@H+](Cc1ccccc1)C[C@H](O)CN[C@H](CO)c1cccc(Br)c1 ZINC000679832516 566054835 /nfs/dbraw/zinc/05/48/35/566054835.db2.gz QYKIQLSZHWTAKI-RTBURBONSA-N 1 0 393.325 2.565 20 0 GFADRO CCC1([NH+](C)C)CCN(S(=O)(=O)c2nc(C)c(Br)s2)CC1 ZINC000632659132 566055670 /nfs/dbraw/zinc/05/56/70/566055670.db2.gz XVIDKMBTGNBNRV-UHFFFAOYSA-N 1 0 396.376 2.709 20 0 GFADRO CO[C@@H](C(=O)Nc1cnc2c(c1)C[NH2+]CC2)c1ccccc1Br ZINC000655451366 566057113 /nfs/dbraw/zinc/05/71/13/566057113.db2.gz HVWGJSUSAGEAPR-MRXNPFEDSA-N 1 0 376.254 2.816 20 0 GFADRO Cc1cc(S(=O)(=O)N2CCC(CC[NH+]3CCOCC3)CC2)ccc1Cl ZINC000655493972 566059923 /nfs/dbraw/zinc/05/99/23/566059923.db2.gz VGPZFAMDYBEOCE-UHFFFAOYSA-N 1 0 386.945 2.771 20 0 GFADRO [NH3+]C[C@H](C(=O)N1CCOc2cccc(Br)c2C1)c1ccccc1 ZINC000655503795 566061022 /nfs/dbraw/zinc/06/10/22/566061022.db2.gz JONQKBMZINCCTG-AWEZNQCLSA-N 1 0 375.266 2.913 20 0 GFADRO [NH3+]C[C@@H](NC(=O)[C@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1)C(F)(F)F ZINC000655508432 566061064 /nfs/dbraw/zinc/06/10/64/566061064.db2.gz FJIYIPQXUKBBPQ-VXGBXAGGSA-N 1 0 398.212 2.604 20 0 GFADRO Cc1c(Br)cccc1CS(=O)(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000655510639 566062416 /nfs/dbraw/zinc/06/24/16/566062416.db2.gz ZYVPDSKHZVKWSH-AWEZNQCLSA-N 1 0 389.359 2.861 20 0 GFADRO Cc1c(C(=O)N[C@@H](C[NH3+])C(F)(F)F)cnn1-c1cccc(Br)c1 ZINC000655512642 566062582 /nfs/dbraw/zinc/06/25/82/566062582.db2.gz XPMAXEDBOVGXIL-LBPRGKRZSA-N 1 0 391.191 2.563 20 0 GFADRO C[NH+](C)CC[C@@H](N)C(=O)N1CCN(c2cc(Cl)c(Cl)c(Cl)c2)CC1 ZINC000655525843 566063371 /nfs/dbraw/zinc/06/33/71/566063371.db2.gz UKXNDIXKHMKPGC-CQSZACIVSA-N 1 0 393.746 2.574 20 0 GFADRO CC[NH+](CC)CCOCCNC(=O)C1(c2ccc(Br)cc2)CC1 ZINC000680402519 566070172 /nfs/dbraw/zinc/07/01/72/566070172.db2.gz WLIIDAKQORGOSB-UHFFFAOYSA-N 1 0 383.330 2.955 20 0 GFADRO O=C(NC1CC([NH+]2CCCCC2)C1)c1cc(Br)c2nccn2c1 ZINC000632812328 566070323 /nfs/dbraw/zinc/07/03/23/566070323.db2.gz VQMWUAGIQZWXSY-UHFFFAOYSA-N 1 0 377.286 2.844 20 0 GFADRO O=C(c1cnn(-c2cccc(Br)c2)c1)N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000632860779 566071225 /nfs/dbraw/zinc/07/12/25/566071225.db2.gz MSSQFOPTQPAORJ-CXAGYDPISA-N 1 0 389.297 2.849 20 0 GFADRO COc1cc(C(=O)N2CCC[C@@H]3C[NH2+]CC[C@H]32)cc(OC)c1Br ZINC000632861168 566071317 /nfs/dbraw/zinc/07/13/17/566071317.db2.gz LKRITCKZPXSREZ-DGCLKSJQSA-N 1 0 383.286 2.680 20 0 GFADRO COc1ccc(CCC(=O)N2CCC[C@H]3C[NH2+]CC[C@@H]32)c(Br)c1 ZINC000632864976 566071825 /nfs/dbraw/zinc/07/18/25/566071825.db2.gz OFMTWYWBMLONSS-YOEHRIQHSA-N 1 0 381.314 2.991 20 0 GFADRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)NCc1c(Br)cnn1C ZINC000632899102 566073347 /nfs/dbraw/zinc/07/33/47/566073347.db2.gz WQARAJIEXWSLGF-ZDUSSCGKSA-N 1 0 386.338 2.636 20 0 GFADRO C[C@H]1C[C@@H]([NH3+])CN1C(=O)Nc1cc(Br)cnc1OCC(F)(F)F ZINC000632913221 566074339 /nfs/dbraw/zinc/07/43/39/566074339.db2.gz IMLOIWZQSLFJBE-IONNQARKSA-N 1 0 397.195 2.739 20 0 GFADRO C[C@@H]1C[C@H]([NH3+])CN1C(=O)Nc1ccnn1Cc1cccc(Br)c1 ZINC000632937305 566074995 /nfs/dbraw/zinc/07/49/95/566074995.db2.gz YOUNYMWAVSMZFE-RISCZKNCSA-N 1 0 378.274 2.647 20 0 GFADRO O=C(Nc1cccc(Cl)c1OCC(F)F)N1CCC([NH2+]CCO)CC1 ZINC000632946863 566076078 /nfs/dbraw/zinc/07/60/78/566076078.db2.gz SQMYTYUIUAOBTO-UHFFFAOYSA-N 1 0 377.819 2.562 20 0 GFADRO CC(C)Oc1cc(NC(=O)N2CCO[C@@H]([C@H](C)[NH3+])C2)ccc1Br ZINC000632960675 566077242 /nfs/dbraw/zinc/07/72/42/566077242.db2.gz ITOCXHQCSQEIPT-XHDPSFHLSA-N 1 0 386.290 2.816 20 0 GFADRO Cc1cc(Br)cc(NC(=O)C(=O)N[C@H]2CC[NH2+]CC(C)(C)C2)c1 ZINC000633045705 566080380 /nfs/dbraw/zinc/08/03/80/566080380.db2.gz KGHAJSHFUBWXAJ-ZDUSSCGKSA-N 1 0 382.302 2.590 20 0 GFADRO [NH3+]C[C@H]1CC[C@H](NC(=O)C(=O)Nc2ccc(Cl)cc2Br)CC1 ZINC000633036494 566080736 /nfs/dbraw/zinc/08/07/36/566080736.db2.gz KZKNHQLECYBUGC-HOMQSWHASA-N 1 0 388.693 2.675 20 0 GFADRO [NH3+]C[C@H]1CC[C@H](NC(=O)C(=O)Nc2cc3c(cc2Br)CCC3)CC1 ZINC000633035957 566080860 /nfs/dbraw/zinc/08/08/60/566080860.db2.gz IRGNCGWBHRJVQY-YEORSEQZSA-N 1 0 394.313 2.510 20 0 GFADRO Brc1cc(C[NH2+]C2CCN([C@H]3CCOC3)CC2)cc2c1OCO2 ZINC000655699642 566082434 /nfs/dbraw/zinc/08/24/34/566082434.db2.gz HCAIMFNIMOIDBU-AWEZNQCLSA-N 1 0 383.286 2.521 20 0 GFADRO Cc1nn(-c2ccccc2Br)cc1C[NH2+]CCNC(=O)C1CC1 ZINC000655710130 566082583 /nfs/dbraw/zinc/08/25/83/566082583.db2.gz CFOFMJPJQMPYIK-UHFFFAOYSA-N 1 0 377.286 2.559 20 0 GFADRO C[N@@H+]1CCC[C@H](CNC(=O)N[C@@H]2[C@@H]3Cc4c(cccc4Br)[C@@H]32)C1 ZINC000633086568 566082521 /nfs/dbraw/zinc/08/25/21/566082521.db2.gz XJXSSDHIRMZGCG-QQDQCYIDSA-N 1 0 378.314 2.728 20 0 GFADRO O[C@@H](C[NH2+]C1CCN([C@@H]2CCOC2)CC1)COc1cccc(Cl)c1Cl ZINC000655699928 566082785 /nfs/dbraw/zinc/08/27/85/566082785.db2.gz HZXBZAXGBSXXJD-CABCVRRESA-N 1 0 389.323 2.576 20 0 GFADRO CN1CC[NH+]([C@H]2CC[C@@H](NC(=O)c3cc(F)cc(Br)c3)CC2)CC1 ZINC000680840598 566084441 /nfs/dbraw/zinc/08/44/41/566084441.db2.gz ANPUYQFVMJZSRR-CALCHBBNSA-N 1 0 398.320 2.877 20 0 GFADRO Cc1nn(-c2ccccc2Br)cc1C[NH2+]CCN1CCO[C@@H](C)C1 ZINC000655730285 566084582 /nfs/dbraw/zinc/08/45/82/566084582.db2.gz REVPUDGQMLBLJD-AWEZNQCLSA-N 1 0 393.329 2.754 20 0 GFADRO CCC[C@H](O)[C@@H](CO)[NH2+]Cc1cn(-c2cccc(Br)c2)nc1C ZINC000655779971 566088303 /nfs/dbraw/zinc/08/83/03/566088303.db2.gz CKOSAALAJXXHII-SJORKVTESA-N 1 0 382.302 2.555 20 0 GFADRO CCC[C@@H](O)[C@H](CO)[NH2+]Cc1cn(-c2cccc(Br)c2)nc1C ZINC000655779962 566088473 /nfs/dbraw/zinc/08/84/73/566088473.db2.gz CKOSAALAJXXHII-DLBZAZTESA-N 1 0 382.302 2.555 20 0 GFADRO COc1c(Br)cc(C[NH2+]C[C@@](C)(CO)OC)cc1Br ZINC000655808808 566090507 /nfs/dbraw/zinc/09/05/07/566090507.db2.gz JGWMVUHNAWFJRV-ZDUSSCGKSA-N 1 0 397.107 2.707 20 0 GFADRO C[C@H](NC(=O)N1CCC(C)([NH+]2CCCC2)CC1)c1ncc(Br)cn1 ZINC000633261967 566093188 /nfs/dbraw/zinc/09/31/88/566093188.db2.gz HWLPHNYNKHVOFV-ZDUSSCGKSA-N 1 0 396.333 2.960 20 0 GFADRO Cc1cc(Br)cc2c1CN(C(=O)N[C@H](C[NH3+])C(F)(F)F)CC2 ZINC000655923919 566096670 /nfs/dbraw/zinc/09/66/70/566096670.db2.gz YMSWAWMMZQEEKN-GFCCVEGCSA-N 1 0 380.208 2.715 20 0 GFADRO C[NH+](C)[C@]1(CNC(=O)N2Cc3cccc(Br)c3C2)CCSC1 ZINC000681161857 566096860 /nfs/dbraw/zinc/09/68/60/566096860.db2.gz OEEQKZRZSKCWLK-INIZCTEOSA-N 1 0 384.343 2.912 20 0 GFADRO Cc1c(Br)cccc1CS(=O)(=O)N1C[C@H]([NH3+])Cc2ccccc21 ZINC000655954488 566098691 /nfs/dbraw/zinc/09/86/91/566098691.db2.gz YAWKOUNAQAWKPG-OAHLLOKOSA-N 1 0 395.322 2.977 20 0 GFADRO [NH3+]C[C@@H](NC(=O)C(=O)NCCCc1c(Cl)cccc1Cl)C1CCCC1 ZINC000656023384 566100954 /nfs/dbraw/zinc/10/09/54/566100954.db2.gz AICAXCSHDORERX-MRXNPFEDSA-N 1 0 386.323 2.676 20 0 GFADRO C[N@@H+]1CCCC[C@H]1C(=O)N1CCO[C@H](c2ccc(F)c(Br)c2)C1 ZINC000681363824 566104151 /nfs/dbraw/zinc/10/41/51/566104151.db2.gz ZUOZVGAEOZEOOT-HOTGVXAUSA-N 1 0 385.277 2.972 20 0 GFADRO C[C@H](C[NH2+]C[C@@H](O)COc1cc(Cl)ccc1Cl)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656153679 566106856 /nfs/dbraw/zinc/10/68/56/566106856.db2.gz ZVBYVLQRKWRIKB-HGTKMLMNSA-N 1 0 391.339 2.820 20 0 GFADRO CC[N@@H+]1CCN(CC(=O)Nc2c(Cl)cc(Cl)cc2C(=O)OC)C[C@@H]1C ZINC000611091723 566113646 /nfs/dbraw/zinc/11/36/46/566113646.db2.gz CYSHZLDIZVFWHV-NSHDSACASA-N 1 0 388.295 2.745 20 0 GFADRO O[C@@H]1C[C@H]2CN(c3ccc4c(Cl)ccc(Br)c4n3)CC[N@@H+]2C1 ZINC000656219279 566114492 /nfs/dbraw/zinc/11/44/92/566114492.db2.gz RYRHWAXBLKIRMO-WDEREUQCSA-N 1 0 382.689 2.906 20 0 GFADRO COCCn1cc(C(=O)N[C@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)cn1 ZINC000633687638 566114949 /nfs/dbraw/zinc/11/49/49/566114949.db2.gz SNCORQCDEHGSKH-MRXNPFEDSA-N 1 0 385.295 2.869 20 0 GFADRO Cc1cc(Br)cc(NC(=O)NCC(C)(C)N2CC[NH+](C)CC2)c1 ZINC000681617913 566118594 /nfs/dbraw/zinc/11/85/94/566118594.db2.gz XVPYIPWHGPGEFX-UHFFFAOYSA-N 1 0 383.334 2.905 20 0 GFADRO CNC(=O)[C@]1(C)CC[N@H+](Cc2cn(-c3ccccc3Br)nc2C)C1 ZINC000656258786 566118796 /nfs/dbraw/zinc/11/87/96/566118796.db2.gz VNWKYTPAZQIXET-GOSISDBHSA-N 1 0 391.313 2.901 20 0 GFADRO Cc1nn(-c2cccc(Br)c2)cc1CN1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000656258400 566119043 /nfs/dbraw/zinc/11/90/43/566119043.db2.gz RSPIHCXXYVYIHJ-IYBDPMFKSA-N 1 0 375.314 2.937 20 0 GFADRO COc1cc(Br)ccc1CNC(=O)N[C@@H](C)C1CC[NH+](C)CC1 ZINC000681655632 566120020 /nfs/dbraw/zinc/12/00/20/566120020.db2.gz SPNSMHOSKZVILC-LBPRGKRZSA-N 1 0 384.318 2.987 20 0 GFADRO COCC[NH2+]Cc1ccn(Cc2cn(-c3ccc(Cl)cc3Cl)nn2)n1 ZINC000656437551 566126928 /nfs/dbraw/zinc/12/69/28/566126928.db2.gz XKBBROKPRMURDM-UHFFFAOYSA-N 1 0 381.267 2.555 20 0 GFADRO COC(=O)c1cc(NC(=O)N[C@H]2CC[N@H+](CC3CC3)C2)ccc1Br ZINC000611391788 566129405 /nfs/dbraw/zinc/12/94/05/566129405.db2.gz PQLLNVZHTBHLNR-ZDUSSCGKSA-N 1 0 396.285 2.842 20 0 GFADRO CC1([NH+]2CCCC2)CCN(C(=O)COc2ccc(Br)cn2)CC1 ZINC000633948282 566132661 /nfs/dbraw/zinc/13/26/61/566132661.db2.gz ZQVHGUALUSAWBB-UHFFFAOYSA-N 1 0 382.302 2.700 20 0 GFADRO CCO[C@@H]1C[C@@](CO)([NH2+]Cc2cn3cc(Br)ccc3n2)C1(C)C ZINC000682043358 566141595 /nfs/dbraw/zinc/14/15/95/566141595.db2.gz PUBPGEXYTQVFMI-PBHICJAKSA-N 1 0 382.302 2.753 20 0 GFADRO Cc1ccc(CN2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)cc1Br ZINC000682085474 566143057 /nfs/dbraw/zinc/14/30/57/566143057.db2.gz GOVBRZHGYKDIFB-QGZVFWFLSA-N 1 0 380.330 2.672 20 0 GFADRO CCC[N@H+](CC)CCNC(=O)[C@@H]1CCO[C@H]1c1cncc(Br)c1 ZINC000611803145 566143058 /nfs/dbraw/zinc/14/30/58/566143058.db2.gz XMLVUAUULXYHGK-CVEARBPZSA-N 1 0 384.318 2.770 20 0 GFADRO CS(=O)(=O)N(CC(F)(F)F)C1CC[NH+]([C@@H]2CCc3ccccc32)CC1 ZINC000682069630 566143542 /nfs/dbraw/zinc/14/35/42/566143542.db2.gz GZRFWITWJBAAIW-MRXNPFEDSA-N 1 0 376.444 2.962 20 0 GFADRO CC(C)[NH2+][C@@H]1CCCN(C[C@@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000682218113 566147601 /nfs/dbraw/zinc/14/76/01/566147601.db2.gz DCAHBZQMLLEJNO-HZPDHXFCSA-N 1 0 389.309 2.790 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)C(=O)N[C@@H](CC)C[NH+]1CCCC1 ZINC000682277980 566149021 /nfs/dbraw/zinc/14/90/21/566149021.db2.gz QBDMZVBWBGFPQP-HNNXBMFYSA-N 1 0 396.329 2.941 20 0 GFADRO CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)Nc1ccc(Br)cc1C ZINC000682272568 566149435 /nfs/dbraw/zinc/14/94/35/566149435.db2.gz MNQNKLKVMOHKBF-CQSZACIVSA-N 1 0 382.302 2.687 20 0 GFADRO CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)Nc2cc(F)ccc2Br)C1 ZINC000682356154 566151835 /nfs/dbraw/zinc/15/18/35/566151835.db2.gz QQFZDQLZIPAYFR-GFCCVEGCSA-N 1 0 386.265 2.516 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)N1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000682357025 566151956 /nfs/dbraw/zinc/15/19/56/566151956.db2.gz ZJYIVRLHGRKGNM-OAHLLOKOSA-N 1 0 396.329 2.993 20 0 GFADRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)[C@@H]1CCO[C@H]1c1cncc(Br)c1 ZINC000612303916 566157635 /nfs/dbraw/zinc/15/76/35/566157635.db2.gz KGISEDCMENCMDZ-QYHDQYMBSA-N 1 0 394.313 2.521 20 0 GFADRO NC(=O)[C@@H](Cc1ccc(F)cc1)[NH2+][C@@H]1[C@H]2Cc3cc(Br)ccc3[C@@H]12 ZINC000634577568 566160740 /nfs/dbraw/zinc/16/07/40/566160740.db2.gz OTOFOALHIMAVPE-BSDSXHPESA-N 1 0 389.268 2.913 20 0 GFADRO C[NH+](C)C1(C(=O)NC2CCN(Cc3ccc(Br)cc3)CC2)CC1 ZINC000612441506 566162417 /nfs/dbraw/zinc/16/24/17/566162417.db2.gz KPMBWDPHMDOCPM-UHFFFAOYSA-N 1 0 380.330 2.624 20 0 GFADRO CC[NH+]1CCN(CC(=O)N2CCc3cc(Br)c(Cl)cc32)CC1 ZINC000682569293 566163524 /nfs/dbraw/zinc/16/35/24/566163524.db2.gz NVLTYDYDPTYVMP-UHFFFAOYSA-N 1 0 386.721 2.629 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@H]1CN1C(=O)N[C@@H](c2ccc(Br)cc2)C1=O ZINC000656821865 566167394 /nfs/dbraw/zinc/16/73/94/566167394.db2.gz MGCOMZMELVUJPS-KBPBESRZSA-N 1 0 380.286 2.915 20 0 GFADRO Cc1c2cc(C(=O)N[C@H](C)[C@@H]3CN(C)CCO3)[nH]c2ccc1Br ZINC000612669024 566169536 /nfs/dbraw/zinc/16/95/36/566169536.db2.gz CXNPXDMFBJOOAK-BZNIZROVSA-N 1 0 380.286 2.688 20 0 GFADRO COC1CC[NH+](CCNC(=O)C2(c3ccccc3Br)CC2)CC1 ZINC000682730285 566169803 /nfs/dbraw/zinc/16/98/03/566169803.db2.gz WQCLXPRNXQOHBH-UHFFFAOYSA-N 1 0 381.314 2.708 20 0 GFADRO CNC(=O)c1cccc(C[NH2+]C[C@H](O)COc2cc(Cl)cc(Cl)c2)c1 ZINC000634699577 566170505 /nfs/dbraw/zinc/17/05/05/566170505.db2.gz MBBPCDJXEZLBNX-INIZCTEOSA-N 1 0 383.275 2.883 20 0 GFADRO COCC[N@@H+]1CCCN(C(=O)c2cn(C)nc2-c2ccc(Cl)s2)CC1 ZINC000682805618 566170504 /nfs/dbraw/zinc/17/05/04/566170504.db2.gz JOJHKOYJHDVBBB-UHFFFAOYSA-N 1 0 382.917 2.596 20 0 GFADRO [NH3+]C[C@@H]1CCN(CC(=O)Nc2ccc(Br)cn2)c2ccccc21 ZINC000634690725 566170693 /nfs/dbraw/zinc/17/06/93/566170693.db2.gz ROUAGASMLYBOIW-LBPRGKRZSA-N 1 0 375.270 2.735 20 0 GFADRO C[C@@](O)(C[C@@H](O)C[NH2+]CCc1c[nH]c2cccc(Br)c12)C1CC1 ZINC000634714911 566172159 /nfs/dbraw/zinc/17/21/59/566172159.db2.gz UGTNPNJURVGSAE-RDTXWAMCSA-N 1 0 381.314 2.975 20 0 GFADRO C[C@H](NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ncc(Br)cn1 ZINC000634713809 566172352 /nfs/dbraw/zinc/17/23/52/566172352.db2.gz BFXZNSMITPVNFQ-KBXCAEBGSA-N 1 0 391.313 2.527 20 0 GFADRO C[C@@H](CC(F)(F)F)CS(=O)(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000656879433 566172666 /nfs/dbraw/zinc/17/26/66/566172666.db2.gz MVFUDWMTIGZRGY-ZDUSSCGKSA-N 1 0 382.448 2.635 20 0 GFADRO CC[NH+]1CCN(c2nnc(-c3cc(Br)cn3C)n2CC2CC2)CC1 ZINC000612748334 566173258 /nfs/dbraw/zinc/17/32/58/566173258.db2.gz ZTEDYCIAPHZUQZ-UHFFFAOYSA-N 1 0 393.333 2.598 20 0 GFADRO OC[C@H]([NH2+]C[C@@H](O)COCc1cccs1)c1cccc(C(F)(F)F)c1 ZINC000634723692 566173714 /nfs/dbraw/zinc/17/37/14/566173714.db2.gz BCVRVEVBEKMULC-ZBFHGGJFSA-N 1 0 375.412 2.968 20 0 GFADRO COC[C@H](C)OC[C@@H](O)C[NH2+][C@H](C)c1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC000634727247 566173833 /nfs/dbraw/zinc/17/38/33/566173833.db2.gz OLVIMEACRSMOGG-AXFHLTTASA-N 1 0 376.284 2.933 20 0 GFADRO Cn1ncc(Br)c1C[NH2+]C[C@@H](O)COCc1ccc(Cl)cc1 ZINC000634726739 566173844 /nfs/dbraw/zinc/17/38/44/566173844.db2.gz ZPBHCEFZGDOOIB-CYBMUJFWSA-N 1 0 388.693 2.503 20 0 GFADRO COC1CC[NH+](C(C)(C)CNS(=O)(=O)CCc2ccccc2Cl)CC1 ZINC000656895651 566177617 /nfs/dbraw/zinc/17/76/17/566177617.db2.gz BDUUCFUAPWXVBU-UHFFFAOYSA-N 1 0 388.961 2.691 20 0 GFADRO O=C(N[C@@H]1CC12CC[NH2+]CC2)N1CCN(c2cc(Cl)ccc2Cl)CC1 ZINC000612992647 566181266 /nfs/dbraw/zinc/18/12/66/566181266.db2.gz IQEDPYLOVMQWLT-MRXNPFEDSA-N 1 0 383.323 2.967 20 0 GFADRO Cc1cc(Br)cc2c1CN(C(=O)N[C@@H]1CC13CC[NH2+]CC3)CC2 ZINC000612980816 566181537 /nfs/dbraw/zinc/18/15/37/566181537.db2.gz VPIIFSUEOMGQTO-MRXNPFEDSA-N 1 0 378.314 2.967 20 0 GFADRO O=C(N[C@H]1CC12CC[NH2+]CC2)N1CCN(c2ccc(Cl)cc2Cl)CC1 ZINC000612996897 566182541 /nfs/dbraw/zinc/18/25/41/566182541.db2.gz TXXDVBSBHNVGJR-INIZCTEOSA-N 1 0 383.323 2.967 20 0 GFADRO C[NH+](C)C1CN(C(=O)Cc2ccc(Br)c(Br)c2)C1 ZINC000613117423 566185049 /nfs/dbraw/zinc/18/50/49/566185049.db2.gz HRHWJZJUJUCYPU-UHFFFAOYSA-N 1 0 376.092 2.527 20 0 GFADRO COCCN(Cc1cc(Br)cs1)C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000683150044 566185742 /nfs/dbraw/zinc/18/57/42/566185742.db2.gz UUOFLTQRDSTLSG-CYBMUJFWSA-N 1 0 390.347 2.763 20 0 GFADRO CCC(=O)N1CCC([NH2+]C[C@H](CO)Cc2cccc(Br)c2)CC1 ZINC000683206168 566188696 /nfs/dbraw/zinc/18/86/96/566188696.db2.gz NIAUCPDVUGYUME-OAHLLOKOSA-N 1 0 383.330 2.591 20 0 GFADRO CC(C)N(CC[NH+](C)C)S(=O)(=O)Cc1cc(F)ccc1Br ZINC000656939511 566188741 /nfs/dbraw/zinc/18/87/41/566188741.db2.gz FQTQHVYQMJMRPR-UHFFFAOYSA-N 1 0 381.311 2.690 20 0 GFADRO CN1CC[NH+]([C@H]2CC[C@@H](NC(=O)c3cccc(Br)c3F)CC2)CC1 ZINC000683252614 566189626 /nfs/dbraw/zinc/18/96/26/566189626.db2.gz QXYLGFHVEQQHIG-OKILXGFUSA-N 1 0 398.320 2.877 20 0 GFADRO C[C@H](C[N@H+](C)Cc1ccccc1)NS(=O)(=O)c1ncccc1Br ZINC000656952843 566192089 /nfs/dbraw/zinc/19/20/89/566192089.db2.gz FTMPVEUZXLHNCI-CYBMUJFWSA-N 1 0 398.326 2.643 20 0 GFADRO COc1ccc(CCC(=O)N2CC[C@H]3CC[N@H+](C)C[C@H]32)c(Br)c1 ZINC000613328488 566193753 /nfs/dbraw/zinc/19/37/53/566193753.db2.gz MVKNEGPRPOVTAR-RHSMWYFYSA-N 1 0 381.314 2.943 20 0 GFADRO C[C@@H]1C[NH+](CCCNC(=O)c2cc(F)c(Cl)c(N)c2Cl)C[C@@H](C)O1 ZINC000635170512 566197174 /nfs/dbraw/zinc/19/71/74/566197174.db2.gz GFHHRCAUQRZLJP-NXEZZACHSA-N 1 0 378.275 2.944 20 0 GFADRO C[NH+](C)CC1(C(=O)NC[C@H]2CCN(c3ccc(Br)cc3)C2)CC1 ZINC000635395151 566209791 /nfs/dbraw/zinc/20/97/91/566209791.db2.gz OOPRJBJNUSYOAE-CQSZACIVSA-N 1 0 380.330 2.733 20 0 GFADRO C[N@@H+]1CC[C@@H](CC(=O)NC[C@@H]2CCN(c3cccc(Br)c3)C2)C1 ZINC000635419046 566211840 /nfs/dbraw/zinc/21/18/40/566211840.db2.gz KJOJHWJLAWNIHU-GJZGRUSLSA-N 1 0 380.330 2.733 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@H](NS(=O)(=O)c2ccc(F)c(Br)c2)C1 ZINC000657060949 566214836 /nfs/dbraw/zinc/21/48/36/566214836.db2.gz KGPJAJLAOTYNBZ-JTQLQIEISA-N 1 0 379.295 2.739 20 0 GFADRO Cc1cc(S(=O)(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)sc1Br ZINC000657062792 566215501 /nfs/dbraw/zinc/21/55/01/566215501.db2.gz TUWNOBOLYGITDA-JTQLQIEISA-N 1 0 381.361 2.970 20 0 GFADRO Cc1c(C(=O)N2CCC3(C[NH+](C)C3)C2)cnn1-c1ccc(Br)cc1 ZINC000683907893 566218462 /nfs/dbraw/zinc/21/84/62/566218462.db2.gz GBTQKEPDPMCENP-UHFFFAOYSA-N 1 0 389.297 2.721 20 0 GFADRO C[C@H](Oc1cccc(Cl)c1Cl)C(=O)N1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000683914247 566218533 /nfs/dbraw/zinc/21/85/33/566218533.db2.gz UKPUGTSBOFONOI-YVEFUNNKSA-N 1 0 375.296 2.676 20 0 GFADRO CCN1CC[NH+](CCCCNC(=O)c2cc(F)c(Cl)c(N)c2Cl)CC1 ZINC000635561683 566218946 /nfs/dbraw/zinc/21/89/46/566218946.db2.gz UASBKZPEMLWNQL-UHFFFAOYSA-N 1 0 391.318 2.862 20 0 GFADRO C[N@H+](CCN1CCOC(C)(C)C1)C[C@@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000684002853 566222609 /nfs/dbraw/zinc/22/26/09/566222609.db2.gz BBVFKBLHJNRQOT-CQSZACIVSA-N 1 0 391.339 2.776 20 0 GFADRO Cc1nc(CS(=O)(=O)N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)cs1 ZINC000684102111 566226455 /nfs/dbraw/zinc/22/64/55/566226455.db2.gz OVTPQZFPGSZXRK-QGZVFWFLSA-N 1 0 379.551 2.735 20 0 GFADRO C[NH+]1CC2(C1)CCN(C(=O)CSc1nnc(-c3ccc(Cl)cc3)o1)C2 ZINC000684172505 566229082 /nfs/dbraw/zinc/22/90/82/566229082.db2.gz HEDOINSLLSXYOX-UHFFFAOYSA-N 1 0 378.885 2.646 20 0 GFADRO CNS(=O)(=O)Cc1ccc(C[NH2+][C@H](C)c2ccc(Br)cn2)cc1 ZINC000684551265 566237897 /nfs/dbraw/zinc/23/78/97/566237897.db2.gz PBELSTXLKSAMSJ-GFCCVEGCSA-N 1 0 398.326 2.744 20 0 GFADRO C[C@@H]([NH2+][C@H]1CCN(c2ccccc2C(N)=O)C1)c1ccc(Br)cn1 ZINC000684553664 566238243 /nfs/dbraw/zinc/23/82/43/566238243.db2.gz SRKGJBGRZIQNKZ-OCCSQVGLSA-N 1 0 389.297 2.873 20 0 GFADRO Cc1ncsc1CN1C[C@@H](F)C[C@H]1C[N@@H+](C)Cc1ccc(C(N)=O)cc1 ZINC000275443165 570692233 /nfs/dbraw/zinc/69/22/33/570692233.db2.gz HVJCEJKKNMMRHL-IRXDYDNUSA-N 1 0 376.501 2.595 20 0 GFADRO CCC[N@H+](CCc1cccc(F)c1)CC(=O)Nc1sccc1-c1nn[nH]n1 ZINC000736481640 598832923 /nfs/dbraw/zinc/83/29/23/598832923.db2.gz YVMPJWJQZAXGBE-UHFFFAOYSA-N 1 0 388.472 2.961 20 0 GFADRO C[C@@]1(c2ccccc2)CCC[N@H+](C[C@@H](O)COc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000736227402 598832967 /nfs/dbraw/zinc/83/29/67/598832967.db2.gz DBYMBUUOXFODMV-DENIHFKCSA-N 1 0 393.491 2.660 20 0 GFADRO Cc1ccc(C[C@H]2CCC[N@@H+]2CC(=O)Nc2cccc(-c3nn[nH]n3)c2)cc1 ZINC000737335483 598833605 /nfs/dbraw/zinc/83/36/05/598833605.db2.gz UWTIKFVLIUEHTJ-LJQANCHMSA-N 1 0 376.464 2.821 20 0 GFADRO Cc1ccc(C[C@@H]2CCC[N@@H+]2CC(=O)Nc2sccc2-c2nn[nH]n2)cc1 ZINC000737333398 598834097 /nfs/dbraw/zinc/83/40/97/598834097.db2.gz APYBQEPJFBCYBN-HNNXBMFYSA-N 1 0 382.493 2.882 20 0 GFADRO C[N@@H+]1CCCC[C@@H]1C(=O)NCc1cccc(-c2ccc(-c3nn[nH]n3)s2)c1 ZINC000736859707 598846822 /nfs/dbraw/zinc/84/68/22/598846822.db2.gz HPAFZJHHGYEYLG-OAHLLOKOSA-N 1 0 382.493 2.696 20 0 GFADRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000736400807 598850197 /nfs/dbraw/zinc/85/01/97/598850197.db2.gz SDSULIBFLDPEOS-ZDUSSCGKSA-N 1 0 377.880 2.906 20 0 GFADRO COC(=O)[C@H](c1ccc(-c2nn[nH]n2)cc1)[N@@H+]1CC[C@@H](c2ccccc2C)C1 ZINC000736899615 598860631 /nfs/dbraw/zinc/86/06/31/598860631.db2.gz CAMYLEPYNJJDHO-MJGOQNOKSA-N 1 0 377.448 2.879 20 0 GFADRO C[N@H+](CC(=O)Nc1cc(Cl)ccc1-c1nn[nH]n1)[C@H]1CCc2ccccc2C1 ZINC000736787132 598916690 /nfs/dbraw/zinc/91/66/90/598916690.db2.gz GLZSESKAWCXVET-INIZCTEOSA-N 1 0 396.882 2.948 20 0 GFADRO C[N@H+](CCC(=O)Nc1sccc1-c1nn[nH]n1)[C@@H]1CCc2ccccc2C1 ZINC000736793097 598916980 /nfs/dbraw/zinc/91/69/80/598916980.db2.gz RNAIYDXOOCFVCB-OAHLLOKOSA-N 1 0 382.493 2.746 20 0 GFADRO Cc1ccccc1C[C@H]1CCC[N@@H+]1C[C@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000737428239 598947696 /nfs/dbraw/zinc/94/76/96/598947696.db2.gz VIHVOJRSTPYIGZ-UXHICEINSA-N 1 0 393.491 2.622 20 0 GFADRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(c2c3ccccc3nnc2-c2nn[nH]n2)C1 ZINC000736236100 598959716 /nfs/dbraw/zinc/95/97/16/598959716.db2.gz GWSCBBJAKBWEPW-QLFBSQMISA-N 1 0 378.484 2.652 20 0 GFADRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)cc1C ZINC000737322590 598961262 /nfs/dbraw/zinc/96/12/62/598961262.db2.gz ZPMDQRVSGAIBBM-DNVCBOLYSA-N 1 0 376.464 2.940 20 0 GFADRO Clc1cccc(-c2noc(CC[NH2+]Cc3cccc(-c4nn[nH]n4)c3)n2)c1 ZINC000737574459 598963349 /nfs/dbraw/zinc/96/33/49/598963349.db2.gz KKRDDWFOHAHRDT-UHFFFAOYSA-N 1 0 381.827 2.902 20 0 GFADRO COc1cc(-c2nn[nH]n2)ccc1OCC[N@@H+]1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000737032535 598988132 /nfs/dbraw/zinc/98/81/32/598988132.db2.gz LUWUTEQURRHBQX-INIZCTEOSA-N 1 0 397.454 2.958 20 0 GFADRO C[C@@H](CC[NH+](C)C)NC(=O)c1cccc(COc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000735985951 599032135 /nfs/dbraw/zinc/03/21/35/599032135.db2.gz KBANSALEXGJWQE-HNNXBMFYSA-N 1 0 394.479 2.516 20 0 GFADRO COCCC[N@H+](CCc1ccc(OC)cc1)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000736981604 599081287 /nfs/dbraw/zinc/08/12/87/599081287.db2.gz NNKCWNTZDYLONO-UHFFFAOYSA-N 1 0 381.480 2.957 20 0 GFADRO Cc1oc(NC(=O)C[N@H+]2C[C@@H](c3ccccc3)C[C@@H]2C)c(-c2nn[nH]n2)c1C ZINC000737553613 599081684 /nfs/dbraw/zinc/08/16/84/599081684.db2.gz XWEZTCVCBMKALL-LRDDRELGSA-N 1 0 380.452 2.893 20 0 GFADRO Cc1cc(NCC[N@H+]2CCC[C@@H]2C)n2c3ccccc3nc2c1-c1nn[nH]n1 ZINC000822209479 599086420 /nfs/dbraw/zinc/08/64/20/599086420.db2.gz KSPSUYXORIDKEH-AWEZNQCLSA-N 1 0 376.468 2.872 20 0 GFADRO CC(C)C[C@@H](CNC(=O)c1ccc(-c2nn[nH]n2)nc1)[NH2+][C@@H](C)c1ccccc1 ZINC000735773109 599107644 /nfs/dbraw/zinc/10/76/44/599107644.db2.gz WCDJXZAUQKVGFT-YJBOKZPZSA-N 1 0 393.495 2.757 20 0 GFADRO Fc1cc(-c2nn[nH]n2)ccc1N1CC[NH+](CCCCOc2ccccc2)CC1 ZINC000737640744 599134210 /nfs/dbraw/zinc/13/42/10/599134210.db2.gz OMPYFVYRMFWBCC-UHFFFAOYSA-N 1 0 396.470 2.987 20 0 GFADRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)C=Cc2ccccc2-c2nn[nH]n2)C1 ZINC000821614830 599193462 /nfs/dbraw/zinc/19/34/62/599193462.db2.gz WKHRAWVMNUAQSE-YAINUAMHSA-N 1 0 388.475 2.613 20 0 GFADRO C[C@@H](CCSc1ccccc1)[NH+]1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1 ZINC000820248681 607264273 /nfs/dbraw/zinc/26/42/73/607264273.db2.gz MGUKVORFRZHFRI-INIZCTEOSA-N 1 0 395.536 2.955 20 0 GFADRO c1ccc2c(c1)nc(-c1nn[nH]n1)cc2NCC1([NH+]2CCOCC2)CCCCC1 ZINC000738438294 599256222 /nfs/dbraw/zinc/25/62/22/599256222.db2.gz YCJXQJMUOLMREP-UHFFFAOYSA-N 1 0 393.495 2.862 20 0 GFADRO CC[NH+]1CCN(Cc2ccc(NCc3cc(-c4nn[nH]n4)cs3)cc2)CC1 ZINC000821275972 607308951 /nfs/dbraw/zinc/30/89/51/607308951.db2.gz GCPUTVSLOIIUBQ-UHFFFAOYSA-N 1 0 383.525 2.678 20 0 GFADRO O=C(CC[N@@H+]1CCS[C@H](c2ccccc2)C1)Nc1ccccc1-c1nn[nH]n1 ZINC000737846294 599272418 /nfs/dbraw/zinc/27/24/18/599272418.db2.gz IYNFERWBOXTMJG-SFHVURJKSA-N 1 0 394.504 2.985 20 0 GFADRO Cc1cc(N2CCC[C@@H]([NH2+]C(C)C)C2)n2c3ccccc3nc2c1-c1nn[nH]n1 ZINC000737272899 598243024 /nfs/dbraw/zinc/24/30/24/598243024.db2.gz VPIZTCOVVXWFOR-OAHLLOKOSA-N 1 0 390.495 2.943 20 0 GFADRO C[C@H](CNC(=O)Nc1cc(-c2nn[nH]n2)cn1C(C)(C)C)[N@@H+]1CCCC[C@@H]1C ZINC000736269921 598277908 /nfs/dbraw/zinc/27/79/08/598277908.db2.gz ZESCDUWNWZFOTA-UONOGXRCSA-N 1 0 388.520 2.808 20 0 GFADRO O=C(Nc1ccc(F)cc1)C1CC[NH+](Cc2ccccc2-c2nn[nH]n2)CC1 ZINC000738165045 598301068 /nfs/dbraw/zinc/30/10/68/598301068.db2.gz DCBVZGHAIZOQFV-UHFFFAOYSA-N 1 0 380.427 2.857 20 0 GFADRO CC(C)c1nc(C(=O)N(CC[NH+](C)C)Cc2cccc(-c3nn[nH]n3)c2)cs1 ZINC000735938549 598331638 /nfs/dbraw/zinc/33/16/38/598331638.db2.gz AMGBVUJUXURCGI-UHFFFAOYSA-N 1 0 399.524 2.651 20 0 GFADRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNc2nccnc2-c2nn[nH]n2)C1 ZINC000736227557 598345247 /nfs/dbraw/zinc/34/52/47/598345247.db2.gz LKORNERBJCEJBY-HUUCEWRRSA-N 1 0 378.484 2.747 20 0 GFADRO CC[N@H+](CCNC(=O)N(Cc1ccc(-c2nn[nH]n2)cc1)CC(C)C)C(C)C ZINC000736537914 598361776 /nfs/dbraw/zinc/36/17/76/598361776.db2.gz YMRDMSJEODXFNB-UHFFFAOYSA-N 1 0 387.532 2.765 20 0 GFADRO CCC[N@H+](C)CC(=O)Nc1ccc(OCc2cccc(-c3nn[nH]n3)c2)cc1 ZINC000736472861 598408645 /nfs/dbraw/zinc/40/86/45/598408645.db2.gz UWMVJCCVLDMWDK-UHFFFAOYSA-N 1 0 380.452 2.726 20 0 GFADRO CCC[C@H]([NH2+]Cc1ccc(-c2nn[nH]n2)cc1)C(=O)N1CCc2sccc2C1 ZINC000736435995 598423419 /nfs/dbraw/zinc/42/34/19/598423419.db2.gz ZCWRYJWJIPUBJA-KRWDZBQOSA-N 1 0 396.520 2.771 20 0 GFADRO CC(C)N(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)NC[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000736265638 598428122 /nfs/dbraw/zinc/42/81/22/598428122.db2.gz KNILZIUOYYGHIC-DLBZAZTESA-N 1 0 399.543 2.907 20 0 GFADRO CC(C)N(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000736266904 598429907 /nfs/dbraw/zinc/42/99/07/598429907.db2.gz PZJBSKGSSRICKE-SJORKVTESA-N 1 0 399.543 2.907 20 0 GFADRO CC[C@@H](C)[N@H+](C)CCNC(=O)N(Cc1ccc(-c2nn[nH]n2)cc1)CC(C)C ZINC000736322942 598430742 /nfs/dbraw/zinc/43/07/42/598430742.db2.gz RQPYRRHYIUFODP-MRXNPFEDSA-N 1 0 387.532 2.765 20 0 GFADRO COc1ccc([C@@H]([NH2+]CC(=O)Nc2ccc(-c3nn[nH]n3)cc2)C(C)C)cc1 ZINC000737073515 598431720 /nfs/dbraw/zinc/43/17/20/598431720.db2.gz CSACXHKCQZYWOK-IBGZPJMESA-N 1 0 380.452 2.801 20 0 GFADRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C=Cc1ccccc1-c1nn[nH]n1 ZINC000736555288 598454885 /nfs/dbraw/zinc/45/48/85/598454885.db2.gz MBCRRWUSEUCEER-YPKPFQOOSA-N 1 0 390.491 2.990 20 0 GFADRO CC(C)CNC(=O)c1cccc(C[N@H+](C)Cc2cccc(-c3nn[nH]n3)c2)c1 ZINC000735839397 598459907 /nfs/dbraw/zinc/45/99/07/598459907.db2.gz SLDKDZKDMRLTOY-UHFFFAOYSA-N 1 0 378.480 2.885 20 0 GFADRO COc1ccc(C[NH2+]C2CCN(c3ccc(-c4nn[nH]n4)cn3)CC2)c(Cl)c1 ZINC000737091915 598466752 /nfs/dbraw/zinc/46/67/52/598466752.db2.gz HGUGGGMQATWBTM-UHFFFAOYSA-N 1 0 399.886 2.682 20 0 GFADRO C[C@H](CNC(=O)N(Cc1ccc(-c2nn[nH]n2)cc1)C1CC1)[N@@H+]1CCCC[C@@H]1C ZINC000736269906 598478282 /nfs/dbraw/zinc/47/82/82/598478282.db2.gz ZDLPTHMUUHWMOV-JKSUJKDBSA-N 1 0 397.527 2.804 20 0 GFADRO O=C(N[C@H](C[NH+]1CCCCC1)c1ccccc1)c1cccc(-c2nn[nH]n2)c1 ZINC000737997400 598496334 /nfs/dbraw/zinc/49/63/34/598496334.db2.gz VDMWAFRBFYFHDT-LJQANCHMSA-N 1 0 376.464 2.824 20 0 GFADRO O=C(Cc1ccc(-c2nn[nH]n2)cc1)N[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000737964828 598496370 /nfs/dbraw/zinc/49/63/70/598496370.db2.gz ZGZWBRAILGPVTB-HXUWFJFHSA-N 1 0 390.491 2.753 20 0 GFADRO C[NH+](C)[C@H]1CCCN(C(=O)c2ccccc2-c2ccccc2-c2nn[nH]n2)C1 ZINC000736756819 598510824 /nfs/dbraw/zinc/51/08/24/598510824.db2.gz MNFFZMCLLNIRKT-HNNXBMFYSA-N 1 0 376.464 2.700 20 0 GFADRO CC(C)Cc1ccc([C@H](C)[NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)cc1 ZINC000735848829 598518172 /nfs/dbraw/zinc/51/81/72/598518172.db2.gz AKYNOSNGYBJFRQ-GOEBONIOSA-N 1 0 380.500 2.654 20 0 GFADRO C[C@H](CC[NH+](C)C)NCc1cccc(OCc2ccccc2-c2nn[nH]n2)c1 ZINC000735986055 598561604 /nfs/dbraw/zinc/56/16/04/598561604.db2.gz KNKCAJLQZZQEFW-MRXNPFEDSA-N 1 0 380.496 2.876 20 0 GFADRO CN1CCC[C@H]([NH2+]Cc2cccc(OCc3ccccc3-c3nn[nH]n3)c2)C1 ZINC000736858487 598561990 /nfs/dbraw/zinc/56/19/90/598561990.db2.gz SDLXROSFVLCKRQ-SFHVURJKSA-N 1 0 378.480 2.630 20 0 GFADRO O[C@@H]1CCC[C@H]([NH2+]Cc2cccc(OCc3ccccc3-c3nn[nH]n3)c2)C1 ZINC000738389771 598562760 /nfs/dbraw/zinc/56/27/60/598562760.db2.gz MSQFCMBSVRRKHD-ZWKOTPCHSA-N 1 0 379.464 2.839 20 0 GFADRO c1coc([C@@H](CNc2nc3ccccn3c2-c2nn[nH]n2)[NH+]2CCCCC2)c1 ZINC000738447577 598567183 /nfs/dbraw/zinc/56/71/83/598567183.db2.gz HGPVLDQIKGRPCB-CQSZACIVSA-N 1 0 378.440 2.747 20 0 GFADRO C[NH+](C)Cc1cccc(NC(=O)[C@H]2CCCN2c2ccc(-c3nn[nH]n3)cc2)c1 ZINC000736770641 598578359 /nfs/dbraw/zinc/57/83/59/598578359.db2.gz CTCFTNXZMOHXPC-LJQANCHMSA-N 1 0 391.479 2.536 20 0 GFADRO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)Nc1ccc(F)c(-c2nn[nH]n2)c1 ZINC000738036373 598625214 /nfs/dbraw/zinc/62/52/14/598625214.db2.gz BHSHWNZIDYOVCT-SFHVURJKSA-N 1 0 395.442 2.964 20 0 GFADRO CCCC[N@H+](C)CC1CCN(C(=O)Nc2ccc(F)c(-c3nn[nH]n3)c2)CC1 ZINC000736452669 598628752 /nfs/dbraw/zinc/62/87/52/598628752.db2.gz HHMJVOWMBDZKBP-UHFFFAOYSA-N 1 0 389.479 2.982 20 0 GFADRO Cc1cc(N2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)nc(C2CC2)n1 ZINC000737272573 598632048 /nfs/dbraw/zinc/63/20/48/598632048.db2.gz SWLAAESESGWNPH-UHFFFAOYSA-N 1 0 390.495 2.555 20 0 GFADRO C[NH+](C)CCCOc1cccc(NC(=O)C=Cc2ccccc2-c2nn[nH]n2)c1 ZINC000736766594 598669461 /nfs/dbraw/zinc/66/94/61/598669461.db2.gz DISSCJXKRWJGEY-VAWYXSNFSA-N 1 0 392.463 2.849 20 0 GFADRO CN(C(=O)OC(C)(C)C)[C@@H]1CCC[N@H+](Cc2ccc(F)cc2-c2nn[nH]n2)C1 ZINC000736750164 598683629 /nfs/dbraw/zinc/68/36/29/598683629.db2.gz UNSWCWZAGWTSNG-OAHLLOKOSA-N 1 0 390.463 2.837 20 0 GFADRO COC(=O)[C@@H](C)C[N@H+](Cc1ccccc1)Cc1ccc(F)cc1-c1nn[nH]n1 ZINC000736891631 598684265 /nfs/dbraw/zinc/68/42/65/598684265.db2.gz JQMMPOZAUJOVGC-AWEZNQCLSA-N 1 0 383.427 2.817 20 0 GFADRO C[C@H](CNC(=O)N[C@H](C)c1ccc(-c2nn[nH]n2)cc1)[N@H+](C)Cc1ccccc1 ZINC000736118924 598714937 /nfs/dbraw/zinc/71/49/37/598714937.db2.gz PZCSSHPKDMLZJG-HZPDHXFCSA-N 1 0 393.495 2.747 20 0 GFADRO COc1cccc([C@H](C)[NH+]2CCN(c3nc(C)cc(C)c3-c3nn[nH]n3)CC2)c1 ZINC000737121089 598757249 /nfs/dbraw/zinc/75/72/49/598757249.db2.gz LTYALLDGAFVSLA-INIZCTEOSA-N 1 0 393.495 2.770 20 0 GFADRO C[N@@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)Nc1cc(-c2nn[nH]n2)cn1C(C)(C)C ZINC000736859350 598757619 /nfs/dbraw/zinc/75/76/19/598757619.db2.gz FYYWLNXVBJIATG-HUUCEWRRSA-N 1 0 386.504 2.514 20 0 GFADRO Cc1csc([C@@H]2CCC[N@H+](CCC(=O)Nc3ccccc3-c3nn[nH]n3)C2)n1 ZINC000737455033 598760973 /nfs/dbraw/zinc/76/09/73/598760973.db2.gz LYXQNXDRMNSJRW-CQSZACIVSA-N 1 0 397.508 2.840 20 0 GFADRO COc1ccc(OC)c(C[NH+]2CCC(Oc3ccc(-c4nn[nH]n4)cc3)CC2)c1 ZINC000737109221 598766761 /nfs/dbraw/zinc/76/67/61/598766761.db2.gz GHOKJWATTVKZNF-UHFFFAOYSA-N 1 0 395.463 2.927 20 0 GFADRO CCCC[N@H+](C)CCNc1c(-c2nn[nH]n2)cnc2c(F)ccc(Cl)c21 ZINC000736453548 598772673 /nfs/dbraw/zinc/77/26/73/598772673.db2.gz QIVRTPLVMYIOSG-UHFFFAOYSA-N 1 0 377.855 2.773 20 0 GFADRO CC(C)[C@](C)(O)C[NH2+]Cc1cccc(OCc2ccccc2-c2nn[nH]n2)c1 ZINC000735691904 598776602 /nfs/dbraw/zinc/77/66/02/598776602.db2.gz GBWPUWCGFFXTKL-OAQYLSRUSA-N 1 0 381.480 2.942 20 0 GFADRO CC[NH+]1CCN(c2ccc(CNc3ccc(Cl)cc3-c3nn[nH]n3)cn2)CC1 ZINC000736569673 598793099 /nfs/dbraw/zinc/79/30/99/598793099.db2.gz SJABXDRCUWPPNI-UHFFFAOYSA-N 1 0 398.902 2.669 20 0 GFADRO C[N@@H+]1CC[C@H](CNC(=O)c2ccccc2Sc2ccccc2-c2nn[nH]n2)C1 ZINC000736849662 598814356 /nfs/dbraw/zinc/81/43/56/598814356.db2.gz VJWIMMCBVZQBMA-CQSZACIVSA-N 1 0 394.504 2.699 20 0 GFADRO C[C@@H]1CN(C(=O)c2cccc(Oc3ccc(-c4nn[nH]n4)cc3)c2)C[C@H]1[NH+](C)C ZINC000736292623 599296341 /nfs/dbraw/zinc/29/63/41/599296341.db2.gz PORVZUSAUBUMFT-AUUYWEPGSA-N 1 0 392.463 2.681 20 0 GFADRO COc1ccc(F)cc1CN1CC[NH+]([C@@H](C)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000737100295 599308566 /nfs/dbraw/zinc/30/85/66/599308566.db2.gz WAILNSPVGYQWNY-HNNXBMFYSA-N 1 0 396.470 2.893 20 0 GFADRO C[C@@H](c1ccc(-c2nn[nH]n2)cc1)[N@@H+]1CCCN(C(=O)c2ccccc2F)CC1 ZINC000736199126 599310210 /nfs/dbraw/zinc/31/02/10/599310210.db2.gz VSEDXHYVVGJNAE-HNNXBMFYSA-N 1 0 394.454 2.915 20 0 GFADRO C[C@@H](c1ccc(-c2nn[nH]n2)cc1)[NH+]1CCC(NC(=O)c2ccsc2)CC1 ZINC000736199142 599312161 /nfs/dbraw/zinc/31/21/61/599312161.db2.gz VVLLWKWYFLUQRD-ZDUSSCGKSA-N 1 0 382.493 2.884 20 0 GFADRO Cc1oc(NC(=O)C[NH2+][C@H](c2ncccc2C)C(C)C)c(-c2nn[nH]n2)c1C ZINC000737436478 599355750 /nfs/dbraw/zinc/35/57/50/599355750.db2.gz TVCJTYQLIOQZQK-INIZCTEOSA-N 1 0 383.456 2.705 20 0 GFADRO CC[C@@H](C(=O)Nc1ncc(Cc2ccc(-c3nn[nH]n3)cc2)s1)[NH+](CC)CC ZINC000736312535 599371469 /nfs/dbraw/zinc/37/14/69/599371469.db2.gz HUSYCOVPNIMOJA-INIZCTEOSA-N 1 0 399.524 2.973 20 0 GFADRO C[NH+](C)CCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)c1cc2occc2s1 ZINC000736767383 599372868 /nfs/dbraw/zinc/37/28/68/599372868.db2.gz PEMOARYNMUTILP-UHFFFAOYSA-N 1 0 396.476 2.878 20 0 GFADRO COc1ccc(OC)c(NC(=O)[C@H](C)[NH2+][C@H](C)c2cccc(-c3nn[nH]n3)c2)c1 ZINC000821843013 599389007 /nfs/dbraw/zinc/38/90/07/599389007.db2.gz XQROLCKCGMCFBT-OLZOCXBDSA-N 1 0 396.451 2.562 20 0 GFADRO COc1ccc(COCCC[NH2+]Cc2ccc(OC)c(-c3nn[nH]n3)c2)cc1 ZINC000821823701 599426141 /nfs/dbraw/zinc/42/61/41/599426141.db2.gz AQUKQUYUAKOJDO-UHFFFAOYSA-N 1 0 383.452 2.580 20 0 GFADRO COc1cccc(N2CCC[C@@H]([NH2+]Cc3ccc(OC)c(-c4nn[nH]n4)c3)C2)c1 ZINC000821871867 599442701 /nfs/dbraw/zinc/44/27/01/599442701.db2.gz HISCOIZALNKWDI-MRXNPFEDSA-N 1 0 394.479 2.643 20 0 GFADRO C[C@@H]([NH2+]Cc1cccc(OCc2cccc(-c3nn[nH]n3)c2)c1)[C@H]1CCOC1 ZINC000820438424 599448992 /nfs/dbraw/zinc/44/89/92/599448992.db2.gz PGJPLBOJCQVWBL-BEFAXECRSA-N 1 0 379.464 2.960 20 0 GFADRO Cc1cccc(N2CC[NH+](CCCNc3ccc(F)cc3-c3nn[nH]n3)CC2)c1 ZINC000822309182 599471856 /nfs/dbraw/zinc/47/18/56/599471856.db2.gz OYGFIESHVXHFAA-UHFFFAOYSA-N 1 0 395.486 2.938 20 0 GFADRO C[C@@H](C(=O)N(CC[NH+](C)C)Cc1ccc(-c2nn[nH]n2)cc1)c1cccs1 ZINC000735511170 599541163 /nfs/dbraw/zinc/54/11/63/599541163.db2.gz DYVJHZPUXXMAMX-CQSZACIVSA-N 1 0 384.509 2.622 20 0 GFADRO C[N@H+](CCc1ccc(F)cc1)Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)o1 ZINC000821605227 599567136 /nfs/dbraw/zinc/56/71/36/599567136.db2.gz ZZSSBXBDLXEMPC-UHFFFAOYSA-N 1 0 379.399 2.730 20 0 GFADRO c1ccc(C[C@H]2CC[N@@H+](Cc3nnc(-c4cccc(-c5nn[nH]n5)c4)o3)C2)cc1 ZINC000823779390 599579551 /nfs/dbraw/zinc/57/95/51/599579551.db2.gz BUXHNDDIOUWVHM-MRXNPFEDSA-N 1 0 387.447 2.981 20 0 GFADRO C[NH+](C)C1(CNc2cc(-c3nn[nH]n3)c3ccccc3n2)Cc2ccccc2C1 ZINC000821581963 599581835 /nfs/dbraw/zinc/58/18/35/599581835.db2.gz ZCWUPGQUTFTACD-UHFFFAOYSA-N 1 0 385.475 2.926 20 0 GFADRO C[C@@H]1CCN(CCOc2cccc(-c3nn[nH]n3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000820722134 599591645 /nfs/dbraw/zinc/59/16/45/599591645.db2.gz FZKBXJQAAPUESS-GOSISDBHSA-N 1 0 392.507 2.842 20 0 GFADRO O[C@H](C[C@@H]1CCC[N@@H+]1CCOc1ccccc1-c1nn[nH]n1)c1ccccc1 ZINC000823673310 599593303 /nfs/dbraw/zinc/59/33/03/599593303.db2.gz KOBSHTICISPTDY-PKOBYXMFSA-N 1 0 379.464 2.834 20 0 GFADRO C[NH+](C)CCN(CC1CCCCC1)C(=O)NCc1cccc(-c2nn[nH]n2)c1 ZINC000736766622 599611297 /nfs/dbraw/zinc/61/12/97/599611297.db2.gz FJDBAVXYSFLDNY-UHFFFAOYSA-N 1 0 385.516 2.520 20 0 GFADRO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@@H+](C)[C@@H](C)C2CC2)c1-c1nn[nH]n1 ZINC000822015297 599690711 /nfs/dbraw/zinc/69/07/11/599690711.db2.gz GZLFZXPYPUHJRD-HNNXBMFYSA-N 1 0 393.495 2.943 20 0 GFADRO Cc1c(F)cccc1NC(=O)N(CC[NH+](C)C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000822035361 599693635 /nfs/dbraw/zinc/69/36/35/599693635.db2.gz TYJWMBNWCLGBST-UHFFFAOYSA-N 1 0 397.458 2.910 20 0 GFADRO O=C([O-])C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000650506566 599711238 /nfs/dbraw/zinc/71/12/38/599711238.db2.gz QNEUNJYQMVTKKT-SFHVURJKSA-N 1 0 391.537 2.503 20 0 GFADRO CC(C)Oc1ccc(NC(=O)NCCC[NH+]2CCCCC2)cc1-c1nn[nH]n1 ZINC000820168820 607432953 /nfs/dbraw/zinc/43/29/53/607432953.db2.gz BHRDUFYQGLPJIB-UHFFFAOYSA-N 1 0 387.488 2.651 20 0 GFADRO C[NH+](C)CCNC(=O)c1cccc(C[NH2+][C@H](C(=O)[O-])c2cccc(Cl)c2)c1 ZINC000737367543 600433312 /nfs/dbraw/zinc/43/33/12/600433312.db2.gz NBAYHKJXKDDLRW-SFHVURJKSA-N 1 0 389.883 2.547 20 0 GFADRO COc1ccc(-c2nn[nH]n2)cc1C[N@H+](CCO)[C@@H]1CCCc2ccccc21 ZINC000826181555 607464861 /nfs/dbraw/zinc/46/48/61/607464861.db2.gz DFSCDBGYSZTWKM-LJQANCHMSA-N 1 0 379.464 2.747 20 0 GFADRO CC[C@@H](O)C[N@H+](CCCOc1cccc(-c2nn[nH]n2)c1)Cc1ccccc1 ZINC000825153469 607473504 /nfs/dbraw/zinc/47/35/04/607473504.db2.gz HRLMWNBMEOTLIS-LJQANCHMSA-N 1 0 381.480 2.909 20 0 GFADRO CC(C)(C)OC(=O)N1CC[C@H]([N@H+](Cc2cccc(-c3nn[nH]n3)c2)C2CC2)C1 ZINC000824103480 607473792 /nfs/dbraw/zinc/47/37/92/607473792.db2.gz BTLFTPCMSSSARN-KRWDZBQOSA-N 1 0 384.484 2.841 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000829765136 601013802 /nfs/dbraw/zinc/01/38/02/601013802.db2.gz JSGSOWBSBFIVRO-OAHLLOKOSA-N 1 0 396.919 2.918 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(F)c(NC(=O)[O-])c1 ZINC000829764890 601037537 /nfs/dbraw/zinc/03/75/37/601037537.db2.gz AXCBIYWAZRTEPS-OAHLLOKOSA-N 1 0 395.479 2.795 20 0 GFADRO CCN(Cc1ccnc(-c2nn[nH]n2)c1)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000825439714 607492917 /nfs/dbraw/zinc/49/29/17/607492917.db2.gz LTEUXQJJQOBYBI-APWZRJJASA-N 1 0 377.496 2.919 20 0 GFADRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N[C@H](C)c2cccc(-c3nn[nH]n3)c2)C1 ZINC000820093302 607498259 /nfs/dbraw/zinc/49/82/59/607498259.db2.gz VRBKAWRVDRSSTN-CVEARBPZSA-N 1 0 385.516 2.595 20 0 GFADRO COc1ccc(C[N@H+](C)Cc2cc(Br)cn2C)cc1-c1nn[nH]n1 ZINC000826193218 607515405 /nfs/dbraw/zinc/51/54/05/607515405.db2.gz VJDIEJGXSJBUKN-UHFFFAOYSA-N 1 0 391.273 2.608 20 0 GFADRO COc1ccc(C[N@H+](CCO)[C@H]2CCCc3ccccc32)cc1-c1nn[nH]n1 ZINC000826194053 607521928 /nfs/dbraw/zinc/52/19/28/607521928.db2.gz YVWSTPVQVVOURJ-IBGZPJMESA-N 1 0 379.464 2.747 20 0 GFADRO COc1ccc(CN(C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1-c1nn[nH]n1 ZINC000826192623 607523901 /nfs/dbraw/zinc/52/39/01/607523901.db2.gz UNPKIGQBKYJZQX-SFHVURJKSA-N 1 0 378.480 2.582 20 0 GFADRO Fc1cc(-c2nn[nH]n2)ccc1C[NH2+]CCOc1ncccc1C(F)(F)F ZINC000826371701 607570381 /nfs/dbraw/zinc/57/03/81/607570381.db2.gz QIXPWPSQBBQJOE-UHFFFAOYSA-N 1 0 382.321 2.588 20 0 GFADRO COc1ccc(-c2nn[nH]n2)cc1C[N@@H+]1CC[C@@H](COCc2ccccc2)C1 ZINC000826182231 607635641 /nfs/dbraw/zinc/63/56/41/607635641.db2.gz DZEGZYSDBZBWON-QGZVFWFLSA-N 1 0 379.464 2.914 20 0 GFADRO COc1ccc(-c2nn[nH]n2)cc1C[N@H+](C)[C@H]1CCCN(c2ccccc2)C1 ZINC000826181763 607636738 /nfs/dbraw/zinc/63/67/38/607636738.db2.gz MYUXXTMOUQZQIN-IBGZPJMESA-N 1 0 378.480 2.976 20 0 GFADRO Cc1cc(-c2nn[nH]n2)ccc1C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000826249071 607652079 /nfs/dbraw/zinc/65/20/79/607652079.db2.gz KKADGPQVIIHGPX-UHFFFAOYSA-N 1 0 376.464 2.701 20 0 GFADRO O=C([O-])CCC[NH+]1CCC([NH2+][C@@H]2CCN(c3ccc(Cl)c(F)c3)C2)CC1 ZINC000833774156 605228758 /nfs/dbraw/zinc/22/87/58/605228758.db2.gz YRSNBVSSXHTPAV-OAHLLOKOSA-N 1 0 383.895 2.977 20 0 GFADRO O=C([O-])N1CCOC[C@@H]1[C@H]1CCC[C@H]1[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000834121678 605829034 /nfs/dbraw/zinc/82/90/34/605829034.db2.gz ZDSVQMRTWUCPMH-XUVXKRRUSA-N 1 0 379.545 2.921 20 0 GFADRO O=C([O-])NC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000834224357 605915475 /nfs/dbraw/zinc/91/54/75/605915475.db2.gz YEWOTKWHWSVIBA-SXLOBPIMSA-N 1 0 375.513 2.559 20 0 GFADRO CN(C(=O)c1cccc(-c2nn[nH]n2)c1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000821574548 606033851 /nfs/dbraw/zinc/03/38/51/606033851.db2.gz LIEPBTUTYIVHLX-LJQANCHMSA-N 1 0 376.464 2.603 20 0 GFADRO O=C(CC[NH2+]C1(c2nccs2)CCCC1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000822969620 606094442 /nfs/dbraw/zinc/09/44/42/606094442.db2.gz UFEVVGFIHRBXCK-UHFFFAOYSA-N 1 0 383.481 2.711 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)Nc1cccc(-c2nn[nH]n2)c1)c1ccc(Cl)cc1 ZINC000821579699 606115173 /nfs/dbraw/zinc/11/51/73/606115173.db2.gz KXHGHRVCBNKUIR-MRXNPFEDSA-N 1 0 385.859 2.945 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)Nc1cc(-c2nn[nH]n2)ccc1OC(C)C ZINC000821253112 606120257 /nfs/dbraw/zinc/12/02/57/606120257.db2.gz CTUPZEBESOEJKM-HNNXBMFYSA-N 1 0 387.488 2.602 20 0 GFADRO CC[NH+](CC)Cc1cccc(NCc2cnc3ccc(-c4nn[nH]n4)cn23)c1 ZINC000821198817 606132768 /nfs/dbraw/zinc/13/27/68/606132768.db2.gz WMOOCOHSEMGFCG-UHFFFAOYSA-N 1 0 376.468 2.968 20 0 GFADRO CC[NH+](CC)CCO[C@@H]1CCN(c2c(-c3nn[nH]n3)cnc3c(C)cccc32)C1 ZINC000821189933 606140722 /nfs/dbraw/zinc/14/07/22/606140722.db2.gz VZWKSWODQHJRCW-MRXNPFEDSA-N 1 0 395.511 2.660 20 0 GFADRO CC(C)OCC[NH+]1CCC(Nc2cc(-c3nn[nH]n3)nc3ccccc32)CC1 ZINC000820145947 606163958 /nfs/dbraw/zinc/16/39/58/606163958.db2.gz GVNUMFNXLHSRNR-UHFFFAOYSA-N 1 0 381.484 2.716 20 0 GFADRO CC(C)(C)[C@@H]1CCCC[C@H]1[NH2+]CCS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000819907289 606186340 /nfs/dbraw/zinc/18/63/40/606186340.db2.gz MUNYULCSRMXFIO-IAGOWNOFSA-N 1 0 391.541 2.835 20 0 GFADRO CC(C)[N@H+](CCS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)C1CCCCC1 ZINC000820116048 606187471 /nfs/dbraw/zinc/18/74/71/606187471.db2.gz FCGHPCFDTIWCKU-UHFFFAOYSA-N 1 0 377.514 2.684 20 0 GFADRO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1c(C)oc(-n2cccc2)c1-c1nn[nH]n1 ZINC000821189104 606196727 /nfs/dbraw/zinc/19/67/27/606196727.db2.gz HVRPNLBXVJBNSV-CQSZACIVSA-N 1 0 399.499 2.799 20 0 GFADRO CN(CC[N@@H+]1CCCN(c2ccccc2-c2nn[nH]n2)CC1)c1ccccc1 ZINC000821601312 606200576 /nfs/dbraw/zinc/20/05/76/606200576.db2.gz ANQZUKQNCVUGRF-UHFFFAOYSA-N 1 0 377.496 2.515 20 0 GFADRO COc1ccc(Cl)cc1NC(=O)CC[NH2+]Cc1cc(-c2nn[nH]n2)cs1 ZINC000821828072 606225198 /nfs/dbraw/zinc/22/51/98/606225198.db2.gz PIUPQYCCDLUAJX-UHFFFAOYSA-N 1 0 392.872 2.709 20 0 GFADRO CC[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)N[C@H](C)c1cccc(-c2nn[nH]n2)c1 ZINC000821002279 606393552 /nfs/dbraw/zinc/39/35/52/606393552.db2.gz VLRKEVAKIGPOJI-OLMNPRSZSA-N 1 0 383.500 2.586 20 0 GFADRO Fc1ccc(F)c2c1ncc(-c1nn[nH]n1)c2NC1CC[NH+](C2CCCC2)CC1 ZINC000822775319 606403334 /nfs/dbraw/zinc/40/33/34/606403334.db2.gz VRKKACOJFJSZIF-UHFFFAOYSA-N 1 0 399.449 2.934 20 0 GFADRO c1ccc(C[NH+]2CCC(OCCCNc3ncccc3-c3nn[nH]n3)CC2)cc1 ZINC000823781016 606403475 /nfs/dbraw/zinc/40/34/75/606403475.db2.gz YPGOZTFBJJWZFT-UHFFFAOYSA-N 1 0 393.495 2.745 20 0 GFADRO COc1ccccc1[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)N1CCCC1 ZINC000821883548 606406452 /nfs/dbraw/zinc/40/64/52/606406452.db2.gz XJSOUORGUWFCIY-MRXNPFEDSA-N 1 0 384.509 2.864 20 0 GFADRO CC(C)(C)OC(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC000819933166 606412151 /nfs/dbraw/zinc/41/21/51/606412151.db2.gz IJOAVQFREPCRIW-GFCCVEGCSA-N 1 0 378.502 2.807 20 0 GFADRO COc1ccc([C@H]2[C@H](COC(=O)c3cc(-c4nn[nH]n4)cs3)CC[N@@H+]2C)cc1 ZINC000821782234 606467001 /nfs/dbraw/zinc/46/70/01/606467001.db2.gz BSRXSXSGYZHFQU-GUYCJALGSA-N 1 0 399.476 2.787 20 0 GFADRO FC(F)(F)[C@H]1CCC[C@H](C[NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)C1 ZINC000822713963 606475928 /nfs/dbraw/zinc/47/59/28/606475928.db2.gz DGJFEFUCGBICKR-AAEUAGOBSA-N 1 0 379.390 2.973 20 0 GFADRO FC(F)Oc1cc(-c2nn[nH]n2)ccc1C[N@@H+]1CCCC2(CCOCC2)C1 ZINC000822733175 606502866 /nfs/dbraw/zinc/50/28/66/606502866.db2.gz ROPOALASZCYUMY-UHFFFAOYSA-N 1 0 379.411 2.861 20 0 GFADRO CC[NH+](CC)[C@H](CNC(=O)Cc1cccc(-c2nn[nH]n2)c1)c1ccsc1 ZINC000821182750 606526388 /nfs/dbraw/zinc/52/63/88/606526388.db2.gz YMNMYQXLXOROOO-QGZVFWFLSA-N 1 0 384.509 2.670 20 0 GFADRO O=C(Nc1cccc(C[NH+]2CCSCC2)c1)c1ccc(-c2nn[nH]n2)s1 ZINC000823363585 606540293 /nfs/dbraw/zinc/54/02/93/606540293.db2.gz HJLJKVFIGIJJGV-UHFFFAOYSA-N 1 0 386.506 2.729 20 0 GFADRO O=C(NC[C@H]1CCC[N@H+](Cc2cccs2)C1)c1ccc(-c2nn[nH]n2)s1 ZINC000823175437 606541778 /nfs/dbraw/zinc/54/17/78/606541778.db2.gz IOGHQSAWAKAYHP-GFCCVEGCSA-N 1 0 388.522 2.632 20 0 GFADRO C[NH+]1CCC(Nc2ccccc2NC(=O)c2ccc(-c3nn[nH]n3)s2)CC1 ZINC000821623606 606545189 /nfs/dbraw/zinc/54/51/89/606545189.db2.gz OBUCMCXJXWUNDE-UHFFFAOYSA-N 1 0 383.481 2.687 20 0 GFADRO C[NH+](C)CCN(Cc1cccs1)C(=O)C=Cc1ccccc1-c1nn[nH]n1 ZINC000821587337 606552824 /nfs/dbraw/zinc/55/28/24/606552824.db2.gz SBNUVUUCTCFPNO-MDZDMXLPSA-N 1 0 382.493 2.532 20 0 GFADRO C[NH+](C)CCN(Cc1ccco1)C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000821586188 606695653 /nfs/dbraw/zinc/69/56/53/606695653.db2.gz NCXUVTFUCNKCSB-UHFFFAOYSA-N 1 0 389.847 2.709 20 0 GFADRO C[C@@H](C(=O)Nc1ccccc1-c1nn[nH]n1)[N@@H+]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000819877368 606713959 /nfs/dbraw/zinc/71/39/59/606713959.db2.gz UTNHQZNLLSZKBE-DZGCQCFKSA-N 1 0 380.427 2.822 20 0 GFADRO C[C@@]1(c2ccccc2)CC[N@@H+]([C@@H]2CCN(c3sccc3-c3nn[nH]n3)C2=O)C1 ZINC000820633368 606718025 /nfs/dbraw/zinc/71/80/25/606718025.db2.gz AUGYNMKZOIJWAM-OXQOHEQNSA-N 1 0 394.504 2.697 20 0 GFADRO CC[C@H]([NH2+]Cc1ccc(-c2nn[nH]n2)s1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000820926409 606742312 /nfs/dbraw/zinc/74/23/12/606742312.db2.gz SVVRXYUNGRILDC-ROUUACIJSA-N 1 0 398.536 2.697 20 0 GFADRO C[C@@H]1CN(c2c(-c3nn[nH]n3)cnc3c(F)ccc(Cl)c32)C[C@H]1[NH+](C)C ZINC000820768006 606804286 /nfs/dbraw/zinc/80/42/86/606804286.db2.gz LEEYFSISJFMTFV-NOZJJQNGSA-N 1 0 375.839 2.594 20 0 GFADRO O[C@H](C[N@@H+]1CC[C@H](OCCCc2ccccc2)C1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823675607 606909228 /nfs/dbraw/zinc/90/92/28/606909228.db2.gz YJFMKNWBCLPXTA-LEWJYISDSA-N 1 0 393.491 2.624 20 0 GFADRO O[C@H](C[C@H]1CCC[N@@H+]1CCCOc1cccc(-c2nn[nH]n2)c1)c1ccco1 ZINC000823673322 606912098 /nfs/dbraw/zinc/91/20/98/606912098.db2.gz KSNPRQIPIFIITA-SJLPKXTDSA-N 1 0 383.452 2.817 20 0 GFADRO CCO[C@@H]1C[C@H]([N@H+](C)CCOc2ccc(-c3nn[nH]n3)cc2OC)C12CCC2 ZINC000821361880 606917117 /nfs/dbraw/zinc/91/71/17/606917117.db2.gz XPIYAJYOFYAERA-ZWKOTPCHSA-N 1 0 387.484 2.534 20 0 GFADRO CCc1nnc(NC[C@H](c2ccc(C)cc2)[NH+](C)C)c(-c2nn[nH]n2)c1CC ZINC000821536363 606924552 /nfs/dbraw/zinc/92/45/52/606924552.db2.gz UGFCIFHVINAGSP-QGZVFWFLSA-N 1 0 380.500 2.805 20 0 GFADRO CC(=O)N1CC[N@H+](Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)[C@@H](C)C1 ZINC000819797071 606930747 /nfs/dbraw/zinc/93/07/47/606930747.db2.gz SAKXYUZJUWDGKZ-HNNXBMFYSA-N 1 0 376.464 2.586 20 0 GFADRO FC(F)(F)c1ccc(NC2CC[NH+](C[C@@H]3CCOC3)CC2)c(-c2nn[nH]n2)c1 ZINC000822724005 606937579 /nfs/dbraw/zinc/93/75/79/606937579.db2.gz WGXNJQUNQVHLSG-LBPRGKRZSA-N 1 0 396.417 2.798 20 0 GFADRO Fc1ccc(C[N@@H+]2CCC[C@@H](c3nnc4n3CCCCC4)C2)cc1-c1nn[nH]n1 ZINC000822772352 606963244 /nfs/dbraw/zinc/96/32/44/606963244.db2.gz VQWOODFERKMUQR-OAHLLOKOSA-N 1 0 396.474 2.703 20 0 GFADRO CC[C@@H](C(=O)Nc1ccc(OCc2cccc(-c3nn[nH]n3)c2)cc1)[NH+](C)C ZINC000820842428 607021498 /nfs/dbraw/zinc/02/14/98/607021498.db2.gz MTXGJHNJKMZFKA-SFHVURJKSA-N 1 0 380.452 2.724 20 0 GFADRO Cc1cc(C)c2ncc(-c3nn[nH]n3)c(N3CC[C@H]4[C@@H](CCC[N@H+]4C)C3)c2c1 ZINC000822195646 607030920 /nfs/dbraw/zinc/03/09/20/607030920.db2.gz ZDKOPALDKYNNPH-YJBOKZPZSA-N 1 0 377.496 2.952 20 0 GFADRO c1ccc(C[N@@H+]2CCC[C@@H]3CN(c4ncccc4-c4nn[nH]n4)CC[C@H]32)cc1 ZINC000823779337 607032303 /nfs/dbraw/zinc/03/23/03/607032303.db2.gz AOKQHKNPSVFTFQ-IEBWSBKVSA-N 1 0 375.480 2.753 20 0 GFADRO CCOc1cccc([C@@H](C)[NH2+]C2CCN(c3ccc(-c4nn[nH]n4)cn3)CC2)c1 ZINC000821426751 607047204 /nfs/dbraw/zinc/04/72/04/607047204.db2.gz IPNQQOKEHWHKSQ-OAHLLOKOSA-N 1 0 393.495 2.980 20 0 GFADRO CCN1C[C@@H](C[N@H+](C)Cc2cc(F)ccc2-c2nn[nH]n2)Oc2ccccc21 ZINC000821241917 607056154 /nfs/dbraw/zinc/05/61/54/607056154.db2.gz QKFWSHBNVLGJCQ-MRXNPFEDSA-N 1 0 382.443 2.725 20 0 GFADRO CC(C)(C)OC(=O)NC[C@](C)([NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)C1CC1 ZINC000819939487 607102550 /nfs/dbraw/zinc/10/25/50/607102550.db2.gz DGCSDQHFJBYHLH-IBGZPJMESA-N 1 0 390.463 2.789 20 0 GFADRO C[NH+](C)CCN(Cc1cccc(C(F)(F)F)c1)c1ccc(-c2nn[nH]n2)cn1 ZINC000821586290 607114809 /nfs/dbraw/zinc/11/48/09/607114809.db2.gz RJMZECRXJRIBMN-UHFFFAOYSA-N 1 0 391.401 2.849 20 0 GFADRO C[N@H+](CCOc1ccc(-c2nn[nH]n2)cc1)Cc1ccccc1N1CCCC1 ZINC000821603896 607124399 /nfs/dbraw/zinc/12/43/99/607124399.db2.gz UBUUEXFLPAVFIC-UHFFFAOYSA-N 1 0 378.480 2.978 20 0 GFADRO C[C@@H]1C[C@H](CCNC(=O)c2cccc(-c3nn[nH]n3)c2)C[N@@H+]1Cc1ccccc1 ZINC000824885095 607795675 /nfs/dbraw/zinc/79/56/75/607795675.db2.gz REDBEQTYHNSPKA-AEFFLSMTSA-N 1 0 390.491 2.897 20 0 GFADRO OC[C@@H](C1CC1)[N@H+](CCOc1cccc(-c2nn[nH]n2)c1)Cc1ccccc1 ZINC000826507659 607858515 /nfs/dbraw/zinc/85/85/15/607858515.db2.gz SXOONKBCCNLEHY-FQEVSTJZSA-N 1 0 379.464 2.519 20 0 GFADRO CCC[N@H+](Cc1cccc(C(=O)OC)c1-c1nn[nH]n1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000825323345 607923360 /nfs/dbraw/zinc/92/33/60/607923360.db2.gz UCPDHYATUGUXSC-KBAYOESNSA-N 1 0 399.495 2.679 20 0 GFADRO C[N@H+]1Cc2ccccc2[C@@H](Nc2c(-c3nn[nH]n3)cnc3c(F)ccc(F)c32)C1 ZINC000826051089 607936497 /nfs/dbraw/zinc/93/64/97/607936497.db2.gz IUCRZHIKUHSQFW-INIZCTEOSA-N 1 0 393.401 2.714 20 0 GFADRO CC[NH+](CC)[C@@H](C(=O)N1CCc2ccc(-c3nn[nH]n3)cc21)c1ccccc1 ZINC000825405443 607948618 /nfs/dbraw/zinc/94/86/18/607948618.db2.gz AXKVYEQCZSCHFW-LJQANCHMSA-N 1 0 376.464 2.839 20 0 GFADRO C[NH+](C)Cc1c2ccccc2oc1C(=O)N1CCc2ccc(-c3nn[nH]n3)cc21 ZINC000825870466 607950742 /nfs/dbraw/zinc/95/07/42/607950742.db2.gz NJRSSXVFQAMSKT-UHFFFAOYSA-N 1 0 388.431 2.877 20 0 GFADRO Cc1c(C[NH2+]Cc2cccc(OCc3ccccc3-c3nn[nH]n3)c2)cnn1C ZINC000826236366 607976493 /nfs/dbraw/zinc/97/64/93/607976493.db2.gz JCZWHHKPPZJHQT-UHFFFAOYSA-N 1 0 389.463 2.777 20 0 GFADRO c1ccc(C(c2ccccc2)[NH+]2CCN(c3ccc(-c4nn[nH]n4)nn3)CC2)cc1 ZINC000826520570 607987587 /nfs/dbraw/zinc/98/75/87/607987587.db2.gz NAPPKENUQWZJGV-UHFFFAOYSA-N 1 0 398.474 2.568 20 0 GFADRO O=C(C=Cc1ccccc1-c1nn[nH]n1)OC[C@H]1CCC[N@@H+]1Cc1ccco1 ZINC000826402539 608249246 /nfs/dbraw/zinc/24/92/46/608249246.db2.gz WNLRCMVKHXYKPU-ZNFPLGDCSA-N 1 0 379.420 2.681 20 0 GFADRO CCc1ccccc1NC(=O)C[C@@H](C)[NH2+]CCOc1ccc(-c2nn[nH]n2)cc1 ZINC000825723016 608280054 /nfs/dbraw/zinc/28/00/54/608280054.db2.gz QNNDHHSKWILPCK-OAHLLOKOSA-N 1 0 394.479 2.815 20 0 GFADRO CCc1ccccc1NC(=O)C[C@H](C)[NH2+]CCOc1ccc(-c2nn[nH]n2)cc1 ZINC000825723015 608280218 /nfs/dbraw/zinc/28/02/18/608280218.db2.gz QNNDHHSKWILPCK-HNNXBMFYSA-N 1 0 394.479 2.815 20 0 GFADRO COc1cccc(NC(=O)C[C@@H](C)[NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)c1 ZINC000826216889 608285538 /nfs/dbraw/zinc/28/55/38/608285538.db2.gz QWQZYMIVTPRCGJ-GFCCVEGCSA-N 1 0 384.415 2.521 20 0 GFADRO COc1ccc(C[NH2+][C@H](C)C[C@@H](C)NC(=O)OC(C)(C)C)cc1-c1nn[nH]n1 ZINC000826201857 608286428 /nfs/dbraw/zinc/28/64/28/608286428.db2.gz GTUJEJTWOYTITE-CHWSQXEVSA-N 1 0 390.488 2.657 20 0 GFADRO C[C@@H]1CN(C(=O)Cc2cccc(-c3nn[nH]n3)c2)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC000824970420 608310837 /nfs/dbraw/zinc/31/08/37/608310837.db2.gz XCVLUCZXSZXLTI-SJORKVTESA-N 1 0 390.491 2.531 20 0 GFADRO Cc1nn(-c2ccccc2)c(C[N@H+](CCCO)CC(C)(C)C)c1-c1nn[nH]n1 ZINC000826332369 608313353 /nfs/dbraw/zinc/31/33/53/608313353.db2.gz RNIGEIMJDDDKGJ-UHFFFAOYSA-N 1 0 383.500 2.591 20 0 GFADRO COC[C@@H]([NH2+]Cc1ccc(OC)c(-c2nn[nH]n2)c1)c1ccc(F)c(F)c1 ZINC000826150429 608314121 /nfs/dbraw/zinc/31/41/21/608314121.db2.gz DQFFPIFPWCTZFC-MRXNPFEDSA-N 1 0 375.379 2.631 20 0 GFADRO Cc1nn(-c2ccccc2)c(C[N@@H+]2CC[C@@H](C3CCOCC3)C2)c1-c1nn[nH]n1 ZINC000826332266 608318557 /nfs/dbraw/zinc/31/85/57/608318557.db2.gz OXKXXINUWXGSMY-QGZVFWFLSA-N 1 0 393.495 2.609 20 0 GFADRO O[C@@]1(Cc2cccc(Cl)c2)CC[N@H+](CCOc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000826505961 608380062 /nfs/dbraw/zinc/38/00/62/608380062.db2.gz JEIZNCKIXZPWNJ-HXUWFJFHSA-N 1 0 399.882 2.578 20 0 GFADRO CS[C@@H]1CN(c2c(-c3nn[nH]n3)cnc3c(C)cc(C)cc32)C[C@H]1[NH+](C)C ZINC000826227430 608382785 /nfs/dbraw/zinc/38/27/85/608382785.db2.gz QYTSZUFMVBVWJX-HZPDHXFCSA-N 1 0 383.525 2.514 20 0 GFADRO COCC[N@H+](CCOc1ccc(F)cc1)Cc1cccc(-c2nn[nH]n2)c1F ZINC000826158499 608394056 /nfs/dbraw/zinc/39/40/56/608394056.db2.gz RRCRWIXURQAGHX-UHFFFAOYSA-N 1 0 389.406 2.672 20 0 GFADRO CCN(C[C@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2F)C1)CC(F)(F)F ZINC000825417109 608399420 /nfs/dbraw/zinc/39/94/20/608399420.db2.gz ONSLECAAUIETEF-GFCCVEGCSA-N 1 0 386.397 2.712 20 0 GFADRO C[C@@H]([NH2+]CC(=O)NCc1ccc(-c2nn[nH]n2)cc1)c1cccc2ccccc21 ZINC000824564864 608425711 /nfs/dbraw/zinc/42/57/11/608425711.db2.gz XHMBGBJULMEANA-OAHLLOKOSA-N 1 0 386.459 2.987 20 0 GFADRO CCOc1ccccc1[C@@H](C)[NH2+]Cc1cccc(C(=O)OC)c1-c1nn[nH]n1 ZINC000825654090 608438404 /nfs/dbraw/zinc/43/84/04/608438404.db2.gz OCAATQCZOWVDGI-CYBMUJFWSA-N 1 0 381.436 2.903 20 0 GFADRO COc1cc(C)c([C@H](C)[NH2+]CCOc2cccc(-c3nn[nH]n3)c2)cc1OC ZINC000826178400 608447433 /nfs/dbraw/zinc/44/74/33/608447433.db2.gz WPFHKOHWDXMYQA-AWEZNQCLSA-N 1 0 383.452 2.922 20 0 GFADRO Cc1nccn1CCCC[NH+]1CCC(Oc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826330826 608449839 /nfs/dbraw/zinc/44/98/39/608449839.db2.gz JLILXATVVOKGPS-UHFFFAOYSA-N 1 0 381.484 2.695 20 0 GFADRO Cc1nccn1CCCC[NH+]1CCC(Oc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000826330842 608450146 /nfs/dbraw/zinc/45/01/46/608450146.db2.gz KHKHUFRSVURHKU-UHFFFAOYSA-N 1 0 381.484 2.695 20 0 GFADRO CC(C)Oc1ccccc1[C@@H](C)[NH2+]C[C@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000824334484 608452926 /nfs/dbraw/zinc/45/29/26/608452926.db2.gz VNHGLGFKBNSARG-WBVHZDCISA-N 1 0 397.479 2.744 20 0 GFADRO C[C@@H]([NH2+]CC(=O)Nc1ccc(N2CCCC2)cc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824564425 608460837 /nfs/dbraw/zinc/46/08/37/608460837.db2.gz SYPIHSPNWCQHCE-OAHLLOKOSA-N 1 0 391.479 2.756 20 0 GFADRO O[C@@H](C[N@H+]1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1)c1ccc(F)c(F)c1 ZINC000826502512 608463481 /nfs/dbraw/zinc/46/34/81/608463481.db2.gz FHGWMLNXRVHMNJ-IBGZPJMESA-N 1 0 383.402 2.968 20 0 GFADRO C[C@@H]([NH2+]CC(=O)Nc1nc(-c2ccco2)cs1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824562223 608464991 /nfs/dbraw/zinc/46/49/91/608464991.db2.gz CZGAYGBZBOIENG-LLVKDONJSA-N 1 0 395.448 2.873 20 0 GFADRO O[C@H](COc1ccccc1F)C[N@H+]1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826505353 608468476 /nfs/dbraw/zinc/46/84/76/608468476.db2.gz TXMFTEQHFZQUSG-SFHVURJKSA-N 1 0 395.438 2.535 20 0 GFADRO COc1ccc([C@@H](C)[NH2+]CCC(=O)Nc2ccc(-c3nn[nH]n3)cc2)cc1OC ZINC000826187665 608472411 /nfs/dbraw/zinc/47/24/11/608472411.db2.gz AVYOVGPZLJVBSY-CYBMUJFWSA-N 1 0 396.451 2.563 20 0 GFADRO C[C@H]([NH2+]Cc1ccc(S(=O)(=O)C(F)F)cc1)c1cccc(-c2nn[nH]n2)c1 ZINC000824617895 608483864 /nfs/dbraw/zinc/48/38/64/608483864.db2.gz LEOQKQRTBIRTTR-NSHDSACASA-N 1 0 393.419 2.714 20 0 GFADRO CC(C)[NH+](CCNC(=O)N1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1)C(C)C ZINC000824288254 608489501 /nfs/dbraw/zinc/48/95/01/608489501.db2.gz BGYQFOZYWXJVIV-UHFFFAOYSA-N 1 0 397.527 2.784 20 0 GFADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)N1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000825122080 608493144 /nfs/dbraw/zinc/49/31/44/608493144.db2.gz WWFWWDJYTJUOCF-IBGZPJMESA-N 1 0 395.511 2.540 20 0 GFADRO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1ccc(OC(C)C)c(-c2nn[nH]n2)c1 ZINC000825219149 608494784 /nfs/dbraw/zinc/49/47/84/608494784.db2.gz HTWUANXRWMCVCT-HOTGVXAUSA-N 1 0 399.499 2.744 20 0 GFADRO Cc1cccc(C)c1OC[C@H](O)C[NH2+][C@@H]1CCCc2cc(-c3nn[nH]n3)ccc21 ZINC000826296791 608504273 /nfs/dbraw/zinc/50/42/73/608504273.db2.gz JDTBAAJKKZTKAL-UYAOXDASSA-N 1 0 393.491 2.890 20 0 GFADRO CCN(Cc1ccccc1)C(=O)C[NH2+][C@@H]1CCCc2cc(-c3nn[nH]n3)ccc21 ZINC000825439545 608505412 /nfs/dbraw/zinc/50/54/12/608505412.db2.gz FAPRTLNSRLOXQW-HXUWFJFHSA-N 1 0 390.491 2.882 20 0 GFADRO c1cc2c(cc1-c1nn[nH]n1)CCC[C@@H]2[NH2+]CCCc1nnc2n1CCCCC2 ZINC000826518270 608508310 /nfs/dbraw/zinc/50/83/10/608508310.db2.gz IDIBBYJJAWUTIX-SFHVURJKSA-N 1 0 392.511 2.784 20 0 GFADRO c1cc(-c2nn[nH]n2)sc1C[N@@H+]1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000826514824 608511637 /nfs/dbraw/zinc/51/16/37/608511637.db2.gz DTOCVJVOAIIGSK-ZDUSSCGKSA-N 1 0 384.513 2.626 20 0 GFADRO c1cc(CN2CC[NH+](C3CC3)CC2)cc(OCc2cccc(-c3nn[nH]n3)c2)c1 ZINC000826515970 608517414 /nfs/dbraw/zinc/51/74/14/608517414.db2.gz RWUNOLZUIBDJGM-UHFFFAOYSA-N 1 0 390.491 2.726 20 0 GFADRO O=C(NCCC[NH2+][C@H]1CCCc2cc(-c3nn[nH]n3)ccc21)c1cccs1 ZINC000826436626 608522076 /nfs/dbraw/zinc/52/20/76/608522076.db2.gz BELJPOKXYSOCSY-INIZCTEOSA-N 1 0 382.493 2.715 20 0 GFADRO O=C(C[NH2+]C1(c2cccc(-c3nn[nH]n3)c2)CC1)NC1(c2ccccc2)CCC1 ZINC000826412238 608530028 /nfs/dbraw/zinc/53/00/28/608530028.db2.gz HMFCARNYCIBIKO-UHFFFAOYSA-N 1 0 388.475 2.641 20 0 GFADRO C[C@H](NC(=O)C[NH2+]C1(c2cccc(-c3nn[nH]n3)c2)CC1)c1ccccc1Cl ZINC000824477658 608533195 /nfs/dbraw/zinc/53/31/95/608533195.db2.gz BRVLLOXZCBBPTM-ZDUSSCGKSA-N 1 0 396.882 2.976 20 0 GFADRO O=C(C[NH2+][C@H](c1ccccc1)C1CCOCC1)Nc1cccc(-c2nn[nH]n2)c1 ZINC000826412679 608535742 /nfs/dbraw/zinc/53/57/42/608535742.db2.gz YHNSERDBOIKHQE-HXUWFJFHSA-N 1 0 392.463 2.563 20 0 GFADRO C[C@H]([NH2+]CCOc1ccccc1-c1nn[nH]n1)c1ccc(-n2cccn2)cc1 ZINC000824598927 608550280 /nfs/dbraw/zinc/55/02/80/608550280.db2.gz JRBSAZYJQZMEFX-HNNXBMFYSA-N 1 0 375.436 2.782 20 0 GFADRO C[C@H]([NH2+]C[C@H](O)c1ccc(-c2nn[nH]n2)cc1)c1cccc(N2CCCC2)c1 ZINC000824569647 608554470 /nfs/dbraw/zinc/55/44/70/608554470.db2.gz JJVRLUBKNWARAR-YWZLYKJASA-N 1 0 378.480 2.851 20 0 GFADRO COCC[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)C[C@H]1CCOc2ccccc21 ZINC000826159103 608567756 /nfs/dbraw/zinc/56/77/56/608567756.db2.gz QSXQFFVNBHCUGD-GOSISDBHSA-N 1 0 379.464 2.881 20 0 GFADRO CN1C(=O)C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)[C@H]1c1ccc(Cl)cc1 ZINC000826010230 608568862 /nfs/dbraw/zinc/56/88/62/608568862.db2.gz FAEWDICKEIANDO-SJLPKXTDSA-N 1 0 382.855 2.582 20 0 GFADRO C[C@H]1C[N@H+](C)[C@@H](C)CN1C(=O)c1cccc(Oc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000824974708 608597115 /nfs/dbraw/zinc/59/71/15/608597115.db2.gz DHLOLGFIBNFXPM-GJZGRUSLSA-N 1 0 392.463 2.824 20 0 GFADRO O=C(CC[N@@H+]1CCCN(c2ccccc2-c2nn[nH]n2)CC1)c1ccc(F)cc1 ZINC000826407615 608649535 /nfs/dbraw/zinc/64/95/35/608649535.db2.gz UUHKONLBNCZJEU-UHFFFAOYSA-N 1 0 394.454 2.791 20 0 GFADRO CCCCCCNC(=O)[C@@H]1CCC[N@H+](Cc2cc(-c3nn[nH]n3)cs2)C1 ZINC000825272275 608656418 /nfs/dbraw/zinc/65/64/18/608656418.db2.gz ZNOHIGUBMBEOOW-CQSZACIVSA-N 1 0 376.530 2.837 20 0 GFADRO CN(C(=O)OC(C)(C)C)[C@@H]1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC000825825481 608659968 /nfs/dbraw/zinc/65/99/68/608659968.db2.gz DUAYKNLMBWTZLU-GFCCVEGCSA-N 1 0 378.502 2.760 20 0 GFADRO CCc1csc([C@@H]2CCC[N@H+](Cc3cnc4ccc(-c5nn[nH]n5)cn34)C2)n1 ZINC000825739543 608663235 /nfs/dbraw/zinc/66/32/35/608663235.db2.gz FNCSQZSLWKZFIH-CQSZACIVSA-N 1 0 394.508 2.913 20 0 GFADRO c1cc(CN2CC[N@@H+]3CCC[C@H]3C2)cc(OCc2cccc(-c3nn[nH]n3)c2)c1 ZINC000826515579 608693086 /nfs/dbraw/zinc/69/30/86/608693086.db2.gz CYEZEPTXRWLDRU-FQEVSTJZSA-N 1 0 390.491 2.726 20 0 GFADRO C[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)s2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000824983544 608700903 /nfs/dbraw/zinc/70/09/03/608700903.db2.gz BLLZMJVVDAZMEU-DGCLKSJQSA-N 1 0 378.502 2.663 20 0 GFADRO C[C@@H]1C[N@H+](Cc2cc(-c3nn[nH]n3)cs2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000824983471 608701383 /nfs/dbraw/zinc/70/13/83/608701383.db2.gz AELJXSMRJCCGSM-BXUZGUMPSA-N 1 0 378.502 2.663 20 0 GFADRO C[C@@H]1Cc2cc(F)ccc2[C@@H](C)[N@@H+]1C[C@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000825012794 608806731 /nfs/dbraw/zinc/80/67/31/608806731.db2.gz LRDZAFQBWXPSJK-LBTNJELSSA-N 1 0 397.454 2.753 20 0 GFADRO C[C@@H]1Cc2cc(F)ccc2[C@H](C)[N@@H+]1C[C@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000825012792 608806909 /nfs/dbraw/zinc/80/69/09/608806909.db2.gz LRDZAFQBWXPSJK-GLJUWKHASA-N 1 0 397.454 2.753 20 0 GFADRO O[C@]1(Cc2cccc(Cl)c2)CC[N@H+](Cc2cc(-c3nn[nH]n3)cs2)C1 ZINC000826505779 608858903 /nfs/dbraw/zinc/85/89/03/608858903.db2.gz FIXUODOAQNFLEK-KRWDZBQOSA-N 1 0 375.885 2.761 20 0 GFADRO C[C@H]([NH2+]C1CCN(Cc2ccncc2)CC1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824553289 609132846 /nfs/dbraw/zinc/13/28/46/609132846.db2.gz BBRIUTJUXAPZET-AWEZNQCLSA-N 1 0 381.459 2.716 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCCN(Cc2ccccc2)C1=O)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824547131 609154507 /nfs/dbraw/zinc/15/45/07/609154507.db2.gz MSXRUDGUFIGFGU-IFXJQAMLSA-N 1 0 394.454 2.848 20 0 GFADRO C[C@H]([NH2+][C@H]1CCCN(c2ccccc2F)C1=O)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824548753 609154550 /nfs/dbraw/zinc/15/45/50/609154550.db2.gz ZHGCFZKFNFEBIB-SJCJKPOMSA-N 1 0 398.417 2.991 20 0 GFADRO C[C@@H](Nc1ccc(CC[NH+]2CCOCC2)cc1)c1cccc(-c2nn[nH]n2)c1 ZINC000824656133 609180149 /nfs/dbraw/zinc/18/01/49/609180149.db2.gz IAJOUYVNXVCZIV-MRXNPFEDSA-N 1 0 378.480 2.915 20 0 GFADRO Cc1cc(N2CCC[C@H]([NH2+][C@@H](C)c3cccc(-c4nn[nH]n4)c3)C2)nc(C)n1 ZINC000826269123 609232847 /nfs/dbraw/zinc/23/28/47/609232847.db2.gz AVTJKYRIIYVLIE-KSSFIOAISA-N 1 0 378.484 2.593 20 0 GFADRO C[C@@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)cn1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824655887 609251670 /nfs/dbraw/zinc/25/16/70/609251670.db2.gz GRDRTCIGWJWUPJ-KDOFPFPSSA-N 1 0 378.484 2.575 20 0 GFADRO C[C@@H](OC(=O)c1cccc(-c2nn[nH]n2)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000824723362 609263848 /nfs/dbraw/zinc/26/38/48/609263848.db2.gz QMBWESWUFJUWOI-BEFAXECRSA-N 1 0 377.448 2.934 20 0 GFADRO c1cc(-c2nn[nH]n2)ccc1C[NH+]1CCC(Nc2ccc3c(c2)OCCO3)CC1 ZINC000826514001 609275863 /nfs/dbraw/zinc/27/58/63/609275863.db2.gz CRIOCCSYFQEVOZ-UHFFFAOYSA-N 1 0 392.463 2.714 20 0 GFADRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1ccc(Cl)c(-c2nn[nH]n2)c1 ZINC000824874459 609289900 /nfs/dbraw/zinc/28/99/00/609289900.db2.gz CYDPIEBDGJJHSH-UPJWGTAASA-N 1 0 376.892 2.616 20 0 GFADRO C[C@@H](NC(=O)N(C)Cc1ccc(-c2nn[nH]n2)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000824488671 609317325 /nfs/dbraw/zinc/31/73/25/609317325.db2.gz HDIHOFVRLIELEK-CRAIPNDOSA-N 1 0 397.527 2.661 20 0 GFADRO C[C@H](NC(=O)c1ccc(Cl)c(-c2nn[nH]n2)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000824521273 609317853 /nfs/dbraw/zinc/31/78/53/609317853.db2.gz JLEVDLPCQWVOCF-JSGCOSHPSA-N 1 0 388.903 2.903 20 0 GFADRO C[C@H]([NH2+]Cc1cccc(N2CCOC2=O)c1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824618654 609329146 /nfs/dbraw/zinc/32/91/46/609329146.db2.gz QPATURDAOXVDOT-LBPRGKRZSA-N 1 0 382.399 2.813 20 0 GFADRO C[C@@H]([NH2+]CCNC(=O)c1ccccc1Cl)c1ccc(-c2nn[nH]n2)cc1F ZINC000824598811 609335810 /nfs/dbraw/zinc/33/58/10/609335810.db2.gz JKDWZTLNUMLWDI-LLVKDONJSA-N 1 0 388.834 2.740 20 0 GFADRO C[C@H]([NH2+]CCNC(=O)c1ccccc1Cl)c1ccc(-c2nn[nH]n2)cc1F ZINC000824598812 609335981 /nfs/dbraw/zinc/33/59/81/609335981.db2.gz JKDWZTLNUMLWDI-NSHDSACASA-N 1 0 388.834 2.740 20 0 GFADRO C[C@H]([NH2+][C@@H](CNC(=O)OC(C)(C)C)C1CC1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824532532 609336659 /nfs/dbraw/zinc/33/66/59/609336659.db2.gz VQIZTRMSCACURL-ZBEGNZNMSA-N 1 0 390.463 2.960 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCN(c2ncccc2Cl)C1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824554302 609339430 /nfs/dbraw/zinc/33/94/30/609339430.db2.gz OJRHXPYQPRDDLS-WCQYABFASA-N 1 0 387.850 2.984 20 0 GFADRO CC(=O)Nc1cccc(OCC[NH2+][C@H](C)c2ccc(-c3nn[nH]n3)cc2F)c1 ZINC000824005292 609340653 /nfs/dbraw/zinc/34/06/53/609340653.db2.gz MYUTWGCYOSSAPH-GFCCVEGCSA-N 1 0 384.415 2.694 20 0 GFADRO Cn1cc(C[NH2+][C@@H]2CCO[C@H](C(C)(C)C)C2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826361341 609343577 /nfs/dbraw/zinc/34/35/77/609343577.db2.gz UDGARZQAECBXBE-MSOLQXFVSA-N 1 0 395.511 2.951 20 0 GFADRO Brc1cc(-c2nn[nH]n2)ccc1CN1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000823821515 609361014 /nfs/dbraw/zinc/36/10/14/609361014.db2.gz VTYATGKUXYNRBH-OAHLLOKOSA-N 1 0 391.317 2.689 20 0 GFADRO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccc(-c2nn[nH]n2)cc1Br ZINC000825218189 609366216 /nfs/dbraw/zinc/36/62/16/609366216.db2.gz CFRDGSWDFWTVQL-HUUCEWRRSA-N 1 0 391.317 2.688 20 0 GFADRO COc1cc(C)c(C[NH2+]CCSCc2ccccc2-c2nn[nH]n2)c(C)n1 ZINC000826178433 609381155 /nfs/dbraw/zinc/38/11/55/609381155.db2.gz XWILSZQXGCFTSF-UHFFFAOYSA-N 1 0 384.509 2.910 20 0 GFADRO O[C@@H]1CC[N@H+](Cc2ccccc2CNc2c(Cl)cccc2-c2nn[nH]n2)C1 ZINC000826506827 609388778 /nfs/dbraw/zinc/38/87/78/609388778.db2.gz CBWOKCLPYGOWKR-OAHLLOKOSA-N 1 0 384.871 2.699 20 0 GFADRO COc1cccc([C@H](C)[NH2+][C@@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)c1 ZINC000826214478 609412783 /nfs/dbraw/zinc/41/27/83/609412783.db2.gz MWICMSVURHBQPY-IFXJQAMLSA-N 1 0 392.463 2.722 20 0 GFADRO Cc1cc(C[NH2+][C@@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)ccc1F ZINC000826267273 609413338 /nfs/dbraw/zinc/41/33/38/609413338.db2.gz YJGYVHVFZIFXPS-GOSISDBHSA-N 1 0 380.427 2.599 20 0 GFADRO O=C1[C@@H]([NH2+][C@H]2CCc3ccccc3C2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476297 609413620 /nfs/dbraw/zinc/41/36/20/609413620.db2.gz FARAUPGHTUBHBS-ICSRJNTNSA-N 1 0 388.475 2.509 20 0 GFADRO O=C1[C@H]([NH2+][C@@H]2CCc3cc(F)ccc32)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476861 609415448 /nfs/dbraw/zinc/41/54/48/609415448.db2.gz QPDKWPLITBLMJS-RTBURBONSA-N 1 0 392.438 2.778 20 0 GFADRO O=C1[C@@H]([NH2+]Cc2cc3ccccc3[nH]2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476751 609415779 /nfs/dbraw/zinc/41/57/79/609415779.db2.gz OIIODFBFJFTHHO-IBGZPJMESA-N 1 0 387.447 2.633 20 0 GFADRO C[C@@H]([NH2+][C@@H](C)C(=O)NC1CC1)c1ccc(-c2cccc(-c3nn[nH]n3)c2)cc1 ZINC000824532679 609449713 /nfs/dbraw/zinc/44/97/13/609449713.db2.gz WJWWLJWIOPETJK-KGLIPLIRSA-N 1 0 376.464 2.851 20 0 GFADRO Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)n1C[N@@H+](C)C[C@@H](C)c1nccs1 ZINC000826334754 609503285 /nfs/dbraw/zinc/50/32/85/609503285.db2.gz IIIHBHKCPVPCCA-GFCCVEGCSA-N 1 0 395.496 2.583 20 0 GFADRO Cc1ccc(C)c(C[NH2+][C@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)c1 ZINC000826285149 609601407 /nfs/dbraw/zinc/60/14/07/609601407.db2.gz QULRMVAJYAFOMH-IBGZPJMESA-N 1 0 376.464 2.769 20 0 GFADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)Nc3cc4ccc(Br)cn4n3)[C@@H]2C1 ZINC000482143983 650661011 /nfs/dbraw/zinc/66/10/11/650661011.db2.gz UFIRJCLQOPRQNG-BXUZGUMPSA-N 1 0 378.274 2.655 20 0 GFADRO Cc1cc(NC(=O)NC[C@@H]2COCC[NH2+]2)nn1-c1ccc(Cl)cc1Cl ZINC000528686709 650697810 /nfs/dbraw/zinc/69/78/10/650697810.db2.gz MDTTUJCWWCFTQE-GFCCVEGCSA-N 1 0 384.267 2.597 20 0 GFADRO CC(C)Cc1ncnc(NC[C@@H](C)C[NH+](C)C)c1I ZINC000488999085 650753372 /nfs/dbraw/zinc/75/33/72/650753372.db2.gz YTMZWBCWKXIJTA-LLVKDONJSA-N 1 0 376.286 2.889 20 0 GFADRO Ic1cnc(NCCC[N@@H+]2CCc3ccccc3C2)nc1 ZINC000545207962 650965217 /nfs/dbraw/zinc/96/52/17/650965217.db2.gz LNSGBUZSXFBLMI-UHFFFAOYSA-N 1 0 394.260 2.942 20 0 GFADRO C[NH+](C)CC[C@@H](NC(=O)c1cccc(S(=O)(=O)C(F)F)c1)C(C)(C)C ZINC000817433720 660195306 /nfs/dbraw/zinc/19/53/06/660195306.db2.gz VAJCOMBFPMZNBP-CQSZACIVSA-N 1 0 376.469 2.779 20 0 GFADRO CC[NH+]1CCC(N2CCCN(C(=O)C[C@@]3(C)CC3(Cl)Cl)CC2)CC1 ZINC000817656563 660204693 /nfs/dbraw/zinc/20/46/93/660204693.db2.gz KQEVLNJDLYHYFZ-KRWDZBQOSA-N 1 0 376.372 2.979 20 0 GFADRO O=C1N[C@]2(CC[N@H+](Cc3ccccc3)C2)C(=O)N1CC[C@H]1CC1(Cl)Cl ZINC000818082558 660215845 /nfs/dbraw/zinc/21/58/45/660215845.db2.gz NDZJLSKPTWWAOO-YOEHRIQHSA-N 1 0 382.291 2.767 20 0 GFADRO Cn1ccnc1[C@@](O)(CC[NH2+]C[C@@H](O)c1cccc(Cl)c1)C(F)(F)F ZINC000818969343 660239260 /nfs/dbraw/zinc/23/92/60/660239260.db2.gz DBZZITQYANWAEG-HIFRSBDPSA-N 1 0 377.794 2.537 20 0 GFADRO O=C1[C@@H]([NH2+]C[C@H](O)c2ccccc2Br)CCN1Cc1ccccc1 ZINC000818984054 660241333 /nfs/dbraw/zinc/24/13/33/660241333.db2.gz VHUJHHMWUXFDLZ-ROUUACIJSA-N 1 0 389.293 2.873 20 0 GFADRO O=C1[C@@H]([NH2+]C[C@@H](O)c2cccc(Br)c2)CCN1Cc1ccccc1 ZINC000818983655 660241335 /nfs/dbraw/zinc/24/13/35/660241335.db2.gz LZHJEUBUKMIOTL-ZWKOTPCHSA-N 1 0 389.293 2.873 20 0 GFADRO CC(C)(C)NC(=O)CC[NH2+]C[C@@](C)(O)c1ccc(Br)cc1F ZINC000819013042 660243308 /nfs/dbraw/zinc/24/33/08/660243308.db2.gz NLGRCXRBJWEUTN-MRXNPFEDSA-N 1 0 375.282 2.690 20 0 GFADRO CC(C)(C)S(=O)(=O)CC[NH2+]C[C@@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000819060965 660244983 /nfs/dbraw/zinc/24/49/83/660244983.db2.gz MUUAPISGAJRQPG-LLVKDONJSA-N 1 0 384.325 2.536 20 0 GFADRO CNC(=O)c1cccc(CC[NH2+]C[C@H](O)c2ccccc2Br)c1 ZINC000819096135 660246341 /nfs/dbraw/zinc/24/63/41/660246341.db2.gz XCABDGSTUWGFKP-KRWDZBQOSA-N 1 0 377.282 2.674 20 0 GFADRO C[C@@H](C[NH2+]C[C@H](O)COc1ccc(Br)cc1)CC1(C)OCCO1 ZINC000819095479 660246406 /nfs/dbraw/zinc/24/64/06/660246406.db2.gz GKJFHJGTNXRHAY-HIFRSBDPSA-N 1 0 388.302 2.568 20 0 GFADRO CC(C)(C)N1C[C@H]([NH2+]C[C@](C)(O)c2ccc(Br)cc2F)CC1=O ZINC000819125073 660247300 /nfs/dbraw/zinc/24/73/00/660247300.db2.gz BOXJDIOKMCOUPE-PXAZEXFGSA-N 1 0 387.293 2.785 20 0 GFADRO CC(C)(C)N1C[C@H]([NH2+]C[C@@](C)(O)c2ccc(Br)cc2F)CC1=O ZINC000819125076 660247444 /nfs/dbraw/zinc/24/74/44/660247444.db2.gz BOXJDIOKMCOUPE-SJKOYZFVSA-N 1 0 387.293 2.785 20 0 GFADRO C[C@](O)(C[NH2+]CCCO[C@H]1CCOC1)c1ccc(Br)cc1F ZINC000819150894 660248182 /nfs/dbraw/zinc/24/81/82/660248182.db2.gz SZOQCTWMAYCWDU-BBRMVZONSA-N 1 0 376.266 2.581 20 0 GFADRO CCc1n[nH]c(=O)c(C[NH2+]C[C@@H](O)c2cccc(Br)c2)c1CC ZINC000819162244 660248365 /nfs/dbraw/zinc/24/83/65/660248365.db2.gz GHOKLJVXONAQTH-MRXNPFEDSA-N 1 0 380.286 2.893 20 0 GFADRO Cc1ncc(CC[NH2+]C[C@H](O)COc2cc(F)cc(Br)c2)s1 ZINC000819178731 660249052 /nfs/dbraw/zinc/24/90/52/660249052.db2.gz DIHLGKRINJPFFW-ZDUSSCGKSA-N 1 0 389.290 2.925 20 0 GFADRO O=C1[C@@H]([NH2+]C[C@H](O)c2cccc(Br)c2)CCCN1c1cccnc1 ZINC000819224320 660250723 /nfs/dbraw/zinc/25/07/23/660250723.db2.gz BSNHVRNLEXOASM-IRXDYDNUSA-N 1 0 390.281 2.663 20 0 GFADRO CC(=O)Nc1ccc(C[NH2+]C[C@](C)(O)c2ccc(Br)cc2F)cn1 ZINC000819271440 660253113 /nfs/dbraw/zinc/25/31/13/660253113.db2.gz BLTSLZAIFZMZJL-KRWDZBQOSA-N 1 0 396.260 2.939 20 0 GFADRO O=S1(=O)C[C@H](C[NH2+]C[C@H](O)c2ccc(Br)cc2)c2ccccc21 ZINC000819337306 660255524 /nfs/dbraw/zinc/25/55/24/660255524.db2.gz MVKAMAGHEWXLBE-BBRMVZONSA-N 1 0 396.306 2.643 20 0 GFADRO O=S1(=O)CCC(O)(C[NH2+]CCCCCCOc2ccc(Cl)cc2)CC1 ZINC000819236311 660251462 /nfs/dbraw/zinc/25/14/62/660251462.db2.gz GJAFXEARFYLECJ-UHFFFAOYSA-N 1 0 389.945 2.809 20 0 GFADRO COc1ncc(C(=O)N2CCCC3(CC[NH+](C)CC3)C2)cc1Br ZINC000819520943 660261362 /nfs/dbraw/zinc/26/13/62/660261362.db2.gz BSHLDLVNQWACRI-UHFFFAOYSA-N 1 0 382.302 2.801 20 0 GFADRO C[N@@H+]1C[C@@H]2CCCN(S(=O)(=O)c3cc4ccc(Cl)nc4cc3F)[C@@H]2C1 ZINC000819911747 660274436 /nfs/dbraw/zinc/27/44/36/660274436.db2.gz MIXOPIOFIKLCRN-SWLSCSKDSA-N 1 0 383.876 2.742 20 0 GFADRO C[N@@H+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)CSc1nc2ccccc2s1 ZINC000820459510 660294277 /nfs/dbraw/zinc/29/42/77/660294277.db2.gz UFRVQBDCCLJNCI-CABCVRRESA-N 1 0 377.535 2.710 20 0 GFADRO C[NH+]1CCC(OCC(=O)NCCC(=O)Nc2cc(Cl)cc(Cl)c2)CC1 ZINC000820716396 660303521 /nfs/dbraw/zinc/30/35/21/660303521.db2.gz WKUPQIOBEILIDR-UHFFFAOYSA-N 1 0 388.295 2.549 20 0 GFADRO C[C@H]1CCC[N@H+](CCNS(=O)(=O)c2cnc(Cl)c(Br)c2)C1 ZINC000820785852 660305806 /nfs/dbraw/zinc/30/58/06/660305806.db2.gz LYISQFVQMTUOFH-JTQLQIEISA-N 1 0 396.738 2.508 20 0 GFADRO C[N@H+](CCCO)C1CCN(Cc2nc(Cl)ccc2Br)CC1 ZINC000820859795 660308673 /nfs/dbraw/zinc/30/86/73/660308673.db2.gz BTSICTZMNCPUTL-UHFFFAOYSA-N 1 0 376.726 2.776 20 0 GFADRO CCn1ncc(C(=O)N2C[C@@H](C[NH+](C)C)Oc3ccccc32)c1Br ZINC000820896466 660309605 /nfs/dbraw/zinc/30/96/05/660309605.db2.gz PLEGNBWAEUMVEO-GFCCVEGCSA-N 1 0 393.285 2.635 20 0 GFADRO CC(C)(C)[NH2+]CCC(=O)NC[C@H](CO)Cc1cc(Br)ccc1F ZINC000821827251 660334906 /nfs/dbraw/zinc/33/49/06/660334906.db2.gz UVQGMFKMVXSPFI-GFCCVEGCSA-N 1 0 389.309 2.634 20 0 GFADRO CC(C)(C[NH+]1CCCC1)NC(=O)C[C@@H]1C(=O)Nc2c1cccc2Br ZINC000822135922 660340751 /nfs/dbraw/zinc/34/07/51/660340751.db2.gz PQKWBKSOKSBKCW-ZDUSSCGKSA-N 1 0 394.313 2.866 20 0 GFADRO CCN1CCN(C(=O)CC2CC[NH+](CC[C@@H]3CC3(Cl)Cl)CC2)CC1 ZINC000822617517 660349944 /nfs/dbraw/zinc/34/99/44/660349944.db2.gz UKERNTUXZLBGFL-MRXNPFEDSA-N 1 0 376.372 2.837 20 0 GFADRO O=C([C@@H](O)c1ccc(Cl)c(Cl)c1)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000822836703 660355579 /nfs/dbraw/zinc/35/55/79/660355579.db2.gz KEWZWMYSUPKHCG-PBHICJAKSA-N 1 0 387.307 2.740 20 0 GFADRO COCC1(c2nc(CCc3ccccc3Br)no2)CC[NH2+]CC1 ZINC000822972508 660359160 /nfs/dbraw/zinc/35/91/60/660359160.db2.gz LQCDYKHZEBRABX-UHFFFAOYSA-N 1 0 380.286 2.885 20 0 GFADRO CN(C)c1nc(Cl)c(C(=O)NCc2cccc(OCC[NH+](C)C)c2)s1 ZINC000823046356 660360648 /nfs/dbraw/zinc/36/06/48/660360648.db2.gz XMSPBIGELMIIFN-UHFFFAOYSA-N 1 0 382.917 2.733 20 0 GFADRO Brc1ccccc1-c1noc(-c2cn([C@H]3CCC[NH2+]C3)nn2)n1 ZINC000823006485 660359706 /nfs/dbraw/zinc/35/97/06/660359706.db2.gz KHBRGAIMBXXWGM-JTQLQIEISA-N 1 0 375.230 2.682 20 0 GFADRO CC(C)(C)OC(=O)N1CCC([C@@H](O)C[N@@H+]2CCC=C(Br)C2)CC1 ZINC000823021241 660360023 /nfs/dbraw/zinc/36/00/23/660360023.db2.gz UDMVAOZZZWWXHV-HNNXBMFYSA-N 1 0 389.334 2.979 20 0 GFADRO Cc1ccc(NC(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)nc1Br ZINC000823283134 660367351 /nfs/dbraw/zinc/36/73/51/660367351.db2.gz MYDHTNRGXOZXSV-ZDUSSCGKSA-N 1 0 385.306 2.727 20 0 GFADRO CC[N@H+](C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1)[C@H](C)CS(C)(=O)=O ZINC000823452527 660372478 /nfs/dbraw/zinc/37/24/78/660372478.db2.gz BITZAVCZSFXGOD-ARFHVFGLSA-N 1 0 376.563 2.777 20 0 GFADRO CC(C)[C@@H](CNC(=O)OC(C)(C)C)C[NH2+]CCC1CCS(=O)(=O)CC1 ZINC000824037255 660384503 /nfs/dbraw/zinc/38/45/03/660384503.db2.gz HLJLQBAYEKJBAW-MRXNPFEDSA-N 1 0 376.563 2.588 20 0 GFADRO CC[N@@H+]1CCC[C@@H](CNC(=O)[C@]2(C)CC2(Br)Br)C1 ZINC000824638794 660398497 /nfs/dbraw/zinc/39/84/97/660398497.db2.gz CBEXQGSYXVVOJU-JQWIXIFHSA-N 1 0 382.140 2.731 20 0 GFADRO C[C@H](CCNC(=O)c1cc(Br)cnc1Br)[NH+](C)C ZINC000824958224 660406338 /nfs/dbraw/zinc/40/63/38/660406338.db2.gz SVEKNRBBGXPXIX-MRVPVSSYSA-N 1 0 379.096 2.677 20 0 GFADRO O=S(=O)(CC[NH2+][C@@H]1CCc2c1cccc2Br)C1CCOCC1 ZINC000824903353 660404684 /nfs/dbraw/zinc/40/46/84/660404684.db2.gz FICJTFBYNGPMMN-MRXNPFEDSA-N 1 0 388.327 2.620 20 0 GFADRO CCn1nc(C)c(C[NH2+]C[C@@H](CO)Cc2cccc(Br)c2C)n1 ZINC000825133902 660412593 /nfs/dbraw/zinc/41/25/93/660412593.db2.gz PKXYCPXXWVOJSL-AWEZNQCLSA-N 1 0 381.318 2.618 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)c1c(Br)nc2n1CCC2)C1CCCCC1 ZINC000825035668 660408185 /nfs/dbraw/zinc/40/81/85/660408185.db2.gz OANMQJBDPNYJKU-ZDUSSCGKSA-N 1 0 383.334 2.832 20 0 GFADRO COCC1(C[NH2+]Cc2c(C)nn([C@@H]3CCS(=O)(=O)C3)c2Cl)CCCC1 ZINC000825245513 660417274 /nfs/dbraw/zinc/41/72/74/660417274.db2.gz KRNLZRSXZRVAAT-CQSZACIVSA-N 1 0 389.949 2.501 20 0 GFADRO Cc1ccc(CN(CC[NH+](C)C)C(=O)c2c(Br)nc3n2CCC3)o1 ZINC000825477050 660429338 /nfs/dbraw/zinc/42/93/38/660429338.db2.gz IEMXJQLVWIMUBK-UHFFFAOYSA-N 1 0 395.301 2.697 20 0 GFADRO CC[NH+](CC)CC1CCN(C(=O)c2c(Br)nc3n2CCC3)CC1 ZINC000825504222 660430639 /nfs/dbraw/zinc/43/06/39/660430639.db2.gz UCAMVPKZZGVHLX-UHFFFAOYSA-N 1 0 383.334 2.786 20 0 GFADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1c(Cl)cc(F)cc1Br ZINC000825517633 660431747 /nfs/dbraw/zinc/43/17/47/660431747.db2.gz XPDKUGHADHHJNA-GHMZBOCLSA-N 1 0 391.668 2.835 20 0 GFADRO CN(C)c1nc(Cl)c(C(=O)NC2CC[NH+](Cc3cccnc3)CC2)s1 ZINC000825845470 660443671 /nfs/dbraw/zinc/44/36/71/660443671.db2.gz VOUAGHRVVOOBFU-UHFFFAOYSA-N 1 0 379.917 2.652 20 0 GFADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2sc(N(C)C)nc2Cl)[C@H](C)C1 ZINC000825874227 660444601 /nfs/dbraw/zinc/44/46/01/660444601.db2.gz WIDGVXPCEDTIEN-OLZOCXBDSA-N 1 0 388.965 2.729 20 0 GFADRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)c1cc(Br)n(C)n1 ZINC000826032905 660448086 /nfs/dbraw/zinc/44/80/86/660448086.db2.gz NTMZXKGYPGNVMX-CQSZACIVSA-N 1 0 391.313 2.919 20 0 GFADRO CC(C)(C)OC(=O)c1ccc(C[NH2+]CCS(=O)(=O)CC(F)(F)F)cc1 ZINC000827047420 660476917 /nfs/dbraw/zinc/47/69/17/660476917.db2.gz FQDFAQFCXCBEMC-UHFFFAOYSA-N 1 0 381.416 2.709 20 0 GFADRO CC(C)(C)OC(=O)N1CC2(C1)C[C@@H]([NH2+]Cc1ccc(Br)o1)CO2 ZINC000827060393 660477151 /nfs/dbraw/zinc/47/71/51/660477151.db2.gz GUZWWLIQCWPUSV-LLVKDONJSA-N 1 0 387.274 2.910 20 0 GFADRO CC(C)(C)OC(=O)N1CC2(C1)C[C@H]([NH2+]Cc1ccc(Br)cn1)CO2 ZINC000827065238 660477194 /nfs/dbraw/zinc/47/71/94/660477194.db2.gz IZHCLDKQEOLFJF-AWEZNQCLSA-N 1 0 398.301 2.712 20 0 GFADRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@]1(C)CC1(Br)Br ZINC000827210639 660484551 /nfs/dbraw/zinc/48/45/51/660484551.db2.gz PVAYVEKJIHSZTJ-PWSUYJOCSA-N 1 0 382.140 2.873 20 0 GFADRO C[N@@H+]1CC[C@H]2CN(C(=O)c3cnn(-c4cccc(Br)c4)c3)CC[C@H]21 ZINC000827318675 660489066 /nfs/dbraw/zinc/48/90/66/660489066.db2.gz IBHVYINGAJWGJD-SUMWQHHRSA-N 1 0 389.297 2.801 20 0 GFADRO Cc1c(I)cccc1C(=O)N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000827302300 660488479 /nfs/dbraw/zinc/48/84/79/660488479.db2.gz UXORLCMNUGANLX-DOMZBBRYSA-N 1 0 384.261 2.766 20 0 GFADRO Cc1cc(Br)cc(C(=O)N2CCC([NH+]3CCN(C)CC3)CC2)c1 ZINC000827445742 660496047 /nfs/dbraw/zinc/49/60/47/660496047.db2.gz XUMSYXMBEKFUTC-UHFFFAOYSA-N 1 0 380.330 2.610 20 0 GFADRO CC(C)[C@@H](C(=O)N1CC[C@@]2(C)[C@@H](C1)C2(Br)Br)[NH+](C)C ZINC000855322580 661984221 /nfs/dbraw/zinc/98/42/21/661984221.db2.gz NERHXPCABVMUIH-MDZLAQPJSA-N 1 0 396.167 2.927 20 0 GFADRO CC(C)c1ncc(Br)c(C(=O)N2C[C@@]3(C)C[NH+](C)C[C@]3(C)C2)n1 ZINC000827598492 660504063 /nfs/dbraw/zinc/50/40/63/660504063.db2.gz RELPZHGUQHYPNG-IAGOWNOFSA-N 1 0 381.318 2.776 20 0 GFADRO CC[NH+](CC)C[C@@H]1CCN(C(=O)c2csc(I)n2)C1 ZINC000829161839 660584284 /nfs/dbraw/zinc/58/42/84/660584284.db2.gz PGVGWVUNLBEYMX-JTQLQIEISA-N 1 0 393.294 2.552 20 0 GFADRO CN(CC[NH+]1CC2(C1)CCOCC2)C(=O)CCc1cccc(Br)c1 ZINC000829292389 660587862 /nfs/dbraw/zinc/58/78/62/660587862.db2.gz JOXHKRZXKCJKDW-UHFFFAOYSA-N 1 0 395.341 2.953 20 0 GFADRO C[C@H](CNC(=O)c1cc(Br)ncc1Br)C[NH+](C)C ZINC000868514185 662607678 /nfs/dbraw/zinc/60/76/78/662607678.db2.gz VJNUKDIARDZOKO-MRVPVSSYSA-N 1 0 379.096 2.534 20 0 GFADRO C[NH+](C)Cc1ccnc(NC(=O)[C@@]2(C)CC2(Br)Br)c1 ZINC000829671064 660606181 /nfs/dbraw/zinc/60/61/81/660606181.db2.gz SVVLRSYOAGMERA-GFCCVEGCSA-N 1 0 391.107 2.978 20 0 GFADRO C[NH+](C)Cc1ccnc(NC(=O)[C@]2(C)CC2(Br)Br)c1 ZINC000829671065 660606198 /nfs/dbraw/zinc/60/61/98/660606198.db2.gz SVVLRSYOAGMERA-LBPRGKRZSA-N 1 0 391.107 2.978 20 0 GFADRO CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)CC[C@@H]2CC2(Cl)Cl)CC1 ZINC000829796376 660614497 /nfs/dbraw/zinc/61/44/97/660614497.db2.gz ZJPQBLMVARCNAX-CQSZACIVSA-N 1 0 392.371 2.703 20 0 GFADRO O=S(=O)(NCCC[NH+]1CCCCC1)c1cnc(Cl)c(Br)c1 ZINC000829797213 660614565 /nfs/dbraw/zinc/61/45/65/660614565.db2.gz AJGFMLYPLPVRKG-UHFFFAOYSA-N 1 0 396.738 2.652 20 0 GFADRO Cc1ncc2c(n1)CCC[C@@H]2NC(=O)[C@](C)([NH3+])c1ccc(Br)cc1 ZINC000829805843 660614821 /nfs/dbraw/zinc/61/48/21/660614821.db2.gz WGSXHJQQZLRRNL-FUHWJXTLSA-N 1 0 389.297 2.915 20 0 GFADRO Cc1cc(NC(=O)NCCOCCC[NH3+])nn1-c1ccc(Cl)cc1Cl ZINC000625875870 652374214 /nfs/dbraw/zinc/37/42/14/652374214.db2.gz NTYAPEPGPUIIEU-UHFFFAOYSA-N 1 0 386.283 2.974 20 0 GFADRO C[NH+](C)CCn1nccc1NS(=O)(=O)/C=C/c1cccc(Br)c1 ZINC000829957737 660626064 /nfs/dbraw/zinc/62/60/64/660626064.db2.gz YMTQCFGSSOOXOU-YRNVUSSQSA-N 1 0 399.314 2.620 20 0 GFADRO O=C(NCCCC[N@H+]1CCC[C@@H]1CO)c1cc(Cl)nc(C(F)(F)F)c1 ZINC000830588761 660665794 /nfs/dbraw/zinc/66/57/94/660665794.db2.gz NHQUCIXVJLGSMP-GFCCVEGCSA-N 1 0 379.810 2.721 20 0 GFADRO COc1cc(Br)c(CNC(=O)NCCCCCC[NH3+])cc1OC ZINC000831123483 660697476 /nfs/dbraw/zinc/69/74/76/660697476.db2.gz TUGNWTWGIIBGGI-UHFFFAOYSA-N 1 0 388.306 2.785 20 0 GFADRO Cc1cc([C@H]([NH3+])CC(=O)N2CCN(CC(F)(F)F)[C@H](C)C2)cc(Cl)n1 ZINC000831480307 660711184 /nfs/dbraw/zinc/71/11/84/660711184.db2.gz CRLHDYGCHXZMPM-DGCLKSJQSA-N 1 0 378.826 2.528 20 0 GFADRO CS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000831722222 660722891 /nfs/dbraw/zinc/72/28/91/660722891.db2.gz VFUYHMOZCWEGBD-ZIAGYGMSSA-N 1 0 384.929 2.595 20 0 GFADRO O=C(NCc1cc(Br)ccc1Br)[C@@]1(F)CC[NH2+]C1 ZINC000831921150 660737273 /nfs/dbraw/zinc/73/72/73/660737273.db2.gz ICVXXAZZWNUGDY-GFCCVEGCSA-N 1 0 380.055 2.529 20 0 GFADRO C[N@H+](C[C@H](O)COc1ccccc1F)C[C@@H](O)c1ccccc1Br ZINC000832672023 660793710 /nfs/dbraw/zinc/79/37/10/660793710.db2.gz HPOYEGGSYVOTJS-SUMWQHHRSA-N 1 0 398.272 2.993 20 0 GFADRO CCC([NH3+])(CC)CNC(=O)Cc1csc(NC(=O)Cc2cccs2)n1 ZINC000832812064 660801656 /nfs/dbraw/zinc/80/16/56/660801656.db2.gz WOXQJGDBHDHGGY-UHFFFAOYSA-N 1 0 380.539 2.562 20 0 GFADRO COC(=O)c1sc(S(=O)(=O)NC(C)(C)C[NH+]2CCCC2)c(C)c1Cl ZINC000832751729 660798338 /nfs/dbraw/zinc/79/83/38/660798338.db2.gz WBQYTSMULNZVSX-UHFFFAOYSA-N 1 0 394.946 2.649 20 0 GFADRO O=C(NCC[NH2+]C1CC1)c1cnn(-c2ncccc2Cl)c1C(F)(F)Cl ZINC000832587520 660788898 /nfs/dbraw/zinc/78/88/98/660788898.db2.gz YTZGEUNMIUKMNW-UHFFFAOYSA-N 1 0 390.221 2.691 20 0 GFADRO CCCN(CCC[NH+](C)C)C(=O)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000832826866 660802383 /nfs/dbraw/zinc/80/23/83/660802383.db2.gz AZWCCRONEUUPEG-UHFFFAOYSA-N 1 0 380.432 2.784 20 0 GFADRO C[C@@H](C[NH3+])CNC(=O)c1cnn(-c2ncccc2Cl)c1C(F)(F)Cl ZINC000834340831 660814997 /nfs/dbraw/zinc/81/49/97/660814997.db2.gz GCTGTKSEEORDOM-QMMMGPOBSA-N 1 0 378.210 2.533 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CN(C(=O)COc2ccc(C3SCCCS3)cc2)CCO1 ZINC000834323260 660814342 /nfs/dbraw/zinc/81/43/42/660814342.db2.gz XZOUBBQEKJEPTD-CZUORRHYSA-N 1 0 382.551 2.509 20 0 GFADRO [NH3+]CCCN(CC1CCCC1)C(=O)CN1C(=S)N=NC1c1cccs1 ZINC000834765247 660832640 /nfs/dbraw/zinc/83/26/40/660832640.db2.gz RZDUDYNSFJDESQ-UHFFFAOYSA-N 1 0 379.555 2.663 20 0 GFADRO CC1([NH+]2CCC2)CCC(NC(=O)c2c(Br)nc3n2CCC3)CC1 ZINC000834776271 660832872 /nfs/dbraw/zinc/83/28/72/660832872.db2.gz UVALCCZIAYTUGU-UHFFFAOYSA-N 1 0 381.318 2.729 20 0 GFADRO C[C@H]([NH2+]CCS(=O)(=O)C1CCOCC1)c1cccc(Br)c1 ZINC000834885927 660836871 /nfs/dbraw/zinc/83/68/71/660836871.db2.gz GPYGLILVIDKIKA-LBPRGKRZSA-N 1 0 376.316 2.694 20 0 GFADRO C[C@@H]([NH2+]CCS(=O)(=O)C1CCOCC1)c1ccc(OC(F)(F)F)cc1 ZINC000834886831 660837177 /nfs/dbraw/zinc/83/71/77/660837177.db2.gz OBVWWYHCVQNYJS-GFCCVEGCSA-N 1 0 381.416 2.830 20 0 GFADRO Cc1ncc(Br)cc1NC(=O)C(=O)NCCCCCCC[NH+](C)C ZINC000835085733 660840364 /nfs/dbraw/zinc/84/03/64/660840364.db2.gz ZWGMGQRFBCXIPE-UHFFFAOYSA-N 1 0 399.333 2.719 20 0 GFADRO C[NH+](C)CCc1ccccc1NC(=O)C(=O)NCC[C@@]1(C)CC1(Cl)Cl ZINC000835850538 660879604 /nfs/dbraw/zinc/87/96/04/660879604.db2.gz DBMBLUSYTLQVSK-KRWDZBQOSA-N 1 0 386.323 2.819 20 0 GFADRO C[C@@H]1CCC[N@H+](CCNC(=O)NC[C@H](O)c2ccccc2Br)C1 ZINC000836236941 660896776 /nfs/dbraw/zinc/89/67/76/660896776.db2.gz WYHUEJUMWVKEDV-CJNGLKHVSA-N 1 0 384.318 2.514 20 0 GFADRO CCC[N@@H+]1CC[C@@H](CNC(=O)N(C)C[C@@H](O)c2ccccc2Br)C1 ZINC000836325458 660899711 /nfs/dbraw/zinc/89/97/11/660899711.db2.gz BTGYPGKJYMYXFL-WMLDXEAASA-N 1 0 398.345 2.856 20 0 GFADRO C[C@H](CNC(=O)NC[C@H](O)c1ccccc1Br)C[NH+]1CCCC1 ZINC000836344430 660900499 /nfs/dbraw/zinc/90/04/99/660900499.db2.gz WKRHXTXUFLFROC-CJNGLKHVSA-N 1 0 384.318 2.514 20 0 GFADRO CCCC[N@H+](C)C[C@H](C)NC(=O)NC[C@H](O)c1ccccc1Br ZINC000836461398 660907640 /nfs/dbraw/zinc/90/76/40/660907640.db2.gz DKPDWXLHZSQJGH-BBRMVZONSA-N 1 0 386.334 2.902 20 0 GFADRO Cc1cc(Br)nc(NC(=O)NCC2([NH+]3CCCC3)CCOCC2)c1 ZINC000836760993 660939773 /nfs/dbraw/zinc/93/97/73/660939773.db2.gz XDTFHTXRSFWODQ-UHFFFAOYSA-N 1 0 397.317 2.919 20 0 GFADRO CC[C@@H]([NH2+]CC(=O)Nc1ccc(S(N)(=O)=O)cc1)c1ccc(Cl)cc1 ZINC000024253173 654543109 /nfs/dbraw/zinc/54/31/09/654543109.db2.gz JDLNANMQQXBTNS-MRXNPFEDSA-N 1 0 381.885 2.667 20 0 GFADRO CC[NH+]1CCC(NC(=O)CSc2ncnc3sc4c(c32)CCC4)CC1 ZINC000027120698 654562487 /nfs/dbraw/zinc/56/24/87/654562487.db2.gz IDTGKNUYYZYIAR-UHFFFAOYSA-N 1 0 376.551 2.873 20 0 GFADRO C[C@H]([N@H+](C)CC(=O)NCC(=O)Nc1ccccc1Br)C(C)(C)C ZINC000027135382 654562854 /nfs/dbraw/zinc/56/28/54/654562854.db2.gz FASICVQTUOAXDY-LBPRGKRZSA-N 1 0 384.318 2.870 20 0 GFADRO O=S1(=O)CC[C@H](C[NH2+]Cc2cc(Br)ccc2OC(F)F)C1 ZINC000037982611 654616305 /nfs/dbraw/zinc/61/63/05/654616305.db2.gz AYAUAWMKEJNFRV-SECBINFHSA-N 1 0 384.242 2.575 20 0 GFADRO CSc1nc2ccc(NC(=O)C(=O)NCC[NH+]3CCCCC3)cc2s1 ZINC000041134906 654622976 /nfs/dbraw/zinc/62/29/76/654622976.db2.gz BAIPOLUIQNTFAL-UHFFFAOYSA-N 1 0 378.523 2.559 20 0 GFADRO O=C(NCC[NH+]1CCCC1)c1cc(Cl)ccc1I ZINC000042848784 654645907 /nfs/dbraw/zinc/64/59/07/654645907.db2.gz UNGIBPDKODLIAS-UHFFFAOYSA-N 1 0 378.641 2.770 20 0 GFADRO CC[NH+]1CCN(Cc2ccccc2CNC(=O)CSC(F)(F)F)CC1 ZINC000046940327 654687970 /nfs/dbraw/zinc/68/79/70/654687970.db2.gz QTYGZPLHWOGWEI-UHFFFAOYSA-N 1 0 375.460 2.693 20 0 GFADRO Cc1ccc(-n2cnnc2SCC(=O)NCC[NH+]2CCCC2)cc1Cl ZINC000047442777 654695018 /nfs/dbraw/zinc/69/50/18/654695018.db2.gz UFVRDCZCWUQJAR-UHFFFAOYSA-N 1 0 379.917 2.533 20 0 GFADRO COCC[N@@H+]1CCCN(C(=O)C2(c3ccc(Br)cc3)CC2)CC1 ZINC000048428525 654707129 /nfs/dbraw/zinc/70/71/29/654707129.db2.gz IALMYIQTDFHPMX-UHFFFAOYSA-N 1 0 381.314 2.661 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1ccccc1Br)c1cccs1 ZINC000048741840 654712580 /nfs/dbraw/zinc/71/25/80/654712580.db2.gz ZOALLVSRLFARCL-ZDUSSCGKSA-N 1 0 396.310 2.868 20 0 GFADRO CC[N@H+](CC(=O)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1)C1CC1 ZINC000051688529 654727663 /nfs/dbraw/zinc/72/76/63/654727663.db2.gz FERYXVXMJHLRIX-UHFFFAOYSA-N 1 0 384.307 2.762 20 0 GFADRO CN1CCC([NH+]2CCC(NC(=O)NCCc3ccc(Cl)s3)CC2)CC1 ZINC000051759916 654728570 /nfs/dbraw/zinc/72/85/70/654728570.db2.gz NRSQRCRZVSAPKF-UHFFFAOYSA-N 1 0 384.977 2.802 20 0 GFADRO Cc1sc(Br)cc1S(=O)(=O)NC[C@H](C)[NH+]1CCCCC1 ZINC000122412548 654736073 /nfs/dbraw/zinc/73/60/73/654736073.db2.gz VVGNDKCLKQLTEU-JTQLQIEISA-N 1 0 381.361 2.972 20 0 GFADRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)c1c(Br)nc2n1CCCC2 ZINC000837438913 660996973 /nfs/dbraw/zinc/99/69/73/660996973.db2.gz FKBGSJJAHSBXDK-ZDUSSCGKSA-N 1 0 383.334 2.928 20 0 GFADRO CN(CC(=O)NC1CC[NH+](C2CC2)CC1)Cc1cc(Br)cs1 ZINC000052847969 654740770 /nfs/dbraw/zinc/74/07/70/654740770.db2.gz CQKSGMFSRQNYNZ-UHFFFAOYSA-N 1 0 386.359 2.685 20 0 GFADRO CC(C)CC[N@H+](C)[C@@H](C)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000053364894 654745209 /nfs/dbraw/zinc/74/52/09/654745209.db2.gz UEPGLLFETRIVBX-ZDUSSCGKSA-N 1 0 389.949 2.895 20 0 GFADRO Cc1ccc(OCC[NH+]2CCC(NS(=O)(=O)c3cccs3)CC2)cc1 ZINC000054146344 654757341 /nfs/dbraw/zinc/75/73/41/654757341.db2.gz LWIQDODCUFLZQP-UHFFFAOYSA-N 1 0 380.535 2.878 20 0 GFADRO Cn1ccc(C[NH2+]C2(c3cccc(Br)c3)CCOCC2)cc1=O ZINC000055055658 654768238 /nfs/dbraw/zinc/76/82/38/654768238.db2.gz QAOYJCPEQSLSGO-UHFFFAOYSA-N 1 0 377.282 2.943 20 0 GFADRO C[C@H]1CCC[N@H+](CCNC(=O)N(C)C[C@H](O)c2ccccc2Br)C1 ZINC000837518914 661003228 /nfs/dbraw/zinc/00/32/28/661003228.db2.gz GUEKFVDIPZODKF-YOEHRIQHSA-N 1 0 398.345 2.856 20 0 GFADRO CCCN(C(=O)c1csc(I)c1)C1CC[NH2+]CC1 ZINC000124215328 654772315 /nfs/dbraw/zinc/77/23/15/654772315.db2.gz TWHVLPAMBMCCDT-UHFFFAOYSA-N 1 0 378.279 2.957 20 0 GFADRO C[NH+](C)Cc1cccc(CNS(=O)(=O)c2c(Cl)nc3ccccn32)c1 ZINC000055241903 654772475 /nfs/dbraw/zinc/77/24/75/654772475.db2.gz PWXGZIQKMXEGBF-UHFFFAOYSA-N 1 0 378.885 2.528 20 0 GFADRO O=C(CC[NH+]1CCC(N2CCCC2=O)CC1)Nc1cccc(Br)c1 ZINC000124564390 654778659 /nfs/dbraw/zinc/77/86/59/654778659.db2.gz WNROHVTYZVRVPR-UHFFFAOYSA-N 1 0 394.313 2.865 20 0 GFADRO COc1c(Br)cc(Cl)cc1S(=O)(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000124973737 654785071 /nfs/dbraw/zinc/78/50/71/654785071.db2.gz XBBMFQPCINEHDP-UWVGGRQHSA-N 1 0 397.722 2.659 20 0 GFADRO COc1c(Br)cc(Cl)cc1S(=O)(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000124973974 654785126 /nfs/dbraw/zinc/78/51/26/654785126.db2.gz XBBMFQPCINEHDP-NXEZZACHSA-N 1 0 397.722 2.659 20 0 GFADRO C[C@H]1C[NH2+]CCN1C(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000125790980 654802022 /nfs/dbraw/zinc/80/20/22/654802022.db2.gz UHRXRRFZTQWPOS-GXTWGEPZSA-N 1 0 384.307 2.666 20 0 GFADRO O=C(CCNC(=O)NCCC[NH+]1CCCC1)Nc1ccc(Br)cc1 ZINC000057197902 654802840 /nfs/dbraw/zinc/80/28/40/654802840.db2.gz ILXKYTQGPJSJJI-UHFFFAOYSA-N 1 0 397.317 2.563 20 0 GFADRO C[NH+](C)CCn1nnnc1SCCCC(=O)c1ccc(Br)cc1 ZINC000125865417 654803889 /nfs/dbraw/zinc/80/38/89/654803889.db2.gz WUSASLXKWGZSFQ-UHFFFAOYSA-N 1 0 398.330 2.752 20 0 GFADRO C[N@H+](CCNC(=O)C(=O)Nc1cc(Br)ccc1F)C1CCCC1 ZINC000126477844 654814527 /nfs/dbraw/zinc/81/45/27/654814527.db2.gz HBIUYRPUPJKBBI-UHFFFAOYSA-N 1 0 386.265 2.517 20 0 GFADRO Cc1cc(S(=O)(=O)NC[C@H](C)C[NH+]2CCCC2)ccc1Br ZINC000058118426 654815689 /nfs/dbraw/zinc/81/56/89/654815689.db2.gz OFYDIOAZJMBEBU-LBPRGKRZSA-N 1 0 375.332 2.768 20 0 GFADRO C[C@H](CNS(=O)(=O)c1cccc(OC(F)(F)F)c1)[N@@H+]1CCC[C@H](C)C1 ZINC000058178650 654816138 /nfs/dbraw/zinc/81/61/38/654816138.db2.gz FQASBDPCRRXOAL-QWHCGFSZSA-N 1 0 380.432 2.984 20 0 GFADRO O=C(Nc1cncc(Br)c1)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000126803489 654821044 /nfs/dbraw/zinc/82/10/44/654821044.db2.gz CVIPGKIXOMKFQQ-JKSUJKDBSA-N 1 0 397.317 2.734 20 0 GFADRO O=C(Nc1cncc(Br)c1)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000126803061 654821079 /nfs/dbraw/zinc/82/10/79/654821079.db2.gz CVIPGKIXOMKFQQ-HOTGVXAUSA-N 1 0 397.317 2.734 20 0 GFADRO CCn1c(SCC(=O)NC[C@H]2CC[N@H+](CC)C2)nnc1-c1cccs1 ZINC000058923878 654824181 /nfs/dbraw/zinc/82/41/81/654824181.db2.gz KWRMPJIHQDTFGC-CYBMUJFWSA-N 1 0 379.555 2.577 20 0 GFADRO O=S(=O)(c1ccc(F)cc1Br)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000060113202 654826379 /nfs/dbraw/zinc/82/63/79/654826379.db2.gz UYQAYFLEGYJPEY-ZDUSSCGKSA-N 1 0 391.306 2.837 20 0 GFADRO O=S(=O)(NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1ccc(F)cc1Cl ZINC000127519076 654831133 /nfs/dbraw/zinc/83/11/33/654831133.db2.gz ZQERVEQMHKRBOF-JKSUJKDBSA-N 1 0 390.908 2.525 20 0 GFADRO Cc1cc(Cl)ccc1S(=O)(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000127523121 654831173 /nfs/dbraw/zinc/83/11/73/654831173.db2.gz MBUXYHPGJYWHCH-IRXDYDNUSA-N 1 0 386.945 2.695 20 0 GFADRO COc1ccc(C[NH2+]CCNS(=O)(=O)c2ccc(Cl)s2)cc1F ZINC000127856367 654836143 /nfs/dbraw/zinc/83/61/43/654836143.db2.gz JHHVGKHPRAUGPE-UHFFFAOYSA-N 1 0 378.878 2.617 20 0 GFADRO C[C@@H](NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1ccc(F)c(Br)c1 ZINC000127972953 654839052 /nfs/dbraw/zinc/83/90/52/654839052.db2.gz LXLYDVXFQHJWNH-OCCSQVGLSA-N 1 0 386.309 2.826 20 0 GFADRO Cc1ccc(Br)c(S(=O)(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)c1 ZINC000128121253 654841109 /nfs/dbraw/zinc/84/11/09/654841109.db2.gz UFPUNJQQQWTDHN-STQMWFEESA-N 1 0 375.332 2.909 20 0 GFADRO Cc1c(C(=O)N[C@@H]2CCCC[C@H]2[NH3+])cnn1-c1cccc(Br)c1 ZINC000128385368 654845356 /nfs/dbraw/zinc/84/53/56/654845356.db2.gz HLXYVCFJZZIGKZ-HZPDHXFCSA-N 1 0 377.286 2.943 20 0 GFADRO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)Nc1ccccc1SCC(F)(F)F ZINC000062587368 654846457 /nfs/dbraw/zinc/84/64/57/654846457.db2.gz QSTVZEWAEOJZHF-NSHDSACASA-N 1 0 377.432 2.736 20 0 GFADRO CCOc1c(Br)cc(C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)cc1OC ZINC000063115827 654848923 /nfs/dbraw/zinc/84/89/23/654848923.db2.gz KJPOTDOZZSEZNR-GFCCVEGCSA-N 1 0 383.286 2.823 20 0 GFADRO O=C(OCCC[NH+]1CCCC1)c1cccnc1-n1cc(Br)cn1 ZINC000837926467 661020506 /nfs/dbraw/zinc/02/05/06/661020506.db2.gz SUKCAHAQHQAYAZ-UHFFFAOYSA-N 1 0 379.258 2.673 20 0 GFADRO CC(C)[C@H](CNS(=O)(=O)/C=C/c1ccccc1Cl)N1CC[NH+](C)CC1 ZINC000266212294 654863629 /nfs/dbraw/zinc/86/36/29/654863629.db2.gz QQKGRXWQYXSFRE-RORWEDLISA-N 1 0 385.961 2.502 20 0 GFADRO O=C(/C=C/c1csc(Br)c1)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000266269690 654867860 /nfs/dbraw/zinc/86/78/60/654867860.db2.gz XDDJYBALNKZIEU-VSZDKKFSSA-N 1 0 385.327 2.705 20 0 GFADRO O=[S@@](CC[N@@H+]1CC[C@H](CN2CCOCC2)C1)c1cc(Cl)ccc1Cl ZINC000129623646 654868996 /nfs/dbraw/zinc/86/89/96/654868996.db2.gz LNNUVEHFIRSXCY-LFPIHBKWSA-N 1 0 391.364 2.755 20 0 GFADRO CC[N@H+](CCCOc1cccc(I)c1)CCC(=O)OC ZINC000064569608 654871729 /nfs/dbraw/zinc/87/17/29/654871729.db2.gz NRAJWOJYYYUSJR-UHFFFAOYSA-N 1 0 391.249 2.945 20 0 GFADRO CSCC[C@H]1NC(=S)N(C[C@H]2CCC[N@H+](Cc3cccs3)C2)C1=O ZINC000064616804 654872977 /nfs/dbraw/zinc/87/29/77/654872977.db2.gz BMRMLYZTVWOJSV-DZGCQCFKSA-N 1 0 383.608 2.799 20 0 GFADRO Cn1cc(Br)cc1C(=O)NCC1([NH+]2CCCCC2)CCOCC1 ZINC000266353170 654874113 /nfs/dbraw/zinc/87/41/13/654874113.db2.gz XWERIAZKCMCEAU-UHFFFAOYSA-N 1 0 384.318 2.553 20 0 GFADRO Cc1ccc(-n2nc(Br)cc2C(=O)NC[C@H]2CCC[NH2+]C2)cc1 ZINC000129918500 654877440 /nfs/dbraw/zinc/87/74/40/654877440.db2.gz VYABKHMFXCBKTR-ZDUSSCGKSA-N 1 0 377.286 2.673 20 0 GFADRO C[NH+](C)CCNC(=O)c1cccc(CNc2cncc(Br)c2)c1 ZINC000266431288 654878991 /nfs/dbraw/zinc/87/89/91/654878991.db2.gz UJXUDLBKUSOSHF-UHFFFAOYSA-N 1 0 377.286 2.748 20 0 GFADRO C[NH+](C)CCn1cc(NC(=O)c2cc3cc(Br)ccc3[nH]2)cn1 ZINC000130222803 654884494 /nfs/dbraw/zinc/88/44/94/654884494.db2.gz GESBTAOKCZXDLS-UHFFFAOYSA-N 1 0 376.258 2.941 20 0 GFADRO COC(=O)C[C@H]1CSCC[N@@H+]1CCC(=O)Nc1cc(Cl)ccc1OC ZINC000266892840 654898006 /nfs/dbraw/zinc/89/80/06/654898006.db2.gz DJBQBABFRVDBNE-ZDUSSCGKSA-N 1 0 386.901 2.658 20 0 GFADRO C[N@@H+]1CCC[C@H](CCNC(=O)/C=C/c2ccc(I)o2)C1 ZINC000838137157 661029952 /nfs/dbraw/zinc/02/99/52/661029952.db2.gz PJUGRQXXTDOJFG-HOSRBBHYSA-N 1 0 388.249 2.746 20 0 GFADRO Cc1c(Br)cccc1CN1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000131212893 654899015 /nfs/dbraw/zinc/89/90/15/654899015.db2.gz UEUGHKGTRXCSGD-KRWDZBQOSA-N 1 0 380.330 2.672 20 0 GFADRO CC(C)[NH+]1CCN(CCCOC(=O)[C@H](O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000838145728 661030690 /nfs/dbraw/zinc/03/06/90/661030690.db2.gz NLXWZQARVZBIOZ-QGZVFWFLSA-N 1 0 389.323 2.986 20 0 GFADRO CCC[N@H+](CC)CCNC(=O)C(=O)Nc1cccc(C2SCCS2)c1 ZINC000267094008 654910356 /nfs/dbraw/zinc/91/03/56/654910356.db2.gz RQZJIKPKQYYEAJ-UHFFFAOYSA-N 1 0 381.567 2.952 20 0 GFADRO CN(Cc1ccc(Br)o1)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000267215712 654917919 /nfs/dbraw/zinc/91/79/19/654917919.db2.gz SYFQFKUADGPOSM-CQSZACIVSA-N 1 0 376.320 2.621 20 0 GFADRO O=C(c1ccc(I)cc1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000066945666 654923270 /nfs/dbraw/zinc/92/32/70/654923270.db2.gz MPRCYPGPSVCQRX-OAHLLOKOSA-N 1 0 384.261 2.992 20 0 GFADRO O=C(c1ccc(Br)cc1)N1CCN(CC[NH+]2CCCCC2)CC1 ZINC000132260044 654931073 /nfs/dbraw/zinc/93/10/73/654931073.db2.gz KQNBHJZYVKMTAB-UHFFFAOYSA-N 1 0 380.330 2.693 20 0 GFADRO NC(=O)COc1ccc(C[NH2+][C@@H]2CCOc3ccc(Br)cc32)cc1 ZINC000067223640 654933940 /nfs/dbraw/zinc/93/39/40/654933940.db2.gz AUXDGWRRNLIBCC-MRXNPFEDSA-N 1 0 391.265 2.927 20 0 GFADRO C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@@H]1COCCO1 ZINC000067282471 654935066 /nfs/dbraw/zinc/93/50/66/654935066.db2.gz WJMZCUCGZKDYPX-INIZCTEOSA-N 1 0 375.296 2.689 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)C(=O)N[C@@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000067397839 654937667 /nfs/dbraw/zinc/93/76/67/654937667.db2.gz UBJYSOSKFXBVMK-JSGCOSHPSA-N 1 0 396.329 2.933 20 0 GFADRO CN(C)C(=O)Sc1cccc(C[N@H+](CCO)CCOCC(F)(F)F)c1 ZINC000267617727 654938436 /nfs/dbraw/zinc/93/84/36/654938436.db2.gz JUZCQXOBLUOLCV-UHFFFAOYSA-N 1 0 380.432 2.834 20 0 GFADRO O=C(CC[NH+]1CCC2(CNC(=O)C2)CC1)Nc1ccc(Br)cc1F ZINC000267621001 654938764 /nfs/dbraw/zinc/93/87/64/654938764.db2.gz DQUQGMOEMSRJAO-UHFFFAOYSA-N 1 0 398.276 2.519 20 0 GFADRO CSc1nc2ccc(NC(=O)C(=O)N3CCC[C@H]([NH+](C)C)C3)cc2s1 ZINC000267668026 654941102 /nfs/dbraw/zinc/94/11/02/654941102.db2.gz CFZSLRPABNJIQG-LBPRGKRZSA-N 1 0 378.523 2.509 20 0 GFADRO Cc1[nH]c(=O)c(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1Br ZINC000132603379 654943210 /nfs/dbraw/zinc/94/32/10/654943210.db2.gz FIISWMYYDKROBZ-LRDDRELGSA-N 1 0 394.313 2.947 20 0 GFADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(F)c(F)cc1Br ZINC000132644295 654944476 /nfs/dbraw/zinc/94/44/76/654944476.db2.gz KTPFZRYIJPXPDG-SNVBAGLBSA-N 1 0 377.229 2.568 20 0 GFADRO COC(=O)c1cc(C[NH2+]CCC(=O)Nc2cc(Br)ccc2C)c[nH]1 ZINC000267782377 654946309 /nfs/dbraw/zinc/94/63/09/654946309.db2.gz CKTUZZXUKDMSCS-UHFFFAOYSA-N 1 0 394.269 2.991 20 0 GFADRO C[C@@H]1CCC[N@H+](C[C@H](O)COc2ccc(Cl)cc2Br)[C@@H]1CO ZINC000132913731 654949370 /nfs/dbraw/zinc/94/93/70/654949370.db2.gz YMTOPBNITZPKFD-OSAQELSMSA-N 1 0 392.721 2.935 20 0 GFADRO C[C@H](CC[S@@](C)=O)NC(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000268106243 654959315 /nfs/dbraw/zinc/95/93/15/654959315.db2.gz DBDJUAUFECECQQ-SGANQWHYSA-N 1 0 383.583 2.557 20 0 GFADRO CC[NH+]1CCC(CCNS(=O)(=O)c2ccc(C(=O)OC)c(Cl)c2)CC1 ZINC000133638383 654969203 /nfs/dbraw/zinc/96/92/03/654969203.db2.gz MKGCHXWRIAZWOT-UHFFFAOYSA-N 1 0 388.917 2.527 20 0 GFADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(Br)ccc1Cl ZINC000069527285 654982994 /nfs/dbraw/zinc/98/29/94/654982994.db2.gz NCCAQNGRZJYICZ-GFCCVEGCSA-N 1 0 375.694 2.943 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)C(=O)N(C)CC1CC[NH+](C)CC1 ZINC000268794170 654986918 /nfs/dbraw/zinc/98/69/18/654986918.db2.gz NNNIUGBLHSCIGG-UHFFFAOYSA-N 1 0 396.329 2.750 20 0 GFADRO NC(=O)[C@@H]1CCCN1CCC[NH2+][C@H]1CCc2c1cc(Br)cc2F ZINC000268934959 654991892 /nfs/dbraw/zinc/99/18/92/654991892.db2.gz RLEAWCQVQNZYLJ-HOTGVXAUSA-N 1 0 384.293 2.505 20 0 GFADRO CC(C)NS(=O)(=O)[C@@H]1CC[N@H+](CCc2cccc(OC(F)(F)F)c2)C1 ZINC000134366682 654992306 /nfs/dbraw/zinc/99/23/06/654992306.db2.gz FCECBAWUKGFJSS-OAHLLOKOSA-N 1 0 380.432 2.530 20 0 GFADRO CC[C@]1(C(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)CCC[NH2+]1 ZINC000134377676 654992540 /nfs/dbraw/zinc/99/25/40/654992540.db2.gz IXQOJXNWJIIWRH-QGZVFWFLSA-N 1 0 385.917 2.595 20 0 GFADRO C[C@@H]([NH2+]CCCC(F)(F)F)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000269014343 654995307 /nfs/dbraw/zinc/99/53/07/654995307.db2.gz YESHVJMTVDTFOK-CYBMUJFWSA-N 1 0 380.432 2.701 20 0 GFADRO COCCCN(CCSc1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000071119985 654999570 /nfs/dbraw/zinc/99/95/70/654999570.db2.gz OZIDPICHPCXHBQ-HNNXBMFYSA-N 1 0 377.959 2.958 20 0 GFADRO CCOc1c(Br)cc(C[NH2+]C[C@@H](O)COC)cc1Br ZINC000071269969 654999720 /nfs/dbraw/zinc/99/97/20/654999720.db2.gz RAWFTJACARUXAJ-SNVBAGLBSA-N 1 0 397.107 2.707 20 0 GFADRO Cc1ccc(Br)cc1S(=O)(=O)NCC[N@@H+](C)C1CCCC1 ZINC000071379918 655000035 /nfs/dbraw/zinc/00/00/35/655000035.db2.gz LAUIIPJHVAAFOS-UHFFFAOYSA-N 1 0 375.332 2.910 20 0 GFADRO [NH3+]CCCOC1CCN(C(=O)Cc2cn3cc(Cl)cc(Cl)c3n2)CC1 ZINC000269200067 655001459 /nfs/dbraw/zinc/00/14/59/655001459.db2.gz UURXOOJHYYAFAX-UHFFFAOYSA-N 1 0 385.295 2.540 20 0 GFADRO C[C@H](NC(=O)c1cnn(-c2ccc(Br)cc2)c1)[C@@H]1CCC[NH2+]C1 ZINC000269229335 655002436 /nfs/dbraw/zinc/00/24/36/655002436.db2.gz VMTNLWDYSDJJKB-QWHCGFSZSA-N 1 0 377.286 2.753 20 0 GFADRO C[C@@H]1CN(C(=O)c2nn(-c3ccc(F)cc3)cc2Br)CC[C@H]1[NH3+] ZINC000269308879 655005110 /nfs/dbraw/zinc/00/51/10/655005110.db2.gz ZXBJATILRXFIHP-QMTHXVAHSA-N 1 0 381.249 2.583 20 0 GFADRO C[C@H]1CN(C(=O)c2nn(-c3ccc(F)cc3)cc2Br)CC[C@@H]1[NH3+] ZINC000269308874 655005136 /nfs/dbraw/zinc/00/51/36/655005136.db2.gz ZXBJATILRXFIHP-HZMBPMFUSA-N 1 0 381.249 2.583 20 0 GFADRO COCCCNC(=O)C1CC[NH+](C[C@@H](O)c2ccc(Cl)cc2Cl)CC1 ZINC000135114779 655010305 /nfs/dbraw/zinc/01/03/05/655010305.db2.gz AFVSPGHOMDWUBX-QGZVFWFLSA-N 1 0 389.323 2.892 20 0 GFADRO Cc1n[nH]cc1C[N@@H+]1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000091842534 655010596 /nfs/dbraw/zinc/01/05/96/655010596.db2.gz HATINTBJRGGCTR-GFCCVEGCSA-N 1 0 378.274 2.726 20 0 GFADRO C[C@@H]1CN(C(=O)NCC[C@]2(C)CC2(Cl)Cl)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000838687577 661054650 /nfs/dbraw/zinc/05/46/50/661054650.db2.gz RKCCFOGNVAIXQG-BFYDXBDKSA-N 1 0 391.387 2.628 20 0 GFADRO O=C(CCC[NH2+]Cc1ncc(Br)cc1Br)NC1CC1 ZINC000135306176 655013644 /nfs/dbraw/zinc/01/36/44/655013644.db2.gz SVCPJELZMMOTAA-UHFFFAOYSA-N 1 0 391.107 2.755 20 0 GFADRO Cc1cc(C[NH+]2CCC(N(C)S(C)(=O)=O)CC2)cc(C)c1OC(F)F ZINC000092529855 655013961 /nfs/dbraw/zinc/01/39/61/655013961.db2.gz UEJASGSRIAVQSP-UHFFFAOYSA-N 1 0 376.469 2.761 20 0 GFADRO COC(=O)[C@H](O)C1CC[NH+](CCC(=O)Nc2cc(Cl)ccc2Cl)CC1 ZINC000135359433 655014654 /nfs/dbraw/zinc/01/46/54/655014654.db2.gz PULWAJIZNBYXGN-MRXNPFEDSA-N 1 0 389.279 2.568 20 0 GFADRO CC[C@H](C)[C@H]([NH3+])C(=O)N1CCC(C(=O)Nc2cccc(Br)c2)CC1 ZINC000269674345 655016609 /nfs/dbraw/zinc/01/66/09/655016609.db2.gz PWHJZEBXUYYZIG-LRDDRELGSA-N 1 0 396.329 3.000 20 0 GFADRO COc1cc(C[N@H+](C[C@H](C)O)C(C)C)cc(I)c1OC ZINC000093145261 655017604 /nfs/dbraw/zinc/01/76/04/655017604.db2.gz MGZMSOFZELKHRN-NSHDSACASA-N 1 0 393.265 2.900 20 0 GFADRO CC(C)[NH+]1CCC(N2CCN(Cc3ccc(Br)cn3)CC2)CC1 ZINC000269703120 655018041 /nfs/dbraw/zinc/01/80/41/655018041.db2.gz YXNYUGUPTIVYLW-UHFFFAOYSA-N 1 0 381.362 2.835 20 0 GFADRO CN(C[C@@H](O)c1ccccc1Br)C(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000838763206 661056204 /nfs/dbraw/zinc/05/62/04/661056204.db2.gz CKGDYBBRNJMQFP-RHSMWYFYSA-N 1 0 398.345 2.856 20 0 GFADRO COC(=O)c1cc(NC[C@](C)(O)C[NH+](C)C)c2cc(Br)ccc2n1 ZINC000269763530 655020619 /nfs/dbraw/zinc/02/06/19/655020619.db2.gz FPENWOFOJQJBBQ-KRWDZBQOSA-N 1 0 396.285 2.508 20 0 GFADRO O=S(=O)(c1c[nH]c2nccc(Cl)c12)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000093917639 655023737 /nfs/dbraw/zinc/02/37/37/655023737.db2.gz OSZNQTOICYRRLY-ZDUSSCGKSA-N 1 0 382.917 2.855 20 0 GFADRO COCC[N@@H+]1CC[C@@H](NC(=O)Nc2cc(F)c(Br)cc2F)C1 ZINC000269841360 655024464 /nfs/dbraw/zinc/02/44/64/655024464.db2.gz AGODGVJGJPGLNT-SECBINFHSA-N 1 0 378.217 2.570 20 0 GFADRO C[C@H]([NH2+]C1CCN(S(=O)(=O)C(F)(F)F)CC1)c1ccccc1N(C)C ZINC000093946942 655025523 /nfs/dbraw/zinc/02/55/23/655025523.db2.gz KYGDRMJHXBZXJT-LBPRGKRZSA-N 1 0 379.448 2.717 20 0 GFADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)Nc3cc(F)ccc3Br)C2)CC1 ZINC000136441275 655031332 /nfs/dbraw/zinc/03/13/32/655031332.db2.gz PQJJUAXNTIFIOG-CQSZACIVSA-N 1 0 399.308 2.832 20 0 GFADRO C[NH+](C)CCn1cc(NS(=O)(=O)c2ccc(C(C)(C)C)s2)ccc1=O ZINC000270052855 655032714 /nfs/dbraw/zinc/03/27/14/655032714.db2.gz RSSAKXQMGYOUMT-UHFFFAOYSA-N 1 0 383.539 2.570 20 0 GFADRO C[C@H](CCc1ccc(O)cc1)[NH2+]CCNS(=O)(=O)c1ccc(Cl)s1 ZINC000136567722 655033250 /nfs/dbraw/zinc/03/32/50/655033250.db2.gz SBMIDQBEDRZMLL-GFCCVEGCSA-N 1 0 388.942 2.996 20 0 GFADRO O=C(NCCCC[NH+]1CCOCC1)c1cc(Cl)ccc1Br ZINC000097493610 655035216 /nfs/dbraw/zinc/03/52/16/655035216.db2.gz HXLQGQKFANRARH-UHFFFAOYSA-N 1 0 375.694 2.945 20 0 GFADRO O=C(CCc1ccccc1Br)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000136946985 655037121 /nfs/dbraw/zinc/03/71/21/655037121.db2.gz QVGSPMQSRPPWBW-HNNXBMFYSA-N 1 0 395.341 2.999 20 0 GFADRO CCOc1c(Br)cc(Cl)cc1NC(=O)C[C@H]1C[NH2+]CCO1 ZINC000097698790 655037543 /nfs/dbraw/zinc/03/75/43/655037543.db2.gz OJDCTIARJJVQAC-JTQLQIEISA-N 1 0 377.666 2.818 20 0 GFADRO Cc1ncsc1C[NH2+]CCCN(C1CC1)S(=O)(=O)c1cccc(F)c1 ZINC000270210550 655037592 /nfs/dbraw/zinc/03/75/92/655037592.db2.gz NXWJJHNWUIGFHN-UHFFFAOYSA-N 1 0 383.514 2.924 20 0 GFADRO CC(=O)N1CCC(C[NH2+]Cc2cn(-c3ccc(Cl)cc3Cl)nn2)CC1 ZINC000270241105 655038289 /nfs/dbraw/zinc/03/82/89/655038289.db2.gz QAUAOZGNUSPTSD-UHFFFAOYSA-N 1 0 382.295 2.922 20 0 GFADRO CC(C)(O)C[NH+]1CCN(C(=O)Cc2cc(Cl)ccc2Br)CC1 ZINC000137680238 655041475 /nfs/dbraw/zinc/04/14/75/655041475.db2.gz JDQRLUCORGILEH-UHFFFAOYSA-N 1 0 389.721 2.560 20 0 GFADRO CCc1ccc(S(=O)(=O)NC2CC[NH+](CCc3ccncc3)CC2)s1 ZINC000101578059 655045158 /nfs/dbraw/zinc/04/51/58/655045158.db2.gz WZKOXPPICLUPSW-UHFFFAOYSA-N 1 0 379.551 2.691 20 0 GFADRO CC[N@H+](CCNC(=O)C[C@@H](NC(C)=O)c1ccc(Br)cc1)C(C)C ZINC000102496048 655055570 /nfs/dbraw/zinc/05/55/70/655055570.db2.gz UWKGCJCTTMYONL-QGZVFWFLSA-N 1 0 398.345 2.863 20 0 GFADRO CC[NH+](CC)CCN(C(=O)c1cc(Cl)ccc1C)[C@H]1CCS(=O)(=O)C1 ZINC000271060156 655065318 /nfs/dbraw/zinc/06/53/18/655065318.db2.gz KDAXUMDQLBUIRE-INIZCTEOSA-N 1 0 386.945 2.620 20 0 GFADRO CCC[C@H]1CN(C[C@@H](O)c2ccc(Br)cc2)CC[N@@H+]1CCOC ZINC000271076038 655065748 /nfs/dbraw/zinc/06/57/48/655065748.db2.gz WXYLYUGFJIDQTP-ZWKOTPCHSA-N 1 0 385.346 2.915 20 0 GFADRO NC(=O)[C@H]([NH2+][C@@H]1CCN(c2ccc(Br)cc2)C1)c1ccc(F)cc1 ZINC000103165055 655068644 /nfs/dbraw/zinc/06/86/44/655068644.db2.gz JBUUKFGFJWULLX-NVXWUHKLSA-N 1 0 392.272 2.983 20 0 GFADRO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000153855790 655071385 /nfs/dbraw/zinc/07/13/85/655071385.db2.gz BWVQMZVOHKLRDX-AOOOYVTPSA-N 1 0 379.254 2.686 20 0 GFADRO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)N1C[C@@H](C)[NH2+][C@H](C)C1 ZINC000153855901 655071396 /nfs/dbraw/zinc/07/13/96/655071396.db2.gz BWVQMZVOHKLRDX-NXEZZACHSA-N 1 0 379.254 2.686 20 0 GFADRO NC(=O)CCC1CC[NH+](Cc2cc3c(cc2Br)OCCO3)CC1 ZINC000271236725 655072172 /nfs/dbraw/zinc/07/21/72/655072172.db2.gz NEGSCMKQBFDHFJ-UHFFFAOYSA-N 1 0 383.286 2.698 20 0 GFADRO COC(=O)CC[N@H+](Cc1cc(Br)cc2c1OCC2)C1CCOCC1 ZINC000153969583 655072328 /nfs/dbraw/zinc/07/23/28/655072328.db2.gz RKKZRKRVDULLAC-UHFFFAOYSA-N 1 0 398.297 2.928 20 0 GFADRO C[C@H](Oc1ccc(Cl)cc1Br)C(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000104188841 655079457 /nfs/dbraw/zinc/07/94/57/655079457.db2.gz SJPJEXAAPNZIIM-WDEREUQCSA-N 1 0 375.694 2.938 20 0 GFADRO CC[N@@H+]1CCCN(C(=O)Nc2ccc(Br)c(C(=O)OC)c2)CC1 ZINC000271720696 655092616 /nfs/dbraw/zinc/09/26/16/655092616.db2.gz QBZMKOJXDDFCBD-UHFFFAOYSA-N 1 0 384.274 2.795 20 0 GFADRO NC(=O)CC[C@H]1CCC[N@H+](Cn2ccc(=O)c3cccc(Br)c32)C1 ZINC000105604634 655095713 /nfs/dbraw/zinc/09/57/13/655095713.db2.gz RVDSYLFETOQTOH-CYBMUJFWSA-N 1 0 392.297 2.699 20 0 GFADRO C[N@H+]1CC=C(CNC(=O)c2cc(I)c(F)cc2F)CC1 ZINC000271835490 655096531 /nfs/dbraw/zinc/09/65/31/655096531.db2.gz HNGLVRFGLRHWAE-UHFFFAOYSA-N 1 0 392.187 2.561 20 0 GFADRO Cc1c(C(=O)NCC2=CC[N@H+](C)CC2)cnn1-c1ccc(Br)cc1 ZINC000271884150 655097928 /nfs/dbraw/zinc/09/79/28/655097928.db2.gz NNMOFZNWEGCSSF-UHFFFAOYSA-N 1 0 389.297 2.935 20 0 GFADRO CC(C)C[C@](C)(C[NH3+])NC(=O)c1ccc(F)cc1I ZINC000157534133 655101069 /nfs/dbraw/zinc/10/10/69/655101069.db2.gz OJWCEXYKPCDOQW-CQSZACIVSA-N 1 0 378.229 2.924 20 0 GFADRO CS(=O)(=O)c1cccc(Cl)c1C[NH2+]C[C@@H]1CCN(CC(F)(F)F)C1 ZINC000272073624 655101776 /nfs/dbraw/zinc/10/17/76/655101776.db2.gz FVBKARXNAUWHPJ-NSHDSACASA-N 1 0 384.851 2.717 20 0 GFADRO COc1cc([C@H](C)NC[C@H]2CCC[N@H+](C)C2)ccc1S(=O)(=O)C(F)F ZINC000158193829 655105474 /nfs/dbraw/zinc/10/54/74/655105474.db2.gz YKHZRBQWCYWDPI-QWHCGFSZSA-N 1 0 376.469 2.684 20 0 GFADRO C[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C1 ZINC000106364123 655107298 /nfs/dbraw/zinc/10/72/98/655107298.db2.gz HXXZBXUGIQUDGY-UONOGXRCSA-N 1 0 384.307 2.899 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)c2ccc(I)cc2Cl)C1 ZINC000272287868 655108040 /nfs/dbraw/zinc/10/80/40/655108040.db2.gz PCLNAYQXFYKZJS-BDAKNGLRSA-N 1 0 378.641 2.754 20 0 GFADRO Cc1ccc(-n2nc(Br)cc2C(=O)N2CC[C@H]([C@H](C)[NH3+])C2)cc1 ZINC000272296417 655108311 /nfs/dbraw/zinc/10/83/11/655108311.db2.gz PZZXXBITGPWHQC-STQMWFEESA-N 1 0 377.286 2.753 20 0 GFADRO Cc1ccccc1[C@H](O)C[NH+]1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000158771651 655109034 /nfs/dbraw/zinc/10/90/34/655109034.db2.gz DZRMCUJOUBIRGU-QGZVFWFLSA-N 1 0 380.535 2.533 20 0 GFADRO Cc1ccccc1[C@@H](O)C[NH+]1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000158771783 655109056 /nfs/dbraw/zinc/10/90/56/655109056.db2.gz DZRMCUJOUBIRGU-KRWDZBQOSA-N 1 0 380.535 2.533 20 0 GFADRO CC[NH+]1CCN([C@H]2CCN(C(=O)CCc3cccc(Br)c3)C2)CC1 ZINC000106800662 655111599 /nfs/dbraw/zinc/11/15/99/655111599.db2.gz UCOAOUYTKPCNEW-SFHVURJKSA-N 1 0 394.357 2.620 20 0 GFADRO CC(C)[C@H](C(=O)N[C@H](C)c1cc2c(cc1Br)OCCO2)[NH+](C)C ZINC000106909124 655114456 /nfs/dbraw/zinc/11/44/56/655114456.db2.gz MNBMUMSTMZEYMU-BDJLRTHQSA-N 1 0 385.302 2.984 20 0 GFADRO CC[N@@H+]1CC[C@@H](CNC(=O)c2cnn(-c3cccc(Br)c3)c2)C1 ZINC000106927281 655114968 /nfs/dbraw/zinc/11/49/68/655114968.db2.gz IUQXZJUUDGWXBD-ZDUSSCGKSA-N 1 0 377.286 2.706 20 0 GFADRO OC[C@H]1CCCC[N@@H+]1C[C@H](O)COc1ccc(Cl)cc1Br ZINC000159889475 655117366 /nfs/dbraw/zinc/11/73/66/655117366.db2.gz DWPDZPPWKWWJGS-OLZOCXBDSA-N 1 0 378.694 2.689 20 0 GFADRO C[C@H]([NH2+]C1CCN(CCS(C)(=O)=O)CC1)c1ccccc1Br ZINC000159915674 655117649 /nfs/dbraw/zinc/11/76/49/655117649.db2.gz RPBNXTNOWVDEQM-ZDUSSCGKSA-N 1 0 389.359 2.609 20 0 GFADRO CC[NH+]1CCN([C@H]2CCN(Cc3cc(Br)ccc3OC)C2)CC1 ZINC000107372074 655120382 /nfs/dbraw/zinc/12/03/82/655120382.db2.gz XXCZEHPQBQESJN-KRWDZBQOSA-N 1 0 382.346 2.670 20 0 GFADRO COC(=O)c1ccc(C[NH2+]CCC(=O)Nc2ccc(Br)cc2)[nH]1 ZINC000272756561 655120504 /nfs/dbraw/zinc/12/05/04/655120504.db2.gz PEWRDHGBRKCKRD-UHFFFAOYSA-N 1 0 380.242 2.682 20 0 GFADRO Cc1c([C@@H](C)[NH2+]CC(C)(C)C(N)=O)nnn1-c1cccc(Br)c1 ZINC000272910673 655125151 /nfs/dbraw/zinc/12/51/51/655125151.db2.gz WNZOGNZXPWKTAB-SNVBAGLBSA-N 1 0 380.290 2.500 20 0 GFADRO COc1cc(C[N@H+](C)CCc2ccc(S(N)(=O)=O)cc2)ccc1SC ZINC000107910786 655126292 /nfs/dbraw/zinc/12/62/92/655126292.db2.gz KWNOTRISWNHDKM-UHFFFAOYSA-N 1 0 380.535 2.739 20 0 GFADRO COc1ccc(C(=O)N(C)C2CCC([NH3+])CC2)c(I)c1 ZINC000161410065 655126977 /nfs/dbraw/zinc/12/69/77/655126977.db2.gz CDVSWBYCFXESMX-UHFFFAOYSA-N 1 0 388.249 2.642 20 0 GFADRO CN(Cc1ccccc1F)C(=O)C[NH2+][C@@H](CO)c1ccc(Br)cc1 ZINC000273048834 655128532 /nfs/dbraw/zinc/12/85/32/655128532.db2.gz FCUCOTBXLIJNRA-KRWDZBQOSA-N 1 0 395.272 2.870 20 0 GFADRO O=C1OCC[C@H]1CC[NH+]1CCN(Cc2ccc(Br)c(F)c2)CC1 ZINC000161799387 655128631 /nfs/dbraw/zinc/12/86/31/655128631.db2.gz IHUCFXCUESQLEY-CQSZACIVSA-N 1 0 385.277 2.659 20 0 GFADRO CC(C)OC(=O)N1CCC([NH2+][C@H](C(N)=O)c2cccc(Br)c2)CC1 ZINC000162119199 655130241 /nfs/dbraw/zinc/13/02/41/655130241.db2.gz LPQWAJRALCSWSX-HNNXBMFYSA-N 1 0 398.301 2.575 20 0 GFADRO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)c1csc(I)c1 ZINC000108299518 655130908 /nfs/dbraw/zinc/13/09/08/655130908.db2.gz NLDOEPKQCXEVRJ-LLVKDONJSA-N 1 0 376.263 2.567 20 0 GFADRO CCOc1c(Br)cc(C(=O)NC[C@H]2CCC[N@H+](C)C2)cc1OC ZINC000108330161 655131305 /nfs/dbraw/zinc/13/13/05/655131305.db2.gz GGRKYBMLLSKAKR-GFCCVEGCSA-N 1 0 385.302 2.928 20 0 GFADRO O=C(C[NH2+][C@H](CO)c1ccc(Br)cc1)N1CCc2ccccc2C1 ZINC000273151672 655132673 /nfs/dbraw/zinc/13/26/73/655132673.db2.gz XGUDUCPTNHRZGB-GOSISDBHSA-N 1 0 389.293 2.657 20 0 GFADRO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1sccc1S(=O)(=O)C(F)F ZINC000108462889 655133173 /nfs/dbraw/zinc/13/31/73/655133173.db2.gz LMZKTLMTUVWSRF-NSHDSACASA-N 1 0 380.482 2.739 20 0 GFADRO Cc1ccc([C@H]([NH2+][C@H](C)C[S@@](C)=O)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000273180874 655133999 /nfs/dbraw/zinc/13/39/99/655133999.db2.gz DZJYJTKZDYZQEF-YOQPTCTGSA-N 1 0 379.547 2.845 20 0 GFADRO COc1ccc(CNC(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)cc1Br ZINC000108570940 655134672 /nfs/dbraw/zinc/13/46/72/655134672.db2.gz HMVRHVVRPOYQGU-CQSZACIVSA-N 1 0 382.302 2.741 20 0 GFADRO CC[C@H]([NH2+][C@@H](C)C(=O)N(CC)[C@H]1CCS(=O)(=O)C1)c1ccc(Cl)s1 ZINC000273226475 655135840 /nfs/dbraw/zinc/13/58/40/655135840.db2.gz CADPVYYOBQFMJO-AVGNSLFASA-N 1 0 392.974 2.866 20 0 GFADRO COCC[N@H+](C)CCCNCc1ncc(Br)cc1Br ZINC000273250917 655136663 /nfs/dbraw/zinc/13/66/63/655136663.db2.gz WDJKNOIKEXTXPB-UHFFFAOYSA-N 1 0 395.139 2.665 20 0 GFADRO Cc1cc(Br)cn2cc(CCNC(=O)NCCCCCCO)nc12 ZINC000273275396 655137407 /nfs/dbraw/zinc/13/74/07/655137407.db2.gz KERXCFQFGTYBFH-UHFFFAOYSA-N 1 0 397.317 2.800 20 0 GFADRO C[NH+](C)C1CCN(C(=O)[C@H]2CCN(c3cc(Cl)cc(Cl)c3)C2=O)CC1 ZINC000108820538 655138345 /nfs/dbraw/zinc/13/83/45/655138345.db2.gz ZBPDKGRNEBPMGR-MRXNPFEDSA-N 1 0 384.307 2.899 20 0 GFADRO CC(=O)N1CC[C@@H](C[N@@H+](C)Cn2ccc(=O)c3cccc(Br)c32)C1 ZINC000165125132 655139718 /nfs/dbraw/zinc/13/97/18/655139718.db2.gz FQOCSNWBSUOCFF-AWEZNQCLSA-N 1 0 392.297 2.522 20 0 GFADRO Nc1cc(N)[nH+]c(SCc2nc(Cc3cccc(Br)c3)no2)n1 ZINC000109143905 655142788 /nfs/dbraw/zinc/14/27/88/655142788.db2.gz DTKMSDUYVQMEGO-UHFFFAOYSA-N 1 0 393.270 2.670 20 0 GFADRO CC(C)(C)[N@@H+]1CCCN(C(=O)C(=O)Nc2cc(Cl)c(N)c(Cl)c2)CC1 ZINC000839473067 661085847 /nfs/dbraw/zinc/08/58/47/661085847.db2.gz AZKAPBDNIDUVJG-UHFFFAOYSA-N 1 0 387.311 2.847 20 0 GFADRO Cc1c(Cl)cccc1S(=O)(=O)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000109546629 655148066 /nfs/dbraw/zinc/14/80/66/655148066.db2.gz JZJOAYHUXYYPQL-UHFFFAOYSA-N 1 0 386.945 2.771 20 0 GFADRO CC[C@H]([NH2+]CC(=O)Nc1cccc(S(N)(=O)=O)c1)c1ccc(Cl)s1 ZINC000273559680 655148170 /nfs/dbraw/zinc/14/81/70/655148170.db2.gz ZDALRIHOFIKMRJ-LBPRGKRZSA-N 1 0 387.914 2.728 20 0 GFADRO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)CN1CCC[C@@H]([NH+](C)C)C1 ZINC000109806761 655152347 /nfs/dbraw/zinc/15/23/47/655152347.db2.gz AVECPECRGGHJOC-GFCCVEGCSA-N 1 0 388.295 2.745 20 0 GFADRO C[C@@H](NC(=O)CN1CC[C@H]([NH+]2CCCC2)C1)c1ccc(Br)cc1 ZINC000110633193 655157891 /nfs/dbraw/zinc/15/78/91/655157891.db2.gz ZBFHCBQLSPQHSN-PBHICJAKSA-N 1 0 380.330 2.796 20 0 GFADRO CCc1c(C(=O)NC[C@@H]2CC[N@H+](C)C2)cnn1-c1ccc(Br)cc1 ZINC000110650496 655158345 /nfs/dbraw/zinc/15/83/45/655158345.db2.gz XUEMJWMAXYOMDF-ZDUSSCGKSA-N 1 0 391.313 2.879 20 0 GFADRO NC(=O)C1([NH2+]C[C@@H](O)c2ccc(Br)cc2)C2CC3CC(C2)CC1C3 ZINC000839198350 661075750 /nfs/dbraw/zinc/07/57/50/661075750.db2.gz MTMRWDKTCKKWTG-SHGVOIDZSA-N 1 0 393.325 2.752 20 0 GFADRO COCCn1cc(C[NH2+]C(C)(C)[C@H](O)c2ccc(Br)cc2)cn1 ZINC000273824827 655160000 /nfs/dbraw/zinc/16/00/00/655160000.db2.gz DPHLRMLHLUZHKP-MRXNPFEDSA-N 1 0 382.302 2.894 20 0 GFADRO CS[C@@H]1CN(C(=O)Nc2nnc(/C=C/c3ccco3)s2)C[C@H]1[NH+](C)C ZINC000273855450 655160942 /nfs/dbraw/zinc/16/09/42/655160942.db2.gz NUWXTQYYIGWZIF-AMRKSYTLSA-N 1 0 379.511 2.811 20 0 GFADRO Cn1c2ccc(Cl)cc2n(CN2CC[C@H](C[NH+]3CCOCC3)C2)c1=S ZINC000172935884 655161041 /nfs/dbraw/zinc/16/10/41/655161041.db2.gz PBVPSJBLKNQDIR-CQSZACIVSA-N 1 0 380.945 2.974 20 0 GFADRO C[C@@H]1C[C@@H](N(C)S(=O)(=O)c2ccc(F)cc2Br)CC[N@@H+]1C ZINC000173269239 655165920 /nfs/dbraw/zinc/16/59/20/655165920.db2.gz XKOXQGRIYJQJQD-PWSUYJOCSA-N 1 0 379.295 2.691 20 0 GFADRO C[C@@H]1C[C@H](N(C)S(=O)(=O)c2cc(Br)c(F)cc2F)CC[N@@H+]1C ZINC000173279026 655166832 /nfs/dbraw/zinc/16/68/32/655166832.db2.gz PIXICEBBDPNWQA-NXEZZACHSA-N 1 0 397.285 2.831 20 0 GFADRO CC[C@@H](C)C[N@H+](C)[C@@H](C)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000111253954 655167429 /nfs/dbraw/zinc/16/74/29/655167429.db2.gz KVJGCHOBQQDBGH-OLZOCXBDSA-N 1 0 389.949 2.895 20 0 GFADRO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NC[C@H](O)c1ccc(Cl)cc1Cl ZINC000173321254 655168184 /nfs/dbraw/zinc/16/81/84/655168184.db2.gz SWLZUTQNXGZCBY-IRXDYDNUSA-N 1 0 389.323 2.936 20 0 GFADRO O=C(CN1CCC([NH2+]C2CCCC2)CC1)Nc1ccc(Br)cn1 ZINC000111301232 655168282 /nfs/dbraw/zinc/16/82/82/655168282.db2.gz IIXQHJYNKQKKSB-UHFFFAOYSA-N 1 0 381.318 2.779 20 0 GFADRO CC[C@H](CO)[NH+]1CCN(CC(=O)Nc2cc(Cl)c(Cl)cc2Cl)CC1 ZINC000173742461 655178863 /nfs/dbraw/zinc/17/88/63/655178863.db2.gz KFPXNVZVWFJTPK-LLVKDONJSA-N 1 0 394.730 2.974 20 0 GFADRO NC(=O)c1ccsc1NC(=O)CC[NH2+][C@@H](CCO)c1ccc(Cl)cc1 ZINC000839603864 661095127 /nfs/dbraw/zinc/09/51/27/661095127.db2.gz IOKDBLMSOIIVKD-AWEZNQCLSA-N 1 0 381.885 2.542 20 0 GFADRO Brc1cc(C[NH2+]CCc2cn3c(n2)SCC3)cc2c1OCO2 ZINC000274226579 655180309 /nfs/dbraw/zinc/18/03/09/655180309.db2.gz CWMHSCFKXQYOPA-UHFFFAOYSA-N 1 0 382.283 2.812 20 0 GFADRO Brc1cc(C[NH2+]CCc2cn3c(n2)SCC3)cc2c1OCCO2 ZINC000274271572 655182870 /nfs/dbraw/zinc/18/28/70/655182870.db2.gz RJBZKLPLSTVCFO-UHFFFAOYSA-N 1 0 396.310 2.855 20 0 GFADRO COCCOCCOCCC[NH2+]Cc1cc(Br)cc2c1OCC2 ZINC000274457265 655189483 /nfs/dbraw/zinc/18/94/83/655189483.db2.gz WZYRDIXXTKTTLV-UHFFFAOYSA-N 1 0 388.302 2.543 20 0 GFADRO CC1CC[NH+](CCNS(=O)(=O)Cc2ccc(Br)cc2)CC1 ZINC000174003010 655189777 /nfs/dbraw/zinc/18/97/77/655189777.db2.gz PANXGWKGJFACBU-UHFFFAOYSA-N 1 0 375.332 2.600 20 0 GFADRO C[C@H](CN1CCN(C)CC1)[NH2+]Cc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000112374300 655190535 /nfs/dbraw/zinc/19/05/35/655190535.db2.gz LLGFBGIOSHTUSH-CQSZACIVSA-N 1 0 392.345 2.565 20 0 GFADRO O=C(Nc1ccc(Br)cn1)[C@H]1CCC[N@H+](CC2CCOCC2)C1 ZINC000112697070 655195344 /nfs/dbraw/zinc/19/53/44/655195344.db2.gz LTLXKCANLVULDM-AWEZNQCLSA-N 1 0 382.302 2.921 20 0 GFADRO CS(=O)(=O)CCCCC[NH2+]Cc1cn(-c2ccc(Cl)cc2Cl)nn1 ZINC000274749464 655199832 /nfs/dbraw/zinc/19/98/32/655199832.db2.gz MHOOJDAGAXNCJB-UHFFFAOYSA-N 1 0 391.324 2.879 20 0 GFADRO C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]CCCCCS(C)(=O)=O ZINC000274764460 655200552 /nfs/dbraw/zinc/20/05/52/655200552.db2.gz FNALGKPNZNEVTN-HNNXBMFYSA-N 1 0 388.961 2.882 20 0 GFADRO CS[C@H]1CN(C(=O)c2ccc(C)nc2Br)C[C@@H]1[NH+]1CCCC1 ZINC000274854021 655204505 /nfs/dbraw/zinc/20/45/05/655204505.db2.gz BJNFZALXRBHBPE-KBPBESRZSA-N 1 0 384.343 2.804 20 0 GFADRO Cc1nn(-c2ccc(F)cc2)c(Cl)c1C[NH2+]CC1(CS(C)(=O)=O)CC1 ZINC000174940078 655210918 /nfs/dbraw/zinc/21/09/18/655210918.db2.gz CCCIIFYYCFWMEF-UHFFFAOYSA-N 1 0 385.892 2.888 20 0 GFADRO CC(C)[NH+]1CCC(NC(=O)COc2ccc(C=O)cc2Br)CC1 ZINC000114217778 655218467 /nfs/dbraw/zinc/21/84/67/655218467.db2.gz YVPAABUVCQODLL-UHFFFAOYSA-N 1 0 383.286 2.629 20 0 GFADRO CS[C@H]1CN(C(=O)c2cn(C)nc2-c2cccs2)C[C@@H]1[NH+]1CCCC1 ZINC000275148775 655219684 /nfs/dbraw/zinc/21/96/84/655219684.db2.gz ROSCBBFJBHXMEA-HOCLYGCPSA-N 1 0 376.551 2.800 20 0 GFADRO C[NH+](C)C[C@H]1CCN(C(=O)[C@@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)C1 ZINC000114398885 655223275 /nfs/dbraw/zinc/22/32/75/655223275.db2.gz HHRXUVUMRLTHFE-OCCSQVGLSA-N 1 0 384.307 2.756 20 0 GFADRO CC(C)[NH+]1CCC(NC(=O)CN2CCc3ccc(Br)cc32)CC1 ZINC000114466271 655224531 /nfs/dbraw/zinc/22/45/31/655224531.db2.gz HOSRQGFQZHMWNK-UHFFFAOYSA-N 1 0 380.330 2.801 20 0 GFADRO C[NH+](C)CCN1CCN(C(=O)c2cnc(-c3ccccc3Cl)s2)CC1 ZINC000114676464 655226987 /nfs/dbraw/zinc/22/69/87/655226987.db2.gz JFKRCDYPOLKNRV-UHFFFAOYSA-N 1 0 378.929 2.783 20 0 GFADRO C[C@@H]([NH2+][C@H](c1nccn1C)c1ccc(Cl)cc1)C1CCS(=O)(=O)CC1 ZINC000275302723 655228240 /nfs/dbraw/zinc/22/82/40/655228240.db2.gz IHKZDWRSTBERNM-DYVFJYSZSA-N 1 0 381.929 2.966 20 0 GFADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2cncc(Br)c2)[C@H](C)C1 ZINC000115274188 655233688 /nfs/dbraw/zinc/23/36/88/655233688.db2.gz LSHVTEWDXHWOTK-CJNGLKHVSA-N 1 0 384.318 2.711 20 0 GFADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2ccc(Br)cn2)[C@H](C)C1 ZINC000115272770 655233695 /nfs/dbraw/zinc/23/36/95/655233695.db2.gz LPOIUBPMRIEGQV-HIFRSBDPSA-N 1 0 384.318 2.711 20 0 GFADRO C[N@H+](CCNC(=O)C(=O)Nc1c(F)cccc1Br)C1CCCC1 ZINC000176087537 655235009 /nfs/dbraw/zinc/23/50/09/655235009.db2.gz HNGKMSVKZVUZEX-UHFFFAOYSA-N 1 0 386.265 2.517 20 0 GFADRO CC(C)CN(C(=O)c1cc(I)c[nH]1)C1CC[NH+](C)CC1 ZINC000115384327 655236567 /nfs/dbraw/zinc/23/65/67/655236567.db2.gz LIDJKKHAMZZLAA-UHFFFAOYSA-N 1 0 389.281 2.812 20 0 GFADRO CSc1nnc(CNC(=O)NC2CC[NH+](Cc3ccccc3)CC2)s1 ZINC000275616707 655244051 /nfs/dbraw/zinc/24/40/51/655244051.db2.gz NUALWSKBEDCFLI-UHFFFAOYSA-N 1 0 377.539 2.724 20 0 GFADRO C[NH+](C)CC[C@@H](NC(=O)CCS(=O)(=O)c1ccc(Cl)cc1)C(C)(C)C ZINC000116130784 655244386 /nfs/dbraw/zinc/24/43/86/655244386.db2.gz IXKIODACRRCNPJ-MRXNPFEDSA-N 1 0 388.961 2.986 20 0 GFADRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)Nc1cccc(Br)c1 ZINC000275749362 655249576 /nfs/dbraw/zinc/24/95/76/655249576.db2.gz AZPWSMMJXHEXKW-GFCCVEGCSA-N 1 0 382.302 2.576 20 0 GFADRO C[NH+](C)CCN(Cc1cccs1)C(=O)NCc1ccc([S@](C)=O)cc1 ZINC000176584200 655249827 /nfs/dbraw/zinc/24/98/27/655249827.db2.gz UNPFFQLYZAELIF-VWLOTQADSA-N 1 0 379.551 2.759 20 0 GFADRO Cn1ccnc1CN(C(=O)c1cc(Cl)c(Cl)[nH]1)[C@H]1CC12CC[NH2+]CC2 ZINC000275788735 655251301 /nfs/dbraw/zinc/25/13/01/655251301.db2.gz UCLOLQVEHVWJCD-ZDUSSCGKSA-N 1 0 382.295 2.840 20 0 GFADRO CC(C)(C)[S@](=O)CCNC(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000116951822 655257456 /nfs/dbraw/zinc/25/74/56/655257456.db2.gz XFAKBGBZFBXHGT-BZQUYTCOSA-N 1 0 385.599 2.807 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000276098403 655262200 /nfs/dbraw/zinc/26/22/00/655262200.db2.gz QJAKFYBSHZTZPJ-BLLLJJGKSA-N 1 0 396.329 2.749 20 0 GFADRO CC[C@H](Cc1cccc(Br)c1)C(=O)NC[C@H](C)N1CC[NH+](C)CC1 ZINC000117259884 655262582 /nfs/dbraw/zinc/26/25/82/655262582.db2.gz VQRSZBWTMWDCAH-DOTOQJQBSA-N 1 0 396.373 2.770 20 0 GFADRO CN1CCN(C)[C@@H](C[NH2+][C@H](c2cccc(Br)c2)C2CCOCC2)C1 ZINC000276140119 655264341 /nfs/dbraw/zinc/26/43/41/655264341.db2.gz NGRPFOWKZNWZSR-OALUTQOASA-N 1 0 396.373 2.752 20 0 GFADRO Cc1cc(S(=O)(=O)N(Cc2ccco2)C2CC[NH+](C)CC2)cnc1Cl ZINC000117358882 655264739 /nfs/dbraw/zinc/26/47/39/655264739.db2.gz NTDJTZVXDVTDSP-UHFFFAOYSA-N 1 0 383.901 2.922 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)c2cc(Br)c3c(c2)OCCO3)C[N@@H+]1C1CC1 ZINC000177120692 655269299 /nfs/dbraw/zinc/26/92/99/655269299.db2.gz KJGOUAXOZWJAAO-ZYHUDNBSSA-N 1 0 381.270 2.575 20 0 GFADRO CCOC(=O)c1csc(CC[NH2+][C@@H](C)c2ccc(S(C)(=O)=O)cc2)n1 ZINC000276315727 655270944 /nfs/dbraw/zinc/27/09/44/655270944.db2.gz PGCMKICPSGKYRM-LBPRGKRZSA-N 1 0 382.507 2.617 20 0 GFADRO CC[N@H+](C)CCNC(=O)C[C@](O)(c1nc2ccccc2s1)C(F)(F)F ZINC000117982855 655270947 /nfs/dbraw/zinc/27/09/47/655270947.db2.gz OZWUSRCHSDQXJB-HNNXBMFYSA-N 1 0 375.416 2.504 20 0 GFADRO CC[N@H+](CCNC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1Cl)C1CC1 ZINC000118121404 655272173 /nfs/dbraw/zinc/27/21/73/655272173.db2.gz MXJZPNZZSHSVHL-UHFFFAOYSA-N 1 0 377.794 2.898 20 0 GFADRO Cc1cc(NC(=O)C(=O)NCC[N@@H+](C)C2CCCC2)ccc1Br ZINC000118131997 655272451 /nfs/dbraw/zinc/27/24/51/655272451.db2.gz ZFWHHVGUCOHDNR-UHFFFAOYSA-N 1 0 382.302 2.687 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)c2cc(=O)c3cc(Br)ccc3[nH]2)C1 ZINC000177503678 655278114 /nfs/dbraw/zinc/27/81/14/655278114.db2.gz XIAFVCBCCKJUAR-CHWSQXEVSA-N 1 0 392.297 2.893 20 0 GFADRO COc1ccsc1S(=O)(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000177515242 655278927 /nfs/dbraw/zinc/27/89/27/655278927.db2.gz OVTCQEUUZWAYOR-UHFFFAOYSA-N 1 0 380.535 2.742 20 0 GFADRO O=C(NCCC[NH+]1CCC(O)CC1)c1cc2ccc(Br)cc2[nH]1 ZINC000118723223 655281191 /nfs/dbraw/zinc/28/11/91/655281191.db2.gz GBGYETVAESBFGG-UHFFFAOYSA-N 1 0 380.286 2.507 20 0 GFADRO COCCCC(=O)NC1CC[NH+](CCOc2ccc(Br)cc2)CC1 ZINC000118746976 655281585 /nfs/dbraw/zinc/28/15/85/655281585.db2.gz QHEDMUVSYPJCMU-UHFFFAOYSA-N 1 0 399.329 2.835 20 0 GFADRO CC[NH+]1CCN([C@H]2CCN(CC(=O)Nc3cc(Cl)ccc3Cl)C2)CC1 ZINC000118834791 655282664 /nfs/dbraw/zinc/28/26/64/655282664.db2.gz QXSXOGLFYFSIHG-HNNXBMFYSA-N 1 0 385.339 2.644 20 0 GFADRO O=C(C[NH2+][C@H]1CCCOc2ccc(Br)cc21)NCC(F)(F)F ZINC000177904022 655290775 /nfs/dbraw/zinc/29/07/75/655290775.db2.gz OWFXJOHIQVOIJO-NSHDSACASA-N 1 0 381.192 2.931 20 0 GFADRO CC[NH+]1CCC(NC(=O)c2cc(I)c(F)cc2F)CC1 ZINC000119187324 655292318 /nfs/dbraw/zinc/29/23/18/655292318.db2.gz WEROYEBLDFXELE-UHFFFAOYSA-N 1 0 394.203 2.784 20 0 GFADRO CC(C)S(=O)(=O)CCC[NH2+][C@@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000276923262 655293533 /nfs/dbraw/zinc/29/35/33/655293533.db2.gz LHQQERATFUQHPD-WBVHZDCISA-N 1 0 390.908 2.554 20 0 GFADRO C[NH+](C)C1CCN(CCNC(=O)c2ccc(Br)c(Cl)c2)CC1 ZINC000119301367 655297714 /nfs/dbraw/zinc/29/77/14/655297714.db2.gz JREOCMLLWVRJFV-UHFFFAOYSA-N 1 0 388.737 2.858 20 0 GFADRO C[NH+](C)C1(C(=O)NC[C@H]2CCN(c3cccc(Br)c3)C2)CCC1 ZINC000119365710 655300917 /nfs/dbraw/zinc/30/09/17/655300917.db2.gz ZXLMVZWZMNIBFL-CQSZACIVSA-N 1 0 380.330 2.876 20 0 GFADRO C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CCN1CCOCC1(C)C ZINC000178597223 655305643 /nfs/dbraw/zinc/30/56/43/655305643.db2.gz CPZBRRNMWOVFFP-AWEZNQCLSA-N 1 0 398.345 2.867 20 0 GFADRO C[NH+](C)[C@@H]1CCCN(C(=O)CCN2C(=S)N=NC2c2cccs2)CC1 ZINC000277280070 655310750 /nfs/dbraw/zinc/31/07/50/655310750.db2.gz NFHARQUONLVNEK-CYBMUJFWSA-N 1 0 379.555 2.628 20 0 GFADRO COCCNS(=O)(=O)c1cccc(C[NH2+][C@@H]2CS[C@@H](C(C)(C)C)C2)c1 ZINC000277293929 655311654 /nfs/dbraw/zinc/31/16/54/655311654.db2.gz RLSFUBCRRUEISV-DOTOQJQBSA-N 1 0 386.583 2.621 20 0 GFADRO CC(C)C[C@@H](CNC(=O)C(=O)Nc1cc(Br)ccc1F)[NH+](C)C ZINC000119762053 655314158 /nfs/dbraw/zinc/31/41/58/655314158.db2.gz WKPSYJFECSVTEI-LBPRGKRZSA-N 1 0 388.281 2.619 20 0 GFADRO COC[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1)C1CC1 ZINC000119837431 655317801 /nfs/dbraw/zinc/31/78/01/655317801.db2.gz KMRNKZQQTQRAFE-KRWDZBQOSA-N 1 0 398.345 2.947 20 0 GFADRO C[C@@H]1C[N@H+](CCCNC(=O)Nc2nnc(-c3ccsc3)s2)CCCO1 ZINC000277432151 655319183 /nfs/dbraw/zinc/31/91/83/655319183.db2.gz JNRLCVSZLVPXTO-GFCCVEGCSA-N 1 0 381.527 2.889 20 0 GFADRO C[NH+](C)CCOc1ccc(CNC(=O)c2nc(Br)cs2)cc1 ZINC000120000157 655324423 /nfs/dbraw/zinc/32/44/23/655324423.db2.gz TWLLMOGTUKCUDP-UHFFFAOYSA-N 1 0 384.299 2.776 20 0 GFADRO CC(=O)c1cc(Br)ccc1OCC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000120070418 655326609 /nfs/dbraw/zinc/32/66/09/655326609.db2.gz QGWCNEACZMGGFA-UHFFFAOYSA-N 1 0 395.297 2.774 20 0 GFADRO O=C(NNc1cc[nH+]cc1)c1nn(-c2ccc(F)cc2)cc1Br ZINC000180475862 655327079 /nfs/dbraw/zinc/32/70/79/655327079.db2.gz CVVCQFYKMWHEMP-UHFFFAOYSA-N 1 0 376.189 2.926 20 0 GFADRO CCOc1cc(C#N)cc(Br)c1OCC(=O)NNc1cc[nH+]cc1 ZINC000180517705 655327630 /nfs/dbraw/zinc/32/76/30/655327630.db2.gz OYQLJOLLTRJIQC-UHFFFAOYSA-N 1 0 391.225 2.637 20 0 GFADRO COc1ccc(C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)nc1Br ZINC000180510564 655327735 /nfs/dbraw/zinc/32/77/35/655327735.db2.gz OGFUQOMKVJBBTG-AWEZNQCLSA-N 1 0 378.270 2.885 20 0 GFADRO O=C(C1CC[NH+](C2CC2)CC1)N(CCO)Cc1cc(Br)ccc1F ZINC000279901426 655328895 /nfs/dbraw/zinc/32/88/95/655328895.db2.gz OXTORQLFYOTFJV-UHFFFAOYSA-N 1 0 399.304 2.784 20 0 GFADRO C[C@@H]([NH2+]CC1(C)CCCC1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000180699747 655329454 /nfs/dbraw/zinc/32/94/54/655329454.db2.gz RLHBASCYDOYDGE-CQSZACIVSA-N 1 0 388.555 2.643 20 0 GFADRO C[C@H]([NH2+]CCCC(C)(C)C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000181091522 655332250 /nfs/dbraw/zinc/33/22/50/655332250.db2.gz XALKQMWWUKOYTD-AWEZNQCLSA-N 1 0 390.571 2.889 20 0 GFADRO COC(=O)Cc1csc(NC(=O)C[NH2+][C@@H](C)c2ccc(SC)cc2)n1 ZINC000281540259 655334683 /nfs/dbraw/zinc/33/46/83/655334683.db2.gz WTSVNMAXGSMJQR-NSHDSACASA-N 1 0 379.507 2.870 20 0 GFADRO CCOc1cc(Br)c(CC(=O)NCC2CC[NH2+]CC2)cc1OCC ZINC000120469784 655336644 /nfs/dbraw/zinc/33/66/44/655336644.db2.gz DFIFXFBHASPWSZ-UHFFFAOYSA-N 1 0 399.329 2.905 20 0 GFADRO C[N@H+](CCCNC(=O)C(=O)Nc1cccnc1Br)C1CCCCC1 ZINC000181447154 655337560 /nfs/dbraw/zinc/33/75/60/655337560.db2.gz XJQLHJGNNCROKN-UHFFFAOYSA-N 1 0 397.317 2.553 20 0 GFADRO O=S(=O)(C(F)F)N1CCC(C[NH2+][C@H](c2cncc(F)c2)C2CC2)CC1 ZINC000281826266 655338396 /nfs/dbraw/zinc/33/83/96/655338396.db2.gz ZZYTXYSICPBVFV-HNNXBMFYSA-N 1 0 377.432 2.526 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000120591237 655340004 /nfs/dbraw/zinc/34/00/04/655340004.db2.gz KPEZJSZLFGFHGW-UHFFFAOYSA-N 1 0 394.313 2.783 20 0 GFADRO O=C(Nc1ccccc1Br)C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000120613504 655340469 /nfs/dbraw/zinc/34/04/69/655340469.db2.gz VAZDRNNFHWYFIL-AWEZNQCLSA-N 1 0 394.313 2.865 20 0 GFADRO C[C@H](CCNC(=O)CN1C(=S)N=NC1c1cccs1)[NH+]1CCCCC1 ZINC000182247356 655343087 /nfs/dbraw/zinc/34/30/87/655343087.db2.gz YHDKRCMKQXDHAK-CYBMUJFWSA-N 1 0 379.555 2.676 20 0 GFADRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)NCc1ccc(O)c(Br)c1 ZINC000289237061 655344713 /nfs/dbraw/zinc/34/47/13/655344713.db2.gz OZXGDDSUJVZMHX-JSGCOSHPSA-N 1 0 382.302 2.923 20 0 GFADRO O=S1(=O)CCC([NH2+]Cc2ccc(I)c(Cl)c2)CC1 ZINC000291071967 655350328 /nfs/dbraw/zinc/35/03/28/655350328.db2.gz FKSKVBYKWAOKEM-UHFFFAOYSA-N 1 0 399.681 2.611 20 0 GFADRO CC(=O)N1CCC(N(Cc2cncs2)Cc2cnc(N(C)C)s2)CC1 ZINC000292704459 655353568 /nfs/dbraw/zinc/35/35/68/655353568.db2.gz CSBAYWCRQOMQDG-UHFFFAOYSA-N 1 0 379.555 2.679 20 0 GFADRO O[C@H](C[NH2+][C@@H]1CCOc2c(Br)cccc21)COCC(F)(F)F ZINC000292911097 655356886 /nfs/dbraw/zinc/35/68/86/655356886.db2.gz KTLYYUPWSDETRF-BXKDBHETSA-N 1 0 384.192 2.802 20 0 GFADRO C[NH+](C)CC1(CNC(=O)c2sccc2S(=O)(=O)C(F)F)CCCC1 ZINC000185903026 655366876 /nfs/dbraw/zinc/36/68/76/655366876.db2.gz KWMYJSIYAAXDRT-UHFFFAOYSA-N 1 0 380.482 2.596 20 0 GFADRO Cc1nc2sccn2c(=O)c1CC[N@@H+](C)[C@@H](CO)c1ccc(Cl)cc1 ZINC000296307721 655368680 /nfs/dbraw/zinc/36/86/80/655368680.db2.gz NYKMZAIPYIQIOI-INIZCTEOSA-N 1 0 377.897 2.926 20 0 GFADRO O=C(Nc1nc2cc(Br)ccn2n1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000297323100 655370095 /nfs/dbraw/zinc/37/00/95/655370095.db2.gz LSHLCQCPWCBTDT-CYBMUJFWSA-N 1 0 393.289 2.584 20 0 GFADRO Cc1ccc(-n2nc(Br)cc2C(=O)N[C@H]2C[NH2+]CC[C@H]2C)cc1 ZINC000186704937 655371147 /nfs/dbraw/zinc/37/11/47/655371147.db2.gz XUIGXIKPTNCTNF-OCCSQVGLSA-N 1 0 377.286 2.671 20 0 GFADRO C[N@@H+]1CC[C@@]2(CCN(CN3CC[C@@H](c4cccc(Br)c4)C3=O)C2)C1 ZINC000840075282 661129526 /nfs/dbraw/zinc/12/95/26/661129526.db2.gz LIMZYEBSMJCJHK-PKOBYXMFSA-N 1 0 392.341 2.750 20 0 GFADRO C[C@]([NH2+]C[C@H](O)c1ccc(F)c(Br)c1)(C(N)=O)c1ccccc1 ZINC000187222128 655373103 /nfs/dbraw/zinc/37/31/03/655373103.db2.gz STOUEOAJKFBDFI-DOTOQJQBSA-N 1 0 381.245 2.612 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)NCCCNC(=O)c1cccs1)c1ccsc1 ZINC000299476562 655376616 /nfs/dbraw/zinc/37/66/16/655376616.db2.gz BIFYYTPOXAAGES-AWEZNQCLSA-N 1 0 380.539 2.532 20 0 GFADRO CC(C)(C)OC(=O)NC[C@@H]1CCC[C@H]1[NH2+]CCn1cc(Br)cn1 ZINC000309891053 655379046 /nfs/dbraw/zinc/37/90/46/655379046.db2.gz MJGCUUDXMAZRTE-GXTWGEPZSA-N 1 0 387.322 2.929 20 0 GFADRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1Cn1ncc2c1cccc2Br ZINC000188852774 655382364 /nfs/dbraw/zinc/38/23/64/655382364.db2.gz IXSVDYGFLFWZCT-ZDUSSCGKSA-N 1 0 381.318 2.533 20 0 GFADRO OC1CCN(CC[NH2+]Cc2cc(Br)c(Br)s2)CC1 ZINC000321822591 655382874 /nfs/dbraw/zinc/38/28/74/655382874.db2.gz OGNPVLSKOANNJQ-UHFFFAOYSA-N 1 0 398.164 2.819 20 0 GFADRO CCNS(=O)(=O)CC[NH2+]Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000326538120 655385013 /nfs/dbraw/zinc/38/50/13/655385013.db2.gz SOZRWVNLFDLYQP-UHFFFAOYSA-N 1 0 378.338 2.753 20 0 GFADRO C[N@H+](CCCNS(=O)(=O)c1c(Cl)nc2ccccn21)C1CCCCC1 ZINC000327120215 655385655 /nfs/dbraw/zinc/38/56/55/655385655.db2.gz OCAWLXXUQBFCLR-UHFFFAOYSA-N 1 0 384.933 2.921 20 0 GFADRO CCC(CC)[C@H](CNS(=O)(=O)c1cc(C)c(F)c([N+](=O)[O-])c1)[NH+](C)C ZINC000327482826 655386216 /nfs/dbraw/zinc/38/62/16/655386216.db2.gz JYTNVGBKYDTHFG-HNNXBMFYSA-N 1 0 375.466 2.687 20 0 GFADRO Cc1nc(S(=O)(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)sc1Br ZINC000329135055 655387377 /nfs/dbraw/zinc/38/73/77/655387377.db2.gz GEBKRXFZOMLEGG-NSHDSACASA-N 1 0 396.376 2.709 20 0 GFADRO Cc1nc(C(=O)N2CC[C@]3(CCC[NH2+]3)C2)nn1-c1c(Cl)cccc1Cl ZINC000333873327 655388218 /nfs/dbraw/zinc/38/82/18/655388218.db2.gz UXNQRWPKQUHQGV-QGZVFWFLSA-N 1 0 380.279 2.851 20 0 GFADRO CCS[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1sc2c(c1C(N)=O)CCC2 ZINC000190025070 655389614 /nfs/dbraw/zinc/38/96/14/655389614.db2.gz VENTVFPRYDHTPL-TZMCWYRMSA-N 1 0 381.567 2.928 20 0 GFADRO C[C@@H](CN1C(=O)CN(Cc2cccc(Br)c2)C1=O)[N@H+](C)C1CC1 ZINC000349366809 655389630 /nfs/dbraw/zinc/38/96/30/655389630.db2.gz NLETZXKHHUGSFN-LBPRGKRZSA-N 1 0 380.286 2.696 20 0 GFADRO COCCC[N@H+](C)CCN1C(=O)N[C@@](C)(c2ccc(Cl)c(Cl)c2)C1=O ZINC000349393820 655390133 /nfs/dbraw/zinc/39/01/33/655390133.db2.gz HERMWBOCDWDVNZ-KRWDZBQOSA-N 1 0 388.295 2.729 20 0 GFADRO O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)c1cccnc1SC(F)(F)F ZINC000366190713 655399590 /nfs/dbraw/zinc/39/95/90/655399590.db2.gz CTKHTGLXRWJOPY-LBPRGKRZSA-N 1 0 375.416 2.677 20 0 GFADRO CCCS(=O)(=O)CC[NH2+][C@H]1CCN(CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000374763387 655401905 /nfs/dbraw/zinc/40/19/05/655401905.db2.gz FSNWRPWGSDAVRQ-DOTOQJQBSA-N 1 0 378.460 2.654 20 0 GFADRO C[N@@H+]1CC[C@H]2[C@H](CCCN2Cn2c(=O)oc3cc(F)c(Br)cc32)C1 ZINC000192162701 655403083 /nfs/dbraw/zinc/40/30/83/655403083.db2.gz MEWDZJOJTLAFKJ-RISCZKNCSA-N 1 0 398.276 2.870 20 0 GFADRO COCCN(Cc1sccc1Br)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000418322925 655405407 /nfs/dbraw/zinc/40/54/07/655405407.db2.gz TYYPQOTUBFCFFZ-LBPRGKRZSA-N 1 0 390.347 2.668 20 0 GFADRO COc1ccc(Br)cc1CN(C)C(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000418342441 655405544 /nfs/dbraw/zinc/40/55/44/655405544.db2.gz MYPKRYQRZKLTQL-CHWSQXEVSA-N 1 0 384.318 2.987 20 0 GFADRO O=C(NCC[C@@H]1CCC[NH2+]C1)N[C@H](CCO)c1ccccc1Br ZINC000418337158 655405625 /nfs/dbraw/zinc/40/56/25/655405625.db2.gz BFXQOABRHIMZND-XJKSGUPXSA-N 1 0 384.318 2.562 20 0 GFADRO CCC[NH2+]CCNS(=O)(=O)c1ccc(Br)cc1C(F)(F)F ZINC000193346759 655409710 /nfs/dbraw/zinc/40/97/10/655409710.db2.gz TZIDVFCTLZGZLN-UHFFFAOYSA-N 1 0 389.237 2.746 20 0 GFADRO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1cc2c(ccc(F)c2Br)[nH]1 ZINC000450229956 655410713 /nfs/dbraw/zinc/41/07/13/655410713.db2.gz FJBIUFWYBSMZEB-NSHDSACASA-N 1 0 398.276 2.646 20 0 GFADRO CCN(CC)S(=O)(=O)c1ccc(CC[NH2+][C@H]2C[C@@H](OC)C23CCC3)s1 ZINC000453105856 655411527 /nfs/dbraw/zinc/41/15/27/655411527.db2.gz HXIXLWVHSDNAOA-JKSUJKDBSA-N 1 0 386.583 2.868 20 0 GFADRO CCN(CC)S(=O)(=O)c1ccc(CC[NH2+][C@H]2C[C@H](OC)C23CCC3)s1 ZINC000453105854 655411538 /nfs/dbraw/zinc/41/15/38/655411538.db2.gz HXIXLWVHSDNAOA-HOTGVXAUSA-N 1 0 386.583 2.868 20 0 GFADRO O=C1c2cc(Br)ccc2CN1C[N@H+]1CCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000840119630 661136314 /nfs/dbraw/zinc/13/63/14/661136314.db2.gz IABBQJDGSPRZKE-OIISXLGYSA-N 1 0 379.298 2.988 20 0 GFADRO CC[NH+](CC)[C@@H]1CCN(S(=O)(=O)c2ccc(OCC(F)(F)F)cc2)C1 ZINC000462666899 655413876 /nfs/dbraw/zinc/41/38/76/655413876.db2.gz OOCWWLIGQQNIOC-CYBMUJFWSA-N 1 0 380.432 2.733 20 0 GFADRO CS(=O)(=O)N[C@H]1CCCC[C@H]1C[NH2+]Cc1sccc1Br ZINC000512895331 655418016 /nfs/dbraw/zinc/41/80/16/655418016.db2.gz OLPGDOAMFAHKCR-JQWIXIFHSA-N 1 0 381.361 2.708 20 0 GFADRO O[C@@H](C[NH2+]CC1(CF)CCOCC1)COc1ccc(Br)cc1 ZINC000517926837 655419397 /nfs/dbraw/zinc/41/93/97/655419397.db2.gz UKZMZZRURKBHBX-AWEZNQCLSA-N 1 0 376.266 2.545 20 0 GFADRO CC(C)C(=O)NCCC[NH2+]Cc1ncc(Br)cc1Br ZINC000541589202 655421212 /nfs/dbraw/zinc/42/12/12/655421212.db2.gz YSWXOWWSBNHDBQ-UHFFFAOYSA-N 1 0 393.123 2.859 20 0 GFADRO [NH3+][C@@H](Cc1ccccc1)[C@@H](O)CN[C@@H]1CCOc2ccc(Br)cc21 ZINC000214692121 655421744 /nfs/dbraw/zinc/42/17/44/655421744.db2.gz OTFWFXXCJSLFTQ-KSZLIROESA-N 1 0 391.309 2.793 20 0 GFADRO CC[NH+]1CCN(C[C@@H](C)CNS(=O)(=O)/C=C\c2ccc(Cl)cc2)CC1 ZINC000221870532 655422000 /nfs/dbraw/zinc/42/20/00/655422000.db2.gz WZIHDXRJQUXUGJ-RQPMMQJISA-N 1 0 385.961 2.504 20 0 GFADRO CCN(CC)C(=O)CNCc1ncc(Br)cc1Br ZINC000228795442 655423187 /nfs/dbraw/zinc/42/31/87/655423187.db2.gz SCYUGJWCRISVBO-UHFFFAOYSA-N 1 0 379.096 2.565 20 0 GFADRO O=C(NCC[C@@H]1CC[NH2+]C1)c1ccc(Br)cc1Br ZINC000232484514 655423786 /nfs/dbraw/zinc/42/37/86/655423786.db2.gz ZXOXKHHESKRQMO-VIFPVBQESA-N 1 0 376.092 2.941 20 0 GFADRO CC(C)C[C@](C)(C[NH3+])NC(=O)CN1C(=S)N=NC1c1ccc(Cl)cc1 ZINC000236689636 655424758 /nfs/dbraw/zinc/42/47/58/655424758.db2.gz GMOWAZCOFDWGDF-QGZVFWFLSA-N 1 0 381.933 2.767 20 0 GFADRO CN(C(=O)CCNC(=O)Nc1ccc(Br)cc1)C1CCC([NH3+])CC1 ZINC000237202269 655425834 /nfs/dbraw/zinc/42/58/34/655425834.db2.gz RVEXMYSEJGLLFW-UHFFFAOYSA-N 1 0 397.317 2.689 20 0 GFADRO CN(C(=O)[C@@H]1CCN(c2ccccc2Br)C1=O)C1CCC([NH3+])CC1 ZINC000237225112 655425924 /nfs/dbraw/zinc/42/59/24/655425924.db2.gz WEXRZWLVUZRUTI-RUXDESIVSA-N 1 0 394.313 2.530 20 0 GFADRO [NH3+]CCCOC1CCN(S(=O)(=O)c2ccc(SC(F)(F)F)cc2)CC1 ZINC000237828591 655426684 /nfs/dbraw/zinc/42/66/84/655426684.db2.gz PLWIUDCUYJASMP-UHFFFAOYSA-N 1 0 398.472 2.817 20 0 GFADRO [NH3+][C@@H](CNC(=O)c1ccc(NC(=O)CSc2cccs2)cc1)C1CC1 ZINC000238040472 655426977 /nfs/dbraw/zinc/42/69/77/655426977.db2.gz JGTPQEAZGOKHDL-HNNXBMFYSA-N 1 0 375.519 2.946 20 0 GFADRO CCOC[C@H]1CCCN(CN2C(=O)N[C@@](C)(c3ccc(Cl)s3)C2=O)C1 ZINC000246327191 655429746 /nfs/dbraw/zinc/42/97/46/655429746.db2.gz HOZMTHZTHOZCER-SJCJKPOMSA-N 1 0 385.917 2.875 20 0 GFADRO C[C@@H]([NH2+][C@@H]1CCC[C@@H](C)C1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000246970476 655430898 /nfs/dbraw/zinc/43/08/98/655430898.db2.gz JCROZLHBTNAPEF-IIAWOOMASA-N 1 0 388.555 2.642 20 0 GFADRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N[C@@H](C)c1ncc(Br)cn1 ZINC000574953567 655433728 /nfs/dbraw/zinc/43/37/28/655433728.db2.gz RKRUXLIXNMHKQG-CRWXNKLISA-N 1 0 398.349 2.966 20 0 GFADRO C[N@@H+]1CCC[C@@H]2CN(Cc3cn(-c4ccccc4Br)nn3)CC[C@H]21 ZINC000575034832 655434509 /nfs/dbraw/zinc/43/45/09/655434509.db2.gz DKFJPNQMGOQCQE-RHSMWYFYSA-N 1 0 390.329 2.946 20 0 GFADRO C[C@@H]1C[NH2+][C@@H](C)CN1S(=O)(=O)Cc1cc(Cl)ccc1Br ZINC000575058858 655434890 /nfs/dbraw/zinc/43/48/90/655434890.db2.gz ZSMVSWUNXMXKLU-VHSXEESVSA-N 1 0 381.723 2.615 20 0 GFADRO CC(=O)N1CCC[C@@H](C[NH2+]C[C@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000575117278 655435979 /nfs/dbraw/zinc/43/59/79/655435979.db2.gz DCVQMJAJUUAWEN-ZFWWWQNUSA-N 1 0 375.296 2.581 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+]C[C@H]2CC[C@@H](c3ccccc3)O2)cc1Cl ZINC000575160241 655436564 /nfs/dbraw/zinc/43/65/64/655436564.db2.gz CTQQSJGQZGPUPC-WBVHZDCISA-N 1 0 380.897 2.997 20 0 GFADRO O[C@H](C[NH2+]C[C@@H](O)Cc1ccccc1)COc1cc(F)cc(Br)c1 ZINC000575803407 655437385 /nfs/dbraw/zinc/43/73/85/655437385.db2.gz MHKNSYPWAXMJJN-DLBZAZTESA-N 1 0 398.272 2.521 20 0 GFADRO C[NH2+]CC1CCN(S(=O)(=O)c2c(Cl)cccc2Br)CC1 ZINC000261748091 655442218 /nfs/dbraw/zinc/44/22/18/655442218.db2.gz MRWJOCVTLGCJRP-UHFFFAOYSA-N 1 0 381.723 2.723 20 0 GFADRO CCOc1cc(Br)c(CC(=O)N2C[C@@H](C[NH3+])C[C@@H]2C)cc1OCC ZINC000261829203 655442494 /nfs/dbraw/zinc/44/24/94/655442494.db2.gz OECIFMNPJIMVDP-QWHCGFSZSA-N 1 0 399.329 2.985 20 0 GFADRO O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1sccc1SC(F)F ZINC000261908069 655442847 /nfs/dbraw/zinc/44/28/47/655442847.db2.gz SMVUDYBHAWEZCY-SECBINFHSA-N 1 0 389.415 2.629 20 0 GFADRO [NH3+]CCN(CCc1ccccc1)S(=O)(=O)c1cccc(Br)c1 ZINC000261940797 655442919 /nfs/dbraw/zinc/44/29/19/655442919.db2.gz DQARYVJAUYZASU-UHFFFAOYSA-N 1 0 383.311 2.641 20 0 GFADRO O=C(NCC1C[NH2+]C1)c1ccccc1OCc1ccc(Br)cc1 ZINC000261936903 655442967 /nfs/dbraw/zinc/44/29/67/655442967.db2.gz FMWVNXRGSYVNHP-UHFFFAOYSA-N 1 0 375.266 2.977 20 0 GFADRO CCOc1cc(C[NH2+]CC2CCN(S(=O)(=O)CC)CC2)cc(Cl)c1O ZINC000576123134 655443939 /nfs/dbraw/zinc/44/39/39/655443939.db2.gz FYPKGRVVKGDSEL-UHFFFAOYSA-N 1 0 390.933 2.596 20 0 GFADRO CCCCOC[C@@H](O)C[NH2+][C@@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000576150796 655444424 /nfs/dbraw/zinc/44/44/24/655444424.db2.gz YVKULPLSDDJWGW-DZGCQCFKSA-N 1 0 375.296 2.866 20 0 GFADRO CC[C@H](C)Sc1ccc(NC(=O)C2(S(C)(=O)=O)CC[NH2+]CC2)c(C)c1 ZINC000576163183 655444831 /nfs/dbraw/zinc/44/48/31/655444831.db2.gz CNELYXYCBUAFHA-AWEZNQCLSA-N 1 0 384.567 2.991 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+][C@@H]2C[C@@H]2Cc2ccccc2)cc1Br ZINC000576368208 655446081 /nfs/dbraw/zinc/44/60/81/655446081.db2.gz GAPASAABWJJPIN-GOEBONIOSA-N 1 0 395.322 2.817 20 0 GFADRO O=C(NCc1ccc(Cl)cc1Cl)Nc1cnc(N2CC[NH2+]CC2)nc1 ZINC000576371728 655446174 /nfs/dbraw/zinc/44/61/74/655446174.db2.gz FDSFWNRVQSWQFG-UHFFFAOYSA-N 1 0 381.267 2.515 20 0 GFADRO Cc1c(Br)ccnc1NC(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000576728795 655451794 /nfs/dbraw/zinc/45/17/94/655451794.db2.gz BEGKSBMQBINAQR-CQSZACIVSA-N 1 0 397.317 2.729 20 0 GFADRO O[C@H](C[NH2+][C@H]1CCC[C@H]2C[C@H]21)COc1ccc(I)cc1 ZINC000576840349 655452735 /nfs/dbraw/zinc/45/27/35/655452735.db2.gz UIRZZKBJRVLLQR-ZCDTZLGTSA-N 1 0 387.261 2.809 20 0 GFADRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)NCc1cnn(-c2ccc(Br)cc2)c1 ZINC000576872181 655453638 /nfs/dbraw/zinc/45/36/38/655453638.db2.gz YBGPUIXWIFUIKC-VXGBXAGGSA-N 1 0 380.290 2.560 20 0 GFADRO C[C@@H]1CSc2ccc(Br)cc2[C@@H]1[NH2+]CCCn1cc(CO)nn1 ZINC000577029306 655456362 /nfs/dbraw/zinc/45/63/62/655456362.db2.gz ZSXDSCWRCRKXFO-BDJLRTHQSA-N 1 0 397.342 2.996 20 0 GFADRO Brc1cnn(CC[NH2+]Cc2cn3ccc(Br)cc3n2)c1 ZINC000577029297 655456461 /nfs/dbraw/zinc/45/64/61/655456461.db2.gz YZTHQJDJNGDDII-UHFFFAOYSA-N 1 0 399.090 2.846 20 0 GFADRO C[C@@H](NC(=O)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)[C@H](C)[NH3+] ZINC000577372464 655458032 /nfs/dbraw/zinc/45/80/32/655458032.db2.gz BQQZWKMSHNDBLT-VHSXEESVSA-N 1 0 378.826 2.822 20 0 GFADRO CCNC(=O)C1(C[NH2+]C[C@H](O)COc2cc(Cl)ccc2Cl)CCC1 ZINC000577484742 655460723 /nfs/dbraw/zinc/46/07/23/655460723.db2.gz VKCNZFNYHQUUTR-ZDUSSCGKSA-N 1 0 375.296 2.629 20 0 GFADRO CNC(=O)CCC[N@H+](C)Cc1cccc(Br)c1OC[C@H]1CCCO1 ZINC000577505594 655461163 /nfs/dbraw/zinc/46/11/63/655461163.db2.gz GBBPODXSRYTPBP-OAHLLOKOSA-N 1 0 399.329 2.965 20 0 GFADRO NC(=O)[C@@]1(c2ccccc2)CC[N@H+](Cn2ncc3c2cccc3Br)C1 ZINC000840178598 661144241 /nfs/dbraw/zinc/14/42/41/661144241.db2.gz OXBWTEBGUWHDSJ-IBGZPJMESA-N 1 0 399.292 2.885 20 0 GFADRO CC(C)Oc1cc(Br)ccc1C(=O)N[C@H](C)CN1CC[NH+](C)CC1 ZINC000264376221 655462162 /nfs/dbraw/zinc/46/21/62/655462162.db2.gz FTLIERFGZSVSQN-CQSZACIVSA-N 1 0 398.345 2.602 20 0 GFADRO CN(C(=O)CCOC1C[NH2+]C1)[C@H]1CCSc2ccc(Br)cc21 ZINC000577721011 655465695 /nfs/dbraw/zinc/46/56/95/655465695.db2.gz SOCWSRLFVZPPIR-AWEZNQCLSA-N 1 0 385.327 2.823 20 0 GFADRO C[NH+](C)C/C=C/C(=O)NCC1(c2cccc(Br)c2)CCOCC1 ZINC000264665149 655468206 /nfs/dbraw/zinc/46/82/06/655468206.db2.gz WWJRRRIMCGPBET-QPJJXVBHSA-N 1 0 381.314 2.731 20 0 GFADRO O=C(Cc1ccc(I)cc1)N1CCC2(CC[NH2+]CC2)CC1 ZINC000577841479 655468257 /nfs/dbraw/zinc/46/82/57/655468257.db2.gz QNGXFWXPOSYIOR-UHFFFAOYSA-N 1 0 398.288 2.826 20 0 GFADRO CC(C)C[C@@H](C[NH3+])NS(=O)(=O)Cc1ccc(Cl)cc1Br ZINC000577849090 655468542 /nfs/dbraw/zinc/46/85/42/655468542.db2.gz WIZDUIHBICMIFL-LBPRGKRZSA-N 1 0 383.739 2.895 20 0 GFADRO CC(C)[NH+]1CCC(N(C)C(=O)c2cc(I)c[nH]2)CC1 ZINC000265232212 655479385 /nfs/dbraw/zinc/47/93/85/655479385.db2.gz OTAKHHUVMPMRDY-UHFFFAOYSA-N 1 0 375.254 2.564 20 0 GFADRO [NH3+]CCC1CCN(S(=O)(=O)Cc2cc(Cl)ccc2Br)CC1 ZINC000578199172 655473969 /nfs/dbraw/zinc/47/39/69/655473969.db2.gz YIFWREYALFIHJN-UHFFFAOYSA-N 1 0 395.750 2.993 20 0 GFADRO O=C(Nc1cc2c(cc1Br)NC(=O)CO2)c1ccc2c[nH+]cn2c1 ZINC000578308566 655476222 /nfs/dbraw/zinc/47/62/22/655476222.db2.gz CJHJARBLIFLMFR-UHFFFAOYSA-N 1 0 387.193 2.680 20 0 GFADRO CCC(CC)CS(=O)(=O)N(C[C@@H](O)CC(C)(C)C)C1CC[NH+](C)CC1 ZINC000578470897 655479749 /nfs/dbraw/zinc/47/97/49/655479749.db2.gz XORUUVGXMKBSBS-SFHVURJKSA-N 1 0 376.607 2.946 20 0 GFADRO Brc1ccc(C[N@@H+]2CC[C@@H]3OCC[C@@H]3C2)c(N2CCOCC2)c1 ZINC000578508051 655480687 /nfs/dbraw/zinc/48/06/87/655480687.db2.gz NKUMHOUIZNVPRW-QAPCUYQASA-N 1 0 381.314 2.897 20 0 GFADRO C[NH+](C)CCOc1ccc(NC(=O)CS(=O)(=O)C2CCCC2)cc1Cl ZINC000265339284 655481600 /nfs/dbraw/zinc/48/16/00/655481600.db2.gz HSXMQRRQXUDUSG-UHFFFAOYSA-N 1 0 388.917 2.576 20 0 GFADRO Brc1cnc(Sc2nnc(C3CC[NH2+]CC3)n2C2CC2)nc1 ZINC000265466892 655483873 /nfs/dbraw/zinc/48/38/73/655483873.db2.gz OJKXVXXKBOXTJF-UHFFFAOYSA-N 1 0 381.303 2.784 20 0 GFADRO C[NH2+][C@@H]1CCCN(C(=O)Nc2ccc(I)cc2F)C1 ZINC000578669851 655484297 /nfs/dbraw/zinc/48/42/97/655484297.db2.gz USOXLWUFVRBPJK-SNVBAGLBSA-N 1 0 377.201 2.646 20 0 GFADRO O[C@@H](CN1CC[NH+](CC2CCOCC2)CC1)c1ccc(Br)cc1 ZINC000265510285 655484799 /nfs/dbraw/zinc/48/47/99/655484799.db2.gz PAFFQAMGOPIECT-SFHVURJKSA-N 1 0 383.330 2.527 20 0 GFADRO CC[NH+](CC)CCS(=O)(=O)N[C@H](C)c1ccc(Br)cc1OC ZINC000578700868 655484884 /nfs/dbraw/zinc/48/48/84/655484884.db2.gz LAWQWXPNHVOUEF-GFCCVEGCSA-N 1 0 393.347 2.780 20 0 GFADRO C[C@@H](CCc1ccc(I)cc1)[NH2+]CCN1CCCC1=O ZINC000579363626 655498358 /nfs/dbraw/zinc/49/83/58/655498358.db2.gz ZPQYLWXZYRCEOV-ZDUSSCGKSA-N 1 0 386.277 2.824 20 0 GFADRO COCCN(Cc1sccc1Br)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC000579729429 655503222 /nfs/dbraw/zinc/50/32/22/655503222.db2.gz HFEKRMXLUNWDOR-GFCCVEGCSA-N 1 0 375.332 2.827 20 0 GFADRO O=S(=O)(CC[NH2+]CCOc1ccc(Br)cc1)c1ccccc1 ZINC000579827408 655504451 /nfs/dbraw/zinc/50/44/51/655504451.db2.gz NFTSOLZGJCHPLV-UHFFFAOYSA-N 1 0 384.295 2.891 20 0 GFADRO [NH3+]C1C[C@H]2CC[C@@H](C1)C2NS(=O)(=O)c1cc(Br)sc1Cl ZINC000580073296 655507951 /nfs/dbraw/zinc/50/79/51/655507951.db2.gz GIPQMYFRQGHSFB-MHMPNKDASA-N 1 0 399.763 2.958 20 0 GFADRO CCCC[N@H+](C)C[C@@H](C)NC(=O)C(=O)Nc1ccc(C)c(Br)c1 ZINC000580137878 655508912 /nfs/dbraw/zinc/50/89/12/655508912.db2.gz SQNQHABGFRUHHH-CYBMUJFWSA-N 1 0 384.318 2.933 20 0 GFADRO CC(C)[N@H+](C)C[C@H](C)NC(=O)C1(c2cccc(Br)c2)CC(=O)C1 ZINC000580265205 655510559 /nfs/dbraw/zinc/51/05/59/655510559.db2.gz IVGFCVULHDMGIW-ZDUSSCGKSA-N 1 0 381.314 2.895 20 0 GFADRO CS[C@H]1CN(c2nnc3ccc(Br)cn32)C[C@H]1[NH+]1CCCC1 ZINC000596197081 655514877 /nfs/dbraw/zinc/51/48/77/655514877.db2.gz QGRSBRJVGCFMPP-OLZOCXBDSA-N 1 0 382.331 2.508 20 0 GFADRO CS[C@@H]1CN(C(=O)c2cncc(Br)c2C)C[C@H]1[NH+]1CCCC1 ZINC000597511284 655521082 /nfs/dbraw/zinc/52/10/82/655521082.db2.gz XVOOFOXCFOEZIA-HUUCEWRRSA-N 1 0 384.343 2.804 20 0 GFADRO Cc1cc(S(=O)(=O)N2CCC([NH+]3CCC3)CC2)sc1Br ZINC000700414222 655521503 /nfs/dbraw/zinc/52/15/03/655521503.db2.gz OFXKTNMDPDGPII-UHFFFAOYSA-N 1 0 379.345 2.678 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)c2ccc(I)cc2)C[C@@H]1C(F)(F)F ZINC000720817770 655524784 /nfs/dbraw/zinc/52/47/84/655524784.db2.gz SDAHGMJJWYBHCX-ONGXEEELSA-N 1 0 398.166 2.500 20 0 GFADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)/C=C\c1ccc(C)cc1Br ZINC000727864836 655550313 /nfs/dbraw/zinc/55/03/13/655550313.db2.gz CILVLUFAIZTAIC-XITLMJRVSA-N 1 0 381.314 2.998 20 0 GFADRO Cn1nc(Br)c2c1ncnc2N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000728049293 655551891 /nfs/dbraw/zinc/55/18/91/655551891.db2.gz MVUWYMGISOYAEO-CYBMUJFWSA-N 1 0 387.285 2.812 20 0 GFADRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(c2ncnc3c2c(Br)nn3C)C1 ZINC000728051052 655551987 /nfs/dbraw/zinc/55/19/87/655551987.db2.gz YRUIQBKBXQAOFI-UPJWGTAASA-N 1 0 393.333 2.967 20 0 GFADRO COc1cc(C[NH2+]C[C@H](O)c2ccc(Br)cc2)ccc1OCCO ZINC000728942945 655560444 /nfs/dbraw/zinc/56/04/44/655560444.db2.gz SSKYMPGHBJBFIR-INIZCTEOSA-N 1 0 396.281 2.652 20 0 GFADRO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)/C=C/c2ccc(Br)o2)CC1 ZINC000730563125 655576573 /nfs/dbraw/zinc/57/65/73/655576573.db2.gz SRPLLPBHDVAZRZ-VFADXPBXSA-N 1 0 396.329 2.684 20 0 GFADRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNS(=O)(=O)c1c(Cl)nc2sccn21 ZINC000730814101 655578360 /nfs/dbraw/zinc/57/83/60/655578360.db2.gz HUEKXUVXPYCIAB-PHIMTYICSA-N 1 0 376.935 2.590 20 0 GFADRO O=C(CN1CCSC1=O)NC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC000731595122 655584898 /nfs/dbraw/zinc/58/48/98/655584898.db2.gz WXUZONTWKZDAJT-MRXNPFEDSA-N 1 0 381.929 2.980 20 0 GFADRO O=C1CCCN1C[C@@H]1CCCC[N@H+]1C[C@H](O)c1ccc(Br)cc1 ZINC000732212441 655592791 /nfs/dbraw/zinc/59/27/91/655592791.db2.gz YTJNCYXCXCZKQV-IRXDYDNUSA-N 1 0 381.314 2.959 20 0 GFADRO CC[N@H+](CC1CC1)CN1C(=O)N[C@](C)(c2ccccc2Br)C1=O ZINC000732662892 655599790 /nfs/dbraw/zinc/59/97/90/655599790.db2.gz CRPPEUROGNIVHC-QGZVFWFLSA-N 1 0 380.286 2.906 20 0 GFADRO O=C(NCCN1CCSCC1)[C@H]1CC(c2ccc(Cl)cc2Cl)=NO1 ZINC000732777656 655601502 /nfs/dbraw/zinc/60/15/02/655601502.db2.gz UMIJKGOKRYXXID-OAHLLOKOSA-N 1 0 388.320 2.651 20 0 GFADRO CC(C)[C@H](C[NH+](C)C)NC(=O)Cc1csc(NC(=O)c2cccs2)n1 ZINC000733163980 655608564 /nfs/dbraw/zinc/60/85/64/655608564.db2.gz JCQUZAKILWHCFE-ZDUSSCGKSA-N 1 0 380.539 2.702 20 0 GFADRO O=S(=O)(/C=C/c1ccc(Cl)cc1)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000734243383 655628423 /nfs/dbraw/zinc/62/84/23/655628423.db2.gz FTZOGOPVCRBRGZ-FHLIRTJZSA-N 1 0 384.929 2.874 20 0 GFADRO O=S(=O)(/C=C\c1ccccc1Cl)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000734243476 655628508 /nfs/dbraw/zinc/62/85/08/655628508.db2.gz KDBVWPUYOAJLQI-HOFZKYPUSA-N 1 0 384.929 2.874 20 0 GFADRO O=S(=O)(/C=C/c1ccccc1Cl)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000734243477 655628527 /nfs/dbraw/zinc/62/85/27/655628527.db2.gz KDBVWPUYOAJLQI-JZUUQJBKSA-N 1 0 384.929 2.874 20 0 GFADRO CC[C@H](NC(=S)N1CCN(C(=O)C[NH+](CC)CC)CC1)c1cccs1 ZINC000734378170 655630077 /nfs/dbraw/zinc/63/00/77/655630077.db2.gz NXUXGMXCCQHZDN-HNNXBMFYSA-N 1 0 382.599 2.560 20 0 GFADRO COC(=O)c1ccc(Cl)c(S(=O)(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)c1 ZINC000734851269 655635582 /nfs/dbraw/zinc/63/55/82/655635582.db2.gz XKDRFUOIHMBYOF-OAHLLOKOSA-N 1 0 390.933 2.771 20 0 GFADRO O=C(CCSc1nc2ccccc2s1)NCCC[NH+]1CCC(O)CC1 ZINC000736190104 655659856 /nfs/dbraw/zinc/65/98/56/655659856.db2.gz ATDMTGPFJSPUAG-UHFFFAOYSA-N 1 0 379.551 2.742 20 0 GFADRO Cc1ccc(/C=C/C(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)c(Br)c1 ZINC000742107115 655710136 /nfs/dbraw/zinc/71/01/36/655710136.db2.gz FTGLGDRHYKDZFZ-APHBUQMISA-N 1 0 393.325 2.951 20 0 GFADRO COc1ccc(Cl)c(NC(=S)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)c1 ZINC000742997058 655724202 /nfs/dbraw/zinc/72/42/02/655724202.db2.gz KIZAJQAZIPKBEX-AWEZNQCLSA-N 1 0 382.961 2.757 20 0 GFADRO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NCc1ccc(Br)cc1F ZINC000743363145 655728200 /nfs/dbraw/zinc/72/82/00/655728200.db2.gz SAVDACDSSNGVTF-INIZCTEOSA-N 1 0 387.293 2.998 20 0 GFADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)N[C@H]1COc2c1ccc(Cl)c2Cl ZINC000743682076 655730786 /nfs/dbraw/zinc/73/07/86/655730786.db2.gz FPLJPBBZEMJGMJ-GYSYKLTISA-N 1 0 386.279 2.589 20 0 GFADRO C[C@@H](CNC(=O)C(=O)Nc1ccc(Br)c(F)c1)[NH+]1CCCCC1 ZINC000743894879 655732586 /nfs/dbraw/zinc/73/25/86/655732586.db2.gz CIPUFSNSACKDIF-NSHDSACASA-N 1 0 386.265 2.517 20 0 GFADRO C[C@@H]1CCC[N@@H+]1CCNC(=O)C(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000743980262 655733478 /nfs/dbraw/zinc/73/34/78/655733478.db2.gz KJNUTBFHHDNJCP-SNVBAGLBSA-N 1 0 377.794 2.898 20 0 GFADRO C[C@H]1CCC[N@@H+]1CCNC(=O)c1cnn(-c2ccc(Br)cc2)c1 ZINC000744351838 655739258 /nfs/dbraw/zinc/73/92/58/655739258.db2.gz XKXYYYMXTIFWQO-ZDUSSCGKSA-N 1 0 377.286 2.849 20 0 GFADRO Cc1nc(NC(=O)C2CC[NH+](C)CC2)sc1C1N=NC(=S)N1C1CC1 ZINC000746133502 655758619 /nfs/dbraw/zinc/75/86/19/655758619.db2.gz HGMAJFKBNYZOIF-UHFFFAOYSA-N 1 0 378.527 2.614 20 0 GFADRO CCO[C@@H](CC[NH+](C)C)CNS(=O)(=O)c1ccc2nc(Cl)sc2c1 ZINC000746671039 655766048 /nfs/dbraw/zinc/76/60/48/655766048.db2.gz LCPLYFHZTHXQSM-NSHDSACASA-N 1 0 391.946 2.585 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)/C=C/c1ccc(Br)o1 ZINC000747146255 655773051 /nfs/dbraw/zinc/77/30/51/655773051.db2.gz MWCCTXSJXNEOAM-RSQWINLWSA-N 1 0 383.286 2.765 20 0 GFADRO O=C(CCSc1ccc(Br)cc1)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000747229858 655774371 /nfs/dbraw/zinc/77/43/71/655774371.db2.gz MJROJCHWQPIHQS-CABCVRRESA-N 1 0 399.354 2.911 20 0 GFADRO C[C@H](Sc1ccc(Br)cc1)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000747228911 655774475 /nfs/dbraw/zinc/77/44/75/655774475.db2.gz GVMJKLXJGBYNDH-NWANDNLSSA-N 1 0 399.354 2.909 20 0 GFADRO CCc1c(Cl)nc(CS(C)(=O)=O)nc1NC1CC[NH+](CC2CC2)CC1 ZINC000749095098 655799816 /nfs/dbraw/zinc/79/98/16/655799816.db2.gz DDYGQCCSQYSYRG-UHFFFAOYSA-N 1 0 386.949 2.523 20 0 GFADRO O[C@@H](CN1CCc2[nH]c3c(cccc3Br)c2C1)C[NH+]1CCCC1 ZINC000749284117 655802429 /nfs/dbraw/zinc/80/24/29/655802429.db2.gz NVQUCKTVVLRIRK-CYBMUJFWSA-N 1 0 378.314 2.745 20 0 GFADRO C[C@@H]1CN(C(=S)Nc2ccc(OC(F)(F)F)cc2)C[C@H](C)[N@H+]1CCO ZINC000840806150 661190577 /nfs/dbraw/zinc/19/05/77/661190577.db2.gz WCAZDKMLSICKOS-TXEJJXNPSA-N 1 0 377.432 2.669 20 0 GFADRO COC(=O)c1sccc1S(=O)(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000751492692 655829921 /nfs/dbraw/zinc/82/99/21/655829921.db2.gz ORONLZIHGZODTM-UHFFFAOYSA-N 1 0 386.539 2.610 20 0 GFADRO C[C@H]1C[N@H+](CN2C(=O)N[C@@](C)(c3ccccc3Br)C2=O)C[C@H]1C ZINC000751926816 655836169 /nfs/dbraw/zinc/83/61/69/655836169.db2.gz IGVPKMGEYAOYGN-JKDFXYPNSA-N 1 0 380.286 2.761 20 0 GFADRO C[NH+](C)CCOCCNC(=O)N[C@H]1CCOc2c(Cl)c(Cl)ccc21 ZINC000753675221 655857180 /nfs/dbraw/zinc/85/71/80/655857180.db2.gz DIFJNLXSXNHYMP-ZDUSSCGKSA-N 1 0 376.284 2.694 20 0 GFADRO COC(=O)[C@@H]1CN(C(=S)Nc2ccc(SC(F)F)cc2)CC[N@H+](C)C1 ZINC000840855651 661195792 /nfs/dbraw/zinc/19/57/92/661195792.db2.gz FDSDBURUHUKZIW-NSHDSACASA-N 1 0 389.493 2.735 20 0 GFADRO Clc1cccc(-n2cc(CNC[C@H]3C[N@@H+]4CCC[C@@H]4CO3)nn2)c1Cl ZINC000754828982 655874995 /nfs/dbraw/zinc/87/49/95/655874995.db2.gz JNIYORVDPMQXFH-KGLIPLIRSA-N 1 0 382.295 2.527 20 0 GFADRO CC(C)(NC(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccccc1Br ZINC000757642544 655914216 /nfs/dbraw/zinc/91/42/16/655914216.db2.gz SVAJSPICSMBGPK-ZIAGYGMSSA-N 1 0 396.329 2.847 20 0 GFADRO C[C@@H](CNC(=O)C(=O)Nc1cc(F)ccc1Br)[NH+]1CCCCC1 ZINC000757827184 655917311 /nfs/dbraw/zinc/91/73/11/655917311.db2.gz WJBBPRHTGAJPED-NSHDSACASA-N 1 0 386.265 2.517 20 0 GFADRO COC1CC[NH+](C2(CNC(=O)c3cccnc3Br)CCCC2)CC1 ZINC000758229072 655926832 /nfs/dbraw/zinc/92/68/32/655926832.db2.gz WTSADQNBMHIZRR-UHFFFAOYSA-N 1 0 396.329 2.998 20 0 GFADRO COc1ccc2nc(Cl)ccc2c1S(=O)(=O)NCC(C)(C)C[NH+](C)C ZINC000758969336 655944239 /nfs/dbraw/zinc/94/42/39/655944239.db2.gz JEWXHANNGFGKDD-UHFFFAOYSA-N 1 0 385.917 2.763 20 0 GFADRO CCCCCC[C@H](O)C[NH+]1CCC(N(CC(F)(F)F)S(C)(=O)=O)CC1 ZINC000759360545 655953590 /nfs/dbraw/zinc/95/35/90/655953590.db2.gz ORLKDWLOZRRZRZ-HNNXBMFYSA-N 1 0 388.496 2.606 20 0 GFADRO CS[C@@H]1CN(C(=O)Nc2ccc([S@](=O)C(F)(F)F)cc2)C[C@@H]1[NH+](C)C ZINC000759987815 655967257 /nfs/dbraw/zinc/96/72/57/655967257.db2.gz QENDMXZRSLJQGP-YGCGCYASSA-N 1 0 395.472 2.823 20 0 GFADRO Cc1ccccc1C[N@H+]1CCCN(C(=O)c2cnn(C)c2Br)CC1 ZINC000760178078 655971068 /nfs/dbraw/zinc/97/10/68/655971068.db2.gz QWPSJLONDZLINT-UHFFFAOYSA-N 1 0 391.313 2.839 20 0 GFADRO Cn1ncc(C(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)c1Br ZINC000760242703 655973441 /nfs/dbraw/zinc/97/34/41/655973441.db2.gz HCIPXUFNMQHTRM-AWEZNQCLSA-N 1 0 383.334 2.911 20 0 GFADRO O=C(NCCC[NH+]1CCCC1)C1CCN(C(=O)c2cc(Cl)cs2)CC1 ZINC000760330723 655976251 /nfs/dbraw/zinc/97/62/51/655976251.db2.gz COUOURZVBBPOCO-UHFFFAOYSA-N 1 0 383.945 2.856 20 0 GFADRO CN(C)C(=O)CC[NH+]1CCN(Cn2c3ccc(Cl)cc3oc2=S)CC1 ZINC000760415167 655979748 /nfs/dbraw/zinc/97/97/48/655979748.db2.gz RTTYEDJCHYFWHG-UHFFFAOYSA-N 1 0 382.917 2.671 20 0 GFADRO C[C@H](CNC(=O)Cc1cccc(I)c1)[NH+]1CCCCC1 ZINC000760420248 655979970 /nfs/dbraw/zinc/97/99/70/655979970.db2.gz KPJSZIYMCIDMNK-CYBMUJFWSA-N 1 0 386.277 2.824 20 0 GFADRO CCc1cccc(C)c1NC(=S)NNC(=S)NCC1CC[NH+](C)CC1 ZINC000760467937 655981691 /nfs/dbraw/zinc/98/16/91/655981691.db2.gz NVPHJZRNTUUDET-UHFFFAOYSA-N 1 0 379.599 2.565 20 0 GFADRO C[NH+]1CCC(CNC(=S)NC[C@@H](O)c2cccc(C(F)(F)F)c2)CC1 ZINC000760481689 655982268 /nfs/dbraw/zinc/98/22/68/655982268.db2.gz DCBIDNXFZJFCAE-OAHLLOKOSA-N 1 0 375.460 2.545 20 0 GFADRO O=C(CCCC[NH+]1CCCC1)NC[C@H](CO)Cc1cccc(Br)c1 ZINC000760572548 655985193 /nfs/dbraw/zinc/98/51/93/655985193.db2.gz HBHWERVSPOXNCH-QGZVFWFLSA-N 1 0 397.357 2.982 20 0 GFADRO C[C@@H](CNS(=O)(=O)c1ccc2nc(Cl)cnc2c1)[N@@H+]1CCC[C@H](C)C1 ZINC000760855227 655993605 /nfs/dbraw/zinc/99/36/05/655993605.db2.gz PWKQYRWHGYGTOE-STQMWFEESA-N 1 0 382.917 2.682 20 0 GFADRO C[C@@H]1C[C@H](N2C(=O)[C@@H](c3cccc(Br)c3)N(C)C2=O)CC[N@@H+]1C ZINC000761282254 656007744 /nfs/dbraw/zinc/00/77/44/656007744.db2.gz PPJYHASKELDSMM-KCPJHIHWSA-N 1 0 380.286 2.867 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@H](N2C(=O)N[C@@H](c3ccc(Br)cc3)C2=O)C1 ZINC000761321480 656011486 /nfs/dbraw/zinc/01/14/86/656011486.db2.gz QUZMIVGWJZUYJI-ILXRZTDVSA-N 1 0 380.286 2.915 20 0 GFADRO C[C@]1(c2ccccc2Br)NC(=O)N(C[N@@H+]2CC[C@H](C3CC3)C2)C1=O ZINC000763330734 656079347 /nfs/dbraw/zinc/07/93/47/656079347.db2.gz DKSONPNTWIFKIN-SCLBCKFNSA-N 1 0 392.297 2.906 20 0 GFADRO C[C@H]1CCC[N@@H+]1CCNC(=O)c1ccc(F)c(I)c1 ZINC000763763707 656092382 /nfs/dbraw/zinc/09/23/82/656092382.db2.gz KXZZKEVSTVMXNX-JTQLQIEISA-N 1 0 376.213 2.644 20 0 GFADRO O=C(NCCCC[NH+]1CCOCC1)c1nc(Br)sc1C1CC1 ZINC000764309260 656108478 /nfs/dbraw/zinc/10/84/78/656108478.db2.gz GZYYSICOHAXTLI-UHFFFAOYSA-N 1 0 388.331 2.625 20 0 GFADRO [NH3+]CC[C@H]1CCCN(C(=O)Nc2cc3c(cc2Br)OCCO3)C1 ZINC000841016250 661227800 /nfs/dbraw/zinc/22/78/00/661227800.db2.gz RWOCYOMAEGTRNT-LLVKDONJSA-N 1 0 384.274 2.813 20 0 GFADRO O=C(Nc1cc2c(cc1Br)OCCO2)N1CCC2(C1)CC[NH2+]CC2 ZINC000841015993 661227989 /nfs/dbraw/zinc/22/79/89/661227989.db2.gz QEMURSHCNQGZLP-UHFFFAOYSA-N 1 0 396.285 2.828 20 0 GFADRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NS(=O)(=O)/C=C\c1cccc(Br)c1 ZINC000765208194 656137075 /nfs/dbraw/zinc/13/70/75/656137075.db2.gz KXHMFLNOTPEJTG-SZILLNDXSA-N 1 0 385.327 2.822 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1cc(=O)c2cc(Br)ccc2o1 ZINC000841055252 661230214 /nfs/dbraw/zinc/23/02/14/661230214.db2.gz MNHJLMWAUUPWJR-ZIAGYGMSSA-N 1 0 391.265 2.912 20 0 GFADRO COCCOC[C@@H](C)[NH2+][C@H]1CCCN(c2ccc(Br)c(C)c2)C1=O ZINC000766039765 656158227 /nfs/dbraw/zinc/15/82/27/656158227.db2.gz WCTUJMAOGVVNLH-PBHICJAKSA-N 1 0 399.329 2.894 20 0 GFADRO CC[NH+](CC)C[C@@H]1CCN(CN2C(=O)c3ccc(Br)cc3C2=O)C1 ZINC000766096271 656161383 /nfs/dbraw/zinc/16/13/83/656161383.db2.gz VUOFEMPZBUYXBG-ZDUSSCGKSA-N 1 0 394.313 2.666 20 0 GFADRO Cn1nc(C(F)(F)F)c(CN2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)c1Cl ZINC000841099063 661232232 /nfs/dbraw/zinc/23/22/32/661232232.db2.gz CPESBKWEAPYOEN-QWHCGFSZSA-N 1 0 380.842 2.811 20 0 GFADRO C[C@H](NC(=O)C[N@H+](C)[C@H]1CCSC1)[C@@H](O)c1c(Cl)cccc1Cl ZINC000767088969 656193917 /nfs/dbraw/zinc/19/39/17/656193917.db2.gz QIWRVRPRIWZJAQ-XMZIXOGTSA-N 1 0 377.337 2.969 20 0 GFADRO COC(=O)c1cc(NC(=O)N2CCC[C@@H](C[NH3+])C2)c(Br)cc1F ZINC000841125840 661235548 /nfs/dbraw/zinc/23/55/48/661235548.db2.gz TUPMIGHHQHCURW-VIFPVBQESA-N 1 0 388.237 2.577 20 0 GFADRO COc1cc(S(=O)(=O)NC[C@H](C)[N@H+](C)Cc2ccccc2)cnc1Cl ZINC000767777436 656219523 /nfs/dbraw/zinc/21/95/23/656219523.db2.gz ZORLXCBKPBJQIP-ZDUSSCGKSA-N 1 0 383.901 2.542 20 0 GFADRO COC(=O)c1cc(Br)ccc1NC(=O)N(C)C1CCC([NH3+])CC1 ZINC000841157583 661239838 /nfs/dbraw/zinc/23/98/38/661239838.db2.gz GPZXZWGEXOMXSS-UHFFFAOYSA-N 1 0 384.274 2.969 20 0 GFADRO O=C(COC(=O)C1SCCS1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000768579941 656242692 /nfs/dbraw/zinc/24/26/92/656242692.db2.gz URYUGWAWCXAFKC-UHFFFAOYSA-N 1 0 398.575 2.523 20 0 GFADRO CCC[NH2+]CCNC(=O)C(=O)Nc1ccc2cc(Br)ccc2c1 ZINC000841197173 661243431 /nfs/dbraw/zinc/24/34/31/661243431.db2.gz AJYKHBJFXDSFHH-UHFFFAOYSA-N 1 0 378.270 2.657 20 0 GFADRO Cc1cc(Br)ncc1NC(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000768992959 656262861 /nfs/dbraw/zinc/26/28/61/656262861.db2.gz JXXNDZLVQKTWPS-HUUCEWRRSA-N 1 0 397.317 2.652 20 0 GFADRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)Nc1ccc2cc(Br)ccc2c1 ZINC000841199576 661243793 /nfs/dbraw/zinc/24/37/93/661243793.db2.gz GMEVMBRSCUJJIJ-NEPJUHHUSA-N 1 0 390.281 2.737 20 0 GFADRO C[N@H+](CCOC(=O)c1cc(Br)ncc1N)Cc1ccc(F)cc1 ZINC000769129504 656265980 /nfs/dbraw/zinc/26/59/80/656265980.db2.gz FIAFPMHKHBAFJQ-UHFFFAOYSA-N 1 0 382.233 2.854 20 0 GFADRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)Nc1cccc(Cl)c1SC(F)F ZINC000841201697 661244162 /nfs/dbraw/zinc/24/41/62/661244162.db2.gz USGYTVYBBYJXED-RKDXNWHRSA-N 1 0 377.844 2.789 20 0 GFADRO C[C@@H](c1ccccc1)[NH+]1CCC(NS(=O)(=O)c2cnc(Cl)n2C)CC1 ZINC000769421843 656275601 /nfs/dbraw/zinc/27/56/01/656275601.db2.gz DDHHVFMZVYMYDZ-ZDUSSCGKSA-N 1 0 382.917 2.577 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CNC(=S)NNc1ccc(Br)c(F)c1 ZINC000769763837 656290460 /nfs/dbraw/zinc/29/04/60/656290460.db2.gz QYYKCVCGKKSCCL-NSHDSACASA-N 1 0 375.311 2.864 20 0 GFADRO CCCCCSc1nc2ccc(NC(=O)C(=O)N(C)CC[NH3+])cc2s1 ZINC000841279701 661251060 /nfs/dbraw/zinc/25/10/60/661251060.db2.gz WRRDOJZHHBFZMV-UHFFFAOYSA-N 1 0 380.539 2.934 20 0 GFADRO C[NH+]1CCN(CCC(C)(C)NS(=O)(=O)/C=C\c2ccc(Cl)cc2)CC1 ZINC000770299687 656315608 /nfs/dbraw/zinc/31/56/08/656315608.db2.gz OHRAQDJAHHORCO-NVNXTCNLSA-N 1 0 385.961 2.646 20 0 GFADRO O=C(OCC[NH+]1CCCCC1)[C@@H]1CSCN1C(=O)c1ccc(Cl)cc1 ZINC000770367343 656317286 /nfs/dbraw/zinc/31/72/86/656317286.db2.gz CWXMFDUQTSCQTC-INIZCTEOSA-N 1 0 382.913 2.884 20 0 GFADRO COc1ccc(C(=O)OCC[NH+]2CCCCC2)cc1I ZINC000770405446 656318450 /nfs/dbraw/zinc/31/84/50/656318450.db2.gz IYWBFQZKSOYGFG-UHFFFAOYSA-N 1 0 389.233 2.943 20 0 GFADRO O=C(OCC[NH+]1CCCCC1)c1ccc(I)c(O)c1 ZINC000770410858 656318790 /nfs/dbraw/zinc/31/87/90/656318790.db2.gz KKFWGDBHCMTKMM-UHFFFAOYSA-N 1 0 375.206 2.640 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)c1cccnc1I)c1ccccc1 ZINC000770466058 656319805 /nfs/dbraw/zinc/31/98/05/656319805.db2.gz GFFITDYJXQJVCG-CQSZACIVSA-N 1 0 395.244 2.719 20 0 GFADRO CC[C@@H]([NH3+])CNC(=O)C(=O)Nc1ccccc1SC[C@H]1CC1(Cl)Cl ZINC000841256562 661249998 /nfs/dbraw/zinc/24/99/98/661249998.db2.gz KCVPJEGBULPNDX-GHMZBOCLSA-N 1 0 390.336 2.765 20 0 GFADRO Cc1cnc(Br)c(NC(=O)C(=O)NCC[NH2+]C2CCCCCC2)c1 ZINC000841183749 661242340 /nfs/dbraw/zinc/24/23/40/661242340.db2.gz QSIHADMFIJWJMQ-UHFFFAOYSA-N 1 0 397.317 2.520 20 0 GFADRO Cc1c(NC(=O)NCCOCC[NH+](C)C)cnc(Cl)c1Br ZINC000771192635 656342671 /nfs/dbraw/zinc/34/26/71/656342671.db2.gz FGYHFWWNTLCBOB-UHFFFAOYSA-N 1 0 379.686 2.506 20 0 GFADRO Cc1ccc(CCC(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)c(Br)c1 ZINC000771984275 656369179 /nfs/dbraw/zinc/36/91/79/656369179.db2.gz IRMQZGUCPVIZPA-HOTGVXAUSA-N 1 0 381.314 2.670 20 0 GFADRO CS[C@@H]1CN(C(=O)C[C@H](O)c2cc(Cl)cc(Cl)c2)C[C@H]1[NH+](C)C ZINC000772847302 656391770 /nfs/dbraw/zinc/39/17/70/656391770.db2.gz RQMUTFYFZXBDDB-QLFBSQMISA-N 1 0 377.337 2.921 20 0 GFADRO C[NH+](C)C1(CNS(=O)(=O)c2ccc3nc(Cl)cnc3c2)CCCCC1 ZINC000772918241 656393273 /nfs/dbraw/zinc/39/32/73/656393273.db2.gz JDKCJCCWCVMMCP-UHFFFAOYSA-N 1 0 382.917 2.826 20 0 GFADRO Cc1cc(S(=O)(=O)NCC[NH2+]Cc2cncc3ccccc32)c(C)s1 ZINC000772933437 656394069 /nfs/dbraw/zinc/39/40/69/656394069.db2.gz FAPACSFJEBLUJB-UHFFFAOYSA-N 1 0 375.519 2.981 20 0 GFADRO CC[C@@H]1Cc2c(Br)cccc2C[N@@H+]1CCCOC(=O)NC(N)=O ZINC000773923660 656478258 /nfs/dbraw/zinc/47/82/58/656478258.db2.gz IZKLIDSLHHPGSR-GFCCVEGCSA-N 1 0 384.274 2.781 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCN(CCN2CCOCC2)C1)c1cc(Cl)c(N)c(Cl)c1 ZINC000774410627 656527105 /nfs/dbraw/zinc/52/71/05/656527105.db2.gz BZDCEASFZWVUKL-DZGCQCFKSA-N 1 0 387.355 2.633 20 0 GFADRO C[C@H]([NH2+][C@H]1CCN(CCN2CCOCC2)C1)c1cc(Cl)c(N)c(Cl)c1 ZINC000774410644 656527150 /nfs/dbraw/zinc/52/71/50/656527150.db2.gz BZDCEASFZWVUKL-ZFWWWQNUSA-N 1 0 387.355 2.633 20 0 GFADRO CCc1c(Cl)nc(CS(C)(=O)=O)nc1NC[C@H](C)C[NH+]1CCCCC1 ZINC000774517169 656533163 /nfs/dbraw/zinc/53/31/63/656533163.db2.gz FOPAXANIYUGEAN-ZDUSSCGKSA-N 1 0 388.965 2.771 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)NCCc2ccc(Cl)cc2Cl)C1 ZINC000774725966 656549736 /nfs/dbraw/zinc/54/97/36/656549736.db2.gz SNIYALCBCWMZQD-LSDHHAIUSA-N 1 0 386.323 2.641 20 0 GFADRO C[C@@H](CN1CCN(C)CC1)[NH2+]Cc1nc2ccc(Br)cc2s1 ZINC000774990795 656582175 /nfs/dbraw/zinc/58/21/75/656582175.db2.gz DGXYWWGYEIYRKL-LBPRGKRZSA-N 1 0 383.359 2.784 20 0 GFADRO O=C1c2ccccc2C(=O)N1CC[NH2+]C[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000775016051 656586677 /nfs/dbraw/zinc/58/66/77/656586677.db2.gz MTWCDFSUPSKPPR-MRXNPFEDSA-N 1 0 379.243 2.913 20 0 GFADRO CC(C)NS(=O)(=O)c1cccc(C[NH2+][C@@H]2CC[C@H]3SCCS[C@H]23)c1 ZINC000775376167 656633706 /nfs/dbraw/zinc/63/37/06/656633706.db2.gz PGQPNASIDNKQKZ-BRWVUGGUSA-N 1 0 386.608 2.843 20 0 GFADRO C[C@@H]([NH2+]CC(=O)Nc1ccccc1C(N)=O)c1ccc(F)c(Br)c1 ZINC000775393262 656636376 /nfs/dbraw/zinc/63/63/76/656636376.db2.gz FMLBKCQCBTVKBV-SNVBAGLBSA-N 1 0 394.244 2.976 20 0 GFADRO C[C@H]([NH2+]CCCCCS(C)(=O)=O)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000775586729 656651005 /nfs/dbraw/zinc/65/10/05/656651005.db2.gz PJNFWNZCVMCWIL-JKSUJKDBSA-N 1 0 376.563 2.969 20 0 GFADRO CC[S@@](=O)CC[NH2+][C@H](c1ccc(C)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000779061391 656898198 /nfs/dbraw/zinc/89/81/98/656898198.db2.gz OBOATRGUNHWRSU-NTKDMRAZSA-N 1 0 379.547 2.846 20 0 GFADRO CS(=O)(=O)N1CC(C[NH2+][C@H]2CCC[C@H]2c2ccccc2C(F)(F)F)C1 ZINC000779078809 656898663 /nfs/dbraw/zinc/89/86/63/656898663.db2.gz XIDOURGKBGCRCS-HOCLYGCPSA-N 1 0 376.444 2.823 20 0 GFADRO Cn1cc([C@H](O)C[NH2+][C@H](c2ccc(Br)cc2)[C@H]2CCCO2)cn1 ZINC000779071861 656898727 /nfs/dbraw/zinc/89/87/27/656898727.db2.gz GJJILAVKZBYSBB-BRWVUGGUSA-N 1 0 380.286 2.726 20 0 GFADRO C[N@@H+]1CCCC[C@@H]1CCOC(=O)c1c(N)cccc1I ZINC000780277876 656995053 /nfs/dbraw/zinc/99/50/53/656995053.db2.gz PIWCGJIUFSHIAX-LLVKDONJSA-N 1 0 388.249 2.905 20 0 GFADRO Cc1cccc(S(=O)(=O)NC[C@H](C)[NH+]2CCCCC2)c1Br ZINC000780716970 657025447 /nfs/dbraw/zinc/02/54/47/657025447.db2.gz AVFCHNJGUBGRQN-ZDUSSCGKSA-N 1 0 375.332 2.910 20 0 GFADRO Cc1c(Br)cccc1S(=O)(=O)NC[C@H](C)[NH+]1CCCCC1 ZINC000780715383 657025537 /nfs/dbraw/zinc/02/55/37/657025537.db2.gz KMTURIHCCANESD-LBPRGKRZSA-N 1 0 375.332 2.910 20 0 GFADRO Cc1ccc(Br)c(S(=O)(=O)NC[C@@H](C)[NH+]2CCCCC2)c1 ZINC000780720471 657025795 /nfs/dbraw/zinc/02/57/95/657025795.db2.gz RSFSOVHBRSJQLX-CYBMUJFWSA-N 1 0 375.332 2.910 20 0 GFADRO O=C(NCc1ccccc1C[N@H+]1CCC[C@@H]1CO)NC[C@@H]1CC1(Cl)Cl ZINC000781921569 657089646 /nfs/dbraw/zinc/08/96/46/657089646.db2.gz UAIXYBLNCBKOOL-JKSUJKDBSA-N 1 0 386.323 2.636 20 0 GFADRO COC(=O)C1=C(C)O[C@@H](C[NH2+][C@H](CCO)c2ccccc2Br)C1 ZINC000782103223 657102625 /nfs/dbraw/zinc/10/26/25/657102625.db2.gz PTEDEEONZIPHAG-MLGOLLRUSA-N 1 0 384.270 2.698 20 0 GFADRO COC(=O)C1=C(C)O[C@@H](C[NH2+][C@@H](CCO)c2ccccc2Br)C1 ZINC000782103224 657102672 /nfs/dbraw/zinc/10/26/72/657102672.db2.gz PTEDEEONZIPHAG-WBMJQRKESA-N 1 0 384.270 2.698 20 0 GFADRO C[NH+]1CCC(NC(=S)N[C@@H]2CCN(c3cccc(Br)c3)C2)CC1 ZINC000782411780 657141109 /nfs/dbraw/zinc/14/11/09/657141109.db2.gz VFETXUJUOOWIOQ-OAHLLOKOSA-N 1 0 397.386 2.586 20 0 GFADRO C[C@H](CNC(=S)Nc1ccc(Br)cc1)C[NH+]1CCN(C)CC1 ZINC000783728348 657255140 /nfs/dbraw/zinc/25/51/40/657255140.db2.gz BTXJPBBZTUVIFD-CYBMUJFWSA-N 1 0 385.375 2.619 20 0 GFADRO O=C(Nc1nc(Br)ccc1O)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000783909260 657272304 /nfs/dbraw/zinc/27/23/04/657272304.db2.gz ASCJUOPXULOJLT-CYBMUJFWSA-N 1 0 391.269 2.795 20 0 GFADRO COC(=O)c1ccc(CNC(=O)NC[C@@H](C)[N@H+](C)C2CC2)c(Br)c1 ZINC000785582016 657376930 /nfs/dbraw/zinc/37/69/30/657376930.db2.gz WEBCDPRMURABOJ-LLVKDONJSA-N 1 0 398.301 2.518 20 0 GFADRO C[C@@H](C[C@H](C)[NH2+]Cc1ccc(S(C)(=O)=O)s1)NC(=O)OC(C)(C)C ZINC000786961408 657497320 /nfs/dbraw/zinc/49/73/20/657497320.db2.gz YSZHMJSXUUUSTM-RYUDHWBXSA-N 1 0 376.544 2.933 20 0 GFADRO O=C(NCc1ccccc1C[NH+]1CCCC1)c1ncc(Br)cn1 ZINC000786994448 657502029 /nfs/dbraw/zinc/50/20/29/657502029.db2.gz HKLCPZFRWPLDDP-UHFFFAOYSA-N 1 0 375.270 2.765 20 0 GFADRO COC(=O)[C@@H]1CC[N@H+](Cn2ccc(=O)c3cccc(Br)c32)[C@@H]1C ZINC000787244085 657531168 /nfs/dbraw/zinc/53/11/68/657531168.db2.gz MDAVBDYDXKQYQL-VXGBXAGGSA-N 1 0 379.254 2.605 20 0 GFADRO O=S(=O)(NCc1ccccc1C[NH+]1CCCC1)c1cnc(Cl)c(F)c1 ZINC000787918105 657621828 /nfs/dbraw/zinc/62/18/28/657621828.db2.gz CTYNXXBPQHOKLN-UHFFFAOYSA-N 1 0 383.876 2.948 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)c1nc(Br)ccc1Br ZINC000788153793 657660926 /nfs/dbraw/zinc/66/09/26/657660926.db2.gz IPQZDMQALKPVFA-NXEZZACHSA-N 1 0 391.107 2.819 20 0 GFADRO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@@H](O)c1ccc(Cl)cc1 ZINC000788503049 657732963 /nfs/dbraw/zinc/73/29/63/657732963.db2.gz CCACLBPRUFNFNG-XHDPSFHLSA-N 1 0 385.689 2.976 20 0 GFADRO CSC1(C[NH2+]Cc2c(C)nn([C@H]3CCS(=O)(=O)C3)c2Cl)CCC1 ZINC000788524822 657737896 /nfs/dbraw/zinc/73/78/96/657737896.db2.gz VNBHWXQHGBXGEL-LBPRGKRZSA-N 1 0 377.963 2.580 20 0 GFADRO COC(=O)c1ccc(OS(=O)(=O)c2ccc(C[NH+](C)C)cc2)c(Cl)c1 ZINC000788583408 657746952 /nfs/dbraw/zinc/74/69/52/657746952.db2.gz UKTWHFKMZZPOHC-UHFFFAOYSA-N 1 0 383.853 2.956 20 0 GFADRO C[C@H]([NH2+]CCOc1ccc(S(=O)(=O)C(F)(F)F)cc1)[C@]1(C)CCCO1 ZINC000788690141 657774603 /nfs/dbraw/zinc/77/46/03/657774603.db2.gz WHGLQYZEFHYQNN-WFASDCNBSA-N 1 0 381.416 2.906 20 0 GFADRO O[C@@H](C[NH2+]Cc1ccc(Br)cc1N1CCOCC1)c1cccnc1 ZINC000788965239 657804129 /nfs/dbraw/zinc/80/41/29/657804129.db2.gz HMYSLYWBWCIQBF-SFHVURJKSA-N 1 0 392.297 2.504 20 0 GFADRO CCS(=O)(=O)CCCCC[N@@H+]1CC[C@H](NC(=O)OC(C)(C)C)C[C@@H]1C ZINC000789350631 657840306 /nfs/dbraw/zinc/84/03/06/657840306.db2.gz IVMNBWPMEGVGPN-HOTGVXAUSA-N 1 0 376.563 2.969 20 0 GFADRO COc1nc(Br)ccc1NC(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000789394990 657849060 /nfs/dbraw/zinc/84/90/60/657849060.db2.gz ZNSVWHCJQVYGGH-LBPRGKRZSA-N 1 0 383.290 2.945 20 0 GFADRO C[N@H+](CC(=O)N1CCC(COc2ccc(Cl)nc2)CC1)[C@H]1CCSC1 ZINC000790096204 657926162 /nfs/dbraw/zinc/92/61/62/657926162.db2.gz WHEOJBOBBAZARF-HNNXBMFYSA-N 1 0 383.945 2.790 20 0 GFADRO COC[C@H]1CCC[N@@H+]1Cn1ncc2c1ccc(Br)c2C(=O)OC ZINC000790443294 657978808 /nfs/dbraw/zinc/97/88/08/657978808.db2.gz MCGOTNNTNROUJP-LLVKDONJSA-N 1 0 382.258 2.654 20 0 GFADRO COC(=O)c1ccc(OC[C@H](O)C[N@@H+]2CC[C@]3(C)[C@H](C2)C3(Cl)Cl)cc1 ZINC000792901049 658327574 /nfs/dbraw/zinc/32/75/74/658327574.db2.gz JUYBEOGQOJSROI-UKPHBRMFSA-N 1 0 388.291 2.729 20 0 GFADRO Cc1nc(SC(F)F)sc1CC(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000792913732 658329520 /nfs/dbraw/zinc/32/95/20/658329520.db2.gz OMVPTNSNFPNRGK-GHMZBOCLSA-N 1 0 393.525 2.924 20 0 GFADRO Cc1nc(SC(F)F)sc1CC(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000792913733 658329884 /nfs/dbraw/zinc/32/98/84/658329884.db2.gz OMVPTNSNFPNRGK-PHIMTYICSA-N 1 0 393.525 2.924 20 0 GFADRO C[NH+]1CCN(c2ccccc2NC(=O)c2ncccc2Br)CC1 ZINC000792921897 658330599 /nfs/dbraw/zinc/33/05/99/658330599.db2.gz GLXUMDJPPKKIKC-UHFFFAOYSA-N 1 0 375.270 2.848 20 0 GFADRO COC(=O)N1CC([NH2+][C@H](C)CCc2ccc(I)cc2)C1 ZINC000793019225 658348098 /nfs/dbraw/zinc/34/80/98/658348098.db2.gz MHLXBJKQUNXMRS-LLVKDONJSA-N 1 0 388.249 2.653 20 0 GFADRO C[C@H](CNC(=O)C(=O)N(C)Cc1cc(Cl)cc(Cl)c1)[NH+]1CCCCC1 ZINC000793698310 658427532 /nfs/dbraw/zinc/42/75/32/658427532.db2.gz JKICBOCINXHNDK-CYBMUJFWSA-N 1 0 386.323 2.942 20 0 GFADRO Cc1ccc(C(=O)Nc2cccc(C[N@@H+]3CC[C@H](O)C3)c2)c(Br)n1 ZINC000794562793 658561958 /nfs/dbraw/zinc/56/19/58/658561958.db2.gz AYTHXWQFFWPOKQ-HNNXBMFYSA-N 1 0 390.281 2.971 20 0 GFADRO COC(=O)c1c2cnn(C[N@@H+]3CCC[C@](C)(O)CC3)c2ccc1Br ZINC000794671578 658594880 /nfs/dbraw/zinc/59/48/80/658594880.db2.gz CXZWUADZYNNJQI-KRWDZBQOSA-N 1 0 396.285 2.780 20 0 GFADRO CCNS(=O)(=O)CC[NH2+][C@H]1C[C@@H](C)CCc2ccc(Br)cc21 ZINC000794808687 658617211 /nfs/dbraw/zinc/61/72/11/658617211.db2.gz BOVGJDUDKAFEBP-LRDDRELGSA-N 1 0 389.359 2.992 20 0 GFADRO CCC[N@H+](C)[C@H](CNC(=S)NCC(=O)NC(C)C)c1ccc(Cl)cc1 ZINC000795093154 658669994 /nfs/dbraw/zinc/66/99/94/658669994.db2.gz YIIFHHGVYLSMCN-MRXNPFEDSA-N 1 0 384.977 2.712 20 0 GFADRO CCN(CCC[NH+](C)C)S(=O)(=O)c1cc(Br)cc(F)c1OC ZINC000795180631 658704728 /nfs/dbraw/zinc/70/47/28/658704728.db2.gz BMDDFMMDVKFKKQ-UHFFFAOYSA-N 1 0 397.310 2.559 20 0 GFADRO CCOC(=O)c1nn(C[N@H+](C)C[C@@H](C)OC)c2ccc(Br)cc12 ZINC000795750039 658846602 /nfs/dbraw/zinc/84/66/02/658846602.db2.gz RIUAFJVRNZWVFK-LLVKDONJSA-N 1 0 384.274 2.900 20 0 GFADRO Cc1cc(Br)cc(C[NH2+]C[C@@H]2CCCC[C@H]2NS(C)(=O)=O)c1 ZINC000796492848 658919502 /nfs/dbraw/zinc/91/95/02/658919502.db2.gz YTRCGHDEWPTVIZ-GOEBONIOSA-N 1 0 389.359 2.955 20 0 GFADRO COC(=O)N1CCC(C[NH2+]Cc2cc3c(cc2Br)OCO3)CC1 ZINC000796505078 658920619 /nfs/dbraw/zinc/92/06/19/658920619.db2.gz CXMVFAFXRUQOMF-UHFFFAOYSA-N 1 0 385.258 2.746 20 0 GFADRO CS(=O)(=O)N1CCCC[C@@H]1C[NH2+]Cc1c(Cl)nc2cc(Cl)ccn21 ZINC000796514200 658921211 /nfs/dbraw/zinc/92/12/11/658921211.db2.gz VFZXQDZURTUWER-GFCCVEGCSA-N 1 0 391.324 2.545 20 0 GFADRO COc1c[nH+]ccc1N1CCN(C(=O)c2cc(F)c(Cl)nc2Cl)CC1 ZINC000797356974 659013516 /nfs/dbraw/zinc/01/35/16/659013516.db2.gz NJHBNCABDQDBRI-UHFFFAOYSA-N 1 0 385.226 2.894 20 0 GFADRO C[NH+](C)CCOc1cc(C(=O)Nc2nc3ccc(Cl)nc3s2)ccn1 ZINC000798129650 659075067 /nfs/dbraw/zinc/07/50/67/659075067.db2.gz CKQFNXQFXIWIGW-UHFFFAOYSA-N 1 0 377.857 2.932 20 0 GFADRO C[C@]1(CNC(=O)Cn2cc(Br)cn2)CC[N@H+](Cc2ccccc2)C1 ZINC000798527659 659115370 /nfs/dbraw/zinc/11/53/70/659115370.db2.gz XERFMRLCIOXSGR-GOSISDBHSA-N 1 0 391.313 2.674 20 0 GFADRO CC(C)(C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccccc1Br ZINC000798939702 659158203 /nfs/dbraw/zinc/15/82/03/659158203.db2.gz SVWOSKCEAUBLIO-ZIAGYGMSSA-N 1 0 381.314 2.706 20 0 GFADRO C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCN2Cn2cc(I)cn2)C1 ZINC000799157168 659168803 /nfs/dbraw/zinc/16/88/03/659168803.db2.gz POUIPNNAAQJZRV-UNQGMJICSA-N 1 0 389.281 2.707 20 0 GFADRO C[NH+](C)CCOc1ccc(CCNC(=O)N2CCC=C(Br)C2)cc1 ZINC000799369998 659184554 /nfs/dbraw/zinc/18/45/54/659184554.db2.gz UQBDKAOSZFNSOA-UHFFFAOYSA-N 1 0 396.329 2.864 20 0 GFADRO C[C@H](CNC(=O)NC[C@H](O)c1cccc(Br)c1)[N@@H+]1CCC[C@H](C)C1 ZINC000799926281 659245625 /nfs/dbraw/zinc/24/56/25/659245625.db2.gz KOCSHAOYJQRVFL-VBQJREDUSA-N 1 0 398.345 2.902 20 0 GFADRO O=C(CNC(=O)c1ccc(Br)s1)OCCC[NH+]1CCCCC1 ZINC000800141698 659276156 /nfs/dbraw/zinc/27/61/56/659276156.db2.gz GLPAHHXZSMVRLP-UHFFFAOYSA-N 1 0 389.315 2.660 20 0 GFADRO Nc1cc(C(=O)OCCC[NH+]2CCCCC2)ccc1I ZINC000800178649 659286470 /nfs/dbraw/zinc/28/64/70/659286470.db2.gz CFSWVFOWYNKLEF-UHFFFAOYSA-N 1 0 388.249 2.906 20 0 GFADRO CC[NH+]1CCC(CCNS(=O)(=O)c2cc3c(cc2Cl)CCC3=O)CC1 ZINC000800917784 659347938 /nfs/dbraw/zinc/34/79/38/659347938.db2.gz WGUODPGETBZRQW-UHFFFAOYSA-N 1 0 384.929 2.869 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2cc3c(cc2Cl)CCC3=O)[C@@H](C)C1 ZINC000800917963 659348151 /nfs/dbraw/zinc/34/81/51/659348151.db2.gz VESUWYVCZMXNLZ-LRDDRELGSA-N 1 0 384.929 2.820 20 0 GFADRO Cc1nn(C)c(Br)c1C(=O)N[C@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000800941428 659355443 /nfs/dbraw/zinc/35/54/43/659355443.db2.gz AFQDEZKYBFOXKW-IUODEOHRSA-N 1 0 379.302 2.912 20 0 GFADRO O=C(COc1ccccc1)N1CC[C@H]([NH2+][C@@H]2CC[C@@H]3SCCS[C@@H]23)C1 ZINC000800994413 659362504 /nfs/dbraw/zinc/36/25/04/659362504.db2.gz VDPLGBWUGKRTOE-RUENVJTFSA-N 1 0 378.563 2.636 20 0 GFADRO Cc1nn(C)c(Br)c1C(=O)N1CC[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC000801096458 659367776 /nfs/dbraw/zinc/36/77/76/659367776.db2.gz XRBDLWSMJRELIS-HNNXBMFYSA-N 1 0 391.313 2.838 20 0 GFADRO C[NH+](C)C[C@@H](NC(=O)C(=O)Nc1ccc(Cl)nc1)c1ccc(Cl)cc1 ZINC000802633347 659490890 /nfs/dbraw/zinc/49/08/90/659490890.db2.gz GCKZLQIAJIZYNM-CQSZACIVSA-N 1 0 381.263 2.746 20 0 GFADRO C[C@H](CCNS(=O)(=O)c1ccccc1)[NH2+][C@@H]1CC[C@@H]2SCCS[C@@H]12 ZINC000802660275 659493604 /nfs/dbraw/zinc/49/36/04/659493604.db2.gz GXCLUWNZDBLXNG-SIXLDLHFSA-N 1 0 386.608 2.713 20 0 GFADRO C[N@@H+]1CCC[C@@H]2CN(CN3Cc4c(cccc4Br)C3=O)CC[C@H]21 ZINC000802732184 659500129 /nfs/dbraw/zinc/50/01/29/659500129.db2.gz BOQQEHQZJBLMJC-CXAGYDPISA-N 1 0 378.314 2.779 20 0 GFADRO COc1ccc([C@@H](C[NH+](C)C)NC(=O)c2c(C)nn(C)c2Br)cc1 ZINC000803807594 659606454 /nfs/dbraw/zinc/60/64/54/659606454.db2.gz MVEKFPCYSWXLRG-CQSZACIVSA-N 1 0 395.301 2.532 20 0 GFADRO Cc1nc(SC(F)(F)F)sc1CC(=O)N[C@@H]1CCc2cncn2C1 ZINC000804335046 659635679 /nfs/dbraw/zinc/63/56/79/659635679.db2.gz QCGMMYFFXCXDII-SECBINFHSA-N 1 0 376.429 2.934 20 0 GFADRO CNC(=O)OC[C@H]1CCCC[N@@H+]1C[C@H](O)COc1c(Cl)cccc1Cl ZINC000805828710 659808114 /nfs/dbraw/zinc/80/81/14/659808114.db2.gz PHTFOGQROUJFFE-OLZOCXBDSA-N 1 0 391.295 2.944 20 0 GFADRO COc1nc(Br)ccc1NC(=O)N1C[C@H]([NH+]2CCCC2)C[C@@H]1C ZINC000806451598 659832557 /nfs/dbraw/zinc/83/25/57/659832557.db2.gz QONCARCJTCCDDQ-NWDGAFQWSA-N 1 0 383.290 2.943 20 0 GFADRO Cc1ccc(-c2csc(NC(=O)C(=O)NCC[N@H+]3CCC[C@H]3C)n2)s1 ZINC000806918528 659844377 /nfs/dbraw/zinc/84/43/77/659844377.db2.gz BQRBIRTYPUMKRF-LLVKDONJSA-N 1 0 378.523 2.719 20 0 GFADRO CC(C)N1CCc2nc(NC(=O)c3cnc(C4OCCO4)s3)sc2C1 ZINC000807224603 659849924 /nfs/dbraw/zinc/84/99/24/659849924.db2.gz RZPRYTYWUBVIHK-UHFFFAOYSA-N 1 0 380.495 2.664 20 0 GFADRO CC[C@@H](C)[NH2+][C@@H](CNC(=O)c1c(C)nn(C)c1Br)c1ccco1 ZINC000807681368 659862097 /nfs/dbraw/zinc/86/20/97/659862097.db2.gz IQDCBKAFQDHTIB-PWSUYJOCSA-N 1 0 383.290 2.943 20 0 GFADRO Cc1nn(C)c(Br)c1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H]1C ZINC000807740039 659863369 /nfs/dbraw/zinc/86/33/69/659863369.db2.gz RVNVNVOFYMJQBK-ZFWWWQNUSA-N 1 0 391.313 2.884 20 0 GFADRO C[C@H](Sc1nc2ccccc2s1)C(=O)N[C@H](CO)C[NH+]1CCCCC1 ZINC000808080561 659875787 /nfs/dbraw/zinc/87/57/87/659875787.db2.gz FMXDFWYSFNUZQH-KBPBESRZSA-N 1 0 379.551 2.740 20 0 GFADRO O=C(/C=C(/c1ccc(Cl)cc1)C(F)(F)F)N[C@H](CO)C[NH+]1CCCC1 ZINC000808225215 659882820 /nfs/dbraw/zinc/88/28/20/659882820.db2.gz YTEIRXUIIYKVKD-BUYRESAOSA-N 1 0 376.806 2.859 20 0 GFADRO C[NH+](C)CCOc1ccc(C=CC(=O)Nc2ccncc2Br)cc1 ZINC000808646044 659901124 /nfs/dbraw/zinc/90/11/24/659901124.db2.gz CDSRIQJOXSCZPN-YVMONPNESA-N 1 0 390.281 2.858 20 0 GFADRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]Cc3c(Cl)n(C)nc3C(F)(F)F)[C@H]2C1 ZINC000808782792 659905967 /nfs/dbraw/zinc/90/59/67/659905967.db2.gz CXAVOJLCKWNMSU-DRZSPHRISA-N 1 0 378.826 2.829 20 0 GFADRO C[C@@](O)(C[NH2+]Cc1ccc(Cl)c(S(N)(=O)=O)c1)c1ccccc1Cl ZINC000809425733 659927547 /nfs/dbraw/zinc/92/75/47/659927547.db2.gz SCYWBJRZBLSHRP-MRXNPFEDSA-N 1 0 389.304 2.638 20 0 GFADRO CC(C)C[N@@H+]1CCO[C@@H](CNCc2nc3ccccn3c2Br)C1 ZINC000809602546 659933499 /nfs/dbraw/zinc/93/34/99/659933499.db2.gz QVJYZLNTHIBQPF-AWEZNQCLSA-N 1 0 381.318 2.543 20 0 GFADRO CCS(=O)(=O)CC[N@H+](C)C[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)CC1 ZINC000809967033 659953845 /nfs/dbraw/zinc/95/38/45/659953845.db2.gz XHAPMQUQOXZYHG-WKILWMFISA-N 1 0 376.563 2.684 20 0 GFADRO O=C(NC[C@H]1CCC[N@@H+](C[C@H](O)Cc2cccc(Cl)c2)C1)C(F)(F)F ZINC000810069445 659959033 /nfs/dbraw/zinc/95/90/33/659959033.db2.gz DWICKUTUNIFYOD-UKRRQHHQSA-N 1 0 378.822 2.634 20 0 GFADRO Cn1nnc(Br)c1C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000810185624 659965532 /nfs/dbraw/zinc/96/55/32/659965532.db2.gz CTUPFQBARLOLBB-UHFFFAOYSA-N 1 0 392.301 2.858 20 0 GFADRO C[C@@H]([NH2+]CCOc1ccc(S(C)(=O)=O)cc1)c1ccc(Br)nc1 ZINC000810216722 659966690 /nfs/dbraw/zinc/96/66/90/659966690.db2.gz MYZGPBGSAAEJDG-GFCCVEGCSA-N 1 0 399.310 2.977 20 0 GFADRO C[C@@H]([NH2+]C[C@@]1(N2CCOCC2)CCSC1)c1ccc(Br)nc1 ZINC000810212954 659966790 /nfs/dbraw/zinc/96/67/90/659966790.db2.gz HYZGLYDRBFRQDS-CJNGLKHVSA-N 1 0 386.359 2.703 20 0 GFADRO O=C(NCCCC[N@H+]1CCC[C@H]1CO)c1cc(C(F)(F)F)cc(Cl)n1 ZINC000810753900 659984777 /nfs/dbraw/zinc/98/47/77/659984777.db2.gz ILVHGGDHUNZMSU-LBPRGKRZSA-N 1 0 379.810 2.721 20 0 GFADRO C[C@H]1C[N@H+](CCCNC(=O)c2cc(C(F)(F)F)cc(Cl)n2)CCCO1 ZINC000811456692 660009182 /nfs/dbraw/zinc/00/91/82/660009182.db2.gz BBXNRBGJMGJTAX-NSHDSACASA-N 1 0 379.810 2.985 20 0 GFADRO C[NH+](C)CCNC(=O)c1ccc(CNCc2ccnc(Cl)c2Cl)cc1 ZINC000811486783 660010284 /nfs/dbraw/zinc/01/02/84/660010284.db2.gz NPHHBGHQFSKRAA-UHFFFAOYSA-N 1 0 381.307 2.970 20 0 GFADRO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)CN1C(=S)N=NC1c1ccc(Cl)cc1 ZINC000812309930 660023565 /nfs/dbraw/zinc/02/35/65/660023565.db2.gz LFDNLZFLASOTDE-GFCCVEGCSA-N 1 0 381.933 2.732 20 0 GFADRO O=S1(=O)CCC(CC[NH2+]Cc2c(F)ccc(C3OCCO3)c2Cl)CC1 ZINC000812842894 660035763 /nfs/dbraw/zinc/03/57/63/660035763.db2.gz YJHBQYARXOHKBB-UHFFFAOYSA-N 1 0 391.892 2.829 20 0 GFADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1nc(C2CC2)ncc1Br ZINC000813815431 660065406 /nfs/dbraw/zinc/06/54/06/660065406.db2.gz NACCRDKXPFFSKK-OLZOCXBDSA-N 1 0 379.302 2.815 20 0 GFADRO NC(=O)NC(=O)OCCC[N@@H+]1CC[C@H](Cc2ccc(Br)cc2)C1 ZINC000814676978 660093558 /nfs/dbraw/zinc/09/35/58/660093558.db2.gz KZTGJNZEFNTDOQ-CYBMUJFWSA-N 1 0 384.274 2.509 20 0 GFADRO COCC1(CC[NH2+]Cc2c(C)nn([C@H]3CCS(=O)(=O)C3)c2Cl)CCC1 ZINC000815148503 660114407 /nfs/dbraw/zinc/11/44/07/660114407.db2.gz YAJTUFYKLBNBSQ-AWEZNQCLSA-N 1 0 389.949 2.501 20 0 GFADRO CN(C)C(=O)OC1CC[NH+](C[C@H](O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000815190555 660116074 /nfs/dbraw/zinc/11/60/74/660116074.db2.gz UTLXNTHPSKMBKH-LBPRGKRZSA-N 1 0 391.295 2.896 20 0 GFADRO CC(C)[C@@H](C[NH2+]C1CCC(CS(C)(=O)=O)CC1)NC(=O)OC(C)(C)C ZINC000815581193 660126069 /nfs/dbraw/zinc/12/60/69/660126069.db2.gz YTDKVNCSZQMNAT-UYSNPLJNSA-N 1 0 376.563 2.729 20 0 GFADRO CS(=O)(=O)CCN1CCC([NH2+][C@@H](Cc2ccccc2Cl)C2CC2)CC1 ZINC000815578853 660126093 /nfs/dbraw/zinc/12/60/93/660126093.db2.gz YWKJRBHXBSWKII-IBGZPJMESA-N 1 0 384.973 2.760 20 0 GFADRO CS(=O)(=O)CC1CCC([NH2+]C[C@H](O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000815627178 660126770 /nfs/dbraw/zinc/12/67/70/660126770.db2.gz VTPPSTDNMUHCAH-MOQPWLNLSA-N 1 0 379.444 2.932 20 0 GFADRO CC(C)C[N@@H+]1CCO[C@H](COC(=O)Cc2cscc2Br)C1 ZINC000815948851 660137324 /nfs/dbraw/zinc/13/73/24/660137324.db2.gz WHFZXPUIDPYJTF-ZDUSSCGKSA-N 1 0 376.316 2.953 20 0 GFADRO CSc1nc2ccc(NC(=O)N3C[C@@H](C)N(CCO)C[C@@H]3C)cc2s1 ZINC000841596776 661306554 /nfs/dbraw/zinc/30/65/54/661306554.db2.gz LWIDQDHOHSDYMB-NEPJUHHUSA-N 1 0 380.539 2.937 20 0 GFADRO O=C(NCCSCc1ccnc(Cl)c1)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000841877146 661317142 /nfs/dbraw/zinc/31/71/42/661317142.db2.gz XSQPVTSUPFESPW-HOTGVXAUSA-N 1 0 382.961 2.999 20 0 GFADRO O=C(NCCSCc1ccnc(Cl)c1)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000841877148 661317196 /nfs/dbraw/zinc/31/71/96/661317196.db2.gz XSQPVTSUPFESPW-JKSUJKDBSA-N 1 0 382.961 2.999 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H](NC(=O)N2CCO[C@@H](c3ccccc3Br)C2)C1 ZINC000841982368 661318904 /nfs/dbraw/zinc/31/89/04/661318904.db2.gz VQDBMZKBAIBGDE-XJKCOSOUSA-N 1 0 382.302 2.802 20 0 GFADRO COC(=O)c1ccc(CNC(=O)N[C@@H](C)CCCC[NH3+])c(Br)c1 ZINC000841996792 661319163 /nfs/dbraw/zinc/31/91/63/661319163.db2.gz UOWNLQAOMGWMLR-NSHDSACASA-N 1 0 386.290 2.552 20 0 GFADRO CN(C[C@H](O)c1ccccc1Br)C(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000841993875 661319241 /nfs/dbraw/zinc/31/92/41/661319241.db2.gz AXKZPWFTQLKKMC-ZQIUZPCESA-N 1 0 398.345 2.889 20 0 GFADRO CN(C(=O)C(=O)NCCCc1ccc(Cl)cc1Cl)C1CCC([NH3+])CC1 ZINC000842060116 661321445 /nfs/dbraw/zinc/32/14/45/661321445.db2.gz ZKUNBKUEQKREGZ-UHFFFAOYSA-N 1 0 386.323 2.771 20 0 GFADRO [NH3+][C@H]1Cc2ccccc2N(S(=O)(=O)c2cc3c(cc2Cl)CCC3=O)C1 ZINC000842484755 661341715 /nfs/dbraw/zinc/34/17/15/661341715.db2.gz RXRLVGCRDWSMFP-ZDUSSCGKSA-N 1 0 376.865 2.548 20 0 GFADRO C[NH2+]C[C@@H](C)c1noc([C@@H]2CCN(c3ccccc3Br)C2=O)n1 ZINC000842578762 661344167 /nfs/dbraw/zinc/34/41/67/661344167.db2.gz GZSWSFOQYKKBBH-MNOVXSKESA-N 1 0 379.258 2.676 20 0 GFADRO Ic1cccc(OCc2nc([C@H]3CCC[NH2+]C3)no2)c1 ZINC000842670957 661348339 /nfs/dbraw/zinc/34/83/39/661348339.db2.gz UIXSKORIOYPWKF-JTQLQIEISA-N 1 0 385.205 2.720 20 0 GFADRO Cn1cc(N2CCC[C@@H]([NH2+]Cc3cc(Br)cnc3Cl)C2)cn1 ZINC000842683894 661349042 /nfs/dbraw/zinc/34/90/42/661349042.db2.gz FGLRUWORYBREFB-CYBMUJFWSA-N 1 0 384.709 2.990 20 0 GFADRO COc1ccc2nc(Cl)ccc2c1S(=O)(=O)N1CCC[C@H](C)[C@H]1C[NH3+] ZINC000842722263 661350969 /nfs/dbraw/zinc/35/09/69/661350969.db2.gz ONROLLVFCYFYOJ-SMDDNHRTSA-N 1 0 383.901 2.645 20 0 GFADRO COC(=O)c1cc(S(=O)(=O)NCCC[C@H]2CCC[NH2+]2)c(Cl)cc1Cl ZINC000842896109 661359475 /nfs/dbraw/zinc/35/94/75/661359475.db2.gz SJXCBVBPBNTOQU-SNVBAGLBSA-N 1 0 395.308 2.591 20 0 GFADRO COC(=O)c1cc(S(=O)(=O)NCCCCCC[NH3+])c(Cl)cc1Cl ZINC000842921410 661360472 /nfs/dbraw/zinc/36/04/72/661360472.db2.gz ZIIUBCBOTRRAAE-UHFFFAOYSA-N 1 0 383.297 2.577 20 0 GFADRO CCOc1c(Cl)cc(NC(=O)C(=O)NCCCCCC[NH3+])cc1Cl ZINC000843052305 661365348 /nfs/dbraw/zinc/36/53/48/661365348.db2.gz NDIDDRYFZVLRLZ-UHFFFAOYSA-N 1 0 376.284 2.966 20 0 GFADRO C[C@H]([NH2+]CCS(=O)(=O)c1cccc(Br)c1)[C@H](O)c1ccccc1 ZINC000843064460 661365851 /nfs/dbraw/zinc/36/58/51/661365851.db2.gz YRKQWTDCFFOFAR-GUYCJALGSA-N 1 0 398.322 2.935 20 0 GFADRO CC(C)C[C@H](O)C[NH2+]C[C@H](O)COc1ccc(Cl)cc1Br ZINC000843067863 661365980 /nfs/dbraw/zinc/36/59/80/661365980.db2.gz BZSTYXIFIGAREU-STQMWFEESA-N 1 0 380.710 2.839 20 0 GFADRO CC(C)C[C@H](O)C[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000843067861 661366005 /nfs/dbraw/zinc/36/60/05/661366005.db2.gz BZSTYXIFIGAREU-QWHCGFSZSA-N 1 0 380.710 2.839 20 0 GFADRO CC(C)(C)OC(=O)NC[C@](C)(O)C[NH2+]C[C@H](O)c1ccc(Cl)cc1Cl ZINC000843075778 661366848 /nfs/dbraw/zinc/36/68/48/661366848.db2.gz OZXQABHOGDGGCQ-WMLDXEAASA-N 1 0 393.311 2.892 20 0 GFADRO O[C@@H](C[NH2+]C[C@@H](O)c1cccc(F)c1)COc1ccccc1Br ZINC000843094269 661367400 /nfs/dbraw/zinc/36/74/00/661367400.db2.gz KDFREVQXRAKNQP-GOEBONIOSA-N 1 0 384.245 2.651 20 0 GFADRO COc1ccc([C@H](CO)C[NH2+]C[C@@H](O)c2ccc(Br)cc2)cc1 ZINC000843094259 661367478 /nfs/dbraw/zinc/36/74/78/661367478.db2.gz JZSJYPWEBLZXFQ-MAUKXSAKSA-N 1 0 380.282 2.857 20 0 GFADRO CN(Cc1ccccc1)C[C@@H](O)C[NH2+]C[C@@H](O)c1ccccc1Br ZINC000843092438 661367486 /nfs/dbraw/zinc/36/74/86/661367486.db2.gz CZMNFSNKUAYHOX-QFBILLFUSA-N 1 0 393.325 2.565 20 0 GFADRO O[C@H](C[NH2+]C[C@H](O)c1ccccc1Br)COCc1ccccc1F ZINC000843092452 661367547 /nfs/dbraw/zinc/36/75/47/661367547.db2.gz DAVZJCWGLBFCRO-KDOFPFPSSA-N 1 0 398.272 2.789 20 0 GFADRO O[C@H](C[NH2+]C[C@H](O)c1ccc(F)cc1)COc1ccccc1Br ZINC000843098423 661367938 /nfs/dbraw/zinc/36/79/38/661367938.db2.gz WSWJVMGCBHHDCC-ZBFHGGJFSA-N 1 0 384.245 2.651 20 0 GFADRO O[C@@H](C[NH2+]C[C@H](O)COCc1cccs1)c1cccc(Br)c1 ZINC000843114168 661369193 /nfs/dbraw/zinc/36/91/93/661369193.db2.gz PMJYWNVVDOTGET-HOCLYGCPSA-N 1 0 386.311 2.711 20 0 GFADRO Ic1ccc(/C=C\c2nc(CC3CC[NH2+]CC3)no2)o1 ZINC000843134330 661370575 /nfs/dbraw/zinc/37/05/75/661370575.db2.gz OWLGDKUGGUFPSE-RQOWECAXSA-N 1 0 385.205 2.980 20 0 GFADRO Ic1ccc(Cc2nc(CC3CC[NH2+]CC3)no2)cc1 ZINC000843135617 661370606 /nfs/dbraw/zinc/37/06/06/661370606.db2.gz MYIBSJMXXPWPAK-UHFFFAOYSA-N 1 0 383.233 2.807 20 0 GFADRO COc1cc(Br)c(Cc2noc([C@@]3(F)CC[NH2+]C3)n2)cc1OC ZINC000843198797 661371862 /nfs/dbraw/zinc/37/18/62/661371862.db2.gz UMOOVSHJSWVVFR-OAHLLOKOSA-N 1 0 386.221 2.598 20 0 GFADRO COc1cc(Cc2noc(CCC[NH3+])n2)cc(Br)c1OC(F)F ZINC000843203338 661372418 /nfs/dbraw/zinc/37/24/18/661372418.db2.gz QUBKHEXPDZNAAZ-UHFFFAOYSA-N 1 0 392.200 2.924 20 0 GFADRO [NH3+]CCCCc1nc(Cc2cc(Br)c3c(c2)OCCCO3)no1 ZINC000843203483 661372474 /nfs/dbraw/zinc/37/24/74/661372474.db2.gz SGKPFQRJSZHSAW-UHFFFAOYSA-N 1 0 382.258 2.866 20 0 GFADRO Brc1cc(-c2noc([C@@H]3C[NH2+]CCO3)n2)c(Br)s1 ZINC000843224807 661373562 /nfs/dbraw/zinc/37/35/62/661373562.db2.gz SGPSLYKNHRUEEV-LURJTMIESA-N 1 0 395.076 2.984 20 0 GFADRO [NH3+][C@H](Cc1nc(COc2ccc(I)cc2)no1)C1CC1 ZINC000843227029 661373940 /nfs/dbraw/zinc/37/39/40/661373940.db2.gz PGNNFIBNQSBABZ-GFCCVEGCSA-N 1 0 385.205 2.533 20 0 GFADRO C[N@@H+]1C[C@@H](CNC(=O)c2nc(Br)cs2)[C@H](c2ccccc2)C1 ZINC000843311171 661377663 /nfs/dbraw/zinc/37/76/63/661377663.db2.gz JTFQNPDTIZHDKK-OLZOCXBDSA-N 1 0 380.311 2.981 20 0 GFADRO COc1c(Br)cc(Cl)cc1NC(=O)CO[C@@H]1CCC[NH2+]C1 ZINC000843372260 661378829 /nfs/dbraw/zinc/37/88/29/661378829.db2.gz RBOKFDZFBGKARY-SNVBAGLBSA-N 1 0 377.666 2.818 20 0 GFADRO O=C(CO[C@@H]1CCC[NH2+]C1)N1CCO[C@H](c2cc(F)c(Cl)cc2Cl)C1 ZINC000843431628 661381222 /nfs/dbraw/zinc/38/12/22/661381222.db2.gz JCSLTPNXYLAVKP-BZNIZROVSA-N 1 0 391.270 2.801 20 0 GFADRO [NH3+]CCCCCCNC(=O)c1cc(F)c(F)cc1I ZINC000843512870 661383747 /nfs/dbraw/zinc/38/37/47/661383747.db2.gz ZHCHEZXWSIVHIB-UHFFFAOYSA-N 1 0 382.192 2.818 20 0 GFADRO O=C(/C=C/c1ccc(I)o1)N[C@H]1CC[NH2+]C12CCCC2 ZINC000843513283 661383904 /nfs/dbraw/zinc/38/39/04/661383904.db2.gz AIHHDTAUJKBKCX-FUEXJSSKSA-N 1 0 386.233 2.688 20 0 GFADRO COCCS(=O)(=O)CCC[NH2+]C1(c2ccccc2Br)CCC1 ZINC000844352274 661416478 /nfs/dbraw/zinc/41/64/78/661416478.db2.gz XIRMPUSSWKSMCU-UHFFFAOYSA-N 1 0 390.343 2.869 20 0 GFADRO C[C@H](C[N@@H+]1CCC[C@H](C)[C@@H]1CCNC(=O)OC(C)(C)C)CS(C)(=O)=O ZINC000844400172 661419415 /nfs/dbraw/zinc/41/94/15/661419415.db2.gz JOORKWGUVMMRCZ-PMPSAXMXSA-N 1 0 376.563 2.682 20 0 GFADRO COC(=O)[C@@H]1C[N@H+](C[C@@H](O)c2ccc(F)c(Br)c2)C[C@H]1C1CC1 ZINC000844478602 661422520 /nfs/dbraw/zinc/42/25/20/661422520.db2.gz REXRPSUUUNGGBE-WOSRLPQWSA-N 1 0 386.261 2.753 20 0 GFADRO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCN(Cc3nc4ccccn4c3Br)C2)C1 ZINC000844900954 661448323 /nfs/dbraw/zinc/44/83/23/661448323.db2.gz BZRQBXIQIJGSDY-SQWLQELKSA-N 1 0 393.329 2.815 20 0 GFADRO CC(C)(c1noc([C@]23C[NH2+]C[C@H]2COC3)n1)c1ccc(Br)cc1 ZINC000844917579 661449273 /nfs/dbraw/zinc/44/92/73/661449273.db2.gz SMUOVESZRGSQOF-SJCJKPOMSA-N 1 0 378.270 2.645 20 0 GFADRO O=C(NCCC[C@@H]1CC1(Cl)Cl)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000845063385 661455091 /nfs/dbraw/zinc/45/50/91/661455091.db2.gz ISCBSJOMMXHCSY-VHDGCEQUSA-N 1 0 378.344 2.637 20 0 GFADRO C[C@]1(CCNC(=O)N2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)CC1(Cl)Cl ZINC000846169892 661534831 /nfs/dbraw/zinc/53/48/31/661534831.db2.gz GUWRNOGBSVYNTH-FQLMCAECSA-N 1 0 378.344 2.888 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(S(=O)(=O)/C=C\c3ccc(Cl)cc3)C2)C1 ZINC000846231217 661539187 /nfs/dbraw/zinc/53/91/87/661539187.db2.gz OJGAYHPWAQWITH-CCNSIMSXSA-N 1 0 384.929 2.859 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(S(=O)(=O)/C=C\c3ccc(Cl)cc3)C2)C1 ZINC000846231220 661539280 /nfs/dbraw/zinc/53/92/80/661539280.db2.gz OJGAYHPWAQWITH-GIGJUJFDSA-N 1 0 384.929 2.859 20 0 GFADRO Cc1cnc(Br)c(NC(=O)N2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)c1 ZINC000846311686 661544666 /nfs/dbraw/zinc/54/46/66/661544666.db2.gz OCRSPKJVUJHKPO-KCQAQPDRSA-N 1 0 397.317 2.903 20 0 GFADRO C[NH+](C)[C@H]1C[C@@H](CN2C(=O)N[C@](C)(c3cccc(Br)c3)C2=O)C1 ZINC000846785365 661566031 /nfs/dbraw/zinc/56/60/31/661566031.db2.gz DYNWITJNUVHTQU-HYSWKAIVSA-N 1 0 380.286 2.556 20 0 GFADRO CC(C)(C)OC(=O)N1CC[C@](O)(C[N@@H+]2CC[C@]3(C)[C@H](C2)C3(Cl)Cl)C1 ZINC000846896634 661569665 /nfs/dbraw/zinc/56/96/65/661569665.db2.gz XTRIUJDDOFDBCP-MAZHCROVSA-N 1 0 379.328 2.874 20 0 GFADRO CC[NH+](CC)CC[C@@H](CO)NC(=O)C(F)(F)c1ccc(Br)cc1 ZINC000846997973 661572891 /nfs/dbraw/zinc/57/28/91/661572891.db2.gz CNFSEQNLNMCVPA-AWEZNQCLSA-N 1 0 393.272 2.750 20 0 GFADRO Cc1nc(SC(F)F)sc1CC(=O)NC[C@H](C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000847179945 661579911 /nfs/dbraw/zinc/57/99/11/661579911.db2.gz YIFNBVKCKVKQHT-GARJFASQSA-N 1 0 393.525 2.923 20 0 GFADRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)N2CCO[C@@H](c3ccccc3Br)C2)C1 ZINC000847410108 661591148 /nfs/dbraw/zinc/59/11/48/661591148.db2.gz YBPFUXHOUJNSRS-JKIFEVAISA-N 1 0 396.329 2.872 20 0 GFADRO C[NH+](C)CCOc1ccc(CNC(=O)c2cnc(F)c(Br)c2)cc1 ZINC000847430206 661592320 /nfs/dbraw/zinc/59/23/20/661592320.db2.gz CFLONNALEPWIHX-UHFFFAOYSA-N 1 0 396.260 2.854 20 0 GFADRO COC1CC[NH+](C(C)(C)CNC(=O)c2nc(F)ccc2Br)CC1 ZINC000847468648 661593631 /nfs/dbraw/zinc/59/36/31/661593631.db2.gz BIYVRFVUTVEWAX-UHFFFAOYSA-N 1 0 388.281 2.602 20 0 GFADRO C[C@@H](COC(=O)CN(C)C(=O)c1ccc(Br)o1)[NH+]1CCCCC1 ZINC000847961031 661618619 /nfs/dbraw/zinc/61/86/19/661618619.db2.gz QONADPQJWXVQEY-LBPRGKRZSA-N 1 0 387.274 2.532 20 0 GFADRO CCC(C)(C)[NH+]1CCN(Cn2nc(N(C(C)=O)C3CC3)sc2=S)CC1 ZINC000848495239 661655913 /nfs/dbraw/zinc/65/59/13/661655913.db2.gz CIHKHTOUYAFBKN-UHFFFAOYSA-N 1 0 383.587 2.953 20 0 GFADRO C[C@H]([NH2+]C[C@@H]1CN(C2CC2)C(=O)O1)c1ccc(I)cc1 ZINC000848571065 661666092 /nfs/dbraw/zinc/66/60/92/661666092.db2.gz OTFIYDMMVSRALB-IINYFYTJSA-N 1 0 386.233 2.925 20 0 GFADRO Cc1c(Br)cccc1C[NH2+]C[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC000848676383 661672086 /nfs/dbraw/zinc/67/20/86/661672086.db2.gz MAYFYQGSFRJJCO-QGZVFWFLSA-N 1 0 398.322 2.984 20 0 GFADRO [NH2+]=C(NCc1cc(Br)ccc1OC(F)F)NC[C@@H]1CCCO1 ZINC000849006447 661690354 /nfs/dbraw/zinc/69/03/54/661690354.db2.gz KCVBEZOFQMYAND-NSHDSACASA-N 1 0 378.217 2.843 20 0 GFADRO C[C@@H](NC(=[NH2+])NCCS(=O)(=O)NC(C)(C)C)c1ccc(Cl)cc1Cl ZINC000849070851 661690909 /nfs/dbraw/zinc/69/09/09/661690909.db2.gz IELWXYGGMRFAFK-SNVBAGLBSA-N 1 0 395.356 2.886 20 0 GFADRO C[C@@H](CN1C(=O)N[C@@H](c2ccccc2Br)C1=O)C[NH+]1CCCC1 ZINC000849351275 661708109 /nfs/dbraw/zinc/70/81/09/661708109.db2.gz FBYZLPJZUYOCAM-DOMZBBRYSA-N 1 0 380.286 2.774 20 0 GFADRO C[C@@H]1C[C@@H](N2C(=O)N[C@@H](c3ccccc3Br)C2=O)C[N@@H+]1C1CC1 ZINC000849354393 661709057 /nfs/dbraw/zinc/70/90/57/661709057.db2.gz PIGQQLQRGBZOBD-HCKVZZMMSA-N 1 0 378.270 2.667 20 0 GFADRO Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)Nc2ccc(Br)cc2)cn1 ZINC000849482857 661733212 /nfs/dbraw/zinc/73/32/12/661733212.db2.gz UDNTZQAVTUNIPP-JKSUJKDBSA-N 1 0 377.286 2.857 20 0 GFADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)NCc2csc(Br)c2)cn1 ZINC000849501905 661733576 /nfs/dbraw/zinc/73/35/76/661733576.db2.gz YAWXBDCFEAWFGY-KBPBESRZSA-N 1 0 397.342 2.596 20 0 GFADRO Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)Nc2ccc(F)c(Br)c2)cn1 ZINC000849552876 661734231 /nfs/dbraw/zinc/73/42/31/661734231.db2.gz LMKWZVFAPRYHCJ-UONOGXRCSA-N 1 0 395.276 2.996 20 0 GFADRO Cn1ncc(CCC[NH2+]Cc2cc(Cl)ccc2I)n1 ZINC000850310565 661769854 /nfs/dbraw/zinc/76/98/54/661769854.db2.gz GKZHPVKWGJLQRR-UHFFFAOYSA-N 1 0 390.656 2.796 20 0 GFADRO O=[S@](CC[NH2+]Cc1cnn(Cc2ccccc2)c1Cl)CC(F)(F)F ZINC000850349558 661771106 /nfs/dbraw/zinc/77/11/06/661771106.db2.gz HTUWQJSDQNINCN-XMMPIXPASA-N 1 0 379.835 2.985 20 0 GFADRO CC(C)(C)OC(=O)Nc1ncc(C[NH2+]CC[S@@](=O)CC(F)(F)F)s1 ZINC000850349762 661771248 /nfs/dbraw/zinc/77/12/48/661771248.db2.gz JVZNWKVZXRXIBE-XMMPIXPASA-N 1 0 387.449 2.891 20 0 GFADRO Cc1nn(C)c2nc(Cl)c(C[NH2+]CC3(S(C)(=O)=O)CCCCC3)cc12 ZINC000850377017 661773591 /nfs/dbraw/zinc/77/35/91/661773591.db2.gz SLOVRTZGUYMQBK-UHFFFAOYSA-N 1 0 384.933 2.767 20 0 GFADRO O=C1O[C@H](C[NH2+][C@H]2CCc3ccc(I)cc32)CN1C1CC1 ZINC000850476775 661778067 /nfs/dbraw/zinc/77/80/67/661778067.db2.gz QDGBLBIHFYGUKP-HIFRSBDPSA-N 1 0 398.244 2.851 20 0 GFADRO COc1cc([C@H](C)[NH2+]CCO[C@H]2CC2(F)F)ccc1S(=O)(=O)C(F)F ZINC000850518840 661780602 /nfs/dbraw/zinc/78/06/02/661780602.db2.gz FKIUIZYWVUDTJI-ZANVPECISA-N 1 0 385.379 2.766 20 0 GFADRO CCc1ccccc1NC(=O)C[C@H](C)[NH2+]CCS(=O)(=O)CC(F)(F)F ZINC000850519331 661780843 /nfs/dbraw/zinc/78/08/43/661780843.db2.gz KJZPYHUUNDRRMI-LBPRGKRZSA-N 1 0 380.432 2.533 20 0 GFADRO C[C@@H]1CCCN(S(=O)(=O)c2cc3c(cc2Cl)CCC3=O)[C@@H]1CCC[NH3+] ZINC000850591219 661782855 /nfs/dbraw/zinc/78/28/55/661782855.db2.gz NYXSKULTNPMSDI-MLGOLLRUSA-N 1 0 384.929 2.997 20 0 GFADRO [NH3+]CCOc1cccc(NC(=O)c2sc3c(c2Br)CNC3)c1 ZINC000851630481 661826719 /nfs/dbraw/zinc/82/67/19/661826719.db2.gz HXTOPVAXDSZORD-UHFFFAOYSA-N 1 0 382.283 2.704 20 0 GFADRO CO[C@@H]1CC[C@@H]([NH+]2CCN(C(=O)COc3ccc(Br)cc3)CC2)C1 ZINC000851768714 661831277 /nfs/dbraw/zinc/83/12/77/661831277.db2.gz OCIAWHSFBWGFBB-NVXWUHKLSA-N 1 0 397.313 2.540 20 0 GFADRO CCOP(=O)(OCC)[C@H](O)C[N@H+](C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000851794099 661832403 /nfs/dbraw/zinc/83/24/03/661832403.db2.gz DHPUTRMMKAFQCU-KBPBESRZSA-N 1 0 380.422 2.512 20 0 GFADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)N2CCn3ncc(Br)c3C2)C1 ZINC000851979013 661847617 /nfs/dbraw/zinc/84/76/17/661847617.db2.gz SEXFJIJIAGLUJN-OKILXGFUSA-N 1 0 398.349 2.539 20 0 GFADRO Clc1ccc(C[C@@]2([NH2+]CCn3cnc(Br)n3)CCOC2)cc1 ZINC000852014402 661849344 /nfs/dbraw/zinc/84/93/44/661849344.db2.gz OTCFQCVQHPLQNX-HNNXBMFYSA-N 1 0 385.693 2.685 20 0 GFADRO CC(=O)c1nc(CC[N@@H+](C)C[C@H](O)c2ccccc2Br)[nH]c1C ZINC000852150320 661854707 /nfs/dbraw/zinc/85/47/07/661854707.db2.gz VCPNDFWHPJRNTC-HNNXBMFYSA-N 1 0 380.286 2.891 20 0 GFADRO CC(C)(C)OC(=O)CC[C@@H]1CCC[N@H+](CCn2cnc(Br)n2)C1 ZINC000852176630 661855856 /nfs/dbraw/zinc/85/58/56/661855856.db2.gz CJEAJOBIOVPKEL-ZDUSSCGKSA-N 1 0 387.322 2.875 20 0 GFADRO CC(C)[N@H+](C)C[C@@H](O)CN1CC[C@@]2(C)[C@@H](C1)C2(Br)Br ZINC000852337299 661861455 /nfs/dbraw/zinc/86/14/55/661861455.db2.gz NXRLUYCFHCXIPK-UPJWGTAASA-N 1 0 398.183 2.515 20 0 GFADRO Cc1nnsc1C[NH+]1CCC([C@@H]2CCCN(C(=O)C(F)(F)F)C2)CC1 ZINC000852604320 661867796 /nfs/dbraw/zinc/86/77/96/661867796.db2.gz PPQJAJHXZUEISQ-CYBMUJFWSA-N 1 0 376.448 2.859 20 0 GFADRO [NH3+]C[C@H]1CC(C(=O)Nc2ncc(Cc3ccc(Br)cc3)s2)=NO1 ZINC000852805539 661874892 /nfs/dbraw/zinc/87/48/92/661874892.db2.gz CIFSZKACMMFBFF-LLVKDONJSA-N 1 0 395.282 2.539 20 0 GFADRO C[NH+]1CCC(CNC(=S)N2CCOc3cc(Br)ccc3C2)CC1 ZINC000853046975 661879609 /nfs/dbraw/zinc/87/96/09/661879609.db2.gz FQKLGCYTHRJCNP-UHFFFAOYSA-N 1 0 398.370 2.860 20 0 GFADRO Brc1ccc(-c2ccn(C[N@@H+]3CC[C@@H](Cn4ccnn4)C3)n2)cc1 ZINC000853524466 661890865 /nfs/dbraw/zinc/89/08/65/661890865.db2.gz LOPUMWWHABVFFU-CQSZACIVSA-N 1 0 387.285 2.884 20 0 GFADRO O=C1CC[C@@H]2C[N@H+](Cn3cc(-c4ccc(Br)cc4)cn3)CC[C@@H]2N1 ZINC000853560989 661892526 /nfs/dbraw/zinc/89/25/26/661892526.db2.gz YRNOSMGINZXYON-PBHICJAKSA-N 1 0 389.297 2.871 20 0 GFADRO Cc1nc(-c2ccc(Br)cc2)nn1C[N@@H+]1C[C@H]2COC[C@]2(C)C1 ZINC000853565753 661892845 /nfs/dbraw/zinc/89/28/45/661892845.db2.gz JQYCLSHSSDDNCA-YOEHRIQHSA-N 1 0 377.286 2.942 20 0 GFADRO COC(=O)c1c2cnn(C[N@@H+]3CC[C@H]4COC[C@H]4C3)c2ccc1Br ZINC000853589254 661893790 /nfs/dbraw/zinc/89/37/90/661893790.db2.gz HZKNJPYAZPSIGF-NWDGAFQWSA-N 1 0 394.269 2.511 20 0 GFADRO C[C@@]1(c2nc(CC3CC[NH2+]CC3)no2)CC1(Br)Br ZINC000854131299 661915760 /nfs/dbraw/zinc/91/57/60/661915760.db2.gz JQVVBOWERDAORP-NSHDSACASA-N 1 0 379.096 2.759 20 0 GFADRO COc1nc(-c2noc(-c3cc4c(s3)CC[NH2+]C4)n2)ncc1Br ZINC000854148571 661916548 /nfs/dbraw/zinc/91/65/48/661916548.db2.gz HEUQNKPWEVNGJX-UHFFFAOYSA-N 1 0 394.254 2.672 20 0 GFADRO CC(C)C[C@H](NC(=O)C[C@@]1(C)CC1(Cl)Cl)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000854633858 661944633 /nfs/dbraw/zinc/94/46/33/661944633.db2.gz YOZFPZWHEZPAJJ-KEYYUXOJSA-N 1 0 392.371 2.654 20 0 GFADRO C[N@@H+]1CCC[C@H]1[C@@H]1COCCN1C(=O)c1cc(Cl)nc(C(F)(F)F)c1 ZINC000854642871 661944952 /nfs/dbraw/zinc/94/49/52/661944952.db2.gz RWUUQBSTIAAIFW-RYUDHWBXSA-N 1 0 377.794 2.689 20 0 GFADRO C[C@H]1CN(C(=O)[C@]2(C)CC2(Br)Br)CC[N@@H+](C2CC2)C1 ZINC000854677783 661947321 /nfs/dbraw/zinc/94/73/21/661947321.db2.gz OTQHGBZRNPCOAC-MFKMUULPSA-N 1 0 394.151 2.825 20 0 GFADRO C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1cn(C(C)(C)C)nc1Br)C2 ZINC000854736189 661952430 /nfs/dbraw/zinc/95/24/30/661952430.db2.gz CCHSYRSOMBKWJB-KRWDZBQOSA-N 1 0 383.334 2.959 20 0 GFADRO CC1=NO[C@@H](C(=O)Nc2cc(Br)ccc2N(C)CC[NH+](C)C)C1 ZINC000854988574 661964694 /nfs/dbraw/zinc/96/46/94/661964694.db2.gz ANOKHFFXJOLVBN-OAHLLOKOSA-N 1 0 383.290 2.550 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)CN2C(=S)N=NC2c2cccs2)C1 ZINC000855159972 661973659 /nfs/dbraw/zinc/97/36/59/661973659.db2.gz KSDOVTNGJBTTFY-GFCCVEGCSA-N 1 0 379.555 2.532 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)c2cn(-c3ccccc3Br)nn2)C1 ZINC000855287050 661983041 /nfs/dbraw/zinc/98/30/41/661983041.db2.gz HGHKZFLYQMBBJR-LBPRGKRZSA-N 1 0 392.301 2.632 20 0 GFADRO O=C(NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1nc(Cl)sc1Cl ZINC000855401779 661990372 /nfs/dbraw/zinc/99/03/72/661990372.db2.gz ACCBZPKCCLCTDS-LBPRGKRZSA-N 1 0 386.304 2.947 20 0 GFADRO O=C(NCC1CC[NH+](Cc2ccncc2)CC1)c1cccnc1Br ZINC000855527220 661996694 /nfs/dbraw/zinc/99/66/94/661996694.db2.gz DQMAAVBVACPKET-UHFFFAOYSA-N 1 0 389.297 2.881 20 0 GFADRO O=C(C1CC[NH+](C2CC2)CC1)N1CCN(c2ccc(Br)cc2)CC1 ZINC000855635372 662002079 /nfs/dbraw/zinc/00/20/79/662002079.db2.gz BTPRVRGQZJHXLY-UHFFFAOYSA-N 1 0 392.341 2.972 20 0 GFADRO C[NH+](C)CCC[C@H]1CN(C(=O)C[C@@H](O)c2cc(Cl)cc(Cl)c2)CCO1 ZINC000856428732 662033471 /nfs/dbraw/zinc/03/34/71/662033471.db2.gz DMGRBSXRPJAGBB-DLBZAZTESA-N 1 0 389.323 2.986 20 0 GFADRO CC[N@H+](C)Cc1cc(O[C@H]2CCN(C(=O)C3SCCCS3)C2)ccn1 ZINC000856626139 662037752 /nfs/dbraw/zinc/03/77/52/662037752.db2.gz RBNFQDXISFCFPF-INIZCTEOSA-N 1 0 381.567 2.709 20 0 GFADRO C[C@H]([NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1)c1ccc(C(F)(F)F)nc1Cl ZINC000856777240 662043570 /nfs/dbraw/zinc/04/35/70/662043570.db2.gz SGBXSQOKLQZRMG-UWVGGRQHSA-N 1 0 385.839 2.686 20 0 GFADRO C[C@H]([NH2+]CCN1C(=O)NC(C)(C)C1=O)c1ccc(C(F)(F)F)nc1Cl ZINC000856780399 662043916 /nfs/dbraw/zinc/04/39/16/662043916.db2.gz HZJMNQAXPLDMJG-QMMMGPOBSA-N 1 0 378.782 2.735 20 0 GFADRO COCCS(=O)(=O)CCC[NH2+][C@@H](C)c1ccc(C(F)(F)F)nc1Cl ZINC000856780161 662043947 /nfs/dbraw/zinc/04/39/47/662043947.db2.gz FIQJAXRGDGHZFR-JTQLQIEISA-N 1 0 388.839 2.856 20 0 GFADRO C[C@@H]1CCC[N@@H+]1CCNC(=O)[C@@H]1CCO[C@H]1c1cncc(Br)c1 ZINC000857182481 662067033 /nfs/dbraw/zinc/06/70/33/662067033.db2.gz XWSGGRHYXALYBW-WQVCFCJDSA-N 1 0 382.302 2.522 20 0 GFADRO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)c1cccnc1I ZINC000857327578 662073517 /nfs/dbraw/zinc/07/35/17/662073517.db2.gz UIWVCGYBSKIGLQ-GFCCVEGCSA-N 1 0 387.265 2.536 20 0 GFADRO C[N@@H+]1CCCC[C@@H]1CCC(=O)N1CC(O)(c2ccc(Br)cc2)C1 ZINC000857338281 662075246 /nfs/dbraw/zinc/07/52/46/662075246.db2.gz ZOYOVQDONJUEQV-MRXNPFEDSA-N 1 0 381.314 2.743 20 0 GFADRO CC[NH+](CC)CCN(C(=O)/C=C(\C)c1cccs1)[C@@H]1CCS(=O)(=O)C1 ZINC000857716171 662088584 /nfs/dbraw/zinc/08/85/84/662088584.db2.gz VFVCPVAAUAZDLZ-QJPKHSJYSA-N 1 0 384.567 2.509 20 0 GFADRO COc1ccc(Br)cc1C[C@@H](CO)C[NH2+][C@@H]1CCCc2cn[nH]c21 ZINC000857869364 662092682 /nfs/dbraw/zinc/09/26/82/662092682.db2.gz NPBPATRZEQONSX-MLGOLLRUSA-N 1 0 394.313 2.999 20 0 GFADRO COc1ccc([C@H](C[NH2+]Cc2cn(C)nc2Br)N(C)C)cc1OC ZINC000858088065 662098061 /nfs/dbraw/zinc/09/80/61/662098061.db2.gz ZSGAPSQIMHTOMR-AWEZNQCLSA-N 1 0 397.317 2.592 20 0 GFADRO O=S(=O)(Cc1ccccc1)NCC[NH2+]Cc1ccsc1C(F)(F)F ZINC000858105682 662098870 /nfs/dbraw/zinc/09/88/70/662098870.db2.gz MFCMNWFSRVUHJW-UHFFFAOYSA-N 1 0 378.441 2.976 20 0 GFADRO COCO[C@@H](C)c1cc(F)c(C[NH2+]C[C@](C)(O)COC)cc1Br ZINC000858134511 662100433 /nfs/dbraw/zinc/10/04/33/662100433.db2.gz SEIIJLKGPUSSMY-ZBEGNZNMSA-N 1 0 394.281 2.757 20 0 GFADRO CNC(=O)C[C@@H](C)[NH2+]Cc1cc(Br)c([C@@H](C)OCOC)cc1F ZINC000858173651 662102901 /nfs/dbraw/zinc/10/29/01/662102901.db2.gz DYFOZMKPMMQGIK-GHMZBOCLSA-N 1 0 391.281 2.884 20 0 GFADRO CON(C)C(=O)[C@@H](C)[NH2+]Cc1ccc(Br)c(Br)c1 ZINC000858324816 662108462 /nfs/dbraw/zinc/10/84/62/662108462.db2.gz HATOWURBYZJAFW-MRVPVSSYSA-N 1 0 380.080 2.710 20 0 GFADRO Cc1nn(Cc2ccccc2Cl)c(Cl)c1C[NH2+]CCN1CC[C@H](O)C1 ZINC000858339251 662109217 /nfs/dbraw/zinc/10/92/17/662109217.db2.gz TWCZLNKGRXSIJA-HNNXBMFYSA-N 1 0 383.323 2.703 20 0 GFADRO C[C@H](C[NH+]1CCCCC1)NC(=O)c1cc(Br)c2ncc(C=O)n2c1 ZINC000858446073 662111516 /nfs/dbraw/zinc/11/15/16/662111516.db2.gz GVZRBIUOXBTRNK-GFCCVEGCSA-N 1 0 393.285 2.514 20 0 GFADRO C[NH+](C)C1(CNC(=O)c2cc(Br)c3ncc(C=O)n3c2)CCCC1 ZINC000858539954 662114345 /nfs/dbraw/zinc/11/43/45/662114345.db2.gz QNMMCJXGNNJUSH-UHFFFAOYSA-N 1 0 393.285 2.514 20 0 GFADRO COc1cccc(C[NH+]2CCC(NC(=O)[C@H]3C[C@@]3(C)Br)CC2)c1 ZINC000858653140 662118218 /nfs/dbraw/zinc/11/82/18/662118218.db2.gz NRCRTXGNNYKJSJ-SJLPKXTDSA-N 1 0 381.314 2.949 20 0 GFADRO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)c1cc(Br)cnc1F ZINC000858672374 662118837 /nfs/dbraw/zinc/11/88/37/662118837.db2.gz JYVNLXZHZBWDPF-AWEZNQCLSA-N 1 0 380.261 2.886 20 0 GFADRO CCCC[N@H+](C)CCNS(=O)(=O)c1ccc(NC(=O)OC)c(Cl)c1 ZINC000858979203 662130285 /nfs/dbraw/zinc/13/02/85/662130285.db2.gz BLYQQQZTSHTHPS-UHFFFAOYSA-N 1 0 377.894 2.529 20 0 GFADRO COC(=O)Nc1ccc(S(=O)(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1Cl ZINC000859014367 662132146 /nfs/dbraw/zinc/13/21/46/662132146.db2.gz IROFHHGRSZRZLC-RYUDHWBXSA-N 1 0 389.905 2.622 20 0 GFADRO O=C1Nc2ccc(Br)cc2CC[C@@H]1[NH+]1CCC2(CC1)OCCO2 ZINC000859078194 662135874 /nfs/dbraw/zinc/13/58/74/662135874.db2.gz ZALAVTOWVZGMJT-HNNXBMFYSA-N 1 0 381.270 2.541 20 0 GFADRO C[C@@H]([NH2+]CCc1cn(C)nn1)c1nc(-c2ccc(Br)cc2)no1 ZINC000859250438 662147623 /nfs/dbraw/zinc/14/76/23/662147623.db2.gz VRTOREKPFCCIRM-SNVBAGLBSA-N 1 0 377.246 2.521 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)Nc2cccc(Br)n2)CC[C@@H]1C(F)(F)F ZINC000859677537 662172028 /nfs/dbraw/zinc/17/20/28/662172028.db2.gz JYEPJGPVBCDZLA-BDAKNGLRSA-N 1 0 381.196 2.835 20 0 GFADRO O=C(COC(=O)Cc1cc(Cl)cc(Cl)c1)NC1CC[NH+](C2CC2)CC1 ZINC000860250686 662193599 /nfs/dbraw/zinc/19/35/99/662193599.db2.gz HKFPQHKYUAPWGB-UHFFFAOYSA-N 1 0 385.291 2.822 20 0 GFADRO C[N@H+](CCCO)C1CCN(C(=O)c2ccc(SC(F)(F)F)nc2)CC1 ZINC000860444953 662201050 /nfs/dbraw/zinc/20/10/50/662201050.db2.gz JNKOAVUFTLKGMZ-UHFFFAOYSA-N 1 0 377.432 2.612 20 0 GFADRO COCC[N@@H+]1CCC[C@H]1COC(=O)c1nn(C(C)(C)C)cc1Br ZINC000861037285 662224924 /nfs/dbraw/zinc/22/49/24/662224924.db2.gz SHEDJLBIBUVLNY-LBPRGKRZSA-N 1 0 388.306 2.668 20 0 GFADRO CO[C@H]1C[N@H+](C)[C@](C)(COC(=O)c2cnc3ncc(Br)cc3c2)C1 ZINC000861347960 662241486 /nfs/dbraw/zinc/24/14/86/662241486.db2.gz MDSWYVDVZJCRIM-PBHICJAKSA-N 1 0 394.269 2.658 20 0 GFADRO COc1cc(C(=O)OC[C@@]2(C)C[C@@H](OC)C[N@@H+]2C)sc1Br ZINC000861351209 662241723 /nfs/dbraw/zinc/24/17/23/662241723.db2.gz SUHGIIJMLDWMDB-YMTOWFKASA-N 1 0 378.288 2.785 20 0 GFADRO COc1ccc(Br)c(CC(=O)OC[C@]2(C)C[C@H](OC)C[N@@H+]2C)c1 ZINC000861349241 662241847 /nfs/dbraw/zinc/24/18/47/662241847.db2.gz IVZAGDHFAXRUNF-YOEHRIQHSA-N 1 0 386.286 2.653 20 0 GFADRO CO[C@H]1C[N@H+](C)[C@](C)(COC(=O)c2c3ccc(Br)cc3nn2C)C1 ZINC000861357722 662242624 /nfs/dbraw/zinc/24/26/24/662242624.db2.gz TUDOQHSJUBNMJR-PXAZEXFGSA-N 1 0 396.285 2.602 20 0 GFADRO C[C@@H]([NH3+])CN(C)C(=O)C(=O)Nc1ccc(Br)c(Cl)c1Cl ZINC000861542192 662249477 /nfs/dbraw/zinc/24/94/77/662249477.db2.gz NETUNTSDBBBLDV-ZCFIWIBFSA-N 1 0 383.073 2.500 20 0 GFADRO CC[N@H+](CCNC(=O)C(=O)Nc1cccc(SC(F)(F)F)c1)C1CC1 ZINC000861751253 662257277 /nfs/dbraw/zinc/25/72/77/662257277.db2.gz QUOCOEJQNBDGSW-UHFFFAOYSA-N 1 0 375.416 2.838 20 0 GFADRO CC[C@@H](C(=O)NC[C@H]1CCC[N@@H+]1CCCO)c1ccc(Br)cc1 ZINC000861856539 662261137 /nfs/dbraw/zinc/26/11/37/662261137.db2.gz JESKQAMMMZLDLI-IAGOWNOFSA-N 1 0 383.330 2.906 20 0 GFADRO CCN(C(=O)C(=O)Nc1cccc(SC(F)(F)F)c1)[C@@H]1CC[N@H+](C)C1 ZINC000861904473 662263196 /nfs/dbraw/zinc/26/31/96/662263196.db2.gz GCPAPRUEELFFJK-GFCCVEGCSA-N 1 0 375.416 2.790 20 0 GFADRO CC[C@@H](C(=O)N1CC[N@H+](C)C[C@H](C(=O)OC)C1)c1ccc(Br)cc1 ZINC000861988433 662265709 /nfs/dbraw/zinc/26/57/09/662265709.db2.gz IUMDEOIDPSJMHB-GOEBONIOSA-N 1 0 397.313 2.506 20 0 GFADRO COCO[C@H](C)c1cc(F)c(CN2C[C@H]3C[NH2+]C[C@H]3C2)cc1Br ZINC000862252082 662278046 /nfs/dbraw/zinc/27/80/46/662278046.db2.gz CPCSMXMWQGKBQQ-BNOWGMLFSA-N 1 0 387.293 2.921 20 0 GFADRO C/C(=C\c1c(Cl)cccc1Cl)C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000862648710 662296874 /nfs/dbraw/zinc/29/68/74/662296874.db2.gz CVOUMSVDKVFMNB-PCUGXKRQSA-N 1 0 384.307 2.853 20 0 GFADRO COC(=O)c1ncn(C[N@@H+]2C[C@H](c3ccc(Br)cc3)C[C@H]2C)n1 ZINC000863323975 662320669 /nfs/dbraw/zinc/32/06/69/662320669.db2.gz WRUHNYJKDLUQLC-DGCLKSJQSA-N 1 0 379.258 2.663 20 0 GFADRO Cc1c(Cl)cnn1C[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(F)(F)F ZINC000863330406 662321149 /nfs/dbraw/zinc/32/11/49/662321149.db2.gz LZMVISNYBHSJRS-FMSGJZPZSA-N 1 0 376.810 2.534 20 0 GFADRO CCC1([NH+]2CCOCC2)CCN(C(=O)c2ccnc(Br)c2)CC1 ZINC000863492211 662334674 /nfs/dbraw/zinc/33/46/74/662334674.db2.gz ODRFRJLNLMXPQQ-UHFFFAOYSA-N 1 0 382.302 2.561 20 0 GFADRO Cc1cc(Br)ccc1CN1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000863549185 662336201 /nfs/dbraw/zinc/33/62/01/662336201.db2.gz BYADFESAKGHZRD-SJORKVTESA-N 1 0 394.313 2.515 20 0 GFADRO C[N@H+](CC(=O)N1CC[C@@H](O)[C@H]1c1ccc(Br)cc1)[C@@H]1CCSC1 ZINC000863580134 662338434 /nfs/dbraw/zinc/33/84/34/662338434.db2.gz HULMVUBZLGEQHS-BFYDXBDKSA-N 1 0 399.354 2.521 20 0 GFADRO CC[NH2+][C@H](C)c1nc(-c2ccc3ncc(I)n3c2)no1 ZINC000863671903 662343522 /nfs/dbraw/zinc/34/35/22/662343522.db2.gz BSGSRRAWEHDUIY-MRVPVSSYSA-N 1 0 383.193 2.659 20 0 GFADRO C[N@@H+]1CCCC[C@@H]1CCC(=O)NN1Cc2ccc(Br)cc2C1=O ZINC000863936363 662350423 /nfs/dbraw/zinc/35/04/23/662350423.db2.gz KXCBASGKOGACNG-CQSZACIVSA-N 1 0 380.286 2.701 20 0 GFADRO [NH3+]CC12CCC(CC1)N2C(=O)N1CCOc2cccc(Br)c2C1 ZINC000864057661 662352905 /nfs/dbraw/zinc/35/29/05/662352905.db2.gz NZXNKXCVZBZXCV-UHFFFAOYSA-N 1 0 380.286 2.719 20 0 GFADRO CC(C)n1ncc(C(=O)N2CCC[N@H+](C[C@@H]3CCCO3)CC2)c1Br ZINC000865040315 662396010 /nfs/dbraw/zinc/39/60/10/662396010.db2.gz MCMLDSPTUUQRBV-AWEZNQCLSA-N 1 0 399.333 2.553 20 0 GFADRO C[NH+](C)CCOc1ccc(NCc2ccc(Cl)c(S(N)(=O)=O)c2)cc1 ZINC000865468298 662423272 /nfs/dbraw/zinc/42/32/72/662423272.db2.gz GFUGCJKQHMGVLK-UHFFFAOYSA-N 1 0 383.901 2.540 20 0 GFADRO O=C1COc2ccccc2N1CCC[NH2+]Cc1cccnc1Br ZINC000865475003 662423640 /nfs/dbraw/zinc/42/36/40/662423640.db2.gz QJXAEBVPHTZQIA-UHFFFAOYSA-N 1 0 376.254 2.749 20 0 GFADRO C[NH+](C)CCn1c2cc(NCc3cccnc3Br)ccc2oc1=O ZINC000865501431 662425306 /nfs/dbraw/zinc/42/53/06/662425306.db2.gz ZWWKZWYYHITCCU-UHFFFAOYSA-N 1 0 391.269 2.926 20 0 GFADRO Cn1ncc2cc(C[NH2+]C[C@H](CO)Cc3ccc(Br)cc3)cnc21 ZINC000865542586 662427828 /nfs/dbraw/zinc/42/78/28/662427828.db2.gz BJCRQKGCVRXGGF-OAHLLOKOSA-N 1 0 389.297 2.672 20 0 GFADRO Cn1nnc2cc(C[NH2+][C@@](C)(CO)Cc3ccc(Br)cc3)ccc21 ZINC000865715614 662438566 /nfs/dbraw/zinc/43/85/66/662438566.db2.gz VQHHLUKVXBYAFR-GOSISDBHSA-N 1 0 389.297 2.814 20 0 GFADRO C[C@@](CO)(Cc1ccc(Br)cc1)[NH2+]Cc1cccc(C(N)=O)c1 ZINC000865715557 662438656 /nfs/dbraw/zinc/43/86/56/662438656.db2.gz BDKUHHQZNQDSMC-SFHVURJKSA-N 1 0 377.282 2.631 20 0 GFADRO CCCC[N@H+](C)CCNC(=O)c1cnn(C(C)C)c1I ZINC000865745484 662440854 /nfs/dbraw/zinc/44/08/54/662440854.db2.gz KGVCOOOUKAOAQK-UHFFFAOYSA-N 1 0 392.285 2.530 20 0 GFADRO O=S(=O)(c1ccccc1)[C@H]1C[C@H]([NH2+]Cc2cncc(Br)c2)C1 ZINC000865766455 662441978 /nfs/dbraw/zinc/44/19/78/662441978.db2.gz CLOXRJACARRDAO-KOMQPUFPSA-N 1 0 381.295 2.939 20 0 GFADRO COc1ccc(C[NH2+]C[C@H]2CC3(CO2)CCOCC3)c(Br)c1O ZINC000865779858 662442971 /nfs/dbraw/zinc/44/29/71/662442971.db2.gz PWDOGAOXZKBBMK-CYBMUJFWSA-N 1 0 386.286 2.839 20 0 GFADRO CN(C)CC[NH+]1CCC(CNC(=O)c2ccc(SC(F)(F)F)o2)CC1 ZINC000865810143 662444872 /nfs/dbraw/zinc/44/48/72/662444872.db2.gz MCPRDVQUQOVCLV-UHFFFAOYSA-N 1 0 379.448 2.895 20 0 GFADRO C[N@@H+]1CCn2nc(NCc3cc(Br)c4c(c3)OCCCO4)cc2C1 ZINC000865844276 662447086 /nfs/dbraw/zinc/44/70/86/662447086.db2.gz HRTWTRSGFYCUPF-UHFFFAOYSA-N 1 0 393.285 2.864 20 0 GFADRO Cc1ccc(NC(=O)Cn2ccc(Br)cc2=O)c(C[NH+](C)C)c1 ZINC000865864243 662447860 /nfs/dbraw/zinc/44/78/60/662447860.db2.gz FIAAXKIEVHZMSF-UHFFFAOYSA-N 1 0 378.270 2.620 20 0 GFADRO CC(C)[C@H]1C[C@@H](C[NH2+]Cc2c(I)cnn2C)CCO1 ZINC000865869164 662448956 /nfs/dbraw/zinc/44/89/56/662448956.db2.gz YRQFAGQMUMADAO-SMDDNHRTSA-N 1 0 377.270 2.566 20 0 GFADRO COc1cc(I)ccc1C(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000866071253 662459531 /nfs/dbraw/zinc/45/95/31/662459531.db2.gz FXJIZURPXVKXPG-PWSUYJOCSA-N 1 0 388.249 2.512 20 0 GFADRO CC(C)[NH+]1CCC(N(C)S(=O)(=O)c2cc3nc(Cl)ncc3s2)CC1 ZINC000866453672 662474312 /nfs/dbraw/zinc/47/43/12/662474312.db2.gz QZFJXYULRNDBMO-UHFFFAOYSA-N 1 0 388.946 2.838 20 0 GFADRO COc1cc([C@H](C)[NH2+][C@@H](C)[C@@H](O)C(F)(F)F)ccc1S(=O)(=O)C(F)F ZINC000866464539 662474792 /nfs/dbraw/zinc/47/47/92/662474792.db2.gz KMHMFAFNWZSRRB-YVZVNANGSA-N 1 0 391.358 2.654 20 0 GFADRO O=C1OC[C@@]2(C[NH2+][C@H]3CCSc4ccc(Br)cc43)COCCN12 ZINC000866519683 662478695 /nfs/dbraw/zinc/47/86/95/662478695.db2.gz UKAHHOWJNBVKLE-XJKSGUPXSA-N 1 0 399.310 2.797 20 0 GFADRO C[C@H]([NH2+]C[C@]12COC(=O)N1CCOC2)c1cc(F)c(Br)cc1F ZINC000866523993 662478998 /nfs/dbraw/zinc/47/89/98/662478998.db2.gz XMRAALQJXADWGP-VFZGTOFNSA-N 1 0 391.212 2.599 20 0 GFADRO C[C@H]([NH2+][C@H]1COc2cccc(Br)c2C1)C1CCS(=O)(=O)CC1 ZINC000866594304 662482774 /nfs/dbraw/zinc/48/27/74/662482774.db2.gz CGEDTQUPCWZZPG-WCQYABFASA-N 1 0 388.327 2.556 20 0 GFADRO C[C@H]([NH2+][C@@H]1COc2cccc(Br)c2C1)C1CCS(=O)(=O)CC1 ZINC000866594203 662482781 /nfs/dbraw/zinc/48/27/81/662482781.db2.gz CGEDTQUPCWZZPG-AAEUAGOBSA-N 1 0 388.327 2.556 20 0 GFADRO COC[C@H]([NH2+][C@@H](C)C1CCS(=O)(=O)CC1)c1cccc(Br)c1 ZINC000866597130 662482975 /nfs/dbraw/zinc/48/29/75/662482975.db2.gz NUJJAYFAKSQOEZ-LRDDRELGSA-N 1 0 390.343 2.940 20 0 GFADRO O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)c1cc(F)c(Br)cc1F ZINC000866607787 662483661 /nfs/dbraw/zinc/48/36/61/662483661.db2.gz VJXCHETWMOJOCK-LLVKDONJSA-N 1 0 389.240 2.710 20 0 GFADRO CS(=O)(=O)c1ccc(-c2nc(CN3CCC[C@H]4[NH2+]CC[C@H]43)cs2)cc1 ZINC000866725882 662492118 /nfs/dbraw/zinc/49/21/18/662492118.db2.gz QZHNVNWEDSBVHP-IAGOWNOFSA-N 1 0 377.535 2.540 20 0 GFADRO COc1cccc(Br)c1CS(=O)(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000866738048 662493085 /nfs/dbraw/zinc/49/30/85/662493085.db2.gz MKJHDXYPZZRNJC-HNNXBMFYSA-N 1 0 399.310 2.577 20 0 GFADRO CC[C@@H]1CN(S(=O)(=O)c2oc3ccccc3c2Br)CC[C@@H]1[NH3+] ZINC000866758842 662495313 /nfs/dbraw/zinc/49/53/13/662495313.db2.gz XZIPNKANPCBUFD-PWSUYJOCSA-N 1 0 387.299 2.943 20 0 GFADRO [NH3+][C@@H]1CCO[C@H](C2CCN(S(=O)(=O)Cc3ccc(F)cc3Cl)CC2)C1 ZINC000866772311 662496619 /nfs/dbraw/zinc/49/66/19/662496619.db2.gz RHIKJCIIKQNTCG-WBVHZDCISA-N 1 0 390.908 2.527 20 0 GFADRO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCCN2S(=O)(=O)Cc2ccc(F)cc2Cl)C1 ZINC000866774769 662496886 /nfs/dbraw/zinc/49/68/86/662496886.db2.gz QMKKEEHHZLTBJJ-HYVNUMGLSA-N 1 0 390.908 2.670 20 0 GFADRO O=S(=O)(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1c(Cl)cccc1Br ZINC000866809885 662500700 /nfs/dbraw/zinc/50/07/00/662500700.db2.gz POEHWFAZVLUGBI-JGPRNRPPSA-N 1 0 393.734 2.911 20 0 GFADRO O=S(=O)(c1cc(Br)sc1Cl)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000866829103 662502623 /nfs/dbraw/zinc/50/26/23/662502623.db2.gz YXALQZNUJKVZFG-YUMQZZPRSA-N 1 0 385.736 2.679 20 0 GFADRO CSc1cc(C(=O)NC2(CCO)CC[NH+](C)CC2)ccc1Br ZINC000867250738 662535511 /nfs/dbraw/zinc/53/55/11/662535511.db2.gz MKPSJGFGJIXIGZ-UHFFFAOYSA-N 1 0 387.343 2.748 20 0 GFADRO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000867292133 662539540 /nfs/dbraw/zinc/53/95/40/662539540.db2.gz MTYKLQTVQLUNOF-BBRMVZONSA-N 1 0 384.307 2.504 20 0 GFADRO CC(C)[NH+]1CCC(CCNC(=O)C(=O)N(C)Cc2ccc(Cl)s2)CC1 ZINC000867297534 662540013 /nfs/dbraw/zinc/54/00/13/662540013.db2.gz DCRVZEWKJAFFIQ-UHFFFAOYSA-N 1 0 385.961 2.987 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)c1cc(Br)ncc1Br ZINC000867526306 662556333 /nfs/dbraw/zinc/55/63/33/662556333.db2.gz AGJQBKRQYDEHBA-GHMZBOCLSA-N 1 0 391.107 2.819 20 0 GFADRO Cc1nc(-c2ccc(S(=O)(=O)N3CC[C@@H]4[C@@H](CC[N@H+]4C)C3)s2)cs1 ZINC000867811345 662578855 /nfs/dbraw/zinc/57/88/55/662578855.db2.gz BKWCQJVTRMINFM-GXTWGEPZSA-N 1 0 383.564 2.895 20 0 GFADRO CC(C)C[C@@](C)(C[NH3+])NC(=O)c1cnn(C(C)C)c1I ZINC000867960095 662589448 /nfs/dbraw/zinc/58/94/48/662589448.db2.gz JBXXDXAOPFVBJZ-AWEZNQCLSA-N 1 0 392.285 2.562 20 0 GFADRO CC(C)n1ncc(C(=O)Nc2ccc(C[NH3+])cc2)c1I ZINC000867969868 662589887 /nfs/dbraw/zinc/58/98/87/662589887.db2.gz VHWMQNNJMZWCHR-UHFFFAOYSA-N 1 0 384.221 2.780 20 0 GFADRO COCCN(Cc1cccnc1)C(=O)[C@H]([NH3+])c1cccc(Br)c1 ZINC000867977510 662590243 /nfs/dbraw/zinc/59/02/43/662590243.db2.gz IVKTZCHDFXYPSL-MRXNPFEDSA-N 1 0 378.270 2.519 20 0 GFADRO CCOc1c(Br)cc(C(=O)N[C@H](C)C2CC[NH2+]CC2)cc1OC ZINC000868001714 662590857 /nfs/dbraw/zinc/59/08/57/662590857.db2.gz KVRBUVDWWNITJK-LLVKDONJSA-N 1 0 385.302 2.974 20 0 GFADRO CC1(C)C[NH2+]CC[C@@H](NC(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)C1 ZINC000868095872 662594545 /nfs/dbraw/zinc/59/45/45/662594545.db2.gz YWRQXOJYXAMNRY-GFCCVEGCSA-N 1 0 375.441 2.583 20 0 GFADRO O=C(Nc1cc(Br)ccc1-n1cccn1)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000868120565 662595084 /nfs/dbraw/zinc/59/50/84/662595084.db2.gz IXZMKKQDWCUDMT-HIFRSBDPSA-N 1 0 390.285 2.993 20 0 GFADRO C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)c1cc(Br)ncc1Br ZINC000868567897 662609875 /nfs/dbraw/zinc/60/98/75/662609875.db2.gz WWWIUKPGPYWHPD-GZMMTYOYSA-N 1 0 391.107 2.771 20 0 GFADRO CC(C)[C@@H]1CN(C(=O)c2cc(Br)ncc2Br)CC[NH2+]1 ZINC000869329643 662641986 /nfs/dbraw/zinc/64/19/86/662641986.db2.gz GVNVTFHGBHHVKU-NSHDSACASA-N 1 0 391.107 2.677 20 0 GFADRO O=C(CNC(=O)C1CC[NH+](C2CC2)CC1)c1ccc(Br)c(F)c1 ZINC000869566766 662652154 /nfs/dbraw/zinc/65/21/54/662652154.db2.gz BWNOPWFBLUXASO-UHFFFAOYSA-N 1 0 383.261 2.762 20 0 GFADRO C[C@@H](Cc1ccc(Br)cc1)C(=O)N[C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC000869779513 662661677 /nfs/dbraw/zinc/66/16/77/662661677.db2.gz WQSPHDIDETWAFR-BBRMVZONSA-N 1 0 383.330 2.589 20 0 GFADRO [NH3+][C@H]1CC[C@H](C(=O)N2CCN(C(=O)c3cccc(Cl)c3Cl)CC2)CC1 ZINC000870867321 662703944 /nfs/dbraw/zinc/70/39/44/662703944.db2.gz DFAJNZJUASZNFY-JOCQHMNTSA-N 1 0 384.307 2.795 20 0 GFADRO O=C(CCC12CC(C1)C[NH2+]2)N1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000870873769 662704204 /nfs/dbraw/zinc/70/42/04/662704204.db2.gz KUGOTWUCCFCCNO-CRPOECCBSA-N 1 0 379.298 2.881 20 0 GFADRO O=C(CCC12CC(C1)C[NH2+]2)N1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000870873770 662704206 /nfs/dbraw/zinc/70/42/06/662704206.db2.gz KUGOTWUCCFCCNO-MNQCNDSGSA-N 1 0 379.298 2.881 20 0 GFADRO O=C(CCC12CC(C1)C[NH2+]2)NCCOc1ncc(C(F)(F)F)cc1Cl ZINC000870893180 662707133 /nfs/dbraw/zinc/70/71/33/662707133.db2.gz RCVDYEDCEVXHSJ-UHFFFAOYSA-N 1 0 377.794 2.781 20 0 GFADRO [NH3+][C@@H](C(=O)Nc1cc(CSCCO)ccn1)c1cccc(Br)c1 ZINC000870909309 662707634 /nfs/dbraw/zinc/70/76/34/662707634.db2.gz CRQZWTTVHKFUPA-OAHLLOKOSA-N 1 0 396.310 2.708 20 0 GFADRO [NH3+][C@H](C(=O)N1CC[C@H](OCc2ccccn2)C1)c1cccc(Br)c1 ZINC000870905866 662707657 /nfs/dbraw/zinc/70/76/57/662707657.db2.gz FSFBCUAADUMKNU-IRXDYDNUSA-N 1 0 390.281 2.662 20 0 GFADRO Cc1nn(C)c(Br)c1C(=O)N[C@@H]1CC[N@H+](Cc2cccc(C)c2)C1 ZINC000870909812 662707698 /nfs/dbraw/zinc/70/76/98/662707698.db2.gz JNPYDJAYGKSOAI-OAHLLOKOSA-N 1 0 391.313 2.804 20 0 GFADRO O=C(Cc1coc2c1ccc(Cl)c2Cl)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000870914751 662708106 /nfs/dbraw/zinc/70/81/06/662708106.db2.gz SLBRRTWHRQZHQF-CYBMUJFWSA-N 1 0 382.291 2.788 20 0 GFADRO Cc1cc(C2CCN(C(=O)[C@@H]([NH3+])c3cccc(Br)c3)CC2)[nH]n1 ZINC000870930042 662708785 /nfs/dbraw/zinc/70/87/85/662708785.db2.gz NQRROCMSPFVVQZ-INIZCTEOSA-N 1 0 377.286 2.887 20 0 GFADRO C[C@H]1CN(C(=O)c2c(F)ccc(I)c2Cl)CC[C@H]1[NH3+] ZINC000870936437 662709120 /nfs/dbraw/zinc/70/91/20/662709120.db2.gz JIFOTVKXNPECLP-OIBJUYFYSA-N 1 0 396.631 2.893 20 0 GFADRO C[C@@](CO)(Cc1ccc(Br)cc1)NC(=O)C1CC[NH+](C2CC2)CC1 ZINC000870946271 662710596 /nfs/dbraw/zinc/71/05/96/662710596.db2.gz FUZUHUGIQRZNOO-IBGZPJMESA-N 1 0 395.341 2.733 20 0 GFADRO COc1cc(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)cc(OC)c1Br ZINC000870976429 662712184 /nfs/dbraw/zinc/71/21/84/662712184.db2.gz DJDSWJRILHVSGU-LMKPVCQUSA-N 1 0 383.286 2.727 20 0 GFADRO CC(=O)N[C@H](c1nc(C2([NH3+])CCCC2)no1)c1cccc(Br)c1 ZINC000871787097 662733741 /nfs/dbraw/zinc/73/37/41/662733741.db2.gz QNOXJOWEUUMDGW-ZDUSSCGKSA-N 1 0 379.258 2.786 20 0 GFADRO Cc1cc(S(=O)(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)ccc1C(F)(F)F ZINC000871813634 662735323 /nfs/dbraw/zinc/73/53/23/662735323.db2.gz JRIFIMNEBWKDEV-BXKDBHETSA-N 1 0 390.349 2.772 20 0 GFADRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2ccc(Cl)c(F)c2Cl)C[C@H]1C(F)(F)F ZINC000871814085 662735485 /nfs/dbraw/zinc/73/54/85/662735485.db2.gz PCRFFVYGZOIAAD-RNFRBKRXSA-N 1 0 395.205 2.890 20 0 GFADRO [NH3+]C[C@H]1CCN(S(=O)(=O)c2cc3nc(Cl)ncc3s2)c2ccccc21 ZINC000871819302 662735935 /nfs/dbraw/zinc/73/59/35/662735935.db2.gz MUIAFVHKHHFAOR-SNVBAGLBSA-N 1 0 394.909 2.986 20 0 GFADRO C[C@H]([NH2+][C@@H](C)c1ccnn1C)C(=O)Nc1ccc(I)cc1 ZINC000871927178 662742859 /nfs/dbraw/zinc/74/28/59/662742859.db2.gz MRMFPKGWUYMHIS-QWRGUYRKSA-N 1 0 398.248 2.703 20 0 GFADRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc(I)c1)c1ccnn1C ZINC000871927756 662742889 /nfs/dbraw/zinc/74/28/89/662742889.db2.gz QBMCUEBAINPHDR-MNOVXSKESA-N 1 0 398.248 2.703 20 0 GFADRO Cn1cc([C@H](O)C[NH2+][C@@H](c2cccc(Br)c2)[C@H]2CCOC2)cn1 ZINC000872039450 662754449 /nfs/dbraw/zinc/75/44/49/662754449.db2.gz SZEMTERFLIUDTG-XKQJLSEDSA-N 1 0 380.286 2.583 20 0 GFADRO C[C@H]([NH2+]CC1CCN(S(=O)(=O)C(F)(F)F)CC1)c1cccc(O)c1F ZINC000872035993 662754498 /nfs/dbraw/zinc/75/44/98/662754498.db2.gz ORSABMWECTXQTL-JTQLQIEISA-N 1 0 384.395 2.744 20 0 GFADRO Cn1ncc(I)c1C[NH2+][C@@H]1CCOC2(CCCC2)C1 ZINC000872096129 662755888 /nfs/dbraw/zinc/75/58/88/662755888.db2.gz XVIYNTWGCQVVNR-LLVKDONJSA-N 1 0 375.254 2.606 20 0 GFADRO Cn1ncc(I)c1C[NH2+][C@@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000872092489 662755896 /nfs/dbraw/zinc/75/58/96/662755896.db2.gz CGXFBYPYNXYDKX-ZWNOBZJWSA-N 1 0 377.270 2.708 20 0 GFADRO O=S1(=O)CC[C@@H]([NH2+]C[C@@H](O)Cc2cccc(Cl)c2)c2cc(F)ccc21 ZINC000872128995 662756221 /nfs/dbraw/zinc/75/62/21/662756221.db2.gz QCJZSYNSZUAODO-DOTOQJQBSA-N 1 0 383.872 2.891 20 0 GFADRO O[C@@H](C[NH2+]C[C@@H]1CC2(CO1)CCOCC2)COc1c(Cl)cccc1Cl ZINC000872232217 662758560 /nfs/dbraw/zinc/75/85/60/662758560.db2.gz XKHXRDFYIYBAKP-KBPBESRZSA-N 1 0 390.307 2.908 20 0 GFADRO Cn1ncc(I)c1C[NH2+]C[C@H](O)c1ccc(Cl)cc1 ZINC000872243049 662758990 /nfs/dbraw/zinc/75/89/90/662758990.db2.gz QGKVUGWZXLIRCQ-ZDUSSCGKSA-N 1 0 391.640 2.501 20 0 GFADRO CCOC1CC2(C[C@@H]2[NH2+]C[C@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000872252166 662759301 /nfs/dbraw/zinc/75/93/01/662759301.db2.gz XGFYLYACSCQQES-PXZKZTPFSA-N 1 0 388.277 2.875 20 0 GFADRO Cn1cc(Br)c(CNC(=O)N2CCC(C)([NH+]3CCCCC3)CC2)n1 ZINC000873031255 662797123 /nfs/dbraw/zinc/79/71/23/662797123.db2.gz QORHUPAWKHNLPN-UHFFFAOYSA-N 1 0 398.349 2.733 20 0 GFADRO Cc1sc(C[NH2+]C[C@H]2CCC[C@@]23NC(=O)N(C)C3=O)cc1Br ZINC000873068902 662798481 /nfs/dbraw/zinc/79/84/81/662798481.db2.gz CLBRPUVHASCRAF-MEBBXXQBSA-N 1 0 386.315 2.629 20 0 GFADRO COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)N(C)CCCCCC[NH3+] ZINC000873111329 662800179 /nfs/dbraw/zinc/80/01/79/662800179.db2.gz LFHXUKNYUCCUDF-UHFFFAOYSA-N 1 0 376.284 2.918 20 0 GFADRO CO[C@@H](C[NH2+]Cc1cccc(F)c1I)[C@@H]1CCOC1 ZINC000873133504 662801155 /nfs/dbraw/zinc/80/11/55/662801155.db2.gz DTLPPQBLVSPMCZ-YPMHNXCESA-N 1 0 379.213 2.571 20 0 GFADRO COc1cc(Br)c(CN2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)cc1O ZINC000873227812 662804305 /nfs/dbraw/zinc/80/43/05/662804305.db2.gz MDEPAKPULBANHS-VHSXEESVSA-N 1 0 383.208 2.732 20 0 GFADRO COc1cc(NC(=O)N2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c(OC)cc1Cl ZINC000873300388 662804967 /nfs/dbraw/zinc/80/49/67/662804967.db2.gz VDYORCPLVAINRD-IUCAKERBSA-N 1 0 381.782 2.958 20 0 GFADRO O=C(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)Nc1ccc(F)c(Br)c1 ZINC000873311329 662805156 /nfs/dbraw/zinc/80/51/56/662805156.db2.gz QTMAXWPMBNGUIQ-LBPRGKRZSA-N 1 0 386.265 2.868 20 0 GFADRO Cc1ccc(NC(=O)N2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c(Br)n1 ZINC000873312684 662805245 /nfs/dbraw/zinc/80/52/45/662805245.db2.gz DHAGQTFJMVHJDZ-IUCAKERBSA-N 1 0 381.196 2.753 20 0 GFADRO Cc1nc(Br)ccc1NC(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000873315813 662805329 /nfs/dbraw/zinc/80/53/29/662805329.db2.gz WOSVOTSGSRZASP-DTWKUNHWSA-N 1 0 381.196 2.753 20 0 GFADRO Cc1cnc(Br)c(NC(=O)N2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)c1 ZINC000873328692 662805565 /nfs/dbraw/zinc/80/55/65/662805565.db2.gz YWFOEVNHLDDSOF-DTWKUNHWSA-N 1 0 381.196 2.753 20 0 GFADRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)Nc1cc(Cl)cc(Cl)c1F ZINC000873831524 662815612 /nfs/dbraw/zinc/81/56/12/662815612.db2.gz VUMLKNCVMONSMU-ZANVPECISA-N 1 0 376.259 2.870 20 0 GFADRO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)c1ccn(-c2ccc(Br)cc2)n1 ZINC000874827134 662837667 /nfs/dbraw/zinc/83/76/67/662837667.db2.gz BXXJBEUODGUTCA-DLBZAZTESA-N 1 0 389.297 2.944 20 0 GFADRO O=C(NCCc1ccc(I)s1)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000876646876 662864101 /nfs/dbraw/zinc/86/41/01/662864101.db2.gz YVQWXEIBUBNKSE-RISCZKNCSA-N 1 0 390.290 2.544 20 0 GFADRO COCCN(CC1CC[NH+](C)CC1)C(=O)NCC[C@]1(C)CC1(Cl)Cl ZINC000875643497 662849549 /nfs/dbraw/zinc/84/95/49/662849549.db2.gz WXPDGTYXDPOVAF-MRXNPFEDSA-N 1 0 380.360 2.960 20 0 GFADRO C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000876615683 662863553 /nfs/dbraw/zinc/86/35/53/662863553.db2.gz KUWJFYOPESMYAO-QRALVUDJSA-N 1 0 379.298 2.761 20 0 GFADRO C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCO[C@H](c2ccccc2Br)C1 ZINC000876627976 662863780 /nfs/dbraw/zinc/86/37/80/662863780.db2.gz MDSPRTBVMDWPRI-WWIRUOQTSA-N 1 0 379.298 2.761 20 0 GFADRO [NH3+]C[C@@H]1[C@H](C(=O)N2CCO[C@H](c3cc(F)c(Cl)cc3Cl)C2)C1(F)F ZINC000876649328 662864249 /nfs/dbraw/zinc/86/42/49/662864249.db2.gz SNKMWESCIKHOIT-OXHMUOHRSA-N 1 0 383.197 2.872 20 0 GFADRO [NH3+]C[C@@H]1[C@H](C(=O)N2CCO[C@@H](c3cc(F)c(Cl)cc3Cl)C2)C1(F)F ZINC000876649327 662864275 /nfs/dbraw/zinc/86/42/75/662864275.db2.gz SNKMWESCIKHOIT-BZHVJNSISA-N 1 0 383.197 2.872 20 0 GFADRO Nc1c(Cl)cc(NC(=O)c2nnn([C@H]3CC[NH2+]C3)c2C(F)F)cc1Cl ZINC000876706552 662865111 /nfs/dbraw/zinc/86/51/11/662865111.db2.gz XCHNLSIILGQRFP-ZETCQYMHSA-N 1 0 391.209 2.891 20 0 GFADRO [NH3+][C@H]1CC[C@@H](C(=O)Nc2cc(Br)ccc2N2CCOCC2)CC1 ZINC000876712250 662865236 /nfs/dbraw/zinc/86/52/36/662865236.db2.gz CVTNBVMODFNQPP-XBXGTLAGSA-N 1 0 382.302 2.742 20 0 GFADRO Cc1ccc(Br)c(F)c1C[N@@H+](C)C1CCN(S(C)(=O)=O)CC1 ZINC000876809808 662866783 /nfs/dbraw/zinc/86/67/83/662866783.db2.gz XSBLPSIRJUTREG-UHFFFAOYSA-N 1 0 393.322 2.752 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)c2cc(Br)cnc2F)C[C@H]1c1ccccc1 ZINC000876839456 662867184 /nfs/dbraw/zinc/86/71/84/662867184.db2.gz WPUWUNHOEVTNGN-DOMZBBRYSA-N 1 0 378.245 2.798 20 0 GFADRO CCN1CC[C@@H](NC(=O)[C@@H]2[C@H](C[NH3+])C2(F)F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000876892049 662867817 /nfs/dbraw/zinc/86/78/17/662867817.db2.gz GFHQAVLRJMUDBR-PUPMMZHASA-N 1 0 375.822 2.571 20 0 GFADRO CCO[P@](C)(=O)CC[C@H](C)[NH2+]Cc1ccccc1S(=O)(=O)N(C)C ZINC000876921339 662868155 /nfs/dbraw/zinc/86/81/55/662868155.db2.gz CLAUOCAHRWXQDE-PSLXWICFSA-N 1 0 376.459 2.750 20 0 GFADRO C[C@]12CCN(C(=O)[C@H]3CC[C@@H]([NH3+])CC3)C[C@H]1C2(Br)Br ZINC000876959255 662868581 /nfs/dbraw/zinc/86/85/81/662868581.db2.gz QXKFZTVOBAYXQN-XZUYRWCXSA-N 1 0 394.151 2.858 20 0 GFADRO Cc1cc([C@@H]([NH3+])CC(=O)NC[C@H](n2cccn2)C(F)(F)F)cc(Cl)n1 ZINC000876991103 662869365 /nfs/dbraw/zinc/86/93/65/662869365.db2.gz HFVMGHPOVLLALW-RYUDHWBXSA-N 1 0 375.782 2.550 20 0 GFADRO CC[C@H](Nc1cccnc1Cl)C(=O)N1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000877018323 662869650 /nfs/dbraw/zinc/86/96/50/662869650.db2.gz MMFSGUBEZGLPHX-SRVKXCTJSA-N 1 0 378.826 2.911 20 0 GFADRO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000877049270 662870230 /nfs/dbraw/zinc/87/02/30/662870230.db2.gz BJHANVLQMGMPAX-JOYOIKCWSA-N 1 0 379.254 2.734 20 0 GFADRO C[C@H](C[NH2+]CC1CCS(=O)(=O)CC1)Oc1cccc(Br)c1 ZINC000877069488 662870646 /nfs/dbraw/zinc/87/06/46/662870646.db2.gz BHRONLJAKNGFSB-GFCCVEGCSA-N 1 0 376.316 2.631 20 0 GFADRO Cc1c(Br)cccc1CC(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000877117027 662871327 /nfs/dbraw/zinc/87/13/27/662871327.db2.gz ZKBMDUMHBJFXHG-KRWDZBQOSA-N 1 0 395.341 2.917 20 0 GFADRO [NH3+]CC12CCC(CC1)N2C(=O)c1cc(-c2ccc(Br)cc2)n[nH]1 ZINC000877192753 662872156 /nfs/dbraw/zinc/87/21/56/662872156.db2.gz UTHZHTCHTUGFMH-UHFFFAOYSA-N 1 0 375.270 2.935 20 0 GFADRO C[S@@](=O)C1(C(=O)N2CCC(Cc3ccccc3Cl)CC2)CC[NH2+]CC1 ZINC000877249381 662872530 /nfs/dbraw/zinc/87/25/30/662872530.db2.gz FOLXGUCNDJCKFV-RUZDIDTESA-N 1 0 382.957 2.622 20 0 GFADRO O=C(c1cc(F)c(F)cc1I)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000877281113 662873054 /nfs/dbraw/zinc/87/30/54/662873054.db2.gz YYGYJODNZBAAKV-QWHCGFSZSA-N 1 0 392.187 2.536 20 0 GFADRO Cc1cc(C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)c(C)cc1Br ZINC000877327985 662873626 /nfs/dbraw/zinc/87/36/26/662873626.db2.gz AQGNKEDWWWKKOW-CQSZACIVSA-N 1 0 381.314 2.954 20 0 GFADRO O=C(NC[C@H]1Cc2ccccc2C[NH2+]1)c1sc2c(c1Br)CNC2 ZINC000877341455 662874003 /nfs/dbraw/zinc/87/40/03/662874003.db2.gz XQKXTSKQXKWLKR-GFCCVEGCSA-N 1 0 392.322 2.558 20 0 GFADRO COc1cc(C(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)sc1Br ZINC000877359039 662874439 /nfs/dbraw/zinc/87/44/39/662874439.db2.gz FXTYKMNVHCNNMA-RQJHMYQMSA-N 1 0 387.221 2.728 20 0 GFADRO COc1ccc(C(=O)N2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c(Br)c1 ZINC000877367202 662874841 /nfs/dbraw/zinc/87/48/41/662874841.db2.gz ZEYYDWQQBBOFEL-KWQFWETISA-N 1 0 381.192 2.667 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)Cc2ccc(F)c(Br)c2)C[C@H]1C(F)(F)F ZINC000877369755 662874941 /nfs/dbraw/zinc/87/49/41/662874941.db2.gz XRFSNEWEGCERRA-NXEZZACHSA-N 1 0 383.183 2.726 20 0 GFADRO O=C(N[C@]12CCC[C@H]1[NH2+]CC2)c1cnn(-c2cccc(Br)c2)c1 ZINC000877391962 662875402 /nfs/dbraw/zinc/87/54/02/662875402.db2.gz KNGJHFIBLBYMPV-WBVHZDCISA-N 1 0 375.270 2.649 20 0 GFADRO O=C(N[C@@]12CCC[C@@H]1[NH2+]CC2)c1cnn(-c2ccc(Br)cc2)c1 ZINC000877395656 662875494 /nfs/dbraw/zinc/87/54/94/662875494.db2.gz LSBGUMQMDJEVEK-DOTOQJQBSA-N 1 0 375.270 2.649 20 0 GFADRO Nc1c(Cl)cccc1C[NH2+]Cc1ccc(N2CCCS2(=O)=O)c(F)c1 ZINC000877416876 662875762 /nfs/dbraw/zinc/87/57/62/662875762.db2.gz NIQNKVZHULISHY-UHFFFAOYSA-N 1 0 383.876 2.891 20 0 GFADRO C[C@](O)(CC[NH2+]Cc1cnn2cc(Br)cnc12)c1ccccc1 ZINC000877441944 662876046 /nfs/dbraw/zinc/87/60/46/662876046.db2.gz UTBCXWNRYFNGSA-KRWDZBQOSA-N 1 0 375.270 2.879 20 0 GFADRO COCCO[C@H]1C[C@@H](CO)C[N@H+](Cc2ccc(C)c(Br)c2C)C1 ZINC000877481679 662876940 /nfs/dbraw/zinc/87/69/40/662876940.db2.gz PHUWWHUKJXCJGE-WBVHZDCISA-N 1 0 386.330 2.912 20 0 GFADRO C[C@@H]([NH2+]Cc1cnn2cc(Br)cnc12)[C@](C)(O)c1ccccc1 ZINC000877611228 662879832 /nfs/dbraw/zinc/87/98/32/662879832.db2.gz YCQZFBYAZMHBBD-PXAZEXFGSA-N 1 0 375.270 2.878 20 0 GFADRO CCON(C)C(=O)C[NH2+][C@H]1CCN(C)[C@@H](c2ccc(Br)cc2)C1 ZINC000877612126 662879836 /nfs/dbraw/zinc/87/98/36/662879836.db2.gz KJRSBMHYOXBITM-JKSUJKDBSA-N 1 0 384.318 2.584 20 0 GFADRO OC[C@H]1CN(Cc2csc(-c3cccc(Br)c3)n2)C[C@H]1CO ZINC000877764335 662883173 /nfs/dbraw/zinc/88/31/73/662883173.db2.gz APWKOCLVSFPJLB-BETUJISGSA-N 1 0 383.311 2.605 20 0 GFADRO OC[C@H]1CN(Cc2c(F)ccc(C(F)(F)F)c2Br)C[C@H]1CO ZINC000877764214 662883188 /nfs/dbraw/zinc/88/31/88/662883188.db2.gz XGGBROYRTAUOBI-DTORHVGOSA-N 1 0 386.183 2.640 20 0 GFADRO O=C1NCCC12CC[NH+](Cc1ccc(F)cc1I)CC2 ZINC000877782465 662883525 /nfs/dbraw/zinc/88/35/25/662883525.db2.gz ZXQOWQQGNIDWMA-UHFFFAOYSA-N 1 0 388.224 2.532 20 0 GFADRO CC[N@H+](C[C@H](O)c1cc(Br)no1)C[C@@H]1COc2ccccc2O1 ZINC000877905667 662885598 /nfs/dbraw/zinc/88/55/98/662885598.db2.gz ANAOKRIPALFSTD-NEPJUHHUSA-N 1 0 383.242 2.632 20 0 GFADRO C[N@H+](CCc1ccc(Br)cc1)Cc1nc2c(c(=O)[nH]1)COCC2 ZINC000878083305 662889438 /nfs/dbraw/zinc/88/94/38/662889438.db2.gz SSMMFWHSNCSXEY-UHFFFAOYSA-N 1 0 378.270 2.692 20 0 GFADRO CC(C)[C@H](CO)[N@@H+](Cc1ccccc1)C[C@@H](O)c1cc(Br)no1 ZINC000878169400 662891012 /nfs/dbraw/zinc/89/10/12/662891012.db2.gz MCLVMUVPLQNIDP-LSDHHAIUSA-N 1 0 383.286 2.990 20 0 GFADRO OCC[N@H+](C[C@@H](O)c1cc(Br)no1)[C@@H]1CCCc2ccccc21 ZINC000878245663 662892399 /nfs/dbraw/zinc/89/23/99/662892399.db2.gz GYHAETNFKASMNF-HUUCEWRRSA-N 1 0 381.270 2.842 20 0 GFADRO CC(C)(Cc1ccc(Br)cc1)[NH2+]C[C@@H](O)CC1(O)CCOCC1 ZINC000878245108 662892405 /nfs/dbraw/zinc/89/24/05/662892405.db2.gz WOKUYFTZGCGBOH-INIZCTEOSA-N 1 0 386.330 2.652 20 0 GFADRO C[N@H+](CCc1ccc(C(N)=O)cc1)[C@H](CO)c1cccc(Br)c1 ZINC000878328598 662893945 /nfs/dbraw/zinc/89/39/45/662893945.db2.gz JQOVCSBROAYVAN-QGZVFWFLSA-N 1 0 377.282 2.756 20 0 GFADRO CN1C(=O)C[C@H]([NH2+]CCCS(=O)(=O)C(C)(C)C)[C@H]1c1ccc(Cl)cc1 ZINC000878509869 662897747 /nfs/dbraw/zinc/89/77/47/662897747.db2.gz XHMCILZZDYNVDX-DOTOQJQBSA-N 1 0 386.945 2.805 20 0 GFADRO C[C@@H]([NH2+]C[C@@H](O)c1cc(Br)no1)c1ccc(Br)cn1 ZINC000878538209 662898446 /nfs/dbraw/zinc/89/84/46/662898446.db2.gz VLMSBSBKCBWSOW-GMSGAONNSA-N 1 0 391.063 2.979 20 0 GFADRO C[C@](CO)([NH2+]C[C@H]1CC2(CO1)CCOCC2)c1ccc(Br)cc1 ZINC000878602818 662899965 /nfs/dbraw/zinc/89/99/65/662899965.db2.gz HSMPKRKQQLRZCL-IAGOWNOFSA-N 1 0 384.314 2.832 20 0 GFADRO C[C@@H]1CN(C[C@@H](O)c2cc(Br)no2)CC[N@@H+]1Cc1ccccc1 ZINC000878711182 662903425 /nfs/dbraw/zinc/90/34/25/662903425.db2.gz JJUMZHHSIGUUHC-UKRRQHHQSA-N 1 0 380.286 2.677 20 0 GFADRO Cc1nc(C[NH2+][C@@H](C2CC2)C2(CO)CCOCC2)sc1Br ZINC000878878928 662908263 /nfs/dbraw/zinc/90/82/63/662908263.db2.gz IOGWTPWHCMBEKJ-ZDUSSCGKSA-N 1 0 375.332 2.871 20 0 GFADRO COCCN(CC1CC[NH+](C)CC1)C(=O)Nc1ccc(Br)nc1 ZINC000878959334 662911271 /nfs/dbraw/zinc/91/12/71/662911271.db2.gz LQZXKYSROVDCSN-UHFFFAOYSA-N 1 0 385.306 2.666 20 0 GFADRO COCCN(CC1CC[NH+](C)CC1)C(=O)Nc1ccc(C)nc1Br ZINC000878977664 662912088 /nfs/dbraw/zinc/91/20/88/662912088.db2.gz DEMMPYDYRSGKEC-UHFFFAOYSA-N 1 0 399.333 2.975 20 0 GFADRO C[C@H](CCNC(=O)Cc1c(Br)cnn1C)[N@H+](C)Cc1ccccc1 ZINC000879056995 662914886 /nfs/dbraw/zinc/91/48/86/662914886.db2.gz YCFRFFJRTHRJFK-CQSZACIVSA-N 1 0 393.329 2.752 20 0 GFADRO C[C@@H](CCNC(=O)Cc1c(Br)cnn1C)[N@H+](C)Cc1ccccc1 ZINC000879056994 662914984 /nfs/dbraw/zinc/91/49/84/662914984.db2.gz YCFRFFJRTHRJFK-AWEZNQCLSA-N 1 0 393.329 2.752 20 0 GFADRO OCC1(C[C@@H](O)C[N@@H+]2CC[C@@H](O)[C@H]2c2ccc(Br)cc2)CCCC1 ZINC000879064059 662915329 /nfs/dbraw/zinc/91/53/29/662915329.db2.gz YCPPSSWNXQVIPD-KZNAEPCWSA-N 1 0 398.341 2.861 20 0 GFADRO C[N@H+](C[C@H](O)COc1cc(Cl)cc(Cl)c1)C[C@H](O)c1ccc(F)cn1 ZINC000879115494 662917854 /nfs/dbraw/zinc/91/78/54/662917854.db2.gz KAKKERZMFAIDOJ-YOEHRIQHSA-N 1 0 389.254 2.933 20 0 GFADRO C[C@H]1C[C@@H](NC(=O)Cc2c(Br)cnn2C)C[N@@H+]1Cc1ccccc1 ZINC000879141723 662918283 /nfs/dbraw/zinc/91/82/83/662918283.db2.gz ACONVXLGAQSQNA-DZGCQCFKSA-N 1 0 391.313 2.504 20 0 GFADRO Cc1nc(NC(=O)N(C)CC[NH+]2CC3(C2)CCOCC3)ccc1Br ZINC000879203341 662920537 /nfs/dbraw/zinc/92/05/37/662920537.db2.gz BWTULIWNDYMHDS-UHFFFAOYSA-N 1 0 397.317 2.729 20 0 GFADRO COC(=O)c1cccc(NC(=O)N2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)c1Br ZINC000879374088 662924531 /nfs/dbraw/zinc/92/45/31/662924531.db2.gz BEAGAPTWGZSQKD-FZMZJTMJSA-N 1 0 396.285 2.794 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(CC(=O)Nc3c(F)cc(F)cc3Br)CC[C@H]21 ZINC000879575827 662929789 /nfs/dbraw/zinc/92/97/89/662929789.db2.gz PWGUHCBNMRJVEX-QMTHXVAHSA-N 1 0 388.256 2.692 20 0 GFADRO COC[C@@H]([NH2+]C[C@H]1CCCS(=O)(=O)C1)c1cccc(Br)c1 ZINC000879663121 662935221 /nfs/dbraw/zinc/93/52/21/662935221.db2.gz BYDZAMZWSUVEAI-IUODEOHRSA-N 1 0 376.316 2.551 20 0 GFADRO Cc1csc([C@H]2CC[N@H+](C[C@](C)(O)c3ccc(S(C)(=O)=O)cc3)C2)n1 ZINC000880010276 662945157 /nfs/dbraw/zinc/94/51/57/662945157.db2.gz WEWXORQYFHLURB-KSSFIOAISA-N 1 0 380.535 2.552 20 0 GFADRO CC[N@H+](CCNC(=O)Nc1cn(C)nc1Br)CCC(F)(F)F ZINC000880058361 662948609 /nfs/dbraw/zinc/94/86/09/662948609.db2.gz WXHKCEVPVPVYJJ-UHFFFAOYSA-N 1 0 386.216 2.578 20 0 GFADRO Cn1cc(NC(=O)N2CC3(C2)C[NH+](Cc2ccccc2)C3)c(Br)n1 ZINC000880066421 662950000 /nfs/dbraw/zinc/95/00/00/662950000.db2.gz ROHJIIWOMLCARX-UHFFFAOYSA-N 1 0 390.285 2.532 20 0 GFADRO COc1ncc(Br)cc1CN1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000880201623 662954316 /nfs/dbraw/zinc/95/43/16/662954316.db2.gz PWHWCCQNMYJNBU-INIZCTEOSA-N 1 0 384.318 2.586 20 0 GFADRO O[C@@H](CN1CCC[C@H]([NH2+]C2CCOCC2)C1)c1cccc(Br)c1 ZINC000880210543 662954791 /nfs/dbraw/zinc/95/47/91/662954791.db2.gz SSEZRPVEGWTCOT-ROUUACIJSA-N 1 0 383.330 2.716 20 0 GFADRO CO[C@@H]1COCC[C@H]1[N@H+](C)CC(=O)N(C)Cc1ccc(Cl)c(Cl)c1 ZINC000880426916 662959819 /nfs/dbraw/zinc/95/98/19/662959819.db2.gz YSPMAJAWWMMISQ-HZPDHXFCSA-N 1 0 375.296 2.688 20 0 GFADRO O=C(Nc1c2c(ccc1Br)OCC2)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000880803548 662972255 /nfs/dbraw/zinc/97/22/55/662972255.db2.gz URUDYLQENYCWAE-LBPRGKRZSA-N 1 0 378.270 2.862 20 0 GFADRO C[N@@H+]1CC[C@@](O)(CNC(=O)Nc2cc(Br)ccc2C(C)(C)C)C1 ZINC000881255542 662986332 /nfs/dbraw/zinc/98/63/32/662986332.db2.gz NLSSTHKIQICOKD-QGZVFWFLSA-N 1 0 384.318 2.935 20 0 GFADRO C[C@H]1CN(C(=O)c2c(F)cncc2Br)CCN1c1cc[nH+]cc1 ZINC000881630257 662998393 /nfs/dbraw/zinc/99/83/93/662998393.db2.gz OPIBPQCPKPPHMY-NSHDSACASA-N 1 0 379.233 2.729 20 0 GFADRO Cc1ccc(Br)nc1C(=O)N1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000881632436 662998447 /nfs/dbraw/zinc/99/84/47/662998447.db2.gz NNLVQKQYAHQJCS-CYBMUJFWSA-N 1 0 375.270 2.898 20 0 GFADRO CC[NH+]1CCC(N(C)S(=O)(=O)c2cnc(Cl)cc2C(F)(F)F)CC1 ZINC000881774699 663002694 /nfs/dbraw/zinc/00/26/94/663002694.db2.gz TUAXRWHKVFSVFM-UHFFFAOYSA-N 1 0 385.839 2.859 20 0 GFADRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(c2ccc3nnc(Br)n3n2)C1 ZINC000881821850 663004652 /nfs/dbraw/zinc/00/46/52/663004652.db2.gz OZESJNAYIJCDIY-UPJWGTAASA-N 1 0 379.306 2.728 20 0 GFADRO CC1([NH+]2CCC2)CCN(S(=O)(=O)c2cc(F)ccc2Br)CC1 ZINC000882768423 663041046 /nfs/dbraw/zinc/04/10/46/663041046.db2.gz DIEUWIYBHJGPFE-UHFFFAOYSA-N 1 0 391.306 2.837 20 0 GFADRO NC(=O)C1([NH+]2CCCCC2)CCN(c2nc(Cl)nc3sccc32)CC1 ZINC000882813834 663042973 /nfs/dbraw/zinc/04/29/73/663042973.db2.gz WIUIWGBEVBSLAI-UHFFFAOYSA-N 1 0 379.917 2.655 20 0 GFADRO CCC1([NH+]2CCCCC2)CCN(c2cnn(C)c(=O)c2Br)CC1 ZINC000882816953 663043100 /nfs/dbraw/zinc/04/31/00/663043100.db2.gz ITMHXPSOESSISC-UHFFFAOYSA-N 1 0 383.334 2.778 20 0 GFADRO Cn1nc2c(c1C[NH2+]C[C@@H](O)c1ccccc1Br)CSCC2 ZINC000883139874 663050329 /nfs/dbraw/zinc/05/03/29/663050329.db2.gz CAPXTJAQKYOXSV-MRXNPFEDSA-N 1 0 382.327 2.795 20 0 GFADRO COC[C@H]([NH2+]Cc1cc(Br)c2c(c1)OCCO2)[C@H]1CCCOC1 ZINC000883180654 663050862 /nfs/dbraw/zinc/05/08/62/663050862.db2.gz HOXMVSZIYHYOBB-ZFWWWQNUSA-N 1 0 386.286 2.752 20 0 GFADRO COC[C@H]([NH2+]C[C@@H](CO)Cc1ccccc1Br)[C@@H]1CCCOC1 ZINC000883219551 663051547 /nfs/dbraw/zinc/05/15/47/663051547.db2.gz VITQCWNFNDVSOR-LESCRADOSA-N 1 0 386.330 2.631 20 0 GFADRO C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+]C[C@H](O)C(F)(F)C(F)(F)F ZINC000883358736 663053778 /nfs/dbraw/zinc/05/37/78/663053778.db2.gz PWJZFUSDOGJFJV-APPZFPTMSA-N 1 0 375.725 2.600 20 0 GFADRO C[C@@H](CC(=O)Nc1cccnc1Cl)[NH2+]C[C@@H](O)C(F)(F)C(F)(F)F ZINC000883358738 663053792 /nfs/dbraw/zinc/05/37/92/663053792.db2.gz PWJZFUSDOGJFJV-IONNQARKSA-N 1 0 375.725 2.600 20 0 GFADRO COC(=O)N1CCC([NH2+][C@@H]2CCc3cc(Br)ccc3NC2=O)CC1 ZINC000883377181 663054257 /nfs/dbraw/zinc/05/42/57/663054257.db2.gz AQRWXXFNDJGWSF-OAHLLOKOSA-N 1 0 396.285 2.523 20 0 GFADRO Cn1c(Cl)ncc1C[NH2+][C@H]1CCc2cc(Br)ccc2NC1=O ZINC000883386846 663054500 /nfs/dbraw/zinc/05/45/00/663054500.db2.gz NPHQMEQAQCHVHM-ZDUSSCGKSA-N 1 0 383.677 2.879 20 0 GFADRO CCC1([NH3+])CCN(C(=O)C(=O)Nc2nc(-c3ccc(C)s3)cs2)CC1 ZINC000883626667 663058232 /nfs/dbraw/zinc/05/82/32/663058232.db2.gz BVJFVBLMFWKKEA-UHFFFAOYSA-N 1 0 378.523 2.848 20 0 GFADRO C[C@@H]1CN(C(=O)NCc2ncc(Br)s2)CCN1c1cc[nH+]cc1 ZINC000883761229 663060309 /nfs/dbraw/zinc/06/03/09/663060309.db2.gz RKBTUKNSCXLNMI-LLVKDONJSA-N 1 0 396.314 2.721 20 0 GFADRO C[NH2+]CCCNC(=O)CCc1cc(Br)c(Br)s1 ZINC000884014009 663063809 /nfs/dbraw/zinc/06/38/09/663063809.db2.gz YHFOSNKDLZZVGI-UHFFFAOYSA-N 1 0 384.137 2.931 20 0 GFADRO C[C@@H]1CN(C(=O)Cc2csc(-c3sccc3Br)n2)CC[NH2+]1 ZINC000884030971 663063997 /nfs/dbraw/zinc/06/39/97/663063997.db2.gz CFKOZTAJAJHJBW-SECBINFHSA-N 1 0 386.340 2.997 20 0 GFADRO C[NH+]1CCC(NC(=O)NCc2ccn(-c3ccc(Br)cc3)n2)CC1 ZINC000884195664 663066890 /nfs/dbraw/zinc/06/68/90/663066890.db2.gz VRSTZTOLMRXMHX-UHFFFAOYSA-N 1 0 392.301 2.528 20 0 GFADRO O=C(COCCc1ccc(Br)cc1)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000884239284 663067556 /nfs/dbraw/zinc/06/75/56/663067556.db2.gz QXMKVYMAGSDYDN-WMZOPIPTSA-N 1 0 395.341 2.999 20 0 GFADRO CS(=O)(=O)C1CCC(C(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)CC1 ZINC000884274375 663067937 /nfs/dbraw/zinc/06/79/37/663067937.db2.gz LWJUGWISCRULSX-UHFFFAOYSA-N 1 0 378.416 2.706 20 0 GFADRO [NH3+][C@H](C(=O)N1CC[C@H](OCc2ccncc2)C1)c1ccc(Br)cc1 ZINC000884334318 663069136 /nfs/dbraw/zinc/06/91/36/663069136.db2.gz MNUYZAVBRDUYHB-IRXDYDNUSA-N 1 0 390.281 2.662 20 0 GFADRO [NH3+]Cc1ccc(CNC(=O)COCCc2ccc(Br)cc2)cc1 ZINC000884375492 663069731 /nfs/dbraw/zinc/06/97/31/663069731.db2.gz AWDLYWCKDQRHOU-UHFFFAOYSA-N 1 0 377.282 2.783 20 0 GFADRO COC(=O)C(C)(C)[C@H]1CCCN(C(=O)[C@@H]([NH3+])c2ccc(Br)cc2)C1 ZINC000884379171 663069838 /nfs/dbraw/zinc/06/98/38/663069838.db2.gz PNVCAQYUDJTSJQ-ZFWWWQNUSA-N 1 0 397.313 2.887 20 0 GFADRO [NH3+][C@@H](C(=O)NC[C@@H](n1cccn1)C(F)(F)F)c1ccc(Br)cc1 ZINC000884429147 663070611 /nfs/dbraw/zinc/07/06/11/663070611.db2.gz YXOFYTVMQQVRHM-VXGBXAGGSA-N 1 0 391.191 2.565 20 0 GFADRO [NH3+][C@H](C(=O)NC[C@H](n1cccn1)C(F)(F)F)c1ccc(Br)cc1 ZINC000884429146 663070685 /nfs/dbraw/zinc/07/06/85/663070685.db2.gz YXOFYTVMQQVRHM-RYUDHWBXSA-N 1 0 391.191 2.565 20 0 GFADRO C[C@@H](CN(C)CCC[NH+](C)C)Nc1nc2ccc(Br)cc2c(=O)[nH]1 ZINC000884553334 663072492 /nfs/dbraw/zinc/07/24/92/663072492.db2.gz VTVWQHWTLYWAEV-LBPRGKRZSA-N 1 0 396.333 2.782 20 0 GFADRO C[NH+](C)CCn1ccc(C(=O)N2CCc3cc(Br)c(F)cc3C2)n1 ZINC000884928840 663078882 /nfs/dbraw/zinc/07/88/82/663078882.db2.gz IHJGRMNLALTZOQ-UHFFFAOYSA-N 1 0 395.276 2.545 20 0 GFADRO O=S(=O)(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1cc(Br)c(F)cc1F ZINC000884950941 663079448 /nfs/dbraw/zinc/07/94/48/663079448.db2.gz UYPCWNOHFTUKMS-ZJUUUORDSA-N 1 0 395.269 2.632 20 0 GFADRO Cc1c(Br)cccc1CS(=O)(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000884958789 663079732 /nfs/dbraw/zinc/07/97/32/663079732.db2.gz DQXMRAMYFZGESD-HUUCEWRRSA-N 1 0 387.343 2.804 20 0 GFADRO C[NH+](C)CC1(C(=O)N2CCC[C@](O)(c3ccc(Br)cc3)C2)CC1 ZINC000884969785 663081306 /nfs/dbraw/zinc/08/13/06/663081306.db2.gz PZDYVWKSRVPTPA-GOSISDBHSA-N 1 0 381.314 2.601 20 0 GFADRO C[C@H]1CN(c2cc[nH+]cc2)CCN1S(=O)(=O)c1ccc(Cl)nc1Cl ZINC000885845560 663099153 /nfs/dbraw/zinc/09/91/53/663099153.db2.gz MTRYKGBMGOIYSQ-NSHDSACASA-N 1 0 387.292 2.683 20 0 GFADRO O=C(NC[C@@H]1CC[N@@H+]1C1CCOCC1)c1cc2cc(Br)ccc2[nH]1 ZINC000885860712 663099429 /nfs/dbraw/zinc/09/94/29/663099429.db2.gz LQYGDQVKIMEQSB-HNNXBMFYSA-N 1 0 392.297 2.914 20 0 GFADRO O=C(Cc1csc(-c2cccs2)n1)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000885860443 663099442 /nfs/dbraw/zinc/09/94/42/663099442.db2.gz JGCQQXPBYIBUFZ-OAHLLOKOSA-N 1 0 377.535 2.784 20 0 GFADRO O=C(NC[C@H]1CC[N@@H+]1C1CCOCC1)c1c(Cl)nccc1C(F)(F)F ZINC000885880018 663100275 /nfs/dbraw/zinc/10/02/75/663100275.db2.gz LPHXNCLPKQKDAX-LLVKDONJSA-N 1 0 377.794 2.737 20 0 GFADRO COc1cc(C)cc(C[NH2+]CCn2cc(Br)ccc2=O)c1OC ZINC000886129974 663103716 /nfs/dbraw/zinc/10/37/16/663103716.db2.gz RYFJWNPXZSYWOZ-UHFFFAOYSA-N 1 0 381.270 2.726 20 0 GFADRO OC[C@@H](C[C@H]1CCCO1)[NH2+]Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000886228624 663105269 /nfs/dbraw/zinc/10/52/69/663105269.db2.gz CDGJLRSUAQLNLS-NVXWUHKLSA-N 1 0 380.286 2.654 20 0 GFADRO Cc1cc2c(cc1Br)CN(C(=O)COC1CC[NH+](C)CC1)CC2 ZINC000886283280 663106724 /nfs/dbraw/zinc/10/67/24/663106724.db2.gz NWYZSKUKNZHVMR-UHFFFAOYSA-N 1 0 381.314 2.753 20 0 GFADRO CSCc1n[nH]c(C[NH2+]C2CCN(C(=O)c3ccccc3Cl)CC2)n1 ZINC000886325529 663108174 /nfs/dbraw/zinc/10/81/74/663108174.db2.gz IRQKVRYXHRUQOC-UHFFFAOYSA-N 1 0 379.917 2.716 20 0 GFADRO COC[C@@H]([NH2+]Cc1cnc2c(C)cc(Br)cn12)[C@H]1CCCOC1 ZINC000886357940 663108981 /nfs/dbraw/zinc/10/89/81/663108981.db2.gz NGRYWAZNROMPSE-XJKSGUPXSA-N 1 0 382.302 2.936 20 0 GFADRO CNS(=O)(=O)c1ccc(C[N@@H+]2CCC[C@@H](Cc3nc(C)cs3)C2)cc1 ZINC000886691575 663115613 /nfs/dbraw/zinc/11/56/13/663115613.db2.gz HHBQYDBVIQTNHQ-INIZCTEOSA-N 1 0 379.551 2.814 20 0 GFADRO CN(C)S(=O)(=O)C1(C[NH2+][C@H]2CCc3sc(Br)cc32)CC1 ZINC000886736735 663116596 /nfs/dbraw/zinc/11/65/96/663116596.db2.gz IXQVILMEUADIOI-JTQLQIEISA-N 1 0 379.345 2.512 20 0 GFADRO Cc1cc(Br)ccc1CS(=O)(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000886882096 663123334 /nfs/dbraw/zinc/12/33/34/663123334.db2.gz DPBKWTCZAIFJPJ-QWHCGFSZSA-N 1 0 375.332 2.565 20 0 GFADRO CC(C)(C)c1cc(CS(=O)(=O)N(CC[NH3+])Cc2cccc(Cl)c2)no1 ZINC000886894480 663123874 /nfs/dbraw/zinc/12/38/74/663123874.db2.gz QUVAADWYSLIYKS-UHFFFAOYSA-N 1 0 385.917 2.916 20 0 GFADRO O=S(=O)(/C=C/c1cccc(Br)c1)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000886896484 663123959 /nfs/dbraw/zinc/12/39/59/663123959.db2.gz LCMPKUFGIOOUIS-NTYUQYKDSA-N 1 0 395.269 2.584 20 0 GFADRO CCOc1ccc(S(=O)(=O)NC[C@H]2C[NH2+]CCC2(F)F)cc1C(C)C ZINC000886899662 663124204 /nfs/dbraw/zinc/12/42/04/663124204.db2.gz QQBKGEWKGDJWLM-CYBMUJFWSA-N 1 0 376.469 2.732 20 0 GFADRO C[C@H](NC(=O)C[NH2+][C@@H](C)c1cccc(SC(F)(F)F)c1)C(=O)N(C)C ZINC000886930323 663125087 /nfs/dbraw/zinc/12/50/87/663125087.db2.gz YYVXGBXXUHDEEO-QWRGUYRKSA-N 1 0 377.432 2.542 20 0 GFADRO [NH3+][C@H]1CCC[C@@H](NC(=O)C(=O)Nc2cc(Br)c3ccccc3c2)C1 ZINC000886983537 663127105 /nfs/dbraw/zinc/12/71/05/663127105.db2.gz AWNNAXGDNBGBJN-QWHCGFSZSA-N 1 0 390.281 2.927 20 0 GFADRO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)Nc2cc(Br)c3ccccc3c2)C1 ZINC000886982392 663127154 /nfs/dbraw/zinc/12/71/54/663127154.db2.gz OEYOWMHFNUTLSP-LBPRGKRZSA-N 1 0 390.281 2.609 20 0 GFADRO CCN(C(=O)C(=O)Nc1ccc(Br)c2ccccc12)[C@@H]1CC[NH2+]C1 ZINC000887003775 663128457 /nfs/dbraw/zinc/12/84/57/663128457.db2.gz BMHQRCYVVQYLAO-GFCCVEGCSA-N 1 0 390.281 2.751 20 0 GFADRO Cc1sc(Cc2ncc(Cl)n2C)nc1-c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000887428052 663146144 /nfs/dbraw/zinc/14/61/44/663146144.db2.gz NVBBGSMFGBNVRQ-NSHDSACASA-N 1 0 377.905 2.612 20 0 GFADRO Cn1c(Cl)cnc1Cc1nc(-c2cn(CCCCCC[NH3+])nn2)cs1 ZINC000887427835 663146206 /nfs/dbraw/zinc/14/62/06/663146206.db2.gz CYBOYAKFRFWHQI-UHFFFAOYSA-N 1 0 379.921 2.898 20 0 GFADRO C[C@@H](CNC(=O)Nc1cc(Br)ccc1N1CCOCC1)C[NH+](C)C ZINC000887670039 663157500 /nfs/dbraw/zinc/15/75/00/663157500.db2.gz JYNDZCBFIDBREJ-ZDUSSCGKSA-N 1 0 399.333 2.605 20 0 GFADRO Cn1cc(C(=O)N(c2ccccc2)C2CC[NH+](C)CC2)c(Br)n1 ZINC000888272475 663185495 /nfs/dbraw/zinc/18/54/95/663185495.db2.gz LWXGUEDCVCRVHG-UHFFFAOYSA-N 1 0 377.286 2.924 20 0 GFADRO C[C@H](CNC(=O)Nc1cc(N2CCOCC2)ccc1Br)C[NH+](C)C ZINC000888306698 663188628 /nfs/dbraw/zinc/18/86/28/663188628.db2.gz HJKMUGMXYDHTCK-CYBMUJFWSA-N 1 0 399.333 2.605 20 0 GFADRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)Nc1nc2ccc(Cl)nc2s1 ZINC000888785172 663215608 /nfs/dbraw/zinc/21/56/08/663215608.db2.gz RHHQXGRXHGAYST-NSHDSACASA-N 1 0 383.905 2.919 20 0 GFADRO Cn1cc(C(=O)NC[C@H]2CCC[N@@H+]2CC2CCCCC2)c(Br)n1 ZINC000888873338 663222321 /nfs/dbraw/zinc/22/23/21/663222321.db2.gz ZCMRNCBQONTUAD-CQSZACIVSA-N 1 0 383.334 2.957 20 0 GFADRO Cn1cc(C(=O)N(CC[NH+](C)C)Cc2ccccc2F)c(Br)n1 ZINC000888954660 663226588 /nfs/dbraw/zinc/22/65/88/663226588.db2.gz QZBJFSTVXSZQMM-UHFFFAOYSA-N 1 0 383.265 2.526 20 0 GFADRO CCc1cc(C(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)ccc1Br ZINC000889741128 663262121 /nfs/dbraw/zinc/26/21/21/663262121.db2.gz AZSKGMWKZRJRIS-IAGOWNOFSA-N 1 0 381.314 2.683 20 0 GFADRO Cc1ccc(F)c(C(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)c1Br ZINC000889755863 663263643 /nfs/dbraw/zinc/26/36/43/663263643.db2.gz JBEPSDQMSYAHDF-ZIAGYGMSSA-N 1 0 385.277 2.568 20 0 GFADRO O=C(N1CCOc2c(Cl)cc(Br)cc2C1)C12CC[NH+](CC1)C2 ZINC000889864541 663272860 /nfs/dbraw/zinc/27/28/60/663272860.db2.gz QCDABAVIJBPRKW-UHFFFAOYSA-N 1 0 385.689 2.919 20 0 GFADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)CCCc1ccc(Br)cc1 ZINC000890009695 663280621 /nfs/dbraw/zinc/28/06/21/663280621.db2.gz OXZUHNRGTLZMFC-INIZCTEOSA-N 1 0 396.373 2.914 20 0 GFADRO C[C@@H]1C[C@H]([NH3+])CN1C(=O)NCC1(c2cccc(Br)c2)CCOCC1 ZINC000891395772 663338224 /nfs/dbraw/zinc/33/82/24/663338224.db2.gz XEIUATBJGZLZQE-CJNGLKHVSA-N 1 0 396.329 2.628 20 0 GFADRO Cc1cc(Br)ccc1CNC(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000891538744 663342968 /nfs/dbraw/zinc/34/29/68/663342968.db2.gz UDBCZIPRZIPDRD-INIZCTEOSA-N 1 0 396.329 2.715 20 0 GFADRO C[C@@]1(Br)C[C@H]1C[NH+]1CCN(Cc2nc3ccccc3c(=O)[nH]2)CC1 ZINC000891543450 663343565 /nfs/dbraw/zinc/34/35/65/663343565.db2.gz QYFFHQZQWVHVOB-SCLBCKFNSA-N 1 0 391.313 2.627 20 0 GFADRO COCCC1(NC(=O)NCc2cccc(C)c2Br)CC[NH2+]CC1 ZINC000891840348 663352567 /nfs/dbraw/zinc/35/25/67/663352567.db2.gz XTHNYCRCKZOSRF-UHFFFAOYSA-N 1 0 384.318 2.715 20 0 GFADRO CCn1c(CNC(=O)NCCC(C)(C)[NH3+])nc2cc(Br)ccc21 ZINC000891850990 663352936 /nfs/dbraw/zinc/35/29/36/663352936.db2.gz BDETXIWAHIDPCP-UHFFFAOYSA-N 1 0 382.306 2.745 20 0 GFADRO Nc1cc[nH+]c(CNC(=O)N[C@H]2CCOc3c(Br)cccc32)c1 ZINC000891881090 663354005 /nfs/dbraw/zinc/35/40/05/663354005.db2.gz BFTBKTHHLAMONY-AWEZNQCLSA-N 1 0 377.242 2.749 20 0 GFADRO O=C(N[C@@H]1COc2cc(F)c(Br)cc21)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000891887133 663354249 /nfs/dbraw/zinc/35/42/49/663354249.db2.gz DZTXHTHNUOOFSF-BFHYXJOUSA-N 1 0 384.249 2.558 20 0 GFADRO CC1(CNC(=O)N[C@@H]2[C@@H]3Cc4ccc(Br)cc4[C@@H]32)CC[NH2+]CC1 ZINC000892054081 663360782 /nfs/dbraw/zinc/36/07/82/663360782.db2.gz RVAVPQNIEOQNBX-OWCLPIDISA-N 1 0 378.314 2.776 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)N(C)C[C@H](O)COc2cc(Cl)cc(Cl)c2)CC[NH2+]1 ZINC000892094761 663361478 /nfs/dbraw/zinc/36/14/78/663361478.db2.gz CDQNYGSMMZTLLE-UGFHNGPFSA-N 1 0 390.311 2.515 20 0 GFADRO O=C(NCc1ccc(Br)cn1)NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000892119083 663362433 /nfs/dbraw/zinc/36/24/33/663362433.db2.gz LRPDZTMJSZHZJM-INIZCTEOSA-N 1 0 375.270 2.530 20 0 GFADRO O=C(N[C@H]1[C@@H]2Cc3cc(Br)ccc3[C@@H]21)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000892425415 663373154 /nfs/dbraw/zinc/37/31/54/663373154.db2.gz BDUSIHLFBYTRGI-NRKLIOEPSA-N 1 0 376.298 2.623 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)N[C@@H]2[C@H]3Cc4cc(Br)ccc4[C@@H]23)C1 ZINC000892425314 663373162 /nfs/dbraw/zinc/37/31/62/663373162.db2.gz ABMILVITTGVRGY-GYNTZJLWSA-N 1 0 378.314 2.856 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)N[C@@H]3[C@H]4Cc5cc(Br)ccc5[C@@H]34)C[C@@H]21 ZINC000892428276 663373391 /nfs/dbraw/zinc/37/33/91/663373391.db2.gz WHLOBXHAIWTIEL-ZTCURIOJSA-N 1 0 390.325 2.856 20 0 GFADRO [NH3+]C[C@H]1CC[C@H](NC(=O)N[C@@H](CCO)c2ccccc2Br)CC1 ZINC000892445146 663373754 /nfs/dbraw/zinc/37/37/54/663373754.db2.gz LMMBISZOGKWFGA-XEZPLFJOSA-N 1 0 384.318 2.689 20 0 GFADRO Cc1[nH+]ccc(NCc2ccc(N(C)S(C)(=O)=O)cc2)c1Br ZINC000892472673 663374960 /nfs/dbraw/zinc/37/49/60/663374960.db2.gz ATDLRLWGPBJKAL-UHFFFAOYSA-N 1 0 384.299 2.582 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)NCCSCCC(F)(F)F)CC[C@@H]1C(F)(F)F ZINC000892541794 663376926 /nfs/dbraw/zinc/37/69/26/663376926.db2.gz FZRGELIRVHXBPA-ZJUUUORDSA-N 1 0 381.386 2.841 20 0 GFADRO [NH3+][C@H]1C[C@H](CNC(=O)N(Cc2cccc(Br)c2)C2CCOCC2)C1 ZINC000892573075 663377680 /nfs/dbraw/zinc/37/76/80/663377680.db2.gz URMXJIDCEXZSSD-KOMQPUFPSA-N 1 0 396.329 2.877 20 0 GFADRO [NH3+][C@H]1C[C@H](CNC(=O)N2CCC[C@H]2C(=O)Nc2cc(Cl)cc(Cl)c2)C1 ZINC000892583416 663377941 /nfs/dbraw/zinc/37/79/41/663377941.db2.gz QDDJWAKZFULMLV-XEGUGMAKSA-N 1 0 385.295 2.843 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)NCc2ccc(Br)cn2)CC[C@@H]1C(F)(F)F ZINC000892617070 663378707 /nfs/dbraw/zinc/37/87/07/663378707.db2.gz SMWSTBMYRQHEPV-CABZTGNLSA-N 1 0 395.223 2.513 20 0 GFADRO O=C1OCCN1c1cccc(C[NH2+]Cc2ncc(Br)cc2O)c1 ZINC000892665374 663380621 /nfs/dbraw/zinc/38/06/21/663380621.db2.gz MZMQYMCAEDBYFD-UHFFFAOYSA-N 1 0 378.226 2.796 20 0 GFADRO CCOC(=O)c1ncc(Br)c(N2CC[C@@H](C[N@H+](C)CC3CC3)C2)n1 ZINC000892763691 663384148 /nfs/dbraw/zinc/38/41/48/663384148.db2.gz PFHIMWDGYZPSFA-ZDUSSCGKSA-N 1 0 397.317 2.584 20 0 GFADRO O=C(NCCC[NH2+]Cc1nccn1C1CC1)c1cccc(Br)c1 ZINC000892786803 663384857 /nfs/dbraw/zinc/38/48/57/663384857.db2.gz UFRDUXHDODPTLD-UHFFFAOYSA-N 1 0 377.286 2.890 20 0 GFADRO [NH3+]Cc1nc2c(s1)CCN(C(=O)N1CCc3ccc(Br)cc31)C2 ZINC000892877798 663387890 /nfs/dbraw/zinc/38/78/90/663387890.db2.gz JWZPFTYWQPBECD-UHFFFAOYSA-N 1 0 393.310 2.905 20 0 GFADRO CN(C)c1nc(C(F)(F)F)ccc1C[NH2+][C@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000893002055 663392701 /nfs/dbraw/zinc/39/27/01/663392701.db2.gz UVMTVIMHLXGZCZ-STQMWFEESA-N 1 0 379.448 2.612 20 0 GFADRO C[C@@H]1CCC[C@H](CC[NH+](C)C)N1C(=O)c1nn2c(c1Br)CCC2 ZINC000893006979 663392909 /nfs/dbraw/zinc/39/29/09/663392909.db2.gz HGDVPBACLWQYCM-CHWSQXEVSA-N 1 0 383.334 2.927 20 0 GFADRO C[C@@H]1CCC[C@@H](CC[NH+](C)C)N1C(=O)Cc1cc[nH]c(=O)c1Br ZINC000893015411 663393127 /nfs/dbraw/zinc/39/31/27/663393127.db2.gz RHQRGRKVKHMOAR-OCCSQVGLSA-N 1 0 384.318 2.814 20 0 GFADRO CS(=O)(=O)c1cccc([C@H]([NH2+]C2CCS(=O)CC2)c2ccccc2)c1 ZINC000893357591 663408459 /nfs/dbraw/zinc/40/84/59/663408459.db2.gz RVGDLOSOUPOJRX-ZIYFGUEUSA-N 1 0 377.531 2.680 20 0 GFADRO CCOC(=O)N1CC[C@@H]([NH2+]Cc2ccc(Br)cc2NC(C)=O)C1 ZINC000893656971 663419368 /nfs/dbraw/zinc/41/93/68/663419368.db2.gz WGICNBBTFCABJN-CQSZACIVSA-N 1 0 384.274 2.728 20 0 GFADRO CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000893996745 663435986 /nfs/dbraw/zinc/43/59/86/663435986.db2.gz AMCWXKQCKAQPAT-FAYQHZLMSA-N 1 0 396.329 2.728 20 0 GFADRO CC(C)CN(Cc1nc(Br)nn1C)C[C@H](O)c1ccc(F)cc1 ZINC000894032316 663438797 /nfs/dbraw/zinc/43/87/97/663438797.db2.gz IEHINUHTLMJCLE-AWEZNQCLSA-N 1 0 385.281 2.908 20 0 GFADRO Clc1nc(N2CCOCC2)sc1CN1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000894055576 663439832 /nfs/dbraw/zinc/43/98/32/663439832.db2.gz ZQEAJDLGIGDJJO-HNNXBMFYSA-N 1 0 384.977 2.941 20 0 GFADRO CC[NH+]1CCN(c2ccc(NCc3nc(Br)nn3C)c(C)c2)CC1 ZINC000894097875 663442490 /nfs/dbraw/zinc/44/24/90/663442490.db2.gz RVMKKKRFSDRGMD-UHFFFAOYSA-N 1 0 393.333 2.640 20 0 GFADRO Cn1cnc(CCNc2ncnc3c2c(Br)nn3C(C)(C)C)c1 ZINC000894151048 663445627 /nfs/dbraw/zinc/44/56/27/663445627.db2.gz JPKKKXKYFCMROL-UHFFFAOYSA-N 1 0 378.278 2.732 20 0 GFADRO Clc1nc(N2CCOCC2)sc1C[NH2+]C[C@@H]1COc2ccccc2O1 ZINC000894161919 663446117 /nfs/dbraw/zinc/44/61/17/663446117.db2.gz YLJZPQKELVCCRE-GFCCVEGCSA-N 1 0 381.885 2.563 20 0 GFADRO Cn1ncc(I)c1C[NH2+]CCc1c(F)cccc1F ZINC000894195420 663447893 /nfs/dbraw/zinc/44/78/93/663447893.db2.gz ZRCLQUOLTNZRNS-UHFFFAOYSA-N 1 0 377.176 2.635 20 0 GFADRO C[C@@H](NCc1nc(Br)nn1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000894423361 663460668 /nfs/dbraw/zinc/46/06/68/663460668.db2.gz PEAKGUDCYBZSPJ-UKRRQHHQSA-N 1 0 378.318 2.578 20 0 GFADRO COC(=O)c1ccc(C[NH2+]C[C@H]2CCCCS2(=O)=O)c(C(F)(F)F)c1 ZINC000894442618 663461741 /nfs/dbraw/zinc/46/17/41/663461741.db2.gz XXEAIUQSYQDSBR-CYBMUJFWSA-N 1 0 379.400 2.549 20 0 GFADRO Cn1cc(C[NH2+]CCc2ccc(F)c(F)c2F)c(I)n1 ZINC000894445756 663462076 /nfs/dbraw/zinc/46/20/76/663462076.db2.gz UVQJVKBBZPCWSX-UHFFFAOYSA-N 1 0 395.166 2.774 20 0 GFADRO OC[C@H]([NH2+][C@@H]1CCC2(C[C@H]1F)OCCO2)c1ccc(Br)c(F)c1 ZINC000894593910 663470341 /nfs/dbraw/zinc/47/03/41/663470341.db2.gz OOOJOGLGVSHUDO-KFWWJZLASA-N 1 0 392.240 2.845 20 0 GFADRO CC(C)(C[NH2+]Cc1cnc(CC(F)(F)F)s1)[C@H]1COCC12OCCO2 ZINC000894856929 663485460 /nfs/dbraw/zinc/48/54/60/663485460.db2.gz QTGHTWAUCHTTQV-GFCCVEGCSA-N 1 0 380.432 2.753 20 0 GFADRO Cn1cc(C[NH+]2CCC3(CCC(O)CC3)CC2)c(I)n1 ZINC000894870966 663485862 /nfs/dbraw/zinc/48/58/62/663485862.db2.gz QXUIHIRHIYOADP-UHFFFAOYSA-N 1 0 389.281 2.542 20 0 GFADRO COCO[C@@H](C)c1cc(F)c(C[NH2+]C[C@@H]2COCO2)cc1Br ZINC000894886054 663486614 /nfs/dbraw/zinc/48/66/14/663486614.db2.gz BVJJURRRNASPST-CMPLNLGQSA-N 1 0 378.238 2.732 20 0 GFADRO CNC(=O)[C@H](C[NH2+]C[C@@H]1C[C@@]1(C)Br)Cc1ccc(OC)c(F)c1 ZINC000895084551 663498738 /nfs/dbraw/zinc/49/87/38/663498738.db2.gz YVMCIIXAGFCRGR-GDZNZVCISA-N 1 0 387.293 2.502 20 0 GFADRO O=C(NCc1ccccc1)[C@@H]1CC[N@@H+](Cc2ncc(Br)cc2O)C1 ZINC000895114901 663500081 /nfs/dbraw/zinc/50/00/81/663500081.db2.gz NYZVZXUPQSSZBS-CQSZACIVSA-N 1 0 390.281 2.688 20 0 GFADRO COc1cc2[nH+]ccc(NCC[C@@H]3CC(=O)N(C)C3)c2cc1Br ZINC000895478159 663516582 /nfs/dbraw/zinc/51/65/82/663516582.db2.gz JYAQPDCZPJCRKM-LLVKDONJSA-N 1 0 378.270 2.708 20 0 GFADRO CC(=O)N1CC[C@@H]([NH2+]Cc2cc(Br)ccc2Br)C1 ZINC000895517548 663517757 /nfs/dbraw/zinc/51/77/57/663517757.db2.gz GBCBYKWBOQRZQB-GFCCVEGCSA-N 1 0 376.092 2.922 20 0 GFADRO O=C(Nc1ccc(C[NH+]2CCCC2)cc1)c1c[nH]nc1I ZINC000895601665 663520435 /nfs/dbraw/zinc/52/04/35/663520435.db2.gz OQUGCYSUYZXNRO-UHFFFAOYSA-N 1 0 396.232 2.862 20 0 GFADRO CC[C@H](CO)Nc1cc(N2CCC[C@H]2c2ncc(Br)cn2)ncn1 ZINC000895712067 663524762 /nfs/dbraw/zinc/52/47/62/663524762.db2.gz XZIBWOPVGPJPQX-OLZOCXBDSA-N 1 0 393.289 2.553 20 0 GFADRO O=C1NCC2(CCOCC2)[C@@H]1[NH2+]C1CC(c2cccc(Br)c2)C1 ZINC000895769428 663527080 /nfs/dbraw/zinc/52/70/80/663527080.db2.gz OVMIWLKHNVCGFQ-AVVWSFFYSA-N 1 0 379.298 2.580 20 0 GFADRO CO[C@@H](C[NH2+]Cc1ccn(-c2ccc(Br)cc2)n1)[C@H]1CCOC1 ZINC000895805044 663528297 /nfs/dbraw/zinc/52/82/97/663528297.db2.gz QGSJEHBFXVQODH-GUYCJALGSA-N 1 0 380.286 2.776 20 0 GFADRO C[C@H]1CCC[C@](CNC(=O)c2nn3c(c2Br)CCC3)([NH+](C)C)C1 ZINC000895834993 663529500 /nfs/dbraw/zinc/52/95/00/663529500.db2.gz VORAQQLOPNGDHA-SJCJKPOMSA-N 1 0 383.334 2.832 20 0 GFADRO CC[C@@H](Cc1ccc(Br)cc1)NC(=O)NCC[NH+]1CCC(O)CC1 ZINC000895881810 663531882 /nfs/dbraw/zinc/53/18/82/663531882.db2.gz NXGVCEUQBSRYFQ-INIZCTEOSA-N 1 0 398.345 2.526 20 0 GFADRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)COCCc2ccc(Br)cc2)C1 ZINC000895943587 663534316 /nfs/dbraw/zinc/53/43/16/663534316.db2.gz MKUQQHVEQIRUEI-INIZCTEOSA-N 1 0 383.330 2.855 20 0 GFADRO C[NH+](C)C[C@H](NC(=O)N1CC[C@@H](O)[C@@H](F)C1)c1ccc(Cl)c(Cl)c1 ZINC000896009568 663537346 /nfs/dbraw/zinc/53/73/46/663537346.db2.gz CDZZAVGTQDYNHN-SOUVJXGZSA-N 1 0 378.275 2.710 20 0 GFADRO CCO[P@](C)(=O)CC[C@@H](C)[NH2+]CC1(S(=O)(=O)NC(C)(C)C)CCC1 ZINC000896281772 663548908 /nfs/dbraw/zinc/54/89/08/663548908.db2.gz IBJPYPKGPJEWID-FATZIPQQSA-N 1 0 382.507 2.940 20 0 GFADRO NS(=O)(=O)c1ccc(C[N@@H+]2CCC[C@@H](c3nc4c(s3)CCC4)C2)cc1 ZINC000896518673 663559938 /nfs/dbraw/zinc/55/99/38/663559938.db2.gz SWQGQQBHZLSDOO-CQSZACIVSA-N 1 0 377.535 2.659 20 0 GFADRO CC(C)Oc1cc(C(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCN2C)ccc1Br ZINC000896531591 663561638 /nfs/dbraw/zinc/56/16/38/663561638.db2.gz GQBHVFKTYYSGII-BBRMVZONSA-N 1 0 398.345 2.600 20 0 GFADRO C[C@@H](NC(=O)c1cc(Cl)c(Br)cc1F)[C@H]1C[N@H+](C)CCN1C ZINC000896539344 663561996 /nfs/dbraw/zinc/56/19/96/663561996.db2.gz MXKHQQJNHIIXIS-YMTOWFKASA-N 1 0 392.700 2.606 20 0 GFADRO CC[C@H](Cc1ccccc1Br)C(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCN1C ZINC000896557128 663564042 /nfs/dbraw/zinc/56/40/42/663564042.db2.gz RYQKOHQVKWPICG-RKVPGOIHSA-N 1 0 396.373 2.768 20 0 GFADRO CC(C)Oc1cc(Br)ccc1C(=O)N[C@H](C)[C@H]1C[N@H+](C)CCN1C ZINC000896567892 663564888 /nfs/dbraw/zinc/56/48/88/663564888.db2.gz JIDBTPUERUIGLK-CZUORRHYSA-N 1 0 398.345 2.600 20 0 GFADRO C[C@H](NC(=O)COc1cc(Cl)c(Cl)cc1Cl)[C@@H]1C[N@H+](C)CCN1C ZINC000896582752 663566371 /nfs/dbraw/zinc/56/63/71/663566371.db2.gz UAHSCFZBAPOBRW-HZMBPMFUSA-N 1 0 394.730 2.776 20 0 GFADRO CO[C@]1(C[NH2+][C@H](C)COc2ccc(Cl)c(Cl)c2)CCS(=O)(=O)C1 ZINC000896682241 663571472 /nfs/dbraw/zinc/57/14/72/663571472.db2.gz JXPUSHHVTRNFMO-ABAIWWIYSA-N 1 0 382.309 2.554 20 0 GFADRO CC[N@H+](CCC(N)=O)Cc1cc(Br)c(OC(F)F)c(OC)c1 ZINC000896714880 663573318 /nfs/dbraw/zinc/57/33/18/663573318.db2.gz JXBZMSDBRHSCAA-UHFFFAOYSA-N 1 0 381.217 2.756 20 0 GFADRO COc1cc(Br)cc(C[NH2+][C@H]2CCC[C@@H](S(C)(=O)=O)C2)c1 ZINC000896807817 663577457 /nfs/dbraw/zinc/57/74/57/663577457.db2.gz NKRGJURVZSXLKE-DZGCQCFKSA-N 1 0 376.316 2.903 20 0 GFADRO C[C@@H](C[NH2+]C[C@@H]1CCCN1CC(F)(F)F)c1ccc(S(C)(=O)=O)cc1 ZINC000896838168 663578862 /nfs/dbraw/zinc/57/88/62/663578862.db2.gz CGIVZRMQPCLSGL-ZFWWWQNUSA-N 1 0 378.460 2.810 20 0 GFADRO C[C@@H](Cc1ccccc1Br)NC(=O)C1C[NH+](C2CCOCC2)C1 ZINC000896974522 663583616 /nfs/dbraw/zinc/58/36/16/663583616.db2.gz CMEIDVPGEVDSKU-ZDUSSCGKSA-N 1 0 381.314 2.607 20 0 GFADRO CC[C@H]1C[C@@H](C[N@@H+]2CCn3ncc(I)c3C2)CCO1 ZINC000897289473 663598925 /nfs/dbraw/zinc/59/89/25/663598925.db2.gz YUULLEAZJOTEHG-RYUDHWBXSA-N 1 0 375.254 2.509 20 0 GFADRO Cn1cc(C(=O)N[C@H](C[NH+](C)C)c2ccc(Cl)cc2)c(Br)n1 ZINC000897691241 663615841 /nfs/dbraw/zinc/61/58/41/663615841.db2.gz IVEYOBNZKBUYBL-CYBMUJFWSA-N 1 0 385.693 2.869 20 0 GFADRO O=C(Nc1cnc(-c2ccc(Cl)s2)nc1)C1C[NH+](C2CCOCC2)C1 ZINC000898104639 663633468 /nfs/dbraw/zinc/63/34/68/663633468.db2.gz CGJNRUYDEFXVGL-UHFFFAOYSA-N 1 0 378.885 2.908 20 0 GFADRO O=c1cc(N2CC[C@@H]([NH2+]Cc3ccc(Br)cc3Cl)C2)nc[nH]1 ZINC000898155764 663636161 /nfs/dbraw/zinc/63/61/61/663636161.db2.gz QZXSKOBXHPICRL-GFCCVEGCSA-N 1 0 383.677 2.967 20 0 GFADRO O=c1cc(N2CC[C@H]([NH2+]Cc3ccc(Cl)cc3Br)C2)nc[nH]1 ZINC000898154497 663636208 /nfs/dbraw/zinc/63/62/08/663636208.db2.gz FAHKQVDEYAXPFY-LBPRGKRZSA-N 1 0 383.677 2.967 20 0 GFADRO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]Cc1cnc2n1CCOC2 ZINC000898267367 663641596 /nfs/dbraw/zinc/64/15/96/663641596.db2.gz HXCMFGDADDOKQM-GFCCVEGCSA-N 1 0 393.285 2.683 20 0 GFADRO COC(=O)C1CC2(C1)C[C@@H]([NH2+]Cc1cccc(Cl)c1C)CCS2(=O)=O ZINC000898481009 663651860 /nfs/dbraw/zinc/65/18/60/663651860.db2.gz FXDQXMAQRKAGBO-CSLYMUCUSA-N 1 0 385.913 2.637 20 0 GFADRO CC1(C)CC[N@H+](CCNC(=O)N2CCC[C@@H]2c2ncc(Br)cn2)C1 ZINC000898587057 663657327 /nfs/dbraw/zinc/65/73/27/663657327.db2.gz VBPYAGGXAOHADA-CQSZACIVSA-N 1 0 396.333 2.818 20 0 GFADRO Cn1ncc(C(F)(F)F)c1C[NH2+][C@H]1CCc2ncc(Br)n2C1 ZINC000898719401 663660290 /nfs/dbraw/zinc/66/02/90/663660290.db2.gz FIXBDTDGSVFWMS-QMMMGPOBSA-N 1 0 378.196 2.503 20 0 GFADRO COc1cc(OC)c(C[NH2+][C@@H]2CCc3ncc(Br)n3C2)c(OC)c1 ZINC000898726596 663661771 /nfs/dbraw/zinc/66/17/71/663661771.db2.gz JRTOIDFRSMVXPO-LLVKDONJSA-N 1 0 396.285 2.776 20 0 GFADRO O=C(CSC[C@@H]1CCCCO1)Nc1ccc(NC2=[NH+]CCN2)c(Cl)c1 ZINC000899048576 663673458 /nfs/dbraw/zinc/67/34/58/663673458.db2.gz AHUCCHZFTNRFIC-ZDUSSCGKSA-N 1 0 382.917 2.952 20 0 GFADRO C[NH2+]C1(CNC(=O)c2ccc(Cn3cc(Br)cn3)s2)CCC1 ZINC000899151245 663677879 /nfs/dbraw/zinc/67/78/79/663677879.db2.gz WKGSTBXXTBBGRV-UHFFFAOYSA-N 1 0 383.315 2.627 20 0 GFADRO Cc1c(Br)ccc(F)c1C(=O)N1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000899211116 663679956 /nfs/dbraw/zinc/67/99/56/663679956.db2.gz BTAKZJFAXYLINL-UHFFFAOYSA-N 1 0 399.304 2.863 20 0 GFADRO C[NH+](C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1cscc1Cl ZINC000899245332 663680813 /nfs/dbraw/zinc/68/08/13/663680813.db2.gz ZOJZTFRFRISUOS-CYBMUJFWSA-N 1 0 375.922 2.863 20 0 GFADRO [NH3+][C@H](c1cn([C@H]2CCOc3ccc(Br)cc32)nn1)C1CCOCC1 ZINC000899739123 663699729 /nfs/dbraw/zinc/69/97/29/663699729.db2.gz VZMIITMUVHAMQD-RDJZCZTQSA-N 1 0 393.285 2.839 20 0 GFADRO C[C@](O)(c1cn(C[C@@H]2CCCC[NH2+]C2)nn1)c1ccccc1Br ZINC000899741288 663700028 /nfs/dbraw/zinc/70/00/28/663700028.db2.gz OQRBSOKDNLQIMS-CXAGYDPISA-N 1 0 379.302 2.686 20 0 GFADRO Brc1ccc(C2(c3nc(-c4ncccn4)no3)CC[NH2+]CC2)cc1 ZINC000899998291 663706239 /nfs/dbraw/zinc/70/62/39/663706239.db2.gz QSFGMAZQQTYYMZ-UHFFFAOYSA-N 1 0 386.253 2.959 20 0 GFADRO CCn1c(Br)ncc1C(=O)Nc1ccnn1C1CC[NH+](CC)CC1 ZINC000900521425 663716305 /nfs/dbraw/zinc/71/63/05/663716305.db2.gz AEYPRCVOABDWIO-UHFFFAOYSA-N 1 0 395.305 2.771 20 0 GFADRO O=C(Nc1ccnn1Cc1cccc(Br)c1)C12CC[NH+](CC1)C2 ZINC000900522912 663716313 /nfs/dbraw/zinc/71/63/13/663716313.db2.gz VKFDWMRUGHYBLY-UHFFFAOYSA-N 1 0 375.270 2.728 20 0 GFADRO C[C@@H](NC(=O)c1ccnn1CC[NH+](C)C)c1ccc(F)c(Br)c1 ZINC000900627222 663718434 /nfs/dbraw/zinc/71/84/34/663718434.db2.gz SPRWCZAMJCTQTP-LLVKDONJSA-N 1 0 383.265 2.837 20 0 GFADRO C[C@@H](CNC(=O)c1c(Cl)cccc1C(F)(F)F)C[NH+]1CCN(C)CC1 ZINC000900693153 663719745 /nfs/dbraw/zinc/71/97/45/663719745.db2.gz NGRSJJFNFGJIDO-LBPRGKRZSA-N 1 0 377.838 2.972 20 0 GFADRO O=C([C@H](O)c1cccc(Br)c1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000900784849 663721358 /nfs/dbraw/zinc/72/13/58/663721358.db2.gz VVLGHXAXHLDHNE-DLBZAZTESA-N 1 0 381.314 2.959 20 0 GFADRO C[N@@H+]1CC[C@H](C(=O)NCc2ncc(Br)cn2)[C@@H]1c1ccccc1 ZINC000900790884 663721487 /nfs/dbraw/zinc/72/14/87/663721487.db2.gz AMMZWNSOROECTF-HOCLYGCPSA-N 1 0 375.270 2.548 20 0 GFADRO O=C(N[C@@H]1CCc2ncc(Br)n2C1)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000900926113 663725909 /nfs/dbraw/zinc/72/59/09/663725909.db2.gz HGDGQRNMTCIYAO-UONOGXRCSA-N 1 0 395.345 2.731 20 0 GFADRO C[N@@H+]1CCC[C@@](O)(CC(=O)N(Cc2csc(Br)c2)C2CC2)C1 ZINC000901184120 663731914 /nfs/dbraw/zinc/73/19/14/663731914.db2.gz IXBUASKAIJWKEH-MRXNPFEDSA-N 1 0 387.343 2.848 20 0 GFADRO C[C@H]1Cc2ccc(Br)cc2CN1C(=O)C[C@]1(O)CCC[N@H+](C)C1 ZINC000901280471 663733725 /nfs/dbraw/zinc/73/37/25/663733725.db2.gz ZSOJAQRGEJGMQA-SCLBCKFNSA-N 1 0 381.314 2.569 20 0 GFADRO Cc1nc(-c2cc3c(s2)CCN(C(=O)[C@@]2(C)C[C@@H](O)C[N@H+]2C)C3)cs1 ZINC000901301009 663733915 /nfs/dbraw/zinc/73/39/15/663733915.db2.gz GYCDDNHSSPIAEQ-FZKQIMNGSA-N 1 0 377.535 2.520 20 0 GFADRO COc1ccccc1NC(=O)[C@H](C)[NH2+][C@@H]1CCc2ncc(Br)n2C1 ZINC000901726763 663743560 /nfs/dbraw/zinc/74/35/60/663743560.db2.gz ARMSPZNMBSJBHW-NWDGAFQWSA-N 1 0 393.285 2.586 20 0 GFADRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@H]2CCc3ncc(Br)n3C2)cc1 ZINC000901727198 663743723 /nfs/dbraw/zinc/74/37/23/663743723.db2.gz DPQNTRYVXZITSM-AAEUAGOBSA-N 1 0 393.285 2.586 20 0 GFADRO O=S1(=O)CC[C@H](NC[C@H]2CCCCC[NH2+]2)c2cc(Br)ccc21 ZINC000902481149 663761887 /nfs/dbraw/zinc/76/18/87/663761887.db2.gz AFHZBTDOFIAKSB-HIFRSBDPSA-N 1 0 387.343 2.789 20 0 GFADRO O=S1(=O)CC[C@@H](NC[C@H]2CCCCC[NH2+]2)c2cc(Br)ccc21 ZINC000902481150 663761902 /nfs/dbraw/zinc/76/19/02/663761902.db2.gz AFHZBTDOFIAKSB-UKRRQHHQSA-N 1 0 387.343 2.789 20 0 GFADRO COC(=O)c1c2cnn(C[N@@H+](C)[C@@H]3CC[C@H]3OC)c2ccc1Br ZINC000902636343 663764943 /nfs/dbraw/zinc/76/49/43/663764943.db2.gz AKUWFGDZUCQFFC-ZIAGYGMSSA-N 1 0 382.258 2.652 20 0 GFADRO O=C(NCC[NH2+][C@@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21)c1ccc(Br)cc1 ZINC000902759150 663767250 /nfs/dbraw/zinc/76/72/50/663767250.db2.gz QERQQKZBGRYAKI-FIDHJVLJSA-N 1 0 379.298 2.582 20 0 GFADRO CCCn1cc([C@@H](C)[NH2+]C[C@H](CO)Cc2ccc(Br)cc2)nn1 ZINC000902973891 663770156 /nfs/dbraw/zinc/77/01/56/663770156.db2.gz XWNNLCZUQPNNRR-UKRRQHHQSA-N 1 0 381.318 2.952 20 0 GFADRO Brc1cccc(N2CC[C@H](C[NH2+][C@@H]3CCO[C@@]34CCOC4)C2)c1 ZINC000903076612 663772504 /nfs/dbraw/zinc/77/25/04/663772504.db2.gz SMYAJJRIJDVVRZ-ZTFGCOKTSA-N 1 0 381.314 2.813 20 0 GFADRO C[C@H]([NH2+]CCCc1cnn(C)c1)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000903087690 663772821 /nfs/dbraw/zinc/77/28/21/663772821.db2.gz GJKGEILSKTXBBG-LBPRGKRZSA-N 1 0 375.416 2.997 20 0 GFADRO C[C@@H]([NH2+][C@@H](C)c1cccc(S(=O)(=O)C(F)(F)F)c1)C(=O)NC(C)(C)C ZINC000903083604 663772834 /nfs/dbraw/zinc/77/28/34/663772834.db2.gz KAOVXTRLVOGJPC-WDEREUQCSA-N 1 0 380.432 2.934 20 0 GFADRO CCNC(=O)C(C)(C)C[NH2+][C@H](C)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000903139485 663775383 /nfs/dbraw/zinc/77/53/83/663775383.db2.gz LLBXCKGOYCPDRF-LLVKDONJSA-N 1 0 380.432 2.793 20 0 GFADRO CCO[C@@H]1COCC[C@H]1[NH2+][C@@H](C)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000903152696 663776076 /nfs/dbraw/zinc/77/60/76/663776076.db2.gz PMNYSVFUNNOQMY-NILFDRSVSA-N 1 0 381.416 2.825 20 0 GFADRO C[C@H]([NH2+]C[C@@H]1CCCCS1(=O)=O)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000903147464 663776118 /nfs/dbraw/zinc/77/61/18/663776118.db2.gz ILEUNHZYDUDEJH-FZMZJTMJSA-N 1 0 399.456 2.598 20 0 GFADRO Brc1ccc(-n2cc(C[NH2+][C@@H]3CCO[C@@]34CCOC4)cn2)cc1 ZINC000903160757 663776485 /nfs/dbraw/zinc/77/64/85/663776485.db2.gz MYNUJSAVLUUOSO-IAGOWNOFSA-N 1 0 378.270 2.672 20 0 GFADRO C[C@H]([NH2+]CCN1Cc2ccccc2OCC1=O)c1ccc(Br)nc1 ZINC000903180846 663777372 /nfs/dbraw/zinc/77/73/72/663777372.db2.gz KUUQIPPGZONNFE-ZDUSSCGKSA-N 1 0 390.281 2.916 20 0 GFADRO C[C@H]([NH2+]C[C@@H]1CCCC[C@@H]1NS(C)(=O)=O)c1nc(Br)cs1 ZINC000903233825 663779978 /nfs/dbraw/zinc/77/99/78/663779978.db2.gz JHTGESOTJSJIDJ-DCAQKATOSA-N 1 0 396.376 2.664 20 0 GFADRO CCNS(=O)(=O)c1cccc(C[NH2+][C@@H](C)c2ccc(Br)nc2)c1 ZINC000903233580 663780125 /nfs/dbraw/zinc/78/01/25/663780125.db2.gz IUAJBGQHFSLJTH-LBPRGKRZSA-N 1 0 398.326 2.993 20 0 GFADRO CC[C@H]([NH2+]C[C@]1(OC)CCS(=O)(=O)C1)c1cccc(Br)c1 ZINC000903369254 663783176 /nfs/dbraw/zinc/78/31/76/663783176.db2.gz VVNURASDVSZNMP-LSDHHAIUSA-N 1 0 376.316 2.694 20 0 GFADRO CO[C@@]1(C[NH2+][C@@H](C)CCc2cccc(C(F)(F)F)c2)CCS(=O)(=O)C1 ZINC000903368935 663783198 /nfs/dbraw/zinc/78/31/98/663783198.db2.gz RXDGRYGGNLOCPX-XJKSGUPXSA-N 1 0 379.444 2.820 20 0 GFADRO O=c1cc(N2CC[C@@H]([NH2+][C@@H]3CCc4cc(Br)ccc43)C2)nc[nH]1 ZINC000903395005 663783655 /nfs/dbraw/zinc/78/36/55/663783655.db2.gz GKJIRKFLEMRXIU-UKRRQHHQSA-N 1 0 375.270 2.801 20 0 GFADRO O=c1ccn(CCC[NH2+][C@@H]2CCc3c2c(Br)ccc3F)c(=O)[nH]1 ZINC000903431950 663784575 /nfs/dbraw/zinc/78/45/75/663784575.db2.gz DFONPJCABIPJPP-CYBMUJFWSA-N 1 0 382.233 2.518 20 0 GFADRO O=c1[nH]ncc(N2CC[C@@H]([NH2+][C@H]3COCc4cccc(Cl)c43)C2)c1Cl ZINC000903436254 663784871 /nfs/dbraw/zinc/78/48/71/663784871.db2.gz VFAJBEBOWYXPLN-YPMHNXCESA-N 1 0 381.263 2.929 20 0 GFADRO Cc1cc2ncc([C@H](C)[NH2+][C@H]3CCc4ncc(Br)n4C3)c(C)n2n1 ZINC000903478801 663785378 /nfs/dbraw/zinc/78/53/78/663785378.db2.gz NGBGDKTVADNIKN-AAEUAGOBSA-N 1 0 389.301 2.971 20 0 GFADRO CN(Cc1cc(Br)cs1)C(=O)CN[C@@H]1CC[NH2+]C12CCCC2 ZINC000903485136 663785630 /nfs/dbraw/zinc/78/56/30/663785630.db2.gz IXCUYMJCOOWVSP-CQSZACIVSA-N 1 0 386.359 2.733 20 0 GFADRO O=S(=O)(Cc1cccc(Cl)c1Br)NC[C@H]1CCC[NH2+]C1 ZINC000903511409 663786112 /nfs/dbraw/zinc/78/61/12/663786112.db2.gz RYVIIFKZPBQOOT-JTQLQIEISA-N 1 0 381.723 2.522 20 0 GFADRO C[C@H]1CN(S(=O)(=O)Cc2cccc(Cl)c2Br)CC[C@H]1[NH3+] ZINC000903513458 663786286 /nfs/dbraw/zinc/78/62/86/663786286.db2.gz NWOKETCOOPHXJS-JOYOIKCWSA-N 1 0 381.723 2.601 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCCN(S(=O)(=O)Cc2cccc(Cl)c2Br)C1 ZINC000903513966 663786388 /nfs/dbraw/zinc/78/63/88/663786388.db2.gz XKISRQLLRYCPNP-WDEREUQCSA-N 1 0 395.750 2.992 20 0 GFADRO [NH3+][C@@H]1CN(Cc2nc(-c3ccc(Br)s3)no2)C[C@H]1C(F)(F)F ZINC000903517720 663786785 /nfs/dbraw/zinc/78/67/85/663786785.db2.gz IUFWRLCRWSLOAN-RNFRBKRXSA-N 1 0 397.220 2.882 20 0 GFADRO O=S(=O)(Cc1cccc(Cl)c1Br)N[C@@H]1CC12CC[NH2+]CC2 ZINC000903518267 663786908 /nfs/dbraw/zinc/78/69/08/663786908.db2.gz IUEMRNRDNCFPMH-GFCCVEGCSA-N 1 0 393.734 2.664 20 0 GFADRO COc1ccc(Br)c(S(=O)(=O)N(C)CCCCCC[NH3+])c1F ZINC000903526165 663787417 /nfs/dbraw/zinc/78/74/17/663787417.db2.gz AVJWLZRPXSMMCM-UHFFFAOYSA-N 1 0 397.310 2.736 20 0 GFADRO COc1ccc(Cl)cc1NC(=O)[C@H](C)N1CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000903535277 663787572 /nfs/dbraw/zinc/78/75/72/663787572.db2.gz XBYFFYZERSZYAC-WCQGTBRESA-N 1 0 379.810 2.887 20 0 GFADRO COc1ccc(Cl)cc1NC(=O)[C@H](C)N1CC[C@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903535278 663787610 /nfs/dbraw/zinc/78/76/10/663787610.db2.gz XBYFFYZERSZYAC-ZMLRMANQSA-N 1 0 379.810 2.887 20 0 GFADRO O=S(=O)(Cc1ccc(Cl)c(Cl)c1)N[C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903545202 663788123 /nfs/dbraw/zinc/78/81/23/663788123.db2.gz CYGPMJHZEBGAHO-ZDUSSCGKSA-N 1 0 393.336 2.572 20 0 GFADRO [NH3+]CC1([C@@H]2CCCCN2S(=O)(=O)c2c[nH]c3nccc(Cl)c23)CCC1 ZINC000903547521 663788216 /nfs/dbraw/zinc/78/82/16/663788216.db2.gz RUEJUNUBGDJHKV-AWEZNQCLSA-N 1 0 382.917 2.889 20 0 GFADRO NC(=O)[C@@H](c1ccc(Br)cc1)N1C[C@H](C[NH3+])Cc2cc(F)ccc21 ZINC000903567911 663788918 /nfs/dbraw/zinc/78/89/18/663788918.db2.gz GAFOULYWQGERMM-APPDUMDISA-N 1 0 392.272 2.752 20 0 GFADRO CCOC(=O)c1cc(Br)ccc1NC(=O)COC1CC[NH+](C)CC1 ZINC000903567192 663788923 /nfs/dbraw/zinc/78/89/23/663788923.db2.gz AHQOCWSBMIQCQB-UHFFFAOYSA-N 1 0 399.285 2.675 20 0 GFADRO CCc1ccc(S(=O)(=O)N[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)s1 ZINC000903572706 663789300 /nfs/dbraw/zinc/78/93/00/663789300.db2.gz CIGDXRXVMVOSNR-MAUKXSAKSA-N 1 0 378.519 2.845 20 0 GFADRO COc1ccc(C(C)(C)C)cc1S(=O)(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903573208 663789495 /nfs/dbraw/zinc/78/94/95/663789495.db2.gz RAIVWTWPDHKEOP-VXGBXAGGSA-N 1 0 380.432 2.503 20 0 GFADRO [NH3+][C@@H]1CN(S(=O)(=O)c2csnc2-c2ccccc2)CC[C@H]1C(F)(F)F ZINC000903581602 663790455 /nfs/dbraw/zinc/79/04/55/663790455.db2.gz NFLUWVFNOHQMPS-VXGBXAGGSA-N 1 0 391.440 2.710 20 0 GFADRO Brc1cccc([C@@H]2CN(C[C@@H]3C[C@]4(CC[NH2+]C4)CO3)CCO2)c1 ZINC000903726477 663805136 /nfs/dbraw/zinc/80/51/36/663805136.db2.gz MBKZOKSMPVUGEU-BZSNNMDCSA-N 1 0 381.314 2.591 20 0 GFADRO COCC[C@H]1C[NH2+]CCN1CC(=O)Nc1c(Cl)cc(Cl)cc1Cl ZINC000903831911 663807960 /nfs/dbraw/zinc/80/79/60/663807960.db2.gz NPOXPURPIXRBND-NSHDSACASA-N 1 0 380.703 2.896 20 0 GFADRO COc1ccc(Br)cc1CN(C)Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903878188 663809800 /nfs/dbraw/zinc/80/98/00/663809800.db2.gz SGNZKYQXDQFIJD-HNNXBMFYSA-N 1 0 394.317 2.606 20 0 GFADRO CN(Cc1cnnn1[C@@H]1CCC[NH2+]C1)Cc1ccc(Br)c(F)c1 ZINC000903912896 663811254 /nfs/dbraw/zinc/81/12/54/663811254.db2.gz JSIAJMFDEKLNKS-CYBMUJFWSA-N 1 0 382.281 2.736 20 0 GFADRO [NH3+][C@H]1CN(Cc2cnc3ccc(Br)cn23)CC[C@H]1C(F)(F)F ZINC000903983789 663815201 /nfs/dbraw/zinc/81/52/01/663815201.db2.gz LWBHFFNSAHLQDS-NEPJUHHUSA-N 1 0 377.208 2.808 20 0 GFADRO C[NH2+]CCCCc1nc(Cc2cc(Br)c3c(c2)OCCO3)no1 ZINC000904103504 663824507 /nfs/dbraw/zinc/82/45/07/663824507.db2.gz YLYHTDYMZFQZMD-UHFFFAOYSA-N 1 0 382.258 2.736 20 0 GFADRO COc1cc(Br)cc(C)c1NC(=O)N(C)C1(C[NH3+])CCOCC1 ZINC000904308319 663830511 /nfs/dbraw/zinc/83/05/11/663830511.db2.gz ODZWCFDHWGJBMN-UHFFFAOYSA-N 1 0 386.290 2.738 20 0 GFADRO Cc1ccc(I)cc1NC(=O)N1CCC[C@@]12CC[NH2+]C2 ZINC000904425096 663833683 /nfs/dbraw/zinc/83/36/83/663833683.db2.gz YFCPHHQIHNNMQZ-HNNXBMFYSA-N 1 0 385.249 2.959 20 0 GFADRO C[C@H]1C[C@H](CN2CCn3c(c(Br)nc3C(F)(F)F)C2)CC[NH2+]1 ZINC000904469021 663835297 /nfs/dbraw/zinc/83/52/97/663835297.db2.gz HZZCNUDPYJVFHK-VHSXEESVSA-N 1 0 381.240 2.868 20 0 GFADRO Cn1c(Cl)cnc1-c1csc(NC(=O)NC2(C3CC[NH2+]CC3)CC2)n1 ZINC000904522100 663836649 /nfs/dbraw/zinc/83/66/49/663836649.db2.gz RZZNGBNNIXDDAW-UHFFFAOYSA-N 1 0 380.905 2.851 20 0 GFADRO COCCOc1ccc(NC(=O)N2CCC[C@H](C[NH3+])C2)cc1Br ZINC000904551533 663837981 /nfs/dbraw/zinc/83/79/81/663837981.db2.gz MXUXSTZKMYDOCH-GFCCVEGCSA-N 1 0 386.290 2.677 20 0 GFADRO COCCOc1ccc(NC(=O)N[C@@H]2CCCC[C@H]2[NH3+])cc1Br ZINC000904551970 663838168 /nfs/dbraw/zinc/83/81/68/663838168.db2.gz QJZMCMFUPJFQHU-ZIAGYGMSSA-N 1 0 386.290 2.866 20 0 GFADRO COC(=O)c1cc(NC(=O)NC[C@H]2C[NH2+]CCC2(F)F)cc(F)c1Cl ZINC000904565645 663838487 /nfs/dbraw/zinc/83/84/87/663838487.db2.gz AQXUPCPPQDYULQ-MRVPVSSYSA-N 1 0 379.766 2.632 20 0 GFADRO Brc1cc2c(cc1Cc1noc([C@@H]3C[C@@H]4CC[C@H]3[NH2+]4)n1)OCO2 ZINC000904666822 663839819 /nfs/dbraw/zinc/83/98/19/663839819.db2.gz VAVXRDLSGWWQJW-HOSYDEDBSA-N 1 0 378.226 2.760 20 0 GFADRO O=C(Cc1noc([C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)n1)Nc1ccccc1Br ZINC000904688452 663841082 /nfs/dbraw/zinc/84/10/82/663841082.db2.gz BKVOHCPLNVKYPA-HOSYDEDBSA-N 1 0 377.242 2.621 20 0 GFADRO COc1nc(C)c(Br)cc1-c1noc(C2([C@@H](C)[NH3+])CCOCC2)n1 ZINC000904708383 663841631 /nfs/dbraw/zinc/84/16/31/663841631.db2.gz OBMDXVNCOAHTNI-SNVBAGLBSA-N 1 0 397.273 2.607 20 0 GFADRO CC(C)(C)[C@@H]([NH3+])Cc1nc(CNC(=O)c2ccc(Br)cc2)no1 ZINC000904711900 663841800 /nfs/dbraw/zinc/84/18/00/663841800.db2.gz BNOMNCZOOZLHER-LBPRGKRZSA-N 1 0 381.274 2.678 20 0 GFADRO [NH3+][C@@H]1CCC[C@H](c2nc(CNC(=O)c3ccc(Br)cc3)no2)C1 ZINC000904712694 663841829 /nfs/dbraw/zinc/84/18/29/663841829.db2.gz HTOPZCZLGYUMJI-WCQYABFASA-N 1 0 379.258 2.747 20 0 GFADRO CON1CC[C@H]([NH2+][C@@H](Cc2ccccn2)c2ccc(Br)cc2)C1=O ZINC000905004479 663849250 /nfs/dbraw/zinc/84/92/50/663849250.db2.gz MGZXIFBLYBZVID-IRXDYDNUSA-N 1 0 390.281 2.880 20 0 GFADRO COc1cc(Br)c(C[NH2+]C[C@H](O)CCC2(O)CCC2)cc1OC ZINC000905087200 663852107 /nfs/dbraw/zinc/85/21/07/663852107.db2.gz FFMRKLSAMUUVAI-CYBMUJFWSA-N 1 0 388.302 2.612 20 0 GFADRO OCC1(C[C@H](O)C[NH2+][C@@H]2CCN(c3ccc(Br)cc3)C2)CCCC1 ZINC000905095887 663852487 /nfs/dbraw/zinc/85/24/87/663852487.db2.gz HFLWULPJSDLDMD-AEFFLSMTSA-N 1 0 397.357 2.921 20 0 GFADRO CON(C)C(=O)[C@H](CCSC)[NH2+]C[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC000905163618 663856031 /nfs/dbraw/zinc/85/60/31/663856031.db2.gz AVJYTZVZEGBILK-KBPBESRZSA-N 1 0 381.325 2.758 20 0 GFADRO CC(C)(C)NS(=O)(=O)C1([C@H](O)C[NH2+][C@@H]2CCCc3sccc32)CCC1 ZINC000905216694 663859675 /nfs/dbraw/zinc/85/96/75/663859675.db2.gz TYCOROAHROFLSN-GDBMZVCRSA-N 1 0 386.583 2.717 20 0 GFADRO CC(C)[NH+]1CCN(CCC[NH2+][C@@H](C(=O)[O-])c2ccc(Br)cc2)CC1 ZINC000905376541 663868502 /nfs/dbraw/zinc/86/85/02/663868502.db2.gz VGFUWDLCMSSNSW-QGZVFWFLSA-N 1 0 398.345 2.581 20 0 GFADRO O=C1NCCN1c1ccc(C[NH2+]C[C@H](O)c2ccccc2Br)cc1 ZINC000905418848 663870593 /nfs/dbraw/zinc/87/05/93/663870593.db2.gz LWHMZAPXCUOXPV-KRWDZBQOSA-N 1 0 390.281 2.802 20 0 GFADRO O=C1NCCN1c1ccc(C[NH2+]C[C@H](O)c2cccc(Br)c2)cc1 ZINC000905421730 663870799 /nfs/dbraw/zinc/87/07/99/663870799.db2.gz ZMVKQBINHQGGHU-KRWDZBQOSA-N 1 0 390.281 2.802 20 0 GFADRO COC(=O)C1CC2(C1)C[C@H]([NH2+]C[C@H](O)c1cccc(Br)c1)CCO2 ZINC000905488108 663873554 /nfs/dbraw/zinc/87/35/54/663873554.db2.gz BEACGUJWGLKEIS-FVWRDLLJSA-N 1 0 398.297 2.573 20 0 GFADRO O[C@@H](C[NH2+]Cc1cc(Br)ccc1Cl)COC1CCOCC1 ZINC000905525816 663876366 /nfs/dbraw/zinc/87/63/66/663876366.db2.gz QXSVSVONGYONJL-ZDUSSCGKSA-N 1 0 378.694 2.749 20 0 GFADRO CS(=O)(=O)c1ccccc1CC[NH2+]C[C@H](O)c1ccc(Br)cc1 ZINC000905555678 663878284 /nfs/dbraw/zinc/87/82/84/663878284.db2.gz JXKFHWCTGIBFAF-INIZCTEOSA-N 1 0 398.322 2.718 20 0 GFADRO CCS(=O)(=O)c1ccccc1CC[NH2+]C[C@](C)(O)C(F)(F)C(F)(F)F ZINC000905562678 663878669 /nfs/dbraw/zinc/87/86/69/663878669.db2.gz XZTHACABFQGLIX-ZDUSSCGKSA-N 1 0 389.386 2.561 20 0 GFADRO O[C@H](CC[C@@H](O)c1ccccc1)C[NH2+]CC1(n2cc(Br)cn2)CC1 ZINC000905587334 663880103 /nfs/dbraw/zinc/88/01/03/663880103.db2.gz OKODHLGOMNPNCY-IAGOWNOFSA-N 1 0 394.313 2.599 20 0 GFADRO O[C@@H](C[NH2+]C[C@@H]1CCN1C1CCOCC1)COc1cc(Cl)cc(Cl)c1 ZINC000905619433 663881693 /nfs/dbraw/zinc/88/16/93/663881693.db2.gz MTLGQICOTYEMJK-IRXDYDNUSA-N 1 0 389.323 2.576 20 0 GFADRO OC[C@@H]1COc2ccccc2[C@@H]1[NH2+]C[C@H](O)c1cccc(Br)c1 ZINC000905666772 663884796 /nfs/dbraw/zinc/88/47/96/663884796.db2.gz LIKVSTUVDWZZBM-RPVQJOFSSA-N 1 0 378.266 2.814 20 0 GFADRO COC(=O)c1cc2n(n1)CCC[C@@H]2[NH2+]C[C@H](O)c1ccc(Br)cc1 ZINC000905669771 663884932 /nfs/dbraw/zinc/88/49/32/663884932.db2.gz WWOCVTKTTVALNG-BBRMVZONSA-N 1 0 394.269 2.590 20 0 GFADRO Cn1cc([C@@]2(C[NH2+]C[C@H](O)c3cccc(Br)c3)CCCO2)cn1 ZINC000905688042 663886321 /nfs/dbraw/zinc/88/63/21/663886321.db2.gz SKWFJCRGXPWQHP-IRXDYDNUSA-N 1 0 380.286 2.512 20 0 GFADRO CCOC(=O)c1cn(C[C@@H]2C[NH2+]C[C@H]2C)c2cc(Br)ccc2c1=O ZINC000905731454 663889384 /nfs/dbraw/zinc/88/93/84/663889384.db2.gz LMCPLCQLMLCVAY-NEPJUHHUSA-N 1 0 393.281 2.796 20 0 GFADRO C[NH+](C)[C@@H]1CCc2ccccc2N(C(=O)c2ncc(Br)cn2)C1 ZINC000906031946 663911807 /nfs/dbraw/zinc/91/18/07/663911807.db2.gz OYWOBFQUAHXOBQ-CQSZACIVSA-N 1 0 375.270 2.762 20 0 GFADRO CCOc1ccc(Br)cc1NC(=O)C1(n2cccn2)CC[NH2+]CC1 ZINC000906217289 663932444 /nfs/dbraw/zinc/93/24/44/663932444.db2.gz QSDWKNNPADKMDZ-UHFFFAOYSA-N 1 0 393.285 2.762 20 0 GFADRO CC(C)(NC(=O)C1(n2cccn2)CC[NH2+]CC1)c1ccc(Br)cc1 ZINC000906217789 663932468 /nfs/dbraw/zinc/93/24/68/663932468.db2.gz VXWQPANEEMJZSG-UHFFFAOYSA-N 1 0 391.313 2.776 20 0 GFADRO CC[N@@H+]1CC[C@@H](CNC(=O)c2ccc(Cn3cc(Br)cn3)s2)C1 ZINC000906361233 663941749 /nfs/dbraw/zinc/94/17/49/663941749.db2.gz DOGPWANBTJKROR-LBPRGKRZSA-N 1 0 397.342 2.827 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cccn3ncc(Br)c23)[C@@H](C)C1 ZINC000906795055 663971865 /nfs/dbraw/zinc/97/18/65/663971865.db2.gz ZREQSAPPJUTHIT-SWLSCSKDSA-N 1 0 379.302 2.899 20 0 GFADRO O=S(=O)(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1c[nH]c2cc(Br)ccc21 ZINC000906846928 663976339 /nfs/dbraw/zinc/97/63/39/663976339.db2.gz VTYMTMBTKNIOSD-STQMWFEESA-N 1 0 398.326 2.836 20 0 GFADRO CC(C)Nc1ccc(Br)cc1NC(=O)C1CN(C)CC[N@H+](C)C1 ZINC000906870858 663978069 /nfs/dbraw/zinc/97/80/69/663978069.db2.gz NRJFGFMINRNKOW-UHFFFAOYSA-N 1 0 383.334 2.701 20 0 GFADRO CO[C@H](C(=O)NC[C@]1([NH+](C)C)CCSC1)c1ccc(Br)s1 ZINC000906900415 663980329 /nfs/dbraw/zinc/98/03/29/663980329.db2.gz HGELUPNLVQLZRF-GXTWGEPZSA-N 1 0 393.372 2.752 20 0 GFADRO CCO[C@@H](CC[NH+](C)C)CNC(=O)[C@@H](OC)c1ccc(Br)s1 ZINC000906941439 663984764 /nfs/dbraw/zinc/98/47/64/663984764.db2.gz ILEKYAJACLBXSX-FZMZJTMJSA-N 1 0 393.347 2.671 20 0 GFADRO C[C@H]1C[C@@H](NS(=O)(=O)c2c[nH]c3c2cccc3Br)CC[N@@H+]1C ZINC000906988588 663989296 /nfs/dbraw/zinc/98/92/96/663989296.db2.gz QQGMNYBSKRSKFX-QWRGUYRKSA-N 1 0 386.315 2.691 20 0 GFADRO CCOC[C@H](C)CS(=O)(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000907346437 664026187 /nfs/dbraw/zinc/02/61/87/664026187.db2.gz MJHFIZFNSWVJTI-RDJZCZTQSA-N 1 0 388.599 2.813 20 0 GFADRO O=C(C[C@H](O)C(Cl)(Cl)Cl)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000907862305 664067216 /nfs/dbraw/zinc/06/72/16/664067216.db2.gz PUYNGGBAOZMPHV-KGLIPLIRSA-N 1 0 379.715 2.746 20 0 GFADRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1cc(Br)cn(C2CC2)c1=O ZINC000908190077 664090775 /nfs/dbraw/zinc/09/07/75/664090775.db2.gz NVOQYUCTAIDXBK-MLGOLLRUSA-N 1 0 394.313 2.645 20 0 GFADRO O=C(NCCCS(=O)(=O)c1ccc(Cl)cc1)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000908456540 664108268 /nfs/dbraw/zinc/10/82/68/664108268.db2.gz GQMBBMZNHBEIEJ-WBVHZDCISA-N 1 0 384.929 2.637 20 0 GFADRO CC(C)[NH2+]C1(CO)CCN(C(=O)c2cccnc2SC(F)(F)F)CC1 ZINC000908595573 664116102 /nfs/dbraw/zinc/11/61/02/664116102.db2.gz QGRBNHNACOARMX-UHFFFAOYSA-N 1 0 377.432 2.659 20 0 GFADRO CC(C)[NH2+]C1(CO)CCN(C(=O)c2ccc(Br)c(F)c2F)CC1 ZINC000908610902 664117776 /nfs/dbraw/zinc/11/77/76/664117776.db2.gz USRFLOPOFJELSU-UHFFFAOYSA-N 1 0 391.256 2.692 20 0 GFADRO C[C@H](NC(=O)C[C@@]1(O)CCC[N@H+](C)C1)c1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC000908875879 664133340 /nfs/dbraw/zinc/13/33/40/664133340.db2.gz KUHHEZZAIXNMOF-BTDLBPIBSA-N 1 0 385.295 2.894 20 0 GFADRO Cc1csc(NCCNC(=O)C2CCN(Cc3csc(C)n3)CC2)n1 ZINC000909465649 664159825 /nfs/dbraw/zinc/15/98/25/664159825.db2.gz RYAJAWYJKRRFTQ-UHFFFAOYSA-N 1 0 379.555 2.657 20 0 GFADRO Cc1cc(C[NH+](C)C)ccc1NC(=O)CNC(=O)c1ccc(Br)o1 ZINC000909618950 664165300 /nfs/dbraw/zinc/16/53/00/664165300.db2.gz CEPPMMPKKNRAAD-UHFFFAOYSA-N 1 0 394.269 2.781 20 0 GFADRO COc1cc(NC(=O)C[C@@H](O)C(Cl)(Cl)Cl)ccc1OCC[NH+](C)C ZINC000910935608 664231446 /nfs/dbraw/zinc/23/14/46/664231446.db2.gz LFGHXUHZUSDITR-CYBMUJFWSA-N 1 0 399.702 2.695 20 0 GFADRO C[C@@H](NC(=O)C(=O)N1CC[C@@H](CC[NH3+])C1)c1cc(F)c(Cl)cc1Cl ZINC000910963718 664231992 /nfs/dbraw/zinc/23/19/92/664231992.db2.gz URKAVHUZZLDATR-NXEZZACHSA-N 1 0 376.259 2.507 20 0 GFADRO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC000911442656 664245611 /nfs/dbraw/zinc/24/56/11/664245611.db2.gz NCMIZHMIFDXDMZ-CRAIPNDOSA-N 1 0 384.307 2.600 20 0 GFADRO C[NH2+]C[C@@H]1CCCN(C(=O)c2cnn(Cc3ccccc3)c2Br)C1 ZINC000911633525 664250967 /nfs/dbraw/zinc/25/09/67/664250967.db2.gz HFUVHVZQEOCFOL-HNNXBMFYSA-N 1 0 391.313 2.766 20 0 GFADRO O=C(N[C@H]1CCC[NH2+]C1)c1c(Cl)ccc(I)c1F ZINC000911672147 664252485 /nfs/dbraw/zinc/25/24/85/664252485.db2.gz AVCUTCDSODRKFV-ZETCQYMHSA-N 1 0 382.604 2.566 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)c1cc(Br)c(Br)[nH]1 ZINC000911686236 664253029 /nfs/dbraw/zinc/25/30/29/664253029.db2.gz YUZJFXMIDKWURY-XVKPBYJWSA-N 1 0 379.096 2.882 20 0 GFADRO C[C@@H]([NH3+])C1CCN(C(=O)c2cnn(Cc3ccccc3)c2Br)CC1 ZINC000911753340 664255368 /nfs/dbraw/zinc/25/53/68/664255368.db2.gz NGDGMPITJSMQEW-CYBMUJFWSA-N 1 0 391.313 2.893 20 0 GFADRO CC(C)c1ccc([C@@H]([NH3+])CNC(=O)c2cc(=O)n(C)cc2Br)cc1 ZINC000911764222 664255677 /nfs/dbraw/zinc/25/56/77/664255677.db2.gz LJRNTHALUCCDKU-INIZCTEOSA-N 1 0 392.297 2.701 20 0 GFADRO C[C@@](C[NH3+])(NC(=O)c1ccc(Cn2cc(Br)cn2)s1)C1CC1 ZINC000911801657 664256602 /nfs/dbraw/zinc/25/66/02/664256602.db2.gz FNCKVXIXTUEIGD-HNNXBMFYSA-N 1 0 383.315 2.613 20 0 GFADRO CC(C)C[C@@H](C[NH3+])NC(=O)c1cc(Br)cnc1Br ZINC000911818135 664256942 /nfs/dbraw/zinc/25/69/42/664256942.db2.gz HXYKFFJZDLDSJP-VIFPVBQESA-N 1 0 379.096 2.710 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)c2ccc(Cn3cc(Br)cn3)s2)C1 ZINC000911818682 664257211 /nfs/dbraw/zinc/25/72/11/664257211.db2.gz ARJVUMPPYHOXAH-RYUDHWBXSA-N 1 0 397.342 2.955 20 0 GFADRO CC(C)C[C@](C)(C[NH3+])NC(=O)C[C@H]1c2cccc(Br)c2NC1=O ZINC000911830031 664257710 /nfs/dbraw/zinc/25/77/10/664257710.db2.gz NRKZIOLQIZLRMI-YVEFUNNKSA-N 1 0 382.302 2.755 20 0 GFADRO CSc1cc(C(=O)N(CCO)C2CC[NH+](C)CC2)ccc1Br ZINC000911931796 664262225 /nfs/dbraw/zinc/26/22/25/664262225.db2.gz CLFMWNOZDCKNCD-UHFFFAOYSA-N 1 0 387.343 2.700 20 0 GFADRO C[NH+]1CCC(N(CCO)C(=O)c2csc(-c3cccc(Cl)c3)n2)CC1 ZINC000911935293 664262563 /nfs/dbraw/zinc/26/25/63/664262563.db2.gz OCPLQVAQZCVADV-UHFFFAOYSA-N 1 0 379.913 2.992 20 0 GFADRO C[C@@H](C(=O)N(CCO)C1CC[NH+](C)CC1)c1ccc(Br)s1 ZINC000911939255 664262849 /nfs/dbraw/zinc/26/28/49/664262849.db2.gz SLVQQYCAERMYDJ-LLVKDONJSA-N 1 0 375.332 2.529 20 0 GFADRO C[C@H](Sc1nc2ccccc2s1)C(=O)N(CCO)C1CC[NH+](C)CC1 ZINC000911941902 664262911 /nfs/dbraw/zinc/26/29/11/664262911.db2.gz XQZOFWBRPGPYGU-ZDUSSCGKSA-N 1 0 379.551 2.692 20 0 GFADRO [NH3+][C@H](CC(=O)NC[C@@H](O)c1ccccc1)Cc1ccc(Br)cc1 ZINC000911968453 664264251 /nfs/dbraw/zinc/26/42/51/664264251.db2.gz XJCVFFZKGDVTEB-DLBZAZTESA-N 1 0 377.282 2.559 20 0 GFADRO CSCC[C@H]([NH3+])CC(=O)Nc1nc(-c2ccc3c(c2)OCCO3)cs1 ZINC000911970854 664264257 /nfs/dbraw/zinc/26/42/57/664264257.db2.gz KDQPSSOVFITDNQ-LBPRGKRZSA-N 1 0 379.507 2.990 20 0 GFADRO COc1ccc(-c2csc(NC(=O)C[C@]3(O)CCC[NH2+]C3)n2)cc1Cl ZINC000912091618 664270101 /nfs/dbraw/zinc/27/01/01/664270101.db2.gz SMBZGZONDKPAIM-QGZVFWFLSA-N 1 0 381.885 2.915 20 0 GFADRO Cc1ccc(CC(=O)N2CCC(CO)([NH2+]CC(C)C)CC2)cc1Br ZINC000912589384 664294164 /nfs/dbraw/zinc/29/41/64/664294164.db2.gz UPFMYCUYKCKWDL-UHFFFAOYSA-N 1 0 397.357 2.899 20 0 GFADRO C[C@H](C[NH+](C)C)[C@@H]1CCCCN1C(=O)c1c(Br)nc2n1CCC2 ZINC000912807060 664303111 /nfs/dbraw/zinc/30/31/11/664303111.db2.gz XXBHQLQWZXLYSV-OLZOCXBDSA-N 1 0 383.334 2.784 20 0 GFADRO COc1nsc(CNC(=O)CCCC[NH+]2CCCC2)c1Br ZINC000912947070 664313625 /nfs/dbraw/zinc/31/36/25/664313625.db2.gz ZNAYJBGHHBKICK-UHFFFAOYSA-N 1 0 376.320 2.797 20 0 GFADRO C[C@@H]1CN(C(C)(C)C[NH2+]C[C@H](O)c2cccc(Br)c2)C[C@@H](C)O1 ZINC000913116966 664325481 /nfs/dbraw/zinc/32/54/81/664325481.db2.gz ROLHGDWEZNVBHH-CPUCHLNUSA-N 1 0 385.346 2.960 20 0 GFADRO C[N@@H+]1C[C@@]2(C)CN(C(=O)c3cc(Br)cc4nc[nH]c43)C[C@@]2(C)C1 ZINC000913278750 664330925 /nfs/dbraw/zinc/33/09/25/664330925.db2.gz KNKUXXVLRGTAQR-CALCHBBNSA-N 1 0 377.286 2.739 20 0 GFADRO C[NH+](C)C1(C)CCN(C(=O)c2cn(-c3ccccc3Br)nn2)CC1 ZINC000913400260 664334951 /nfs/dbraw/zinc/33/49/51/664334951.db2.gz TULFDOYDLDPGBS-UHFFFAOYSA-N 1 0 392.301 2.586 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)c(C)c1C(=O)NC12CC[NH+](CC1)C2 ZINC000913628547 664346787 /nfs/dbraw/zinc/34/67/87/664346787.db2.gz HYLMDXNKRYVJKW-UHFFFAOYSA-N 1 0 389.297 2.830 20 0 GFADRO C[NH+](C)CC1(O)CCN(C(=O)C2(c3cc(F)cc(Br)c3)CC2)CC1 ZINC000913676718 664348960 /nfs/dbraw/zinc/34/89/60/664348960.db2.gz IAXBHQOSYPOEPY-UHFFFAOYSA-N 1 0 399.304 2.535 20 0 GFADRO C[NH+](C)CC1(O)CCN(C(=O)c2cc(Cl)ccc2Br)CC1 ZINC000913681723 664349623 /nfs/dbraw/zinc/34/96/23/664349623.db2.gz WECQCQDZXMPEMH-UHFFFAOYSA-N 1 0 375.694 2.631 20 0 GFADRO C[NH+](C)C1(CNC(=O)NC2(c3ncc(Br)cn3)CCC2)CCCC1 ZINC000913874404 664362811 /nfs/dbraw/zinc/36/28/11/664362811.db2.gz HFXYSFLVLSUDDG-UHFFFAOYSA-N 1 0 396.333 2.792 20 0 GFADRO CN(Cc1ccccc1C(F)(F)F)S(=O)(=O)C[C@@]12CC[N@H+](C1)CCC2 ZINC000913886678 664363661 /nfs/dbraw/zinc/36/36/61/664363661.db2.gz IWXMMZRVRHRLOL-INIZCTEOSA-N 1 0 376.444 2.953 20 0 GFADRO CC[NH+]1CCC(CNS(=O)(=O)Cc2ccsc2Br)CC1 ZINC000913965584 664369172 /nfs/dbraw/zinc/36/91/72/664369172.db2.gz JSIVRTFKDPXSHL-UHFFFAOYSA-N 1 0 381.361 2.662 20 0 GFADRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)NCc1cnc(Br)cn1 ZINC000914098386 664376490 /nfs/dbraw/zinc/37/64/90/664376490.db2.gz BAMWUQUIMHSIHM-ZDUSSCGKSA-N 1 0 384.322 2.693 20 0 GFADRO CS[C@@H]1CN(S(=O)(=O)c2cscc2C(F)F)C[C@H]1[NH+]1CCCC1 ZINC000914391080 664405773 /nfs/dbraw/zinc/40/57/73/664405773.db2.gz QFWOVLRDKBAHIJ-VXGBXAGGSA-N 1 0 382.523 2.886 20 0 GFADRO C[C@H](CC[NH+](C)C)NC(=O)N1CCCC[C@@H]1c1ncc(Br)cn1 ZINC000915152559 664422213 /nfs/dbraw/zinc/42/22/13/664422213.db2.gz DKRWRINEOMJBDQ-TZMCWYRMSA-N 1 0 384.322 2.816 20 0 GFADRO CC[N@H+](CCNC(=O)N1CCC[C@@H]1c1ncc(Br)cn1)C1CC1 ZINC000916116937 664450737 /nfs/dbraw/zinc/45/07/37/664450737.db2.gz DSZJYAPGIUJLDY-CQSZACIVSA-N 1 0 382.306 2.570 20 0 GFADRO C[NH+](C)C1CCC(NS(=O)(=O)Cc2ccsc2Br)CC1 ZINC000916446553 664461080 /nfs/dbraw/zinc/46/10/80/664461080.db2.gz IOGXBXJFUCPVRU-UHFFFAOYSA-N 1 0 381.361 2.803 20 0 GFADRO COc1ccc(S(=O)(=O)N2C[C@@H]3CC[N@H+](C)C[C@@H]3C2)c(Cl)c1Cl ZINC000916664443 664468817 /nfs/dbraw/zinc/46/88/17/664468817.db2.gz XYPUCVMPLWATCD-WDEREUQCSA-N 1 0 379.309 2.574 20 0 GFADRO CS(=O)(=O)Cc1ccc(C[NH2+]C[C@H](O)c2cccc(Br)c2)cc1 ZINC000917016659 664475180 /nfs/dbraw/zinc/47/51/80/664475180.db2.gz GRXIDQDIQOXULP-KRWDZBQOSA-N 1 0 398.322 2.817 20 0 GFADRO COC1CC[NH+](C(C)(C)CNC(=O)N2CCS[C@H](C(F)(F)F)C2)CC1 ZINC000917419037 664482456 /nfs/dbraw/zinc/48/24/56/664482456.db2.gz GLUVRTAGFTXKOA-ZDUSSCGKSA-N 1 0 383.480 2.565 20 0 GFADRO COc1ccc(Br)cc1OS(=O)(=O)C[C@@]12CC[N@H+](C1)CCC2 ZINC000917873569 664491650 /nfs/dbraw/zinc/49/16/50/664491650.db2.gz POSFPUCQVSUKHJ-HNNXBMFYSA-N 1 0 390.299 2.652 20 0 GFADRO C[C@@H](NC(=O)NC[C@H]1C[N@H+](C)CCN1C)c1cc(Cl)cc(Cl)c1F ZINC000917959208 664493406 /nfs/dbraw/zinc/49/34/06/664493406.db2.gz BOUZFTUEDDPFOM-PWSUYJOCSA-N 1 0 377.291 2.739 20 0 GFADRO CC(C)([NH2+]CC(=O)N1CCC2(CC1)OCCO2)c1ccc(Br)cc1 ZINC000918187779 664496563 /nfs/dbraw/zinc/49/65/63/664496563.db2.gz GRLBBXPDVQZRTJ-UHFFFAOYSA-N 1 0 397.313 2.639 20 0 GFADRO O=C(COC(=O)[C@H]1CC1(Cl)Cl)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000918951996 664506888 /nfs/dbraw/zinc/50/68/88/664506888.db2.gz JQFAMFHXQYLEAZ-OAHLLOKOSA-N 1 0 385.291 2.636 20 0 GFADRO C[N@@H+]1CCCC[C@@H]1CCOC(=O)CNC(=O)c1ccc(Br)s1 ZINC000919490784 664513536 /nfs/dbraw/zinc/51/35/36/664513536.db2.gz PJKFCAUSIGPXJH-LLVKDONJSA-N 1 0 389.315 2.658 20 0 GFADRO CN1CC[NH+](CC2CCN(C(=O)/C=C/c3ccc(Br)o3)CC2)CC1 ZINC000919937030 664520024 /nfs/dbraw/zinc/52/00/24/664520024.db2.gz QOUAZGNLHFNZEP-HWKANZROSA-N 1 0 396.329 2.541 20 0 GFADRO O=C(c1sc(N2CCCC2)nc1Cl)N1CCN(c2cc[nH+]cc2)CC1 ZINC000920273917 664524070 /nfs/dbraw/zinc/52/40/70/664524070.db2.gz FVZOFTQPBCVFOG-UHFFFAOYSA-N 1 0 377.901 2.754 20 0 GFADRO COC(=O)c1nn(CN2CC[NH+](CCc3cccs3)CC2)c(C)c1Cl ZINC000921186663 664538738 /nfs/dbraw/zinc/53/87/38/664538738.db2.gz JCGLWLIIVAVBPO-UHFFFAOYSA-N 1 0 382.917 2.511 20 0 GFADRO C[NH+](C)CC[C@H](NS(=O)(=O)c1ccc(Br)cc1)c1cccnc1 ZINC000921480104 664550138 /nfs/dbraw/zinc/55/01/38/664550138.db2.gz ZFXMNIDPGSHJFB-INIZCTEOSA-N 1 0 398.326 2.815 20 0 GFADRO CCn1c(C[NH2+]CCCOCCOC)nc(Br)c1Br ZINC000921514287 664551646 /nfs/dbraw/zinc/55/16/46/664551646.db2.gz XUJYYODMNLWRDL-UHFFFAOYSA-N 1 0 399.127 2.571 20 0 GFADRO CCn1c(Br)c(Br)nc1CNC[C@H]1CC[N@H+](CC)C1 ZINC000921544622 664552841 /nfs/dbraw/zinc/55/28/41/664552841.db2.gz CCBRBTRSXKNXLZ-SNVBAGLBSA-N 1 0 394.155 2.859 20 0 GFADRO CC(C)(C)c1csc(C2CCN(S(=O)(=O)CCn3ccnc3)CC2)n1 ZINC000921546640 664553001 /nfs/dbraw/zinc/55/30/01/664553001.db2.gz OCTFNNSHIUPSBV-UHFFFAOYSA-N 1 0 382.555 2.847 20 0 GFADRO O=C(NCC[NH2+][C@@H]1CC[C@@H]2COCC[C@@H]2C1)c1ccc(Br)cc1 ZINC000921576919 664554915 /nfs/dbraw/zinc/55/49/15/664554915.db2.gz CQFSCSHKQAEWID-BFYDXBDKSA-N 1 0 381.314 2.974 20 0 GFADRO O=S1(=O)CCC[C@H]([NH2+]Cc2cc3c(cc(F)cc3Br)[nH]2)C1 ZINC000921751301 664566384 /nfs/dbraw/zinc/56/63/84/664566384.db2.gz GJBVUKSMYDEZOM-JTQLQIEISA-N 1 0 375.263 2.736 20 0 GFADRO C[N@@H+]1CCCC[C@@H]1CCOC(=O)CNC(=O)c1ccc(Br)cc1 ZINC000921832361 664571182 /nfs/dbraw/zinc/57/11/82/664571182.db2.gz KXOXZVNFIGMJTO-OAHLLOKOSA-N 1 0 383.286 2.597 20 0 GFADRO CCn1c(C[NH2+]CCC2(C)OCCO2)nc(Br)c1Br ZINC000921996469 664580882 /nfs/dbraw/zinc/58/08/82/664580882.db2.gz ZTWUZVQTCQQPRY-UHFFFAOYSA-N 1 0 397.111 2.671 20 0 GFADRO Cc1ccc(NCc2nc(Br)c[nH]2)cc1NC(=O)CC[NH+](C)C ZINC000922001303 664581043 /nfs/dbraw/zinc/58/10/43/664581043.db2.gz GLHHNHOIAZNBAR-UHFFFAOYSA-N 1 0 380.290 2.983 20 0 GFADRO Cc1cc(C[NH2+]C[C@H](CO)[C@@H]2CCOC2)c(C)cc1I ZINC000922088255 664585176 /nfs/dbraw/zinc/58/51/76/664585176.db2.gz ZXWQCIFWPJSUAQ-UKRRQHHQSA-N 1 0 389.277 2.643 20 0 GFADRO COC(=O)[C@@H](C)Oc1ccccc1C[NH2+]CCCn1cc(Br)cn1 ZINC000922131310 664587062 /nfs/dbraw/zinc/58/70/62/664587062.db2.gz MKYQPXYQBLAGQP-CYBMUJFWSA-N 1 0 396.285 2.766 20 0 GFADRO CCn1c(Br)c(Br)nc1CN[C@H]1CC[N@H+](C)[C@H]1C ZINC000922557135 664606872 /nfs/dbraw/zinc/60/68/72/664606872.db2.gz ZNWPPGZQCVCCNG-IUCAKERBSA-N 1 0 380.128 2.610 20 0 GFADRO CO[C@]1(C[NH2+]Cc2cn(-c3ccccc3Br)nn2)CCSC1 ZINC000922570842 664607279 /nfs/dbraw/zinc/60/72/79/664607279.db2.gz JYIRVWMSPJULLT-HNNXBMFYSA-N 1 0 383.315 2.642 20 0 GFADRO CO[C@]1(C[NH2+]CC2=Cc3cc(Cl)cc(Cl)c3OC2)CCS(=O)(=O)C1 ZINC000922614557 664608534 /nfs/dbraw/zinc/60/85/34/664608534.db2.gz FWXVPZDZGSKNQR-INIZCTEOSA-N 1 0 392.304 2.563 20 0 GFADRO CCS(=O)(=O)c1ccccc1CC[NH2+]Cc1cc(C(F)(F)F)nn1C ZINC000922684342 664610797 /nfs/dbraw/zinc/61/07/97/664610797.db2.gz NTYRZXREOMGGIM-UHFFFAOYSA-N 1 0 375.416 2.565 20 0 GFADRO CC(C)(C[NH2+]CC1=Cc2cc(Br)ccc2OC1)CS(C)(=O)=O ZINC000922736619 664612735 /nfs/dbraw/zinc/61/27/35/664612735.db2.gz BMXCNCSOAVWOAL-UHFFFAOYSA-N 1 0 388.327 2.885 20 0 GFADRO COc1ccc(C[NH2+]C[C@H]2CCC3(CCOCC3)O2)c(Br)c1O ZINC000922806844 664615166 /nfs/dbraw/zinc/61/51/66/664615166.db2.gz NQUVYAHFBLLMIU-CYBMUJFWSA-N 1 0 386.286 2.981 20 0 GFADRO CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]C[C@H]1CCC2(CCOCC2)O1 ZINC000922809132 664615309 /nfs/dbraw/zinc/61/53/09/664615309.db2.gz ZBVAJTDHGADWQI-OAHLLOKOSA-N 1 0 387.929 2.951 20 0 GFADRO NS(=O)(=O)c1ccsc1C(=O)Nc1ccc(C[NH+]2CCCCC2)cc1 ZINC000922829863 664615960 /nfs/dbraw/zinc/61/59/60/664615960.db2.gz KVFWNALLFDNBOP-UHFFFAOYSA-N 1 0 379.507 2.634 20 0 GFADRO Cc1nn(-c2cccc(Br)c2)cc1C[NH2+]CCO[C@@H]1CCOC1 ZINC000922937130 664619394 /nfs/dbraw/zinc/61/93/94/664619394.db2.gz UGJCBSWQVSWLGQ-QGZVFWFLSA-N 1 0 380.286 2.838 20 0 GFADRO COc1ccc(CNC[C@H]2CC[N@@H+]2C2CCOCC2)c(Br)c1O ZINC000922953438 664619870 /nfs/dbraw/zinc/61/98/70/664619870.db2.gz MNGDXQSVEUJASJ-CQSZACIVSA-N 1 0 385.302 2.506 20 0 GFADRO Cn1nnc2c1C[C@@H]([NH2+]Cc1cc(OC(F)F)ccc1Br)CC2 ZINC000922991636 664620416 /nfs/dbraw/zinc/62/04/16/664620416.db2.gz QMHVVICPUBDLJB-JTQLQIEISA-N 1 0 387.228 2.826 20 0 GFADRO Cn1nnc2c1C[C@H]([NH2+]Cc1nc3ccc(Br)cc3s1)CC2 ZINC000922993781 664620572 /nfs/dbraw/zinc/62/05/72/664620572.db2.gz LMIHHOVIYWFCNO-SNVBAGLBSA-N 1 0 378.299 2.834 20 0 GFADRO Cn1nnc2c1C[C@H]([NH2+]Cc1cccc(Br)c1OC(F)F)CC2 ZINC000922995384 664620583 /nfs/dbraw/zinc/62/05/83/664620583.db2.gz XKNUHQMGADVUBZ-SNVBAGLBSA-N 1 0 387.228 2.826 20 0 GFADRO CC(C)C[N@H+](C)CCCNC(=O)NC1(c2ncc(Br)cn2)CCC1 ZINC000923060213 664621829 /nfs/dbraw/zinc/62/18/29/664621829.db2.gz PWNBEJGODRKOSS-UHFFFAOYSA-N 1 0 398.349 2.895 20 0 GFADRO COC(=O)c1cc(Br)c(CN2CCC[C@@H]3[NH2+]CC[C@H]32)cc1OC ZINC000923415581 664630110 /nfs/dbraw/zinc/63/01/10/664630110.db2.gz GRRAYNAIWNLMKZ-LSDHHAIUSA-N 1 0 383.286 2.571 20 0 GFADRO [NH3+]C[C@H]1CN(S(=O)(=O)c2cscc2C(F)F)CC[C@H]1C(F)(F)F ZINC000923660972 664635243 /nfs/dbraw/zinc/63/52/43/664635243.db2.gz HCPZXGQEUAEBMF-IONNQARKSA-N 1 0 378.388 2.834 20 0 GFADRO [NH3+]C[C@H]1CC2(CO1)CCN(S(=O)(=O)c1cc(Cl)cc(Cl)c1)CC2 ZINC000923686963 664635696 /nfs/dbraw/zinc/63/56/96/664635696.db2.gz RNAGNKQMIGUVCK-CYBMUJFWSA-N 1 0 379.309 2.512 20 0 GFADRO [NH3+]C[C@@H]1CC2(CO1)CCN(S(=O)(=O)c1c(Cl)cccc1Cl)CC2 ZINC000923687411 664635860 /nfs/dbraw/zinc/63/58/60/664635860.db2.gz XFBYWKMFJUZMJF-NSHDSACASA-N 1 0 379.309 2.512 20 0 GFADRO [NH3+]CC[C@@H]1CCN(S(=O)(=O)Cc2cc(Cl)ccc2Br)C1 ZINC000923698944 664636350 /nfs/dbraw/zinc/63/63/50/664636350.db2.gz IOHSKWSSJVUMDE-SNVBAGLBSA-N 1 0 381.723 2.603 20 0 GFADRO Cc1c(Br)cccc1CS(=O)(=O)N1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923698551 664636354 /nfs/dbraw/zinc/63/63/54/664636354.db2.gz DLLGUYPPJHVQPD-WCQYABFASA-N 1 0 375.332 2.504 20 0 GFADRO C[NH+](C)CCOc1ccc(-c2noc(-c3ncc(Br)cn3)n2)cc1 ZINC000923823151 664638579 /nfs/dbraw/zinc/63/85/79/664638579.db2.gz NWGUGYBQJWNQHS-UHFFFAOYSA-N 1 0 390.241 2.897 20 0 GFADRO CN(Cc1ncc(Br)cn1)C(=O)NC1CCC(C)([NH+](C)C)CC1 ZINC000923900772 664639488 /nfs/dbraw/zinc/63/94/88/664639488.db2.gz IGFUAPVVEVGQFA-UHFFFAOYSA-N 1 0 384.322 2.643 20 0 GFADRO C[NH+](C)CC[C@@H](NC(=O)NCc1ncc(Br)s1)c1cccnc1 ZINC000923947396 664640731 /nfs/dbraw/zinc/64/07/31/664640731.db2.gz UNZDXKFYRAIEDE-GFCCVEGCSA-N 1 0 398.330 2.793 20 0 GFADRO COc1cc(-c2noc([C@H]3C[N@@H+]4CCC[C@@H]4CO3)n2)cc(Br)c1O ZINC000924009435 664644350 /nfs/dbraw/zinc/64/43/50/664644350.db2.gz XICMTLRPVWBOFB-ZWNOBZJWSA-N 1 0 396.241 2.749 20 0 GFADRO C[NH+]1CCC(N2C(=O)N[C@H](c3ccc(Br)c(Cl)c3)C2=O)CC1 ZINC000924436214 664655334 /nfs/dbraw/zinc/65/53/34/664655334.db2.gz NJJPVNPCGWXDAX-CYBMUJFWSA-N 1 0 386.677 2.790 20 0 GFADRO C[NH+](C)CCN(Cc1ccsc1)C(=O)NC[C@@H]1CC[C@H](C(F)(F)F)O1 ZINC000924520706 664656815 /nfs/dbraw/zinc/65/68/15/664656815.db2.gz UJYOUXHGFVJIFL-UONOGXRCSA-N 1 0 379.448 2.931 20 0 GFADRO C[C@H](NC[C@H](O)C[N@@H+]1CCc2ccccc2C1)c1cccc(Br)n1 ZINC000924641749 664659240 /nfs/dbraw/zinc/65/92/40/664659240.db2.gz GMTYERODEUKDHW-YOEHRIQHSA-N 1 0 390.325 2.914 20 0 GFADRO CSC[C@@H]1NC(=O)N(C[C@@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)C1=O ZINC000924768853 664661374 /nfs/dbraw/zinc/66/13/74/664661374.db2.gz HUWCGGWYKBCIJB-STQMWFEESA-N 1 0 375.416 2.592 20 0 GFADRO O=C(N[C@@H]1CCC[N@@H+]2CCSC[C@H]12)N1CC[C@]2(CC(F)(F)C2(F)F)C1 ZINC000925169116 664667865 /nfs/dbraw/zinc/66/78/65/664667865.db2.gz IZEXLEGJIUUOFF-BZPMIXESSA-N 1 0 381.439 2.642 20 0 GFADRO Cc1csc(C[C@@H]2CCN(C(=O)N[C@@H]3CCC[N@@H+]4CCSC[C@H]34)C2)n1 ZINC000925170958 664667932 /nfs/dbraw/zinc/66/79/32/664667932.db2.gz SSTJWXZRAGBRKW-ARFHVFGLSA-N 1 0 380.583 2.605 20 0 GFADRO Cc1csc(C[C@@H]2CCN(C(=O)N[C@H]3CCC[N@@H+]4CCSC[C@H]34)C2)n1 ZINC000925170960 664667943 /nfs/dbraw/zinc/66/79/43/664667943.db2.gz SSTJWXZRAGBRKW-HRCADAONSA-N 1 0 380.583 2.605 20 0 GFADRO O=C(N[C@H]1CCC[N@@H+]2CCSC[C@@H]12)N1CCC(Cc2nccs2)CC1 ZINC000925172287 664667952 /nfs/dbraw/zinc/66/79/52/664667952.db2.gz SETBAPIAPKZLNO-HOTGVXAUSA-N 1 0 380.583 2.687 20 0 GFADRO C[C@@H]([NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1)c1ncc(C(F)(F)F)cc1Cl ZINC000925623418 664673744 /nfs/dbraw/zinc/67/37/44/664673744.db2.gz QNLCCJSXCZYALN-ZJUUUORDSA-N 1 0 385.839 2.686 20 0 GFADRO Cc1cc(OCCC[C@H](C)[NH2+]CC[C@H]2CNCCS2(=O)=O)ccc1Cl ZINC000925789168 664674666 /nfs/dbraw/zinc/67/46/66/664674666.db2.gz PVGKRVAAJQPZBN-RDJZCZTQSA-N 1 0 388.961 2.562 20 0 GFADRO O=S1(=O)CCNC[C@H]1CC[NH2+][C@@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000925790960 664674672 /nfs/dbraw/zinc/67/46/72/664674672.db2.gz CXEHRGKGMTXAFS-HZPDHXFCSA-N 1 0 376.444 2.523 20 0 GFADRO Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+]CC[C@@H]1CNCCS1(=O)=O ZINC000925791315 664674769 /nfs/dbraw/zinc/67/47/69/664674769.db2.gz FGOMTHPLOHLJBC-XJKSGUPXSA-N 1 0 379.551 2.546 20 0 GFADRO CC(C)S(=O)(=O)N1CC[C@H]([NH2+][C@@H]2COCc3cccc(Cl)c32)[C@H](C)C1 ZINC000925884825 664676733 /nfs/dbraw/zinc/67/67/33/664676733.db2.gz MTSTZIHPDKJLHA-XOKHGSTOSA-N 1 0 386.945 2.950 20 0 GFADRO COc1ccc(NC(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)cc1Br ZINC000926034068 664679411 /nfs/dbraw/zinc/67/94/11/664679411.db2.gz ALHRNEOWXZPULY-PSASIEDQSA-N 1 0 382.180 2.811 20 0 GFADRO O=C(Nc1cccc(Cl)c1SCC(F)F)N1CCNCC[NH2+]CC1 ZINC000926043143 664679772 /nfs/dbraw/zinc/67/97/72/664679772.db2.gz TXMSTBXMPUMXMX-UHFFFAOYSA-N 1 0 378.876 2.724 20 0 GFADRO COc1cc(NC(=O)N2CCC3(CO[C@H](C[NH3+])C3)CC2)ccc1Br ZINC000926048436 664679949 /nfs/dbraw/zinc/67/99/49/664679949.db2.gz DXSQDPHAXPAQNC-ZDUSSCGKSA-N 1 0 398.301 2.819 20 0 GFADRO Cc1cc(Br)ncc1NC(=O)N1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000926056621 664680118 /nfs/dbraw/zinc/68/01/18/664680118.db2.gz NFQOLWQCNCXPOI-GFCCVEGCSA-N 1 0 383.290 2.514 20 0 GFADRO CCOC(=O)c1cc(CC)sc1NC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000926073982 664680877 /nfs/dbraw/zinc/68/08/77/664680877.db2.gz BUZMNNYQNRYJQO-GHMZBOCLSA-N 1 0 379.404 2.841 20 0 GFADRO CCOC(=O)c1cc(Br)ccc1NC(=O)N1CC[C@H](CC[NH3+])C1 ZINC000926075812 664680883 /nfs/dbraw/zinc/68/08/83/664680883.db2.gz KFBSEKHUJBYHED-NSHDSACASA-N 1 0 384.274 2.828 20 0 GFADRO CCOC(=O)c1c(C)c(C)sc1NC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000926075986 664680884 /nfs/dbraw/zinc/68/08/84/664680884.db2.gz YOKHVSSZJGWKAD-NXEZZACHSA-N 1 0 379.404 2.895 20 0 GFADRO O=C(NC[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)Nc1cc(Cl)c(Cl)cc1F ZINC000926114836 664682152 /nfs/dbraw/zinc/68/21/52/664682152.db2.gz ZQGDKWIIPISUIX-SECBINFHSA-N 1 0 390.242 2.939 20 0 GFADRO COc1cc(I)ccc1NC(=O)N1C[C@H]([NH3+])C(C)(C)C1 ZINC000926131913 664682544 /nfs/dbraw/zinc/68/25/44/664682544.db2.gz HJQFQIFIXDVCAK-LBPRGKRZSA-N 1 0 389.237 2.501 20 0 GFADRO [NH3+]C1CCN(CCNC(=O)Nc2cc(Cl)cc(Br)c2)CC1 ZINC000926138146 664682789 /nfs/dbraw/zinc/68/27/89/664682789.db2.gz KGQAOVQLOWZDKV-UHFFFAOYSA-N 1 0 375.698 2.647 20 0 GFADRO [NH3+]CC[C@H](NC(=O)N1CCc2cc(F)c(Br)cc2C1)C(F)(F)F ZINC000926170563 664683799 /nfs/dbraw/zinc/68/37/99/664683799.db2.gz QOYULRHYSBSZRP-LBPRGKRZSA-N 1 0 398.198 2.936 20 0 GFADRO Cc1cc(Br)c(Cl)cc1NC(=O)NCCN1CCC([NH3+])CC1 ZINC000926172222 664683802 /nfs/dbraw/zinc/68/38/02/664683802.db2.gz CDBJXFBCCUAZOF-UHFFFAOYSA-N 1 0 389.725 2.956 20 0 GFADRO CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)Cc1cccc(Br)c1)C2 ZINC000926177077 664684164 /nfs/dbraw/zinc/68/41/64/664684164.db2.gz DNYZOOMYQZVPQH-RWQQGDIJSA-N 1 0 395.341 2.588 20 0 GFADRO CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NC(=O)c1sccc1Br)C2 ZINC000926182940 664684364 /nfs/dbraw/zinc/68/43/64/664684364.db2.gz LDOMXFOABJNAFJ-UNIGVISCSA-N 1 0 387.343 2.720 20 0 GFADRO CC(C)Oc1cc(NC(=O)N2CCC[C@@]([NH3+])(CO)C2)ccc1Br ZINC000926184849 664684368 /nfs/dbraw/zinc/68/43/68/664684368.db2.gz PMQJTCHUNXFSSK-INIZCTEOSA-N 1 0 386.290 2.554 20 0 GFADRO C[C@H]([NH2+][C@H]1CCCc2sccc21)c1ccc(S(=O)(=O)CC(N)=O)cc1 ZINC000926187718 664684408 /nfs/dbraw/zinc/68/44/08/664684408.db2.gz CYWCRNCXHABLRW-LRDDRELGSA-N 1 0 378.519 2.735 20 0 GFADRO O=C(Nc1ccc(I)c(Cl)c1)N1CCC[NH2+]CC1 ZINC000926218865 664684820 /nfs/dbraw/zinc/68/48/20/664684820.db2.gz IMSSUNOKRVJJPW-UHFFFAOYSA-N 1 0 379.629 2.772 20 0 GFADRO CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NC(=O)c3cc(Cl)nc(Cl)c3)C2)[C@@H]1C(C)C ZINC000926262742 664685733 /nfs/dbraw/zinc/68/57/33/664685733.db2.gz QBHZMTOVAZRFMV-MHRLRVJTSA-N 1 0 386.323 2.988 20 0 GFADRO COc1cc(Br)cc(CNC(=O)N(C)CC2CC[NH+](C)CC2)c1 ZINC000926284935 664686348 /nfs/dbraw/zinc/68/63/48/664686348.db2.gz ZZEODUDTJRKEEX-UHFFFAOYSA-N 1 0 384.318 2.941 20 0 GFADRO [NH3+]CC[C@H]1CCN(C(=O)C(=O)N(Cc2cccs2)Cc2cccs2)C1 ZINC000926287473 664686491 /nfs/dbraw/zinc/68/64/91/664686491.db2.gz CQGNOZXLIOIPON-AWEZNQCLSA-N 1 0 377.535 2.536 20 0 GFADRO O=S(=O)(NCC[NH2+][C@H](C1CC1)C1CCOCC1)c1ccc(Cl)cc1F ZINC000926356962 664688597 /nfs/dbraw/zinc/68/85/97/664688597.db2.gz LIEMIMDWLGRXMC-QGZVFWFLSA-N 1 0 390.908 2.552 20 0 GFADRO O=S(=O)(NCC[NH2+]C1C[C@H]2CC[C@@H](C1)S2)c1ccc(Cl)cc1F ZINC000926356611 664688617 /nfs/dbraw/zinc/68/86/17/664688617.db2.gz NMHBFRXQBZCMLL-YHWZYXNKSA-N 1 0 378.922 2.774 20 0 GFADRO Cn1cc(I)c(C[NH2+][C@@H]2CCC[C@H]2Cc2ccccn2)n1 ZINC000926539180 664691742 /nfs/dbraw/zinc/69/17/42/664691742.db2.gz FQQIPJSMXVOXJE-SWLSCSKDSA-N 1 0 396.276 2.921 20 0 GFADRO Ic1ccc(CC[NH2+][C@H]2CCOC23CCOCC3)cc1 ZINC000926722759 664695782 /nfs/dbraw/zinc/69/57/82/664695782.db2.gz VGMSZSSFZIPKBW-HNNXBMFYSA-N 1 0 387.261 2.761 20 0 GFADRO Cn1ncc(I)c1C[NH2+][C@H]1CCOC12CCCCC2 ZINC000926814597 664696924 /nfs/dbraw/zinc/69/69/24/664696924.db2.gz VFZDNACFIQPOHP-ZDUSSCGKSA-N 1 0 375.254 2.606 20 0 GFADRO CCO[C@H](CNC(=O)N1CCC[C@H]1c1cncc(Br)c1)C[NH+](C)C ZINC000926848999 664697725 /nfs/dbraw/zinc/69/77/25/664697725.db2.gz FTAIBLPGRLFBPL-CVEARBPZSA-N 1 0 399.333 2.657 20 0 GFADRO CSC1(C[NH2+][C@H](C)c2ccc(S(=O)(=O)CC(N)=O)cc2)CCCCC1 ZINC000926872234 664698041 /nfs/dbraw/zinc/69/80/41/664698041.db2.gz BTOJYWABPXQSCZ-CQSZACIVSA-N 1 0 384.567 2.662 20 0 GFADRO C[C@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1[NH2+]CC(C)(C)CS(C)(=O)=O ZINC000926955805 664699546 /nfs/dbraw/zinc/69/95/46/664699546.db2.gz OVKSASZGOTXOHI-LSDHHAIUSA-N 1 0 376.563 2.682 20 0 GFADRO CC[C@@H]([NH2+]C[C@H](O)CS(C)(=O)=O)c1ccc(Br)cc1Cl ZINC000927028721 664702676 /nfs/dbraw/zinc/70/26/76/664702676.db2.gz YFPPIKWLQBTKML-GXFFZTMASA-N 1 0 384.723 2.549 20 0 GFADRO Cn1nccc1[C@H](O)C[NH2+][C@H](c1cccc(Br)c1)C1CCOCC1 ZINC000927126161 664704953 /nfs/dbraw/zinc/70/49/53/664704953.db2.gz DGLJHQQSSFSBFE-MSOLQXFVSA-N 1 0 394.313 2.974 20 0 GFADRO CN(C)c1cc[nH+]c(CNC(=O)c2nc(Br)sc2Cl)c1 ZINC000927696436 664714218 /nfs/dbraw/zinc/71/42/18/664714218.db2.gz XDNVGJJAHMLWCN-UHFFFAOYSA-N 1 0 375.679 2.950 20 0 GFADRO [NH3+]C[C@H]1CCCN(C(=O)c2ccc(Cn3cc(Br)cn3)s2)C1 ZINC000927770240 664715633 /nfs/dbraw/zinc/71/56/33/664715633.db2.gz VRXHVRKAUGLNRX-LLVKDONJSA-N 1 0 383.315 2.566 20 0 GFADRO O=C(NC[C@@H]1CCCC[NH2+]1)c1ccc(Cn2cc(Br)cn2)s1 ZINC000927772943 664715741 /nfs/dbraw/zinc/71/57/41/664715741.db2.gz DVHHWIQUFMVQBV-LBPRGKRZSA-N 1 0 383.315 2.627 20 0 GFADRO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)C[C@H]1CC[NH3+] ZINC000927833906 664716453 /nfs/dbraw/zinc/71/64/53/664716453.db2.gz NOJUHVMORAVIFE-NXEZZACHSA-N 1 0 377.794 2.741 20 0 GFADRO Cc1cc(Cl)c(NC(=O)C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)cc1Cl ZINC000927843053 664716530 /nfs/dbraw/zinc/71/65/30/664716530.db2.gz SARKVMRRYURZBM-GMSGAONNSA-N 1 0 384.185 2.588 20 0 GFADRO [NH3+][C@@H]1CN(C(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)CC[C@H]1C(F)(F)F ZINC000927847410 664716671 /nfs/dbraw/zinc/71/66/71/664716671.db2.gz ITHHVLGKJJGMPI-GHMZBOCLSA-N 1 0 384.185 2.670 20 0 GFADRO CSc1ccc(Cl)cc1NC(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000927849076 664716792 /nfs/dbraw/zinc/71/67/92/664716792.db2.gz NPJQAFWAXMRFMM-ZJUUUORDSA-N 1 0 395.834 2.739 20 0 GFADRO CCOc1c(Cl)cc(NC(=O)C(=O)N2CC[C@H](C[NH3+])[C@@H](C)C2)cc1Cl ZINC000927891609 664717386 /nfs/dbraw/zinc/71/73/86/664717386.db2.gz UEBZIYKMLRIJCO-WDEREUQCSA-N 1 0 388.295 2.774 20 0 GFADRO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC[C@@H]1C[NH3+] ZINC000927893185 664717495 /nfs/dbraw/zinc/71/74/95/664717495.db2.gz LXEUVEBTXRCJBX-NXEZZACHSA-N 1 0 377.794 2.741 20 0 GFADRO Cc1oc(-c2cccs2)nc1CC(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000928097761 664723074 /nfs/dbraw/zinc/72/30/74/664723074.db2.gz QFBRLAHVFOQOHF-HIFRSBDPSA-N 1 0 377.535 2.950 20 0 GFADRO CC(=O)NCCCCC[NH+]1CCN(Cc2ccc(Br)s2)CC1 ZINC000929235671 664748671 /nfs/dbraw/zinc/74/86/71/664748671.db2.gz BMPNUWKWFHYHFJ-UHFFFAOYSA-N 1 0 388.375 2.935 20 0 GFADRO C[N@@H+]1C[C@@H]2CN(C(=O)Nc3cc4c(cc3Br)OCCO4)C[C@]2(C)C1 ZINC000929308944 664749903 /nfs/dbraw/zinc/74/99/03/664749903.db2.gz OINGZVGJAGSUMU-DIFFPNOSSA-N 1 0 396.285 2.636 20 0 GFADRO CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)CC(=O)Nc1ccccc1Br ZINC000929325277 664750257 /nfs/dbraw/zinc/75/02/57/664750257.db2.gz ICWLNUKPRBQNBD-HNNXBMFYSA-N 1 0 382.302 2.719 20 0 GFADRO C[C@@H]1C[NH+](CCCNC(=O)c2cnc(CCC(F)(F)F)s2)C[C@@H](C)O1 ZINC000929630011 664755104 /nfs/dbraw/zinc/75/51/04/664755104.db2.gz AAWPZWPOFWSJNS-VXGBXAGGSA-N 1 0 379.448 2.867 20 0 GFADRO COC(=O)c1ccc(Br)c(C[N@@H+]2CC[C@@H](c3nccn3C)C2)c1 ZINC000930093131 664762806 /nfs/dbraw/zinc/76/28/06/664762806.db2.gz KESLKVBBSUKHII-CYBMUJFWSA-N 1 0 378.270 2.959 20 0 GFADRO CC1(c2cccc(Br)c2)CC[NH+](C[C@@H](O)C[C@]2(O)CCOC2)CC1 ZINC000930160604 664763676 /nfs/dbraw/zinc/76/36/76/664763676.db2.gz SGZWRCMSUSXWAE-PKOBYXMFSA-N 1 0 398.341 2.705 20 0 GFADRO O=C(NCC[NH+]1CCC(O)CC1)Nc1ccc(Cl)c(Br)c1 ZINC000930329577 664767295 /nfs/dbraw/zinc/76/72/95/664767295.db2.gz GEYWLDHXYWHGBN-UHFFFAOYSA-N 1 0 376.682 2.681 20 0 GFADRO CC[NH+](CC)CCC[C@H](C)NC(=O)c1cc(Br)cn2ncnc12 ZINC000930358648 664768033 /nfs/dbraw/zinc/76/80/33/664768033.db2.gz LZEOXRJGACCRDD-LBPRGKRZSA-N 1 0 382.306 2.732 20 0 GFADRO CC[N@@H+]1CC[C@H](CNC(=O)c2cnn(Cc3ccccc3)c2Br)C1 ZINC000930368295 664768407 /nfs/dbraw/zinc/76/84/07/664768407.db2.gz RVQRNFGXCMFCKC-OAHLLOKOSA-N 1 0 391.313 2.766 20 0 GFADRO CCOc1cc(Br)ccc1NC(=O)N1CCN(C)CC[N@H+](C)CC1 ZINC000930411663 664769924 /nfs/dbraw/zinc/76/99/24/664769924.db2.gz WAMLUSNFFOQUDE-UHFFFAOYSA-N 1 0 399.333 2.559 20 0 GFADRO Brc1ccc(C[N@H+](CCn2ccnc2)C[C@@H]2C[C@@H]3COC[C@@H]3O2)o1 ZINC000930447459 664770582 /nfs/dbraw/zinc/77/05/82/664770582.db2.gz YOJGITSLTHOPEU-KBMXLJTQSA-N 1 0 396.285 2.545 20 0 GFADRO Ic1cnnn1C1CC[NH+](CCCc2cccnc2)CC1 ZINC000931014546 664782848 /nfs/dbraw/zinc/78/28/48/664782848.db2.gz DTXFKZSRSOBXIQ-UHFFFAOYSA-N 1 0 397.264 2.547 20 0 GFADRO COC(=O)c1ccc(Br)c(CN2CCC([NH+]3CCOCC3)CC2)c1 ZINC000931035090 664783734 /nfs/dbraw/zinc/78/37/34/664783734.db2.gz DVPRSCRPFREJDG-UHFFFAOYSA-N 1 0 397.313 2.532 20 0 GFADRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)c2cc(=O)n(C)cc2Br)C1 ZINC000931134721 664786784 /nfs/dbraw/zinc/78/67/84/664786784.db2.gz PRCPMZBQWXXOEQ-HZSPNIEDSA-N 1 0 396.329 2.625 20 0 GFADRO COc1c(C)cnc(CN(C)C(=O)c2ccc(Br)[nH]c2=O)c1C ZINC000931145156 664786968 /nfs/dbraw/zinc/78/69/68/664786968.db2.gz DREDJQIYVODOSL-UHFFFAOYSA-N 1 0 380.242 2.842 20 0 GFADRO COC(=O)[C@H](c1ccccc1Br)N1CCc2[nH+]ccc(N)c2C1 ZINC000931516448 664797102 /nfs/dbraw/zinc/79/71/02/664797102.db2.gz UAYIZWSOBQNLIU-INIZCTEOSA-N 1 0 376.254 2.699 20 0 GFADRO Cc1c(Br)nccc1NC(=O)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000931548379 664798103 /nfs/dbraw/zinc/79/81/03/664798103.db2.gz GXIPHTAFMWGOSQ-STQMWFEESA-N 1 0 385.331 2.854 20 0 GFADRO C[N@H+]1C[C@H]2CN(C(=O)Nc3ccn(-c4ccc(Br)cc4)n3)C[C@H]2C1 ZINC000931554732 664798472 /nfs/dbraw/zinc/79/84/72/664798472.db2.gz PLOPTWOJRGYRBH-BETUJISGSA-N 1 0 390.285 2.660 20 0 GFADRO O=C(Nc1nc2cc(Br)ccn2n1)N1CCC([NH2+]C2CCC2)CC1 ZINC000931648743 664801710 /nfs/dbraw/zinc/80/17/10/664801710.db2.gz ROCNGADUTYXRLF-UHFFFAOYSA-N 1 0 393.289 2.630 20 0 GFADRO O=C(c1cc2ccc(Br)cc2c(=O)o1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000931650637 664801781 /nfs/dbraw/zinc/80/17/81/664801781.db2.gz LMMSZZXAORGZKO-CQSZACIVSA-N 1 0 391.265 2.866 20 0 GFADRO O=C(C[C@H]1C(=O)Nc2ccc(Br)cc21)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000931653091 664801799 /nfs/dbraw/zinc/80/17/99/664801799.db2.gz SOWYEYMJJSNSQJ-UKRRQHHQSA-N 1 0 392.297 2.572 20 0 GFADRO CC(C)(C)OCCC[NH+]1CCN(C[C@](C)(O)C(F)(F)C(F)(F)F)CC1 ZINC000931696505 664803057 /nfs/dbraw/zinc/80/30/57/664803057.db2.gz MTYUNHUOXBKFRL-AWEZNQCLSA-N 1 0 376.410 2.758 20 0 GFADRO C[NH+](C)C[C@@H]1CCCCN1C(=O)C[C@H]1C(=O)Nc2ccc(Br)cc21 ZINC000931905048 664807140 /nfs/dbraw/zinc/80/71/40/664807140.db2.gz AVSGBRGYLGSRLY-DZGCQCFKSA-N 1 0 394.313 2.818 20 0 GFADRO COC(=O)C[C@@H]1CN(CC(=O)Nc2ccc(Br)cc2F)C[C@H]1C ZINC000932107770 664810252 /nfs/dbraw/zinc/81/02/52/664810252.db2.gz PWTOJLNXQOYCFK-GHMZBOCLSA-N 1 0 387.249 2.658 20 0 GFADRO C[C@H]([NH2+][C@H]1CCOc2ccc(Br)cc21)C(=O)NC[C@H]1CCCO1 ZINC000932207529 664813416 /nfs/dbraw/zinc/81/34/16/664813416.db2.gz LFKZKZOZRSQFFA-LNSITVRQSA-N 1 0 383.286 2.546 20 0 GFADRO C[N@@H+]1CCC[C@@H](CNC(=O)c2cc(Br)cnc2Br)C1 ZINC000932312331 664819440 /nfs/dbraw/zinc/81/94/40/664819440.db2.gz VFVBVFYGAPLWIL-VIFPVBQESA-N 1 0 391.107 2.678 20 0 GFADRO CC(C)(C)OC(=O)NCC[C@@H]1CC[N@H+](CCCS(=O)(=O)C(C)(C)C)C1 ZINC000932698390 664832213 /nfs/dbraw/zinc/83/22/13/664832213.db2.gz UDNRWKROSNEOSP-OAHLLOKOSA-N 1 0 376.563 2.827 20 0 GFADRO Cc1ncc(NC(=O)N2CC[N@@H+](CC(C)(C)O)C[C@H]2C)c(C)c1Br ZINC000932776998 664837271 /nfs/dbraw/zinc/83/72/71/664837271.db2.gz UUESYATXSCFKOK-LLVKDONJSA-N 1 0 399.333 2.770 20 0 GFADRO O=C1N[C@@H](C2CC[NH+](C[C@@H](O)COc3cc(Cl)ccc3Cl)CC2)CO1 ZINC000932785903 664838549 /nfs/dbraw/zinc/83/85/49/664838549.db2.gz ZPTSPCXLWPNPOR-UKRRQHHQSA-N 1 0 389.279 2.554 20 0 GFADRO O[C@]1(c2ccc(Br)cc2)CCC[N@H+](C[C@@H]2C[C@@H]3COC[C@@H]3O2)C1 ZINC000932813652 664839717 /nfs/dbraw/zinc/83/97/17/664839717.db2.gz BNZLBAMHODFNQK-XFKAJCMBSA-N 1 0 382.298 2.536 20 0 GFADRO O[C@]1(c2ccc(Br)cc2)CCC[N@H+](C[C@H]2CCc3ncnn32)C1 ZINC000932815103 664839909 /nfs/dbraw/zinc/83/99/09/664839909.db2.gz LIRMIOXMGXODDU-NVXWUHKLSA-N 1 0 377.286 2.512 20 0 GFADRO O=C1NC[C@@H](O)CC12CC[NH+](Cc1ccc(Cl)cc1Br)CC2 ZINC000932831940 664841468 /nfs/dbraw/zinc/84/14/68/664841468.db2.gz VEMGGNVBBLQSSD-ZDUSSCGKSA-N 1 0 387.705 2.566 20 0 GFADRO COc1ncc(NC(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)c(C)c1Br ZINC000932941802 664843599 /nfs/dbraw/zinc/84/35/99/664843599.db2.gz NHHGWTSPVBKTMI-RYUDHWBXSA-N 1 0 383.290 2.909 20 0 GFADRO C[NH+](C)CCN(Cc1ccsc1)C(=O)N[C@H]([C@H]1CCOC1)C(F)(F)F ZINC000932993954 664846343 /nfs/dbraw/zinc/84/63/43/664846343.db2.gz OMQSFLBZZHWFLB-UONOGXRCSA-N 1 0 379.448 2.789 20 0 GFADRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C[C@@H]1C(=O)Nc2ccc(Br)cc21 ZINC000933436641 664863817 /nfs/dbraw/zinc/86/38/17/664863817.db2.gz VDYWDYWPVKKSSA-WPGHFRTFSA-N 1 0 394.313 2.674 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cnn3cccc(Br)c23)[C@@H](C)C1 ZINC000933440088 664864485 /nfs/dbraw/zinc/86/44/85/664864485.db2.gz XTEYYPIPPVJHSI-WFASDCNBSA-N 1 0 379.302 2.899 20 0 GFADRO CC(C)(C)n1ncnc1C[NH2+][C@](C)(CO)Cc1ccc(Br)cc1 ZINC000933441932 664864635 /nfs/dbraw/zinc/86/46/35/664864635.db2.gz QEWPIVCKVULMOE-KRWDZBQOSA-N 1 0 381.318 2.879 20 0 GFADRO C[C@H]1C[C@H](NC(=O)c2cc(Br)cnc2Br)CC[N@@H+]1C ZINC000933490606 664866718 /nfs/dbraw/zinc/86/67/18/664866718.db2.gz BJWMADBYMNLQGP-WCBMZHEXSA-N 1 0 391.107 2.819 20 0 GFADRO CSc1ccc2cc(C[N@@H+]3C[C@@H](C)[C@H](CS(N)(=O)=O)C3)c(Cl)nc2c1 ZINC000933702356 664873842 /nfs/dbraw/zinc/87/38/42/664873842.db2.gz VGZIZHDTZYVYPM-RISCZKNCSA-N 1 0 399.969 2.967 20 0 GFADRO Cc1ccc(NC(=O)[C@H](C)N2C[C@@H]3C[N@H+](C)C[C@]3(C)C2)c(Br)c1 ZINC000933745549 664876767 /nfs/dbraw/zinc/87/67/67/664876767.db2.gz RAWUBCMWXHCWJW-SUNYJGFJSA-N 1 0 380.330 2.968 20 0 GFADRO O=C1CC[N@H+](Cc2nnc(-c3ccc(Br)o3)o2)CCCCCN1 ZINC000934162062 664891111 /nfs/dbraw/zinc/89/11/11/664891111.db2.gz DIUAJMJYLFCYIK-UHFFFAOYSA-N 1 0 383.246 2.584 20 0 GFADRO CCOC(=O)[C@@H]1[C@H](C)C[C@H](C)[N@H+](C[C@H](O)P(=O)(OCC)OCC)[C@H]1C ZINC000934166218 664891433 /nfs/dbraw/zinc/89/14/33/664891433.db2.gz NCQQIUFPWSYKBW-LYYZXLFJSA-N 1 0 379.434 2.869 20 0 GFADRO OC[C@@H]1COc2ccccc2[C@@H]1[NH2+]C[C@H](O)c1ccccc1Br ZINC000934214319 664892412 /nfs/dbraw/zinc/89/24/12/664892412.db2.gz OOCAUBBIWUHZPK-PZPSRYQVSA-N 1 0 378.266 2.814 20 0 GFADRO CCN1CC[NH+](C[C@H](C)CNC(=O)Nc2cncc(Br)c2C)CC1 ZINC000934253279 664894382 /nfs/dbraw/zinc/89/43/82/664894382.db2.gz UHSWKWUHNRKJDD-CYBMUJFWSA-N 1 0 398.349 2.548 20 0 GFADRO C[C@H](C(=O)Nc1cccc(Cl)c1Cl)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000934259076 664894853 /nfs/dbraw/zinc/89/48/53/664894853.db2.gz DLLVHHBZKQYUAL-DAXOMENPSA-N 1 0 386.323 2.851 20 0 GFADRO Cc1c(Br)cncc1NC(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000934266534 664895941 /nfs/dbraw/zinc/89/59/41/664895941.db2.gz DOYKRMKDTCFOLO-AWEZNQCLSA-N 1 0 397.317 2.729 20 0 GFADRO O=C(Nc1c(Br)cnn1C1CC1)NC1CC[NH+](CC2CC2)CC1 ZINC000934378868 664904946 /nfs/dbraw/zinc/90/49/46/664904946.db2.gz YFXOYEHOTCZZNF-UHFFFAOYSA-N 1 0 382.306 2.976 20 0 GFADRO O=C1Nc2ccc(Br)cc2CC[C@H]1[NH2+][C@H]1CCOC12CCOCC2 ZINC000934401929 664905675 /nfs/dbraw/zinc/90/56/75/664905675.db2.gz LQKKJTHEPTWMQD-CVEARBPZSA-N 1 0 395.297 2.630 20 0 GFADRO C[C@](CO)([NH2+]C[C@@H](O)C[C@@H](O)c1ccccc1)c1cccc(Br)c1 ZINC000934493200 664908565 /nfs/dbraw/zinc/90/85/65/664908565.db2.gz JLUDUEKBQCHAIV-IPMKNSEASA-N 1 0 394.309 2.731 20 0 GFADRO OC[C@H]([NH2+]CC[C@@H]1CCCCO1)c1ccccc1I ZINC000934825760 664924288 /nfs/dbraw/zinc/92/42/88/664924288.db2.gz GDLLCQKHVBDGOP-WFASDCNBSA-N 1 0 375.250 2.873 20 0 GFADRO C[NH+](C)C[C@H]1CN(C(=O)c2cc(=O)[nH]cc2Br)c2ccccc2O1 ZINC000934734174 664916141 /nfs/dbraw/zinc/91/61/41/664916141.db2.gz CUSLNOQHKOXQHX-NSHDSACASA-N 1 0 392.253 2.519 20 0 GFADRO Cc1ccc([C@@H](O)C[NH2+][C@@H](CO)c2ccccc2I)cc1 ZINC000934829756 664926403 /nfs/dbraw/zinc/92/64/03/664926403.db2.gz SXJWNFJUCYDKRV-IRXDYDNUSA-N 1 0 397.256 2.956 20 0 GFADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3cnn4cccc(Br)c34)CC[C@@H]21 ZINC000934890011 664928389 /nfs/dbraw/zinc/92/83/89/664928389.db2.gz LCDWEBAYOHYHQI-DOMZBBRYSA-N 1 0 377.286 2.653 20 0 GFADRO C[C@@H](NC(=O)c1cc(=O)[nH]cc1Br)[C@H](c1ccccc1)[NH+](C)C ZINC000935438281 664961630 /nfs/dbraw/zinc/96/16/30/664961630.db2.gz KEGBMAHISUELPI-BDJLRTHQSA-N 1 0 378.270 2.971 20 0 GFADRO Cn1cc(Br)c(C(=O)NC(C)(C)CC[NH+]2CCCCCC2)cc1=O ZINC000935460384 664963194 /nfs/dbraw/zinc/96/31/94/664963194.db2.gz BVACLAMFOIZRDA-UHFFFAOYSA-N 1 0 398.345 2.922 20 0 GFADRO CN(CC1([NH+](C)C)CCC1)C(=O)c1cc2cc(Br)cnc2n1C ZINC000935554550 664969752 /nfs/dbraw/zinc/96/97/52/664969752.db2.gz VNEDQTYHJOWINX-UHFFFAOYSA-N 1 0 379.302 2.892 20 0 GFADRO O=C(NC1CC([NH+]2CCCCC2)C1)c1cnn2cccc(Br)c12 ZINC000935761189 664987421 /nfs/dbraw/zinc/98/74/21/664987421.db2.gz YLDKDIWWNAAXED-UHFFFAOYSA-N 1 0 377.286 2.844 20 0 GFADRO COc1cc(Br)cc(C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000935850014 664993149 /nfs/dbraw/zinc/99/31/49/664993149.db2.gz OSQWFWZWFPAPKM-CQSZACIVSA-N 1 0 397.313 2.642 20 0 GFADRO O=C(C/C=C/c1ccc(Br)cc1)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000935984438 665002460 /nfs/dbraw/zinc/00/24/60/665002460.db2.gz MSJQZAUAEDCIPC-BCGROGQWSA-N 1 0 379.298 2.520 20 0 GFADRO CN(CCn1cc(Br)cn1)C(=O)c1ccc(C[NH+]2CCCCC2)o1 ZINC000936024035 665004664 /nfs/dbraw/zinc/00/46/64/665004664.db2.gz VHWQOHMRGYLPEY-UHFFFAOYSA-N 1 0 395.301 2.997 20 0 GFADRO C[NH+](C)[C@H](C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cscc1Cl)C2)C1CC1 ZINC000997468349 665036416 /nfs/dbraw/zinc/03/64/16/665036416.db2.gz UFNGWFQMLVXERJ-MEYUZBJRSA-N 1 0 381.929 2.603 20 0 GFADRO C[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)c2sccc2Cl)CC1 ZINC000997889959 665037818 /nfs/dbraw/zinc/03/78/18/665037818.db2.gz BEUQNPBOTCPUFN-SNPRPXQTSA-N 1 0 381.929 2.605 20 0 GFADRO C[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cscc1Cl ZINC000998075172 665038566 /nfs/dbraw/zinc/03/85/66/665038566.db2.gz IQHUHNLVLWDTRP-MEYUZBJRSA-N 1 0 381.929 2.748 20 0 GFADRO C[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccc(Cl)s1 ZINC000998077280 665038659 /nfs/dbraw/zinc/03/86/59/665038659.db2.gz UVBILAJFBRCKCU-RFGFWPKPSA-N 1 0 381.929 2.748 20 0 GFADRO C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)c2csc(Cl)c2)C1 ZINC000998629721 665040652 /nfs/dbraw/zinc/04/06/52/665040652.db2.gz IFBYJOOJGQSNHV-ATGSNQNLSA-N 1 0 381.929 2.605 20 0 GFADRO C[C@H]1CCC[N@@H+]1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cscc1Cl ZINC001000461621 665046939 /nfs/dbraw/zinc/04/69/39/665046939.db2.gz WTEVHZXPUPWHIT-VZAMPYOESA-N 1 0 381.929 2.748 20 0 GFADRO C[C@@H]1[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ccc(Cl)s2)C3)CC[N@@H+]1C ZINC001000586467 665047337 /nfs/dbraw/zinc/04/73/37/665047337.db2.gz QUNVPTCFWVKAKT-POQQGIQPSA-N 1 0 381.929 2.603 20 0 GFADRO C[C@@H]1[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2cscc2Cl)CC[N@@H+]1C ZINC001003131546 665058888 /nfs/dbraw/zinc/05/88/88/665058888.db2.gz BZZYIACWPNATEP-BQJFBPGXSA-N 1 0 381.929 2.603 20 0 GFADRO C[N@@H+]1CC[C@@H](CC(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2sccc2Cl)C3)C1 ZINC001003324695 665059175 /nfs/dbraw/zinc/05/91/75/665059175.db2.gz AORDZZIBZWEWSW-MXYBEHONSA-N 1 0 381.929 2.605 20 0 GFADRO C[NH+](C)C1(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cscc2Cl)C3)CCC1 ZINC001003449830 665060936 /nfs/dbraw/zinc/06/09/36/665060936.db2.gz YJSCZORIOJQNNA-DFBGVHRSSA-N 1 0 381.929 2.748 20 0 GFADRO C[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2cc(Cl)cs2)CC1 ZINC001003746831 665061948 /nfs/dbraw/zinc/06/19/48/665061948.db2.gz TZTKDDTYWHNNFQ-KFWWJZLASA-N 1 0 381.929 2.605 20 0 GFADRO Cc1cc(NC(=O)C(=O)N2CCC([NH+]3CCCC3)CC2)ccc1Br ZINC000120574625 677397063 /nfs/dbraw/zinc/39/70/63/677397063.db2.gz FZXPDIPUGSREPI-UHFFFAOYSA-N 1 0 394.313 2.783 20 0 GFADRO Cc1c(Br)cccc1NC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000120724165 677397727 /nfs/dbraw/zinc/39/77/27/677397727.db2.gz ABUVOPYKEKPFCK-XJKSGUPXSA-N 1 0 394.313 2.639 20 0 GFADRO C[C@H]1CN(C(=O)c2cc(Br)ccc2Br)CCN1C ZINC000160555350 677404250 /nfs/dbraw/zinc/40/42/50/677404250.db2.gz BHWFWXFZXKKIMC-VIFPVBQESA-N 1 0 376.092 2.988 20 0 GFADRO Brc1cc(C[NH2+]CCc2nnc3ccccn32)cc2c1OCCO2 ZINC000378903771 677405406 /nfs/dbraw/zinc/40/54/06/677405406.db2.gz DGUQWRQULXJJGY-UHFFFAOYSA-N 1 0 389.253 2.595 20 0 GFADRO C[C@H](NS(=O)(=O)c1ccc(Cl)nc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000381190638 677405977 /nfs/dbraw/zinc/40/59/77/677405977.db2.gz XJKCMGGUHMMTGT-GOEBONIOSA-N 1 0 379.913 2.924 20 0 GFADRO COC(=O)[C@]12C[N@H+](Cc3nc4ccc(Br)cc4o3)C[C@H]1COCC2 ZINC000463198545 677412769 /nfs/dbraw/zinc/41/27/69/677412769.db2.gz NIURVEBPBNICID-APPDUMDISA-N 1 0 395.253 2.602 20 0 GFADRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NS(=O)(=O)c1cnc(Cl)c(F)c1 ZINC000390007062 677673066 /nfs/dbraw/zinc/67/30/66/677673066.db2.gz XEHDWIRUCDOKQR-BLLLJJGKSA-N 1 0 383.876 2.673 20 0 GFADRO C[C@@H]1C[C@H](C[NH2+]C[C@H](O)COc2cc(F)cc(Br)c2)CCO1 ZINC000579582345 677673443 /nfs/dbraw/zinc/67/34/43/677673443.db2.gz WWUYVAQVESELAD-JMSVASOKSA-N 1 0 376.266 2.733 20 0 GFADRO Cc1cc(NC(=O)CN2CCC[C@@H](n3ccnn3)C2)ccc1Br ZINC000579826075 677673582 /nfs/dbraw/zinc/67/35/82/677673582.db2.gz HJQBDTJZIPHQHI-CQSZACIVSA-N 1 0 378.274 2.625 20 0 GFADRO C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@@H](CO)C1CCOCC1 ZINC000580237413 677673918 /nfs/dbraw/zinc/67/39/18/677673918.db2.gz PHHTZJLLQADEHD-LRDDRELGSA-N 1 0 385.302 2.543 20 0 GFADRO O=C(N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1O)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC001077568307 677676141 /nfs/dbraw/zinc/67/61/41/677676141.db2.gz VFGWNFZMRVUKMP-KLHDSHLOSA-N 1 0 376.909 2.867 20 0 GFADRO Clc1cccc(Oc2nc(Cl)ncc2N2CCN3CC[NH2+]C[C@@H]3C2)c1 ZINC001164400519 718843415 /nfs/dbraw/zinc/84/34/15/718843415.db2.gz YSZPBYASYOCUCC-CYBMUJFWSA-N 1 0 380.279 2.670 20 0 GFADRO [NH3+][C@]12C[C@H]1CN(C(F)(F)Oc1cccc(COc3cncc(Cl)n3)c1)C2 ZINC001164419189 718888819 /nfs/dbraw/zinc/88/88/19/718888819.db2.gz QNKKQIYWEVOJKI-LRDDRELGSA-N 1 0 382.798 2.671 20 0 GFADRO CN(C)c1cc(Cl)nc(C(F)(F)N2C[C@@H]3[NH2+]Cc4ccccc4[C@H]3C2)n1 ZINC001164422723 718941314 /nfs/dbraw/zinc/94/13/14/718941314.db2.gz BPHHRHPSJBLXRZ-KGLIPLIRSA-N 1 0 379.842 2.817 20 0 GFADRO CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN([C@H](F)c1ccnc(Cl)c1)C2 ZINC001164434808 718969338 /nfs/dbraw/zinc/96/93/38/718969338.db2.gz VSUDHSWGVWXEEO-CFVMTHIKSA-N 1 0 395.784 2.720 20 0 GFADRO CCOC(=O)C1CC[NH+](C2CCN(c3nccnc3OC3CCC3)CC2)CC1 ZINC001164616537 719033994 /nfs/dbraw/zinc/03/39/94/719033994.db2.gz FIRQWFGXELPBPV-UHFFFAOYSA-N 1 0 388.512 2.652 20 0 GFADRO NC(=O)c1cc(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)nc(C2CC2)n1 ZINC001164622586 719114009 /nfs/dbraw/zinc/11/40/09/719114009.db2.gz CDHOGGGNFOUBGT-MJGOQNOKSA-N 1 0 377.492 2.554 20 0 GFADRO [NH3+]C1([C@@H]2CN(C(F)(F)COC(=O)Nc3cccnc3Cl)C[C@@H]2CF)CC1 ZINC001164619126 719124829 /nfs/dbraw/zinc/12/48/29/719124829.db2.gz CEAAYMGIYAUCDE-WDEREUQCSA-N 1 0 392.809 2.885 20 0 GFADRO COc1ccc(Cn2cc3[nH]c(N4C[C@@H](C)[N@H+](C)C[C@H]4C)ccc-3c2=O)cc1 ZINC001164638319 719231466 /nfs/dbraw/zinc/23/14/66/719231466.db2.gz OCIIAZSQTQQVDR-HZPDHXFCSA-N 1 0 380.492 2.775 20 0 GFADRO CCn1nnc2c1[C@@H](COC)CN(c1ccc([C@@H]3CCCC[N@@H+]3CC)cn1)C2 ZINC001164662396 719362139 /nfs/dbraw/zinc/36/21/39/719362139.db2.gz BSJSIMATELKSOW-MJGOQNOKSA-N 1 0 384.528 2.990 20 0 GFADRO CCOC(=O)c1c(Cl)c2ccccc2nc1N1C[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC001164672355 719435062 /nfs/dbraw/zinc/43/50/62/719435062.db2.gz QWPDEOCJBIFSDW-LSDHHAIUSA-N 1 0 375.856 2.584 20 0 GFADRO Cc1cc(C(F)(F)n2nc(CN(C)C(C)C)c3c2C[NH2+]CC3)c(Cl)nn1 ZINC001164679487 719641847 /nfs/dbraw/zinc/64/18/47/719641847.db2.gz CHOIXNYVMKVVMZ-UHFFFAOYSA-N 1 0 384.862 2.718 20 0 GFADRO CCCSc1ncnc(-n2nc(CN(C)C(C)C)c3c2C[NH2+]CC3)c1OC ZINC001164685324 719651472 /nfs/dbraw/zinc/65/14/72/719651472.db2.gz ZFVCGBFPFFPFHZ-UHFFFAOYSA-N 1 0 390.557 2.659 20 0 GFADRO CNC(=O)C[N@@H+]1CCCC12CCN(C(F)(F)c1ccc(C)c(Cl)n1)CC2 ZINC001164683738 719723928 /nfs/dbraw/zinc/72/39/28/719723928.db2.gz FEHFVGLAIJZOHW-UHFFFAOYSA-N 1 0 386.874 2.769 20 0 GFADRO CCc1ccc(-c2ccc(N3CCC4(CCC[N@@H+]4CC(=O)NC)CC3)nn2)cc1 ZINC001164690124 719747618 /nfs/dbraw/zinc/74/76/18/719747618.db2.gz TZDUISCKLCFHQH-UHFFFAOYSA-N 1 0 393.535 2.887 20 0 GFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(Cl)nc3cc[nH]c31)C2 ZINC001164809233 720066599 /nfs/dbraw/zinc/06/65/99/720066599.db2.gz IZIVKKOBITXJNF-AUUYWEPGSA-N 1 0 375.904 2.796 20 0 GFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1nccc(Cl)n1)C2 ZINC001164811686 720081366 /nfs/dbraw/zinc/08/13/66/720081366.db2.gz PGFBBKSMTHEECO-PBHICJAKSA-N 1 0 386.874 2.860 20 0 GFADRO CCOC(=O)c1cc(C)cc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COC)n1 ZINC001164809271 720085700 /nfs/dbraw/zinc/08/57/00/720085700.db2.gz JEQHRUDLPJJTFA-GCJKJVERSA-N 1 0 387.524 2.751 20 0 GFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ncc3ccc(OC)cc3n1)C2 ZINC001164808002 720096654 /nfs/dbraw/zinc/09/66/54/720096654.db2.gz GZNJECIPAJUZIY-PGRDOPGGSA-N 1 0 382.508 2.823 20 0 GFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ccc3c(C(=O)OC)c[nH]c3n1)C2 ZINC001164812186 720096880 /nfs/dbraw/zinc/09/68/80/720096880.db2.gz PULKLWZVLYATHC-OPAMFIHVSA-N 1 0 398.507 2.534 20 0 GFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nccc3c1C(=O)OC3(C)C)C2 ZINC001164816489 720103549 /nfs/dbraw/zinc/10/35/49/720103549.db2.gz ZFGVXGVXNFDIMW-AOMKIAJQSA-N 1 0 385.508 2.672 20 0 GFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(C)nc(Cl)c1OC)C2 ZINC001164815401 720115263 /nfs/dbraw/zinc/11/52/63/720115263.db2.gz VFTFOMQRFNWBCX-BEFAXECRSA-N 1 0 380.920 2.632 20 0 GFADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(OC)nc(C)n1)CC2 ZINC001164719452 720116423 /nfs/dbraw/zinc/11/64/23/720116423.db2.gz XAJYJMYJUKWFMW-IBGZPJMESA-N 1 0 397.523 2.696 20 0 GFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cnc3ccc(OC)cc3n1)C2 ZINC001164809056 720117156 /nfs/dbraw/zinc/11/71/56/720117156.db2.gz GKTVZZDVSNNRHE-VGSWGCGISA-N 1 0 382.508 2.823 20 0 GFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cncc(N3CCCCC3)n1)C2 ZINC001164816516 720146015 /nfs/dbraw/zinc/14/60/15/720146015.db2.gz ZTRIIDLBSPKIBK-UGKGYDQZSA-N 1 0 385.556 2.652 20 0 GFADRO Cn1nnc2c1CCN(c1nccc3ccsc31)[C@H]2COCC[NH+]1CCCC1 ZINC001164717098 720175020 /nfs/dbraw/zinc/17/50/20/720175020.db2.gz KQHWIBMGFDIKCC-KRWDZBQOSA-N 1 0 398.536 2.641 20 0 GFADRO COc1cc(Cl)cnc1N1CCCn2c(=O)cc(C[N@H+](C)C(C)C)nc2C1 ZINC001164813236 720212574 /nfs/dbraw/zinc/21/25/74/720212574.db2.gz NUEOTNTWPXSOGY-UHFFFAOYSA-N 1 0 391.903 2.551 20 0 GFADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1nccc(C(C)(C)C)n1)CCC2 ZINC001164812580 720220738 /nfs/dbraw/zinc/22/07/38/720220738.db2.gz GOLPPPMFZRECTO-UHFFFAOYSA-N 1 0 384.528 2.581 20 0 GFADRO Cc1nc(N2CCCn3c(=O)cc(C[N@@H+](C)C(C)C)nc3C2)nc(C)c1Cl ZINC001164812594 720227725 /nfs/dbraw/zinc/22/77/25/720227725.db2.gz GWULEOKFGGTVKN-UHFFFAOYSA-N 1 0 390.919 2.554 20 0 GFADRO Cc1cc(N2CCCn3c(=O)cc(C[N@@H+](C)C(C)C)nc3C2)nc(C(C)(C)C)n1 ZINC001164813466 720239683 /nfs/dbraw/zinc/23/96/83/720239683.db2.gz ONMZJOZJFFBZEH-UHFFFAOYSA-N 1 0 398.555 2.890 20 0 GFADRO Cc1nc(Cl)nc(N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c1C ZINC001164817856 720286301 /nfs/dbraw/zinc/28/63/01/720286301.db2.gz GGKZIOTVBXICFI-IRXDYDNUSA-N 1 0 391.947 2.658 20 0 GFADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2nccc3ncccc32)CC1 ZINC001164821920 720299667 /nfs/dbraw/zinc/29/96/67/720299667.db2.gz LYTJAPWNHMACRD-VQTJNVASSA-N 1 0 379.508 2.541 20 0 GFADRO CC(=O)NC[C@H]1c2ncn(C(C)C)c2CCN1c1ncccc1C[NH+]1CCCC1 ZINC001164723853 720317482 /nfs/dbraw/zinc/31/74/82/720317482.db2.gz PNNQIEVMSYVADC-FQEVSTJZSA-N 1 0 396.539 2.695 20 0 GFADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2cc3ccccc3nn2)CC1 ZINC001164831943 720320452 /nfs/dbraw/zinc/32/04/52/720320452.db2.gz SINZWUAPXSJHCF-PMACEKPBSA-N 1 0 379.508 2.541 20 0 GFADRO Cc1csc2cnc(N3CC[C@@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)nc12 ZINC001164832969 720333909 /nfs/dbraw/zinc/33/39/09/720333909.db2.gz VBVVYFCUWAGVKS-IAGOWNOFSA-N 1 0 399.564 2.911 20 0 GFADRO COC(=O)c1ccc2nc(N3CC[C@@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)ncc2c1 ZINC001164728466 720346674 /nfs/dbraw/zinc/34/66/74/720346674.db2.gz VTHMHQCDVGNUFT-WOJBJXKFSA-N 1 0 389.459 2.665 20 0 GFADRO Cc1cc2cccnc2c(N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164826036 720347917 /nfs/dbraw/zinc/34/79/17/720347917.db2.gz KCZYBTDUQNBQBN-PMACEKPBSA-N 1 0 393.535 2.850 20 0 GFADRO CCc1cc(Cl)nc(N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164822773 720350726 /nfs/dbraw/zinc/35/07/26/720350726.db2.gz FFSCYYOHZZOOCC-SJORKVTESA-N 1 0 391.947 2.604 20 0 GFADRO CCc1cc(CC)nc(N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164826032 720353445 /nfs/dbraw/zinc/35/34/45/720353445.db2.gz KCWLRNJWAXELIK-WOJBJXKFSA-N 1 0 385.556 2.513 20 0 GFADRO COc1cc2ncnc(N3CC[C@@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)c2c(OC)c1 ZINC001164729668 720394253 /nfs/dbraw/zinc/39/42/53/720394253.db2.gz VKONNMHDNHYTCV-MOPGFXCFSA-N 1 0 391.475 2.895 20 0 GFADRO CCOC(=O)c1cnc(N2CC[C@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)c(OC)c1 ZINC001164724288 720402850 /nfs/dbraw/zinc/40/28/50/720402850.db2.gz IYWJFIMZRDAVEI-ROUUACIJSA-N 1 0 382.464 2.515 20 0 GFADRO COC(=O)c1cc2c[nH]c(N3CC[C@@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)cc-2n1 ZINC001164726410 720420502 /nfs/dbraw/zinc/42/05/02/720420502.db2.gz BYCRQPTWTLTTLN-MOPGFXCFSA-N 1 0 377.448 2.598 20 0 GFADRO C[C@@H]1CCCN(c2cc(N3CC[C@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)ncn2)C1 ZINC001164735036 720462185 /nfs/dbraw/zinc/46/21/85/720462185.db2.gz VBSMRTILFRLLPB-YZGWKJHDSA-N 1 0 378.524 2.961 20 0 GFADRO Cc1c[nH]c2ncnc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cccn5)[N@H+]4C(C)C)C3)c12 ZINC001164839202 720505413 /nfs/dbraw/zinc/50/54/13/720505413.db2.gz SZBZEVVOEFCGBB-FGTMMUONSA-N 1 0 379.512 2.841 20 0 GFADRO COc1ccc2nc(N3CCc4ncc(C[NH+]5CCCC5)n4CC3)c(C)nc2c1 ZINC001164736149 720586067 /nfs/dbraw/zinc/58/60/67/720586067.db2.gz DWTPQUYUMGXAJO-UHFFFAOYSA-N 1 0 392.507 2.802 20 0 GFADRO CC(=O)Nc1c(C)ccnc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001164835915 720587013 /nfs/dbraw/zinc/58/70/13/720587013.db2.gz CRXRNEJDMVQLER-HSALFYBXSA-N 1 0 396.539 2.923 20 0 GFADRO Cc1noc2ncnc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cccn5)[N@H+]4C(C)C)C3)c12 ZINC001164842193 720628817 /nfs/dbraw/zinc/62/88/17/720628817.db2.gz UIRNPAXLSANPAI-YESZJQIVSA-N 1 0 381.484 2.501 20 0 GFADRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ccnc3ccnn31)CC2 ZINC001164839269 720654126 /nfs/dbraw/zinc/65/41/26/720654126.db2.gz JKVQZRJDAKRPLY-LJQANCHMSA-N 1 0 377.492 2.989 20 0 GFADRO CN(C)c1ccc(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)nn1 ZINC001164841071 720663251 /nfs/dbraw/zinc/66/32/51/720663251.db2.gz PDHWZQCHPUETQF-IBGZPJMESA-N 1 0 381.524 2.803 20 0 GFADRO COc1cnc(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)nc1OC ZINC001164845347 720689717 /nfs/dbraw/zinc/68/97/17/720689717.db2.gz YKQYYUAVGPGGKZ-SFHVURJKSA-N 1 0 398.507 2.754 20 0 GFADRO Cc1cc(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)nc(-c2ccsc2)n1 ZINC001164737914 720777157 /nfs/dbraw/zinc/77/71/57/720777157.db2.gz DLNGVNLWVPHSSS-DLBZAZTESA-N 1 0 394.504 2.645 20 0 GFADRO c1cc2ncnc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c2s1 ZINC001164747303 720811276 /nfs/dbraw/zinc/81/12/76/720811276.db2.gz MZNBCFLNUSXRAP-XYJFISCASA-N 1 0 395.536 2.662 20 0 GFADRO Fc1ccc(Cl)nc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164740264 720817878 /nfs/dbraw/zinc/81/78/78/720817878.db2.gz JXWHFDAVFRELPE-ZMSDIMECSA-N 1 0 390.894 2.845 20 0 GFADRO CC(C)(C)c1ccnc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164741910 720823815 /nfs/dbraw/zinc/82/38/15/720823815.db2.gz PBXGIPGZFPRYAP-GBESFXJTSA-N 1 0 395.555 2.745 20 0 GFADRO COCC[N@@H+]1CCO[C@H]2CN(C(F)(F)c3cnc(Cl)cc3C)CC[C@H]2C1 ZINC001164855408 720856279 /nfs/dbraw/zinc/85/62/79/720856279.db2.gz MADHTCXQYIVBEU-HOCLYGCPSA-N 1 0 389.874 2.762 20 0 GFADRO Cc1cncc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164754063 720880871 /nfs/dbraw/zinc/88/08/71/720880871.db2.gz QUYONDVCKSMVAU-JTHBVZDNSA-N 1 0 393.535 2.935 20 0 GFADRO Clc1nc2ccoc2c(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164868422 721056910 /nfs/dbraw/zinc/05/69/10/721056910.db2.gz OJOZESPMWFXKRA-LSDHHAIUSA-N 1 0 385.855 2.751 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(C(F)(F)c4cccnc4Cl)C[C@@H]3C2)cn1 ZINC001164770981 721074617 /nfs/dbraw/zinc/07/46/17/721074617.db2.gz QRUHUVIPSSBQEF-GJZGRUSLSA-N 1 0 381.858 2.972 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4nnc(Cl)c5ccccc54)C[C@H]3C2)cn1 ZINC001164765326 721086381 /nfs/dbraw/zinc/08/63/81/721086381.db2.gz IYTPONSRAFLKMS-HZPDHXFCSA-N 1 0 382.899 2.975 20 0 GFADRO Cc1nc(Cl)cc(C(F)(F)N2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@H]3C2)n1 ZINC001164761556 721091781 /nfs/dbraw/zinc/09/17/81/721091781.db2.gz BTXFSPRKLLGYES-GJZGRUSLSA-N 1 0 396.873 2.675 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4nccc(Oc5ccccc5)n4)C[C@@H]3C2)cn1 ZINC001164767631 721097575 /nfs/dbraw/zinc/09/75/75/721097575.db2.gz MOMRRTWSEYFZNE-MOPGFXCFSA-N 1 0 390.491 2.961 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4nccc5cc(Cl)ncc54)C[C@@H]3C2)cn1 ZINC001164769922 721106891 /nfs/dbraw/zinc/10/68/91/721106891.db2.gz QFPXOYYJKRFNRM-IRXDYDNUSA-N 1 0 382.899 2.975 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4nccc5cc(Cl)ncc54)C[C@H]3C2)cn1 ZINC001164769920 721107330 /nfs/dbraw/zinc/10/73/30/721107330.db2.gz QFPXOYYJKRFNRM-DLBZAZTESA-N 1 0 382.899 2.975 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4ccc5cc(Cl)cnc5n4)C[C@@H]3C2)cn1 ZINC001164773990 721119533 /nfs/dbraw/zinc/11/95/33/721119533.db2.gz ZQUGRPIZABZEEP-IRXDYDNUSA-N 1 0 382.899 2.975 20 0 GFADRO CSc1nc2c(c(N3C[C@@H]4C[N@@H+](Cc5cnn(C)c5)CC[C@@H]4C3)n1)CCCC2 ZINC001164773235 721122890 /nfs/dbraw/zinc/12/28/90/721122890.db2.gz XGYHOJXOIIZHIG-SJORKVTESA-N 1 0 398.580 2.769 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4cc5c(Cl)ccnc5cn4)C[C@@H]3C2)cn1 ZINC001164773799 721158979 /nfs/dbraw/zinc/15/89/79/721158979.db2.gz ZAEHINMXIYHKLN-HOTGVXAUSA-N 1 0 382.899 2.975 20 0 GFADRO Cc1ccc(-c2ccc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)nn2)o1 ZINC001164880364 721162982 /nfs/dbraw/zinc/16/29/82/721162982.db2.gz WAHJLNADOCPBIV-RBUKOAKNSA-N 1 0 391.475 2.920 20 0 GFADRO Cc1cc2ccncc2nc1N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164877042 721172098 /nfs/dbraw/zinc/17/20/98/721172098.db2.gz OFPNQHARIVKOSE-UXHICEINSA-N 1 0 375.476 2.813 20 0 GFADRO COc1cccc2c1ccnc2N1C[C@@H]2CC[N@H+](Cc3cnn(C)c3)C[C@@H]2C1 ZINC001164767021 721213542 /nfs/dbraw/zinc/21/35/42/721213542.db2.gz JYPWYBQSWHKUJB-ZWKOTPCHSA-N 1 0 377.492 2.935 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4ccc(-c5ccsc5)nn4)C[C@H]3C2)cn1 ZINC001164760089 721231389 /nfs/dbraw/zinc/23/13/89/721231389.db2.gz CEPKFVBIXPSHAC-SJLPKXTDSA-N 1 0 380.521 2.897 20 0 GFADRO CSc1cc(N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)nc(SC)n1 ZINC001164766614 721242081 /nfs/dbraw/zinc/24/20/81/721242081.db2.gz UZKAPZZGHRWULT-LSDHHAIUSA-N 1 0 390.582 2.612 20 0 GFADRO c1ccc(CN2CCc3c(ncnc3N3CC4(C3)CC[N@@H+](CC3CC3)C4)C2)cc1 ZINC001164773447 721285726 /nfs/dbraw/zinc/28/57/26/721285726.db2.gz PMQRJRJLWDZEOZ-UHFFFAOYSA-N 1 0 389.547 2.957 20 0 GFADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3nc(C)ncc3C)C2)C1 ZINC001164779986 721345422 /nfs/dbraw/zinc/34/54/22/721345422.db2.gz XVLCFNTUUHDUHB-NRFANRHFSA-N 1 0 385.512 2.817 20 0 GFADRO Cc1cccc2c1ncnc2N1CC[C@@]2(C1)CCC[C@@H](C[NH+]1CCN(C)CC1)O2 ZINC001164890955 721395723 /nfs/dbraw/zinc/39/57/23/721395723.db2.gz PPSZIVQFTGBSGM-WMZHIEFXSA-N 1 0 395.551 2.704 20 0 GFADRO Cc1cc2cccnc2c(N2CC[C@@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)n1 ZINC001164899917 721443458 /nfs/dbraw/zinc/44/34/58/721443458.db2.gz ZNSZNQCDJQVMTC-NZQKXSOJSA-N 1 0 395.551 2.704 20 0 GFADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(C)ncc1C)CC2 ZINC001164788520 721457415 /nfs/dbraw/zinc/45/74/15/721457415.db2.gz TVLQOQGSLJXCOI-FQEVSTJZSA-N 1 0 388.556 2.827 20 0 GFADRO CNC(=O)c1ccnc(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)c1 ZINC001164796932 721497835 /nfs/dbraw/zinc/49/78/35/721497835.db2.gz ZLTMDNBPULYGFF-UHFFFAOYSA-N 1 0 379.508 2.717 20 0 GFADRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2cc(-c4ccccc4)ccn2)CC3)CC1 ZINC001164794009 721511295 /nfs/dbraw/zinc/51/12/95/721511295.db2.gz AWMZBBULWZBDOL-UHFFFAOYSA-N 1 0 388.519 2.713 20 0 GFADRO Cc1c[nH]c2ncnc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@H]43)c12 ZINC001164794404 721525036 /nfs/dbraw/zinc/52/50/36/721525036.db2.gz CVQBVANBSKPOHM-ZIFCJYIRSA-N 1 0 378.480 2.530 20 0 GFADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)nc3c2CCC3)[C@H]2CCCO[C@H]12 ZINC001164798930 721534185 /nfs/dbraw/zinc/53/41/85/721534185.db2.gz AAVVPBGYGBSHGE-OTWHNJEPSA-N 1 0 399.926 2.882 20 0 GFADRO Cc1nc2[nH]ccc2c(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)n1 ZINC001164805998 721538171 /nfs/dbraw/zinc/53/81/71/721538171.db2.gz NEXRIGMYADIIAQ-GBESFXJTSA-N 1 0 378.480 2.530 20 0 GFADRO CCN(CC)c1cncc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)n1 ZINC001164903470 721545275 /nfs/dbraw/zinc/54/52/75/721545275.db2.gz CWOYBWJJGMBALB-MJGOQNOKSA-N 1 0 385.487 2.804 20 0 GFADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cc(Cl)nc3nc[nH]c32)[C@H]2CCCO[C@@H]12 ZINC001164808400 721550143 /nfs/dbraw/zinc/55/01/43/721550143.db2.gz RWMHWYZXRHPYJB-ZSZQSSIHSA-N 1 0 398.898 2.875 20 0 GFADRO COc1ncc(Cl)c(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)n1 ZINC001164908638 721562721 /nfs/dbraw/zinc/56/27/21/721562721.db2.gz RITZMQUUOFCVHE-DZGCQCFKSA-N 1 0 378.835 2.620 20 0 GFADRO c1nc(COCC2CC2)c2n1CCN(c1cccc(OCC[NH+]3CCCC3)n1)C2 ZINC001164798944 721600038 /nfs/dbraw/zinc/60/00/38/721600038.db2.gz HNXAOJHGZWNKOD-UHFFFAOYSA-N 1 0 397.523 2.700 20 0 GFADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2nncc3cc(Cl)ccc32)CC1 ZINC001165011878 721738719 /nfs/dbraw/zinc/73/87/19/721738719.db2.gz VNRGEOWWXBBZNZ-UHFFFAOYSA-N 1 0 387.915 2.806 20 0 GFADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc(C(N)=O)c(Cl)cn3)C[C@H]21 ZINC001165027190 721802804 /nfs/dbraw/zinc/80/28/04/721802804.db2.gz UDMRONLNYAJXDE-LSBZLQRGSA-N 1 0 399.926 2.966 20 0 GFADRO C[NH+](C)Cc1ccnc(N2CCC(F)(F)[C@]3(CCN(c4cnccn4)C3)C2)c1 ZINC001164914598 721803008 /nfs/dbraw/zinc/80/30/08/721803008.db2.gz DLSGIUSSROLXCY-LJQANCHMSA-N 1 0 388.466 2.675 20 0 GFADRO COC(=O)Cc1cccc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)n1 ZINC001165025570 721810352 /nfs/dbraw/zinc/81/03/52/721810352.db2.gz NTYWJFTXOJGXAN-WMQCIHAUSA-N 1 0 394.519 2.929 20 0 GFADRO CCOC(=O)c1nccnc1N1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165025970 721812013 /nfs/dbraw/zinc/81/20/13/721812013.db2.gz ONYQQZWIUXJPGJ-WDSOQIARSA-N 1 0 395.507 2.785 20 0 GFADRO C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2C(F)(F)c1nc(Cl)cc(Cl)n1 ZINC001164931813 721851302 /nfs/dbraw/zinc/85/13/02/721851302.db2.gz WKKXPXBICYLVTQ-QWRGUYRKSA-N 1 0 380.270 2.543 20 0 GFADRO C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2c1nc2ccccc2nc1N1CCCCC1 ZINC001164923120 721877133 /nfs/dbraw/zinc/87/71/33/721877133.db2.gz IGIISDBCKVCDMQ-NHCUHLMSSA-N 1 0 394.567 2.835 20 0 GFADRO C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2C(F)(F)c1cc(Cl)nc2c1CCC2 ZINC001164933991 721890498 /nfs/dbraw/zinc/89/04/98/721890498.db2.gz NVSOZRWIBUECBM-SJORKVTESA-N 1 0 384.902 2.983 20 0 GFADRO COC(=O)c1ccc(NC(=O)C(C)(C)C)c(N2CCC(C[NH+](C)C)CC2)n1 ZINC001165045238 721947594 /nfs/dbraw/zinc/94/75/94/721947594.db2.gz ODFNWQOSVADSJW-UHFFFAOYSA-N 1 0 376.501 2.631 20 0 GFADRO O=S(=O)(c1ccc(N2CCCC[C@H]2CC[NH+]2CCCC2)nc1)N1CCCC1 ZINC001165047363 721975442 /nfs/dbraw/zinc/97/54/42/721975442.db2.gz FRAROLDGHOANTE-SFHVURJKSA-N 1 0 392.569 2.711 20 0 GFADRO CCOC(=O)c1nc2ccccc2c(N2CC[NH+](CCc3ccccn3)CC2)n1 ZINC001165053790 722008916 /nfs/dbraw/zinc/00/89/16/722008916.db2.gz KZCHGCNAROVUFP-UHFFFAOYSA-N 1 0 391.475 2.566 20 0 GFADRO CON(C)C(=O)c1cccnc1N1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001164955701 722020204 /nfs/dbraw/zinc/02/02/04/722020204.db2.gz NTNPSJFEAYWLGV-UHFFFAOYSA-N 1 0 395.507 2.603 20 0 GFADRO O=C(NCc1cccnc1)[C@@H]1C[C@@]12CCN(c1ccc(C[NH+]3CCCC3)cn1)C2 ZINC001164963071 722034560 /nfs/dbraw/zinc/03/45/60/722034560.db2.gz ZRZSVEIKWIOQPZ-NZQKXSOJSA-N 1 0 391.519 2.605 20 0 GFADRO c1cc(C[N@@H+]2CCOCC3(CCN(c4ccc(C5CC5)nn4)CC3)C2)ccn1 ZINC001164962420 722056576 /nfs/dbraw/zinc/05/65/76/722056576.db2.gz DMUIEOBPOMIOOP-UHFFFAOYSA-N 1 0 379.508 2.868 20 0 GFADRO O=C(c1cscn1)N1CC[C@@H]2[C@H]1CCN2c1ncccc1C[NH+]1CCCC1 ZINC001164965700 722065787 /nfs/dbraw/zinc/06/57/87/722065787.db2.gz LMRNNOFBLLKSDL-QZTJIDSGSA-N 1 0 383.521 2.627 20 0 GFADRO c1cc2c(ncnc2N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)s1 ZINC001164981329 722099470 /nfs/dbraw/zinc/09/94/70/722099470.db2.gz LBNAOUUWPNVRNW-AEFFLSMTSA-N 1 0 381.505 2.814 20 0 GFADRO Cc1nc(Cl)nc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c1C ZINC001164982857 722099566 /nfs/dbraw/zinc/09/95/66/722099566.db2.gz PNFMGMAWKJMHLB-QZTJIDSGSA-N 1 0 387.915 2.869 20 0 GFADRO Fc1cc(Cl)cnc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164975502 722102618 /nfs/dbraw/zinc/10/26/18/722102618.db2.gz CBDMWQCBZKRVTM-MAUKXSAKSA-N 1 0 376.863 2.996 20 0 GFADRO Fc1ccc2ncc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)nc2c1 ZINC001164983762 722112050 /nfs/dbraw/zinc/11/20/50/722112050.db2.gz ZYGMZVGJTSQBTN-UWJYYQICSA-N 1 0 393.466 2.891 20 0 GFADRO c1nc2ccnc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)c2s1 ZINC001164978089 722133148 /nfs/dbraw/zinc/13/31/48/722133148.db2.gz JSZUSNNIUUOVBK-AEFFLSMTSA-N 1 0 381.505 2.814 20 0 GFADRO Fc1cnc2ccc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)nc2c1 ZINC001164977991 722135709 /nfs/dbraw/zinc/13/57/09/722135709.db2.gz JBYFIFZFXWOKQM-LAUBAEHRSA-N 1 0 393.466 2.891 20 0 GFADRO CC(C)c1c(Cl)ncnc1N1CCCn2cnc(COCC[NH+](C)C)c2C1 ZINC001165004055 722257628 /nfs/dbraw/zinc/25/76/28/722257628.db2.gz MEHBUCFTQINURK-UHFFFAOYSA-N 1 0 392.935 2.938 20 0 GFADRO CC(=O)N1c2ccccc2C[C@H]1C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000015773140 210167242 /nfs/dbraw/zinc/16/72/42/210167242.db2.gz IVXMJIBRMFJGHW-QFIPXVFZSA-N 1 0 377.488 2.745 20 0 GFADRO O=C(COC1CC[NH2+]CC1)Nc1cc(-c2cc(F)cc(Br)c2)[nH]n1 ZINC000516764838 532391526 /nfs/dbraw/zinc/39/15/26/532391526.db2.gz NXJZAHNJFUQDQQ-UHFFFAOYSA-N 1 0 397.248 2.685 20 0 GFADRO C[C@@H]1CN(C(=O)Nc2ccn(-c3ccc(Br)cc3)n2)C[C@H]1C[NH3+] ZINC000632947687 532652288 /nfs/dbraw/zinc/65/22/88/532652288.db2.gz GBVPKNQIGYMMOC-VXGBXAGGSA-N 1 0 378.274 2.693 20 0 GFADRO COc1cccc(-n2cc(CNC3CC[NH+](CCC(F)(F)F)CC3)nn2)c1 ZINC000359997743 209211431 /nfs/dbraw/zinc/21/14/31/209211431.db2.gz KJMIIZNXOMHKLS-UHFFFAOYSA-N 1 0 383.418 2.782 20 0 GFADRO C[C@H]([NH2+]C[C@@H]1COC2(CCOCC2)O1)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000359993043 209210968 /nfs/dbraw/zinc/21/09/68/209210968.db2.gz JMRMTIFOMQPYFJ-GVDBMIGSSA-N 1 0 384.517 2.676 20 0 GFADRO CN(Cc1cnn(C)c1)C(=O)N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000359995583 209210750 /nfs/dbraw/zinc/21/07/50/209210750.db2.gz OUYBYHCWXVAIJU-QHAWAJNXSA-N 1 0 381.524 2.862 20 0 GFADRO Brc1cncc(Br)c1CN[C@H]1CC[N@@H+](C2CC2)C1 ZINC000394567249 563529980 /nfs/dbraw/zinc/52/99/80/563529980.db2.gz LVWVXBBXAMBBSB-VIFPVBQESA-N 1 0 375.108 2.933 20 0 GFADRO COc1ccc2c(c1)C[C@H]([NH2+]C[C@@H]1CC(=O)N(C)[C@H]1c1c(C)nn(C)c1C)CC2 ZINC000328622243 209147728 /nfs/dbraw/zinc/14/77/28/209147728.db2.gz IIGVZZDFWLMODG-YCRNBWNJSA-N 1 0 396.535 2.712 20 0 GFADRO CC[C@H]1C[C@H](C(=O)N(C)C[C@@H]2CCC[N@H+](CC)[C@H]2c2cnn(C)c2)CCO1 ZINC000328616395 209146914 /nfs/dbraw/zinc/14/69/14/209146914.db2.gz BPBDHUYLOZFACW-LCLWPZTBSA-N 1 0 376.545 2.857 20 0 GFADRO O=C(c1cccs1)N1CCCC[C@@H]1C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000097205665 211363123 /nfs/dbraw/zinc/36/31/23/211363123.db2.gz GYBBZURALFYPJB-QGZVFWFLSA-N 1 0 375.538 2.830 20 0 GFADRO [NH3+]C[C@@H](NC(=O)c1ccc(I)c(Cl)c1)C(F)(F)F ZINC000401656544 563535487 /nfs/dbraw/zinc/53/54/87/563535487.db2.gz AEBSJIHTPCLFAA-MRVPVSSYSA-N 1 0 392.546 2.564 20 0 GFADRO CNc1cc(I)ccc1C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000411385604 563617426 /nfs/dbraw/zinc/61/74/26/563617426.db2.gz PDQHFTSNADVTPR-NSHDSACASA-N 1 0 399.276 2.547 20 0 GFADRO C[C@@H]1[C@H](CO)CCC[N@@H+]1CC(=O)N(C)Cc1cc(Br)cs1 ZINC000412061298 563645384 /nfs/dbraw/zinc/64/53/84/563645384.db2.gz AFHPJYFHLIPHIO-NEPJUHHUSA-N 1 0 375.332 2.562 20 0 GFADRO CC(C)[C@@H]1C[N@H+](C)CCN1CC(=O)N(C)Cc1cc(Br)cs1 ZINC000436483288 563671804 /nfs/dbraw/zinc/67/18/04/563671804.db2.gz KGFXMXUZCTZVSN-HNNXBMFYSA-N 1 0 388.375 2.741 20 0 GFADRO C[C@H]1C[N@H+](C[C@@H](O)COc2cc(F)cc(Br)c2)CC(C)(C)O1 ZINC000439456042 563726563 /nfs/dbraw/zinc/72/65/63/563726563.db2.gz WZMLEOCMWWLALK-SMDDNHRTSA-N 1 0 376.266 2.827 20 0 GFADRO C[C@@H](CC[S@@](C)=O)[NH2+]Cc1c(Br)cncc1Br ZINC000290953383 563727107 /nfs/dbraw/zinc/72/71/07/563727107.db2.gz VIVQUQVNCJALMI-WNWIJWBNSA-N 1 0 384.137 2.853 20 0 GFADRO CCOc1ccc(S(=O)(=O)N(CC[NH+](C)C)C2CC2)cc1Br ZINC000414459735 563740733 /nfs/dbraw/zinc/74/07/33/563740733.db2.gz ISIQMQWNPFUKFC-UHFFFAOYSA-N 1 0 391.331 2.563 20 0 GFADRO OC[C@H]([NH2+]Cc1ccc(OC(F)F)c(Br)c1)[C@@H]1CCCOC1 ZINC000414567003 563746691 /nfs/dbraw/zinc/74/66/91/563746691.db2.gz XLJCJLNARASFEQ-YPMHNXCESA-N 1 0 380.229 2.928 20 0 GFADRO O=C(c1cccc(I)c1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000007922719 551102496 /nfs/dbraw/zinc/10/24/96/551102496.db2.gz SIUVHNZIGGCIQY-UHFFFAOYSA-N 1 0 393.228 2.649 20 0 GFADRO C[NH+]1CCN(c2ccc(CNC(=O)c3cccc(Br)c3)cn2)CC1 ZINC000011533143 551107240 /nfs/dbraw/zinc/10/72/40/551107240.db2.gz SYBSLMKLXHDJTN-UHFFFAOYSA-N 1 0 389.297 2.526 20 0 GFADRO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)CN1CC[NH+](C(C)C)CC1 ZINC000027422675 551122530 /nfs/dbraw/zinc/12/25/30/551122530.db2.gz VAABTQSUQPYUSM-UHFFFAOYSA-N 1 0 388.295 2.745 20 0 GFADRO C[NH+](C)CCNC(=O)c1ccc(NC(=O)c2ccc(Br)cc2)cc1 ZINC000031465635 551129919 /nfs/dbraw/zinc/12/99/19/551129919.db2.gz RGPLKAJBESUHDD-UHFFFAOYSA-N 1 0 390.281 2.993 20 0 GFADRO Cc1ccc(S(=O)(=O)N[C@H](C)C[NH+]2CCCCC2)c(Br)c1 ZINC000040435910 551134226 /nfs/dbraw/zinc/13/42/26/551134226.db2.gz WZIDCCGSHANQPD-CYBMUJFWSA-N 1 0 375.332 2.910 20 0 GFADRO CCC[NH+]1CCC(NS(=O)(=O)c2ccc(Br)c(C)c2)CC1 ZINC000040418871 551134428 /nfs/dbraw/zinc/13/44/28/551134428.db2.gz FMIFIHAOMGXFJT-UHFFFAOYSA-N 1 0 375.332 2.910 20 0 GFADRO COCC[N@H+](C)CCCNC(=O)COc1ccc(Br)cc1Cl ZINC000041967184 551137272 /nfs/dbraw/zinc/13/72/72/551137272.db2.gz HVVYGVJKWWCAIM-UHFFFAOYSA-N 1 0 393.709 2.566 20 0 GFADRO C[NH+](C)CC(C)(C)CNC(=O)[C@@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000045124683 551145568 /nfs/dbraw/zinc/14/55/68/551145568.db2.gz VGILCBOCSGWZCJ-CYBMUJFWSA-N 1 0 396.329 2.506 20 0 GFADRO C[NH+](C)CC(C)(C)CNC(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000045124685 551145645 /nfs/dbraw/zinc/14/56/45/551145645.db2.gz VGILCBOCSGWZCJ-ZDUSSCGKSA-N 1 0 396.329 2.506 20 0 GFADRO O[C@H](COc1ccc(Br)cc1)CN1CC[NH+](C2CCCC2)CC1 ZINC000045768472 551147977 /nfs/dbraw/zinc/14/79/77/551147977.db2.gz LCZYAJXKIIFGDR-KRWDZBQOSA-N 1 0 383.330 2.749 20 0 GFADRO CC(=O)NCC1CC[NH+](C[C@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000047773375 551153857 /nfs/dbraw/zinc/15/38/57/551153857.db2.gz YTLQKHYIKPVPAD-HNNXBMFYSA-N 1 0 375.296 2.581 20 0 GFADRO CC[NH+]1CCN([C@H](C)CNC(=O)[C@H]2C[C@@H]2c2cccc(Br)c2)CC1 ZINC000049993344 551160178 /nfs/dbraw/zinc/16/01/78/551160178.db2.gz XMFSBTWWPGRVBQ-OLMNPRSZSA-N 1 0 394.357 2.695 20 0 GFADRO CC(C)C[NH+]1CCN(CC(=O)N(C)Cc2ccccc2Br)CC1 ZINC000049969947 551160183 /nfs/dbraw/zinc/16/01/83/551160183.db2.gz CNRWNKAYZZKHHP-UHFFFAOYSA-N 1 0 382.346 2.681 20 0 GFADRO O=C(Cc1ccc(Cl)cc1)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000053610144 551166806 /nfs/dbraw/zinc/16/68/06/551166806.db2.gz VCMIGHNMWBKJOY-UHFFFAOYSA-N 1 0 378.822 2.996 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)COc1ccc(Br)cc1Cl)C1CC1 ZINC000055718744 551174844 /nfs/dbraw/zinc/17/48/44/551174844.db2.gz ODARXJVLIXBHII-CYBMUJFWSA-N 1 0 375.694 2.938 20 0 GFADRO C[NH+](C)CCC1CCN(C(=O)c2cc3c(c(Br)c2)OCO3)CC1 ZINC000056986121 551178821 /nfs/dbraw/zinc/17/88/21/551178821.db2.gz LSPDNCYOEWXBJM-UHFFFAOYSA-N 1 0 383.286 2.982 20 0 GFADRO CC[NH+]1CCC(CNC(=O)c2cc(OC)c(Br)c(OC)c2)CC1 ZINC000057000565 551179097 /nfs/dbraw/zinc/17/90/97/551179097.db2.gz RBFSBOSNJLXQSS-UHFFFAOYSA-N 1 0 385.302 2.928 20 0 GFADRO CC(C)[NH+]1CCC(NC(=O)NCCOc2ccc(Br)cc2)CC1 ZINC000068406093 551192053 /nfs/dbraw/zinc/19/20/53/551192053.db2.gz QAWGROXQXPUGHO-UHFFFAOYSA-N 1 0 384.318 3.000 20 0 GFADRO C[NH+]1CCC(CCNC(=O)c2ccc(I)c(F)c2)CC1 ZINC000104354575 551198304 /nfs/dbraw/zinc/19/83/04/551198304.db2.gz NULMAAVZOLHHBC-UHFFFAOYSA-N 1 0 390.240 2.892 20 0 GFADRO CN1CCC([NH+]2CCC(NC(=O)Cc3ccccc3Br)CC2)CC1 ZINC000104345984 551198606 /nfs/dbraw/zinc/19/86/06/551198606.db2.gz IBWNMDLLURYENE-UHFFFAOYSA-N 1 0 394.357 2.666 20 0 GFADRO CC[NH+]1CCN([C@@H]2CCN(c3ncnc4ccc(Br)cc43)C2)CC1 ZINC000106478884 551199943 /nfs/dbraw/zinc/19/99/43/551199943.db2.gz IHANSVLNBSZFHN-OAHLLOKOSA-N 1 0 390.329 2.609 20 0 GFADRO Cn1ccc(NC(=O)N(CC[NH+](C)C)Cc2ccc(Br)cc2)n1 ZINC000107052406 551201486 /nfs/dbraw/zinc/20/14/86/551201486.db2.gz UOAXBTZGMREANJ-UHFFFAOYSA-N 1 0 380.290 2.778 20 0 GFADRO CC[C@H](C)[N@H+](C)CCNC(=O)c1cc(=O)c2cc(Br)ccc2[nH]1 ZINC000112634247 551206547 /nfs/dbraw/zinc/20/65/47/551206547.db2.gz CVBBLEKTIIMCLL-NSHDSACASA-N 1 0 380.286 2.751 20 0 GFADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)Cc1cccnc1 ZINC000112821062 551207206 /nfs/dbraw/zinc/20/72/06/551207206.db2.gz IHRXQBICVJGFKB-UHFFFAOYSA-N 1 0 376.298 2.977 20 0 GFADRO CN(C)CC[NH+]1CCC(CNC(=O)CCc2ccccc2Br)CC1 ZINC000114142243 551208999 /nfs/dbraw/zinc/20/89/99/551208999.db2.gz WPUCHRVCSRCCIX-UHFFFAOYSA-N 1 0 396.373 2.772 20 0 GFADRO CC[N@@H+]1CC[C@H](CNC(=O)c2ccc(F)cc2I)C1 ZINC000121399945 551233925 /nfs/dbraw/zinc/23/39/25/551233925.db2.gz HBOPVMRSHKWUNM-SNVBAGLBSA-N 1 0 376.213 2.502 20 0 GFADRO O=S(=O)(Cc1ccon1)N(CC[NH+]1CCCC1)Cc1ccc(Cl)cc1 ZINC000121601796 551238340 /nfs/dbraw/zinc/23/83/40/551238340.db2.gz RTZRIKWDSUCBQN-UHFFFAOYSA-N 1 0 383.901 2.756 20 0 GFADRO Fc1cccc(Br)c1CNC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000414972622 563755249 /nfs/dbraw/zinc/75/52/49/563755249.db2.gz MLWFWAYOOKMLAT-ZDUSSCGKSA-N 1 0 384.215 2.514 20 0 GFADRO COC(=O)c1sc2ccccc2c1S(=O)(=O)N1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000123062767 551302680 /nfs/dbraw/zinc/30/26/80/551302680.db2.gz SAKZQSQFTNAXFM-WCQYABFASA-N 1 0 382.507 2.578 20 0 GFADRO CCSc1cc(Cl)ccc1C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000123133481 551303755 /nfs/dbraw/zinc/30/37/55/551303755.db2.gz LECDODZEGGIGLB-CYBMUJFWSA-N 1 0 383.945 2.769 20 0 GFADRO C[C@H]1C[C@H](N(C)CC(=O)N(C)Cc2cc(Br)cs2)CC[N@@H+]1C ZINC000123368832 551306294 /nfs/dbraw/zinc/30/62/94/551306294.db2.gz FXLIVXJXGYXPJA-GXTWGEPZSA-N 1 0 388.375 2.884 20 0 GFADRO O=C(CC[NH+]1CCN(c2ccccn2)CC1)Nc1cccc(Br)c1 ZINC000123667652 551308181 /nfs/dbraw/zinc/30/81/81/551308181.db2.gz LTJSGEXBMJLJSZ-UHFFFAOYSA-N 1 0 389.297 2.995 20 0 GFADRO COc1cc(Br)c(C[NH2+]CCn2cnnc2C2CC2)cc1OC ZINC000124323210 551313419 /nfs/dbraw/zinc/31/34/19/551313419.db2.gz VXRKUFZNLXCZJT-UHFFFAOYSA-N 1 0 381.274 2.725 20 0 GFADRO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]C[C@@]1(CCO)CCOC1 ZINC000125758461 551324019 /nfs/dbraw/zinc/32/40/19/551324019.db2.gz AMRBRPHKDAAPTP-CXAGYDPISA-N 1 0 385.302 2.545 20 0 GFADRO O=C(NC[C@H]1C[C@H](O)C[N@H+]1Cc1ccccc1)c1ccc(Br)cc1 ZINC000126872519 551333913 /nfs/dbraw/zinc/33/39/13/551333913.db2.gz JLQUBSXSLKEPOH-MSOLQXFVSA-N 1 0 389.293 2.814 20 0 GFADRO C[C@H](CCS(C)(=O)=O)[NH2+][C@H](C)CC(=O)Nc1cccc(Br)c1 ZINC000127134087 551337357 /nfs/dbraw/zinc/33/73/57/551337357.db2.gz ISUVYIRCUZKJQR-VXGBXAGGSA-N 1 0 391.331 2.579 20 0 GFADRO COc1cc([C@@H](C)[NH2+]CC[S@](=O)C(C)(C)C)ccc1S(=O)(=O)C(F)F ZINC000127443263 551340925 /nfs/dbraw/zinc/34/09/25/551340925.db2.gz ZPRBVWVVWNYSIJ-YDGUKXNOSA-N 1 0 397.509 2.889 20 0 GFADRO [NH3+][C@@H]1CCCC[C@H]1NC(=O)c1cc(F)c(F)cc1I ZINC000128291108 551348423 /nfs/dbraw/zinc/34/84/23/551348423.db2.gz USXJFNWDKXGPMP-VXGBXAGGSA-N 1 0 380.176 2.569 20 0 GFADRO C[C@H](Cn1cc(Br)cn1)[NH2+]Cc1ccc(CN2CCCC2=O)cc1 ZINC000128525985 551349786 /nfs/dbraw/zinc/34/97/86/551349786.db2.gz SOLDALAFGYHHNP-CQSZACIVSA-N 1 0 391.313 2.946 20 0 GFADRO COCC[NH+]1CCC(N[C@@H](C(=O)OC)c2cc(Cl)cc(Cl)c2)CC1 ZINC000130373393 551364069 /nfs/dbraw/zinc/36/40/69/551364069.db2.gz VTXYDJDDIKRIHH-MRXNPFEDSA-N 1 0 375.296 2.908 20 0 GFADRO CC[NH+]1CCN(CCNC(=O)[C@@H](C)Sc2nc3ccccc3s2)CC1 ZINC000130559891 551366496 /nfs/dbraw/zinc/36/64/96/551366496.db2.gz GGMLTOWORWKMOD-CQSZACIVSA-N 1 0 378.567 2.531 20 0 GFADRO O=C(NC[C@@H]1CCCC[NH2+]1)[C@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1 ZINC000130708785 551368248 /nfs/dbraw/zinc/36/82/48/551368248.db2.gz QLDQHSBZRKJADV-XJKSGUPXSA-N 1 0 384.307 2.856 20 0 GFADRO O=S(=O)(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1c(F)cccc1Cl ZINC000133102027 551381360 /nfs/dbraw/zinc/38/13/60/551381360.db2.gz FTSFNKRDZLUMLZ-CVEARBPZSA-N 1 0 390.908 2.525 20 0 GFADRO CCS(=O)(=O)c1ccc(C[NH2+][C@H](C)Cn2cc(Br)cn2)cc1 ZINC000133170214 551382581 /nfs/dbraw/zinc/38/25/81/551382581.db2.gz XDBOMTUXDOWEIT-GFCCVEGCSA-N 1 0 386.315 2.618 20 0 GFADRO CC[C@@]1(C(=O)N2CCN(C(=O)c3c(Cl)cccc3Cl)CC2)CCC[NH2+]1 ZINC000134431381 551385301 /nfs/dbraw/zinc/38/53/01/551385301.db2.gz JOGPUSCEGPMAIB-SFHVURJKSA-N 1 0 384.307 2.810 20 0 GFADRO CC[C@]1(C(=O)N[C@H](C)c2cc3c(cc2Br)OCCO3)CCC[NH2+]1 ZINC000134427197 551385471 /nfs/dbraw/zinc/38/54/71/551385471.db2.gz JHYJMNNVIQZVKE-PIGZYNQJSA-N 1 0 383.286 2.930 20 0 GFADRO OCC[C@@]1(C[NH2+]Cc2nc(-c3cccc(Br)c3)c[nH]2)CCOC1 ZINC000134434374 551385973 /nfs/dbraw/zinc/38/59/73/551385973.db2.gz MFHPQOVWHKZKGC-KRWDZBQOSA-N 1 0 380.286 2.718 20 0 GFADRO O=C([C@H]1CC12CC[NH2+]CC2)N1CCO[C@H](c2cccc(Br)c2)C1 ZINC000136994649 551390408 /nfs/dbraw/zinc/39/04/08/551390408.db2.gz RFLFUFUZYWXKLL-CVEARBPZSA-N 1 0 379.298 2.739 20 0 GFADRO Cc1cccc(C(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)c1I ZINC000141592897 551394433 /nfs/dbraw/zinc/39/44/33/551394433.db2.gz MUZZXBNUWMMBAG-CYBMUJFWSA-N 1 0 384.261 2.910 20 0 GFADRO CC[NH+]1CCN(CCCNC(=O)[C@H](C)Oc2cccc(Cl)c2Cl)CC1 ZINC000147623441 551398187 /nfs/dbraw/zinc/39/81/87/551398187.db2.gz AEEOEEGAVKWQAF-AWEZNQCLSA-N 1 0 388.339 2.905 20 0 GFADRO CCCC[C@H](C[NH3+])NS(=O)(=O)c1cc(Br)ccc1OCC ZINC000150312759 551400140 /nfs/dbraw/zinc/40/01/40/551400140.db2.gz OAJHWMYHWSUOTA-GFCCVEGCSA-N 1 0 379.320 2.644 20 0 GFADRO CS(=O)(=O)c1cc(C(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)ccc1Cl ZINC000150743047 551401144 /nfs/dbraw/zinc/40/11/44/551401144.db2.gz KDCCEZARVGMYML-OAHLLOKOSA-N 1 0 384.929 2.834 20 0 GFADRO CCO[C@H](CC[NH+](C)C)CNS(=O)(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000150881485 551403423 /nfs/dbraw/zinc/40/34/23/551403423.db2.gz LXROYYBHGVBHIO-CYBMUJFWSA-N 1 0 383.341 2.770 20 0 GFADRO CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)[C@@H]1CCC[NH2+]C1 ZINC000150947125 551404208 /nfs/dbraw/zinc/40/42/08/551404208.db2.gz JOEVTKRNUFTCTI-SNVBAGLBSA-N 1 0 377.794 2.755 20 0 GFADRO C[NH+]1CCN([C@H]2CCCCN(C(=O)c3c(F)cccc3Br)C2)CC1 ZINC000150982763 551404744 /nfs/dbraw/zinc/40/47/44/551404744.db2.gz JIVCPASLWFDLMC-AWEZNQCLSA-N 1 0 398.320 2.830 20 0 GFADRO CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC000150991000 551405378 /nfs/dbraw/zinc/40/53/78/551405378.db2.gz MGYNOABMRYYQOM-HNNXBMFYSA-N 1 0 380.275 2.960 20 0 GFADRO CC(C)COC[C@H](O)C[NH2+][C@@H](C)c1ccc(I)cc1 ZINC000151455257 551413695 /nfs/dbraw/zinc/41/36/95/551413695.db2.gz SHTSFCHIMQVSLE-SWLSCSKDSA-N 1 0 377.266 2.975 20 0 GFADRO Cc1cc(COc2ccc(C(=O)NCC[NH2+]C3CC3)cc2Br)on1 ZINC000151492600 551414734 /nfs/dbraw/zinc/41/47/34/551414734.db2.gz QXBADBUPLXVRGR-UHFFFAOYSA-N 1 0 394.269 2.806 20 0 GFADRO C[N@H+](CCCNC(=O)C(=O)Nc1ccc(Br)nc1)C1CCCCC1 ZINC000151562892 551416553 /nfs/dbraw/zinc/41/65/53/551416553.db2.gz MDWGVDDKWXBWRW-UHFFFAOYSA-N 1 0 397.317 2.553 20 0 GFADRO Cn1cc(Br)cc1C[N@H+](C)CCc1nc2ccccc2c(=O)[nH]1 ZINC000151584867 551416987 /nfs/dbraw/zinc/41/69/87/551416987.db2.gz CBVKSKKDKHGCFJ-UHFFFAOYSA-N 1 0 375.270 2.699 20 0 GFADRO COC(=O)c1ccc(S(=O)(=O)NC2CCC(C[NH+](C)C)CC2)cc1Cl ZINC000151778522 551421021 /nfs/dbraw/zinc/42/10/21/551421021.db2.gz VEQJCANYGYXMTN-UHFFFAOYSA-N 1 0 388.917 2.525 20 0 GFADRO COC(=O)c1ccc(S(=O)(=O)NC2CCC(C[NH+](C)C)CC2)c(Cl)c1 ZINC000151790185 551421585 /nfs/dbraw/zinc/42/15/85/551421585.db2.gz HKHHIHYGWWHZJZ-UHFFFAOYSA-N 1 0 388.917 2.525 20 0 GFADRO COc1ccc(C(=O)NC[C@@H](C)[N@H+](C)C2CC2)cc1I ZINC000152043522 551425542 /nfs/dbraw/zinc/42/55/42/551425542.db2.gz LLSBIELMVHFTOO-SNVBAGLBSA-N 1 0 388.249 2.512 20 0 GFADRO C[C@@H]1C[N@@H+](C[C@H](O)Cn2ccc(-c3ccc(Br)cc3)n2)C[C@H](C)O1 ZINC000152193810 551428017 /nfs/dbraw/zinc/42/80/17/551428017.db2.gz VABCMRCXGMUJSO-VBQJREDUSA-N 1 0 394.313 2.783 20 0 GFADRO O=C(NCCCC[N@H+]1CCC[C@@H]1CO)c1cc(F)c(F)cc1Br ZINC000152206309 551428437 /nfs/dbraw/zinc/42/84/37/551428437.db2.gz RZMBGVRDVGCUMO-LLVKDONJSA-N 1 0 391.256 2.694 20 0 GFADRO C[N@H+](CCN1CCOCC1)Cc1cccc(Br)c1OC(F)F ZINC000152383634 551431882 /nfs/dbraw/zinc/43/18/82/551431882.db2.gz PMKYMDKRFPFYFY-UHFFFAOYSA-N 1 0 379.245 2.815 20 0 GFADRO CN(CC(=O)Nc1c(F)cc(F)cc1Br)C[C@H]1CCC[N@H+](C)C1 ZINC000152400450 551432453 /nfs/dbraw/zinc/43/24/53/551432453.db2.gz QOYRNIGUPHDWCA-NSHDSACASA-N 1 0 390.272 2.939 20 0 GFADRO C[C@H]1C[C@@H]([NH2+]CCCNC(=O)c2cccc(Br)c2)CN1C1CC1 ZINC000152687521 551438188 /nfs/dbraw/zinc/43/81/88/551438188.db2.gz RLDKLVJORZZCKV-XJKSGUPXSA-N 1 0 380.330 2.784 20 0 GFADRO CCSCC[C@@H](C)[NH2+][C@@H](C)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000152800635 551439979 /nfs/dbraw/zinc/43/99/79/551439979.db2.gz SMEQEMKZTMIRHB-CVEARBPZSA-N 1 0 386.583 2.890 20 0 GFADRO COc1cc(C[NH2+][C@@H]2C[C@H]3CC[C@@H]2O3)cc(I)c1OC ZINC000152812671 551440317 /nfs/dbraw/zinc/44/03/17/551440317.db2.gz UVJJQHNQTGNQBQ-RTXFEEFZSA-N 1 0 389.233 2.718 20 0 GFADRO COc1cc(C[NH2+]C[C@@]2(C)CCCO2)cc(I)c1OC ZINC000152885157 551441965 /nfs/dbraw/zinc/44/19/65/551441965.db2.gz UFVURXIMLSYZPD-OAHLLOKOSA-N 1 0 391.249 2.967 20 0 GFADRO CC[C@H]([NH2+]C[C@H]1CCCN1S(C)(=O)=O)c1ccc(Br)cc1 ZINC000152997562 551444387 /nfs/dbraw/zinc/44/43/87/551444387.db2.gz QAOZXFPDFHBLIF-CABCVRRESA-N 1 0 375.332 2.914 20 0 GFADRO CCC[NH+]1CCC(CNC(=O)C(=O)Nc2cc(C)ccc2Br)CC1 ZINC000153223429 551448586 /nfs/dbraw/zinc/44/85/86/551448586.db2.gz IQPIJGZVNMRZOK-UHFFFAOYSA-N 1 0 396.329 2.934 20 0 GFADRO CCN(C)C(=O)CC[NH+]1CCC(C(=O)Nc2ccccc2Br)CC1 ZINC000153392488 551451633 /nfs/dbraw/zinc/45/16/33/551451633.db2.gz MSMFMOMDJWQULI-UHFFFAOYSA-N 1 0 396.329 2.968 20 0 GFADRO Cc1nc(CSc2ccc(C(=O)NC[C@@](C)(O)C[NH+](C)C)cc2)cs1 ZINC000153394575 551451730 /nfs/dbraw/zinc/45/17/30/551451730.db2.gz YCGQWBGGWZQKOR-GOSISDBHSA-N 1 0 379.551 2.786 20 0 GFADRO C[N@H+](CCCNC(=O)C(=O)Nc1cncc(Br)c1)C1CCCCC1 ZINC000153590019 551456004 /nfs/dbraw/zinc/45/60/04/551456004.db2.gz ZTOUIXXLNCZNEC-UHFFFAOYSA-N 1 0 397.317 2.553 20 0 GFADRO CN(C(=O)c1ccc(-n2cc(Br)cn2)cc1)[C@H]1CCC[N@H+](C)C1 ZINC000153716233 551459051 /nfs/dbraw/zinc/45/90/51/551459051.db2.gz WTDJDLZPIXXUNI-INIZCTEOSA-N 1 0 377.286 2.801 20 0 GFADRO C[C@@H]1CN(C(=O)[C@@H]2CCCN2C(=O)c2ccc(Cl)c(Cl)c2)C[C@@H](C)[NH2+]1 ZINC000154046083 551466620 /nfs/dbraw/zinc/46/66/20/551466620.db2.gz UUMOJDJQLAZSIG-HSMVNMDESA-N 1 0 384.307 2.807 20 0 GFADRO COc1cc(C[NH2+][C@H](C)CCCO)cc(I)c1OC ZINC000154102135 551467574 /nfs/dbraw/zinc/46/75/74/551467574.db2.gz JFWLIPLTFHEKNS-SNVBAGLBSA-N 1 0 379.238 2.559 20 0 GFADRO O=C(NCC1CC[NH+](CCO)CC1)c1cc(Cl)ccc1Br ZINC000154202629 551469390 /nfs/dbraw/zinc/46/93/90/551469390.db2.gz ASOIDBNBVTUUGP-UHFFFAOYSA-N 1 0 375.694 2.537 20 0 GFADRO C[C@@H](CS(C)(=O)=O)N(C)Cc1ccnc(-c2ccc(Br)cc2)n1 ZINC000154245493 551470384 /nfs/dbraw/zinc/47/03/84/551470384.db2.gz WSCHTWRLQRAXCR-LBPRGKRZSA-N 1 0 398.326 2.771 20 0 GFADRO COc1cc(OC)c(NC(=O)[C@@H]2CCn3ccnc3C2)cc1Br ZINC000154239451 551470389 /nfs/dbraw/zinc/47/03/89/551470389.db2.gz ZGYUMYCYSBZZPB-SNVBAGLBSA-N 1 0 380.242 2.864 20 0 GFADRO CC[NH+]1CCN([C@@H](C)CNC(=O)[C@H](C)Cc2ccc(Br)cc2)CC1 ZINC000154694986 551481060 /nfs/dbraw/zinc/48/10/60/551481060.db2.gz DVAFZXWUMDDQQB-CVEARBPZSA-N 1 0 396.373 2.770 20 0 GFADRO OCCN1CC[NH+](CCCC[NH2+][C@@H]2CCc3c2cc(Cl)cc3Cl)CC1 ZINC000154696527 551481079 /nfs/dbraw/zinc/48/10/79/551481079.db2.gz KDCOIHBYHIHCIF-LJQANCHMSA-N 1 0 386.367 2.960 20 0 GFADRO C[C@@H](CNC(=O)[C@@H](C)Cc1ccc(Br)cc1)C[NH+]1CCN(C)CC1 ZINC000154726974 551481780 /nfs/dbraw/zinc/48/17/80/551481780.db2.gz YXGSGOFQBNETAW-HOTGVXAUSA-N 1 0 396.373 2.627 20 0 GFADRO C[C@@H]1CN(C(=O)c2cc(I)cc(C(F)(F)F)c2)CC[NH2+]1 ZINC000155149300 551492683 /nfs/dbraw/zinc/49/26/83/551492683.db2.gz YKWMZTMMBSSLGN-MRVPVSSYSA-N 1 0 398.166 2.744 20 0 GFADRO C[C@@H]([NH3+])[C@@H](C)NC(=O)Nc1cc(Br)cnc1OCC(F)(F)F ZINC000415179051 563761886 /nfs/dbraw/zinc/76/18/86/563761886.db2.gz UEMJYQUPXYSDDE-RNFRBKRXSA-N 1 0 385.184 2.642 20 0 GFADRO CSC[C@@](C)(O)CNC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000155629777 551504536 /nfs/dbraw/zinc/50/45/36/551504536.db2.gz RTCNPQPXBFVZPB-SFHVURJKSA-N 1 0 385.961 2.718 20 0 GFADRO Cn1cc(NC(=O)NC2CC[NH+](C(C)(C)C)CC2)cc(Br)c1=O ZINC000156073890 551514206 /nfs/dbraw/zinc/51/42/06/551514206.db2.gz MTEVVWPXYQATGX-UHFFFAOYSA-N 1 0 385.306 2.532 20 0 GFADRO CC(C)(CCS(C)(=O)=O)[NH2+]Cc1cc(Br)cc2c1OCC2 ZINC000156099145 551514700 /nfs/dbraw/zinc/51/47/00/551514700.db2.gz NAXBUGWRGJUXMM-UHFFFAOYSA-N 1 0 376.316 2.687 20 0 GFADRO C[C@H]([NH2+]CCC(=O)N1CCN(c2ncccn2)CC1)c1ccc(Cl)s1 ZINC000156120748 551514948 /nfs/dbraw/zinc/51/49/48/551514948.db2.gz CBMWYJPKGDRABL-ZDUSSCGKSA-N 1 0 379.917 2.581 20 0 GFADRO CC(=O)N1CC[C@@H](C[N@H+](C)C[C@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000156448283 551522784 /nfs/dbraw/zinc/52/27/84/551522784.db2.gz NOCATQDBEMEWMH-ZFWWWQNUSA-N 1 0 375.296 2.533 20 0 GFADRO CC[N@H+](C)C[C@H]1CCN(S(=O)(=O)c2cccc(C)c2Br)C1 ZINC000156470770 551523650 /nfs/dbraw/zinc/52/36/50/551523650.db2.gz RPDOWVAFVZFDNA-CYBMUJFWSA-N 1 0 375.332 2.720 20 0 GFADRO CSCC[C@H]([NH3+])C(=O)Nc1cc(F)c(I)c(F)c1 ZINC000157235176 551535594 /nfs/dbraw/zinc/53/55/94/551535594.db2.gz ZZKHKKQKBSCJQZ-VIFPVBQESA-N 1 0 386.205 2.588 20 0 GFADRO O=C(CN1CCC[C@H]([NH+]2CCCC2)CC1)Nc1ccc(Br)cn1 ZINC000157407811 551537475 /nfs/dbraw/zinc/53/74/75/551537475.db2.gz VSKWPUVVNDPLJZ-HNNXBMFYSA-N 1 0 381.318 2.733 20 0 GFADRO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)c1ccc(I)cc1Cl ZINC000157744186 551542059 /nfs/dbraw/zinc/54/20/59/551542059.db2.gz NJXIJPHBEAHWQS-UFBFGSQYSA-N 1 0 378.641 2.802 20 0 GFADRO C[C@H]1C[C@@H](NC(=O)Nc2cc(F)c(F)cc2I)CC[NH2+]1 ZINC000415243939 563763426 /nfs/dbraw/zinc/76/34/26/563763426.db2.gz WRZQPZKGSKENPH-YUMQZZPRSA-N 1 0 395.191 2.831 20 0 GFADRO COCC[N@H+](C)CCNC(=O)NCCc1cc(Cl)ccc1Br ZINC000158109684 551546737 /nfs/dbraw/zinc/54/67/37/551546737.db2.gz SHKKJIYVXQGNAO-UHFFFAOYSA-N 1 0 392.725 2.522 20 0 GFADRO C[N@H+](C[C@@H](O)COC[C@@H]1CCCO1)CC1(c2ccc(Br)cc2)CC1 ZINC000158097071 551546752 /nfs/dbraw/zinc/54/67/52/551546752.db2.gz RSTXXMVGPAMZOQ-MSOLQXFVSA-N 1 0 398.341 2.969 20 0 GFADRO CC(C)C[N@@H+]1Cc2cccc(NC(=O)CS[C@H]3CCS(=O)(=O)C3)c2C1 ZINC000158283832 551549661 /nfs/dbraw/zinc/54/96/61/551549661.db2.gz HSQZIFDRSURJSQ-HNNXBMFYSA-N 1 0 382.551 2.517 20 0 GFADRO C[C@H](C(=O)NCCCC[NH+]1CCN(C)CC1)c1ccc(Br)cc1 ZINC000158620437 551554410 /nfs/dbraw/zinc/55/44/10/551554410.db2.gz DMINAQRLXBVJTI-HNNXBMFYSA-N 1 0 382.346 2.696 20 0 GFADRO O=C([C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000158692979 551555455 /nfs/dbraw/zinc/55/54/55/551555455.db2.gz HYHFVOMJWLDZTN-SCLBCKFNSA-N 1 0 382.291 2.558 20 0 GFADRO O=C(c1ccc(Cl)c(I)c1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000159001959 551559594 /nfs/dbraw/zinc/55/95/94/551559594.db2.gz IZYNZCGBHBMJHB-CQSZACIVSA-N 1 0 390.652 2.770 20 0 GFADRO O=S(=O)(NCCC[NH+]1CCC(O)CC1)c1csc2ccc(Cl)cc21 ZINC000158999942 551559628 /nfs/dbraw/zinc/55/96/28/551559628.db2.gz ZLRUGMXPGRQXJA-UHFFFAOYSA-N 1 0 388.942 2.680 20 0 GFADRO C[C@@H](CCn1cccn1)[NH2+]Cc1nnc(-c2ccc(Br)cc2)[nH]1 ZINC000159089914 551560784 /nfs/dbraw/zinc/56/07/84/551560784.db2.gz RCLDSBOCFYKANW-LBPRGKRZSA-N 1 0 375.274 2.999 20 0 GFADRO CC(C)[C@@H]([NH3+])CNC(=O)Nc1cc(Br)cnc1OCC(F)(F)F ZINC000415170602 563761818 /nfs/dbraw/zinc/76/18/18/563761818.db2.gz LJRLGNIXGPPFDZ-VIFPVBQESA-N 1 0 399.211 2.890 20 0 GFADRO O=C(NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1csc(Br)c1 ZINC000159180062 551561950 /nfs/dbraw/zinc/56/19/50/551561950.db2.gz CBGJBXMHBHSJBT-OAHLLOKOSA-N 1 0 395.322 2.660 20 0 GFADRO CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000161585911 551596052 /nfs/dbraw/zinc/59/60/52/551596052.db2.gz BVLHOCQWVBQJGO-ZENOOKHLSA-N 1 0 383.945 2.578 20 0 GFADRO O=C(Nc1cc(Cl)ccc1Br)C(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000161710681 551597924 /nfs/dbraw/zinc/59/79/24/551597924.db2.gz NJIWKLSXWJRNQZ-LBPRGKRZSA-N 1 0 398.688 2.514 20 0 GFADRO O=S(=O)(NCCCC[N@H+]1CCC[C@@H]1CO)c1cc(Cl)ccc1Cl ZINC000161730300 551597935 /nfs/dbraw/zinc/59/79/35/551597935.db2.gz DICNMRKSAPAAKE-CYBMUJFWSA-N 1 0 381.325 2.509 20 0 GFADRO Cc1c(C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)cnn1-c1ccc(Br)cc1 ZINC000161968592 551600922 /nfs/dbraw/zinc/60/09/22/551600922.db2.gz OBYFUYQPCUQJNN-KGLIPLIRSA-N 1 0 377.286 2.943 20 0 GFADRO CC(C)[C@H]([NH3+])CCN(C)C(=O)[C@@H]1CSCN1C(=O)c1ccc(Cl)cc1 ZINC000162027632 551602501 /nfs/dbraw/zinc/60/25/01/551602501.db2.gz BZUWCKRBCRKWAH-CVEARBPZSA-N 1 0 383.945 2.687 20 0 GFADRO C[C@@H](Oc1cccc(Br)c1)C(=O)N1CCC(OCCC[NH3+])CC1 ZINC000162227184 551605302 /nfs/dbraw/zinc/60/53/02/551605302.db2.gz MJDRMPUCLDCEOL-CYBMUJFWSA-N 1 0 385.302 2.573 20 0 GFADRO NC(=O)[C@@H]([NH2+][C@H]1CCO[C@]2(CCSC2)C1)c1cccc(Br)c1 ZINC000162287078 551606615 /nfs/dbraw/zinc/60/66/15/551606615.db2.gz MQLRNFIHZCEQGY-OFQRWUPVSA-N 1 0 385.327 2.620 20 0 GFADRO O=S(=O)(Cc1ccon1)NCC[NH2+][C@H]1CCSc2ccc(Cl)cc21 ZINC000162371130 551607149 /nfs/dbraw/zinc/60/71/49/551607149.db2.gz VTWJWXOIZYDHFY-AWEZNQCLSA-N 1 0 387.914 2.574 20 0 GFADRO CS(=O)(=O)c1cc(C(=O)NC[C@H]2CCC[N@@H+]2CC2CCCCC2)cs1 ZINC000162380447 551607825 /nfs/dbraw/zinc/60/78/25/551607825.db2.gz HXIKDXMDSXBNSL-MRXNPFEDSA-N 1 0 384.567 2.926 20 0 GFADRO O=S(=O)(C1CC1)N1CCC([NH2+]Cc2cc(F)cc(C(F)(F)F)c2)CC1 ZINC000162767281 551612747 /nfs/dbraw/zinc/61/27/47/551612747.db2.gz VVOOGPYKMDSPJS-UHFFFAOYSA-N 1 0 380.407 2.891 20 0 GFADRO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)C[NH2+][C@H](C)[C@H]1CCOC1 ZINC000162808848 551613321 /nfs/dbraw/zinc/61/33/21/551613321.db2.gz IOQWYKBUWXTFDG-ZJUUUORDSA-N 1 0 375.252 2.733 20 0 GFADRO O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000164930818 551627816 /nfs/dbraw/zinc/62/78/16/551627816.db2.gz HVGUNXKVKMUDJV-PXAZEXFGSA-N 1 0 387.307 2.644 20 0 GFADRO Cc1cc(N2CCC[C@@H]([NH2+]Cc3ccnn3C)C2=O)ccc1Br ZINC000167188337 551632831 /nfs/dbraw/zinc/63/28/31/551632831.db2.gz FFEAVYZPGGYXTJ-MRXNPFEDSA-N 1 0 377.286 2.776 20 0 GFADRO CNS(=O)(=O)c1cccc([C@H](C)[NH2+]C2CCN(c3cccs3)CC2)c1 ZINC000168441592 551634946 /nfs/dbraw/zinc/63/49/46/551634946.db2.gz LSGYLDWUWBADSC-AWEZNQCLSA-N 1 0 379.551 2.976 20 0 GFADRO COCCC[NH+]1CCC(NC(=O)C(=O)Nc2cc(Cl)ccc2Cl)CC1 ZINC000170708636 551638021 /nfs/dbraw/zinc/63/80/21/551638021.db2.gz HUOCKIWSKVYIRW-UHFFFAOYSA-N 1 0 388.295 2.549 20 0 GFADRO C[NH+](C)CCC(=O)Nc1ccc(NC(=O)c2ccc(Br)cn2)cc1 ZINC000170769258 551639435 /nfs/dbraw/zinc/63/94/35/551639435.db2.gz JGCWBSDGSOAGEK-UHFFFAOYSA-N 1 0 391.269 2.987 20 0 GFADRO COCCC[NH+]1CCC(NC(=O)c2cc(Br)cnc2Cl)CC1 ZINC000171122710 551647768 /nfs/dbraw/zinc/64/77/68/551647768.db2.gz OFKYBMOCXLFASG-UHFFFAOYSA-N 1 0 390.709 2.728 20 0 GFADRO COCC[N@H+](C)CCNC(=O)C1(c2ccc(Br)cc2)CCCC1 ZINC000171138790 551648219 /nfs/dbraw/zinc/64/82/19/551648219.db2.gz IFZKIFHYTPXLSQ-UHFFFAOYSA-N 1 0 383.330 2.955 20 0 GFADRO Cc1c(Br)cccc1NC(=O)C(=O)NC[C@@H](CC(C)C)[NH+](C)C ZINC000171222827 551649997 /nfs/dbraw/zinc/64/99/97/551649997.db2.gz VDTITBIZHGOSKV-CYBMUJFWSA-N 1 0 384.318 2.789 20 0 GFADRO CCn1cc(Br)cc1C(=O)N1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000171258631 551651397 /nfs/dbraw/zinc/65/13/97/551651397.db2.gz YUKVRLHZGSIROR-CYBMUJFWSA-N 1 0 384.318 2.596 20 0 GFADRO C[C@@H]1CCC[C@@H]([NH2+]CC(=O)NCC(=O)Nc2ccccc2Br)[C@@H]1C ZINC000171411166 551654400 /nfs/dbraw/zinc/65/44/00/551654400.db2.gz UAFUUTFEIBKLQC-UMVBOHGHSA-N 1 0 396.329 2.918 20 0 GFADRO O[C@H](C[N@@H+]1CCC[C@H](c2nnc3n2CCC3)C1)c1cccc(Br)c1 ZINC000171620099 551659706 /nfs/dbraw/zinc/65/97/06/551659706.db2.gz UARKHQBIUWYLTM-GOEBONIOSA-N 1 0 391.313 2.900 20 0 GFADRO C[NH+](C)[C@H]1CCCN(C(=O)NCCC(=O)Nc2ccc(Br)cc2)C1 ZINC000171652392 551660447 /nfs/dbraw/zinc/66/04/47/551660447.db2.gz XFMSHXMKEAJHHM-HNNXBMFYSA-N 1 0 397.317 2.513 20 0 GFADRO O=C(NC1CC[NH+](Cc2cccnc2)CC1)c1ccc(Br)cc1O ZINC000172115171 551670984 /nfs/dbraw/zinc/67/09/84/551670984.db2.gz MTIHIXMTYHLOHF-UHFFFAOYSA-N 1 0 390.281 2.944 20 0 GFADRO C[NH+](C)C[C@H]1CCN(C(=O)c2ccc(Cl)c(I)c2)C1 ZINC000172170757 551671908 /nfs/dbraw/zinc/67/19/08/551671908.db2.gz YERKENIDGCRQHW-SNVBAGLBSA-N 1 0 392.668 2.968 20 0 GFADRO Cc1c(C(=O)N2CC[C@@H](C[NH+](C)C)C2)cnn1-c1cccc(Br)c1 ZINC000172172790 551672474 /nfs/dbraw/zinc/67/24/74/551672474.db2.gz JVTOXLOFAWARBU-AWEZNQCLSA-N 1 0 391.313 2.967 20 0 GFADRO CSCC(=O)NC1CC[NH+](CCOc2ccc(Br)cc2)CC1 ZINC000172317042 551676119 /nfs/dbraw/zinc/67/61/19/551676119.db2.gz DESKKRYSGINHTJ-UHFFFAOYSA-N 1 0 387.343 2.772 20 0 GFADRO O=C(CC[N@@H+]1CCC[C@H](C2OCCO2)C1)Nc1cccc(Br)c1 ZINC000172417139 551679000 /nfs/dbraw/zinc/67/90/00/551679000.db2.gz IZKOSSRDSMKGDB-ZDUSSCGKSA-N 1 0 383.286 2.863 20 0 GFADRO C[NH+](C)C[C@@H]1CCN(c2ncnc3ccc(I)cc32)C1 ZINC000172760169 551686485 /nfs/dbraw/zinc/68/64/85/551686485.db2.gz SQGIOVOFTIERQZ-NSHDSACASA-N 1 0 382.249 2.622 20 0 GFADRO COc1cc(Cl)c(S(=O)(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)cc1Cl ZINC000173023294 551692686 /nfs/dbraw/zinc/69/26/86/551692686.db2.gz LIJMGCQXXSKGSP-JTQLQIEISA-N 1 0 379.309 2.765 20 0 GFADRO Cc1ccc(S(=O)(=O)NC2CC[NH+](CC3CC3)CC2)cc1Br ZINC000173047950 551693842 /nfs/dbraw/zinc/69/38/42/551693842.db2.gz QKVXRTLVTMQXFQ-UHFFFAOYSA-N 1 0 387.343 2.910 20 0 GFADRO C[C@@H](CNS(=O)(=O)c1ccc(F)c(Br)c1)C[NH+]1CCCC1 ZINC000173194668 552079008 /nfs/dbraw/zinc/07/90/08/552079008.db2.gz OOGOLXMPENQNCV-NSHDSACASA-N 1 0 379.295 2.598 20 0 GFADRO C[C@@H](C(=O)NCC1([NH+](C)C)CCOCC1)c1ccc(Br)s1 ZINC000173460147 552085709 /nfs/dbraw/zinc/08/57/09/552085709.db2.gz LJLZRIFUSGWOTF-LLVKDONJSA-N 1 0 375.332 2.841 20 0 GFADRO CC[NH+]1CCC(CCNS(=O)(=O)c2ccc(C(=O)OC)cc2Cl)CC1 ZINC000173516276 552086996 /nfs/dbraw/zinc/08/69/96/552086996.db2.gz SGLOJVMUIZTGLO-UHFFFAOYSA-N 1 0 388.917 2.527 20 0 GFADRO COCCC[N@H+](C)CCNC(=O)N[C@H]1CCc2c1cccc2Br ZINC000173582077 552088873 /nfs/dbraw/zinc/08/88/73/552088873.db2.gz GHSQOOPNFAVJAU-INIZCTEOSA-N 1 0 384.318 2.704 20 0 GFADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2ccccc2Br)C1 ZINC000173645265 552089924 /nfs/dbraw/zinc/08/99/24/552089924.db2.gz WZQBQLSYTVELPL-ZDUSSCGKSA-N 1 0 382.302 2.578 20 0 GFADRO [NH3+][C@@H]1CCC[C@H](CNC(=O)C(=O)Nc2ccc(Cl)c(Br)c2)C1 ZINC000415819088 563798038 /nfs/dbraw/zinc/79/80/38/563798038.db2.gz XUBWFDIZEFWMLK-VHSXEESVSA-N 1 0 388.693 2.675 20 0 GFADRO COc1ccc([C@H](C)[NH2+][C@H](C)C(=O)NC[C@@H]2CCCO2)cc1Br ZINC000173654585 552090274 /nfs/dbraw/zinc/09/02/74/552090274.db2.gz PZGVZTOMHQONHM-SCRDCRAPSA-N 1 0 385.302 2.792 20 0 GFADRO CC(C)n1cc(Br)cc1C(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000173825512 552093086 /nfs/dbraw/zinc/09/30/86/552093086.db2.gz AFECWNPNRQTQFQ-AWEZNQCLSA-N 1 0 384.318 2.626 20 0 GFADRO CCC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2cccc(OC(F)(F)F)c2)C1 ZINC000173950543 552095696 /nfs/dbraw/zinc/09/56/96/552095696.db2.gz USJDRGISCPXAMN-ZDUSSCGKSA-N 1 0 380.432 2.938 20 0 GFADRO C[C@H](NC(=O)C1CC[NH+](C)CC1)c1cc2c(cc1Br)OCCO2 ZINC000174112894 552099377 /nfs/dbraw/zinc/09/93/77/552099377.db2.gz TUQAKEDVFMBWBY-NSHDSACASA-N 1 0 383.286 2.739 20 0 GFADRO C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000174202450 552102211 /nfs/dbraw/zinc/10/22/11/552102211.db2.gz IZDSHRVCTMWPSJ-KBPBESRZSA-N 1 0 387.307 2.941 20 0 GFADRO COCCC[N@H+](C)CCNC(=O)NC1(c2ccc(Br)cc2)CC1 ZINC000174479286 552105194 /nfs/dbraw/zinc/10/51/94/552105194.db2.gz JCBPIMYRKUWPAO-UHFFFAOYSA-N 1 0 384.318 2.706 20 0 GFADRO CC(C)C[C@H](CNC(=O)C(=O)Nc1ccc(Br)c(F)c1)[NH+](C)C ZINC000174615342 552106879 /nfs/dbraw/zinc/10/68/79/552106879.db2.gz MIVVYPAQLSSZKR-GFCCVEGCSA-N 1 0 388.281 2.619 20 0 GFADRO COc1ccc(S(=O)(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)cc1Br ZINC000175075323 552115533 /nfs/dbraw/zinc/11/55/33/552115533.db2.gz AZWKDHQGBNKEPT-NEPJUHHUSA-N 1 0 391.331 2.609 20 0 GFADRO COc1cc(NC(=O)NCCN2CCC([NH+](C)C)CC2)ccc1Br ZINC000175456694 552122096 /nfs/dbraw/zinc/12/20/96/552122096.db2.gz LAZODTYOJSBHHD-UHFFFAOYSA-N 1 0 399.333 2.605 20 0 GFADRO C[C@H](NC(=O)NCCN1CCC([NH+](C)C)CC1)c1ccc(Br)cc1 ZINC000175536582 552123970 /nfs/dbraw/zinc/12/39/70/552123970.db2.gz CTRNFTZAZZSXKU-AWEZNQCLSA-N 1 0 397.361 2.835 20 0 GFADRO O=S(=O)(C1CC1)N1CCC([NH2+]Cc2cc(Cl)ccc2OC(F)F)CC1 ZINC000175756472 552127931 /nfs/dbraw/zinc/12/79/31/552127931.db2.gz FPZQUAAUXCGBBD-UHFFFAOYSA-N 1 0 394.871 2.988 20 0 GFADRO COc1ccc(CNC(=O)[C@@H]([NH2+]C2CCOCC2)C(C)C)cc1Br ZINC000175896333 552131219 /nfs/dbraw/zinc/13/12/19/552131219.db2.gz HWAUXQZTCASLSV-KRWDZBQOSA-N 1 0 399.329 2.867 20 0 GFADRO C[NH+]1CCN([C@@H]2CCCCN(C(=O)[C@@H]3SCCc4sccc43)C2)CC1 ZINC000175999687 552133773 /nfs/dbraw/zinc/13/37/73/552133773.db2.gz QELUXFLBGKPIKW-CRAIPNDOSA-N 1 0 379.595 2.707 20 0 GFADRO CCC[N@H+](CC)CCNC(=O)C(=O)Nc1ccc(Br)cc1Cl ZINC000176212047 552136672 /nfs/dbraw/zinc/13/66/72/552136672.db2.gz AWGSRAXTDAHKAL-UHFFFAOYSA-N 1 0 390.709 2.889 20 0 GFADRO O=C(CCc1ccc(Br)cc1)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000176368378 552139463 /nfs/dbraw/zinc/13/94/63/552139463.db2.gz GSVDCHSEMACQJB-KRWDZBQOSA-N 1 0 395.341 2.953 20 0 GFADRO Cc1ccc(C(=O)NC[C@H](C(C)C)[NH+]2CCN(C)CC2)cc1Br ZINC000176826780 552146892 /nfs/dbraw/zinc/14/68/92/552146892.db2.gz LBAHMQSMPRECFY-QGZVFWFLSA-N 1 0 382.346 2.759 20 0 GFADRO Cn1cc(Br)cc(NC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)c1=O ZINC000177980297 552162235 /nfs/dbraw/zinc/16/22/35/552162235.db2.gz YXEJJGGGVLGYKX-CYBMUJFWSA-N 1 0 387.322 2.636 20 0 GFADRO O=C([C@@H]1C[C@H]1c1cccc(Br)c1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000178124399 552164531 /nfs/dbraw/zinc/16/45/31/552164531.db2.gz MYTOYQRAOIUBQO-JCGIZDLHSA-N 1 0 393.325 2.733 20 0 GFADRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2cc3c(c(Br)c2)OCO3)C1 ZINC000178526763 552171823 /nfs/dbraw/zinc/17/18/23/552171823.db2.gz AENCAMBOTLLDTH-RISCZKNCSA-N 1 0 381.270 2.734 20 0 GFADRO C[C@@H]([NH2+]C[C@@H](O)COc1ccc(I)cc1)C1CCC1 ZINC000178519397 552171942 /nfs/dbraw/zinc/17/19/42/552171942.db2.gz YAJMYRCLZHJCAC-BXUZGUMPSA-N 1 0 375.250 2.809 20 0 GFADRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cc3c(c(Br)c2)OCO3)C1 ZINC000178526746 552172185 /nfs/dbraw/zinc/17/21/85/552172185.db2.gz AENCAMBOTLLDTH-BXUZGUMPSA-N 1 0 381.270 2.734 20 0 GFADRO C[C@H]([NH3+])CCNC(=O)c1nn(-c2cccc(Br)c2)c2c1CCC2 ZINC000178703054 552173846 /nfs/dbraw/zinc/17/38/46/552173846.db2.gz KHHVOUSTXZNOFN-NSHDSACASA-N 1 0 377.286 2.591 20 0 GFADRO C[C@@H]([NH3+])C1CCN(C(=O)c2ccc(S(=O)(=O)c3ccccc3)s2)CC1 ZINC000178808442 552176004 /nfs/dbraw/zinc/17/60/04/552176004.db2.gz YVYYFZACTJSAPP-CYBMUJFWSA-N 1 0 378.519 2.780 20 0 GFADRO C[C@@H]([NH3+])C1CCN(C(=O)c2cnn(-c3cccc(Br)c3)c2)CC1 ZINC000178815578 552176249 /nfs/dbraw/zinc/17/62/49/552176249.db2.gz UALABYKNVOYUFM-GFCCVEGCSA-N 1 0 377.286 2.834 20 0 GFADRO C[C@@H]([NH3+])C1CCN(C(=O)[C@@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)CC1 ZINC000178842190 552177063 /nfs/dbraw/zinc/17/70/63/552177063.db2.gz WQPSHTJXHPTSEU-RISCZKNCSA-N 1 0 384.307 2.932 20 0 GFADRO O=C(/C=C/c1ccc(Cl)s1)N1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000179034861 552182960 /nfs/dbraw/zinc/18/29/60/552182960.db2.gz FPVZVEIWZSSKRB-AQGQNPDFSA-N 1 0 381.929 2.522 20 0 GFADRO COC(=O)c1cc(Br)ccc1NC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000179210928 552186563 /nfs/dbraw/zinc/18/65/63/552186563.db2.gz NJODEUNISFTPKO-GFCCVEGCSA-N 1 0 382.258 2.548 20 0 GFADRO CCCS(=O)(=O)N1CCC([NH2+][C@@H](C)c2ncc(Br)s2)CC1 ZINC000179204137 552186665 /nfs/dbraw/zinc/18/66/65/552186665.db2.gz ZMWXQHDEXWEJOU-JTQLQIEISA-N 1 0 396.376 2.760 20 0 GFADRO C[C@H](Cc1ccc(Br)cc1)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000179257694 552188402 /nfs/dbraw/zinc/18/84/02/552188402.db2.gz AVFUWHHSBWYLDC-WBVHZDCISA-N 1 0 395.341 2.808 20 0 GFADRO C[N@H+](C[C@@H](O)COc1ccccc1F)[C@@H](CO)c1cccc(Br)c1 ZINC000179738142 552201993 /nfs/dbraw/zinc/20/19/93/552201993.db2.gz WNCYJLSKVKGALL-WBVHZDCISA-N 1 0 398.272 2.993 20 0 GFADRO C[N@H+](CCCO)C1CCN(C(=O)[C@H]2C[C@@H]2c2cccc(Br)c2)CC1 ZINC000179760520 552202084 /nfs/dbraw/zinc/20/20/84/552202084.db2.gz WVZQQZRDSRQFDF-MSOLQXFVSA-N 1 0 395.341 2.858 20 0 GFADRO COc1cc(NC(=O)NC[C@H]2CCC[N@H+](C)C2)cc(OC)c1Br ZINC000179913972 552207107 /nfs/dbraw/zinc/20/71/07/552207107.db2.gz WUARFEWNFRZUOM-LLVKDONJSA-N 1 0 386.290 2.930 20 0 GFADRO C[C@@H]([NH2+]C[C@H](c1ccccc1Cl)N(C)C)c1ccc(S(N)(=O)=O)cc1 ZINC000179973100 552208629 /nfs/dbraw/zinc/20/86/29/552208629.db2.gz JGVHXQMDKMUKJB-FZKQIMNGSA-N 1 0 381.929 2.941 20 0 GFADRO Cc1cc(Br)ccc1CC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000180012097 552209795 /nfs/dbraw/zinc/20/97/95/552209795.db2.gz FMIKJAMJCOBXRB-QGZVFWFLSA-N 1 0 383.330 2.773 20 0 GFADRO Cc1cc([N-]S(=O)(=O)c2ccc(CCNC(=O)C(C)(C)C)s2)ccn1 ZINC000180062389 552211659 /nfs/dbraw/zinc/21/16/59/552211659.db2.gz NGWCGWZTBVOLCB-UHFFFAOYSA-N 1 0 381.523 2.957 20 0 GFADRO CC(C)COC[C@H](O)C[NH2+][C@H](C)c1cc2c(cc1Br)OCCO2 ZINC000180460654 552226816 /nfs/dbraw/zinc/22/68/16/552226816.db2.gz CUHPRCZILRUBEF-CHWSQXEVSA-N 1 0 388.302 2.904 20 0 GFADRO C[C@H](C[NH2+][C@H](C)c1cc2c(cc1Br)OCCO2)CS(C)(=O)=O ZINC000180478371 552227635 /nfs/dbraw/zinc/22/76/35/552227635.db2.gz XZCCAIAJDAJGRR-GHMZBOCLSA-N 1 0 392.315 2.552 20 0 GFADRO CCSc1ccccc1[C@@H](C)[NH2+]CCS(=O)(=O)NC[C@@H]1CCCCO1 ZINC000180742604 552234348 /nfs/dbraw/zinc/23/43/48/552234348.db2.gz BDQORXNGTYINBV-CVEARBPZSA-N 1 0 386.583 2.938 20 0 GFADRO CSc1ccc([C@@H](C)[NH2+]CCS(=O)(=O)NC[C@@H]2CCCCO2)cc1F ZINC000180745963 552234420 /nfs/dbraw/zinc/23/44/20/552234420.db2.gz JSMNWHDLCHQFIX-HIFRSBDPSA-N 1 0 390.546 2.687 20 0 GFADRO C[C@H](Cn1cc(Br)cn1)[NH2+]CCCC(=O)N1CCc2ccccc21 ZINC000180759492 552235090 /nfs/dbraw/zinc/23/50/90/552235090.db2.gz MGGHUHMOBQTTFB-CQSZACIVSA-N 1 0 391.313 2.993 20 0 GFADRO CCS(=O)(=O)C[C@H](C)[NH2+]C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000180827480 552236945 /nfs/dbraw/zinc/23/69/45/552236945.db2.gz OGNMCLDTOWAGFZ-ZDUSSCGKSA-N 1 0 376.925 2.856 20 0 GFADRO CCc1ccc([C@H](C)[NH2+]Cc2ccccc2S(=O)(=O)N(C)CCO)s1 ZINC000180886596 552238881 /nfs/dbraw/zinc/23/88/81/552238881.db2.gz FENVOVVQJQEHFR-AWEZNQCLSA-N 1 0 382.551 2.774 20 0 GFADRO CN(CC[N@H+](C)C1CCN(C)CC1)Cc1cc2c(cc1Br)OCO2 ZINC000180943925 552241517 /nfs/dbraw/zinc/24/15/17/552241517.db2.gz UYGMVLRTCQCDRT-UHFFFAOYSA-N 1 0 398.345 2.636 20 0 GFADRO CC(C)CS(=O)(=O)N1CCC([NH2+]Cc2ccccc2OC(F)F)CC1 ZINC000181114458 552246807 /nfs/dbraw/zinc/24/68/07/552246807.db2.gz IXNUEMQHAYOEBQ-UHFFFAOYSA-N 1 0 376.469 2.828 20 0 GFADRO C[C@H]1C[C@@H]([NH2+]CCOCCS(C)(=O)=O)c2cccc(Br)c21 ZINC000181145750 552248553 /nfs/dbraw/zinc/24/85/53/552248553.db2.gz VAACZWDXSQIXNH-SMDDNHRTSA-N 1 0 376.316 2.648 20 0 GFADRO CS(=O)(=O)CC1(C[NH2+]C2CCN(Cc3c(F)cccc3Cl)CC2)CC1 ZINC000181228121 552250883 /nfs/dbraw/zinc/25/08/83/552250883.db2.gz ILDTTZBMBPRYMJ-UHFFFAOYSA-N 1 0 388.936 2.858 20 0 GFADRO CC1(CNC(=O)c2cc(F)c(F)cc2I)CC[NH2+]CC1 ZINC000181281670 552252374 /nfs/dbraw/zinc/25/23/74/552252374.db2.gz XEDCMKCCGQEKOI-UHFFFAOYSA-N 1 0 394.203 2.689 20 0 GFADRO COC(=O)[C@@H](c1ccc(Cl)c(Cl)c1)N(C)CCC[NH+]1CCN(C)CC1 ZINC000181374131 552254879 /nfs/dbraw/zinc/25/48/79/552254879.db2.gz AOJOHOWWZUFFDS-QGZVFWFLSA-N 1 0 388.339 2.777 20 0 GFADRO C[C@H]([NH2+]CCCNS(C)(=O)=O)c1cc2cc(Br)ccc2o1 ZINC000181431753 552256370 /nfs/dbraw/zinc/25/63/70/552256370.db2.gz RIBVVZFDTLZIFA-JTQLQIEISA-N 1 0 375.288 2.785 20 0 GFADRO C[C@@H]([NH2+]Cc1ccc(Br)cc1N1CCOCC1)c1cnn(C)c1 ZINC000181458116 552257276 /nfs/dbraw/zinc/25/72/76/552257276.db2.gz KQYWUCFXFMVURT-CYBMUJFWSA-N 1 0 379.302 2.870 20 0 GFADRO C[C@H]([NH2+]CCN(C)S(=O)(=O)c1cccs1)c1ccc(F)cc1N(C)C ZINC000181501997 552258366 /nfs/dbraw/zinc/25/83/66/552258366.db2.gz OVGFPQBUJUPQDZ-ZDUSSCGKSA-N 1 0 385.530 2.925 20 0 GFADRO C[C@H]([NH2+]C[C@@H](O)CS(=O)(=O)c1cccs1)c1ccc2ccccc2n1 ZINC000181636438 552263422 /nfs/dbraw/zinc/26/34/22/552263422.db2.gz JIUHPRJMGLHQJM-DZGCQCFKSA-N 1 0 376.503 2.782 20 0 GFADRO Cc1ccc2c(c1)OCCC[C@@H]2[NH2+]C[C@@H](O)CS(=O)(=O)c1cccs1 ZINC000181639291 552263657 /nfs/dbraw/zinc/26/36/57/552263657.db2.gz XVRFIFIFPPNKIZ-ZBFHGGJFSA-N 1 0 381.519 2.695 20 0 GFADRO C[C@H]([NH2+]C[C@H]1CCN(S(C)(=O)=O)C1)c1cc(Br)ccc1F ZINC000181677868 552265401 /nfs/dbraw/zinc/26/54/01/552265401.db2.gz CITREOJLQCMYIC-WDEREUQCSA-N 1 0 379.295 2.520 20 0 GFADRO CCOC(=O)COc1c(Br)cc(C)cc1C[N@H+](CCO)C1CC1 ZINC000182082500 552274655 /nfs/dbraw/zinc/27/46/55/552274655.db2.gz JMYQWXIOHXWTGF-UHFFFAOYSA-N 1 0 386.286 2.656 20 0 GFADRO COC(=O)CC[N@@H+]1CCN(C[C@H](O)c2ccc(Cl)cc2Cl)[C@@H](C)C1 ZINC000182120731 552275528 /nfs/dbraw/zinc/27/55/28/552275528.db2.gz DSWPEHKTULCHGR-LRDDRELGSA-N 1 0 375.296 2.596 20 0 GFADRO COC(=O)CC[N@@H+]1CCN(Cc2cn3cc(Cl)cc(Cl)c3n2)[C@H](C)C1 ZINC000182118147 552275615 /nfs/dbraw/zinc/27/56/15/552275615.db2.gz AQYQSGAVXSICEQ-GFCCVEGCSA-N 1 0 385.295 2.710 20 0 GFADRO COC(=O)CC[N@@H+]1CCN(CCOc2cc(Cl)ccc2Cl)[C@@H](C)C1 ZINC000182106907 552275852 /nfs/dbraw/zinc/27/58/52/552275852.db2.gz CBRGAOJVNKNMEX-ZDUSSCGKSA-N 1 0 375.296 2.941 20 0 GFADRO C[C@H](CCNC(=O)C(=O)Nc1ccc(Br)cc1)[NH+]1CCCCC1 ZINC000182144733 552276573 /nfs/dbraw/zinc/27/65/73/552276573.db2.gz GIFRWNJZDFOCHQ-CYBMUJFWSA-N 1 0 382.302 2.768 20 0 GFADRO NC(=O)c1cccc(C[NH2+][C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)c1 ZINC000182426253 552283783 /nfs/dbraw/zinc/28/37/83/552283783.db2.gz MLVXQWMPIODPJA-MRXNPFEDSA-N 1 0 378.259 2.987 20 0 GFADRO CCOC(=O)C[C@@H](C)[N@H+](C)CC(=O)N[C@@H](C)c1ccc(Br)cc1 ZINC000182629123 552289331 /nfs/dbraw/zinc/28/93/31/552289331.db2.gz ZKGPVPSWGIPULO-OLZOCXBDSA-N 1 0 385.302 2.900 20 0 GFADRO Cc1cc([C@@H](C)[NH2+]CC(=O)Nc2ccc(C)c(S(N)(=O)=O)c2)c(C)s1 ZINC000182754376 552292300 /nfs/dbraw/zinc/29/23/00/552292300.db2.gz JJRYXEZBUOKVRD-GFCCVEGCSA-N 1 0 381.523 2.610 20 0 GFADRO CCC(CC)[C@@H](CNC(=O)C(=O)Nc1cnc(Br)c(C)c1)[NH+](C)C ZINC000182766373 552292854 /nfs/dbraw/zinc/29/28/54/552292854.db2.gz JZWNLLMHZFDTHH-CQSZACIVSA-N 1 0 399.333 2.574 20 0 GFADRO CCS(=O)(=O)C[C@@H](C)[NH2+][C@@H]1CCCN(Cc2ccc(F)cc2Cl)C1 ZINC000182941325 552296789 /nfs/dbraw/zinc/29/67/89/552296789.db2.gz OHMMXGSUBLVRJS-CZUORRHYSA-N 1 0 376.925 2.856 20 0 GFADRO CCNS(=O)(=O)[C@H]1CC[N@H+](CCSc2ccnc3cc(Cl)ccc32)C1 ZINC000183015826 552298793 /nfs/dbraw/zinc/29/87/93/552298793.db2.gz YYPRZIBMAVFYGU-AWEZNQCLSA-N 1 0 399.969 2.994 20 0 GFADRO CCS(=O)(=O)C[C@@H](C)[NH2+][C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000183113575 552300949 /nfs/dbraw/zinc/30/09/49/552300949.db2.gz PDCHYEVEHIZANX-ZYHUDNBSSA-N 1 0 399.866 2.745 20 0 GFADRO COc1ccc(C(=O)NC2CC[NH+](C3CCCC3)CC2)nc1Br ZINC000183233185 552303266 /nfs/dbraw/zinc/30/32/66/552303266.db2.gz LWWAHXGPULRMII-UHFFFAOYSA-N 1 0 382.302 2.990 20 0 GFADRO C[C@@H](CCNS(=O)(=O)c1ccc(OCC(F)F)cc1)[NH+]1CCCCC1 ZINC000183294257 552304891 /nfs/dbraw/zinc/30/48/91/552304891.db2.gz HREYWMAOUKQHSX-AWEZNQCLSA-N 1 0 376.469 2.873 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)C(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000183346161 552306837 /nfs/dbraw/zinc/30/68/37/552306837.db2.gz WHQQLQFSVQGJOR-UHFFFAOYSA-N 1 0 396.329 2.934 20 0 GFADRO Cc1cc2cc(C(=O)N[C@@H](C)CN3CC[NH+](C)CC3)oc2c(Br)c1 ZINC000183434588 552309241 /nfs/dbraw/zinc/30/92/41/552309241.db2.gz PFTFTYUQJCMOKT-ZDUSSCGKSA-N 1 0 394.313 2.869 20 0 GFADRO O=S1(=O)CCCN1c1cccc(C[NH2+]Cc2cncc(Br)c2)c1 ZINC000183768569 552319466 /nfs/dbraw/zinc/31/94/66/552319466.db2.gz ROZKDSMUAXYQOZ-UHFFFAOYSA-N 1 0 396.310 2.674 20 0 GFADRO O=C(CC[N@@H+]1CCOCC2(CCOCC2)C1)Nc1cccc(Br)c1 ZINC000184127341 552327893 /nfs/dbraw/zinc/32/78/93/552327893.db2.gz MWFHREDLNNUGMX-UHFFFAOYSA-N 1 0 397.313 2.907 20 0 GFADRO CN1CC[NH+](CCC(C)(C)NC(=O)COc2cc(Cl)cc(Cl)c2)CC1 ZINC000184176487 552329018 /nfs/dbraw/zinc/32/90/18/552329018.db2.gz MMHIGIGBQHKEHE-UHFFFAOYSA-N 1 0 388.339 2.905 20 0 GFADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)/C=C/c1csc(Br)c1 ZINC000184331601 552332610 /nfs/dbraw/zinc/33/26/10/552332610.db2.gz LSNCXAWEFDKKPS-OOPCZODUSA-N 1 0 386.359 2.666 20 0 GFADRO C[C@H](Cc1ccc(Br)cc1)C(=O)N[C@@H](C)CC[NH+]1CCN(C)CC1 ZINC000184368929 552333866 /nfs/dbraw/zinc/33/38/66/552333866.db2.gz VUUXHFXTWHLRJL-CVEARBPZSA-N 1 0 396.373 2.770 20 0 GFADRO CC[N@H+](CCO)CCNC(=O)Nc1ncc(Cc2ccccc2Cl)s1 ZINC000184589834 552339183 /nfs/dbraw/zinc/33/91/83/552339183.db2.gz NWATXEJYVWQJGG-UHFFFAOYSA-N 1 0 382.917 2.823 20 0 GFADRO Cc1cc(Br)c(F)cc1NC(=O)N[C@H](C)CN1CC[NH+](C)CC1 ZINC000184816173 552344792 /nfs/dbraw/zinc/34/47/92/552344792.db2.gz DTUXEPWHOCUVKI-GFCCVEGCSA-N 1 0 387.297 2.654 20 0 GFADRO NC(=O)[C@H]1CCCC[C@@H]1[NH2+]Cc1nnc(-c2ccccc2Br)o1 ZINC000184835587 552345375 /nfs/dbraw/zinc/34/53/75/552345375.db2.gz PWYZPUXVUKBSPC-AAEUAGOBSA-N 1 0 379.258 2.633 20 0 GFADRO Cc1c(Br)scc1C(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000184830149 552345470 /nfs/dbraw/zinc/34/54/70/552345470.db2.gz ZQMBIRQZWUTGOH-GFCCVEGCSA-N 1 0 375.332 2.906 20 0 GFADRO Cc1ccc(S(=O)(=O)NCC[NH2+]Cc2sccc2Br)cc1 ZINC000185025535 552351419 /nfs/dbraw/zinc/35/14/19/552351419.db2.gz BFJPGYYOCMXRRO-UHFFFAOYSA-N 1 0 389.340 2.887 20 0 GFADRO CCN1CC[NH+](C[C@H](C)CNC(=O)c2csc(Br)c2C)CC1 ZINC000185051791 552352374 /nfs/dbraw/zinc/35/23/74/552352374.db2.gz IZZSQXINAUPTAQ-GFCCVEGCSA-N 1 0 388.375 2.822 20 0 GFADRO COc1cc(Br)c(C[NH2+]CCCCCS(C)(=O)=O)c(OC)c1 ZINC000185218553 552357450 /nfs/dbraw/zinc/35/74/50/552357450.db2.gz BMKYEKFCJHOFCW-UHFFFAOYSA-N 1 0 394.331 2.771 20 0 GFADRO O=C(NCCCC[NH+]1CCOCC1)N1Cc2cccc(Br)c2C1 ZINC000185577781 552366050 /nfs/dbraw/zinc/36/60/50/552366050.db2.gz WLNLTDYFINPBNF-UHFFFAOYSA-N 1 0 382.302 2.587 20 0 GFADRO CS[C@@H](CO)[C@@H](C)[NH2+]Cc1cc(Br)cc(Br)c1N ZINC000185838100 552371903 /nfs/dbraw/zinc/37/19/03/552371903.db2.gz ZZUKVUUOWLUABU-HQJQHLMTSA-N 1 0 398.164 2.996 20 0 GFADRO CC[C@@H]([NH2+]C[C@H]1CCCN(S(C)(=O)=O)C1)c1nc(C(F)(F)F)cs1 ZINC000185923701 552374486 /nfs/dbraw/zinc/37/44/86/552374486.db2.gz DMZQPPRFOGXNBH-GHMZBOCLSA-N 1 0 385.477 2.874 20 0 GFADRO Cc1ccc(S(=O)(=O)C[C@@H](C)[NH2+]CCCNC(=O)c2cccs2)cc1 ZINC000186031866 552377651 /nfs/dbraw/zinc/37/76/51/552377651.db2.gz UOGLHXPEQOROHD-OAHLLOKOSA-N 1 0 380.535 2.628 20 0 GFADRO COCCNS(=O)(=O)c1cccc(C[NH2+][C@@H](C)c2sccc2OC)c1 ZINC000186170476 552380614 /nfs/dbraw/zinc/38/06/14/552380614.db2.gz YDYTZRSBGQVNKB-ZDUSSCGKSA-N 1 0 384.523 2.532 20 0 GFADRO O=S1(=O)CC[C@@H]([NH2+][C@H]2CCN(c3ncccc3Cl)C2)c2ccccc21 ZINC000186246770 552382889 /nfs/dbraw/zinc/38/28/89/552382889.db2.gz CMUINZXJFGAPCL-XJKSGUPXSA-N 1 0 377.897 2.822 20 0 GFADRO O=S(=O)(NC1CC[NH+](CC2CC2)CC1)c1ccc(Br)cc1F ZINC000186368421 552386295 /nfs/dbraw/zinc/38/62/95/552386295.db2.gz IALORRWAQDNWTE-UHFFFAOYSA-N 1 0 391.306 2.741 20 0 GFADRO CCOc1cc(Br)c(CC(=O)N[C@H]2C[NH2+]CC[C@@H]2C)cc1OCC ZINC000186670689 552394025 /nfs/dbraw/zinc/39/40/25/552394025.db2.gz FIXHJYBSBFSGGN-WFASDCNBSA-N 1 0 399.329 2.903 20 0 GFADRO CN(CC(=O)N(C)Cc1cc(Br)cs1)CC1([NH+](C)C)CCC1 ZINC000187001011 552403658 /nfs/dbraw/zinc/40/36/58/552403658.db2.gz GREDKKRLGZBVJY-UHFFFAOYSA-N 1 0 388.375 2.885 20 0 GFADRO CCOc1cc(C[NH2+][C@@H](C)C2CCS(=O)(=O)CC2)ccc1OC(F)F ZINC000187025334 552404204 /nfs/dbraw/zinc/40/42/04/552404204.db2.gz GHZXEYNVYKXEAZ-LBPRGKRZSA-N 1 0 377.453 2.990 20 0 GFADRO C[C@H](NC(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1)c1ccc(Br)cc1 ZINC000187149700 552407685 /nfs/dbraw/zinc/40/76/85/552407685.db2.gz RYHPAHHMLYDXHM-KGLIPLIRSA-N 1 0 398.345 2.997 20 0 GFADRO Cc1cc(Br)cc(S(=O)(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)c1 ZINC000187541361 552417987 /nfs/dbraw/zinc/41/79/87/552417987.db2.gz ZUDWOPRSNPACDJ-BBRMVZONSA-N 1 0 387.343 2.862 20 0 GFADRO C[C@@H]1CN(Cc2cc(Br)ccc2OC(F)F)CC[N@@H+]1CCO ZINC000187647776 552420928 /nfs/dbraw/zinc/42/09/28/552420928.db2.gz RSBGZSKDKXDNAI-LLVKDONJSA-N 1 0 379.245 2.549 20 0 GFADRO Cc1cc(Br)cc(NC(=O)C(=O)NCCC[NH+]2CCCCC2)c1 ZINC000188052716 552432749 /nfs/dbraw/zinc/43/27/49/552432749.db2.gz BAHPSCUEVQSCKB-UHFFFAOYSA-N 1 0 382.302 2.688 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)NC[C@@H](C)C[NH+]2CCCC2)cc1Br ZINC000188072826 552433418 /nfs/dbraw/zinc/43/34/18/552433418.db2.gz FYKBAVKPZILQTK-GFCCVEGCSA-N 1 0 396.329 2.853 20 0 GFADRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)Cc1ccc(F)cc1Br ZINC000188172128 552438195 /nfs/dbraw/zinc/43/81/95/552438195.db2.gz KVTVYTCXPOPNJP-OAHLLOKOSA-N 1 0 387.293 2.700 20 0 GFADRO COc1ccc(Br)c(S(=O)(=O)N[C@@H](C)C[NH+]2CCCCC2)c1 ZINC000188216010 552439267 /nfs/dbraw/zinc/43/92/67/552439267.db2.gz RQRQITZISUSBBA-LBPRGKRZSA-N 1 0 391.331 2.610 20 0 GFADRO O=C(c1cc(Cl)ccc1I)N1CC[NH+]2CCC1CC2 ZINC000188632293 552450883 /nfs/dbraw/zinc/45/08/83/552450883.db2.gz GIVNLGCFUBEMKW-UHFFFAOYSA-N 1 0 390.652 2.865 20 0 GFADRO CCNC(=O)C(C)(C)C[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000188757403 552454430 /nfs/dbraw/zinc/45/44/30/552454430.db2.gz HQEINDYJERBEJA-UHFFFAOYSA-N 1 0 398.345 2.538 20 0 GFADRO CCN(C)C(=O)[C@@H](C)[NH2+]Cc1cn(-c2ccc(Br)cc2)nc1C ZINC000188887988 552458101 /nfs/dbraw/zinc/45/81/01/552458101.db2.gz QLSBMEFDDQPVCP-CYBMUJFWSA-N 1 0 379.302 2.900 20 0 GFADRO COc1cc(Br)ccc1CNC(=O)[C@H]([NH2+]C1CCOCC1)C(C)C ZINC000188885830 552458176 /nfs/dbraw/zinc/45/81/76/552458176.db2.gz MECLMYPIHCRWMB-QGZVFWFLSA-N 1 0 399.329 2.867 20 0 GFADRO C[C@@H](O)C[N@@H+]1CCN(CC(=O)Nc2cc(Cl)c(Cl)cc2Cl)[C@H](C)C1 ZINC000189562901 552474821 /nfs/dbraw/zinc/47/48/21/552474821.db2.gz LZCJXSDTTDLDSV-GHMZBOCLSA-N 1 0 394.730 2.972 20 0 GFADRO O=C(Nc1ccc(Br)cn1)C1CC[NH+](CCOCC(F)F)CC1 ZINC000189608472 552475992 /nfs/dbraw/zinc/47/59/92/552475992.db2.gz UUXSIGCQBRYUMC-UHFFFAOYSA-N 1 0 392.244 2.776 20 0 GFADRO Cc1cc(NC(=O)[C@@H](C)[N@H+](C)CC2(O)CCOCC2)ccc1Br ZINC000189749728 552479102 /nfs/dbraw/zinc/47/91/02/552479102.db2.gz CBINEAKUSYNIQL-CYBMUJFWSA-N 1 0 385.302 2.558 20 0 GFADRO C[C@H](NC(=O)C[N@H+](C)CC1(O)CCOCC1)c1ccc(Cl)cc1Cl ZINC000189762045 552479492 /nfs/dbraw/zinc/47/94/92/552479492.db2.gz ICDMJEOZHXSMJJ-LBPRGKRZSA-N 1 0 375.296 2.644 20 0 GFADRO C[C@H]1CN(C[C@H](O)COc2c(Cl)cccc2Cl)CC[N@@H+]1CC(C)(C)O ZINC000189921703 552482773 /nfs/dbraw/zinc/48/27/73/552482773.db2.gz XCLCWBSPBFMYQN-KBPBESRZSA-N 1 0 391.339 2.510 20 0 GFADRO C[C@@H]1CN(CCC(=O)Nc2cccc(Br)c2)CC[N@@H+]1CC(C)(C)O ZINC000189946759 552483217 /nfs/dbraw/zinc/48/32/17/552483217.db2.gz AOGHSSKNUNRAIJ-CQSZACIVSA-N 1 0 398.345 2.555 20 0 GFADRO CC[NH+]1CCN(CCC(=O)Nc2cc(Br)c(F)cc2F)CC1 ZINC000190242434 552490850 /nfs/dbraw/zinc/49/08/50/552490850.db2.gz HAJVVLYLQQYQGX-UHFFFAOYSA-N 1 0 376.245 2.693 20 0 GFADRO O=C(Nc1ccsc1)C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000190290763 552491665 /nfs/dbraw/zinc/49/16/65/552491665.db2.gz DVECZBXZCFHRQR-UHFFFAOYSA-N 1 0 375.519 2.917 20 0 GFADRO CCN1CCN(C(=O)[C@H](C)[NH2+][C@H](C)c2ccc(Br)cc2OC)CC1 ZINC000190446220 552496625 /nfs/dbraw/zinc/49/66/25/552496625.db2.gz HQZHGNBJRZYHOX-KGLIPLIRSA-N 1 0 398.345 2.661 20 0 GFADRO Cc1cc(NC(=O)C(=O)N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cc(C)c1Br ZINC000190617191 552503337 /nfs/dbraw/zinc/50/33/37/552503337.db2.gz YTSQKFRPXWPIBO-OCCSQVGLSA-N 1 0 394.313 2.746 20 0 GFADRO CS(=O)(=O)N1CCC[C@@H]1C[NH2+][C@H](c1ccc(Br)s1)C1CC1 ZINC000190653473 552504895 /nfs/dbraw/zinc/50/48/95/552504895.db2.gz NGJXUWFXKZWIAZ-RISCZKNCSA-N 1 0 393.372 2.975 20 0 GFADRO CCN(CCC[NH+](CC)CC)C(=O)C(=O)Nc1ccc(C)nc1Br ZINC000190654240 552504984 /nfs/dbraw/zinc/50/49/84/552504984.db2.gz DORXVWNYVGRGNM-UHFFFAOYSA-N 1 0 399.333 2.671 20 0 GFADRO O=C(Cc1ccc(I)cc1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000190946167 552513971 /nfs/dbraw/zinc/51/39/71/552513971.db2.gz RDXIWYNSEANSAT-OAHLLOKOSA-N 1 0 398.288 2.778 20 0 GFADRO Cc1csc(C(=O)NC[C@@H](C)[N@H+](C)C2CC2)c1I ZINC000191003564 552516523 /nfs/dbraw/zinc/51/65/23/552516523.db2.gz YKTZUWBPMGODRP-SECBINFHSA-N 1 0 378.279 2.874 20 0 GFADRO C[NH+](C)CCNC(=O)c1ccc(CNCc2ccc(Br)o2)cc1 ZINC000191131384 552519554 /nfs/dbraw/zinc/51/95/54/552519554.db2.gz GUBDRFSUYGWUCB-UHFFFAOYSA-N 1 0 380.286 2.623 20 0 GFADRO C[C@@H]1CC(O)C[C@H](C)[N@H+]1CC(=O)N(C)Cc1cc(Br)cs1 ZINC000191197809 552520765 /nfs/dbraw/zinc/52/07/65/552520765.db2.gz LFCYHVKVSZUMED-QYJAPNMZSA-N 1 0 375.332 2.703 20 0 GFADRO COCCN(CC(=O)Nc1ccc(Br)cc1)Cc1cccnc1 ZINC000191236917 552522230 /nfs/dbraw/zinc/52/22/30/552522230.db2.gz ZLXRJOPGXDAXHL-UHFFFAOYSA-N 1 0 378.270 2.931 20 0 GFADRO CC[C@@H](O)CN1CCN(C(=O)Nc2cc(Cl)c(Cl)cc2OC)CC1 ZINC000191278932 552523739 /nfs/dbraw/zinc/52/37/39/552523739.db2.gz QKDOYZVXPRATGD-LLVKDONJSA-N 1 0 376.284 2.922 20 0 GFADRO C[C@@H]([NH2+]C1CCN(S(=O)(=O)c2cnn(C)c2)CC1)c1csc(Cl)c1 ZINC000191371736 552526602 /nfs/dbraw/zinc/52/66/02/552526602.db2.gz QHCRGRXZADGTHD-LLVKDONJSA-N 1 0 388.946 2.639 20 0 GFADRO Cc1c([C@@H](C)[NH2+]CCN(C)S(=O)(=O)c2cccs2)cnn1C(C)(C)C ZINC000191385922 552526611 /nfs/dbraw/zinc/52/66/11/552526611.db2.gz MAIHWWRJINRUST-CYBMUJFWSA-N 1 0 384.571 2.979 20 0 GFADRO Cc1csc(C(=O)NC[C@@H]2CCC[N@@H+](C)C2)c1I ZINC000191403990 552527109 /nfs/dbraw/zinc/52/71/09/552527109.db2.gz XSKFFTILAYPBGD-JTQLQIEISA-N 1 0 378.279 2.733 20 0 GFADRO CCN(C1CC[NH+](CCOc2ccc(Cl)c(F)c2)CC1)S(C)(=O)=O ZINC000192103548 552551381 /nfs/dbraw/zinc/55/13/81/552551381.db2.gz MQPINUWFSIBXGU-UHFFFAOYSA-N 1 0 378.897 2.604 20 0 GFADRO Cn1cc(N2CC[C@H]([NH2+]Cc3ccc(Br)c(Cl)c3)C2=O)cn1 ZINC000192167767 552553979 /nfs/dbraw/zinc/55/39/79/552553979.db2.gz MEXFADMTHGNWRW-AWEZNQCLSA-N 1 0 383.677 2.731 20 0 GFADRO CCOc1cc(C[N@@H+]2CCS[C@@H](C)CC2)nc2nc(C(F)(F)F)nn21 ZINC000192187158 552555336 /nfs/dbraw/zinc/55/53/36/552555336.db2.gz WCUYQDCBPNGALN-JTQLQIEISA-N 1 0 375.420 2.869 20 0 GFADRO CC[C@H]([NH2+]Cc1ccc(Br)c(Cl)c1)C(=O)N1CCOCC1 ZINC000192196917 552555756 /nfs/dbraw/zinc/55/57/56/552555756.db2.gz PTGKKQCBMSJNMO-AWEZNQCLSA-N 1 0 375.694 2.830 20 0 GFADRO O=C(CSCC(F)(F)F)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000192222330 552556904 /nfs/dbraw/zinc/55/69/04/552556904.db2.gz SSHDEMCXVUZJIL-HNNXBMFYSA-N 1 0 376.444 2.689 20 0 GFADRO COC(=O)c1cccc(NC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)c1Br ZINC000192424657 552563163 /nfs/dbraw/zinc/56/31/63/552563163.db2.gz WGXYUSCAZGRWGD-LLVKDONJSA-N 1 0 382.258 2.548 20 0 GFADRO COc1ccc(Br)c(C(=O)NCCC[NH2+][C@H]2CCOC[C@@H]2C)c1 ZINC000192537939 552566291 /nfs/dbraw/zinc/56/62/91/552566291.db2.gz NISWYIVZSTXDII-LRDDRELGSA-N 1 0 385.302 2.592 20 0 GFADRO COc1cc(Cl)c(S(=O)(=O)NC2CC[NH+](C(C)(C)C)CC2)cc1OC ZINC000192813298 552974527 /nfs/dbraw/zinc/97/45/27/552974527.db2.gz RVPDWEQLMFNXCF-UHFFFAOYSA-N 1 0 390.933 2.898 20 0 GFADRO COc1cc(Cl)c(S(=O)(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)cc1OC ZINC000192822111 552975190 /nfs/dbraw/zinc/97/51/90/552975190.db2.gz DVJQSGXYUCKJRS-VXGBXAGGSA-N 1 0 376.906 2.508 20 0 GFADRO Cc1ccc(NC(=O)C[NH2+][C@@H](C)c2ccc(S(N)(=O)=O)cc2)c(Cl)c1 ZINC000192843296 552975733 /nfs/dbraw/zinc/97/57/33/552975733.db2.gz MWJSJSNEEPFAIH-LBPRGKRZSA-N 1 0 381.885 2.585 20 0 GFADRO Cc1cc(S(=O)(=O)N2CC[C@H](C[N@@H+](C)Cc3scnc3C)C2)c(C)o1 ZINC000192934792 552978693 /nfs/dbraw/zinc/97/86/93/552978693.db2.gz TVYBESSHOXHXOW-OAHLLOKOSA-N 1 0 383.539 2.804 20 0 GFADRO C[C@@H](O)C[N@@H+]1CCN(C(=O)Cc2csc(-c3ccc(Cl)s3)n2)[C@@H](C)C1 ZINC000193146986 552984868 /nfs/dbraw/zinc/98/48/68/552984868.db2.gz QHNXPDOIAYUCLS-NWDGAFQWSA-N 1 0 399.969 2.981 20 0 GFADRO COc1cc(Cl)c(S(=O)(=O)N2CCC([NH2+]CC3CC3)CC2)cc1OC ZINC000193294746 552989330 /nfs/dbraw/zinc/98/93/30/552989330.db2.gz YSFHQXFJWQEEDZ-UHFFFAOYSA-N 1 0 388.917 2.510 20 0 GFADRO Cc1cc(F)c(Br)cc1S(=O)(=O)N(C)CC[C@@H]([NH3+])C(C)C ZINC000193302734 552989499 /nfs/dbraw/zinc/98/94/99/552989499.db2.gz JKQUVWASBXIHGN-CYBMUJFWSA-N 1 0 381.311 2.891 20 0 GFADRO COc1cc(Br)cc(S(=O)(=O)N(CC[NH3+])Cc2ccccc2)c1 ZINC000193316581 552990132 /nfs/dbraw/zinc/99/01/32/552990132.db2.gz GOIRZEJIPVSYDI-UHFFFAOYSA-N 1 0 399.310 2.607 20 0 GFADRO CCCN(C1CC[NH2+]CC1)S(=O)(=O)c1cc(Br)cc(OC)c1 ZINC000193306484 552990226 /nfs/dbraw/zinc/99/02/26/552990226.db2.gz CYOMGVYZCSONSD-UHFFFAOYSA-N 1 0 391.331 2.610 20 0 GFADRO Cc1cc(F)c(Br)cc1S(=O)(=O)NCC1(C)CC[NH2+]CC1 ZINC000193373539 552991772 /nfs/dbraw/zinc/99/17/72/552991772.db2.gz UFVKLZXUMCVDGL-UHFFFAOYSA-N 1 0 379.295 2.565 20 0 GFADRO Cc1nc(NC(=O)C(=O)NCCC[NH+](C(C)C)C(C)C)ccc1Br ZINC000193412778 552992211 /nfs/dbraw/zinc/99/22/11/552992211.db2.gz SWKNJRDVLIDNOK-UHFFFAOYSA-N 1 0 399.333 2.716 20 0 GFADRO C=Cn1cc(C[N@H+]2CCC[C@@H](C(=O)Nc3ccc(Br)cn3)C2)cn1 ZINC000193738885 553001481 /nfs/dbraw/zinc/00/14/81/553001481.db2.gz LFHUASLPHXQCDL-CQSZACIVSA-N 1 0 390.285 2.992 20 0 GFADRO O=C(C[NH2+]C1(c2ccc(Br)cc2)CCOCC1)NCc1ccco1 ZINC000194312062 553017100 /nfs/dbraw/zinc/01/71/00/553017100.db2.gz XKQQSGVYWDWVLS-UHFFFAOYSA-N 1 0 393.281 2.954 20 0 GFADRO C[C@@H]1C[NH+](CCCNC(=O)NCc2ccccc2Br)C[C@@H](C)O1 ZINC000195070869 553037532 /nfs/dbraw/zinc/03/75/32/553037532.db2.gz HLGUTNBPBBVHFR-ZIAGYGMSSA-N 1 0 384.318 2.748 20 0 GFADRO Cc1cccc(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)c1I ZINC000223504569 553056123 /nfs/dbraw/zinc/05/61/23/553056123.db2.gz MKDIXBXOYQBFBW-KBPBESRZSA-N 1 0 384.261 2.956 20 0 GFADRO C[C@@]1(NS(=O)(=O)c2c(Cl)cc(Br)cc2Cl)CC[NH2+]C1 ZINC000230736674 553065056 /nfs/dbraw/zinc/06/50/56/553065056.db2.gz KHFUWSFFBWBLAV-LLVKDONJSA-N 1 0 388.114 2.786 20 0 GFADRO CC[NH+](CC)[C@H]1CCN(C(=O)c2ccc(I)c(O)c2)C1 ZINC000230899957 553065932 /nfs/dbraw/zinc/06/59/32/553065932.db2.gz YAGDKWLIZUFJPN-LBPRGKRZSA-N 1 0 388.249 2.553 20 0 GFADRO CC[C@@H]1CN(S(=O)(=O)c2ccc(Cl)c(Br)c2)CC[C@@H]1[NH3+] ZINC000233945089 553066980 /nfs/dbraw/zinc/06/69/80/553066980.db2.gz WXIDBPXNPRLAEX-RNCFNFMXSA-N 1 0 381.723 2.850 20 0 GFADRO [NH3+]CC[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)c(Br)c2)C1 ZINC000236181421 553068612 /nfs/dbraw/zinc/06/86/12/553068612.db2.gz DEKXJASRVGVRIN-JTQLQIEISA-N 1 0 381.723 2.852 20 0 GFADRO O=S(=O)(N[C@@H]1CCN(C2CC2)C1)c1ccc(Cl)c(Br)c1 ZINC000236072654 553068670 /nfs/dbraw/zinc/06/86/70/553068670.db2.gz AAWUFOUBWJAMFK-SECBINFHSA-N 1 0 379.707 2.618 20 0 GFADRO CCC[C@H]([NH3+])C(=O)N1CCC(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000236812487 553071637 /nfs/dbraw/zinc/07/16/37/553071637.db2.gz GATZJVQDDGNLIT-HNNXBMFYSA-N 1 0 382.302 2.754 20 0 GFADRO CCCCOCCN(C(=O)[C@@H]1C[NH2+]CCO1)c1ccc(Br)cc1 ZINC000236828892 553071669 /nfs/dbraw/zinc/07/16/69/553071669.db2.gz DXNJONIXZJUNTK-INIZCTEOSA-N 1 0 385.302 2.587 20 0 GFADRO O=C(NCC1(c2cccc(Br)c2)CCCCC1)[C@@H]1C[NH2+]CCO1 ZINC000236776996 553071694 /nfs/dbraw/zinc/07/16/94/553071694.db2.gz RUNGQEZPHSCHFA-INIZCTEOSA-N 1 0 381.314 2.756 20 0 GFADRO CCC[NH2+]CCNC(=O)c1cnn(-c2ccc(Br)cc2)c1CC ZINC000236853990 553072117 /nfs/dbraw/zinc/07/21/17/553072117.db2.gz VWVBJPCKHDFIMF-UHFFFAOYSA-N 1 0 379.302 2.927 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)N[C@](C)(C[NH3+])C1CC1 ZINC000236829962 553072452 /nfs/dbraw/zinc/07/24/52/553072452.db2.gz KQNJCHCBOCHPLJ-FZKQIMNGSA-N 1 0 384.567 2.595 20 0 GFADRO CC[NH+](CC)[C@H](CNC(=O)[C@@H]1CSCN1)c1ccc(C(F)(F)F)cc1 ZINC000236881697 553072885 /nfs/dbraw/zinc/07/28/85/553072885.db2.gz CAVLTGHCKXWIES-LSDHHAIUSA-N 1 0 375.460 2.867 20 0 GFADRO CCOC(=O)N1CCC([NH2+]Cc2cc(Br)c(O)c(OC)c2)CC1 ZINC000236880420 553073026 /nfs/dbraw/zinc/07/30/26/553073026.db2.gz BFLNWMBUYDEERU-UHFFFAOYSA-N 1 0 387.274 2.874 20 0 GFADRO CCOc1c(Br)cc(C(=O)NCC[C@H]2CCC[NH2+]C2)cc1OC ZINC000237017130 553073704 /nfs/dbraw/zinc/07/37/04/553073704.db2.gz PGELNTVBZMZMES-GFCCVEGCSA-N 1 0 385.302 2.976 20 0 GFADRO CN(C(=O)CCc1nc(-c2cc(Br)cs2)no1)C1CC[NH2+]CC1 ZINC000237074547 553074338 /nfs/dbraw/zinc/07/43/38/553074338.db2.gz NXKWKSASIHDXSR-UHFFFAOYSA-N 1 0 399.314 2.704 20 0 GFADRO C[NH2+]C1CCN(C(=O)c2cc(Cl)ccc2I)CC1 ZINC000237090517 553074378 /nfs/dbraw/zinc/07/43/78/553074378.db2.gz SMJFALBXQYOASO-UHFFFAOYSA-N 1 0 378.641 2.769 20 0 GFADRO C[NH2+]CC1CCN(C(=O)c2c(F)cccc2I)CC1 ZINC000237346149 553077282 /nfs/dbraw/zinc/07/72/82/553077282.db2.gz ATCNUAOSOCPXMH-UHFFFAOYSA-N 1 0 376.213 2.502 20 0 GFADRO C[C@H](NC(=O)[C@@H]1CCCC[NH2+]1)c1nc(-c2ccc(Br)cc2)no1 ZINC000237448519 553077575 /nfs/dbraw/zinc/07/75/75/553077575.db2.gz CXFLRKUQPUARBS-GWCFXTLKSA-N 1 0 379.258 2.818 20 0 GFADRO C[C@@H](NC(=O)[C@H]1CCCC[NH2+]1)c1nc(-c2ccc(Br)cc2)no1 ZINC000237431250 553077619 /nfs/dbraw/zinc/07/76/19/553077619.db2.gz CXFLRKUQPUARBS-ZWNOBZJWSA-N 1 0 379.258 2.818 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)c2nn(-c3ccc(F)cc3)cc2Br)C1 ZINC000237512503 553078691 /nfs/dbraw/zinc/07/86/91/553078691.db2.gz HTAGAIBZIGIWIJ-NWDGAFQWSA-N 1 0 395.276 2.973 20 0 GFADRO C[C@H](NC(=O)[C@H]1CCCC[NH2+]1)c1nc(-c2ccc(Br)cc2)no1 ZINC000237518123 553078924 /nfs/dbraw/zinc/07/89/24/553078924.db2.gz CXFLRKUQPUARBS-GXFFZTMASA-N 1 0 379.258 2.818 20 0 GFADRO C[C@@]1(C(=O)NC[C@@H]2CCN(c3ccc(Br)cc3)C2)CCC[NH2+]C1 ZINC000237586987 553079220 /nfs/dbraw/zinc/07/92/20/553079220.db2.gz SNYVXZIFCPNGRH-KBXCAEBGSA-N 1 0 380.330 2.781 20 0 GFADRO Cc1nn(Cc2cccc(Br)c2)c(C)c1C(=O)N1CCC([NH3+])CC1 ZINC000237620608 553079965 /nfs/dbraw/zinc/07/99/65/553079965.db2.gz NQFKHBOZEOYNRC-UHFFFAOYSA-N 1 0 391.313 2.874 20 0 GFADRO O=C(NC[C@@H]1CCC[NH2+]C1)c1ccc(Cl)c(I)c1 ZINC000237730799 553081170 /nfs/dbraw/zinc/08/11/70/553081170.db2.gz FJFFQPXCBKLDRO-SECBINFHSA-N 1 0 378.641 2.674 20 0 GFADRO O=C(Nc1nc(-c2ccc(I)cc2)cs1)[C@@H]1CC[NH2+]C1 ZINC000237813605 553082244 /nfs/dbraw/zinc/08/22/44/553082244.db2.gz OEOFUFKMSSGMLC-SNVBAGLBSA-N 1 0 399.257 2.963 20 0 GFADRO Cc1c(C(=O)NCCc2c(Cl)cccc2Cl)nnn1C1CC[NH2+]CC1 ZINC000237793841 553082402 /nfs/dbraw/zinc/08/24/02/553082402.db2.gz ZDJJXQGOTVTUQF-UHFFFAOYSA-N 1 0 382.295 2.790 20 0 GFADRO Cc1c(C(=O)Nc2ccc(F)c(Br)c2)nnn1C1CC[NH2+]CC1 ZINC000237863382 553083246 /nfs/dbraw/zinc/08/32/46/553083246.db2.gz XIAVNIANUQWYOK-UHFFFAOYSA-N 1 0 382.237 2.665 20 0 GFADRO [NH3+]Cc1ccc(C(=O)N2CCN(Cc3ccc(Br)s3)CC2)cc1 ZINC000237951891 553084157 /nfs/dbraw/zinc/08/41/57/553084157.db2.gz XYAUTWVDJZUXKY-UHFFFAOYSA-N 1 0 394.338 2.927 20 0 GFADRO [NH3+]CC1(C(=O)NC[C@H]2CCN(c3cccc(Br)c3)C2)CCCC1 ZINC000238055113 553085506 /nfs/dbraw/zinc/08/55/06/553085506.db2.gz OIFAZPMIHQAUAU-CQSZACIVSA-N 1 0 380.330 2.911 20 0 GFADRO Cc1csc(NC(=O)C(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)n1 ZINC000245436892 553090714 /nfs/dbraw/zinc/09/07/14/553090714.db2.gz VTQQXAACJSQPOC-GXTWGEPZSA-N 1 0 378.523 2.651 20 0 GFADRO C[C@H](CNC(=O)c1cncc(I)c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000245637928 553094252 /nfs/dbraw/zinc/09/42/52/553094252.db2.gz GWLVMTMWVZQMQE-VXGBXAGGSA-N 1 0 387.265 2.536 20 0 GFADRO CSc1nsc(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)n1 ZINC000246032809 553100862 /nfs/dbraw/zinc/10/08/62/553100862.db2.gz NVFVIHWCOVCZEL-WCQYABFASA-N 1 0 378.527 2.687 20 0 GFADRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)NCCOc1ccc(Br)cc1 ZINC000246162307 553103558 /nfs/dbraw/zinc/10/35/58/553103558.db2.gz FDMHYTPMDPMQKS-CZUORRHYSA-N 1 0 384.318 2.810 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2sccc2Br)[C@@H](C)C1 ZINC000246258099 553105330 /nfs/dbraw/zinc/10/53/30/553105330.db2.gz UBAFRBKTAVJWRE-JQWIXIFHSA-N 1 0 381.361 2.861 20 0 GFADRO C[C@@H]1CCc2c(F)cccc2[C@@H]1[NH2+]C[C@@H](O)CS(=O)(=O)c1cccs1 ZINC000246337883 553106339 /nfs/dbraw/zinc/10/63/39/553106339.db2.gz GPQRXXZPYIIGAO-SNUQEOBHSA-N 1 0 383.510 2.935 20 0 GFADRO CC[C@H]1CN(C(=O)c2cc3cc(Br)ccc3[nH]2)CC[N@@H+]1C[C@H](C)O ZINC000246753635 553113023 /nfs/dbraw/zinc/11/30/23/553113023.db2.gz HEZRGXSQEMPSQI-WFASDCNBSA-N 1 0 394.313 2.848 20 0 GFADRO C[C@@H](C(=O)Nc1cccc(I)c1)[N@H+](C)C[C@H]1CCOC1 ZINC000246932794 553115447 /nfs/dbraw/zinc/11/54/47/553115447.db2.gz HEBABMUCRXMRBJ-NWDGAFQWSA-N 1 0 388.249 2.587 20 0 GFADRO C[C@@H](C(=O)Nc1cccc(Cl)c1Cl)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000247075706 553117917 /nfs/dbraw/zinc/11/79/17/553117917.db2.gz WUJPRJJBZJLUIM-KBPBESRZSA-N 1 0 386.323 2.975 20 0 GFADRO CSc1ccc(Cl)cc1NC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000247127746 553118930 /nfs/dbraw/zinc/11/89/30/553118930.db2.gz QCRRICAXXUCRMU-SWLSCSKDSA-N 1 0 381.929 2.943 20 0 GFADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)COc3ccc(Br)cc3F)CC[C@H]21 ZINC000247126335 553119004 /nfs/dbraw/zinc/11/90/04/553119004.db2.gz APUWLIVYXQSBJU-IUODEOHRSA-N 1 0 385.277 2.910 20 0 GFADRO CCOCCC[N@@H+]1CC[C@H](NS(=O)(=O)c2ccc(SC)cc2)[C@@H](C)C1 ZINC000247288384 553120759 /nfs/dbraw/zinc/12/07/59/553120759.db2.gz SYTWPWLMROPDQO-YJBOKZPZSA-N 1 0 386.583 2.824 20 0 GFADRO COc1cc(C(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@H]2C)cc(OC)c1Br ZINC000247488161 553122915 /nfs/dbraw/zinc/12/29/15/553122915.db2.gz WSBHXPWYFYULEU-DGCLKSJQSA-N 1 0 385.302 2.925 20 0 GFADRO CC[NH+](CC)C[C@@H]1CCN(C[C@@H](O)COc2ccc(Br)cc2)C1 ZINC000247479673 553122931 /nfs/dbraw/zinc/12/29/31/553122931.db2.gz JZGZCPIISCCYOW-DOTOQJQBSA-N 1 0 385.346 2.853 20 0 GFADRO [NH3+][C@@H]1CC[C@@H]2CN(S(=O)(=O)c3c(Cl)cc(F)cc3Br)C[C@@H]12 ZINC000248629047 553131643 /nfs/dbraw/zinc/13/16/43/553131643.db2.gz OQEUHYAVSPLIKS-JWKOBGCHSA-N 1 0 397.697 2.599 20 0 GFADRO Cc1cc(NC(=O)[C@@H](C)N2CCO[C@@]3(CCOC3)C2)ccc1Br ZINC000249000086 553138022 /nfs/dbraw/zinc/13/80/22/553138022.db2.gz MVTNCBRZYAXWHK-DYVFJYSZSA-N 1 0 383.286 2.576 20 0 GFADRO C[C@H](Oc1ccccc1Br)C(=O)N1CC[N@H+](CC(C)(C)O)C[C@@H]1C ZINC000249407592 553142872 /nfs/dbraw/zinc/14/28/72/553142872.db2.gz URCUWSODIVHCLU-KBPBESRZSA-N 1 0 399.329 2.520 20 0 GFADRO CC(=O)NC[C@@H]1CCC[N@H+](C[C@@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000249812775 553146650 /nfs/dbraw/zinc/14/66/50/553146650.db2.gz JCDSEHZIDQFCJG-UONOGXRCSA-N 1 0 375.296 2.581 20 0 GFADRO O=S(=O)(c1ccc(Br)s1)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000252413488 553149099 /nfs/dbraw/zinc/14/90/99/553149099.db2.gz CYWIJCRWBJUUGE-GHMZBOCLSA-N 1 0 379.345 2.663 20 0 GFADRO C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)N1CCC[C@@H]([NH+](C)C)C1 ZINC000252442708 553149990 /nfs/dbraw/zinc/14/99/90/553149990.db2.gz BAROCVARQRYBPR-RHSMWYFYSA-N 1 0 382.346 2.822 20 0 GFADRO O=C(c1cc(Br)sc1Br)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261584694 553153441 /nfs/dbraw/zinc/15/34/41/553153441.db2.gz SNOAIEIIUGWESV-JGVFFNPUSA-N 1 0 394.132 2.955 20 0 GFADRO [NH3+][C@@H]1CCC[C@H]1CC(=O)NC[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000261616533 553154162 /nfs/dbraw/zinc/15/41/62/553154162.db2.gz AHRWSZSOPJVYBA-JKIFEVAISA-N 1 0 380.330 2.909 20 0 GFADRO CN(CCOc1ccc(Br)cc1)C(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC000261635877 553154509 /nfs/dbraw/zinc/15/45/09/553154509.db2.gz CKCMHUWHWANELY-KRWDZBQOSA-N 1 0 377.282 2.856 20 0 GFADRO [NH3+][C@@H]1CCC[C@H]1CC(=O)N1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000261620951 553154516 /nfs/dbraw/zinc/15/45/16/553154516.db2.gz AVWQGFPCQFEMKF-BLLLJJGKSA-N 1 0 384.307 2.795 20 0 GFADRO O=C(NC[C@H]1CCCN(Cc2cc(F)ccc2Br)C1)[C@@H]1CCC[NH2+]1 ZINC000261665682 553155860 /nfs/dbraw/zinc/15/58/60/553155860.db2.gz LCWDXDOFNMDYEW-DYVFJYSZSA-N 1 0 398.320 2.668 20 0 GFADRO Cc1ccc(I)c(C(=O)N2CCC3(CC[NH2+]C3)CC2)c1 ZINC000261689388 553156833 /nfs/dbraw/zinc/15/68/33/553156833.db2.gz DVUHCVQGMYPJAQ-UHFFFAOYSA-N 1 0 384.261 2.815 20 0 GFADRO Cc1cc(NC(=O)CN2CC[NH2+]C[C@H]2c2cccnc2)ccc1Br ZINC000261701655 553156899 /nfs/dbraw/zinc/15/68/99/553156899.db2.gz JSUBTXYNJTYQNS-KRWDZBQOSA-N 1 0 389.297 2.738 20 0 GFADRO Cc1sc(C(=O)Nc2ccc3c(c2F)CC[NH2+]C3)cc1CS(C)(=O)=O ZINC000261723961 553157270 /nfs/dbraw/zinc/15/72/70/553157270.db2.gz LVAQOVVLMDSTTJ-UHFFFAOYSA-N 1 0 382.482 2.638 20 0 GFADRO O=C(c1c(F)cccc1I)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000261813298 553160010 /nfs/dbraw/zinc/16/00/10/553160010.db2.gz NNIVJOMXFPAZNU-PHIMTYICSA-N 1 0 388.224 2.502 20 0 GFADRO COCC1(CNC(=O)[C@@H](C)Oc2cccc(Cl)c2Cl)CC[NH2+]CC1 ZINC000261791191 553159353 /nfs/dbraw/zinc/15/93/53/553159353.db2.gz ULNIIEUNUMAXAE-GFCCVEGCSA-N 1 0 375.296 2.893 20 0 GFADRO C[C@H](COCC(F)(F)F)NC(=O)[C@@](C)([NH3+])c1ccc(Br)cc1 ZINC000261808215 553159709 /nfs/dbraw/zinc/15/97/09/553159709.db2.gz RQWBZUNGCDJCCP-RNCFNFMXSA-N 1 0 383.208 2.707 20 0 GFADRO C[NH2+][C@H](C)CNC(=O)[C@@H](CCSC)NC(=O)c1ccc(Cl)cc1Cl ZINC000261799058 553159942 /nfs/dbraw/zinc/15/99/42/553159942.db2.gz RQFBPZSTRCPWDQ-QMTHXVAHSA-N 1 0 392.352 2.569 20 0 GFADRO C[NH2+][C@@H](C)Cc1noc([C@@H](c2ccc(Cl)cc2Cl)N2CCOCC2)n1 ZINC000261804180 553159985 /nfs/dbraw/zinc/15/99/85/553159985.db2.gz PITNIRVWZRANCY-MEDUHNTESA-N 1 0 385.295 2.948 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCCCN1S(=O)(=O)c1cc(Cl)ccc1Br ZINC000261796128 553160013 /nfs/dbraw/zinc/16/00/13/553160013.db2.gz LIRHUFJMFYKTRH-JOYOIKCWSA-N 1 0 381.723 2.993 20 0 GFADRO [NH3+][C@@H]1CCC[C@H]1CC(=O)NC[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000261839131 553160631 /nfs/dbraw/zinc/16/06/31/553160631.db2.gz UTTYJPLFXBXDIG-JKIFEVAISA-N 1 0 380.330 2.909 20 0 GFADRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)CCc1nc(-c2cc(Br)cs2)no1 ZINC000261863877 553160952 /nfs/dbraw/zinc/16/09/52/553160952.db2.gz RMEDGNSCWYSSQE-ZJUUUORDSA-N 1 0 399.314 2.689 20 0 GFADRO [NH3+]C1(c2noc(COc3ccc(I)cc3)n2)CCCC1 ZINC000261888179 553162413 /nfs/dbraw/zinc/16/24/13/553162413.db2.gz XFFJFGIJFNJJGF-UHFFFAOYSA-N 1 0 385.205 2.981 20 0 GFADRO [NH3+]CCC(=O)NC[C@H]1CCCCN1Cc1ccc(OC(F)F)c(Cl)c1 ZINC000261931391 553162715 /nfs/dbraw/zinc/16/27/15/553162715.db2.gz CUOCVCWHGKSOSK-CYBMUJFWSA-N 1 0 375.847 2.761 20 0 GFADRO O=C(N[C@H]1CCc2c1cccc2Br)C1(n2cccn2)CC[NH2+]CC1 ZINC000261917099 553162742 /nfs/dbraw/zinc/16/27/42/553162742.db2.gz JRGOBVPPPWPKIH-INIZCTEOSA-N 1 0 389.297 2.528 20 0 GFADRO COCC1(CNS(=O)(=O)c2csc3ccc(Cl)cc23)CC[NH2+]CC1 ZINC000261940806 553162775 /nfs/dbraw/zinc/16/27/75/553162775.db2.gz DQHJZANGEMXPAS-UHFFFAOYSA-N 1 0 388.942 2.849 20 0 GFADRO CN(Cc1ccccc1Br)C(=O)[C@]1([NH3+])[C@@H]2CCCO[C@H]2C1(C)C ZINC000261919549 553163046 /nfs/dbraw/zinc/16/30/46/553163046.db2.gz RJELQKVXCYSMGN-DDUZABMNSA-N 1 0 381.314 2.940 20 0 GFADRO C[C@]1(C[NH3+])CCN(C(=O)CCc2nc(-c3cc(Br)cs3)no2)C1 ZINC000261959248 553163217 /nfs/dbraw/zinc/16/32/17/553163217.db2.gz KTPLMFBAYUOCNX-OAHLLOKOSA-N 1 0 399.314 2.691 20 0 GFADRO C[C@@H](Sc1ccc(Cl)cc1)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000262043795 553164475 /nfs/dbraw/zinc/16/44/75/553164475.db2.gz QKXRQWMZYYWJHB-BXUZGUMPSA-N 1 0 395.878 2.773 20 0 GFADRO [NH3+]C[C@H]1CC[C@@H](C(=O)NCC2(c3ccc(Br)cc3)CCCC2)O1 ZINC000262105233 553165964 /nfs/dbraw/zinc/16/59/64/553165964.db2.gz VHQXHDOZTTYTRI-CVEARBPZSA-N 1 0 381.314 2.883 20 0 GFADRO Cc1csc(Sc2ccc(NC(=O)CNC(=O)[C@@H]([NH3+])C(C)C)cc2)n1 ZINC000262124479 553166422 /nfs/dbraw/zinc/16/64/22/553166422.db2.gz NOPIWSRNKCYCJR-HNNXBMFYSA-N 1 0 378.523 2.641 20 0 GFADRO C[C@@]1(C[NH3+])CCN(C(=O)[C@@H](c2ccc(Cl)cc2Cl)N2CCOCC2)C1 ZINC000262122852 553166567 /nfs/dbraw/zinc/16/65/67/553166567.db2.gz WIAFVTDSEYXFBM-AEFFLSMTSA-N 1 0 386.323 2.564 20 0 GFADRO O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(SC(F)F)cc1 ZINC000262181103 553166982 /nfs/dbraw/zinc/16/69/82/553166982.db2.gz ZBMAWVUXBYMTED-LBPRGKRZSA-N 1 0 383.386 2.567 20 0 GFADRO CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@H](c1ccsc1)c1ccc(Cl)cc1 ZINC000262260714 553168066 /nfs/dbraw/zinc/16/80/66/553168066.db2.gz XPAJHZIGAIAZCF-IRXDYDNUSA-N 1 0 379.913 2.707 20 0 GFADRO COc1cc(CNC(=O)[C@]23C[NH2+]C[C@@H]2CCCC3)cc(Br)c1OC ZINC000262237550 553168093 /nfs/dbraw/zinc/16/80/93/553168093.db2.gz RCZHBJZHDBBJSU-SCLBCKFNSA-N 1 0 397.313 2.862 20 0 GFADRO CN(CC(=O)Nc1ccccc1Br)C(=O)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000262287488 553168754 /nfs/dbraw/zinc/16/87/54/553168754.db2.gz YALKBWCPKQQNLU-SCLBCKFNSA-N 1 0 394.313 2.626 20 0 GFADRO [NH3+]CC[C@H]1CCCN(S(=O)(=O)c2cccc(Br)c2Cl)C1 ZINC000262357331 553169843 /nfs/dbraw/zinc/16/98/43/553169843.db2.gz VDTAUVJKFFPEIL-SNVBAGLBSA-N 1 0 381.723 2.852 20 0 GFADRO COCC1(C(=O)NCc2ccc(Br)cc2Cl)CC[NH2+]CC1 ZINC000262398444 553170140 /nfs/dbraw/zinc/17/01/40/553170140.db2.gz QSSYZUNEPXVWGK-UHFFFAOYSA-N 1 0 375.694 2.735 20 0 GFADRO C[C@@H](CNC(=O)[C@@H]([NH3+])Cc1ccccc1)Oc1cccc(Br)c1 ZINC000262452505 553170979 /nfs/dbraw/zinc/17/09/79/553170979.db2.gz GEFOWFCMOVDHCT-GUYCJALGSA-N 1 0 377.282 2.903 20 0 GFADRO CCc1c(NC(=O)C[C@@H]2COCC[NH2+]2)n[nH]c1-c1ccc(Br)cc1 ZINC000262544054 553172551 /nfs/dbraw/zinc/17/25/51/553172551.db2.gz NUKIMWGVWMZTAL-CYBMUJFWSA-N 1 0 393.285 2.719 20 0 GFADRO C[C@H](C[NH3+])N(C)C(=O)c1ccc(NC(=O)c2ccc(Br)o2)cc1 ZINC000262613179 553172866 /nfs/dbraw/zinc/17/28/66/553172866.db2.gz FOAHAPBLHJLFRT-SNVBAGLBSA-N 1 0 380.242 2.714 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)c1ccc(S(=O)(=O)c2ccccc2)s1 ZINC000262731626 553174583 /nfs/dbraw/zinc/17/45/83/553174583.db2.gz DCHNDVRIXQTHOK-UKRRQHHQSA-N 1 0 378.519 2.923 20 0 GFADRO CCCN([C@H]1CC[NH2+]C1)S(=O)(=O)c1ccc(Cl)cc1Br ZINC000262757910 553175086 /nfs/dbraw/zinc/17/50/86/553175086.db2.gz IKZIOYRRVBWFSV-NSHDSACASA-N 1 0 381.723 2.865 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000262784551 553175539 /nfs/dbraw/zinc/17/55/39/553175539.db2.gz CNTKLCKXBYJBQH-RBSFLKMASA-N 1 0 384.567 2.608 20 0 GFADRO CCCC[C@H](C[NH3+])NS(=O)(=O)c1cc(Cl)ccc1O[C@@H](C)COC ZINC000262787541 553175720 /nfs/dbraw/zinc/17/57/20/553175720.db2.gz QVBVKUUTVNMZGI-GXTWGEPZSA-N 1 0 378.922 2.550 20 0 GFADRO CO[C@H](C[NH3+])CC(=O)NCCCCSc1ccccc1Br ZINC000262895951 553178140 /nfs/dbraw/zinc/17/81/40/553178140.db2.gz PBKVYSWBHYQYLB-LBPRGKRZSA-N 1 0 375.332 2.801 20 0 GFADRO CO[C@H](C[NH3+])CC(=O)N1CCCC[C@H]1C(=O)Nc1ccc(Cl)cc1Cl ZINC000262907018 553178392 /nfs/dbraw/zinc/17/83/92/553178392.db2.gz QGHDBXNDAGSTJD-WFASDCNBSA-N 1 0 388.295 2.677 20 0 GFADRO C[C@@]1([NH3+])CCCC[C@@H]1C(=O)NCc1cc(Br)c2c(c1)OCCO2 ZINC000263058748 553181476 /nfs/dbraw/zinc/18/14/76/553181476.db2.gz VDPQVOZULVDAKS-SJKOYZFVSA-N 1 0 383.286 2.744 20 0 GFADRO CN(CC(=O)Nc1ccccc1Br)C(=O)[C@H]1CCCC[C@]1(C)[NH3+] ZINC000263267115 553185390 /nfs/dbraw/zinc/18/53/90/553185390.db2.gz RRCNXVXTYRKKTD-PXAZEXFGSA-N 1 0 382.302 2.754 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CNC(=O)[C@@H]1CCCC[C@@]1(C)[NH3+] ZINC000263314912 553185916 /nfs/dbraw/zinc/18/59/16/553185916.db2.gz ZINPRZOSKNYRKJ-SUMWQHHRSA-N 1 0 382.302 2.720 20 0 GFADRO C[C@@H](CNC(=O)CCCOc1cccc(Cl)c1Cl)N1CC[NH+](C)CC1 ZINC000263820620 553194174 /nfs/dbraw/zinc/19/41/74/553194174.db2.gz ZWTZUPGIHCEFKE-AWEZNQCLSA-N 1 0 388.339 2.905 20 0 GFADRO [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NS(=O)(=O)c1ccc(Br)s1 ZINC000447249599 563877867 /nfs/dbraw/zinc/87/78/67/563877867.db2.gz VBPXWXAZRNNDBJ-HMKSTLMESA-N 1 0 379.345 2.695 20 0 GFADRO Fc1ccc(C[NH2+][C@@H]2CCO[C@@]3(CCOC3)C2)c(I)c1 ZINC000417957499 563892824 /nfs/dbraw/zinc/89/28/24/563892824.db2.gz FNCRINSZFQGNKL-HIFRSBDPSA-N 1 0 391.224 2.858 20 0 GFADRO Cc1cc(Br)c(C(=O)Nc2ccn(CC[NH+](C)C)n2)cc1Cl ZINC000564806361 564249515 /nfs/dbraw/zinc/24/95/15/564249515.db2.gz FVCUZQDMFVZGLG-UHFFFAOYSA-N 1 0 385.693 3.421 20 0 GFADRO C[C@@H]1[NH2+]CCN(S(=O)(=O)Cc2ccc(Cl)cc2Br)[C@H]1C ZINC000568983730 564443634 /nfs/dbraw/zinc/44/36/34/564443634.db2.gz MYRSDNYATOCNIB-UWVGGRQHSA-N 1 0 381.723 2.615 20 0 GFADRO CC[C@H](CNS(C)(=O)=O)[NH2+][C@@H](Cc1ccccc1Br)C1CC1 ZINC000453279747 564452046 /nfs/dbraw/zinc/45/20/46/564452046.db2.gz JGPFESZZQYRBQJ-ZBFHGGJFSA-N 1 0 389.359 2.688 20 0 GFADRO COc1ccc(S(=O)(=O)N[C@H](C)C(C)(C)C[NH+](C)C)c(Br)c1 ZINC000480805370 564489242 /nfs/dbraw/zinc/48/92/42/564489242.db2.gz YPMOURNSSXANSN-LLVKDONJSA-N 1 0 393.347 2.712 20 0 GFADRO CCC[N@@H+]1CC[C@H](NC(=O)c2cc(I)ccc2F)C1 ZINC000598343022 565610379 /nfs/dbraw/zinc/61/03/79/565610379.db2.gz ROKZNOWVQKLGMJ-NSHDSACASA-N 1 0 376.213 2.644 20 0 GFADRO COCCN(Cc1sccc1Br)C(=O)N[C@H]1CCC[NH2+][C@@H]1C ZINC000418573972 563219829 /nfs/dbraw/zinc/21/98/29/563219829.db2.gz RHLYLEJYJNXTNB-YPMHNXCESA-N 1 0 390.347 2.809 20 0 GFADRO O=C(NCc1cc(Br)ccc1OC(F)F)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000372425491 563306206 /nfs/dbraw/zinc/30/62/06/563306206.db2.gz IIXKRDXTPFLXMB-NHYWBVRUSA-N 1 0 375.213 2.666 20 0 GFADRO Cc1sc(Br)cc1S(=O)(=O)N1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424389611 563377929 /nfs/dbraw/zinc/37/79/29/563377929.db2.gz ILWIDJODFQGUQC-SNVBAGLBSA-N 1 0 393.372 2.972 20 0 GFADRO Cc1sc(Br)cc1S(=O)(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000312748899 563436953 /nfs/dbraw/zinc/43/69/53/563436953.db2.gz WVUGOEJOFOCWPO-GWCFXTLKSA-N 1 0 379.345 2.569 20 0 GFADRO C[N@@H+]1CC[C@@]2(CCN(S(=O)(=O)c3ccc(Br)cc3Cl)C2)C1 ZINC000313921091 563438410 /nfs/dbraw/zinc/43/84/10/563438410.db2.gz WKHWCIDUTILNES-CQSZACIVSA-N 1 0 393.734 2.819 20 0 GFADRO C[C@H]1CCN(C(=O)NCCC(=O)Nc2cc(Cl)cc(Cl)c2)C[C@H]1C[NH3+] ZINC000418211052 563213575 /nfs/dbraw/zinc/21/35/75/563213575.db2.gz DHLIRJPTWOJISF-NWDGAFQWSA-N 1 0 387.311 2.948 20 0 GFADRO [NH3+]C[C@@H]1CC[C@H](NC(=O)NCCc2c[nH]c3cccc(Br)c23)C1 ZINC000418197140 563213618 /nfs/dbraw/zinc/21/36/18/563213618.db2.gz IXEWNRSQEMIXGW-YPMHNXCESA-N 1 0 379.302 2.900 20 0 GFADRO C[C@@H]1C[N@H+](CCCNC(=O)NCc2sccc2Br)CCCO1 ZINC000277571901 563214049 /nfs/dbraw/zinc/21/40/49/563214049.db2.gz YAVMBBUBLKGOHM-GFCCVEGCSA-N 1 0 390.347 2.811 20 0 GFADRO [NH3+]CC[C@@H](NC(=O)NCCc1ccc(Br)cc1Cl)C(F)F ZINC000418227541 563214162 /nfs/dbraw/zinc/21/41/62/563214162.db2.gz CSMOQDYAZVQURN-LLVKDONJSA-N 1 0 384.652 2.927 20 0 GFADRO CN(CC(C)(C)C[NH3+])C(=O)NCCC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000418224395 563214344 /nfs/dbraw/zinc/21/43/44/563214344.db2.gz YXTRVXVOSNJLTN-UHFFFAOYSA-N 1 0 375.300 2.948 20 0 GFADRO O=C(NCCCN1CC[NH2+]CC1)NC1(c2c(Cl)cccc2Cl)CCC1 ZINC000418296084 563215383 /nfs/dbraw/zinc/21/53/83/563215383.db2.gz IXYLIJPFTDYPAA-UHFFFAOYSA-N 1 0 385.339 2.967 20 0 GFADRO CC(C)[C@H]([NH3+])CNC(=O)N1CCO[C@@H](c2ccc(Br)cc2)[C@@H]1C ZINC000418391241 563216344 /nfs/dbraw/zinc/21/63/44/563216344.db2.gz UNVXSSIHNQHTRM-APHBMKBZSA-N 1 0 384.318 2.904 20 0 GFADRO CSc1ccc([C@H](CNC(=O)CSc2cccc[n+]2[O-])[NH+](C)C)cc1 ZINC000294791063 563216773 /nfs/dbraw/zinc/21/67/73/563216773.db2.gz KNBVXETYNICXOS-INIZCTEOSA-N 1 0 377.535 2.553 20 0 GFADRO COCCN(Cc1sccc1Br)C(=O)NC[C@H]([NH3+])C(C)C ZINC000418412099 563216932 /nfs/dbraw/zinc/21/69/32/563216932.db2.gz QUHZQQALRNVRAO-LBPRGKRZSA-N 1 0 378.336 2.652 20 0 GFADRO CC[C@@H]([NH2+][C@@H]1CCc2nccn2C1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000369542975 563217340 /nfs/dbraw/zinc/21/73/40/563217340.db2.gz ZIPSXSGXCHDNDG-UKRRQHHQSA-N 1 0 382.917 2.500 20 0 GFADRO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)N[C@H](CCO)c1ccccc1Br ZINC000418405109 563217394 /nfs/dbraw/zinc/21/73/94/563217394.db2.gz DBIUCWPUZRJCQG-APHBMKBZSA-N 1 0 384.318 2.689 20 0 GFADRO [NH3+]C[C@@H](NC(=O)N1CCN(CCc2ccc(Cl)c(Cl)c2)CC1)C1CC1 ZINC000418462013 563217740 /nfs/dbraw/zinc/21/77/40/563217740.db2.gz LDTUOELWMGLYJC-QGZVFWFLSA-N 1 0 385.339 2.600 20 0 GFADRO O=S(=O)(NCC1CC[NH+](C2CC2)CC1)c1ccc(Br)s1 ZINC000277640734 563217965 /nfs/dbraw/zinc/21/79/65/563217965.db2.gz CPYFAKMLNUWMHX-UHFFFAOYSA-N 1 0 379.345 2.663 20 0 GFADRO CC[C@H](c1ccc(Br)cc1)N1CCN(C(=O)NC[C@H](C)C[NH3+])CC1 ZINC000418495314 563218457 /nfs/dbraw/zinc/21/84/57/563218457.db2.gz UEDGWTVZDUCWMM-RHSMWYFYSA-N 1 0 397.361 2.822 20 0 GFADRO [NH3+][C@@H](CNC(=O)N1CCO[C@H](c2cc(F)c(Cl)cc2Cl)C1)C1CC1 ZINC000418497230 563218463 /nfs/dbraw/zinc/21/84/63/563218463.db2.gz JTKAQGYLJSQXQG-GJZGRUSLSA-N 1 0 376.259 2.953 20 0 GFADRO COCCOC1(C[NH2+]Cc2cc(OC)ccc2Br)CCOCC1 ZINC000294843620 563218502 /nfs/dbraw/zinc/21/85/02/563218502.db2.gz RKJDBAYKRYEFAD-UHFFFAOYSA-N 1 0 388.302 2.760 20 0 GFADRO CC[C@@H](Cc1ccccc1Br)N(C)C(=O)NCC[NH2+]CCOC ZINC000418510822 563218592 /nfs/dbraw/zinc/21/85/92/563218592.db2.gz QLWVSAUZYQBWEC-HNNXBMFYSA-N 1 0 386.334 2.648 20 0 GFADRO CN(CCOc1ccc(Br)cc1)C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000418530114 563219553 /nfs/dbraw/zinc/21/95/53/563219553.db2.gz ALOZMPFFXWSEQD-KRWDZBQOSA-N 1 0 384.318 2.859 20 0 GFADRO COCCN(Cc1ccc(Br)s1)C(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000418567399 563219899 /nfs/dbraw/zinc/21/98/99/563219899.db2.gz GLAVNHIVCWZGRS-YPMHNXCESA-N 1 0 390.347 2.667 20 0 GFADRO COCCN(Cc1cc(Br)cs1)C(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000418586382 563220696 /nfs/dbraw/zinc/22/06/96/563220696.db2.gz ZPSMZDMPJCHFQP-RISCZKNCSA-N 1 0 390.347 2.667 20 0 GFADRO COCCN(Cc1sccc1Br)C(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000418600861 563220743 /nfs/dbraw/zinc/22/07/43/563220743.db2.gz TZIXSPBVJPPJDP-DGCLKSJQSA-N 1 0 390.347 2.667 20 0 GFADRO [NH3+]C[C@@H](NC(=O)N[C@@H](CCO)c1ccccc1Br)C1CCCC1 ZINC000418622683 563221336 /nfs/dbraw/zinc/22/13/36/563221336.db2.gz NNVTUWKVPOKEQB-JKSUJKDBSA-N 1 0 384.318 2.689 20 0 GFADRO [NH3+]C[C@@H](NC(=O)N[C@H](CCO)c1ccccc1Br)C1CCCC1 ZINC000418622682 563221483 /nfs/dbraw/zinc/22/14/83/563221483.db2.gz NNVTUWKVPOKEQB-HZPDHXFCSA-N 1 0 384.318 2.689 20 0 GFADRO CCN(Cc1ccc(Cl)s1)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000418609569 563221533 /nfs/dbraw/zinc/22/15/33/563221533.db2.gz FZRUMMHMRLOMCE-LBPRGKRZSA-N 1 0 398.882 2.769 20 0 GFADRO C[C@H]([NH2+]Cc1cnc(N2CCN(C)CC2)nc1)c1ccc(Br)cc1 ZINC000277711335 563222043 /nfs/dbraw/zinc/22/20/43/563222043.db2.gz MRMVYIZIRQWGMC-AWEZNQCLSA-N 1 0 390.329 2.842 20 0 GFADRO COC[C@]1(CNC(=O)N(Cc2cccc(Br)c2)C2CC2)CCC[NH2+]1 ZINC000418650500 563222182 /nfs/dbraw/zinc/22/21/82/563222182.db2.gz FYIWQODLOGTUBU-GOSISDBHSA-N 1 0 396.329 2.892 20 0 GFADRO C[C@@H](NC(=O)N(CCc1ccc(Cl)cc1)C[C@@H](O)C(F)(F)F)[C@H](C)[NH3+] ZINC000418688358 563222201 /nfs/dbraw/zinc/22/22/01/563222201.db2.gz AXGYJGRJYSZJFG-MISXGVKJSA-N 1 0 381.826 2.553 20 0 GFADRO [NH3+]C[C@H]1CC[C@H](CNC(=O)N[C@@H](CCO)c2ccccc2Br)CC1 ZINC000418676719 563222206 /nfs/dbraw/zinc/22/22/06/563222206.db2.gz ZHRYXMWNYBNIKD-ZQIUZPCESA-N 1 0 398.345 2.937 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H](CNC(=O)N2CCN(c3cccc(Br)c3)CC2)C1 ZINC000418717407 563223512 /nfs/dbraw/zinc/22/35/12/563223512.db2.gz JLJHMQMYWIZOHS-GDBMZVCRSA-N 1 0 395.345 2.798 20 0 GFADRO Cc1cccc(C(=O)Nc2cnc3c(c2)C[NH2+]CC3)c1I ZINC000369751648 563224292 /nfs/dbraw/zinc/22/42/92/563224292.db2.gz YVFLRTVNDLBUGM-UHFFFAOYSA-N 1 0 393.228 2.893 20 0 GFADRO O=C(N[C@@H](CCO)c1ccc(Cl)c(Cl)c1)N[C@@H]1C[NH2+]CCC1(F)F ZINC000418749935 563224379 /nfs/dbraw/zinc/22/43/79/563224379.db2.gz CVVAUCLCLAWTRB-QWHCGFSZSA-N 1 0 382.238 2.713 20 0 GFADRO CN(Cc1ccc(F)cc1Br)C(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000418749917 563224535 /nfs/dbraw/zinc/22/45/35/563224535.db2.gz CSLOJYZHLPKZGV-GFCCVEGCSA-N 1 0 380.208 2.727 20 0 GFADRO CN(C(=O)N[C@@H]1C[NH2+]CCC1(F)F)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000418755046 563224552 /nfs/dbraw/zinc/22/45/52/563224552.db2.gz IJHHDMODXSZXSI-MJBXVCDLSA-N 1 0 394.249 2.590 20 0 GFADRO CCCN(C(=O)C(=O)NCCc1cccc(Cl)c1Cl)C1CC[NH2+]CC1 ZINC000418770569 563225214 /nfs/dbraw/zinc/22/52/14/563225214.db2.gz WREQWTGWGCDZNR-UHFFFAOYSA-N 1 0 386.323 2.643 20 0 GFADRO O=C(N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)N1CCc2cc(Br)ccc2C1 ZINC000418796848 563225713 /nfs/dbraw/zinc/22/57/13/563225713.db2.gz RNPSWYVFKWSYLC-FRFSOERESA-N 1 0 378.314 2.905 20 0 GFADRO C[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)[C@@H]1C[NH3+] ZINC000418816991 563226386 /nfs/dbraw/zinc/22/63/86/563226386.db2.gz MBKPOJNMZJJIJT-PDUOOLKUSA-N 1 0 384.307 2.551 20 0 GFADRO CCC([NH3+])(CC)CNC(=O)C(=O)N[C@H](C)c1cc(F)c(Cl)cc1Cl ZINC000418827195 563226639 /nfs/dbraw/zinc/22/66/39/563226639.db2.gz BXXXLWTWDNXLFB-SECBINFHSA-N 1 0 378.275 2.943 20 0 GFADRO CS(=O)(=O)CC1CCC([NH2+]Cc2cc(O)ccc2Br)CC1 ZINC000295075703 563228101 /nfs/dbraw/zinc/22/81/01/563228101.db2.gz HTLQYBDMUSSKRZ-UHFFFAOYSA-N 1 0 376.316 2.848 20 0 GFADRO C[C@H](NC(=O)C(=O)NCCC[NH2+]C1CC1)c1cc(F)c(Cl)cc1Cl ZINC000418850819 563228234 /nfs/dbraw/zinc/22/82/34/563228234.db2.gz OSRDLZFFXPIRHR-VIFPVBQESA-N 1 0 376.259 2.568 20 0 GFADRO COC[C@@]1(C(=O)OC)CCN([C@@H](C)C(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000295073837 563228378 /nfs/dbraw/zinc/22/83/78/563228378.db2.gz CULLLHYUDYALPM-APPDUMDISA-N 1 0 389.279 2.832 20 0 GFADRO C[C@H]1C[C@@H](NC(=O)C(=O)N[C@H]2C[C@H](c3ccc(Cl)c(Cl)c3)C2)CC[NH2+]1 ZINC000418897356 563229670 /nfs/dbraw/zinc/22/96/70/563229670.db2.gz XEKFLHRUVLBXAS-PYJNHQTQSA-N 1 0 384.307 2.612 20 0 GFADRO C[C@@H](NC(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1)c1ccc(Cl)cc1Cl ZINC000418951212 563231927 /nfs/dbraw/zinc/23/19/27/563231927.db2.gz IHOFVBKIEQXXSW-KTMIJUKYSA-N 1 0 384.307 2.756 20 0 GFADRO [NH3+]C[C@@H](NC(=O)C(=O)NCCCc1ccc(Cl)cc1Cl)C1CCCC1 ZINC000419035033 563232240 /nfs/dbraw/zinc/23/22/40/563232240.db2.gz DXMGGIQEJUCMND-MRXNPFEDSA-N 1 0 386.323 2.676 20 0 GFADRO C[NH2+]C[C@H]1CCCN(C(=O)C(=O)N[C@H]2CCc3c2ccc(Cl)c3Cl)C1 ZINC000419096499 563232983 /nfs/dbraw/zinc/23/29/83/563232983.db2.gz LSMNKKJMDCZJQS-ABAIWWIYSA-N 1 0 384.307 2.555 20 0 GFADRO C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@H]1CCCN(CCCO)C1 ZINC000295177843 563233032 /nfs/dbraw/zinc/23/30/32/563233032.db2.gz VFXPSAXEOLRKII-YOEHRIQHSA-N 1 0 398.345 2.603 20 0 GFADRO CCCC[C@@H](C[NH3+])NC(=O)C(=O)N[C@H](CC)Cc1ccccc1Br ZINC000419050526 563233286 /nfs/dbraw/zinc/23/32/86/563233286.db2.gz DHLSQCPAPQEXOV-CABCVRRESA-N 1 0 398.345 2.520 20 0 GFADRO COc1cc(Br)c(C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@@H]2C)cc1OC ZINC000295183173 563233852 /nfs/dbraw/zinc/23/38/52/563233852.db2.gz TXMUDZBMBUOLRD-HZMBPMFUSA-N 1 0 383.286 2.679 20 0 GFADRO C[C@]1(CNC(=O)C(=O)N[C@@H]2CCc3c2ccc(Cl)c3Cl)CCC[NH2+]C1 ZINC000419105626 563233875 /nfs/dbraw/zinc/23/38/75/563233875.db2.gz UVZCOMOPDQBCGA-KDOFPFPSSA-N 1 0 384.307 2.603 20 0 GFADRO C[C@H]([NH2+][C@H]1CCN(CCN2CCOCC2)C1)c1ccc(Br)cc1 ZINC000370115560 563234043 /nfs/dbraw/zinc/23/40/43/563234043.db2.gz XZYUZOKYJLQTFW-YJBOKZPZSA-N 1 0 382.346 2.506 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000370177203 563235246 /nfs/dbraw/zinc/23/52/46/563235246.db2.gz ZETLRSKRCVWJOO-GUYCJALGSA-N 1 0 389.297 2.767 20 0 GFADRO C[C@H](NC(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1cccc(Cl)c1Cl ZINC000419237362 563235296 /nfs/dbraw/zinc/23/52/96/563235296.db2.gz CATMWDPCGZCGNF-UMSGYPCISA-N 1 0 384.307 2.675 20 0 GFADRO C[C@@H](NC(=O)C(=O)N1CCC2(C1)CC[NH2+]CC2)c1cccc(Cl)c1Cl ZINC000419243706 563235354 /nfs/dbraw/zinc/23/53/54/563235354.db2.gz JIYQHHGNNKSOOL-GFCCVEGCSA-N 1 0 384.307 2.773 20 0 GFADRO C[N@H+](Cc1cc(Br)c2c(c1)OCCCO2)[C@H]1CCN2CCO[C@H]1C2 ZINC000295202827 563235755 /nfs/dbraw/zinc/23/57/55/563235755.db2.gz YXUOMEUSTFXBIX-RDJZCZTQSA-N 1 0 397.313 2.515 20 0 GFADRO C[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000419278598 563235994 /nfs/dbraw/zinc/23/59/94/563235994.db2.gz HYVJAWIQROWAGK-AXAPSJFSSA-N 1 0 386.323 2.674 20 0 GFADRO Cc1ccc(NC(=O)CN2CC[NH+]([C@@H]3CCSC3)CC2)c(Br)c1 ZINC000370200092 563236549 /nfs/dbraw/zinc/23/65/49/563236549.db2.gz UKAIRSQZFQMCTI-CQSZACIVSA-N 1 0 398.370 2.819 20 0 GFADRO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1CC(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000419330558 563237001 /nfs/dbraw/zinc/23/70/01/563237001.db2.gz GBYCPWGBAJSSGN-WDEREUQCSA-N 1 0 394.730 2.972 20 0 GFADRO CCC1([NH2+]CC(=O)N(Cc2cccs2)[C@H]2CCS(=O)(=O)C2)CCCC1 ZINC000295259021 563238920 /nfs/dbraw/zinc/23/89/20/563238920.db2.gz REPCIGOLRVKGJT-HNNXBMFYSA-N 1 0 384.567 2.576 20 0 GFADRO C[C@@H]1C[N@H+](CC(=O)Nc2ccc(Cl)c(S(=O)(=O)N(C)C)c2)[C@@H](C)[C@H]1C ZINC000419378983 563239084 /nfs/dbraw/zinc/23/90/84/563239084.db2.gz VXTGWRISDUFREP-AGIUHOORSA-N 1 0 387.933 2.505 20 0 GFADRO C[C@@H]1[C@@H](C)[C@H](C)C[N@@H+]1CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000419378984 563239216 /nfs/dbraw/zinc/23/92/16/563239216.db2.gz VXTGWRISDUFREP-FRRDWIJNSA-N 1 0 387.933 2.505 20 0 GFADRO O=C(NC[C@@H]1CSCCS1)NC1CC[NH+](Cc2ccccc2F)CC1 ZINC000370324174 563239970 /nfs/dbraw/zinc/23/99/70/563239970.db2.gz VHAOTNRYJDKMPY-MRXNPFEDSA-N 1 0 383.558 2.938 20 0 GFADRO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)N[C@@H]1CCc2c1cccc2Br ZINC000419438505 563240210 /nfs/dbraw/zinc/24/02/10/563240210.db2.gz HTYHEZGGULMTID-PBFPGSCMSA-N 1 0 396.329 2.533 20 0 GFADRO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)N[C@@H]1COc2c1ccc(Cl)c2Cl ZINC000419461732 563240500 /nfs/dbraw/zinc/24/05/00/563240500.db2.gz IBXJOMMEDJRIGW-JTNHKYCSSA-N 1 0 388.295 2.523 20 0 GFADRO C[C@@H](Cc1c(Cl)cccc1Cl)NC(=O)C(=O)N(C)[C@H]1CCC[NH2+]CC1 ZINC000419554678 563241604 /nfs/dbraw/zinc/24/16/04/563241604.db2.gz HOKIRZPQORHNIN-STQMWFEESA-N 1 0 386.323 2.641 20 0 GFADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)Nc3ccc([S@](=O)C(F)(F)F)cc3)[C@@H]2C1 ZINC000370366533 563241605 /nfs/dbraw/zinc/24/16/05/563241605.db2.gz PZNVRSVBMVMBJU-KPMDBSTASA-N 1 0 375.416 2.872 20 0 GFADRO COC[C@@H](C)OC[C@H](O)C[N@H+](CCCO)Cc1ccc(Cl)c(Cl)c1 ZINC000278125951 563242192 /nfs/dbraw/zinc/24/21/92/563242192.db2.gz VLCGSIKBPRPINU-UKRRQHHQSA-N 1 0 380.312 2.590 20 0 GFADRO Cc1cc(Br)cc(NC(=O)C(=O)NCC2CC[NH+](C3CC3)CC2)c1 ZINC000278130043 563242206 /nfs/dbraw/zinc/24/22/06/563242206.db2.gz DKPPDSUEVIBJPP-UHFFFAOYSA-N 1 0 394.313 2.687 20 0 GFADRO C[C@@H](NC(=O)C(=O)NCC1C[NH2+]C1)c1ccc(-c2ccc(Cl)cc2)s1 ZINC000419615410 563243909 /nfs/dbraw/zinc/24/39/09/563243909.db2.gz PYOKLXODUKFSQH-LLVKDONJSA-N 1 0 377.897 2.581 20 0 GFADRO O=C(NCc1cc(Cl)sc1Cl)C(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000419638698 563244484 /nfs/dbraw/zinc/24/44/84/563244484.db2.gz UAMWSPQJEQTXGK-UHFFFAOYSA-N 1 0 390.336 2.663 20 0 GFADRO O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)[C@@H]1C[C@@H]1c1ccc(Br)cc1 ZINC000370487519 563245615 /nfs/dbraw/zinc/24/56/15/563245615.db2.gz LNJTVTSUHGNWNK-KZNAEPCWSA-N 1 0 393.325 2.922 20 0 GFADRO Cc1ccc(-n2nc(Br)cc2C(=O)N[C@@H]2CC[NH2+][C@@H](C)C2)cc1 ZINC000278244858 563246580 /nfs/dbraw/zinc/24/65/80/563246580.db2.gz LXJOVCMDCQONKH-QWHCGFSZSA-N 1 0 377.286 2.814 20 0 GFADRO C[C@H]1[NH2+]CCC[C@H]1NC(=O)C(=O)NCC(C)(C)c1c(Cl)cccc1Cl ZINC000419697740 563246979 /nfs/dbraw/zinc/24/69/79/563246979.db2.gz RMBQEIBKWBLRLR-BXUZGUMPSA-N 1 0 386.323 2.644 20 0 GFADRO Cc1c(CNC(=O)C(=O)N2CC[C@H]([C@@H](C)[NH3+])C2)sc2ccc(Cl)cc12 ZINC000419712620 563247660 /nfs/dbraw/zinc/24/76/60/563247660.db2.gz RFCVVTVMGXASAA-NEPJUHHUSA-N 1 0 379.913 2.675 20 0 GFADRO Cc1nc(NC(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)ccc1Br ZINC000370542265 563248097 /nfs/dbraw/zinc/24/80/97/563248097.db2.gz PQOQSPSRTMHICM-UHFFFAOYSA-N 1 0 393.289 3.260 20 0 GFADRO CN(C)c1ncc(CN[C@H](CO)c2ccc(Cl)cc2C(F)(F)F)n1C ZINC000419725747 563248236 /nfs/dbraw/zinc/24/82/36/563248236.db2.gz JBTSBPYXMSVYET-CQSZACIVSA-N 1 0 376.810 2.982 20 0 GFADRO CC[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000419753476 563249531 /nfs/dbraw/zinc/24/95/31/563249531.db2.gz NTESANQVFXLHHZ-DJSGYFEHSA-N 1 0 386.323 2.626 20 0 GFADRO COCCO[C@H]1C[C@@H](CO)C[N@H+](CCOc2cc(Cl)ccc2Cl)C1 ZINC000278315807 563250089 /nfs/dbraw/zinc/25/00/89/563250089.db2.gz NAPFWCOERHYVNO-HIFRSBDPSA-N 1 0 378.296 2.718 20 0 GFADRO CCN(Cc1cccc(Br)c1)C(=O)C(=O)NCC1([NH3+])CCCCC1 ZINC000419810109 563250727 /nfs/dbraw/zinc/25/07/27/563250727.db2.gz XDEOYFHPIQCBIO-UHFFFAOYSA-N 1 0 396.329 2.575 20 0 GFADRO O=S(=O)(CC[NH2+]C1CCN(Cc2cscn2)CC1)c1ccc(Cl)cc1 ZINC000370654088 563251996 /nfs/dbraw/zinc/25/19/96/563251996.db2.gz WKGPKFHHOGMKFC-UHFFFAOYSA-N 1 0 399.969 2.824 20 0 GFADRO C[NH2+][C@H]1CCN(C(=O)[C@H]2CCCN2c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000370721245 563253250 /nfs/dbraw/zinc/25/32/50/563253250.db2.gz GEGPJZWXRHJXKK-WCQYABFASA-N 1 0 376.810 2.543 20 0 GFADRO C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCN2c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000370721237 563253256 /nfs/dbraw/zinc/25/32/56/563253256.db2.gz GEGPJZWXRHJXKK-AAEUAGOBSA-N 1 0 376.810 2.543 20 0 GFADRO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N(Cc1cccs1)Cc1cccs1 ZINC000419955502 563254012 /nfs/dbraw/zinc/25/40/12/563254012.db2.gz NIEMEIMZCZYNAN-CQSZACIVSA-N 1 0 379.551 2.828 20 0 GFADRO C[NH+](C)CC[C@@](C)(O)CNC(=O)c1cc2c(ccc(F)c2Br)[nH]1 ZINC000419971283 563254387 /nfs/dbraw/zinc/25/43/87/563254387.db2.gz DINBPNHTLGZXTM-MRXNPFEDSA-N 1 0 386.265 2.502 20 0 GFADRO CN(Cc1cccc(Cl)c1Cl)C(=O)C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000419968083 563254698 /nfs/dbraw/zinc/25/46/98/563254698.db2.gz PKZKJOUJXQJDKF-HNNXBMFYSA-N 1 0 386.323 2.976 20 0 GFADRO CC[C@H](C(=O)NCc1c(Br)cncc1Br)[NH+](C)C ZINC000295589111 563254997 /nfs/dbraw/zinc/25/49/97/563254997.db2.gz DFBUOOLYUAZPRD-LLVKDONJSA-N 1 0 379.096 2.563 20 0 GFADRO Cc1c(I)cccc1C(=O)N(C1CC1)C1CC[NH2+]CC1 ZINC000370793933 563255432 /nfs/dbraw/zinc/25/54/32/563255432.db2.gz SPCQRWVPWPFUEK-UHFFFAOYSA-N 1 0 384.261 2.956 20 0 GFADRO O=C(N[C@H]1CCC[N@@H+](CCCO)C1)C1(c2cc(F)cc(Br)c2)CC1 ZINC000295605825 563255637 /nfs/dbraw/zinc/25/56/37/563255637.db2.gz XNCYZNCMMMOXCN-INIZCTEOSA-N 1 0 399.304 2.583 20 0 GFADRO O=C(CN1CCC[C@@H]1c1nccs1)N1CCN(Cc2cccs2)CC1 ZINC000370792489 563255752 /nfs/dbraw/zinc/25/57/52/563255752.db2.gz KZOBGYBYDZKYTL-MRXNPFEDSA-N 1 0 376.551 2.686 20 0 GFADRO C[NH+](C)CC[C@](C)(O)CNC(=O)c1cn(-c2ccc(Cl)c(Cl)c2)cn1 ZINC000419996563 563256061 /nfs/dbraw/zinc/25/60/61/563256061.db2.gz LELVHVWBDZWYNE-KRWDZBQOSA-N 1 0 385.295 2.612 20 0 GFADRO CN(C(=O)c1ccccc1Br)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000370821141 563256553 /nfs/dbraw/zinc/25/65/53/563256553.db2.gz SRRQQKXXICPWAH-OAHLLOKOSA-N 1 0 380.330 2.690 20 0 GFADRO O=C1[C@H](N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CCN1c1cccc(Br)c1 ZINC000278486488 563257851 /nfs/dbraw/zinc/25/78/51/563257851.db2.gz PDCPVTZCLYKCIZ-HLLBOEOZSA-N 1 0 378.314 2.771 20 0 GFADRO O=C(NCC1=CC[NH2+]CC1)C(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000420150607 563258626 /nfs/dbraw/zinc/25/86/26/563258626.db2.gz LGNRQSFFPNHPIQ-INIZCTEOSA-N 1 0 382.291 2.693 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)C(=O)N(Cc2cccs2)Cc2cccs2)CC[NH2+]1 ZINC000420116359 563259088 /nfs/dbraw/zinc/25/90/88/563259088.db2.gz HADKQUJSIYLQTP-ZIAGYGMSSA-N 1 0 377.535 2.595 20 0 GFADRO CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000420120017 563259112 /nfs/dbraw/zinc/25/91/12/563259112.db2.gz LQKCEQHNNWWNQT-UHFFFAOYSA-N 1 0 386.323 2.848 20 0 GFADRO Cc1ccc(-n2ncc(N3CC[C@@H]4C[NH2+]C[C@@H]4C3)c(Cl)c2=O)cc1Cl ZINC000420268959 563261182 /nfs/dbraw/zinc/26/11/82/563261182.db2.gz XYDYXEMRAIBWBG-CHWSQXEVSA-N 1 0 379.291 2.893 20 0 GFADRO Ic1cccc2ncnc(N3CCC[C@@]4(CC[NH2+]C4)C3)c12 ZINC000420250712 563261339 /nfs/dbraw/zinc/26/13/39/563261339.db2.gz KHMUAWOMAYZSQQ-INIZCTEOSA-N 1 0 394.260 2.814 20 0 GFADRO [NH3+][C@@H]1CCC[C@H](CNc2ncnc3cccc(I)c32)C1 ZINC000420294835 563261697 /nfs/dbraw/zinc/26/16/97/563261697.db2.gz ZPGXMLZMDRFUNJ-WDEREUQCSA-N 1 0 382.249 3.164 20 0 GFADRO C[C@H]1[C@@H]([NH3+])CCN1S(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000420429853 563263791 /nfs/dbraw/zinc/26/37/91/563263791.db2.gz MHHZVJSBTIBNDZ-CPCISQLKSA-N 1 0 376.322 2.834 20 0 GFADRO CC(C)(C)[C@@H](C[NH3+])NS(=O)(=O)c1cc(Br)sc1Cl ZINC000420445348 563263849 /nfs/dbraw/zinc/26/38/49/563263849.db2.gz FKALZSFDGLRSCG-SSDOTTSWSA-N 1 0 375.741 2.816 20 0 GFADRO Cc1cc(S(=O)(=O)N2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)sc1Br ZINC000420460392 563264382 /nfs/dbraw/zinc/26/43/82/563264382.db2.gz KXVVZWKPJDFOOC-VXGBXAGGSA-N 1 0 393.372 2.972 20 0 GFADRO C[C@@H]1CN(S(=O)(=O)c2cc(Cl)ccc2Br)C[C@@]1(C)C[NH3+] ZINC000420462148 563264580 /nfs/dbraw/zinc/26/45/80/563264580.db2.gz PLNVOPNNGUMZNU-NOZJJQNGSA-N 1 0 381.723 2.708 20 0 GFADRO O=S(=O)(c1cc(F)ccc1Br)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420470262 563265351 /nfs/dbraw/zinc/26/53/51/563265351.db2.gz WOPBSYJTZIBHAI-BXUZGUMPSA-N 1 0 391.306 2.741 20 0 GFADRO C[C@H]1CCN(S(=O)(=O)c2ccc(Br)c(Cl)c2)C[C@@H]1C[NH3+] ZINC000420479698 563265837 /nfs/dbraw/zinc/26/58/37/563265837.db2.gz NLFZXXIJIKYZMP-UWVGGRQHSA-N 1 0 381.723 2.708 20 0 GFADRO CN(C)c1ncc(Br)cc1C(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000371233656 563269272 /nfs/dbraw/zinc/26/92/72/563269272.db2.gz ZRUWUKQEGJPLEF-WFASDCNBSA-N 1 0 381.318 2.514 20 0 GFADRO O=C(c1cc(Br)c2c(c1)OCCO2)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000371234052 563269317 /nfs/dbraw/zinc/26/93/17/563269317.db2.gz BOJGLBKKPZZXNV-IUODEOHRSA-N 1 0 395.297 2.825 20 0 GFADRO O=C(Cc1cccc(I)c1)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000371233608 563269321 /nfs/dbraw/zinc/26/93/21/563269321.db2.gz ZNHLQGJPSYWKGC-GOEBONIOSA-N 1 0 398.288 2.824 20 0 GFADRO O=S(=O)(NC1CC[NH+](CC2CC2)CC1)c1cc(F)ccc1OC(F)F ZINC000420658281 563269877 /nfs/dbraw/zinc/26/98/77/563269877.db2.gz HFDOOCZXQIEKPX-UHFFFAOYSA-N 1 0 378.416 2.580 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2Cc1cc2c(cc1Br)OCO2 ZINC000371300587 563271690 /nfs/dbraw/zinc/27/16/90/563271690.db2.gz QCWKYXNIWIRBFJ-BMFZPTHFSA-N 1 0 397.313 2.861 20 0 GFADRO O=S(=O)(c1cc(F)ccc1OC(F)F)N1CCC([NH+]2CCCC2)CC1 ZINC000420670111 563272283 /nfs/dbraw/zinc/27/22/83/563272283.db2.gz YGEWVLBGYAKSGY-UHFFFAOYSA-N 1 0 378.416 2.676 20 0 GFADRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)S(=O)(=O)c1cc(Cl)ccc1OC(F)F ZINC000420670946 563272557 /nfs/dbraw/zinc/27/25/57/563272557.db2.gz IQVJMCHZSDEDLU-JQWIXIFHSA-N 1 0 382.860 2.902 20 0 GFADRO C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1[NH2+]Cc1c(Br)cnn1C ZINC000278858580 563273611 /nfs/dbraw/zinc/27/36/11/563273611.db2.gz XRWZPDKMQZAEGU-DGCLKSJQSA-N 1 0 387.322 2.918 20 0 GFADRO Cc1cc(Br)oc1C(=O)N1CCC(C)(C[NH+]2CCOCC2)CC1 ZINC000371363693 563273903 /nfs/dbraw/zinc/27/39/03/563273903.db2.gz HBXPOQDOOJMADF-UHFFFAOYSA-N 1 0 385.302 2.925 20 0 GFADRO C[NH+](C)CCN(C1CCCC1)S(=O)(=O)c1cc(F)ccc1OC(F)F ZINC000420699307 563275729 /nfs/dbraw/zinc/27/57/29/563275729.db2.gz RDMIXGIAMHQGGP-UHFFFAOYSA-N 1 0 380.432 2.922 20 0 GFADRO Cc1c([C@H](C)[NH2+]C[C@@]2(O)CCO[C@@H]2C)nnn1-c1cccc(Br)c1 ZINC000278915997 563276101 /nfs/dbraw/zinc/27/61/01/563276101.db2.gz WDLVFKJEQASRJY-PPHDSNJXSA-N 1 0 395.301 2.529 20 0 GFADRO C[C@H](Cc1ccccc1Br)NC(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000278916888 563276162 /nfs/dbraw/zinc/27/61/62/563276162.db2.gz CPEPFVBGWPQKKK-DGCLKSJQSA-N 1 0 377.286 2.610 20 0 GFADRO C[NH+](C)CC1CCC(NS(=O)(=O)c2cc(F)ccc2OC(F)F)CC1 ZINC000420699284 563276237 /nfs/dbraw/zinc/27/62/37/563276237.db2.gz RCTVLDMVQMTZJC-UHFFFAOYSA-N 1 0 380.432 2.826 20 0 GFADRO CC(C)(C)OC(=O)N1CCO[C@@H](C[NH2+]Cc2cncc(Br)c2)C1 ZINC000296195329 563278010 /nfs/dbraw/zinc/27/80/10/563278010.db2.gz CODBUMYPFRHFHA-AWEZNQCLSA-N 1 0 386.290 2.570 20 0 GFADRO Cc1c(Br)cccc1S(=O)(=O)NC1CCC([NH+](C)C)CC1 ZINC000420719868 563278744 /nfs/dbraw/zinc/27/87/44/563278744.db2.gz BBHCCXYHKMZLHP-UHFFFAOYSA-N 1 0 375.332 2.909 20 0 GFADRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NS(=O)(=O)c1cc(F)ccc1OC(F)F ZINC000420716493 563278764 /nfs/dbraw/zinc/27/87/64/563278764.db2.gz CWPFSLYJACRRQQ-NWDGAFQWSA-N 1 0 380.432 2.826 20 0 GFADRO O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cc(F)ccc1I ZINC000371483211 563279014 /nfs/dbraw/zinc/27/90/14/563279014.db2.gz VBJIQELTUBAVNZ-NWDGAFQWSA-N 1 0 388.224 2.787 20 0 GFADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC000296369287 563285035 /nfs/dbraw/zinc/28/50/35/563285035.db2.gz SNNMOWGYNVCVPQ-SJCJKPOMSA-N 1 0 387.307 2.739 20 0 GFADRO CN1C(=O)C[C@@H](C(=O)NC[C@H](c2cccs2)[NH+](C)C)[C@H]1c1cccs1 ZINC000371706052 563285117 /nfs/dbraw/zinc/28/51/17/563285117.db2.gz IACOPENCRCAGGD-XNJGSVPQSA-N 1 0 377.535 2.748 20 0 GFADRO O=C(CCc1cc(F)ccc1Br)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000371726913 563285715 /nfs/dbraw/zinc/28/57/15/563285715.db2.gz ITJYSDKEPVCVGR-LSDHHAIUSA-N 1 0 385.277 2.500 20 0 GFADRO Cc1csc(CNC(=O)N[C@H]2CC[N@@H+](Cc3cnc(C)s3)C[C@@H]2C)n1 ZINC000371741755 563286693 /nfs/dbraw/zinc/28/66/93/563286693.db2.gz NPMHNAVWTJCAKU-NHYWBVRUSA-N 1 0 379.555 2.926 20 0 GFADRO CN(Cc1cc(Br)cs1)C(=O)C[NH2+][C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000296489385 563289164 /nfs/dbraw/zinc/28/91/64/563289164.db2.gz YSKFAFVHORDFCE-BPLDGKMQSA-N 1 0 387.343 2.872 20 0 GFADRO C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+]1C[C@H](C)C[C@@H](CO)C1 ZINC000420931417 563291301 /nfs/dbraw/zinc/29/13/01/563291301.db2.gz DHOLGJTVHSYIHQ-IIAWOOMASA-N 1 0 383.330 2.746 20 0 GFADRO CC1(C)OCC(CO)([NH2+]Cc2ccc(Br)c3cccnc23)CO1 ZINC000279319504 563292341 /nfs/dbraw/zinc/29/23/41/563292341.db2.gz SCWFYVBZBLXRJM-UHFFFAOYSA-N 1 0 381.270 2.601 20 0 GFADRO OCCOC1(C[NH2+][C@H](Cc2ccccc2Br)C2CC2)CCOCC1 ZINC000296563911 563292920 /nfs/dbraw/zinc/29/29/20/563292920.db2.gz UPHFKKIJESJCPE-GOSISDBHSA-N 1 0 398.341 2.918 20 0 GFADRO OCC[C@@H]1CCC[N@H+](C[C@@H](O)COc2cc(F)cc(Br)c2)CC1 ZINC000421021979 563293160 /nfs/dbraw/zinc/29/31/60/563293160.db2.gz UCROOFULRNEILT-CZUORRHYSA-N 1 0 390.293 2.812 20 0 GFADRO C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000420994020 563293166 /nfs/dbraw/zinc/29/31/66/563293166.db2.gz BQVSXRHVTSGZES-YOEHRIQHSA-N 1 0 382.346 2.822 20 0 GFADRO COCCOC[C@H](O)C[N@@H+]1CCCC[C@@H]1Cc1cccc(Br)c1 ZINC000421029411 563294165 /nfs/dbraw/zinc/29/41/65/563294165.db2.gz AUYXCHQQPSARQX-QZTJIDSGSA-N 1 0 386.330 2.870 20 0 GFADRO COC1([C@H](C)[NH2+]CC(=O)NCCc2cccc(Cl)c2Cl)CCOCC1 ZINC000421038643 563294625 /nfs/dbraw/zinc/29/46/25/563294625.db2.gz TWXNHNDGPCFJEL-ZDUSSCGKSA-N 1 0 389.323 2.826 20 0 GFADRO [NH3+][C@H]1CN(S(=O)(=O)c2cnc(Cl)c(Cl)c2)C[C@H]1c1ccc(F)cc1 ZINC000372179809 563297916 /nfs/dbraw/zinc/29/79/16/563297916.db2.gz ORICBIXGLLIVOJ-JSGCOSHPSA-N 1 0 390.267 2.643 20 0 GFADRO CCS(=O)(=O)c1ccc(CNC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)s1 ZINC000279581810 563302079 /nfs/dbraw/zinc/30/20/79/563302079.db2.gz QPROETSYNRNUQD-CQSZACIVSA-N 1 0 389.587 2.707 20 0 GFADRO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H](C(N)=O)c2cccc(Br)c2)C[C@H]1C ZINC000279645441 563304785 /nfs/dbraw/zinc/30/47/85/563304785.db2.gz JTEFTNHPFVWMEL-CAPXZKIUSA-N 1 0 397.313 2.933 20 0 GFADRO C[NH+]1CCC2(CCCN2S(=O)(=O)c2ccc(F)cc2Br)CC1 ZINC000372398696 563304811 /nfs/dbraw/zinc/30/48/11/563304811.db2.gz SWXZQSDWWHJURU-UHFFFAOYSA-N 1 0 391.306 2.837 20 0 GFADRO Cc1ccc(NC(=O)C(=O)NC2CCC([NH+](C)C)CC2)cc1Br ZINC000421286016 563305261 /nfs/dbraw/zinc/30/52/61/563305261.db2.gz CPSXWQVSYJGNKZ-UHFFFAOYSA-N 1 0 382.302 2.685 20 0 GFADRO CCN(C[C@@H](O)C(F)(F)F)C(=O)NC1CC[NH+](Cc2cccs2)CC1 ZINC000372452519 563307130 /nfs/dbraw/zinc/30/71/30/563307130.db2.gz BDQOYOBZDQUIGR-CQSZACIVSA-N 1 0 379.448 2.667 20 0 GFADRO CCN(C[C@H](O)C(F)(F)F)C(=O)NC1CC[NH+](Cc2cccs2)CC1 ZINC000372452518 563307144 /nfs/dbraw/zinc/30/71/44/563307144.db2.gz BDQOYOBZDQUIGR-AWEZNQCLSA-N 1 0 379.448 2.667 20 0 GFADRO C[N@H+](CCCO)C1CCN(C(=O)NCc2cc(F)c(Cl)cc2F)CC1 ZINC000279731889 563308154 /nfs/dbraw/zinc/30/81/54/563308154.db2.gz NIKLQMCPXZPCHW-UHFFFAOYSA-N 1 0 375.847 2.606 20 0 GFADRO CNC(=O)[C@@H]1CC[N@H+](Cc2c(C)nn(-c3ccc(Br)cc3)c2C)C1 ZINC000421373217 563308485 /nfs/dbraw/zinc/30/84/85/563308485.db2.gz DRBZJWLLJXTTKI-CQSZACIVSA-N 1 0 391.313 2.820 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)C[C@H]1CCC[NH2+]CC1 ZINC000372497896 563308653 /nfs/dbraw/zinc/30/86/53/563308653.db2.gz SDASGCUETCVGOD-AWEZNQCLSA-N 1 0 396.329 2.982 20 0 GFADRO COC[C@H]1CN(C(=O)C2CC[NH+](Cc3ccc(Cl)s3)CC2)C[C@H](C)O1 ZINC000372516284 563309164 /nfs/dbraw/zinc/30/91/64/563309164.db2.gz XKEFMPRDPOSHOG-DZGCQCFKSA-N 1 0 386.945 2.876 20 0 GFADRO Cc1ncsc1CCS(=O)(=O)N(C)[C@H](c1ncc[nH]1)c1ccccc1 ZINC000297140252 563316659 /nfs/dbraw/zinc/31/66/59/563316659.db2.gz QSWLQBIDQCQYEP-INIZCTEOSA-N 1 0 376.507 2.768 20 0 GFADRO COC(=O)c1cc(Br)cc(C(=O)NC2CCC([NH+](C)C)CC2)c1 ZINC000421679854 563318794 /nfs/dbraw/zinc/31/87/94/563318794.db2.gz OKBVBCYVTZXZNQ-UHFFFAOYSA-N 1 0 383.286 2.838 20 0 GFADRO Cc1csc(C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)c1Br ZINC000372846962 563319339 /nfs/dbraw/zinc/31/93/39/563319339.db2.gz PIAPNTZMIVEDEQ-GFCCVEGCSA-N 1 0 386.359 2.717 20 0 GFADRO CC(=O)c1cc(Br)ccc1OCC(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000421709661 563319832 /nfs/dbraw/zinc/31/98/32/563319832.db2.gz GIMVTBRHZKHPCH-CQSZACIVSA-N 1 0 383.286 2.583 20 0 GFADRO C[C@H](Cc1ccc(F)cc1Cl)[NH2+]C[C@H]1CCCCN1S(=O)(=O)N(C)C ZINC000421857769 563323349 /nfs/dbraw/zinc/32/33/49/563323349.db2.gz QEPSLENACKZHRC-CZUORRHYSA-N 1 0 391.940 2.661 20 0 GFADRO Cc1c([C@H](C)[NH2+]CC2(CC(N)=O)CC2)nnn1-c1cccc(Br)c1 ZINC000421852115 563323392 /nfs/dbraw/zinc/32/33/92/563323392.db2.gz GVWCFIIKTZQQQD-NSHDSACASA-N 1 0 392.301 2.644 20 0 GFADRO O=S1(=O)CC[C@@H]([NH2+]C2CCN(c3nc(-c4ccccc4)cs3)CC2)C1 ZINC000372993106 563325187 /nfs/dbraw/zinc/32/51/87/563325187.db2.gz NOYJOECDIOUUOP-MRXNPFEDSA-N 1 0 377.535 2.556 20 0 GFADRO CC[C@H](NC1CC[NH+](C2CC2)CC1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000280185186 563326367 /nfs/dbraw/zinc/32/63/67/563326367.db2.gz COZIJWVCBFRTEX-KRWDZBQOSA-N 1 0 385.961 2.916 20 0 GFADRO Cc1c(C(=O)N2CCC(C[NH3+])CC2)cnn1-c1cccc(Br)c1 ZINC000297464750 563326724 /nfs/dbraw/zinc/32/67/24/563326724.db2.gz XWEPICJHDCMAAT-UHFFFAOYSA-N 1 0 377.286 2.754 20 0 GFADRO O=C(c1ccc(I)c(Cl)c1)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000373056645 563326912 /nfs/dbraw/zinc/32/69/12/563326912.db2.gz MAACJJCNSZVKSN-ZANVPECISA-N 1 0 390.652 2.769 20 0 GFADRO O=C(Cc1cc[nH]c(=O)c1Br)N1CCC[C@@H](C[NH+]2CCCCC2)C1 ZINC000373182845 563331262 /nfs/dbraw/zinc/33/12/62/563331262.db2.gz MFBJDSZJFQCIFM-AWEZNQCLSA-N 1 0 396.329 2.817 20 0 GFADRO C[NH+](C)C1CCC(NC(=O)NCc2nc3c(cccc3Br)[nH]2)CC1 ZINC000422214399 563333828 /nfs/dbraw/zinc/33/38/28/563333828.db2.gz SZOQIJXPNWQQCG-UHFFFAOYSA-N 1 0 394.317 2.997 20 0 GFADRO Cc1cc(Br)ccc1C(=O)N1CCC([NH2+][C@@H](C)[C@H](C)CO)CC1 ZINC000373386913 563336977 /nfs/dbraw/zinc/33/69/77/563336977.db2.gz YSIFVSPLDCJXFF-KGLIPLIRSA-N 1 0 383.330 2.969 20 0 GFADRO Cc1cc(Br)cn2cc(CNC(=O)N[C@@H]3CCOC3(C)C)nc12 ZINC000297830534 563337032 /nfs/dbraw/zinc/33/70/32/563337032.db2.gz NIKYIXKGXUWIBS-CYBMUJFWSA-N 1 0 381.274 2.772 20 0 GFADRO Cc1cc(NC(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)cc(F)c1Br ZINC000297858812 563338281 /nfs/dbraw/zinc/33/82/81/563338281.db2.gz LTAGOZPOGJJVKG-UONOGXRCSA-N 1 0 398.276 2.578 20 0 GFADRO CC(C)(CC[NH3+])NS(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCCCO1 ZINC000422554124 563342771 /nfs/dbraw/zinc/34/27/71/563342771.db2.gz VZXIBRSXFKYOHZ-CQSZACIVSA-N 1 0 390.933 2.694 20 0 GFADRO COc1cc(C(F)(F)F)cc(S(=O)(=O)N2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)c1 ZINC000422556796 563343427 /nfs/dbraw/zinc/34/34/27/563343427.db2.gz UOANORAUGIFQFN-SRVKXCTJSA-N 1 0 380.432 2.708 20 0 GFADRO Ic1cccc(OCCCN2CCC3(CC[NH2+]3)CC2)c1 ZINC000422561891 563343526 /nfs/dbraw/zinc/34/35/26/563343526.db2.gz OAWBQKCBYYLCRY-UHFFFAOYSA-N 1 0 386.277 2.888 20 0 GFADRO O=C1NC[C@]2(CCCN(Cc3cc4c(cc3Br)OCCCO4)C2)O1 ZINC000373674742 563346341 /nfs/dbraw/zinc/34/63/41/563346341.db2.gz QIUHTGKYLBKVGD-KRWDZBQOSA-N 1 0 397.269 2.685 20 0 GFADRO CCOC(=O)[C@H]1NCC[C@H]1[NH2+]CC1(c2cccc(Br)c2)CCC1 ZINC000422739371 563348185 /nfs/dbraw/zinc/34/81/85/563348185.db2.gz LIDVWXHQTFYAEY-CVEARBPZSA-N 1 0 381.314 2.754 20 0 GFADRO C[C@H](C[C@@H]1COCCN1)[NH2+]C[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000422895752 563349701 /nfs/dbraw/zinc/34/97/01/563349701.db2.gz GMSUMHWZDHJILP-HLLBOEOZSA-N 1 0 382.346 2.632 20 0 GFADRO C[C@@H]([NH2+]CCC(=O)N(C)Cc1ccccc1Br)c1cnccc1N ZINC000422903558 563350423 /nfs/dbraw/zinc/35/04/23/563350423.db2.gz FQOZCVXXFNMAMO-CYBMUJFWSA-N 1 0 391.313 2.956 20 0 GFADRO Brc1ccc(N2CC[C@H](C[NH2+][C@H](C3CC3)[C@@H]3CNCCO3)C2)cc1 ZINC000422950715 563351521 /nfs/dbraw/zinc/35/15/21/563351521.db2.gz WONTVTWSVDUQHQ-MDASCCDHSA-N 1 0 394.357 2.632 20 0 GFADRO COC[C@@]1(C(=O)Nc2nc3ccc(OC(F)(F)F)cc3s2)CC[NH2+]C1 ZINC000422950400 563351810 /nfs/dbraw/zinc/35/18/10/563351810.db2.gz XYLDOZKAWISFOW-CQSZACIVSA-N 1 0 375.372 2.760 20 0 GFADRO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000422999990 563352382 /nfs/dbraw/zinc/35/23/82/563352382.db2.gz GKTPPASWEOHPKR-WOSRLPQWSA-N 1 0 384.307 2.538 20 0 GFADRO CC[NH2+]CC1CCN(C(=O)C(=O)N(C)Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000422996935 563352498 /nfs/dbraw/zinc/35/24/98/563352498.db2.gz AJOSPPHOPXNVSU-UHFFFAOYSA-N 1 0 386.323 2.800 20 0 GFADRO C[C@H]1CC[NH2+][C@@H](C(=O)N2CCN(C(=O)c3cccc(Cl)c3Cl)CC2)C1 ZINC000422996055 563352608 /nfs/dbraw/zinc/35/26/08/563352608.db2.gz SCECJABZNHUGAM-SWLSCSKDSA-N 1 0 384.307 2.666 20 0 GFADRO CCOC(=O)[C@@H]1NCC[C@H]1[NH2+]CCc1cc(Cl)ccc1Br ZINC000423002145 563352614 /nfs/dbraw/zinc/35/26/14/563352614.db2.gz YKGRXWVQVOKAEL-ZIAGYGMSSA-N 1 0 375.694 2.528 20 0 GFADRO COc1ccc(Br)c(CNC(=O)c2cnn([C@@H]3CCC[NH2+]C3)c2)c1 ZINC000423040488 563353010 /nfs/dbraw/zinc/35/30/10/563353010.db2.gz UHKXEORIQYEIPY-CQSZACIVSA-N 1 0 393.285 2.509 20 0 GFADRO CCOC(=O)[C@H]1NCC[C@@H]1[NH2+]Cc1ccc(Br)cc1C(F)(F)F ZINC000423022773 563353359 /nfs/dbraw/zinc/35/33/59/563353359.db2.gz IKULDCHBDCFWAW-STQMWFEESA-N 1 0 395.219 2.851 20 0 GFADRO C[C@@H]([NH2+][C@@H]1CCCSC1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000280777768 563353790 /nfs/dbraw/zinc/35/37/90/563353790.db2.gz RZBVALRDGDMHNF-MWLCHTKSSA-N 1 0 379.345 2.643 20 0 GFADRO C[NH2+]C[C@H]1CCCN(C(=O)C(=O)N(C)[C@@H](C)c2ccc(Cl)cc2Cl)C1 ZINC000423091891 563354381 /nfs/dbraw/zinc/35/43/81/563354381.db2.gz ZMMIJBVLTATURD-QWHCGFSZSA-N 1 0 386.323 2.971 20 0 GFADRO C[C@H](C[C@@H]1COCC[NH2+]1)NCc1ccc(Cl)cc1I ZINC000423091432 563354912 /nfs/dbraw/zinc/35/49/12/563354912.db2.gz XCBFILSLRKSACV-ZWNOBZJWSA-N 1 0 394.684 2.801 20 0 GFADRO COc1cc(I)c(Cl)cc1CN[C@H]1CCC[C@H]1[NH3+] ZINC000423092579 563354932 /nfs/dbraw/zinc/35/49/32/563354932.db2.gz CKVPAGCQYYOHQM-NEPJUHHUSA-N 1 0 380.657 2.923 20 0 GFADRO CC[N@@H+]1CC[C@H]2OCCN(CCC(=O)Nc3ccc(Br)cc3)[C@H]2C1 ZINC000298410689 563354972 /nfs/dbraw/zinc/35/49/72/563354972.db2.gz PBVFLUWMQCAYRO-DLBZAZTESA-N 1 0 396.329 2.573 20 0 GFADRO CN(Cc1c(Cl)cccc1Cl)C(=O)C(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000423106934 563355366 /nfs/dbraw/zinc/35/53/66/563355366.db2.gz RURGYQMERBBAOB-UHFFFAOYSA-N 1 0 384.307 2.554 20 0 GFADRO CC1(C)CCC[NH2+][C@H]1C(=O)Nc1ncn(Cc2cccc(Br)c2)n1 ZINC000423097875 563355673 /nfs/dbraw/zinc/35/56/73/563355673.db2.gz BQSWPSBHTCOCNO-AWEZNQCLSA-N 1 0 392.301 2.806 20 0 GFADRO [NH3+]CC1(CC(=O)Nc2cc(-c3cc(Br)ccc3Cl)[nH]n2)CC1 ZINC000423124832 563356168 /nfs/dbraw/zinc/35/61/68/563356168.db2.gz PJQACRNDTPALTL-UHFFFAOYSA-N 1 0 383.677 3.560 20 0 GFADRO CC(C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)N1CC[C@H]([C@H](C)[NH3+])C1 ZINC000423169175 563357767 /nfs/dbraw/zinc/35/77/67/563357767.db2.gz VOWWLJPTLZUQKB-JSGCOSHPSA-N 1 0 386.323 2.926 20 0 GFADRO CN1CCN(C)[C@@H](C[NH2+]Cc2ccc(OC(F)(F)F)c(Br)c2)C1 ZINC000280856255 563358259 /nfs/dbraw/zinc/35/82/59/563358259.db2.gz LQTMJJPZJHLNTJ-LBPRGKRZSA-N 1 0 396.251 2.683 20 0 GFADRO CC[C@H](CNC(=O)[C@@]1(COC)CC[NH2+]C1)Cc1cccc(Br)c1 ZINC000423215646 563358780 /nfs/dbraw/zinc/35/87/80/563358780.db2.gz QYWVLGGRBYKMNH-KSSFIOAISA-N 1 0 383.330 2.760 20 0 GFADRO C[C@H](C[C@H]1COCCN1)[NH2+]C1CCN(Cc2cccc(Br)c2)CC1 ZINC000423188853 563358875 /nfs/dbraw/zinc/35/88/75/563358875.db2.gz QQVJGXMGFNHKDK-BEFAXECRSA-N 1 0 396.373 2.770 20 0 GFADRO COCC[N@@H+]1CCCN(C(=O)C2(c3cccc(Br)c3)CC2)CC1 ZINC000298588011 563361008 /nfs/dbraw/zinc/36/10/08/563361008.db2.gz IXLXCVNDNOKIHC-UHFFFAOYSA-N 1 0 381.314 2.661 20 0 GFADRO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423592117 563361923 /nfs/dbraw/zinc/36/19/23/563361923.db2.gz KJIIDDKTLKJEMP-PBWFPOADSA-N 1 0 384.307 2.693 20 0 GFADRO C[NH+]1CCC2(CCCN(C(=O)c3ccncc3I)C2)CC1 ZINC000374098881 563361898 /nfs/dbraw/zinc/36/18/98/563361898.db2.gz HXNVKFNFQCWUNM-UHFFFAOYSA-N 1 0 399.276 2.634 20 0 GFADRO COc1ccc(C(=O)N2CCCC3(CC[NH+](C)CC3)C2)nc1Br ZINC000374151768 563362973 /nfs/dbraw/zinc/36/29/73/563362973.db2.gz RMHZABPTEWCLPN-UHFFFAOYSA-N 1 0 382.302 2.801 20 0 GFADRO [NH3+]CC[C@@H](NC(=O)c1cn(-c2ccc(Br)cc2)cn1)C(F)(F)F ZINC000423750393 563363587 /nfs/dbraw/zinc/36/35/87/563363587.db2.gz UVRYNTHZTQAKNV-GFCCVEGCSA-N 1 0 391.191 2.644 20 0 GFADRO COC[C@@H]([NH2+]CCC(=O)Nc1ccc(Br)cc1F)[C@H]1CCCO1 ZINC000298695526 563364167 /nfs/dbraw/zinc/36/41/67/563364167.db2.gz ZPWMWDAPSOKDHX-HUUCEWRRSA-N 1 0 389.265 2.700 20 0 GFADRO O=C(COc1ccc(F)cc1Br)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000423938042 563364235 /nfs/dbraw/zinc/36/42/35/563364235.db2.gz HFNAHDMGUSEEJX-IUODEOHRSA-N 1 0 385.277 2.958 20 0 GFADRO O=C(c1cccc(I)c1)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000423935673 563364359 /nfs/dbraw/zinc/36/43/59/563364359.db2.gz APLOWDUCWCGOPM-DZGCQCFKSA-N 1 0 384.261 2.895 20 0 GFADRO [NH3+]C[C@@H](NC(=O)c1cc(=O)[nH]c2c(Br)cccc12)C1CCCC1 ZINC000423937038 563364401 /nfs/dbraw/zinc/36/44/01/563364401.db2.gz DSBCNJCIENDJFG-CQSZACIVSA-N 1 0 378.270 2.950 20 0 GFADRO Cc1cc(Br)ccc1C(=O)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000423948779 563364922 /nfs/dbraw/zinc/36/49/22/563364922.db2.gz LOWXGWZZFZJOEC-UHFFFAOYSA-N 1 0 380.330 2.704 20 0 GFADRO O=C(NC1CCC(N2CC[NH2+]CC2)CC1)c1cc(F)ccc1Br ZINC000423951014 563365158 /nfs/dbraw/zinc/36/51/58/563365158.db2.gz ONSOAHFZMSEEEW-UHFFFAOYSA-N 1 0 384.293 2.534 20 0 GFADRO Cc1csc(C(=O)N2CC[C@H](C)[C@@H](C[NH3+])C2)c1I ZINC000424000002 563367308 /nfs/dbraw/zinc/36/73/08/563367308.db2.gz NRVCNVFINSGRBY-WPRPVWTQSA-N 1 0 378.279 2.718 20 0 GFADRO C[C@@H]1CCN(C(=O)c2cc(-c3ccc(Br)cc3)n[nH]2)C[C@H]1C[NH3+] ZINC000424018244 563367313 /nfs/dbraw/zinc/36/73/13/563367313.db2.gz PXPULKGJDHZZIO-DGCLKSJQSA-N 1 0 377.286 2.896 20 0 GFADRO O=C(c1cc(I)ccc1Cl)N1CCC2(CC[NH2+]2)CC1 ZINC000424062929 563368740 /nfs/dbraw/zinc/36/87/40/563368740.db2.gz YWQOMRUHYKLBQB-UHFFFAOYSA-N 1 0 390.652 2.913 20 0 GFADRO C[C@H]([NH2+]C[C@@H]1CCn2ncc(C(N)=O)c2C1)c1ccc(F)cc1Br ZINC000281181548 563369286 /nfs/dbraw/zinc/36/92/86/563369286.db2.gz QQNSWCOAJRJBRI-WDEREUQCSA-N 1 0 395.276 2.797 20 0 GFADRO COc1ccc(Br)c(CC(=O)N2C[C@H]([NH3+])Cc3ccccc32)c1 ZINC000424083467 563370226 /nfs/dbraw/zinc/37/02/26/563370226.db2.gz XCVWQBWFWGXRKM-CQSZACIVSA-N 1 0 375.266 2.917 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)COc1ccc(Br)cc1 ZINC000374425000 563371997 /nfs/dbraw/zinc/37/19/97/563371997.db2.gz XZSOYZINXFBGMX-OIISXLGYSA-N 1 0 397.313 2.538 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2CC(=O)Nc1ccccc1Br ZINC000374429081 563372056 /nfs/dbraw/zinc/37/20/56/563372056.db2.gz NYSTVITUYWJPDJ-XOKHGSTOSA-N 1 0 396.329 2.571 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2CC(=O)Nc1ccccc1Br ZINC000374429083 563372077 /nfs/dbraw/zinc/37/20/77/563372077.db2.gz NYSTVITUYWJPDJ-XYPHTWIQSA-N 1 0 396.329 2.571 20 0 GFADRO CN1CC[C@@H](C[NH2+]C2CCN(Cc3ccccc3Br)CC2)CC1=O ZINC000424186100 563372128 /nfs/dbraw/zinc/37/21/28/563372128.db2.gz HQNHEBJVBHGEPF-OAHLLOKOSA-N 1 0 394.357 2.872 20 0 GFADRO CN1CC[C@@H](C[NH2+]Cc2c(F)ccc(I)c2F)CC1=O ZINC000424186154 563372366 /nfs/dbraw/zinc/37/23/66/563372366.db2.gz HZCDUEKICJEYAM-SECBINFHSA-N 1 0 394.203 2.527 20 0 GFADRO CC[N@@H+]1CCc2c(cccc2NC(=O)C(=O)N2CCC=C(Br)C2)C1 ZINC000374491357 563373753 /nfs/dbraw/zinc/37/37/53/563373753.db2.gz FMIQHVZXRVVRPP-UHFFFAOYSA-N 1 0 392.297 2.514 20 0 GFADRO O=S(=O)(C1CCOCC1)N1CCC([NH2+][C@@H]2CCCc3sccc32)CC1 ZINC000374497357 563374134 /nfs/dbraw/zinc/37/41/34/563374134.db2.gz PVIGHVFHKMQKPI-QGZVFWFLSA-N 1 0 384.567 2.688 20 0 GFADRO Cn1cc([C@@H]2CN(C(=O)C3(c4c(Cl)cccc4Cl)CC3)C[C@H]2[NH3+])cn1 ZINC000424229207 563374332 /nfs/dbraw/zinc/37/43/32/563374332.db2.gz WNFRXDNSUFMXOC-SWLSCSKDSA-N 1 0 379.291 2.712 20 0 GFADRO O=C(CC[N@@H+]1CCC[C@H](c2nnc[nH]2)C1)Nc1ccc(Br)cc1 ZINC000374541432 563375400 /nfs/dbraw/zinc/37/54/00/563375400.db2.gz NLXRNGYMNIGVML-LBPRGKRZSA-N 1 0 378.274 2.775 20 0 GFADRO COc1ccc(Br)c(CC(=O)N2CC3(C[C@@H]2C)CC[NH2+]CC3)c1 ZINC000424246821 563375464 /nfs/dbraw/zinc/37/54/64/563375464.db2.gz VVQVLHPCFYKBOP-ZDUSSCGKSA-N 1 0 381.314 2.991 20 0 GFADRO Cc1nc2ccc(Br)cn2c1C(=O)N[C@@H](C)C1=CC[N@H+](C)CC1 ZINC000281400947 563375992 /nfs/dbraw/zinc/37/59/92/563375992.db2.gz ZLCKDSDYLJMJNX-NSHDSACASA-N 1 0 377.286 2.785 20 0 GFADRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2S(=O)(=O)c2cc3c(cc2Cl)CCC3=O)C1 ZINC000374578742 563376425 /nfs/dbraw/zinc/37/64/25/563376425.db2.gz JWDGIXRSPRZMPQ-XJKSGUPXSA-N 1 0 382.913 2.574 20 0 GFADRO C[C@@H]1CCC[N@@H+]1C1CCN(S(=O)(=O)c2ccc(C(F)(F)F)nc2)CC1 ZINC000374679332 563379219 /nfs/dbraw/zinc/37/92/19/563379219.db2.gz NFUPRPZKCAOXAM-GFCCVEGCSA-N 1 0 377.432 2.738 20 0 GFADRO COc1cc(Br)c(CNC(=O)N[C@@H]2CCCC[C@H]2[NH3+])cc1OC ZINC000424451876 563379615 /nfs/dbraw/zinc/37/96/15/563379615.db2.gz FXIJHFKUAPMKDZ-CHWSQXEVSA-N 1 0 386.290 2.535 20 0 GFADRO C[C@H]1CCC[N@@H+]1C1CCN(S(=O)(=O)c2ccc(C(F)(F)F)nc2)CC1 ZINC000374679333 563380105 /nfs/dbraw/zinc/38/01/05/563380105.db2.gz NFUPRPZKCAOXAM-LBPRGKRZSA-N 1 0 377.432 2.738 20 0 GFADRO O=C(NC[C@@H]1CCC[C@H]1[NH+]1CCOCC1)Nc1ncc(C(F)(F)F)s1 ZINC000374687764 563380251 /nfs/dbraw/zinc/38/02/51/563380251.db2.gz PNCZUQZDWJIWCM-WDEREUQCSA-N 1 0 378.420 2.784 20 0 GFADRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)C(=O)Nc1cc(Cl)c(N)c(Cl)c1 ZINC000299337616 563382221 /nfs/dbraw/zinc/38/22/21/563382221.db2.gz OQJGANSTBBNNKX-QMTHXVAHSA-N 1 0 385.295 2.599 20 0 GFADRO Cc1oc(Br)cc1C(=O)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000424618778 563384209 /nfs/dbraw/zinc/38/42/09/563384209.db2.gz APFKNSGLBKSFST-UHFFFAOYSA-N 1 0 385.302 2.925 20 0 GFADRO CNC(=O)C[NH+]1CCC(Nc2ccnc3ccc(Br)cc32)CC1 ZINC000299527173 563385873 /nfs/dbraw/zinc/38/58/73/563385873.db2.gz FSMLQRHPWNYFPC-UHFFFAOYSA-N 1 0 377.286 2.620 20 0 GFADRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)c1cc(F)ccc1I ZINC000299577058 563386158 /nfs/dbraw/zinc/38/61/58/563386158.db2.gz CVAOZOBBJBXWFN-UONOGXRCSA-N 1 0 388.224 2.787 20 0 GFADRO CC(C)[N@@H+]1CCc2nc(CN3CCN(C4=NC[C@@H](C)S4)CC3)sc2C1 ZINC000374957685 563386678 /nfs/dbraw/zinc/38/66/78/563386678.db2.gz XMRHPNGNDUGSGA-CQSZACIVSA-N 1 0 379.599 2.519 20 0 GFADRO COc1ncc(C(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)cc1Br ZINC000424702992 563388036 /nfs/dbraw/zinc/38/80/36/563388036.db2.gz YZLXXXNCJJNKGX-CYBMUJFWSA-N 1 0 382.302 2.801 20 0 GFADRO C[N@@H+]1CC[C@@H]2CCN(Cc3noc(Cc4ccc(Br)cc4)n3)C[C@@H]21 ZINC000375028106 563388238 /nfs/dbraw/zinc/38/82/38/563388238.db2.gz BROAIPXJLXZTQL-ZBFHGGJFSA-N 1 0 391.313 2.949 20 0 GFADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1cc(Cl)cc(F)c1Br ZINC000375046276 563388823 /nfs/dbraw/zinc/38/88/23/563388823.db2.gz IRUGFJDFJADWGQ-MNOVXSKESA-N 1 0 391.668 2.835 20 0 GFADRO O=S(=O)(CCC(F)(F)F)N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000375106230 563390353 /nfs/dbraw/zinc/39/03/53/563390353.db2.gz QUPJKEFZHCIPHM-ARFHVFGLSA-N 1 0 376.444 2.769 20 0 GFADRO CC[C@@H]1CN(S(=O)(=O)c2ccc(Cl)c(Br)c2)CC[C@H]1[NH3+] ZINC000300208149 563391469 /nfs/dbraw/zinc/39/14/69/563391469.db2.gz WXIDBPXNPRLAEX-NOZJJQNGSA-N 1 0 381.723 2.850 20 0 GFADRO C[C@@H]1C[C@@H](C)C[NH+](CCCNc2ncnc3c2c(Br)nn3C)C1 ZINC000301181000 563395691 /nfs/dbraw/zinc/39/56/91/563395691.db2.gz ZFJNXDXMBOALNN-VXGBXAGGSA-N 1 0 381.322 2.906 20 0 GFADRO CC(C)(C)OC(=O)Nc1ncc(C[NH2+]CCCCCS(C)(=O)=O)s1 ZINC000282054867 563395664 /nfs/dbraw/zinc/39/56/64/563395664.db2.gz PPYSDWBVNUBMSL-UHFFFAOYSA-N 1 0 377.532 2.795 20 0 GFADRO COC(=O)c1ccc(C[NH2+][C@H]2CCC(=O)NC23CCC3)c(Br)c1 ZINC000375266386 563397279 /nfs/dbraw/zinc/39/72/79/563397279.db2.gz FNPLWOKNZCJKSX-AWEZNQCLSA-N 1 0 381.270 2.527 20 0 GFADRO Cn1ncc(NC[C@H]2CCC[N@@H+]2Cc2ccccc2)c(Br)c1=O ZINC000301298107 563399266 /nfs/dbraw/zinc/39/92/66/563399266.db2.gz PWCPVOOZZZUMED-CQSZACIVSA-N 1 0 377.286 2.619 20 0 GFADRO C[C@H](NC(=O)C[NH2+][C@@H]1CCC(=O)N[C@@H]1C1CC1)c1ccc(Cl)c(Cl)c1 ZINC000375338327 563400356 /nfs/dbraw/zinc/40/03/56/563400356.db2.gz QSUXXSUANFLFAP-WQFPPAFTSA-N 1 0 384.307 2.817 20 0 GFADRO C[N@@H+]1C[C@@H]2CCCN(C(=O)c3ccc(I)cc3F)[C@@H]2C1 ZINC000425071336 563403328 /nfs/dbraw/zinc/40/33/28/563403328.db2.gz YOTLNXDCFHGNAI-IINYFYTJSA-N 1 0 388.224 2.597 20 0 GFADRO CC[NH+](CC)CCS(=O)(=O)N1CCC(c2nc3c(s2)CCCC3)CC1 ZINC000425199814 563409973 /nfs/dbraw/zinc/40/99/73/563409973.db2.gz GMKZELFSMRLUAD-UHFFFAOYSA-N 1 0 385.599 2.873 20 0 GFADRO CNC(=O)C1CCN(c2cc[nH+]c3cc(OC)c(Br)cc32)CC1 ZINC000425201981 563410763 /nfs/dbraw/zinc/41/07/63/563410763.db2.gz BYHJRNLBPXDVLF-UHFFFAOYSA-N 1 0 378.270 2.968 20 0 GFADRO C[C@H]([NH2+][C@@H]1C[C@@H]2OCCC[C@@H]12)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000375648961 563413349 /nfs/dbraw/zinc/41/33/49/563413349.db2.gz NTOWLTJEIXVICY-AWRWRYAPSA-N 1 0 379.309 2.859 20 0 GFADRO COc1cc2[nH+]ccc(N[C@@H]3CCc4nc(C)nn4C3)c2cc1Br ZINC000425233390 563413405 /nfs/dbraw/zinc/41/34/05/563413405.db2.gz XCVJLBSXQIYBLR-LLVKDONJSA-N 1 0 388.269 2.755 20 0 GFADRO COc1cc2[nH+]ccc(NC[C@H](O)C3CCOCC3)c2cc1Br ZINC000425238275 563413966 /nfs/dbraw/zinc/41/39/66/563413966.db2.gz URZDEYZNRGCYEP-INIZCTEOSA-N 1 0 381.270 2.627 20 0 GFADRO CSc1nc2ncnc(N3CC[C@@H](OCC[NH+]4CCCCC4)C3)c2s1 ZINC000301847180 563414018 /nfs/dbraw/zinc/41/40/18/563414018.db2.gz NEFCSOXXHSLEBY-CYBMUJFWSA-N 1 0 379.555 2.889 20 0 GFADRO O=C(CCCS(=O)(=O)c1ccc(Cl)cc1)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000375714170 563415427 /nfs/dbraw/zinc/41/54/27/563415427.db2.gz KAOGETSFWLPWQX-MRXNPFEDSA-N 1 0 384.929 2.591 20 0 GFADRO CSc1nc2ncnc(Sc3nnc(C4CC[NH2+]CC4)n3C)c2s1 ZINC000301947310 563416772 /nfs/dbraw/zinc/41/67/72/563416772.db2.gz CVBOHCLSKUARNB-UHFFFAOYSA-N 1 0 379.540 2.555 20 0 GFADRO CS[C@@H]1CC[C@H]1[NH2+]C[C@@H](O)COc1ccc(I)cc1 ZINC000425337947 563419045 /nfs/dbraw/zinc/41/90/45/563419045.db2.gz ANTWICALRSKRCJ-MRVWCRGKSA-N 1 0 393.290 2.515 20 0 GFADRO O=C1CC[C@H]([NH2+]Cc2cc(Br)c3c(c2)OCCCO3)C2(CCC2)N1 ZINC000282669315 563420112 /nfs/dbraw/zinc/42/01/12/563420112.db2.gz JICNFFSAJQFUIS-HNNXBMFYSA-N 1 0 395.297 2.901 20 0 GFADRO CCO[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCN(S(=O)(=O)c3cccs3)C2)C12CCC2 ZINC000375842939 563420653 /nfs/dbraw/zinc/42/06/53/563420653.db2.gz XCHHKJMNHWNWNZ-ARFHVFGLSA-N 1 0 384.567 2.696 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+][C@H](C)C(=O)NCCF ZINC000282681146 563421003 /nfs/dbraw/zinc/42/10/03/563421003.db2.gz NMLUIDIKKXLURL-GFCCVEGCSA-N 1 0 383.265 2.507 20 0 GFADRO CS(=O)(=O)c1ccc(CNC(=O)C[NH2+][C@@H](c2cccs2)C2CC2)cc1 ZINC000425456046 563423183 /nfs/dbraw/zinc/42/31/83/563423183.db2.gz ILARDZFUYLFLGO-GOSISDBHSA-N 1 0 378.519 2.509 20 0 GFADRO CC(C)[C@@H]1C[N@H+](C)CCN1CC(=O)N(C)Cc1ccccc1Br ZINC000425468138 563423894 /nfs/dbraw/zinc/42/38/94/563423894.db2.gz DBHSVAVSPNUWAR-KRWDZBQOSA-N 1 0 382.346 2.680 20 0 GFADRO C[C@H]1CN(c2ncnc3ccc(Br)cc32)CC[N@@H+]1CC(C)(C)O ZINC000302497713 563426007 /nfs/dbraw/zinc/42/60/07/563426007.db2.gz NFKDMGCTLTZTNE-LBPRGKRZSA-N 1 0 379.302 2.674 20 0 GFADRO COC(=O)[C@@H]1CN([C@H](C)c2nnc(C)[nH]2)C[C@H]1c1ccc(Br)cc1 ZINC000425523125 563426463 /nfs/dbraw/zinc/42/64/63/563426463.db2.gz YGUKACLVRKRMOO-WKPIXPDZSA-N 1 0 393.285 2.825 20 0 GFADRO Cn1cc(Br)c(C(=O)N2c3ccccc3CC[C@H]2C[NH+](C)C)n1 ZINC000425601117 563428479 /nfs/dbraw/zinc/42/84/79/563428479.db2.gz FOMYIYNGCAWTSK-ZDUSSCGKSA-N 1 0 377.286 2.706 20 0 GFADRO Cn1ccnc1[C@@H]1CCCN(C(=O)NCc2ccc(O)c(Br)c2)C1 ZINC000376095106 563429101 /nfs/dbraw/zinc/42/91/01/563429101.db2.gz HPHZCGKRQHMTAR-CYBMUJFWSA-N 1 0 393.285 2.977 20 0 GFADRO Cc1nn(C)c(CN2CCC(CC(=O)N3CCCC3)CC2)c1Br ZINC000376095627 563429147 /nfs/dbraw/zinc/42/91/47/563429147.db2.gz MGCFBNAPCRDFRJ-UHFFFAOYSA-N 1 0 383.334 2.716 20 0 GFADRO C[C@@H](N[C@@H](C[NH+](C)C)c1ccc(Cl)cc1)c1cccc(S(N)(=O)=O)c1 ZINC000282951958 563430825 /nfs/dbraw/zinc/43/08/25/563430825.db2.gz CAPNEDPCQVQLDW-ACJLOTCBSA-N 1 0 381.929 2.941 20 0 GFADRO O=C(CN1CCC[C@H]1c1ncc[nH]1)Nc1ccccc1I ZINC000376165949 563431965 /nfs/dbraw/zinc/43/19/65/563431965.db2.gz JUSAHHBXWMZOQB-ZDUSSCGKSA-N 1 0 396.232 2.790 20 0 GFADRO C[N@@H+]1CC[C@H]2CCN(C(=O)Nc3ccccc3I)[C@H]2C1 ZINC000376167849 563432106 /nfs/dbraw/zinc/43/21/06/563432106.db2.gz TUCKZWMFSPYTHD-FZMZJTMJSA-N 1 0 385.249 2.849 20 0 GFADRO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1c1ncc(I)cn1 ZINC000307592797 563434140 /nfs/dbraw/zinc/43/41/40/563434140.db2.gz FZNSTAZMRREVED-CYBMUJFWSA-N 1 0 394.260 2.792 20 0 GFADRO C[C@H](O)C[NH2+]Cc1cc(I)c(Br)cc1F ZINC000309075648 563434777 /nfs/dbraw/zinc/43/47/77/563434777.db2.gz KBQSNGGEGASMSL-LURJTMIESA-N 1 0 388.018 2.663 20 0 GFADRO CC1(C)[C@@H]2OCCC[C@H]2[C@]1([NH3+])C(=O)NCCc1cc(Br)ccc1F ZINC000376252919 563434958 /nfs/dbraw/zinc/43/49/58/563434958.db2.gz JLQLDDMCUQTCCI-SIIHOXLZSA-N 1 0 399.304 2.779 20 0 GFADRO CN(C(=O)c1csc(I)c1)[C@@H]1C[NH+]2CCC1CC2 ZINC000310896883 563435167 /nfs/dbraw/zinc/43/51/67/563435167.db2.gz ZYUWQFFBAUQHDH-LLVKDONJSA-N 1 0 376.263 2.519 20 0 GFADRO Cc1[nH]cc(C(=O)N2CCC([N@H+]3CCC[C@H]3C)CC2)c(=O)c1Br ZINC000376258133 563435442 /nfs/dbraw/zinc/43/54/42/563435442.db2.gz NROQPGDJXWREIZ-LLVKDONJSA-N 1 0 382.302 2.535 20 0 GFADRO Cc1ccc(Br)cc1CN1C(=O)N[C@]2(CCCC[C@@H]2C[NH3+])C1=O ZINC000313751883 563438433 /nfs/dbraw/zinc/43/84/33/563438433.db2.gz FYVAEKRGMUYCRE-DYVFJYSZSA-N 1 0 380.286 2.697 20 0 GFADRO COCCC[N@@H+]1CCCN(C[C@@H](O)c2ccc(F)c(Br)c2)CC1 ZINC000376339459 563438856 /nfs/dbraw/zinc/43/88/56/563438856.db2.gz HNQNEHDKSAZPLJ-QGZVFWFLSA-N 1 0 389.309 2.666 20 0 GFADRO O=S(=O)(c1c(Cl)cccc1Br)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000314500493 563439247 /nfs/dbraw/zinc/43/92/47/563439247.db2.gz MKVDBFABOGMHRC-NSHDSACASA-N 1 0 393.734 2.961 20 0 GFADRO O=C(Cc1ccc(Cl)s1)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000283227880 563439375 /nfs/dbraw/zinc/43/93/75/563439375.db2.gz OPKLNGDUIKUFLI-WBVHZDCISA-N 1 0 378.925 2.943 20 0 GFADRO CC[N@H+](CCNC(=O)N[C@@H]1CCO[C@]2(CCSC2)C1)CCC(F)(F)F ZINC000425980293 563441674 /nfs/dbraw/zinc/44/16/74/563441674.db2.gz WBLGHAJTLGAFEY-UKRRQHHQSA-N 1 0 383.480 2.615 20 0 GFADRO O=S(=O)(c1ccc(Br)c(F)c1)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000318315779 563443048 /nfs/dbraw/zinc/44/30/48/563443048.db2.gz PCWVWIQZSSIUPB-LSDHHAIUSA-N 1 0 391.306 2.883 20 0 GFADRO C[C@H](CNS(=O)(=O)c1ccc(Br)c(F)c1)C[NH+]1CCCCC1 ZINC000318215683 563443418 /nfs/dbraw/zinc/44/34/18/563443418.db2.gz UCDSNLPBMBEBFO-GFCCVEGCSA-N 1 0 393.322 2.989 20 0 GFADRO Cc1cc(NC(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)cc(C)c1Br ZINC000426105407 563443507 /nfs/dbraw/zinc/44/35/07/563443507.db2.gz UULAISQWLYRFQK-LSDHHAIUSA-N 1 0 394.313 2.747 20 0 GFADRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)Nc1cc(C)c(Br)c(C)c1 ZINC000426165722 563445521 /nfs/dbraw/zinc/44/55/21/563445521.db2.gz JXMDDAHUDLMWGO-CYBMUJFWSA-N 1 0 384.318 2.851 20 0 GFADRO O[C@H](C[NH2+]Cc1cccc2c1OCO2)COc1ccc(Br)cc1 ZINC000320384473 563446497 /nfs/dbraw/zinc/44/64/97/563446497.db2.gz RLTWZRDYBCGWRX-CQSZACIVSA-N 1 0 380.238 2.707 20 0 GFADRO O[C@H](C[NH2+]C[C@H]1Cc2ccccc2O1)COc1cccc(Br)c1 ZINC000320580134 563446828 /nfs/dbraw/zinc/44/68/28/563446828.db2.gz AKXNPUREXGMIDK-NVXWUHKLSA-N 1 0 378.266 2.782 20 0 GFADRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)N1CCOc2ccc(Br)cc2C1 ZINC000283558631 563448215 /nfs/dbraw/zinc/44/82/15/563448215.db2.gz INVAXEQOMXUTEX-ZDUSSCGKSA-N 1 0 394.313 2.837 20 0 GFADRO COc1cc([C@H](C)[NH2+]CCc2nnc(C(C)C)s2)ccc1S(C)(=O)=O ZINC000426312554 563448478 /nfs/dbraw/zinc/44/84/78/563448478.db2.gz JZUZFCSDJKFZTD-LBPRGKRZSA-N 1 0 383.539 2.967 20 0 GFADRO CN(CC[N@H+](C)C1CC1)C(=O)N[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000426422559 563450044 /nfs/dbraw/zinc/45/00/44/563450044.db2.gz XDRQKWAXSXCXAA-HNNXBMFYSA-N 1 0 395.345 2.763 20 0 GFADRO [NH3+][C@H]1CC[C@H](NC(=O)c2cc(Cl)ccc2I)CC1 ZINC000322621967 563450214 /nfs/dbraw/zinc/45/02/14/563450214.db2.gz SAFIXDPKOVPNMK-MGCOHNPYSA-N 1 0 378.641 2.944 20 0 GFADRO C[NH+](C)[C@@H]1CCCN(C(=O)N[C@H]2CCN(c3cccc(Br)c3)C2)C1 ZINC000426456474 563451523 /nfs/dbraw/zinc/45/15/23/563451523.db2.gz DDWDUKGMRRDZBF-DOTOQJQBSA-N 1 0 395.345 2.763 20 0 GFADRO COc1ccc(C[NH2+]C[C@H](O)COc2cccc(Br)c2)c(OC)c1 ZINC000324794094 563453006 /nfs/dbraw/zinc/45/30/06/563453006.db2.gz GHMDHKRVSWUYLZ-HNNXBMFYSA-N 1 0 396.281 2.996 20 0 GFADRO CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1([NH3+])C(=O)N1CCc2c(Br)cccc2C1 ZINC000377009360 563460814 /nfs/dbraw/zinc/46/08/14/563460814.db2.gz GYYVMSLDHVKURU-ZSZQSSIHSA-N 1 0 393.325 2.866 20 0 GFADRO CC(C)[NH+]1CCC(O)(CNC(=O)c2c(F)ccc(Br)c2F)CC1 ZINC000427160596 563461222 /nfs/dbraw/zinc/46/12/22/563461222.db2.gz PJEHPRSSHGUUKR-UHFFFAOYSA-N 1 0 391.256 2.692 20 0 GFADRO CSC1(CNC(=O)[C@@](C)(O)CSc2cccc(F)c2)CC[NH+](C)CC1 ZINC000427215233 563462860 /nfs/dbraw/zinc/46/28/60/563462860.db2.gz JKEONYZXWDJAOL-KRWDZBQOSA-N 1 0 386.558 2.612 20 0 GFADRO Cc1[nH]c(=O)c(C(=O)N2CC[N@@H+](C)CC23CCCCC3)cc1Br ZINC000427228435 563462868 /nfs/dbraw/zinc/46/28/68/563462868.db2.gz VZMRWPPOZDQHLI-UHFFFAOYSA-N 1 0 382.302 2.949 20 0 GFADRO Cc1csc(-c2cccc(S(=O)(=O)N3CCN4CCCC[C@H]4C3)c2)n1 ZINC000328686235 563463043 /nfs/dbraw/zinc/46/30/43/563463043.db2.gz YBMRHHQGUNGJDD-INIZCTEOSA-N 1 0 377.535 2.977 20 0 GFADRO COc1cccc([C@H](CNS(=O)(=O)CCC(F)(F)F)[NH+]2CCCC2)c1 ZINC000284071091 563463074 /nfs/dbraw/zinc/46/30/74/563463074.db2.gz ZCFDKAKYJRXWNE-HNNXBMFYSA-N 1 0 380.432 2.704 20 0 GFADRO CC(C)[NH2+]C1CCN(C(=O)C(=O)NCCSc2ccc(Cl)cc2)CC1 ZINC000284314663 563470007 /nfs/dbraw/zinc/47/00/07/563470007.db2.gz VBPHSOKUYZPCDD-UHFFFAOYSA-N 1 0 383.945 2.537 20 0 GFADRO COCC[C@H](Cc1cccc(Br)c1)C(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000427570935 563470042 /nfs/dbraw/zinc/47/00/42/563470042.db2.gz BFCFCVGYBGDXEI-UNEWFSDZSA-N 1 0 383.330 2.759 20 0 GFADRO CC[NH+]1CCN(CCC(=O)N(C)Cc2ccc(Br)c(F)c2)CC1 ZINC000427581445 563470201 /nfs/dbraw/zinc/47/02/01/563470201.db2.gz XXEIXCRPGFWXDY-UHFFFAOYSA-N 1 0 386.309 2.574 20 0 GFADRO Cc1c2cc(Br)cc(C)c2oc1C(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000427655891 563471508 /nfs/dbraw/zinc/47/15/08/563471508.db2.gz UFKMSHCGBHPTRP-QGZVFWFLSA-N 1 0 383.286 2.855 20 0 GFADRO Cc1nc([C@@H]2CCCN(Cc3cc4c(c(Br)c3)OCO4)C2)n[nH]1 ZINC000329112243 563473250 /nfs/dbraw/zinc/47/32/50/563473250.db2.gz RHTSNIYCPSKFFW-GFCCVEGCSA-N 1 0 379.258 2.984 20 0 GFADRO CC1CC[NH+](C[C@@H](O)CNC(=O)c2c[nH]nc2-c2ccc(Cl)s2)CC1 ZINC000427749810 563473661 /nfs/dbraw/zinc/47/36/61/563473661.db2.gz VRQCFOOARLCMJF-LBPRGKRZSA-N 1 0 382.917 2.614 20 0 GFADRO O=C(Nc1cnccc1-n1ccnn1)c1ccccc1I ZINC000377445079 563475102 /nfs/dbraw/zinc/47/51/02/563475102.db2.gz GOEVRFDXAUVFPJ-UHFFFAOYSA-N 1 0 391.172 2.519 20 0 GFADRO C[C@@H]1Cc2cc(S(=O)(=O)N3CCC[C@@H]4C[N@H+](C)CC[C@@H]43)cc(Cl)c2O1 ZINC000427797419 563475620 /nfs/dbraw/zinc/47/56/20/563475620.db2.gz KXTFTJFOURXJHY-XNJGSVPQSA-N 1 0 384.929 2.768 20 0 GFADRO O=C(NCc1cccc(Br)c1)NC[C@H]1CCC[C@@H]1[NH+]1CCOCC1 ZINC000377553683 563478522 /nfs/dbraw/zinc/47/85/22/563478522.db2.gz QLJNSQUZVDNEQG-WBVHZDCISA-N 1 0 396.329 2.749 20 0 GFADRO C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000377536283 563478541 /nfs/dbraw/zinc/47/85/41/563478541.db2.gz RYQQBUAEFWVTAR-XIKOKIGWSA-N 1 0 384.307 2.714 20 0 GFADRO Cn1nccc1[C@H]1[C@H]([NH2+]Cc2ccc(Br)cc2F)CCC(=O)N1C ZINC000284539968 563479539 /nfs/dbraw/zinc/47/95/39/563479539.db2.gz MZTRECFNFBJBOQ-RHSMWYFYSA-N 1 0 395.276 2.773 20 0 GFADRO CC(C)N1CC[C@@H](NS(=O)(=O)N2CCCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000329439158 563479585 /nfs/dbraw/zinc/47/95/85/563479585.db2.gz JWIGOQIBYAGUIL-IAGOWNOFSA-N 1 0 389.924 2.933 20 0 GFADRO CCOc1cc(Br)c(F)cc1NC(=O)CN1CC[NH+](CC)CC1 ZINC000427984620 563479768 /nfs/dbraw/zinc/47/97/68/563479768.db2.gz NSNLVGBHIPATTI-UHFFFAOYSA-N 1 0 388.281 2.563 20 0 GFADRO CO[C@@H]1COC[C@H]1n1cc(CN[C@@H]2CCSc3c(Cl)cccc32)nn1 ZINC000329495804 563481572 /nfs/dbraw/zinc/48/15/72/563481572.db2.gz FUWMKAWEPIURCB-BZUAXINKSA-N 1 0 380.901 2.845 20 0 GFADRO CCc1[nH]nc(-c2nc([C@@H]3C[N@@H+]4CCC[C@]4(C)CO3)no2)c1Br ZINC000329549922 563482836 /nfs/dbraw/zinc/48/28/36/563482836.db2.gz COUWHNIKKQHMGZ-ZUZCIYMTSA-N 1 0 382.262 2.710 20 0 GFADRO Cn1nccc1[C@H]1[C@H]([NH2+]Cc2ccc(F)cc2Br)CCC(=O)N1C ZINC000284633482 563483464 /nfs/dbraw/zinc/48/34/64/563483464.db2.gz UCPZGZVUKLDGED-RHSMWYFYSA-N 1 0 395.276 2.773 20 0 GFADRO O=C(NCC1([NH+]2CCCC2)CCOCC1)Nc1cc(Br)ccn1 ZINC000284657505 563484282 /nfs/dbraw/zinc/48/42/82/563484282.db2.gz FTFCMCZHGSXYGS-UHFFFAOYSA-N 1 0 383.290 2.611 20 0 GFADRO O=S(=O)(CCC(F)(F)F)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000377767726 563485741 /nfs/dbraw/zinc/48/57/41/563485741.db2.gz IOBURAFDEZKDNX-CVEARBPZSA-N 1 0 376.444 2.723 20 0 GFADRO CCCOc1c(Br)cc(C[N@@H+]2CC[C@H](CC(N)=O)C2)cc1OC ZINC000377847003 563488650 /nfs/dbraw/zinc/48/86/50/563488650.db2.gz IHZUFGMHPVGJAG-GFCCVEGCSA-N 1 0 385.302 2.944 20 0 GFADRO C[NH2+][C@@H]1CCN(C(=O)c2ccc(NC(=O)CSc3cccs3)cc2)C1 ZINC000428413250 563491751 /nfs/dbraw/zinc/49/17/51/563491751.db2.gz YPGVXXAFCKHVGL-OAHLLOKOSA-N 1 0 375.519 2.913 20 0 GFADRO CSc1nc(=O)[nH]c(C)c1C(=O)NC[C@H]1CC[N@H+](C)[C@H]1c1cccs1 ZINC000377941029 563491880 /nfs/dbraw/zinc/49/18/80/563491880.db2.gz AAGBNBKPWDOEGU-BXUZGUMPSA-N 1 0 378.523 2.697 20 0 GFADRO O=C(Nc1cc(Cl)c(Cl)cc1Cl)C(=O)N[C@H]1CCc2[nH]cnc2C1 ZINC000377965172 563492163 /nfs/dbraw/zinc/49/21/63/563492163.db2.gz JKQFNFDUSSDHNB-ZETCQYMHSA-N 1 0 387.654 2.982 20 0 GFADRO CC[NH+](CC)[C@@H](CNC(=O)C(=O)Nc1cccc(Cl)n1)c1ccsc1 ZINC000284860145 563492760 /nfs/dbraw/zinc/49/27/60/563492760.db2.gz UMZBWBKXSXKZOJ-ZDUSSCGKSA-N 1 0 380.901 2.934 20 0 GFADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]Cc1cn(C)nc1C(F)(F)F ZINC000428456532 563493416 /nfs/dbraw/zinc/49/34/16/563493416.db2.gz FPCFVHLFOTYILB-SECBINFHSA-N 1 0 393.207 2.541 20 0 GFADRO Cn1cc(Br)cc1C(=O)Nc1cccc(C[N@@H+]2CC[C@@H](O)C2)c1 ZINC000428537747 563494712 /nfs/dbraw/zinc/49/47/12/563494712.db2.gz OOLSXVPEQUMOPG-OAHLLOKOSA-N 1 0 378.270 2.607 20 0 GFADRO CN(C)c1ccncc1C[NH2+]C[C@H](CO)Cc1ccccc1Br ZINC000428549509 563495519 /nfs/dbraw/zinc/49/55/19/563495519.db2.gz PXZXUIJKRCTPQY-CQSZACIVSA-N 1 0 378.314 2.851 20 0 GFADRO C[C@H](NC(=O)N[C@H]1C[C@H](C)S(=O)(=O)c2sccc21)C(C)(C)C[NH+](C)C ZINC000378111698 563496519 /nfs/dbraw/zinc/49/65/19/563496519.db2.gz IXESRCMSCNBOIF-OBJOEFQTSA-N 1 0 387.571 2.631 20 0 GFADRO C[C@@H](CC[NH+](C)C)NC(=O)Nc1ccc(F)cc1I ZINC000428777707 563501652 /nfs/dbraw/zinc/50/16/52/563501652.db2.gz JORZJZMFHNSANT-VIFPVBQESA-N 1 0 379.217 2.892 20 0 GFADRO O=C(NCCC[NH2+][C@H]1CCS(=O)(=O)c2ccc(F)cc21)c1cccs1 ZINC000378439357 563506593 /nfs/dbraw/zinc/50/65/93/563506593.db2.gz OXEHMIOTCBPETD-AWEZNQCLSA-N 1 0 382.482 2.515 20 0 GFADRO [NH3+]C[C@H]1CCCCN1C(=O)c1cc(I)ccc1Cl ZINC000429009437 563506781 /nfs/dbraw/zinc/50/67/81/563506781.db2.gz OWDAWQNNCRYUOA-SNVBAGLBSA-N 1 0 378.641 2.898 20 0 GFADRO COc1ccc(CCC(=O)N2CC[C@H]3CC[N@H+](C)[C@@H]3C2)cc1Br ZINC000378461552 563507302 /nfs/dbraw/zinc/50/73/02/563507302.db2.gz LDUVOXNEZGHDNO-GDBMZVCRSA-N 1 0 381.314 2.943 20 0 GFADRO OC[C@H]([NH2+]C[C@H](O)COCc1ccccc1)c1ccc(Br)c(F)c1 ZINC000429018120 563507889 /nfs/dbraw/zinc/50/78/89/563507889.db2.gz GIDUOVSDOLEETB-YJBOKZPZSA-N 1 0 398.272 2.789 20 0 GFADRO OC[C@@H]([NH2+]C[C@@H](O)COc1ccccc1)c1ccc(Br)c(F)c1 ZINC000429016000 563507947 /nfs/dbraw/zinc/50/79/47/563507947.db2.gz AIRAOGPZAOZUEU-CXAGYDPISA-N 1 0 384.245 2.651 20 0 GFADRO CC(C)c1ccc(Cl)c(S(=O)(=O)NC[C@@H](C)CN2CC[NH+](C)CC2)c1 ZINC000330509562 563508792 /nfs/dbraw/zinc/50/87/92/563508792.db2.gz JARFSHXMTAXFMV-OAHLLOKOSA-N 1 0 387.977 2.625 20 0 GFADRO CNS(=O)(=O)[C@H]1CC[N@H+](CCSc2ccnc3cc(Cl)ccc32)C1 ZINC000378489179 563509069 /nfs/dbraw/zinc/50/90/69/563509069.db2.gz AGRVLYZTFGVZGB-ZDUSSCGKSA-N 1 0 385.942 2.604 20 0 GFADRO O=C([C@@H]1COc2ccc(Br)cc21)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000378499359 563509109 /nfs/dbraw/zinc/50/91/09/563509109.db2.gz PWNRECUPFRWVQD-CVEARBPZSA-N 1 0 379.298 2.916 20 0 GFADRO C[NH+](C)CCCC1CCN(S(=O)(=O)c2cncc(Br)c2)CC1 ZINC000330568780 563510834 /nfs/dbraw/zinc/51/08/34/563510834.db2.gz MKEQDYMAVUOIMD-UHFFFAOYSA-N 1 0 390.347 2.587 20 0 GFADRO CC(C)[C@@H]([NH3+])CNC(=O)c1nnn(-c2ccc(Br)cc2)c1C1CC1 ZINC000429134459 563511063 /nfs/dbraw/zinc/51/10/63/563511063.db2.gz KDSVQONCARSEGB-AWEZNQCLSA-N 1 0 392.301 2.620 20 0 GFADRO C[C@@H](NC(=O)N1CCC(n2cc(Br)cn2)CC1)C1=CC[N@H+](C)CC1 ZINC000378562167 563511539 /nfs/dbraw/zinc/51/15/39/563511539.db2.gz DZGWGNIMMRKXFT-CYBMUJFWSA-N 1 0 396.333 2.643 20 0 GFADRO CC(C)Cc1ncnc(N2CCC[C@H]2C[NH+](C)C)c1I ZINC000429210604 563511905 /nfs/dbraw/zinc/51/19/05/563511905.db2.gz IOOGWIPSRASGCM-LBPRGKRZSA-N 1 0 388.297 2.810 20 0 GFADRO O=C(NCC[C@H]1CCC[NH2+]C1)c1cc(F)ccc1I ZINC000429216982 563512583 /nfs/dbraw/zinc/51/25/83/563512583.db2.gz QQEXBLKZSKFYMR-SNVBAGLBSA-N 1 0 376.213 2.550 20 0 GFADRO CS(=O)(=O)N[C@H]1CCCC[C@@H]1[NH2+]Cc1cc(Br)ccc1F ZINC000330609184 563513471 /nfs/dbraw/zinc/51/34/71/563513471.db2.gz NMSLQKREUSBBQK-KBPBESRZSA-N 1 0 379.295 2.538 20 0 GFADRO C[C@H]([NH2+][C@H]1CCCC[C@@H]1NS(C)(=O)=O)c1cccc(Br)c1 ZINC000330614522 563513897 /nfs/dbraw/zinc/51/38/97/563513897.db2.gz SWFBEIHCDLPNKR-CQDKDKBSSA-N 1 0 375.332 2.960 20 0 GFADRO CN(CCN(C)S(=O)(=O)c1csc2ccccc21)C1CC[NH+](C)CC1 ZINC000285337041 563515230 /nfs/dbraw/zinc/51/52/30/563515230.db2.gz YAZJPSSSVIMWCR-UHFFFAOYSA-N 1 0 381.567 2.548 20 0 GFADRO CCS(=O)(=O)NCC[NH2+][C@@H]1c2cccc(Br)c2CC1(C)C ZINC000429366411 563515258 /nfs/dbraw/zinc/51/52/58/563515258.db2.gz YPYPGNHJIOIMPD-CQSZACIVSA-N 1 0 375.332 2.601 20 0 GFADRO CC1(C)Cc2c(cccc2Br)[C@H]1[NH2+]CCN1CCCS1(=O)=O ZINC000429369054 563515430 /nfs/dbraw/zinc/51/54/30/563515430.db2.gz YTEVJHTVKKVTJK-OAHLLOKOSA-N 1 0 387.343 2.698 20 0 GFADRO CNS(=O)(=O)CCC[NH2+][C@@H]1c2cccc(Br)c2CC1(C)C ZINC000429391419 563516363 /nfs/dbraw/zinc/51/63/63/563516363.db2.gz ZUQJUDAEUYRBLC-CQSZACIVSA-N 1 0 375.332 2.601 20 0 GFADRO COC(=O)C1CCC([NH2+]C[C@@H](CO)Cc2ccc(Br)cc2)CC1 ZINC000429417316 563516473 /nfs/dbraw/zinc/51/64/73/563516473.db2.gz MYBUYTSWRDGRGR-UQPPLGOBSA-N 1 0 384.314 2.922 20 0 GFADRO CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1c2cccc(Br)c2CC1(C)C ZINC000429402238 563516483 /nfs/dbraw/zinc/51/64/83/563516483.db2.gz CFHBYRATLXBILY-QMTHXVAHSA-N 1 0 382.302 2.896 20 0 GFADRO [NH3+]CC[C@H](NC(=O)c1cc(Br)ccc1Br)C(F)F ZINC000383499769 563517257 /nfs/dbraw/zinc/51/72/57/563517257.db2.gz ZGAVFOCWFIHQOG-VIFPVBQESA-N 1 0 386.034 2.924 20 0 GFADRO C[C@@H]1CC[C@@H]([N@H+](C)CC(=O)NCC(=O)Nc2ccccc2Br)C1 ZINC000429584661 563518868 /nfs/dbraw/zinc/51/88/68/563518868.db2.gz GAAPUENCVIMISV-CHWSQXEVSA-N 1 0 382.302 2.624 20 0 GFADRO C[C@H]1CC[C@H]([N@H+](C)CC(=O)NCC(=O)Nc2ccccc2Br)C1 ZINC000429584666 563519160 /nfs/dbraw/zinc/51/91/60/563519160.db2.gz GAAPUENCVIMISV-STQMWFEESA-N 1 0 382.302 2.624 20 0 GFADRO C[C@H]1C[C@H](C)C[NH+](CCCNS(=O)(=O)c2ccc(Br)o2)C1 ZINC000330800955 563521467 /nfs/dbraw/zinc/52/14/67/563521467.db2.gz CXNDXAPHRUDATL-RYUDHWBXSA-N 1 0 379.320 2.688 20 0 GFADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)c1cccc2cccc(Br)c21 ZINC000285491509 563523326 /nfs/dbraw/zinc/52/33/26/563523326.db2.gz PKGCJDNFBKMGSN-AWEZNQCLSA-N 1 0 390.325 2.968 20 0 GFADRO CN(C[C@@H]1CCC[N@H+](Cc2cnc(-c3ccccc3)s2)C1)S(C)(=O)=O ZINC000285523155 563525014 /nfs/dbraw/zinc/52/50/14/563525014.db2.gz GWVNUYFXXKEVTL-HNNXBMFYSA-N 1 0 379.551 2.914 20 0 GFADRO [NH3+][C@H](CC1CCCCC1)C(=O)N1CCN(c2ccc(Br)cn2)CC1 ZINC000392172724 563526295 /nfs/dbraw/zinc/52/62/95/563526295.db2.gz PINSXEZOALMEFV-MRXNPFEDSA-N 1 0 395.345 2.790 20 0 GFADRO COCC[C@]1(C(=O)NCCCOc2ccc(Cl)cc2Cl)CC[NH2+]C1 ZINC000429894844 563528124 /nfs/dbraw/zinc/52/81/24/563528124.db2.gz FYGLONLLFOLXLA-QGZVFWFLSA-N 1 0 375.296 2.895 20 0 GFADRO C[C@H](Cc1ccc(Br)cc1)C(=O)N1C[C@@H](N2CCOCC2)C[C@H]1C ZINC000285685074 563532510 /nfs/dbraw/zinc/53/25/10/563532510.db2.gz GOLMLMANHKNSAD-RKVPGOIHSA-N 1 0 395.341 2.949 20 0 GFADRO C[NH+]1CC2(C1)CCN(C(=O)c1ccc(Br)cc1Br)C2 ZINC000398739201 563532961 /nfs/dbraw/zinc/53/29/61/563532961.db2.gz YJHYFWVATGLPIY-UHFFFAOYSA-N 1 0 388.103 2.989 20 0 GFADRO CS(=O)(=O)N1CCC[C@H]([NH2+]Cc2ccc(Br)c(Cl)c2)C1 ZINC000400152315 563534422 /nfs/dbraw/zinc/53/44/22/563534422.db2.gz RBQFFMSUHHMXDN-NSHDSACASA-N 1 0 381.723 2.616 20 0 GFADRO CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@@H](CO)Cc1cccc(Br)c1 ZINC000430153399 563536496 /nfs/dbraw/zinc/53/64/96/563536496.db2.gz VLBXTQHMEKJZGQ-HIFRSBDPSA-N 1 0 385.346 2.883 20 0 GFADRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1cc(Br)c2c(c1)OCCO2 ZINC000285778889 563536725 /nfs/dbraw/zinc/53/67/25/563536725.db2.gz LOBAYVXDQLLPNN-TZMCWYRMSA-N 1 0 395.297 2.919 20 0 GFADRO Brc1ccccc1-c1nnc(Cn2cc([C@@H]3CCC[NH2+]C3)nn2)o1 ZINC000404704199 563537351 /nfs/dbraw/zinc/53/73/51/563537351.db2.gz YOXNDZXQPVLPPC-LLVKDONJSA-N 1 0 389.257 2.606 20 0 GFADRO C[C@@H](C(=O)Nc1ccc(Br)cc1)N1C[C@H](N2CCOCC2)C[C@H]1C ZINC000285810158 563538231 /nfs/dbraw/zinc/53/82/31/563538231.db2.gz GHGQPXXYGDIVAS-JKIFEVAISA-N 1 0 396.329 2.571 20 0 GFADRO CC(C)C(=O)NCC[NH2+]Cc1cc(Cl)ccc1I ZINC000405807053 563539284 /nfs/dbraw/zinc/53/92/84/563539284.db2.gz SUPFQTIZBOOHCX-UHFFFAOYSA-N 1 0 380.657 2.806 20 0 GFADRO CCCCOCCN(C(=O)C[C@@H]1C[NH2+]CCO1)c1ccc(Br)cc1 ZINC000430386749 563543191 /nfs/dbraw/zinc/54/31/91/563543191.db2.gz SCXRJICZQVPSQG-QGZVFWFLSA-N 1 0 399.329 2.977 20 0 GFADRO COCC[C@@]1(C(=O)Nc2ccc3cccc(Br)c3n2)CC[NH2+]C1 ZINC000430424397 563543352 /nfs/dbraw/zinc/54/33/52/563543352.db2.gz MBZZWNRVQKUXHA-KRWDZBQOSA-N 1 0 378.270 2.952 20 0 GFADRO Cc1cc(Br)c(C(=O)N[C@H](C)CN2CC[NH+](C)CC2)cc1Cl ZINC000285967412 563543776 /nfs/dbraw/zinc/54/37/76/563543776.db2.gz AWNUFGUDZFZVER-GFCCVEGCSA-N 1 0 388.737 2.777 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CCCN(Cc2nc(Cc3cccc(Br)c3)no2)C1 ZINC000430550486 563545025 /nfs/dbraw/zinc/54/50/25/563545025.db2.gz GLMDDCCZDCZRSB-OCCSQVGLSA-N 1 0 379.302 2.982 20 0 GFADRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+][C@@H](C)c2cc(C(=O)OC)cs2)cc1 ZINC000286073730 563547756 /nfs/dbraw/zinc/54/77/56/563547756.db2.gz MAAPHCAWUJBTSH-RYUDHWBXSA-N 1 0 382.507 2.855 20 0 GFADRO C[C@H](C[C@@H]1CCCO1)[NH2+][C@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430709021 563548131 /nfs/dbraw/zinc/54/81/31/563548131.db2.gz LVHPEGSRWRUVQX-WZRBSPASSA-N 1 0 391.331 2.705 20 0 GFADRO CNC(=O)[C@]1(C)CC[N@H+](Cc2cnn(-c3ccc(Br)cc3)c2)C1 ZINC000430765702 563549057 /nfs/dbraw/zinc/54/90/57/563549057.db2.gz GHNZMUGCMGHMJH-QGZVFWFLSA-N 1 0 377.286 2.593 20 0 GFADRO C[C@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)c1ccc(Cl)s1 ZINC000286133751 563549883 /nfs/dbraw/zinc/54/98/83/563549883.db2.gz ZLXNFFQCFJUKQH-FUDCBSFHSA-N 1 0 383.945 2.705 20 0 GFADRO C[C@@H](c1ccccc1Cl)N1CC[NH+](C[C@H](O)COCC(F)(F)F)CC1 ZINC000431093656 563553648 /nfs/dbraw/zinc/55/36/48/563553648.db2.gz MMPYOULSQYUWJO-KBPBESRZSA-N 1 0 380.838 2.958 20 0 GFADRO COc1cc(C)c(Br)cc1C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000286244858 563553757 /nfs/dbraw/zinc/55/37/57/563553757.db2.gz UFOAVCUEQTVVKD-UHFFFAOYSA-N 1 0 397.313 2.703 20 0 GFADRO C[C@@H](c1ccc(Cl)cc1)N1CC[NH+](C[C@@H](O)COCC(F)(F)F)CC1 ZINC000431124887 563554417 /nfs/dbraw/zinc/55/44/17/563554417.db2.gz LVCQZTVYHVMLBJ-XJKSGUPXSA-N 1 0 380.838 2.958 20 0 GFADRO COc1cc(C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)cc(Br)c1OC ZINC000331591379 563554554 /nfs/dbraw/zinc/55/45/54/563554554.db2.gz XVSXPVXTEJRVIU-QMTHXVAHSA-N 1 0 383.286 2.679 20 0 GFADRO COC(=O)[C@@]1(C(F)(F)F)CCN(C[C@@H](O)c2cccc(Br)c2)C1 ZINC000286284270 563555068 /nfs/dbraw/zinc/55/50/68/563555068.db2.gz BUFZJKOYRMDDIO-TZMCWYRMSA-N 1 0 396.203 2.910 20 0 GFADRO C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)Cc1csc(NC(=O)c2cccs2)n1 ZINC000286315679 563556093 /nfs/dbraw/zinc/55/60/93/563556093.db2.gz YEWVQVKETIGBPC-HFAKWTLXSA-N 1 0 378.523 2.502 20 0 GFADRO CCOC(=O)CN(C[C@H](O)COc1ccc(Br)cc1)C(C)(C)C ZINC000431374558 563559738 /nfs/dbraw/zinc/55/97/38/563559738.db2.gz HCPOKQBIXZOPHA-AWEZNQCLSA-N 1 0 388.302 2.852 20 0 GFADRO CN(C(=O)NC[C@]1(C)CCC[NH2+]C1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000331728003 563559810 /nfs/dbraw/zinc/55/98/10/563559810.db2.gz ZEHJIUOGKQWDDI-LZLYRXPVSA-N 1 0 386.323 2.983 20 0 GFADRO COC(=O)c1sccc1S(=O)(=O)N1CCC[C@H]([NH+]2[C@H](C)CC[C@H]2C)C1 ZINC000331769044 563561147 /nfs/dbraw/zinc/56/11/47/563561147.db2.gz FAWHBQMNFPFNEK-MCIONIFRSA-N 1 0 386.539 2.561 20 0 GFADRO C[C@H](CC(=O)N1CCN(CC[NH+](C)C)CC1)c1ccc(Br)cc1 ZINC000431512675 563561831 /nfs/dbraw/zinc/56/18/31/563561831.db2.gz QEOWSLCLURCWHK-OAHLLOKOSA-N 1 0 382.346 2.649 20 0 GFADRO COCC[N@H+](C)CCCNC(=O)c1cn(-c2ccc(Cl)c(Cl)c2)cn1 ZINC000431555381 563562463 /nfs/dbraw/zinc/56/24/63/563562463.db2.gz HPRPHYFVEHMHBB-UHFFFAOYSA-N 1 0 385.295 2.877 20 0 GFADRO CC[S@](=O)[C@H]1CCC[C@H]([NH2+]Cc2ncc(I)s2)C1 ZINC000286515357 563563408 /nfs/dbraw/zinc/56/34/08/563563408.db2.gz NADCXGKUDDVNHJ-RAALSFIWSA-N 1 0 398.335 2.917 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)c(Br)c1 ZINC000431702499 563566614 /nfs/dbraw/zinc/56/66/14/563566614.db2.gz NEDJAUIJOHSVBJ-CHWSQXEVSA-N 1 0 382.302 2.603 20 0 GFADRO CC[NH+](CC)C[C@H]1CCCC[C@@H]1NS(=O)(=O)c1csc(C(=O)OC)c1 ZINC000431890433 563570550 /nfs/dbraw/zinc/57/05/50/563570550.db2.gz DUQDAACMYBPYCA-HIFRSBDPSA-N 1 0 388.555 2.714 20 0 GFADRO COC(=O)c1cc(S(=O)(=O)NCC2CC[NH+](CCC(C)C)CC2)cs1 ZINC000431897627 563570634 /nfs/dbraw/zinc/57/06/34/563570634.db2.gz DKMOQYDIQQNVGO-UHFFFAOYSA-N 1 0 388.555 2.571 20 0 GFADRO CC[NH+](CC)CC1CCN(C(=O)c2cnn3cc(Br)cnc23)CC1 ZINC000332017385 563571783 /nfs/dbraw/zinc/57/17/83/563571783.db2.gz QCFDBILAQHSCQI-UHFFFAOYSA-N 1 0 394.317 2.686 20 0 GFADRO C[C@H]1CN(C(=O)c2cc(=O)[nH]c3c(Br)cccc23)C[C@@H]1[NH+](C)C ZINC000332020864 563571841 /nfs/dbraw/zinc/57/18/41/563571841.db2.gz HIBWDHUZRDBHIO-HZMBPMFUSA-N 1 0 378.270 2.725 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@H]32)cc1Br ZINC000332049611 563573558 /nfs/dbraw/zinc/57/35/58/563573558.db2.gz MONWTQLUKWUVNJ-CZUORRHYSA-N 1 0 394.313 2.557 20 0 GFADRO O=C(NCCNc1cc[nH+]cc1)c1cc2c(cc(Br)cc2F)[nH]1 ZINC000409906351 563574173 /nfs/dbraw/zinc/57/41/73/563574173.db2.gz YDLVWBWCTFBDSY-UHFFFAOYSA-N 1 0 377.217 2.728 20 0 GFADRO C[C@H]1C[N@H+](CCCNS(=O)(=O)Cc2cc(Cl)cc(Cl)c2)CCCO1 ZINC000432291584 563579048 /nfs/dbraw/zinc/57/90/48/563579048.db2.gz LQIBYALTYZJKJR-ZDUSSCGKSA-N 1 0 395.352 2.914 20 0 GFADRO CN(C)c1cc(NC(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)ncc1Br ZINC000332152802 563579676 /nfs/dbraw/zinc/57/96/76/563579676.db2.gz IZXUJCZBUGELTI-DMDPSCGWSA-N 1 0 382.306 2.501 20 0 GFADRO CC1(C)[C@H]([NH2+][C@@H]2CCN(c3cccc(Br)c3)C2=O)[C@H]2CCO[C@H]21 ZINC000432339786 563581039 /nfs/dbraw/zinc/58/10/39/563581039.db2.gz UTOPMYFMCHDTCJ-KLHDSHLOSA-N 1 0 379.298 2.958 20 0 GFADRO CCc1nc(C(=O)N[C@H]2CC[NH2+]C[C@H]2C)nn1-c1c(Cl)cccc1Cl ZINC000432520838 563586463 /nfs/dbraw/zinc/58/64/63/563586463.db2.gz VLJNDOKYLSUGFP-MFKMUULPSA-N 1 0 382.295 2.864 20 0 GFADRO C[C@@H]([NH2+]C[C@H]1CCCSC1)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000287086979 563586897 /nfs/dbraw/zinc/58/68/97/563586897.db2.gz PBFTVEBUZTVRJW-HZPDHXFCSA-N 1 0 384.567 2.501 20 0 GFADRO C[C@H]([NH2+]CCCn1cc(Br)cn1)c1cccc(-n2ccnn2)c1 ZINC000287170443 563590610 /nfs/dbraw/zinc/59/06/10/563590610.db2.gz CBDGRXUVQIWMQY-ZDUSSCGKSA-N 1 0 375.274 2.967 20 0 GFADRO COc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCS(=O)(=O)C2)c(Br)c1 ZINC000287212086 563591911 /nfs/dbraw/zinc/59/19/11/563591911.db2.gz WZFYKUASAQAVKP-NEPJUHHUSA-N 1 0 376.316 2.933 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)Nc2cc(F)c(Br)cc2Cl)CCCO1 ZINC000332332595 563593522 /nfs/dbraw/zinc/59/35/22/563593522.db2.gz RAQCUXUARUMDBD-MRVPVSSYSA-N 1 0 380.645 2.823 20 0 GFADRO COC(=O)c1cccc(Br)c1CN1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000432798109 563593866 /nfs/dbraw/zinc/59/38/66/563593866.db2.gz NQZDSNLNNGYONP-ZDUSSCGKSA-N 1 0 399.329 2.513 20 0 GFADRO C[NH+](C)[C@H]1CCCN(S(=O)(=O)c2c(F)cccc2OC(F)(F)F)CC1 ZINC000287279767 563594966 /nfs/dbraw/zinc/59/49/66/563594966.db2.gz IQWBFERJTHAQIA-NSHDSACASA-N 1 0 384.395 2.829 20 0 GFADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNc1nc2cc(Cl)cc(Cl)c2o1 ZINC000433037737 563600913 /nfs/dbraw/zinc/60/09/13/563600913.db2.gz CIQLZTUASLFVMD-AWEZNQCLSA-N 1 0 385.295 3.489 20 0 GFADRO C[N@H+](CCOc1ccc(S(N)(=O)=O)cc1)[C@H]1CCc2c1cccc2Cl ZINC000433059171 563601975 /nfs/dbraw/zinc/60/19/75/563601975.db2.gz MPTJMRGEHZJJGX-SFHVURJKSA-N 1 0 380.897 2.986 20 0 GFADRO [NH3+]C1CCC(NC(=O)N2CCN(c3cccc(Br)c3)CC2)CC1 ZINC000332516831 563602510 /nfs/dbraw/zinc/60/25/10/563602510.db2.gz ALGOMOUORSLFCU-UHFFFAOYSA-N 1 0 381.318 2.551 20 0 GFADRO C[C@@H]1C[C@@H](C)N(C(=O)c2cc(Br)c3c(c2)OCCO3)C[C@H]1C[NH3+] ZINC000332523540 563603647 /nfs/dbraw/zinc/60/36/47/563603647.db2.gz NLTYIXQCIRPRNV-NQBHXWOUSA-N 1 0 383.286 2.666 20 0 GFADRO Cc1cc(Br)cc(C[NH2+]C[C@@]2(O)CCO[C@@H]2C)c1OC(F)F ZINC000433183000 563605828 /nfs/dbraw/zinc/60/58/28/563605828.db2.gz QJRPGNQUAWVDHK-BMIGLBTASA-N 1 0 380.229 2.988 20 0 GFADRO CN(CC[N@H+](C)C1CCCCC1)C(=O)Cc1cc[nH]c(=O)c1Br ZINC000332607251 563607291 /nfs/dbraw/zinc/60/72/91/563607291.db2.gz NRSPKAKSXSEQJE-UHFFFAOYSA-N 1 0 384.318 2.815 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)CC[N@@H+]1C ZINC000332627212 563608050 /nfs/dbraw/zinc/60/80/50/563608050.db2.gz GEULUTAKYHLDTH-DYEKYZERSA-N 1 0 384.307 2.945 20 0 GFADRO O=C(CC[N@@H+]1CC[C@@H](c2cccc(Cl)c2)C1)NC(=O)NCC(F)(F)F ZINC000433305940 563609478 /nfs/dbraw/zinc/60/94/78/563609478.db2.gz QQAFXFCTKWMVBK-GFCCVEGCSA-N 1 0 377.794 2.908 20 0 GFADRO C[C@H]1C[C@@H](C(=O)N[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)CC[N@@H+]1C ZINC000332671252 563611113 /nfs/dbraw/zinc/61/11/13/563611113.db2.gz PKUBYMQKCFGHGF-MKBNYLNASA-N 1 0 384.307 2.945 20 0 GFADRO Cc1cc(Br)c(NC(=O)C(=O)NCC[N@@H+](C)C2CC2)cc1Cl ZINC000411246733 563611427 /nfs/dbraw/zinc/61/14/27/563611427.db2.gz SAJOBOFWHQXWGU-UHFFFAOYSA-N 1 0 388.693 2.560 20 0 GFADRO C[NH+](C)C[C@H]1CCN(C(=O)C(=O)Nc2cc(Cl)ccc2C(F)(F)F)C1 ZINC000287672358 563613457 /nfs/dbraw/zinc/61/34/57/563613457.db2.gz PECDKWJRYASIAY-SNVBAGLBSA-N 1 0 377.794 2.707 20 0 GFADRO C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000332766108 563614048 /nfs/dbraw/zinc/61/40/48/563614048.db2.gz SMNXFQRFJOYRFK-GLQYFDAESA-N 1 0 384.307 2.855 20 0 GFADRO O=S(=O)(NC[C@H]1CC[N@@H+](C2CC2)C1)c1cc(Br)sc1Cl ZINC000433623033 563616566 /nfs/dbraw/zinc/61/65/66/563616566.db2.gz STZFLAXELVKMPW-MRVPVSSYSA-N 1 0 399.763 2.927 20 0 GFADRO CS[C@@H]1CN(C(=O)N[C@H](c2cc(F)ccc2F)C(F)F)C[C@@H]1[NH+](C)C ZINC000433651290 563616901 /nfs/dbraw/zinc/61/69/01/563616901.db2.gz WCYKSTRNUZWTBR-BFHYXJOUSA-N 1 0 379.423 2.958 20 0 GFADRO CN(CC[NH+]1CCCC1)S(=O)(=O)c1cc(Br)sc1Cl ZINC000433664175 563617971 /nfs/dbraw/zinc/61/79/71/563617971.db2.gz MYCSMHZDIUZICF-UHFFFAOYSA-N 1 0 387.752 2.880 20 0 GFADRO O=C(Nc1ccc2nccnc2c1Br)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000287812932 563618722 /nfs/dbraw/zinc/61/87/22/563618722.db2.gz UZVMVBLSEVLIBY-LBPRGKRZSA-N 1 0 388.269 2.870 20 0 GFADRO CN(Cc1nc2c(s1)CCCC2)S(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000433858837 563621362 /nfs/dbraw/zinc/62/13/62/563621362.db2.gz LTPFNWDIAVZPHH-UHFFFAOYSA-N 1 0 379.551 2.904 20 0 GFADRO O=C(Nc1cc(F)ccc1Br)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000333185650 563623468 /nfs/dbraw/zinc/62/34/68/563623468.db2.gz SWKCCCSPKUKXHO-UHFFFAOYSA-N 1 0 399.308 2.926 20 0 GFADRO CCO[C@@H]1COCC[C@@H]1[NH2+]CCC(=O)Nc1ccc(Br)cc1F ZINC000411557837 563623918 /nfs/dbraw/zinc/62/39/18/563623918.db2.gz KLUFQRYWTYJHLK-LSDHHAIUSA-N 1 0 389.265 2.700 20 0 GFADRO C[NH+](C)[C@]1(CNC(=O)Cc2cc(Br)ccc2F)CCSC1 ZINC000434020773 563624805 /nfs/dbraw/zinc/62/48/05/563624805.db2.gz HCTYPULPCKGLJJ-HNNXBMFYSA-N 1 0 375.307 2.684 20 0 GFADRO [NH3+][C@@H]1CCCO[C@H]1C1CCN(C(=O)Nc2ncc(C(F)(F)F)s2)CC1 ZINC000333270147 563626612 /nfs/dbraw/zinc/62/66/12/563626612.db2.gz FYQOHFJIIWNJTP-PWSUYJOCSA-N 1 0 378.420 2.912 20 0 GFADRO Cc1cc(Br)ccc1CN(C)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000434222145 563627841 /nfs/dbraw/zinc/62/78/41/563627841.db2.gz FUQDVJDEZXWIAG-UHFFFAOYSA-N 1 0 394.317 3.180 20 0 GFADRO Cc1cc(NC(=O)C(=O)NCC[C@H]2CCC[N@@H+](C)C2)cc(C)c1Br ZINC000411667265 563628355 /nfs/dbraw/zinc/62/83/55/563628355.db2.gz HTOXQWPSLQFDKE-CQSZACIVSA-N 1 0 396.329 2.853 20 0 GFADRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)Nc3nnc(-c4ccc(Cl)cc4F)s3)C[C@@H]12 ZINC000333332420 563628947 /nfs/dbraw/zinc/62/89/47/563628947.db2.gz ONBZBJNDIHURJZ-RLCGTCKNSA-N 1 0 381.864 3.199 20 0 GFADRO C[N@@H+]1CCC[C@H](CCNC(=O)C(=O)Nc2cc(Cl)c(Cl)cc2F)C1 ZINC000411677659 563629097 /nfs/dbraw/zinc/62/90/97/563629097.db2.gz TWSGWCNHNQGSIP-SNVBAGLBSA-N 1 0 376.259 2.919 20 0 GFADRO O=C(NCC1([NH+]2CCSCC2)CCCC1)c1ncsc1Br ZINC000288122426 563630065 /nfs/dbraw/zinc/63/00/65/563630065.db2.gz WOWBBUMEPPDJRH-UHFFFAOYSA-N 1 0 390.372 2.997 20 0 GFADRO CSc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@](O)(C(F)(F)F)CC2)cc1 ZINC000411716255 563631026 /nfs/dbraw/zinc/63/10/26/563631026.db2.gz FQPOZOVHCZEKAC-CZUORRHYSA-N 1 0 379.444 2.928 20 0 GFADRO COc1cc(OC)c(NC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1Br ZINC000333411139 563631669 /nfs/dbraw/zinc/63/16/69/563631669.db2.gz ZXVYHINMOUBIQT-GHMZBOCLSA-N 1 0 384.274 2.540 20 0 GFADRO COc1cc2[nH+]ccc(N3CC[C@]4(CNC(=O)C4)C3)c2cc1Br ZINC000333469303 563633475 /nfs/dbraw/zinc/63/34/75/563633475.db2.gz NGWCMRBAMQULNI-KRWDZBQOSA-N 1 0 376.254 2.722 20 0 GFADRO Cc1cc(CC(C)(C)[NH2+]Cc2nc(N)nc(N(C)C)n2)ccc1Br ZINC000411761226 563633737 /nfs/dbraw/zinc/63/37/37/563633737.db2.gz UPXVYNFSZPWWTG-UHFFFAOYSA-N 1 0 393.333 2.702 20 0 GFADRO O=C(N[C@@H]1CCC[NH2+]C1)N1CCC(Oc2cccc(Br)c2)CC1 ZINC000333480604 563634116 /nfs/dbraw/zinc/63/41/16/563634116.db2.gz CBBIEAVKKYNEFD-CQSZACIVSA-N 1 0 382.302 2.754 20 0 GFADRO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1 ZINC000333502128 563634569 /nfs/dbraw/zinc/63/45/69/563634569.db2.gz FNKOCUZCZBVDHR-CZUORRHYSA-N 1 0 393.336 2.900 20 0 GFADRO C[C@@H]1CN(CCCCNS(=O)(=O)c2ccc(C(F)F)cc2)C[C@H](C)O1 ZINC000288263700 563635747 /nfs/dbraw/zinc/63/57/47/563635747.db2.gz UDULGTSSIPHYHS-OKILXGFUSA-N 1 0 376.469 2.792 20 0 GFADRO [NH3+][C@@H]1CN(S(=O)(=O)C[C@H]2CCCCC2(F)F)C[C@H]1c1cccc(F)c1 ZINC000333651866 563637844 /nfs/dbraw/zinc/63/78/44/563637844.db2.gz JYJMJXADYDJGSN-VNQPRFMTSA-N 1 0 376.444 2.708 20 0 GFADRO COC[C@H]([NH2+]CC(=O)N[C@@H](C)c1ccc(Cl)cc1Cl)[C@@H]1CCCO1 ZINC000434796706 563638489 /nfs/dbraw/zinc/63/84/89/563638489.db2.gz RHOIEZRLCFUVOT-UVBJJODRSA-N 1 0 375.296 2.954 20 0 GFADRO COC[C@H]([NH2+]CC(=O)N[C@H](C)c1ccc(Cl)cc1Cl)[C@@H]1CCCO1 ZINC000434796705 563638533 /nfs/dbraw/zinc/63/85/33/563638533.db2.gz RHOIEZRLCFUVOT-RLCCDNCMSA-N 1 0 375.296 2.954 20 0 GFADRO [NH3+][C@H]1CCO[C@@H](C2CCN(S(=O)(=O)c3cccc(Cl)c3Cl)CC2)C1 ZINC000333656990 563638775 /nfs/dbraw/zinc/63/87/75/563638775.db2.gz KWGNPLALQVOHIX-GXTWGEPZSA-N 1 0 393.336 2.900 20 0 GFADRO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC000333725767 563640463 /nfs/dbraw/zinc/64/04/63/563640463.db2.gz VJNIPJYYJZYXQV-HUUCEWRRSA-N 1 0 393.336 2.900 20 0 GFADRO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(C(=O)c2cc(F)ccc2Br)CC1 ZINC000333771300 563641724 /nfs/dbraw/zinc/64/17/24/563641724.db2.gz CBBGBZSBRSDHIB-HZPDHXFCSA-N 1 0 385.277 2.947 20 0 GFADRO COc1ccc(C(=O)N2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)cc1Br ZINC000333826755 563642920 /nfs/dbraw/zinc/64/29/20/563642920.db2.gz LSSWXXAJBGMVBA-RDJZCZTQSA-N 1 0 397.313 2.816 20 0 GFADRO CCOC(=O)C(C)(C)c1csc(NC(=O)CSCC[NH+](CC)CC)n1 ZINC000288440172 563643596 /nfs/dbraw/zinc/64/35/96/563643596.db2.gz DZKKGBFYYJQIRM-UHFFFAOYSA-N 1 0 387.571 2.997 20 0 GFADRO O=C(N[C@H]1COc2cc(F)c(Br)cc21)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000333854777 563643974 /nfs/dbraw/zinc/64/39/74/563643974.db2.gz YAVAFEFIAUDHDW-BFVZDQMLSA-N 1 0 384.249 2.558 20 0 GFADRO Cn1c(C[NH2+]C(C)(C)CN2CCOCC2)nc2ccc(Br)cc21 ZINC000412000219 563644033 /nfs/dbraw/zinc/64/40/33/563644033.db2.gz VGBZFQOBAHGAAI-UHFFFAOYSA-N 1 0 381.318 2.536 20 0 GFADRO COC1([C@H](C)[NH2+]CC(=O)Nc2cccc(I)c2)CCC1 ZINC000412019823 563645080 /nfs/dbraw/zinc/64/50/80/563645080.db2.gz GJLMAMQHNDVMGB-NSHDSACASA-N 1 0 388.249 2.777 20 0 GFADRO O=C(c1ccc(I)c(Cl)c1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000435240221 563646515 /nfs/dbraw/zinc/64/65/15/563646515.db2.gz NGLYTHLQLUUANJ-NSHDSACASA-N 1 0 390.652 2.911 20 0 GFADRO O=C(N[C@@H](CO)c1ccc(Br)cc1)C1CCN(CC(F)F)CC1 ZINC000288539318 563646774 /nfs/dbraw/zinc/64/67/74/563646774.db2.gz MAYYHGKQWOCIMA-AWEZNQCLSA-N 1 0 391.256 2.576 20 0 GFADRO COc1ccc(Br)cc1C(=O)CCC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000435234364 563647052 /nfs/dbraw/zinc/64/70/52/563647052.db2.gz GAFXRTVZPBLVCF-CQSZACIVSA-N 1 0 395.297 2.774 20 0 GFADRO CC(C)[N@H+](C[C@H](O)COc1c(Cl)cccc1Cl)C[C@@H]1CCC(=O)N1 ZINC000412080915 563647606 /nfs/dbraw/zinc/64/76/06/563647606.db2.gz ODLQDZQIUREJGJ-STQMWFEESA-N 1 0 375.296 2.722 20 0 GFADRO C[C@@H]1c2c(Cl)cc(Cl)cc2CCN1C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000435417044 563649759 /nfs/dbraw/zinc/64/97/59/563649759.db2.gz QWEVJIFIVLQHGR-IUODEOHRSA-N 1 0 385.339 2.868 20 0 GFADRO CO[C@@H](c1ccc(Br)cc1)[C@H](C)NC(=O)NC1CC[NH+](C)CC1 ZINC000334003847 563650042 /nfs/dbraw/zinc/65/00/42/563650042.db2.gz KAJNVXCNAFRXRC-BLLLJJGKSA-N 1 0 384.318 2.919 20 0 GFADRO CS[C@@H]1CN(C(=O)c2nc(C)sc2Br)C[C@H]1[NH+]1CCCC1 ZINC000412251612 563651745 /nfs/dbraw/zinc/65/17/45/563651745.db2.gz LLTMRYULLXGJEV-GHMZBOCLSA-N 1 0 390.372 2.866 20 0 GFADRO Cc1cc(Br)cc(S(=O)(=O)N[C@@H]2CCC[N@@H+](C(C)C)C2)c1 ZINC000435448479 563652296 /nfs/dbraw/zinc/65/22/96/563652296.db2.gz WSJMWEHOYQMRPE-CQSZACIVSA-N 1 0 375.332 2.909 20 0 GFADRO Cc1nn(C)c(CNCc2ccncc2OCCC[NH+](C)C)c1Br ZINC000288718035 563654655 /nfs/dbraw/zinc/65/46/55/563654655.db2.gz ZTVWTVUYQZUPPC-UHFFFAOYSA-N 1 0 396.333 2.506 20 0 GFADRO Cc1ccc(-c2ncc(C[N@@H+]3CCC[C@H](CNS(C)(=O)=O)C3)s2)cc1 ZINC000435770117 563658207 /nfs/dbraw/zinc/65/82/07/563658207.db2.gz YRFZHLAFGGUFHB-OAHLLOKOSA-N 1 0 379.551 2.880 20 0 GFADRO CSC1(CN2C(=O)N[C@H](Cc3cccc(Cl)c3)C2=O)CC[NH+](C)CC1 ZINC000348985144 563658674 /nfs/dbraw/zinc/65/86/74/563658674.db2.gz LMMHUWHOGPTZGI-OAHLLOKOSA-N 1 0 381.929 2.630 20 0 GFADRO C[C@@H]1CCC[N@H+](CCNC(=O)[C@@H]2CC(=O)Nc3ccc(Br)cc32)C1 ZINC000435852657 563659713 /nfs/dbraw/zinc/65/97/13/563659713.db2.gz YKVIYCPPEWXCCK-IUODEOHRSA-N 1 0 394.313 2.723 20 0 GFADRO O=C1N[C@@H](CC(F)(F)F)C(=O)N1CC1CC[NH+](Cc2cccs2)CC1 ZINC000349401412 563662954 /nfs/dbraw/zinc/66/29/54/563662954.db2.gz WTFPESGEFIDBEB-ZDUSSCGKSA-N 1 0 375.416 2.833 20 0 GFADRO CC[C@@H]([NH2+]CC1([S@@](C)=O)CCC1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000436300609 563669220 /nfs/dbraw/zinc/66/92/20/563669220.db2.gz KCRXOCIRFOCVBY-QKFKETGDSA-N 1 0 392.974 2.590 20 0 GFADRO CN(CC[NH2+][C@@H]1Cc2ccc(Cl)cc2C1)S(=O)(=O)c1ccc(F)cc1 ZINC000436315808 563669251 /nfs/dbraw/zinc/66/92/51/563669251.db2.gz QFZRPDMDXGMYFK-QGZVFWFLSA-N 1 0 382.888 2.857 20 0 GFADRO COCCCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cc(C)c(Cl)s1 ZINC000289490498 563675834 /nfs/dbraw/zinc/67/58/34/563675834.db2.gz JAXKJSPKTFTMEF-UHFFFAOYSA-N 1 0 380.963 2.831 20 0 GFADRO COCCCN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc(Cl)cc1F ZINC000289549131 563677852 /nfs/dbraw/zinc/67/78/52/563677852.db2.gz MYSQBJLBRJYQII-UHFFFAOYSA-N 1 0 378.897 2.601 20 0 GFADRO C[C@@H](O)c1ncc(C[NH2+]C[C@H](CO)Cc2ccccc2Br)s1 ZINC000289568352 563679590 /nfs/dbraw/zinc/67/95/90/563679590.db2.gz HEVWBQVWGVKZLE-VXGBXAGGSA-N 1 0 385.327 2.900 20 0 GFADRO CN1CCN(C)[C@H](C[NH2+]Cc2cc(Br)cc(Br)c2)C1 ZINC000289634837 563681449 /nfs/dbraw/zinc/68/14/49/563681449.db2.gz GPDLJLZOVGTUFU-CQSZACIVSA-N 1 0 391.151 2.547 20 0 GFADRO C[NH+](C)C1CCN(CCNc2nccc3cc(Br)ccc32)CC1 ZINC000413174505 563684481 /nfs/dbraw/zinc/68/44/81/563684481.db2.gz QDDIAMYZWPNWTG-UHFFFAOYSA-N 1 0 377.330 3.435 20 0 GFADRO COCCCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cc(Cl)ccc1F ZINC000289744766 563684807 /nfs/dbraw/zinc/68/48/07/563684807.db2.gz YHXRSBBALCNBMN-UHFFFAOYSA-N 1 0 378.897 2.601 20 0 GFADRO Cc1cnc([C@H]2CCC[N@H+](CCC(=O)Nc3sccc3C(N)=O)C2)s1 ZINC000360092827 563691498 /nfs/dbraw/zinc/69/14/98/563691498.db2.gz LVYHWJNDHPYMCP-LBPRGKRZSA-N 1 0 378.523 2.820 20 0 GFADRO C[NH+](C)CCN(Cc1cccs1)S(=O)(=O)N1CC[C@@H]2CCCC[C@@H]2C1 ZINC000437291032 563692504 /nfs/dbraw/zinc/69/25/04/563692504.db2.gz VRHIXSGNYUMKJA-DLBZAZTESA-N 1 0 385.599 2.869 20 0 GFADRO Clc1cnn([C@H]2CCN(CCC[N@@H+]3CC[C@H](n4cc(Cl)cn4)C3)C2)c1 ZINC000290069352 563696712 /nfs/dbraw/zinc/69/67/12/563696712.db2.gz YEYFAPRVEJKBNE-IRXDYDNUSA-N 1 0 383.327 2.970 20 0 GFADRO O=S1(=O)CCC[C@@H](C[NH2+]Cc2nc(-c3cccc(Br)c3)c[nH]2)C1 ZINC000290217535 563701177 /nfs/dbraw/zinc/70/11/77/563701177.db2.gz WSKAKAQJAPGNLQ-LBPRGKRZSA-N 1 0 398.326 2.754 20 0 GFADRO O=C(c1cc(-c2ccc(Br)cc2)n[nH]1)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000290216269 563701340 /nfs/dbraw/zinc/70/13/40/563701340.db2.gz SPTUCZJANIMMNB-OLZOCXBDSA-N 1 0 375.270 2.521 20 0 GFADRO COc1cc(C[NH2+][C@H](CO)c2ccc(Br)cc2)cc(OC)c1O ZINC000290227433 563701882 /nfs/dbraw/zinc/70/18/82/563701882.db2.gz FNKNGDKOQSUJLM-CQSZACIVSA-N 1 0 382.254 2.995 20 0 GFADRO Cn1cc(C[N@H+](C)CCn2cc(Br)cn2)c(-c2cccnc2)n1 ZINC000290272415 563703142 /nfs/dbraw/zinc/70/31/42/563703142.db2.gz YBPKYEBIJFMPNA-UHFFFAOYSA-N 1 0 375.274 2.573 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000362161525 563704665 /nfs/dbraw/zinc/70/46/65/563704665.db2.gz MXRRIEKNNBSNCW-LYRGGWFBSA-N 1 0 393.336 2.866 20 0 GFADRO Cc1ccc(Br)c(CNC(=O)N(C)CCCN2CC[NH+](C)CC2)c1 ZINC000413748023 563704847 /nfs/dbraw/zinc/70/48/47/563704847.db2.gz WHLXHPFMNJVRPK-UHFFFAOYSA-N 1 0 397.361 2.536 20 0 GFADRO O=C(N[C@H](CO)C[NH+]1CCCCC1)c1cc2c(ccc(F)c2Br)[nH]1 ZINC000413795254 563705735 /nfs/dbraw/zinc/70/57/35/563705735.db2.gz DZGNHJQINABRTH-NSHDSACASA-N 1 0 398.276 2.646 20 0 GFADRO COC(=O)[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)CC[N@H+](C)C1 ZINC000413891642 563708765 /nfs/dbraw/zinc/70/87/65/563708765.db2.gz GYFVQQNZNIZFJH-MELADBBJSA-N 1 0 385.291 2.660 20 0 GFADRO Cc1cc(C[NH+](C)C)cc(NC(=O)c2cc3c(s2)CCS(=O)(=O)C3)c1 ZINC000362686280 563708744 /nfs/dbraw/zinc/70/87/44/563708744.db2.gz CZSFXERPUYGLEY-UHFFFAOYSA-N 1 0 378.519 2.841 20 0 GFADRO C[C@@H](C[NH+]1CCOCC1)C(=O)N(C)[C@@H]1CCOc2ccc(Br)cc21 ZINC000438637020 563708940 /nfs/dbraw/zinc/70/89/40/563708940.db2.gz MRXIJJLZFUCEPF-XJKSGUPXSA-N 1 0 397.313 2.699 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)Nc1c(F)cccc1Br ZINC000438799707 563711075 /nfs/dbraw/zinc/71/10/75/563711075.db2.gz YTAMXCMCLNNMLX-LLVKDONJSA-N 1 0 386.265 2.517 20 0 GFADRO CCC[N@@H+]1CC[C@@H](CNC(=O)N2CCC(n3cc(Br)cn3)CC2)C1 ZINC000362989953 563711921 /nfs/dbraw/zinc/71/19/21/563711921.db2.gz QRAOCJKUEQDAHP-AWEZNQCLSA-N 1 0 398.349 2.724 20 0 GFADRO C[C@](C[NH3+])(NC(=O)Nc1ccc(F)cc1I)C1CC1 ZINC000415257606 563764305 /nfs/dbraw/zinc/76/43/05/563764305.db2.gz ZRJHEATZOUVXPC-CYBMUJFWSA-N 1 0 377.201 2.679 20 0 GFADRO Cc1cc(C(C)(C)C(=O)NCC2(O)CC[NH+](C)CC2)ccc1Br ZINC000290649613 563717249 /nfs/dbraw/zinc/71/72/49/563717249.db2.gz ADKUEPVMCMTVBM-UHFFFAOYSA-N 1 0 383.330 2.608 20 0 GFADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]CCN1CCc2sccc2C1 ZINC000414081990 563718079 /nfs/dbraw/zinc/71/80/79/563718079.db2.gz VTLYFWTUXUOURD-CYBMUJFWSA-N 1 0 396.354 2.709 20 0 GFADRO CCC[NH+]1CCC(NS(=O)(=O)c2ccc(F)c(Br)c2)CC1 ZINC000439247857 563720572 /nfs/dbraw/zinc/72/05/72/563720572.db2.gz PABLQTDBQXONQQ-UHFFFAOYSA-N 1 0 379.295 2.741 20 0 GFADRO C[C@H](CNS(=O)(=O)c1ccc(F)c(Br)c1)[NH+]1CCC(C)CC1 ZINC000439250488 563720584 /nfs/dbraw/zinc/72/05/84/563720584.db2.gz MGRBLZBYEJFTQR-GFCCVEGCSA-N 1 0 393.322 2.987 20 0 GFADRO COc1ccc(Br)cc1C[C@@H](CO)C[NH2+][C@H](C)c1ccn(C)n1 ZINC000414145419 563720900 /nfs/dbraw/zinc/72/09/00/563720900.db2.gz KIEFXYLNXJBHJE-CHWSQXEVSA-N 1 0 382.302 2.693 20 0 GFADRO COC(=O)CN(C)C(=O)CC[NH+]1CCC(c2ccccc2Br)CC1 ZINC000439264561 563721263 /nfs/dbraw/zinc/72/12/63/563721263.db2.gz YQXXQYGALQMKOH-UHFFFAOYSA-N 1 0 397.313 2.650 20 0 GFADRO OCC[N@H+](C[C@@H](O)COc1ccc(Cl)cc1Br)C1CCC1 ZINC000439267810 563721279 /nfs/dbraw/zinc/72/12/79/563721279.db2.gz AWSOXZOJQQGIBL-CYBMUJFWSA-N 1 0 378.694 2.689 20 0 GFADRO CN1CC[NH+](C[C@@H]2CCCN(C(=O)c3csc(Br)c3)C2)CC1 ZINC000363381266 563721580 /nfs/dbraw/zinc/72/15/80/563721580.db2.gz BKLDNJMSMRRKCV-ZDUSSCGKSA-N 1 0 386.359 2.610 20 0 GFADRO O=S(=O)(NCCC[NH+]1CCCCC1)c1ccc(F)c(Br)c1 ZINC000439252271 563721668 /nfs/dbraw/zinc/72/16/68/563721668.db2.gz XYTVWISCLMZZGV-UHFFFAOYSA-N 1 0 379.295 2.743 20 0 GFADRO COCCCN(C(=O)COc1ccccc1Br)C1CC[NH+](C)CC1 ZINC000290810910 563721786 /nfs/dbraw/zinc/72/17/86/563721786.db2.gz AYSFMGSNGNJTRF-UHFFFAOYSA-N 1 0 399.329 2.787 20 0 GFADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@](C)(CO)c1ccccc1 ZINC000414165350 563722047 /nfs/dbraw/zinc/72/20/47/563722047.db2.gz POFQPQSOPOWNIZ-RDTXWAMCSA-N 1 0 379.298 2.539 20 0 GFADRO C[C@@H]([NH2+]CC1(N2CCOCC2)CCOCC1)c1cccc(Br)c1 ZINC000414200569 563722466 /nfs/dbraw/zinc/72/24/66/563722466.db2.gz ZYROIPGSPXRZBJ-OAHLLOKOSA-N 1 0 383.330 2.981 20 0 GFADRO C[C@@H]([NH2+]C[C@H](CO)Cc1cc(F)cc(Br)c1)C(C)(C)n1cncn1 ZINC000414204114 563722482 /nfs/dbraw/zinc/72/24/82/563722482.db2.gz ZYTQRNUEGLHSAX-TZMCWYRMSA-N 1 0 399.308 2.744 20 0 GFADRO C[C@H]([NH2+]C[C@H](O)CS(=O)(=O)c1cccs1)c1nccc2ccccc21 ZINC000290822006 563722588 /nfs/dbraw/zinc/72/25/88/563722588.db2.gz WZUBLHGQDMJWOF-ZFWWWQNUSA-N 1 0 376.503 2.782 20 0 GFADRO C[C@@H]1CC[N@H+](C)CCN1C(=O)C(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000439351212 563722865 /nfs/dbraw/zinc/72/28/65/563722865.db2.gz NVFQAYHNNUYTKY-SNVBAGLBSA-N 1 0 377.794 2.850 20 0 GFADRO O[C@H](COc1cc(F)cc(Br)c1)C[NH+]1CCC(c2ncc[nH]2)CC1 ZINC000439420495 563723808 /nfs/dbraw/zinc/72/38/08/563723808.db2.gz JHQOCWHTOXCZKT-HNNXBMFYSA-N 1 0 398.276 2.931 20 0 GFADRO C[C@@H]1C[N@H+](C[C@H](O)COc2cc(F)cc(Br)c2)[C@H](C)[C@H](C)O1 ZINC000439440710 563724352 /nfs/dbraw/zinc/72/43/52/563724352.db2.gz OQJPJBLJKJDFOQ-FJJYHAOUSA-N 1 0 376.266 2.826 20 0 GFADRO O=C(c1ccc(Cl)s1)N1CCC[C@H]1C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000363495596 563724443 /nfs/dbraw/zinc/72/44/43/563724443.db2.gz HZPTYBZGBGAPQV-AWEZNQCLSA-N 1 0 381.929 2.703 20 0 GFADRO O[C@@H](COc1cc(F)cc(Br)c1)C[N@H+](C[C@@H]1CCOC1)C1CC1 ZINC000439434724 563724402 /nfs/dbraw/zinc/72/44/02/563724402.db2.gz CGMJMBZONCQBDR-BLLLJJGKSA-N 1 0 388.277 2.829 20 0 GFADRO CS(=O)(=O)c1ccc(C[NH2+]CCCNc2ccc(C(F)(F)F)cn2)s1 ZINC000414275713 563724700 /nfs/dbraw/zinc/72/47/00/563724700.db2.gz SDGVQVONOHEEHZ-UHFFFAOYSA-N 1 0 393.456 3.157 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+]CCOC2CCCCC2)cc1Br ZINC000414305607 563725571 /nfs/dbraw/zinc/72/55/71/563725571.db2.gz QCPRJROTDGSDFT-UHFFFAOYSA-N 1 0 391.331 2.535 20 0 GFADRO C[C@@H]1CC[C@](CO)([N@H+](C)C[C@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000439444581 563725631 /nfs/dbraw/zinc/72/56/31/563725631.db2.gz OPNWKLSTGVEDRH-PVUWLOKVSA-N 1 0 390.293 2.811 20 0 GFADRO C[C@@H]1C[N@H+](C[C@@H](O)COc2cc(F)cc(Br)c2)CC(C)(C)O1 ZINC000439456039 563726466 /nfs/dbraw/zinc/72/64/66/563726466.db2.gz WZMLEOCMWWLALK-BXUZGUMPSA-N 1 0 376.266 2.827 20 0 GFADRO CCOC(=O)C1(NC(=O)c2ccc(Br)c(C)c2)CC[NH+](C)CC1 ZINC000363685536 563730298 /nfs/dbraw/zinc/73/02/98/563730298.db2.gz BDFDLUAABYPQDQ-UHFFFAOYSA-N 1 0 383.286 2.515 20 0 GFADRO O=C(N[C@@H]1CCCC[C@@H]1N1CCOCC1)c1cc(F)c(Cl)nc1Cl ZINC000363761695 563732382 /nfs/dbraw/zinc/73/23/82/563732382.db2.gz FMMWEFCGAOGTAB-OLZOCXBDSA-N 1 0 376.259 2.901 20 0 GFADRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)Nc1cc(Cl)c(Cl)cc1F ZINC000439841852 563732645 /nfs/dbraw/zinc/73/26/45/563732645.db2.gz FNTJSSIOXDQIEU-JTQLQIEISA-N 1 0 376.259 2.871 20 0 GFADRO Cc1ccc([C@@H](O)C[NH2+]C2CCN(S(=O)(=O)c3cccs3)CC2)cc1 ZINC000363810210 563734013 /nfs/dbraw/zinc/73/40/13/563734013.db2.gz BRDHCBNUWRNGCM-KRWDZBQOSA-N 1 0 380.535 2.533 20 0 GFADRO CCC(CC)[C@@H](CNC(=O)C(=O)Nc1cc(C)cnc1Br)[NH+](C)C ZINC000291199021 563734188 /nfs/dbraw/zinc/73/41/88/563734188.db2.gz AIDYDWMEIBAXER-CQSZACIVSA-N 1 0 399.333 2.574 20 0 GFADRO CC[NH+](CC)C[C@H](C)NS(=O)(=O)c1cc(N(C)C)ccc1Br ZINC000440070492 563735209 /nfs/dbraw/zinc/73/52/09/563735209.db2.gz KLCICSYCDCUBBS-LBPRGKRZSA-N 1 0 392.363 2.524 20 0 GFADRO O[C@H](COC1CCOCC1)C[N@@H+]1CCCc2c(Br)cccc2C1 ZINC000364045815 563740507 /nfs/dbraw/zinc/74/05/07/563740507.db2.gz NZZJNFNAYCTVQR-HNNXBMFYSA-N 1 0 384.314 2.754 20 0 GFADRO C[NH+](C)[C@H]1CCC[C@@H]1NS(=O)(=O)c1ccc(Cl)cc1Br ZINC000414461626 563740817 /nfs/dbraw/zinc/74/08/17/563740817.db2.gz FXJURKXWQLZVAL-RYUDHWBXSA-N 1 0 381.723 2.864 20 0 GFADRO O=C(CN1CCC[C@H]1C[N@H+]1CCC[C@H]1CO)Nc1ccc(Cl)cc1Cl ZINC000364052057 563741351 /nfs/dbraw/zinc/74/13/51/563741351.db2.gz CYSYUFZUEYRROS-GJZGRUSLSA-N 1 0 386.323 2.853 20 0 GFADRO CSc1ccc(Cl)c(C(=O)N2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)c1 ZINC000364046991 563741462 /nfs/dbraw/zinc/74/14/62/563741462.db2.gz DTKOLNXYGPBFCB-INIZCTEOSA-N 1 0 381.929 2.616 20 0 GFADRO C[C@H]1CCCN(S(=O)(=O)c2cc(Br)sc2Cl)[C@@H]1C[NH3+] ZINC000440439724 563742168 /nfs/dbraw/zinc/74/21/68/563742168.db2.gz GQAPKURYZFJTQC-JGVFFNPUSA-N 1 0 387.752 2.912 20 0 GFADRO O=C([C@@H]1C[C@@H]1c1ccc(Br)cc1)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000364110660 563743036 /nfs/dbraw/zinc/74/30/36/563743036.db2.gz JNQLTBHCTMXPKJ-TVFCKZIOSA-N 1 0 393.325 2.610 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+][C@@H]1CS[C@H](C)C1 ZINC000414495017 563744471 /nfs/dbraw/zinc/74/44/71/563744471.db2.gz GLUVGXNJWHJKGV-SUNKGSAMSA-N 1 0 387.343 2.946 20 0 GFADRO COC[C@@H]1C[C@H](O)C[N@@H+]1Cc1cn(-c2ccc(Br)cc2)nc1C ZINC000414489718 563744666 /nfs/dbraw/zinc/74/46/66/563744666.db2.gz NJDHVEUSXWOPME-IRXDYDNUSA-N 1 0 380.286 2.525 20 0 GFADRO OC[C@H]([NH2+]C1CCN(Cc2ccccc2Br)CC1)[C@@H]1CCCOC1 ZINC000414542138 563745750 /nfs/dbraw/zinc/74/57/50/563745750.db2.gz DDCBTXQSLBUSHP-APWZRJJASA-N 1 0 397.357 2.791 20 0 GFADRO O=C(CSc1n[n-]c(=S)s1)NC[C@H]1CCC[N@@H+]1CCc1ccccc1 ZINC000364224857 563746943 /nfs/dbraw/zinc/74/69/43/563746943.db2.gz VKLKZCDIDYOZIX-CQSZACIVSA-N 1 0 394.591 2.742 20 0 GFADRO CC[NH+](CC)[C@H](CNC(=O)N1CCC(F)(F)[C@H](CO)C1)c1ccsc1 ZINC000291591625 563748690 /nfs/dbraw/zinc/74/86/90/563748690.db2.gz ZOVHOXHTTNWAGH-LSDHHAIUSA-N 1 0 375.485 2.790 20 0 GFADRO O=C(Nc1ccccc1I)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000414654504 563749114 /nfs/dbraw/zinc/74/91/14/563749114.db2.gz CBLIKLYZDQDTFW-SMDDNHRTSA-N 1 0 385.249 2.801 20 0 GFADRO C[C@H]1CCCN(S(=O)(=O)c2cccc(Cl)c2Br)[C@H]1C[NH3+] ZINC000440754445 563749752 /nfs/dbraw/zinc/74/97/52/563749752.db2.gz NVNVCQTWTMFULG-ONGXEEELSA-N 1 0 381.723 2.850 20 0 GFADRO Cc1cc(I)ccc1NC(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000414681035 563750400 /nfs/dbraw/zinc/75/04/00/563750400.db2.gz NZGOCSZVTHPNJS-NWDGAFQWSA-N 1 0 385.249 2.673 20 0 GFADRO Cc1cc(F)c(Br)cc1S(=O)(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000440801422 563750444 /nfs/dbraw/zinc/75/04/44/563750444.db2.gz PAMSWLGOBRKDMR-NSHDSACASA-N 1 0 379.295 2.646 20 0 GFADRO O=C(CN1CCC[C@@H]1C[N@H+]1CCC[C@@H]1CO)Nc1c(Cl)cccc1Cl ZINC000364355507 563750630 /nfs/dbraw/zinc/75/06/30/563750630.db2.gz FPFFKPLVMNHPDY-ZIAGYGMSSA-N 1 0 386.323 2.853 20 0 GFADRO Cc1cc(NC(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])ccc1Br ZINC000414717893 563750792 /nfs/dbraw/zinc/75/07/92/563750792.db2.gz ZTPIICPGBDUQKN-AWEZNQCLSA-N 1 0 397.317 2.609 20 0 GFADRO O=C(Nc1ccc(Br)cc1Cl)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000414720609 563751090 /nfs/dbraw/zinc/75/10/90/563751090.db2.gz YZIPPHSSYUWGRU-GFCCVEGCSA-N 1 0 387.709 2.614 20 0 GFADRO C[C@H]1CN(S(=O)(=O)c2ccc(Br)c(Cl)c2Cl)C[C@@H]1[NH3+] ZINC000440846353 563751765 /nfs/dbraw/zinc/75/17/65/563751765.db2.gz LYJHAZYHGCRJPT-XPUUQOCRSA-N 1 0 388.114 2.724 20 0 GFADRO C[NH2+]CCC1CCN(S(=O)(=O)c2cc(Br)ccc2F)CC1 ZINC000440842965 563751908 /nfs/dbraw/zinc/75/19/08/563751908.db2.gz GUVMFMVMTHGJBH-UHFFFAOYSA-N 1 0 379.295 2.598 20 0 GFADRO O=C(Nc1ccc(I)cc1Cl)N[C@H]1CCC[NH2+]C1 ZINC000414792648 563752526 /nfs/dbraw/zinc/75/25/26/563752526.db2.gz JFFDHXOCWTVMDS-VIFPVBQESA-N 1 0 379.629 2.818 20 0 GFADRO [NH3+]C[C@H]1CCN(C(=O)Nc2ccc(I)cc2Cl)C1 ZINC000414785910 563752581 /nfs/dbraw/zinc/75/25/81/563752581.db2.gz ADMYPXLCKKKTHE-MRVPVSSYSA-N 1 0 379.629 2.757 20 0 GFADRO CSC[C@H](O)C[NH2+][C@@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1 ZINC000364436479 563752965 /nfs/dbraw/zinc/75/29/65/563752965.db2.gz YLBFBVHSKUORRZ-CABCVRRESA-N 1 0 376.444 2.682 20 0 GFADRO CCC([NH3+])(CC)CNCc1cc(I)c(OC)c(OC)c1 ZINC000414809716 563753716 /nfs/dbraw/zinc/75/37/16/563753716.db2.gz MSQPAUWWSQJFBV-UHFFFAOYSA-N 1 0 392.281 2.916 20 0 GFADRO CCOC(=O)COc1c(Br)cc(C)cc1CN[C@H]1CCC[NH2+]C1 ZINC000414862723 563753924 /nfs/dbraw/zinc/75/39/24/563753924.db2.gz HNTGKYSSZJPMIX-AWEZNQCLSA-N 1 0 385.302 2.541 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c(Br)c1 ZINC000440943018 563754047 /nfs/dbraw/zinc/75/40/47/563754047.db2.gz HEAVCSSTZFJWGZ-UONOGXRCSA-N 1 0 396.329 2.946 20 0 GFADRO CCOC(=O)COc1c(Br)cc(C)cc1CN[C@@H]1CC[NH2+]C[C@@H]1C ZINC000414930897 563754334 /nfs/dbraw/zinc/75/43/34/563754334.db2.gz BLCLRBZLTPPLGS-XJKSGUPXSA-N 1 0 399.329 2.787 20 0 GFADRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2nc(C3CC3)ncc2Br)C1 ZINC000291757072 563757443 /nfs/dbraw/zinc/75/74/43/563757443.db2.gz MFXMZXBIHHBZSS-GXTWGEPZSA-N 1 0 379.302 2.673 20 0 GFADRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1nc(C2CC2)ncc1Br ZINC000291773605 563757689 /nfs/dbraw/zinc/75/76/89/563757689.db2.gz NXZYEOFEIMBLED-NEPJUHHUSA-N 1 0 381.318 2.967 20 0 GFADRO CO[C@@H]1CC[N@H+](C[C@@H](O)COc2cc(F)cc(Br)c2)[C@@H](C)C1 ZINC000441344658 563757944 /nfs/dbraw/zinc/75/79/44/563757944.db2.gz DMHLCXNNRYZCHP-NILFDRSVSA-N 1 0 376.266 2.827 20 0 GFADRO CC(C)[C@@H]1C[C@H]([NH2+]CCNS(=O)(=O)c2ccc(Cl)cc2F)CCO1 ZINC000441338535 563758014 /nfs/dbraw/zinc/75/80/14/563758014.db2.gz FVXNYALZQKAJSL-HIFRSBDPSA-N 1 0 378.897 2.551 20 0 GFADRO Cc1c(Br)cccc1NC(=O)N1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000415098568 563758732 /nfs/dbraw/zinc/75/87/32/563758732.db2.gz VZXGZAYEQJQLQP-ZDUSSCGKSA-N 1 0 382.302 2.977 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)CC[C@H]1CCC[NH2+]1 ZINC000291793514 563758993 /nfs/dbraw/zinc/75/89/93/563758993.db2.gz PDWPENYPIOGEHJ-CQSZACIVSA-N 1 0 382.302 2.687 20 0 GFADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)Nc1c(F)cc(F)cc1Br ZINC000364609171 563759584 /nfs/dbraw/zinc/75/95/84/563759584.db2.gz PYLKQSYRYISKCZ-QWRGUYRKSA-N 1 0 390.228 2.712 20 0 GFADRO C[C@@H](C[NH3+])NC(=O)Nc1cc(I)ccc1Br ZINC000415113301 563759734 /nfs/dbraw/zinc/75/97/34/563759734.db2.gz BTDBARGYNDLBMY-LURJTMIESA-N 1 0 398.042 2.522 20 0 GFADRO O=C1N[C@H]2CN(Cc3ccc(Cl)c(Cl)c3)CC[C@@H]2N1C1CC[NH2+]CC1 ZINC000415146152 563761000 /nfs/dbraw/zinc/76/10/00/563761000.db2.gz YJICJYWXUODLLN-IRXDYDNUSA-N 1 0 383.323 2.714 20 0 GFADRO CC(C)(C)S(=O)(=O)Cc1cccc(NC(=O)N[C@H](CC[NH3+])C(F)F)c1 ZINC000415173319 563761961 /nfs/dbraw/zinc/76/19/61/563761961.db2.gz RIPDQRIAKPSSLZ-CYBMUJFWSA-N 1 0 377.457 2.504 20 0 GFADRO O=C(Nc1ccc(C(F)(F)F)cc1Cl)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000415185552 563761983 /nfs/dbraw/zinc/76/19/83/563761983.db2.gz QCZBFSBIHMWITN-GFCCVEGCSA-N 1 0 376.810 2.870 20 0 GFADRO C[C@H](C[NH3+])CNC(=O)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000441602096 563762292 /nfs/dbraw/zinc/76/22/92/563762292.db2.gz VFGCATJJBCAIDC-SNVBAGLBSA-N 1 0 378.826 2.681 20 0 GFADRO O=C(Nc1ccc(C(F)(F)F)cc1Cl)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000415185553 563762285 /nfs/dbraw/zinc/76/22/85/563762285.db2.gz QCZBFSBIHMWITN-LBPRGKRZSA-N 1 0 376.810 2.870 20 0 GFADRO [NH3+]C1(CNC(=O)Nc2ccc(CCn3cc(Br)cn3)cc2)CCC1 ZINC000415207716 563762396 /nfs/dbraw/zinc/76/23/96/563762396.db2.gz GCMRKFJMLPEHFG-UHFFFAOYSA-N 1 0 392.301 2.891 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)Nc2ccc(F)c(Br)c2)CC12CCOCC2 ZINC000415222058 563762831 /nfs/dbraw/zinc/76/28/31/563762831.db2.gz GGKUUYKJBLUXQV-LLVKDONJSA-N 1 0 386.265 2.807 20 0 GFADRO C[C@H](C[NH3+])CNC(=O)c1ccccc1Sc1ccc(S(C)(=O)=O)cc1 ZINC000441615815 563763197 /nfs/dbraw/zinc/76/31/97/563763197.db2.gz SFZQZTCDNOBNQA-CYBMUJFWSA-N 1 0 378.519 2.566 20 0 GFADRO [NH3+]C[C@H]1CCCCN1C(=O)Nc1cc(F)c(F)cc1I ZINC000415243995 563763637 /nfs/dbraw/zinc/76/36/37/563763637.db2.gz WYXAHQMANTVUIW-MRVPVSSYSA-N 1 0 395.191 2.915 20 0 GFADRO Cn1cc(Br)cc(NC(=O)N[C@@H](CCC[NH3+])c2ccccc2)c1=O ZINC000415263989 563764830 /nfs/dbraw/zinc/76/48/30/563764830.db2.gz NXQWIOLPUWFALX-AWEZNQCLSA-N 1 0 393.285 2.750 20 0 GFADRO [NH3+][C@H](CNC(=O)Nc1cc(I)ccc1Cl)C1CC1 ZINC000415272478 563764895 /nfs/dbraw/zinc/76/48/95/563764895.db2.gz SWGOEBZQJDDHKX-SNVBAGLBSA-N 1 0 379.629 2.803 20 0 GFADRO [NH3+][C@H]1CCCN(C(=O)C(=O)Nc2cccc(Cl)c2SCC(F)F)C1 ZINC000415274447 563765020 /nfs/dbraw/zinc/76/50/20/563765020.db2.gz URDMFZXRUIBPEH-VIFPVBQESA-N 1 0 377.844 2.585 20 0 GFADRO O=C(Nc1ccc(Cl)cc1I)N1CCC[NH2+]CC1 ZINC000415280769 563765397 /nfs/dbraw/zinc/76/53/97/563765397.db2.gz GYJYXORSRKSOBF-UHFFFAOYSA-N 1 0 379.629 2.772 20 0 GFADRO [NH3+]C1CCN(C(=O)C(=O)Nc2cccc(Cl)c2SCC(F)F)CC1 ZINC000415279502 563765688 /nfs/dbraw/zinc/76/56/88/563765688.db2.gz HSXHSCYSFIEIMB-UHFFFAOYSA-N 1 0 377.844 2.585 20 0 GFADRO COC(=O)c1cc(Br)ccc1NC(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000415322145 563766709 /nfs/dbraw/zinc/76/67/09/563766709.db2.gz BKISUAMGSLMYQS-GHMZBOCLSA-N 1 0 384.274 2.827 20 0 GFADRO C[NH2+][C@H]1CCN(C(=O)C(=O)Nc2cc(Cl)ccc2SCC(F)(F)F)C1 ZINC000415306350 563766727 /nfs/dbraw/zinc/76/67/27/563766727.db2.gz WKUOAYOAZUYCBR-JTQLQIEISA-N 1 0 395.834 2.753 20 0 GFADRO [NH3+]C1(CNC(=O)C(=O)Nc2ccc(F)c(Br)c2)CCCCCC1 ZINC000415310645 563766793 /nfs/dbraw/zinc/76/67/93/563766793.db2.gz XCODMJJBDCUFFQ-UHFFFAOYSA-N 1 0 386.265 2.695 20 0 GFADRO COC(=O)c1cc(Br)ccc1NC(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000415334996 563767362 /nfs/dbraw/zinc/76/73/62/563767362.db2.gz QTGUNHNMTDXVKA-NEPJUHHUSA-N 1 0 382.258 2.594 20 0 GFADRO Cc1cc(Br)cc(Cl)c1NC(=O)C(=O)N(C)C1CC[NH2+]CC1 ZINC000415333631 563767380 /nfs/dbraw/zinc/76/73/80/563767380.db2.gz WLQZCJAHRRHSLC-UHFFFAOYSA-N 1 0 388.693 2.560 20 0 GFADRO CCOC(=O)c1c(NC(=O)N[C@H]2CC[C@H](C[NH3+])C2)sc2c1CCSC2 ZINC000415341624 563768077 /nfs/dbraw/zinc/76/80/77/563768077.db2.gz PDPGUCWTDHSRJS-QWRGUYRKSA-N 1 0 383.539 2.963 20 0 GFADRO Cc1c(C(=O)N[C@H](C)CCCC[NH3+])nnn1-c1cccc(Br)c1 ZINC000291994934 563768138 /nfs/dbraw/zinc/76/81/38/563768138.db2.gz BNNHISXMFGYODE-LLVKDONJSA-N 1 0 380.290 2.586 20 0 GFADRO COC(=O)c1cc(Br)ccc1NC(=O)NCC1(C)CC[NH2+]CC1 ZINC000415338014 563768318 /nfs/dbraw/zinc/76/83/18/563768318.db2.gz VPIIGDHLMSFSOC-UHFFFAOYSA-N 1 0 384.274 2.747 20 0 GFADRO CCOC(=O)c1cc(Br)ccc1NC(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000415348516 563768791 /nfs/dbraw/zinc/76/87/91/563768791.db2.gz KWPNYDYFZTZIMM-SMDDNHRTSA-N 1 0 396.285 2.842 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N[C@@H](C)[C@@H]2CCC[NH2+]C2)cc1Br ZINC000415348482 563768915 /nfs/dbraw/zinc/76/89/15/563768915.db2.gz KUNNJYMQVOUCKR-QWHCGFSZSA-N 1 0 382.302 2.509 20 0 GFADRO [NH3+]C[C@@H]1CCCCN1C(=O)Nc1cnn(-c2ccccc2Br)c1 ZINC000415350462 563769542 /nfs/dbraw/zinc/76/95/42/563769542.db2.gz FUKGOKDRBYRKBS-ZDUSSCGKSA-N 1 0 378.274 2.980 20 0 GFADRO C[C@H](NC(=O)C(=O)Nc1ccc(C(F)(F)F)cc1Cl)[C@@H]1CCC[NH2+]C1 ZINC000415351548 563769588 /nfs/dbraw/zinc/76/95/88/563769588.db2.gz JODIHFRKLTUJFO-VHSXEESVSA-N 1 0 377.794 2.802 20 0 GFADRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)Nc2cnn(-c3ccccc3Br)c2)C1 ZINC000415357897 563770139 /nfs/dbraw/zinc/77/01/39/563770139.db2.gz SLSSFDSDKBZWCW-VXGBXAGGSA-N 1 0 378.274 2.884 20 0 GFADRO C[NH2+]C[C@H]1CCN(C(=O)Nc2cnn(-c3ccccc3Br)c2)C1 ZINC000415356463 563770149 /nfs/dbraw/zinc/77/01/49/563770149.db2.gz QKIWVWYTOKCEGX-GFCCVEGCSA-N 1 0 378.274 2.708 20 0 GFADRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)Nc1cccc(F)c1I ZINC000415359632 563770568 /nfs/dbraw/zinc/77/05/68/563770568.db2.gz KXKBMXBCBWTBAQ-WPRPVWTQSA-N 1 0 377.201 2.550 20 0 GFADRO Cc1nc2cc(Cl)c(NC(=O)C(=O)N[C@H](C)[C@@H]3CCC[NH2+]C3)cc2s1 ZINC000415363789 563770773 /nfs/dbraw/zinc/77/07/73/563770773.db2.gz XFCLUEVDSFEKAL-MWLCHTKSSA-N 1 0 380.901 2.701 20 0 GFADRO O=C(NCC[C@H]1CC[NH2+]C1)Nc1cccc(F)c1I ZINC000415361622 563770827 /nfs/dbraw/zinc/77/08/27/563770827.db2.gz NOHYOCRBFFGJBP-SECBINFHSA-N 1 0 377.201 2.551 20 0 GFADRO O=C([C@H]1CCn2cncc2C1)N1CCc2c(Br)ccc(F)c2C1 ZINC000365040594 563772165 /nfs/dbraw/zinc/77/21/65/563772165.db2.gz JEXWUSZJFOTIPD-NSHDSACASA-N 1 0 378.245 2.932 20 0 GFADRO COC(=O)c1cc(Br)cc(C(=O)N(C)[C@H]2CC[N@H+](C)C[C@H]2C)c1 ZINC000292071085 563772556 /nfs/dbraw/zinc/77/25/56/563772556.db2.gz IJRDPOWRGRXFNB-ABAIWWIYSA-N 1 0 383.286 2.648 20 0 GFADRO Cc1cc(F)c(NC(=O)N2CC[NH2+]C(C)(C)C2)c(I)c1 ZINC000415407326 563773019 /nfs/dbraw/zinc/77/30/19/563773019.db2.gz QMGBPEXMCLAZQQ-UHFFFAOYSA-N 1 0 391.228 2.954 20 0 GFADRO CCCN(C(=O)C(=O)Nc1ccc(Cl)cc1Br)[C@@H]1CC[NH2+]C1 ZINC000415402507 563773044 /nfs/dbraw/zinc/77/30/44/563773044.db2.gz KDECDASQBPKUAN-LLVKDONJSA-N 1 0 388.693 2.642 20 0 GFADRO Cc1cc(F)c(NC(=O)NC[C@H]2CCC[NH2+]C2)c(I)c1 ZINC000415404474 563773075 /nfs/dbraw/zinc/77/30/75/563773075.db2.gz MSINXIZMNKAXCQ-JTQLQIEISA-N 1 0 391.228 2.860 20 0 GFADRO Cc1cc(F)c(NC(=O)N(C)[C@@H](C[NH3+])C2CC2)c(I)c1 ZINC000415413479 563773764 /nfs/dbraw/zinc/77/37/64/563773764.db2.gz YTQOJKYKEHFFJL-LBPRGKRZSA-N 1 0 391.228 2.940 20 0 GFADRO [NH3+]C[C@@H](NC(=O)C(=O)Nc1ccc(Br)cc1F)C1CCCCC1 ZINC000415422824 563774236 /nfs/dbraw/zinc/77/42/36/563774236.db2.gz FHZLELHGOSGFIQ-CQSZACIVSA-N 1 0 386.265 2.551 20 0 GFADRO COC(=O)c1cc(Br)cc(C(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000292107222 563774591 /nfs/dbraw/zinc/77/45/91/563774591.db2.gz LVMSVKXZNOYUMI-IAQYHMDHSA-N 1 0 383.286 2.790 20 0 GFADRO Cc1ccc(Br)c(NC(=O)C(=O)N[C@H](C[NH3+])C2CCCCC2)c1 ZINC000415427964 563774819 /nfs/dbraw/zinc/77/48/19/563774819.db2.gz PMCHFTJRHONERS-OAHLLOKOSA-N 1 0 382.302 2.720 20 0 GFADRO [NH3+]C[C@@H](NC(=O)C(=O)Nc1ccc(F)cc1Br)C1CCCCC1 ZINC000415435778 563775740 /nfs/dbraw/zinc/77/57/40/563775740.db2.gz ZXIKQZUVJACJNY-CQSZACIVSA-N 1 0 386.265 2.551 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)Nc2cc(Cl)ccc2C(F)(F)F)C1 ZINC000415433551 563775744 /nfs/dbraw/zinc/77/57/44/563775744.db2.gz GSZIAYGLZWBPJR-UWVGGRQHSA-N 1 0 377.794 2.883 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)Nc2cccc(Cl)c2Br)C1 ZINC000415437625 563775818 /nfs/dbraw/zinc/77/58/18/563775818.db2.gz KPPTVRITADFPBJ-VHSXEESVSA-N 1 0 388.693 2.627 20 0 GFADRO Cc1ccc(SCC(F)(F)F)c(NC(=O)C(=O)NC[C@H]([NH3+])C(C)C)c1 ZINC000415441401 563776417 /nfs/dbraw/zinc/77/64/17/563776417.db2.gz PDSOXSFPIUQMEY-NSHDSACASA-N 1 0 377.432 2.687 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000415452325 563777024 /nfs/dbraw/zinc/77/70/24/563777024.db2.gz OTRBYYVRXKRODU-UHFFFAOYSA-N 1 0 394.313 2.687 20 0 GFADRO COC(=O)c1cc(Br)c(F)cc1NC(=O)N[C@](C)(C[NH3+])C1CC1 ZINC000415466269 563777491 /nfs/dbraw/zinc/77/74/91/563777491.db2.gz GYFYLXUWXXQZIQ-OAHLLOKOSA-N 1 0 388.237 2.624 20 0 GFADRO CC(C)C[N@@H+]1CCCC[C@H]1CNS(=O)(=O)c1cnccc1C(F)(F)F ZINC000442745161 563778209 /nfs/dbraw/zinc/77/82/09/563778209.db2.gz OFLAUTPHCPFNAH-ZDUSSCGKSA-N 1 0 379.448 2.889 20 0 GFADRO COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)N(C)CC[C@H]([NH3+])C(C)C ZINC000415484839 563778918 /nfs/dbraw/zinc/77/89/18/563778918.db2.gz ISECNIXWIVIPDM-LBPRGKRZSA-N 1 0 376.284 2.772 20 0 GFADRO O=C(Nc1cc(Cl)ccc1C(F)(F)F)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000415485223 563778944 /nfs/dbraw/zinc/77/89/44/563778944.db2.gz OMCUBHHHXQKKNM-MNOVXSKESA-N 1 0 375.778 2.650 20 0 GFADRO O=C(NCCC[NH2+]C1CC1)Nc1nnc(-c2cccc(Br)c2)s1 ZINC000415499476 563779554 /nfs/dbraw/zinc/77/95/54/563779554.db2.gz LFOBTODOTYIMTM-UHFFFAOYSA-N 1 0 396.314 3.231 20 0 GFADRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)Nc3nnc(-c4cccc(Cl)c4)s3)C[C@H]21 ZINC000415500408 563779780 /nfs/dbraw/zinc/77/97/80/563779780.db2.gz MUMBRPCBVAHCIO-IACUBPJLSA-N 1 0 377.901 3.450 20 0 GFADRO C[C@H]1C[C@H](NC(=O)Nc2nnc(-c3cccc(Br)c3)s2)CC[NH2+]1 ZINC000415500439 563779838 /nfs/dbraw/zinc/77/98/38/563779838.db2.gz MZJAKCNYRXQSMA-JOYOIKCWSA-N 1 0 396.314 3.230 20 0 GFADRO O=C(Nc1ccc(Br)c(F)c1)C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000415513365 563780775 /nfs/dbraw/zinc/78/07/75/563780775.db2.gz DTHYPSMHYQBJIY-HNNXBMFYSA-N 1 0 398.276 2.517 20 0 GFADRO C[C@@](C[NH3+])(NC(=O)Nc1ccnn1Cc1ccccc1Br)C1CC1 ZINC000415522164 563781543 /nfs/dbraw/zinc/78/15/43/563781543.db2.gz LZSNTMABKPFRIX-KRWDZBQOSA-N 1 0 392.301 2.943 20 0 GFADRO C[NH2+]C[C@H]1CCN(C(=O)Nc2ccnn2Cc2cccc(Br)c2)C1 ZINC000415528991 563782526 /nfs/dbraw/zinc/78/25/26/563782526.db2.gz REYDNSJFFDFBCK-CQSZACIVSA-N 1 0 392.301 2.767 20 0 GFADRO C[C@H]1CN(C(=O)Nc2ccnn2Cc2cccc(Br)c2)CC[NH2+]1 ZINC000415526732 563782598 /nfs/dbraw/zinc/78/25/98/563782598.db2.gz KMFZLSCTJZOFQP-LBPRGKRZSA-N 1 0 378.274 2.520 20 0 GFADRO C[C@H]1CC[N@H+](CCCOc2cccc(I)c2)[C@@H]1CO ZINC000442889346 563782727 /nfs/dbraw/zinc/78/27/27/563782727.db2.gz DWHIVVLCKKSCFB-SWLSCSKDSA-N 1 0 375.250 2.763 20 0 GFADRO [NH3+]C1CCN(C(=O)Nc2ccnn2Cc2cccc(Br)c2)CC1 ZINC000415531103 563783295 /nfs/dbraw/zinc/78/32/95/563783295.db2.gz XXHDQIISYBZJCK-UHFFFAOYSA-N 1 0 378.274 2.649 20 0 GFADRO [NH3+][C@@H]1CCCN(C(=O)Nc2ccnn2Cc2cccc(Br)c2)C1 ZINC000415531100 563783390 /nfs/dbraw/zinc/78/33/90/563783390.db2.gz XUDCDCSDCSDUQL-CQSZACIVSA-N 1 0 378.274 2.649 20 0 GFADRO C[C@@H](NC(=O)Nc1nc2ccc(I)cc2s1)[C@H](C)[NH3+] ZINC000415532731 563783406 /nfs/dbraw/zinc/78/34/06/563783406.db2.gz ZZMKBQSBBWZEMK-NKWVEPMBSA-N 1 0 390.250 2.758 20 0 GFADRO COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000415539897 563783627 /nfs/dbraw/zinc/78/36/27/563783627.db2.gz KOAQGDGBXVNGGP-ZACCUICWSA-N 1 0 386.279 2.682 20 0 GFADRO COCC1(CNC(=O)Nc2cc(Br)c(F)cc2F)CC[NH2+]CC1 ZINC000415565334 563784261 /nfs/dbraw/zinc/78/42/61/563784261.db2.gz OWEQMPSQVQAOFT-UHFFFAOYSA-N 1 0 392.244 2.865 20 0 GFADRO COc1c(Cl)cc(NC(=O)C(=O)N2CCC3(C2)CC[NH2+]CC3)cc1Cl ZINC000415554032 563784373 /nfs/dbraw/zinc/78/43/73/563784373.db2.gz PPRLGGMTLNKRBH-UHFFFAOYSA-N 1 0 386.279 2.543 20 0 GFADRO CO[C@H]1CCN(C(=O)Nc2c(F)cc(F)cc2Br)[C@@H](C[NH3+])C1 ZINC000415563247 563784703 /nfs/dbraw/zinc/78/47/03/563784703.db2.gz YBWITYNEILZVPI-ZJUUUORDSA-N 1 0 378.217 2.697 20 0 GFADRO C[C@@H](CNC(=O)C1(Cc2ccccc2Br)CC1)N1CC[NH+](C)CC1 ZINC000292420041 563786344 /nfs/dbraw/zinc/78/63/44/563786344.db2.gz ZZUHHFBEZNPNCZ-HNNXBMFYSA-N 1 0 394.357 2.524 20 0 GFADRO C[NH2+][C@H]1CCCN(C(=O)Nc2ccc(Br)c(C(=O)OC)c2C)C1 ZINC000415593887 563786470 /nfs/dbraw/zinc/78/64/70/563786470.db2.gz FPKZMIVEJRZAHM-NSHDSACASA-N 1 0 384.274 2.760 20 0 GFADRO O=C(CCNc1ncc(C(F)(F)F)cc1Cl)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000292454504 563787206 /nfs/dbraw/zinc/78/72/06/563787206.db2.gz LDFHNWVTWRGRNL-MFKMUULPSA-N 1 0 376.810 2.766 20 0 GFADRO Cc1c(Br)cccc1C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000365585704 563787517 /nfs/dbraw/zinc/78/75/17/563787517.db2.gz RAPLQQBAULMXHD-CQSZACIVSA-N 1 0 380.330 2.656 20 0 GFADRO COC(=O)c1cc(NC(=O)N[C@H]2CC[C@H](C[NH3+])C2)cc(Br)c1F ZINC000415608728 563787630 /nfs/dbraw/zinc/78/76/30/563787630.db2.gz LYZTZMUXQIQWTD-IUCAKERBSA-N 1 0 388.237 2.624 20 0 GFADRO COC(=O)c1cc(NC(=O)N2C[C@@H](C[NH3+])C[C@@H]2C)cc(Br)c1F ZINC000415615187 563788337 /nfs/dbraw/zinc/78/83/37/563788337.db2.gz QKLOXEIUNLTKLI-DTWKUNHWSA-N 1 0 388.237 2.576 20 0 GFADRO COC(=O)c1cc(F)c(Br)cc1NC(=O)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000415631631 563788709 /nfs/dbraw/zinc/78/87/09/563788709.db2.gz MNXDVOWCFMRNCE-BDAKNGLRSA-N 1 0 388.237 2.637 20 0 GFADRO COC(=O)c1cc(F)c(Br)cc1NC(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000415630793 563788763 /nfs/dbraw/zinc/78/87/63/563788763.db2.gz HQMIYZJLSRNOTL-BDAKNGLRSA-N 1 0 388.237 2.766 20 0 GFADRO CSc1ccc(Cl)cc1NC(=O)C(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000415646335 563790204 /nfs/dbraw/zinc/79/02/04/563790204.db2.gz ZKORRDPQCREXGN-UHFFFAOYSA-N 1 0 381.929 2.993 20 0 GFADRO COC(=O)c1cc(NC(=O)N[C@@H](CC[NH3+])C(F)F)c(C)cc1Br ZINC000415702318 563792186 /nfs/dbraw/zinc/79/21/86/563792186.db2.gz DGDNOFJWPJCOLJ-JTQLQIEISA-N 1 0 394.216 2.648 20 0 GFADRO C[C@H](CCCC[NH3+])NC(=O)C(=O)Nc1cc(F)c(Br)c(Cl)c1 ZINC000415736644 563793665 /nfs/dbraw/zinc/79/36/65/563793665.db2.gz BBYLNYBCVWJXTG-MRVPVSSYSA-N 1 0 394.672 2.814 20 0 GFADRO Cc1ccc(SCC(F)(F)F)c(NC(=O)C(=O)N2CC[C@H]([NH3+])[C@@H]2C)c1 ZINC000415737635 563793976 /nfs/dbraw/zinc/79/39/76/563793976.db2.gz GJBJKTNAEQYQOJ-QWRGUYRKSA-N 1 0 375.416 2.536 20 0 GFADRO CN(Cc1ccccc1S(N)(=O)=O)C[C@@H](O)c1ccc(Cl)cc1Cl ZINC000292737300 563794565 /nfs/dbraw/zinc/79/45/65/563794565.db2.gz NABLTDZZYKHSIM-OAHLLOKOSA-N 1 0 389.304 2.806 20 0 GFADRO CO[C@@H]1CCN(C(=O)Nc2cccc(Cl)c2OCC(F)F)[C@H](C[NH3+])C1 ZINC000415751748 563794671 /nfs/dbraw/zinc/79/46/71/563794671.db2.gz WKGBCPMLMQWLOJ-WDEREUQCSA-N 1 0 377.819 2.954 20 0 GFADRO COc1cc(I)ccc1NC(=O)N[C@@H](C[NH3+])C(C)(C)C ZINC000415775583 563796327 /nfs/dbraw/zinc/79/63/27/563796327.db2.gz VBPZSOAOGJIOAL-LBPRGKRZSA-N 1 0 391.253 2.795 20 0 GFADRO COc1cc(I)ccc1NC(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000415774404 563796346 /nfs/dbraw/zinc/79/63/46/563796346.db2.gz PUIDOVGMEVTPAC-MWLCHTKSSA-N 1 0 389.237 2.562 20 0 GFADRO O=C(NCCC[C@@H]1CCC[NH2+]1)C(=O)Nc1cc2c(cc1Br)CCC2 ZINC000415805741 563796828 /nfs/dbraw/zinc/79/68/28/563796828.db2.gz NTFMBQIQTVQERS-AWEZNQCLSA-N 1 0 394.313 2.525 20 0 GFADRO Cc1nc2cc(Cl)c(NC(=O)C(=O)NCCC[C@H]3CCC[NH2+]3)cc2s1 ZINC000415801341 563796877 /nfs/dbraw/zinc/79/68/77/563796877.db2.gz GJWSJLNUBKHXFW-LLVKDONJSA-N 1 0 380.901 2.845 20 0 GFADRO O=C(NCCC[C@@H]1CCC[NH2+]1)C(=O)Nc1ccc(Cl)c(Br)c1 ZINC000415799269 563796992 /nfs/dbraw/zinc/79/69/92/563796992.db2.gz BYNGUCKIUZNMQW-JTQLQIEISA-N 1 0 388.693 2.689 20 0 GFADRO [NH3+][C@H]1CCC[C@H](CNC(=O)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)C1 ZINC000415807124 563797488 /nfs/dbraw/zinc/79/74/88/563797488.db2.gz KXRNHVIYEQTGEB-ONGXEEELSA-N 1 0 377.794 2.931 20 0 GFADRO [NH3+][C@H]1CCC[C@H](CNC(=O)C(=O)Nc2ccc(C(F)(F)F)cc2Cl)C1 ZINC000415805856 563797580 /nfs/dbraw/zinc/79/75/80/563797580.db2.gz JOPRCUODGZRLLR-ONGXEEELSA-N 1 0 377.794 2.931 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H](CNC(=O)C(=O)Nc2ccc(Cl)c(OC(F)F)c2)C1 ZINC000415809745 563797633 /nfs/dbraw/zinc/79/76/33/563797633.db2.gz NGSVQSWXZVZDBK-NXEZZACHSA-N 1 0 375.803 2.514 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)C(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000415825885 563798197 /nfs/dbraw/zinc/79/81/97/563798197.db2.gz ZFMGPYLVPOVCHR-KBPBESRZSA-N 1 0 394.313 2.544 20 0 GFADRO Brc1ccc(-c2nnc(CN3CC[NH+]([C@@H]4CCSC4)CC3)o2)o1 ZINC000366069900 563798369 /nfs/dbraw/zinc/79/83/69/563798369.db2.gz ZKOFWCFWZLQMDD-LLVKDONJSA-N 1 0 399.314 2.715 20 0 GFADRO Cc1cccc(NC(=O)C(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1Br ZINC000415853488 563799814 /nfs/dbraw/zinc/79/98/14/563799814.db2.gz LOWMSIIJGMUWNO-ZIAGYGMSSA-N 1 0 394.313 2.544 20 0 GFADRO C[C@H](CNC(=O)N[C@@H](CC[NH3+])C(F)(F)F)Oc1ccccc1Br ZINC000416002747 563801543 /nfs/dbraw/zinc/80/15/43/563801543.db2.gz FRZIKUCNGZFKTE-SKDRFNHKSA-N 1 0 398.223 2.795 20 0 GFADRO [NH3+]CC[C@@H](NC(=O)N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1)C(F)(F)F ZINC000416006115 563801602 /nfs/dbraw/zinc/80/16/02/563801602.db2.gz KRSROLXFEOCRBV-NOZJJQNGSA-N 1 0 382.789 2.637 20 0 GFADRO COC(=O)C1CCN(C(=O)C[NH2+][C@H](C)c2ccc(Br)s2)CC1 ZINC000443341008 563801568 /nfs/dbraw/zinc/80/15/68/563801568.db2.gz KMIAGGXDVMXILV-SNVBAGLBSA-N 1 0 389.315 2.573 20 0 GFADRO Cc1ccc(NC(=O)c2nn(C)cc2Br)c(OCC[NH+](C)C)c1 ZINC000293169137 563802384 /nfs/dbraw/zinc/80/23/84/563802384.db2.gz NPTFCVQVJFKMNL-UHFFFAOYSA-N 1 0 381.274 2.684 20 0 GFADRO COCCN(Cc1ccc(F)cc1Cl)C(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000416016689 563802566 /nfs/dbraw/zinc/80/25/66/563802566.db2.gz XKHGROCKXQSPTK-CYBMUJFWSA-N 1 0 385.789 2.917 20 0 GFADRO O=C(NCC1([NH+]2CCCC2)CCOCC1)c1cccc(F)c1Br ZINC000293194459 563803171 /nfs/dbraw/zinc/80/31/71/563803171.db2.gz VWBBYSDUKHEXLP-UHFFFAOYSA-N 1 0 385.277 2.963 20 0 GFADRO Cc1nc(NC(=O)C[C@H](c2ccccc2)[NH+](C)C)sc1SCC(N)=O ZINC000416135875 563806424 /nfs/dbraw/zinc/80/64/24/563806424.db2.gz KZFHMNSBHTXKNF-CYBMUJFWSA-N 1 0 378.523 2.660 20 0 GFADRO CS(=O)(=O)N1CCC[C@H](C[N@@H+]2CCC[C@@H](Oc3ccccc3Cl)C2)C1 ZINC000443659864 563809597 /nfs/dbraw/zinc/80/95/97/563809597.db2.gz RJRKIYIPEYASEB-HZPDHXFCSA-N 1 0 386.945 2.855 20 0 GFADRO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000293492391 563814980 /nfs/dbraw/zinc/81/49/80/563814980.db2.gz RZUMBHONFRBRPY-BXUZGUMPSA-N 1 0 391.265 2.688 20 0 GFADRO COc1cc(NC(=O)CSCc2cscn2)ccc1OCC[NH+](C)C ZINC000416343645 563816813 /nfs/dbraw/zinc/81/68/13/563816813.db2.gz SVULPGUEEKZVRQ-UHFFFAOYSA-N 1 0 381.523 2.964 20 0 GFADRO C[C@@H]1CN(C[C@H](O)COc2ccc(Cl)cc2Br)C[C@H](C)[N@H+]1C ZINC000293547936 563817904 /nfs/dbraw/zinc/81/79/04/563817904.db2.gz YSZPJVDXGVUTQQ-SCRDCRAPSA-N 1 0 391.737 2.867 20 0 GFADRO COC(C[NH2+]C1(Cc2ccc(F)cc2Br)CCOCC1)OC ZINC000293540806 563817967 /nfs/dbraw/zinc/81/79/67/563817967.db2.gz KEXUIUSQUXXHDP-UHFFFAOYSA-N 1 0 376.266 2.888 20 0 GFADRO COC(=O)c1c(Cl)cccc1S(=O)(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000416405516 563823721 /nfs/dbraw/zinc/82/37/21/563823721.db2.gz CAIZAMXZJWRTDL-CYBMUJFWSA-N 1 0 388.917 2.622 20 0 GFADRO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)c1nn(-c2ccc(F)cc2)cc1Br ZINC000366941215 563825153 /nfs/dbraw/zinc/82/51/53/563825153.db2.gz AIWCFXZRYMXTLQ-AAEUAGOBSA-N 1 0 399.239 2.546 20 0 GFADRO CC[NH+](CC)C[C@H]1CCN(S(=O)(=O)c2cc(Cl)c(OC)cc2OC)C1 ZINC000416411591 563825150 /nfs/dbraw/zinc/82/51/50/563825150.db2.gz KLPWNCSPIDFLBW-CYBMUJFWSA-N 1 0 390.933 2.710 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)C[N@@H+]1CCCC[C@H]1[C@@H]1CNC(=O)C1 ZINC000367035804 563828293 /nfs/dbraw/zinc/82/82/93/563828293.db2.gz CVRDTNSRDQREOH-BBRMVZONSA-N 1 0 394.313 2.687 20 0 GFADRO C[NH+]1CCC(CNC(=O)N[C@H]2COc3cc(F)c(Br)cc32)CC1 ZINC000367115348 563831876 /nfs/dbraw/zinc/83/18/76/563831876.db2.gz XJBVJJSGLCOHHO-AWEZNQCLSA-N 1 0 386.265 2.663 20 0 GFADRO CN(C(=O)c1ccc(NC(=O)C2SCCS2)cc1)[C@@H]1CCC[N@H+](C)C1 ZINC000367141788 563833335 /nfs/dbraw/zinc/83/33/35/563833335.db2.gz RDHLZZLBSLTHSA-OAHLLOKOSA-N 1 0 379.551 2.597 20 0 GFADRO COC(=O)CC[C@@H]([NH3+])C(=O)N[C@H]1CCCOc2c(Cl)c(Cl)ccc21 ZINC000367283612 563839265 /nfs/dbraw/zinc/83/92/65/563839265.db2.gz XPJVHHNCZYVOAZ-NEPJUHHUSA-N 1 0 375.252 2.604 20 0 GFADRO COC(=O)CC[C@@H]([NH3+])C(=O)N[C@@H]1CCCOc2c(Cl)c(Cl)ccc21 ZINC000367283615 563839361 /nfs/dbraw/zinc/83/93/61/563839361.db2.gz XPJVHHNCZYVOAZ-VXGBXAGGSA-N 1 0 375.252 2.604 20 0 GFADRO CC[N@H+](CCNC(=O)Nc1cc(Br)cnc1-n1cccn1)C(C)C ZINC000444919486 563839705 /nfs/dbraw/zinc/83/97/05/563839705.db2.gz DJRYMGLRAVKVPN-UHFFFAOYSA-N 1 0 395.305 2.882 20 0 GFADRO O=C(Nc1cnc2c(c1)C[NH2+]CC2)c1ccc(I)cc1 ZINC000367372274 563842191 /nfs/dbraw/zinc/84/21/91/563842191.db2.gz QMFNMUMBHGIKHQ-UHFFFAOYSA-N 1 0 379.201 2.584 20 0 GFADRO C[NH+](C)CCOc1cc(CNC(=O)Cc2cscc2Br)ccn1 ZINC000294521131 563845267 /nfs/dbraw/zinc/84/52/67/563845267.db2.gz KDVSZFAIYBYVDR-UHFFFAOYSA-N 1 0 398.326 2.705 20 0 GFADRO Cn1ncc(Br)c1C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000294659270 563849744 /nfs/dbraw/zinc/84/97/44/563849744.db2.gz CNKVIIFCZNKXGF-OAHLLOKOSA-N 1 0 377.286 2.750 20 0 GFADRO CS[C@@H]1CN(S(=O)(=O)c2ccc(OC(C)C)cc2)C[C@H]1[NH+]1CCCC1 ZINC000445749482 563853766 /nfs/dbraw/zinc/85/37/66/563853766.db2.gz HUUNOMWXQJEMIC-QZTJIDSGSA-N 1 0 384.567 2.674 20 0 GFADRO CCCN(CCC[NH+](C)C)C(=O)N[C@H]1C[C@H](C)S(=O)(=O)c2sccc21 ZINC000367757029 563854272 /nfs/dbraw/zinc/85/42/72/563854272.db2.gz KFPFPZCJOJVKRM-ZFWWWQNUSA-N 1 0 387.571 2.728 20 0 GFADRO C[NH+](C)C1(CNC(=O)N[C@@H]2CCN(c3ccc(Br)cc3)C2)CCC1 ZINC000445876714 563854965 /nfs/dbraw/zinc/85/49/65/563854965.db2.gz YRGDDRWNFSSCDS-OAHLLOKOSA-N 1 0 395.345 2.811 20 0 GFADRO O=C1CCN(C[NH2+][C@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)CC1 ZINC000367820064 563856776 /nfs/dbraw/zinc/85/67/76/563856776.db2.gz HMLNMMXWXVDCGS-LBPRGKRZSA-N 1 0 376.810 2.545 20 0 GFADRO O=C1NC[C@@H]2CN(Cc3ccc(OC(F)(F)F)c(Br)c3)CC[C@H]12 ZINC000367926496 563859517 /nfs/dbraw/zinc/85/95/17/563859517.db2.gz ODTFHZLPWXKXIY-MNOVXSKESA-N 1 0 393.203 2.916 20 0 GFADRO O=C1NC[C@@H]2CN(Cc3ccc(OC(F)F)c(Br)c3)CC[C@H]12 ZINC000367922927 563859566 /nfs/dbraw/zinc/85/95/66/563859566.db2.gz DWZUIJSWFUOKMB-MNOVXSKESA-N 1 0 375.213 2.618 20 0 GFADRO CN1C(=O)CC[C@@H]([NH2+]Cc2cnc(C3OCCO3)s2)[C@@H]1c1cccs1 ZINC000368030477 563861869 /nfs/dbraw/zinc/86/18/69/563861869.db2.gz NZOVLCBHHKAFPI-IUODEOHRSA-N 1 0 379.507 2.702 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000416825178 563862013 /nfs/dbraw/zinc/86/20/13/563862013.db2.gz IZIAIVSCLSZGCY-DOMZBBRYSA-N 1 0 397.317 2.513 20 0 GFADRO Brc1ccc(C[NH2+][C@@H]2CCc3nc[nH]c3C2)c(N2CCOCC2)c1 ZINC000368089187 563863162 /nfs/dbraw/zinc/86/31/62/563863162.db2.gz KCQXUYNHBVKSDG-OAHLLOKOSA-N 1 0 391.313 2.656 20 0 GFADRO CC[N@H+](CCO)CCNC(=O)N[C@@H](c1ccc(F)c(Cl)c1)C(F)(F)F ZINC000446366739 563863541 /nfs/dbraw/zinc/86/35/41/563863541.db2.gz NDLVIHQURARXMT-ZDUSSCGKSA-N 1 0 385.789 2.696 20 0 GFADRO O=C(c1cc(-c2ccc(Br)cc2)n[nH]1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000446407822 563863758 /nfs/dbraw/zinc/86/37/58/563863758.db2.gz YJLHWRNXYCBEHY-OKILXGFUSA-N 1 0 375.270 2.806 20 0 GFADRO [NH3+][C@@H]1CCC[C@H](NC(=O)[C@H](c2ccc(Cl)cc2Cl)N2CCOCC2)C1 ZINC000446403609 563863838 /nfs/dbraw/zinc/86/38/38/563863838.db2.gz XSKWRRXLNPABEY-KEYYUXOJSA-N 1 0 386.323 2.753 20 0 GFADRO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000368144782 563864930 /nfs/dbraw/zinc/86/49/30/563864930.db2.gz DVKUTRFDGAEFOY-CQSZACIVSA-N 1 0 391.265 2.736 20 0 GFADRO Cc1cc(Br)c(F)cc1NC(=O)N1C[C@H](C)[N@@H+](CCO)C[C@@H]1C ZINC000416992536 563865405 /nfs/dbraw/zinc/86/54/05/563865405.db2.gz HRUKLSMNCZADOX-RYUDHWBXSA-N 1 0 388.281 2.815 20 0 GFADRO Cc1ccc(-n2nc(Br)cc2C(=O)N[C@H]2CC23CC[NH2+]CC3)cc1 ZINC000368194375 563866057 /nfs/dbraw/zinc/86/60/57/563866057.db2.gz QGBWXQHTTYVPTC-HNNXBMFYSA-N 1 0 389.297 2.815 20 0 GFADRO COc1ccc(Br)c(CNC(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)c1 ZINC000417142382 563869087 /nfs/dbraw/zinc/86/90/87/563869087.db2.gz RKQOIDKMDBDXMD-AWEZNQCLSA-N 1 0 396.329 2.989 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2S(=O)(=O)c1c(Cl)cccc1Cl ZINC000446928558 563870343 /nfs/dbraw/zinc/87/03/43/563870343.db2.gz GTCUVCAMVIAWCO-BYCMXARLSA-N 1 0 393.336 2.866 20 0 GFADRO CC(C)(C[NH3+])NC(=O)NCC1(c2cccc(Br)c2)CCOCC1 ZINC000417181352 563870792 /nfs/dbraw/zinc/87/07/92/563870792.db2.gz PPSNBPMSQISQLA-UHFFFAOYSA-N 1 0 384.318 2.534 20 0 GFADRO C[C@@H](NC(=O)N1CC[C@@](C)(C[NH3+])C1)c1cc2c(cc1Br)OCCO2 ZINC000417186573 563871832 /nfs/dbraw/zinc/87/18/32/563871832.db2.gz VILLMEDPJXQRTD-DIFFPNOSSA-N 1 0 398.301 2.662 20 0 GFADRO C[C@@H]([NH3+])C1CCN(C(=O)NCCC(=O)Nc2ccc(Br)cc2)CC1 ZINC000417213576 563873730 /nfs/dbraw/zinc/87/37/30/563873730.db2.gz HYZLTMYVJXWPBH-GFCCVEGCSA-N 1 0 397.317 2.547 20 0 GFADRO [NH3+][C@H]1CCC[C@H](CNC(=O)NCCC(=O)Nc2ccc(Br)cc2)C1 ZINC000417224041 563874042 /nfs/dbraw/zinc/87/40/42/563874042.db2.gz LXWMFOVLHUJJGP-JSGCOSHPSA-N 1 0 397.317 2.594 20 0 GFADRO COC[C@@]1(CNC(=O)N[C@H](C)CCc2ccc(Br)cc2)CCC[NH2+]1 ZINC000417226056 563874293 /nfs/dbraw/zinc/87/42/93/563874293.db2.gz KEHVZEVUNFDHLU-KDOFPFPSSA-N 1 0 398.345 2.838 20 0 GFADRO C[N@@H+]1CC[C@H]2CCN(C(=O)c3cc(F)ccc3I)C[C@H]21 ZINC000368589409 563874667 /nfs/dbraw/zinc/87/46/67/563874667.db2.gz IUNHEYKYNOHXIY-IINYFYTJSA-N 1 0 388.224 2.597 20 0 GFADRO CO[C@@H]1CCN(C(=O)N[C@H](C)CCc2ccc(Br)cc2)[C@@H](C[NH3+])C1 ZINC000417237054 563874809 /nfs/dbraw/zinc/87/48/09/563874809.db2.gz VRCKNRQLYCHRKB-KBRIMQKVSA-N 1 0 398.345 2.918 20 0 GFADRO C[C@@H]1C[C@H]([NH2+][C@H]2CCN(c3cccc(Br)c3)C2=O)CN1C1CC1 ZINC000447090341 563874919 /nfs/dbraw/zinc/87/49/19/563874919.db2.gz YCIKMLXNFYWCFI-IFIJOSMWSA-N 1 0 378.314 2.769 20 0 GFADRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)c3cnn(-c4cccc(Br)c4)c3)C[C@@H]21 ZINC000368611777 563875570 /nfs/dbraw/zinc/87/55/70/563875570.db2.gz IQECRDDKWFKBTF-AFAVFJNCSA-N 1 0 389.297 2.834 20 0 GFADRO [NH3+]CC1CCN(C(=O)NC[C@H]2CCN(c3cccc(Br)c3)C2)CC1 ZINC000417268068 563875649 /nfs/dbraw/zinc/87/56/49/563875649.db2.gz YTKDEQYRQZHYNQ-OAHLLOKOSA-N 1 0 395.345 2.656 20 0 GFADRO CO[C@@H]1CCN(C(=O)N[C@@H](C)Cc2cccc(Br)c2)[C@H](C[NH3+])C1 ZINC000417288559 563877290 /nfs/dbraw/zinc/87/72/90/563877290.db2.gz RVQDPTSSVLJORZ-VBNZEHGJSA-N 1 0 384.318 2.528 20 0 GFADRO [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NS(=O)(=O)c1cc(Br)ccc1F ZINC000447247104 563877886 /nfs/dbraw/zinc/87/78/86/563877886.db2.gz QADSCNBGRGPBSO-BTOWRCTQSA-N 1 0 391.306 2.773 20 0 GFADRO [NH3+][C@@H]1CCC[C@H]2CN(S(=O)(=O)c3cc(Br)ccc3Cl)C[C@H]21 ZINC000447253221 563878237 /nfs/dbraw/zinc/87/82/37/563878237.db2.gz WXLPEIKDGLEBQZ-UFGOTCBOSA-N 1 0 393.734 2.850 20 0 GFADRO O=C(NCc1cc(Br)ccc1OC(F)F)NC[C@@H]1CCC[NH2+]C1 ZINC000417406636 563879278 /nfs/dbraw/zinc/87/92/78/563879278.db2.gz LIMVDDQOSBIQKC-SNVBAGLBSA-N 1 0 392.244 2.849 20 0 GFADRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NCc1cc(Br)ccc1OC(F)F ZINC000417402794 563879352 /nfs/dbraw/zinc/87/93/52/563879352.db2.gz FKCJQULLNZYSNW-SKDRFNHKSA-N 1 0 392.244 2.848 20 0 GFADRO [NH3+][C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)CCC[S@](=O)c1ccc(Br)cc1 ZINC000368808880 563879516 /nfs/dbraw/zinc/87/95/16/563879516.db2.gz CSUJYLXDQRWCNE-SONXGWPDSA-N 1 0 399.354 2.818 20 0 GFADRO O=C(NCc1cc(Br)ccc1OC(F)F)N[C@H]1CCC[NH2+]C1 ZINC000417411616 563879754 /nfs/dbraw/zinc/87/97/54/563879754.db2.gz TXLBLKXTHWWJEX-NSHDSACASA-N 1 0 378.217 2.602 20 0 GFADRO CO[C@H]1CCN(C(=O)NCC(C)(C)c2cccc(Br)c2)[C@@H](C[NH3+])C1 ZINC000417429080 563880272 /nfs/dbraw/zinc/88/02/72/563880272.db2.gz MRKOIBMSWOQJEI-CVEARBPZSA-N 1 0 398.345 2.874 20 0 GFADRO CCCC[C@H](C[NH3+])NC(=O)NCc1cc(OC)c(OC)cc1Br ZINC000417444484 563880461 /nfs/dbraw/zinc/88/04/61/563880461.db2.gz CWHMTEHUIPBGHK-GFCCVEGCSA-N 1 0 388.306 2.783 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)N[C@@H](C)CCCC[NH3+] ZINC000417478327 563880625 /nfs/dbraw/zinc/88/06/25/563880625.db2.gz DDZCXXASWQGFAF-ZDUSSCGKSA-N 1 0 399.333 2.903 20 0 GFADRO CN(CC(C)(C)C[NH3+])C(=O)N[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000417481432 563880887 /nfs/dbraw/zinc/88/08/87/563880887.db2.gz NYJINIXNHOMPLU-AWEZNQCLSA-N 1 0 383.334 2.654 20 0 GFADRO O=C(CCSc1nc2ccccc2s1)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000368883493 563880889 /nfs/dbraw/zinc/88/08/89/563880889.db2.gz BLFBYIFTUJFUAA-KGLIPLIRSA-N 1 0 377.535 2.758 20 0 GFADRO CC[C@@H]1Cc2c(Br)cccc2C[N@@H+]1CCCN1C(=O)CNC1=O ZINC000447402697 563881286 /nfs/dbraw/zinc/88/12/86/563881286.db2.gz AECQRZLSRBPHFH-CYBMUJFWSA-N 1 0 380.286 2.528 20 0 GFADRO C[NH+](C)Cc1ccsc1C(=O)N[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000447429279 563881770 /nfs/dbraw/zinc/88/17/70/563881770.db2.gz WKKIAGFCSLPXNO-CQSZACIVSA-N 1 0 377.897 2.998 20 0 GFADRO COCCN(CC[NH+](C)C)C(=O)Nc1cc(C)c(Br)c(F)c1 ZINC000417555979 563882669 /nfs/dbraw/zinc/88/26/69/563882669.db2.gz ZHTPLUBRIPEHAK-UHFFFAOYSA-N 1 0 376.270 2.939 20 0 GFADRO CC[C@H](CO)[NH+]1CCN(C(=O)Nc2cc(C)c(Br)c(F)c2)CC1 ZINC000417553526 563882716 /nfs/dbraw/zinc/88/27/16/563882716.db2.gz USIBWBNDRKMYHN-CYBMUJFWSA-N 1 0 388.281 2.817 20 0 GFADRO Cc1cc(C(=O)N[C@H]2CC[NH2+][C@H](C)C2)nn1-c1ccc(Br)cc1 ZINC000447512316 563882897 /nfs/dbraw/zinc/88/28/97/563882897.db2.gz PDIOSEWPDCPMPW-RISCZKNCSA-N 1 0 377.286 2.814 20 0 GFADRO COC(=O)c1coc([C@@H](C)[NH2+]CCNC(=O)c2ccc(Br)cc2)c1 ZINC000447537922 563883141 /nfs/dbraw/zinc/88/31/41/563883141.db2.gz ZNAONKNHOVWTPL-LLVKDONJSA-N 1 0 395.253 2.909 20 0 GFADRO COC(=O)c1cc(Br)cc(NC(=O)N2CC[C@@H](C[NH+](C)C)C2)c1C ZINC000417564573 563883233 /nfs/dbraw/zinc/88/32/33/563883233.db2.gz JCMQUEZNUSTHAX-LBPRGKRZSA-N 1 0 398.301 2.960 20 0 GFADRO COC[C@@H](O)C[N@@H+]1CCC[C@H]1c1nc(-c2cccc(Br)c2)no1 ZINC000368998849 563884017 /nfs/dbraw/zinc/88/40/17/563884017.db2.gz LSTKPJBYJDTTTO-KBPBESRZSA-N 1 0 382.258 2.643 20 0 GFADRO CCCC[C@@H](C[NH3+])NC(=O)NCc1nnc(-c2ccc(Br)cc2)[nH]1 ZINC000417722839 563887235 /nfs/dbraw/zinc/88/72/35/563887235.db2.gz GTAAIOTTZUPECZ-ZDUSSCGKSA-N 1 0 395.305 2.551 20 0 GFADRO [NH3+]CCCOC1CCN(C(=O)NCCc2ccc(Br)cc2)CC1 ZINC000417702220 563887265 /nfs/dbraw/zinc/88/72/65/563887265.db2.gz OTKKVZDUMVVUTO-UHFFFAOYSA-N 1 0 384.318 2.531 20 0 GFADRO CO[C@H]1CCN(C(=O)NCC2(c3ccccc3Br)CC2)[C@@H](C[NH3+])C1 ZINC000417724527 563887437 /nfs/dbraw/zinc/88/74/37/563887437.db2.gz DWCPDUYXXZNPPM-KGLIPLIRSA-N 1 0 396.329 2.628 20 0 GFADRO C[C@H](CCCC[NH3+])NC(=O)NCc1nnc(-c2ccc(Br)cc2)[nH]1 ZINC000417724023 563887632 /nfs/dbraw/zinc/88/76/32/563887632.db2.gz HVUREKDWPLBBGK-LLVKDONJSA-N 1 0 395.305 2.551 20 0 GFADRO [NH3+]C1CCC(NC(=O)NCCOc2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000417737359 563888124 /nfs/dbraw/zinc/88/81/24/563888124.db2.gz NQTHYPQQFQMFHG-UHFFFAOYSA-N 1 0 380.798 2.702 20 0 GFADRO CCC[NH+]1CCN(C2CCN(C(=O)c3ccc(Br)o3)CC2)CC1 ZINC000369154039 563888125 /nfs/dbraw/zinc/88/81/25/563888125.db2.gz GIOISNVNOGURAJ-UHFFFAOYSA-N 1 0 384.318 2.674 20 0 GFADRO C[C@H](C[NH+]1CCCCC1)NC(=O)N1CCC(n2cc(Br)cn2)CC1 ZINC000369149209 563888234 /nfs/dbraw/zinc/88/82/34/563888234.db2.gz DOYVOEQWHUTGAB-CQSZACIVSA-N 1 0 398.349 2.867 20 0 GFADRO C[NH+]1CCC2(CCCN(S(=O)(=O)c3c[nH]c4nccc(Cl)c34)C2)CC1 ZINC000369176315 563888673 /nfs/dbraw/zinc/88/86/73/563888673.db2.gz ZXOJQNXGXWPQQQ-UHFFFAOYSA-N 1 0 382.917 2.713 20 0 GFADRO C[C@H](C[NH+]1CCCCCC1)NS(=O)(=O)c1ccc(OC(F)F)c(F)c1 ZINC000447870216 563889064 /nfs/dbraw/zinc/88/90/64/563889064.db2.gz XPESCPLSBGENAX-GFCCVEGCSA-N 1 0 380.432 2.970 20 0 GFADRO C[NH2+]C[C@@H]1CCCN(C(=O)NC[C@H](C)Oc2ccccc2Br)C1 ZINC000417823960 563889719 /nfs/dbraw/zinc/88/97/19/563889719.db2.gz LHHXAAWIZRSURH-KBPBESRZSA-N 1 0 384.318 2.857 20 0 GFADRO C[C@H](NC(=O)NCCCC[NH3+])c1nc(-c2ccc(Br)cc2)no1 ZINC000417877813 563890356 /nfs/dbraw/zinc/89/03/56/563890356.db2.gz AGRRMNQUCLZMEO-JTQLQIEISA-N 1 0 382.262 2.598 20 0 GFADRO C[C@H](NC(=O)N[C@@H](C[NH3+])C1CC1)c1nc(-c2ccc(Br)cc2)no1 ZINC000417883012 563890378 /nfs/dbraw/zinc/89/03/78/563890378.db2.gz DXMICBDOHCHLPW-ZANVPECISA-N 1 0 394.273 2.597 20 0 GFADRO C[C@@H](NC(=O)N[C@@H](C)c1nc(-c2ccc(Br)cc2)no1)[C@H](C)[NH3+] ZINC000417879004 563890488 /nfs/dbraw/zinc/89/04/88/563890488.db2.gz AYKCMKLOQKOUSU-AEJSXWLSSA-N 1 0 382.262 2.595 20 0 GFADRO C[C@H](CC[NH3+])NC(=O)N[C@@H](C)c1nc(-c2ccc(Br)cc2)no1 ZINC000417884306 563890970 /nfs/dbraw/zinc/89/09/70/563890970.db2.gz FVNFBLSPCLYURJ-ZJUUUORDSA-N 1 0 382.262 2.597 20 0 GFADRO C[C@H](NC(=O)N1CC[NH2+][C@@H](C)C1)c1nc(-c2ccc(Br)cc2)no1 ZINC000417883055 563891091 /nfs/dbraw/zinc/89/10/91/563891091.db2.gz FCWQEZYNYMWBIW-QWRGUYRKSA-N 1 0 394.273 2.563 20 0 GFADRO C[C@@H](NC(=O)N1CCC[C@@H]([NH3+])C1)c1nc(-c2ccc(Br)cc2)no1 ZINC000417889449 563891111 /nfs/dbraw/zinc/89/11/11/563891111.db2.gz JPFZIHAVGQDYFV-ZWNOBZJWSA-N 1 0 394.273 2.693 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)NCC2(c3cccc(Br)c3)CCCC2)CCO1 ZINC000417917488 563891494 /nfs/dbraw/zinc/89/14/94/563891494.db2.gz WITWZOHNYVXPDV-INIZCTEOSA-N 1 0 396.329 2.630 20 0 GFADRO CC(C)(CNC(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1)c1ccccc1Br ZINC000417911467 563891654 /nfs/dbraw/zinc/89/16/54/563891654.db2.gz LWNUROVCZGCYCK-KGLIPLIRSA-N 1 0 380.330 2.978 20 0 GFADRO CC(=O)Nc1ccc(S(=O)(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)cc1Cl ZINC000447943360 563891935 /nfs/dbraw/zinc/89/19/35/563891935.db2.gz XJTRSKKKXDPHBH-INIZCTEOSA-N 1 0 387.933 2.697 20 0 GFADRO CCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(F)cc2I)C1 ZINC000417939855 563892083 /nfs/dbraw/zinc/89/20/83/563892083.db2.gz WSKXGYAQSJFHFK-GFCCVEGCSA-N 1 0 376.213 2.531 20 0 GFADRO COCC[NH2+]CCNC(=O)NCCc1csc(-c2ccc(Cl)cc2)n1 ZINC000417933874 563892230 /nfs/dbraw/zinc/89/22/30/563892230.db2.gz DXYRHTGLCCPYDP-UHFFFAOYSA-N 1 0 382.917 2.541 20 0 GFADRO CO[C@@H](c1ccc(Br)cc1)[C@H](C)NC(=O)N1CC[NH2+]C(C)(C)C1 ZINC000417991681 563894042 /nfs/dbraw/zinc/89/40/42/563894042.db2.gz SFUQIEOSEIOBRN-SWLSCSKDSA-N 1 0 384.318 2.919 20 0 GFADRO Cc1cc(Br)cn2cc(CNC(=O)N3CCC[C@H](CC[NH3+])C3)nc12 ZINC000417995339 563894376 /nfs/dbraw/zinc/89/43/76/563894376.db2.gz ASKHSPHKXNKVCO-CYBMUJFWSA-N 1 0 394.317 2.676 20 0 GFADRO C[NH2+]C[C@H]1CCCN1C(=O)NCCCc1ccc(Br)cc1OC ZINC000417999192 563894700 /nfs/dbraw/zinc/89/47/00/563894700.db2.gz HXOTZGNNOBUIJY-OAHLLOKOSA-N 1 0 384.318 2.784 20 0 GFADRO COc1cc(Br)ccc1CCCNC(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000418010437 563895026 /nfs/dbraw/zinc/89/50/26/563895026.db2.gz VTCKCMBIWBIXKM-SFHVURJKSA-N 1 0 396.329 2.785 20 0 GFADRO CC1(C)CN(C(=O)NCCc2c[nH]c3ccc(Br)cc23)CC[NH2+]1 ZINC000418009094 563895031 /nfs/dbraw/zinc/89/50/31/563895031.db2.gz UAPZEZKFGURKQG-UHFFFAOYSA-N 1 0 379.302 2.866 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)NCc1cc(Br)cc2c1OCC2 ZINC000418020398 563895557 /nfs/dbraw/zinc/89/55/57/563895557.db2.gz ZWVKAGPPLXPNNW-ABAIWWIYSA-N 1 0 382.302 2.795 20 0 GFADRO CCCOC[C@@H](Cc1cccc(Br)c1)NC(=O)NC[C@H]1CCC[NH2+]1 ZINC000418036527 563896410 /nfs/dbraw/zinc/89/64/10/563896410.db2.gz WHBPBXXDMWLAAZ-IAGOWNOFSA-N 1 0 398.345 2.838 20 0 GFADRO C[S@](=O)C1(C[NH2+]Cc2ccc(F)cc2I)CCC1 ZINC000418051269 563896868 /nfs/dbraw/zinc/89/68/68/563896868.db2.gz YBRWSYKYOMRYQU-SFHVURJKSA-N 1 0 381.254 2.821 20 0 GFADRO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NC(C)(C)COc1ncccc1Br ZINC000448462583 563897274 /nfs/dbraw/zinc/89/72/74/563897274.db2.gz VHJPLKLZILRPCS-BETUJISGSA-N 1 0 384.318 2.991 20 0 GFADRO CCn1c(CNC(=O)N2CCC(C[NH3+])CC2)nc2cc(Br)ccc21 ZINC000418067885 563897288 /nfs/dbraw/zinc/89/72/88/563897288.db2.gz PSPRSQNKKIKMBF-UHFFFAOYSA-N 1 0 394.317 2.699 20 0 GFADRO CCn1c(CNC(=O)N[C@H]2CCC[C@H]([NH3+])C2)nc2cc(Br)ccc21 ZINC000418067849 563897501 /nfs/dbraw/zinc/89/75/01/563897501.db2.gz PLAZBLJCORPYNJ-STQMWFEESA-N 1 0 394.317 2.888 20 0 GFADRO CCC([NH3+])(CC)CNC(=O)N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000418080717 563897781 /nfs/dbraw/zinc/89/77/81/563897781.db2.gz MVFKEQGDBHJDTA-ZDUSSCGKSA-N 1 0 387.311 2.915 20 0 GFADRO CO[C@@H]1COCC[C@@H]1C[NH2+]Cc1ccc(F)cc1I ZINC000418074147 563897805 /nfs/dbraw/zinc/89/78/05/563897805.db2.gz NDNQNCPJVIAWCG-BXUZGUMPSA-N 1 0 379.213 2.571 20 0 GFADRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)N[C@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O ZINC000418086217 563898215 /nfs/dbraw/zinc/89/82/15/563898215.db2.gz ZIRGFBMYOOWMNY-BPNCWPANSA-N 1 0 385.295 2.620 20 0 GFADRO C[C@@H](CCC[NH3+])NC(=O)NCc1ccc(Cl)cc1I ZINC000418091572 563898584 /nfs/dbraw/zinc/89/85/84/563898584.db2.gz PZHDKNHNFQVTMQ-VIFPVBQESA-N 1 0 395.672 2.871 20 0 GFADRO CC(C)[C@H]([NH3+])CNC(=O)NCc1ccc(Cl)cc1I ZINC000418090698 563898609 /nfs/dbraw/zinc/89/86/09/563898609.db2.gz OKZJDVBCQLBPNQ-GFCCVEGCSA-N 1 0 395.672 2.727 20 0 GFADRO CCCC[C@@H](C[NH3+])NC(=O)N[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000418096633 563898629 /nfs/dbraw/zinc/89/86/29/563898629.db2.gz KMNGLYYTNZLQGN-GJZGRUSLSA-N 1 0 383.334 2.845 20 0 GFADRO C[C@@H]1CN(C(=O)NCc2cnn(-c3ccc(Br)cc3)c2)[C@@H](C)C[NH2+]1 ZINC000418089816 563898652 /nfs/dbraw/zinc/89/86/52/563898652.db2.gz MTSNQCYALZUASA-OLZOCXBDSA-N 1 0 392.301 2.527 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)NCc2cnn(-c3ccc(Br)cc3)c2)C1 ZINC000418097464 563898972 /nfs/dbraw/zinc/89/89/72/563898972.db2.gz YOFBLCRPSBVDDN-OCCSQVGLSA-N 1 0 392.301 2.514 20 0 GFADRO O=C(N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000418106292 563899080 /nfs/dbraw/zinc/89/90/80/563899080.db2.gz CASLDONDQVVLON-GVAFMPQTSA-N 1 0 382.277 2.838 20 0 GFADRO COc1cc(C[NH2+]CC(C)(C)C2(O)CCOCC2)cc(Br)c1O ZINC000418111726 563899435 /nfs/dbraw/zinc/89/94/35/563899435.db2.gz AQMOHPCOPGCEQG-UHFFFAOYSA-N 1 0 388.302 2.821 20 0 GFADRO C[NH2+]CCCNC(=O)N[C@@H](C)CCc1ccc(I)cc1 ZINC000418119119 563899438 /nfs/dbraw/zinc/89/94/38/563899438.db2.gz XDBQEQFIFWEEIL-LBPRGKRZSA-N 1 0 389.281 2.521 20 0 GFADRO [NH3+]C1(CNC(=O)NCc2ccc(I)cc2Cl)CCC1 ZINC000418129740 563899586 /nfs/dbraw/zinc/89/95/86/563899586.db2.gz VEGIGMJKPBYMAK-UHFFFAOYSA-N 1 0 393.656 2.625 20 0 GFADRO Cc1cc(CNC(=O)N[C@@H](C[NH3+])CC(C)C)ccc1I ZINC000418145492 563899866 /nfs/dbraw/zinc/89/98/66/563899866.db2.gz YGFHDQGMNDXOSS-CYBMUJFWSA-N 1 0 389.281 2.772 20 0 GFADRO [NH3+]C1(CNC(=O)NCc2ccc(I)c(Cl)c2)CCC1 ZINC000418164612 563900427 /nfs/dbraw/zinc/90/04/27/563900427.db2.gz SAXLRSITVCZCLH-UHFFFAOYSA-N 1 0 393.656 2.625 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H](CNC(=O)N[C@@H]2COc3cc(F)c(Br)cc32)C1 ZINC000418151661 563900515 /nfs/dbraw/zinc/90/05/15/563900515.db2.gz HBBHMOCCVZGMCP-GPCCPHFNSA-N 1 0 386.265 2.838 20 0 GFADRO C[NH+](C)CCn1ccc(NC(=O)c2cc(Cl)c(Br)cc2F)n1 ZINC000448831367 563901986 /nfs/dbraw/zinc/90/19/86/563901986.db2.gz QQYHIIWOUROMGA-UHFFFAOYSA-N 1 0 389.656 3.252 20 0 GFADRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)Cc1sccc1Br ZINC000448913002 563903084 /nfs/dbraw/zinc/90/30/84/563903084.db2.gz RMNGSDPYGCBGNK-GFCCVEGCSA-N 1 0 375.332 2.622 20 0 GFADRO CS(=O)(=O)N1CCC([NH2+][C@@H]2CCc3c2ccc(F)c3Br)CC1 ZINC000449072397 563906478 /nfs/dbraw/zinc/90/64/78/563906478.db2.gz JZLMUZWYRVEGNA-CQSZACIVSA-N 1 0 391.306 2.589 20 0 GFADRO COCCC[NH+]1CCC(NCc2ccc(I)cc2)CC1 ZINC000449112852 563906921 /nfs/dbraw/zinc/90/69/21/563906921.db2.gz TXNNWLFPDQOFNG-UHFFFAOYSA-N 1 0 388.293 2.882 20 0 GFADRO Brc1cccc2c(C[NH2+]C[C@@H]3CN(C4CC4)CCO3)ccnc12 ZINC000449125220 563907066 /nfs/dbraw/zinc/90/70/66/563907066.db2.gz RANIYDPBMZZEQT-OAHLLOKOSA-N 1 0 376.298 2.950 20 0 GFADRO C[C@@H](C[NH2+]CCCNC(=O)c1cccs1)c1ccc(S(C)(=O)=O)cc1 ZINC000449141913 563907289 /nfs/dbraw/zinc/90/72/89/563907289.db2.gz ROGFMJWEVXDZHT-AWEZNQCLSA-N 1 0 380.535 2.665 20 0 GFADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+]C[C@]1(C)CCCO1 ZINC000449184910 563907631 /nfs/dbraw/zinc/90/76/31/563907631.db2.gz ARVMTWFBORTMIE-PXAZEXFGSA-N 1 0 385.302 2.621 20 0 GFADRO C[C@H](COc1ccc(Cl)c(Cl)c1)[NH2+]C[C@H]1CC[C@H](C(=O)N(C)C)O1 ZINC000449200739 563907649 /nfs/dbraw/zinc/90/76/49/563907649.db2.gz FHDSGTHYOBHULQ-AXAPSJFSSA-N 1 0 375.296 2.986 20 0 GFADRO COCCNC(=O)[C@H](CC(C)C)[NH2+]Cc1cc(F)cc(Br)c1 ZINC000449206746 563908191 /nfs/dbraw/zinc/90/81/91/563908191.db2.gz BENIASDUSFDKBN-HNNXBMFYSA-N 1 0 375.282 2.855 20 0 GFADRO NC(=O)C[C@H]([NH2+]Cc1ccnc2c(Br)cccc12)C1CCOCC1 ZINC000449237950 563908326 /nfs/dbraw/zinc/90/83/26/563908326.db2.gz DOLZNAXXFYELLC-INIZCTEOSA-N 1 0 392.297 2.758 20 0 GFADRO CC[C@H](Cc1ccccc1Br)[N@H+](C)Cc1cn(CC(=O)OC)nn1 ZINC000449255688 564177980 /nfs/dbraw/zinc/17/79/80/564177980.db2.gz GCJYBOZNTJSWRD-OAHLLOKOSA-N 1 0 395.301 2.667 20 0 GFADRO CCN(CCC[NH+](C)C)C(=O)[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000470838494 564178539 /nfs/dbraw/zinc/17/85/39/564178539.db2.gz AYVOVIMKZCWQFR-MRXNPFEDSA-N 1 0 396.329 2.602 20 0 GFADRO C[C@H](CC[NH2+][C@@H](C)c1ccc(S(=O)(=O)N2CCCCC2)cc1)[S@@](C)=O ZINC000537962709 564178654 /nfs/dbraw/zinc/17/86/54/564178654.db2.gz IFZMUCZTICHNPS-JRLRZGBRSA-N 1 0 386.583 2.669 20 0 GFADRO Cn1cc(N2CC[C@@H]([NH2+][C@H]3CCCc4ccc(Br)cc43)C2=O)cn1 ZINC000537971373 564178760 /nfs/dbraw/zinc/17/87/60/564178760.db2.gz LUIPSEJLABVQNM-DLBZAZTESA-N 1 0 389.297 2.955 20 0 GFADRO CS(=O)(=O)N[C@@H]1CCCC[C@H]1C[NH2+][C@H]1CCc2cc(F)c(F)c(F)c21 ZINC000449322255 564180552 /nfs/dbraw/zinc/18/05/52/564180552.db2.gz OPWZFLBCMQXKBL-YUTCNCBUSA-N 1 0 376.444 2.789 20 0 GFADRO C[C@H]1[C@H](C(F)(F)F)CC[N@@H+]1CCOc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000470946957 564180774 /nfs/dbraw/zinc/18/07/74/564180774.db2.gz HTKDJTDCLSDEQM-SWLSCSKDSA-N 1 0 380.432 2.588 20 0 GFADRO CN(Cc1cnc(-c2c(F)cccc2F)s1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000449335864 564181095 /nfs/dbraw/zinc/18/10/95/564181095.db2.gz KNQMOWRNYQKFJR-NSHDSACASA-N 1 0 387.477 2.554 20 0 GFADRO O=C(c1ccn(-c2ccc(Br)cc2)n1)N1CC[NH+]2CCC1CC2 ZINC000505405309 564182102 /nfs/dbraw/zinc/18/21/02/564182102.db2.gz UFCVTOFGEAELTQ-UHFFFAOYSA-N 1 0 375.270 2.555 20 0 GFADRO CC(C)[C@H]([NH2+]Cc1ccc(Cl)s1)C(=O)N(C)Cc1nnc2n1CCC2 ZINC000470998003 564183102 /nfs/dbraw/zinc/18/31/02/564183102.db2.gz VTEAREWFTWAFAR-INIZCTEOSA-N 1 0 381.933 2.712 20 0 GFADRO Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)[NH2+][C@@H]1CCN(S(C)(=O)=O)C1 ZINC000563262997 564183662 /nfs/dbraw/zinc/18/36/62/564183662.db2.gz CFHPFIAJCMVYAG-XHDPSFHLSA-N 1 0 383.514 2.942 20 0 GFADRO Cc1ccc(OCCC(=O)NCCN2CCOC(C)(C)C2)c(Br)c1 ZINC000505469673 564183938 /nfs/dbraw/zinc/18/39/38/564183938.db2.gz SUWZZIZZWVYPGN-UHFFFAOYSA-N 1 0 399.329 2.753 20 0 GFADRO OCCC[N@@H+]1CCC[C@H](NCc2cn(-c3ccc(Cl)cc3Cl)nn2)C1 ZINC000449398063 564184496 /nfs/dbraw/zinc/18/44/96/564184496.db2.gz SRULGCBYIQAKDA-AWEZNQCLSA-N 1 0 384.311 2.511 20 0 GFADRO COc1sc(C[N@@H+]2C[C@H](O)C[C@@H]2[C@@H]2CCCOC2)cc1Br ZINC000449432318 564185864 /nfs/dbraw/zinc/18/58/64/564185864.db2.gz GTSZPJIBQNXYTG-JTNHKYCSSA-N 1 0 376.316 2.881 20 0 GFADRO CC[C@@H](CNS(C)(=O)=O)[NH2+]Cc1cc(Br)c(Cl)s1 ZINC000449442118 564186788 /nfs/dbraw/zinc/18/67/88/564186788.db2.gz JPZQYJZEKJVXCX-ZETCQYMHSA-N 1 0 375.741 2.581 20 0 GFADRO CC[C@H](CNS(C)(=O)=O)[NH2+]CC1=Cc2cc(Cl)cc(Cl)c2OC1 ZINC000449443094 564186993 /nfs/dbraw/zinc/18/69/93/564186993.db2.gz PFAPWRAMRKZLEW-CYBMUJFWSA-N 1 0 379.309 2.687 20 0 GFADRO CO[C@H]1COCC[C@H]1C[NH2+]Cc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000449458667 564187686 /nfs/dbraw/zinc/18/76/86/564187686.db2.gz PKSVZPYSZCBFOJ-BBRMVZONSA-N 1 0 380.286 2.980 20 0 GFADRO CC[C@@](C)(C[NH2+]Cc1cc(Br)ccc1O[C@H](C)C(=O)NC)OC ZINC000449477057 564188317 /nfs/dbraw/zinc/18/83/17/564188317.db2.gz OIAHNZPCEMRQKO-PXAZEXFGSA-N 1 0 387.318 2.867 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)N1CC[C@H](C(F)(F)F)[C@@H](CO)C1)c1cccs1 ZINC000505704617 564188598 /nfs/dbraw/zinc/18/85/98/564188598.db2.gz FFSOLWDUJNMNDF-FRRDWIJNSA-N 1 0 379.448 2.553 20 0 GFADRO C[N@@H+]1CC[C@@H](C(=O)NCc2ccc(I)c(Cl)c2)C1 ZINC000563400199 564189201 /nfs/dbraw/zinc/18/92/01/564189201.db2.gz LEADVUUSBKGTGJ-SNVBAGLBSA-N 1 0 378.641 2.513 20 0 GFADRO CC[NH+](CC)CC[C@@H](CO)NC(=O)c1c[nH]c2cccc(Br)c21 ZINC000563392457 564189556 /nfs/dbraw/zinc/18/95/56/564189556.db2.gz LJMUXKUBHRNKTM-LBPRGKRZSA-N 1 0 382.302 2.753 20 0 GFADRO Cc1c(I)cccc1C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000471224395 564189927 /nfs/dbraw/zinc/18/99/27/564189927.db2.gz OJKXEXNOVFCPAX-GJZGRUSLSA-N 1 0 384.261 2.956 20 0 GFADRO C[C@@H]1CN(C(=O)c2nn(-c3ccc(F)cc3)cc2Br)[C@H](C)C[NH2+]1 ZINC000505844368 564191357 /nfs/dbraw/zinc/19/13/57/564191357.db2.gz FQBRKYJFULLGOE-GHMZBOCLSA-N 1 0 381.249 2.596 20 0 GFADRO CN(C(=O)c1c(F)cccc1I)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000471282204 564191670 /nfs/dbraw/zinc/19/16/70/564191670.db2.gz IAMFFBVGACOOHE-NSHDSACASA-N 1 0 388.224 2.739 20 0 GFADRO C[C@H]1CN(C(=O)c2ccc(I)cc2Cl)[C@@H](C)C[NH2+]1 ZINC000505896919 564192326 /nfs/dbraw/zinc/19/23/26/564192326.db2.gz XGCVANMZBFLLEH-IUCAKERBSA-N 1 0 378.641 2.767 20 0 GFADRO COc1cc(C)c(Br)cc1C(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000506010948 564193875 /nfs/dbraw/zinc/19/38/75/564193875.db2.gz WPKCMEMSCXHJAN-CQSZACIVSA-N 1 0 399.329 2.853 20 0 GFADRO Cc1c(Br)cccc1C[C@@H](CO)C[NH2+][C@H]1CCC(=O)NC1(C)C ZINC000449679738 564195489 /nfs/dbraw/zinc/19/54/89/564195489.db2.gz FGVHFUPIWRMFRV-CJNGLKHVSA-N 1 0 383.330 2.555 20 0 GFADRO Cc1c(Br)cccc1C[C@H](CO)C[NH2+][C@@H]1CN(C2CC2)C[C@@H]1C ZINC000449681214 564195576 /nfs/dbraw/zinc/19/55/76/564195576.db2.gz IMNHLRIRKFBWOL-ZUEVXXBESA-N 1 0 381.358 2.981 20 0 GFADRO Cc1c(Br)cccc1C[C@@H](CO)C[NH2+]Cc1ccc(C(N)=O)cc1 ZINC000449678660 564195851 /nfs/dbraw/zinc/19/58/51/564195851.db2.gz BNPUCSXGRAARMX-OAHLLOKOSA-N 1 0 391.309 2.797 20 0 GFADRO CC(=O)NC1CCC([NH2+]C[C@@H](CO)Cc2cccc(Br)c2C)CC1 ZINC000449681106 564195879 /nfs/dbraw/zinc/19/58/79/564195879.db2.gz HXOHZLGZGNSVAA-ZLPCBKJTSA-N 1 0 397.357 2.945 20 0 GFADRO COCCn1cc(C[NH2+]C[C@H](CO)Cc2cccc(Br)c2C)cn1 ZINC000449685299 564196748 /nfs/dbraw/zinc/19/67/48/564196748.db2.gz SAGPAEHCBNTULU-OAHLLOKOSA-N 1 0 396.329 2.541 20 0 GFADRO COc1cc(Cl)c(CN2CC[NH+]([C@@H]3CCNC(=O)CC3)CC2)cc1Cl ZINC000449694816 564196997 /nfs/dbraw/zinc/19/69/97/564196997.db2.gz HCBQYMCLYHUSQT-AWEZNQCLSA-N 1 0 386.323 2.788 20 0 GFADRO CC1(C)C[NH2+]CC[C@H]1NC(=O)c1[nH]nc(-c2ccccc2)c1Br ZINC000449701450 564197792 /nfs/dbraw/zinc/19/77/92/564197792.db2.gz WLMOTTRWGTYPIA-GFCCVEGCSA-N 1 0 377.286 2.957 20 0 GFADRO CC1(C)C[NH2+]CC[C@@H]1NC(=O)c1cc(F)c(F)cc1I ZINC000449708839 564197931 /nfs/dbraw/zinc/19/79/31/564197931.db2.gz WSHMGKILEFADLH-LBPRGKRZSA-N 1 0 394.203 2.687 20 0 GFADRO [NH3+]C[C@H]1CC[C@H](NC(=O)c2ccc(Cl)c(I)c2)C1 ZINC000449721608 564198717 /nfs/dbraw/zinc/19/87/17/564198717.db2.gz UHDVMXDVMRRWSF-WPRPVWTQSA-N 1 0 378.641 2.802 20 0 GFADRO COc1cc(C[NH2+]C[C@H](O)C2CCC2)cc(I)c1OC ZINC000449742376 564199345 /nfs/dbraw/zinc/19/93/45/564199345.db2.gz ZKSGZRNCDXLLDU-ZDUSSCGKSA-N 1 0 391.249 2.559 20 0 GFADRO CC(C)[N@@H+]1CCCN(C(=O)c2c(F)cccc2I)CC1 ZINC000471795175 564203834 /nfs/dbraw/zinc/20/38/34/564203834.db2.gz XYMFFJRVZZNNND-UHFFFAOYSA-N 1 0 390.240 2.987 20 0 GFADRO Cc1ccc(CC(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)c(Br)c1 ZINC000449896786 564207846 /nfs/dbraw/zinc/20/78/46/564207846.db2.gz LIIFIFPAEZNUSB-HNNXBMFYSA-N 1 0 395.341 2.917 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)c2ccccc2-n2cc(Br)cn2)CC[N@@H+]1C ZINC000449941128 564210067 /nfs/dbraw/zinc/21/00/67/564210067.db2.gz OWEVIUUMCBZSRM-OCCSQVGLSA-N 1 0 377.286 2.847 20 0 GFADRO COc1cc(Br)c(C(=O)N2CC[N@H+](C)C[C@H]2C(C)C)cc1OC ZINC000449959344 564210494 /nfs/dbraw/zinc/21/04/94/564210494.db2.gz LIRGVNMHAUBSCK-AWEZNQCLSA-N 1 0 385.302 2.879 20 0 GFADRO C[C@@H]1CN(C(=O)c2cc(I)ccc2Cl)C[C@H]1[NH+](C)C ZINC000472041277 564211094 /nfs/dbraw/zinc/21/10/94/564211094.db2.gz FCDAKXYGNVSKGF-NOZJJQNGSA-N 1 0 392.668 2.967 20 0 GFADRO Cc1[nH]c(=O)c(Br)cc1C(=O)N[C@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000506775112 564212110 /nfs/dbraw/zinc/21/21/10/564212110.db2.gz VWEUQRHXWRSTBY-GRYCIOLGSA-N 1 0 384.318 2.954 20 0 GFADRO CN(C(=O)c1ccccc1-n1cc(Br)cn1)[C@@H]1CCC[N@H+](C)C1 ZINC000449997936 564212539 /nfs/dbraw/zinc/21/25/39/564212539.db2.gz VZKOGHHRMILZQX-CQSZACIVSA-N 1 0 377.286 2.801 20 0 GFADRO CSc1nnc(CNC(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC000472193918 564215381 /nfs/dbraw/zinc/21/53/81/564215381.db2.gz VIRGCRAMEGUYNK-AWEZNQCLSA-N 1 0 377.539 2.581 20 0 GFADRO COC(=O)CC[N@@H+]1CCN(Cc2cc(Br)ccc2OC)[C@@H](C)C1 ZINC000539318684 564215869 /nfs/dbraw/zinc/21/58/69/564215869.db2.gz IXMKHGGESVCUII-ZDUSSCGKSA-N 1 0 385.302 2.527 20 0 GFADRO O[C@@H](C[NH2+]C1CCN(CC(F)F)CC1)COc1ccccc1Br ZINC000539397298 564218521 /nfs/dbraw/zinc/21/85/21/564218521.db2.gz XCBWVJSJKCGANG-ZDUSSCGKSA-N 1 0 393.272 2.508 20 0 GFADRO CC[NH+]1CCC(CNS(=O)(=O)c2cccc(Br)c2F)CC1 ZINC000564082738 564219517 /nfs/dbraw/zinc/21/95/17/564219517.db2.gz CXVALYNJWQAIOY-UHFFFAOYSA-N 1 0 379.295 2.598 20 0 GFADRO Brc1ccccc1-n1cc(CN2CC[NH+](CC3CC3)CC2)nn1 ZINC000564137235 564221613 /nfs/dbraw/zinc/22/16/13/564221613.db2.gz IXFGWWUPNPHSLY-UHFFFAOYSA-N 1 0 376.302 2.557 20 0 GFADRO Cc1ccc(Br)cc1CN1CCCC[C@@H]1CNS(C)(=O)=O ZINC000450251815 564223383 /nfs/dbraw/zinc/22/33/83/564223383.db2.gz DOKOEONSCUBQAJ-OAHLLOKOSA-N 1 0 375.332 2.661 20 0 GFADRO C[C@@H]([NH2+][C@@H](C)C(=O)NC[C@H]1CCS(=O)(=O)C1)c1cc(Cl)cc(Cl)c1 ZINC000539623864 564224481 /nfs/dbraw/zinc/22/44/81/564224481.db2.gz UQSONMVCUFLCKU-GRYCIOLGSA-N 1 0 393.336 2.583 20 0 GFADRO CS(=O)(=O)N1CCCC[C@H]1C[NH2+][C@@H]1CCc2c1cccc2Br ZINC000507250455 564224563 /nfs/dbraw/zinc/22/45/63/564224563.db2.gz AJEHYGYNPHAZOT-BLLLJJGKSA-N 1 0 387.343 2.840 20 0 GFADRO CS(=O)(=O)C1(C[NH2+]C[C@H](O)COc2cc(Cl)ccc2Cl)CCCC1 ZINC000564202818 564224691 /nfs/dbraw/zinc/22/46/91/564224691.db2.gz BNTSYVIMKCIORP-ZDUSSCGKSA-N 1 0 396.336 2.680 20 0 GFADRO C[NH+](C)[C@@H](CNc1cc(Br)cnc1C(N)=O)Cc1ccccc1 ZINC000472503757 564225450 /nfs/dbraw/zinc/22/54/50/564225450.db2.gz TUBNWCSJJCVUOG-CQSZACIVSA-N 1 0 377.286 2.528 20 0 GFADRO CC[N@@H+]1CCC[C@@H](CNC(=O)NCc2cc(OC)ccc2Br)C1 ZINC000507381137 564227154 /nfs/dbraw/zinc/22/71/54/564227154.db2.gz RTXPXZXFJVIWQU-ZDUSSCGKSA-N 1 0 384.318 2.989 20 0 GFADRO CCN1CCN(C(=O)C(=O)Nc2cc(Cl)cc(C(F)(F)F)c2)[C@H](C)C1 ZINC000507421275 564228608 /nfs/dbraw/zinc/22/86/08/564228608.db2.gz LIFKWZKRVXOVCE-SNVBAGLBSA-N 1 0 377.794 2.850 20 0 GFADRO Cc1cc(Br)cc(C)c1CNC(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000564320479 564228791 /nfs/dbraw/zinc/22/87/91/564228791.db2.gz NUQJCSSCUOHNQV-CQSZACIVSA-N 1 0 392.301 2.512 20 0 GFADRO C[C@]1(CO)CCC[C@@H]1[NH2+]Cc1csc(-c2ccc(S(C)(=O)=O)cc2)n1 ZINC000472619833 564229832 /nfs/dbraw/zinc/22/98/32/564229832.db2.gz SKDPNXAODLCRIN-FUHWJXTLSA-N 1 0 380.535 2.854 20 0 GFADRO C[NH+](C)Cc1ccc(S(=O)(=O)NCc2coc(-c3cccs3)n2)cc1 ZINC000472692383 564231005 /nfs/dbraw/zinc/23/10/05/564231005.db2.gz MJXVFNMIUBYGQX-UHFFFAOYSA-N 1 0 377.491 2.943 20 0 GFADRO Cc1cc(Br)ccc1S(=O)(=O)NCCC[NH+]1CCCCC1 ZINC000472678104 564231016 /nfs/dbraw/zinc/23/10/16/564231016.db2.gz NYXJRHBRRNXHCT-UHFFFAOYSA-N 1 0 375.332 2.912 20 0 GFADRO C[C@@H](O)CC[NH+]1CCC(Oc2ccccc2I)CC1 ZINC000450471667 564234382 /nfs/dbraw/zinc/23/43/82/564234382.db2.gz VGOXBVBFEMKHJS-GFCCVEGCSA-N 1 0 375.250 2.905 20 0 GFADRO C[C@H](O)CC[NH+]1CCC(Oc2ccccc2I)CC1 ZINC000450471668 564234836 /nfs/dbraw/zinc/23/48/36/564234836.db2.gz VGOXBVBFEMKHJS-LBPRGKRZSA-N 1 0 375.250 2.905 20 0 GFADRO COc1nc(N2CC[NH+](C[C@@H]3CCC(F)(F)C3)CC2)ncc1Br ZINC000450476143 564234918 /nfs/dbraw/zinc/23/49/18/564234918.db2.gz NFMPAOZGKLYGST-LLVKDONJSA-N 1 0 391.260 2.805 20 0 GFADRO C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)c1ccccc1-n1cc(Br)cn1 ZINC000450541621 564237610 /nfs/dbraw/zinc/23/76/10/564237610.db2.gz RKJRLVYKONFUCF-CHWSQXEVSA-N 1 0 377.286 2.799 20 0 GFADRO Cc1ccc(Br)cc1CN1CC[C@H](S(=O)(=O)NC(C)C)C1 ZINC000450580931 564239514 /nfs/dbraw/zinc/23/95/14/564239514.db2.gz DHOSKDFKPVOEBG-HNNXBMFYSA-N 1 0 375.332 2.660 20 0 GFADRO O=C([C@@H]1C[C@]12CCc1cc(Br)ccc12)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000564568442 564239907 /nfs/dbraw/zinc/23/99/07/564239907.db2.gz RSQUAGKRNBPMHL-GNSPCKGOSA-N 1 0 375.310 2.721 20 0 GFADRO CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2sccc2C)c1 ZINC000540170471 564240702 /nfs/dbraw/zinc/24/07/02/564240702.db2.gz YTOKNFRSLXIRKC-OLZOCXBDSA-N 1 0 381.523 2.642 20 0 GFADRO CCNC(=O)N1CC[C@H]([NH2+][C@@H](C)c2ccccc2I)C1 ZINC000540157909 564241036 /nfs/dbraw/zinc/24/10/36/564241036.db2.gz MNEOJQRZNLSXCU-RYUDHWBXSA-N 1 0 387.265 2.746 20 0 GFADRO C[C@H]([NH2+]CCS(=O)(=O)NC[C@@H]1CCCCO1)c1ccc(Cl)c(F)c1 ZINC000540183528 564241121 /nfs/dbraw/zinc/24/11/21/564241121.db2.gz ZXEHNOOOZKSKCJ-JSGCOSHPSA-N 1 0 378.897 2.618 20 0 GFADRO O=S1(=O)CCC(C[NH2+][C@H]2CCc3c2cc(Br)cc3F)CC1 ZINC000540151593 564241191 /nfs/dbraw/zinc/24/11/91/564241191.db2.gz STQSNWVVEDADSR-HNNXBMFYSA-N 1 0 376.291 2.990 20 0 GFADRO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]C[C@@H](O)C1CCOCC1 ZINC000540181320 564241277 /nfs/dbraw/zinc/24/12/77/564241277.db2.gz FVLQLERNBFJGID-MLGOLLRUSA-N 1 0 385.302 2.543 20 0 GFADRO CS(=O)(=O)N1CCC[C@@H]([NH2+][C@H]2CCc3ccc(OC(F)(F)F)cc32)C1 ZINC000540193428 564241911 /nfs/dbraw/zinc/24/19/11/564241911.db2.gz HTMYZWBZBODTMZ-DOMZBBRYSA-N 1 0 378.416 2.586 20 0 GFADRO CSC1(CNC(=O)N[C@@H](C)c2ccc([S@](C)=O)cc2)CC[NH+](C)CC1 ZINC000564618982 564242103 /nfs/dbraw/zinc/24/21/03/564242103.db2.gz CAACCXWOJBVUCW-SXBQZSJRSA-N 1 0 383.583 2.612 20 0 GFADRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)C(=O)NCc2cccc(Cl)c2Cl)C1 ZINC000564673847 564244628 /nfs/dbraw/zinc/24/46/28/564244628.db2.gz YCACJCWEFRYWCC-HIFRSBDPSA-N 1 0 384.307 2.552 20 0 GFADRO COCCOC[C@H](O)C[NH2+][C@@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000450766292 564246893 /nfs/dbraw/zinc/24/68/93/564246893.db2.gz ZGEZVDQUEXKPEB-HZPDHXFCSA-N 1 0 376.266 2.653 20 0 GFADRO C[C@@H]1CC[N@H+](CC(=O)NCc2ccc(Cl)cc2I)C1 ZINC000564736532 564247013 /nfs/dbraw/zinc/24/70/13/564247013.db2.gz MTSCWTZFLJDFOC-SNVBAGLBSA-N 1 0 392.668 2.903 20 0 GFADRO Cn1cc(Br)cc1-c1nnc(N2CC[C@@H]([NH+]3CCCCC3)C2)n1C ZINC000507979079 564249872 /nfs/dbraw/zinc/24/98/72/564249872.db2.gz DDYZRYPVTNYWJE-CQSZACIVSA-N 1 0 393.333 2.648 20 0 GFADRO Cc1cc(N2CC[C@@H](NC(=O)C3([NH3+])CCCCC3)C2=O)ccc1Br ZINC000564837848 564251594 /nfs/dbraw/zinc/25/15/94/564251594.db2.gz ZJQHXKFRAJZVAQ-OAHLLOKOSA-N 1 0 394.313 2.641 20 0 GFADRO C[C@H](NC(=O)c1cn(-c2ccc(Br)cc2)cn1)[C@@H]1CCC[NH2+]C1 ZINC000564837501 564251837 /nfs/dbraw/zinc/25/18/37/564251837.db2.gz PUKWIYVVRWMIPE-QWHCGFSZSA-N 1 0 377.286 2.753 20 0 GFADRO C[C@H]([NH2+]C[C@H]1CS(=O)(=O)CCO1)c1cc2cc(Br)ccc2o1 ZINC000540609404 564252186 /nfs/dbraw/zinc/25/21/86/564252186.db2.gz SEAKECSAWBUXLT-GWCFXTLKSA-N 1 0 388.283 2.660 20 0 GFADRO C[C@@H]1CN(C[C@H](O)C[NH2+]CC2(c3ccccc3Br)CC2)C[C@@H](C)O1 ZINC000564855317 564252537 /nfs/dbraw/zinc/25/25/37/564252537.db2.gz QOEORSOUVJHQRL-BZUAXINKSA-N 1 0 397.357 2.540 20 0 GFADRO O=S1(=O)CCCN1CC[N@H+]1CCCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000540589180 564252570 /nfs/dbraw/zinc/25/25/70/564252570.db2.gz QMAWKZWJSLZFAT-UHFFFAOYSA-N 1 0 392.352 2.541 20 0 GFADRO Cc1ccc(Br)cc1CC(=O)N1CCC([N@@H+](C)C[C@@H](C)O)CC1 ZINC000450958266 564256705 /nfs/dbraw/zinc/25/67/05/564256705.db2.gz IYHIPTXXSLTUCZ-CQSZACIVSA-N 1 0 383.330 2.604 20 0 GFADRO O=C(c1ccc(I)cc1)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000564942151 564258264 /nfs/dbraw/zinc/25/82/64/564258264.db2.gz ITUFJSLIUIYATL-KBPBESRZSA-N 1 0 384.261 2.753 20 0 GFADRO C[C@H](Oc1ccc(Cl)cc1Br)C(=O)N[C@H](CC[NH3+])C(F)F ZINC000564957318 564259299 /nfs/dbraw/zinc/25/92/99/564259299.db2.gz ATCYQZRQFZPZKD-OIBJUYFYSA-N 1 0 385.636 2.969 20 0 GFADRO C[NH2+]C[C@H]1CCN(S(=O)(=O)c2ccc3ccccc3c2Br)C1 ZINC000564958026 564259389 /nfs/dbraw/zinc/25/93/89/564259389.db2.gz KBBDZUKBRKBQNO-GFCCVEGCSA-N 1 0 383.311 2.832 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)[C@H]1CCCCC[NH2+]1 ZINC000564985980 564260717 /nfs/dbraw/zinc/26/07/17/564260717.db2.gz YXWYHKQJHLQAGY-OAHLLOKOSA-N 1 0 382.302 2.735 20 0 GFADRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)CNC(=O)c1ccc(Cl)c(Cl)c1 ZINC000508312436 564261236 /nfs/dbraw/zinc/26/12/36/564261236.db2.gz FMIJFWJFVYJUCQ-STQMWFEESA-N 1 0 386.323 2.960 20 0 GFADRO O=S(=O)(c1cc(Br)ccc1Cl)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000564970462 564261355 /nfs/dbraw/zinc/26/13/55/564261355.db2.gz KDSAVKOURCRDNI-AWEZNQCLSA-N 1 0 393.734 2.867 20 0 GFADRO COc1cc(C)c(Br)cc1NC(=O)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O ZINC000564994004 564262146 /nfs/dbraw/zinc/26/21/46/564262146.db2.gz HLUWGCOXCMXOAD-YOGCLGLASA-N 1 0 381.270 2.519 20 0 GFADRO CN(CCC[NH+]1CCCC1)C(=O)c1ccc(I)c(O)c1 ZINC000508398416 564262453 /nfs/dbraw/zinc/26/24/53/564262453.db2.gz BFNAKEANJRLSPL-UHFFFAOYSA-N 1 0 388.249 2.555 20 0 GFADRO CCC[C@@H]([NH2+]C(C)C)C(=O)NC[C@@H](CO)Cc1ccccc1Br ZINC000508578201 564266497 /nfs/dbraw/zinc/26/64/97/564266497.db2.gz OMMHSFMNKABCFU-WMLDXEAASA-N 1 0 385.346 2.883 20 0 GFADRO C[C@@H]([NH2+]C[C@@H]1CCNC(=O)CC1)c1ccc(Br)cc1OCCCO ZINC000451047622 564266579 /nfs/dbraw/zinc/26/65/79/564266579.db2.gz CQKUQQTVHNQERB-KGLIPLIRSA-N 1 0 399.329 2.777 20 0 GFADRO CCC[C@H]([NH2+]C(C)C)C(=O)NC[C@H](CO)Cc1ccccc1Br ZINC000508578199 564267050 /nfs/dbraw/zinc/26/70/50/564267050.db2.gz OMMHSFMNKABCFU-PBHICJAKSA-N 1 0 385.346 2.883 20 0 GFADRO COCC[NH2+]C1CCN(C(=O)CCc2ccc(Br)c(C)c2)CC1 ZINC000565148750 564267623 /nfs/dbraw/zinc/26/76/23/564267623.db2.gz HFEAXWDMQZLIPP-UHFFFAOYSA-N 1 0 383.330 2.917 20 0 GFADRO O=S(=O)(C[C@H]1CCCC1(F)F)NCC1([NH+]2CCSCC2)CCCC1 ZINC000451049734 564267737 /nfs/dbraw/zinc/26/77/37/564267737.db2.gz NZADDJPTLUZEGD-CQSZACIVSA-N 1 0 382.542 2.703 20 0 GFADRO COc1ccc(Br)c(-c2nnc(N3CC[NH+](C(C)C)CC3)n2C)c1 ZINC000508589456 564267802 /nfs/dbraw/zinc/26/78/02/564267802.db2.gz FHGZUYFNOYCEJM-UHFFFAOYSA-N 1 0 394.317 2.784 20 0 GFADRO Cc1c2cccc(Br)c2oc1C(=O)N[C@H](C)CN1CC[NH+](C)CC1 ZINC000541152373 564267791 /nfs/dbraw/zinc/26/77/91/564267791.db2.gz VMJUIJKWFICQCE-GFCCVEGCSA-N 1 0 394.313 2.869 20 0 GFADRO Cn1c(-c2ccc(Br)cc2)nnc1N1CC[NH+](CC2CC2)CC1 ZINC000508610464 564267875 /nfs/dbraw/zinc/26/78/75/564267875.db2.gz HEYNNJYVKUIYRP-UHFFFAOYSA-N 1 0 376.302 2.777 20 0 GFADRO COCC[NH2+]C1CCN(C(=O)CCc2cc(F)ccc2Br)CC1 ZINC000565149436 564267984 /nfs/dbraw/zinc/26/79/84/564267984.db2.gz PSUYKXWBLLEDAM-UHFFFAOYSA-N 1 0 387.293 2.748 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1cc(I)ccc1F ZINC000474184142 564268852 /nfs/dbraw/zinc/26/88/52/564268852.db2.gz VRRKLIWGRHWNRG-KGLIPLIRSA-N 1 0 388.224 2.787 20 0 GFADRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)c1cc(I)ccc1F ZINC000474184144 564268898 /nfs/dbraw/zinc/26/88/98/564268898.db2.gz VRRKLIWGRHWNRG-UONOGXRCSA-N 1 0 388.224 2.787 20 0 GFADRO C[C@H]1CC[N@H+](C)CCN1C(=O)N[C@@H]1COc2cc(F)c(Br)cc21 ZINC000508652227 564269278 /nfs/dbraw/zinc/26/92/78/564269278.db2.gz PRAPDFJCHVEXCL-IINYFYTJSA-N 1 0 386.265 2.757 20 0 GFADRO COC(=O)COc1ccc(C[NH2+][C@H](CO)c2ccc(Br)cc2)cc1 ZINC000541215372 564269708 /nfs/dbraw/zinc/26/97/08/564269708.db2.gz XVJVRRWVOLYNIS-QGZVFWFLSA-N 1 0 394.265 2.824 20 0 GFADRO Cc1ccc(CC(=O)N2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)cc1Br ZINC000474200023 564269745 /nfs/dbraw/zinc/26/97/45/564269745.db2.gz SZFQXQFUCKYPPF-AWEZNQCLSA-N 1 0 383.330 2.604 20 0 GFADRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)c1cc(F)c(F)cc1Br ZINC000474218068 564270443 /nfs/dbraw/zinc/27/04/43/564270443.db2.gz YZNKKXXZILCBNA-SNVBAGLBSA-N 1 0 391.256 2.645 20 0 GFADRO C[C@@H]1CN(C[C@@H](O)COc2cccc(Br)c2)CC[N@@H+](C2CC2)C1 ZINC000451081465 564271844 /nfs/dbraw/zinc/27/18/44/564271844.db2.gz MMWSWUBXFMRAHC-RHSMWYFYSA-N 1 0 383.330 2.605 20 0 GFADRO C[NH+](C)C[C@H]1CCN(Cc2c(F)ccc(I)c2F)C1 ZINC000474262243 564272100 /nfs/dbraw/zinc/27/21/00/564272100.db2.gz AVXHUJGUGBXILW-SNVBAGLBSA-N 1 0 380.220 2.953 20 0 GFADRO C[C@@H]1CN(C[C@H](O)COc2cccc(Br)c2)CC[N@@H+](C2CC2)C1 ZINC000451081464 564272331 /nfs/dbraw/zinc/27/23/31/564272331.db2.gz MMWSWUBXFMRAHC-PBHICJAKSA-N 1 0 383.330 2.605 20 0 GFADRO CC(C)(C)CC[C@H](CO)[NH2+]CCS(=O)(=O)c1cccc(Br)c1 ZINC000565302379 564274743 /nfs/dbraw/zinc/27/47/43/564274743.db2.gz DDFGFTUVRNDFKT-CQSZACIVSA-N 1 0 392.359 3.000 20 0 GFADRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N[C@@H](C)c1ncc(Br)cn1 ZINC000565340730 564276523 /nfs/dbraw/zinc/27/65/23/564276523.db2.gz AIBYOBZHZKJWAZ-GXTWGEPZSA-N 1 0 384.322 2.864 20 0 GFADRO COCCN(C)C[C@H](O)C[NH2+][C@H](c1ccc(Br)cc1)C1CCC1 ZINC000565370280 564277552 /nfs/dbraw/zinc/27/75/52/564277552.db2.gz PFRSRKXGSBAERB-MSOLQXFVSA-N 1 0 385.346 2.819 20 0 GFADRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)c1cn2cc(Cl)cc(Cl)c2n1 ZINC000508985623 564277978 /nfs/dbraw/zinc/27/79/78/564277978.db2.gz QHRTUOSGQZCLFP-ZDUSSCGKSA-N 1 0 385.295 2.824 20 0 GFADRO CCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cc(Br)c(C)cc1C ZINC000508996959 564279001 /nfs/dbraw/zinc/27/90/01/564279001.db2.gz KKTKXUKYMCZQTL-AWEZNQCLSA-N 1 0 396.329 2.995 20 0 GFADRO C[C@H](CCc1ccc(I)cc1)[NH2+]CCNC(=O)C1CC1 ZINC000474468348 564279654 /nfs/dbraw/zinc/27/96/54/564279654.db2.gz MVAABMPQZKXBRD-GFCCVEGCSA-N 1 0 386.277 2.728 20 0 GFADRO CN(CC[N@H+](C)C1CC1)C(=O)c1cnc(Sc2nccn2C)c(Cl)c1 ZINC000474554701 564281313 /nfs/dbraw/zinc/28/13/13/564281313.db2.gz GCFKTTSZUFCBOS-UHFFFAOYSA-N 1 0 379.917 2.786 20 0 GFADRO CN(CC[N@H+](C)C1CC1)C(=O)c1cc(F)ccc1I ZINC000474560016 564281540 /nfs/dbraw/zinc/28/15/40/564281540.db2.gz RIIVGJSZKYPPKY-UHFFFAOYSA-N 1 0 376.213 2.597 20 0 GFADRO C[C@@H]1C[NH+](CC2CCN(S(=O)(=O)c3sccc3Cl)CC2)C[C@@H](C)O1 ZINC000451159218 564281921 /nfs/dbraw/zinc/28/19/21/564281921.db2.gz PKWXDBFJABOBDW-CHWSQXEVSA-N 1 0 392.974 2.911 20 0 GFADRO C[N@H+](CCO)Cc1cc(NCc2cccc(S(C)(=O)=O)c2)ccc1Cl ZINC000451172744 564282214 /nfs/dbraw/zinc/28/22/14/564282214.db2.gz XGJADEZSZNCMNS-UHFFFAOYSA-N 1 0 382.913 2.780 20 0 GFADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNCc1c(F)cccc1Br ZINC000474604770 564282215 /nfs/dbraw/zinc/28/22/15/564282215.db2.gz YRMCIFHGKAOGJP-INIZCTEOSA-N 1 0 386.309 2.621 20 0 GFADRO COC[C@H](C)CS(=O)(=O)N(CC[NH+]1CCCC1)Cc1ccc(Cl)cc1 ZINC000474584108 564282487 /nfs/dbraw/zinc/28/24/87/564282487.db2.gz GDGWCVGWFGVXDX-INIZCTEOSA-N 1 0 388.961 2.850 20 0 GFADRO CN(CC1([NH+](C)C)CCC1)C(=O)c1cc(I)ccc1F ZINC000474615351 564283641 /nfs/dbraw/zinc/28/36/41/564283641.db2.gz FVSXXTUVRRUWBD-UHFFFAOYSA-N 1 0 390.240 2.987 20 0 GFADRO C[NH+](C)CCn1ccc(C(=O)NCCc2cc(Cl)ccc2Br)n1 ZINC000565494021 564283846 /nfs/dbraw/zinc/28/38/46/564283846.db2.gz XLFRBDOCOFIDCF-UHFFFAOYSA-N 1 0 399.720 2.833 20 0 GFADRO O=S(=O)(CC1CC(F)(F)C1)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000451186520 564284197 /nfs/dbraw/zinc/28/41/97/564284197.db2.gz BTBLUQVWDJOICB-UHFFFAOYSA-N 1 0 382.542 2.703 20 0 GFADRO C[C@@H](CCc1ccc(I)cc1)[NH2+]C[C@H]1COCCO1 ZINC000474628052 564284399 /nfs/dbraw/zinc/28/43/99/564284399.db2.gz IBPBGRLOQACHNG-WFASDCNBSA-N 1 0 375.250 2.617 20 0 GFADRO O=C(NCC[N@H+]1CC=CCC1)N[C@H]1CCOc2c(Br)cccc21 ZINC000565610752 564288512 /nfs/dbraw/zinc/28/85/12/564288512.db2.gz QLGLMBZVNBVDDJ-HNNXBMFYSA-N 1 0 380.286 2.834 20 0 GFADRO C[NH+](C)C[C@H](NC(=O)c1cc[nH]c(=O)c1Br)c1ccc(F)cc1 ZINC000565678475 564291393 /nfs/dbraw/zinc/29/13/93/564291393.db2.gz NJGFTGIWXXCUBE-ZDUSSCGKSA-N 1 0 382.233 2.722 20 0 GFADRO C[C@@H]([NH2+]CCNS(=O)(=O)c1cccnc1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000474874727 564291721 /nfs/dbraw/zinc/29/17/21/564291721.db2.gz ZAMWLZVYXMNQNG-KWCYVHTRSA-N 1 0 385.942 2.857 20 0 GFADRO Cc1nc2ccc(Br)cn2c1C(=O)NCC[NH+]1CCC(C)CC1 ZINC000474903465 564292710 /nfs/dbraw/zinc/29/27/10/564292710.db2.gz VXKKTHARLDFWFX-UHFFFAOYSA-N 1 0 379.302 2.867 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CN(C)S(=O)(=O)Cc1ccc(Br)c(F)c1 ZINC000451270481 564293907 /nfs/dbraw/zinc/29/39/07/564293907.db2.gz SCCXQOHLNWLFPO-ZDUSSCGKSA-N 1 0 393.322 2.834 20 0 GFADRO CC(C)[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000509339149 564294034 /nfs/dbraw/zinc/29/40/34/564294034.db2.gz AQHJRDGOKNENTL-XJKCOSOUSA-N 1 0 383.945 2.899 20 0 GFADRO CCN(CCO)CC[NH2+][C@H](C)CCc1ccc(I)cc1 ZINC000474936856 564294434 /nfs/dbraw/zinc/29/44/34/564294434.db2.gz YHSRHJAUVOAWNJ-CQSZACIVSA-N 1 0 390.309 2.516 20 0 GFADRO O=C(CC[C@H]1CC[NH2+]C1)NCc1ccc(I)c(Cl)c1 ZINC000565773618 564295028 /nfs/dbraw/zinc/29/50/28/564295028.db2.gz RXQIWCLPYTVCOA-JTQLQIEISA-N 1 0 392.668 2.951 20 0 GFADRO Cc1c(Br)cccc1S(=O)(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000565833435 564297536 /nfs/dbraw/zinc/29/75/36/564297536.db2.gz DARSBMCVICANFI-KBPBESRZSA-N 1 0 387.343 2.768 20 0 GFADRO COC(=O)c1cccc(OCC[NH2+][C@@H](CO)c2ccc(Br)cc2)c1 ZINC000541981561 564297474 /nfs/dbraw/zinc/29/74/74/564297474.db2.gz RPPLXBMFGBXSJZ-KRWDZBQOSA-N 1 0 394.265 2.938 20 0 GFADRO O=C(N[C@H]1C[NH2+]CCC1(F)F)N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 ZINC000565822603 564297690 /nfs/dbraw/zinc/29/76/90/564297690.db2.gz CCQIVGCIMCWPHC-KBPBESRZSA-N 1 0 377.794 2.559 20 0 GFADRO C[C@@H]1C[C@@H](C[NH2+]CCS(=O)(=O)c2cccc(Br)c2)CCO1 ZINC000565828648 564297815 /nfs/dbraw/zinc/29/78/15/564297815.db2.gz XUBIDDJSCTZZAS-OLZOCXBDSA-N 1 0 376.316 2.628 20 0 GFADRO C[C@@H]1CN(Cc2nc(Cc3cccc(Br)c3)no2)[C@@H](C)C[N@@H+]1C ZINC000509433378 564299410 /nfs/dbraw/zinc/29/94/10/564299410.db2.gz UNFHQBZMYTUTKA-OLZOCXBDSA-N 1 0 379.302 2.947 20 0 GFADRO COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000509461855 564300502 /nfs/dbraw/zinc/30/05/02/564300502.db2.gz FNQAGTQUMSDEIE-MWLCHTKSSA-N 1 0 395.308 2.541 20 0 GFADRO CCOC(=O)C1(C[NH2+]Cc2ccc(Br)cc2N2CCOCC2)CC1 ZINC000475103736 564300823 /nfs/dbraw/zinc/30/08/23/564300823.db2.gz MNILSKKZCBUILA-UHFFFAOYSA-N 1 0 397.313 2.719 20 0 GFADRO FC(F)Oc1ccc(C[NH2+][C@@H]2CCc3nnnn3CC2)cc1Br ZINC000565885579 564300962 /nfs/dbraw/zinc/30/09/62/564300962.db2.gz TUOMJBBQZXDBJH-SNVBAGLBSA-N 1 0 388.216 2.532 20 0 GFADRO CC(C)[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl ZINC000475159210 564302342 /nfs/dbraw/zinc/30/23/42/564302342.db2.gz WVYYOECHXBIXDT-DZGCQCFKSA-N 1 0 387.933 2.730 20 0 GFADRO COc1cccc(C[C@@H](C)[NH2+]CCNC(=O)c2ccc(Br)cc2)n1 ZINC000542142110 564302573 /nfs/dbraw/zinc/30/25/73/564302573.db2.gz LSSCAJIXXDHIOD-CYBMUJFWSA-N 1 0 392.297 2.803 20 0 GFADRO COC[C@@]1(C(=O)OC)CC[N@H+](Cc2nc3ccc(Br)cc3o2)C1 ZINC000451341531 564302740 /nfs/dbraw/zinc/30/27/40/564302740.db2.gz LZRIKRBFXIRCKP-MRXNPFEDSA-N 1 0 383.242 2.602 20 0 GFADRO OC[C@H]([NH2+]Cc1ccc(OC(F)(F)F)c(Br)c1)[C@H]1CCCO1 ZINC000475225619 564303761 /nfs/dbraw/zinc/30/37/61/564303761.db2.gz WKIYFUKDXLRKQU-WCQYABFASA-N 1 0 384.192 2.977 20 0 GFADRO COCCN(CC[NH+](C)C)C(=O)N[C@@H]1C[C@H]1c1ccc(Br)s1 ZINC000475364780 564306790 /nfs/dbraw/zinc/30/67/90/564306790.db2.gz HIMRPGOUYYNUSR-VXGBXAGGSA-N 1 0 390.347 2.586 20 0 GFADRO O=C(C1CC[NH+]([C@@H]2CCSC2)CC1)N1CCC[C@](O)(C(F)(F)F)CC1 ZINC000566018714 564307047 /nfs/dbraw/zinc/30/70/47/564307047.db2.gz MLMCENRVCZLJBI-GDBMZVCRSA-N 1 0 380.476 2.510 20 0 GFADRO COc1cccc(C[C@@H](C)[NH2+][C@H](C(N)=O)c2cccc(Br)c2)n1 ZINC000475438216 564308389 /nfs/dbraw/zinc/30/83/89/564308389.db2.gz FSALZGZOLFGONE-BZNIZROVSA-N 1 0 378.270 2.600 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H](CNC(=O)c2cnn(-c3ccc(Br)cc3)c2)C1 ZINC000566102762 564309677 /nfs/dbraw/zinc/30/96/77/564309677.db2.gz OQCPGCAEIPESGW-IUODEOHRSA-N 1 0 377.286 2.882 20 0 GFADRO O[C@H](C[NH2+][C@@H]1CCC[C@H]2OCC[C@H]21)COc1cc(F)cc(Br)c1 ZINC000566114467 564310402 /nfs/dbraw/zinc/31/04/02/564310402.db2.gz IDRMBZKPVNECFL-XLNGHYISSA-N 1 0 388.277 2.875 20 0 GFADRO CC(C)(C)N1C[C@@H]([NH2+]C[C@H](O)COc2ccc(Cl)cc2Cl)CC1=O ZINC000566111100 564310607 /nfs/dbraw/zinc/31/06/07/564310607.db2.gz XYVAQPLAEIKICX-STQMWFEESA-N 1 0 375.296 2.722 20 0 GFADRO Cc1ccc(NC(=O)[C@@H](C)N2CC[C@H](c3nnc[nH]3)C2)c(Br)c1 ZINC000566138169 564311575 /nfs/dbraw/zinc/31/15/75/564311575.db2.gz COSMFTPEUUNXSK-NEPJUHHUSA-N 1 0 378.274 2.692 20 0 GFADRO O=C1[C@H]([NH2+]C[C@@H](O)Cc2ccccc2)CCN1c1cccc(Br)c1 ZINC000566124388 564311835 /nfs/dbraw/zinc/31/18/35/564311835.db2.gz JUJNHPIONVFOPS-ZWKOTPCHSA-N 1 0 389.293 2.748 20 0 GFADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)NCC[C@@H]1CCOC1 ZINC000542449142 564312983 /nfs/dbraw/zinc/31/29/83/564312983.db2.gz DEDGIGJEMFGPFA-MRXNPFEDSA-N 1 0 398.345 2.949 20 0 GFADRO Cc1ccc(CN(CC[NH+](C)C)S(=O)(=O)c2ccc3ncsc3c2)o1 ZINC000475585182 564313544 /nfs/dbraw/zinc/31/35/44/564313544.db2.gz JQVWDEJSTNVQAM-UHFFFAOYSA-N 1 0 379.507 2.950 20 0 GFADRO Cc1cccc(NC(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)c1Br ZINC000509794326 564313775 /nfs/dbraw/zinc/31/37/75/564313775.db2.gz UIAIPRSCRUVBML-DZGCQCFKSA-N 1 0 394.313 2.781 20 0 GFADRO COc1ccccc1[C@@H](CNc1cc(Br)cnc1C(N)=O)[NH+](C)C ZINC000542467918 564315670 /nfs/dbraw/zinc/31/56/70/564315670.db2.gz CSORBZYDJUFSGC-CQSZACIVSA-N 1 0 393.285 2.666 20 0 GFADRO O=S(=O)(c1ccc(C(F)(F)F)c(F)c1)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000566224055 564316835 /nfs/dbraw/zinc/31/68/35/564316835.db2.gz FUHJSGHRXSEAKE-VXGBXAGGSA-N 1 0 380.407 2.855 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCc2cccc(Br)c2)CC1 ZINC000566211216 564317602 /nfs/dbraw/zinc/31/76/02/564317602.db2.gz HBRIRVMHEKAIKJ-AEFFLSMTSA-N 1 0 381.314 2.737 20 0 GFADRO C[C@@H]1C[C@H](C[NH3+])CN1S(=O)(=O)c1ccc2ccccc2c1Br ZINC000566224907 564317813 /nfs/dbraw/zinc/31/78/13/564317813.db2.gz JYVKFQUQXUAVEO-VXGBXAGGSA-N 1 0 383.311 2.960 20 0 GFADRO Cc1cc(S(=O)(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)sc1Br ZINC000566224357 564317944 /nfs/dbraw/zinc/31/79/44/564317944.db2.gz LKNJFLRFMAKWOL-NEPJUHHUSA-N 1 0 393.372 2.829 20 0 GFADRO C[C@@H]1C[C@@H](C(=O)Nc2ccc(CN3CC[NH+](C)CC3)c(Br)c2)CO1 ZINC000475755109 564318547 /nfs/dbraw/zinc/31/85/47/564318547.db2.gz GKPXYDXYAAXZOZ-UKRRQHHQSA-N 1 0 396.329 2.560 20 0 GFADRO CC[C@]1(C(=O)NCc2nc(-c3cccc(Br)c3)no2)CCC[NH2+]1 ZINC000566249895 564318891 /nfs/dbraw/zinc/31/88/91/564318891.db2.gz RYCZKDRLYTUCGX-MRXNPFEDSA-N 1 0 379.258 2.648 20 0 GFADRO CO[C@@H]1C[C@@H]([NH2+]CCS(=O)(=O)c2cccc(Br)c2)C1(C)C ZINC000451513074 564320915 /nfs/dbraw/zinc/32/09/15/564320915.db2.gz YKAVNZNFJDNHIH-ZIAGYGMSSA-N 1 0 376.316 2.626 20 0 GFADRO COc1cc(C[NH2+]Cc2ccc3c(c2)C(=O)NCC3)cc(Br)c1O ZINC000542717100 564322792 /nfs/dbraw/zinc/32/27/92/564322792.db2.gz CDDGKWMXEAGUCN-UHFFFAOYSA-N 1 0 391.265 2.739 20 0 GFADRO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)N[C@H](CCO)c1ccccc1Br ZINC000542894454 564330625 /nfs/dbraw/zinc/33/06/25/564330625.db2.gz PVCIGKWNFWDTTJ-CXAGYDPISA-N 1 0 396.329 2.656 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(Cc3nc(Cc4cccc(Br)c4)no3)C[C@@H]21 ZINC000451629644 564333136 /nfs/dbraw/zinc/33/31/36/564333136.db2.gz KPUOFSGZYFQDKM-HIFRSBDPSA-N 1 0 377.286 2.559 20 0 GFADRO Cc1nc2ccc(Br)cn2c1C(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000476304220 564334441 /nfs/dbraw/zinc/33/44/41/564334441.db2.gz XZSZETZUOUMYHC-GWCFXTLKSA-N 1 0 377.286 2.760 20 0 GFADRO COC(=O)c1ccccc1OCC[NH2+][C@H](CO)c1ccc(Br)cc1 ZINC000542976926 564334460 /nfs/dbraw/zinc/33/44/60/564334460.db2.gz RNTOVDDMGPWWQF-MRXNPFEDSA-N 1 0 394.265 2.938 20 0 GFADRO C[N@H+](CCNC(=O)C(=O)c1ccc(Br)cc1)Cc1ccccc1 ZINC000510499597 564335653 /nfs/dbraw/zinc/33/56/53/564335653.db2.gz HCVOPNQRCJMSLW-UHFFFAOYSA-N 1 0 375.266 2.880 20 0 GFADRO C[C@@H](NC(=O)CN1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1)c1ccc(Cl)cc1Cl ZINC000451652554 564336488 /nfs/dbraw/zinc/33/64/88/564336488.db2.gz JYHKFZKLRXLVJH-HZSPNIEDSA-N 1 0 388.339 2.558 20 0 GFADRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1S(=O)(=O)N(C)Cc1c(F)cccc1Cl ZINC000510518828 564336495 /nfs/dbraw/zinc/33/64/95/564336495.db2.gz QTWPRTNJVBQUOG-KGLIPLIRSA-N 1 0 389.924 2.714 20 0 GFADRO C[C@@H]1CN(C[C@H](O)C[NH2+]Cc2cc(Cl)cc(Br)c2)C[C@@H](C)O1 ZINC000566673966 564337980 /nfs/dbraw/zinc/33/79/80/564337980.db2.gz JTEVDXYEKJYHNH-XHBSWPGZSA-N 1 0 391.737 2.662 20 0 GFADRO CC[NH+](CC)[C@@H](CNS(=O)(=O)CCC(F)(F)F)c1cccc(OC)c1 ZINC000566693739 564338381 /nfs/dbraw/zinc/33/83/81/564338381.db2.gz VVIFRTFUMXKBGA-HNNXBMFYSA-N 1 0 382.448 2.950 20 0 GFADRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1S(=O)(=O)c1cc(Br)ccc1F ZINC000510554954 564338397 /nfs/dbraw/zinc/33/83/97/564338397.db2.gz SPCFAWJFAVSBHO-AAEUAGOBSA-N 1 0 391.306 2.836 20 0 GFADRO O=S(=O)(CC[NH2+]C1CC(c2cccc(Cl)c2)C1)NC[C@@H]1CCCCO1 ZINC000543106584 564338440 /nfs/dbraw/zinc/33/84/40/564338440.db2.gz BHPYRCCRILNWFZ-VJFUWPCTSA-N 1 0 386.945 2.664 20 0 GFADRO [NH3+]CC[C@@H](NC(=O)Cc1csc(Cc2ccc(F)cc2)n1)C(F)(F)F ZINC000566738155 564340931 /nfs/dbraw/zinc/34/09/31/564340931.db2.gz NAGCJNQIWNYFGV-CYBMUJFWSA-N 1 0 375.391 2.811 20 0 GFADRO CN(C)C(=O)[C@H]1CCCN1CCC[NH2+][C@@H]1CCc2ccc(Br)cc21 ZINC000510656936 564342017 /nfs/dbraw/zinc/34/20/17/564342017.db2.gz NQIIJHBIAWKJFF-QZTJIDSGSA-N 1 0 394.357 2.969 20 0 GFADRO C[C@@H](CCc1ccc(C(F)(F)F)cc1)[NH2+]CC1(O)CCS(=O)(=O)CC1 ZINC000510698152 564344168 /nfs/dbraw/zinc/34/41/68/564344168.db2.gz DZNZVTTUWYNLJL-ZDUSSCGKSA-N 1 0 379.444 2.556 20 0 GFADRO CC[C@@H]1C[N@H+](C)CCCN1S(=O)(=O)Cc1ccccc1Br ZINC000566823020 564344593 /nfs/dbraw/zinc/34/45/93/564344593.db2.gz CEVONJQYYFUGLR-CQSZACIVSA-N 1 0 375.332 2.695 20 0 GFADRO Cc1cc(OCCC[C@H](C)[NH2+]C[C@H]2CS(=O)(=O)CCO2)ccc1Cl ZINC000510746009 564345780 /nfs/dbraw/zinc/34/57/80/564345780.db2.gz BKENGQKZLPLRJY-HOCLYGCPSA-N 1 0 375.918 2.599 20 0 GFADRO CCn1c2cc(Br)ccc2nc1NC(=O)C[NH2+]C[C@H]1CCCO1 ZINC000566853594 564346609 /nfs/dbraw/zinc/34/66/09/564346609.db2.gz FCSYGYLUJUTSGZ-GFCCVEGCSA-N 1 0 381.274 2.526 20 0 GFADRO Cc1cc(N2C[C@H](C(=O)NC(C)(C)CCC[NH3+])CC2=O)ccc1Br ZINC000566909740 564348848 /nfs/dbraw/zinc/34/88/48/564348848.db2.gz SETKWQOHKRSURV-CYBMUJFWSA-N 1 0 396.329 2.744 20 0 GFADRO O=C(Cc1cscc1Br)N1CC[C@@H](OCC[NH+]2CCCC2)C1 ZINC000476678152 564351333 /nfs/dbraw/zinc/35/13/33/564351333.db2.gz REWKZEUAIYPONA-CQSZACIVSA-N 1 0 387.343 2.766 20 0 GFADRO CC(C)[NH2+]C1(CO)CCN(C[C@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000567059178 564355611 /nfs/dbraw/zinc/35/56/11/564355611.db2.gz QOTAEUDREYQCBH-HNNXBMFYSA-N 1 0 391.339 2.558 20 0 GFADRO C[C@H](c1ccc(OC(F)F)cc1)[N@@H+]1CCC[C@H](CN(C)S(C)(=O)=O)C1 ZINC000511082621 564356757 /nfs/dbraw/zinc/35/67/57/564356757.db2.gz TXDYNVUPFLGGTG-ZIAGYGMSSA-N 1 0 376.469 2.952 20 0 GFADRO CCS(=O)(=O)N1CCC(C[NH2+]Cc2cc(Br)cs2)CC1 ZINC000543636493 564357486 /nfs/dbraw/zinc/35/74/86/564357486.db2.gz BAHYCYANPUSUJE-UHFFFAOYSA-N 1 0 381.361 2.662 20 0 GFADRO CN(C)S(=O)(=O)[C@@H]1CCCN(Cc2ccc(Br)c(Cl)c2)C1 ZINC000511111409 564357691 /nfs/dbraw/zinc/35/76/91/564357691.db2.gz YNEGERSXOCFMDP-GFCCVEGCSA-N 1 0 395.750 2.958 20 0 GFADRO O=S(=O)(CC[NH2+]C1CC(c2ccccc2Cl)C1)NC[C@@H]1CCCCO1 ZINC000511161234 564360556 /nfs/dbraw/zinc/36/05/56/564360556.db2.gz XAVZVGNKXSWCEQ-GPANFISMSA-N 1 0 386.945 2.664 20 0 GFADRO O=C(NCC1CC[NH+](CCO)CC1)C1(Cc2ccccc2Br)CC1 ZINC000477011382 564361792 /nfs/dbraw/zinc/36/17/92/564361792.db2.gz XUZCKDFANKTSHX-UHFFFAOYSA-N 1 0 395.341 2.592 20 0 GFADRO O[C@H](COc1cc(Cl)ccc1Cl)C[N@@H+]1CC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000451882491 564362745 /nfs/dbraw/zinc/36/27/45/564362745.db2.gz CEGYEEMBHXKCLK-PUYPPJJSSA-N 1 0 388.213 2.978 20 0 GFADRO CC[C@H]([NH2+]C[C@@H](O)COc1ccccc1C(F)(F)F)[C@H](O)C(F)(F)F ZINC000567235601 564362838 /nfs/dbraw/zinc/36/28/38/564362838.db2.gz RBBFYNSCFQLTJI-CDMKHQONSA-N 1 0 375.309 2.737 20 0 GFADRO CC(=O)Nc1cc(F)c(S(=O)(=O)NC(C)(C)CCC[NH+](C)C)cc1Cl ZINC000451897744 564363570 /nfs/dbraw/zinc/36/35/70/564363570.db2.gz WNRWLLGUFHBIRT-UHFFFAOYSA-N 1 0 393.912 2.836 20 0 GFADRO CC[NH+](CC)CCN(CC(C)C)C(=O)NCCn1cc(Br)cn1 ZINC000511251892 564363957 /nfs/dbraw/zinc/36/39/57/564363957.db2.gz VZKXKDLQMYUKLE-UHFFFAOYSA-N 1 0 388.354 2.655 20 0 GFADRO C[C@@H](NC(=O)N1CCN(Cc2ccc(Cl)s2)CC1)C1=CC[N@H+](C)CC1 ZINC000511273039 564364939 /nfs/dbraw/zinc/36/49/39/564364939.db2.gz LBJODSRJYRTHBE-CQSZACIVSA-N 1 0 382.961 2.879 20 0 GFADRO CC[NH+]1CCC(N(C)S(=O)(=O)c2cccc(Br)c2F)CC1 ZINC000544032750 564371385 /nfs/dbraw/zinc/37/13/85/564371385.db2.gz KJKPMRUYFPNCHN-UHFFFAOYSA-N 1 0 379.295 2.693 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc(F)c(I)c1 ZINC000477314969 564373439 /nfs/dbraw/zinc/37/34/39/564373439.db2.gz BGTVHWVVXLXTMG-KGLIPLIRSA-N 1 0 388.224 2.787 20 0 GFADRO O=C(Nc1cc(Cl)cc(C(F)(F)F)c1)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000477328242 564373549 /nfs/dbraw/zinc/37/35/49/564373549.db2.gz GCDMOPRLOJRNMC-NSHDSACASA-N 1 0 375.778 2.650 20 0 GFADRO COCCNC(=O)[C@H]1CC[C@H](C)[N@H+](Cc2cc(F)ccc2Br)C1 ZINC000511498363 564373756 /nfs/dbraw/zinc/37/37/56/564373756.db2.gz YNKNZWKYRUSRMZ-STQMWFEESA-N 1 0 387.293 2.951 20 0 GFADRO COCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](Cc2cc(O)ccc2Br)C1 ZINC000511507211 564374139 /nfs/dbraw/zinc/37/41/39/564374139.db2.gz KLMZRBOCMRVNLG-CHWSQXEVSA-N 1 0 385.302 2.518 20 0 GFADRO Cc1cc(C)c(C[NH2+]C[C@@H](O)COc2ccc(Br)cc2)c(=O)[nH]1 ZINC000567533105 564375787 /nfs/dbraw/zinc/37/57/87/564375787.db2.gz SVKRFVPMWTYLNC-CQSZACIVSA-N 1 0 381.270 2.696 20 0 GFADRO [NH3+]C[C@H]1CN(Cc2cc(Br)cc3c2OCC3)CC12CCOCC2 ZINC000567588635 564378216 /nfs/dbraw/zinc/37/82/16/564378216.db2.gz DIOBCHDLUWDCMB-HNNXBMFYSA-N 1 0 381.314 2.571 20 0 GFADRO [NH3+]C[C@@H]1CN(Cc2cc(Br)cc3c2OCC3)CC12CCOCC2 ZINC000567588636 564378474 /nfs/dbraw/zinc/37/84/74/564378474.db2.gz DIOBCHDLUWDCMB-OAHLLOKOSA-N 1 0 381.314 2.571 20 0 GFADRO Cc1cc(Br)ccc1S(=O)(=O)N[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000477515806 564379732 /nfs/dbraw/zinc/37/97/32/564379732.db2.gz INWWEGSUUPLWOL-AWEZNQCLSA-N 1 0 375.332 2.909 20 0 GFADRO CN(C)C(=O)N[C@H]1CCC[N@H+](CCC(=O)Nc2ccccc2Br)C1 ZINC000452007431 564380110 /nfs/dbraw/zinc/38/01/10/564380110.db2.gz HIRIPZZUWPIKNA-ZDUSSCGKSA-N 1 0 397.317 2.513 20 0 GFADRO C[C@@H](NCCc1ccc(S(=O)(=O)N2CCCCC2)s1)[C@H]1CCCC[NH2+]1 ZINC000567641204 564381535 /nfs/dbraw/zinc/38/15/35/564381535.db2.gz MYMQAWUCGLZKNJ-NVXWUHKLSA-N 1 0 385.599 2.585 20 0 GFADRO CN(C)Cc1cnc(C[NH2+]C[C@H]2CSCCN2Cc2ccccc2)s1 ZINC000511775018 564381884 /nfs/dbraw/zinc/38/18/84/564381884.db2.gz FQNSYUFRPDKLGX-KRWDZBQOSA-N 1 0 376.595 2.912 20 0 GFADRO COC(=O)[C@H](c1cc(Cl)cc(Cl)c1)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000477767287 564386598 /nfs/dbraw/zinc/38/65/98/564386598.db2.gz VICOFFMAPYUPBN-GUYCJALGSA-N 1 0 387.307 2.862 20 0 GFADRO CC[C@@H](NC(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1ccc(Cl)s1 ZINC000512024989 564389311 /nfs/dbraw/zinc/38/93/11/564389311.db2.gz GLDGKUDITLFFFX-CHWSQXEVSA-N 1 0 386.949 2.739 20 0 GFADRO [NH3+]C[C@H](C(=O)N1CCOc2ccc(Br)cc2C1)c1ccccc1 ZINC000567822661 564391004 /nfs/dbraw/zinc/39/10/04/564391004.db2.gz JBDUMIBWXJLDRL-INIZCTEOSA-N 1 0 375.266 2.913 20 0 GFADRO CC(C)(CN1CCCC1)[NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000452097402 564391747 /nfs/dbraw/zinc/39/17/47/564391747.db2.gz QUHYWPQRNCTYSZ-OAHLLOKOSA-N 1 0 389.309 2.792 20 0 GFADRO CCOc1c(Br)cc(C(=O)N[C@H]2C[NH2+]CCC2(F)F)cc1OC ZINC000567845770 564391792 /nfs/dbraw/zinc/39/17/92/564391792.db2.gz GKQASVLUWUHGQN-LBPRGKRZSA-N 1 0 393.228 2.583 20 0 GFADRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NCc1ncc(I)s1 ZINC000512117531 564392265 /nfs/dbraw/zinc/39/22/65/564392265.db2.gz WYLOTXMHZQPUDJ-QWRGUYRKSA-N 1 0 379.311 2.958 20 0 GFADRO Cc1cccc(I)c1C(=O)N[C@@H](C)C1=CC[N@H+](C)CC1 ZINC000512141792 564392602 /nfs/dbraw/zinc/39/26/02/564392602.db2.gz CDKVZTQSWQYMIX-LBPRGKRZSA-N 1 0 384.261 2.980 20 0 GFADRO CC(C)[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2cc(Br)c(F)cc2F)C1 ZINC000452102713 564392841 /nfs/dbraw/zinc/39/28/41/564392841.db2.gz JAXJZRZXANVBTQ-JTQLQIEISA-N 1 0 397.285 2.831 20 0 GFADRO CCCCNC(=O)NC(=O)C[NH2+][C@H](CCO)c1ccc(Cl)c(Cl)c1 ZINC000512165801 564393573 /nfs/dbraw/zinc/39/35/73/564393573.db2.gz QYWALYARJRGCIM-CQSZACIVSA-N 1 0 376.284 2.632 20 0 GFADRO C[NH2+][C@H](CC(C)(C)C)C(=O)N[C@H](C(=O)OC)c1ccc(Br)cc1 ZINC000567890390 564394641 /nfs/dbraw/zinc/39/46/41/564394641.db2.gz CGNHWFUGNLPYHH-KGLIPLIRSA-N 1 0 385.302 2.804 20 0 GFADRO C[N@@H+]1CC[C@@]2(CCN(C(=O)c3ccccc3-n3cc(Br)cn3)C2)C1 ZINC000452126326 564394674 /nfs/dbraw/zinc/39/46/74/564394674.db2.gz QNIXMAZDSOHVSJ-GOSISDBHSA-N 1 0 389.297 2.803 20 0 GFADRO C[C@@H]1C[N@H+](CCO)CCN1Cc1coc(-c2ccc(Br)cc2)n1 ZINC000452117098 564394855 /nfs/dbraw/zinc/39/48/55/564394855.db2.gz NQBOFCTXVMUUAZ-CYBMUJFWSA-N 1 0 380.286 2.603 20 0 GFADRO C[NH+](C)CCN(Cc1cccs1)S(=O)(=O)c1ccc(Br)o1 ZINC000544722285 564396559 /nfs/dbraw/zinc/39/65/59/564396559.db2.gz VAPNCGZKJXQBNI-UHFFFAOYSA-N 1 0 393.328 2.856 20 0 GFADRO CCC[C@]1([NH2+]C[C@@H](O)COc2cc(F)cc(Br)c2)CCOC1 ZINC000512287889 564397219 /nfs/dbraw/zinc/39/72/19/564397219.db2.gz WIATWNXOVHEPRG-ZBFHGGJFSA-N 1 0 376.266 2.877 20 0 GFADRO C[C@@H](Sc1ccccc1C(=O)NC[C@@H](c1cccs1)[NH+](C)C)C(N)=O ZINC000512314568 564397496 /nfs/dbraw/zinc/39/74/96/564397496.db2.gz HLWSHLPQIHCQGQ-OCCSQVGLSA-N 1 0 377.535 2.747 20 0 GFADRO CCCC[N@H+](C)CCNC(=O)COc1ccc(Br)cc1C(C)=O ZINC000512319711 564398114 /nfs/dbraw/zinc/39/81/14/564398114.db2.gz LQONNQKVAGAIQX-UHFFFAOYSA-N 1 0 385.302 2.879 20 0 GFADRO O=C(CCCOc1ccccc1Br)N[C@@H](CO)C[NH+]1CCCCC1 ZINC000512383890 564399578 /nfs/dbraw/zinc/39/95/78/564399578.db2.gz GUACRBODUGENBY-OAHLLOKOSA-N 1 0 399.329 2.571 20 0 GFADRO CS(=O)(=O)N1CC[C@H]([NH2+][C@H]2CCSc3ccc(Br)cc32)C1 ZINC000568043468 564402678 /nfs/dbraw/zinc/40/26/78/564402678.db2.gz KCBQOLWKHZRELR-AAEUAGOBSA-N 1 0 391.356 2.610 20 0 GFADRO CCC[N@H+](C)CC(=O)N[C@H](CO)c1ccc(Br)cc1C(F)(F)F ZINC000478432106 564402783 /nfs/dbraw/zinc/40/27/83/564402783.db2.gz PDOACBAWHHQBBO-CYBMUJFWSA-N 1 0 397.235 2.959 20 0 GFADRO CN1CC[NH2+]C[C@@H]1CNC(=O)N[C@H](c1ccsc1)c1ccc(Cl)cc1 ZINC000568057948 564403310 /nfs/dbraw/zinc/40/33/10/564403310.db2.gz GLRPCKKTSBLXTB-SJORKVTESA-N 1 0 378.929 2.694 20 0 GFADRO COc1ccc(C[N@@H+]2CCCC[C@H]2[C@@H]2CNC(=O)C2)c(Br)c1O ZINC000544928320 564404607 /nfs/dbraw/zinc/40/46/07/564404607.db2.gz XKKXUMPHSPWSGC-STQMWFEESA-N 1 0 383.286 2.654 20 0 GFADRO Cc1cc(CCC(=O)NC[C@@H]2CCC[N@@H+]2CCCO)ccc1Br ZINC000452356525 564407973 /nfs/dbraw/zinc/40/79/73/564407973.db2.gz DARIKWRKSLSYHT-INIZCTEOSA-N 1 0 383.330 2.653 20 0 GFADRO Cc1cc(Br)oc1C(=O)N1CCC(n2ncc3c2C[NH2+]C3)CC1 ZINC000568253939 564410951 /nfs/dbraw/zinc/41/09/51/564410951.db2.gz PLEWZQFKPBPTNS-UHFFFAOYSA-N 1 0 379.258 2.628 20 0 GFADRO Cc1ccc(CCC(=O)N[C@@H]2CCC[N@H+](CCCO)C2)c(Br)c1 ZINC000452379672 564411082 /nfs/dbraw/zinc/41/10/82/564411082.db2.gz CVJAIYHWTUJSNK-MRXNPFEDSA-N 1 0 383.330 2.653 20 0 GFADRO C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)NC[C@H]1CCCC[N@@H+]1CCO ZINC000452396184 564412694 /nfs/dbraw/zinc/41/26/94/564412694.db2.gz XYDCUJLVDBFCFY-QWHCGFSZSA-N 1 0 375.296 2.724 20 0 GFADRO CC(=O)N1CC([NH2+][C@H](C)CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000568295253 564413307 /nfs/dbraw/zinc/41/33/07/564413307.db2.gz VAVOAVMCYFVSLT-SECBINFHSA-N 1 0 377.794 2.896 20 0 GFADRO C[C@@H]1CN(C(=O)Nc2ccc(I)cc2F)[C@H](C)C[NH2+]1 ZINC000568296330 564413361 /nfs/dbraw/zinc/41/33/61/564413361.db2.gz GKTVHESTIZSQQJ-RKDXNWHRSA-N 1 0 377.201 2.644 20 0 GFADRO Cc1ccc(-c2ncc(C[NH2+]C[C@H]3CCCC[C@@H]3NS(C)(=O)=O)s2)o1 ZINC000512849239 564413736 /nfs/dbraw/zinc/41/37/36/564413736.db2.gz CHZLCOQWWHOWGL-HIFRSBDPSA-N 1 0 383.539 2.909 20 0 GFADRO CCC[N@@H+]1CC[C@H](CNCc2cn(-c3ccccc3Br)nn2)C1 ZINC000568332544 564415013 /nfs/dbraw/zinc/41/50/13/564415013.db2.gz CWIPAMBEPRUHQW-CQSZACIVSA-N 1 0 378.318 2.851 20 0 GFADRO CN(C)CC[N@H+](C)CCCNC(=O)c1cc(Cl)ccc1Br ZINC000568338461 564415059 /nfs/dbraw/zinc/41/50/59/564415059.db2.gz JVPNCVYTYXDDSX-UHFFFAOYSA-N 1 0 376.726 2.716 20 0 GFADRO CS(=O)(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccc(OC(F)F)c(Cl)c1 ZINC000512997726 564416775 /nfs/dbraw/zinc/41/67/75/564416775.db2.gz QPBYUXYCUKTQQQ-GFCCVEGCSA-N 1 0 382.860 2.845 20 0 GFADRO CC[NH+](CC)CC[C@@H](CO)NC(=O)c1ccc(Cl)cc1Br ZINC000568409774 564417646 /nfs/dbraw/zinc/41/76/46/564417646.db2.gz RDASVKYUEFPNJP-LBPRGKRZSA-N 1 0 377.710 2.925 20 0 GFADRO CC[NH+]1CCN(c2ccc(CNC(=O)Cc3ccc(Cl)s3)cn2)CC1 ZINC000513043389 564418940 /nfs/dbraw/zinc/41/89/40/564418940.db2.gz AJWIARRQDSIWQI-UHFFFAOYSA-N 1 0 378.929 2.797 20 0 GFADRO C[N@H+](CC(=O)N[C@H](CCO)c1cccc(C(F)(F)F)c1)[C@@H]1CCSC1 ZINC000452533033 564419061 /nfs/dbraw/zinc/41/90/61/564419061.db2.gz LMPPJUBCBKQNKU-HUUCEWRRSA-N 1 0 376.444 2.682 20 0 GFADRO O=S(=O)(C1CC1)N1CCC[C@@H]([NH2+]Cc2cc(Br)ccc2F)C1 ZINC000513096568 564419840 /nfs/dbraw/zinc/41/98/40/564419840.db2.gz WBUJAKJMGRDOAE-CYBMUJFWSA-N 1 0 391.306 2.634 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000478966872 564420907 /nfs/dbraw/zinc/42/09/07/564420907.db2.gz UVBDZISKRMQZHS-CABCVRRESA-N 1 0 396.329 2.939 20 0 GFADRO C[C@H](CNC(=O)c1ncc(Br)cc1Br)[NH+]1CCCC1 ZINC000545449990 564423633 /nfs/dbraw/zinc/42/36/33/564423633.db2.gz OUOQMTQXWRSBNP-SECBINFHSA-N 1 0 391.107 2.821 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)C(=O)N1CCC(C[NH+](C)C)CC1 ZINC000479092754 564425281 /nfs/dbraw/zinc/42/52/81/564425281.db2.gz AYHKODSQGQKQPB-UHFFFAOYSA-N 1 0 396.329 2.750 20 0 GFADRO C[C@H](CC[NH+](C)C)NC(=O)C1(c2ccc(Br)cc2)CCOCC1 ZINC000513475895 564430480 /nfs/dbraw/zinc/43/04/80/564430480.db2.gz MODYVUJDCFARBH-CQSZACIVSA-N 1 0 383.330 2.954 20 0 GFADRO CCc1ncc(S(=O)(=O)NC2CC[NH+](CCc3ccccc3)CC2)s1 ZINC000545890581 564435900 /nfs/dbraw/zinc/43/59/00/564435900.db2.gz WZABUGXNMMJHPQ-UHFFFAOYSA-N 1 0 379.551 2.691 20 0 GFADRO COc1ccc(C(=O)N2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)c(Br)c1 ZINC000568870173 564439132 /nfs/dbraw/zinc/43/91/32/564439132.db2.gz SUXWZYDRECLLQM-IRXDYDNUSA-N 1 0 397.313 2.816 20 0 GFADRO CC[N@H+](C)C[C@H]1CCN(C(=O)[C@H](NC(=O)c2ccc(Cl)s2)C(C)C)C1 ZINC000513829326 564440406 /nfs/dbraw/zinc/44/04/06/564440406.db2.gz ADTMOLVZJUGBMJ-CZUORRHYSA-N 1 0 385.961 2.956 20 0 GFADRO CC[C@@H](CNS(C)(=O)=O)[NH2+][C@H](c1ccc(Br)s1)C1CC1 ZINC000453291479 564452866 /nfs/dbraw/zinc/45/28/66/564452866.db2.gz UOUWJPRWFDTGAH-GWCFXTLKSA-N 1 0 381.361 2.879 20 0 GFADRO CCC[N@@H+](Cc1ccccc1Br)C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000513893601 564441776 /nfs/dbraw/zinc/44/17/76/564441776.db2.gz WTQPLPBVBDNJTH-CQSZACIVSA-N 1 0 389.359 2.943 20 0 GFADRO Cc1cc2[nH]c(C[NH2+]C[C@@H](O)CS(=O)(=O)c3cccs3)cc2c(C)c1 ZINC000479464262 564441752 /nfs/dbraw/zinc/44/17/52/564441752.db2.gz HVUJICCQDLHNAR-OAHLLOKOSA-N 1 0 378.519 2.771 20 0 GFADRO O=S1(=O)CC[C@@H]([NH2+]CCN2CC=CCC2)c2cc(Br)ccc21 ZINC000479526069 564443363 /nfs/dbraw/zinc/44/33/63/564443363.db2.gz KSFNYHIJIZWKSI-OAHLLOKOSA-N 1 0 385.327 2.519 20 0 GFADRO CS(=O)(=O)N1CC[C@H](C[N@@H+]2CC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)C1 ZINC000514119483 564445413 /nfs/dbraw/zinc/44/54/13/564445413.db2.gz VXMNWDLZVWRESV-OCCSQVGLSA-N 1 0 393.336 2.728 20 0 GFADRO CS(=O)(=O)NCCC[NH2+][C@@H]1CCCCc2ccc(Br)cc21 ZINC000453058946 564445942 /nfs/dbraw/zinc/44/59/42/564445942.db2.gz AHARAKQVIJCVNU-OAHLLOKOSA-N 1 0 375.332 2.746 20 0 GFADRO C[NH+](C)CC1(CNC(=O)N[C@H](CO)c2ccc(Br)cc2)CCCC1 ZINC000546155381 564446760 /nfs/dbraw/zinc/44/67/60/564446760.db2.gz WSOXNNUMSRAYSH-MRXNPFEDSA-N 1 0 398.345 2.904 20 0 GFADRO CC(C)([NH2+]C[C@H]1CCN(S(C)(=O)=O)C1)c1ccccc1Br ZINC000514153305 564447250 /nfs/dbraw/zinc/44/72/50/564447250.db2.gz FJZSHHDKYCVWMS-GFCCVEGCSA-N 1 0 375.332 2.555 20 0 GFADRO C[C@@H]([NH2+]C[C@H]1CCCN1CCCO)c1ccc(I)cc1 ZINC000453260782 564451230 /nfs/dbraw/zinc/45/12/30/564451230.db2.gz RLYUCAWMENDQFX-CZUORRHYSA-N 1 0 388.293 2.789 20 0 GFADRO CC[C@H](CNS(C)(=O)=O)[NH2+][C@@H](Cc1cccnc1)c1cccc(Cl)c1 ZINC000453279580 564452179 /nfs/dbraw/zinc/45/21/79/564452179.db2.gz IZVJIBLCLCLEJZ-MSOLQXFVSA-N 1 0 381.929 2.936 20 0 GFADRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)N[C@@H](CO)c1cccc(Br)c1 ZINC000514652235 564452869 /nfs/dbraw/zinc/45/28/69/564452869.db2.gz OZXUGXNXYRLJHN-HOTGVXAUSA-N 1 0 398.345 2.902 20 0 GFADRO C[C@H]1[NH2+]CC[C@H]1C(=O)N(C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000569216755 564453179 /nfs/dbraw/zinc/45/31/79/564453179.db2.gz VUOXRIDFRGTGAK-MWLCHTKSSA-N 1 0 377.794 2.754 20 0 GFADRO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CCN1C[C@H]2CC[C@@H](C1)O2 ZINC000453352687 564454115 /nfs/dbraw/zinc/45/41/15/564454115.db2.gz RGXGMATXUIWTFS-XYPHTWIQSA-N 1 0 396.329 2.619 20 0 GFADRO Cc1c([C@H](C)[NH2+][C@@H]2CC[C@H](C(N)=O)C2)nnn1-c1cccc(Br)c1 ZINC000453363220 564454752 /nfs/dbraw/zinc/45/47/52/564454752.db2.gz MIEWDEKZXPKYEW-VHRBIJSZSA-N 1 0 392.301 2.643 20 0 GFADRO C[C@@H]([NH2+]C[C@@H](CO)Cc1ccc(F)c(Br)c1)C(C)(C)n1cncn1 ZINC000453392297 564455670 /nfs/dbraw/zinc/45/56/70/564455670.db2.gz YURVGFUUKIOUNP-OCCSQVGLSA-N 1 0 399.308 2.744 20 0 GFADRO Cc1c([C@H](C)[NH2+]C[C@]2(C)CCC(=O)N2)nnn1-c1cccc(Br)c1 ZINC000453405353 564457125 /nfs/dbraw/zinc/45/71/25/564457125.db2.gz QJLXYYNDEAGRMR-GTNSWQLSSA-N 1 0 392.301 2.658 20 0 GFADRO COCCC(=O)N1CCC([NH2+]Cc2sc(C)cc2Br)CC1 ZINC000453575100 564458379 /nfs/dbraw/zinc/45/83/79/564458379.db2.gz SKQJEIPRALCFHK-UHFFFAOYSA-N 1 0 375.332 2.936 20 0 GFADRO Cc1c(Br)cccc1CNC(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000514796428 564458642 /nfs/dbraw/zinc/45/86/42/564458642.db2.gz QBOWPUWJOXWLEG-UHFFFAOYSA-N 1 0 397.361 2.584 20 0 GFADRO Cc1csc(Sc2ccc(NC(=O)NC[C@]3(O)CC[N@@H+](C)C3)cc2)n1 ZINC000546570863 564459508 /nfs/dbraw/zinc/45/95/08/564459508.db2.gz AZNLKWPZLBPISG-QGZVFWFLSA-N 1 0 378.523 2.791 20 0 GFADRO COC(=O)c1nn(-c2ccc(Cl)c(Cl)c2)cc1C[NH2+][C@@H]1CCC[C@H]1O ZINC000453620866 564459951 /nfs/dbraw/zinc/45/99/51/564459951.db2.gz VWBTWIFYTUMPHT-HUUCEWRRSA-N 1 0 384.263 2.969 20 0 GFADRO CCc1ncc(S(=O)(=O)N[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC000546598062 564461222 /nfs/dbraw/zinc/46/12/22/564461222.db2.gz IULQNIGMDPLBOT-HOCLYGCPSA-N 1 0 379.551 2.894 20 0 GFADRO CC[C@H](CCO)C[NH2+][C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000480166024 564462209 /nfs/dbraw/zinc/46/22/09/564462209.db2.gz QJJUOXLDJYROIG-BXUZGUMPSA-N 1 0 376.316 2.666 20 0 GFADRO C[N@@H+]1CCC[C@H](CNC(=O)N2CCc3c(F)ccc(Br)c3C2)C1 ZINC000569429250 564462732 /nfs/dbraw/zinc/46/27/32/564462732.db2.gz LFDNKAJKRJWOPM-GFCCVEGCSA-N 1 0 384.293 2.998 20 0 GFADRO CCCOc1c(Cl)cc(C[NH2+]CCS(=O)(=O)N(C)C)cc1OCC ZINC000514975247 564464621 /nfs/dbraw/zinc/46/46/21/564464621.db2.gz FALMZOOQIPZTDF-UHFFFAOYSA-N 1 0 378.922 2.509 20 0 GFADRO C[C@H](C[NH2+][C@@H]1CCS(=O)(=O)c2ccc(Br)cc21)N(C)C1CC1 ZINC000480220645 564464898 /nfs/dbraw/zinc/46/48/98/564464898.db2.gz RXNXFQYCAWAUPI-IAQYHMDHSA-N 1 0 387.343 2.740 20 0 GFADRO CC(C)[C@](C)(O)C[NH2+][C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000480240116 564465723 /nfs/dbraw/zinc/46/57/23/564465723.db2.gz JLFCCYZMCUAWTD-UKRRQHHQSA-N 1 0 376.316 2.664 20 0 GFADRO O=S(=O)(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(Br)o1 ZINC000480410590 564471882 /nfs/dbraw/zinc/47/18/82/564471882.db2.gz NQUDEHDWCUIZSN-CQSZACIVSA-N 1 0 399.310 2.843 20 0 GFADRO O[C@H](C[NH2+]CCOc1cccc(Br)c1)COCc1ccccc1 ZINC000515235106 564472947 /nfs/dbraw/zinc/47/29/47/564472947.db2.gz ZNLZYUWUDUJYGG-QGZVFWFLSA-N 1 0 380.282 2.995 20 0 GFADRO [NH3+]C[C@@H]1CCCN(C(=O)C(=O)N(Cc2ccc(Cl)c(Cl)c2)C2CC2)C1 ZINC000515233066 564473083 /nfs/dbraw/zinc/47/30/83/564473083.db2.gz HHOVBQQIUGWGPA-ZDUSSCGKSA-N 1 0 384.307 2.682 20 0 GFADRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNS(=O)(=O)c1ccc(OC(F)F)c(F)c1 ZINC000569672590 564473290 /nfs/dbraw/zinc/47/32/90/564473290.db2.gz VWPDEMLMBBIOKC-VXGBXAGGSA-N 1 0 380.432 2.968 20 0 GFADRO CN(C(=O)C[N@H+](C)[C@@H]1CCSC1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000480440260 564473591 /nfs/dbraw/zinc/47/35/91/564473591.db2.gz UCBCQCIIVBIQJK-XQAQDONZSA-N 1 0 389.348 2.847 20 0 GFADRO C[C@@H](NCc1ccc(S(=O)(=O)N(C)C)s1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000515348678 564475719 /nfs/dbraw/zinc/47/57/19/564475719.db2.gz IWRWGRCUQARBJC-CABCVRRESA-N 1 0 385.599 2.741 20 0 GFADRO CC(=O)N1CCN(CC[NH2+][C@H]2C[C@@H](C)c3c2cccc3Br)CC1 ZINC000480601877 564479240 /nfs/dbraw/zinc/47/92/40/564479240.db2.gz RETGYOFRDLCIIB-DYVFJYSZSA-N 1 0 380.330 2.751 20 0 GFADRO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@H]1C[C@@H]2CCCCN2C1=O ZINC000515480301 564479871 /nfs/dbraw/zinc/47/98/71/564479871.db2.gz KHOUPAGSRAHEBG-KCXAZCMYSA-N 1 0 394.313 2.909 20 0 GFADRO CSc1ccc(OC[C@@H](O)C[NH2+]C2CCN(c3nccs3)CC2)cc1 ZINC000569920265 564483801 /nfs/dbraw/zinc/48/38/01/564483801.db2.gz CPOGDEMQKXYZJG-HNNXBMFYSA-N 1 0 379.551 2.863 20 0 GFADRO Cc1cc([C@H](C)NC(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)c(C)s1 ZINC000569911291 564483824 /nfs/dbraw/zinc/48/38/24/564483824.db2.gz PIHWJGGLLARSKG-FZMZJTMJSA-N 1 0 378.464 2.561 20 0 GFADRO O=C(CC[NH2+]C1CC1)NC1CCN(Cc2ccc(Br)cc2)CC1 ZINC000569987985 564486581 /nfs/dbraw/zinc/48/65/81/564486581.db2.gz INTLWPOSCYHLHE-UHFFFAOYSA-N 1 0 380.330 2.672 20 0 GFADRO CC[N@H+](C)C[C@@H](O)CN1CCC[C@H]1c1ccccc1I ZINC000515864868 564488750 /nfs/dbraw/zinc/48/87/50/564488750.db2.gz PJVDMNVXXBWCLO-CJNGLKHVSA-N 1 0 388.293 2.741 20 0 GFADRO C[C@@H](CCC[NH3+])NS(=O)(=O)c1ccc(Br)c(C(F)(F)F)c1 ZINC000570093040 564491228 /nfs/dbraw/zinc/49/12/28/564491228.db2.gz FCQDFFLPCXSHNZ-QMMMGPOBSA-N 1 0 389.237 2.874 20 0 GFADRO O=C1NC2(CCCC2)C(=O)N1CC[NH2+]Cc1cnc(-c2cccs2)s1 ZINC000547505317 564491701 /nfs/dbraw/zinc/49/17/01/564491701.db2.gz CPFZAJIZVZBAOW-UHFFFAOYSA-N 1 0 376.507 2.826 20 0 GFADRO O=C(C[NH2+][C@H](c1cc(F)cc(Br)c1)C1CC1)NC1CCOCC1 ZINC000547517845 564491725 /nfs/dbraw/zinc/49/17/25/564491725.db2.gz ONXDQBJAVDNVCY-KRWDZBQOSA-N 1 0 385.277 2.924 20 0 GFADRO C[N@@H+]1CCC[C@H]1CNC(=O)Nc1nnc(-c2cccc(Br)c2)s1 ZINC000547521642 564491828 /nfs/dbraw/zinc/49/18/28/564491828.db2.gz BXKKGIKGTSWSFL-LBPRGKRZSA-N 1 0 396.314 3.183 20 0 GFADRO CO[C@H]1CCN(C(=O)CSc2ccc(Br)cc2C)[C@H](C[NH3+])C1 ZINC000516174403 564495261 /nfs/dbraw/zinc/49/52/61/564495261.db2.gz FYLLJOJFSOPJSE-KBPBESRZSA-N 1 0 387.343 2.814 20 0 GFADRO OC[C@@H](C[NH2+]C[C@H](O)COc1ccc(Cl)cc1Cl)Cc1cccnc1 ZINC000570211880 564495948 /nfs/dbraw/zinc/49/59/48/564495948.db2.gz JACKEQNMCDEERC-ZBFHGGJFSA-N 1 0 385.291 2.569 20 0 GFADRO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCN(C(=O)c2cc3sccc3s2)CC1 ZINC000570208314 564495980 /nfs/dbraw/zinc/49/59/80/564495980.db2.gz XJKAGCKOZKWTQW-STQMWFEESA-N 1 0 377.535 2.635 20 0 GFADRO COCCOc1ccc(Br)cc1NC(=O)N[C@@H](C)CC[NH+](C)C ZINC000480942722 564496716 /nfs/dbraw/zinc/49/67/16/564496716.db2.gz QQUAELXCTAYXOM-LBPRGKRZSA-N 1 0 388.306 2.936 20 0 GFADRO Cc1cc(Cl)cc(NC(=O)C(=O)N(C)CCC[NH+](C)C)c1Br ZINC000570253308 564498078 /nfs/dbraw/zinc/49/80/78/564498078.db2.gz HMBZVZVLLPAMGM-UHFFFAOYSA-N 1 0 390.709 2.760 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)CNC(=O)c1sc2ccccc2c1Cl)C1CC1 ZINC000516399524 564501581 /nfs/dbraw/zinc/50/15/81/564501581.db2.gz CASZKAGCTMLQCO-ZDUSSCGKSA-N 1 0 379.913 2.741 20 0 GFADRO Cc1nc(CNC(=O)NC2CC[NH+](C(C)C)CC2)sc1Br ZINC000454200430 564502094 /nfs/dbraw/zinc/50/20/94/564502094.db2.gz QOQWXUOJZZXTFC-UHFFFAOYSA-N 1 0 375.336 2.886 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc(-n2cc(Br)cn2)cc1 ZINC000516500830 564503603 /nfs/dbraw/zinc/50/36/03/564503603.db2.gz ZPNCKZVOUFUCCL-SJORKVTESA-N 1 0 389.297 2.991 20 0 GFADRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)NCc1nn(C)cc1Br ZINC000454314278 564505813 /nfs/dbraw/zinc/50/58/13/564505813.db2.gz DSCUABMTTARIMZ-ZDUSSCGKSA-N 1 0 386.338 2.636 20 0 GFADRO C[C@@H](CNC(=O)NC[C@@H]1CCN(c2cccc(Br)c2)C1)[NH+](C)C ZINC000454367364 564508380 /nfs/dbraw/zinc/50/83/80/564508380.db2.gz BPBOFGTXSWIRGZ-KBPBESRZSA-N 1 0 383.334 2.525 20 0 GFADRO Cc1c(S(=O)(=O)NC[C@H](C)[NH+]2CCCC2)cnn1-c1ccc(Cl)cc1 ZINC000547715000 564508718 /nfs/dbraw/zinc/50/87/18/564508718.db2.gz BKLQDNXQGJSQIN-ZDUSSCGKSA-N 1 0 382.917 2.597 20 0 GFADRO CN(C)c1cc(Cl)cc(Cl)c1C[NH2+]C[C@@H]1CCCCN1S(C)(=O)=O ZINC000570554882 564511528 /nfs/dbraw/zinc/51/15/28/564511528.db2.gz FMSJRSDRPCHNBH-ZDUSSCGKSA-N 1 0 394.368 2.963 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)c2ccc(Br)cc2Cl)CC12CCOCC2 ZINC000570570347 564512858 /nfs/dbraw/zinc/51/28/58/564512858.db2.gz VSXCUFQHWAQOBU-LLVKDONJSA-N 1 0 387.705 2.930 20 0 GFADRO CC(C)[NH2+]CCCNC(=O)N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000570618374 564514795 /nfs/dbraw/zinc/51/47/95/564514795.db2.gz IYVMSORXSMQQNH-AWEZNQCLSA-N 1 0 387.311 2.786 20 0 GFADRO CC[NH+](CC)[C@@H](C)CNC(=O)NCCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000454606754 564516283 /nfs/dbraw/zinc/51/62/83/564516283.db2.gz DMFNHHINFOBOGN-AWEZNQCLSA-N 1 0 389.949 2.533 20 0 GFADRO Cc1cc(N2CC[C@H]([NH2+]C[C@@H](O)CCOC(C)C)C2=O)ccc1Br ZINC000516922396 564516966 /nfs/dbraw/zinc/51/69/66/564516966.db2.gz ZMTOFGCVVJOCTQ-RDJZCZTQSA-N 1 0 399.329 2.628 20 0 GFADRO C[N@@H+]1CCC[C@@H](CNC(=O)c2ccccc2-n2cc(Br)cn2)C1 ZINC000570771186 564520291 /nfs/dbraw/zinc/52/02/91/564520291.db2.gz OVAGDKHKRYVHTP-ZDUSSCGKSA-N 1 0 377.286 2.706 20 0 GFADRO CCS(=O)(=O)NCC[NH2+][C@@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000481747093 564521422 /nfs/dbraw/zinc/52/14/22/564521422.db2.gz GOSKRPWUEGDADK-CQSZACIVSA-N 1 0 379.295 2.568 20 0 GFADRO CS(=O)(=O)C1(C[NH2+]C[C@@H](O)Cc2ccc(C(F)(F)F)cc2)CCCC1 ZINC000517025709 564521771 /nfs/dbraw/zinc/52/17/71/564521771.db2.gz GIJHHMJGLBQVGR-HNNXBMFYSA-N 1 0 379.444 2.556 20 0 GFADRO COc1ccc(CC[NH2+][C@H](C(N)=O)c2ccc(Br)cc2)c(OC)c1 ZINC000517168874 564526512 /nfs/dbraw/zinc/52/65/12/564526512.db2.gz NYNJFCMVABSWJW-KRWDZBQOSA-N 1 0 393.281 2.825 20 0 GFADRO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1ccc(I)cn1 ZINC000454935538 564528721 /nfs/dbraw/zinc/52/87/21/564528721.db2.gz RSNKPELCUXYYLK-GFCCVEGCSA-N 1 0 389.281 2.927 20 0 GFADRO Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)NC(=O)c1csc(CC[NH3+])n1 ZINC000517239221 564528950 /nfs/dbraw/zinc/52/89/50/564528950.db2.gz MWFVRSIRFGIWRM-MRVPVSSYSA-N 1 0 375.420 2.511 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)c1cnn(-c2cccc(Br)c2)c1 ZINC000517370099 564531681 /nfs/dbraw/zinc/53/16/81/564531681.db2.gz BBTFEYZQCIEHKI-CQSZACIVSA-N 1 0 375.270 2.601 20 0 GFADRO C[NH+](C)[C@H](CNS(=O)(=O)c1ccc2ncsc2c1)Cc1ccccc1 ZINC000548117466 564532040 /nfs/dbraw/zinc/53/20/40/564532040.db2.gz NPNIVQRLJMVGQX-HNNXBMFYSA-N 1 0 375.519 2.748 20 0 GFADRO Cc1nc(CSc2ccc(C(=O)NC[C@H]3C[NH2+]CCCO3)cc2)cs1 ZINC000517369905 564532071 /nfs/dbraw/zinc/53/20/71/564532071.db2.gz PJXNYPOZWKBSBW-MRXNPFEDSA-N 1 0 377.535 2.852 20 0 GFADRO CN(C)C(=O)[C@@H]1CCCN1CCC[NH2+][C@H]1CCc2cc(Br)ccc21 ZINC000482031624 564532249 /nfs/dbraw/zinc/53/22/49/564532249.db2.gz IQWSWIRKCBZYBS-ROUUACIJSA-N 1 0 394.357 2.969 20 0 GFADRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)Nc1ccc(Cl)c(S(C)(=O)=O)c1 ZINC000482077345 564533359 /nfs/dbraw/zinc/53/33/59/564533359.db2.gz FCMXHYZIEGRFJN-JSGCOSHPSA-N 1 0 385.917 2.834 20 0 GFADRO COCC[NH2+]C1CCN(C(=O)c2cc3c(cc(Br)cc3F)[nH]2)CC1 ZINC000571056558 564534348 /nfs/dbraw/zinc/53/43/48/564534348.db2.gz DDMXLIYCGVDZOS-UHFFFAOYSA-N 1 0 398.276 2.910 20 0 GFADRO O=C(Nc1cc(F)c(Br)c(F)c1)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000455078686 564536177 /nfs/dbraw/zinc/53/61/77/564536177.db2.gz RQNQGSKSUFUJDA-JTQLQIEISA-N 1 0 392.244 2.696 20 0 GFADRO O=C(NC[C@@H]1CCCC[N@H+]1CCO)Nc1ccc(Cl)c(OC(F)F)c1 ZINC000455107465 564537147 /nfs/dbraw/zinc/53/71/47/564537147.db2.gz NVTGFQCQRLRVSB-LBPRGKRZSA-N 1 0 377.819 2.910 20 0 GFADRO C[C@H](CNC(=O)c1ccc(I)cn1)[NH+]1CCC(C)CC1 ZINC000455108460 564537232 /nfs/dbraw/zinc/53/72/32/564537232.db2.gz XODSHFBIAGNVHQ-GFCCVEGCSA-N 1 0 387.265 2.536 20 0 GFADRO CC[NH+]1CCN(CC(C)(C)NC(=O)Nc2ccc(Br)c(C)n2)CC1 ZINC000455139424 564538665 /nfs/dbraw/zinc/53/86/65/564538665.db2.gz JLIYKLNRMCWLCL-UHFFFAOYSA-N 1 0 398.349 2.690 20 0 GFADRO COC[C@H](Cc1ccccc1)NC(=O)[C@@](C)([NH3+])c1ccc(Br)cc1 ZINC000571163762 564538748 /nfs/dbraw/zinc/53/87/48/564538748.db2.gz JJJHRCMHTNVHIJ-HKUYNNGSSA-N 1 0 391.309 2.997 20 0 GFADRO COCC[N@H+](C)CCN[C@H](C)c1nnn(-c2cccc(Br)c2)c1C ZINC000482247438 564540216 /nfs/dbraw/zinc/54/02/16/564540216.db2.gz MDVGRASJOAKGEX-CYBMUJFWSA-N 1 0 396.333 2.567 20 0 GFADRO CC[NH+](CC)CC(=O)N1CCN(c2noc3ccc(Br)cc32)CC1 ZINC000571252871 564542515 /nfs/dbraw/zinc/54/25/15/564542515.db2.gz IBMSQUBOHBHURR-UHFFFAOYSA-N 1 0 395.301 2.581 20 0 GFADRO Cc1nc(CNC(=O)N2CC[N@H+](C)[C@@H](C(C)C)C2)sc1Br ZINC000455241581 564545122 /nfs/dbraw/zinc/54/51/22/564545122.db2.gz YQYWKHBROIHYBS-LLVKDONJSA-N 1 0 375.336 2.696 20 0 GFADRO C[C@H](NC(=O)NC[C@@H](c1ccsc1)[NH+](C)C)c1ncc(Br)cn1 ZINC000571311447 564545486 /nfs/dbraw/zinc/54/54/86/564545486.db2.gz JZKYTRJWSPZYRT-GWCFXTLKSA-N 1 0 398.330 2.964 20 0 GFADRO C[C@@H]1C[C@H]([NH2+]CCCN2CCC[C@@H]2C(N)=O)c2cccc(Br)c21 ZINC000482629073 564547471 /nfs/dbraw/zinc/54/74/71/564547471.db2.gz MHGYLIBMQJXZSN-UHOFOFEASA-N 1 0 380.330 2.927 20 0 GFADRO CC[N@@H+]1CC[C@@H](NC(=O)NCCNc2ncc(C(F)(F)F)cc2Cl)C1 ZINC000518335988 564550420 /nfs/dbraw/zinc/55/04/20/564550420.db2.gz DNNHDXITMYIQLJ-LLVKDONJSA-N 1 0 379.814 2.559 20 0 GFADRO C[C@@H](CNC(=O)N1CCO[C@@H](c2ccc(Br)cc2)[C@H]1C)[NH+](C)C ZINC000455429702 564553281 /nfs/dbraw/zinc/55/32/81/564553281.db2.gz JKFPPVNOXSSEMK-WOSRLPQWSA-N 1 0 384.318 2.871 20 0 GFADRO CN(C)C(=O)CCC[N@H+](CCc1ccc(Cl)cc1)C[C@@H](O)C(F)(F)F ZINC000571535505 564554929 /nfs/dbraw/zinc/55/49/29/564554929.db2.gz PHHFWCRBRPQDBH-OAHLLOKOSA-N 1 0 380.838 2.976 20 0 GFADRO COC(=O)CNC(=O)CC[NH2+][C@@](C)(CC(C)C)c1cccc(Br)c1 ZINC000483048132 564556857 /nfs/dbraw/zinc/55/68/57/564556857.db2.gz MQTJBFGLDQVANR-SFHVURJKSA-N 1 0 399.329 2.979 20 0 GFADRO CN(CCC[NH+](C)C)C(=O)C(=O)N1CCC[C@H]1c1cccc(Br)c1 ZINC000518715600 564560404 /nfs/dbraw/zinc/56/04/04/564560404.db2.gz BUKCSGUCHGINAX-INIZCTEOSA-N 1 0 396.329 2.523 20 0 GFADRO C[C@H]1CC[N@H+](C)CCN1C(=O)Nc1ccn(-c2ccc(Br)cc2)n1 ZINC000455638330 564562146 /nfs/dbraw/zinc/56/21/46/564562146.db2.gz GTEVMKSMLSDUQG-ZDUSSCGKSA-N 1 0 392.301 3.193 20 0 GFADRO Cc1cc(Br)ccc1CNC(=O)Nc1ccnn1CC[NH+](C)C ZINC000455644149 564562339 /nfs/dbraw/zinc/56/23/39/564562339.db2.gz CBMLOYODVKPSLE-UHFFFAOYSA-N 1 0 380.290 2.837 20 0 GFADRO C[NH+](C)CCn1nccc1NC(=O)NCCOc1ccc(Cl)c(Cl)c1 ZINC000455648279 564563042 /nfs/dbraw/zinc/56/30/42/564563042.db2.gz NWRZGOJTHLAZIQ-UHFFFAOYSA-N 1 0 386.283 2.952 20 0 GFADRO COCC[C@@H](COC)[NH2+]Cc1cc(Br)cc(Br)c1N ZINC000518848348 564563613 /nfs/dbraw/zinc/56/36/13/564563613.db2.gz BNMMYXHQXHPWNW-NSHDSACASA-N 1 0 396.123 2.935 20 0 GFADRO O=C(NCC[NH2+]C1CC(c2ccc(Br)cc2F)C1)c1ccn[nH]1 ZINC000571731724 564564739 /nfs/dbraw/zinc/56/47/39/564564739.db2.gz MRVUQJZSSZHSEA-UHFFFAOYSA-N 1 0 381.249 2.577 20 0 GFADRO CCS(=O)(=O)c1ccc(CNC(=O)Nc2cccc3c2CC[NH2+]C3)s1 ZINC000571743795 564564909 /nfs/dbraw/zinc/56/49/09/564564909.db2.gz RGPGYIFZUPQNFC-UHFFFAOYSA-N 1 0 379.507 2.509 20 0 GFADRO CC[C@@H](Cc1ccccc1Br)N(C)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000518942751 564565640 /nfs/dbraw/zinc/56/56/40/564565640.db2.gz MGQKHVULSKWKQC-HOTGVXAUSA-N 1 0 398.345 2.790 20 0 GFADRO CC(C)[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)N1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000518964095 564566541 /nfs/dbraw/zinc/56/65/41/564566541.db2.gz ZVXGQMNYOSXLOT-LMOYCYGVSA-N 1 0 385.961 2.988 20 0 GFADRO OC12C[C@@H]3C[C@H](C1)CC([NH2+]Cc1ncc(I)s1)(C3)C2 ZINC000519033008 564568624 /nfs/dbraw/zinc/56/86/24/564568624.db2.gz FHXIQEUSRNINRC-XYAOECAESA-N 1 0 390.290 2.921 20 0 GFADRO CNS(=O)(=O)CCC[N@@H+](Cc1ccccc1Br)CC(C)C ZINC000483536662 564568873 /nfs/dbraw/zinc/56/88/73/564568873.db2.gz CMJJJNLJMXYLDV-UHFFFAOYSA-N 1 0 377.348 2.846 20 0 GFADRO CN(CC[NH+](C)C)C(=O)NCc1cc(Br)ccc1Br ZINC000483628466 564571785 /nfs/dbraw/zinc/57/17/85/564571785.db2.gz PTRRYAGNMSGRJX-UHFFFAOYSA-N 1 0 393.123 2.915 20 0 GFADRO O=S(=O)(NC[C@H]1CCCN(Cc2cnc(-c3ccco3)s2)C1)C1CC1 ZINC000519231519 564572390 /nfs/dbraw/zinc/57/23/90/564572390.db2.gz CPCSLZHQBGPCOM-CYBMUJFWSA-N 1 0 381.523 2.697 20 0 GFADRO O[C@@H](COC[C@H]1CCCO1)C[N@H+](Cc1cccc(Br)c1)C1CC1 ZINC000519276067 564572922 /nfs/dbraw/zinc/57/29/22/564572922.db2.gz MZQXCRQPFXZKCP-QZTJIDSGSA-N 1 0 384.314 2.970 20 0 GFADRO O[C@H](COC[C@H]1CCCO1)C[N@H+](Cc1cccc(Br)c1)C1CC1 ZINC000519276069 564573292 /nfs/dbraw/zinc/57/32/92/564573292.db2.gz MZQXCRQPFXZKCP-ZWKOTPCHSA-N 1 0 384.314 2.970 20 0 GFADRO CC(C)[C@@H]1CN(C(=O)Nc2cc(N(C)C)c(Br)cn2)CC[N@@H+]1C ZINC000455860106 564575649 /nfs/dbraw/zinc/57/56/49/564575649.db2.gz DQOPPMICUFEMCM-AWEZNQCLSA-N 1 0 384.322 2.714 20 0 GFADRO C[C@@H]1C[C@@H](N(C)C(=O)Nc2cc(N(C)C)c(Br)cn2)CC[N@@H+]1C ZINC000455860578 564575949 /nfs/dbraw/zinc/57/59/49/564575949.db2.gz FHWMOHKZFJTOJH-NEPJUHHUSA-N 1 0 384.322 2.857 20 0 GFADRO C[C@@H](NC(=O)c1ccc(-c2ccc(Cl)cc2)s1)C(=O)NCC[NH+](C)C ZINC000519367423 564576308 /nfs/dbraw/zinc/57/63/08/564576308.db2.gz DJKSPOJQWUNMKN-GFCCVEGCSA-N 1 0 379.913 2.865 20 0 GFADRO Cc1cc(S(=O)(=O)N[C@@H](C)[C@H]2CCC[NH2+]C2)c(F)cc1Br ZINC000519399192 564576791 /nfs/dbraw/zinc/57/67/91/564576791.db2.gz AJVFNQSFMPWHIN-QWRGUYRKSA-N 1 0 379.295 2.563 20 0 GFADRO Cn1cc(Br)c(C(=O)N[C@]2(C)CC[N@H+](Cc3ccccc3)C2)n1 ZINC000572005946 564577172 /nfs/dbraw/zinc/57/71/72/564577172.db2.gz UOMCWEXLEUUZNJ-QGZVFWFLSA-N 1 0 377.286 2.577 20 0 GFADRO C[C@H](c1ccc(Br)cc1)N1CC[NH+](CCCC(=O)N(C)C)CC1 ZINC000572012382 564577362 /nfs/dbraw/zinc/57/73/62/564577362.db2.gz XRBYVOJEFDAWCF-OAHLLOKOSA-N 1 0 382.346 2.996 20 0 GFADRO CCC[N@@H+]1CC[C@@H](CNC(=O)Nc2cc(N(C)C)c(Br)cn2)C1 ZINC000455870441 564577577 /nfs/dbraw/zinc/57/75/77/564577577.db2.gz SLJRUYYIEVOUMT-LBPRGKRZSA-N 1 0 384.322 2.764 20 0 GFADRO O[C@@H](C[NH2+]Cc1cnc2n1CCCC2)COc1cc(F)cc(Br)c1 ZINC000519535982 564579960 /nfs/dbraw/zinc/57/99/60/564579960.db2.gz BNAADOXAVKYBBE-HNNXBMFYSA-N 1 0 398.276 2.651 20 0 GFADRO Cc1c(Br)cccc1CNC(=O)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000519561898 564580631 /nfs/dbraw/zinc/58/06/31/564580631.db2.gz TWVDGGRDWLKSPU-OAHLLOKOSA-N 1 0 377.286 2.809 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C(=O)N1CCC(C[NH3+])CC1 ZINC000572118154 564581620 /nfs/dbraw/zinc/58/16/20/564581620.db2.gz WWCOBAVJXOZIMC-UHFFFAOYSA-N 1 0 377.286 2.754 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCN(C(=O)[C@@H]2CCCN2C(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000484087300 564581577 /nfs/dbraw/zinc/58/15/77/564581577.db2.gz HOFUXXCNAGDBRP-RBOXIYTFSA-N 1 0 384.307 2.794 20 0 GFADRO O[C@@H](C[NH2+]C[C@H](O)COc1cc(F)cc(Br)c1)Cc1ccccc1 ZINC000572121252 564582274 /nfs/dbraw/zinc/58/22/74/564582274.db2.gz MHKNSYPWAXMJJN-SJORKVTESA-N 1 0 398.272 2.521 20 0 GFADRO C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)[C@@H]([NH3+])C2CCC2)CC1 ZINC000572154415 564583312 /nfs/dbraw/zinc/58/33/12/564583312.db2.gz SYFPJRCWXMOUKE-GUYCJALGSA-N 1 0 380.330 2.782 20 0 GFADRO Cc1nc2cc(Cl)c(NC(=O)C(=O)N(C)CC[NH+]3CCCC3)cc2s1 ZINC000484304456 564585728 /nfs/dbraw/zinc/58/57/28/564585728.db2.gz HAISHMAUHAEKHY-UHFFFAOYSA-N 1 0 380.901 2.751 20 0 GFADRO OCC[C@@H](C[NH2+]C[C@@H](O)COc1ccc(Br)cc1)c1ccccc1 ZINC000572243061 564586243 /nfs/dbraw/zinc/58/62/43/564586243.db2.gz KAWLEELTHUHTAB-FUHWJXTLSA-N 1 0 394.309 2.945 20 0 GFADRO Cc1nc2cc(Cl)c(NC(=O)C(=O)N3CC[N@@H+](C)CC[C@H]3C)cc2s1 ZINC000484323396 564586544 /nfs/dbraw/zinc/58/65/44/564586544.db2.gz GWAFFRLGDACNRA-SNVBAGLBSA-N 1 0 380.901 2.749 20 0 GFADRO CC[NH+](CC)CCOCCNC(=O)NCc1ccsc1Br ZINC000549126135 564587195 /nfs/dbraw/zinc/58/71/95/564587195.db2.gz WKNQQTQTFPWOPV-UHFFFAOYSA-N 1 0 378.336 2.668 20 0 GFADRO COCc1cc(Cl)cc(S(=O)(=O)N2CCc3ccccc3[C@H]2C[NH3+])c1 ZINC000572285067 564587468 /nfs/dbraw/zinc/58/74/68/564587468.db2.gz UBURRCDQQXSTRJ-GOSISDBHSA-N 1 0 380.897 2.733 20 0 GFADRO Cc1cc(C(=O)N(C)C2(C[NH3+])CCC2)nn1-c1ccc(Br)cc1 ZINC000572392979 564593262 /nfs/dbraw/zinc/59/32/62/564593262.db2.gz MPZXIFJXMRTXLK-UHFFFAOYSA-N 1 0 377.286 2.897 20 0 GFADRO CCO[C@@H]1COCC[C@H]1[NH2+]CC(=O)Nc1ccc(Br)cc1Cl ZINC000484642040 564593822 /nfs/dbraw/zinc/59/38/22/564593822.db2.gz RDLNBHMROVFKMK-ZIAGYGMSSA-N 1 0 391.693 2.825 20 0 GFADRO CC(C)[C@H]1C[C@@H]([NH2+]CCNS(=O)(=O)c2ccc(F)cc2Cl)CS1 ZINC000549422906 564594936 /nfs/dbraw/zinc/59/49/36/564594936.db2.gz SCEPFCDKMCVDPD-TZMCWYRMSA-N 1 0 380.938 2.877 20 0 GFADRO Cc1cc(CCC(=O)N2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)ccc1Br ZINC000456206281 564595190 /nfs/dbraw/zinc/59/51/90/564595190.db2.gz DMPQCNJWCIADRH-GASCZTMLSA-N 1 0 383.330 2.604 20 0 GFADRO CC[NH+](CC)C[C@@H](C)NC(=O)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000519994927 564595931 /nfs/dbraw/zinc/59/59/31/564595931.db2.gz DZWCNAXDXPIHLU-ZIAGYGMSSA-N 1 0 396.329 2.649 20 0 GFADRO Cc1nc(CSc2ccc(C(=O)N3CCCO[C@@H](C[NH3+])C3)cc2)cs1 ZINC000572481696 564597100 /nfs/dbraw/zinc/59/71/00/564597100.db2.gz YVZJHSXTNKJZQT-INIZCTEOSA-N 1 0 377.535 2.934 20 0 GFADRO CN1CCO[C@H]([C@H](NC(=O)N[C@H]2CSC2(C)C)c2ccc(Cl)cc2)C1 ZINC000549545439 564597684 /nfs/dbraw/zinc/59/76/84/564597684.db2.gz TZJDBKLMVKARGH-HRCADAONSA-N 1 0 383.945 2.905 20 0 GFADRO COc1cc(Br)c(C[NH2+]C[C@@H]2CC(=O)N(C3CC3)C2)cc1OC ZINC000572531736 564599075 /nfs/dbraw/zinc/59/90/75/564599075.db2.gz HZFHZCGSEUKFTJ-NSHDSACASA-N 1 0 383.286 2.567 20 0 GFADRO Cc1nc(-c2cccc(Cl)c2)sc1C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000520309757 564600625 /nfs/dbraw/zinc/60/06/25/564600625.db2.gz MVZMIUPDACTUDG-HNNXBMFYSA-N 1 0 378.929 2.748 20 0 GFADRO CCS(=O)(=O)N(C)CCC[NH2+][C@H]1CCc2cccc(Br)c2C1 ZINC000549709712 564602425 /nfs/dbraw/zinc/60/24/25/564602425.db2.gz PBYYKTABBXXLOK-AWEZNQCLSA-N 1 0 389.359 2.568 20 0 GFADRO C[C@@H]1C[N@H+](C)CCN1c1ccc(Br)cc1NC(=O)c1csnn1 ZINC000456363785 564602789 /nfs/dbraw/zinc/60/27/89/564602789.db2.gz FYKWRUOCLKAYHP-SNVBAGLBSA-N 1 0 396.314 2.693 20 0 GFADRO O=C(C[C@H]1CSCC[NH2+]1)N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000520396816 564603595 /nfs/dbraw/zinc/60/35/95/564603595.db2.gz NCEPULGAKGPFGU-MNOVXSKESA-N 1 0 379.473 2.963 20 0 GFADRO C[C@@H]1OCC[C@H]1C(=O)Nc1cc(Br)ccc1N1CC[N@H+](C)C[C@H]1C ZINC000456369239 564603970 /nfs/dbraw/zinc/60/39/70/564603970.db2.gz LQSUKVAQZOFANY-VNHYZAJKSA-N 1 0 396.329 2.953 20 0 GFADRO C[N@@H+]1CCC[C@]2(CCN(S(=O)(=O)c3ccc(OC(F)F)c(F)c3)C2)C1 ZINC000549903628 564607887 /nfs/dbraw/zinc/60/78/87/564607887.db2.gz RXWILKIZMITBQI-INIZCTEOSA-N 1 0 378.416 2.534 20 0 GFADRO C[C@@H](NC(=O)C(=O)N[C@@H](C)C[NH+]1CCCCC1)c1ccc(Br)cc1 ZINC000520618903 564608915 /nfs/dbraw/zinc/60/89/15/564608915.db2.gz AHVDHUQXLFQEKY-UONOGXRCSA-N 1 0 396.329 2.617 20 0 GFADRO COCCC[N@H+](C)CCNC(=O)N[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000520707201 564611360 /nfs/dbraw/zinc/61/13/60/564611360.db2.gz GWJJDFJZIHBPSL-JKSUJKDBSA-N 1 0 384.318 2.573 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)c2cn(-c3ccc(Br)cc3)cn2)C1 ZINC000572839879 564613080 /nfs/dbraw/zinc/61/30/80/564613080.db2.gz ABXXGBPTSNCJJB-QWHCGFSZSA-N 1 0 377.286 2.834 20 0 GFADRO CCCC(=O)N1CSC[C@@H]1C(=O)N1CC[NH2+]C[C@@H]1c1cccc(Cl)c1 ZINC000572869629 564613830 /nfs/dbraw/zinc/61/38/30/564613830.db2.gz GGKOEZXGGOAEFJ-HZPDHXFCSA-N 1 0 381.929 2.515 20 0 GFADRO CN(C)[C@H](CNS(=O)(=O)c1ccc2c(c1)C(=O)CCC2)c1ccsc1 ZINC000572891611 564614732 /nfs/dbraw/zinc/61/47/32/564614732.db2.gz JKYXLJGMVPLNFM-QGZVFWFLSA-N 1 0 378.519 2.848 20 0 GFADRO Cc1ccc(C[C@H](CO)CNC(=O)CC2CC[NH+](C)CC2)cc1Br ZINC000456505970 564615130 /nfs/dbraw/zinc/61/51/30/564615130.db2.gz VYRRSIMBJMDHOS-KRWDZBQOSA-N 1 0 397.357 2.757 20 0 GFADRO CC[NH+](CC)CCNC(=O)N1CCN(Cc2ccc(Br)cc2)CC1 ZINC000485442015 564615241 /nfs/dbraw/zinc/61/52/41/564615241.db2.gz FERCBPBONAEXDX-UHFFFAOYSA-N 1 0 397.361 2.618 20 0 GFADRO C[C@@H]([NH2+]C[C@@H]1CCCCN1S(=O)(=O)N(C)C)c1ccc(F)cc1Cl ZINC000520881464 564615419 /nfs/dbraw/zinc/61/54/19/564615419.db2.gz PIEMHUBQVWYXIG-OCCSQVGLSA-N 1 0 377.913 2.791 20 0 GFADRO CC[NH+](CC)CCOCCNC(=O)Cc1ccc(F)cc1Br ZINC000485469551 564616638 /nfs/dbraw/zinc/61/66/38/564616638.db2.gz UXGOQOLERCYJCY-UHFFFAOYSA-N 1 0 375.282 2.605 20 0 GFADRO C[C@@H]([NH3+])C[C@H](C)NC(=O)NCc1cc(Cl)cc(I)c1 ZINC000521039608 564617818 /nfs/dbraw/zinc/61/78/18/564617818.db2.gz GNDFFVWQAAXMOU-BDAKNGLRSA-N 1 0 395.672 2.870 20 0 GFADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)NCc3ccc(Cl)cc3Cl)CC[C@@H]21 ZINC000550290469 564619075 /nfs/dbraw/zinc/61/90/75/564619075.db2.gz JHXANVLUPPWALA-CJNGLKHVSA-N 1 0 384.307 2.552 20 0 GFADRO CC(C)(O)C[NH+]1CCN(C(=O)CCc2nc3cc(Cl)ccc3s2)CC1 ZINC000521234597 564622371 /nfs/dbraw/zinc/62/23/71/564622371.db2.gz KRGFBWOFNWYNRC-UHFFFAOYSA-N 1 0 381.929 2.797 20 0 GFADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)CCc1nc2cc(Cl)ccc2s1 ZINC000521234607 564622465 /nfs/dbraw/zinc/62/24/65/564622465.db2.gz XIWPQRGOBBJVKG-CYBMUJFWSA-N 1 0 380.945 2.634 20 0 GFADRO C[C@@H](NC(=O)C(=O)N(C)CCC[NH+](C)C)c1cc(F)c(Cl)cc1Cl ZINC000550369583 564622553 /nfs/dbraw/zinc/62/25/53/564622553.db2.gz UCAVWVSAHMURKF-SNVBAGLBSA-N 1 0 378.275 2.720 20 0 GFADRO COCCO[C@H]1COCC[C@@H]1[NH2+]Cc1ccc(Br)c2cccnc12 ZINC000485690684 564622715 /nfs/dbraw/zinc/62/27/15/564622715.db2.gz WKALYIFMUQSDOL-IRXDYDNUSA-N 1 0 395.297 2.907 20 0 GFADRO COCCO[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CCc2cc(Br)ccc2C1 ZINC000485719612 564624305 /nfs/dbraw/zinc/62/43/05/564624305.db2.gz OLQRWTLHKXWNGU-FGTMMUONSA-N 1 0 384.314 2.717 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)[C@H]1CC(=O)Nc2ccc(Br)cc21 ZINC000485752176 564625616 /nfs/dbraw/zinc/62/56/16/564625616.db2.gz SEZXQXAARFNJOK-IPYPFGDCSA-N 1 0 392.297 2.618 20 0 GFADRO OC[C@@]1([C@H]([NH2+]Cc2ccc(I)cc2)C2CC2)CCCO1 ZINC000550502513 564626007 /nfs/dbraw/zinc/62/60/07/564626007.db2.gz JVYVPXJQRFCSBM-HZPDHXFCSA-N 1 0 387.261 2.701 20 0 GFADRO O=C(CC[NH2+]C[C@H](O)COc1ccc(Br)cc1)NC1CCCCC1 ZINC000573199208 564627561 /nfs/dbraw/zinc/62/75/61/564627561.db2.gz OROSHONNWDTJAU-INIZCTEOSA-N 1 0 399.329 2.617 20 0 GFADRO C[NH+](C)CC1CCN(c2ncc(Cn3cc(Br)cn3)s2)CC1 ZINC000485861344 564628057 /nfs/dbraw/zinc/62/80/57/564628057.db2.gz ITSWJBGSDCCWOS-UHFFFAOYSA-N 1 0 384.347 2.928 20 0 GFADRO C[C@@]1(F)C[NH2+]CCN(Cc2ncc(Br)cc2Br)C1 ZINC000573206888 564628469 /nfs/dbraw/zinc/62/84/69/564628469.db2.gz SBZAEHJUIOCJMG-GFCCVEGCSA-N 1 0 381.087 2.740 20 0 GFADRO C[C@H]1CCC[N@H+](CCNC(=O)C(=O)NCCc2cc(Cl)cc(Cl)c2)C1 ZINC000550654329 564628937 /nfs/dbraw/zinc/62/89/37/564628937.db2.gz UEMOWRVRODGIAH-ZDUSSCGKSA-N 1 0 386.323 2.500 20 0 GFADRO CC(C)NS(=O)(=O)NC[C@H](c1ccccc1)N1CCc2sccc2C1 ZINC000485877245 564629494 /nfs/dbraw/zinc/62/94/94/564629494.db2.gz XESOGUGQGCTAAD-QGZVFWFLSA-N 1 0 379.551 2.680 20 0 GFADRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C(=O)NCc2c(Cl)cccc2Cl)C1 ZINC000550723087 564629760 /nfs/dbraw/zinc/62/97/60/564629760.db2.gz KPPGVHLIWWEYFN-ZDUSSCGKSA-N 1 0 386.323 2.704 20 0 GFADRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)C(=O)NCc1cccc(Cl)c1Cl ZINC000550817111 564632378 /nfs/dbraw/zinc/63/23/78/564632378.db2.gz ORYWMYCBQSOATI-CHWSQXEVSA-N 1 0 386.323 2.989 20 0 GFADRO O=C(Nc1ccc(Cl)c(Cl)c1)[C@H]1CCCCN1CCN1CC[NH2+]CC1 ZINC000573325168 564632809 /nfs/dbraw/zinc/63/28/09/564632809.db2.gz WDOVPMDFOVFHEF-QGZVFWFLSA-N 1 0 385.339 2.692 20 0 GFADRO C[C@@H](NC(=O)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1)c1ccc(Br)cc1 ZINC000573343248 564633733 /nfs/dbraw/zinc/63/37/33/564633733.db2.gz JQUIMYAOZLCENC-KCXAZCMYSA-N 1 0 396.329 2.615 20 0 GFADRO CS(=O)(=O)C[C@@H]([NH2+]CCNc1ncc(C(F)(F)F)cc1Cl)C1CC1 ZINC000551063460 564637150 /nfs/dbraw/zinc/63/71/50/564637150.db2.gz QEZILWINBIOBRF-GFCCVEGCSA-N 1 0 385.839 2.579 20 0 GFADRO C[C@H](Cc1ccc(F)c(Br)c1)NC(=O)NCCNc1cc[nH+]cc1 ZINC000486100943 564639420 /nfs/dbraw/zinc/63/94/20/564639420.db2.gz XQFZAIHYBVAJCA-GFCCVEGCSA-N 1 0 395.276 2.747 20 0 GFADRO [NH3+][C@H]1CCO[C@H](C2CCN(CC(=O)Nc3ccc(Br)cc3)CC2)C1 ZINC000573467742 564639784 /nfs/dbraw/zinc/63/97/84/564639784.db2.gz VRUFAQQAUGEWPG-RDJZCZTQSA-N 1 0 396.329 2.606 20 0 GFADRO COc1cc(C(=O)N(C)[C@@H]2C[NH+]3CCC2CC3)cc(OC)c1Br ZINC000522043013 564642470 /nfs/dbraw/zinc/64/24/70/564642470.db2.gz DTWVMAAYJMVHPD-CYBMUJFWSA-N 1 0 383.286 2.633 20 0 GFADRO CCOC(=O)C[C@H](NC(=O)[C@H]1C[N@H+](C)C[C@H]1C)c1ccc(Br)cc1 ZINC000486207568 564643366 /nfs/dbraw/zinc/64/33/66/564643366.db2.gz UVPIUBIBCTYVKW-KCXAZCMYSA-N 1 0 397.313 2.757 20 0 GFADRO CCc1noc(C)c1C[NH2+]C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000573558431 564643546 /nfs/dbraw/zinc/64/35/46/564643546.db2.gz UHOYBHCLYHVOQO-ZDUSSCGKSA-N 1 0 387.249 2.977 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)NCC2(C)CC[NH+](C)CC2)cc1Br ZINC000486215325 564644780 /nfs/dbraw/zinc/64/47/80/564644780.db2.gz MSQHNSDEMXXZDX-UHFFFAOYSA-N 1 0 396.329 2.853 20 0 GFADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]CCOCC(F)(F)C(F)F ZINC000551276835 564644876 /nfs/dbraw/zinc/64/48/76/564644876.db2.gz LIEXUHPKVKPNST-SECBINFHSA-N 1 0 389.187 2.506 20 0 GFADRO CN(C(=O)NCc1nc2c(cccc2Br)[nH]1)[C@H]1CCC[NH2+]CC1 ZINC000573583366 564645224 /nfs/dbraw/zinc/64/52/24/564645224.db2.gz BQZPQBPGUWXELP-NSHDSACASA-N 1 0 380.290 2.609 20 0 GFADRO CCc1ccc(-c2csc(NC(=O)C(=O)NC[C@@H]3CCC[N@@H+]3C)n2)s1 ZINC000573615941 564646018 /nfs/dbraw/zinc/64/60/18/564646018.db2.gz SMVZIIJZXXJHPM-NSHDSACASA-N 1 0 378.523 2.583 20 0 GFADRO O=C(N[C@@H]1CCN(c2ccc(Br)cc2)C1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000522287216 564649332 /nfs/dbraw/zinc/64/93/32/564649332.db2.gz KRRCHBPJZWDFJJ-CABCVRRESA-N 1 0 393.329 2.564 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)N[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000522287219 564649353 /nfs/dbraw/zinc/64/93/53/564649353.db2.gz KRRCHBPJZWDFJJ-LSDHHAIUSA-N 1 0 393.329 2.564 20 0 GFADRO C[C@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccc(CCn2cc(Br)cn2)cc1 ZINC000573718888 564650540 /nfs/dbraw/zinc/65/05/40/564650540.db2.gz HRIQUSCEFNSSSZ-WBMJQRKESA-N 1 0 377.286 2.825 20 0 GFADRO CC(C)c1ccc(Cl)c(S(=O)(=O)N2CCC[C@@H]2CN2CCOCC2)c1 ZINC000551514413 564652340 /nfs/dbraw/zinc/65/23/40/564652340.db2.gz LDMLYAFUPBGEGI-MRXNPFEDSA-N 1 0 386.945 2.949 20 0 GFADRO COC(C)(C)CC(=O)Nc1cc(Br)ccc1N1CC[NH+](C)CC1 ZINC000486436650 564652421 /nfs/dbraw/zinc/65/24/21/564652421.db2.gz SQSPVXMAMIWWOB-UHFFFAOYSA-N 1 0 384.318 2.955 20 0 GFADRO Cc1ccc(-n2cnnc2SCC(=O)NC(C)(C)C[NH+](C)C)cc1Cl ZINC000457213333 564652544 /nfs/dbraw/zinc/65/25/44/564652544.db2.gz VBQJTYJFBWTUMC-UHFFFAOYSA-N 1 0 381.933 2.778 20 0 GFADRO C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000522565184 564652981 /nfs/dbraw/zinc/65/29/81/564652981.db2.gz ZZZOJNDXMPYFCP-UONOGXRCSA-N 1 0 389.323 2.970 20 0 GFADRO C[C@H]([NH3+])C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2Br)CC1 ZINC000573800821 564655471 /nfs/dbraw/zinc/65/54/71/564655471.db2.gz BEYTWIKKAPAPBM-JTQLQIEISA-N 1 0 395.750 2.992 20 0 GFADRO O=C(C[NH2+]C[C@H]1CCSC1)Nc1ccc(I)cc1 ZINC000551581442 564656459 /nfs/dbraw/zinc/65/64/59/564656459.db2.gz DGFQRNFKQZFHIM-SNVBAGLBSA-N 1 0 376.263 2.572 20 0 GFADRO CS(=O)(=O)N[C@@H]1CCC[C@@H]1C[NH2+]Cc1c(F)cccc1OC(F)(F)F ZINC000551597264 564656979 /nfs/dbraw/zinc/65/69/79/564656979.db2.gz PEHZRQCDFGPEKX-ZWNOBZJWSA-N 1 0 384.395 2.532 20 0 GFADRO O=S1(=O)CCO[C@H](C[NH2+][C@@H]2CC[C@@H](c3ccc(C(F)(F)F)cc3)C2)C1 ZINC000573883477 564657729 /nfs/dbraw/zinc/65/77/29/564657729.db2.gz DAOJTECUFADZMB-FVQBIDKESA-N 1 0 377.428 2.745 20 0 GFADRO COc1ccc(Br)c(C(=O)NCCC[NH2+]C[C@H]2CCCOC2)c1 ZINC000573871316 564657861 /nfs/dbraw/zinc/65/78/61/564657861.db2.gz WNQVPXVWIGNCQC-CYBMUJFWSA-N 1 0 385.302 2.594 20 0 GFADRO Cn1ccnc1Sc1ncc(C(=O)N[C@H](C[NH3+])C2CCCC2)cc1Cl ZINC000573919355 564659754 /nfs/dbraw/zinc/65/97/54/564659754.db2.gz HENLHYFXDURIGW-CQSZACIVSA-N 1 0 379.917 2.867 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)N2CCN(c3cccc(Br)c3)CC2)CC[N@@H+]1C ZINC000573941225 564660773 /nfs/dbraw/zinc/66/07/73/564660773.db2.gz XGFUOZQPYFACRK-GDBMZVCRSA-N 1 0 395.345 2.763 20 0 GFADRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)c2cc(F)ccc2I)C1 ZINC000523073222 564661362 /nfs/dbraw/zinc/66/13/62/564661362.db2.gz QVBXXZJEJDYHLI-NSHDSACASA-N 1 0 390.240 2.890 20 0 GFADRO C[C@H](NC(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1)c1ccccc1Br ZINC000457472663 564662856 /nfs/dbraw/zinc/66/28/56/564662856.db2.gz XNIRGBWBCXSTEX-MJBXVCDLSA-N 1 0 384.318 2.607 20 0 GFADRO CC1CCC([NH+]2CCN(C(=O)NCc3n[nH]cc3Br)CC2)CC1 ZINC000523389807 564665894 /nfs/dbraw/zinc/66/58/94/564665894.db2.gz HCLWPGFPGNJYGN-UHFFFAOYSA-N 1 0 384.322 2.578 20 0 GFADRO CC[NH+](CC)[C@H](CNC(=O)c1csc(-c2nc[nH]n2)n1)c1ccsc1 ZINC000523381320 564665901 /nfs/dbraw/zinc/66/59/01/564665901.db2.gz BNTOKBWCBXVJQK-CYBMUJFWSA-N 1 0 376.511 2.803 20 0 GFADRO CN(C(=O)c1cn(Cc2ccc(Cl)cc2Cl)nn1)[C@@H]1CCC[N@H+](C)C1 ZINC000457593557 564666286 /nfs/dbraw/zinc/66/62/86/564666286.db2.gz HPMRYSOKIHMZAG-CQSZACIVSA-N 1 0 382.295 2.799 20 0 GFADRO CC[C@H](C)[C@H]([NH3+])C(=O)N1C[C@H](C(=O)OC)[C@@H](c2ccc(Br)cc2)C1 ZINC000574042941 564666298 /nfs/dbraw/zinc/66/62/98/564666298.db2.gz VCRUDFQXMLZJDK-MWNCTCPHSA-N 1 0 397.313 2.538 20 0 GFADRO C[NH+](C)[C@H]1CCN(c2ccc(NC(=O)c3cc(Br)co3)nc2)C1 ZINC000457685036 564669415 /nfs/dbraw/zinc/66/94/15/564669415.db2.gz SDEXDAKPGIHEIM-ZDUSSCGKSA-N 1 0 379.258 2.830 20 0 GFADRO CN(C(=O)c1cc(=O)c2cc(Br)ccc2[nH]1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000523649926 564670127 /nfs/dbraw/zinc/67/01/27/564670127.db2.gz WFHOBLBJQUXKJL-CYBMUJFWSA-N 1 0 390.281 2.599 20 0 GFADRO COc1c(Cl)cc(NC(=O)C(=O)N[C@H](C)C[NH+]2CCCCC2)cc1Cl ZINC000523630652 564670282 /nfs/dbraw/zinc/67/02/82/564670282.db2.gz XBTINSLANQHFCU-LLVKDONJSA-N 1 0 388.295 2.931 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)[C@H]2CCc3cc(Br)ccc32)CC12CCOCC2 ZINC000574401390 564672506 /nfs/dbraw/zinc/67/25/06/564672506.db2.gz KOPWWQDAXQETFJ-YOEHRIQHSA-N 1 0 393.325 2.693 20 0 GFADRO O=C(NCC1(c2cccc(Br)c2)CCCC1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000574426532 564673502 /nfs/dbraw/zinc/67/35/02/564673502.db2.gz MDFSJHRDNZZHPP-ZSHCYNCHSA-N 1 0 378.314 2.778 20 0 GFADRO Cc1c(Br)cccc1S(=O)(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000487118851 564676220 /nfs/dbraw/zinc/67/62/20/564676220.db2.gz MNHFDOWSVJHMBH-STQMWFEESA-N 1 0 375.332 2.909 20 0 GFADRO Cc1ccc(Br)c(S(=O)(=O)NCC[NH2+][C@@H](C)CC2CC2)c1 ZINC000552090441 564676424 /nfs/dbraw/zinc/67/64/24/564676424.db2.gz KFKNSSBSCKLMEA-LBPRGKRZSA-N 1 0 375.332 2.814 20 0 GFADRO C[NH+](C)C[C@H](O)COc1ccc(NC(=O)COc2ccsc2Cl)cc1 ZINC000552093392 564676462 /nfs/dbraw/zinc/67/64/62/564676462.db2.gz HJEXEJDPFFZSME-ZDUSSCGKSA-N 1 0 384.885 2.720 20 0 GFADRO COc1cc(OC)c([C@H](C)[NH2+]C[C@@H]2CCCCN2S(C)(=O)=O)cc1Cl ZINC000552100362 564677053 /nfs/dbraw/zinc/67/70/53/564677053.db2.gz HLDVEZUYVLEQEN-STQMWFEESA-N 1 0 390.933 2.822 20 0 GFADRO CN(Cc1c(F)cccc1Cl)S(=O)(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000487142574 564677409 /nfs/dbraw/zinc/67/74/09/564677409.db2.gz YORORFJVBNUYNR-QWHCGFSZSA-N 1 0 377.913 2.618 20 0 GFADRO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)NCCOc1ccc(Br)cc1 ZINC000524136996 564677688 /nfs/dbraw/zinc/67/76/88/564677688.db2.gz XGJASQJBKPSJOS-INIZCTEOSA-N 1 0 384.318 2.810 20 0 GFADRO C[N@@H+]1CC[C@H]2CCN(C(=O)c3c(O)cnc4c(Br)cccc43)[C@H]2C1 ZINC000487175571 564677962 /nfs/dbraw/zinc/67/79/62/564677962.db2.gz ZWVZPHXVYFUGFP-FZMZJTMJSA-N 1 0 390.281 2.869 20 0 GFADRO Cc1cc(Br)cn2cc(CNC(=O)CC3CC[NH+](C)CC3)nc12 ZINC000487161206 564678260 /nfs/dbraw/zinc/67/82/60/564678260.db2.gz YUBOBALWRVZZOX-UHFFFAOYSA-N 1 0 379.302 2.753 20 0 GFADRO C[NH+](C)C1(CNC(=O)N[C@@H]2C[C@@H]2c2cccc(Br)c2)CCOCC1 ZINC000524359092 564680846 /nfs/dbraw/zinc/68/08/46/564680846.db2.gz VEIDMTVCHXGSKT-HZPDHXFCSA-N 1 0 396.329 2.715 20 0 GFADRO C[N@@H+]1CCC[C@H](CCNC(=O)NCCOc2cccc(Br)c2)C1 ZINC000457961541 564681480 /nfs/dbraw/zinc/68/14/80/564681480.db2.gz ZIVGAQRZAYRZOG-CQSZACIVSA-N 1 0 384.318 2.859 20 0 GFADRO O=S(=O)(c1cccc(Br)c1F)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000574940280 564688591 /nfs/dbraw/zinc/68/85/91/564688591.db2.gz BYWSYRQTVVSTAZ-LBPRGKRZSA-N 1 0 391.306 2.837 20 0 GFADRO OC[C@@]1([C@H]([NH2+]Cc2cc(Br)c3c(c2)OCCO3)C2CC2)CCCO1 ZINC000552425430 564690296 /nfs/dbraw/zinc/69/02/96/564690296.db2.gz ULYFQGBPDVFVOB-QZTJIDSGSA-N 1 0 398.297 2.630 20 0 GFADRO [NH3+]C[C@@H]1CC[C@H](NC(=O)[C@@H](c2ccc(Cl)cc2Cl)N2CCOCC2)C1 ZINC000575122373 564692371 /nfs/dbraw/zinc/69/23/71/564692371.db2.gz LPIUCQKYVSRPSM-HACGYAERSA-N 1 0 386.323 2.610 20 0 GFADRO C[N@@H+]1CCC[C@@H](CCNC(=O)c2cc(F)ccc2I)C1 ZINC000458179989 564692492 /nfs/dbraw/zinc/69/24/92/564692492.db2.gz YBXFDFCROQTRJY-NSHDSACASA-N 1 0 390.240 2.892 20 0 GFADRO CO[C@@H]1CCN(C(=O)c2cc(C)nc3cc(Br)ccc32)[C@@H](C[NH3+])C1 ZINC000575184935 564693371 /nfs/dbraw/zinc/69/33/71/564693371.db2.gz HLHJBLAUGUTNDK-ZIAGYGMSSA-N 1 0 392.297 2.884 20 0 GFADRO Cc1cc(C)c(C[NH2+]C[C@H](O)COc2cccc(Br)c2)c(=O)[nH]1 ZINC000552497352 564693405 /nfs/dbraw/zinc/69/34/05/564693405.db2.gz HMDXCQORBOTSRP-AWEZNQCLSA-N 1 0 381.270 2.696 20 0 GFADRO C[N@@H+]1CCC[C@H](CCNC(=O)c2ccc(I)cc2F)C1 ZINC000458205990 564693455 /nfs/dbraw/zinc/69/34/55/564693455.db2.gz LRDXZKLKWDVBLV-LLVKDONJSA-N 1 0 390.240 2.892 20 0 GFADRO CC(=O)c1cc(Br)ccc1OCC(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000458207987 564694216 /nfs/dbraw/zinc/69/42/16/564694216.db2.gz JKANPYREHAOEFL-CQSZACIVSA-N 1 0 397.313 2.879 20 0 GFADRO C[N@@H+]1CCC[C@@H](CCNC(=O)C2(c3cccc(Br)c3)CC(=O)C2)C1 ZINC000458228461 564694293 /nfs/dbraw/zinc/69/42/93/564694293.db2.gz UOXYWWODOWXNKA-AWEZNQCLSA-N 1 0 393.325 2.898 20 0 GFADRO CCOCCOc1ccc(Br)cc1C[NH2+]C1CCN(C(C)=O)CC1 ZINC000525180894 564694672 /nfs/dbraw/zinc/69/46/72/564694672.db2.gz AZQKTVQQEPSYOF-UHFFFAOYSA-N 1 0 399.329 2.965 20 0 GFADRO COC(=O)C[C@@H](NC(=O)CCCC[NH+](C)C)c1ccc(Br)cc1 ZINC000552539638 564695067 /nfs/dbraw/zinc/69/50/67/564695067.db2.gz UVJLHBRSMRDPSY-OAHLLOKOSA-N 1 0 385.302 2.901 20 0 GFADRO Cc1cc(NC(=O)CNC(=O)c2ccc(Br)o2)ccc1C[NH+](C)C ZINC000458280941 564696402 /nfs/dbraw/zinc/69/64/02/564696402.db2.gz ASLCMUBCZHBHKI-UHFFFAOYSA-N 1 0 394.269 2.781 20 0 GFADRO COCC[NH2+]C1CCN([C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)CC1 ZINC000575412057 564698713 /nfs/dbraw/zinc/69/87/13/564698713.db2.gz LAZCLDQVWPLZRK-KRWDZBQOSA-N 1 0 386.323 2.799 20 0 GFADRO COc1ccc(Br)c(C(=O)NCCC[NH2+][C@H]2CCCOCC2)c1 ZINC000552730160 564698987 /nfs/dbraw/zinc/69/89/87/564698987.db2.gz XBMCFRSQRTXYRI-ZDUSSCGKSA-N 1 0 385.302 2.736 20 0 GFADRO O=C(N[C@@H]1COc2c1ccc(Cl)c2Cl)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000458460661 564702392 /nfs/dbraw/zinc/70/23/92/564702392.db2.gz IWEGMYVNICLSMF-BXUZGUMPSA-N 1 0 388.295 2.573 20 0 GFADRO C[NH+](C)CCOC1CCN(Cc2ccc(I)cc2)CC1 ZINC000552828340 564702530 /nfs/dbraw/zinc/70/25/30/564702530.db2.gz QSPCHRIXQWBYNK-UHFFFAOYSA-N 1 0 388.293 2.834 20 0 GFADRO COCC[C@H](Cc1cccc(Br)c1)C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000525483093 564702655 /nfs/dbraw/zinc/70/26/55/564702655.db2.gz YQZKNGYFUBYFTB-NVXWUHKLSA-N 1 0 383.330 2.855 20 0 GFADRO COCCN(C)S(=O)(=O)[C@H]1CCC[N@H+](CCCc2ccccc2Cl)C1 ZINC000488102760 564703684 /nfs/dbraw/zinc/70/36/84/564703684.db2.gz HSKIXGPAZUDKBA-KRWDZBQOSA-N 1 0 388.961 2.645 20 0 GFADRO COCCC[N@H+](C)CCNC(=O)NCc1ccc(-c2csc(C)n2)s1 ZINC000525770162 564707957 /nfs/dbraw/zinc/70/79/57/564707957.db2.gz CGKGNPOKTKAFBS-UHFFFAOYSA-N 1 0 382.555 2.948 20 0 GFADRO C[C@@H]([NH2+]C[C@H](c1ccc(Cl)cc1)N(C)C)c1ccc(S(N)(=O)=O)cc1 ZINC000553098202 564709603 /nfs/dbraw/zinc/70/96/03/564709603.db2.gz NULCRGNRMIQDSW-FZKQIMNGSA-N 1 0 381.929 2.941 20 0 GFADRO C[C@@H](NC(=O)NC[C@H]1CCC[N@@H+]1CCCO)c1ccc(Br)s1 ZINC000458690646 564712369 /nfs/dbraw/zinc/71/23/69/564712369.db2.gz OPTFCNJDXLTCQA-VXGBXAGGSA-N 1 0 390.347 2.718 20 0 GFADRO C[C@@H]1[C@H](C)[S@@](=O)CCN1C(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000525981777 564714221 /nfs/dbraw/zinc/71/42/21/564714221.db2.gz JQDVVPUXGDJGMJ-OURXLALMSA-N 1 0 383.583 2.682 20 0 GFADRO CCC[NH+]1CCC(NC(=O)Cc2ccc(I)cc2)CC1 ZINC000488577255 564714932 /nfs/dbraw/zinc/71/49/32/564714932.db2.gz XFCRDBZOZKFDHN-UHFFFAOYSA-N 1 0 386.277 2.824 20 0 GFADRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)c2nc3ccc(Br)cn3n2)C1 ZINC000576607147 564716367 /nfs/dbraw/zinc/71/63/67/564716367.db2.gz DDUHCFNOCRVVKC-CYBMUJFWSA-N 1 0 394.317 2.590 20 0 GFADRO CC(C)Cc1ncnc(NC[C@@H](C)[N@H+](C)C2CC2)c1I ZINC000553366529 564717013 /nfs/dbraw/zinc/71/70/13/564717013.db2.gz UQKQTAGHNFFEMK-LLVKDONJSA-N 1 0 388.297 3.174 20 0 GFADRO CCN1CCN(C(=O)c2cc(Br)cnc2OCC2CC2)[C@@H](C)C1 ZINC000553331992 564716683 /nfs/dbraw/zinc/71/66/83/564716683.db2.gz GNARBFKBVLSTDS-LBPRGKRZSA-N 1 0 382.302 2.799 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CCN(S(=O)(=O)c2ccc3ccccc3c2Br)C1 ZINC000576755084 564718503 /nfs/dbraw/zinc/71/85/03/564718503.db2.gz OUXMTTJRFVVCSX-YPMHNXCESA-N 1 0 383.311 2.960 20 0 GFADRO O=S(=O)(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1cc(Br)c(F)cc1F ZINC000488850044 564722266 /nfs/dbraw/zinc/72/22/66/564722266.db2.gz FQJNOLVJKVMEBB-STQMWFEESA-N 1 0 395.269 2.632 20 0 GFADRO CO[C@@H]1CCN(C(=O)CCC(=O)c2cc(Cl)sc2Cl)[C@H](C[NH3+])C1 ZINC000576988830 564722684 /nfs/dbraw/zinc/72/26/84/564722684.db2.gz DDKZUHIKEZRAPH-VHSXEESVSA-N 1 0 379.309 2.983 20 0 GFADRO CC[C@H]1C[N@H+](CC)CCN1C(=O)NCc1nc(C)c(Br)s1 ZINC000458919610 564724088 /nfs/dbraw/zinc/72/40/88/564724088.db2.gz DTABKBLDVMMTKB-NSHDSACASA-N 1 0 375.336 2.840 20 0 GFADRO C[C@@H](CC[NH+]1CCN(C)CC1)Nc1ccc(Br)c(C(F)(F)F)n1 ZINC000553524093 564724222 /nfs/dbraw/zinc/72/42/22/564724222.db2.gz XAURXETXGBKADG-NSHDSACASA-N 1 0 395.267 3.301 20 0 GFADRO Cc1nc(CNC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)sc1Br ZINC000458930784 564724194 /nfs/dbraw/zinc/72/41/94/564724194.db2.gz PFKROESPJYYUFE-FOSCPWQOSA-N 1 0 387.347 2.981 20 0 GFADRO COc1cc(Cl)c(Cl)cc1C(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000488953243 564725063 /nfs/dbraw/zinc/72/50/63/564725063.db2.gz XQKKQGRAIPDTAY-GFCCVEGCSA-N 1 0 375.296 2.825 20 0 GFADRO Cc1nc(CNC(=O)NC(C)(C)C[NH+]2CCCC2)sc1Br ZINC000458935996 564725031 /nfs/dbraw/zinc/72/50/31/564725031.db2.gz WSKKQUIZEDXEQU-UHFFFAOYSA-N 1 0 375.336 2.888 20 0 GFADRO CC[N@@H+]1CCC[C@H](CNC(=O)Cc2ccc(I)cc2)C1 ZINC000489003695 564726320 /nfs/dbraw/zinc/72/63/20/564726320.db2.gz OFAVPFBEKWXDDF-CQSZACIVSA-N 1 0 386.277 2.682 20 0 GFADRO C[C@]1(CNC(=O)c2cnn(-c3cccc(Br)c3)c2)CCC[NH2+]C1 ZINC000577171470 564727247 /nfs/dbraw/zinc/72/72/47/564727247.db2.gz OISJLGDGVZPTBK-KRWDZBQOSA-N 1 0 377.286 2.754 20 0 GFADRO Cc1c(Br)c2ccccc2n1CC(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000577198117 564728822 /nfs/dbraw/zinc/72/88/22/564728822.db2.gz GVBUBKXSNICCIA-KBPBESRZSA-N 1 0 376.298 2.780 20 0 GFADRO CC(C)[NH2+]CCCNC(=O)c1ncc(Br)cc1Br ZINC000577219395 564730263 /nfs/dbraw/zinc/73/02/63/564730263.db2.gz BSNQVUBKYPKTII-UHFFFAOYSA-N 1 0 379.096 2.725 20 0 GFADRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]CC(=O)Nc3ccccc3Br)[C@H]2C1 ZINC000577244637 564730990 /nfs/dbraw/zinc/73/09/90/564730990.db2.gz ZNQMFWQXYJVDRY-DZKIICNBSA-N 1 0 394.313 2.624 20 0 GFADRO C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)[C@@H]1CCOC1 ZINC000577245641 564731177 /nfs/dbraw/zinc/73/11/77/564731177.db2.gz PSPRTVYSYIKNJN-CQSZACIVSA-N 1 0 395.352 2.866 20 0 GFADRO O=S(=O)(NC1CC[NH+](C2CCCC2)CC1)c1cnccc1C(F)(F)F ZINC000527192701 564733298 /nfs/dbraw/zinc/73/32/98/564733298.db2.gz PZDKNJKCHCOPGP-UHFFFAOYSA-N 1 0 377.432 2.786 20 0 GFADRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)NCc2cn3cc(Br)ccc3n2)C1 ZINC000489314243 564734927 /nfs/dbraw/zinc/73/49/27/564734927.db2.gz AWKAYWYAUNHORW-HIFRSBDPSA-N 1 0 394.317 2.769 20 0 GFADRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)Cc1cccc(I)c1 ZINC000553767823 564735271 /nfs/dbraw/zinc/73/52/71/564735271.db2.gz KSBYDIKIQFFFLG-CJNGLKHVSA-N 1 0 398.288 2.919 20 0 GFADRO C[N@@H+]1CCC[C@H](CCNC(=O)N[C@H](CO)c2cccc(Br)c2)C1 ZINC000459243872 564737616 /nfs/dbraw/zinc/73/76/16/564737616.db2.gz AFQMCDCKKQZZLR-CZUORRHYSA-N 1 0 384.318 2.514 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC000577884638 564738056 /nfs/dbraw/zinc/73/80/56/564738056.db2.gz TXGOZYSIOGHFNS-GFCCVEGCSA-N 1 0 382.302 2.544 20 0 GFADRO C[N@@H+]1CCC[C@@H](CCNC(=O)N(CCO)Cc2cccc(Br)c2)C1 ZINC000459286684 564738359 /nfs/dbraw/zinc/73/83/59/564738359.db2.gz FPCAMIQEMPJZGS-HNNXBMFYSA-N 1 0 398.345 2.685 20 0 GFADRO [NH3+]C[C@H]1c2ccccc2CCN1S(=O)(=O)c1cc(F)ccc1Br ZINC000577869319 564738400 /nfs/dbraw/zinc/73/84/00/564738400.db2.gz FBZDCNQIWUQQPH-HNNXBMFYSA-N 1 0 399.285 2.835 20 0 GFADRO CCS(=O)(=O)N1CCC(C[NH2+][C@@H](C)c2ccc(Br)cn2)CC1 ZINC000578063728 564739933 /nfs/dbraw/zinc/73/99/33/564739933.db2.gz DENHHTIHLAONAQ-LBPRGKRZSA-N 1 0 390.347 2.556 20 0 GFADRO CSc1ccccc1C[C@@H](C)[NH2+]C[C@@H]1CCCCN1S(=O)(=O)N(C)C ZINC000578059332 564740147 /nfs/dbraw/zinc/74/01/47/564740147.db2.gz KDKRRGAKFNQQLI-WBVHZDCISA-N 1 0 385.599 2.590 20 0 GFADRO C[C@@H]1CN(Cc2cccc(O)c2Br)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000459341910 564741227 /nfs/dbraw/zinc/74/12/27/564741227.db2.gz OUOCYEBCTWHNGN-ZBFHGGJFSA-N 1 0 382.346 2.613 20 0 GFADRO CC(C)(C)[C@H](CO)[NH2+]C[C@H](O)COc1ccc(Cl)cc1Br ZINC000578140859 564741326 /nfs/dbraw/zinc/74/13/26/564741326.db2.gz BAZYMEIMRRVEMH-FZMZJTMJSA-N 1 0 380.710 2.839 20 0 GFADRO CSc1nnc(CNC(=O)[C@H]2CCC[N@H+](Cc3cccc(F)c3)C2)s1 ZINC000527365131 564742050 /nfs/dbraw/zinc/74/20/50/564742050.db2.gz QSJBGAGQGJTOIZ-ZDUSSCGKSA-N 1 0 380.514 2.928 20 0 GFADRO O=C(NCCC[NH2+]C1CCN(C2CC2)CC1)c1cccc(Br)c1 ZINC000459392577 564742625 /nfs/dbraw/zinc/74/26/25/564742625.db2.gz DELJKKAZHSHESM-UHFFFAOYSA-N 1 0 380.330 2.785 20 0 GFADRO CN(C)[C@]1(C[NH2+]C[C@H](O)COc2ccc(Cl)cc2Cl)CCSC1 ZINC000578350467 564743130 /nfs/dbraw/zinc/74/31/30/564743130.db2.gz OWAMNSKXRJGXSG-BBRMVZONSA-N 1 0 379.353 2.760 20 0 GFADRO FC(F)(F)c1cnc(NCC[NH2+][C@H](C2CC2)[C@@H]2CNCCO2)c(Cl)c1 ZINC000578348165 564743458 /nfs/dbraw/zinc/74/34/58/564743458.db2.gz QTKMGYNUZRMFBC-UONOGXRCSA-N 1 0 378.826 2.522 20 0 GFADRO CC1=CCC[C@H](C)[C@@H]1C[NH2+]Cc1ccc(S(=O)(=O)N2CCOCC2)s1 ZINC000527494964 564743967 /nfs/dbraw/zinc/74/39/67/564743967.db2.gz UAGMSAKSGCSRAG-DOTOQJQBSA-N 1 0 384.567 2.851 20 0 GFADRO CCOc1cc(C[NH2+][C@H]2CCc3nc(CC)nn3C2)cc(Br)c1O ZINC000459405378 564744217 /nfs/dbraw/zinc/74/42/17/564744217.db2.gz SKKRCORZGRNNPN-LBPRGKRZSA-N 1 0 395.301 2.812 20 0 GFADRO CCOc1cc(C[NH2+][C@@H]2CCO[C@]3(CCOC3)C2)cc(Br)c1O ZINC000459464099 564746092 /nfs/dbraw/zinc/74/60/92/564746092.db2.gz MFYNKHANLOBEDC-CXAGYDPISA-N 1 0 386.286 2.981 20 0 GFADRO CO[C@@H]1CCN(C(=O)c2cc3sc(N4CCCC4)nc3s2)[C@H](C[NH3+])C1 ZINC000579343000 564746829 /nfs/dbraw/zinc/74/68/29/564746829.db2.gz DHJYYEOWAZTJSW-NWDGAFQWSA-N 1 0 380.539 2.536 20 0 GFADRO CCOc1cc(C[NH2+]CCn2cnnc2C2CC2)cc(Br)c1O ZINC000459489240 564747348 /nfs/dbraw/zinc/74/73/48/564747348.db2.gz XLYOCVIZOOMFGV-UHFFFAOYSA-N 1 0 381.274 2.812 20 0 GFADRO CCCN1C[C@H](C[NH2+]CCC(=O)Nc2cccc(Br)c2)CC1=O ZINC000579463605 564748402 /nfs/dbraw/zinc/74/84/02/564748402.db2.gz BMPHJPNACGUFAD-ZDUSSCGKSA-N 1 0 382.302 2.626 20 0 GFADRO Cc1[nH]c(=O)c(Br)cc1C(=O)N1CC[N@@H+]([C@@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000554129079 564751157 /nfs/dbraw/zinc/75/11/57/564751157.db2.gz YTHSLYFGJHTAFT-ZIBATOQPSA-N 1 0 382.302 2.660 20 0 GFADRO Fc1cc(Br)cnc1CNCc1ccc(N2CCOCC2)nc1 ZINC000527634171 564751749 /nfs/dbraw/zinc/75/17/49/564751749.db2.gz BNKKERXYJDCKHB-UHFFFAOYSA-N 1 0 381.249 2.505 20 0 GFADRO CCC[NH+]1CCC(NC(=O)NCc2cc(Br)cnc2OC)CC1 ZINC000527642546 564753097 /nfs/dbraw/zinc/75/30/97/564753097.db2.gz GTBUCNOOLITRGS-UHFFFAOYSA-N 1 0 385.306 2.526 20 0 GFADRO COC[C@@H]([NH2+]C[C@]1(N2CCOCC2)CCSC1)c1cccc(Cl)c1F ZINC000554350092 564757709 /nfs/dbraw/zinc/75/77/09/564757709.db2.gz ZRYBKIOHCNYCIL-SJLPKXTDSA-N 1 0 388.936 2.964 20 0 GFADRO Fc1ccc(Br)c(C[NH2+]CC2(N3CCOCC3)CCOCC2)c1 ZINC000459717560 564758591 /nfs/dbraw/zinc/75/85/91/564758591.db2.gz RKTPZNBLATWDBJ-UHFFFAOYSA-N 1 0 387.293 2.559 20 0 GFADRO O=C(CNC(=O)C[NH2+]C1(C2CCC2)CCC1)Nc1ccccc1Br ZINC000459758843 564760944 /nfs/dbraw/zinc/76/09/44/564760944.db2.gz IRLSBIZQHRVRAK-UHFFFAOYSA-N 1 0 394.313 2.816 20 0 GFADRO C[C@H]([NH2+]C[C@@H](O)COc1ccc(Cl)cc1Br)c1ccn(C)n1 ZINC000459772664 564761189 /nfs/dbraw/zinc/76/11/89/564761189.db2.gz BYOCUUHXDDYRCL-CMPLNLGQSA-N 1 0 388.693 2.927 20 0 GFADRO C[C@H](CNS(=O)(=O)Cc1ccc(Cl)cc1Br)C[NH+](C)C ZINC000490064282 564762045 /nfs/dbraw/zinc/76/20/45/564762045.db2.gz PIECSVHJUWVOHL-SNVBAGLBSA-N 1 0 383.739 2.720 20 0 GFADRO O=C(NC[C@@H]1[NH2+]CCc2ccccc21)[C@H]1COc2ccc(Br)cc21 ZINC000580542708 564763415 /nfs/dbraw/zinc/76/34/15/564763415.db2.gz PIKHGBKERUVEAV-IRXDYDNUSA-N 1 0 387.277 2.928 20 0 GFADRO C[C@@H]([NH2+]C[C@H]1CCCN1S(C)(=O)=O)c1cc(F)c(Br)cc1F ZINC000527874888 564763521 /nfs/dbraw/zinc/76/35/21/564763521.db2.gz HXWRZSUPJVSBDX-NXEZZACHSA-N 1 0 397.285 2.802 20 0 GFADRO CCC[N@H+](CC)C[C@@H](C)NC(=O)NCC(=O)Nc1ccc(Br)cc1 ZINC000580608731 564767022 /nfs/dbraw/zinc/76/70/22/564767022.db2.gz MWSNWAMWHARYGZ-CYBMUJFWSA-N 1 0 399.333 2.807 20 0 GFADRO O=C(NC1CC[NH+](Cc2ccccn2)CC1)c1cc(O)cc(Br)c1 ZINC000528034524 564767326 /nfs/dbraw/zinc/76/73/26/564767326.db2.gz MIDUDFJSIKUZDS-UHFFFAOYSA-N 1 0 390.281 2.944 20 0 GFADRO C[C@H]([NH2+][C@@H]1[C@H](C)O[C@H](C)[C@H]1C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000528004957 564767370 /nfs/dbraw/zinc/76/73/70/564767370.db2.gz HTFGFYIOTQVGKJ-QSJCVTFJSA-N 1 0 391.331 2.559 20 0 GFADRO O=S(=O)(N[C@H]1CC[NH2+]C12CCC2)c1cc(Br)sc1Cl ZINC000528050904 564768002 /nfs/dbraw/zinc/76/80/02/564768002.db2.gz GMHIUXWHUIIOQZ-QMMMGPOBSA-N 1 0 385.736 2.727 20 0 GFADRO Fc1ccc(I)c(F)c1CN1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000581072271 564786776 /nfs/dbraw/zinc/78/67/76/564786776.db2.gz VXCLIIBXJTUOJL-NXEZZACHSA-N 1 0 378.204 2.611 20 0 GFADRO CS[C@H]1CN(C(=O)COc2ccccc2Br)C[C@@H]1[NH+]1CCCC1 ZINC000460112962 564769834 /nfs/dbraw/zinc/76/98/34/564769834.db2.gz RNJZIOQPFVVBKT-HOCLYGCPSA-N 1 0 399.354 2.866 20 0 GFADRO CC(C)[NH2+]CCCNC(=O)C(=O)Nc1ccc(Br)c(Cl)c1 ZINC000580702704 564770474 /nfs/dbraw/zinc/77/04/74/564770474.db2.gz PWNPQOIUFBVFOB-UHFFFAOYSA-N 1 0 376.682 2.545 20 0 GFADRO Cc1c(Br)cccc1S(=O)(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000580713807 564771001 /nfs/dbraw/zinc/77/10/01/564771001.db2.gz LSENOUMCYDZGSV-JOCQHMNTSA-N 1 0 375.332 2.801 20 0 GFADRO C[N@@H+]1CC[C@@](O)(CNC(=O)NCC2(c3ccc(Cl)cc3Cl)CCC2)C1 ZINC000460233120 564772330 /nfs/dbraw/zinc/77/23/30/564772330.db2.gz QBENGOPDOHKZHH-GOSISDBHSA-N 1 0 386.323 2.781 20 0 GFADRO C[N@@H+]1CC[C@@]2(CCN(C(=O)NCc3cc(F)c(Br)cc3F)C2)C1 ZINC000528249484 564774276 /nfs/dbraw/zinc/77/42/76/564774276.db2.gz CBHNBNZGYSAPPR-MRXNPFEDSA-N 1 0 388.256 2.965 20 0 GFADRO CCCC[N@H+](C)C[C@@H](C)NS(=O)(=O)c1ccc(OC)c(Br)c1 ZINC000580802320 564774866 /nfs/dbraw/zinc/77/48/66/564774866.db2.gz UXPFKNJAUXQWME-GFCCVEGCSA-N 1 0 393.347 2.856 20 0 GFADRO COc1ccc(Br)cc1C(=O)N1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000580827948 564775279 /nfs/dbraw/zinc/77/52/79/564775279.db2.gz JCYMCOHWPCZMJO-RDJZCZTQSA-N 1 0 397.313 2.816 20 0 GFADRO COC(=O)c1cc(C[NH2+]C[C@@H](CO)Cc2ccccc2Br)cn1C ZINC000554864569 564775779 /nfs/dbraw/zinc/77/57/79/564775779.db2.gz BTVGYIRUQYPKBD-AWEZNQCLSA-N 1 0 395.297 2.515 20 0 GFADRO CCC[C@@H]1C[NH2+]CCN1C(=O)c1cnn(-c2cccc(Br)c2)c1 ZINC000580832892 564776425 /nfs/dbraw/zinc/77/64/25/564776425.db2.gz IKRSPQPRFKGHCA-MRXNPFEDSA-N 1 0 377.286 2.849 20 0 GFADRO COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)NC[C@H](C)[NH+]1CCCC1 ZINC000580908208 564779177 /nfs/dbraw/zinc/77/91/77/564779177.db2.gz QMEBCFJASZBZLM-JTQLQIEISA-N 1 0 395.308 2.543 20 0 GFADRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)Nc1cccc(Br)c1Cl ZINC000580965369 564781135 /nfs/dbraw/zinc/78/11/35/564781135.db2.gz MVTZPQAHSHXGTG-SNVBAGLBSA-N 1 0 390.709 2.888 20 0 GFADRO C[C@@H](c1ccc(Br)cc1)N1CC[NH+](C[C@@H](O)CC2(O)CCC2)CC1 ZINC000528390576 564781771 /nfs/dbraw/zinc/78/17/71/564781771.db2.gz NKSAPJPFKJPFFP-YJBOKZPZSA-N 1 0 397.357 2.794 20 0 GFADRO C[C@@H]1CC[N@H+](C)CCN1C(=O)Nc1ccc2nccnc2c1Br ZINC000490830255 564782547 /nfs/dbraw/zinc/78/25/47/564782547.db2.gz UURCBSOOCKOJFA-LLVKDONJSA-N 1 0 378.274 2.950 20 0 GFADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1csc(Br)c1 ZINC000528419766 564783883 /nfs/dbraw/zinc/78/38/83/564783883.db2.gz CLHIWBFGFZCKTG-HZSPNIEDSA-N 1 0 387.343 2.841 20 0 GFADRO CCc1ncc(S(=O)(=O)N(CC[NH+](CC)CC)CCC(F)(F)F)s1 ZINC000460921473 564784780 /nfs/dbraw/zinc/78/47/80/564784780.db2.gz DWHMGDUJBNJYAK-UHFFFAOYSA-N 1 0 387.493 2.990 20 0 GFADRO CC(C)C[C@H](NC(=O)c1cc(Cl)c(F)cc1Cl)C(=O)NCC[NH+](C)C ZINC000491051714 564785456 /nfs/dbraw/zinc/78/54/56/564785456.db2.gz OSAXKUMJPOBHEA-HNNXBMFYSA-N 1 0 392.302 2.955 20 0 GFADRO C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@H](CCO)C1CCOCC1 ZINC000461084015 564788789 /nfs/dbraw/zinc/78/87/89/564788789.db2.gz GXLBDOAGCJBKKE-SUMWQHHRSA-N 1 0 399.329 2.933 20 0 GFADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)c3sc4ncccc4c3Cl)CC2)C1 ZINC000528584749 564796468 /nfs/dbraw/zinc/79/64/68/564796468.db2.gz UNQSXLXCNVOIOX-ZDUSSCGKSA-N 1 0 378.929 2.802 20 0 GFADRO O=C(NC[C@@H]1COCC[NH2+]1)Nc1cc(C(F)(F)F)ccc1Br ZINC000528691294 564800486 /nfs/dbraw/zinc/80/04/86/564800486.db2.gz QRIWYNMYYCZYII-SECBINFHSA-N 1 0 382.180 2.578 20 0 GFADRO C[N@@H+]1CCC[C@@H](CCNC(=O)N2CCC(n3cc(Br)cn3)CC2)C1 ZINC000581415018 564801220 /nfs/dbraw/zinc/80/12/20/564801220.db2.gz QYLVELLSPOJSAJ-AWEZNQCLSA-N 1 0 398.349 2.724 20 0 GFADRO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)Nc1ccc(Br)c(Cl)c1Cl ZINC000581429441 564802215 /nfs/dbraw/zinc/80/22/15/564802215.db2.gz MCVOHFFBTUVVJL-BQBZGAKWSA-N 1 0 397.100 2.936 20 0 GFADRO O=c1ccc([C@@H]2CCC[N@H+]2C[C@@H](O)COc2ccc(Br)cc2)n[nH]1 ZINC000528787576 564805710 /nfs/dbraw/zinc/80/57/10/564805710.db2.gz AWOIRVKBEQSAAD-CJNGLKHVSA-N 1 0 394.269 2.522 20 0 GFADRO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1CCSc1ccnc2cc(Cl)ccc21 ZINC000492938178 564805816 /nfs/dbraw/zinc/80/58/16/564805816.db2.gz XVVLGXGPZILVLF-CQSZACIVSA-N 1 0 399.969 2.994 20 0 GFADRO CC[NH+](CC)CCCNC(=O)c1cc(F)ccc1I ZINC000493374578 564806750 /nfs/dbraw/zinc/80/67/50/564806750.db2.gz UWTFVKUIOHLCLR-UHFFFAOYSA-N 1 0 378.229 2.892 20 0 GFADRO Cc1nc(CNC(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)sc1Br ZINC000581538478 564807379 /nfs/dbraw/zinc/80/73/79/564807379.db2.gz IEVYPQOFIAYZIP-NEPJUHHUSA-N 1 0 387.347 2.745 20 0 GFADRO COc1ccc([C@@H]([NH2+]CC(=O)Nc2ccc(Br)cn2)C2CC2)cn1 ZINC000528847653 564808253 /nfs/dbraw/zinc/80/82/53/564808253.db2.gz NGDVQBIKDLLBGP-KRWDZBQOSA-N 1 0 391.269 2.927 20 0 GFADRO COc1cc(CNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)cc(Br)c1OC ZINC000461993636 564810844 /nfs/dbraw/zinc/81/08/44/564810844.db2.gz WVNRCASYVJQZIH-RYUDHWBXSA-N 1 0 385.302 2.955 20 0 GFADRO COc1cc(C[NH2+]CCCCn2cc(Br)cn2)cc(OC)c1O ZINC000581634329 564811032 /nfs/dbraw/zinc/81/10/32/564811032.db2.gz JKXDXRRFIUZQMH-UHFFFAOYSA-N 1 0 384.274 2.938 20 0 GFADRO NC(=O)[C@H]1CCC[N@H+](CCCN[C@H]2CCc3sc(Br)cc32)C1 ZINC000556076276 564812349 /nfs/dbraw/zinc/81/23/49/564812349.db2.gz LWZQTFAFDWHKHQ-AAEUAGOBSA-N 1 0 386.359 2.675 20 0 GFADRO C[NH+]1CCC(CCO)(NC(=O)[C@@H]2C[C@H]2c2csc(Br)c2)CC1 ZINC000528979367 564812583 /nfs/dbraw/zinc/81/25/83/564812583.db2.gz XMHBZGFUHRGDAK-QWHCGFSZSA-N 1 0 387.343 2.577 20 0 GFADRO CCN(CC)S(=O)(=O)CC[NH2+]C1CC(c2ccc(Br)cc2)C1 ZINC000493906759 564812888 /nfs/dbraw/zinc/81/28/88/564812888.db2.gz MEMVSYSJALYAME-UHFFFAOYSA-N 1 0 389.359 2.956 20 0 GFADRO C[C@H]1C[C@@H](NS(=O)(=O)c2cccc(Cl)c2Br)CC[N@@H+]1C ZINC000493899623 564813069 /nfs/dbraw/zinc/81/30/69/564813069.db2.gz GDLPNTDYXFYXRU-UWVGGRQHSA-N 1 0 381.723 2.864 20 0 GFADRO C[NH+]1CCC(CNC(=O)NCc2cc(F)c(F)cc2Br)CC1 ZINC000493918174 564813157 /nfs/dbraw/zinc/81/31/57/564813157.db2.gz AKMMQITXOOOSTD-UHFFFAOYSA-N 1 0 376.245 2.868 20 0 GFADRO Cc1[nH]c(=O)c(Br)cc1C(=O)N[C@@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000581682680 564814022 /nfs/dbraw/zinc/81/40/22/564814022.db2.gz GNIBLNMMUGFATD-GDBMZVCRSA-N 1 0 390.281 2.686 20 0 GFADRO CS(=O)(=O)[C@@H]1CCC[C@@H]([NH2+]CCCOc2ccc(C(F)(F)F)cn2)C1 ZINC000556240973 564815791 /nfs/dbraw/zinc/81/57/91/564815791.db2.gz HKGJTDFNMKGDFY-ZIAGYGMSSA-N 1 0 380.432 2.815 20 0 GFADRO CC[NH+]1CCN(CCCNC(=O)[C@H](C)Oc2ccc(Cl)c(Cl)c2)CC1 ZINC000494150670 564818020 /nfs/dbraw/zinc/81/80/20/564818020.db2.gz KDLRWLOTAGYMSG-AWEZNQCLSA-N 1 0 388.339 2.905 20 0 GFADRO FC(F)[C@@H]1C[NH2+]CCN1Cc1ncc(Br)cc1Br ZINC000581884605 564821554 /nfs/dbraw/zinc/82/15/54/564821554.db2.gz PNEGKUGAWPUCNS-JTQLQIEISA-N 1 0 385.050 2.646 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)c2ncc(Br)cc2Br)C1 ZINC000581883280 564821712 /nfs/dbraw/zinc/82/17/12/564821712.db2.gz VMJNNWLQFRUEQG-BDAKNGLRSA-N 1 0 391.107 2.806 20 0 GFADRO COCCOc1ccc(C(=O)NCC2(SC)CC[NH+](C)CC2)c(Cl)c1 ZINC000581974959 564824897 /nfs/dbraw/zinc/82/48/97/564824897.db2.gz ICLUUFWVZDMQAA-UHFFFAOYSA-N 1 0 386.945 2.922 20 0 GFADRO CCN1CCN(C(=O)Nc2nccc(Br)c2C)C[C@H]1c1ncc[nH]1 ZINC000581992321 564825484 /nfs/dbraw/zinc/82/54/84/564825484.db2.gz UZPAGVZJLNCZKB-ZDUSSCGKSA-N 1 0 393.289 2.786 20 0 GFADRO CC[N@H+](CCNC(=O)NCc1cc(Br)cc2c1OCC2)C1CC1 ZINC000462165475 564825723 /nfs/dbraw/zinc/82/57/23/564825723.db2.gz QXXOTZAJQUPUJJ-UHFFFAOYSA-N 1 0 382.302 2.668 20 0 GFADRO [NH3+][C@@H]1CCO[C@@H](C2CCN(C(=O)COc3cccc(Br)c3)CC2)C1 ZINC000581997404 564826781 /nfs/dbraw/zinc/82/67/81/564826781.db2.gz IHVPWOSABUBWMY-NVXWUHKLSA-N 1 0 397.313 2.573 20 0 GFADRO COc1c[nH+]ccc1N1CCN(C(=O)c2cc(O)cc(Br)c2)CC1 ZINC000529230376 564826875 /nfs/dbraw/zinc/82/68/75/564826875.db2.gz VVHSNNATJYCMAW-UHFFFAOYSA-N 1 0 392.253 2.521 20 0 GFADRO O=C(N[C@@H]1CCN(c2ccccc2Br)C1)N1CC[NH+]2CCC1CC2 ZINC000556453793 564827441 /nfs/dbraw/zinc/82/74/41/564827441.db2.gz LVYKLXSNOJBISV-CQSZACIVSA-N 1 0 393.329 2.517 20 0 GFADRO CNC(=O)c1cccc(NC(=O)N(CC[NH+](C)C)CC(C)C)c1Br ZINC000494385950 564827576 /nfs/dbraw/zinc/82/75/76/564827576.db2.gz OPQQJKGVUNPHDU-UHFFFAOYSA-N 1 0 399.333 2.860 20 0 GFADRO O=C(NC[C@H]1COCC[NH2+]1)N1CCC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000529374232 564832063 /nfs/dbraw/zinc/83/20/63/564832063.db2.gz JCCJIDFUQSFMTH-JSGCOSHPSA-N 1 0 388.295 2.535 20 0 GFADRO O=C(c1c(Br)ccc2ccccc21)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000529386732 564833208 /nfs/dbraw/zinc/83/32/08/564833208.db2.gz IPYXQZUDWOFQMI-LSDHHAIUSA-N 1 0 389.293 2.883 20 0 GFADRO Cc1cc(Br)cc2c1[C@H]([NH2+]C[C@H]1CC[C@@H](C(=O)N(C)C)O1)CC2 ZINC000494597412 564834960 /nfs/dbraw/zinc/83/49/60/564834960.db2.gz VOUXGSITRRGDKJ-OAGGEKHMSA-N 1 0 381.314 2.970 20 0 GFADRO C[N@@H+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)c1ccc(Br)c(F)c1F ZINC000529422743 564835272 /nfs/dbraw/zinc/83/52/72/564835272.db2.gz GKVDTRWIUKAOOU-OLZOCXBDSA-N 1 0 389.240 2.663 20 0 GFADRO CC[N@H+](CCNC(=O)Nc1cnn(CC(F)(F)F)c1)CCC(F)(F)F ZINC000494759607 564839340 /nfs/dbraw/zinc/83/93/40/564839340.db2.gz WEPNYYJFAZMNAC-UHFFFAOYSA-N 1 0 375.317 2.841 20 0 GFADRO O=C(c1cc(I)ccc1Cl)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000494873435 564842927 /nfs/dbraw/zinc/84/29/27/564842927.db2.gz KFJXWSWLGABCTI-TVQRCGJNSA-N 1 0 390.652 2.769 20 0 GFADRO O=C([C@@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000494882546 564843043 /nfs/dbraw/zinc/84/30/43/564843043.db2.gz ZTKMYIASQFXBMZ-XHBSWPGZSA-N 1 0 382.291 2.557 20 0 GFADRO O=C(NCC[C@H]1CCC[NH2+]C1)Nc1nnc(-c2c(F)cccc2Cl)s1 ZINC000582408603 564845519 /nfs/dbraw/zinc/84/55/19/564845519.db2.gz RVFUKVVHUDQQMY-SNVBAGLBSA-N 1 0 383.880 3.509 20 0 GFADRO CC[NH+]1C[C@@H](C)N(C(=O)c2cc(F)ccc2I)[C@H](C)C1 ZINC000582444641 564847134 /nfs/dbraw/zinc/84/71/34/564847134.db2.gz MLMPPDYAUBBXDN-GHMZBOCLSA-N 1 0 390.240 2.985 20 0 GFADRO Cc1sc2nc(CN3CC[NH+](C[C@@H]4CCSC4)CC3)[nH]c(=O)c2c1C ZINC000495078685 564847669 /nfs/dbraw/zinc/84/76/69/564847669.db2.gz KPTXAFDYLUSFDO-AWEZNQCLSA-N 1 0 378.567 2.884 20 0 GFADRO O=C(NC[C@@H]1CC[N@@H+]1C1CCCCC1)c1cc(I)c[nH]1 ZINC000529720517 564848663 /nfs/dbraw/zinc/84/86/63/564848663.db2.gz RUHKYWGRLYCODC-ZDUSSCGKSA-N 1 0 387.265 2.756 20 0 GFADRO O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccccc1OCc1ccccc1Br ZINC000495117925 564848882 /nfs/dbraw/zinc/84/88/82/564848882.db2.gz GSDFLCAPUCTZDD-HWWDLCQESA-N 1 0 387.277 2.976 20 0 GFADRO Cc1nccc(NC(=O)N2CCCC[C@H]2[C@@H]2CCC[NH2+]C2)c1Br ZINC000556995399 564849748 /nfs/dbraw/zinc/84/97/48/564849748.db2.gz QHYONSXGDBHZOF-HIFRSBDPSA-N 1 0 381.318 2.960 20 0 GFADRO O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1cccnc1Oc1ccc(F)cc1Br ZINC000495123015 564849811 /nfs/dbraw/zinc/84/98/11/564849811.db2.gz UOFKUCJSJYCPLN-JYAVWHMHSA-N 1 0 392.228 2.723 20 0 GFADRO CC(C)c1nc(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)nn1-c1c(Cl)cccc1Cl ZINC000495165069 564850517 /nfs/dbraw/zinc/85/05/17/564850517.db2.gz CWTCVMIBVCXHRV-IWIIMEHWSA-N 1 0 380.279 2.645 20 0 GFADRO C[C@H](NC(=O)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1)c1ccc(Br)cc1 ZINC000557014392 564850716 /nfs/dbraw/zinc/85/07/16/564850716.db2.gz JQUIMYAOZLCENC-APHBMKBZSA-N 1 0 396.329 2.615 20 0 GFADRO CC[C@@H]1CN(C(=O)[C@H](C)c2cccc(Br)c2)CC[N@@H+]1C[C@H](C)O ZINC000462589429 564850924 /nfs/dbraw/zinc/85/09/24/564850924.db2.gz HKLUSUXFCQOPGI-JJRVBVJISA-N 1 0 383.330 2.856 20 0 GFADRO C[NH+](C)CC1CCN(C(=O)Cc2cc3c(cc2Br)OCCO3)CC1 ZINC000495268735 564852559 /nfs/dbraw/zinc/85/25/59/564852559.db2.gz ALCZUOBDCKEVQA-UHFFFAOYSA-N 1 0 397.313 2.563 20 0 GFADRO C[NH+](C)CCn1ccc(C(=O)N2CC3(CC3)c3ccc(Br)cc32)n1 ZINC000529824718 564852719 /nfs/dbraw/zinc/85/27/19/564852719.db2.gz LIDRPEIRHIOLAG-UHFFFAOYSA-N 1 0 389.297 2.899 20 0 GFADRO C[NH+]1CCC(NS(=O)(=O)Cc2cc(Cl)ccc2Br)CC1 ZINC000582603345 564853993 /nfs/dbraw/zinc/85/39/93/564853993.db2.gz VLVQPDJCTMSILU-UHFFFAOYSA-N 1 0 381.723 2.616 20 0 GFADRO CS[C@H]1CN(C(=O)c2cnn(Cc3ccccc3Cl)c2)C[C@H]1[NH+](C)C ZINC000495581047 564855659 /nfs/dbraw/zinc/85/56/59/564855659.db2.gz SWDWMHXGSAFJLK-SJORKVTESA-N 1 0 378.929 2.702 20 0 GFADRO CS[C@@H]1CN(C(=O)c2csc(Cc3ccc(F)cc3)n2)C[C@H]1[NH+](C)C ZINC000495684170 564856010 /nfs/dbraw/zinc/85/60/10/564856010.db2.gz ZBLCUYUGBSNHEG-HZPDHXFCSA-N 1 0 379.526 2.991 20 0 GFADRO CCn1nc(C)c(CNC(=O)[C@@](C)([NH3+])c2ccc(Br)cc2)c1C ZINC000582662733 564856234 /nfs/dbraw/zinc/85/62/34/564856234.db2.gz AJJFOWTYLFEZMV-KRWDZBQOSA-N 1 0 379.302 2.773 20 0 GFADRO C[C@]1(CNC(=O)N[C@H]2CCN(c3ccc(Br)cc3)C2)CCC[NH2+]C1 ZINC000582714758 564857856 /nfs/dbraw/zinc/85/78/56/564857856.db2.gz DGDCUOIBWJKVIK-YJBOKZPZSA-N 1 0 395.345 2.717 20 0 GFADRO [NH3+]C1(c2noc(-c3cc4c(cc3Br)NC(=O)CO4)n2)CCCC1 ZINC000582725156 564858852 /nfs/dbraw/zinc/85/88/52/564858852.db2.gz OSZKRBGHOLLWSB-UHFFFAOYSA-N 1 0 379.214 2.558 20 0 GFADRO O=S(=O)(c1ccc(OC(F)F)c(F)c1)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000557348074 564860355 /nfs/dbraw/zinc/86/03/55/564860355.db2.gz VVHGTNZGVGYXLS-BXUZGUMPSA-N 1 0 378.416 2.580 20 0 GFADRO COCc1nn(C)cc1C(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000530031771 564860738 /nfs/dbraw/zinc/86/07/38/564860738.db2.gz CSKNRUJVTYQEMI-HNNXBMFYSA-N 1 0 385.295 2.906 20 0 GFADRO Cn1ncc(NC2CC[NH+](CCc3ccccc3)CC2)c(Br)c1=O ZINC000496734670 564861117 /nfs/dbraw/zinc/86/11/17/564861117.db2.gz ICBBDWGJUWKKCK-UHFFFAOYSA-N 1 0 391.313 2.662 20 0 GFADRO CC1(C)[C@@H](O)CC[N@@H+]1CCCOc1cccc(I)c1 ZINC000462872468 564861677 /nfs/dbraw/zinc/86/16/77/564861677.db2.gz FQXRIQIZXUVLSU-AWEZNQCLSA-N 1 0 375.250 2.905 20 0 GFADRO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000582777577 564861754 /nfs/dbraw/zinc/86/17/54/564861754.db2.gz NGXFXYZDPTZFIQ-UHFFFAOYSA-N 1 0 386.323 2.942 20 0 GFADRO CC[C@@H](Cn1cncn1)[NH2+][C@@H](C)c1ccc(Br)cc1OCCCO ZINC000462961469 564864442 /nfs/dbraw/zinc/86/44/42/564864442.db2.gz FRMGZSBGOUICLE-ZFWWWQNUSA-N 1 0 397.317 2.931 20 0 GFADRO CC[C@H](Cn1cncn1)[NH2+][C@@H](C)c1ccc(Br)cc1OCCCO ZINC000462961466 564864516 /nfs/dbraw/zinc/86/45/16/564864516.db2.gz FRMGZSBGOUICLE-DZGCQCFKSA-N 1 0 397.317 2.931 20 0 GFADRO CCN1CCN(C(=O)c2cnn(-c3ccc(Br)cc3)c2)[C@@H](C)C1 ZINC000557525455 564866089 /nfs/dbraw/zinc/86/60/89/564866089.db2.gz GNUFUHQOVFTPPI-ZDUSSCGKSA-N 1 0 377.286 2.801 20 0 GFADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3cc(Br)cn3C)n2C)C[C@@H]1C ZINC000557526054 564866165 /nfs/dbraw/zinc/86/61/65/564866165.db2.gz TTXJODNQNMVHRJ-NWDGAFQWSA-N 1 0 381.322 2.502 20 0 GFADRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N(C)Cc1cc(Cl)cc(Cl)c1 ZINC000557549821 564867433 /nfs/dbraw/zinc/86/74/33/564867433.db2.gz LJJLENKDTBFDJV-MRXNPFEDSA-N 1 0 386.323 2.942 20 0 GFADRO C[C@H](CNC(=O)C(=O)Nc1cccc(Cl)c1Br)[NH+]1CCCC1 ZINC000557586781 564868686 /nfs/dbraw/zinc/86/86/86/564868686.db2.gz LVFHBKXVWANFOG-SNVBAGLBSA-N 1 0 388.693 2.642 20 0 GFADRO Cc1cc(N2CC[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C2=O)ccc1Br ZINC000463171605 564871795 /nfs/dbraw/zinc/87/17/95/564871795.db2.gz PTJJDOPDKTYSRT-JKSUJKDBSA-N 1 0 396.329 2.565 20 0 GFADRO Cc1cc(NC(=O)N2CCC[N@@H+]([C@H](C)CO)CC2)c(F)cc1Br ZINC000497643418 564872661 /nfs/dbraw/zinc/87/26/61/564872661.db2.gz RBVKDJJKNWXEPC-GFCCVEGCSA-N 1 0 388.281 2.817 20 0 GFADRO C[C@H]([NH2+]CCN1CCCC1=O)c1ccc(F)c(I)c1 ZINC000583029168 564872715 /nfs/dbraw/zinc/87/27/15/564872715.db2.gz DBYSNERTYGCVBS-JTQLQIEISA-N 1 0 376.213 2.703 20 0 GFADRO Brc1ccc(OCc2ccccn2)c(C[NH2+]C[C@@H]2COCCN2)c1 ZINC000530246924 564873117 /nfs/dbraw/zinc/87/31/17/564873117.db2.gz MXVALPWYELIYQP-QGZVFWFLSA-N 1 0 392.297 2.501 20 0 GFADRO Cc1nc(NC(=O)NCCCC[NH+]2CCN(C)CC2)sc1C(F)(F)F ZINC000557696381 564873244 /nfs/dbraw/zinc/87/32/44/564873244.db2.gz WHVJZKHVUQLANC-UHFFFAOYSA-N 1 0 379.452 2.619 20 0 GFADRO CC[NH+](CC)CC[C@H](CO)NC(=O)Nc1ccc(Br)c(F)c1 ZINC000497700702 564873670 /nfs/dbraw/zinc/87/36/70/564873670.db2.gz DHVPFOAQXZROPR-GFCCVEGCSA-N 1 0 376.270 2.803 20 0 GFADRO COc1ccc(Br)cc1NC(=O)N1C[C@H](SC)[C@@H]([NH+](C)C)C1 ZINC000497675535 564874038 /nfs/dbraw/zinc/87/40/38/564874038.db2.gz FXCRXPZJOXVDIU-JSGCOSHPSA-N 1 0 388.331 2.967 20 0 GFADRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)NCc1cc(Br)cc2c1OCC2 ZINC000463256939 564874526 /nfs/dbraw/zinc/87/45/26/564874526.db2.gz GWFTWMKJSADHEZ-CYBMUJFWSA-N 1 0 396.329 2.867 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)NC[C@@H]2CC[N@@H+](C(C)C)C2)c(Br)c1 ZINC000583121030 564876425 /nfs/dbraw/zinc/87/64/25/564876425.db2.gz JTSDHQADEXLFIV-AWEZNQCLSA-N 1 0 396.329 2.851 20 0 GFADRO C[N@H+](CCc1cccc(Br)c1)CC(=O)NC(=O)NCc1ccco1 ZINC000463426503 564880014 /nfs/dbraw/zinc/88/00/14/564880014.db2.gz AWOPTMUNVNJELH-UHFFFAOYSA-N 1 0 394.269 2.542 20 0 GFADRO C[N@@H+](CCc1cccc(Br)c1)CCN1C(=O)NC2(CCCC2)C1=O ZINC000463431374 564881267 /nfs/dbraw/zinc/88/12/67/564881267.db2.gz ZOYKJWQHSMUYKD-UHFFFAOYSA-N 1 0 394.313 2.788 20 0 GFADRO C[C@@H]([NH2+]Cc1nnc(-c2ccc(Br)cc2)[nH]1)C(C)(C)n1cncn1 ZINC000583208069 564881431 /nfs/dbraw/zinc/88/14/31/564881431.db2.gz XBYKGRCVLFYVAJ-LLVKDONJSA-N 1 0 390.289 2.739 20 0 GFADRO C[C@@H](C[NH+]1CCOCC1)C(=O)N1CC[C@@H](Cc2ccc(Br)cc2)C1 ZINC000498013235 564885379 /nfs/dbraw/zinc/88/53/79/564885379.db2.gz NIBMSMXHJIYSGX-RDJZCZTQSA-N 1 0 395.341 2.808 20 0 GFADRO C[C@@H](NC(=O)c1cccs1)C(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000530590113 564888500 /nfs/dbraw/zinc/88/85/00/564888500.db2.gz CBLDLXWIIPMAQF-IUODEOHRSA-N 1 0 379.913 2.939 20 0 GFADRO [NH3+][C@@H](CC(F)F)C(=O)Nc1ccc(CCn2cc(Br)cn2)cc1 ZINC000498197380 564890773 /nfs/dbraw/zinc/89/07/73/564890773.db2.gz YRAUFHMYEYKMCI-ZDUSSCGKSA-N 1 0 387.228 2.809 20 0 GFADRO COCCO[C@@H]1COCC[C@@H]1[NH2+][C@@H](C)Cc1ccc(F)cc1Br ZINC000558110687 564892858 /nfs/dbraw/zinc/89/28/58/564892858.db2.gz BPISOQIZYRWXOU-AFAVFJNCSA-N 1 0 390.293 2.929 20 0 GFADRO C[C@H]1C[C@H](NC(=O)C2=Cc3cc(Br)ccc3OC2)C[N@@H+]1C1CC1 ZINC000530767244 564894176 /nfs/dbraw/zinc/89/41/76/564894176.db2.gz GXPMHUOJLPIGNV-NHYWBVRUSA-N 1 0 377.282 2.966 20 0 GFADRO CN(CC[NH2+]C[C@H](O)COc1ccc(Cl)cc1Br)C1CC1 ZINC000583688591 564903050 /nfs/dbraw/zinc/90/30/50/564903050.db2.gz QQXCFCDEWQZOKY-ZDUSSCGKSA-N 1 0 377.710 2.526 20 0 GFADRO CC(C)(CNC(=O)CCNC(=O)[C@H]1CCC[NH2+]1)c1c(Cl)cccc1Cl ZINC000583692400 564903440 /nfs/dbraw/zinc/90/34/40/564903440.db2.gz ZTCPTKQQQXICNN-CQSZACIVSA-N 1 0 386.323 2.646 20 0 GFADRO CC[NH+](CC)CCS(=O)(=O)N[C@@H](C)Cc1ccc(Br)cc1 ZINC000558482325 564903503 /nfs/dbraw/zinc/90/35/03/564903503.db2.gz WURMMKHNWQCOBA-ZDUSSCGKSA-N 1 0 377.348 2.641 20 0 GFADRO Cc1sc(NC(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)nc1C(C)C ZINC000583704835 564904055 /nfs/dbraw/zinc/90/40/55/564904055.db2.gz STDLXGFLFJQPOP-NSHDSACASA-N 1 0 379.452 2.533 20 0 GFADRO C[NH+](C)CCN(CC(=O)OC(C)(C)C)C(=O)c1csc(C(F)(F)F)n1 ZINC000558496376 564904159 /nfs/dbraw/zinc/90/41/59/564904159.db2.gz CXSULYGKUFLRLE-UHFFFAOYSA-N 1 0 381.420 2.507 20 0 GFADRO CC[NH+](CC)C[C@H](C)NC(=O)NCC(=O)Nc1ccc(Br)c(C)c1 ZINC000531246555 564904388 /nfs/dbraw/zinc/90/43/88/564904388.db2.gz WBAALVVQIZYOFQ-ZDUSSCGKSA-N 1 0 399.333 2.726 20 0 GFADRO O=C(NCc1cnn(-c2ccc(Br)cc2)c1)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000583729386 564904948 /nfs/dbraw/zinc/90/49/48/564904948.db2.gz RILOAJXOQIOVQM-KRWDZBQOSA-N 1 0 389.297 2.878 20 0 GFADRO CC[N@H+](C)CCNC(=O)c1cccn1-c1cccc(I)c1 ZINC000498739590 564907052 /nfs/dbraw/zinc/90/70/52/564907052.db2.gz IWBOBWXPGSIXCB-UHFFFAOYSA-N 1 0 397.260 2.763 20 0 GFADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)N1CCC[C@@H]1c1ccc(Br)cc1 ZINC000531442855 564910296 /nfs/dbraw/zinc/91/02/96/564910296.db2.gz QYSKSFDWXFAPLG-IAGOWNOFSA-N 1 0 395.345 2.541 20 0 GFADRO CN(C)S(=O)(=O)CC[NH2+][C@H]1CCc2c1cc(Cl)cc2Br ZINC000583901746 564911563 /nfs/dbraw/zinc/91/15/63/564911563.db2.gz QNXXMKNOWUOFAF-ZDUSSCGKSA-N 1 0 381.723 2.571 20 0 GFADRO CC[N@@H+]1C[C@H](C)N(CC(=O)N(C)Cc2ccccc2Br)C[C@H]1C ZINC000498929603 564913100 /nfs/dbraw/zinc/91/31/00/564913100.db2.gz PLOZGLXOHIWMLZ-CABCVRRESA-N 1 0 382.346 2.822 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)NCc2n[nH]cc2Br)C[N@@H+]1Cc1ccccc1 ZINC000531550192 564913243 /nfs/dbraw/zinc/91/32/43/564913243.db2.gz VTFFDBBTKPYPID-TZMCWYRMSA-N 1 0 392.301 2.634 20 0 GFADRO [NH3+][C@H](CC(F)F)C(=O)N1CCC(Oc2cccc(Br)c2)CC1 ZINC000583933275 564913415 /nfs/dbraw/zinc/91/34/15/564913415.db2.gz LMQLJBKCBKDXOI-CYBMUJFWSA-N 1 0 377.229 2.801 20 0 GFADRO CCC[N@H+](Cc1cc(Br)cc2cccnc21)[C@@H]1CC(=O)N(C)C1=O ZINC000558727934 564913495 /nfs/dbraw/zinc/91/34/95/564913495.db2.gz BGVZRXXDTBCNAZ-OAHLLOKOSA-N 1 0 390.281 2.967 20 0 GFADRO CC(C)([NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1)c1ccc(OC(F)(F)F)cc1 ZINC000558741477 564913643 /nfs/dbraw/zinc/91/36/43/564913643.db2.gz ICXADHBNFFZKHR-LBPRGKRZSA-N 1 0 380.432 2.691 20 0 GFADRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C1=Cc2cc(Br)ccc2OC1 ZINC000531569695 564914047 /nfs/dbraw/zinc/91/40/47/564914047.db2.gz DHDVRHIYGYVXOS-ZBEGNZNMSA-N 1 0 377.282 2.824 20 0 GFADRO C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)C1)c1nc(-c2ccc(Br)cc2)no1 ZINC000531613506 564915028 /nfs/dbraw/zinc/91/50/28/564915028.db2.gz NDUBNFJPCBQNFZ-ZYHUDNBSSA-N 1 0 379.258 2.628 20 0 GFADRO CO[C@@H]1CCN(C(=O)COc2cc(Cl)c(Cl)cc2Cl)[C@@H](C[NH3+])C1 ZINC000583989013 564915333 /nfs/dbraw/zinc/91/53/33/564915333.db2.gz TZRTXKNUFIBXNW-NXEZZACHSA-N 1 0 381.687 2.990 20 0 GFADRO Cc1cc(S(=O)(=O)NCC2([NH+]3CCCC3)CCOCC2)c(Cl)cc1F ZINC000531610582 564915353 /nfs/dbraw/zinc/91/53/53/564915353.db2.gz ZLDUNZAQMXDOCV-UHFFFAOYSA-N 1 0 390.908 2.711 20 0 GFADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)Nc1ccc(-c2ccc(Cl)s2)nc1 ZINC000558846111 564916533 /nfs/dbraw/zinc/91/65/33/564916533.db2.gz LTDNDGKMXPIZEG-ZDUSSCGKSA-N 1 0 379.917 2.831 20 0 GFADRO O=S(=O)(c1cccc(OC(F)(F)F)c1)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000584044042 564918129 /nfs/dbraw/zinc/91/81/29/564918129.db2.gz MSIMAAUSLSJTEA-WFASDCNBSA-N 1 0 378.416 2.738 20 0 GFADRO C[C@H]([NH3+])CCNC(=O)c1ccc(I)c(Br)c1 ZINC000584052261 564918641 /nfs/dbraw/zinc/91/86/41/564918641.db2.gz ZHEYOTMQWDVUJT-ZETCQYMHSA-N 1 0 397.054 2.521 20 0 GFADRO C[C@H](NC(=O)C[N@@H+]1CCC[C@@]2(CNC(=O)C2)C1)c1ccc(Cl)cc1Cl ZINC000464803091 564918883 /nfs/dbraw/zinc/91/88/83/564918883.db2.gz VYLOFHKIEFRADT-KPZWWZAWSA-N 1 0 384.307 2.773 20 0 GFADRO Cc1ncsc1CN(C[C@@H]1CC[NH2+]C1)S(=O)(=O)c1c(F)cccc1F ZINC000584163688 564923016 /nfs/dbraw/zinc/92/30/16/564923016.db2.gz ZBXWXWFJTYJKEA-GFCCVEGCSA-N 1 0 387.477 2.530 20 0 GFADRO COc1cc(Cl)c(S(=O)(=O)N2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc1OC ZINC000584163662 564923049 /nfs/dbraw/zinc/92/30/49/564923049.db2.gz WQGIFDUMEAAYKW-OCCSQVGLSA-N 1 0 388.917 2.510 20 0 GFADRO Cc1ncsc1CN(C[C@H]1CC[NH2+]C1)S(=O)(=O)c1c(F)cccc1F ZINC000584163689 564923208 /nfs/dbraw/zinc/92/32/08/564923208.db2.gz ZBXWXWFJTYJKEA-LBPRGKRZSA-N 1 0 387.477 2.530 20 0 GFADRO O=S(=O)(N[C@@H]1CCCC[C@@H]1N1CCOCC1)c1ccc(Cl)c(Cl)c1 ZINC000531911507 564924305 /nfs/dbraw/zinc/92/43/05/564924305.db2.gz ITDWCPDCAIFCSF-CVEARBPZSA-N 1 0 393.336 2.915 20 0 GFADRO CCC[C@@H]1CN(C(=O)Cc2ccc(Br)cc2)CC[N@@H+]1CCOC ZINC000499444552 564928203 /nfs/dbraw/zinc/92/82/03/564928203.db2.gz FXQFEEXPRRYMTK-QGZVFWFLSA-N 1 0 383.330 2.951 20 0 GFADRO C[NH+](C)CCN(C1CCCCC1)S(=O)(=O)c1cncc(Br)c1 ZINC000465488296 564928815 /nfs/dbraw/zinc/92/88/15/564928815.db2.gz DAJUXZQASOFOAX-UHFFFAOYSA-N 1 0 390.347 2.729 20 0 GFADRO CC[N@@H+]1CC[C@H]2OCCN(Cc3nc4ccc(Br)cc4o3)[C@H]2C1 ZINC000559309811 564929467 /nfs/dbraw/zinc/92/94/67/564929467.db2.gz GTRDSGLDNBYHMB-LSDHHAIUSA-N 1 0 380.286 2.885 20 0 GFADRO C[C@@H]1CC[N@H+](CCNC(=O)c2c(F)cccc2I)C1 ZINC000532120865 564929869 /nfs/dbraw/zinc/92/98/69/564929869.db2.gz QUVAWBAPDUKJAS-SNVBAGLBSA-N 1 0 376.213 2.502 20 0 GFADRO O=C(NCc1ccc(Cl)cc1Cl)C(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000559344264 564930275 /nfs/dbraw/zinc/93/02/75/564930275.db2.gz GRDOPYQUIPJPAO-OAHLLOKOSA-N 1 0 384.307 2.696 20 0 GFADRO C[C@H](CNC(=O)NC[C@H]1CC[N@@H+](C2CC2)C1)Oc1cccc(Br)c1 ZINC000465688928 564930807 /nfs/dbraw/zinc/93/08/07/564930807.db2.gz JXFTZNDVGDXOGW-ZIAGYGMSSA-N 1 0 396.329 3.000 20 0 GFADRO COCC[N@H+](C)CCCNC(=O)NC(C)(C)c1nc(C(F)(F)F)cs1 ZINC000465696873 564931468 /nfs/dbraw/zinc/93/14/68/564931468.db2.gz OGSQRSAEZGHRBW-UHFFFAOYSA-N 1 0 382.452 2.665 20 0 GFADRO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CCN1CCSCC1 ZINC000532228621 564932603 /nfs/dbraw/zinc/93/26/03/564932603.db2.gz JPNNGHXHMNCITB-CYBMUJFWSA-N 1 0 386.359 2.805 20 0 GFADRO C[C@@H](CNC(=O)NCC1CC[NH+](C)CC1)Oc1ccc(Br)cc1 ZINC000465873547 564933053 /nfs/dbraw/zinc/93/30/53/564933053.db2.gz WLMFNKHZIVGWCJ-ZDUSSCGKSA-N 1 0 384.318 2.857 20 0 GFADRO C[C@@H](CNC(=O)NC[C@H](C)[N@H+](C)C1CC1)Oc1cccc(Br)c1 ZINC000465894739 564933336 /nfs/dbraw/zinc/93/33/36/564933336.db2.gz SLWNVIGGIVQDMZ-STQMWFEESA-N 1 0 384.318 2.998 20 0 GFADRO OC[C@@]1([C@H]([NH2+]CCOc2cc(F)cc(Br)c2)C2CC2)CCCO1 ZINC000559465878 564933872 /nfs/dbraw/zinc/93/38/72/564933872.db2.gz CZQKOBUZHXVOQM-IAGOWNOFSA-N 1 0 388.277 2.877 20 0 GFADRO CSc1nc(=O)[nH]c(C)c1C(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000532288834 564934173 /nfs/dbraw/zinc/93/41/73/564934173.db2.gz UNHUKYSJUHVWOV-ZDUSSCGKSA-N 1 0 380.901 2.899 20 0 GFADRO CN(C)c1ncc(Br)cc1C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000499817596 564937334 /nfs/dbraw/zinc/93/73/34/564937334.db2.gz XYPMNRZEFSJOJC-CYBMUJFWSA-N 1 0 381.318 2.657 20 0 GFADRO C[C@@H](CNC(=O)c1cc(Br)cnc1N(C)C)[NH+]1CCC(C)CC1 ZINC000500001016 564942525 /nfs/dbraw/zinc/94/25/25/564942525.db2.gz AUYIQTLYBKYOMC-ZDUSSCGKSA-N 1 0 383.334 2.760 20 0 GFADRO CN(C)c1ncc(Br)cc1C(=O)NCC[N@H+](C)C1CCCCC1 ZINC000499999674 564942580 /nfs/dbraw/zinc/94/25/80/564942580.db2.gz IBWYIRRPXYUMRE-UHFFFAOYSA-N 1 0 383.334 2.904 20 0 GFADRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N1CCc2c(Br)cccc2C1 ZINC000466757737 564947167 /nfs/dbraw/zinc/94/71/67/564947167.db2.gz WSNRDDONHIKCPT-SJKOYZFVSA-N 1 0 378.314 3.000 20 0 GFADRO CC(C)(C)[C@@H](O)C[C@H](CO)[NH2+]Cc1cccc(I)c1 ZINC000560093936 564949441 /nfs/dbraw/zinc/94/94/41/564949441.db2.gz GLCWBAQIJQUUQH-KGLIPLIRSA-N 1 0 377.266 2.539 20 0 GFADRO CC[NH+](CC)CCOC1CCN(S(=O)(=O)Cc2ccccc2Cl)CC1 ZINC000466891186 564949519 /nfs/dbraw/zinc/94/95/19/564949519.db2.gz INKATOVQDWBRHT-UHFFFAOYSA-N 1 0 388.961 2.993 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)Cc2cc(=O)n3cc(Br)ccc3n2)C[C@@H]1C ZINC000532988244 564951929 /nfs/dbraw/zinc/95/19/29/564951929.db2.gz IIUKMTKHUGRCAM-XJKSGUPXSA-N 1 0 393.329 2.762 20 0 GFADRO C[C@@H]1CCNC(=O)[C@@H]1[NH2+]Cc1ccc(I)cc1Cl ZINC000500376047 564952258 /nfs/dbraw/zinc/95/22/58/564952258.db2.gz KDDKKXWJKHOOCS-PRHODGIISA-N 1 0 378.641 2.559 20 0 GFADRO Cc1cc(C(=O)NCC[N@@H+]2CCCOCC2)cc(Cl)c1Br ZINC000560231075 564954452 /nfs/dbraw/zinc/95/44/52/564954452.db2.gz IWDKERULLVQLHB-UHFFFAOYSA-N 1 0 375.694 2.863 20 0 GFADRO CS(=O)(=O)NC[C@H]1CCC[C@@H]1[NH2+]Cc1cc(Cl)ccc1Br ZINC000500512613 564956399 /nfs/dbraw/zinc/95/63/99/564956399.db2.gz KAVYAKCFFMOVCH-YGRLFVJLSA-N 1 0 395.750 2.910 20 0 GFADRO CN(CC(=O)Nc1c(F)cc(F)cc1Br)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000467137327 564956847 /nfs/dbraw/zinc/95/68/47/564956847.db2.gz FHPFSAVJMHLDML-GFCCVEGCSA-N 1 0 388.256 2.834 20 0 GFADRO CN1CC[NH+](CCC(C)(C)NC(=O)c2cccc(F)c2Br)CC1 ZINC000500905394 564965130 /nfs/dbraw/zinc/96/51/30/564965130.db2.gz JJEQFRQOQSBPEB-UHFFFAOYSA-N 1 0 386.309 2.734 20 0 GFADRO CCNC(=O)[C@@H]([NH2+][C@@H](C)CC(=O)Nc1ccc(Br)cc1)C(C)C ZINC000560562208 564968330 /nfs/dbraw/zinc/96/83/30/564968330.db2.gz CTJXQGADYOPVAN-LRDDRELGSA-N 1 0 384.318 2.917 20 0 GFADRO O=S(=O)(C1CC1)N1CCC[C@@H]([NH2+][C@H]2CCc3c2cccc3Br)C1 ZINC000560570230 564968473 /nfs/dbraw/zinc/96/84/73/564968473.db2.gz DHIMNWOCOYODLC-PXAZEXFGSA-N 1 0 399.354 2.983 20 0 GFADRO C[C@@H]1CCCN1C(=O)CC[NH2+]C(C)(C)COc1ncccc1Br ZINC000501055814 564969456 /nfs/dbraw/zinc/96/94/56/564969456.db2.gz XGZNDEQNEHADKZ-CYBMUJFWSA-N 1 0 384.318 2.992 20 0 GFADRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1ccn(-c2cccc(Br)c2)n1 ZINC000467722259 564970399 /nfs/dbraw/zinc/97/03/99/564970399.db2.gz XUMDXUFDLMDLNQ-PXAZEXFGSA-N 1 0 389.297 2.847 20 0 GFADRO C[C@@H](NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)c1nc(C(F)(F)F)cs1 ZINC000467731284 564971305 /nfs/dbraw/zinc/97/13/05/564971305.db2.gz AWMPPRJRBFLSNT-VXGBXAGGSA-N 1 0 378.464 2.755 20 0 GFADRO C[N@@H+]1CCCC[C@@H]1CCC(=O)NC[C@@H](O)COc1ccccc1Br ZINC000501358895 564977946 /nfs/dbraw/zinc/97/79/46/564977946.db2.gz BNFCCAZEVCWPBW-HUUCEWRRSA-N 1 0 399.329 2.570 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N[C@H](C)Cc1ccc(Cl)cc1Cl ZINC000560875935 564978559 /nfs/dbraw/zinc/97/85/59/564978559.db2.gz MEIHSBKQJGHTKL-DOMZBBRYSA-N 1 0 386.323 2.641 20 0 GFADRO COc1ccc(CN2C[C@@H](SC)[C@H]([NH+](C)C)C2)c(Br)c1OC ZINC000534219262 564983111 /nfs/dbraw/zinc/98/31/11/564983111.db2.gz YKSZNFPORNZWMO-TZMCWYRMSA-N 1 0 389.359 2.944 20 0 GFADRO COC(=O)[C@@H](c1cccc(Br)c1)N(C)C(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC000501646313 564984027 /nfs/dbraw/zinc/98/40/27/564984027.db2.gz KROQNVMLRYILBM-IIYDPXPESA-N 1 0 397.313 2.994 20 0 GFADRO C[N@@H+]1CCN(C[C@H](O)COc2ccc(Cl)cc2Br)C(C)(C)C1 ZINC000501778009 564985422 /nfs/dbraw/zinc/98/54/22/564985422.db2.gz SDUXGTWYLASUPP-ZDUSSCGKSA-N 1 0 391.737 2.868 20 0 GFADRO C[C@@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000468518752 564985912 /nfs/dbraw/zinc/98/59/12/564985912.db2.gz QHEUSUMFDCLYAM-GXTWGEPZSA-N 1 0 386.323 2.923 20 0 GFADRO COCC[N@H+](CCN1CCO[C@@H](C)C1)Cc1ccc(Br)s1 ZINC000501877042 564987341 /nfs/dbraw/zinc/98/73/41/564987341.db2.gz WLFRDLIITRQPET-ZDUSSCGKSA-N 1 0 377.348 2.680 20 0 GFADRO C[C@@]1(CNC(=O)N2CCO[C@H](c3cccc(Br)c3)C2)CCC[NH2+]C1 ZINC000561215373 564987575 /nfs/dbraw/zinc/98/75/75/564987575.db2.gz MJKDEFFSRVNFQP-FUHWJXTLSA-N 1 0 396.329 2.922 20 0 GFADRO CC[N@@H+]1CCCC[C@H]1C(=O)NCc1nc(-c2cccc(Br)c2)no1 ZINC000468608217 564987822 /nfs/dbraw/zinc/98/78/22/564987822.db2.gz LNZTXNGMXPRDSH-AWEZNQCLSA-N 1 0 393.285 2.990 20 0 GFADRO Cc1ncc(NC(=O)C(=O)NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)s1 ZINC000501945290 564988783 /nfs/dbraw/zinc/98/87/83/564988783.db2.gz FKTZGHDHMVMGPB-DOMZBBRYSA-N 1 0 378.523 2.651 20 0 GFADRO CCN(CC)S(=O)(=O)c1ccc(C[NH2+][C@@H]2COc3ccccc3C2)s1 ZINC000561274018 564989270 /nfs/dbraw/zinc/98/92/70/564989270.db2.gz UXKKFGVKLOCPCZ-HNNXBMFYSA-N 1 0 380.535 2.872 20 0 GFADRO CC[C@H](C)[N@H+](C)CCNC(=O)[C@H]1CC(=O)Nc2ccc(Br)cc21 ZINC000468830212 564995315 /nfs/dbraw/zinc/99/53/15/564995315.db2.gz DCUMCJDMXQUKMI-FZMZJTMJSA-N 1 0 382.302 2.721 20 0 GFADRO CC(C)(COc1ncccc1C(F)(F)F)[NH2+]CC1(CS(C)(=O)=O)CC1 ZINC000502293907 564995589 /nfs/dbraw/zinc/99/55/89/564995589.db2.gz TYWNFCIKTZVVEG-UHFFFAOYSA-N 1 0 380.432 2.672 20 0 GFADRO CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CC(=O)Nc3ccc(Br)cc32)C1 ZINC000468866939 564996877 /nfs/dbraw/zinc/99/68/77/564996877.db2.gz GTJPBBHAEVXHFX-SWLSCSKDSA-N 1 0 394.313 2.723 20 0 GFADRO CS[C@@H]1CN(C(=O)c2cn(-c3ccc(Cl)cc3)nc2C)C[C@H]1[NH+](C)C ZINC000534827119 564997475 /nfs/dbraw/zinc/99/74/75/564997475.db2.gz BTMXNVRLMICRFC-IAGOWNOFSA-N 1 0 378.929 2.952 20 0 GFADRO CCc1n[nH]c(C(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)c1Br ZINC000468922593 564999227 /nfs/dbraw/zinc/99/92/27/564999227.db2.gz JUAWBLDOPGCTGG-ZDUSSCGKSA-N 1 0 379.302 2.637 20 0 GFADRO O=S(=O)(c1ccc(C[NH2+][C@@H]2CCCC[C@H]2OC(F)F)o1)N1CCCC1 ZINC000502479803 564999596 /nfs/dbraw/zinc/99/95/96/564999596.db2.gz GCIIDUPATUFELN-ZIAGYGMSSA-N 1 0 378.441 2.704 20 0 GFADRO CS[C@@H]1CN([C@H](C)C(=O)Nc2ccc(Br)cc2)C[C@H]1[NH+](C)C ZINC000534954182 565000437 /nfs/dbraw/zinc/00/04/37/565000437.db2.gz DDZIQKVABMXEOO-KCPJHIHWSA-N 1 0 386.359 2.754 20 0 GFADRO COC1CC[NH+](C2(CNC(=O)c3ccc(Br)cn3)CCCC2)CC1 ZINC000502535723 565001274 /nfs/dbraw/zinc/00/12/74/565001274.db2.gz LRPSWOKACUYBAS-UHFFFAOYSA-N 1 0 396.329 2.998 20 0 GFADRO O=C1[C@H]([NH2+][C@@]2(Cc3ccc(Cl)cc3)CCOC2)CCN1CC(F)(F)F ZINC000502534981 565001406 /nfs/dbraw/zinc/00/14/06/565001406.db2.gz FGIXFWRRHNLBSO-GDBMZVCRSA-N 1 0 376.806 2.794 20 0 GFADRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1S(=O)(=O)c1ccc(F)cc1Br ZINC000561553391 565002236 /nfs/dbraw/zinc/00/22/36/565002236.db2.gz QWLPXLYKHCSFIE-RISCZKNCSA-N 1 0 391.306 2.836 20 0 GFADRO Cc1ccc(C(=O)N2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)c(Br)c1 ZINC000535096671 565004764 /nfs/dbraw/zinc/00/47/64/565004764.db2.gz QHRMVEVHINRMNC-INIZCTEOSA-N 1 0 394.357 2.998 20 0 GFADRO COc1ccc(NC(=O)CC[N@@H+]2CCC[C@H](S(C)(=O)=O)CC2)cc1Cl ZINC000502800903 565005074 /nfs/dbraw/zinc/00/50/74/565005074.db2.gz BTEYYRVVIKFDPG-AWEZNQCLSA-N 1 0 388.917 2.576 20 0 GFADRO CC[NH+](CC)CCO[C@@H]1CCN(S(=O)(=O)c2cc(F)cc(Cl)c2)C1 ZINC000535140082 565005510 /nfs/dbraw/zinc/00/55/10/565005510.db2.gz CCYHZKHYTZMJKL-OAHLLOKOSA-N 1 0 378.897 2.601 20 0 GFADRO Cc1c2cc(Cl)ccc2oc1S(=O)(=O)NCCC[N@@H+](C)CCN(C)C ZINC000561731076 565007271 /nfs/dbraw/zinc/00/72/71/565007271.db2.gz YTMTVGGLNMRRFH-UHFFFAOYSA-N 1 0 387.933 2.556 20 0 GFADRO CCO[C@H](CC[NH+](C)C)CNC(=O)Cc1c(F)ccc(Br)c1F ZINC000502968357 565010383 /nfs/dbraw/zinc/01/03/83/565010383.db2.gz AYQZIXPFPMEYSI-LLVKDONJSA-N 1 0 393.272 2.743 20 0 GFADRO CC[C@@H](C)[N@H+](C)CCNS(=O)(=O)c1cc(Cl)ccc1O[C@H](C)COC ZINC000469364584 565014553 /nfs/dbraw/zinc/01/45/53/565014553.db2.gz PUAJZVDWPIKEPD-ZIAGYGMSSA-N 1 0 392.949 2.762 20 0 GFADRO CCC[N@@H+]1CCC[C@H]1CNC(=O)NCCCCn1cc(Br)cn1 ZINC000503397272 565018294 /nfs/dbraw/zinc/01/82/94/565018294.db2.gz GYRJQAHQCVSQEJ-HNNXBMFYSA-N 1 0 386.338 2.599 20 0 GFADRO CS[C@H]1CN(C(=O)Cc2c(F)ccc(Br)c2F)C[C@H]1[NH+](C)C ZINC000503538986 565022720 /nfs/dbraw/zinc/02/27/20/565022720.db2.gz OCQGTWUIWJMIFF-OLZOCXBDSA-N 1 0 393.297 2.774 20 0 GFADRO C[C@@H](NC(=O)N1CC[N@@H+](C[C@H](C)O)C[C@H]1C)c1ccc(Br)cc1 ZINC000503551432 565023291 /nfs/dbraw/zinc/02/32/91/565023291.db2.gz MOCFEFMHYDSZRM-HZSPNIEDSA-N 1 0 384.318 2.607 20 0 GFADRO C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@@H]2c2ccc(I)cc2)C1 ZINC000536039701 565027210 /nfs/dbraw/zinc/02/72/10/565027210.db2.gz MISTWCULIGMLAI-UKRRQHHQSA-N 1 0 384.261 2.906 20 0 GFADRO CC[N@@H+]1CCCC[C@H]1C(=O)N(C)CC(=O)Nc1ccccc1Br ZINC000536065076 565027750 /nfs/dbraw/zinc/02/77/50/565027750.db2.gz NAVBTTXJGHITDT-HNNXBMFYSA-N 1 0 382.302 2.720 20 0 GFADRO C[C@@H]([NH2+]CC1(OCCO)CCOCC1)c1ccc(Br)c(F)c1 ZINC000503855086 565029748 /nfs/dbraw/zinc/02/97/48/565029748.db2.gz JZECYXBUGHZDLN-GFCCVEGCSA-N 1 0 376.266 2.797 20 0 GFADRO CC[C@@H](CNC(=O)CN1CC[NH+](CC)CC1)Cc1cccc(Br)c1 ZINC000469853655 565030038 /nfs/dbraw/zinc/03/00/38/565030038.db2.gz CMWPPJMUKWAEFX-MRXNPFEDSA-N 1 0 396.373 2.772 20 0 GFADRO Cc1ccc(O)c(CNc2cc(N3CCOCC3)c(Br)c[nH+]2)n1 ZINC000562519790 565031280 /nfs/dbraw/zinc/03/12/80/565031280.db2.gz OYDKLKRLGZWBNB-UHFFFAOYSA-N 1 0 379.258 2.702 20 0 GFADRO O=C(CC[N@@H+]1C[C@H](O)C[C@H]1[C@@H]1CCCOC1)Nc1ccc(Br)cc1 ZINC000562543315 565032356 /nfs/dbraw/zinc/03/23/56/565032356.db2.gz AJGHQIGTMVXNNO-XYPHTWIQSA-N 1 0 397.313 2.640 20 0 GFADRO CS[C@H]1CN(C(=O)c2cnc(Cc3ccc(F)cc3)s2)C[C@@H]1[NH+](C)C ZINC000536336774 565035201 /nfs/dbraw/zinc/03/52/01/565035201.db2.gz NZJHQYTZFHXLAZ-HOCLYGCPSA-N 1 0 379.526 2.991 20 0 GFADRO C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)[C@@H](C)C1 ZINC000504104688 565035495 /nfs/dbraw/zinc/03/54/95/565035495.db2.gz SFUHFROWFQAEHM-MYLCLEHYSA-N 1 0 386.323 2.946 20 0 GFADRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N[C@@H](CO)c1ccc(Br)cc1 ZINC000504111813 565035702 /nfs/dbraw/zinc/03/57/02/565035702.db2.gz RACSSIJZFAQJSG-CPUCHLNUSA-N 1 0 398.345 2.902 20 0 GFADRO COc1ccc2c(c1)OC[C@H]([NH2+][C@@H](C(N)=O)c1cccc(Br)c1)C2 ZINC000504388165 565038938 /nfs/dbraw/zinc/03/89/38/565038938.db2.gz OOTHJAZLSMKSTP-RHSMWYFYSA-N 1 0 391.265 2.577 20 0 GFADRO CS[C@@H]1CN(c2ncc(C(=O)N3CCCCC3)cc2Cl)C[C@H]1[NH+](C)C ZINC000536629262 565043568 /nfs/dbraw/zinc/04/35/68/565043568.db2.gz WHJXJGFWCCMTHN-HZPDHXFCSA-N 1 0 382.961 2.843 20 0 GFADRO C[C@H](NC(=O)N[C@@H]1CCN(c2ccc(Br)cc2)C1)[C@H]1CCC[NH2+]C1 ZINC000562800474 565044050 /nfs/dbraw/zinc/04/40/50/565044050.db2.gz PLAVCBRPJXKJQW-OFQRWUPVSA-N 1 0 395.345 2.715 20 0 GFADRO C[C@@]1(CNC(=O)N[C@H]2CCOc3c(Br)cccc32)CCC[NH2+]C1 ZINC000562810727 565044133 /nfs/dbraw/zinc/04/41/33/565044133.db2.gz WWGKWJARQPPKGG-WMLDXEAASA-N 1 0 382.302 2.962 20 0 GFADRO CN(C)C(=O)CC[NH2+][C@@H]1CCCOc2ccc(I)cc21 ZINC000536858967 565048295 /nfs/dbraw/zinc/04/82/95/565048295.db2.gz QBUKNVZGMCELBM-CYBMUJFWSA-N 1 0 388.249 2.573 20 0 GFADRO CO[C@@H](c1ccc(Br)cc1)[C@H](C)NC(=O)N1CCC[N@H+](C)CC1 ZINC000537008967 565050935 /nfs/dbraw/zinc/05/09/35/565050935.db2.gz XQACQSXUPZCXPZ-XJKSGUPXSA-N 1 0 384.318 2.872 20 0 GFADRO Cc1cc(NC(=O)CC[NH2+][C@H](C)Cc2cc(Br)ccc2F)no1 ZINC000562990779 565051547 /nfs/dbraw/zinc/05/15/47/565051547.db2.gz GAHZAQJQPHUQOP-SNVBAGLBSA-N 1 0 384.249 3.434 20 0 GFADRO CC(C)[N@@H+]1CCC[C@@H](NC(=O)c2csc(I)c2)C1 ZINC000470692511 565053034 /nfs/dbraw/zinc/05/30/34/565053034.db2.gz GOUJUZSXSWSRQC-LLVKDONJSA-N 1 0 378.279 2.955 20 0 GFADRO O=c1cc(C[N@@H+]2CCC[C@@H]2[C@H]2CCCOC2)nc2ccc(Br)cn12 ZINC000563066647 565053952 /nfs/dbraw/zinc/05/39/52/565053952.db2.gz ZDXLHVIPCVQUSL-XJKSGUPXSA-N 1 0 392.297 2.848 20 0 GFADRO CN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)CC[N@H+](C)C(C)(C)C)c1 ZINC000563080896 565055563 /nfs/dbraw/zinc/05/55/63/565055563.db2.gz IZKYWKCQZNEQBE-UHFFFAOYSA-N 1 0 375.922 2.649 20 0 GFADRO COc1ncc(C(=O)NCC2([NH3+])C3CC4CC(C3)CC2C4)cc1Br ZINC000563111978 565056042 /nfs/dbraw/zinc/05/60/42/565056042.db2.gz ALAONOWQLYCRSR-UHFFFAOYSA-N 1 0 394.313 2.736 20 0 GFADRO CS[C@@H]1CN([C@@H](C)C(=O)Nc2ccccc2Br)C[C@H]1[NH+](C)C ZINC000537272816 565056271 /nfs/dbraw/zinc/05/62/71/565056271.db2.gz FUDCTLXBKGEGDN-NILFDRSVSA-N 1 0 386.359 2.754 20 0 GFADRO C[C@H]([NH3+])C[C@H](C)NS(=O)(=O)c1cc(C(F)(F)F)ccc1Br ZINC000563124545 565056403 /nfs/dbraw/zinc/05/64/03/565056403.db2.gz GJHYDFSIFDQDMM-YUMQZZPRSA-N 1 0 389.237 2.872 20 0 GFADRO C[NH+](C)[C@]1(CNC(=O)N[C@@H]2CCN(c3ccc(Cl)cc3)C2)CCSC1 ZINC000537371594 565057785 /nfs/dbraw/zinc/05/77/85/565057785.db2.gz KCFKDZWWBBOTIM-QAPCUYQASA-N 1 0 382.961 2.655 20 0 GFADRO CS(=O)(=O)[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1 ZINC000537406111 565058198 /nfs/dbraw/zinc/05/81/98/565058198.db2.gz DLFMUERNTXQLCN-HFBAOOFYSA-N 1 0 388.892 2.530 20 0 GFADRO C[N@@H+]1CC[C@H]2CCN(C(=O)c3cccc(F)c3I)[C@@H]2C1 ZINC000537611877 565060483 /nfs/dbraw/zinc/06/04/83/565060483.db2.gz SUJZNFPCPXPYGS-GXFFZTMASA-N 1 0 388.224 2.597 20 0 GFADRO C[N@@H+]1CC[C@H](CC(=O)N2CCO[C@H](c3ccc(F)c(Br)c3)C2)C1 ZINC000635814559 565076404 /nfs/dbraw/zinc/07/64/04/565076404.db2.gz PUMHUGKRZQQNHQ-WBMJQRKESA-N 1 0 385.277 2.830 20 0 GFADRO [NH3+][C@H]1CCN(CC(=O)Nc2ccc(Oc3ccc(Br)cc3)nc2)C1 ZINC000584351430 565077269 /nfs/dbraw/zinc/07/72/69/565077269.db2.gz IARIIRVERLVTHH-ZDUSSCGKSA-N 1 0 391.269 2.608 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCC(F)(F)C1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000684677695 565079178 /nfs/dbraw/zinc/07/91/78/565079178.db2.gz CUWJWBGYXAOYTF-WCBMZHEXSA-N 1 0 383.258 2.935 20 0 GFADRO C[N@@H+]1CC[C@@H](CC(=O)N(CCn2ccnc2)Cc2ccc(Br)o2)C1 ZINC000635916470 565081612 /nfs/dbraw/zinc/08/16/12/565081612.db2.gz LHJKDFUFYZSMTK-AWEZNQCLSA-N 1 0 395.301 2.609 20 0 GFADRO CS[C@@H]1CN(c2nc(N(C)C)cc(C(F)(F)F)n2)C[C@H]1[NH+]1CCCC1 ZINC000613916445 565086842 /nfs/dbraw/zinc/08/68/42/565086842.db2.gz QWGICWOOKSTBNT-VXGBXAGGSA-N 1 0 375.464 2.577 20 0 GFADRO C[NH+](C)C[C@]1(O)CCCN(C(=O)CCOc2cccc(Cl)c2Cl)C1 ZINC000614068034 565093919 /nfs/dbraw/zinc/09/39/19/565093919.db2.gz KQVSYJWRURAVBG-QGZVFWFLSA-N 1 0 375.296 2.677 20 0 GFADRO CC[N@H+]1C[C@@H](C)N(C(=O)CCNC(=O)c2ccc(Br)cc2)[C@@H](C)C1 ZINC000685074995 565095176 /nfs/dbraw/zinc/09/51/76/565095176.db2.gz AFGFOHZWBLRJBK-OKILXGFUSA-N 1 0 396.329 2.510 20 0 GFADRO CC1(C)[C@H]([NH2+]C[C@H](O)COc2cccc(Br)c2)[C@@H]2CCCO[C@@H]21 ZINC000584761885 565096327 /nfs/dbraw/zinc/09/63/27/565096327.db2.gz YKAJYCDTBKYEOE-LLLHUVSDSA-N 1 0 384.314 2.982 20 0 GFADRO C[N@H+]1C[C@H]2CN(C(=O)c3cc(Br)cc(N4CCCC4)c3)C[C@H]2C1 ZINC000614123283 565097428 /nfs/dbraw/zinc/09/74/28/565097428.db2.gz ARESURAIVUEKOW-GASCZTMLSA-N 1 0 378.314 2.683 20 0 GFADRO Cn1ncc(C2CCC2)c1C[NH2+]C[C@H](O)COc1ccccc1Br ZINC000657400842 565100055 /nfs/dbraw/zinc/10/00/55/565100055.db2.gz XHYWWFMXMBAADD-AWEZNQCLSA-N 1 0 394.313 2.980 20 0 GFADRO Cc1c(Br)cccc1C[C@@H](CO)C[NH2+]Cc1cc2n(n1)CCC2 ZINC000657484977 565102708 /nfs/dbraw/zinc/10/27/08/565102708.db2.gz HQYJTWTZPQPNIZ-CQSZACIVSA-N 1 0 378.314 2.841 20 0 GFADRO COCCNC(=O)[C@H]1CC[C@H](C)[N@H+](Cc2cscc2Br)C1 ZINC000685411356 565104941 /nfs/dbraw/zinc/10/49/41/565104941.db2.gz QNKRKBUUUMLMPL-RYUDHWBXSA-N 1 0 375.332 2.874 20 0 GFADRO C[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)Nc1cccc(Br)c1F ZINC000657524522 565105840 /nfs/dbraw/zinc/10/58/40/565105840.db2.gz ZRKQWHVUAHMTPN-NSHDSACASA-N 1 0 386.265 2.517 20 0 GFADRO CO[C@H](C[NH2+]Cc1c(Br)cncc1Br)[C@H]1CCOC1 ZINC000657540605 565107453 /nfs/dbraw/zinc/10/74/53/565107453.db2.gz IRJCAUGFNIDGIO-TVQRCGJNSA-N 1 0 394.107 2.748 20 0 GFADRO CC[NH+](CC)CC[C@@H](CO)NC(=O)c1ccc(Br)c(F)c1C ZINC000614347825 565108445 /nfs/dbraw/zinc/10/84/45/565108445.db2.gz JWNZMAGUKXUMJI-LBPRGKRZSA-N 1 0 375.282 2.719 20 0 GFADRO COc1cc(C[NH2+][C@@H]2Cc3ccccc3N(C)C2=O)cc(Br)c1O ZINC000657572547 565110668 /nfs/dbraw/zinc/11/06/68/565110668.db2.gz ZZMFDUYGTLGFSQ-CQSZACIVSA-N 1 0 391.265 2.841 20 0 GFADRO Cc1c(F)c(Br)ccc1C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000614449466 565113496 /nfs/dbraw/zinc/11/34/96/565113496.db2.gz FKISDPQTMBQZCW-UHFFFAOYSA-N 1 0 386.309 2.652 20 0 GFADRO CC(=O)N(C)C1CC[NH+](C[C@@H](O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000586767868 565114924 /nfs/dbraw/zinc/11/49/24/565114924.db2.gz URLCHHLUDVWXLJ-CQSZACIVSA-N 1 0 375.296 2.676 20 0 GFADRO O=C(NC[C@H]1C[N@@H+]2CCN1CCC2)c1cc(Br)cc2ccccc21 ZINC000614506826 565116345 /nfs/dbraw/zinc/11/63/45/565116345.db2.gz JERPYZZCEFORGK-INIZCTEOSA-N 1 0 388.309 2.722 20 0 GFADRO CCC[NH+]1CCC(NC(=O)C(=O)Nc2cccc(Br)c2F)CC1 ZINC000657666084 565118106 /nfs/dbraw/zinc/11/81/06/565118106.db2.gz SLRLGIABBBLLMG-UHFFFAOYSA-N 1 0 386.265 2.517 20 0 GFADRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)Cc1cccc(I)c1 ZINC000586827675 565118744 /nfs/dbraw/zinc/11/87/44/565118744.db2.gz VCTIAWMUXRVBJQ-CZUORRHYSA-N 1 0 398.288 2.919 20 0 GFADRO OC[C@@H](C[NH2+]Cc1ccc(Br)cc1N1CCOCC1)CC1CC1 ZINC000657715228 565121565 /nfs/dbraw/zinc/12/15/65/565121565.db2.gz KUGVUQYZABMXCF-OAHLLOKOSA-N 1 0 383.330 2.784 20 0 GFADRO Cc1ccc(Cl)c(S(=O)(=O)NCCCCN2CC[NH+](C)CC2)c1Cl ZINC000614601869 565122282 /nfs/dbraw/zinc/12/22/82/565122282.db2.gz XFSZKVYNQWCCPP-UHFFFAOYSA-N 1 0 394.368 2.608 20 0 GFADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+]CC1CCC(O)CC1 ZINC000657740364 565125826 /nfs/dbraw/zinc/12/58/26/565125826.db2.gz ODTWVNOYYAXMQO-VEAWUBTESA-N 1 0 399.329 2.603 20 0 GFADRO C[C@H](NC(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1)[C@H](O)C(F)(F)F ZINC000636839670 565127282 /nfs/dbraw/zinc/12/72/82/565127282.db2.gz DTGFKIDRLJQRSH-VTPLQMEGSA-N 1 0 379.448 2.742 20 0 GFADRO CC(C)(C[NH2+]Cc1cc2c(cc1Br)OCO2)[C@]1(O)CCCOC1 ZINC000657765143 565127512 /nfs/dbraw/zinc/12/75/12/565127512.db2.gz GKEMQDLUOAPIMO-KRWDZBQOSA-N 1 0 386.286 2.835 20 0 GFADRO CC(C)(C[NH2+]Cc1cnc2ccc(Br)cn12)[C@]1(O)CCCOC1 ZINC000657764130 565128017 /nfs/dbraw/zinc/12/80/17/565128017.db2.gz COCAZSSQEDYUHL-KRWDZBQOSA-N 1 0 382.302 2.754 20 0 GFADRO C[NH+](C)[C@@]1(CNC(=O)N[C@@H](CCO)c2ccc(Cl)c(F)c2)CCSC1 ZINC000636905987 565130226 /nfs/dbraw/zinc/13/02/26/565130226.db2.gz ONZWOQAUKOZBRB-DOTOQJQBSA-N 1 0 389.924 2.639 20 0 GFADRO CC[C@H](Cc1ccc(Br)cc1)[NH2+]CC(C)(C)NS(C)(=O)=O ZINC000657913945 565136766 /nfs/dbraw/zinc/13/67/66/565136766.db2.gz QUQRAAWNJZUGPE-CQSZACIVSA-N 1 0 377.348 2.688 20 0 GFADRO CC[C@@H](Cc1ccc(Br)cc1)[NH2+]CC(C)(C)NS(C)(=O)=O ZINC000657913944 565137283 /nfs/dbraw/zinc/13/72/83/565137283.db2.gz QUQRAAWNJZUGPE-AWEZNQCLSA-N 1 0 377.348 2.688 20 0 GFADRO C[C@@H](NC(=O)NCCOCC[NH+](C)C)c1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC000637079283 565137927 /nfs/dbraw/zinc/13/79/27/565137927.db2.gz VDZPBBQBSZNZFX-SNVBAGLBSA-N 1 0 388.299 2.808 20 0 GFADRO C[C@H](NC(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1)c1ncnn1C ZINC000637080862 565138024 /nfs/dbraw/zinc/13/80/24/565138024.db2.gz SASLPKIZSFEILJ-IINYFYTJSA-N 1 0 385.299 2.785 20 0 GFADRO C[C@H](NC(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1)c1ncnn1C ZINC000637080861 565138321 /nfs/dbraw/zinc/13/83/21/565138321.db2.gz SASLPKIZSFEILJ-HZMBPMFUSA-N 1 0 385.299 2.785 20 0 GFADRO C[C@H](NC(=O)NCCOCC[NH+](C)C)c1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC000637079282 565138407 /nfs/dbraw/zinc/13/84/07/565138407.db2.gz VDZPBBQBSZNZFX-JTQLQIEISA-N 1 0 388.299 2.808 20 0 GFADRO COCCC[NH+]1CCC(NC(=O)C(=O)Nc2cccc(Cl)c2Cl)CC1 ZINC000589017485 565146426 /nfs/dbraw/zinc/14/64/26/565146426.db2.gz GUTJEZFPLNHKGG-UHFFFAOYSA-N 1 0 388.295 2.549 20 0 GFADRO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CC[C@@H](Oc2cncc(Br)c2)C1 ZINC000615125926 565146494 /nfs/dbraw/zinc/14/64/94/565146494.db2.gz DCHYHBUXVMSKBH-UMVBOHGHSA-N 1 0 382.302 2.697 20 0 GFADRO CNC(=O)c1cccc(NC(=O)C2CC[NH+](C(C)C)CC2)c1Br ZINC000637262431 565147676 /nfs/dbraw/zinc/14/76/76/565147676.db2.gz MNULJRSBUFFCQQ-UHFFFAOYSA-N 1 0 382.302 2.868 20 0 GFADRO O=C(Nc1cccc(Br)c1F)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000658055876 565148751 /nfs/dbraw/zinc/14/87/51/565148751.db2.gz JSCLXVWNLUUSAL-JSGCOSHPSA-N 1 0 398.276 2.660 20 0 GFADRO C[N@@H+]1C[C@H]2CCN(C(=O)c3cc(Br)cc(N4CCCC4)c3)[C@@H]2C1 ZINC000615181586 565149234 /nfs/dbraw/zinc/14/92/34/565149234.db2.gz BRQWJLFDLTWIPQ-CXAGYDPISA-N 1 0 378.314 2.825 20 0 GFADRO O=C(NCC[NH2+][C@@H]1CCCC[C@@H]1[C@H]1CCOC1)c1ccc(Br)cn1 ZINC000658092603 565149577 /nfs/dbraw/zinc/14/95/77/565149577.db2.gz OKGUWPXAUKJKNS-NUEKZKHPSA-N 1 0 396.329 2.759 20 0 GFADRO CO[C@@H](c1ccccc1)[C@@H](C)[NH2+]CCNC(=O)c1ccc(Br)cn1 ZINC000658093497 565150894 /nfs/dbraw/zinc/15/08/94/565150894.db2.gz WVVUHWULRWJVRN-CXAGYDPISA-N 1 0 392.297 2.940 20 0 GFADRO C[C@H]([NH2+]C[C@]1(OCCO)CCOC1)c1ccc(Br)c(Cl)c1 ZINC000658147394 565153316 /nfs/dbraw/zinc/15/33/16/565153316.db2.gz ZTGKUSPDANLZFN-XHDPSFHLSA-N 1 0 378.694 2.921 20 0 GFADRO C[C@@H]1C[N@H+](C)[C@H](C)[C@@H](C)N1C(=O)c1ccc2cncc(Br)c2n1 ZINC000637380092 565153564 /nfs/dbraw/zinc/15/35/64/565153564.db2.gz PQHXXCJXUZYVOH-IJLUTSLNSA-N 1 0 377.286 2.945 20 0 GFADRO COc1ncc(Br)cc1CNC(=O)NC(C)(C)CCC[NH+](C)C ZINC000637405636 565154639 /nfs/dbraw/zinc/15/46/39/565154639.db2.gz OYFHMFYHOSAFDI-UHFFFAOYSA-N 1 0 387.322 2.772 20 0 GFADRO C[C@H](C(=O)N1CCOC[C@@H]1[C@H]1CCC[N@@H+]1C)c1ccc(Br)cc1 ZINC000615270832 565155299 /nfs/dbraw/zinc/15/52/99/565155299.db2.gz SFTUHSPIWRNSAP-IAOVAPTHSA-N 1 0 381.314 2.874 20 0 GFADRO O=S1(=O)CC[C@H]([NH2+][C@@H]2C[C@@H](O)C23CCC3)c2cc(Br)ccc21 ZINC000658253990 565155917 /nfs/dbraw/zinc/15/59/17/565155917.db2.gz WZRTVEFNCYJJKH-NWANDNLSSA-N 1 0 386.311 2.561 20 0 GFADRO Cc1cccc(NC(=O)C(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)c1Br ZINC000658263479 565157087 /nfs/dbraw/zinc/15/70/87/565157087.db2.gz KBLWJXZHQFNRRR-LBPRGKRZSA-N 1 0 382.302 2.685 20 0 GFADRO C[NH+](C)C[C@@H](NC(=O)NC[C@]1(O)CCSC1)c1ccc(Cl)c(Cl)c1 ZINC000637472680 565159382 /nfs/dbraw/zinc/15/93/82/565159382.db2.gz HCXDAPMIARIUTG-GDBMZVCRSA-N 1 0 392.352 2.763 20 0 GFADRO C[C@@H](NS(=O)(=O)c1cc(Cl)ccc1OC(F)(F)F)[C@@H]1CCC[NH2+]C1 ZINC000658365642 565161501 /nfs/dbraw/zinc/16/15/01/565161501.db2.gz UFQIVKOYPHJBGF-NXEZZACHSA-N 1 0 386.823 2.905 20 0 GFADRO CCCOc1ccc(Br)cc1S(=O)(=O)NC[C@H]1CCCC[NH2+]1 ZINC000658365413 565161976 /nfs/dbraw/zinc/16/19/76/565161976.db2.gz QAZFWMAOZRGYJS-CYBMUJFWSA-N 1 0 391.331 2.658 20 0 GFADRO CCCOc1c(Br)cc(C(=O)N2CC(C[NH+](C)C)C2)cc1OC ZINC000615516037 565164054 /nfs/dbraw/zinc/16/40/54/565164054.db2.gz ZFYOCNMLAZNXSH-UHFFFAOYSA-N 1 0 385.302 2.880 20 0 GFADRO CCCOc1ccc(Br)cc1S(=O)(=O)N[C@H]1CC[NH2+][C@@H](C)C1 ZINC000658377491 565164677 /nfs/dbraw/zinc/16/46/77/565164677.db2.gz GVXWOWSMCJNGES-AAEUAGOBSA-N 1 0 391.331 2.657 20 0 GFADRO O=S(=O)(c1cc(Cl)cc(Br)c1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000658379957 565164737 /nfs/dbraw/zinc/16/47/37/565164737.db2.gz BLGURPQEMORGNP-PHIMTYICSA-N 1 0 393.734 2.723 20 0 GFADRO O=S(=O)(N[C@H]1CC12CC[NH2+]CC2)c1cc(Cl)ccc1OC(F)(F)F ZINC000658380489 565164954 /nfs/dbraw/zinc/16/49/54/565164954.db2.gz SZPKOKIKVUDPHV-LBPRGKRZSA-N 1 0 384.807 2.659 20 0 GFADRO CCCOc1ccc(Br)cc1S(=O)(=O)NCCC1(C[NH3+])CC1 ZINC000658383405 565166105 /nfs/dbraw/zinc/16/61/05/565166105.db2.gz HMXGLHSDRIMLFF-UHFFFAOYSA-N 1 0 391.331 2.645 20 0 GFADRO C[NH+](C)CCOc1ccc(CNc2ccc(I)cn2)cc1 ZINC000615567891 565166885 /nfs/dbraw/zinc/16/68/85/565166885.db2.gz KXRIFAWFZOFNDS-UHFFFAOYSA-N 1 0 397.260 2.661 20 0 GFADRO COc1ccc(Cl)cc1S(=O)(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000658391113 565167077 /nfs/dbraw/zinc/16/70/77/565167077.db2.gz PNQLFEKRBANSSS-HZPDHXFCSA-N 1 0 380.897 2.773 20 0 GFADRO O=S(=O)(N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)c1ccccc1Br ZINC000658391084 565167146 /nfs/dbraw/zinc/16/71/46/565167146.db2.gz OGINKSPWQIHIFK-GDBMZVCRSA-N 1 0 395.322 2.873 20 0 GFADRO CSC1(CNC(=O)NC2CCN(c3cccs3)CC2)CC[NH+](C)CC1 ZINC000589629041 565167938 /nfs/dbraw/zinc/16/79/38/565167938.db2.gz PXOSTWGRLIYCJJ-UHFFFAOYSA-N 1 0 382.599 2.844 20 0 GFADRO C[C@H](NC(=O)NC[C@@](C)(O)C[NH+](C)C)c1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC000637671661 565168443 /nfs/dbraw/zinc/16/84/43/565168443.db2.gz LKUQMQDQSAIXGV-XXFAHNHDSA-N 1 0 388.299 2.543 20 0 GFADRO C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)COc1ccc(Br)cc1F)C2 ZINC000615627109 565168744 /nfs/dbraw/zinc/16/87/44/565168744.db2.gz SMLVLTKNXGBLEI-KRWDZBQOSA-N 1 0 385.277 2.911 20 0 GFADRO O=C(NC[C@@H]1CCCC[N@H+]1CCO)c1c(Cl)cccc1Br ZINC000615657128 565169203 /nfs/dbraw/zinc/16/92/03/565169203.db2.gz NDAYUZLIRLVNAS-NSHDSACASA-N 1 0 375.694 2.679 20 0 GFADRO CCN(C(=O)C(=O)Nc1cc(Cl)c(Cl)cc1OC)[C@H]1CC[N@H+](CC)C1 ZINC000658468035 565171120 /nfs/dbraw/zinc/17/11/20/565171120.db2.gz QDUPECMLNAOUFO-NSHDSACASA-N 1 0 388.295 2.883 20 0 GFADRO CCN(C(=O)C(=O)Nc1cc(C)cc(Br)c1)[C@@H]1CC[N@H+](CC)C1 ZINC000658469214 565171133 /nfs/dbraw/zinc/17/11/33/565171133.db2.gz XGQRYSHWQJYILF-OAHLLOKOSA-N 1 0 382.302 2.639 20 0 GFADRO O=C(NCC[C@H]1CCC[NH2+]C1)N1CCO[C@@H](c2cccc(Br)c2)C1 ZINC000637770960 565171549 /nfs/dbraw/zinc/17/15/49/565171549.db2.gz GPGGJULNFMZKEE-RHSMWYFYSA-N 1 0 396.329 2.922 20 0 GFADRO CCN(C(=O)C(=O)Nc1ccc(Br)c(C)c1)[C@@H]1CC[N@H+](CC)C1 ZINC000658464704 565171875 /nfs/dbraw/zinc/17/18/75/565171875.db2.gz SMHXUKQXIFGKHQ-CQSZACIVSA-N 1 0 382.302 2.639 20 0 GFADRO O=C(Cn1cc(Br)cn1)N[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000589884171 565172715 /nfs/dbraw/zinc/17/27/15/565172715.db2.gz ZMCKRUCCBIGFGD-QGZVFWFLSA-N 1 0 391.313 2.989 20 0 GFADRO CCSc1ccc(CC(=O)N2CCO[C@H]([C@@H](C)[NH3+])C2)c(Br)c1 ZINC000637866726 565173990 /nfs/dbraw/zinc/17/39/90/565173990.db2.gz PIFOZBHYOJCWBD-ABAIWWIYSA-N 1 0 387.343 2.678 20 0 GFADRO O[C@]1(C(F)(F)F)CC[C@H]([NH2+]Cc2ncc(I)s2)C1 ZINC000589938325 565174263 /nfs/dbraw/zinc/17/42/63/565174263.db2.gz MRAIPPGEENJQTD-IMTBSYHQSA-N 1 0 392.184 2.683 20 0 GFADRO CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)C1=CC[C@@H]([NH3+])C1 ZINC000637882763 565175618 /nfs/dbraw/zinc/17/56/18/565175618.db2.gz YGIWJMZQUDVIHY-SNVBAGLBSA-N 1 0 375.778 2.803 20 0 GFADRO Cc1cc(C)c(C(=O)N2CC[C@H]3C[N@@H+](C)C[C@H]32)cc1I ZINC000590046402 565176508 /nfs/dbraw/zinc/17/65/08/565176508.db2.gz CCVHVUJVHCLHRA-SWLSCSKDSA-N 1 0 384.261 2.684 20 0 GFADRO [NH3+]Cc1ncc(C(=O)NCC2(c3ccc(Br)cc3)CCC2)cn1 ZINC000637943480 565177688 /nfs/dbraw/zinc/17/76/88/565177688.db2.gz FYZPWOXTEVDAOE-UHFFFAOYSA-N 1 0 375.270 2.550 20 0 GFADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H](C)Oc1ccc(Cl)c(Cl)c1 ZINC000590116944 565179073 /nfs/dbraw/zinc/17/90/73/565179073.db2.gz HGVPOAXEJBGYCR-STQMWFEESA-N 1 0 375.296 2.988 20 0 GFADRO CCC(=O)N1CSC[C@H]1C(=O)N(CC[NH+](C)C)Cc1cccc(Cl)c1 ZINC000590270777 565182953 /nfs/dbraw/zinc/18/29/53/565182953.db2.gz BUOOHZTWRBBXPT-INIZCTEOSA-N 1 0 383.945 2.542 20 0 GFADRO COc1cc(C(=O)Nc2cnc3c(c2)C[C@@H]([NH3+])CC3)ccc1Br ZINC000638155499 565186211 /nfs/dbraw/zinc/18/62/11/565186211.db2.gz OZMPYIHPCGIQBJ-LBPRGKRZSA-N 1 0 376.254 2.921 20 0 GFADRO O=C(c1cc(Br)c2nccn2c1)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000638144184 565186580 /nfs/dbraw/zinc/18/65/80/565186580.db2.gz LTAOSZMCNONCIT-SWLSCSKDSA-N 1 0 377.286 2.701 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)[C@@H]3[C@@H]4Cc5cc(Br)ccc5[C@@H]43)C[C@@H]21 ZINC000638163460 565187933 /nfs/dbraw/zinc/18/79/33/565187933.db2.gz FRDBDVIERDWWNU-JISQNWMHSA-N 1 0 375.310 2.921 20 0 GFADRO Cc1cc(I)cc(C(=O)N2CC[C@H]3C[N@@H+](C)C[C@@H]32)c1C ZINC000590446912 565189557 /nfs/dbraw/zinc/18/95/57/565189557.db2.gz XBVWIARLDZZVJG-WFASDCNBSA-N 1 0 384.261 2.684 20 0 GFADRO COc1nsc(CNc2cc(C(N)=O)ccc2C[NH+](C)C)c1Br ZINC000638258656 565190034 /nfs/dbraw/zinc/19/00/34/565190034.db2.gz KSHRWGLRPUSOTH-UHFFFAOYSA-N 1 0 399.314 2.687 20 0 GFADRO COc1cc(C(=O)N2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)ccc1Br ZINC000638345621 565192489 /nfs/dbraw/zinc/19/24/89/565192489.db2.gz XBGVLWLNPUVLOE-ZBFHGGJFSA-N 1 0 397.313 2.816 20 0 GFADRO CO[C@@H](C[NH2+]Cc1nnc2c(Cl)cc(C(F)(F)F)cn12)[C@@H]1CCOC1 ZINC000638344298 565192886 /nfs/dbraw/zinc/19/28/86/565192886.db2.gz TWSPJNOSKOBKIM-SKDRFNHKSA-N 1 0 378.782 2.543 20 0 GFADRO C[C@@H]1C[C@@H](C)N(C(=O)c2ccc3cncc(Br)c3n2)C[C@H]1C[NH3+] ZINC000638356340 565193737 /nfs/dbraw/zinc/19/37/37/565193737.db2.gz HCFNJSHJXBZEGI-NQBHXWOUSA-N 1 0 377.286 2.838 20 0 GFADRO COc1cc(C(=O)N2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)ccc1Br ZINC000638384065 565193871 /nfs/dbraw/zinc/19/38/71/565193871.db2.gz MMSBIRMBEUBXFT-DZKIICNBSA-N 1 0 397.313 2.816 20 0 GFADRO COc1nsc(C[NH2+]C[C@@H]2CCN(CC(F)(F)F)C2)c1Br ZINC000638380769 565194017 /nfs/dbraw/zinc/19/40/17/565194017.db2.gz DMBUKRBZMAOFMZ-QMMMGPOBSA-N 1 0 388.253 2.888 20 0 GFADRO C[N@H+](CCCCNC(=O)[C@@H]1CCO[C@H]1c1cncc(Br)c1)C1CC1 ZINC000616185613 565194162 /nfs/dbraw/zinc/19/41/62/565194162.db2.gz BFGRGWLUQKHFAX-SJORKVTESA-N 1 0 396.329 2.912 20 0 GFADRO CC[C@H]1C[C@@H]([NH2+]CC(=O)Nc2ccc(I)cc2)CCO1 ZINC000590653588 565195156 /nfs/dbraw/zinc/19/51/56/565195156.db2.gz WZONSAHNCBNSAM-KBPBESRZSA-N 1 0 388.249 2.777 20 0 GFADRO CN(CCCC[NH+](C)C)C(=O)c1ccc(I)cc1F ZINC000590670981 565196102 /nfs/dbraw/zinc/19/61/02/565196102.db2.gz LTMHSDNZLKEGET-UHFFFAOYSA-N 1 0 378.229 2.844 20 0 GFADRO C[C@@H](C[C@@H]1CCCC(=O)N1)[NH2+]CCCNC(=O)c1cccc(Br)c1 ZINC000638476859 565197657 /nfs/dbraw/zinc/19/76/57/565197657.db2.gz POITYSGSVLBOHD-BBRMVZONSA-N 1 0 396.329 2.606 20 0 GFADRO CC[C@@H](Cc1ccc(Br)cc1)NC(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000659026207 565198936 /nfs/dbraw/zinc/19/89/36/565198936.db2.gz ZKUCYEBLMHNCAQ-RYUDHWBXSA-N 1 0 382.224 2.959 20 0 GFADRO CCN(CC[NH3+])C(=O)c1c(C)nn(Cc2cccc(Br)c2)c1C ZINC000638518643 565200723 /nfs/dbraw/zinc/20/07/23/565200723.db2.gz FYZGZLGQQBHPAR-UHFFFAOYSA-N 1 0 379.302 2.732 20 0 GFADRO CC(C)c1n[nH]c(C(=O)N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)c1Br ZINC000638551772 565201421 /nfs/dbraw/zinc/20/14/21/565201421.db2.gz VLGFBOBFKHNBDO-BDAKNGLRSA-N 1 0 397.239 2.895 20 0 GFADRO Cc1cc(Br)c(Cl)cc1NC(=O)C(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000659087441 565201758 /nfs/dbraw/zinc/20/17/58/565201758.db2.gz RPVMMBPYQJDPTC-ZJUUUORDSA-N 1 0 388.693 2.593 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)COc2ccc(Br)cc2)CC[C@@H]1C(F)(F)F ZINC000638547765 565201848 /nfs/dbraw/zinc/20/18/48/565201848.db2.gz KJWJPGSHEZQWDS-GWCFXTLKSA-N 1 0 395.219 2.814 20 0 GFADRO CN(CC(C)(C)[NH3+])C(=O)C(=O)Nc1cc(Br)cc(C(F)(F)F)c1 ZINC000659093594 565201936 /nfs/dbraw/zinc/20/19/36/565201936.db2.gz YXNYVSVYXFZFIE-UHFFFAOYSA-N 1 0 396.207 2.602 20 0 GFADRO CN(CC[NH+]1CCCCC1)C(=O)c1cc(Br)cc2c1OCCO2 ZINC000616566422 565205432 /nfs/dbraw/zinc/20/54/32/565205432.db2.gz PMNDJFMIDLXDOS-UHFFFAOYSA-N 1 0 383.286 2.778 20 0 GFADRO [NH3+]C1(C(=O)N[C@@H]2CCN(c3ccccc3Br)C2)CC2(CCC2)C1 ZINC000659257955 565208945 /nfs/dbraw/zinc/20/89/45/565208945.db2.gz YZKICYLIBPCIFP-CYBMUJFWSA-N 1 0 378.314 2.806 20 0 GFADRO COC(=O)[C@H](c1ccc(Cl)c(Cl)c1)N1CC[N@H+](CCO)C(C)(C)C1 ZINC000616780630 565209374 /nfs/dbraw/zinc/20/93/74/565209374.db2.gz IBEFIWPTBXWYSM-HNNXBMFYSA-N 1 0 375.296 2.596 20 0 GFADRO O=C([C@@H]1C[NH2+]CCC1(F)F)N1CCc2cc(F)cc(Br)c2C1 ZINC000638772880 565210339 /nfs/dbraw/zinc/21/03/39/565210339.db2.gz AGIOQLYGXDEMKU-LBPRGKRZSA-N 1 0 377.204 2.718 20 0 GFADRO [NH3+]C[C@H](NC(=O)c1cc(Br)cc(N2CCCC2)c1)C(F)(F)F ZINC000659331051 565212565 /nfs/dbraw/zinc/21/25/65/565212565.db2.gz YZIFJWYKNVWRMB-LBPRGKRZSA-N 1 0 380.208 2.669 20 0 GFADRO CN(CCC(=O)N[C@](C)(CO)c1ccc(Br)cc1)c1cc[nH+]cc1 ZINC000616832810 565212583 /nfs/dbraw/zinc/21/25/83/565212583.db2.gz WESASWUWJALUSU-GOSISDBHSA-N 1 0 392.297 2.694 20 0 GFADRO CC[C@@H]([NH2+]CCC(=O)NCCC(=O)OC)c1cc(F)cc(Br)c1 ZINC000591030150 565213105 /nfs/dbraw/zinc/21/31/05/565213105.db2.gz IHDHHGKTHJDKSJ-CQSZACIVSA-N 1 0 389.265 2.698 20 0 GFADRO [NH3+][C@@H]1CCCCCN(C(=O)c2cc(=O)c3cc(Br)ccc3[nH]2)C1 ZINC000638819734 565213268 /nfs/dbraw/zinc/21/32/68/565213268.db2.gz WYFMTQKJTZEIPZ-GFCCVEGCSA-N 1 0 378.270 2.634 20 0 GFADRO COC1(C(=O)NCC2(Cc3ccc(Br)cc3)CC2)CC[NH2+]CC1 ZINC000659359039 565214222 /nfs/dbraw/zinc/21/42/22/565214222.db2.gz NUNGNYIHNLYCNR-UHFFFAOYSA-N 1 0 381.314 2.657 20 0 GFADRO COc1cccc([C@H]([NH3+])C(=O)N[C@@H]2[C@H]3Cc4c(cccc4Br)[C@@H]23)c1 ZINC000638831408 565214294 /nfs/dbraw/zinc/21/42/94/565214294.db2.gz KPYKGOUHXVZWTM-XOYOTBSWSA-N 1 0 387.277 2.912 20 0 GFADRO [NH3+]C[C@H](C(=O)N1CCN(c2ccc(Br)cc2)CC1)c1ccccc1 ZINC000659357008 565214513 /nfs/dbraw/zinc/21/45/13/565214513.db2.gz CUHMBHXJDHDSSO-SFHVURJKSA-N 1 0 388.309 2.840 20 0 GFADRO O=C([C@@H]1C[C@@]12CCC[NH2+]C2)N1CCOC[C@H]1c1cccc(Br)c1 ZINC000659371860 565215507 /nfs/dbraw/zinc/21/55/07/565215507.db2.gz YOKCRTZTFHKHJF-XYJFISCASA-N 1 0 379.298 2.739 20 0 GFADRO [NH3+][C@@H](CCNC(=O)c1sc2c(c1Br)CNC2)Cc1ccccc1 ZINC000638883276 565216020 /nfs/dbraw/zinc/21/60/20/565216020.db2.gz ZLORBECOINBCEQ-LBPRGKRZSA-N 1 0 394.338 2.804 20 0 GFADRO C[C@@H]1CN(C(=O)Cc2csc(COc3ccc(Cl)cc3)n2)C[C@H]1C[NH3+] ZINC000638893989 565216961 /nfs/dbraw/zinc/21/69/61/565216961.db2.gz MMRFQSHXGRISTH-CHWSQXEVSA-N 1 0 379.913 2.971 20 0 GFADRO CC[N@@H+]1CCCC[C@H]1C(=O)NCc1cc(Br)c2c(c1)OCCO2 ZINC000591162740 565217459 /nfs/dbraw/zinc/21/74/59/565217459.db2.gz IWUUQVLHSFRPPS-AWEZNQCLSA-N 1 0 383.286 2.711 20 0 GFADRO Cc1nc(CCC(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)oc1-c1ccc(Br)cc1 ZINC000638913707 565217563 /nfs/dbraw/zinc/21/75/63/565217563.db2.gz CTJCVMVBULHLFO-GJZGRUSLSA-N 1 0 390.281 2.918 20 0 GFADRO C[C@H](CNC(=O)NCC12CC(C1)C[NH2+]2)Sc1ccc(Br)cc1 ZINC000659452282 565217830 /nfs/dbraw/zinc/21/78/30/565217830.db2.gz ONYSWIZVUNUQCO-OPGSHWCFSA-N 1 0 384.343 2.981 20 0 GFADRO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)CCc1ncc(-c2ccccc2Br)o1 ZINC000638933358 565218024 /nfs/dbraw/zinc/21/80/24/565218024.db2.gz BPQXZYHDLRKBDQ-VXGBXAGGSA-N 1 0 378.270 2.985 20 0 GFADRO CC(C)[C@H]([NH3+])CCNC(=O)N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000659478647 565218260 /nfs/dbraw/zinc/21/82/60/565218260.db2.gz ASKDTHGZDAKBNI-CABCVRRESA-N 1 0 387.311 2.771 20 0 GFADRO C[C@H]1C[C@H]([NH3+])CN1C(=O)c1ccc(NC(=O)c2ccc(Br)o2)cc1 ZINC000638935607 565218359 /nfs/dbraw/zinc/21/83/59/565218359.db2.gz ANZVHISYOGINOV-JQWIXIFHSA-N 1 0 392.253 2.856 20 0 GFADRO C[C@H](NC(=O)N1CCOC[C@@H]1c1ccc(Br)cc1)[C@@H]1CCC[NH2+]C1 ZINC000659513177 565218911 /nfs/dbraw/zinc/21/89/11/565218911.db2.gz WLVXUQSPKIEDKI-YSVLISHTSA-N 1 0 396.329 2.920 20 0 GFADRO [NH3+]C[C@H]1CC[C@H](NC(=O)[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)CC1 ZINC000638946744 565219112 /nfs/dbraw/zinc/21/91/12/565219112.db2.gz BQKZDCIDVZRPKJ-YRGRVCCFSA-N 1 0 384.307 2.980 20 0 GFADRO O=C(NC[C@H]1CCCC[NH2+]1)N1CCOC[C@H]1c1ccc(Br)cc1 ZINC000659509187 565219191 /nfs/dbraw/zinc/21/91/91/565219191.db2.gz XYAQXRDYGPHRPH-CVEARBPZSA-N 1 0 382.302 2.674 20 0 GFADRO O=C(NCC1CC[NH2+]CC1)N1CCOC[C@H]1c1ccc(Br)cc1 ZINC000659507575 565219261 /nfs/dbraw/zinc/21/92/61/565219261.db2.gz KVVRHWCQYFRGAP-INIZCTEOSA-N 1 0 382.302 2.532 20 0 GFADRO [NH3+]C1CCC(NC(=O)N2CCOC[C@H]2c2ccc(Br)cc2)CC1 ZINC000659519550 565219312 /nfs/dbraw/zinc/21/93/12/565219312.db2.gz RWVRNOBUOFGPGA-GPANFISMSA-N 1 0 382.302 2.802 20 0 GFADRO COc1cc(C(=O)Nc2cc(N3CC[NH2+]CC3)ccn2)sc1Br ZINC000638984547 565219892 /nfs/dbraw/zinc/21/98/92/565219892.db2.gz MFZSFHKHACLWJA-UHFFFAOYSA-N 1 0 397.298 2.576 20 0 GFADRO C[C@@H]([NH3+])CNC(=O)N1CCc2cc(Br)c(Br)cc2C1 ZINC000659535607 565220359 /nfs/dbraw/zinc/22/03/59/565220359.db2.gz BAMBTLWYXDVJBZ-MRVPVSSYSA-N 1 0 391.107 2.627 20 0 GFADRO [NH3+][C@H]1CC[C@H](NC(=O)[C@@H]2CCCN2C(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000639026520 565220931 /nfs/dbraw/zinc/22/09/31/565220931.db2.gz JRPBAGAKKZUUGN-XEZPLFJOSA-N 1 0 384.307 2.984 20 0 GFADRO [NH3+]C1(CNC(=O)N2CCOC[C@H]2c2ccc(Br)cc2)CCCC1 ZINC000659575640 565221095 /nfs/dbraw/zinc/22/10/95/565221095.db2.gz RSSOEKHAEOWSET-HNNXBMFYSA-N 1 0 382.302 2.804 20 0 GFADRO COC(=O)c1cc(NC(=O)N2CCC(C[NH3+])CC2)c(Br)cc1F ZINC000591287547 565221748 /nfs/dbraw/zinc/22/17/48/565221748.db2.gz XDLOILAHPWPCIU-UHFFFAOYSA-N 1 0 388.237 2.577 20 0 GFADRO O=C(Nc1ccc(F)cc1I)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000591288439 565221861 /nfs/dbraw/zinc/22/18/61/565221861.db2.gz RHGCYQWZVYZNDX-ZANVPECISA-N 1 0 389.212 2.646 20 0 GFADRO COC(=O)c1cc(NC(=O)NC2(C)CC[NH2+]CC2)c(Br)cc1F ZINC000591287312 565222006 /nfs/dbraw/zinc/22/20/06/565222006.db2.gz MEPXVSRXXNLEIT-UHFFFAOYSA-N 1 0 388.237 2.638 20 0 GFADRO C[C@H](C[C@H]1CCCC(=O)N1)[NH2+]C[C@H](CO)Cc1cccc(Br)c1 ZINC000639105138 565225607 /nfs/dbraw/zinc/22/56/07/565225607.db2.gz NQNLIUHAGQITNN-FRFSOERESA-N 1 0 383.330 2.637 20 0 GFADRO CNS(=O)(=O)c1ccc(C[N@H+](C)Cc2cccc(Br)c2)cc1 ZINC000659854577 565226369 /nfs/dbraw/zinc/22/63/69/565226369.db2.gz YWACBSVIHLOBTI-UHFFFAOYSA-N 1 0 383.311 2.989 20 0 GFADRO COc1nsc(CNCCC[N@@H+]2CCCO[C@@H](C)C2)c1Br ZINC000639121224 565227707 /nfs/dbraw/zinc/22/77/07/565227707.db2.gz NWJCVKAZIVUFDE-NSHDSACASA-N 1 0 378.336 2.505 20 0 GFADRO Cc1ccc(Br)c(S(=O)(=O)NCC[NH2+][C@@H](C)[C@H]2CC2(F)F)c1 ZINC000639166497 565230313 /nfs/dbraw/zinc/23/03/13/565230313.db2.gz LQPUKROYNAAJPX-WDEREUQCSA-N 1 0 397.285 2.669 20 0 GFADRO CN(C[C@H]1CCC[N@H+](Cc2ccc(CC(F)(F)F)cc2)C1)S(C)(=O)=O ZINC000639157967 565230459 /nfs/dbraw/zinc/23/04/59/565230459.db2.gz UWVYGDCZDDQOTP-MRXNPFEDSA-N 1 0 378.460 2.895 20 0 GFADRO FC(F)(F)c1ccc(I)c(N2CC[C@@H]3CC[NH2+][C@@H]3C2)n1 ZINC000591439865 565230988 /nfs/dbraw/zinc/23/09/88/565230988.db2.gz ZFNGZYBZFHVFLC-WCBMZHEXSA-N 1 0 397.182 2.893 20 0 GFADRO C[N@@H+](Cc1cnn2cc(Br)cnc12)C[C@@H](O)Cc1ccccc1 ZINC000639204868 565232441 /nfs/dbraw/zinc/23/24/41/565232441.db2.gz UIHILCJKNSBAEI-INIZCTEOSA-N 1 0 375.270 2.527 20 0 GFADRO CC[C@H](COCC(F)(F)F)[NH2+]Cc1cnn2cc(Br)cnc12 ZINC000639217494 565233126 /nfs/dbraw/zinc/23/31/26/565233126.db2.gz UJLOJMAYJGBMKP-LLVKDONJSA-N 1 0 381.196 2.939 20 0 GFADRO C[C@@H](CCc1ccc(I)cc1)[NH2+]C[C@@H]1C[C@H](F)CN1 ZINC000591581200 565233956 /nfs/dbraw/zinc/23/39/56/565233956.db2.gz MYEKQUKRXYKGRY-WHOFXGATSA-N 1 0 376.257 2.902 20 0 GFADRO COc1nsc(C[NH2+]C[C@@H](O)Cc2cccc(F)c2)c1Br ZINC000639212885 565234177 /nfs/dbraw/zinc/23/41/77/565234177.db2.gz AAPBMJDRILXMKE-NSHDSACASA-N 1 0 375.263 2.747 20 0 GFADRO COc1nsc(C[NH2+]C[C@@H](c2nnc[nH]2)c2ccccc2)c1Br ZINC000639236739 565234548 /nfs/dbraw/zinc/23/45/48/565234548.db2.gz WJOOBFUOINTIBD-LLVKDONJSA-N 1 0 394.298 2.954 20 0 GFADRO OC[C@@H](C[NH2+]C1CC(n2cccn2)C1)Cc1ccc(F)c(Br)c1 ZINC000639237285 565235069 /nfs/dbraw/zinc/23/50/69/565235069.db2.gz BSAPNTMHOAVHHC-WLYUNCDWSA-N 1 0 382.277 2.929 20 0 GFADRO OC[C@H](C[NH2+]C1CC(n2cccn2)C1)Cc1ccc(F)c(Br)c1 ZINC000639237284 565235357 /nfs/dbraw/zinc/23/53/57/565235357.db2.gz BSAPNTMHOAVHHC-NFOMZHRRSA-N 1 0 382.277 2.929 20 0 GFADRO Cn1nccc1[C@H](CO)[NH2+][C@H]1CCN(C)[C@@H](c2ccc(Br)cc2)C1 ZINC000639257404 565235870 /nfs/dbraw/zinc/23/58/70/565235870.db2.gz NDWVTGOKQNPBMP-XYJFISCASA-N 1 0 393.329 2.641 20 0 GFADRO COc1cc(CN2CCC([N@@H+]3CC[C@H](O)C3)CC2)c(F)cc1Br ZINC000639330113 565239769 /nfs/dbraw/zinc/23/97/69/565239769.db2.gz IKCVWWXRPMMNKU-AWEZNQCLSA-N 1 0 387.293 2.628 20 0 GFADRO Brc1cnc2c(CNC[C@H]3CCC[N@H+](CC4CC4)C3)cnn2c1 ZINC000639336268 565240394 /nfs/dbraw/zinc/24/03/94/565240394.db2.gz AUAYGESIUKJWOP-CQSZACIVSA-N 1 0 378.318 2.703 20 0 GFADRO O[C@@H](C[NH2+]C1(c2ccc(Br)cc2)CCC1)CC1(O)CCOCC1 ZINC000639538480 565249898 /nfs/dbraw/zinc/24/98/98/565249898.db2.gz PIFAPCMLTPGOQM-MRXNPFEDSA-N 1 0 384.314 2.710 20 0 GFADRO CCC[N@H+](C)CC(C)(C)NS(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1F ZINC000660106272 565252454 /nfs/dbraw/zinc/25/24/54/565252454.db2.gz AZOZNVNOTMOKGF-UHFFFAOYSA-N 1 0 393.912 2.836 20 0 GFADRO COCC[N@@H+]1CCC[C@@H](NC(=O)C2(c3cccc(Br)c3)CC2)C1 ZINC000592095765 565255262 /nfs/dbraw/zinc/25/52/62/565255262.db2.gz KSTFJOKKDLFCFF-MRXNPFEDSA-N 1 0 381.314 2.708 20 0 GFADRO COCC[N@@H+]1CCC[C@H](NC(=O)c2[nH]c3ccccc3c2Br)C1 ZINC000592092772 565256212 /nfs/dbraw/zinc/25/62/12/565256212.db2.gz BITJDIBMXGSKRU-LBPRGKRZSA-N 1 0 380.286 2.771 20 0 GFADRO CN(CCC[NH+](C)C)CCNC(=O)c1nc2ccccc2cc1Br ZINC000617764463 565258251 /nfs/dbraw/zinc/25/82/51/565258251.db2.gz YRHBDEJEFRANGC-UHFFFAOYSA-N 1 0 393.329 2.611 20 0 GFADRO C[C@H](C[NH+]1CCOCC1)C(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000617776552 565258394 /nfs/dbraw/zinc/25/83/94/565258394.db2.gz YCLWCMBFHPJDFM-CQSZACIVSA-N 1 0 386.323 2.610 20 0 GFADRO CC(C)S(=O)(=O)CC(=O)Nc1nc2ccc(C[N@H+](C)C3CC3)cc2s1 ZINC000617866670 565263986 /nfs/dbraw/zinc/26/39/86/565263986.db2.gz VMILZYXADOAXRB-UHFFFAOYSA-N 1 0 381.523 2.652 20 0 GFADRO CC(C)[C@@H]1CN(S(=O)(=O)c2cc(Cl)ccc2Br)CC[NH2+]1 ZINC000660183014 565264795 /nfs/dbraw/zinc/26/47/95/565264795.db2.gz ANEUHKZYSHOPFH-LBPRGKRZSA-N 1 0 381.723 2.721 20 0 GFADRO C[N@@H+](Cc1ccc(Br)cc1F)C[C@@H](O)COC[C@@H]1CCCO1 ZINC000639922496 565268469 /nfs/dbraw/zinc/26/84/69/565268469.db2.gz YDEICTJILRHSQX-CABCVRRESA-N 1 0 376.266 2.577 20 0 GFADRO CN1CC(=O)N(CC[NH2+][C@@H](CC2CC2)c2cc(F)cc(Br)c2)C1=O ZINC000660335911 565270689 /nfs/dbraw/zinc/27/06/89/565270689.db2.gz LMNYWXIAPUFTBA-HNNXBMFYSA-N 1 0 398.276 2.913 20 0 GFADRO COc1cc(NC(=O)N2CCC[C@H]2C[NH+]2CCCC2)ncc1Br ZINC000639966476 565270676 /nfs/dbraw/zinc/27/06/76/565270676.db2.gz HNDJAKJVWGPMGS-LBPRGKRZSA-N 1 0 383.290 2.945 20 0 GFADRO COc1ccc(NC(=O)N[C@H]2CCC[N@H+](C)C2)c(I)c1 ZINC000618004565 565271561 /nfs/dbraw/zinc/27/15/61/565271561.db2.gz PJUCHTDELPXEOX-JTQLQIEISA-N 1 0 389.237 2.516 20 0 GFADRO OCCC1(CCO)CC[NH+](C[C@@H](O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000640015305 565274457 /nfs/dbraw/zinc/27/44/57/565274457.db2.gz UVDAUFFCVWCPMI-CQSZACIVSA-N 1 0 392.323 2.580 20 0 GFADRO Cc1cc(C(=O)N(C)CC2C[NH+](C)C2)nn1-c1ccc(Br)cc1 ZINC000618192495 565279763 /nfs/dbraw/zinc/27/97/63/565279763.db2.gz OQTPISATFSSKBD-UHFFFAOYSA-N 1 0 377.286 2.577 20 0 GFADRO [NH3+]C[C@@H]1CCCn2ncc(C(=O)NCc3cc(F)cc(Br)c3)c21 ZINC000592505465 565280093 /nfs/dbraw/zinc/28/00/93/565280093.db2.gz TXDUUOGSYCASQY-NSHDSACASA-N 1 0 381.249 2.551 20 0 GFADRO CCOC(=O)[C@@H](Cc1cc(Cl)cc(Cl)c1)NC(=O)c1ccc(C[NH3+])o1 ZINC000592538704 565280982 /nfs/dbraw/zinc/28/09/82/565280982.db2.gz BVNMXJSKANHGLZ-CQSZACIVSA-N 1 0 385.247 2.949 20 0 GFADRO COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)[C@@H](C)Sc1cc(Cl)ccc1Cl ZINC000592550022 565281973 /nfs/dbraw/zinc/28/19/73/565281973.db2.gz CRDQZLIZMRHABQ-MFKMUULPSA-N 1 0 391.320 2.838 20 0 GFADRO O=C(Cc1ccc(I)cc1)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000592568994 565281994 /nfs/dbraw/zinc/28/19/94/565281994.db2.gz UOESFJUIDIQTLK-AWEZNQCLSA-N 1 0 384.261 2.625 20 0 GFADRO COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)c1cc(Br)cc2ccccc21 ZINC000592548862 565282048 /nfs/dbraw/zinc/28/20/48/565282048.db2.gz FYXXVTUHXMVNQJ-INIZCTEOSA-N 1 0 391.265 2.579 20 0 GFADRO Cc1nn(C)c(NC(=O)N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)c1Br ZINC000640168446 565284674 /nfs/dbraw/zinc/28/46/74/565284674.db2.gz XOILBDLQRJMCCX-LLVKDONJSA-N 1 0 384.322 2.829 20 0 GFADRO NC(=O)c1cc(NC(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)cs1 ZINC000640178166 565285787 /nfs/dbraw/zinc/28/57/87/565285787.db2.gz KKWONGULBCBFKU-LBPRGKRZSA-N 1 0 378.523 2.942 20 0 GFADRO CC[C@H](Cc1ccc(Br)cc1)NC(=O)N[C@H]1CC[N@H+](CCOC)C1 ZINC000660706772 565290280 /nfs/dbraw/zinc/29/02/80/565290280.db2.gz WMEIPMGZJMFOQR-SJORKVTESA-N 1 0 398.345 2.790 20 0 GFADRO OCCC1([NH2+]Cc2cc(Cl)ccc2I)CCOCC1 ZINC000593023666 565307828 /nfs/dbraw/zinc/30/78/28/565307828.db2.gz WMZSWTFKCPRTQK-UHFFFAOYSA-N 1 0 395.668 2.966 20 0 GFADRO CCN1CCCN(CCS(=O)(=O)c2ccc(Br)cc2)[C@H](C)C1 ZINC000660793584 565293790 /nfs/dbraw/zinc/29/37/90/565293790.db2.gz DTNKNOOEBXXTGC-CQSZACIVSA-N 1 0 389.359 2.639 20 0 GFADRO Cn1cc(Br)c(NC(=O)NCc2cccc(C[NH+]3CCCC3)c2)n1 ZINC000640309272 565298023 /nfs/dbraw/zinc/29/80/23/565298023.db2.gz XOIIFFFUDGLESS-UHFFFAOYSA-N 1 0 392.301 3.100 20 0 GFADRO CO[C@@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)N(C)CC1C[NH+](C)C1 ZINC000660987108 565301446 /nfs/dbraw/zinc/30/14/46/565301446.db2.gz PLSMNYKTDCJSHA-MLGOLLRUSA-N 1 0 384.318 2.728 20 0 GFADRO Cc1cccc(CN(CC[NH+](C)C)C(=O)Nc2nn(C)cc2Br)c1 ZINC000640326865 565302004 /nfs/dbraw/zinc/30/20/04/565302004.db2.gz NICDALQWTMHHHZ-UHFFFAOYSA-N 1 0 394.317 3.087 20 0 GFADRO OC[C@H]([NH2+]Cc1cc(Cl)ccc1I)[C@H]1CCCOC1 ZINC000593035123 565308790 /nfs/dbraw/zinc/30/87/90/565308790.db2.gz YHXBIWJZPOHVSH-HZMBPMFUSA-N 1 0 395.668 2.822 20 0 GFADRO COC(=O)[C@@H]1C[N@H+](Cc2nc3cc(Br)ccc3[nH]2)C[C@H]1C1CC1 ZINC000593128936 565315154 /nfs/dbraw/zinc/31/51/54/565315154.db2.gz FPDJPFYGQOLVAE-QWHCGFSZSA-N 1 0 378.270 2.956 20 0 GFADRO COC(=O)[C@@H]1C[N@@H+]([C@H](C)C(=O)Nc2cccc(Br)c2)C[C@H]1C1CC1 ZINC000593126487 565315506 /nfs/dbraw/zinc/31/55/06/565315506.db2.gz LTZCSNILHDEPLL-XFBWCDHKSA-N 1 0 395.297 2.907 20 0 GFADRO C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)n1cc(CN(C)CCC[NH3+])nn1 ZINC000640781379 565326556 /nfs/dbraw/zinc/32/65/56/565326556.db2.gz GBQHJXHOHLRGMX-LLVKDONJSA-N 1 0 385.299 2.565 20 0 GFADRO COCC[C@@H]([NH3+])Cc1cn([C@H](C)C(=O)Nc2cc(Cl)ccc2Cl)nn1 ZINC000640803003 565328591 /nfs/dbraw/zinc/32/85/91/565328591.db2.gz UZOKZYIHLZAHSN-ZYHUDNBSSA-N 1 0 386.283 2.691 20 0 GFADRO O=C(CC[NH+]1CCN(c2ccc(Br)cc2)CC1)Nc1cccnc1 ZINC000661576670 565328695 /nfs/dbraw/zinc/32/86/95/565328695.db2.gz NEPJFPNLJDEXHF-UHFFFAOYSA-N 1 0 389.297 2.995 20 0 GFADRO C[C@@H]1CN(CC[NH+]2CCN(c3ccc(Br)cc3)CC2)C[C@@H](C)O1 ZINC000661576908 565328863 /nfs/dbraw/zinc/32/88/63/565328863.db2.gz REWIEOCTAOJYTR-HZPDHXFCSA-N 1 0 382.346 2.680 20 0 GFADRO C[C@H](NC(=O)Cn1cc([C@@H]2CCC[NH2+]C2)nn1)c1ccc(Cl)cc1Cl ZINC000640838037 565330317 /nfs/dbraw/zinc/33/03/17/565330317.db2.gz ANEQDVRHVPYYOF-NWDGAFQWSA-N 1 0 382.295 2.929 20 0 GFADRO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[N@@H+]1CC[C@H]2NC(=O)CC[C@@H]2C1 ZINC000661606229 565330587 /nfs/dbraw/zinc/33/05/87/565330587.db2.gz UVZMWVYFYFPPBM-CZUORRHYSA-N 1 0 384.307 2.552 20 0 GFADRO C[C@H](C(=O)Nc1cccc(Br)c1)n1cc(C2CC[NH2+]CC2)nn1 ZINC000640879399 565333702 /nfs/dbraw/zinc/33/37/02/565333702.db2.gz FTNZVXIHPKSALV-LLVKDONJSA-N 1 0 378.274 2.707 20 0 GFADRO C[C@@H](C(=O)Nc1cccc(Br)c1)n1cc(C[C@H]2CCC[NH2+]C2)nn1 ZINC000640880442 565334092 /nfs/dbraw/zinc/33/40/92/565334092.db2.gz KFJZSUOVFJFDJQ-QWHCGFSZSA-N 1 0 392.301 2.782 20 0 GFADRO C[C@H](C(=O)Nc1cccc(Br)c1)n1cc([C@@H]2CCC[NH2+]C2)nn1 ZINC000640881144 565334255 /nfs/dbraw/zinc/33/42/55/565334255.db2.gz OKBDEPGLKSCQBX-VXGBXAGGSA-N 1 0 378.274 2.707 20 0 GFADRO Cn1cc(C[C@@H]2CCC[C@H]2[NH2+][C@H](C(N)=O)c2ccc(Br)cc2)cn1 ZINC000661775910 565337693 /nfs/dbraw/zinc/33/76/93/565337693.db2.gz DKYXZCCFXCSIEK-UAGQMJEPSA-N 1 0 391.313 2.710 20 0 GFADRO O=C(CN1CCc2sccc2[C@@H]1c1ccc(Cl)cc1)N1CCNC1=O ZINC000661792731 565338157 /nfs/dbraw/zinc/33/81/57/565338157.db2.gz VBEZNRSKXUHNDS-KRWDZBQOSA-N 1 0 375.881 2.901 20 0 GFADRO FC(F)Oc1ccc(Br)cc1Cn1cc(C[C@@H]2CC[NH2+]C2)nn1 ZINC000641010297 565341371 /nfs/dbraw/zinc/34/13/71/565341371.db2.gz SEQPDAFFZJJBSY-JTQLQIEISA-N 1 0 387.228 2.842 20 0 GFADRO CO[C@@H]1CS(=O)(=O)[C@H]2C[N@H+](CCCSc3ccccc3Cl)C[C@H]21 ZINC000661882658 565341458 /nfs/dbraw/zinc/34/14/58/565341458.db2.gz WJOUJGCRUOYBOM-BJJXKVORSA-N 1 0 375.943 2.566 20 0 GFADRO CS[C@@H]1CN(S(=O)(=O)c2ccc(Cl)c(F)c2)C[C@@H]1[NH+]1CCCC1 ZINC000593584402 565343420 /nfs/dbraw/zinc/34/34/20/565343420.db2.gz NHNVWRMQYZYYED-LSDHHAIUSA-N 1 0 378.922 2.679 20 0 GFADRO Brc1ccc(/C=C/CCn2cc(CCN3CC[NH2+]CC3)nn2)cc1 ZINC000641057763 565343623 /nfs/dbraw/zinc/34/36/23/565343623.db2.gz GLLGGLDKBIFNPG-HNQUOIGGSA-N 1 0 390.329 2.592 20 0 GFADRO CC(C)[C@@H]([NH3+])c1cn([C@H]2CCN(c3cccc(Br)c3)C2=O)nn1 ZINC000641104943 565345656 /nfs/dbraw/zinc/34/56/56/565345656.db2.gz NDPWCHHEQWXJEF-LSDHHAIUSA-N 1 0 378.274 2.674 20 0 GFADRO O=C(CN1CC[C@H]1c1ccc(Br)cc1)NC1CC[NH+](C2CC2)CC1 ZINC000662097890 565350359 /nfs/dbraw/zinc/35/03/59/565350359.db2.gz ZOBVJRFKQVMQLF-SFHVURJKSA-N 1 0 392.341 2.939 20 0 GFADRO C[NH2+]C(C)(C)c1cn([C@H]2CCc3cc(Br)ccc3NC2=O)nn1 ZINC000641164832 565350566 /nfs/dbraw/zinc/35/05/66/565350566.db2.gz RNPOXVUEKALGLP-ZDUSSCGKSA-N 1 0 378.274 2.621 20 0 GFADRO Brc1ccc2[nH]c(Cn3cc(C[NH2+]C4CCCC4)nn3)nc2c1 ZINC000641162721 565350968 /nfs/dbraw/zinc/35/09/68/565350968.db2.gz RMVMMMHMONLDCC-UHFFFAOYSA-N 1 0 375.274 2.997 20 0 GFADRO O=C(Nc1cc(Cl)cc(Cl)c1)[C@H]1CCCN1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662251914 565358262 /nfs/dbraw/zinc/35/82/62/565358262.db2.gz INPAFRGQOXCYIP-JKSUJKDBSA-N 1 0 384.307 2.917 20 0 GFADRO O=C(c1cc(Br)cc2c1OCCO2)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000662337382 565361879 /nfs/dbraw/zinc/36/18/79/565361879.db2.gz ACVUDAXACLYILA-IUODEOHRSA-N 1 0 395.297 2.825 20 0 GFADRO CCC[N@@H+]1CC[C@H](NC(=O)CNC(=O)c2sc3ccccc3c2Cl)C1 ZINC000619894322 565362309 /nfs/dbraw/zinc/36/23/09/565362309.db2.gz WQVNQROYEJJAET-LBPRGKRZSA-N 1 0 379.913 2.885 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)C[N@@H+]1CC2CC1(C)C2 ZINC000662383228 565364820 /nfs/dbraw/zinc/36/48/20/565364820.db2.gz WFVQTONWYACIHI-UHFFFAOYSA-N 1 0 394.313 2.639 20 0 GFADRO CN(CC[NH+]1CCCCC1)C(=O)c1c(F)cccc1I ZINC000593882429 565366212 /nfs/dbraw/zinc/36/62/12/565366212.db2.gz GTJONQLOHGMLTE-UHFFFAOYSA-N 1 0 390.240 2.988 20 0 GFADRO CCCS(=O)(=O)Nc1ccc(NC(=O)c2cc3c(s2)CC[NH2+]C3)cc1 ZINC000662411465 565366527 /nfs/dbraw/zinc/36/65/27/565366527.db2.gz VFNORBKBEHMPSQ-UHFFFAOYSA-N 1 0 379.507 2.798 20 0 GFADRO COCC[N@@H+]1CC[C@H](NC(=O)COc2cc(Cl)c(Cl)cc2Cl)C1 ZINC000593912912 565367567 /nfs/dbraw/zinc/36/75/67/565367567.db2.gz BWUUDCPQNHFORP-JTQLQIEISA-N 1 0 381.687 2.863 20 0 GFADRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)c2sc3c(c2Br)CNC3)C1 ZINC000662419872 565367647 /nfs/dbraw/zinc/36/76/47/565367647.db2.gz ADANPYRZDWHPGB-NSHDSACASA-N 1 0 386.359 2.964 20 0 GFADRO COCC[N@@H+]1CC[C@@H](NC(=O)CCSc2ccccc2Br)C1 ZINC000593910860 565367815 /nfs/dbraw/zinc/36/78/15/565367815.db2.gz DETULQUEONFVND-CYBMUJFWSA-N 1 0 387.343 2.768 20 0 GFADRO COc1ccc(CCC(=O)N2CCC(OCCC[NH3+])CC2)c(Br)c1 ZINC000662428092 565367855 /nfs/dbraw/zinc/36/78/55/565367855.db2.gz GZDOUGGDCAOKOK-UHFFFAOYSA-N 1 0 399.329 2.747 20 0 GFADRO O=C(N[C@H]1CCc2c1cccc2Br)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC000662441534 565369001 /nfs/dbraw/zinc/36/90/01/565369001.db2.gz JXWWOHMMTKJLSJ-BMIGLBTASA-N 1 0 375.270 2.666 20 0 GFADRO O=C(c1cc2c(s1)CC[NH2+]C2)N1CCC(n2cc(Br)cn2)CC1 ZINC000662452032 565369189 /nfs/dbraw/zinc/36/91/89/565369189.db2.gz GWULFHULTMQZQR-UHFFFAOYSA-N 1 0 395.326 2.830 20 0 GFADRO O=C(NCCCc1ccc(Cl)cc1Cl)c1cnnn1C1CC[NH2+]CC1 ZINC000662487924 565371109 /nfs/dbraw/zinc/37/11/09/565371109.db2.gz OCSUZKNCKBVTPE-UHFFFAOYSA-N 1 0 382.295 2.872 20 0 GFADRO O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000594037198 565373034 /nfs/dbraw/zinc/37/30/34/565373034.db2.gz MKTUNWQWQRFIPL-CYBMUJFWSA-N 1 0 378.416 2.834 20 0 GFADRO O=C(c1cc(Br)cc(N2CCCC2)c1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000662520136 565373806 /nfs/dbraw/zinc/37/38/06/565373806.db2.gz DRNNAOJHKQJDBH-SUMWQHHRSA-N 1 0 378.314 2.873 20 0 GFADRO Cc1c(F)c(Br)ccc1C(=O)N1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000662572566 565376848 /nfs/dbraw/zinc/37/68/48/565376848.db2.gz YXWCZCVCGYTQSA-LBPRGKRZSA-N 1 0 385.277 2.724 20 0 GFADRO CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)[C@H](N)c2ccccc2Br)CC1 ZINC000662579093 565378080 /nfs/dbraw/zinc/37/80/80/565378080.db2.gz ZDADSODZVPTARI-HZPDHXFCSA-N 1 0 380.330 2.686 20 0 GFADRO N[C@@H](C(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1)c1ccccc1Br ZINC000662577542 565378239 /nfs/dbraw/zinc/37/82/39/565378239.db2.gz JXHPHLNBBOGFCZ-IAOVAPTHSA-N 1 0 392.272 2.541 20 0 GFADRO [NH3+]CC1(CCNC(=O)Cc2ccc(Br)c(Br)c2)CC1 ZINC000662581779 565378589 /nfs/dbraw/zinc/37/85/89/565378589.db2.gz JDBYLTTXNRKLMX-UHFFFAOYSA-N 1 0 390.119 2.999 20 0 GFADRO O=C(c1cn([C@H]2CCC[NH2+]CC2)nn1)N1CCc2ccc(Br)cc21 ZINC000662600238 565379571 /nfs/dbraw/zinc/37/95/71/565379571.db2.gz FAQODYREYFQTFE-AWEZNQCLSA-N 1 0 390.285 2.558 20 0 GFADRO [NH3+]C1(CNC(=O)[C@@H]2CCCN2C(=O)c2ccc(Cl)c(Cl)c2)CCCC1 ZINC000662653150 565380332 /nfs/dbraw/zinc/38/03/32/565380332.db2.gz VLXCGJXNELTEQH-HNNXBMFYSA-N 1 0 384.307 2.986 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)NCC1([NH3+])CCCC1 ZINC000662650754 565380340 /nfs/dbraw/zinc/38/03/40/565380340.db2.gz HBKTVRLPPYHRKX-AWEZNQCLSA-N 1 0 384.567 2.739 20 0 GFADRO CO[C@H](C(=O)N1C[C@H](SC)[C@@H]([NH+](C)C)C1)c1ccccc1Br ZINC000594333108 565381799 /nfs/dbraw/zinc/38/17/99/565381799.db2.gz TUXNDYWMNYAHSO-KKUMJFAQSA-N 1 0 387.343 2.641 20 0 GFADRO CCC(C)(C)[NH+]1CCN(C(=O)c2cncc(I)c2)CC1 ZINC000594390488 565382713 /nfs/dbraw/zinc/38/27/13/565382713.db2.gz XDMNHGDBGQFDIF-UHFFFAOYSA-N 1 0 387.265 2.633 20 0 GFADRO CC(C)(C)n1cc(Br)c(C(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)n1 ZINC000662786261 565384367 /nfs/dbraw/zinc/38/43/67/565384367.db2.gz VVNIQAUOWUAJCA-CHWSQXEVSA-N 1 0 383.334 2.862 20 0 GFADRO COC(=O)C[C@H](NC(=O)[C@@H]1C[C@]12CCC[NH2+]C2)c1ccc(Br)cc1 ZINC000594429982 565384540 /nfs/dbraw/zinc/38/45/40/565384540.db2.gz XEVOGLACLDPVLC-MPGHIAIKSA-N 1 0 395.297 2.559 20 0 GFADRO CC(C)(C)n1cc(Br)c(C(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)n1 ZINC000662781109 565385040 /nfs/dbraw/zinc/38/50/40/565385040.db2.gz UVLJNWZMNOZRNA-CYBMUJFWSA-N 1 0 383.334 2.862 20 0 GFADRO O=C(c1cc2cc(Br)sc2[nH]1)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000620484056 565386006 /nfs/dbraw/zinc/38/60/06/565386006.db2.gz IECCXHJGCBWOGW-GFCCVEGCSA-N 1 0 398.326 2.663 20 0 GFADRO OCCCN1CCC[C@H](Nc2ncnc(C(F)(F)F)c2Br)C1 ZINC000641615306 565386994 /nfs/dbraw/zinc/38/69/94/565386994.db2.gz LNQJJBWVUOHLQP-VIFPVBQESA-N 1 0 383.212 2.517 20 0 GFADRO Cc1c(C[NH3+])c(NC(=O)[C@H](C)Cc2ccc(F)c(Br)c2)nn1C ZINC000662836173 565387185 /nfs/dbraw/zinc/38/71/85/565387185.db2.gz WCUFMKUUNMVTNX-SECBINFHSA-N 1 0 383.265 2.906 20 0 GFADRO Cc1c(Br)cccc1CNC(=O)c1cn([C@@H]2CCC[NH2+]CC2)nn1 ZINC000662831050 565387635 /nfs/dbraw/zinc/38/76/35/565387635.db2.gz AXKVGRCLTLJGSX-CQSZACIVSA-N 1 0 392.301 2.594 20 0 GFADRO Cc1c(Cl)cccc1-n1ccnc1SCC(=O)N1CC2CC1(C[NH3+])C2 ZINC000662876221 565387978 /nfs/dbraw/zinc/38/79/78/565387978.db2.gz RTSXSJSYIASRPE-UHFFFAOYSA-N 1 0 376.913 2.876 20 0 GFADRO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)c2cc(Br)c[nH]2)cc1 ZINC000662867161 565388272 /nfs/dbraw/zinc/38/82/72/565388272.db2.gz QFPGFICXISDSGU-HOCLYGCPSA-N 1 0 378.270 2.661 20 0 GFADRO CC(C)([NH3+])c1cc(C(=O)N2CCOC[C@@H]2c2ccc(Br)cc2)on1 ZINC000662872991 565388671 /nfs/dbraw/zinc/38/86/71/565388671.db2.gz SBNAJXTWIMPRTL-CYBMUJFWSA-N 1 0 394.269 2.845 20 0 GFADRO CC(=O)N[C@@H](CC(=O)N1CC[C@@H](C)C[C@H]1C[NH3+])c1ccc(Br)cc1 ZINC000662892589 565389910 /nfs/dbraw/zinc/38/99/10/565389910.db2.gz KTOJRNCHUOWIBH-DQYPLSBCSA-N 1 0 396.329 2.602 20 0 GFADRO Cc1cc(Br)ccc1[C@@H](C)[NH2+][C@@H]1CCN(CCN2CCOCC2)C1 ZINC000641774922 565398788 /nfs/dbraw/zinc/39/87/88/565398788.db2.gz VKFOKEISZDJRAL-SJLPKXTDSA-N 1 0 396.373 2.815 20 0 GFADRO [NH3+]C[C@H](NCc1c(F)ccc(I)c1F)C(F)(F)F ZINC000594581122 565400266 /nfs/dbraw/zinc/40/02/66/565400266.db2.gz ROTQCBRRUZJMQO-QMMMGPOBSA-N 1 0 380.098 2.549 20 0 GFADRO COc1cc(C(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)sc1Br ZINC000620972265 565403390 /nfs/dbraw/zinc/40/33/90/565403390.db2.gz ZTPZWAXKSORKGK-NSHDSACASA-N 1 0 391.331 2.702 20 0 GFADRO O=C(NC[C@H]1CCC[N@H+](CC2CC2)C1)C(=O)c1ccc(Br)cc1 ZINC000621104746 565405892 /nfs/dbraw/zinc/40/58/92/565405892.db2.gz DGJVZOVDBNARNZ-CQSZACIVSA-N 1 0 379.298 2.870 20 0 GFADRO COCC[N@@H+]1CCC[C@@H](Nc2nc(C(F)(F)F)c(Br)s2)C1 ZINC000642119437 565406772 /nfs/dbraw/zinc/40/67/72/565406772.db2.gz NILXWCVJJDYMQK-MRVPVSSYSA-N 1 0 388.253 3.447 20 0 GFADRO O=C(C[C@@H]1Sc2ccc(Cl)cc2NC1=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000594701642 565409651 /nfs/dbraw/zinc/40/96/51/565409651.db2.gz SCCBGNYPCJIEBD-CJNGLKHVSA-N 1 0 379.913 2.743 20 0 GFADRO COc1cc(CN2CCC[C@@H]2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c(Br)cn1 ZINC000621250613 565412257 /nfs/dbraw/zinc/41/22/57/565412257.db2.gz IPJQVVSUJVENOW-IJEWVQPXSA-N 1 0 398.345 2.926 20 0 GFADRO Cc1ccc(NC(=O)NCC(C)(C)N2CC[NH+](C)CC2)c(Br)c1 ZINC000642404136 565412297 /nfs/dbraw/zinc/41/22/97/565412297.db2.gz ZNKCOSHSAVIXEK-UHFFFAOYSA-N 1 0 383.334 2.905 20 0 GFADRO C[C@H](CNS(=O)(=O)c1cccc(Br)c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000642515840 565413678 /nfs/dbraw/zinc/41/36/78/565413678.db2.gz PIRCRZOSWMSSFB-CHWSQXEVSA-N 1 0 375.332 2.848 20 0 GFADRO C[C@@H](CNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000642515725 565413845 /nfs/dbraw/zinc/41/38/45/565413845.db2.gz ASQWWLQWWCWGAQ-OLZOCXBDSA-N 1 0 380.432 2.984 20 0 GFADRO C[C@H](CNS(=O)(=O)c1ccccc1Br)[N@@H+]1CCC[C@@H](C)C1 ZINC000642515720 565414071 /nfs/dbraw/zinc/41/40/71/565414071.db2.gz APNWDOYRGWXXGS-CHWSQXEVSA-N 1 0 375.332 2.848 20 0 GFADRO C[C@@H]1C[N@H+](C(C)(C)CNc2nnc3ccc(Br)cn32)C[C@H](C)O1 ZINC000663366072 565414879 /nfs/dbraw/zinc/41/48/79/565414879.db2.gz GOSYZFILWGQFFN-TXEJJXNPSA-N 1 0 382.306 2.792 20 0 GFADRO O=C(CC[NH2+]C1CCN([C@H]2CCOC2)CC1)Nc1cccc(Br)c1 ZINC000663363334 565415324 /nfs/dbraw/zinc/41/53/24/565415324.db2.gz JPDXWSPEBCLJSR-KRWDZBQOSA-N 1 0 396.329 2.621 20 0 GFADRO CC(=O)NCC1CC[NH+](C[C@H](O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000642626513 565416190 /nfs/dbraw/zinc/41/61/90/565416190.db2.gz CRJDFUUSIJMNNB-AWEZNQCLSA-N 1 0 375.296 2.581 20 0 GFADRO NC(=O)CC1(C[NH2+]C[C@@H](O)COc2cccc(Br)c2)CCCCC1 ZINC000663378541 565416246 /nfs/dbraw/zinc/41/62/46/565416246.db2.gz PVUDHBDSTFDZRL-OAHLLOKOSA-N 1 0 399.329 2.604 20 0 GFADRO COc1cc(C[NH2+][C@@H]2CCC[C@H]3CN(C(C)=O)C[C@H]32)c(Br)cn1 ZINC000621296157 565417224 /nfs/dbraw/zinc/41/72/24/565417224.db2.gz JDWHQRHOCIMJBE-JGGQBBKZSA-N 1 0 382.302 2.589 20 0 GFADRO COc1cc(CN2CCC[C@@H](CC(C)(C)C(N)=O)C2)c(Br)cn1 ZINC000621299226 565417283 /nfs/dbraw/zinc/41/72/83/565417283.db2.gz ZGHZVDHMOXJWNA-LBPRGKRZSA-N 1 0 384.318 2.966 20 0 GFADRO C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+]1CC[C@@H](C)[C@@H](CO)C1 ZINC000621364824 565423396 /nfs/dbraw/zinc/42/33/96/565423396.db2.gz LZHFLFDWWBAJKD-IJEWVQPXSA-N 1 0 383.330 2.746 20 0 GFADRO COc1cc(CCC[NH2+]Cc2ccc(S(C)(=O)=O)s2)cc(OC)c1O ZINC000621391826 565423636 /nfs/dbraw/zinc/42/36/36/565423636.db2.gz VPKKSKFPMVLJJO-UHFFFAOYSA-N 1 0 385.507 2.597 20 0 GFADRO O=C(N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1cc(Br)c[nH]c1=O ZINC000621554671 565429691 /nfs/dbraw/zinc/42/96/91/565429691.db2.gz VGMRTUBSVAPFKK-OAHLLOKOSA-N 1 0 390.281 2.944 20 0 GFADRO C[N@H+](CCc1cccc(Br)c1)CC(=O)N1CCOC[C@@H]1C1CC1 ZINC000643418911 565432804 /nfs/dbraw/zinc/43/28/04/565432804.db2.gz DHUUUOMEHFEPCO-QGZVFWFLSA-N 1 0 381.314 2.561 20 0 GFADRO C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000643486302 565433992 /nfs/dbraw/zinc/43/39/92/565433992.db2.gz MZWNLRZTVDBJGM-XHBSWPGZSA-N 1 0 384.307 2.723 20 0 GFADRO C[C@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000643488476 565434084 /nfs/dbraw/zinc/43/40/84/565434084.db2.gz ODJAENQFUPBNHF-WQGACYEGSA-N 1 0 384.307 2.723 20 0 GFADRO O=S1(=O)CC[C@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)c2cc(Br)ccc21 ZINC000643500597 565434094 /nfs/dbraw/zinc/43/40/94/565434094.db2.gz IJXKNMNYVIAYCJ-YOOVYSLHSA-N 1 0 385.327 2.540 20 0 GFADRO CC(C)N(Cc1cccc(Br)c1)C(=O)C(=O)N1CCC(C)([NH3+])CC1 ZINC000643487608 565434383 /nfs/dbraw/zinc/43/43/83/565434383.db2.gz PQGDIYCOSSUAHC-UHFFFAOYSA-N 1 0 396.329 2.526 20 0 GFADRO CC[C@H](N[C@@H]1CC[NH2+]C2(CCC2)C1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000643547471 565435679 /nfs/dbraw/zinc/43/56/79/565435679.db2.gz FVXVKCLJCYNOKM-ZBFHGGJFSA-N 1 0 385.961 2.964 20 0 GFADRO [NH3+][C@]12CCC[C@H]1CN(C(=O)c1cnn(-c3ccc(Br)cc3)c1)C2 ZINC000621695511 565437054 /nfs/dbraw/zinc/43/70/54/565437054.db2.gz WDXPCDDOYUFZEF-GUYCJALGSA-N 1 0 375.270 2.588 20 0 GFADRO CS(=O)(=O)CC1(CC[NH2+]Cc2cccc(I)c2)CC1 ZINC000594953359 565437375 /nfs/dbraw/zinc/43/73/75/565437375.db2.gz SCJKECUSEUYJDM-UHFFFAOYSA-N 1 0 393.290 2.596 20 0 GFADRO Cc1c(C(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)cnn1-c1ccc(Br)cc1 ZINC000621696579 565438125 /nfs/dbraw/zinc/43/81/25/565438125.db2.gz PRQIIWBLILQRRB-ACJLOTCBSA-N 1 0 389.297 2.897 20 0 GFADRO C[NH+](C)CCC[C@H]1CN(C(=O)NCc2ccccc2Br)CCO1 ZINC000663857263 565439440 /nfs/dbraw/zinc/43/94/40/565439440.db2.gz FUBCNIYQVPMTPN-HNNXBMFYSA-N 1 0 384.318 2.701 20 0 GFADRO COc1c[nH+]ccc1N1CCN(c2nc(C)nc(C)c2Br)CC1 ZINC000663865853 565441045 /nfs/dbraw/zinc/44/10/45/565441045.db2.gz IDHORHCHRXCQQV-UHFFFAOYSA-N 1 0 378.274 2.586 20 0 GFADRO C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000621780454 565441417 /nfs/dbraw/zinc/44/14/17/565441417.db2.gz RPGJXUINXWPENZ-QIIPPGSGSA-N 1 0 380.330 2.609 20 0 GFADRO COCC[C@](C)(O)C[NH2+][C@@H]1CCc2ccc(I)cc21 ZINC000595009360 565441827 /nfs/dbraw/zinc/44/18/27/565441827.db2.gz RKEPJEUSQXSKHQ-CABCVRRESA-N 1 0 375.250 2.656 20 0 GFADRO COc1cc(CNC(=O)NCC[C@@H](C)[NH+](C)C)cc(Br)c1OC ZINC000663885571 565441888 /nfs/dbraw/zinc/44/18/88/565441888.db2.gz FWPIBGXVCVTODJ-LLVKDONJSA-N 1 0 388.306 2.606 20 0 GFADRO O=C(c1cc2c(cc1Br)OCO2)N1CC[NH2+]C2(CCCCC2)C1 ZINC000621824936 565443415 /nfs/dbraw/zinc/44/34/15/565443415.db2.gz FOMANKBOLLWGAZ-UHFFFAOYSA-N 1 0 381.270 2.926 20 0 GFADRO CCNC(=O)N1CC[C@@H]([NH2+][C@@H]2CCc3ccc(I)cc32)C1 ZINC000595021988 565443641 /nfs/dbraw/zinc/44/36/41/565443641.db2.gz IQHJDGGCNAKVNQ-UKRRQHHQSA-N 1 0 399.276 2.672 20 0 GFADRO O=C(NC[C@@H]1CCC[NH2+]C1)NCC(F)(F)c1ccc(Br)cc1 ZINC000621847352 565444119 /nfs/dbraw/zinc/44/41/19/565444119.db2.gz ZSURLASOOFMISH-LLVKDONJSA-N 1 0 376.245 2.840 20 0 GFADRO COC(=O)CC(C)(C)C[C@H](C)[NH2+]CCNS(=O)(=O)c1ccc(Cl)s1 ZINC000595036978 565444354 /nfs/dbraw/zinc/44/43/54/565444354.db2.gz YUSKGOFKKISHHW-NSHDSACASA-N 1 0 396.962 2.637 20 0 GFADRO C[NH2+][C@H]1CCCN(C(=O)NCC(F)(F)c2ccc(Br)cc2)C1 ZINC000621850731 565444425 /nfs/dbraw/zinc/44/44/25/565444425.db2.gz BQRYPHOSAWFCRO-ZDUSSCGKSA-N 1 0 376.245 2.934 20 0 GFADRO CO[C@@H]1COCC[C@H]1C[NH2+][C@@H]1CCc2ccc(I)cc21 ZINC000595042625 565444767 /nfs/dbraw/zinc/44/47/67/565444767.db2.gz UAJYQSQQDLQYJE-APHBMKBZSA-N 1 0 387.261 2.920 20 0 GFADRO COC[C@@](C)(O)CC[NH2+][C@H]1CCc2ccc(I)cc21 ZINC000595039771 565444886 /nfs/dbraw/zinc/44/48/86/565444886.db2.gz CIOYPFLSEJJUQF-GJZGRUSLSA-N 1 0 375.250 2.656 20 0 GFADRO COC[C@@H](CC[NH2+][C@@H]1CCc2ccc(I)cc21)OC ZINC000595059000 565446247 /nfs/dbraw/zinc/44/62/47/565446247.db2.gz FBFNQPROLQQXKW-UKRRQHHQSA-N 1 0 375.250 2.920 20 0 GFADRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)c1cc2c(cc1Br)OCO2 ZINC000621945536 565451208 /nfs/dbraw/zinc/45/12/08/565451208.db2.gz RLRPVLZOTNYKMJ-LLVKDONJSA-N 1 0 383.286 2.980 20 0 GFADRO [NH3+][C@@]12CCC[C@H]1CN(Cc1ncc(Br)cc1Br)C2 ZINC000622003899 565454584 /nfs/dbraw/zinc/45/45/84/565454584.db2.gz HFBIHQXDZDOHLD-TVQRCGJNSA-N 1 0 375.108 2.920 20 0 GFADRO [NH3+][C@@]12CCC[C@H]1CN(S(=O)(=O)c1cc(Cl)cc(Br)c1)C2 ZINC000622014558 565455260 /nfs/dbraw/zinc/45/52/60/565455260.db2.gz HLUUBOSETVCLKN-TVQRCGJNSA-N 1 0 379.707 2.604 20 0 GFADRO [NH3+][C@@]12CCC[C@H]1CN(S(=O)(=O)c1ccc(Cl)cc1Br)C2 ZINC000622015066 565455472 /nfs/dbraw/zinc/45/54/72/565455472.db2.gz PSZAXSCAWKFLAY-TVQRCGJNSA-N 1 0 379.707 2.604 20 0 GFADRO CC[C@@H](Cc1ccccc1Br)C(=O)NC[C@@]1(COC)CCC[NH2+]1 ZINC000644126183 565460665 /nfs/dbraw/zinc/46/06/65/565460665.db2.gz HPNYFWDWAAAWKO-KBXCAEBGSA-N 1 0 383.330 2.903 20 0 GFADRO CS(=O)(=O)N(CC[C@@H]1CC[NH2+]C1)c1ccc(Br)cc1Cl ZINC000644167305 565461019 /nfs/dbraw/zinc/46/10/19/565461019.db2.gz KDWZMJPKVKIBLE-JTQLQIEISA-N 1 0 381.723 2.868 20 0 GFADRO O=C(N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1)[C@@H]1C[NH2+]CCC1(F)F ZINC000644151565 565461062 /nfs/dbraw/zinc/46/10/62/565461062.db2.gz WYSDGEADPDXYLJ-NEPJUHHUSA-N 1 0 378.250 2.933 20 0 GFADRO O=C(NC[C@H]1CCC[N@H+](CC2CC2)C1)c1nc(C2CC2)ncc1Br ZINC000664490833 565464863 /nfs/dbraw/zinc/46/48/63/565464863.db2.gz VRLZCWJOHYTLGS-CYBMUJFWSA-N 1 0 393.329 2.968 20 0 GFADRO C[C@H](Oc1ccc(Br)cc1)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000622407688 565470462 /nfs/dbraw/zinc/47/04/62/565470462.db2.gz IBGWYOLTGNLYIO-LBPRGKRZSA-N 1 0 381.274 2.613 20 0 GFADRO C[N@@H+]1C[C@H]2CCN(S(=O)(=O)c3csc(-c4ccc(Cl)cc4)n3)[C@H]2C1 ZINC000644299398 565471129 /nfs/dbraw/zinc/47/11/29/565471129.db2.gz JWYLZMJXUVQCTA-OCCSQVGLSA-N 1 0 383.926 2.788 20 0 GFADRO C[NH+](C)CCC[C@H]1CN(c2ncnc3ccc(Br)cc32)CCO1 ZINC000664653961 565471657 /nfs/dbraw/zinc/47/16/57/565471657.db2.gz QDRWDQAPBPDUPB-AWEZNQCLSA-N 1 0 379.302 2.939 20 0 GFADRO CCC[N@H+](C)CC(C)(C)NS(=O)(=O)c1ccc(Cl)cc1C(=O)OC ZINC000595382100 565471712 /nfs/dbraw/zinc/47/17/12/565471712.db2.gz OZNNRJUZJAVZQL-UHFFFAOYSA-N 1 0 376.906 2.525 20 0 GFADRO Cc1nn(C)c(OCC(F)(F)F)c1C[NH2+][C@H]1CC[C@@](O)(C(F)(F)F)C1 ZINC000644425193 565477085 /nfs/dbraw/zinc/47/70/85/565477085.db2.gz ZGXOXQBNUHXKRT-CABZTGNLSA-N 1 0 375.313 2.605 20 0 GFADRO CC[C@@H](Cc1ccc(Br)cc1)NC(=O)NCCOCC[NH+](C)C ZINC000664731440 565477232 /nfs/dbraw/zinc/47/72/32/565477232.db2.gz HTGSMJZLQFWMTO-INIZCTEOSA-N 1 0 386.334 2.648 20 0 GFADRO O[C@@]1(C(F)(F)F)CC[C@H]([NH2+]Cc2cn(-c3ccc(F)c(Cl)c3)nn2)C1 ZINC000644428528 565477309 /nfs/dbraw/zinc/47/73/09/565477309.db2.gz XBXBMLQABALSBP-XPTSAGLGSA-N 1 0 378.757 2.995 20 0 GFADRO Cc1ccn2cc(C[NH2+]C[C@H](O)COc3ccc(Br)cc3)nc2c1 ZINC000644526878 565480455 /nfs/dbraw/zinc/48/04/55/565480455.db2.gz GURCOONWTIMKMR-INIZCTEOSA-N 1 0 390.281 2.935 20 0 GFADRO CN1CCC[C@H]([NH2+]C[C@@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000644548110 565481944 /nfs/dbraw/zinc/48/19/44/565481944.db2.gz PBOCOLFXTBAPPS-QWHCGFSZSA-N 1 0 377.710 2.526 20 0 GFADRO CC(C)(C)N1C[C@H]([NH2+]C[C@@H](O)COc2cc(Cl)ccc2Cl)CC1=O ZINC000644581913 565482586 /nfs/dbraw/zinc/48/25/86/565482586.db2.gz XPDZBQNWFWYFAW-CHWSQXEVSA-N 1 0 375.296 2.722 20 0 GFADRO Cn1nc(C[NH2+]C[C@H](O)COc2cccc(Br)c2)c2ccccc21 ZINC000644622982 565485325 /nfs/dbraw/zinc/48/53/25/565485325.db2.gz UDEZXOHZDRTNOB-AWEZNQCLSA-N 1 0 390.281 2.865 20 0 GFADRO CCNC(=O)C1(C[NH2+]C[C@@H](O)COc2ccc(Cl)c(Cl)c2)CCC1 ZINC000644632153 565486634 /nfs/dbraw/zinc/48/66/34/565486634.db2.gz XVLDAPLICDSBPV-GFCCVEGCSA-N 1 0 375.296 2.629 20 0 GFADRO Cc1sc(C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)cc1Br ZINC000644639905 565486682 /nfs/dbraw/zinc/48/66/82/565486682.db2.gz DBGKXHHERSVXQP-CYBMUJFWSA-N 1 0 386.359 2.671 20 0 GFADRO CC(=O)N1CCC[C@H](C[NH2+]C[C@@H](O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000644636388 565486759 /nfs/dbraw/zinc/48/67/59/565486759.db2.gz GPWBRZCESGZECH-ZIAGYGMSSA-N 1 0 375.296 2.581 20 0 GFADRO CC(C)[C@H](C[NH2+]C[C@@H](O)COc1ccc(Br)cc1)c1ccnn1C ZINC000644630353 565486812 /nfs/dbraw/zinc/48/68/12/565486812.db2.gz UZCOKUWBNMXJQM-WBVHZDCISA-N 1 0 396.329 2.952 20 0 GFADRO CC(C)(O)C(C)(C)C[NH2+]C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000644664231 565489095 /nfs/dbraw/zinc/48/90/95/565489095.db2.gz QEUNBPVNCDDVAC-ZDUSSCGKSA-N 1 0 378.282 2.715 20 0 GFADRO Cc1oc(Br)cc1C(=O)N[C@H]1CC[C@@H]([NH+]2CCN(C)CC2)CC1 ZINC000644704225 565490037 /nfs/dbraw/zinc/49/00/37/565490037.db2.gz FVZWQYXHWKQEHC-OKILXGFUSA-N 1 0 384.318 2.639 20 0 GFADRO COC(=O)[C@H](c1cccc(Cl)c1Cl)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000595864650 565494691 /nfs/dbraw/zinc/49/46/91/565494691.db2.gz VCKCPLPHYZFYFA-GUYCJALGSA-N 1 0 387.307 2.739 20 0 GFADRO Cc1c([C@@H](C)NCC23CC(C2)C[NH2+]3)nnn1-c1cccc(Br)c1 ZINC000665277331 565495138 /nfs/dbraw/zinc/49/51/38/565495138.db2.gz ZEUGYNQYBHXGGZ-FFLHNBHYSA-N 1 0 376.302 2.741 20 0 GFADRO CC1CC[NH+](C[C@@H]2CCCN(C(=O)Cn3cc(Br)cn3)C2)CC1 ZINC000623094475 565495561 /nfs/dbraw/zinc/49/55/61/565495561.db2.gz YQKRNKVHWMFLRY-HNNXBMFYSA-N 1 0 383.334 2.616 20 0 GFADRO COC(=O)[C@@H](c1ccccc1Br)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000595895250 565496225 /nfs/dbraw/zinc/49/62/25/565496225.db2.gz GOSDRJITDQDNFD-WMLDXEAASA-N 1 0 381.314 2.985 20 0 GFADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)NCc3cc(Cl)cc(Cl)c3)CC2)C1 ZINC000665349941 565498671 /nfs/dbraw/zinc/49/86/71/565498671.db2.gz ZXAOSZLTPLPXHP-KRWDZBQOSA-N 1 0 385.339 2.915 20 0 GFADRO COc1cc2nccc(NCC[NH+]3CCC(OC)CC3)c2cc1Br ZINC000644873681 565500547 /nfs/dbraw/zinc/50/05/47/565500547.db2.gz NPJZZRFXGXHIHS-UHFFFAOYSA-N 1 0 394.313 2.951 20 0 GFADRO CO[C@]1(C(F)(F)F)CCCN(C(=O)C2CC[NH+]([C@H]3CCSC3)CC2)C1 ZINC000665444030 565500757 /nfs/dbraw/zinc/50/07/57/565500757.db2.gz HIFVWXZQMLVOAA-GOEBONIOSA-N 1 0 380.476 2.774 20 0 GFADRO COC(=O)[C@@H](NC(=O)CCC1CC[NH2+]CC1)c1ccccc1Br ZINC000595972572 565503709 /nfs/dbraw/zinc/50/37/09/565503709.db2.gz WSXXMNOTUYEEHT-INIZCTEOSA-N 1 0 383.286 2.559 20 0 GFADRO COC(=O)[C@@H](NC(=O)C[C@@H](C[NH3+])CC(C)C)c1ccccc1Br ZINC000595969851 565503830 /nfs/dbraw/zinc/50/38/30/565503830.db2.gz HRZPAMJKKUWGQV-LRDDRELGSA-N 1 0 385.302 2.791 20 0 GFADRO Cc1cc(C[NH2+]Cc2cccc(OCC(=O)N(C)C)c2)ncc1Br ZINC000623362025 565505387 /nfs/dbraw/zinc/50/53/87/565505387.db2.gz CAMYFZSPBJGNPP-UHFFFAOYSA-N 1 0 392.297 2.909 20 0 GFADRO COC(=O)c1sc2c(c1Br)CN(C(=O)[C@@H](C(C)C)[C@@H](C)[NH3+])C2 ZINC000596003847 565505663 /nfs/dbraw/zinc/50/56/63/565505663.db2.gz SYWZJZBSIAGCOW-KCJUWKMLSA-N 1 0 389.315 2.759 20 0 GFADRO CCN(CC)S(=O)(=O)c1ccc(C[NH2+]Cc2cccc3n[nH]cc32)s1 ZINC000623380557 565507251 /nfs/dbraw/zinc/50/72/51/565507251.db2.gz DUNRIODUTBXSFJ-UHFFFAOYSA-N 1 0 378.523 2.945 20 0 GFADRO CC[C@H](O)CC[NH2+]Cc1cc(Cl)cc(Cl)c1OCCN1CCOCC1 ZINC000623451224 565512580 /nfs/dbraw/zinc/51/25/80/565512580.db2.gz OVDISSAFGKKSFM-INIZCTEOSA-N 1 0 391.339 2.955 20 0 GFADRO COc1ccc(Br)cc1C1(NC(=O)NC2CC[NH+](C)CC2)CC1 ZINC000645116488 565513527 /nfs/dbraw/zinc/51/35/27/565513527.db2.gz SBKFTAZJUYLHFY-UHFFFAOYSA-N 1 0 382.302 2.840 20 0 GFADRO C[C@@H]([NH2+]CC(=O)N(C)Cc1cnn(C)c1)c1ccc(F)c(Br)c1 ZINC000645193641 565515578 /nfs/dbraw/zinc/51/55/78/565515578.db2.gz KTZXCMQKOMGJTG-LLVKDONJSA-N 1 0 383.265 2.631 20 0 GFADRO C[NH+]1CCN(CCCNC(=O)c2ccc(OC(F)(F)F)c(Cl)c2)CC1 ZINC000623524001 565517081 /nfs/dbraw/zinc/51/70/81/565517081.db2.gz ZKPNRTJLUHVHOD-UHFFFAOYSA-N 1 0 379.810 2.606 20 0 GFADRO CN(C)c1cc(Br)cc(C(=O)Nc2cnn(CC[NH+](C)C)c2)c1 ZINC000645233145 565517950 /nfs/dbraw/zinc/51/79/50/565517950.db2.gz GULDAKQZGQCQDL-UHFFFAOYSA-N 1 0 380.290 2.526 20 0 GFADRO COCC[N@H+](C)CCNC(=O)N[C@H](C)c1cc(F)c(Br)cc1F ZINC000623572148 565519238 /nfs/dbraw/zinc/51/92/38/565519238.db2.gz SJVUJMORNWNRPG-SNVBAGLBSA-N 1 0 394.260 2.666 20 0 GFADRO COc1nc(C)cc(C)c1C[NH2+][C@@H](C)Cn1cc(Br)ccc1=O ZINC000666087323 565522987 /nfs/dbraw/zinc/52/29/87/565522987.db2.gz DNLJIVXCJXHHSD-ZDUSSCGKSA-N 1 0 380.286 2.810 20 0 GFADRO CO[C@H](CS(=O)(=O)N[C@@H](c1nccn1C)c1ccc(Cl)cc1)C(C)C ZINC000645444945 565525872 /nfs/dbraw/zinc/52/58/72/565525872.db2.gz KKOPWQGPDXGTJB-HZPDHXFCSA-N 1 0 385.917 2.753 20 0 GFADRO Cc1c([C@@H](C)[NH2+]C[C@@H]2CCCNC2=O)nnn1-c1cccc(Br)c1 ZINC000666188270 565527137 /nfs/dbraw/zinc/52/71/37/565527137.db2.gz YAZWNRAUMGODOO-YPMHNXCESA-N 1 0 392.301 2.515 20 0 GFADRO C[N@@H+]1CCCC[C@@H](CNC(=O)NCCOc2ncc(Cl)cc2Cl)C1 ZINC000623766623 565528770 /nfs/dbraw/zinc/52/87/70/565528770.db2.gz JIKOPHNHDZCAMR-LBPRGKRZSA-N 1 0 375.300 2.798 20 0 GFADRO CC[C@@H](C)[N@H+](C)CCNS(=O)(=O)c1cc(Br)c(F)cc1F ZINC000596614894 565529685 /nfs/dbraw/zinc/52/96/85/565529685.db2.gz ABTKEYUZVHKBEN-SECBINFHSA-N 1 0 385.274 2.736 20 0 GFADRO CN1CC[NH+](CCCCNC(=O)c2cc3cc(Br)sc3[nH]2)CC1 ZINC000666326545 565531075 /nfs/dbraw/zinc/53/10/75/565531075.db2.gz JNBIFOMWJTYCGW-UHFFFAOYSA-N 1 0 399.358 2.749 20 0 GFADRO CC[NH+]1CCN([C@H]2CCN(C(=O)NCc3cc(Cl)cc(Cl)c3)C2)CC1 ZINC000596655842 565531478 /nfs/dbraw/zinc/53/14/78/565531478.db2.gz BWHBHFPKOARVQK-KRWDZBQOSA-N 1 0 385.339 2.915 20 0 GFADRO CS(=O)(=O)N1CCC([NH2+]CCc2ccc(Br)cc2Cl)CC1 ZINC000645504380 565533030 /nfs/dbraw/zinc/53/30/30/565533030.db2.gz IQFCOSUXZOEACX-UHFFFAOYSA-N 1 0 395.750 2.659 20 0 GFADRO C[NH+](C)[C@H]1CCCN(S(=O)(=O)c2cc(Cl)ccc2OC(F)(F)F)C1 ZINC000645526704 565534520 /nfs/dbraw/zinc/53/45/20/565534520.db2.gz DYIWSCJIGAMGNU-NSHDSACASA-N 1 0 386.823 2.953 20 0 GFADRO O=S(=O)(NC1CC[NH+](C2CCCC2)CC1)c1ncccc1C(F)(F)F ZINC000645583771 565541426 /nfs/dbraw/zinc/54/14/26/565541426.db2.gz OEAITSHJCTZGFZ-UHFFFAOYSA-N 1 0 377.432 2.786 20 0 GFADRO C[C@]([NH3+])(C(=O)Nc1cnn(C[C@H]2CCCO2)c1)c1ccc(Br)cc1 ZINC000645580743 565541698 /nfs/dbraw/zinc/54/16/98/565541698.db2.gz ARZIZUDXWWCIBY-NVXWUHKLSA-N 1 0 393.285 2.637 20 0 GFADRO C[N@@H+]1C[C@H]2CCN(C(=O)C(=O)Nc3cc(Cl)c(Cl)cc3Cl)[C@@H]2C1 ZINC000645622915 565545512 /nfs/dbraw/zinc/54/55/12/565545512.db2.gz OBWSBWNHNOGQLY-AMIZOPFISA-N 1 0 376.671 2.748 20 0 GFADRO CN1CCOC[C@H]1C[NH2+][C@H](c1cccc(Br)c1)C1CCOCC1 ZINC000624176629 565546809 /nfs/dbraw/zinc/54/68/09/565546809.db2.gz PGJWVEBNDAWTFV-MSOLQXFVSA-N 1 0 383.330 2.837 20 0 GFADRO C[NH+](C)CCC[C@@H]1CN(C(=O)Nc2nc(-c3ccsc3)ns2)CCO1 ZINC000666683237 565548017 /nfs/dbraw/zinc/54/80/17/565548017.db2.gz RICFZCXTFQXMAV-CYBMUJFWSA-N 1 0 381.527 2.841 20 0 GFADRO O=C(CCNC(=O)[C@@H]1C[C@H]1C1CC[NH2+]CC1)Nc1ccc(Br)cc1 ZINC000645688819 565552132 /nfs/dbraw/zinc/55/21/32/565552132.db2.gz AIKOSLAZTNAJDZ-JKSUJKDBSA-N 1 0 394.313 2.530 20 0 GFADRO Ic1ccc2c(c1)[C@@H]([NH2+]CCN1CCCOCC1)CC2 ZINC000597133340 565552810 /nfs/dbraw/zinc/55/28/10/565552810.db2.gz RSYXINHUFXQJQG-INIZCTEOSA-N 1 0 386.277 2.590 20 0 GFADRO [NH3+]C[C@H]1CN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC[C@@H]1C(F)(F)F ZINC000624389505 565554498 /nfs/dbraw/zinc/55/44/98/565554498.db2.gz CJKHPXRNMWEGEJ-HOCLYGCPSA-N 1 0 376.444 2.713 20 0 GFADRO C[N@@H+]1C[C@H]2CCN(S(=O)(=O)c3cc(Cl)ccc3OC(F)(F)F)[C@H]2C1 ZINC000645723290 565555149 /nfs/dbraw/zinc/55/51/49/565555149.db2.gz JYSUAWVPVXFBIM-KOLCDFICSA-N 1 0 384.807 2.563 20 0 GFADRO [NH3+]CCCOCCNS(=O)(=O)c1ccc(Oc2ccccc2Cl)cc1 ZINC000624407730 565556005 /nfs/dbraw/zinc/55/60/05/565556005.db2.gz OYONTUIVBZSUIT-UHFFFAOYSA-N 1 0 384.885 2.776 20 0 GFADRO C[C@]12C[NH2+]C[C@@]1(C)CN(S(=O)(=O)c1c(Cl)cccc1Br)C2 ZINC000624412101 565557145 /nfs/dbraw/zinc/55/71/45/565557145.db2.gz IMKUCGBRZZTQQA-OKILXGFUSA-N 1 0 393.734 2.723 20 0 GFADRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)[C@H]1[C@@H]2c3cccc(Br)c3C[C@H]12 ZINC000624486997 565558941 /nfs/dbraw/zinc/55/89/41/565558941.db2.gz WFVFIAGHCFHOHI-DRCJMICCSA-N 1 0 375.310 2.935 20 0 GFADRO O=C(NC[C@@H](O)COc1cccc(Cl)c1Cl)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000645759591 565559882 /nfs/dbraw/zinc/55/98/82/565559882.db2.gz DFSRGHAHASBXAZ-VEVIJQCQSA-N 1 0 387.307 2.629 20 0 GFADRO CS[C@@H]1CN(C(=O)c2nn(C(C)(C)C)cc2Br)C[C@@H]1[NH+](C)C ZINC000597446740 565561677 /nfs/dbraw/zinc/56/16/77/565561677.db2.gz QXLNAGQRQXHYNZ-NWDGAFQWSA-N 1 0 389.363 2.518 20 0 GFADRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)[C@@H]1CCO[C@H]1c1cncc(Br)c1 ZINC000666915418 565562371 /nfs/dbraw/zinc/56/23/71/565562371.db2.gz ZMVUQVIKJKGDAI-VUCTXSBTSA-N 1 0 394.313 2.522 20 0 GFADRO O=C(NCC12CCC[NH+]1CCC2)c1cc(F)ccc1I ZINC000597587402 565566440 /nfs/dbraw/zinc/56/64/40/565566440.db2.gz SJDASKUMFNUAPF-UHFFFAOYSA-N 1 0 388.224 2.789 20 0 GFADRO CCCN(Cc1ccccc1Br)C(=O)NC[C@@H]1COCCN1C ZINC000624740305 565573615 /nfs/dbraw/zinc/57/36/15/565573615.db2.gz RFZLTBRIXZZYFL-OAHLLOKOSA-N 1 0 384.318 2.701 20 0 GFADRO CC[C@@H](NC(=O)NC[C@@H]1COCCN1C)c1cc(F)cc(Br)c1 ZINC000624731454 565573724 /nfs/dbraw/zinc/57/37/24/565573724.db2.gz PVFXMDNEPOUKBG-HUUCEWRRSA-N 1 0 388.281 2.669 20 0 GFADRO O=C(N[C@@H]1CCN(c2ccccc2Br)C1)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000645969090 565579136 /nfs/dbraw/zinc/57/91/36/565579136.db2.gz NMSVHVIBGPMBDF-OWCLPIDISA-N 1 0 392.341 2.780 20 0 GFADRO C[NH+]1CC2(C1)CCN(C(=O)[C@H]1CC(=O)N(c3cc(Cl)cc(Cl)c3)C1)C2 ZINC000646020927 565582272 /nfs/dbraw/zinc/58/22/72/565582272.db2.gz HDNQQSYPAPRFDC-LBPRGKRZSA-N 1 0 382.291 2.510 20 0 GFADRO C[NH+](C)C[C@@]1(O)CCCN(C(=O)c2cc(F)c(Br)cc2Cl)C1 ZINC000646022243 565582527 /nfs/dbraw/zinc/58/25/27/565582527.db2.gz MSECRGPTXPQTTN-HNNXBMFYSA-N 1 0 393.684 2.770 20 0 GFADRO CC(C)[N@@H+]1CC[C@H](CNC(=O)c2cc(Br)cc3c2OCCO3)C1 ZINC000667376972 565583342 /nfs/dbraw/zinc/58/33/42/565583342.db2.gz HGLXNCLEJFOJEF-GFCCVEGCSA-N 1 0 383.286 2.680 20 0 GFADRO CC[NH+](CC)CC[C@H](CO)NC(=O)C1(c2ccc(Br)cc2)CC1 ZINC000646055825 565584968 /nfs/dbraw/zinc/58/49/68/565584968.db2.gz ZPBFEUQHSQKBDB-MRXNPFEDSA-N 1 0 383.330 2.690 20 0 GFADRO O[C@H](COc1cc(F)cc(Br)c1)C[N@@H+]1CCOC[C@@H]1C1CCC1 ZINC000646059039 565585317 /nfs/dbraw/zinc/58/53/17/565585317.db2.gz AUHVSQAXLPLCQY-DOTOQJQBSA-N 1 0 388.277 2.829 20 0 GFADRO O=C(NCC[NH2+]C1CC1)Nc1nnc(-c2cccc(Br)c2)s1 ZINC000667404312 565585517 /nfs/dbraw/zinc/58/55/17/565585517.db2.gz JXYLZEDELFBUMM-UHFFFAOYSA-N 1 0 382.287 2.841 20 0 GFADRO C[C@@H](C(=O)Nc1cccc(Br)c1)N1CCOC2(CC[NH+](C)CC2)C1 ZINC000646104018 565585931 /nfs/dbraw/zinc/58/59/31/565585931.db2.gz WFGNDQNQSMRDSY-AWEZNQCLSA-N 1 0 396.329 2.573 20 0 GFADRO C[C@H](C(=O)Nc1cccc(Br)c1)N1CCOC2(CC[NH+](C)CC2)C1 ZINC000646104019 565586694 /nfs/dbraw/zinc/58/66/94/565586694.db2.gz WFGNDQNQSMRDSY-CQSZACIVSA-N 1 0 396.329 2.573 20 0 GFADRO O=C(Nc1ccnn1Cc1ccccc1Br)N[C@@H]1CCC[NH2+]CC1 ZINC000667430889 565586740 /nfs/dbraw/zinc/58/67/40/565586740.db2.gz ZUISMKUVHRSUHU-CQSZACIVSA-N 1 0 392.301 2.958 20 0 GFADRO C[C@H](CCNC(=O)C1(c2ccc(I)cc2)CC1)[NH+](C)C ZINC000597993606 565587425 /nfs/dbraw/zinc/58/74/25/565587425.db2.gz TXMDQQCYVRWCRK-GFCCVEGCSA-N 1 0 386.277 2.779 20 0 GFADRO COc1cc(NC(=O)NC[C@H](C)[NH3+])c(Br)cc1Br ZINC000667472609 565589141 /nfs/dbraw/zinc/58/91/41/565589141.db2.gz NMBBKEDKSYAWDO-LURJTMIESA-N 1 0 381.068 2.689 20 0 GFADRO Cc1cc(Br)c(F)cc1S(=O)(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000625019256 565590481 /nfs/dbraw/zinc/59/04/81/565590481.db2.gz XOXULNCGMJAJEN-QWRGUYRKSA-N 1 0 379.295 2.658 20 0 GFADRO CC(C)(C(=O)N[C@H](CO)C[NH+]1CCCC1)c1csc(-c2cccs2)n1 ZINC000646221184 565591599 /nfs/dbraw/zinc/59/15/99/565591599.db2.gz ASXLUDHAWMLRQI-ZDUSSCGKSA-N 1 0 379.551 2.722 20 0 GFADRO O=C(Nc1cc(C(F)(F)F)ccc1Cl)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000667538366 565593548 /nfs/dbraw/zinc/59/35/48/565593548.db2.gz CDGNCEMKLGTDOE-RNCFNFMXSA-N 1 0 375.778 2.508 20 0 GFADRO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)C(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000667584370 565595417 /nfs/dbraw/zinc/59/54/17/565595417.db2.gz ASJRBFYIGNPTOO-YUMQZZPRSA-N 1 0 382.650 2.744 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CN(C(=O)Nc2nc3c(cccc3Br)s2)CCO1 ZINC000667595266 565595673 /nfs/dbraw/zinc/59/56/73/565595673.db2.gz SZQNTKOITCEPJB-PSASIEDQSA-N 1 0 385.287 2.639 20 0 GFADRO O=C([C@@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000646337575 565597541 /nfs/dbraw/zinc/59/75/41/565597541.db2.gz HGOVRQGJXXIACP-HSMVNMDESA-N 1 0 382.291 2.557 20 0 GFADRO CC1([NH3+])CCN(C(=O)Nc2ccn(-c3ccc(Br)cc3)n2)CC1 ZINC000667639543 565598354 /nfs/dbraw/zinc/59/83/54/565598354.db2.gz HMXXDHIIIXCKEG-UHFFFAOYSA-N 1 0 378.274 2.980 20 0 GFADRO Cc1sc2nc(C)nc(SCC(=O)N3CC[C@H]4CC[NH2+][C@H]4C3)c2c1C ZINC000646345238 565598645 /nfs/dbraw/zinc/59/86/45/565598645.db2.gz OQWWXANRHLZTFK-KGLIPLIRSA-N 1 0 376.551 2.919 20 0 GFADRO Cc1cc(Br)c(F)cc1S(=O)(=O)N(C)CC[N@H+](C)C1CC1 ZINC000625126342 565601178 /nfs/dbraw/zinc/60/11/78/565601178.db2.gz BWWJXFIROTUILE-UHFFFAOYSA-N 1 0 379.295 2.611 20 0 GFADRO Cc1c(Br)cncc1CN1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000667683611 565601440 /nfs/dbraw/zinc/60/14/40/565601440.db2.gz WINSWNKPFLZKBD-RDTXWAMCSA-N 1 0 381.362 2.610 20 0 GFADRO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1Cc1cc2cc(Br)ccc2o1 ZINC000667685817 565601881 /nfs/dbraw/zinc/60/18/81/565601881.db2.gz LNCZTKKYCCSKQX-ZDUSSCGKSA-N 1 0 387.299 2.709 20 0 GFADRO CC(C)n1cc(Br)cc1C(=O)N1CCOC[C@@H]1[C@H]1CCC[N@@H+]1C ZINC000646440923 565603313 /nfs/dbraw/zinc/60/33/13/565603313.db2.gz XPEPCRQYHBONJX-GDBMZVCRSA-N 1 0 384.318 2.767 20 0 GFADRO CN1CC[NH+](CC2CN(C(=O)[C@H]3C[C@@H]3c3ccc(Cl)cc3Cl)C2)CC1 ZINC000646458451 565603354 /nfs/dbraw/zinc/60/33/54/565603354.db2.gz YUXHMLQVKMNFPC-SJORKVTESA-N 1 0 382.335 2.803 20 0 GFADRO O=C(NCCc1ccc(F)c(Br)c1)Nc1cnc2c(c1)C[NH2+]CC2 ZINC000667793901 565606144 /nfs/dbraw/zinc/60/61/44/565606144.db2.gz RMWGPWRQANSDGN-UHFFFAOYSA-N 1 0 393.260 2.993 20 0 GFADRO CNC(=O)CC1CC[NH+]([C@H]2CCc3cc(Br)ccc3NC2=O)CC1 ZINC000625201901 565606955 /nfs/dbraw/zinc/60/69/55/565606955.db2.gz CGTAMWPAKNWQNN-INIZCTEOSA-N 1 0 394.313 2.551 20 0 GFADRO CN(Cc1ccccc1Br)C(=O)CC[NH2+][C@H]1CO[C@H](C2CC2)C1 ZINC000667861756 565607335 /nfs/dbraw/zinc/60/73/35/565607335.db2.gz AZCRGUZHFMSQDY-WBVHZDCISA-N 1 0 381.314 2.955 20 0 GFADRO [NH3+]Cc1ccc(C(=O)N2CCN(Cc3cc(Br)ccc3F)CC2)o1 ZINC000646557594 565608238 /nfs/dbraw/zinc/60/82/38/565608238.db2.gz MTSBVBVCENZABA-UHFFFAOYSA-N 1 0 396.260 2.598 20 0 GFADRO COc1ccccc1[C@H]([NH3+])CNC(=O)c1[nH]nc(C(C)C)c1Br ZINC000646603747 565610477 /nfs/dbraw/zinc/61/04/77/565610477.db2.gz TZSQAZCXSMBGEG-LLVKDONJSA-N 1 0 381.274 2.734 20 0 GFADRO C[NH+](C)CCN(Cc1ccsc1)S(=O)(=O)CCc1c(F)cccc1F ZINC000625250280 565611859 /nfs/dbraw/zinc/61/18/59/565611859.db2.gz YVIJDGGQVNYRBY-UHFFFAOYSA-N 1 0 388.505 2.962 20 0 GFADRO O=C(NC[C@H]1CCCC[NH2+]1)[C@H](c1ccc(Br)cc1)N1CCCC1 ZINC000646652609 565612561 /nfs/dbraw/zinc/61/25/61/565612561.db2.gz UBTPKNHNWZUSSB-SJORKVTESA-N 1 0 380.330 2.844 20 0 GFADRO CCCN(C(=O)[C@H]1CCN(c2cc(Cl)ccc2Cl)C1=O)[C@H]1CC[NH2+]C1 ZINC000646698849 565614291 /nfs/dbraw/zinc/61/42/91/565614291.db2.gz BCGIYMBDUACLBJ-UONOGXRCSA-N 1 0 384.307 2.947 20 0 GFADRO CCCN(C(=O)C(=O)Nc1cc(Cl)c(OC)c(Cl)c1)[C@H]1CC[N@H+](C)C1 ZINC000646766797 565617490 /nfs/dbraw/zinc/61/74/90/565617490.db2.gz BZTSOZMEFOHGSX-LBPRGKRZSA-N 1 0 388.295 2.883 20 0 GFADRO COc1cc(NC(=O)NCCOCC[NH+](C)C)c(Cl)cc1Br ZINC000668035178 565620553 /nfs/dbraw/zinc/62/05/53/565620553.db2.gz DUWINMVTEUNEKO-UHFFFAOYSA-N 1 0 394.697 2.811 20 0 GFADRO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)CSc2nnc(-c3ccc(Cl)cc3)o2)C1 ZINC000646919463 565625847 /nfs/dbraw/zinc/62/58/47/565625847.db2.gz IPGPPSDXGAXNSJ-JSGCOSHPSA-N 1 0 378.885 2.645 20 0 GFADRO COCC[C@H](Cc1cccc(Br)c1)C(=O)N1CC[C@@H]2C[N@H+](C)C[C@H]21 ZINC000646922403 565625903 /nfs/dbraw/zinc/62/59/03/565625903.db2.gz LZQMKQWIGICABE-JFIYKMOQSA-N 1 0 395.341 2.807 20 0 GFADRO Cc1cc(Br)ccc1S(=O)(=O)NC[C@@H]1CCCC[N@@H+](C)C1 ZINC000625419950 565628546 /nfs/dbraw/zinc/62/85/46/565628546.db2.gz BJMHJLBTNSLHDQ-ZDUSSCGKSA-N 1 0 375.332 2.768 20 0 GFADRO CN(Cc1c(F)cncc1Br)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000668161769 565629116 /nfs/dbraw/zinc/62/91/16/565629116.db2.gz DHVKKSAXLPLKQX-AWEZNQCLSA-N 1 0 385.325 2.584 20 0 GFADRO Cc1c(Br)cncc1CN1CCCC[C@H]1CCS(C)(=O)=O ZINC000668185891 565630536 /nfs/dbraw/zinc/63/05/36/565630536.db2.gz XEWXVGZYMZKYSO-AWEZNQCLSA-N 1 0 375.332 2.942 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000646998222 565632410 /nfs/dbraw/zinc/63/24/10/565632410.db2.gz XCSMJMBAOQZTRQ-KGLIPLIRSA-N 1 0 377.286 2.943 20 0 GFADRO CC[C@@H]1CN(C(=O)[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)CC[C@H]1[NH3+] ZINC000647008996 565632470 /nfs/dbraw/zinc/63/24/70/565632470.db2.gz XFIDBWOQDCJVNW-PVXIVEMSSA-N 1 0 384.307 2.932 20 0 GFADRO CCCN(C(=O)C(=O)NCCc1cc(Cl)cc(Cl)c1)[C@H]1CC[N@H+](C)C1 ZINC000647016184 565633612 /nfs/dbraw/zinc/63/36/12/565633612.db2.gz VJMYTMWNEINXCE-INIZCTEOSA-N 1 0 386.323 2.595 20 0 GFADRO C[C@H](CCCC[NH3+])NC(=O)c1ncc(Br)cc1Br ZINC000647051861 565634209 /nfs/dbraw/zinc/63/42/09/565634209.db2.gz YOCSGEXICCAXBU-MRVPVSSYSA-N 1 0 379.096 2.854 20 0 GFADRO O=C(CCc1nc2cc(Br)ccc2s1)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000647057567 565634540 /nfs/dbraw/zinc/63/45/40/565634540.db2.gz WNJKAWSVELIPKX-QWRGUYRKSA-N 1 0 386.290 2.808 20 0 GFADRO C[C@H](CCC[NH3+])NC(=O)CCc1nc(-c2cc(Br)cs2)no1 ZINC000647064119 565635590 /nfs/dbraw/zinc/63/55/90/565635590.db2.gz ZFMIXLRLMBUBEL-SECBINFHSA-N 1 0 387.303 2.737 20 0 GFADRO [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)c1ccn(-c2cccc(Br)c2)n1 ZINC000647072220 565635726 /nfs/dbraw/zinc/63/57/26/565635726.db2.gz YSUHLKHYOPDTCT-ZKHDCCDFSA-N 1 0 389.297 2.881 20 0 GFADRO CC(C)(C)NS(=O)(=O)c1cc(-c2nc([C@H]3CCC[NH2+]3)no2)ccc1Cl ZINC000647154546 565641290 /nfs/dbraw/zinc/64/12/90/565641290.db2.gz CYFBNFGWEPLKGE-GFCCVEGCSA-N 1 0 384.889 2.891 20 0 GFADRO CC(C)N(C)S(=O)(=O)c1ccc(Cl)c(-c2nc([C@H]3CCC[NH2+]3)no2)c1 ZINC000647155374 565641910 /nfs/dbraw/zinc/64/19/10/565641910.db2.gz YAOZBMOLRMEVRY-CQSZACIVSA-N 1 0 384.889 2.843 20 0 GFADRO COc1ccccc1[C@H]([NH3+])CNS(=O)(=O)c1ccc(C)c(Br)c1 ZINC000647187093 565644641 /nfs/dbraw/zinc/64/46/41/565644641.db2.gz CVHACKOAFWLNRQ-OAHLLOKOSA-N 1 0 399.310 2.744 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+]CCc2ccccc2C(F)(F)F)c(F)c1 ZINC000647174835 565644917 /nfs/dbraw/zinc/64/49/17/565644917.db2.gz OCMWFARHNDVFAV-UHFFFAOYSA-N 1 0 376.375 2.824 20 0 GFADRO OC[C@H]([NH2+]Cc1cc(OC(F)F)ccc1Br)C1CCOCC1 ZINC000647200450 565646158 /nfs/dbraw/zinc/64/61/58/565646158.db2.gz IIDRFPCYUIZTLK-AWEZNQCLSA-N 1 0 380.229 2.928 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)C(=O)NCCSc2ccc(Cl)cc2)C1 ZINC000668391551 565646138 /nfs/dbraw/zinc/64/61/38/565646138.db2.gz RKSHYHPPRRDVBA-CQSZACIVSA-N 1 0 383.945 2.537 20 0 GFADRO O=S(=O)(c1ccc(C(F)(F)F)cc1F)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647238078 565648672 /nfs/dbraw/zinc/64/86/72/565648672.db2.gz DLBPRKRMPVKRBS-RISCZKNCSA-N 1 0 380.407 2.997 20 0 GFADRO CC(C)(C[NH2+]Cc1cn(-c2cccc(Cl)c2Cl)nn1)[C@@]1(O)CCOC1 ZINC000647247006 565649107 /nfs/dbraw/zinc/64/91/07/565649107.db2.gz VVDAKCHVBYCYRE-QGZVFWFLSA-N 1 0 385.295 2.841 20 0 GFADRO CC(C)(C[NH2+]Cc1cn(-c2ccc(Cl)c(Cl)c2)nn1)[C@]1(O)CCOC1 ZINC000647247738 565649254 /nfs/dbraw/zinc/64/92/54/565649254.db2.gz ZFPUOWYJPVCLNU-KRWDZBQOSA-N 1 0 385.295 2.841 20 0 GFADRO [NH3+][C@H]1CCC[C@H](NS(=O)(=O)Cc2ccc(Br)cc2Cl)C1 ZINC000647259613 565649418 /nfs/dbraw/zinc/64/94/18/565649418.db2.gz FQMYOSLOXTZJNP-RYUDHWBXSA-N 1 0 381.723 2.792 20 0 GFADRO CC(C)(C[NH2+]Cc1cn(-c2ccc(Cl)cc2Cl)nn1)[C@]1(O)CCOC1 ZINC000647246757 565649675 /nfs/dbraw/zinc/64/96/75/565649675.db2.gz PYJIEJVMVMRBAE-KRWDZBQOSA-N 1 0 385.295 2.841 20 0 GFADRO CC[C@H]1CN(S(=O)(=O)c2cc(Cl)c(Br)cc2F)CC[C@@H]1[NH3+] ZINC000647268846 565651622 /nfs/dbraw/zinc/65/16/22/565651622.db2.gz ITOFOQDPGWHCLU-UFBFGSQYSA-N 1 0 399.713 2.990 20 0 GFADRO CC[C@H]1CN(S(=O)(=O)c2ccc(Cl)cc2Br)CC[C@@H]1[NH3+] ZINC000647269429 565651886 /nfs/dbraw/zinc/65/18/86/565651886.db2.gz SBCOYMQQETUUKJ-CABZTGNLSA-N 1 0 381.723 2.850 20 0 GFADRO CC[C@H]1CN(S(=O)(=O)c2cc(Cl)c(Br)cc2F)CC[C@H]1[NH3+] ZINC000647268845 565651911 /nfs/dbraw/zinc/65/19/11/565651911.db2.gz ITOFOQDPGWHCLU-QPUJVOFHSA-N 1 0 399.713 2.990 20 0 GFADRO C[NH2+][C@H]1CCCN(S(=O)(=O)Cc2ccc(Br)cc2Cl)C1 ZINC000647278213 565654253 /nfs/dbraw/zinc/65/42/53/565654253.db2.gz PJBSWZCWAYFZRQ-LBPRGKRZSA-N 1 0 381.723 2.616 20 0 GFADRO O=S(=O)(N[C@H]1CC12CC[NH2+]CC2)c1cc(Cl)ccc1OCC1CCC1 ZINC000647303016 565654904 /nfs/dbraw/zinc/65/49/04/565654904.db2.gz DZTDEKSKLJGJSE-KRWDZBQOSA-N 1 0 384.929 2.939 20 0 GFADRO O[C@@H](Cn1cccn1)C[N@@H+]1CC[C@@H](Sc2ccc(Br)cc2)C1 ZINC000625706304 565655348 /nfs/dbraw/zinc/65/53/48/565655348.db2.gz ZQQMCHFXOCMZSH-GDBMZVCRSA-N 1 0 382.327 2.873 20 0 GFADRO COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+][C@H]1CC[C@@H](C)S(=O)(=O)C1 ZINC000668561728 565655714 /nfs/dbraw/zinc/65/57/14/565655714.db2.gz REDLPWRURYVURL-SCRDCRAPSA-N 1 0 388.917 2.621 20 0 GFADRO O=S(=O)(N[C@@H]1C[NH2+]CCC1(F)F)c1cc(Cl)cc(C(F)(F)F)c1 ZINC000647319541 565656387 /nfs/dbraw/zinc/65/63/87/565656387.db2.gz CCROELHLVHFQQO-SNVBAGLBSA-N 1 0 378.750 2.634 20 0 GFADRO CC(C)(C)c1nnc(C[NH2+][C@]2(CO)CCc3cc(Br)ccc3C2)[nH]1 ZINC000625797193 565660790 /nfs/dbraw/zinc/66/07/90/565660790.db2.gz SBPRQSMJOAUZSJ-GOSISDBHSA-N 1 0 393.329 2.874 20 0 GFADRO CC[C@H]1CN(Cc2ccc(Br)cc2N2CCOCC2)CC[C@@H]1[NH3+] ZINC000647497374 565661802 /nfs/dbraw/zinc/66/18/02/565661802.db2.gz FETHAAYKHYUAKC-YOEHRIQHSA-N 1 0 382.346 2.845 20 0 GFADRO C[N@@H+]1CCCN(CCCNC(=O)c2cc3cc(Br)sc3[nH]2)CC1 ZINC000668695673 565662591 /nfs/dbraw/zinc/66/25/91/565662591.db2.gz HXYNTOJIQNHFFA-UHFFFAOYSA-N 1 0 399.358 2.749 20 0 GFADRO CC[C@@H](O)CCC[NH2+]C[C@H](O)COc1ccc(Cl)cc1Br ZINC000647528884 565662673 /nfs/dbraw/zinc/66/26/73/565662673.db2.gz NESWRKHVVDUKDJ-OLZOCXBDSA-N 1 0 380.710 2.983 20 0 GFADRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)Nc1ccnn1Cc1ccc(Br)cc1 ZINC000625880792 565664583 /nfs/dbraw/zinc/66/45/83/565664583.db2.gz NSCGGAGZQNLJNR-SMDDNHRTSA-N 1 0 378.274 2.566 20 0 GFADRO [NH3+]CC[C@@H](NC(=O)NCc1cc(F)c(Br)cc1F)C(F)(F)F ZINC000625898314 565665451 /nfs/dbraw/zinc/66/54/51/565665451.db2.gz MUJRBGYFMZOQBI-SNVBAGLBSA-N 1 0 390.150 2.806 20 0 GFADRO COc1ccc(CN2CCO[C@H](CCC[NH+](C)C)C2)c(Br)c1O ZINC000668785038 565665558 /nfs/dbraw/zinc/66/55/58/565665558.db2.gz LUJWROGPDAQRMU-CQSZACIVSA-N 1 0 387.318 2.706 20 0 GFADRO CCN(C(=O)C(=O)NC[C@H](C)c1c(Cl)cccc1Cl)[C@@H]1CC[N@H+](C)C1 ZINC000668781282 565665761 /nfs/dbraw/zinc/66/57/61/565665761.db2.gz ONEQBDMMPHPYHK-QWHCGFSZSA-N 1 0 386.323 2.766 20 0 GFADRO Cc1c(F)c(Br)ccc1C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000668803283 565667708 /nfs/dbraw/zinc/66/77/08/565667708.db2.gz KQMOTBJVZFLIHT-CQSZACIVSA-N 1 0 398.320 2.749 20 0 GFADRO CCOC(=O)[C@H](C)[C@@H](C)[NH2+][C@H]1CCc2cc(Br)ccc2NC1=O ZINC000599361824 565672237 /nfs/dbraw/zinc/67/22/37/565672237.db2.gz DZZXLEXGKQARKJ-HFAKWTLXSA-N 1 0 383.286 2.880 20 0 GFADRO C[C@H]1C[C@H](c2ccc(Br)cc2)C[N@@H+]1CCN1CCCS1(=O)=O ZINC000626040297 565672612 /nfs/dbraw/zinc/67/26/12/565672612.db2.gz BFZLJUIXKQMLSM-ZFWWWQNUSA-N 1 0 387.343 2.662 20 0 GFADRO C[N@H+](C[C@@H](O)COc1ccc(Cl)cc1Br)C[C@H]1C[C@@H](O)C1 ZINC000626044119 565673044 /nfs/dbraw/zinc/67/30/44/565673044.db2.gz QFMLCEFXGLOHSR-KGYLQXTDSA-N 1 0 378.694 2.545 20 0 GFADRO Cc1noc([C@@H]2OCC[C@@H]2[NH2+]C[C@@H](O)COc2cc(Cl)ccc2Cl)n1 ZINC000626146128 565677511 /nfs/dbraw/zinc/67/75/11/565677511.db2.gz PVJRAHWPKIKJAO-OSAQELSMSA-N 1 0 388.251 2.544 20 0 GFADRO C[C@H](NC(=O)CN(C1CC1)C1CC[NH2+]CC1)c1ccc(Br)cc1 ZINC000647814687 565678001 /nfs/dbraw/zinc/67/80/01/565678001.db2.gz ZPRJBXAJGLJGLF-ZDUSSCGKSA-N 1 0 380.330 2.843 20 0 GFADRO [NH3+]Cc1ccc(CN[C@@H]2CCS(=O)(=O)c3ccc(Br)cc32)cc1 ZINC000647803208 565678738 /nfs/dbraw/zinc/67/87/38/565678738.db2.gz MGKDGSGXZRADML-MRXNPFEDSA-N 1 0 395.322 2.916 20 0 GFADRO COCCC[N@H+](C)CCNC(=O)c1cc2c(ccc(Br)c2C)[nH]1 ZINC000669187914 565681033 /nfs/dbraw/zinc/68/10/33/565681033.db2.gz REQXOMKDEGCKRW-UHFFFAOYSA-N 1 0 382.302 2.937 20 0 GFADRO COCCC[N@H+](C)CCNC(=O)C(C)(C)Oc1ccc(Br)cc1 ZINC000669187989 565681186 /nfs/dbraw/zinc/68/11/86/565681186.db2.gz SUJDVAFSJCGBIJ-UHFFFAOYSA-N 1 0 387.318 2.691 20 0 GFADRO COc1ccc(Cl)cc1CNC(=O)C[NH2+][C@@H](C(C)C)[C@H](O)C(F)(F)F ZINC000647931612 565685270 /nfs/dbraw/zinc/68/52/70/565685270.db2.gz UAXCWJKHRHFGTO-GJZGRUSLSA-N 1 0 382.810 2.502 20 0 GFADRO Cc1ccc(C(=O)N2CCN(C(=O)[C@@H]([NH3+])c3cccc(Cl)c3)CC2)s1 ZINC000648015396 565686963 /nfs/dbraw/zinc/68/69/63/565686963.db2.gz CRIGUGSJMWFJFX-INIZCTEOSA-N 1 0 377.897 2.694 20 0 GFADRO COc1ccc(Br)c(CNC(=O)C2([NH3+])Cc3ccccc3C2)c1 ZINC000648002038 565687564 /nfs/dbraw/zinc/68/75/64/565687564.db2.gz XNKBABLMXRVGNE-UHFFFAOYSA-N 1 0 375.266 2.570 20 0 GFADRO O=C([C@@H]1C[NH2+]CCC1(F)F)N1CCO[C@@H](c2cccc(Br)c2)C1 ZINC000648031218 565688758 /nfs/dbraw/zinc/68/87/58/565688758.db2.gz HMWHTNWSWMAWKL-UONOGXRCSA-N 1 0 389.240 2.594 20 0 GFADRO COC(=O)c1cc(Br)c(F)cc1NC(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000599604262 565692196 /nfs/dbraw/zinc/69/21/96/565692196.db2.gz OEWQKKITZVZYGY-BDAKNGLRSA-N 1 0 388.237 2.637 20 0 GFADRO COC(=O)c1cc(F)c(Br)cc1NC(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000599606965 565692236 /nfs/dbraw/zinc/69/22/36/565692236.db2.gz SHLSTVYESLKXJV-BDAKNGLRSA-N 1 0 388.237 2.637 20 0 GFADRO C[C@@H]1CC[C@H](NC(=O)Nc2ccc(F)cc2I)C[NH2+]1 ZINC000599601263 565692741 /nfs/dbraw/zinc/69/27/41/565692741.db2.gz NNYUMBHGOLTOFB-SCZZXKLOSA-N 1 0 377.201 2.692 20 0 GFADRO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)NCc1cc(Br)cc2c1OCC2 ZINC000669561186 565692811 /nfs/dbraw/zinc/69/28/11/565692811.db2.gz VKVIRDBHRJMAKU-SWLSCSKDSA-N 1 0 382.302 2.701 20 0 GFADRO COC(=O)c1c(Br)ccc(NC(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)c1C ZINC000599607220 565692923 /nfs/dbraw/zinc/69/29/23/565692923.db2.gz UIAKVFWUGOPAMI-GXSJLCMTSA-N 1 0 384.274 2.806 20 0 GFADRO C[C@H]1CC[C@@H](NC(=O)Nc2ccc(F)cc2I)C[NH2+]1 ZINC000599601265 565692969 /nfs/dbraw/zinc/69/29/69/565692969.db2.gz NNYUMBHGOLTOFB-WCBMZHEXSA-N 1 0 377.201 2.692 20 0 GFADRO CC[NH+](CC)CCOCCNC(=O)c1cc(C)cc(Br)c1F ZINC000626445410 565693746 /nfs/dbraw/zinc/69/37/46/565693746.db2.gz WZNNWZJBWXOFSQ-UHFFFAOYSA-N 1 0 375.282 2.985 20 0 GFADRO C[C@@H]([NH3+])CNC(=O)N[C@@H](Cc1ccccn1)c1ccc(Br)cc1 ZINC000669568707 565693387 /nfs/dbraw/zinc/69/33/87/565693387.db2.gz JNBRUJGXGNRXLC-WBMJQRKESA-N 1 0 377.286 2.774 20 0 GFADRO O=C(N[C@@H]1CC[NH2+]C12CCCC2)c1cc(=O)c2cc(Br)ccc2[nH]1 ZINC000648209450 565693405 /nfs/dbraw/zinc/69/34/05/565693405.db2.gz VUPDZZMWFCGJOA-MRXNPFEDSA-N 1 0 390.281 2.695 20 0 GFADRO CC1([NH3+])CCN(C(=O)N[C@H]2CCN(c3cccc(Br)c3)C2)CC1 ZINC000669572030 565693425 /nfs/dbraw/zinc/69/34/25/565693425.db2.gz SWTJVKDHXJEQRC-AWEZNQCLSA-N 1 0 381.318 2.551 20 0 GFADRO COc1ccc(Br)cc1C1(NC(=O)COC2CCC([NH3+])CC2)CC1 ZINC000648191554 565693558 /nfs/dbraw/zinc/69/35/58/565693558.db2.gz QODDAVYBEQYKBW-UHFFFAOYSA-N 1 0 397.313 2.850 20 0 GFADRO C[C@H]1CC[C@@H](NC(=O)Nc2cc(F)c(F)cc2I)C[NH2+]1 ZINC000599608250 565693509 /nfs/dbraw/zinc/69/35/09/565693509.db2.gz NRLSIPJXVGBDOZ-JGVFFNPUSA-N 1 0 395.191 2.831 20 0 GFADRO CC1([NH3+])CCN(C(=O)NCc2cnn(-c3ccc(Br)cc3)c2)CC1 ZINC000669571684 565693647 /nfs/dbraw/zinc/69/36/47/565693647.db2.gz LPIWTFHMHDCTEY-UHFFFAOYSA-N 1 0 392.301 2.658 20 0 GFADRO O=C(Cc1cc2c(cc1Br)OCCO2)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000648186470 565693852 /nfs/dbraw/zinc/69/38/52/565693852.db2.gz WBWCBJIXPKADEU-CYBMUJFWSA-N 1 0 395.297 2.554 20 0 GFADRO O=C(CCNC(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1)Nc1cc(Cl)cc(Cl)c1 ZINC000669592145 565694483 /nfs/dbraw/zinc/69/44/83/565694483.db2.gz CXSFEZICCGPOQZ-NHYWBVRUSA-N 1 0 385.295 2.715 20 0 GFADRO O=C(NCCc1c[nH]c2cccc(Br)c12)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000669588501 565694563 /nfs/dbraw/zinc/69/45/63/565694563.db2.gz RBFSYVHWFCAAON-DZGCQCFKSA-N 1 0 391.313 2.866 20 0 GFADRO O=C(c1cn2cc(Cl)cc(Cl)c2n1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000669593823 565695316 /nfs/dbraw/zinc/69/53/16/565695316.db2.gz AWXDOSHMFVGBRC-UHFFFAOYSA-N 1 0 376.247 2.999 20 0 GFADRO O=C(N[C@H]1CC[N@H+](CC2CC2)C1)N[C@@H]1COc2cc(F)c(Br)cc21 ZINC000669649683 565697276 /nfs/dbraw/zinc/69/72/76/565697276.db2.gz MCFRRDRRORYBFP-XHDPSFHLSA-N 1 0 398.276 2.805 20 0 GFADRO CC[N@@H+]1CCN(c2nnc(-c3cc(F)ccc3Br)n2C)C[C@H]1C ZINC000669788950 565702651 /nfs/dbraw/zinc/70/26/51/565702651.db2.gz POJLAKVJROAKGO-LLVKDONJSA-N 1 0 382.281 2.914 20 0 GFADRO Cc1ccc(CC(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)c(Br)c1 ZINC000648316139 565702893 /nfs/dbraw/zinc/70/28/93/565702893.db2.gz IERBEJRLNCBAQW-INIZCTEOSA-N 1 0 394.357 2.585 20 0 GFADRO Cn1nc2cc(Br)ccc2c1C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000648361461 565707051 /nfs/dbraw/zinc/70/70/51/565707051.db2.gz NQDXSMFFQNBZAN-QWHCGFSZSA-N 1 0 377.286 2.692 20 0 GFADRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCC[C@H]1c1ccc(I)cc1 ZINC000599938749 565707089 /nfs/dbraw/zinc/70/70/89/565707089.db2.gz PPBWNEDUESHGOW-GLQYFDAESA-N 1 0 399.276 2.888 20 0 GFADRO O=C(Nc1ccc(Cl)cc1C(F)(F)F)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000626849959 565713248 /nfs/dbraw/zinc/71/32/48/565713248.db2.gz LDZWNJHTESJSQD-GFCCVEGCSA-N 1 0 375.778 2.698 20 0 GFADRO Cc1cc(Cl)ccc1NC(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000626861834 565714330 /nfs/dbraw/zinc/71/43/30/565714330.db2.gz WVTNDNPOCUGRAW-JQWIXIFHSA-N 1 0 377.794 2.573 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)CC[C@@H]1C(F)(F)F ZINC000626861378 565714562 /nfs/dbraw/zinc/71/45/62/565714562.db2.gz NGHAUSDHDRZKOT-SCZZXKLOSA-N 1 0 398.212 2.918 20 0 GFADRO C[C@@H]1CC[C@@H](NC(=O)C(=O)Nc2ccc(Br)c3ccccc23)C[NH2+]1 ZINC000626891170 565714565 /nfs/dbraw/zinc/71/45/65/565714565.db2.gz ULUQGXNJUCLJNK-VXGBXAGGSA-N 1 0 390.281 2.798 20 0 GFADRO C[C@@H](NC(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1)c1cc2c(cc1Br)OCCO2 ZINC000626943380 565716290 /nfs/dbraw/zinc/71/62/90/565716290.db2.gz CYLQFHKREBWWNK-IJLUTSLNSA-N 1 0 398.301 2.721 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000626964465 565716976 /nfs/dbraw/zinc/71/69/76/565716976.db2.gz GNAMMHRKFLWTCP-TZMCWYRMSA-N 1 0 397.317 2.526 20 0 GFADRO C[N@H+](CCNC(=O)C(=O)Nc1ccc(-c2ccc(Cl)s2)nc1)C1CC1 ZINC000670200967 565718025 /nfs/dbraw/zinc/71/80/25/565718025.db2.gz AYSRCBZEEDYUGP-UHFFFAOYSA-N 1 0 378.885 2.612 20 0 GFADRO CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000627008345 565718632 /nfs/dbraw/zinc/71/86/32/565718632.db2.gz GJDLITXGRQAGIY-APYUEPQZSA-N 1 0 384.318 2.965 20 0 GFADRO C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)N[C@@H]1C[C@H]1c1ccccc1Br)C2 ZINC000627024026 565719856 /nfs/dbraw/zinc/71/98/56/565719856.db2.gz HJDGWZJKFHHTDM-UNQWWWNPSA-N 1 0 378.314 2.946 20 0 GFADRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NCCc1c[nH]c2cccc(Br)c12 ZINC000627038473 565720764 /nfs/dbraw/zinc/72/07/64/565720764.db2.gz MEXSDTRKXOQYBX-UONOGXRCSA-N 1 0 379.302 2.913 20 0 GFADRO COc1ncc(Br)cc1CNC(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000627074109 565720864 /nfs/dbraw/zinc/72/08/64/565720864.db2.gz GJPVSVRRKIADEG-AWEZNQCLSA-N 1 0 385.306 2.560 20 0 GFADRO Cc1cc2cc(C(=O)NC[C@@H]3C[N@@H+]4CCN3CCC4)oc2c(Br)c1 ZINC000670407714 565721412 /nfs/dbraw/zinc/72/14/12/565721412.db2.gz YFNUZUVIGAHAML-CQSZACIVSA-N 1 0 392.297 2.623 20 0 GFADRO [NH3+]CC1(NC(=O)NCC2(Cc3ccc(Br)cc3)CC2)CCOCC1 ZINC000627115252 565721930 /nfs/dbraw/zinc/72/19/30/565721930.db2.gz PJWCDBRDCROFQK-UHFFFAOYSA-N 1 0 396.329 2.579 20 0 GFADRO O=C(NC[C@H]1COCC[NH2+]1)N[C@@H]1CCCCc2cc(Br)ccc21 ZINC000627117533 565722329 /nfs/dbraw/zinc/72/23/29/565722329.db2.gz HNYBYNDLMNQUNM-GOEBONIOSA-N 1 0 382.302 2.504 20 0 GFADRO C[C@@H](NC(=O)NC1(C[NH3+])CCOCC1)c1cc(F)c(Br)cc1F ZINC000627125723 565723043 /nfs/dbraw/zinc/72/30/43/565723043.db2.gz ORBZGWWBAIEQJM-SECBINFHSA-N 1 0 392.244 2.595 20 0 GFADRO O=C(CCCOc1cccc(Cl)c1Cl)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000670447011 565723673 /nfs/dbraw/zinc/72/36/73/565723673.db2.gz CXCAMPDCWGLJJM-AWEZNQCLSA-N 1 0 386.323 2.659 20 0 GFADRO Cc1cn2c(nc(C)c2C[NH2+]Cc2cccc(S(=O)(=O)N(C)C)c2)s1 ZINC000648725114 565724412 /nfs/dbraw/zinc/72/44/12/565724412.db2.gz FCAPWHRKQBJZPU-UHFFFAOYSA-N 1 0 378.523 2.553 20 0 GFADRO C[C@@H]1CC[C@H](NC(=O)NC(C)(C)COc2ncc(Cl)cc2Cl)C[NH2+]1 ZINC000627204785 565725659 /nfs/dbraw/zinc/72/56/59/565725659.db2.gz GFCOTYYXBBRDNX-PWSUYJOCSA-N 1 0 375.300 2.986 20 0 GFADRO CC(C)N(Cc1cc(Br)ccc1F)C(=O)NCCOCCC[NH3+] ZINC000627213960 565726791 /nfs/dbraw/zinc/72/67/91/565726791.db2.gz UPEKYIJJUZIORA-UHFFFAOYSA-N 1 0 390.297 2.874 20 0 GFADRO O=C(c1cc(Br)cc2ccccc21)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000627258078 565728360 /nfs/dbraw/zinc/72/83/60/565728360.db2.gz UAHVYJBHCYICJN-HOTGVXAUSA-N 1 0 389.293 2.883 20 0 GFADRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)c1c2ccc(Br)cc2nn1C ZINC000648786031 565729444 /nfs/dbraw/zinc/72/94/44/565729444.db2.gz NUGDKZKAGDVQRO-LBPRGKRZSA-N 1 0 379.302 2.750 20 0 GFADRO C[C@H](NC(=O)C(=O)N1CC[C@H]2CC[N@H+](C)C[C@@H]21)c1ccc(Cl)c(Cl)c1 ZINC000670587547 565730499 /nfs/dbraw/zinc/73/04/99/565730499.db2.gz KKWFZGVURIATAV-OZVIIMIRSA-N 1 0 384.307 2.723 20 0 GFADRO O=C(c1cnc(-c2cccc(Cl)c2)s1)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000627269970 565730591 /nfs/dbraw/zinc/73/05/91/565730591.db2.gz ANJQILLFWREXBA-GJZGRUSLSA-N 1 0 377.897 2.745 20 0 GFADRO CC[NH+](CC)[C@H]1CCN(C(=O)c2c3ccc(Br)cc3nn2C)C1 ZINC000648802730 565730938 /nfs/dbraw/zinc/73/09/38/565730938.db2.gz GUMFNXMIINCHNC-ZDUSSCGKSA-N 1 0 379.302 2.892 20 0 GFADRO C[C@@H](NC(=O)C(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1)c1cc(F)c(Cl)cc1Cl ZINC000627292202 565731504 /nfs/dbraw/zinc/73/15/04/565731504.db2.gz OLAQHJOZQAIDFA-OPRDCNLKSA-N 1 0 376.259 2.566 20 0 GFADRO Cc1cc(C)c(C(=O)N2CC[C@@H]([N@@H+]3CC[C@@H](O)C3)C2)c(C)c1Br ZINC000627272719 565731614 /nfs/dbraw/zinc/73/16/14/565731614.db2.gz SXQDUIRJMOKYTC-HUUCEWRRSA-N 1 0 381.314 2.655 20 0 GFADRO C[C@@H](NC(=O)C(=O)N[C@@H]1CC[NH2+]C12CCC2)c1cc(F)c(Cl)cc1Cl ZINC000627292035 565731723 /nfs/dbraw/zinc/73/17/23/565731723.db2.gz KFMGWCAZRSAMCT-YMTOWFKASA-N 1 0 388.270 2.711 20 0 GFADRO C[N@@H+]1C[C@@H]2CCN(C(=O)c3cc(Br)ccc3OC(F)F)[C@@H]2C1 ZINC000648911467 565738363 /nfs/dbraw/zinc/73/83/63/565738363.db2.gz NBVVHBMSTKTBIL-JOYOIKCWSA-N 1 0 375.213 2.827 20 0 GFADRO O=C(NC[C@@H]1CCC[N@H+]1CCCO)c1cc2c(cncc2Br)s1 ZINC000648918062 565739578 /nfs/dbraw/zinc/73/95/78/565739578.db2.gz LBVMMNIHUDMUNL-NSHDSACASA-N 1 0 398.326 2.635 20 0 GFADRO C[NH+](C)[C@@H]1[C@H]2CN(C(=O)C3(c4ccc(Br)cc4)CCOCC3)C[C@H]21 ZINC000627649781 565744963 /nfs/dbraw/zinc/74/49/63/565744963.db2.gz KTFBMERHSOJVEN-FVQHAEBGSA-N 1 0 393.325 2.516 20 0 GFADRO COc1ccc(Br)c2[nH]c(C(=O)N3C[C@H]4[C@@H](C3)[C@@H]4[NH+](C)C)cc21 ZINC000627647663 565745234 /nfs/dbraw/zinc/74/52/34/565745234.db2.gz IYXUFRZYBYKAGY-CDMJZVDBSA-N 1 0 378.270 2.571 20 0 GFADRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)CCCc1cc(Cl)sc1Cl ZINC000649074893 565745972 /nfs/dbraw/zinc/74/59/72/565745972.db2.gz ROAJYHYYWIWXEQ-LLVKDONJSA-N 1 0 392.352 2.956 20 0 GFADRO COc1c(Br)ccc(C)c1C(=O)N1CCOC2(CC[NH+](C)CC2)C1 ZINC000649129211 565749434 /nfs/dbraw/zinc/74/94/34/565749434.db2.gz PLTLYFKDSWNFTI-UHFFFAOYSA-N 1 0 397.313 2.703 20 0 GFADRO C[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1C[C@H]1c1ccc(Br)cc1)CCO2 ZINC000649128819 565749784 /nfs/dbraw/zinc/74/97/84/565749784.db2.gz ALKRSZUPKPLXJS-DLBZAZTESA-N 1 0 393.325 2.876 20 0 GFADRO C[N@@H+]1CCCC[C@H](CNC(=O)C(=O)Nc2cc(Cl)c(F)c(Cl)c2)C1 ZINC000627827027 565754450 /nfs/dbraw/zinc/75/44/50/565754450.db2.gz OBTAZAXXBPGUAH-SNVBAGLBSA-N 1 0 376.259 2.919 20 0 GFADRO Cc1ccc(NC(=O)C(=O)NC[C@@H]2CCCC[N@@H+](C)C2)cc1Br ZINC000627829067 565754522 /nfs/dbraw/zinc/75/45/22/565754522.db2.gz UMOMFABYWSWNSA-ZDUSSCGKSA-N 1 0 382.302 2.544 20 0 GFADRO Cc1c(Br)cccc1NC(=O)C(=O)NC[C@H]1CCCC[N@@H+](C)C1 ZINC000627827745 565754857 /nfs/dbraw/zinc/75/48/57/565754857.db2.gz HRLLECORQOQAEV-CYBMUJFWSA-N 1 0 382.302 2.544 20 0 GFADRO [NH3+][C@@H](C(=O)NC[C@@H](c1cccs1)N1CCOCC1)c1cccc(Cl)c1 ZINC000649277247 565756820 /nfs/dbraw/zinc/75/68/20/565756820.db2.gz POPOXPWLCKMOPF-DOTOQJQBSA-N 1 0 379.913 2.591 20 0 GFADRO CC1(C)CN(c2ncc(Br)cc2C(F)(F)F)CC[N@@H+]1CCO ZINC000649339116 565758720 /nfs/dbraw/zinc/75/87/20/565758720.db2.gz NTPQHLOZLKRMRT-UHFFFAOYSA-N 1 0 382.224 2.756 20 0 GFADRO O=C1CCCN1[C@H]1CCC[N@@H+](C[C@H](O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000601071057 565766275 /nfs/dbraw/zinc/76/62/75/565766275.db2.gz ZCROGNWOVJXNNE-KBPBESRZSA-N 1 0 387.307 2.820 20 0 GFADRO C[C@@H](CSc1ccccc1)[N@H+](C)CCOc1ccc(S(N)(=O)=O)cc1 ZINC000649664888 565771049 /nfs/dbraw/zinc/77/10/49/565771049.db2.gz VCDLHTITRONQCC-HNNXBMFYSA-N 1 0 380.535 2.825 20 0 GFADRO CN(Cc1ccccc1Br)C(=O)C[NH+]1CCC(C2(O)CC2)CC1 ZINC000649676020 565772182 /nfs/dbraw/zinc/77/21/82/565772182.db2.gz QDPDOLRDFMVIJQ-UHFFFAOYSA-N 1 0 381.314 2.644 20 0 GFADRO O=C([C@@H]1CCc2cc(Br)ccc21)N1CCC([NH+]2CCOCC2)CC1 ZINC000628121878 565774822 /nfs/dbraw/zinc/77/48/22/565774822.db2.gz ZPNDUSXHFRKNQL-GOSISDBHSA-N 1 0 393.325 2.802 20 0 GFADRO O=C([C@H]1CCc2cc(Br)ccc21)N1CCC([NH+]2CCOCC2)CC1 ZINC000628121879 565775276 /nfs/dbraw/zinc/77/52/76/565775276.db2.gz ZPNDUSXHFRKNQL-SFHVURJKSA-N 1 0 393.325 2.802 20 0 GFADRO CCS(=O)(=O)N(C)C1CC[NH+](CCc2cccc(C(F)(F)F)c2)CC1 ZINC000628170998 565777773 /nfs/dbraw/zinc/77/77/73/565777773.db2.gz QHMZUAOGTBOTNS-UHFFFAOYSA-N 1 0 378.460 2.994 20 0 GFADRO Fc1cc(Br)cc(OCC[NH+]2CCC(Cn3cnnc3)CC2)c1 ZINC000649784857 565778363 /nfs/dbraw/zinc/77/83/63/565778363.db2.gz LTVZAYRBQRBGHH-UHFFFAOYSA-N 1 0 383.265 2.971 20 0 GFADRO O=C(CC[NH+]1CCC(Cn2cnnc2)CC1)Nc1ccccc1Br ZINC000649786674 565778455 /nfs/dbraw/zinc/77/84/55/565778455.db2.gz UTJVYGQLSBVLQM-UHFFFAOYSA-N 1 0 392.301 2.781 20 0 GFADRO C[C@@H](CO)C1CC[NH+](CC(=O)N(C)Cc2cc(Br)cs2)CC1 ZINC000649802278 565779189 /nfs/dbraw/zinc/77/91/89/565779189.db2.gz JBCTUYAIEYAUTG-LBPRGKRZSA-N 1 0 389.359 2.809 20 0 GFADRO C[C@H](O)C[N@H+](C)Cc1cc(Cl)cc(Cl)c1OCCN1CCOCC1 ZINC000628238227 565780256 /nfs/dbraw/zinc/78/02/56/565780256.db2.gz QMNBUIWGPTVSOQ-ZDUSSCGKSA-N 1 0 377.312 2.517 20 0 GFADRO COC1(CO)CC[NH+](Cc2c[nH]nc2-c2ccc(Br)s2)CC1 ZINC000628253680 565780923 /nfs/dbraw/zinc/78/09/23/565780923.db2.gz RZRMAZSEEFOKGN-UHFFFAOYSA-N 1 0 386.315 2.874 20 0 GFADRO CC(=O)c1cc(Br)ccc1OCC(=O)N(C)CCCC[NH+](C)C ZINC000671732514 565784315 /nfs/dbraw/zinc/78/43/15/565784315.db2.gz RVAHJQPLFULSRW-UHFFFAOYSA-N 1 0 385.302 2.831 20 0 GFADRO CCCN(C)[C@H](C[NH2+]C1CCN(S(C)(=O)=O)CC1)c1ccc(Cl)cc1 ZINC000671764472 565785210 /nfs/dbraw/zinc/78/52/10/565785210.db2.gz MYPCUAQWPBVPGV-GOSISDBHSA-N 1 0 387.977 2.737 20 0 GFADRO C[C@@H]1C[N@H+](C)[C@H](C)[C@@H](C)N1C(=O)CCNC(=O)c1ccc(Br)cc1 ZINC000650145787 565799811 /nfs/dbraw/zinc/79/98/11/565799811.db2.gz QOFXDOOGQBQIOK-MGPQQGTHSA-N 1 0 396.329 2.509 20 0 GFADRO CC1([NH+]2CCCC2)CCN(C(=O)c2ccc(I)cn2)CC1 ZINC000601739243 565800700 /nfs/dbraw/zinc/80/07/00/565800700.db2.gz OECDQLXPVVXWLM-UHFFFAOYSA-N 1 0 399.276 2.777 20 0 GFADRO C[C@H](NC(=O)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1)c1cccc(Cl)c1Cl ZINC000672311101 565802267 /nfs/dbraw/zinc/80/22/67/565802267.db2.gz VTIFFWBFLCJUKW-AAEUAGOBSA-N 1 0 384.307 2.771 20 0 GFADRO C[N@@H+]1CCCC[C@@H](CNC(=O)Cc2cc3c(cc2Br)OCCO3)C1 ZINC000628741885 565804568 /nfs/dbraw/zinc/80/45/68/565804568.db2.gz PPNYWKGYQLDQEM-ZDUSSCGKSA-N 1 0 397.313 2.611 20 0 GFADRO CC1(C)CN(C(=O)N[C@@H]2CCSc3ccc(Cl)cc32)CC[N@@H+]1CCO ZINC000672703039 565815455 /nfs/dbraw/zinc/81/54/55/565815455.db2.gz UKCQMCMKABWWJP-OAHLLOKOSA-N 1 0 383.945 2.975 20 0 GFADRO O=C(NCc1cc(Br)ccn1)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000650371162 565815578 /nfs/dbraw/zinc/81/55/78/565815578.db2.gz QYBWSLZDJMSHQZ-OAHLLOKOSA-N 1 0 389.297 2.768 20 0 GFADRO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+]Cc2ccc(C(=O)OC)n2C)c1 ZINC000602018811 565815741 /nfs/dbraw/zinc/81/57/41/565815741.db2.gz CHLPJNPMNKAIKG-UHFFFAOYSA-N 1 0 384.885 2.549 20 0 GFADRO CNC(=O)c1cccc(NC(=O)N(C)CCCC[NH+](C)C)c1Br ZINC000672835152 565819142 /nfs/dbraw/zinc/81/91/42/565819142.db2.gz OIYVMXRSINUAON-UHFFFAOYSA-N 1 0 385.306 2.614 20 0 GFADRO C[NH+](C)C[C@@H](NC(=O)CCn1cc(Br)cn1)c1ccc(F)cc1 ZINC000673309870 565831408 /nfs/dbraw/zinc/83/14/08/565831408.db2.gz RQTKXCXJLNATKB-OAHLLOKOSA-N 1 0 383.265 2.594 20 0 GFADRO OCC[N@H+](CCOCC(F)(F)F)Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000602341112 565840680 /nfs/dbraw/zinc/84/06/80/565840680.db2.gz VEEKRLRAWBJOMZ-UHFFFAOYSA-N 1 0 383.794 2.875 20 0 GFADRO COc1ccc(NC(=O)Nc2cnn(CC[NH+](C)C)c2)cc1Br ZINC000602377938 565842889 /nfs/dbraw/zinc/84/28/89/565842889.db2.gz CDKPEYCXHSKSAW-UHFFFAOYSA-N 1 0 382.262 2.860 20 0 GFADRO O=C(NCCCC[NH+]1CCOCC1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000651113280 565846846 /nfs/dbraw/zinc/84/68/46/565846846.db2.gz ISAMNZFLCIDGGL-OAHLLOKOSA-N 1 0 397.313 2.544 20 0 GFADRO C[NH2+][C@H]1CCN(C(=O)c2cc(C)c(Cl)cc2I)C1 ZINC000602424282 565847671 /nfs/dbraw/zinc/84/76/71/565847671.db2.gz ITNPZFWYMIHREV-VIFPVBQESA-N 1 0 378.641 2.687 20 0 GFADRO Cc1c(Br)cccc1S(=O)(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000673818610 565847831 /nfs/dbraw/zinc/84/78/31/565847831.db2.gz MPDZZGZDCXKKRN-UHFFFAOYSA-N 1 0 396.310 2.663 20 0 GFADRO Cc1csc(Nc2ccc(NC(=O)C3([S@@](C)=O)CC[NH2+]CC3)cc2)n1 ZINC000602452573 565848637 /nfs/dbraw/zinc/84/86/37/565848637.db2.gz DNZKFADAQYXHMH-RUZDIDTESA-N 1 0 378.523 2.634 20 0 GFADRO CCOC(=O)c1sc2ccsc2c1CNC(=O)[C@@]1(C)C[C@@H](OC)C[NH2+]1 ZINC000602453861 565848642 /nfs/dbraw/zinc/84/86/42/565848642.db2.gz JZMWIMJBGGXVMQ-BMLIUANNSA-N 1 0 382.507 2.523 20 0 GFADRO O=C(CCC1C[NH2+]C1)N1CCC[C@@H]1c1ccccc1I ZINC000602463687 565849590 /nfs/dbraw/zinc/84/95/90/565849590.db2.gz MEVTVMVDHWOZBV-OAHLLOKOSA-N 1 0 384.261 2.954 20 0 GFADRO CN(CCCC[NH+](C)C)C(=O)Cc1cc2c(cc1Br)OCCO2 ZINC000673855595 565850069 /nfs/dbraw/zinc/85/00/69/565850069.db2.gz YVIUEPJJDGMGKB-UHFFFAOYSA-N 1 0 385.302 2.563 20 0 GFADRO CN(C)c1nc(CNC(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)cs1 ZINC000673874186 565851680 /nfs/dbraw/zinc/85/16/80/565851680.db2.gz LVEOQAQSFAAZOV-CQSZACIVSA-N 1 0 379.555 2.907 20 0 GFADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)c1cnc(-c2cccc(Cl)c2)s1 ZINC000651278327 565853367 /nfs/dbraw/zinc/85/33/67/565853367.db2.gz RSMMCHQEXCZCJO-ZDUSSCGKSA-N 1 0 378.929 2.829 20 0 GFADRO CC[NH+]1CCN(CCCNc2ncnc3cc(Br)sc32)CC1 ZINC000651297937 565854070 /nfs/dbraw/zinc/85/40/70/565854070.db2.gz KOXPDMOPDRGWKM-UHFFFAOYSA-N 1 0 384.347 2.893 20 0 GFADRO C[NH+](C)C[C@H](c1ccc(Cl)c(Cl)c1)N1C(=O)[C@@H]2CSCCN2C1=O ZINC000629487992 565856521 /nfs/dbraw/zinc/85/65/21/565856521.db2.gz RJDGYDYNNDGOCQ-KGLIPLIRSA-N 1 0 388.320 2.976 20 0 GFADRO CN(Cc1ccc(Cl)s1)C(=O)CN1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629567726 565858929 /nfs/dbraw/zinc/85/89/29/565858929.db2.gz QJXUDGQZTYLONH-ZYHUDNBSSA-N 1 0 383.867 2.819 20 0 GFADRO CC(C)CC[C@@H](CO)[NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000629591413 565861784 /nfs/dbraw/zinc/86/17/84/565861784.db2.gz IAFVOZOUMKPDHW-LSDHHAIUSA-N 1 0 378.282 2.715 20 0 GFADRO O=S1(=O)CC[C@@](O)(C[NH2+][C@H](Cc2ccccc2Cl)c2ccccc2)C1 ZINC000651391922 565862520 /nfs/dbraw/zinc/86/25/20/565862520.db2.gz KUZOQHZVBHUMHV-RTBURBONSA-N 1 0 379.909 2.763 20 0 GFADRO O=C(N[C@H]1CC[N@H+](CC2CC2)C1)c1cc(=O)[nH]c2c(Br)cccc12 ZINC000674241652 565864905 /nfs/dbraw/zinc/86/49/05/565864905.db2.gz KLNBBPORBPBIHF-LBPRGKRZSA-N 1 0 390.281 2.917 20 0 GFADRO COC[C@H]([NH2+]Cc1ccc(I)s1)C1CCOCC1 ZINC000602708605 565865105 /nfs/dbraw/zinc/86/51/05/565865105.db2.gz QUJKZMHJDLIPKF-LBPRGKRZSA-N 1 0 381.279 2.884 20 0 GFADRO COCCc1ncc(C[N@@H+]2CCC[C@H](c3ncc(C(=O)OC)s3)C2)s1 ZINC000602714107 565865327 /nfs/dbraw/zinc/86/53/27/565865327.db2.gz GFPXPSXUUCVLMU-LBPRGKRZSA-N 1 0 381.523 2.955 20 0 GFADRO CCOC(=O)C1CCC([NH2+]Cc2cnn3cc(Br)cnc23)CC1 ZINC000602752298 565866888 /nfs/dbraw/zinc/86/68/88/565866888.db2.gz REHQQDOIDDFZIT-UHFFFAOYSA-N 1 0 381.274 2.703 20 0 GFADRO COC1CC[NH+](CCNC(=O)c2ccc(Br)cc2Cl)CC1 ZINC000674309987 565867367 /nfs/dbraw/zinc/86/73/67/565867367.db2.gz ODNHXGQEDLLMNI-UHFFFAOYSA-N 1 0 375.694 2.943 20 0 GFADRO O=S(=O)(NC[C@H](c1cccs1)[NH+]1CCCC1)C1Cc2ccccc2C1 ZINC000674339249 565870526 /nfs/dbraw/zinc/87/05/26/565870526.db2.gz CFKYZIVCXBDHGY-GOSISDBHSA-N 1 0 376.547 2.972 20 0 GFADRO Cc1cc(Br)sc1S(=O)(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000651547057 565871303 /nfs/dbraw/zinc/87/13/03/565871303.db2.gz RYOAILULPMJLMF-NSHDSACASA-N 1 0 379.345 2.678 20 0 GFADRO CC(C)N(Cc1cc(Br)ccc1F)C(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000630026840 565879873 /nfs/dbraw/zinc/87/98/73/565879873.db2.gz KAIRFFZOSQUSEY-QGZVFWFLSA-N 1 0 398.320 2.715 20 0 GFADRO O[C@H](C[NH+]1CCC(c2cccc(Br)c2)CC1)CC1(O)CCOCC1 ZINC000630041905 565880393 /nfs/dbraw/zinc/88/03/93/565880393.db2.gz MWMYSGVGQBANOP-SFHVURJKSA-N 1 0 398.341 2.921 20 0 GFADRO O[C@@H](C[N@@H+]1CCC[C@H]1Cc1ccccc1Br)CC1(O)CCOCC1 ZINC000630048976 565880887 /nfs/dbraw/zinc/88/08/87/565880887.db2.gz DMBBHKLANHUDJI-DLBZAZTESA-N 1 0 398.341 2.749 20 0 GFADRO COc1ccc(C[NH2+]CCNS(=O)(=O)c2ccc(Cl)s2)c(F)c1 ZINC000651738926 565890407 /nfs/dbraw/zinc/89/04/07/565890407.db2.gz CBVBYXABRUODML-UHFFFAOYSA-N 1 0 378.878 2.617 20 0 GFADRO CCOC(=O)c1nc(N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)ccc1Br ZINC000603313354 565898293 /nfs/dbraw/zinc/89/82/93/565898293.db2.gz CSPFXTCZRCQRPV-TZMCWYRMSA-N 1 0 382.302 2.941 20 0 GFADRO CC[NH+]1CCN(CCCNC(=O)CCCc2cccc(Br)c2)CC1 ZINC000675440293 565902405 /nfs/dbraw/zinc/90/24/05/565902405.db2.gz MJXZYAUQNOTTIX-UHFFFAOYSA-N 1 0 396.373 2.916 20 0 GFADRO Cc1cc(NC(=O)C(=O)NCCC[N@@H+](C)CC(C)C)ccc1Br ZINC000651904589 565902706 /nfs/dbraw/zinc/90/27/06/565902706.db2.gz DOOAEBFZOQEEDF-UHFFFAOYSA-N 1 0 384.318 2.790 20 0 GFADRO CN(CC[NH+]1CCCCC1)S(=O)(=O)N(C)Cc1c(F)cccc1Cl ZINC000651926814 565905426 /nfs/dbraw/zinc/90/54/26/565905426.db2.gz NBINDQSKNWEBRO-UHFFFAOYSA-N 1 0 377.913 2.573 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH2+]CC[C@]1(O)CCOC1 ZINC000651942266 565906051 /nfs/dbraw/zinc/90/60/51/565906051.db2.gz ATGXJCSWBPCVQZ-SFHVURJKSA-N 1 0 394.313 2.883 20 0 GFADRO O[C@@H](COc1ccc(Cl)c(Cl)c1)CN1CCN(c2cc[nH+]cc2)CC1 ZINC000675509763 565906915 /nfs/dbraw/zinc/90/69/15/565906915.db2.gz BHQHTVVKYXDQSZ-OAHLLOKOSA-N 1 0 382.291 2.950 20 0 GFADRO CS(=O)(=O)N1CCC(Nc2ccc(SCC[NH+]3CCCC3)cc2)CC1 ZINC000651960509 565907408 /nfs/dbraw/zinc/90/74/08/565907408.db2.gz NSRJMFAWMCWLLO-UHFFFAOYSA-N 1 0 383.583 2.710 20 0 GFADRO C[C@@H](NC(=O)NCCC[NH+](C)C)c1nc(-c2ccc(Br)cc2)no1 ZINC000675529337 565908234 /nfs/dbraw/zinc/90/82/34/565908234.db2.gz HQHFBNUZNFJSGO-LLVKDONJSA-N 1 0 396.289 2.811 20 0 GFADRO COc1ccc([C@@H](C[NH+](C)C)NC(=O)c2nscc2Br)cc1 ZINC000652033239 565911992 /nfs/dbraw/zinc/91/19/92/565911992.db2.gz KXOXCXSAMKDKSC-CYBMUJFWSA-N 1 0 384.299 2.947 20 0 GFADRO [NH3+]Cc1ccc(CNC(=O)NCCOc2ncc(Cl)cc2Cl)c(F)c1 ZINC000652170056 565918241 /nfs/dbraw/zinc/91/82/41/565918241.db2.gz ZNWNGBORBICOAB-UHFFFAOYSA-N 1 0 387.242 2.864 20 0 GFADRO C[C@@H](Cc1cccc(Br)c1)NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC000630830866 565921987 /nfs/dbraw/zinc/92/19/87/565921987.db2.gz XKIPOYWTPXGBEL-ZDUSSCGKSA-N 1 0 379.302 2.568 20 0 GFADRO O=C(NCCC1CC[NH2+]CC1)N1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000652311709 565922298 /nfs/dbraw/zinc/92/22/98/565922298.db2.gz WOMCXYDTIJPSIP-KRWDZBQOSA-N 1 0 396.329 2.922 20 0 GFADRO CC[N@@H+]1CCC[C@@H](CNC(=O)c2ccc3cncc(Br)c3n2)C1 ZINC000630853274 565923668 /nfs/dbraw/zinc/92/36/68/565923668.db2.gz HGHHBGSSQZZANW-LBPRGKRZSA-N 1 0 377.286 2.854 20 0 GFADRO CCO[C@@H]1CN(Cc2ncc(-c3cccc(Br)c3)o2)C[C@H]1C[NH3+] ZINC000652356496 565924280 /nfs/dbraw/zinc/92/42/80/565924280.db2.gz NORPJUKGUHLKBP-CZUORRHYSA-N 1 0 380.286 2.900 20 0 GFADRO CCO[C@@H]1CN([C@@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)C[C@H]1C[NH3+] ZINC000652358245 565924402 /nfs/dbraw/zinc/92/44/02/565924402.db2.gz NSGPHBSQCMIQCU-APNQJHFZSA-N 1 0 388.339 2.855 20 0 GFADRO Cc1cc(S(=O)(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)c(F)cc1Br ZINC000652376034 565925543 /nfs/dbraw/zinc/92/55/43/565925543.db2.gz RDCGAOGJEVLPLE-NHYWBVRUSA-N 1 0 391.306 2.646 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(S(=O)(=O)c3ccc(C(F)(F)F)s3)C2)C1 ZINC000652374224 565925597 /nfs/dbraw/zinc/92/55/97/565925597.db2.gz MCOLSJNGWBAUOS-TUAOUCFPSA-N 1 0 398.472 2.674 20 0 GFADRO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCN(S(=O)(=O)Cc3ccc(Cl)c(F)c3)C2)C1 ZINC000652374208 565925687 /nfs/dbraw/zinc/92/56/87/565925687.db2.gz LSTDHKAXJMPXQQ-JJRVBVJISA-N 1 0 390.908 2.527 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(S(=O)(=O)c3ccc(Cl)c(Cl)c3)C2)C1 ZINC000652375714 565925927 /nfs/dbraw/zinc/92/59/27/565925927.db2.gz XYXPYUIFORRAIZ-OZVIIMIRSA-N 1 0 393.336 2.900 20 0 GFADRO Cc1ccc(Br)c(S(=O)(=O)N2CCC[C@@H](C)[C@@H]2CC[NH3+])c1 ZINC000652378113 565926859 /nfs/dbraw/zinc/92/68/59/565926859.db2.gz YRNFTZULRCWXFE-OCCSQVGLSA-N 1 0 375.332 2.896 20 0 GFADRO O=S(=O)(NCCC1CC[NH2+]CC1)c1ccc(Cl)c(Br)c1 ZINC000652384510 565927446 /nfs/dbraw/zinc/92/74/46/565927446.db2.gz BOMGOFCIKCZHTI-UHFFFAOYSA-N 1 0 381.723 2.771 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2S(=O)(=O)C[C@@H]2CCCCC2(F)F)C1 ZINC000652383510 565927466 /nfs/dbraw/zinc/92/74/66/565927466.db2.gz XWTJIQJEJQOKTD-JJXSEGSLSA-N 1 0 380.501 2.503 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2S(=O)(=O)c2cc(Cl)ccc2F)C1 ZINC000652383417 565927590 /nfs/dbraw/zinc/92/75/90/565927590.db2.gz QRWKRFOKKIISFK-YUELXQCFSA-N 1 0 376.881 2.529 20 0 GFADRO Cc1cc(S(=O)(=O)NCCC2CC[NH2+]CC2)c(C)cc1Br ZINC000652385171 565927771 /nfs/dbraw/zinc/92/77/71/565927771.db2.gz KCEJHPJUXNLOFO-UHFFFAOYSA-N 1 0 375.332 2.734 20 0 GFADRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)COc3cc(Cl)ccc3Cl)CC2)C1 ZINC000604352846 565928720 /nfs/dbraw/zinc/92/87/20/565928720.db2.gz WOJVKUWPBPBUGM-OAHLLOKOSA-N 1 0 386.323 2.611 20 0 GFADRO O=S1(=O)CCCN1CCC[NH2+]Cc1ccc(Cl)cc1Br ZINC000676238127 565929498 /nfs/dbraw/zinc/92/94/98/565929498.db2.gz FLNKKXXQXVWKCY-UHFFFAOYSA-N 1 0 381.723 2.618 20 0 GFADRO Cc1cc(S(=O)(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)ccc1Br ZINC000604408047 565929561 /nfs/dbraw/zinc/92/95/61/565929561.db2.gz ZKJLMYYGBBBBLY-CYBMUJFWSA-N 1 0 375.332 2.720 20 0 GFADRO C[NH+](C)CCN(CC(=O)OC(C)(C)C)C(=O)c1ccccc1Br ZINC000604562949 565932416 /nfs/dbraw/zinc/93/24/16/565932416.db2.gz WNGUSSCAEKFARX-UHFFFAOYSA-N 1 0 385.302 2.795 20 0 GFADRO O=C(Cc1cc(F)ccc1Br)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000676370276 565933775 /nfs/dbraw/zinc/93/37/75/565933775.db2.gz BYLLETQITOKPAO-MRXNPFEDSA-N 1 0 399.304 2.844 20 0 GFADRO COc1cc(Cl)c(C[NH2+]C[C@]2(N3CCOCC3)CCSC2)cc1OC ZINC000631048950 565934751 /nfs/dbraw/zinc/93/47/51/565934751.db2.gz BPCRLCZTCBULNT-GOSISDBHSA-N 1 0 386.945 2.655 20 0 GFADRO CCO[C@@H]1CN(C(=O)Nc2ccc(Cl)cc2OCC(F)F)C[C@H]1C[NH3+] ZINC000652606029 565935726 /nfs/dbraw/zinc/93/57/26/565935726.db2.gz BTICQSNWLLTODV-QMTHXVAHSA-N 1 0 377.819 2.811 20 0 GFADRO C[NH+](C)CC[C@H](NC(=O)c1ccc(Cl)c(NS(C)(=O)=O)c1)C(C)(C)C ZINC000604752143 565936755 /nfs/dbraw/zinc/93/67/55/565936755.db2.gz QRWKGYCPIMTOQJ-HNNXBMFYSA-N 1 0 389.949 2.808 20 0 GFADRO NS(=O)(=O)c1cc(C[NH2+][C@H](c2ccccc2)[C@H]2CCCO2)ccc1Cl ZINC000631055302 565937062 /nfs/dbraw/zinc/93/70/62/565937062.db2.gz OFNSDWQOJDMRDB-SJLPKXTDSA-N 1 0 380.897 2.997 20 0 GFADRO NS(=O)(=O)c1cc(C[NH2+][C@H]2CCCN(c3ccccc3)C2)ccc1Cl ZINC000631074146 565938192 /nfs/dbraw/zinc/93/81/92/565938192.db2.gz SMHJZWFVMHWYED-HNNXBMFYSA-N 1 0 379.913 2.746 20 0 GFADRO CC(=O)Nc1cccc(C[NH2+]C[C@@H](O)COc2ccccc2Br)c1 ZINC000631089350 565939662 /nfs/dbraw/zinc/93/96/62/565939662.db2.gz ATIUOTUUPTXMBO-MRXNPFEDSA-N 1 0 393.281 2.937 20 0 GFADRO C[C@@H](C[NH2+]Cc1cn(C[C@@H]2CCOC2)nn1)Oc1cccc(Br)c1 ZINC000631082233 565939681 /nfs/dbraw/zinc/93/96/81/565939681.db2.gz BSHLYGPXFUJPLL-KBPBESRZSA-N 1 0 395.301 2.634 20 0 GFADRO C[C@H](O)C[C@H](C[NH2+]Cc1ccc(Cl)c(S(N)(=O)=O)c1)c1ccccc1 ZINC000631092178 565940127 /nfs/dbraw/zinc/94/01/27/565940127.db2.gz YVSDJYKAUPDHLF-XJKSGUPXSA-N 1 0 382.913 2.632 20 0 GFADRO CO[C@@H](c1ccccc1F)[C@@H](C)[NH2+]Cc1ccc(Cl)c(S(N)(=O)=O)c1 ZINC000631107444 565941874 /nfs/dbraw/zinc/94/18/74/565941874.db2.gz ADZFAYGVSFUHEE-PIGZYNQJSA-N 1 0 386.876 2.992 20 0 GFADRO Cc1nc2cc(Br)cc(NC(=O)N[C@H](C)[C@H]3CN(C)CCO3)c2o1 ZINC000652940317 565947806 /nfs/dbraw/zinc/94/78/06/565947806.db2.gz LVYWVCTZQYADIR-YMTOWFKASA-N 1 0 397.273 2.739 20 0 GFADRO O=C(NC[C@@H]1CCN(c2ccc(Br)cc2)C1)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653112133 565955155 /nfs/dbraw/zinc/95/51/55/565955155.db2.gz NBLXJGIHBRSJJJ-KKXDTOCCSA-N 1 0 392.341 2.922 20 0 GFADRO COc1ccc(Br)cc1C(=O)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000653186579 565957227 /nfs/dbraw/zinc/95/72/27/565957227.db2.gz MHGIECJSFGLXNW-JDFRZJQESA-N 1 0 397.313 2.816 20 0 GFADRO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCN(C(=O)COc3cccc(Br)c3)C2)C1 ZINC000653191571 565958336 /nfs/dbraw/zinc/95/83/36/565958336.db2.gz YAXFKXDMABYQQC-YSVLISHTSA-N 1 0 397.313 2.573 20 0 GFADRO C[NH2+]Cc1ccccc1CNC(=O)[C@H]1COc2ccc(Br)cc21 ZINC000653214899 565959375 /nfs/dbraw/zinc/95/93/75/565959375.db2.gz GXTXWVGAEMYDPG-INIZCTEOSA-N 1 0 375.266 2.961 20 0 GFADRO C[C@@H]1CCCN(C(=O)Cc2cc3c(cc2Br)OCCO3)[C@H]1CC[NH3+] ZINC000653240272 565959743 /nfs/dbraw/zinc/95/97/43/565959743.db2.gz MAZXCFOXZKXPTA-DOMZBBRYSA-N 1 0 397.313 2.739 20 0 GFADRO CCO[C@@H]1CN(C(=O)c2cc3cc(Br)cc(C)c3o2)C[C@H]1C[NH3+] ZINC000653248147 565960103 /nfs/dbraw/zinc/96/01/03/565960103.db2.gz FTLAUORPORXHFY-IUODEOHRSA-N 1 0 381.270 2.940 20 0 GFADRO CCO[C@@H]1CN(C(=O)c2cc(C)c(Br)c(Cl)c2)C[C@H]1C[NH3+] ZINC000653248167 565960465 /nfs/dbraw/zinc/96/04/65/565960465.db2.gz GJYGAIQHYADDME-DGCLKSJQSA-N 1 0 375.694 2.847 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2C(=O)Cc2cccc(Br)c2)C1 ZINC000653266078 565960677 /nfs/dbraw/zinc/96/06/77/565960677.db2.gz XFCYQWHYNFDBCR-ZACQAIPSSA-N 1 0 381.314 2.879 20 0 GFADRO CN1CC[C@@H]([NH+]2CCC(NC(=O)Nc3cc(Cl)cc(Cl)c3)CC2)C1=O ZINC000631529376 565961127 /nfs/dbraw/zinc/96/11/27/565961127.db2.gz JEOVOSUDNVAKKO-OAHLLOKOSA-N 1 0 385.295 2.810 20 0 GFADRO COCC[N@@H+]1CCC[C@@H](NC(=O)Cc2c[nH]c3cccc(Br)c23)C1 ZINC000677143886 565961360 /nfs/dbraw/zinc/96/13/60/565961360.db2.gz XIKRCJGFCRYFAI-CQSZACIVSA-N 1 0 394.313 2.700 20 0 GFADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc(Br)c3nccn3c2)C1 ZINC000631550622 565961986 /nfs/dbraw/zinc/96/19/86/565961986.db2.gz BURXAMMYHNNITJ-ZDUSSCGKSA-N 1 0 379.302 2.901 20 0 GFADRO C[C@H]([NH2+][C@H](CCO)c1ccc(Cl)c(F)c1)c1ccc(S(N)(=O)=O)cc1 ZINC000631660418 565966605 /nfs/dbraw/zinc/96/66/05/565966605.db2.gz PJCCJUOSPOZHCK-APPDUMDISA-N 1 0 386.876 2.901 20 0 GFADRO CNS(=O)(=O)CCC[NH2+][C@@H]1CCSc2ccc(Br)cc21 ZINC000631710626 565968503 /nfs/dbraw/zinc/96/85/03/565968503.db2.gz PKNHYFHHYVNJSM-GFCCVEGCSA-N 1 0 379.345 2.515 20 0 GFADRO COCC[N@@H+]1CC[C@@H](NC(=O)NC(C)(C)c2ccc(Br)cc2)C1 ZINC000606644352 565968640 /nfs/dbraw/zinc/96/86/40/565968640.db2.gz ILDKGXHITLXKMF-OAHLLOKOSA-N 1 0 384.318 2.704 20 0 GFADRO O=S(=O)(CCC[NH+]1CCCC1)NCc1ccc(OCC(F)(F)F)cc1 ZINC000631702082 565968620 /nfs/dbraw/zinc/96/86/20/565968620.db2.gz MFKRTLAXPKAJNC-UHFFFAOYSA-N 1 0 380.432 2.533 20 0 GFADRO CN(CCCC[NH+](C)C)C(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000607036730 565976612 /nfs/dbraw/zinc/97/66/12/565976612.db2.gz PZLSZXMIHFXDBL-AWEZNQCLSA-N 1 0 396.329 2.602 20 0 GFADRO O[C@@H](COc1ccc(Cl)c(Cl)c1)C[N@@H+]1CCC[C@@H](N2CCOCC2)C1 ZINC000653718002 565979105 /nfs/dbraw/zinc/97/91/05/565979105.db2.gz XJXIFHGMHKVBEI-HUUCEWRRSA-N 1 0 389.323 2.530 20 0 GFADRO O[C@H](COc1ccc(Cl)c(Cl)c1)C[N@@H+]1CCC[C@@H](N2CCOCC2)C1 ZINC000653718000 565979190 /nfs/dbraw/zinc/97/91/90/565979190.db2.gz XJXIFHGMHKVBEI-CABCVRRESA-N 1 0 389.323 2.530 20 0 GFADRO O=C(CCN1CCC[C@H]2C[NH2+]CC[C@@H]21)Nc1ccc(Br)cc1F ZINC000631887413 565981002 /nfs/dbraw/zinc/98/10/02/565981002.db2.gz NIVXFKIWWDCORU-LRDDRELGSA-N 1 0 384.293 2.991 20 0 GFADRO C[C@H](c1cccc(C(F)(F)F)c1)N(C)S(=O)(=O)N(C)C1CC[NH2+]CC1 ZINC000631915264 565983230 /nfs/dbraw/zinc/98/32/30/565983230.db2.gz HUAQVSAORFFBLH-GFCCVEGCSA-N 1 0 379.448 2.627 20 0 GFADRO C[C@H](c1cccs1)N(Cc1ccccc1)S(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000631916048 565983460 /nfs/dbraw/zinc/98/34/60/565983460.db2.gz RZETZGWGJPJVQM-NVXWUHKLSA-N 1 0 380.535 2.630 20 0 GFADRO Cc1cc(Cl)c(Br)cc1S(=O)(=O)N1CC[C@@H]([NH3+])C[C@H]1C ZINC000631949075 565985407 /nfs/dbraw/zinc/98/54/07/565985407.db2.gz XFQBRXBACRFOAX-NXEZZACHSA-N 1 0 381.723 2.911 20 0 GFADRO C[C@H]1C[C@@H](NC(=O)c2cc(=O)[nH]c3ccc(Br)cc32)CC[N@@H+]1C ZINC000607689116 565988063 /nfs/dbraw/zinc/98/80/63/565988063.db2.gz KPBJACLKQXPJOK-JQWIXIFHSA-N 1 0 378.270 2.915 20 0 GFADRO C[C@H]1C[C@@H](N(C)S(=O)(=O)c2c[nH]c(=O)s2)CC[N@@H+]1Cc1ccccc1 ZINC000631997045 565990053 /nfs/dbraw/zinc/99/00/53/565990053.db2.gz QGANUEKPJAXNPU-ZFWWWQNUSA-N 1 0 381.523 2.522 20 0 GFADRO C[C@@H](C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1)c1ccc(Br)cc1 ZINC000678007352 565993215 /nfs/dbraw/zinc/99/32/15/565993215.db2.gz WANGQCITKHBFAT-PBHICJAKSA-N 1 0 394.357 2.837 20 0 GFADRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)c2cc(=O)[nH]c3c(Br)cccc23)C1 ZINC000654066234 565995207 /nfs/dbraw/zinc/99/52/07/565995207.db2.gz PHDDXRAJKZNMHR-PHIMTYICSA-N 1 0 378.270 2.773 20 0 GFADRO C[C@H](C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1)c1ccc(Br)cc1 ZINC000678048641 565996356 /nfs/dbraw/zinc/99/63/56/565996356.db2.gz XYLAJROVOKNCSC-SUMWQHHRSA-N 1 0 381.314 2.922 20 0 GFADRO O=C(Nc1nc2cc(Br)ccn2n1)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000654107334 565998264 /nfs/dbraw/zinc/99/82/64/565998264.db2.gz ZJQMQMLDMBHQFF-CHWSQXEVSA-N 1 0 393.289 2.630 20 0 GFADRO O=C1C[C@H]([NH2+]Cc2ccc(Br)cn2)CN1CCOc1ccccc1 ZINC000608059206 566000793 /nfs/dbraw/zinc/00/07/93/566000793.db2.gz BZJADNLFONPGEL-INIZCTEOSA-N 1 0 390.281 2.614 20 0 GFADRO Cc1cc(C(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c(C)cc1Br ZINC000678142927 566001066 /nfs/dbraw/zinc/00/10/66/566001066.db2.gz FBVJKHGSPMRXTK-IAGOWNOFSA-N 1 0 381.314 2.737 20 0 GFADRO O=C(Nc1ccc(F)c(Br)c1)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000608336062 566011313 /nfs/dbraw/zinc/01/13/13/566011313.db2.gz LLIAXKRWZQUNIV-HUUCEWRRSA-N 1 0 386.265 2.651 20 0 GFADRO CCC(CC)[C@@H](CNS(=O)(=O)Cc1ncsc1Br)[NH+](C)C ZINC000632253724 566014409 /nfs/dbraw/zinc/01/44/09/566014409.db2.gz ADHWQBCEXIVRNW-GFCCVEGCSA-N 1 0 398.392 2.691 20 0 GFADRO CCC(C)(C)[NH+]1CCN(C(=O)NCCCn2cc(Br)cn2)CC1 ZINC000654564967 566014731 /nfs/dbraw/zinc/01/47/31/566014731.db2.gz DXODMHBZNFPWFN-UHFFFAOYSA-N 1 0 386.338 2.552 20 0 GFADRO Cc1c(Br)cccc1CNC(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000654642487 566017136 /nfs/dbraw/zinc/01/71/36/566017136.db2.gz CSEPWGZCDCQIML-OAHLLOKOSA-N 1 0 396.329 2.621 20 0 GFADRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)N2CCN(c3cccc(Br)c3)CC2)C1 ZINC000654665464 566018183 /nfs/dbraw/zinc/01/81/83/566018183.db2.gz JCEQAZQCPOJYJU-KDYLLFBJSA-N 1 0 395.345 2.621 20 0 GFADRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)CCc2c(Cl)cccc2Cl)C1 ZINC000654697969 566019767 /nfs/dbraw/zinc/01/97/67/566019767.db2.gz JNFHQSVMUACFKB-CYBMUJFWSA-N 1 0 386.323 2.630 20 0 GFADRO CSc1cc(Br)ccc1C(=O)NC[C@H](C)N1CC[NH+](C)CC1 ZINC000654783220 566022938 /nfs/dbraw/zinc/02/29/38/566022938.db2.gz AABKDWMFNUUIKB-LBPRGKRZSA-N 1 0 386.359 2.537 20 0 GFADRO CC(C)c1cc(Br)ccc1NC(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000654888223 566028565 /nfs/dbraw/zinc/02/85/65/566028565.db2.gz CMFBBJCCXBGFAJ-XBXGTLAGSA-N 1 0 396.329 2.967 20 0 GFADRO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3cc(Br)ccc32)C(=O)N1c1cnn(C)c1 ZINC000679067288 566029340 /nfs/dbraw/zinc/02/93/40/566029340.db2.gz RHVCJBXAKFELNN-SSKCKEOISA-N 1 0 389.297 2.954 20 0 GFADRO CCN(C1CC[NH+](C)CC1)S(=O)(=O)Cc1ccc(OC(F)(F)F)cc1 ZINC000632407787 566029656 /nfs/dbraw/zinc/02/96/56/566029656.db2.gz GRJOWLHHHWZBHA-UHFFFAOYSA-N 1 0 380.432 2.831 20 0 GFADRO O=C(Nc1ccc(F)cc1Br)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000654945273 566031897 /nfs/dbraw/zinc/03/18/97/566031897.db2.gz AGBUXPJMUYXXQS-GJZGRUSLSA-N 1 0 398.276 2.660 20 0 GFADRO O=C(Nc1cc(Br)ccc1F)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000654947048 566032132 /nfs/dbraw/zinc/03/21/32/566032132.db2.gz OLNMTMOPVLAJIT-DZGCQCFKSA-N 1 0 398.276 2.660 20 0 GFADRO Cc1cc(Br)cn2cc(CCNC(=O)c3cnn(C(F)F)c3)nc12 ZINC000632440330 566033636 /nfs/dbraw/zinc/03/36/36/566033636.db2.gz ZKJOVZLAXZELOY-UHFFFAOYSA-N 1 0 398.211 2.969 20 0 GFADRO CO[C@H](C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1)c1ccccc1Br ZINC000655030035 566036421 /nfs/dbraw/zinc/03/64/21/566036421.db2.gz BYQVPUDLQNHMSP-PBHICJAKSA-N 1 0 399.329 2.754 20 0 GFADRO Cc1ccc(I)c(C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)c1 ZINC000609382600 566037730 /nfs/dbraw/zinc/03/77/30/566037730.db2.gz COOZFIJTQWCCRS-ZDUSSCGKSA-N 1 0 384.261 2.814 20 0 GFADRO O=S1(=O)CC[C@H](C[NH2+][C@@H](c2ccc(Br)cc2)[C@H]2CCCO2)C1 ZINC000679330748 566038163 /nfs/dbraw/zinc/03/81/63/566038163.db2.gz QSIZKQSFTBJDBZ-WQVCFCJDSA-N 1 0 388.327 2.694 20 0 GFADRO C[N@H+](CCCOc1cccc(I)c1)CCn1cccn1 ZINC000609540944 566043358 /nfs/dbraw/zinc/04/33/58/566043358.db2.gz ZJBNDYKJJNEBHB-UHFFFAOYSA-N 1 0 385.249 2.889 20 0 GFADRO COC(=O)[C@H]1CC12CC[NH+](Cc1cc3c(cc1Br)OCO3)CC2 ZINC000609617519 566048208 /nfs/dbraw/zinc/04/82/08/566048208.db2.gz UFRXZQJHJNCEBE-GFCCVEGCSA-N 1 0 382.254 2.953 20 0 GFADRO CCC(C)(C)[NH+]1CCN(C(=O)CNC(=O)c2ccc(Br)cc2)CC1 ZINC000655274361 566049807 /nfs/dbraw/zinc/04/98/07/566049807.db2.gz CRDQFFGNJPEQFS-UHFFFAOYSA-N 1 0 396.329 2.512 20 0 GFADRO CCC1([NH+](C)C)CCN(S(=O)(=O)c2ccc(NC(C)=O)c(Cl)c2)CC1 ZINC000632658946 566055681 /nfs/dbraw/zinc/05/56/81/566055681.db2.gz OJJFFXYGLQYAFY-UHFFFAOYSA-N 1 0 387.933 2.793 20 0 GFADRO COCCOc1ccc(Br)cc1NC(=O)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000655468286 566058765 /nfs/dbraw/zinc/05/87/65/566058765.db2.gz YWYOJAIUYYCHCZ-SUMWQHHRSA-N 1 0 383.286 2.803 20 0 GFADRO CC[NH+]1CCC(CNS(=O)(=O)Cc2cccc(Br)c2C)CC1 ZINC000655483757 566059457 /nfs/dbraw/zinc/05/94/57/566059457.db2.gz LHKOXBWWHQSVCF-UHFFFAOYSA-N 1 0 389.359 2.909 20 0 GFADRO Cc1c(Br)cccc1CS(=O)(=O)NCCC1CC[NH+](C)CC1 ZINC000655494319 566059596 /nfs/dbraw/zinc/05/95/96/566059596.db2.gz IIGAZQYPNKOQDD-UHFFFAOYSA-N 1 0 389.359 2.909 20 0 GFADRO CCO[C@@H]1C[C@]([NH3+])(C(=O)N2CCOc3cccc(Br)c3C2)C1(C)C ZINC000655502984 566061292 /nfs/dbraw/zinc/06/12/92/566061292.db2.gz ACADHVDVKOETTD-QAPCUYQASA-N 1 0 397.313 2.703 20 0 GFADRO O=C(CCc1cc(F)ccc1Br)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000680143691 566064705 /nfs/dbraw/zinc/06/47/05/566064705.db2.gz SZGPYKLWBPHDJR-IRXDYDNUSA-N 1 0 399.304 2.578 20 0 GFADRO C[NH+](C)C[C@]1(O)CCCN(C(=O)[C@@H]2C[C@@]2(C)c2cccc(Br)c2)C1 ZINC000632773456 566067207 /nfs/dbraw/zinc/06/72/07/566067207.db2.gz OZPPJEAQSMOAOZ-YTQUADARSA-N 1 0 395.341 2.642 20 0 GFADRO NS(=O)(=O)CCC[NH2+][C@H](CC(F)(F)F)c1ccc(Br)cc1 ZINC000680433804 566071166 /nfs/dbraw/zinc/07/11/66/566071166.db2.gz ZEOYDIRDWLUJGF-LLVKDONJSA-N 1 0 389.237 2.711 20 0 GFADRO CN(C)c1ncc(Br)cc1C(=O)N1C[C@@H](C[NH3+])Cc2ccccc21 ZINC000632870030 566071837 /nfs/dbraw/zinc/07/18/37/566071837.db2.gz XZSYKEBJMOZPEM-GFCCVEGCSA-N 1 0 389.297 2.688 20 0 GFADRO Cn1nc2cc(Br)ccc2c1C(=O)N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000632865887 566072026 /nfs/dbraw/zinc/07/20/26/566072026.db2.gz WYXWSSQXJBVXCD-XHDPSFHLSA-N 1 0 377.286 2.550 20 0 GFADRO CC1(C)C[NH2+]CC[C@H](NC(=O)Nc2ccc(NS(C)(=O)=O)c(Cl)c2)C1 ZINC000632934321 566075132 /nfs/dbraw/zinc/07/51/32/566075132.db2.gz QJTAOEKPSXFULM-LBPRGKRZSA-N 1 0 388.921 2.611 20 0 GFADRO CC[C@@H](O)CCC[NH2+]Cc1cc(I)c(OC)c(OC)c1 ZINC000610271005 566075697 /nfs/dbraw/zinc/07/56/97/566075697.db2.gz ASCODODRZSIXLW-GFCCVEGCSA-N 1 0 393.265 2.949 20 0 GFADRO CC(C)Oc1cc(NC(=O)NC[C@@H]2C[NH2+]CCCO2)ccc1Br ZINC000632961906 566077707 /nfs/dbraw/zinc/07/77/07/566077707.db2.gz VXAUOQMEPIBACC-ZDUSSCGKSA-N 1 0 386.290 2.736 20 0 GFADRO C[N@@H+]1CCC[C@@H](N2CCN(Cc3ccc(I)cc3)CC2)C1 ZINC000610391240 566079715 /nfs/dbraw/zinc/07/97/15/566079715.db2.gz LTWOOCJXBYHWCW-QGZVFWFLSA-N 1 0 399.320 2.503 20 0 GFADRO Cc1cc(NC(=O)C(=O)N[C@H]2CC[NH2+]CC(C)(C)C2)cc(C)c1Br ZINC000633044723 566080290 /nfs/dbraw/zinc/08/02/90/566080290.db2.gz BKLXBBYDLZCIOD-ZDUSSCGKSA-N 1 0 396.329 2.899 20 0 GFADRO Cc1nn(-c2cccc(Br)c2)cc1C[NH2+][C@H]1CCC(=O)N(C)C1 ZINC000655741129 566085943 /nfs/dbraw/zinc/08/59/43/566085943.db2.gz FRJPQJANHDZFBU-HNNXBMFYSA-N 1 0 377.286 2.654 20 0 GFADRO Cc1nn(-c2ccccc2Br)cc1C[NH2+]C[C@H](CO)[C@@H]1CCOC1 ZINC000655768348 566088238 /nfs/dbraw/zinc/08/82/38/566088238.db2.gz WLMWYMCYTJJQPR-GDBMZVCRSA-N 1 0 394.313 2.678 20 0 GFADRO CO[C@](C)(CO)C[NH2+]Cc1c(C)nn(-c2ccc(Br)cc2)c1C ZINC000655808927 566089907 /nfs/dbraw/zinc/08/99/07/566089907.db2.gz LYOALCSPKRDOIF-KRWDZBQOSA-N 1 0 382.302 2.739 20 0 GFADRO Cc1cc(N2CCC[C@@H]([N@H+](C)C[C@@H](O)C3CC3)C2=O)ccc1Br ZINC000680984282 566090017 /nfs/dbraw/zinc/09/00/17/566090017.db2.gz DWJGKJYNTKSWBX-IAGOWNOFSA-N 1 0 381.314 2.956 20 0 GFADRO C[C@@H]1Cc2ccc(Br)cc2CN1C(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000655919424 566095360 /nfs/dbraw/zinc/09/53/60/566095360.db2.gz BGKCODXCUNABNA-PELKAZGASA-N 1 0 380.208 2.795 20 0 GFADRO Cc1ccsc1-c1nsc(NC(=O)Nc2cnn(CC[NH+](C)C)c2)n1 ZINC000681180796 566096962 /nfs/dbraw/zinc/09/69/62/566096962.db2.gz GYAHCCPJMDELLK-UHFFFAOYSA-N 1 0 377.499 2.977 20 0 GFADRO C[NH+](C)CCn1cc(C(=O)N2CC[C@@H](c3cccc(Br)c3)C2)cn1 ZINC000633314283 566097358 /nfs/dbraw/zinc/09/73/58/566097358.db2.gz TWXLZNPMCOFRFP-OAHLLOKOSA-N 1 0 391.313 2.837 20 0 GFADRO Cc1c(Br)cccc1CS(=O)(=O)NCC1([NH3+])CCCCC1 ZINC000655949185 566097629 /nfs/dbraw/zinc/09/76/29/566097629.db2.gz OYNZFVKTOOCSSX-UHFFFAOYSA-N 1 0 375.332 2.839 20 0 GFADRO CCCN([C@H]1CC[NH2+]C1)S(=O)(=O)Cc1cccc(Br)c1C ZINC000655951822 566099092 /nfs/dbraw/zinc/09/90/92/566099092.db2.gz YTHWCOHSJNSEQD-AWEZNQCLSA-N 1 0 375.332 2.661 20 0 GFADRO C[C@H]([NH2+]CCOC[C@@H]1CCOC1)c1ccccc1I ZINC000610815096 566101219 /nfs/dbraw/zinc/10/12/19/566101219.db2.gz PZHLQCGSMJJQFS-QWHCGFSZSA-N 1 0 375.250 2.995 20 0 GFADRO O=S1(=O)CC[C@H]([NH2+]C2CCN(CC(F)(F)F)CC2)c2cc(F)ccc21 ZINC000681392732 566104889 /nfs/dbraw/zinc/10/48/89/566104889.db2.gz QLQNCMXFKPYMCK-AWEZNQCLSA-N 1 0 380.407 2.661 20 0 GFADRO C[C@@H](C[NH2+]CCC(=O)Nc1cccc(Br)c1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656153649 566106571 /nfs/dbraw/zinc/10/65/71/566106571.db2.gz ZDBDBFSEYUWOLX-SOUVJXGZSA-N 1 0 398.345 2.865 20 0 GFADRO O=C(c1oc2ccccc2c1Br)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000633648187 566112146 /nfs/dbraw/zinc/11/21/46/566112146.db2.gz CFDMWRVXFWNVMQ-ZDUSSCGKSA-N 1 0 393.281 2.867 20 0 GFADRO CC(=O)N(c1nc(CN[C@H](C[NH3+])C(F)(F)F)cs1)c1ccc(F)cc1 ZINC000656195082 566112782 /nfs/dbraw/zinc/11/27/82/566112782.db2.gz UEYUBALZNXZXPC-CYBMUJFWSA-N 1 0 376.379 2.946 20 0 GFADRO O=C(CNC(=O)C1CC[NH+]([C@H]2CCSC2)CC1)c1cc(Cl)ccc1F ZINC000633710176 566114219 /nfs/dbraw/zinc/11/42/19/566114219.db2.gz PTGXOSRKNAGJFL-AWEZNQCLSA-N 1 0 384.904 2.996 20 0 GFADRO CC[N@H+](CCOCCO)Cc1cn(-c2cccc(Br)c2)nc1C ZINC000656259542 566119475 /nfs/dbraw/zinc/11/94/75/566119475.db2.gz KZZCRTNNRUAPNK-UHFFFAOYSA-N 1 0 382.302 2.774 20 0 GFADRO COC[C@H]1C[C@@H](O)C[N@@H+]1Cc1cn(-c2ccccc2Br)nc1C ZINC000656264664 566120333 /nfs/dbraw/zinc/12/03/33/566120333.db2.gz PADGYHBFXZZZHJ-HUUCEWRRSA-N 1 0 380.286 2.525 20 0 GFADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)NCc3nc4c(cccc4Br)[nH]3)[C@H]2C1 ZINC000656275826 566121932 /nfs/dbraw/zinc/12/19/32/566121932.db2.gz WBLFEBMXGCIMPO-RISCZKNCSA-N 1 0 392.301 2.561 20 0 GFADRO COC1CC[NH+](CCNC(=O)NCc2ccc(Br)c(C)c2)CC1 ZINC000656326655 566124436 /nfs/dbraw/zinc/12/44/36/566124436.db2.gz VUEHEUFNORWUAP-UHFFFAOYSA-N 1 0 384.318 2.668 20 0 GFADRO CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000656360159 566125437 /nfs/dbraw/zinc/12/54/37/566125437.db2.gz RWKQBRUWJVGEKB-CABCVRRESA-N 1 0 383.945 2.883 20 0 GFADRO C[C@@H]1C[C@@H](N(C)C(=O)c2cnc3ncc(Br)cc3c2)CC[N@@H+]1C ZINC000682000669 566137326 /nfs/dbraw/zinc/13/73/26/566137326.db2.gz DSZDLACJIVJFJD-ABAIWWIYSA-N 1 0 377.286 2.947 20 0 GFADRO CC(C)[NH2+][C@H]1CCCN(C(=O)c2cnc3ncc(Br)cc3c2)C1 ZINC000682031614 566140134 /nfs/dbraw/zinc/14/01/34/566140134.db2.gz NOPCANJDGWENPC-HNNXBMFYSA-N 1 0 377.286 2.995 20 0 GFADRO C[NH+](C)[C@@]1(CNC(=O)c2nn(C(C)(C)C)cc2Br)CCSC1 ZINC000611927989 566145243 /nfs/dbraw/zinc/14/52/43/566145243.db2.gz GOHXALLPBVERNC-OAHLLOKOSA-N 1 0 389.363 2.568 20 0 GFADRO Cc1ccc(NC(=O)C(=O)N2CCC[C@@H]([NH2+]C(C)C)C2)c(Br)c1 ZINC000682352339 566150010 /nfs/dbraw/zinc/15/00/10/566150010.db2.gz KHWIPIYDRUOILF-CYBMUJFWSA-N 1 0 382.302 2.685 20 0 GFADRO Cc1c(Br)cncc1C(=O)NCCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000612057108 566150150 /nfs/dbraw/zinc/15/01/50/566150150.db2.gz OZKCPYZYESZEBW-CHWSQXEVSA-N 1 0 384.318 2.772 20 0 GFADRO CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NCCCc2c(Cl)cccc2Cl)C1 ZINC000612037881 566150205 /nfs/dbraw/zinc/15/02/05/566150205.db2.gz AXATVCGVTVXQAB-CYBMUJFWSA-N 1 0 386.323 2.643 20 0 GFADRO CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)Nc2c(F)cccc2Br)C1 ZINC000682353153 566150993 /nfs/dbraw/zinc/15/09/93/566150993.db2.gz UMHLJNNSINABRP-NSHDSACASA-N 1 0 386.265 2.516 20 0 GFADRO COC[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1Br)C1CCOCC1 ZINC000656678916 566154991 /nfs/dbraw/zinc/15/49/91/566154991.db2.gz NAFOWYNOKPMRQO-BLLLJJGKSA-N 1 0 385.302 2.807 20 0 GFADRO COC1CC(CC[NH2+]C[C@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000656701750 566155515 /nfs/dbraw/zinc/15/55/15/566155515.db2.gz BMHDHENBJPUDOL-WPBUFGDCSA-N 1 0 376.266 2.733 20 0 GFADRO COCC[N@@H+]1CCCN(C(=O)Cc2ccc(Br)c(Cl)c2)CC1 ZINC000682476880 566156032 /nfs/dbraw/zinc/15/60/32/566156032.db2.gz NGJSNMLMPVVUGO-UHFFFAOYSA-N 1 0 389.721 2.826 20 0 GFADRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)[C@@H]1CCO[C@H]1c1cncc(Br)c1 ZINC000612303914 566157748 /nfs/dbraw/zinc/15/77/48/566157748.db2.gz KGISEDCMENCMDZ-JKEMJCCQSA-N 1 0 394.313 2.521 20 0 GFADRO CN(C)c1cc[nH+]c(NC(=O)COc2ccc(I)cc2)c1 ZINC000612346131 566158955 /nfs/dbraw/zinc/15/89/55/566158955.db2.gz ILODYJPSUGSTSJ-UHFFFAOYSA-N 1 0 397.216 2.770 20 0 GFADRO CC(C)(CO)[NH+]1CCN(C(=O)Cc2ccc(Br)c(Cl)c2)CC1 ZINC000682517220 566160216 /nfs/dbraw/zinc/16/02/16/566160216.db2.gz SBALFYBFORUGPP-UHFFFAOYSA-N 1 0 389.721 2.560 20 0 GFADRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2cc(Br)cc3c2OCCO3)C1 ZINC000612649378 566168297 /nfs/dbraw/zinc/16/82/97/566168297.db2.gz LGGYRKBUJHNCNC-DOMZBBRYSA-N 1 0 395.297 2.777 20 0 GFADRO CCN(CCC[NH+](CC)CC)S(=O)(=O)c1ccc([C@H](C)NC(C)=O)s1 ZINC000682725959 566168356 /nfs/dbraw/zinc/16/83/56/566168356.db2.gz JQWJRSVNOYFVNR-AWEZNQCLSA-N 1 0 389.587 2.688 20 0 GFADRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2nn(C(C)(C)C)cc2Br)C1 ZINC000612647675 566168388 /nfs/dbraw/zinc/16/83/88/566168388.db2.gz CNYZFELMDBXJEA-OCCSQVGLSA-N 1 0 383.334 2.957 20 0 GFADRO CN(C1CC[NH+](C)CC1)S(=O)(=O)c1cc(Cl)cc(Br)c1 ZINC000656859132 566169282 /nfs/dbraw/zinc/16/92/82/566169282.db2.gz MOJVGDFYLFAWAC-UHFFFAOYSA-N 1 0 381.723 2.817 20 0 GFADRO C[C@](O)(C[C@@H](O)C[NH2+]CCC(=O)Nc1cc(Cl)cc(Cl)c1)C1CC1 ZINC000634714741 566171851 /nfs/dbraw/zinc/17/18/51/566171851.db2.gz QFWBBQNBYQQSNT-WBVHZDCISA-N 1 0 375.296 2.824 20 0 GFADRO C[N@H+](CCCNS(=O)(=O)c1ncccc1Br)C1CCCCC1 ZINC000656872203 566172333 /nfs/dbraw/zinc/17/23/33/566172333.db2.gz ZLPDYDZYSJDZBZ-UHFFFAOYSA-N 1 0 390.347 2.777 20 0 GFADRO O=C(NCC1(c2cccc(Br)c2)CC1)N[C@H]1CC12CC[NH2+]CC2 ZINC000612973202 566180670 /nfs/dbraw/zinc/18/06/70/566180670.db2.gz YIYBZXMULLWUBI-HNNXBMFYSA-N 1 0 378.314 2.922 20 0 GFADRO O=C1CC[C@H]([NH2+]CC2(c3ccc(Br)cc3)CCOCC2)CCN1 ZINC000634958204 566185649 /nfs/dbraw/zinc/18/56/49/566185649.db2.gz JIGCKFITEWTNJJ-INIZCTEOSA-N 1 0 381.314 2.756 20 0 GFADRO O=S1(=O)CCC[C@H]([NH2+]C2CCN(c3nc4ccccc4s3)CC2)CC1 ZINC000634956411 566185817 /nfs/dbraw/zinc/18/58/17/566185817.db2.gz IGSZIPLMYDQBBP-AWEZNQCLSA-N 1 0 379.551 2.822 20 0 GFADRO C[C@H](C[NH2+][C@H]1CCCS(=O)(=O)CC1)Oc1ccc(Br)cc1 ZINC000634965366 566185867 /nfs/dbraw/zinc/18/58/67/566185867.db2.gz IYSUUXUEESFQFE-OCCSQVGLSA-N 1 0 376.316 2.773 20 0 GFADRO O=S1(=O)CCC[C@H]([NH2+][C@@H]2CCN(c3ccc(Br)cc3)C2)CC1 ZINC000634959458 566186046 /nfs/dbraw/zinc/18/60/46/566186046.db2.gz RNKMWRDJBYWTBB-LSDHHAIUSA-N 1 0 387.343 2.585 20 0 GFADRO C[NH+](C)C[C@@H]1CCCN1S(=O)(=O)c1cc(Cl)cc(Br)c1 ZINC000656935898 566188052 /nfs/dbraw/zinc/18/80/52/566188052.db2.gz UPUVXFOJWJJSMG-LBPRGKRZSA-N 1 0 381.723 2.817 20 0 GFADRO C[N@@H+]1CC[C@@H](CC(=O)N2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)C1 ZINC000635279170 566203822 /nfs/dbraw/zinc/20/38/22/566203822.db2.gz MSZRZVLZMVVMOC-ZDUSSCGKSA-N 1 0 384.307 2.620 20 0 GFADRO CC1(C)CCC[N@@H+]1CCNS(=O)(=O)Cc1cc(F)ccc1Br ZINC000657007683 566204247 /nfs/dbraw/zinc/20/42/47/566204247.db2.gz KTSJZDFGPDLEQU-UHFFFAOYSA-N 1 0 393.322 2.882 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@H](CNS(=O)(=O)Cc2ccc(Br)cc2)C1 ZINC000657032576 566209428 /nfs/dbraw/zinc/20/94/28/566209428.db2.gz BLBQFBQZGCCPJF-CQSZACIVSA-N 1 0 389.359 2.989 20 0 GFADRO CN1CCC2(CC[NH+](C[C@@H](O)COc3c(Cl)cccc3Cl)CC2)C1=O ZINC000683675160 566209509 /nfs/dbraw/zinc/20/95/09/566209509.db2.gz SVWZROHXSIZYNO-CYBMUJFWSA-N 1 0 387.307 2.677 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@@H]1CNS(=O)(=O)Cc1ccccc1Br ZINC000657036055 566210627 /nfs/dbraw/zinc/21/06/27/566210627.db2.gz YBHUOSBTFZKOBI-CYBMUJFWSA-N 1 0 375.332 2.741 20 0 GFADRO O=S(=O)(NCC1CC[NH+](C2CCOCC2)CC1)c1sccc1Cl ZINC000657041931 566211788 /nfs/dbraw/zinc/21/17/88/566211788.db2.gz KLMGIGIWZYKZNK-UHFFFAOYSA-N 1 0 378.947 2.571 20 0 GFADRO COc1ccc(Br)cc1S(=O)(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000657057088 566214346 /nfs/dbraw/zinc/21/43/46/566214346.db2.gz CWCCGRWRTHMWCI-GFCCVEGCSA-N 1 0 391.331 2.609 20 0 GFADRO C[C@@H](CN(C)CCC[NH+](C)C)NS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000657072003 566217639 /nfs/dbraw/zinc/21/76/39/566217639.db2.gz LYSMPVVOOSFGCP-LBPRGKRZSA-N 1 0 382.357 2.544 20 0 GFADRO C[C@H](C(=O)N1CCC[C@@](O)(C[NH+](C)C)C1)c1ccc(Br)s1 ZINC000683911817 566218799 /nfs/dbraw/zinc/21/87/99/566218799.db2.gz IABKVFFCLSJNAY-XHDPSFHLSA-N 1 0 375.332 2.529 20 0 GFADRO C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC000635611869 566221247 /nfs/dbraw/zinc/22/12/47/566221247.db2.gz BXOLKZPPOMEOTB-HOTGVXAUSA-N 1 0 394.357 2.996 20 0 GFADRO C[C@@H]1CN(CC[N@H+](C)C[C@@H](O)COc2ccc(Cl)c(Cl)c2)C[C@H](C)O1 ZINC000684003524 566222807 /nfs/dbraw/zinc/22/28/07/566222807.db2.gz LUCJBMFADSSIFI-QLFBSQMISA-N 1 0 391.339 2.774 20 0 GFADRO Cc1c(Br)ccc(NC(=O)C(=O)N(C)CCCC[NH+](C)C)c1F ZINC000684026283 566222891 /nfs/dbraw/zinc/22/28/91/566222891.db2.gz UNRFBBOQALBTDC-UHFFFAOYSA-N 1 0 388.281 2.635 20 0 GFADRO Cc1nc(CS(=O)(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)cs1 ZINC000684098802 566225767 /nfs/dbraw/zinc/22/57/67/566225767.db2.gz SIJGUMRWFMVLMU-QGZVFWFLSA-N 1 0 379.551 2.783 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)N1CCOc2c(Br)cccc2C1 ZINC000684253516 566231162 /nfs/dbraw/zinc/23/11/62/566231162.db2.gz AUIQPNAOUKSMCW-HZPDHXFCSA-N 1 0 394.313 2.980 20 0 GFADRO O=C(N[C@@H](CO)c1ccc(Br)cc1)NC1CC([NH+]2CCCCC2)C1 ZINC000684418338 566235736 /nfs/dbraw/zinc/23/57/36/566235736.db2.gz VEGXSPJKMBZVHA-JCYILVPMSA-N 1 0 396.329 2.799 20 0 GFADRO C[C@@H](N[C@H]1CC[N@H+](CC2CC2)C1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000684553751 566237954 /nfs/dbraw/zinc/23/79/54/566237954.db2.gz UHFOEOVXOJNXBY-PWSUYJOCSA-N 1 0 392.352 2.776 20 0 GFADRO C[C@](O)(CO)C[NH2+]Cc1ccc(OCc2ccccc2)c(Br)c1 ZINC000684536417 566238072 /nfs/dbraw/zinc/23/80/72/566238072.db2.gz DNSZLBOESINAAW-GOSISDBHSA-N 1 0 380.282 2.861 20 0 GFADRO CS(=O)(=O)C1(C[NH2+][C@@H](c2ccc(Br)cc2)[C@H]2CCCO2)CC1 ZINC000684557992 566238692 /nfs/dbraw/zinc/23/86/92/566238692.db2.gz SQXJNSUTFOBPKJ-CABCVRRESA-N 1 0 388.327 2.836 20 0 GFADRO Cn1cc([C@@H]2NC(=O)CC[C@H]2[NH2+]Cc2ccc(OCc3ccncc3)cc2)cn1 ZINC000275363009 570691075 /nfs/dbraw/zinc/69/10/75/570691075.db2.gz BHIUIAJMZCXMLS-IRLDBZIGSA-N 1 0 391.475 2.504 20 0 GFADRO Cn1cc([C@@H]2NC(=O)CC[C@H]2[NH2+]Cc2ccc(Br)cc2Cl)cn1 ZINC000275702720 570698356 /nfs/dbraw/zinc/69/83/56/570698356.db2.gz XSTPRWMANWNIJL-ZBFHGGJFSA-N 1 0 397.704 2.946 20 0 GFADRO CCC[N@H+](CCc1cccc(F)c1)C[C@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000736478544 598833056 /nfs/dbraw/zinc/83/30/56/598833056.db2.gz CXQUKECQFMGOMP-IBGZPJMESA-N 1 0 399.470 2.700 20 0 GFADRO O=C(CC[N@H+]1CCc2c(Cl)cccc2C1)Nc1cccc(-c2nn[nH]n2)c1 ZINC000737846210 598865599 /nfs/dbraw/zinc/86/55/99/598865599.db2.gz HKOBWDHQAUIDKH-UHFFFAOYSA-N 1 0 382.855 2.907 20 0 GFADRO C[C@@H](NC(=O)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)C1CCCC1 ZINC000736115133 598878206 /nfs/dbraw/zinc/87/82/06/598878206.db2.gz XGHQAQNENDHISB-MRXNPFEDSA-N 1 0 397.527 2.663 20 0 GFADRO C[C@H](NC1(C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)CCOCC1)c1ccccc1 ZINC000736132439 598887107 /nfs/dbraw/zinc/88/71/07/598887107.db2.gz ODEMTKJROMESIY-KRWDZBQOSA-N 1 0 392.507 2.856 20 0 GFADRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)c1sccc1-c1nn[nH]n1 ZINC000736286329 598943369 /nfs/dbraw/zinc/94/33/69/598943369.db2.gz BQNQFDWXWOJMLB-CQSZACIVSA-N 1 0 382.493 2.665 20 0 GFADRO C[NH+](C)[C@H](CNc1c2ccccc2nnc1-c1nn[nH]n1)c1ccc(F)cc1 ZINC000736759256 598960102 /nfs/dbraw/zinc/96/01/02/598960102.db2.gz LDAJRNXYCWQRFN-MRXNPFEDSA-N 1 0 378.415 2.664 20 0 GFADRO CC1CC[NH+](C[C@@H]2CCCN(c3c4ccccc4nnc3-c3nn[nH]n3)C2)CC1 ZINC000736275975 598962774 /nfs/dbraw/zinc/96/27/74/598962774.db2.gz LTIKHRIHPCJRLW-INIZCTEOSA-N 1 0 392.511 2.758 20 0 GFADRO CC1CCC([NH+]2CCN(c3c4ccccc4nnc3-c3nn[nH]n3)CC2)CC1 ZINC000736240799 598969198 /nfs/dbraw/zinc/96/91/98/598969198.db2.gz LRROHTAXCONQJY-UHFFFAOYSA-N 1 0 378.484 2.511 20 0 GFADRO COc1cc(-c2nn[nH]n2)ccc1OCC[N@@H+]1CCCO[C@H](c2ccccc2)C1 ZINC000737033355 598986337 /nfs/dbraw/zinc/98/63/37/598986337.db2.gz UHJVEHSGAAIAET-FQEVSTJZSA-N 1 0 395.463 2.718 20 0 GFADRO COc1ccc2c(c1)CCC[N@@H+](CCOc1ccc(-c3nn[nH]n3)cc1OC)C2 ZINC000737119677 598986511 /nfs/dbraw/zinc/98/65/11/598986511.db2.gz RZUWBFZIDVZWQQ-UHFFFAOYSA-N 1 0 395.463 2.711 20 0 GFADRO CCS[C@H]1CCCC[N@H+](CCOc2ccc(-c3nn[nH]n3)cc2OC)C1 ZINC000736665523 598987287 /nfs/dbraw/zinc/98/72/87/598987287.db2.gz PBRZUUSORLAYBP-HNNXBMFYSA-N 1 0 377.514 2.862 20 0 GFADRO CCC[N@H+](CCC(=O)Nc1ccc(-c2nn[nH]n2)cc1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000736472722 598989645 /nfs/dbraw/zinc/98/96/45/598989645.db2.gz XKDWFPNGCXUNIB-QRQLOZEOSA-N 1 0 398.511 2.721 20 0 GFADRO C[C@@H]1C[N@H+](Cc2ccc(F)cc2-c2nn[nH]n2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000736289212 598989692 /nfs/dbraw/zinc/98/96/92/598989692.db2.gz KWKQLUMJOJSSMY-WBMJQRKESA-N 1 0 390.463 2.741 20 0 GFADRO CC(C)[C@@H](C(=O)OCCCOc1ccc(-c2nn[nH]n2)cc1)[NH+]1CCCCC1 ZINC000735692752 599016480 /nfs/dbraw/zinc/01/64/80/599016480.db2.gz UEKHXSSAUBUBQH-SFHVURJKSA-N 1 0 387.484 2.689 20 0 GFADRO O=C(CC[N@@H+]1CCSC[C@H]1c1ccccc1)Nc1ccccc1-c1nn[nH]n1 ZINC000737845864 599080773 /nfs/dbraw/zinc/08/07/73/599080773.db2.gz AJLAOAAVHQBQTN-SFHVURJKSA-N 1 0 394.504 2.985 20 0 GFADRO CN(C)c1cccc(C[N@@H+]2CCCN(c3ccccc3-c3nn[nH]n3)CC2)c1 ZINC000736781231 599123588 /nfs/dbraw/zinc/12/35/88/599123588.db2.gz WTYXTAIXWXTZQT-UHFFFAOYSA-N 1 0 377.496 2.645 20 0 GFADRO Cc1cccc(OCC[N@@H+](C)CCC(=O)Nc2sccc2-c2nn[nH]n2)c1 ZINC000737411644 599152057 /nfs/dbraw/zinc/15/20/57/599152057.db2.gz NNTDVOLWQNVQHR-UHFFFAOYSA-N 1 0 386.481 2.576 20 0 GFADRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736205783 599162183 /nfs/dbraw/zinc/16/21/83/599162183.db2.gz ZCVZQDDJAVWREZ-OAHLLOKOSA-N 1 0 376.464 2.822 20 0 GFADRO C[C@@](CO)([NH2+]Cc1cccc(-c2nn[nH]n2)c1)c1cccc(C(F)(F)F)c1 ZINC000736038513 599176058 /nfs/dbraw/zinc/17/60/58/599176058.db2.gz VQWFXSLYIBRKKA-KRWDZBQOSA-N 1 0 377.370 2.883 20 0 GFADRO C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)C=Cc2ccccc2-c2nn[nH]n2)C1 ZINC000821614827 599193783 /nfs/dbraw/zinc/19/37/83/599193783.db2.gz WKHRAWVMNUAQSE-CVTTXWKISA-N 1 0 388.475 2.613 20 0 GFADRO CC[NH+](CC)[C@@H]1CCN(C(=S)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)C1 ZINC000821181706 599230573 /nfs/dbraw/zinc/23/05/73/599230573.db2.gz OVPJKPODICYSKD-GFCCVEGCSA-N 1 0 379.921 2.633 20 0 GFADRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000821596946 599245691 /nfs/dbraw/zinc/24/56/91/599245691.db2.gz YXZAFMLKVOHGDM-QGZVFWFLSA-N 1 0 391.479 2.853 20 0 GFADRO C[C@H](NC(=O)Nc1cccc(OCC[NH+](C)C)c1)c1cccc(-c2nn[nH]n2)c1 ZINC000820379549 599253815 /nfs/dbraw/zinc/25/38/15/599253815.db2.gz CXQISBOZTKLBKT-AWEZNQCLSA-N 1 0 395.467 2.690 20 0 GFADRO Cc1c(NC(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)cccc1-c1nn[nH]n1 ZINC000822091895 607284909 /nfs/dbraw/zinc/28/49/09/607284909.db2.gz USUYNTRKFOLIIB-KRWDZBQOSA-N 1 0 391.479 2.961 20 0 GFADRO C[NH+](C)CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)/C=C/C1CCCCC1 ZINC000736766571 599259716 /nfs/dbraw/zinc/25/97/16/599259716.db2.gz CEHORMFRMYKMGT-VAWYXSNFSA-N 1 0 382.512 2.893 20 0 GFADRO C[C@H](CNc1c(-c2nn[nH]n2)cnc2ccccc21)[N@@H+]1CCc2ccccc2C1 ZINC000736026702 599269420 /nfs/dbraw/zinc/26/94/20/599269420.db2.gz QBDZIZMUODKEKZ-OAHLLOKOSA-N 1 0 385.475 2.696 20 0 GFADRO C[C@@H](NC(=O)CCCCOc1cccc(-c2nn[nH]n2)c1)C(C)(C)C[NH+](C)C ZINC000736097689 599278234 /nfs/dbraw/zinc/27/82/34/599278234.db2.gz COGZENPAUHBRMK-OAHLLOKOSA-N 1 0 388.516 2.508 20 0 GFADRO CC[NH+](CC)[C@H](C)CNC(=O)Nc1ccc(-c2nn[nH]n2)c(C(F)(F)F)c1 ZINC000821180354 599291867 /nfs/dbraw/zinc/29/18/67/599291867.db2.gz BTMDNCRKILBGLM-SNVBAGLBSA-N 1 0 385.394 2.737 20 0 GFADRO C[C@@H](CNc1ccc(-c2nn[nH]n2)cc1F)[NH+]1CCN(c2ccccc2)CC1 ZINC000736025173 598237813 /nfs/dbraw/zinc/23/78/13/598237813.db2.gz DWVJANMQNCSAEN-HNNXBMFYSA-N 1 0 381.459 2.628 20 0 GFADRO CC(C)(C)[C@H]1CCC[N@@H+]1CC(=O)Nc1c(-c2nn[nH]n2)cnn1-c1ccccc1 ZINC000735597597 598246977 /nfs/dbraw/zinc/24/69/77/598246977.db2.gz QGTKSXZZXASBIS-MRXNPFEDSA-N 1 0 394.483 2.501 20 0 GFADRO CC(C)(C)[C@@H]1CCC[N@@H+]1CC(=O)Nc1c(-c2nn[nH]n2)cnn1-c1ccccc1 ZINC000735597596 598247287 /nfs/dbraw/zinc/24/72/87/598247287.db2.gz QGTKSXZZXASBIS-INIZCTEOSA-N 1 0 394.483 2.501 20 0 GFADRO O[C@@H](C[NH2+][C@@H](c1ccccc1)C1CCC1)COc1ccc(-c2nn[nH]n2)cc1 ZINC000738382988 598248432 /nfs/dbraw/zinc/24/84/32/598248432.db2.gz UONFPFGGXSYXHG-ICSRJNTNSA-N 1 0 379.464 2.737 20 0 GFADRO O=C(CC[N@H+]1CC[C@@H](c2cccc(F)c2)C1)Nc1cccc(-c2nn[nH]n2)c1 ZINC000737839895 598252626 /nfs/dbraw/zinc/25/26/26/598252626.db2.gz WLFMTXMENMHQGW-MRXNPFEDSA-N 1 0 380.427 2.824 20 0 GFADRO Cc1ccccc1[C@H]1CC[N@@H+]([C@@H]2CCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)C1 ZINC000737425191 598255440 /nfs/dbraw/zinc/25/54/40/598255440.db2.gz ZZEHXVPAZSIOJX-FXAWDEMLSA-N 1 0 388.475 2.770 20 0 GFADRO CC(C)N(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000735881196 598270286 /nfs/dbraw/zinc/27/02/86/598270286.db2.gz GUDKCUKLTQBSNR-GOSISDBHSA-N 1 0 399.543 2.907 20 0 GFADRO C[C@H]([NH2+]Cc1cccc(-c2nn[nH]n2)c1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000736133179 598274754 /nfs/dbraw/zinc/27/47/54/598274754.db2.gz FWGDZAMRVHPXDY-YOEHRIQHSA-N 1 0 386.500 2.992 20 0 GFADRO CC(C)(C)n1cc(-c2nn[nH]n2)cc1NC(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000735661597 598279548 /nfs/dbraw/zinc/27/95/48/598279548.db2.gz VJQAOADHOIJURS-OAHLLOKOSA-N 1 0 386.504 2.515 20 0 GFADRO Fc1cc(-c2nn[nH]n2)ccc1C[NH2+]Cc1ccc(OC[C@H]2CCCO2)cc1 ZINC000737638271 598314908 /nfs/dbraw/zinc/31/49/08/598314908.db2.gz FLYSPVQKNOOVOS-GOSISDBHSA-N 1 0 383.427 2.853 20 0 GFADRO CC(C)C[C@@H](CNC(=S)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)[NH+](C)C ZINC000735773216 598319283 /nfs/dbraw/zinc/31/92/83/598319283.db2.gz WOQXXYSPBUPQLQ-LBPRGKRZSA-N 1 0 381.937 2.783 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1CCNC(=S)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000736267921 598320426 /nfs/dbraw/zinc/32/04/26/598320426.db2.gz QPPQWQLVGVZKAQ-LLVKDONJSA-N 1 0 379.921 2.681 20 0 GFADRO CCC[N@@H+]1CC[C@H](CNC(=S)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)C1 ZINC000736479844 598322232 /nfs/dbraw/zinc/32/22/32/598322232.db2.gz JPBFDAAHEIQZQE-LLVKDONJSA-N 1 0 379.921 2.538 20 0 GFADRO CC(=O)Nc1ccc(C[NH2+]CCSCc2ccccc2-c2nn[nH]n2)cc1 ZINC000735484074 598360214 /nfs/dbraw/zinc/36/02/14/598360214.db2.gz FTRJWNQBRCNNCP-UHFFFAOYSA-N 1 0 382.493 2.848 20 0 GFADRO Cc1ccccc1C[N@@H+]1CCCN(c2ncc(-c3nn[nH]n3)cc2Cl)CC1 ZINC000737427272 598389335 /nfs/dbraw/zinc/38/93/35/598389335.db2.gz BWMZXEIMHSLLMM-UHFFFAOYSA-N 1 0 383.887 2.936 20 0 GFADRO O[C@@H](c1ccccc1)[C@H]1CCCC[N@@H+]1CCOc1ccccc1-c1nn[nH]n1 ZINC000738387263 598396303 /nfs/dbraw/zinc/39/63/03/598396303.db2.gz OZMVDVKYZUPBMK-QUCCMNQESA-N 1 0 379.464 2.834 20 0 GFADRO C[C@@H](NC(=O)OC(C)(C)C)C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736115292 598405691 /nfs/dbraw/zinc/40/56/91/598405691.db2.gz HAAIJFOOCRPCLK-CQSZACIVSA-N 1 0 386.500 2.992 20 0 GFADRO CC(C)C[C@H](C[NH+](C)C)NC(=O)N(Cc1ccc(-c2nn[nH]n2)cc1)C(C)C ZINC000735761127 598427196 /nfs/dbraw/zinc/42/71/96/598427196.db2.gz LCYFCEDZYWQEIS-GOSISDBHSA-N 1 0 387.532 2.763 20 0 GFADRO COCC[N@H+](CCCOc1ccc(F)cc1)Cc1ccccc1-c1nn[nH]n1 ZINC000736995675 598470699 /nfs/dbraw/zinc/47/06/99/598470699.db2.gz WSMTVZRFGWRVSU-UHFFFAOYSA-N 1 0 385.443 2.923 20 0 GFADRO CC1(C)CC(NC(=O)N(Cc2ccc(-c3nn[nH]n3)cc2)C2CC2)CC(C)(C)[NH2+]1 ZINC000736212406 598475671 /nfs/dbraw/zinc/47/56/71/598475671.db2.gz XULLHBPYDJARRL-UHFFFAOYSA-N 1 0 397.527 2.850 20 0 GFADRO COc1ccc(C2([NH2+]Cc3ccc(-c4nn[nH]n4)cc3F)CCOCC2)cc1 ZINC000737076835 598486917 /nfs/dbraw/zinc/48/69/17/598486917.db2.gz QQNKWNCVQMEPEX-UHFFFAOYSA-N 1 0 383.427 2.810 20 0 GFADRO O[C@H](c1ccc(F)cc1)C1CC[NH+](CCOc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000738383850 598508010 /nfs/dbraw/zinc/50/80/10/598508010.db2.gz CBPOJBPBQFQVDS-HXUWFJFHSA-N 1 0 397.454 2.830 20 0 GFADRO CCc1ccc([C@H]([NH2+]C[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)C(C)C)cc1 ZINC000736686506 598519081 /nfs/dbraw/zinc/51/90/81/598519081.db2.gz OSVWVWYUKJHEBG-MAUKXSAKSA-N 1 0 380.500 2.654 20 0 GFADRO CC(C)[C@H]([NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1ccc(Cl)cc1 ZINC000735732509 598519494 /nfs/dbraw/zinc/51/94/94/598519494.db2.gz AJEBFZLJAGLDIR-LRDDRELGSA-N 1 0 386.891 2.745 20 0 GFADRO CCSc1ccc([C@@H](C)[NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)cc1 ZINC000736667516 598529178 /nfs/dbraw/zinc/52/91/78/598529178.db2.gz SFEUCIGRVLIHEL-CHWSQXEVSA-N 1 0 384.513 2.568 20 0 GFADRO CN(C)[C@@H](C[NH2+]Cc1cccc(OCc2ccccc2-c2nn[nH]n2)c1)C1CC1 ZINC000736760944 598562040 /nfs/dbraw/zinc/56/20/40/598562040.db2.gz RVQXLWSSLVDHGP-NRFANRHFSA-N 1 0 392.507 2.876 20 0 GFADRO C[N@@H+]1CCC[C@H](NC(=O)Nc2ccc(Oc3cccc(-c4nn[nH]n4)c3)cc2)C1 ZINC000736857610 598565869 /nfs/dbraw/zinc/56/58/69/598565869.db2.gz OZJOWKFDBCREOV-INIZCTEOSA-N 1 0 393.451 2.875 20 0 GFADRO CC(C)[N@H+](C)CC(=O)Nc1ccc(OCc2cccc(-c3nn[nH]n3)c2)c(F)c1 ZINC000735857282 598600200 /nfs/dbraw/zinc/60/02/00/598600200.db2.gz RTLDDDBLEVQQHS-UHFFFAOYSA-N 1 0 398.442 2.864 20 0 GFADRO c1cc(OCC[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCO3)cc(-c2nn[nH]n2)c1 ZINC000738418423 598614673 /nfs/dbraw/zinc/61/46/73/598614673.db2.gz HHGJPSCLCWCCMS-QGZVFWFLSA-N 1 0 379.420 2.811 20 0 GFADRO CC[NH+](CC)[C@H](CNC(=O)Nc1ccc(F)c(-c2nn[nH]n2)c1)c1ccco1 ZINC000736533421 598627546 /nfs/dbraw/zinc/62/75/46/598627546.db2.gz GNARTOLAKRYMJK-OAHLLOKOSA-N 1 0 387.419 2.803 20 0 GFADRO CCCCN(C(=O)c1ccc(-c2nn[nH]n2)cn1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000736450660 598687749 /nfs/dbraw/zinc/68/77/49/598687749.db2.gz BNGJBVLFBSROSY-UHFFFAOYSA-N 1 0 385.516 2.813 20 0 GFADRO C[C@H]([NH2+][C@H]1CCN(c2ccccc2Cl)C1=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000736135842 598712519 /nfs/dbraw/zinc/71/25/19/598712519.db2.gz YTRDGDMGTDZTKG-LRDDRELGSA-N 1 0 382.855 2.976 20 0 GFADRO C[C@@](O)(C[NH2+]Cc1cccc(OCc2cccc(-c3nn[nH]n3)c2)c1)C1CC1 ZINC000736143217 598757302 /nfs/dbraw/zinc/75/73/02/598757302.db2.gz SEWQNULLYCCKIB-OAQYLSRUSA-N 1 0 379.464 2.696 20 0 GFADRO O[C@H](C[NH+]1CCC(Oc2ccc(-c3nn[nH]n3)cc2)CC1)c1ccccc1F ZINC000738379749 598766020 /nfs/dbraw/zinc/76/60/20/598766020.db2.gz CGTZBYUDZZMFLG-LJQANCHMSA-N 1 0 383.427 2.583 20 0 GFADRO CC[C@@H](C)[C@@H](O)C[NH2+]Cc1cccc(OCc2cccc(-c3nn[nH]n3)c2)c1 ZINC000736328313 598778391 /nfs/dbraw/zinc/77/83/91/598778391.db2.gz HDPGLXTUPPTRDK-QRWLVFNGSA-N 1 0 381.480 2.942 20 0 GFADRO C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000736236733 598811496 /nfs/dbraw/zinc/81/14/96/598811496.db2.gz MFNRWPRNLAKBQW-YOEHRIQHSA-N 1 0 376.464 2.620 20 0 GFADRO O=C(Nc1ccc(-c2nn[nH]n2)c(C(F)(F)F)c1)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000823303026 599295666 /nfs/dbraw/zinc/29/56/66/599295666.db2.gz CEVCMKUJYVYLCJ-NWDGAFQWSA-N 1 0 395.389 2.634 20 0 GFADRO COc1ccc(F)cc1CN1CC[NH+]([C@H](C)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000737100296 599308121 /nfs/dbraw/zinc/30/81/21/599308121.db2.gz WAILNSPVGYQWNY-OAHLLOKOSA-N 1 0 396.470 2.893 20 0 GFADRO COc1ccccc1CN1CC[NH+]([C@@H](C)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000737149382 599315411 /nfs/dbraw/zinc/31/54/11/599315411.db2.gz HVSFGCHQNNCTQP-INIZCTEOSA-N 1 0 378.480 2.754 20 0 GFADRO Cc1ccc(N2CCC[C@H]([N@@H+](C)[C@H](C)c3ccc(-c4nn[nH]n4)cc3)C2)nn1 ZINC000737351665 599317533 /nfs/dbraw/zinc/31/75/33/599317533.db2.gz MQUFAWKGRFKNRS-QAPCUYQASA-N 1 0 378.484 2.627 20 0 GFADRO C[C@@H]([NH2+]Cc1ccc(CN2CCOCC2)cc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000820433320 599363070 /nfs/dbraw/zinc/36/30/70/599363070.db2.gz XPRAHGOIXMIMHS-MRXNPFEDSA-N 1 0 378.480 2.550 20 0 GFADRO C[C@H]([NH2+][C@H]1CCCN(c2cccc(F)c2)C1=O)c1cccc(-c2nn[nH]n2)c1 ZINC000820410314 599389591 /nfs/dbraw/zinc/38/95/91/599389591.db2.gz DEFNARRDDJZSBL-UGSOOPFHSA-N 1 0 380.427 2.852 20 0 GFADRO C[C@@H]([NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1)C(=O)NCc1ccc(Cl)cc1 ZINC000820414306 599391822 /nfs/dbraw/zinc/39/18/22/599391822.db2.gz XQKUMJOIWHFVLD-QWHCGFSZSA-N 1 0 384.871 2.876 20 0 GFADRO Cc1cccn2c(C[NH2+]CCSCc3ccccc3-c3nn[nH]n3)cnc12 ZINC000822366288 599397327 /nfs/dbraw/zinc/39/73/27/599397327.db2.gz GSMUKIIZJXBOID-UHFFFAOYSA-N 1 0 379.493 2.846 20 0 GFADRO CC(C)[C@@H](CNC(=O)N[C@H](C)c1cccc(-c2nn[nH]n2)c1)[NH+]1CCC(C)CC1 ZINC000820722942 599409839 /nfs/dbraw/zinc/40/98/39/599409839.db2.gz RVUGGBBTSSIDEC-VQIMIIECSA-N 1 0 399.543 2.983 20 0 GFADRO COc1ccc(C[NH2+]CCc2ccccc2Br)cc1-c1nn[nH]n1 ZINC000821813638 599422306 /nfs/dbraw/zinc/42/23/06/599422306.db2.gz JRKQEWFWYSRFHI-UHFFFAOYSA-N 1 0 388.269 2.970 20 0 GFADRO CCN(CC)C(=O)C1([NH2+]Cc2ccc(OC)c(-c3nn[nH]n3)c2)CCCCC1 ZINC000821169850 599425392 /nfs/dbraw/zinc/42/53/92/599425392.db2.gz GQXIBFQQKPTCHU-UHFFFAOYSA-N 1 0 386.500 2.536 20 0 GFADRO COc1ccc(C[NH2+][C@@H](C)c2cc(OC)c(OC)cc2F)cc1-c1nn[nH]n1 ZINC000821719917 599439270 /nfs/dbraw/zinc/43/92/70/599439270.db2.gz JLCCXJCOUNGXLR-NSHDSACASA-N 1 0 387.415 2.882 20 0 GFADRO C[C@H]([NH2+]Cc1cccc(OCc2ccccc2-c2nn[nH]n2)c1)[C@H]1CCOC1 ZINC000820438806 599449101 /nfs/dbraw/zinc/44/91/01/599449101.db2.gz WVEJNQYDJFVTEO-RDJZCZTQSA-N 1 0 379.464 2.960 20 0 GFADRO O[C@@H]1CCC[C@@H]1C[NH2+]Cc1cccc(OCc2ccccc2-c2nn[nH]n2)c1 ZINC000823697376 599459316 /nfs/dbraw/zinc/45/93/16/599459316.db2.gz KIKXJOUBHZQGRY-OXQOHEQNSA-N 1 0 379.464 2.696 20 0 GFADRO c1ccc2c(c1)ncc(-c1nn[nH]n1)c2NCC1([NH+]2CCSCC2)CCCC1 ZINC000823798257 599475627 /nfs/dbraw/zinc/47/56/27/599475627.db2.gz VXYGSPHFCDFBDJ-UHFFFAOYSA-N 1 0 395.536 2.610 20 0 GFADRO CCN(CC)[C@@H](C[NH2+]Cc1cnc2ccc(-c3nn[nH]n3)cn12)c1ccsc1 ZINC000736535556 599485236 /nfs/dbraw/zinc/48/52/36/599485236.db2.gz YSSZXLLDLHQBHU-KRWDZBQOSA-N 1 0 396.524 2.749 20 0 GFADRO c1nc2ccc(-c3nn[nH]n3)cn2c1C[NH2+]CCCCOCCc1ccccc1 ZINC000738432564 599485721 /nfs/dbraw/zinc/48/57/21/599485721.db2.gz JDJPMMVAUNCLNS-UHFFFAOYSA-N 1 0 391.479 2.644 20 0 GFADRO Brc1ccc(C[NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)cc1 ZINC000735368183 599486084 /nfs/dbraw/zinc/48/60/84/599486084.db2.gz HEDXCORHQXKZAT-UHFFFAOYSA-N 1 0 384.241 2.567 20 0 GFADRO COCCC[NH+]1CCC(Nc2ccc(-c3nn[nH]n3)cc2C(F)(F)F)CC1 ZINC000736980935 599524894 /nfs/dbraw/zinc/52/48/94/599524894.db2.gz HUSALZAGSBRAEW-UHFFFAOYSA-N 1 0 384.406 2.798 20 0 GFADRO CCOCC[N@@H+]1CCN(c2c(-c3nn[nH]n3)cnc3c(C)cccc32)C[C@H]1CC ZINC000821378390 599533851 /nfs/dbraw/zinc/53/38/51/599533851.db2.gz MWNSEIZCKUPUQG-MRXNPFEDSA-N 1 0 395.511 2.660 20 0 GFADRO C[C@H](C(=O)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)c1cccs1 ZINC000735521194 599560891 /nfs/dbraw/zinc/56/08/91/599560891.db2.gz TVXQCWSHIGZHES-HNNXBMFYSA-N 1 0 396.520 2.766 20 0 GFADRO O=C(NCCC[NH+]1CCCC1)c1cccc(Nc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000738065913 599563176 /nfs/dbraw/zinc/56/31/76/599563176.db2.gz NHGJRRCPPFDBCI-UHFFFAOYSA-N 1 0 391.479 2.826 20 0 GFADRO c1cn(CN2CCC[C@@H]2C[NH+]2CCCCC2)nc1-c1ccc(-c2nn[nH]n2)cc1 ZINC000738405405 599580408 /nfs/dbraw/zinc/58/04/08/599580408.db2.gz OHCTURKSRIDNJW-LJQANCHMSA-N 1 0 392.511 2.638 20 0 GFADRO O=C(C[N@@H+]1CCCC2(C1)CCCCCC2)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000822997435 599587986 /nfs/dbraw/zinc/58/79/86/599587986.db2.gz QTIMMIXSSHMPBG-UHFFFAOYSA-N 1 0 382.512 2.919 20 0 GFADRO CN(Cc1ccc(-c2nn[nH]n2)cc1F)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000821609761 599592337 /nfs/dbraw/zinc/59/23/37/599592337.db2.gz KVUJOCHGJIAZAD-QGZVFWFLSA-N 1 0 380.471 2.960 20 0 GFADRO CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)CSc1ccc(-c2nn[nH]n2)cc1 ZINC000736771443 599604342 /nfs/dbraw/zinc/60/43/42/599604342.db2.gz LZENKDOZNHIIQZ-UHFFFAOYSA-N 1 0 396.520 2.679 20 0 GFADRO Cc1nc2c(s1)[C@H]([N@H+](C)CCC(=O)Nc1cccc(-c3nn[nH]n3)c1)CCC2 ZINC000822457981 599638755 /nfs/dbraw/zinc/63/87/55/599638755.db2.gz BJGDMIJADPSKGD-MRXNPFEDSA-N 1 0 397.508 2.970 20 0 GFADRO COc1ccccc1C[C@H](C)[N@H+](C)CCC(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000821890867 599643087 /nfs/dbraw/zinc/64/30/87/599643087.db2.gz QBGWSLQQJOECNL-HNNXBMFYSA-N 1 0 394.479 2.767 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CNC(=O)N(Cc1ccc(-c2nn[nH]n2)cc1)CC(C)C ZINC000821268426 599675689 /nfs/dbraw/zinc/67/56/89/599675689.db2.gz WMOOYSDQJWWTCE-SFHVURJKSA-N 1 0 385.516 2.519 20 0 GFADRO CC(C)c1ccc(C(=O)N(CC[NH+](C)C)Cc2ccc(-c3nn[nH]n3)cc2)cn1 ZINC000820187444 607393470 /nfs/dbraw/zinc/39/34/70/607393470.db2.gz BENSWRWTSKPQBI-UHFFFAOYSA-N 1 0 393.495 2.589 20 0 GFADRO CC(C)Oc1ccc(NC(=O)NCC[N@@H+]2CCCC[C@@H]2C)cc1-c1nn[nH]n1 ZINC000820170173 607427957 /nfs/dbraw/zinc/42/79/57/607427957.db2.gz SUWVUGSNWFOXMI-AWEZNQCLSA-N 1 0 387.488 2.650 20 0 GFADRO CC(C)Oc1ccc(NC(=O)NCCC2CC[NH+](C)CC2)cc1-c1nn[nH]n1 ZINC000820170375 607429558 /nfs/dbraw/zinc/42/95/58/607429558.db2.gz YSYPRVMAZKRBMI-UHFFFAOYSA-N 1 0 387.488 2.507 20 0 GFADRO C[C@@H]1CCC[C@@](CNC(=O)NC2(c3cccc(-c4nn[nH]n4)c3)CC2)([NH+](C)C)C1 ZINC000824926607 607453069 /nfs/dbraw/zinc/45/30/69/607453069.db2.gz KGBPTOHNJPXWLR-FOIQADDNSA-N 1 0 397.527 2.666 20 0 GFADRO CCCCNC(=O)C1([NH2+]Cc2cc(-c3nn[nH]n3)ccc2OC)CCCCC1 ZINC000825285199 607469277 /nfs/dbraw/zinc/46/92/77/607469277.db2.gz MLWWTIITMSXHSK-UHFFFAOYSA-N 1 0 386.500 2.584 20 0 GFADRO CC(C)(C)OC(=O)N1CC[C@@H]([N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C2CC2)C1 ZINC000824103852 607474112 /nfs/dbraw/zinc/47/41/12/607474112.db2.gz JYZCMDUKGHPPSY-QGZVFWFLSA-N 1 0 384.484 2.841 20 0 GFADRO CC(C)NC(=O)Nc1ccc(C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)cc1 ZINC000820136809 607474416 /nfs/dbraw/zinc/47/44/16/607474416.db2.gz CEJAJHGEPQAHKT-UHFFFAOYSA-N 1 0 383.431 2.826 20 0 GFADRO O[C@@H](C[C@H]1CCC[N@@H+]1CCOc1ccccc1-c1nn[nH]n1)c1ccc(F)cc1 ZINC000826503236 607475908 /nfs/dbraw/zinc/47/59/08/607475908.db2.gz TZCCKTAMBSHKGP-MJGOQNOKSA-N 1 0 397.454 2.973 20 0 GFADRO O[C@H](C[C@H]1CCC[N@@H+]1C[C@H](O)c1ccc(-c2nn[nH]n2)cc1)c1ccc(F)cc1 ZINC000826502246 607476462 /nfs/dbraw/zinc/47/64/62/607476462.db2.gz ZZKRLMWDRKMLFD-AQNXPRMDSA-N 1 0 397.454 2.627 20 0 GFADRO c1ccc2c(c1)cccc2C[NH+]1CCN(Cc2ccnc(-c3nn[nH]n3)c2)CC1 ZINC000826522796 607485125 /nfs/dbraw/zinc/48/51/25/607485125.db2.gz OSVYQJWTQZHYRT-UHFFFAOYSA-N 1 0 385.475 2.733 20 0 GFADRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N[C@@H](C)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000820092254 607498110 /nfs/dbraw/zinc/49/81/10/607498110.db2.gz JSXYDKVRAACFPR-JKSUJKDBSA-N 1 0 385.516 2.595 20 0 GFADRO COc1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H](O)c2ccccc2)cc1-c1nn[nH]n1 ZINC000826194363 607520119 /nfs/dbraw/zinc/52/01/19/607520119.db2.gz KHLNFUOYFGGBAX-QUCCMNQESA-N 1 0 379.464 2.963 20 0 GFADRO FC(F)Oc1cc(-c2nn[nH]n2)ccc1C[N@@H+]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000826369841 607527377 /nfs/dbraw/zinc/52/73/77/607527377.db2.gz SOJDRPKZVAJFMW-HIFRSBDPSA-N 1 0 379.411 2.717 20 0 GFADRO COc1ccc(C[NH2+]Cc2ccc(Oc3cnccn3)cc2)cc1-c1nn[nH]n1 ZINC000826202660 607567847 /nfs/dbraw/zinc/56/78/47/607567847.db2.gz HRYZPHVSICMBGC-UHFFFAOYSA-N 1 0 389.419 2.747 20 0 GFADRO CCC[N@H+](CC)Cc1ccc(C(=O)OCc2ccnc(-c3nn[nH]n3)c2)cc1 ZINC000825308283 607608492 /nfs/dbraw/zinc/60/84/92/607608492.db2.gz ZOPKNGZDTAEBJM-UHFFFAOYSA-N 1 0 380.452 2.851 20 0 GFADRO CC[C@H](CNC(=O)c1ccc(-c2nn[nH]n2)cc1C)[N@@H+]1CCc2ccccc2C1 ZINC000825121748 607661562 /nfs/dbraw/zinc/66/15/62/607661562.db2.gz VGBYZQROXDFHPG-LJQANCHMSA-N 1 0 390.491 2.742 20 0 GFADRO Cc1cc(-c2nn[nH]n2)ccc1C(=O)N[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000826247448 607668758 /nfs/dbraw/zinc/66/87/58/607668758.db2.gz DHCANRWCOUUKCW-MAUKXSAKSA-N 1 0 376.464 2.740 20 0 GFADRO Cc1cc(-c2nn[nH]n2)ccc1C(=O)N(CC[NH+](C)C)Cc1cccc(F)c1 ZINC000826244467 607675381 /nfs/dbraw/zinc/67/53/81/607675381.db2.gz UCIFFZOKFGUKRD-UHFFFAOYSA-N 1 0 382.443 2.518 20 0 GFADRO CC[C@@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1c1ccc(-c2nn[nH]n2)cn1 ZINC000825060915 607679665 /nfs/dbraw/zinc/67/96/65/607679665.db2.gz UYJKFHRCBBBNSL-BEFAXECRSA-N 1 0 392.511 2.702 20 0 GFADRO Cc1cc(-c2nn[nH]n2)ccc1C(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000826245426 607689493 /nfs/dbraw/zinc/68/94/93/607689493.db2.gz XQUFMJUFJXNUFY-DLBZAZTESA-N 1 0 382.512 2.902 20 0 GFADRO COc1cc(OC)cc([C@@H](C(=O)[O-])[N@@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)c1 ZINC000832040201 604464555 /nfs/dbraw/zinc/46/45/55/604464555.db2.gz ACSPSXPMTKNALW-YWZLYKJASA-N 1 0 385.464 2.967 20 0 GFADRO C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)c3ccc(-c4nn[nH]n4)[nH]3)cc2)C1 ZINC000824874542 607699357 /nfs/dbraw/zinc/69/93/57/607699357.db2.gz DPOJXHOPPCQEIK-GJZGRUSLSA-N 1 0 393.495 2.603 20 0 GFADRO c1nc2ccc(-c3nn[nH]n3)cn2c1C[NH2+]Cc1cccc(-c2ccccn2)c1 ZINC000826519450 607706765 /nfs/dbraw/zinc/70/67/65/607706765.db2.gz YYMSKVIMIDWQCZ-UHFFFAOYSA-N 1 0 382.431 2.866 20 0 GFADRO C[N@H+](CC1CC[NH+](C[C@H](O)c2ccccc2)CC1)[C@H](C(=O)[O-])c1cccnc1 ZINC000833693278 604871385 /nfs/dbraw/zinc/87/13/85/604871385.db2.gz RNTMCVCCHACNQC-SFTDATJTSA-N 1 0 383.492 2.585 20 0 GFADRO C[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)C[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1F ZINC000824884754 607750307 /nfs/dbraw/zinc/75/03/07/607750307.db2.gz PBEAQFXUHGJDSB-OLZOCXBDSA-N 1 0 390.463 2.741 20 0 GFADRO O=C(C=Cc1ccccc1-c1nn[nH]n1)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000826400808 607767714 /nfs/dbraw/zinc/76/77/14/607767714.db2.gz IWFZPQNVIBFQEI-KTKRTIGZSA-N 1 0 394.523 2.995 20 0 GFADRO c1ccc(C[N@@H+]2CCC[C@]3(CCN(c4ncccc4-c4nn[nH]n4)C3)C2)cc1 ZINC000823780366 606141497 /nfs/dbraw/zinc/14/14/97/606141497.db2.gz RVIHOWMWVHHGEW-NRFANRHFSA-N 1 0 375.480 2.754 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccccc1-c1ccccc1-c1nn[nH]n1 ZINC000821267368 606217923 /nfs/dbraw/zinc/21/79/23/606217923.db2.gz MXVPIEJILNGBAP-HNNXBMFYSA-N 1 0 376.464 2.748 20 0 GFADRO O=C(NCc1ccc(C[NH+]2CCCCCC2)cc1)c1cc(-c2nn[nH]n2)c[nH]1 ZINC000823249749 606265441 /nfs/dbraw/zinc/26/54/41/606265441.db2.gz IAKXBOYXMCJLRM-UHFFFAOYSA-N 1 0 379.468 2.501 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)c2cc(-c3nn[nH]n3)cn2C)cc1 ZINC000820702799 606280142 /nfs/dbraw/zinc/28/01/42/606280142.db2.gz ADZNCVGPZAUABW-OAHLLOKOSA-N 1 0 393.495 2.510 20 0 GFADRO CCc1ccc([C@H](C)[NH2+][C@@H]2CCN(c3sccc3-c3nn[nH]n3)C2=O)cc1 ZINC000821482900 606296670 /nfs/dbraw/zinc/29/66/70/606296670.db2.gz WDPIGKKQRSWGMO-BLLLJJGKSA-N 1 0 382.493 2.947 20 0 GFADRO C[C@@H]1C[C@H](c2ccccc2)C[N@@H+]1[C@@H]1CCN(c2sccc2-c2nn[nH]n2)C1=O ZINC000820666745 606322606 /nfs/dbraw/zinc/32/26/06/606322606.db2.gz JIDRPEVAMYQEIR-UKPHBRMFSA-N 1 0 394.504 2.912 20 0 GFADRO CC(C)(C)OC(=O)N1CCCC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC000819933253 606419686 /nfs/dbraw/zinc/41/96/86/606419686.db2.gz LDHWZIKHEBSZSD-LBPRGKRZSA-N 1 0 378.502 2.807 20 0 GFADRO CC[N@H+](C)C[C@H]1CCN(C(=O)Nc2ccc(-c3nn[nH]n3)c(C(F)(F)F)c2)C1 ZINC000821160594 606437334 /nfs/dbraw/zinc/43/73/34/606437334.db2.gz NIBQGBHSTRBWIA-LLVKDONJSA-N 1 0 397.405 2.691 20 0 GFADRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cc(-c2nn[nH]n2)cs1 ZINC000821596135 606521004 /nfs/dbraw/zinc/52/10/04/606521004.db2.gz AOCNLQRKKSTALM-OAHLLOKOSA-N 1 0 382.493 2.522 20 0 GFADRO Cc1ccc(C(=O)N2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)c(F)c1 ZINC000822226168 606521655 /nfs/dbraw/zinc/52/16/55/606521655.db2.gz FZISNDQBIWINJY-UHFFFAOYSA-N 1 0 394.454 2.662 20 0 GFADRO Cc1ccccc1C[N@@H+]1CCCN(C(=O)c2ccc(-c3nn[nH]n3)s2)CC1 ZINC000822356180 606524674 /nfs/dbraw/zinc/52/46/74/606524674.db2.gz LQRKQQCKDKXQFE-UHFFFAOYSA-N 1 0 382.493 2.585 20 0 GFADRO Cc1oc(-n2cccc2)c(-c2nn[nH]n2)c1C(=O)NCCC[N@H+]1CCCC[C@@H]1C ZINC000822542045 606524759 /nfs/dbraw/zinc/52/47/59/606524759.db2.gz TWEKGGJTFXVAIE-AWEZNQCLSA-N 1 0 397.483 2.553 20 0 GFADRO O=C(CC[N@@H+](CCC(F)(F)F)CC1CC1)Nc1ccccc1-c1nn[nH]n1 ZINC000822965041 606526462 /nfs/dbraw/zinc/52/64/62/606526462.db2.gz XRXIFVBYYMLXSP-UHFFFAOYSA-N 1 0 382.390 2.860 20 0 GFADRO CC[NH+](CC)[C@@H](CNC(=O)Cc1cccc(-c2nn[nH]n2)c1)c1ccsc1 ZINC000821182749 606526513 /nfs/dbraw/zinc/52/65/13/606526513.db2.gz YMNMYQXLXOROOO-KRWDZBQOSA-N 1 0 384.509 2.670 20 0 GFADRO Cc1ccc([C@H](CNC(=O)c2cc(-c3nn[nH]n3)cs2)[NH+]2CCCC2)cc1 ZINC000822230242 606538912 /nfs/dbraw/zinc/53/89/12/606538912.db2.gz ACYVOVFVBXAIAE-INIZCTEOSA-N 1 0 382.493 2.804 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)c2cc(-c3nn[nH]n3)cs2)CC[N@@H+]1Cc1ccccc1 ZINC000820655225 606544195 /nfs/dbraw/zinc/54/41/95/606544195.db2.gz ACVHIQUKWIBFEB-CZUORRHYSA-N 1 0 382.493 2.711 20 0 GFADRO CCO[C@@H]1C[C@H]([NH2+][C@H]2CCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)C1(CC)CC ZINC000821358492 606621342 /nfs/dbraw/zinc/62/13/42/606621342.db2.gz JFQFCYNHFBFGBE-OKZBNKHCSA-N 1 0 398.511 2.545 20 0 GFADRO COc1cc(-c2nn[nH]n2)ccc1OCC[N@@H+]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000821702101 606715058 /nfs/dbraw/zinc/71/50/58/606715058.db2.gz HOGZHJNEAXIMKM-MRXNPFEDSA-N 1 0 383.427 2.883 20 0 GFADRO C[C@@]1(c2ccccc2)CC[N@@H+]([C@H]2CCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)C1 ZINC000820635997 606717755 /nfs/dbraw/zinc/71/77/55/606717755.db2.gz OJPNGPLDOFEAFX-SIKLNZKXSA-N 1 0 388.475 2.636 20 0 GFADRO CC(C)(C)OC(=O)C[C@@H]1CCC[N@H+](CCOc2cccc(-c3nn[nH]n3)c2)C1 ZINC000819928491 606753389 /nfs/dbraw/zinc/75/33/89/606753389.db2.gz RDNVIYJQEOUPRV-HNNXBMFYSA-N 1 0 387.484 2.689 20 0 GFADRO CN(C(=O)C=Cc1ccccc1-c1nn[nH]n1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000821569374 606812400 /nfs/dbraw/zinc/81/24/00/606812400.db2.gz IFWDIPYBAVZECC-CVTTXWKISA-N 1 0 388.475 2.613 20 0 GFADRO Cc1cc(Oc2ncccc2-c2nn[nH]n2)ccc1NC(=O)C1([NH+](C)C)CCC1 ZINC000822212044 606833544 /nfs/dbraw/zinc/83/35/44/606833544.db2.gz ZVTYXMPRBIKZPQ-UHFFFAOYSA-N 1 0 393.451 2.785 20 0 GFADRO C[N@@H+](Cc1ccc(Br)cc1)C[C@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821609980 606844354 /nfs/dbraw/zinc/84/43/54/606844354.db2.gz UQTXEKBADJGABU-INIZCTEOSA-N 1 0 388.269 2.795 20 0 GFADRO O[C@@H](C[NH2+]Cc1ccc(Br)s1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823689562 606853317 /nfs/dbraw/zinc/85/33/17/606853317.db2.gz HVKOAPLXSRYCAK-LBPRGKRZSA-N 1 0 380.271 2.514 20 0 GFADRO CCO[C@@H]1C[C@@H]([N@H+](C)Cn2ccc(-c3ccc(-c4nn[nH]n4)cc3)n2)C12CCC2 ZINC000821359294 606853802 /nfs/dbraw/zinc/85/38/02/606853802.db2.gz NJTVHUGIKUUZER-RTBURBONSA-N 1 0 393.495 2.967 20 0 GFADRO C[N@@H+](Cc1csc(Br)c1)C[C@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821616663 606857226 /nfs/dbraw/zinc/85/72/26/606857226.db2.gz BBXNYIZGWQSLIH-ZDUSSCGKSA-N 1 0 394.298 2.856 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)Nc2ccc(-c3nn[nH]n3)cc2)C[N@@H+]1Cc1ccccc1 ZINC000820656128 606871074 /nfs/dbraw/zinc/87/10/74/606871074.db2.gz DDKFSJPBFYSNAD-RDTXWAMCSA-N 1 0 377.452 2.651 20 0 GFADRO Cc1nccc([C@H]2CCC[N@H+](CCCOc3cccc(-c4nn[nH]n4)c3)C2)n1 ZINC000822471810 606887922 /nfs/dbraw/zinc/88/79/22/606887922.db2.gz KMLUTYLOHIZNRZ-KRWDZBQOSA-N 1 0 379.468 2.614 20 0 GFADRO Cc1ccc(-c2nn[nH]n2)cc1NC(=O)N[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000822218006 606906537 /nfs/dbraw/zinc/90/65/37/606906537.db2.gz VLTDHCZDCYXCJQ-YJBOKZPZSA-N 1 0 391.479 2.960 20 0 GFADRO CCO[C@H]1C[C@@H]([N@H+](C)CCC(=O)Nc2sccc2-c2nn[nH]n2)C12CCC2 ZINC000821360477 606917253 /nfs/dbraw/zinc/91/72/53/606917253.db2.gz ROOZBRMGCYFSRW-KGLIPLIRSA-N 1 0 390.513 2.536 20 0 GFADRO O[C@@H](C[N@@H+]1CCn2cccc2[C@@H]1c1ccccc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823680939 606919961 /nfs/dbraw/zinc/91/99/61/606919961.db2.gz BKBRHDIEWWUHDS-SFTDATJTSA-N 1 0 386.459 2.807 20 0 GFADRO O[C@H](C[NH+]1CCC(c2nc3ccccc3[nH]2)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823672698 606925101 /nfs/dbraw/zinc/92/51/01/606925101.db2.gz GFEAFYPRCDGGTH-LJQANCHMSA-N 1 0 389.463 2.656 20 0 GFADRO CCC[C@@H]([NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1ccc(F)cc1F ZINC000821022990 606952098 /nfs/dbraw/zinc/95/20/98/606952098.db2.gz VBXMUYHXJDDNKV-BDJLRTHQSA-N 1 0 388.426 2.514 20 0 GFADRO CN(C[C@@H]1CC[N@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C1)C(=O)OC(C)(C)C ZINC000821596680 606970443 /nfs/dbraw/zinc/97/04/43/606970443.db2.gz RHCORZUGEQKVOH-AWEZNQCLSA-N 1 0 390.463 2.695 20 0 GFADRO C[C@@H](CCc1ccccc1F)[NH2+]C1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1 ZINC000820252719 607045902 /nfs/dbraw/zinc/04/59/02/607045902.db2.gz CISKMMSXWCEXBW-HNNXBMFYSA-N 1 0 395.486 2.981 20 0 GFADRO CC[C@@H](Cc1cccs1)[NH2+]C1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1 ZINC000820912947 607046536 /nfs/dbraw/zinc/04/65/36/607046536.db2.gz AGNHZJFVIANTPT-HNNXBMFYSA-N 1 0 383.525 2.903 20 0 GFADRO O[C@]12CCCC[C@H]1C[N@H+](Cc1ccc(-c3nn[nH]n3)cc1OC(F)F)CC2 ZINC000823699606 607075544 /nfs/dbraw/zinc/07/55/44/607075544.db2.gz WGBYAXDRYWWMSN-KSSFIOAISA-N 1 0 379.411 2.595 20 0 GFADRO C[C@@H](CC(=O)Nc1cccnc1Cl)[NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1 ZINC000820227094 607083773 /nfs/dbraw/zinc/08/37/73/607083773.db2.gz YFYXKGKQEQRREG-RYUDHWBXSA-N 1 0 385.859 2.983 20 0 GFADRO C[C@@H](NC(=O)Nc1cc(-c2nn[nH]n2)ccc1OC(F)F)C(C)(C)C[NH+](C)C ZINC000820375081 607093432 /nfs/dbraw/zinc/09/34/32/607093432.db2.gz XSLWYEVBSXSLEX-SNVBAGLBSA-N 1 0 397.430 2.566 20 0 GFADRO COC(=O)[C@]1(C)CC[N@H+](Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)C1 ZINC000821652276 607127429 /nfs/dbraw/zinc/12/74/29/607127429.db2.gz OYNRBZNWLXHQCA-OAQYLSRUSA-N 1 0 377.448 2.919 20 0 GFADRO CCC[C@H](C)[C@H]1CCC[N@@H+]1CCS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821016721 607146871 /nfs/dbraw/zinc/14/68/71/607146871.db2.gz YWLXVQVADCJNJB-WMLDXEAASA-N 1 0 377.514 2.541 20 0 GFADRO COc1cc(N[C@H]2CCC[N@H+](Cc3ccccc3-c3nn[nH]n3)C2)cc(OC)c1 ZINC000821719649 607177467 /nfs/dbraw/zinc/17/74/67/607177467.db2.gz GVMBARLLYDVOSV-INIZCTEOSA-N 1 0 394.479 2.960 20 0 GFADRO CC(C)(CNC(=O)Nc1ccc(-c2nn[nH]n2)cc1Cl)[NH+]1CCCCC1 ZINC000819981230 607197074 /nfs/dbraw/zinc/19/70/74/607197074.db2.gz RUSGRINWIIYKCX-UHFFFAOYSA-N 1 0 377.880 2.906 20 0 GFADRO O=C(Nc1ccc(-c2nn[nH]n2)cc1Cl)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000823318333 607201317 /nfs/dbraw/zinc/20/13/17/607201317.db2.gz CFJUHRSGPMWQGI-HNNXBMFYSA-N 1 0 397.870 2.916 20 0 GFADRO C[C@@H](CNC(=O)Nc1ccc(-c2nn[nH]n2)cc1Cl)[N@@H+]1CCC[C@H](C)C1 ZINC000820709039 607201627 /nfs/dbraw/zinc/20/16/27/607201627.db2.gz CFDZBPNINNGSRP-RYUDHWBXSA-N 1 0 377.880 2.762 20 0 GFADRO Fc1ccc2c(c1)[C@H]([NH+]1CCN(c3ccc(-c4nn[nH]n4)cn3)CC1)CCC2 ZINC000826375978 607794914 /nfs/dbraw/zinc/79/49/14/607794914.db2.gz JPICTNOZYSCDKK-GOSISDBHSA-N 1 0 379.443 2.600 20 0 GFADRO O=S(=O)(CC[NH2+][C@@H]1CC[C@H]2CCCC[C@@H]2C1)c1cccc(-c2nn[nH]n2)c1 ZINC000826485496 607815231 /nfs/dbraw/zinc/81/52/31/607815231.db2.gz SPWHREGHXNZJQZ-BFYDXBDKSA-N 1 0 389.525 2.589 20 0 GFADRO CC(C)[N@H+](CCc1nccs1)Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)o1 ZINC000824293418 607831260 /nfs/dbraw/zinc/83/12/60/607831260.db2.gz LBFISIVXVSOXLJ-UHFFFAOYSA-N 1 0 396.480 2.826 20 0 GFADRO Fc1cccn2cc(C[NH2+]CCSCc3ccccc3-c3nn[nH]n3)nc12 ZINC000826378318 607908759 /nfs/dbraw/zinc/90/87/59/607908759.db2.gz DPZPUHLXCNFQHK-UHFFFAOYSA-N 1 0 383.456 2.677 20 0 GFADRO CC[C@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000825210014 607942086 /nfs/dbraw/zinc/94/20/86/607942086.db2.gz DSIGVRSJJFTHDN-DOTOQJQBSA-N 1 0 386.500 2.992 20 0 GFADRO C[N@H+](CCCc1[nH]nc(N)c1-c1nn[nH]n1)CCCc1cccc2ccccc21 ZINC000825934621 608036933 /nfs/dbraw/zinc/03/69/33/608036933.db2.gz OUVXABKQTMTYFL-UHFFFAOYSA-N 1 0 390.495 2.822 20 0 GFADRO O=C(CC[N@H+]1CC[C@H](C(F)F)C1)Nc1sc2c(c1-c1nn[nH]n1)CCCC2 ZINC000826406601 608044748 /nfs/dbraw/zinc/04/47/48/608044748.db2.gz DQPWAFNCOZPROF-JTQLQIEISA-N 1 0 396.467 2.723 20 0 GFADRO Cc1cccc([C@@H]2CC[N@H+](CCC(=O)Nc3cccc(-c4nn[nH]n4)c3)C2)c1 ZINC000826297741 608127496 /nfs/dbraw/zinc/12/74/96/608127496.db2.gz QMIAXIPADJTXMK-GOSISDBHSA-N 1 0 376.464 2.993 20 0 GFADRO Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)n1C[N@H+]1CC[C@H](C)C2(CCC2)C1 ZINC000826334595 608150768 /nfs/dbraw/zinc/15/07/68/608150768.db2.gz BEFPLMKPGLBOHV-AWEZNQCLSA-N 1 0 378.484 2.903 20 0 GFADRO CC[N@H+](CCc1ccccn1)[C@H](C)C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000825428593 608164682 /nfs/dbraw/zinc/16/46/82/608164682.db2.gz QVBZWTFOSGCTAK-CYBMUJFWSA-N 1 0 399.886 2.807 20 0 GFADRO C[NH+](C)C1CN(C(=O)c2ccccc2SCc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000825855946 608209587 /nfs/dbraw/zinc/20/95/87/608209587.db2.gz MEXNBYHYTISFEF-UHFFFAOYSA-N 1 0 394.504 2.545 20 0 GFADRO O[C@@H](C[N@@H+]1CCCN(c2ccccc2-c2nn[nH]n2)CC1)c1ccc(Cl)cc1 ZINC000826511025 608221497 /nfs/dbraw/zinc/22/14/97/608221497.db2.gz YIROLBWASYBHAX-IBGZPJMESA-N 1 0 398.898 2.766 20 0 GFADRO CCc1nnc(NCC2CCN(c3cc[nH+]cc3)CC2)c(-c2nn[nH]n2)c1CC ZINC000825767952 608242947 /nfs/dbraw/zinc/24/29/47/608242947.db2.gz VQWOEQKQZMJASH-UHFFFAOYSA-N 1 0 393.499 2.505 20 0 GFADRO Cc1cccc(NC(=O)C[C@H](C)[NH2+]CCOc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000826298603 608280214 /nfs/dbraw/zinc/28/02/14/608280214.db2.gz ANDJWQWLCWWMDT-HNNXBMFYSA-N 1 0 380.452 2.561 20 0 GFADRO C[C@H]([NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)c1ccc(N2CCCC2=O)cc1 ZINC000824605479 608282550 /nfs/dbraw/zinc/28/25/50/608282550.db2.gz HZOFPCDZWJQOOW-ZDUSSCGKSA-N 1 0 380.427 2.983 20 0 GFADRO C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC000824384519 608283349 /nfs/dbraw/zinc/28/33/49/608283349.db2.gz CVBIGZBPKHOTMS-SNVBAGLBSA-N 1 0 389.822 2.561 20 0 GFADRO C[C@@H](C[C@H](C)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)OC(C)(C)C ZINC000824393606 608283647 /nfs/dbraw/zinc/28/36/47/608283647.db2.gz UCHDNIKWKONLFI-RYUDHWBXSA-N 1 0 378.452 2.787 20 0 GFADRO COc1cccc(NC(=O)C[C@H](C)[NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)c1 ZINC000826216890 608285459 /nfs/dbraw/zinc/28/54/59/608285459.db2.gz QWQZYMIVTPRCGJ-LBPRGKRZSA-N 1 0 384.415 2.521 20 0 GFADRO CC[N@@H+]1C[C@@H](C)N(C(=O)Nc2ccc(-c3nn[nH]n3)c(C(F)(F)F)c2)C[C@H]1C ZINC000825443771 608303608 /nfs/dbraw/zinc/30/36/08/608303608.db2.gz FXRDRFHHFORCRH-GHMZBOCLSA-N 1 0 397.405 2.832 20 0 GFADRO O=C1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CN1c1ccc(Cl)c(F)c1 ZINC000826478897 608310164 /nfs/dbraw/zinc/31/01/64/608310164.db2.gz LOVWEBAWQFKYFN-CYBMUJFWSA-N 1 0 386.818 2.554 20 0 GFADRO COCC[N@H+](CCCc1ccccc1)Cc1ccc(-c2nn[nH]n2)cc1OC ZINC000826158295 608356612 /nfs/dbraw/zinc/35/66/12/608356612.db2.gz JHSWTTOQGSJKSP-UHFFFAOYSA-N 1 0 381.480 2.957 20 0 GFADRO COc1cc(-c2nn[nH]n2)ccc1C[N@@H+]1CCCC[C@H]1Cn1nc(C)cc1C ZINC000826169541 608359934 /nfs/dbraw/zinc/35/99/34/608359934.db2.gz WOLYTADUPSLYJW-SFHVURJKSA-N 1 0 381.484 2.743 20 0 GFADRO COc1cc(-c2nn[nH]n2)ccc1C[N@@H+]1CCC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000826169128 608367494 /nfs/dbraw/zinc/36/74/94/608367494.db2.gz IYSOWLYCSWRFOB-RTBURBONSA-N 1 0 379.464 2.963 20 0 GFADRO CC[C@H]([NH2+]CCC(=O)Nc1ccc(-c2nn[nH]n2)cc1)c1ccc(OC)cc1 ZINC000825141268 608426246 /nfs/dbraw/zinc/42/62/46/608426246.db2.gz NEJKNEQJAXBKTR-SFHVURJKSA-N 1 0 380.452 2.945 20 0 GFADRO COc1ccc([C@H](C)[NH2+]CC(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)cc1 ZINC000826188378 608431698 /nfs/dbraw/zinc/43/16/98/608431698.db2.gz VMIIDSVKXXQEMX-NSHDSACASA-N 1 0 386.843 2.818 20 0 GFADRO COc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2oc(C)c(C)c2-c2nn[nH]n2)cc1 ZINC000826188242 608431842 /nfs/dbraw/zinc/43/18/42/608431842.db2.gz RDUBCTDHVUKTQZ-VXGBXAGGSA-N 1 0 384.440 2.763 20 0 GFADRO CC(C)Oc1ccccc1[C@H](C)[NH2+]CC(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000824334218 608453270 /nfs/dbraw/zinc/45/32/70/608453270.db2.gz SADNGZYWYNRNMQ-AWEZNQCLSA-N 1 0 380.452 2.943 20 0 GFADRO C[C@H]([NH2+]CC(=O)N(Cc1ccccc1)C1CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824555110 608459528 /nfs/dbraw/zinc/45/95/28/608459528.db2.gz USSAUKNBYRULOZ-HNNXBMFYSA-N 1 0 376.464 2.709 20 0 GFADRO C[C@H]([NH2+]CC(=O)N[C@H](c1ccccc1)C1CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824553672 608462242 /nfs/dbraw/zinc/46/22/42/608462242.db2.gz FSZGOKRRNZCODR-VBKZILBWSA-N 1 0 376.464 2.785 20 0 GFADRO CCOc1cccc([C@H](C)[NH2+]CCC(=O)Nc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000825649278 608471857 /nfs/dbraw/zinc/47/18/57/608471857.db2.gz NMOOMEGSTYXCDX-AWEZNQCLSA-N 1 0 380.452 2.945 20 0 GFADRO COc1ccc([C@@H](C)[NH2+]CCC(=O)Nc2cccc(-c3nn[nH]n3)c2)cc1OC ZINC000826187827 608472413 /nfs/dbraw/zinc/47/24/13/608472413.db2.gz GCVRDEQXHZBDLL-CYBMUJFWSA-N 1 0 396.451 2.563 20 0 GFADRO C[C@H](c1ccc(F)cc1)N(C)C(=O)C[NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1 ZINC000824553707 608481792 /nfs/dbraw/zinc/48/17/92/608481792.db2.gz FYLISYNOYFECIQ-UONOGXRCSA-N 1 0 382.443 2.876 20 0 GFADRO CCc1ccc(CN(C)C(=O)C[NH2+][C@@H](C)c2cccc(-c3nn[nH]n3)c2)cc1 ZINC000825712136 608488649 /nfs/dbraw/zinc/48/86/49/608488649.db2.gz KUSUPBNXFFQUJY-HNNXBMFYSA-N 1 0 378.480 2.738 20 0 GFADRO C[C@H]([NH2+]C[C@@H](O)CO[C@H]1CCCc2ccccc21)c1cccc(-c2nn[nH]n2)c1 ZINC000824571708 608492000 /nfs/dbraw/zinc/49/20/00/608492000.db2.gz RGKGLYHDAOXUKM-DLVCFXQMSA-N 1 0 393.491 2.972 20 0 GFADRO COc1ccc(OC)c([C@H](O)C[NH2+][C@@H]2CCCc3cc(-c4nn[nH]n4)ccc32)c1 ZINC000826210918 608498749 /nfs/dbraw/zinc/49/87/49/608498749.db2.gz JFBBXRLTMJCDNA-RTBURBONSA-N 1 0 395.463 2.585 20 0 GFADRO Fc1ccc(CN2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)cc1Cl ZINC000826374969 608502606 /nfs/dbraw/zinc/50/26/06/608502606.db2.gz URWANKRLJJXQEO-UHFFFAOYSA-N 1 0 386.862 2.977 20 0 GFADRO O=C1[C@H]([NH2+][C@H]2CCCc3cc(-c4nn[nH]n4)ccc32)CCN1c1ccccc1F ZINC000826476744 608520553 /nfs/dbraw/zinc/52/05/53/608520553.db2.gz OCBNVZIZXBRPNF-ZWKOTPCHSA-N 1 0 392.438 2.778 20 0 GFADRO O[C@@H](C[NH2+]C1(c2ccc(Cl)cc2)CC1)COc1ccc(-c2nn[nH]n2)cc1 ZINC000826503020 608525131 /nfs/dbraw/zinc/52/51/31/608525131.db2.gz OQYXDEUUQRTDMS-INIZCTEOSA-N 1 0 385.855 2.539 20 0 GFADRO O=C(C[NH2+][C@@H](CC1CC1)c1ccccc1)NCc1cccc(-c2nn[nH]n2)c1 ZINC000826412187 608528247 /nfs/dbraw/zinc/52/82/47/608528247.db2.gz FTPPJWKORCPHRU-IBGZPJMESA-N 1 0 376.464 2.614 20 0 GFADRO O[C@H](C[NH2+]C1(c2cccc(-c3nn[nH]n3)c2)CC1)COc1ccccc1Cl ZINC000826503369 608528952 /nfs/dbraw/zinc/52/89/52/608528952.db2.gz WAATXLJKIBZHBR-OAHLLOKOSA-N 1 0 385.855 2.539 20 0 GFADRO Cc1cccc([C@@H](C)[NH2+]CCS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)c1C ZINC000826295842 608533895 /nfs/dbraw/zinc/53/38/95/608533895.db2.gz AFEMHIWCSRTGBM-OAHLLOKOSA-N 1 0 385.493 2.608 20 0 GFADRO C[C@@H]1CCc2c(F)cccc2[C@@H]1[NH2+]C[C@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000824966811 608577965 /nfs/dbraw/zinc/57/79/65/608577965.db2.gz DYGLWEGIDHXNNL-IAMHBRQHSA-N 1 0 397.454 2.659 20 0 GFADRO CC[C@@H](C)[C@H](C)[NH2+]CC(=O)Nc1c(-c2nn[nH]n2)c(C)c(C)n1Cc1ccco1 ZINC000825059975 608578280 /nfs/dbraw/zinc/57/82/80/608578280.db2.gz MSULXKAIOBAARX-OCCSQVGLSA-N 1 0 399.499 2.889 20 0 GFADRO CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC000824108976 608578885 /nfs/dbraw/zinc/57/88/85/608578885.db2.gz LZJCIBOXBBAYNN-GJZGRUSLSA-N 1 0 376.436 2.541 20 0 GFADRO CCOC(=O)C(F)(F)[C@H]1CCC[C@@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC000825494652 608579565 /nfs/dbraw/zinc/57/95/65/608579565.db2.gz ZLTQCBYPTRBPRF-UONOGXRCSA-N 1 0 397.401 2.853 20 0 GFADRO c1[nH]nc2cc(C[NH+]3CCC(Oc4cccc(-c5nn[nH]n5)c4)CC3)ccc12 ZINC000826517771 608603962 /nfs/dbraw/zinc/60/39/62/608603962.db2.gz OBKZHORUWGUYPS-UHFFFAOYSA-N 1 0 375.436 2.786 20 0 GFADRO CC(=O)N1CCCCC[C@H]1C1CC[NH+](Cc2cc(-c3nn[nH]n3)cs2)CC1 ZINC000823981001 608697244 /nfs/dbraw/zinc/69/72/44/608697244.db2.gz IWATXXWQGLXADT-SFHVURJKSA-N 1 0 388.541 2.931 20 0 GFADRO C[C@@H]1COCC[N@H+](Cc2cccc(OCc3ccccc3-c3nn[nH]n3)c2)C1 ZINC000825005998 608711645 /nfs/dbraw/zinc/71/16/45/608711645.db2.gz FJSULKWOSOWWLG-INIZCTEOSA-N 1 0 379.464 2.914 20 0 GFADRO CCC[N@H+](Cc1cnc2ccc(-c3nn[nH]n3)cn12)[C@H]1C[C@@H](OCC)C1(C)C ZINC000825322610 608718166 /nfs/dbraw/zinc/71/81/66/608718166.db2.gz FVWOJTYWJRHLBJ-DLBZAZTESA-N 1 0 383.500 2.930 20 0 GFADRO O[C@H](C[C@@H]1CCC[N@@H+]1Cc1cnc2ccc(-c3nn[nH]n3)cn12)c1ccccc1 ZINC000826503301 608749373 /nfs/dbraw/zinc/74/93/73/608749373.db2.gz UYEOQXHUJNEGCW-PKOBYXMFSA-N 1 0 389.463 2.603 20 0 GFADRO CC1CC[NH+](CCc2cccc(NC(=O)c3ccc(-c4nn[nH]n4)nc3)c2)CC1 ZINC000824955328 608764086 /nfs/dbraw/zinc/76/40/86/608764086.db2.gz OLLRHFWGJXKHAY-UHFFFAOYSA-N 1 0 391.479 2.788 20 0 GFADRO C[C@@H]([NH2+][C@H](CC(=O)N(C)C)c1ccccc1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824528812 609134889 /nfs/dbraw/zinc/13/48/89/609134889.db2.gz CMBNJJNWHCKUPI-FZKQIMNGSA-N 1 0 382.443 2.876 20 0 GFADRO C[C@H]([NH2+]CCNC(=O)c1ccccc1Cl)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824599272 609142783 /nfs/dbraw/zinc/14/27/83/609142783.db2.gz NKOPMDSYLANLMJ-NSHDSACASA-N 1 0 388.834 2.740 20 0 GFADRO C[C@@H]([NH2+][C@@H](CO)Cc1c[nH]c2ccccc12)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824531658 609143853 /nfs/dbraw/zinc/14/38/53/609143853.db2.gz PVQQHZZDEJDTNV-IUODEOHRSA-N 1 0 380.427 2.741 20 0 GFADRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)c(C)n1 ZINC000826283351 609167716 /nfs/dbraw/zinc/16/77/16/609167716.db2.gz OYSXBNQZGBUYOU-DNVCBOLYSA-N 1 0 391.479 2.725 20 0 GFADRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)c3c[nH]c(-c4nn[nH]n4)c3)cc2)C1 ZINC000824874301 609196186 /nfs/dbraw/zinc/19/61/86/609196186.db2.gz BWGVIMKXJNUNFU-GASCZTMLSA-N 1 0 393.495 2.603 20 0 GFADRO Cc1cc(N2CCC[C@H]([NH2+][C@H](C)c3cccc(-c4nn[nH]n4)c3)C2)nc(C)n1 ZINC000826269122 609233193 /nfs/dbraw/zinc/23/31/93/609233193.db2.gz AVTJKYRIIYVLIE-KDOFPFPSSA-N 1 0 378.484 2.593 20 0 GFADRO COc1ccc(C)nc1NC1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826190275 609245861 /nfs/dbraw/zinc/24/58/61/609245861.db2.gz WABCTWGQBWPDIQ-UHFFFAOYSA-N 1 0 379.468 2.655 20 0 GFADRO CC[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2ccccc2Oc2ccccc2-c2nn[nH]n2)C1 ZINC000825443478 609326807 /nfs/dbraw/zinc/32/68/07/609326807.db2.gz CNEXWCNJJZQWEX-PBHICJAKSA-N 1 0 392.463 2.729 20 0 GFADRO CCN(CC[NH2+][C@H](C)c1ccc(-c2nn[nH]n2)cc1F)C(=O)OC(C)(C)C ZINC000825424529 609333527 /nfs/dbraw/zinc/33/35/27/609333527.db2.gz JPUHMSNCRIQFNF-GFCCVEGCSA-N 1 0 378.452 2.913 20 0 GFADRO C[C@H]([NH2+]CCNc1nccc(C(F)(F)F)n1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824600247 609335619 /nfs/dbraw/zinc/33/56/19/609335619.db2.gz YSNSCHDJNBHHJD-VIFPVBQESA-N 1 0 396.352 2.577 20 0 GFADRO C[C@@H]([NH2+][C@@H]1CCN(c2ncccc2Cl)C1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824554301 609339690 /nfs/dbraw/zinc/33/96/90/609339690.db2.gz OJRHXPYQPRDDLS-DGCLKSJQSA-N 1 0 387.850 2.984 20 0 GFADRO Cc1cc(N2CCC[C@@H]([NH2+][C@@H](C)c3ccc(-c4nn[nH]n4)cc3F)C2)nc(C)n1 ZINC000826269156 609348593 /nfs/dbraw/zinc/34/85/93/609348593.db2.gz BWJAVALZQFGPMR-XJKSGUPXSA-N 1 0 396.474 2.732 20 0 GFADRO C[C@@H](NC(=O)Nc1ccc(F)c(-c2nn[nH]n2)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000824506439 609352404 /nfs/dbraw/zinc/35/24/04/609352404.db2.gz ONWSRGKRMZCOHV-OLZOCXBDSA-N 1 0 387.463 2.780 20 0 GFADRO Cc1ccc(-c2nn[nH]n2)cc1NC(=O)N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000826277851 609354763 /nfs/dbraw/zinc/35/47/63/609354763.db2.gz JPHYJUDODXUIKD-ZBFHGGJFSA-N 1 0 383.500 2.950 20 0 GFADRO C[C@H]1C[C@H](NC(=O)c2ccccc2Oc2ccccc2-c2nn[nH]n2)CC[N@@H+]1C ZINC000824894634 609385559 /nfs/dbraw/zinc/38/55/59/609385559.db2.gz ZSJSFRKEDDMGGP-LSDHHAIUSA-N 1 0 392.463 2.872 20 0 GFADRO C[C@H](C[NH2+][C@@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O)c1ccccc1 ZINC000824427431 609411957 /nfs/dbraw/zinc/41/19/57/609411957.db2.gz NCWPADBTNPFRLV-DNVCBOLYSA-N 1 0 376.464 2.755 20 0 GFADRO Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000826294174 609415044 /nfs/dbraw/zinc/41/50/44/609415044.db2.gz LBAGAMYXOJRGJR-VQTJNVASSA-N 1 0 388.475 2.948 20 0 GFADRO CCc1ccc(C[NH2+][C@@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)cc1 ZINC000825712706 609415087 /nfs/dbraw/zinc/41/50/87/609415087.db2.gz VOPUFNMQNUOIDM-LJQANCHMSA-N 1 0 376.464 2.714 20 0 GFADRO O=C1[C@H]([NH2+]C[C@H]2C[C@H]2c2ccccc2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476159 609415554 /nfs/dbraw/zinc/41/55/54/609415554.db2.gz BSNUXXPMHHJHDC-YZGWKJHDSA-N 1 0 388.475 2.755 20 0 GFADRO NC(=O)[C@H]([NH2+]CC1(Cc2ccccc2)CCCC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000826388882 609418842 /nfs/dbraw/zinc/41/88/42/609418842.db2.gz LEBILOMIRICSQH-LJQANCHMSA-N 1 0 390.491 2.786 20 0 GFADRO C[C@H]([NH2+]CCOc1ccccc1-c1nn[nH]n1)c1cccc(-n2ccnc2)c1 ZINC000824599979 609441297 /nfs/dbraw/zinc/44/12/97/609441297.db2.gz VGZZPUQYXDRHAU-HNNXBMFYSA-N 1 0 375.436 2.782 20 0 GFADRO c1cn(C[N@H+]2CC[C@@H](Cc3ccncc3)C2)nc1-c1ccc(-c2nn[nH]n2)cc1 ZINC000826515371 609464756 /nfs/dbraw/zinc/46/47/56/609464756.db2.gz XAKIZMMZDCCZLS-KRWDZBQOSA-N 1 0 386.463 2.647 20 0 GFADRO Cc1c(Cl)cnc(NCC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)c1-c1nn[nH]n1 ZINC000826239493 609526642 /nfs/dbraw/zinc/52/66/42/609526642.db2.gz JDGBMHZLRQYNFF-QWRGUYRKSA-N 1 0 379.896 2.523 20 0 GFADRO Clc1cccc(-c2nn[nH]n2)c1N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000826352718 609560939 /nfs/dbraw/zinc/56/09/39/609560939.db2.gz LOXXAZFSLYUAGC-UHFFFAOYSA-N 1 0 390.919 2.849 20 0 GFADRO C[NH+](C)CCn1ccc(NC(=O)Cc2c(F)ccc(Br)c2F)n1 ZINC000503485286 650418467 /nfs/dbraw/zinc/41/84/67/650418467.db2.gz XECJDYKUKTUDAF-UHFFFAOYSA-N 1 0 387.228 2.667 20 0 GFADRO C[NH+](C)CCn1ccc(NC(=O)c2cc3ccc(Br)cc3[nH]2)n1 ZINC000523715893 650637262 /nfs/dbraw/zinc/63/72/62/650637262.db2.gz KXIVDAVYBGDWOH-UHFFFAOYSA-N 1 0 376.258 2.941 20 0 GFADRO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000818006552 660213196 /nfs/dbraw/zinc/21/31/96/660213196.db2.gz QBIKOIKNRTVPHN-MLCYQJTMSA-N 1 0 393.281 2.921 20 0 GFADRO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(C(=O)[C@H](O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000818011400 660213349 /nfs/dbraw/zinc/21/33/49/660213349.db2.gz ZPWCBYIMRDKKNL-BRWVUGGUSA-N 1 0 387.307 2.772 20 0 GFADRO [NH3+]Cc1ccc2c(c1)CCCN2C(=O)c1sccc1S(=O)(=O)C(F)F ZINC000818553379 660228587 /nfs/dbraw/zinc/22/85/87/660228587.db2.gz SRPZYIQPCGGCRZ-UHFFFAOYSA-N 1 0 386.445 2.796 20 0 GFADRO CC[C@H](C)NC(=O)CC[NH2+]C[C@@](C)(O)c1ccc(Br)cc1F ZINC000818966055 660239033 /nfs/dbraw/zinc/23/90/33/660239033.db2.gz YLKADVZPAJAYQP-MEDUHNTESA-N 1 0 375.282 2.690 20 0 GFADRO O[C@H](C[NH2+]Cc1ccc(N2CCOCC2)nc1)c1ccc(Br)cc1 ZINC000818944804 660236358 /nfs/dbraw/zinc/23/63/58/660236358.db2.gz PVBZGFZVZYOLQH-QGZVFWFLSA-N 1 0 392.297 2.504 20 0 GFADRO O[C@@H](C[NH2+]Cc1ccc(N2CCOCC2)nc1)c1cccc(Br)c1 ZINC000818945271 660236372 /nfs/dbraw/zinc/23/63/72/660236372.db2.gz ZQUVAEPTWCLURR-KRWDZBQOSA-N 1 0 392.297 2.504 20 0 GFADRO Cc1ncc2c(n1)CC[C@H]([NH2+]C[C@@H](O)c1ccc(F)c(Br)c1)C2 ZINC000818949403 660237230 /nfs/dbraw/zinc/23/72/30/660237230.db2.gz LUXGUIMXCBIIQT-SUMWQHHRSA-N 1 0 380.261 2.867 20 0 GFADRO COCC(=O)Nc1cccc(C[NH2+]C[C@H](O)c2ccc(Br)cc2)c1 ZINC000818951893 660237560 /nfs/dbraw/zinc/23/75/60/660237560.db2.gz AKXPHISFNIWPFL-KRWDZBQOSA-N 1 0 393.281 2.857 20 0 GFADRO C[C@](O)(C[NH2+]CCCC(=O)NC1CC1)c1ccc(Br)cc1Cl ZINC000818961403 660237869 /nfs/dbraw/zinc/23/78/69/660237869.db2.gz QOBIKVQRLAMWRB-INIZCTEOSA-N 1 0 389.721 2.958 20 0 GFADRO O=S(=O)(CC[NH2+]C[C@H](O)c1cc(F)ccc1F)c1ccc(Cl)cc1 ZINC000818973643 660239689 /nfs/dbraw/zinc/23/96/89/660239689.db2.gz UFQALUZLSSBAMD-INIZCTEOSA-N 1 0 375.824 2.715 20 0 GFADRO CC(C)(C)OC(=O)NCC[NH2+]C[C@](C)(O)c1ccc(Br)cc1F ZINC000818982243 660241341 /nfs/dbraw/zinc/24/13/41/660241341.db2.gz JAJWAWFQDAWPLC-INIZCTEOSA-N 1 0 391.281 2.910 20 0 GFADRO COC(=O)N1CCC[C@@H]([NH2+]C[C@@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000819001270 660242876 /nfs/dbraw/zinc/24/28/76/660242876.db2.gz ARRSZUFNQYLZSY-VXGBXAGGSA-N 1 0 377.268 2.554 20 0 GFADRO COC(=O)N1CCC[C@@H]([NH2+]C[C@@H](O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000819003913 660243139 /nfs/dbraw/zinc/24/31/39/660243139.db2.gz SRZHQUPQDASCHC-VXGBXAGGSA-N 1 0 377.268 2.554 20 0 GFADRO O=C1[C@@H]([NH2+]C[C@H](O)c2cccc(Br)c2)CCN1c1ccccc1 ZINC000819047759 660244485 /nfs/dbraw/zinc/24/44/85/660244485.db2.gz ZMEYQUGXYAALPA-IRXDYDNUSA-N 1 0 375.266 2.878 20 0 GFADRO Cc1ccc(C(=O)NCC[NH2+]C[C@@H](O)c2ccc(F)c(Br)c2)cc1 ZINC000819046640 660244492 /nfs/dbraw/zinc/24/44/92/660244492.db2.gz OTXWWFAUEGLVNJ-QGZVFWFLSA-N 1 0 395.272 2.950 20 0 GFADRO O[C@H](C[NH2+]C1CCN(C[C@H]2CCCO2)CC1)c1cccc(Br)c1 ZINC000819061327 660244948 /nfs/dbraw/zinc/24/49/48/660244948.db2.gz KTDXFSVVISTFJC-QZTJIDSGSA-N 1 0 383.330 2.716 20 0 GFADRO O[C@@H](C[NH2+]CCOc1ncc(C(F)(F)F)cc1Cl)c1ccc(F)cn1 ZINC000819101178 660246568 /nfs/dbraw/zinc/24/65/68/660246568.db2.gz OYSRQPRIVLSHBL-ZDUSSCGKSA-N 1 0 379.741 2.990 20 0 GFADRO CCO[C@@H]1C[C@H]([NH2+]C[C@@](C)(O)c2ccc(Br)cc2F)[C@H]1OC ZINC000819226862 660251043 /nfs/dbraw/zinc/25/10/43/660251043.db2.gz KWHNWRINUFQLFX-ZJIFWQFVSA-N 1 0 376.266 2.578 20 0 GFADRO O=C(C1CCCC1)N1CC[C@@H]([NH2+]C[C@@H](O)c2ccccc2Br)C1 ZINC000819164104 660248510 /nfs/dbraw/zinc/24/85/10/660248510.db2.gz OWJUTLQVJYYACT-RHSMWYFYSA-N 1 0 381.314 2.863 20 0 GFADRO CCOC(=O)C[C@H](C)C[NH2+]C[C@](C)(O)c1ccc(Br)cc1F ZINC000819192924 660249603 /nfs/dbraw/zinc/24/96/03/660249603.db2.gz ATFMKTKVCKIIHY-ZBEGNZNMSA-N 1 0 376.266 2.975 20 0 GFADRO O=C1[C@@H]([NH2+]C[C@@H](O)c2ccc(F)cn2)CCN1c1ccc(Cl)c(Cl)c1 ZINC000819212189 660250340 /nfs/dbraw/zinc/25/03/40/660250340.db2.gz JNAHACWMNLRNSW-JKSUJKDBSA-N 1 0 384.238 2.956 20 0 GFADRO Cn1ccnc1[C@@H]1C[C@H]([NH2+]C[C@H](O)c2cccc(Br)c2)CCO1 ZINC000819360961 660256867 /nfs/dbraw/zinc/25/68/67/660256867.db2.gz MOGCHGZNFIJOSK-PMPSAXMXSA-N 1 0 380.286 2.726 20 0 GFADRO Cc1cc(C[NH2+]C[C@H](O)c2ccc(F)cn2)ccc1I ZINC000819284677 660253615 /nfs/dbraw/zinc/25/36/15/660253615.db2.gz SQGSLKFSHBLVQT-HNNXBMFYSA-N 1 0 386.208 2.957 20 0 GFADRO CC(=O)Nc1ccc(OC[C@H](O)C[NH2+]CC[C@@]2(C)CC2(Cl)Cl)cc1 ZINC000819350811 660256368 /nfs/dbraw/zinc/25/63/68/660256368.db2.gz RULVDYZFAXNQKK-ZBFHGGJFSA-N 1 0 375.296 2.948 20 0 GFADRO O[C@@H](C[NH2+]Cc1cccc(N2CCOCC2)n1)c1ccc(Br)cc1 ZINC000819243371 660251950 /nfs/dbraw/zinc/25/19/50/660251950.db2.gz VRDDSULGYRYJRQ-KRWDZBQOSA-N 1 0 392.297 2.504 20 0 GFADRO Cc1nc(SC(F)(F)F)sc1CC(=O)N[C@@H](CO)C[NH+]1CCCCC1 ZINC000819749487 660268638 /nfs/dbraw/zinc/26/86/38/660268638.db2.gz SGJSPHUMFQGDDR-LLVKDONJSA-N 1 0 397.488 2.569 20 0 GFADRO COc1cc2[nH+]ccc(NCCCN3CCOC3=O)c2cc1Br ZINC000819915415 660274713 /nfs/dbraw/zinc/27/47/13/660274713.db2.gz DZFLBKLNIRWOOW-UHFFFAOYSA-N 1 0 380.242 2.682 20 0 GFADRO C[C@H](CNC(=O)c1cnn(Cc2ccccc2)c1Br)C[NH+](C)C ZINC000820240689 660286194 /nfs/dbraw/zinc/28/61/94/660286194.db2.gz QVBZYDVGVROFAO-CYBMUJFWSA-N 1 0 379.302 2.621 20 0 GFADRO C[N@@H+](CCc1ccc(Br)cc1)CCn1cnc(Br)n1 ZINC000821374953 660323432 /nfs/dbraw/zinc/32/34/32/660323432.db2.gz RYDLETKTGHJZAD-UHFFFAOYSA-N 1 0 388.107 2.978 20 0 GFADRO CS[C@@H]1CN(C(=O)c2csc(Br)n2)C[C@H]1[NH+]1CCCC1 ZINC000821893327 660336529 /nfs/dbraw/zinc/33/65/29/660336529.db2.gz FZMXHNDZMJDLIQ-GHMZBOCLSA-N 1 0 376.345 2.557 20 0 GFADRO CN(C(=O)c1ncc(Br)cn1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000822152812 660340930 /nfs/dbraw/zinc/34/09/30/660340930.db2.gz UYAQZKSDQUMTFB-UHFFFAOYSA-N 1 0 395.223 2.728 20 0 GFADRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C[C@@H]2C(=O)Nc3ccc(Br)cc32)C1 ZINC000822150433 660340978 /nfs/dbraw/zinc/34/09/78/660340978.db2.gz FVFWFHFLMDXUFR-HIFRSBDPSA-N 1 0 394.313 2.816 20 0 GFADRO C[NH+]1CCN(c2ccc(Br)cc2NC(=O)/C=C\[C@H]2CCOC2)CC1 ZINC000822809033 660355013 /nfs/dbraw/zinc/35/50/13/660355013.db2.gz NDBUNPYZXMGKPJ-DQWBNOTDSA-N 1 0 394.313 2.732 20 0 GFADRO C[NH2+]CCc1nc(Cc2cc(Br)c(OC(F)F)c(OC)c2)no1 ZINC000822947624 660358689 /nfs/dbraw/zinc/35/86/89/660358689.db2.gz WEKPHUYIISWIFL-UHFFFAOYSA-N 1 0 392.200 2.795 20 0 GFADRO COc1ccc(Cc2noc([C@H]3C[C@]34CC[NH2+]C4)n2)c(Br)c1OC ZINC000822947719 660358810 /nfs/dbraw/zinc/35/88/10/660358810.db2.gz ZBGJSJSKQAJWNU-DIFFPNOSSA-N 1 0 394.269 2.907 20 0 GFADRO C[NH+](C)CCCOc1cnccc1CNC(=O)c1csc(Br)n1 ZINC000822978290 660359263 /nfs/dbraw/zinc/35/92/63/660359263.db2.gz HHUSIYLMKHQPJD-UHFFFAOYSA-N 1 0 399.314 2.561 20 0 GFADRO C[C@@H]([NH3+])[C@@H](C)c1nc(Cc2cccc(F)c2I)no1 ZINC000822981043 660359324 /nfs/dbraw/zinc/35/93/24/660359324.db2.gz UGMNVPQQAQLGEN-HTQZYQBOSA-N 1 0 375.185 2.855 20 0 GFADRO Fc1cccc(Cc2noc([C@@H]3C[C@]34CC[NH2+]C4)n2)c1I ZINC000822981009 660359364 /nfs/dbraw/zinc/35/93/64/660359364.db2.gz SYDFBWHETLHYBS-BONVTDFDSA-N 1 0 399.207 2.871 20 0 GFADRO COCC1(c2nc(-c3ccc(Br)cc3OC)no2)CC[NH2+]CC1 ZINC000822984933 660359393 /nfs/dbraw/zinc/35/93/93/660359393.db2.gz CCHPATIHBJGUFM-UHFFFAOYSA-N 1 0 382.258 2.775 20 0 GFADRO C[C@H]1[NH2+]CC[C@@H]1c1nc(COc2ccc(I)cc2)no1 ZINC000823167358 660363729 /nfs/dbraw/zinc/36/37/29/660363729.db2.gz FUTXKTDVBFSQAQ-SKDRFNHKSA-N 1 0 385.205 2.719 20 0 GFADRO [NH3+]CC1(Cc2nc(-c3n[nH]c(-c4cccc(Br)c4)n3)no2)CC1 ZINC000823186178 660364445 /nfs/dbraw/zinc/36/44/45/660364445.db2.gz YAQAJPXNABKRJE-UHFFFAOYSA-N 1 0 375.230 2.566 20 0 GFADRO O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC000823298891 660367913 /nfs/dbraw/zinc/36/79/13/660367913.db2.gz ZWZBSFBYVDFCDC-WMLDXEAASA-N 1 0 387.307 2.786 20 0 GFADRO C[NH+](C)CCn1nccc1NC(=O)NC[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC000823589909 660375885 /nfs/dbraw/zinc/37/58/85/660375885.db2.gz PONWWUCAKSTXMN-CQSZACIVSA-N 1 0 386.283 2.607 20 0 GFADRO COc1cccc(CN(CC[NH+](C)C)C(=O)NCCC2SCCS2)c1 ZINC000823612450 660376445 /nfs/dbraw/zinc/37/64/45/660376445.db2.gz BYJHLEYJGUFIEU-UHFFFAOYSA-N 1 0 383.583 2.965 20 0 GFADRO C[C@@H]1C[C@@H](C[NH2+]CCS(=O)(=O)C(C)(C)C)CCN1C(=O)OC(C)(C)C ZINC000823867062 660382020 /nfs/dbraw/zinc/38/20/20/660382020.db2.gz YBGYIDMRHILSKN-CABCVRRESA-N 1 0 376.563 2.825 20 0 GFADRO Cc1[nH]nc(Br)c1C(=O)N[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000824082044 660384945 /nfs/dbraw/zinc/38/49/45/660384945.db2.gz AQFIKVQZBYOXGS-QGZVFWFLSA-N 1 0 377.286 2.875 20 0 GFADRO Cn1ccnc1[C@](O)(C[NH2+]Cc1cc(F)cc(Br)c1)C(F)(F)F ZINC000824091374 660385209 /nfs/dbraw/zinc/38/52/09/660385209.db2.gz IUEMOVCYFRPPMF-CYBMUJFWSA-N 1 0 396.182 2.861 20 0 GFADRO C[NH+]1CCC(N(CCO)C(=O)c2nccc3c(Br)cccc32)CC1 ZINC000824158157 660386398 /nfs/dbraw/zinc/38/63/98/660386398.db2.gz NMNBWDDENHMHNA-UHFFFAOYSA-N 1 0 392.297 2.526 20 0 GFADRO CC(C)[C@H](CNC(=O)OC(C)(C)C)C[N@@H+]1CCCC[C@H](S(C)(=O)=O)C1 ZINC000824297111 660389371 /nfs/dbraw/zinc/38/93/71/660389371.db2.gz PWFRTBJACPBYEO-CVEARBPZSA-N 1 0 376.563 2.682 20 0 GFADRO C[N@H+](CCn1cc(Br)cn1)C[C@@]12C[C@@H]1CN(C(=O)OC(C)(C)C)C2 ZINC000824408343 660391298 /nfs/dbraw/zinc/39/12/98/660391298.db2.gz IRXURAIKHKQMGW-CXAGYDPISA-N 1 0 399.333 2.834 20 0 GFADRO Cc1nn(C)c2nc(Cl)c(C[NH2+]C3CCC(CS(C)(=O)=O)CC3)cc12 ZINC000824534041 660396283 /nfs/dbraw/zinc/39/62/83/660396283.db2.gz YCPSDYLCEYFVLM-UHFFFAOYSA-N 1 0 384.933 2.623 20 0 GFADRO O=C(Cc1c(Cl)cccc1Br)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000824733643 660400200 /nfs/dbraw/zinc/40/02/00/660400200.db2.gz RGNZQKQJKXMQKK-VXGBXAGGSA-N 1 0 387.705 2.624 20 0 GFADRO Cc1nc(SCC(C)C)sc1CC(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000824734570 660400238 /nfs/dbraw/zinc/40/02/38/660400238.db2.gz ZQLDTWMPMHGOAN-GJZGRUSLSA-N 1 0 383.583 2.722 20 0 GFADRO CCOC(=O)C(F)(F)[C@@H]1CC[C@@H]([NH2+]Cc2cccc(S(C)(=O)=O)c2)C1 ZINC000824790335 660402038 /nfs/dbraw/zinc/40/20/38/660402038.db2.gz RUZSBQLASFVKAD-ZIAGYGMSSA-N 1 0 375.437 2.547 20 0 GFADRO CC(C)[N@H+](C)Cc1cc(O[C@@H]2CCN(C(=O)C3(Br)CC3)C2)ccn1 ZINC000824796660 660402158 /nfs/dbraw/zinc/40/21/58/660402158.db2.gz DDZCWZPUOLMOSE-MRXNPFEDSA-N 1 0 396.329 2.829 20 0 GFADRO Cn1nc(Br)cc1C[NH2+][C@@H]1C[C@@H](OC(C)(C)C)[C@H]1n1cccn1 ZINC000825117998 660411179 /nfs/dbraw/zinc/41/11/79/660411179.db2.gz NPACMUHABDGHRJ-NFAWXSAZSA-N 1 0 382.306 2.666 20 0 GFADRO Cn1c(Cl)cnc1C[NH2+]C[C@H](CO)Cc1ccc(F)c(Br)c1 ZINC000825133328 660412109 /nfs/dbraw/zinc/41/21/09/660412109.db2.gz DUHZIKPYNKJGNY-LLVKDONJSA-N 1 0 390.684 2.916 20 0 GFADRO Cn1nc(C(=O)NC2CC[NH+](CCc3ccccc3)CC2)cc1Br ZINC000824977716 660406649 /nfs/dbraw/zinc/40/66/49/660406649.db2.gz PEUCWRQRKZEQCA-UHFFFAOYSA-N 1 0 391.313 2.620 20 0 GFADRO CCn1ncc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C)cc3)C2)c1Br ZINC000825356116 660422541 /nfs/dbraw/zinc/42/25/41/660422541.db2.gz KHDNVJUWOJUBCF-HNNXBMFYSA-N 1 0 391.313 2.978 20 0 GFADRO C[C@@H]1CCC[C@@H](CC[NH+](C)C)N1C(=O)c1cc(Br)cn2ncnc12 ZINC000825586840 660434110 /nfs/dbraw/zinc/43/41/10/660434110.db2.gz LKKHSXDUIKFZNC-OCCSQVGLSA-N 1 0 394.317 2.827 20 0 GFADRO O=C(c1c(Br)nc2n1CCC2)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000825978419 660446872 /nfs/dbraw/zinc/44/68/72/660446872.db2.gz HOJUEHRYTUBAEZ-UHFFFAOYSA-N 1 0 381.318 2.682 20 0 GFADRO C[NH+]1CCC([C@@H]2CCN(c3ccc(Br)cc3-c3nn[nH]n3)C2)CC1 ZINC000826022412 660447891 /nfs/dbraw/zinc/44/78/91/660447891.db2.gz MNNVYQYPRRCFHF-CYBMUJFWSA-N 1 0 391.317 2.797 20 0 GFADRO C[NH+](C)CCNC(=O)c1ccc(CNC(=O)CC[C@H]2CC2(Cl)Cl)cc1 ZINC000826667541 660460720 /nfs/dbraw/zinc/46/07/20/660460720.db2.gz PUVHDNFLANCBRY-HNNXBMFYSA-N 1 0 386.323 2.568 20 0 GFADRO COc1cc(/C=C\C(=O)NCC[N@@H+]2CC[C@@H](C)C2)cc(Br)c1O ZINC000826722228 660462420 /nfs/dbraw/zinc/46/24/20/660462420.db2.gz OVNPEHCMKNHOCH-VSQXVHSFSA-N 1 0 383.286 2.635 20 0 GFADRO C[NH+](C)CCN(Cc1cccs1)C(=O)c1c(Br)nc2n1CCC2 ZINC000826764443 660463905 /nfs/dbraw/zinc/46/39/05/660463905.db2.gz PRQNLUHYARAMET-UHFFFAOYSA-N 1 0 397.342 2.857 20 0 GFADRO CO[C@@H]1CCC[C@@H]([C@H](CO)[NH2+]Cc2nc3ccccn3c2Br)C1 ZINC000826901954 660471038 /nfs/dbraw/zinc/47/10/38/660471038.db2.gz FLBNLZRQRVCGRS-NFAWXSAZSA-N 1 0 382.302 2.753 20 0 GFADRO CC(C)[NH+]1CCC(N2CCN(C(=O)C[C@]3(C)CC3(Cl)Cl)CC2)CC1 ZINC000827118162 660479562 /nfs/dbraw/zinc/47/95/62/660479562.db2.gz UBRDRUUACUOLAD-QGZVFWFLSA-N 1 0 376.372 2.977 20 0 GFADRO C[N@@H+]1CCCC[C@H](CNC(=O)c2cc(Br)c3nccnc3c2)C1 ZINC000827202129 660484019 /nfs/dbraw/zinc/48/40/19/660484019.db2.gz RDKMBNFJJLUOEK-GFCCVEGCSA-N 1 0 377.286 2.854 20 0 GFADRO Cc1cccc(C(=O)N2CC[C@H]3[C@@H](CC[N@H+]3C)C2)c1I ZINC000827339554 660489983 /nfs/dbraw/zinc/48/99/83/660489983.db2.gz UEUXJWCDDJLIJO-JSGCOSHPSA-N 1 0 384.261 2.766 20 0 GFADRO C[N@@H+]1CC[C@H]2CN(C(=O)c3c(F)cccc3I)CC[C@@H]21 ZINC000827300764 660488143 /nfs/dbraw/zinc/48/81/43/660488143.db2.gz NPKNTWKLOCSZEE-GWCFXTLKSA-N 1 0 388.224 2.597 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc(=O)[nH]c4ccc(Br)cc43)CC[C@H]21 ZINC000827309934 660488514 /nfs/dbraw/zinc/48/85/14/660488514.db2.gz IYIGTGBXRNJEHX-BDJLRTHQSA-N 1 0 390.281 2.869 20 0 GFADRO Ic1ccc(NC2CC[NH+](C[C@H]3CCCO3)CC2)nc1 ZINC000827389462 660492992 /nfs/dbraw/zinc/49/29/92/660492992.db2.gz ISOAVSLLWKYPCP-CQSZACIVSA-N 1 0 387.265 2.742 20 0 GFADRO C[C@@]1(CN2CCCN(S(=O)(=O)c3ccccc3)CC2)CC1(Cl)Cl ZINC000827486390 660499198 /nfs/dbraw/zinc/49/91/98/660499198.db2.gz HUJAZHSHDNJLFX-HNNXBMFYSA-N 1 0 377.337 2.967 20 0 GFADRO CC[NH+](CC)[C@H](CNC(=O)c1cc(S(C)(=O)=O)ncc1Cl)CC(C)C ZINC000827487961 660499518 /nfs/dbraw/zinc/49/95/18/660499518.db2.gz APSWJNMNYKEQOA-ZDUSSCGKSA-N 1 0 389.949 2.625 20 0 GFADRO CCOP(=O)(CN(C)S(=O)(=O)c1ccc(C[NH+](C)C)cc1)OCC ZINC000827744553 660512383 /nfs/dbraw/zinc/51/23/83/660512383.db2.gz NNSGDHYWRRKMGE-UHFFFAOYSA-N 1 0 378.431 2.592 20 0 GFADRO COCCN(CC1CC[NH+](C)CC1)C(=O)c1cnc(Br)c(C)c1 ZINC000827836492 660518589 /nfs/dbraw/zinc/51/85/89/660518589.db2.gz FDWZBUMLALFUIU-UHFFFAOYSA-N 1 0 384.318 2.583 20 0 GFADRO C[NH+](C)CCC[C@H]1CN(Cc2ccccc2I)CCO1 ZINC000827849657 660519446 /nfs/dbraw/zinc/51/94/46/660519446.db2.gz HBAOGCIEQVRKJI-HNNXBMFYSA-N 1 0 388.293 2.834 20 0 GFADRO CC[N@H+](CCCC1CCN(C(=O)OC(C)(C)C)CC1)CCS(C)(=O)=O ZINC000828094257 660531295 /nfs/dbraw/zinc/53/12/95/660531295.db2.gz LOMMCDCHADRZHX-UHFFFAOYSA-N 1 0 376.563 2.780 20 0 GFADRO [NH3+][C@H](CC(=O)N1CCC(C(=O)Nc2cccc(Br)c2)CC1)C1CC1 ZINC000828103481 660531848 /nfs/dbraw/zinc/53/18/48/660531848.db2.gz NTMALZDCUGXUDP-MRXNPFEDSA-N 1 0 394.313 2.754 20 0 GFADRO [NH3+]Cc1cc(C(=O)N2CCO[C@@H](c3ccccc3Br)C2)ccn1 ZINC000828121573 660535196 /nfs/dbraw/zinc/53/51/96/660535196.db2.gz FIFIFIYFUPSVAV-MRXNPFEDSA-N 1 0 376.254 2.517 20 0 GFADRO CS[C@H]1CN(C(=O)Nc2nnc(Cc3ccccc3)s2)C[C@@H]1[NH+](C)C ZINC000612748438 651768303 /nfs/dbraw/zinc/76/83/03/651768303.db2.gz FVIYWGJZJLVIKZ-KBPBESRZSA-N 1 0 377.539 2.638 20 0 GFADRO Cc1ccc(Br)c(C(=O)N2CCN(c3cc[nH+]cc3)[C@H](C)C2)n1 ZINC000829215194 660585550 /nfs/dbraw/zinc/58/55/50/660585550.db2.gz MVJHBUMHETUMBS-CYBMUJFWSA-N 1 0 375.270 2.898 20 0 GFADRO CN(CC[NH+]1CC2(C1)CCOCC2)C(=O)c1cc(Br)ccc1F ZINC000829293365 660588052 /nfs/dbraw/zinc/58/80/52/660588052.db2.gz PCWLNWKJKZZLSB-UHFFFAOYSA-N 1 0 385.277 2.773 20 0 GFADRO C[N@H+](C[C@]1(O)CCc2ccccc21)[C@@H](C(N)=O)c1ccc(Br)cc1 ZINC000829365591 660590194 /nfs/dbraw/zinc/59/01/94/660590194.db2.gz IWSCJUSEKJLVRO-IEBWSBKVSA-N 1 0 389.293 2.741 20 0 GFADRO C[NH2+]CCOCCNC(=O)Nc1nnc(-c2cc(Cl)cc(Cl)c2)s1 ZINC000625900167 652375481 /nfs/dbraw/zinc/37/54/81/652375481.db2.gz MMYMJSCUNZBKTF-UHFFFAOYSA-N 1 0 390.296 2.869 20 0 GFADRO C[C@]12CCN(C(=O)[C@H]3C[C@@H]([NH3+])C3(C)C)C[C@H]1C2(Br)Br ZINC000876959620 662868568 /nfs/dbraw/zinc/86/85/68/662868568.db2.gz WKYFHECENNNIDX-PRFIWBCESA-N 1 0 394.151 2.714 20 0 GFADRO [NH3+]CCCCCCCN1C(=O)c2cc(Br)ccc2S1(=O)=O ZINC000830354981 660649981 /nfs/dbraw/zinc/64/99/81/660649981.db2.gz APNXCRYYCNJHOP-UHFFFAOYSA-N 1 0 375.288 2.503 20 0 GFADRO O=S(=O)(Cc1c(F)cccc1Cl)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000830530208 660661765 /nfs/dbraw/zinc/66/17/65/660661765.db2.gz WQVHFHMFQCQSRX-CQSZACIVSA-N 1 0 390.908 2.542 20 0 GFADRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)c2cc(Br)n[nH]2)CC1 ZINC000830862827 660683765 /nfs/dbraw/zinc/68/37/65/660683765.db2.gz FRAAYSUTGWBOEC-NSHDSACASA-N 1 0 378.274 2.523 20 0 GFADRO C[C@@H]1C[C@H](CCNS(=O)(=O)c2c[nH]nc2Cl)C[N@@H+]1Cc1ccccc1 ZINC000830935702 660687201 /nfs/dbraw/zinc/68/72/01/660687201.db2.gz UBWBZNGWKYNLPI-HIFRSBDPSA-N 1 0 382.917 2.642 20 0 GFADRO Cn1nc(C(=O)NC[C@]2(C)CC[N@H+](Cc3ccccc3)C2)cc1Br ZINC000831139656 660698637 /nfs/dbraw/zinc/69/86/37/660698637.db2.gz DVMXWYFSISYWQZ-SFHVURJKSA-N 1 0 391.313 2.825 20 0 GFADRO [NH3+]CCCCCCNC(=O)N[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000831156312 660700240 /nfs/dbraw/zinc/70/02/40/660700240.db2.gz UVHNJTXNNCARBF-HNNXBMFYSA-N 1 0 383.334 2.846 20 0 GFADRO [NH3+]CCCCCCNC(=O)NCCc1ccc(I)s1 ZINC000831123474 660697468 /nfs/dbraw/zinc/69/74/68/660697468.db2.gz SMLKPOSWTVXCNB-UHFFFAOYSA-N 1 0 395.310 2.714 20 0 GFADRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)c1csc(I)n1 ZINC000831454581 660710814 /nfs/dbraw/zinc/71/08/14/660710814.db2.gz RRIYLXODHNGNIZ-VIFPVBQESA-N 1 0 393.294 2.550 20 0 GFADRO CCO[C@H](CNC(=O)Cc1sc(SC(F)(F)F)nc1C)C[NH+](C)C ZINC000831724928 660722931 /nfs/dbraw/zinc/72/29/31/660722931.db2.gz SWJDEPYGOXRANZ-SNVBAGLBSA-N 1 0 385.477 2.689 20 0 GFADRO CCCN(CC[NH+]1CCCCC1)C(=O)c1c(Br)nc2n1CCC2 ZINC000831877951 660733772 /nfs/dbraw/zinc/73/37/72/660733772.db2.gz URGIWTHFRPSVHP-UHFFFAOYSA-N 1 0 383.334 2.930 20 0 GFADRO C[C@H](CCNC(=O)c1csc(I)n1)[NH+]1CCCCC1 ZINC000832115251 660755608 /nfs/dbraw/zinc/75/56/08/660755608.db2.gz QTGLFCVSAKXRGS-SNVBAGLBSA-N 1 0 393.294 2.742 20 0 GFADRO CC(C)[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2cnc(Cl)c(Br)c2)C1 ZINC000832764009 660798814 /nfs/dbraw/zinc/79/88/14/660798814.db2.gz GDOMIHDDSJRSIP-SNVBAGLBSA-N 1 0 396.738 2.601 20 0 GFADRO C[C@@](O)(C[NH2+]CCC(=O)N1CCCCC1)c1ccc(Br)cc1F ZINC000834362494 660816325 /nfs/dbraw/zinc/81/63/25/660816325.db2.gz CCEWNJWRLRZGFK-QGZVFWFLSA-N 1 0 387.293 2.788 20 0 GFADRO Cc1ccc(/C=C\C(=O)N2CCC[C@](O)(C[NH+](C)C)C2)c(Br)c1 ZINC000834569665 660825420 /nfs/dbraw/zinc/82/54/20/660825420.db2.gz SKKMZLPIVLVDBF-ZEVQVBBLSA-N 1 0 381.314 2.686 20 0 GFADRO Cn1nc(-c2nc(-c3ccccc3OCC[NH+](C)C)no2)cc1Br ZINC000834590770 660825698 /nfs/dbraw/zinc/82/56/98/660825698.db2.gz YMBNPBDILHISBP-UHFFFAOYSA-N 1 0 392.257 2.840 20 0 GFADRO [NH3+]CCCN(CC1CCCC1)C(=O)c1cccnc1I ZINC000834770664 660832759 /nfs/dbraw/zinc/83/27/59/660832759.db2.gz KQBURGGAMLYLID-UHFFFAOYSA-N 1 0 387.265 2.667 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)c2cccnc2SC(F)(F)F)CC12CCOCC2 ZINC000834852864 660835347 /nfs/dbraw/zinc/83/53/47/660835347.db2.gz BIBWYZOMVYZALY-NSHDSACASA-N 1 0 375.416 2.521 20 0 GFADRO C[N@H+](CCNC(=O)NC[C@@H](O)c1ccccc1Br)C1CCCC1 ZINC000836285052 660898152 /nfs/dbraw/zinc/89/81/52/660898152.db2.gz RMGWDWMYNCWLKQ-MRXNPFEDSA-N 1 0 384.318 2.656 20 0 GFADRO C[NH+](C)C1(CNC(=O)NC[C@@H](O)c2ccccc2Br)CCCC1 ZINC000836342150 660900514 /nfs/dbraw/zinc/90/05/14/660900514.db2.gz BITVFZCIGOUANS-OAHLLOKOSA-N 1 0 384.318 2.656 20 0 GFADRO C[C@@H](NC(=O)NC[C@H](O)c1ccccc1Br)C(C)(C)C[NH+](C)C ZINC000836351577 660901068 /nfs/dbraw/zinc/90/10/68/660901068.db2.gz KJCPSDDQBZKRSY-DOMZBBRYSA-N 1 0 386.334 2.758 20 0 GFADRO O[C@H](CC[C@H](O)c1ccccc1)C[NH2+]CCCn1cc(Br)cn1 ZINC000905263708 654346458 /nfs/dbraw/zinc/34/64/58/654346458.db2.gz WATORCVSDZDEPQ-SJORKVTESA-N 1 0 382.302 2.500 20 0 GFADRO Cc1c(Br)nccc1NC(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000836676337 660925073 /nfs/dbraw/zinc/92/50/73/660925073.db2.gz IFTHLMIZSRRQCC-TXEJJXNPSA-N 1 0 385.306 2.773 20 0 GFADRO C[NH+]1CCC(n2ccc(NC(=O)Nc3ccnc(Br)c3)n2)CC1 ZINC000836694887 660931876 /nfs/dbraw/zinc/93/18/76/660931876.db2.gz QRQFTYBLAGEAJZ-UHFFFAOYSA-N 1 0 379.262 2.951 20 0 GFADRO Cc1cc(Br)nc(NC(=O)N2CC[N@H+](C3CCOCC3)C[C@H]2C)c1 ZINC000836767184 660942065 /nfs/dbraw/zinc/94/20/65/660942065.db2.gz XDLBZIIGZJQKPX-CYBMUJFWSA-N 1 0 397.317 2.870 20 0 GFADRO CC(C)(CNS(=O)(=O)c1ccc(Br)cc1)[NH+]1CCCCC1 ZINC000026885413 654560461 /nfs/dbraw/zinc/56/04/61/654560461.db2.gz PESNWAMJGYZHKQ-UHFFFAOYSA-N 1 0 375.332 2.992 20 0 GFADRO CCNC(=S)C(C(=O)c1ccc(OC)c(Cl)c1)[n+]1cccc(CO)c1 ZINC000027055821 654562112 /nfs/dbraw/zinc/56/21/12/654562112.db2.gz JIRAOIBWZRWLMW-UHFFFAOYSA-O 1 0 379.889 2.677 20 0 GFADRO CC(C)C[N@H+](CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1)C1CC1 ZINC000027110351 654562397 /nfs/dbraw/zinc/56/23/97/654562397.db2.gz WBCBCCXEOSDIAP-UHFFFAOYSA-N 1 0 387.933 2.649 20 0 GFADRO CC[NH+]1CCN(CC(C)(C)NC(=O)/C=C\c2ccc(Br)o2)CC1 ZINC000837134060 660972363 /nfs/dbraw/zinc/97/23/63/660972363.db2.gz DFFFKEIYMQUXJQ-VURMDHGXSA-N 1 0 384.318 2.588 20 0 GFADRO COCC[N@@H+]1CCCN(C(=O)c2cc(Br)ccc2Cl)CC1 ZINC000037991433 654616229 /nfs/dbraw/zinc/61/62/29/654616229.db2.gz COWVWMYQELYYGO-UHFFFAOYSA-N 1 0 375.694 2.897 20 0 GFADRO CCCOc1ccc(Br)cc1C[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC000037982570 654616372 /nfs/dbraw/zinc/61/63/72/654616372.db2.gz AKNBTPADGHXQRT-LBPRGKRZSA-N 1 0 376.316 2.762 20 0 GFADRO C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)C[C@H](C)O1 ZINC000041275505 654625372 /nfs/dbraw/zinc/62/53/72/654625372.db2.gz JIPYIEDTMNPYNG-TXEJJXNPSA-N 1 0 388.295 2.547 20 0 GFADRO CC(C)[C@H](CNC(=S)NCCSc1ccccc1)[NH+]1CCN(C)CC1 ZINC000042668546 654642018 /nfs/dbraw/zinc/64/20/18/654642018.db2.gz CRISMAGIMMIVHS-SFHVURJKSA-N 1 0 380.627 2.515 20 0 GFADRO C[NH+](C)C1(CNC(=O)/C=C/c2ccc(I)o2)CCCC1 ZINC000042762945 654644173 /nfs/dbraw/zinc/64/41/73/654644173.db2.gz SHKCQPFQUCNALH-SOFGYWHQSA-N 1 0 388.249 2.888 20 0 GFADRO C[C@]1(CNC(=O)NCC2([NH+]3CCOCC3)CCCCC2)CC1(Cl)Cl ZINC000837343373 660987620 /nfs/dbraw/zinc/98/76/20/660987620.db2.gz KYSNWSJQBSFIPX-OAHLLOKOSA-N 1 0 378.344 2.905 20 0 GFADRO C[C@@H](CNC(=O)c1c(Br)nc2n1CCCC2)[N@@H+]1CCC[C@H](C)C1 ZINC000837346599 660987867 /nfs/dbraw/zinc/98/78/67/660987867.db2.gz SDTHIVMYEYPYAI-STQMWFEESA-N 1 0 383.334 2.832 20 0 GFADRO COc1ccc(Br)c(C(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000047432680 654694828 /nfs/dbraw/zinc/69/48/28/654694828.db2.gz NRGBKUGGNWBCCU-CHWSQXEVSA-N 1 0 385.302 2.687 20 0 GFADRO CC(C)(C)[NH+]1CCC(NC(=O)c2c(Br)nc3n2CCCC3)CC1 ZINC000837353090 660988581 /nfs/dbraw/zinc/98/85/81/660988581.db2.gz QFCHYZPQBVNULC-UHFFFAOYSA-N 1 0 383.334 2.975 20 0 GFADRO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)c1cc(Br)ccc1F ZINC000048402011 654706346 /nfs/dbraw/zinc/70/63/46/654706346.db2.gz CLUUJJKZZIOKBU-UHFFFAOYSA-N 1 0 386.309 2.686 20 0 GFADRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)c1c(Br)nc2n1CCCC2 ZINC000837403187 660993418 /nfs/dbraw/zinc/99/34/18/660993418.db2.gz BFYFPZRNMTZSQA-BETUJISGSA-N 1 0 383.334 2.975 20 0 GFADRO COc1ccc(I)c(NC(=O)N[C@@H]2CCC[N@H+](C)C2)c1 ZINC000051648416 654727119 /nfs/dbraw/zinc/72/71/19/654727119.db2.gz KKVWBZOUEAOSEB-SNVBAGLBSA-N 1 0 389.237 2.516 20 0 GFADRO CCCC[NH+](CCCC)CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl ZINC000122314097 654733310 /nfs/dbraw/zinc/73/33/10/654733310.db2.gz ZFIZNDRMZPBALW-UHFFFAOYSA-N 1 0 375.922 2.828 20 0 GFADRO C[C@H](C[NH+]1CCCCC1)NC(=O)Cc1cccc(I)c1 ZINC000122912363 654746562 /nfs/dbraw/zinc/74/65/62/654746562.db2.gz IWFDCXUIFBFVJL-CYBMUJFWSA-N 1 0 386.277 2.824 20 0 GFADRO C[C@H]1C[C@@H](N(C)C(=O)c2ccc(F)cc2I)CC[N@@H+]1C ZINC000123057136 654751780 /nfs/dbraw/zinc/75/17/80/654751780.db2.gz BYJQHZSICGGDQO-JQWIXIFHSA-N 1 0 390.240 2.985 20 0 GFADRO Cc1ccc(Br)c(NC(=O)C(=O)N[C@@H](C)C[NH+]2CCCCC2)c1 ZINC000123451294 654756144 /nfs/dbraw/zinc/75/61/44/654756144.db2.gz BCLDETZHGGIFNI-ZDUSSCGKSA-N 1 0 382.302 2.687 20 0 GFADRO Cc1cc(NC(=O)C[NH2+]C2(c3ccc(Br)cc3)CCOCC2)on1 ZINC000054394331 654759913 /nfs/dbraw/zinc/75/99/13/654759913.db2.gz DJVTZLMICMGILW-UHFFFAOYSA-N 1 0 394.269 2.980 20 0 GFADRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2Cn2nc(Br)c(=O)c3ccccc32)C1 ZINC000124336015 654774439 /nfs/dbraw/zinc/77/44/39/654774439.db2.gz WLABRAFIFFDADZ-UKRRQHHQSA-N 1 0 391.313 2.533 20 0 GFADRO CCOc1cc(Br)c(CC(=O)N2CC[NH2+]C[C@H]2C)cc1OCC ZINC000124544187 654777703 /nfs/dbraw/zinc/77/77/03/654777703.db2.gz XSJCNYWZFDETMW-GFCCVEGCSA-N 1 0 385.302 2.609 20 0 GFADRO CN(C(=O)[C@@H]1CC1(Cl)Cl)[C@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000124607345 654779518 /nfs/dbraw/zinc/77/95/18/654779518.db2.gz OTDIBGHBRUBQHJ-XHSDSOJGSA-N 1 0 376.372 2.976 20 0 GFADRO CC[NH+]1CCN([C@H](C)CNC(=O)c2cc3c(cccc3Br)[nH]2)CC1 ZINC000124621002 654779861 /nfs/dbraw/zinc/77/98/61/654779861.db2.gz AZYSUIQJEOYDHM-CYBMUJFWSA-N 1 0 393.329 2.686 20 0 GFADRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NNC(=O)c1ccccc1Br ZINC000056785674 654797959 /nfs/dbraw/zinc/79/79/59/654797959.db2.gz CHEIVYTWNVESFN-CHWSQXEVSA-N 1 0 397.317 2.514 20 0 GFADRO CN1CC[NH+](CC2CCN(C(=O)c3ccc(F)cc3Br)CC2)CC1 ZINC000057065900 654799337 /nfs/dbraw/zinc/79/93/37/654799337.db2.gz LKDBKZYGZKUMBN-UHFFFAOYSA-N 1 0 398.320 2.688 20 0 GFADRO O[C@H](COc1ccc(Cl)cc1Br)CN1CC[NH+](C2CC2)CC1 ZINC000125790456 654802152 /nfs/dbraw/zinc/80/21/52/654802152.db2.gz HEHPOZWWMUGHQG-AWEZNQCLSA-N 1 0 389.721 2.622 20 0 GFADRO C[C@@H](CNC(=O)Cc1csc(NC(=O)c2cccs2)n1)[N@H+](C)C1CC1 ZINC000057715227 654808767 /nfs/dbraw/zinc/80/87/67/654808767.db2.gz NKXCELCMAJMILE-NSHDSACASA-N 1 0 378.523 2.598 20 0 GFADRO Cc1cc(S(=O)(=O)NCC[N@H+]2CCCC[C@@H]2C)ccc1Br ZINC000058561827 654819858 /nfs/dbraw/zinc/81/98/58/654819858.db2.gz DPRNXQLMHPEXQE-ZDUSSCGKSA-N 1 0 375.332 2.910 20 0 GFADRO CC[C@H](C)[N@H+](C)CCNS(=O)(=O)c1cc(N(C)C)ccc1Br ZINC000126825551 654822059 /nfs/dbraw/zinc/82/20/59/654822059.db2.gz JWSNAELPYWKWTI-LBPRGKRZSA-N 1 0 392.363 2.524 20 0 GFADRO CC(C)CN(CC[NH+](C)C)C(=O)/C=C/c1ccc(I)o1 ZINC000058885724 654823612 /nfs/dbraw/zinc/82/36/12/654823612.db2.gz BKKIBFDTSDRTTQ-SOFGYWHQSA-N 1 0 390.265 2.944 20 0 GFADRO CCOc1c(Br)cc(C(=O)NC[C@@H]2CC[N@H+](CC)C2)cc1OC ZINC000058926242 654824087 /nfs/dbraw/zinc/82/40/87/654824087.db2.gz BJLZRKQBWUZKMG-LBPRGKRZSA-N 1 0 385.302 2.928 20 0 GFADRO O=S(=O)(NC1CC[NH+](CCc2ccccn2)CC1)c1ccc(Cl)cc1 ZINC000058959073 654824634 /nfs/dbraw/zinc/82/46/34/654824634.db2.gz WCMGYRBDBMSLLX-UHFFFAOYSA-N 1 0 379.913 2.720 20 0 GFADRO O=S(=O)(NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1cc(F)ccc1Cl ZINC000127526855 654831481 /nfs/dbraw/zinc/83/14/81/654831481.db2.gz JFMQIGPCOFJMAA-HOTGVXAUSA-N 1 0 390.908 2.525 20 0 GFADRO CC(C)(C)[NH2+]CCNC(=O)C(=O)Nc1ccc(Br)c(Cl)c1 ZINC000127960962 654838621 /nfs/dbraw/zinc/83/86/21/654838621.db2.gz JACHGCSHMHKEIS-UHFFFAOYSA-N 1 0 376.682 2.545 20 0 GFADRO C[NH+](C)C1CCN(C(=O)c2ccc(F)cc2I)CC1 ZINC000061520661 654840059 /nfs/dbraw/zinc/84/00/59/654840059.db2.gz QPAFGSOPVVDDIV-UHFFFAOYSA-N 1 0 376.213 2.597 20 0 GFADRO CC(=O)N[C@@H](CC(=O)NCCC[NH+]1CCCC1)c1ccc(Br)cc1 ZINC000061548179 654840411 /nfs/dbraw/zinc/84/04/11/654840411.db2.gz BWYQFIHNSAEVDG-KRWDZBQOSA-N 1 0 396.329 2.619 20 0 GFADRO C[NH+](C)CCn1cc(NC(=O)C2(c3cccc(Br)c3)CC2)cn1 ZINC000061635291 654841097 /nfs/dbraw/zinc/84/10/97/654841097.db2.gz SONKYVJUPFDEOC-UHFFFAOYSA-N 1 0 377.286 2.878 20 0 GFADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)C1(c2ccc(Br)cc2)CCC1 ZINC000061649845 654841477 /nfs/dbraw/zinc/84/14/77/654841477.db2.gz FJOGISBQOFQABB-DLBZAZTESA-N 1 0 393.325 2.850 20 0 GFADRO Cc1nc(NC(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)ccc1Br ZINC000128458347 654847411 /nfs/dbraw/zinc/84/74/11/654847411.db2.gz JLZPXWOYBROQFH-ZDUSSCGKSA-N 1 0 397.317 2.775 20 0 GFADRO Cc1nc(NC(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)ccc1Br ZINC000128458550 654847503 /nfs/dbraw/zinc/84/75/03/654847503.db2.gz JLZPXWOYBROQFH-CYBMUJFWSA-N 1 0 397.317 2.775 20 0 GFADRO CN1CC[NH+](CCCCNC(=O)c2cc3ccc(Br)cc3[nH]2)CC1 ZINC000063739558 654857028 /nfs/dbraw/zinc/85/70/28/654857028.db2.gz OOUCKMUHSWHJRG-UHFFFAOYSA-N 1 0 393.329 2.688 20 0 GFADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3cccc(I)c3)CC[C@@H]21 ZINC000129119580 654857401 /nfs/dbraw/zinc/85/74/01/654857401.db2.gz PJIZBFZYVHQCCM-HIFRSBDPSA-N 1 0 384.261 2.848 20 0 GFADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)[C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 ZINC000266181539 654861244 /nfs/dbraw/zinc/86/12/44/654861244.db2.gz YUFTYZNQJWQYTO-PMPSAXMXSA-N 1 0 384.307 2.553 20 0 GFADRO Cc1cc(Br)c(S(=O)(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)s1 ZINC000266218652 654864027 /nfs/dbraw/zinc/86/40/27/654864027.db2.gz RREOMUGHQDQYHJ-JOYOIKCWSA-N 1 0 381.361 2.780 20 0 GFADRO O=S(=O)(c1ccc(Cl)s1)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000064345242 654866760 /nfs/dbraw/zinc/86/67/60/654866760.db2.gz HSUYDNZEJOXYCA-UHFFFAOYSA-N 1 0 378.947 2.525 20 0 GFADRO CCO[C@@H](CC[NH+](C)C)CNC(=O)Nc1cc(Br)ccc1OC ZINC000129551698 654866870 /nfs/dbraw/zinc/86/68/70/654866870.db2.gz AEGBZRYFCCFZSS-ZDUSSCGKSA-N 1 0 388.306 2.936 20 0 GFADRO C[C@H]([NH2+]C1CCN(S(=O)(=O)C2CCOCC2)CC1)c1cccc(Cl)c1 ZINC000129618241 654868578 /nfs/dbraw/zinc/86/85/78/654868578.db2.gz WZLZHKTYGGVYLU-AWEZNQCLSA-N 1 0 386.945 2.964 20 0 GFADRO CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCN(c3ccccc3Cl)C2=O)C1 ZINC000266430142 654878725 /nfs/dbraw/zinc/87/87/25/654878725.db2.gz CVEVJPDJXXVMIO-SQWLQELKSA-N 1 0 384.929 2.781 20 0 GFADRO CCOc1c(Br)cc(Cl)cc1NC(=O)C[C@H]1COCC[NH2+]1 ZINC000130188847 654882924 /nfs/dbraw/zinc/88/29/24/654882924.db2.gz LXXBNKDWMBJZQE-JTQLQIEISA-N 1 0 377.666 2.818 20 0 GFADRO O=C(c1ccc(Br)cn1)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000266653209 654888593 /nfs/dbraw/zinc/88/85/93/654888593.db2.gz OJFVNWSUMMMGAT-UHFFFAOYSA-N 1 0 382.302 2.561 20 0 GFADRO O=C(N[C@@H]1CCOc2ccc(Br)cc21)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000266680550 654889690 /nfs/dbraw/zinc/88/96/90/654889690.db2.gz CMUAIPFVXQUQLM-GOEBONIOSA-N 1 0 392.297 2.928 20 0 GFADRO CC(C)N(C)S(=O)(=O)N(CC[NH+](C)C)Cc1cccc(C(F)(F)F)c1 ZINC000065972252 654891603 /nfs/dbraw/zinc/89/16/03/654891603.db2.gz LVXVCCQLESHJFA-UHFFFAOYSA-N 1 0 381.464 2.654 20 0 GFADRO Cc1nn(C)c(Br)c1C(=O)Nc1ccc(OCC[NH+](C)C)c(C)c1 ZINC000838175748 661032045 /nfs/dbraw/zinc/03/20/45/661032045.db2.gz QSCHYVBBZANPLO-UHFFFAOYSA-N 1 0 395.301 2.992 20 0 GFADRO C[NH+](C)CCN(Cc1ccc(F)cc1F)S(=O)(=O)c1ccc(Cl)nc1 ZINC000065972613 654891968 /nfs/dbraw/zinc/89/19/68/654891968.db2.gz UFWVSLULQFVOEQ-UHFFFAOYSA-N 1 0 389.855 2.766 20 0 GFADRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC(C[NH+]3CCCCCC3)CC2)s1 ZINC000066000470 654892297 /nfs/dbraw/zinc/89/22/97/654892297.db2.gz NWPFWVDIZXCIFN-UHFFFAOYSA-N 1 0 387.527 2.933 20 0 GFADRO Cc1ccc(S(=O)(=O)N(C)C2CC[NH+](C3CCOCC3)CC2)cc1Cl ZINC000066103489 654894593 /nfs/dbraw/zinc/89/45/93/654894593.db2.gz IIYPDSBMMYDNNQ-UHFFFAOYSA-N 1 0 386.945 2.912 20 0 GFADRO O=C(NCCOc1cccc(Br)c1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000066187497 654896312 /nfs/dbraw/zinc/89/63/12/654896312.db2.gz GNXVQYVXZSCGSF-OAHLLOKOSA-N 1 0 382.302 2.708 20 0 GFADRO NC(=O)[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1c(Cl)cccc1C(F)(F)F ZINC000131184118 654897879 /nfs/dbraw/zinc/89/78/79/654897879.db2.gz OJAMOFJVPUGXBU-SKDRFNHKSA-N 1 0 377.794 2.931 20 0 GFADRO CC[N@H+](CC(=O)N[C@H](CC(=O)OC)c1cccc(Br)c1)C1CC1 ZINC000131448465 654907534 /nfs/dbraw/zinc/90/75/34/654907534.db2.gz CLONIYOREKPDJN-OAHLLOKOSA-N 1 0 383.286 2.654 20 0 GFADRO CC(=O)Nc1ccc(S(=O)(=O)NC[C@@H](C)C[NH+]2CCCCC2)cc1Cl ZINC000267157446 654913917 /nfs/dbraw/zinc/91/39/17/654913917.db2.gz FYEPDCHPAKPYFE-CYBMUJFWSA-N 1 0 387.933 2.699 20 0 GFADRO COCC[N@@H+](Cc1ccc(F)cc1Cl)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000131711750 654914805 /nfs/dbraw/zinc/91/48/05/654914805.db2.gz GEFQOAWESSXAFM-AWEZNQCLSA-N 1 0 392.924 2.599 20 0 GFADRO O[C@@H](COc1ccc(Br)cc1)C[N@@H+]1CC[C@H](Oc2ccncc2)C1 ZINC000131768311 654917566 /nfs/dbraw/zinc/91/75/66/654917566.db2.gz PUEQILKZCDPEJN-QAPCUYQASA-N 1 0 393.281 2.737 20 0 GFADRO Cc1csc([C@](O)(CC(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)C(F)(F)F)n1 ZINC000267314479 654923471 /nfs/dbraw/zinc/92/34/71/654923471.db2.gz UKYDDCJSDWENBI-SLEUVZQESA-N 1 0 379.448 2.581 20 0 GFADRO O[C@H](C[NH2+]Cc1cccs1)COc1ccc(I)cc1 ZINC000066992961 654924711 /nfs/dbraw/zinc/92/47/11/654924711.db2.gz CHQDNHHLYXJVRA-GFCCVEGCSA-N 1 0 389.258 2.882 20 0 GFADRO C[C@H]1C[C@H](NC(=O)Cn2cc(Br)cn2)CC[N@@H+]1Cc1ccccc1 ZINC000267435169 654928468 /nfs/dbraw/zinc/92/84/68/654928468.db2.gz FWNVWZCJGXVAEO-WMLDXEAASA-N 1 0 391.313 2.815 20 0 GFADRO O=C(NCc1ccc(Br)cc1)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000132235325 654929985 /nfs/dbraw/zinc/92/99/85/654929985.db2.gz HGRBTSDVWKUVNZ-OAHLLOKOSA-N 1 0 396.329 2.749 20 0 GFADRO O=C(C[NH2+][C@]1(CO)CCc2ccccc21)Nc1ccc(Br)cc1F ZINC000132345727 654934453 /nfs/dbraw/zinc/93/44/53/654934453.db2.gz RHINSPODDKYDRN-SFHVURJKSA-N 1 0 393.256 2.950 20 0 GFADRO C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)CNC(=O)C1CC1 ZINC000067282474 654934868 /nfs/dbraw/zinc/93/48/68/654934868.db2.gz KFPNRFSNTLLYKH-UHFFFAOYSA-N 1 0 386.323 2.800 20 0 GFADRO C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@@H]1CCNC(=O)C1 ZINC000132408484 654936802 /nfs/dbraw/zinc/93/68/02/654936802.db2.gz KZPYLLNIYSPXEA-CQSZACIVSA-N 1 0 386.323 2.800 20 0 GFADRO CC(=O)NC[C@@H]1CCC[N@H+](CC(=O)NCCc2cccc(Cl)c2Cl)C1 ZINC000067412889 654938451 /nfs/dbraw/zinc/93/84/51/654938451.db2.gz OOGMYMDVIUDWLR-AWEZNQCLSA-N 1 0 386.323 2.500 20 0 GFADRO CCS(=O)(=O)N(C)CCC[NH2+][C@@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000132543665 654941021 /nfs/dbraw/zinc/94/10/21/654941021.db2.gz AGIBUKBERPUFLE-CQSZACIVSA-N 1 0 379.448 2.739 20 0 GFADRO C[C@H](CNC(=O)C(=O)Nc1cccc(Br)c1)[NH+]1CCC(C)CC1 ZINC000067764246 654944878 /nfs/dbraw/zinc/94/48/78/654944878.db2.gz BLIBBEGOZXTHHW-CYBMUJFWSA-N 1 0 382.302 2.624 20 0 GFADRO O=C(NC1CC[NH+](CCOc2ccc(F)cc2)CC1)[C@H]1CSCCS1 ZINC000267890930 654950355 /nfs/dbraw/zinc/95/03/55/654950355.db2.gz UESAKMMFIROUBF-QGZVFWFLSA-N 1 0 384.542 2.634 20 0 GFADRO Cc1cc(NC(=O)c2cnn(C)c2I)ccc1C[NH+](C)C ZINC000838276409 661035323 /nfs/dbraw/zinc/03/53/23/661035323.db2.gz XONRZCOZZKWGJO-UHFFFAOYSA-N 1 0 398.248 2.647 20 0 GFADRO CCC[NH+]1CCC(NS(=O)(=O)c2ccc(Br)cc2C)CC1 ZINC000133241092 654957848 /nfs/dbraw/zinc/95/78/48/654957848.db2.gz XKUXZQVVQXRAFZ-UHFFFAOYSA-N 1 0 375.332 2.910 20 0 GFADRO COC(=O)c1cc(S(=O)(=O)N(C)C2CC[NH+](C(C)C)CC2)ccc1Cl ZINC000268104762 654959066 /nfs/dbraw/zinc/95/90/66/654959066.db2.gz CUOSSKKWMHGPAA-UHFFFAOYSA-N 1 0 388.917 2.620 20 0 GFADRO C[NH+](C)[C@@H]1CCCN(C(=O)CSc2nncn2-c2cccc(Cl)c2)C1 ZINC000068340894 654960303 /nfs/dbraw/zinc/96/03/03/654960303.db2.gz XQELUIQENHWELO-OAHLLOKOSA-N 1 0 379.917 2.565 20 0 GFADRO O=S(=O)(c1sccc1Br)N1CCC([NH2+]CC2CC2)CC1 ZINC000133648250 654969437 /nfs/dbraw/zinc/96/94/37/654969437.db2.gz KZPWWIOQVLUMKP-UHFFFAOYSA-N 1 0 379.345 2.663 20 0 GFADRO O=S(=O)(c1ccc(Br)s1)N1CCC([NH2+]CC2CC2)CC1 ZINC000133646561 654969490 /nfs/dbraw/zinc/96/94/90/654969490.db2.gz BBSSYTMORQWPIQ-UHFFFAOYSA-N 1 0 379.345 2.663 20 0 GFADRO CCCOc1c(Cl)cc(C[NH2+]CC(C)(C)NS(C)(=O)=O)cc1OCC ZINC000068989925 654971159 /nfs/dbraw/zinc/97/11/59/654971159.db2.gz XCTLGZPTVONQJM-UHFFFAOYSA-N 1 0 392.949 2.945 20 0 GFADRO CO[C@@H](CNC(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1)C(F)(F)F ZINC000838470832 661047109 /nfs/dbraw/zinc/04/71/09/661047109.db2.gz FUOMWMKLAWDGGI-NSHDSACASA-N 1 0 379.345 2.622 20 0 GFADRO CCO[C@@H]1C[C@]([NH3+])(C(=O)Nc2cccc(I)c2)C1(C)C ZINC000133888960 654976439 /nfs/dbraw/zinc/97/64/39/654976439.db2.gz SAJGEQYARIJSCS-DOMZBBRYSA-N 1 0 388.249 2.762 20 0 GFADRO CCO[C@@H]1C[C@@]([NH3+])(C(=O)Nc2ccc(I)cc2)C1(C)C ZINC000133888577 654976465 /nfs/dbraw/zinc/97/64/65/654976465.db2.gz JYAOHSRLJNWMKU-IUODEOHRSA-N 1 0 388.249 2.762 20 0 GFADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)N(C)C[C@@H](O)c1ccccc1Br ZINC000838517281 661048544 /nfs/dbraw/zinc/04/85/44/661048544.db2.gz GMUDWPBJXWEKDC-WMLDXEAASA-N 1 0 398.345 2.998 20 0 GFADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)c1cc2c(cccc2Br)[nH]1 ZINC000069502196 654982221 /nfs/dbraw/zinc/98/22/21/654982221.db2.gz MWHKVDTVZAMQHJ-LBPRGKRZSA-N 1 0 380.286 2.771 20 0 GFADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)CCOc1ccc(Cl)cc1Cl ZINC000069577491 654983654 /nfs/dbraw/zinc/98/36/54/654983654.db2.gz LCLNGENMFASGNI-CQSZACIVSA-N 1 0 375.296 2.989 20 0 GFADRO C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCN2C(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000134140359 654984348 /nfs/dbraw/zinc/98/43/48/654984348.db2.gz SKRIINYLWIHWBX-CJNGLKHVSA-N 1 0 384.307 2.808 20 0 GFADRO O=C(Cc1cccc(Br)c1)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000069746199 654986088 /nfs/dbraw/zinc/98/60/88/654986088.db2.gz HMFFOXKIPNWXRK-MRXNPFEDSA-N 1 0 381.314 2.562 20 0 GFADRO Brc1cncnc1Sc1nnc([C@@H]2CCC[NH2+]C2)n1C1CC1 ZINC000268791723 654986931 /nfs/dbraw/zinc/98/69/31/654986931.db2.gz GQQDKEJXCCWDON-SECBINFHSA-N 1 0 381.303 2.784 20 0 GFADRO CN(C)c1ncc(C[NH2+]C[C@@H](O)COc2ccccc2Br)s1 ZINC000268820818 654988158 /nfs/dbraw/zinc/98/81/58/654988158.db2.gz XMGYBUJBEUBWHL-LLVKDONJSA-N 1 0 386.315 2.501 20 0 GFADRO CS(=O)(=O)N1CCC([NH2+][C@H]2CCc3c2c(Br)ccc3F)CC1 ZINC000134306308 654990120 /nfs/dbraw/zinc/99/01/20/654990120.db2.gz BHLRAOIQSXGEGY-AWEZNQCLSA-N 1 0 391.306 2.589 20 0 GFADRO Cc1c(C[NH+]2CCC(C(=O)Nc3ccc(Br)cn3)CC2)cnn1C ZINC000268922636 654991385 /nfs/dbraw/zinc/99/13/85/654991385.db2.gz UBDDKYPTWLOMSL-UHFFFAOYSA-N 1 0 392.301 2.737 20 0 GFADRO COCC[C@@](C)(O)C[NH2+][C@@H](C)c1nnn(-c2cccc(Br)c2)c1C ZINC000268929856 654991461 /nfs/dbraw/zinc/99/14/61/654991461.db2.gz QNWLYKLEJZIATL-YVEFUNNKSA-N 1 0 397.317 2.776 20 0 GFADRO COc1cccc([C@@H](CNc2ncc(I)cn2)[NH+](C)C)c1 ZINC000134504975 654994587 /nfs/dbraw/zinc/99/45/87/654994587.db2.gz PYYGQGGNEXMWCU-CQSZACIVSA-N 1 0 398.248 2.805 20 0 GFADRO CCOC(=O)CNC(=O)C1CC[NH+]([C@H](C)c2cccc(Br)c2)CC1 ZINC000134528990 654995394 /nfs/dbraw/zinc/99/53/94/654995394.db2.gz LEDDHFAXXGWGIK-CYBMUJFWSA-N 1 0 397.313 2.901 20 0 GFADRO CCOC(=O)CNC(=O)C1CC[NH+]([C@H](C)c2ccc(Br)cc2)CC1 ZINC000134540645 654996101 /nfs/dbraw/zinc/99/61/01/654996101.db2.gz RDKYLWMIMGCNBK-CYBMUJFWSA-N 1 0 397.313 2.901 20 0 GFADRO CC1CCN(C(=S)SCC(=O)Nc2ccn(-c3cc[nH+]cc3)n2)CC1 ZINC000071028456 654998534 /nfs/dbraw/zinc/99/85/34/654998534.db2.gz GPZMXYAGIAVCEK-UHFFFAOYSA-N 1 0 375.523 2.956 20 0 GFADRO C[C@@H]1CN(C(=O)C2(c3ccc(Br)cc3)CCOCC2)CC[C@H]1[NH3+] ZINC000269259277 655003425 /nfs/dbraw/zinc/00/34/25/655003425.db2.gz IUTPUGWSQVAWJH-CZUORRHYSA-N 1 0 381.314 2.693 20 0 GFADRO CN1CC[NH+](CCC(C)(C)NC(=O)NCC[C@@]2(C)CC2(Cl)Cl)CC1 ZINC000838682551 661054071 /nfs/dbraw/zinc/05/40/71/661054071.db2.gz RPTXAQKMEFFNCL-INIZCTEOSA-N 1 0 379.376 2.676 20 0 GFADRO O=C(C[NH+]1CCCC1)N1CCN(Cc2cnc(-c3ccsc3)s2)CC1 ZINC000093046848 655016664 /nfs/dbraw/zinc/01/66/64/655016664.db2.gz TZSAYMPXLAVEBM-UHFFFAOYSA-N 1 0 376.551 2.612 20 0 GFADRO C[N@@H+]1CCC[C@H](CCNC(=O)NC[C@H](O)c2cccc(Br)c2)C1 ZINC000838768128 661056497 /nfs/dbraw/zinc/05/64/97/661056497.db2.gz APGSMAKYYHCJQR-CJNGLKHVSA-N 1 0 384.318 2.514 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)c1cnn2cc(Br)cnc12)c1ccccc1 ZINC000093902019 655021881 /nfs/dbraw/zinc/02/18/81/655021881.db2.gz FQAJOQYWUBZCOF-OAHLLOKOSA-N 1 0 388.269 2.525 20 0 GFADRO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)c1cccnc1Br ZINC000135617868 655022870 /nfs/dbraw/zinc/02/28/70/655022870.db2.gz YUGDAVHOUFPUHG-CJNGLKHVSA-N 1 0 389.297 2.880 20 0 GFADRO C[NH+](C)[C@H]1CC[C@@H](NC(=O)c2cnn(-c3ccc(Br)cc3)c2)C1 ZINC000093986459 655025690 /nfs/dbraw/zinc/02/56/90/655025690.db2.gz NQKFLFANSNBWBS-ZBFHGGJFSA-N 1 0 377.286 2.847 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@@H](NC(=O)c2cnn(-c3ccc(Br)cc3)c2)C1 ZINC000093986458 655025766 /nfs/dbraw/zinc/02/57/66/655025766.db2.gz NQKFLFANSNBWBS-GDBMZVCRSA-N 1 0 377.286 2.847 20 0 GFADRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)c2cnn3cc(Br)cnc23)C1 ZINC000094013469 655026022 /nfs/dbraw/zinc/02/60/22/655026022.db2.gz CITXBGHJCBVCNS-STQMWFEESA-N 1 0 394.317 2.590 20 0 GFADRO CC(C)(C)CC[NH+]1CCN(C(=O)c2cnn3cc(Br)cnc23)CC1 ZINC000094034919 655026149 /nfs/dbraw/zinc/02/61/49/655026149.db2.gz TXSACJLOVMDNOW-UHFFFAOYSA-N 1 0 394.317 2.686 20 0 GFADRO Cc1ncc(S(=O)(=O)N2CCC(C[N@@H+](C)Cc3ccccc3)CC2)s1 ZINC000269954313 655028797 /nfs/dbraw/zinc/02/87/97/655028797.db2.gz HUCITHUJXAFDGP-UHFFFAOYSA-N 1 0 379.551 2.984 20 0 GFADRO CN(CCCN1CC[NH+](C)CC1)C(=O)c1ccc(Cl)c(Br)c1 ZINC000269982122 655030021 /nfs/dbraw/zinc/03/00/21/655030021.db2.gz WLULBHPTTPPWMW-UHFFFAOYSA-N 1 0 388.737 2.812 20 0 GFADRO CC[NH+]1CCN([C@H]2CCN(C(=O)Nc3cc(F)ccc3Br)C2)CC1 ZINC000136441315 655031429 /nfs/dbraw/zinc/03/14/29/655031429.db2.gz PQJJUAXNTIFIOG-AWEZNQCLSA-N 1 0 399.308 2.832 20 0 GFADRO C[NH+](C)CCn1cc(NC(=O)c2cc(F)cc(Br)c2)ccc1=O ZINC000270045499 655032456 /nfs/dbraw/zinc/03/24/56/655032456.db2.gz BGTKWGLFMVOGEB-UHFFFAOYSA-N 1 0 382.233 2.564 20 0 GFADRO CC[NH+]1CCN(C[C@@H](C)CNS(=O)(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000096999578 655033103 /nfs/dbraw/zinc/03/31/03/655033103.db2.gz VWLJRCUSPOYVDO-ZDUSSCGKSA-N 1 0 394.368 2.545 20 0 GFADRO C[C@H]1C[NH+](CCCNC(=O)Cc2cc(F)ccc2Br)C[C@H](C)O1 ZINC000137120893 655037970 /nfs/dbraw/zinc/03/79/70/655037970.db2.gz SDKMEKUYQHTLTQ-STQMWFEESA-N 1 0 387.293 2.746 20 0 GFADRO C[NH+]1CCC([C@H]2CCN(C(=O)C(=O)Nc3ccc(Br)cc3)C2)CC1 ZINC000270230096 655038084 /nfs/dbraw/zinc/03/80/84/655038084.db2.gz MAQIIMZPXZRAFB-AWEZNQCLSA-N 1 0 394.313 2.578 20 0 GFADRO COc1cc(C(=O)NC[C@@]2([NH+](C)C)CCSC2)sc1Br ZINC000270330386 655041193 /nfs/dbraw/zinc/04/11/93/655041193.db2.gz BOIKCWVPVYIMRV-ZDUSSCGKSA-N 1 0 379.345 2.686 20 0 GFADRO C[NH+]1CCC(CNC(=O)c2[nH]nc(-c3ccccc3)c2Br)CC1 ZINC000101522403 655042387 /nfs/dbraw/zinc/04/23/87/655042387.db2.gz MSJPDVFMVZIFOK-UHFFFAOYSA-N 1 0 377.286 2.911 20 0 GFADRO C[NH+](C)[C@]1(CNC(=O)c2cc(N3CCCC3=O)ccc2Cl)CCSC1 ZINC000270461152 655045504 /nfs/dbraw/zinc/04/55/04/655045504.db2.gz FSEMRBUBODINMN-SFHVURJKSA-N 1 0 381.929 2.634 20 0 GFADRO CS[C@H]1CN(C(=O)CCCc2nc(-c3cccs3)no2)C[C@H]1[NH+](C)C ZINC000270472337 655045787 /nfs/dbraw/zinc/04/57/87/655045787.db2.gz MAWPZLDQRBQHJN-OCCSQVGLSA-N 1 0 380.539 2.625 20 0 GFADRO COc1cc(C(=O)N2C[C@@H](SC)[C@@H]([NH+](C)C)C2)sc1Br ZINC000270740563 655054694 /nfs/dbraw/zinc/05/46/94/655054694.db2.gz AAUDTIPJJHAGKE-GZMMTYOYSA-N 1 0 379.345 2.637 20 0 GFADRO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)NCC(C)(C)[NH+](C)C ZINC000151210347 655048964 /nfs/dbraw/zinc/04/89/64/655048964.db2.gz XQWZYHIPMQYQOZ-UHFFFAOYSA-N 1 0 381.270 2.934 20 0 GFADRO COc1ccc(CNC(=O)N2CC[NH+](CC(C)C)CC2)cc1Br ZINC000102052989 655050137 /nfs/dbraw/zinc/05/01/37/655050137.db2.gz VRWOTICUOIEFSE-UHFFFAOYSA-N 1 0 384.318 2.941 20 0 GFADRO COCC[N@@H+]1CCCN(C(=O)[C@H](C)Cc2ccc(Br)cc2)CC1 ZINC000270821552 655056913 /nfs/dbraw/zinc/05/69/13/655056913.db2.gz OFMDOTNBJOHQBU-OAHLLOKOSA-N 1 0 383.330 2.808 20 0 GFADRO CCc1ccc(S(=O)(=O)N2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)s1 ZINC000102660993 655057391 /nfs/dbraw/zinc/05/73/91/655057391.db2.gz UMEUXQFYTGAAMA-GASCZTMLSA-N 1 0 386.583 2.820 20 0 GFADRO C[C@@H](C(=O)Nc1ccc(=O)n(CC[NH+](C)C)c1)c1ccc(Br)cc1 ZINC000270863807 655058087 /nfs/dbraw/zinc/05/80/87/655058087.db2.gz ACMAWUKYDQOKSJ-CYBMUJFWSA-N 1 0 392.297 2.915 20 0 GFADRO COCC[N@@H+]1CCCN(C(=O)c2c[nH]c3cccc(Br)c23)CC1 ZINC000270859760 655058185 /nfs/dbraw/zinc/05/81/85/655058185.db2.gz ZGIZXNRIQYLPRT-UHFFFAOYSA-N 1 0 380.286 2.725 20 0 GFADRO COC(=O)[C@@H]1CC12CC[NH+](Cc1cnc3ccc(Br)cn13)CC2 ZINC000271178298 655068946 /nfs/dbraw/zinc/06/89/46/655068946.db2.gz KHORMFUMOMUNMX-AWEZNQCLSA-N 1 0 378.270 2.872 20 0 GFADRO CCCN1C(=O)C(=O)N(C[NH2+]C2(c3cccc(Br)c3)CCC2)C1=O ZINC000103264911 655070195 /nfs/dbraw/zinc/07/01/95/655070195.db2.gz AHBQURLIIKGFTN-UHFFFAOYSA-N 1 0 394.269 2.576 20 0 GFADRO NC(=O)C[C@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc(Br)cc1F ZINC000103286689 655070540 /nfs/dbraw/zinc/07/05/40/655070540.db2.gz IHNHHHZPUCKLAV-GFCCVEGCSA-N 1 0 386.265 2.647 20 0 GFADRO C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1CCC(=O)Nc1ccc(Br)cc1F ZINC000103284499 655070556 /nfs/dbraw/zinc/07/05/56/655070556.db2.gz YGOUTFGOMLDPSR-GHMZBOCLSA-N 1 0 386.265 2.503 20 0 GFADRO C[NH+]1CCC(CCNC(=O)NCc2cc3c(c(Br)c2)OCO3)CC1 ZINC000103310733 655070787 /nfs/dbraw/zinc/07/07/87/655070787.db2.gz VTGRHMDAVFAAOQ-UHFFFAOYSA-N 1 0 398.301 2.709 20 0 GFADRO CN(Cc1ccccc1Br)C(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000103509943 655074081 /nfs/dbraw/zinc/07/40/81/655074081.db2.gz KDLYTQMYQMGCGW-UHFFFAOYSA-N 1 0 397.361 2.618 20 0 GFADRO CC[N@H+](CCOc1ccc(Br)cc1)CC1CCS(=O)(=O)CC1 ZINC000271340318 655076622 /nfs/dbraw/zinc/07/66/22/655076622.db2.gz XAFZUPBJHKIAAP-UHFFFAOYSA-N 1 0 390.343 2.975 20 0 GFADRO CCS(=O)(=O)N(C)CCCNC(=[NH2+])N[C@@H](C)c1ccc(Cl)cc1Cl ZINC000104172946 655079242 /nfs/dbraw/zinc/07/92/42/655079242.db2.gz BMOBLSYZUMFZEX-NSHDSACASA-N 1 0 395.356 2.630 20 0 GFADRO C[C@H](Oc1ccc(Cl)cc1Br)C(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000104188835 655079498 /nfs/dbraw/zinc/07/94/98/655079498.db2.gz SJPJEXAAPNZIIM-QWRGUYRKSA-N 1 0 375.694 2.938 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(I)c(F)c1 ZINC000104832013 655087262 /nfs/dbraw/zinc/08/72/62/655087262.db2.gz ZGPNUIOWRZMSHS-NSHDSACASA-N 1 0 376.213 2.644 20 0 GFADRO C[NH+](C)[C@@H]1CCCN(C(=O)CCNC(=O)Nc2ccc(Br)cc2)C1 ZINC000105326055 655090781 /nfs/dbraw/zinc/09/07/81/655090781.db2.gz HSJBJTXTKNHFFK-OAHLLOKOSA-N 1 0 397.317 2.513 20 0 GFADRO C[NH+](C)[C@H]1CCCN(C(=O)[C@@]23CCC(=O)N2c2cc(Cl)ccc2S3)C1 ZINC000105328101 655090789 /nfs/dbraw/zinc/09/07/89/655090789.db2.gz RYVBWPVUVQLSEG-UGSOOPFHSA-N 1 0 379.913 2.821 20 0 GFADRO C[NH+](C)C[C@H](Cc1ccccc1)N[C@H](C(N)=O)c1ccc(Br)cc1 ZINC000105401616 655092596 /nfs/dbraw/zinc/09/25/96/655092596.db2.gz UXPXOMLPSJFGJZ-ROUUACIJSA-N 1 0 390.325 2.738 20 0 GFADRO Cc1ccc(C[NH2+][C@@H]2CCO[C@]3(CCS(=O)(=O)C3)C2)c(Br)c1 ZINC000271824246 655095755 /nfs/dbraw/zinc/09/57/55/655095755.db2.gz ADNRQAZUVSBUEQ-GDBMZVCRSA-N 1 0 388.327 2.583 20 0 GFADRO O=S1(=O)CC[C@]2(C1)C[C@@H]([NH2+]Cc1ccc(OC(F)F)c(Cl)c1)CCO2 ZINC000271919095 655098610 /nfs/dbraw/zinc/09/86/10/655098610.db2.gz BNTWBKKCEHDVAA-BLLLJJGKSA-N 1 0 395.855 2.767 20 0 GFADRO O=S1(=O)CC[C@]2(C1)C[C@H]([NH2+]Cc1nc(-c3ccccc3)cs1)CCO2 ZINC000271962659 655099501 /nfs/dbraw/zinc/09/95/01/655099501.db2.gz GGEZKKVGVKMICA-CRAIPNDOSA-N 1 0 378.519 2.636 20 0 GFADRO O=C(C[C@@H]1CSCCS1)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000157308551 655099944 /nfs/dbraw/zinc/09/99/44/655099944.db2.gz OKTJXXMZXJCBRD-GOSISDBHSA-N 1 0 379.595 2.554 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)[C@H]1CSCN1C(=O)C1CCCC1)c1cccs1 ZINC000106355191 655106843 /nfs/dbraw/zinc/10/68/43/655106843.db2.gz BILWWLCUKSGCMJ-LSDHHAIUSA-N 1 0 381.567 2.559 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)CCC[S@@](=O)c2ccc(Br)cc2)C1 ZINC000272314999 655108727 /nfs/dbraw/zinc/10/87/27/655108727.db2.gz SJGIZMACVZSTPH-UAGWRWDDSA-N 1 0 387.343 2.533 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)N1CCC([N@H+](C)CCO)CC1 ZINC000272392611 655110945 /nfs/dbraw/zinc/11/09/45/655110945.db2.gz WAQPSXHGNHDCNP-UHFFFAOYSA-N 1 0 384.318 2.986 20 0 GFADRO O=C(CNC(=O)c1ccc(Cl)c(Cl)c1)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000106790838 655111316 /nfs/dbraw/zinc/11/13/16/655111316.db2.gz WKSSDZCTZZCQCY-ZDUSSCGKSA-N 1 0 384.307 2.856 20 0 GFADRO Cc1c(I)cccc1C(=O)N1CC[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000272413290 655111706 /nfs/dbraw/zinc/11/17/06/655111706.db2.gz FWECNVMYJVTMTG-IUODEOHRSA-N 1 0 384.261 2.766 20 0 GFADRO C[N@@H+]1CC[C@H]2CCN(C(=O)c3cn(-c4ccc(Br)cc4)cn3)[C@H]2C1 ZINC000272491206 655114875 /nfs/dbraw/zinc/11/48/75/655114875.db2.gz NBOJYAIUDDGQSQ-GUYCJALGSA-N 1 0 389.297 2.801 20 0 GFADRO CCOc1ccc(Br)cc1NC(=O)N[C@@H](C)CN1CC[NH+](C)CC1 ZINC000106946011 655115609 /nfs/dbraw/zinc/11/56/09/655115609.db2.gz GFAZKFVZSMQIPH-ZDUSSCGKSA-N 1 0 399.333 2.605 20 0 GFADRO COC(=O)c1ccc(C[NH2+]Cc2cc(Br)c(OC)c(OC)c2)[nH]1 ZINC000272751025 655120486 /nfs/dbraw/zinc/12/04/86/655120486.db2.gz NLWQJNFAGPZNKV-UHFFFAOYSA-N 1 0 383.242 2.871 20 0 GFADRO Cc1ccc(C(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)cc1I ZINC000272809996 655122091 /nfs/dbraw/zinc/12/20/91/655122091.db2.gz VWQXSFUNMSRLPJ-LBPRGKRZSA-N 1 0 384.261 2.980 20 0 GFADRO O=C(c1csc(I)c1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000107587650 655122562 /nfs/dbraw/zinc/12/25/62/655122562.db2.gz NSRKUXXQYZFFFJ-LLVKDONJSA-N 1 0 376.263 2.663 20 0 GFADRO Cc1ccc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)nc2)c(Br)n1 ZINC000161675185 655128384 /nfs/dbraw/zinc/12/83/84/655128384.db2.gz YXEXOTZBFVHPSI-UHFFFAOYSA-N 1 0 390.285 2.552 20 0 GFADRO C[C@]1([NH2+]CCS(=O)(=O)c2cccc(Br)c2)CCO[C@@H]1C1CC1 ZINC000273049058 655128572 /nfs/dbraw/zinc/12/85/72/655128572.db2.gz KDLRDMDQVLSLTI-CVEARBPZSA-N 1 0 388.327 2.770 20 0 GFADRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)c2sccc2S(=O)(=O)C(F)F)C1 ZINC000108258918 655129777 /nfs/dbraw/zinc/12/97/77/655129777.db2.gz SKIYLGZYQSWACU-RYUDHWBXSA-N 1 0 394.509 2.842 20 0 GFADRO CNC(=O)C1CCC([NH2+]Cc2cn(-c3ccc(Cl)c(Cl)c3)nn2)CC1 ZINC000273124479 655131192 /nfs/dbraw/zinc/13/11/92/655131192.db2.gz RWYHUTZZMWIVNW-UHFFFAOYSA-N 1 0 382.295 2.969 20 0 GFADRO C[C@H]([NH2+][C@@H](C)c1cnn(C)c1)C(=O)Nc1ccc(I)cc1 ZINC000273273763 655137428 /nfs/dbraw/zinc/13/74/28/655137428.db2.gz GXNAKLJPHGZDQS-QWRGUYRKSA-N 1 0 398.248 2.703 20 0 GFADRO CCCS(=O)(=O)N1CCC([NH2+]Cc2ccc(OC(F)F)c(F)c2)CC1 ZINC000168051423 655143015 /nfs/dbraw/zinc/14/30/15/655143015.db2.gz FCHBRPSRYWQAED-UHFFFAOYSA-N 1 0 380.432 2.721 20 0 GFADRO CCOC(=O)CCC[N@@H+]1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000109867810 655153629 /nfs/dbraw/zinc/15/36/29/655153629.db2.gz DDYYKOMJWXZQTI-CYBMUJFWSA-N 1 0 398.301 2.838 20 0 GFADRO CCS(=O)(=O)c1ccc(Cl)c(C(=O)NCCC[NH+]2CCC(C)CC2)c1 ZINC000110042769 655154739 /nfs/dbraw/zinc/15/47/39/655154739.db2.gz QUASKFFDANUZGW-UHFFFAOYSA-N 1 0 386.945 2.985 20 0 GFADRO O=S(=O)(NCC[C@@H]1CCC[NH2+]C1)c1ccc(Br)cc1Cl ZINC000110792437 655159898 /nfs/dbraw/zinc/15/98/98/655159898.db2.gz GQVQAACOISGQSB-JTQLQIEISA-N 1 0 381.723 2.771 20 0 GFADRO C[C@@H]1C[C@@H]([NH2+][C@H](CO)c2ccccc2I)C[C@H](C)O1 ZINC000934827775 664925356 /nfs/dbraw/zinc/92/53/56/664925356.db2.gz JCGSBKXRVAPQAY-NWJSVONSSA-N 1 0 375.250 2.870 20 0 GFADRO C[C@@H]1C[C@@H](N(C)C(=O)Nc2ccncc2I)CC[N@@H+]1C ZINC000273865269 655161424 /nfs/dbraw/zinc/16/14/24/655161424.db2.gz OSJWGFWATABIKB-MNOVXSKESA-N 1 0 388.253 2.633 20 0 GFADRO CN(C[C@@H]1CCC[N@H+](C)C1)S(=O)(=O)c1ccc(Br)c(F)c1 ZINC000173156217 655164011 /nfs/dbraw/zinc/16/40/11/655164011.db2.gz ZWYFLPNEEOHWHM-LLVKDONJSA-N 1 0 379.295 2.551 20 0 GFADRO C[C@H]1C[C@H](N(C)S(=O)(=O)c2cc(Br)ccc2F)CC[N@@H+]1C ZINC000173274379 655166523 /nfs/dbraw/zinc/16/65/23/655166523.db2.gz LGMBODAUFKIKIX-CMPLNLGQSA-N 1 0 379.295 2.691 20 0 GFADRO COc1ccc(S(=O)(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1Br ZINC000173277390 655166899 /nfs/dbraw/zinc/16/68/99/655166899.db2.gz RZTQCJTWNVYUEG-VXGBXAGGSA-N 1 0 391.331 2.561 20 0 GFADRO O=S(=O)(Cc1ccc(OC(F)(F)F)cc1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000111338235 655168798 /nfs/dbraw/zinc/16/87/98/655168798.db2.gz LDDYZMOSFUETPY-CQSZACIVSA-N 1 0 378.416 2.585 20 0 GFADRO CC[NH+](CC)C[C@H]1CCN(Cn2nc(N(C(C)=O)C3CC3)sc2=S)C1 ZINC000173430179 655171751 /nfs/dbraw/zinc/17/17/51/655171751.db2.gz VBTBNCNMXZEHAC-CQSZACIVSA-N 1 0 383.587 2.811 20 0 GFADRO COCCC[NH+]1CCC(NC(=O)[C@H](C)Oc2cccc(Br)c2)CC1 ZINC000173440487 655172475 /nfs/dbraw/zinc/17/24/75/655172475.db2.gz XVWLRNBDWWNKPE-AWEZNQCLSA-N 1 0 399.329 2.834 20 0 GFADRO CCC[N@H+](C)C[C@H]1CCN(Cn2nc(N(C(C)=O)C3CC3)sc2=S)C1 ZINC000173447602 655172940 /nfs/dbraw/zinc/17/29/40/655172940.db2.gz GSJRKXWEEVRCJQ-CQSZACIVSA-N 1 0 383.587 2.811 20 0 GFADRO C[NH+]1CCN(c2ccc(NC(=O)c3ccc(F)c(Br)c3)nc2)CC1 ZINC000173554076 655174839 /nfs/dbraw/zinc/17/48/39/655174839.db2.gz AINBOUONJDKLOB-UHFFFAOYSA-N 1 0 393.260 2.987 20 0 GFADRO COc1c(Br)cc(Cl)cc1S(=O)(=O)N[C@H](C[NH3+])CC(C)C ZINC000111829772 655177673 /nfs/dbraw/zinc/17/76/73/655177673.db2.gz NNAIAFPQFUTWCR-JTQLQIEISA-N 1 0 399.738 2.763 20 0 GFADRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)COc1ccc(C=O)cc1Br ZINC000173777514 655180622 /nfs/dbraw/zinc/18/06/22/655180622.db2.gz NPVBCRBRQXUAHL-ZIAGYGMSSA-N 1 0 397.313 2.877 20 0 GFADRO CC[N@H+](C)C[C@H]1CCN(CC(=O)N(C)Cc2ccccc2Br)C1 ZINC000173904560 655184615 /nfs/dbraw/zinc/18/46/15/655184615.db2.gz PRCBUQFFKMZAAS-OAHLLOKOSA-N 1 0 382.346 2.681 20 0 GFADRO C[C@H](Cc1ccc(Br)cc1)NC(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000173921001 655185535 /nfs/dbraw/zinc/18/55/35/655185535.db2.gz RIPWONUBMJEFEU-CYBMUJFWSA-N 1 0 394.317 2.960 20 0 GFADRO C[C@@H](Cc1ccc(Br)cc1)NC(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000173920990 655185596 /nfs/dbraw/zinc/18/55/96/655185596.db2.gz RIPWONUBMJEFEU-ZDUSSCGKSA-N 1 0 394.317 2.960 20 0 GFADRO C[NH+](C)CCn1ccc(NC(=O)NC[C@@H](O)c2cc(Cl)cc(Cl)c2)n1 ZINC000173934294 655186760 /nfs/dbraw/zinc/18/67/60/655186760.db2.gz UWSAQKSYQSSNRD-CQSZACIVSA-N 1 0 386.283 2.607 20 0 GFADRO CC[NH+]1CCN(c2cccc(NC(=O)c3cnn(C)c3Br)c2)CC1 ZINC000274449453 655189224 /nfs/dbraw/zinc/18/92/24/655189224.db2.gz GYSORJFKKDBQKI-UHFFFAOYSA-N 1 0 392.301 2.577 20 0 GFADRO CC[NH+]1CCC(CCNC(=O)c2cc(S(=O)(=O)CC)ccc2Cl)CC1 ZINC000174101320 655192347 /nfs/dbraw/zinc/19/23/47/655192347.db2.gz MGGYWYSUYKPXCY-UHFFFAOYSA-N 1 0 386.945 2.985 20 0 GFADRO COCC[NH+]1CCC(NC(=O)Nc2cnc(Cl)c(Br)c2)CC1 ZINC000274539082 655192371 /nfs/dbraw/zinc/19/23/71/655192371.db2.gz ZSHXWBBDTFVPMQ-UHFFFAOYSA-N 1 0 391.697 2.730 20 0 GFADRO CNC(=O)c1cccc(C[N@H+](C)C[C@@H](O)c2cccc(Br)c2)c1 ZINC000839640495 661097886 /nfs/dbraw/zinc/09/78/86/661097886.db2.gz LISMYVNMFXEXBM-QGZVFWFLSA-N 1 0 377.282 2.974 20 0 GFADRO C[N@@H+](CCc1ccc(Br)cc1)CCN1C(=O)NC2(CCCC2)C1=O ZINC000112690586 655194953 /nfs/dbraw/zinc/19/49/53/655194953.db2.gz VXIOAJNRZUUBRB-UHFFFAOYSA-N 1 0 394.313 2.788 20 0 GFADRO CC[NH+]1CCN([C@@H](C)CNC(=O)[C@H](C)Oc2cccc(Cl)c2Cl)CC1 ZINC000112917530 655199764 /nfs/dbraw/zinc/19/97/64/655199764.db2.gz MTZIQPITPRGLAP-KBPBESRZSA-N 1 0 388.339 2.903 20 0 GFADRO CCS(=O)(=O)c1c(Cl)cccc1C[NH2+][C@@H]1CCC[C@@H](C(=O)N(C)C)C1 ZINC000274752149 655200005 /nfs/dbraw/zinc/20/00/05/655200005.db2.gz FGSPLDOJFMAPFM-UKRRQHHQSA-N 1 0 386.945 2.870 20 0 GFADRO CCN1CC[NH+](C[C@H](C)CNC(=O)NCc2ccccc2Br)CC1 ZINC000174427846 655202559 /nfs/dbraw/zinc/20/25/59/655202559.db2.gz JPGIOCCZVOQRMR-OAHLLOKOSA-N 1 0 397.361 2.522 20 0 GFADRO C[C@H]1C[C@H](N(C)C(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)CC[N@@H+]1C ZINC000174582145 655204452 /nfs/dbraw/zinc/20/44/52/655204452.db2.gz LWRKIWLBJBZZGY-WCQYABFASA-N 1 0 375.441 2.629 20 0 GFADRO Cc1nc(NC(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)ccc1Br ZINC000274952948 655208694 /nfs/dbraw/zinc/20/86/94/655208694.db2.gz HGJCGBRTCVUSBV-LSDHHAIUSA-N 1 0 397.317 2.652 20 0 GFADRO C[C@H]1SCC[N@H+](CCC(=O)Nc2sc3c(c2C(N)=O)CCCC3)[C@@H]1C ZINC000839497588 661087597 /nfs/dbraw/zinc/08/75/97/661087597.db2.gz OFZBCNRMPGXVAS-VXGBXAGGSA-N 1 0 381.567 2.880 20 0 GFADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N[C@@H]1CCc2c1ccc(Cl)c2Cl ZINC000113408775 655209773 /nfs/dbraw/zinc/20/97/73/655209773.db2.gz JHMBPWHFNIPCRC-BLLLJJGKSA-N 1 0 385.339 2.916 20 0 GFADRO CS[C@@H]1CN(C[C@@H](O)c2ccc(Br)cc2)C[C@H]1[NH+]1CCCC1 ZINC000275003687 655210896 /nfs/dbraw/zinc/21/08/96/655210896.db2.gz AYINUNKLBSPKEA-BRWVUGGUSA-N 1 0 385.371 2.994 20 0 GFADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)Cc2cc3c(cc2Br)OCCO3)C1 ZINC000175002012 655212127 /nfs/dbraw/zinc/21/21/27/655212127.db2.gz DHQLNWYPNUTLPR-ZDUSSCGKSA-N 1 0 397.313 2.563 20 0 GFADRO COc1ccc(Br)c(S(=O)(=O)NCC[NH+](C(C)C)C(C)C)c1 ZINC000175196040 655215174 /nfs/dbraw/zinc/21/51/74/655215174.db2.gz UMZFNVFMYLMPPY-UHFFFAOYSA-N 1 0 393.347 2.855 20 0 GFADRO Cc1nn(C)c(Cl)c1S(=O)(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000113945284 655216200 /nfs/dbraw/zinc/21/62/00/655216200.db2.gz LYIFONGDHVXYPG-ZFWWWQNUSA-N 1 0 388.965 2.657 20 0 GFADRO COc1cc(Br)c(OCC[N@H+](C)C[C@H](C)O)cc1Br ZINC000175264661 655217087 /nfs/dbraw/zinc/21/70/87/655217087.db2.gz OIDNMRGAZLLESI-VIFPVBQESA-N 1 0 397.107 2.912 20 0 GFADRO CS[C@H]1CN(C(=O)c2cc(NC(C)=O)ccc2Cl)C[C@@H]1[NH+]1CCCC1 ZINC000275156872 655220091 /nfs/dbraw/zinc/22/00/91/655220091.db2.gz TWLUMALLQVJKSR-IRXDYDNUSA-N 1 0 381.929 2.950 20 0 GFADRO CC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2cccc(Br)c2C)C1 ZINC000175316552 655220322 /nfs/dbraw/zinc/22/03/22/655220322.db2.gz BMQIHCOIAXTDRV-ZDUSSCGKSA-N 1 0 375.332 2.720 20 0 GFADRO C[C@H](CNC(=O)Cc1csc(-c2ccc(Cl)s2)n1)N1CC[NH+](C)CC1 ZINC000114384487 655223064 /nfs/dbraw/zinc/22/30/64/655223064.db2.gz RSABFAQWERWSON-GFCCVEGCSA-N 1 0 398.985 2.820 20 0 GFADRO C[N@@H+](C[C@H](O)c1cccc(Br)c1)C[C@H](O)COCc1ccccc1 ZINC000114462666 655224621 /nfs/dbraw/zinc/22/46/21/655224621.db2.gz HOPGLYDUAQGPFD-OALUTQOASA-N 1 0 394.309 2.992 20 0 GFADRO O=S(=O)(NC[C@@H](c1cccs1)[NH+]1CCCC1)c1c[nH]c2ncccc12 ZINC000114735445 655227780 /nfs/dbraw/zinc/22/77/80/655227780.db2.gz OLSVXURVQXQVCW-AWEZNQCLSA-N 1 0 376.507 2.740 20 0 GFADRO CC(C)(CNC(=O)c1cc(I)c[nH]1)[NH+]1CCCCC1 ZINC000115318529 655234944 /nfs/dbraw/zinc/23/49/44/655234944.db2.gz YUFTUIJKYRABJI-UHFFFAOYSA-N 1 0 375.254 2.614 20 0 GFADRO C[C@H]1CSCC[N@H+](CCC(=O)Nc2sc3c(c2C(N)=O)CCCC3)C1 ZINC000839578119 661093136 /nfs/dbraw/zinc/09/31/36/661093136.db2.gz BCICCZFJYLFLDN-GFCCVEGCSA-N 1 0 381.567 2.739 20 0 GFADRO C[NH+](C)CC[C@H](NC(=O)C(=O)Nc1ccc(Br)cc1)C(C)(C)C ZINC000116589885 655249742 /nfs/dbraw/zinc/24/97/42/655249742.db2.gz RKYKWABHTDVHHL-AWEZNQCLSA-N 1 0 384.318 2.870 20 0 GFADRO CS[C@@H]1CN(C(=O)c2cc(Br)ncc2Cl)C[C@H]1[NH+](C)C ZINC000275756583 655249781 /nfs/dbraw/zinc/24/97/81/655249781.db2.gz UYDMTWDNLPVKFZ-GHMZBOCLSA-N 1 0 378.723 2.615 20 0 GFADRO COc1ccc2c(c1)[C@@H]([NH2+]C[C@H](O)CS(=O)(=O)c1cccs1)CCS2 ZINC000276112943 655263005 /nfs/dbraw/zinc/26/30/05/655263005.db2.gz IDOXYBWKAYATIZ-WFASDCNBSA-N 1 0 399.559 2.718 20 0 GFADRO C[NH+](C)CCCOC1CCN(C(=O)COc2ccc(Br)cc2)CC1 ZINC000177081026 655267588 /nfs/dbraw/zinc/26/75/88/655267588.db2.gz ZLVHMWJNDRNAOG-UHFFFAOYSA-N 1 0 399.329 2.787 20 0 GFADRO Cc1cccc(C(=O)N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)c1I ZINC000177090907 655267954 /nfs/dbraw/zinc/26/79/54/655267954.db2.gz RBVHGMHNUKTZLB-RYUDHWBXSA-N 1 0 384.261 2.955 20 0 GFADRO O=S(=O)(Cc1ccccc1)N1CCC([NH2+]Cc2cccnc2Cl)CC1 ZINC000117948183 655270712 /nfs/dbraw/zinc/27/07/12/655270712.db2.gz FXZOZYPRHAKIPK-UHFFFAOYSA-N 1 0 379.913 2.819 20 0 GFADRO Cc1ccc(NC(=O)C(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)cc1Br ZINC000118112464 655271894 /nfs/dbraw/zinc/27/18/94/655271894.db2.gz FSDWMOXIXQNMBH-CQSZACIVSA-N 1 0 396.329 2.933 20 0 GFADRO CC[N@H+](CCNC(=O)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C1CC1 ZINC000118121832 655272132 /nfs/dbraw/zinc/27/21/32/655272132.db2.gz MVZXSNPQUWCRJR-UHFFFAOYSA-N 1 0 377.794 2.898 20 0 GFADRO O=C(NC1CC[NH+](C2CCCCC2)CC1)c1c[nH]c(=O)c(Br)c1 ZINC000177271733 655272283 /nfs/dbraw/zinc/27/22/83/655272283.db2.gz IFBYQJDVGFFEPY-UHFFFAOYSA-N 1 0 382.302 2.664 20 0 GFADRO CCCCC[N@H+](CCO)CC(=O)Nc1ccccc1I ZINC000118825699 655282831 /nfs/dbraw/zinc/28/28/31/655282831.db2.gz UURAHEWGJBMMLM-UHFFFAOYSA-N 1 0 390.265 2.714 20 0 GFADRO C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)C1 ZINC000118897918 655283317 /nfs/dbraw/zinc/28/33/17/655283317.db2.gz PIGJAXDDGVDNAW-JTQLQIEISA-N 1 0 377.794 2.755 20 0 GFADRO CC(C)[N@H+](C)CCCNC(=O)C(=O)Nc1cc(F)cc(F)c1Br ZINC000276736565 655285576 /nfs/dbraw/zinc/28/55/76/655285576.db2.gz JXUSIOCYBUHODL-UHFFFAOYSA-N 1 0 392.244 2.512 20 0 GFADRO O=C(C[N@H+]1CCCN(Cc2ccc(Br)c(F)c2)CC1)N1CCCC1 ZINC000177682236 655285759 /nfs/dbraw/zinc/28/57/59/655285759.db2.gz YNKAKIJLACZIBV-UHFFFAOYSA-N 1 0 398.320 2.718 20 0 GFADRO C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CCCO[C@@H]1CCOC1 ZINC000119030709 655287299 /nfs/dbraw/zinc/28/72/99/655287299.db2.gz OQAKCXRRIHZQSZ-XJKSGUPXSA-N 1 0 385.302 2.951 20 0 GFADRO COC(=O)CC(C)(C)[NH2+]CC(=O)Nc1ccc(Br)cc1Cl ZINC000177923049 655291645 /nfs/dbraw/zinc/29/16/45/655291645.db2.gz ZUPPWZHMQJDODK-UHFFFAOYSA-N 1 0 377.666 2.972 20 0 GFADRO C[C@@H](Cn1cc(Br)cn1)[NH2+]CC(=O)N1CCCc2ccccc21 ZINC000177983236 655293390 /nfs/dbraw/zinc/29/33/90/655293390.db2.gz OGVZKBXSJVHFOC-ZDUSSCGKSA-N 1 0 377.286 2.603 20 0 GFADRO CC(C)(C)S(=O)(=O)N1CCC([NH2+]Cc2cc(Cl)cc3c2OCC3)CC1 ZINC000276970500 655295683 /nfs/dbraw/zinc/29/56/83/655295683.db2.gz RDGZKFIMVQGXEL-UHFFFAOYSA-N 1 0 386.945 2.957 20 0 GFADRO CC(=O)Nc1ccc(S(=O)(=O)NCC(C)(C)C[NH+]2CCCC2)cc1Cl ZINC000276999027 655297422 /nfs/dbraw/zinc/29/74/22/655297422.db2.gz GGXKVGGEVOLOHP-UHFFFAOYSA-N 1 0 387.933 2.699 20 0 GFADRO Cc1nc(C)c([C@H](C)[NH2+]CC2CCN(S(=O)(=O)C(F)(F)F)CC2)s1 ZINC000178108312 655298007 /nfs/dbraw/zinc/29/80/07/655298007.db2.gz QEXHFJAKTAVWIX-VIFPVBQESA-N 1 0 385.477 2.972 20 0 GFADRO Cc1cc(Br)c(S(=O)(=O)N2CCC[C@@H]([NH+](C)C)CC2)s1 ZINC000277040453 655299840 /nfs/dbraw/zinc/29/98/40/655299840.db2.gz OZDAHHLJMSNUBI-LLVKDONJSA-N 1 0 381.361 2.924 20 0 GFADRO C[C@@H](Cn1cc(Br)cn1)[NH2+][C@H]1CCCN(c2ccccc2)C1=O ZINC000178251287 655300149 /nfs/dbraw/zinc/30/01/49/655300149.db2.gz IEYBHSVWFYLAOP-BBRMVZONSA-N 1 0 377.286 2.819 20 0 GFADRO COc1ccc([C@@H](C)[NH2+]CCCN2C(=O)NC(C)(C)C2=O)cc1Br ZINC000178258334 655300657 /nfs/dbraw/zinc/30/06/57/655300657.db2.gz SJOBBLBPJCHQJH-LLVKDONJSA-N 1 0 398.301 2.829 20 0 GFADRO C[NH+](C)[C@H]1CCCN(C(=O)Nc2ccc(NS(C)(=O)=O)c(Cl)c2)CC1 ZINC000277058288 655300819 /nfs/dbraw/zinc/30/08/19/655300819.db2.gz JENHYRGPDUQDHH-ZDUSSCGKSA-N 1 0 388.921 2.660 20 0 GFADRO CC(C)(C)n1cc(C[NH2+]C[C@@H](CO)Cc2ccccc2Br)nn1 ZINC000277085056 655302381 /nfs/dbraw/zinc/30/23/81/655302381.db2.gz UQPXTZPTARVVOL-ZDUSSCGKSA-N 1 0 381.318 2.736 20 0 GFADRO C[C@@H](C(=O)NCCS(=O)(=O)c1ccc(Cl)cc1)[C@H]([NH3+])c1ccccc1 ZINC000178411316 655303158 /nfs/dbraw/zinc/30/31/58/655303158.db2.gz KWCOPIAHFIXNMH-DYVFJYSZSA-N 1 0 380.897 2.566 20 0 GFADRO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@H]1N2C(=O)c1cc(Br)nn1C ZINC000277205171 655307713 /nfs/dbraw/zinc/30/77/13/655307713.db2.gz JNOQYGMETIBXAD-UKRRQHHQSA-N 1 0 389.297 2.939 20 0 GFADRO COC(=O)c1c(Br)ccc(NC(=O)NCC2=CC[N@H+](C)CC2)c1C ZINC000277243598 655309277 /nfs/dbraw/zinc/30/92/77/655309277.db2.gz PHWPIXDHVYFHOZ-UHFFFAOYSA-N 1 0 396.285 2.928 20 0 GFADRO COC(=O)c1c(Br)ccc(NC(=O)N2CC[C@@H]([NH+](C)C)C2)c1C ZINC000277249616 655309670 /nfs/dbraw/zinc/30/96/70/655309670.db2.gz PWHGQFSFUNUJKQ-LLVKDONJSA-N 1 0 384.274 2.712 20 0 GFADRO COC(=O)C[C@H]1CCC[N@@H+]1Cn1ccc(=O)c2cccc(Br)c21 ZINC000178774829 655309806 /nfs/dbraw/zinc/30/98/06/655309806.db2.gz VGMWGJKSPSJGQP-GFCCVEGCSA-N 1 0 379.254 2.749 20 0 GFADRO CC(C)Cc1ncc(C[NH2+]CC2CCN(S(=O)(=O)C(F)(F)F)CC2)s1 ZINC000178790325 655309848 /nfs/dbraw/zinc/30/98/48/655309848.db2.gz KOCKPQYHRXLLNY-UHFFFAOYSA-N 1 0 399.504 2.993 20 0 GFADRO C[N@H+](CCCO)C1CCN(S(=O)(=O)c2cc(Cl)sc2Cl)CC1 ZINC000119694313 655311427 /nfs/dbraw/zinc/31/14/27/655311427.db2.gz GWPNVGZTAYOTCU-UHFFFAOYSA-N 1 0 387.354 2.522 20 0 GFADRO C[NH+](C)[C@H]1CCCN(C(=O)Cc2ccc(I)cc2)CC1 ZINC000277348831 655314134 /nfs/dbraw/zinc/31/41/34/655314134.db2.gz TZHWVINGVLGAGP-HNNXBMFYSA-N 1 0 386.277 2.776 20 0 GFADRO CC(=O)N[C@H](CC(=O)N1CC[NH+](C(C)C)CC1)c1ccc(Br)cc1 ZINC000119798127 655315639 /nfs/dbraw/zinc/31/56/39/655315639.db2.gz CGWQCSAOXILEEC-QGZVFWFLSA-N 1 0 396.329 2.569 20 0 GFADRO CC[N@H+](CCC1CCN(C(=O)OC(C)(C)C)CC1)[C@@H](C)CS(C)(=O)=O ZINC000179656819 655315663 /nfs/dbraw/zinc/31/56/63/655315663.db2.gz NTZHWHRNKWOITD-HNNXBMFYSA-N 1 0 376.563 2.779 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(Br)c(C)c2)[C@H](C)C1 ZINC000119830542 655317268 /nfs/dbraw/zinc/31/72/68/655317268.db2.gz XFGMZSFDALHMQX-CJNGLKHVSA-N 1 0 396.329 2.885 20 0 GFADRO C[C@H]([NH3+])CCC(=O)N1CCC(C(=O)Nc2cccc(Br)c2)CC1 ZINC000277453417 655319916 /nfs/dbraw/zinc/31/99/16/655319916.db2.gz GVVRTTYPPGCJSM-LBPRGKRZSA-N 1 0 382.302 2.754 20 0 GFADRO C[C@@H](CC(=O)N(C)C)[NH2+][C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000119905247 655320636 /nfs/dbraw/zinc/32/06/36/655320636.db2.gz PCPDATGTYVNPAR-CMPLNLGQSA-N 1 0 378.826 2.789 20 0 GFADRO CCc1nc2c(s1)[C@H]([NH2+]CC1CCN(S(=O)(=O)C(F)F)CC1)CCC2 ZINC000180802593 655330240 /nfs/dbraw/zinc/33/02/40/655330240.db2.gz UYLMCOMUBTWDKL-GFCCVEGCSA-N 1 0 393.525 2.937 20 0 GFADRO COCCNC(=[NH2+])NCCOc1c(Cl)cc(Br)cc1Cl ZINC000182722699 655346905 /nfs/dbraw/zinc/34/69/05/655346905.db2.gz NTFTUWWAVQSULQ-UHFFFAOYSA-N 1 0 385.089 2.685 20 0 GFADRO C[C@@H]([NH2+]CCOCCS(C)(=O)=O)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000181147224 655332972 /nfs/dbraw/zinc/33/29/72/655332972.db2.gz NZXISMWWDXPTLI-NEPJUHHUSA-N 1 0 384.325 2.800 20 0 GFADRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2cnnn2-c2c(Cl)cccc2Cl)C1 ZINC000281611575 655336097 /nfs/dbraw/zinc/33/60/97/655336097.db2.gz ZECRDQDEFRGINR-GFCCVEGCSA-N 1 0 382.295 2.988 20 0 GFADRO CN(CN1CC[C@H](c2cccc(Br)c2)C1=O)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000839995850 661122470 /nfs/dbraw/zinc/12/24/70/661122470.db2.gz KLHBMQUMZCMIFQ-QZTJIDSGSA-N 1 0 392.341 2.891 20 0 GFADRO Cc1cc(C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)ccc1Br ZINC000120682194 655342261 /nfs/dbraw/zinc/34/22/61/655342261.db2.gz RRPQYGGEIGNVLK-HNNXBMFYSA-N 1 0 381.314 2.942 20 0 GFADRO CC(C)[C@@H](CNS(=O)(=O)/C=C/c1cccc(Cl)c1)N1CC[NH+](C)CC1 ZINC000184169630 655355590 /nfs/dbraw/zinc/35/55/90/655355590.db2.gz VREDIUMHIPHCLI-VWGXWWAPSA-N 1 0 385.961 2.502 20 0 GFADRO Cc1nc(Br)ccc1NC(=O)NC(C)(C)CC[NH+]1CCN(C)CC1 ZINC000184592601 655358326 /nfs/dbraw/zinc/35/83/26/655358326.db2.gz DZXDFUCMVZXNBL-UHFFFAOYSA-N 1 0 398.349 2.690 20 0 GFADRO C/C(=C\c1c(Cl)cccc1Cl)C(=O)N1CCN(C(=O)C[NH+](C)C)CC1 ZINC000184771434 655359438 /nfs/dbraw/zinc/35/94/38/655359438.db2.gz LYRLDUOBABWLKY-ACCUITESSA-N 1 0 384.307 2.629 20 0 GFADRO Fc1ccc(CC2([NH2+]CCn3cncn3)CCOCC2)c(Br)c1 ZINC000293642895 655360745 /nfs/dbraw/zinc/36/07/45/655360745.db2.gz RUZJTBMYZVJFSR-UHFFFAOYSA-N 1 0 383.265 2.561 20 0 GFADRO CN(C(=O)c1nn(C)cc1Br)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000293764376 655361594 /nfs/dbraw/zinc/36/15/94/655361594.db2.gz RAUFMMKSGLMVML-CQSZACIVSA-N 1 0 377.286 2.529 20 0 GFADRO OCC1([C@@H]([NH2+]Cc2cnc3ccc(Br)cn23)C2CC2)CCOCC1 ZINC000293967350 655363451 /nfs/dbraw/zinc/36/34/51/655363451.db2.gz JUZFZXPJZJHJCO-KRWDZBQOSA-N 1 0 394.313 2.754 20 0 GFADRO CCOC(=O)N1CC[C@@H]([NH2+]Cc2cc(Br)c3c(c2)OCCCO3)C1 ZINC000185770467 655366253 /nfs/dbraw/zinc/36/62/53/655366253.db2.gz PAFHBNWXJUMEAD-CYBMUJFWSA-N 1 0 399.285 2.931 20 0 GFADRO CN(Cc1cc(Br)cs1)C(=O)C[N@@H+]1CC[C@@H](O)CC(C)(C)C1 ZINC000295610932 655366388 /nfs/dbraw/zinc/36/63/88/655366388.db2.gz YGAQQVUMVZQFNR-CYBMUJFWSA-N 1 0 389.359 2.952 20 0 GFADRO C[C@@H](CCc1ccc(Br)cc1)NC(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC000188431531 655379816 /nfs/dbraw/zinc/37/98/16/655379816.db2.gz LAGSRLOKXNCBNC-NSHDSACASA-N 1 0 377.286 2.569 20 0 GFADRO CC(C)([NH3+])c1noc(COc2cc(F)c(Br)cc2[N+](=O)[O-])n1 ZINC000320121820 655381990 /nfs/dbraw/zinc/38/19/90/655381990.db2.gz RNHLNERYFJIGKH-UHFFFAOYSA-N 1 0 375.154 2.652 20 0 GFADRO O=C(NC[C@H]1CCCN(Cc2cccc(F)c2Br)C1)[C@@H]1CCC[NH2+]1 ZINC000325233174 655384554 /nfs/dbraw/zinc/38/45/54/655384554.db2.gz FONHCNXMFBPLTE-CJNGLKHVSA-N 1 0 398.320 2.668 20 0 GFADRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000327380453 655386103 /nfs/dbraw/zinc/38/61/03/655386103.db2.gz OEKANNVLNOMHMG-CYBMUJFWSA-N 1 0 387.889 2.806 20 0 GFADRO O=S(=O)(NC[C@@H](c1ccccc1)[NH+]1CCCC1)c1cnc(Cl)c(F)c1 ZINC000327798850 655386488 /nfs/dbraw/zinc/38/64/88/655386488.db2.gz FGWLKXALRVPUIH-INIZCTEOSA-N 1 0 383.876 2.990 20 0 GFADRO CC[NH+]1CCC(N2C(=O)N[C@H](c3ccc(OC)c(Br)c3)C2=O)CC1 ZINC000349274190 655388886 /nfs/dbraw/zinc/38/88/86/655388886.db2.gz BKXIUSBTVWZZBI-OAHLLOKOSA-N 1 0 396.285 2.535 20 0 GFADRO COc1ccc([C@@H]2NC(=O)N(C[C@H](C)[N@H+](C)C3CC3)C2=O)cc1Br ZINC000349366779 655389474 /nfs/dbraw/zinc/38/94/74/655389474.db2.gz NGRZACMMYBPARR-BONVTDFDSA-N 1 0 396.285 2.533 20 0 GFADRO CCCC[N@H+](C)CCN1C(=O)N[C@H](c2ccc(OC)c(Br)c2)C1=O ZINC000349393882 655390125 /nfs/dbraw/zinc/39/01/25/655390125.db2.gz UTHLDGQAHIDIFP-OAHLLOKOSA-N 1 0 398.301 2.783 20 0 GFADRO CN1CCC([NH+]2CCC(CCNC(=O)c3occc3Br)CC2)CC1 ZINC000365920499 655396828 /nfs/dbraw/zinc/39/68/28/655396828.db2.gz LHHKPPDJPKJIHO-UHFFFAOYSA-N 1 0 398.345 2.968 20 0 GFADRO COc1ccc(Br)c(C(=O)NCCCNC(=[NH2+])NCCC(C)C)c1 ZINC000191159794 655397181 /nfs/dbraw/zinc/39/71/81/655397181.db2.gz VZDVMXNNFOCDOP-UHFFFAOYSA-N 1 0 399.333 2.528 20 0 GFADRO C[C@H](Oc1ccc(Br)cc1)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000366194473 655399719 /nfs/dbraw/zinc/39/97/19/655399719.db2.gz HWADZJOFXITUHN-XJKSGUPXSA-N 1 0 397.313 2.586 20 0 GFADRO CC(C)(COc1ncccc1Br)NC(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000418347022 655405777 /nfs/dbraw/zinc/40/57/77/655405777.db2.gz NFVSOFRCHFFOLG-ZDUSSCGKSA-N 1 0 399.333 2.690 20 0 GFADRO FC(F)(F)c1nc(NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)sc1Br ZINC000418989113 655406373 /nfs/dbraw/zinc/40/63/73/655406373.db2.gz JLEFZTVBPIYMRA-OCAPTIKFSA-N 1 0 386.237 3.200 20 0 GFADRO Cc1ccc(S(=O)(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)c(Cl)n1 ZINC000192979708 655407721 /nfs/dbraw/zinc/40/77/21/655407721.db2.gz ULJGIRIBYQBLBY-MRXNPFEDSA-N 1 0 379.913 2.844 20 0 GFADRO O[C@H](COc1cc(F)cc(Br)c1)C[NH+]1CCC(c2cn[nH]c2)CC1 ZINC000438833120 655409262 /nfs/dbraw/zinc/40/92/62/655409262.db2.gz WIJABDUSKLQKAP-INIZCTEOSA-N 1 0 398.276 2.931 20 0 GFADRO C[C@@H]1OCC[C@]1(O)C[NH2+]Cc1cc(Br)c(Br)s1 ZINC000227127166 655422744 /nfs/dbraw/zinc/42/27/44/655422744.db2.gz OPOPNPBQHLCVDB-CPCISQLKSA-N 1 0 385.121 2.903 20 0 GFADRO CN1CCN(C)[C@@H](C[NH2+]Cc2cc(Br)c(Br)s2)C1 ZINC000227832736 655422914 /nfs/dbraw/zinc/42/29/14/655422914.db2.gz DGVSYCWEXPWHNA-VIFPVBQESA-N 1 0 397.180 2.609 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)NC1CCC([NH3+])CC1 ZINC000236825821 655424960 /nfs/dbraw/zinc/42/49/60/655424960.db2.gz VWRQDXOYAVXQDQ-NFOMZHRRSA-N 1 0 384.567 2.737 20 0 GFADRO CC[NH2+]CC1CCN(S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2C)CC1 ZINC000237049789 655425519 /nfs/dbraw/zinc/42/55/19/655425519.db2.gz CYZZSONEMNSSDC-UHFFFAOYSA-N 1 0 375.878 2.567 20 0 GFADRO C[C@H]([NH2+]CCS(=O)(=O)c1cccc(Br)c1)c1cc[nH]c(=O)c1 ZINC000574192341 655426060 /nfs/dbraw/zinc/42/60/60/655426060.db2.gz CUHQPZRCXIIFCI-NSHDSACASA-N 1 0 385.283 2.674 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)CN1C(=S)N=NC1c1ccc(Cl)cc1 ZINC000237358813 655426108 /nfs/dbraw/zinc/42/61/08/655426108.db2.gz IBKJKCUPZGQROZ-RISCZKNCSA-N 1 0 379.917 2.616 20 0 GFADRO C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)N1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000574201408 655426357 /nfs/dbraw/zinc/42/63/57/655426357.db2.gz QRGOTUBIGDKMEX-OLZOCXBDSA-N 1 0 387.307 2.975 20 0 GFADRO CC(C)CN(Cc1ccccc1Br)C(=O)C(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000574204495 655426359 /nfs/dbraw/zinc/42/63/59/655426359.db2.gz IQASIBUTAVTMCG-ZIAGYGMSSA-N 1 0 398.345 2.676 20 0 GFADRO CC(C)n1cc(S(=O)(=O)NC[C@@H](C[NH+](C)C)c2ccc(Cl)cc2)cn1 ZINC000574211107 655426526 /nfs/dbraw/zinc/42/65/26/655426526.db2.gz JFWCJBFZFUJKTC-HNNXBMFYSA-N 1 0 384.933 2.741 20 0 GFADRO C[C@H](NC(=O)N1CCC(CC[NH+](C)C)CC1)c1ncc(Br)cn1 ZINC000574378080 655430074 /nfs/dbraw/zinc/43/00/74/655430074.db2.gz MUUUADVXPUSCSN-LBPRGKRZSA-N 1 0 384.322 2.673 20 0 GFADRO C[C@@H]1CN(C(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)CC[S@](=O)C1 ZINC000574855765 655432139 /nfs/dbraw/zinc/43/21/39/655432139.db2.gz UEAXIBDMZOQYCB-BPCAQTKCSA-N 1 0 383.583 2.541 20 0 GFADRO COCC[N@H+](C)C[C@H](O)CNC1(c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000574887046 655432802 /nfs/dbraw/zinc/43/28/02/655432802.db2.gz HZDMFMOMLCJOHM-CYBMUJFWSA-N 1 0 380.838 2.877 20 0 GFADRO O=c1c(Br)nn(C[N@@H+]2CCC[C@@]3(CCOC3)C2)c2ccccc12 ZINC000840142419 661139973 /nfs/dbraw/zinc/13/99/73/661139973.db2.gz FFMSGEATNRXPFE-QGZVFWFLSA-N 1 0 378.270 2.619 20 0 GFADRO CN1CCO[C@@H]([C@@H](NC(=O)c2cncc(Cl)n2)c2ccc(Cl)cc2)C1 ZINC000248849927 655433402 /nfs/dbraw/zinc/43/34/02/655433402.db2.gz SVZSEZFZJKWCGW-ZBFHGGJFSA-N 1 0 381.263 2.585 20 0 GFADRO C[C@@H](CCC[NH3+])NS(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCCCO1 ZINC000575059369 655434908 /nfs/dbraw/zinc/43/49/08/655434908.db2.gz RQEKEJSCTDJHOK-ZFWWWQNUSA-N 1 0 390.933 2.694 20 0 GFADRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2Cn2c(=O)oc3cc(F)c(Br)cc32)C1 ZINC000253354568 655435269 /nfs/dbraw/zinc/43/52/69/655435269.db2.gz MEWDZJOJTLAFKJ-FZMZJTMJSA-N 1 0 398.276 2.870 20 0 GFADRO CC(C)(C(=O)N1C[C@H](C[NH3+])C2(C1)CCOCC2)c1cccc(Br)c1 ZINC000575179665 655436809 /nfs/dbraw/zinc/43/68/09/655436809.db2.gz GZYAHMJBMMSEIN-HNNXBMFYSA-N 1 0 395.341 2.941 20 0 GFADRO COc1cc(OC)c(S(=O)(=O)N[C@]2(C[NH3+])CCCC[C@H]2C)cc1Cl ZINC000575802249 655437371 /nfs/dbraw/zinc/43/73/71/655437371.db2.gz GGDZWDRQHQYBEW-BZNIZROVSA-N 1 0 376.906 2.543 20 0 GFADRO CC(C)[C@@H](C(=O)NC[C@H]1CCN(c2ccc(Br)cc2)C1)[NH+](C)C ZINC000575975827 655441290 /nfs/dbraw/zinc/44/12/90/655441290.db2.gz FAESZFBCXLAQIM-PBHICJAKSA-N 1 0 382.346 2.978 20 0 GFADRO Cc1cc(Br)cn2cc(C[NH2+]C[C@H](O)COc3ccccc3)nc12 ZINC000576031241 655442062 /nfs/dbraw/zinc/44/20/62/655442062.db2.gz JXMWKYVABMAKKP-INIZCTEOSA-N 1 0 390.281 2.935 20 0 GFADRO O=C(NCC1C[NH2+]C1)c1cccc(Sc2cccc(Br)c2)n1 ZINC000261888147 655442780 /nfs/dbraw/zinc/44/27/80/655442780.db2.gz BKOVHIRHMWBRPA-UHFFFAOYSA-N 1 0 378.295 2.945 20 0 GFADRO CCOC(=O)COc1c(Br)cc(C)cc1CN1CC[C@@](C)(C[NH3+])C1 ZINC000261904343 655442799 /nfs/dbraw/zinc/44/27/99/655442799.db2.gz WVEXNUIALIMANJ-SFHVURJKSA-N 1 0 399.329 2.870 20 0 GFADRO C[C@H](NC(=O)NCC[C@@H]1CC[NH2+]C1)c1cc2c(cc1Br)OCCO2 ZINC000576091802 655443208 /nfs/dbraw/zinc/44/32/08/655443208.db2.gz UWHPDUCDMIYVCC-RYUDHWBXSA-N 1 0 398.301 2.580 20 0 GFADRO COc1ccc(CN2CC[NH2+]C[C@H]2c2ccncc2)c(Br)c1O ZINC000262139594 655444004 /nfs/dbraw/zinc/44/40/04/655444004.db2.gz YZRBFLLIFZMFEK-AWEZNQCLSA-N 1 0 378.270 2.705 20 0 GFADRO C[NH+](C)CCCOc1cnccc1CNC(=O)COc1ccsc1Cl ZINC000576430535 655447177 /nfs/dbraw/zinc/44/71/77/655447177.db2.gz RUPABBPRZFHYMT-UHFFFAOYSA-N 1 0 383.901 2.822 20 0 GFADRO CC(C)N1CC[C@@H]([N@H+](C)Cn2nc(Br)c(=O)c3ccccc32)C1 ZINC000840155425 661141862 /nfs/dbraw/zinc/14/18/62/661141862.db2.gz XVDJZAFGHAJVSB-CYBMUJFWSA-N 1 0 379.302 2.531 20 0 GFADRO O[C@@H](COc1cc(Cl)ccc1Cl)C[N@@H+]1CCC[C@H](N2CCOCC2)C1 ZINC000576645311 655450434 /nfs/dbraw/zinc/45/04/34/655450434.db2.gz XYCSWSFYLCLKPW-JKSUJKDBSA-N 1 0 389.323 2.530 20 0 GFADRO COCCN1CCC([NH2+][C@H]2CCN(c3cccc(Br)c3)C2)CC1 ZINC000576726788 655451722 /nfs/dbraw/zinc/45/17/22/655451722.db2.gz CDXWQNJZIRTEJA-KRWDZBQOSA-N 1 0 382.346 2.728 20 0 GFADRO COc1ccc(Cl)cc1[C@H](C)[NH2+]C[C@H]1CCCCN1S(=O)(=O)N(C)C ZINC000576903408 655454430 /nfs/dbraw/zinc/45/44/30/655454430.db2.gz FPAOGUZQQGUHBL-DZGCQCFKSA-N 1 0 389.949 2.660 20 0 GFADRO Cc1nc2scc(C3CC3)n2c1C[NH2+][C@@H]1CCCC[C@H]1NS(C)(=O)=O ZINC000577477415 655460743 /nfs/dbraw/zinc/46/07/43/655460743.db2.gz UFQFDYKQMUDUGL-ZIAGYGMSSA-N 1 0 382.555 2.532 20 0 GFADRO C[C@H]([NH3+])C1CCN(C(=O)c2cn(-c3ccc(Br)cc3)cn2)CC1 ZINC000577491075 655460872 /nfs/dbraw/zinc/46/08/72/655460872.db2.gz GSJYOIKDEZUAIL-LBPRGKRZSA-N 1 0 377.286 2.834 20 0 GFADRO C[NH+](C)[C@H]1CCCN(C(=O)c2cnn(-c3ccc(Br)cc3)c2)C1 ZINC000264355720 655461660 /nfs/dbraw/zinc/46/16/60/655461660.db2.gz AIECMVPZWKEHKK-INIZCTEOSA-N 1 0 377.286 2.801 20 0 GFADRO O=c1[nH]ncc(NCCC[NH+]2CCN(c3cccc(Cl)c3)CC2)c1Cl ZINC000264357545 655461759 /nfs/dbraw/zinc/46/17/59/655461759.db2.gz AEKXGTJDEZTIRK-UHFFFAOYSA-N 1 0 382.295 2.701 20 0 GFADRO CN(CCc1ccc(Br)cc1)C(=O)NCCCC[NH+]1CCOCC1 ZINC000264403588 655462965 /nfs/dbraw/zinc/46/29/65/655462965.db2.gz MSEQLRBAEPZRNG-UHFFFAOYSA-N 1 0 398.345 2.745 20 0 GFADRO O=C(CC[NH2+]C[C@@H](CO)Cc1ccco1)Nc1cccc(Br)c1 ZINC000577633654 655463362 /nfs/dbraw/zinc/46/33/62/655463362.db2.gz RSGIHUHJAADUQR-ZDUSSCGKSA-N 1 0 381.270 2.812 20 0 GFADRO C[C@H]1CCN(Cc2csc(-c3ccc(S(C)(=O)=O)cc3)n2)C[C@H]1C[NH3+] ZINC000577638192 655463549 /nfs/dbraw/zinc/46/35/49/655463549.db2.gz PSOBRDTZBZUIIA-DZGCQCFKSA-N 1 0 379.551 2.630 20 0 GFADRO COc1cc(C(=O)NCCCCn2ccnc2)cc(Br)c1OC ZINC000577657055 655464009 /nfs/dbraw/zinc/46/40/09/655464009.db2.gz CPPCKUYLJJVLDY-UHFFFAOYSA-N 1 0 382.258 2.873 20 0 GFADRO COCC[N@@H+]1CC[C@@H](NC(=O)Nc2c(C)cc(Br)cc2OC)C1 ZINC000264612044 655467159 /nfs/dbraw/zinc/46/71/59/655467159.db2.gz PVEZQXUFNSJXED-CYBMUJFWSA-N 1 0 386.290 2.608 20 0 GFADRO C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)C1 ZINC000264624264 655467294 /nfs/dbraw/zinc/46/72/94/655467294.db2.gz OULWCDMYJQJZDE-LRDDRELGSA-N 1 0 384.307 2.666 20 0 GFADRO C[C@H](CNS(=O)(=O)c1ccc(OC(F)F)c(F)c1)[N@@H+]1CCCC[C@@H]1C ZINC000577854829 655468515 /nfs/dbraw/zinc/46/85/15/655468515.db2.gz FUQJGOIOYWTLLA-NWDGAFQWSA-N 1 0 380.432 2.968 20 0 GFADRO [NH3+]CC[C@H]1CCCCN1C(=O)C1CCN(C(=O)c2ccc(Cl)s2)CC1 ZINC000577859379 655468683 /nfs/dbraw/zinc/46/86/83/655468683.db2.gz YCRHTRQKYZZKSB-CQSZACIVSA-N 1 0 383.945 2.984 20 0 GFADRO O[C@@H](COc1ccc(Cl)cc1Cl)C[N@@H+]1CCC[C@H](N2CCOCC2)C1 ZINC000577862067 655468775 /nfs/dbraw/zinc/46/87/75/655468775.db2.gz VJXZZVCLIVROME-JKSUJKDBSA-N 1 0 389.323 2.530 20 0 GFADRO CC[N@@H+]1CCCN(C(=O)c2nnn(-c3cccc(Br)c3)c2C)CC1 ZINC000264821939 655471280 /nfs/dbraw/zinc/47/12/80/655471280.db2.gz XRKZSRQHUUSANR-UHFFFAOYSA-N 1 0 392.301 2.506 20 0 GFADRO C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)N1CC[NH+](C2CCC2)CC1 ZINC000264995221 655475562 /nfs/dbraw/zinc/47/55/62/655475562.db2.gz NXPMHXIISOTJAN-OAHLLOKOSA-N 1 0 394.357 2.966 20 0 GFADRO C[NH+](C)C1(CNC(=O)c2cc3cc(Br)ccc3[nH]2)CCOCC1 ZINC000265017724 655476101 /nfs/dbraw/zinc/47/61/01/655476101.db2.gz LOQPYVASLJCADE-UHFFFAOYSA-N 1 0 380.286 2.771 20 0 GFADRO COc1ncc(C(=O)N(CCC[NH3+])Cc2ccccc2)cc1Br ZINC000578442135 655479175 /nfs/dbraw/zinc/47/91/75/655479175.db2.gz ZKRJQAZIBKOTCC-UHFFFAOYSA-N 1 0 378.270 2.844 20 0 GFADRO C[NH+](C)[C@]1(CNC(=O)C(=O)Nc2cccc(C(F)F)c2Cl)CCSC1 ZINC000578470046 655479723 /nfs/dbraw/zinc/47/97/23/655479723.db2.gz MFJYNYIWWDJEHV-INIZCTEOSA-N 1 0 391.871 2.770 20 0 GFADRO C[C@@H](C(=O)N(CCC[NH+](C)C)Cc1ccc(Cl)c(Cl)c1)S(C)(=O)=O ZINC000265252486 655479793 /nfs/dbraw/zinc/47/97/93/655479793.db2.gz JXMUXHWICDOBML-LBPRGKRZSA-N 1 0 395.352 2.707 20 0 GFADRO C[C@H](C(=O)N(CCC[NH+](C)C)Cc1ccc(Cl)c(Cl)c1)S(C)(=O)=O ZINC000265252483 655479888 /nfs/dbraw/zinc/47/98/88/655479888.db2.gz JXMUXHWICDOBML-GFCCVEGCSA-N 1 0 395.352 2.707 20 0 GFADRO CC(C)(C)[C@H](C[NH3+])NC(=O)CCC[S@@](=O)c1ccc(Br)cc1 ZINC000578498000 655480375 /nfs/dbraw/zinc/48/03/75/655480375.db2.gz WOWPTDQAMWTJAK-RCDICMHDSA-N 1 0 389.359 2.827 20 0 GFADRO CC(C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)N1CCC[C@H](C[NH3+])C1 ZINC000578497704 655480421 /nfs/dbraw/zinc/48/04/21/655480421.db2.gz YKQVLUPKHFRZBQ-CQSZACIVSA-N 1 0 386.323 2.928 20 0 GFADRO CC[C@@H]1C[N@H+](C)CCN1C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000578525092 655481063 /nfs/dbraw/zinc/48/10/63/655481063.db2.gz VBVACSFQGGFZGO-ZIAGYGMSSA-N 1 0 391.737 2.868 20 0 GFADRO O=C(c1ccc(F)cc1I)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000578618697 655483117 /nfs/dbraw/zinc/48/31/17/655483117.db2.gz MYYUVBKDTNEEGM-HNNXBMFYSA-N 1 0 388.224 2.646 20 0 GFADRO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N[C@@H](c1ccsc1)c1ccc(Cl)cc1 ZINC000578627534 655483241 /nfs/dbraw/zinc/48/32/41/655483241.db2.gz YMXKFYGTPMSQBM-HWWQOWPSSA-N 1 0 379.913 2.849 20 0 GFADRO CO[C@@H]1CCN(C(=O)Cc2csc(-c3ccc(Cl)cc3)n2)[C@@H](C[NH3+])C1 ZINC000578630829 655483425 /nfs/dbraw/zinc/48/34/25/655483425.db2.gz CYLPHMAWZPWTEM-HZPDHXFCSA-N 1 0 379.913 2.971 20 0 GFADRO O=C(Nc1ccc2nccnc2c1Br)N[C@H]1C[NH2+]CCC1(F)F ZINC000578727356 655485614 /nfs/dbraw/zinc/48/56/14/655485614.db2.gz FAAMLJOVZYLXDQ-JTQLQIEISA-N 1 0 386.200 2.511 20 0 GFADRO Cc1ncc2c(n1)CC[C@H]([NH2+]C[C@@H](O)COc1cc(Cl)ccc1Cl)C2 ZINC000578759098 655486419 /nfs/dbraw/zinc/48/64/19/655486419.db2.gz PDNNDBYDGVLHPT-LSDHHAIUSA-N 1 0 382.291 2.979 20 0 GFADRO COC[C@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccc(I)cc2)C1 ZINC000265816990 655491151 /nfs/dbraw/zinc/49/11/51/655491151.db2.gz RAIQGMBFICKADB-NEPJUHHUSA-N 1 0 388.249 2.587 20 0 GFADRO C[C@@H]([NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000579067354 655492852 /nfs/dbraw/zinc/49/28/52/655492852.db2.gz WUIJMPKNXSFGHM-LSCVPOLPSA-N 1 0 391.331 2.703 20 0 GFADRO O=C1NC(=O)C2(CCC([NH2+]C/C=C\c3ccc(Br)cc3)CC2)N1 ZINC000579078434 655493036 /nfs/dbraw/zinc/49/30/36/655493036.db2.gz OLMKHSQAEQOSKP-UPHRSURJSA-N 1 0 378.270 2.573 20 0 GFADRO O=C1NC(=O)C2(CCC([NH2+]C/C=C/c3ccc(Br)cc3)CC2)N1 ZINC000579078433 655493076 /nfs/dbraw/zinc/49/30/76/655493076.db2.gz OLMKHSQAEQOSKP-OWOJBTEDSA-N 1 0 378.270 2.573 20 0 GFADRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)C(=O)Nc3cc(Cl)c(Cl)cc3Cl)C[C@H]12 ZINC000579449544 655499955 /nfs/dbraw/zinc/49/99/55/655499955.db2.gz GNLUWKWCJZEIGI-RGNHYFCHSA-N 1 0 376.671 2.781 20 0 GFADRO O=C(NC[C@H]1CCN(c2ccc(Br)cc2)C1)[C@@H]1CCCCC[NH2+]1 ZINC000579714360 655502903 /nfs/dbraw/zinc/50/29/03/655502903.db2.gz SAKPDGJHWPZEPH-PBHICJAKSA-N 1 0 380.330 2.924 20 0 GFADRO C[C@H]1CC[NH2+][C@H](C(=O)N2CCN(C(=O)c3cc4sccc4s3)CC2)C1 ZINC000579822467 655504305 /nfs/dbraw/zinc/50/43/05/655504305.db2.gz RTLBBFSWUJGVMJ-STQMWFEESA-N 1 0 377.535 2.635 20 0 GFADRO CC[C@@H](C)[N@H+](C)CCNC(=O)N(C)C[C@@H](O)c1cccc(Br)c1 ZINC000840284351 661151428 /nfs/dbraw/zinc/15/14/28/661151428.db2.gz JYKOMWFTFMFCRM-CZUORRHYSA-N 1 0 386.334 2.854 20 0 GFADRO C[NH+]1CCC(NC(=O)C(=O)Nc2ccc(-c3ccc(Cl)s3)nc2)CC1 ZINC000580207908 655510186 /nfs/dbraw/zinc/51/01/86/655510186.db2.gz YLAUCSCEKFYXTP-UHFFFAOYSA-N 1 0 378.885 2.612 20 0 GFADRO CN(CCOCC[NH2+]Cc1ccncc1Br)C(=O)OC(C)(C)C ZINC000703760941 655521978 /nfs/dbraw/zinc/52/19/78/655521978.db2.gz PGPPBVJPAXZGDO-UHFFFAOYSA-N 1 0 388.306 2.817 20 0 GFADRO CCS(=O)(=O)C[C@H](C)[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)CC(C)(C)C1 ZINC000710446463 655522470 /nfs/dbraw/zinc/52/24/70/655522470.db2.gz LUGYVHADICXTMD-GJZGRUSLSA-N 1 0 376.563 2.825 20 0 GFADRO O=C(N[C@]12CCC[C@@H]1[NH2+]CC2)c1cc(Cl)ccc1I ZINC000711704423 655522630 /nfs/dbraw/zinc/52/26/30/655522630.db2.gz CZQJLSOAVHYTKU-JSGCOSHPSA-N 1 0 390.652 2.959 20 0 GFADRO NC(=O)CC1CC([NH2+]Cc2cc(Br)cc(Br)c2)C1 ZINC000718510939 655524125 /nfs/dbraw/zinc/52/41/25/655524125.db2.gz BXPGTVRXMNLRHZ-UHFFFAOYSA-N 1 0 376.092 2.955 20 0 GFADRO CN1C[C@@H](CC[NH2+]Cc2c(Br)cncc2Br)CC1=O ZINC000723582970 655525604 /nfs/dbraw/zinc/52/56/04/655525604.db2.gz QPWRIIQQGSRGNE-VIFPVBQESA-N 1 0 391.107 2.565 20 0 GFADRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NS(=O)(=O)Cc2ccc(Cl)nc2)C1 ZINC000725827120 655527331 /nfs/dbraw/zinc/52/73/31/655527331.db2.gz MIDRHASNNFWSRX-WMLDXEAASA-N 1 0 379.913 2.990 20 0 GFADRO Cc1n[nH]c(C(=O)N(Cc2ccco2)C2CC[NH+](C)CC2)c1Br ZINC000726629062 655537052 /nfs/dbraw/zinc/53/70/52/655537052.db2.gz ZCXOKKDXWAJMGP-UHFFFAOYSA-N 1 0 381.274 2.810 20 0 GFADRO COCC[N@H+](C)CCNC(=O)N1CCC[C@@H]1Cc1ccc(Br)cc1 ZINC000727033304 655540706 /nfs/dbraw/zinc/54/07/06/655540706.db2.gz QEQVWAQTJUSOQZ-QGZVFWFLSA-N 1 0 398.345 2.744 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CNC(=S)Nc1cccc(CSCC(=O)OC)c1 ZINC000728454327 655555647 /nfs/dbraw/zinc/55/56/47/655555647.db2.gz URBWURVHXJIHOV-INIZCTEOSA-N 1 0 381.567 2.864 20 0 GFADRO C[C@H](CNS(=O)(=O)c1c(Cl)nc2sccn21)[N@@H+]1CCCC[C@@H]1C ZINC000728580534 655556883 /nfs/dbraw/zinc/55/68/83/655556883.db2.gz HYIULUWVWZCZTM-WDEREUQCSA-N 1 0 376.935 2.590 20 0 GFADRO O=C(NCc1ccc(C[NH+]2CCC(O)CC2)cc1)NC[C@@H]1CC1(Cl)Cl ZINC000729497099 655565309 /nfs/dbraw/zinc/56/53/09/655565309.db2.gz IOENIEHMYULHBG-HNNXBMFYSA-N 1 0 386.323 2.636 20 0 GFADRO CC(C)[C@@H](C[NH+](C)C)NC(=O)c1ccc(I)c(F)c1 ZINC000729625248 655566201 /nfs/dbraw/zinc/56/62/01/655566201.db2.gz FDVFOQPEHJXHNB-CYBMUJFWSA-N 1 0 378.229 2.746 20 0 GFADRO O=C(NCCc1ccc(Br)cc1F)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000731118166 655581694 /nfs/dbraw/zinc/58/16/94/655581694.db2.gz WYTFTXANDPVYNQ-LBPRGKRZSA-N 1 0 384.293 2.914 20 0 GFADRO C/C=C/C(=O)N(CCN1CC[NH+](C)CC1)Cc1ccc(Br)cc1F ZINC000732645235 655599564 /nfs/dbraw/zinc/59/95/64/655599564.db2.gz RTMPYOCBWYFOCG-ONEGZZNKSA-N 1 0 398.320 2.740 20 0 GFADRO CC[N@H+](CC1CC1)CN1C(=O)N[C@@](C)(c2ccc(Br)cc2)C1=O ZINC000732663257 655599802 /nfs/dbraw/zinc/59/98/02/655599802.db2.gz LVTWQTQYVOXIKR-KRWDZBQOSA-N 1 0 380.286 2.906 20 0 GFADRO CCc1nn(C)c(Cl)c1C[NH2+]C[C@@H](c1cccs1)N1CCN(C)CC1 ZINC000734842519 655635278 /nfs/dbraw/zinc/63/52/78/655635278.db2.gz OEKOBFPCDSBYAQ-INIZCTEOSA-N 1 0 381.977 2.776 20 0 GFADRO C[S@@](=O)CC[NH2+]Cc1cc(Br)ccc1OCc1ccccn1 ZINC000735084498 655639068 /nfs/dbraw/zinc/63/90/68/655639068.db2.gz LBUYRAJYMPMTLO-JOCHJYFZSA-N 1 0 383.311 2.891 20 0 GFADRO COc1cc(Br)ccc1C(=O)OC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000735890250 655654657 /nfs/dbraw/zinc/65/46/57/655654657.db2.gz JFLGJVHRVHRRNO-CQSZACIVSA-N 1 0 386.286 2.971 20 0 GFADRO O=C(/C=C\c1ccc(Br)o1)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000736233618 655660422 /nfs/dbraw/zinc/66/04/22/655660422.db2.gz ZXOGDRRUGLSOKN-LSYFEZSPSA-N 1 0 383.286 2.672 20 0 GFADRO CC(C)Oc1nn(CN2CCC(CC[NH+]3CCOCC3)CC2)c(=S)s1 ZINC000738112113 655685496 /nfs/dbraw/zinc/68/54/96/655685496.db2.gz SHPVJAIOQDNEQC-UHFFFAOYSA-N 1 0 386.587 2.853 20 0 GFADRO CCS(=O)(=O)c1ccc2oc(=S)n(CN3CCC[C@@H]([NH+](C)C)C3)c2c1 ZINC000738144630 655685836 /nfs/dbraw/zinc/68/58/36/655685836.db2.gz RHYXQSNYGPAPMB-CYBMUJFWSA-N 1 0 383.539 2.741 20 0 GFADRO O[C@H](CNC(=S)NC1CC[NH+](Cc2ccccc2)CC1)c1ccsc1 ZINC000739437812 655693492 /nfs/dbraw/zinc/69/34/92/655693492.db2.gz RZNIFUWPTWRXFQ-GOSISDBHSA-N 1 0 375.563 2.910 20 0 GFADRO C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)/C=C\c1ccc(Br)o1 ZINC000740684916 655698265 /nfs/dbraw/zinc/69/82/65/655698265.db2.gz UWAVRQAIHNIKDO-VURMDHGXSA-N 1 0 392.253 2.855 20 0 GFADRO C[NH+]1CCC2(CCN2C(=O)C[C@@H]2Sc3ccc(Cl)cc3NC2=O)CC1 ZINC000742185984 655711494 /nfs/dbraw/zinc/71/14/94/655711494.db2.gz ONWHCLMBJDCYLP-HNNXBMFYSA-N 1 0 379.913 2.840 20 0 GFADRO Cc1n[nH]c(C(=O)N2CC[C@H]([N@H+](C)Cc3ccccc3)C2)c1Br ZINC000742789710 655721972 /nfs/dbraw/zinc/72/19/72/655721972.db2.gz AQCRGEUJMXYLSU-AWEZNQCLSA-N 1 0 377.286 2.827 20 0 GFADRO O=S(=O)(CC[NH2+][C@H]1CCC[C@H](c2cccc(Cl)c2)C1)N1CCOCC1 ZINC000840728220 661179647 /nfs/dbraw/zinc/17/96/47/661179647.db2.gz UWGXCJZOYMHXAR-WMZOPIPTSA-N 1 0 386.945 2.618 20 0 GFADRO CC(C)[NH+]1CCC(NC(=O)COC(=O)/C=C/c2ccc(Br)o2)CC1 ZINC000744490523 655740964 /nfs/dbraw/zinc/74/09/64/655740964.db2.gz BEUUBAPBDSSNSU-GQCTYLIASA-N 1 0 399.285 2.588 20 0 GFADRO CC(C)[NH+]1CCC(NC(=O)COC(=O)c2sccc2Br)CC1 ZINC000744789532 655744975 /nfs/dbraw/zinc/74/49/75/655744975.db2.gz JDBIRPAEUQVVMY-UHFFFAOYSA-N 1 0 389.315 2.656 20 0 GFADRO C[C@@H]1CC[N@H+](CCNC(=O)C(=O)Nc2ccccc2SC(F)(F)F)C1 ZINC000746047089 655757797 /nfs/dbraw/zinc/75/77/97/655757797.db2.gz VWPIMEYSJCCERC-LLVKDONJSA-N 1 0 375.416 2.695 20 0 GFADRO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)c2ccc(Cl)c(S(C)(=O)=O)c2)C1 ZINC000746343011 655760331 /nfs/dbraw/zinc/76/03/31/655760331.db2.gz CVMSDCRAXUGBHI-CQSZACIVSA-N 1 0 384.929 2.547 20 0 GFADRO C[N@H+](CC1CC1)C[C@@H]1CCN(Cn2nnn(Cc3cccs3)c2=S)C1 ZINC000746383632 655760726 /nfs/dbraw/zinc/76/07/26/655760726.db2.gz XOUOHDUCZKHEPB-HNNXBMFYSA-N 1 0 378.571 2.540 20 0 GFADRO C[NH+]1CCC(NC(=S)N2CCc3c(F)ccc(Br)c3C2)CC1 ZINC000840768225 661185088 /nfs/dbraw/zinc/18/50/88/661185088.db2.gz VKKSXEQEBGLPBL-UHFFFAOYSA-N 1 0 386.334 2.915 20 0 GFADRO COC(=O)c1cc(S(=O)(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)c(Cl)cc1Cl ZINC000747280261 655775951 /nfs/dbraw/zinc/77/59/51/655775951.db2.gz XIJCCJJIGMOCRO-VHSXEESVSA-N 1 0 395.308 2.541 20 0 GFADRO Cc1csc([C@@](O)(CC(=O)N[C@H](C)C(C)(C)C[NH+](C)C)C(F)(F)F)n1 ZINC000747982329 655786037 /nfs/dbraw/zinc/78/60/37/655786037.db2.gz ZDWFCNIUDIVFPJ-ABAIWWIYSA-N 1 0 381.464 2.684 20 0 GFADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@@H](C)[C@H](O)c1ccc(F)cc1 ZINC000840722990 661178485 /nfs/dbraw/zinc/17/84/85/661178485.db2.gz MKQOYOWXXCACGH-PEBVRCNWSA-N 1 0 383.261 2.850 20 0 GFADRO C[C@H](CNC(=O)c1cc(Br)c2c(c1)OCCO2)[NH+]1CCCCC1 ZINC000748714314 655794358 /nfs/dbraw/zinc/79/43/58/655794358.db2.gz JNMLGQITAFFMMS-GFCCVEGCSA-N 1 0 383.286 2.825 20 0 GFADRO C[NH+]1CCN(c2ccc(Br)cc2NC(=O)c2ccnc(F)c2)CC1 ZINC000748725137 655794533 /nfs/dbraw/zinc/79/45/33/655794533.db2.gz XVKCCLPKBDGQBY-UHFFFAOYSA-N 1 0 393.260 2.987 20 0 GFADRO CC(C)(C)O[C@H]1C[C@H]([NH2+]C2CCN(S(=O)(=O)C(F)(F)F)CC2)C1(C)C ZINC000840725796 661179023 /nfs/dbraw/zinc/17/90/23/661179023.db2.gz VUWFZOPIIVQAOA-STQMWFEESA-N 1 0 386.480 2.872 20 0 GFADRO COCCN(CC[NH+](C)C)C(=S)N[C@@H](C)c1ccc(Br)cc1 ZINC000840725164 661179153 /nfs/dbraw/zinc/17/91/53/661179153.db2.gz DWQYJCDKTPZOOC-ZDUSSCGKSA-N 1 0 388.375 2.895 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CNC(=S)NCc1ccc(OC)c(Br)c1 ZINC000751034883 655820666 /nfs/dbraw/zinc/82/06/66/655820666.db2.gz IMWLASSKHUGLCH-CYBMUJFWSA-N 1 0 386.359 2.906 20 0 GFADRO O=C(NC[C@@H]1CC1(Cl)Cl)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000751604892 655831596 /nfs/dbraw/zinc/83/15/96/655831596.db2.gz BMLKYROLJOEURG-AWEZNQCLSA-N 1 0 378.344 2.762 20 0 GFADRO COCC[N@@H+]1CC[C@@H](NC(=O)N[C@H]2CCOc3c(Cl)c(Cl)ccc32)C1 ZINC000753151197 655850874 /nfs/dbraw/zinc/85/08/74/655850874.db2.gz SHDIHQQHUVSLSA-RISCZKNCSA-N 1 0 388.295 2.837 20 0 GFADRO COCC[N@@H+]1CC[C@H](NC(=O)N[C@H]2CCOc3c(Cl)c(Cl)ccc32)C1 ZINC000753151196 655850895 /nfs/dbraw/zinc/85/08/95/655850895.db2.gz SHDIHQQHUVSLSA-FZMZJTMJSA-N 1 0 388.295 2.837 20 0 GFADRO C[C@@H](NC(=O)C[NH2+][C@H](C)c1cccc(NS(C)(=O)=O)c1)c1cccs1 ZINC000753913032 655860882 /nfs/dbraw/zinc/86/08/82/655860882.db2.gz SQORDDWRIGVZOI-CHWSQXEVSA-N 1 0 381.523 2.648 20 0 GFADRO CCO[C@@H](CC[NH+](C)C)CNC(=S)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000753967658 655861601 /nfs/dbraw/zinc/86/16/01/655861601.db2.gz XJBFAAMFWFXKAI-LBPRGKRZSA-N 1 0 375.441 2.651 20 0 GFADRO COc1c(F)cc(Br)cc1S(=O)(=O)N(C)CCCC[NH+](C)C ZINC000754320845 655866358 /nfs/dbraw/zinc/86/63/58/655866358.db2.gz FNKWTKLYIUEVLD-UHFFFAOYSA-N 1 0 397.310 2.559 20 0 GFADRO C[NH+]1CCC(CNC(=S)NNc2cc(F)ccc2Br)CC1 ZINC000840863267 661196704 /nfs/dbraw/zinc/19/67/04/661196704.db2.gz MTZSIGPIYQUFDN-UHFFFAOYSA-N 1 0 375.311 2.721 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CNC(=S)NCc1nc(C)c(Br)s1 ZINC000840781515 661187463 /nfs/dbraw/zinc/18/74/63/661187463.db2.gz VNHNWLWYJUVUHY-SNVBAGLBSA-N 1 0 377.377 2.662 20 0 GFADRO C[C@H]([NH2+]CCC(C)(C)S(C)(=O)=O)[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000840874913 661197510 /nfs/dbraw/zinc/19/75/10/661197510.db2.gz AYVQZZYNPCRRSC-GJZGRUSLSA-N 1 0 376.563 2.967 20 0 GFADRO Cc1ccc(-n2nc(Br)cc2C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000755236188 655881465 /nfs/dbraw/zinc/88/14/65/655881465.db2.gz ZVRPBHFIMZBCTJ-CYBMUJFWSA-N 1 0 389.297 2.910 20 0 GFADRO CCOC(=O)/C=C/C[N@@H+]1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000756091266 655894507 /nfs/dbraw/zinc/89/45/07/655894507.db2.gz FINLFXUTNBYNSL-DIECRNLCSA-N 1 0 396.285 2.614 20 0 GFADRO Cc1ccc(N2N=C(Br)C[C@@H]2C(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000756097825 655894708 /nfs/dbraw/zinc/89/47/08/655894708.db2.gz CYEQTSGZZPLHQW-OFQRWUPVSA-N 1 0 393.329 2.881 20 0 GFADRO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1cccnc1I ZINC000757873573 655917895 /nfs/dbraw/zinc/91/78/95/655917895.db2.gz BGRQCYNZULYPHL-GFCCVEGCSA-N 1 0 389.281 2.927 20 0 GFADRO Cn1nc(Br)cc1C(=O)NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000758057527 655922285 /nfs/dbraw/zinc/92/22/85/655922285.db2.gz QBHCXEZIDZLQNV-SFHVURJKSA-N 1 0 391.313 2.967 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+]CC2([C@H](O)c3ccccc3)CC2)cc1Cl ZINC000840908130 661205341 /nfs/dbraw/zinc/20/53/41/661205341.db2.gz UOJIHIXSNMHFBH-QGZVFWFLSA-N 1 0 380.897 2.591 20 0 GFADRO Cn1ncc(C(=O)N2CCC(C[NH+]3CCCCCC3)CC2)c1Br ZINC000760175736 655971146 /nfs/dbraw/zinc/97/11/46/655971146.db2.gz VDLUJPRCJYPSRZ-UHFFFAOYSA-N 1 0 383.334 2.911 20 0 GFADRO CS[C@H]1CN(C(=O)c2c(C)nn(-c3ccccc3)c2Cl)C[C@H]1[NH+](C)C ZINC000760209543 655972608 /nfs/dbraw/zinc/97/26/08/655972608.db2.gz SMMUWGFGTJHJHO-CABCVRRESA-N 1 0 378.929 2.952 20 0 GFADRO C[NH+]1CCC(CNC(=S)NCCc2ccc(OC(F)(F)F)cc2)CC1 ZINC000760467868 655981723 /nfs/dbraw/zinc/98/17/23/655981723.db2.gz LODCKCCVSKQMPK-UHFFFAOYSA-N 1 0 375.460 2.934 20 0 GFADRO CC1CC[NH+](CCN2C(=O)N[C@](C)(c3cccc(Br)c3)C2=O)CC1 ZINC000761021626 655996879 /nfs/dbraw/zinc/99/68/79/655996879.db2.gz XFVZITZOFVABNW-GOSISDBHSA-N 1 0 394.313 2.948 20 0 GFADRO C[C@H](CN1C(=O)N[C@](C)(c2cccc(Br)c2)C1=O)C[NH+]1CCCC1 ZINC000761102796 655998336 /nfs/dbraw/zinc/99/83/36/655998336.db2.gz ZOSDUGJEKVUEDV-SCLBCKFNSA-N 1 0 394.313 2.948 20 0 GFADRO C[NH+](C)C1(CN2C(=O)N[C@@](C)(c3cccc(Br)c3)C2=O)CCC1 ZINC000761349378 656012886 /nfs/dbraw/zinc/01/28/86/656012886.db2.gz FZRDBDXYVHITFV-INIZCTEOSA-N 1 0 380.286 2.700 20 0 GFADRO O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)N[C@@H]1CC[C@H]2SCCS[C@@H]12 ZINC000762635721 656053739 /nfs/dbraw/zinc/05/37/39/656053739.db2.gz ZTSRHFRYDIMVLP-TVFCKZIOSA-N 1 0 377.579 2.940 20 0 GFADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)Nc1ccc(Cl)cc1OC(F)F ZINC000762956041 656066564 /nfs/dbraw/zinc/06/65/64/656066564.db2.gz RVGFTVLCTCBGLG-VXGBXAGGSA-N 1 0 375.803 2.926 20 0 GFADRO CCSc1nn(CN2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)c(=S)s1 ZINC000763336781 656079752 /nfs/dbraw/zinc/07/97/52/656079752.db2.gz NKPKRYFWABLVNV-ZIAGYGMSSA-N 1 0 387.644 2.701 20 0 GFADRO C[C@@H]1C[C@H](C[NH2+]CCC(C)(C)S(C)(=O)=O)CCN1C(=O)OC(C)(C)C ZINC000840960884 661221477 /nfs/dbraw/zinc/22/14/77/661221477.db2.gz XAZGLBJRIKSHPW-HUUCEWRRSA-N 1 0 376.563 2.825 20 0 GFADRO C[N@H+](CC(=O)NC[C@](O)(c1ccc(Cl)cc1)C(F)(F)F)[C@@H]1CCSC1 ZINC000764071898 656100131 /nfs/dbraw/zinc/10/01/31/656100131.db2.gz VRBGVGDKQNVNKV-HIFRSBDPSA-N 1 0 396.862 2.643 20 0 GFADRO C[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc2cc(Br)ccc2c1 ZINC000764258182 656106520 /nfs/dbraw/zinc/10/65/20/656106520.db2.gz SIYGZLFUKYHDAJ-MRXNPFEDSA-N 1 0 390.281 2.751 20 0 GFADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)N1CCc2cc(Br)cc(F)c21 ZINC000764351768 656108923 /nfs/dbraw/zinc/10/89/23/656108923.db2.gz BWMTZOAIYMWLBC-KGLIPLIRSA-N 1 0 398.276 2.524 20 0 GFADRO Cn1ncc(C(=O)N2C[C@@H]3CCC[N@@H+]3Cc3ccccc32)c1Br ZINC000765000699 656125353 /nfs/dbraw/zinc/12/53/53/656125353.db2.gz NSNNPZZZIBRHIB-ZDUSSCGKSA-N 1 0 375.270 2.807 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)Nc2cc3c(cc2Br)OCCO3)C1 ZINC000841015881 661227794 /nfs/dbraw/zinc/22/77/94/661227794.db2.gz PKRYCPCWUGPVTN-WDEREUQCSA-N 1 0 384.274 2.811 20 0 GFADRO O=S(=O)(Cc1ccccc1)NCC[NH2+][C@@H]1CSCCc2ccccc21 ZINC000765281901 656139576 /nfs/dbraw/zinc/13/95/76/656139576.db2.gz WNKFYCDNMWZTRQ-LJQANCHMSA-N 1 0 376.547 2.726 20 0 GFADRO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)C2SCCCS2)c1 ZINC000841057474 661229932 /nfs/dbraw/zinc/22/99/32/661229932.db2.gz HSKAEYQXVGZGSP-UHFFFAOYSA-N 1 0 381.567 2.893 20 0 GFADRO C[C@@H]1CCC[N@@H+]1CCNC(=O)C(=O)Nc1cc(Cl)ccc1Br ZINC000766495138 656173180 /nfs/dbraw/zinc/17/31/80/656173180.db2.gz ZCUSNVWBQYDCBK-SNVBAGLBSA-N 1 0 388.693 2.642 20 0 GFADRO COC(=O)c1cc(S(=O)(=O)NCC[N@@H+]2CCCC(C)(C)C2)ccc1Cl ZINC000767637564 656212233 /nfs/dbraw/zinc/21/22/33/656212233.db2.gz LKIVKIWMXPOFHU-UHFFFAOYSA-N 1 0 388.917 2.527 20 0 GFADRO CCCCCSc1nc2ccc(NC(=O)C(=O)NCCC[NH3+])cc2s1 ZINC000841145888 661238190 /nfs/dbraw/zinc/23/81/90/661238190.db2.gz MEQTZZAWRGPFJS-UHFFFAOYSA-N 1 0 380.539 2.982 20 0 GFADRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2Cn2c3cc(Br)ccc3oc2=O)C1 ZINC000768505979 656240569 /nfs/dbraw/zinc/24/05/69/656240569.db2.gz ZUZQKQWYRIOLJQ-JSGCOSHPSA-N 1 0 380.286 2.731 20 0 GFADRO O=C(NC[C@H]1CCCC[NH2+]1)C(=O)Nc1ccc2cc(Br)ccc2c1 ZINC000841159828 661240159 /nfs/dbraw/zinc/24/01/59/661240159.db2.gz NFZFKZNTXBVCCS-MRXNPFEDSA-N 1 0 390.281 2.799 20 0 GFADRO Cc1cc(Br)ncc1NC(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000768992955 656262740 /nfs/dbraw/zinc/26/27/40/656262740.db2.gz JXXNDZLVQKTWPS-GJZGRUSLSA-N 1 0 397.317 2.652 20 0 GFADRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)Nc1cccc(Cl)c1SC(F)F ZINC000841201695 661243891 /nfs/dbraw/zinc/24/38/91/661243891.db2.gz USGYTVYBBYJXED-DTWKUNHWSA-N 1 0 377.844 2.789 20 0 GFADRO C[NH2+]CCN(C)C(=O)C(=O)Nc1ccccc1SC[C@@H]1CC1(Cl)Cl ZINC000841203014 661243948 /nfs/dbraw/zinc/24/39/48/661243948.db2.gz KAIARQMZAKEKBK-NSHDSACASA-N 1 0 390.336 2.589 20 0 GFADRO C[C@@H](CNC(=O)c1cccnc1I)[NH+]1CCC(C)CC1 ZINC000770481556 656320551 /nfs/dbraw/zinc/32/05/51/656320551.db2.gz PNWKVJVXOQUSAE-LBPRGKRZSA-N 1 0 387.265 2.536 20 0 GFADRO O=C(NC[C@H](O)c1ccccc1Br)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000841303389 661251719 /nfs/dbraw/zinc/25/17/19/661251719.db2.gz DIIXYVNSQIOHFY-KRWDZBQOSA-N 1 0 390.281 2.950 20 0 GFADRO C[NH+](C)C[C@H]1CCCN1C(=O)c1cc(=O)c2cc(Br)ccc2o1 ZINC000841388623 661258248 /nfs/dbraw/zinc/25/82/48/661258248.db2.gz SNKGEFFOPBMIPJ-GFCCVEGCSA-N 1 0 379.254 2.722 20 0 GFADRO COCC[N@@H+]1CC[C@@H](NC(=O)Cc2sc(SC3CCCC3)nc2C)C1 ZINC000841390742 661258817 /nfs/dbraw/zinc/25/88/17/661258817.db2.gz IJMCLJWICDYVMM-CQSZACIVSA-N 1 0 383.583 2.866 20 0 GFADRO CC1(C[NH2+][C@@H]2CCCOc3ccc(I)cc32)OCCO1 ZINC000773140949 656400866 /nfs/dbraw/zinc/40/08/66/656400866.db2.gz XXEDQIVJTJNOTF-CYBMUJFWSA-N 1 0 389.233 2.858 20 0 GFADRO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)NCC1([NH+](C)C)CC1 ZINC000841455448 661267080 /nfs/dbraw/zinc/26/70/80/661267080.db2.gz SKNGSPUDSNVXTR-UHFFFAOYSA-N 1 0 379.254 2.688 20 0 GFADRO O[C@@H](C[NH2+][C@@H]1CCCN(c2ncccn2)C1)c1ccc(F)c(Br)c1 ZINC000774614076 656541141 /nfs/dbraw/zinc/54/11/41/656541141.db2.gz KFYOFDPRONCISS-CJNGLKHVSA-N 1 0 395.276 2.670 20 0 GFADRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)C(=O)NCCc2ccc(Cl)cc2Cl)C1 ZINC000774725964 656549833 /nfs/dbraw/zinc/54/98/33/656549833.db2.gz SNIYALCBCWMZQD-GJZGRUSLSA-N 1 0 386.323 2.641 20 0 GFADRO NC(=O)C[C@H]([NH2+]Cc1nc2ccc(Br)cc2s1)C1CCOCC1 ZINC000774997114 656582889 /nfs/dbraw/zinc/58/28/89/656582889.db2.gz LCMAIGKFFFZCIU-ZDUSSCGKSA-N 1 0 398.326 2.819 20 0 GFADRO Cc1cc(Br)cc(C[NH2+]C[C@H]2CCC[C@@H]2NS(C)(=O)=O)c1 ZINC000775004515 656585127 /nfs/dbraw/zinc/58/51/27/656585127.db2.gz OYZDRZCRYDJVQL-HIFRSBDPSA-N 1 0 375.332 2.565 20 0 GFADRO CC(C)(C)OC(=O)N1CCN(CC[NH2+][C@@H]2CC[C@H]3SCCS[C@@H]23)CC1 ZINC000775379726 656634386 /nfs/dbraw/zinc/63/43/86/656634386.db2.gz JPBOZVXBBGVKHR-OAGGEKHMSA-N 1 0 387.615 2.508 20 0 GFADRO CC(C)N(CCC[NH2+][C@H]1CCCC[C@@H]1S(C)(=O)=O)C(=O)OC(C)(C)C ZINC000775385605 656635180 /nfs/dbraw/zinc/63/51/80/656635180.db2.gz MCQLLIVDKDGRSM-HOTGVXAUSA-N 1 0 376.563 2.967 20 0 GFADRO CNC(=O)[C@H](Cc1c[nH]c2ccccc12)[NH2+][C@@H]1CC[C@@H]2SCCS[C@H]12 ZINC000775395605 656637176 /nfs/dbraw/zinc/63/71/76/656637176.db2.gz WHSPLNGGLUOLIT-VSZNYVQBSA-N 1 0 375.563 2.794 20 0 GFADRO CNC(=O)[C@H](Cc1c[nH]c2ccccc12)[NH2+][C@@H]1CC[C@H]2SCCS[C@@H]12 ZINC000775395610 656637276 /nfs/dbraw/zinc/63/72/76/656637276.db2.gz WHSPLNGGLUOLIT-XDNAFOTISA-N 1 0 375.563 2.794 20 0 GFADRO COCCN(CC[NH2+][C@@H]1CC[C@@H]2SCCS[C@@H]12)C(=O)OC(C)(C)C ZINC000775421656 656637958 /nfs/dbraw/zinc/63/79/58/656637958.db2.gz IRRGMRNGCLELFP-ILXRZTDVSA-N 1 0 376.588 2.839 20 0 GFADRO CC(C)(O)C[N@H+](C[C@@H](O)c1ccc(F)c(Br)c1)C1CCOCC1 ZINC000775614604 656657584 /nfs/dbraw/zinc/65/75/84/656657584.db2.gz HKKYWLDAQZXRHR-MRXNPFEDSA-N 1 0 390.293 2.874 20 0 GFADRO COc1ccccc1[C@H](CO)[NH2+]C[C@H](O)c1ccc(F)c(Br)c1 ZINC000775659334 656660465 /nfs/dbraw/zinc/66/04/65/656660465.db2.gz CZHZLRFEERRXLE-HOTGVXAUSA-N 1 0 384.245 2.953 20 0 GFADRO COC(=O)N1CCC[C@H]([C@@H](C)[NH2+]C[C@H](O)c2ccccc2Br)C1 ZINC000775815825 656682375 /nfs/dbraw/zinc/68/23/75/656682375.db2.gz NDZQKEUPVSYRDY-WWGRRREGSA-N 1 0 385.302 2.939 20 0 GFADRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1Cn1nc(Cc2cccs2)oc1=S ZINC000780477924 657008721 /nfs/dbraw/zinc/00/87/21/657008721.db2.gz BSYVAVPCUHDOGP-ZDUSSCGKSA-N 1 0 382.555 2.592 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)CCC[N@@H+]1CCCNC(=O)C1 ZINC000782040982 657097188 /nfs/dbraw/zinc/09/71/88/657097188.db2.gz GHXOXHRGEKOFSS-UHFFFAOYSA-N 1 0 382.302 2.607 20 0 GFADRO CN(CC[NH+]1CCCC1)C(=O)C(=O)Nc1cccc(C2SCCS2)c1 ZINC000783980247 657279576 /nfs/dbraw/zinc/27/95/76/657279576.db2.gz QMPVGAZPOWTRRH-UHFFFAOYSA-N 1 0 379.551 2.658 20 0 GFADRO Cn1ncc(Br)c1C[NH2+]C[C@H](O)c1ccc(OC(F)(F)F)cc1 ZINC000785443481 657365484 /nfs/dbraw/zinc/36/54/84/657365484.db2.gz WTPXEWBRGASQEO-ZDUSSCGKSA-N 1 0 394.191 2.904 20 0 GFADRO Cn1nc(Br)cc1C[NH2+][C@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1 ZINC000785509079 657370598 /nfs/dbraw/zinc/37/05/98/657370598.db2.gz LPTPRZSWVNOOEM-HOCLYGCPSA-N 1 0 385.256 2.996 20 0 GFADRO COC(=O)c1ccc(CNC(=O)NCC2([NH+](C)C)CCC2)c(Br)c1 ZINC000785585330 657377277 /nfs/dbraw/zinc/37/72/77/657377277.db2.gz WLLTZBFHQSNHER-UHFFFAOYSA-N 1 0 398.301 2.519 20 0 GFADRO O=C(OCc1nnsc1Cl)c1ccc(C[NH+]2CCC(CO)CC2)cc1 ZINC000785710796 657383719 /nfs/dbraw/zinc/38/37/19/657383719.db2.gz FUCWZXWJQISXPU-UHFFFAOYSA-N 1 0 381.885 2.753 20 0 GFADRO C[C@@H]([NH2+]Cc1ccc(S(C)(=O)=O)s1)c1ccc(N2CCOC2=O)cc1 ZINC000786957262 657495114 /nfs/dbraw/zinc/49/51/14/657495114.db2.gz IOJGMBYXCQZLIH-GFCCVEGCSA-N 1 0 380.491 2.959 20 0 GFADRO C[NH+](C)CCN(Cc1ccccc1F)C(=O)c1ncc(Br)cn1 ZINC000786993883 657500701 /nfs/dbraw/zinc/50/07/01/657500701.db2.gz CLAGPCWZIBHDGC-UHFFFAOYSA-N 1 0 381.249 2.582 20 0 GFADRO O=C(NCc1cccc(C[NH+]2CCCC2)c1)c1ncc(Br)cn1 ZINC000786995358 657502113 /nfs/dbraw/zinc/50/21/13/657502113.db2.gz MQHYIWCJHDKGIE-UHFFFAOYSA-N 1 0 375.270 2.765 20 0 GFADRO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]C[C@@H](O)c2cc(F)cc(Cl)c2)c1 ZINC000787040045 657508156 /nfs/dbraw/zinc/50/81/56/657508156.db2.gz YPYRWVCSYHPKFM-PIGZYNQJSA-N 1 0 386.876 2.771 20 0 GFADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@@H]1COC2(CCCCC2)O1 ZINC000787757063 657594724 /nfs/dbraw/zinc/59/47/24/657594724.db2.gz BKATVDKXMFTJPD-UKRRQHHQSA-N 1 0 385.302 2.665 20 0 GFADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@@H](O)c1ccc(Cl)cc1 ZINC000788503044 657733031 /nfs/dbraw/zinc/73/30/31/657733031.db2.gz CCACLBPRUFNFNG-IAQYHMDHSA-N 1 0 385.689 2.976 20 0 GFADRO O=S(=O)(C(F)F)N1CCC(C[NH2+]Cc2ncc(C(F)(F)F)s2)CC1 ZINC000788520847 657736856 /nfs/dbraw/zinc/73/68/56/657736856.db2.gz YIDFANBWJPEVMP-UHFFFAOYSA-N 1 0 393.403 2.516 20 0 GFADRO CCN(CC)S(=O)(=O)c1ccc(CC[NH2+][C@@H](C)c2cc[nH]c(=O)c2)s1 ZINC000788588429 657747996 /nfs/dbraw/zinc/74/79/96/657747996.db2.gz MTKKVTZYCXUYHN-ZDUSSCGKSA-N 1 0 383.539 2.773 20 0 GFADRO CC[NH+]1CCC(CNS(=O)(=O)c2sc(C(=O)OC)c(Cl)c2C)CC1 ZINC000788599794 657751243 /nfs/dbraw/zinc/75/12/43/657751243.db2.gz AZARFDXKQSXFIH-UHFFFAOYSA-N 1 0 394.946 2.507 20 0 GFADRO O=S(=O)(C(F)F)N1CCC(C[NH2+][C@@H]2COCc3cccc(Cl)c32)CC1 ZINC000788637342 657758477 /nfs/dbraw/zinc/75/84/77/657758477.db2.gz ADNBYDKCDLQYHL-CQSZACIVSA-N 1 0 394.871 2.765 20 0 GFADRO Cc1nn(C)c(Cl)c1S(=O)(=O)N[C@H](C)[C@@H](c1ccccc1C)[NH+](C)C ZINC000788914311 657796619 /nfs/dbraw/zinc/79/66/19/657796619.db2.gz CDDNBVVLTUWCTB-DOMZBBRYSA-N 1 0 384.933 2.660 20 0 GFADRO COc1nc(Br)ccc1NC(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000789380165 657845230 /nfs/dbraw/zinc/84/52/30/657845230.db2.gz SGVHHYRIMYETLY-LBPRGKRZSA-N 1 0 383.290 2.945 20 0 GFADRO COc1ccc(Br)c(CC(=O)OC[C@@H]2C[N@@H+](C(C)C)CCO2)c1 ZINC000789773054 657889588 /nfs/dbraw/zinc/88/95/88/657889588.db2.gz NZKZJMRUTBTJBY-HNNXBMFYSA-N 1 0 386.286 2.653 20 0 GFADRO C[NH+](C)Cc1ccc(S(=O)(=O)N2CC[C@]3(C)[C@H](C2)C3(Cl)Cl)cc1 ZINC000790376339 657962366 /nfs/dbraw/zinc/96/23/66/657962366.db2.gz DGOYSEMDJJYCCO-LSDHHAIUSA-N 1 0 377.337 2.953 20 0 GFADRO Cc1c(C[N@H+](C)Cn2ccc(=O)c3cccc(Br)c32)cnn1C ZINC000790417985 657972202 /nfs/dbraw/zinc/97/22/02/657972202.db2.gz PIVSZGOYFNHHJS-UHFFFAOYSA-N 1 0 375.270 2.895 20 0 GFADRO COCC[N@H+](Cn1nc(C(=O)OC)c(Br)c1C)[C@H]1CC[C@H](C)C1 ZINC000790480305 657992181 /nfs/dbraw/zinc/99/21/81/657992181.db2.gz SKYJKNYDSIWZPA-AAEUAGOBSA-N 1 0 388.306 2.835 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)c2nc(Br)ccc2Br)CC[N@@H+]1C ZINC000790675275 658012014 /nfs/dbraw/zinc/01/20/14/658012014.db2.gz VXDCMQMIZIUKMO-RKDXNWHRSA-N 1 0 391.107 2.819 20 0 GFADRO COc1ccc([C@H](C[NH+]2CCCC2)NC(=O)c2cc(Br)n[nH]2)cc1 ZINC000791394066 658092244 /nfs/dbraw/zinc/09/22/44/658092244.db2.gz XKPDFEINJVDKJP-HNNXBMFYSA-N 1 0 393.285 2.748 20 0 GFADRO Cc1ccc(Br)c(C(=O)OCCCN2CC[NH+](C(C)C)CC2)c1N ZINC000792129538 658237210 /nfs/dbraw/zinc/23/72/10/658237210.db2.gz NCVKGLQVAUBQPI-UHFFFAOYSA-N 1 0 398.345 2.913 20 0 GFADRO CC(C)(CNC(=O)c1cccnc1I)C[NH+]1CCCC1 ZINC000792521995 658295730 /nfs/dbraw/zinc/29/57/30/658295730.db2.gz UXFYDHAAEIIJNA-UHFFFAOYSA-N 1 0 387.265 2.538 20 0 GFADRO COc1ccc(Cl)cc1NC(=S)NCC1CC[NH+](CCN(C)C)CC1 ZINC000792677050 658308976 /nfs/dbraw/zinc/30/89/76/658308976.db2.gz JHTYBHVPYUWSKK-UHFFFAOYSA-N 1 0 384.977 2.909 20 0 GFADRO C[C@@]12CC[N@H+](CCN(Cc3ccccc3)S(C)(=O)=O)C[C@@H]1C2(Cl)Cl ZINC000792916650 658330341 /nfs/dbraw/zinc/33/03/41/658330341.db2.gz ZMZHYPYLWGPEED-JKSUJKDBSA-N 1 0 391.364 2.964 20 0 GFADRO CCOC(=O)C(F)(F)[C@H]1CC[C@@H]([NH2+]Cc2ccc(S(=O)(=O)CC)s2)C1 ZINC000793208113 658371640 /nfs/dbraw/zinc/37/16/40/658371640.db2.gz XKISIHJKJVFCIE-NWDGAFQWSA-N 1 0 395.493 2.998 20 0 GFADRO Cc1cc(Br)cn2c(C[NH2+]C(C)(C)C(=O)N3CCCC3)cnc12 ZINC000793396072 658392721 /nfs/dbraw/zinc/39/27/21/658392721.db2.gz USPORTBKKSHPSD-UHFFFAOYSA-N 1 0 379.302 2.896 20 0 GFADRO COC(=O)c1ccc(C[N@@H+]2CCC[C@H](C3OCCO3)C2)c(Br)c1 ZINC000793580428 658408753 /nfs/dbraw/zinc/40/87/53/658408753.db2.gz QMFWSZIHFDCVRX-AWEZNQCLSA-N 1 0 384.270 2.821 20 0 GFADRO COC(=O)c1ccc(C[NH2+]CCNC(=O)OC(C)(C)C)c(Br)c1 ZINC000793585557 658411088 /nfs/dbraw/zinc/41/10/88/658411088.db2.gz CMNJJRCNUFRAOU-UHFFFAOYSA-N 1 0 387.274 2.850 20 0 GFADRO CCC[N@H+](CC)C[C@H](C)NC(=O)c1ccc(CS(=O)(=O)C(F)F)cc1 ZINC000794256528 658508238 /nfs/dbraw/zinc/50/82/38/658508238.db2.gz GZJWGRMYIZTDME-ZDUSSCGKSA-N 1 0 376.469 2.674 20 0 GFADRO O=C(Nc1cccc(C[N@H+]2CC[C@H](O)C2)c1)c1cccnc1Br ZINC000794592425 658572525 /nfs/dbraw/zinc/57/25/25/658572525.db2.gz KOTZAFBWYXYUNT-AWEZNQCLSA-N 1 0 376.254 2.663 20 0 GFADRO O=c1oc2cccc(Br)c2n1CN1CCN(c2cc[nH+]cc2)CC1 ZINC000794616136 658577939 /nfs/dbraw/zinc/57/79/39/658577939.db2.gz GHLFIKPNSOTHHH-UHFFFAOYSA-N 1 0 389.253 2.532 20 0 GFADRO O=c1oc2cccc(Br)c2n1CN1CC[C@H](C[NH+]2CCCC2)C1 ZINC000794631571 658584209 /nfs/dbraw/zinc/58/42/09/658584209.db2.gz GPASRFALOQLZJT-CYBMUJFWSA-N 1 0 380.286 2.732 20 0 GFADRO C[N@@H+]1CCC[C@H]2CN(Cn3c(=O)oc4cccc(Br)c43)CC[C@@H]21 ZINC000794635400 658585790 /nfs/dbraw/zinc/58/57/90/658585790.db2.gz VMKNDQFVDKDRBE-JSGCOSHPSA-N 1 0 380.286 2.731 20 0 GFADRO COC(=O)c1c2cnn(C[N@@H+]3CCC[C@@](C)(O)CC3)c2ccc1Br ZINC000794671702 658594560 /nfs/dbraw/zinc/59/45/60/658594560.db2.gz CXZWUADZYNNJQI-QGZVFWFLSA-N 1 0 396.285 2.780 20 0 GFADRO CC[N@H+](CC1CCC1)CN1C(=O)C(=O)N(c2ccc(Br)cc2)C1=O ZINC000794688898 658596790 /nfs/dbraw/zinc/59/67/90/658596790.db2.gz WHUIHMTXWUPICI-UHFFFAOYSA-N 1 0 394.269 2.824 20 0 GFADRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1Cn1nc(Br)c(=O)c2ccccc21 ZINC000795705031 658842834 /nfs/dbraw/zinc/84/28/34/658842834.db2.gz INAMJJBXPCEFQQ-KBPBESRZSA-N 1 0 391.313 2.675 20 0 GFADRO CC(=O)N(c1nn(CN2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)c(=S)s1)C1CC1 ZINC000795707134 658843472 /nfs/dbraw/zinc/84/34/72/658843472.db2.gz XYJVTHCGMRDAID-WFASDCNBSA-N 1 0 381.571 2.705 20 0 GFADRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1Cn1nnn(-c2ccc(Cl)cc2)c1=S ZINC000795709818 658843521 /nfs/dbraw/zinc/84/35/21/658843521.db2.gz ZWPRCLCIVBZYKL-BBRMVZONSA-N 1 0 378.933 2.968 20 0 GFADRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1Cn1nnn(-c2ccc(Cl)cc2)c1=S ZINC000795709819 658843878 /nfs/dbraw/zinc/84/38/78/658843878.db2.gz ZWPRCLCIVBZYKL-CJNGLKHVSA-N 1 0 378.933 2.968 20 0 GFADRO OC[C@@H]([NH2+]CCOc1c(Br)cccc1Br)C1CC1 ZINC000796448734 658918119 /nfs/dbraw/zinc/91/81/19/658918119.db2.gz HKTNLPPYJTZRFH-GFCCVEGCSA-N 1 0 379.092 2.951 20 0 GFADRO COc1cccc(-c2n[nH]cc2C[NH2+]CCn2cc(Br)cn2)c1 ZINC000796512596 658921244 /nfs/dbraw/zinc/92/12/44/658921244.db2.gz FZKYQBTYJABHIY-UHFFFAOYSA-N 1 0 376.258 2.834 20 0 GFADRO CC(C)([NH2+]C[C@@H](O)COc1ccc(Cl)cc1Cl)C(=O)N1CCCC1 ZINC000796580058 658924525 /nfs/dbraw/zinc/92/45/25/658924525.db2.gz NKFCDNHRKXHSCX-CYBMUJFWSA-N 1 0 375.296 2.724 20 0 GFADRO Cc1cc(C[NH2+]CC2CCN(S(=O)(=O)C(F)(F)F)CC2)cc(Cl)n1 ZINC000797600097 659037798 /nfs/dbraw/zinc/03/77/98/659037798.db2.gz FKNZMPDHWMLBNZ-UHFFFAOYSA-N 1 0 385.839 2.695 20 0 GFADRO CC[C@H]1C[N@H+](C)CCCN1C(=O)CCN1C(=S)N=NC1c1cccs1 ZINC000798142574 659076078 /nfs/dbraw/zinc/07/60/78/659076078.db2.gz ZUZNPJZKNWVMNO-ZDUSSCGKSA-N 1 0 379.555 2.628 20 0 GFADRO O=S(=O)(N1CCC([NH2+][C@H](c2cncc(F)c2)C2CC2)CC1)C(F)(F)F ZINC000798930775 659157968 /nfs/dbraw/zinc/15/79/68/659157968.db2.gz ZANGFJMZUSMBCP-AWEZNQCLSA-N 1 0 381.395 2.575 20 0 GFADRO CC(C)[N@@H+]1CC[C@H](CNC(=O)NC[C@H](O)c2cccc(Br)c2)C1 ZINC000799940367 659247718 /nfs/dbraw/zinc/24/77/18/659247718.db2.gz UDTHOPJAQQZUBK-CJNGLKHVSA-N 1 0 384.318 2.512 20 0 GFADRO Cn1nc(Br)cc1C[NH2+][C@H]1CCN(C(=O)Nc2ccccc2)C1 ZINC000800901900 659345688 /nfs/dbraw/zinc/34/56/88/659345688.db2.gz NSPLDXZONUWZNZ-ZDUSSCGKSA-N 1 0 378.274 2.579 20 0 GFADRO Cc1nn(C)c(Br)c1C(=O)N(CC[NH+](C)C)Cc1cccs1 ZINC000801165890 659372899 /nfs/dbraw/zinc/37/28/99/659372899.db2.gz CHPXCOHXISTJAV-UHFFFAOYSA-N 1 0 385.331 2.757 20 0 GFADRO O=C(C[NH2+][C@H]1CCc2ccccc2OC1)Nc1ccc(Br)cn1 ZINC000801571677 659406014 /nfs/dbraw/zinc/40/60/14/659406014.db2.gz ZFXWVLFBYFAZOH-AWEZNQCLSA-N 1 0 376.254 2.766 20 0 GFADRO CC[NH+]1CCC(CCNC(=O)NC[C@@H](O)c2cccc(Br)c2)CC1 ZINC000801754378 659422720 /nfs/dbraw/zinc/42/27/20/659422720.db2.gz GFZBGKXQZNHUBG-QGZVFWFLSA-N 1 0 398.345 2.904 20 0 GFADRO C[C@@H](CNS(=O)(=O)Cc1ccccc1Br)[NH+]1CCCCC1 ZINC000804961509 659703983 /nfs/dbraw/zinc/70/39/83/659703983.db2.gz YROSRFQBBWIKTQ-ZDUSSCGKSA-N 1 0 375.332 2.743 20 0 GFADRO Cc1nc(Cl)ccc1S(=O)(=O)N(CC[NH+](C)C)Cc1cccc(F)c1 ZINC000804972261 659706079 /nfs/dbraw/zinc/70/60/79/659706079.db2.gz CQJTVENSBYPQJM-UHFFFAOYSA-N 1 0 385.892 2.935 20 0 GFADRO Cc1nc(NC(=O)CC[C@H]2CCCC[N@@H+]2C)sc1C1N=NC(=S)N1C ZINC000806386279 659831089 /nfs/dbraw/zinc/83/10/89/659831089.db2.gz IUHNGIYGZIGJAO-LLVKDONJSA-N 1 0 380.543 2.739 20 0 GFADRO CCOC(=O)C(F)(F)[C@H]1CC[C@@H]([NH2+]CCCn2cc(Br)cn2)C1 ZINC000806657567 659839124 /nfs/dbraw/zinc/83/91/24/659839124.db2.gz ADQIOSYJYSPQRY-WCQYABFASA-N 1 0 394.260 2.992 20 0 GFADRO CCCC[N@H+](C)C[C@H](C)Nc1nc(CS(C)(=O)=O)nc(Cl)c1CC ZINC000808176170 659880652 /nfs/dbraw/zinc/88/06/52/659880652.db2.gz CHZJROVXNIOOMA-LBPRGKRZSA-N 1 0 376.954 2.769 20 0 GFADRO O[C@@H]1c2ccccc2OC[C@H]1[NH2+]Cc1cc2c(c(Br)c1)OCO2 ZINC000808454265 659894685 /nfs/dbraw/zinc/89/46/85/659894685.db2.gz NWFKQWLHEYLPPN-CZUORRHYSA-N 1 0 378.222 2.762 20 0 GFADRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]Cc3c(Cl)n(C)nc3C(F)(F)F)[C@@H]2C1 ZINC000808782793 659905772 /nfs/dbraw/zinc/90/57/72/659905772.db2.gz CXAVOJLCKWNMSU-UHTWSYAYSA-N 1 0 378.826 2.829 20 0 GFADRO CN(CCC[N@H+](C)CCn1cc(Br)cn1)C(=O)OC(C)(C)C ZINC000808803125 659907301 /nfs/dbraw/zinc/90/73/01/659907301.db2.gz ZDUMKTBXMSFQQX-UHFFFAOYSA-N 1 0 375.311 2.834 20 0 GFADRO CN(C)CC[N@H+](C)CCCNC(=S)NCc1cccc(C(F)(F)F)c1 ZINC000809160699 659918724 /nfs/dbraw/zinc/91/87/24/659918724.db2.gz AGRCKEZLGRFTGY-UHFFFAOYSA-N 1 0 376.492 2.553 20 0 GFADRO C[C@H]1C[C@H](N2CCOCC2)C[N@@H+]1Cc1ccccc1I ZINC000809700669 659936490 /nfs/dbraw/zinc/93/64/90/659936490.db2.gz LQGYMCHKUSNLRW-ZFWWWQNUSA-N 1 0 386.277 2.586 20 0 GFADRO CC(C)(C)OC(=O)N1CC[C@@](C)(C[NH2+]CCn2cc(Br)cn2)C1 ZINC000809710019 659936823 /nfs/dbraw/zinc/93/68/23/659936823.db2.gz LQWGNSXFYOPYKR-INIZCTEOSA-N 1 0 387.322 2.882 20 0 GFADRO CC[NH+](CC)CCS(=O)(=O)Oc1c(C)cc(Br)cc1C=O ZINC000810061062 659958468 /nfs/dbraw/zinc/95/84/68/659958468.db2.gz JHQUDYFXLZDLDU-UHFFFAOYSA-N 1 0 378.288 2.620 20 0 GFADRO COc1ccccc1[C@H](O)C[NH2+]Cc1cn2ccc(Br)cc2n1 ZINC000810133284 659964074 /nfs/dbraw/zinc/96/40/74/659964074.db2.gz FFPRKRWATOACBH-OAHLLOKOSA-N 1 0 376.254 2.929 20 0 GFADRO C[C@H]([NH2+]CCNS(=O)(=O)Cc1ccccc1)c1ccc(Br)nc1 ZINC000810212020 659966711 /nfs/dbraw/zinc/96/67/11/659966711.db2.gz ZAGIPOYUEHAWIG-ZDUSSCGKSA-N 1 0 398.326 2.614 20 0 GFADRO C[C@@H]([NH2+]C[C@]1(N2CCOCC2)CCSC1)c1ccc(Br)nc1 ZINC000810212955 659966854 /nfs/dbraw/zinc/96/68/54/659966854.db2.gz HYZGLYDRBFRQDS-CZUORRHYSA-N 1 0 386.359 2.703 20 0 GFADRO C[C@H]1C[C@@H](C(=O)Nc2ncn(Cc3cccc(Br)c3)n2)CC[N@@H+]1C ZINC000810270697 659968023 /nfs/dbraw/zinc/96/80/23/659968023.db2.gz FQHXKJTZBUDBCG-JSGCOSHPSA-N 1 0 392.301 2.758 20 0 GFADRO O=C(Cc1cc2c(cc1Br)OCCO2)O[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000810839964 659988400 /nfs/dbraw/zinc/98/84/00/659988400.db2.gz CXYONYUMNIGZHQ-ZIAGYGMSSA-N 1 0 396.281 2.933 20 0 GFADRO COC(=O)CC[N@H+](Cc1cn2ccc(Br)cc2n1)C1CCOCC1 ZINC000811464319 660009383 /nfs/dbraw/zinc/00/93/83/660009383.db2.gz CURHMKUHKJOZLS-UHFFFAOYSA-N 1 0 396.285 2.641 20 0 GFADRO CC(C)C[C@H](C[NH2+][C@@H]1CCC[C@H](S(C)(=O)=O)C1)NC(=O)OC(C)(C)C ZINC000811480914 660009970 /nfs/dbraw/zinc/00/99/70/660009970.db2.gz JNZSHIGTCGPCQQ-OAGGEKHMSA-N 1 0 376.563 2.871 20 0 GFADRO CCOC(=O)c1ccc(NC(=S)NCC2(SC)CC[NH+](C)CC2)cc1 ZINC000811711266 660014616 /nfs/dbraw/zinc/01/46/16/660014616.db2.gz VTYABSXRVWKYIR-UHFFFAOYSA-N 1 0 381.567 2.977 20 0 GFADRO C[N@@H+]1CC[C@]2(CCN(C(=O)NCCc3ccc(Br)cc3F)C2)C1 ZINC000813634679 660058487 /nfs/dbraw/zinc/05/84/87/660058487.db2.gz RZXGQSXXZPTMQH-KRWDZBQOSA-N 1 0 384.293 2.868 20 0 GFADRO C[C@@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)Cc1ccnc(Br)c1 ZINC000815012819 660101249 /nfs/dbraw/zinc/10/12/49/660101249.db2.gz MYDWUXUIFBNILK-NSHDSACASA-N 1 0 384.299 2.685 20 0 GFADRO CNC(=O)[C@@H](C)C[N@H+](C)C[C@@](C)(O)c1ccc(Br)cc1Cl ZINC000815056840 660108006 /nfs/dbraw/zinc/10/80/06/660108006.db2.gz BQJGYCQZCHOYJO-ZUZCIYMTSA-N 1 0 377.710 2.624 20 0 GFADRO COC(=O)[C@H]1[C@@H]2C[N@@H+](C[C@@](C)(O)c3ccc(Br)cc3Cl)C[C@@H]21 ZINC000815121525 660113863 /nfs/dbraw/zinc/11/38/63/660113863.db2.gz VOVAYEHFCLBSGV-PSHZPRKYSA-N 1 0 388.689 2.661 20 0 GFADRO NS(=O)(=O)c1ccc(CC[N@@H+]2CC[C@H](Oc3ccc(Cl)cc3)C2)cc1 ZINC000815208566 660116733 /nfs/dbraw/zinc/11/67/33/660116733.db2.gz UHXXBAUMEWNZLA-KRWDZBQOSA-N 1 0 380.897 2.683 20 0 GFADRO CC(C)[C@H](C[NH+](C)C)NC(=O)c1ccn(-c2ccc(Br)cc2)n1 ZINC000815594458 660125991 /nfs/dbraw/zinc/12/59/91/660125991.db2.gz PDJPBSCENNYQSV-INIZCTEOSA-N 1 0 379.302 2.951 20 0 GFADRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2cn3c(Br)cnc3s2)C1 ZINC000815836639 660132610 /nfs/dbraw/zinc/13/26/10/660132610.db2.gz LRBSMTIGESJTCQ-QWRGUYRKSA-N 1 0 383.315 2.715 20 0 GFADRO O=C(NCCCc1cccc(Br)c1)N[C@H]1C[NH2+]CCC1(F)F ZINC000841797269 661313866 /nfs/dbraw/zinc/31/38/66/661313866.db2.gz XTYUKWNXGXPXKU-ZDUSSCGKSA-N 1 0 376.245 2.678 20 0 GFADRO O=C(NCCc1ccc(Br)cc1F)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000841795705 661313912 /nfs/dbraw/zinc/31/39/12/661313912.db2.gz VRGAHGWMHFYMFW-KCQAQPDRSA-N 1 0 384.293 2.818 20 0 GFADRO O=C(NC[C@@H]1CCCC[N@H+]1CCO)Nc1cnc(Cl)c(C(F)(F)F)c1 ZINC000841796032 661313947 /nfs/dbraw/zinc/31/39/47/661313947.db2.gz HIVLPDVDEIWGSY-NSHDSACASA-N 1 0 380.798 2.722 20 0 GFADRO O=C(NCc1ccc2c(c1)C[NH2+]C2)NC[C@H](O)c1cccc(Br)c1 ZINC000841980698 661319015 /nfs/dbraw/zinc/31/90/15/661319015.db2.gz ZIPDYQSXIXTFDD-KRWDZBQOSA-N 1 0 390.281 2.585 20 0 GFADRO CN(C[C@@H](O)c1ccccc1Br)C(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000842006510 661319801 /nfs/dbraw/zinc/31/98/01/661319801.db2.gz TXQHHYACMIJJFI-CZUORRHYSA-N 1 0 384.318 2.656 20 0 GFADRO CC(C)[N@H+](C)C[C@H](C)NC(=O)C(=O)Nc1cnc(Cl)c(C(F)(F)F)c1 ZINC000842211163 661328249 /nfs/dbraw/zinc/32/82/49/661328249.db2.gz LXXODUBDHOBCKN-VIFPVBQESA-N 1 0 380.798 2.537 20 0 GFADRO C[NH+](C)C1(CN2C(=O)[C@H]3Cc4c(Br)cccc4CN3C2=O)CCC1 ZINC000842242236 661329574 /nfs/dbraw/zinc/32/95/74/661329574.db2.gz FSQKFGQFTIJPJU-OAHLLOKOSA-N 1 0 392.297 2.622 20 0 GFADRO C[C@@H]1C[C@H](N2C(=O)[C@H]3Cc4c(Br)cccc4CN3C2=O)CC[N@@H+]1C ZINC000842242079 661329615 /nfs/dbraw/zinc/32/96/15/661329615.db2.gz DJBBAYLKIOLZDI-AXAPSJFSSA-N 1 0 392.297 2.621 20 0 GFADRO O=S(=O)(c1c(F)c(F)c(F)c(F)c1F)N1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000842480989 661341121 /nfs/dbraw/zinc/34/11/21/661341121.db2.gz CNFJUBZMUAUGOG-RKDXNWHRSA-N 1 0 384.370 2.677 20 0 GFADRO O=C1CCc2cc(Cl)c(S(=O)(=O)N3CCCC[C@@H]3[C@H]3CCC[NH2+]3)cc21 ZINC000842481373 661341319 /nfs/dbraw/zinc/34/13/19/661341319.db2.gz IOCKFFFEXVEEFE-HZPDHXFCSA-N 1 0 382.913 2.764 20 0 GFADRO [NH3+][C@@H]1CCCO[C@H]1C1CCN(S(=O)(=O)/C=C/c2ccc(Cl)cc2)CC1 ZINC000842485503 661341751 /nfs/dbraw/zinc/34/17/51/661341751.db2.gz IRGBVVOIYZLZNA-IDPXHPCFSA-N 1 0 384.929 2.859 20 0 GFADRO O=C(Nc1nc(Cc2nc([C@H]3CCC[NH2+]C3)no2)cs1)c1cccs1 ZINC000842663598 661347935 /nfs/dbraw/zinc/34/79/35/661347935.db2.gz DHNQWNSDBOXWSE-JTQLQIEISA-N 1 0 375.479 2.898 20 0 GFADRO CS(=O)(=O)CC1(C[NH2+]Cc2cc(Br)cnc2Cl)CCC1 ZINC000842711376 661350584 /nfs/dbraw/zinc/35/05/84/661350584.db2.gz DBMXVGKKKNZEFK-UHFFFAOYSA-N 1 0 381.723 2.802 20 0 GFADRO C[C@@H]([NH2+]Cc1cc(Br)nn1C)c1ccc(N2CCNC2=O)cc1 ZINC000842744596 661352010 /nfs/dbraw/zinc/35/20/10/661352010.db2.gz UNTKMJFUJWTBSE-LLVKDONJSA-N 1 0 378.274 2.563 20 0 GFADRO CN(C1C[C@H]2CC[C@@H](C1)[NH2+]2)S(=O)(=O)/C=C/c1ccccc1Br ZINC000842747276 661352437 /nfs/dbraw/zinc/35/24/37/661352437.db2.gz QCRFTHIMBBORFA-RHIWBSMKSA-N 1 0 385.327 2.964 20 0 GFADRO O=S(=O)(/C=C/c1ccccc1Br)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000842850342 661357038 /nfs/dbraw/zinc/35/70/38/661357038.db2.gz QOKJFGPOBNVNLE-HKUPYCBJSA-N 1 0 385.327 2.825 20 0 GFADRO O=S(=O)(/C=C/c1ccc(Br)cc1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000842861119 661357695 /nfs/dbraw/zinc/35/76/95/661357695.db2.gz RORCFISWWYTTRS-RFKZRZAASA-N 1 0 385.327 2.825 20 0 GFADRO COC(=O)c1cc(S(=O)(=O)NC(C)(C)CCC[NH3+])c(Cl)cc1Cl ZINC000842871474 661358147 /nfs/dbraw/zinc/35/81/47/661358147.db2.gz CCYAPTVZKVDZPB-UHFFFAOYSA-N 1 0 383.297 2.576 20 0 GFADRO O[C@@H](C[NH2+]C[C@@H](O)c1ccccc1F)COc1cccc(Br)c1 ZINC000843064267 661365747 /nfs/dbraw/zinc/36/57/47/661365747.db2.gz GGCTZLFWWKNPOL-SUMWQHHRSA-N 1 0 384.245 2.651 20 0 GFADRO O[C@@H](C[NH2+]C[C@@H](O)c1cccc(Br)c1)COc1cccc(F)c1 ZINC000843064240 661365812 /nfs/dbraw/zinc/36/58/12/661365812.db2.gz GBVHGUUJZVWZAR-DOTOQJQBSA-N 1 0 384.245 2.651 20 0 GFADRO O[C@H](C[NH2+]C[C@H](O)c1ccccc1F)COc1ccc(Br)cc1 ZINC000843067544 661365974 /nfs/dbraw/zinc/36/59/74/661365974.db2.gz ZGYBKSQPDPYIHQ-DYVFJYSZSA-N 1 0 384.245 2.651 20 0 GFADRO Cc1cccc(OC[C@H](O)C[NH2+]C[C@@H](O)c2ccc(F)c(Br)c2)c1 ZINC000843070426 661366131 /nfs/dbraw/zinc/36/61/31/661366131.db2.gz UHDQRWZEYOJHQO-RDTXWAMCSA-N 1 0 398.272 2.960 20 0 GFADRO CC(C)(C)OC(=O)NCC[C@H](O)C[NH2+]C[C@@H](O)c1ccc(Cl)cc1Cl ZINC000843075607 661366492 /nfs/dbraw/zinc/36/64/92/661366492.db2.gz NEJNVPZMNSXHNR-SWLSCSKDSA-N 1 0 393.311 2.892 20 0 GFADRO CC(C)(C)OC(=O)NC[C@@H](O)C[NH2+]C[C@H](O)c1ccc(Cl)cc1Cl ZINC000843074544 661366631 /nfs/dbraw/zinc/36/66/31/661366631.db2.gz HIEQKVBUGJUWQY-FZMZJTMJSA-N 1 0 379.284 2.502 20 0 GFADRO CN(C[C@H](O)C[NH2+]C[C@H](O)c1ccc(Cl)cc1Cl)C(=O)OC(C)(C)C ZINC000843075788 661366838 /nfs/dbraw/zinc/36/68/38/661366838.db2.gz PFHNLJZVUGOLRJ-DOMZBBRYSA-N 1 0 393.311 2.844 20 0 GFADRO Cc1cccc([C@@H](O)C[NH2+]C[C@H](O)COc2ccc(Br)cc2)c1 ZINC000843087110 661367194 /nfs/dbraw/zinc/36/71/94/661367194.db2.gz IZAILKUMCXWAKO-WMZOPIPTSA-N 1 0 380.282 2.820 20 0 GFADRO COc1ccc([C@@H](CO)C[NH2+]C[C@H](O)c2ccc(F)c(Br)c2)cc1 ZINC000843092773 661367458 /nfs/dbraw/zinc/36/74/58/661367458.db2.gz DUJJNRSIBSTEIV-KDOFPFPSSA-N 1 0 398.272 2.996 20 0 GFADRO CC(C)(C)[C@@H](O)C[C@H](CO)[NH2+]C[C@](C)(O)c1ccc(Br)cc1F ZINC000843103492 661368082 /nfs/dbraw/zinc/36/80/82/661368082.db2.gz AJRODWMGCCTHSK-PVUWLOKVSA-N 1 0 392.309 2.543 20 0 GFADRO Cc1ccc([C@@H](O)C[NH2+]C[C@@H](O)COc2cccc(Br)c2)cc1 ZINC000843107721 661368326 /nfs/dbraw/zinc/36/83/26/661368326.db2.gz ILUMHIXNKZXBPO-AEFFLSMTSA-N 1 0 380.282 2.820 20 0 GFADRO C[C@](O)(C[NH2+][C@H](CCO)C1CCOCC1)c1ccc(Br)cc1F ZINC000843108993 661368345 /nfs/dbraw/zinc/36/83/45/661368345.db2.gz QKKNOZCHQDBRSE-SJORKVTESA-N 1 0 390.293 2.563 20 0 GFADRO O[C@@H](C[NH2+]C[C@H](O)COc1ccc(F)cc1)c1cccc(Br)c1 ZINC000843110840 661368511 /nfs/dbraw/zinc/36/85/11/661368511.db2.gz BVYRZDKYLRDGDH-RDJZCZTQSA-N 1 0 384.245 2.651 20 0 GFADRO C[C@](O)(C[NH2+][C@H](CO)Cc1ccncc1)c1ccc(Br)cc1Cl ZINC000843110507 661368524 /nfs/dbraw/zinc/36/85/24/661368524.db2.gz NAGYQXUZXWZHHU-YOEHRIQHSA-N 1 0 399.716 2.898 20 0 GFADRO O[C@H](C[NH2+]C[C@@H]1CCC2(CCOCC2)[C@@H]1O)c1cccc(Br)c1 ZINC000843112318 661368950 /nfs/dbraw/zinc/36/89/50/661368950.db2.gz GTRSTUJROMZZSD-USXIJHARSA-N 1 0 384.314 2.640 20 0 GFADRO Cn1ccnc1[C@@H]([NH2+]C[C@@H](O)c1cccc(Br)c1)C(C)(C)CO ZINC000843114662 661369121 /nfs/dbraw/zinc/36/91/21/661369121.db2.gz BTMMTKOVUXMHBM-HUUCEWRRSA-N 1 0 382.302 2.565 20 0 GFADRO Cc1ccccc1OC[C@@H](O)C[NH2+]C[C@@H](O)c1cccc(Br)c1 ZINC000843113573 661369256 /nfs/dbraw/zinc/36/92/56/661369256.db2.gz XRGWDXJOORCQOU-DLBZAZTESA-N 1 0 380.282 2.820 20 0 GFADRO O[C@H](C[NH2+][C@@H]1COc2ccccc2[C@H]1O)COc1c(Cl)cccc1Cl ZINC000843117826 661369912 /nfs/dbraw/zinc/36/99/12/661369912.db2.gz UKXBJJYUJXOKNT-RGYTYGDFSA-N 1 0 384.259 2.817 20 0 GFADRO CC(C)([NH3+])Cc1nc(Cc2cc(Br)c3c(c2)OCCCO3)no1 ZINC000843202294 661372071 /nfs/dbraw/zinc/37/20/71/661372071.db2.gz CUOJNFCNSFQSHV-UHFFFAOYSA-N 1 0 382.258 2.864 20 0 GFADRO [NH3+][C@H](Cc1nc(CS(=O)(=O)c2cc(Cl)ccc2Cl)no1)C1CC1 ZINC000843201348 661372086 /nfs/dbraw/zinc/37/20/86/661372086.db2.gz ZOSZVEGVAAPSAI-LLVKDONJSA-N 1 0 376.265 2.630 20 0 GFADRO [NH3+]CC1(c2nc(CC(=O)Nc3ccccc3Br)no2)CCCC1 ZINC000843219080 661373599 /nfs/dbraw/zinc/37/35/99/661373599.db2.gz STZHSFNXCFGIEE-UHFFFAOYSA-N 1 0 379.258 2.784 20 0 GFADRO C[NH+]1CCC2(CC1)CN(C(=S)NCc1ccc(Br)cc1)CCO2 ZINC000843283892 661375561 /nfs/dbraw/zinc/37/55/61/661375561.db2.gz MIZSTDFHVIDTLS-UHFFFAOYSA-N 1 0 398.370 2.620 20 0 GFADRO CC(C)C[C@@](C)(C[NH3+])NC(=O)/C=C\c1ccc(I)o1 ZINC000843346612 661378491 /nfs/dbraw/zinc/37/84/91/661378491.db2.gz MIZXCGMBNCVYAK-VSKVDJIOSA-N 1 0 376.238 2.777 20 0 GFADRO CN(Cc1ccccc1Br)C(=O)CNc1ccc(OCC[NH3+])cc1 ZINC000843367524 661378848 /nfs/dbraw/zinc/37/88/48/661378848.db2.gz SMOXMOFQXCSCAP-UHFFFAOYSA-N 1 0 392.297 2.857 20 0 GFADRO COc1ccc(CN2CCN([C@H]3CC[NH2+]C3)CC2)cc1SC(F)(F)F ZINC000843385032 661379161 /nfs/dbraw/zinc/37/91/61/661379161.db2.gz QFIKXNDDUBZLDJ-AWEZNQCLSA-N 1 0 375.460 2.787 20 0 GFADRO O=C(CO[C@@H]1CCC[NH2+]C1)N1CCO[C@@H](c2cc(F)c(Cl)cc2Cl)C1 ZINC000843431627 661381176 /nfs/dbraw/zinc/38/11/76/661381176.db2.gz JCSLTPNXYLAVKP-BDJLRTHQSA-N 1 0 391.270 2.801 20 0 GFADRO [NH3+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)c1cc(=O)c2cc(Br)ccc2[nH]1 ZINC000843451361 661381958 /nfs/dbraw/zinc/38/19/58/661381958.db2.gz VJXHOVBNGYPEDP-YHWZYXNKSA-N 1 0 390.281 2.775 20 0 GFADRO COc1cc(C(=O)Nc2cnn(C3CC[NH2+]CC3)c2)sc1Br ZINC000843456959 661382083 /nfs/dbraw/zinc/38/20/83/661382083.db2.gz MXZARZKAPNJEFW-UHFFFAOYSA-N 1 0 385.287 2.893 20 0 GFADRO O=C(CCOc1ccccc1Br)Nc1cnn(C2CC[NH2+]CC2)c1 ZINC000843458037 661382186 /nfs/dbraw/zinc/38/21/86/661382186.db2.gz MEYLRAMPFGLWHV-UHFFFAOYSA-N 1 0 393.285 2.978 20 0 GFADRO O=C(CO[C@H]1CCC[NH2+]C1)N[C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1 ZINC000843496026 661383452 /nfs/dbraw/zinc/38/34/52/661383452.db2.gz SPDGRFSVAPIXCH-CABCVRRESA-N 1 0 386.323 2.847 20 0 GFADRO Cn1nc2cc(Br)ccc2c1C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000843560573 661385266 /nfs/dbraw/zinc/38/52/66/661385266.db2.gz MXDTZRRKJQVJPP-QWHCGFSZSA-N 1 0 379.302 2.938 20 0 GFADRO C[NH+]1CCN(c2ccc(NC(=O)c3nscc3Br)cc2)CC1 ZINC000844296230 661412859 /nfs/dbraw/zinc/41/28/59/661412859.db2.gz FEZSNRPWZIUTFO-UHFFFAOYSA-N 1 0 381.299 2.910 20 0 GFADRO CC(C)(C)OC(=O)NCCCCCC[N@@H+]1CCC[C@@H](S(C)(=O)=O)CC1 ZINC000844322231 661414676 /nfs/dbraw/zinc/41/46/76/661414676.db2.gz BEJXZXNZSCABOY-MRXNPFEDSA-N 1 0 376.563 2.971 20 0 GFADRO COC[C@]1(C)CC[N@H+](CN2CC(c3ccc(Br)cc3)=CC2=O)C1 ZINC000844710391 661436349 /nfs/dbraw/zinc/43/63/49/661436349.db2.gz ZCOZONRSHYGKPZ-GOSISDBHSA-N 1 0 379.298 2.991 20 0 GFADRO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)NCCC[C@H]2CC2(Cl)Cl)CC1 ZINC000845668690 661486833 /nfs/dbraw/zinc/48/68/33/661486833.db2.gz YNDCFMFFWJJVKM-HOTGVXAUSA-N 1 0 391.387 2.772 20 0 GFADRO O=C(NCCC[C@H]1CC1(Cl)Cl)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000845673061 661488302 /nfs/dbraw/zinc/48/83/02/661488302.db2.gz AFTZODHAEMPWSP-CABCVRRESA-N 1 0 378.344 2.714 20 0 GFADRO C[C@@H]1[C@H](COC(=O)c2cn(-c3ccccc3Br)nn2)CC[N@@H+]1C ZINC000845813779 661498346 /nfs/dbraw/zinc/49/83/46/661498346.db2.gz FTDQZZWZUCAQKX-NEPJUHHUSA-N 1 0 379.258 2.527 20 0 GFADRO FC(F)[C@@H]1C[NH2+]CCN1Cc1cc(Cl)ccc1I ZINC000846221146 661538895 /nfs/dbraw/zinc/53/88/95/661538895.db2.gz TVXKLZZIDMUMTG-NSHDSACASA-N 1 0 386.611 2.984 20 0 GFADRO Cn1nc(C(=O)NC[C@H](C[NH+](C)C)c2ccc(Cl)cc2)cc1Br ZINC000846130931 661534102 /nfs/dbraw/zinc/53/41/02/661534102.db2.gz HCIRTOKIUXNYGH-GFCCVEGCSA-N 1 0 399.720 2.911 20 0 GFADRO COCC[NH+](CCOC)C1CCN(C(=O)c2snc(Cl)c2Cl)CC1 ZINC000846138995 661534123 /nfs/dbraw/zinc/53/41/23/661534123.db2.gz ZISIOWVMQYZLTF-UHFFFAOYSA-N 1 0 396.340 2.649 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCOc4ccc(Br)cc43)C[C@@H]2C1 ZINC000846187247 661537215 /nfs/dbraw/zinc/53/72/15/661537215.db2.gz IYNZDAADBYSMMX-VNHYZAJKSA-N 1 0 379.298 2.725 20 0 GFADRO COCC[NH2+]C1CCN(S(=O)(=O)c2ccc(SC(F)(F)F)cc2)CC1 ZINC000846231005 661539273 /nfs/dbraw/zinc/53/92/73/661539273.db2.gz XSMUDKOWELFJOR-UHFFFAOYSA-N 1 0 398.472 2.688 20 0 GFADRO C[C@@H]1CCCN(C(=O)/C=C/c2ccc(I)o2)[C@@H]1CC[NH3+] ZINC000846695171 661561891 /nfs/dbraw/zinc/56/18/91/661561891.db2.gz SVDCWPDXAONEMG-BVKQBWKVSA-N 1 0 388.249 2.873 20 0 GFADRO C[N@H+](Cc1ccc(Br)o1)C[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1 ZINC000846764462 661564637 /nfs/dbraw/zinc/56/46/37/661564637.db2.gz GXWGZKIKFOZUGK-INIZCTEOSA-N 1 0 389.290 2.846 20 0 GFADRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)Nc2cc3c(cc2Br)OCCO3)C1 ZINC000847107550 661576401 /nfs/dbraw/zinc/57/64/01/661576401.db2.gz BQAINOUZXWKRLM-PHIMTYICSA-N 1 0 384.274 2.682 20 0 GFADRO Nc1c(Cl)cc(NC(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1Cl ZINC000847608106 661601730 /nfs/dbraw/zinc/60/17/30/661601730.db2.gz QIJCAAXARDVNQG-ZIAGYGMSSA-N 1 0 385.295 2.647 20 0 GFADRO CO[C@H](C(=O)OC[C@@H]1C[N@@H+](C(C)C)CCO1)c1ccccc1Br ZINC000847680932 661605363 /nfs/dbraw/zinc/60/53/63/661605363.db2.gz SDVREBPPNCECKW-BBRMVZONSA-N 1 0 386.286 2.789 20 0 GFADRO CS[C@@H]1CN(C(=O)c2nc(F)ccc2Br)C[C@H]1[NH+]1CCCC1 ZINC000847724996 661607769 /nfs/dbraw/zinc/60/77/69/661607769.db2.gz INSZQFJUORPPMI-VXGBXAGGSA-N 1 0 388.306 2.635 20 0 GFADRO C[N@@H+]1CC[C@@H](CCOC(=O)COc2ccc(I)cc2)C1 ZINC000847829766 661612586 /nfs/dbraw/zinc/61/25/86/661612586.db2.gz ZONDOGGVLXAHAD-LBPRGKRZSA-N 1 0 389.233 2.555 20 0 GFADRO C[N@H+](Cc1ccccc1)C1CN(C(=O)c2nc(F)ccc2Br)C1 ZINC000848057333 661623182 /nfs/dbraw/zinc/62/31/82/661623182.db2.gz RZMGTCYIOREIKO-UHFFFAOYSA-N 1 0 378.245 2.940 20 0 GFADRO CCC(C)(C)[NH+]1CCN(CN2C(=O)c3ccc(Br)cc3C2=O)CC1 ZINC000848498997 661656210 /nfs/dbraw/zinc/65/62/10/661656210.db2.gz VKFVJKQSZJOEGB-UHFFFAOYSA-N 1 0 394.313 2.809 20 0 GFADRO [NH2+]=C(NCCNC(=O)c1cccc(Br)c1)NCCc1cccs1 ZINC000849074584 661691130 /nfs/dbraw/zinc/69/11/30/661691130.db2.gz ZXINOJRQBPHPKE-UHFFFAOYSA-N 1 0 395.326 2.597 20 0 GFADRO COc1ccc(C[C@H](CO)CNC(=[NH2+])N2CCCCC2)cc1Br ZINC000849115038 661692908 /nfs/dbraw/zinc/69/29/08/661692908.db2.gz CGXJKMRUCOKCGU-AWEZNQCLSA-N 1 0 384.318 2.619 20 0 GFADRO CS(=O)(=O)C1(C[NH2+]C[C@H](O)c2cccc(Br)c2)CCCCC1 ZINC000849330329 661706232 /nfs/dbraw/zinc/70/62/32/661706232.db2.gz OPMWEXQYUNNLBU-HNNXBMFYSA-N 1 0 390.343 2.820 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@@H](NS(=O)(=O)c2cnc(Cl)c(Br)c2)C1 ZINC000849418140 661720033 /nfs/dbraw/zinc/72/00/33/661720033.db2.gz BLJUJGSVXJPMBF-SECBINFHSA-N 1 0 396.738 2.649 20 0 GFADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@H]2C(=O)NCc2csc(Br)c2)cn1 ZINC000849501906 661733692 /nfs/dbraw/zinc/73/36/92/661733692.db2.gz YAWXBDCFEAWFGY-KGLIPLIRSA-N 1 0 397.342 2.596 20 0 GFADRO Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)Nc2cc(F)ccc2Br)cn1 ZINC000849560506 661734039 /nfs/dbraw/zinc/73/40/39/661734039.db2.gz BAVKUBNECKUKGN-UONOGXRCSA-N 1 0 395.276 2.996 20 0 GFADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)NCc2ccc(Br)cc2)cn1 ZINC000849504872 661734377 /nfs/dbraw/zinc/73/43/77/661734377.db2.gz FOHRXKXLTFCQRT-IRXDYDNUSA-N 1 0 391.313 2.534 20 0 GFADRO Cc1ncc(Br)cc1NC(=O)[C@H]1CC[N@@H+](C)C[C@H]1c1cnn(C)c1 ZINC000849596586 661734565 /nfs/dbraw/zinc/73/45/65/661734565.db2.gz ARQYVMILHNHHCW-GJZGRUSLSA-N 1 0 392.301 2.560 20 0 GFADRO CC(C)[N@@H+]1CC[C@H](C(=O)NC[C@@]2(C)CC2(Cl)Cl)[C@@H](c2cnn(C)c2)C1 ZINC000849598882 661734745 /nfs/dbraw/zinc/73/47/45/661734745.db2.gz HZGXXPCDKXAYFP-ZMSDIMECSA-N 1 0 387.355 2.934 20 0 GFADRO Cn1cc([C@H](O)C[NH2+]Cc2cc(Cl)ccc2I)cn1 ZINC000850159346 661766423 /nfs/dbraw/zinc/76/64/23/661766423.db2.gz DSFNOOAXCYFDGS-CYBMUJFWSA-N 1 0 391.640 2.501 20 0 GFADRO O=[S@@](CC[NH2+]C1CCN(CCc2ccc(F)cc2)CC1)CC(F)(F)F ZINC000850349165 661771119 /nfs/dbraw/zinc/77/11/19/661771119.db2.gz DAFJDHPTQGRWBJ-VWLOTQADSA-N 1 0 380.451 2.733 20 0 GFADRO O=[S@](CC[NH2+]Cc1cc(Br)cnc1Cl)CC(F)(F)F ZINC000850349878 661771372 /nfs/dbraw/zinc/77/13/72/661771372.db2.gz LQMOSZOEICJQPC-LJQANCHMSA-N 1 0 379.629 2.898 20 0 GFADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]C[C@@H]1C(C)(C)C1(F)F ZINC000850394616 661774433 /nfs/dbraw/zinc/77/44/33/661774433.db2.gz WLUHJJZCEDJHOK-ZYHUDNBSSA-N 1 0 381.876 2.585 20 0 GFADRO C[C@H]([NH2+]C1CCN(S(=O)(=O)C(F)(F)F)CC1)c1ccc(C(F)F)nc1 ZINC000850440661 661776235 /nfs/dbraw/zinc/77/62/35/661776235.db2.gz BGZJVXCCMDCSAB-VIFPVBQESA-N 1 0 387.374 2.984 20 0 GFADRO O=C(NCC[NH2+][C@H]1CCc2nc(Cl)ccc21)c1ccc(Br)cn1 ZINC000850495129 661779202 /nfs/dbraw/zinc/77/92/02/661779202.db2.gz WSZKKHDCZXJGLQ-LBPRGKRZSA-N 1 0 395.688 2.899 20 0 GFADRO CCOC(=O)C(F)(F)[C@@H]1CC[C@H]([NH2+]CC2(S(C)(=O)=O)CCCCC2)C1 ZINC000850531310 661781064 /nfs/dbraw/zinc/78/10/64/661781064.db2.gz IXZCKKXYPXHPRM-KGLIPLIRSA-N 1 0 381.485 2.691 20 0 GFADRO [NH3+]C1C[C@H]2CCC[C@@H](C1)N2S(=O)(=O)Cc1cc(F)ccc1Br ZINC000850583714 661782087 /nfs/dbraw/zinc/78/20/87/661782087.db2.gz GJNPXBBELRDOAJ-AGUYFDCRSA-N 1 0 391.306 2.762 20 0 GFADRO Cn1c(Cl)cnc1-c1csc(NC(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)n1 ZINC000850754072 661790529 /nfs/dbraw/zinc/79/05/29/661790529.db2.gz ICPBUZRVEFHFRK-PHIMTYICSA-N 1 0 380.905 2.660 20 0 GFADRO COc1ccccc1[C@H]([NH3+])CNC(=O)c1cnn(C(C)(C)C)c1Br ZINC000851633453 661826991 /nfs/dbraw/zinc/82/69/91/661826991.db2.gz KCEQJRTXMDUAHU-CYBMUJFWSA-N 1 0 395.301 2.839 20 0 GFADRO C[C@@]1(C(=O)NCc2ccc3c(c2)C[NH2+]C3)CC1(Br)Br ZINC000851635192 661827296 /nfs/dbraw/zinc/82/72/96/661827296.db2.gz MMKCILOKBSKCRE-ZDUSSCGKSA-N 1 0 388.103 2.802 20 0 GFADRO C[C@]1(C(=O)NCc2ccc(C[NH3+])cc2F)CC1(Br)Br ZINC000851640941 661827449 /nfs/dbraw/zinc/82/74/49/661827449.db2.gz GZXQVUWADZYACN-GFCCVEGCSA-N 1 0 394.082 2.797 20 0 GFADRO CCOP(=O)(OCC)[C@H](O)C[N@@H+]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000851747885 661830336 /nfs/dbraw/zinc/83/03/36/661830336.db2.gz LKFUUEHVUMBFHY-AWEZNQCLSA-N 1 0 380.422 2.514 20 0 GFADRO CCOP(=O)(OCC)[C@@H](O)C[N@H+](C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000851794102 661832315 /nfs/dbraw/zinc/83/23/15/661832315.db2.gz DHPUTRMMKAFQCU-UONOGXRCSA-N 1 0 380.422 2.512 20 0 GFADRO NC(=O)[C@](O)(C[NH2+]C1(c2ccc(Br)cc2)CCC1)c1ccccc1 ZINC000851824852 661835204 /nfs/dbraw/zinc/83/52/04/661835204.db2.gz NVQZEANXNMUVBU-IBGZPJMESA-N 1 0 389.293 2.791 20 0 GFADRO Clc1ccc(C2([NH2+]CCn3cnc(Br)n3)CCOCC2)cc1 ZINC000851840496 661837727 /nfs/dbraw/zinc/83/77/27/661837727.db2.gz TWQAJFXEQFTMED-UHFFFAOYSA-N 1 0 385.693 2.990 20 0 GFADRO C[C@@H]1CN=C(N2CC[NH+](CC[C@@H]3Sc4ccccc4NC3=O)CC2)S1 ZINC000851852530 661838863 /nfs/dbraw/zinc/83/88/63/661838863.db2.gz NXDNNXFOZIOSCU-CJNGLKHVSA-N 1 0 376.551 2.598 20 0 GFADRO CCOP(=O)(OCC)[C@@H](O)C[NH+]1CCC(Oc2cncc(Cl)n2)CC1 ZINC000851953538 661846844 /nfs/dbraw/zinc/84/68/44/661846844.db2.gz BGSBWHKTJXRBKB-OAHLLOKOSA-N 1 0 393.808 2.558 20 0 GFADRO C[N@@H+](Cc1cccc(Br)c1OCC(C)(C)O)C[C@@H]1CCC(=O)O1 ZINC000851973442 661847610 /nfs/dbraw/zinc/84/76/10/661847610.db2.gz BSESLHSGWFJJHM-ZDUSSCGKSA-N 1 0 386.286 2.736 20 0 GFADRO Cc1ccc2c(c1Br)CN(C(=O)NC[C@@H]1C[N@@H+]3CCC[C@H]3CO1)C2 ZINC000852064812 661851260 /nfs/dbraw/zinc/85/12/60/661851260.db2.gz FJPWFCYLXPBQMZ-LSDHHAIUSA-N 1 0 394.313 2.646 20 0 GFADRO CCOP(=O)(OCC)[C@H](O)C[N@H+]1C[C@H](C(=O)OC(C)(C)C)C[C@H](C)C1 ZINC000852183863 661856102 /nfs/dbraw/zinc/85/61/02/661856102.db2.gz AACWUAJSRXFPKN-ZNMIVQPWSA-N 1 0 379.434 2.871 20 0 GFADRO C[C@@]1(CCNC(=O)NCC2CC[NH+](C3CCOCC3)CC2)C[C@@]1(F)Cl ZINC000852395582 661863218 /nfs/dbraw/zinc/86/32/18/661863218.db2.gz JKJXNPTVKLPWAX-MSOLQXFVSA-N 1 0 375.916 2.881 20 0 GFADRO COCCSCCC[NH2+][C@H]1Cc2ccccc2N(C(=O)C(F)(F)F)C1 ZINC000852451364 661864119 /nfs/dbraw/zinc/86/41/19/661864119.db2.gz IYGHDLJRNQFBCG-AWEZNQCLSA-N 1 0 376.444 2.866 20 0 GFADRO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)NC[C@H](O)c1cccc(Br)c1 ZINC000852602754 661867652 /nfs/dbraw/zinc/86/76/52/661867652.db2.gz PNIPEUSWJIONPD-PBHICJAKSA-N 1 0 398.345 2.902 20 0 GFADRO O=C(c1ccc(C(F)(F)Br)nc1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000852818484 661875249 /nfs/dbraw/zinc/87/52/49/661875249.db2.gz JKHSFIYNQWIJOZ-LBPRGKRZSA-N 1 0 388.256 2.988 20 0 GFADRO C[C@]([NH3+])(C(=O)N[C@H]1C[C@H](O)c2ccccc21)c1ccc(Br)cc1 ZINC000852855584 661875927 /nfs/dbraw/zinc/87/59/27/661875927.db2.gz GBJLBGAIZSNQIU-XYJFISCASA-N 1 0 375.266 2.918 20 0 GFADRO O[C@@H](C[NH2+]C[C@@H]1CCN(c2cccc(Br)c2)C1)c1ccccn1 ZINC000853100185 661882481 /nfs/dbraw/zinc/88/24/81/661882481.db2.gz ZIWUSQZTQOEUNY-KSSFIOAISA-N 1 0 376.298 2.994 20 0 GFADRO OC[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1Nc1ncnc(F)c1Br ZINC000853366422 661888107 /nfs/dbraw/zinc/88/81/07/661888107.db2.gz AFOIGKWELHDTNM-KGLIPLIRSA-N 1 0 395.276 2.673 20 0 GFADRO C[NH+](C)CCN(Cc1ccccc1)c1ccc2c(c1)S(=O)(=O)N=C2Cl ZINC000853446841 661888925 /nfs/dbraw/zinc/88/89/25/661888925.db2.gz PHADUKXWYOBXNF-UHFFFAOYSA-N 1 0 377.897 2.943 20 0 GFADRO O=C(N1CCC[C@@H]([C@H]2CCCC[N@@H+]2Cn2cc[nH]c2=S)C1)C(F)(F)F ZINC000853547601 661891930 /nfs/dbraw/zinc/89/19/30/661891930.db2.gz VMUNFRQMQBXGEE-CHWSQXEVSA-N 1 0 376.448 2.785 20 0 GFADRO CCN(C(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1)[C@@H]1CC[N@H+](CC)C1 ZINC000854215945 661919128 /nfs/dbraw/zinc/91/91/28/661919128.db2.gz PXOPJYCEFVTYTG-CYBMUJFWSA-N 1 0 375.441 2.631 20 0 GFADRO O=C(NCCn1cc(Br)cn1)[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000854440725 661933373 /nfs/dbraw/zinc/93/33/73/661933373.db2.gz UVSPUHLWRLZGHQ-QGZVFWFLSA-N 1 0 391.313 2.641 20 0 GFADRO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@H]1N2C(=O)c1cc(Br)[nH]n1 ZINC000854514408 661937603 /nfs/dbraw/zinc/93/76/03/661937603.db2.gz APUWJDCOIHWYBR-IUODEOHRSA-N 1 0 375.270 2.929 20 0 GFADRO C[C@@H]1COCC[N@@H+]1C1CCN(C(=O)[C@@H](O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000854569244 661940090 /nfs/dbraw/zinc/94/00/90/661940090.db2.gz IYCXLFPEUAFARI-PXAZEXFGSA-N 1 0 387.307 2.739 20 0 GFADRO C[C@H]1COCC[N@@H+]1C1CCN(C(=O)[C@@H](O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000854569245 661940211 /nfs/dbraw/zinc/94/02/11/661940211.db2.gz IYCXLFPEUAFARI-SJCJKPOMSA-N 1 0 387.307 2.739 20 0 GFADRO CC(C)C[C@H](NC(=O)CC[C@H]1CC1(Cl)Cl)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000854632222 661944646 /nfs/dbraw/zinc/94/46/46/661944646.db2.gz GVWHQURSABMMDV-ZNMIVQPWSA-N 1 0 392.371 2.654 20 0 GFADRO CSc1ccc([C@@H](CNC(=O)c2cc(Br)n[nH]2)[NH+](C)C)cc1 ZINC000854671900 661947250 /nfs/dbraw/zinc/94/72/50/661947250.db2.gz VVQZFFPWRCKSLA-CYBMUJFWSA-N 1 0 383.315 2.927 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)/C=C\c1ccc(I)o1 ZINC000855163900 661974356 /nfs/dbraw/zinc/97/43/56/661974356.db2.gz DGPJFHVOIGHUTC-JPVGGKMYSA-N 1 0 388.249 2.886 20 0 GFADRO CCN(C(=O)/C=C\c1cc(Br)c(O)c(OC)c1)[C@@H]1CC[N@H+](C)C1 ZINC000855362543 661987917 /nfs/dbraw/zinc/98/79/17/661987917.db2.gz OCJUJMQVMKTALD-CFHLNLSMSA-N 1 0 383.286 2.729 20 0 GFADRO O=C(NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1snc(Cl)c1Cl ZINC000855403385 661990405 /nfs/dbraw/zinc/99/04/05/661990405.db2.gz MNBMCIUVFLTXDD-GFCCVEGCSA-N 1 0 386.304 2.947 20 0 GFADRO C[C@H](CCNC(=O)c1nc(Br)ccc1Br)[NH+](C)C ZINC000855415797 661991511 /nfs/dbraw/zinc/99/15/11/661991511.db2.gz PELSPSPWOQVLKW-MRVPVSSYSA-N 1 0 379.096 2.677 20 0 GFADRO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)NCC[C@H](C)[NH+](C)C ZINC000855415878 661991746 /nfs/dbraw/zinc/99/17/46/661991746.db2.gz QZXDDBOGOIPTOV-JTQLQIEISA-N 1 0 381.270 2.934 20 0 GFADRO CCC[N@@H+]1CC[C@H](NC(=O)c2ccnc(Cl)c2I)C1 ZINC000856072887 662018358 /nfs/dbraw/zinc/01/83/58/662018358.db2.gz FHPXYYQXZGMDHD-VIFPVBQESA-N 1 0 393.656 2.554 20 0 GFADRO CC(C)[C@H]1CN(C(=O)c2cc(=O)c3cc(Br)ccc3o2)CC[NH2+]1 ZINC000856491112 662036133 /nfs/dbraw/zinc/03/61/33/662036133.db2.gz XZUMYPATPCGXGD-CYBMUJFWSA-N 1 0 379.254 2.626 20 0 GFADRO Cn1cc(C[NH2+]C[C@H](CO)Cc2ccc(OC(F)(F)F)cc2)c(Cl)n1 ZINC000856773553 662043767 /nfs/dbraw/zinc/04/37/67/662043767.db2.gz JRLWJUPJVUYQIE-GFCCVEGCSA-N 1 0 377.794 2.913 20 0 GFADRO Cn1nccc1[C@H](O)C1CC[NH+](C[C@H](O)c2ccc(Br)cc2)CC1 ZINC000856801095 662044648 /nfs/dbraw/zinc/04/46/48/662044648.db2.gz JZVXDRHAQXCLLG-ZWKOTPCHSA-N 1 0 394.313 2.662 20 0 GFADRO O=C(NCC[C@H]1CC1(Cl)Cl)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000856889681 662049832 /nfs/dbraw/zinc/04/98/32/662049832.db2.gz NFONGETYGIXEKE-AWEZNQCLSA-N 1 0 378.344 2.857 20 0 GFADRO CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)c1cc(Br)c[nH]c1=O ZINC000857092299 662063523 /nfs/dbraw/zinc/06/35/23/662063523.db2.gz NZYSRTVETRJSCT-UHFFFAOYSA-N 1 0 378.270 2.884 20 0 GFADRO C[NH+](C)CCc1ccccc1NC(=O)c1c(Br)nc2n1CCOC2 ZINC000857187763 662067298 /nfs/dbraw/zinc/06/72/98/662067298.db2.gz HJCVEBMQVWUPJW-UHFFFAOYSA-N 1 0 393.285 2.532 20 0 GFADRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)[C@@]2(C)CC2(Br)Br)C1 ZINC000857598287 662082522 /nfs/dbraw/zinc/08/25/22/662082522.db2.gz LZZZUSBNSBBASM-DMDPSCGWSA-N 1 0 394.151 2.825 20 0 GFADRO CC[N@@H+]1C[C@H](C)N(C(=O)[C@@]2(C)CC2(Br)Br)C[C@H]1C ZINC000857601411 662082788 /nfs/dbraw/zinc/08/27/88/662082788.db2.gz KZNSEFZHMPKYMZ-JFGNBEQYSA-N 1 0 382.140 2.824 20 0 GFADRO C[NH+](C)Cc1ccc(NC(=O)c2c(Br)nc3n2CCOC3)cc1F ZINC000857712472 662088148 /nfs/dbraw/zinc/08/81/48/662088148.db2.gz PXTQEXKNLFALNL-UHFFFAOYSA-N 1 0 397.248 2.629 20 0 GFADRO COc1cc(C(=O)N2C[C@H]([NH+](C)C)CCc3cc(Br)ccc32)on1 ZINC000857880149 662093169 /nfs/dbraw/zinc/09/31/69/662093169.db2.gz CWTKUXSDCJXAMZ-CYBMUJFWSA-N 1 0 394.269 2.969 20 0 GFADRO C[NH+](C)[C@H]1CCc2cc(Br)ccc2N(C(=O)C[C@@H]2COC(=O)C2)C1 ZINC000857880889 662093372 /nfs/dbraw/zinc/09/33/72/662093372.db2.gz NXWBKRPUTPCFPC-WFASDCNBSA-N 1 0 395.297 2.612 20 0 GFADRO Cn1nc(C(=O)N2C[C@H]([NH+](C)C)CCc3ccccc32)cc1Br ZINC000857925189 662094785 /nfs/dbraw/zinc/09/47/85/662094785.db2.gz IAHFKCBCRNNZDN-CYBMUJFWSA-N 1 0 377.286 2.706 20 0 GFADRO COc1ccc(OC)c([C@@H](O)C[NH2+]Cc2cc(C)c(Br)cn2)c1 ZINC000858093363 662098304 /nfs/dbraw/zinc/09/83/04/662098304.db2.gz ZHEJFYRBZRJFNC-INIZCTEOSA-N 1 0 381.270 2.993 20 0 GFADRO Cn1cc(C[NH2+]C2CCN(C(=O)c3ccccc3F)CC2)c(Br)n1 ZINC000858097353 662098585 /nfs/dbraw/zinc/09/85/85/662098585.db2.gz JTHNPNFNSAPHCR-UHFFFAOYSA-N 1 0 395.276 2.716 20 0 GFADRO COCO[C@H](C)c1cc(F)c(C[NH2+][C@H]2CC(=O)N(C)C2)cc1Br ZINC000858120041 662099686 /nfs/dbraw/zinc/09/96/86/662099686.db2.gz WSRCJRFAEGBOHT-PWSUYJOCSA-N 1 0 389.265 2.590 20 0 GFADRO Cc1nc(CN2CCC(C[NH2+]Cc3cn(C)nc3Br)CC2)oc1C ZINC000858134324 662100352 /nfs/dbraw/zinc/10/03/52/662100352.db2.gz PPVQVBGRTCMGMN-UHFFFAOYSA-N 1 0 396.333 2.789 20 0 GFADRO COc1cc(C[NH2+]CC2CCN(S(=O)(=O)C(F)F)CC2)ccc1Cl ZINC000858136577 662100630 /nfs/dbraw/zinc/10/06/30/662100630.db2.gz OXPOCVAAQJUKGI-UHFFFAOYSA-N 1 0 382.860 2.703 20 0 GFADRO COc1cc(OC)cc([C@@H](O)C[NH2+]Cc2cc(C)c(Br)cn2)c1 ZINC000858140396 662101103 /nfs/dbraw/zinc/10/11/03/662101103.db2.gz CTGPQIVYHHYOJV-KRWDZBQOSA-N 1 0 381.270 2.993 20 0 GFADRO COCO[C@H](C)c1cc(F)c(C[NH2+][C@@H](C)CC(N)=O)cc1Br ZINC000858151049 662101786 /nfs/dbraw/zinc/10/17/86/662101786.db2.gz RGLDFKJWOJXUEL-VHSXEESVSA-N 1 0 377.254 2.623 20 0 GFADRO COCO[C@H](C)c1cc(F)c(C[NH2+]C[C@](C)(CO)OC)cc1Br ZINC000858186121 662103803 /nfs/dbraw/zinc/10/38/03/662103803.db2.gz QZCLUDICQXPWKN-BDJLRTHQSA-N 1 0 394.281 2.757 20 0 GFADRO CC[C@H]([NH2+][C@@H]1CC=C(C(=O)OC)C1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000858475292 662112977 /nfs/dbraw/zinc/11/29/77/662112977.db2.gz XYKGXQVNKMMMGU-HIFRSBDPSA-N 1 0 386.901 2.551 20 0 GFADRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2cnc(Cl)c(Cl)c2)CC[C@@H]1C(F)(F)F ZINC000858623941 662117063 /nfs/dbraw/zinc/11/70/63/662117063.db2.gz QFNZNQVFKLSSBI-APPZFPTMSA-N 1 0 392.230 2.536 20 0 GFADRO C[N@@H+]1CCCC[C@@H](CNC(=O)N[C@@H](CO)c2ccc(Br)cc2)C1 ZINC000858767014 662122305 /nfs/dbraw/zinc/12/23/05/662122305.db2.gz YXSZPPVQBILMBQ-BBRMVZONSA-N 1 0 384.318 2.514 20 0 GFADRO COC(=O)Nc1ccc(S(=O)(=O)NCC2([NH+](C)C)CCCC2)cc1Cl ZINC000858901794 662127014 /nfs/dbraw/zinc/12/70/14/662127014.db2.gz LPUBJDPSHRNJJS-UHFFFAOYSA-N 1 0 389.905 2.671 20 0 GFADRO CCC(F)(F)C(C)(C)CS(=O)(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000858985792 662130550 /nfs/dbraw/zinc/13/05/50/662130550.db2.gz PNSPCDODVFTZIZ-OAHLLOKOSA-N 1 0 382.517 2.621 20 0 GFADRO C[C@H](CNC(=O)/C=C\c1csc(C(F)(F)F)c1)C[NH+]1CCN(C)CC1 ZINC000859361944 662156587 /nfs/dbraw/zinc/15/65/87/662156587.db2.gz UHRLRHXYUDYMFB-DHCBQETCSA-N 1 0 375.460 2.780 20 0 GFADRO O=c1ccc([C@@H]2OCC[C@H]2[NH2+]C[C@H](O)c2ccc(Br)cc2)c[nH]1 ZINC000859878494 662177429 /nfs/dbraw/zinc/17/74/29/662177429.db2.gz HNGNUKXOPVDIGJ-VYDXJSESSA-N 1 0 379.254 2.703 20 0 GFADRO COCC[NH+]1CCC(OC(=O)[C@H]2[C@@H]3c4cccc(Br)c4C[C@H]23)CC1 ZINC000860861478 662218565 /nfs/dbraw/zinc/21/85/65/662218565.db2.gz UGIRJPWHQBUFAZ-CGTJXYLNSA-N 1 0 394.309 2.989 20 0 GFADRO Cc1cnc(Br)cc1NC(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000860971627 662222563 /nfs/dbraw/zinc/22/25/63/662222563.db2.gz KIDVTBNBWJRINJ-UHFFFAOYSA-N 1 0 397.317 2.871 20 0 GFADRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)c1ccc(SC(F)(F)F)nc1 ZINC000861171221 662232310 /nfs/dbraw/zinc/23/23/10/662232310.db2.gz FHCVKYHITVGMJO-LLVKDONJSA-N 1 0 377.432 2.611 20 0 GFADRO CO[C@@H]1C[N@H+](C)[C@](C)(COC(=O)c2cnn(C(C)(C)C)c2Br)C1 ZINC000861356608 662242391 /nfs/dbraw/zinc/24/23/91/662242391.db2.gz MTZYJPKGAGMIEW-ZBEGNZNMSA-N 1 0 388.306 2.667 20 0 GFADRO C[C@@H]1CC[C@H](NC(=O)N2CCO[C@@H](c3ccccc3Br)C2)C[NH2+]1 ZINC000861685650 662255019 /nfs/dbraw/zinc/25/50/19/662255019.db2.gz JCADPPZYEHIREI-DVOMOZLQSA-N 1 0 382.302 2.673 20 0 GFADRO CC[C@@H](C(=O)N1CC(C[NH+]2CCN(C)CC2)C1)c1ccc(Br)cc1 ZINC000861823712 662260142 /nfs/dbraw/zinc/26/01/42/662260142.db2.gz ANTAUUQXUKNJMN-GOSISDBHSA-N 1 0 394.357 2.649 20 0 GFADRO CCN(C(=O)C[C@@](O)(c1nc(C)cs1)C(F)(F)F)C1CC[NH+](C)CC1 ZINC000861894299 662262804 /nfs/dbraw/zinc/26/28/04/662262804.db2.gz AKFKDDXIMBXVJO-OAHLLOKOSA-N 1 0 379.448 2.534 20 0 GFADRO C[NH+](C)CCCC(C)(C)NC(=O)c1cc(Br)c2ncc(C=O)n2c1 ZINC000861902976 662262982 /nfs/dbraw/zinc/26/29/82/662262982.db2.gz GCWSITBDPKWTCY-UHFFFAOYSA-N 1 0 395.301 2.760 20 0 GFADRO C[NH+](C)CCC[C@@H]1CN(C(=O)c2ccc(SC(F)(F)F)nc2)CCO1 ZINC000862236975 662275684 /nfs/dbraw/zinc/27/56/84/662275684.db2.gz TZZOQPSENLQPOF-CYBMUJFWSA-N 1 0 377.432 2.876 20 0 GFADRO COC(=O)[C@H](Cc1ccccc1)[C@H](C)[NH2+]Cc1cn(C)nc1Br ZINC000862360468 662282188 /nfs/dbraw/zinc/28/21/88/662282188.db2.gz MMADSKLZUDDJHH-SWLSCSKDSA-N 1 0 380.286 2.693 20 0 GFADRO C[C@H](C[C@H](C)[NH2+]Cc1cn(C)nc1Br)NC(=O)OC(C)(C)C ZINC000862398365 662285187 /nfs/dbraw/zinc/28/51/87/662285187.db2.gz GNAJUTCRFSJNJA-WDEREUQCSA-N 1 0 375.311 2.964 20 0 GFADRO O=C(NC[C@@H]1CC[N@@H+]1C1CCCC1)c1c(Br)nc2n1CCCC2 ZINC000863032411 662309071 /nfs/dbraw/zinc/30/90/71/662309071.db2.gz OFOKSIWDHBVCTP-ZDUSSCGKSA-N 1 0 381.318 2.729 20 0 GFADRO CCN1C(=O)CN(CN2CC[C@H](Sc3ccc(Br)cc3)C2)C1=O ZINC000863279907 662317836 /nfs/dbraw/zinc/31/78/36/662317836.db2.gz HYMKRILKOQWSOX-AWEZNQCLSA-N 1 0 398.326 2.857 20 0 GFADRO [NH3+][C@H]1CC=C(c2nc(Cc3cc(Br)c4c(c3)OCCO4)no2)C1 ZINC000863667738 662342737 /nfs/dbraw/zinc/34/27/37/662342737.db2.gz OUJGQXLFJCQRMH-NSHDSACASA-N 1 0 378.226 2.699 20 0 GFADRO NS(=O)(=O)c1ccc(-c2ccc(CC[NH+]3CCOCC3)cc2)cc1Cl ZINC000863979093 662351893 /nfs/dbraw/zinc/35/18/93/662351893.db2.gz ADOMKQMUKMLZRB-UHFFFAOYSA-N 1 0 380.897 2.529 20 0 GFADRO CC1(C)[C@H](NC(=O)c2cc3c(cc2Br)OCO3)[C@H]2CCC[NH2+][C@H]21 ZINC000864088549 662354267 /nfs/dbraw/zinc/35/42/67/662354267.db2.gz DUKFHORDAQKELZ-TZTCFGBESA-N 1 0 381.270 2.684 20 0 GFADRO CC[NH+]1CCC(NC(=O)c2ccc(I)cc2OC)CC1 ZINC000864610340 662381506 /nfs/dbraw/zinc/38/15/06/662381506.db2.gz NJRKSIAQZULXPB-UHFFFAOYSA-N 1 0 388.249 2.514 20 0 GFADRO COC[C@H](NC(=S)NC1CC[NH+](C)CC1)c1cccc(Br)c1 ZINC000865270296 662408584 /nfs/dbraw/zinc/40/85/84/662408584.db2.gz OHGALSNERJLMFW-HNNXBMFYSA-N 1 0 386.359 2.695 20 0 GFADRO C[C@H](Cc1ccccc1Br)[NH2+]Cc1cn(C[C@@H]2CCCO2)nn1 ZINC000865492217 662424831 /nfs/dbraw/zinc/42/48/31/662424831.db2.gz PYGMLYKQAJWKQE-CJNGLKHVSA-N 1 0 379.302 2.940 20 0 GFADRO COc1ncc(Br)cc1C[NH2+]C[C@@H]1CS(=O)(=O)c2ccccc21 ZINC000865582327 662430458 /nfs/dbraw/zinc/43/04/58/662430458.db2.gz GZAIEFZGNLXZDV-GFCCVEGCSA-N 1 0 397.294 2.513 20 0 GFADRO Brc1ccc(-c2noc(N3CC[NH+](C4CCOCC4)CC3)n2)cc1 ZINC000865579735 662430529 /nfs/dbraw/zinc/43/05/29/662430529.db2.gz DLAMXPALUCWPIJ-UHFFFAOYSA-N 1 0 393.285 2.800 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@H](Nc2cccc(OC(F)(F)F)c2S(N)(=O)=O)C1 ZINC000865587389 662430867 /nfs/dbraw/zinc/43/08/67/662430867.db2.gz NJRHPRJBCANEHG-WDEREUQCSA-N 1 0 381.420 2.517 20 0 GFADRO COc1cc(C[NH2+]CC[S@](=O)CC(F)(F)F)c(F)cc1Br ZINC000865622165 662432596 /nfs/dbraw/zinc/43/25/96/662432596.db2.gz NYANIVODEYQHEF-NRFANRHFSA-N 1 0 392.212 2.997 20 0 GFADRO COc1cc(C[NH2+]CC[S@@](=O)CC(F)(F)F)c(F)cc1Br ZINC000865622166 662432624 /nfs/dbraw/zinc/43/26/24/662432624.db2.gz NYANIVODEYQHEF-OAQYLSRUSA-N 1 0 392.212 2.997 20 0 GFADRO CC(C)(O)CN1CC[C@H]([NH2+]Cc2ccc(Br)c3cccnc23)C1 ZINC000865659113 662434442 /nfs/dbraw/zinc/43/44/42/662434442.db2.gz HLERSFZMWQERAM-AWEZNQCLSA-N 1 0 378.314 2.932 20 0 GFADRO CN(CCCN1CC[NH+](C)CC1)C(=O)/C=C\c1ccsc1C(F)(F)F ZINC000865675505 662435540 /nfs/dbraw/zinc/43/55/40/662435540.db2.gz RYFVXJYRXZGEKY-PLNGDYQASA-N 1 0 375.460 2.876 20 0 GFADRO Brc1ccccc1-n1cc(C[NH2+][C@@H]2[C@H]3C[C@H]4CO[C@H]2[C@H]4C3)nn1 ZINC000865696497 662436996 /nfs/dbraw/zinc/43/69/96/662436996.db2.gz RMCZOHSSJWJLRL-LTYOYNHOSA-N 1 0 375.270 2.543 20 0 GFADRO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]CC[C@H]1CCCS1 ZINC000865725636 662439350 /nfs/dbraw/zinc/43/93/50/662439350.db2.gz ATGAGRDUORFWHD-QWHCGFSZSA-N 1 0 377.963 2.580 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+][C@H]1C[C@H](SC)C1 ZINC000865733146 662439968 /nfs/dbraw/zinc/43/99/68/662439968.db2.gz FGICKSPYRVIFGE-BPNCWPANSA-N 1 0 387.343 2.946 20 0 GFADRO C[C@](CO)(Cc1ccc(Cl)cc1)[NH2+]Cc1cccc(NS(C)(=O)=O)c1 ZINC000865771157 662442381 /nfs/dbraw/zinc/44/23/81/662442381.db2.gz GHWCPCUCRVUGSZ-GOSISDBHSA-N 1 0 382.913 2.795 20 0 GFADRO O=C1OC[C@]2(C[NH2+]Cc3cc4cc(Br)ccc4o3)COCCN12 ZINC000865769798 662442427 /nfs/dbraw/zinc/44/24/27/662442427.db2.gz DJTQIYNCKVKWSW-INIZCTEOSA-N 1 0 381.226 2.506 20 0 GFADRO O=c1[nH]c(C[NH2+][C@@H]2CCc3cccc(Br)c3C2)nc2c1COCC2 ZINC000865866503 662448037 /nfs/dbraw/zinc/44/80/37/662448037.db2.gz NDEMLLOHOORBFO-GFCCVEGCSA-N 1 0 390.281 2.665 20 0 GFADRO C[C@@H]1C[C@@H](N(C)C(=O)c2ccc(I)cc2O)CC[N@@H+]1C ZINC000866050079 662458499 /nfs/dbraw/zinc/45/84/99/662458499.db2.gz VVLRWXCNYIFFLD-PWSUYJOCSA-N 1 0 388.249 2.552 20 0 GFADRO CN(C(=O)c1cc(Br)ncc1Br)[C@H]1CCC[N@H+](C)C1 ZINC000866068755 662459127 /nfs/dbraw/zinc/45/91/27/662459127.db2.gz YIDDNWSLLGHJDC-VIFPVBQESA-N 1 0 391.107 2.773 20 0 GFADRO CN1CC[NH+](C2CCN(C(=O)Nc3ccc(Br)cc3F)CC2)CC1 ZINC000866154259 662462320 /nfs/dbraw/zinc/46/23/20/662462320.db2.gz RQERMTKKAKGQER-UHFFFAOYSA-N 1 0 399.308 2.832 20 0 GFADRO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)c2cc(Br)cn3ccnc23)C1 ZINC000866280249 662466596 /nfs/dbraw/zinc/46/65/96/662466596.db2.gz QICQVBNONAXGPX-CQSZACIVSA-N 1 0 391.313 2.901 20 0 GFADRO C/C(=C\c1ccc(Br)o1)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000866381607 662469576 /nfs/dbraw/zinc/46/95/76/662469576.db2.gz RZDCWCQYITVUSG-JWAFFJSPSA-N 1 0 383.286 2.626 20 0 GFADRO CC[C@H]([NH2+][C@H]1[C@@H]2OC[C@@H]3C[C@H]1C[C@@H]32)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000866446322 662473572 /nfs/dbraw/zinc/47/35/72/662473572.db2.gz UJUKDASIOBHXPX-HVQOGQCDSA-N 1 0 384.929 2.712 20 0 GFADRO C[NH+]1CCC(N(Cc2ccco2)S(=O)(=O)c2ccc(Cl)nc2F)CC1 ZINC000866455326 662474296 /nfs/dbraw/zinc/47/42/96/662474296.db2.gz XRPRTTFYWWECNH-UHFFFAOYSA-N 1 0 387.864 2.752 20 0 GFADRO O=C1OC[C@@]2(C[NH2+][C@H](c3ccc(Br)cc3F)C3CC3)COCCN12 ZINC000866519378 662478388 /nfs/dbraw/zinc/47/83/88/662478388.db2.gz AGPLEFYQQBRBGB-DOTOQJQBSA-N 1 0 399.260 2.850 20 0 GFADRO C[C@@H]([NH2+]C[C@@]12COC(=O)N1CCOC2)c1cc(F)c(Br)cc1F ZINC000866523991 662478943 /nfs/dbraw/zinc/47/89/43/662478943.db2.gz XMRAALQJXADWGP-RFAUZJTJSA-N 1 0 391.212 2.599 20 0 GFADRO CC(C)(C[NH2+][C@@H]1CCCOc2ccc(Br)cc21)CS(N)(=O)=O ZINC000866570739 662480801 /nfs/dbraw/zinc/48/08/01/662480801.db2.gz PJCZFRPCHSGDTK-CYBMUJFWSA-N 1 0 391.331 2.567 20 0 GFADRO CC[C@H](C[C@H](C)O)[NH2+][C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000866632845 662486258 /nfs/dbraw/zinc/48/62/58/662486258.db2.gz CIHKISPPZKBAQK-ZKYQVNSYSA-N 1 0 376.316 2.807 20 0 GFADRO CC(C)n1ncc(C(=O)N2CC[C@H](OCC[NH+]3CCCC3)C2)c1Br ZINC000866654746 662487585 /nfs/dbraw/zinc/48/75/85/662487585.db2.gz MBVWPIUWUKKABK-AWEZNQCLSA-N 1 0 399.333 2.553 20 0 GFADRO O=S(=O)(c1oc2ccccc2c1Br)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000866743717 662493593 /nfs/dbraw/zinc/49/35/93/662493593.db2.gz ZPJQXGYHAGIROG-NSHDSACASA-N 1 0 385.283 2.710 20 0 GFADRO CN(c1ccc(OCC[NH+](C)C)cc1)S(=O)(=O)C[C@@H]1CCC(F)(F)C1 ZINC000866766948 662496026 /nfs/dbraw/zinc/49/60/26/662496026.db2.gz FVRNYGCZKJULDM-CQSZACIVSA-N 1 0 376.469 2.828 20 0 GFADRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cc(Br)cn3ccnc23)C1 ZINC000866777008 662497358 /nfs/dbraw/zinc/49/73/58/662497358.db2.gz NPTJNJPGKNOGFQ-IUODEOHRSA-N 1 0 377.286 2.653 20 0 GFADRO C/C(=C/c1ccc(Br)o1)C(=O)NCCCC[N@@H+]1CCC[C@H]1CO ZINC000866783799 662498222 /nfs/dbraw/zinc/49/82/22/662498222.db2.gz VWKSFOTXHSSUSV-FZDNWWAKSA-N 1 0 385.302 2.799 20 0 GFADRO COC(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CC[NH2+]CC(C)(C)C2)cc1Cl ZINC000866796309 662499422 /nfs/dbraw/zinc/49/94/22/662499422.db2.gz CEZLHYGLHMXDCP-LLVKDONJSA-N 1 0 389.905 2.575 20 0 GFADRO O=S(=O)(/C=C\c1ccccc1Br)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000866808903 662500538 /nfs/dbraw/zinc/50/05/38/662500538.db2.gz BXUPDZHRVGGRBN-ZVOIPUEOSA-N 1 0 385.327 2.870 20 0 GFADRO COCCC1(NS(=O)(=O)Cc2c(Cl)cccc2Cl)CC[NH2+]CC1 ZINC000866820732 662501856 /nfs/dbraw/zinc/50/18/56/662501856.db2.gz LXHSVEWNQPTMHG-UHFFFAOYSA-N 1 0 381.325 2.572 20 0 GFADRO O=S(=O)(c1csc(-c2ccc(Cl)cc2)n1)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000866828592 662502386 /nfs/dbraw/zinc/50/23/86/662502386.db2.gz XDPBVKXNDPDXNC-KBPBESRZSA-N 1 0 383.926 2.979 20 0 GFADRO CC(=O)c1ccc(OS(=O)(=O)CCC[NH+]2CCCC2)c(Br)c1 ZINC000867460749 662551657 /nfs/dbraw/zinc/55/16/57/662551657.db2.gz UBHVMQVWAJPEDZ-UHFFFAOYSA-N 1 0 390.299 2.846 20 0 GFADRO CN1CC[NH+](CCC(C)(C)NC(=O)C(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000867481268 662553142 /nfs/dbraw/zinc/55/31/42/662553142.db2.gz OZHHQVUWIJWCCD-UHFFFAOYSA-N 1 0 386.323 2.708 20 0 GFADRO CC1([NH+]2CCCC2)CCN(S(=O)(=O)c2ccc(Br)o2)CC1 ZINC000867601674 662562089 /nfs/dbraw/zinc/56/20/89/662562089.db2.gz WXKWNVKJGTZVAW-UHFFFAOYSA-N 1 0 377.304 2.681 20 0 GFADRO Cc1cccc(C[N@@H+]2CC[C@H](NS(=O)(=O)Cc3ccc(Cl)nc3)C2)c1 ZINC000867651409 662565679 /nfs/dbraw/zinc/56/56/79/662565679.db2.gz WCEWKUGEZGIEMK-KRWDZBQOSA-N 1 0 379.913 2.737 20 0 GFADRO O=C(NCC[N@@H+]1CCc2ccccc2C1)NCc1ncc(Br)s1 ZINC000868003803 662591076 /nfs/dbraw/zinc/59/10/76/662591076.db2.gz MDTYJYDXYZBWLJ-UHFFFAOYSA-N 1 0 395.326 2.763 20 0 GFADRO C[C@H](NC(=O)c1cnn(-c2cccc(Br)c2)c1)C1CC[NH2+]CC1 ZINC000868009583 662591215 /nfs/dbraw/zinc/59/12/15/662591215.db2.gz GLRYYPOCPXCCOD-LBPRGKRZSA-N 1 0 377.286 2.753 20 0 GFADRO C[NH+](C)C1(CNC(=O)NCc2ncc(Br)s2)CCCCC1 ZINC000868015480 662591524 /nfs/dbraw/zinc/59/15/24/662591524.db2.gz ZOCNOFAIMZWQJW-UHFFFAOYSA-N 1 0 375.336 2.969 20 0 GFADRO O=C(Nc1cc2c(cc1Br)OCCO2)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000868094941 662594422 /nfs/dbraw/zinc/59/44/22/662594422.db2.gz RSGPQBBWAGMJKN-YPMHNXCESA-N 1 0 382.258 2.579 20 0 GFADRO Cc1cc(I)ccc1NC(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000868091024 662594466 /nfs/dbraw/zinc/59/44/66/662594466.db2.gz UPOQMJMNAGXNGC-KBPBESRZSA-N 1 0 385.249 2.958 20 0 GFADRO COc1cc(Br)c(NC(=O)N2CCC[C@@H]3[NH2+]CC[C@H]32)cc1OC ZINC000868113293 662594815 /nfs/dbraw/zinc/59/48/15/662594815.db2.gz ZNOHUVZCMNZRHG-WCQYABFASA-N 1 0 384.274 2.825 20 0 GFADRO [NH3+][C@H]1C[C@H](CNC(=O)Nc2cc(Br)cnc2OCC(F)(F)F)C1 ZINC000868124032 662595080 /nfs/dbraw/zinc/59/50/80/662595080.db2.gz OJXXMKUUJDIWMV-XWEPSHTISA-N 1 0 397.195 2.644 20 0 GFADRO [NH3+][C@H]1C[C@H](CNC(=O)Nc2cc(I)ccc2Cl)C1 ZINC000868133836 662595643 /nfs/dbraw/zinc/59/56/43/662595643.db2.gz YIEFMPIIOXXIBD-XWEPSHTISA-N 1 0 379.629 2.803 20 0 GFADRO [NH3+][C@H]1C[C@@H](CNC(=O)Nc2nnc(-c3cccc(Br)c3)s2)C1 ZINC000868148670 662596423 /nfs/dbraw/zinc/59/64/23/662596423.db2.gz JWYBQMYLPVQEFJ-DKTWLAJQSA-N 1 0 382.287 2.826 20 0 GFADRO O=C(Nc1ccc2nccnc2c1Br)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000868157667 662597026 /nfs/dbraw/zinc/59/70/26/662597026.db2.gz GTYDSEDKUNKMQH-GXFFZTMASA-N 1 0 376.258 2.751 20 0 GFADRO O=C(NCc1ccc(Br)cn1)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000868169893 662597681 /nfs/dbraw/zinc/59/76/81/662597681.db2.gz DEOPHOBYMXITGC-INIZCTEOSA-N 1 0 391.269 2.827 20 0 GFADRO CC[NH+]1CCC(CCNC(=O)NCc2ncc(Br)s2)CC1 ZINC000868373691 662603574 /nfs/dbraw/zinc/60/35/74/662603574.db2.gz JHKIQOLZIRPVJY-UHFFFAOYSA-N 1 0 375.336 2.827 20 0 GFADRO CC(=O)N[C@@H](C(=O)NC(C)(C)CCC[NH+](C)C)c1cccc(Br)c1 ZINC000868719753 662616051 /nfs/dbraw/zinc/61/60/51/662616051.db2.gz GDXHHZBXBKYLEU-MRXNPFEDSA-N 1 0 398.345 2.863 20 0 GFADRO C[NH+]1CCC([C@H]2CCN(C(=O)NCc3ccc(Br)cn3)C2)CC1 ZINC000869118706 662630110 /nfs/dbraw/zinc/63/01/10/662630110.db2.gz LBLMCRWPHADJTC-AWEZNQCLSA-N 1 0 381.318 2.717 20 0 GFADRO COC[C@H](NC(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1)c1cccc(Br)c1 ZINC000869148629 662632044 /nfs/dbraw/zinc/63/20/44/662632044.db2.gz JSPJJWFEFBZTQL-PVAVHDDUSA-N 1 0 396.329 2.872 20 0 GFADRO CCC[N@@H+]1CC[C@@H](NC(=O)c2cc(Br)ncc2Br)C1 ZINC000869285198 662639702 /nfs/dbraw/zinc/63/97/02/662639702.db2.gz NNAOMXPKQJAMGQ-SECBINFHSA-N 1 0 391.107 2.821 20 0 GFADRO O=C(CCC12CC(C1)C[NH2+]2)NCCc1ccc(I)s1 ZINC000870878669 662704600 /nfs/dbraw/zinc/70/46/00/662704600.db2.gz JOIQHJUEPVDMIF-UHFFFAOYSA-N 1 0 390.290 2.544 20 0 GFADRO C[C@H](NC(=O)[C@H]([NH3+])c1cccc(Br)c1)[C@H](O)Cc1ccccc1 ZINC000870910249 662707597 /nfs/dbraw/zinc/70/75/97/662707597.db2.gz MNIHIZRNLFQSPH-JCURWCKSSA-N 1 0 377.282 2.557 20 0 GFADRO COCC[NH2+]C1CCN(C(=O)Cc2ccc(Br)cc2Cl)CC1 ZINC000870948518 662711049 /nfs/dbraw/zinc/71/10/49/662711049.db2.gz JQARJEDWZPPKOC-UHFFFAOYSA-N 1 0 389.721 2.872 20 0 GFADRO [NH3+][C@H]1C[C@H](CNC(=O)c2ccc(NC(=O)c3ccc(Br)o3)cc2)C1 ZINC000870970226 662711821 /nfs/dbraw/zinc/71/18/21/662711821.db2.gz LPHQTJKEYVQEGA-UMSPYCQHSA-N 1 0 392.253 2.762 20 0 GFADRO [NH3+][C@H]1C[C@H](CNC(=O)c2cc(I)cc(C(F)(F)F)c2)C1 ZINC000870971280 662711832 /nfs/dbraw/zinc/71/18/32/662711832.db2.gz YQXHYEAFTFZRJJ-AGGWVSIMSA-N 1 0 398.166 2.777 20 0 GFADRO Cn1c(-c2ccccc2Br)nnc1N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000871048359 662714274 /nfs/dbraw/zinc/71/42/74/662714274.db2.gz MZQDXOKOWAHPGQ-SWLSCSKDSA-N 1 0 376.302 2.775 20 0 GFADRO C[N@@H+]1CCN(C(=O)c2cnc3ncc(Br)cc3c2)CCC1(C)C ZINC000871155813 662716375 /nfs/dbraw/zinc/71/63/75/662716375.db2.gz CXTMAARSVVTPFT-UHFFFAOYSA-N 1 0 377.286 2.949 20 0 GFADRO [NH3+]C[C@H]1CN(S(=O)(=O)c2cc(Cl)sc2Cl)C[C@H]1C(F)(F)F ZINC000871810616 662734861 /nfs/dbraw/zinc/73/48/61/662734861.db2.gz IUKZHMGBCDIGMQ-NTSWFWBYSA-N 1 0 383.244 2.813 20 0 GFADRO [NH3+]C[C@H]1CN(S(=O)(=O)c2csc(-c3ccccc3)n2)C[C@@H]1C(F)(F)F ZINC000871812469 662735034 /nfs/dbraw/zinc/73/50/34/662735034.db2.gz ADJVTQQHEFTHHD-RYUDHWBXSA-N 1 0 391.440 2.568 20 0 GFADRO [NH3+]C[C@H]1CN(S(=O)(=O)c2csnc2-c2ccccc2)C[C@@H]1C(F)(F)F ZINC000871812845 662735135 /nfs/dbraw/zinc/73/51/35/662735135.db2.gz LPQPZBIMYKXABJ-RYUDHWBXSA-N 1 0 391.440 2.568 20 0 GFADRO [NH3+]C[C@H]1CN(S(=O)(=O)Cc2cc(Cl)cc(Cl)c2)C[C@H]1C(F)(F)F ZINC000871813757 662735303 /nfs/dbraw/zinc/73/53/03/662735303.db2.gz KKLPVFCFJZJVND-JOYOIKCWSA-N 1 0 391.242 2.892 20 0 GFADRO C[C@@H]([NH2+][C@@H](C)c1ccnn1C)C(=O)Nc1cccc(I)c1 ZINC000871927758 662742791 /nfs/dbraw/zinc/74/27/91/662742791.db2.gz QBMCUEBAINPHDR-WDEREUQCSA-N 1 0 398.248 2.703 20 0 GFADRO CC(C)(O)C[C@H](O)C[NH+]1CCC(C(=O)Nc2ccccc2Br)CC1 ZINC000871976433 662748273 /nfs/dbraw/zinc/74/82/73/662748273.db2.gz RTDBXFCHFMNMMR-AWEZNQCLSA-N 1 0 399.329 2.622 20 0 GFADRO O[C@]1(Cn2ccc(C(F)(F)Br)n2)CC[N@H+](Cc2ccccc2)C1 ZINC000871986132 662749377 /nfs/dbraw/zinc/74/93/77/662749377.db2.gz CNJSLAMRIPYBAU-OAHLLOKOSA-N 1 0 386.240 2.964 20 0 GFADRO Cn1cnc(CCC[NH2+][C@@H](c2cccc(Br)c2)[C@H]2CCOC2)n1 ZINC000872080628 662755424 /nfs/dbraw/zinc/75/54/24/662755424.db2.gz BCXGXNHNLYIGKL-YOEHRIQHSA-N 1 0 379.302 2.878 20 0 GFADRO C[C@@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH2+][C@@H]1CCOC[C@H]1O ZINC000872140899 662756411 /nfs/dbraw/zinc/75/64/11/662756411.db2.gz CJIAVSUBWWWOLQ-MRCXROJRSA-N 1 0 380.794 2.815 20 0 GFADRO [NH3+]C[C@@H]1CN(Cc2cc3c(cc2Br)OCO3)C[C@H]1C(F)(F)F ZINC000872148208 662756698 /nfs/dbraw/zinc/75/66/98/662756698.db2.gz OHQUUZKGYIRLOZ-NXEZZACHSA-N 1 0 381.192 2.747 20 0 GFADRO C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000872150759 662756876 /nfs/dbraw/zinc/75/68/76/662756876.db2.gz RPRFHXSBRGEWBR-YIYPIFLZSA-N 1 0 375.460 2.869 20 0 GFADRO CCN(Cc1cccc(Br)c1)C(=O)C(=O)N(C)CCCCCC[NH3+] ZINC000872185754 662757766 /nfs/dbraw/zinc/75/77/66/662757766.db2.gz CYMKELAHSSNVBM-UHFFFAOYSA-N 1 0 398.345 2.775 20 0 GFADRO CC(C)(O)C[C@@H](O)C[NH2+]Cc1cc(Br)ccc1Br ZINC000872206615 662757824 /nfs/dbraw/zinc/75/78/24/662757824.db2.gz YCFMAEIOAMOYMH-LLVKDONJSA-N 1 0 381.108 2.823 20 0 GFADRO O[C@@H](C[NH2+]C[C@H]1CC2(CO1)CCOCC2)COc1ccc(Cl)cc1Cl ZINC000872230720 662758524 /nfs/dbraw/zinc/75/85/24/662758524.db2.gz HVZJDNKGMJKZCH-LSDHHAIUSA-N 1 0 390.307 2.908 20 0 GFADRO CC(=O)N[C@@H](CC(=O)N1CC[NH2+]CCC1(C)C)c1ccc(Br)cc1 ZINC000872292904 662760015 /nfs/dbraw/zinc/76/00/15/662760015.db2.gz WQGWQBXEFMQAKR-INIZCTEOSA-N 1 0 396.329 2.617 20 0 GFADRO CCN(Cc1ccc(C[NH+](C)C)cc1)S(=O)(=O)N=[S@](C)(=O)C(C)(C)C ZINC000872446094 662767389 /nfs/dbraw/zinc/76/73/89/662767389.db2.gz URAFZZVBZFLOAD-XMMPIXPASA-N 1 0 389.587 2.711 20 0 GFADRO COC(=O)c1csc(S(=O)(=O)N2CCC(C)([NH+]3CCCCC3)CC2)c1 ZINC000872531069 662775538 /nfs/dbraw/zinc/77/55/38/662775538.db2.gz HUMKAIPCPYVHHB-UHFFFAOYSA-N 1 0 386.539 2.564 20 0 GFADRO CCC1([NH+](C)C)CCN(CN2c3cc(Br)ccc3C(=O)C2=O)CC1 ZINC000872669985 662784535 /nfs/dbraw/zinc/78/45/35/662784535.db2.gz ZVAHPDBSUWSTNF-UHFFFAOYSA-N 1 0 394.313 2.742 20 0 GFADRO Fc1cccc(C[NH2+][C@@H]2CCO[C@]3(CCOC3)C2)c1I ZINC000873100289 662799571 /nfs/dbraw/zinc/79/95/71/662799571.db2.gz NURDHOVWRUNFBP-IUODEOHRSA-N 1 0 391.224 2.858 20 0 GFADRO OCC[C@H]([NH2+]Cc1cccc(F)c1I)C1CCOCC1 ZINC000873107318 662799998 /nfs/dbraw/zinc/79/99/98/662799998.db2.gz NNTKEIKVPIXHTP-AWEZNQCLSA-N 1 0 393.240 2.698 20 0 GFADRO OCC1([NH2+]Cc2cccc(F)c2I)CCSCC1 ZINC000873130797 662800967 /nfs/dbraw/zinc/80/09/67/662800967.db2.gz LEKFUEGYOUSDGD-UHFFFAOYSA-N 1 0 381.254 2.778 20 0 GFADRO COC(=O)c1cc(NC(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)ccc1Cl ZINC000873303589 662804965 /nfs/dbraw/zinc/80/49/65/662804965.db2.gz RWAJLAIOYGTICI-KCJUWKMLSA-N 1 0 379.766 2.728 20 0 GFADRO COC(=O)c1c(C)c(C)sc1NC(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000873308448 662805091 /nfs/dbraw/zinc/80/50/91/662805091.db2.gz WFAAXMUZEIYCSL-UWVGGRQHSA-N 1 0 379.404 2.752 20 0 GFADRO Cc1cc(Br)ncc1NC(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000873312285 662805147 /nfs/dbraw/zinc/80/51/47/662805147.db2.gz KTNFMLFRCIVUFD-RKDXNWHRSA-N 1 0 381.196 2.753 20 0 GFADRO COC(=O)c1cc(NC(=O)N[C@@]23CCC[C@H]2[NH2+]CC3)ccc1Br ZINC000873314329 662805243 /nfs/dbraw/zinc/80/52/43/662805243.db2.gz HPRDOUGVGVQGTL-CZUORRHYSA-N 1 0 382.258 2.642 20 0 GFADRO Cc1cc(NC(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)cnc1Br ZINC000873317236 662805339 /nfs/dbraw/zinc/80/53/39/662805339.db2.gz IVPZKKABRGGPIP-SCZZXKLOSA-N 1 0 381.196 2.753 20 0 GFADRO Cc1cnc(Br)c(NC(=O)N2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1 ZINC000873328693 662805586 /nfs/dbraw/zinc/80/55/86/662805586.db2.gz YWFOEVNHLDDSOF-IUCAKERBSA-N 1 0 381.196 2.753 20 0 GFADRO C[NH+](C)[C@]1(CNC(=O)C(=O)Nc2cc(Cl)cc(Cl)c2F)CCSC1 ZINC000873745444 662813158 /nfs/dbraw/zinc/81/31/58/662813158.db2.gz FEZFXQUCIVECGV-HNNXBMFYSA-N 1 0 394.299 2.625 20 0 GFADRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(C(=O)c2cc(N)nc(Br)c2)C1 ZINC000874249828 662826736 /nfs/dbraw/zinc/82/67/36/662826736.db2.gz VDZKTDNCGZHCQJ-YRGRVCCFSA-N 1 0 381.318 2.904 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)N(C)CCCCCC[NH3+] ZINC000874433060 662831085 /nfs/dbraw/zinc/83/10/85/662831085.db2.gz VEWFPPGKHKEIDC-UHFFFAOYSA-N 1 0 399.333 2.857 20 0 GFADRO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)c1cc(Br)cc2c1OCCO2 ZINC000874825027 662837469 /nfs/dbraw/zinc/83/74/69/662837469.db2.gz NOJQYYTUVDDFFP-UONOGXRCSA-N 1 0 381.270 2.529 20 0 GFADRO C[N@@H+]1CCC[C@H]2[C@H]1CCN2C(=O)c1cnc2ncc(Br)cc2c1 ZINC000874829062 662837636 /nfs/dbraw/zinc/83/76/36/662837636.db2.gz JODFCIXHRMJCMO-CABCVRRESA-N 1 0 375.270 2.701 20 0 GFADRO COc1cc(Br)c(C(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3C)cc1OC ZINC000874827349 662837641 /nfs/dbraw/zinc/83/76/41/662837641.db2.gz RDITXWIBAICFMN-ZIAGYGMSSA-N 1 0 383.286 2.775 20 0 GFADRO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)c1cnn(-c2ccccc2)c1Br ZINC000874834061 662837796 /nfs/dbraw/zinc/83/77/96/662837796.db2.gz OURLXIPPSXABQP-HZPDHXFCSA-N 1 0 389.297 2.944 20 0 GFADRO CSC1(CNC(=O)N2CC[C@@H](C(F)(F)F)O[C@H](C)C2)CC[NH+](C)CC1 ZINC000875597434 662848614 /nfs/dbraw/zinc/84/86/14/662848614.db2.gz JMOZEMXGZJBDRZ-OLZOCXBDSA-N 1 0 383.480 2.565 20 0 GFADRO COCCN(CC1CC[NH+](C)CC1)C(=O)c1ccc(OC)cc1Br ZINC000876164007 662856095 /nfs/dbraw/zinc/85/60/95/662856095.db2.gz AFMSIACAYVSNFV-UHFFFAOYSA-N 1 0 399.329 2.888 20 0 GFADRO C[C@@]1(Br)C[C@@H]1C(=O)Nc1cccc(C(=O)OC2CC[NH2+]CC2)c1 ZINC000876519539 662862317 /nfs/dbraw/zinc/86/23/17/662862317.db2.gz HBSLLYBOGWQNLF-RHSMWYFYSA-N 1 0 381.270 2.707 20 0 GFADRO Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)NCc1ccc(Br)c(F)c1 ZINC000876626511 662863623 /nfs/dbraw/zinc/86/36/23/662863623.db2.gz BAOWVMBUUXHFSD-CYBMUJFWSA-N 1 0 395.276 2.948 20 0 GFADRO CC[C@@H](CNC(=O)c1c(C[NH3+])cnn1C)Cc1cccc(Br)c1 ZINC000876673009 662864506 /nfs/dbraw/zinc/86/45/06/662864506.db2.gz IDWKWUNVADMUGA-GFCCVEGCSA-N 1 0 379.302 2.640 20 0 GFADRO CCOC(=O)[C@H](Cc1cc(Cl)cc(Cl)c1)NC(=O)[C@@H](F)[C@H]1CC[NH2+]C1 ZINC000876703940 662864986 /nfs/dbraw/zinc/86/49/86/662864986.db2.gz PEZSGQPFFYGOQH-CQDKDKBSSA-N 1 0 391.270 2.531 20 0 GFADRO Cc1sc(C[N@@H+](C)C2CCN(S(C)(=O)=O)CC2)cc1Br ZINC000876809648 662866777 /nfs/dbraw/zinc/86/67/77/662866777.db2.gz WFQCFHMVFLNIGH-UHFFFAOYSA-N 1 0 381.361 2.675 20 0 GFADRO O=C(N[C@H]1C[NH2+]CCC1(F)F)c1cc(Br)ccc1Br ZINC000876864067 662867389 /nfs/dbraw/zinc/86/73/89/662867389.db2.gz JVPQWOFGALGEML-JTQLQIEISA-N 1 0 398.045 2.939 20 0 GFADRO CCOC(=O)Nc1ccc(Br)cc1NC(=O)[C@H](F)[C@@H]1CC[NH2+]C1 ZINC000876896342 662867798 /nfs/dbraw/zinc/86/77/98/662867798.db2.gz AXJZCKINFHNCMP-NOZJJQNGSA-N 1 0 388.237 2.904 20 0 GFADRO CCOC(=O)Nc1ccc(Br)cc1NC(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000876898006 662867912 /nfs/dbraw/zinc/86/79/12/662867912.db2.gz XUEBEVZUFXGZQZ-KWQFWETISA-N 1 0 392.200 2.796 20 0 GFADRO Cc1nc(C2CC[NH2+]CC2)sc1C(=O)N1CCSC2(CCOCC2)C1 ZINC000876942990 662868436 /nfs/dbraw/zinc/86/84/36/662868436.db2.gz LIXORIVKQPOOCA-UHFFFAOYSA-N 1 0 381.567 2.657 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(C(=O)C(=O)c3cc(Cl)cc(Cl)c3)C2)C1 ZINC000876947146 662868438 /nfs/dbraw/zinc/86/84/38/662868438.db2.gz WTNIHTLOKSFHLO-XZJROXQQSA-N 1 0 385.291 2.921 20 0 GFADRO CCO[P@](C)(=O)CC[C@H](C)[NH2+]Cc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000876938338 662868479 /nfs/dbraw/zinc/86/84/79/662868479.db2.gz AEFLQJPKELZBSJ-PSLXWICFSA-N 1 0 376.459 2.750 20 0 GFADRO O=C(COc1ccccc1C[NH2+]C[C@H]1CC1(Cl)Cl)NC[C@H]1CCCO1 ZINC000876955736 662868619 /nfs/dbraw/zinc/86/86/19/662868619.db2.gz BSGVZYHVQZXDCK-HUUCEWRRSA-N 1 0 387.307 2.644 20 0 GFADRO C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)N1Cc2sc(C(=O)OC)c(Br)c2C1 ZINC000876981471 662869245 /nfs/dbraw/zinc/86/92/45/662869245.db2.gz QLGRBYFYHMMILC-HWKXXFMVSA-N 1 0 399.310 2.551 20 0 GFADRO CC(C)c1ncc2c(n1)CCN(C(=O)[C@H]([NH3+])c1cccc(Br)c1)C2 ZINC000876993287 662869375 /nfs/dbraw/zinc/86/93/75/662869375.db2.gz AVCFNEVDYOGUOT-MRXNPFEDSA-N 1 0 389.297 2.947 20 0 GFADRO C[NH2+]CCOCCN(C)C(=O)COc1ccc(C2SCCCS2)cc1 ZINC000877027509 662869802 /nfs/dbraw/zinc/86/98/02/662869802.db2.gz PBRYCFFJJZRBHN-UHFFFAOYSA-N 1 0 384.567 2.629 20 0 GFADRO C[C@H](Cc1ccccc1Br)[NH2+]Cc1cccc(S(N)(=O)=O)c1 ZINC000877092766 662870968 /nfs/dbraw/zinc/87/09/68/662870968.db2.gz JTZGYEBVZMGXPW-GFCCVEGCSA-N 1 0 383.311 2.817 20 0 GFADRO CC(C)(C[NH2+]C1CCN(S(=O)(=O)C(F)(F)F)CC1)Oc1ccccc1 ZINC000877108412 662871089 /nfs/dbraw/zinc/87/10/89/662871089.db2.gz NRKVPGKECLEOLX-UHFFFAOYSA-N 1 0 380.432 2.748 20 0 GFADRO CC(C)(O)C[NH+]1CCC(Nc2cc3c(cc2Br)OCCO3)CC1 ZINC000877162559 662871802 /nfs/dbraw/zinc/87/18/02/662871802.db2.gz IPOZWFURVDRPAZ-UHFFFAOYSA-N 1 0 385.302 2.868 20 0 GFADRO [NH3+]CC12CCC(CC1)N2C(=O)c1ccn(-c2cccc(Br)c2)n1 ZINC000877189271 662872100 /nfs/dbraw/zinc/87/21/00/662872100.db2.gz MYMQYSKZBJYAEP-UHFFFAOYSA-N 1 0 375.270 2.731 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000877277755 662872987 /nfs/dbraw/zinc/87/29/87/662872987.db2.gz ONSMTVFKCQQMOH-IAGOWNOFSA-N 1 0 389.297 2.910 20 0 GFADRO O=C(c1ccc(I)c(Cl)c1)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000877280755 662873107 /nfs/dbraw/zinc/87/31/07/662873107.db2.gz WSBVVZQHZPXIPW-CHWSQXEVSA-N 1 0 390.652 2.911 20 0 GFADRO O=C(c1ccc(Cl)c(I)c1)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000877281736 662873183 /nfs/dbraw/zinc/87/31/83/662873183.db2.gz ALMIJADGSDYYRU-OLZOCXBDSA-N 1 0 390.652 2.911 20 0 GFADRO O=C(NC[C@H]1CC2(CO1)CC[NH2+]CC2)c1cc2cc(Br)ccc2[nH]1 ZINC000877328339 662873643 /nfs/dbraw/zinc/87/36/43/662873643.db2.gz JBIPHCMKRILFEI-CQSZACIVSA-N 1 0 392.297 2.819 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)[C@@H]2COc3ccc(Br)cc32)C[C@H]1C(F)(F)F ZINC000877358179 662874308 /nfs/dbraw/zinc/87/43/08/662874308.db2.gz ODIPMLWTHYMMNS-GGZOMVNGSA-N 1 0 393.203 2.521 20 0 GFADRO Cc1ccc(CC(=O)N2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)cc1Br ZINC000877356624 662874322 /nfs/dbraw/zinc/87/43/22/662874322.db2.gz HESFKMLPQORHNG-NWDGAFQWSA-N 1 0 379.220 2.896 20 0 GFADRO CN[C@H](C(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1)c1cccc(Cl)c1Cl ZINC000877357369 662874344 /nfs/dbraw/zinc/87/43/44/662874344.db2.gz SCNCVJUIDGBHRY-JQEORGNBSA-N 1 0 384.229 2.850 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)CSCC(=O)c2ccc(Cl)cc2)C[C@@H]1C(F)(F)F ZINC000877364368 662874612 /nfs/dbraw/zinc/87/46/12/662874612.db2.gz MKMFOVOQVXFFNP-AAEUAGOBSA-N 1 0 394.846 2.852 20 0 GFADRO COCCOc1ccc(Cl)cc1C(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000877362496 662874638 /nfs/dbraw/zinc/87/46/38/662874638.db2.gz DALDITDSNVXOTD-ZWNOBZJWSA-N 1 0 380.794 2.574 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000877372469 662875082 /nfs/dbraw/zinc/87/50/82/662875082.db2.gz AEBURMYDCQNPJC-SCLBCKFNSA-N 1 0 389.297 2.625 20 0 GFADRO O=C(N[C@]12CCC[C@H]1[NH2+]CC2)c1ccn(-c2cccc(Br)c2)n1 ZINC000877389977 662875255 /nfs/dbraw/zinc/87/52/55/662875255.db2.gz AZDBYYWYCWEDIN-WBVHZDCISA-N 1 0 375.270 2.649 20 0 GFADRO C[C@H](NC(=O)c1ccc(Br)s1)C(=O)N(C)CCCCCC[NH3+] ZINC000877441730 662876079 /nfs/dbraw/zinc/87/60/79/662876079.db2.gz PYSMLVCAMIGZFM-NSHDSACASA-N 1 0 390.347 2.606 20 0 GFADRO Cn1ncc(C(=O)N2CCC[C@H](C[C@@H]([NH3+])C3CCCC3)C2)c1Br ZINC000877447055 662876153 /nfs/dbraw/zinc/87/61/53/662876153.db2.gz XFSRUMXMICBFAQ-IUODEOHRSA-N 1 0 383.334 2.942 20 0 GFADRO CCO[P@@](C)(=O)CC[C@H](C)[NH2+]CCNS(=O)(=O)c1ccc(F)cc1F ZINC000877499695 662877311 /nfs/dbraw/zinc/87/73/11/662877311.db2.gz UACRTPRILWHUGR-FNODVLLQSA-N 1 0 398.412 2.556 20 0 GFADRO Cc1ccc(CN2CC[NH+]([C@@H]3CCNC(=O)CC3)CC2)c(C)c1Br ZINC000877573077 662879143 /nfs/dbraw/zinc/87/91/43/662879143.db2.gz LEJRVEDZIXJOKL-KRWDZBQOSA-N 1 0 394.357 2.852 20 0 GFADRO Cc1sc(CN2CC[NH+]([C@@H]3CCNC(=O)CC3)CC2)cc1Br ZINC000877572487 662879160 /nfs/dbraw/zinc/87/91/60/662879160.db2.gz FSVVUAABMLKRRG-ZDUSSCGKSA-N 1 0 386.359 2.605 20 0 GFADRO OC[C@@H](C[NH2+]Cc1ccc(Cl)nn1)Cc1cc(Br)ccc1F ZINC000877571923 662879174 /nfs/dbraw/zinc/87/91/74/662879174.db2.gz BPKDRIWGNZANSV-SNVBAGLBSA-N 1 0 388.668 2.972 20 0 GFADRO CON(C)C(=O)[C@H](C)[NH2+][C@@H]1CCN(C)[C@H](c2ccc(Br)cc2)C1 ZINC000877659786 662881127 /nfs/dbraw/zinc/88/11/27/662881127.db2.gz CKQMILAJIADXIQ-MAZHCROVSA-N 1 0 384.318 2.582 20 0 GFADRO NS(=O)(=O)c1cccc(C[NH2+][C@@H]2[C@H]3Cc4cc(Br)ccc4[C@@H]23)c1 ZINC000877681012 662881853 /nfs/dbraw/zinc/88/18/53/662881853.db2.gz CBXLXKJNHONJLX-GVDBMIGSSA-N 1 0 393.306 2.524 20 0 GFADRO C[C@@](CO)(Cc1ccc(Br)cc1)[NH2+]Cc1cn2cccnc2n1 ZINC000877697642 662882122 /nfs/dbraw/zinc/88/21/22/662882122.db2.gz PXEVPADGCXVKHQ-KRWDZBQOSA-N 1 0 375.270 2.575 20 0 GFADRO Cn1ncc(I)c1C[NH2+]C[C@@H]1CCN(c2ccccc2)C1 ZINC000877774140 662883392 /nfs/dbraw/zinc/88/33/92/662883392.db2.gz HUSWZRAHANOWLT-ZDUSSCGKSA-N 1 0 396.276 2.641 20 0 GFADRO Brc1ccc(N2CC[NH+](C[C@@H]3CCC4(CCOCC4)O3)CC2)nc1 ZINC000877930259 662886262 /nfs/dbraw/zinc/88/62/62/662886262.db2.gz BDPUFJSMVJTFKE-INIZCTEOSA-N 1 0 396.329 2.694 20 0 GFADRO O=C(Cn1ccc(Br)cc1=O)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000878070627 662889320 /nfs/dbraw/zinc/88/93/20/662889320.db2.gz IMVZUGOSIMOENJ-UHFFFAOYSA-N 1 0 390.281 2.845 20 0 GFADRO CCOC(=O)CC[C@H]1CCC[N@H+](C[C@H](O)c2cc(Br)no2)C1 ZINC000878292813 662893382 /nfs/dbraw/zinc/89/33/82/662893382.db2.gz CCVCQJYQXUWNOJ-NEPJUHHUSA-N 1 0 375.263 2.526 20 0 GFADRO C[C@@H]([NH2+]C[C@@H](O)c1cc(Br)no1)c1ccc(N2CCOC2=O)cc1 ZINC000878358456 662894454 /nfs/dbraw/zinc/89/44/54/662894454.db2.gz PGLXYXCIKVNLOT-ZWNOBZJWSA-N 1 0 396.241 2.778 20 0 GFADRO CO[C@H]1C[C@@H](C[N@H+](CCNC(C)=O)Cc2ccc(Br)s2)C1 ZINC000878560806 662898876 /nfs/dbraw/zinc/89/88/76/662898876.db2.gz KZUFERPFWYSYRS-BETUJISGSA-N 1 0 375.332 2.874 20 0 GFADRO OC[C@H]([NH2+]C[C@H](O)C[C@H](O)c1ccccc1)c1ccc(Br)c(F)c1 ZINC000878645098 662901512 /nfs/dbraw/zinc/90/15/12/662901512.db2.gz HWDHJMBPEGAIFG-JLSDUUJJSA-N 1 0 398.272 2.696 20 0 GFADRO OC[C@H]([NH2+]C[C@@H]1CCC2(CCOCC2)O1)c1ccc(Br)c(F)c1 ZINC000878645432 662901757 /nfs/dbraw/zinc/90/17/57/662901757.db2.gz LETMXMAJOCNBSL-BBRMVZONSA-N 1 0 388.277 2.939 20 0 GFADRO OC[C@H]([NH2+]C[C@H]1CC2(CO1)CCOCC2)c1ccc(Br)c(F)c1 ZINC000878646227 662901777 /nfs/dbraw/zinc/90/17/77/662901777.db2.gz XKCCTPXJHIADAS-CJNGLKHVSA-N 1 0 388.277 2.797 20 0 GFADRO O[C@H](C[NH2+]C1(Cc2ccccc2)CCOCC1)c1cc(Br)no1 ZINC000878688792 662902588 /nfs/dbraw/zinc/90/25/88/662902588.db2.gz QYUWUSYPJCGAOP-CQSZACIVSA-N 1 0 381.270 2.852 20 0 GFADRO C[N@H+](C[C@H](O)C[C@@H](O)c1ccccc1)C[C@@H](O)c1cccc(Br)c1 ZINC000878709913 662903363 /nfs/dbraw/zinc/90/33/63/662903363.db2.gz WRAZUTACCIBOJW-GUDVDZBRSA-N 1 0 394.309 2.899 20 0 GFADRO C[C@@H]1CN(C[C@H](O)c2cc(Br)no2)CC[N@@H+]1Cc1ccccc1 ZINC000878711181 662903459 /nfs/dbraw/zinc/90/34/59/662903459.db2.gz JJUMZHHSIGUUHC-HIFRSBDPSA-N 1 0 380.286 2.677 20 0 GFADRO C[C@H]1CN(C[C@H](O)c2cc(Br)no2)CC[N@@H+]1Cc1ccccc1 ZINC000878711183 662903513 /nfs/dbraw/zinc/90/35/13/662903513.db2.gz JJUMZHHSIGUUHC-ZFWWWQNUSA-N 1 0 380.286 2.677 20 0 GFADRO Cn1nc(C(F)(F)F)c(C[NH2+][C@@H]([C@H]2CCCO2)C2(CO)CCC2)c1Cl ZINC000878869753 662907872 /nfs/dbraw/zinc/90/78/72/662907872.db2.gz MTXOPVREROVSPO-YPMHNXCESA-N 1 0 381.826 2.892 20 0 GFADRO NC(=O)[C@@H](F)C1CC[NH+](CCC(=O)Nc2cc(Cl)ccc2Cl)CC1 ZINC000879045631 662914566 /nfs/dbraw/zinc/91/45/66/662914566.db2.gz XKRCYEMSCCODLP-HNNXBMFYSA-N 1 0 376.259 2.857 20 0 GFADRO C[NH+](C)C1CCN(CCNC(=O)c2ccc(OC(F)F)c(Cl)c2)CC1 ZINC000879086525 662916020 /nfs/dbraw/zinc/91/60/20/662916020.db2.gz XYQIGVMFUIGGTC-UHFFFAOYSA-N 1 0 375.847 2.697 20 0 GFADRO CC(C)[NH+]1CCC(CCNC(=O)Nc2cn(C)cc(Br)c2=O)CC1 ZINC000879188342 662919775 /nfs/dbraw/zinc/91/97/75/662919775.db2.gz PXTPOBPRZRZTMN-UHFFFAOYSA-N 1 0 399.333 2.780 20 0 GFADRO CC(C)(C)OC(=O)N(CCO)C1CC[NH+](CC2(Br)CC2)CC1 ZINC000879228327 662921163 /nfs/dbraw/zinc/92/11/63/662921163.db2.gz ZPKAQYQUOJHSSH-UHFFFAOYSA-N 1 0 377.323 2.608 20 0 GFADRO C[NH+]1CCC(n2ccc(NC(=O)NCc3ccc(Br)cn3)n2)CC1 ZINC000879407643 662925525 /nfs/dbraw/zinc/92/55/25/662925525.db2.gz MVEWSVJGZDPKSB-UHFFFAOYSA-N 1 0 393.289 2.629 20 0 GFADRO COC[C@@H]([NH2+]CC[C@H]1CCS(=O)(=O)C1)c1cccc(Br)c1 ZINC000879662836 662935235 /nfs/dbraw/zinc/93/52/35/662935235.db2.gz MTSQZPLDSXWLDV-SWLSCSKDSA-N 1 0 376.316 2.551 20 0 GFADRO C[C@@H](NC(=O)C[NH+]1CCC2(CCNC2=O)CC1)c1ccc(Cl)c(Cl)c1 ZINC000879916503 662942123 /nfs/dbraw/zinc/94/21/23/662942123.db2.gz FXSSYROGRJRKDD-GFCCVEGCSA-N 1 0 384.307 2.773 20 0 GFADRO OC[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ncc(-c2cccc(Br)c2)o1 ZINC000880069549 662950058 /nfs/dbraw/zinc/95/00/58/662950058.db2.gz NYFISRAWWLYHDN-JKSUJKDBSA-N 1 0 392.297 2.745 20 0 GFADRO CN(Cc1ccccc1Br)C(=O)CN1CC[C@@H]2[C@H]1CCC[N@@H+]2C ZINC000880129460 662952151 /nfs/dbraw/zinc/95/21/51/662952151.db2.gz JLYXJCCRJQANRM-IAGOWNOFSA-N 1 0 380.330 2.576 20 0 GFADRO COC(=O)c1scc(C)c1NC(=O)[C@@H](C)[N@H+](C[C@H](O)CSC)C(C)C ZINC000880215992 662954775 /nfs/dbraw/zinc/95/47/75/662954775.db2.gz MBHFASCNLNCIMV-OLZOCXBDSA-N 1 0 388.555 2.604 20 0 GFADRO NC(=O)C[N@H+](CCSc1ccnc2cc(Cl)ccc21)C1CCOCC1 ZINC000880394817 662959079 /nfs/dbraw/zinc/95/90/79/662959079.db2.gz UUIDVVAQEWSDFL-UHFFFAOYSA-N 1 0 379.913 2.947 20 0 GFADRO C[C@H]1C[C@H](NC(=O)Nc2ccnc(N(C)C)c2)c2ccsc2S1(=O)=O ZINC000880608188 662964070 /nfs/dbraw/zinc/96/40/70/662964070.db2.gz KVWPGNPHKOOLMG-GWCFXTLKSA-N 1 0 380.495 2.638 20 0 GFADRO COc1cc(Br)ccc1NC(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000880630808 662965513 /nfs/dbraw/zinc/96/55/13/662965513.db2.gz KBLOSGSMOGIGCN-HUUCEWRRSA-N 1 0 398.301 2.521 20 0 GFADRO COCC[NH+]1CCC(NC(=O)Nc2c3c(ccc2Br)OCC3)CC1 ZINC000880800762 662971466 /nfs/dbraw/zinc/97/14/66/662971466.db2.gz ASXAFVLDSLVATF-UHFFFAOYSA-N 1 0 398.301 2.616 20 0 GFADRO C[NH+]1CCC(O)(CNC(=O)Nc2cnc3ccccc3c2Br)CC1 ZINC000880941969 662978816 /nfs/dbraw/zinc/97/88/16/662978816.db2.gz IDGWETMOWCILLA-UHFFFAOYSA-N 1 0 393.285 2.576 20 0 GFADRO COc1ccc(Br)cc1C(=O)N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000881473071 662995385 /nfs/dbraw/zinc/99/53/85/662995385.db2.gz OMZJYVSZRQBFGH-HNNXBMFYSA-N 1 0 397.313 2.831 20 0 GFADRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(c2ccc3nnc(Br)n3n2)C1 ZINC000881821851 663004743 /nfs/dbraw/zinc/00/47/43/663004743.db2.gz OZESJNAYIJCDIY-XQQFMLRXSA-N 1 0 379.306 2.728 20 0 GFADRO FC(F)(F)c1ncnc(NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c1Br ZINC000881868402 663007092 /nfs/dbraw/zinc/00/70/92/663007092.db2.gz CXJSOAUJZFFROE-BDAKNGLRSA-N 1 0 381.196 2.533 20 0 GFADRO CC(C)[NH2+]C1CCN(c2cnn(CC(F)(F)F)c(=O)c2Br)CC1 ZINC000881909436 663009407 /nfs/dbraw/zinc/00/94/07/663009407.db2.gz YNQBQPTXSQAHGW-UHFFFAOYSA-N 1 0 397.239 2.535 20 0 GFADRO C[S@](=O)(=NS(=O)(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1)C1CCCCC1 ZINC000881911544 663009484 /nfs/dbraw/zinc/00/94/84/663009484.db2.gz ILVJTSHVMDANRM-VOIUYBSRSA-N 1 0 391.603 2.612 20 0 GFADRO Brc1nnc2ccc(N3CCC[C@@H](C[NH+]4CCCCCC4)C3)nn12 ZINC000881916174 663009713 /nfs/dbraw/zinc/00/97/13/663009713.db2.gz XLHGSDQCNPDRMI-AWEZNQCLSA-N 1 0 393.333 2.979 20 0 GFADRO C[N@@H+]1CCC[C@H]2CN(S(=O)(=O)c3cnc(Cl)cc3C(F)(F)F)CC[C@H]21 ZINC000881994530 663012703 /nfs/dbraw/zinc/01/27/03/663012703.db2.gz AZUDVPPRYDIXFP-CMPLNLGQSA-N 1 0 397.850 2.859 20 0 GFADRO C[C@H]1CN(S(=O)(=O)C[C@@]2(C)CC2(Cl)Cl)CCN1c1cc[nH+]cc1 ZINC000882619839 663033470 /nfs/dbraw/zinc/03/34/70/663033470.db2.gz WDLQNSLKSKHINN-GXTWGEPZSA-N 1 0 378.325 2.506 20 0 GFADRO COc1cc(OC)c(S(=O)(=O)N2CCC(C)([NH+]3CCC3)CC2)cc1Cl ZINC000882767388 663041040 /nfs/dbraw/zinc/04/10/40/663041040.db2.gz MBSGNWWDNLARGL-UHFFFAOYSA-N 1 0 388.917 2.606 20 0 GFADRO COc1cc(S(=O)(=O)N(C)CCCC[NH+]2CCCCC2)cnc1Cl ZINC000882798674 663042659 /nfs/dbraw/zinc/04/26/59/663042659.db2.gz YWDGEWWMZSAHIF-UHFFFAOYSA-N 1 0 375.922 2.630 20 0 GFADRO Cn1ncc2cc(C[NH2+][C@@]3(c4ccc(Br)cc4)C[C@@H](O)C3)cnc21 ZINC000883232952 663051740 /nfs/dbraw/zinc/05/17/40/663051740.db2.gz WOEMGWCDYGWHST-MAEOIBBWSA-N 1 0 387.281 2.871 20 0 GFADRO C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]CC[C@H]1CCCS1(=O)=O ZINC000883306285 663053273 /nfs/dbraw/zinc/05/32/73/663053273.db2.gz RQWCENXTQKMQTK-GOEBONIOSA-N 1 0 386.945 2.634 20 0 GFADRO [NH3+]Cc1nc2c(s1)CCN(S(=O)(=O)c1ccc(C(F)(F)F)c(F)c1)C2 ZINC000883481040 663055921 /nfs/dbraw/zinc/05/59/21/663055921.db2.gz VTYAMJSLMMCXKG-UHFFFAOYSA-N 1 0 395.403 2.507 20 0 GFADRO Cc1ccc(Cl)c(S(=O)(=O)N2CCc3sc(C[NH3+])nc3C2)c1Cl ZINC000883481486 663056055 /nfs/dbraw/zinc/05/60/55/663056055.db2.gz NEUOMJQOINDBPE-UHFFFAOYSA-N 1 0 392.333 2.964 20 0 GFADRO CCC1([NH3+])CCN(S(=O)(=O)Cc2cc(F)ccc2Br)CC1 ZINC000883482836 663056090 /nfs/dbraw/zinc/05/60/90/663056090.db2.gz LEDCBIYEWGVISU-UHFFFAOYSA-N 1 0 379.295 2.621 20 0 GFADRO C[NH2+]C[C@H]1CCCCN1C(=O)Nc1cccc(C(=O)OC)c1Br ZINC000883560235 663057113 /nfs/dbraw/zinc/05/71/13/663057113.db2.gz XDYKPKQVKVCAHV-LLVKDONJSA-N 1 0 384.274 2.842 20 0 GFADRO C[NH2+]Cc1ccc(NC(=O)C(=O)NCCc2sccc2Br)cc1 ZINC000883630295 663058450 /nfs/dbraw/zinc/05/84/50/663058450.db2.gz QQYNCJXMULDZTQ-UHFFFAOYSA-N 1 0 396.310 2.527 20 0 GFADRO O=C(Nc1cc(Br)ccc1F)c1ccnc(N2CC[NH2+]CC2)c1 ZINC000884069969 663064492 /nfs/dbraw/zinc/06/44/92/663064492.db2.gz VBAFPLAQZRRVFQ-UHFFFAOYSA-N 1 0 379.233 2.645 20 0 GFADRO [NH3+][C@@H](CC1CC1)C(=O)N1CCC(C(=O)Nc2ccccc2Br)CC1 ZINC000884119266 663065527 /nfs/dbraw/zinc/06/55/27/663065527.db2.gz HHWHJZHAGWZUIJ-HNNXBMFYSA-N 1 0 394.313 2.754 20 0 GFADRO CO[C@@H](C)c1nc(CNC(=O)[C@@H]([NH3+])c2ccc(Br)cc2)cs1 ZINC000884232509 663067368 /nfs/dbraw/zinc/06/73/68/663067368.db2.gz UDAPAIJACITAMY-ZANVPECISA-N 1 0 384.299 2.929 20 0 GFADRO COCC[C@@H]([NH3+])C(=O)N[C@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC000884435524 663070804 /nfs/dbraw/zinc/07/08/04/663070804.db2.gz APXYUEACSXQCEJ-HIFRSBDPSA-N 1 0 380.286 2.788 20 0 GFADRO Cc1cc(Br)ccc1CS(=O)(=O)NC1CC[NH+](C2CC2)CC1 ZINC000884904516 663077836 /nfs/dbraw/zinc/07/78/36/663077836.db2.gz MQMKRVJRMGFTAG-UHFFFAOYSA-N 1 0 387.343 2.804 20 0 GFADRO COc1ccc(S(=O)(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c(Cl)c1Cl ZINC000884953167 663079461 /nfs/dbraw/zinc/07/94/61/663079461.db2.gz UYPPBUDVHXXXIY-MNOVXSKESA-N 1 0 379.309 2.907 20 0 GFADRO O=C(NC[C@@H]1CC[N@@H+]1C1CCOCC1)C1(c2ccc(Br)cc2)CC1 ZINC000885861556 663099415 /nfs/dbraw/zinc/09/94/15/663099415.db2.gz XNTNAXXCPXGNMO-KRWDZBQOSA-N 1 0 393.325 2.850 20 0 GFADRO O=C(CCc1ccc(Br)cc1F)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000885866515 663099552 /nfs/dbraw/zinc/09/95/52/663099552.db2.gz XWRJSVLAHGMPPK-INIZCTEOSA-N 1 0 399.304 2.890 20 0 GFADRO Cc1ccc(CC(=O)NC[C@H]2CC[N@@H+]2C2CCOCC2)cc1Br ZINC000885880529 663100178 /nfs/dbraw/zinc/10/01/78/663100178.db2.gz SNUNDYISUWVCIM-MRXNPFEDSA-N 1 0 381.314 2.670 20 0 GFADRO Cc1c(Br)ccc(C(=O)NC[C@H]2CC[N@@H+]2C2CCOCC2)c1F ZINC000885883291 663100425 /nfs/dbraw/zinc/10/04/25/663100425.db2.gz QIKASRKNKJHJLU-CYBMUJFWSA-N 1 0 385.277 2.880 20 0 GFADRO O=S(=O)(NC1CC[NH+](C[C@H]2CCC3(CCC3)CO2)CC1)c1cccs1 ZINC000885936039 663101745 /nfs/dbraw/zinc/10/17/45/663101745.db2.gz ZWNSEVSYWMZVIM-MRXNPFEDSA-N 1 0 384.567 2.840 20 0 GFADRO O=C(NCCO)C1CC[NH+](Cc2cc(Br)c3ccccc3c2)CC1 ZINC000885965706 663102038 /nfs/dbraw/zinc/10/20/38/663102038.db2.gz SOAWMQBPTUZDQH-UHFFFAOYSA-N 1 0 391.309 2.923 20 0 GFADRO C[C@](O)(C[N@@H+]1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1)C(F)F ZINC000886051996 663102805 /nfs/dbraw/zinc/10/28/05/663102805.db2.gz IVZBILKAMSFCKP-BONVTDFDSA-N 1 0 392.244 2.511 20 0 GFADRO Cc1nn(-c2cccc(Br)c2)cc1C[NH2+][C@@H](CO)C[C@@H]1CCCO1 ZINC000886220090 663105183 /nfs/dbraw/zinc/10/51/83/663105183.db2.gz BQMDWYFKLJGRIL-AEFFLSMTSA-N 1 0 394.313 2.963 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+][C@@H](CO)C[C@H]1CCCO1 ZINC000886225758 663105276 /nfs/dbraw/zinc/10/52/76/663105276.db2.gz BKJXBIYEFQICFH-SJLPKXTDSA-N 1 0 394.313 2.963 20 0 GFADRO O[C@@H]1CC[C@@H]([NH2+]Cc2cc(Br)cc(Br)c2)CC[C@@H]1O ZINC000886262673 663106495 /nfs/dbraw/zinc/10/64/95/663106495.db2.gz XSBRBGCYURYGLB-ZSOGYDGISA-N 1 0 393.119 2.966 20 0 GFADRO COc1ccc(NC(=O)CC[N@@H+]2CC[C@](CO)(C(F)(F)F)C2)cc1Cl ZINC000886805776 663119271 /nfs/dbraw/zinc/11/92/71/663119271.db2.gz JPXJUVBPZFROAB-HNNXBMFYSA-N 1 0 380.794 2.924 20 0 GFADRO CN(Cc1cc(Br)cs1)C(=O)C[N@@H+]1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000886830566 663120862 /nfs/dbraw/zinc/12/08/62/663120862.db2.gz UBCVQWBFJYCRAW-DOMZBBRYSA-N 1 0 387.343 2.970 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)NC2(c3ncc(Br)cn3)CCC2)C1 ZINC000886840567 663121999 /nfs/dbraw/zinc/12/19/99/663121999.db2.gz ICYKYHBOMUTBNQ-MRXNPFEDSA-N 1 0 399.308 2.947 20 0 GFADRO NC(=O)[C@H](c1ccc(Br)cc1F)N1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886871754 663123311 /nfs/dbraw/zinc/12/33/11/663123311.db2.gz ACKQZJMKSATEEU-RDJZCZTQSA-N 1 0 384.293 2.580 20 0 GFADRO COC[C@@H]([NH2+]CC(=O)N(C)Cc1ccc(Cl)c(Cl)c1)[C@H]1CCCOC1 ZINC000886903626 663124278 /nfs/dbraw/zinc/12/42/78/663124278.db2.gz CVKDFRMNPLANCW-WMLDXEAASA-N 1 0 389.323 2.983 20 0 GFADRO COC[C@H]([NH2+][C@H](C)C(=O)Nc1cccc(Br)c1)[C@@H]1CCCOC1 ZINC000886908771 663124552 /nfs/dbraw/zinc/12/45/52/663124552.db2.gz YVZVIVWEGYLMCK-IOASZLSFSA-N 1 0 385.302 2.807 20 0 GFADRO COC[C@@H]([NH2+]CC(=O)N(C)Cc1cc(Cl)cc(Cl)c1)[C@H]1CCCOC1 ZINC000886910844 663124581 /nfs/dbraw/zinc/12/45/81/663124581.db2.gz WPKMJSZFWJCPMD-WMLDXEAASA-N 1 0 389.323 2.983 20 0 GFADRO COC[C@@H]([NH2+]CCC(=O)Nc1cccc(Br)c1)[C@@H]1CCCOC1 ZINC000886913534 663124710 /nfs/dbraw/zinc/12/47/10/663124710.db2.gz DSFINCXEYGAIJZ-CZUORRHYSA-N 1 0 385.302 2.809 20 0 GFADRO COC[C@H]([NH2+]CCC(=O)Nc1ccccc1Br)[C@@H]1CCCOC1 ZINC000886912641 663124780 /nfs/dbraw/zinc/12/47/80/663124780.db2.gz ZLFGBMSKBMBYLI-CJNGLKHVSA-N 1 0 385.302 2.809 20 0 GFADRO COC[C@H]([NH2+]C[C@@H](O)c1ccc(F)c(Br)c1)[C@@H]1CCCOC1 ZINC000886915386 663124965 /nfs/dbraw/zinc/12/49/65/663124965.db2.gz CZMSBDHYVHDNPQ-UHOFOFEASA-N 1 0 376.266 2.653 20 0 GFADRO COC[C@H]([NH2+]Cc1ccc(C(=O)OC)cc1Br)[C@@H]1CCCOC1 ZINC000886916318 663124989 /nfs/dbraw/zinc/12/49/89/663124989.db2.gz RZGBPSGDBSHEBK-ZBFHGGJFSA-N 1 0 386.286 2.767 20 0 GFADRO O=C(NC[C@H]1C[NH2+]CCC1(F)F)Nc1ccc(I)cc1 ZINC000886926235 663125149 /nfs/dbraw/zinc/12/51/49/663125149.db2.gz FUOOVISLEKSFIU-SECBINFHSA-N 1 0 395.191 2.658 20 0 GFADRO O=C(NC[C@@H]1C[NH2+]CCC1(F)F)Nc1cc2c(cc1Cl)OCCCO2 ZINC000886928850 663125164 /nfs/dbraw/zinc/12/51/64/663125164.db2.gz SXYFGGDVQGYGDL-JTQLQIEISA-N 1 0 375.803 2.868 20 0 GFADRO CC[NH2+][C@H](C)CNC(=O)C(=O)Nc1cc(Br)c2ccccc2c1 ZINC000886984106 663127359 /nfs/dbraw/zinc/12/73/59/663127359.db2.gz QVUVFUWZCHWUHK-LLVKDONJSA-N 1 0 378.270 2.655 20 0 GFADRO COC[C@@H]([NH3+])Cc1cn(Cc2cc(Br)c3ccccc3c2)nn1 ZINC000887463062 663147473 /nfs/dbraw/zinc/14/74/73/663147473.db2.gz NYIMLWHSFZYHTM-AWEZNQCLSA-N 1 0 375.270 2.758 20 0 GFADRO CC[C@](O)(CCC(F)(F)F)CNC(=O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000887510452 663150296 /nfs/dbraw/zinc/15/02/96/663150296.db2.gz HUDXRXTWFHRXPG-HOCLYGCPSA-N 1 0 382.492 2.804 20 0 GFADRO CCC1([NH+]2CCC2)CCN(C(=O)Nc2cc(Br)c(=O)n(C)c2)CC1 ZINC000887885963 663167425 /nfs/dbraw/zinc/16/74/25/663167425.db2.gz ZWIHTYLJVZKOJD-UHFFFAOYSA-N 1 0 397.317 2.630 20 0 GFADRO C[C@H]1C[C@@H](C(=O)Nc2ccc(Br)cc2S(C)(=O)=O)CC[N@@H+]1C ZINC000889678640 663255841 /nfs/dbraw/zinc/25/58/41/663255841.db2.gz AOJBSCQKPYDMIM-QWRGUYRKSA-N 1 0 389.315 2.521 20 0 GFADRO Cc1c(Br)ccc(F)c1C(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000889738643 663261586 /nfs/dbraw/zinc/26/15/86/663261586.db2.gz ABSZOKRCMZCTAA-LSDHHAIUSA-N 1 0 385.277 2.568 20 0 GFADRO O=C(c1nc(C2CC2)ncc1Br)N1CCC([NH2+]C2CCC2)CC1 ZINC000889818422 663270241 /nfs/dbraw/zinc/27/02/41/663270241.db2.gz YUCKRFZUMCCCEO-UHFFFAOYSA-N 1 0 379.302 2.863 20 0 GFADRO O=C(c1cc(Br)c2c(c1)OCCO2)N1CCC([NH2+]C2CCC2)CC1 ZINC000889833386 663271096 /nfs/dbraw/zinc/27/10/96/663271096.db2.gz CEUCSSNMFKZIRO-UHFFFAOYSA-N 1 0 395.297 2.967 20 0 GFADRO C[C@H](Cc1ccc(Br)cc1)NC(=O)NC[C@H]1C[NH2+]CCC1(F)F ZINC000891378375 663337859 /nfs/dbraw/zinc/33/78/59/663337859.db2.gz QQHIKWJTEYYCMA-DGCLKSJQSA-N 1 0 390.272 2.924 20 0 GFADRO COc1cc(CNC(=O)N2C3CCC2(C[NH3+])CC3)cc(Br)c1OC ZINC000891465343 663340176 /nfs/dbraw/zinc/34/01/76/663340176.db2.gz MTDSRWTXDHVMOG-UHFFFAOYSA-N 1 0 398.301 2.632 20 0 GFADRO COCCC1(NC(=O)N[C@@H](C)Cc2ccccc2Br)CC[NH2+]CC1 ZINC000891676227 663347012 /nfs/dbraw/zinc/34/70/12/663347012.db2.gz JLHQYGKBQZSMKO-AWEZNQCLSA-N 1 0 398.345 2.838 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)NCCOCc2ccc(Cl)cc2)C[C@H]1C(F)(F)F ZINC000891713165 663348283 /nfs/dbraw/zinc/34/82/83/663348283.db2.gz ZRSSVRPBBORWEH-GXTWGEPZSA-N 1 0 379.810 2.635 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)NCc2ccsc2Br)C[C@H]1C(F)(F)F ZINC000891889113 663354456 /nfs/dbraw/zinc/35/44/56/663354456.db2.gz JULWXSREHVPVLI-DTWKUNHWSA-N 1 0 386.237 2.789 20 0 GFADRO COc1ccc(CN(CCO)Cc2ncc(Br)cc2[O-])c(OC)c1 ZINC000892031892 663359751 /nfs/dbraw/zinc/35/97/51/663359751.db2.gz DDASSZFTQZJKQQ-UHFFFAOYSA-N 1 0 397.269 2.561 20 0 GFADRO O=C(NCCC1CC[NH2+]CC1)N[C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21 ZINC000892232459 663366495 /nfs/dbraw/zinc/36/64/95/663366495.db2.gz MOEXWRCOSPPEFH-HYVNUMGLSA-N 1 0 378.314 2.776 20 0 GFADRO O=C(N[C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000892321202 663369008 /nfs/dbraw/zinc/36/90/08/663369008.db2.gz ANCLJNHHGWXALI-YYESSZKYSA-N 1 0 376.298 2.623 20 0 GFADRO Oc1cc(Br)cnc1C[NH2+]C[C@@H](c1cccs1)N1CCOCC1 ZINC000892433845 663373526 /nfs/dbraw/zinc/37/35/26/663373526.db2.gz CVZAZVNIJOZZGT-AWEZNQCLSA-N 1 0 398.326 2.774 20 0 GFADRO COc1ccc([C@H](C[NH2+]C[C@H]2C[C@]2(C)Br)N2CCOCC2)cc1 ZINC000892439192 663373744 /nfs/dbraw/zinc/37/37/44/663373744.db2.gz TZIOCCXQRYDHAL-NJAFHUGGSA-N 1 0 383.330 2.832 20 0 GFADRO O=C(NCCCOc1ccc(Cl)cc1Cl)NCC[NH+]1CCC(O)CC1 ZINC000892448817 663374027 /nfs/dbraw/zinc/37/40/27/663374027.db2.gz DUHXRWCHECVOFV-UHFFFAOYSA-N 1 0 390.311 2.518 20 0 GFADRO CC1(C)C[NH2+]CC[C@@H](NC(=O)NC[C@@H](O)c2cccc(Br)c2)C1 ZINC000892493463 663375362 /nfs/dbraw/zinc/37/53/62/663375362.db2.gz KDFQRDPMANGAIA-HUUCEWRRSA-N 1 0 384.318 2.560 20 0 GFADRO [NH3+][C@H]1C[C@H](CNC(=O)N2CCc3[nH]c4ccc(Br)cc4c3C2)C1 ZINC000892568517 663377517 /nfs/dbraw/zinc/37/75/17/663377517.db2.gz VLDFILLNQMLOFU-UMSPYCQHSA-N 1 0 377.286 2.735 20 0 GFADRO [NH3+][C@H]1C[C@H](CNC(=O)N2CCC[C@@H](Nc3cccc(Br)c3)C2)C1 ZINC000892571246 663377806 /nfs/dbraw/zinc/37/78/06/663377806.db2.gz XKSLZUNRMKRXBL-XNRPHZJLSA-N 1 0 381.318 2.772 20 0 GFADRO [NH3+][C@H]1C[C@H](CNC(=O)N2CCC(Oc3cccc(Br)c3)CC2)C1 ZINC000892573080 663377810 /nfs/dbraw/zinc/37/78/10/663377810.db2.gz UXBVLVZXUOFTCG-MQMHXKEQSA-N 1 0 382.302 2.739 20 0 GFADRO CC(=O)N1CCN(c2ccccc2C[NH2+]C[C@H]2C[C@@]2(C)Br)CC1 ZINC000892797567 663385093 /nfs/dbraw/zinc/38/50/93/663385093.db2.gz UKSUBRINWVMFNM-SJLPKXTDSA-N 1 0 380.330 2.618 20 0 GFADRO O=C(NCCC[NH2+]Cc1nccn1C1CC1)c1ccc(Br)cc1 ZINC000892815751 663385556 /nfs/dbraw/zinc/38/55/56/663385556.db2.gz JEBYMAPKHRJCGZ-UHFFFAOYSA-N 1 0 377.286 2.890 20 0 GFADRO CN(Cc1ccccc1Br)C(=O)N1CCc2sc(C[NH3+])nc2C1 ZINC000892884951 663388070 /nfs/dbraw/zinc/38/80/70/663388070.db2.gz ODHSRGQRXZHKOM-UHFFFAOYSA-N 1 0 395.326 2.974 20 0 GFADRO CCC1([NH3+])CCN(C(=O)N(C)C[C@@H](O)c2ccccc2Br)CC1 ZINC000892931599 663390130 /nfs/dbraw/zinc/39/01/30/663390130.db2.gz CYUFPHPHONJLRU-OAHLLOKOSA-N 1 0 384.318 2.738 20 0 GFADRO C[NH+](C)[C@@H]1CCN(c2ccc(NCc3ncc(Br)cc3O)nc2)C1 ZINC000893205052 663401629 /nfs/dbraw/zinc/40/16/29/663401629.db2.gz HDRMIYWFRNIPOS-CQSZACIVSA-N 1 0 392.301 2.697 20 0 GFADRO CC(C)(C)OC(=O)Nc1ccsc1C[NH2+]C[C@H]1CCCN1S(C)(=O)=O ZINC000893225050 663402559 /nfs/dbraw/zinc/40/25/59/663402559.db2.gz IPKKJWQSUCAGDG-GFCCVEGCSA-N 1 0 389.543 2.609 20 0 GFADRO C[C@H]([NH2+][C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)[C@@H]1CCS(=O)(=O)C1 ZINC000893397698 663409713 /nfs/dbraw/zinc/40/97/13/663409713.db2.gz DACOOUYEWCCUHF-RWSFTLGLSA-N 1 0 391.320 2.512 20 0 GFADRO CC(C)[NH2+][C@@H]1CCCN(C(=O)C[C@H]2C(=O)Nc3ccc(Br)cc32)C1 ZINC000893797573 663425110 /nfs/dbraw/zinc/42/51/10/663425110.db2.gz DXRIBIJXFVAANC-UKRRQHHQSA-N 1 0 394.313 2.864 20 0 GFADRO CC(C)[NH2+][C@H]1CCCN(C(=O)C(F)(F)c2ncccc2Br)C1 ZINC000893801817 663425540 /nfs/dbraw/zinc/42/55/40/663425540.db2.gz VHVIIIOFDPBGMC-NSHDSACASA-N 1 0 376.245 2.925 20 0 GFADRO CC(=O)Nc1cc(Br)ccc1CN1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000893878410 663429542 /nfs/dbraw/zinc/42/95/42/663429542.db2.gz QXFOALOEKFOWCG-CYBMUJFWSA-N 1 0 398.345 2.685 20 0 GFADRO CO[C@@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000893996746 663435957 /nfs/dbraw/zinc/43/59/57/663435957.db2.gz AMCWXKQCKAQPAT-JJAZEVLHSA-N 1 0 396.329 2.728 20 0 GFADRO C[C@H]([NH2+]Cc1cnn(-c2ccc(Br)cc2)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000894070178 663440706 /nfs/dbraw/zinc/44/07/06/663440706.db2.gz JBAGZNXADSOZNR-GXTWGEPZSA-N 1 0 398.326 2.548 20 0 GFADRO Cn1cc(C[NH2+]CCc2cccc3cccnc32)c(I)n1 ZINC000894168298 663446629 /nfs/dbraw/zinc/44/66/29/663446629.db2.gz XLCWCEUDTDWECQ-UHFFFAOYSA-N 1 0 392.244 2.905 20 0 GFADRO Clc1nc(N2CCOCC2)sc1C[NH2+]CCn1cnc2ccccc21 ZINC000894206098 663448517 /nfs/dbraw/zinc/44/85/17/663448517.db2.gz CRAYXAREPLXDJL-UHFFFAOYSA-N 1 0 377.901 2.773 20 0 GFADRO COc1ccccc1C1(C[NH2+]Cc2c(I)cnn2C)CC1 ZINC000894211954 663449180 /nfs/dbraw/zinc/44/91/80/663449180.db2.gz VJGJYUTVPDMQTA-UHFFFAOYSA-N 1 0 397.260 2.855 20 0 GFADRO Cn1nc(Br)nc1CN[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000894218988 663449448 /nfs/dbraw/zinc/44/94/48/663449448.db2.gz DHPMDKRCIPGDCO-OAHLLOKOSA-N 1 0 378.318 2.894 20 0 GFADRO Cn1cc(C[NH2+]C[C@H]2CCOc3ccccc32)c(I)n1 ZINC000894249895 663450823 /nfs/dbraw/zinc/45/08/23/663450823.db2.gz AUAFDPKYFIUMPJ-LLVKDONJSA-N 1 0 383.233 2.681 20 0 GFADRO Cn1ncc(I)c1C[NH2+]C[C@H]1CCCO[C@H]1C(C)(C)C ZINC000894259659 663451468 /nfs/dbraw/zinc/45/14/68/663451468.db2.gz GARHCAWZCAUGAO-BXUZGUMPSA-N 1 0 391.297 2.956 20 0 GFADRO COc1cc(Br)ccc1CNC(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2C ZINC000894306046 663453306 /nfs/dbraw/zinc/45/33/06/663453306.db2.gz JECBOGPYGAVNSX-GJZGRUSLSA-N 1 0 382.302 2.836 20 0 GFADRO CN1C(=O)N[C@]2(CCC[C@@H]2C[NH2+]Cc2cc3ccnc(Cl)c3s2)C1=O ZINC000894317225 663453980 /nfs/dbraw/zinc/45/39/80/663453980.db2.gz KSKYTNIHIQWDOV-DIFFPNOSSA-N 1 0 378.885 2.760 20 0 GFADRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCc1nc(Br)nn1C ZINC000894317116 663454046 /nfs/dbraw/zinc/45/40/46/663454046.db2.gz QKWGTOVXWMKHNG-UKRRQHHQSA-N 1 0 378.318 2.578 20 0 GFADRO Cn1nc(Br)nc1C[NH2+][C@@H]1CCN(C)[C@H]1c1ccc(Cl)cc1 ZINC000894362677 663458093 /nfs/dbraw/zinc/45/80/93/663458093.db2.gz XVUXMFRYPZXWES-OCCSQVGLSA-N 1 0 384.709 2.766 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(c3ncnc4c3c(Br)nn4C(C)(C)C)C[C@@H]2C1 ZINC000894373968 663458685 /nfs/dbraw/zinc/45/86/85/663458685.db2.gz YWRKDHZXUNGPDK-NEPJUHHUSA-N 1 0 393.333 2.732 20 0 GFADRO C[C@H](C[NH2+]Cc1sc(N2CCOCC2)nc1Cl)NC(=O)OC(C)(C)C ZINC000894600808 663471043 /nfs/dbraw/zinc/47/10/43/663471043.db2.gz NIRGINPPGRGQOE-LLVKDONJSA-N 1 0 390.937 2.636 20 0 GFADRO COc1ccc(C[NH2+]C[C@H](CO)Cc2cc(Br)ccc2F)nc1 ZINC000894749668 663479374 /nfs/dbraw/zinc/47/93/74/663479374.db2.gz BQBWIQRAVKYWSG-GFCCVEGCSA-N 1 0 383.261 2.933 20 0 GFADRO CCCN1C[C@@H](C[NH2+]Cc2ccc(Br)cc2NC(C)=O)CC1=O ZINC000894967104 663492387 /nfs/dbraw/zinc/49/23/87/663492387.db2.gz JPXXNIYNURKGRG-CYBMUJFWSA-N 1 0 382.302 2.756 20 0 GFADRO Clc1nccc2cc(C[NH2+]CC3(N4CCOCC4)CCOCC3)sc21 ZINC000894982881 663493376 /nfs/dbraw/zinc/49/33/76/663493376.db2.gz KFIMCACREMCZEL-UHFFFAOYSA-N 1 0 381.929 2.921 20 0 GFADRO NC(=O)[C@@]1(c2ccccc2)CC[N@H+](Cc2cnc3ccc(Br)cn23)C1 ZINC000895000943 663494146 /nfs/dbraw/zinc/49/41/46/663494146.db2.gz MCXVPCPPNXKVOV-IBGZPJMESA-N 1 0 399.292 2.726 20 0 GFADRO Brc1c[nH]c(CN2CCO[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]32)n1 ZINC000895152465 663501150 /nfs/dbraw/zinc/50/11/50/663501150.db2.gz MZUJEDLRJIQZCI-HZPDHXFCSA-N 1 0 391.313 2.648 20 0 GFADRO Cn1ncc(I)c1C[NH2+]C[C@H]1CCC2(CCCC2)O1 ZINC000895190495 663502499 /nfs/dbraw/zinc/50/24/99/663502499.db2.gz RQDKCHNSTORMPC-LLVKDONJSA-N 1 0 375.254 2.606 20 0 GFADRO C[C@H](Nc1ncnc2cc(F)c(Br)cc21)[C@@H]1C[N@H+](C)CCN1C ZINC000895248051 663504848 /nfs/dbraw/zinc/50/48/48/663504848.db2.gz YEECSTNXPGHDAS-BONVTDFDSA-N 1 0 382.281 2.578 20 0 GFADRO Cn1ncc(I)c1C[NH2+]CCc1ccnc2ccccc12 ZINC000895247392 663504892 /nfs/dbraw/zinc/50/48/92/663504892.db2.gz BVTOVLIIUMOMTC-UHFFFAOYSA-N 1 0 392.244 2.905 20 0 GFADRO CCOC(=O)[C@@H]1CC[C@H]([NH2+]CC[S@](=O)CC(F)(F)F)C[C@H]1C(F)(F)F ZINC000895312969 663507704 /nfs/dbraw/zinc/50/77/04/663507704.db2.gz AVEDRMPMQBWMLC-XBCNVHRXSA-N 1 0 397.381 2.797 20 0 GFADRO FC(F)(F)Cc1ncc(C[NH2+][C@@H]2C[C@@H](N3CCOCC3)C23CCC3)s1 ZINC000895436522 663514038 /nfs/dbraw/zinc/51/40/38/663514038.db2.gz DURCXPXQFLHVSC-ZIAGYGMSSA-N 1 0 375.460 2.981 20 0 GFADRO C[C@H]([NH2+][C@@H](CO)c1cccc(Cl)c1Cl)C1CCN(S(C)(=O)=O)CC1 ZINC000895448924 663514797 /nfs/dbraw/zinc/51/47/97/663514797.db2.gz MHBFBIIORFEEBF-NHYWBVRUSA-N 1 0 395.352 2.677 20 0 GFADRO Cn1cc(C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)c(Br)n1 ZINC000895466962 663516027 /nfs/dbraw/zinc/51/60/27/663516027.db2.gz JHKDCPKSWJLXOV-GFCCVEGCSA-N 1 0 383.315 2.811 20 0 GFADRO CN(Cc1cc(Br)ccc1F)C(=O)C1C[NH+](C2CCOCC2)C1 ZINC000895636867 663521649 /nfs/dbraw/zinc/52/16/49/663521649.db2.gz BFLMVWJSFDYNDX-UHFFFAOYSA-N 1 0 385.277 2.657 20 0 GFADRO CC[C@@H](CO)Nc1cc(N2CCC[C@@H]2c2ncc(Br)cn2)ncn1 ZINC000895712068 663524791 /nfs/dbraw/zinc/52/47/91/663524791.db2.gz XZIBWOPVGPJPQX-QWHCGFSZSA-N 1 0 393.289 2.553 20 0 GFADRO O=C1NCC2(CCOCC2)[C@H]1[NH2+]CC1=Cc2cc(Cl)cc(Cl)c2OC1 ZINC000895772716 663527240 /nfs/dbraw/zinc/52/72/40/663527240.db2.gz JPHGNFGLDPRSOY-INIZCTEOSA-N 1 0 383.275 2.654 20 0 GFADRO CO[C@@H](C[NH2+]Cc1ccn(-c2ccc(Br)cc2)n1)[C@@H]1CCOC1 ZINC000895805043 663528302 /nfs/dbraw/zinc/52/83/02/663528302.db2.gz QGSJEHBFXVQODH-DYVFJYSZSA-N 1 0 380.286 2.776 20 0 GFADRO OCCOCC1(O)CC[NH+](Cc2cnc(-c3ccc(Cl)cc3)s2)CC1 ZINC000895829200 663529212 /nfs/dbraw/zinc/52/92/12/663529212.db2.gz IGFBXICSFDSKLU-UHFFFAOYSA-N 1 0 382.913 2.799 20 0 GFADRO Cc1[nH]nc(I)c1C(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000896139258 663542350 /nfs/dbraw/zinc/54/23/50/663542350.db2.gz DUYBMRWLSUCXOK-UHFFFAOYSA-N 1 0 398.248 2.679 20 0 GFADRO C[C@@H](NC(=O)C1C[NH+](C2CCOCC2)C1)c1ccc(F)c(Br)c1 ZINC000896264041 663547795 /nfs/dbraw/zinc/54/77/95/663547795.db2.gz ATALCGVUJKCXDY-LLVKDONJSA-N 1 0 385.277 2.876 20 0 GFADRO CC(C)(C)OC(=O)NC1CCN(CC[NH2+]C[C@@H]2C[C@@]2(C)Br)CC1 ZINC000896344847 663552097 /nfs/dbraw/zinc/55/20/97/663552097.db2.gz PKNNDJBUNNDZDR-SUMWQHHRSA-N 1 0 390.366 2.739 20 0 GFADRO C[C@@H](NC(=O)c1cc(Cl)c(F)cc1Br)[C@@H]1C[N@H+](C)CCN1C ZINC000896540168 663562522 /nfs/dbraw/zinc/56/25/22/663562522.db2.gz VEIVOZUPMJBYOF-OTYXRUKQSA-N 1 0 392.700 2.606 20 0 GFADRO C[C@@H](NC(=O)c1csc(-c2ccccc2Cl)n1)[C@@H]1C[N@H+](C)CCN1C ZINC000896564358 663564366 /nfs/dbraw/zinc/56/43/66/663564366.db2.gz PQYNIVDQXVLOPN-WBMJQRKESA-N 1 0 378.929 2.828 20 0 GFADRO CO[C@]1(C[NH2+]CC(C)(C)c2ccc(Br)cc2)CCS(=O)(=O)C1 ZINC000896679374 663571361 /nfs/dbraw/zinc/57/13/61/663571361.db2.gz GFBMPVMKEGSVNG-INIZCTEOSA-N 1 0 390.343 2.520 20 0 GFADRO COC(=O)c1ccc(Cl)c(C[NH2+]CCc2ccccc2S(C)(=O)=O)c1 ZINC000896814530 663578190 /nfs/dbraw/zinc/57/81/90/663578190.db2.gz SJNSANRIEUOHIU-UHFFFAOYSA-N 1 0 381.881 2.862 20 0 GFADRO CCOC(=O)c1ncc(C[NH2+]CC2(n3cc(Br)cn3)CC2)s1 ZINC000896912083 663581496 /nfs/dbraw/zinc/58/14/96/663581496.db2.gz RANARCZKYAZNRH-UHFFFAOYSA-N 1 0 385.287 2.558 20 0 GFADRO C[C@@H](Cc1ccc(F)c(Br)c1)NC(=O)C1C[NH+](C2CCOCC2)C1 ZINC000897018405 663586781 /nfs/dbraw/zinc/58/67/81/663586781.db2.gz XGAVYGVKAVYZQW-LBPRGKRZSA-N 1 0 399.304 2.746 20 0 GFADRO CSc1cc(Br)ccc1C[NH+]1CCC2(CC1)C[C@@H](O)CNC2=O ZINC000897042731 663587979 /nfs/dbraw/zinc/58/79/79/663587979.db2.gz OWTNRYYZJVNNSL-CQSZACIVSA-N 1 0 399.354 2.634 20 0 GFADRO CCn1c(CNC(=O)[C@@]23CC[N@H+](C2)CCC3)nc2cc(Br)ccc21 ZINC000897554492 663609859 /nfs/dbraw/zinc/60/98/59/663609859.db2.gz FFNDWSMYDWNUNR-SFHVURJKSA-N 1 0 391.313 2.921 20 0 GFADRO CCOC(=O)C1([C@@H](C)[NH2+]Cc2c(F)cncc2Br)CCOCC1 ZINC000897740494 663617848 /nfs/dbraw/zinc/61/78/48/663617848.db2.gz ABCXXHWXNMAHOZ-LLVKDONJSA-N 1 0 389.265 2.821 20 0 GFADRO CCOC(=O)COc1c(Br)cc(C)cc1C[NH2+][C@H]1CC12CC(O)C2 ZINC000897848311 663622431 /nfs/dbraw/zinc/62/24/31/663622431.db2.gz KFWUFTLSIPQGHB-DBQDNQAGSA-N 1 0 398.297 2.702 20 0 GFADRO COc1ccc(Br)cc1C[NH2+]C[C@]1(c2cnn(C)c2)CCCO1 ZINC000898062833 663631828 /nfs/dbraw/zinc/63/18/28/663631828.db2.gz XZURVKSAHCWGSS-KRWDZBQOSA-N 1 0 380.286 2.987 20 0 GFADRO COc1ccc(Br)cc1C[NH2+]C[C@@]1(c2cnn(C)c2)CCCO1 ZINC000898062835 663631883 /nfs/dbraw/zinc/63/18/83/663631883.db2.gz XZURVKSAHCWGSS-QGZVFWFLSA-N 1 0 380.286 2.987 20 0 GFADRO Cc1ccc(C(=O)N2CCC(CO)([NH2+]CC3CC3)CC2)cc1Br ZINC000898117429 663634580 /nfs/dbraw/zinc/63/45/80/663634580.db2.gz BWKBEGIAWOWJBF-UHFFFAOYSA-N 1 0 381.314 2.724 20 0 GFADRO CCn1c(C[NH2+]CC[C@@H](O)C2CC2)nc(Br)c1Br ZINC000898200338 663638204 /nfs/dbraw/zinc/63/82/04/663638204.db2.gz WHZFNIBXEKTRIV-SECBINFHSA-N 1 0 381.112 2.679 20 0 GFADRO Cc1cn2c(nc(C)c2C[NH2+]Cc2cccc(N(C)S(C)(=O)=O)c2)s1 ZINC000898287603 663642109 /nfs/dbraw/zinc/64/21/09/663642109.db2.gz ZGZAKXMYKPIZRQ-UHFFFAOYSA-N 1 0 378.523 2.698 20 0 GFADRO Brc1ccc(C[NH2+][C@@H]2COC[C@@H]2C2CC2)c(N2CCOCC2)c1 ZINC000898382340 663646253 /nfs/dbraw/zinc/64/62/53/663646253.db2.gz WDEKGKTYDKEAAZ-IAGOWNOFSA-N 1 0 381.314 2.800 20 0 GFADRO CN(C)[S@](C)(=O)=NCC1CC[NH+](Cc2cc(-n3ccnc3)cs2)CC1 ZINC000898398131 663648132 /nfs/dbraw/zinc/64/81/32/663648132.db2.gz GKDABMHARNDXBP-RUZDIDTESA-N 1 0 381.571 2.720 20 0 GFADRO O=C(Cc1ccc(Br)c(F)c1)NC1CC[NH+](C2CCOCC2)CC1 ZINC000898634180 663658617 /nfs/dbraw/zinc/65/86/17/663658617.db2.gz KQHGZROWMBINGI-UHFFFAOYSA-N 1 0 399.304 2.890 20 0 GFADRO Brc1cnc2n1C[C@H]([NH2+]Cc1cccnc1Br)CC2 ZINC000898719129 663660346 /nfs/dbraw/zinc/66/03/46/663660346.db2.gz BOYXCRHETSOGFV-SNVBAGLBSA-N 1 0 386.091 2.908 20 0 GFADRO CC(C)(C)OC(=O)NCC1CC([NH2+][C@@H]2CCc3ncc(Br)n3C2)C1 ZINC000898720923 663660575 /nfs/dbraw/zinc/66/05/75/663660575.db2.gz OJPLAESZACPEOG-OTTFEQOBSA-N 1 0 399.333 2.853 20 0 GFADRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+][C@@H]2CCc3ncc(Br)n3C2)C1 ZINC000898723315 663660796 /nfs/dbraw/zinc/66/07/96/663660796.db2.gz DRZIWLYRFMAAHL-NEPJUHHUSA-N 1 0 385.306 2.559 20 0 GFADRO C[C@@H](CC(=O)N(C)c1ccccc1)[NH2+][C@@H]1CCc2ncc(Br)n2C1 ZINC000898724216 663661269 /nfs/dbraw/zinc/66/12/69/663661269.db2.gz MBDIDOHBXOLNPA-UONOGXRCSA-N 1 0 391.313 2.992 20 0 GFADRO CC(C)(CNC(=O)c1cc(I)ccc1F)n1ccnc1 ZINC000898904150 663669077 /nfs/dbraw/zinc/66/90/77/663669077.db2.gz CDDVJXWBRGICGI-UHFFFAOYSA-N 1 0 387.196 2.792 20 0 GFADRO CC1([NH+]2CCCC2)CCN(C(=O)c2nn3c(c2Br)CCC3)CC1 ZINC000899157725 663678073 /nfs/dbraw/zinc/67/80/73/663678073.db2.gz LNUBCKBRCLDWDE-UHFFFAOYSA-N 1 0 381.318 2.682 20 0 GFADRO O=C1c2ccc(Br)cc2S(=O)(=O)N1CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000899630813 663696713 /nfs/dbraw/zinc/69/67/13/663696713.db2.gz ZPCMBLWLPOTNRI-VGPLMAKISA-N 1 0 399.310 2.514 20 0 GFADRO COc1cc(Br)cc(C(=O)N2CCC[C@H]([NH2+]C3CCOCC3)C2)c1 ZINC000899927493 663702813 /nfs/dbraw/zinc/70/28/13/663702813.db2.gz RCFVCYCGZGFAJU-INIZCTEOSA-N 1 0 397.313 2.831 20 0 GFADRO CC(C)[NH+]1CCN(CCC(=O)NCCc2ccc(Br)s2)CC1 ZINC000900055116 663707172 /nfs/dbraw/zinc/70/71/72/663707172.db2.gz IHUJVJKZJGKTNT-UHFFFAOYSA-N 1 0 388.375 2.585 20 0 GFADRO C[NH+](C)Cc1cccc(CNC(=O)[C@H](O)c2cccc(Br)c2)c1 ZINC000900087464 663707958 /nfs/dbraw/zinc/70/79/58/663707958.db2.gz NCMLADUBKJBOPL-QGZVFWFLSA-N 1 0 377.282 2.861 20 0 GFADRO C[N@@H+]1CCC[C@](O)(CC(=O)N2CCC[C@H]2c2cccc(Br)c2)C1 ZINC000900286902 663711657 /nfs/dbraw/zinc/71/16/57/663711657.db2.gz VZJLILOJLULHSF-WMZOPIPTSA-N 1 0 381.314 2.959 20 0 GFADRO C[NH+](C)CCn1nccc1C(=O)N1CCCc2cc(Br)ccc21 ZINC000900299411 663711955 /nfs/dbraw/zinc/71/19/55/663711955.db2.gz RTXQOGXKEYAYAH-UHFFFAOYSA-N 1 0 377.286 2.800 20 0 GFADRO C[N@@H+]1CCC[C@](O)(CC(=O)N2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)C1 ZINC000900529523 663716427 /nfs/dbraw/zinc/71/64/27/663716427.db2.gz WMAFZDHOGGYZMR-AEFFLSMTSA-N 1 0 387.307 2.740 20 0 GFADRO C[C@@H](c1cccc(Br)c1)n1cc(CNC2CC[NH+](C)CC2)nn1 ZINC000900560103 663717038 /nfs/dbraw/zinc/71/70/38/663717038.db2.gz BJBOEROLCKDJFW-ZDUSSCGKSA-N 1 0 378.318 2.834 20 0 GFADRO CCC[C@@H]([NH3+])c1cn(Cc2cc(OC)c(C(=O)OC)cc2Br)nn1 ZINC000900596016 663717762 /nfs/dbraw/zinc/71/77/62/663717762.db2.gz YQGCBMBBNSLQMI-CYBMUJFWSA-N 1 0 397.273 2.684 20 0 GFADRO Cc1cc(Br)ncc1NC(=O)CCCN1CC[NH+](C(C)C)CC1 ZINC000900901704 663723521 /nfs/dbraw/zinc/72/35/21/663723521.db2.gz RHUKVPOMDNAETA-UHFFFAOYSA-N 1 0 383.334 2.897 20 0 GFADRO COC(=O)[C@@H](NC[C@H]1CC[N@@H+]1C1CCOCC1)c1cccc(Br)c1 ZINC000901622765 663739980 /nfs/dbraw/zinc/73/99/80/663739980.db2.gz FXTOUXCIOSLVSF-SJORKVTESA-N 1 0 397.313 2.506 20 0 GFADRO Cc1ccsc1-c1nn(CN2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)c(=S)o1 ZINC000902641949 663765059 /nfs/dbraw/zinc/76/50/59/663765059.db2.gz CQESMRUQOISZPS-KBPBESRZSA-N 1 0 380.539 2.731 20 0 GFADRO C[C@H]([NH2+]C1CCC(C(N)=O)CC1)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000903118943 663774542 /nfs/dbraw/zinc/77/45/42/663774542.db2.gz IYGQCUPVNMJITN-ZBOXLXRLSA-N 1 0 378.416 2.675 20 0 GFADRO Clc1cc(C[NH2+][C@H]2CCO[C@@]23CCOC3)ccc1I ZINC000903167689 663776756 /nfs/dbraw/zinc/77/67/56/663776756.db2.gz OLMRPMRXROMOMD-UONOGXRCSA-N 1 0 393.652 2.982 20 0 GFADRO COc1cccc(NC(=O)C[C@@H](C)[NH2+]Cc2cn(C)nc2Br)c1 ZINC000903188998 663777623 /nfs/dbraw/zinc/77/76/23/663777623.db2.gz MBVYSLXHWZADFO-LLVKDONJSA-N 1 0 381.274 2.698 20 0 GFADRO CN1C[C@H](CC[NH2+][C@@H](c2cccc(Br)c2)[C@H]2CCOC2)CC1=O ZINC000903211927 663778618 /nfs/dbraw/zinc/77/86/18/663778618.db2.gz UWJDIVOVXXIQLW-XUWXXGDYSA-N 1 0 381.314 2.985 20 0 GFADRO C[C@H]([NH2+]CCOC1CCOCC1)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000903225445 663779047 /nfs/dbraw/zinc/77/90/47/663779047.db2.gz GFGOIAPKBMOGAZ-LBPRGKRZSA-N 1 0 381.416 2.826 20 0 GFADRO C[C@H]([NH2+]C[C@@H]1CCCC[C@H]1NS(C)(=O)=O)c1ncc(Br)s1 ZINC000903233561 663779966 /nfs/dbraw/zinc/77/99/66/663779966.db2.gz IMECHMUPHDRLPW-GARJFASQSA-N 1 0 396.376 2.664 20 0 GFADRO C[C@H]([NH2+]C[C@@H]1CCCC[C@@H]1NS(C)(=O)=O)c1ncc(Br)s1 ZINC000903233560 663780075 /nfs/dbraw/zinc/78/00/75/663780075.db2.gz IMECHMUPHDRLPW-DCAQKATOSA-N 1 0 396.376 2.664 20 0 GFADRO C[C@H]([NH2+]C[C@H]1CCCC[C@H]1NS(C)(=O)=O)c1cncc(Br)c1 ZINC000903233600 663780105 /nfs/dbraw/zinc/78/01/05/663780105.db2.gz JCFYQHHJZREXKU-YWPYICTPSA-N 1 0 390.347 2.603 20 0 GFADRO Cc1c([C@@H](C)[NH2+]C2CC(CC(N)=O)C2)nnn1-c1cccc(Br)c1 ZINC000903259682 663780810 /nfs/dbraw/zinc/78/08/10/663780810.db2.gz FVLDQFLTHZZPIT-PWQPVHBWSA-N 1 0 392.301 2.643 20 0 GFADRO CO[C@@]1(C[NH2+][C@@H](C)c2ccc(Br)c(Cl)c2)CCS(=O)(=O)C1 ZINC000903363296 663782692 /nfs/dbraw/zinc/78/26/92/663782692.db2.gz NLRGHGOOHHFJRD-IINYFYTJSA-N 1 0 396.734 2.957 20 0 GFADRO CO[C@@]1(C[NH2+][C@H]2CCCc3ccc(Br)cc32)CCS(=O)(=O)C1 ZINC000903366721 663783056 /nfs/dbraw/zinc/78/30/56/663783056.db2.gz VMELRRPQBAEWAK-JKSUJKDBSA-N 1 0 388.327 2.620 20 0 GFADRO CO[C@@]1(C[NH2+][C@H](C)c2cc(Cl)ccc2OC(F)F)CCS(=O)(=O)C1 ZINC000903368475 663783281 /nfs/dbraw/zinc/78/32/81/663783281.db2.gz NRYYJSSAUHGJEK-MEBBXXQBSA-N 1 0 383.844 2.796 20 0 GFADRO COC(=O)C1CC2(C1)C[C@@H]([NH2+][C@H](C)c1cccc(Cl)c1)CCS2(=O)=O ZINC000903452348 663784992 /nfs/dbraw/zinc/78/49/92/663784992.db2.gz MGKMBDCDPHEDGJ-DRMSGTBHSA-N 1 0 385.913 2.890 20 0 GFADRO COC(=O)C1CC2(C1)C[C@@H]([NH2+][C@@H](C)c1ccccc1Cl)CCS2(=O)=O ZINC000903452815 663785136 /nfs/dbraw/zinc/78/51/36/663785136.db2.gz QWRARZNXUMNVLD-FMHYQEOESA-N 1 0 385.913 2.890 20 0 GFADRO Brc1cccc(Cc2noc(CN[C@H]3CC[NH2+]C34CCC4)n2)c1 ZINC000903472176 663785223 /nfs/dbraw/zinc/78/52/23/663785223.db2.gz XIXFZLNIJLNWKE-AWEZNQCLSA-N 1 0 377.286 2.797 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCc2ncc(Br)n2C1)c1ccccc1-n1ccnn1 ZINC000903477801 663785235 /nfs/dbraw/zinc/78/52/35/663785235.db2.gz COBZIXDGNXHAFT-QWHCGFSZSA-N 1 0 387.285 2.892 20 0 GFADRO C[C@@H]1CN(CC(=O)Nc2c(F)cc(F)cc2Br)C[C@H]1CC[NH3+] ZINC000903495854 663785747 /nfs/dbraw/zinc/78/57/47/663785747.db2.gz ADLBHBADGJDSLQ-NXEZZACHSA-N 1 0 376.245 2.583 20 0 GFADRO O=S(=O)(c1c[nH]c2ncc(Cl)cc12)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000903507792 663785962 /nfs/dbraw/zinc/78/59/62/663785962.db2.gz LESAPBVHVYJHNS-CYBMUJFWSA-N 1 0 382.917 2.617 20 0 GFADRO [NH3+][C@@H]1CN(CCC(=O)Nc2cccc(Br)c2)C[C@H]1C(F)(F)F ZINC000903514786 663786539 /nfs/dbraw/zinc/78/65/39/663786539.db2.gz UYOHRLFSHXVFQQ-VXGBXAGGSA-N 1 0 380.208 2.599 20 0 GFADRO C[C@@H]1C[C@H](NS(=O)(=O)Cc2cccc(Cl)c2Br)CC[NH2+]1 ZINC000903519373 663786905 /nfs/dbraw/zinc/78/69/05/663786905.db2.gz ZTTNWSMCMIWOTJ-MWLCHTKSSA-N 1 0 381.723 2.662 20 0 GFADRO COc1ccc(Cl)cc1NC(=O)[C@H](C)N1CC[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903535276 663787596 /nfs/dbraw/zinc/78/75/96/663787596.db2.gz XBYFFYZERSZYAC-MVWJERBFSA-N 1 0 379.810 2.887 20 0 GFADRO [NH3+][C@@H]1CN(CC(=O)Nc2ccc(Br)cc2F)CC[C@H]1C(F)(F)F ZINC000903535472 663787721 /nfs/dbraw/zinc/78/77/21/663787721.db2.gz ZNGYAVPPRGQHEJ-MWLCHTKSSA-N 1 0 398.198 2.738 20 0 GFADRO [NH3+]CC1([C@H]2CCCCN2S(=O)(=O)c2ccc(C(F)(F)F)cn2)CCC1 ZINC000903546244 663788218 /nfs/dbraw/zinc/78/82/18/663788218.db2.gz KSVDLQIIHXXEGO-CYBMUJFWSA-N 1 0 377.432 2.773 20 0 GFADRO Cc1ccc(Cl)c(S(=O)(=O)N2CC[NH2+]CCC23CCOCC3)c1Cl ZINC000903548203 663788340 /nfs/dbraw/zinc/78/83/40/663788340.db2.gz ZWRQNHDUVWFMSM-UHFFFAOYSA-N 1 0 393.336 2.835 20 0 GFADRO O=S(=O)(/C=C/c1cccc(Br)c1)NC1(C2CC[NH2+]CC2)CC1 ZINC000903556720 663788488 /nfs/dbraw/zinc/78/84/88/663788488.db2.gz GXUKTFNUROICLW-IZZDOVSWSA-N 1 0 385.327 2.871 20 0 GFADRO [NH3+]C[C@H]1C[C@H](NS(=O)(=O)c2ccc(Br)c(Cl)c2Cl)C1 ZINC000903569993 663789084 /nfs/dbraw/zinc/78/90/84/663789084.db2.gz UQQPRJISFUMTEH-LJGSYFOKSA-N 1 0 388.114 2.772 20 0 GFADRO O=S(=O)(N[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccccc1Cl ZINC000903573873 663789604 /nfs/dbraw/zinc/78/96/04/663789604.db2.gz MGSFAQGQTLCSMK-YJBOKZPZSA-N 1 0 378.881 2.874 20 0 GFADRO [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(S(=O)(=O)Cc1cccc(Cl)c1Br)C2 ZINC000903577958 663789818 /nfs/dbraw/zinc/78/98/18/663789818.db2.gz ZRACGFHKGJQYPN-DLOVCJGASA-N 1 0 393.734 2.744 20 0 GFADRO [NH3+][C@@H]1CN(S(=O)(=O)c2ccc3nc(Cl)sc3c2)CC[C@@H]1C(F)(F)F ZINC000903578391 663789921 /nfs/dbraw/zinc/78/99/21/663789921.db2.gz GZPQRWJPTOJIHC-DTWKUNHWSA-N 1 0 399.847 2.850 20 0 GFADRO [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(S(=O)(=O)c1ccc(Cl)cc1Br)C2 ZINC000903578880 663789954 /nfs/dbraw/zinc/78/99/54/663789954.db2.gz GGFYSHTVQNPSFN-LSJOCFKGSA-N 1 0 379.707 2.603 20 0 GFADRO [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(S(=O)(=O)c1cc(Cl)ccc1Br)C2 ZINC000903579252 663790072 /nfs/dbraw/zinc/79/00/72/663790072.db2.gz KAKXNZXDVMKVKK-LSJOCFKGSA-N 1 0 379.707 2.603 20 0 GFADRO [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(S(=O)(=O)c1cc(Br)sc1Cl)C2 ZINC000903580391 663790219 /nfs/dbraw/zinc/79/02/19/663790219.db2.gz XEYYFGNGWWSEOD-FXQIFTODSA-N 1 0 385.736 2.664 20 0 GFADRO [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(S(=O)(=O)Cc1ccc(Cl)cc1Br)C2 ZINC000903580321 663790318 /nfs/dbraw/zinc/79/03/18/663790318.db2.gz WHEXRXYICFGHHC-BIMULSAOSA-N 1 0 393.734 2.744 20 0 GFADRO [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(S(=O)(=O)c1cc(Br)ccc1Cl)C2 ZINC000903582001 663790397 /nfs/dbraw/zinc/79/03/97/663790397.db2.gz PXBQYZZLQVAXSE-GDPRMGEGSA-N 1 0 379.707 2.603 20 0 GFADRO Ic1ccc(CN2CC[NH2+]CCC23CCOCC3)cc1 ZINC000903815251 663807584 /nfs/dbraw/zinc/80/75/84/663807584.db2.gz JNHCXKRTSXUNLN-UHFFFAOYSA-N 1 0 386.277 2.636 20 0 GFADRO [NH3+][C@H](CC(F)F)CN1CCN(Cc2cc(Br)ccc2F)CC1 ZINC000903916280 663811469 /nfs/dbraw/zinc/81/14/69/663811469.db2.gz GNNYQTBFOHWLKL-CYBMUJFWSA-N 1 0 380.252 2.688 20 0 GFADRO [NH3+]C[C@@H]1C[C@@H]1c1nc(C2(c3ccc(Br)cc3)CCOCC2)no1 ZINC000904118278 663825387 /nfs/dbraw/zinc/82/53/87/663825387.db2.gz DNCSMAMUBWNODF-FZMZJTMJSA-N 1 0 378.270 2.991 20 0 GFADRO O=C(Nc1cc(F)c(F)cc1I)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000904358870 663831315 /nfs/dbraw/zinc/83/13/15/663831315.db2.gz AISWEHNZJPGZFT-MDSUWVFBSA-N 1 0 393.175 2.584 20 0 GFADRO O=C(Nc1cccc(F)c1I)N1CCC[C@@]12CC[NH2+]C2 ZINC000904393923 663832540 /nfs/dbraw/zinc/83/25/40/663832540.db2.gz IHAXKLYRPTYHOW-AWEZNQCLSA-N 1 0 389.212 2.790 20 0 GFADRO COC[C@@H]1C[NH2+]CCN1C(=O)Nc1cc(F)c(Br)cc1Cl ZINC000904462340 663835389 /nfs/dbraw/zinc/83/53/89/663835389.db2.gz HWRMASQVZMCRQQ-QMMMGPOBSA-N 1 0 380.645 2.694 20 0 GFADRO O=C(Nc1cc(C(F)(F)F)cc(Br)n1)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000904486510 663836384 /nfs/dbraw/zinc/83/63/84/663836384.db2.gz ZVWVQRANAWFIAE-HRDYMLBCSA-N 1 0 379.180 2.877 20 0 GFADRO O=C(Nc1ccc(I)cc1F)N1CCC[C@]12CC[NH2+]C2 ZINC000904520770 663836575 /nfs/dbraw/zinc/83/65/75/663836575.db2.gz JLIIEKMMWKEACF-CQSZACIVSA-N 1 0 389.212 2.790 20 0 GFADRO COCCOc1ccc(NC(=O)N[C@@H]2CC[NH2+][C@@H](C)C2)cc1Br ZINC000904550538 663837753 /nfs/dbraw/zinc/83/77/53/663837753.db2.gz GONXRDBGCDPZCI-WCQYABFASA-N 1 0 386.290 2.736 20 0 GFADRO COCCOc1ccc(NC(=O)N2CC[C@@H]([C@H](C)[NH3+])C2)cc1Br ZINC000904550954 663837904 /nfs/dbraw/zinc/83/79/04/663837904.db2.gz IGGWWBBXSKFCAP-NWDGAFQWSA-N 1 0 386.290 2.675 20 0 GFADRO COCCOc1ccc(NC(=O)N[C@H]2C[NH2+]CC[C@H]2C)cc1Br ZINC000904552803 663838144 /nfs/dbraw/zinc/83/81/44/663838144.db2.gz YYHDCFXEHXZDKU-RISCZKNCSA-N 1 0 386.290 2.594 20 0 GFADRO Brc1cc(Cc2noc(C3=CCC[NH2+]CC3)n2)cc2c1OCCO2 ZINC000904665661 663839794 /nfs/dbraw/zinc/83/97/94/663839794.db2.gz LSAFSJRDUOJKPU-UHFFFAOYSA-N 1 0 392.253 2.961 20 0 GFADRO [NH3+][C@H]1CCCn2nc(-c3nc(-c4nc(Br)ccc4F)no3)cc21 ZINC000904709133 663841546 /nfs/dbraw/zinc/84/15/46/663841546.db2.gz SFTHUFKLMLINMZ-QMMMGPOBSA-N 1 0 379.193 2.690 20 0 GFADRO Cc1ccc(C[C@H](C)[NH2+]C[C@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)s1 ZINC000905139826 663854643 /nfs/dbraw/zinc/85/46/43/663854643.db2.gz YGCPMCKRZJMJBM-BBRMVZONSA-N 1 0 388.599 2.579 20 0 GFADRO Cc1cc(Br)cn2cc(CC[NH2+]C[C@H](O)CC3(O)CCCC3)nc12 ZINC000905210062 663858429 /nfs/dbraw/zinc/85/84/29/663858429.db2.gz ULDCJRGHAIWPNH-MRXNPFEDSA-N 1 0 396.329 2.593 20 0 GFADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C[C@@H](O)C(Cl)(Cl)Cl ZINC000905218892 663859970 /nfs/dbraw/zinc/85/99/70/663859970.db2.gz DCNUDMSYPUXGSV-CQSZACIVSA-N 1 0 394.730 2.807 20 0 GFADRO Cc1cc(C[NH2+]C[C@H](O)CCC2(O)CCC2)ccc1I ZINC000905243493 663862227 /nfs/dbraw/zinc/86/22/27/663862227.db2.gz JKHCLEYWXJXTEC-CQSZACIVSA-N 1 0 389.277 2.745 20 0 GFADRO C[C@@](O)(C[NH2+][C@H]1C[C@H](S(=O)(=O)c2ccccc2)C1)C(F)(F)C(F)(F)F ZINC000905403873 663869953 /nfs/dbraw/zinc/86/99/53/663869953.db2.gz FZMTUFAEQZCJHG-RAIGVLPGSA-N 1 0 387.370 2.530 20 0 GFADRO O[C@@H](C[NH2+]C[C@H](O)C(F)(F)C(F)(F)F)c1cccc(Br)c1 ZINC000905446897 663872056 /nfs/dbraw/zinc/87/20/56/663872056.db2.gz MFCVERFFPMNBAU-UWVGGRQHSA-N 1 0 378.135 2.631 20 0 GFADRO CS(=O)(=O)c1ccccc1CC[NH2+]C[C@@H](O)c1ccccc1Br ZINC000905554372 663878070 /nfs/dbraw/zinc/87/80/70/663878070.db2.gz DIDWFFORXHQZFO-MRXNPFEDSA-N 1 0 398.322 2.718 20 0 GFADRO O[C@@H](C[NH2+]Cc1c(Cl)cc(Br)cc1Cl)C1(O)CCOCC1 ZINC000905617479 663881706 /nfs/dbraw/zinc/88/17/06/663881706.db2.gz DPUVCKGWTXFZEL-ZDUSSCGKSA-N 1 0 399.112 2.748 20 0 GFADRO C[NH+]1CCC(CNC(=S)N2CCC[C@@H]2c2ncc(Br)cn2)CC1 ZINC000905645999 663883506 /nfs/dbraw/zinc/88/35/06/663883506.db2.gz UTXHOIDQQHJYJO-CQSZACIVSA-N 1 0 398.374 2.592 20 0 GFADRO COC(=O)c1cc2n(n1)CCC[C@H]2[NH2+]C[C@@H](O)c1ccc(Br)cc1 ZINC000905669773 663884803 /nfs/dbraw/zinc/88/48/03/663884803.db2.gz WWOCVTKTTVALNG-CZUORRHYSA-N 1 0 394.269 2.590 20 0 GFADRO C[C@@H]1OC[C@]2(CC[C@H](C[NH2+][C@@H](C(N)=O)c3cccc(Br)c3)O2)[C@H]1C ZINC000905842481 663896199 /nfs/dbraw/zinc/89/61/99/663896199.db2.gz NWIJYMZSWHDVGH-REBNJCNJSA-N 1 0 397.313 2.538 20 0 GFADRO Cc1cc(NS(=O)(=O)N=[S@@](C)(=O)c2ccccc2)ccc1C[NH+](C)C ZINC000906068598 663920420 /nfs/dbraw/zinc/92/04/20/663920420.db2.gz VZMXKBYPHMHNSX-DEOSSOPVSA-N 1 0 381.523 2.870 20 0 GFADRO C[C@H](c1ccccc1Br)N(C)C(=O)C1(n2cccn2)CC[NH2+]CC1 ZINC000906219783 663932389 /nfs/dbraw/zinc/93/23/89/663932389.db2.gz SSSVCUIVWYLGSD-CQSZACIVSA-N 1 0 391.313 2.944 20 0 GFADRO COc1cc(C(=O)N(C)c2cc(C[NH3+])ccn2)cc(OC)c1Br ZINC000906230277 663933205 /nfs/dbraw/zinc/93/32/05/663933205.db2.gz RKSKWPGWLQUXDE-UHFFFAOYSA-N 1 0 380.242 2.597 20 0 GFADRO C[N@@H+]1CCCN(c2ccc(NC(=O)C[C@H](O)C(Cl)(Cl)Cl)cc2)CC1 ZINC000906249011 663933916 /nfs/dbraw/zinc/93/39/16/663933916.db2.gz UGIFJEUEZLQKLX-AWEZNQCLSA-N 1 0 394.730 2.888 20 0 GFADRO C[C@H](C(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1)c1cnccn1 ZINC000906441747 663948221 /nfs/dbraw/zinc/94/82/21/663948221.db2.gz YRRHSIOIMKBMLQ-AWEZNQCLSA-N 1 0 391.313 2.933 20 0 GFADRO CC(C)(C)[N@@H+]1CCCN(C(=O)c2cc(Br)cn(C3CC3)c2=O)CC1 ZINC000906451914 663949154 /nfs/dbraw/zinc/94/91/54/663949154.db2.gz YUGZZUSKLUMXEB-UHFFFAOYSA-N 1 0 396.329 2.892 20 0 GFADRO CC[NH+]1CCN([C@@H](C)CNC(=O)Cc2sc(C)cc2Br)CC1 ZINC000906671669 663964431 /nfs/dbraw/zinc/96/44/31/663964431.db2.gz GZQNXZHFOURKRC-LBPRGKRZSA-N 1 0 388.375 2.504 20 0 GFADRO CC(C)C[C@@H](CNC(=O)c1cc(Br)cn(C2CC2)c1=O)[NH+](C)C ZINC000906674101 663964459 /nfs/dbraw/zinc/96/44/59/663964459.db2.gz SATIQPGXEZBENA-AWEZNQCLSA-N 1 0 384.318 2.652 20 0 GFADRO CO[C@@H](C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1)c1ccc(Br)s1 ZINC000906710586 663966181 /nfs/dbraw/zinc/96/61/81/663966181.db2.gz OJZSNHJBTRPGTC-BXUZGUMPSA-N 1 0 375.332 2.998 20 0 GFADRO O=C(NC[C@H]1CCCCC[NH2+]1)C(=O)Nc1ccc(Cl)c(OC(F)F)c1 ZINC000906736443 663967665 /nfs/dbraw/zinc/96/76/65/663967665.db2.gz ACZXUYNXBISXTR-LLVKDONJSA-N 1 0 375.803 2.528 20 0 GFADRO Cc1c(C(=O)N(C)[C@H]2CCC[N@H+](C)C2)nnn1-c1ccccc1Br ZINC000906796840 663971813 /nfs/dbraw/zinc/97/18/13/663971813.db2.gz CZHVUBDZUKKDAM-ZDUSSCGKSA-N 1 0 392.301 2.504 20 0 GFADRO Cc1c(C(=O)N(C)[C@@H]2CCC[N@H+](C)C2)nnn1-c1ccccc1Br ZINC000906796838 663971853 /nfs/dbraw/zinc/97/18/53/663971853.db2.gz CZHVUBDZUKKDAM-CYBMUJFWSA-N 1 0 392.301 2.504 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cccn3ncc(Br)c23)[C@@H](C)C1 ZINC000906795056 663971919 /nfs/dbraw/zinc/97/19/19/663971919.db2.gz ZREQSAPPJUTHIT-WFASDCNBSA-N 1 0 379.302 2.899 20 0 GFADRO CO[C@@H](C(=O)NC[C@]1([NH+](C)C)CCSC1)c1ccc(Br)s1 ZINC000906900418 663980395 /nfs/dbraw/zinc/98/03/95/663980395.db2.gz HGELUPNLVQLZRF-TZMCWYRMSA-N 1 0 393.372 2.752 20 0 GFADRO Cc1cc(Br)c(CC(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)s1 ZINC000906917395 663982078 /nfs/dbraw/zinc/98/20/78/663982078.db2.gz IDJKCKORQJWEIZ-ZDUSSCGKSA-N 1 0 387.343 2.542 20 0 GFADRO Cc1cc(OCC(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)ccc1Br ZINC000906998321 663990617 /nfs/dbraw/zinc/99/06/17/663990617.db2.gz NZOIPABWPLIIHU-HNNXBMFYSA-N 1 0 397.313 2.506 20 0 GFADRO O=S(=O)(NC1CC[NH+](C2CCOCC2)CC1)c1cccc(Cl)c1Cl ZINC000907330710 664024105 /nfs/dbraw/zinc/02/41/05/664024105.db2.gz SJNUGCUGHPBLAW-UHFFFAOYSA-N 1 0 393.336 2.915 20 0 GFADRO Cc1cc(Br)c(S(=O)(=O)N2CCC23CC[NH+](C)CC3)s1 ZINC000907853200 664065723 /nfs/dbraw/zinc/06/57/23/664065723.db2.gz GGKNYYMLHZVHCA-UHFFFAOYSA-N 1 0 379.345 2.678 20 0 GFADRO C[C@@]12CCN(C(=O)C3CCC([NH+]4CCOCC4)CC3)C[C@@H]1C2(Cl)Cl ZINC000908070615 664081076 /nfs/dbraw/zinc/08/10/76/664081076.db2.gz DRWZPGPNXNEBKF-UMPYDWHISA-N 1 0 375.340 2.920 20 0 GFADRO Cc1cc(OCC(=O)Nc2ccnn2CC[NH+](C)C)ccc1Br ZINC000908442650 664106549 /nfs/dbraw/zinc/10/65/49/664106549.db2.gz PQMBRVGDGWFXAE-UHFFFAOYSA-N 1 0 381.274 2.533 20 0 GFADRO COc1cc(C[NH+](C)C)ccc1NC(=O)c1nn2c(c1Br)CCC2 ZINC000909476057 664160506 /nfs/dbraw/zinc/16/05/06/664160506.db2.gz MSPYPVODCAVHLD-UHFFFAOYSA-N 1 0 393.285 2.914 20 0 GFADRO [NH3+][C@@H]1CC[C@H](CNC(=O)C(=O)N(Cc2ccc(Cl)c(Cl)c2)C2CC2)C1 ZINC000911494291 664247172 /nfs/dbraw/zinc/24/71/72/664247172.db2.gz OALNMTQDQCYHJL-WCQYABFASA-N 1 0 384.307 2.728 20 0 GFADRO C[C@@H](NC(=O)c1cc(Br)cnc1Br)[C@@H]1CCC[NH2+]C1 ZINC000911727178 664254479 /nfs/dbraw/zinc/25/44/79/664254479.db2.gz XGXPANZSNIHCEY-RKDXNWHRSA-N 1 0 391.107 2.725 20 0 GFADRO C[C@H]1CN(C(=O)c2c(Cl)ccc(I)c2F)CC[C@@H]1[NH3+] ZINC000911816651 664256936 /nfs/dbraw/zinc/25/69/36/664256936.db2.gz CUNSTHGXWGJJCE-XVKPBYJWSA-N 1 0 396.631 2.893 20 0 GFADRO Brc1nnc(-c2ccc(N3CC[NH+](C4CCOCC4)CC3)cc2)o1 ZINC000911961295 664263891 /nfs/dbraw/zinc/26/38/91/664263891.db2.gz AREAXRVSUWGFQS-UHFFFAOYSA-N 1 0 393.285 2.800 20 0 GFADRO C[C@H]([NH3+])C1(C(=O)N(C)CC(=O)Nc2ccc(Cl)c(Cl)c2)CCOCC1 ZINC000912015982 664266543 /nfs/dbraw/zinc/26/65/43/664266543.db2.gz DQOBONUCFCYXRC-NSHDSACASA-N 1 0 388.295 2.534 20 0 GFADRO CN(CCOc1ccc(Br)cc1)C(=O)c1ccc2c(n1)C[NH2+]CC2 ZINC000912033278 664267425 /nfs/dbraw/zinc/26/74/25/664267425.db2.gz RIROBMUQZTZNRI-UHFFFAOYSA-N 1 0 390.281 2.641 20 0 GFADRO CC(C)[NH+]1CCN(CCCC(=O)Nc2ccc(Br)c(CO)c2)CC1 ZINC000912166294 664272595 /nfs/dbraw/zinc/27/25/95/664272595.db2.gz QQGCTDWXOVNBGA-UHFFFAOYSA-N 1 0 398.345 2.686 20 0 GFADRO O=C(NCc1cc(F)ccc1Br)c1cnc(C2CC[NH2+]CC2)o1 ZINC000912270366 664279129 /nfs/dbraw/zinc/27/91/29/664279129.db2.gz PEMSGLCRJYBXAU-UHFFFAOYSA-N 1 0 382.233 2.973 20 0 GFADRO C[C@@H]1C[C@H](C(=O)N2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)CC[NH2+]1 ZINC000912289548 664280236 /nfs/dbraw/zinc/28/02/36/664280236.db2.gz MUMVDLOVQGKZTD-CHWSQXEVSA-N 1 0 384.307 2.666 20 0 GFADRO CCC1CCC(N(C)C(=O)c2cc(Br)cn(CC[NH3+])c2=O)CC1 ZINC000912343248 664282780 /nfs/dbraw/zinc/28/27/80/664282780.db2.gz PRXWGEIPUPTZNR-UHFFFAOYSA-N 1 0 384.318 2.610 20 0 GFADRO O=C(C[C@]1(O)CCC[NH2+]C1)N[C@H]1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000912465342 664288545 /nfs/dbraw/zinc/28/85/45/664288545.db2.gz BGGHNMQTPUQWJZ-MPPDQPJWSA-N 1 0 376.341 2.517 20 0 GFADRO CC(C)C[NH2+]C1(CO)CCN(C(=O)[C@H](O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000912587731 664293908 /nfs/dbraw/zinc/29/39/08/664293908.db2.gz XGBRSBANDMPKKV-MRXNPFEDSA-N 1 0 389.323 2.626 20 0 GFADRO C[NH+](C)CCCOC(=O)CCCNS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000912591682 664294230 /nfs/dbraw/zinc/29/42/30/664294230.db2.gz HDJJIEVYLGCIPG-UHFFFAOYSA-N 1 0 397.324 2.547 20 0 GFADRO CC[C@@H](C(=O)N[C@H](c1nccn1C)c1ccc(Br)cc1)[NH+](C)C ZINC000912677752 664296478 /nfs/dbraw/zinc/29/64/78/664296478.db2.gz YQHNIQUZIQOXEH-GJZGRUSLSA-N 1 0 379.302 2.728 20 0 GFADRO COc1cc(NC(=O)C[C@]2(O)CCC[N@H+](C)C2)c(Cl)cc1Br ZINC000912698672 664298464 /nfs/dbraw/zinc/29/84/64/664298464.db2.gz QRDZCSFPBJBJIJ-OAHLLOKOSA-N 1 0 391.693 2.896 20 0 GFADRO C[C@@H](C[NH+](C)C)[C@H]1CCCCN1C(=O)c1cc2ncc(Br)cn2n1 ZINC000912801253 664303054 /nfs/dbraw/zinc/30/30/54/664303054.db2.gz JIPOTRNFRNWLEN-SWLSCSKDSA-N 1 0 394.317 2.684 20 0 GFADRO C[C@H](C[NH+](C)C)[C@@H]1CCCCN1C(=O)c1nccn2c(Br)cnc12 ZINC000912809692 664303415 /nfs/dbraw/zinc/30/34/15/664303415.db2.gz KDDNGRAOLPPRDK-OLZOCXBDSA-N 1 0 394.317 2.684 20 0 GFADRO O=C(c1cc(Br)c2c(c1)OCCO2)N1CCC([NH+]2CCC2)CC1 ZINC000912879749 664307250 /nfs/dbraw/zinc/30/72/50/664307250.db2.gz KOGJTRVRHZDNJI-UHFFFAOYSA-N 1 0 381.270 2.531 20 0 GFADRO Cc1ccc(I)c(C(=O)N2CCC([NH+]3CCC3)CC2)c1 ZINC000912880551 664307277 /nfs/dbraw/zinc/30/72/77/664307277.db2.gz XQFKPMOEAMOEKG-UHFFFAOYSA-N 1 0 384.261 2.910 20 0 GFADRO O=C(c1ccc(OC(F)F)c(Br)c1)N1CC[C@H]([NH+]2CCC2)C1 ZINC000912901093 664309353 /nfs/dbraw/zinc/30/93/53/664309353.db2.gz XZBXBXORWXKEDV-NSHDSACASA-N 1 0 375.213 2.971 20 0 GFADRO C[C@@H]1C[C@H](c2ccc(Br)cc2)CN1C(=O)[C@]1(C)C[C@H](O)C[N@@H+]1C ZINC000913173326 664327792 /nfs/dbraw/zinc/32/77/92/664327792.db2.gz AAQAPCGSBFMHMV-XJOINEQPSA-N 1 0 381.314 2.609 20 0 GFADRO C[NH+]1C[C@@]2(C)CN(C(=O)C3(c4cncc(Br)c4)CC3)C[C@]2(C)C1 ZINC000913278863 664331032 /nfs/dbraw/zinc/33/10/32/664331032.db2.gz LZLSCBKZFNFGTM-IRXDYDNUSA-N 1 0 378.314 2.676 20 0 GFADRO C[NH+](C)C1(C)CCN(C(=O)C(C)(C)S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000913390049 664334599 /nfs/dbraw/zinc/33/45/99/664334599.db2.gz KAHIIBQLOZKPGO-UHFFFAOYSA-N 1 0 386.945 2.835 20 0 GFADRO C[C@H](Oc1cc(Cl)cc(Cl)c1)C(=O)N1CCC(O)(C[NH+](C)C)CC1 ZINC000913680023 664349570 /nfs/dbraw/zinc/34/95/70/664349570.db2.gz ACQCBJTZMWQSAI-LBPRGKRZSA-N 1 0 375.296 2.676 20 0 GFADRO O=C(c1c[nH]c2cccc(Br)c12)N1CC[NH+](CCCCCO)CC1 ZINC000913692751 664350540 /nfs/dbraw/zinc/35/05/40/664350540.db2.gz ZESXFMUIZKCUMB-UHFFFAOYSA-N 1 0 394.313 2.851 20 0 GFADRO CN(Cc1ccc(Br)s1)S(=O)(=O)C[C@@]12CC[N@H+](C1)CCC2 ZINC000913856584 664361974 /nfs/dbraw/zinc/36/19/74/664361974.db2.gz LKUSJEXDRZBOQQ-AWEZNQCLSA-N 1 0 393.372 2.758 20 0 GFADRO CC[N@@H+]1CCC[C@H](CNS(=O)(=O)Cc2ccsc2Br)C1 ZINC000914025955 664372657 /nfs/dbraw/zinc/37/26/57/664372657.db2.gz KFVALEGOTBZWKQ-LLVKDONJSA-N 1 0 381.361 2.662 20 0 GFADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)N(C)Cc2ncc(Br)cn2)C1 ZINC000914079258 664375162 /nfs/dbraw/zinc/37/51/62/664375162.db2.gz ZHYAALDIWVGYHZ-OKILXGFUSA-N 1 0 398.349 2.749 20 0 GFADRO COc1cc(Br)cc(CNC(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000914151131 664379820 /nfs/dbraw/zinc/37/98/20/664379820.db2.gz WSXVBJAYICJUTC-CABCVRRESA-N 1 0 382.302 2.884 20 0 GFADRO O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)NC1(c2ncc(Br)cn2)CCC1 ZINC000914149235 664379907 /nfs/dbraw/zinc/37/99/07/664379907.db2.gz FTIJINWKCMPMJC-UONOGXRCSA-N 1 0 394.317 2.544 20 0 GFADRO COc1cc(Br)cc(CNC(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000914151133 664379952 /nfs/dbraw/zinc/37/99/52/664379952.db2.gz WSXVBJAYICJUTC-HUUCEWRRSA-N 1 0 382.302 2.884 20 0 GFADRO O=C(NCc1cc(Br)cs1)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000914200770 664385114 /nfs/dbraw/zinc/38/51/14/664385114.db2.gz OYGWHGXRIPMWBM-ZDUSSCGKSA-N 1 0 388.331 2.563 20 0 GFADRO CCC[N@@H+]1CC[C@H](CNC(=O)NC2(c3ncc(Br)cn3)CCC2)C1 ZINC000914338476 664400828 /nfs/dbraw/zinc/40/08/28/664400828.db2.gz XYDZPIILMNOLEZ-CYBMUJFWSA-N 1 0 396.333 2.649 20 0 GFADRO C[N@@H+]1CCC[C@@H]1CNC(=O)N1CCCC[C@H]1c1ncc(Br)cn1 ZINC000914391240 664406234 /nfs/dbraw/zinc/40/62/34/664406234.db2.gz FMHIIXVOUDGVOM-KGLIPLIRSA-N 1 0 382.306 2.570 20 0 GFADRO CC(C)C[C@H](CNC(=O)/C=C\c1ccc(I)o1)[NH+](C)C ZINC000915267922 664426178 /nfs/dbraw/zinc/42/61/78/664426178.db2.gz OUEGMMVCAJSGBA-XYLWRLHESA-N 1 0 390.265 2.990 20 0 GFADRO O=C(NC1CC[NH+](C[C@H]2CCCO2)CC1)c1cc(Br)ccc1F ZINC000915626572 664435911 /nfs/dbraw/zinc/43/59/11/664435911.db2.gz OTQVDAWILABDBP-CQSZACIVSA-N 1 0 385.277 2.961 20 0 GFADRO COc1cc(Br)ccc1OS(=O)(=O)C[C@@]12CC[N@H+](C1)CCC2 ZINC000915681626 664437550 /nfs/dbraw/zinc/43/75/50/664437550.db2.gz COFNNMHDWKAJMJ-HNNXBMFYSA-N 1 0 390.299 2.652 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(S(=O)(=O)c3cc(Br)sc3Cl)C[C@@H]2C1 ZINC000916664431 664468745 /nfs/dbraw/zinc/46/87/45/664468745.db2.gz XPMREIGBVCMOOB-BDAKNGLRSA-N 1 0 399.763 2.736 20 0 GFADRO C[C@@H](CNC(=O)N1CCCC[C@@H]1c1ncc(Br)cn1)[N@H+](C)C1CC1 ZINC000916851537 664472992 /nfs/dbraw/zinc/47/29/92/664472992.db2.gz PNQLUABRZUYIOC-SWLSCSKDSA-N 1 0 396.333 2.958 20 0 GFADRO C[C@H](CNC(=O)N1CCCC[C@H]1c1ncc(Br)cn1)[N@H+](C)C1CC1 ZINC000916851535 664473016 /nfs/dbraw/zinc/47/30/16/664473016.db2.gz PNQLUABRZUYIOC-DOMZBBRYSA-N 1 0 396.333 2.958 20 0 GFADRO CC(C)[NH2+]C1(CO)CCN(S(=O)(=O)Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000917535225 664485690 /nfs/dbraw/zinc/48/56/90/664485690.db2.gz AUDXFUJAPZOQEO-UHFFFAOYSA-N 1 0 395.352 2.648 20 0 GFADRO CCCC[N@H+](C)CCNC(=O)NC1(c2ncc(Br)cn2)CCC1 ZINC000918216569 664497136 /nfs/dbraw/zinc/49/71/36/664497136.db2.gz LRVLSVZSYMJLFO-UHFFFAOYSA-N 1 0 384.322 2.649 20 0 GFADRO CC(C)[C@H](C[NH+](C)C)NC(=O)C1CCN(C(=O)c2ccc(Cl)s2)CC1 ZINC000918693345 664502678 /nfs/dbraw/zinc/50/26/78/664502678.db2.gz HUVNVLLXGHOLML-AWEZNQCLSA-N 1 0 385.961 2.956 20 0 GFADRO Cc1cc[n+](C(C(=O)c2ccc(Cl)s2)C(=S)NCC(=O)N(C)C)cc1 ZINC000918732480 664503698 /nfs/dbraw/zinc/50/36/98/664503698.db2.gz HAYSGJBVYWINPZ-UHFFFAOYSA-O 1 0 396.945 2.886 20 0 GFADRO Nc1cc[nH+]c2c1CN(S(=O)(=O)c1ccc(OC(F)F)c(Cl)c1)CC2 ZINC000918893720 664506012 /nfs/dbraw/zinc/50/60/12/664506012.db2.gz SDARKBLYPVFILG-UHFFFAOYSA-N 1 0 389.811 2.666 20 0 GFADRO O=C(NCc1nc(C(F)(F)F)cs1)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000919896349 664519413 /nfs/dbraw/zinc/51/94/13/664519413.db2.gz QJQGAFOQAXESNN-UWVGGRQHSA-N 1 0 380.461 2.541 20 0 GFADRO COCCNc1nn(CN2CC[NH+](CCc3cccs3)CC2)c(=S)s1 ZINC000919949641 664520267 /nfs/dbraw/zinc/52/02/67/664520267.db2.gz DSDGOOWDSSUBNP-UHFFFAOYSA-N 1 0 399.611 2.612 20 0 GFADRO O[C@H](C[NH2+]C[C@H](O)c1ccco1)COc1ccc(Cl)cc1Br ZINC000920091901 664522064 /nfs/dbraw/zinc/52/20/64/664522064.db2.gz UCIFTOGFNNZIJJ-YPMHNXCESA-N 1 0 390.661 2.758 20 0 GFADRO C[C@@H]1CCC[C@@](CNC(=O)c2ccc(Cl)c(S(C)(=O)=O)c2)([NH+](C)C)C1 ZINC000920742552 664530126 /nfs/dbraw/zinc/53/01/26/664530126.db2.gz VMOBZNTWLKYBOU-FZKQIMNGSA-N 1 0 386.945 2.984 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)NC2(c3ncc(Br)cn3)CCC2)C[N@@H+]1C1CC1 ZINC000921384755 664545206 /nfs/dbraw/zinc/54/52/06/664545206.db2.gz WTFSGOCVAQKFCC-YPMHNXCESA-N 1 0 394.317 2.543 20 0 GFADRO C[NH+](C)CC[C@H](NS(=O)(=O)Cc1c(F)cccc1Cl)c1cccnc1 ZINC000921479967 664550015 /nfs/dbraw/zinc/55/00/15/664550015.db2.gz WWRSOZAGKORLKE-KRWDZBQOSA-N 1 0 385.892 2.987 20 0 GFADRO Cc1ccc([C@H](C[NH2+]Cc2nc(Br)c[nH]2)N2CCOCC2)cc1 ZINC000921563639 664553378 /nfs/dbraw/zinc/55/33/78/664553378.db2.gz OCYHUTLAPZXPSO-HNNXBMFYSA-N 1 0 379.302 2.644 20 0 GFADRO Cn1ccnc1[C@](O)(CC[NH2+]Cc1c(Cl)n[nH]c1C1CC1)C(F)(F)F ZINC000921579963 664555183 /nfs/dbraw/zinc/55/51/83/664555183.db2.gz ALKYAYGOPVLEAO-CQSZACIVSA-N 1 0 377.798 2.604 20 0 GFADRO CCn1c(Br)c(Br)nc1CN[C@H]1CCC[N@H+](C)C1 ZINC000921581904 664555308 /nfs/dbraw/zinc/55/53/08/664555308.db2.gz RNFUEULIZCVRIT-VIFPVBQESA-N 1 0 380.128 2.612 20 0 GFADRO C[C@@H](C[NH2+]Cc1c2c(nn1C)CCOC2)Oc1ccccc1Br ZINC000921817995 664570555 /nfs/dbraw/zinc/57/05/55/664570555.db2.gz WFYUTWINYLVANZ-LBPRGKRZSA-N 1 0 380.286 2.812 20 0 GFADRO O=S(=O)(NCCC[NH2+][C@@H]1CC[C@H]2COCC[C@H]2C1)c1ccccc1Cl ZINC000922091830 664585413 /nfs/dbraw/zinc/58/54/13/664585413.db2.gz MOXAPQDHHXIMQY-HRCADAONSA-N 1 0 386.945 2.803 20 0 GFADRO Cc1cc(C[NH2+]CC2([S@@](C)=O)CC2)c(C)cc1I ZINC000922102818 664585881 /nfs/dbraw/zinc/58/58/81/664585881.db2.gz ZKTPNCHVOYWJBN-GOSISDBHSA-N 1 0 377.291 2.909 20 0 GFADRO Cc1cccc(C[NH2+][C@@H]2CCC(=O)N[C@H]2c2ccnn2C)c1Br ZINC000922118531 664586644 /nfs/dbraw/zinc/58/66/44/664586644.db2.gz BCBVFPQSEWJVJV-CXAGYDPISA-N 1 0 377.286 2.601 20 0 GFADRO CC1([NH+]2CCC2)CCN(C(=O)c2cc(Br)cn(C3CC3)c2=O)CC1 ZINC000922168488 664588651 /nfs/dbraw/zinc/58/86/51/664588651.db2.gz SKDTZMZACJQDLJ-UHFFFAOYSA-N 1 0 394.313 2.646 20 0 GFADRO CCn1c(C[NH2+]C[C@H]2C[C@@H](OC)C2)nc(Br)c1Br ZINC000922297133 664593800 /nfs/dbraw/zinc/59/38/00/664593800.db2.gz JRZMYDAPYHKNCB-DTORHVGOSA-N 1 0 381.112 2.943 20 0 GFADRO COC(OC)[C@H](C)[NH2+]C1CCN(C(=O)c2ccc(Br)cc2C)CC1 ZINC000922313686 664594497 /nfs/dbraw/zinc/59/44/97/664594497.db2.gz UMAOYUCCKKCEDL-ZDUSSCGKSA-N 1 0 399.329 2.959 20 0 GFADRO CCn1ccnc1[C@@H]1OCC[C@H]1[NH2+]Cc1cnc2ccc(Br)cn12 ZINC000922401625 664599679 /nfs/dbraw/zinc/59/96/79/664599679.db2.gz RBHMVKQVDLKCIH-GDBMZVCRSA-N 1 0 390.285 2.933 20 0 GFADRO CN(C)S(=O)(=O)Cc1ccc(C[NH2+]Cc2cc3ccncc3s2)cc1 ZINC000922452366 664602159 /nfs/dbraw/zinc/60/21/59/664602159.db2.gz WZBFNEDJINFPCE-UHFFFAOYSA-N 1 0 375.519 2.978 20 0 GFADRO CN1C[C@H](CC[NH2+]Cc2cc(Br)c3c(c2)OCCCO3)CC1=O ZINC000922489229 664603739 /nfs/dbraw/zinc/60/37/39/664603739.db2.gz OLFGGQUXUDCDQR-GFCCVEGCSA-N 1 0 383.286 2.568 20 0 GFADRO C[NH+]1CCC(CC(=O)N[C@H]2CCc3cc(Br)ccc3NC2=O)CC1 ZINC000922510650 664605080 /nfs/dbraw/zinc/60/50/80/664605080.db2.gz DFHIBUWAGHMQJH-INIZCTEOSA-N 1 0 394.313 2.551 20 0 GFADRO CCOCCOc1ccc(Br)cc1C[NH2+]C1CC(CC(N)=O)C1 ZINC000922513737 664605404 /nfs/dbraw/zinc/60/54/04/664605404.db2.gz IPFCSHGOOFOSAP-UHFFFAOYSA-N 1 0 385.302 2.608 20 0 GFADRO OC1(C[NH2+]Cc2cc(Br)cc3c2OCC3)CCC2(CC1)OCCO2 ZINC000922624034 664608853 /nfs/dbraw/zinc/60/88/53/664608853.db2.gz NLLVLWPVZGNFGK-UHFFFAOYSA-N 1 0 398.297 2.522 20 0 GFADRO C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1C[NH2+]CC(C)(C)CS(C)(=O)=O ZINC000922739194 664613019 /nfs/dbraw/zinc/61/30/19/664613019.db2.gz DIXIMCCQZRGWNR-LSDHHAIUSA-N 1 0 376.563 2.540 20 0 GFADRO Brc1ccc2ncc(C[NH2+]C[C@@H]3CCC4(CCOCC4)O3)n2c1 ZINC000922812294 664615274 /nfs/dbraw/zinc/61/52/74/664615274.db2.gz YZXRWADPRCOCFN-HNNXBMFYSA-N 1 0 380.286 2.915 20 0 GFADRO Cn1ncc(I)c1C[NH2+]C[C@@H]1CCCC2(CCC2)O1 ZINC000922812782 664615277 /nfs/dbraw/zinc/61/52/77/664615277.db2.gz PDCMTHKILSFFFW-NSHDSACASA-N 1 0 375.254 2.606 20 0 GFADRO COC(=O)c1cnc(CC[NH2+]Cc2cc3c(c(Br)c2)OCO3)s1 ZINC000922840578 664616172 /nfs/dbraw/zinc/61/61/72/664616172.db2.gz ZQBAMSKDULREDF-UHFFFAOYSA-N 1 0 399.266 2.753 20 0 GFADRO C[N@@H+]1CCC[C@H](CCNC(=O)N2CCC[C@@H]2c2ncc(Br)cn2)C1 ZINC000922854421 664616690 /nfs/dbraw/zinc/61/66/90/664616690.db2.gz XYBROLIYVKKTBY-UKRRQHHQSA-N 1 0 396.333 2.818 20 0 GFADRO O=C([C@@H](O)c1cc(Cl)cc(Cl)c1)N1CCC([NH2+]C2CCOCC2)CC1 ZINC000922876159 664617250 /nfs/dbraw/zinc/61/72/50/664617250.db2.gz JYTSVDLVHNYEQL-KRWDZBQOSA-N 1 0 387.307 2.786 20 0 GFADRO O=C(c1cccc(Br)c1F)N1CCC([NH2+]C2CCOCC2)CC1 ZINC000922883004 664617442 /nfs/dbraw/zinc/61/74/42/664617442.db2.gz AWRGQIWAIAYENU-UHFFFAOYSA-N 1 0 385.277 2.961 20 0 GFADRO NC[C@H]([NH2+]C[C@H](O)COc1cc(F)cc(Br)c1)C1CCCCC1 ZINC000923371657 664629077 /nfs/dbraw/zinc/62/90/77/664629077.db2.gz CXBKMMZEDOJSSY-RDJZCZTQSA-N 1 0 389.309 2.825 20 0 GFADRO [NH3+]C[C@@H]1CN(C[C@@H](O)c2cccc(Br)c2)CC[C@H]1C(F)(F)F ZINC000923400750 664629908 /nfs/dbraw/zinc/62/99/08/664629908.db2.gz DRJTXBRDGIUTIU-MRVWCRGKSA-N 1 0 381.236 2.942 20 0 GFADRO [NH3+][C@@H]1CN(C[C@H](O)COc2c(Cl)cccc2Cl)CC[C@H]1C(F)(F)F ZINC000923431709 664630500 /nfs/dbraw/zinc/63/05/00/664630500.db2.gz WLSKAVNPBCSLEO-OPQQBVKSSA-N 1 0 387.229 2.945 20 0 GFADRO C[NH+](C)CCN(Cc1ccsc1)C(=O)NCc1cnc(Br)cn1 ZINC000923544521 664633572 /nfs/dbraw/zinc/63/35/72/664633572.db2.gz JBGXJVXDEMCQHY-UHFFFAOYSA-N 1 0 398.330 2.574 20 0 GFADRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2cnc(-c3ccccc3)s2)C[C@H]1C(F)(F)F ZINC000923673045 664635334 /nfs/dbraw/zinc/63/53/34/664635334.db2.gz YYDVWUBJLJJVJW-VXGBXAGGSA-N 1 0 391.440 2.568 20 0 GFADRO [NH3+]CC[C@@H]1CCN(S(=O)(=O)Cc2cccc(Cl)c2Br)C1 ZINC000923698520 664636201 /nfs/dbraw/zinc/63/62/01/664636201.db2.gz FLOKRJVHPYYRGE-SNVBAGLBSA-N 1 0 381.723 2.603 20 0 GFADRO COc1ccc2nc(Cl)ccc2c1S(=O)(=O)N1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923701591 664636475 /nfs/dbraw/zinc/63/64/75/664636475.db2.gz VTMIVDGSGOOXDM-VXGBXAGGSA-N 1 0 383.901 2.502 20 0 GFADRO Cc1csc(S(=O)(=O)N2C[C@H](C[C@H]3COCC[NH2+]3)c3ccccc32)c1 ZINC000923743422 664637514 /nfs/dbraw/zinc/63/75/14/664637514.db2.gz IQIQPPZXCMEDKP-GJZGRUSLSA-N 1 0 378.519 2.728 20 0 GFADRO COC(=O)[C@@H](OC(=O)COC1CC[NH+](C)CC1)c1ccc(Cl)c(Cl)c1 ZINC000923788584 664637959 /nfs/dbraw/zinc/63/79/59/664637959.db2.gz NNZNIRPDVMZSAH-INIZCTEOSA-N 1 0 390.263 2.862 20 0 GFADRO C[C@H](OC(=O)COC1CC[NH+](C)CC1)C(=O)Nc1cccc(Cl)c1Cl ZINC000923795554 664638093 /nfs/dbraw/zinc/63/80/93/664638093.db2.gz QEDIMXXWTRNMIQ-NSHDSACASA-N 1 0 389.279 2.974 20 0 GFADRO C[NH+](C)CCOc1ccccc1-c1noc(-c2ncc(Br)cn2)n1 ZINC000923885422 664639348 /nfs/dbraw/zinc/63/93/48/664639348.db2.gz CQNYGYIDTGDFJB-UHFFFAOYSA-N 1 0 390.241 2.897 20 0 GFADRO C[C@@H]([NH2+]C[C@H](c1cccs1)N1CCCC1)C1CCN(S(C)(=O)=O)CC1 ZINC000924531811 664656954 /nfs/dbraw/zinc/65/69/54/664656954.db2.gz OMRAHFIBEDSHID-NVXWUHKLSA-N 1 0 385.599 2.535 20 0 GFADRO O=S1(=O)CC[C@@H](C[NH2+][C@@H](c2ccc(Br)cc2)c2cccnc2)C1 ZINC000924599955 664658806 /nfs/dbraw/zinc/65/88/06/664658806.db2.gz PGBNWIMBZLKEMQ-GUYCJALGSA-N 1 0 395.322 2.958 20 0 GFADRO CCNC(=O)COc1ccc(C[NH2+][C@H](C)C2(Br)CC2)cc1OC ZINC000924688933 664659660 /nfs/dbraw/zinc/65/96/60/664659660.db2.gz QSOOGWGEDJAVDL-GFCCVEGCSA-N 1 0 385.302 2.616 20 0 GFADRO C[C@@H]([NH2+]Cc1ccc(Br)cc1)C1CCN(S(C)(=O)=O)CC1 ZINC000924829892 664662479 /nfs/dbraw/zinc/66/24/79/664662479.db2.gz UQUVNEGYEUVTNV-GFCCVEGCSA-N 1 0 375.332 2.599 20 0 GFADRO CCN(CC)S(=O)(=O)c1ccc(CC[NH2+][C@H](C)Cc2ccccn2)s1 ZINC000924945720 664664314 /nfs/dbraw/zinc/66/43/14/664664314.db2.gz HKFVEJXLZUWJDT-OAHLLOKOSA-N 1 0 381.567 2.937 20 0 GFADRO CCN(CC)S(=O)(=O)c1ccc(CC[NH2+]C2CC3(C2)CO[C@@H](C)C3)s1 ZINC000924947546 664664322 /nfs/dbraw/zinc/66/43/22/664664322.db2.gz RJCHBNDUJFOLDU-SYJJWHGVSA-N 1 0 386.583 2.868 20 0 GFADRO COc1ccc(Br)c(C(=O)NCCC[NH2+][C@@H](C)c2cn(C)cn2)c1 ZINC000925015694 664665188 /nfs/dbraw/zinc/66/51/88/664665188.db2.gz LNUHHEUYFUGMEF-LBPRGKRZSA-N 1 0 395.301 2.662 20 0 GFADRO O=C(N[C@@H]1CCO[C@@H](c2cccs2)C1)N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000925171794 664668079 /nfs/dbraw/zinc/66/80/79/664668079.db2.gz LZYAKZCQKIXKTB-QKPAOTATSA-N 1 0 381.567 2.847 20 0 GFADRO C[C@H]([NH2+]C1CCN(S(=O)(=O)c2ccccc2)CC1)C1(Br)CC1 ZINC000925183743 664668376 /nfs/dbraw/zinc/66/83/76/664668376.db2.gz ZSEFBVCWSWTAFF-ZDUSSCGKSA-N 1 0 387.343 2.745 20 0 GFADRO C[C@H]([NH2+]C1CCN(Cc2ccc(Br)cc2)CC1)c1cnnn1C ZINC000925278645 664669550 /nfs/dbraw/zinc/66/95/50/664669550.db2.gz YTVNCFZMKCUING-ZDUSSCGKSA-N 1 0 378.318 2.893 20 0 GFADRO O=S(=O)(N1CCC([NH2+][C@@H]2COCc3cccc(Cl)c32)CC1)C(F)(F)F ZINC000925267080 664669609 /nfs/dbraw/zinc/66/96/09/664669609.db2.gz UOPVTPVOLRTUFD-CYBMUJFWSA-N 1 0 398.834 2.815 20 0 GFADRO COc1cc(C[NH2+][C@H]2CCOC23CCOCC3)cc(Br)c1OC ZINC000925361023 664671020 /nfs/dbraw/zinc/67/10/20/664671020.db2.gz CRDOMRLRCGTHLO-HNNXBMFYSA-N 1 0 386.286 2.894 20 0 GFADRO C[C@H]([NH2+]CC1CCN(S(=O)(=O)C(F)F)CC1)c1ccnn1C1CCC1 ZINC000925398556 664671953 /nfs/dbraw/zinc/67/19/53/664671953.db2.gz XBYIBTNJIATCHU-LBPRGKRZSA-N 1 0 376.473 2.523 20 0 GFADRO O=C1NCC2(CCOCC2)[C@@H]1[NH2+]CCc1cc(Cl)ccc1Br ZINC000925576432 664673306 /nfs/dbraw/zinc/67/33/06/664673306.db2.gz LLQNXYKDNNXPSR-CQSZACIVSA-N 1 0 387.705 2.530 20 0 GFADRO CC[C@H](NC[C@]12CCC[C@H]1[NH2+]CC2)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000925841819 664675713 /nfs/dbraw/zinc/67/57/13/664675713.db2.gz UBRAIBUQWILZRN-CGTJXYLNSA-N 1 0 385.961 2.821 20 0 GFADRO C[NH2+]C[C@@H]1CCCCN1C(=O)Nc1cc2c(cc1Br)OCCO2 ZINC000925910029 664677284 /nfs/dbraw/zinc/67/72/84/664677284.db2.gz PRRSFYNOGGHXKI-NSHDSACASA-N 1 0 384.274 2.826 20 0 GFADRO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(C(=O)Nc1ccc(C)cc1Br)C2 ZINC000925905367 664677307 /nfs/dbraw/zinc/67/73/07/664677307.db2.gz XBBXLIVTJOBAQE-JKDFXYPNSA-N 1 0 396.285 2.502 20 0 GFADRO [NH3+][C@H]1CN(C(=O)Nc2cc3c(cc2Cl)OCCO3)CC[C@H]1C(F)(F)F ZINC000925930496 664677584 /nfs/dbraw/zinc/67/75/84/664677584.db2.gz UVSSGHWWXSYLRF-SCZZXKLOSA-N 1 0 379.766 2.855 20 0 GFADRO [NH3+]C[C@H]1CC2(CO1)CCN(C(=O)Nc1ccc(F)cc1Br)CC2 ZINC000925954514 664678078 /nfs/dbraw/zinc/67/80/78/664678078.db2.gz XNXPEFVIGJVBMJ-GFCCVEGCSA-N 1 0 386.265 2.950 20 0 GFADRO COC(=O)c1c(C)c(C)sc1NC(=O)N1CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000926005779 664679138 /nfs/dbraw/zinc/67/91/38/664679138.db2.gz XLYJSYHCSKBTBX-ZJUUUORDSA-N 1 0 379.404 2.895 20 0 GFADRO [NH3+]C1CCN(CCNC(=O)Nc2ccc(Cl)c(Br)c2)CC1 ZINC000926060358 664680299 /nfs/dbraw/zinc/68/02/99/664680299.db2.gz LXISPNPRUVOIFH-UHFFFAOYSA-N 1 0 375.698 2.647 20 0 GFADRO Cc1ccc(NC(=O)N2CCC3(CO[C@H](C[NH3+])C3)CC2)c(Br)n1 ZINC000926078068 664681039 /nfs/dbraw/zinc/68/10/39/664681039.db2.gz NOEBXLMWPXDYHE-LBPRGKRZSA-N 1 0 383.290 2.514 20 0 GFADRO [NH3+][C@]1(CO)CCCN(C(=O)Nc2ccc(C(F)(F)F)c(Br)c2)C1 ZINC000926099955 664681744 /nfs/dbraw/zinc/68/17/44/664681744.db2.gz PRBLIQYHFXDFGD-CYBMUJFWSA-N 1 0 396.207 2.785 20 0 GFADRO COC(=O)c1cc(F)c(Br)cc1NC(=O)N1CC[C@@H](CC[NH3+])C1 ZINC000926106800 664681962 /nfs/dbraw/zinc/68/19/62/664681962.db2.gz XFABDGWMUWQQCU-SECBINFHSA-N 1 0 388.237 2.577 20 0 GFADRO O=C(NC[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)Nc1cc(Cl)c(Cl)cc1F ZINC000926114837 664682049 /nfs/dbraw/zinc/68/20/49/664682049.db2.gz ZQGDKWIIPISUIX-VIFPVBQESA-N 1 0 390.242 2.939 20 0 GFADRO COc1cc(I)ccc1NC(=O)N1C[C@@H]([NH3+])C(C)(C)C1 ZINC000926131912 664682498 /nfs/dbraw/zinc/68/24/98/664682498.db2.gz HJQFQIFIXDVCAK-GFCCVEGCSA-N 1 0 389.237 2.501 20 0 GFADRO CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NC(=O)c1cscc1Br)C2 ZINC000926150712 664683094 /nfs/dbraw/zinc/68/30/94/664683094.db2.gz NKXBZBBBLRNCRA-HGTKMLMNSA-N 1 0 387.343 2.720 20 0 GFADRO CCS(=O)(=O)N1CCC(C[NH2+][C@H](C)c2cccc(Br)n2)CC1 ZINC000926161239 664683419 /nfs/dbraw/zinc/68/34/19/664683419.db2.gz STYAVYKHLZVJGC-GFCCVEGCSA-N 1 0 390.347 2.556 20 0 GFADRO CCS(=O)(=O)N1CCC(C[NH2+][C@@H](C)c2cccc(Br)n2)CC1 ZINC000926161241 664683428 /nfs/dbraw/zinc/68/34/28/664683428.db2.gz STYAVYKHLZVJGC-LBPRGKRZSA-N 1 0 390.347 2.556 20 0 GFADRO [NH3+]CC[C@H](NC(=O)N1CCc2cc(Br)c(F)cc2C1)C(F)(F)F ZINC000926167821 664683608 /nfs/dbraw/zinc/68/36/08/664683608.db2.gz CENKEWZDJBTCHT-LBPRGKRZSA-N 1 0 398.198 2.936 20 0 GFADRO Cc1cc(N2CC[C@H]([NH2+][C@H](C)C[C@H]3CCC(=O)N3)C2=O)ccc1Br ZINC000926185347 664684355 /nfs/dbraw/zinc/68/43/55/664684355.db2.gz WUOPOMIKRBBKEY-IOASZLSFSA-N 1 0 394.313 2.510 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)N[C@H](c2ccc(Cl)cc2Cl)C(F)(F)F)CCO1 ZINC000926202000 664684579 /nfs/dbraw/zinc/68/45/79/664684579.db2.gz AOQAPUXIZYELGG-JOYOIKCWSA-N 1 0 386.201 2.966 20 0 GFADRO C[NH2+]C[C@H]1CCN(C(=O)Nc2ccc(I)c(C)c2C)C1 ZINC000926203855 664684617 /nfs/dbraw/zinc/68/46/17/664684617.db2.gz SSNDWYWBHYCXKK-GFCCVEGCSA-N 1 0 387.265 2.981 20 0 GFADRO Cc1ccc(C[C@H](CO)C[NH2+][C@H]2C[C@H](C)n3ncnc32)cc1Br ZINC000926540073 664691780 /nfs/dbraw/zinc/69/17/80/664691780.db2.gz XHTLYULQMLKHMX-NOLJZWGESA-N 1 0 379.302 2.796 20 0 GFADRO COc1ccc(Br)cc1C[C@H](CO)C[NH2+][C@@H](C)c1nonc1C ZINC000926543523 664692155 /nfs/dbraw/zinc/69/21/55/664692155.db2.gz RIMJSUGVWIKSMZ-JQWIXIFHSA-N 1 0 384.274 2.651 20 0 GFADRO COc1ccc(Br)cc1C[C@@H](CO)C[NH2+][C@@H](C)c1nonc1C ZINC000926543521 664692159 /nfs/dbraw/zinc/69/21/59/664692159.db2.gz RIMJSUGVWIKSMZ-CMPLNLGQSA-N 1 0 384.274 2.651 20 0 GFADRO O=S1(=O)C[C@@H](C[NH2+][C@H]2CCCc3c(Cl)ccnc32)Oc2ccccc21 ZINC000926626067 664694127 /nfs/dbraw/zinc/69/41/27/664694127.db2.gz GOGGMTDVTWUNLW-DOMZBBRYSA-N 1 0 378.881 2.937 20 0 GFADRO C[C@@H]([NH2+]C[C@H](OC1CCCC1)C(F)(F)F)C1CCN(S(C)(=O)=O)CC1 ZINC000926688535 664695431 /nfs/dbraw/zinc/69/54/31/664695431.db2.gz FTXQXBYGIJLDLJ-DOMZBBRYSA-N 1 0 386.480 2.526 20 0 GFADRO C[C@@H]([NH2+]CC(C)(C)CC(F)(F)F)c1ccc(S(=O)(=O)CC(N)=O)cc1 ZINC000926735339 664696039 /nfs/dbraw/zinc/69/60/39/664696039.db2.gz UJKDJRBZGDCJFQ-LLVKDONJSA-N 1 0 380.432 2.575 20 0 GFADRO O=C1NCC2(CCOCC2)[C@H]1[NH2+]Cc1cc(Br)c2ccccc2c1 ZINC000926882829 664698456 /nfs/dbraw/zinc/69/84/56/664698456.db2.gz FBCHOASJWDHTJI-KRWDZBQOSA-N 1 0 389.293 2.987 20 0 GFADRO CN1CC[C@@H]([NH2+]C2CC(CC(N)=O)C2)C[C@H]1c1ccc(Br)cc1 ZINC000926885989 664698529 /nfs/dbraw/zinc/69/85/29/664698529.db2.gz CFFIFLJRJXMKMQ-IWPLNJTISA-N 1 0 380.330 2.828 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCC(=O)N(C2CC2)[C@H]1c1ccnn1C)C1(Br)CC1 ZINC000926886101 664698728 /nfs/dbraw/zinc/69/87/28/664698728.db2.gz BEXPPVDKJJDHCZ-NORZTCDRSA-N 1 0 381.318 2.520 20 0 GFADRO Cc1cc(CC[NH2+][C@@H](C)c2cc(S(N)(=O)=O)c(Cl)cc2Cl)nn1C ZINC000926911360 664699079 /nfs/dbraw/zinc/69/90/79/664699079.db2.gz OXMXDGKTWAZVHU-JTQLQIEISA-N 1 0 391.324 2.576 20 0 GFADRO CNS(=O)(=O)c1cccc([C@H](C)[NH2+]CC[C@H]2CC[C@@H](C(F)(F)F)O2)c1 ZINC000926911556 664699148 /nfs/dbraw/zinc/69/91/48/664699148.db2.gz MYXZFSQXDPLKIW-LNSITVRQSA-N 1 0 380.432 2.745 20 0 GFADRO CNS(=O)(=O)c1cccc([C@H](C)[NH2+]CC[C@@H]2CC[C@H](C(F)(F)F)O2)c1 ZINC000926911555 664699178 /nfs/dbraw/zinc/69/91/78/664699178.db2.gz MYXZFSQXDPLKIW-CORIIIEPSA-N 1 0 380.432 2.745 20 0 GFADRO CN(Cc1ncc(Br)cn1)C(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000926971467 664700167 /nfs/dbraw/zinc/70/01/67/664700167.db2.gz GILDAVRUYRJMLA-OAHLLOKOSA-N 1 0 389.297 2.720 20 0 GFADRO C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)S2(=O)=O)c1cc(Br)ncc1F ZINC000927039560 664702761 /nfs/dbraw/zinc/70/27/61/664702761.db2.gz OZZSTNAZIKTNPR-UBJLHIIHSA-N 1 0 377.279 2.742 20 0 GFADRO Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)[NH2+]C[C@H](O)CS(C)(=O)=O ZINC000927035319 664702774 /nfs/dbraw/zinc/70/27/74/664702774.db2.gz VELQTHYPCRSBIY-YGRLFVJLSA-N 1 0 388.942 2.828 20 0 GFADRO C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)S2(=O)=O)c1nc(Br)ccc1F ZINC000927037081 664702817 /nfs/dbraw/zinc/70/28/17/664702817.db2.gz BJDBVLHILCEGDW-UBJLHIIHSA-N 1 0 377.279 2.742 20 0 GFADRO Brc1ccc([C@H]([NH2+]CCO[C@@H]2CCOC2)c2cncnc2)cc1 ZINC000927079450 664703097 /nfs/dbraw/zinc/70/30/97/664703097.db2.gz DCJYFOSIZVCHOF-SJORKVTESA-N 1 0 378.270 2.724 20 0 GFADRO Cn1cc(CNC(=O)c2ccc(C[NH+]3CCCC3)cc2)c(Br)n1 ZINC000927631247 664712610 /nfs/dbraw/zinc/71/26/10/664712610.db2.gz OAYRJROARRXGTN-UHFFFAOYSA-N 1 0 377.286 2.708 20 0 GFADRO CSc1cc(Cl)ccc1NC(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000927840869 664716546 /nfs/dbraw/zinc/71/65/46/664716546.db2.gz DXWONYVUCRUTQP-ZJUUUORDSA-N 1 0 395.834 2.739 20 0 GFADRO [NH3+][C@@H]1CN(C(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)CC[C@@H]1C(F)(F)F ZINC000927846711 664716654 /nfs/dbraw/zinc/71/66/54/664716654.db2.gz DUSZWVAMVZHKPQ-GZMMTYOYSA-N 1 0 384.185 2.670 20 0 GFADRO [NH3+][C@H]1CN(C(=O)C(=O)Nc2ccc(Cl)cc2Cl)CC[C@@H]1C(F)(F)F ZINC000927847759 664716659 /nfs/dbraw/zinc/71/66/59/664716659.db2.gz MEFDNUSTYRISPD-WPRPVWTQSA-N 1 0 384.185 2.670 20 0 GFADRO COc1ccc(CC(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@@H]23)c(Cl)c1OC ZINC000928079538 664721841 /nfs/dbraw/zinc/72/18/41/664721841.db2.gz JAUYGTLHZWZZSH-KGLIPLIRSA-N 1 0 384.929 2.596 20 0 GFADRO O=C(N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12)c1c[nH]c2ncc(Br)cc12 ZINC000928086040 664722351 /nfs/dbraw/zinc/72/23/51/664722351.db2.gz LQVCUQZANLIKQZ-KGLIPLIRSA-N 1 0 395.326 2.635 20 0 GFADRO COc1ccc(Br)c(C(=O)N[C@H]2CCC[N@@H+]3CCSC[C@H]23)c1 ZINC000928102256 664723230 /nfs/dbraw/zinc/72/32/30/664723230.db2.gz LRDICVOSEYYXQC-LSDHHAIUSA-N 1 0 385.327 2.767 20 0 GFADRO C[NH+](C)CC[C@H](NC(=O)Cc1cccnc1Br)c1cccnc1 ZINC000928834730 664740653 /nfs/dbraw/zinc/74/06/53/664740653.db2.gz WCUQVJSXTUCHGX-HNNXBMFYSA-N 1 0 377.286 2.591 20 0 GFADRO O=C(NCC(F)(F)F)C1CC[NH+](C[C@H]2CCC[C@@H](C(F)(F)F)O2)CC1 ZINC000929166934 664747507 /nfs/dbraw/zinc/74/75/07/664747507.db2.gz XDGRFEMHPDSERE-NEPJUHHUSA-N 1 0 376.341 2.877 20 0 GFADRO O=C(c1cccc(Cl)c1Cl)N1CCN(C[C@@H]2C[C@@H]3COC[C@@H]3O2)CC1 ZINC000929277081 664749207 /nfs/dbraw/zinc/74/92/07/664749207.db2.gz QARKNFIXDUDHAB-WWGRRREGSA-N 1 0 385.291 2.555 20 0 GFADRO C[NH+](C)CC(C)(C)CNC(=O)c1cc(Br)cnc1Br ZINC000929460180 664752647 /nfs/dbraw/zinc/75/26/47/664752647.db2.gz XJXLIRIWUCOVQZ-UHFFFAOYSA-N 1 0 393.123 2.924 20 0 GFADRO COc1cccc([C@H](CNC(=O)c2c(C)[nH]nc2Br)[NH+](C)C)c1 ZINC000929468753 664752980 /nfs/dbraw/zinc/75/29/80/664752980.db2.gz YZMPTHSVURKWPX-ZDUSSCGKSA-N 1 0 381.274 2.522 20 0 GFADRO CCOC(=O)[C@H](c1nc(Br)sc1C)N1CCC[C@@H]([NH+](C)C)C1 ZINC000929486113 664753193 /nfs/dbraw/zinc/75/31/93/664753193.db2.gz ATIYDBGDXQCHAX-YPMHNXCESA-N 1 0 390.347 2.844 20 0 GFADRO O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)C1(n2cc(Br)cn2)CC1 ZINC000929526653 664753633 /nfs/dbraw/zinc/75/36/33/664753633.db2.gz UMNBPOSQYGPNOV-INIZCTEOSA-N 1 0 389.297 2.525 20 0 GFADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)Nc3ccc(F)cc3Br)CC2)C1 ZINC000929738756 664756889 /nfs/dbraw/zinc/75/68/89/664756889.db2.gz XOBZHNCMBAKYAJ-AWEZNQCLSA-N 1 0 399.308 2.832 20 0 GFADRO OCCCCN1CC[NH+](CCCCOc2ccc(Br)cc2)CC1 ZINC000930007168 664761287 /nfs/dbraw/zinc/76/12/87/664761287.db2.gz LLNDWXCTOLGDHE-UHFFFAOYSA-N 1 0 385.346 2.998 20 0 GFADRO COc1ccc(Br)c(NC(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)c1 ZINC000930075168 664762137 /nfs/dbraw/zinc/76/21/37/664762137.db2.gz BRXKFOLNACWTCD-CVEARBPZSA-N 1 0 398.301 2.521 20 0 GFADRO Cc1cc(CN2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)cnc1Br ZINC000930135517 664763255 /nfs/dbraw/zinc/76/32/55/664763255.db2.gz GFYSFEQLAUPRQZ-WBVHZDCISA-N 1 0 381.362 2.610 20 0 GFADRO COc1cc([C@@H](C)[NH2+]Cc2ccc(Br)nc2N)ccc1OCCO ZINC000930207893 664764602 /nfs/dbraw/zinc/76/46/02/664764602.db2.gz UFURDWVATVLDRD-LLVKDONJSA-N 1 0 396.285 2.657 20 0 GFADRO CC[C@H]([NH2+]C[C@@H]1CCC[C@@H](C(F)(F)F)O1)c1cccc(S(N)(=O)=O)c1 ZINC000930216986 664764659 /nfs/dbraw/zinc/76/46/59/664764659.db2.gz QDBUXZDUKJHVGT-QEJZJMRPSA-N 1 0 380.432 2.875 20 0 GFADRO CS(=O)(=O)N1CC(C[NH+]2CCC(c3cccc(Br)c3)CC2)C1 ZINC000930314207 664766795 /nfs/dbraw/zinc/76/67/95/664766795.db2.gz CKTKDQRSKWJBIX-UHFFFAOYSA-N 1 0 387.343 2.520 20 0 GFADRO O=C(NCC1CC[NH+](C[C@H]2CCC[C@H](C(F)(F)F)O2)CC1)C(F)(F)F ZINC000930309942 664766809 /nfs/dbraw/zinc/76/68/09/664766809.db2.gz YULDJQRPKRSBHU-VXGBXAGGSA-N 1 0 376.341 2.877 20 0 GFADRO O=C(NC[C@@H]1CC[N@@H+]1C1CCOCC1)Nc1cc(F)ccc1Br ZINC000930350766 664767808 /nfs/dbraw/zinc/76/78/08/664767808.db2.gz LDWHUBXBDQUPRI-ZDUSSCGKSA-N 1 0 386.265 2.963 20 0 GFADRO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)c1cc(Br)c2nccnc2c1 ZINC000930367698 664768448 /nfs/dbraw/zinc/76/84/48/664768448.db2.gz FIQMJNJBFOMZAB-LLVKDONJSA-N 1 0 375.270 2.606 20 0 GFADRO COCC[C@H]([NH2+]CC1CN(S(C)(=O)=O)C1)c1ccc(Cl)c(Cl)c1 ZINC000930370595 664768593 /nfs/dbraw/zinc/76/85/93/664768593.db2.gz NLDFZUNLNJZTMK-HNNXBMFYSA-N 1 0 381.325 2.552 20 0 GFADRO Cc1ccc(NC(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@@H]23)c(Br)n1 ZINC000930462670 664771154 /nfs/dbraw/zinc/77/11/54/664771154.db2.gz NHSDGQXSLFDXKC-YPMHNXCESA-N 1 0 385.331 2.854 20 0 GFADRO CC[N@H+](C)Cc1cccc(CNC(=O)c2cc(=O)n(C)cc2Br)c1 ZINC000930497207 664771815 /nfs/dbraw/zinc/77/18/15/664771815.db2.gz LAOMPMAPDINQQK-UHFFFAOYSA-N 1 0 392.297 2.530 20 0 GFADRO CC1(C)Cc2c(cccc2Br)[C@@H]1[NH2+]C[C@@H](O)C1(O)CCOCC1 ZINC000930553885 664773236 /nfs/dbraw/zinc/77/32/36/664773236.db2.gz ZJBDBPPGKPKESR-CVEARBPZSA-N 1 0 384.314 2.565 20 0 GFADRO COC(=O)c1c(Br)ccc(NC(=O)N2CC[C@H]3C[N@H+](C)C[C@@H]32)c1C ZINC000931080788 664784777 /nfs/dbraw/zinc/78/47/77/664784777.db2.gz KNPJYJKAFWFTEI-FZMZJTMJSA-N 1 0 396.285 2.712 20 0 GFADRO O=C(Nc1ccc(-c2nncs2)cc1)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000931240832 664789106 /nfs/dbraw/zinc/78/91/06/664789106.db2.gz LRLITFHAKGNZCD-CABCVRRESA-N 1 0 375.523 2.906 20 0 GFADRO O[C@@H](CN1CCC([N@@H+]2CCCOCC2)CC1)c1ccccc1Br ZINC000931285949 664790620 /nfs/dbraw/zinc/79/06/20/664790620.db2.gz FWFLKSJWKAISGA-SFHVURJKSA-N 1 0 383.330 2.669 20 0 GFADRO CNC(=O)c1cccc(NC(=O)N(C)[C@@H]2CC[N@@H+](C(C)C)C2)c1Br ZINC000931404698 664793967 /nfs/dbraw/zinc/79/39/67/664793967.db2.gz BCAYTZHDWNHORY-GFCCVEGCSA-N 1 0 397.317 2.755 20 0 GFADRO OCCCCC[NH+]1CCN(Cc2nc3cc(Br)ccc3[nH]2)CC1 ZINC000931497429 664796545 /nfs/dbraw/zinc/79/65/45/664796545.db2.gz QVWHCUOMYPFJAM-UHFFFAOYSA-N 1 0 381.318 2.606 20 0 GFADRO O=C(NC[C@H]1CC[N@@H+]1C1CCOCC1)Nc1nc(CC(F)(F)F)cs1 ZINC000931575283 664799207 /nfs/dbraw/zinc/79/92/07/664799207.db2.gz CYBHPNXDBMBOTB-GFCCVEGCSA-N 1 0 378.420 2.623 20 0 GFADRO CC[NH+](CC)C[C@@H]1CCN(C(=O)Nc2nc3cc(Br)ccn3n2)C1 ZINC000931647308 664801556 /nfs/dbraw/zinc/80/15/56/664801556.db2.gz CSNVVEIFTBPMLK-LBPRGKRZSA-N 1 0 395.305 2.687 20 0 GFADRO O[C@@H](C[NH2+]C1(c2cc(Cl)cc(Br)c2)CC1)C1(O)CCOCC1 ZINC000931698966 664803046 /nfs/dbraw/zinc/80/30/46/664803046.db2.gz WEUALCHIVAXKMN-AWEZNQCLSA-N 1 0 390.705 2.584 20 0 GFADRO O=C(Nc1cccc(Br)c1F)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000931950169 664807817 /nfs/dbraw/zinc/80/78/17/664807817.db2.gz JZWCZHPHDYNVHK-ZIAGYGMSSA-N 1 0 386.265 2.651 20 0 GFADRO C[C@@]1([C@H]2CCC[N@H+](CC(=O)Nc3ccc(Br)cc3)C2)COC(=O)N1 ZINC000932025170 664809041 /nfs/dbraw/zinc/80/90/41/664809041.db2.gz XFNYOZFMDYNYOI-SJCJKPOMSA-N 1 0 396.285 2.598 20 0 GFADRO C[C@]1([C@@H]2CCC[N@H+](C[C@@H](O)c3cccc(Br)c3)C2)COC(=O)N1 ZINC000932030218 664809184 /nfs/dbraw/zinc/80/91/84/664809184.db2.gz RBAYFEPVZQIQLY-FRFSOERESA-N 1 0 383.286 2.693 20 0 GFADRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)c1cnc(CCC(F)(F)F)s1 ZINC000932033485 664809304 /nfs/dbraw/zinc/80/93/04/664809304.db2.gz BAGSRWNHKHKFLO-LBPRGKRZSA-N 1 0 379.448 2.821 20 0 GFADRO Cn1nc(C(F)(F)F)c(NC(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@H]23)c1Cl ZINC000932089550 664809929 /nfs/dbraw/zinc/80/99/29/664809929.db2.gz SSVFRUULDUWKMV-RKDXNWHRSA-N 1 0 397.854 2.794 20 0 GFADRO Cc1ccc2[nH]c(C(=O)N[C@H](C)CN3CC[NH+](C)CC3)cc2c1Br ZINC000932186031 664812591 /nfs/dbraw/zinc/81/25/91/664812591.db2.gz LGVMXQKEIYSCTF-CYBMUJFWSA-N 1 0 393.329 2.605 20 0 GFADRO CN(C(=O)C[C@H]1C(=O)Nc2c1cccc2Br)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000932547919 664825533 /nfs/dbraw/zinc/82/55/33/664825533.db2.gz VFWGVEDOJMYAFV-GXTWGEPZSA-N 1 0 392.297 2.570 20 0 GFADRO Cc1ncc(NC(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c(C)c1Br ZINC000932785761 664838555 /nfs/dbraw/zinc/83/85/55/664838555.db2.gz LPIZTFMWJWHQAM-LSDHHAIUSA-N 1 0 397.317 2.524 20 0 GFADRO O=C1O[C@H](C[N@H+]2CCC[C@@](O)(c3ccc(Br)cc3)C2)CC12CC2 ZINC000932814166 664839689 /nfs/dbraw/zinc/83/96/89/664839689.db2.gz CJBPBGVQVTUUPU-YJBOKZPZSA-N 1 0 380.282 2.828 20 0 GFADRO O=S(=O)(CCCN1CCC(CO)(C(F)(F)F)CC1)c1ccc(F)cc1 ZINC000932827708 664841055 /nfs/dbraw/zinc/84/10/55/664841055.db2.gz GXOBEHGGMJYZLD-UHFFFAOYSA-N 1 0 383.407 2.626 20 0 GFADRO O=C1NC[C@@H](O)CC12CC[NH+](CC/C=C\c1ccc(Br)cc1)CC2 ZINC000932842095 664841647 /nfs/dbraw/zinc/84/16/47/664841647.db2.gz RGIAUMYZZJZMIK-MPXGXIRNSA-N 1 0 393.325 2.815 20 0 GFADRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C[C@@H]1C(=O)Nc2ccc(Br)cc21 ZINC000932907898 664842717 /nfs/dbraw/zinc/84/27/17/664842717.db2.gz LMXZZAJDAMYQPQ-DOMZBBRYSA-N 1 0 394.313 2.675 20 0 GFADRO C[NH+](C)CCN(Cc1ccsc1)C(=O)N[C@H]([C@@H]1CCOC1)C(F)(F)F ZINC000932993955 664846385 /nfs/dbraw/zinc/84/63/85/664846385.db2.gz OMQSFLBZZHWFLB-ZIAGYGMSSA-N 1 0 379.448 2.789 20 0 GFADRO O=C1NCC2(CCOCC2)[C@H]1[NH2+][C@@H]1CCCc2ccc(Br)cc21 ZINC000933034943 664847713 /nfs/dbraw/zinc/84/77/13/664847713.db2.gz MFARYDLTWYFXQN-CVEARBPZSA-N 1 0 379.298 2.711 20 0 GFADRO O=C(NCCC[NH+]1CCC(O)CC1)C(F)(F)c1cccc(Br)c1 ZINC000933131842 664850581 /nfs/dbraw/zinc/85/05/81/664850581.db2.gz FBLCDANFQLFGCK-UHFFFAOYSA-N 1 0 391.256 2.504 20 0 GFADRO O=C(N1CCC[N@@H+](C2CCCC2)CC1)C1(n2cc(Br)cn2)CC1 ZINC000933269666 664853897 /nfs/dbraw/zinc/85/38/97/664853897.db2.gz RWMVWWWJOAOQGN-UHFFFAOYSA-N 1 0 381.318 2.612 20 0 GFADRO CC(C)c1ncc(Br)c(C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)n1 ZINC000933335235 664859693 /nfs/dbraw/zinc/85/96/93/664859693.db2.gz VYLHMMJMIYSGTB-CYBMUJFWSA-N 1 0 381.318 2.920 20 0 GFADRO C[C@](CO)(Cc1ccccc1F)[NH2+]CC(=O)Nc1ccc(Br)cn1 ZINC000933435830 664863851 /nfs/dbraw/zinc/86/38/51/664863851.db2.gz WHIUNXNXPZAZHM-QGZVFWFLSA-N 1 0 396.260 2.505 20 0 GFADRO C[C@@](CO)(Cc1ccc(Cl)cc1)[NH2+]C[C@@H](O)c1cc(Br)no1 ZINC000933445557 664864876 /nfs/dbraw/zinc/86/48/76/664864876.db2.gz RCSHEIKCDRPFGG-DOMZBBRYSA-N 1 0 389.677 2.707 20 0 GFADRO COCCOc1ccc(NC(=O)NCC2([NH+](C)C)CC2)cc1Br ZINC000933983237 664884331 /nfs/dbraw/zinc/88/43/31/664884331.db2.gz LUFLOGUEQDQQDA-UHFFFAOYSA-N 1 0 386.290 2.690 20 0 GFADRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)c2cnc(Br)c(C)c2)C1 ZINC000934001400 664886340 /nfs/dbraw/zinc/88/63/40/664886340.db2.gz HEBKEZXYGRFTSU-OAHLLOKOSA-N 1 0 384.318 2.725 20 0 GFADRO C[C@H](C(=O)Nc1cccc(Cl)c1Cl)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000934259081 664894863 /nfs/dbraw/zinc/89/48/63/664894863.db2.gz DLLVHHBZKQYUAL-UHOFOFEASA-N 1 0 386.323 2.851 20 0 GFADRO COC1CC[NH+](CCNC(=O)C(F)(F)c2cccc(Br)c2)CC1 ZINC000934304792 664898084 /nfs/dbraw/zinc/89/80/84/664898084.db2.gz DDTKCPCHCQRDST-UHFFFAOYSA-N 1 0 391.256 2.768 20 0 GFADRO C[C@@H]([NH2+][C@H]1CCOC12CCOCC2)C(=O)Nc1cccc(Br)c1 ZINC000934409390 664906162 /nfs/dbraw/zinc/90/61/62/664906162.db2.gz VGMKMOYDRAKYGF-DOMZBBRYSA-N 1 0 383.286 2.704 20 0 GFADRO CN(C)[S@](C)(=O)=NCC1CC[NH+](C[C@@H]2CCC[C@@H](C(F)(F)F)O2)CC1 ZINC000934747254 664918069 /nfs/dbraw/zinc/91/80/69/664918069.db2.gz MJJZJZRLOHHLSS-XSKAOVLVSA-N 1 0 385.496 2.773 20 0 GFADRO NC(=O)CC1([NH2+]CCC(=O)Nc2ccccc2Br)CCCCC1 ZINC000934823111 664923977 /nfs/dbraw/zinc/92/39/77/664923977.db2.gz NGMQQEPARLUYOC-UHFFFAOYSA-N 1 0 382.302 2.946 20 0 GFADRO OC[C@H]([NH2+]CCC1CCOCC1)c1ccccc1I ZINC000934827447 664925040 /nfs/dbraw/zinc/92/50/40/664925040.db2.gz WCSRKEBSMPWRDB-HNNXBMFYSA-N 1 0 375.250 2.731 20 0 GFADRO O=C(NCCCC[N@H+]1CCC[C@@H]1CO)c1cc(F)cc(Br)c1F ZINC000934955644 664931848 /nfs/dbraw/zinc/93/18/48/664931848.db2.gz XBDDJCXELATXFF-GFCCVEGCSA-N 1 0 391.256 2.694 20 0 GFADRO C[NH+](C)CC1CCC(NC(=O)c2ccc3c(Br)cnn3c2)CC1 ZINC000935030410 664935066 /nfs/dbraw/zinc/93/50/66/664935066.db2.gz YRKBJAQIMQHKAX-UHFFFAOYSA-N 1 0 379.302 2.947 20 0 GFADRO Cc1ccc(Br)c2[nH]c(C(=O)NC3(CCO)CC[NH+](C)CC3)cc21 ZINC000935270139 664949766 /nfs/dbraw/zinc/94/97/66/664949766.db2.gz QFUFRIVUQXMUTB-UHFFFAOYSA-N 1 0 394.313 2.815 20 0 GFADRO C[C@H](NC(=O)C[C@@H]1C(=O)Nc2c1cccc2Br)C1=CC[N@H+](C)CC1 ZINC000935314082 664952816 /nfs/dbraw/zinc/95/28/16/664952816.db2.gz UIKZAKLSFWNFJB-FZMZJTMJSA-N 1 0 392.297 2.642 20 0 GFADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)C/C=C/c1ccc(Br)cc1 ZINC000935447228 664962411 /nfs/dbraw/zinc/96/24/11/664962411.db2.gz YJZNNCBTTKGMQM-CWDCEQMOSA-N 1 0 394.357 2.995 20 0 GFADRO C[NH+](C)CCc1ccc(CNC(=O)c2cc(=O)[nH]cc2Br)cc1 ZINC000935571213 664970789 /nfs/dbraw/zinc/97/07/89/664970789.db2.gz DPZBKGFWRILSHH-UHFFFAOYSA-N 1 0 378.270 2.584 20 0 GFADRO C[C@@H]1[C@H](C(=O)NC[C@@H]2CN(C(=O)c3csc(Cl)c3)C[C@H]2C)CC[N@@H+]1C ZINC000994084704 665022783 /nfs/dbraw/zinc/02/27/83/665022783.db2.gz MIGIEGZSYWRCDP-QHSBEEBCSA-N 1 0 383.945 2.566 20 0 GFADRO C[N@@H+]1CCCC[C@@H]1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccsc1Cl)C2 ZINC000996390098 665031541 /nfs/dbraw/zinc/03/15/41/665031541.db2.gz QMNJWVBRJJEEKB-UQOMUDLDSA-N 1 0 381.929 2.748 20 0 GFADRO Cc1csc(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)C[NH+]2CCCC2)C3)c1Cl ZINC000996561325 665032679 /nfs/dbraw/zinc/03/26/79/665032679.db2.gz CGUKLBRBOUSWIL-RDBSUJKOSA-N 1 0 381.929 2.667 20 0 GFADRO C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)c2csc(Cl)c2)CC[N@@H+]1C ZINC000997007685 665034524 /nfs/dbraw/zinc/03/45/24/665034524.db2.gz PREDLWJEOUNPSM-OLOXDWRXSA-N 1 0 381.929 2.603 20 0 GFADRO C[C@@H]1[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2sccc2Cl)C3)CC[N@@H+]1C ZINC000997298627 665035004 /nfs/dbraw/zinc/03/50/04/665035004.db2.gz DWRHKDXRCSKLLT-FPVZYODXSA-N 1 0 381.929 2.603 20 0 GFADRO C[NH+](C)[C@H](C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1sccc1Cl)C2)C1CC1 ZINC000997302824 665035278 /nfs/dbraw/zinc/03/52/78/665035278.db2.gz UQVPJXPIMRZEQO-UNQGMJICSA-N 1 0 381.929 2.603 20 0 GFADRO C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)c2cscc2Cl)C1 ZINC000998629719 665040662 /nfs/dbraw/zinc/04/06/62/665040662.db2.gz IEFCJQLBMBWETE-VZAMPYOESA-N 1 0 381.929 2.605 20 0 GFADRO C[C@H]1CCC[N@@H+]1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccsc1Cl ZINC001000459668 665046634 /nfs/dbraw/zinc/04/66/34/665046634.db2.gz OZCJKCWIZGUOFK-NEBZKDRISA-N 1 0 381.929 2.748 20 0 GFADRO O=C(N[C@H]1C[C@H]([NH2+]Cc2sccc2Br)C1)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001020406241 665073129 /nfs/dbraw/zinc/07/31/29/665073129.db2.gz OBPKUQDHLMWWHQ-UGMQXENJSA-N 1 0 397.338 2.671 20 0 GFADRO O=C([C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)N1CCC[C@H](C[NH2+]Cc2csc(Cl)n2)C1 ZINC001024070892 665074405 /nfs/dbraw/zinc/07/44/05/665074405.db2.gz XNQAAEGTTWYGSW-BAGFCZJQSA-N 1 0 381.929 2.548 20 0 GFADRO O=C([C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)N1C[C@@H]2C[N@H+](Cc3sccc3Cl)C[C@@H]2C1 ZINC001048947033 665077181 /nfs/dbraw/zinc/07/71/81/665077181.db2.gz LHXXSDZONBUFJG-ZKQCLBICSA-N 1 0 378.925 2.715 20 0 GFADRO C[C@@H](C(=O)Nc1ccccc1Br)N1CCC([N@H+](C)CCCO)CC1 ZINC000115546512 677395318 /nfs/dbraw/zinc/39/53/18/677395318.db2.gz PTRNQYDPNVXOSA-AWEZNQCLSA-N 1 0 398.345 2.555 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000120506055 677396482 /nfs/dbraw/zinc/39/64/82/677396482.db2.gz LVHWTCYUOFSBSQ-TZMCWYRMSA-N 1 0 382.302 2.637 20 0 GFADRO CC[NH+](CC)CCC[C@H](C)NC(=O)CNC(=O)c1cccc(Br)c1 ZINC000198120439 677404818 /nfs/dbraw/zinc/40/48/18/677404818.db2.gz NZNBLYQMZVDFOZ-AWEZNQCLSA-N 1 0 398.345 2.806 20 0 GFADRO C[C@]1(CNS(=O)(=O)c2ccc(Cl)nc2)CC[N@H+](Cc2ccccc2)C1 ZINC000386455049 677407598 /nfs/dbraw/zinc/40/75/98/677407598.db2.gz RWOGPPPONOWSAC-GOSISDBHSA-N 1 0 379.913 2.926 20 0 GFADRO O[C@H](C[NH2+]CCn1cc(Br)cn1)c1cccc(C(F)(F)F)c1 ZINC000390038601 677673025 /nfs/dbraw/zinc/67/30/25/677673025.db2.gz BGYCZHWKGXCDHT-CYBMUJFWSA-N 1 0 378.192 2.988 20 0 GFADRO COc1ccc([C@H](C)[NH2+]Cc2cccc(S(N)(=O)=O)c2)cc1Br ZINC000390324240 677673076 /nfs/dbraw/zinc/67/30/76/677673076.db2.gz QZMSMCREXDBITL-NSHDSACASA-N 1 0 399.310 2.956 20 0 GFADRO O[C@@H](C[NH2+]C1CCN(c2nccs2)CC1)COCc1ccc(Cl)cc1 ZINC000579824585 677673530 /nfs/dbraw/zinc/67/35/30/677673530.db2.gz NUHOPPDLHAMLCI-KRWDZBQOSA-N 1 0 381.929 2.933 20 0 GFADRO FC(F)(c1cnc(Cl)c(-c2ccncc2)c1)N1CC[C@@H]2[NH2+]CCO[C@H]2C1 ZINC001164388309 718825223 /nfs/dbraw/zinc/82/52/23/718825223.db2.gz ADKKUAULBQBHAH-HOTGVXAUSA-N 1 0 380.826 2.909 20 0 GFADRO Cc1cccc(-c2cc(C(F)(F)N3C[C@H]4C[NH2+]C[C@]4(CO)C3)c(Cl)nn2)c1 ZINC001164401587 718854776 /nfs/dbraw/zinc/85/47/76/718854776.db2.gz CBYOHWFMDVRUQG-RDTXWAMCSA-N 1 0 394.853 2.668 20 0 GFADRO FC(F)(c1cc(Cl)nc(-c2cccnc2)n1)N1CCO[C@@H]2C[NH2+]CC[C@@H]2C1 ZINC001164409910 718863825 /nfs/dbraw/zinc/86/38/25/718863825.db2.gz VHNLTOPRLMHSKM-ZIAGYGMSSA-N 1 0 395.841 2.552 20 0 GFADRO FC(F)(c1cc(Cl)nc(Cl)c1)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001164414884 718884871 /nfs/dbraw/zinc/88/48/71/718884871.db2.gz ACRXKAXKTUZBGY-UHFFFAOYSA-N 1 0 389.237 2.624 20 0 GFADRO CCOC(=O)c1cccnc1N1CCC([NH+]2CCC(C(=O)OCC)CC2)CC1 ZINC001164613805 719021957 /nfs/dbraw/zinc/02/19/57/719021957.db2.gz FLRAIHCLXYLASA-UHFFFAOYSA-N 1 0 389.496 2.502 20 0 GFADRO CCOC(=O)C1CC[NH+](C2CCN(c3ncnc4ccc(OC)cc43)CC2)CC1 ZINC001164614046 719023168 /nfs/dbraw/zinc/02/31/68/719023168.db2.gz LZSPUOMBVJXEPZ-UHFFFAOYSA-N 1 0 398.507 2.882 20 0 GFADRO CN1CCc2nc(Cl)nc(N3CC[C@@]4(C[NH2+]C[C@H]4c4ccccc4)C3)c2C1 ZINC001164618829 719048841 /nfs/dbraw/zinc/04/88/41/719048841.db2.gz BYUPTUHHPXVTNE-LAUBAEHRSA-N 1 0 383.927 2.701 20 0 GFADRO COC(OC)c1ccc(NC(=O)C(C)(C)C)c(N2C[C@@H](C)[N@H+](C)C[C@H]2C)n1 ZINC001164632294 719222766 /nfs/dbraw/zinc/22/27/66/719222766.db2.gz AWUDRQKYOSIEGF-ZIAGYGMSSA-N 1 0 378.517 2.886 20 0 GFADRO CCn1nnc2c1[C@@H](COC)CN(c1ccc([C@H]3CCCC[N@@H+]3CC)cn1)C2 ZINC001164662395 719362094 /nfs/dbraw/zinc/36/20/94/719362094.db2.gz BSJSIMATELKSOW-IEBWSBKVSA-N 1 0 384.528 2.990 20 0 GFADRO CCOC(=O)c1c(Cl)c2ccccc2nc1N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C ZINC001164672352 719434483 /nfs/dbraw/zinc/43/44/83/719434483.db2.gz QWPDEOCJBIFSDW-CABCVRRESA-N 1 0 375.856 2.584 20 0 GFADRO C[N@@H+]1CCO[C@H]2CN(c3nc(-c4ccc(Cl)s4)nc4c3CCC4)C[C@H]21 ZINC001164670737 719464630 /nfs/dbraw/zinc/46/46/30/719464630.db2.gz YDMNOVDDQGOURQ-KGLIPLIRSA-N 1 0 376.913 2.866 20 0 GFADRO CCOC(=O)c1cnc(-n2nc(CN(C)C(C)C)c3c2C[NH2+]CC3)c(Cl)c1 ZINC001164682900 719623166 /nfs/dbraw/zinc/62/31/66/719623166.db2.gz PRPDOWSHNHVJJA-UHFFFAOYSA-N 1 0 391.903 2.583 20 0 GFADRO COc1cc2ccc(-n3nc(CN(C)C(C)C)c4c3C[NH2+]CC4)nc2cc1OC ZINC001164681272 719626582 /nfs/dbraw/zinc/62/65/82/719626582.db2.gz FRLIYRZEROSPQY-UHFFFAOYSA-N 1 0 395.507 2.924 20 0 GFADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1cc(C)nc(-c3ccsc3)n1)CC2 ZINC001164689523 719744686 /nfs/dbraw/zinc/74/46/86/719744686.db2.gz GGFDSCSZDCXCEH-UHFFFAOYSA-N 1 0 385.537 2.694 20 0 GFADRO COc1cc(N2CCC3(CCC[N@@H+]3Cc3csc(C)n3)CC2)nc(OC)n1 ZINC001164691135 719805910 /nfs/dbraw/zinc/80/59/10/719805910.db2.gz DTDLRPQOPGZVEG-UHFFFAOYSA-N 1 0 389.525 2.894 20 0 GFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ncc(C)c(N3CCCC3)n1)C2 ZINC001164806364 720066789 /nfs/dbraw/zinc/06/67/89/720066789.db2.gz BRIFOEXWFWCWJT-UGKGYDQZSA-N 1 0 385.556 2.570 20 0 GFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ncc(Cl)cc1C(=O)OC)C2 ZINC001164814201 720075578 /nfs/dbraw/zinc/07/55/78/720075578.db2.gz VXDDYIJFJXEHGO-QRWLVFNGSA-N 1 0 393.915 2.706 20 0 GFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ncc3ccc(OC)cc3n1)C2 ZINC001164808003 720097351 /nfs/dbraw/zinc/09/73/51/720097351.db2.gz GZNJECIPAJUZIY-XMSQKQJNSA-N 1 0 382.508 2.823 20 0 GFADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nnc(C)cc1C)CC2 ZINC001164718598 720108893 /nfs/dbraw/zinc/10/88/93/720108893.db2.gz SZLNZRGPLUPQGO-FQEVSTJZSA-N 1 0 381.524 2.996 20 0 GFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(C(=O)OC)ccc1Cl)C2 ZINC001164815849 720124902 /nfs/dbraw/zinc/12/49/02/720124902.db2.gz WKSCBTWGVUYRFB-FOIQADDNSA-N 1 0 393.915 2.706 20 0 GFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1cncc(Cl)n1)C2 ZINC001164818864 720149258 /nfs/dbraw/zinc/14/92/58/720149258.db2.gz VBWOYUGUICZTIB-PBHICJAKSA-N 1 0 386.874 2.860 20 0 GFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cc(N3CCC[C@@H](C)C3)ncn1)C2 ZINC001164815625 720185321 /nfs/dbraw/zinc/18/53/21/720185321.db2.gz IPOXIRDOAKTCNP-QMHWCDLVSA-N 1 0 399.583 2.898 20 0 GFADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1nc(Cl)ccc1F)CCC2 ZINC001164811305 720216375 /nfs/dbraw/zinc/21/63/75/720216375.db2.gz FSZWEZIOBMEEAY-UHFFFAOYSA-N 1 0 379.867 2.681 20 0 GFADRO Cc1cc2cccnc2c(N2CCCn3c(=O)cc(C[N@@H+](C)C(C)C)nc3C2)n1 ZINC001164815149 720242221 /nfs/dbraw/zinc/24/22/21/720242221.db2.gz BFHGGPWGPBKIIW-UHFFFAOYSA-N 1 0 392.507 2.745 20 0 GFADRO Cc1cnc(N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c(Cl)c1 ZINC001164827923 720297092 /nfs/dbraw/zinc/29/70/92/720297092.db2.gz YOAXYKFAVJLDGX-QZTJIDSGSA-N 1 0 376.932 2.955 20 0 GFADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2ccc3cccnc3n2)CC1 ZINC001164821646 720314474 /nfs/dbraw/zinc/31/44/74/720314474.db2.gz LSNYLDMRYQGYNN-OALUTQOASA-N 1 0 379.508 2.541 20 0 GFADRO Cc1cc(N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc(C(C)C)n1 ZINC001164823587 720338148 /nfs/dbraw/zinc/33/81/48/720338148.db2.gz HEHLLGXOBJEJEZ-OALUTQOASA-N 1 0 385.556 2.820 20 0 GFADRO CC(C)Cc1cc(N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)ncn1 ZINC001164827879 720342141 /nfs/dbraw/zinc/34/21/41/720342141.db2.gz NAAWTBFMJQWUFG-UXHICEINSA-N 1 0 385.556 2.587 20 0 GFADRO COC(=O)c1ccc2cnc(N3CC[C@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)nc2c1 ZINC001164721608 720345251 /nfs/dbraw/zinc/34/52/51/720345251.db2.gz CLWORMQVFWSWGH-PMACEKPBSA-N 1 0 389.459 2.665 20 0 GFADRO COC(=O)c1ccc2ncnc(N3CC[C@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)c2c1 ZINC001164725164 720347369 /nfs/dbraw/zinc/34/73/69/720347369.db2.gz MBHGNKFZGSLGMA-PMACEKPBSA-N 1 0 389.459 2.665 20 0 GFADRO Cc1cnc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)nc1NC1CC1 ZINC001164841659 720505071 /nfs/dbraw/zinc/50/50/71/720505071.db2.gz ZHBYBWROAFGOIF-YZGWKJHDSA-N 1 0 395.555 2.934 20 0 GFADRO CN(C)c1ccc(-c2ccnc(N3Cc4nccn4C[C@H](C[NH+](C)C)C3)n2)cc1 ZINC001164732129 720521105 /nfs/dbraw/zinc/52/11/05/720521105.db2.gz CLVNGAHDOMWVER-KRWDZBQOSA-N 1 0 391.523 2.604 20 0 GFADRO C[NH+](C)C[C@H]1Cn2ccnc2CN(c2ccc(NC(=O)OC(C)(C)C)cn2)C1 ZINC001164735135 720522712 /nfs/dbraw/zinc/52/27/12/720522712.db2.gz USOGLOHAQOATKN-HNNXBMFYSA-N 1 0 386.500 2.823 20 0 GFADRO CC(C)[N@H+]1[C@@H]2CCN(c3nnc(Cl)cc3F)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164843038 720547051 /nfs/dbraw/zinc/54/70/51/720547051.db2.gz ZOOPJSVCZOJAGU-IJEWVQPXSA-N 1 0 378.883 2.843 20 0 GFADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ncc(OC(F)F)cn3)CC[C@@H]21 ZINC001164842139 720563738 /nfs/dbraw/zinc/56/37/38/720563738.db2.gz WVZYERCYJPAENP-VYDXJSESSA-N 1 0 392.454 2.652 20 0 GFADRO CCCN(CCC)c1cncc(N2CCc3ncc(C[NH+]4CCCC4)n3CC2)n1 ZINC001164728007 720573338 /nfs/dbraw/zinc/57/33/38/720573338.db2.gz HGFXSFOIVFGYFZ-UHFFFAOYSA-N 1 0 397.571 2.958 20 0 GFADRO Cc1nc2c(c(N3CC[C@@H]4[C@H](C[C@@H](Cn5cccn5)[N@H+]4C(C)C)C3)n1)CCC2 ZINC001164838820 720583758 /nfs/dbraw/zinc/58/37/58/720583758.db2.gz MAUIVUFEOBUOIS-LVCYWYKZSA-N 1 0 380.540 2.848 20 0 GFADRO CC(C)[N@H+]1[C@@H]2CCN(c3ccc(Cl)c[n+]3[O-])C[C@H]2C[C@H]1Cn1cccn1 ZINC001164839665 720589534 /nfs/dbraw/zinc/58/95/34/720589534.db2.gz OABKBPWTOLKWHT-BPQIPLTHSA-N 1 0 375.904 2.548 20 0 GFADRO CC(C)[N@H+]1[C@@H]2CCN(c3ccc(Cl)c[n+]3[O-])C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164839674 720591556 /nfs/dbraw/zinc/59/15/56/720591556.db2.gz OABKBPWTOLKWHT-RYQLBKOJSA-N 1 0 375.904 2.548 20 0 GFADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3cc(-c4nnco4)ccn3)CC[C@@H]21 ZINC001164837792 720617445 /nfs/dbraw/zinc/61/74/45/720617445.db2.gz JMJZXZIAKAUQNI-FHWLQOOXSA-N 1 0 393.495 2.706 20 0 GFADRO Cn1cnc2c1ncnc2N1CCC2(C[C@@H]([N@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164839907 720666347 /nfs/dbraw/zinc/66/63/47/720666347.db2.gz KSNFOQCZGNGAIK-GOSISDBHSA-N 1 0 392.507 2.623 20 0 GFADRO Cn1cnc2c1ncnc2N1CCC2(C[C@H]([N@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164839909 720666970 /nfs/dbraw/zinc/66/69/70/720666970.db2.gz KSNFOQCZGNGAIK-SFHVURJKSA-N 1 0 392.507 2.623 20 0 GFADRO c1ncn(C[C@@H]2C[C@H]3CN(c4ncnc5ccccc54)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164748833 720812843 /nfs/dbraw/zinc/81/28/43/720812843.db2.gz RPEACWRVJLZAPR-BBTUJRGHSA-N 1 0 389.507 2.601 20 0 GFADRO CC(C)c1ccc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nn1 ZINC001164737440 720823249 /nfs/dbraw/zinc/82/32/49/720823249.db2.gz BFDQRSSRIJSCRL-QWFCFKBJSA-N 1 0 381.528 2.571 20 0 GFADRO COCC[N@@H+]1CCO[C@@H]2CN(c3nc(SC)nc4sccc43)CC[C@@H]2C1 ZINC001164857167 720837598 /nfs/dbraw/zinc/83/75/98/720837598.db2.gz XYIXTMOHIKSOQB-UKRRQHHQSA-N 1 0 394.566 2.587 20 0 GFADRO CC(C)Cc1cc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)ncn1 ZINC001164741454 720850301 /nfs/dbraw/zinc/85/03/01/720850301.db2.gz FHSRJZAOMWDNTQ-CEWLAPEOSA-N 1 0 395.555 2.646 20 0 GFADRO COC(=O)c1c[nH]c2nc(N3CCn4c(C[N@H+](C)C(C)C)cnc4[C@@H]3C)ccc12 ZINC001164857054 720946196 /nfs/dbraw/zinc/94/61/96/720946196.db2.gz GHFFQUQSGWGMNY-AWEZNQCLSA-N 1 0 396.495 2.967 20 0 GFADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1[nH]c3cc(=O)[nH]c-3cc1Cl)[C@H]2C ZINC001164859306 720967877 /nfs/dbraw/zinc/96/78/77/720967877.db2.gz MMPKBVLDMCNEGG-LBPRGKRZSA-N 1 0 388.903 2.848 20 0 GFADRO COC(=O)c1nc(Cl)cc(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@@H]2C)n1 ZINC001164857283 721012073 /nfs/dbraw/zinc/01/20/73/721012073.db2.gz CFPGOKNPANTROB-LBPRGKRZSA-N 1 0 392.891 2.535 20 0 GFADRO F[C@H](Oc1ccnc(Cl)c1)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164866884 721068110 /nfs/dbraw/zinc/06/81/10/721068110.db2.gz GPCGXSYSUGSZAG-SUMDDJOVSA-N 1 0 392.862 2.737 20 0 GFADRO CC(C)(C)Oc1ccnc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164865795 721092661 /nfs/dbraw/zinc/09/26/61/721092661.db2.gz POMXDHISWDWTKK-QZTJIDSGSA-N 1 0 383.496 2.529 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4ncnc5c(Cl)cccc54)C[C@H]3C2)cn1 ZINC001164762127 721093074 /nfs/dbraw/zinc/09/30/74/721093074.db2.gz CNYZDUBJFAKZAM-HZPDHXFCSA-N 1 0 382.899 2.975 20 0 GFADRO COc1ccc2c(ccnc2N2C[C@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)c1 ZINC001164761680 721095786 /nfs/dbraw/zinc/09/57/86/721095786.db2.gz CMWGITVRYRYXSB-RTBURBONSA-N 1 0 377.492 2.935 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4nnc(Cl)c5c4CCCC5)C[C@@H]3C2)cn1 ZINC001164762143 721117587 /nfs/dbraw/zinc/11/75/87/721117587.db2.gz CDCCLSLZWIAAGZ-CVEARBPZSA-N 1 0 386.931 2.701 20 0 GFADRO Cc1csc2cnc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)nc12 ZINC001164870238 721129391 /nfs/dbraw/zinc/12/93/91/721129391.db2.gz CAFOZRGSWMRQGP-DLBZAZTESA-N 1 0 381.505 2.874 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN([C@H](F)Oc4ccc(Cl)nc4)C[C@@H]3C2)cn1 ZINC001164763349 721132201 /nfs/dbraw/zinc/13/22/01/721132201.db2.gz FGHWLZAAZWMVHG-VKJFTORMSA-N 1 0 379.867 2.554 20 0 GFADRO Cc1cc2cccnc2c(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164876428 721171281 /nfs/dbraw/zinc/17/12/81/721171281.db2.gz MJLABILMSUAZMG-PMACEKPBSA-N 1 0 375.476 2.813 20 0 GFADRO Cc1cccc2ccc(N3CCC4(CC3)COCC[N@@H+](CC(=O)N(C)C)C4)nc12 ZINC001164871887 721261075 /nfs/dbraw/zinc/26/10/75/721261075.db2.gz BGKWCVNOMXYKMW-UHFFFAOYSA-N 1 0 396.535 2.550 20 0 GFADRO Cc1nc2ccccc2c(N2CC[C@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)n1 ZINC001164894107 721394595 /nfs/dbraw/zinc/39/45/95/721394595.db2.gz XSHFMTYOCNXNQA-CVDCTZTESA-N 1 0 395.551 2.704 20 0 GFADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4nccc(C(C)(C)C)n4)C3)O2)CC1 ZINC001164892602 721404375 /nfs/dbraw/zinc/40/43/75/721404375.db2.gz YYWKJKARRNJKPR-PGRDOPGGSA-N 1 0 387.572 2.540 20 0 GFADRO Cc1ccnc(N2CC[C@@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)c1Cl ZINC001164885840 721405227 /nfs/dbraw/zinc/40/52/27/721405227.db2.gz HQKJHMZJCNYRHN-FXAWDEMLSA-N 1 0 378.948 2.809 20 0 GFADRO Cc1nc(Cl)c(N2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)nc1C ZINC001164883482 721413028 /nfs/dbraw/zinc/41/30/28/721413028.db2.gz ABXMZWQXQUUWNG-YLJYHZDGSA-N 1 0 393.963 2.512 20 0 GFADRO Cc1cc(C(C)C)nc(N2CC[C@@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)n1 ZINC001164891366 721448471 /nfs/dbraw/zinc/44/84/71/721448471.db2.gz UMKBNZFVFIMHPP-SIKLNZKXSA-N 1 0 387.572 2.674 20 0 GFADRO Fc1cccnc1OC[C@@]12COC[C@@H]1CN(c1ccc(C[NH+]3CCCC3)cn1)C2 ZINC001164793345 721487651 /nfs/dbraw/zinc/48/76/51/721487651.db2.gz QPLLDHDLRZBOHQ-PGRDOPGGSA-N 1 0 398.482 2.743 20 0 GFADRO O=C(NC1CCC1)[C@H]1COC2(C1)CCN(c1ncccc1C[NH+]1CCCC1)CC2 ZINC001164897393 721491357 /nfs/dbraw/zinc/49/13/57/721491357.db2.gz CWVFQKDYIZHYGQ-LJQANCHMSA-N 1 0 398.551 2.722 20 0 GFADRO CCN(C)c1cc(C)nc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)n1 ZINC001164900540 721508142 /nfs/dbraw/zinc/50/81/42/721508142.db2.gz SAZUTEGSWFJLCG-IEBWSBKVSA-N 1 0 385.487 2.722 20 0 GFADRO COC(=O)c1cc(C)nc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)c1 ZINC001164896853 721511630 /nfs/dbraw/zinc/51/16/30/721511630.db2.gz BOVNKMHQVPNQPD-HKUYNNGSSA-N 1 0 385.439 2.658 20 0 GFADRO Fc1cccc(O[C@H]2C[C@@H]3CN(c4nc(Cl)nc5c4COC5)CC[N@@H+]3C2)c1 ZINC001164901044 721524189 /nfs/dbraw/zinc/52/41/89/721524189.db2.gz WEUGUKYFLJQNCG-HIFRSBDPSA-N 1 0 390.846 2.641 20 0 GFADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)nc3cc[nH]c32)[C@@H]2CCCO[C@@H]12 ZINC001164794397 721524310 /nfs/dbraw/zinc/52/43/10/721524310.db2.gz CVFUCVWBYURYRN-JFIYKMOQSA-N 1 0 398.898 2.875 20 0 GFADRO CN(C)c1cc(Cl)nc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)n1 ZINC001164905866 721537185 /nfs/dbraw/zinc/53/71/85/721537185.db2.gz JKEXJGQZAOAPKA-GOEBONIOSA-N 1 0 391.878 2.677 20 0 GFADRO CCN(CC)c1cncc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)n1 ZINC001164903471 721544960 /nfs/dbraw/zinc/54/49/60/721544960.db2.gz CWOYBWJJGMBALB-PKOBYXMFSA-N 1 0 385.487 2.804 20 0 GFADRO Fc1cccc(O[C@@H]2C[C@@H]3CN(c4nccnc4OC4CCC4)CC[N@@H+]3C2)c1 ZINC001164910377 721563042 /nfs/dbraw/zinc/56/30/42/721563042.db2.gz WNAFYVBHINGGGU-VQIMIIECSA-N 1 0 384.455 2.889 20 0 GFADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc3ccc(Cl)nc3[nH]2)[C@@H]2CCCO[C@H]12 ZINC001164806280 721571578 /nfs/dbraw/zinc/57/15/78/721571578.db2.gz PQKARDQEEGYJCR-NUJGCVRESA-N 1 0 398.898 2.875 20 0 GFADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3C(=O)N(CCOC)C[C@@H]3C2)nc1 ZINC001164900893 721576110 /nfs/dbraw/zinc/57/61/10/721576110.db2.gz AXCNMEPHCPRFRM-HSALFYBXSA-N 1 0 386.540 2.560 20 0 GFADRO COc1ncnc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)c1C ZINC001164908503 721701212 /nfs/dbraw/zinc/70/12/12/721701212.db2.gz ZONJTQXJONBSJN-IBGZPJMESA-N 1 0 389.450 2.926 20 0 GFADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2cnc3cccc(Cl)c3n2)CC1 ZINC001165008816 721733231 /nfs/dbraw/zinc/73/32/31/721733231.db2.gz RPEQIESQLWEYQR-UHFFFAOYSA-N 1 0 387.915 2.806 20 0 GFADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2nnc(Cl)c3ccsc32)CC1 ZINC001165010181 721734108 /nfs/dbraw/zinc/73/41/08/721734108.db2.gz FHDUUOMYSXSKSG-UHFFFAOYSA-N 1 0 393.944 2.868 20 0 GFADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2ncnc3[nH]c4ccccc4c32)CC1 ZINC001165011150 721739012 /nfs/dbraw/zinc/73/90/12/721739012.db2.gz NLFBLACOBINRNQ-UHFFFAOYSA-N 1 0 392.507 2.634 20 0 GFADRO CCOC(=O)c1cncnc1N1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165027742 721798643 /nfs/dbraw/zinc/79/86/43/721798643.db2.gz XPMHYKVNAOKJCO-DBVUQKKJSA-N 1 0 395.507 2.785 20 0 GFADRO CCOC(=O)c1cncnc1N1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165027747 721798784 /nfs/dbraw/zinc/79/87/84/721798784.db2.gz XPMHYKVNAOKJCO-VDGAXYAQSA-N 1 0 395.507 2.785 20 0 GFADRO Cc1nc2nc(N3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)ncc2[nH]1 ZINC001165025461 721819058 /nfs/dbraw/zinc/81/90/58/721819058.db2.gz MVYMKQFWYQWITL-IEZWGBDMSA-N 1 0 377.496 2.745 20 0 GFADRO Cc1cc(OCc2ccccc2)nc(N2CC[C@@H]3[C@H]2CCN3CC[NH+](C)C)n1 ZINC001164934840 721886186 /nfs/dbraw/zinc/88/61/86/721886186.db2.gz UVVCYIWELLTQDS-WOJBJXKFSA-N 1 0 381.524 2.579 20 0 GFADRO C(C[NH+]1CCCC1)[C@@H]1CCCCN1c1nc(N2CCCC2)nc(N2CCCC2)n1 ZINC001165050473 721975376 /nfs/dbraw/zinc/97/53/76/721975376.db2.gz YKYDAAHIDKLEBB-IBGZPJMESA-N 1 0 399.587 2.917 20 0 GFADRO Clc1[n-][nH+]c(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)c2ncnc1-2 ZINC001164955237 722019612 /nfs/dbraw/zinc/01/96/12/722019612.db2.gz BFKVIHCPXNREQP-UHFFFAOYSA-N 1 0 383.887 2.894 20 0 GFADRO c1cc(C[N@@H+]2CCOCC3(CCN(c4ncnc5cnccc54)CC3)C2)ccn1 ZINC001164961921 722053360 /nfs/dbraw/zinc/05/33/60/722053360.db2.gz YSBVYELNZNWEFA-UHFFFAOYSA-N 1 0 390.491 2.539 20 0 GFADRO CC(C)Oc1cccc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164983081 722124840 /nfs/dbraw/zinc/12/48/40/722124840.db2.gz YAVDCBMWJZUHOU-PMACEKPBSA-N 1 0 382.508 2.991 20 0 GFADRO CCN(CC)c1ccnc([C@@H]2COCCN2c2ncccc2C[NH+]2CCCC2)n1 ZINC001164998610 722227456 /nfs/dbraw/zinc/22/74/56/722227456.db2.gz CVUUCJZCDPHHMN-IBGZPJMESA-N 1 0 396.539 2.892 20 0 GFADRO C[NH+](C)CCOCc1ncn2c1CN([C@H](F)Oc1cccc(Cl)n1)CCC2 ZINC001165002941 722253474 /nfs/dbraw/zinc/25/34/74/722253474.db2.gz XTNJKGUXPJQCCE-SFHVURJKSA-N 1 0 397.882 2.548 20 0 GFADRO CSc1cnc(Cl)nc1N1CCCn2cnc(COCC[NH+](C)C)c2C1 ZINC001165001920 722254279 /nfs/dbraw/zinc/25/42/79/722254279.db2.gz JGTYGJYPGLFIOB-UHFFFAOYSA-N 1 0 396.948 2.537 20 0 GFADRO COc1ccc([C@@H]2CCCN2C(=O)C[NH2+][C@@]2(C)CCO[C@@H]2C2CC2)c(OC)c1 ZINC000359956253 209208159 /nfs/dbraw/zinc/20/81/59/209208159.db2.gz DGLSBMVSHHUQNX-BWAGFHJFSA-N 1 0 388.508 2.915 20 0 GFADRO C[N@@H+]1CC[C@H](CNS(=O)(=O)c2ccc(N)cc2)[C@@H]1c1cccc(Cl)c1 ZINC000359899051 209199930 /nfs/dbraw/zinc/19/99/30/209199930.db2.gz MPEOWCDLPIKVIH-KDOFPFPSSA-N 1 0 379.913 2.894 20 0 GFADRO Cc1ccc(C[NH2+]C[C@@H]2CCC[C@]23NC(=O)N(C)C3=O)c(Br)c1 ZINC000359866834 209198147 /nfs/dbraw/zinc/19/81/47/209198147.db2.gz GOADEOFZAWCFAJ-GUYCJALGSA-N 1 0 380.286 2.568 20 0 GFADRO COC[C@](C)(O)C[NH2+]Cc1cc(Br)c(OC)c(Br)c1 ZINC000394550572 563530054 /nfs/dbraw/zinc/53/00/54/563530054.db2.gz AYYHFLNEPOBXAB-CYBMUJFWSA-N 1 0 397.107 2.707 20 0 GFADRO COc1ccccc1/C=C/C[NH2+]C[C@@H]1CC(=O)N(C)[C@H]1c1c(C)nn(C)c1C ZINC000328617934 209148659 /nfs/dbraw/zinc/14/86/59/209148659.db2.gz DFUGEUJEHASBCH-VACYZGCOSA-N 1 0 382.508 2.868 20 0 GFADRO CC[C@H]1C[C@@H](C(=O)N(C)C[C@@H]2CCC[N@H+](CC)[C@H]2c2cnn(C)c2)CCO1 ZINC000328616397 209146223 /nfs/dbraw/zinc/14/62/23/209146223.db2.gz BPBDHUYLOZFACW-QGZVKYPTSA-N 1 0 376.545 2.857 20 0 GFADRO O=C(N[C@@H]1CS(=O)(=O)Cc2ccccc21)c1ccc(C[NH+]2CCCC2)cc1 ZINC000077978229 211147521 /nfs/dbraw/zinc/14/75/21/211147521.db2.gz PGJBSNBWUITRGS-HXUWFJFHSA-N 1 0 384.501 2.682 20 0 GFADRO C[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2F)[C@H]1CC[NH3+] ZINC000405248960 563538760 /nfs/dbraw/zinc/53/87/60/563538760.db2.gz ISUISEWZNFDSHS-MFKMUULPSA-N 1 0 379.295 2.726 20 0 GFADRO C[C@@H]([NH2+]CCC1CCOCC1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430711067 563548181 /nfs/dbraw/zinc/54/81/81/563548181.db2.gz VJACMDDTSVMBEQ-LLVKDONJSA-N 1 0 391.331 2.564 20 0 GFADRO CC[NH+](CC)CC[C@@H](CO)NC(=O)Nc1cc(Br)ccc1OC ZINC000439047326 563716233 /nfs/dbraw/zinc/71/62/33/563716233.db2.gz MWAWZLCNUUAWFG-ZDUSSCGKSA-N 1 0 388.306 2.672 20 0 GFADRO CCC[NH+]1CCC(NS(=O)(=O)c2cc(Br)ccc2C)CC1 ZINC000040418873 551134278 /nfs/dbraw/zinc/13/42/78/551134278.db2.gz XMZJSLBTNARDOO-UHFFFAOYSA-N 1 0 375.332 2.910 20 0 GFADRO C[NH+](C)CCN(C1CCCC1)S(=O)(=O)c1cccc(Br)c1 ZINC000040692144 551134998 /nfs/dbraw/zinc/13/49/98/551134998.db2.gz AUHIJBQYZSSQHG-UHFFFAOYSA-N 1 0 375.332 2.944 20 0 GFADRO CCN1CC[NH+](CCCCNC(=O)Nc2cccc(Br)c2)CC1 ZINC000043134307 551141153 /nfs/dbraw/zinc/14/11/53/551141153.db2.gz OYLBGVSUVHARDI-UHFFFAOYSA-N 1 0 383.334 2.988 20 0 GFADRO C[C@@H](CNS(=O)(=O)c1ccccc1OC(F)(F)F)[N@@H+]1CCC[C@@H](C)C1 ZINC000045744929 551148034 /nfs/dbraw/zinc/14/80/34/551148034.db2.gz YLTHVEYEWLYKSY-OLZOCXBDSA-N 1 0 380.432 2.984 20 0 GFADRO CN(Cc1ccc(Cl)s1)C(=O)C[N@@H+]1CCC[C@H](C(=O)NCC2CC2)C1 ZINC000047980262 551155174 /nfs/dbraw/zinc/15/51/74/551155174.db2.gz QXLIIKGKJDRUCU-AWEZNQCLSA-N 1 0 383.945 2.598 20 0 GFADRO CNC(=O)COc1cccc(C[NH2+]Cc2ccc(OC)c(Br)c2)c1 ZINC000048778650 551157430 /nfs/dbraw/zinc/15/74/30/551157430.db2.gz LTUKMBGBIHOHCB-UHFFFAOYSA-N 1 0 393.281 2.872 20 0 GFADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)CNC(=O)C(C)(C)C ZINC000056996996 551179270 /nfs/dbraw/zinc/17/92/70/551179270.db2.gz NMFMAVYPMYVORB-UHFFFAOYSA-N 1 0 398.345 2.502 20 0 GFADRO C[NH+]1CCN(C[C@@H](Nc2ncc(Br)cn2)c2ccccc2)CC1 ZINC000067371736 551188104 /nfs/dbraw/zinc/18/81/04/551188104.db2.gz UQVYZNZPORGPAX-MRXNPFEDSA-N 1 0 376.302 2.640 20 0 GFADRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)Nc1ccccc1Br ZINC000067439518 551188792 /nfs/dbraw/zinc/18/87/92/551188792.db2.gz YASAQBGUUVCOLP-MGPQQGTHSA-N 1 0 396.329 2.870 20 0 GFADRO C[C@H](NC(=O)C[NH+]1CCC(C2OCCO2)CC1)c1ccc(Br)cc1 ZINC000110081887 551202086 /nfs/dbraw/zinc/20/20/86/551202086.db2.gz DZOAAYOTVZEVSA-ZDUSSCGKSA-N 1 0 397.313 2.711 20 0 GFADRO C[C@H]1CCCC[N@@H+]1CCNC(=O)c1cc(=O)c2cc(Br)ccc2[nH]1 ZINC000112629667 551206088 /nfs/dbraw/zinc/20/60/88/551206088.db2.gz AJLZUBNOGIKDBN-LBPRGKRZSA-N 1 0 392.297 2.895 20 0 GFADRO C[NH+](C)[C@@H]1CCCN(S(=O)(=O)c2cc(Br)ccc2Cl)C1 ZINC000116346829 551212914 /nfs/dbraw/zinc/21/29/14/551212914.db2.gz KRTOEQIDCGRSMO-LLVKDONJSA-N 1 0 381.723 2.817 20 0 GFADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)c3ccc(Br)c(C)c3)C2)CC1 ZINC000119150688 551215553 /nfs/dbraw/zinc/21/55/53/551215553.db2.gz YGFDFVAGARXCPD-MRXNPFEDSA-N 1 0 380.330 2.610 20 0 GFADRO Cc1cccc(NC(=O)C(=O)NC[C@@H](C)C[NH+]2CCCC2)c1Br ZINC000120968109 551223587 /nfs/dbraw/zinc/22/35/87/551223587.db2.gz OZLDXHLJSKDWNO-GFCCVEGCSA-N 1 0 382.302 2.544 20 0 GFADRO CN(CCC[NH+](C)C)C(=O)C(=O)Nc1ccccc1SCC(F)(F)F ZINC000121087616 551226888 /nfs/dbraw/zinc/22/68/88/551226888.db2.gz AETPOECZBXHSQZ-UHFFFAOYSA-N 1 0 377.432 2.690 20 0 GFADRO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CCOC[C@H]1CCCO1 ZINC000121175908 551228672 /nfs/dbraw/zinc/22/86/72/551228672.db2.gz UUIZODBKQMMDDN-CZUORRHYSA-N 1 0 385.302 2.951 20 0 GFADRO Cc1c(Br)cccc1NC(=O)C(=O)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000121888488 551244762 /nfs/dbraw/zinc/24/47/62/551244762.db2.gz GBANBSHZOHWOLQ-CYBMUJFWSA-N 1 0 396.329 2.934 20 0 GFADRO C[C@@H](CNC(=O)c1ccc(Cl)cc1Br)C[NH+]1CCN(C)CC1 ZINC000121882876 551244817 /nfs/dbraw/zinc/24/48/17/551244817.db2.gz GLXWBHIQTLGCFM-LBPRGKRZSA-N 1 0 388.737 2.716 20 0 GFADRO CC(C)[N@H+]1C[C@H](NC(=O)Nc2cccc(S(=O)(=O)C(F)F)c2)[C@@H](C)C1 ZINC000122242416 551296200 /nfs/dbraw/zinc/29/62/00/551296200.db2.gz IVJJCTRCWUHPLF-FZMZJTMJSA-N 1 0 375.441 2.533 20 0 GFADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)c2cc(Br)ccc2F)CC1 ZINC000122359436 551297381 /nfs/dbraw/zinc/29/73/81/551297381.db2.gz NNPOZNGVLOKZCV-ZDUSSCGKSA-N 1 0 386.309 2.592 20 0 GFADRO CSCC[C@@H]([NH3+])C(=O)N[C@H](C)c1nc(-c2ccc(Br)cc2)no1 ZINC000122565599 551300198 /nfs/dbraw/zinc/30/01/98/551300198.db2.gz NYNPCIRIJQGZHO-BXKDBHETSA-N 1 0 399.314 2.757 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCCCN1S(=O)(=O)c1cc(Br)ccc1Cl ZINC000123066207 551302759 /nfs/dbraw/zinc/30/27/59/551302759.db2.gz DOAIAZIWRLFNTB-JOYOIKCWSA-N 1 0 381.723 2.993 20 0 GFADRO C[NH+](C)C(C)(C)CNC(=O)[C@@H]1CCCN1C(=O)c1ccc(Br)cc1 ZINC000123886278 551309922 /nfs/dbraw/zinc/30/99/22/551309922.db2.gz OPADHDRKPOIODI-HNNXBMFYSA-N 1 0 396.329 2.510 20 0 GFADRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)CS(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000124475280 551315400 /nfs/dbraw/zinc/31/54/00/551315400.db2.gz OIXGSDBKQWRXCA-HNNXBMFYSA-N 1 0 386.945 2.598 20 0 GFADRO Cc1cc(I)ccc1NC(=O)[C@H]1CCn2ccnc2C1 ZINC000125999292 551325435 /nfs/dbraw/zinc/32/54/35/551325435.db2.gz GQCIFUFOVBAAKF-NSHDSACASA-N 1 0 381.217 2.997 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+]C[C@H]1CCCS1(=O)=O ZINC000126833269 551333436 /nfs/dbraw/zinc/33/34/36/551333436.db2.gz AZMLWGDJRQLYLB-MRXNPFEDSA-N 1 0 398.326 2.610 20 0 GFADRO Cc1nc(CCC(=O)N[C@H]2CC[NH2+]C2)oc1-c1ccc(Br)cc1 ZINC000126881132 551333933 /nfs/dbraw/zinc/33/39/33/551333933.db2.gz RXMLGAZCDLDHLG-AWEZNQCLSA-N 1 0 378.270 2.823 20 0 GFADRO C[NH+]1CCC(CNC(=O)[C@@H]2CC(=O)N(c3cc(Cl)cc(Cl)c3)C2)CC1 ZINC000127623844 551342369 /nfs/dbraw/zinc/34/23/69/551342369.db2.gz VDYZLAUYHNYPAO-CYBMUJFWSA-N 1 0 384.307 2.804 20 0 GFADRO COc1ccc(I)c(NC(=O)N2C[C@@H](C)[NH2+]C[C@H]2C)c1 ZINC000415075106 563758844 /nfs/dbraw/zinc/75/88/44/563758844.db2.gz QBRNWHKKHLADMJ-NXEZZACHSA-N 1 0 389.237 2.514 20 0 GFADRO C[C@@H]1C[N@@H+](CC2CCN(C(=O)c3cccnc3Br)CC2)C[C@H](C)O1 ZINC000128318112 551348873 /nfs/dbraw/zinc/34/88/73/551348873.db2.gz SFDUMUUDGSRXRY-OKILXGFUSA-N 1 0 396.329 2.806 20 0 GFADRO CC[C@@H]([NH3+])C(=O)Nc1ccc(Br)c(I)c1 ZINC000129713748 551359210 /nfs/dbraw/zinc/35/92/10/551359210.db2.gz JJBNIXUSXLFJTP-SECBINFHSA-N 1 0 383.027 2.730 20 0 GFADRO CCC[N@@H+](CC(=O)NCC(=O)Nc1ccccc1Br)CC1CC1 ZINC000130063673 551362029 /nfs/dbraw/zinc/36/20/29/551362029.db2.gz CYTXEHMOLGQVOV-UHFFFAOYSA-N 1 0 382.302 2.626 20 0 GFADRO Cc1ncc([C@@H](C)[NH2+]CCNC(=O)c2ccc(Br)cc2)c(C)n1 ZINC000130127419 551362440 /nfs/dbraw/zinc/36/24/40/551362440.db2.gz UJRHLNFSZSIZST-LLVKDONJSA-N 1 0 377.286 2.937 20 0 GFADRO CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2cc(C)ccc2Br)C1 ZINC000130613246 551367482 /nfs/dbraw/zinc/36/74/82/551367482.db2.gz ONSVVXCTUYUQNE-CYBMUJFWSA-N 1 0 382.302 2.544 20 0 GFADRO O=C(COc1cc(Cl)ccc1Cl)NCCCC[N@H+]1CCC[C@H]1CO ZINC000131254841 551373630 /nfs/dbraw/zinc/37/36/30/551373630.db2.gz NJJOHEDCAUBOGF-AWEZNQCLSA-N 1 0 375.296 2.725 20 0 GFADRO O=C(NCCCC[N@H+]1CCC[C@H]1CO)c1cc(Cl)ccc1OC(F)F ZINC000131535001 551374694 /nfs/dbraw/zinc/37/46/94/551374694.db2.gz UVJAHUWCUQZIJI-ZDUSSCGKSA-N 1 0 376.831 2.908 20 0 GFADRO C[C@H]([NH2+]CCN1CCc2sccc2C1)c1ccc(NS(C)(=O)=O)cc1 ZINC000132865476 551379854 /nfs/dbraw/zinc/37/98/54/551379854.db2.gz USEZBVARANMNPD-AWEZNQCLSA-N 1 0 379.551 2.829 20 0 GFADRO C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000141561233 551394279 /nfs/dbraw/zinc/39/42/79/551394279.db2.gz XAHKUEAYGUCPAI-QWHCGFSZSA-N 1 0 384.307 2.808 20 0 GFADRO COCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](CCOc2ccc(Br)cc2)C1 ZINC000144370166 551396085 /nfs/dbraw/zinc/39/60/85/551396085.db2.gz QWFVPGVFZQGFAJ-CABCVRRESA-N 1 0 399.329 2.691 20 0 GFADRO O=C(c1ccc(Br)c(F)c1)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000147894939 551398340 /nfs/dbraw/zinc/39/83/40/551398340.db2.gz GCWDJLQVYAJCBX-AWEZNQCLSA-N 1 0 385.277 2.915 20 0 GFADRO C[C@@H]1C[C@@H](N(C)C(=O)NCCOc2ncc(Cl)cc2Cl)CC[N@@H+]1C ZINC000151036270 551406139 /nfs/dbraw/zinc/40/61/39/551406139.db2.gz WHVZHPZSWKVMSB-YPMHNXCESA-N 1 0 375.300 2.891 20 0 GFADRO Cc1nc(CCNC(=O)NCC2([NH+]3CCSCC3)CCCC2)sc1C ZINC000151151995 551408256 /nfs/dbraw/zinc/40/82/56/551408256.db2.gz NLARHEGJEMFSQD-UHFFFAOYSA-N 1 0 382.599 2.963 20 0 GFADRO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C[C@H]1Sc2ccc(Cl)cc2NC1=O ZINC000151287471 551410920 /nfs/dbraw/zinc/41/09/20/551410920.db2.gz HYLHQTXSMSILDR-GDBMZVCRSA-N 1 0 381.929 2.942 20 0 GFADRO O=S(=O)(c1sccc1Br)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000151635570 551418636 /nfs/dbraw/zinc/41/86/36/551418636.db2.gz VUENAVVYDHVUBQ-LLVKDONJSA-N 1 0 379.345 2.617 20 0 GFADRO C[NH+](C)CC1CCC(NS(=O)(=O)c2sccc2Br)CC1 ZINC000151773178 551420820 /nfs/dbraw/zinc/42/08/20/551420820.db2.gz IDZJJMXZVNDZQT-UHFFFAOYSA-N 1 0 381.361 2.909 20 0 GFADRO CC(C)N(CC[NH+](C)C)C(=O)Cc1csc(NC(=O)c2cccs2)n1 ZINC000151866917 551422521 /nfs/dbraw/zinc/42/25/21/551422521.db2.gz TXEJFJUKXBNGFT-UHFFFAOYSA-N 1 0 380.539 2.798 20 0 GFADRO CNC(=O)CN1CCC([NH2+][C@H](C)[C@H](C)Oc2ccc(Cl)cc2Cl)CC1 ZINC000151991266 551424495 /nfs/dbraw/zinc/42/44/95/551424495.db2.gz XRWVZWHAIOULHX-OLZOCXBDSA-N 1 0 388.339 2.949 20 0 GFADRO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)CN(C)CC1(O)CCCC1 ZINC000152251738 551428902 /nfs/dbraw/zinc/42/89/02/551428902.db2.gz PGFWYJGAPXXRDQ-UHFFFAOYSA-N 1 0 389.279 2.955 20 0 GFADRO C[NH2+]CC1CCN(C(=O)[C@H]2CCN(c3cc(Cl)cc(Cl)c3)C2=O)CC1 ZINC000152314891 551430447 /nfs/dbraw/zinc/43/04/47/551430447.db2.gz YDRMAFPCKBCOJO-MRXNPFEDSA-N 1 0 384.307 2.804 20 0 GFADRO CCCN(CC[NH+](C)C)C(=O)c1ccc(OC)c(I)c1 ZINC000152669466 551438140 /nfs/dbraw/zinc/43/81/40/551438140.db2.gz QRKGGWGWUINAOV-UHFFFAOYSA-N 1 0 390.265 2.714 20 0 GFADRO CCO[C@@H]1C[C@@H](O)C12CC[NH+](C[C@H](O)c1cccc(Br)c1)CC2 ZINC000152703283 551438696 /nfs/dbraw/zinc/43/86/96/551438696.db2.gz CKBSQJQJUAKXME-GVDBMIGSSA-N 1 0 384.314 2.734 20 0 GFADRO C[C@@H](O)C[C@H]1CCCN1CC(=O)Nc1c(F)cc(F)cc1Br ZINC000152759332 551438938 /nfs/dbraw/zinc/43/89/38/551438938.db2.gz VJQUMQNNWDWJGV-MWLCHTKSSA-N 1 0 377.229 2.901 20 0 GFADRO CCO[C@@H]1C[C@H](O)C12CC[NH+](C[C@H](O)c1ccc(Br)cc1)CC2 ZINC000152835694 551440737 /nfs/dbraw/zinc/44/07/37/551440737.db2.gz ZQIDASHBXZQTRC-YESZJQIVSA-N 1 0 384.314 2.734 20 0 GFADRO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)CN1CCC[C@@H]1C[C@@H](C)O ZINC000152992036 551444020 /nfs/dbraw/zinc/44/40/20/551444020.db2.gz DWCOHOSPQRIELQ-ZYHUDNBSSA-N 1 0 389.279 2.954 20 0 GFADRO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)CN1CCC[C@H]1C[C@H](C)O ZINC000152991685 551444213 /nfs/dbraw/zinc/44/42/13/551444213.db2.gz DWCOHOSPQRIELQ-JQWIXIFHSA-N 1 0 389.279 2.954 20 0 GFADRO CCc1nc(C(=O)N2C[C@H](C)[NH2+][C@@H](C)C2)nn1-c1c(Cl)cccc1Cl ZINC000153389300 551451596 /nfs/dbraw/zinc/45/15/96/551451596.db2.gz PSMCRHIWBJGLJW-QWRGUYRKSA-N 1 0 382.295 2.959 20 0 GFADRO CSC[C@@](C)(O)C[NH2+][C@H](C)CC(=O)Nc1ccc(Br)cc1 ZINC000153668721 551457841 /nfs/dbraw/zinc/45/78/41/551457841.db2.gz JILJIFMCYUVCNP-ABAIWWIYSA-N 1 0 375.332 2.870 20 0 GFADRO COCC[N@H+](C)CCCNC(=O)NC1(c2cccc(Br)c2)CC1 ZINC000153691813 551458428 /nfs/dbraw/zinc/45/84/28/551458428.db2.gz NQZKIIVQDJZJBN-UHFFFAOYSA-N 1 0 384.318 2.706 20 0 GFADRO CN(C(=O)C1CCN(C(=O)c2ccc(Cl)s2)CC1)[C@@H]1CCC[N@H+](C)C1 ZINC000153936764 551463649 /nfs/dbraw/zinc/46/36/49/551463649.db2.gz KFSYRPBJYODARL-CQSZACIVSA-N 1 0 383.945 2.806 20 0 GFADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2cc(C)ccc2Br)C1 ZINC000153956471 551463786 /nfs/dbraw/zinc/46/37/86/551463786.db2.gz SWLUPOPAVOVLOL-AWEZNQCLSA-N 1 0 396.329 2.886 20 0 GFADRO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1ccnc(-c2ccc(Br)cc2)n1 ZINC000153984266 551464402 /nfs/dbraw/zinc/46/44/02/551464402.db2.gz SUCYKKRJBVMRSU-OCCSQVGLSA-N 1 0 389.297 2.992 20 0 GFADRO C[C@@H](CC(=O)Nc1cccnc1Cl)[NH2+]CCS(=O)(=O)c1ccccc1 ZINC000154110458 551467768 /nfs/dbraw/zinc/46/77/68/551467768.db2.gz LWPNNCTWJUHYBT-ZDUSSCGKSA-N 1 0 381.885 2.516 20 0 GFADRO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)Nc1cncc(Br)c1 ZINC000154148161 551468798 /nfs/dbraw/zinc/46/87/98/551468798.db2.gz IHFPUPMNBZBKQZ-HNNXBMFYSA-N 1 0 397.317 2.553 20 0 GFADRO Cc1ccc(Br)c(NC(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c1 ZINC000154581282 551478528 /nfs/dbraw/zinc/47/85/28/551478528.db2.gz WXRYYLKEOCIZBP-CZUORRHYSA-N 1 0 394.313 2.639 20 0 GFADRO CCCC[C@@H]([NH3+])C(=O)N[C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000154593001 551478965 /nfs/dbraw/zinc/47/89/65/551478965.db2.gz ZPGHBICGBLRACU-DGCLKSJQSA-N 1 0 378.826 2.966 20 0 GFADRO CC[NH+]1CCC(NC(=O)Nc2cc(Br)cnc2-n2cccn2)CC1 ZINC000154989158 551488169 /nfs/dbraw/zinc/48/81/69/551488169.db2.gz SOYLIMWUKNOPAE-UHFFFAOYSA-N 1 0 393.289 2.636 20 0 GFADRO Cc1ccc(C(=O)N2CCC(OCCC[NH+](C)C)CC2)c(Br)n1 ZINC000155082932 551490746 /nfs/dbraw/zinc/49/07/46/551490746.db2.gz AXDNSQDNZAUEHX-UHFFFAOYSA-N 1 0 384.318 2.725 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(=O)[nH]c2ccc(Br)cc21 ZINC000155118309 551491598 /nfs/dbraw/zinc/49/15/98/551491598.db2.gz QDJDAGGQGMFUNE-LBPRGKRZSA-N 1 0 378.270 2.505 20 0 GFADRO [NH3+][C@@H]1CC[C@@H](C(=O)NCC2(c3ccc(Br)cc3)CCOCC2)C1 ZINC000155146435 551492774 /nfs/dbraw/zinc/49/27/74/551492774.db2.gz KDIQXEMPJWBCEF-CZUORRHYSA-N 1 0 381.314 2.741 20 0 GFADRO Cc1cccc(S(=O)(=O)N2CCN(c3cc[nH+]cc3)CC2)c1Br ZINC000155152704 551493068 /nfs/dbraw/zinc/49/30/68/551493068.db2.gz DNZYDMBFWDZNQQ-UHFFFAOYSA-N 1 0 396.310 2.663 20 0 GFADRO O=C([C@H]1CCC[N@@H+]1C1CCOCC1)N1CCc2ccc(Br)cc21 ZINC000155342541 551498221 /nfs/dbraw/zinc/49/82/21/551498221.db2.gz LQGURBSPFBBHBV-MRXNPFEDSA-N 1 0 379.298 2.982 20 0 GFADRO O=C(NC[C@@H](O)c1cc(Cl)cc(Cl)c1)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC000155431339 551499325 /nfs/dbraw/zinc/49/93/25/551499325.db2.gz MOESOFZDWNQCMW-IAGOWNOFSA-N 1 0 387.307 2.786 20 0 GFADRO CCOC(=O)C[C@H](NC(=O)C[C@@H]1CCC[NH2+]1)c1ccc(Br)cc1 ZINC000155445671 551499837 /nfs/dbraw/zinc/49/98/37/551499837.db2.gz BHVVAHJBWIESBY-GJZGRUSLSA-N 1 0 383.286 2.702 20 0 GFADRO [NH3+]C[C@@H](NS(=O)(=O)c1ccc(F)cc1Br)C1CCCCC1 ZINC000155818151 551508597 /nfs/dbraw/zinc/50/85/97/551508597.db2.gz CHJPXNPBPSIOHJ-CYBMUJFWSA-N 1 0 379.295 2.774 20 0 GFADRO CC[C@@H](C(=O)N[C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1)[NH+](C)C ZINC000155839140 551509243 /nfs/dbraw/zinc/50/92/43/551509243.db2.gz COBXGZWBRBFKGS-YPMHNXCESA-N 1 0 378.826 2.789 20 0 GFADRO C[NH+]1CCN(Cc2cccc(C(=O)Nc3cncc(Br)c3)c2)CC1 ZINC000155880863 551509550 /nfs/dbraw/zinc/50/95/50/551509550.db2.gz CKTFPYOIVIMJOK-UHFFFAOYSA-N 1 0 389.297 2.844 20 0 GFADRO C[N@@H+](CC(=O)Nc1ccc(I)cc1)CC1CCOCC1 ZINC000155863259 551509699 /nfs/dbraw/zinc/50/96/99/551509699.db2.gz HXZKOEZQODWIMG-UHFFFAOYSA-N 1 0 388.249 2.588 20 0 GFADRO C[C@@H](CNC(=O)c1c[nH]c2cccc(Br)c12)C[NH+]1CCN(C)CC1 ZINC000155873234 551509971 /nfs/dbraw/zinc/50/99/71/551509971.db2.gz GOMHHDPIDDTYHY-ZDUSSCGKSA-N 1 0 393.329 2.544 20 0 GFADRO C[C@@H]1C[C@H](N(C)C(=O)c2ccc(F)c(I)c2)CC[N@@H+]1C ZINC000156319513 551520102 /nfs/dbraw/zinc/52/01/02/551520102.db2.gz FVUULFIPVYUGMK-ZYHUDNBSSA-N 1 0 390.240 2.985 20 0 GFADRO Cc1cccc(S(=O)(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)c1Br ZINC000156522733 551523872 /nfs/dbraw/zinc/52/38/72/551523872.db2.gz LNVQWEDIZBPVHU-CHWSQXEVSA-N 1 0 375.332 2.909 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)[C@@H]2CCN(c3cc(Cl)cc(Cl)c3)C2=O)C1 ZINC000156550905 551524536 /nfs/dbraw/zinc/52/45/36/551524536.db2.gz ZVYSIWQUWOODCD-MKBNYLNASA-N 1 0 384.307 2.932 20 0 GFADRO CCN1CCC[C@H]1C[NH2+][C@@H](C)c1ccc(S(=O)(=O)C(F)F)c(OC)c1 ZINC000156576951 551524942 /nfs/dbraw/zinc/52/49/42/551524942.db2.gz UAUWIYSFJOHFDF-JSGCOSHPSA-N 1 0 376.469 2.826 20 0 GFADRO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[NH+]1CCC(n2cncn2)CC1 ZINC000156633723 551526258 /nfs/dbraw/zinc/52/62/58/551526258.db2.gz DKVZYYCTEVRSPT-UHFFFAOYSA-N 1 0 382.295 2.880 20 0 GFADRO [NH3+]C1(C(=O)Nc2ncn(Cc3cccc(Br)c3)n2)CCCCC1 ZINC000156675432 551526494 /nfs/dbraw/zinc/52/64/94/551526494.db2.gz UYVUWAASEKGINB-UHFFFAOYSA-N 1 0 378.274 2.689 20 0 GFADRO CS(=O)(=O)N1CCC[C@@H](C[NH+]2CCC(Oc3ccccc3Cl)CC2)C1 ZINC000157376535 551537693 /nfs/dbraw/zinc/53/76/93/551537693.db2.gz AQHFXSDLRLJAFH-HNNXBMFYSA-N 1 0 386.945 2.855 20 0 GFADRO CS(=O)(=O)c1csc(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)c1 ZINC000157444064 551538198 /nfs/dbraw/zinc/53/81/98/551538198.db2.gz BNVPGNFJFBUOBE-UHFFFAOYSA-N 1 0 378.519 2.677 20 0 GFADRO CC[NH+]1CCC(N(C)CC(=O)N(C)Cc2ccccc2Br)CC1 ZINC000157491525 551538569 /nfs/dbraw/zinc/53/85/69/551538569.db2.gz XWPHWOXMPQMLCU-UHFFFAOYSA-N 1 0 382.346 2.824 20 0 GFADRO C[C@H](CNC(=O)Nc1ccc(Br)cc1F)C[NH+]1CCN(C)CC1 ZINC000157663758 551541143 /nfs/dbraw/zinc/54/11/43/551541143.db2.gz GWYJSDGTDQUJHX-GFCCVEGCSA-N 1 0 387.297 2.593 20 0 GFADRO COC(=O)c1ccsc1N1CC[C@@H](N(C)CCc2ncc(C)s2)C1=O ZINC000157758594 551542019 /nfs/dbraw/zinc/54/20/19/551542019.db2.gz CETJWVUASUMAGY-CYBMUJFWSA-N 1 0 379.507 2.579 20 0 GFADRO CCOCCO[C@H]1CC[N@H+](C[C@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000157866803 551543837 /nfs/dbraw/zinc/54/38/37/551543837.db2.gz NLKPIYYVZOYSAA-GJZGRUSLSA-N 1 0 378.296 2.861 20 0 GFADRO C[C@@H](NC(=O)CCCCOc1ccc(Br)cc1)[C@H]1CN(C)CCO1 ZINC000157961590 551544823 /nfs/dbraw/zinc/54/48/23/551544823.db2.gz NNEWJMMALXKACG-RHSMWYFYSA-N 1 0 399.329 2.834 20 0 GFADRO C[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CCN(c3cc(Cl)cc(Cl)c3)C2=O)C1 ZINC000159090251 551560863 /nfs/dbraw/zinc/56/08/63/551560863.db2.gz BOOYJJKBRGDHIN-BLLLJJGKSA-N 1 0 384.307 2.804 20 0 GFADRO O=C([C@@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000159292221 551562946 /nfs/dbraw/zinc/56/29/46/551562946.db2.gz XMWLDWMKIICEGA-XIKOKIGWSA-N 1 0 382.291 2.558 20 0 GFADRO C[C@H](CNC(=O)[C@@H](C)c1ccc(Br)cc1)C[NH+]1CCN(C)CC1 ZINC000159359633 551564303 /nfs/dbraw/zinc/56/43/03/551564303.db2.gz MFTQWGLKCKUYES-CABCVRRESA-N 1 0 382.346 2.552 20 0 GFADRO COC(=O)C1=NOC2(C1)CCN(Cc1c(F)cccc1Br)CC2 ZINC000161315735 551592676 /nfs/dbraw/zinc/59/26/76/551592676.db2.gz KLMJDSYLVKUDDJ-UHFFFAOYSA-N 1 0 385.233 2.872 20 0 GFADRO CC[NH+]1CCN(CCNC(=O)c2ccc3cc(Br)ccc3c2)CC1 ZINC000161519262 551595628 /nfs/dbraw/zinc/59/56/28/551595628.db2.gz SQRCNMQLWFLJIF-UHFFFAOYSA-N 1 0 390.325 2.970 20 0 GFADRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)c2ccc(I)cc2)C1 ZINC000161599379 551596537 /nfs/dbraw/zinc/59/65/37/551596537.db2.gz WKPDHDAKVOZLKF-ZDUSSCGKSA-N 1 0 386.277 2.999 20 0 GFADRO CC1CC[NH+](C[C@@H](O)CNS(=O)(=O)Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000161683287 551597106 /nfs/dbraw/zinc/59/71/06/551597106.db2.gz LAICBZGWKIXMFV-AWEZNQCLSA-N 1 0 395.352 2.506 20 0 GFADRO CC(=O)NC1CCC([NH2+]Cc2nnc(-c3ccc(Br)cc3)[nH]2)CC1 ZINC000161817487 551598858 /nfs/dbraw/zinc/59/88/58/551598858.db2.gz GHOFCTCSHQRSTR-UHFFFAOYSA-N 1 0 392.301 2.771 20 0 GFADRO O=S(=O)(N[C@H]1CC[NH2+]C2(CCC2)C1)c1ccc(Br)cc1F ZINC000161893401 551600069 /nfs/dbraw/zinc/60/00/69/551600069.db2.gz AWUKHTOUOVOXGH-NSHDSACASA-N 1 0 377.279 2.541 20 0 GFADRO CC[NH+]1CCN([C@H]2CCN(C(=O)[C@H](C)c3ccc(Br)cc3)C2)CC1 ZINC000162183971 551604927 /nfs/dbraw/zinc/60/49/27/551604927.db2.gz LPULERVFQBKVEM-QAPCUYQASA-N 1 0 394.357 2.791 20 0 GFADRO C[C@H](Cn1cc(Br)cn1)[NH2+]C1CCN(Cc2ccccn2)CC1 ZINC000162247551 551605608 /nfs/dbraw/zinc/60/56/08/551605608.db2.gz BLRPMECBJCYLEX-CQSZACIVSA-N 1 0 378.318 2.683 20 0 GFADRO [NH3+][C@H]1CCC[C@@H](NC(=O)c2ccc(I)c(Cl)c2)C1 ZINC000162275508 551606157 /nfs/dbraw/zinc/60/61/57/551606157.db2.gz LQPLBTJZWSUNSC-VHSXEESVSA-N 1 0 378.641 2.944 20 0 GFADRO CC(C)C[C@@H](CNC(=O)C(=O)Nc1cc(F)ccc1Br)[NH+](C)C ZINC000162487126 551608988 /nfs/dbraw/zinc/60/89/88/551608988.db2.gz NVVATDYQAZOXEV-LBPRGKRZSA-N 1 0 388.281 2.619 20 0 GFADRO CC[S@](=O)[C@@H]1CCC[C@H]([NH2+][C@@H](C)c2ccc(S(C)(=O)=O)c(OC)c2)C1 ZINC000162907714 551614263 /nfs/dbraw/zinc/61/42/63/551614263.db2.gz CUNPGZUGKJIKSJ-ZZFALZEZSA-N 1 0 387.567 2.829 20 0 GFADRO C[C@@H](NC(=O)[C@@H]1CCC[C@@H]1[NH3+])c1nc(-c2ccc(Br)cc2)no1 ZINC000163131234 551616846 /nfs/dbraw/zinc/61/68/46/551616846.db2.gz NPHIPQIOIPAMMU-WQAKAFBOSA-N 1 0 379.258 2.804 20 0 GFADRO C[C@H]1C[C@H]([NH2+]CCN2CCN(c3ncccn3)CC2)c2ccsc2S1 ZINC000164254911 551624791 /nfs/dbraw/zinc/62/47/91/551624791.db2.gz OYNYBQBTOSDOCW-HOCLYGCPSA-N 1 0 375.567 2.875 20 0 GFADRO Cc1nc(C)c(C[NH2+]Cc2ccccc2CS(=O)(=O)N2CCCC2)s1 ZINC000169206783 551634532 /nfs/dbraw/zinc/63/45/32/551634532.db2.gz JVQMEKCJPBYHOS-UHFFFAOYSA-N 1 0 379.551 2.975 20 0 GFADRO CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2cccc(Br)c2C)C1 ZINC000170704601 551638053 /nfs/dbraw/zinc/63/80/53/551638053.db2.gz POCHJQYNDKZVEZ-CYBMUJFWSA-N 1 0 382.302 2.544 20 0 GFADRO C[C@@H](Oc1cc(Cl)cc(Cl)c1)C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000170738900 551638637 /nfs/dbraw/zinc/63/86/37/551638637.db2.gz MUFVJKSTCMDYLF-UONOGXRCSA-N 1 0 388.339 2.760 20 0 GFADRO CN(C(=O)c1ccc(I)c(F)c1)C1CC[NH+](C)CC1 ZINC000170915892 551642808 /nfs/dbraw/zinc/64/28/08/551642808.db2.gz LTJFGZQSSWYUAB-UHFFFAOYSA-N 1 0 376.213 2.597 20 0 GFADRO Cc1ccc(C(=O)N2CCC[N@@H+](C3CC3)CC2)cc1I ZINC000171100365 551646750 /nfs/dbraw/zinc/64/67/50/551646750.db2.gz FCATXMASHRWVFO-UHFFFAOYSA-N 1 0 384.261 2.910 20 0 GFADRO COCC[N@H+](C)CCNC(=O)N1CCC[C@@H]1c1cccc(Br)c1 ZINC000171211811 551649622 /nfs/dbraw/zinc/64/96/22/551649622.db2.gz FIJUDGRHQCIHIL-MRXNPFEDSA-N 1 0 384.318 2.874 20 0 GFADRO OCC[N@@H+](Cc1cc(Br)ccc1F)C[C@@H](O)Cc1ccccc1 ZINC000171384106 551654720 /nfs/dbraw/zinc/65/47/20/551654720.db2.gz MSQLGTGNJOJAMT-KRWDZBQOSA-N 1 0 382.273 2.986 20 0 GFADRO C[NH+]1CCN(c2cc(C(=O)NCc3sccc3Br)ccn2)CC1 ZINC000171801949 551663910 /nfs/dbraw/zinc/66/39/10/551663910.db2.gz XMEFARIXIVINRT-UHFFFAOYSA-N 1 0 395.326 2.587 20 0 GFADRO O=S(=O)(N1CCC(C[NH2+]Cc2cccc3[nH]ccc32)CC1)C(F)(F)F ZINC000171966258 551668110 /nfs/dbraw/zinc/66/81/10/551668110.db2.gz FYDGSKRLDQXDFV-UHFFFAOYSA-N 1 0 375.416 2.819 20 0 GFADRO O=C(NCCC[NH+]1CCCCC1)c1cc(=O)c2cc(Br)ccc2[nH]1 ZINC000172000741 551668397 /nfs/dbraw/zinc/66/83/97/551668397.db2.gz ZOVDJHVIGJGAAO-UHFFFAOYSA-N 1 0 392.297 2.896 20 0 GFADRO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)NCCSC(F)(F)F ZINC000172177468 551672767 /nfs/dbraw/zinc/67/27/67/551672767.db2.gz VFLKJZDMUVZIOX-OCCSQVGLSA-N 1 0 376.448 2.844 20 0 GFADRO O=S(=O)(Cc1cccc(C(F)(F)F)c1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000172667284 551684605 /nfs/dbraw/zinc/68/46/05/551684605.db2.gz GVDMLEOFRNJPCS-OAHLLOKOSA-N 1 0 376.444 2.953 20 0 GFADRO CC1(CNC(=O)C(=O)Nc2ccc(Cl)c(Br)c2)CC[NH2+]CC1 ZINC000415574540 563784878 /nfs/dbraw/zinc/78/48/78/563784878.db2.gz RVTWYWQWSZMCKR-UHFFFAOYSA-N 1 0 388.693 2.547 20 0 GFADRO C[C@H](CCCC[NH3+])NC(=O)C(=O)Nc1ccc(Cl)c(Br)c1 ZINC000415745378 563793575 /nfs/dbraw/zinc/79/35/75/563793575.db2.gz RUFANTIDZODHNR-SECBINFHSA-N 1 0 376.682 2.675 20 0 GFADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cccc(Br)c3C)C2)CC1 ZINC000173109763 552078279 /nfs/dbraw/zinc/07/82/79/552078279.db2.gz BNRXZUSEDMIXBS-OAHLLOKOSA-N 1 0 380.330 2.610 20 0 GFADRO C[C@H]1C[N@@H+](C2CCN(C(=O)c3ccc(F)c(Br)c3)CC2)CCO1 ZINC000173253113 552081248 /nfs/dbraw/zinc/08/12/48/552081248.db2.gz HBYDXVJBYUBIHH-LBPRGKRZSA-N 1 0 385.277 2.914 20 0 GFADRO C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)C(=O)Nc1ccc(Br)c(F)c1)C2 ZINC000173454957 552085712 /nfs/dbraw/zinc/08/57/12/552085712.db2.gz ZHNPPNXEJFVOSN-YHWZYXNKSA-N 1 0 398.276 2.658 20 0 GFADRO COCCC[N@H+](C)CCNC(=O)N(C)Cc1cc(Br)ccc1F ZINC000173583766 552088704 /nfs/dbraw/zinc/08/87/04/552088704.db2.gz KQLLGVSKIFTYDP-UHFFFAOYSA-N 1 0 390.297 2.698 20 0 GFADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(C)cc2Br)C1 ZINC000173647596 552089895 /nfs/dbraw/zinc/08/98/95/552089895.db2.gz QRGSJVMWNDNLCP-AWEZNQCLSA-N 1 0 396.329 2.886 20 0 GFADRO CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2ccc(Br)cc2)C1 ZINC000173646176 552089913 /nfs/dbraw/zinc/08/99/13/552089913.db2.gz VMOWISPTGHOIAF-CYBMUJFWSA-N 1 0 382.302 2.578 20 0 GFADRO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NCCc1ccc(Br)cc1 ZINC000173661853 552090251 /nfs/dbraw/zinc/09/02/51/552090251.db2.gz ATURJRYYVJHQIV-KRWDZBQOSA-N 1 0 383.330 2.901 20 0 GFADRO CCC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2ccccc2Br)C1 ZINC000173952495 552095685 /nfs/dbraw/zinc/09/56/85/552095685.db2.gz ZAODYXMDIGNSIS-ZDUSSCGKSA-N 1 0 375.332 2.802 20 0 GFADRO CC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2cc(Br)ccc2F)C1 ZINC000174025646 552096889 /nfs/dbraw/zinc/09/68/89/552096889.db2.gz BCCNFYOAABXNQJ-NSHDSACASA-N 1 0 379.295 2.551 20 0 GFADRO CC[NH+](CC)CCSCC(=O)Nc1ccccc1S(=O)(=O)C(F)F ZINC000174024892 552096896 /nfs/dbraw/zinc/09/68/96/552096896.db2.gz BMMXZUPBEOEAPN-UHFFFAOYSA-N 1 0 380.482 2.696 20 0 GFADRO O=C(/C=C/c1ccccc1Br)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000174174078 552101180 /nfs/dbraw/zinc/10/11/80/552101180.db2.gz ZHQADQBRNJHNNJ-NFAHFFEMSA-N 1 0 379.298 2.643 20 0 GFADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H](C)NC(=O)c2cccc(Cl)c2Cl)C1 ZINC000174540659 552106338 /nfs/dbraw/zinc/10/63/38/552106338.db2.gz CBWHWHCLVWEFRX-OLZOCXBDSA-N 1 0 386.323 2.912 20 0 GFADRO CC(C)C[C@H](CNC(=O)C(=O)Nc1ccc(F)c(Br)c1)[NH+](C)C ZINC000174615205 552106625 /nfs/dbraw/zinc/10/66/25/552106625.db2.gz MPUSYOKPXYGHOT-GFCCVEGCSA-N 1 0 388.281 2.619 20 0 GFADRO Cc1ccc(S(=O)(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)c(Br)c1 ZINC000175075912 552115342 /nfs/dbraw/zinc/11/53/42/552115342.db2.gz HLAZSKKMGRXZDW-STQMWFEESA-N 1 0 375.332 2.909 20 0 GFADRO CO[C@H](C)c1nc(CN2CC[NH+](CCCOCC(F)(F)F)CC2)cs1 ZINC000175129047 552116277 /nfs/dbraw/zinc/11/62/77/552116277.db2.gz IDBDGWBHWLITLE-CYBMUJFWSA-N 1 0 381.464 2.937 20 0 GFADRO O=C(NCCC[NH+]1CCN(c2ccccc2)CC1)c1occc1Br ZINC000175582145 552125839 /nfs/dbraw/zinc/12/58/39/552125839.db2.gz QIYDZNUMAOMWOP-UHFFFAOYSA-N 1 0 392.297 2.984 20 0 GFADRO C[NH+](C)C1CCN(CCNC(=O)NCCc2cc(Cl)cc(Cl)c2)CC1 ZINC000175686000 552126902 /nfs/dbraw/zinc/12/69/02/552126902.db2.gz AWHBOIZJTNGLTG-UHFFFAOYSA-N 1 0 387.355 2.861 20 0 GFADRO O=C(CCc1cccc(Br)c1)N1CC[NH+](C2CCOCC2)CC1 ZINC000175855984 552130407 /nfs/dbraw/zinc/13/04/07/552130407.db2.gz QGVHDXHTWFEVIJ-UHFFFAOYSA-N 1 0 381.314 2.705 20 0 GFADRO COc1ccc(Br)cc1CNC(=O)N(C)[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000176057366 552134693 /nfs/dbraw/zinc/13/46/93/552134693.db2.gz NNDBGMLYLRDZHT-WFASDCNBSA-N 1 0 384.318 2.939 20 0 GFADRO C[NH+](C)C[C@@H]1CCCCN1C(=O)c1cc(=O)[nH]c2c(Br)cccc12 ZINC000176234738 552136969 /nfs/dbraw/zinc/13/69/69/552136969.db2.gz IDSCAYBRGOEYGO-LBPRGKRZSA-N 1 0 392.297 2.847 20 0 GFADRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)Cc2cc3c(cc2Br)OCCO3)C1 ZINC000176676890 552143422 /nfs/dbraw/zinc/14/34/22/552143422.db2.gz HPHZVJGLGCOTII-KBPBESRZSA-N 1 0 397.313 2.752 20 0 GFADRO C[C@@H]1C[N@@H+](CCCCNC(=O)Cc2ccccc2Br)C[C@H](C)O1 ZINC000176686108 552143977 /nfs/dbraw/zinc/14/39/77/552143977.db2.gz GUQVNOWUGOZXJI-GASCZTMLSA-N 1 0 383.330 2.997 20 0 GFADRO Cc1cc(S(=O)(=O)N2CCN(C)c3cc[nH+]cc32)sc1Br ZINC000176976273 552148216 /nfs/dbraw/zinc/14/82/16/552148216.db2.gz NEACEQINCXKRPR-UHFFFAOYSA-N 1 0 388.312 2.859 20 0 GFADRO C[C@H]1C[C@@H](NC(=O)c2cc(=O)[nH]c3ccc(Br)cc32)C[N@@H+]1C1CC1 ZINC000177179686 552151078 /nfs/dbraw/zinc/15/10/78/552151078.db2.gz NIUZYVCDXQBMJY-CMPLNLGQSA-N 1 0 390.281 2.646 20 0 GFADRO Cc1ccc(C[NH+](C)C)cc1NC(=O)c1sccc1S(=O)(=O)N(C)C ZINC000177329180 552153466 /nfs/dbraw/zinc/15/34/66/552153466.db2.gz BEFJXVBONPPCQV-UHFFFAOYSA-N 1 0 381.523 2.621 20 0 GFADRO C[N@H+](CCSc1cc(Cl)ccc1Cl)C[C@H](O)CN1CCOCC1 ZINC000177357657 552153961 /nfs/dbraw/zinc/15/39/61/552153961.db2.gz WEVWQJWHOKDPDW-AWEZNQCLSA-N 1 0 379.353 2.710 20 0 GFADRO [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)NCC(=O)Nc1ccc(Br)cc1 ZINC000178436109 552170270 /nfs/dbraw/zinc/17/02/70/552170270.db2.gz PQGZBRTWXVUHJP-LSDHHAIUSA-N 1 0 382.302 2.802 20 0 GFADRO COCC[NH2+]CC(=O)N[C@@H](c1ccccc1)c1ccc(Br)cc1 ZINC000178456289 552170750 /nfs/dbraw/zinc/17/07/50/552170750.db2.gz GAMDVPFHRKMUSO-SFHVURJKSA-N 1 0 377.282 2.891 20 0 GFADRO C[C@H](CN1CCCC1=O)[NH2+][C@@H](C)CC(=O)Nc1cccc(Br)c1 ZINC000178489838 552171213 /nfs/dbraw/zinc/17/12/13/552171213.db2.gz AKIVFPFUZUQPNC-QWHCGFSZSA-N 1 0 382.302 2.767 20 0 GFADRO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@H](C)CN1CCCC1=O ZINC000178489845 552171230 /nfs/dbraw/zinc/17/12/30/552171230.db2.gz AKIVFPFUZUQPNC-CHWSQXEVSA-N 1 0 382.302 2.767 20 0 GFADRO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CCNC(=O)c1ccco1 ZINC000178488212 552171273 /nfs/dbraw/zinc/17/12/73/552171273.db2.gz KTVYBXDLQLWNCC-GFCCVEGCSA-N 1 0 394.269 2.779 20 0 GFADRO COC(=O)c1ccc(Cl)cc1S(=O)(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000178517510 552172220 /nfs/dbraw/zinc/17/22/20/552172220.db2.gz BSHWROGOZWYACR-UHFFFAOYSA-N 1 0 388.917 2.668 20 0 GFADRO COC[C@@H]1CN(Cc2ccnc(-c3ccc(Br)cc3)n2)CCO1 ZINC000178864102 552177754 /nfs/dbraw/zinc/17/77/54/552177754.db2.gz XVOCCTQYSVLEPY-INIZCTEOSA-N 1 0 378.270 2.753 20 0 GFADRO CCCN(C(=O)Cc1csc(NC(=O)c2cccs2)n1)[C@@H]1CC[NH2+]C1 ZINC000178932002 552179746 /nfs/dbraw/zinc/17/97/46/552179746.db2.gz OMGIEDKESIPKRG-CYBMUJFWSA-N 1 0 378.523 2.600 20 0 GFADRO C[NH+](C)CC1CCC(NC(=O)N[C@H](CO)c2cccc(Br)c2)CC1 ZINC000178976379 552181216 /nfs/dbraw/zinc/18/12/16/552181216.db2.gz QRJWXWVWOOYDDS-QWFMPGPPSA-N 1 0 398.345 2.902 20 0 GFADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)Cc2ccc(Br)c(F)c2)C1 ZINC000178987098 552181397 /nfs/dbraw/zinc/18/13/97/552181397.db2.gz YTUVTBODAWWTBM-CQSZACIVSA-N 1 0 387.293 2.604 20 0 GFADRO C[NH+](C)CCCOC1CCN(S(=O)(=O)Cc2ccc(F)c(Cl)c2)CC1 ZINC000179002086 552181798 /nfs/dbraw/zinc/18/17/98/552181798.db2.gz SSPMHQSXCCHEHI-UHFFFAOYSA-N 1 0 392.924 2.742 20 0 GFADRO CN(C(=O)Cc1csc(-c2cc(Br)cs2)n1)[C@H]1CC[NH2+]C1 ZINC000179096330 552184424 /nfs/dbraw/zinc/18/44/24/552184424.db2.gz RIVHRNZNNFRIKS-NSHDSACASA-N 1 0 386.340 2.997 20 0 GFADRO CCCS(=O)(=O)N1CCC([NH2+][C@H](C)c2ncc(Br)s2)CC1 ZINC000179204149 552186601 /nfs/dbraw/zinc/18/66/01/552186601.db2.gz ZMWXQHDEXWEJOU-SNVBAGLBSA-N 1 0 396.376 2.760 20 0 GFADRO C[C@@H](NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1ncc(Br)s1 ZINC000179201959 552187003 /nfs/dbraw/zinc/18/70/03/552187003.db2.gz UVZDFZSDLGGUTP-IUODEOHRSA-N 1 0 396.354 2.975 20 0 GFADRO COC(=O)c1ccc(CN[C@@H](C(N)=O)c2cccc(Br)c2)cc1 ZINC000179214152 552187367 /nfs/dbraw/zinc/18/73/67/552187367.db2.gz WAVNAIJBRMYQOZ-OAHLLOKOSA-N 1 0 377.238 2.552 20 0 GFADRO O=C(C1CC[NH+](C[C@H](O)c2ccc(Cl)cc2Cl)CC1)N1CCOCC1 ZINC000179466616 552193965 /nfs/dbraw/zinc/19/39/65/552193965.db2.gz CKNYAGGWHGUEJN-KRWDZBQOSA-N 1 0 387.307 2.598 20 0 GFADRO Brc1ccccc1OCCN1CC[NH+](CC2CCOCC2)CC1 ZINC000179608234 552197690 /nfs/dbraw/zinc/19/76/90/552197690.db2.gz HNYBOAJWBQIRMA-UHFFFAOYSA-N 1 0 383.330 2.872 20 0 GFADRO Cc1ccc(Br)c(S(=O)(=O)NC2CC[NH+](CC3CC3)CC2)c1 ZINC000179638467 552198360 /nfs/dbraw/zinc/19/83/60/552198360.db2.gz WDTFMPPCVSBIQG-UHFFFAOYSA-N 1 0 387.343 2.910 20 0 GFADRO COCC[NH+]1CCC(NC(=O)C[C@@H](O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000179738439 552201799 /nfs/dbraw/zinc/20/17/99/552201799.db2.gz HZNZDLDRAJJNNB-MRXNPFEDSA-N 1 0 375.296 2.644 20 0 GFADRO C[N@H+](CCCO)C1CCN(C(=O)CSc2nc3ccccc3s2)CC1 ZINC000179765999 552202376 /nfs/dbraw/zinc/20/23/76/552202376.db2.gz DFKPXJJBEZGZCS-UHFFFAOYSA-N 1 0 379.551 2.694 20 0 GFADRO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1cc(F)c(Br)c(F)c1 ZINC000180047445 552210710 /nfs/dbraw/zinc/21/07/10/552210710.db2.gz JIPSXBBCNUYAGD-SECBINFHSA-N 1 0 392.244 2.512 20 0 GFADRO COc1ccc([C@H]([NH2+]C[C@H](O)CS(=O)(=O)c2cccs2)C(C)C)cc1 ZINC000180201337 552217240 /nfs/dbraw/zinc/21/72/40/552217240.db2.gz QCZMHTAZKJLBCQ-MAUKXSAKSA-N 1 0 383.535 2.878 20 0 GFADRO O=C(NCC[NH2+][C@@H]1CCSc2ccc(Br)cc21)c1ccn[nH]1 ZINC000180209566 552217819 /nfs/dbraw/zinc/21/78/19/552217819.db2.gz CARSFSNOIXOBLS-GFCCVEGCSA-N 1 0 381.299 2.729 20 0 GFADRO Cc1cc(NC(=O)C[NH2+]C(C)(C)COc2ncccc2Br)on1 ZINC000180394827 552224997 /nfs/dbraw/zinc/22/49/97/552224997.db2.gz FZLFLKPIZPAWRA-UHFFFAOYSA-N 1 0 383.246 2.526 20 0 GFADRO CC(=O)Nc1cccc(OCC[NH2+][C@H](C)Cn2cc(Br)cn2)c1 ZINC000180449083 552226362 /nfs/dbraw/zinc/22/63/62/552226362.db2.gz PYEVMRCOVDWRJE-GFCCVEGCSA-N 1 0 381.274 2.661 20 0 GFADRO CCOc1cc(C[N@H+](C)C2CCN(S(C)(=O)=O)CC2)cc(Cl)c1OC ZINC000180625593 552231882 /nfs/dbraw/zinc/23/18/82/552231882.db2.gz PEZQYJFYQFKXMO-UHFFFAOYSA-N 1 0 390.933 2.603 20 0 GFADRO C[N@@H+]1CC[C@@H](CNC(=O)c2coc(-c3ccc(Br)cc3F)n2)C1 ZINC000180838046 552237312 /nfs/dbraw/zinc/23/73/12/552237312.db2.gz PFOCPSQBVZSGKH-JTQLQIEISA-N 1 0 382.233 2.925 20 0 GFADRO Brc1ccc(C[NH2+][C@@H]2CCN(C3CC3)C2)c(N2CCOCC2)c1 ZINC000181458623 552256946 /nfs/dbraw/zinc/25/69/46/552256946.db2.gz ADWIHDZBLUESNA-MRXNPFEDSA-N 1 0 380.330 2.612 20 0 GFADRO OCC[C@H]([NH2+]Cc1nnnn1-c1ccccc1Br)C1CCCCC1 ZINC000181492345 552258130 /nfs/dbraw/zinc/25/81/30/552258130.db2.gz MPNIIWKOUDUOPO-HNNXBMFYSA-N 1 0 394.317 2.846 20 0 GFADRO C[C@@H]([NH2+]CC1(CO)CCOCC1)c1ccc(I)cc1 ZINC000181567467 552261339 /nfs/dbraw/zinc/26/13/39/552261339.db2.gz VTKRNPGRZDKPDK-GFCCVEGCSA-N 1 0 375.250 2.731 20 0 GFADRO COc1ccc2c(c1)CCC[C@H]2[NH2+]C[C@@H](O)CS(=O)(=O)c1cccs1 ZINC000181635413 552263391 /nfs/dbraw/zinc/26/33/91/552263391.db2.gz UPMROXXUONJELT-RHSMWYFYSA-N 1 0 381.519 2.559 20 0 GFADRO Cc1ccc2c(c1)[C@@H]([NH2+]C[C@H](O)CS(=O)(=O)c1cccs1)CCCO2 ZINC000181640321 552263429 /nfs/dbraw/zinc/26/34/29/552263429.db2.gz BOLGIRVWCZFKSR-HOCLYGCPSA-N 1 0 381.519 2.695 20 0 GFADRO CC[C@@H]([NH2+]CCC(=O)N1CCN(C)CC1)c1cc(F)cc(Br)c1 ZINC000181686847 552265228 /nfs/dbraw/zinc/26/52/28/552265228.db2.gz QSGWZTUVCDVCLI-MRXNPFEDSA-N 1 0 386.309 2.793 20 0 GFADRO C[C@H](Cn1cc(Br)cn1)[NH2+][C@H](C)c1ccc(-n2ccnn2)cc1 ZINC000181747294 552267215 /nfs/dbraw/zinc/26/72/15/552267215.db2.gz CXJRTHUCNKXRHI-CHWSQXEVSA-N 1 0 375.274 2.966 20 0 GFADRO Cc1cccc(Cl)c1NC(=O)CN[C@H](CS(C)(=O)=O)c1ccccc1 ZINC000181790844 552267474 /nfs/dbraw/zinc/26/74/74/552267474.db2.gz OJQCVQCPAAEFKU-MRXNPFEDSA-N 1 0 380.897 2.962 20 0 GFADRO COc1ccc([C@H](C)[NH2+]CC(=O)N(C)Cc2cnn(C)c2)cc1Br ZINC000182073238 552274403 /nfs/dbraw/zinc/27/44/03/552274403.db2.gz WKBNIQGFFIHJKF-LBPRGKRZSA-N 1 0 395.301 2.500 20 0 GFADRO C[NH+](C)CCN(C1CCCCC1)S(=O)(=O)c1ccc(C(F)(F)F)nc1 ZINC000182098081 552275219 /nfs/dbraw/zinc/27/52/19/552275219.db2.gz VRPCWTUJECOYEU-UHFFFAOYSA-N 1 0 379.448 2.985 20 0 GFADRO COC(=O)c1ccccc1OCC[NH2+][C@@H](CO)c1cccc(Br)c1 ZINC000182468201 552284804 /nfs/dbraw/zinc/28/48/04/552284804.db2.gz JDOLBFOUUPOQIL-INIZCTEOSA-N 1 0 394.265 2.938 20 0 GFADRO Cc1cc(NC(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)cnc1Br ZINC000182457256 552284995 /nfs/dbraw/zinc/28/49/95/552284995.db2.gz NMIXEMCZHVPSFZ-AWEZNQCLSA-N 1 0 397.317 2.729 20 0 GFADRO CC[C@H](C)[C@H](C)[NH2+][C@@H](C)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000183088858 552299770 /nfs/dbraw/zinc/29/97/70/552299770.db2.gz LLPUVHNOIROADB-AVGNSLFASA-N 1 0 389.949 2.942 20 0 GFADRO C[C@H]1C[C@@H](NC(=O)NCCNc2cccc(Br)c2)C[N@@H+]1C1CC1 ZINC000183250819 552303999 /nfs/dbraw/zinc/30/39/99/552303999.db2.gz QKGDBWYOYSITBF-SWLSCSKDSA-N 1 0 381.318 2.785 20 0 GFADRO COc1ccc([C@H](C)[NH2+]C[C@@H]2CC[C@H](C(=O)N(C)C)O2)cc1Br ZINC000183466057 552309932 /nfs/dbraw/zinc/30/99/32/552309932.db2.gz CBSVZJSFQORMMY-DETPVDSQSA-N 1 0 385.302 2.744 20 0 GFADRO [NH3+]CC1(CC(=O)NC[C@@H](O)COc2ccccc2Br)CCCCC1 ZINC000184212760 552329966 /nfs/dbraw/zinc/32/99/66/552329966.db2.gz IECUQZJVSSCXNL-CQSZACIVSA-N 1 0 399.329 2.604 20 0 GFADRO C[NH+](C)CC1(CN[C@H](C(N)=O)c2ccc(Br)cc2F)CCCC1 ZINC000184474621 552336573 /nfs/dbraw/zinc/33/65/73/552336573.db2.gz GNSKPIIJQKDMEG-HNNXBMFYSA-N 1 0 386.309 2.826 20 0 GFADRO COCC[N@H+](C)CCCNC(=O)Nc1cc(F)c(Br)cc1C ZINC000184821170 552345414 /nfs/dbraw/zinc/34/54/14/552345414.db2.gz IGILRPLCDJQWJA-UHFFFAOYSA-N 1 0 376.270 2.986 20 0 GFADRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)c3[nH]nc(-c4ccccc4)c3Br)C[C@@H]12 ZINC000184960523 552349657 /nfs/dbraw/zinc/34/96/57/552349657.db2.gz QNWWMOIJXNQNDT-YNEHKIRRSA-N 1 0 375.270 2.649 20 0 GFADRO CN(C(=O)c1ncc(Br)cc1Br)[C@@H]1CCC[N@H+](C)C1 ZINC000184990801 552350381 /nfs/dbraw/zinc/35/03/81/552350381.db2.gz CGBKEIQXFCUTFG-SNVBAGLBSA-N 1 0 391.107 2.773 20 0 GFADRO COCC[NH+]1CCC(NC(=O)CCc2ccc(C)cc2Br)CC1 ZINC000185131575 552355499 /nfs/dbraw/zinc/35/54/99/552355499.db2.gz JLZWIIKUPTVHSQ-UHFFFAOYSA-N 1 0 383.330 2.917 20 0 GFADRO CC[NH+](CC)CCNC(=O)NC(C)(C)COc1ncccc1Br ZINC000185191045 552357095 /nfs/dbraw/zinc/35/70/95/552357095.db2.gz YMWNFWABUYZICL-UHFFFAOYSA-N 1 0 387.322 2.643 20 0 GFADRO CCOc1ccc(S(=O)(=O)N(C)CC[N@H+](C)C2CC2)cc1Br ZINC000185229295 552357447 /nfs/dbraw/zinc/35/74/47/552357447.db2.gz KVDOXZSGPGGYEH-UHFFFAOYSA-N 1 0 391.331 2.563 20 0 GFADRO C[C@@H]([NH2+]CC(=O)Nc1ccc(Br)cn1)[C@H]1COc2ccccc21 ZINC000185645760 552368009 /nfs/dbraw/zinc/36/80/09/552368009.db2.gz SEMIJUOERUYLMF-BXUZGUMPSA-N 1 0 376.254 2.937 20 0 GFADRO COCCC[NH+]1CCC(NC(=O)N2Cc3cccc(Br)c3C2)CC1 ZINC000185732866 552369815 /nfs/dbraw/zinc/36/98/15/552369815.db2.gz YQHMEUNFOGNMHC-UHFFFAOYSA-N 1 0 396.329 2.975 20 0 GFADRO CCCNC(=O)C[C@@H](C(N)=O)[N@H+](CCC)Cc1ccc(Br)cc1C ZINC000186877043 552400159 /nfs/dbraw/zinc/40/01/59/552400159.db2.gz DGWUGNBBICSDKB-INIZCTEOSA-N 1 0 398.345 2.740 20 0 GFADRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)Cc1csc(-c2cccs2)n1 ZINC000186937660 552401916 /nfs/dbraw/zinc/40/19/16/552401916.db2.gz MQNJIVPDIVKDQW-CYBMUJFWSA-N 1 0 379.551 2.718 20 0 GFADRO O=C(NOCc1ccc(F)cc1Br)NC1CC[NH+](C2CC2)CC1 ZINC000187131833 552406944 /nfs/dbraw/zinc/40/69/44/552406944.db2.gz IQOWFTKRVVHZJC-UHFFFAOYSA-N 1 0 386.265 2.946 20 0 GFADRO CNS(=O)(=O)CC[NH2+][C@H](C)c1cnn(-c2ccc(Cl)cc2Cl)c1C ZINC000187170318 552408196 /nfs/dbraw/zinc/40/81/96/552408196.db2.gz WWDYZAODSYWJPE-SNVBAGLBSA-N 1 0 391.324 2.687 20 0 GFADRO COCCC[NH+]1CCC(NC(=O)c2cc(Br)ncc2Cl)CC1 ZINC000187466148 552416645 /nfs/dbraw/zinc/41/66/45/552416645.db2.gz QWQVJJKLTQRLKM-UHFFFAOYSA-N 1 0 390.709 2.728 20 0 GFADRO C[C@H](Nc1ccc(CC[NH+]2CCSCC2)cc1)C1CCS(=O)(=O)CC1 ZINC000187511957 552417614 /nfs/dbraw/zinc/41/76/14/552417614.db2.gz ONWQXFPSKKAODS-INIZCTEOSA-N 1 0 382.595 2.903 20 0 GFADRO Cc1cc(Br)cc(NC(=O)NC2CCN(CC[NH+](C)C)CC2)c1 ZINC000187515103 552417648 /nfs/dbraw/zinc/41/76/48/552417648.db2.gz HTRSLUYSRJNDTQ-UHFFFAOYSA-N 1 0 383.334 2.905 20 0 GFADRO Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)[NH2+][C@@H](C)C1CCS(=O)(=O)CC1 ZINC000187531147 552418397 /nfs/dbraw/zinc/41/83/97/552418397.db2.gz ZJDTVSDPYBUYIV-WDEREUQCSA-N 1 0 381.464 2.926 20 0 GFADRO COC[C@H]([NH2+]C[C@H](O)COc1cccc(Cl)c1Cl)C1CCOCC1 ZINC000187838580 552426109 /nfs/dbraw/zinc/42/61/09/552426109.db2.gz QNNRINMNFHAXFO-ZFWWWQNUSA-N 1 0 378.296 2.764 20 0 GFADRO CCO[C@@H]1C[C@@]([NH3+])(C(=O)NC[C@@H](C)Oc2ccccc2Br)C1(C)C ZINC000187902865 552427632 /nfs/dbraw/zinc/42/76/32/552427632.db2.gz LPEVMXIZKILWTQ-CDHAZOANSA-N 1 0 399.329 2.865 20 0 GFADRO Cc1cc(Br)cc(NC(=O)C(=O)NC2CC[NH+](C(C)C)CC2)c1 ZINC000188049820 552432849 /nfs/dbraw/zinc/43/28/49/552432849.db2.gz NKKCEUITTJXHDK-UHFFFAOYSA-N 1 0 382.302 2.685 20 0 GFADRO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)Nc2cc(C)cc(Br)c2)C1 ZINC000188111914 552435480 /nfs/dbraw/zinc/43/54/80/552435480.db2.gz LSSYODRYCBVTKT-OAHLLOKOSA-N 1 0 382.302 2.639 20 0 GFADRO Cc1cc(Br)cc(NC(=O)C(=O)NC[C@H]2CC[N@@H+](CC(C)C)C2)c1 ZINC000188132866 552436639 /nfs/dbraw/zinc/43/66/39/552436639.db2.gz GKQBRACFKWKYEZ-CQSZACIVSA-N 1 0 396.329 2.790 20 0 GFADRO COC[C@@H]([NH2+]Cc1cc(Br)c(OC)c(OC)c1)C1CCOCC1 ZINC000188177872 552438126 /nfs/dbraw/zinc/43/81/26/552438126.db2.gz FYVBBOGEJNUMAN-OAHLLOKOSA-N 1 0 388.302 2.998 20 0 GFADRO Cc1ccc(NC(=O)C(=O)N(C)CC2([NH+](C)C)CCC2)c(Br)c1 ZINC000188224227 552439723 /nfs/dbraw/zinc/43/97/23/552439723.db2.gz RBEHQEIBKKZBPI-UHFFFAOYSA-N 1 0 382.302 2.639 20 0 GFADRO CN1CCC([NH+]2CCC(NC(=O)Nc3cccc(Br)n3)CC2)CC1 ZINC000188481829 552446270 /nfs/dbraw/zinc/44/62/70/552446270.db2.gz ILESCRZFXVPRJE-UHFFFAOYSA-N 1 0 396.333 2.524 20 0 GFADRO O=C(c1[nH]nc2c1C[NH2+]CC2)N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000188509613 552446537 /nfs/dbraw/zinc/44/65/37/552446537.db2.gz ZSNMQGGPRIBWJB-OAHLLOKOSA-N 1 0 381.263 2.576 20 0 GFADRO C[C@H]1C[N@@H+](C2CCN(C(=O)Nc3cccc(Br)n3)CC2)CCO1 ZINC000188560053 552448018 /nfs/dbraw/zinc/44/80/18/552448018.db2.gz HHZWHRRZQHBACL-LBPRGKRZSA-N 1 0 383.290 2.561 20 0 GFADRO Cc1nc(C(=O)N2CC[NH+]3CCC2CC3)nn1-c1c(Cl)cccc1Cl ZINC000188641536 552450928 /nfs/dbraw/zinc/45/09/28/552450928.db2.gz CRVVYADRAKSDAN-UHFFFAOYSA-N 1 0 380.279 2.803 20 0 GFADRO O=C(NCc1ccc2c(c1)C[NH2+]C2)c1c(F)cccc1I ZINC000188731870 552453409 /nfs/dbraw/zinc/45/34/09/552453409.db2.gz POCHWGSURKAHRX-UHFFFAOYSA-N 1 0 396.203 2.964 20 0 GFADRO C[N@H+](Cc1nc(-c2cccc(Br)c2)c[nH]1)CC1(O)CCOCC1 ZINC000188839466 552456250 /nfs/dbraw/zinc/45/62/50/552456250.db2.gz CBZILTGRTKECIV-UHFFFAOYSA-N 1 0 380.286 2.813 20 0 GFADRO COc1cc(Br)ccc1CNC(=O)[C@@H]([NH2+]C1CCOCC1)C(C)C ZINC000188885810 552458165 /nfs/dbraw/zinc/45/81/65/552458165.db2.gz MECLMYPIHCRWMB-KRWDZBQOSA-N 1 0 399.329 2.867 20 0 GFADRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NS(=O)(=O)c1sccc1Br ZINC000189148588 552464515 /nfs/dbraw/zinc/46/45/15/552464515.db2.gz NLXILZSQQHCJTK-WDEREUQCSA-N 1 0 381.361 2.909 20 0 GFADRO O=C(CCCOc1cccc(Cl)c1Cl)NCC[N@@H+]1CCCOCC1 ZINC000189456382 552472093 /nfs/dbraw/zinc/47/20/93/552472093.db2.gz YYRYPSWKXXLJMX-UHFFFAOYSA-N 1 0 375.296 2.991 20 0 GFADRO Cc1ccc(NC(=O)[C@@H](C)[N@H+](C)CC2(O)CCOCC2)c(Br)c1 ZINC000189747848 552478835 /nfs/dbraw/zinc/47/88/35/552478835.db2.gz HJWAYSSOGKNILI-CYBMUJFWSA-N 1 0 385.302 2.558 20 0 GFADRO CCO[C@@H]1C[C@@](CO)([NH2+]CC(=O)Nc2ccc(Br)cc2C)C1(C)C ZINC000190017178 552485534 /nfs/dbraw/zinc/48/55/34/552485534.db2.gz MWHJEPHFQLDURC-QAPCUYQASA-N 1 0 399.329 2.852 20 0 GFADRO CCO[C@H]1C[C@](CO)([NH2+]CC(=O)Nc2ccc(Br)cc2C)C1(C)C ZINC000190017239 552485671 /nfs/dbraw/zinc/48/56/71/552485671.db2.gz MWHJEPHFQLDURC-MAUKXSAKSA-N 1 0 399.329 2.852 20 0 GFADRO Cc1ccc(NC(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)cc1Br ZINC000190017717 552485695 /nfs/dbraw/zinc/48/56/95/552485695.db2.gz BLDHVEFCDOJPAN-OAHLLOKOSA-N 1 0 394.313 2.783 20 0 GFADRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)Nc1nnc(-c2ccsc2)s1 ZINC000190146080 552488752 /nfs/dbraw/zinc/48/87/52/552488752.db2.gz GOBSGMFLBSQUDL-LLVKDONJSA-N 1 0 381.527 2.576 20 0 GFADRO CCCN(CCC[NH+](C)C)C(=O)C(=O)Nc1cc(F)ccc1Br ZINC000190152921 552488920 /nfs/dbraw/zinc/48/89/20/552488920.db2.gz RLSQENBRVWZNMI-UHFFFAOYSA-N 1 0 388.281 2.717 20 0 GFADRO Cc1cc(NC(=O)C(=O)N(C)CC2CC[NH+](C)CC2)cc(C)c1Br ZINC000190451087 552497233 /nfs/dbraw/zinc/49/72/33/552497233.db2.gz XIJQWJZXBXVWCD-UHFFFAOYSA-N 1 0 396.329 2.805 20 0 GFADRO Cc1nc2n(n1)C[C@@H]([NH2+][C@@H]1CCN(c3ccc(Cl)cc3Cl)C1=O)CC2 ZINC000190966086 552515180 /nfs/dbraw/zinc/51/51/80/552515180.db2.gz MDKORDYXZMZPMM-GXTWGEPZSA-N 1 0 380.279 2.603 20 0 GFADRO Cc1cc(C(F)(F)F)ccc1C[NH2+]C[C@H](O)CS(=O)(=O)c1cccs1 ZINC000191041531 552517340 /nfs/dbraw/zinc/51/73/40/552517340.db2.gz YPXWYGYKLOKZKE-AWEZNQCLSA-N 1 0 393.452 3.000 20 0 GFADRO CSCCC(=O)Nc1ccc(CN2CC[NH+](C)CC2)c(Br)c1 ZINC000191082637 552518123 /nfs/dbraw/zinc/51/81/23/552518123.db2.gz URWXSSZVYPDBJG-UHFFFAOYSA-N 1 0 386.359 2.888 20 0 GFADRO CC[N@H+](CCNC(=O)c1nc(Br)ccc1Br)C1CC1 ZINC000191194604 552521241 /nfs/dbraw/zinc/52/12/41/552521241.db2.gz TXOQYXOOHHHJOJ-UHFFFAOYSA-N 1 0 391.107 2.821 20 0 GFADRO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1cc(F)cc(F)c1Br ZINC000191201592 552521411 /nfs/dbraw/zinc/52/14/11/552521411.db2.gz IHCULAQIOYJCTE-SECBINFHSA-N 1 0 392.244 2.512 20 0 GFADRO Cc1c(Br)cccc1CC(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000191628590 552533671 /nfs/dbraw/zinc/53/36/71/552533671.db2.gz AWOODAGXBBCFIR-MRXNPFEDSA-N 1 0 395.341 2.871 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1cccc(Cl)c1Br ZINC000192031911 552546884 /nfs/dbraw/zinc/54/68/84/552546884.db2.gz MOYQURXQVNKBJN-SNVBAGLBSA-N 1 0 388.693 2.642 20 0 GFADRO Cn1nc(Br)cc1C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000192054173 552547842 /nfs/dbraw/zinc/54/78/42/552547842.db2.gz ZKBGWEZNSAYHGV-CQSZACIVSA-N 1 0 383.334 2.911 20 0 GFADRO C[C@@H](C(=O)NCCSCCOc1cccc(Br)c1)[C@H](C)[NH3+] ZINC000192048403 552547989 /nfs/dbraw/zinc/54/79/89/552547989.db2.gz RMKGWJGTDUWMHD-NEPJUHHUSA-N 1 0 375.332 2.661 20 0 GFADRO C[C@@H]([NH3+])[C@@H](C)C(=O)Nc1cc(Cl)c(NC(=O)c2cnccn2)c(Cl)c1 ZINC000192056259 552548295 /nfs/dbraw/zinc/54/82/95/552548295.db2.gz LFUYBOLERHMBLV-RKDXNWHRSA-N 1 0 382.251 2.958 20 0 GFADRO C[NH+](C)C1(CNC(=O)c2cc(Br)c(F)cc2F)CCOCC1 ZINC000192118842 552551811 /nfs/dbraw/zinc/55/18/11/552551811.db2.gz UIQBUMVOWUEEPB-UHFFFAOYSA-N 1 0 377.229 2.568 20 0 GFADRO CN(C)C(=O)[C@@H]1CC[C@@H](C[NH2+]Cc2ccc(Br)c(Cl)c2)O1 ZINC000192206345 552555737 /nfs/dbraw/zinc/55/57/37/552555737.db2.gz SUGWGVWVAYMOBJ-FZMZJTMJSA-N 1 0 375.694 2.828 20 0 GFADRO O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)c1cc(Br)c[nH]1 ZINC000192221031 552556643 /nfs/dbraw/zinc/55/66/43/552556643.db2.gz ONGZKVNWMRCMEB-MRXNPFEDSA-N 1 0 392.297 2.798 20 0 GFADRO Cc1ccc(NC(=O)c2cc(Br)nn2C)c(OCC[NH+](C)C)c1 ZINC000192339624 552560484 /nfs/dbraw/zinc/56/04/84/552560484.db2.gz BZVVKLFWWDVTCQ-UHFFFAOYSA-N 1 0 381.274 2.684 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)c(Br)c2)C1 ZINC000192389644 552561559 /nfs/dbraw/zinc/56/15/59/552561559.db2.gz IMSUYMZUFSUOGE-UWVGGRQHSA-N 1 0 381.723 2.850 20 0 GFADRO COC(=O)C1CCC([NH2+]CCNC(=O)c2cccc(Br)c2)CC1 ZINC000192445451 552564007 /nfs/dbraw/zinc/56/40/07/552564007.db2.gz ZMWAADLAVHZLLA-UHFFFAOYSA-N 1 0 383.286 2.500 20 0 GFADRO CCc1cnc(NC(=O)C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)s1 ZINC000192449024 552564010 /nfs/dbraw/zinc/56/40/10/552564010.db2.gz KKPOBFLZZWTFIX-CYBMUJFWSA-N 1 0 378.523 2.659 20 0 GFADRO COCC[N@H+](C)CCCNc1ncc(Cn2cc(Br)cn2)s1 ZINC000192692952 552971644 /nfs/dbraw/zinc/97/16/44/552971644.db2.gz MYRHHDHZKPSAIJ-UHFFFAOYSA-N 1 0 388.335 2.531 20 0 GFADRO C[C@@H]1CN(CCN2CCO[C@H](c3ccc(F)c(Br)c3)C2)CCO1 ZINC000192803589 552974093 /nfs/dbraw/zinc/97/40/93/552974093.db2.gz LGVSWQSUNAHXFM-DYVFJYSZSA-N 1 0 387.293 2.682 20 0 GFADRO CCCC[NH+]1CCC(NS(=O)(=O)c2cc(OC)c(OC)cc2Cl)CC1 ZINC000192816524 552974690 /nfs/dbraw/zinc/97/46/90/552974690.db2.gz KDFCBQPSRVZWDP-UHFFFAOYSA-N 1 0 390.933 2.900 20 0 GFADRO COc1cc(Cl)c(S(=O)(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)cc1OC ZINC000192822080 552975202 /nfs/dbraw/zinc/97/52/02/552975202.db2.gz DVJQSGXYUCKJRS-NWDGAFQWSA-N 1 0 376.906 2.508 20 0 GFADRO C[C@@H]([NH2+]Cc1ccc(Br)cc1N1CCOCC1)c1ccnn1C ZINC000193031168 552980935 /nfs/dbraw/zinc/98/09/35/552980935.db2.gz MAWFVSQUSMMLTL-CYBMUJFWSA-N 1 0 379.302 2.870 20 0 GFADRO Cc1ccc(S(=O)(=O)NCC[NH2+]Cc2cnc(-c3ccco3)s2)s1 ZINC000193173522 552985316 /nfs/dbraw/zinc/98/53/16/552985316.db2.gz ISLKMLQZGAJSTN-UHFFFAOYSA-N 1 0 383.520 2.841 20 0 GFADRO CCCN([C@@H]1CC[NH2+]C1)S(=O)(=O)c1cc(Br)c(F)cc1C ZINC000193264197 552987765 /nfs/dbraw/zinc/98/77/65/552987765.db2.gz KZXHXABKARWJRA-LLVKDONJSA-N 1 0 379.295 2.659 20 0 GFADRO Cc1csc([C@H]2CN(C(=O)NC[C@@H](c3cccs3)[NH+](C)C)CCO2)n1 ZINC000193275796 552988433 /nfs/dbraw/zinc/98/84/33/552988433.db2.gz GKAYZHVJIUHXFC-UONOGXRCSA-N 1 0 380.539 2.899 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CCCN(S(=O)(=O)c2cc(Cl)c(Br)cc2F)C1 ZINC000193285071 552989118 /nfs/dbraw/zinc/98/91/18/552989118.db2.gz LRADOSNHDYOBLC-BDAKNGLRSA-N 1 0 399.713 2.990 20 0 GFADRO C[C@@H]1CCNC(=O)[C@H]1[NH2+]Cc1ccnc(-c2ccc(Br)cc2)n1 ZINC000193586433 552997768 /nfs/dbraw/zinc/99/77/68/552997768.db2.gz TWAMXMQDBLWXST-ABAIWWIYSA-N 1 0 375.270 2.520 20 0 GFADRO CC[NH+]1CCN(C[C@@H](C)CNS(=O)(=O)c2cccc(Cl)c2Cl)CC1 ZINC000193901283 553006320 /nfs/dbraw/zinc/00/63/20/553006320.db2.gz YOGYEQUWHDJPHS-ZDUSSCGKSA-N 1 0 394.368 2.545 20 0 GFADRO C[C@@H]([NH2+]CCN1CCN(c2ncccn2)CC1)c1cc(Br)cs1 ZINC000193981635 553008797 /nfs/dbraw/zinc/00/87/97/553008797.db2.gz ZTENTDSYURMKMX-CYBMUJFWSA-N 1 0 396.358 2.773 20 0 GFADRO COCc1nc2n(n1)C[C@@H]([NH2+][C@H]1CCc3ccc(Br)cc31)CC2 ZINC000193994570 553009323 /nfs/dbraw/zinc/00/93/23/553009323.db2.gz UFRICNQLASMKJP-ZFWWWQNUSA-N 1 0 377.286 2.779 20 0 GFADRO O=C([C@H]1Cc2cc(Br)ccc2O1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000194205137 553014191 /nfs/dbraw/zinc/01/41/91/553014191.db2.gz KFAJDUASVYMTQY-NVXWUHKLSA-N 1 0 379.298 2.839 20 0 GFADRO COc1ccc(S(=O)(=O)N(C)CC[NH+]2CCCCC2)cc1Br ZINC000194442205 553020975 /nfs/dbraw/zinc/02/09/75/553020975.db2.gz LSMHVFWWTQYNIC-UHFFFAOYSA-N 1 0 391.331 2.564 20 0 GFADRO C[C@@H](NS(=O)(=O)c1cccc2nsnc21)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000194802116 553030481 /nfs/dbraw/zinc/03/04/81/553030481.db2.gz QUTPAWDQJKMYQP-OLZOCXBDSA-N 1 0 380.539 2.623 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)c2ccc(I)c(Cl)c2)C1 ZINC000226542630 553061599 /nfs/dbraw/zinc/06/15/99/553061599.db2.gz RUIDIHWUTJZCCP-PSASIEDQSA-N 1 0 378.641 2.754 20 0 GFADRO CCOC1CC(C[NH2+]Cc2ccccc2Br)(N2CCOCC2)C1 ZINC000195459601 553049448 /nfs/dbraw/zinc/04/94/48/553049448.db2.gz KPHOLUOGJDIBHO-UHFFFAOYSA-N 1 0 383.330 2.809 20 0 GFADRO CN(CCC[NH+](C)C)C(=O)c1cc(Cl)ccc1I ZINC000224498138 553057415 /nfs/dbraw/zinc/05/74/15/553057415.db2.gz ZFBXYLCXMNYHNW-UHFFFAOYSA-N 1 0 380.657 2.968 20 0 GFADRO [NH3+]C[C@@H]1CCCN(C(=O)c2ccc(I)c(Cl)c2)C1 ZINC000226231732 553060925 /nfs/dbraw/zinc/06/09/25/553060925.db2.gz JUKIYQFQDDVNER-VIFPVBQESA-N 1 0 378.641 2.756 20 0 GFADRO C[C@H]1C[C@H](NC(=O)c2ccc(F)cc2I)CC[N@@H+]1C ZINC000227525814 553062738 /nfs/dbraw/zinc/06/27/38/553062738.db2.gz RALQHIYRXYDYQS-GXSJLCMTSA-N 1 0 376.213 2.643 20 0 GFADRO COC[C@@H](O)CC[NH2+]Cc1cc(Br)c(OC)c(Br)c1 ZINC000231607856 553066506 /nfs/dbraw/zinc/06/65/06/553066506.db2.gz ZRTGVAYIKHFALL-JTQLQIEISA-N 1 0 397.107 2.707 20 0 GFADRO [NH3+]CC[C@H]1CCCCN1S(=O)(=O)c1ccc(Cl)c(Br)c1 ZINC000236254961 553068631 /nfs/dbraw/zinc/06/86/31/553068631.db2.gz FAFRCQIPHUCXAU-SNVBAGLBSA-N 1 0 381.723 2.995 20 0 GFADRO CC(C)C[C@@H](C[NH3+])NC(=O)CCC[S@@](=O)c1ccc(Br)cc1 ZINC000236619670 553069905 /nfs/dbraw/zinc/06/99/05/553069905.db2.gz YGVHWCWYIPEVJK-RCDICMHDSA-N 1 0 389.359 2.827 20 0 GFADRO CC(C)C[C@@H]([NH3+])C(=O)NC1CCN(Cc2ccc(Br)cc2)CC1 ZINC000236707243 553071000 /nfs/dbraw/zinc/07/10/00/553071000.db2.gz MVYMJPDINOUNTR-QGZVFWFLSA-N 1 0 382.346 2.903 20 0 GFADRO O=C(CC1CC[NH2+]CC1)NC[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000236716202 553071052 /nfs/dbraw/zinc/07/10/52/553071052.db2.gz OCNRLGQHXCOGKC-OAHLLOKOSA-N 1 0 380.330 2.781 20 0 GFADRO CCC([NH3+])(CC)CNS(=O)(=O)c1cc(Br)c(C)cc1OC ZINC000236849033 553072066 /nfs/dbraw/zinc/07/20/66/553072066.db2.gz UFSWYXBKNOBVAW-UHFFFAOYSA-N 1 0 379.320 2.562 20 0 GFADRO CC[NH2+]CC1CCN(C(=O)c2cc(=O)c3cc(Br)ccc3[nH]2)CC1 ZINC000236849971 553072344 /nfs/dbraw/zinc/07/23/44/553072344.db2.gz QLLQFYFOKYNKRT-UHFFFAOYSA-N 1 0 392.297 2.752 20 0 GFADRO CCN(CC)c1ncc(C[NH2+]Cc2ccc(S(=O)(=O)N(C)C)cc2)s1 ZINC000236950271 553072693 /nfs/dbraw/zinc/07/26/93/553072693.db2.gz MZYUFBGCDMRTNZ-UHFFFAOYSA-N 1 0 382.555 2.529 20 0 GFADRO CCOCCOc1ccc(Br)cc1/C=C/C(=O)N1CCC[NH2+]CC1 ZINC000236946838 553072933 /nfs/dbraw/zinc/07/29/33/553072933.db2.gz CTXHJTVJCQZPAB-QPJJXVBHSA-N 1 0 397.313 2.700 20 0 GFADRO COc1ccc(Br)cc1C(=O)CCC(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000237110079 553074740 /nfs/dbraw/zinc/07/47/40/553074740.db2.gz XVCNQEKOQDVUDW-NEPJUHHUSA-N 1 0 383.286 2.629 20 0 GFADRO COCC[C@H](Cc1cccc(Br)c1)C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000237116499 553074769 /nfs/dbraw/zinc/07/47/69/553074769.db2.gz CYVCYGHNSSUBMN-JKSUJKDBSA-N 1 0 383.330 2.842 20 0 GFADRO COCC[C@@H](Cc1cccc(Br)c1)C(=O)N[C@@](C)(C[NH3+])C1CC1 ZINC000237107467 553074806 /nfs/dbraw/zinc/07/48/06/553074806.db2.gz PDZHVQGVYALSIW-KSSFIOAISA-N 1 0 383.330 2.888 20 0 GFADRO CCc1c(C(=O)NC[C@H]2CCC[NH2+]C2)cnn1-c1ccc(Br)cc1 ZINC000237106061 553074852 /nfs/dbraw/zinc/07/48/52/553074852.db2.gz IVBOEOPOEOSFKK-ZDUSSCGKSA-N 1 0 391.313 2.927 20 0 GFADRO COC(=O)C[C@H](NC(=O)[C@H]1CCC[C@@H]([NH3+])C1)c1ccc(Br)cc1 ZINC000237221534 553076129 /nfs/dbraw/zinc/07/61/29/553076129.db2.gz DXTCYGXLLNYFEV-CFVMTHIKSA-N 1 0 383.286 2.687 20 0 GFADRO C[NH2+]C[C@@H]1CCCN(C(=O)c2ccc(S(=O)(=O)c3ccccc3)s2)C1 ZINC000237258108 553076471 /nfs/dbraw/zinc/07/64/71/553076471.db2.gz BUBYIRIVNZCTQQ-AWEZNQCLSA-N 1 0 378.519 2.653 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)[C@@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000237435551 553077613 /nfs/dbraw/zinc/07/76/13/553077613.db2.gz PBWXGUODGVKMEH-GUTXKFCHSA-N 1 0 394.313 2.530 20 0 GFADRO C[C@H](NC(=O)[C@@H]1C[NH2+]CCO1)c1nc(-c2ccc(Br)cc2)cs1 ZINC000237461672 553078080 /nfs/dbraw/zinc/07/80/80/553078080.db2.gz TUPCGXZGRBCBFR-HZMBPMFUSA-N 1 0 396.310 2.738 20 0 GFADRO C[C@H](NC(=O)C1CC[NH2+]CC1)c1nc(-c2ccc(Br)cc2)no1 ZINC000237560483 553079389 /nfs/dbraw/zinc/07/93/89/553079389.db2.gz MNZSHTCKWPXNEA-JTQLQIEISA-N 1 0 379.258 2.676 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CNC(=O)C[C@@H](C)C1CC[NH2+]CC1 ZINC000237602695 553079940 /nfs/dbraw/zinc/07/99/40/553079940.db2.gz SPWRULXPYKKGEM-CYBMUJFWSA-N 1 0 396.329 2.838 20 0 GFADRO Cc1nn(Cc2cccc(Br)c2)c(C)c1C(=O)NCCCC[NH3+] ZINC000237621047 553080051 /nfs/dbraw/zinc/08/00/51/553080051.db2.gz RBBKXVGVENNNPF-UHFFFAOYSA-N 1 0 379.302 2.779 20 0 GFADRO C[C@H](NC(=O)c1ccc(C[NH3+])o1)c1cc2c(cc1Br)OCCO2 ZINC000237608489 553080110 /nfs/dbraw/zinc/08/01/10/553080110.db2.gz NVLOFSCAPYACAI-VIFPVBQESA-N 1 0 381.226 2.763 20 0 GFADRO O=C(C[NH2+]C[C@H]1CCCO1)N1CCO[C@H](c2cc(F)c(Cl)cc2Cl)C1 ZINC000237708951 553080998 /nfs/dbraw/zinc/08/09/98/553080998.db2.gz RHYCYINEWWOKDK-BZNIZROVSA-N 1 0 391.270 2.801 20 0 GFADRO O=C(CCOc1ccc(Cl)cc1Br)NC[C@@H]1CCC[NH2+]C1 ZINC000237761192 553081588 /nfs/dbraw/zinc/08/15/88/553081588.db2.gz JZSNYHPWYFWMJC-LLVKDONJSA-N 1 0 375.694 2.987 20 0 GFADRO Cc1c(C(=O)N2CCC[C@H](C[NH3+])C2)cnn1-c1cccc(Br)c1 ZINC000237754584 553081867 /nfs/dbraw/zinc/08/18/67/553081867.db2.gz AWOJHDOQLLQMQQ-CYBMUJFWSA-N 1 0 377.286 2.754 20 0 GFADRO Cc1c(C(=O)NC[C@@H]2CCCC[NH2+]2)cnn1-c1cccc(Br)c1 ZINC000237803104 553082422 /nfs/dbraw/zinc/08/24/22/553082422.db2.gz JDUUESPNJDOZGN-AWEZNQCLSA-N 1 0 377.286 2.815 20 0 GFADRO C[C@]1(C(=O)N2CCN(C(=O)c3cccc(Cl)c3Cl)CC2)CCC[NH2+]C1 ZINC000237798124 553082424 /nfs/dbraw/zinc/08/24/24/553082424.db2.gz IGPFHZVPSCMMHP-SFHVURJKSA-N 1 0 384.307 2.668 20 0 GFADRO Cc1c(C(=O)N[C@@H]2CCC[C@H]2C[NH3+])cnn1-c1ccc(Br)cc1 ZINC000237833613 553082801 /nfs/dbraw/zinc/08/28/01/553082801.db2.gz JLWWBESBBIWBJI-BLLLJJGKSA-N 1 0 377.286 2.800 20 0 GFADRO O=C(NC[C@H]1CCCN(C(=O)c2c(Cl)cccc2Cl)C1)[C@H]1CCC[NH2+]1 ZINC000237837460 553082922 /nfs/dbraw/zinc/08/29/22/553082922.db2.gz AZFYRCINFUPORH-IUODEOHRSA-N 1 0 384.307 2.714 20 0 GFADRO O=C(NC[C@@H]1CCCN(C(=O)c2cccc(Cl)c2Cl)C1)[C@H]1CCC[NH2+]1 ZINC000237837304 553083059 /nfs/dbraw/zinc/08/30/59/553083059.db2.gz PNEDXHJKHHCRIG-SWLSCSKDSA-N 1 0 384.307 2.714 20 0 GFADRO [NH3+]CC1(NS(=O)(=O)c2c(Cl)cc(F)cc2Br)CCCC1 ZINC000238021393 553085314 /nfs/dbraw/zinc/08/53/14/553085314.db2.gz QBDSLGHPJRSZMU-UHFFFAOYSA-N 1 0 385.686 2.791 20 0 GFADRO C[C@H](C(=O)Nc1ccc(Br)cc1)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000245440898 553090899 /nfs/dbraw/zinc/09/08/99/553090899.db2.gz UZETYDDPJULFIE-RNCFNFMXSA-N 1 0 381.192 2.775 20 0 GFADRO Cc1nc(SCCC(=O)NC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)n[nH]1 ZINC000245445989 553090929 /nfs/dbraw/zinc/09/09/29/553090929.db2.gz ZJEVEDWLTUQVHU-CZUORRHYSA-N 1 0 379.555 2.856 20 0 GFADRO COc1cc(Cl)c(S(=O)(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1Cl ZINC000245494176 553091647 /nfs/dbraw/zinc/09/16/47/553091647.db2.gz MZHWGRLVVPCVHK-MNOVXSKESA-N 1 0 379.309 2.859 20 0 GFADRO Cc1ccc(Br)c(NC(=O)C(=O)NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000245602121 553093458 /nfs/dbraw/zinc/09/34/58/553093458.db2.gz WGUOYAJDAFDDCK-KGLIPLIRSA-N 1 0 396.329 2.933 20 0 GFADRO C[C@H](Oc1cccc(Br)c1)C(=O)NCCCC[N@@H+]1CCC[C@H]1CO ZINC000245672295 553094831 /nfs/dbraw/zinc/09/48/31/553094831.db2.gz DUSFNKPELYHSER-HOCLYGCPSA-N 1 0 399.329 2.570 20 0 GFADRO CC[C@H]1C[N@H+](C[C@@H](O)COCc2ccccc2Cl)CCN1CC(F)F ZINC000245794422 553096767 /nfs/dbraw/zinc/09/67/67/553096767.db2.gz XZHBFODROUUYSJ-JKSUJKDBSA-N 1 0 376.875 2.879 20 0 GFADRO O=C(NC[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1)c1cccc(Br)c1 ZINC000245854320 553098373 /nfs/dbraw/zinc/09/83/73/553098373.db2.gz JSXIDVYCCOMUBH-ROUUACIJSA-N 1 0 389.293 2.814 20 0 GFADRO Cc1cc(S(=O)(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)ccc1Br ZINC000246127591 553102898 /nfs/dbraw/zinc/10/28/98/553102898.db2.gz JKHVJSSFXYTLCW-STQMWFEESA-N 1 0 375.332 2.861 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H]1C(=O)N[C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000246202054 553104652 /nfs/dbraw/zinc/10/46/52/553104652.db2.gz FBRAJGWHXBMAPF-GMXVVIOVSA-N 1 0 376.810 2.576 20 0 GFADRO Cc1ccc(Br)cc1S(=O)(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000246520291 553109346 /nfs/dbraw/zinc/10/93/46/553109346.db2.gz CJNBQZQLCPYYNS-UKRRQHHQSA-N 1 0 387.343 2.862 20 0 GFADRO C[N@@H+]1CCC[C@H]2CN(S(=O)(=O)c3cccc(OC(F)(F)F)c3)CC[C@H]21 ZINC000246870153 553114195 /nfs/dbraw/zinc/11/41/95/553114195.db2.gz DIQVGOGEDNKOKY-SWLSCSKDSA-N 1 0 378.416 2.690 20 0 GFADRO Cc1ccc(S(=O)(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)c(Br)c1 ZINC000247540547 553123116 /nfs/dbraw/zinc/12/31/16/553123116.db2.gz PZKRHLQTZZBJPW-UKRRQHHQSA-N 1 0 387.343 2.862 20 0 GFADRO C[N@@H+]1CCC[C@H]2CN(C(=O)CNC(=O)c3ccc(Cl)c(Cl)c3)CC[C@H]21 ZINC000248169018 553127932 /nfs/dbraw/zinc/12/79/32/553127932.db2.gz UJCFLKBLVBRDKJ-XJKSGUPXSA-N 1 0 384.307 2.666 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000248667308 553132280 /nfs/dbraw/zinc/13/22/80/553132280.db2.gz XAUBBNHCTOZEMK-AFAVFJNCSA-N 1 0 389.297 2.753 20 0 GFADRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)[C@H]2Cc3cc(Br)ccc3O2)C1 ZINC000248799287 553135153 /nfs/dbraw/zinc/13/51/53/553135153.db2.gz ZRCTZXKVLZWTAN-CXAGYDPISA-N 1 0 381.314 2.847 20 0 GFADRO C[C@H](O)C[N@@H+]1CCN(C(=O)Cc2cc(Cl)ccc2Br)[C@H](C)C1 ZINC000248828119 553135518 /nfs/dbraw/zinc/13/55/18/553135518.db2.gz DIIPYLJAZVRIJK-NEPJUHHUSA-N 1 0 389.721 2.559 20 0 GFADRO COC(=O)[C@@H]1CC[N@H+](CCC(=O)Nc2cccc(Br)c2)C[C@H]1C ZINC000249124033 553139772 /nfs/dbraw/zinc/13/97/72/553139772.db2.gz TYPXPLGBBWGGQD-IUODEOHRSA-N 1 0 383.286 2.909 20 0 GFADRO CCOCCC[N@@H+]1CC[C@H](NCC(=O)NCc2ccc(Cl)s2)[C@@H](C)C1 ZINC000249489860 553143783 /nfs/dbraw/zinc/14/37/83/553143783.db2.gz VCNSHXPPZJCDJH-HOCLYGCPSA-N 1 0 387.977 2.744 20 0 GFADRO CC(=O)NC[C@@H]1CCC[N@H+](C[C@@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000249823479 553146641 /nfs/dbraw/zinc/14/66/41/553146641.db2.gz OSQIUXUINQKANR-DZGCQCFKSA-N 1 0 375.296 2.581 20 0 GFADRO O=S(=O)(c1sccc1Br)N1CCCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000250151981 553147302 /nfs/dbraw/zinc/14/73/02/553147302.db2.gz ASYSPASECSQVQJ-NEPJUHHUSA-N 1 0 379.345 2.806 20 0 GFADRO C[C@@H]1CN(Cc2cc(Br)cc(Br)c2N)CC[C@H]1O ZINC000250115605 553147529 /nfs/dbraw/zinc/14/75/29/553147529.db2.gz UJNVPFOLWCYKHC-PRHODGIISA-N 1 0 378.108 2.997 20 0 GFADRO CC[C@@H](C)[N@H+](C)CCNC(=O)N(C)[C@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000251742020 553148424 /nfs/dbraw/zinc/14/84/24/553148424.db2.gz QKYLOHAVHDYXGW-DOMZBBRYSA-N 1 0 387.933 2.540 20 0 GFADRO Brc1cnc(CN2CC[C@@]3(CC[NH2+]C3)C2)c(Br)c1 ZINC000261580389 553153271 /nfs/dbraw/zinc/15/32/71/553153271.db2.gz PZPLWGRQJFKVGO-CYBMUJFWSA-N 1 0 375.108 2.792 20 0 GFADRO O=S(=O)(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1c(Cl)cccc1Br ZINC000261621561 553154422 /nfs/dbraw/zinc/15/44/22/553154422.db2.gz AFMATYYBKOADDL-ULKQDVFKSA-N 1 0 379.707 2.664 20 0 GFADRO O=C(NC[C@H]1CCCN(Cc2ccc(F)c(Br)c2)C1)[C@H]1CCC[NH2+]1 ZINC000261636381 553154793 /nfs/dbraw/zinc/15/47/93/553154793.db2.gz HWNFNJQKQSMNBY-RHSMWYFYSA-N 1 0 398.320 2.668 20 0 GFADRO O=S(=O)(c1ccccc1OC(F)(F)F)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000261643972 553154999 /nfs/dbraw/zinc/15/49/99/553154999.db2.gz IVFROYKEJJLRRL-ZDUSSCGKSA-N 1 0 378.416 2.738 20 0 GFADRO C[C@]([NH3+])(C(=O)NCCOc1ccc(Cl)cn1)c1ccc(Br)cc1 ZINC000261651105 553155375 /nfs/dbraw/zinc/15/53/75/553155375.db2.gz BJTOGVSCPRVMLU-MRXNPFEDSA-N 1 0 398.688 2.867 20 0 GFADRO C[C@]([NH3+])(C(=O)N1CCC(n2ccnc2)CC1)c1ccc(Br)cc1 ZINC000261714857 553157259 /nfs/dbraw/zinc/15/72/59/553157259.db2.gz JODJHLUNIKZTLB-QGZVFWFLSA-N 1 0 377.286 2.683 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CCCCN1S(=O)(=O)c1cc(Cl)ccc1Br ZINC000261796131 553159957 /nfs/dbraw/zinc/15/99/57/553159957.db2.gz LIRHUFJMFYKTRH-SKDRFNHKSA-N 1 0 381.723 2.993 20 0 GFADRO [NH3+][C@@H]1CN(S(=O)(=O)c2ccc(Br)cc2)C[C@H]1c1ccccc1 ZINC000261859174 553161274 /nfs/dbraw/zinc/16/12/74/553161274.db2.gz RBXGFQDKNUUBSC-JKSUJKDBSA-N 1 0 381.295 2.565 20 0 GFADRO CN(CCNC(=O)[C@](C)([NH3+])c1ccc(Br)cc1)c1ccccc1 ZINC000261879738 553161683 /nfs/dbraw/zinc/16/16/83/553161683.db2.gz YVMUYDQMLWYCMQ-GOSISDBHSA-N 1 0 376.298 2.876 20 0 GFADRO C[C@@H](NC(=O)C[C@@H]1CCC[C@H]1[NH3+])c1cc2c(cc1Br)OCCO2 ZINC000261873128 553161846 /nfs/dbraw/zinc/16/18/46/553161846.db2.gz YCKYOKGTNNBDTG-UHIISALHSA-N 1 0 383.286 2.915 20 0 GFADRO O=C(C[C@@H]1Sc2ccc(Cl)cc2NC1=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000261893000 553162280 /nfs/dbraw/zinc/16/22/80/553162280.db2.gz VJTCBZJCMCUZNO-OZVIIMIRSA-N 1 0 379.913 2.601 20 0 GFADRO C[C@@]([NH3+])(C(=O)NC[C@@H]1COc2ccccc2O1)c1ccc(Br)cc1 ZINC000261978506 553164141 /nfs/dbraw/zinc/16/41/41/553164141.db2.gz OGJPZESQDMPCEH-KDOFPFPSSA-N 1 0 391.265 2.579 20 0 GFADRO C[C@]([NH3+])(C(=O)NC[C@H]1COc2ccccc2O1)c1ccc(Br)cc1 ZINC000261978498 553164162 /nfs/dbraw/zinc/16/41/62/553164162.db2.gz OGJPZESQDMPCEH-KBXCAEBGSA-N 1 0 391.265 2.579 20 0 GFADRO Cc1ccc(Br)cc1S(=O)(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000262005372 553164167 /nfs/dbraw/zinc/16/41/67/553164167.db2.gz VRWIRFWZYQNIDV-OAHLLOKOSA-N 1 0 387.343 2.910 20 0 GFADRO O=S(=O)(c1cccc(Br)c1Cl)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000262037442 553164582 /nfs/dbraw/zinc/16/45/82/553164582.db2.gz KTUVIJVCXRIWGC-JTQLQIEISA-N 1 0 379.707 2.618 20 0 GFADRO CN(CC(=O)N1CC[NH2+]C[C@@H]1c1cccc(Cl)c1)C(=O)c1cccs1 ZINC000262062793 553165209 /nfs/dbraw/zinc/16/52/09/553165209.db2.gz RSUDVMBMOCZGFB-OAHLLOKOSA-N 1 0 377.897 2.647 20 0 GFADRO C[C@H](C[NH3+])C(=O)N1CCC[C@H]1c1nc(Cc2ccc(Br)cc2)no1 ZINC000262188965 553167073 /nfs/dbraw/zinc/16/70/73/553167073.db2.gz LULPOSQRJMVQRT-RISCZKNCSA-N 1 0 393.285 2.681 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H](C(=O)NC[C@H]2CCN(c3ccc(Br)cc3)C2)C1 ZINC000262319125 553169278 /nfs/dbraw/zinc/16/92/78/553169278.db2.gz VHKJCNSEPPHAOF-IIAWOOMASA-N 1 0 380.330 2.909 20 0 GFADRO CCOc1cc(Br)c(NC(=O)C[C@H]2COCC[NH2+]2)cc1OCC ZINC000262541691 553172576 /nfs/dbraw/zinc/17/25/76/553172576.db2.gz NKDAXEBALSUBCF-NSHDSACASA-N 1 0 387.274 2.564 20 0 GFADRO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000262593254 553172937 /nfs/dbraw/zinc/17/29/37/553172937.db2.gz SLDOWMKJPMGMQN-LLVKDONJSA-N 1 0 379.254 2.593 20 0 GFADRO CN(CC(C)(C)C[NH3+])C(=O)CCC[S@@](=O)c1ccc(Br)cc1 ZINC000262584057 553173012 /nfs/dbraw/zinc/17/30/12/553173012.db2.gz MRVIYCHXEXGEHJ-JOCHJYFZSA-N 1 0 389.359 2.780 20 0 GFADRO Cc1c(C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)cnn1-c1ccc(Br)cc1 ZINC000262598897 553173056 /nfs/dbraw/zinc/17/30/56/553173056.db2.gz NGBDGIGDFQSNLU-CABCVRRESA-N 1 0 389.297 2.910 20 0 GFADRO Cc1c(C(=O)NCC[C@H]2CC[NH2+]C2)cnn1-c1ccc(Br)cc1 ZINC000262602529 553173096 /nfs/dbraw/zinc/17/30/96/553173096.db2.gz XXYOJYFXLMYDPR-CYBMUJFWSA-N 1 0 377.286 2.673 20 0 GFADRO O=C(c1ccc(S(=O)(=O)c2ccccc2)s1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262641896 553173369 /nfs/dbraw/zinc/17/33/69/553173369.db2.gz QWPPEGCADAHFIV-KGLIPLIRSA-N 1 0 376.503 2.547 20 0 GFADRO COc1ccc(Br)cc1C(=O)CCC(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262645307 553173461 /nfs/dbraw/zinc/17/34/61/553173461.db2.gz SIIWUMSNKYXEND-KGLIPLIRSA-N 1 0 395.297 2.774 20 0 GFADRO CCCOc1c(Br)cc(C(=O)N[C@H]2CC[NH2+]C[C@@H]2C)cc1OC ZINC000262709142 553174191 /nfs/dbraw/zinc/17/41/91/553174191.db2.gz CEHRVZFUFPUVEY-FZMZJTMJSA-N 1 0 385.302 2.974 20 0 GFADRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)c1nn(-c2ccc(F)cc2)cc1Br ZINC000262765339 553175300 /nfs/dbraw/zinc/17/53/00/553175300.db2.gz KYWFURSNMNIGOQ-QMTHXVAHSA-N 1 0 381.249 2.502 20 0 GFADRO CC[NH2+][C@H](C)CNS(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCCCO1 ZINC000262786326 553175742 /nfs/dbraw/zinc/17/57/42/553175742.db2.gz QMSDRIYVOHOGNG-HIFRSBDPSA-N 1 0 390.933 2.564 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)N1CC[NH2+][C@H](C)[C@H]1C ZINC000262835704 553176791 /nfs/dbraw/zinc/17/67/91/553176791.db2.gz WFRJPJAPBBYZQP-RBSFLKMASA-N 1 0 384.567 2.560 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)N1CC[NH2+][C@@H](C)[C@@H]1C ZINC000262835725 553176932 /nfs/dbraw/zinc/17/69/32/553176932.db2.gz WFRJPJAPBBYZQP-SOUVJXGZSA-N 1 0 384.567 2.560 20 0 GFADRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)c1ccc(I)c(Cl)c1 ZINC000262891005 553177865 /nfs/dbraw/zinc/17/78/65/553177865.db2.gz WWEFJHJRSNVFMQ-UFBFGSQYSA-N 1 0 378.641 2.672 20 0 GFADRO O=C(CCC1CC[NH2+]CC1)N[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000263148028 553182998 /nfs/dbraw/zinc/18/29/98/553182998.db2.gz CWYONTBOXAOSCT-MRXNPFEDSA-N 1 0 380.330 2.924 20 0 GFADRO CC[NH+]1CCN(CCC(=O)N(C)Cc2cc(Br)ccc2F)CC1 ZINC000263641432 553189913 /nfs/dbraw/zinc/18/99/13/553189913.db2.gz BHJWKRCAYZNOHZ-UHFFFAOYSA-N 1 0 386.309 2.574 20 0 GFADRO CCCNC(=O)C[NH+]1CCC(C(=O)Nc2cccc(Br)c2)CC1 ZINC000263646264 553190088 /nfs/dbraw/zinc/19/00/88/553190088.db2.gz AORMUGHCUCGDPO-UHFFFAOYSA-N 1 0 382.302 2.626 20 0 GFADRO Cc1c2cc(Br)ccc2oc1C(=O)NC[C@H](C)N1CC[NH+](C)CC1 ZINC000263779325 553193653 /nfs/dbraw/zinc/19/36/53/553193653.db2.gz OMNORGMDECBCPV-LBPRGKRZSA-N 1 0 394.313 2.869 20 0 GFADRO C[C@@H](CC[NH3+])NS(=O)(=O)c1csc(-c2ccc(Br)cc2)n1 ZINC000447251240 563877859 /nfs/dbraw/zinc/87/78/59/563877859.db2.gz OKIDBPFWGRTNHQ-VIFPVBQESA-N 1 0 390.328 2.588 20 0 GFADRO CC(C)[C@H]([NH3+])CNC(=O)NCc1ccc(I)c(Cl)c1 ZINC000418168866 563900436 /nfs/dbraw/zinc/90/04/36/563900436.db2.gz XIEZWZKAROGVTP-GFCCVEGCSA-N 1 0 395.672 2.727 20 0 GFADRO OCCOc1ccc(C[NH2+]Cc2ccc(I)cc2)cc1 ZINC000449132560 563906902 /nfs/dbraw/zinc/90/69/02/563906902.db2.gz VHTFPXACGMXPEN-UHFFFAOYSA-N 1 0 383.229 2.952 20 0 GFADRO Cc1ccc(OCCC(=O)N[C@H](CC[NH3+])C(F)(F)F)c(Br)c1 ZINC000449713724 564197692 /nfs/dbraw/zinc/19/76/92/564197692.db2.gz AIPZPWZGQJFLEF-GFCCVEGCSA-N 1 0 383.208 2.922 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(CCCOc3cccc(I)c3)C[C@@H]21 ZINC000449520601 564189518 /nfs/dbraw/zinc/18/95/18/564189518.db2.gz GERSBBIUCPVTQF-CJNGLKHVSA-N 1 0 386.277 2.696 20 0 GFADRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)c1ccc(F)c(I)c1 ZINC000477235640 564369998 /nfs/dbraw/zinc/36/99/98/564369998.db2.gz DHJVYGCODNVSHB-LLVKDONJSA-N 1 0 390.240 2.844 20 0 GFADRO COc1cc(S(=O)(=O)NC(C)(C)CCC[NH+](C)C)ccc1Br ZINC000451897401 564363150 /nfs/dbraw/zinc/36/31/50/564363150.db2.gz WASXILHMOWCITO-UHFFFAOYSA-N 1 0 393.347 2.856 20 0 GFADRO CC(C)[N@H+](C)CC(=O)N[C@H](CO)c1ccc(Br)cc1C(F)(F)F ZINC000478426600 564401477 /nfs/dbraw/zinc/40/14/77/564401477.db2.gz FOISBBWAKOSAHO-CYBMUJFWSA-N 1 0 397.235 2.958 20 0 GFADRO C[C@@H]([NH2+]CC1(CCO)CCC1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000479420648 564439881 /nfs/dbraw/zinc/43/98/81/564439881.db2.gz RBNQLRIMZHKZQB-SNVBAGLBSA-N 1 0 381.325 2.844 20 0 GFADRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)c2ccc(I)cc2F)C1 ZINC000514992189 564464608 /nfs/dbraw/zinc/46/46/08/564464608.db2.gz LAZBANZIKDIACK-NSHDSACASA-N 1 0 390.240 2.890 20 0 GFADRO C[NH+]1CCC(O)(CNC(=O)COc2c(Cl)cc(Cl)cc2Cl)CC1 ZINC000295452817 563248415 /nfs/dbraw/zinc/24/84/15/563248415.db2.gz XXXZIUPYVSMBGM-UHFFFAOYSA-N 1 0 381.687 2.599 20 0 GFADRO C[C@@H]([NH2+][C@@H](CO)CC(C)(C)C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000280879120 563359284 /nfs/dbraw/zinc/35/92/84/563359284.db2.gz CNQFSUNQWHOTKK-ZYHUDNBSSA-N 1 0 393.347 2.544 20 0 GFADRO COc1c(Br)cc(C[NH2+][C@H]2CC(=O)N(C)C2)cc1Br ZINC000312123927 563435886 /nfs/dbraw/zinc/43/58/86/563435886.db2.gz XTJZDADIULGVLA-VIFPVBQESA-N 1 0 392.091 2.541 20 0 GFADRO O=C(/C=C/c1ccc(I)o1)N(C1CC1)C1CC[NH2+]CC1 ZINC000378185176 563498285 /nfs/dbraw/zinc/49/82/85/563498285.db2.gz RVXIKWTUTVWLIQ-GQCTYLIASA-N 1 0 386.233 2.640 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)NCCc2c[nH]c3cccc(Br)c23)C1 ZINC000418200097 563213154 /nfs/dbraw/zinc/21/31/54/563213154.db2.gz PHCFLGAJNNGSKH-DGCLKSJQSA-N 1 0 379.302 2.852 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)NCc1nc2c(cccc2Br)[nH]1 ZINC000418271534 563214657 /nfs/dbraw/zinc/21/46/57/563214657.db2.gz TZZWVEIPPRNKTK-GXFFZTMASA-N 1 0 380.290 2.737 20 0 GFADRO C[C@@]1(CNC(=O)NCc2nc3c(cccc3Br)[nH]2)CCC[NH2+]C1 ZINC000418271742 563214700 /nfs/dbraw/zinc/21/47/00/563214700.db2.gz UNWPWCMWQZHSSR-MRXNPFEDSA-N 1 0 380.290 2.514 20 0 GFADRO CC1(C)CCC[NH2+][C@@H]1CNC(=O)NCc1nc2c(cccc2Br)[nH]1 ZINC000418262332 563214979 /nfs/dbraw/zinc/21/49/79/563214979.db2.gz IESJYFXEGGULQI-CYBMUJFWSA-N 1 0 394.317 2.903 20 0 GFADRO O=C(NCCCN1CC[NH2+]CC1)N(Cc1cccs1)Cc1cccs1 ZINC000418283970 563215579 /nfs/dbraw/zinc/21/55/79/563215579.db2.gz BBPNUPFXRAUHER-UHFFFAOYSA-N 1 0 378.567 2.817 20 0 GFADRO COCCN(Cc1cc(Br)cs1)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000418314311 563215602 /nfs/dbraw/zinc/21/56/02/563215602.db2.gz JGZUVPOXXUKTPR-GFCCVEGCSA-N 1 0 390.347 2.668 20 0 GFADRO [NH3+]C1(CNC(=O)NC[C@@H](CO)Cc2ccc(Br)cc2)CCCCC1 ZINC000418311390 563215683 /nfs/dbraw/zinc/21/56/83/563215683.db2.gz FNCPEMYYSFQXMS-HNNXBMFYSA-N 1 0 398.345 2.561 20 0 GFADRO CC[C@@H]([NH2+][C@H]1CCc2nccn2C1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000369542973 563216123 /nfs/dbraw/zinc/21/61/23/563216123.db2.gz ZIPSXSGXCHDNDG-DZGCQCFKSA-N 1 0 382.917 2.500 20 0 GFADRO O=C(NC[C@H]1CCCC[N@@H+]1C1CC1)C(=O)Nc1ccc(Br)cc1 ZINC000277599025 563216141 /nfs/dbraw/zinc/21/61/41/563216141.db2.gz WQWFUHQKEGTPPF-OAHLLOKOSA-N 1 0 380.286 2.521 20 0 GFADRO [NH3+]C[C@H](NC(=O)N[C@H](CO)c1ccc(Br)cc1)C1CCCCC1 ZINC000418390291 563216292 /nfs/dbraw/zinc/21/62/92/563216292.db2.gz URSCUENICZWIMO-JKSUJKDBSA-N 1 0 384.318 2.689 20 0 GFADRO O=C(N[C@H]1CCC[NH2+]C1)N1CCC[C@@H]1c1ccccc1I ZINC000418389679 563216478 /nfs/dbraw/zinc/21/64/78/563216478.db2.gz WPXLAVLGOZBIOO-SWLSCSKDSA-N 1 0 399.276 2.890 20 0 GFADRO O=C(N[C@@H]1CCC[NH2+]C1)N1CCC[C@@H]1c1ccccc1I ZINC000418389678 563216586 /nfs/dbraw/zinc/21/65/86/563216586.db2.gz WPXLAVLGOZBIOO-IUODEOHRSA-N 1 0 399.276 2.890 20 0 GFADRO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)C[NH2+][C@H]1CCOC[C@@H]1C ZINC000277616943 563216722 /nfs/dbraw/zinc/21/67/22/563216722.db2.gz YHRAGNZZMJSAEX-ZANVPECISA-N 1 0 375.252 2.733 20 0 GFADRO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)N(CCO)Cc1cc(Br)cs1 ZINC000418402649 563217104 /nfs/dbraw/zinc/21/71/04/563217104.db2.gz BHGALKVEEKYYDL-SMDDNHRTSA-N 1 0 390.347 2.532 20 0 GFADRO [NH3+][C@H](CNC(=O)N(CCO)Cc1ccc(Br)s1)c1ccccc1 ZINC000418422231 563217161 /nfs/dbraw/zinc/21/71/61/563217161.db2.gz DCQVNCUAHHUROG-CQSZACIVSA-N 1 0 398.326 2.715 20 0 GFADRO C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)N[C@H](C[NH3+])C2CC2)CC1 ZINC000418393248 563217329 /nfs/dbraw/zinc/21/73/29/563217329.db2.gz FAUVKVRYCLOJBD-CXAGYDPISA-N 1 0 395.345 2.575 20 0 GFADRO CCCC(=O)N1CSC[C@@H]1C(=O)NC[C@H]1CC[N@H+](C)[C@@H]1c1cccs1 ZINC000369567000 563217298 /nfs/dbraw/zinc/21/72/98/563217298.db2.gz FZYUOPZEVBWYOG-CPUCHLNUSA-N 1 0 381.567 2.559 20 0 GFADRO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)N(CCO)Cc1ccc(Br)s1 ZINC000418405812 563217398 /nfs/dbraw/zinc/21/73/98/563217398.db2.gz DRBPTXGUSDBREF-WCQYABFASA-N 1 0 390.347 2.532 20 0 GFADRO [NH3+]C[C@H](NC(=O)N1CCC[C@H]1C(=O)Nc1cc(Cl)cc(Cl)c1)C1CC1 ZINC000418406682 563217438 /nfs/dbraw/zinc/21/74/38/563217438.db2.gz SEQPPIDBUPNPEG-GJZGRUSLSA-N 1 0 385.295 2.843 20 0 GFADRO COc1cc(C[NH2+][C@H]2CCOC[C@@H]2C)cc(I)c1OC ZINC000277635491 563218006 /nfs/dbraw/zinc/21/80/06/563218006.db2.gz CMNFJGKKKUNCGC-GWCFXTLKSA-N 1 0 391.249 2.823 20 0 GFADRO CN(CCn1cc(Br)cn1)C(=O)NCC[NH2+]C1CCCCCC1 ZINC000418448616 563218091 /nfs/dbraw/zinc/21/80/91/563218091.db2.gz QVCMGXBOPQDKSG-UHFFFAOYSA-N 1 0 386.338 2.599 20 0 GFADRO [NH3+]C[C@H](NC(=O)N1CCC(Oc2cccc(Br)c2)CC1)C1CC1 ZINC000418467327 563218145 /nfs/dbraw/zinc/21/81/45/563218145.db2.gz OKNZDXFXBBVQBO-INIZCTEOSA-N 1 0 382.302 2.739 20 0 GFADRO CC(C)[C@H](CNC(=O)c1cccc(F)c1Br)[NH+]1CCN(C)CC1 ZINC000294843584 563218698 /nfs/dbraw/zinc/21/86/98/563218698.db2.gz RYIJNWYKGQZTLJ-HNNXBMFYSA-N 1 0 386.309 2.590 20 0 GFADRO C[C@@H](CC[NH3+])NC(=O)N1CCC(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000418521144 563219151 /nfs/dbraw/zinc/21/91/51/563219151.db2.gz HYSZYRRBRDRMIW-LBPRGKRZSA-N 1 0 397.317 2.547 20 0 GFADRO CC[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)NCCCC[NH3+])CC1 ZINC000418516382 563219626 /nfs/dbraw/zinc/21/96/26/563219626.db2.gz XKGZYCUXPAJMJC-KRWDZBQOSA-N 1 0 397.361 2.966 20 0 GFADRO COCC1(CNC(=O)N2CCc3ccc(Br)cc32)CC[NH2+]CC1 ZINC000418648834 563222240 /nfs/dbraw/zinc/22/22/40/563222240.db2.gz UFDSWMREXAXHIT-UHFFFAOYSA-N 1 0 382.302 2.537 20 0 GFADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)Nc1cc(F)cc(Br)c1F ZINC000369721974 563222707 /nfs/dbraw/zinc/22/27/07/563222707.db2.gz HWUQGCFWSXWJPT-WDEREUQCSA-N 1 0 390.228 2.712 20 0 GFADRO [NH3+][C@H]1CCC[C@H](CNC(=O)N2CCC(n3cc(Br)cn3)CC2)C1 ZINC000418739812 563223733 /nfs/dbraw/zinc/22/37/33/563223733.db2.gz NFHZCDPZLCWBPX-JSGCOSHPSA-N 1 0 384.322 2.510 20 0 GFADRO CN(CCc1ccc(Br)cc1)C(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000418755038 563224163 /nfs/dbraw/zinc/22/41/63/563224163.db2.gz WZXMSPWATBSDSU-CYBMUJFWSA-N 1 0 376.245 2.630 20 0 GFADRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)N2CCO[C@@H](c3ccc(Br)cc3)C2)C1 ZINC000418756649 563224377 /nfs/dbraw/zinc/22/43/77/563224377.db2.gz AIBGPQRQCDKGAG-DAXOMENPSA-N 1 0 382.302 2.659 20 0 GFADRO C[C@@H]1Cc2ccc(Br)cc2CN1C(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000418756757 563224526 /nfs/dbraw/zinc/22/45/26/563224526.db2.gz IVOUEKDARIAQGB-QMTHXVAHSA-N 1 0 388.256 2.903 20 0 GFADRO CC(C)[C@](C)(NC(=O)NC[C@H]1C[NH2+]CCN1C)c1ccc(Br)cc1 ZINC000418768310 563224983 /nfs/dbraw/zinc/22/49/83/563224983.db2.gz RPLATCOJMFMAKT-AEFFLSMTSA-N 1 0 397.361 2.523 20 0 GFADRO O=C(NCCC[C@H]1CCC[NH2+]1)N(CCO)Cc1ccc(Br)s1 ZINC000418765962 563225280 /nfs/dbraw/zinc/22/52/80/563225280.db2.gz KFYJLFPXEKDIIV-GFCCVEGCSA-N 1 0 390.347 2.547 20 0 GFADRO O=C(N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)N1CCN(Cc2ccc(Cl)s2)CC1 ZINC000418796486 563225795 /nfs/dbraw/zinc/22/57/95/563225795.db2.gz RHTFNDYNUAWFMM-RRFJBIMHSA-N 1 0 382.961 2.617 20 0 GFADRO C[C@H](NC(=O)C(=O)NC[C@]1(C)CCC[NH2+]C1)c1cc(F)c(Cl)cc1Cl ZINC000418826240 563226414 /nfs/dbraw/zinc/22/64/14/563226414.db2.gz AYDHWDHUAILGRO-DYZYQPBXSA-N 1 0 390.286 2.816 20 0 GFADRO C[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2C[C@H]2c2ccc(Cl)cc2Cl)[C@H]1C[NH3+] ZINC000418820048 563226743 /nfs/dbraw/zinc/22/67/43/563226743.db2.gz RQBWXGJLCUVTCZ-SUZRMVIJSA-N 1 0 384.307 2.551 20 0 GFADRO C[C@@H]([NH2+][C@H]1CCN(CCN2CCOCC2)C1)c1cccc(Br)c1 ZINC000369883060 563227090 /nfs/dbraw/zinc/22/70/90/563227090.db2.gz PESFAYKNGBPVJQ-QAPCUYQASA-N 1 0 382.346 2.506 20 0 GFADRO COc1cc(OC)c(C[C@H](C)[NH2+]Cc2c(Br)cnn2C)c(OC)c1 ZINC000295062494 563227245 /nfs/dbraw/zinc/22/72/45/563227245.db2.gz QILANQKWRMXJBX-NSHDSACASA-N 1 0 398.301 2.929 20 0 GFADRO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N[C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000418889008 563229609 /nfs/dbraw/zinc/22/96/09/563229609.db2.gz HAUKPQVEOYSXRO-IHRRRGAJSA-N 1 0 384.307 2.566 20 0 GFADRO C[C@@H]1CN(C(=O)C(=O)N[C@H]2C[C@H](c3ccc(Cl)c(Cl)c3)C2)[C@@H](C)C[NH2+]1 ZINC000418896922 563229702 /nfs/dbraw/zinc/22/97/02/563229702.db2.gz WHHYJTBSFYWAHO-ZMJPVWNMSA-N 1 0 384.307 2.564 20 0 GFADRO C[C@H]([NH2+]C[C@@H]1CCC[C@@]12NC(=O)N(C)C2=O)c1ccccc1Br ZINC000370024366 563230953 /nfs/dbraw/zinc/23/09/53/563230953.db2.gz CGUXXUOKTPMWEF-NVGCLXPQSA-N 1 0 380.286 2.820 20 0 GFADRO CC[NH+](CC)CC[C@@H](CO)Nc1nc(C(F)(F)F)c(Br)s1 ZINC000418931239 563231042 /nfs/dbraw/zinc/23/10/42/563231042.db2.gz CYYYILDNNBXKDN-QMMMGPOBSA-N 1 0 390.269 3.429 20 0 GFADRO C[C@H]([NH2+]C[C@H]1CCC[C@@]12NC(=O)N(C)C2=O)c1ccccc1Br ZINC000370024368 563231019 /nfs/dbraw/zinc/23/10/19/563231019.db2.gz CGUXXUOKTPMWEF-XWCIJXRUSA-N 1 0 380.286 2.820 20 0 GFADRO CC[NH+](CC)[C@@H]1CCN(S(=O)(=O)c2cnc(Cl)c(Br)c2)C1 ZINC000295144815 563231135 /nfs/dbraw/zinc/23/11/35/563231135.db2.gz CNZIMEDULDVPIH-SNVBAGLBSA-N 1 0 396.738 2.602 20 0 GFADRO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N[C@H](c1ccc(Br)cc1)C1CCC1 ZINC000418949681 563231769 /nfs/dbraw/zinc/23/17/69/563231769.db2.gz RYIRIJCIFFGGDK-HOTGVXAUSA-N 1 0 396.329 2.506 20 0 GFADRO [NH3+]C[C@H](NC(=O)C(=O)NCCCc1ccc(Cl)cc1Cl)C1CCCC1 ZINC000419035032 563232547 /nfs/dbraw/zinc/23/25/47/563232547.db2.gz DXMGGIQEJUCMND-INIZCTEOSA-N 1 0 386.323 2.676 20 0 GFADRO Cc1ncsc1CCS(=O)(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000295184073 563233707 /nfs/dbraw/zinc/23/37/07/563233707.db2.gz JNKZWPWZXBEOJW-QGZVFWFLSA-N 1 0 379.551 2.578 20 0 GFADRO [NH3+]C[C@@H](NC(=O)C(=O)N[C@@H]1CCc2c1ccc(Cl)c2Cl)C1CCCC1 ZINC000419100346 563234041 /nfs/dbraw/zinc/23/40/41/563234041.db2.gz PYCOVNKTQINWQB-HUUCEWRRSA-N 1 0 384.307 2.731 20 0 GFADRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N[C@H]1CCSc2ccc(Cl)cc21 ZINC000419202071 563234362 /nfs/dbraw/zinc/23/43/62/563234362.db2.gz DAOYWSQYQBUNHW-GJZGRUSLSA-N 1 0 383.945 2.825 20 0 GFADRO C[C@H](NC(=O)C(=O)N1CCC2(C1)CC[NH2+]CC2)c1cccc(Cl)c1Cl ZINC000419243707 563235280 /nfs/dbraw/zinc/23/52/80/563235280.db2.gz JIYQHHGNNKSOOL-LBPRGKRZSA-N 1 0 384.307 2.773 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)N[C@H]2CCSc3ccc(Cl)cc32)C1 ZINC000419222069 563235456 /nfs/dbraw/zinc/23/54/56/563235456.db2.gz WJHIYTRZJVPZHB-HUBLWGQQSA-N 1 0 381.929 2.579 20 0 GFADRO C[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CCSc3ccc(Cl)cc32)[C@@H]1C[NH3+] ZINC000419223210 563235628 /nfs/dbraw/zinc/23/56/28/563235628.db2.gz YFWWJXNFRJNZTI-KCPJHIHWSA-N 1 0 381.929 2.579 20 0 GFADRO O=C(C[NH+]1CCC(c2ccc(Br)cc2)CC1)NC1CCOCC1 ZINC000370190939 563235841 /nfs/dbraw/zinc/23/58/41/563235841.db2.gz BMUFITZYIPAGHE-UHFFFAOYSA-N 1 0 381.314 2.924 20 0 GFADRO C[C@@H]1CN(Cc2ncc(-c3ccccc3Br)o2)[C@@H](C)C[N@@H+]1CCO ZINC000419332094 563236785 /nfs/dbraw/zinc/23/67/85/563236785.db2.gz SPDMIFLYUIQKDY-KGLIPLIRSA-N 1 0 394.313 2.991 20 0 GFADRO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1Cc1coc(-c2ccc(Br)cc2)n1 ZINC000419328873 563237286 /nfs/dbraw/zinc/23/72/86/563237286.db2.gz OZYAZTVSXNOWRR-KBPBESRZSA-N 1 0 394.313 2.991 20 0 GFADRO CC(C)(CNC(=O)C(=O)NCCC[NH2+]C1CC1)c1ccc(Cl)c(Cl)c1 ZINC000419357190 563238622 /nfs/dbraw/zinc/23/86/22/563238622.db2.gz ILPWFQWFGKHSMI-UHFFFAOYSA-N 1 0 386.323 2.646 20 0 GFADRO CCCN(C(=O)C(=O)NC[C@@H](C)c1c(Cl)cccc1Cl)[C@@H]1CC[NH2+]C1 ZINC000419515103 563241000 /nfs/dbraw/zinc/24/10/00/563241000.db2.gz ISDPGGRHAHUNMO-CHWSQXEVSA-N 1 0 386.323 2.814 20 0 GFADRO Cc1nc2ccc(Br)cn2c1C(=O)N1CC[N@@H+](C2CC2)C[C@H](C)C1 ZINC000295305340 563241318 /nfs/dbraw/zinc/24/13/18/563241318.db2.gz JSZIQDDHARGDRO-LBPRGKRZSA-N 1 0 391.313 2.962 20 0 GFADRO C[C@H](Cc1c(Cl)cccc1Cl)NC(=O)C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000419570276 563242294 /nfs/dbraw/zinc/24/22/94/563242294.db2.gz NERATSRNGWQAOM-CHWSQXEVSA-N 1 0 386.323 2.628 20 0 GFADRO C[C@H](C[NH3+])CNC(=O)C(=O)N[C@H](C)c1ccc(-c2ccc(Cl)cc2)s1 ZINC000419610214 563242951 /nfs/dbraw/zinc/24/29/51/563242951.db2.gz FSKYKFLBOVRJDX-VXGBXAGGSA-N 1 0 379.913 2.957 20 0 GFADRO CC(C)[NH+]1CCN([C@H]2CCN(C(=O)c3cccc(Br)c3)C2)CC1 ZINC000370424549 563243239 /nfs/dbraw/zinc/24/32/39/563243239.db2.gz PHAFODHBAZBAOI-KRWDZBQOSA-N 1 0 380.330 2.690 20 0 GFADRO O=C(NCc1cc2c(c(Br)c1)OCO2)C1CC[NH+](C2CC2)CC1 ZINC000278167570 563243573 /nfs/dbraw/zinc/24/35/73/563243573.db2.gz AREKFCQRUYFSAI-UHFFFAOYSA-N 1 0 381.270 2.668 20 0 GFADRO C[C@H](NC(=O)C(=O)N[C@@H]1CC[NH2+]C1)c1ccc(-c2ccc(Cl)cc2)s1 ZINC000419614957 563243857 /nfs/dbraw/zinc/24/38/57/563243857.db2.gz OQBPEPZXWFLAGF-SMDDNHRTSA-N 1 0 377.897 2.724 20 0 GFADRO [NH3+]C1(CNC(=O)C(=O)NCc2cc(Cl)sc2Cl)CCCCCC1 ZINC000419617262 563243989 /nfs/dbraw/zinc/24/39/89/563243989.db2.gz AHWALMJGBRDADR-UHFFFAOYSA-N 1 0 378.325 2.839 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]C[C@@H]1CCO[C@H](C)C1 ZINC000295399995 563245216 /nfs/dbraw/zinc/24/52/16/563245216.db2.gz MBKNDWKOTNPHFR-HZSPNIEDSA-N 1 0 399.329 2.867 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+][C@@H]2CCO[C@@H](c3ccccc3)C2)cc1Cl ZINC000419683429 563245553 /nfs/dbraw/zinc/24/55/53/563245553.db2.gz KTFFSVVOASBSIH-NVXWUHKLSA-N 1 0 380.897 2.997 20 0 GFADRO Cn1cc(Br)cc1C(=O)N1C[C@H](C[NH+](C)C)Oc2ccccc21 ZINC000370505805 563246511 /nfs/dbraw/zinc/24/65/11/563246511.db2.gz YSGIBTDWOWJTKJ-ZDUSSCGKSA-N 1 0 378.270 2.757 20 0 GFADRO Cc1c(CNC(=O)C(=O)N[C@H]2CCC[C@@H]2C[NH3+])sc2ccc(Cl)cc12 ZINC000419708194 563247401 /nfs/dbraw/zinc/24/74/01/563247401.db2.gz LRWJAJLRRYWPTH-RISCZKNCSA-N 1 0 379.913 2.723 20 0 GFADRO C[C@@H]([NH2+]Cc1ccc(S(N)(=O)=O)c(Cl)c1)[C@@H]1OCCc2sccc21 ZINC000419741322 563249085 /nfs/dbraw/zinc/24/90/85/563249085.db2.gz CEEYUSZDFABQOE-HWPZZCPQSA-N 1 0 386.926 2.841 20 0 GFADRO CS(=O)(=O)N1CC[C@H](C[N@@H+]2CCC[C@@H]2c2cccc(Br)c2)C1 ZINC000370585045 563249470 /nfs/dbraw/zinc/24/94/70/563249470.db2.gz TXIMZIYDKHRRHJ-CZUORRHYSA-N 1 0 387.343 2.868 20 0 GFADRO CC[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000419750551 563249547 /nfs/dbraw/zinc/24/95/47/563249547.db2.gz IXYLOLJLIFBCOX-RDTXWAMCSA-N 1 0 386.323 2.628 20 0 GFADRO O=C(N[C@H]1CCC[N@@H+](CCCO)C1)c1c[nH]c2cccc(Br)c12 ZINC000295483001 563249642 /nfs/dbraw/zinc/24/96/42/563249642.db2.gz OEYSQTOHZCXYKO-LBPRGKRZSA-N 1 0 380.286 2.507 20 0 GFADRO O=C(N[C@@H]1CCC[N@@H+](CCCO)C1)c1ccc(Br)cc1Cl ZINC000295502461 563250897 /nfs/dbraw/zinc/25/08/97/563250897.db2.gz PFOSFZUZRWWQAB-GFCCVEGCSA-N 1 0 375.694 2.679 20 0 GFADRO O=C(Nc1ccc(Br)cc1)C(=O)N1CCC([NH2+]C2CCCC2)CC1 ZINC000370709505 563253365 /nfs/dbraw/zinc/25/33/65/563253365.db2.gz RLTMFCNBYBMREW-UHFFFAOYSA-N 1 0 394.313 2.911 20 0 GFADRO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N(Cc1cccs1)Cc1cccs1 ZINC000419955501 563253939 /nfs/dbraw/zinc/25/39/39/563253939.db2.gz NIEMEIMZCZYNAN-AWEZNQCLSA-N 1 0 379.551 2.828 20 0 GFADRO O=C(NCc1ccccc1Br)NC[C@H]1CCC[C@@H]1[NH+]1CCOCC1 ZINC000370759961 563254090 /nfs/dbraw/zinc/25/40/90/563254090.db2.gz PFNVDHBJUUHICJ-WBVHZDCISA-N 1 0 396.329 2.749 20 0 GFADRO CC[C@H](NC(=O)[C@@H]1CC[NH2+]C1)c1noc(-c2cccc(Br)c2)n1 ZINC000370773553 563254759 /nfs/dbraw/zinc/25/47/59/563254759.db2.gz OQHJOWBZMSFJBY-YPMHNXCESA-N 1 0 379.258 2.676 20 0 GFADRO COCC[C@]1(C(=O)Nc2ccc(I)cc2C)CC[NH2+]C1 ZINC000370792662 563255435 /nfs/dbraw/zinc/25/54/35/563255435.db2.gz BILRDUZQRJSQQS-OAHLLOKOSA-N 1 0 388.249 2.554 20 0 GFADRO C[C@H]1CCCN(C(=O)C2CCN(C(=O)c3ccc(Cl)s3)CC2)[C@H]1C[NH3+] ZINC000370793512 563255816 /nfs/dbraw/zinc/25/58/16/563255816.db2.gz MLUYIBGCWQCULE-JSGCOSHPSA-N 1 0 383.945 2.840 20 0 GFADRO C[NH+](C)CC[C@](C)(O)CNC(=O)c1cc(F)c(Br)c(Cl)c1 ZINC000420002725 563255937 /nfs/dbraw/zinc/25/59/37/563255937.db2.gz TUBXCDZUDPUJIJ-AWEZNQCLSA-N 1 0 381.673 2.674 20 0 GFADRO C[N@H+](CCCCN1C(=O)N[C@@H](c2ccc(Br)cc2)C1=O)C1CC1 ZINC000420034579 563256915 /nfs/dbraw/zinc/25/69/15/563256915.db2.gz CNFOTAXQXQXCKG-HNNXBMFYSA-N 1 0 380.286 2.916 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2C(=O)c1c(F)cccc1Br ZINC000370828227 563257210 /nfs/dbraw/zinc/25/72/10/563257210.db2.gz YQTIJBQDTJZMSE-UGFHNGPFSA-N 1 0 385.277 2.912 20 0 GFADRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000420110045 563258316 /nfs/dbraw/zinc/25/83/16/563258316.db2.gz ZCVXUEOHHABFDQ-HFBAOOFYSA-N 1 0 384.307 2.771 20 0 GFADRO C[C@H]1C[C@@H](NC(=O)C(=O)N(Cc2cccs2)Cc2cccs2)CC[NH2+]1 ZINC000420116349 563258981 /nfs/dbraw/zinc/25/89/81/563258981.db2.gz HADKQUJSIYLQTP-KBPBESRZSA-N 1 0 377.535 2.595 20 0 GFADRO [NH3+]C[C@@H]1CC[C@H](NC(=O)C(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000420190132 563259324 /nfs/dbraw/zinc/25/93/24/563259324.db2.gz GTSOGIOYOCSOTR-FFSVYQOJSA-N 1 0 384.307 2.901 20 0 GFADRO Cn1cc([C@H]2[C@@H](CNC(=O)c3coc(Br)c3)CCC[N@@H+]2C)cn1 ZINC000370912320 563259865 /nfs/dbraw/zinc/25/98/65/563259865.db2.gz SRXNHILIGNPDLA-IAQYHMDHSA-N 1 0 381.274 2.589 20 0 GFADRO CC(C)Cc1ncnc(N2CC[C@@H](C)C[C@@H]2C[NH3+])c1I ZINC000420261429 563261119 /nfs/dbraw/zinc/26/11/19/563261119.db2.gz PXACXXANLJQLES-VXGBXAGGSA-N 1 0 388.297 2.843 20 0 GFADRO CN(C[C@@H](O)C[NH3+])[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)c1ccccc1 ZINC000420354602 563262161 /nfs/dbraw/zinc/26/21/61/563262161.db2.gz OXGKFQVBGKDUOX-DLBZAZTESA-N 1 0 382.291 2.925 20 0 GFADRO COCCSCCC[N@H+](C)CCCOc1cccc(S(C)(=O)=O)c1 ZINC000278576411 563262774 /nfs/dbraw/zinc/26/27/74/563262774.db2.gz XOZKZKYXVNYFFC-UHFFFAOYSA-N 1 0 375.556 2.561 20 0 GFADRO O=S(=O)(c1ccc(F)c(C(F)(F)F)c1)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420450796 563263476 /nfs/dbraw/zinc/26/34/76/563263476.db2.gz AYDDCXQSGOJVIB-NHYWBVRUSA-N 1 0 380.407 2.997 20 0 GFADRO Cc1c(S(=O)(=O)N[C@@H]2CC[NH2+]CC2(C)C)cnn1-c1ccc(Cl)cc1 ZINC000420457136 563263569 /nfs/dbraw/zinc/26/35/69/563263569.db2.gz HLTPYGOYUOODCC-MRXNPFEDSA-N 1 0 382.917 2.501 20 0 GFADRO O=S(=O)(c1ccc(C(F)(F)F)cc1F)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420456180 563263795 /nfs/dbraw/zinc/26/37/95/563263795.db2.gz GSAUPKWFEGIVJM-BXUZGUMPSA-N 1 0 380.407 2.997 20 0 GFADRO CS(=O)(=O)[C@H]1CCCN(CCCC(=O)c2ccc(Br)cc2)C1 ZINC000295823000 563263874 /nfs/dbraw/zinc/26/38/74/563263874.db2.gz VKYLGIJYAXPQPM-HNNXBMFYSA-N 1 0 388.327 2.921 20 0 GFADRO CC1(C)C[NH2+]CC[C@H]1NS(=O)(=O)c1cccc(Cl)c1Br ZINC000420462528 563264202 /nfs/dbraw/zinc/26/42/02/563264202.db2.gz MXPVRWIHWMZWOG-LLVKDONJSA-N 1 0 381.723 2.769 20 0 GFADRO CC1(C)C[NH2+]CC[C@@H]1NS(=O)(=O)c1cc(Br)sc1Cl ZINC000420464418 563264582 /nfs/dbraw/zinc/26/45/82/563264582.db2.gz OZRMFXZWZNVNNR-QMMMGPOBSA-N 1 0 387.752 2.830 20 0 GFADRO C[N@@H+]1CC[C@@H](NC(=O)Cc2cc[nH]c(=O)c2Br)[C@@H]1c1ccccc1 ZINC000278690587 563267255 /nfs/dbraw/zinc/26/72/55/563267255.db2.gz PRUPUMIYDGKVGS-PBHICJAKSA-N 1 0 390.281 2.654 20 0 GFADRO C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@@H]1NC(=O)Nc1cncc(Br)c1 ZINC000371195922 563268126 /nfs/dbraw/zinc/26/81/26/563268126.db2.gz AZASJSQIRIVFGB-WQVCFCJDSA-N 1 0 397.317 2.855 20 0 GFADRO CN(C)c1ncc(Br)cc1C(=O)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000371233655 563269376 /nfs/dbraw/zinc/26/93/76/563269376.db2.gz ZRUWUKQEGJPLEF-SWLSCSKDSA-N 1 0 381.318 2.514 20 0 GFADRO O=C1C[C@H]([C@@H]2CCCC[N@H+]2Cc2cc3c(cc2Br)OCO3)CN1 ZINC000371307599 563271718 /nfs/dbraw/zinc/27/17/18/563271718.db2.gz GPIWRZRCFOBUDM-FZMZJTMJSA-N 1 0 381.270 2.668 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2cc(F)ccc2OC(F)F)C[C@H]1C ZINC000420673938 563272204 /nfs/dbraw/zinc/27/22/04/563272204.db2.gz MHNPICBUKHPEGU-YPMHNXCESA-N 1 0 380.432 2.920 20 0 GFADRO CC[NH+](CC)Cc1ccccc1CNS(=O)(=O)CCc1scnc1C ZINC000296130147 563276155 /nfs/dbraw/zinc/27/61/55/563276155.db2.gz YYJNJAIOQIXYFT-UHFFFAOYSA-N 1 0 381.567 2.955 20 0 GFADRO Cc1cn2c(n1)CC[C@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1Br)C2 ZINC000371491682 563279125 /nfs/dbraw/zinc/27/91/25/563279125.db2.gz UPSDBVKSSPDAFM-STQMWFEESA-N 1 0 377.286 2.886 20 0 GFADRO Cc1cc(S(=O)(=O)NC2CCC([NH+](C)C)CC2)sc1Br ZINC000420746722 563282402 /nfs/dbraw/zinc/28/24/02/563282402.db2.gz NFPSMKYBUNJKSM-UHFFFAOYSA-N 1 0 381.361 2.970 20 0 GFADRO O=C(N[C@@H]1CCc2cc(Br)ccc21)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000279082251 563283232 /nfs/dbraw/zinc/28/32/32/563283232.db2.gz VHNWKZXOXVZDQY-SMDDNHRTSA-N 1 0 375.270 2.666 20 0 GFADRO Cc1sc2c(cccc2C)c1S(=O)(=O)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000420751510 563283750 /nfs/dbraw/zinc/28/37/50/563283750.db2.gz OZEQKVUIWCMDFN-OAHLLOKOSA-N 1 0 382.551 2.643 20 0 GFADRO CCC[C@@H]1C(=O)NCCN1C(=O)C1CC[NH+](Cc2ccc(Cl)s2)CC1 ZINC000371665426 563284766 /nfs/dbraw/zinc/28/47/66/563284766.db2.gz MLAKZVXPEFAUNR-OAHLLOKOSA-N 1 0 383.945 2.741 20 0 GFADRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)N[C@@H]1CCN(c2ccccc2Br)C1 ZINC000420787152 563285335 /nfs/dbraw/zinc/28/53/35/563285335.db2.gz JLYFIEPJXPISIJ-HUUCEWRRSA-N 1 0 395.345 2.763 20 0 GFADRO C[C@H](CNC(=O)N(C)C[C@@H]1CCC[N@@H+]1C)Oc1ccc(Br)cc1 ZINC000420785708 563285514 /nfs/dbraw/zinc/28/55/14/563285514.db2.gz AMWQOHWCZXAYDW-HIFRSBDPSA-N 1 0 384.318 2.952 20 0 GFADRO Cn1ccc(N2CC[C@@H]([NH2+]CC3=Cc4cc(Br)ccc4OC3)C2)n1 ZINC000371716169 563285815 /nfs/dbraw/zinc/28/58/15/563285815.db2.gz VNGBZXPZMFDOGS-MRXNPFEDSA-N 1 0 389.297 2.827 20 0 GFADRO Cc1nn(C)c(CNc2ccc(CC[NH+]3CCOCC3)cc2)c1Br ZINC000279144091 563285926 /nfs/dbraw/zinc/28/59/26/563285926.db2.gz OCQKYCONFUIPAE-UHFFFAOYSA-N 1 0 393.329 2.978 20 0 GFADRO NS(=O)(=O)[C@@H]1CCC[N@H+](CCSc2ccnc3cc(Cl)ccc32)C1 ZINC000371778421 563287374 /nfs/dbraw/zinc/28/73/74/563287374.db2.gz QMSNVYBLJBEGGE-CYBMUJFWSA-N 1 0 385.942 2.733 20 0 GFADRO C[C@@H]([NH2+]C[C@]1(O)CCS(=O)(=O)C1)c1ccc(SCC(F)(F)F)cc1 ZINC000296450560 563287773 /nfs/dbraw/zinc/28/77/73/563287773.db2.gz MSBCDPSTJXBSHN-BXUZGUMPSA-N 1 0 383.457 2.541 20 0 GFADRO C[C@@H]([NH2+]CCN1C(=O)CNC1=O)c1nc(-c2ccc(F)c(Cl)c2)cs1 ZINC000371822172 563288209 /nfs/dbraw/zinc/28/82/09/563288209.db2.gz HSMJKCOSFQOZNB-SECBINFHSA-N 1 0 382.848 2.805 20 0 GFADRO O=C(Nc1nc(-c2cccs2)cs1)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000371832707 563289052 /nfs/dbraw/zinc/28/90/52/563289052.db2.gz PTZPOJIEXPCQCB-NEPJUHHUSA-N 1 0 376.507 2.553 20 0 GFADRO CN1CC[NH+](C[C@H]2CCCN(C(=O)c3c(F)cccc3Br)C2)CC1 ZINC000371852687 563289660 /nfs/dbraw/zinc/28/96/60/563289660.db2.gz JHPFDFFSRANMCV-CQSZACIVSA-N 1 0 398.320 2.688 20 0 GFADRO COC(=O)[C@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(Br)cc1 ZINC000279286884 563290257 /nfs/dbraw/zinc/29/02/57/563290257.db2.gz XPPNSKSKDXNNSF-CORIIIEPSA-N 1 0 383.286 2.510 20 0 GFADRO O=C(Cc1cccc(I)c1)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000371932985 563292183 /nfs/dbraw/zinc/29/21/83/563292183.db2.gz FMGUYDLUMILTOJ-GJZGRUSLSA-N 1 0 384.261 2.577 20 0 GFADRO CNC(=O)[C@H]1CC[N@H+](CC(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000420980343 563292117 /nfs/dbraw/zinc/29/21/17/563292117.db2.gz UPZYNMJZHXEPQC-BBRMVZONSA-N 1 0 384.307 2.725 20 0 GFADRO OCCOC1(C[NH2+][C@@H](Cc2ccccc2Br)C2CC2)CCOCC1 ZINC000296563915 563292592 /nfs/dbraw/zinc/29/25/92/563292592.db2.gz UPHFKKIJESJCPE-SFHVURJKSA-N 1 0 398.341 2.918 20 0 GFADRO C[C@@H]1NC(=O)N(CC[N@@H+]2CCCC[C@@H]2Cc2cccc(Br)c2)C1=O ZINC000421035918 563294572 /nfs/dbraw/zinc/29/45/72/563294572.db2.gz IOEALHVIPJUZNF-XJKSGUPXSA-N 1 0 394.313 2.786 20 0 GFADRO C[C@@H]1C[NH+](CCCNC(=O)c2c[nH]c3ncc(Br)cc23)C[C@@H](C)O1 ZINC000279526467 563299535 /nfs/dbraw/zinc/29/95/35/563299535.db2.gz TZFWTWABADNNJC-VXGBXAGGSA-N 1 0 395.301 2.555 20 0 GFADRO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)Nc1cccc(C2SCCS2)c1 ZINC000279534556 563300350 /nfs/dbraw/zinc/30/03/50/563300350.db2.gz IYRSPHJZYSHGOW-CYBMUJFWSA-N 1 0 381.567 2.950 20 0 GFADRO CC[C@H](CS(=O)(=O)Nc1cc(Cl)ccc1N1CC[NH+](CC)CC1)OC ZINC000421224949 563301137 /nfs/dbraw/zinc/30/11/37/563301137.db2.gz JHWRVZYYEYWDKE-OAHLLOKOSA-N 1 0 389.949 2.649 20 0 GFADRO Cc1ccc(I)c(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000296789053 563301484 /nfs/dbraw/zinc/30/14/84/563301484.db2.gz BAMLBSMTGXKTOV-YHWZYXNKSA-N 1 0 384.261 2.955 20 0 GFADRO C[N@@H+]1CC[C@@H](CNC(=O)c2ccc(Br)cc2O)[C@@H]1c1cccnc1 ZINC000372405503 563305637 /nfs/dbraw/zinc/30/56/37/563305637.db2.gz PUYPLEFNAKNTSU-GUYCJALGSA-N 1 0 390.281 2.973 20 0 GFADRO O=S1(=O)CC[C@@H](C[NH2+]C2(c3cccc(C(F)(F)F)c3)CCOCC2)C1 ZINC000279664986 563305617 /nfs/dbraw/zinc/30/56/17/563305617.db2.gz DJNQHJUPQVRJHQ-ZDUSSCGKSA-N 1 0 377.428 2.735 20 0 GFADRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)Nc1cc(Cl)ccc1Br ZINC000421295067 563305902 /nfs/dbraw/zinc/30/59/02/563305902.db2.gz HMGOTHOQWCWEAS-NSHDSACASA-N 1 0 388.693 2.594 20 0 GFADRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)Nc1cccc(Cl)c1Br ZINC000421294135 563306075 /nfs/dbraw/zinc/30/60/75/563306075.db2.gz FVFHVFMVNSFEEQ-JTQLQIEISA-N 1 0 388.693 2.594 20 0 GFADRO O=C(NCc1cc(Br)ccc1OC(F)F)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000372425489 563306373 /nfs/dbraw/zinc/30/63/73/563306373.db2.gz IIXKRDXTPFLXMB-IAQYHMDHSA-N 1 0 375.213 2.666 20 0 GFADRO Cc1nc2ccc(Br)cn2c1C(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000279725160 563308140 /nfs/dbraw/zinc/30/81/40/563308140.db2.gz BQQSOOMJMZAKPS-ZDUSSCGKSA-N 1 0 379.302 2.819 20 0 GFADRO O=C(C[C@@H]1CCC[NH2+]CC1)NCCc1ccc(I)s1 ZINC000372499831 563308609 /nfs/dbraw/zinc/30/86/09/563308609.db2.gz CHFSXYYQDGRXPI-LLVKDONJSA-N 1 0 392.306 2.791 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C[N@@H+](C[C@@H](O)CO)C(C)C ZINC000421403395 563309804 /nfs/dbraw/zinc/30/98/04/563309804.db2.gz FGRSTJQNASJLIS-QGZVFWFLSA-N 1 0 382.302 2.507 20 0 GFADRO COc1ccc(C(=O)N(C)[C@@H]2CCC[NH2+]CC2)c(I)c1 ZINC000372573356 563310741 /nfs/dbraw/zinc/31/07/41/563310741.db2.gz LUIYMWRRMHTUHA-LLVKDONJSA-N 1 0 388.249 2.514 20 0 GFADRO Cc1nc2ccc(Br)cn2c1C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000279813345 563311668 /nfs/dbraw/zinc/31/16/68/563311668.db2.gz HWXCAVVRGNKINU-ZFWWWQNUSA-N 1 0 391.313 2.962 20 0 GFADRO CS(=O)(=O)Nc1c[nH]nc1[C@H]1CCCN(Cc2cc(F)ccc2Cl)C1 ZINC000372592234 563312060 /nfs/dbraw/zinc/31/20/60/563312060.db2.gz ISYBSGILMKHPRI-NSHDSACASA-N 1 0 386.880 2.953 20 0 GFADRO C[N@@H+]1CCC[C@H](CNS(=O)(=O)Cc2ccon2)[C@H]1c1cccc(Cl)c1 ZINC000372625620 563312478 /nfs/dbraw/zinc/31/24/78/563312478.db2.gz OBDMRWCTZLVCMK-RHSMWYFYSA-N 1 0 383.901 2.831 20 0 GFADRO CCS(=O)(=O)c1ccc(CNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)s1 ZINC000279848036 563313078 /nfs/dbraw/zinc/31/30/78/563313078.db2.gz FUMSLRXLLIPIQF-AWEZNQCLSA-N 1 0 384.567 2.813 20 0 GFADRO C[C@H]([NH2+]C[C@H]1CCC[C@]12NC(=O)N(C)C2=O)c1ccc(Br)cc1F ZINC000372708460 563314761 /nfs/dbraw/zinc/31/47/61/563314761.db2.gz ZBEIVIRPRQHMAZ-RVPKQNPDSA-N 1 0 398.276 2.959 20 0 GFADRO CC[C@@H](Cc1cccc(Br)c1)C(=O)N1CCC[N@@H+]([C@@H](C)CO)CC1 ZINC000372733310 563315085 /nfs/dbraw/zinc/31/50/85/563315085.db2.gz WSKNOBNSZIXEPE-RDJZCZTQSA-N 1 0 397.357 2.933 20 0 GFADRO C[C@@H](CO)[N@@H+]1CCCN(Cc2cc(Br)cc3cccnc32)CC1 ZINC000372735752 563315239 /nfs/dbraw/zinc/31/52/39/563315239.db2.gz GQBOMKCYBGOUOD-AWEZNQCLSA-N 1 0 378.314 2.886 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCN(CCN2CCOCC2)C1)c1ccccc1Br ZINC000372783436 563317566 /nfs/dbraw/zinc/31/75/66/563317566.db2.gz KGNNNYLCHWJWNY-JKSUJKDBSA-N 1 0 382.346 2.506 20 0 GFADRO C[C@H](N[C@H]1CC[N@@H+]2CCCC[C@H]12)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000280046093 563320472 /nfs/dbraw/zinc/32/04/72/563320472.db2.gz JGKSYIDRJVRUEG-NZVBXONLSA-N 1 0 392.352 2.918 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)c2ccc(S(C)(=O)=O)s2)C1 ZINC000421767663 563321124 /nfs/dbraw/zinc/32/11/24/563321124.db2.gz BKJYLSSGVNOAHH-HUUCEWRRSA-N 1 0 384.567 2.878 20 0 GFADRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)Nc1nc2cc(Br)ccn2n1 ZINC000297355376 563324108 /nfs/dbraw/zinc/32/41/08/563324108.db2.gz QOAXISVAJHUYFM-WCQYABFASA-N 1 0 393.289 2.582 20 0 GFADRO C[C@@H]1CCN(C(=O)NCC2CC[NH+](Cc3cccs3)CC2)CC[S@]1=O ZINC000297389041 563325446 /nfs/dbraw/zinc/32/54/46/563325446.db2.gz WUYZUDHMOPNOGY-SGANQWHYSA-N 1 0 383.583 2.513 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CN[C@@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000280184167 563326498 /nfs/dbraw/zinc/32/64/98/563326498.db2.gz RUNNUVFGRCVONM-QWRGUYRKSA-N 1 0 380.341 2.776 20 0 GFADRO Cc1sc(Cl)nc1C(=O)N(C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000373036129 563326508 /nfs/dbraw/zinc/32/65/08/563326508.db2.gz PRTUCFBSWYMCND-SFHVURJKSA-N 1 0 379.913 2.814 20 0 GFADRO C[C@@H]1C[C@H](N(C)C(=O)C(=O)N(C)Cc2ccc(Cl)c(Cl)c2)CC[N@@H+]1C ZINC000297573827 563329527 /nfs/dbraw/zinc/32/95/27/563329527.db2.gz BEYRREBEYBSGKG-TZMCWYRMSA-N 1 0 386.323 2.893 20 0 GFADRO COC(=O)CSCc1cccc(NC(=O)[C@]2([NH+](C)C)CCCSC2)c1 ZINC000373165457 563330279 /nfs/dbraw/zinc/33/02/79/563330279.db2.gz HZGUVBKUPARBBG-SFHVURJKSA-N 1 0 382.551 2.859 20 0 GFADRO OC[C@@H](C[NH2+]Cc1nc(-c2cccc(Br)c2)c[nH]1)[C@@H]1CCOC1 ZINC000280295031 563330923 /nfs/dbraw/zinc/33/09/23/563330923.db2.gz NBQIWSRCKZYDSM-ZIAGYGMSSA-N 1 0 380.286 2.574 20 0 GFADRO COCCN(C)c1ccc(C[NH2+]CCCCn2cc(Br)cn2)cn1 ZINC000280303200 563331220 /nfs/dbraw/zinc/33/12/20/563331220.db2.gz BLKZUYMYHKOCMR-UHFFFAOYSA-N 1 0 396.333 2.693 20 0 GFADRO CC[C@@H]([NH2+]CCCc1c[nH]nc1C)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000280310495 563331655 /nfs/dbraw/zinc/33/16/55/563331655.db2.gz OLHLVUVDUDBGNJ-MRXNPFEDSA-N 1 0 384.933 2.953 20 0 GFADRO OC[C@@H](C[NH2+]C1CCN(Cc2ccccc2Br)CC1)[C@H]1CCOC1 ZINC000280382848 563334258 /nfs/dbraw/zinc/33/42/58/563334258.db2.gz VZAXQWGUPPFLIJ-DLBZAZTESA-N 1 0 397.357 2.648 20 0 GFADRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)N[C@@H]1CCSc2ccc(Cl)cc21 ZINC000422281721 563336329 /nfs/dbraw/zinc/33/63/29/563336329.db2.gz YELNPUYXWHTOPR-UKRRQHHQSA-N 1 0 381.929 2.546 20 0 GFADRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)C3(c4ccc(Br)cc4)CCOCC3)C[C@H]12 ZINC000373398200 563336653 /nfs/dbraw/zinc/33/66/53/563336653.db2.gz IMCPNUCLGFWVDD-RRQGHBQHSA-N 1 0 393.325 2.693 20 0 GFADRO CCS(=O)(=O)c1ccc(C[NH2+][C@@H]2CCN(C[C@H]3CCCO3)C[C@H]2C)s1 ZINC000373486939 563339943 /nfs/dbraw/zinc/33/99/43/563339943.db2.gz UMJCLHTWDTVZPI-BFYDXBDKSA-N 1 0 386.583 2.521 20 0 GFADRO CN(Cc1ccccc1Br)C(=O)CC[NH2+][C@@H]1CCn2ccnc21 ZINC000297965904 563340857 /nfs/dbraw/zinc/34/08/57/563340857.db2.gz ZPDILJQYHWAWPN-OAHLLOKOSA-N 1 0 377.286 2.729 20 0 GFADRO CN(Cc1ccccc1Br)C(=O)CC[NH2+][C@H]1CCn2ccnc21 ZINC000297965900 563340906 /nfs/dbraw/zinc/34/09/06/563340906.db2.gz ZPDILJQYHWAWPN-HNNXBMFYSA-N 1 0 377.286 2.729 20 0 GFADRO O=S(=O)(c1cc(Br)sc1Cl)N1CCC2(CC[NH2+]2)CC1 ZINC000422551174 563342650 /nfs/dbraw/zinc/34/26/50/563342650.db2.gz CYEORTNYLISBCS-UHFFFAOYSA-N 1 0 385.736 2.681 20 0 GFADRO CCC[C@H](CCO)C[NH2+][C@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000280541772 563342592 /nfs/dbraw/zinc/34/25/92/563342592.db2.gz HZYCEMZMNXFDQW-VXGBXAGGSA-N 1 0 393.347 2.546 20 0 GFADRO COC(=O)c1cc(NC(=O)NC(C)(C)CC[NH3+])cc(Br)c1F ZINC000422566599 563343391 /nfs/dbraw/zinc/34/33/91/563343391.db2.gz SAJMEMWXXLPTCF-UHFFFAOYSA-N 1 0 376.226 2.624 20 0 GFADRO C[C@@H]1C[C@H](C)N(S(=O)(=O)c2ccc(OCC(F)(F)F)cc2)C[C@H]1C[NH3+] ZINC000422558703 563343474 /nfs/dbraw/zinc/34/34/74/563343474.db2.gz ZLRAIJXRBITYHE-FRRDWIJNSA-N 1 0 380.432 2.622 20 0 GFADRO C[C@H](Cc1ccc(Br)cc1)[NH2+]C[C@H]1CCC[C@@]12NC(=O)N(C)C2=O ZINC000373615410 563343951 /nfs/dbraw/zinc/34/39/51/563343951.db2.gz JFVWGYCZBZWSCF-RVZJWNSFSA-N 1 0 394.313 2.690 20 0 GFADRO C[NH+](C)CCCN(C(=O)c1ccc(Cl)cc1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000298080533 563344252 /nfs/dbraw/zinc/34/42/52/563344252.db2.gz GHAMJMYWORXYHW-ZDUSSCGKSA-N 1 0 393.336 2.574 20 0 GFADRO C[C@@H]1C[N@H+](CCC(=O)Nc2ccc(Br)cc2)C[C@@]2(CCOC2)O1 ZINC000280578905 563344419 /nfs/dbraw/zinc/34/44/19/563344419.db2.gz SOXDXZLRXUOHPX-CXAGYDPISA-N 1 0 383.286 2.658 20 0 GFADRO CC(C)(CC[NH3+])NC(=O)NC[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000422599259 563344600 /nfs/dbraw/zinc/34/46/00/563344600.db2.gz QCLGWNIKQCHHGT-CYBMUJFWSA-N 1 0 383.334 2.702 20 0 GFADRO CCn1c(CNC(=O)NC(C)(C)CC[NH3+])nc2cc(Br)ccc21 ZINC000422618565 563344607 /nfs/dbraw/zinc/34/46/07/563344607.db2.gz LQMOUENPUMYXTE-UHFFFAOYSA-N 1 0 382.306 2.745 20 0 GFADRO C[C@@H]1CC[N@H+](CC(=O)N2CCc3sccc3[C@@H]2c2cccs2)[C@H]1CO ZINC000373655259 563345126 /nfs/dbraw/zinc/34/51/26/563345126.db2.gz WLOAAISFBYENPG-FRIZHTMISA-N 1 0 376.547 2.986 20 0 GFADRO C[C@@H]1C[C@H](C)N(CCS(=O)(=O)c2cccc(Br)c2)C[C@@H]1C[NH3+] ZINC000422640089 563345223 /nfs/dbraw/zinc/34/52/23/563345223.db2.gz UWVALKRWLXYBEK-RDBSUJKOSA-N 1 0 389.359 2.528 20 0 GFADRO COc1cc(C(=O)N2c3ccccc3C[C@H]2C[NH3+])cc(OC)c1Br ZINC000422622130 563345268 /nfs/dbraw/zinc/34/52/68/563345268.db2.gz ZTQHBTZREMVIQY-ZDUSSCGKSA-N 1 0 391.265 2.997 20 0 GFADRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)N(C)Cc1c(Cl)cccc1Cl ZINC000298151816 563346078 /nfs/dbraw/zinc/34/60/78/563346078.db2.gz YYRRWNGHRPNDEG-WBMJQRKESA-N 1 0 386.323 2.750 20 0 GFADRO C[NH+](C)CCOc1ccc(CCNC(=O)c2ncccc2Br)cc1 ZINC000280638925 563347408 /nfs/dbraw/zinc/34/74/08/563347408.db2.gz YEOVTVIWIXLOMJ-UHFFFAOYSA-N 1 0 392.297 2.757 20 0 GFADRO C[S@](=O)C1(C[NH2+]Cc2ncc(Br)cc2Br)CCC1 ZINC000280690778 563350002 /nfs/dbraw/zinc/35/00/02/563350002.db2.gz RNLNSOLNVCRAGP-SFHVURJKSA-N 1 0 396.148 2.997 20 0 GFADRO [NH3+]CCCCn1cc(C(=O)N(Cc2cccs2)Cc2cccs2)nn1 ZINC000422943955 563351346 /nfs/dbraw/zinc/35/13/46/563351346.db2.gz LSKMSWWJBVFHCL-UHFFFAOYSA-N 1 0 375.523 2.983 20 0 GFADRO C[C@@H](NC(=O)[C@H]1C[C@H](C)CC[NH2+]1)c1cc2c(cc1Br)OCCO2 ZINC000423052398 563353916 /nfs/dbraw/zinc/35/39/16/563353916.db2.gz QMJIZYXWWGKQDF-JTNHKYCSSA-N 1 0 383.286 2.786 20 0 GFADRO O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cnn(-c2ccc(Br)cc2)c1 ZINC000373929394 563355465 /nfs/dbraw/zinc/35/54/65/563355465.db2.gz OQJSTHOICUDOQS-DOTOQJQBSA-N 1 0 389.297 2.991 20 0 GFADRO C[C@H](C[C@@H]1COCCN1)[NH2+]Cc1ccc(I)c(Cl)c1 ZINC000423117695 563356296 /nfs/dbraw/zinc/35/62/96/563356296.db2.gz WTHHOQWCHVZGDI-ZYHUDNBSSA-N 1 0 394.684 2.801 20 0 GFADRO CC[NH2+]CC1CCN(C(=O)C(=O)N(C)Cc2c(Cl)cccc2Cl)CC1 ZINC000423114238 563356477 /nfs/dbraw/zinc/35/64/77/563356477.db2.gz ZBDZGTQQTKQCLD-UHFFFAOYSA-N 1 0 386.323 2.800 20 0 GFADRO COC(=O)C1CC[NH+](CCCNC(=O)c2ccc(Br)s2)CC1 ZINC000298487223 563356504 /nfs/dbraw/zinc/35/65/04/563356504.db2.gz HFALYZNVAVUNQK-UHFFFAOYSA-N 1 0 389.315 2.516 20 0 GFADRO COc1ccc(Br)cc1C[C@@H](CO)C[NH2+][C@@H](C)c1cnccc1N ZINC000423163416 563357679 /nfs/dbraw/zinc/35/76/79/563357679.db2.gz RDDSFOQHFQRKGR-QWHCGFSZSA-N 1 0 394.313 2.767 20 0 GFADRO Cc1cn2c(n1)CC[C@H](NC(=O)c1cccc(C)c1I)C2 ZINC000373992089 563357790 /nfs/dbraw/zinc/35/77/90/563357790.db2.gz JHRHGYRGMZACJM-LBPRGKRZSA-N 1 0 395.244 2.849 20 0 GFADRO C[C@@H]1CN(C(=O)C(=O)N(Cc2ccc(Cl)c(Cl)c2)C2CC2)CC[C@@H]1[NH3+] ZINC000423171062 563357879 /nfs/dbraw/zinc/35/78/79/563357879.db2.gz NILUMISTBBPBNH-BZNIZROVSA-N 1 0 384.307 2.680 20 0 GFADRO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000423161914 563357950 /nfs/dbraw/zinc/35/79/50/563357950.db2.gz SSCIBKMCYPILKM-MAZHCROVSA-N 1 0 384.307 2.538 20 0 GFADRO O=C(CC[N@@H+]1CCC[C@@H](c2nc(=O)[nH][nH]2)C1)Nc1cc(Cl)ccc1Cl ZINC000298542930 563359087 /nfs/dbraw/zinc/35/90/87/563359087.db2.gz NHWAFPRZTRPIGH-SNVBAGLBSA-N 1 0 384.267 2.613 20 0 GFADRO O=C(CC[N@@H+]1CCC[C@H]1CN1CCOCC1)Nc1ccccc1Br ZINC000298595002 563361132 /nfs/dbraw/zinc/36/11/32/563361132.db2.gz RZHHBGNDFFIRJJ-HNNXBMFYSA-N 1 0 396.329 2.574 20 0 GFADRO Cc1cc(F)c(Br)cc1S(=O)(=O)N1[C@@H]2CC[C@H]1C[C@H]([NH3+])C2 ZINC000374089415 563361231 /nfs/dbraw/zinc/36/12/31/563361231.db2.gz RWNBTBYKUDOHOH-RTCCRHLQSA-N 1 0 377.279 2.539 20 0 GFADRO CC[C@@H]([NH3+])CN[C@@H](c1nccn1CC)c1ccc(I)cc1 ZINC000423480498 563361518 /nfs/dbraw/zinc/36/15/18/563361518.db2.gz WDPMGSKDNIPZGZ-HUUCEWRRSA-N 1 0 398.292 2.924 20 0 GFADRO O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000423553744 563361902 /nfs/dbraw/zinc/36/19/02/563361902.db2.gz DPQFNWYWOAJMLN-UHFFFAOYSA-N 1 0 375.778 2.652 20 0 GFADRO C[NH+]1CCC2(CCCN(C(=O)c3sccc3S(=O)(=O)C(F)F)C2)CC1 ZINC000374098151 563362084 /nfs/dbraw/zinc/36/20/84/563362084.db2.gz CCAVRYIPZMPVGR-UHFFFAOYSA-N 1 0 392.493 2.692 20 0 GFADRO Cc1cc(COc2ccc(C(=O)N3CC[C@H]([NH3+])[C@@H]3C)cc2Br)on1 ZINC000423674556 563362749 /nfs/dbraw/zinc/36/27/49/563362749.db2.gz PFYOXXHJPMLTNH-NHYWBVRUSA-N 1 0 394.269 2.886 20 0 GFADRO CCCN(C(=O)C(=O)N(C)Cc1cccc(Cl)c1Cl)C1CC[NH2+]CC1 ZINC000423700249 563363550 /nfs/dbraw/zinc/36/35/50/563363550.db2.gz SCTVPYSYGUZRCO-UHFFFAOYSA-N 1 0 386.323 2.942 20 0 GFADRO COCCC[NH+]1CCC(NC(=O)N[C@H](C)c2ccc(Br)cn2)CC1 ZINC000281009950 563363605 /nfs/dbraw/zinc/36/36/05/563363605.db2.gz WPGUYUJGMDHTCA-CYBMUJFWSA-N 1 0 399.333 2.705 20 0 GFADRO C[C@H](C[NH3+])N(C)C(=O)C(=O)N1CCC(Cc2cc(Cl)ccc2Cl)CC1 ZINC000423711458 563363673 /nfs/dbraw/zinc/36/36/73/563363673.db2.gz ZNJUXTLARLLRPR-GFCCVEGCSA-N 1 0 386.323 2.580 20 0 GFADRO O=C(c1ccc(I)cc1)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000423935909 563364363 /nfs/dbraw/zinc/36/43/63/563364363.db2.gz BFOQLRHYBZIDHJ-UKRRQHHQSA-N 1 0 384.261 2.895 20 0 GFADRO Cc1cc(C(=O)N(C)[C@@H](C[NH3+])C2CC2)nn1-c1ccc(Br)cc1 ZINC000423941882 563364878 /nfs/dbraw/zinc/36/48/78/563364878.db2.gz DJOYSXMXHLIACI-INIZCTEOSA-N 1 0 377.286 2.753 20 0 GFADRO O=C(NC1CCC(N2CC[NH2+]CC2)CC1)c1cc(Br)ccc1F ZINC000423943764 563365092 /nfs/dbraw/zinc/36/50/92/563365092.db2.gz DLYAPDGMKDSQLJ-UHFFFAOYSA-N 1 0 384.293 2.534 20 0 GFADRO O=C(NC1CCC(N2CC[NH2+]CC2)CC1)c1ccc(Br)cc1F ZINC000423946937 563365190 /nfs/dbraw/zinc/36/51/90/563365190.db2.gz IWEZYRINWNKNFR-UHFFFAOYSA-N 1 0 384.293 2.534 20 0 GFADRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)c2cc(S(C)(=O)=O)ccc2Cl)C1 ZINC000298749811 563365288 /nfs/dbraw/zinc/36/52/88/563365288.db2.gz ODNHNFYXOBNJJW-KBPBESRZSA-N 1 0 386.945 2.841 20 0 GFADRO CC(C)(C)[C@@H](C[NH3+])NC(=O)c1cc(F)c(F)cc1I ZINC000423958486 563365642 /nfs/dbraw/zinc/36/56/42/563365642.db2.gz QPRLYMNCNUJEPU-LLVKDONJSA-N 1 0 382.192 2.673 20 0 GFADRO CN(C(=O)c1ccc(I)cc1Cl)[C@@H](C[NH3+])C1CC1 ZINC000423966301 563365657 /nfs/dbraw/zinc/36/56/57/563365657.db2.gz YVMUZEMINJBKID-LBPRGKRZSA-N 1 0 378.641 2.754 20 0 GFADRO CN(C(=O)c1nn(-c2ccc(F)cc2)cc1Br)[C@H](C[NH3+])C1CC1 ZINC000423965652 563365819 /nfs/dbraw/zinc/36/58/19/563365819.db2.gz YCUPHBDJQXNSIK-CQSZACIVSA-N 1 0 381.249 2.583 20 0 GFADRO C[C@H]1CCN(C(=O)c2[nH]nc(-c3ccccc3)c2Br)C[C@@H]1C[NH3+] ZINC000424006225 563367063 /nfs/dbraw/zinc/36/70/63/563367063.db2.gz GDIHGFPWOMCTLG-AAEUAGOBSA-N 1 0 377.286 2.896 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)CCCSc2ccc(Br)cc2)CCCO1 ZINC000424029542 563367896 /nfs/dbraw/zinc/36/78/96/563367896.db2.gz YEXXTVPQZIYNLR-AWEZNQCLSA-N 1 0 387.343 2.898 20 0 GFADRO C[C@@H]1C[C@H](C)N(C(=O)C[C@@H]2Sc3ccc(Cl)cc3NC2=O)C[C@@H]1C[NH3+] ZINC000424058025 563368589 /nfs/dbraw/zinc/36/85/89/563368589.db2.gz UKQUFHUDJIPOMC-YRORDHRNSA-N 1 0 381.929 2.975 20 0 GFADRO O=C(N1CC[NH+](C2CCCC2)CC1)C1(c2cncc(Br)c2)CC1 ZINC000281176553 563368576 /nfs/dbraw/zinc/36/85/76/563368576.db2.gz IHPSOAUWBFMKGA-UHFFFAOYSA-N 1 0 378.314 2.963 20 0 GFADRO C[NH+](C)CC1(NC(=O)c2nn(-c3ccc(F)cc3)cc2Br)CCC1 ZINC000281191998 563369344 /nfs/dbraw/zinc/36/93/44/563369344.db2.gz ZTVIHRKLBPIRDX-UHFFFAOYSA-N 1 0 395.276 2.988 20 0 GFADRO C[C@H]([NH2+]C[C@@H]1CCn2ncc(C(N)=O)c2C1)c1ccc(F)c(Br)c1 ZINC000281205879 563369804 /nfs/dbraw/zinc/36/98/04/563369804.db2.gz SIDYVVPCMMOSIP-WDEREUQCSA-N 1 0 395.276 2.797 20 0 GFADRO CC[C@@]1(C(=O)N2CCN(C(=O)c3cc4sccc4s3)CC2)CC[NH2+]C1 ZINC000374396127 563371088 /nfs/dbraw/zinc/37/10/88/563371088.db2.gz XEPKZDGXLQOLOU-GOSISDBHSA-N 1 0 377.535 2.637 20 0 GFADRO COc1ncc(C(=O)N2CC[NH2+]C[C@@H]2c2ccccc2)cc1Br ZINC000424197695 563372959 /nfs/dbraw/zinc/37/29/59/563372959.db2.gz OKIZPJDRSZSXGG-OAHLLOKOSA-N 1 0 376.254 2.639 20 0 GFADRO COC(=O)CC1CC([NH2+][C@@H]2CCN(c3ccc(Br)c(C)c3)C2=O)C1 ZINC000424286481 563376146 /nfs/dbraw/zinc/37/61/46/563376146.db2.gz WEWHPLWUKMHNTF-SEEARECTSA-N 1 0 395.297 2.794 20 0 GFADRO C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CCCCS(C)(=O)=O ZINC000424305575 563376197 /nfs/dbraw/zinc/37/61/97/563376197.db2.gz FBTJWUZNEBWSPB-LBPRGKRZSA-N 1 0 391.331 2.581 20 0 GFADRO C[C@H]([NH2+]CCCCS(C)(=O)=O)c1ccccc1I ZINC000424308096 563376262 /nfs/dbraw/zinc/37/62/62/563376262.db2.gz NUBIHBRCCDQMPQ-NSHDSACASA-N 1 0 381.279 2.767 20 0 GFADRO Cc1ccc(S(=O)(=O)N2CC3(C[C@@H]2C)CC[NH2+]CC3)c(Br)c1 ZINC000424392326 563378223 /nfs/dbraw/zinc/37/82/23/563378223.db2.gz PDIHNVQWTQIVAT-ZDUSSCGKSA-N 1 0 387.343 2.910 20 0 GFADRO C[NH+](C)[C@]1(CNC(=O)C(=O)Nc2cc(Cl)c(Cl)cc2F)CCSC1 ZINC000281476492 563378647 /nfs/dbraw/zinc/37/86/47/563378647.db2.gz OVDJZFIPOBCHIB-HNNXBMFYSA-N 1 0 394.299 2.625 20 0 GFADRO [NH3+][C@@H]1CCCC[C@H]1NC(=O)NC[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000424451957 563379404 /nfs/dbraw/zinc/37/94/04/563379404.db2.gz GAYJFZMDDVDTCM-IAOVAPTHSA-N 1 0 395.345 2.845 20 0 GFADRO Cn1ccnc1[C@@](O)(C[NH2+]Cc1ccc(Br)cc1)C(F)(F)F ZINC000299323397 563381571 /nfs/dbraw/zinc/38/15/71/563381571.db2.gz IQNDRAKBTOTGII-ZDUSSCGKSA-N 1 0 378.192 2.722 20 0 GFADRO COc1ncc(C(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)cc1Br ZINC000424591191 563382510 /nfs/dbraw/zinc/38/25/10/563382510.db2.gz HKNIFBVWJYUPGZ-OAHLLOKOSA-N 1 0 392.297 2.755 20 0 GFADRO O=C(Cc1noc2ccc(Br)cc21)N1CC[NH+](CC2CC2)CC1 ZINC000424604390 563383213 /nfs/dbraw/zinc/38/32/13/563383213.db2.gz PMWCXNGHMACZJP-UHFFFAOYSA-N 1 0 378.270 2.687 20 0 GFADRO CCN1CC[C@H]([NH2+]CC(=O)NCC(F)(F)F)[C@H]1c1ccc(Cl)c(F)c1 ZINC000374826196 563383456 /nfs/dbraw/zinc/38/34/56/563383456.db2.gz FHOLVDGLMUAJJD-DZGCQCFKSA-N 1 0 381.801 2.883 20 0 GFADRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)Cc1noc2ccc(Br)cc21 ZINC000424669462 563386180 /nfs/dbraw/zinc/38/61/80/563386180.db2.gz SMDFMSHLXXXGRW-LBPRGKRZSA-N 1 0 380.286 2.933 20 0 GFADRO C[C@@H]([NH2+]C1CCN(Cc2ccsc2)CC1)c1ccc(S(N)(=O)=O)cc1 ZINC000375005072 563387668 /nfs/dbraw/zinc/38/76/68/563387668.db2.gz MPNXOGDCHNLHDY-CQSZACIVSA-N 1 0 379.551 2.711 20 0 GFADRO C[C@H](NC(=O)CN1CC[C@H]2CC[N@H+](C)[C@H]2C1)c1ccc(Br)cc1 ZINC000375025750 563387801 /nfs/dbraw/zinc/38/78/01/563387801.db2.gz ZOIQVPGTTLYZNE-LXZKKBNFSA-N 1 0 380.330 2.652 20 0 GFADRO COc1c(Br)ccc(C)c1C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000424709091 563388394 /nfs/dbraw/zinc/38/83/94/563388394.db2.gz SKDLLVFZHMHBNF-UHFFFAOYSA-N 1 0 397.313 2.703 20 0 GFADRO O=S(=O)(NCc1cnc2n1CCCC2)c1cccc(Br)c1F ZINC000375105211 563390069 /nfs/dbraw/zinc/39/00/69/563390069.db2.gz LDXXPAULWNIRPL-UHFFFAOYSA-N 1 0 388.262 2.600 20 0 GFADRO COc1ncc(C(=O)N2CC[N@@H+]([C@@H]3C[C@H]3C)C[C@@H](C)C2)cc1Br ZINC000424849318 563394586 /nfs/dbraw/zinc/39/45/86/563394586.db2.gz OXBVFTSVFBIZLZ-LALPHHSUSA-N 1 0 382.302 2.655 20 0 GFADRO C[N@@H+]1CC[C@]2(CCN(C(=O)Cc3noc4ccc(Br)cc43)C2)C1 ZINC000424854040 563394850 /nfs/dbraw/zinc/39/48/50/563394850.db2.gz WMEZJFVRGGRPPR-KRWDZBQOSA-N 1 0 378.270 2.687 20 0 GFADRO O=C(NCC1(c2ccc(Br)cc2)CCOCC1)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000375260903 563397228 /nfs/dbraw/zinc/39/72/28/563397228.db2.gz SXQGHVRMBIDZIK-LPHOPBHVSA-N 1 0 393.325 2.613 20 0 GFADRO Cn1ncc(NC2CC[NH+](Cc3ccccc3)CC2)c(Br)c1=O ZINC000301245377 563398066 /nfs/dbraw/zinc/39/80/66/563398066.db2.gz PRJGDCIDZDWMRS-UHFFFAOYSA-N 1 0 377.286 2.619 20 0 GFADRO C[N@@H+]1C[C@@H]2CCCN(C(=O)c3c(O)cnc4c(Br)cccc43)[C@@H]2C1 ZINC000425063805 563402846 /nfs/dbraw/zinc/40/28/46/563402846.db2.gz GPNHEOJHUBXBPX-SMDDNHRTSA-N 1 0 390.281 2.869 20 0 GFADRO CCS(=O)(=O)NCCNc1c(C)c(C)[nH+]c2ccc(Br)cc21 ZINC000301411108 563402912 /nfs/dbraw/zinc/40/29/12/563402912.db2.gz PEPNRERXHCQLJU-UHFFFAOYSA-N 1 0 386.315 2.965 20 0 GFADRO CC(C)(C)[N@@H+]1CCc2nc(NC(=O)C3CN(CC(F)(F)F)C3)sc2C1 ZINC000425044337 563402984 /nfs/dbraw/zinc/40/29/84/563402984.db2.gz ROIKIKWYWUCQQK-UHFFFAOYSA-N 1 0 376.448 2.732 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCC(=O)N[C@H]1c1cncn1C)c1ccc(F)cc1Br ZINC000375514055 563408174 /nfs/dbraw/zinc/40/81/74/563408174.db2.gz VLVJRRDANXWDBF-NCAQKEMTSA-N 1 0 395.276 2.992 20 0 GFADRO COC1CC[NH+](C(C)(C)CNS(=O)(=O)CCc2ccc(Cl)cc2)CC1 ZINC000425214479 563411879 /nfs/dbraw/zinc/41/18/79/563411879.db2.gz FFWCRELYJHVCNQ-UHFFFAOYSA-N 1 0 388.961 2.691 20 0 GFADRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3cc(Br)cc4nc[nH]c43)CC[C@@H]21 ZINC000282508983 563414164 /nfs/dbraw/zinc/41/41/64/563414164.db2.gz OPFLXNWXZBVMSH-NHYWBVRUSA-N 1 0 377.286 2.882 20 0 GFADRO Cc1cnc(NC[C@@]2([NH+](C)C)CCSC2)c(I)c1 ZINC000425239721 563414301 /nfs/dbraw/zinc/41/43/01/563414301.db2.gz XHMHKTQEIMSUEA-ZDUSSCGKSA-N 1 0 377.295 2.844 20 0 GFADRO Cc1nc(C[N-]S(=O)(=O)c2c(F)c(F)cc(F)c2F)c2n1CCCC2 ZINC000375705374 563414532 /nfs/dbraw/zinc/41/45/32/563414532.db2.gz FTRLMARNEYWDIG-UHFFFAOYSA-N 1 0 377.363 2.563 20 0 GFADRO O=S(=O)(c1cccs1)N1CC[C@@H](C[NH2+]Cc2cc(F)c(F)cc2F)C1 ZINC000375746000 563416932 /nfs/dbraw/zinc/41/69/32/563416932.db2.gz SLBOLGJCBMDPKF-NSHDSACASA-N 1 0 390.452 2.966 20 0 GFADRO CN1CC[C@@H]([NH+]2CCC(NC(=O)c3cc(Cl)c(F)cc3Cl)CC2)C1=O ZINC000425307959 563417232 /nfs/dbraw/zinc/41/72/32/563417232.db2.gz KSEABVZRLBZXOY-OAHLLOKOSA-N 1 0 388.270 2.557 20 0 GFADRO Nc1nc(-n2cccn2)cc(NCCc2cc(Br)ccc2F)[nH+]1 ZINC000301975726 563417686 /nfs/dbraw/zinc/41/76/86/563417686.db2.gz LWYXLOAILSHPAL-UHFFFAOYSA-N 1 0 377.221 2.801 20 0 GFADRO C[C@H](CNc1cc(-n2cccn2)nc(N)[nH+]1)Oc1ccccc1Br ZINC000301982691 563417989 /nfs/dbraw/zinc/41/79/89/563417989.db2.gz RATQVWSHSAIXRT-LLVKDONJSA-N 1 0 389.257 2.886 20 0 GFADRO Cc1ccc(S(=O)(=O)N2CCCN(Cc3cnn(C(C)C)c3)CC2)s1 ZINC000375799587 563418433 /nfs/dbraw/zinc/41/84/33/563418433.db2.gz WBKFNWYKNVEZJM-UHFFFAOYSA-N 1 0 382.555 2.731 20 0 GFADRO CS[C@H]1CC[C@@H]1[NH2+]CCNS(=O)(=O)c1cc(C)ccc1Br ZINC000425389179 563419914 /nfs/dbraw/zinc/41/99/14/563419914.db2.gz XKFVCJKASCOMLN-STQMWFEESA-N 1 0 393.372 2.519 20 0 GFADRO NC(=O)[C@H]1CCC[N@H+](CCCNc2cnc3cc(Cl)c(Cl)cc3n2)C1 ZINC000302091628 563420473 /nfs/dbraw/zinc/42/04/73/563420473.db2.gz MLNDYVDJPDIFTA-NSHDSACASA-N 1 0 382.295 2.936 20 0 GFADRO C[C@H]([NH2+]C[C@@H]1CCN(S(=O)(=O)c2cccs2)C1)c1cccc(CO)c1 ZINC000375840549 563420978 /nfs/dbraw/zinc/42/09/78/563420978.db2.gz PSFAQCGRYDFJQC-HOCLYGCPSA-N 1 0 380.535 2.602 20 0 GFADRO COCCC[C@H]([NH2+][C@H](C)C(=O)NCCF)c1ccc(Br)cc1 ZINC000282704951 563422189 /nfs/dbraw/zinc/42/21/89/563422189.db2.gz LBNIRYCWPAEAFW-DOMZBBRYSA-N 1 0 375.282 2.981 20 0 GFADRO C[C@@H]([NH2+]CC(=O)NCc1ccc(S(C)(=O)=O)cc1)c1ccc(Cl)cc1 ZINC000425471212 563423949 /nfs/dbraw/zinc/42/39/49/563423949.db2.gz HRCGAIVWQMGRRB-CYBMUJFWSA-N 1 0 380.897 2.711 20 0 GFADRO CCCn1ccnc1CCC[N@H+](C)Cc1ccc(S(=O)(=O)N(C)C)s1 ZINC000425480889 563424601 /nfs/dbraw/zinc/42/46/01/563424601.db2.gz POXFZHORUUEXBG-UHFFFAOYSA-N 1 0 384.571 2.670 20 0 GFADRO COCC(C)(C)[NH+]1CCN(CCC(=O)Nc2ccc(Br)cc2)CC1 ZINC000425509882 563425832 /nfs/dbraw/zinc/42/58/32/563425832.db2.gz USRMLYKFYBCICH-UHFFFAOYSA-N 1 0 398.345 2.820 20 0 GFADRO CN(Cc1ccc(F)cc1Br)c1cc(-n2cccn2)nc(N)[nH+]1 ZINC000302693906 563428270 /nfs/dbraw/zinc/42/82/70/563428270.db2.gz FZDDGPYTKWYCRT-UHFFFAOYSA-N 1 0 377.221 2.783 20 0 GFADRO O=S(=O)(c1ccc(OC(F)F)c(F)c1)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000376122948 563430905 /nfs/dbraw/zinc/43/09/05/563430905.db2.gz NKGYTBZHQLTFDU-RISCZKNCSA-N 1 0 378.416 2.580 20 0 GFADRO CN(C[C@@H]1CCC[N@H+](C)C1)c1ncc(Cn2cc(Br)cn2)s1 ZINC000302832059 563431404 /nfs/dbraw/zinc/43/14/04/563431404.db2.gz RCMVMNFXNFMMQM-GFCCVEGCSA-N 1 0 384.347 2.928 20 0 GFADRO C[NH+](C)[C@]1(CNC(=O)Nc2cnc3c(Br)cccn23)CCSC1 ZINC000425675792 563431423 /nfs/dbraw/zinc/43/14/23/563431423.db2.gz RWRXRUBKJMIRAN-HNNXBMFYSA-N 1 0 398.330 2.656 20 0 GFADRO COCC(C)(C)[NH+]1CCN(C(=O)Nc2cc(Br)cnc2C)CC1 ZINC000425684567 563431748 /nfs/dbraw/zinc/43/17/48/563431748.db2.gz WXKLBNLGCQEIGX-UHFFFAOYSA-N 1 0 385.306 2.727 20 0 GFADRO C[N@@H+]1CC[C@H]2CCN(C(=O)Nc3ccccc3I)[C@@H]2C1 ZINC000376167852 563432260 /nfs/dbraw/zinc/43/22/60/563432260.db2.gz TUCKZWMFSPYTHD-SMDDNHRTSA-N 1 0 385.249 2.849 20 0 GFADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)Nc1cc(Cl)ccc1OC(F)F ZINC000425692876 563432620 /nfs/dbraw/zinc/43/26/20/563432620.db2.gz QSTYDWOIAIBRGY-LLVKDONJSA-N 1 0 376.835 2.699 20 0 GFADRO CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1([NH3+])C(=O)NCCc1cc(Br)ccc1F ZINC000376252917 563435011 /nfs/dbraw/zinc/43/50/11/563435011.db2.gz JLQLDDMCUQTCCI-JCKWVBRZSA-N 1 0 399.304 2.779 20 0 GFADRO OCCn1ncc2c1CCC[C@H]2[NH2+]Cc1ccc(I)cc1 ZINC000313969526 563438463 /nfs/dbraw/zinc/43/84/63/563438463.db2.gz NLRUKIAZMMKIMF-OAHLLOKOSA-N 1 0 397.260 2.647 20 0 GFADRO Cc1nc(Cl)c(Cl)cc1C(=O)NC[C@]1(N2CCOCC2)CCSC1 ZINC000376343497 563438909 /nfs/dbraw/zinc/43/89/09/563438909.db2.gz IFUYVAVTEFCANU-MRXNPFEDSA-N 1 0 390.336 2.635 20 0 GFADRO CN(Cc1cn2c(n1)CCCC2)S(=O)(=O)Cc1cccc(Br)c1 ZINC000376343613 563438941 /nfs/dbraw/zinc/43/89/41/563438941.db2.gz JHAGAKMUBHVCAA-UHFFFAOYSA-N 1 0 398.326 2.944 20 0 GFADRO Cc1ccc(Br)cc1S(=O)(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000314690545 563439542 /nfs/dbraw/zinc/43/95/42/563439542.db2.gz IMQDQTGKZWZDTR-HIFRSBDPSA-N 1 0 387.343 2.910 20 0 GFADRO CC(C)[C@H]([NH3+])c1cn(CC(=O)Nc2ccc(Br)cc2Cl)nn1 ZINC000317248043 563442227 /nfs/dbraw/zinc/44/22/27/563442227.db2.gz KVGGYBFSBKAKBS-AWEZNQCLSA-N 1 0 386.681 2.989 20 0 GFADRO C[NH+](C)C[C@@](C)(O)CNC(=O)N[C@@H]1c2cc(Br)ccc2CC1(C)C ZINC000426038473 563442890 /nfs/dbraw/zinc/44/28/90/563442890.db2.gz ZDGCOGDVNXEQBF-QAPCUYQASA-N 1 0 398.345 2.684 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+][C@H]2CCc3c2cccc3Br)cc1 ZINC000317928341 563443158 /nfs/dbraw/zinc/44/31/58/563443158.db2.gz QPNSEBAWQFJIDL-INIZCTEOSA-N 1 0 381.295 2.874 20 0 GFADRO C[C@@H]1CN(CC(=O)N2CCc3sccc3[C@@H]2c2cccs2)CC[C@@H]1O ZINC000376499990 563443994 /nfs/dbraw/zinc/44/39/94/563443994.db2.gz IJVWGZDJORZGJW-FRIZHTMISA-N 1 0 376.547 2.986 20 0 GFADRO [NH3+][C@@H]1CN(C(=O)c2cc(Br)ccc2O)C[C@H]1c1ccc(F)cc1 ZINC000376508030 563444615 /nfs/dbraw/zinc/44/46/15/563444615.db2.gz YVWIVKSLQLKQMN-LSDHHAIUSA-N 1 0 379.229 2.861 20 0 GFADRO CCOc1ccc(Br)cc1S(=O)(=O)N1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000319643609 563445414 /nfs/dbraw/zinc/44/54/14/563445414.db2.gz OXGKSCZIGNYUED-YPMHNXCESA-N 1 0 391.331 2.596 20 0 GFADRO O=C(CN1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)Nc1ccc(Br)cc1F ZINC000322111840 563449176 /nfs/dbraw/zinc/44/91/76/563449176.db2.gz OYFBRHPORKAIKS-WFASDCNBSA-N 1 0 384.293 2.991 20 0 GFADRO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1cc(F)cc(Br)c1F ZINC000427076008 563459098 /nfs/dbraw/zinc/45/90/98/563459098.db2.gz ACUFWHBEPOALFD-SECBINFHSA-N 1 0 392.244 2.512 20 0 GFADRO O=S(=O)(c1ccccc1OC(F)(F)F)N1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000327741374 563459381 /nfs/dbraw/zinc/45/93/81/563459381.db2.gz NYGXGPRQKAGVIO-CHWSQXEVSA-N 1 0 378.416 2.880 20 0 GFADRO C[C@@H](CNC(=O)C(=O)NC[C@@H](c1cccs1)[NH+](C)C)Cc1cccs1 ZINC000283942492 563459567 /nfs/dbraw/zinc/45/95/67/563459567.db2.gz FEWFOWGCGSIXTO-HIFRSBDPSA-N 1 0 379.551 2.524 20 0 GFADRO O[C@@H](C[NH2+][C@H]1COc2ccccc2C1)COc1ccc(Br)cc1 ZINC000328219536 563460910 /nfs/dbraw/zinc/46/09/10/563460910.db2.gz LBOYRFLZKQERLX-CVEARBPZSA-N 1 0 378.266 2.782 20 0 GFADRO COC[C@H](C)OC[C@@H](O)C[N@@H+]1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000377080217 563462570 /nfs/dbraw/zinc/46/25/70/563462570.db2.gz FJJMDUXFXSRPIB-AVGNSLFASA-N 1 0 382.448 2.754 20 0 GFADRO O=C(C[C@@H]1CC[NH2+]C1)NC1CCN(Cc2ccc(Br)cc2)CC1 ZINC000427289798 563464540 /nfs/dbraw/zinc/46/45/40/563464540.db2.gz WQBBMZMAKRTDPQ-HNNXBMFYSA-N 1 0 380.330 2.529 20 0 GFADRO Cc1csc(-c2cccc(S(=O)(=O)N3C[C@@H]4CCC[N@H+]4C[C@@H]3C)c2)n1 ZINC000328828378 563466053 /nfs/dbraw/zinc/46/60/53/563466053.db2.gz QQKWVTYCKFXUBW-HOCLYGCPSA-N 1 0 377.535 2.976 20 0 GFADRO C[C@H](O)C[N@@H+]1CCN(Cc2nc(-c3cccc(Br)c3)c[nH]2)[C@@H](C)C1 ZINC000328925076 563468127 /nfs/dbraw/zinc/46/81/27/563468127.db2.gz OACLYZNQVGPXLA-KBPBESRZSA-N 1 0 393.329 2.726 20 0 GFADRO O=C1[C@@H]([NH2+][C@H](c2cncc(Br)c2)C2CC2)CCN1C1CCOCC1 ZINC000328914878 563468462 /nfs/dbraw/zinc/46/84/62/563468462.db2.gz QNONSZVYAAXCGT-IRXDYDNUSA-N 1 0 394.313 2.665 20 0 GFADRO Cc1nn(C)c(N2CCOCC2)c1CN1CCSC[C@@H]1c1cccs1 ZINC000377249983 563468640 /nfs/dbraw/zinc/46/86/40/563468640.db2.gz MFNKLAIUXKDDBM-MRXNPFEDSA-N 1 0 378.567 2.917 20 0 GFADRO CC(C)c1ccc(Cl)c(S(=O)(=O)N2CCC([N@H+](C)CCCO)CC2)c1 ZINC000284276750 563469334 /nfs/dbraw/zinc/46/93/34/563469334.db2.gz LUMHALZFVJRPFY-UHFFFAOYSA-N 1 0 388.961 2.931 20 0 GFADRO CC[NH+]1CCC(N(C(=O)Cc2cc[nH]c(=O)c2Br)C2CC2)CC1 ZINC000377300993 563470115 /nfs/dbraw/zinc/47/01/15/563470115.db2.gz XZFPZMNIAOTIJO-UHFFFAOYSA-N 1 0 382.302 2.568 20 0 GFADRO CN(Cc1ccc(Cl)s1)C(=O)C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000284437245 563474492 /nfs/dbraw/zinc/47/44/92/563474492.db2.gz PAWAIARVTVXTOH-LBPRGKRZSA-N 1 0 385.942 2.841 20 0 GFADRO Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[NH2+][C@H]1CCCS(=O)(=O)C1 ZINC000329269846 563477339 /nfs/dbraw/zinc/47/73/39/563477339.db2.gz INGYPOQLNOTZPG-KRWDZBQOSA-N 1 0 381.929 2.868 20 0 GFADRO C[C@H]1[NH2+]CCC[C@H]1C(=O)NC[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000377551008 563478206 /nfs/dbraw/zinc/47/82/06/563478206.db2.gz UFJNNGHMGJELIH-JKIFEVAISA-N 1 0 380.330 2.780 20 0 GFADRO O=C(NCc1cccc(Br)c1)NC[C@@H]1CCC[C@H]1[NH+]1CCOCC1 ZINC000377553680 563478275 /nfs/dbraw/zinc/47/82/75/563478275.db2.gz QLJNSQUZVDNEQG-DOTOQJQBSA-N 1 0 396.329 2.749 20 0 GFADRO CC(C)N(Cc1cccs1)C(=O)C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000284634950 563483696 /nfs/dbraw/zinc/48/36/96/563483696.db2.gz ZBRJOGFZQDNWIQ-HNNXBMFYSA-N 1 0 379.551 2.966 20 0 GFADRO C[C@H](Nc1c(F)cc(S(N)(=O)=O)cc1Br)C(C)(C)C[NH+](C)C ZINC000428168072 563484603 /nfs/dbraw/zinc/48/46/03/563484603.db2.gz ZQMRLVDRWPRMFQ-VIFPVBQESA-N 1 0 396.326 2.624 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000377739626 563484634 /nfs/dbraw/zinc/48/46/34/563484634.db2.gz SJSNSRPRPYBPNZ-ZIAGYGMSSA-N 1 0 389.297 2.625 20 0 GFADRO Cc1ncc(C[N@@H+]2CC[C@@H](NC(=O)Cc3c(C)noc3Cl)[C@H](C)C2)s1 ZINC000377770692 563486163 /nfs/dbraw/zinc/48/61/63/563486163.db2.gz AOKNEYKYUGWWRB-MEBBXXQBSA-N 1 0 382.917 2.971 20 0 GFADRO O[C@@H]1CCOC[C@@H]1[C@H]1CCC[N@@H+]1Cc1nc2ccc(Br)cc2o1 ZINC000329824454 563488925 /nfs/dbraw/zinc/48/89/25/563488925.db2.gz QPAVHDQFDSGOGB-BPLDGKMQSA-N 1 0 381.270 2.952 20 0 GFADRO CC(C)[NH+]1CCN([C@H]2CCN(C[C@@H](O)c3cccc(Br)c3)C2)CC1 ZINC000377898359 563490026 /nfs/dbraw/zinc/49/00/26/563490026.db2.gz BQWFSBOHTWCFFG-RBUKOAKNSA-N 1 0 396.373 2.583 20 0 GFADRO C[NH2+][C@@H]1CCN(C(=O)CCCCc2ccc(I)cc2)C1 ZINC000428419982 563491436 /nfs/dbraw/zinc/49/14/36/563491436.db2.gz CSHQVPLAZJXYGB-OAHLLOKOSA-N 1 0 386.277 2.824 20 0 GFADRO O=C(Nc1cc(Cl)c(Cl)cc1Cl)C(=O)N[C@@H]1CCc2[nH]cnc2C1 ZINC000377965170 563492209 /nfs/dbraw/zinc/49/22/09/563492209.db2.gz JKQFNFDUSSDHNB-SSDOTTSWSA-N 1 0 387.654 2.982 20 0 GFADRO C[C@H]1CN(Cc2cc(Br)cc(C(F)(F)F)c2)CC[N@@H+]1CCO ZINC000428467922 563492846 /nfs/dbraw/zinc/49/28/46/563492846.db2.gz BWWWJLDDYAQDCM-NSHDSACASA-N 1 0 381.236 2.966 20 0 GFADRO O=C(CCc1ccc(Br)cc1)NC[C@@H]1CCC[C@H]1[NH+]1CCOCC1 ZINC000377999219 563493071 /nfs/dbraw/zinc/49/30/71/563493071.db2.gz IRFDKVXAUKLQKQ-FUHWJXTLSA-N 1 0 395.341 2.999 20 0 GFADRO CC[C@H](C(=O)N[C@@H](C)c1ccc(Br)cc1OCCCO)[NH+](C)C ZINC000428589961 563497025 /nfs/dbraw/zinc/49/70/25/563497025.db2.gz NOUHWRIGPZBLSA-SWLSCSKDSA-N 1 0 387.318 2.728 20 0 GFADRO CCS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)c1 ZINC000378225836 563498827 /nfs/dbraw/zinc/49/88/27/563498827.db2.gz KJCHRSXERSVUDL-QGZVFWFLSA-N 1 0 384.929 2.738 20 0 GFADRO O=C(Cc1ccc(Br)c(F)c1)N1CCC[N@@H+](C2CCOCC2)CC1 ZINC000378242237 563499699 /nfs/dbraw/zinc/49/96/99/563499699.db2.gz BUVFCNZAXYGJDQ-UHFFFAOYSA-N 1 0 399.304 2.844 20 0 GFADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(c2nc3cc(Cl)cc(Cl)c3o2)CC1 ZINC000330325546 563501026 /nfs/dbraw/zinc/50/10/26/563501026.db2.gz JJLHCNMFJJZQRH-CQSZACIVSA-N 1 0 383.279 2.877 20 0 GFADRO CN1CCC([NH+]2CCC(NC(=O)Nc3cc(Br)ccn3)CC2)CC1 ZINC000285083037 563502444 /nfs/dbraw/zinc/50/24/44/563502444.db2.gz LIGJZCXEFHZQTI-UHFFFAOYSA-N 1 0 396.333 2.524 20 0 GFADRO C[C@@H]1CN(C(=O)c2ccc(Br)cc2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000378320640 563502874 /nfs/dbraw/zinc/50/28/74/563502874.db2.gz VMBHKKYYRZNLDV-PBHICJAKSA-N 1 0 380.330 2.547 20 0 GFADRO COC1(C[NH2+]CCC(=O)N(C)Cc2ccccc2Br)CCOCC1 ZINC000428872541 563504123 /nfs/dbraw/zinc/50/41/23/563504123.db2.gz NZMLZFCSVFOZGB-UHFFFAOYSA-N 1 0 399.329 2.583 20 0 GFADRO C[C@H]1CN(C(=O)c2ccccc2Br)CCN1C1CC[NH+](C)CC1 ZINC000378365285 563504630 /nfs/dbraw/zinc/50/46/30/563504630.db2.gz JBPMAHBZERYCTG-AWEZNQCLSA-N 1 0 380.330 2.690 20 0 GFADRO CN(Cc1ncc(Cl)cc1Cl)C1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000378513526 563509792 /nfs/dbraw/zinc/50/97/92/563509792.db2.gz BGZPKXRKEVUYOK-UHFFFAOYSA-N 1 0 385.339 2.907 20 0 GFADRO CC(C)[C@H]([NH3+])CNC(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000429152422 563511095 /nfs/dbraw/zinc/51/10/95/563511095.db2.gz AOZZLRQIDNLEDK-XJKSGUPXSA-N 1 0 386.323 2.945 20 0 GFADRO CC1(C)Cc2c(cccc2Br)[C@H]1[NH2+]CCC(=O)N1CCOCC1 ZINC000429366798 563515708 /nfs/dbraw/zinc/51/57/08/563515708.db2.gz UBNYOIQTZYGIGN-QGZVFWFLSA-N 1 0 381.314 2.911 20 0 GFADRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)c2ccc(I)c(Cl)c2)C1 ZINC000382441849 563516283 /nfs/dbraw/zinc/51/62/83/563516283.db2.gz QEXIEBJQZVZPRJ-PSASIEDQSA-N 1 0 378.641 2.802 20 0 GFADRO CC1(C)Cc2c(cccc2Br)[C@@H]1[NH2+]CCCN1C(=O)CNC1=O ZINC000429387433 563516434 /nfs/dbraw/zinc/51/64/34/563516434.db2.gz YZOXPCWOKWCCOJ-HNNXBMFYSA-N 1 0 380.286 2.604 20 0 GFADRO COC[C@@H]([NH2+]C[C@H](CO)Cc1ccc(Br)cc1)C1CCOCC1 ZINC000429455735 563516821 /nfs/dbraw/zinc/51/68/21/563516821.db2.gz QJGGSGWDRHUUAF-CRAIPNDOSA-N 1 0 386.330 2.631 20 0 GFADRO C[C@H]1C[C@H](C)C[NH+](CCCNS(=O)(=O)c2cccnc2C(F)(F)F)C1 ZINC000330666381 563516854 /nfs/dbraw/zinc/51/68/54/563516854.db2.gz IBWANDUHFMSADO-STQMWFEESA-N 1 0 379.448 2.747 20 0 GFADRO C[C@H]([NH3+])c1ccc(NC(=O)CN(C)C(=O)c2ccc(Br)o2)cc1 ZINC000429573803 563519332 /nfs/dbraw/zinc/51/93/32/563519332.db2.gz CFGFFFUIBUJDJR-JTQLQIEISA-N 1 0 380.242 2.773 20 0 GFADRO COCC(COC)[NH2+]Cc1cc(Br)cc(Br)c1OC ZINC000388493622 563520621 /nfs/dbraw/zinc/52/06/21/563520621.db2.gz IQBBEBGIJXWQBG-UHFFFAOYSA-N 1 0 397.107 2.971 20 0 GFADRO O=C(C[C@@H]1C[NH2+]CCO1)Nc1nc(-c2ccc(Br)cc2)cs1 ZINC000429737840 563521198 /nfs/dbraw/zinc/52/11/98/563521198.db2.gz MXMHZPNVJWZQIL-GFCCVEGCSA-N 1 0 382.283 2.890 20 0 GFADRO C[C@@H]1CCC[N@@H+](C(C)(C)CNS(=O)(=O)c2ccc(Br)o2)C1 ZINC000330800965 563521699 /nfs/dbraw/zinc/52/16/99/563521699.db2.gz CYBBHWMRBYJZCT-LLVKDONJSA-N 1 0 379.320 2.831 20 0 GFADRO O=C1NC(=O)C2(CCC([NH2+]Cc3cc(Cl)ccc3Br)CC2)N1 ZINC000285467882 563522233 /nfs/dbraw/zinc/52/22/33/563522233.db2.gz KIGJUYODFWKTAS-UHFFFAOYSA-N 1 0 386.677 2.713 20 0 GFADRO NC(=O)C1CCC([NH2+]Cc2cc(Br)c3c(c2)OCCCO3)CC1 ZINC000390215759 563522851 /nfs/dbraw/zinc/52/28/51/563522851.db2.gz GFAXRYGUQHYVAC-UHFFFAOYSA-N 1 0 383.286 2.744 20 0 GFADRO C[C@@H]1C[N@H+](CCCNS(=O)(=O)c2ccc(Cl)cc2Cl)CCCO1 ZINC000429886025 563527316 /nfs/dbraw/zinc/52/73/16/563527316.db2.gz NSWHHFOXDPMGJE-GFCCVEGCSA-N 1 0 381.325 2.773 20 0 GFADRO C[C@@H](CC(=O)NCc1cc(Br)c2c(c1)OCCO2)C1CC[NH2+]CC1 ZINC000429886822 563527365 /nfs/dbraw/zinc/52/73/65/563527365.db2.gz GUGJIBONGHXNCQ-LBPRGKRZSA-N 1 0 397.313 2.862 20 0 GFADRO C[C@@H](C[N@H+](C)CC1(O)CCS(=O)(=O)CC1)Oc1ccc(Cl)c(Cl)c1 ZINC000330938064 563528258 /nfs/dbraw/zinc/52/82/58/563528258.db2.gz BBJZRAUIYQFGKD-LBPRGKRZSA-N 1 0 396.336 2.632 20 0 GFADRO CS(=O)(=O)C1(C[NH2+]Cc2cc3c(cc2Br)OCO3)CCCC1 ZINC000285606884 563528566 /nfs/dbraw/zinc/52/85/66/563528566.db2.gz WYWYLAXZFKXJPO-UHFFFAOYSA-N 1 0 390.299 2.625 20 0 GFADRO C[C@@H](CC[NH2+]Cc1c(Br)cncc1Br)[S@](C)=O ZINC000394554310 563530307 /nfs/dbraw/zinc/53/03/07/563530307.db2.gz GFJPOPZXDHBPGC-QPFGOUBPSA-N 1 0 384.137 2.853 20 0 GFADRO CN(C[C@@H]1CCC[N@H+](Cc2ccc(Cl)c3cccnc23)C1)S(C)(=O)=O ZINC000285676142 563531592 /nfs/dbraw/zinc/53/15/92/563531592.db2.gz QRKHVFDGCMSFBL-AWEZNQCLSA-N 1 0 381.929 2.992 20 0 GFADRO COCC[C@@]1(C(=O)N2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)CC[NH2+]C1 ZINC000430033745 563531680 /nfs/dbraw/zinc/53/16/80/563531680.db2.gz RWJKHRWLJOQQEB-AEFFLSMTSA-N 1 0 387.307 2.910 20 0 GFADRO O=C(NCC1(O)CC[NH+](Cc2ccccc2)CC1)c1ccoc1Br ZINC000397540737 563531893 /nfs/dbraw/zinc/53/18/93/563531893.db2.gz AQGCYNWIBRIXIT-UHFFFAOYSA-N 1 0 393.281 2.799 20 0 GFADRO C[C@@H]1C[C@@H](C)N(S(=O)(=O)c2ccc(Br)c(F)c2)C[C@H]1C[NH3+] ZINC000397263482 563532022 /nfs/dbraw/zinc/53/20/22/563532022.db2.gz IGFRSXKAUPSRIY-GMTAPVOTSA-N 1 0 379.295 2.582 20 0 GFADRO C[C@H](NC(=O)C[N@@H+]1C[C@@H]2CC[C@H](O)C[C@@H]2C1)c1ccc(Br)cc1 ZINC000398729057 563532500 /nfs/dbraw/zinc/53/25/00/563532500.db2.gz FZOBXALPCHZLDM-FAYQHZLMSA-N 1 0 381.314 2.719 20 0 GFADRO C[C@@H](C(=O)NC[C@H](CO)Cc1ccccc1Br)[NH+]1CCCCCC1 ZINC000430166155 563537396 /nfs/dbraw/zinc/53/73/96/563537396.db2.gz UFOXYNZINXEDGH-JKSUJKDBSA-N 1 0 397.357 2.981 20 0 GFADRO O=C(CC[N@H+]1CCC[C@H]1c1ccc(Br)c(F)c1)N1CCOCC1 ZINC000430218698 563538582 /nfs/dbraw/zinc/53/85/82/563538582.db2.gz NPCLLIQFCMHWSX-INIZCTEOSA-N 1 0 385.277 2.974 20 0 GFADRO O=C(c1cccc(Br)c1F)N1CC[C@H](OCC[NH+]2CCCC2)C1 ZINC000430309254 563541155 /nfs/dbraw/zinc/54/11/55/563541155.db2.gz VUQMMUXDEACKFG-ZDUSSCGKSA-N 1 0 385.277 2.915 20 0 GFADRO Cc1c(C(=O)N2C[C@H](C)N(C)C[C@H]2C)nnn1-c1cccc(Br)c1 ZINC000408073442 563543638 /nfs/dbraw/zinc/54/36/38/563543638.db2.gz UAXHYYXQWVQPID-NWDGAFQWSA-N 1 0 392.301 2.503 20 0 GFADRO O=C(COC1C[NH2+]C1)N[C@@H](c1cccc(F)c1)c1cccc(Br)c1 ZINC000430467898 563543599 /nfs/dbraw/zinc/54/35/99/563543599.db2.gz ZTEZTFDGGMUNAK-GOSISDBHSA-N 1 0 393.256 2.782 20 0 GFADRO Cc1cc(NC(=O)c2cc(Br)cn2C)n(C2CC[NH+](C)CC2)n1 ZINC000430494820 563543645 /nfs/dbraw/zinc/54/36/45/563543645.db2.gz XLIMLYOCNBBPGP-UHFFFAOYSA-N 1 0 380.290 2.812 20 0 GFADRO C[C@@H](C(=O)Nc1cccc(Br)c1)N1C[C@H](N2CCOCC2)C[C@H]1C ZINC000285973532 563543657 /nfs/dbraw/zinc/54/36/57/563543657.db2.gz NRRIZYOPYPIFJZ-JKIFEVAISA-N 1 0 396.329 2.571 20 0 GFADRO COc1cc(Cl)c(S(=O)(=O)NCC2([NH+](C)C)CCCC2)cc1OC ZINC000331314988 563545264 /nfs/dbraw/zinc/54/52/64/563545264.db2.gz ILSTWZNMOZOFIS-UHFFFAOYSA-N 1 0 376.906 2.510 20 0 GFADRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)Cc2cc[nH]c(=O)c2Br)C1 ZINC000331331833 563545622 /nfs/dbraw/zinc/54/56/22/563545622.db2.gz UNWFUWJONVJDDK-CHWSQXEVSA-N 1 0 398.345 2.965 20 0 GFADRO CC(C)[C@H]([NH3+])CCN(C)CC(=O)Nc1c(F)cc(F)cc1Br ZINC000430582302 563545753 /nfs/dbraw/zinc/54/57/53/563545753.db2.gz WBFUKZGNEWFBOE-CYBMUJFWSA-N 1 0 378.261 2.971 20 0 GFADRO [NH3+]C[C@@H]1CCCN1CC(=O)Nc1ccc(Br)c(C(F)(F)F)c1 ZINC000430594341 563546126 /nfs/dbraw/zinc/54/61/26/563546126.db2.gz VKOJKJLBFYBMEG-JTQLQIEISA-N 1 0 380.208 2.830 20 0 GFADRO C[C@@H]1CCCN(Cc2csc(-c3ccc(S(C)(=O)=O)cc3)n2)[C@H]1C[NH3+] ZINC000430591396 563546162 /nfs/dbraw/zinc/54/61/62/563546162.db2.gz AVTJVXHYABDJSS-DYVFJYSZSA-N 1 0 379.551 2.773 20 0 GFADRO C[C@H](C(=O)NC[C@@H]1CCCC[N@@H+]1CCO)c1ccc(Br)s1 ZINC000331344046 563546341 /nfs/dbraw/zinc/54/63/41/563546341.db2.gz UMKDWYMYKSDVFT-RYUDHWBXSA-N 1 0 375.332 2.577 20 0 GFADRO COc1cc(Cl)c(Br)cc1C(=O)NCCNc1cc[nH+]cc1 ZINC000430664758 563547311 /nfs/dbraw/zinc/54/73/11/563547311.db2.gz PAPIMKCXZZOZAT-UHFFFAOYSA-N 1 0 384.661 2.770 20 0 GFADRO C[C@@H]([NH2+]C[C@H](C)C(F)(F)F)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430740742 563548199 /nfs/dbraw/zinc/54/81/99/563548199.db2.gz CEEOHQZNRXRSRL-JGVFFNPUSA-N 1 0 389.237 2.946 20 0 GFADRO [NH3+]CC[C@@H]1CCCCN1C(=O)c1cnn(-c2cccc(Br)c2)c1 ZINC000286175652 563550858 /nfs/dbraw/zinc/55/08/58/563550858.db2.gz RDWXWXODFIROQU-HNNXBMFYSA-N 1 0 377.286 2.978 20 0 GFADRO [NH3+]CC[C@H]1CCCCN1C(=O)CN1C(=S)N=NC1c1ccc(Cl)cc1 ZINC000286308089 563555488 /nfs/dbraw/zinc/55/54/88/563555488.db2.gz XVWYNOVWADFPHU-CQSZACIVSA-N 1 0 379.917 2.617 20 0 GFADRO Cc1c([C@H]2[C@H]([NH2+]Cc3sccc3Br)CC(=O)N2C)cnn1C ZINC000331699078 563558348 /nfs/dbraw/zinc/55/83/48/563558348.db2.gz ZQOGJVPIIJMKFJ-DOMZBBRYSA-N 1 0 383.315 2.614 20 0 GFADRO C[C@@H](Sc1ccc(Br)cc1)C(=O)NC[C@](C)(O)CC[NH+](C)C ZINC000431376041 563559541 /nfs/dbraw/zinc/55/95/41/563559541.db2.gz DDEFQXXTMCJFED-MLGOLLRUSA-N 1 0 389.359 2.749 20 0 GFADRO CNC(=O)CC[C@H]1CCCC[N@@H+]1Cc1nnc(-c2ccc(Br)o2)o1 ZINC000286430517 563560070 /nfs/dbraw/zinc/56/00/70/563560070.db2.gz KZZCEJNOEVYUDA-LLVKDONJSA-N 1 0 397.273 2.973 20 0 GFADRO COC(=O)[C@]1(C(F)(F)F)CC[N@H+](C[C@H](O)COc2ccc(Cl)cc2)C1 ZINC000286486293 563561843 /nfs/dbraw/zinc/56/18/43/563561843.db2.gz LPBKGWFZZGTVAX-WFASDCNBSA-N 1 0 381.778 2.507 20 0 GFADRO Cc1cc([C@@H](C)[NH2+]C[C@H]2CCN(S(C)(=O)=O)C2)sc1Br ZINC000286645377 563568558 /nfs/dbraw/zinc/56/85/58/563568558.db2.gz TXSZKLPGWKWCJG-GHMZBOCLSA-N 1 0 381.361 2.751 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N[C@H](C)C[NH+]2CCCCC2)c(Br)c1 ZINC000431973496 563571818 /nfs/dbraw/zinc/57/18/18/563571818.db2.gz ZLORJONSPQRSFY-CQSZACIVSA-N 1 0 396.329 2.995 20 0 GFADRO CN(C)c1cc(NC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)ncc1Br ZINC000332039631 563573103 /nfs/dbraw/zinc/57/31/03/563573103.db2.gz KHQORABMMRLRGB-CHWSQXEVSA-N 1 0 382.306 2.658 20 0 GFADRO C[NH+]1CCC(C)(CNC(=O)Cc2cc3c(cc2Br)OCCO3)CC1 ZINC000332059756 563573734 /nfs/dbraw/zinc/57/37/34/563573734.db2.gz XFYIDNKNEKEMCV-UHFFFAOYSA-N 1 0 397.313 2.611 20 0 GFADRO O=C(Nc1ccc(F)c(Br)c1)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000332133598 563578170 /nfs/dbraw/zinc/57/81/70/563578170.db2.gz FKGLDQSERMYWNL-CYBMUJFWSA-N 1 0 398.276 2.614 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)Nc3cccc(I)c3)C[C@@H]21 ZINC000332158989 563580534 /nfs/dbraw/zinc/58/05/34/563580534.db2.gz KENKAXJDADXARJ-DDTOSNHZSA-N 1 0 385.249 2.882 20 0 GFADRO C[C@@H]1C[N@H+](CCCNS(=O)(=O)Cc2c(Cl)cccc2Cl)CCCO1 ZINC000432337560 563581155 /nfs/dbraw/zinc/58/11/55/563581155.db2.gz RWVOHCUIMXETTA-CYBMUJFWSA-N 1 0 395.352 2.914 20 0 GFADRO C[C@@H]1C[N@H+](CCCNS(=O)(=O)c2ccc(Cl)c(F)c2Cl)CCCO1 ZINC000432335748 563581396 /nfs/dbraw/zinc/58/13/96/563581396.db2.gz LBRKTMZEHNVKOZ-LLVKDONJSA-N 1 0 399.315 2.912 20 0 GFADRO C[N@H+](C[C@H](O)COc1ccc(C(F)(F)F)cc1)C[C@](C)(O)C(F)(F)F ZINC000410392141 563589000 /nfs/dbraw/zinc/58/90/00/563589000.db2.gz JTLSNYIXMSIQRH-AAEUAGOBSA-N 1 0 375.309 2.690 20 0 GFADRO CN(Cc1cc(Br)cs1)C(=O)C[NH2+][C@@H]1CCC[C@@]1(C)CO ZINC000332276418 563589614 /nfs/dbraw/zinc/58/96/14/563589614.db2.gz DIQHKJAQMOBGRT-HIFRSBDPSA-N 1 0 375.332 2.610 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1Br ZINC000332274140 563589651 /nfs/dbraw/zinc/58/96/51/563589651.db2.gz BAPOFUGBYCRFLN-GZBFAFLISA-N 1 0 394.313 2.590 20 0 GFADRO O=C(NC1CC1)[C@@H]([NH2+]CCCn1cc(Br)cn1)c1ccc(F)cc1 ZINC000287161843 563590101 /nfs/dbraw/zinc/59/01/01/563590101.db2.gz IXXGFRXGINKCIA-INIZCTEOSA-N 1 0 395.276 2.784 20 0 GFADRO CN(C)S(=O)(=O)N1CCCC[C@@H]1C[NH2+][C@@H]1CCSc2c(F)cccc21 ZINC000332295835 563591084 /nfs/dbraw/zinc/59/10/84/563591084.db2.gz DEXRERJUWFSHPZ-CZUORRHYSA-N 1 0 387.546 2.613 20 0 GFADRO Cc1ccc(NC(=O)C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)cc1Br ZINC000332316329 563592300 /nfs/dbraw/zinc/59/23/00/563592300.db2.gz QLVQWWBIYKPLIX-HNNXBMFYSA-N 1 0 394.313 2.783 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)NCc3cc(F)c(F)cc3Br)C[C@H]21 ZINC000332345870 563594161 /nfs/dbraw/zinc/59/41/61/563594161.db2.gz TUATYRGINILSHT-XDMRBOTDSA-N 1 0 388.256 2.996 20 0 GFADRO O=C(Nc1c(F)cccc1Br)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000332373269 563595514 /nfs/dbraw/zinc/59/55/14/563595514.db2.gz VNBRHNKLBMKXPG-LBPRGKRZSA-N 1 0 398.276 2.614 20 0 GFADRO COC(=O)c1occc1C[NH2+]C[C@@H](CO)Cc1ccccc1Br ZINC000432911626 563596566 /nfs/dbraw/zinc/59/65/66/563596566.db2.gz SNMATHYLHALFMM-LBPRGKRZSA-N 1 0 382.254 2.770 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)C(=O)N2CCc3c(Cl)cc(Cl)cc3[C@@H]2C)CC[NH2+]1 ZINC000332440630 563598729 /nfs/dbraw/zinc/59/87/29/563598729.db2.gz BUNPLQZPSMDVJQ-NTZNESFSSA-N 1 0 384.307 2.696 20 0 GFADRO O=C(Nc1cccc(I)c1)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000332541463 563603130 /nfs/dbraw/zinc/60/31/30/563603130.db2.gz DCSKKVKHCANCNU-MISXGVKJSA-N 1 0 385.249 2.801 20 0 GFADRO CCOC(=O)[C@H](Cc1cc(Cl)cc(Cl)c1)NC(=O)[C@H](C[NH3+])C(C)C ZINC000433147833 563603906 /nfs/dbraw/zinc/60/39/06/563603906.db2.gz DUHDMUGVAOXZBU-CABCVRRESA-N 1 0 375.296 2.815 20 0 GFADRO CC(C)[C@@H](C[NH3+])C(=O)N[C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000433128767 563604251 /nfs/dbraw/zinc/60/42/51/563604251.db2.gz BOPBSSPETLDGTM-NWDGAFQWSA-N 1 0 378.826 2.680 20 0 GFADRO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N(C)CC(=O)Nc1ccccc1Br ZINC000332562827 563604857 /nfs/dbraw/zinc/60/48/57/563604857.db2.gz QSGUBNCGUWHVJH-BETUJISGSA-N 1 0 382.302 2.719 20 0 GFADRO COCC[N@H+](CC(=O)NCCOc1ccc(Cl)cc1)[C@@H]1CCCSC1 ZINC000433202853 563606837 /nfs/dbraw/zinc/60/68/37/563606837.db2.gz UOZJTKDFZSNFBG-MRXNPFEDSA-N 1 0 386.945 2.679 20 0 GFADRO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1ccc(Br)c(F)c1 ZINC000332613345 563607498 /nfs/dbraw/zinc/60/74/98/563607498.db2.gz RQHKHFJCRZJHHW-CHWSQXEVSA-N 1 0 398.276 2.612 20 0 GFADRO C[C@H]([NH3+])C1CCN(C(=O)N[C@@H]2CCN(c3ccccc3Br)C2)CC1 ZINC000332636344 563608685 /nfs/dbraw/zinc/60/86/85/563608685.db2.gz FKZMBVHVEDSMNU-DZGCQCFKSA-N 1 0 395.345 2.797 20 0 GFADRO CN(Cc1ccccc1Br)C(=O)C[N@@H+]1CC[C@H](O)C12CCCC2 ZINC000433322462 563609036 /nfs/dbraw/zinc/60/90/36/563609036.db2.gz XQBGXIYBIAJRAP-INIZCTEOSA-N 1 0 381.314 2.787 20 0 GFADRO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N[C@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000411193067 563609141 /nfs/dbraw/zinc/60/91/41/563609141.db2.gz NJDBKJRSMDXWQT-GXFFZTMASA-N 1 0 379.810 2.516 20 0 GFADRO COCCCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](Cc2ccc(Br)cc2)C1 ZINC000433317154 563609300 /nfs/dbraw/zinc/60/93/00/563609300.db2.gz KLAZSTFUEMYGOY-GDBMZVCRSA-N 1 0 383.330 2.855 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCO[C@H](C(F)(F)F)C1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000287606723 563609995 /nfs/dbraw/zinc/60/99/95/563609995.db2.gz IXBVNDOYFYSOKO-LNSITVRQSA-N 1 0 380.432 2.697 20 0 GFADRO O=C(CC[N@H+]1CCSC[C@H]1CO)N[C@@H](c1cccs1)c1ccccc1 ZINC000411421326 563618506 /nfs/dbraw/zinc/61/85/06/563618506.db2.gz INLJCLNDJFAROT-VQIMIIECSA-N 1 0 376.547 2.754 20 0 GFADRO [NH3+][C@@H]1CCCO[C@H]1C1CCN(Cc2cc3c(cc2Br)OCO3)CC1 ZINC000333078309 563619525 /nfs/dbraw/zinc/61/95/25/563619525.db2.gz AGRLGWGQQKJSNG-QAPCUYQASA-N 1 0 397.313 2.896 20 0 GFADRO Cn1cc(NC(=O)N2CCCC[C@@H]2[C@@H]2CCC[NH2+]C2)cc(Br)c1=O ZINC000333100764 563620595 /nfs/dbraw/zinc/62/05/95/563620595.db2.gz CGGGQIPDDJLJBV-IUODEOHRSA-N 1 0 397.317 2.534 20 0 GFADRO Cc1ncc(Br)cc1NC(=O)N1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000333100286 563620621 /nfs/dbraw/zinc/62/06/21/563620621.db2.gz AQWDHXBKPPOEQN-ZBFHGGJFSA-N 1 0 397.317 2.903 20 0 GFADRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+]C[C@@H](O)Cc2cccc(Cl)c2)cc1 ZINC000287885164 563621247 /nfs/dbraw/zinc/62/12/47/563621247.db2.gz SZJYEKCSSJYFBU-GUYCJALGSA-N 1 0 382.913 2.502 20 0 GFADRO C[C@H]1CN(C(=O)c2n[nH]c3ccc(Br)cc32)CC[N@@H+](C2CC2)C1 ZINC000333126164 563621372 /nfs/dbraw/zinc/62/13/72/563621372.db2.gz WBHZDZYIGXLTMQ-LLVKDONJSA-N 1 0 377.286 2.882 20 0 GFADRO CSc1cc(C)ccc1NC(=O)C(=O)NCC1(SC)CC[NH+](C)CC1 ZINC000411543210 563622922 /nfs/dbraw/zinc/62/29/22/563622922.db2.gz KRSJYLAKTONFNP-UHFFFAOYSA-N 1 0 381.567 2.599 20 0 GFADRO C[NH+](C)[C@@H]1CCCN(c2c(Br)cccc2S(C)(=O)=O)CC1 ZINC000287924838 563623052 /nfs/dbraw/zinc/62/30/52/563623052.db2.gz WVXNKIWOZDQTGZ-GFCCVEGCSA-N 1 0 375.332 2.773 20 0 GFADRO COC(=O)C[C@@]1([NH2+]CCC(=O)Nc2cc(Cl)ccc2Cl)CCOC1 ZINC000411545039 563623229 /nfs/dbraw/zinc/62/32/29/563623229.db2.gz PEUPEUFSRVHHBQ-INIZCTEOSA-N 1 0 375.252 2.634 20 0 GFADRO O=C(Nc1cnn(-c2ccccc2Br)c1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000333189822 563623371 /nfs/dbraw/zinc/62/33/71/563623371.db2.gz USEOBYCEQJAKRO-IUODEOHRSA-N 1 0 390.285 2.851 20 0 GFADRO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(C(=O)c2cc(Br)ccc2O)CC1 ZINC000333262557 563626125 /nfs/dbraw/zinc/62/61/25/563626125.db2.gz JBQLYOGHIVNFKY-GDBMZVCRSA-N 1 0 383.286 2.513 20 0 GFADRO CSc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@H]([C@H](O)C(F)(F)F)C2)cc1 ZINC000411634890 563627017 /nfs/dbraw/zinc/62/70/17/563627017.db2.gz MGYIHTQOZWOADF-ZENOOKHLSA-N 1 0 379.444 2.783 20 0 GFADRO CC[NH+]1CCN(CCC(=O)N(C)Cc2ccc(Br)cc2C)CC1 ZINC000434341938 563629480 /nfs/dbraw/zinc/62/94/80/563629480.db2.gz OPVPIYQTEFPXDY-UHFFFAOYSA-N 1 0 382.346 2.744 20 0 GFADRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)NCC3(c4cccc(Br)c4)CC3)C[C@@H]12 ZINC000333396945 563630628 /nfs/dbraw/zinc/63/06/28/563630628.db2.gz PMNBIKOYOIMZJH-APHBMKBZSA-N 1 0 378.314 2.859 20 0 GFADRO COC(=O)c1cc(C[N@@H+]2CCC[C@H](CNC(=O)CC(F)(F)F)C2)cs1 ZINC000411716622 563631019 /nfs/dbraw/zinc/63/10/19/563631019.db2.gz FRPSBVUGVKNAMV-LLVKDONJSA-N 1 0 378.416 2.815 20 0 GFADRO O=C(N[C@@H]1C[C@H]1c1ccccc1Br)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000333531986 563635373 /nfs/dbraw/zinc/63/53/73/563635373.db2.gz IBMTZUJRZBVZLD-UOZBHZCFSA-N 1 0 378.314 2.992 20 0 GFADRO C[C@@H]1Cc2cc(S(=O)(=O)N3CC4(C[C@@H]3C)CC[NH2+]CC4)cc(Cl)c2O1 ZINC000333568263 563636159 /nfs/dbraw/zinc/63/61/59/563636159.db2.gz MBHKVPBOKIWDRE-QWHCGFSZSA-N 1 0 384.929 2.816 20 0 GFADRO O=C(Nc1cc(Cl)cc(Cl)c1)[C@H]1CCCN1C(=O)N[C@H]1CCC[NH2+]C1 ZINC000333651097 563638146 /nfs/dbraw/zinc/63/81/46/563638146.db2.gz JUNBSDFPOGCPJF-DZGCQCFKSA-N 1 0 385.295 2.858 20 0 GFADRO COC(=O)[C@@H]1CN(C)CC[N@H+](CC/C=C\c2ccc(Br)cc2)C1 ZINC000411902812 563640300 /nfs/dbraw/zinc/64/03/00/563640300.db2.gz IVTBVQMWYOKFMX-OICCZTGUSA-N 1 0 381.314 2.889 20 0 GFADRO CCOc1cc(C[NH2+]CC(C)(C)OCCO)cc(Br)c1OC ZINC000288377799 563640361 /nfs/dbraw/zinc/64/03/61/563640361.db2.gz FREAIFXJVSXUIR-UHFFFAOYSA-N 1 0 376.291 2.734 20 0 GFADRO C[C@@H]1CN(C(=O)Nc2cc(N(C)C)c(Br)cn2)C[C@H](C2CC2)O1 ZINC000333735310 563640729 /nfs/dbraw/zinc/64/07/29/563640729.db2.gz XETVSXJIDYXQRP-QMTHXVAHSA-N 1 0 383.290 2.941 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)c1cc(I)c(F)cc1F ZINC000435009776 563641418 /nfs/dbraw/zinc/64/14/18/563641418.db2.gz UIMLJQACYIDDJX-MRVPVSSYSA-N 1 0 392.187 2.536 20 0 GFADRO C[C@H]1C[C@H](NC(=O)NC2CCC([NH+](C)C)CC2)c2ccsc2S1(=O)=O ZINC000333776488 563641747 /nfs/dbraw/zinc/64/17/47/563641747.db2.gz SPXGGLBPHMBLPW-CLTVBZQCSA-N 1 0 385.555 2.527 20 0 GFADRO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(C(=O)c2ccc(F)c(Br)c2)CC1 ZINC000333774951 563641940 /nfs/dbraw/zinc/64/19/40/563641940.db2.gz CQLFTMLLAHEQHT-HZPDHXFCSA-N 1 0 385.277 2.947 20 0 GFADRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000333785358 563641955 /nfs/dbraw/zinc/64/19/55/563641955.db2.gz LPVOFGWNCHTGMT-NZVBXONLSA-N 1 0 385.295 2.538 20 0 GFADRO O=C(c1cc(Br)c2c(c1)OCCO2)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000333811381 563642290 /nfs/dbraw/zinc/64/22/90/563642290.db2.gz JJGWKBWAZVUOIL-IUODEOHRSA-N 1 0 395.297 2.825 20 0 GFADRO CNc1cc(I)ccc1C(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000411990545 563643224 /nfs/dbraw/zinc/64/32/24/563643224.db2.gz XUJVHDNGFKGZMT-SNVBAGLBSA-N 1 0 387.265 2.545 20 0 GFADRO OC[C@H]([NH2+]Cc1ncc(-c2ccccc2Br)o1)[C@H]1CCCOC1 ZINC000412000822 563643806 /nfs/dbraw/zinc/64/38/06/563643806.db2.gz ZLOIRNJVWNSXRI-WFASDCNBSA-N 1 0 381.270 2.981 20 0 GFADRO C[C@@H](CNC(=O)Nc1cc(Br)cn(C)c1=O)[N@@H+]1CCCC[C@@H]1C ZINC000435175832 563643936 /nfs/dbraw/zinc/64/39/36/563643936.db2.gz FTMHECDPZXZXFA-RYUDHWBXSA-N 1 0 385.306 2.532 20 0 GFADRO C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H](CCO)c1ccc(Cl)c(Cl)c1 ZINC000288471407 563644926 /nfs/dbraw/zinc/64/49/26/563644926.db2.gz QMHQOSQBEBVIAK-WBMJQRKESA-N 1 0 375.296 2.501 20 0 GFADRO C[C@@H]1CC(C)(C)C[N@@H+]1CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000412037382 563645096 /nfs/dbraw/zinc/64/50/96/563645096.db2.gz HPVQEGDJDGKNEU-GFCCVEGCSA-N 1 0 387.933 2.649 20 0 GFADRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)N[C@H]3CCOc4ccc(Br)cc43)C[C@H]12 ZINC000333947853 563646592 /nfs/dbraw/zinc/64/65/92/563646592.db2.gz VUUIPZVTUXNLAE-KAOXEZKKSA-N 1 0 380.286 2.651 20 0 GFADRO COC(=O)[C@]1(C)CCC[N@H+](CC(=O)N[C@H](C)c2ccc(Br)cc2)C1 ZINC000412095130 563648603 /nfs/dbraw/zinc/64/86/03/563648603.db2.gz FKHQKZXOOIRNSO-FZKQIMNGSA-N 1 0 397.313 2.901 20 0 GFADRO C[C@@H](CN1CCOCC1)N(C)C(=O)c1nc2ccccc2cc1Br ZINC000288585714 563648949 /nfs/dbraw/zinc/64/89/49/563648949.db2.gz CSEAWZMKMSAZJP-ZDUSSCGKSA-N 1 0 392.297 2.790 20 0 GFADRO Brc1cnc(CN(C2CC2)[C@H]2CC[NH2+]C2)c(Br)c1 ZINC000435381915 563649010 /nfs/dbraw/zinc/64/90/10/563649010.db2.gz YQGINFSDFYKVBS-NSHDSACASA-N 1 0 375.108 2.933 20 0 GFADRO CC(=O)Nc1cc(F)c(S(=O)(=O)N[C@H]2CCC[N@@H+](C(C)C)C2)cc1Cl ZINC000435441496 563651325 /nfs/dbraw/zinc/65/13/25/563651325.db2.gz GFUHEBZMABUWSB-LBPRGKRZSA-N 1 0 391.896 2.589 20 0 GFADRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)N(C)Cc2ccc(Cl)s2)C1 ZINC000288672408 563652759 /nfs/dbraw/zinc/65/27/59/563652759.db2.gz CFEZYGUYGLMUJY-AWEZNQCLSA-N 1 0 385.961 2.844 20 0 GFADRO C[C@@]1(CNC(=O)C2CC[NH+]([C@H]3CCSC3)CC2)OCCc2sccc21 ZINC000412369807 563655545 /nfs/dbraw/zinc/65/55/45/563655545.db2.gz XLUSTXHRSCWVRJ-KXBFYZLASA-N 1 0 380.579 2.870 20 0 GFADRO C[C@H]1C[C@@H](CO)CC[N@@H+]1C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000288754504 563655909 /nfs/dbraw/zinc/65/59/09/563655909.db2.gz GRNKJEIKVOVIEI-SGMGOOAPSA-N 1 0 392.721 2.935 20 0 GFADRO COC[C@H]([NH2+]C[C@@H](O)c1ccc(S(C)(=O)=O)cc1)c1cccc(Cl)c1 ZINC000288771312 563656379 /nfs/dbraw/zinc/65/63/79/563656379.db2.gz JPPVWSAZYYXOPO-ZWKOTPCHSA-N 1 0 383.897 2.754 20 0 GFADRO COc1ccc(C[NH2+]CCN(C)S(=O)(=O)c2ccc(F)cc2)c(Cl)c1 ZINC000435728868 563657851 /nfs/dbraw/zinc/65/78/51/563657851.db2.gz RBVIZFDVABLQDR-UHFFFAOYSA-N 1 0 386.876 2.898 20 0 GFADRO O=C(N1CCO[C@H](c2cccc(Br)c2)C1)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000435893698 563660374 /nfs/dbraw/zinc/66/03/74/563660374.db2.gz NZHGLHYVIBYFGL-UWWQBHOKSA-N 1 0 379.298 2.739 20 0 GFADRO O=C1[C@H]2CSCCN2C(=O)N1C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000349198199 563661029 /nfs/dbraw/zinc/66/10/29/563661029.db2.gz CUSWTBTXDNHRLT-MRXNPFEDSA-N 1 0 379.913 2.684 20 0 GFADRO CNC(=O)[C@@H](C)C[N@H+](C)Cc1ccc(I)c(Cl)c1 ZINC000436153272 563665784 /nfs/dbraw/zinc/66/57/84/563665784.db2.gz OIIUFPYNHPBZEA-VIFPVBQESA-N 1 0 380.657 2.759 20 0 GFADRO CC[N@@H+]1CC[C@@H](NC(=O)c2cc(I)ccc2Cl)C1 ZINC000412847521 563670884 /nfs/dbraw/zinc/67/08/84/563670884.db2.gz RSORDJQUYFPMNJ-SNVBAGLBSA-N 1 0 378.641 2.769 20 0 GFADRO CCN1CCN(C(=O)[C@H](C)SCc2nnc(-c3ccccc3)s2)CC1 ZINC000289400857 563673630 /nfs/dbraw/zinc/67/36/30/563673630.db2.gz NGASLJHTARCKEF-AWEZNQCLSA-N 1 0 376.551 2.991 20 0 GFADRO CN1CC[NH+](CC2CCN(Cc3cc(O)ccc3Br)CC2)CC1 ZINC000289460522 563675225 /nfs/dbraw/zinc/67/52/25/563675225.db2.gz OKIRYICENWSCGH-UHFFFAOYSA-N 1 0 382.346 2.614 20 0 GFADRO O=C(c1cc(I)ccc1O)N1CCC(c2ncc[nH]2)CC1 ZINC000436712745 563677980 /nfs/dbraw/zinc/67/79/80/563677980.db2.gz BZOVWXVWHXHOLU-UHFFFAOYSA-N 1 0 397.216 2.740 20 0 GFADRO CN(C)C(=O)[C@@H]1CCC[C@H]([NH2+]Cc2cn3ccc(Br)cc3n2)C1 ZINC000289565700 563678852 /nfs/dbraw/zinc/67/88/52/563678852.db2.gz RKWYLYGOVKSBHG-OCCSQVGLSA-N 1 0 379.302 2.833 20 0 GFADRO C[NH+](C)C1CCN(C(=O)Cc2noc(-c3ccc(Br)s3)n2)CC1 ZINC000350956884 563679396 /nfs/dbraw/zinc/67/93/96/563679396.db2.gz MAEWUORSXHIASO-UHFFFAOYSA-N 1 0 399.314 2.656 20 0 GFADRO CC1(C)C[C@@H]([NH2+]CCCn2cc(CO)nn2)c2cc(Br)ccc21 ZINC000289685825 563682861 /nfs/dbraw/zinc/68/28/61/563682861.db2.gz HYQDRTQBEHRERH-MRXNPFEDSA-N 1 0 379.302 2.935 20 0 GFADRO Cc1nnc(CC[NH2+]Cc2ccc(Br)cc2N2CCOCC2)s1 ZINC000289723035 563684076 /nfs/dbraw/zinc/68/40/76/563684076.db2.gz FTBPMHGQMGSALC-UHFFFAOYSA-N 1 0 397.342 2.778 20 0 GFADRO C[C@]1(C[C@@H]2CCC[N@@H+]2Cc2cc(F)ccc2Br)NC(=O)NC1=O ZINC000289716026 563684218 /nfs/dbraw/zinc/68/42/18/563684218.db2.gz PCUMIXYUYPHMBO-BLLLJJGKSA-N 1 0 384.249 2.541 20 0 GFADRO Cc1nnc(CC[NH2+][C@@H](C)c2cc(S(N)(=O)=O)c(Cl)cc2Cl)s1 ZINC000289710296 563684396 /nfs/dbraw/zinc/68/43/96/563684396.db2.gz JAQGTQLLURJEQN-ZETCQYMHSA-N 1 0 395.337 2.694 20 0 GFADRO COC(=O)[C@@H]1CN(C(=O)N[C@H](C)c2cc(Cl)ccc2Cl)CC[N@H+](C)C1 ZINC000413192314 563684922 /nfs/dbraw/zinc/68/49/22/563684922.db2.gz FHNDBBLKCHKHEW-NEPJUHHUSA-N 1 0 388.295 2.801 20 0 GFADRO COC(=O)[C@@H]1CN(C(=O)N[C@@H](C)c2cc(Cl)ccc2Cl)CC[N@H+](C)C1 ZINC000413192320 563685110 /nfs/dbraw/zinc/68/51/10/563685110.db2.gz FHNDBBLKCHKHEW-RYUDHWBXSA-N 1 0 388.295 2.801 20 0 GFADRO CS[C@@H]1CN(C(=O)c2cc(Br)ccc2O)C[C@@H]1[NH+]1CCCC1 ZINC000436916461 563685251 /nfs/dbraw/zinc/68/52/51/563685251.db2.gz WMJZEUIJVWHUIP-DZGCQCFKSA-N 1 0 385.327 2.807 20 0 GFADRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)c2cc(I)ccc2O)C1 ZINC000436937850 563685530 /nfs/dbraw/zinc/68/55/30/563685530.db2.gz JQVVBXBTNHVAAO-RYUDHWBXSA-N 1 0 388.249 2.599 20 0 GFADRO CO[C@@H](C(=O)Nc1cc(Br)ccc1N1CC[NH+](C)CC1)C1CC1 ZINC000413254131 563687466 /nfs/dbraw/zinc/68/74/66/563687466.db2.gz BPTLIKBPDLSBQC-MRXNPFEDSA-N 1 0 382.302 2.564 20 0 GFADRO CC[N@@H+]1C[C@@H](C)N(C(=O)c2cc(I)ccc2O)C[C@H]1C ZINC000436992971 563687739 /nfs/dbraw/zinc/68/77/39/563687739.db2.gz ZLBKLHUWARHNAG-GHMZBOCLSA-N 1 0 388.249 2.552 20 0 GFADRO CC(C)[N@H+](C)C[C@@H](C)NC(=O)Nc1ccc(NS(C)(=O)=O)c(Cl)c1 ZINC000289843350 563688799 /nfs/dbraw/zinc/68/87/99/563688799.db2.gz FHQLNSAVVWFQQZ-LLVKDONJSA-N 1 0 376.910 2.562 20 0 GFADRO O=S1(=O)CC[C@@H](C[NH2+]Cc2cc(Br)cc(Br)c2)C1 ZINC000289886251 563690178 /nfs/dbraw/zinc/69/01/78/563690178.db2.gz XLSYSYHPBSDGGI-VIFPVBQESA-N 1 0 397.132 2.736 20 0 GFADRO O=C(c1ccco1)N1CCC([NH2+][C@@H](CO)c2cccc(Br)c2)CC1 ZINC000360056798 563691494 /nfs/dbraw/zinc/69/14/94/563691494.db2.gz HVIMNUPKTYKLDZ-INIZCTEOSA-N 1 0 393.281 2.970 20 0 GFADRO C[C@H]([NH2+]C[C@H](O)COc1ccc2c(c1)OCO2)c1ccc(Br)nc1 ZINC000289946975 563692131 /nfs/dbraw/zinc/69/21/31/563692131.db2.gz WKTXLSNBSGBIKK-AAEUAGOBSA-N 1 0 395.253 2.663 20 0 GFADRO Cc1c(Br)cccc1NC(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000360535092 563692631 /nfs/dbraw/zinc/69/26/31/563692631.db2.gz AAYNMVORHJFWHF-JKSUJKDBSA-N 1 0 382.302 2.820 20 0 GFADRO Cc1cc(Br)ccc1CC(=O)NC[C@H]1CCC[C@@H]1[NH+]1CCOCC1 ZINC000360674136 563693660 /nfs/dbraw/zinc/69/36/60/563693660.db2.gz SLFBHJJPOXUNOJ-AEFFLSMTSA-N 1 0 395.341 2.917 20 0 GFADRO Clc1ccc(OCc2nc(SCC[N@H+]3C[C@H]4CC[C@@H](C3)O4)n[nH]2)cc1 ZINC000360680960 563694478 /nfs/dbraw/zinc/69/44/78/563694478.db2.gz NTZKADIYLIPTLM-GASCZTMLSA-N 1 0 380.901 2.992 20 0 GFADRO CC(C)[N@H+](C)C[C@@H](C)NC(=O)Nc1ccncc1I ZINC000290021524 563695136 /nfs/dbraw/zinc/69/51/36/563695136.db2.gz FJISCASZIUXTHD-SNVBAGLBSA-N 1 0 376.242 2.536 20 0 GFADRO COC(=O)[C@@H]1CN(c2ccnc3c(Br)cccc23)CC[N@H+](C)C1 ZINC000413510679 563695641 /nfs/dbraw/zinc/69/56/41/563695641.db2.gz ZDFHLIQZKDOCFA-LBPRGKRZSA-N 1 0 378.270 2.538 20 0 GFADRO C[NH+](C)C[C@@H]1CN(C(=O)c2cccc(Br)n2)c2ccccc2O1 ZINC000361089907 563696790 /nfs/dbraw/zinc/69/67/90/563696790.db2.gz WKIWDCYUOIDLMR-GFCCVEGCSA-N 1 0 376.254 2.814 20 0 GFADRO CCN(C[C@@H]1CCN(C(=O)[C@]2([NH+](C)C)CCCSC2)C1)CC(F)(F)F ZINC000362709027 563708715 /nfs/dbraw/zinc/70/87/15/563708715.db2.gz YFEPVSIAWMCQNF-HOCLYGCPSA-N 1 0 381.508 2.547 20 0 GFADRO COC(=O)[C@H]1CN(C(=O)[C@H]2C[C@H]2c2ccc(Cl)cc2Cl)CC[N@H+](C)C1 ZINC000413922200 563711292 /nfs/dbraw/zinc/71/12/92/563711292.db2.gz PGALMBKPTBHBLW-UGFHNGPFSA-N 1 0 385.291 2.660 20 0 GFADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]Cc1nccn1CC(F)(F)F ZINC000414084436 563718139 /nfs/dbraw/zinc/71/81/39/563718139.db2.gz XGKILJXUINRWFT-SNVBAGLBSA-N 1 0 393.207 2.548 20 0 GFADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)/C=C/c3cc(Br)cs3)CC2)C1 ZINC000363279182 563718165 /nfs/dbraw/zinc/71/81/65/563718165.db2.gz WTMHYBYVOMPERD-RGDDUWESSA-N 1 0 398.370 2.762 20 0 GFADRO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]CCOc1ncccc1Cl ZINC000414097812 563718691 /nfs/dbraw/zinc/71/86/91/563718691.db2.gz RZTHGYIEYANDGZ-NSHDSACASA-N 1 0 386.677 2.716 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)N2CCC(n3cc(Br)cn3)CC2)C1 ZINC000363311074 563718923 /nfs/dbraw/zinc/71/89/23/563718923.db2.gz QKNXEOHLEGDETB-GOEBONIOSA-N 1 0 398.349 2.865 20 0 GFADRO CN1CCC([N@@H+]2CC[C@@H](NC(=O)COc3ccc(Cl)cc3Cl)C2)CC1 ZINC000363339560 563719537 /nfs/dbraw/zinc/71/95/37/563719537.db2.gz YVCQJYADZDBUMT-CQSZACIVSA-N 1 0 386.323 2.657 20 0 GFADRO CC[N@@H+]1CCCC[C@H]1CNS(=O)(=O)c1ccc(F)c(Br)c1 ZINC000439222608 563719995 /nfs/dbraw/zinc/71/99/95/563719995.db2.gz KUYMYJAMYXKMGA-NSHDSACASA-N 1 0 379.295 2.741 20 0 GFADRO O=C(Cc1ccccc1Br)NC[C@@H]1CCC[C@H]1[NH+]1CCOCC1 ZINC000363363219 563720627 /nfs/dbraw/zinc/72/06/27/563720627.db2.gz UJRDWXOIQJHYOR-DOTOQJQBSA-N 1 0 381.314 2.609 20 0 GFADRO CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(c2cccc(Br)c2)CC1 ZINC000439315294 563722089 /nfs/dbraw/zinc/72/20/89/563722089.db2.gz OTEDBYNSPNCJBZ-GFCCVEGCSA-N 1 0 382.302 2.863 20 0 GFADRO C[C@H]1CC[N@H+](C)CCN1C(=O)C(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000439341034 563722903 /nfs/dbraw/zinc/72/29/03/563722903.db2.gz LERIPVKKLCCTNF-JTQLQIEISA-N 1 0 377.794 2.850 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N2CC[N@@H+](C)CC[C@@H]2C)cc1Br ZINC000439356653 563723145 /nfs/dbraw/zinc/72/31/45/563723145.db2.gz WSUCCWREISQWAY-ZDUSSCGKSA-N 1 0 382.302 2.557 20 0 GFADRO CC(C)C[C@H](CO)[N@H+](C)C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000439427774 563723694 /nfs/dbraw/zinc/72/36/94/563723694.db2.gz BECRNSBKLTWHJY-CABCVRRESA-N 1 0 378.282 2.667 20 0 GFADRO O[C@H](COc1cc(F)cc(Br)c1)C[N@@H+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000439429504 563723875 /nfs/dbraw/zinc/72/38/75/563723875.db2.gz HWEZGHAJXVJSLK-ZENOOKHLSA-N 1 0 388.277 2.686 20 0 GFADRO C[NH+]1CCC(O)(CNC(=O)c2sc3ccccc3c2Br)CC1 ZINC000290864617 563724091 /nfs/dbraw/zinc/72/40/91/563724091.db2.gz PCVGDQKXDBRCMD-UHFFFAOYSA-N 1 0 383.311 2.850 20 0 GFADRO CC(C)(O)C[N@H+](C[C@H](O)COc1cc(F)cc(Br)c1)C1CC1 ZINC000439426317 563724085 /nfs/dbraw/zinc/72/40/85/563724085.db2.gz BATZWTWLHURRKR-AWEZNQCLSA-N 1 0 376.266 2.563 20 0 GFADRO C[C@]1([NH2+]C[C@@H](O)COc2cc(F)cc(Br)c2)CCO[C@H]1C1CC1 ZINC000439435322 563724758 /nfs/dbraw/zinc/72/47/58/563724758.db2.gz GMSSXCMRUOIULQ-PVAVHDDUSA-N 1 0 388.277 2.875 20 0 GFADRO COC[C@H]1CCC[N@H+](C[C@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000439436175 563724830 /nfs/dbraw/zinc/72/48/30/563724830.db2.gz HRGAKYINNMAYPP-WFASDCNBSA-N 1 0 376.266 2.686 20 0 GFADRO COc1ccc(OCCC[NH2+]Cc2ccc(S(N)(=O)=O)c(Cl)c2)cc1 ZINC000414296965 563725412 /nfs/dbraw/zinc/72/54/12/563725412.db2.gz FYGJUNORCGXHOX-UHFFFAOYSA-N 1 0 384.885 2.555 20 0 GFADRO CC[NH+](CC)[C@H]1CCN(C[C@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000439456510 563726797 /nfs/dbraw/zinc/72/67/97/563726797.db2.gz YIQSNYPJKDIEOU-HOTGVXAUSA-N 1 0 389.309 2.744 20 0 GFADRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)CCc3ccccc3Br)CC2)C1 ZINC000363661233 563729019 /nfs/dbraw/zinc/72/90/19/563729019.db2.gz QMPUZAVIMIDBFW-QGZVFWFLSA-N 1 0 394.357 2.620 20 0 GFADRO Cc1cc(C[NH2+]CCC(=O)N(C)Cc2ccccc2Br)nn1C ZINC000414354446 563729415 /nfs/dbraw/zinc/72/94/15/563729415.db2.gz XJKQLKOKYQVLFC-UHFFFAOYSA-N 1 0 379.302 2.629 20 0 GFADRO O=C(Nc1ccc2c(c1)C[NH2+]CCO2)c1n[nH]c(C2CC2)c1Br ZINC000291036827 563730311 /nfs/dbraw/zinc/73/03/11/563730311.db2.gz HRECEXQIZULSEJ-UHFFFAOYSA-N 1 0 377.242 2.784 20 0 GFADRO O=C(CCCc1ccccc1Br)N1CCN([C@H]2CCOC2)CC1 ZINC000363712536 563731070 /nfs/dbraw/zinc/73/10/70/563731070.db2.gz UOSVVSGMHMXECX-INIZCTEOSA-N 1 0 381.314 2.705 20 0 GFADRO COC(=O)CC1([NH2+]Cc2c(Cl)oc3ccccc32)CCS(=O)(=O)CC1 ZINC000439784283 563731351 /nfs/dbraw/zinc/73/13/51/563731351.db2.gz CLZRMLRIDBOHGR-UHFFFAOYSA-N 1 0 385.869 2.686 20 0 GFADRO CC1(C)CC(NC(=O)C(=O)Nc2ncc(C(F)(F)F)s2)CC(C)(C)[NH2+]1 ZINC000291218279 563734768 /nfs/dbraw/zinc/73/47/68/563734768.db2.gz CQRRWVFQIXVCKF-UHFFFAOYSA-N 1 0 378.420 2.526 20 0 GFADRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NS(=O)(=O)Cc1ccc(Br)cc1 ZINC000440104297 563736269 /nfs/dbraw/zinc/73/62/69/563736269.db2.gz XCTFOKCNRVKVQV-UONOGXRCSA-N 1 0 389.359 2.989 20 0 GFADRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NS(=O)(=O)c1cccc(Br)c1 ZINC000440092538 563736488 /nfs/dbraw/zinc/73/64/88/563736488.db2.gz PFXFMRREFNQNKP-QWHCGFSZSA-N 1 0 375.332 2.848 20 0 GFADRO C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000363941253 563737853 /nfs/dbraw/zinc/73/78/53/563737853.db2.gz RAXUDTPOYZXZLL-XQQFMLRXSA-N 1 0 384.307 2.855 20 0 GFADRO Cc1c(S(=O)(=O)N[C@@H](C)[C@H]2CCC[NH2+]C2)cnn1-c1ccc(Cl)cc1 ZINC000440342217 563739309 /nfs/dbraw/zinc/73/93/09/563739309.db2.gz RIPPSGBLFFJHMG-JSGCOSHPSA-N 1 0 382.917 2.501 20 0 GFADRO C[C@@H](NS(=O)(=O)c1cc(Br)ccc1Cl)[C@H]1CCC[NH2+]C1 ZINC000440337192 563739454 /nfs/dbraw/zinc/73/94/54/563739454.db2.gz BXTDJTXCHCSOTF-ZJUUUORDSA-N 1 0 381.723 2.769 20 0 GFADRO CC1(C)[C@@H]2OCCC[C@H]2[C@]1([NH3+])C(=O)NCCc1ccc(F)c(Br)c1 ZINC000364007496 563739749 /nfs/dbraw/zinc/73/97/49/563739749.db2.gz XDCYGCKJSDUKBL-DWQUBVKVSA-N 1 0 399.304 2.779 20 0 GFADRO Cc1c(S(=O)(=O)NCC[C@H]2CCC[NH2+]C2)cnn1-c1ccc(Cl)cc1 ZINC000440405440 563741369 /nfs/dbraw/zinc/74/13/69/563741369.db2.gz DOOHTXYMODSWID-CQSZACIVSA-N 1 0 382.917 2.502 20 0 GFADRO C[NH2+]C[C@@H]1CCN(S(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 ZINC000440417243 563741513 /nfs/dbraw/zinc/74/15/13/563741513.db2.gz XTEMBHUZRILPDD-VIFPVBQESA-N 1 0 390.349 2.954 20 0 GFADRO CS(=O)(=O)c1cc(C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c(Cl)cc1Cl ZINC000364079346 563742185 /nfs/dbraw/zinc/74/21/85/563742185.db2.gz SWLFSMMUFBJOAS-WDEREUQCSA-N 1 0 391.320 2.754 20 0 GFADRO O=S(=O)(c1ccc(Br)cc1Cl)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000440449751 563742190 /nfs/dbraw/zinc/74/21/90/563742190.db2.gz XBJZTTXGOXSZAK-LLVKDONJSA-N 1 0 379.707 2.618 20 0 GFADRO COC(=O)[C@H]1CN(Cc2cc(Br)c(Cl)s2)CC[N@H+](C)C1 ZINC000414495547 563744235 /nfs/dbraw/zinc/74/42/35/563744235.db2.gz XILAQBIPWXFLKG-SECBINFHSA-N 1 0 381.723 2.701 20 0 GFADRO CC(C)(CN1CCOCC1)[NH2+]Cc1cn(-c2cccc(Cl)c2Cl)nn1 ZINC000414541280 563745870 /nfs/dbraw/zinc/74/58/70/563745870.db2.gz CJHVMAIYFJGYOG-UHFFFAOYSA-N 1 0 384.311 2.775 20 0 GFADRO CNC(=O)NC1CC[NH+](CC2=Cc3cc(Br)ccc3OC2)CC1 ZINC000414539424 563745902 /nfs/dbraw/zinc/74/59/02/563745902.db2.gz DMEYBIJENYMXKZ-UHFFFAOYSA-N 1 0 380.286 2.618 20 0 GFADRO CCOc1cccc(C[NH2+]CC2(CS(C)(=O)=O)CCC2)c1OC(F)F ZINC000414558310 563746781 /nfs/dbraw/zinc/74/67/81/563746781.db2.gz NAWXYIJMJFFBMZ-UHFFFAOYSA-N 1 0 377.453 2.991 20 0 GFADRO Cc1nnsc1CNC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000291549929 563747544 /nfs/dbraw/zinc/74/75/44/563747544.db2.gz AYTSKQVKFRMBMY-UHFFFAOYSA-N 1 0 379.917 2.964 20 0 GFADRO COc1cc(C(=O)N2CC[C@@]3(CCC[C@H]3[NH3+])C2)cc(OC)c1Br ZINC000364255250 563747599 /nfs/dbraw/zinc/74/75/99/563747599.db2.gz IXPUUFSTTKPCEG-PBHICJAKSA-N 1 0 383.286 2.810 20 0 GFADRO O=C(Nc1cc(C(F)(F)F)ccc1Cl)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000414678173 563749956 /nfs/dbraw/zinc/74/99/56/563749956.db2.gz VOYDHHFXHGFUDA-GFCCVEGCSA-N 1 0 376.810 2.870 20 0 GFADRO CS(=O)(=O)c1cc(C(=O)N2CCC[N@@H+]3CCC[C@H]3C2)c(Cl)cc1Cl ZINC000364380781 563751110 /nfs/dbraw/zinc/75/11/10/563751110.db2.gz UPEFGECQFCCSNO-NSHDSACASA-N 1 0 391.320 2.707 20 0 GFADRO COc1ccc([C@@H]2CC[NH2+]C[C@H]2NS(=O)(=O)c2cc(C)sc2C)cc1 ZINC000440850447 563752519 /nfs/dbraw/zinc/75/25/19/563752519.db2.gz CPDIXQVCSFNCSQ-DLBZAZTESA-N 1 0 380.535 2.798 20 0 GFADRO CC(=O)NCCN(Cc1ccc(Br)s1)C[C@@H]([NH3+])CC(C)C ZINC000414760159 563752530 /nfs/dbraw/zinc/75/25/30/563752530.db2.gz GLMQJMMTPHUOKR-ZDUSSCGKSA-N 1 0 376.364 2.822 20 0 GFADRO Cc1cc(Br)cc(S(=O)(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)c1 ZINC000440853191 563752565 /nfs/dbraw/zinc/75/25/65/563752565.db2.gz BKXKOGYUUMFSNT-INIZCTEOSA-N 1 0 387.343 2.910 20 0 GFADRO C[NH2+]C[C@@H]1CCCN1C(=O)Nc1cc(Br)ccc1N1CCOCC1 ZINC000414931191 563754576 /nfs/dbraw/zinc/75/45/76/563754576.db2.gz QYHGEDDDBSMTIP-AWEZNQCLSA-N 1 0 397.317 2.501 20 0 GFADRO C[NH2+][C@@H]1CCCN(C(=O)Nc2cc(Br)ccc2N2CCOCC2)C1 ZINC000414925252 563754704 /nfs/dbraw/zinc/75/47/04/563754704.db2.gz IFMMXOGVOALQQJ-CQSZACIVSA-N 1 0 397.317 2.501 20 0 GFADRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1nc(C2CC2)ncc1Br ZINC000291730697 563755880 /nfs/dbraw/zinc/75/58/80/563755880.db2.gz JOGISLKQBUTHMA-RISCZKNCSA-N 1 0 379.302 2.815 20 0 GFADRO Brc1cc(CN2CC[C@@H](n3cncn3)C2)cc2c1OCCCO2 ZINC000364529244 563756047 /nfs/dbraw/zinc/75/60/47/563756047.db2.gz RDPIJNLDHXCEFH-CYBMUJFWSA-N 1 0 379.258 2.649 20 0 GFADRO COc1ccc(Br)cc1NC(=O)N1CCC(OCCC[NH3+])CC1 ZINC000414984342 563756383 /nfs/dbraw/zinc/75/63/83/563756383.db2.gz GDSMOUMGLRZIBB-UHFFFAOYSA-N 1 0 386.290 2.819 20 0 GFADRO C[NH2+]CC1CCN(C(=O)Nc2cc(OC)c(OC)cc2Br)CC1 ZINC000414984252 563756424 /nfs/dbraw/zinc/75/64/24/563756424.db2.gz ABXXIPKTLZZSFY-UHFFFAOYSA-N 1 0 386.290 2.930 20 0 GFADRO C[C@@H](CC(=O)Nc1ccc(Br)cc1)N[C@@H]1C[NH2+]CCC1(F)F ZINC000415009789 563756833 /nfs/dbraw/zinc/75/68/33/563756833.db2.gz XQDZUFZQDYEBPU-GXFFZTMASA-N 1 0 376.245 2.753 20 0 GFADRO COc1cc(Br)cc(C)c1NC(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000414997903 563756989 /nfs/dbraw/zinc/75/69/89/563756989.db2.gz ZZNRWCGHNBXHJQ-NSHDSACASA-N 1 0 378.217 2.885 20 0 GFADRO CSc1ccccc1[C@H](C)[NH2+]Cc1cnn([C@@]2(C)CCS(=O)(=O)C2)c1 ZINC000441356264 563758273 /nfs/dbraw/zinc/75/82/73/563758273.db2.gz QCYVOFSRNKQIBN-KSSFIOAISA-N 1 0 379.551 2.990 20 0 GFADRO O=S(=O)(NCC[NH2+]Cc1ccc(F)c(Cl)c1)c1ccc(F)cc1F ZINC000441334059 563758332 /nfs/dbraw/zinc/75/83/32/563758332.db2.gz WAJIKSBTAPGYKG-UHFFFAOYSA-N 1 0 378.803 2.825 20 0 GFADRO CC(C)c1nn(-c2ccc(Br)cc2)cc1CNC[C@@H]1C[NH2+]CCO1 ZINC000415099104 563758716 /nfs/dbraw/zinc/75/87/16/563758716.db2.gz XSPBTPGAKZJUFI-KRWDZBQOSA-N 1 0 393.329 2.836 20 0 GFADRO C[NH2+][C@@H]1CCCN(C(=O)Nc2cc(F)c(I)c(F)c2)C1 ZINC000415114769 563759582 /nfs/dbraw/zinc/75/95/82/563759582.db2.gz GEGPFQFQNVTUPX-MRVPVSSYSA-N 1 0 395.191 2.785 20 0 GFADRO [NH3+][C@@H]1CCCN(C(=O)Nc2cc(F)c(I)c(F)c2)C1 ZINC000415122157 563759782 /nfs/dbraw/zinc/75/97/82/563759782.db2.gz NNXGNSNRPAZQFN-SSDOTTSWSA-N 1 0 381.164 2.524 20 0 GFADRO O=C1N[C@H]2CN(Cc3cccc(Cl)c3Cl)CC[C@H]2N1C1CC[NH2+]CC1 ZINC000415142378 563761119 /nfs/dbraw/zinc/76/11/19/563761119.db2.gz RHODCARICUSXPC-JKSUJKDBSA-N 1 0 383.323 2.714 20 0 GFADRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)Nc2cc(Br)ccc2-n2cccn2)C1 ZINC000415163721 563761353 /nfs/dbraw/zinc/76/13/53/563761353.db2.gz OUPUGFLCMANYBL-DGCLKSJQSA-N 1 0 378.274 2.884 20 0 GFADRO C[NH2+][C@@H]1CCN(C(=O)Nc2ccc(CCn3cc(Br)cn3)cc2)C1 ZINC000415214456 563762275 /nfs/dbraw/zinc/76/22/75/563762275.db2.gz QLCDZICFLCYETO-MRXNPFEDSA-N 1 0 392.301 2.714 20 0 GFADRO Cc1cc(Br)ccc1CNC(=O)[C@]1([NH3+])[C@H]2CCCO[C@H]2C1(C)C ZINC000364729793 563762639 /nfs/dbraw/zinc/76/26/39/563762639.db2.gz IFJMNJKOHPAZGO-HDMKZQKVSA-N 1 0 381.314 2.906 20 0 GFADRO C[N@H+](CCNC(=O)c1nc(C2CC2)ncc1Br)Cc1ccccc1 ZINC000291881315 563762792 /nfs/dbraw/zinc/76/27/92/563762792.db2.gz XMKHILRCIAJQRJ-UHFFFAOYSA-N 1 0 389.297 2.978 20 0 GFADRO [NH3+]C[C@H]1CCCN1C(=O)Nc1ccc(CCn2cc(Br)cn2)cc1 ZINC000415219498 563762948 /nfs/dbraw/zinc/76/29/48/563762948.db2.gz YALDBMWHCJXVBA-MRXNPFEDSA-N 1 0 392.301 2.843 20 0 GFADRO O=C(NCC[C@@H]1CC[NH2+]C1)Nc1cc(F)c(F)cc1I ZINC000415235943 563763238 /nfs/dbraw/zinc/76/32/38/563763238.db2.gz DNUPQYKRMDJFJT-QMMMGPOBSA-N 1 0 395.191 2.691 20 0 GFADRO CC(C)[C@@H]([NH3+])CNC(=O)Nc1ccc(CCn2cc(Br)cn2)cc1 ZINC000415220655 563763243 /nfs/dbraw/zinc/76/32/43/563763243.db2.gz ZGIUWKZNPIJGPT-INIZCTEOSA-N 1 0 394.317 2.993 20 0 GFADRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)Nc1cc(F)c(F)cc1I ZINC000415244335 563763483 /nfs/dbraw/zinc/76/34/83/563763483.db2.gz XPWNXPJTRLKEOU-JGVFFNPUSA-N 1 0 395.191 2.770 20 0 GFADRO CN(C(=O)c1ccc(NC(=O)[C@H]2CC2(Cl)Cl)cc1)[C@H]1CCC[N@H+](C)C1 ZINC000364794863 563763899 /nfs/dbraw/zinc/76/38/99/563763899.db2.gz NHWMRBPIYJQWTO-LSDHHAIUSA-N 1 0 384.307 2.985 20 0 GFADRO [NH3+]CCCNC(=O)Nc1ccc(I)cc1Br ZINC000415253114 563764108 /nfs/dbraw/zinc/76/41/08/563764108.db2.gz PJODYJXYCQDECT-UHFFFAOYSA-N 1 0 398.042 2.524 20 0 GFADRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)Nc1ccc(F)cc1I ZINC000415254456 563764282 /nfs/dbraw/zinc/76/42/82/563764282.db2.gz SIOMZUSPHDDZSP-KWQFWETISA-N 1 0 377.201 2.550 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)Nc2ccc(F)cc2I)CC[NH2+]1 ZINC000415255051 563764387 /nfs/dbraw/zinc/76/43/87/563764387.db2.gz UNGCAMQDCIAHGI-SCZZXKLOSA-N 1 0 377.201 2.692 20 0 GFADRO [NH3+]C[C@H](NC(=O)Nc1cc(I)ccc1Cl)C1CC1 ZINC000415275106 563764812 /nfs/dbraw/zinc/76/48/12/563764812.db2.gz YCTLWWGAIIGPDT-NSHDSACASA-N 1 0 379.629 2.803 20 0 GFADRO C[C@H]1CN(C(=O)Nc2ccc(Cl)cc2I)CC[NH2+]1 ZINC000415279926 563765497 /nfs/dbraw/zinc/76/54/97/563765497.db2.gz FJGJWXVBHYNXTC-QMMMGPOBSA-N 1 0 379.629 2.770 20 0 GFADRO [NH3+]C1(CNC(=O)C(=O)Nc2cc3c(cc2Br)CCC3)CCCCC1 ZINC000415291332 563766064 /nfs/dbraw/zinc/76/60/64/563766064.db2.gz JJHJHFYJHLQTQU-UHFFFAOYSA-N 1 0 394.313 2.654 20 0 GFADRO C[C@@H](NC(=O)Nc1cccc(Oc2ncc(Br)cn2)c1)[C@H](C)[NH3+] ZINC000415300955 563766159 /nfs/dbraw/zinc/76/61/59/563766159.db2.gz LGZRPMGKFHORCO-VHSXEESVSA-N 1 0 380.246 2.889 20 0 GFADRO COC(=O)c1ccc(S(=O)(=O)NC[C@@H](C)C[NH+]2CCCCC2)cc1Cl ZINC000441978587 563766488 /nfs/dbraw/zinc/76/64/88/563766488.db2.gz YFOYYKPPXUTXBY-CYBMUJFWSA-N 1 0 388.917 2.527 20 0 GFADRO COC(=O)c1cc(Br)ccc1NC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000415321606 563766667 /nfs/dbraw/zinc/76/66/67/563766667.db2.gz AIMHNDJNKAOCNI-TXEJJXNPSA-N 1 0 382.258 2.594 20 0 GFADRO COC(=O)c1cc(Br)ccc1NC(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000415329311 563767378 /nfs/dbraw/zinc/76/73/78/563767378.db2.gz KCVRLRNYXDDPBT-LBPRGKRZSA-N 1 0 382.258 2.594 20 0 GFADRO CCOC(=O)c1c(NC(=O)N2CC[C@](C)(C[NH3+])C2)sc2c1CCSC2 ZINC000415326476 563767426 /nfs/dbraw/zinc/76/74/26/563767426.db2.gz ACCOJJNPESOSNX-QGZVFWFLSA-N 1 0 383.539 2.917 20 0 GFADRO CCOC(=O)c1cc(Br)ccc1NC(=O)N(C)[C@@H](C[NH3+])C1CC1 ZINC000415345334 563768748 /nfs/dbraw/zinc/76/87/48/563768748.db2.gz FSAQBFRCXFDVGM-AWEZNQCLSA-N 1 0 384.274 2.827 20 0 GFADRO CCOC(=O)c1cc(Br)ccc1NC(=O)N[C@@](C)(C[NH3+])C1CC1 ZINC000415349224 563768963 /nfs/dbraw/zinc/76/89/63/563768963.db2.gz LLCOLCMTMVQJPH-INIZCTEOSA-N 1 0 384.274 2.875 20 0 GFADRO CC1(C)[NH2+]CC[C@@H]1NC(=O)Nc1cnn(-c2ccccc2Br)c1 ZINC000415352343 563769324 /nfs/dbraw/zinc/76/93/24/563769324.db2.gz KHVKULIKRXBMSU-AWEZNQCLSA-N 1 0 378.274 2.897 20 0 GFADRO NC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1CCC(=O)Nc1ccc(Br)cc1F ZINC000364951568 563769416 /nfs/dbraw/zinc/76/94/16/563769416.db2.gz HKGWMSNMMHURBR-PKWAYOAASA-N 1 0 398.276 2.503 20 0 GFADRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)Nc1cccc(F)c1I ZINC000415353266 563769626 /nfs/dbraw/zinc/76/96/26/563769626.db2.gz CLQUUOKVYQLNKF-BDAKNGLRSA-N 1 0 377.201 2.631 20 0 GFADRO CCOC(=O)c1cc(Br)ccc1NC(=O)NCC1=CC[NH2+]CC1 ZINC000415355993 563770194 /nfs/dbraw/zinc/77/01/94/563770194.db2.gz UQARGPYGEARTFV-UHFFFAOYSA-N 1 0 382.258 2.667 20 0 GFADRO COc1cc(S(=O)(=O)NC[C@H]2CC[N@H+](C)[C@@H]2c2cccs2)ccc1F ZINC000364988876 563771164 /nfs/dbraw/zinc/77/11/64/563771164.db2.gz GUGOLXOMHWDQJL-PXAZEXFGSA-N 1 0 384.498 2.867 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H](NC(=O)Nc2cccc(F)c2I)C1 ZINC000415366839 563771310 /nfs/dbraw/zinc/77/13/10/563771310.db2.gz XAEFTZFIQDSEGC-RKDXNWHRSA-N 1 0 377.201 2.822 20 0 GFADRO [NH3+]CCN(CCO)C(=O)Nc1cc(Cl)c(OCC(F)(F)F)c(Cl)c1 ZINC000415376140 563771484 /nfs/dbraw/zinc/77/14/84/563771484.db2.gz KNDAIDNHOHJOJX-UHFFFAOYSA-N 1 0 390.189 2.719 20 0 GFADRO Cc1cc(NC(=O)C(=O)N2CCC([C@H](C)[NH3+])CC2)cc(C)c1Br ZINC000415382665 563771817 /nfs/dbraw/zinc/77/18/17/563771817.db2.gz KSOKKORSNPZVDB-LBPRGKRZSA-N 1 0 382.302 2.590 20 0 GFADRO C[C@H]([NH3+])C1CCN(C(=O)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000415387656 563771909 /nfs/dbraw/zinc/77/19/09/563771909.db2.gz QWUPQYHIVYLCIU-VIFPVBQESA-N 1 0 377.794 2.883 20 0 GFADRO CC(C)c1cc(Br)ccc1NC(=O)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000415400239 563772431 /nfs/dbraw/zinc/77/24/31/563772431.db2.gz VSOPNTZAZCIKRA-LBPRGKRZSA-N 1 0 382.302 2.627 20 0 GFADRO C[C@H](CCCC[NH3+])NC(=O)[C@@H]1CCCN1C(=O)c1ccc(Br)cc1 ZINC000292078362 563772474 /nfs/dbraw/zinc/77/24/74/563772474.db2.gz LXGPLPDZGFJWOW-CJNGLKHVSA-N 1 0 396.329 2.687 20 0 GFADRO Cc1cc(F)c(Br)cc1NC(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000365072493 563772544 /nfs/dbraw/zinc/77/25/44/563772544.db2.gz PGOQXXHGJMXVSS-VXGBXAGGSA-N 1 0 386.265 2.881 20 0 GFADRO COc1cc(NC(=O)N[C@H]2C[NH2+]CCC2(F)F)cc(OC)c1Br ZINC000415407643 563773037 /nfs/dbraw/zinc/77/30/37/563773037.db2.gz GHDMSPAHJGBOPX-NSHDSACASA-N 1 0 394.216 2.585 20 0 GFADRO Cc1[nH+]c2ccc(Br)cc2c(NCc2nnc3n2CCOC3)c1C ZINC000365088330 563773203 /nfs/dbraw/zinc/77/32/03/563773203.db2.gz PWBIBMVNOKNTMP-UHFFFAOYSA-N 1 0 388.269 2.770 20 0 GFADRO O=C(NCC[C@@H]1CC[NH2+]C1)C(=O)Nc1cccc(Cl)c1SCC(F)F ZINC000415409604 563773630 /nfs/dbraw/zinc/77/36/30/563773630.db2.gz TZONBOWCVRQBDZ-JTQLQIEISA-N 1 0 391.871 2.752 20 0 GFADRO [NH3+][C@H]1CCC[C@]12CCN(C(=O)c1cnn(-c3cccc(Br)c3)c1)C2 ZINC000365106666 563773938 /nfs/dbraw/zinc/77/39/38/563773938.db2.gz VXEBLTDWQGUMOI-FUHWJXTLSA-N 1 0 389.297 2.978 20 0 GFADRO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)Nc1ccc(Br)cc1Cl ZINC000415424060 563774308 /nfs/dbraw/zinc/77/43/08/563774308.db2.gz HRCZSTIXUIDHKO-JTQLQIEISA-N 1 0 376.682 2.531 20 0 GFADRO CN1CC[NH+](C[C@H]2CCCN(C(=O)c3ccc(Br)cc3F)C2)CC1 ZINC000365120592 563774703 /nfs/dbraw/zinc/77/47/03/563774703.db2.gz ZDRVOTNBQMJUBZ-CQSZACIVSA-N 1 0 398.320 2.688 20 0 GFADRO COCCOc1ccc(Br)cc1NC(=O)NCCC[NH2+]C1CC1 ZINC000415428728 563774888 /nfs/dbraw/zinc/77/48/88/563774888.db2.gz QPEUSMWCYFUJSN-UHFFFAOYSA-N 1 0 386.290 2.738 20 0 GFADRO COCCOc1ccc(Br)cc1NC(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000415430525 563775072 /nfs/dbraw/zinc/77/50/72/563775072.db2.gz SXUJGAQSDXHTNU-YPMHNXCESA-N 1 0 386.290 2.594 20 0 GFADRO [NH3+]CC[C@H]1CCCN(C(=O)C2CCN(C(=O)c3ccc(Cl)s3)CC2)C1 ZINC000442606215 563775331 /nfs/dbraw/zinc/77/53/31/563775331.db2.gz OZUIICPXISYHRQ-CYBMUJFWSA-N 1 0 383.945 2.841 20 0 GFADRO [NH3+]CC[C@@H]1CCCN(C(=O)[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C1 ZINC000442621979 563775914 /nfs/dbraw/zinc/77/59/14/563775914.db2.gz VJNBIWUOPWQKPT-GXTWGEPZSA-N 1 0 384.307 2.934 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)C(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000415451920 563776196 /nfs/dbraw/zinc/77/61/96/563776196.db2.gz SVCJTFDTRHVUBB-YPMHNXCESA-N 1 0 382.302 2.536 20 0 GFADRO CC[NH2+][C@H](C)CNC(=O)Nc1cc(Br)ccc1OCCOCC ZINC000415463383 563776862 /nfs/dbraw/zinc/77/68/62/563776862.db2.gz QBZAUOMXTSWQJY-GFCCVEGCSA-N 1 0 388.306 2.984 20 0 GFADRO O=C([C@H]1C[NH+]2CCC1CC2)N1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000365218674 563777741 /nfs/dbraw/zinc/77/77/41/563777741.db2.gz HVFZNHJMNMEUOZ-IRXDYDNUSA-N 1 0 379.298 2.691 20 0 GFADRO CC[NH2+]CC1CCN(C(=O)C(=O)Nc2cc(Br)ccc2C)CC1 ZINC000415475344 563778280 /nfs/dbraw/zinc/77/82/80/563778280.db2.gz HVPFVFCUZHDORT-UHFFFAOYSA-N 1 0 382.302 2.544 20 0 GFADRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)Nc1ccc(Cl)cc1OC(F)F ZINC000415493442 563778968 /nfs/dbraw/zinc/77/89/68/563778968.db2.gz VAEWNDPGDWPFLA-NSHDSACASA-N 1 0 377.819 2.712 20 0 GFADRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)Nc1ccnn1Cc1ccccc1Br ZINC000415518951 563780675 /nfs/dbraw/zinc/78/06/75/563780675.db2.gz DJTVGHMLHRYUIT-SWLSCSKDSA-N 1 0 392.301 2.813 20 0 GFADRO CCC[NH2+]CCNC(=O)C(=O)Nc1ccc(Br)c(C(F)(F)F)c1 ZINC000415516980 563780703 /nfs/dbraw/zinc/78/07/03/563780703.db2.gz IBTOCDVNWKCJNF-UHFFFAOYSA-N 1 0 396.207 2.522 20 0 GFADRO C[NH2+][C@@H]1CCN(C(=O)Nc2ccnn2Cc2ccccc2Br)C1 ZINC000415522808 563781245 /nfs/dbraw/zinc/78/12/45/563781245.db2.gz NOZFKHMKLRGXNZ-CYBMUJFWSA-N 1 0 378.274 2.520 20 0 GFADRO C[C@H](c1ccccc1)[C@H]([NH2+]C[C@@H](O)c1ccc(Br)cc1)C(N)=O ZINC000292282811 563781356 /nfs/dbraw/zinc/78/13/56/563781356.db2.gz SXJQWHKRQVERNS-JLZZUVOBSA-N 1 0 377.282 2.730 20 0 GFADRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)Nc1ccc(Br)c2ccccc12 ZINC000415523147 563781397 /nfs/dbraw/zinc/78/13/97/563781397.db2.gz NCLZSHVSBHTYFU-VXGBXAGGSA-N 1 0 390.281 2.737 20 0 GFADRO COc1cc(OC)c(NC(=O)N2CC[C@@]3(CC[NH2+]C3)C2)cc1Br ZINC000415524556 563781871 /nfs/dbraw/zinc/78/18/71/563781871.db2.gz BCFAZLSOGOWCEW-MRXNPFEDSA-N 1 0 384.274 2.684 20 0 GFADRO [NH3+][C@@H](CNC(=O)Nc1ccnn1Cc1ccc(Br)cc1)C1CC1 ZINC000415524314 563781978 /nfs/dbraw/zinc/78/19/78/563781978.db2.gz HKSKLYOKKFGYQP-AWEZNQCLSA-N 1 0 378.274 2.553 20 0 GFADRO C[C@@H]1CN(C(=O)Nc2ccnn2Cc2ccc(Br)cc2)CC[NH2+]1 ZINC000415523516 563782018 /nfs/dbraw/zinc/78/20/18/563782018.db2.gz GJINQGDCPJEXGM-GFCCVEGCSA-N 1 0 378.274 2.520 20 0 GFADRO CS(=O)(=O)N1CC(C[NH2+][C@@H]2CC[C@H](c3ccc(C(F)(F)F)cc3)C2)C1 ZINC000442850524 563782246 /nfs/dbraw/zinc/78/22/46/563782246.db2.gz IIFSHALJZFKOJS-GOEBONIOSA-N 1 0 376.444 2.823 20 0 GFADRO NC(=O)N1CCCN(Cc2ccc(OC(F)(F)F)c(Br)c2)CC1 ZINC000365418191 563782439 /nfs/dbraw/zinc/78/24/39/563782439.db2.gz OLFRVGSEALMCEI-UHFFFAOYSA-N 1 0 396.207 2.934 20 0 GFADRO C[C@H]1CCCC[N@@H+]1CCC1CCN(S(=O)(=O)c2c(Cl)cnn2C)CC1 ZINC000365434520 563783233 /nfs/dbraw/zinc/78/32/33/563783233.db2.gz GGLRYLGNSLWBGR-AWEZNQCLSA-N 1 0 388.965 2.739 20 0 GFADRO COc1cc(OC)c(NC(=O)N2C[C@@H](C)[C@](C)(C[NH3+])C2)cc1Br ZINC000415532522 563783211 /nfs/dbraw/zinc/78/32/11/563783211.db2.gz YTUWDDGLMKGPJK-QLJPJBMISA-N 1 0 386.290 2.915 20 0 GFADRO Cc1c(Br)cccc1NC(=O)C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000415539467 563783668 /nfs/dbraw/zinc/78/36/68/563783668.db2.gz KBFUNHOUZIXPIN-MRXNPFEDSA-N 1 0 394.313 2.687 20 0 GFADRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)Nc1cccnc1-c1ccc(Cl)s1 ZINC000415542112 563783806 /nfs/dbraw/zinc/78/38/06/563783806.db2.gz PKOAOGJGZVEMLF-WDEREUQCSA-N 1 0 378.885 2.598 20 0 GFADRO O=C(Nc1cc(Br)ccc1F)C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000415536432 563783842 /nfs/dbraw/zinc/78/38/42/563783842.db2.gz FFCRUBRNYVHDNG-AWEZNQCLSA-N 1 0 398.276 2.517 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000415563921 563784314 /nfs/dbraw/zinc/78/43/14/563784314.db2.gz BMHFHINCDKMWGZ-UHFFFAOYSA-N 1 0 382.302 2.510 20 0 GFADRO CC(C)c1cc(Br)ccc1NC(=O)C(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000415575057 563784853 /nfs/dbraw/zinc/78/48/53/563784853.db2.gz PBPKYMKIQNHGLG-VXGBXAGGSA-N 1 0 382.302 2.707 20 0 GFADRO CC(C)c1cc(Br)ccc1NC(=O)C(=O)N1CC[C@H]([C@H](C)[NH3+])C1 ZINC000415575056 563785155 /nfs/dbraw/zinc/78/51/55/563785155.db2.gz PBPKYMKIQNHGLG-RYUDHWBXSA-N 1 0 382.302 2.707 20 0 GFADRO COC(=O)c1c(Br)ccc(NC(=O)NCC2=CC[NH2+]CC2)c1C ZINC000415592807 563785530 /nfs/dbraw/zinc/78/55/30/563785530.db2.gz CSBFUUUJNBXYOB-UHFFFAOYSA-N 1 0 382.258 2.585 20 0 GFADRO COC(=O)c1c(Br)ccc(NC(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)c1C ZINC000415591770 563785630 /nfs/dbraw/zinc/78/56/30/563785630.db2.gz BBMUMPRIQTTXDI-NWDGAFQWSA-N 1 0 396.285 2.617 20 0 GFADRO C[C@@]1(CNC(=O)C(=O)Nc2ccc(Cl)cc2Br)CCC[NH2+]C1 ZINC000415588958 563785799 /nfs/dbraw/zinc/78/57/99/563785799.db2.gz YESNPNMKNCCAJA-OAHLLOKOSA-N 1 0 388.693 2.547 20 0 GFADRO Cn1ccnc1[C@H]1CCCN(S(=O)(=O)c2c(Cl)ccnc2Cl)C1 ZINC000365531690 563785911 /nfs/dbraw/zinc/78/59/11/563785911.db2.gz GIABXTCFCFJYEI-JTQLQIEISA-N 1 0 375.281 2.690 20 0 GFADRO COC(=O)c1c(Br)ccc(NC(=O)N[C@@H]2CC[NH2+]C2(C)C)c1C ZINC000415594863 563786258 /nfs/dbraw/zinc/78/62/58/563786258.db2.gz GTUABAZVSQBFNF-GFCCVEGCSA-N 1 0 384.274 2.806 20 0 GFADRO COC(=O)c1c(Br)ccc(NC(=O)N[C@@H]2C[NH2+]CC[C@H]2C)c1C ZINC000415593890 563786365 /nfs/dbraw/zinc/78/63/65/563786365.db2.gz FPSYEAIELQZNJV-NOZJJQNGSA-N 1 0 384.274 2.664 20 0 GFADRO COc1ccc(NC(=O)N2C[C@H](C)[NH2+]C[C@@H]2C)c(I)c1 ZINC000415593483 563786421 /nfs/dbraw/zinc/78/64/21/563786421.db2.gz HDUJGDKLJDPFCC-UWVGGRQHSA-N 1 0 389.237 2.514 20 0 GFADRO Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)NC(=O)[C@H]([NH3+])CCC(N)=O ZINC000365544960 563786756 /nfs/dbraw/zinc/78/67/56/563786756.db2.gz ACMNWYAQSSXTBI-NOZJJQNGSA-N 1 0 380.901 2.542 20 0 GFADRO COC(=O)c1cc(F)c(Br)cc1NC(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000415630314 563788679 /nfs/dbraw/zinc/78/86/79/563788679.db2.gz FHHUGMIWYHSHRP-DTWKUNHWSA-N 1 0 388.237 2.624 20 0 GFADRO CC(C)C[C@H](C[NH3+])NC(=O)Nc1ccc(-c2ccc(Br)s2)nn1 ZINC000415636627 563789445 /nfs/dbraw/zinc/78/94/45/563789445.db2.gz GJHIWDDFSXJICB-SNVBAGLBSA-N 1 0 398.330 3.463 20 0 GFADRO [NH3+][C@@H]1CCC[C@H](NC(=O)C(=O)Nc2cc(F)ccc2SCC(F)F)C1 ZINC000415646732 563790245 /nfs/dbraw/zinc/79/02/45/563790245.db2.gz NCTKDHMEGWBAPN-MNOVXSKESA-N 1 0 375.416 2.508 20 0 GFADRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)Nc1cccc(Cl)c1SCC(F)F ZINC000415657011 563790787 /nfs/dbraw/zinc/79/07/87/563790787.db2.gz PTJIZPTUOXFHDP-ONGXEEELSA-N 1 0 391.871 2.750 20 0 GFADRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)Nc1cccc(Cl)c1SCC(F)F ZINC000415657009 563790833 /nfs/dbraw/zinc/79/08/33/563790833.db2.gz PTJIZPTUOXFHDP-KOLCDFICSA-N 1 0 391.871 2.750 20 0 GFADRO Cc1cc(Cl)cc(NC(=O)C(=O)N[C@H]2CC[NH2+][C@@H](C)C2)c1Br ZINC000415665212 563790860 /nfs/dbraw/zinc/79/08/60/563790860.db2.gz UGSAZIIZFFUMQX-ONGXEEELSA-N 1 0 388.693 2.606 20 0 GFADRO [NH3+]CC[C@H]1CCCN(C(=O)C(=O)Nc2ccc(Cl)cc2Br)C1 ZINC000415682485 563791170 /nfs/dbraw/zinc/79/11/70/563791170.db2.gz VFIOKKWZNGUDIG-SNVBAGLBSA-N 1 0 388.693 2.628 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N2CCC[C@H](CC[NH3+])C2)cc1Br ZINC000415691025 563791240 /nfs/dbraw/zinc/79/12/40/563791240.db2.gz PGFZTWSPNZLRMI-CYBMUJFWSA-N 1 0 382.302 2.592 20 0 GFADRO COC(=O)c1cc(NC(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)c(C)cc1Br ZINC000415704820 563791864 /nfs/dbraw/zinc/79/18/64/563791864.db2.gz IGCSXKNJAULWMK-NEPJUHHUSA-N 1 0 396.285 2.617 20 0 GFADRO CN(C[C@@H](O)C[NH3+])C(=O)Nc1ncc(Cc2cc(Cl)ccc2Cl)s1 ZINC000415707490 563792034 /nfs/dbraw/zinc/79/20/34/563792034.db2.gz GIBAVPMSLABGRT-NSHDSACASA-N 1 0 389.308 2.824 20 0 GFADRO C[N@@H+]1CC[C@]2(CCN(C(=O)c3cnnn3-c3c(Cl)cccc3Cl)C2)C1 ZINC000292634653 563792212 /nfs/dbraw/zinc/79/22/12/563792212.db2.gz WCAGHMKOVTUKCL-KRWDZBQOSA-N 1 0 380.279 2.742 20 0 GFADRO CNC(=O)c1cccc(NC(=O)NCC2([NH3+])CCCCC2)c1Br ZINC000415711995 563792457 /nfs/dbraw/zinc/79/24/57/563792457.db2.gz ULERDEAPIUPWNE-UHFFFAOYSA-N 1 0 383.290 2.592 20 0 GFADRO Cc1c(Br)cccc1NC(=O)C(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000415745201 563793786 /nfs/dbraw/zinc/79/37/86/563793786.db2.gz QHSCOCVXAKUVSF-JOCQHMNTSA-N 1 0 382.302 2.577 20 0 GFADRO Cc1c2cc(Cl)ccc2oc1S(=O)(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000443157267 563794038 /nfs/dbraw/zinc/79/40/38/563794038.db2.gz QUFUXXWVJJNAJJ-AWEZNQCLSA-N 1 0 386.901 2.520 20 0 GFADRO CN(Cc1cc(Br)cs1)C(=O)CN1CC[C@H](n2cccn2)C1 ZINC000365830120 563794262 /nfs/dbraw/zinc/79/42/62/563794262.db2.gz FQHPBWMEDZVSPK-ZDUSSCGKSA-N 1 0 383.315 2.613 20 0 GFADRO CC[C@@H](C)[N@H+](C)CCNc1cnn(-c2ccccn2)c(=O)c1Br ZINC000292728059 563794225 /nfs/dbraw/zinc/79/42/25/563794225.db2.gz IPKZUAAJVQBSFO-GFCCVEGCSA-N 1 0 380.290 2.532 20 0 GFADRO COc1cc(I)ccc1NC(=O)N(C)[C@@H](C[NH3+])C1CC1 ZINC000415773585 563795605 /nfs/dbraw/zinc/79/56/05/563795605.db2.gz NDTUAQZDXJWFCO-LBPRGKRZSA-N 1 0 389.237 2.501 20 0 GFADRO CN(C(=O)C(=O)Nc1cccc(Cl)c1SCC(F)F)C1CC([NH3+])C1 ZINC000415789963 563796314 /nfs/dbraw/zinc/79/63/14/563796314.db2.gz OEUBAJZMCOOJEL-UHFFFAOYSA-N 1 0 377.844 2.584 20 0 GFADRO [NH3+][C@@H]1CCN(C(=O)Nc2cnn(Cc3ccc(Br)cc3Cl)c2)C1 ZINC000415813449 563797656 /nfs/dbraw/zinc/79/76/56/563797656.db2.gz BTEQXROIFWCCLD-GFCCVEGCSA-N 1 0 398.692 2.912 20 0 GFADRO CC[NH+](CC)Cc1ccccc1CNC(=O)c1nn(C)cc1Br ZINC000292978267 563797985 /nfs/dbraw/zinc/79/79/85/563797985.db2.gz HTAIWVWYUUFBAE-UHFFFAOYSA-N 1 0 379.302 2.954 20 0 GFADRO O[C@H](COc1cc(Cl)ccc1Cl)CN1CC[NH+]([C@H]2CCSC2)CC1 ZINC000366092355 563799015 /nfs/dbraw/zinc/79/90/15/563799015.db2.gz DRPSKPYNJBWFDO-GJZGRUSLSA-N 1 0 391.364 2.856 20 0 GFADRO CSc1ccc(NC(=O)C(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1Cl ZINC000415855660 563799747 /nfs/dbraw/zinc/79/97/47/563799747.db2.gz OZYOOHCAZOTIJT-OLZOCXBDSA-N 1 0 381.929 2.849 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1Br ZINC000415882898 563800271 /nfs/dbraw/zinc/80/02/71/563800271.db2.gz XNIGCZGIMBQKBX-BFHYXJOUSA-N 1 0 394.313 2.509 20 0 GFADRO [NH3+]CC[C@H](NC(=O)N1CCO[C@H](c2ccc(F)cc2Cl)C1)C(F)(F)F ZINC000416027650 563803308 /nfs/dbraw/zinc/80/33/08/563803308.db2.gz JFULDGONCUJCIH-STQMWFEESA-N 1 0 383.773 2.842 20 0 GFADRO CC[NH+](CC)C[C@@H]1CCCC[C@H]1NS(=O)(=O)c1ccsc1C(=O)OC ZINC000443373186 563803295 /nfs/dbraw/zinc/80/32/95/563803295.db2.gz NPFSYYFAKVRZQX-UONOGXRCSA-N 1 0 388.555 2.714 20 0 GFADRO CN(C1C[C@H]2CC[C@@H](C1)[NH2+]2)S(=O)(=O)c1ccc(OCC(F)(F)F)cc1 ZINC000443466685 563805962 /nfs/dbraw/zinc/80/59/62/563805962.db2.gz JWEOSIXLOCRZOA-FUNVUKJBSA-N 1 0 378.416 2.531 20 0 GFADRO Cc1ccc(CCC(=O)N2C[C@@H](C)[N@@H+](CCO)C[C@H]2C)c(Br)c1 ZINC000416302672 563813851 /nfs/dbraw/zinc/81/38/51/563813851.db2.gz GIILVLVPNIPGLL-HUUCEWRRSA-N 1 0 383.330 2.604 20 0 GFADRO CC[N@@H+]1CCCC[C@H]1CNS(=O)(=O)c1cc(Cl)c(OC)cc1OC ZINC000416390603 563822004 /nfs/dbraw/zinc/82/20/04/563822004.db2.gz OSJBFFLXYRPGOP-LBPRGKRZSA-N 1 0 376.906 2.510 20 0 GFADRO CC[N@H+](CCNS(=O)(=O)c1cc(F)c(Br)cc1F)C(C)C ZINC000444174904 563823546 /nfs/dbraw/zinc/82/35/46/563823546.db2.gz IBOUPAIHRKHCDD-UHFFFAOYSA-N 1 0 385.274 2.736 20 0 GFADRO O=C(CC1([NH+]2CCOCC2)CCCC1)N[C@H](c1nccs1)C(F)(F)F ZINC000293874716 563827208 /nfs/dbraw/zinc/82/72/08/563827208.db2.gz IBCTZRSBRXIISE-CYBMUJFWSA-N 1 0 377.432 2.898 20 0 GFADRO Cc1cc(Br)c(S(=O)(=O)N2C[C@@H]([NH3+])Cc3ccccc32)s1 ZINC000416428889 563827983 /nfs/dbraw/zinc/82/79/83/563827983.db2.gz WMRZMCMOWPGRHC-NSHDSACASA-N 1 0 387.324 2.898 20 0 GFADRO C[C@@H](Oc1ccc(Br)cc1)C(=O)Nc1ccnn1CC[NH+](C)C ZINC000294112406 563831797 /nfs/dbraw/zinc/83/17/97/563831797.db2.gz PAYKKTZIMATLES-GFCCVEGCSA-N 1 0 381.274 2.613 20 0 GFADRO O=C(c1cn2ccc(Br)cc2n1)N1CCC([NH+]2CCCC2)CC1 ZINC000367132910 563832256 /nfs/dbraw/zinc/83/22/56/563832256.db2.gz HOCVVQPNJNMKAF-UHFFFAOYSA-N 1 0 377.286 2.797 20 0 GFADRO COC(=O)c1c(Cl)cccc1S(=O)(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000416467736 563833659 /nfs/dbraw/zinc/83/36/59/563833659.db2.gz CSIWBFVLSHOKHC-UHFFFAOYSA-N 1 0 388.917 2.527 20 0 GFADRO COc1cc(OC)c(S(=O)(=O)N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)cc1Cl ZINC000416470053 563833684 /nfs/dbraw/zinc/83/36/84/563833684.db2.gz FROLQSGTHPDJPE-QWHCGFSZSA-N 1 0 390.933 2.756 20 0 GFADRO CN(C)S(=O)(=O)CCN1CCC[C@H]1c1nc(-c2ccc(Cl)cc2)c[nH]1 ZINC000367155098 563834080 /nfs/dbraw/zinc/83/40/80/563834080.db2.gz AGZQNDQRHIEARI-INIZCTEOSA-N 1 0 382.917 2.758 20 0 GFADRO CC1(C)CCC[N@H+](CCNC(=O)CNC(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000444621851 563834552 /nfs/dbraw/zinc/83/45/52/563834552.db2.gz NHRNLQZNLRUNKB-UHFFFAOYSA-N 1 0 386.323 2.961 20 0 GFADRO Cc1cc(Br)ccc1C[N@H+](C)C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000444692056 563834848 /nfs/dbraw/zinc/83/48/48/563834848.db2.gz AUBKJMQQZIEKOR-CQSZACIVSA-N 1 0 389.359 2.861 20 0 GFADRO COc1cccc(C[NH2+]C[C@@H]2CCN(S(=O)(=O)c3cccs3)C2)c1F ZINC000367207471 563836257 /nfs/dbraw/zinc/83/62/57/563836257.db2.gz XXTYDXBJYGVRNU-ZDUSSCGKSA-N 1 0 384.498 2.696 20 0 GFADRO C[C@@H]1CN(Cc2ccc(I)cc2)CC[N@@H+]1CC(C)(C)O ZINC000444764575 563836692 /nfs/dbraw/zinc/83/66/92/563836692.db2.gz YZVYHWBUIGABLI-CYBMUJFWSA-N 1 0 388.293 2.568 20 0 GFADRO CC[N@H+](C)CCNC(=O)NCc1ccc(Cl)cc1I ZINC000444974681 563840555 /nfs/dbraw/zinc/84/05/55/563840555.db2.gz NCQFYXXUSWLCQU-UHFFFAOYSA-N 1 0 395.672 2.696 20 0 GFADRO O=S1(=O)CC[C@@H]([NH2+]C2CCN(c3ccnc4c(Cl)cccc34)CC2)C1 ZINC000367348480 563841742 /nfs/dbraw/zinc/84/17/42/563841742.db2.gz OZMAZMWHLNTYBV-CQSZACIVSA-N 1 0 379.913 2.634 20 0 GFADRO CC[C@@H]1Cc2c(Br)cccc2CN1C(=O)NCC[N@H+](C)CCOC ZINC000445028642 563841893 /nfs/dbraw/zinc/84/18/93/563841893.db2.gz DDYGBWGCGAVNCF-OAHLLOKOSA-N 1 0 398.345 2.874 20 0 GFADRO C[C@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+]CCCCCS(C)(=O)=O ZINC000367380922 563842741 /nfs/dbraw/zinc/84/27/41/563842741.db2.gz DXGXRYIJJLHILK-HOTGVXAUSA-N 1 0 376.563 2.827 20 0 GFADRO COc1cc(Br)c(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)cc1OC ZINC000294457561 563843036 /nfs/dbraw/zinc/84/30/36/563843036.db2.gz HYLPJUFYGMHJCK-LLVKDONJSA-N 1 0 383.286 2.680 20 0 GFADRO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@@H]1CCC(=O)N[C@@H]1C1CC1 ZINC000367439447 563845261 /nfs/dbraw/zinc/84/52/61/563845261.db2.gz UPPJQRAYOYKOAZ-PZDGAKPMSA-N 1 0 394.313 2.813 20 0 GFADRO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)c1cc[nH]c(=O)c1Br ZINC000445253134 563846301 /nfs/dbraw/zinc/84/63/01/563846301.db2.gz XIRSERJPMLQPLO-LBPRGKRZSA-N 1 0 380.242 2.710 20 0 GFADRO Cc1ccc(S(=O)(=O)NCC[C@@H]2CCC[N@@H+](C)C2)cc1Br ZINC000416548157 563846415 /nfs/dbraw/zinc/84/64/15/563846415.db2.gz ATSUAKRDSBONMO-ZDUSSCGKSA-N 1 0 375.332 2.768 20 0 GFADRO C[N@H+]1CC=C(CNC(=O)[C@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)CC1 ZINC000367593296 563849918 /nfs/dbraw/zinc/84/99/18/563849918.db2.gz JCEASZUJUOIUJC-CQSZACIVSA-N 1 0 382.291 2.724 20 0 GFADRO Cc1cc(Br)ccc1S(=O)(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000445698735 563851980 /nfs/dbraw/zinc/85/19/80/563851980.db2.gz CYDJXERCYFRBRU-UHFFFAOYSA-N 1 0 375.332 2.862 20 0 GFADRO CSc1nnc(CNC(=O)NCc2cccc(C[NH+]3CCCC3)c2)s1 ZINC000446097513 563858510 /nfs/dbraw/zinc/85/85/10/563858510.db2.gz ZEIYECUHHYPIFX-UHFFFAOYSA-N 1 0 377.539 2.855 20 0 GFADRO COc1ccc(Br)c(CC(=O)N2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000368023814 563862072 /nfs/dbraw/zinc/86/20/72/563862072.db2.gz UYXJSLFPEAABOF-SUMWQHHRSA-N 1 0 381.314 2.991 20 0 GFADRO O=C([C@@H]1CC[C@H]([NH2+]Cc2nc3ccccn3c2Br)C1)N1CCCC1 ZINC000368037618 563862852 /nfs/dbraw/zinc/86/28/52/563862852.db2.gz NDLHOHVESBLJAL-KGLIPLIRSA-N 1 0 391.313 2.978 20 0 GFADRO O=C(N[C@H]1CCSc2ccc(Cl)cc21)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000416923647 563863026 /nfs/dbraw/zinc/86/30/26/563863026.db2.gz WHOXSCTURZCWDD-ZBFHGGJFSA-N 1 0 380.945 2.566 20 0 GFADRO COc1ccc(C(=O)N2CCC([N@@H+]3CCC[C@H]3C)CC2)nc1Br ZINC000368079297 563863288 /nfs/dbraw/zinc/86/32/88/563863288.db2.gz PTWOXDQRBSXXAJ-GFCCVEGCSA-N 1 0 382.302 2.942 20 0 GFADRO CCOc1c(Br)cc(C(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1OC ZINC000368097175 563864071 /nfs/dbraw/zinc/86/40/71/563864071.db2.gz WSHFITFZNURSSH-WCQYABFASA-N 1 0 383.286 2.538 20 0 GFADRO Cc1cc(Br)cc(C)c1CNC(=O)NCC[N@@H+]1CCCOCC1 ZINC000446515918 563864902 /nfs/dbraw/zinc/86/49/02/563864902.db2.gz VNVFFVMGWJSBCM-UHFFFAOYSA-N 1 0 384.318 2.587 20 0 GFADRO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)Nc1ccc(Br)cn1 ZINC000446557660 563865588 /nfs/dbraw/zinc/86/55/88/563865588.db2.gz QSLNINJGQFEKLM-AWEZNQCLSA-N 1 0 397.317 2.553 20 0 GFADRO COCCn1cc2c(n1)[C@@H]([NH2+][C@H](C)Cn1cc(Br)cn1)CCC2 ZINC000368187201 563866118 /nfs/dbraw/zinc/86/61/18/563866118.db2.gz DLAWRZIZTMCVTI-DOMZBBRYSA-N 1 0 382.306 2.544 20 0 GFADRO C[NH+](C)C1(CNC(=O)NC[C@H](O)COc2cccc(Cl)c2Cl)CCC1 ZINC000446624892 563866497 /nfs/dbraw/zinc/86/64/97/563866497.db2.gz QHTKHOFAXQVUMQ-LBPRGKRZSA-N 1 0 390.311 2.517 20 0 GFADRO CSc1cc(NCC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)ccc1Cl ZINC000417070329 563867179 /nfs/dbraw/zinc/86/71/79/563867179.db2.gz HEJOQAFQACBWOQ-HNNXBMFYSA-N 1 0 385.961 2.947 20 0 GFADRO Cc1cc(C(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)nn1-c1ccc(Br)cc1 ZINC000368371059 563869591 /nfs/dbraw/zinc/86/95/91/563869591.db2.gz SRCYYNACYWNAQC-XJKSGUPXSA-N 1 0 389.297 2.767 20 0 GFADRO O=C(c1cc(=O)[nH]c2ccc(Br)cc21)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000368389873 563869809 /nfs/dbraw/zinc/86/98/09/563869809.db2.gz ZIVQKJXCRRYCEA-QMTHXVAHSA-N 1 0 376.254 2.527 20 0 GFADRO C[C@H](NC(=O)N[C@@H]1CC[C@H](C[NH3+])C1)c1cc2c(cc1Br)OCCO2 ZINC000417174060 563870430 /nfs/dbraw/zinc/87/04/30/563870430.db2.gz HYANQFMBTLMWAW-SDDRHHMPSA-N 1 0 398.301 2.708 20 0 GFADRO CC[NH2+][C@H](C)CNC(=O)N[C@@H](C)c1cc2c(cc1Br)OCCO2 ZINC000417188258 563871903 /nfs/dbraw/zinc/87/19/03/563871903.db2.gz XFYAKRFDHNEYCE-MNOVXSKESA-N 1 0 386.290 2.579 20 0 GFADRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)c3cc(F)ccc3I)C[C@@H]21 ZINC000368482423 563872283 /nfs/dbraw/zinc/87/22/83/563872283.db2.gz MODWDXAIBICPPX-DUFXMDAXSA-N 1 0 388.224 2.630 20 0 GFADRO COCC[NH2+]CCNC(=O)N[C@@H](c1ccc(Br)cc1)C1CCC1 ZINC000417198263 563872704 /nfs/dbraw/zinc/87/27/04/563872704.db2.gz QWYCTIRIRGEUKH-MRXNPFEDSA-N 1 0 384.318 2.826 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)NCCC(=O)Nc2ccc(Br)cc2)C1 ZINC000417225957 563874169 /nfs/dbraw/zinc/87/41/69/563874169.db2.gz OIWLYFUDRXMCJU-OLZOCXBDSA-N 1 0 397.317 2.547 20 0 GFADRO Cc1c(I)cccc1C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000368613311 563875518 /nfs/dbraw/zinc/87/55/18/563875518.db2.gz MVCKWMRXZWNSSM-LNSITVRQSA-N 1 0 384.261 2.799 20 0 GFADRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NC[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000417260927 563875620 /nfs/dbraw/zinc/87/56/20/563875620.db2.gz JYECHLROHLDLMH-CKEIUWERSA-N 1 0 395.345 2.573 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)NCCc2cc(Cl)cc(Cl)c2)CC12CCOCC2 ZINC000417323843 563878025 /nfs/dbraw/zinc/87/80/25/563878025.db2.gz PHFALCGOMIRNJQ-AWEZNQCLSA-N 1 0 386.323 2.933 20 0 GFADRO COc1ccc(CC[NH2+][C@@H](C)[C@@H]2C[C@H]2c2cccs2)cc1S(N)(=O)=O ZINC000417307753 563878201 /nfs/dbraw/zinc/87/82/01/563878201.db2.gz GPYFGNCAMAGNAD-AEGPPILISA-N 1 0 380.535 2.728 20 0 GFADRO C[C@@H]1CN(C(=O)NCc2cc(Br)ccc2OC(F)F)[C@H](C)C[NH2+]1 ZINC000417407427 563879211 /nfs/dbraw/zinc/87/92/11/563879211.db2.gz MXOHOVWDUUQGQP-NXEZZACHSA-N 1 0 392.244 2.942 20 0 GFADRO CN(C(=O)c1cncc(Br)c1)C1CC[NH+](Cc2ccncc2)CC1 ZINC000368817802 563879427 /nfs/dbraw/zinc/87/94/27/563879427.db2.gz MVBFDYAMEYYLNH-UHFFFAOYSA-N 1 0 389.297 2.976 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000417489479 563880986 /nfs/dbraw/zinc/88/09/86/563880986.db2.gz QHJUJENKFCVKFS-GXTWGEPZSA-N 1 0 397.317 2.526 20 0 GFADRO CN(C(=O)c1ccc(Br)cn1)C1CC[NH+](Cc2ccncc2)CC1 ZINC000368926040 563882194 /nfs/dbraw/zinc/88/21/94/563882194.db2.gz MLIGZFYVMZGKKW-UHFFFAOYSA-N 1 0 389.297 2.976 20 0 GFADRO C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+][C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000447576787 563882944 /nfs/dbraw/zinc/88/29/44/563882944.db2.gz CHQNMWNMHCQXRD-JLZZUVOBSA-N 1 0 378.314 2.627 20 0 GFADRO Cc1csc(NC(=O)C[NH2+][C@@H]2CCN(Cc3cnc(C)s3)C[C@@H]2C)n1 ZINC000368963289 563882896 /nfs/dbraw/zinc/88/28/96/563882896.db2.gz AKPRAAGGGVNKDR-XHDPSFHLSA-N 1 0 379.555 2.655 20 0 GFADRO C[C@H](CO)[N@@H+]1CCCN(C(=O)c2cc(Cl)ccc2Br)CC1 ZINC000368950334 563883066 /nfs/dbraw/zinc/88/30/66/563883066.db2.gz MGNVGVQSBLPSSC-LLVKDONJSA-N 1 0 375.694 2.631 20 0 GFADRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)N[C@@H]1CCN(c2ccccc2Br)C1 ZINC000417599439 563885671 /nfs/dbraw/zinc/88/56/71/563885671.db2.gz HYALUHCPNPZBTR-LZWOXQAQSA-N 1 0 395.345 2.845 20 0 GFADRO CN(CC[C@H]1CCCC[N@@H+]1C)S(=O)(=O)c1ccc(OC(F)F)c(F)c1 ZINC000447870099 563889056 /nfs/dbraw/zinc/88/90/56/563889056.db2.gz WZFRNRFMWSWKBE-GFCCVEGCSA-N 1 0 380.432 2.922 20 0 GFADRO C[C@@H]1CCC[N@@H+]1C1CCN(S(=O)(=O)c2c(F)c(F)cc(F)c2F)CC1 ZINC000369224289 563889974 /nfs/dbraw/zinc/88/99/74/563889974.db2.gz JKZBTRSBZRWYJH-SNVBAGLBSA-N 1 0 380.407 2.880 20 0 GFADRO C[C@@H](NC(=O)NCC(C)(C)[NH3+])c1nc(-c2ccc(Br)cc2)no1 ZINC000417880333 563890278 /nfs/dbraw/zinc/89/02/78/563890278.db2.gz BVNGYHCTPNOCSY-SECBINFHSA-N 1 0 382.262 2.597 20 0 GFADRO CCn1nncc1C[NH2+]CC1(c2ccc(Br)cc2)CCOCC1 ZINC000417882937 563890350 /nfs/dbraw/zinc/89/03/50/563890350.db2.gz GRQVJMJTPRQXSP-UHFFFAOYSA-N 1 0 379.302 2.899 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)CCC[NH2+][C@@H](CO)[C@H]1CCCO1 ZINC000447917888 563890464 /nfs/dbraw/zinc/89/04/64/563890464.db2.gz YSLHYQXTCYJNBR-JKSUJKDBSA-N 1 0 399.329 2.914 20 0 GFADRO C[C@H](C[NH3+])N(C)C(=O)N[C@H](C)c1nc(-c2ccc(Br)cc2)no1 ZINC000417882314 563890493 /nfs/dbraw/zinc/89/04/93/563890493.db2.gz DQLWISNIEIEATL-NXEZZACHSA-N 1 0 382.262 2.549 20 0 GFADRO C[C@@H](NC(=O)NC(C)(C)C[NH3+])c1nc(-c2ccc(Br)cc2)no1 ZINC000417901047 563891604 /nfs/dbraw/zinc/89/16/04/563891604.db2.gz VQVDNBUKXVUMNP-SECBINFHSA-N 1 0 382.262 2.597 20 0 GFADRO C[C@H](Cc1ccc(F)c(Br)c1)NC(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000417905287 563891682 /nfs/dbraw/zinc/89/16/82/563891682.db2.gz XRFXRRPSUBYCFR-NOZJJQNGSA-N 1 0 394.235 2.816 20 0 GFADRO C[C@H](NC(=O)N1CC[C@H](C[NH3+])C1)c1nc(-c2ccc(Br)cc2)no1 ZINC000417903068 563891687 /nfs/dbraw/zinc/89/16/87/563891687.db2.gz YUEPBCJMXKHUQM-WDEREUQCSA-N 1 0 394.273 2.550 20 0 GFADRO [NH3+]C[C@H]1CCN(C(=O)NCCCOc2ncc(C(F)(F)F)cc2Cl)C1 ZINC000417968734 563892712 /nfs/dbraw/zinc/89/27/12/563892712.db2.gz YFYDUCFTMQEAHU-SNVBAGLBSA-N 1 0 380.798 2.513 20 0 GFADRO C[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C1 ZINC000369339237 563892914 /nfs/dbraw/zinc/89/29/14/563892914.db2.gz VIBOETTYIZHLEO-GXTWGEPZSA-N 1 0 384.307 2.756 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)N[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)CC[NH2+]1 ZINC000417977486 563893344 /nfs/dbraw/zinc/89/33/44/563893344.db2.gz CBWJEQBHQYJNEU-HFAKWTLXSA-N 1 0 385.295 2.538 20 0 GFADRO C[NH2+]C[C@@H]1CCCN1C(=O)N[C@H](C)[C@@H](OC)c1ccc(Br)cc1 ZINC000417980173 563893522 /nfs/dbraw/zinc/89/35/22/563893522.db2.gz IFHFGZLVTKJXAS-UHOFOFEASA-N 1 0 384.318 2.919 20 0 GFADRO [NH3+]CCN(CCO)C(=O)N[C@@H](c1ccc(Cl)c(C(F)(F)F)c1)C1CC1 ZINC000417977733 563893564 /nfs/dbraw/zinc/89/35/64/563893564.db2.gz GHJXNGBQJVDBOL-CQSZACIVSA-N 1 0 379.810 2.773 20 0 GFADRO C[NH2+][C@H]1CCN(C(=O)NC2CCN(Cc3cc(Cl)cc(Cl)c3)CC2)C1 ZINC000417999112 563894281 /nfs/dbraw/zinc/89/42/81/563894281.db2.gz UMJFPHLAHDGTQZ-KRWDZBQOSA-N 1 0 385.339 2.961 20 0 GFADRO CN(CC[NH+](C)C)C(=O)Nc1cc(Br)cc(C(=O)N2CCCC2)c1 ZINC000448126765 563894289 /nfs/dbraw/zinc/89/42/89/563894289.db2.gz TWEWESRJWGGOEW-UHFFFAOYSA-N 1 0 397.317 2.710 20 0 GFADRO C[NH2+]C[C@@H]1CCCN(C(=O)NCc2cc(Br)cc3c2OCC3)C1 ZINC000418009884 563894984 /nfs/dbraw/zinc/89/49/84/563894984.db2.gz ITTLVISTSYYQSB-LBPRGKRZSA-N 1 0 382.302 2.525 20 0 GFADRO CN(C)C(=O)c1ccccc1C[NH2+]CCCCn1cc(Br)cn1 ZINC000418022139 563895423 /nfs/dbraw/zinc/89/54/23/563895423.db2.gz AAGNEQMOZNCWBA-UHFFFAOYSA-N 1 0 379.302 2.917 20 0 GFADRO CC(=O)N1CCC[C@H](C[NH2+]Cc2ccc(F)cc2I)C1 ZINC000418023948 563895864 /nfs/dbraw/zinc/89/58/64/563895864.db2.gz CSHOBPFBSIADOW-GFCCVEGCSA-N 1 0 390.240 2.778 20 0 GFADRO Cc1c(Br)cccc1NC(=O)C(=O)NC[C@H]1[N@H+](C)CCCC1(C)C ZINC000448317811 563896080 /nfs/dbraw/zinc/89/60/80/563896080.db2.gz BJUVXOYVKLABLT-OAHLLOKOSA-N 1 0 396.329 2.933 20 0 GFADRO CC(C)(C)[C@H](O)C[C@H](CO)[NH2+]Cc1ccc(F)cc1I ZINC000418040328 563896336 /nfs/dbraw/zinc/89/63/36/563896336.db2.gz IUQBEOVWDBMJRI-TZMCWYRMSA-N 1 0 395.256 2.678 20 0 GFADRO [NH3+][C@@H]1CCCN(C(=O)NCc2cc(Br)ccc2Br)C1 ZINC000418045495 563897076 /nfs/dbraw/zinc/89/70/76/563897076.db2.gz NTWFEUWXUOFYLL-LLVKDONJSA-N 1 0 391.107 2.844 20 0 GFADRO CCn1c(CNC(=O)N2CCC[C@H]2C[NH2+]C)nc2cc(Br)ccc21 ZINC000418067357 563897368 /nfs/dbraw/zinc/89/73/68/563897368.db2.gz OVYHUOCWBLBDAM-ZDUSSCGKSA-N 1 0 394.317 2.712 20 0 GFADRO CC1(NC(=O)N[C@@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)CC[NH2+]CC1 ZINC000418079487 563897725 /nfs/dbraw/zinc/89/77/25/563897725.db2.gz KUQGQDLZXRYPBJ-CYBMUJFWSA-N 1 0 385.295 2.540 20 0 GFADRO O=C(NC1CC[NH2+]CC1)N[C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O ZINC000418077454 563897884 /nfs/dbraw/zinc/89/78/84/563897884.db2.gz HUGZSAKUDXIURR-CQSZACIVSA-N 1 0 385.295 2.540 20 0 GFADRO O=C(N[C@@H]1CSc2ccc(Br)cc21)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000418090411 563898448 /nfs/dbraw/zinc/89/84/48/563898448.db2.gz CNKPROWYDAIKBC-UHIISALHSA-N 1 0 382.327 2.847 20 0 GFADRO C[C@@H]1CN(C(=O)NCc2cnn(-c3ccc(Br)cc3)c2)CC[C@@H]1[NH3+] ZINC000418090244 563898574 /nfs/dbraw/zinc/89/85/74/563898574.db2.gz NLKJZLWGVQYUOX-WBMJQRKESA-N 1 0 392.301 2.514 20 0 GFADRO Cc1ccc(CC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)c(Br)c1 ZINC000448602113 563898741 /nfs/dbraw/zinc/89/87/41/563898741.db2.gz ANMWUJYKQSCTTM-MRXNPFEDSA-N 1 0 383.330 2.773 20 0 GFADRO CCCN(C(=O)N[C@H]1CCN(c2cccc(Br)c2)C1)[C@@H]1CC[NH2+]C1 ZINC000418098676 563898935 /nfs/dbraw/zinc/89/89/35/563898935.db2.gz MHKVHCKWCNYCRB-DOTOQJQBSA-N 1 0 395.345 2.811 20 0 GFADRO O=C(N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000418122668 563899387 /nfs/dbraw/zinc/89/93/87/563899387.db2.gz XXIFDQARMVLURT-RSUWNVLCSA-N 1 0 382.277 2.695 20 0 GFADRO O=C(NCCCCn1cc(Br)cn1)NCc1ccc2c(c1)C[NH2+]C2 ZINC000418113109 563899466 /nfs/dbraw/zinc/89/94/66/563899466.db2.gz ZPPXBTKUVSURSN-UHFFFAOYSA-N 1 0 392.301 2.528 20 0 GFADRO O=C(N[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000418147549 563899892 /nfs/dbraw/zinc/89/98/92/563899892.db2.gz RCQLEVOEULIORL-GRDNDAEWSA-N 1 0 383.323 2.538 20 0 GFADRO CCCC[C@H](C[NH3+])NC(=O)NCc1ccc(I)c(C)c1 ZINC000418144510 563900068 /nfs/dbraw/zinc/90/00/68/563900068.db2.gz UHMWBVKHRHLJHB-CYBMUJFWSA-N 1 0 389.281 2.916 20 0 GFADRO O=C(N[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000418145363 563900082 /nfs/dbraw/zinc/90/00/82/563900082.db2.gz MTIYJHIWVPVDJA-GRDNDAEWSA-N 1 0 383.323 2.538 20 0 GFADRO C[NH+]1CCC(CCNC(=O)c2ccc(I)cc2F)CC1 ZINC000448847866 563902154 /nfs/dbraw/zinc/90/21/54/563902154.db2.gz WINRFNOYHWQXFM-UHFFFAOYSA-N 1 0 390.240 2.892 20 0 GFADRO COc1nccc(C[NH2+]C[C@H]2CCN(c3cccc(Br)c3)C2)n1 ZINC000449100065 563906797 /nfs/dbraw/zinc/90/67/97/563906797.db2.gz VTWKJQFPQDDHEP-CYBMUJFWSA-N 1 0 377.286 2.864 20 0 GFADRO COC(=O)c1nn(-c2ccc(Cl)c(Cl)c2)cc1C[NH2+]CCN1CCC1 ZINC000449184074 563907681 /nfs/dbraw/zinc/90/76/81/563907681.db2.gz FIZMPLFAWYKOAB-UHFFFAOYSA-N 1 0 383.279 2.761 20 0 GFADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+][C@H]1CC[C@H](CO)CC1 ZINC000449185178 563907941 /nfs/dbraw/zinc/90/79/41/563907941.db2.gz JBLAYMNHCMFCCI-XJKCOSOUSA-N 1 0 399.329 2.603 20 0 GFADRO O=S(=O)(C[C@H](O)C[NH2+]C1CCC(OC2CCCC2)CC1)c1cccs1 ZINC000449195753 563907964 /nfs/dbraw/zinc/90/79/64/563907964.db2.gz VRBWRLYBGNIATR-ISXOHVOVSA-N 1 0 387.567 2.743 20 0 GFADRO C[N@H+](CCOCC(F)(F)C(F)F)C[C@@H]1C[C@H](F)CN1Cc1nccs1 ZINC000470813779 564177880 /nfs/dbraw/zinc/17/78/80/564177880.db2.gz RJVLDQOFJXQSSR-RYUDHWBXSA-N 1 0 387.418 2.904 20 0 GFADRO CS(=O)(=O)N[C@H]1CCCC[C@H]1[NH2+]Cc1cnc(-c2ccccc2F)s1 ZINC000449253487 564178060 /nfs/dbraw/zinc/17/80/60/564178060.db2.gz VPTPCGAPRHJNOU-CVEARBPZSA-N 1 0 383.514 2.899 20 0 GFADRO CC(C)(C)NS(=O)(=O)CC[NH2+][C@@H]1CCc2ccc(OC(F)(F)F)cc21 ZINC000537939014 564178291 /nfs/dbraw/zinc/17/82/91/564178291.db2.gz ZPTQPRLZFSUWLO-CQSZACIVSA-N 1 0 380.432 2.880 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+][C@@H]1C[C@@H]2OCCC[C@@H]12 ZINC000449273490 564178938 /nfs/dbraw/zinc/17/89/38/564178938.db2.gz YWKCRNCRSPTDCP-RMIITELYSA-N 1 0 397.313 2.620 20 0 GFADRO O=C([C@H](c1ccc(Br)cc1)N1CCCC1)N1CC[NH+]2CCC1CC2 ZINC000470847173 564179147 /nfs/dbraw/zinc/17/91/47/564179147.db2.gz KYOKXGBXCRYSSS-SFHVURJKSA-N 1 0 392.341 2.893 20 0 GFADRO COc1cc(Br)c(C[NH2+]C[C@H](O)Cc2cccc(F)c2)cc1O ZINC000449362843 564181709 /nfs/dbraw/zinc/18/17/09/564181709.db2.gz NRMMTZVXPGTDRM-CQSZACIVSA-N 1 0 384.245 2.996 20 0 GFADRO O=C(Cc1csc(-c2cc(Br)cs2)n1)NCC[NH+]1CCC1 ZINC000505384609 564181819 /nfs/dbraw/zinc/18/18/19/564181819.db2.gz OMHMFYIPQBTRBC-UHFFFAOYSA-N 1 0 386.340 2.999 20 0 GFADRO C[N@H+](Cc1ccc(OC(F)F)c(Br)c1)[C@H]1CCN2CCO[C@H]1C2 ZINC000449359566 564181861 /nfs/dbraw/zinc/18/18/61/564181861.db2.gz FZIZXIGHXRUMDV-ZFWWWQNUSA-N 1 0 391.256 2.955 20 0 GFADRO COC[C@@](C)(O)CC[NH2+][C@@H](C)CCc1ccc(I)cc1 ZINC000449386847 564182974 /nfs/dbraw/zinc/18/29/74/564182974.db2.gz VMKBGCPXOCPOPH-BBRMVZONSA-N 1 0 391.293 2.989 20 0 GFADRO Cc1nc(-c2ccccc2F)sc1[C@@H](C)[NH2+][C@@H]1CCN(S(C)(=O)=O)C1 ZINC000563263442 564183127 /nfs/dbraw/zinc/18/31/27/564183127.db2.gz GIZWOZKOQZACAB-DGCLKSJQSA-N 1 0 383.514 2.942 20 0 GFADRO Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)[NH2+][C@@H]1CCN(S(C)(=O)=O)C1 ZINC000563262995 564183309 /nfs/dbraw/zinc/18/33/09/564183309.db2.gz CFHPFIAJCMVYAG-IAQYHMDHSA-N 1 0 383.514 2.942 20 0 GFADRO O=c1ccc(Br)cn1CC[NH2+][C@@H]1CCCN(Cc2ccccc2)C1 ZINC000449381725 564183337 /nfs/dbraw/zinc/18/33/37/564183337.db2.gz ZJPQWNOEAKVOIG-GOSISDBHSA-N 1 0 390.325 2.865 20 0 GFADRO COCC[NH2+]C1CCN(S(=O)(=O)c2oc3ccc(Cl)cc3c2C)CC1 ZINC000563275296 564183615 /nfs/dbraw/zinc/18/36/15/564183615.db2.gz LBMMWQNUXBNDJJ-UHFFFAOYSA-N 1 0 386.901 2.784 20 0 GFADRO C[NH+](C)CCN(C(=O)CNC(=O)c1sc2ccccc2c1Cl)C1CC1 ZINC000505635649 564186677 /nfs/dbraw/zinc/18/66/77/564186677.db2.gz ORSLYAUYNBMBCH-UHFFFAOYSA-N 1 0 379.913 2.837 20 0 GFADRO CCOc1cc(C[NH2+]C[C@@H]2CCOC[C@H]2OC)cc(Br)c1OC ZINC000449455187 564187027 /nfs/dbraw/zinc/18/70/27/564187027.db2.gz LCXHJAFKWKQCRC-XJKSGUPXSA-N 1 0 388.302 2.998 20 0 GFADRO CCC1(C[NH2+]Cc2cc(I)c(OC)c(OC)c2)COC1 ZINC000449598590 564190982 /nfs/dbraw/zinc/19/09/82/564190982.db2.gz IYIKOUQJMFDKIT-UHFFFAOYSA-N 1 0 391.249 2.825 20 0 GFADRO Cc1ccc(S(=O)(=O)NCC[NH2+][C@@H](C)c2cncc(Br)c2)cc1 ZINC000563443246 564191153 /nfs/dbraw/zinc/19/11/53/564191153.db2.gz QXMWJJLDYFGLFU-ZDUSSCGKSA-N 1 0 398.326 2.782 20 0 GFADRO O=C(Cc1cccc(I)c1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000471281741 564191225 /nfs/dbraw/zinc/19/12/25/564191225.db2.gz GVQHDBNLNLXRMD-MRXNPFEDSA-N 1 0 398.288 2.921 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)Cn2cc(Br)cn2)C1 ZINC000505925664 564192103 /nfs/dbraw/zinc/19/21/03/564192103.db2.gz WCOFFADBHGYRFI-CABCVRRESA-N 1 0 383.334 2.759 20 0 GFADRO Cc1ccc(C[C@H](CO)C[NH2+]Cc2ccc(C(N)=O)cc2)cc1Br ZINC000449601370 564192074 /nfs/dbraw/zinc/19/20/74/564192074.db2.gz RGYSKLJHNMCJBF-INIZCTEOSA-N 1 0 391.309 2.797 20 0 GFADRO COc1ccc([C@H](C)C[NH2+]Cc2nn(C)cc2I)cc1 ZINC000449604073 564192172 /nfs/dbraw/zinc/19/21/72/564192172.db2.gz JDCWCQSEYJKWIV-LLVKDONJSA-N 1 0 385.249 2.927 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)Nc1ccnn1-c1ccc(Br)cn1 ZINC000563492122 564193111 /nfs/dbraw/zinc/19/31/11/564193111.db2.gz RQDFDLZJCHEALN-YPMHNXCESA-N 1 0 393.289 2.763 20 0 GFADRO COc1ccc(Br)cc1C[C@H](CO)C[NH2+]Cc1c(C)nn(C)c1C ZINC000449677597 564194735 /nfs/dbraw/zinc/19/47/35/564194735.db2.gz BUPPRSUANFNKOO-AWEZNQCLSA-N 1 0 396.329 2.749 20 0 GFADRO C[C@@H]1OCC[C@H]1[N@H+](CCO)Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000449677314 564194890 /nfs/dbraw/zinc/19/48/90/564194890.db2.gz MHPSPTXZSKAXGY-SUMWQHHRSA-N 1 0 380.286 2.607 20 0 GFADRO Cc1c(Br)cccc1C[C@H](CO)C[NH2+]Cc1cn(C(C)C)nn1 ZINC000449680379 564195600 /nfs/dbraw/zinc/19/56/00/564195600.db2.gz GIHSJWZIBQEIHN-AWEZNQCLSA-N 1 0 381.318 2.871 20 0 GFADRO OC[C@H](C[NH2+]Cc1c[nH]c2nccnc12)Cc1ccc(F)c(Br)c1 ZINC000449682163 564195946 /nfs/dbraw/zinc/19/59/46/564195946.db2.gz LHJGLTVREQNPPT-LBPRGKRZSA-N 1 0 393.260 2.752 20 0 GFADRO COc1ccc(Br)cc1C[C@H](CO)C[NH2+]Cc1ccncc1F ZINC000449683663 564196095 /nfs/dbraw/zinc/19/60/95/564196095.db2.gz QGEYXVNPJMNFJE-LBPRGKRZSA-N 1 0 383.261 2.933 20 0 GFADRO COc1ccc(Br)cc1C[C@H](CO)C[NH2+]Cc1cn(C(C)C)nn1 ZINC000449678523 564196171 /nfs/dbraw/zinc/19/61/71/564196171.db2.gz FNRIDNMUATUQIP-ZDUSSCGKSA-N 1 0 397.317 2.571 20 0 GFADRO CC[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000506111372 564196251 /nfs/dbraw/zinc/19/62/51/564196251.db2.gz DAOABEMAHCPKML-RHSMWYFYSA-N 1 0 376.328 2.926 20 0 GFADRO Cc1c(Br)cccc1C[C@@H](CO)C[NH2+]Cc1cnc2cnccn12 ZINC000449684751 564196771 /nfs/dbraw/zinc/19/67/71/564196771.db2.gz QAJUOUQYBDYWSX-CQSZACIVSA-N 1 0 389.297 2.741 20 0 GFADRO Cc1ccc(O)c(C[NH2+]C[C@@H](CO)Cc2ccc(F)c(Br)c2)n1 ZINC000449686294 564197258 /nfs/dbraw/zinc/19/72/58/564197258.db2.gz YBVLROQPJXVCMX-ZDUSSCGKSA-N 1 0 383.261 2.938 20 0 GFADRO COC(=O)c1ccc(S(=O)(=O)NCC2([NH+](C)C)CCCCC2)c(Cl)c1 ZINC000506192344 564198050 /nfs/dbraw/zinc/19/80/50/564198050.db2.gz PGGXUNVRXYIGEA-UHFFFAOYSA-N 1 0 388.917 2.669 20 0 GFADRO C[NH2+]C[C@H]1CCCN(C(=O)N[C@@H](c2cncc(Br)c2)C2CC2)C1 ZINC000563590560 564198372 /nfs/dbraw/zinc/19/83/72/564198372.db2.gz BMLRBHHTMYYQAT-MLGOLLRUSA-N 1 0 381.318 2.936 20 0 GFADRO Cc1ccc(O[C@H](C)C(=O)N[C@H](CC[NH3+])C(F)(F)F)c(Br)c1 ZINC000449724176 564198886 /nfs/dbraw/zinc/19/88/86/564198886.db2.gz SOYVZVXARGEIMP-BXKDBHETSA-N 1 0 383.208 2.921 20 0 GFADRO [NH3+]CC[C@H](NC(=O)c1cc(=O)[nH]c2c(Br)cccc12)C(F)(F)F ZINC000449730527 564199310 /nfs/dbraw/zinc/19/93/10/564199310.db2.gz RBFKZFWFVXJIGU-JTQLQIEISA-N 1 0 392.175 2.712 20 0 GFADRO COc1c(Br)c(C)sc1C(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000449729967 564199331 /nfs/dbraw/zinc/19/93/31/564199331.db2.gz PBYNEQNDOLUTGT-LURJTMIESA-N 1 0 375.210 2.837 20 0 GFADRO COCC[C@H](Cc1cccc(Br)c1)C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000449727758 564199511 /nfs/dbraw/zinc/19/95/11/564199511.db2.gz RMEKDHPJXYAJNK-BFYDXBDKSA-N 1 0 383.330 2.888 20 0 GFADRO O=C(COc1ccc2cc(Br)ccc2c1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000449740039 564199816 /nfs/dbraw/zinc/19/98/16/564199816.db2.gz DGWLHCXTAYKQPK-PBHICJAKSA-N 1 0 375.266 2.801 20 0 GFADRO C[NH+](C)CCOCCNC(=O)N1CCC[C@@H]1c1cccc(Br)c1 ZINC000471637929 564200117 /nfs/dbraw/zinc/20/01/17/564200117.db2.gz PQRULPMXBXDDIX-MRXNPFEDSA-N 1 0 384.318 2.874 20 0 GFADRO Cc1cc(Cl)cc(C[N@H+](C)CCOc2ccc(S(N)(=O)=O)cc2F)c1 ZINC000449756430 564200901 /nfs/dbraw/zinc/20/09/01/564200901.db2.gz QQCJCNXMJQISBI-UHFFFAOYSA-N 1 0 386.876 2.946 20 0 GFADRO C[C@H]1c2c(Cl)cc(Cl)cc2CCN1C(=O)C(=O)NCC1CC[NH2+]CC1 ZINC000563660784 564201013 /nfs/dbraw/zinc/20/10/13/564201013.db2.gz PYBRIWSFGDHXNM-NSHDSACASA-N 1 0 384.307 2.555 20 0 GFADRO C[C@H]1C[N@H+](CCO)CCN1Cc1ccc(OC(F)F)c(Br)c1 ZINC000449789206 564201962 /nfs/dbraw/zinc/20/19/62/564201962.db2.gz ZEVCTFMPPFIYOZ-NSHDSACASA-N 1 0 379.245 2.549 20 0 GFADRO O=C([C@@H]1Cc2cc(Br)ccc2O1)N1CC[NH+](C2CCCC2)CC1 ZINC000471698032 564202442 /nfs/dbraw/zinc/20/24/42/564202442.db2.gz NVFDICIYCRKLIB-KRWDZBQOSA-N 1 0 379.298 2.839 20 0 GFADRO O=C([C@H]1Cc2cc(Br)ccc2O1)N1CC[NH+](C2CCCC2)CC1 ZINC000471698033 564202473 /nfs/dbraw/zinc/20/24/73/564202473.db2.gz NVFDICIYCRKLIB-QGZVFWFLSA-N 1 0 379.298 2.839 20 0 GFADRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1S(=O)(=O)Cc1cccc(Br)c1 ZINC000563722864 564203827 /nfs/dbraw/zinc/20/38/27/564203827.db2.gz IPQQEBTWQGGNPH-XJKSGUPXSA-N 1 0 387.343 2.838 20 0 GFADRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1S(=O)(=O)Cc1cccc(Br)c1 ZINC000563722846 564203965 /nfs/dbraw/zinc/20/39/65/564203965.db2.gz IPQQEBTWQGGNPH-BBRMVZONSA-N 1 0 387.343 2.838 20 0 GFADRO COC(=O)C(C)(C)CC[NH2+][C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000506649298 564208128 /nfs/dbraw/zinc/20/81/28/564208128.db2.gz SCJYIIMCLZXDPJ-AWEZNQCLSA-N 1 0 383.286 2.733 20 0 GFADRO COCCc1nc(C)c([C@H](C)[NH2+]Cc2cccc(NS(C)(=O)=O)c2)s1 ZINC000539074804 564208881 /nfs/dbraw/zinc/20/88/81/564208881.db2.gz DZMLUCSEBAZULV-LBPRGKRZSA-N 1 0 383.539 2.863 20 0 GFADRO Cc1nc(NC(=O)N2CCC([N@H+](C)CCCO)CC2)sc1C(F)(F)F ZINC000563861455 564210104 /nfs/dbraw/zinc/21/01/04/564210104.db2.gz IBIQEKUAIRBCJM-UHFFFAOYSA-N 1 0 380.436 2.781 20 0 GFADRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1cn2ccc(Br)cc2n1 ZINC000506737052 564211149 /nfs/dbraw/zinc/21/11/49/564211149.db2.gz WHPQFJZORZYVLJ-OLZOCXBDSA-N 1 0 379.302 2.947 20 0 GFADRO CO[C@@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)NCC[N@H+](C)C1CC1 ZINC000539143885 564211280 /nfs/dbraw/zinc/21/12/80/564211280.db2.gz VEUQBSJALPIOFV-MLGOLLRUSA-N 1 0 384.318 2.919 20 0 GFADRO CCN(CCC[NH+](C)C)C(=O)C(=O)N[C@@H](C)Cc1ccc(Cl)cc1Cl ZINC000563904817 564211402 /nfs/dbraw/zinc/21/14/02/564211402.db2.gz BSVVZKADQGQVGK-ZDUSSCGKSA-N 1 0 388.339 2.841 20 0 GFADRO CC[NH+](CC)CCN(CCOC)S(=O)(=O)c1cc(C)c(F)cc1Cl ZINC000472104800 564212470 /nfs/dbraw/zinc/21/24/70/564212470.db2.gz VUFYLIVZAWPBKX-UHFFFAOYSA-N 1 0 380.913 2.766 20 0 GFADRO C[C@@H]([NH2+]C[C@H](c1ccc(Cl)cc1)N(C)C)c1cccc(S(N)(=O)=O)c1 ZINC000539214925 564213034 /nfs/dbraw/zinc/21/30/34/564213034.db2.gz CYUJPDVKVQMJJZ-FZKQIMNGSA-N 1 0 381.929 2.941 20 0 GFADRO CN(C)C(=O)[C@H]1CCCN1CCC[NH2+][C@@H]1CCc2c1cccc2Br ZINC000539202400 564213150 /nfs/dbraw/zinc/21/31/50/564213150.db2.gz HVDWVQHYAAFEDF-QZTJIDSGSA-N 1 0 394.357 2.969 20 0 GFADRO O=C(Nc1cnn(-c2ncc(Cl)cc2Cl)c1)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000563943815 564213517 /nfs/dbraw/zinc/21/35/17/564213517.db2.gz JFNJVQSETMCVFQ-QWRGUYRKSA-N 1 0 381.267 2.647 20 0 GFADRO O=C(Nc1cnn(-c2ncc(Cl)cc2Cl)c1)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000563943816 564213667 /nfs/dbraw/zinc/21/36/67/564213667.db2.gz JFNJVQSETMCVFQ-WDEREUQCSA-N 1 0 381.267 2.647 20 0 GFADRO COc1ccc([C@H](C)[NH2+]CCn2nc3ccccn3c2=O)cc1Br ZINC000539265277 564214765 /nfs/dbraw/zinc/21/47/65/564214765.db2.gz GLLBHIYBNCLBPE-LBPRGKRZSA-N 1 0 391.269 2.618 20 0 GFADRO CCN(C[C@H]1CCC[N@@H+]1CC)C(=O)c1cc(I)c[nH]1 ZINC000563990814 564215728 /nfs/dbraw/zinc/21/57/28/564215728.db2.gz BFATXOUQEYCXPZ-GFCCVEGCSA-N 1 0 375.254 2.566 20 0 GFADRO Cc1cc(Br)cc2c1CN(C[C@@H](O)COC1CCOCC1)CC2 ZINC000539380097 564217523 /nfs/dbraw/zinc/21/75/23/564217523.db2.gz GBLUIVWZYCAQQU-MRXNPFEDSA-N 1 0 384.314 2.672 20 0 GFADRO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)[C@@H]2Cc3cc(Br)ccc3O2)C1 ZINC000472257057 564218239 /nfs/dbraw/zinc/21/82/39/564218239.db2.gz LXXDSLCAFBVXLX-KDOFPFPSSA-N 1 0 393.325 2.943 20 0 GFADRO Cc1cccc(S(=O)(=O)N(CC[NH+](C)C)CC(=O)OC(C)(C)C)c1Cl ZINC000539420246 564219421 /nfs/dbraw/zinc/21/94/21/564219421.db2.gz QUUCFUSWYUUVTK-UHFFFAOYSA-N 1 0 390.933 2.542 20 0 GFADRO C[C@@H](Cc1ccc(F)cc1Br)[NH2+][C@H]1CCCN(S(C)(=O)=O)C1 ZINC000564108039 564220316 /nfs/dbraw/zinc/22/03/16/564220316.db2.gz JRPHBNPPOMUNMN-FZMZJTMJSA-N 1 0 393.322 2.533 20 0 GFADRO Cc1cc(Br)cc(C)c1S(=O)(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000472338636 564221067 /nfs/dbraw/zinc/22/10/67/564221067.db2.gz ASJNRWGQCPZSSN-GXTWGEPZSA-N 1 0 387.343 2.969 20 0 GFADRO CSc1ccc([C@@H](C)[NH2+]C[C@H]2CCCCN2S(=O)(=O)N(C)C)cc1F ZINC000564152230 564221552 /nfs/dbraw/zinc/22/15/52/564221552.db2.gz MFQZDKSWNGYWEF-UKRRQHHQSA-N 1 0 389.562 2.859 20 0 GFADRO COc1ccc(Br)cc1[C@@H]1CCC[N@@H+]1CCC(=O)N1CCOCC1 ZINC000507202007 564221823 /nfs/dbraw/zinc/22/18/23/564221823.db2.gz GXHCQCQMQQYCJD-INIZCTEOSA-N 1 0 397.313 2.844 20 0 GFADRO O=C(Nc1ccncc1Br)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000507249146 564223227 /nfs/dbraw/zinc/22/32/27/564223227.db2.gz RBXWLEDLTILMEN-AWEZNQCLSA-N 1 0 375.270 2.662 20 0 GFADRO C[NH+](C)[C@@H]1CCN(c2nc(C(F)(F)F)ccc2I)C1 ZINC000450306831 564226030 /nfs/dbraw/zinc/22/60/30/564226030.db2.gz DXWSWUWQNQZEMU-MRVPVSSYSA-N 1 0 385.171 2.845 20 0 GFADRO C[C@H](O)C[N@H+](C)C1CCN(c2ncnc3cc(Br)ccc32)CC1 ZINC000450314391 564226705 /nfs/dbraw/zinc/22/67/05/564226705.db2.gz BZHPKRKPJWCLAA-LBPRGKRZSA-N 1 0 379.302 2.674 20 0 GFADRO C[C@@H](O)C[NH+]1CCC(CN(C)c2ncnc3cc(Br)ccc32)CC1 ZINC000450312904 564226947 /nfs/dbraw/zinc/22/69/47/564226947.db2.gz OGPMWARAIKIXSX-CYBMUJFWSA-N 1 0 393.329 2.921 20 0 GFADRO Cc1cc(Br)cc(NC(=O)C(=O)N[C@@H](c2nccn2C)C2CC2)c1 ZINC000507444006 564228840 /nfs/dbraw/zinc/22/88/40/564228840.db2.gz NVGDVJGNHPCYKI-CQSZACIVSA-N 1 0 391.269 2.697 20 0 GFADRO Cc1ccc(NC(=O)C(=O)N[C@H](c2nccn2C)C2CC2)cc1Br ZINC000507428552 564229193 /nfs/dbraw/zinc/22/91/93/564229193.db2.gz KWNPOWMKFFAVAX-AWEZNQCLSA-N 1 0 391.269 2.697 20 0 GFADRO CC[N@@H+]1CCC[C@H](CNS(=O)(=O)c2ccc(F)c(Br)c2)C1 ZINC000472613576 564229840 /nfs/dbraw/zinc/22/98/40/564229840.db2.gz RXSWHSXYCLUERO-LLVKDONJSA-N 1 0 379.295 2.598 20 0 GFADRO C[NH+]1CCC(n2ccc(NC(=O)c3cccc(Br)c3F)n2)CC1 ZINC000564394074 564231791 /nfs/dbraw/zinc/23/17/91/564231791.db2.gz XRPRPQDQLAUFSU-UHFFFAOYSA-N 1 0 381.249 3.304 20 0 GFADRO CC[C@H](c1ccc(Br)cc1)[N@@H+]1CCC[C@@H](CS(N)(=O)=O)C1 ZINC000472754450 564232459 /nfs/dbraw/zinc/23/24/59/564232459.db2.gz QJIMOXMYRBDNPZ-IUODEOHRSA-N 1 0 375.332 2.901 20 0 GFADRO O=C(Nc1cnc2c(Br)cccn12)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000564446601 564234904 /nfs/dbraw/zinc/23/49/04/564234904.db2.gz ZTKBRXAVPHTUBK-LBPRGKRZSA-N 1 0 378.274 2.799 20 0 GFADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)c1c(C)c(C)sc1Br ZINC000507619602 564235320 /nfs/dbraw/zinc/23/53/20/564235320.db2.gz ZCKJCEIGJKGUQD-LBPRGKRZSA-N 1 0 375.332 2.968 20 0 GFADRO C[C@H]1C[N@H+](C)[C@@H](C)CN1C(=O)c1ccccc1-n1cc(Br)cn1 ZINC000450541624 564237547 /nfs/dbraw/zinc/23/75/47/564237547.db2.gz RKJRLVYKONFUCF-STQMWFEESA-N 1 0 377.286 2.799 20 0 GFADRO CN(C)C(=O)CCN1CC[NH+](CC/C=C\c2ccc(Br)cc2)CC1 ZINC000473051233 564239331 /nfs/dbraw/zinc/23/93/31/564239331.db2.gz OJDFPJMSRUGHFI-HYXAFXHYSA-N 1 0 394.357 2.948 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)c2ccc(-n3cc(Br)cn3)cc2)C1 ZINC000564568686 564239824 /nfs/dbraw/zinc/23/98/24/564239824.db2.gz VOHAACLNRXEVGA-OCCSQVGLSA-N 1 0 377.286 2.834 20 0 GFADRO COCCNS(=O)(=O)c1ccc(C[NH2+][C@@H](C)c2sc(C)nc2C)cc1 ZINC000540167664 564241027 /nfs/dbraw/zinc/24/10/27/564241027.db2.gz OOCMNLVUZABIGR-LBPRGKRZSA-N 1 0 383.539 2.535 20 0 GFADRO CC(=O)c1cc(Br)ccc1OCC(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000507714341 564241243 /nfs/dbraw/zinc/24/12/43/564241243.db2.gz AHMWYLVSWNUMBL-ZDUSSCGKSA-N 1 0 397.313 2.879 20 0 GFADRO C[NH+](C)CC[C@](C)(O)CNC(=O)CCCOc1ccc(Cl)cc1Cl ZINC000473261196 564242476 /nfs/dbraw/zinc/24/24/76/564242476.db2.gz JKVWQVAJNHYLCL-KRWDZBQOSA-N 1 0 377.312 2.971 20 0 GFADRO CCN(CC)c1nc2sc(C(=O)NC[C@@](C)(O)CC[NH+](C)C)cc2s1 ZINC000473266593 564243133 /nfs/dbraw/zinc/24/31/33/564243133.db2.gz WOOVVHASGSJBAI-KRWDZBQOSA-N 1 0 384.571 2.637 20 0 GFADRO CCN(CC)c1nc2sc(C(=O)NC[C@](C)(O)CC[NH+](C)C)cc2s1 ZINC000473266594 564243137 /nfs/dbraw/zinc/24/31/37/564243137.db2.gz WOOVVHASGSJBAI-QGZVFWFLSA-N 1 0 384.571 2.637 20 0 GFADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000450715215 564244767 /nfs/dbraw/zinc/24/47/67/564244767.db2.gz WNRIPYRMRGFLST-JCGIZDLHSA-N 1 0 394.357 2.695 20 0 GFADRO CC[C@H](c1ccc(Br)cc1)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000507873459 564246312 /nfs/dbraw/zinc/24/63/12/564246312.db2.gz NOBAOSBSIKBLNE-QGZVFWFLSA-N 1 0 382.346 2.996 20 0 GFADRO O=C(NCC[C@@H]1CCC[NH2+]C1)Nc1ccc2nccnc2c1Br ZINC000564714966 564246416 /nfs/dbraw/zinc/24/64/16/564246416.db2.gz MFGFZXDLDFFKDW-NSHDSACASA-N 1 0 378.274 2.904 20 0 GFADRO C[C@@H](CC[NH+](C)C)NC(=O)N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000473430351 564246908 /nfs/dbraw/zinc/24/69/08/564246908.db2.gz QHFRNGUBRMYINO-FZMZJTMJSA-N 1 0 387.311 2.738 20 0 GFADRO CC(=O)N1CCC[N@H+](C[C@@H]2CCCN(c3cc(Br)ccn3)C2)CC1 ZINC000450775682 564247461 /nfs/dbraw/zinc/24/74/61/564247461.db2.gz PZZNFWMFBKGQCM-INIZCTEOSA-N 1 0 395.345 2.615 20 0 GFADRO COCCS(=O)(=O)N(CC[NH+]1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC000507963097 564248937 /nfs/dbraw/zinc/24/89/37/564248937.db2.gz QBETYHLAJNRQDA-UHFFFAOYSA-N 1 0 395.352 2.867 20 0 GFADRO COCC[C@H](NC(=O)C[NH2+]C[C@H]1CCCO1)c1ccc(Cl)c(Cl)c1 ZINC000564837347 564251296 /nfs/dbraw/zinc/25/12/96/564251296.db2.gz QLBMSDJEIHSOOA-CJNGLKHVSA-N 1 0 375.296 2.956 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)c1c(F)cccc1I ZINC000564835985 564251851 /nfs/dbraw/zinc/25/18/51/564251851.db2.gz VIVHECQZTLGCHY-BXKDBHETSA-N 1 0 376.213 2.772 20 0 GFADRO CN(C)C(=O)[C@@H]1CCC[C@H]([NH2+]C[C@@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000564857464 564252220 /nfs/dbraw/zinc/25/22/20/564252220.db2.gz TUPLGAPGPJFGHM-HZSPNIEDSA-N 1 0 389.323 2.970 20 0 GFADRO CN(C)C(=O)[C@@H]1CCC[C@@H]([NH2+]C[C@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000564857465 564252730 /nfs/dbraw/zinc/25/27/30/564252730.db2.gz TUPLGAPGPJFGHM-MCIONIFRSA-N 1 0 389.323 2.970 20 0 GFADRO C[C@]1(CCCO)CCC[N@@H+]1Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000540714314 564255905 /nfs/dbraw/zinc/25/59/05/564255905.db2.gz FPHVRWMJNLPHFW-QGZVFWFLSA-N 1 0 380.286 2.584 20 0 GFADRO Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000508140008 564256272 /nfs/dbraw/zinc/25/62/72/564256272.db2.gz CXWHEXMENCFZAC-ZDUSSCGKSA-N 1 0 379.306 2.637 20 0 GFADRO C[C@@H](C[NH+]1CCCCC1)NS(=O)(=O)c1cc(Br)c(F)cc1F ZINC000473943947 564258658 /nfs/dbraw/zinc/25/86/58/564258658.db2.gz JDSJKZLPZNVEHT-JTQLQIEISA-N 1 0 397.285 2.880 20 0 GFADRO CCC[C@@H]1C[NH2+]CCN1C(=O)c1cnc(Sc2nccn2C)c(Cl)c1 ZINC000564950248 564259031 /nfs/dbraw/zinc/25/90/31/564259031.db2.gz ARKWHIDPZWKNJO-CYBMUJFWSA-N 1 0 379.917 2.834 20 0 GFADRO [NH3+]C1(CNS(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CCC1 ZINC000564960317 564260009 /nfs/dbraw/zinc/26/00/09/564260009.db2.gz MXNVVULZQNYFMX-UHFFFAOYSA-N 1 0 376.322 2.884 20 0 GFADRO COc1cc(Br)c(S(=O)(=O)N[C@H](C)CCC[NH3+])cc1Cl ZINC000564966206 564260044 /nfs/dbraw/zinc/26/00/44/564260044.db2.gz CZYSLVPTIAQLJG-MRVPVSSYSA-N 1 0 385.711 2.517 20 0 GFADRO CC(C)C[C@H]([NH3+])c1noc(CN(C)S(=O)(=O)c2ccc(Cl)s2)n1 ZINC000564959572 564260385 /nfs/dbraw/zinc/26/03/85/564260385.db2.gz MQTCNWIVNVCIGW-VIFPVBQESA-N 1 0 378.907 2.651 20 0 GFADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)N[C@@H](C)c2ccc(Br)cn2)C1 ZINC000473975728 564260809 /nfs/dbraw/zinc/26/08/09/564260809.db2.gz GCKGJGOJGQHNPM-ZFWWWQNUSA-N 1 0 399.333 2.561 20 0 GFADRO C[C@H](NC(=O)N[C@H](CCO)c1ccccc1Br)C1=CC[N@H+](C)CC1 ZINC000541018797 564263421 /nfs/dbraw/zinc/26/34/21/564263421.db2.gz HPIROCMPYILGRL-SUMWQHHRSA-N 1 0 396.329 2.822 20 0 GFADRO Cc1ccc(C[N@H+]2CC[C@H](CN(C)CC(=O)N(C)c3nccs3)C2)s1 ZINC000565049977 564263973 /nfs/dbraw/zinc/26/39/73/564263973.db2.gz VCJDBBXDYGGZAI-OAHLLOKOSA-N 1 0 378.567 2.930 20 0 GFADRO C[NH+](C)C1(CNC(=O)c2cc(I)ccc2F)CCC1 ZINC000474109174 564264853 /nfs/dbraw/zinc/26/48/53/564264853.db2.gz YNDGJQCUHACPOT-UHFFFAOYSA-N 1 0 376.213 2.644 20 0 GFADRO CCC[C@@H]([NH2+]C(C)C)C(=O)NC[C@@H](CO)Cc1cccc(Br)c1 ZINC000508573682 564266646 /nfs/dbraw/zinc/26/66/46/564266646.db2.gz WNBQJFKVMGJRBZ-DOTOQJQBSA-N 1 0 385.346 2.883 20 0 GFADRO C[N@@H+]1CCCC[C@@H]1CCC(=O)NC[C@@H](CO)Cc1cccc(Br)c1 ZINC000508577322 564266731 /nfs/dbraw/zinc/26/67/31/564266731.db2.gz KUELGGBGHNMAGW-FUHWJXTLSA-N 1 0 397.357 2.981 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N2CCC(CC[NH3+])CC2)cc1Br ZINC000565109428 564266981 /nfs/dbraw/zinc/26/69/81/564266981.db2.gz FIWZIXIKJPTCHZ-UHFFFAOYSA-N 1 0 382.302 2.592 20 0 GFADRO C[N@H+](CC(=O)N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1)[C@H]1CCSC1 ZINC000541164728 564268023 /nfs/dbraw/zinc/26/80/23/564268023.db2.gz NATHQCRWBNIBBL-STQMWFEESA-N 1 0 376.448 2.503 20 0 GFADRO C[NH+](C)CC1(NC(=O)c2ccc(I)c(F)c2)CCC1 ZINC000508644044 564268386 /nfs/dbraw/zinc/26/83/86/564268386.db2.gz SQEGPDSITHYJHN-UHFFFAOYSA-N 1 0 376.213 2.644 20 0 GFADRO O=S1(=O)CCCN1CC[NH2+][C@@H](Cc1ccc(Cl)cc1)c1ccccn1 ZINC000541193608 564268871 /nfs/dbraw/zinc/26/88/71/564268871.db2.gz LDQBWELSEYCSKR-SFHVURJKSA-N 1 0 379.913 2.644 20 0 GFADRO C[C@H]1CCC[N@H+](CCNS(=O)(=O)c2cccc(Br)c2F)C1 ZINC000541246237 564270630 /nfs/dbraw/zinc/27/06/30/564270630.db2.gz LECNUDQXDSSXEK-NSHDSACASA-N 1 0 379.295 2.598 20 0 GFADRO CC(C)Sc1cc(Br)ccc1CN1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000565232888 564271695 /nfs/dbraw/zinc/27/16/95/564271695.db2.gz GFNTVTYQABORHT-GJZGRUSLSA-N 1 0 398.370 2.693 20 0 GFADRO CC(C)(C)CC[C@@H](CO)[NH2+]CCS(=O)(=O)c1cccc(Br)c1 ZINC000565302378 564274660 /nfs/dbraw/zinc/27/46/60/564274660.db2.gz DDFGFTUVRNDFKT-AWEZNQCLSA-N 1 0 392.359 3.000 20 0 GFADRO O=C(CC[NH2+][C@@H]1C[C@H]2CCCCN2C1=O)Nc1ccc(Br)cc1 ZINC000565299938 564274706 /nfs/dbraw/zinc/27/47/06/564274706.db2.gz LHYUKPYFFRDDFG-HUUCEWRRSA-N 1 0 380.286 2.521 20 0 GFADRO CCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(F)c(Br)c1 ZINC000508960511 564276723 /nfs/dbraw/zinc/27/67/23/564276723.db2.gz MFIRWIAQOZQCSE-LBPRGKRZSA-N 1 0 386.265 2.517 20 0 GFADRO Cc1cc(Br)cn2c(C[NH2+][C@@H]3CC(=O)N([C@H]4C[C@H]4C)C3)cnc12 ZINC000541392682 564278193 /nfs/dbraw/zinc/27/81/93/564278193.db2.gz IRZBPELISGDQFE-YVLXSGLVSA-N 1 0 377.286 2.504 20 0 GFADRO O=C1NC2(CCCC2)C(=O)N1CCC[NH2+]Cc1c(F)cccc1Br ZINC000474464092 564279634 /nfs/dbraw/zinc/27/96/34/564279634.db2.gz KOOBLKPBLDSYLB-UHFFFAOYSA-N 1 0 398.276 2.933 20 0 GFADRO O=S(=O)(c1ccccc1OC(F)(F)F)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000565412692 564280148 /nfs/dbraw/zinc/28/01/48/564280148.db2.gz LDYXCOVOHFGBIZ-STQMWFEESA-N 1 0 378.416 2.738 20 0 GFADRO O=C(C[N@H+]1CC[C@@H](Cc2cccc(I)c2)C1)N1CCCC1 ZINC000451187415 564284596 /nfs/dbraw/zinc/28/45/96/564284596.db2.gz GJKTUZWDCUXVTG-HNNXBMFYSA-N 1 0 398.288 2.778 20 0 GFADRO COc1cc(Br)ccc1CCCNC(=O)NCC[N@H+]1CC=CCC1 ZINC000474662712 564285006 /nfs/dbraw/zinc/28/50/06/564285006.db2.gz HCVGZBDFMNVHCJ-UHFFFAOYSA-N 1 0 396.329 2.951 20 0 GFADRO [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)N1CCC(n2cc(Br)cn2)CC1 ZINC000565588227 564287210 /nfs/dbraw/zinc/28/72/10/564287210.db2.gz CRYAGBCUBLQEEL-FFMGESDNSA-N 1 0 396.333 2.508 20 0 GFADRO NC(=O)[C@@H](C[NH2+]C1CCN(c2nccs2)CC1)Cc1ccccc1Cl ZINC000541765297 564287843 /nfs/dbraw/zinc/28/78/43/564287843.db2.gz ZFUGIZVZSREIQW-CQSZACIVSA-N 1 0 378.929 2.699 20 0 GFADRO CC[NH+](CC)CCOCCNC(=O)N[C@H]1C[C@H]1c1cccc(Br)c1 ZINC000541818194 564289611 /nfs/dbraw/zinc/28/96/11/564289611.db2.gz YKISLYQZURJUQK-IRXDYDNUSA-N 1 0 398.345 2.963 20 0 GFADRO COC[C@H](O)CC[NH2+][C@H](C)CCc1ccc(I)cc1 ZINC000474892585 564292931 /nfs/dbraw/zinc/29/29/31/564292931.db2.gz KFUFJFBABXRWFY-IUODEOHRSA-N 1 0 377.266 2.599 20 0 GFADRO C[C@@H]1CN(Cc2ccc(Br)cc2C(F)(F)F)CC[N@@H+]1CCO ZINC000474936698 564294775 /nfs/dbraw/zinc/29/47/75/564294775.db2.gz YYRUXVYVHUESFV-LLVKDONJSA-N 1 0 381.236 2.966 20 0 GFADRO CC[N@H+](C)C[C@H]1CCN(S(=O)(=O)Cc2ccc(Br)c(F)c2)C1 ZINC000451280497 564295064 /nfs/dbraw/zinc/29/50/64/564295064.db2.gz GVEGBQKCCLZHJQ-CYBMUJFWSA-N 1 0 393.322 2.692 20 0 GFADRO CC[NH+]1CCC(NC(=O)CN2CCc3c(Br)cccc3[C@H]2C)CC1 ZINC000509433877 564299705 /nfs/dbraw/zinc/29/97/05/564299705.db2.gz VVXFAEZDKFOPBP-CQSZACIVSA-N 1 0 394.357 2.969 20 0 GFADRO CC[C@@H]1C[N@H+](C)CCN1C(=O)C1CCN(C(=O)c2ccc(Cl)s2)CC1 ZINC000565911446 564301768 /nfs/dbraw/zinc/30/17/68/564301768.db2.gz IQLHGAWVFWGTPT-CQSZACIVSA-N 1 0 383.945 2.806 20 0 GFADRO COc1cccc(C[C@@H](C)[NH2+]C[C@@H](O)COc2ccccc2Br)n1 ZINC000542161594 564302836 /nfs/dbraw/zinc/30/28/36/564302836.db2.gz VVPPIGCGTAGHJD-UKRRQHHQSA-N 1 0 395.297 2.813 20 0 GFADRO C[C@@H](CCc1ccc(I)cc1)[NH2+]C[C@@H]1CCCC(=O)N1 ZINC000475209045 564303352 /nfs/dbraw/zinc/30/33/52/564303352.db2.gz CNYCJJPUYSPWOP-WFASDCNBSA-N 1 0 386.277 2.871 20 0 GFADRO CC[C@@H](C(=O)NC[C@@H](O)COc1cccc(Cl)c1Cl)[NH+](CC)CC ZINC000475341576 564305915 /nfs/dbraw/zinc/30/59/15/564305915.db2.gz GQMWRHXBPPOHIU-OCCSQVGLSA-N 1 0 377.312 2.970 20 0 GFADRO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)C[N@H+](C)[C@H](C)C(C)(C)O ZINC000451378083 564306585 /nfs/dbraw/zinc/30/65/85/564306585.db2.gz ZESNAWLIUTWSLH-SECBINFHSA-N 1 0 377.268 2.810 20 0 GFADRO CCC[N@H+](C)[C@H](CNS(=O)(=O)c1cnn(CC)c1)c1ccc(Cl)cc1 ZINC000509637590 564307256 /nfs/dbraw/zinc/30/72/56/564307256.db2.gz VOPHFTUQMSFUBA-QGZVFWFLSA-N 1 0 384.933 2.918 20 0 GFADRO CC[NH+](CC)CCN(CC(C)C)S(=O)(=O)c1ccsc1C(=O)OC ZINC000509660884 564308041 /nfs/dbraw/zinc/30/80/41/564308041.db2.gz HMBNKYRYAAFOKC-UHFFFAOYSA-N 1 0 376.544 2.523 20 0 GFADRO C[C@@H](Cc1cccc(Br)c1)NC(=O)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000566091255 564308807 /nfs/dbraw/zinc/30/88/07/564308807.db2.gz MZAUECVFSIMQGL-SUMWQHHRSA-N 1 0 391.313 2.931 20 0 GFADRO CCN(CC)S(=O)(=O)c1ccc(CNC(=O)[C@H](C)[NH2+]C(C)(C)CC)s1 ZINC000475487232 564309639 /nfs/dbraw/zinc/30/96/39/564309639.db2.gz NEGMWRADSYXSIH-ZDUSSCGKSA-N 1 0 389.587 2.562 20 0 GFADRO O[C@H](COc1ccc(Br)cc1)C[N@@H+]1CCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000451410432 564310550 /nfs/dbraw/zinc/31/05/50/564310550.db2.gz SMZUSPPBNZUNNF-HPBDAGMYSA-N 1 0 384.314 2.814 20 0 GFADRO OCC[N@H+](Cc1cc(Br)c2c(c1)OCCO2)[C@H]1CCCSC1 ZINC000475494275 564310822 /nfs/dbraw/zinc/31/08/22/564310822.db2.gz PWBPAWBLALKKLO-ZDUSSCGKSA-N 1 0 388.327 2.910 20 0 GFADRO COc1c[nH+]ccc1N1CCN(Cc2cc(O)ccc2Br)CC1 ZINC000475620470 564313185 /nfs/dbraw/zinc/31/31/85/564313185.db2.gz FEAYCMPZXHLHJV-UHFFFAOYSA-N 1 0 378.270 2.881 20 0 GFADRO CC[C@H]1[NH2+]CC[C@@H]1C(=O)N1CCN(C(=O)c2cccc(Cl)c2Cl)CC1 ZINC000566167748 564313541 /nfs/dbraw/zinc/31/35/41/564313541.db2.gz JUAWVSKDILDJIK-SWLSCSKDSA-N 1 0 384.307 2.666 20 0 GFADRO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@@H](CC(=O)OC)c1ccc(Br)cc1 ZINC000566165116 564313734 /nfs/dbraw/zinc/31/37/34/564313734.db2.gz FYSPUFXQZQBDCE-KKUMJFAQSA-N 1 0 383.286 2.558 20 0 GFADRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)C(=O)Nc1c(F)cccc1Br ZINC000509791953 564313898 /nfs/dbraw/zinc/31/38/98/564313898.db2.gz PEXLKPFRGAJJLU-RISCZKNCSA-N 1 0 398.276 2.612 20 0 GFADRO Ic1ccc(CN2CCC[C@H]2C[NH2+][C@H]2CCOC2)cc1 ZINC000475635450 564314099 /nfs/dbraw/zinc/31/40/99/564314099.db2.gz PUEASNZKZDRVFB-HOTGVXAUSA-N 1 0 386.277 2.634 20 0 GFADRO Cc1ncsc1CCS(=O)(=O)N[C@H](C)[C@@H](c1ccccc1C)[NH+](C)C ZINC000451453667 564314864 /nfs/dbraw/zinc/31/48/64/564314864.db2.gz OGWSBSYNWQYUQE-QAPCUYQASA-N 1 0 381.567 2.913 20 0 GFADRO C[C@@H]([NH2+]C1CC1)C(=O)Nc1ccc(CCn2cc(Br)cn2)cc1 ZINC000566185457 564315358 /nfs/dbraw/zinc/31/53/58/564315358.db2.gz IBYQMYOIUPIQFK-GFCCVEGCSA-N 1 0 377.286 2.967 20 0 GFADRO C[C@H](C[C@H](C)[NH3+])NC(=O)N1CCN(C(=O)c2cc3sccc3s2)CC1 ZINC000566192191 564315420 /nfs/dbraw/zinc/31/54/20/564315420.db2.gz JKRSADLMNRVLLP-NWDGAFQWSA-N 1 0 380.539 2.556 20 0 GFADRO Cc1ncc(C[NH2+][C@@H](C)CC(=O)Nc2cccc(Br)c2)c(=O)[nH]1 ZINC000542484046 564315543 /nfs/dbraw/zinc/31/55/43/564315543.db2.gz OQHRWGNCHCIGKU-JTQLQIEISA-N 1 0 379.258 2.760 20 0 GFADRO C[N@@H+]1CC[C@H]2[C@H](CCCN2S(=O)(=O)c2cccc(Br)c2F)C1 ZINC000542467682 564315637 /nfs/dbraw/zinc/31/56/37/564315637.db2.gz PTUUVUFSJZANJF-YPMHNXCESA-N 1 0 391.306 2.693 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2c[nH]nc2-c2ccc(Cl)s2)CC1 ZINC000566211485 564317271 /nfs/dbraw/zinc/31/72/71/564317271.db2.gz LZUSLMVVHLVWQE-WBMJQRKESA-N 1 0 380.901 2.760 20 0 GFADRO COc1cc(OC)c(S(=O)(=O)N2CCNCc3ccccc32)cc1Cl ZINC000566215335 564317357 /nfs/dbraw/zinc/31/73/57/564317357.db2.gz TWEUQQVNCHLNPK-UHFFFAOYSA-N 1 0 382.869 2.656 20 0 GFADRO O=C(NCCC[C@@H]1CCC[NH2+]1)[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000566212354 564317546 /nfs/dbraw/zinc/31/75/46/564317546.db2.gz SQVZOUNUHKFPKM-GXTWGEPZSA-N 1 0 384.307 2.995 20 0 GFADRO Cc1cc(S(=O)(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c(F)cc1Br ZINC000566223660 564317579 /nfs/dbraw/zinc/31/75/79/564317579.db2.gz IBKGYGPZOKEZHU-MJVIPROJSA-N 1 0 391.306 2.645 20 0 GFADRO CN(CCC[NH+]1CCCC1)S(=O)(=O)Cc1ccc(Br)c(F)c1 ZINC000451486368 564317775 /nfs/dbraw/zinc/31/77/75/564317775.db2.gz DEGASIZBGGPVMX-UHFFFAOYSA-N 1 0 393.322 2.836 20 0 GFADRO C[C@@H]1OCC[C@@H]1C(=O)Nc1ccc(CN2CC[NH+](C)CC2)c(Br)c1 ZINC000475747903 564317980 /nfs/dbraw/zinc/31/79/80/564317980.db2.gz FYJNMWGHVNDOLD-BBRMVZONSA-N 1 0 396.329 2.560 20 0 GFADRO CC[NH+]1CCN(CC(=O)N2CCc3c(Br)cccc3[C@@H]2C)CC1 ZINC000509927631 564318486 /nfs/dbraw/zinc/31/84/86/564318486.db2.gz KBXRWWPYRGZCBP-AWEZNQCLSA-N 1 0 380.330 2.532 20 0 GFADRO CC[C@H]1[NH2+]CC[C@H]1C(=O)NC1(c2cccc(Br)c2)CCOCC1 ZINC000566245461 564318835 /nfs/dbraw/zinc/31/88/35/564318835.db2.gz KMOGIDJRBCQDRL-HZPDHXFCSA-N 1 0 381.314 2.959 20 0 GFADRO CC[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1cc(F)c(I)c(F)c1 ZINC000566248390 564319097 /nfs/dbraw/zinc/31/90/97/564319097.db2.gz BVZXDQYKDUHKLS-KCJUWKMLSA-N 1 0 380.176 2.896 20 0 GFADRO CO[C@@H]1C[C@H]([NH2+]CC(=O)Nc2ccccc2I)C1(C)C ZINC000451487846 564319321 /nfs/dbraw/zinc/31/93/21/564319321.db2.gz FYKMCNLHJMSIRL-QWHCGFSZSA-N 1 0 388.249 2.633 20 0 GFADRO CO[C@H]1C[C@@H]([NH2+]CC(=O)N(C)Cc2cc(Br)cs2)C1(C)C ZINC000451495315 564319356 /nfs/dbraw/zinc/31/93/56/564319356.db2.gz LMIRYJJNDASKLH-OLZOCXBDSA-N 1 0 375.332 2.872 20 0 GFADRO CN1CCO[C@H]2CCN(C(=O)c3cc4c(ccc(F)c4Br)[nH]3)C[C@@H]21 ZINC000451529649 564322951 /nfs/dbraw/zinc/32/29/51/564322951.db2.gz NPUMZHVLDZQKMN-GJZGRUSLSA-N 1 0 396.260 2.615 20 0 GFADRO CO[C@@H]1CC[N@H+](CC(=O)N(C)Cc2cc(Br)cs2)C[C@H]1C ZINC000451539086 564323941 /nfs/dbraw/zinc/32/39/41/564323941.db2.gz FBEMGQAGVAAXHV-BXUZGUMPSA-N 1 0 375.332 2.826 20 0 GFADRO CCC(C)(C)[NH2+][C@@H](C)C(=O)NCCCNC(=O)c1cccc(Br)c1 ZINC000475924719 564324332 /nfs/dbraw/zinc/32/43/32/564324332.db2.gz FBAMWXQAOYSVIV-ZDUSSCGKSA-N 1 0 398.345 2.852 20 0 GFADRO Cc1cc(Br)cn2cc(CNC(=O)N[C@@H](C)CC[NH+](C)C)nc12 ZINC000542767354 564326061 /nfs/dbraw/zinc/32/60/61/564326061.db2.gz ARPOYYQEYCXVBE-LBPRGKRZSA-N 1 0 382.306 2.545 20 0 GFADRO CO[C@@H]1CC[N@H+](C[C@@H](O)COc2cc(F)cc(Br)c2)C[C@@H]1C ZINC000451568716 564326545 /nfs/dbraw/zinc/32/65/45/564326545.db2.gz OBCJGRWCJHEVHR-SGIREYDYSA-N 1 0 376.266 2.685 20 0 GFADRO CC(C)[N@H+](C)C[C@H](O)CSc1nnc(COc2ccccc2Cl)n1C ZINC000566490553 564329759 /nfs/dbraw/zinc/32/97/59/564329759.db2.gz JJSWQBPZZDXABI-ZDUSSCGKSA-N 1 0 384.933 2.841 20 0 GFADRO CC[NH+](CC)C[C@@H](C)NC(=O)N[C@H](CCO)c1ccccc1Br ZINC000542895965 564330426 /nfs/dbraw/zinc/33/04/26/564330426.db2.gz POSQYKSZWGJYQS-CZUORRHYSA-N 1 0 386.334 2.902 20 0 GFADRO C[N@@H+]1CC[C@H]2OCCN(C(=O)c3cc4c(ccc(F)c4Br)[nH]3)[C@H]2C1 ZINC000451617923 564332111 /nfs/dbraw/zinc/33/21/11/564332111.db2.gz VDZBDJCGXBGLHO-LSDHHAIUSA-N 1 0 396.260 2.615 20 0 GFADRO COCC[C@@H](Cc1cccc(Br)c1)C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000510409904 564333106 /nfs/dbraw/zinc/33/31/06/564333106.db2.gz VMPRNGYAIGQCEW-YJBOKZPZSA-N 1 0 383.330 2.842 20 0 GFADRO COc1ccc(CN2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)c(Br)c1O ZINC000566592673 564333651 /nfs/dbraw/zinc/33/36/51/564333651.db2.gz UYQMSNFZRSACTK-OFQRWUPVSA-N 1 0 399.329 2.847 20 0 GFADRO Cc1cc(Br)cn2c(C[NH2+]C[C@@H]3CC(=O)N(C4CC4)C3)cnc12 ZINC000566625013 564335096 /nfs/dbraw/zinc/33/50/96/564335096.db2.gz GACHLBZDSLDINO-LBPRGKRZSA-N 1 0 377.286 2.506 20 0 GFADRO CN(C)S(=O)(=O)CC[NH+]1CCC(c2ccc(Br)cc2)CC1 ZINC000510594857 564339624 /nfs/dbraw/zinc/33/96/24/564339624.db2.gz DXFCTWGYUCIRLG-UHFFFAOYSA-N 1 0 375.332 2.520 20 0 GFADRO CCS(=O)(=O)NCCC[N@H+](CCCO)Cc1ccc(Cl)c(Cl)c1 ZINC000510569689 564339629 /nfs/dbraw/zinc/33/96/29/564339629.db2.gz KGYRDTWJINPYLP-UHFFFAOYSA-N 1 0 383.341 2.507 20 0 GFADRO CC(=O)Nc1ccc(OC[C@@H](O)C[NH2+]Cc2cccc(Br)c2)cc1 ZINC000566732587 564340159 /nfs/dbraw/zinc/34/01/59/564340159.db2.gz CNKHPGVFPMWANT-KRWDZBQOSA-N 1 0 393.281 2.937 20 0 GFADRO CCCSc1nsc(NC(=O)N(C)CC[N@H+](C)C2CCN(C)CC2)n1 ZINC000476473493 564340590 /nfs/dbraw/zinc/34/05/90/564340590.db2.gz TVRGOIPMKNHBBQ-UHFFFAOYSA-N 1 0 386.591 2.530 20 0 GFADRO CN(Cc1ccccc1Br)C(=O)C[N@@H+]1CC[C@@H]2C[C@@H](O)CC[C@@H]2C1 ZINC000451701958 564341324 /nfs/dbraw/zinc/34/13/24/564341324.db2.gz HXHOXUIISSUCOZ-INMHGKMJSA-N 1 0 395.341 2.890 20 0 GFADRO O=C(CN[C@H](c1ccccc1)c1ccccc1Br)N1CC[NH2+]CC1 ZINC000566791080 564343914 /nfs/dbraw/zinc/34/39/14/564343914.db2.gz OYPIVOVVGMNQBN-LJQANCHMSA-N 1 0 388.309 2.560 20 0 GFADRO CS(=O)(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCOc1ccc(C(F)(F)F)cc1 ZINC000510776675 564346503 /nfs/dbraw/zinc/34/65/03/564346503.db2.gz IFQZTJMDVYEDCU-HUUCEWRRSA-N 1 0 380.432 2.534 20 0 GFADRO C[C@H](c1cccc(S(N)(=O)=O)c1)[N@H+](C)Cc1cc(-n2ccnc2)cs1 ZINC000543396461 564348531 /nfs/dbraw/zinc/34/85/31/564348531.db2.gz GQXHFBAKXQRRNZ-CYBMUJFWSA-N 1 0 376.507 2.774 20 0 GFADRO C[C@H](CC1CC1)[NH2+]CCCNS(=O)(=O)c1ccccc1Br ZINC000566990378 564352369 /nfs/dbraw/zinc/35/23/69/564352369.db2.gz ZWFXMGIOWGCFTB-GFCCVEGCSA-N 1 0 375.332 2.896 20 0 GFADRO Cc1ncc([C@@H](C)[NH2+]CCNS(=O)(=O)c2ccc(F)cc2Cl)c(C)n1 ZINC000510983213 564352660 /nfs/dbraw/zinc/35/26/60/564352660.db2.gz HBOBDZKTDYTSEH-SNVBAGLBSA-N 1 0 386.880 2.515 20 0 GFADRO CCC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1cc(F)ccc1Br ZINC000510981144 564353096 /nfs/dbraw/zinc/35/30/96/564353096.db2.gz CRYROIMFJGQHKR-LBPRGKRZSA-N 1 0 379.295 2.741 20 0 GFADRO CCC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1F ZINC000511005235 564353180 /nfs/dbraw/zinc/35/31/80/564353180.db2.gz UWWOVYDGPFVEIN-LBPRGKRZSA-N 1 0 391.896 2.590 20 0 GFADRO C[C@H]([NH2+][C@@H]1COCC1(C)C)C(=O)Nc1ccc(I)cc1 ZINC000451808583 564354393 /nfs/dbraw/zinc/35/43/93/564354393.db2.gz KHCYWPQODLLQFI-GXFFZTMASA-N 1 0 388.249 2.633 20 0 GFADRO CCO[C@@H]1C[C@H]([NH2+]CCNS(=O)(=O)c2ccc(F)cc2Cl)C12CCC2 ZINC000511038516 564355085 /nfs/dbraw/zinc/35/50/85/564355085.db2.gz RKUZFMYKTVRLTF-JKSUJKDBSA-N 1 0 390.908 2.695 20 0 GFADRO CC[NH+](CC)CCOCCNC(=O)Cc1ccc(Br)c(F)c1 ZINC000543610665 564355426 /nfs/dbraw/zinc/35/54/26/564355426.db2.gz LREXYSRBLULGQD-UHFFFAOYSA-N 1 0 375.282 2.605 20 0 GFADRO COc1cc(OC)c(S(=O)(=O)NCc2ccc([C@H](C)[NH3+])cc2)cc1Cl ZINC000567047904 564355439 /nfs/dbraw/zinc/35/54/39/564355439.db2.gz AFBIVZXRTFRRJN-NSHDSACASA-N 1 0 384.885 2.855 20 0 GFADRO C[NH+](C)Cc1ccc(S(=O)(=O)NCc2cc(Cl)cc3c2OCC3)cc1 ZINC000567058300 564355521 /nfs/dbraw/zinc/35/55/21/564355521.db2.gz WNCQWLAJCJUZKY-UHFFFAOYSA-N 1 0 380.897 2.815 20 0 GFADRO FC(F)[C@H]1C[NH2+]CCN1Cc1nc(-c2cc(Br)cs2)no1 ZINC000567111181 564358148 /nfs/dbraw/zinc/35/81/48/564358148.db2.gz MEVNNOJLHAXFEJ-MRVPVSSYSA-N 1 0 379.230 2.600 20 0 GFADRO NC(=O)[C@@H](Cc1ccccc1)[NH2+][C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000543658964 564358354 /nfs/dbraw/zinc/35/83/54/564358354.db2.gz PQCZYRHURQTYTG-SJLPKXTDSA-N 1 0 388.309 2.714 20 0 GFADRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)N(C)CCn1cc(Br)cn1 ZINC000567140359 564359216 /nfs/dbraw/zinc/35/92/16/564359216.db2.gz XEUOFPHUDOSTDX-ZIAGYGMSSA-N 1 0 386.338 2.550 20 0 GFADRO CN(CC[NH+]1CCCC1)C(=O)c1cc(Br)cnc1OCC1CC1 ZINC000511159880 564360740 /nfs/dbraw/zinc/36/07/40/564360740.db2.gz IZHDUKBUJMUIGZ-UHFFFAOYSA-N 1 0 382.302 2.801 20 0 GFADRO C[C@@H]1CSc2ccc(Br)cc2[C@H]1[NH2+]CCNC(=O)c1ccn[nH]1 ZINC000543740283 564361940 /nfs/dbraw/zinc/36/19/40/564361940.db2.gz RGUGOQFVPWODMD-BMIGLBTASA-N 1 0 395.326 2.975 20 0 GFADRO COc1cc(Cl)c(S(=O)(=O)NC(C)(C)CCC[NH+](C)C)cc1OC ZINC000451892004 564362580 /nfs/dbraw/zinc/36/25/80/564362580.db2.gz PAIZQCWYEQKIJI-UHFFFAOYSA-N 1 0 378.922 2.756 20 0 GFADRO CCN1CCN(S(=O)(=O)c2ccc(Cl)cc2Br)[C@H](C)C1 ZINC000511272345 564364842 /nfs/dbraw/zinc/36/48/42/564364842.db2.gz PAKLZYDYLFNYKB-SNVBAGLBSA-N 1 0 381.723 2.817 20 0 GFADRO CC[C@@H](C)[N@H+](C)CCNC(=O)N[C@H](CCO)c1ccccc1Br ZINC000543824015 564365143 /nfs/dbraw/zinc/36/51/43/564365143.db2.gz WUOKUPWTICKOBQ-CZUORRHYSA-N 1 0 386.334 2.902 20 0 GFADRO CC[N@@H+]1CCN(C(=O)c2ccccc2-n2cc(Br)cn2)[C@@H](C)C1 ZINC000451916517 564366652 /nfs/dbraw/zinc/36/66/52/564366652.db2.gz LEDPBTISVZZKEK-ZDUSSCGKSA-N 1 0 377.286 2.801 20 0 GFADRO Cc1ccc(Br)cc1CN1CC[NH+]([C@@H]2CCNC(=O)CC2)CC1 ZINC000451919815 564367514 /nfs/dbraw/zinc/36/75/14/564367514.db2.gz UPBVYGRAELCTHM-KRWDZBQOSA-N 1 0 380.330 2.544 20 0 GFADRO COC[C@@]1(CO)CC[N@H+](CC(=O)N[C@H](C)c2ccc(Cl)c(Cl)c2)C1 ZINC000451930597 564369418 /nfs/dbraw/zinc/36/94/18/564369418.db2.gz QZSWOMWEDZFHIZ-PXAZEXFGSA-N 1 0 375.296 2.501 20 0 GFADRO CN(Cc1ccccc1)C(=O)C[NH2+][C@](C)(CO)c1ccc(Br)cc1 ZINC000511548703 564375311 /nfs/dbraw/zinc/37/53/11/564375311.db2.gz ZSAHHAHJZCMXFK-LJQANCHMSA-N 1 0 391.309 2.905 20 0 GFADRO C[C@](CO)([NH2+]C[C@@H](O)COc1ccccc1F)c1ccc(Br)cc1 ZINC000511548222 564375674 /nfs/dbraw/zinc/37/56/74/564375674.db2.gz XLSKCZWZWVHPSV-CRAIPNDOSA-N 1 0 398.272 2.825 20 0 GFADRO Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+]Cc2ccc(C[S@](C)=O)cc2)cc1 ZINC000567532341 564375857 /nfs/dbraw/zinc/37/58/57/564375857.db2.gz USBKPAGEGJRVCF-FYSMJZIKSA-N 1 0 379.547 2.826 20 0 GFADRO C[N@H+](CCNS(=O)(=O)c1ccc(OCC(F)F)cc1)C1CCCCC1 ZINC000544119783 564376176 /nfs/dbraw/zinc/37/61/76/564376176.db2.gz IRISCIVZVZMHBK-UHFFFAOYSA-N 1 0 376.469 2.873 20 0 GFADRO C[N@H+](CCOc1ccc(S(N)(=O)=O)cc1F)C[C@@H]1CCCCC1(F)F ZINC000451988465 564377160 /nfs/dbraw/zinc/37/71/60/564377160.db2.gz NSEXRFRVDXCGMX-LBPRGKRZSA-N 1 0 380.432 2.609 20 0 GFADRO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@@H+]2CC(=O)N[C@H](C)c1ccc(Br)cc1 ZINC000511670597 564379254 /nfs/dbraw/zinc/37/92/54/564379254.db2.gz JMHXNGHUTRWALE-GPLZEADVSA-N 1 0 393.325 2.982 20 0 GFADRO C[N@H+](CCOc1ccc(S(N)(=O)=O)cc1F)CCSc1ccccc1 ZINC000452007391 564380484 /nfs/dbraw/zinc/38/04/84/564380484.db2.gz HANMAZKKPRFPAA-UHFFFAOYSA-N 1 0 384.498 2.576 20 0 GFADRO [NH3+][C@@H]1CCCO[C@H]1C1CCN(C(=O)COc2ccc(Br)cc2)CC1 ZINC000567658428 564381726 /nfs/dbraw/zinc/38/17/26/564381726.db2.gz HAYSWOCXZSJMRL-AEFFLSMTSA-N 1 0 397.313 2.573 20 0 GFADRO O=C(NCC[C@@H]1CCC[NH2+]C1)c1ncc(Br)cc1Br ZINC000567668795 564382140 /nfs/dbraw/zinc/38/21/40/564382140.db2.gz VBEJMTHBWAXCCD-VIFPVBQESA-N 1 0 391.107 2.726 20 0 GFADRO CC1(C)CCC[N@H+](CCNCc2ncc(I)s2)C1 ZINC000511798326 564382232 /nfs/dbraw/zinc/38/22/32/564382232.db2.gz RZUHQJIENYKGHH-UHFFFAOYSA-N 1 0 379.311 2.959 20 0 GFADRO C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](c1cc(Cl)cc(Cl)c1)N1CCOCC1 ZINC000511838120 564384069 /nfs/dbraw/zinc/38/40/69/564384069.db2.gz LNDKDCVELBNPGQ-SJORKVTESA-N 1 0 386.323 2.577 20 0 GFADRO CCC(=O)N1CSC[C@H]1C(=O)Nc1nc2c(s1)C[N@@H+](C(C)(C)C)CC2 ZINC000567715908 564384245 /nfs/dbraw/zinc/38/42/45/564384245.db2.gz WBQIAGKIZJFCTA-LBPRGKRZSA-N 1 0 382.555 2.550 20 0 GFADRO CC(C)c1nnc(NC(=O)C[N@H+](C)C2CCN(CC(F)(F)F)CC2)s1 ZINC000452034897 564384681 /nfs/dbraw/zinc/38/46/81/564384681.db2.gz VGEPDPDCAXSXIF-UHFFFAOYSA-N 1 0 379.452 2.559 20 0 GFADRO CC[C@H]([NH2+]C[C@H](O)COc1cc(F)cc(Br)c1)[C@@H](O)C(C)C ZINC000567734678 564386673 /nfs/dbraw/zinc/38/66/73/564386673.db2.gz UEQDGTQHLLLSMD-BPUTZDHNSA-N 1 0 378.282 2.713 20 0 GFADRO C[C@H](O)C[N@@H+]1CCN(c2cc(C(F)(F)F)c(Br)cn2)C[C@H]1C ZINC000567751999 564387153 /nfs/dbraw/zinc/38/71/53/564387153.db2.gz VJOHSTBHWSPAMI-ZJUUUORDSA-N 1 0 382.224 2.754 20 0 GFADRO Cc1cc(Br)c(S(=O)(=O)NCC[N@@H+]2CCCC2(C)C)s1 ZINC000452081915 564389636 /nfs/dbraw/zinc/38/96/36/564389636.db2.gz DUGNZAWZAUHZDI-UHFFFAOYSA-N 1 0 381.361 2.972 20 0 GFADRO CC1(C)CCC[N@@H+]1CCNS(=O)(=O)Cc1ccc(Br)c(F)c1 ZINC000452088611 564389838 /nfs/dbraw/zinc/38/98/38/564389838.db2.gz OGYSTYZXMQAQFR-UHFFFAOYSA-N 1 0 393.322 2.882 20 0 GFADRO COc1cc(Cl)c(S(=O)(=O)NC(C)(C)C[NH+]2CCCC2)cc1OC ZINC000452080118 564389977 /nfs/dbraw/zinc/38/99/77/564389977.db2.gz BBKAAKCANATASE-UHFFFAOYSA-N 1 0 376.906 2.510 20 0 GFADRO CS(=O)(=O)[C@@H]1CCCC[C@H]1[NH2+]CCCOc1ccc(C(F)(F)F)cn1 ZINC000477926681 564390696 /nfs/dbraw/zinc/39/06/96/564390696.db2.gz MXAXRVITJREDDC-ZIAGYGMSSA-N 1 0 380.432 2.815 20 0 GFADRO C[C@H]([NH3+])C[C@H](C)NC(=O)NCc1cc(Br)ccc1OC(F)F ZINC000567820127 564391212 /nfs/dbraw/zinc/39/12/12/564391212.db2.gz GFABEWJFWNMLMY-IUCAKERBSA-N 1 0 380.233 2.976 20 0 GFADRO C[C@@H](C[NH2+][C@@H](Cc1ccccc1)C(N)=O)Oc1ccc(Br)cc1 ZINC000544640409 564391753 /nfs/dbraw/zinc/39/17/53/564391753.db2.gz XQTINPHBKFSLFV-GUYCJALGSA-N 1 0 377.282 2.903 20 0 GFADRO CN(CCC[NH+](C)C)C(=O)C(=O)N(Cc1cccs1)Cc1cccs1 ZINC000567857204 564392648 /nfs/dbraw/zinc/39/26/48/564392648.db2.gz OCTHJLZWYPCNSS-UHFFFAOYSA-N 1 0 379.551 2.749 20 0 GFADRO CC(C)[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2ccc(Br)cc2F)C1 ZINC000452104998 564392918 /nfs/dbraw/zinc/39/29/18/564392918.db2.gz NCRKIMJKQUNGDN-GFCCVEGCSA-N 1 0 379.295 2.691 20 0 GFADRO O=c1n2ccccc2nn1CC[NH2+][C@H](CCO)c1ccc(Cl)c(Cl)c1 ZINC000512161264 564393854 /nfs/dbraw/zinc/39/38/54/564393854.db2.gz DYLNDCBDCAGAHU-OAHLLOKOSA-N 1 0 381.263 2.516 20 0 GFADRO CC(C)[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2cccc(Br)c2F)C1 ZINC000452109419 564393825 /nfs/dbraw/zinc/39/38/25/564393825.db2.gz YHDUMGWXWQWMSU-LLVKDONJSA-N 1 0 379.295 2.691 20 0 GFADRO CNC(=O)[C@H](C)C[N@H+](C)[C@@H](C)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000478051187 564394108 /nfs/dbraw/zinc/39/41/08/564394108.db2.gz AHXHNBRTBNPMBV-ZJUUUORDSA-N 1 0 379.810 3.000 20 0 GFADRO O=C(CN1CCC[C@H]([C@H]2CC[NH2+]C2)C1)Nc1ccc(Br)cc1F ZINC000567894678 564395380 /nfs/dbraw/zinc/39/53/80/564395380.db2.gz NLQWBBWUJOYTMI-STQMWFEESA-N 1 0 384.293 2.848 20 0 GFADRO NC(=O)C[C@@H]1CCCC[N@@H+]1Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000512231086 564396298 /nfs/dbraw/zinc/39/62/98/564396298.db2.gz YBSZRPHHEMDGEU-INIZCTEOSA-N 1 0 377.286 2.865 20 0 GFADRO C[NH+]1CCC(NC(=O)[C@@H](c2cc(Cl)cc(Cl)c2)N2CCOCC2)CC1 ZINC000512283019 564396777 /nfs/dbraw/zinc/39/67/77/564396777.db2.gz VVSXSIBCPFVZQA-QGZVFWFLSA-N 1 0 386.323 2.577 20 0 GFADRO O=C(NCC[NH+]1CCCC1)[C@@H](c1cc(Cl)cc(Cl)c1)N1CCOCC1 ZINC000512290882 564396926 /nfs/dbraw/zinc/39/69/26/564396926.db2.gz ZKLHCHNJVVSVLN-QGZVFWFLSA-N 1 0 386.323 2.579 20 0 GFADRO C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]C[C@@H]1CCCCS1(=O)=O ZINC000567962730 564397513 /nfs/dbraw/zinc/39/75/13/564397513.db2.gz XUJYFBPPDQJXMU-PBHICJAKSA-N 1 0 386.945 2.634 20 0 GFADRO CC[C@@H]1CN(C(=O)Cn2cc(Br)cn2)CC[N@@H+]1Cc1ccccc1 ZINC000544769301 564398025 /nfs/dbraw/zinc/39/80/25/564398025.db2.gz GBMSUIGZKXVUQH-QGZVFWFLSA-N 1 0 391.313 2.769 20 0 GFADRO C[C@@H](C[NH+](C)C)NC(=O)N1CCO[C@H](c2ccc(Br)cc2)[C@@H]1C ZINC000512426247 564401181 /nfs/dbraw/zinc/40/11/81/564401181.db2.gz IHWQBUSBKULYFI-XEZPLFJOSA-N 1 0 384.318 2.871 20 0 GFADRO C[C@@H](C[NH+](C)C)NC(=O)N1CCO[C@@H](c2ccc(Br)cc2)[C@@H]1C ZINC000512426244 564401213 /nfs/dbraw/zinc/40/12/13/564401213.db2.gz IHWQBUSBKULYFI-HEHGZKQESA-N 1 0 384.318 2.871 20 0 GFADRO COc1c[nH+]ccc1N1CCN(C(=O)c2cc(F)ccc2Br)CC1 ZINC000478447477 564402221 /nfs/dbraw/zinc/40/22/21/564402221.db2.gz KHBMUXPFPHMEFY-UHFFFAOYSA-N 1 0 394.244 2.954 20 0 GFADRO Cn1cc(Br)c(C(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)n1 ZINC000568045931 564402269 /nfs/dbraw/zinc/40/22/69/564402269.db2.gz MIXWRZJKEBGGJY-CQSZACIVSA-N 1 0 383.334 2.911 20 0 GFADRO COc1c[nH+]ccc1N1CCN(C(=O)c2ccc(F)c(Br)c2)CC1 ZINC000478435967 564402395 /nfs/dbraw/zinc/40/23/95/564402395.db2.gz NECTURIIMLGKFD-UHFFFAOYSA-N 1 0 394.244 2.954 20 0 GFADRO C[C@H]1C[C@@H](N2CCOCC2)C[N@@H+]1CCOc1cc(F)cc(Br)c1 ZINC000512432446 564402772 /nfs/dbraw/zinc/40/27/72/564402772.db2.gz GGZZEYGODGOISR-XJKSGUPXSA-N 1 0 387.293 2.762 20 0 GFADRO COc1c[nH+]ccc1N1CCN(C(=O)c2ccc(F)cc2Br)CC1 ZINC000478462736 564403615 /nfs/dbraw/zinc/40/36/15/564403615.db2.gz AJPGPFYTDWUTJA-UHFFFAOYSA-N 1 0 394.244 2.954 20 0 GFADRO Cc1cc(C(=O)N2CC[C@H](C[NH+](C)C)C2)nn1-c1ccc(Br)cc1 ZINC000512482067 564404375 /nfs/dbraw/zinc/40/43/75/564404375.db2.gz AXPMKIWHCIJQSR-CQSZACIVSA-N 1 0 391.313 2.967 20 0 GFADRO CC[C@H](C(=O)NCc1ccc(I)cc1Cl)[NH+](C)C ZINC000478500445 564405205 /nfs/dbraw/zinc/40/52/05/564405205.db2.gz JIIKOGLNKZTIOT-GFCCVEGCSA-N 1 0 380.657 2.901 20 0 GFADRO Cc1csc(CNc2cccc(S(=O)(=O)NCCCC[NH+](C)C)c2)n1 ZINC000512652876 564407745 /nfs/dbraw/zinc/40/77/45/564407745.db2.gz SFMGNLZBYYQSHR-UHFFFAOYSA-N 1 0 382.555 2.684 20 0 GFADRO CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CCNC(=O)[C@H]1c1ccc(Br)cc1 ZINC000478577915 564408039 /nfs/dbraw/zinc/40/80/39/564408039.db2.gz BEJHLPBMCBLOAC-SWLSCSKDSA-N 1 0 396.329 2.615 20 0 GFADRO O=C(NC[C@@H]1CCC[N@H+]1CCCO)c1cc(F)c(Br)c(Cl)c1 ZINC000452376805 564409866 /nfs/dbraw/zinc/40/98/66/564409866.db2.gz ZHKRSZFVHXFYST-NSHDSACASA-N 1 0 393.684 2.818 20 0 GFADRO COc1ccc(CNC(=O)NCC[N@H+]2CC=C(C)CC2)cc1Br ZINC000545153105 564410382 /nfs/dbraw/zinc/41/03/82/564410382.db2.gz JZSFRKVCYIGKLA-UHFFFAOYSA-N 1 0 382.302 2.909 20 0 GFADRO O=C(NC[C@@H]1CCCC[N@H+]1CCO)c1nc2ccccc2cc1Br ZINC000452381186 564411507 /nfs/dbraw/zinc/41/15/07/564411507.db2.gz VISHQYMWNQCDLW-AWEZNQCLSA-N 1 0 392.297 2.574 20 0 GFADRO O[C@H](C[NH2+][C@@H]1CCCC[C@H]1O)COc1ccc(Cl)cc1Br ZINC000568268855 564412377 /nfs/dbraw/zinc/41/23/77/564412377.db2.gz MAGCGLJHXBQNCE-MRVWCRGKSA-N 1 0 378.694 2.735 20 0 GFADRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1scnc1C(F)(F)F ZINC000568291939 564412771 /nfs/dbraw/zinc/41/27/71/564412771.db2.gz YOEKKULWQIVJDE-VXGBXAGGSA-N 1 0 377.432 2.660 20 0 GFADRO CS(=O)(=O)N[C@H]1CCCC[C@@H]1C[NH2+]Cc1ccc(OC(F)(F)F)cc1 ZINC000512849352 564413987 /nfs/dbraw/zinc/41/39/87/564413987.db2.gz DHZDKNGCPZKFFM-HIFRSBDPSA-N 1 0 380.432 2.783 20 0 GFADRO COc1cc(C[NH2+]C[C@@H]2CCCC[C@H]2NS(C)(=O)=O)cc(Cl)c1OC ZINC000512862610 564414445 /nfs/dbraw/zinc/41/44/45/564414445.db2.gz VQPJXCGPBVJSOW-DZGCQCFKSA-N 1 0 390.933 2.555 20 0 GFADRO C[C@H]1CC[C@@H]([NH2+]CCCNS(=O)(=O)c2ccccc2Br)C1 ZINC000512880060 564415350 /nfs/dbraw/zinc/41/53/50/564415350.db2.gz OKGGQMBWWXQEPC-QWHCGFSZSA-N 1 0 375.332 2.896 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)Nc2ccc(C(F)(F)F)c(Br)c2)CCO1 ZINC000568368015 564415356 /nfs/dbraw/zinc/41/53/56/564415356.db2.gz IOILDXZCMVXTGC-VIFPVBQESA-N 1 0 382.180 2.659 20 0 GFADRO CC1(CNC(=O)Nc2ccc(I)cc2F)CC[NH2+]CC1 ZINC000568414222 564417627 /nfs/dbraw/zinc/41/76/27/564417627.db2.gz FNTLJVUMRGOSEL-UHFFFAOYSA-N 1 0 391.228 2.942 20 0 GFADRO O[C@@H](COc1ccc(Cl)cc1Br)C[NH+]1CC2(C1)CCOCC2 ZINC000545342128 564417907 /nfs/dbraw/zinc/41/79/07/564417907.db2.gz FUYXFVNRSKTUJR-CYBMUJFWSA-N 1 0 390.705 2.955 20 0 GFADRO Cc1ccc(Br)c(S(=O)(=O)NCC[NH2+][C@H]2CCC[C@H]2C)c1 ZINC000513041143 564418695 /nfs/dbraw/zinc/41/86/95/564418695.db2.gz NDCCQEVAWHMNMN-OCCSQVGLSA-N 1 0 375.332 2.814 20 0 GFADRO C[N@H+](CCNC(=O)C(=O)NCCc1c(Cl)cccc1Cl)C1CCCC1 ZINC000479047920 564423292 /nfs/dbraw/zinc/42/32/92/564423292.db2.gz MGQSDGPDEHPJAY-UHFFFAOYSA-N 1 0 386.323 2.643 20 0 GFADRO C[C@H]1CCCC[N@@H+]1CCNC(=O)c1ccc(I)c(O)c1 ZINC000545454138 564423664 /nfs/dbraw/zinc/42/36/64/564423664.db2.gz SIKFIQXJMOKHRQ-NSHDSACASA-N 1 0 388.249 2.601 20 0 GFADRO Cc1c(Br)cccc1CC(=O)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000479094904 564424734 /nfs/dbraw/zinc/42/47/34/564424734.db2.gz YKHJGCKEFDYNPZ-UHFFFAOYSA-N 1 0 396.373 2.784 20 0 GFADRO NC(=O)[C@@H]1CCCN1CCC[NH2+][C@H](c1ccc(Br)cc1F)C1CC1 ZINC000479081845 564424992 /nfs/dbraw/zinc/42/49/92/564424992.db2.gz ROJPUDNEEIKTHK-IRXDYDNUSA-N 1 0 398.320 2.969 20 0 GFADRO CCCN(Cc1ccccc1Br)C(=O)CN1CC[NH+](CC)CC1 ZINC000513285111 564425760 /nfs/dbraw/zinc/42/57/60/564425760.db2.gz VGWZBPGIBJHSLR-UHFFFAOYSA-N 1 0 382.346 2.825 20 0 GFADRO Cc1cc(S(=O)(=O)N2CCC([C@H](C)[NH3+])CC2)c(F)cc1Br ZINC000568630307 564428156 /nfs/dbraw/zinc/42/81/56/564428156.db2.gz VTAOQWDERXJTQP-JTQLQIEISA-N 1 0 379.295 2.645 20 0 GFADRO COc1c(Cl)cc(Cl)cc1CN1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000513411421 564429290 /nfs/dbraw/zinc/42/92/90/564429290.db2.gz MOMLJJNUUXTMNO-UHFFFAOYSA-N 1 0 386.323 2.742 20 0 GFADRO CC[C@H](NC(=O)NC[C@@H]1C[NH2+]CCCO1)c1cc(F)cc(Br)c1 ZINC000568731018 564432170 /nfs/dbraw/zinc/43/21/70/564432170.db2.gz GSSFDKWTDWRTOC-GJZGRUSLSA-N 1 0 388.281 2.717 20 0 GFADRO Cc1cc(Br)cc(Cl)c1C(=O)NC[C@@H]1CCCC[N@@H+]1CCO ZINC000452799340 564432296 /nfs/dbraw/zinc/43/22/96/564432296.db2.gz QAAZUVSJSHBENS-ZDUSSCGKSA-N 1 0 389.721 2.988 20 0 GFADRO CCN(CCC[NH+]1CCCC1)C(=O)NCCCn1cc(Br)cn1 ZINC000513597146 564433013 /nfs/dbraw/zinc/43/30/13/564433013.db2.gz HMWNHKFDEAUNGX-UHFFFAOYSA-N 1 0 386.338 2.553 20 0 GFADRO Cc1c(C(=O)N[C@H](CC[NH3+])C(F)F)cnn1-c1cccc(Br)c1 ZINC000568761453 564433228 /nfs/dbraw/zinc/43/32/28/564433228.db2.gz UKJRKPNGAZACPG-CYBMUJFWSA-N 1 0 387.228 2.656 20 0 GFADRO CC[NH2+]CCCNC(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000568760639 564433305 /nfs/dbraw/zinc/43/33/05/564433305.db2.gz RYCQNOIKQAMDLY-AWEZNQCLSA-N 1 0 386.323 2.961 20 0 GFADRO CC1=CC[N@H+](CCNC(=O)c2cc(F)ccc2I)CC1 ZINC000545869533 564434845 /nfs/dbraw/zinc/43/48/45/564434845.db2.gz JKXXWDXCEWWQLY-UHFFFAOYSA-N 1 0 388.224 2.812 20 0 GFADRO COc1cc(C[NH2+]C[C@H]2COCCO2)cc(Br)c1OC(F)F ZINC000513632297 564435008 /nfs/dbraw/zinc/43/50/08/564435008.db2.gz OURGCJPPXIUNRD-JTQLQIEISA-N 1 0 382.201 2.564 20 0 GFADRO CC[NH+](CC)CCS(=O)(=O)N[C@@H](C)Cc1ccc(F)c(Br)c1 ZINC000568816676 564436163 /nfs/dbraw/zinc/43/61/63/564436163.db2.gz NMYWSBYSJGBEEQ-LBPRGKRZSA-N 1 0 395.338 2.780 20 0 GFADRO CC(=O)N1CCN(CC[NH2+][C@@H]2CC(C)(C)c3ccc(Br)cc32)CC1 ZINC000479366259 564437078 /nfs/dbraw/zinc/43/70/78/564437078.db2.gz XESFZNZGBSDUDQ-GOSISDBHSA-N 1 0 394.357 2.925 20 0 GFADRO COc1cc(OC)c(NC(=O)c2cc([C@@H]3CC[NH2+]C3)[nH]n2)cc1Br ZINC000568864045 564438158 /nfs/dbraw/zinc/43/81/58/564438158.db2.gz TZMBPLKZNFEOIX-SECBINFHSA-N 1 0 395.257 2.519 20 0 GFADRO CCOCCCN1CC[C@@H]([NH2+]Cc2ccc(S(=O)(=O)CC)s2)[C@H](C)C1 ZINC000479446069 564440541 /nfs/dbraw/zinc/44/05/41/564440541.db2.gz NKDUXRKQKOGYCX-NVXWUHKLSA-N 1 0 388.599 2.768 20 0 GFADRO CC(C)(C)OC1CC([NH+]2CCC(N(CC(F)(F)F)S(C)(=O)=O)CC2)C1 ZINC000568928160 564440678 /nfs/dbraw/zinc/44/06/78/564440678.db2.gz TWMRUFZTZBLZEZ-UHFFFAOYSA-N 1 0 386.480 2.621 20 0 GFADRO CC[N@@H+](Cc1cccc(Br)c1)C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000513896045 564441885 /nfs/dbraw/zinc/44/18/85/564441885.db2.gz QMKNQLQWXXHPEY-CQSZACIVSA-N 1 0 375.332 2.553 20 0 GFADRO C[C@@H]1CC[N@H+](CC(=O)NC[C@@H]2CCN(c3ccc(Br)cc3)C2)C1 ZINC000568997872 564444220 /nfs/dbraw/zinc/44/42/20/564444220.db2.gz OWLNOFNBQPLKRP-CABCVRRESA-N 1 0 380.330 2.733 20 0 GFADRO O=C1NC2(CCCC2)C(=O)N1CC[NH2+]Cc1cc(F)ccc1Br ZINC000479592740 564444430 /nfs/dbraw/zinc/44/44/30/564444430.db2.gz NMDUCEBIZPKCQQ-UHFFFAOYSA-N 1 0 384.249 2.542 20 0 GFADRO CO[C@@H]1CCN(CC(=O)Nc2ccc(Cl)cc2C(F)(F)F)[C@H](C[NH3+])C1 ZINC000569003126 564444552 /nfs/dbraw/zinc/44/45/52/564444552.db2.gz IZRZNDGZFJCBGH-NWDGAFQWSA-N 1 0 379.810 2.735 20 0 GFADRO C[NH+]1CCC(O)(CNC(=O)CCCC(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000514008563 564444857 /nfs/dbraw/zinc/44/48/57/564444857.db2.gz MHFIPSOXYXQMMB-UHFFFAOYSA-N 1 0 387.307 2.919 20 0 GFADRO CCCNC(=O)CC[NH2+][C@H](C)c1ccc(F)c(I)c1 ZINC000453067784 564445606 /nfs/dbraw/zinc/44/56/06/564445606.db2.gz MLYUJUKSVXERKH-SNVBAGLBSA-N 1 0 378.229 2.997 20 0 GFADRO C[C@@H]([NH2+][C@@H]1CCCCNC1=O)c1ccc(F)c(I)c1 ZINC000453073532 564445734 /nfs/dbraw/zinc/44/57/34/564445734.db2.gz GVICETOBJFYXOP-NOZJJQNGSA-N 1 0 376.213 2.750 20 0 GFADRO COC1([C@H](C)[NH2+]Cc2cc(Br)c3c(c2)OCCO3)CCOCC1 ZINC000453089772 564445996 /nfs/dbraw/zinc/44/59/96/564445996.db2.gz SGKPQHJSDVXKBT-LBPRGKRZSA-N 1 0 386.286 2.894 20 0 GFADRO C[C@H]([NH2+]CCN1CCOC[C@H]1C)c1ccc(F)c(I)c1 ZINC000453111205 564447272 /nfs/dbraw/zinc/44/72/72/564447272.db2.gz RDJZKMZPBYKAIF-NEPJUHHUSA-N 1 0 392.256 2.802 20 0 GFADRO CCOC(=O)[C@@H](C)[C@@H](C)[NH2+]CC(=O)N(C)Cc1ccccc1Br ZINC000514241002 564447449 /nfs/dbraw/zinc/44/74/49/564447449.db2.gz HPGRBPBOODOLRT-QWHCGFSZSA-N 1 0 385.302 2.585 20 0 GFADRO C[NH+](C)CCn1cc(NC(=O)Nc2ccc(Br)cc2)ccc1=O ZINC000479681992 564447906 /nfs/dbraw/zinc/44/79/06/564447906.db2.gz AAAKHOJDLCYRGQ-UHFFFAOYSA-N 1 0 379.258 2.816 20 0 GFADRO CCOC(=O)[C@@H](C)[C@@H](C)[NH2+]CC(=O)NCCc1cccc(Cl)c1Cl ZINC000514249016 564448763 /nfs/dbraw/zinc/44/87/63/564448763.db2.gz ZSFYUJKOPKDXMQ-NWDGAFQWSA-N 1 0 375.296 2.829 20 0 GFADRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)c1ccc(F)c(I)c1 ZINC000453162912 564449266 /nfs/dbraw/zinc/44/92/66/564449266.db2.gz KYNBVAYFWAOCBD-PXWWUCIGSA-N 1 0 390.240 2.996 20 0 GFADRO C[C@H]([NH2+]C[C@]1(O)CCO[C@@H]1C)c1ccc(F)c(I)c1 ZINC000453223271 564449573 /nfs/dbraw/zinc/44/95/73/564449573.db2.gz QUMOODHLBYGBMG-IMSIIYSGSA-N 1 0 379.213 2.621 20 0 GFADRO [NH3+][C@H]1C[C@H](NS(=O)(=O)c2ccc(-c3ccc(Br)cc3)cc2)C1 ZINC000479765023 564450441 /nfs/dbraw/zinc/45/04/41/564450441.db2.gz AVMGAKIQGHIYJM-SHTZXODSSA-N 1 0 381.295 2.884 20 0 GFADRO C[C@H]([NH2+]CCn1cc(Br)ccc1=O)c1ccc([S@@](C)=O)cc1 ZINC000453252880 564450479 /nfs/dbraw/zinc/45/04/79/564450479.db2.gz OOHJWVGKUJJEOG-AMXDTQDGSA-N 1 0 383.311 2.699 20 0 GFADRO CC[C@@](C)(C[NH2+][C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1)OC ZINC000453292711 564452778 /nfs/dbraw/zinc/45/27/78/564452778.db2.gz DBSKBRMRCULAJJ-HZMBPMFUSA-N 1 0 379.320 2.562 20 0 GFADRO C[C@@H]([NH3+])C[C@H](C)NC(=O)NCc1ccc(I)cc1Cl ZINC000514671666 564453539 /nfs/dbraw/zinc/45/35/39/564453539.db2.gz YQTMNTJZCZANGE-BDAKNGLRSA-N 1 0 395.672 2.870 20 0 GFADRO C[C@H]([NH2+]CCC[C@@H]1CCOC1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000453337261 564454117 /nfs/dbraw/zinc/45/41/17/564454117.db2.gz AUWUPUNMOGMOPP-NWDGAFQWSA-N 1 0 391.331 2.564 20 0 GFADRO C[C@@H]1CC[S@@](=O)CCN1C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000514706793 564454447 /nfs/dbraw/zinc/45/44/47/564454447.db2.gz ONOWVEAMAIHPOP-ITNZAGEZSA-N 1 0 383.583 2.513 20 0 GFADRO COc1c(Br)cc(Br)cc1CN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000479959668 564455911 /nfs/dbraw/zinc/45/59/11/564455911.db2.gz PKUXSGDACFEAFI-PHIMTYICSA-N 1 0 390.119 2.871 20 0 GFADRO C[C@@H]([NH2+]C[C@@]1(C)CCC(=O)N1)c1ccc(F)c(I)c1 ZINC000453433532 564457458 /nfs/dbraw/zinc/45/74/58/564457458.db2.gz SQDPLQVRBGIANS-YMTOWFKASA-N 1 0 376.213 2.750 20 0 GFADRO C[C@@H]([NH2+]C[C@H](N1CCOCC1)C(F)(F)F)c1cncc(Br)c1 ZINC000514798598 564458029 /nfs/dbraw/zinc/45/80/29/564458029.db2.gz JQBHBMKTWMUABP-MFKMUULPSA-N 1 0 382.224 2.758 20 0 GFADRO Cc1ccc(F)c(Br)c1NC(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000453575611 564458049 /nfs/dbraw/zinc/45/80/49/564458049.db2.gz KYELUBKAWPVGNU-STQMWFEESA-N 1 0 398.276 2.578 20 0 GFADRO C[C@@H]([NH2+]C[C@@H](N1CCOCC1)C(F)(F)F)c1cncc(Br)c1 ZINC000514798599 564458607 /nfs/dbraw/zinc/45/86/07/564458607.db2.gz JQBHBMKTWMUABP-ZWNOBZJWSA-N 1 0 382.224 2.758 20 0 GFADRO CCOc1cc(Br)ccc1NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC000569352853 564459897 /nfs/dbraw/zinc/45/98/97/564459897.db2.gz GQMXOKQIATXSCT-UHFFFAOYSA-N 1 0 381.274 2.858 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N2CC[C@]3(C2)CCC[NH2+]C3)c(Br)c1 ZINC000514847634 564460033 /nfs/dbraw/zinc/46/00/33/564460033.db2.gz HUORBPOMASWBNE-GOSISDBHSA-N 1 0 394.313 2.607 20 0 GFADRO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1c(C)ccc(F)c1Br ZINC000453647939 564462253 /nfs/dbraw/zinc/46/22/53/564462253.db2.gz SJZBVNVVHJOIDW-NSHDSACASA-N 1 0 388.281 2.682 20 0 GFADRO O=S1(=O)CC[C@H]([NH2+]C[C@@H]2CCC[C@H](O)C2)c2cc(Br)ccc21 ZINC000480197595 564463343 /nfs/dbraw/zinc/46/33/43/564463343.db2.gz LXMTWNCYHIAQMY-ZLDLUXBVSA-N 1 0 388.327 2.808 20 0 GFADRO O=S(=O)(Cc1cccc(Cl)c1)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000514966859 564463625 /nfs/dbraw/zinc/46/36/25/564463625.db2.gz SBRNIRDKTMWTDP-UHFFFAOYSA-N 1 0 386.945 2.604 20 0 GFADRO O=S1(=O)CC[C@H]([NH2+]CCCn2cccn2)c2cc(Br)ccc21 ZINC000480225569 564464725 /nfs/dbraw/zinc/46/47/25/564464725.db2.gz KJSLOWVKWAEVLT-AWEZNQCLSA-N 1 0 384.299 2.544 20 0 GFADRO CSC1(C[NH2+]C[C@@H](O)COc2cccc(C(F)(F)F)c2)CCOCC1 ZINC000569475591 564465078 /nfs/dbraw/zinc/46/50/78/564465078.db2.gz JVVJFSNTYPXESB-CQSZACIVSA-N 1 0 379.444 2.947 20 0 GFADRO C[NH+](C)C1(CNC(=O)C(=O)Nc2cc(Cl)cc(Br)c2)CCC1 ZINC000453696506 564466112 /nfs/dbraw/zinc/46/61/12/564466112.db2.gz UCVUWAJAHPRRAV-UHFFFAOYSA-N 1 0 388.693 2.642 20 0 GFADRO CC[NH+](CC)CCOCCNC(=O)N1CCc2cccc(Br)c2C1 ZINC000546748549 564466633 /nfs/dbraw/zinc/46/66/33/564466633.db2.gz OJGQKUINCLQRRA-UHFFFAOYSA-N 1 0 398.345 2.875 20 0 GFADRO Cc1cc(COc2ccc(C(=O)N(C)C3CC([NH3+])C3)cc2Br)no1 ZINC000515060257 564467810 /nfs/dbraw/zinc/46/78/10/564467810.db2.gz SIPOPGQWTGJDPF-UHFFFAOYSA-N 1 0 394.269 2.886 20 0 GFADRO CC[NH+]1CCC(CNC(=O)C(=O)Nc2ccc(C)c(Br)c2)CC1 ZINC000515094063 564469404 /nfs/dbraw/zinc/46/94/04/564469404.db2.gz XKPOVMLETNEMAK-UHFFFAOYSA-N 1 0 382.302 2.544 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)Nc2nc3c(cccc3Br)s2)CCCO1 ZINC000569574164 564469640 /nfs/dbraw/zinc/46/96/40/564469640.db2.gz NURRSASQBMZXBP-VIFPVBQESA-N 1 0 385.287 2.640 20 0 GFADRO Cc1cc(Br)cn2cc(CNC(=O)C[NH+]3[C@@H](C)CC[C@@H]3C)nc12 ZINC000546823356 564469676 /nfs/dbraw/zinc/46/96/76/564469676.db2.gz LQLXNUXAPTWXGF-STQMWFEESA-N 1 0 379.302 2.894 20 0 GFADRO C[N@@H+]1CC[C@](O)(CNC(=O)C(C)(C)COc2cc(Cl)cc(Cl)c2)C1 ZINC000480429440 564473716 /nfs/dbraw/zinc/47/37/16/564473716.db2.gz YDGADKAOGKFSBM-KRWDZBQOSA-N 1 0 375.296 2.581 20 0 GFADRO Cn1ccnc1Sc1ncc(C(=O)NC[C@@]2(C)CCC[NH2+]C2)cc1Cl ZINC000515351411 564476881 /nfs/dbraw/zinc/47/68/81/564476881.db2.gz OYBHTYAYMZCXGQ-KRWDZBQOSA-N 1 0 379.917 2.739 20 0 GFADRO CN1CCN(C(=O)Nc2cc(Br)cc(C(F)(F)F)c2)[C@@H](C[NH3+])C1 ZINC000515615760 564483892 /nfs/dbraw/zinc/48/38/92/564483892.db2.gz OZMXBIUYBBAYHJ-LBPRGKRZSA-N 1 0 395.223 2.575 20 0 GFADRO C[C@@H](CN(C)C(=O)NC[C@@H]1C[NH2+]CCCO1)Oc1ccc(Cl)c(Cl)c1 ZINC000569912445 564484032 /nfs/dbraw/zinc/48/40/32/564484032.db2.gz USHHNIYWOZEMBD-JSGCOSHPSA-N 1 0 390.311 2.781 20 0 GFADRO Cc1ccc(F)c(Br)c1NC(=O)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000453953747 564484735 /nfs/dbraw/zinc/48/47/35/564484735.db2.gz AXULJQTUXNUHMC-YOGCLGLASA-N 1 0 398.276 2.577 20 0 GFADRO C[C@H](CCc1ccc(Cl)s1)[NH2+]C[C@H]1CCCCN1S(=O)(=O)N(C)C ZINC000570005732 564486933 /nfs/dbraw/zinc/48/69/33/564486933.db2.gz VWRQRWXLNZKYGN-ZIAGYGMSSA-N 1 0 394.006 2.973 20 0 GFADRO CCn1c(CNC(=O)NC[C@@H]2CCC[NH2+]C2)nc2cc(Br)ccc21 ZINC000515811122 564487697 /nfs/dbraw/zinc/48/76/97/564487697.db2.gz SFMRXSMXILDWOD-GFCCVEGCSA-N 1 0 394.317 2.618 20 0 GFADRO Cn1cc2c(n1)CCC[C@@H]2[NH2+]C[C@H](O)COc1cccc(Br)c1 ZINC000570038577 564488272 /nfs/dbraw/zinc/48/82/72/564488272.db2.gz CAVQTSZPSPSXFL-BBRMVZONSA-N 1 0 380.286 2.590 20 0 GFADRO CN(CC1CC1)S(=O)(=O)N(CC[NH+]1CCCC1)Cc1ccc(Cl)cc1 ZINC000480837546 564490078 /nfs/dbraw/zinc/49/00/78/564490078.db2.gz KKIXMAZVMLJXMW-UHFFFAOYSA-N 1 0 385.961 2.824 20 0 GFADRO C[N@@H+]1CCC[C@@H]1CNC(=O)Nc1nnc(-c2cccc(Br)c2)s1 ZINC000547521641 564491591 /nfs/dbraw/zinc/49/15/91/564491591.db2.gz BXKKGIKGTSWSFL-GFCCVEGCSA-N 1 0 396.314 3.183 20 0 GFADRO OC[C@H](C[NH+]1CCCCC1)Nc1ncnc2cc(F)c(Br)cc21 ZINC000570159103 564494619 /nfs/dbraw/zinc/49/46/19/564494619.db2.gz QEAMNFGATFTKAR-NSHDSACASA-N 1 0 383.265 2.790 20 0 GFADRO CC1(C)CCC[N@@H+]1CCNC(=O)C(=O)Nc1c(F)cccc1Br ZINC000454063603 564495258 /nfs/dbraw/zinc/49/52/58/564495258.db2.gz BFHKRHAAERBZIR-UHFFFAOYSA-N 1 0 386.265 2.517 20 0 GFADRO CC1(C)CCC[N@@H+]1CCNC(=O)C(=O)Nc1ccc(Br)cc1F ZINC000454066807 564495460 /nfs/dbraw/zinc/49/54/60/564495460.db2.gz IXADGHZNKZJAGK-UHFFFAOYSA-N 1 0 386.265 2.517 20 0 GFADRO CS(=O)(=O)N1CCCC[C@@H]1C[NH2+][C@H]1CCc2sc(Br)cc21 ZINC000516199306 564496243 /nfs/dbraw/zinc/49/62/43/564496243.db2.gz YLNBFZGLWHIACQ-PWSUYJOCSA-N 1 0 393.372 2.902 20 0 GFADRO CN1CCN(c2cc[nH+]cc2NC(=O)Cc2ccc(Br)cc2)CC1 ZINC000516207089 564496809 /nfs/dbraw/zinc/49/68/09/564496809.db2.gz RKEFWAUEUFHEDV-UHFFFAOYSA-N 1 0 389.297 2.777 20 0 GFADRO O=C(Nc1nc(SCc2ccccc2)ns1)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000570262271 564497866 /nfs/dbraw/zinc/49/78/66/564497866.db2.gz DNVMNKFDZNPULM-KBPBESRZSA-N 1 0 375.523 2.904 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000454106696 564497841 /nfs/dbraw/zinc/49/78/41/564497841.db2.gz QXBOMNQSLSPCET-OAHLLOKOSA-N 1 0 396.329 2.946 20 0 GFADRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)c1ccc(C(F)(F)F)cn1 ZINC000480983739 564499010 /nfs/dbraw/zinc/49/90/10/564499010.db2.gz BVSRDYOFDARWPX-XQQFMLRXSA-N 1 0 379.448 2.745 20 0 GFADRO CN(C)CC[N@H+](C)CCCN(C)C(=O)[C@@H]1C[C@@H]1c1cccc(Br)c1 ZINC000516511373 564503576 /nfs/dbraw/zinc/50/35/76/564503576.db2.gz SUHBWTMCRWHXHT-QZTJIDSGSA-N 1 0 396.373 2.895 20 0 GFADRO C[N@@H+]1CCN(Cc2csc(-c3ccc(S(C)(=O)=O)cc3)n2)CC1(C)C ZINC000570384082 564503849 /nfs/dbraw/zinc/50/38/49/564503849.db2.gz YFXSJWBJFWARHS-UHFFFAOYSA-N 1 0 379.551 2.740 20 0 GFADRO CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N[C@@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000481110095 564504124 /nfs/dbraw/zinc/50/41/24/564504124.db2.gz RCXBXROTGGOBTE-KBPBESRZSA-N 1 0 385.961 2.987 20 0 GFADRO Cc1nc(CNC(=O)NCC[N@H+]2CCC[C@H](C)C2)sc1Br ZINC000454313485 564505662 /nfs/dbraw/zinc/50/56/62/564505662.db2.gz HVBNTTTVJXATAL-JTQLQIEISA-N 1 0 375.336 2.745 20 0 GFADRO O=S(=O)(c1ccc(Cl)cc1Br)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000516570584 564506265 /nfs/dbraw/zinc/50/62/65/564506265.db2.gz UZIHQEUSQIMCEP-AWEZNQCLSA-N 1 0 393.734 2.867 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)N[C@@H](C)C[N@@H+](C)C(C)C ZINC000516607616 564506806 /nfs/dbraw/zinc/50/68/06/564506806.db2.gz WKVLYGKMLPUFQA-ZDUSSCGKSA-N 1 0 384.318 2.849 20 0 GFADRO N[C@@H](C(=O)NC[C@H]1CCCCN1Cc1cccc(Cl)c1)c1cscn1 ZINC000516647990 564507695 /nfs/dbraw/zinc/50/76/95/564507695.db2.gz HBYPZRLHDNHKBQ-NVXWUHKLSA-N 1 0 378.929 2.967 20 0 GFADRO O=C1[C@@H]([NH2+]C[C@@H](O)COCc2cccs2)CCN1c1ccc(Cl)cc1 ZINC000570508800 564508802 /nfs/dbraw/zinc/50/88/02/564508802.db2.gz LPVDTCWPOFEOCP-WBVHZDCISA-N 1 0 380.897 2.674 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H](CNC(=O)CCNC(=O)Nc2ccc(Br)cc2)C1 ZINC000570508070 564509019 /nfs/dbraw/zinc/50/90/19/564509019.db2.gz JFQHCWZLOLFJGA-TZMCWYRMSA-N 1 0 397.317 2.594 20 0 GFADRO Cc1csc(Sc2ccc(NC(=O)N3CCN(C)C[C@@H]3C[NH3+])cc2)n1 ZINC000570542767 564511170 /nfs/dbraw/zinc/51/11/70/564511170.db2.gz ZECUSLUEQDIHTJ-AWEZNQCLSA-N 1 0 377.539 2.709 20 0 GFADRO Cc1ccc(C)c(OC[C@H](O)C[NH2+]CCCn2cc(Br)cn2)c1C ZINC000570564756 564512001 /nfs/dbraw/zinc/51/20/01/564512001.db2.gz CNAXWXOIWIRTTI-QGZVFWFLSA-N 1 0 396.329 2.990 20 0 GFADRO CCC[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl ZINC000547833097 564512279 /nfs/dbraw/zinc/51/22/79/564512279.db2.gz WLVKKGNTGYWOTH-IUODEOHRSA-N 1 0 387.933 2.874 20 0 GFADRO CC[N@H+](CCNS(=O)(=O)c1cc(Br)c(F)cc1OC)C(C)C ZINC000516785087 564512608 /nfs/dbraw/zinc/51/26/08/564512608.db2.gz FMADOBHLPLBJAS-UHFFFAOYSA-N 1 0 397.310 2.605 20 0 GFADRO C[C@@]1(C[NH3+])CCN(S(=O)(=O)Cc2cc(Cl)ccc2Br)C1 ZINC000570569464 564513025 /nfs/dbraw/zinc/51/30/25/564513025.db2.gz UUEVKEKMDUXZSM-ZDUSSCGKSA-N 1 0 381.723 2.603 20 0 GFADRO C[C@H](C[C@H](C)[NH3+])NC(=O)NC[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000570567851 564513059 /nfs/dbraw/zinc/51/30/59/564513059.db2.gz VZUNRLCXPHAQHC-MJBXVCDLSA-N 1 0 383.334 2.700 20 0 GFADRO CCC[N@H+](CC)C[C@@H](C)NC(=O)C(=O)Nc1c(F)cccc1Br ZINC000516919515 564516936 /nfs/dbraw/zinc/51/69/36/564516936.db2.gz MOGXADVDWMTRQC-LLVKDONJSA-N 1 0 388.281 2.763 20 0 GFADRO CC[NH+](CC)CCN(C(=O)C1CCOCC1)c1ccc(Br)cn1 ZINC000516948838 564517902 /nfs/dbraw/zinc/51/79/02/564517902.db2.gz MBNPQWPWXXWURG-UHFFFAOYSA-N 1 0 384.318 2.946 20 0 GFADRO CC[C@H]([NH2+][C@H]1CN(C2CC2)C[C@@H]1C)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000481665786 564518704 /nfs/dbraw/zinc/51/87/04/564518704.db2.gz DJNPDPTZQCEIOI-ZLIFDBKOSA-N 1 0 385.961 2.772 20 0 GFADRO CS[C@H]1CN(C(=O)c2cc(C)n(-c3ccc(Cl)cc3)n2)C[C@H]1[NH+](C)C ZINC000481724711 564521024 /nfs/dbraw/zinc/52/10/24/564521024.db2.gz NDOYRQGADLYKHE-SJORKVTESA-N 1 0 378.929 2.952 20 0 GFADRO COc1cc(I)c(Cl)cc1C[NH2+][C@H]1CN(C)C[C@@H]1C ZINC000481734376 564521257 /nfs/dbraw/zinc/52/12/57/564521257.db2.gz WFZPKCZBTQEQET-ZANVPECISA-N 1 0 394.684 2.993 20 0 GFADRO C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)c1ccc(-n2cc(Br)cn2)cc1 ZINC000517025081 564521917 /nfs/dbraw/zinc/52/19/17/564521917.db2.gz QXDATVDJZQXFII-HSMVNMDESA-N 1 0 377.286 2.751 20 0 GFADRO C[N@@H+]1CCC[C@H]1CNC(=O)Nc1cc(F)c(I)c(F)c1 ZINC000517103549 564524129 /nfs/dbraw/zinc/52/41/29/564524129.db2.gz HIXMDQQNQHZCFM-VIFPVBQESA-N 1 0 395.191 2.785 20 0 GFADRO C[NH+](C)[C@@]1(CNC(=O)N2CCO[C@@H](c3ccccc3Cl)C2)CCSC1 ZINC000481788963 564524428 /nfs/dbraw/zinc/52/44/28/564524428.db2.gz PCJHAHUHPMMNQD-SJLPKXTDSA-N 1 0 383.945 2.860 20 0 GFADRO CC[C@H](Cc1ccccc1Br)[N@H+](C)CCC(=O)N(C)CC(=O)OC ZINC000481838155 564524998 /nfs/dbraw/zinc/52/49/98/564524998.db2.gz PRFYKYOIZCYZRG-OAHLLOKOSA-N 1 0 399.329 2.724 20 0 GFADRO O=C(Cc1ccc(I)cc1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000517234300 564528428 /nfs/dbraw/zinc/52/84/28/564528428.db2.gz DRVOKTHWHHGLSB-HNNXBMFYSA-N 1 0 398.288 2.682 20 0 GFADRO [NH3+]CC[C@H](NC(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1)C(F)F ZINC000570962854 564529478 /nfs/dbraw/zinc/52/94/78/564529478.db2.gz KQNRVPNLOHNPBI-STQMWFEESA-N 1 0 394.249 2.697 20 0 GFADRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)Cc2ccc(Br)cc2O)C1 ZINC000548076965 564530496 /nfs/dbraw/zinc/53/04/96/564530496.db2.gz ATRZCJONMXLIFL-MRXNPFEDSA-N 1 0 399.329 2.657 20 0 GFADRO CC[N@@H+]1CCCN(C(=O)C(=O)N[C@H]2CCSc3ccc(Cl)cc32)CC1 ZINC000517345511 564531149 /nfs/dbraw/zinc/53/11/49/564531149.db2.gz ZFKOLHCJTZACHL-HNNXBMFYSA-N 1 0 381.929 2.547 20 0 GFADRO C[NH+](C)C1CCN(CCNC(=O)CCOc2cccc(Cl)c2Cl)CC1 ZINC000482004298 564531435 /nfs/dbraw/zinc/53/14/35/564531435.db2.gz VVVTZDILWSDMNE-UHFFFAOYSA-N 1 0 388.339 2.905 20 0 GFADRO C[NH+](C)CC(C)(C)NC(=O)Nc1cccc(F)c1I ZINC000455025070 564532538 /nfs/dbraw/zinc/53/25/38/564532538.db2.gz OUPOQLVARQMQMU-UHFFFAOYSA-N 1 0 379.217 2.892 20 0 GFADRO O=S(=O)(NCC1([NH+]2CCSCC2)CCCCC1)c1cc(F)ccc1F ZINC000482082836 564534129 /nfs/dbraw/zinc/53/41/29/564534129.db2.gz YVOVJUMPCHUANG-UHFFFAOYSA-N 1 0 390.521 2.995 20 0 GFADRO O=C(NC[C@H]1CCCC[N@H+]1CCO)Nc1ccc(Cl)c(OC(F)F)c1 ZINC000455107463 564537042 /nfs/dbraw/zinc/53/70/42/564537042.db2.gz NVTGFQCQRLRVSB-GFCCVEGCSA-N 1 0 377.819 2.910 20 0 GFADRO O=C(Nc1ccc(Cl)cc1OC(F)F)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000455139443 564539013 /nfs/dbraw/zinc/53/90/13/564539013.db2.gz JRFOHMBRDUVSDB-LBPRGKRZSA-N 1 0 377.819 2.910 20 0 GFADRO O=C(NCCc1c[nH]c2cccc(Br)c12)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000571184426 564540134 /nfs/dbraw/zinc/54/01/34/564540134.db2.gz YUUMEPHKPZRQTA-JSGCOSHPSA-N 1 0 391.313 2.724 20 0 GFADRO CO[C@@H](CS(=O)(=O)Nc1ccc(CN(C)C)c(Br)c1)C1CC1 ZINC000571208705 564541211 /nfs/dbraw/zinc/54/12/11/564541211.db2.gz FYOOFBNWPVKALO-HNNXBMFYSA-N 1 0 391.331 2.677 20 0 GFADRO CC[NH+](CC)CC[C@@H](CO)NC(=O)c1cc(Br)c(C)cc1OC ZINC000517960792 564544178 /nfs/dbraw/zinc/54/41/78/564544178.db2.gz OJZVOONJGJCKCN-ZDUSSCGKSA-N 1 0 387.318 2.589 20 0 GFADRO O=S(=O)(c1ccccc1)N1CC[C@H]([NH2+]CCSCc2ccccc2)C1 ZINC000517950313 564544274 /nfs/dbraw/zinc/54/42/74/564544274.db2.gz NGXBRGBNOCCWKG-SFHVURJKSA-N 1 0 376.547 2.973 20 0 GFADRO Cn1c2cc(Br)ccc2nc1C[N@@H+]1CCCC[C@H]1[C@@H]1CNC(=O)C1 ZINC000548275323 564546560 /nfs/dbraw/zinc/54/65/60/564546560.db2.gz LCMZTSSTDCQFDG-WFASDCNBSA-N 1 0 391.313 2.826 20 0 GFADRO COCC[N@H+](C)C[C@H](O)CN1CCC[C@H]1c1ccc(Br)c(F)c1 ZINC000518210997 564548237 /nfs/dbraw/zinc/54/82/37/564548237.db2.gz AXMLEFKJGQNQAK-YOEHRIQHSA-N 1 0 389.309 2.664 20 0 GFADRO C[C@@H]1C[C@H]1[N@@H+]1CCN(C(=O)c2cn3ccc(Br)cc3n2)C[C@@H](C)C1 ZINC000571391034 564549401 /nfs/dbraw/zinc/54/94/01/564549401.db2.gz VASIWTZPQQLXDI-WOSRLPQWSA-N 1 0 391.313 2.899 20 0 GFADRO C[C@H]([NH3+])[C@H](C)NC(=O)c1cccc(Br)c1I ZINC000571402839 564549904 /nfs/dbraw/zinc/54/99/04/564549904.db2.gz GQEQBWCVFZFJHT-BQBZGAKWSA-N 1 0 397.054 2.519 20 0 GFADRO Cc1cc(S(=O)(=O)NC[C@H](C)[NH+]2CCCC2)c(C)cc1Br ZINC000548370654 564549928 /nfs/dbraw/zinc/54/99/28/564549928.db2.gz IVZKCBGPZHZYBO-ZDUSSCGKSA-N 1 0 375.332 2.829 20 0 GFADRO CC[C@H]([NH2+]CCS(=O)(=O)c1cccc(Br)c1)[C@H](O)C(C)C ZINC000571445292 564551896 /nfs/dbraw/zinc/55/18/96/564551896.db2.gz JYHDRJWPYZJEJU-LSDHHAIUSA-N 1 0 378.332 2.608 20 0 GFADRO CC(C)[C@](C)(C[NH3+])NC(=O)Nc1ccc(I)cc1F ZINC000571464546 564552453 /nfs/dbraw/zinc/55/24/53/564552453.db2.gz XOZRJFWVLXKRKO-ZDUSSCGKSA-N 1 0 379.217 2.925 20 0 GFADRO CN(CCCN1CC[NH+](C)CC1)C(=O)CCOc1cccc(Cl)c1Cl ZINC000518422076 564553095 /nfs/dbraw/zinc/55/30/95/564553095.db2.gz GGQUFCFQCBTFQR-UHFFFAOYSA-N 1 0 388.339 2.858 20 0 GFADRO COCCOc1ccc(Br)cc1NC(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000571504491 564554331 /nfs/dbraw/zinc/55/43/31/564554331.db2.gz FWFZWGIAYXOJME-LBPRGKRZSA-N 1 0 386.290 2.677 20 0 GFADRO OCc1cn(CCC[NH2+][C@H](c2ccco2)c2ccc(Br)cc2)nn1 ZINC000518447408 564554523 /nfs/dbraw/zinc/55/45/23/564554523.db2.gz WRFKITTYOIJPBM-KRWDZBQOSA-N 1 0 391.269 2.895 20 0 GFADRO C[N@H+](CC(=O)N[C@H](CCO)c1ccc(Cl)c(Cl)c1)[C@H]1CCSC1 ZINC000518505251 564555505 /nfs/dbraw/zinc/55/55/05/564555505.db2.gz NGVJWABSMYXRCW-SWLSCSKDSA-N 1 0 377.337 2.970 20 0 GFADRO CCC[N@@H+]1CCC[C@H]1C(=O)N(CCO)Cc1ccc(Br)s1 ZINC000482997784 564555846 /nfs/dbraw/zinc/55/58/46/564555846.db2.gz RGLUNLLBTZAGAD-ZDUSSCGKSA-N 1 0 375.332 2.706 20 0 GFADRO O=C(Nc1ccc(I)cc1F)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000571539624 564555884 /nfs/dbraw/zinc/55/58/84/564555884.db2.gz ZZDGXODTTCFNBT-SKDRFNHKSA-N 1 0 389.212 2.646 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CC[NH2+]C[C@](C)(O)C(F)(F)F ZINC000571551432 564555999 /nfs/dbraw/zinc/55/59/99/564555999.db2.gz MOGSXSMEFJLPMG-ZDUSSCGKSA-N 1 0 383.208 2.989 20 0 GFADRO C[C@]1(CNC(=O)[C@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)CCC[NH2+]C1 ZINC000518532072 564556445 /nfs/dbraw/zinc/55/64/45/564556445.db2.gz SNEMRDKQOKAGCE-ACJLOTCBSA-N 1 0 384.307 2.852 20 0 GFADRO Cc1csc(C(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)c1I ZINC000571558351 564557519 /nfs/dbraw/zinc/55/75/19/564557519.db2.gz VZFUXOQBVRGIHQ-NXEZZACHSA-N 1 0 378.279 2.861 20 0 GFADRO CCCC[C@@](C)([NH2+]CCNS(C)(=O)=O)c1cccc(Br)c1 ZINC000483069151 564557719 /nfs/dbraw/zinc/55/77/19/564557719.db2.gz LRAVEOSQMURJNH-OAHLLOKOSA-N 1 0 377.348 2.993 20 0 GFADRO C[C@@H](C[NH2+]CC1(c2cccc(C(F)(F)F)c2)CCOCC1)S(C)(=O)=O ZINC000571633183 564559774 /nfs/dbraw/zinc/55/97/74/564559774.db2.gz ZSZKVVOQVHBIBG-ZDUSSCGKSA-N 1 0 379.444 2.776 20 0 GFADRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)CNC(=O)c1ccc(Cl)c(Cl)c1 ZINC000518743400 564560656 /nfs/dbraw/zinc/56/06/56/564560656.db2.gz CRKIWCIOCVNZGV-LRDDRELGSA-N 1 0 384.307 2.808 20 0 GFADRO Cc1ccc(F)c(Br)c1NC(=O)NC[C@@H]1CCCC[N@@H+]1CCO ZINC000455688019 564564948 /nfs/dbraw/zinc/56/49/48/564564948.db2.gz ALYKYNDZFSWUOQ-LBPRGKRZSA-N 1 0 388.281 2.865 20 0 GFADRO COc1ccc(C)cc1C[NH2+]C[C@H]1CCN(S(=O)(=O)c2cccs2)C1 ZINC000519011404 564567384 /nfs/dbraw/zinc/56/73/84/564567384.db2.gz VWOGQJMCSPHLBV-OAHLLOKOSA-N 1 0 380.535 2.866 20 0 GFADRO Cc1ccc(F)c(Br)c1NC(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000455759227 564569794 /nfs/dbraw/zinc/56/97/94/564569794.db2.gz WQBNVCZUEBUFEB-GFCCVEGCSA-N 1 0 388.281 2.865 20 0 GFADRO NC(=O)[C@H]1CC[C@H](C[NH2+]C[C@@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000571875734 564570775 /nfs/dbraw/zinc/57/07/75/564570775.db2.gz WYQOENQVCPQSQH-JHJVBQTASA-N 1 0 375.296 2.614 20 0 GFADRO Fc1cc(Br)cc(CN2CC[NH+](C[C@H]3CCOC3)CC2)c1F ZINC000519161948 564571241 /nfs/dbraw/zinc/57/12/41/564571241.db2.gz UNJBURUIIQPPJS-GFCCVEGCSA-N 1 0 375.257 2.881 20 0 GFADRO O=C(NCC[NH+]1CCC1)NCc1cc(Br)ccc1Br ZINC000483637034 564572199 /nfs/dbraw/zinc/57/21/99/564572199.db2.gz KLISOTNGODJPGQ-UHFFFAOYSA-N 1 0 391.107 2.717 20 0 GFADRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)Nc1c(F)ccc(C)c1Br ZINC000483739143 564573873 /nfs/dbraw/zinc/57/38/73/564573873.db2.gz FUQKQLMZUISECH-LLVKDONJSA-N 1 0 388.281 2.682 20 0 GFADRO Cc1ccc(-c2csc(NC(=O)C(=O)NC[C@H](C)[NH+]3CCCC3)n2)s1 ZINC000548808596 564575902 /nfs/dbraw/zinc/57/59/02/564575902.db2.gz WFVLYNXFMQTPAY-NSHDSACASA-N 1 0 378.523 2.719 20 0 GFADRO O=C(N[C@H]1CC[N@@H+](C2CC2)C1)N[C@@H]1CCOc2c(Br)cccc21 ZINC000548822841 564576700 /nfs/dbraw/zinc/57/67/00/564576700.db2.gz AQESGRZMSNALAJ-XHDPSFHLSA-N 1 0 380.286 2.809 20 0 GFADRO CC(C)[N@H+](C)C[C@@H](C)NC(=O)NCCC(=O)Nc1ccc(Br)cc1 ZINC000572057994 564579773 /nfs/dbraw/zinc/57/97/73/564579773.db2.gz JDULLAPPPXCBSU-CYBMUJFWSA-N 1 0 399.333 2.806 20 0 GFADRO O=C(CCNC(=O)[C@H]1CCC[NH2+]1)Nc1nc(-c2ccc(Cl)cc2)cs1 ZINC000519537807 564580600 /nfs/dbraw/zinc/58/06/00/564580600.db2.gz HQKDUZMCWNXJHQ-CYBMUJFWSA-N 1 0 378.885 2.660 20 0 GFADRO COc1cccc(C[NH2+]C[C@H](O)COc2ccc(Br)cc2)c1OC ZINC000548926528 564581069 /nfs/dbraw/zinc/58/10/69/564581069.db2.gz WSGJCESQTZNTLB-HNNXBMFYSA-N 1 0 396.281 2.996 20 0 GFADRO C[NH+]1CCC(Oc2ccc(Cl)cc2NC(=O)NC[C@H](O)C(F)F)CC1 ZINC000455939009 564581343 /nfs/dbraw/zinc/58/13/43/564581343.db2.gz GHUJIZNQKQOPHN-ZDUSSCGKSA-N 1 0 377.819 2.561 20 0 GFADRO CN(C(=O)c1ccnc(C[NH3+])c1)[C@H]1CCOc2ccc(Br)cc21 ZINC000519596100 564582377 /nfs/dbraw/zinc/58/23/77/564582377.db2.gz GTGSEJUNEOYEDG-HNNXBMFYSA-N 1 0 376.254 2.899 20 0 GFADRO CC[NH2+]CCCNC(=O)NC[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000572134907 564582536 /nfs/dbraw/zinc/58/25/36/564582536.db2.gz HPEUPLFLLCVZNA-AWEZNQCLSA-N 1 0 383.334 2.574 20 0 GFADRO C[C@@H](CCNC(=O)c1ccc(I)cn1)[NH+]1CCCCC1 ZINC000456006347 564583786 /nfs/dbraw/zinc/58/37/86/564583786.db2.gz MEKLPPZMTCOOAI-LBPRGKRZSA-N 1 0 387.265 2.681 20 0 GFADRO C[C@@H](O)C[N@H+](C)C1CCN(C(=O)[C@@H]2C[C@H]2c2cccc(Br)c2)CC1 ZINC000456014861 564584226 /nfs/dbraw/zinc/58/42/26/564584226.db2.gz GYYQVBNHFYSDCC-JEBQAFNWSA-N 1 0 395.341 2.856 20 0 GFADRO O=C(NC[C@H]1CCC[N@H+]1CCCO)[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000456034350 564585326 /nfs/dbraw/zinc/58/53/26/564585326.db2.gz QGZPKGRNHSKOKE-IXDOHACOSA-N 1 0 381.314 2.516 20 0 GFADRO CC(C)c1ccccc1OC[C@@H](O)C[NH2+]CCn1cc(Br)cn1 ZINC000519637341 564585401 /nfs/dbraw/zinc/58/54/01/564585401.db2.gz PASHQTNNJJSQAP-HNNXBMFYSA-N 1 0 382.302 2.799 20 0 GFADRO CO[C@H]1C[C@@H](CN(C)C(=O)[C@@H]2C[C@H]2c2cccc(Br)c2)[N@H+](C)C1 ZINC000456049920 564585879 /nfs/dbraw/zinc/58/58/79/564585879.db2.gz HVFCYIXWXJKRAC-LUKYLMHMSA-N 1 0 381.314 2.730 20 0 GFADRO C[C@@H](CCO)C1(C[NH2+]C[C@@H](O)COc2ccc(Br)cc2)CCC1 ZINC000572243228 564587107 /nfs/dbraw/zinc/58/71/07/564587107.db2.gz RHMYGGXLHONCIQ-GOEBONIOSA-N 1 0 386.330 2.967 20 0 GFADRO C[C@H](CCS(C)(=O)=O)[NH2+][C@@H](C)c1ccccc1I ZINC000484399708 564587460 /nfs/dbraw/zinc/58/74/60/564587460.db2.gz PADPMORYLYKXAW-MNOVXSKESA-N 1 0 381.279 2.765 20 0 GFADRO CC(C)c1n[nH]c(C(=O)N2CCc3ccccc3[C@@H]2C[NH3+])c1Br ZINC000519714488 564588000 /nfs/dbraw/zinc/58/80/00/564588000.db2.gz ZNXSHPJFMKHQKI-ZDUSSCGKSA-N 1 0 377.286 2.994 20 0 GFADRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N1CCOc2ccc(Br)cc2C1 ZINC000549224960 564588834 /nfs/dbraw/zinc/58/88/34/564588834.db2.gz VEOUQFPURPRAIX-BLLLJJGKSA-N 1 0 394.313 2.836 20 0 GFADRO C[C@@H]([NH2+]C1CC1)C(=O)N1CCC(C(=O)Nc2ccccc2Br)CC1 ZINC000572359589 564591419 /nfs/dbraw/zinc/59/14/19/564591419.db2.gz OGOULXSUWZYVHN-GFCCVEGCSA-N 1 0 394.313 2.767 20 0 GFADRO CN(C)c1cc(Cl)cc(Cl)c1C[NH2+]CC1CCN(S(C)(=O)=O)CC1 ZINC000519856352 564593851 /nfs/dbraw/zinc/59/38/51/564593851.db2.gz IIUSFVHCDXXBNV-UHFFFAOYSA-N 1 0 394.368 2.821 20 0 GFADRO CCO[C@H]1COCC[C@@H]1[NH2+]Cc1cc2c(cc1Br)OCCCO2 ZINC000484658801 564594618 /nfs/dbraw/zinc/59/46/18/564594618.db2.gz XEHNNEBTHZTNGA-YOEHRIQHSA-N 1 0 386.286 2.894 20 0 GFADRO CC[NH+](CC)C[C@H](C)NC(=O)c1nnn(-c2cccc(Br)c2)c1C ZINC000519995328 564596052 /nfs/dbraw/zinc/59/60/52/564596052.db2.gz KEMYFIWELZZQOG-LBPRGKRZSA-N 1 0 394.317 2.798 20 0 GFADRO Cc1cc(N2CCC[C@H]([N@@H+]3C[C@@H](C)[C@H](CO)C3)C2=O)ccc1Br ZINC000484724389 564596110 /nfs/dbraw/zinc/59/61/10/564596110.db2.gz DEJQKUDQABOKFK-KEYYUXOJSA-N 1 0 381.314 2.813 20 0 GFADRO O=C(N[C@@H]1C[C@H]1c1cccc(Br)c1)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000572466758 564596158 /nfs/dbraw/zinc/59/61/58/564596158.db2.gz DRWWQNJPUKTXIT-LZDOMEQBSA-N 1 0 378.314 2.992 20 0 GFADRO CC[NH+](CC)C[C@@H](C)NC(=O)NC[C@@H](O)COc1cccc(Cl)c1Cl ZINC000519974373 564596164 /nfs/dbraw/zinc/59/61/64/564596164.db2.gz WGYISAYRKGMSRS-CHWSQXEVSA-N 1 0 392.327 2.763 20 0 GFADRO CCCCOc1ccc(C[NH2+]CC2(O)CCS(=O)(=O)CC2)cc1Cl ZINC000572476471 564596306 /nfs/dbraw/zinc/59/63/06/564596306.db2.gz ZPIKUUPTJNABRQ-UHFFFAOYSA-N 1 0 375.918 2.548 20 0 GFADRO C[C@H]1C[C@@H](C(=O)Nc2cc(N3CCOCC3)ccc2Br)CC[N@@H+]1C ZINC000456309824 564599718 /nfs/dbraw/zinc/59/97/18/564599718.db2.gz QLEOAJHUEZRNKH-KBPBESRZSA-N 1 0 396.329 2.955 20 0 GFADRO C[C@H](NC(=O)[C@H](C)[NH2+]C1CC1)c1nc(-c2ccc(Br)cc2)no1 ZINC000520226189 564600061 /nfs/dbraw/zinc/60/00/61/564600061.db2.gz ATFHTYLSJNJHKE-UWVGGRQHSA-N 1 0 379.258 2.817 20 0 GFADRO C[C@@H]1C[N@H+](C)CCN1c1ccc(Br)cc1NC(=O)CC(C)(C)O ZINC000456361986 564602164 /nfs/dbraw/zinc/60/21/64/564602164.db2.gz DGXFIGXWCCFAJD-GFCCVEGCSA-N 1 0 384.318 2.689 20 0 GFADRO C[C@@H]1C[N@H+](C)CCN1c1ccc(Br)cc1NC(=O)c1cnn(C)c1 ZINC000456365217 564602269 /nfs/dbraw/zinc/60/22/69/564602269.db2.gz HPPZKIKKFYXIAV-GFCCVEGCSA-N 1 0 392.301 2.575 20 0 GFADRO O[C@H](C[NH2+][C@@H]1CCO[C@H](C2CC2)C1)COc1cc(F)cc(Br)c1 ZINC000572632725 564603347 /nfs/dbraw/zinc/60/33/47/564603347.db2.gz PCTXZNHTDQDLSP-INMHGKMJSA-N 1 0 388.277 2.875 20 0 GFADRO COc1cc(Br)c(CN2C[C@H](SC)[C@@H]([NH+](C)C)C2)cc1OC ZINC000520441980 564604762 /nfs/dbraw/zinc/60/47/62/564604762.db2.gz GCNZOBDDAQQXSZ-BBRMVZONSA-N 1 0 389.359 2.944 20 0 GFADRO C[C@H]1C[N@H+](C)CCN1c1ccc(Br)cc1NC(=O)[C@@H]1CCOC1 ZINC000456381130 564604757 /nfs/dbraw/zinc/60/47/57/564604757.db2.gz WOLHXVBWQRXSBY-QWHCGFSZSA-N 1 0 382.302 2.564 20 0 GFADRO CC(C)N(C)C[C@H](C)[NH2+][C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000572685772 564605404 /nfs/dbraw/zinc/60/54/04/564605404.db2.gz IFWOGBJZKWAMMP-SWLSCSKDSA-N 1 0 389.359 2.986 20 0 GFADRO C[C@@]1(C(=O)N2CCC(C(=O)Nc3ccccc3Br)CC2)CCC[NH2+]1 ZINC000572713561 564607267 /nfs/dbraw/zinc/60/72/67/564607267.db2.gz XNHPPHUDECWFGZ-SFHVURJKSA-N 1 0 394.313 2.768 20 0 GFADRO O=C(NCC[C@H]1CCC[NH2+]1)N1CCO[C@@H](c2cccc(Br)c2)C1 ZINC000572739917 564607915 /nfs/dbraw/zinc/60/79/15/564607915.db2.gz QIJJUJFITRJDRD-HZPDHXFCSA-N 1 0 382.302 2.674 20 0 GFADRO [NH3+]CCCOC1CCN([C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)CC1 ZINC000520584228 564608208 /nfs/dbraw/zinc/60/82/08/564608208.db2.gz HTMJTXJMNPJIJP-KRWDZBQOSA-N 1 0 386.323 2.929 20 0 GFADRO Cc1ccc(C[C@@H](CO)CNC(=O)[C@H](C(C)C)[NH+](C)C)cc1Br ZINC000456480998 564609745 /nfs/dbraw/zinc/60/97/45/564609745.db2.gz DSIMTBJBYVEFKL-WBVHZDCISA-N 1 0 385.346 2.611 20 0 GFADRO CCC[C@@H](C(=O)NC[C@@H](CO)Cc1ccc(C)c(Br)c1)[NH+](C)C ZINC000456486012 564611415 /nfs/dbraw/zinc/61/14/15/564611415.db2.gz IEUSQNHVXKJBHG-RDJZCZTQSA-N 1 0 385.346 2.755 20 0 GFADRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)C(=O)NCCSc2ccc(Cl)cc2)C1 ZINC000550098357 564614690 /nfs/dbraw/zinc/61/46/90/564614690.db2.gz RPQPUMNVPBDCKF-CABCVRRESA-N 1 0 383.945 2.537 20 0 GFADRO C[NH+](C)CCN(CC(=O)OC(C)(C)C)C(=O)c1cscc1Br ZINC000520854706 564614923 /nfs/dbraw/zinc/61/49/23/564614923.db2.gz OWRDTXKUPOOBFI-UHFFFAOYSA-N 1 0 391.331 2.856 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2C(=O)Cc1cscc1Br ZINC000485432382 564615776 /nfs/dbraw/zinc/61/57/76/564615776.db2.gz CCQDFUGITRDXHX-VHDGCEQUSA-N 1 0 387.343 2.763 20 0 GFADRO CC[C@H](C)[NH+]1CCN(C(=O)c2c(C)nc3ccc(Br)cn32)CC1 ZINC000456526095 564616779 /nfs/dbraw/zinc/61/67/79/564616779.db2.gz HQMAKKSTKIHFMZ-LBPRGKRZSA-N 1 0 379.302 2.962 20 0 GFADRO CO[C@@H]1[C@@H](C)[C@@H]([NH2+]Cc2cc(=O)n3cc(Br)ccc3n2)C1(C)C ZINC000520969136 564616833 /nfs/dbraw/zinc/61/68/33/564616833.db2.gz ADNPWBSJFRABCD-AMKSKSKJSA-N 1 0 380.286 2.606 20 0 GFADRO C[C@@H](CNC(=O)NCCOc1ccc(Br)cc1)C[NH+]1CCCC1 ZINC000521015902 564617637 /nfs/dbraw/zinc/61/76/37/564617637.db2.gz QBFRSKOIWCBXPY-AWEZNQCLSA-N 1 0 384.318 2.859 20 0 GFADRO CC1(C)C[C@@H]([NH2+]C[C@@H](O)COc2cc(F)cc(Br)c2)CCO1 ZINC000572992266 564618459 /nfs/dbraw/zinc/61/84/59/564618459.db2.gz AKWDGLDRTYTTBF-UONOGXRCSA-N 1 0 376.266 2.875 20 0 GFADRO O=C(C[NH+]1CCCC1)N1CCN(C(=O)c2cc(Cl)c(F)cc2Cl)CC1 ZINC000550282301 564619064 /nfs/dbraw/zinc/61/90/64/564619064.db2.gz SBRMEHADYRLKTA-UHFFFAOYSA-N 1 0 388.270 2.513 20 0 GFADRO CCOCCC[N@@H+]1CC[C@@H](NS(=O)(=O)c2cc(Cl)ccc2F)[C@@H](C)C1 ZINC000521079045 564619439 /nfs/dbraw/zinc/61/94/39/564619439.db2.gz KGBPUZVUTQIJIO-XJKSGUPXSA-N 1 0 392.924 2.894 20 0 GFADRO CC(C)[NH+](CCCNC(=O)C(=O)NCc1ccccc1Br)C(C)C ZINC000550424872 564624146 /nfs/dbraw/zinc/62/41/46/564624146.db2.gz PBBIANVEMXQJGV-UHFFFAOYSA-N 1 0 398.345 2.690 20 0 GFADRO CC(C)[C@H]1CN([C@@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2=O)CC[N@@H+]1C ZINC000485729827 564624580 /nfs/dbraw/zinc/62/45/80/564624580.db2.gz HWAKJGLSQAJURI-HUUCEWRRSA-N 1 0 384.307 2.897 20 0 GFADRO CCC[N@H+](CC)C[C@@H](C)NC(=O)C(=O)Nc1ccc(C)c(Br)c1 ZINC000573144941 564625118 /nfs/dbraw/zinc/62/51/18/564625118.db2.gz GPXMPXBPUHAKJN-CYBMUJFWSA-N 1 0 384.318 2.933 20 0 GFADRO CN([C@H]1CCN(C2CC2)C1)S(=O)(=O)c1ccc(Br)cc1Cl ZINC000521376855 564625327 /nfs/dbraw/zinc/62/53/27/564625327.db2.gz PKALHVFGZCSWLA-LBPRGKRZSA-N 1 0 393.734 2.960 20 0 GFADRO O=C(c1cn(C[C@H]2CCC[NH2+]2)nn1)N1CCc2c(Cl)c(Cl)ccc2C1 ZINC000521430007 564627643 /nfs/dbraw/zinc/62/76/43/564627643.db2.gz FTBKKFGERIRIMP-GFCCVEGCSA-N 1 0 380.279 2.535 20 0 GFADRO COc1ccc(CNC(=O)[C@H]2C[NH2+]Cc3ccccc32)cc1Br ZINC000521430578 564627718 /nfs/dbraw/zinc/62/77/18/564627718.db2.gz TTYMFVGPKJCESZ-HNNXBMFYSA-N 1 0 375.266 2.961 20 0 GFADRO C[C@@H](NC(=O)NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1)c1ncc(Br)cn1 ZINC000573307380 564631854 /nfs/dbraw/zinc/63/18/54/564631854.db2.gz NCAXYOCYDVAVBH-FRRDWIJNSA-N 1 0 384.322 2.720 20 0 GFADRO O=C(NCC[C@H]1CCC[NH2+]1)N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000573308474 564632973 /nfs/dbraw/zinc/63/29/73/564632973.db2.gz MBJJGYPIAXEAIV-IAQYHMDHSA-N 1 0 385.295 2.540 20 0 GFADRO CC[NH+]1CCN(CC(C)(C)NC(=O)Cc2ccc(Br)cc2C)CC1 ZINC000456882200 564637312 /nfs/dbraw/zinc/63/73/12/564637312.db2.gz OMJXFQQQBOKDMO-UHFFFAOYSA-N 1 0 396.373 2.832 20 0 GFADRO CC[NH+]1CCN(CC(C)(C)NC(=O)COc2cc(Cl)ccc2Cl)CC1 ZINC000456897106 564637511 /nfs/dbraw/zinc/63/75/11/564637511.db2.gz JWETYFKQHUVCED-UHFFFAOYSA-N 1 0 388.339 2.905 20 0 GFADRO CC[NH+]1CCN(CC(C)(C)NC(=O)c2sc(C(F)(F)F)nc2C)CC1 ZINC000456882249 564637588 /nfs/dbraw/zinc/63/75/88/564637588.db2.gz OVLMXBOTZMWSCK-UHFFFAOYSA-N 1 0 378.464 2.616 20 0 GFADRO C[C@@H](CNC(=O)C(=O)N(C)Cc1c(Cl)cccc1Cl)C[NH+]1CCCC1 ZINC000551124033 564638172 /nfs/dbraw/zinc/63/81/72/564638172.db2.gz RRPCOJMROOIBFM-ZDUSSCGKSA-N 1 0 386.323 2.800 20 0 GFADRO CN(Cc1c(Cl)cccc1Cl)C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000551138006 564639007 /nfs/dbraw/zinc/63/90/07/564639007.db2.gz HUPKPSQRBLWJNH-HZPDHXFCSA-N 1 0 384.307 2.695 20 0 GFADRO O=S1(=O)CCCN1CC[NH2+][C@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000521988219 564640385 /nfs/dbraw/zinc/64/03/85/564640385.db2.gz KXLKKCYNILKCAN-CVEARBPZSA-N 1 0 376.444 2.967 20 0 GFADRO O=S(=O)(NC[C@H]1CC[N@@H+](C2CC2)C1)c1cccc(Br)c1Cl ZINC000551168155 564640386 /nfs/dbraw/zinc/64/03/86/564640386.db2.gz WXBKXHBRJPXGBR-SNVBAGLBSA-N 1 0 393.734 2.865 20 0 GFADRO C[C@H]1C[N@H+](C)C[C@H]1C(=O)Nc1cc(F)c(I)c(F)c1 ZINC000486120226 564640450 /nfs/dbraw/zinc/64/04/50/564640450.db2.gz MGKFTQSWSHPJIL-IONNQARKSA-N 1 0 380.176 2.706 20 0 GFADRO Cc1ccc(C[NH2+]C[C@@H](O)COc2ccccc2Cl)cc1S(C)(=O)=O ZINC000573480031 564640663 /nfs/dbraw/zinc/64/06/63/564640663.db2.gz DRQLSLOEQMBXJL-OAHLLOKOSA-N 1 0 383.897 2.581 20 0 GFADRO C[C@H]1CN(C(=O)c2ccc(F)c(Br)c2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000486145397 564641299 /nfs/dbraw/zinc/64/12/99/564641299.db2.gz BXONZZLCUNZNMC-SUMWQHHRSA-N 1 0 398.320 2.686 20 0 GFADRO C[NH+](C)CC1(NS(=O)(=O)c2cccc(Br)c2Cl)CCC1 ZINC000551202287 564641892 /nfs/dbraw/zinc/64/18/92/564641892.db2.gz RTYDBWFQYTXJRU-UHFFFAOYSA-N 1 0 381.723 2.865 20 0 GFADRO CCOC(=O)C[C@H](NC(=O)[C@@H]1C[N@H+](C)C[C@H]1C)c1ccc(Br)cc1 ZINC000486207571 564643968 /nfs/dbraw/zinc/64/39/68/564643968.db2.gz UVPIUBIBCTYVKW-WQVCFCJDSA-N 1 0 397.313 2.757 20 0 GFADRO C[C@H]([NH2+]CCCNC(=O)c1ccc(Br)cc1)C(C)(C)n1cncn1 ZINC000551270515 564644420 /nfs/dbraw/zinc/64/44/20/564644420.db2.gz OBKSEWNCJYCHHJ-ZDUSSCGKSA-N 1 0 394.317 2.574 20 0 GFADRO O=C(NCCC1=CC[NH2+]CC1)Nc1ccc2nccnc2c1Br ZINC000573579941 564645315 /nfs/dbraw/zinc/64/53/15/564645315.db2.gz QFQXTDGUKXGGAX-UHFFFAOYSA-N 1 0 376.258 2.824 20 0 GFADRO CN(C(=O)c1c(O)cnc2c(Br)cccc21)[C@H]1C[NH+]2CCC1CC2 ZINC000486303134 564647733 /nfs/dbraw/zinc/64/77/33/564647733.db2.gz DIIXYQKEGIQGNM-AWEZNQCLSA-N 1 0 390.281 2.869 20 0 GFADRO COc1ccc(CN2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)c(Br)c1O ZINC000573816217 564655045 /nfs/dbraw/zinc/65/50/45/564655045.db2.gz YWCWBYCUTYYMKA-HOCLYGCPSA-N 1 0 399.329 2.882 20 0 GFADRO [NH3+][C@@H]1CN(C(=O)c2cncc(Br)c2)CC[C@@H]1c1ccc(F)cc1 ZINC000457363426 564658748 /nfs/dbraw/zinc/65/87/48/564658748.db2.gz KMVIRBKYRWOWJK-HZPDHXFCSA-N 1 0 378.245 2.940 20 0 GFADRO COC[C@@]1(CNC(=O)[C@@H](C)Sc2ccc(Br)cc2)CCC[NH2+]1 ZINC000573913626 564659701 /nfs/dbraw/zinc/65/97/01/564659701.db2.gz BOWNMVFHDDYADK-WBMJQRKESA-N 1 0 387.343 2.815 20 0 GFADRO COc1ccc([C@@H]2CCN(C(=O)CSCC(F)(F)F)C[C@H]2[NH3+])cc1F ZINC000457388469 564659659 /nfs/dbraw/zinc/65/96/59/564659659.db2.gz VHGOLAHPDUYZGB-WCQYABFASA-N 1 0 380.407 2.773 20 0 GFADRO CNC(=O)C1CCC([NH2+]CCC(=O)Nc2ccc(Br)cc2)CC1 ZINC000573914486 564659759 /nfs/dbraw/zinc/65/97/59/564659759.db2.gz CQCDEKRFQVKTNE-UHFFFAOYSA-N 1 0 382.302 2.672 20 0 GFADRO CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H](CCOC)c1ccc(Cl)c(Cl)c1 ZINC000551723844 564661323 /nfs/dbraw/zinc/66/13/23/564661323.db2.gz SNQVOECEKMLTPX-HZMBPMFUSA-N 1 0 376.284 2.895 20 0 GFADRO C[C@H](NC(=O)NC[C@@H]1CCC[N@@H+]1CCCO)c1ccc(Br)cc1 ZINC000457448821 564661505 /nfs/dbraw/zinc/66/15/05/564661505.db2.gz GXXHJCFSIUNYIK-BBRMVZONSA-N 1 0 384.318 2.656 20 0 GFADRO C[NH+](C)CCN(CC(=O)OC(C)(C)C)C(=O)c1csc(Br)c1 ZINC000523092926 564662390 /nfs/dbraw/zinc/66/23/90/564662390.db2.gz SDASWISSYLFABQ-UHFFFAOYSA-N 1 0 391.331 2.856 20 0 GFADRO C[N@@H+]1CC[C@@H]2CCN(S(=O)(=O)c3ccc(OC(F)F)c(Cl)c3)[C@H]2C1 ZINC000486662934 564662447 /nfs/dbraw/zinc/66/24/47/564662447.db2.gz WPKVJUMHAZEERQ-MFKMUULPSA-N 1 0 380.844 2.656 20 0 GFADRO COc1ccc([C@@H](CN(C)C)[NH2+][C@H](C)Cn2cc(Br)cn2)cc1 ZINC000551802942 564664124 /nfs/dbraw/zinc/66/41/24/564664124.db2.gz ZHDYFPDGBHRLIM-CXAGYDPISA-N 1 0 381.318 2.935 20 0 GFADRO C[C@@H]1CN(CCNC(=O)CCSc2ccc(Br)cc2)CCO1 ZINC000523441051 564667441 /nfs/dbraw/zinc/66/74/41/564667441.db2.gz XRJOMWWTDDDWNS-CYBMUJFWSA-N 1 0 387.343 2.768 20 0 GFADRO COCC[NH2+]C1CCN(C(=O)c2ccc(Br)c(Cl)c2)CC1 ZINC000574409455 564672670 /nfs/dbraw/zinc/67/26/70/564672670.db2.gz MPLQIZXEOUTZSA-UHFFFAOYSA-N 1 0 375.694 2.943 20 0 GFADRO C[C@H]([NH2+][C@@H](CO)C1CCOCC1)c1ccccc1I ZINC000574428746 564673205 /nfs/dbraw/zinc/67/32/05/564673205.db2.gz CWQJFUJUNQXGML-NHYWBVRUSA-N 1 0 375.250 2.729 20 0 GFADRO Cc1cc(S(=O)(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)c(F)cc1Br ZINC000574452701 564674011 /nfs/dbraw/zinc/67/40/11/564674011.db2.gz JIRSYMHBJDPPKD-MNOVXSKESA-N 1 0 379.295 2.692 20 0 GFADRO CN(CC[NH+](C)C)c1ccc(Br)cc1NC(=O)[C@@H]1CCC(=O)C1 ZINC000574455270 564674720 /nfs/dbraw/zinc/67/47/20/564674720.db2.gz XTTQBJWTAZTIGS-GFCCVEGCSA-N 1 0 382.302 2.755 20 0 GFADRO Cc1ccc(Br)c(S(=O)(=O)NCC[NH2+][C@H]2CCC23CCC3)c1 ZINC000552087850 564675984 /nfs/dbraw/zinc/67/59/84/564675984.db2.gz UMWLCBISFLNODW-HNNXBMFYSA-N 1 0 387.343 2.958 20 0 GFADRO C[C@@H](Cc1ccc(Br)cc1)NC(=O)NC[C@@H]1CCCC[N@@H+]1CCO ZINC000457861738 564676384 /nfs/dbraw/zinc/67/63/84/564676384.db2.gz CMXOMIXOCBTBDR-YOEHRIQHSA-N 1 0 398.345 2.526 20 0 GFADRO [NH3+]C[C@H](NC(=O)c1ccc(S(=O)(=O)c2ccccc2)s1)C1CCCC1 ZINC000574511456 564676839 /nfs/dbraw/zinc/67/68/39/564676839.db2.gz UFOBOCCHNATBCL-HNNXBMFYSA-N 1 0 378.519 2.828 20 0 GFADRO O=C(c1cnn(-c2cccc(Br)c2)c1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000574512509 564676962 /nfs/dbraw/zinc/67/69/62/564676962.db2.gz UFUJGEITTQSOJD-GOSISDBHSA-N 1 0 389.297 2.851 20 0 GFADRO CC[N@@H+]1CCC[C@@H](CNS(=O)(=O)Cc2cccc(Br)c2)C1 ZINC000574541982 564677852 /nfs/dbraw/zinc/67/78/52/564677852.db2.gz ZLWCECLVGBZFCV-AWEZNQCLSA-N 1 0 375.332 2.600 20 0 GFADRO CC[N@H+](CCNC(=O)c1cc(Br)c(=O)[nH]c1C)CCC(F)(F)F ZINC000552201683 564681665 /nfs/dbraw/zinc/68/16/65/564681665.db2.gz RRZNDYMXMJDTRP-UHFFFAOYSA-N 1 0 398.223 2.862 20 0 GFADRO O=C(NC[C@H](CO)Cc1cccc(Br)c1)c1ccc2c[nH+]cn2c1 ZINC000552201180 564681721 /nfs/dbraw/zinc/68/17/21/564681721.db2.gz CRFWTLRMLYGCHS-CQSZACIVSA-N 1 0 388.265 2.678 20 0 GFADRO CS(=O)(=O)[C@@H]1CCC[C@@H]([NH2+]C[C@H](O)Cc2ccccc2C(F)(F)F)C1 ZINC000574632145 564682487 /nfs/dbraw/zinc/68/24/87/564682487.db2.gz ONAFVVJPIGNTSK-RBSFLKMASA-N 1 0 379.444 2.554 20 0 GFADRO CC[NH+](CC)C[C@@H](C)NC(=O)N[C@@H]1CCO[C@H]1c1cncc(Br)c1 ZINC000457999669 564683336 /nfs/dbraw/zinc/68/33/36/564683336.db2.gz DZHZZBQVUOBKCR-WQVCFCJDSA-N 1 0 399.333 2.704 20 0 GFADRO COc1ccc(Br)c(CN(C)CC[N@H+](C)C2CCN(C)CC2)c1 ZINC000574675105 564684183 /nfs/dbraw/zinc/68/41/83/564684183.db2.gz FQQIKEAATRRNQM-UHFFFAOYSA-N 1 0 384.362 2.916 20 0 GFADRO C[C@@H]([NH2+]Cc1ccc(C[S@@](C)=O)cc1)c1cccc(NS(C)(=O)=O)c1 ZINC000552298137 564685720 /nfs/dbraw/zinc/68/57/20/564685720.db2.gz SHRIUJRDGLYEHR-JBEBIEQOSA-N 1 0 380.535 2.787 20 0 GFADRO Cc1nccc(NC(=O)NC[C@H]2[NH2+]CCc3ccccc32)c1Br ZINC000574740803 564686983 /nfs/dbraw/zinc/68/69/83/564686983.db2.gz MKTUITHQQWCPEI-OAHLLOKOSA-N 1 0 375.270 2.583 20 0 GFADRO C[C@H](NC(=O)c1ccc(Br)cc1)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000487409532 564687171 /nfs/dbraw/zinc/68/71/71/564687171.db2.gz DZXVOPKRTKXVFR-MAZHCROVSA-N 1 0 396.329 2.556 20 0 GFADRO C[C@H](CNC(=O)N[C@H]1CC[N@@H+](C2CC2)C1)Oc1ccc(Br)cc1 ZINC000524787074 564687392 /nfs/dbraw/zinc/68/73/92/564687392.db2.gz SNBUCNBOHZYLHI-OCCSQVGLSA-N 1 0 382.302 2.752 20 0 GFADRO O=S(=O)(NCC[NH2+]Cc1scnc1C1CC1)c1ccc(Cl)s1 ZINC000487567537 564691118 /nfs/dbraw/zinc/69/11/18/564691118.db2.gz XPYZZLULKXBHOV-UHFFFAOYSA-N 1 0 377.944 2.804 20 0 GFADRO CC(C)(C)[NH2+]CCNC(=O)C(=O)Nc1ccc(OC(F)(F)F)c(Cl)c1 ZINC000575044542 564691608 /nfs/dbraw/zinc/69/16/08/564691608.db2.gz CEXRXZMQBUBJFW-UHFFFAOYSA-N 1 0 381.782 2.681 20 0 GFADRO Cc1ccc(C[C@H](CO)[NH2+]C[C@@H](O)COc2ccc(Br)cc2)cc1 ZINC000575046274 564691671 /nfs/dbraw/zinc/69/16/71/564691671.db2.gz JFMWGGQUICPRFQ-QZTJIDSGSA-N 1 0 394.309 2.690 20 0 GFADRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NS(=O)(=O)c1c[nH]c2nccc(Cl)c12 ZINC000487647892 564693613 /nfs/dbraw/zinc/69/36/13/564693613.db2.gz HWZBMSJPDODWMN-JHJVBQTASA-N 1 0 384.933 2.861 20 0 GFADRO O=C(NC[C@@H](CO)Cc1ccc(Br)cc1)c1ccc2c[nH+]cn2c1 ZINC000552518731 564694064 /nfs/dbraw/zinc/69/40/64/564694064.db2.gz KPMVLJDPFSLIIB-AWEZNQCLSA-N 1 0 388.265 2.678 20 0 GFADRO C[C@]1(C[C@H]2CCC[N@@H+]2Cc2cnc(-c3cccs3)s2)NC(=O)NC1=O ZINC000575218859 564694614 /nfs/dbraw/zinc/69/46/14/564694614.db2.gz MITLJXRHHWMXOW-PIGZYNQJSA-N 1 0 376.507 2.824 20 0 GFADRO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)NCc1c(C)cc(Br)cc1C ZINC000552543520 564694816 /nfs/dbraw/zinc/69/48/16/564694816.db2.gz FGVWNDKDZYZYQX-CQSZACIVSA-N 1 0 398.345 2.529 20 0 GFADRO COc1cc(Br)c(CNC(=O)NC(C)(C)C[NH+](C)C)cc1OC ZINC000458241112 564695232 /nfs/dbraw/zinc/69/52/32/564695232.db2.gz PJPNQEMQIUNTFE-UHFFFAOYSA-N 1 0 388.306 2.606 20 0 GFADRO CC[NH+](CC)[C@H](C)CNC(=O)N[C@@H](CO)c1ccc(Br)c(F)c1 ZINC000487785013 564695453 /nfs/dbraw/zinc/69/54/53/564695453.db2.gz OQGAQUOQBBIYAE-ABAIWWIYSA-N 1 0 390.297 2.651 20 0 GFADRO Cn1ncc(Br)c1C(=O)Nc1ccc(OCC[NH+](C)C)c(F)c1 ZINC000458272866 564696568 /nfs/dbraw/zinc/69/65/68/564696568.db2.gz LBAMBNIYXSXRHC-UHFFFAOYSA-N 1 0 385.237 2.514 20 0 GFADRO C[C@@H](CNC(=O)NCc1nc2c(cccc2Br)[nH]1)[N@H+](C)C1CC1 ZINC000458301717 564698028 /nfs/dbraw/zinc/69/80/28/564698028.db2.gz YAUOJNSSHDIMCP-JTQLQIEISA-N 1 0 380.290 2.607 20 0 GFADRO CC[NH+]1CCN([C@H]2CCN(Cc3cc(Br)cc(F)c3F)C2)CC1 ZINC000575752904 564702750 /nfs/dbraw/zinc/70/27/50/564702750.db2.gz QLHXFFCXFKPTFK-HNNXBMFYSA-N 1 0 388.300 2.939 20 0 GFADRO C[C@H]1C[C@H](NC(=O)c2cc(=O)c3cc(Br)ccc3[nH]2)CC[N@@H+]1C ZINC000525620075 564703322 /nfs/dbraw/zinc/70/33/22/564703322.db2.gz ZWFQQYNTPIJUSZ-CMPLNLGQSA-N 1 0 378.270 2.503 20 0 GFADRO C[N@@H+]1CC[C@@H](C(=O)Nc2ccc(CCn3cc(Br)cn3)cc2)C1 ZINC000525616763 564703406 /nfs/dbraw/zinc/70/34/06/564703406.db2.gz WZMFREPKPVHPBA-CQSZACIVSA-N 1 0 377.286 2.779 20 0 GFADRO COC[C@@]1(CNC(=O)N[C@H](C)c2ccc(Br)s2)CCC[NH2+]1 ZINC000576015236 564704912 /nfs/dbraw/zinc/70/49/12/564704912.db2.gz YDELREMADUCMIP-YGRLFVJLSA-N 1 0 376.320 2.639 20 0 GFADRO CC[C@H](NC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1)[C@H](O)C(F)F ZINC000458595462 564707272 /nfs/dbraw/zinc/70/72/72/564707272.db2.gz RMLNWPYUIIEPFD-YJNKXOJESA-N 1 0 375.847 2.789 20 0 GFADRO CCOC(=O)CC[C@H](O)C[NH2+]CCc1c[nH]c2ccc(Br)cc12 ZINC000576221422 564708119 /nfs/dbraw/zinc/70/81/19/564708119.db2.gz ITTMBCACIQVTGK-AWEZNQCLSA-N 1 0 383.286 2.767 20 0 GFADRO COc1cc(C(=O)N2CC[C@]3(C2)CCC[NH2+]C3)cc(OC)c1Br ZINC000576270816 564709905 /nfs/dbraw/zinc/70/99/05/564709905.db2.gz HXRKFNSOHNMUKL-QGZVFWFLSA-N 1 0 383.286 2.682 20 0 GFADRO O=C(Nc1ccc(Br)cn1)C1CC[NH+](CC[C@H]2CCOC2)CC1 ZINC000525864897 564710973 /nfs/dbraw/zinc/71/09/73/564710973.db2.gz WMARSIIPKNQUSH-ZDUSSCGKSA-N 1 0 382.302 2.921 20 0 GFADRO COc1cc(Br)ccc1CNC(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000488495736 564712936 /nfs/dbraw/zinc/71/29/36/564712936.db2.gz JBCRMVOTNHLAST-GJZGRUSLSA-N 1 0 382.302 2.884 20 0 GFADRO C[C@@H]1[C@H](C)[S@@](=O)CCN1C(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000525981774 564714425 /nfs/dbraw/zinc/71/44/25/564714425.db2.gz JQDVVPUXGDJGMJ-HDUBJJHYSA-N 1 0 383.583 2.682 20 0 GFADRO O[C@H](C[NH2+][C@@H](c1cccc(Br)c1)C1CCOCC1)[C@@H]1CCOC1 ZINC000525973339 564714687 /nfs/dbraw/zinc/71/46/87/564714687.db2.gz QVZFPXTXYKQXKV-KBAYOESNSA-N 1 0 384.314 2.904 20 0 GFADRO Cn1ccnc1[C@@H](NC(=O)c1ccc(I)cc1)C1CC1 ZINC000553266291 564714858 /nfs/dbraw/zinc/71/48/58/564714858.db2.gz XRAUFCIIAABFRM-ZDUSSCGKSA-N 1 0 381.217 2.906 20 0 GFADRO Cn1cc2c(n1)CCC[C@H]2[NH2+]CCS(=O)(=O)c1cccc(Br)c1 ZINC000576745931 564718370 /nfs/dbraw/zinc/71/83/70/564718370.db2.gz DEJZDCGHVHTFEK-OAHLLOKOSA-N 1 0 398.326 2.624 20 0 GFADRO C[N@@H+]1CC[C@@]2(CCN(c3ncnc4ccc(I)cc43)C2)C1 ZINC000488725140 564719112 /nfs/dbraw/zinc/71/91/12/564719112.db2.gz ZVCJXVPWPXLDOL-MRXNPFEDSA-N 1 0 394.260 2.766 20 0 GFADRO C[C@H]1C[C@H]1[N@@H+]1CCN(c2cc(Br)cc(F)c2C(N)=O)C[C@@H](C)C1 ZINC000488736867 564719279 /nfs/dbraw/zinc/71/92/79/564719279.db2.gz QMQYHYYYZFOPAY-COPLHBTASA-N 1 0 384.293 2.854 20 0 GFADRO O=C(Nc1ccc(Br)cn1)[C@H]1CCC[N@H+](CC[C@@H]2CCOC2)C1 ZINC000526114156 564720403 /nfs/dbraw/zinc/72/04/03/564720403.db2.gz YVUJZYGARCKRDH-KGLIPLIRSA-N 1 0 382.302 2.921 20 0 GFADRO COCCN(CC(F)F)C(=O)NC[C@H](c1ccc(SC)cc1)[NH+](C)C ZINC000458883977 564722191 /nfs/dbraw/zinc/72/21/91/564722191.db2.gz FUDIABCVJCEDCR-OAHLLOKOSA-N 1 0 375.485 2.934 20 0 GFADRO CO[C@H]1CCN(C(=O)CCC(=O)c2cc(Cl)sc2Cl)[C@H](C[NH3+])C1 ZINC000576988829 564722863 /nfs/dbraw/zinc/72/28/63/564722863.db2.gz DDKZUHIKEZRAPH-UWVGGRQHSA-N 1 0 379.309 2.983 20 0 GFADRO C[C@@H]1[C@H](C)[S@@](=O)CCN1C(=O)N[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1 ZINC000526976069 564724478 /nfs/dbraw/zinc/72/44/78/564724478.db2.gz HTYKLQIMBRGMGT-NWTJBUIXSA-N 1 0 383.945 2.636 20 0 GFADRO C[C@H](C[NH2+][C@@H](C)CCc1ccc(I)cc1)S(C)(=O)=O ZINC000526984251 564724493 /nfs/dbraw/zinc/72/44/93/564724493.db2.gz VQFBNDVXUBWEPE-NWDGAFQWSA-N 1 0 395.306 2.635 20 0 GFADRO C[C@H](CCC[NH3+])NC(=O)c1nnn(-c2ccc(Br)cc2)c1C1CC1 ZINC000577105717 564724612 /nfs/dbraw/zinc/72/46/12/564724612.db2.gz AYJSJIVZFVIGSB-LLVKDONJSA-N 1 0 392.301 2.764 20 0 GFADRO CCCN(CC[NH+]1CCCCC1)S(=O)(=O)c1cccnc1C(F)(F)F ZINC000553559871 564726707 /nfs/dbraw/zinc/72/67/07/564726707.db2.gz CADWABSLTGCCPL-UHFFFAOYSA-N 1 0 379.448 2.987 20 0 GFADRO O=C(C[NH2+]C[C@H]1CCCO1)NCCc1csc(-c2ccc(Cl)cc2)n1 ZINC000577181998 564728585 /nfs/dbraw/zinc/72/85/85/564728585.db2.gz IEEJBKBIWUHQMI-MRXNPFEDSA-N 1 0 379.913 2.891 20 0 GFADRO CC(C)[N@H+](C)CC1CCN(C(=O)C(=O)Nc2ccccc2Br)CC1 ZINC000527075706 564728682 /nfs/dbraw/zinc/72/86/82/564728682.db2.gz QNOOVZKELAYDAT-UHFFFAOYSA-N 1 0 396.329 2.966 20 0 GFADRO Cc1cc(Br)cc2c(C(=O)NCC[N@@H+]3CCCOCC3)coc21 ZINC000527119795 564730842 /nfs/dbraw/zinc/73/08/42/564730842.db2.gz OJQTWAHRFYGQTN-UHFFFAOYSA-N 1 0 381.270 2.956 20 0 GFADRO O=C(NC[C@@H](O)C(F)F)NC[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC000489241568 564733138 /nfs/dbraw/zinc/73/31/38/564733138.db2.gz WAZRUZGUQYFDEM-LSDHHAIUSA-N 1 0 375.847 2.620 20 0 GFADRO O=C(NCC[N@H+]1CC=CCC1)[C@H]1CCN(c2cc(Cl)ccc2Cl)C1=O ZINC000527267247 564736225 /nfs/dbraw/zinc/73/62/25/564736225.db2.gz ZFZJVXNAKNNNDR-CQSZACIVSA-N 1 0 382.291 2.724 20 0 GFADRO O=C(NCc1nc2c(cccc2Br)[nH]1)N1CC[NH+](CC2CC2)CC1 ZINC000459210265 564736656 /nfs/dbraw/zinc/73/66/56/564736656.db2.gz LNTYEZYBTXVBQF-UHFFFAOYSA-N 1 0 392.301 2.563 20 0 GFADRO C[C@H](CNC(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1)Oc1cccc(Br)c1 ZINC000489393911 564738599 /nfs/dbraw/zinc/73/85/99/564738599.db2.gz DPIFMGQKLKNYSI-RDTXWAMCSA-N 1 0 396.329 2.954 20 0 GFADRO C[C@H](CNC(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1)Oc1ccccc1Br ZINC000489446492 564740031 /nfs/dbraw/zinc/74/00/31/564740031.db2.gz NYALBFKTJKBTCH-RDTXWAMCSA-N 1 0 396.329 2.954 20 0 GFADRO C[N@@H+]1CCC[C@@H](CCNC(=O)N[C@H](CO)c2ccc(Br)cc2)C1 ZINC000459328780 564740124 /nfs/dbraw/zinc/74/01/24/564740124.db2.gz YNPOBWKRADJDIY-XJKSGUPXSA-N 1 0 384.318 2.514 20 0 GFADRO CS[C@H]1CN(S(=O)(=O)Cc2cc(Cl)ccc2F)C[C@H]1[NH+]1CCCC1 ZINC000527327202 564740176 /nfs/dbraw/zinc/74/01/76/564740176.db2.gz OOHODNMZAMMRPG-CVEARBPZSA-N 1 0 392.949 2.821 20 0 GFADRO CC1(C)CCC[N@H+](CCNS(=O)(=O)Cc2ccccc2Br)C1 ZINC000553856150 564740429 /nfs/dbraw/zinc/74/04/29/564740429.db2.gz XJWXUBYSDNMOGB-UHFFFAOYSA-N 1 0 389.359 2.991 20 0 GFADRO O=S(=O)(NCC1CC[NH2+]CC1)c1c(Cl)cc(F)cc1Br ZINC000578069713 564740518 /nfs/dbraw/zinc/74/05/18/564740518.db2.gz SOFHLGQVGOISAP-UHFFFAOYSA-N 1 0 385.686 2.520 20 0 GFADRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1S(=O)(=O)c1cc(F)ccc1Br ZINC000553892781 564743633 /nfs/dbraw/zinc/74/36/33/564743633.db2.gz DDZNMGRBMMKBFO-SMDDNHRTSA-N 1 0 391.306 2.836 20 0 GFADRO CCO[C@@H]1C[C@@H]([NH2+]CCS(=O)(=O)N(CC)CC)[C@H]1Sc1ccccc1 ZINC000459419179 564743613 /nfs/dbraw/zinc/74/36/13/564743613.db2.gz BDKMEGZBSVGDIQ-KZNAEPCWSA-N 1 0 386.583 2.586 20 0 GFADRO CC[N@@H+]1CCN(C(=O)C2(c3ccc(I)cc3)CC2)[C@H](C)C1 ZINC000578800498 564744533 /nfs/dbraw/zinc/74/45/33/564744533.db2.gz MVMSKLVGGQSOTB-CYBMUJFWSA-N 1 0 398.288 2.875 20 0 GFADRO CCOc1cc(C[NH2+][C@H](C)[C@@H](C)N2CCOCC2)cc(Br)c1O ZINC000459435947 564745236 /nfs/dbraw/zinc/74/52/36/564745236.db2.gz WDUAYLUUWYYJND-CHWSQXEVSA-N 1 0 387.318 2.752 20 0 GFADRO CCOc1cc(C[NH2+][C@@H]2CCO[C@@]3(CCOC3)C2)cc(Br)c1O ZINC000459464104 564745560 /nfs/dbraw/zinc/74/55/60/564745560.db2.gz MFYNKHANLOBEDC-DYVFJYSZSA-N 1 0 386.286 2.981 20 0 GFADRO CCOc1cc(C[N@H+](C)[C@H](C)CN2CCOCC2)cc(Br)c1O ZINC000459501523 564748670 /nfs/dbraw/zinc/74/86/70/564748670.db2.gz IMHQUCCOFWWRTR-CYBMUJFWSA-N 1 0 387.318 2.706 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NCc2ccc(Cl)cc2Cl)C[C@@H]1C ZINC000579813262 564752250 /nfs/dbraw/zinc/75/22/50/564752250.db2.gz BUYJKJHQTISIBA-WFASDCNBSA-N 1 0 386.323 2.941 20 0 GFADRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)Nc3ccc(Cl)c(S(C)(=O)=O)c3)C2)C1 ZINC000579802130 564752442 /nfs/dbraw/zinc/75/24/42/564752442.db2.gz BSPKLTJREQPHLB-QGZVFWFLSA-N 1 0 385.917 2.693 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)CCC[N@@H+]1CCC[C@@](O)(CO)C1 ZINC000459625948 564753544 /nfs/dbraw/zinc/75/35/44/564753544.db2.gz BRLGZMDWJMBRHD-SFHVURJKSA-N 1 0 399.329 2.604 20 0 GFADRO Cn1cc(CN2C[C@@H](F)C[C@H]2C[NH2+]Cc2ccsc2Br)cn1 ZINC000527694910 564756187 /nfs/dbraw/zinc/75/61/87/564756187.db2.gz DBFQCILUCVNGAE-KBPBESRZSA-N 1 0 387.322 2.946 20 0 GFADRO CC1(C)Cc2ccc(Br)cc2[C@@H]1NC(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000554298402 564756687 /nfs/dbraw/zinc/75/66/87/564756687.db2.gz BMVQBBKQQRMKGI-SJORKVTESA-N 1 0 392.341 2.579 20 0 GFADRO CC1(C)Cc2ccc(Br)cc2[C@H]1NC(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000554298396 564756885 /nfs/dbraw/zinc/75/68/85/564756885.db2.gz BMVQBBKQQRMKGI-DLBZAZTESA-N 1 0 392.341 2.579 20 0 GFADRO O[C@H](COc1ccc(Br)cc1)C[N@@H+]1CC2(CCC2)[C@H]2COC[C@@H]21 ZINC000459701272 564757691 /nfs/dbraw/zinc/75/76/91/564757691.db2.gz GEBKAJKWEKALGM-XIRDDKMYSA-N 1 0 382.298 2.690 20 0 GFADRO COc1ccncc1CNC(=O)c1cc(=O)c2cc(Br)ccc2[nH]1 ZINC000554369645 564758367 /nfs/dbraw/zinc/75/83/67/564758367.db2.gz OEZQNIHGZAXAHD-UHFFFAOYSA-N 1 0 388.221 2.624 20 0 GFADRO FC(F)(F)c1cc(Br)ccc1CN1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000489977746 564758704 /nfs/dbraw/zinc/75/87/04/564758704.db2.gz KRANMNRELLVXOD-CQSZACIVSA-N 1 0 392.263 2.947 20 0 GFADRO COc1ccncc1CNC(=O)C[C@H]1Sc2ccc(Cl)cc2NC1=O ZINC000554369034 564758860 /nfs/dbraw/zinc/75/88/60/564758860.db2.gz WOYOBFZZEBUCQE-OAHLLOKOSA-N 1 0 377.853 2.863 20 0 GFADRO CN1C2(CCC2)COC[C@@]1(CO)C[NH2+]Cc1csc(-c2ccsc2)n1 ZINC000527751890 564759899 /nfs/dbraw/zinc/75/98/99/564759899.db2.gz DADABLOBYIXFCM-SFHVURJKSA-N 1 0 379.551 2.577 20 0 GFADRO Cc1csc(S(=O)(=O)N(C)C2CC[NH+](CCc3ccccn3)CC2)c1 ZINC000580517262 564762254 /nfs/dbraw/zinc/76/22/54/564762254.db2.gz NOUUAKLGADAHCV-UHFFFAOYSA-N 1 0 379.551 2.779 20 0 GFADRO O=C(NCCOc1c(Cl)cc(Cl)cc1Cl)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000490116688 564764019 /nfs/dbraw/zinc/76/40/19/564764019.db2.gz GZJBQLSTXPMVNI-AWEZNQCLSA-N 1 0 392.714 2.532 20 0 GFADRO CC(C)[N@@H+]1CC[C@H](CNC(=O)C(C)(C)S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000554529542 564764133 /nfs/dbraw/zinc/76/41/33/564764133.db2.gz HUHKMBDCAQPDQF-CQSZACIVSA-N 1 0 386.945 2.739 20 0 GFADRO COC[C@]1(CNC(=O)c2cc3c(cc(Br)cc3F)[nH]2)CCC[NH2+]1 ZINC000580564484 564764996 /nfs/dbraw/zinc/76/49/96/564764996.db2.gz CKQWJYGSJUVQPU-MRXNPFEDSA-N 1 0 384.249 2.568 20 0 GFADRO O=S(=O)(c1ccc(C(F)(F)F)c(F)c1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000580563745 564765160 /nfs/dbraw/zinc/76/51/60/564765160.db2.gz AUALLNQOJLTDQG-LBPRGKRZSA-N 1 0 380.407 2.855 20 0 GFADRO O=C1NC(=O)C2(CCC([NH2+]CC/C=C/c3ccc(Br)cc3)CC2)N1 ZINC000527935260 564765249 /nfs/dbraw/zinc/76/52/49/564765249.db2.gz SXNPSOZJVMPBDY-HNQUOIGGSA-N 1 0 392.297 2.963 20 0 GFADRO Cc1cc(NC(=O)C[NH2+][C@H](c2cncc(Br)c2)C2CC2)n(C)n1 ZINC000580587074 564766052 /nfs/dbraw/zinc/76/60/52/564766052.db2.gz AEAFEKBSXBWLDN-INIZCTEOSA-N 1 0 378.274 2.565 20 0 GFADRO C[NH+](C)CCOCCNC(=O)NCC1(c2ccccc2Br)CCC1 ZINC000490251579 564767536 /nfs/dbraw/zinc/76/75/36/564767536.db2.gz NVBZUUHBAVPGDD-UHFFFAOYSA-N 1 0 398.345 2.748 20 0 GFADRO O=S(=O)(N[C@H]1CC[NH2+]C12CCC2)c1cc(Cl)c(Br)cc1F ZINC000528050054 564768320 /nfs/dbraw/zinc/76/83/20/564768320.db2.gz AKIWLJLPUZJJLA-LBPRGKRZSA-N 1 0 397.697 2.805 20 0 GFADRO Cc1ccc(I)c(C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@H]32)c1 ZINC000490303133 564768418 /nfs/dbraw/zinc/76/84/18/564768418.db2.gz ZWPBKVZVGIDMJT-IUODEOHRSA-N 1 0 384.261 2.766 20 0 GFADRO O=S(=O)(c1ccc(Cl)cc1Cl)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000528060926 564768818 /nfs/dbraw/zinc/76/88/18/564768818.db2.gz NGHFSRZUVHIWSC-AWEZNQCLSA-N 1 0 393.336 2.773 20 0 GFADRO O=S(=O)(c1ccc(Cl)cc1Cl)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000528060927 564769015 /nfs/dbraw/zinc/76/90/15/564769015.db2.gz NGHFSRZUVHIWSC-CQSZACIVSA-N 1 0 393.336 2.773 20 0 GFADRO O=S(=O)(NCC[NH2+][C@@H]1CC[C@@H](c2ccc(Cl)cc2)C1)c1cccnc1 ZINC000580695004 564769497 /nfs/dbraw/zinc/76/94/97/564769497.db2.gz GCPNFBYEXAHIRW-NVXWUHKLSA-N 1 0 379.913 2.939 20 0 GFADRO CO[C@@H](C[N@@H+]1CCC[C@@H](CNS(=O)(=O)C2CC2)C1)c1ccc(Cl)cc1 ZINC000554744314 564772681 /nfs/dbraw/zinc/77/26/81/564772681.db2.gz ZSDPXVPBCHILBP-KSSFIOAISA-N 1 0 386.945 2.821 20 0 GFADRO NS(=O)(=O)c1ccc(NC[C@@H]2CC[N@@H+]2C2CCCC2)c(C(F)(F)F)c1 ZINC000528212382 564773595 /nfs/dbraw/zinc/77/35/95/564773595.db2.gz XAOBWBYMBUBDPZ-LBPRGKRZSA-N 1 0 377.432 2.782 20 0 GFADRO CCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@@H](C)[N@H+](CC)C[C@@H]1C ZINC000460300907 564774301 /nfs/dbraw/zinc/77/43/01/564774301.db2.gz HYTRRUUYGYOSCT-NEPJUHHUSA-N 1 0 381.322 2.975 20 0 GFADRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)NCc1cc(F)c(Br)cc1F ZINC000528249983 564774437 /nfs/dbraw/zinc/77/44/37/564774437.db2.gz FBPOKWBIOLQCNN-LLVKDONJSA-N 1 0 376.245 2.963 20 0 GFADRO C[C@H]([NH2+]C[C@H]1CCCCS1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000554812780 564774733 /nfs/dbraw/zinc/77/47/33/564774733.db2.gz GVUSLFKZRBCEIP-DOTOQJQBSA-N 1 0 384.567 2.644 20 0 GFADRO COC(=O)c1cc(C[NH2+]C[C@H](CO)Cc2ccccc2Br)cn1C ZINC000554864570 564775693 /nfs/dbraw/zinc/77/56/93/564775693.db2.gz BTVGYIRUQYPKBD-CQSZACIVSA-N 1 0 395.297 2.515 20 0 GFADRO CC[N@@H+]1CCC[C@H](CNS(=O)(=O)c2cc(C)c(Br)s2)C1 ZINC000460491601 564776139 /nfs/dbraw/zinc/77/61/39/564776139.db2.gz OFJKKLPIMJAVGX-LLVKDONJSA-N 1 0 381.361 2.829 20 0 GFADRO CC[NH+](CC)CCN(Cc1cccs1)c1nc(C)c(S(N)(=O)=O)s1 ZINC000554938852 564778055 /nfs/dbraw/zinc/77/80/55/564778055.db2.gz YPVKGYOGTSDQEC-UHFFFAOYSA-N 1 0 388.584 2.509 20 0 GFADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@H](C)Oc2cccc(Br)c2)C1 ZINC000460792991 564781083 /nfs/dbraw/zinc/78/10/83/564781083.db2.gz TWCZWWCPURMMCW-WMLDXEAASA-N 1 0 399.329 2.689 20 0 GFADRO O=C(COC1CC[NH2+]CC1)N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000580946466 564781307 /nfs/dbraw/zinc/78/13/07/564781307.db2.gz AHOZKZNHRYRCCR-LLVKDONJSA-N 1 0 377.432 2.637 20 0 GFADRO O=C(N[C@@H]1CCOc2c(Br)cccc21)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000581001561 564782753 /nfs/dbraw/zinc/78/27/53/564782753.db2.gz MGCNPRSUOYEUAU-BYCMXARLSA-N 1 0 380.286 2.666 20 0 GFADRO Cc1cc(C)c(Br)c(C(=O)N2CCN(CC[NH+]3CCCC3)CC2)c1 ZINC000460864636 564782835 /nfs/dbraw/zinc/78/28/35/564782835.db2.gz UREZFAIVKUEMEN-UHFFFAOYSA-N 1 0 394.357 2.920 20 0 GFADRO CCCC[N@H+](C)CCNC(=O)NCCC(=O)Nc1ccc(Br)cc1 ZINC000490921378 564783345 /nfs/dbraw/zinc/78/33/45/564783345.db2.gz GSMPXSGWNKQCMU-UHFFFAOYSA-N 1 0 399.333 2.809 20 0 GFADRO C[C@H]1[NH2+]CC[C@@H]1C(=O)N=c1cc(-c2cc(Br)ccc2Cl)[nH][nH]1 ZINC000581010775 564783866 /nfs/dbraw/zinc/78/38/66/564783866.db2.gz ZDENRZBMEUAUCP-SCZZXKLOSA-N 1 0 383.677 2.851 20 0 GFADRO CCN(CC)C(=O)[C@H]1CCCN1Cc1cc(O)c(OC)cc1Br ZINC000491094565 564786833 /nfs/dbraw/zinc/78/68/33/564786833.db2.gz WTZDEADMHOPRRB-CQSZACIVSA-N 1 0 385.302 2.996 20 0 GFADRO C[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(-c2ccc(Cl)s2)nc1 ZINC000555274895 564788343 /nfs/dbraw/zinc/78/83/43/564788343.db2.gz BLKSEMHECSKBCF-GFCCVEGCSA-N 1 0 378.885 2.612 20 0 GFADRO Cc1c(Br)ccnc1NC(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000581180075 564791414 /nfs/dbraw/zinc/79/14/14/564791414.db2.gz FLTLOBDJVBJTSQ-LSDHHAIUSA-N 1 0 397.317 2.652 20 0 GFADRO O=S(=O)(NC[C@@H]1CC[N@@H+]1C1CCCC1)c1ccc(OC(F)F)c(F)c1 ZINC000528551575 564794370 /nfs/dbraw/zinc/79/43/70/564794370.db2.gz NUYACDYERBYBLC-LBPRGKRZSA-N 1 0 378.416 2.722 20 0 GFADRO CCN1CC[NH+](C[C@H](C)CNC(=O)c2sc3ncccc3c2Cl)CC1 ZINC000528562477 564795653 /nfs/dbraw/zinc/79/56/53/564795653.db2.gz YZXCGOULWQEQDH-CYBMUJFWSA-N 1 0 380.945 2.953 20 0 GFADRO COc1cc(C[NH2+][C@H]2CCO[C@@H](c3ccnn3C)C2)cc(Br)c1O ZINC000581291125 564795870 /nfs/dbraw/zinc/79/58/70/564795870.db2.gz HUTYVMRDTCHPRP-SWLSCSKDSA-N 1 0 396.285 2.907 20 0 GFADRO C[C@@]1(Br)C[C@@H]1C(=O)NC1CC[NH+](CCOc2ccc(F)cc2)CC1 ZINC000528604540 564796620 /nfs/dbraw/zinc/79/66/20/564796620.db2.gz BLKLPOKMCIMEIS-SJLPKXTDSA-N 1 0 399.304 2.959 20 0 GFADRO C[C@H]1NC(=O)N(CC[N@H+](Cc2ccc(Br)cc2)C(C)(C)C)C1=O ZINC000528595807 564797112 /nfs/dbraw/zinc/79/71/12/564797112.db2.gz ZHMRNMTUBKCKMI-GFCCVEGCSA-N 1 0 382.302 2.990 20 0 GFADRO CC(C)(C)C[C@H](O)C[NH2+]CCS(=O)(=O)c1cccc(Br)c1 ZINC000581310589 564797345 /nfs/dbraw/zinc/79/73/45/564797345.db2.gz HUQNWQCVNLVFFG-ZDUSSCGKSA-N 1 0 378.332 2.610 20 0 GFADRO CC(C)[N@H+](C)CCCNc1ncnc2ccc(I)cc21 ZINC000461455306 564797528 /nfs/dbraw/zinc/79/75/28/564797528.db2.gz BRGGGVAMSSRUBK-UHFFFAOYSA-N 1 0 384.265 3.377 20 0 GFADRO Cc1cc(Br)c(F)cc1NC(=O)C(=O)N[C@@H](C)C[N@@H+](C)C(C)C ZINC000581340509 564798106 /nfs/dbraw/zinc/79/81/06/564798106.db2.gz BBURFPARYBKRPF-NSHDSACASA-N 1 0 388.281 2.680 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CNc1ncnc2ccc(I)cc21 ZINC000461461480 564798039 /nfs/dbraw/zinc/79/80/39/564798039.db2.gz FIASVTGQLAQOMK-LBPRGKRZSA-N 1 0 382.249 3.131 20 0 GFADRO OC[C@@]1([NH2+]C[C@@H](O)c2ccc(F)c(Br)c2)COc2ccccc2C1 ZINC000528647550 564798502 /nfs/dbraw/zinc/79/85/02/564798502.db2.gz YSEUUESGASRKIW-SJLPKXTDSA-N 1 0 396.256 2.577 20 0 GFADRO OC[C@]1([NH2+]C[C@@H](O)c2ccc(F)c(Br)c2)COc2ccccc2C1 ZINC000528647548 564798619 /nfs/dbraw/zinc/79/86/19/564798619.db2.gz YSEUUESGASRKIW-AEFFLSMTSA-N 1 0 396.256 2.577 20 0 GFADRO CS(=O)(=O)N1CCCC[C@@H]1C[NH2+][C@H]1CCc2ccc(Br)cc21 ZINC000581361265 564799172 /nfs/dbraw/zinc/79/91/72/564799172.db2.gz RJNWPQRQJCGQMQ-ZBFHGGJFSA-N 1 0 387.343 2.840 20 0 GFADRO COc1cc(OC)c(NC(=O)N[C@H]2CC[NH2+]C23CCC3)cc1Br ZINC000528685764 564800359 /nfs/dbraw/zinc/80/03/59/564800359.db2.gz DVEVKIPBASRDTK-AWEZNQCLSA-N 1 0 384.274 2.872 20 0 GFADRO OC[C@@H]([NH2+]Cc1ccc(-n2cncn2)cc1)c1ccc(Br)c(F)c1 ZINC000492313589 564801308 /nfs/dbraw/zinc/80/13/08/564801308.db2.gz PKZXKGBYGGINPD-QGZVFWFLSA-N 1 0 391.244 2.992 20 0 GFADRO C[C@@H]1CN(Cc2nc(Cc3cccc(Br)c3)no2)C[C@H](C)[N@H+]1C ZINC000555665334 564801713 /nfs/dbraw/zinc/80/17/13/564801713.db2.gz APXIHMSTMQIFQT-BETUJISGSA-N 1 0 379.302 2.947 20 0 GFADRO CSC[C@@H](C)NC(=O)C(=O)NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000555666980 564801761 /nfs/dbraw/zinc/80/17/61/564801761.db2.gz DRQJCZKPUQCVNB-CABCVRRESA-N 1 0 383.583 2.505 20 0 GFADRO C[C@]1(C[C@@H]2CCC[N@@H+]2Cc2cc(F)cc(Br)c2)NC(=O)NC1=O ZINC000581436591 564801981 /nfs/dbraw/zinc/80/19/81/564801981.db2.gz VQUNJAXHJHWBBC-XJKSGUPXSA-N 1 0 384.249 2.541 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)C(=O)Nc2cccc(Br)c2Cl)CC[N@@H+]1C ZINC000581434627 564802036 /nfs/dbraw/zinc/80/20/36/564802036.db2.gz GOZOQBDJXDBSNQ-NXEZZACHSA-N 1 0 388.693 2.640 20 0 GFADRO CC(C)[C@@]1(CO)CCC[N@H+](C[C@H](O)COc2ccc(Br)cc2)C1 ZINC000555712727 564802633 /nfs/dbraw/zinc/80/26/33/564802633.db2.gz WILUDIVEVZHZHP-WMZOPIPTSA-N 1 0 386.330 2.919 20 0 GFADRO COCCN(CC[NH+](C)C)C(=O)N[C@H](C)c1ccc(Br)cc1F ZINC000461731651 564803213 /nfs/dbraw/zinc/80/32/13/564803213.db2.gz PSKJLSAKCCDAHE-GFCCVEGCSA-N 1 0 390.297 2.869 20 0 GFADRO C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1[NH2+]CC(=O)N(C)Cc1cc(Br)cs1 ZINC000528754415 564803729 /nfs/dbraw/zinc/80/37/29/564803729.db2.gz DFJKJEXXBPYAPK-RSQPEXBXSA-N 1 0 375.332 2.871 20 0 GFADRO CC(C)[NH+]1CCC(O)(CNC(=O)c2ccc(Br)c(F)c2F)CC1 ZINC000528824227 564807182 /nfs/dbraw/zinc/80/71/82/564807182.db2.gz CTRUMOWFTLQSKD-UHFFFAOYSA-N 1 0 391.256 2.692 20 0 GFADRO Cc1cc(F)c(Br)cc1S(=O)(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000461890054 564807700 /nfs/dbraw/zinc/80/77/00/564807700.db2.gz NRYLMPGQPWQPPX-SMDDNHRTSA-N 1 0 391.306 2.563 20 0 GFADRO C[C@@H](NC(=O)NCc1nc2c(cccc2Br)[nH]1)C1=CC[N@H+](C)CC1 ZINC000581652213 564812094 /nfs/dbraw/zinc/81/20/94/564812094.db2.gz VJGGAXYTFGQHQG-LLVKDONJSA-N 1 0 392.301 2.775 20 0 GFADRO O=S(=O)(Cc1ccc(Br)cc1)N1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000581657826 564812849 /nfs/dbraw/zinc/81/28/49/564812849.db2.gz QITZALKFWVAIAB-HZPDHXFCSA-N 1 0 387.343 2.885 20 0 GFADRO O=C(C[NH2+]C[C@H]1CCCO1)N[C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1 ZINC000581662066 564813049 /nfs/dbraw/zinc/81/30/49/564813049.db2.gz SSWPIEQAXJRGAQ-HUUCEWRRSA-N 1 0 386.323 2.847 20 0 GFADRO Cc1ccc(S(=O)(=O)NC[C@@H]2CCC[N@H+](CCc3cscn3)C2)cc1 ZINC000556104973 564813395 /nfs/dbraw/zinc/81/33/95/564813395.db2.gz OJHDJHGPGYCXBR-INIZCTEOSA-N 1 0 379.551 2.685 20 0 GFADRO CC[NH+](CC)CCNC(=O)[C@@H](c1ccc(Cl)cc1Cl)N1CCOCC1 ZINC000462064081 564814198 /nfs/dbraw/zinc/81/41/98/564814198.db2.gz VRKNZDKJVDYFHA-QGZVFWFLSA-N 1 0 388.339 2.825 20 0 GFADRO CC(C)[N@@H+]1CCC[C@H](NS(=O)(=O)CCc2ccccc2Br)C1 ZINC000462072487 564816137 /nfs/dbraw/zinc/81/61/37/564816137.db2.gz FGYHWBQVUQZLDW-HNNXBMFYSA-N 1 0 389.359 2.784 20 0 GFADRO O=C(N[C@H]1CCc2c1ccc(Cl)c2Cl)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000581820871 564818940 /nfs/dbraw/zinc/81/89/40/564818940.db2.gz ZOYVVTQBJDFSKO-YGRLFVJLSA-N 1 0 380.279 2.754 20 0 GFADRO CC(C)N(CC[NH+](C)C)S(=O)(=O)CCc1ccccc1Br ZINC000462107370 564819448 /nfs/dbraw/zinc/81/94/48/564819448.db2.gz ZDIKUPPQGLYNLB-UHFFFAOYSA-N 1 0 377.348 2.593 20 0 GFADRO C[NH+](C)CC1CCC(NC(=O)c2nc(C3CC3)ncc2Br)CC1 ZINC000494267759 564821235 /nfs/dbraw/zinc/82/12/35/564821235.db2.gz JJMLJICEFAPRHA-UHFFFAOYSA-N 1 0 381.318 2.967 20 0 GFADRO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N[C@H](C)Cc1ccc(Cl)cc1Cl ZINC000581888713 564821788 /nfs/dbraw/zinc/82/17/88/564821788.db2.gz QKMLQRWSZFIBJR-CHWSQXEVSA-N 1 0 388.339 2.887 20 0 GFADRO C[C@]1(Br)C[C@H]1C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000529168919 564823451 /nfs/dbraw/zinc/82/34/51/564823451.db2.gz RNVVZTKDRJXPGR-RYRKJORJSA-N 1 0 381.314 2.567 20 0 GFADRO O=C(C1CC[NH+]([C@@H]2CCSC2)CC1)N(C[C@@H]1CCCO1)[C@H]1CCSC1 ZINC000581952376 564824761 /nfs/dbraw/zinc/82/47/61/564824761.db2.gz IYRXCSKFIADJSQ-SQNIBIBYSA-N 1 0 384.611 2.717 20 0 GFADRO O=C(N[C@H]1CCN(c2cccc(Br)c2)C1)N[C@H]1CC[NH2+]C12CCC2 ZINC000529326491 564829079 /nfs/dbraw/zinc/82/90/79/564829079.db2.gz XEJVPNMCHVMRFB-HOCLYGCPSA-N 1 0 393.329 2.612 20 0 GFADRO Cc1cc(N2CCC[C@@H]([N@@H+]3C[C@@H](O)C4(CC4)C3)C2=O)ccc1Br ZINC000494418934 564829415 /nfs/dbraw/zinc/82/94/15/564829415.db2.gz PXHJXGOCQRTMRC-HZPDHXFCSA-N 1 0 379.298 2.710 20 0 GFADRO Cc1cc(Br)cn2cc(CNC(=O)N3CC[NH2+]C[C@H]3C(C)C)nc12 ZINC000529326037 564829683 /nfs/dbraw/zinc/82/96/83/564829683.db2.gz UAMAUVHVCYDAOL-HNNXBMFYSA-N 1 0 394.317 2.545 20 0 GFADRO O=C(NC[C@]1(O)C[NH+]2CCC1CC2)c1c(Br)ccc2ccccc21 ZINC000529366705 564831490 /nfs/dbraw/zinc/83/14/90/564831490.db2.gz LBLIYQFUTAZDLZ-IBGZPJMESA-N 1 0 389.293 2.789 20 0 GFADRO CC[C@H]([NH2+]CC(=O)Nc1ccc(I)cc1)[C@@H]1CCOC1 ZINC000556608375 564831823 /nfs/dbraw/zinc/83/18/23/564831823.db2.gz HIIAFGLIUOAHHN-RISCZKNCSA-N 1 0 388.249 2.634 20 0 GFADRO CC[C@@H]1CN(C(=O)NCc2ccc(Br)c(F)c2F)CC[C@H]1[NH3+] ZINC000529369043 564831843 /nfs/dbraw/zinc/83/18/43/564831843.db2.gz GEBPVCYNHMSJNB-BXKDBHETSA-N 1 0 376.245 2.996 20 0 GFADRO C[C@@H]1CCN(C(=O)NCc2ccc(Br)c(F)c2F)C[C@@H]1C[NH3+] ZINC000529370018 564831868 /nfs/dbraw/zinc/83/18/68/564831868.db2.gz LXOBNLXXEOKAHZ-KOLCDFICSA-N 1 0 376.245 2.854 20 0 GFADRO CC[C@@H]1CN(C(=O)NCc2cc(F)c(Br)cc2F)CC[C@@H]1[NH3+] ZINC000529368379 564832150 /nfs/dbraw/zinc/83/21/50/564832150.db2.gz BYIRBISOCYVAGD-OTYXRUKQSA-N 1 0 376.245 2.996 20 0 GFADRO Cc1cc([C@H]2CCCN2C(=O)NC[C@H]2COCC[NH2+]2)ccc1Br ZINC000529377430 564832170 /nfs/dbraw/zinc/83/21/70/564832170.db2.gz NXBXCODCFXJMFH-GOEBONIOSA-N 1 0 382.302 2.592 20 0 GFADRO O=C(c1c(Br)ccc2ccccc21)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000529386730 564833401 /nfs/dbraw/zinc/83/34/01/564833401.db2.gz IPYXQZUDWOFQMI-GJZGRUSLSA-N 1 0 389.293 2.883 20 0 GFADRO O=C(NC[C@H]1COCC[NH2+]1)N1CCCC[C@@H]1Cc1cccc(Br)c1 ZINC000529386512 564833423 /nfs/dbraw/zinc/83/34/23/564833423.db2.gz JPDDCIOXUIAMFT-DLBZAZTESA-N 1 0 396.329 2.544 20 0 GFADRO CC(C)[C@@H](NC(=O)c1ccccc1Br)C(=O)N[C@H](C)CCCC[NH3+] ZINC000494718278 564838332 /nfs/dbraw/zinc/83/83/32/564838332.db2.gz IAXQHVMRLFOYNZ-CZUORRHYSA-N 1 0 398.345 2.837 20 0 GFADRO O=C(CCNC(=O)N[C@@H]1CC[N@@H+](C2CC2)C1)Nc1cc(Cl)cc(Cl)c1 ZINC000556744101 564838418 /nfs/dbraw/zinc/83/84/18/564838418.db2.gz MKOCVALCMFUQBV-CYBMUJFWSA-N 1 0 385.295 2.858 20 0 GFADRO NC(=O)C[C@@H]1CCC[N@H+](Cc2c[nH]nc2-c2ccc(Br)s2)C1 ZINC000529531773 564841299 /nfs/dbraw/zinc/84/12/99/564841299.db2.gz QPJITEJBRDAFJZ-JTQLQIEISA-N 1 0 383.315 2.988 20 0 GFADRO OC[C@H]([NH2+]Cc1ccnc(-c2ccc(Br)cc2)n1)[C@H]1CCCOC1 ZINC000556816665 564841651 /nfs/dbraw/zinc/84/16/51/564841651.db2.gz SMEBRMQYVKOBHO-YOEHRIQHSA-N 1 0 392.297 2.783 20 0 GFADRO CO[C@H]1CCN(C(=O)CCCOc2cccc(Br)c2)[C@@H](C[NH3+])C1 ZINC000582355167 564842864 /nfs/dbraw/zinc/84/28/64/564842864.db2.gz YPNXBARQNBEHHN-CABCVRRESA-N 1 0 385.302 2.573 20 0 GFADRO Cc1cc(S(=O)(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)c(C)cc1Br ZINC000462486820 564843535 /nfs/dbraw/zinc/84/35/35/564843535.db2.gz SIDHFIOGYHCGNQ-STQMWFEESA-N 1 0 375.332 2.827 20 0 GFADRO C[C@@H]1CN(Cc2c[nH]nc2-c2ccc(Br)s2)C[C@H](C)[N@H+]1CCO ZINC000529596516 564843788 /nfs/dbraw/zinc/84/37/88/564843788.db2.gz QNVBCOAKBHDUSD-TXEJJXNPSA-N 1 0 399.358 2.788 20 0 GFADRO CNC(=O)NC1CC[NH+](Cc2c[nH]nc2-c2ccc(Br)s2)CC1 ZINC000529607808 564844630 /nfs/dbraw/zinc/84/46/30/564844630.db2.gz QBWLCAPFDNZDAQ-UHFFFAOYSA-N 1 0 398.330 2.794 20 0 GFADRO C[C@](O)(C[NH2+]C[C@@H](CO)Cc1ccc(OC(F)(F)F)cc1)C(F)(F)F ZINC000582421105 564846295 /nfs/dbraw/zinc/84/62/95/564846295.db2.gz WXROOGAKLZWPGD-AAEUAGOBSA-N 1 0 375.309 2.639 20 0 GFADRO CC[NH+]1CCC(NC(=O)Nc2cccc(C(=O)OC)c2Br)CC1 ZINC000495016442 564846848 /nfs/dbraw/zinc/84/68/48/564846848.db2.gz IASMKKOIXPHHKB-UHFFFAOYSA-N 1 0 384.274 2.842 20 0 GFADRO [NH3+]C[C@H]1CCCN(C(=O)[C@@H](c2ccc(Br)cc2)N2CCCC2)C1 ZINC000582545628 564851210 /nfs/dbraw/zinc/85/12/10/564851210.db2.gz VWELJFHKGPOMDI-RHSMWYFYSA-N 1 0 380.330 2.783 20 0 GFADRO C[C@H](NC(=O)CC[N@@H+]1CCc2ccccc2C1)c1ncc(Br)cn1 ZINC000557071808 564853468 /nfs/dbraw/zinc/85/34/68/564853468.db2.gz QAQCIZWUVKXNRO-ZDUSSCGKSA-N 1 0 389.297 2.865 20 0 GFADRO [NH3+][C@H]1CCC[C@@H](CNS(=O)(=O)c2c(Cl)cccc2Br)C1 ZINC000582606739 564853488 /nfs/dbraw/zinc/85/34/88/564853488.db2.gz XLRZJXDIBGHXIX-ZJUUUORDSA-N 1 0 381.723 2.898 20 0 GFADRO O[C@H](C[NH2+]Cc1cc(Br)cc(Br)c1)[C@H]1CCOC1 ZINC000582627836 564854468 /nfs/dbraw/zinc/85/44/68/564854468.db2.gz GZGDPUWCAVTKAY-GXFFZTMASA-N 1 0 379.092 2.699 20 0 GFADRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)NCCCn1cc(Br)cn1 ZINC000495440962 564854894 /nfs/dbraw/zinc/85/48/94/564854894.db2.gz ZBNILLDUNYKKGN-OKILXGFUSA-N 1 0 386.338 2.598 20 0 GFADRO C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+]Cc1ccnc2ccnn21 ZINC000495440085 564854985 /nfs/dbraw/zinc/85/49/85/564854985.db2.gz OSDJBPVZSQWEJH-LBPRGKRZSA-N 1 0 388.269 2.999 20 0 GFADRO CSc1ncc(C(=O)N2C[C@@H](SC)[C@@H]([NH+](C)C)C2)n1-c1ccccc1 ZINC000495551440 564855772 /nfs/dbraw/zinc/85/57/72/564855772.db2.gz ZNNOLZCECYVCMV-JKSUJKDBSA-N 1 0 376.551 2.712 20 0 GFADRO CC1=CC[N@H+](CCNC(=O)NCc2cc(Br)cc3c2OCC3)CC1 ZINC000462710963 564856382 /nfs/dbraw/zinc/85/63/82/564856382.db2.gz ZVXVQTSGGOKQJL-UHFFFAOYSA-N 1 0 394.313 2.835 20 0 GFADRO CCCC[N@H+](C)CCNC(=O)C(=O)N(CC)Cc1cccc(Br)c1 ZINC000557251619 564859163 /nfs/dbraw/zinc/85/91/63/564859163.db2.gz KUPFGTQFYZRZCU-UHFFFAOYSA-N 1 0 398.345 2.646 20 0 GFADRO C[C@H](NC(=O)C(=O)N1CC[C@]2(C1)CCC[NH2+]C2)c1cc(Cl)ccc1Cl ZINC000557246501 564859555 /nfs/dbraw/zinc/85/95/55/564859555.db2.gz STCRLWRDMLRVBJ-KPZWWZAWSA-N 1 0 384.307 2.773 20 0 GFADRO C[NH+](C)C[C@@H](NC(=O)[C@H]1CC(=O)N(C2CC2)C1)c1ccc(Cl)c(Cl)c1 ZINC000530032075 564860158 /nfs/dbraw/zinc/86/01/58/564860158.db2.gz OXBJAFYBHSAGMC-BLLLJJGKSA-N 1 0 384.307 2.723 20 0 GFADRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](Nc2cnn(C)c(=O)c2Br)C1 ZINC000496770938 564861581 /nfs/dbraw/zinc/86/15/81/564861581.db2.gz OAVBXPVOVWERGO-TZMCWYRMSA-N 1 0 377.286 2.790 20 0 GFADRO O=C(NCc1cc(Br)cc2c1OCC2)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000463014483 564866918 /nfs/dbraw/zinc/86/69/18/564866918.db2.gz WKJILBCTQLYCPP-JKSUJKDBSA-N 1 0 394.313 2.810 20 0 GFADRO C[C@H]1C[N@H+](C)C[C@@H]1c1nc(Cc2cc(Br)c3c(c2)OCCO3)no1 ZINC000463051389 564867675 /nfs/dbraw/zinc/86/76/75/564867675.db2.gz DPKUZJHBOVELHP-JQWIXIFHSA-N 1 0 394.269 2.859 20 0 GFADRO Cn1cc(Br)cc1-c1nnc(N2CC[N@@H+]3CCC[C@@H]3C2)n1C1CC1 ZINC000582911569 564868436 /nfs/dbraw/zinc/86/84/36/564868436.db2.gz WHHUSFBJICZLRK-CQSZACIVSA-N 1 0 391.317 2.665 20 0 GFADRO COC(=O)[C@@H](c1ccc(Cl)c(Cl)c1)N(C)CC[N@@H+]1CCCOCC1 ZINC000463092965 564869718 /nfs/dbraw/zinc/86/97/18/564869718.db2.gz ZHCPHIGOSVANPP-MRXNPFEDSA-N 1 0 375.296 2.862 20 0 GFADRO Cc1cc(N2CC[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C2=O)ccc1Br ZINC000463171603 564871861 /nfs/dbraw/zinc/87/18/61/564871861.db2.gz PTJJDOPDKTYSRT-HZPDHXFCSA-N 1 0 396.329 2.565 20 0 GFADRO CC(C)[N@H+](C[C@H](O)COc1cc(F)cc(Br)c1)[C@H]1CCOC1 ZINC000463229589 564872553 /nfs/dbraw/zinc/87/25/53/564872553.db2.gz LCSMIRPBDNZCJD-GJZGRUSLSA-N 1 0 376.266 2.827 20 0 GFADRO Cc1cc(F)c(NC(=O)N[C@H](C)C[C@H](C)[NH3+])c(I)c1 ZINC000583025365 564872629 /nfs/dbraw/zinc/87/26/29/564872629.db2.gz WKZOKTCWYBIEMA-DTWKUNHWSA-N 1 0 379.217 2.986 20 0 GFADRO CC(C)[N@H+](C[C@H](O)COc1cc(F)cc(Br)c1)[C@@H]1CCOC1 ZINC000463229588 564872658 /nfs/dbraw/zinc/87/26/58/564872658.db2.gz LCSMIRPBDNZCJD-CABCVRRESA-N 1 0 376.266 2.827 20 0 GFADRO C[C@@H]1C[C@H](N2CCOCC2)C[N@@H+]1Cc1nc2ccc(Br)cc2o1 ZINC000463216739 564872667 /nfs/dbraw/zinc/87/26/67/564872667.db2.gz XCOVQPZQYAGGEX-OCCSQVGLSA-N 1 0 380.286 2.885 20 0 GFADRO COCCOc1c(Cl)cccc1NC(=O)N1C[C@@H]([NH+](C)C)[C@@H](SC)C1 ZINC000497653303 564872608 /nfs/dbraw/zinc/87/26/08/564872608.db2.gz WBNUCLXEBQFBLS-CABCVRRESA-N 1 0 387.933 2.875 20 0 GFADRO CN1C(=O)c2ccccc2[C@@H]1C[NH2+]C[C@@H](O)c1ccc(Br)cc1 ZINC000530242534 564872737 /nfs/dbraw/zinc/87/27/37/564872737.db2.gz GJYPBNRXCWGJAO-DLBZAZTESA-N 1 0 375.266 2.899 20 0 GFADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)NCCOc3ccc(Br)cc3)[C@@H]2C1 ZINC000497691704 564873501 /nfs/dbraw/zinc/87/35/01/564873501.db2.gz PZTYFVRBVCGIFK-CZUORRHYSA-N 1 0 382.302 2.564 20 0 GFADRO COC(=O)c1cc(C[NH2+]Cc2cc3c(c(Br)c2)OCO3)cn1C ZINC000583051630 564873632 /nfs/dbraw/zinc/87/36/32/564873632.db2.gz YQIMOYAPAPTSDN-UHFFFAOYSA-N 1 0 381.226 2.593 20 0 GFADRO CSCC[C@H](CO)[NH2+]Cc1cc(Br)cc(Br)c1N ZINC000463240216 564874017 /nfs/dbraw/zinc/87/40/17/564874017.db2.gz LNSZIEVMXZQZNM-SNVBAGLBSA-N 1 0 398.164 2.997 20 0 GFADRO CC(C)(C)OC(=O)[C@@](C)(O)C[NH2+]Cc1cc(Br)cc2c1OCC2 ZINC000463283625 564874848 /nfs/dbraw/zinc/87/48/48/564874848.db2.gz NQFKPQUKNYDKTR-KRWDZBQOSA-N 1 0 386.286 2.566 20 0 GFADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)N(C)CCc1cccc(Br)c1 ZINC000463315884 564875546 /nfs/dbraw/zinc/87/55/46/564875546.db2.gz QXAQEQSPDQQRHH-QGZVFWFLSA-N 1 0 398.345 2.744 20 0 GFADRO CC[NH+](CC)CCO[C@H]1CCN(S(=O)(=O)c2c(Cl)ccc(F)c2F)C1 ZINC000557790103 564876991 /nfs/dbraw/zinc/87/69/91/564876991.db2.gz ZSWKCEYBTXLHRR-LBPRGKRZSA-N 1 0 396.887 2.740 20 0 GFADRO COC1(C)CC[NH+](C[C@@H](O)COc2cc(F)cc(Br)c2)CC1 ZINC000463369307 564877464 /nfs/dbraw/zinc/87/74/64/564877464.db2.gz RXDCTUKLGWJIDY-CQSZACIVSA-N 1 0 376.266 2.829 20 0 GFADRO CCN(CC)C(=O)C[NH2+][C@@H](C)c1ccc(Br)cc1OCCCO ZINC000463376122 564878178 /nfs/dbraw/zinc/87/81/78/564878178.db2.gz OICIHZLLQGQCBG-ZDUSSCGKSA-N 1 0 387.318 2.729 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)Cc2cccc(Br)c2)[C@H](C)C1 ZINC000557825513 564879025 /nfs/dbraw/zinc/87/90/25/564879025.db2.gz GBIFXFMERSFISY-CJNGLKHVSA-N 1 0 389.359 2.941 20 0 GFADRO Cc1cc(N2CC[C@@H]([N@H+](C)CCc3cccc(Br)c3)C2=O)n(C)n1 ZINC000463422882 564879931 /nfs/dbraw/zinc/87/99/31/564879931.db2.gz DQBYBHYJOHPURS-MRXNPFEDSA-N 1 0 391.313 2.771 20 0 GFADRO C[C@H]1C[C@@H](NC(=O)c2cnnn2-c2c(Cl)cccc2Cl)C[N@@H+]1C1CC1 ZINC000530425725 564880319 /nfs/dbraw/zinc/88/03/19/564880319.db2.gz GFIFRXLEXBDRFE-WDEREUQCSA-N 1 0 380.279 2.929 20 0 GFADRO COC(=O)[C@H](CC(C)C)NC(=O)C[N@H+](C)CCc1cccc(Br)c1 ZINC000463418702 564880412 /nfs/dbraw/zinc/88/04/12/564880412.db2.gz RLQXKXXXVIXGSH-INIZCTEOSA-N 1 0 399.329 2.627 20 0 GFADRO [NH3+]Cc1cc(C(=O)N2CCO[C@H](c3ccc(Br)cc3)C2)ccn1 ZINC000463475434 564882295 /nfs/dbraw/zinc/88/22/95/564882295.db2.gz IRTDCRRKLWLHCU-INIZCTEOSA-N 1 0 376.254 2.517 20 0 GFADRO C[C@H](NC(=O)C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2)c1ccc(Cl)cc1Cl ZINC000583253792 564883134 /nfs/dbraw/zinc/88/31/34/564883134.db2.gz SRDSCLRJRWHHRE-SGTLLEGYSA-N 1 0 384.307 2.773 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H](C(=O)NCc2noc(-c3cccc(Br)c3)n2)C1 ZINC000583261731 564883807 /nfs/dbraw/zinc/88/38/07/564883807.db2.gz DIEFGBIPESFSDG-ZWNOBZJWSA-N 1 0 379.258 2.633 20 0 GFADRO C[C@H](O)[C@H]1CCC[N@H+](Cc2ccc(Br)cc2N2CCOCC2)C1 ZINC000530494618 564884746 /nfs/dbraw/zinc/88/47/46/564884746.db2.gz DTVSXSPTCVGDNM-GJZGRUSLSA-N 1 0 383.330 2.879 20 0 GFADRO Cc1cc(Br)cc(C(=O)N2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)c1 ZINC000463597473 564885311 /nfs/dbraw/zinc/88/53/11/564885311.db2.gz MNWGFGFHIJZAKP-MAUKXSAKSA-N 1 0 394.357 2.856 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1CCC(=O)N[C@H]1CN(c2ccc(Br)cc2)C1=O ZINC000557918083 564885467 /nfs/dbraw/zinc/88/54/67/564885467.db2.gz OCJPIPIQAWAAGZ-CJNGLKHVSA-N 1 0 394.313 2.545 20 0 GFADRO COc1cc(Br)c(CN2CC[C@H](Nc3ncccn3)C2)c(OC)c1 ZINC000583322955 564886028 /nfs/dbraw/zinc/88/60/28/564886028.db2.gz NVHNPRFHOHFCRN-LBPRGKRZSA-N 1 0 393.285 2.943 20 0 GFADRO C[C@@H](NC(=O)c1cccs1)C(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000530590112 564888068 /nfs/dbraw/zinc/88/80/68/564888068.db2.gz CBLDLXWIIPMAQF-DOMZBBRYSA-N 1 0 379.913 2.939 20 0 GFADRO O[C@@H](C[NH2+][C@H]1CCN(c2ncccc2Cl)C1)COc1ccc(Cl)cc1 ZINC000583376603 564888439 /nfs/dbraw/zinc/88/84/39/564888439.db2.gz WGUYPPIEORPHMI-GJZGRUSLSA-N 1 0 382.291 2.997 20 0 GFADRO C[N@@H+]1CC[C@@H](CNC(=O)c2c(Cl)cccc2I)C1 ZINC000463759831 564889124 /nfs/dbraw/zinc/88/91/24/564889124.db2.gz LJXUUAZUZANZSD-VIFPVBQESA-N 1 0 378.641 2.626 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)N1CC[C@](O)(C(F)(F)F)C1)c1ccc(Cl)cc1 ZINC000530638428 564890559 /nfs/dbraw/zinc/89/05/59/564890559.db2.gz DBKBGCRMZFKIOV-UKRRQHHQSA-N 1 0 379.810 2.651 20 0 GFADRO C[C@@H]1COCCN1CC[NH2+]Cc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000558180933 564895540 /nfs/dbraw/zinc/89/55/40/564895540.db2.gz DEXZJVTVMRMFSV-CYBMUJFWSA-N 1 0 379.302 2.650 20 0 GFADRO C[NH+](C)CCCCNC(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1 ZINC000498351254 564896793 /nfs/dbraw/zinc/89/67/93/564896793.db2.gz BDOUDGRABIIEKY-UHFFFAOYSA-N 1 0 386.945 2.885 20 0 GFADRO O=C(NCCCC[NH+]1CCOCC1)[C@H]1C[C@@H]1c1ccc(Br)cc1 ZINC000498428776 564898780 /nfs/dbraw/zinc/89/87/80/564898780.db2.gz GSXBUZODHBQYPI-SJORKVTESA-N 1 0 381.314 2.781 20 0 GFADRO Cc1cc(N2C[C@@H](C(=O)N[C@@H](C)CC[NH+](C)C)CC2=O)ccc1Br ZINC000498644664 564904349 /nfs/dbraw/zinc/90/43/49/564904349.db2.gz GWOGMTZCVAILQQ-KBPBESRZSA-N 1 0 396.329 2.567 20 0 GFADRO CC[NH+](CC)CCN(C(=O)c1ccc(C(C)C)s1)[C@H]1CCS(=O)(=O)C1 ZINC000558547552 564905591 /nfs/dbraw/zinc/90/55/91/564905591.db2.gz UVUIXRRYDOXJFL-HNNXBMFYSA-N 1 0 386.583 2.843 20 0 GFADRO C[C@H](NC(=O)C(=O)N(C)CC[N@H+](C)C1CC1)c1cc(F)c(Cl)cc1Cl ZINC000583766361 564905870 /nfs/dbraw/zinc/90/58/70/564905870.db2.gz HBSOSUSCPWBMCD-JTQLQIEISA-N 1 0 390.286 2.862 20 0 GFADRO C[C@@H]1CC[N@H+](C)CCN1C(=O)[C@@H]1CCN(c2cc(Cl)ccc2Cl)C1=O ZINC000498710983 564905927 /nfs/dbraw/zinc/90/59/27/564905927.db2.gz RTAWJYQNDJWQAS-OCCSQVGLSA-N 1 0 384.307 2.899 20 0 GFADRO C[C@H]1CC[N@H+](C)CCN1C(=O)c1ccc(I)c(F)c1 ZINC000498709509 564906031 /nfs/dbraw/zinc/90/60/31/564906031.db2.gz JXFYWLLGVNSQDB-JTQLQIEISA-N 1 0 376.213 2.597 20 0 GFADRO Cc1csc(-c2cccc(S(=O)(=O)NC[C@@H]3CC[N@@H+](C4CC4)C3)c2)n1 ZINC000558565027 564906090 /nfs/dbraw/zinc/90/60/90/564906090.db2.gz QYHDQARTGRDOGN-AWEZNQCLSA-N 1 0 377.535 2.881 20 0 GFADRO CC[C@@H](C(=O)NCC(=O)Nc1ccc(Br)c(C)c1)[NH+](CC)CC ZINC000531295616 564906797 /nfs/dbraw/zinc/90/67/97/564906797.db2.gz VGKMTQGCMYZDAV-HNNXBMFYSA-N 1 0 384.318 2.933 20 0 GFADRO Cc1c(Br)ccnc1NC(=O)NCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000583860920 564910926 /nfs/dbraw/zinc/91/09/26/564910926.db2.gz XTKMPXZAWQPPDV-RYUDHWBXSA-N 1 0 385.306 2.773 20 0 GFADRO C[C@@H](C1CC[NH+](C)CC1)N(C)S(=O)(=O)c1ccc(F)cc1Br ZINC000498879820 564911732 /nfs/dbraw/zinc/91/17/32/564911732.db2.gz HWFFAXFNIZYIBN-NSHDSACASA-N 1 0 393.322 2.939 20 0 GFADRO C[C@]1(CNC(=O)N2CCO[C@H](c3ccc(Br)cc3)C2)CCC[NH2+]C1 ZINC000583921579 564912924 /nfs/dbraw/zinc/91/29/24/564912924.db2.gz OXMSDLZJGANBAB-WMZOPIPTSA-N 1 0 396.329 2.922 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)NCc2n[nH]cc2Br)C[N@@H+]1Cc1ccccc1 ZINC000531550191 564913186 /nfs/dbraw/zinc/91/31/86/564913186.db2.gz VTFFDBBTKPYPID-OCCSQVGLSA-N 1 0 392.301 2.634 20 0 GFADRO CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H](O)COc2cccc(Br)c2)C1 ZINC000583990246 564915085 /nfs/dbraw/zinc/91/50/85/564915085.db2.gz PSOUFDZLXJSMTQ-VHDGCEQUSA-N 1 0 386.286 2.510 20 0 GFADRO COc1nnc(NC(=O)NC[C@H](c2cccc(Cl)c2)N2CCCC2)s1 ZINC000558811641 564915737 /nfs/dbraw/zinc/91/57/37/564915737.db2.gz GSGPOEQNCVNULM-CYBMUJFWSA-N 1 0 381.889 3.159 20 0 GFADRO C[NH2+]CCCC(=O)N1CCC(NC(=O)Nc2ccc(Br)cc2)CC1 ZINC000584005671 564916041 /nfs/dbraw/zinc/91/60/41/564916041.db2.gz CWZVDZOMHIBMLB-UHFFFAOYSA-N 1 0 397.317 2.561 20 0 GFADRO CC[C@H](CO)[NH+]1CCN([C@@H](C(=O)OC)c2ccc(Cl)cc2Cl)CC1 ZINC000464765976 564917248 /nfs/dbraw/zinc/91/72/48/564917248.db2.gz BCMCJZPAMUQYEQ-CZUORRHYSA-N 1 0 375.296 2.596 20 0 GFADRO OC1(C(F)(F)F)CCC([NH2+]C[C@@H](c2cccs2)N2CCOCC2)CC1 ZINC000531677135 564917992 /nfs/dbraw/zinc/91/79/92/564917992.db2.gz RSJLJUZRDGNYDZ-BBBYJDLNSA-N 1 0 378.460 2.947 20 0 GFADRO Cc1cnccc1CC[NH2+]CCS(=O)(=O)c1cccc(Br)c1 ZINC000584048086 564918058 /nfs/dbraw/zinc/91/80/58/564918058.db2.gz BZCXMTWTXUUSSB-UHFFFAOYSA-N 1 0 383.311 2.759 20 0 GFADRO OC1(C(F)(F)F)CCC([NH2+]C[C@H](c2cccs2)N2CCOCC2)CC1 ZINC000531677136 564918084 /nfs/dbraw/zinc/91/80/84/564918084.db2.gz RSJLJUZRDGNYDZ-NPCAHTBFSA-N 1 0 378.460 2.947 20 0 GFADRO CC[C@H]1C[N@H+](CC(=O)N2CCN(Cc3cccc(Cl)c3)CC2)CCS1 ZINC000464792031 564918300 /nfs/dbraw/zinc/91/83/00/564918300.db2.gz VPLTTZHBYMWLFR-SFHVURJKSA-N 1 0 381.973 2.812 20 0 GFADRO O=C(NCC[C@H](O)C(F)(F)F)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000499137499 564919511 /nfs/dbraw/zinc/91/95/11/564919511.db2.gz YIPIHDPKIFHHHH-AWEZNQCLSA-N 1 0 379.448 2.573 20 0 GFADRO CC[NH+](CC)C[C@H](C)NC(=O)c1cccc(F)c1I ZINC000533543763 564965024 /nfs/dbraw/zinc/96/50/24/564965024.db2.gz GXIXCZNHXGWWJB-JTQLQIEISA-N 1 0 378.229 2.890 20 0 GFADRO O=C(NC[C@H]1C[NH2+]CCO1)NCC1(c2ccc(Br)cc2)CCCC1 ZINC000584102638 564920865 /nfs/dbraw/zinc/92/08/65/564920865.db2.gz ZMRVSQJSBYKEPF-MRXNPFEDSA-N 1 0 396.329 2.549 20 0 GFADRO COc1ccc(Br)cc1C(=O)CCC(=O)N1CCC[C@H]1C[NH+](C)C ZINC000464936545 564921539 /nfs/dbraw/zinc/92/15/39/564921539.db2.gz VWBLMPSMCHRHOI-AWEZNQCLSA-N 1 0 397.313 2.973 20 0 GFADRO CCN(CC)C(=O)C[C@H](C)[NH2+]C[C@@H](O)COc1cccc(Cl)c1Cl ZINC000531951018 564924898 /nfs/dbraw/zinc/92/48/98/564924898.db2.gz ZFJYWBSZGIOGOC-QWHCGFSZSA-N 1 0 377.312 2.970 20 0 GFADRO Cc1cc(Br)cn2cc(CNC(=O)N[C@H](C)C[N@H+](C)C(C)C)nc12 ZINC000584265232 564928046 /nfs/dbraw/zinc/92/80/46/564928046.db2.gz VSLMMGOTNVPWDB-CYBMUJFWSA-N 1 0 396.333 2.933 20 0 GFADRO C[NH+](C)CCN(C1CCCCC1)S(=O)(=O)c1ccc(Br)cn1 ZINC000465495365 564928929 /nfs/dbraw/zinc/92/89/29/564928929.db2.gz QJMKRZREQXEKFV-UHFFFAOYSA-N 1 0 390.347 2.729 20 0 GFADRO C[C@@H]1CC[N@H+](CCNC(=O)c2ccc(F)c(I)c2)C1 ZINC000532165626 564931473 /nfs/dbraw/zinc/93/14/73/564931473.db2.gz UWFBXFIWSNWBTJ-SNVBAGLBSA-N 1 0 376.213 2.502 20 0 GFADRO CCS[C@@H]1CCCC[C@H]1NC(=O)C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000559394644 564932358 /nfs/dbraw/zinc/93/23/58/564932358.db2.gz YYEIMDDHRRDLMG-QLFBSQMISA-N 1 0 383.583 2.648 20 0 GFADRO OC[C@]1([C@H]([NH2+]CCOc2cc(F)cc(Br)c2)C2CC2)CCCO1 ZINC000559465881 564933648 /nfs/dbraw/zinc/93/36/48/564933648.db2.gz CZQKOBUZHXVOQM-SJORKVTESA-N 1 0 388.277 2.877 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@@H](C)Oc1ccc(Br)cc1 ZINC000466014607 564935517 /nfs/dbraw/zinc/93/55/17/564935517.db2.gz ZGAJYBWGEFVSBO-HIFRSBDPSA-N 1 0 384.318 3.000 20 0 GFADRO C[C@@H](CNC(=O)N1CCC[C@H]([NH+](C)C)C1)Oc1cccc(Br)c1 ZINC000466295224 564936500 /nfs/dbraw/zinc/93/65/00/564936500.db2.gz CSQGBRUVRJOACI-ZFWWWQNUSA-N 1 0 384.318 2.952 20 0 GFADRO CCc1cnc(CCNC(=O)N2CCN(CCc3cccs3)CC2)s1 ZINC000466331257 564938376 /nfs/dbraw/zinc/93/83/76/564938376.db2.gz PMUGNUVKXHMHPK-UHFFFAOYSA-N 1 0 378.567 2.879 20 0 GFADRO COCCOCC[NH2+][C@@H]1CCCOc2ccc(I)cc21 ZINC000532465468 564939011 /nfs/dbraw/zinc/93/90/11/564939011.db2.gz RTHUOPFQKITGDL-CQSZACIVSA-N 1 0 391.249 2.758 20 0 GFADRO CN1CC[N@H+](Cc2cc(=O)n3cc(Br)ccc3n2)Cc2ccccc21 ZINC000532546950 564940167 /nfs/dbraw/zinc/94/01/67/564940167.db2.gz LSGJQOCVEKFXPO-UHFFFAOYSA-N 1 0 399.292 2.909 20 0 GFADRO CS(=O)(=O)CC1CCC([NH2+]CCOc2ncc(Cl)cc2Cl)CC1 ZINC000559788989 564940513 /nfs/dbraw/zinc/94/05/13/564940513.db2.gz LYJGYUQOVSKMBD-UHFFFAOYSA-N 1 0 381.325 2.960 20 0 GFADRO O=c1cc(C[N@@H+]2CCC[C@@]3(CCCOC3)C2)nc2ccc(Br)cn12 ZINC000532569826 564940866 /nfs/dbraw/zinc/94/08/66/564940866.db2.gz VLJQGSXNDHLZQW-GOSISDBHSA-N 1 0 392.297 2.850 20 0 GFADRO C[C@H](CNC(=O)C(=O)Nc1ccc(Br)c2ccccc12)C[NH+](C)C ZINC000559972030 564943238 /nfs/dbraw/zinc/94/32/38/564943238.db2.gz CZNTUTAUSCUREW-GFCCVEGCSA-N 1 0 392.297 2.855 20 0 GFADRO C[C@H]1CN(C(=O)Nc2cc(Cl)c(Cl)cn2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000466661553 564945056 /nfs/dbraw/zinc/94/50/56/564945056.db2.gz SGUGPYZQCFAEBY-WFASDCNBSA-N 1 0 386.327 2.878 20 0 GFADRO Ic1cccc(C[NH2+]CCCOC[C@@H]2CCOC2)c1 ZINC000560050140 564947202 /nfs/dbraw/zinc/94/72/02/564947202.db2.gz ANAFFSKJADQRBY-AWEZNQCLSA-N 1 0 375.250 2.824 20 0 GFADRO C[NH+](C)CCN(Cc1ccccn1)S(=O)(=O)c1ccccc1Br ZINC000500422758 564952943 /nfs/dbraw/zinc/95/29/43/564952943.db2.gz QPENKVSHDPXUNU-UHFFFAOYSA-N 1 0 398.326 2.597 20 0 GFADRO C[C@@H]1CCC[N@H+](CCNC(=O)c2cccc(F)c2I)C1 ZINC000533085717 564953583 /nfs/dbraw/zinc/95/35/83/564953583.db2.gz DYHCWIWZZXPCET-LLVKDONJSA-N 1 0 390.240 2.892 20 0 GFADRO COC(=O)c1ccc(C[NH2+]CCN(C)CC(F)(F)F)c(Br)c1 ZINC000560241932 564953980 /nfs/dbraw/zinc/95/39/80/564953980.db2.gz DBBYGBRNRFZBFN-UHFFFAOYSA-N 1 0 383.208 2.819 20 0 GFADRO C[C@H](C[NH2+][C@H]1CCC[C@@H]1CNS(C)(=O)=O)c1cccc(Br)c1 ZINC000500497444 564955463 /nfs/dbraw/zinc/95/54/63/564955463.db2.gz KINKHXVXERSMKQ-XPKDYRNWSA-N 1 0 389.359 2.860 20 0 GFADRO O[C@H](COC[C@H]1CCCO1)CN1CCc2c(F)ccc(Br)c2C1 ZINC000560278687 564956207 /nfs/dbraw/zinc/95/62/07/564956207.db2.gz HYDZLZZRKTVROG-QWHCGFSZSA-N 1 0 388.277 2.503 20 0 GFADRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NS(=O)(=O)c1cncc(Cl)c1 ZINC000533175804 564957282 /nfs/dbraw/zinc/95/72/82/564957282.db2.gz SVTGSGLJFZOKLA-KBXCAEBGSA-N 1 0 379.913 2.924 20 0 GFADRO C[C@H](Cc1cnccn1)[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000560344213 564958750 /nfs/dbraw/zinc/95/87/50/564958750.db2.gz JMJSLIZCCOYOJS-CQSZACIVSA-N 1 0 391.313 2.797 20 0 GFADRO CC[NH+]1CCN(CC(=O)N[C@@H](C)CCc2ccc(Br)cc2)CC1 ZINC000467294324 564960436 /nfs/dbraw/zinc/96/04/36/564960436.db2.gz WYDCWKFCBKWDJQ-HNNXBMFYSA-N 1 0 382.346 2.524 20 0 GFADRO C[C@H](CNC(=O)c1cc(I)c(F)cc1F)[NH+]1CCCC1 ZINC000533404149 564962237 /nfs/dbraw/zinc/96/22/37/564962237.db2.gz KAGAGOJZRCABCL-SECBINFHSA-N 1 0 394.203 2.784 20 0 GFADRO CCS(=O)(=O)N1CCC([C@H](C)[N@H+](C)Cc2ncc(CSC)s2)CC1 ZINC000560533504 564966299 /nfs/dbraw/zinc/96/62/99/564966299.db2.gz LYRKGGDRKVOVNM-ZDUSSCGKSA-N 1 0 391.628 2.888 20 0 GFADRO CCC[C@H](C)C(=O)NCC[NH2+]Cc1ccc(C(=O)OC)cc1Br ZINC000560554585 564967211 /nfs/dbraw/zinc/96/72/11/564967211.db2.gz AIFQRUDMPKDIJD-LBPRGKRZSA-N 1 0 385.302 2.878 20 0 GFADRO CCC[N@@H+]1CCC[C@H]1CNC(=O)NCc1nc(C)c(Br)s1 ZINC000560539598 564967381 /nfs/dbraw/zinc/96/73/81/564967381.db2.gz GVJOWQNETUXFDD-NSHDSACASA-N 1 0 375.336 2.888 20 0 GFADRO C[C@H](NC(=O)c1ccc(Br)cc1)C(=O)N(C)CCC[NH+]1CCCC1 ZINC000467675119 564969455 /nfs/dbraw/zinc/96/94/55/564969455.db2.gz XLHAJJOKKUXJMV-AWEZNQCLSA-N 1 0 396.329 2.512 20 0 GFADRO C[C@@H](CC(F)(F)F)[NH2+][C@@H](C)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000468044452 564977620 /nfs/dbraw/zinc/97/76/20/564977620.db2.gz IEKMTWAQZMFXCG-STQMWFEESA-N 1 0 380.432 2.699 20 0 GFADRO CC[N@H+](CCNC(=O)C(=O)N[C@@H](C)Cc1ccc(Cl)cc1Cl)C(C)C ZINC000560876514 564978390 /nfs/dbraw/zinc/97/83/90/564978390.db2.gz OAUHOLOOWJOYQA-ZDUSSCGKSA-N 1 0 388.339 2.887 20 0 GFADRO CCn1c2ccccc2nc1SCC(=O)N1C[C@@H](SC)[C@@H]([NH+](C)C)C1 ZINC000534093278 564979622 /nfs/dbraw/zinc/97/96/22/564979622.db2.gz GZBNGDVDHQOKRO-JKSUJKDBSA-N 1 0 378.567 2.652 20 0 GFADRO C[NH+](C)[C@@]1(CNS(=O)(=O)Cc2ccc(Cl)cc2Cl)CCSC1 ZINC000501443964 564980668 /nfs/dbraw/zinc/98/06/68/564980668.db2.gz WZBOSWNFBLTQLD-CQSZACIVSA-N 1 0 383.366 2.850 20 0 GFADRO CC[C@H](NC(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C)[C@@H](O)C(F)(F)F ZINC000534292561 564984516 /nfs/dbraw/zinc/98/45/16/564984516.db2.gz YNWSRZXXFRCAMV-MELADBBJSA-N 1 0 381.826 2.944 20 0 GFADRO O=S1(=O)CCC(O)(C[N@H+](Cc2ccc(Cl)c(Cl)c2)C2CC2)CC1 ZINC000534316989 564985417 /nfs/dbraw/zinc/98/54/17/564985417.db2.gz PLSCBOLJPNAFPJ-UHFFFAOYSA-N 1 0 378.321 2.898 20 0 GFADRO OC[C@]1([C@H]([NH2+]Cc2cnc3ccc(Br)cn23)C2CC2)CCCO1 ZINC000561320221 564990769 /nfs/dbraw/zinc/99/07/69/564990769.db2.gz DKSXTFRCQYCNOD-SJORKVTESA-N 1 0 380.286 2.507 20 0 GFADRO CS[C@@H]1CN(C(=O)c2cn(C)nc2-c2ccccc2Cl)C[C@@H]1[NH+](C)C ZINC000534827779 564996858 /nfs/dbraw/zinc/99/68/58/564996858.db2.gz QFWJBXPCJCMJDS-JKSUJKDBSA-N 1 0 378.929 2.858 20 0 GFADRO C[C@@H](Cn1cc(Br)cn1)[NH2+]CC1(N(C)C)Cc2ccccc2C1 ZINC000468904332 564998497 /nfs/dbraw/zinc/99/84/97/564998497.db2.gz HWEOGWQWGLXDFM-AWEZNQCLSA-N 1 0 377.330 2.723 20 0 GFADRO CS[C@@H]1CN([C@H](C)C(=O)Nc2cccc(Br)c2)C[C@@H]1[NH+](C)C ZINC000534951384 565000296 /nfs/dbraw/zinc/00/02/96/565000296.db2.gz BPMMOWSALDNBRB-BYCMXARLSA-N 1 0 386.359 2.754 20 0 GFADRO CS[C@@H]1CN([C@@H](C)C(=O)Nc2cccc(Br)c2)C[C@@H]1[NH+](C)C ZINC000534951389 565000693 /nfs/dbraw/zinc/00/06/93/565000693.db2.gz BPMMOWSALDNBRB-TUKIKUTGSA-N 1 0 386.359 2.754 20 0 GFADRO NC(=O)CCC1CC[NH+](CC(=O)NCCc2cccc(Cl)c2Cl)CC1 ZINC000502541695 565001323 /nfs/dbraw/zinc/00/13/23/565001323.db2.gz UEMDXTSFQOAUTA-UHFFFAOYSA-N 1 0 386.323 2.630 20 0 GFADRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)[C@H](C)c3ccc(Br)s3)[C@H]2C1 ZINC000502633659 565003040 /nfs/dbraw/zinc/00/30/40/565003040.db2.gz BDVKZLGJZKFCDQ-FRRDWIJNSA-N 1 0 387.343 2.936 20 0 GFADRO CC[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000561608725 565003654 /nfs/dbraw/zinc/00/36/54/565003654.db2.gz HYNOCJUVTVXSAB-CABCVRRESA-N 1 0 386.323 2.593 20 0 GFADRO COC(=O)CC[N@H+](CCOc1ccccc1Br)C[C@@H]1CCCO1 ZINC000535075168 565004923 /nfs/dbraw/zinc/00/49/23/565004923.db2.gz VITRXMXNAAORTE-AWEZNQCLSA-N 1 0 386.286 2.872 20 0 GFADRO CSCC[C@H]([NH2+]Cc1cnc2c(C)cc(Br)cn12)C(=O)N(C)C ZINC000561756538 565007894 /nfs/dbraw/zinc/00/78/94/565007894.db2.gz GSMHXKKPGVFTIR-AWEZNQCLSA-N 1 0 399.358 2.705 20 0 GFADRO C[NH+](C)[C@@H](CNc1ncc(I)cn1)Cc1ccccc1 ZINC000535261286 565009095 /nfs/dbraw/zinc/00/90/95/565009095.db2.gz NPYPBNJTOIAYBQ-CQSZACIVSA-N 1 0 382.249 2.666 20 0 GFADRO C[C@H](CC[NH+](C)C)NC(=O)Nc1cccc(F)c1I ZINC000535465495 565013717 /nfs/dbraw/zinc/01/37/17/565013717.db2.gz ZHBUBBAITMLNFH-SECBINFHSA-N 1 0 379.217 2.892 20 0 GFADRO O=S(=O)(CCOc1ccccc1)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000561991593 565014766 /nfs/dbraw/zinc/01/47/66/565014766.db2.gz YVHBLFLGVBRDRZ-KRWDZBQOSA-N 1 0 380.535 2.883 20 0 GFADRO CS[C@H]1CN(C(=O)c2csc(Cc3ccccc3F)n2)C[C@@H]1[NH+](C)C ZINC000535543125 565015259 /nfs/dbraw/zinc/01/52/59/565015259.db2.gz QDNGPLGYHMZUAN-HOTGVXAUSA-N 1 0 379.526 2.991 20 0 GFADRO C[N@H+](CCNC(=O)[C@@H](c1ccc(Br)cc1)N1CCCC1)C1CC1 ZINC000503410105 565018853 /nfs/dbraw/zinc/01/88/53/565018853.db2.gz VXIYJDZMPBOCCY-QGZVFWFLSA-N 1 0 380.330 2.796 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)[C@H]2CC(=O)Nc3ccc(Br)cc32)C1 ZINC000469548990 565020200 /nfs/dbraw/zinc/02/02/00/565020200.db2.gz FTGJUDINLXYREL-GUTXKFCHSA-N 1 0 394.313 2.864 20 0 GFADRO CN(C)C(=O)CC[NH+]1CCN(Cc2c(Cl)cc(Cl)cc2N(C)C)CC1 ZINC000562200664 565020391 /nfs/dbraw/zinc/02/03/91/565020391.db2.gz TZLNDTXAHUUAED-UHFFFAOYSA-N 1 0 387.355 2.655 20 0 GFADRO CC[C@@H](C[N@H+](C)[C@@H](C)C(=O)NC(=O)NC)Oc1ccc(Cl)c(Cl)c1 ZINC000469752555 565026320 /nfs/dbraw/zinc/02/63/20/565026320.db2.gz NVNWQHBNAFKCAO-QWRGUYRKSA-N 1 0 376.284 2.927 20 0 GFADRO CC[C@H](C[N@H+](C)[C@H](C)C(=O)NC(=O)NC)Oc1ccc(Cl)c(Cl)c1 ZINC000469752553 565026405 /nfs/dbraw/zinc/02/64/05/565026405.db2.gz NVNWQHBNAFKCAO-GHMZBOCLSA-N 1 0 376.284 2.927 20 0 GFADRO C[C@H](CO)[N@@H+]1CCCN(Cc2cc(Br)ccc2OC(F)F)CC1 ZINC000469850946 565030004 /nfs/dbraw/zinc/03/00/04/565030004.db2.gz XCSNUUOPZNKTFN-GFCCVEGCSA-N 1 0 393.272 2.939 20 0 GFADRO CCOc1cc(CN2CC[C@H](OC)C[C@H]2C[NH3+])cc(Br)c1OC ZINC000469885049 565031192 /nfs/dbraw/zinc/03/11/92/565031192.db2.gz RSFVJKTZCDGBGJ-KBPBESRZSA-N 1 0 387.318 2.795 20 0 GFADRO O=C(CCc1nc2cc(Cl)ccc2s1)NC[C@H]1CCCC[N@H+]1CCO ZINC000562556236 565033534 /nfs/dbraw/zinc/03/35/34/565033534.db2.gz FXLRIOGUSGGJAU-CQSZACIVSA-N 1 0 381.929 2.845 20 0 GFADRO O=S1(=O)CCO[C@@H](C[NH2+][C@@H]2CCCCc3ccc(Br)cc32)C1 ZINC000562562814 565033734 /nfs/dbraw/zinc/03/37/34/565033734.db2.gz SBFAAEGAHMMSQJ-GOEBONIOSA-N 1 0 388.327 2.620 20 0 GFADRO CC1CC[NH+](CCCNC(=O)N[C@@H](CO)c2ccc(Br)cc2)CC1 ZINC000504080562 565035028 /nfs/dbraw/zinc/03/50/28/565035028.db2.gz IXWWZUCYLPKCOD-KRWDZBQOSA-N 1 0 398.345 2.904 20 0 GFADRO CC[N@H+](CCO)CCNC(=O)NCC(C)(C)c1c(Cl)cccc1Cl ZINC000470081910 565037263 /nfs/dbraw/zinc/03/72/63/565037263.db2.gz HECFQMFFSHPBNN-UHFFFAOYSA-N 1 0 376.328 2.884 20 0 GFADRO C[C@@H](CO)[N@@H+]1CCCN(C(=O)C2(c3ccc(Br)cc3)CCC2)CC1 ZINC000470077859 565037300 /nfs/dbraw/zinc/03/73/00/565037300.db2.gz BGLVUQWJCPWMFL-HNNXBMFYSA-N 1 0 395.341 2.786 20 0 GFADRO CC[NH+]1CCN(CC(=O)Nc2cc(Br)ccc2NC(C)C)CC1 ZINC000470084446 565038267 /nfs/dbraw/zinc/03/82/67/565038267.db2.gz VPAHRGSJLVTENL-UHFFFAOYSA-N 1 0 383.334 2.845 20 0 GFADRO Cc1ccc(C(=O)Nc2cc(Br)ccc2N2CC[NH+](C)CC2)nn1 ZINC000562724217 565039588 /nfs/dbraw/zinc/03/95/88/565039588.db2.gz XZPLYPCQOSSJTK-UHFFFAOYSA-N 1 0 390.285 2.552 20 0 GFADRO C[C@H]1CN(C(=O)Nc2cccc(Oc3ncc(Br)cn3)c2)CC[NH2+]1 ZINC000562750421 565041452 /nfs/dbraw/zinc/04/14/52/565041452.db2.gz QGNJYBLAVWWCMS-NSHDSACASA-N 1 0 392.257 2.857 20 0 GFADRO Cc1ccc(Cc2cnc(NC(=O)NC[C@H]3C[NH2+]CCO3)s2)cc1Cl ZINC000562746804 565041593 /nfs/dbraw/zinc/04/15/93/565041593.db2.gz SNBIYHYMSLDOOY-CYBMUJFWSA-N 1 0 380.901 2.806 20 0 GFADRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N[C@@H](CO)c2ccc(Br)cc2)C1 ZINC000504666159 565042906 /nfs/dbraw/zinc/04/29/06/565042906.db2.gz PBXOQKHRFWEECA-YOEHRIQHSA-N 1 0 398.345 2.902 20 0 GFADRO CC[N@H+](CCO)CCNC(=O)Nc1ccc(OCC(F)(F)F)c(Cl)c1 ZINC000504989349 565047480 /nfs/dbraw/zinc/04/74/80/565047480.db2.gz VFKGFCCLRSNHJE-UHFFFAOYSA-N 1 0 383.798 2.717 20 0 GFADRO C[NH+](C)CCn1nccc1NC(=O)NCCOc1cccc(Cl)c1Cl ZINC000562914741 565047776 /nfs/dbraw/zinc/04/77/76/565047776.db2.gz VDTQPABIRKXMOQ-UHFFFAOYSA-N 1 0 386.283 2.952 20 0 GFADRO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CCn1cnnc1C1CC1 ZINC000536861906 565048154 /nfs/dbraw/zinc/04/81/54/565048154.db2.gz DZQTXEORFOZIFG-GFCCVEGCSA-N 1 0 392.301 2.925 20 0 GFADRO [NH3+]C[C@@H](NC(=O)Cc1cc2c(cc1Br)OCCO2)C1CCCCC1 ZINC000562976553 565050817 /nfs/dbraw/zinc/05/08/17/565050817.db2.gz BASMROFBLIUAIK-OAHLLOKOSA-N 1 0 397.313 2.787 20 0 GFADRO C[C@@H]1CN(C[C@@H](O)C[NH2+]Cc2cc(Cl)ccc2OC(F)F)C[C@@H](C)O1 ZINC000562989253 565051234 /nfs/dbraw/zinc/05/12/34/565051234.db2.gz GFDQIFHGOBJDPZ-JMSVASOKSA-N 1 0 378.847 2.501 20 0 GFADRO C[C@H](CNS(=O)(=O)Cc1ccc(Br)cc1)[N@@H+]1CCC[C@H](C)C1 ZINC000470753485 565054796 /nfs/dbraw/zinc/05/47/96/565054796.db2.gz BSUYVVZGNSXCHM-UONOGXRCSA-N 1 0 389.359 2.989 20 0 GFADRO C[C@H](NC(=O)[C@@H]1CC[NH2+][C@H]1C)c1nc(-c2ccc(Br)cc2)no1 ZINC000563090437 565055240 /nfs/dbraw/zinc/05/52/40/565055240.db2.gz QQHLFJKKFLDTOX-OUJBWJOFSA-N 1 0 379.258 2.674 20 0 GFADRO Cc1csc(C(=O)N2CCC[C@@H](CC[NH3+])C2)c1I ZINC000563109609 565055857 /nfs/dbraw/zinc/05/58/57/565055857.db2.gz UCVOOTRWRWOEDE-JTQLQIEISA-N 1 0 378.279 2.862 20 0 GFADRO C[C@@H](CNC(=O)C1(c2cccc(Br)c2)CC(=O)C1)[N@H+](C)C1CC1 ZINC000537247212 565055895 /nfs/dbraw/zinc/05/58/95/565055895.db2.gz VOZCYDQOKXKYFD-LBPRGKRZSA-N 1 0 379.298 2.649 20 0 GFADRO CS[C@@H]1CN([C@H](C)C(=O)Nc2ccccc2Br)C[C@H]1[NH+](C)C ZINC000537272815 565056385 /nfs/dbraw/zinc/05/63/85/565056385.db2.gz FUDCTLXBKGEGDN-KCPJHIHWSA-N 1 0 386.359 2.754 20 0 GFADRO [NH3+]C1(c2noc(CCOc3ccccc3I)n2)CCC1 ZINC000563120692 565056436 /nfs/dbraw/zinc/05/64/36/565056436.db2.gz DPQRFBCYDITASG-UHFFFAOYSA-N 1 0 385.205 2.634 20 0 GFADRO O=C(NCCC1=CC[NH2+]CC1)Nc1nnc(-c2c(F)cccc2Cl)s1 ZINC000584339071 565076850 /nfs/dbraw/zinc/07/68/50/565076850.db2.gz GRLCYVDKSKNRTI-UHFFFAOYSA-N 1 0 381.864 3.429 20 0 GFADRO [NH3+]C1C[C@H]2CC[C@@H](C1)C2NS(=O)(=O)c1ccc(Br)c(Cl)c1 ZINC000584529495 565086675 /nfs/dbraw/zinc/08/66/75/565086675.db2.gz KGJQXDIMZMARGU-HZNSRWLBSA-N 1 0 393.734 2.897 20 0 GFADRO C[C@H](CC[NH+](C)C)NS(=O)(=O)Cc1cc(Cl)ccc1Br ZINC000584587879 565089304 /nfs/dbraw/zinc/08/93/04/565089304.db2.gz IDVPRKBEHVAXBW-SNVBAGLBSA-N 1 0 383.739 2.862 20 0 GFADRO Cc1sc(NC(=O)CN2C[C@H]3C[NH2+]C[C@@H]3C2)nc1-c1ccc(Cl)cc1 ZINC000613995571 565089576 /nfs/dbraw/zinc/08/95/76/565089576.db2.gz JXBTXYWELTYEJP-ZIAGYGMSSA-N 1 0 376.913 2.862 20 0 GFADRO COCC[N@@H+]1CCC[C@H](NC(=O)C(C)(C)c2ccccc2Br)C1 ZINC000684966183 565091779 /nfs/dbraw/zinc/09/17/79/565091779.db2.gz DOQAZKVOWLZJKT-AWEZNQCLSA-N 1 0 383.330 2.954 20 0 GFADRO C[C@H]1COCCN1CC[NH2+]C1(c2cccc(Br)c2)CCOCC1 ZINC000685002529 565093115 /nfs/dbraw/zinc/09/31/15/565093115.db2.gz WHXIMMJIIJREEF-HNNXBMFYSA-N 1 0 383.330 2.765 20 0 GFADRO C[NH+](C)C[C@@]1(O)CCCN(C(=O)c2cc3cc(Br)sc3[nH]2)C1 ZINC000614068709 565094490 /nfs/dbraw/zinc/09/44/90/565094490.db2.gz ONTLYPFBIZXZLQ-HNNXBMFYSA-N 1 0 386.315 2.521 20 0 GFADRO CN(CCC[NH2+]Cc1cc2cc(Br)ccc2o1)S(C)(=O)=O ZINC000657307501 565095383 /nfs/dbraw/zinc/09/53/83/565095383.db2.gz DWLGMKABGPGQKK-UHFFFAOYSA-N 1 0 375.288 2.566 20 0 GFADRO Cc1c(Br)cncc1C[NH2+]C[C@@H](O)COc1ccc(F)c(F)c1 ZINC000657349842 565097888 /nfs/dbraw/zinc/09/78/88/565097888.db2.gz OGQUEYSMEQEKNC-GFCCVEGCSA-N 1 0 387.224 2.960 20 0 GFADRO O=C(NCC[NH2+][C@@H]1CCC[C@H]([C@@H]2CCOC2)C1)c1ccc(Br)cn1 ZINC000657564699 565109235 /nfs/dbraw/zinc/10/92/35/565109235.db2.gz VSSCPVVQGWLJHI-SQWLQELKSA-N 1 0 396.329 2.759 20 0 GFADRO O=C(Nc1cccc(Br)c1F)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000657571218 565110115 /nfs/dbraw/zinc/11/01/15/565110115.db2.gz WURBTGGNUIMGIA-LBPRGKRZSA-N 1 0 398.276 2.614 20 0 GFADRO CO[C@@H]1CCC[C@H]([C@H](CO)[NH2+]Cc2cn3ccc(Br)cc3n2)C1 ZINC000657577895 565110244 /nfs/dbraw/zinc/11/02/44/565110244.db2.gz RWWPWFCZZGTCEC-MAZHCROVSA-N 1 0 382.302 2.753 20 0 GFADRO C[NH+](C)C[C@H](NC(=O)C(=O)NCc1ccco1)c1ccc(Cl)c(Cl)c1 ZINC000636440656 565111628 /nfs/dbraw/zinc/11/16/28/565111628.db2.gz AIQUWKRGJKPQPB-HNNXBMFYSA-N 1 0 384.263 2.622 20 0 GFADRO COc1ccc(C(=O)N2CCC[C@H]([NH+]3CCOCC3)CC2)cc1Br ZINC000614440809 565113768 /nfs/dbraw/zinc/11/37/68/565113768.db2.gz QSZGWUIAYJHGNS-HNNXBMFYSA-N 1 0 397.313 2.785 20 0 GFADRO Cc1cc(C(C)(C)C(=O)NC[C@@H]2C[N@@H+]3CCN2CCC3)ccc1Br ZINC000614506068 565116486 /nfs/dbraw/zinc/11/64/86/565116486.db2.gz VEKBIIOHLZGPGZ-MRXNPFEDSA-N 1 0 394.357 2.541 20 0 GFADRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)Nc1cccc(Br)c1F ZINC000657651524 565116687 /nfs/dbraw/zinc/11/66/87/565116687.db2.gz GCJOTHOWSZFVIF-LLVKDONJSA-N 1 0 386.265 2.517 20 0 GFADRO O=C(NC[C@@H]1C[N@@H+]2CCN1CCC2)c1cc(Br)cc2ccccc21 ZINC000614506827 565116757 /nfs/dbraw/zinc/11/67/57/565116757.db2.gz JERPYZZCEFORGK-MRXNPFEDSA-N 1 0 388.309 2.722 20 0 GFADRO O=C(NC[C@@H]1C[N@@H+]2CCN1CCC2)c1sc2ccccc2c1Br ZINC000614505532 565117010 /nfs/dbraw/zinc/11/70/10/565117010.db2.gz QDTLKMRINAWPJC-GFCCVEGCSA-N 1 0 394.338 2.784 20 0 GFADRO Cc1noc(CCNC(=O)N[C@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)n1 ZINC000636698325 565120575 /nfs/dbraw/zinc/12/05/75/565120575.db2.gz UKADYWUJYHSZCH-CQSZACIVSA-N 1 0 386.283 2.829 20 0 GFADRO CCN1CCN(C(=O)c2c(O)cnc3c(Br)cccc32)C[C@@H]1C ZINC000685797687 565123588 /nfs/dbraw/zinc/12/35/88/565123588.db2.gz KXMWSDNIJIQQOS-NSHDSACASA-N 1 0 378.270 2.869 20 0 GFADRO CCN(C(=O)c1ccnc(OCC[NH+](C)C)c1)c1ccc(Br)cn1 ZINC000636767144 565124331 /nfs/dbraw/zinc/12/43/31/565124331.db2.gz QYEQFQCOVQTWPC-UHFFFAOYSA-N 1 0 393.285 2.846 20 0 GFADRO C[C@H](NC(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1)[C@@H](O)C(F)(F)F ZINC000636839667 565127081 /nfs/dbraw/zinc/12/70/81/565127081.db2.gz DTGFKIDRLJQRSH-AUZPSNTRSA-N 1 0 379.448 2.742 20 0 GFADRO C[NH+](C)[C@@]1(CNC(=O)N[C@H](CCO)c2ccc(Cl)c(F)c2)CCSC1 ZINC000636905988 565130203 /nfs/dbraw/zinc/13/02/03/565130203.db2.gz ONZWOQAUKOZBRB-NVXWUHKLSA-N 1 0 389.924 2.639 20 0 GFADRO CN1CCN(Cc2ccccc2)[C@@H](C[NH2+]Cc2cncc(Br)c2)C1 ZINC000657801244 565130825 /nfs/dbraw/zinc/13/08/25/565130825.db2.gz PTFQDSLVGFDTMP-IBGZPJMESA-N 1 0 389.341 2.750 20 0 GFADRO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(c2noc3ccc(Br)cc32)CC1 ZINC000685912062 565131828 /nfs/dbraw/zinc/13/18/28/565131828.db2.gz RUKASXDMBMMOQB-AWEZNQCLSA-N 1 0 393.285 2.509 20 0 GFADRO COC[C@@H](CC1CCOCC1)[NH2+]CCS(=O)(=O)c1ccc(Cl)cc1 ZINC000657854774 565133944 /nfs/dbraw/zinc/13/39/44/565133944.db2.gz APUXFGWDWAAYIR-MRXNPFEDSA-N 1 0 375.918 2.535 20 0 GFADRO COC[C@H](CNC(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1)OC ZINC000637033786 565134810 /nfs/dbraw/zinc/13/48/10/565134810.db2.gz APIXHQVELMCGOA-WFASDCNBSA-N 1 0 378.300 2.557 20 0 GFADRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1cc(Br)cc2[nH]c(=O)[nH]c21 ZINC000614835718 565134901 /nfs/dbraw/zinc/13/49/01/565134901.db2.gz PREQNFGYATUSDA-QMTHXVAHSA-N 1 0 393.285 2.730 20 0 GFADRO CCCC[N@@H+]1CCCC[C@H]1CNS(=O)(=O)c1c(F)cc(OC)cc1F ZINC000588680813 565137377 /nfs/dbraw/zinc/13/73/77/565137377.db2.gz DVXKQAOENRYDEO-ZDUSSCGKSA-N 1 0 376.469 2.906 20 0 GFADRO CC[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000657932287 565138372 /nfs/dbraw/zinc/13/83/72/565138372.db2.gz LAPRXBDZRGPPMP-HOCLYGCPSA-N 1 0 378.460 2.898 20 0 GFADRO C[C@@H](NC(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1)c1ncnn1C ZINC000637080864 565138507 /nfs/dbraw/zinc/13/85/07/565138507.db2.gz SASLPKIZSFEILJ-YGRLFVJLSA-N 1 0 385.299 2.785 20 0 GFADRO COc1cc(Cl)ccc1S(=O)(=O)N1C[C@H](SC)[C@@H]([NH+]2CCCC2)C1 ZINC000614987199 565141506 /nfs/dbraw/zinc/14/15/06/565141506.db2.gz HFHQBALFSPUPTP-ZFWWWQNUSA-N 1 0 390.958 2.549 20 0 GFADRO COCC[N@H+](C)CCNC(=O)[C@@H](Oc1ccccc1Br)C(C)C ZINC000588932881 565145644 /nfs/dbraw/zinc/14/56/44/565145644.db2.gz RQHZJRPISQRHBN-INIZCTEOSA-N 1 0 387.318 2.547 20 0 GFADRO O=C(NCC[NH2+]C1CCC(C(F)F)CC1)c1ccc(Br)cn1 ZINC000658091799 565149002 /nfs/dbraw/zinc/14/90/02/565149002.db2.gz IDYKTSOFCPLUCU-UHFFFAOYSA-N 1 0 376.245 2.987 20 0 GFADRO O=C(NCC[NH2+]C1CC1)N(Cc1cccc(Br)c1)C1CCOCC1 ZINC000637318138 565150087 /nfs/dbraw/zinc/15/00/87/565150087.db2.gz TVLMDWGSAJGKRU-UHFFFAOYSA-N 1 0 396.329 2.892 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2cccc(Br)c2)C1 ZINC000658118480 565150510 /nfs/dbraw/zinc/15/05/10/565150510.db2.gz CXAWLIISWJUAEE-GFCCVEGCSA-N 1 0 382.302 2.624 20 0 GFADRO C[N@@H+]1C[C@@H]2CCN(C(=O)c3c(F)c(F)c(Br)c(F)c3F)[C@@H]2C1 ZINC000615187888 565150863 /nfs/dbraw/zinc/15/08/63/565150863.db2.gz RIERKCHGCXIDEJ-NKWVEPMBSA-N 1 0 381.167 2.782 20 0 GFADRO Cc1c(Br)cccc1NC(=O)C(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C ZINC000658125266 565151727 /nfs/dbraw/zinc/15/17/27/565151727.db2.gz WVAXLEXFPOPCLL-GFCCVEGCSA-N 1 0 382.302 2.685 20 0 GFADRO CC(C)[C@H](Cc1ccc(Br)cc1)[NH2+]C[C@]1(OCCO)CCOC1 ZINC000658146412 565153510 /nfs/dbraw/zinc/15/35/10/565153510.db2.gz UXPOECJDBWMEQK-ZWKOTPCHSA-N 1 0 386.330 2.774 20 0 GFADRO COc1cc(C)c(Br)cc1C(=O)N1CCOC[C@@H]1[C@H]1CCC[N@@H+]1C ZINC000615264185 565154415 /nfs/dbraw/zinc/15/44/15/565154415.db2.gz COSXFAXCEIOBOR-HZPDHXFCSA-N 1 0 397.313 2.701 20 0 GFADRO C[N@@H+]1CCC[C@@H]1[C@H]1COCCN1C(=O)CCc1cccc(F)c1Br ZINC000615268207 565154928 /nfs/dbraw/zinc/15/49/28/565154928.db2.gz URZODHWGZGIWCK-HZPDHXFCSA-N 1 0 399.304 2.842 20 0 GFADRO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)c1c(O)cnc2c(Br)cccc21 ZINC000615302414 565156162 /nfs/dbraw/zinc/15/61/62/565156162.db2.gz MGROWSKUXSMZRQ-ZWNOBZJWSA-N 1 0 378.270 2.868 20 0 GFADRO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)c1cc(Br)cnc1OCC1CC1 ZINC000615303133 565156180 /nfs/dbraw/zinc/15/61/80/565156180.db2.gz QLZSKZGNISOPIJ-IAQYHMDHSA-N 1 0 382.302 2.798 20 0 GFADRO CC[C@H](C)[N@H+](C)CCNC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000589220116 565156341 /nfs/dbraw/zinc/15/63/41/565156341.db2.gz KJYYXOPGIRUVOV-ZDUSSCGKSA-N 1 0 388.343 2.950 20 0 GFADRO Cc1cccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)c1Br ZINC000658263478 565157376 /nfs/dbraw/zinc/15/73/76/565157376.db2.gz KBLWJXZHQFNRRR-GFCCVEGCSA-N 1 0 382.302 2.685 20 0 GFADRO CCS(=O)(=O)C1(C[NH2+][C@H](C)CC(=O)N(C)Cc2cccc(Cl)c2)CC1 ZINC000658301468 565159335 /nfs/dbraw/zinc/15/93/35/565159335.db2.gz XVKAHGHAIZJRKV-CQSZACIVSA-N 1 0 386.945 2.634 20 0 GFADRO CCN(C(=O)C(=O)Nc1cc(Cl)ccc1C(F)(F)F)[C@H]1CC[N@H+](C)C1 ZINC000658360347 565160881 /nfs/dbraw/zinc/16/08/81/565160881.db2.gz GXPXGNDJFLULEL-NSHDSACASA-N 1 0 377.794 2.850 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCCCN1S(=O)(=O)c1cc(Cl)cc(Br)c1 ZINC000658362940 565161168 /nfs/dbraw/zinc/16/11/68/565161168.db2.gz IQVCDXDDUYOSNG-TVQRCGJNSA-N 1 0 381.723 2.993 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CCCCN1S(=O)(=O)Cc1cc(F)ccc1Br ZINC000658364140 565161798 /nfs/dbraw/zinc/16/17/98/565161798.db2.gz APWHGWAHBUICNQ-YGRLFVJLSA-N 1 0 379.295 2.620 20 0 GFADRO COC(C)(C)c1nc(C)c(C(=O)N2C[C@H](SC)[C@@H]([NH+]3CCCC3)C2)s1 ZINC000589487351 565164947 /nfs/dbraw/zinc/16/49/47/565164947.db2.gz XGTDNXTXVZPUKV-KBPBESRZSA-N 1 0 383.583 2.985 20 0 GFADRO C[C@@H]1C[C@H](C)N(S(=O)(=O)Cc2cc(F)ccc2Br)C[C@@H]1C[NH3+] ZINC000658382760 565165785 /nfs/dbraw/zinc/16/57/85/565165785.db2.gz GVSGEIHXGGPBQV-MDZLAQPJSA-N 1 0 393.322 2.723 20 0 GFADRO O=S(=O)(c1sccc1Br)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000658384937 565165826 /nfs/dbraw/zinc/16/58/26/565165826.db2.gz PBDFIEFYPVFYGM-GFCCVEGCSA-N 1 0 393.372 2.911 20 0 GFADRO [NH3+]C[C@]12CCC[C@H]1CN(S(=O)(=O)c1cc(Cl)ccc1OC(F)(F)F)C2 ZINC000658383459 565166049 /nfs/dbraw/zinc/16/60/49/565166049.db2.gz HXMKNHWFQNFYGC-HZMBPMFUSA-N 1 0 398.834 2.988 20 0 GFADRO C[C@@H]1CCCN(S(=O)(=O)c2cc3c(cc2Cl)OCCO3)[C@@H]1CCC[NH3+] ZINC000658397579 565167102 /nfs/dbraw/zinc/16/71/02/565167102.db2.gz IWTFUCJFFGVXCA-TZMCWYRMSA-N 1 0 388.917 2.639 20 0 GFADRO C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1cc(Br)cc3c1OCCO3)C2 ZINC000615602241 565167466 /nfs/dbraw/zinc/16/74/66/565167466.db2.gz ITKMHJMBRSFLHD-SFHVURJKSA-N 1 0 395.297 2.778 20 0 GFADRO C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1cc(Br)cc3nc[nH]c31)C2 ZINC000615604168 565167682 /nfs/dbraw/zinc/16/76/82/565167682.db2.gz QSLCZWQDXDLLIH-KRWDZBQOSA-N 1 0 377.286 2.883 20 0 GFADRO C[NH2+]C[C@H](C)NS(=O)(=O)c1cc(Cl)c(Cl)cc1Br ZINC000658411452 565168472 /nfs/dbraw/zinc/16/84/72/565168472.db2.gz YOHZYDYPDWKCKS-LURJTMIESA-N 1 0 376.103 2.642 20 0 GFADRO C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1cc(Br)c3c(c1)OCCO3)C2 ZINC000615618206 565168555 /nfs/dbraw/zinc/16/85/55/565168555.db2.gz FVAJOIYQUWKSPA-SFHVURJKSA-N 1 0 395.297 2.778 20 0 GFADRO Cn1nc(C[NH2+]CCNC(=O)c2ccc(Br)cc2)c2ccccc21 ZINC000589642815 565169416 /nfs/dbraw/zinc/16/94/16/565169416.db2.gz JNCFMJJBQQNUJV-UHFFFAOYSA-N 1 0 387.281 2.855 20 0 GFADRO CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N(C)Cc2c(Cl)cccc2Cl)C1 ZINC000658459965 565171116 /nfs/dbraw/zinc/17/11/16/565171116.db2.gz GOXFHFAUXIMJEX-CYBMUJFWSA-N 1 0 386.323 2.941 20 0 GFADRO CC[C@H]([NH2+]CCC1CS(=O)(=O)C1)c1ccc(I)cc1 ZINC000615761571 565172369 /nfs/dbraw/zinc/17/23/69/565172369.db2.gz IPXQQPWVTPXFEH-AWEZNQCLSA-N 1 0 393.290 2.767 20 0 GFADRO [NH3+]Cc1ncc(C(=O)N(Cc2cc(Br)ccc2F)C2CC2)cn1 ZINC000637916807 565176933 /nfs/dbraw/zinc/17/69/33/565176933.db2.gz VEIJDWFAGBVIOM-UHFFFAOYSA-N 1 0 379.233 2.642 20 0 GFADRO [NH3+]Cc1ncc(C(=O)NCC2(c3cccc(Br)c3)CCC2)cn1 ZINC000637944753 565177559 /nfs/dbraw/zinc/17/75/59/565177559.db2.gz MWRAVHJSKOSUKL-UHFFFAOYSA-N 1 0 375.270 2.550 20 0 GFADRO O=C(Nc1ccc(Br)cn1)C1CC[NH+](Cc2ccc(=O)[nH]c2)CC1 ZINC000637942124 565177640 /nfs/dbraw/zinc/17/76/40/565177640.db2.gz LLQNTXVHQGXTFB-UHFFFAOYSA-N 1 0 391.269 2.795 20 0 GFADRO O=C(NCCc1ccc(Cl)s1)c1nnn(C2CC[NH2+]CC2)c1C(F)F ZINC000637938486 565177810 /nfs/dbraw/zinc/17/78/10/565177810.db2.gz YOYNVYCOQAFAHS-UHFFFAOYSA-N 1 0 389.859 2.828 20 0 GFADRO O=C(CCC1C[NH2+]C1)N1CCC(C(=O)Nc2cccc(Br)c2)CC1 ZINC000637969498 565179182 /nfs/dbraw/zinc/17/91/82/565179182.db2.gz KPTPLCZEHVQCJX-UHFFFAOYSA-N 1 0 394.313 2.626 20 0 GFADRO [NH3+]C[C@]1(C(=O)NCc2cc(Cl)cc(Cl)c2OC(F)F)CCCOC1 ZINC000638028562 565181550 /nfs/dbraw/zinc/18/15/50/565181550.db2.gz HACWTIJPRQVYJP-OAHLLOKOSA-N 1 0 383.222 2.967 20 0 GFADRO NS(=O)(=O)c1ccc(CN2CCC[C@H](c3nc4c(s3)CCCC4)C2)o1 ZINC000638148816 565185872 /nfs/dbraw/zinc/18/58/72/565185872.db2.gz CSCGGNCODOKWQH-LBPRGKRZSA-N 1 0 381.523 2.642 20 0 GFADRO O=C(c1cc(Br)c2nccn2c1)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000638144186 565185976 /nfs/dbraw/zinc/18/59/76/565185976.db2.gz LTAOSZMCNONCIT-WFASDCNBSA-N 1 0 377.286 2.701 20 0 GFADRO COC(=O)C[C@@H](NC(=O)C[N@@H+]1CC[C@H](C)C1)c1cccc(Br)c1 ZINC000590429061 565188358 /nfs/dbraw/zinc/18/83/58/565188358.db2.gz MAWKXTFCOYPTBP-SWLSCSKDSA-N 1 0 383.286 2.511 20 0 GFADRO CCN(C(=O)C(=O)N(C)Cc1c(Cl)cccc1Cl)[C@@H]1CC[N@H+](CC)C1 ZINC000658828227 565189621 /nfs/dbraw/zinc/18/96/21/565189621.db2.gz BRGQHWBLOOIDNY-CYBMUJFWSA-N 1 0 386.323 2.895 20 0 GFADRO O=C(c1cc(Br)cc2nc[nH]c21)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000638260827 565190076 /nfs/dbraw/zinc/19/00/76/565190076.db2.gz BAUYFZHEAYFKKV-NWDGAFQWSA-N 1 0 377.286 2.787 20 0 GFADRO Brc1cnc2c(C[NH2+]Cc3ccc4c(c3)OCCO4)cnn2c1 ZINC000638296573 565191512 /nfs/dbraw/zinc/19/15/12/565191512.db2.gz TZYRHRCRTPTCJY-UHFFFAOYSA-N 1 0 375.226 2.553 20 0 GFADRO C[C@@H](COc1ccccc1C(F)(F)F)[NH2+]Cc1ccc(S(N)(=O)=O)s1 ZINC000638412320 565194873 /nfs/dbraw/zinc/19/48/73/565194873.db2.gz XNPDHBZUXBHGFT-JTQLQIEISA-N 1 0 394.440 2.971 20 0 GFADRO Cn1cc(I)c(C[NH2+]C[C@@H]2CCOc3ccccc32)n1 ZINC000590661320 565195375 /nfs/dbraw/zinc/19/53/75/565195375.db2.gz KDJNKBIWRJDHGQ-NSHDSACASA-N 1 0 383.233 2.681 20 0 GFADRO COc1cc(NC(=O)N2CCCO[C@H](C[NH3+])C2)c(Cl)cc1Br ZINC000659048431 565199344 /nfs/dbraw/zinc/19/93/44/565199344.db2.gz RQPFVOFVJRXBMC-SECBINFHSA-N 1 0 392.681 2.693 20 0 GFADRO CCOc1c(Cl)cc(NC(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)cc1Cl ZINC000659008977 565199794 /nfs/dbraw/zinc/19/97/94/565199794.db2.gz AZOULKXBUXULTC-UHFFFAOYSA-N 1 0 386.239 2.668 20 0 GFADRO Cc1cc(Br)c(Cl)cc1NC(=O)C(=O)N[C@@H](C[NH3+])CC(C)C ZINC000659076875 565200531 /nfs/dbraw/zinc/20/05/31/565200531.db2.gz HHCSGPHJTVBDHA-SNVBAGLBSA-N 1 0 390.709 2.839 20 0 GFADRO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)Nc1cc(F)c(Br)c(Cl)c1 ZINC000659106195 565201297 /nfs/dbraw/zinc/20/12/97/565201297.db2.gz JIEVLRUFEKFYRN-LLVKDONJSA-N 1 0 394.672 2.670 20 0 GFADRO CCn1cc(Br)cc1C(=O)N1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000638547775 565201722 /nfs/dbraw/zinc/20/17/22/565201722.db2.gz CNPVZTDTVNJDTA-GXSJLCMTSA-N 1 0 382.224 2.870 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)[C@@H]2COc3ccc(Cl)cc3C2)CC[C@@H]1C(F)(F)F ZINC000638554527 565201937 /nfs/dbraw/zinc/20/19/37/565201937.db2.gz XQFCRCPCHXJZST-SCRDCRAPSA-N 1 0 376.806 2.877 20 0 GFADRO [NH3+][C@@H]1CCO[C@@H]1C(=O)N[C@@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC000638595634 565204131 /nfs/dbraw/zinc/20/41/31/565204131.db2.gz JVMYYDUQVRZDCL-XPKDYRNWSA-N 1 0 378.270 2.540 20 0 GFADRO [NH3+]CCCOCCNC(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1 ZINC000638656801 565205334 /nfs/dbraw/zinc/20/53/34/565205334.db2.gz JSIDVOYGWZHJNQ-UHFFFAOYSA-N 1 0 381.885 2.749 20 0 GFADRO C[C@H]1CC[C@@H](NC(=O)C2(c3ccc(Br)cc3)CCOCC2)C[NH2+]1 ZINC000638647714 565205892 /nfs/dbraw/zinc/20/58/92/565205892.db2.gz INARZHYSNZYDPH-XJKSGUPXSA-N 1 0 381.314 2.754 20 0 GFADRO COc1nsc(C[NH2+][C@@H]2CCC[C@H](C(=O)N(C)C)C2)c1Br ZINC000638634446 565206065 /nfs/dbraw/zinc/20/60/65/565206065.db2.gz HAIDVQQSTYNEMI-VHSXEESVSA-N 1 0 376.320 2.651 20 0 GFADRO CN1CCC[C@H](C[NH2+]Cc2ccc(S(N)(=O)=O)cc2)[C@@H]1c1cccs1 ZINC000638670832 565206546 /nfs/dbraw/zinc/20/65/46/565206546.db2.gz LQAZUZRYUIFPGT-CRAIPNDOSA-N 1 0 379.551 2.568 20 0 GFADRO CN(CCOCC[NH3+])C(=O)c1ccc(Oc2ccc(Br)cc2)nc1 ZINC000638676283 565206920 /nfs/dbraw/zinc/20/69/20/565206920.db2.gz RTHZLGLSMLDIAZ-UHFFFAOYSA-N 1 0 394.269 2.684 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2sc3c(c2Br)CNC3)[C@@H](C)C1 ZINC000659260839 565208800 /nfs/dbraw/zinc/20/88/00/565208800.db2.gz QSEGRGBDNJEVLF-JQWIXIFHSA-N 1 0 386.359 2.916 20 0 GFADRO CC(=O)N1CC[C@@]([NH3+])(C(=O)Nc2nc(-c3cccc(Cl)c3)c(C)s2)C1 ZINC000659275916 565210657 /nfs/dbraw/zinc/21/06/57/565210657.db2.gz KDKXGUNMTAFZCU-KRWDZBQOSA-N 1 0 378.885 2.660 20 0 GFADRO CC(C)(C)n1cc(Br)c(C(=O)N2CCOc3ccc(C[NH3+])cc32)n1 ZINC000638807806 565211889 /nfs/dbraw/zinc/21/18/89/565211889.db2.gz OYMMKPFACVULMQ-UHFFFAOYSA-N 1 0 393.285 2.899 20 0 GFADRO CCc1nn(C)c(CC)c1C[NH2+]Cc1cnn2cc(Br)cnc12 ZINC000638792929 565211935 /nfs/dbraw/zinc/21/19/35/565211935.db2.gz UPNUPUIPGTWICJ-UHFFFAOYSA-N 1 0 377.290 2.640 20 0 GFADRO [NH3+]C1(C(=O)NCc2nc(-c3cccc(Br)c3)no2)CC2(CCC2)C1 ZINC000659313683 565211873 /nfs/dbraw/zinc/21/18/73/565211873.db2.gz LQCRTYXNESJDHS-UHFFFAOYSA-N 1 0 391.269 2.777 20 0 GFADRO O=C(c1sc2c(c1Br)CNC2)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000659322072 565212756 /nfs/dbraw/zinc/21/27/56/565212756.db2.gz DNJYYSCHZNKQEE-CYBMUJFWSA-N 1 0 392.322 2.901 20 0 GFADRO CC(=O)N[C@@H](CC(=O)N1CCCCC[C@@H]([NH3+])C1)c1ccc(Br)cc1 ZINC000638836871 565214250 /nfs/dbraw/zinc/21/42/50/565214250.db2.gz VCQBXARZJHQWHF-SJORKVTESA-N 1 0 396.329 2.746 20 0 GFADRO [NH3+]C1(CNC(=O)N[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)CCCC1 ZINC000659479103 565218358 /nfs/dbraw/zinc/21/83/58/565218358.db2.gz FADMVDIYUYDNBR-CQSZACIVSA-N 1 0 385.295 2.669 20 0 GFADRO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000638940555 565218643 /nfs/dbraw/zinc/21/86/43/565218643.db2.gz SHYLTXQJPIVQFO-MRVWCRGKSA-N 1 0 384.307 2.794 20 0 GFADRO CC(C)C[C@@H](C[NH3+])NC(=O)N1CCN(c2ccc(Br)cc2)CC1 ZINC000659521273 565218922 /nfs/dbraw/zinc/21/89/22/565218922.db2.gz DDPOGWBBGAQXCF-HNNXBMFYSA-N 1 0 383.334 2.654 20 0 GFADRO O=C(NC[C@@H]1CCCC[NH2+]1)N1CCOC[C@H]1c1ccc(Br)cc1 ZINC000659509188 565219084 /nfs/dbraw/zinc/21/90/84/565219084.db2.gz XYAQXRDYGPHRPH-HOTGVXAUSA-N 1 0 382.302 2.674 20 0 GFADRO [NH3+]C1(CNC(=O)N[C@@H](CO)c2ccc(Cl)cc2C(F)(F)F)CCCC1 ZINC000659575060 565219765 /nfs/dbraw/zinc/21/97/65/565219765.db2.gz SWWLHPFZVSZNSB-ZDUSSCGKSA-N 1 0 379.810 2.963 20 0 GFADRO [NH3+]CCCCn1cc(C(=O)NCc2ccc(Cl)c(C(F)(F)F)c2)nn1 ZINC000638988218 565219886 /nfs/dbraw/zinc/21/98/86/565219886.db2.gz BBIMTHCSBMNWPA-UHFFFAOYSA-N 1 0 375.782 2.619 20 0 GFADRO O=C(c1ccc2cncc(Br)c2n1)N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000639024410 565220902 /nfs/dbraw/zinc/22/09/02/565220902.db2.gz VPUGKSHQHPPNQS-IAQYHMDHSA-N 1 0 375.270 2.606 20 0 GFADRO C[C@@H]([NH3+])CNC(=O)Nc1cc(Br)ccc1I ZINC000591281913 565220991 /nfs/dbraw/zinc/22/09/91/565220991.db2.gz VEBZUNJVEXEGJZ-ZCFIWIBFSA-N 1 0 398.042 2.522 20 0 GFADRO COC(=O)c1cc(NC(=O)N2CCC(C)([NH3+])CC2)c(Br)cc1F ZINC000591287223 565221196 /nfs/dbraw/zinc/22/11/96/565221196.db2.gz DPROMBIZTXTCCN-UHFFFAOYSA-N 1 0 388.237 2.720 20 0 GFADRO CC(C)[C@H]([NH3+])CCNC(=O)N1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000659623642 565221451 /nfs/dbraw/zinc/22/14/51/565221451.db2.gz HQAVTFCYQAYXIL-HZPDHXFCSA-N 1 0 384.318 2.905 20 0 GFADRO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)Nc1ccc(F)cc1I ZINC000591288440 565221965 /nfs/dbraw/zinc/22/19/65/565221965.db2.gz RHVICLJIRVKWPE-UWVGGRQHSA-N 1 0 395.191 2.594 20 0 GFADRO CO[C@]1(C[NH2+][C@H]2CCN(C)[C@@H](c3ccc(Br)cc3)C2)CCOC1 ZINC000639050297 565222100 /nfs/dbraw/zinc/22/21/00/565222100.db2.gz HLGCBFPZNASKGV-KSZLIROESA-N 1 0 383.330 2.980 20 0 GFADRO COC(=O)c1c(Br)ccc(NC(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)c1C ZINC000591301984 565222520 /nfs/dbraw/zinc/22/25/20/565222520.db2.gz DZPSRXWJONOGLG-FZMZJTMJSA-N 1 0 396.285 2.760 20 0 GFADRO Cc1ccc(I)cc1NC(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000591299821 565222669 /nfs/dbraw/zinc/22/26/69/565222669.db2.gz ZMXWVZWNIBKQSF-RISCZKNCSA-N 1 0 385.249 2.815 20 0 GFADRO CC[C@@H](CO)[N@H+](Cc1ccccc1)Cc1ccc(S(N)(=O)=O)c(Cl)c1 ZINC000639061639 565222951 /nfs/dbraw/zinc/22/29/51/565222951.db2.gz OKTZWHCAJYGVLV-INIZCTEOSA-N 1 0 382.913 2.761 20 0 GFADRO CC[C@H]1CN(C(=O)Nc2ccc(Br)c(C(=O)OC)c2)CC[C@H]1[NH3+] ZINC000591295370 565223070 /nfs/dbraw/zinc/22/30/70/565223070.db2.gz OPNGWGQVLDWLIP-IINYFYTJSA-N 1 0 384.274 2.827 20 0 GFADRO COc1nsc(C[NH2+]C2CCN(c3cc(C)[nH]n3)CC2)c1Br ZINC000639086913 565224349 /nfs/dbraw/zinc/22/43/49/565224349.db2.gz AEXIVQATGMRBBR-UHFFFAOYSA-N 1 0 386.319 2.704 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+][C@@H]2CCN(c3ccc(Cl)cc3Cl)C2)o1 ZINC000639096973 565224375 /nfs/dbraw/zinc/22/43/75/565224375.db2.gz HKIGJEBAPPIGNJ-LLVKDONJSA-N 1 0 390.292 2.602 20 0 GFADRO CO[C@H](C[NH2+]C[C@H](CO)Cc1ccccc1Br)C1CCOCC1 ZINC000639106370 565225862 /nfs/dbraw/zinc/22/58/62/565225862.db2.gz VFGBILMFSUGELD-RDTXWAMCSA-N 1 0 386.330 2.631 20 0 GFADRO NC(=O)CN(Cc1ccc(F)cc1I)C1CCCC1 ZINC000591352752 565226357 /nfs/dbraw/zinc/22/63/57/565226357.db2.gz DVCWNCSDJPCRCN-UHFFFAOYSA-N 1 0 376.213 2.660 20 0 GFADRO COC1CC[NH+](CCNCc2ccc(F)cc2I)CC1 ZINC000591356223 565227063 /nfs/dbraw/zinc/22/70/63/565227063.db2.gz UJTJPCLFTKNWQD-UHFFFAOYSA-N 1 0 392.256 2.631 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+]C[C@@H](OCC2CC2)c2ccc(Cl)cc2)o1 ZINC000639156946 565229905 /nfs/dbraw/zinc/22/99/05/565229905.db2.gz JLUAZMKHZYUIAA-MRXNPFEDSA-N 1 0 384.885 2.838 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+][C@@H]2CCOc3c(Br)cccc32)cc1 ZINC000639159570 565230285 /nfs/dbraw/zinc/23/02/85/565230285.db2.gz ZMJVTOHDBORHTA-OAHLLOKOSA-N 1 0 397.294 2.710 20 0 GFADRO COCCC[C@H](C[NH2+]Cc1ccc(S(N)(=O)=O)o1)c1ccc(Cl)cc1 ZINC000639157861 565230634 /nfs/dbraw/zinc/23/06/34/565230634.db2.gz RPJYTHWAFMUBAR-CQSZACIVSA-N 1 0 386.901 2.880 20 0 GFADRO O=c1c(C[NH2+]CCCS(=O)(=O)c2ccc(Cl)cc2)cccn1C(F)F ZINC000639215417 565233276 /nfs/dbraw/zinc/23/32/76/565233276.db2.gz YABBAZISQDAYAT-UHFFFAOYSA-N 1 0 390.839 2.850 20 0 GFADRO COc1nsc(C[NH2+][C@@H]2CCO[C@@H](c3ccnn3C)C2)c1Br ZINC000639243384 565234961 /nfs/dbraw/zinc/23/49/61/565234961.db2.gz GAZGOGBTEUSSIU-MWLCHTKSSA-N 1 0 387.303 2.658 20 0 GFADRO CCn1cc(C[NH2+][C@@H]2CCN(C)[C@@H](c3ccc(Br)cc3)C2)nn1 ZINC000639308966 565238669 /nfs/dbraw/zinc/23/86/69/565238669.db2.gz IGHAGIMSBXCDTM-NVXWUHKLSA-N 1 0 378.318 2.986 20 0 GFADRO CO[C@H](C[NH+]1CCN(Cc2ccc(Br)cc2)CC1)[C@H]1CCOC1 ZINC000660011908 565238659 /nfs/dbraw/zinc/23/86/59/565238659.db2.gz ZYAINGMFPGAPKD-FUHWJXTLSA-N 1 0 383.330 2.618 20 0 GFADRO CCC[N@@H+]1CC[C@@H](NS(=O)(=O)c2cc(Cl)ccc2O[C@H](C)COC)C1 ZINC000660026379 565240434 /nfs/dbraw/zinc/24/04/34/565240434.db2.gz FYOWGXBIZYWCNI-UKRRQHHQSA-N 1 0 390.933 2.516 20 0 GFADRO COCCc1ccc(OC[C@H](C)[NH2+]Cc2c(Br)cnn2C)cc1 ZINC000639381696 565243567 /nfs/dbraw/zinc/24/35/67/565243567.db2.gz PMIUYGFWEWMAIX-ZDUSSCGKSA-N 1 0 382.302 2.929 20 0 GFADRO O=S(=O)(NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2)c1cscn1 ZINC000660057751 565245651 /nfs/dbraw/zinc/24/56/51/565245651.db2.gz QWMDIVBVWFGKJW-MRXNPFEDSA-N 1 0 377.535 2.724 20 0 GFADRO O[C@H](C[NH2+]C1(c2cccc(Br)c2)CCC1)CC1(O)CCOCC1 ZINC000639526272 565249291 /nfs/dbraw/zinc/24/92/91/565249291.db2.gz CSGHMQAWTJWVQD-INIZCTEOSA-N 1 0 384.314 2.710 20 0 GFADRO CNS(=O)(=O)c1ccc(C[N@H+](CCCO)Cc2cccc(Cl)c2)cc1 ZINC000660106407 565253182 /nfs/dbraw/zinc/25/31/82/565253182.db2.gz DEFWLPWPFPEWHB-UHFFFAOYSA-N 1 0 382.913 2.633 20 0 GFADRO Cn1ccnc1[C@H]1CCN(CC(=O)c2c[nH]c3ncc(Br)cc23)C1 ZINC000660128033 565254737 /nfs/dbraw/zinc/25/47/37/565254737.db2.gz HWXZJDMJRHRIKT-NSHDSACASA-N 1 0 388.269 2.731 20 0 GFADRO COCC[N@@H+]1CCC[C@@H](NC(=O)[C@H](C)Oc2cccc(Cl)c2Cl)C1 ZINC000592098738 565255972 /nfs/dbraw/zinc/25/59/72/565255972.db2.gz ZBKAIQOXVXYRHX-QWHCGFSZSA-N 1 0 375.296 2.988 20 0 GFADRO Cc1nc(-c2cccs2)c(CC(=O)NCCN(C)CCC[NH+](C)C)s1 ZINC000617763322 565256318 /nfs/dbraw/zinc/25/63/18/565256318.db2.gz NCGRDNFNFIDYND-UHFFFAOYSA-N 1 0 380.583 2.722 20 0 GFADRO CN(CCC[NH+](C)C)CCNC(=O)c1[nH]c2ccccc2c1Br ZINC000617767090 565258682 /nfs/dbraw/zinc/25/86/82/565258682.db2.gz GRIMADZBBWLLHX-UHFFFAOYSA-N 1 0 381.318 2.544 20 0 GFADRO COc1cc(C[NH2+][C@@H]([C@@H]2CCCO2)C2(CO)CCC2)c(Br)cn1 ZINC000639768047 565258831 /nfs/dbraw/zinc/25/88/31/565258831.db2.gz RBYCCFOEHRPCII-HOCLYGCPSA-N 1 0 385.302 2.653 20 0 GFADRO CC(C)N1CC[NH+](C2CCN(Cc3ncsc3Br)CC2)CC1 ZINC000660149163 565259680 /nfs/dbraw/zinc/25/96/80/565259680.db2.gz BHXKDXUCWGOBHT-UHFFFAOYSA-N 1 0 387.391 2.896 20 0 GFADRO CNc1cc2c(nn1)CC[N@H+](CCC(=O)Nc1c(Cl)cccc1Cl)C2 ZINC000592119067 565259748 /nfs/dbraw/zinc/25/97/48/565259748.db2.gz XJEFVJLXXTXRHG-UHFFFAOYSA-N 1 0 380.279 3.212 20 0 GFADRO C[NH+](C)CCC[C@H]1CN(S(=O)(=O)c2cccc(Cl)c2Cl)CCO1 ZINC000660155749 565260862 /nfs/dbraw/zinc/26/08/62/565260862.db2.gz COUFGOBHOSVWGP-LBPRGKRZSA-N 1 0 381.325 2.725 20 0 GFADRO CSc1ccccc1S(=O)(=O)N1CC2(CCCC2)OC[C@H]1C[NH+](C)C ZINC000660151546 565260991 /nfs/dbraw/zinc/26/09/91/565260991.db2.gz UEWCSNWADYIHCR-OAHLLOKOSA-N 1 0 384.567 2.672 20 0 GFADRO COC(=O)c1ccc(CN2CCOC3(CC[NH+](C)CC3)C2)c(Br)c1 ZINC000592184264 565261502 /nfs/dbraw/zinc/26/15/02/565261502.db2.gz HWHBWDNTPSECFF-UHFFFAOYSA-N 1 0 397.313 2.532 20 0 GFADRO C[NH+](C)CCC[C@H]1CN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)CCO1 ZINC000660156843 565262211 /nfs/dbraw/zinc/26/22/11/565262211.db2.gz HYTYSMYAEJMPJF-AWEZNQCLSA-N 1 0 395.352 2.866 20 0 GFADRO COC(=O)[C@@H](CNC(=O)[C@@](C)([NH3+])c1ccc(Br)cc1)CC(C)C ZINC000592174280 565262235 /nfs/dbraw/zinc/26/22/35/565262235.db2.gz LBVFRCIJARTCQW-PXAZEXFGSA-N 1 0 385.302 2.575 20 0 GFADRO Nc1nnc([C@H]2CCC[N@H+](CCC(=O)Nc3c(Cl)cccc3Cl)C2)o1 ZINC000639822521 565263026 /nfs/dbraw/zinc/26/30/26/565263026.db2.gz UTPGTBWOJKPFKI-JTQLQIEISA-N 1 0 384.267 3.167 20 0 GFADRO CCOC(=O)c1ccc(CNC(=O)[C@](C)([NH3+])c2ccc(Br)cc2)o1 ZINC000592212977 565263215 /nfs/dbraw/zinc/26/32/15/565263215.db2.gz OLVVXFIERYLZFK-QGZVFWFLSA-N 1 0 395.253 2.709 20 0 GFADRO Nc1nnc([C@@H]2CCC[N@H+](CCC(=O)Nc3cc(Cl)ccc3Cl)C2)o1 ZINC000639820811 565263661 /nfs/dbraw/zinc/26/36/61/565263661.db2.gz IYXDASCQEZWQCE-SNVBAGLBSA-N 1 0 384.267 3.167 20 0 GFADRO COC(=O)c1cc(NC(=O)N[C@@H]2CCC[N@H+](C)C2)cc(Br)c1F ZINC000617898960 565266540 /nfs/dbraw/zinc/26/65/40/565266540.db2.gz LBWTVUSZJXXVFC-SECBINFHSA-N 1 0 388.237 2.591 20 0 GFADRO CSC1(CNC(=O)C(=O)Nc2ccc(C)c(C)c2Cl)CC[NH+](C)CC1 ZINC000592291297 565266932 /nfs/dbraw/zinc/26/69/32/565266932.db2.gz CKNQIMXGFLKVGW-UHFFFAOYSA-N 1 0 383.945 2.839 20 0 GFADRO C[C@@]12C[NH+](Cc3nc(-c4ccccc4Cl)cs3)C[C@@]1(C)C(=O)NC2=O ZINC000639943770 565268848 /nfs/dbraw/zinc/26/88/48/565268848.db2.gz FDOOUQYRCDJSEW-ROUUACIJSA-N 1 0 375.881 2.948 20 0 GFADRO Cc1cc(C2CC[NH+](CCN3C(=O)CN(C)C3=O)CC2)ccc1Br ZINC000660336844 565271036 /nfs/dbraw/zinc/27/10/36/565271036.db2.gz RMBSZRSQFORNKX-UHFFFAOYSA-N 1 0 394.313 2.831 20 0 GFADRO COc1cc(NC(=O)N2CC[C@H]([NH+]3CCCCC3)C2)ncc1Br ZINC000639968757 565272262 /nfs/dbraw/zinc/27/22/62/565272262.db2.gz YCKNLYBPKIEDGH-LBPRGKRZSA-N 1 0 383.290 2.945 20 0 GFADRO CO[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+][C@@H]1CCC[C@@H]1c1ccccc1C(F)(F)F ZINC000660373366 565272310 /nfs/dbraw/zinc/27/23/10/565272310.db2.gz QJHKIZCHWMRNQL-DMRZNYOFSA-N 1 0 377.428 2.743 20 0 GFADRO C[N@H+](CCc1c[nH]nn1)Cc1cccc(Br)c1OC[C@@H]1CCCO1 ZINC000660381595 565273273 /nfs/dbraw/zinc/27/32/73/565273273.db2.gz WSZPBYFPLBJDEV-HNNXBMFYSA-N 1 0 395.301 2.800 20 0 GFADRO O=C(CCOc1ccc(Cl)c(Cl)c1)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000592403690 565274273 /nfs/dbraw/zinc/27/42/73/565274273.db2.gz FOECJXRVMQCEEC-DLBZAZTESA-N 1 0 387.307 2.820 20 0 GFADRO COC[C@H](C[NH2+][C@@H](CO)c1ccc(Br)cc1C(F)(F)F)OC ZINC000660460812 565276508 /nfs/dbraw/zinc/27/65/08/565276508.db2.gz ILVBHCCQFVLVQE-GWCFXTLKSA-N 1 0 386.208 2.752 20 0 GFADRO O[C@@H](COc1ccc(Cl)cc1Br)C[N@@H+]1C[C@@H]2C[C@H]1C[C@@H](O)C2 ZINC000640075623 565277421 /nfs/dbraw/zinc/27/74/21/565277421.db2.gz BPHBFWRWSNFBDQ-VZZFWQQMSA-N 1 0 390.705 2.687 20 0 GFADRO C[C@H](CCc1ccc(I)cc1)CC(=O)N1CC[C@H]([NH3+])C1 ZINC000592468791 565278982 /nfs/dbraw/zinc/27/89/82/565278982.db2.gz IXMYKPGZLAFLKR-DOMZBBRYSA-N 1 0 386.277 2.810 20 0 GFADRO CN(CC1C[NH+](C)C1)C(=O)c1cc(Br)ccc1Br ZINC000618190750 565279357 /nfs/dbraw/zinc/27/93/57/565279357.db2.gz DXYUQCPOLZKKPK-UHFFFAOYSA-N 1 0 376.092 2.845 20 0 GFADRO Cc1cc(C[NH2+]C[C@@H]2CNc3ccnn3C2)ccc1I ZINC000592510030 565279881 /nfs/dbraw/zinc/27/98/81/565279881.db2.gz MQCNDLZBZSLEIG-CYBMUJFWSA-N 1 0 382.249 2.628 20 0 GFADRO [NH3+]C[C@@H]1CCCn2ncc(C(=O)N3CCc4c(Br)cccc4C3)c21 ZINC000592518515 565280142 /nfs/dbraw/zinc/28/01/42/565280142.db2.gz WRELKZSKYYEXPT-LBPRGKRZSA-N 1 0 389.297 2.680 20 0 GFADRO COc1ccc(NC(=O)c2cnn3c2[C@H](C[NH3+])CCC3)cc1Br ZINC000592520791 565280798 /nfs/dbraw/zinc/28/07/98/565280798.db2.gz SIFQBBNCDFZXLO-JTQLQIEISA-N 1 0 379.258 2.743 20 0 GFADRO CC(C)CNC(=O)CCC[NH2+][C@@H](CO)c1ccc(Br)c(F)c1 ZINC000660616776 565285644 /nfs/dbraw/zinc/28/56/44/565285644.db2.gz PVPALHUKKYVRKG-HNNXBMFYSA-N 1 0 375.282 2.764 20 0 GFADRO CC(C)C[NH2+]C1(CO)CCN(Cc2cc3c(cc2Br)OCO3)CC1 ZINC000660692181 565289558 /nfs/dbraw/zinc/28/95/58/565289558.db2.gz JKIFPWUMXVZJAI-UHFFFAOYSA-N 1 0 399.329 2.750 20 0 GFADRO CC[N@@H+]1CCCN(CC(=O)N(C)Cc2cc(Br)cs2)[C@H](C)C1 ZINC000660790173 565294218 /nfs/dbraw/zinc/29/42/18/565294218.db2.gz FERHYTSJBMXNCY-CYBMUJFWSA-N 1 0 388.375 2.885 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2nn(CC(F)(F)F)cc2Cl)C[C@H]1C ZINC000640294441 565294894 /nfs/dbraw/zinc/29/48/94/565294894.db2.gz CNZBSTSJEUHXBF-GHMZBOCLSA-N 1 0 381.830 3.435 20 0 GFADRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)Nc1nn(CC(F)(F)F)cc1Cl ZINC000640302633 565296764 /nfs/dbraw/zinc/29/67/64/565296764.db2.gz SXMJVVSDMNULQE-QWRGUYRKSA-N 1 0 379.814 3.189 20 0 GFADRO CCCN(C(=O)c1cccc(F)c1I)[C@H]1CC[N@H+](C)C1 ZINC000592828285 565300009 /nfs/dbraw/zinc/30/00/09/565300009.db2.gz FOYBEFVSYCCJNR-NSHDSACASA-N 1 0 390.240 2.987 20 0 GFADRO OC[C@H]([NH2+]Cc1cc(Cl)ccc1I)[C@@H]1CCCOC1 ZINC000593035126 565308283 /nfs/dbraw/zinc/30/82/83/565308283.db2.gz YHXBIWJZPOHVSH-YGRLFVJLSA-N 1 0 395.668 2.822 20 0 GFADRO OC[C@@H]([NH2+]Cc1cc(Cl)ccc1I)[C@H]1CCCOC1 ZINC000593035124 565308899 /nfs/dbraw/zinc/30/88/99/565308899.db2.gz YHXBIWJZPOHVSH-IINYFYTJSA-N 1 0 395.668 2.822 20 0 GFADRO OC[C@@H]([NH2+]Cc1nnnn1-c1ccc(Cl)cc1C(F)(F)F)C1CCC1 ZINC000661153495 565310123 /nfs/dbraw/zinc/31/01/23/565310123.db2.gz IEECSAMGGAHPFK-GFCCVEGCSA-N 1 0 375.782 2.585 20 0 GFADRO CC(C)Oc1cc(NC(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)ccc1Br ZINC000640443544 565310899 /nfs/dbraw/zinc/31/08/99/565310899.db2.gz WLQFGNJWWNMAQI-UONOGXRCSA-N 1 0 398.301 2.519 20 0 GFADRO Cc1cc(NC(=O)Cn2cc(C[C@H]3CCC[NH2+]C3)nn2)ccc1Br ZINC000640759037 565324360 /nfs/dbraw/zinc/32/43/60/565324360.db2.gz BWOKHHMOKIDAJG-CYBMUJFWSA-N 1 0 392.301 2.530 20 0 GFADRO C[C@@]12COC[C@]1(C)C[N@@H+](C[C@H](O)COc1cc(F)cc(Br)c1)C2 ZINC000661490964 565326085 /nfs/dbraw/zinc/32/60/85/565326085.db2.gz MCARTYMCXJPBOD-BHYGNILZSA-N 1 0 388.277 2.686 20 0 GFADRO CN(Cc1ccccc1Br)C(=O)C[N@H+]1C[C@]2(C)COC[C@]2(C)C1 ZINC000661499321 565326182 /nfs/dbraw/zinc/32/61/82/565326182.db2.gz AZRGYFNTDPUAGO-HDICACEKSA-N 1 0 381.314 2.766 20 0 GFADRO C[C@@H](C(=O)Nc1cccc(Cl)c1Cl)n1cc(CN(C)CCC[NH3+])nn1 ZINC000640781604 565326300 /nfs/dbraw/zinc/32/63/00/565326300.db2.gz NMFLUHYLBOHTNY-NSHDSACASA-N 1 0 385.299 2.565 20 0 GFADRO C[C@@H]1CN(CC[NH+]2CCN(c3ccc(Br)cc3)CC2)C[C@H](C)O1 ZINC000661576909 565329263 /nfs/dbraw/zinc/32/92/63/565329263.db2.gz REWIEOCTAOJYTR-IYBDPMFKSA-N 1 0 382.346 2.680 20 0 GFADRO Clc1ccc(Cl)c(SCCn2cc(CCN3CC[NH2+]CC3)nn2)c1 ZINC000640839310 565329572 /nfs/dbraw/zinc/32/95/72/565329572.db2.gz RZKJHWBRTLNBLE-UHFFFAOYSA-N 1 0 386.352 2.825 20 0 GFADRO Cc1ccc(NC(=O)[C@@H](C)n2cc(C[C@@H]3CC[NH2+]C3)nn2)c(Br)c1 ZINC000640886291 565334941 /nfs/dbraw/zinc/33/49/41/565334941.db2.gz HXQKJALOHAFYNZ-OLZOCXBDSA-N 1 0 392.301 2.701 20 0 GFADRO CC(C)Cc1noc(Cn2cc([C@H]([NH3+])c3ccc(Br)cc3)nn2)n1 ZINC000640916763 565337432 /nfs/dbraw/zinc/33/74/32/565337432.db2.gz CLZRMYZBICXHDN-MRXNPFEDSA-N 1 0 391.273 2.719 20 0 GFADRO CC(C)(C)c1nc(Cn2cc([C@@H]([NH3+])c3ccc(Br)cc3)nn2)no1 ZINC000640933421 565337608 /nfs/dbraw/zinc/33/76/08/565337608.db2.gz NJHYUUDQBHALOH-AWEZNQCLSA-N 1 0 391.273 2.818 20 0 GFADRO CC[C@@](C)([NH3+])c1cn(Cc2nc(-c3cc(Br)cs3)no2)nn1 ZINC000640993540 565340701 /nfs/dbraw/zinc/34/07/01/565340701.db2.gz AIKOPQAYDLJRPT-CYBMUJFWSA-N 1 0 383.275 2.784 20 0 GFADRO O=C(N[C@H]1CCC[NH2+]CC1)N1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000641052752 565343099 /nfs/dbraw/zinc/34/30/99/565343099.db2.gz OMMQBYMQALQINT-HOTGVXAUSA-N 1 0 382.302 2.674 20 0 GFADRO COCc1nc(Cn2cc([C@@H]([NH3+])c3ccc(Br)cc3)nn2)cs1 ZINC000641093133 565344493 /nfs/dbraw/zinc/34/44/93/565344493.db2.gz DWYXXMGFUARIDG-HNNXBMFYSA-N 1 0 394.298 2.740 20 0 GFADRO [NH3+]CCc1cn(Cc2cccc(OCC(F)(F)F)c2Br)nn1 ZINC000641115308 565347520 /nfs/dbraw/zinc/34/75/20/565347520.db2.gz AYQUUCXNXCHENH-UHFFFAOYSA-N 1 0 379.180 2.531 20 0 GFADRO CN(CCC[NH3+])Cc1cn([C@H]2CCCc3ccc(Br)cc32)nn1 ZINC000641122426 565348701 /nfs/dbraw/zinc/34/87/01/565348701.db2.gz GIKWRSAEPCXAPB-KRWDZBQOSA-N 1 0 378.318 2.747 20 0 GFADRO O[C@@H]1CC[N@@H+](C2CCN(Cc3c(F)ccc(Br)c3F)CC2)C1 ZINC000662152056 565351201 /nfs/dbraw/zinc/35/12/01/565351201.db2.gz NDZXPNVHWYXNES-GFCCVEGCSA-N 1 0 375.257 2.758 20 0 GFADRO O[C@@H](COc1ccc(Cl)cc1Cl)Cn1cc(C[C@H]2CCC[NH2+]C2)nn1 ZINC000641196803 565353364 /nfs/dbraw/zinc/35/33/64/565353364.db2.gz SMWHLXFISMPJOU-IUODEOHRSA-N 1 0 385.295 2.567 20 0 GFADRO COC(=O)c1nn(-c2ccc(Cl)c(Cl)c2)cc1C[NH2+][C@H](CO)CCF ZINC000593689614 565355770 /nfs/dbraw/zinc/35/57/70/565355770.db2.gz ODDRAFIGUOTDFY-NSHDSACASA-N 1 0 390.242 2.776 20 0 GFADRO CC[NH+](CC)[C@@H](CNS(=O)(=O)Cc1cc(OC)ns1)c1ccccc1 ZINC000641259305 565356911 /nfs/dbraw/zinc/35/69/11/565356911.db2.gz PHZSURJIHBIWKE-INIZCTEOSA-N 1 0 383.539 2.654 20 0 GFADRO COc1ncc(Br)cc1CN1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1 ZINC000662281255 565357777 /nfs/dbraw/zinc/35/77/77/565357777.db2.gz LBPPZTNGWDYDEH-GOEBONIOSA-N 1 0 380.261 2.919 20 0 GFADRO CN(CCS(=O)(=O)c1cc(Cl)ccc1Cl)[C@@H](C[NH3+])C(F)(F)F ZINC000662329754 565360288 /nfs/dbraw/zinc/36/02/88/565360288.db2.gz MPCVLDPLWGPPPJ-NSHDSACASA-N 1 0 379.231 2.589 20 0 GFADRO C[NH+](C)CCC[C@@H]1CN(C[C@H](O)COc2ccc(Cl)cc2Cl)CCO1 ZINC000662320811 565360331 /nfs/dbraw/zinc/36/03/31/565360331.db2.gz WPYKNWULKNWQRH-JKSUJKDBSA-N 1 0 391.339 2.776 20 0 GFADRO C[C@H](C(=O)Nc1cccc(Br)c1)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662321455 565361043 /nfs/dbraw/zinc/36/10/43/565361043.db2.gz IPJCUTLUEQTACS-PBHICJAKSA-N 1 0 398.345 2.819 20 0 GFADRO O=C(N[C@H]1CCc2[nH]cnc2C1)N1CCc2sc(Br)cc2C1 ZINC000641303422 565361219 /nfs/dbraw/zinc/36/12/19/565361219.db2.gz BRKLNCHGNWSUKB-JTQLQIEISA-N 1 0 381.299 2.859 20 0 GFADRO N[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1Br ZINC000662341498 565361989 /nfs/dbraw/zinc/36/19/89/565361989.db2.gz QMHLJBYGWKXWFA-QAPCUYQASA-N 1 0 388.309 2.840 20 0 GFADRO CCC[N@@H+]1CC[C@H](NC(=O)c2cc(=O)[nH]c3c(Br)cccc23)C1 ZINC000619901037 565362270 /nfs/dbraw/zinc/36/22/70/565362270.db2.gz KNKWFDOAQMWDOL-NSHDSACASA-N 1 0 378.270 2.917 20 0 GFADRO CCC[N@@H+]1CC[C@@H](NC(=O)CNC(=O)c2sc3ccccc3c2Cl)C1 ZINC000619894320 565362805 /nfs/dbraw/zinc/36/28/05/565362805.db2.gz WQVNQROYEJJAET-GFCCVEGCSA-N 1 0 379.913 2.885 20 0 GFADRO O=C(N[C@@H]1CCSc2ccc(Cl)cc21)c1cnnn1C1CC[NH2+]CC1 ZINC000662356830 565363451 /nfs/dbraw/zinc/36/34/51/565363451.db2.gz WFZPZBBCIZLHEO-CQSZACIVSA-N 1 0 377.901 2.823 20 0 GFADRO O=C(Cc1ccc(Br)c(Br)c1)N[C@H]1CCC[NH2+]C1 ZINC000662396684 565364895 /nfs/dbraw/zinc/36/48/95/565364895.db2.gz ZWQXFQLBKOYLSS-JTQLQIEISA-N 1 0 376.092 2.622 20 0 GFADRO CN(CC[NH+]1CCCCC1)C(=O)c1ccc(I)c(O)c1 ZINC000593884530 565366416 /nfs/dbraw/zinc/36/64/16/565366416.db2.gz XTUUPJZZYCMXLK-UHFFFAOYSA-N 1 0 388.249 2.555 20 0 GFADRO CCOC(=O)[C@H](Cc1cc(Cl)cc(Cl)c1)NC(=O)[C@@H]1CCC[NH2+]CC1 ZINC000593905232 565367188 /nfs/dbraw/zinc/36/71/88/565367188.db2.gz AKTKEGZLQVVITP-CJNGLKHVSA-N 1 0 387.307 2.974 20 0 GFADRO [NH3+]C[C@]12CCC[C@H]1CN(C(=O)c1ccc(I)c(F)c1)C2 ZINC000593911546 565367713 /nfs/dbraw/zinc/36/77/13/565367713.db2.gz GMVDQNHZUXCJSM-NHYWBVRUSA-N 1 0 388.224 2.631 20 0 GFADRO C[C@@H]1CN(C(=O)Cc2ccc(Br)c(Br)c2)CC[C@@H]1[NH3+] ZINC000662419837 565367944 /nfs/dbraw/zinc/36/79/44/565367944.db2.gz OQUNHHMXHREBMM-RNCFNFMXSA-N 1 0 390.119 2.950 20 0 GFADRO Cc1cc(Br)cc(C)c1CNC(=O)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC000662420967 565367957 /nfs/dbraw/zinc/36/79/57/565367957.db2.gz FHHCMGSCTQYAHZ-LBPRGKRZSA-N 1 0 377.286 2.796 20 0 GFADRO CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)c1cc(C(C)(C)[NH3+])no1 ZINC000662444200 565369279 /nfs/dbraw/zinc/36/92/79/565369279.db2.gz GHWCXHJUBPTYKJ-UHFFFAOYSA-N 1 0 385.251 2.886 20 0 GFADRO CC1(C)CC[NH2+][C@H]1C(=O)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000662472969 565369983 /nfs/dbraw/zinc/36/99/83/565369983.db2.gz RWGIUHPEOHAUQR-HNNXBMFYSA-N 1 0 384.307 2.666 20 0 GFADRO O=C(c1cnnn1C1CC[NH2+]CC1)N1CCc2c(Cl)cc(Cl)cc2C1 ZINC000662504388 565372866 /nfs/dbraw/zinc/37/28/66/565372866.db2.gz VJBWJQFHAZNDRM-UHFFFAOYSA-N 1 0 380.279 2.708 20 0 GFADRO O=C(c1cc(-c2ccc(Br)cc2)no1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000662519643 565373555 /nfs/dbraw/zinc/37/35/55/565373555.db2.gz TXMRLRVNWGOBKV-SWLSCSKDSA-N 1 0 376.254 2.928 20 0 GFADRO CN(Cc1csc(Br)c1)C(=O)c1cn([C@@H]2CCC[NH2+]CC2)nn1 ZINC000662521801 565374016 /nfs/dbraw/zinc/37/40/16/565374016.db2.gz IHRYWYGCEXYVQL-GFCCVEGCSA-N 1 0 398.330 2.689 20 0 GFADRO [NH3+]C[C@H]1OCC[C@H]1C(=O)Nc1ncc(Cc2cccc(Br)c2)s1 ZINC000662535364 565375165 /nfs/dbraw/zinc/37/51/65/565375165.db2.gz RDTNXSPOTPUQDF-ZIAGYGMSSA-N 1 0 396.310 2.799 20 0 GFADRO COc1cc(Br)ccc1[C@@H](C)NC(=O)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC000662534408 565375263 /nfs/dbraw/zinc/37/52/63/565375263.db2.gz AREQBTKIUCMQIL-GHMZBOCLSA-N 1 0 393.285 2.749 20 0 GFADRO COc1ccc(Br)cc1CNC(=O)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662547621 565375815 /nfs/dbraw/zinc/37/58/15/565375815.db2.gz BQDQDVQJMHBAKF-ZDUSSCGKSA-N 1 0 381.192 2.616 20 0 GFADRO [NH3+]C[C@H]1OCC[C@@H]1C(=O)Nc1cc(-c2cc(Br)ccc2Cl)[nH]n1 ZINC000662556002 565377381 /nfs/dbraw/zinc/37/73/81/565377381.db2.gz ZOWHSQVSZDGYPY-TVQRCGJNSA-N 1 0 399.676 2.795 20 0 GFADRO COc1ccc(CNC(=O)[C@@]2(C(F)(F)F)CC[NH2+]C2)cc1Br ZINC000662557668 565377487 /nfs/dbraw/zinc/37/74/87/565377487.db2.gz LDABSTMCYBJAFQ-CYBMUJFWSA-N 1 0 381.192 2.616 20 0 GFADRO N[C@@H](C(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1)c1ccccc1Br ZINC000662590435 565378164 /nfs/dbraw/zinc/37/81/64/565378164.db2.gz MKRHMFMDXIIROC-RHSMWYFYSA-N 1 0 380.330 2.687 20 0 GFADRO Cc1c(Br)cncc1C(=O)N1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000662576586 565378482 /nfs/dbraw/zinc/37/84/82/565378482.db2.gz WCOSNPBSQTUTGJ-CJNGLKHVSA-N 1 0 382.302 2.511 20 0 GFADRO CC[C@H](Cc1ccc(Br)cc1)NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC000620337720 565379617 /nfs/dbraw/zinc/37/96/17/565379617.db2.gz DMOSGDKDPTTWKI-MRXNPFEDSA-N 1 0 393.329 2.958 20 0 GFADRO Cc1c(Br)cccc1NC(=O)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000594361338 565381567 /nfs/dbraw/zinc/38/15/67/565381567.db2.gz AHNFKUKOQLTTMI-AWEZNQCLSA-N 1 0 394.313 2.783 20 0 GFADRO C[NH+](C)C[C@@H](CNS(=O)(=O)C[C@@]1(C)CC1(F)F)c1ccc(Cl)cc1 ZINC000641553058 565381700 /nfs/dbraw/zinc/38/17/00/565381700.db2.gz ARYZDRZRZPVXDA-UKRRQHHQSA-N 1 0 380.888 2.950 20 0 GFADRO CC[C@H](Cc1ccc(Br)cc1)NC(=O)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O ZINC000662733633 565382976 /nfs/dbraw/zinc/38/29/76/565382976.db2.gz UQBMKIZOPRFTPR-UCMJJCQDSA-N 1 0 393.325 2.701 20 0 GFADRO C[C@]([NH3+])(C(=O)N1CCOc2ccc(O)cc2C1)c1ccc(Br)cc1 ZINC000662734372 565383295 /nfs/dbraw/zinc/38/32/95/565383295.db2.gz GDUKHRHWPXOVHE-GOSISDBHSA-N 1 0 391.265 2.750 20 0 GFADRO CCO[C@H]1C[C@@]([NH3+])(C(=O)N2CCOc3cc(Br)ccc3C2)C1(C)C ZINC000662745986 565383735 /nfs/dbraw/zinc/38/37/35/565383735.db2.gz YRCBIQMNRXQGBO-MAUKXSAKSA-N 1 0 397.313 2.703 20 0 GFADRO Cc1cc(C)c(Br)c(C(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)c1 ZINC000620478284 565385054 /nfs/dbraw/zinc/38/50/54/565385054.db2.gz ANZRHHHJZIGQTK-OAHLLOKOSA-N 1 0 381.314 2.737 20 0 GFADRO O=C(N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662801693 565386145 /nfs/dbraw/zinc/38/61/45/565386145.db2.gz DYZUCGJCPILOCM-MEBBXXQBSA-N 1 0 379.785 2.716 20 0 GFADRO C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000620487443 565386355 /nfs/dbraw/zinc/38/63/55/565386355.db2.gz YSFYJQZTNMEJQY-OCCSQVGLSA-N 1 0 387.307 2.818 20 0 GFADRO CCN(CC)c1nc2sc(C(=O)Nc3nn(C)c(C)c3C[NH3+])cc2s1 ZINC000662837106 565387371 /nfs/dbraw/zinc/38/73/71/565387371.db2.gz JPIYMTUKBSMLKC-UHFFFAOYSA-N 1 0 378.527 2.957 20 0 GFADRO C[C@H]([NH3+])C[C@H](C)NC(=O)Cc1ccc(Br)c(Br)c1 ZINC000662825068 565387584 /nfs/dbraw/zinc/38/75/84/565387584.db2.gz YLNLPEAROBBSRI-IUCAKERBSA-N 1 0 378.108 2.996 20 0 GFADRO Cc1c(Br)cncc1C(=O)N1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000662832754 565387596 /nfs/dbraw/zinc/38/75/96/565387596.db2.gz YCTXFTXWMQQMKV-MAZHCROVSA-N 1 0 382.302 2.654 20 0 GFADRO Cc1cc(Br)c(CNC(=O)c2cn([C@H]3CCC[NH2+]CC3)nn2)s1 ZINC000662875039 565388286 /nfs/dbraw/zinc/38/82/86/565388286.db2.gz NGIXRNPHEBCCDX-NSHDSACASA-N 1 0 398.330 2.655 20 0 GFADRO Brc1ccc2ncnc(N3CC[NH+](C[C@@H]4CCCO4)CC3)c2c1 ZINC000620619930 565389168 /nfs/dbraw/zinc/38/91/68/565389168.db2.gz ZYVCURYYACBUST-AWEZNQCLSA-N 1 0 377.286 2.693 20 0 GFADRO O=C([C@H]1CC12CC[NH2+]CC2)N1CCOC[C@@H]1c1cccc(Br)c1 ZINC000662885397 565389832 /nfs/dbraw/zinc/38/98/32/565389832.db2.gz ZNDSKUJTZWDESJ-HZPDHXFCSA-N 1 0 379.298 2.739 20 0 GFADRO O=C([C@@H]1Cc2ccccc2C[NH2+]1)N1CCOc2cc(Br)ccc2C1 ZINC000662938785 565390042 /nfs/dbraw/zinc/39/00/42/565390042.db2.gz HYZSVNANVBKHKO-KRWDZBQOSA-N 1 0 387.277 2.885 20 0 GFADRO CCn1ccnc1[C@@H](C)NS(=O)(=O)c1cc(Cl)cc(C(=O)OC)c1F ZINC000594465219 565390410 /nfs/dbraw/zinc/39/04/10/565390410.db2.gz YWKUTKLRBSYMDT-SECBINFHSA-N 1 0 389.836 2.522 20 0 GFADRO Cc1c(Cl)cccc1-n1ccnc1SCC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000662945172 565391198 /nfs/dbraw/zinc/39/11/98/565391198.db2.gz HYMNXGBBFCDBHP-ZIAGYGMSSA-N 1 0 382.892 2.824 20 0 GFADRO Cc1nn(-c2ccc(C(=O)N[C@@]3(C)CC[NH2+]C3)cc2)c(C)c1Br ZINC000663007576 565392611 /nfs/dbraw/zinc/39/26/11/565392611.db2.gz DCFLKSIPKUSJEK-KRWDZBQOSA-N 1 0 377.286 2.733 20 0 GFADRO C[C@]1(NC(=O)c2ccc(NC(=O)CSc3cccs3)cc2)CC[NH2+]C1 ZINC000663011881 565393629 /nfs/dbraw/zinc/39/36/29/565393629.db2.gz YMYVJRAYTLCDSQ-SFHVURJKSA-N 1 0 375.519 2.961 20 0 GFADRO C[NH+](C)C[C@H]1COC2(CCCC2)CN1C(=O)c1ccc(Br)c(O)c1 ZINC000620909377 565400415 /nfs/dbraw/zinc/40/04/15/565400415.db2.gz HTKJYKODGFAUQC-AWEZNQCLSA-N 1 0 397.313 2.870 20 0 GFADRO [NH3+]C/C=C/CNC(=O)N(Cc1cccc(Br)c1)C1CCOCC1 ZINC000641866601 565401299 /nfs/dbraw/zinc/40/12/99/565401299.db2.gz FOSWAOMGDAOMBP-OWOJBTEDSA-N 1 0 382.302 2.655 20 0 GFADRO Cc1[nH]c(=O)c(Br)cc1C(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000620935552 565401912 /nfs/dbraw/zinc/40/19/12/565401912.db2.gz PVZSDOYQJSITRA-UHFFFAOYSA-N 1 0 382.302 2.710 20 0 GFADRO COc1cc(C)c(Br)cc1C(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000620975925 565402861 /nfs/dbraw/zinc/40/28/61/565402861.db2.gz DMJXHGXPKUCSLY-CQSZACIVSA-N 1 0 399.329 2.949 20 0 GFADRO COC(=O)c1cc(C[NH2+]C[C@H](O)COc2ccccc2Br)c(C)o1 ZINC000594608248 565403122 /nfs/dbraw/zinc/40/31/22/565403122.db2.gz JWWKHWPYTXWAIV-ZDUSSCGKSA-N 1 0 398.253 2.667 20 0 GFADRO C[C@H](Oc1ccc(Br)cc1)C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000620964395 565403320 /nfs/dbraw/zinc/40/33/20/565403320.db2.gz ZHGIYUKCPSALRB-YOEHRIQHSA-N 1 0 399.329 2.786 20 0 GFADRO C[NH+](C)CCC[C@H]1CN(C(=O)Cc2cc(F)ccc2Br)CCO1 ZINC000620971460 565403575 /nfs/dbraw/zinc/40/35/75/565403575.db2.gz IPYBZMWTJIHUKX-HNNXBMFYSA-N 1 0 387.293 2.700 20 0 GFADRO C[NH2+][C@@H](C)c1cn(Cc2ccc(I)c(Cl)c2)nn1 ZINC000594655343 565404313 /nfs/dbraw/zinc/40/43/13/565404313.db2.gz JZHJMKYEOYDLSB-QMMMGPOBSA-N 1 0 376.629 2.865 20 0 GFADRO CC(C)[C@H]1CN(C(=O)c2nn(-c3ccc(F)cc3)cc2Br)CC[NH2+]1 ZINC000621155065 565408114 /nfs/dbraw/zinc/40/81/14/565408114.db2.gz YHICOAYHIQTXHO-OAHLLOKOSA-N 1 0 395.276 2.844 20 0 GFADRO CCOCC[C@@H](O)C[NH2+]Cc1cc(Cl)ccc1I ZINC000594717622 565411049 /nfs/dbraw/zinc/41/10/49/565411049.db2.gz DCEOSWLNCRABEB-GFCCVEGCSA-N 1 0 383.657 2.822 20 0 GFADRO CNS(=O)(=O)CC[NH2+][C@H](CC1CC1)c1cc(F)cc(Br)c1 ZINC000621281594 565414681 /nfs/dbraw/zinc/41/46/81/565414681.db2.gz BLPRJMFYICOXAB-CQSZACIVSA-N 1 0 379.295 2.568 20 0 GFADRO CC[C@H](Cc1ccc(Br)cc1)[NH2+]C[C@@H](O)COC1CCOCC1 ZINC000663368615 565414720 /nfs/dbraw/zinc/41/47/20/565414720.db2.gz LBMSEGZGOSLCNU-IAGOWNOFSA-N 1 0 386.330 2.916 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S(=O)(=O)CC[NH2+][C@H](C(C)C)C1CC1 ZINC000663363385 565414854 /nfs/dbraw/zinc/41/48/54/565414854.db2.gz KRIMEEBZEIOSGE-GOSISDBHSA-N 1 0 387.567 2.668 20 0 GFADRO CCn1nccc1C[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000663377449 565416541 /nfs/dbraw/zinc/41/65/41/565416541.db2.gz RCIUOBFROLJDJF-CYBMUJFWSA-N 1 0 388.693 2.848 20 0 GFADRO CC[NH+]1CCN(Cc2ccccc2CNc2cc(Br)cnn2)CC1 ZINC000663388809 565418108 /nfs/dbraw/zinc/41/81/08/565418108.db2.gz XZUNINMBIFSTFG-UHFFFAOYSA-N 1 0 390.329 2.989 20 0 GFADRO C[C@H]1c2cc(Cl)c(Cl)cc2CCN1C(=O)C(=O)NCC1CC[NH2+]CC1 ZINC000642893663 565418963 /nfs/dbraw/zinc/41/89/63/565418963.db2.gz PRHSHZWJVDRFOI-NSHDSACASA-N 1 0 384.307 2.555 20 0 GFADRO O=C(NCCc1ccc(Cl)cc1Cl)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000663412893 565419300 /nfs/dbraw/zinc/41/93/00/565419300.db2.gz UEFHDXMLDAQPBJ-INIZCTEOSA-N 1 0 386.323 2.777 20 0 GFADRO CN(Cc1cc(Br)cs1)C(=O)C[N@@H+]1CC(C)(C)CC[C@H]1CO ZINC000621380078 565423533 /nfs/dbraw/zinc/42/35/33/565423533.db2.gz MRGFWIYLMMYPLQ-ZDUSSCGKSA-N 1 0 389.359 2.952 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(C(=O)NCC(F)(F)c3ccc(Br)cc3)C[C@@H]21 ZINC000621507727 565427437 /nfs/dbraw/zinc/42/74/37/565427437.db2.gz SQQQREOAPPFATL-RISCZKNCSA-N 1 0 388.256 2.886 20 0 GFADRO C[N@@H+]1CCC[C@H](NC(=O)N2CCOC[C@H]2c2ccc(Br)cc2)C1 ZINC000663775547 565435337 /nfs/dbraw/zinc/43/53/37/565435337.db2.gz YYWYHHXVETWYNU-HOTGVXAUSA-N 1 0 382.302 2.626 20 0 GFADRO O[C@@H](C[NH2+]Cc1cc(Cl)ccc1I)C1CCOCC1 ZINC000594923000 565435539 /nfs/dbraw/zinc/43/55/39/565435539.db2.gz ROCICRVYWWVNLC-AWEZNQCLSA-N 1 0 395.668 2.822 20 0 GFADRO O=C(NCC(F)(F)c1ccc(Br)cc1)[C@H]1C[NH2+]CCC1(F)F ZINC000621674989 565435773 /nfs/dbraw/zinc/43/57/73/565435773.db2.gz KMFZGXQBAHAIBK-LLVKDONJSA-N 1 0 383.183 2.902 20 0 GFADRO [NH3+]C1CCC(OCC(=O)NCC(F)(F)c2ccc(Br)cc2)CC1 ZINC000621671061 565435858 /nfs/dbraw/zinc/43/58/58/565435858.db2.gz HBMIPFPPEIKIBW-UHFFFAOYSA-N 1 0 391.256 2.944 20 0 GFADRO COCC[N@@H+]1CC[C@@H](NCc2cc(Cl)ccc2I)C1 ZINC000594925220 565435879 /nfs/dbraw/zinc/43/58/79/565435879.db2.gz QLTPHOGCGXEHJD-CYBMUJFWSA-N 1 0 394.684 2.755 20 0 GFADRO [NH3+]C[C@@H]1c2ccccc2CCN1C(=O)c1cc2c(cc1Br)OCO2 ZINC000621667914 565436089 /nfs/dbraw/zinc/43/60/89/565436089.db2.gz PICORIPNLAQBOY-OAHLLOKOSA-N 1 0 389.249 2.876 20 0 GFADRO CCOc1c(Br)cc(C(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)cc1OC ZINC000621688460 565436893 /nfs/dbraw/zinc/43/68/93/565436893.db2.gz VGDJOJQRYKVKOM-SJKOYZFVSA-N 1 0 383.286 2.810 20 0 GFADRO CCOc1c(Br)cc(C(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)cc1OC ZINC000621688461 565436901 /nfs/dbraw/zinc/43/69/01/565436901.db2.gz VGDJOJQRYKVKOM-YVEFUNNKSA-N 1 0 383.286 2.810 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000621684967 565437013 /nfs/dbraw/zinc/43/70/13/565437013.db2.gz WJITXUMARYWZMR-FZKQIMNGSA-N 1 0 389.297 2.897 20 0 GFADRO [NH3+][C@]12CCC[C@@H]1CN(C(=O)C1CCN(C(=O)c3ccc(Cl)s3)CC1)C2 ZINC000621694176 565437058 /nfs/dbraw/zinc/43/70/58/565437058.db2.gz CTQCJDWAXZKCRJ-ACJLOTCBSA-N 1 0 381.929 2.594 20 0 GFADRO COc1ccc(Br)c(CNC(=O)N[C@H]2CC[N@H+](CC3CC3)C2)c1 ZINC000594971993 565438385 /nfs/dbraw/zinc/43/83/85/565438385.db2.gz YJFWJMUHZVPKHH-AWEZNQCLSA-N 1 0 382.302 2.741 20 0 GFADRO [NH3+][C@@]12CCC[C@@H]1CN(C(=O)C1(c3ccc(Br)cc3)CCOCC1)C2 ZINC000621697612 565438716 /nfs/dbraw/zinc/43/87/16/565438716.db2.gz LCRSXLUTBLMQSZ-DNVCBOLYSA-N 1 0 393.325 2.837 20 0 GFADRO COc1ccc(Br)cc1CNC(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000594979330 565439452 /nfs/dbraw/zinc/43/94/52/565439452.db2.gz ACBABDQEXDFVJL-OAHLLOKOSA-N 1 0 382.302 2.741 20 0 GFADRO C[C@@H](CN1CC[NH+](C)CC1)N[C@H](c1ccc(Br)cc1)C(F)F ZINC000621751560 565440172 /nfs/dbraw/zinc/44/01/72/565440172.db2.gz IUYQDJNCHFUDNY-SWLSCSKDSA-N 1 0 376.289 2.981 20 0 GFADRO C[NH+](C)CCC[C@@H]1CN(C(=O)NCCc2ccccc2Br)CCO1 ZINC000663870791 565440618 /nfs/dbraw/zinc/44/06/18/565440618.db2.gz JUKVALVHMSSDMC-MRXNPFEDSA-N 1 0 398.345 2.744 20 0 GFADRO CS(=O)(=O)c1ccc(-c2nc(CN3C[C@H]4CCC[C@]4([NH3+])C3)cs2)cc1 ZINC000621782301 565441295 /nfs/dbraw/zinc/44/12/95/565441295.db2.gz ORFMTPDZAQLMNK-KDOFPFPSSA-N 1 0 377.535 2.527 20 0 GFADRO C[C@H](CN1CCCC1=O)[NH2+][C@@H]1CCc2ccc(I)cc21 ZINC000595017714 565442647 /nfs/dbraw/zinc/44/26/47/565442647.db2.gz NLNGJRBAOFKSQJ-IAQYHMDHSA-N 1 0 384.261 2.879 20 0 GFADRO C[C@H](CCS(C)(=O)=O)[NH2+][C@H]1CCc2ccc(I)cc21 ZINC000595020854 565443674 /nfs/dbraw/zinc/44/36/74/565443674.db2.gz NTZCTVTYNAHXOV-YGRLFVJLSA-N 1 0 393.290 2.691 20 0 GFADRO CN(C)c1nccc(C[NH2+][C@H]2CCc3ccc(I)cc32)n1 ZINC000595024590 565443749 /nfs/dbraw/zinc/44/37/49/565443749.db2.gz BEFCFFHZLZYACC-HNNXBMFYSA-N 1 0 394.260 2.924 20 0 GFADRO Ic1ccc2c(c1)[C@@H]([NH2+]CCN1C[C@H]3CC[C@@H](C1)O3)CC2 ZINC000595043867 565444272 /nfs/dbraw/zinc/44/42/72/565444272.db2.gz YWDAFXWSLFWFEC-UXLLHSPISA-N 1 0 398.288 2.731 20 0 GFADRO C[C@]1(C[NH3+])CCN(C(=O)NCC(F)(F)c2ccc(Br)cc2)C1 ZINC000621851564 565444582 /nfs/dbraw/zinc/44/45/82/565444582.db2.gz XPNILJKQEMOVCZ-CQSZACIVSA-N 1 0 376.245 2.921 20 0 GFADRO O=C(NCC(F)(F)c1ccc(Br)cc1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000621851310 565444918 /nfs/dbraw/zinc/44/49/18/565444918.db2.gz QLCIEMVZXODUMR-RISCZKNCSA-N 1 0 388.256 2.934 20 0 GFADRO COC[C@]1(C(=O)N2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)CCC[NH2+]1 ZINC000643785773 565445184 /nfs/dbraw/zinc/44/51/84/565445184.db2.gz ZQEKKHJHSXASBO-ABAIWWIYSA-N 1 0 377.432 2.637 20 0 GFADRO COCCOC[C@H](C)[NH2+][C@H]1CCc2ccc(I)cc21 ZINC000595028819 565445180 /nfs/dbraw/zinc/44/51/80/565445180.db2.gz VQJNNVKDJTZYJN-NHYWBVRUSA-N 1 0 375.250 2.920 20 0 GFADRO CCS(=O)(=O)C1(C[NH2+][C@@H](C)c2ccc(I)cc2)CC1 ZINC000595100711 565447819 /nfs/dbraw/zinc/44/78/19/565447819.db2.gz IGPAXFGJTBCGIF-NSHDSACASA-N 1 0 393.290 2.909 20 0 GFADRO C[C@H]([NH2+]C[C@@H]1CNc2ccnn2C1)c1cc2c(cc1Br)OCCO2 ZINC000595144291 565451288 /nfs/dbraw/zinc/45/12/88/565451288.db2.gz BHORSLPILNSDGV-NWDGAFQWSA-N 1 0 393.285 2.809 20 0 GFADRO C[C@@H](NC(=O)c1cc(Br)c[nH]c1=O)[C@H](c1ccccc1)[NH+](C)C ZINC000621957385 565451587 /nfs/dbraw/zinc/45/15/87/565451587.db2.gz SGEDZSWUNVEREU-IAQYHMDHSA-N 1 0 378.270 2.971 20 0 GFADRO [NH3+][C@]12CCC[C@H]1CN(S(=O)(=O)Cc1cc(Cl)ccc1Br)C2 ZINC000622014565 565455241 /nfs/dbraw/zinc/45/52/41/565455241.db2.gz HSICWSRLYSBLJA-FZMZJTMJSA-N 1 0 393.734 2.746 20 0 GFADRO [NH3+][C@]12CCC[C@H]1CN(S(=O)(=O)c1cc(Cl)c(Br)cc1F)C2 ZINC000622014518 565455328 /nfs/dbraw/zinc/45/53/28/565455328.db2.gz GSSYGBZLFBBAPP-SDBXPKJASA-N 1 0 397.697 2.744 20 0 GFADRO C[C@H]1CCCN(C(=O)c2cn(-c3ccc(Br)cc3)cn2)[C@H]1C[NH3+] ZINC000644063624 565456159 /nfs/dbraw/zinc/45/61/59/565456159.db2.gz OENGNKNFOHAFKI-LRDDRELGSA-N 1 0 377.286 2.834 20 0 GFADRO COC(=O)c1cc(NC(=O)N(C)CC(C)(C)[NH3+])c(Br)cc1F ZINC000595229179 565456839 /nfs/dbraw/zinc/45/68/39/565456839.db2.gz DQHOMMYGENOETR-UHFFFAOYSA-N 1 0 376.226 2.576 20 0 GFADRO CCN(C(=O)NC[C@H](C)Oc1ccc(Br)cc1)[C@H]1CC[N@H+](C)C1 ZINC000664255840 565456842 /nfs/dbraw/zinc/45/68/42/565456842.db2.gz OMXGLJSJPWFWDE-ZFWWWQNUSA-N 1 0 384.318 2.952 20 0 GFADRO CCN(C(=O)NC[C@H](C)Oc1cccc(Br)c1)[C@@H]1CC[N@H+](C)C1 ZINC000664251945 565456975 /nfs/dbraw/zinc/45/69/75/565456975.db2.gz WSVTYKFXNBAJOF-DZGCQCFKSA-N 1 0 384.318 2.952 20 0 GFADRO CC[C@H](Cc1cccc(Br)c1)C(=O)N1CC[C@@H](OC)C[C@H]1C[NH3+] ZINC000644106053 565458505 /nfs/dbraw/zinc/45/85/05/565458505.db2.gz MMZZZJQOCUBNCD-HYVNUMGLSA-N 1 0 383.330 2.983 20 0 GFADRO CCc1c(C(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)cnn1-c1ccc(Br)cc1 ZINC000644142802 565460384 /nfs/dbraw/zinc/46/03/84/565460384.db2.gz IPDWQSOPTIIKLK-STQMWFEESA-N 1 0 395.276 2.627 20 0 GFADRO O=C(NCCC[C@H]1CCC[NH2+]1)c1cc(=O)[nH]c2ccc(Br)cc21 ZINC000644132614 565460481 /nfs/dbraw/zinc/46/04/81/565460481.db2.gz DFAZCCQTMAUJBJ-GFCCVEGCSA-N 1 0 378.270 2.965 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+](C2CCCCC2)C1)c1nc2ccc(Br)cn2n1 ZINC000664379194 565461532 /nfs/dbraw/zinc/46/15/32/565461532.db2.gz DMMVAQPFFOYUBS-CYBMUJFWSA-N 1 0 392.301 2.629 20 0 GFADRO C[C@@H](CCNC(=O)C(=O)Nc1ccc(OC(F)(F)F)cc1Cl)[NH+](C)C ZINC000664623706 565470426 /nfs/dbraw/zinc/47/04/26/565470426.db2.gz CHJNFQIAXLJGCL-VIFPVBQESA-N 1 0 381.782 2.634 20 0 GFADRO CC(C)[NH2+][C@H]1CCCN(C(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CC2)C1 ZINC000664723097 565475292 /nfs/dbraw/zinc/47/52/92/565475292.db2.gz PWUJMUAPQZYXND-HNNXBMFYSA-N 1 0 384.929 2.635 20 0 GFADRO CC[N@H+](CCNC(=O)NCC1(O)CCC(F)(F)CC1)CCC(F)(F)F ZINC000664748380 565476875 /nfs/dbraw/zinc/47/68/75/565476875.db2.gz WQMANTHBXUJINU-UHFFFAOYSA-N 1 0 375.382 2.500 20 0 GFADRO O=C(NCC[NH2+]C[C@H](O)COc1ccc(Cl)c(Cl)c1)c1ccccc1 ZINC000644515676 565478805 /nfs/dbraw/zinc/47/88/05/565478805.db2.gz NJWPZYAALCUVOR-AWEZNQCLSA-N 1 0 383.275 2.753 20 0 GFADRO C[C@H](C[NH2+]C[C@H](c1ccc(Cl)cc1)N1CCOC(C)(C)C1)S(C)(=O)=O ZINC000644545417 565480525 /nfs/dbraw/zinc/48/05/25/565480525.db2.gz VAHSUKQWMJJYSU-RHSMWYFYSA-N 1 0 388.961 2.515 20 0 GFADRO COc1cc([C@H](C)[NH2+][C@H]2CC[C@@](O)(C(F)(F)F)C2)ccc1S(C)(=O)=O ZINC000644553083 565481463 /nfs/dbraw/zinc/48/14/63/565481463.db2.gz JUGHKAFGPLPIOU-WBIUFABUSA-N 1 0 381.416 2.595 20 0 GFADRO O[C@H](C[NH2+]CCCOC1CCOCC1)COc1ccc(Cl)c(Cl)c1 ZINC000644574388 565482905 /nfs/dbraw/zinc/48/29/05/565482905.db2.gz ZQRCWYYAASNDFF-CYBMUJFWSA-N 1 0 378.296 2.908 20 0 GFADRO CC1CC[NH+](Cc2nc(-c3cnn4cc(Br)cnc34)no2)CC1 ZINC000664953894 565485600 /nfs/dbraw/zinc/48/56/00/565485600.db2.gz AGDVMCPSZQNLTG-UHFFFAOYSA-N 1 0 377.246 2.774 20 0 GFADRO COC(=O)[C@@H](c1ccccc1Br)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000595895249 565496053 /nfs/dbraw/zinc/49/60/53/565496053.db2.gz GOSDRJITDQDNFD-RHSMWYFYSA-N 1 0 381.314 2.985 20 0 GFADRO COc1ccc(Br)cc1C(=O)CCC(=O)N1CC[C@@H]2C[N@H+](C)C[C@@H]21 ZINC000644820384 565496546 /nfs/dbraw/zinc/49/65/46/565496546.db2.gz WVTWBLPDUNROIH-DOMZBBRYSA-N 1 0 395.297 2.583 20 0 GFADRO COC(=O)c1cccc(Br)c1CN1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000595906753 565497524 /nfs/dbraw/zinc/49/75/24/565497524.db2.gz MZCPNZLLAOXYOK-AWEZNQCLSA-N 1 0 399.329 2.778 20 0 GFADRO C[N@H+]1C[C@H]2[C@@H](CCN2S(=O)(=O)c2ccc3ccccc3c2Br)C1 ZINC000644862511 565498954 /nfs/dbraw/zinc/49/89/54/565498954.db2.gz RTWQRFAZEZROSS-ZFWWWQNUSA-N 1 0 395.322 2.927 20 0 GFADRO COC(=O)CC[C@H]([NH3+])C(=O)Nc1nnc(-c2cc(Cl)cc(Cl)c2)s1 ZINC000595939173 565501458 /nfs/dbraw/zinc/50/14/58/565501458.db2.gz GGKIAGFGEUMBFY-JTQLQIEISA-N 1 0 389.264 2.731 20 0 GFADRO COCCC[NH2+]Cc1cc(Cl)cc(Cl)c1OCCN1CCOCC1 ZINC000623336503 565504352 /nfs/dbraw/zinc/50/43/52/565504352.db2.gz RMFPBTISBPFROK-UHFFFAOYSA-N 1 0 377.312 2.831 20 0 GFADRO C[C@@H](CNC(=O)NCc1c(F)c(F)c(Br)c(F)c1F)[NH+](C)C ZINC000644961648 565504825 /nfs/dbraw/zinc/50/48/25/565504825.db2.gz IGFYECDUGXGOJS-LURJTMIESA-N 1 0 386.187 2.755 20 0 GFADRO C[C@@H](CNCc1cc(Cl)cc(Cl)c1OCCN1CCOCC1)[NH+](C)C ZINC000623403177 565508333 /nfs/dbraw/zinc/50/83/33/565508333.db2.gz LXRJJMVTQUMVNU-AWEZNQCLSA-N 1 0 390.355 2.744 20 0 GFADRO C[C@]1(NC(=O)Nc2ccc(Cl)cc2I)CC[NH2+]C1 ZINC000596119666 565514720 /nfs/dbraw/zinc/51/47/20/565514720.db2.gz NKIHCYOLNBDDPP-LBPRGKRZSA-N 1 0 379.629 2.818 20 0 GFADRO OC[C@]1([C@H]([NH2+]Cc2cn3cc(Br)ccc3n2)C2CC2)CCCO1 ZINC000645264718 565519188 /nfs/dbraw/zinc/51/91/88/565519188.db2.gz FQJAOWCHHQMSEZ-SJORKVTESA-N 1 0 380.286 2.507 20 0 GFADRO Cc1nn(-c2cccc(Br)c2)cc1C[NH2+]C[C@H](O)[C@@H]1CCCO1 ZINC000623620083 565520566 /nfs/dbraw/zinc/52/05/66/565520566.db2.gz FJOKQGYRZFEKGN-IRXDYDNUSA-N 1 0 380.286 2.573 20 0 GFADRO COc1cc(CNC(=O)N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)c(Br)cc1O ZINC000645354115 565521253 /nfs/dbraw/zinc/52/12/53/565521253.db2.gz OEMAQHGQXPNZCE-JQWIXIFHSA-N 1 0 398.301 2.588 20 0 GFADRO COCC[N@@H+]1CC[C@@H](NC(=O)NCC/C=C/c2ccc(Br)cc2)C1 ZINC000623635018 565521501 /nfs/dbraw/zinc/52/15/01/565521501.db2.gz OIYORPQPKSKQDJ-NKEDHYFDSA-N 1 0 396.329 2.872 20 0 GFADRO OC[C@]1([NH2+]Cc2cc3n(n2)CCCC3)CCc2cc(Br)ccc2C1 ZINC000623645275 565522605 /nfs/dbraw/zinc/52/26/05/565522605.db2.gz VXGZPYUIHKZBPN-IBGZPJMESA-N 1 0 390.325 2.992 20 0 GFADRO COc1cncc(C[NH2+][C@@]2(CO)CCc3cc(Br)ccc3C2)c1 ZINC000623644791 565523310 /nfs/dbraw/zinc/52/33/10/565523310.db2.gz AMTXNBVDFHRLTI-SFHVURJKSA-N 1 0 377.282 2.862 20 0 GFADRO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+][C@@H]1CCN(C2CCCCC2)C1=O ZINC000666108949 565523376 /nfs/dbraw/zinc/52/33/76/565523376.db2.gz ZMLNOOMNIJVUIL-XJKSGUPXSA-N 1 0 396.329 2.523 20 0 GFADRO Cc1cc(Br)c(C[NH2+][C@@H]2CCN(c3ccc4nncn4n3)C2)s1 ZINC000623651079 565523378 /nfs/dbraw/zinc/52/33/78/565523378.db2.gz CLLFAQSOACVYFP-LLVKDONJSA-N 1 0 393.314 2.625 20 0 GFADRO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+][C@@H](C)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000666090281 565523667 /nfs/dbraw/zinc/52/36/67/565523667.db2.gz UQAKTEYIWCSVJY-QWRGUYRKSA-N 1 0 391.269 2.932 20 0 GFADRO CS(=O)(=O)CC1CCC([NH2+][C@@H](CO)c2ccc(Br)cc2)CC1 ZINC000645430390 565525138 /nfs/dbraw/zinc/52/51/38/565525138.db2.gz QZMOQHCNKAUBMD-MOQPWLNLSA-N 1 0 390.343 2.676 20 0 GFADRO CCN(C(=O)Nc1ccc(NS(C)(=O)=O)c(Cl)c1)[C@H]1CC[N@H+](CC)C1 ZINC000666157855 565525989 /nfs/dbraw/zinc/52/59/89/565525989.db2.gz FVGDZSPHXHUBEM-ZDUSSCGKSA-N 1 0 388.921 2.660 20 0 GFADRO CS(=O)(=O)CC1CCC([NH2+][C@H](CO)c2ccc(Br)cc2)CC1 ZINC000645430391 565526074 /nfs/dbraw/zinc/52/60/74/565526074.db2.gz QZMOQHCNKAUBMD-VDSRIPIWSA-N 1 0 390.343 2.676 20 0 GFADRO CN(CCC[NH+](C)C)CCNC(=O)Nc1c(F)cc(Br)cc1F ZINC000666201122 565526817 /nfs/dbraw/zinc/52/68/17/565526817.db2.gz YYUMYPXDKBTVLB-UHFFFAOYSA-N 1 0 393.276 2.732 20 0 GFADRO Cc1noc([C@@H]2OCC[C@@H]2[NH2+]Cc2cnc3c(C)cc(Br)cn23)n1 ZINC000623815573 565532102 /nfs/dbraw/zinc/53/21/02/565532102.db2.gz HWWZXVWTOATXRY-UONOGXRCSA-N 1 0 392.257 2.716 20 0 GFADRO CN(CC1C[NH+](C)C1)C(=O)N[C@@H]1CSCc2ccc(Br)cc21 ZINC000666399828 565535569 /nfs/dbraw/zinc/53/55/69/565535569.db2.gz VWLOCXZVAUHPPZ-OAHLLOKOSA-N 1 0 384.343 2.940 20 0 GFADRO C[C@@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+]C[C@H]1CCCN1S(C)(=O)=O ZINC000623923923 565536421 /nfs/dbraw/zinc/53/64/21/565536421.db2.gz OMIBPHFAKKUGFG-CMPLNLGQSA-N 1 0 399.866 2.698 20 0 GFADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)NCc3ccc(Cl)c(Cl)c3)C2)CC1 ZINC000596821034 565536691 /nfs/dbraw/zinc/53/66/91/565536691.db2.gz XFDKOUXQWJSQDC-OAHLLOKOSA-N 1 0 385.339 2.915 20 0 GFADRO C[N@@H+]1CCC[C@H](CNS(=O)(=O)CCC[C@H]2CCOC2)[C@H]1c1cccs1 ZINC000645561676 565538235 /nfs/dbraw/zinc/53/82/35/565538235.db2.gz HIIUXRLQASRPJS-JZXOWHBKSA-N 1 0 386.583 2.867 20 0 GFADRO COc1cc(Br)cc(NC(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)c1 ZINC000666479764 565539119 /nfs/dbraw/zinc/53/91/19/565539119.db2.gz YGZXIZZZBLKZQB-OAHLLOKOSA-N 1 0 398.301 2.521 20 0 GFADRO COc1ncc(Br)cc1C[NH2+][C@@H](C)c1ccc(-n2cnnn2)cc1 ZINC000624132875 565544049 /nfs/dbraw/zinc/54/40/49/565544049.db2.gz BOFWQEKOPORPEZ-NSHDSACASA-N 1 0 389.257 2.679 20 0 GFADRO C[C@H](CC[NH+](C)C)NC(=O)Nc1ccc(I)cc1F ZINC000597018545 565546373 /nfs/dbraw/zinc/54/63/73/565546373.db2.gz PVVXAZDXAFESFP-SECBINFHSA-N 1 0 379.217 2.892 20 0 GFADRO CC(C)[NH+]1CCN([C@@H]2CCN(Cc3c(F)cncc3Br)C2)CC1 ZINC000597028032 565549324 /nfs/dbraw/zinc/54/93/24/565549324.db2.gz ZYVVMSWSEOYOQW-CQSZACIVSA-N 1 0 385.325 2.584 20 0 GFADRO C[C@H]([NH2+]C[C@@H]1CN(Cc2ccncc2)CCO1)c1ccc(Br)cn1 ZINC000624264251 565550237 /nfs/dbraw/zinc/55/02/37/565550237.db2.gz WYUSMUUHDMUGOH-WMLDXEAASA-N 1 0 391.313 2.791 20 0 GFADRO COC(=O)c1oc(C[NH2+]C[C@H](O)COc2ccccc2Br)cc1C ZINC000597064310 565550450 /nfs/dbraw/zinc/55/04/50/565550450.db2.gz QSCYQBQHJFUZTE-LBPRGKRZSA-N 1 0 398.253 2.667 20 0 GFADRO COc1cc(NC(=O)N2C[C@@H](SC)[C@H]([NH+](C)C)C2)ccc1OC(F)F ZINC000597114595 565551772 /nfs/dbraw/zinc/55/17/72/565551772.db2.gz ZSEPTIJPWAVAJF-BXUZGUMPSA-N 1 0 375.441 2.806 20 0 GFADRO Cc1cc(Br)c(F)cc1S(=O)(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000624373884 565553868 /nfs/dbraw/zinc/55/38/68/565553868.db2.gz AJGZNGCXHNABRW-NHYWBVRUSA-N 1 0 391.306 2.646 20 0 GFADRO O=C(NCc1csc(C(F)(F)F)c1)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000624382425 565554520 /nfs/dbraw/zinc/55/45/20/565554520.db2.gz BIDJVZAORAYBCU-ZDUSSCGKSA-N 1 0 377.432 2.819 20 0 GFADRO [NH3+]C[C@H]1CN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC[C@H]1C(F)(F)F ZINC000624389972 565554884 /nfs/dbraw/zinc/55/48/84/565554884.db2.gz QTYZKBJPQBDWFE-JOYOIKCWSA-N 1 0 390.349 2.853 20 0 GFADRO C[C@H]1CC[C@H](NS(=O)(=O)Cc2ccc(Br)cc2Cl)C[NH2+]1 ZINC000624404660 565555973 /nfs/dbraw/zinc/55/59/73/565555973.db2.gz VRMCVSJNZCWDDA-CABZTGNLSA-N 1 0 381.723 2.662 20 0 GFADRO C[NH2+]CCOCCN(C)S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000624396477 565556002 /nfs/dbraw/zinc/55/60/02/565556002.db2.gz SOJGJQANLNSHIK-UHFFFAOYSA-N 1 0 375.705 2.503 20 0 GFADRO CN(CCn1cc(Br)cn1)C(=O)NC[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000624545451 565562616 /nfs/dbraw/zinc/56/26/16/565562616.db2.gz AOICTRRYBPDQFX-MRXNPFEDSA-N 1 0 398.349 2.694 20 0 GFADRO CCC[N@@H+]1CC[C@H](NC(=O)N[C@@H](CCO)c2ccccc2Br)C1 ZINC000666924050 565563187 /nfs/dbraw/zinc/56/31/87/565563187.db2.gz XMRHKILUABVYDP-BBRMVZONSA-N 1 0 384.318 2.656 20 0 GFADRO O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)N1CCc2c1cccc2Br ZINC000666978720 565566213 /nfs/dbraw/zinc/56/62/13/565566213.db2.gz CLQFJWSYCGTQQQ-CQSZACIVSA-N 1 0 394.313 2.775 20 0 GFADRO CC[C@H]1C[N@H+](C)CCCN1C(=O)Cc1ccccc1I ZINC000597604504 565567747 /nfs/dbraw/zinc/56/77/47/565567747.db2.gz JGBZFQDRLHAMRG-AWEZNQCLSA-N 1 0 386.277 2.776 20 0 GFADRO O=C(NC[C@@H]1CCCC[NH2+]1)Nc1cc(Br)ccc1-n1cccn1 ZINC000667088145 565569136 /nfs/dbraw/zinc/56/91/36/565569136.db2.gz AEVHRBFGGAFBBY-ZDUSSCGKSA-N 1 0 378.274 2.898 20 0 GFADRO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCCC(=O)Nc1ccc(Br)cc1C ZINC000645858381 565569422 /nfs/dbraw/zinc/56/94/22/565569422.db2.gz ZJOCWOUAQMURAK-KBPBESRZSA-N 1 0 382.302 2.590 20 0 GFADRO C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)Cc1cccc(I)c1)C2 ZINC000597716235 565571717 /nfs/dbraw/zinc/57/17/17/565571717.db2.gz PXIKCJRWODMFJS-QGZVFWFLSA-N 1 0 398.288 2.778 20 0 GFADRO C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1ccc(I)cc1)C2 ZINC000597715536 565571885 /nfs/dbraw/zinc/57/18/85/565571885.db2.gz LQYYJBRZKFOALG-MRXNPFEDSA-N 1 0 384.261 2.849 20 0 GFADRO C[NH+](C)C[C@@](C)(O)CNC(=O)N[C@@H]1CCCCc2cc(Br)ccc21 ZINC000667213249 565577966 /nfs/dbraw/zinc/57/79/66/565577966.db2.gz PRLGWWBXNBNMCN-AEFFLSMTSA-N 1 0 398.345 2.828 20 0 GFADRO O=C(NCCCc1cccc(Br)c1)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000645955710 565578192 /nfs/dbraw/zinc/57/81/92/565578192.db2.gz ORYJVXLHVSZARS-ZDUSSCGKSA-N 1 0 377.286 2.612 20 0 GFADRO O=C(NCC[C@@H]1CC[NH2+]C1)Nc1cnn(-c2ccccc2Br)c1 ZINC000667276238 565580008 /nfs/dbraw/zinc/58/00/08/565580008.db2.gz XUOJEIVJPKDHFV-LBPRGKRZSA-N 1 0 378.274 2.756 20 0 GFADRO CC(C)c1cc(Br)ccc1NC(=O)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000667266423 565580404 /nfs/dbraw/zinc/58/04/04/565580404.db2.gz XLNFCGKQTJRWNH-CYBMUJFWSA-N 1 0 382.302 2.769 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CN(C(=O)Nc2ccn(-c3ccc(Cl)cc3Cl)n2)CCO1 ZINC000667316071 565581367 /nfs/dbraw/zinc/58/13/67/565581367.db2.gz UGLCLSNUHRZQHS-QMTHXVAHSA-N 1 0 384.267 2.759 20 0 GFADRO CC[C@@H]1CN(C(=O)Nc2cc(Br)cnc2-n2cccn2)CC[C@H]1[NH3+] ZINC000667374780 565583326 /nfs/dbraw/zinc/58/33/26/565583326.db2.gz PGRQWNJCFBRTBX-DGCLKSJQSA-N 1 0 393.289 2.621 20 0 GFADRO CCN(C(=O)c1ccc(F)c(I)c1)[C@H]1CC[N@H+](CC)C1 ZINC000598038261 565589299 /nfs/dbraw/zinc/58/92/99/565589299.db2.gz BPFXIGHROGHFPZ-LBPRGKRZSA-N 1 0 390.240 2.987 20 0 GFADRO [NH3+]C1CCC(OCC(=O)Nc2cnn(-c3ncc(Cl)cc3Cl)c2)CC1 ZINC000646253510 565592791 /nfs/dbraw/zinc/59/27/91/565592791.db2.gz TUZNMMSWWUPCOT-UHFFFAOYSA-N 1 0 384.267 2.799 20 0 GFADRO O=C(Nc1ccc2nccnc2c1Br)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000667590707 565595328 /nfs/dbraw/zinc/59/53/28/565595328.db2.gz OCHGYGNYCCXXNO-ZWNOBZJWSA-N 1 0 376.258 2.608 20 0 GFADRO CC[C@H](C(=O)N[C@@H](C(=O)OC)c1ccccc1Br)[NH+](CC)CC ZINC000598181590 565597941 /nfs/dbraw/zinc/59/79/41/565597941.db2.gz ALQUZQNBRXUQSG-HUUCEWRRSA-N 1 0 385.302 2.900 20 0 GFADRO CCCN(CC(F)(F)F)C(=O)CN1CC[NH+](CCc2cccs2)CC1 ZINC000625102694 565598582 /nfs/dbraw/zinc/59/85/82/565598582.db2.gz LOPGMVGZCRBRGN-UHFFFAOYSA-N 1 0 377.476 2.709 20 0 GFADRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(Cc2ccncc2Br)CC1 ZINC000625118418 565599721 /nfs/dbraw/zinc/59/97/21/565599721.db2.gz KAOPBCSKUDDNPQ-HOTGVXAUSA-N 1 0 381.362 2.835 20 0 GFADRO CC(=O)NCc1ccc(-c2nc(NC(=O)[C@H]3CC[NH2+][C@@H]3C)sc2C)s1 ZINC000646420990 565602065 /nfs/dbraw/zinc/60/20/65/565602065.db2.gz NPWOQEWDLXDUMD-RNCFNFMXSA-N 1 0 378.523 2.753 20 0 GFADRO Cc1cc(N2CC[C@H](NC(=O)CC[C@@H]3CCC[NH2+]3)C2=O)ccc1Br ZINC000646516734 565605467 /nfs/dbraw/zinc/60/54/67/565605467.db2.gz IBKLVVJPSBMASA-BBRMVZONSA-N 1 0 394.313 2.511 20 0 GFADRO O=C(Cc1cc(F)ccc1Br)NCCC[NH2+]Cc1cccnc1 ZINC000646615556 565611442 /nfs/dbraw/zinc/61/14/42/565611442.db2.gz WVMRQGPGBRAUDV-UHFFFAOYSA-N 1 0 380.261 2.822 20 0 GFADRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)c2cc3cc(Cl)ccc3s2)C1 ZINC000667939751 565614853 /nfs/dbraw/zinc/61/48/53/565614853.db2.gz POYFMDFVCHMSLX-LBPRGKRZSA-N 1 0 379.913 2.872 20 0 GFADRO C[C@@H]1CCCN(C(=O)[C@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)[C@H]1C[NH3+] ZINC000646771383 565617389 /nfs/dbraw/zinc/61/73/89/565617389.db2.gz SKYPNEYVHDIUGD-KFNAQCHYSA-N 1 0 384.307 2.932 20 0 GFADRO CCCN(C(=O)C(=O)Nc1ccc(Br)c(C)c1)[C@H]1CC[N@H+](C)C1 ZINC000646768141 565617422 /nfs/dbraw/zinc/61/74/22/565617422.db2.gz MLFFDPUYJQMWPT-AWEZNQCLSA-N 1 0 382.302 2.639 20 0 GFADRO Cn1cc(C(C)(C)[NH2+][C@@H]2CCc3cc(Br)ccc3NC2=O)cn1 ZINC000625326582 565618619 /nfs/dbraw/zinc/61/86/19/565618619.db2.gz RLQSNOGWEUFAKP-OAHLLOKOSA-N 1 0 377.286 2.961 20 0 GFADRO CN(Cc1ccncc1Br)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000625342545 565621123 /nfs/dbraw/zinc/62/11/23/565621123.db2.gz HZFRMWCCGXRBJN-IBGZPJMESA-N 1 0 390.325 2.913 20 0 GFADRO CC[C@@H]1CN(C(=O)c2scc(C)c2I)C[C@H](C)[NH2+]1 ZINC000598532415 565623810 /nfs/dbraw/zinc/62/38/10/565623810.db2.gz XHJSLLFVYMKVRJ-VHSXEESVSA-N 1 0 378.279 2.874 20 0 GFADRO O=c1[nH]ccc2c1C[N@H+]([C@H]1CCc3cc(Br)ccc3NC1=O)CC2 ZINC000625372595 565624476 /nfs/dbraw/zinc/62/44/76/565624476.db2.gz FXEWSKVMOSNWLN-INIZCTEOSA-N 1 0 388.265 2.861 20 0 GFADRO CCCN(C(=O)C(=O)NCCc1ccc(Cl)cc1Cl)[C@@H]1CC[N@H+](C)C1 ZINC000646970975 565629756 /nfs/dbraw/zinc/62/97/56/565629756.db2.gz ZIQIGSUOJFYXHN-OAHLLOKOSA-N 1 0 386.323 2.595 20 0 GFADRO C[N@@H+]1CCCC[C@H](CNS(=O)(=O)Cc2ccc(Br)cc2)C1 ZINC000625423278 565629889 /nfs/dbraw/zinc/62/98/89/565629889.db2.gz WNBNYDKFFVGRGQ-CQSZACIVSA-N 1 0 375.332 2.600 20 0 GFADRO CCC[C@@H]1C[NH2+]CCN1C(=O)c1cc(=O)[nH]c2ccc(Br)cc21 ZINC000646961221 565630321 /nfs/dbraw/zinc/63/03/21/565630321.db2.gz RGDZIYHBRWOCJN-GFCCVEGCSA-N 1 0 378.270 2.917 20 0 GFADRO CC[C@@H]1CN(C(=O)c2ncc(Br)cc2Br)CC[C@@H]1[NH3+] ZINC000647008524 565632105 /nfs/dbraw/zinc/63/21/05/565632105.db2.gz PYBIGABRNYZCCV-KCJUWKMLSA-N 1 0 391.107 2.806 20 0 GFADRO CC[C@H]1CN(C(=O)CNC(=O)c2sc3ccccc3c2Cl)CC[C@H]1[NH3+] ZINC000647006542 565632430 /nfs/dbraw/zinc/63/24/30/565632430.db2.gz RSFRBPCZOXSYDN-WCQYABFASA-N 1 0 379.913 2.870 20 0 GFADRO COC(=O)C1CC[NH+](CCCNC(=O)c2cscc2C(F)(F)F)CC1 ZINC000598661963 565632512 /nfs/dbraw/zinc/63/25/12/565632512.db2.gz PSDVRJSJTVYVHV-UHFFFAOYSA-N 1 0 378.416 2.772 20 0 GFADRO CC[C@@H]1CN(C(=O)c2cnn(-c3cccc(Br)c3)c2)CC[C@@H]1[NH3+] ZINC000647011681 565632478 /nfs/dbraw/zinc/63/24/78/565632478.db2.gz IUSHOVPIHYGNQQ-WBMJQRKESA-N 1 0 377.286 2.834 20 0 GFADRO COC(=O)[C@H](NC(=O)CC[C@@H]1CCC[NH2+]C1)c1ccccc1Br ZINC000598669241 565633410 /nfs/dbraw/zinc/63/34/10/565633410.db2.gz XVQXPKHTNMHBDS-BLLLJJGKSA-N 1 0 383.286 2.559 20 0 GFADRO CC[C@H]1CN(C(=O)c2cn(-c3ccc(Br)cc3)cn2)CC[C@H]1[NH3+] ZINC000647013981 565633452 /nfs/dbraw/zinc/63/34/52/565633452.db2.gz RQBAVFLSXUGBRB-SWLSCSKDSA-N 1 0 377.286 2.834 20 0 GFADRO [NH3+]CCCN(CC1CCCC1)C(=O)CNC(=O)c1ccc(Br)cc1 ZINC000647043468 565634170 /nfs/dbraw/zinc/63/41/70/565634170.db2.gz FOOHREIKJSJNQM-UHFFFAOYSA-N 1 0 396.329 2.547 20 0 GFADRO C[C@H]([NH3+])[C@H](C)NC(=O)c1ccc(NC(=O)c2ccc(Br)o2)cc1 ZINC000647068054 565635536 /nfs/dbraw/zinc/63/55/36/565635536.db2.gz OBYSDKTTWAYIOH-UWVGGRQHSA-N 1 0 380.242 2.760 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCc2ccc(Br)cc2F)CC1 ZINC000647077052 565635573 /nfs/dbraw/zinc/63/55/73/565635573.db2.gz XFJXLMWJWSEXPX-AEFFLSMTSA-N 1 0 399.304 2.876 20 0 GFADRO O=C(NCc1n[nH]cc1Br)[C@@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000668264996 565637237 /nfs/dbraw/zinc/63/72/37/565637237.db2.gz UIJCEDYHQPYYDY-OAHLLOKOSA-N 1 0 391.313 2.743 20 0 GFADRO C[C@@H](C(=O)Nc1ccc(Br)cc1)N1CCC([NH+]2CCOCC2)CC1 ZINC000625550658 565637478 /nfs/dbraw/zinc/63/74/78/565637478.db2.gz YAYDJFXAWYLODH-AWEZNQCLSA-N 1 0 396.329 2.573 20 0 GFADRO CC[NH+]1CCN([C@H](C)CNC(=O)c2cc(C)cc(Br)c2F)CC1 ZINC000625547617 565638138 /nfs/dbraw/zinc/63/81/38/565638138.db2.gz UDZULCLWUQMNQU-CYBMUJFWSA-N 1 0 386.309 2.652 20 0 GFADRO O=C1[C@@H](c2nc([C@H]3CCC[NH2+]3)no2)CCN1c1cccc(Br)c1 ZINC000647152389 565641722 /nfs/dbraw/zinc/64/17/22/565641722.db2.gz DDZYVMIEMXRSPM-CHWSQXEVSA-N 1 0 377.242 2.777 20 0 GFADRO CC1CCN(S(=O)(=O)c2ccc(-c3nc([C@@H]4CCC[NH2+]4)no3)s2)CC1 ZINC000647150291 565642075 /nfs/dbraw/zinc/64/20/75/565642075.db2.gz CCVYYPMYEFSCKG-LBPRGKRZSA-N 1 0 382.511 2.643 20 0 GFADRO COC(=O)[C@H]1CN(C(=O)[C@H](C)Cc2ccc(Cl)cc2Cl)CC[N@H+](C)C1 ZINC000598793251 565642372 /nfs/dbraw/zinc/64/23/72/565642372.db2.gz YMJIUIOWINHFNJ-TZMCWYRMSA-N 1 0 387.307 2.735 20 0 GFADRO CCN(C(=O)C(=O)N[C@H](C)c1cc(F)c(Cl)cc1Cl)[C@@H]1CC[N@H+](C)C1 ZINC000668370532 565644830 /nfs/dbraw/zinc/64/48/30/565644830.db2.gz ZIOSFGIDTSKLQW-GHMZBOCLSA-N 1 0 390.286 2.862 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+]C[C@H](c2ccccc2)C(F)(F)F)c(F)c1 ZINC000647203482 565645691 /nfs/dbraw/zinc/64/56/91/565645691.db2.gz FKWATDIYAHIPFF-CQSZACIVSA-N 1 0 376.375 2.909 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+]CCCc1ncn(C)n1 ZINC000647231314 565646838 /nfs/dbraw/zinc/64/68/38/565646838.db2.gz RSWLJLLINMZLHX-UHFFFAOYSA-N 1 0 389.301 2.794 20 0 GFADRO Cn1cnc(CCC[NH2+]Cc2nc(-c3ccc(Br)cc3)c[nH]2)n1 ZINC000647231328 565647513 /nfs/dbraw/zinc/64/75/13/565647513.db2.gz SIPFRBUNCKBCQI-UHFFFAOYSA-N 1 0 375.274 2.690 20 0 GFADRO COc1cc(Br)c(C[NH2+]CC(C)(C)[C@@]2(O)CCOC2)cc1OC ZINC000647246096 565648344 /nfs/dbraw/zinc/64/83/44/565648344.db2.gz WHBSHQBWFLBCBC-QGZVFWFLSA-N 1 0 388.302 2.734 20 0 GFADRO CC(C)[C@H]1CN(S(=O)(=O)c2cc(Br)ccc2Cl)CC[NH2+]1 ZINC000647256342 565649528 /nfs/dbraw/zinc/64/95/28/565649528.db2.gz NYJVZPFRMDJSHN-GFCCVEGCSA-N 1 0 381.723 2.721 20 0 GFADRO O=C(NCc1ccc(Cl)c(Cl)c1)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000668538147 565652197 /nfs/dbraw/zinc/65/21/97/565652197.db2.gz VDLAGTBAYCPLGV-UHFFFAOYSA-N 1 0 384.307 2.600 20 0 GFADRO [NH3+]CC[C@H]1CCCN(S(=O)(=O)Cc2ccc(Br)cc2Cl)C1 ZINC000647287437 565653765 /nfs/dbraw/zinc/65/37/65/565653765.db2.gz FRBZCPGNOCTBEL-LLVKDONJSA-N 1 0 395.750 2.993 20 0 GFADRO O=S(=O)(c1cnccc1C(F)(F)F)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647307457 565655110 /nfs/dbraw/zinc/65/51/10/565655110.db2.gz AOQNMYWTRCWTKQ-OLZOCXBDSA-N 1 0 377.432 2.501 20 0 GFADRO C[NH2+]C[C@@H]1C[C@H](F)CN1S(=O)(=O)c1cc(Cl)ccc1OCC1CCC1 ZINC000647293740 565655602 /nfs/dbraw/zinc/65/56/02/565655602.db2.gz ZOYAOVAYPMFCTP-GJZGRUSLSA-N 1 0 390.908 2.839 20 0 GFADRO CCc1nc2c(s1)[C@@H]([NH2+]C[C@H]1CS(=O)(=O)c3ccccc3O1)CCC2 ZINC000647314871 565656206 /nfs/dbraw/zinc/65/62/06/565656206.db2.gz SWVJLLKJFJWXTN-STQMWFEESA-N 1 0 378.519 2.907 20 0 GFADRO C[C@@H]([NH2+]CC[C@H]1CSc2ccccc2O1)c1ccc(S(N)(=O)=O)cc1 ZINC000647320836 565656265 /nfs/dbraw/zinc/65/62/65/565656265.db2.gz HIABCCAOBQKJAR-HIFRSBDPSA-N 1 0 378.519 2.928 20 0 GFADRO Cc1cc(Br)cc(C)c1S(=O)(=O)NC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000647316809 565657233 /nfs/dbraw/zinc/65/72/33/565657233.db2.gz VRWULBIMUBIWFX-GXTWGEPZSA-N 1 0 375.332 2.862 20 0 GFADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@@H]1CCO[C@@H](c2cccnc2)C1 ZINC000647338723 565658077 /nfs/dbraw/zinc/65/80/77/565658077.db2.gz XDLVDWVLVIWNME-KBRIMQKVSA-N 1 0 392.297 2.904 20 0 GFADRO O=C(C[NH2+][C@@]1(CO)CCc2cc(Br)ccc2C1)Nc1ccccc1 ZINC000625795454 565660930 /nfs/dbraw/zinc/66/09/30/565660930.db2.gz WHYKKIFTSXCZBQ-IBGZPJMESA-N 1 0 389.293 2.897 20 0 GFADRO [NH3+]C1(CNC(=O)Nc2cc(Cl)ccc2N2CCSCC2)CCOCC1 ZINC000625855225 565662337 /nfs/dbraw/zinc/66/23/37/565662337.db2.gz KSNWEIXVEWTYCW-UHFFFAOYSA-N 1 0 384.933 2.523 20 0 GFADRO CC[C@H](C)C[C@@H](CO)[NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000647525058 565662888 /nfs/dbraw/zinc/66/28/88/565662888.db2.gz UZKSXMNNFRLCFJ-TUKIKUTGSA-N 1 0 378.282 2.715 20 0 GFADRO C[NH+](C)CCC[C@H]1CN(Cc2cn3ccc(Br)cc3n2)CCO1 ZINC000668784825 565665876 /nfs/dbraw/zinc/66/58/76/565665876.db2.gz JBNCYENFNWJYSD-INIZCTEOSA-N 1 0 381.318 2.639 20 0 GFADRO COC(=O)CCCC[NH+]1CCC(C(=O)Nc2ccc(Br)cn2)CC1 ZINC000599315636 565669562 /nfs/dbraw/zinc/66/95/62/565669562.db2.gz OPEMPUZDKLELQN-UHFFFAOYSA-N 1 0 398.301 2.838 20 0 GFADRO COC(=O)CCCC[N@@H+]1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000599315759 565670248 /nfs/dbraw/zinc/67/02/48/565670248.db2.gz STCBDDBDURUTIK-ZDUSSCGKSA-N 1 0 398.301 2.838 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)c(C)c1C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000647732366 565673074 /nfs/dbraw/zinc/67/30/74/565673074.db2.gz DKIVROKNBNTZGC-ZDUSSCGKSA-N 1 0 377.286 2.672 20 0 GFADRO Cc1cc(C(=O)N[C@@H](CO)C[NH+]2CCCC2)cc(Cl)c1Br ZINC000647711685 565673656 /nfs/dbraw/zinc/67/36/56/565673656.db2.gz AJNLPPKKUKXPDC-GFCCVEGCSA-N 1 0 375.694 2.597 20 0 GFADRO CN(CCN1CC[NH2+]CC1)C(=O)CSc1cccc2cccc(Cl)c21 ZINC000647769991 565675500 /nfs/dbraw/zinc/67/55/00/565675500.db2.gz SMXVTDHGYVTLDH-UHFFFAOYSA-N 1 0 377.941 2.949 20 0 GFADRO C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)c1nn(-c2ccc(F)cc2)cc1Br ZINC000647832571 565679279 /nfs/dbraw/zinc/67/92/79/565679279.db2.gz BIAYKTJHKKFDBY-XHDPSFHLSA-N 1 0 395.276 2.939 20 0 GFADRO CNS(=O)(=O)C[C@H]1CCC[N@H+](Cc2cc(Br)ccc2C)C1 ZINC000626166211 565679397 /nfs/dbraw/zinc/67/93/97/565679397.db2.gz POFRSSSHYTVHHE-ZDUSSCGKSA-N 1 0 375.332 2.519 20 0 GFADRO CC(=O)NC[C@@H]1CCCC[N@@H+]1C[C@H](O)COc1cc(Cl)ccc1Cl ZINC000626154169 565679439 /nfs/dbraw/zinc/67/94/39/565679439.db2.gz IWPZHTWMYVNJBK-GJZGRUSLSA-N 1 0 375.296 2.724 20 0 GFADRO CNS(=O)(=O)C[C@H]1CCC[N@@H+]([C@@H](C)c2ccccc2Br)C1 ZINC000626169960 565681122 /nfs/dbraw/zinc/68/11/22/565681122.db2.gz WEHZJXHKMVXMAX-STQMWFEESA-N 1 0 375.332 2.771 20 0 GFADRO C[C@H]1[C@@H]([NH+](C)C)CCN1S(=O)(=O)c1c(Cl)cc(F)cc1Br ZINC000647889009 565681307 /nfs/dbraw/zinc/68/13/07/565681307.db2.gz TWPQXFUJCPNXFK-UFBFGSQYSA-N 1 0 399.713 2.955 20 0 GFADRO CNS(=O)(=O)C[C@@H]1CCC[N@H+](CCCc2ccc(C(F)(F)F)cc2)C1 ZINC000626167781 565681361 /nfs/dbraw/zinc/68/13/61/565681361.db2.gz CLNMLQTWRZGQLZ-OAHLLOKOSA-N 1 0 378.460 2.899 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000669445207 565689221 /nfs/dbraw/zinc/68/92/21/565689221.db2.gz FIWFWGJHUXLQBP-CQSZACIVSA-N 1 0 397.317 2.527 20 0 GFADRO COC(=O)c1occc1C[NH2+][C@]1(CO)CCc2cc(Br)ccc2C1 ZINC000599572646 565689612 /nfs/dbraw/zinc/68/96/12/565689612.db2.gz DJZQNUXZWHHOCO-GOSISDBHSA-N 1 0 394.265 2.838 20 0 GFADRO O=C(NCCCc1ccc(Br)cc1F)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000669487274 565690566 /nfs/dbraw/zinc/69/05/66/565690566.db2.gz QCWSJMUXUHICAV-CZUORRHYSA-N 1 0 384.293 2.914 20 0 GFADRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)Nc1cc(F)c(I)c(F)c1 ZINC000599597691 565691122 /nfs/dbraw/zinc/69/11/22/565691122.db2.gz LCASZDMYMNOAGY-WDEREUQCSA-N 1 0 395.191 2.831 20 0 GFADRO CC[C@@H]1CN(C(=O)NC[C@H](C)Oc2cccc(Br)c2)CC[C@@H]1[NH3+] ZINC000669505904 565691593 /nfs/dbraw/zinc/69/15/93/565691593.db2.gz QXWLNMLPWSUJLD-ZENOOKHLSA-N 1 0 384.318 2.985 20 0 GFADRO C[C@H]([NH3+])CNC(=O)NCCOc1c(Cl)cc(Br)cc1Cl ZINC000669552994 565692425 /nfs/dbraw/zinc/69/24/25/565692425.db2.gz XZHGFJRMANGPAX-ZETCQYMHSA-N 1 0 385.089 2.781 20 0 GFADRO COc1ccc(NC(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)c(I)c1 ZINC000599607528 565692480 /nfs/dbraw/zinc/69/24/80/565692480.db2.gz ZHFQCLSDNFLMBR-ZJUUUORDSA-N 1 0 389.237 2.562 20 0 GFADRO O=C([C@@H]1C[NH2+]CCO1)N(Cc1ccc(Cl)c(Cl)c1)Cc1ccccn1 ZINC000648151627 565692689 /nfs/dbraw/zinc/69/26/89/565692689.db2.gz YLZVPOWQKFFSTK-KRWDZBQOSA-N 1 0 380.275 2.906 20 0 GFADRO O=C(C[C@@H]1Sc2ccc(Cl)cc2NC1=O)N[C@H]1CC[NH2+]C12CCCC2 ZINC000648207990 565693359 /nfs/dbraw/zinc/69/33/59/565693359.db2.gz SMFBDXDCNVDHBH-GJZGRUSLSA-N 1 0 379.913 2.934 20 0 GFADRO C[C@H](CC(=O)N1CCc2ccccc2[C@H]1C[NH3+])n1cc(Br)cn1 ZINC000648199201 565693367 /nfs/dbraw/zinc/69/33/67/565693367.db2.gz CYAYNHWEHNAPBJ-MLGOLLRUSA-N 1 0 377.286 2.681 20 0 GFADRO O=C(Cc1cc2c(cc1Br)OCCO2)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000648186471 565693450 /nfs/dbraw/zinc/69/34/50/565693450.db2.gz WBWCBJIXPKADEU-ZDUSSCGKSA-N 1 0 395.297 2.554 20 0 GFADRO CCn1c(CNC(=O)N2CCC(C)([NH3+])CC2)nc2cc(Br)ccc21 ZINC000669569901 565693608 /nfs/dbraw/zinc/69/36/08/565693608.db2.gz WSEMXCRQPYTPIK-UHFFFAOYSA-N 1 0 394.317 2.842 20 0 GFADRO O=C(N[C@H](c1cncc(Br)c1)C1CC1)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000669582795 565694185 /nfs/dbraw/zinc/69/41/85/565694185.db2.gz USKRDAHQDLNLLE-RLCCDNCMSA-N 1 0 379.302 2.689 20 0 GFADRO CC[C@@H]1CN(C(=O)N[C@@H]2COc3cc(F)c(Br)cc32)CC[C@H]1[NH3+] ZINC000669581118 565694310 /nfs/dbraw/zinc/69/43/10/565694310.db2.gz RXQNZHAYMHIRCW-OWYVNGRQSA-N 1 0 386.265 2.791 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CN(C(=O)N[C@@H]2c3cccc(Br)c3CC2(C)C)CCO1 ZINC000669590345 565694364 /nfs/dbraw/zinc/69/43/64/565694364.db2.gz MXSKEDKFVQWPSA-KNXALSJPSA-N 1 0 396.329 2.830 20 0 GFADRO C[C@H]1C[C@H](c2ccc(Br)cc2)C[N@@H+]1CC(=O)NC(=O)NC1CC1 ZINC000599653908 565694523 /nfs/dbraw/zinc/69/45/23/565694523.db2.gz XEOREQLTFVXSRW-AAEUAGOBSA-N 1 0 380.286 2.615 20 0 GFADRO COC(=O)CN(C)C(=O)CC[N@@H+]1CCC[C@@H]1c1ccc(Br)cc1C ZINC000599636065 565695409 /nfs/dbraw/zinc/69/54/09/565695409.db2.gz MPXFUTWCZURIJC-MRXNPFEDSA-N 1 0 397.313 2.916 20 0 GFADRO CS(=O)(=O)[C@@H]1CCCN(Cc2cnn(Cc3ccccc3Cl)c2)CC1 ZINC000669716934 565700104 /nfs/dbraw/zinc/70/01/04/565700104.db2.gz ZBMRTGSQQSJZNN-QGZVFWFLSA-N 1 0 381.929 2.984 20 0 GFADRO O=C(CSCc1ccc(Cl)cc1Cl)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000599937311 565706933 /nfs/dbraw/zinc/70/69/33/565706933.db2.gz HIFCFNDHBCGAHZ-CABCVRRESA-N 1 0 389.348 2.894 20 0 GFADRO C[C@H]([NH2+]CC(=O)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1)c1ccsc1 ZINC000669938048 565707857 /nfs/dbraw/zinc/70/78/57/565707857.db2.gz BUYGKRDYJMUGAX-DZGCQCFKSA-N 1 0 398.575 2.676 20 0 GFADRO CC(C)[C@H]1C[NH2+]CCN1C(=O)C(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000626844515 565713444 /nfs/dbraw/zinc/71/34/44/565713444.db2.gz LWJNYKIODKOSPB-CYBMUJFWSA-N 1 0 377.794 2.754 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)Nc2cc(Cl)ccc2Cl)CC[C@H]1C(F)(F)F ZINC000626861300 565714571 /nfs/dbraw/zinc/71/45/71/565714571.db2.gz NISBTWYQWDXMMD-PSASIEDQSA-N 1 0 398.212 2.918 20 0 GFADRO COc1cc(C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)ccc1Br ZINC000626916177 565715195 /nfs/dbraw/zinc/71/51/95/565715195.db2.gz LKUARZNIAZVQRN-AWEZNQCLSA-N 1 0 397.313 2.642 20 0 GFADRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@H](C)c1cc2c(cc1Br)OCCO2 ZINC000626943591 565716043 /nfs/dbraw/zinc/71/60/43/565716043.db2.gz HAYZJRZSAPWQGK-DDTOSNHZSA-N 1 0 398.301 2.721 20 0 GFADRO [NH3+]CCCOCCNC(=O)N[C@H]1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000626938804 565716082 /nfs/dbraw/zinc/71/60/82/565716082.db2.gz WNEIWLFULSXPJQ-URLYPYJESA-N 1 0 379.345 2.561 20 0 GFADRO C[NH+](C)C[C@@H](NC(=O)CCNC(=O)c1ccsc1)c1ccc(Cl)cc1 ZINC000670172569 565717267 /nfs/dbraw/zinc/71/72/67/565717267.db2.gz VLLMDVXGFQEGKB-MRXNPFEDSA-N 1 0 379.913 2.941 20 0 GFADRO CN(CCOCC[NH3+])C(=O)NCC1(c2ccc(Br)cc2)CCCC1 ZINC000626983562 565717657 /nfs/dbraw/zinc/71/76/57/565717657.db2.gz PHDPFHUHJSWMNU-UHFFFAOYSA-N 1 0 398.345 2.878 20 0 GFADRO C[NH+](C)C1CCN(C(=O)C(=O)Nc2cccc(Br)c2Cl)CC1 ZINC000670196200 565718184 /nfs/dbraw/zinc/71/81/84/565718184.db2.gz WTDIFXOUCBXNJV-UHFFFAOYSA-N 1 0 388.693 2.594 20 0 GFADRO CC[C@@H](Cc1ccccc1Br)NC(=O)N(C)CCOCC[NH2+]C ZINC000627000872 565718873 /nfs/dbraw/zinc/71/88/73/565718873.db2.gz VORAICOEWFKDSU-HNNXBMFYSA-N 1 0 386.334 2.648 20 0 GFADRO C[NH2+]CCOCCNC(=O)N[C@@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000627016561 565719636 /nfs/dbraw/zinc/71/96/36/565719636.db2.gz MVFHIQYWUSQAHS-OAHLLOKOSA-N 1 0 388.281 2.575 20 0 GFADRO Cc1cc(Br)ccc1[C@H]1CCCN1C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000627102071 565721937 /nfs/dbraw/zinc/72/19/37/565721937.db2.gz GPIKZSGVIPVBEJ-GOEBONIOSA-N 1 0 382.302 2.592 20 0 GFADRO Cc1cc(Br)ccc1[C@@H]1CCCN1C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000627101442 565721967 /nfs/dbraw/zinc/72/19/67/565721967.db2.gz BGTNQBZPXCBXCL-WBVHZDCISA-N 1 0 396.329 2.983 20 0 GFADRO COC[C@]1(CNC(=O)NCC/C=C/c2ccc(Br)cc2)CCC[NH2+]1 ZINC000627092028 565721973 /nfs/dbraw/zinc/72/19/73/565721973.db2.gz IMDUBDOOAQJOAK-PSQUURQMSA-N 1 0 396.329 2.920 20 0 GFADRO O=C(N[C@@H]1CC[NH2+]C12CCC2)N1CCOc2cc(Br)ccc2C1 ZINC000627126316 565722234 /nfs/dbraw/zinc/72/22/34/565722234.db2.gz DKWLIYIHWFGABY-OAHLLOKOSA-N 1 0 380.286 2.638 20 0 GFADRO CN(CC1(c2ccc(Br)cc2)CC1)C(=O)NCC1([NH3+])CCOCC1 ZINC000627163719 565724025 /nfs/dbraw/zinc/72/40/25/565724025.db2.gz WPYGIJXTNSGZAE-UHFFFAOYSA-N 1 0 396.329 2.630 20 0 GFADRO C[C@@H]1CC[C@H](NC(=O)N[C@H](CO)c2ccc(Cl)cc2C(F)(F)F)C[NH2+]1 ZINC000627201803 565725855 /nfs/dbraw/zinc/72/58/55/565725855.db2.gz DOBHSSICKVFNLN-OLUVUFQESA-N 1 0 379.810 2.832 20 0 GFADRO Cc1cc(Br)ccc1[C@@H]1CCCN1C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627190839 565725984 /nfs/dbraw/zinc/72/59/84/565725984.db2.gz DAGZNMSFNAYPFT-ZBFHGGJFSA-N 1 0 382.302 2.592 20 0 GFADRO O=C(CCCc1ccc(Br)s1)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000627254176 565727914 /nfs/dbraw/zinc/72/79/14/565727914.db2.gz PJLBSSISYFSVJP-CHWSQXEVSA-N 1 0 387.343 2.501 20 0 GFADRO O=C(COc1cc(Cl)c(Cl)cc1Cl)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000627252198 565728428 /nfs/dbraw/zinc/72/84/28/565728428.db2.gz NYYGICLAGPJVKE-GHMZBOCLSA-N 1 0 393.698 2.693 20 0 GFADRO O=C(COc1cc(Cl)c(Cl)cc1Cl)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000627252199 565728762 /nfs/dbraw/zinc/72/87/62/565728762.db2.gz NYYGICLAGPJVKE-MNOVXSKESA-N 1 0 393.698 2.693 20 0 GFADRO O=C(c1cc(F)c(Br)cc1Cl)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000627265516 565729389 /nfs/dbraw/zinc/72/93/89/565729389.db2.gz JVKFLNGRBUXQBH-UWVGGRQHSA-N 1 0 391.668 2.523 20 0 GFADRO CC(C)Oc1cc(C(=O)N2CC[C@H]([N@@H+]3CC[C@H](O)C3)C2)ccc1Br ZINC000627270306 565729439 /nfs/dbraw/zinc/72/94/39/565729439.db2.gz FVWBTCYPUUKQFE-GJZGRUSLSA-N 1 0 397.313 2.517 20 0 GFADRO Cn1nc2cc(Br)ccc2c1C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000648793112 565729894 /nfs/dbraw/zinc/72/98/94/565729894.db2.gz KUBMREPZSMZGAH-ZDUSSCGKSA-N 1 0 391.313 2.894 20 0 GFADRO C[C@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000627444738 565736215 /nfs/dbraw/zinc/73/62/15/565736215.db2.gz VANNIRPZWSXXER-IAQYHMDHSA-N 1 0 384.307 2.914 20 0 GFADRO Cc1cc(C)c(C(=O)N2CC(C[NH+]3CCN(C)CC3)C2)c(C)c1Br ZINC000627518427 565739198 /nfs/dbraw/zinc/73/91/98/565739198.db2.gz IQVRNNMMKPAIQE-UHFFFAOYSA-N 1 0 394.357 2.694 20 0 GFADRO Cc1cc(Br)c(F)c(C(=O)N2CCOC[C@H]2[C@H]2CCC[N@H+]2C)c1 ZINC000627518781 565739433 /nfs/dbraw/zinc/73/94/33/565739433.db2.gz UKXIBHMUOGGJIF-CABCVRRESA-N 1 0 385.277 2.832 20 0 GFADRO Cc1cc(C)c(C(=O)N[C@@H]2CCC[N@H+](CCCO)C2)c(C)c1Br ZINC000627574396 565741602 /nfs/dbraw/zinc/74/16/02/565741602.db2.gz DQMWSKZGCKMHQF-OAHLLOKOSA-N 1 0 383.330 2.951 20 0 GFADRO C[C@H](CC(=O)N1CN(CC[NH+](C)C)C(=O)[C@H]1C)c1ccc(Br)cc1 ZINC000649073154 565746388 /nfs/dbraw/zinc/74/63/88/565746388.db2.gz PPWAGMRAVSLKCR-ZIAGYGMSSA-N 1 0 396.329 2.521 20 0 GFADRO O=S(=O)(Cc1ccc(OC(F)(F)F)cc1)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000600751235 565748121 /nfs/dbraw/zinc/74/81/21/565748121.db2.gz CHPMFXHGBMYJTE-GJZGRUSLSA-N 1 0 378.416 2.631 20 0 GFADRO COCC(=O)NC1CC[NH+](CCCC(=O)c2ccc(Br)cc2)CC1 ZINC000649246954 565755936 /nfs/dbraw/zinc/75/59/36/565755936.db2.gz HEVAVLQDEAUMRY-UHFFFAOYSA-N 1 0 397.313 2.639 20 0 GFADRO COC(=O)[C@@H]1CCC[C@H](n2cc([C@H]([NH3+])c3ccc(Br)cc3)nn2)C1 ZINC000600979660 565761208 /nfs/dbraw/zinc/76/12/08/565761208.db2.gz KSECZQQLPMDJOV-IVMMDQJWSA-N 1 0 393.285 2.993 20 0 GFADRO Cc1cccc(CC(=O)N2CCOC3(CC[NH+](C)CC3)C2)c1Br ZINC000627966008 565765217 /nfs/dbraw/zinc/76/52/17/565765217.db2.gz KVZMPVUYVMSJMH-UHFFFAOYSA-N 1 0 381.314 2.623 20 0 GFADRO C[C@@H]([NH2+]Cc1ccc(Cl)c(S(N)(=O)=O)c1)c1ccc([S@](C)=O)cc1 ZINC000601113962 565766894 /nfs/dbraw/zinc/76/68/94/565766894.db2.gz KPBBSNXLJXHUNA-BGJPBQGDSA-N 1 0 386.926 2.576 20 0 GFADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)NCc1c(C)cc(Br)cc1C ZINC000601290413 565774741 /nfs/dbraw/zinc/77/47/41/565774741.db2.gz MIFNAONDUHNYQO-INIZCTEOSA-N 1 0 398.345 2.976 20 0 GFADRO COCC[N@@H+]1CCN(C[C@@H](O)COc2cc(Cl)ccc2Cl)C(C)(C)C1 ZINC000649848361 565781170 /nfs/dbraw/zinc/78/11/70/565781170.db2.gz NGDCVGMEYWZGIR-OAHLLOKOSA-N 1 0 391.339 2.776 20 0 GFADRO O=C(C[NH+]1CCC2(CCC2)CC1)NCC(=O)Nc1ccccc1Br ZINC000671728007 565783558 /nfs/dbraw/zinc/78/35/58/565783558.db2.gz AMOVEEGYUZHGDJ-UHFFFAOYSA-N 1 0 394.313 2.770 20 0 GFADRO C[C@@H](C[NH2+]C[C@H](n1cccn1)C(F)(F)F)c1ccc(S(C)(=O)=O)cc1 ZINC000628381153 565787755 /nfs/dbraw/zinc/78/77/55/565787755.db2.gz SNVLVOURPMYCIB-WFASDCNBSA-N 1 0 375.416 2.783 20 0 GFADRO O=C(c1cc(F)ccc1I)N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000601555375 565791048 /nfs/dbraw/zinc/79/10/48/565791048.db2.gz FEGQNNMSKHIFFU-QMTHXVAHSA-N 1 0 388.224 2.644 20 0 GFADRO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)Nc1cc(I)ccc1Cl ZINC000601563630 565792535 /nfs/dbraw/zinc/79/25/35/565792535.db2.gz XMJBFEYXHYJPMO-VXNVDRBHSA-N 1 0 379.629 2.898 20 0 GFADRO CCN1CCO[C@@H](C(=O)Nc2ccc(Cl)cc2SCCC(=O)OC)C1 ZINC000601706337 565799697 /nfs/dbraw/zinc/79/96/97/565799697.db2.gz QRJOBFDWUGVDKL-CQSZACIVSA-N 1 0 386.901 2.654 20 0 GFADRO C[N@@H+]1CCCC[C@H](CNC(=O)Cc2cc3c(cc2Br)OCCO3)C1 ZINC000628741884 565805170 /nfs/dbraw/zinc/80/51/70/565805170.db2.gz PPNYWKGYQLDQEM-CYBMUJFWSA-N 1 0 397.313 2.611 20 0 GFADRO C[NH+](C)C[C@@H](NC(=O)CCn1ccccc1=O)c1ccc(Cl)c(Cl)c1 ZINC000628968458 565817732 /nfs/dbraw/zinc/81/77/32/565817732.db2.gz JLQZASQYOLXDAS-MRXNPFEDSA-N 1 0 382.291 2.964 20 0 GFADRO O=C(Nc1ccc2nccnc2c1Br)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000672815767 565818033 /nfs/dbraw/zinc/81/80/33/565818033.db2.gz AOFRZPVKAMVDJP-LBPRGKRZSA-N 1 0 390.285 2.998 20 0 GFADRO COC(=O)C[C@@H](NC(=O)C1(C[NH+](C)C)CC1)c1ccc(Br)cc1 ZINC000602043172 565818146 /nfs/dbraw/zinc/81/81/46/565818146.db2.gz RLLPFOPHIPUSCC-CQSZACIVSA-N 1 0 383.286 2.511 20 0 GFADRO C[C@H](NC(=O)c1cnc2ncc(Br)cc2c1)C1=CC[N@H+](C)CC1 ZINC000672945516 565822909 /nfs/dbraw/zinc/82/29/09/565822909.db2.gz MMJFUNPMWAUZPJ-NSHDSACASA-N 1 0 375.270 2.773 20 0 GFADRO Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000629176323 565827973 /nfs/dbraw/zinc/82/79/73/565827973.db2.gz KNLDBWHTYTYCST-LLVKDONJSA-N 1 0 384.263 2.753 20 0 GFADRO O=C(NC[C@H]1CCCC[N@H+]1CCO)c1c[nH]c2ccc(Br)cc12 ZINC000650597276 565828194 /nfs/dbraw/zinc/82/81/94/565828194.db2.gz TUCGKWBPZLYVLB-CYBMUJFWSA-N 1 0 380.286 2.507 20 0 GFADRO O=C(CCCc1cccc(Br)c1)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000650601086 565829616 /nfs/dbraw/zinc/82/96/16/565829616.db2.gz CMIUHCXFGYTKGV-KRWDZBQOSA-N 1 0 383.330 2.735 20 0 GFADRO O=C(Nc1ccc(SCC[NH+]2CCCC2)cc1)[C@@H]1CCCCS1(=O)=O ZINC000650679859 565830417 /nfs/dbraw/zinc/83/04/17/565830417.db2.gz BTSQPQHSSYCTJR-KRWDZBQOSA-N 1 0 382.551 2.780 20 0 GFADRO Cc1ccc(NC(=O)c2nn(C)cc2I)c(C[NH+](C)C)c1 ZINC000602266734 565834850 /nfs/dbraw/zinc/83/48/50/565834850.db2.gz WJZNKIXNPVHMAR-UHFFFAOYSA-N 1 0 398.248 2.647 20 0 GFADRO O=C(CCSc1ccccc1Br)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000673511916 565837120 /nfs/dbraw/zinc/83/71/20/565837120.db2.gz FWHRQPVYPUSYST-ZIAGYGMSSA-N 1 0 399.354 2.599 20 0 GFADRO CC[N@@H+]1CCCN(C(=O)C(=O)NCCCc2ccc(Cl)cc2Cl)CC1 ZINC000673610006 565843315 /nfs/dbraw/zinc/84/33/15/565843315.db2.gz GJMDMGVSRDJKQS-UHFFFAOYSA-N 1 0 386.323 2.596 20 0 GFADRO COc1cc(NC(=O)Nc2cnn(CC[NH+](C)C)c2)ccc1Br ZINC000673766501 565845749 /nfs/dbraw/zinc/84/57/49/565845749.db2.gz KJHKJJOYPJTCAG-UHFFFAOYSA-N 1 0 382.262 2.860 20 0 GFADRO CC(C)C[N@H+](C)CCCNC(=O)N[C@H]1C[C@H](C)S(=O)(=O)c2sccc21 ZINC000651110048 565846530 /nfs/dbraw/zinc/84/65/30/565846530.db2.gz GQLPCESWLKFFRW-ZFWWWQNUSA-N 1 0 387.571 2.632 20 0 GFADRO CCc1ccc(-c2csc(NC(=O)C3([S@@](C)=O)CC[NH2+]CC3)n2)s1 ZINC000602437252 565847541 /nfs/dbraw/zinc/84/75/41/565847541.db2.gz GHEGPHJDKKFROC-XMMPIXPASA-N 1 0 383.564 2.873 20 0 GFADRO CC(C)c1nc(S(=O)(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)c[nH]1 ZINC000673823069 565848912 /nfs/dbraw/zinc/84/89/12/565848912.db2.gz UOFKYKCDQGPEAD-XJKSGUPXSA-N 1 0 382.555 2.956 20 0 GFADRO COc1cc(Cl)ccc1S(=O)(=O)NC1CC[NH+](CCOC(C)C)CC1 ZINC000673825662 565849415 /nfs/dbraw/zinc/84/94/15/565849415.db2.gz QMCKSPQOMDOGNO-UHFFFAOYSA-N 1 0 390.933 2.516 20 0 GFADRO CCC1([NH+]2CCOCC2)CCN(C(=O)c2csc(C(F)(F)F)n2)CC1 ZINC000629415883 565850559 /nfs/dbraw/zinc/85/05/59/565850559.db2.gz CAMFDTHEODMTKV-UHFFFAOYSA-N 1 0 377.432 2.879 20 0 GFADRO Ic1ccc(CN2CC[NH+](C[C@@H]3CCOC3)CC2)s1 ZINC000602480692 565851232 /nfs/dbraw/zinc/85/12/32/565851232.db2.gz IRPMIUDEQKFLNS-LBPRGKRZSA-N 1 0 392.306 2.507 20 0 GFADRO Cc1cc(C(=O)N[C@@H]2CC[NH2+]C[C@H]2C)c(I)cc1Cl ZINC000602490666 565851404 /nfs/dbraw/zinc/85/14/04/565851404.db2.gz CVHMPVQNENEUMI-NOZJJQNGSA-N 1 0 392.668 2.981 20 0 GFADRO C[C@H](Cc1cccc(Br)c1)NC(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000673869814 565851838 /nfs/dbraw/zinc/85/18/38/565851838.db2.gz VTNFNXWLGSNWQG-CYBMUJFWSA-N 1 0 394.317 2.960 20 0 GFADRO C[NH+](C)CCn1cc(NCc2ccc(I)s2)cn1 ZINC000602533745 565853910 /nfs/dbraw/zinc/85/39/10/565853910.db2.gz BIQOQQJGRLCDAE-UHFFFAOYSA-N 1 0 376.267 2.723 20 0 GFADRO C[NH+](C)C[C@H](c1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2CSCCN2C1=O ZINC000629487994 565856784 /nfs/dbraw/zinc/85/67/84/565856784.db2.gz RJDGYDYNNDGOCQ-ZIAGYGMSSA-N 1 0 388.320 2.976 20 0 GFADRO C[N@@H+]1CCN(CCNc2ncc(Br)c3ccc(F)cc32)CC1(C)C ZINC000651347992 565859003 /nfs/dbraw/zinc/85/90/03/565859003.db2.gz BEOVRNCWOCWDBU-UHFFFAOYSA-N 1 0 395.320 3.574 20 0 GFADRO C[C@H](NC(=O)CN1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1)c1ccccc1Cl ZINC000629566591 565859197 /nfs/dbraw/zinc/85/91/97/565859197.db2.gz MYXPQTAGRSIIFS-OBJOEFQTSA-N 1 0 377.838 2.976 20 0 GFADRO C[C@H](NC(=O)CN1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1)c1ccc(Cl)cc1 ZINC000629568451 565859543 /nfs/dbraw/zinc/85/95/43/565859543.db2.gz SNRDAUFXIVHUQY-NJZAAPMLSA-N 1 0 377.838 2.976 20 0 GFADRO O[C@H](CNCc1cc(Br)ccc1Br)C[NH+]1CCCC1 ZINC000629575632 565860662 /nfs/dbraw/zinc/86/06/62/565860662.db2.gz JUDUIRZNMKUNKY-CYBMUJFWSA-N 1 0 392.135 2.758 20 0 GFADRO Cn1ncc(C(F)(F)F)c1C[NH2+]C[C@H](O)COCc1ccc(Cl)cc1 ZINC000629587740 565860777 /nfs/dbraw/zinc/86/07/77/565860777.db2.gz SQJWDSKDHSETRR-ZDUSSCGKSA-N 1 0 377.794 2.760 20 0 GFADRO COc1ncc(Br)cc1C[NH2+]C[C@@H](O)COc1ccccc1C ZINC000629593673 565862045 /nfs/dbraw/zinc/86/20/45/565862045.db2.gz URCBKZQVUVXUBA-OAHLLOKOSA-N 1 0 381.270 2.691 20 0 GFADRO O=C1C[C@@H]([NH2+]Cc2cc(Cl)ccc2I)CCCN1 ZINC000602706516 565863563 /nfs/dbraw/zinc/86/35/63/565863563.db2.gz PBTJLSWSOOEVFZ-NSHDSACASA-N 1 0 378.641 2.703 20 0 GFADRO O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cc(=O)c2cc(Br)ccc2[nH]1 ZINC000602748330 565866496 /nfs/dbraw/zinc/86/64/96/565866496.db2.gz STRKDAKIETXQQI-QWHCGFSZSA-N 1 0 390.281 2.647 20 0 GFADRO O=C([C@@H]1CCn2cncc2C1)N1CCc2cc(F)cc(Br)c2C1 ZINC000629740953 565867424 /nfs/dbraw/zinc/86/74/24/565867424.db2.gz OHCSAFYNFYFSBO-GFCCVEGCSA-N 1 0 378.245 2.932 20 0 GFADRO COC1CC[NH+](CCNC(=O)N[C@@H]2CCc3c2cccc3Br)CC1 ZINC000674328748 565868413 /nfs/dbraw/zinc/86/84/13/565868413.db2.gz SVXFXJZEPWAFLT-QGZVFWFLSA-N 1 0 396.329 2.846 20 0 GFADRO COc1ccc(NC(=O)NCC[NH+]2CCC(OC)CC2)cc1Br ZINC000674317240 565868567 /nfs/dbraw/zinc/86/85/67/565868567.db2.gz INDILOOTFBYCIS-UHFFFAOYSA-N 1 0 386.290 2.690 20 0 GFADRO COC(=O)c1ccc(CN2CC[C@H](Oc3cncc(Br)c3)C2)o1 ZINC000602880107 565873089 /nfs/dbraw/zinc/87/30/89/565873089.db2.gz DNJFDZFYPQTXIF-ZDUSSCGKSA-N 1 0 381.226 2.877 20 0 GFADRO O=C(NCC[N@H+]1CC[C@H](O)C1)C1(c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000629915996 565875588 /nfs/dbraw/zinc/87/55/88/565875588.db2.gz PUFZNUNTJNCJRD-LBPRGKRZSA-N 1 0 376.806 2.573 20 0 GFADRO Cc1cc(Br)sc1S(=O)(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000651603972 565878623 /nfs/dbraw/zinc/87/86/23/565878623.db2.gz MDWJQLDSSAJKHY-RYUDHWBXSA-N 1 0 393.372 2.924 20 0 GFADRO Cc1cc(Br)sc1S(=O)(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000651603971 565878943 /nfs/dbraw/zinc/87/89/43/565878943.db2.gz MDWJQLDSSAJKHY-NWDGAFQWSA-N 1 0 393.372 2.924 20 0 GFADRO C[C@H](C(=O)NC[C@H](c1ccsc1)[NH+](C)C)c1ccc(S(C)(=O)=O)cc1 ZINC000674667060 565880663 /nfs/dbraw/zinc/88/06/63/565880663.db2.gz YNJSEPWQBNDAPM-SUMWQHHRSA-N 1 0 380.535 2.674 20 0 GFADRO CC[C@H]1Cc2c(Br)cccc2C[N@@H+]1C[C@@H](O)CC1(O)CCOCC1 ZINC000630041206 565881207 /nfs/dbraw/zinc/88/12/07/565881207.db2.gz KMSUMFIGNBUNNI-HOTGVXAUSA-N 1 0 398.341 2.878 20 0 GFADRO COc1cc(C)c(Br)cc1S(=O)(=O)N(C)CCCC[NH+](C)C ZINC000674716768 565881571 /nfs/dbraw/zinc/88/15/71/565881571.db2.gz SCFMTZDLFLWWLW-UHFFFAOYSA-N 1 0 393.347 2.728 20 0 GFADRO [NH3+]CCSCc1cn(Cc2cc(Br)cc3cccnc32)nn1 ZINC000603204054 565889542 /nfs/dbraw/zinc/88/95/42/565889542.db2.gz OCVBKAHWMZBPPU-UHFFFAOYSA-N 1 0 378.299 2.829 20 0 GFADRO COCC[N@@H+]1CCCN(C(=O)c2c[nH]c3ccc(Br)cc23)CC1 ZINC000603223363 565891231 /nfs/dbraw/zinc/89/12/31/565891231.db2.gz MTHPUZNMQSJXMQ-UHFFFAOYSA-N 1 0 380.286 2.725 20 0 GFADRO CCOC(=O)c1nc(N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)ccc1Br ZINC000603317242 565897467 /nfs/dbraw/zinc/89/74/67/565897467.db2.gz GTIQOHAPYAEJMU-TZMCWYRMSA-N 1 0 382.302 2.941 20 0 GFADRO CN(CC[NH+]1CCCCC1)S(=O)(=O)c1ccc(OCC(F)(F)F)cc1 ZINC000651926725 565905163 /nfs/dbraw/zinc/90/51/63/565905163.db2.gz IZNSACKUQZOWJN-UHFFFAOYSA-N 1 0 380.432 2.734 20 0 GFADRO CN(C)c1ncc(Br)cc1C(=O)N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000603466045 565907586 /nfs/dbraw/zinc/90/75/86/565907586.db2.gz QCRHITCBECPOKD-UHFFFAOYSA-N 1 0 383.334 2.857 20 0 GFADRO Cc1cc(Br)cn2c(CNc3cnn(CC[NH+](C)C)c3)cnc12 ZINC000651990921 565909850 /nfs/dbraw/zinc/90/98/50/565909850.db2.gz ABYORYFCCIASBY-UHFFFAOYSA-N 1 0 377.290 2.775 20 0 GFADRO OCC1(CC[NH2+]Cc2ccc(Br)cc2N2CCOCC2)CCC1 ZINC000652036409 565912104 /nfs/dbraw/zinc/91/21/04/565912104.db2.gz HXYLSBLLSNYQDO-UHFFFAOYSA-N 1 0 383.330 2.928 20 0 GFADRO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CC[C@]1(O)CCCOC1 ZINC000652045779 565912974 /nfs/dbraw/zinc/91/29/74/565912974.db2.gz FTFMYSGAEYSKHR-CXAGYDPISA-N 1 0 385.302 2.687 20 0 GFADRO C[C@@H]1C[C@H]([NH2+]CCCN(C)S(C)(=O)=O)c2cccc(Br)c21 ZINC000675746164 565914035 /nfs/dbraw/zinc/91/40/35/565914035.db2.gz CYXWCIFFEDVEIB-RISCZKNCSA-N 1 0 375.332 2.869 20 0 GFADRO CC[C@H](C[NH+]1CCCC1)NS(=O)(=O)Cc1ccc(Br)cc1 ZINC000675757459 565915220 /nfs/dbraw/zinc/91/52/20/565915220.db2.gz JAKIZOSSCJKWOY-OAHLLOKOSA-N 1 0 375.332 2.743 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(C(=O)NCc3cccc(Br)c3)C2)C1 ZINC000652141848 565916575 /nfs/dbraw/zinc/91/65/75/565916575.db2.gz ALPKRGXYGMCZDF-OIISXLGYSA-N 1 0 396.329 2.877 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2CC(=O)Nc2ccccc2Br)C1 ZINC000652360661 565924198 /nfs/dbraw/zinc/92/41/98/565924198.db2.gz NREDONOLAFENDH-XYPHTWIQSA-N 1 0 396.329 2.748 20 0 GFADRO CN1CCC([N@@H+]2CC[C@@H](NC(=O)NCc3cccc(Cl)c3Cl)C2)CC1 ZINC000604184962 565924647 /nfs/dbraw/zinc/92/46/47/565924647.db2.gz MEJWJHCDAYQKQO-CQSZACIVSA-N 1 0 385.339 2.961 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2CC(=O)Nc2ccccc2Br)C1 ZINC000652360658 565924856 /nfs/dbraw/zinc/92/48/56/565924856.db2.gz NREDONOLAFENDH-COXVUDFISA-N 1 0 396.329 2.748 20 0 GFADRO CCO[C@@H]1CN([C@H](C)C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)C[C@H]1C[NH3+] ZINC000652358246 565924892 /nfs/dbraw/zinc/92/48/92/565924892.db2.gz NSGPHBSQCMIQCU-HPTBWKMGSA-N 1 0 388.339 2.855 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(S(=O)(=O)c3c(Cl)ccc(F)c3F)C2)C1 ZINC000652374221 565925391 /nfs/dbraw/zinc/92/53/91/565925391.db2.gz MBSQBJOXXVOYSU-WDMOLILDSA-N 1 0 394.871 2.525 20 0 GFADRO CN(Cc1ccc(Cl)s1)C(=O)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000676091006 565925895 /nfs/dbraw/zinc/92/58/95/565925895.db2.gz UDLLXWGVTZRYOQ-UHFFFAOYSA-N 1 0 375.841 2.579 20 0 GFADRO Cc1cc(Br)c(S(=O)(=O)N2CCC[C@H](C)[C@H]2CC[NH3+])s1 ZINC000652377901 565926590 /nfs/dbraw/zinc/92/65/90/565926590.db2.gz SATJCLOYDCRPLW-JOYOIKCWSA-N 1 0 381.361 2.957 20 0 GFADRO Cc1cc(S(=O)(=O)N2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)c(Cl)cc1F ZINC000652384412 565927582 /nfs/dbraw/zinc/92/75/82/565927582.db2.gz ZFHUDEYFPQTQRQ-WQVCFCJDSA-N 1 0 390.908 2.837 20 0 GFADRO COc1ccc(NC(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)cc1Br ZINC000604623072 565934232 /nfs/dbraw/zinc/93/42/32/565934232.db2.gz FSLSKBMIMWJXND-HUUCEWRRSA-N 1 0 398.301 2.521 20 0 GFADRO COCCOc1ccc(Br)cc1NC(=O)NCCC1(C[NH3+])CC1 ZINC000652593038 565934436 /nfs/dbraw/zinc/93/44/36/565934436.db2.gz GRHGPEOCFDKIQD-UHFFFAOYSA-N 1 0 386.290 2.725 20 0 GFADRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)Cn2cc(Br)cn2)CC1 ZINC000604713665 565935584 /nfs/dbraw/zinc/93/55/84/565935584.db2.gz ATCOSQUHRIYRFB-CQSZACIVSA-N 1 0 391.313 2.987 20 0 GFADRO CCOc1cc(C[NH2+]Cc2ccc(Cl)c(S(N)(=O)=O)c2)ccc1OC ZINC000631071273 565938509 /nfs/dbraw/zinc/93/85/09/565938509.db2.gz FAQKBLAKLJSQJQ-UHFFFAOYSA-N 1 0 384.885 2.685 20 0 GFADRO COc1ccccc1O[C@H](C)C[NH2+]Cc1ccc(Cl)c(S(N)(=O)=O)c1 ZINC000631082802 565940193 /nfs/dbraw/zinc/94/01/93/565940193.db2.gz FSDCREDBCLIHDT-GFCCVEGCSA-N 1 0 384.885 2.553 20 0 GFADRO C[C@@H](O)C[C@H](C[NH2+]Cc1ccc(Cl)c(S(N)(=O)=O)c1)c1ccccc1 ZINC000631092177 565940228 /nfs/dbraw/zinc/94/02/28/565940228.db2.gz YVSDJYKAUPDHLF-CZUORRHYSA-N 1 0 382.913 2.632 20 0 GFADRO O=C(CCn1cc(Br)cn1)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000676507448 565941317 /nfs/dbraw/zinc/94/13/17/565941317.db2.gz UASFKQSWIPLHQA-BBRMVZONSA-N 1 0 381.318 2.511 20 0 GFADRO COc1cc(C[NH2+]CC2(S(C)(=O)=O)CCC2)c(F)cc1Br ZINC000631124574 565943419 /nfs/dbraw/zinc/94/34/19/565943419.db2.gz NJURNPSASWYWRT-UHFFFAOYSA-N 1 0 380.279 2.654 20 0 GFADRO CCOCCO[C@H]1CC[N@H+](C[C@H](O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000676743968 565946808 /nfs/dbraw/zinc/94/68/08/565946808.db2.gz FPYLFRUIGBJTQR-ZFWWWQNUSA-N 1 0 378.296 2.861 20 0 GFADRO C[C@@H](C[NH2+]Cc1cc(C(F)(F)F)nn1C)c1ccc(S(C)(=O)=O)cc1 ZINC000631270517 565952040 /nfs/dbraw/zinc/95/20/40/565952040.db2.gz SPLUPYPIGXVVFN-NSHDSACASA-N 1 0 375.416 2.736 20 0 GFADRO Nc1ncc(Cl)cc1S(=O)(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000676884868 565953380 /nfs/dbraw/zinc/95/33/80/565953380.db2.gz IXACAHKMHQOQBG-UHFFFAOYSA-N 1 0 386.949 2.594 20 0 GFADRO CN1CC[C@H]([NH+]2CCC(Nc3ncc(C(F)(F)F)cc3Cl)CC2)C1=O ZINC000631308145 565953750 /nfs/dbraw/zinc/95/37/50/565953750.db2.gz ZKINXZHZFYXFKQ-ZDUSSCGKSA-N 1 0 376.810 2.861 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)[C@@H]1CCC[NH2+]CC1 ZINC000653083261 565954092 /nfs/dbraw/zinc/95/40/92/565954092.db2.gz SYTXYYNEINJQIK-CYBMUJFWSA-N 1 0 382.302 2.592 20 0 GFADRO O=C([C@@H]1CC[C@@H](C2CC2)[NH2+]1)N1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000653078011 565954340 /nfs/dbraw/zinc/95/43/40/565954340.db2.gz ROIIQVHTRXFFGG-ULQDDVLXSA-N 1 0 379.298 2.880 20 0 GFADRO COc1cc(CNC(=O)[C@H]2CC[C@@H](C3CC3)[NH2+]2)cc(Br)c1OC ZINC000653083335 565954390 /nfs/dbraw/zinc/95/43/90/565954390.db2.gz VXBOMITZTGNNSF-UONOGXRCSA-N 1 0 383.286 2.613 20 0 GFADRO O=C([C@@H]1CCC[NH2+]CC1)N1CCN(Cc2ccc(Br)s2)CC1 ZINC000653106079 565955467 /nfs/dbraw/zinc/95/54/67/565955467.db2.gz RXVALDSZYJOGSP-CYBMUJFWSA-N 1 0 386.359 2.545 20 0 GFADRO COC[C@@]1(CNC(=O)c2ccc(Br)c(OC(C)C)c2)CCC[NH2+]1 ZINC000653139817 565956233 /nfs/dbraw/zinc/95/62/33/565956233.db2.gz ZANCBAFOEJYQAB-KRWDZBQOSA-N 1 0 385.302 2.735 20 0 GFADRO [NH3+]CC[C@H](NC(=O)[C@H]1CCOc2ccc(Br)cc21)C(F)(F)F ZINC000653147572 565956612 /nfs/dbraw/zinc/95/66/12/565956612.db2.gz QNYAXUAQIVIDQO-CABZTGNLSA-N 1 0 381.192 2.711 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)N[C@@H](CO)c2ccc(Br)cc2)c2nccn21 ZINC000653175623 565957146 /nfs/dbraw/zinc/95/71/46/565957146.db2.gz IAPBZZLIQYLYOK-SWHYSGLUSA-N 1 0 379.258 2.684 20 0 GFADRO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCN(C(=O)c3ccc(F)c(Br)c3)C2)C1 ZINC000653187613 565958228 /nfs/dbraw/zinc/95/82/28/565958228.db2.gz AIEKCWCICKOGCZ-XJKCOSOUSA-N 1 0 385.277 2.947 20 0 GFADRO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCN(C(=O)c3ccc(F)cc3Br)C2)C1 ZINC000653189895 565958531 /nfs/dbraw/zinc/95/85/31/565958531.db2.gz CVRFZVSKSWZEJY-NORZTCDRSA-N 1 0 385.277 2.947 20 0 GFADRO CCO[C@@H]1CN(C(=O)c2cc(Cl)cc(F)c2Br)C[C@H]1C[NH3+] ZINC000653248253 565960352 /nfs/dbraw/zinc/96/03/52/565960352.db2.gz KIODAOZSBCXJGV-PRHODGIISA-N 1 0 379.657 2.677 20 0 GFADRO CS(=O)(=O)CC1CCC([NH2+][C@H](CO)c2cccc(C(F)(F)F)c2)CC1 ZINC000631662848 565965746 /nfs/dbraw/zinc/96/57/46/565965746.db2.gz WRDHAJLNFTUBCH-VDSRIPIWSA-N 1 0 379.444 2.932 20 0 GFADRO C[C@@H]([NH2+]CC[C@@H](O)C(F)F)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000631697775 565968873 /nfs/dbraw/zinc/96/88/73/565968873.db2.gz PRWLZAVSIWUIOE-CZUORRHYSA-N 1 0 376.469 2.528 20 0 GFADRO C[NH+](C)CCN(Cc1ccc(F)cc1F)S(=O)(=O)C[C@H]1CCC1(F)F ZINC000631812910 565976808 /nfs/dbraw/zinc/97/68/08/565976808.db2.gz GXXUHLPGABQBFN-CYBMUJFWSA-N 1 0 382.423 2.704 20 0 GFADRO O=C(NC1CC[NH+](CCOc2ccc(Br)cc2)CC1)c1cnco1 ZINC000677554804 565977139 /nfs/dbraw/zinc/97/71/39/565977139.db2.gz RHYOSFLILBEPSC-UHFFFAOYSA-N 1 0 394.269 2.710 20 0 GFADRO O=C(CCc1cc(Br)ccc1F)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000677541487 565977172 /nfs/dbraw/zinc/97/71/72/565977172.db2.gz RUEGLGRBGZRWNF-IAGOWNOFSA-N 1 0 399.304 2.578 20 0 GFADRO O=C(CN1CCC[C@@H]2C[NH2+]CC[C@@H]21)Nc1c(F)cc(F)cc1Br ZINC000631885769 565980083 /nfs/dbraw/zinc/98/00/83/565980083.db2.gz DSEVSQJSDMLUBP-YGRLFVJLSA-N 1 0 388.256 2.740 20 0 GFADRO CN(Cc1cc(Br)cs1)C(=O)CN1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631888509 565981377 /nfs/dbraw/zinc/98/13/77/565981377.db2.gz WQONKALUZKYLLK-IUODEOHRSA-N 1 0 386.359 2.543 20 0 GFADRO C[C@H](CNS(=O)(=O)N(C)C1CC[NH2+]CC1)c1c(Cl)cccc1Cl ZINC000631916664 565983399 /nfs/dbraw/zinc/98/33/99/565983399.db2.gz BCMHJPAQIROMMX-LLVKDONJSA-N 1 0 380.341 2.615 20 0 GFADRO C[NH+](C)CCN(Cc1ccccn1)S(=O)(=O)C[C@H]1CCCC(F)(F)C1 ZINC000631918274 565983516 /nfs/dbraw/zinc/98/35/16/565983516.db2.gz XZFCFZDRILBNRO-HNNXBMFYSA-N 1 0 375.485 2.601 20 0 GFADRO O=S(=O)(c1cscc1Br)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000631940064 565984295 /nfs/dbraw/zinc/98/42/95/565984295.db2.gz OHRXRLZBALKJLD-VXGBXAGGSA-N 1 0 393.372 2.911 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)C(=O)CS(=O)(=O)Cc2ccc(Cl)s2)[C@@H](C)C1 ZINC000607521374 565985023 /nfs/dbraw/zinc/98/50/23/565985023.db2.gz PDICIZXDPQNOJX-JSGCOSHPSA-N 1 0 392.974 2.505 20 0 GFADRO O=S(=O)(c1ccc(C(F)(F)C(F)(F)F)cc1)N1CCC2(CC[NH2+]2)CC1 ZINC000631945645 565985448 /nfs/dbraw/zinc/98/54/48/565985448.db2.gz FOZRMUZUJLZNCK-UHFFFAOYSA-N 1 0 384.370 2.857 20 0 GFADRO CN(C(=O)[C@H]1CCN(c2cc(Cl)ccc2Cl)C1=O)[C@@H]1CCC[N@H+](C)C1 ZINC000607686810 565988040 /nfs/dbraw/zinc/98/80/40/565988040.db2.gz TWBKYIVKHVXXNP-ZIAGYGMSSA-N 1 0 384.307 2.899 20 0 GFADRO C[NH+](C)CC[C@@H](NS(=O)(=O)Cc1ncsc1Br)C(C)(C)C ZINC000631981097 565988160 /nfs/dbraw/zinc/98/81/60/565988160.db2.gz VKMRYRBMPNYBMN-LLVKDONJSA-N 1 0 398.392 2.691 20 0 GFADRO O=c1[nH]c2ccc(S(=O)(=O)N3CCC[C@H]([NH+]4CCCC4)CC3)cc2s1 ZINC000631996699 565989469 /nfs/dbraw/zinc/98/94/69/565989469.db2.gz JDXYLDUMFAMJBG-ZDUSSCGKSA-N 1 0 381.523 2.641 20 0 GFADRO COc1cc(NC(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)cc(OC)c1Br ZINC000654029123 565991666 /nfs/dbraw/zinc/99/16/66/565991666.db2.gz ONXHQZLXINNGBB-KLPPZKSPSA-N 1 0 386.290 2.928 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)Cc2ncsc2Br)C[C@@H]1C ZINC000632018713 565991994 /nfs/dbraw/zinc/99/19/94/565991994.db2.gz HWRBRKXRPVLXFX-QWRGUYRKSA-N 1 0 396.376 2.540 20 0 GFADRO CS(=O)(=O)c1cc(C(=O)N2CCC(C[NH+]3CCCCCC3)CC2)cs1 ZINC000677999783 565992229 /nfs/dbraw/zinc/99/22/29/565992229.db2.gz RMOYKZYOICQDAK-UHFFFAOYSA-N 1 0 384.567 2.880 20 0 GFADRO O=C(Nc1nc2cc(Br)ccn2n1)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000654107336 565998333 /nfs/dbraw/zinc/99/83/33/565998333.db2.gz ZJQMQMLDMBHQFF-QWHCGFSZSA-N 1 0 393.289 2.630 20 0 GFADRO CC(=O)NC[C@@H]1CN(c2c(C)c(C)[nH+]c3ccc(Br)cc32)CCO1 ZINC000608086457 566003899 /nfs/dbraw/zinc/00/38/99/566003899.db2.gz HXHIDBJAGGLHMJ-OAHLLOKOSA-N 1 0 392.297 2.955 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)N1CCOc2cccc(Br)c2C1 ZINC000654386468 566007176 /nfs/dbraw/zinc/00/71/76/566007176.db2.gz XPNFGVFUCLEPEQ-CVEARBPZSA-N 1 0 394.313 2.980 20 0 GFADRO C[C@H](CNC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)Oc1ccccc1Br ZINC000654474901 566010797 /nfs/dbraw/zinc/01/07/97/566010797.db2.gz WNTAVKOTVRRRDQ-MCIONIFRSA-N 1 0 384.318 2.856 20 0 GFADRO C[C@H]([NH2+]CCCN1CCCS1(=O)=O)c1cc(Br)ccc1F ZINC000678583393 566013509 /nfs/dbraw/zinc/01/35/09/566013509.db2.gz RLPIURNVYONSIF-NSHDSACASA-N 1 0 379.295 2.664 20 0 GFADRO CC(C)C([NH2+]CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1)C(C)C ZINC000678899064 566023951 /nfs/dbraw/zinc/02/39/51/566023951.db2.gz NQLGNPXOHNCGHQ-UHFFFAOYSA-N 1 0 389.949 2.799 20 0 GFADRO CO[C@H](C(=O)NC[C@]1([NH+](C)C)CCSC1)c1ccccc1Br ZINC000654856257 566025760 /nfs/dbraw/zinc/02/57/60/566025760.db2.gz YGLSTGSYAIZZJR-GOEBONIOSA-N 1 0 387.343 2.690 20 0 GFADRO Cc1c(C(=O)NC[C@H](c2cccs2)[NH+](C)C)sc2nc(C)nc(N)c12 ZINC000679178575 566031364 /nfs/dbraw/zinc/03/13/64/566031364.db2.gz HWEONGNBKMBSKL-LLVKDONJSA-N 1 0 375.523 2.985 20 0 GFADRO O=C(Nc1ccccc1Br)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000654946867 566032100 /nfs/dbraw/zinc/03/21/00/566032100.db2.gz ORIPMFUFHJNXFJ-GJZGRUSLSA-N 1 0 380.286 2.521 20 0 GFADRO O=S(=O)(c1cc(Cl)cc(Cl)c1)N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000632452416 566033578 /nfs/dbraw/zinc/03/35/78/566033578.db2.gz USOIXIOWXBFVRL-UHFFFAOYSA-N 1 0 393.336 2.869 20 0 GFADRO O=C(C[NH2+][C@@H](c1ccc(Br)cc1)[C@H]1CCCO1)NCC(F)(F)F ZINC000679334808 566038272 /nfs/dbraw/zinc/03/82/72/566038272.db2.gz BHVCZKUZQIFBKI-OCCSQVGLSA-N 1 0 395.219 2.937 20 0 GFADRO Brc1ccc(-c2nnc(CN3CCN(c4cc[nH+]cc4)CC3)o2)o1 ZINC000679435684 566040398 /nfs/dbraw/zinc/04/03/98/566040398.db2.gz NZLDOHMWWSQTEE-UHFFFAOYSA-N 1 0 390.241 2.809 20 0 GFADRO CN(C(=O)c1ccc(I)c(F)c1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000609509398 566041278 /nfs/dbraw/zinc/04/12/78/566041278.db2.gz XDHIUAPWWCKIMY-LBPRGKRZSA-N 1 0 388.224 2.739 20 0 GFADRO C[N@@H+]1CCC[C@H](CCNC(=O)NCc2cc3c(c(Br)c2)OCO3)C1 ZINC000655166120 566042938 /nfs/dbraw/zinc/04/29/38/566042938.db2.gz FSBVNVOBTREDSF-GFCCVEGCSA-N 1 0 398.301 2.709 20 0 GFADRO CC1([NH+]2CCCC2)CCN(S(=O)(=O)c2ccc3[nH]c(=O)sc3c2)CC1 ZINC000632638986 566053660 /nfs/dbraw/zinc/05/36/60/566053660.db2.gz GEDRVPNCPNYFQJ-UHFFFAOYSA-N 1 0 381.523 2.641 20 0 GFADRO O=C(N[C@H](C[C@H]1CCCO1)C(F)(F)F)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000655337022 566054225 /nfs/dbraw/zinc/05/42/25/566054225.db2.gz JQMZEGYXTXQBLZ-RBSFLKMASA-N 1 0 380.476 2.820 20 0 GFADRO Cn1cnnc1Sc1ccc(NC(=O)[C@H]2C[C@]23CCC[NH2+]C3)cc1Cl ZINC000655437185 566057238 /nfs/dbraw/zinc/05/72/38/566057238.db2.gz RTTYLYSKHLYJHA-PXAZEXFGSA-N 1 0 377.901 2.948 20 0 GFADRO O=C(NCc1noc(-c2cccc(Br)c2)n1)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000655477129 566058438 /nfs/dbraw/zinc/05/84/38/566058438.db2.gz AKMSQUULRWMAJC-DYVFJYSZSA-N 1 0 391.269 2.505 20 0 GFADRO [NH3+]Cc1cn([C@H]2CCCN(C(=O)CCc3c(Cl)cccc3Cl)C2)nn1 ZINC000655478407 566058669 /nfs/dbraw/zinc/05/86/69/566058669.db2.gz UTWGDKCWPGMKEG-ZDUSSCGKSA-N 1 0 382.295 2.840 20 0 GFADRO O=C(N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000655472757 566058714 /nfs/dbraw/zinc/05/87/14/566058714.db2.gz ZYRCKMSWYFUEEE-PNPHSEOMSA-N 1 0 382.291 2.605 20 0 GFADRO CN(CC1([NH+](C)C)CCC1)C(=O)c1ccc2cncc(Br)c2n1 ZINC000632686803 566059046 /nfs/dbraw/zinc/05/90/46/566059046.db2.gz OFAQPWVTRJFTQD-UHFFFAOYSA-N 1 0 377.286 2.949 20 0 GFADRO Cc1c(Br)cccc1CS(=O)(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000655479946 566059431 /nfs/dbraw/zinc/05/94/31/566059431.db2.gz JVMBUYYLVDUUMY-CYBMUJFWSA-N 1 0 389.359 2.909 20 0 GFADRO COc1cc(Cl)ccc1S(=O)(=O)N1CCCN(c2cc[nH+]cc2)CC1 ZINC000632721739 566061014 /nfs/dbraw/zinc/06/10/14/566061014.db2.gz MYKZWJCTNXKXQT-UHFFFAOYSA-N 1 0 381.885 2.645 20 0 GFADRO C[NH+](C)C[C@]1(O)CCCN(C(=O)[C@H]2C[C@@]2(C)c2cccc(Br)c2)C1 ZINC000632773451 566066708 /nfs/dbraw/zinc/06/67/08/566066708.db2.gz OZPPJEAQSMOAOZ-NZSAHSFTSA-N 1 0 395.341 2.642 20 0 GFADRO COC(=O)[C@@H](NC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C)c1ccc(Br)cc1 ZINC000610150300 566068899 /nfs/dbraw/zinc/06/88/99/566068899.db2.gz HWULRAZZLQSHAH-OZVIIMIRSA-N 1 0 383.286 2.652 20 0 GFADRO Cc1c(Br)cccc1CS(=O)(=O)N[C@@H](C)C[N@@H+](C)C(C)C ZINC000655595547 566070560 /nfs/dbraw/zinc/07/05/60/566070560.db2.gz SCYXIEJTJUIHSR-LBPRGKRZSA-N 1 0 377.348 2.906 20 0 GFADRO O=C(Nc1cc(Cl)cc(Br)c1)N1CCC([NH2+]CCO)CC1 ZINC000632951155 566076332 /nfs/dbraw/zinc/07/63/32/566076332.db2.gz XHOPMZSTSQQLDM-UHFFFAOYSA-N 1 0 376.682 2.681 20 0 GFADRO O=C(Nc1cc(F)c(Br)cc1Cl)N1CCC([NH2+]CCO)CC1 ZINC000632942247 566076566 /nfs/dbraw/zinc/07/65/66/566076566.db2.gz HZFIJETYLBSNFU-UHFFFAOYSA-N 1 0 394.672 2.820 20 0 GFADRO CC(C)Oc1cc(NC(=O)N2CCO[C@H]([C@@H](C)[NH3+])C2)ccc1Br ZINC000632960672 566077528 /nfs/dbraw/zinc/07/75/28/566077528.db2.gz ITOCXHQCSQEIPT-ABAIWWIYSA-N 1 0 386.290 2.816 20 0 GFADRO Cc1cc(Br)ccc1C(=O)N1CCC([NH2+]CC2(CO)CC2)CC1 ZINC000680635393 566078878 /nfs/dbraw/zinc/07/88/78/566078878.db2.gz TZYNBHRHRPPEIZ-UHFFFAOYSA-N 1 0 381.314 2.724 20 0 GFADRO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)Nc1ccc(Br)c(Cl)c1Cl ZINC000633040467 566080936 /nfs/dbraw/zinc/08/09/36/566080936.db2.gz PRAMFZAKVPNWBI-RNFRBKRXSA-N 1 0 395.084 2.643 20 0 GFADRO Cc1nn(-c2ccccc2Br)cc1C[NH2+]CCCC(=O)N(C)C ZINC000655719610 566083819 /nfs/dbraw/zinc/08/38/19/566083819.db2.gz UDOTUYZANHILJS-UHFFFAOYSA-N 1 0 379.302 2.901 20 0 GFADRO Cc1nn(-c2ccccc2Br)cc1C[NH2+]C[C@@H]1CCCS1(=O)=O ZINC000655748241 566086251 /nfs/dbraw/zinc/08/62/51/566086251.db2.gz UQLVXLYDVRYMKY-AWEZNQCLSA-N 1 0 398.326 2.610 20 0 GFADRO Cc1cc(C)c(Br)c(C(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)c1 ZINC000680868640 566086377 /nfs/dbraw/zinc/08/63/77/566086377.db2.gz FRRYNASWYLYHPM-HOTGVXAUSA-N 1 0 381.314 2.737 20 0 GFADRO Cc1cc(C)c(Br)c(C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)c1 ZINC000680867260 566086835 /nfs/dbraw/zinc/08/68/35/566086835.db2.gz DFLSZCCUEPSQCA-HNNXBMFYSA-N 1 0 394.357 2.964 20 0 GFADRO COCc1cncc(C(=O)NCc2cn3cc(Br)cc(C)c3n2)c1 ZINC000680935742 566087870 /nfs/dbraw/zinc/08/78/70/566087870.db2.gz GJNYCDSDBHTZKQ-UHFFFAOYSA-N 1 0 389.253 2.877 20 0 GFADRO Cc1nn(-c2ccccc2Br)cc1C[NH2+]CC[C@@]1(O)CCOC1 ZINC000655799944 566089637 /nfs/dbraw/zinc/08/96/37/566089637.db2.gz RJQXUBXKNYDSOQ-QGZVFWFLSA-N 1 0 380.286 2.574 20 0 GFADRO C[NH+](C)CCn1nccc1NC(=O)[C@@H]1[C@@H]2Cc3cc(Br)ccc3[C@@H]21 ZINC000633211602 566089841 /nfs/dbraw/zinc/08/98/41/566089841.db2.gz BKQBIUIYZOKJMT-HYVNUMGLSA-N 1 0 389.297 2.732 20 0 GFADRO [NH3+]C[C@@H](NC(=O)N[C@@H](CO)c1ccc(Cl)cc1C(F)(F)F)C(F)(F)F ZINC000655927416 566097011 /nfs/dbraw/zinc/09/70/11/566097011.db2.gz IRTMIWQZAGAJCR-VHSXEESVSA-N 1 0 393.715 2.581 20 0 GFADRO C[NH2+]C[C@H]1CCCN(S(=O)(=O)Cc2cccc(Br)c2C)C1 ZINC000655949228 566098220 /nfs/dbraw/zinc/09/82/20/566098220.db2.gz QEEGQWWVOIGKPH-CYBMUJFWSA-N 1 0 375.332 2.519 20 0 GFADRO Cc1c(Br)cccc1CS(=O)(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000655950909 566098737 /nfs/dbraw/zinc/09/87/37/566098737.db2.gz BFZQRKLILXIXJW-CYBMUJFWSA-N 1 0 375.332 2.648 20 0 GFADRO CC(C)Sc1c(Cl)cccc1NC(=O)C(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000655958071 566099250 /nfs/dbraw/zinc/09/92/50/566099250.db2.gz JDRJVINZTZIIAI-SNVBAGLBSA-N 1 0 383.823 2.785 20 0 GFADRO COc1cc(C[NH+](C)C)ccc1NC(=O)c1cc[nH]c(=O)c1Br ZINC000633375257 566099556 /nfs/dbraw/zinc/09/95/56/566099556.db2.gz ACCQRYRXXGWCTN-UHFFFAOYSA-N 1 0 380.242 2.872 20 0 GFADRO COCC1(CNC(=O)NCc2cccc(Br)c2C)CC[NH2+]CC1 ZINC000655966641 566099809 /nfs/dbraw/zinc/09/98/09/566099809.db2.gz CUNARDCJTAOFLR-UHFFFAOYSA-N 1 0 384.318 2.573 20 0 GFADRO CC1(CNC(=O)N2CCOc3cccc(Br)c3C2)CC[NH2+]CC1 ZINC000655965879 566100053 /nfs/dbraw/zinc/10/00/53/566100053.db2.gz ZKPXRIWYKZCUGX-UHFFFAOYSA-N 1 0 382.302 2.743 20 0 GFADRO O=C(NCCCc1c(Cl)cccc1Cl)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000655972491 566100450 /nfs/dbraw/zinc/10/04/50/566100450.db2.gz FWZFAIUWTISHPM-AWEZNQCLSA-N 1 0 385.339 2.615 20 0 GFADRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1cc2c(cncc2Br)s1 ZINC000633480872 566105510 /nfs/dbraw/zinc/10/55/10/566105510.db2.gz PWZBZTYVZDIXLZ-LLVKDONJSA-N 1 0 398.326 2.635 20 0 GFADRO C[C@@H](C[NH2+]C[C@H](O)COc1ccc(Cl)c(Cl)c1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656153308 566106682 /nfs/dbraw/zinc/10/66/82/566106682.db2.gz OHFKSXJNUAIMEE-XQLPTFJDSA-N 1 0 391.339 2.820 20 0 GFADRO O=C(c1ccccc1Br)N1CCc2[nH]cnc2C12CCOCC2 ZINC000633525449 566107936 /nfs/dbraw/zinc/10/79/36/566107936.db2.gz YELFWSCGOKUALV-UHFFFAOYSA-N 1 0 376.254 2.876 20 0 GFADRO C[NH+](C)CCn1cc(C(=O)Nc2cnc(-c3ccc(Cl)s3)nc2)cn1 ZINC000633561011 566110463 /nfs/dbraw/zinc/11/04/63/566110463.db2.gz ARYMKQFBGOFOLC-UHFFFAOYSA-N 1 0 376.873 2.869 20 0 GFADRO CCOCCOc1ccc(Br)cc1CN[C@@H](C[NH3+])C(F)(F)F ZINC000656195891 566113157 /nfs/dbraw/zinc/11/31/57/566113157.db2.gz HSFFYXBQYKWYOB-ZDUSSCGKSA-N 1 0 385.224 2.844 20 0 GFADRO COCC[NH+]1CCN(Cc2cn(-c3ccccc3Br)nc2C)CC1 ZINC000656248732 566116415 /nfs/dbraw/zinc/11/64/15/566116415.db2.gz ZWTQKGHNYKOTBD-UHFFFAOYSA-N 1 0 393.329 2.707 20 0 GFADRO COCCC[N@H+](CCO)Cc1cn(-c2ccccc2Br)nc1C ZINC000656257482 566119429 /nfs/dbraw/zinc/11/94/29/566119429.db2.gz IYJQZUZYYOOHFI-UHFFFAOYSA-N 1 0 382.302 2.774 20 0 GFADRO Cc1nn(-c2ccccc2Br)cc1C[N@@H+](C[C@H](O)CO)C(C)C ZINC000656264470 566120527 /nfs/dbraw/zinc/12/05/27/566120527.db2.gz KDPMBQWIUGBPON-HNNXBMFYSA-N 1 0 382.302 2.507 20 0 GFADRO Cc1nn(-c2cccc(Br)c2)cc1C[N@H+]1CC[C@H](C(=O)N(C)C)C1 ZINC000656264207 566121112 /nfs/dbraw/zinc/12/11/12/566121112.db2.gz XDVKFWWNFAVDQN-AWEZNQCLSA-N 1 0 391.313 2.853 20 0 GFADRO C[N@H+](CCC(=O)NCC(=O)c1cncc(Br)c1)C1CCCCC1 ZINC000633929920 566130728 /nfs/dbraw/zinc/13/07/28/566130728.db2.gz ARWNEJRMUSJNNQ-UHFFFAOYSA-N 1 0 382.302 2.798 20 0 GFADRO O=C(C[NH2+]C1(CO)CCCCC1)Nc1ccccc1I ZINC000611463106 566131481 /nfs/dbraw/zinc/13/14/81/566131481.db2.gz WCKLZDFULOYCJU-UHFFFAOYSA-N 1 0 388.249 2.515 20 0 GFADRO CC1([NH+]2CCCC2)CCN(C(=O)Cc2cc[nH]c(=O)c2Br)CC1 ZINC000633964045 566132773 /nfs/dbraw/zinc/13/27/73/566132773.db2.gz KPCKCYUCVDKAMC-UHFFFAOYSA-N 1 0 382.302 2.569 20 0 GFADRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1cnc2ncc(Br)cc2c1 ZINC000681960450 566134899 /nfs/dbraw/zinc/13/48/99/566134899.db2.gz IJBAGKZADGHSJU-GJZGRUSLSA-N 1 0 375.270 2.749 20 0 GFADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)c1cnc2ncc(Br)cc2c1 ZINC000681999028 566137100 /nfs/dbraw/zinc/13/71/00/566137100.db2.gz ZNBUUHVTUQHDIJ-HNNXBMFYSA-N 1 0 377.286 2.997 20 0 GFADRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cnc2ncc(Br)cc2c1 ZINC000682000546 566137600 /nfs/dbraw/zinc/13/76/00/566137600.db2.gz DICJYSXFGMLNOU-OAHLLOKOSA-N 1 0 377.286 2.997 20 0 GFADRO CCO[C@@H]1C[C@@](CO)([NH2+]C[C@H](O)COc2ccc(Cl)c(Cl)c2)C1(C)C ZINC000682043205 566141377 /nfs/dbraw/zinc/14/13/77/566141377.db2.gz IOQOVTKTQDZOLI-XZOAIXRZSA-N 1 0 392.323 2.889 20 0 GFADRO CCn1nc2c(cc1=O)C[N@@H+](CCOc1cc(F)cc(Br)c1)CC2 ZINC000682085560 566142937 /nfs/dbraw/zinc/14/29/37/566142937.db2.gz WVHZVVCDKRAXBO-UHFFFAOYSA-N 1 0 396.260 2.602 20 0 GFADRO C[NH+](C)[C@]1(CNC(=O)c2nn(C(C)(C)C)cc2Br)CCSC1 ZINC000611927988 566145625 /nfs/dbraw/zinc/14/56/25/566145625.db2.gz GOHXALLPBVERNC-HNNXBMFYSA-N 1 0 389.363 2.568 20 0 GFADRO C[N@@H+]1CCC[C@H](NC(=O)NCCc2c[nH]c3cccc(Br)c23)C1 ZINC000634133802 566145889 /nfs/dbraw/zinc/14/58/89/566145889.db2.gz YBRWCEUSDBRQQS-ZDUSSCGKSA-N 1 0 379.302 2.866 20 0 GFADRO CO[C@H]1CCC[N@H+](C[C@@H](O)COc2cc(F)cc(Br)c2)CC1 ZINC000682218386 566147542 /nfs/dbraw/zinc/14/75/42/566147542.db2.gz HNYITFWYCSISNC-CABCVRRESA-N 1 0 376.266 2.829 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N2CCC[C@H]([NH2+]C(C)C)C2)cc1Br ZINC000682354226 566151382 /nfs/dbraw/zinc/15/13/82/566151382.db2.gz CWHOOUBCGIIEHL-AWEZNQCLSA-N 1 0 396.329 2.993 20 0 GFADRO CS(=O)(=O)C1(C[NH2+]C[C@H](O)COCc2ccc(Cl)cc2)CCCCC1 ZINC000656715099 566156807 /nfs/dbraw/zinc/15/68/07/566156807.db2.gz YLJJVKYKGZQRJN-KRWDZBQOSA-N 1 0 389.945 2.555 20 0 GFADRO COc1ccc(CCC(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)c(Br)c1 ZINC000612305422 566158156 /nfs/dbraw/zinc/15/81/56/566158156.db2.gz XEGMQSHHQCVPLC-SJKOYZFVSA-N 1 0 381.314 2.989 20 0 GFADRO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]CCn1ccc(C(F)(F)F)n1 ZINC000634686682 566170181 /nfs/dbraw/zinc/17/01/81/566170181.db2.gz PPGJDWYXRWTFTP-JTQLQIEISA-N 1 0 393.207 2.504 20 0 GFADRO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1cc2cc(Br)sc2[nH]1 ZINC000612657921 566170302 /nfs/dbraw/zinc/17/03/02/566170302.db2.gz DJHUFWGOKAFQJV-NSHDSACASA-N 1 0 386.315 2.569 20 0 GFADRO [NH3+]C[C@@H]1CCN(Cc2cc(=O)n3cc(Br)ccc3n2)c2ccccc21 ZINC000634688789 566170740 /nfs/dbraw/zinc/17/07/40/566170740.db2.gz CURPZESLGBFZCY-ZDUSSCGKSA-N 1 0 399.292 2.910 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CC[NH2+]C[C@@H](O)C[C@](C)(O)C1CC1 ZINC000634703054 566170852 /nfs/dbraw/zinc/17/08/52/566170852.db2.gz OSXSULLCHAHHEK-YJBOKZPZSA-N 1 0 399.329 2.588 20 0 GFADRO Cc1ccc(C(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c(C)c1Br ZINC000682892812 566174734 /nfs/dbraw/zinc/17/47/34/566174734.db2.gz JQCWARPNZZIURN-JKSUJKDBSA-N 1 0 381.314 2.737 20 0 GFADRO C[C@]1(NC(=O)NCc2cc(Br)ccc2Br)CC[NH2+]C1 ZINC000612902103 566179382 /nfs/dbraw/zinc/17/93/82/566179382.db2.gz QBLDQTKUGWKBBQ-ZDUSSCGKSA-N 1 0 391.107 2.763 20 0 GFADRO O=C(N[C@H]1CC12CC[NH2+]CC2)N[C@@H]1CCOc2c(Br)cccc21 ZINC000612990865 566181366 /nfs/dbraw/zinc/18/13/66/566181366.db2.gz YAMSHMYGWOIYKH-KGLIPLIRSA-N 1 0 380.286 2.714 20 0 GFADRO CN(C(=O)N[C@@H]1CC12CC[NH2+]CC2)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000612983561 566181577 /nfs/dbraw/zinc/18/15/77/566181577.db2.gz BHXFMJOVVOIQLW-XHSDSOJGSA-N 1 0 384.307 2.735 20 0 GFADRO CC[NH+](CC)CCO[C@H]1CCN(S(=O)(=O)Cc2cc(F)ccc2Cl)C1 ZINC000656924437 566184618 /nfs/dbraw/zinc/18/46/18/566184618.db2.gz ICJWLMPGZDQIHZ-INIZCTEOSA-N 1 0 392.924 2.742 20 0 GFADRO CC[N@H+](CCNC(=O)N1C[C@@H](C)O[C@H](C(F)(F)F)C1)CCC(F)(F)F ZINC000683157766 566185222 /nfs/dbraw/zinc/18/52/22/566185222.db2.gz QZKJMBGOTWBTAQ-MNOVXSKESA-N 1 0 379.345 2.622 20 0 GFADRO CN(C)[C@@H](C[NH2+][C@@H]1CCCS(=O)(=O)CC1)c1cccc(C(F)(F)F)c1 ZINC000634975517 566186256 /nfs/dbraw/zinc/18/62/56/566186256.db2.gz AKLNAESZPIZRHY-CVEARBPZSA-N 1 0 378.460 2.865 20 0 GFADRO CN(C)C[C@H]([NH2+][C@H]1CCCS(=O)(=O)CC1)c1cccc(C(F)(F)F)c1 ZINC000634988464 566188328 /nfs/dbraw/zinc/18/83/28/566188328.db2.gz XVQJRJHWWDOFJD-HOTGVXAUSA-N 1 0 378.460 2.865 20 0 GFADRO CN(C(=O)c1cccc(Br)c1F)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000683243747 566190403 /nfs/dbraw/zinc/19/04/03/566190403.db2.gz HHEPJTRTFZGXAY-CQSZACIVSA-N 1 0 398.320 2.829 20 0 GFADRO C[N@@H+]1CC[C@H]2CCN(S(=O)(=O)c3cc(Cl)cc(Br)c3)[C@@H]2C1 ZINC000656953293 566192495 /nfs/dbraw/zinc/19/24/95/566192495.db2.gz JVUPMBBCNSHZFT-IINYFYTJSA-N 1 0 393.734 2.817 20 0 GFADRO Cn1cc(CCC[NH2+][C@H]2CCN(c3cccc(Br)c3)C2=O)cn1 ZINC000683340034 566194774 /nfs/dbraw/zinc/19/47/74/566194774.db2.gz CWDYRKUWQPCGBO-INIZCTEOSA-N 1 0 377.286 2.510 20 0 GFADRO CCC(=O)N1CCC([NH2+][C@H]2CCN(c3cccc(Br)c3)C2=O)CC1 ZINC000683340248 566194802 /nfs/dbraw/zinc/19/48/02/566194802.db2.gz GDDPFCHOLIYDNF-INIZCTEOSA-N 1 0 394.313 2.545 20 0 GFADRO Cc1cc(Br)c(S(=O)(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)s1 ZINC000657060138 566214489 /nfs/dbraw/zinc/21/44/89/566214489.db2.gz FKVQQVWYPLKLAU-JTQLQIEISA-N 1 0 381.361 2.970 20 0 GFADRO C[C@@H]1COCC[C@H]1[NH2+]Cc1nnnn1-c1ccc(Cl)cc1C(F)(F)F ZINC000683372425 566196335 /nfs/dbraw/zinc/19/63/35/566196335.db2.gz GRKBXTQGHFPWJM-BXKDBHETSA-N 1 0 375.782 2.849 20 0 GFADRO O=C(Nc1cscc1Cl)C(=O)Nc1cccc(C[N@H+]2CC[C@H](O)C2)c1 ZINC000635169939 566197751 /nfs/dbraw/zinc/19/77/51/566197751.db2.gz ACXLLOMDLNRHBH-ZDUSSCGKSA-N 1 0 379.869 2.545 20 0 GFADRO Nc1c(Cl)c(F)cc(C(=O)N2CCC(C[NH+]3CCOCC3)CC2)c1Cl ZINC000635335221 566206682 /nfs/dbraw/zinc/20/66/82/566206682.db2.gz ISFMIFWABFYCGW-UHFFFAOYSA-N 1 0 390.286 2.899 20 0 GFADRO CS(=O)(=O)[C@@H]1CCCCN(Cc2cnn(Cc3ccccc3Cl)c2)C1 ZINC000683723448 566210309 /nfs/dbraw/zinc/21/03/09/566210309.db2.gz CFJQQNDVQWCSCB-QGZVFWFLSA-N 1 0 381.929 2.984 20 0 GFADRO NC(=O)Cc1ccc(C[NH2+]Cc2cnn(-c3ccc(Br)cc3)c2)cc1 ZINC000683706659 566210425 /nfs/dbraw/zinc/21/04/25/566210425.db2.gz NTHDRGLRJYBBGH-UHFFFAOYSA-N 1 0 399.292 2.952 20 0 GFADRO COc1ccc(S(=O)(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)c(Br)c1 ZINC000657063194 566216212 /nfs/dbraw/zinc/21/62/12/566216212.db2.gz VKHURMWXWZYRQX-NSHDSACASA-N 1 0 391.331 2.609 20 0 GFADRO C[C@@H](NC(=O)N1CC[C@H](n2cc(C[NH3+])nn2)C1)c1ccc(Cl)cc1Cl ZINC000635527899 566217844 /nfs/dbraw/zinc/21/78/44/566217844.db2.gz XSTHJFVRRJUIBY-MFKMUULPSA-N 1 0 383.283 2.761 20 0 GFADRO Nc1c(Cl)c(F)cc(C(=O)NCCCC[N@@H+]2CCC[C@H]2CO)c1Cl ZINC000635712139 566223348 /nfs/dbraw/zinc/22/33/48/566223348.db2.gz WWLHJSVZXCJDII-JTQLQIEISA-N 1 0 378.275 2.681 20 0 GFADRO COc1ccc(S(=O)(=O)N2CCC(C[NH+]3CCCCC3)CC2)cc1OC ZINC000032951785 570427741 /nfs/dbraw/zinc/42/77/41/570427741.db2.gz OADCHQOJEMWGHD-UHFFFAOYSA-N 1 0 382.526 2.590 20 0 GFADRO CCC[N@H+](CCc1cccc(F)c1)CC(=O)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000736478419 598832848 /nfs/dbraw/zinc/83/28/48/598832848.db2.gz ABUQVRSAVLRMGB-UHFFFAOYSA-N 1 0 382.443 2.899 20 0 GFADRO C[C@@]1(C[NH2+]Cc2cccc(OCc3cccc(-c4nn[nH]n4)c3)c2)CCOC1 ZINC000736216495 598837163 /nfs/dbraw/zinc/83/71/63/598837163.db2.gz JYSBEHWFZZNLSA-NRFANRHFSA-N 1 0 379.464 2.962 20 0 GFADRO C[C@H]([NH2+]Cc1cccc(-c2nn[nH]n2)c1)c1cc(F)ccc1N1CCC(O)CC1 ZINC000736133524 598837571 /nfs/dbraw/zinc/83/75/71/598837571.db2.gz HNPKNBHWQHOGGY-AWEZNQCLSA-N 1 0 396.470 2.818 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)C=Cc2ccccc2-c2nn[nH]n2)C1 ZINC000736268328 598868400 /nfs/dbraw/zinc/86/84/00/598868400.db2.gz SVLAGDHRZANECP-HGFSOSMJSA-N 1 0 394.523 2.993 20 0 GFADRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)Nc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000736265875 598876885 /nfs/dbraw/zinc/87/68/85/598876885.db2.gz DQFJAVNQLSFILF-JKSUJKDBSA-N 1 0 383.500 2.985 20 0 GFADRO C[C@H](NC(=O)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)C1CCCC1 ZINC000736115132 598878226 /nfs/dbraw/zinc/87/82/26/598878226.db2.gz XGHQAQNENDHISB-INIZCTEOSA-N 1 0 397.527 2.663 20 0 GFADRO C[N@H+](CCC(=O)Nc1ccccc1-c1nn[nH]n1)[C@H]1CCc2ccccc2C1 ZINC000736792389 598916646 /nfs/dbraw/zinc/91/66/46/598916646.db2.gz MMWXSQVCKZPTME-KRWDZBQOSA-N 1 0 376.464 2.685 20 0 GFADRO CC[N@H+](C[C@@H](O)COCc1ccccc1)[C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000736554676 598922961 /nfs/dbraw/zinc/92/29/61/598922961.db2.gz ATUOXGKVMNKFMX-OXQOHEQNSA-N 1 0 381.480 2.827 20 0 GFADRO CC1CCC(=CC(=O)N(CC[NH+](C)C)Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736237930 598927524 /nfs/dbraw/zinc/92/75/24/598927524.db2.gz QOHOLMDHFGKXSO-UHFFFAOYSA-N 1 0 382.512 2.893 20 0 GFADRO Clc1cc(-c2nn[nH]n2)cnc1N1CCC([NH2+]CCOc2ccccc2)CC1 ZINC000737560853 598933533 /nfs/dbraw/zinc/93/35/33/598933533.db2.gz CYVLEELGZJXMSO-UHFFFAOYSA-N 1 0 399.886 2.553 20 0 GFADRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000736290980 599011718 /nfs/dbraw/zinc/01/17/18/599011718.db2.gz SRAVWMLDIZYFMZ-MRXNPFEDSA-N 1 0 391.479 2.995 20 0 GFADRO CSC[C@@H](CCO)[NH2+]Cc1cccc(OCc2cccc(-c3nn[nH]n3)c2)c1 ZINC000737175770 599010864 /nfs/dbraw/zinc/01/08/64/599010864.db2.gz HFXONQHIMZPCQU-GOSISDBHSA-N 1 0 399.520 2.649 20 0 GFADRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000736288527 599011936 /nfs/dbraw/zinc/01/19/36/599011936.db2.gz IQATVHTYJQPUCE-MRXNPFEDSA-N 1 0 391.479 2.995 20 0 GFADRO CC[NH+](CC)CCNC(=O)c1ccc(OCc2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000736531513 599012918 /nfs/dbraw/zinc/01/29/18/599012918.db2.gz YANGPLKMCOYOPA-UHFFFAOYSA-N 1 0 394.479 2.517 20 0 GFADRO CCC(CC)(CNC(=O)c1ccc(-c2nn[nH]n2)nc1)[NH2+][C@H](C)c1ccccc1 ZINC000736333576 599032832 /nfs/dbraw/zinc/03/28/32/599032832.db2.gz AUOGPWMEKFQNCZ-OAHLLOKOSA-N 1 0 393.495 2.901 20 0 GFADRO C[C@H]1C[C@H](Nc2c(-c3nn[nH]n3)cnc3c(F)ccc(Cl)c32)CC[N@@H+]1C ZINC000820666807 599035448 /nfs/dbraw/zinc/03/54/48/599035448.db2.gz KEYJBRLVYKRUHV-VHSXEESVSA-N 1 0 375.839 2.524 20 0 GFADRO C[C@@H]1C[N@H+](C(C)(C)CNc2nc(C(F)(F)F)ccc2-c2nn[nH]n2)C[C@H](C)O1 ZINC000736289074 599041236 /nfs/dbraw/zinc/04/12/36/599041236.db2.gz CKKBZSPRTIXZAP-PHIMTYICSA-N 1 0 399.421 2.580 20 0 GFADRO FC(F)(F)c1ccc(-c2nn[nH]n2)c(N2CC[NH+](CC3CCCCC3)CC2)n1 ZINC000737632155 599049822 /nfs/dbraw/zinc/04/98/22/599049822.db2.gz KUHQRYZCVXONKO-UHFFFAOYSA-N 1 0 395.433 2.983 20 0 GFADRO COC(=O)CC(C)(C)[NH2+]Cc1cccc(OCc2ccccc2-c2nn[nH]n2)c1 ZINC000736912598 599052721 /nfs/dbraw/zinc/05/27/21/599052721.db2.gz QDMICNYDRLPCKU-UHFFFAOYSA-N 1 0 395.463 2.877 20 0 GFADRO O=C(OCc1ccccc1-c1nn[nH]n1)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000738235958 599058212 /nfs/dbraw/zinc/05/82/12/599058212.db2.gz ZAISJVBMIMGYBE-MRXNPFEDSA-N 1 0 395.438 2.961 20 0 GFADRO C[C@@H]([NH2+][C@H]1CCCN(c2cccc(F)c2)C1=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000736134940 599090676 /nfs/dbraw/zinc/09/06/76/599090676.db2.gz WPLRSOJNEVLOBR-ACJLOTCBSA-N 1 0 380.427 2.852 20 0 GFADRO CN(C(=O)c1cccc(Oc2ccc(-c3nn[nH]n3)cc2)c1)[C@H]1CCC[N@H+](C)C1 ZINC000736857357 599090870 /nfs/dbraw/zinc/09/08/70/599090870.db2.gz NDIZZXROVKQCJE-KRWDZBQOSA-N 1 0 392.463 2.825 20 0 GFADRO C[C@@H]([NH2+][C@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1)C12CC3CC(CC(C3)C1)C2 ZINC000736126412 599099889 /nfs/dbraw/zinc/09/98/89/599099889.db2.gz NECWHEJAASOZTB-ZQSXBLPCSA-N 1 0 380.496 2.588 20 0 GFADRO Cc1cccc([C@H](C)[NH2+][C@H]2CCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)c1C ZINC000737391328 599100753 /nfs/dbraw/zinc/10/07/53/599100753.db2.gz ZWJCZZYVYWZGHX-KXBFYZLASA-N 1 0 376.464 2.940 20 0 GFADRO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+]2C[C@@H]3[C@H](C2)C3(C)C)c1-c1nn[nH]n1 ZINC000737201679 599146861 /nfs/dbraw/zinc/14/68/61/599146861.db2.gz GTJUYYXOPLUOQL-IYBDPMFKSA-N 1 0 397.527 2.926 20 0 GFADRO C[NH+](C)CCNC(=O)c1cccc(Oc2ccc(Cl)cc2-c2nn[nH]n2)c1 ZINC000736768273 599214362 /nfs/dbraw/zinc/21/43/62/599214362.db2.gz CDGSKXVMISVPEA-UHFFFAOYSA-N 1 0 386.843 2.604 20 0 GFADRO C[C@@H]1CCN(C(=O)c2ccc(-c3nn[nH]n3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000820717610 599217524 /nfs/dbraw/zinc/21/75/24/599217524.db2.gz SXWRLBBCIIHWRP-MRXNPFEDSA-N 1 0 376.464 2.603 20 0 GFADRO C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)CCCCOc1cccc(-c2nn[nH]n2)c1 ZINC000736295495 599226490 /nfs/dbraw/zinc/22/64/90/599226490.db2.gz VFMSDUOBUWILPE-FUHWJXTLSA-N 1 0 398.511 2.501 20 0 GFADRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000821599045 599247232 /nfs/dbraw/zinc/24/72/32/599247232.db2.gz DDTAQXPASYKYOI-CYBMUJFWSA-N 1 0 377.880 2.858 20 0 GFADRO Cc1cc(F)cc2c1ncc(-c1nn[nH]n1)c2NC[C@@H](c1ccccc1)[NH+](C)C ZINC000737263204 599255429 /nfs/dbraw/zinc/25/54/29/599255429.db2.gz MKGLKKWUNRDOEL-SFHVURJKSA-N 1 0 391.454 2.999 20 0 GFADRO CC(C)C[NH+]1CCC(Nc2c(-c3nn[nH]n3)cnc3c(F)ccc(F)c32)CC1 ZINC000735835972 599263136 /nfs/dbraw/zinc/26/31/36/599263136.db2.gz UWDVOTYDOXQQEA-UHFFFAOYSA-N 1 0 387.438 2.647 20 0 GFADRO CCc1ccccc1C(=O)N(CC[NH+](C)C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000821492172 607310654 /nfs/dbraw/zinc/31/06/54/607310654.db2.gz JGZVMMKAVWWSCE-UHFFFAOYSA-N 1 0 378.480 2.633 20 0 GFADRO CC[NH+](CC)CCNC(=O)c1cccc(NCc2cc(-c3nn[nH]n3)cs2)c1 ZINC000821188627 607312392 /nfs/dbraw/zinc/31/23/92/607312392.db2.gz BFCMKBNAUQYAJY-UHFFFAOYSA-N 1 0 399.524 2.612 20 0 GFADRO CC[NH+](CC)CCNC(=O)c1cccc(NCc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000821188895 607312568 /nfs/dbraw/zinc/31/25/68/607312568.db2.gz FEUOSOKYQTWLFW-UHFFFAOYSA-N 1 0 393.495 2.550 20 0 GFADRO COc1ccc(CNc2cccc(OCCC[NH+](C)C)c2)cc1-c1nn[nH]n1 ZINC000821824886 607317145 /nfs/dbraw/zinc/31/71/45/607317145.db2.gz PQOIJOJVXPCVHF-UHFFFAOYSA-N 1 0 382.468 2.818 20 0 GFADRO c1ccc(C[N@@H+]2CCC[C@H](Nc3c(-c4nn[nH]n4)cnc4ccccc43)C2)cc1 ZINC000738432609 599274519 /nfs/dbraw/zinc/27/45/19/599274519.db2.gz JXMVEKIABALHHC-KRWDZBQOSA-N 1 0 385.475 2.913 20 0 GFADRO O=C(Nc1ccc(-c2nn[nH]n2)c(C(F)(F)F)c1)N1CC[NH+](C2CCC2)CC1 ZINC000823303663 599289910 /nfs/dbraw/zinc/28/99/10/599289910.db2.gz QBRVADJMUCDAMH-UHFFFAOYSA-N 1 0 395.389 2.588 20 0 GFADRO O=C(C[NH2+][C@H](c1ccccc1)C1CCC1)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000737891151 598248522 /nfs/dbraw/zinc/24/85/22/598248522.db2.gz HKVQMZWDKRVZAW-HXUWFJFHSA-N 1 0 376.464 2.614 20 0 GFADRO CC(C)Oc1cccc(C[NH+]2CCN(c3ccccc3-c3nn[nH]n3)CC2)c1 ZINC000735913742 598251110 /nfs/dbraw/zinc/25/11/10/598251110.db2.gz PORJRDCUQYVQPZ-UHFFFAOYSA-N 1 0 378.480 2.976 20 0 GFADRO O=C(Nc1cccc(F)c1)C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000738183965 598251918 /nfs/dbraw/zinc/25/19/18/598251918.db2.gz QCFWGQXYVFYULD-UHFFFAOYSA-N 1 0 380.427 2.857 20 0 GFADRO C[C@H]1C[NH+](CCCNc2ccc(-c3nn[nH]n3)cc2C(F)(F)F)C[C@H](C)O1 ZINC000736284655 598274932 /nfs/dbraw/zinc/27/49/32/598274932.db2.gz CHHSGHRMQXCLIC-RYUDHWBXSA-N 1 0 384.406 2.797 20 0 GFADRO CC(C)[C@@H](CNc1ccc(-c2nn[nH]n2)c(C(F)(F)F)c1)[NH+]1CCOCC1 ZINC000735706712 598274961 /nfs/dbraw/zinc/27/49/61/598274961.db2.gz CPFDXGFLRSFPGK-OAHLLOKOSA-N 1 0 384.406 2.654 20 0 GFADRO COc1ccc(C[N@@H+]2CCCN(c3ccc(Cl)c(-c4nn[nH]n4)n3)CC2)cc1 ZINC000737090133 598275387 /nfs/dbraw/zinc/27/53/87/598275387.db2.gz BMFPSNDOOSYUPW-UHFFFAOYSA-N 1 0 399.886 2.636 20 0 GFADRO CCCC[NH+]1CCC(NC(=O)Nc2cc(-c3nn[nH]n3)cn2C(C)(C)C)CC1 ZINC000736458255 598281143 /nfs/dbraw/zinc/28/11/43/598281143.db2.gz YRXAPMIPSDDHIV-UHFFFAOYSA-N 1 0 388.520 2.809 20 0 GFADRO CC[NH+]1CCC(CNC(=O)N(Cc2ccc(-c3nn[nH]n3)cc2)CC(C)C)CC1 ZINC000736565854 598303816 /nfs/dbraw/zinc/30/38/16/598303816.db2.gz SCZOKIYRQZFARD-UHFFFAOYSA-N 1 0 399.543 2.766 20 0 GFADRO CC(C)[NH+](CCNC(=S)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)C(C)C ZINC000735860825 598316474 /nfs/dbraw/zinc/31/64/74/598316474.db2.gz OHUBHEMSGDCTNC-UHFFFAOYSA-N 1 0 381.937 2.925 20 0 GFADRO c1csc(C[N@H+](CCOc2ccc(-c3nn[nH]n3)cc2)C[C@@H]2CCCO2)c1 ZINC000738453017 598407150 /nfs/dbraw/zinc/40/71/50/598407150.db2.gz SRJDTMNWZZANNC-KRWDZBQOSA-N 1 0 385.493 2.988 20 0 GFADRO Cc1nc(C)c([C@@H](C)[N@H+](C)CCC(=O)Nc2ccc(-c3nn[nH]n3)cc2)s1 ZINC000737469918 598407627 /nfs/dbraw/zinc/40/76/27/598407627.db2.gz DZCWLNOWKVLYJS-GFCCVEGCSA-N 1 0 385.497 2.962 20 0 GFADRO CC(C)N(C(=S)NCC(C)(C)C[NH+](C)C)c1cccc(-c2nn[nH]n2)c1 ZINC000735856105 598416177 /nfs/dbraw/zinc/41/61/77/598416177.db2.gz CMMDCGBTOYWFMB-UHFFFAOYSA-N 1 0 375.546 2.544 20 0 GFADRO CC[C@@H](C)[N@H+](C)CCNC(=O)c1ccccc1-c1ccccc1-c1nn[nH]n1 ZINC000736322105 598424528 /nfs/dbraw/zinc/42/45/28/598424528.db2.gz IAFPQJLKCYQACI-OAHLLOKOSA-N 1 0 378.480 2.994 20 0 GFADRO CC(C)N(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000736265641 598428323 /nfs/dbraw/zinc/42/83/23/598428323.db2.gz KNILZIUOYYGHIC-SJORKVTESA-N 1 0 399.543 2.907 20 0 GFADRO CC(C)N(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000736275005 598428754 /nfs/dbraw/zinc/42/87/54/598428754.db2.gz FJAXDCAEVRMWPF-UHFFFAOYSA-N 1 0 399.543 2.909 20 0 GFADRO Clc1cc(NCC2([NH+]3CCOCC3)CCCCC2)ccc1-c1nn[nH]n1 ZINC000737565668 598506832 /nfs/dbraw/zinc/50/68/32/598506832.db2.gz NZROIFZPWPICIW-UHFFFAOYSA-N 1 0 376.892 2.967 20 0 GFADRO O[C@H](c1ccc(F)cc1)C1CC[NH+](CCOc2ccccc2-c2nn[nH]n2)CC1 ZINC000738389722 598507620 /nfs/dbraw/zinc/50/76/20/598507620.db2.gz ZIZCDNXLLJJNRP-HXUWFJFHSA-N 1 0 397.454 2.830 20 0 GFADRO CCC(CC)[C@@H]([NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1ccccc1 ZINC000736338615 598524594 /nfs/dbraw/zinc/52/45/94/598524594.db2.gz YYORELRRMQUASA-RDTXWAMCSA-N 1 0 380.500 2.872 20 0 GFADRO C[C@@H]([NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1cc(Cl)ccc1Cl ZINC000736137333 598527290 /nfs/dbraw/zinc/52/72/90/598527290.db2.gz WUCHXFUYGBXNEW-ZJUUUORDSA-N 1 0 393.282 2.763 20 0 GFADRO C[C@H]([NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1cc2ccccc2s1 ZINC000736137250 598531652 /nfs/dbraw/zinc/53/16/52/598531652.db2.gz WJJIMIASIZOMQX-RYUDHWBXSA-N 1 0 380.481 2.670 20 0 GFADRO CC[NH+](CC)CC(=O)Nc1ccc(OCc2cccc(-c3nn[nH]n3)c2)cc1 ZINC000736534470 598549564 /nfs/dbraw/zinc/54/95/64/598549564.db2.gz OYYMISYXFDKRJD-UHFFFAOYSA-N 1 0 380.452 2.726 20 0 GFADRO CC[N@H+](CC(=O)Nc1ccc(-c2nn[nH]n2)cc1)[C@@H](C)Cc1ccc(OC)cc1 ZINC000736510643 598557666 /nfs/dbraw/zinc/55/76/66/598557666.db2.gz DPQJEIHTTZCADB-HNNXBMFYSA-N 1 0 394.479 2.767 20 0 GFADRO C[C@H](CNC(=O)Nc1ccc(Oc2cccc(-c3nn[nH]n3)c2)cc1)[NH+](C)C ZINC000736017948 598564447 /nfs/dbraw/zinc/56/44/47/598564447.db2.gz SORKTOZHYATRQE-CYBMUJFWSA-N 1 0 381.440 2.731 20 0 GFADRO CC[N@H+](Cc1ccc(F)cc1-c1nn[nH]n1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000736558639 598621403 /nfs/dbraw/zinc/62/14/03/598621403.db2.gz OPOFTAOEOHKUPH-GOSISDBHSA-N 1 0 380.427 2.633 20 0 GFADRO COc1ccc2c(c1)CCC[N@@H+](CCC(=O)Nc1sccc1-c1nn[nH]n1)C2 ZINC000737119027 598685452 /nfs/dbraw/zinc/68/54/52/598685452.db2.gz KPUPBBDKXSPBPU-UHFFFAOYSA-N 1 0 398.492 2.714 20 0 GFADRO CC[N@H+](CC(=O)NCc1cccc(C)c1)[C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000736511542 598700283 /nfs/dbraw/zinc/70/02/83/598700283.db2.gz SFONFGRVZGVXNO-MRXNPFEDSA-N 1 0 378.480 2.874 20 0 GFADRO CN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)NCCCCC[NH+]1CCCCC1 ZINC000736819701 598717564 /nfs/dbraw/zinc/71/75/64/598717564.db2.gz HTCQSKAJGWUUOO-UHFFFAOYSA-N 1 0 385.516 2.664 20 0 GFADRO CN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)NCCCCC[NH+]1CCCCC1 ZINC000736814788 598717901 /nfs/dbraw/zinc/71/79/01/598717901.db2.gz UCFGJRDUMJLJHB-UHFFFAOYSA-N 1 0 385.516 2.664 20 0 GFADRO CC[NH+](CC)C[C@@H](C)NC(=O)c1ccc(Oc2ccc(-c3nn[nH]n3)cn2)cc1 ZINC000736534474 598719842 /nfs/dbraw/zinc/71/98/42/598719842.db2.gz OZDNLSFLSUVCIP-CQSZACIVSA-N 1 0 395.467 2.514 20 0 GFADRO O=C(NCc1ccc(-c2nn[nH]n2)cc1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000738101145 598726265 /nfs/dbraw/zinc/72/62/65/598726265.db2.gz FXAGFOBFTDDIEN-SFHVURJKSA-N 1 0 397.527 2.664 20 0 GFADRO O=C(CC[NH+]1CCC(Oc2ccc(-c3nn[nH]n3)cc2)CC1)Nc1ccccc1 ZINC000737838897 598766063 /nfs/dbraw/zinc/76/60/63/598766063.db2.gz OORLTMNETHIFAA-UHFFFAOYSA-N 1 0 392.463 2.739 20 0 GFADRO CC(C)[N@H+](CCOc1cccc(-c2nn[nH]n2)c1)CC(=O)Nc1ccc(F)cc1 ZINC000735860611 598766501 /nfs/dbraw/zinc/76/65/01/598766501.db2.gz JFFZGPUAAUEHBI-UHFFFAOYSA-N 1 0 398.442 2.734 20 0 GFADRO CCCC[N@H+](C)CCNC(=O)Nc1cc(-c2nn[nH]n2)ccc1OC(C)C ZINC000736453494 598783976 /nfs/dbraw/zinc/78/39/76/598783976.db2.gz NRUSSJPWLPPHQS-UHFFFAOYSA-N 1 0 375.477 2.507 20 0 GFADRO O=C(NCc1ccccc1C[NH+]1CCCCCC1)c1ccc(-c2nn[nH]n2)cn1 ZINC000738115256 598791834 /nfs/dbraw/zinc/79/18/34/598791834.db2.gz ANMPQUBYUDIHKZ-UHFFFAOYSA-N 1 0 391.479 2.568 20 0 GFADRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(Cc2cn3ccccc3c2-c2nn[nH]n2)C1 ZINC000736236423 598810020 /nfs/dbraw/zinc/81/00/20/598810020.db2.gz JPHIWNYZHXYTCM-JZXOWHBKSA-N 1 0 379.512 2.957 20 0 GFADRO CC[C@H](CC(=O)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)C(C)C ZINC000736333422 598815841 /nfs/dbraw/zinc/81/58/41/598815841.db2.gz PZSGFQMKTZLPFP-GOSISDBHSA-N 1 0 384.528 2.973 20 0 GFADRO C[C@H](NC(=O)NC[C@H](c1cccs1)[NH+](C)C)c1cccc(-c2nn[nH]n2)c1 ZINC000820357355 599298738 /nfs/dbraw/zinc/29/87/38/599298738.db2.gz GPXDLBLXNAVTAL-SWLSCSKDSA-N 1 0 385.497 2.591 20 0 GFADRO CC[C@H]([NH2+]CCC(=O)Nc1cccc(-c2nn[nH]n2)c1)c1ccc(OC)cc1 ZINC000820927020 599302279 /nfs/dbraw/zinc/30/22/79/599302279.db2.gz YQFHRXRWJRZZOA-SFHVURJKSA-N 1 0 380.452 2.945 20 0 GFADRO C[C@H](c1ccc(-c2nn[nH]n2)cc1)[N@@H+]1CCCN(C(=O)c2ccccc2F)CC1 ZINC000736199128 599309816 /nfs/dbraw/zinc/30/98/16/599309816.db2.gz VSEDXHYVVGJNAE-OAHLLOKOSA-N 1 0 394.454 2.915 20 0 GFADRO O=C(OCc1ccc(-c2nn[nH]n2)cc1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000738236488 599367618 /nfs/dbraw/zinc/36/76/18/599367618.db2.gz KESMGZTXFOPVRY-LJQANCHMSA-N 1 0 377.448 2.822 20 0 GFADRO COC1CCN(C2(C[NH2+][C@@H](C)c3ccc(-c4nn[nH]n4)cc3)CCCC2)CC1 ZINC000821679822 599376414 /nfs/dbraw/zinc/37/64/14/599376414.db2.gz NTUNIJJDTBVOOC-INIZCTEOSA-N 1 0 384.528 2.941 20 0 GFADRO COc1ccccc1[C@H](C)NC(=O)[C@H](C)[NH2+][C@H](C)c1cccc(-c2nn[nH]n2)c1 ZINC000821882449 599387644 /nfs/dbraw/zinc/38/76/44/599387644.db2.gz BBEDNAVMKNFWPR-ILXRZTDVSA-N 1 0 394.479 2.792 20 0 GFADRO C[C@@H]([NH2+][C@H](C)c1cccc(-c2nn[nH]n2)c1)C(=O)N1CCc2sccc2C1 ZINC000820410733 599388254 /nfs/dbraw/zinc/38/82/54/599388254.db2.gz GBKCQSFBXCWAMT-CHWSQXEVSA-N 1 0 382.493 2.552 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCN(c2ccccc2Cl)C1=O)c1cccc(-c2nn[nH]n2)c1 ZINC000820418886 599390069 /nfs/dbraw/zinc/39/00/69/599390069.db2.gz CIZFLXKOMBMHRS-BLLLJJGKSA-N 1 0 382.855 2.976 20 0 GFADRO COc1ccc(C[NH2+]C[C@@H](c2ccccc2)N2CCCC2)cc1-c1nn[nH]n1 ZINC000821808489 599391282 /nfs/dbraw/zinc/39/12/82/599391282.db2.gz HDFNZUWVOLQGCE-IBGZPJMESA-N 1 0 378.480 2.802 20 0 GFADRO COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[NH2+][C@@H](C)c2cccc(-c3nn[nH]n3)c2)c1C ZINC000821667200 599391614 /nfs/dbraw/zinc/39/16/14/599391614.db2.gz ZMABXRQLBJKULK-AAEUAGOBSA-N 1 0 396.451 2.520 20 0 GFADRO Cc1c(O)ccc2c(C[NH2+][C@H](C)c3cccc(-c4nn[nH]n4)c3)cc(=O)oc12 ZINC000822130637 599392196 /nfs/dbraw/zinc/39/21/96/599392196.db2.gz XXBNZZXOWJTIMO-GFCCVEGCSA-N 1 0 377.404 2.838 20 0 GFADRO COc1ccc(C[NH2+][C@@H](C)c2ccc(-n3ccnc3)cc2)cc1-c1nn[nH]n1 ZINC000821803356 599393108 /nfs/dbraw/zinc/39/31/08/599393108.db2.gz FRHDWYJLILZMQX-AWEZNQCLSA-N 1 0 375.436 2.912 20 0 GFADRO O=C(C[NH+]1CCCCCC1)Nc1ccc(NCc2ccc(-c3nn[nH]n3)o2)cc1 ZINC000822997096 599413165 /nfs/dbraw/zinc/41/31/65/599413165.db2.gz MZAAKPGOMUJABM-UHFFFAOYSA-N 1 0 395.467 2.886 20 0 GFADRO COc1ccc(C[NH2+][C@H](C)c2cccc(N3CCOC3=O)c2)cc1-c1nn[nH]n1 ZINC000821804844 599416401 /nfs/dbraw/zinc/41/64/01/599416401.db2.gz PVYTYILCTJIQFH-CYBMUJFWSA-N 1 0 394.435 2.683 20 0 GFADRO C[C@@H](NC(=O)NCCCC[N@@H+]1CCC[C@H](C)C1)c1cccc(-c2nn[nH]n2)c1 ZINC000820709303 599417537 /nfs/dbraw/zinc/41/75/37/599417537.db2.gz GYBJJLHCRWXLBV-JKSUJKDBSA-N 1 0 385.516 2.739 20 0 GFADRO CC(C)(C)OC(=O)NCCc1ccc(C[NH2+]Cc2ccc(-c3nn[nH]n3)o2)cc1 ZINC000819940270 599421278 /nfs/dbraw/zinc/42/12/78/599421278.db2.gz VGWCZPYPZAJVRS-UHFFFAOYSA-N 1 0 398.467 2.817 20 0 GFADRO COc1ccc(C[NH2+]CC(C)(C)c2ccc3c(c2)OCCO3)cc1-c1nn[nH]n1 ZINC000821808954 599422291 /nfs/dbraw/zinc/42/22/91/599422291.db2.gz KZEWWLOFJNWFPY-UHFFFAOYSA-N 1 0 395.463 2.714 20 0 GFADRO C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)Nc1cc(Cl)ccc1-c1nn[nH]n1 ZINC000736011012 599440437 /nfs/dbraw/zinc/44/04/37/599440437.db2.gz YIDUERZCEZLZTF-AWEZNQCLSA-N 1 0 398.902 2.538 20 0 GFADRO C[C@@H]1C[C@@H]1[C@@H]([NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1ccc(Cl)cc1 ZINC000820666198 599451264 /nfs/dbraw/zinc/45/12/64/599451264.db2.gz HFCFLKGOZRUIMU-LVRJZDEYSA-N 1 0 398.902 2.745 20 0 GFADRO Fc1ccc(-c2nn[nH]n2)cc1C[NH2+]Cc1ccc(OC[C@H]2CCCO2)cc1 ZINC000822761255 599455631 /nfs/dbraw/zinc/45/56/31/599455631.db2.gz FABIESQIJSSFER-GOSISDBHSA-N 1 0 383.427 2.853 20 0 GFADRO C[C@H](C(=O)Nc1cccc(-c2nn[nH]n2)c1)[N@@H+]1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000735558945 599476870 /nfs/dbraw/zinc/47/68/70/599476870.db2.gz IBRVFEMFZRHGCN-GDBMZVCRSA-N 1 0 394.454 2.897 20 0 GFADRO O=C(CC[N@H+]1CC[C@@H](Cc2ccc(F)cc2)C1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000737838194 599478107 /nfs/dbraw/zinc/47/81/07/599478107.db2.gz KEWRUOOKSNSCOO-INIZCTEOSA-N 1 0 394.454 2.899 20 0 GFADRO CCN(CCC[NH2+]Cc1cnc2ccc(-c3nn[nH]n3)cn12)c1ccccc1 ZINC000736537631 599482227 /nfs/dbraw/zinc/48/22/27/599482227.db2.gz OJBSBQKQEAKDEX-UHFFFAOYSA-N 1 0 376.468 2.521 20 0 GFADRO FC(F)(F)c1ccc(CC[NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)cc1 ZINC000737635450 599483240 /nfs/dbraw/zinc/48/32/40/599483240.db2.gz GLFIWFZWZDZVDS-UHFFFAOYSA-N 1 0 387.369 2.866 20 0 GFADRO Cc1cc(F)cc2c1ncc(-c1nn[nH]n1)c2NCC[N@@H+](C)Cc1ccccc1 ZINC000822204320 599491162 /nfs/dbraw/zinc/49/11/62/599491162.db2.gz LPDUARHWOYBSFK-UHFFFAOYSA-N 1 0 391.454 2.828 20 0 GFADRO C[C@@H]1CN(c2ccc(-c3nn[nH]n3)c(Cl)c2)CC[N@@H+]1C[C@@H](O)c1ccccc1 ZINC000820768768 599530928 /nfs/dbraw/zinc/53/09/28/599530928.db2.gz PNLRDDDXJMEUMF-AUUYWEPGSA-N 1 0 398.898 2.764 20 0 GFADRO C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)Nc1ccc(F)cc1-c1nn[nH]n1 ZINC000820261299 599575993 /nfs/dbraw/zinc/57/59/93/599575993.db2.gz MHMPBLSKRDRWNO-HNNXBMFYSA-N 1 0 381.459 2.628 20 0 GFADRO C[N@H+](Cc1nnc(-c2ccc(-c3nn[nH]n3)cc2)o1)[C@H]1CCc2ccccc2C1 ZINC000821617892 599576660 /nfs/dbraw/zinc/57/66/60/599576660.db2.gz HBWNJBFSIWYGRL-SFHVURJKSA-N 1 0 387.447 2.906 20 0 GFADRO c1cc(-c2nnc(C[N@@H+](C[C@@H]3CCCO3)C3CCCC3)o2)ccc1-c1nn[nH]n1 ZINC000823737426 599581742 /nfs/dbraw/zinc/58/17/42/599581742.db2.gz DNLXKWGVXBNOES-KRWDZBQOSA-N 1 0 395.467 2.840 20 0 GFADRO Cc1ccccc1[C@@H]1C[C@H](C)[N@@H+](C[C@@H](O)COc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000737421449 599584677 /nfs/dbraw/zinc/58/46/77/599584677.db2.gz NHLADLIHXZVMKC-QXAKKESOSA-N 1 0 393.491 2.793 20 0 GFADRO COc1ccccc1[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2cccc(-c3nn[nH]n3)c2)C1 ZINC000737145031 599592410 /nfs/dbraw/zinc/59/24/10/599592410.db2.gz APKMRCWDXNZTIJ-GOEBONIOSA-N 1 0 392.463 2.692 20 0 GFADRO COc1cc(-c2nn[nH]n2)ccc1OCC[NH2+]C(C)(C)c1nc(C)c(C)s1 ZINC000821701986 599645702 /nfs/dbraw/zinc/64/57/02/599645702.db2.gz CJTUVJSOQQDWSE-UHFFFAOYSA-N 1 0 388.497 2.852 20 0 GFADRO CC[C@H]1Oc2cc([C@H](C)[NH2+]Cc3ccc(-c4nn[nH]n4)cc3)ccc2NC1=O ZINC000821002648 599647114 /nfs/dbraw/zinc/64/71/14/599647114.db2.gz YFKNYQZLQGWUKV-YVEFUNNKSA-N 1 0 378.436 2.827 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)N(Cc1ccc(-c2nn[nH]n2)cc1)CC(C)C ZINC000821268425 599675824 /nfs/dbraw/zinc/67/58/24/599675824.db2.gz WMOOYSDQJWWTCE-GOSISDBHSA-N 1 0 385.516 2.519 20 0 GFADRO O=C(Nc1ccc(F)c(-c2nn[nH]n2)c1)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000823331846 599700382 /nfs/dbraw/zinc/70/03/82/599700382.db2.gz HUBSHLPZWLDJER-GOSISDBHSA-N 1 0 380.427 2.999 20 0 GFADRO CCC[N@H+](CC)CCNC(=O)Nc1ccc(OC(C)C)c(-c2nn[nH]n2)c1 ZINC000821094476 607424963 /nfs/dbraw/zinc/42/49/63/607424963.db2.gz KFWUBFKVXORKPV-UHFFFAOYSA-N 1 0 375.477 2.507 20 0 GFADRO CN(C(=O)C1CC[NH+](Cc2ccccc2)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000825812566 607433111 /nfs/dbraw/zinc/43/31/11/607433111.db2.gz NBNOJPBIYRARDA-UHFFFAOYSA-N 1 0 376.464 2.742 20 0 GFADRO CC(C)Oc1ccc(NC(=O)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)cc1-c1nn[nH]n1 ZINC000820164727 607432489 /nfs/dbraw/zinc/43/24/89/607432489.db2.gz KYWGOQIYHDKDNV-CJNGLKHVSA-N 1 0 387.488 2.504 20 0 GFADRO CC[NH+]1CCN(c2ccc(C[NH2+][C@H](C(=O)[O-])c3cccc(Cl)c3)cn2)CC1 ZINC000737121513 600424895 /nfs/dbraw/zinc/42/48/95/600424895.db2.gz BNMBWAYNOILDMI-IBGZPJMESA-N 1 0 388.899 2.792 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)NC1(c2cccc(-c3nn[nH]n3)c2)CC1)c1ccsc1 ZINC000825849355 607449926 /nfs/dbraw/zinc/44/99/26/607449926.db2.gz KNWWNHGKPSCXKM-INIZCTEOSA-N 1 0 397.508 2.519 20 0 GFADRO S=C(Nc1ccccc1-c1nn[nH]n1)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000823731727 607462841 /nfs/dbraw/zinc/46/28/41/607462841.db2.gz DVPJMWUKWXISHY-GUYCJALGSA-N 1 0 383.525 2.512 20 0 GFADRO OCCC[N@H+](CCOc1ccc(-c2nn[nH]n2)cc1)Cc1cccc(Cl)c1 ZINC000826509699 607474101 /nfs/dbraw/zinc/47/41/01/607474101.db2.gz FXLXANFGCDFSNG-UHFFFAOYSA-N 1 0 387.871 2.784 20 0 GFADRO CCN(CCC[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)C(=O)OC(C)(C)C ZINC000821206311 607479154 /nfs/dbraw/zinc/47/91/54/607479154.db2.gz ALZUUMAQSXAPEW-UHFFFAOYSA-N 1 0 378.452 2.743 20 0 GFADRO CC(C)c1ncc(C(=O)N(CC[NH+](C)C)Cc2ccc(-c3nn[nH]n3)cc2)s1 ZINC000820206511 607497775 /nfs/dbraw/zinc/49/77/75/607497775.db2.gz NZLXKKNCJXOXSR-UHFFFAOYSA-N 1 0 399.524 2.651 20 0 GFADRO COc1ccc(C[N@@H+]2CCC[C@H]2C[C@H](O)c2ccccc2)cc1-c1nn[nH]n1 ZINC000826194418 607508441 /nfs/dbraw/zinc/50/84/41/607508441.db2.gz LEEIGDKIGFKOCA-HKUYNNGSSA-N 1 0 379.464 2.963 20 0 GFADRO O[C@H](C[N@H+](Cc1ccccc1)Cc1ccnc(-c2nn[nH]n2)c1)c1ccco1 ZINC000826502894 607513112 /nfs/dbraw/zinc/51/31/12/607513112.db2.gz MEFDCHBOVCZTSA-GOSISDBHSA-N 1 0 376.420 2.591 20 0 GFADRO COc1ccc(C[NH2+]Cc2cn(-c3ccccc3)nc2C)cc1-c1nn[nH]n1 ZINC000826202891 607567843 /nfs/dbraw/zinc/56/78/43/607567843.db2.gz RKFYJUXACGUFAR-UHFFFAOYSA-N 1 0 375.436 2.659 20 0 GFADRO O=C([O-])Nc1ccc(C[NH2+]CC2CC[NH+](C[C@@H](O)c3ccccc3)CC2)cn1 ZINC000832841490 603550734 /nfs/dbraw/zinc/55/07/34/603550734.db2.gz CTMDSRBVFTWACG-LJQANCHMSA-N 1 0 384.480 2.707 20 0 GFADRO Cc1cc(-c2nn[nH]n2)ccc1C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000826248174 607666536 /nfs/dbraw/zinc/66/65/36/607666536.db2.gz YSZVHJMWSLCASC-UHFFFAOYSA-N 1 0 394.454 2.709 20 0 GFADRO CC[C@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1c1ncccc1-c1nn[nH]n1 ZINC000825059579 607679683 /nfs/dbraw/zinc/67/96/83/607679683.db2.gz HEORDFHTKGPSRK-HNAYVOBHSA-N 1 0 392.511 2.702 20 0 GFADRO Cc1cccc2c1ncc(-c1nn[nH]n1)c2N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000826304351 607735219 /nfs/dbraw/zinc/73/52/19/607735219.db2.gz IIFVKPOWUQZSHF-UHFFFAOYSA-N 1 0 395.511 2.518 20 0 GFADRO O=C([O-])CCC[NH+]1CCC([NH2+]C[C@H](O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000833773092 605222705 /nfs/dbraw/zinc/22/27/05/605222705.db2.gz IGXGUMLIPIPDFJ-INIZCTEOSA-N 1 0 375.296 2.946 20 0 GFADRO O=C([O-])CCC[NH+]1CCC([NH2+][C@H]2CCN(c3ccc(Cl)c(F)c3)C2)CC1 ZINC000833774155 605229366 /nfs/dbraw/zinc/22/93/66/605229366.db2.gz YRSNBVSSXHTPAV-HNNXBMFYSA-N 1 0 383.895 2.977 20 0 GFADRO C[C@@H]1C[N@@H+]([C@@H](C(=O)[O-])c2ccccc2C(F)(F)F)CC[C@H]1N1CC[NH+](C)CC1 ZINC000833623105 605267641 /nfs/dbraw/zinc/26/76/41/605267641.db2.gz OQBIYKFARGAKJE-ZTFGCOKTSA-N 1 0 399.457 2.789 20 0 GFADRO O=C([O-])NC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000834222623 605698740 /nfs/dbraw/zinc/69/87/40/605698740.db2.gz ONCAQUYCZGESPR-ICSRJNTNSA-N 1 0 375.513 2.559 20 0 GFADRO Cc1oc(-n2cccc2)c(-c2nn[nH]n2)c1C(=O)NCCC[NH+](C(C)C)C(C)C ZINC000822540746 606031227 /nfs/dbraw/zinc/03/12/27/606031227.db2.gz FWOAQUCWBOLSTO-UHFFFAOYSA-N 1 0 399.499 2.798 20 0 GFADRO C[C@@H]1[C@H](Cc2ccccc2)CC[N@@H+]1CC(=O)Nc1sccc1-c1nn[nH]n1 ZINC000820643274 606112552 /nfs/dbraw/zinc/11/25/52/606112552.db2.gz SUXNGXMMWRNMAT-HIFRSBDPSA-N 1 0 382.493 2.820 20 0 GFADRO Cc1ccc(CNC(=O)C2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)cc1 ZINC000822237126 606160156 /nfs/dbraw/zinc/16/01/56/606160156.db2.gz GNLQYBQWXJSLRD-UHFFFAOYSA-N 1 0 390.491 2.704 20 0 GFADRO C[C@@H]1CC[N@H+](CCS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)[C@H]2CCCC[C@@H]12 ZINC000820723126 606189261 /nfs/dbraw/zinc/18/92/61/606189261.db2.gz WMDSXKZQZLYQKY-JLSDUUJJSA-N 1 0 389.525 2.541 20 0 GFADRO Fc1ccc(CN2CCC([NH2+]Cc3cc(-c4nn[nH]n4)cs3)CC2)cc1F ZINC000822767170 606211803 /nfs/dbraw/zinc/21/18/03/606211803.db2.gz YQNKIECAPXNVPF-UHFFFAOYSA-N 1 0 390.463 2.961 20 0 GFADRO CCC(CC)(CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)[NH2+][C@@H](C)c1ccccc1 ZINC000820887947 606272141 /nfs/dbraw/zinc/27/21/41/606272141.db2.gz YMRNJUYROLPJMS-AWEZNQCLSA-N 1 0 381.484 2.834 20 0 GFADRO O=C(c1cc(-c2nn[nH]n2)c[nH]1)N(CC[NH+]1CCCC1)Cc1ccc(Cl)cc1 ZINC000823460549 606321010 /nfs/dbraw/zinc/32/10/10/606321010.db2.gz PPOWGQKFIAKABH-UHFFFAOYSA-N 1 0 399.886 2.586 20 0 GFADRO C[C@@H]1C[C@H](c2ccccc2)C[N@@H+]1[C@H]1CCN(c2sccc2-c2nn[nH]n2)C1=O ZINC000820666744 606322373 /nfs/dbraw/zinc/32/23/73/606322373.db2.gz JIDRPEVAMYQEIR-KMFMINBZSA-N 1 0 394.504 2.912 20 0 GFADRO COC(=O)[C@H](c1cccc(-c2nn[nH]n2)c1)[N@@H+]1CC[C@@H](c2ccccc2)[C@@H]1C ZINC000821652023 606336215 /nfs/dbraw/zinc/33/62/15/606336215.db2.gz KVTGLXLQZKRYKN-KYNGSXCRSA-N 1 0 377.448 2.959 20 0 GFADRO C[C@H](OC(=O)CC1([NH+]2CCOCC2)CCCC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000820488831 606340480 /nfs/dbraw/zinc/34/04/80/606340480.db2.gz VBKKQZBRCRWHPU-HNNXBMFYSA-N 1 0 385.468 2.506 20 0 GFADRO COc1cccc([C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)N2CCCC2)c1 ZINC000821859100 606406374 /nfs/dbraw/zinc/40/63/74/606406374.db2.gz LCNNHHWMCAGWRS-KRWDZBQOSA-N 1 0 384.509 2.864 20 0 GFADRO CC(C)(C)OC(=O)N(CCC[NH2+]Cc1ccc(-c2nn[nH]n2)s1)C1CC1 ZINC000819928829 606416062 /nfs/dbraw/zinc/41/60/62/606416062.db2.gz YLCHJYDDECPDEJ-UHFFFAOYSA-N 1 0 378.502 2.807 20 0 GFADRO O=C1[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CCCN1c1ccccc1Cl ZINC000823513018 606422121 /nfs/dbraw/zinc/42/21/21/606422121.db2.gz RULUATBUFBKCQI-ZDUSSCGKSA-N 1 0 388.884 2.867 20 0 GFADRO CC[N@@H+]1CCCN(c2c(-c3nn[nH]n3)cnc3ccc(OC(F)F)cc32)CC1 ZINC000821268333 606464219 /nfs/dbraw/zinc/46/42/19/606464219.db2.gz VDIMSPVDEJJTDB-UHFFFAOYSA-N 1 0 389.410 2.548 20 0 GFADRO CC[NH+](CC)CCOc1ccc(NC(=O)Cc2cccc(-c3nn[nH]n3)c2)cc1 ZINC000821188776 606500387 /nfs/dbraw/zinc/50/03/87/606500387.db2.gz COPGECXPQVKAJJ-UHFFFAOYSA-N 1 0 394.479 2.769 20 0 GFADRO COc1cc(C[N@H+]2CC[C@H](OC)C2)ccc1OCc1cccc(-c2nn[nH]n2)c1 ZINC000821717250 606519450 /nfs/dbraw/zinc/51/94/50/606519450.db2.gz MSXYUIHHSFURBI-SFHVURJKSA-N 1 0 395.463 2.675 20 0 GFADRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1cc(-c2nn[nH]n2)cs1 ZINC000820758827 606538380 /nfs/dbraw/zinc/53/83/80/606538380.db2.gz DLCJVJZAZAFKNO-CZUORRHYSA-N 1 0 382.493 2.569 20 0 GFADRO Cc1ccc([C@@H](CNC(=O)Cc2cccc(-c3nn[nH]n3)c2)[NH+]2CCCC2)cc1 ZINC000822230452 606540273 /nfs/dbraw/zinc/54/02/73/606540273.db2.gz GXBFFRBIFOIURU-HXUWFJFHSA-N 1 0 390.491 2.671 20 0 GFADRO C[C@H]1CCN(C(=O)c2cc(-c3nn[nH]n3)cs2)CC[N@@H+]1Cc1ccccc1 ZINC000820717787 606544020 /nfs/dbraw/zinc/54/40/20/606544020.db2.gz WFEIPKQRHRGIOX-AWEZNQCLSA-N 1 0 382.493 2.665 20 0 GFADRO O=C(Cc1cccc(-c2nn[nH]n2)c1)N[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000823092202 606547717 /nfs/dbraw/zinc/54/77/17/606547717.db2.gz DCMNHFXCXWKFJL-HXUWFJFHSA-N 1 0 390.491 2.753 20 0 GFADRO C[C@H]1CC/C(=C\C(=O)N2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC000820678219 606617011 /nfs/dbraw/zinc/61/70/11/606617011.db2.gz TZFYIEDMQHHEDV-KXGFGANYSA-N 1 0 380.496 2.647 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCN(c2cccc(Cl)c2)C1=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000820418568 606624430 /nfs/dbraw/zinc/62/44/30/606624430.db2.gz BJEWTHXXUMJIRH-YVEFUNNKSA-N 1 0 382.855 2.976 20 0 GFADRO O=C(N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000823149838 606669764 /nfs/dbraw/zinc/66/97/64/606669764.db2.gz HVSZNTSBQJSCAR-OAHLLOKOSA-N 1 0 398.417 2.539 20 0 GFADRO CC(C)CC[NH+]1CCC(CNC(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)CC1 ZINC000820076129 606688679 /nfs/dbraw/zinc/68/86/79/606688679.db2.gz BXQNQXFJDSLYFE-UHFFFAOYSA-N 1 0 392.454 2.633 20 0 GFADRO COc1cc(-c2nn[nH]n2)ccc1OCC[N@@H+]1CC[C@@](C)(c2ccccc2)C1 ZINC000821702099 606718739 /nfs/dbraw/zinc/71/87/39/606718739.db2.gz HNRQWYGLSCEWGM-OAQYLSRUSA-N 1 0 379.464 2.918 20 0 GFADRO OCC[C@@H]1CSCC[N@@H+]1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000823718037 606722256 /nfs/dbraw/zinc/72/22/56/606722256.db2.gz PMNUYPUOLAZEAR-QGZVFWFLSA-N 1 0 381.505 2.834 20 0 GFADRO CCN1C[C@@H](C)[C@H]([NH2+]Cc2cccc(OCc3cccc(-c4nn[nH]n4)c3)c2)C1 ZINC000821242319 606733008 /nfs/dbraw/zinc/73/30/08/606733008.db2.gz RHYLNJKNCWYCHZ-IIBYNOLFSA-N 1 0 392.507 2.876 20 0 GFADRO COc1ccc(C[NH2+]CCNc2ccc3ccccc3n2)cc1-c1nn[nH]n1 ZINC000821813919 606741082 /nfs/dbraw/zinc/74/10/82/606741082.db2.gz PCADISPCJINDIL-UHFFFAOYSA-N 1 0 375.436 2.625 20 0 GFADRO CC[C@H]([NH2+]Cc1cc(-c2nn[nH]n2)cs1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000820926945 606742187 /nfs/dbraw/zinc/74/21/87/606742187.db2.gz XXKCPRHDSSVRHM-RBUKOAKNSA-N 1 0 398.536 2.697 20 0 GFADRO CC[C@H]([NH2+]Cc1ccc(-c2nn[nH]n2)cc1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000820925327 606742320 /nfs/dbraw/zinc/74/23/20/606742320.db2.gz GSXUGTQGQYTRKJ-SFTDATJTSA-N 1 0 392.507 2.636 20 0 GFADRO CC(C)(C)OC(=O)C[C@@H]1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC000819928462 606753353 /nfs/dbraw/zinc/75/33/53/606753353.db2.gz QAXCASIUNASRDZ-ZDUSSCGKSA-N 1 0 375.448 2.950 20 0 GFADRO COc1cc(OC)cc(N2CC[C@H](C[NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)c1 ZINC000821724161 606772022 /nfs/dbraw/zinc/77/20/22/606772022.db2.gz RLBQMRILFVUTIE-MRXNPFEDSA-N 1 0 394.479 2.500 20 0 GFADRO CCC1(C(=O)N2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)CCCC1 ZINC000820944784 606775259 /nfs/dbraw/zinc/77/52/59/606775259.db2.gz OCQCRNWYOSPKQP-UHFFFAOYSA-N 1 0 382.512 2.871 20 0 GFADRO C[C@@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@@H+]1Cc1ccc(C(C)(C)C)cc1 ZINC000820804720 606779072 /nfs/dbraw/zinc/77/90/72/606779072.db2.gz YBQSRJLUKVJIOS-OAHLLOKOSA-N 1 0 392.511 2.665 20 0 GFADRO CCOc1ccc(CC[NH2+]C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)cc1OCC ZINC000821418049 606844397 /nfs/dbraw/zinc/84/43/97/606844397.db2.gz VICBZRLKCNZYHF-SFHVURJKSA-N 1 0 397.479 2.530 20 0 GFADRO Cc1ccc(C(=O)C2CC[NH+](C[C@@H](O)c3ccc(-c4nn[nH]n4)cc3)CC2)cc1 ZINC000822225053 606856062 /nfs/dbraw/zinc/85/60/62/606856062.db2.gz MDTMWLLVDYSUIM-HXUWFJFHSA-N 1 0 391.475 2.803 20 0 GFADRO C[N@H+](C[C@H](O)c1ccc(-c2nn[nH]n2)cc1)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000821595226 606891740 /nfs/dbraw/zinc/89/17/40/606891740.db2.gz PRZZJDQAMIBUPF-QHAWAJNXSA-N 1 0 393.491 3.000 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)C=Cc2ccccc2-c2nn[nH]n2)C[N@@H+]1Cc1ccccc1 ZINC000820658894 606904165 /nfs/dbraw/zinc/90/41/65/606904165.db2.gz VDTJKUSDLHKRHD-VVSAXJSQSA-N 1 0 388.475 2.659 20 0 GFADRO C[N@@H+](Cc1cccc(OC(F)(F)F)c1)C[C@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821614884 606913824 /nfs/dbraw/zinc/91/38/24/606913824.db2.gz YMTTWYJHGHPSBG-INIZCTEOSA-N 1 0 393.369 2.931 20 0 GFADRO CC(C)Oc1ccc(-c2nn[nH]n2)cc1NC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000820151255 606915421 /nfs/dbraw/zinc/91/54/21/606915421.db2.gz FCJRGQRUZOGARP-HNNXBMFYSA-N 1 0 399.499 2.604 20 0 GFADRO O=C(C[C@H]1CCC[N@H+]1C[C@H](O)c1ccc(-c2nn[nH]n2)cc1)c1cccs1 ZINC000822946190 606930382 /nfs/dbraw/zinc/93/03/82/606930382.db2.gz WULPQESYTBZRRU-WBVHZDCISA-N 1 0 383.477 2.699 20 0 GFADRO Cc1ccccc1C(=O)NC1CC[NH+](Cc2ccc(F)c(-c3nn[nH]n3)c2)CC1 ZINC000822345765 606964296 /nfs/dbraw/zinc/96/42/96/606964296.db2.gz QXYQHUJCASNHAZ-UHFFFAOYSA-N 1 0 394.454 2.709 20 0 GFADRO CC(C)c1cnc(CN(C)[C@H]2CC[N@H+](Cc3ccc(F)c(-c4nn[nH]n4)c3)C2)o1 ZINC000820197476 606976215 /nfs/dbraw/zinc/97/62/15/606976215.db2.gz JUNXBHDJBZMFAE-HNNXBMFYSA-N 1 0 399.474 2.824 20 0 GFADRO Clc1cccc(C2([NH2+]C[C@H]3CNc4c(-c5nn[nH]n5)cnn4C3)CCCC2)c1 ZINC000822585529 607008511 /nfs/dbraw/zinc/00/85/11/607008511.db2.gz CJDZRWBMAMLFEO-CYBMUJFWSA-N 1 0 398.902 2.817 20 0 GFADRO C[C@@H]([NH2+][C@@H](C)c1ccc(-c2nn[nH]n2)cc1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000820413420 607013818 /nfs/dbraw/zinc/01/38/18/607013818.db2.gz PSVLUWYGHUXUPB-NWDGAFQWSA-N 1 0 389.456 2.821 20 0 GFADRO C[C@@H]1CC[C@@H](CC(=O)N2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC000820683768 607022972 /nfs/dbraw/zinc/02/29/72/607022972.db2.gz HCFBGXXWHKHUBR-SJLPKXTDSA-N 1 0 382.512 2.727 20 0 GFADRO Cc1cc(F)cc2c1ncc(-c1nn[nH]n1)c2N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000822204061 607031181 /nfs/dbraw/zinc/03/11/81/607031181.db2.gz BXUCJQGGFDMVGB-CXAGYDPISA-N 1 0 381.459 2.783 20 0 GFADRO c1ccc(C[N@@H+]2CCC[C@@H]3CN(c4cccc(-c5nn[nH]n5)n4)CC[C@H]32)cc1 ZINC000823780980 607032932 /nfs/dbraw/zinc/03/29/32/607032932.db2.gz XZQOIKUQSXKOSB-IEBWSBKVSA-N 1 0 375.480 2.753 20 0 GFADRO COc1ccc([C@H](C)[NH2+]C2CCN(c3ccc(-c4nn[nH]n4)cn3)CC2)cc1F ZINC000821778115 607047052 /nfs/dbraw/zinc/04/70/52/607047052.db2.gz UOLIOTNJBGBRPJ-ZDUSSCGKSA-N 1 0 397.458 2.729 20 0 GFADRO Fc1ccc2c(c1)[C@@H]([NH2+]C1CCN(c3ccc(-c4nn[nH]n4)cn3)CC1)CC2 ZINC000822782982 607047210 /nfs/dbraw/zinc/04/72/10/607047210.db2.gz OLKYEHRGSKZNDP-SFHVURJKSA-N 1 0 379.443 2.647 20 0 GFADRO C[C@H]([NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1)c1cccc(NS(C)(=O)=O)c1 ZINC000820414297 607088161 /nfs/dbraw/zinc/08/81/61/607088161.db2.gz XOTRZSXLKPVTQQ-STQMWFEESA-N 1 0 386.481 2.650 20 0 GFADRO CC(C)(C)OC(=O)NC[C@](C)([NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)C1CC1 ZINC000819940378 607097668 /nfs/dbraw/zinc/09/76/68/607097668.db2.gz ZIIYVBURUCFIHU-IBGZPJMESA-N 1 0 390.463 2.789 20 0 GFADRO CCC1(CC)[C@@H](OC)C[C@@H]1[N@H+](C)Cc1nnc(-c2ccc(-c3nn[nH]n3)cc2)o1 ZINC000820958112 607105887 /nfs/dbraw/zinc/10/58/87/607105887.db2.gz RNAXXXGWIWLFJZ-HOTGVXAUSA-N 1 0 397.483 2.942 20 0 GFADRO C[NH+](C)CCN(Cc1ccc(C(F)(F)F)cc1)c1ccc(-c2nn[nH]n2)cn1 ZINC000821585928 607114194 /nfs/dbraw/zinc/11/41/94/607114194.db2.gz AUXYQZIJPCIONF-UHFFFAOYSA-N 1 0 391.401 2.849 20 0 GFADRO COC(=O)[C@@]1(C)CC[N@H+](Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)C1 ZINC000821652275 607127436 /nfs/dbraw/zinc/12/74/36/607127436.db2.gz OYNRBZNWLXHQCA-NRFANRHFSA-N 1 0 377.448 2.919 20 0 GFADRO Fc1ccc(C[NH2+]C2CCN(c3ccc(-c4nn[nH]n4)cn3)CC2)c(Cl)c1 ZINC000822772461 607150326 /nfs/dbraw/zinc/15/03/26/607150326.db2.gz ZYSKUJVKUIDNLF-UHFFFAOYSA-N 1 0 387.850 2.813 20 0 GFADRO Fc1ccc(C[NH2+]CCOc2ccc(-c3nn[nH]n3)cc2)c(Br)c1 ZINC000822771391 607150547 /nfs/dbraw/zinc/15/05/47/607150547.db2.gz GUWGMEUMCBEVKN-UHFFFAOYSA-N 1 0 392.232 2.937 20 0 GFADRO O=C(NCC[N@@H+]1CCc2ccccc2C1)Nc1ccc(-c2nn[nH]n2)cc1Cl ZINC000823196300 607200384 /nfs/dbraw/zinc/20/03/84/607200384.db2.gz DFIPCFJXMMNUOP-UHFFFAOYSA-N 1 0 397.870 2.700 20 0 GFADRO Cc1ccc(-c2nn[nH]n2)c(NCc2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)n1 ZINC000822215311 607227583 /nfs/dbraw/zinc/22/75/83/607227583.db2.gz VIJBXSCXHYMMQA-HZPDHXFCSA-N 1 0 393.495 2.791 20 0 GFADRO CN(C)C(=O)CCC[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)Cc1cccc(F)c1 ZINC000821575604 607236309 /nfs/dbraw/zinc/23/63/09/607236309.db2.gz INHACUNWGVGWPY-UHFFFAOYSA-N 1 0 396.470 2.876 20 0 GFADRO Cc1ccc(NC(=O)N(CC[NH+](C)C)Cc2ccc(-c3nn[nH]n3)cc2)c(F)c1 ZINC000826291254 607780286 /nfs/dbraw/zinc/78/02/86/607780286.db2.gz WTVFAGBRSBUJJA-UHFFFAOYSA-N 1 0 397.458 2.910 20 0 GFADRO C[C@H]([NH2+]CCS(=O)(=O)c1cccc(-c2nn[nH]n2)c1)c1cccc(Cl)c1 ZINC000824600357 607814466 /nfs/dbraw/zinc/81/44/66/607814466.db2.gz YVXGKIQSFKLNJQ-LBPRGKRZSA-N 1 0 391.884 2.645 20 0 GFADRO CC[C@@H]([NH2+]CCS(=O)(=O)c1cccc(-c2nn[nH]n2)c1)c1ccc(C)cc1 ZINC000825142923 607814468 /nfs/dbraw/zinc/81/44/68/607814468.db2.gz UGPBPMKLZQOTQA-GOSISDBHSA-N 1 0 385.493 2.690 20 0 GFADRO O=S(=O)(CC[N@@H+]1CCC[C@H]1C1CCCCC1)c1cccc(-c2nn[nH]n2)c1 ZINC000826484967 607815644 /nfs/dbraw/zinc/81/56/44/607815644.db2.gz WUGOVXMLFZSXHT-SFHVURJKSA-N 1 0 389.525 2.685 20 0 GFADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2c(Cl)cc(-c3nn[nH]n3)cc2Cl)C1 ZINC000825391035 607834951 /nfs/dbraw/zinc/83/49/51/607834951.db2.gz SPSPJJZVVCQFDP-JTQLQIEISA-N 1 0 383.283 2.587 20 0 GFADRO OC[C@H](CC1CC1)[NH2+]Cc1cccc(OCc2ccccc2-c2nn[nH]n2)c1 ZINC000826506748 607854111 /nfs/dbraw/zinc/85/41/11/607854111.db2.gz BAAKMNBMAKLZRY-SFHVURJKSA-N 1 0 379.464 2.696 20 0 GFADRO CC(=O)N1CC[C@@H](C[N@@H+](C)Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)C1 ZINC000823973976 607857714 /nfs/dbraw/zinc/85/77/14/607857714.db2.gz NDFDETOWXGYTNQ-SFHVURJKSA-N 1 0 390.491 2.834 20 0 GFADRO CC(=O)c1ccc2c(c1)CC[N@@H+](Cc1cn3ccccc3c1-c1nn[nH]n1)CC2 ZINC000824029094 607926081 /nfs/dbraw/zinc/92/60/81/607926081.db2.gz CSUGEVPJEOUIDK-UHFFFAOYSA-N 1 0 386.459 2.923 20 0 GFADRO CN(Cc1ccccc1)CC(C)(C)[NH2+]CCOc1ccccc1-c1nn[nH]n1 ZINC000825981490 607957281 /nfs/dbraw/zinc/95/72/81/607957281.db2.gz SYPHEIATGLWRTH-UHFFFAOYSA-N 1 0 380.496 2.746 20 0 GFADRO C[C@@H](CO)CCC[NH2+]Cc1cccc(OCc2ccccc2-c2nn[nH]n2)c1 ZINC000824433143 607976911 /nfs/dbraw/zinc/97/69/11/607976911.db2.gz CETUNRFARKQBFF-MRXNPFEDSA-N 1 0 381.480 2.944 20 0 GFADRO CCC(CC)[C@@H](C)C(=O)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000825094813 608050854 /nfs/dbraw/zinc/05/08/54/608050854.db2.gz CUWOGKAXHGITCK-MRXNPFEDSA-N 1 0 384.528 2.973 20 0 GFADRO CC[NH+]1CCN(c2ccccc2NCc2ccc(-c3nn[nH]n3)cc2F)CC1 ZINC000825466293 608112409 /nfs/dbraw/zinc/11/24/09/608112409.db2.gz YUJADNBBWZKHET-UHFFFAOYSA-N 1 0 381.459 2.760 20 0 GFADRO Cc1cc(C)cc([C@H]2CC[N@H+](C[C@@H](O)COc3ccc(-c4nn[nH]n4)cc3)C2)c1 ZINC000826264444 608128307 /nfs/dbraw/zinc/12/83/07/608128307.db2.gz OSLQPCWVFNNUKD-AZUAARDMSA-N 1 0 393.491 2.713 20 0 GFADRO CC(C)(C)OC(=O)N1CCC(C)(C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000824822965 608135544 /nfs/dbraw/zinc/13/55/44/608135544.db2.gz HMHACWKWEJWPKR-UHFFFAOYSA-N 1 0 386.500 2.994 20 0 GFADRO CC(C)(C)OC(=O)N1CCC[C@@](C)(C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000824824663 608135718 /nfs/dbraw/zinc/13/57/18/608135718.db2.gz WPAHGRVMNREIAE-FQEVSTJZSA-N 1 0 386.500 2.994 20 0 GFADRO Fc1ccc(CC2(C[NH2+]Cc3cnc4ccc(-c5nn[nH]n5)cn34)CC2)cc1 ZINC000826374262 608160491 /nfs/dbraw/zinc/16/04/91/608160491.db2.gz SBYXRABETAIFMX-UHFFFAOYSA-N 1 0 377.427 2.766 20 0 GFADRO Cc1ccc([C@H](C)[NH2+]C2CCN(c3ccc(-c4nn[nH]n4)cn3)CC2)c(C)n1 ZINC000826283685 608201738 /nfs/dbraw/zinc/20/17/38/608201738.db2.gz XMDGVHUDDYIXOX-HNNXBMFYSA-N 1 0 378.484 2.593 20 0 GFADRO COc1ccc(C[NH+]2CCC(CNc3nc(C)ccc3-c3nn[nH]n3)CC2)cc1 ZINC000826194610 608278369 /nfs/dbraw/zinc/27/83/69/608278369.db2.gz QQKCVCVZLSTFON-UHFFFAOYSA-N 1 0 393.495 2.903 20 0 GFADRO C[C@@H]([NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)c1ccc(N2CCOC2=O)cc1 ZINC000824604885 608283720 /nfs/dbraw/zinc/28/37/20/608283720.db2.gz FDQYBIYPEAZUHQ-GFCCVEGCSA-N 1 0 382.399 2.813 20 0 GFADRO COc1ccc(NC(=O)C[C@@H](C)[NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)cc1 ZINC000826209550 608285506 /nfs/dbraw/zinc/28/55/06/608285506.db2.gz HNHQNYHFMOUENP-GFCCVEGCSA-N 1 0 384.415 2.521 20 0 GFADRO COCCOc1ccc([C@@H](C)[NH2+]Cc2ccc(OC)c(-c3nn[nH]n3)c2)cc1 ZINC000826162756 608286374 /nfs/dbraw/zinc/28/63/74/608286374.db2.gz QWFLHBUOQMFEJY-CQSZACIVSA-N 1 0 383.452 2.751 20 0 GFADRO COc1ccc(C[NH2+][C@H](C)c2ccc3c(c2)C(C)(C)C(=O)N3)cc1-c1nn[nH]n1 ZINC000826202223 608286980 /nfs/dbraw/zinc/28/69/80/608286980.db2.gz RZYJSPJYZAATFU-GFCCVEGCSA-N 1 0 392.463 2.956 20 0 GFADRO CC[C@H](CSC)[N@H+](C)CCC(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000825125536 608325426 /nfs/dbraw/zinc/32/54/26/608325426.db2.gz DGUJRESPTSQROZ-GFCCVEGCSA-N 1 0 382.921 2.922 20 0 GFADRO c1cc(-c2nnc(C[N@H+]3CCC[C@@H](C[C@@H]4CCOC4)C3)o2)ccc1-c1nn[nH]n1 ZINC000826512812 608326726 /nfs/dbraw/zinc/32/67/26/608326726.db2.gz OPIBVOYRTVATAL-GJZGRUSLSA-N 1 0 395.467 2.555 20 0 GFADRO COc1cc(-c2nn[nH]n2)ccc1C[NH+]1CCC(C(=O)c2ccc(O)cc2)CC1 ZINC000826168415 608370668 /nfs/dbraw/zinc/37/06/68/608370668.db2.gz LYGYQAOIWIVEKM-UHFFFAOYSA-N 1 0 393.447 2.676 20 0 GFADRO CC(C)(C)OC(=O)C[C@@H]1CCC[N@H+](Cc2cccc(-c3nn[nH]n3)c2F)C1 ZINC000824100774 608400811 /nfs/dbraw/zinc/40/08/11/608400811.db2.gz XEMLPPKXYRQSNK-ZDUSSCGKSA-N 1 0 375.448 2.950 20 0 GFADRO CC(C)Oc1ccc([C@H](C)[NH2+]CC(=O)NCc2cccc(-c3nn[nH]n3)c2)cc1 ZINC000824323921 608438023 /nfs/dbraw/zinc/43/80/23/608438023.db2.gz DBTGQXLMYLHHPM-HNNXBMFYSA-N 1 0 394.479 2.621 20 0 GFADRO C[C@H]([NH2+]CC(=O)Nc1cccc(-c2nn[nH]n2)c1)c1ccc(OC(F)F)cc1 ZINC000824562270 608444207 /nfs/dbraw/zinc/44/42/07/608444207.db2.gz DOBCHCYRQTVHTE-NSHDSACASA-N 1 0 388.378 2.757 20 0 GFADRO CC(C)Oc1cc(C[N@H+](C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)C2CC2)ccn1 ZINC000824319528 608452451 /nfs/dbraw/zinc/45/24/51/608452451.db2.gz SYFKQADBBHGAFH-IBGZPJMESA-N 1 0 394.479 2.747 20 0 GFADRO CCOc1ccccc1[C@@H](CC)[NH2+]C[C@@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000825654141 608458304 /nfs/dbraw/zinc/45/83/04/608458304.db2.gz PKPUFSJLOAIBEL-VQIMIIECSA-N 1 0 397.479 2.746 20 0 GFADRO Cc1cc(C)c(CCNC(=O)C[NH2+][C@@H](C)c2ccc(-c3nn[nH]n3)cc2)c(C)c1 ZINC000826263393 608461394 /nfs/dbraw/zinc/46/13/94/608461394.db2.gz YVRSBAJUTKENDX-KRWDZBQOSA-N 1 0 392.507 2.801 20 0 GFADRO O[C@@H](COc1ccccc1F)C[N@H+]1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826505352 608468775 /nfs/dbraw/zinc/46/87/75/608468775.db2.gz TXMFTEQHFZQUSG-GOSISDBHSA-N 1 0 395.438 2.535 20 0 GFADRO CC[C@H]([NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1)C(=O)Nc1ccc(OC)cc1 ZINC000825139174 608486049 /nfs/dbraw/zinc/48/60/49/608486049.db2.gz CPWOMYLCAOAQEK-UGSOOPFHSA-N 1 0 380.452 2.943 20 0 GFADRO O=C(CCCC[NH+]1CCCC1)N1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826406242 608489032 /nfs/dbraw/zinc/48/90/32/608489032.db2.gz NVNIQYUPNLXJIV-UHFFFAOYSA-N 1 0 380.496 2.749 20 0 GFADRO Cc1cc(C)cc([C@H](C)[NH2+]CCS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)c1 ZINC000826264263 608509422 /nfs/dbraw/zinc/50/94/22/608509422.db2.gz HWXQTFIGKZXWHC-HNNXBMFYSA-N 1 0 385.493 2.608 20 0 GFADRO COc1ccc([C@@H](CCO)[NH2+][C@H]2CCCc3cc(-c4nn[nH]n4)ccc32)cc1 ZINC000826188561 608517916 /nfs/dbraw/zinc/51/79/16/608517916.db2.gz ARAOGLQOTPTTOS-UXHICEINSA-N 1 0 379.464 2.966 20 0 GFADRO Cc1ccccc1[C@H]([NH2+]C[C@@H](O)COc1ccc(-c2nn[nH]n2)cc1)C(C)C ZINC000826306049 608520220 /nfs/dbraw/zinc/52/02/20/608520220.db2.gz OPCSNTAEIOZVNQ-YLJYHZDGSA-N 1 0 381.480 2.902 20 0 GFADRO C[N@H+](Cc1c[nH]nc1-c1ccc2c(c1)OCO2)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000825957588 608524446 /nfs/dbraw/zinc/52/44/46/608524446.db2.gz DQDCISYUEZSSFE-UHFFFAOYSA-N 1 0 389.419 2.618 20 0 GFADRO COc1cc(F)c([C@H](C)[NH2+]CCOc2cccc(-c3nn[nH]n3)c2)cc1OC ZINC000826180070 608526572 /nfs/dbraw/zinc/52/65/72/608526572.db2.gz RAUQHVRVOGLWMR-LBPRGKRZSA-N 1 0 387.415 2.753 20 0 GFADRO O=C(C[NH2+][C@@H](CC1CC1)c1ccccc1)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000826412615 608528104 /nfs/dbraw/zinc/52/81/04/608528104.db2.gz VOAQIKLZAFNUPZ-IBGZPJMESA-N 1 0 376.464 2.614 20 0 GFADRO O=C(C[NH2+][C@@H](c1ccccc1)C1CCOCC1)Nc1sccc1-c1nn[nH]n1 ZINC000826412176 608535770 /nfs/dbraw/zinc/53/57/70/608535770.db2.gz FECFSSIWWVHZCQ-KRWDZBQOSA-N 1 0 398.492 2.624 20 0 GFADRO Cc1ccc(-c2nn[nH]n2)nc1NCc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000826280522 608543066 /nfs/dbraw/zinc/54/30/66/608543066.db2.gz FIEBSOCEYKIVAE-IYBDPMFKSA-N 1 0 393.495 2.791 20 0 GFADRO O=C(NC1CC1)c1ccc(C[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C2CC2)cc1 ZINC000826428826 608544571 /nfs/dbraw/zinc/54/45/71/608544571.db2.gz MHMZKFFHYBKXMQ-UHFFFAOYSA-N 1 0 394.504 2.985 20 0 GFADRO COC[C@H]([NH2+]CCOc1cccc(-c2nn[nH]n2)c1)c1ccc(F)c(F)c1 ZINC000826151214 608552267 /nfs/dbraw/zinc/55/22/67/608552267.db2.gz WLKLOWHVTHYXTD-KRWDZBQOSA-N 1 0 375.379 2.501 20 0 GFADRO O=C(C[NH2+][C@H](C[C@H]1CCOC1)c1ccccc1)Nc1sccc1-c1nn[nH]n1 ZINC000826412325 608552446 /nfs/dbraw/zinc/55/24/46/608552446.db2.gz KGSSOZRPIQQRSN-CZUORRHYSA-N 1 0 398.492 2.624 20 0 GFADRO O[C@H](C[NH2+][C@H](C[C@@H]1CCOC1)c1ccccc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000826502441 608552816 /nfs/dbraw/zinc/55/28/16/608552816.db2.gz CRNCQTHTIZMOGN-CWFSZBLJSA-N 1 0 379.464 2.658 20 0 GFADRO Cc1cc([C@@H](C)[NH2+]CCS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)c(C)s1 ZINC000826262020 608578455 /nfs/dbraw/zinc/57/84/55/608578455.db2.gz BTFQFCBOSLNMHL-GFCCVEGCSA-N 1 0 391.522 2.670 20 0 GFADRO COc1ccc([C@@H](C)C[NH+]2CCN(c3ccccc3-c3nn[nH]n3)CC2)cc1 ZINC000826188146 608581689 /nfs/dbraw/zinc/58/16/89/608581689.db2.gz OQVGPPLGDMBFHL-INIZCTEOSA-N 1 0 378.480 2.801 20 0 GFADRO Cc1cccc2ncc(C[N@@H+]3CCCN(c4ccccc4-c4nn[nH]n4)CC3)n21 ZINC000826305096 608585179 /nfs/dbraw/zinc/58/51/79/608585179.db2.gz KITBXJYNJNMSPY-UHFFFAOYSA-N 1 0 388.479 2.535 20 0 GFADRO CCC[C@H]1CN(c2nnc(C)c(C)c2-c2nn[nH]n2)CC[N@@H+]1Cc1ccccc1 ZINC000825258871 608587330 /nfs/dbraw/zinc/58/73/30/608587330.db2.gz GKRWYSGVJMBPDC-SFHVURJKSA-N 1 0 392.511 2.764 20 0 GFADRO O[C@H](C[NH+]1CCC(OCc2ccccc2F)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000826503211 608591357 /nfs/dbraw/zinc/59/13/57/608591357.db2.gz SUYSZHJVPPHGII-HXUWFJFHSA-N 1 0 397.454 2.720 20 0 GFADRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)c1cccc(Nc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000824978764 608594814 /nfs/dbraw/zinc/59/48/14/608594814.db2.gz XBMQHDMHGHSHNI-LSDHHAIUSA-N 1 0 391.479 2.775 20 0 GFADRO C[N@H+](Cc1cc(-c2nn[nH]n2)cs1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000825953728 608598698 /nfs/dbraw/zinc/59/86/98/608598698.db2.gz NAGDPUZIJIVCSM-UHFFFAOYSA-N 1 0 378.502 2.760 20 0 GFADRO COc1cccc(C[C@@H]2CCC[N@@H+]2Cc2cnc3ccc(-c4nn[nH]n4)cn23)c1 ZINC000826216191 608616044 /nfs/dbraw/zinc/61/60/44/608616044.db2.gz OAIYMBBYHBYQBV-KRWDZBQOSA-N 1 0 389.463 2.730 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(Cc2cnc3ccc(-c4nn[nH]n4)cn23)C1 ZINC000824935734 608638986 /nfs/dbraw/zinc/63/89/86/608638986.db2.gz CRWHGPXEODARBB-IAGOWNOFSA-N 1 0 394.527 2.601 20 0 GFADRO CN(C[C@H]1CC[N@H+](Cc2cc(-c3nn[nH]n3)cs2)C1)C(=O)OC(C)(C)C ZINC000825908423 608680711 /nfs/dbraw/zinc/68/07/11/608680711.db2.gz HLKFBJYXKARJBH-GFCCVEGCSA-N 1 0 378.502 2.617 20 0 GFADRO CCC[N@H+](Cc1cnc2ccc(-c3nn[nH]n3)cn12)[C@H]1C[C@H](OCC)C1(C)C ZINC000825322614 608718314 /nfs/dbraw/zinc/71/83/14/608718314.db2.gz FVWOJTYWJRHLBJ-IRXDYDNUSA-N 1 0 383.500 2.930 20 0 GFADRO CCO[C@H]1C[C@@H]([N@H+](C)Cc2cnc3ccc(-c4nn[nH]n4)cn23)C1(CC)CC ZINC000825581932 608830890 /nfs/dbraw/zinc/83/08/90/608830890.db2.gz GLSSGTCKPSGOCK-SJORKVTESA-N 1 0 383.500 2.930 20 0 GFADRO C[C@H]1C[C@H](CNC(=O)OC(C)(C)C)C[N@@H+]1Cc1cc(-c2nn[nH]n2)cs1 ZINC000824883870 608844860 /nfs/dbraw/zinc/84/48/60/608844860.db2.gz JQVCQSITAWJVFY-NWDGAFQWSA-N 1 0 378.502 2.663 20 0 GFADRO c1cc(-c2nn[nH]n2)oc1CN1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000826521532 608845073 /nfs/dbraw/zinc/84/50/73/608845073.db2.gz QGCHURHTZLHPDS-MJGOQNOKSA-N 1 0 378.480 2.946 20 0 GFADRO CC[C@H]1C[N@H+](Cc2cccc(OCc3ccccc3-c3nn[nH]n3)c2)C[C@H]1O ZINC000825210506 608849023 /nfs/dbraw/zinc/84/90/23/608849023.db2.gz HPYDVPBVGXRVNY-OXJNMPFZSA-N 1 0 379.464 2.648 20 0 GFADRO C[C@@H]([NH2+]CCCN(C)C(=O)OC(C)(C)C)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824584974 609141248 /nfs/dbraw/zinc/14/12/48/609141248.db2.gz KOXCFUPDZSVXIW-GFCCVEGCSA-N 1 0 378.452 2.913 20 0 GFADRO C[C@@H]1CC[C@@H](C(F)(F)F)C[N@@H+]1CCC(=O)Nc1ccccc1-c1nn[nH]n1 ZINC000824906152 609148548 /nfs/dbraw/zinc/14/85/48/609148548.db2.gz AJZQUOQCLJKMMP-VXGBXAGGSA-N 1 0 382.390 2.858 20 0 GFADRO Cc1cc(N2CCC([NH2+][C@@H](C)c3ccc(-c4nn[nH]n4)c(F)c3)CC2)nc(C)n1 ZINC000826269255 609149121 /nfs/dbraw/zinc/14/91/21/609149121.db2.gz GFKLILLAOZUMGJ-ZDUSSCGKSA-N 1 0 396.474 2.732 20 0 GFADRO C[C@@H]([NH2+]CC1CN(C(=O)OC(C)(C)C)C1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824577497 609154223 /nfs/dbraw/zinc/15/42/23/609154223.db2.gz LDCDMRBZDXUXGA-LLVKDONJSA-N 1 0 376.436 2.523 20 0 GFADRO C[C@H](NC(=O)C=Cc1ccccc1-c1nn[nH]n1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000824477608 609286926 /nfs/dbraw/zinc/28/69/26/609286926.db2.gz APXBHQPHPIBDNT-ZEERGYAVSA-N 1 0 380.496 2.649 20 0 GFADRO C[C@@H](CNC(=O)c1ccc(Cl)c(-c2nn[nH]n2)c1)[N@@H+]1CCc2ccccc2C1 ZINC000824426361 609289723 /nfs/dbraw/zinc/28/97/23/609289723.db2.gz DONUZIXHYBOERH-ZDUSSCGKSA-N 1 0 396.882 2.697 20 0 GFADRO C[C@H]([NH2+]CC1(N2CCOCC2)CCCCC1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824577255 609322889 /nfs/dbraw/zinc/32/28/89/609322889.db2.gz IPWNZPOQGQWEMX-HNNXBMFYSA-N 1 0 388.491 2.692 20 0 GFADRO COc1cccc([C@H]2[C@H](Nc3ncccc3-c3nn[nH]n3)CC[N@@H+]2C2CC2)c1 ZINC000826215016 609323169 /nfs/dbraw/zinc/32/31/69/609323169.db2.gz DJHRIXAFYYGBLK-MSOLQXFVSA-N 1 0 377.452 2.660 20 0 GFADRO COc1ccc(C[NH2+]Cc2cn(C)nc2-c2ccc(-c3nn[nH]n3)cc2)c(C)c1 ZINC000826202453 609342815 /nfs/dbraw/zinc/34/28/15/609342815.db2.gz AFKIUUZCULUVNG-UHFFFAOYSA-N 1 0 389.463 2.874 20 0 GFADRO Cc1noc(C)c1[C@@H](C)C[NH2+]Cc1cn(C)nc1-c1ccc(-c2nn[nH]n2)cc1 ZINC000826339013 609343441 /nfs/dbraw/zinc/34/34/41/609343441.db2.gz ONNABXVSDZHEOI-LBPRGKRZSA-N 1 0 392.467 2.765 20 0 GFADRO C[C@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)cn1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824658425 609347237 /nfs/dbraw/zinc/34/72/37/609347237.db2.gz XAOZOFDFMLMDDV-XJKSGUPXSA-N 1 0 396.474 2.714 20 0 GFADRO C[C@H](NC(=O)Nc1ccc(-c2nn[nH]n2)c(C(F)(F)F)c1)C1=CC[N@H+](C)CC1 ZINC000824505244 609352136 /nfs/dbraw/zinc/35/21/36/609352136.db2.gz AGUVJKVHCIAZPH-JTQLQIEISA-N 1 0 395.389 2.657 20 0 GFADRO Brc1cc(-c2nn[nH]n2)ccc1CN1CC[NH+](C2CCCC2)CC1 ZINC000823820747 609355326 /nfs/dbraw/zinc/35/53/26/609355326.db2.gz KASYNGOXZDUCRR-UHFFFAOYSA-N 1 0 391.317 2.689 20 0 GFADRO CC[NH+](CC)C[C@H]1CCN(Cc2ccc(-c3nn[nH]n3)cc2Br)C1 ZINC000825412288 609361953 /nfs/dbraw/zinc/36/19/53/609361953.db2.gz NMCGRVGCKMPSAP-CYBMUJFWSA-N 1 0 393.333 2.793 20 0 GFADRO Brc1cc(-c2nn[nH]n2)ccc1C[NH+]1CCC(n2ccnc2)CC1 ZINC000823821284 609362637 /nfs/dbraw/zinc/36/26/37/609362637.db2.gz RHANCBWNWPMLAB-UHFFFAOYSA-N 1 0 388.273 2.663 20 0 GFADRO C[N@@H+]1CCC[C@@H]2CN(Cc3ccc(-c4nn[nH]n4)cc3Br)CC[C@@H]21 ZINC000826034445 609364167 /nfs/dbraw/zinc/36/41/67/609364167.db2.gz QVEXUFNOODKXSR-ZBFHGGJFSA-N 1 0 391.317 2.545 20 0 GFADRO C[C@@H]1CC[N@H+](CCC(=O)Nc2sc3c(c2-c2nn[nH]n2)CCCC3)C[C@H]1F ZINC000824954440 609373876 /nfs/dbraw/zinc/37/38/76/609373876.db2.gz JZJDBAKLMYCGHX-DGCLKSJQSA-N 1 0 392.504 2.816 20 0 GFADRO Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)n1C[N@H+]1CC[C@]2(CC[C@H](C)C2)C1 ZINC000826335076 609373952 /nfs/dbraw/zinc/37/39/52/609373952.db2.gz XCVIVJHODIGQMT-XOBRGWDASA-N 1 0 378.484 2.903 20 0 GFADRO C[N@H+]1CC=C(CNC(=O)c2ccccc2Oc2ccccc2-c2nn[nH]n2)CC1 ZINC000826017720 609396770 /nfs/dbraw/zinc/39/67/70/609396770.db2.gz NQDIISKHGFUUHI-UHFFFAOYSA-N 1 0 390.447 2.651 20 0 GFADRO COc1cccc([C@@H](C)[NH2+][C@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)c1 ZINC000826214479 609412874 /nfs/dbraw/zinc/41/28/74/609412874.db2.gz MWICMSVURHBQPY-KUHUBIRLSA-N 1 0 392.463 2.722 20 0 GFADRO O=C1[C@H]([NH2+][C@@H]2CCC[C@H](C3CC3)C2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476542 609417439 /nfs/dbraw/zinc/41/74/39/609417439.db2.gz KBJHMMLPKKECCX-YQVWRLOYSA-N 1 0 380.496 2.921 20 0 GFADRO OC[C@H]([NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)c1cccc(Br)c1 ZINC000826508145 609427511 /nfs/dbraw/zinc/42/75/11/609427511.db2.gz GEVRWYUQAGRNKL-HNNXBMFYSA-N 1 0 392.232 2.592 20 0 GFADRO c1ccc(-c2ccc(-c3nn[nH]n3)c(SCC[N@H+]3C[C@H]4CC[C@@H](C3)O4)n2)cc1 ZINC000826519360 609450048 /nfs/dbraw/zinc/45/00/48/609450048.db2.gz VQDBHJNCCBBVIM-IYBDPMFKSA-N 1 0 394.504 2.884 20 0 GFADRO C[C@H](NC(=O)c1ccc(-c2nn[nH]n2)s1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000824514192 609456243 /nfs/dbraw/zinc/45/62/43/609456243.db2.gz MWPDSXDYKJVPDV-ZFWWWQNUSA-N 1 0 382.493 2.569 20 0 GFADRO CCc1ccc([C@@H](CNc2nc3ccccn3c2-c2nn[nH]n2)[NH+](C)C)cc1 ZINC000825705016 609457076 /nfs/dbraw/zinc/45/70/76/609457076.db2.gz UESBCZQERBPKAC-MRXNPFEDSA-N 1 0 376.468 2.792 20 0 GFADRO Cc1c(Cl)cnc(NCC2([NH+](C)C)Cc3ccccc3C2)c1-c1nn[nH]n1 ZINC000826239881 609559254 /nfs/dbraw/zinc/55/92/54/609559254.db2.gz SZKQSASXLKYWLN-UHFFFAOYSA-N 1 0 383.887 2.735 20 0 GFADRO CCCC[C@@H]([NH2+]CCn1cc(Br)cn1)C(=O)Nc1cc(C)on1 ZINC000507249041 650457562 /nfs/dbraw/zinc/45/75/62/650457562.db2.gz YZLFYEOVBQAWNE-CYBMUJFWSA-N 1 0 384.278 2.729 20 0 GFADRO C[NH+](C)CCn1ccc(NC(=O)N[C@@H]2C[C@@H]2c2cccc(Br)c2)n1 ZINC000525228732 650652099 /nfs/dbraw/zinc/65/20/99/650652099.db2.gz VGQQJSLBVHOLGG-HUUCEWRRSA-N 1 0 392.301 2.885 20 0 GFADRO CCOC(=O)[C@@H]1NCC[C@@H]1[NH2+]C1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 ZINC000817900789 660211860 /nfs/dbraw/zinc/21/18/60/660211860.db2.gz RZFYEIHEWSFEDM-PKZYVASSSA-N 1 0 376.341 2.779 20 0 GFADRO O=C(NC[C@H](O)c1ccc(Cl)cc1Cl)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000817935523 660212207 /nfs/dbraw/zinc/21/22/07/660212207.db2.gz IBJIJNWHDNJQFE-BBRMVZONSA-N 1 0 383.279 2.578 20 0 GFADRO [NH3+][C@@H]1CCO[C@H](C2CCN(C(=O)[C@@H](O)c3cc(Cl)cc(Cl)c3)CC2)C1 ZINC000818014099 660213696 /nfs/dbraw/zinc/21/36/96/660213696.db2.gz AKHMDEVTBSLWOO-IKGGRYGDSA-N 1 0 387.307 2.772 20 0 GFADRO CC(C)(C)OC(=O)N[C@@H]1C[C@@H]([NH2+]Cc2ccc(S(C)(=O)=O)s2)C1(C)C ZINC000818216808 660219794 /nfs/dbraw/zinc/21/97/94/660219794.db2.gz ODJIUWWFNLPQQZ-CHWSQXEVSA-N 1 0 388.555 2.933 20 0 GFADRO CC[NH2+]CC(=O)N[C@H](c1ccc(Cl)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000818465745 660226555 /nfs/dbraw/zinc/22/65/55/660226555.db2.gz JPQDNEOKQXSJOM-GOSISDBHSA-N 1 0 380.897 2.559 20 0 GFADRO CCS(=O)(=O)c1ccc(Cl)c(C(=O)NCc2ccc(CC[NH3+])cc2)c1 ZINC000818536667 660228043 /nfs/dbraw/zinc/22/80/43/660228043.db2.gz ZSXUGBZRMJXBHW-UHFFFAOYSA-N 1 0 380.897 2.565 20 0 GFADRO Cc1ccc(-n2nc(Br)cc2C(=O)N2CC[C@](C)(C[NH3+])C2)cc1 ZINC000818593937 660229327 /nfs/dbraw/zinc/22/93/27/660229327.db2.gz UOOCRGHKRWYQKC-QGZVFWFLSA-N 1 0 377.286 2.754 20 0 GFADRO COc1cc(/C=C/C(=O)N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)cc(Br)c1O ZINC000818615704 660230301 /nfs/dbraw/zinc/23/03/01/660230301.db2.gz ULNLGYKFJQSDLN-MTJJXUSZSA-N 1 0 383.286 2.728 20 0 GFADRO CC(C)C(=O)NCC[NH2+]C[C@@](C)(O)c1ccc(Br)cc1Cl ZINC000818942653 660236050 /nfs/dbraw/zinc/23/60/50/660236050.db2.gz NIQQYTXOGAMTGI-OAHLLOKOSA-N 1 0 377.710 2.672 20 0 GFADRO CS(=O)(=O)c1ccc([C@@H](O)C[NH2+]CCSCc2ccccc2F)cc1 ZINC000818942322 660236061 /nfs/dbraw/zinc/23/60/61/660236061.db2.gz YUZJHWZTQZKYKT-SFHVURJKSA-N 1 0 383.510 2.786 20 0 GFADRO C[C@@](O)(C[NH2+]CCNC(=O)c1ccccc1)c1ccc(Br)cc1F ZINC000818946360 660236356 /nfs/dbraw/zinc/23/63/56/660236356.db2.gz LBCRACIRPGBGLU-GOSISDBHSA-N 1 0 395.272 2.815 20 0 GFADRO O[C@H](C[NH2+]C[C@@H]1CCN(CC(F)(F)F)C1)c1cccc(Br)c1 ZINC000818972287 660239259 /nfs/dbraw/zinc/23/92/59/660239259.db2.gz INCFHWZNOQSDLL-SMDDNHRTSA-N 1 0 381.236 2.956 20 0 GFADRO COCCOc1ncccc1C[NH2+]C[C@H](O)c1ccc(F)c(Br)c1 ZINC000818975619 660240141 /nfs/dbraw/zinc/24/01/41/660240141.db2.gz SEAJIIQGEVQWTN-INIZCTEOSA-N 1 0 399.260 2.832 20 0 GFADRO Cc1cc(F)ccc1[C@H](O)C[NH2+]CCNC(=O)c1cccc(Br)c1 ZINC000818989031 660241886 /nfs/dbraw/zinc/24/18/86/660241886.db2.gz HJBZZMHUECBEBP-QGZVFWFLSA-N 1 0 395.272 2.950 20 0 GFADRO Cc1ncc2c(n1)CCC[C@@H]2[NH2+]C[C@H](O)COc1cccc(Br)c1 ZINC000819079419 660245619 /nfs/dbraw/zinc/24/56/19/660245619.db2.gz AAKRSNGRGGRCEK-YOEHRIQHSA-N 1 0 392.297 2.954 20 0 GFADRO Cc1cc(Br)ccc1C[NH2+]C[C@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC000819046147 660244348 /nfs/dbraw/zinc/24/43/48/660244348.db2.gz IXWBNQUFLAKNCQ-KRWDZBQOSA-N 1 0 398.322 2.984 20 0 GFADRO C[C@@H](OC[C@H](O)C[NH2+]CCS(=O)(=O)C(C)(C)C)c1ccc(Cl)cc1 ZINC000819060339 660244980 /nfs/dbraw/zinc/24/49/80/660244980.db2.gz IBCDYYMJCNRVFY-CZUORRHYSA-N 1 0 377.934 2.581 20 0 GFADRO Cn1ccc(N2CCC[C@H]([NH2+]C[C@H](O)c3ccc(Cl)cc3Cl)C2=O)n1 ZINC000819112048 660246962 /nfs/dbraw/zinc/24/69/62/660246962.db2.gz AAUPDTMVIZWGBQ-GJZGRUSLSA-N 1 0 383.279 2.546 20 0 GFADRO C[C@@H](C[NH2+]C[C@@H](O)c1ccc(S(C)(=O)=O)cc1)Oc1ccccc1Cl ZINC000819115110 660246967 /nfs/dbraw/zinc/24/69/67/660246967.db2.gz CQZOKLOSHWZIPC-SUMWQHHRSA-N 1 0 383.897 2.834 20 0 GFADRO C[C@H](C[NH2+]C[C@H](O)c1ccc(S(C)(=O)=O)cc1)Oc1ccc(Cl)cc1 ZINC000819122363 660247252 /nfs/dbraw/zinc/24/72/52/660247252.db2.gz OPFRZLGSAWAGBD-ACJLOTCBSA-N 1 0 383.897 2.834 20 0 GFADRO CC(C)CS(=O)(=O)N1CCC([NH2+]C[C@H](O)c2ccc(F)cc2Cl)CC1 ZINC000819212209 660250281 /nfs/dbraw/zinc/25/02/81/660250281.db2.gz JXTBHOGREVNTND-KRWDZBQOSA-N 1 0 392.924 2.552 20 0 GFADRO C[C@@](O)(C[NH2+][C@@H]1CC[C@H](C(N)=O)C1)c1ccc(Br)cc1Cl ZINC000819360925 660256763 /nfs/dbraw/zinc/25/67/63/660256763.db2.gz MHQOZSBAIKSSPT-ZVWUFJHRSA-N 1 0 375.694 2.554 20 0 GFADRO Cc1cc(S(N)(=O)=O)ccc1C[NH2+]C[C@@H](O)c1ccc(Cl)cc1Cl ZINC000819266645 660252978 /nfs/dbraw/zinc/25/29/78/660252978.db2.gz GGLAKJSBLXUEAM-MRXNPFEDSA-N 1 0 389.304 2.772 20 0 GFADRO O=S(=O)(NCC[NH2+]C[C@H](O)c1ccccc1)c1cccc(Cl)c1Cl ZINC000819304132 660254176 /nfs/dbraw/zinc/25/41/76/660254176.db2.gz QZDIGZTZGGPJCD-AWEZNQCLSA-N 1 0 389.304 2.595 20 0 GFADRO Cc1cc(Br)cc(C)c1N1CCC[C@H]([NH2+]CCS(C)(=O)=O)C1 ZINC000819305178 660254390 /nfs/dbraw/zinc/25/43/90/660254390.db2.gz HHRSTOYEBYWWEQ-HNNXBMFYSA-N 1 0 389.359 2.669 20 0 GFADRO COC(=O)N1CCC(C[NH2+]C[C@@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000819307728 660254540 /nfs/dbraw/zinc/25/45/40/660254540.db2.gz FLTRRUQHUCMJBI-CQSZACIVSA-N 1 0 391.295 2.801 20 0 GFADRO Cc1cc(C[NH2+]C[C@@H](O)c2ccccc2Br)nc(N2CCCC2)n1 ZINC000819328109 660255108 /nfs/dbraw/zinc/25/51/08/660255108.db2.gz CQIKWSWYCTZHER-QGZVFWFLSA-N 1 0 391.313 2.971 20 0 GFADRO Cc1cc(C(=O)Nc2cccc(C[N@@H+]3CC[C@@H](O)C3)c2)cnc1Br ZINC000819972888 660276746 /nfs/dbraw/zinc/27/67/46/660276746.db2.gz BHOHKBBSGWMKHA-MRXNPFEDSA-N 1 0 390.281 2.971 20 0 GFADRO Cc1cc(C(=O)N2CC[C@H]3C[N@@H+](C)C[C@@H]32)nn1-c1ccccc1Br ZINC000820273057 660287175 /nfs/dbraw/zinc/28/71/75/660287175.db2.gz PHWNTRLMCAHAOD-GUYCJALGSA-N 1 0 389.297 2.719 20 0 GFADRO C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1nc(Br)c3ccccn31)C2 ZINC000821030140 660313747 /nfs/dbraw/zinc/31/37/47/660313747.db2.gz ABUUXSISHQHSQO-KRWDZBQOSA-N 1 0 377.286 2.655 20 0 GFADRO C[NH+](C)CCn1cc(NC(=O)NC[C@H](O)c2ccc(Cl)c(Cl)c2)cn1 ZINC000821501157 660327850 /nfs/dbraw/zinc/32/78/50/660327850.db2.gz NQGBODIHZHIGCR-HNNXBMFYSA-N 1 0 386.283 2.607 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)c1sccc1-c1nn[nH]n1)c1ccc(Cl)cc1 ZINC000821579503 660329593 /nfs/dbraw/zinc/32/95/93/660329593.db2.gz CZWCYQVRNUVGOH-CYBMUJFWSA-N 1 0 376.873 2.614 20 0 GFADRO C[C@]1(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1(Br)Br ZINC000822432994 660345460 /nfs/dbraw/zinc/34/54/60/660345460.db2.gz IUXRRIICPSBNFM-CKYFFXLPSA-N 1 0 380.124 2.626 20 0 GFADRO Brc1ccc(Cc2noc(-c3cn([C@H]4CCC[NH2+]C4)nn3)n2)cc1 ZINC000822639889 660350720 /nfs/dbraw/zinc/35/07/20/660350720.db2.gz HLZQRWMQPPXBDG-ZDUSSCGKSA-N 1 0 389.257 2.606 20 0 GFADRO CCOc1cc(Br)c(Cc2noc(CC[NH2+]C)n2)cc1OCC ZINC000822909552 660357760 /nfs/dbraw/zinc/35/77/60/660357760.db2.gz AYBYDKBGVUGVRC-UHFFFAOYSA-N 1 0 384.274 2.982 20 0 GFADRO C[C@H]([NH3+])[C@H](C)c1nc(Cc2nc3ccc(Br)cc3c(=O)[nH]2)no1 ZINC000822919399 660358136 /nfs/dbraw/zinc/35/81/36/660358136.db2.gz HAWWIGNAGKUQHV-YUMQZZPRSA-N 1 0 378.230 2.522 20 0 GFADRO COCC1(c2nc(-c3cc(Br)ccc3OC)no2)CC[NH2+]CC1 ZINC000822937580 660358502 /nfs/dbraw/zinc/35/85/02/660358502.db2.gz QRTLWXAGVKVFND-UHFFFAOYSA-N 1 0 382.258 2.775 20 0 GFADRO CSC1(CNC(=O)[C@H](O)c2ccc(C(F)(F)F)cc2)CC[NH+](C)CC1 ZINC000823019153 660359900 /nfs/dbraw/zinc/35/99/00/660359900.db2.gz JNONFLBOTISUIH-CQSZACIVSA-N 1 0 376.444 2.682 20 0 GFADRO CC[NH+]1CCC(N2CCCN(C(=O)c3cc(C)c(Br)o3)CC2)CC1 ZINC000823114606 660362217 /nfs/dbraw/zinc/36/22/17/660362217.db2.gz XMUZYMIKXKJTQL-UHFFFAOYSA-N 1 0 398.345 2.983 20 0 GFADRO Brc1ccc(OCCCCc2nc(N3CC[NH2+]CC3)no2)cc1 ZINC000823315924 660368257 /nfs/dbraw/zinc/36/82/57/660368257.db2.gz QKDNUEQNLQKSAK-UHFFFAOYSA-N 1 0 381.274 2.643 20 0 GFADRO C[C@H]1[NH2+]CC[C@H]1c1nc(-c2n[nH]c(-c3cccc(Br)c3)n2)no1 ZINC000823186247 660364418 /nfs/dbraw/zinc/36/44/18/660364418.db2.gz YXWJBHDWEPSBFT-LDYMZIIASA-N 1 0 375.230 2.750 20 0 GFADRO CC(C)[N@H+](CCS(C)(=O)=O)C[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000823470733 660373127 /nfs/dbraw/zinc/37/31/27/660373127.db2.gz MWBZQGBJKLFQDY-CVEARBPZSA-N 1 0 376.563 2.777 20 0 GFADRO Cc1cc(I)cc(C(=O)N2C[C@@H]3C[N@H+](C)CC[C@@H]3C2)c1 ZINC000823784194 660380009 /nfs/dbraw/zinc/38/00/09/660380009.db2.gz QAKLEWSAJKEQOR-OCCSQVGLSA-N 1 0 384.261 2.623 20 0 GFADRO CC(C)(C)[N@@H+]1CCCN(c2ccc(Br)cc2-c2nn[nH]n2)CC1 ZINC000824092866 660385131 /nfs/dbraw/zinc/38/51/31/660385131.db2.gz BBEZZERXUQUCFQ-UHFFFAOYSA-N 1 0 379.306 2.940 20 0 GFADRO C[C@@H](CNC(=O)c1csc(I)n1)[NH+]1CCC(C)CC1 ZINC000824245034 660388050 /nfs/dbraw/zinc/38/80/50/660388050.db2.gz NAWFZTQQQXHWHP-JTQLQIEISA-N 1 0 393.294 2.598 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)C[C@H]1C(=O)Nc2c1cccc2Br ZINC000824659160 660398999 /nfs/dbraw/zinc/39/89/99/660398999.db2.gz ZJHDAKVPPHMQJJ-DGCLKSJQSA-N 1 0 394.313 2.864 20 0 GFADRO CCC[NH+]1CCC(CNC(=O)c2csc(I)n2)CC1 ZINC000824963274 660406351 /nfs/dbraw/zinc/40/63/51/660406351.db2.gz OFYMTZQHJVRSNL-UHFFFAOYSA-N 1 0 393.294 2.600 20 0 GFADRO C[C@@H](Cc1cccc(C(F)(F)F)c1)[NH2+]CCS(=O)(=O)C1CCOCC1 ZINC000824903729 660404723 /nfs/dbraw/zinc/40/47/23/660404723.db2.gz LRJKQWDWDVBGHB-ZDUSSCGKSA-N 1 0 379.444 2.820 20 0 GFADRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)CC[C@@H]2CC2(Cl)Cl)CC1 ZINC000824998470 660407387 /nfs/dbraw/zinc/40/73/87/660407387.db2.gz QYDJLRUVVBXKEU-OWCLPIDISA-N 1 0 376.372 2.977 20 0 GFADRO Cn1c(Cl)nc(Cl)c1C[NH2+]C[C@H]1CN(C(=O)OC(C)(C)C)CCCO1 ZINC000825164028 660412919 /nfs/dbraw/zinc/41/29/19/660412919.db2.gz YQXHLEHWQRQLOP-NSHDSACASA-N 1 0 393.315 2.843 20 0 GFADRO O[C@@H](C[NH2+]Cc1cnc(C2OCCO2)s1)c1ccccc1Br ZINC000825344734 660422356 /nfs/dbraw/zinc/42/23/56/660422356.db2.gz XNSFWJFJEFVZOJ-ZDUSSCGKSA-N 1 0 385.283 2.774 20 0 GFADRO Cc1ccc(Br)c(C(=O)N[C@@H]2C[C@@H](N3CCOCC3)C23CCC3)n1 ZINC000825647867 660436144 /nfs/dbraw/zinc/43/61/44/660436144.db2.gz MVIZPOAICYTMBZ-HUUCEWRRSA-N 1 0 394.313 2.526 20 0 GFADRO Cn1nc(C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)cc1Br ZINC000825849170 660443652 /nfs/dbraw/zinc/44/36/52/660443652.db2.gz GGFLIRJWPNBNAN-CQSZACIVSA-N 1 0 377.286 2.577 20 0 GFADRO Cc1c(Br)cc(F)cc1C(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000826568403 660457193 /nfs/dbraw/zinc/45/71/93/660457193.db2.gz BRDLXIIWEZBEFG-AWEZNQCLSA-N 1 0 385.277 2.568 20 0 GFADRO Cc1nc(Br)sc1C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000826573056 660457930 /nfs/dbraw/zinc/45/79/30/660457930.db2.gz ZXNRNHZCRNQBDN-UHFFFAOYSA-N 1 0 388.331 2.589 20 0 GFADRO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC[C@@]2(C)[C@@H](C1)C2(Br)Br ZINC000852901714 661876915 /nfs/dbraw/zinc/87/69/15/661876915.db2.gz PCJPDLFHFUOQDW-KQXIARHKSA-N 1 0 394.151 2.729 20 0 GFADRO C[N@@H+]1CC[C@H]2CN(C(=O)c3ccc(-n4cc(Br)cn4)cc3)CC[C@@H]21 ZINC000827348023 660490375 /nfs/dbraw/zinc/49/03/75/660490375.db2.gz ZHPMHIKZHUNPJR-YOEHRIQHSA-N 1 0 389.297 2.801 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc(Br)cnc3OCC3CC3)CC[C@H]21 ZINC000827254188 660486224 /nfs/dbraw/zinc/48/62/24/660486224.db2.gz OQYWSRYULCDTLP-CZUORRHYSA-N 1 0 394.313 2.799 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccn(-c4ccc(Br)cc4)n3)CC[C@H]21 ZINC000827256387 660486258 /nfs/dbraw/zinc/48/62/58/660486258.db2.gz WFAYVXMETBETHA-CXAGYDPISA-N 1 0 389.297 2.801 20 0 GFADRO C[N@@H+]1CC[C@H]2CN(C(=O)c3cnc4ncc(Br)cc4c3)CC[C@H]21 ZINC000827277406 660487546 /nfs/dbraw/zinc/48/75/46/660487546.db2.gz KSWFRAKGKUNCOJ-XHDPSFHLSA-N 1 0 375.270 2.559 20 0 GFADRO CN(C(=O)[C@@]1(C)CC1(Br)Br)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000827293344 660487956 /nfs/dbraw/zinc/48/79/56/660487956.db2.gz YAVOJAILFFAIRK-CMPLNLGQSA-N 1 0 380.124 2.578 20 0 GFADRO Cc1ccc(I)cc1C(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000827302298 660488431 /nfs/dbraw/zinc/48/84/31/660488431.db2.gz UVNNVFARCMQKIV-SWLSCSKDSA-N 1 0 384.261 2.766 20 0 GFADRO CN1CC[NH+](C2CCN(C(=O)c3cc(F)c(Cl)c(N)c3Cl)CC2)CC1 ZINC000827430943 660495072 /nfs/dbraw/zinc/49/50/72/660495072.db2.gz XNHOTCACKSDOKX-UHFFFAOYSA-N 1 0 389.302 2.567 20 0 GFADRO CCN1CC[NH+](C[C@H](C)CNC(=O)c2cc3sccc3nc2Cl)CC1 ZINC000827539086 660501220 /nfs/dbraw/zinc/50/12/20/660501220.db2.gz XSOBMGQHNYTAAB-CYBMUJFWSA-N 1 0 380.945 2.953 20 0 GFADRO C[NH+]1C[C@@]2(C)CN(C(=O)c3cnn4cccc(Br)c34)C[C@]2(C)C1 ZINC000827598240 660504043 /nfs/dbraw/zinc/50/40/43/660504043.db2.gz NNPLMNYYNBDSIQ-IRXDYDNUSA-N 1 0 377.286 2.511 20 0 GFADRO Cc1[nH]nc(Br)c1C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000827842390 660518957 /nfs/dbraw/zinc/51/89/57/660518957.db2.gz QMEGDBYIBIUCBU-SWLSCSKDSA-N 1 0 391.313 2.979 20 0 GFADRO CN1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(Br)cnc1Br ZINC000827983306 660525133 /nfs/dbraw/zinc/52/51/33/660525133.db2.gz KEDFHXRCADROTO-AOOOYVTPSA-N 1 0 389.091 2.525 20 0 GFADRO C[NH+](C)CCn1ccc(NC(=O)NCCCc2cccc(Br)c2)n1 ZINC000608328273 651593363 /nfs/dbraw/zinc/59/33/63/651593363.db2.gz LGFLVNPKTTWNKF-UHFFFAOYSA-N 1 0 394.317 2.962 20 0 GFADRO C[NH+](C)Cc1ccc(C(=O)N[C@@H]2COc3cccc(Br)c3C2)cn1 ZINC000828027150 660527033 /nfs/dbraw/zinc/52/70/33/660527033.db2.gz NHZFEMMJWPIUKD-AWEZNQCLSA-N 1 0 390.281 2.639 20 0 GFADRO [NH3+][C@@H](CC(=O)NCC1(c2ccc(Br)cc2)CCOCC1)C1CC1 ZINC000828222328 660540043 /nfs/dbraw/zinc/54/00/43/660540043.db2.gz WLNBNDXUNKUONN-INIZCTEOSA-N 1 0 381.314 2.741 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2csc(I)n2)C[C@@H]1C ZINC000828491146 660550688 /nfs/dbraw/zinc/55/06/88/660550688.db2.gz VDWLYKOPJUAAOB-UWVGGRQHSA-N 1 0 393.294 2.693 20 0 GFADRO C[C@H](C(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1)c1ccc(I)cc1 ZINC000828511685 660553527 /nfs/dbraw/zinc/55/35/27/660553527.db2.gz NFHRFXBUBFHSRW-NOLJZWGESA-N 1 0 398.288 2.947 20 0 GFADRO CC(C)(C[NH+]1CCOCC1)C(=O)N[C@@H]1[C@H]2Cc3ccc(Br)cc3[C@@H]12 ZINC000828736545 660567554 /nfs/dbraw/zinc/56/75/54/660567554.db2.gz PITHSNKDQQPGEE-GVDBMIGSSA-N 1 0 393.325 2.562 20 0 GFADRO O=C1CC[C@H]([NH+]2CCN(c3ccc(C(F)(F)F)c(Cl)n3)CC2)CCN1 ZINC000829352657 660590123 /nfs/dbraw/zinc/59/01/23/660590123.db2.gz XRTQKRPVGFDMDA-NSHDSACASA-N 1 0 376.810 2.545 20 0 GFADRO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)C[C@@H]1C(=O)Nc2ccc(Br)cc21 ZINC000829563798 660600854 /nfs/dbraw/zinc/60/08/54/660600854.db2.gz NXTYWEHXLTWPQM-GUTXKFCHSA-N 1 0 392.297 2.570 20 0 GFADRO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)c1cc(Br)c2nccnc2c1 ZINC000829563578 660600892 /nfs/dbraw/zinc/60/08/92/660600892.db2.gz GXRUKBOHMQLAGL-QWHCGFSZSA-N 1 0 375.270 2.701 20 0 GFADRO O=C1OCCN1C[C@@H]1CC[N@@H+](CCOc2cc(F)cc(Br)c2)C1 ZINC000830124765 660636829 /nfs/dbraw/zinc/63/68/29/660636829.db2.gz OSTQMFLITFLPNR-GFCCVEGCSA-N 1 0 387.249 2.741 20 0 GFADRO Cc1ncsc1CCS(=O)(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000830231681 660643726 /nfs/dbraw/zinc/64/37/26/660643726.db2.gz POVQVKVPHHHIPI-UHFFFAOYSA-N 1 0 385.599 2.958 20 0 GFADRO Cc1c(Br)cccc1CCNC(=O)C1C[NH+](C2CCOCC2)C1 ZINC000830552532 660663286 /nfs/dbraw/zinc/66/32/86/660663286.db2.gz ZOIVBMFCWOOVCF-UHFFFAOYSA-N 1 0 381.314 2.527 20 0 GFADRO CN(C)C(=O)O[C@@H]1CCC[N@H+](C[C@@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000830568393 660664942 /nfs/dbraw/zinc/66/49/42/660664942.db2.gz HTYHLCQWWJEGHA-ZIAGYGMSSA-N 1 0 391.295 2.896 20 0 GFADRO C[NH+]1CCC2(CC1)CN(C[C@@H](O)COc1cc(Cl)ccc1Cl)CCO2 ZINC000830631075 660667904 /nfs/dbraw/zinc/66/79/04/660667904.db2.gz VNMWFXSNWTWWLF-OAHLLOKOSA-N 1 0 389.323 2.530 20 0 GFADRO CC[NH+](CC)C[C@H](C)NS(=O)(=O)c1cnc(Cl)c(Br)c1 ZINC000831190674 660702736 /nfs/dbraw/zinc/70/27/36/660702736.db2.gz FPSMZKXYYPGPKP-VIFPVBQESA-N 1 0 384.727 2.506 20 0 GFADRO [NH3+]CCCCCCNC(=O)NCCC(=O)Nc1ccc(Br)cc1 ZINC000831110079 660696244 /nfs/dbraw/zinc/69/62/44/660696244.db2.gz HJUONSHQHLZIQM-UHFFFAOYSA-N 1 0 385.306 2.596 20 0 GFADRO O=C(CC[C@@H]1CC1(Cl)Cl)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000831349866 660708681 /nfs/dbraw/zinc/70/86/81/660708681.db2.gz GAVMNMTXJQCTBB-GVDBMIGSSA-N 1 0 385.335 2.960 20 0 GFADRO Cn1nc(C(=O)N[C@@H](C[NH+](C)C)c2ccc(Cl)cc2)cc1Br ZINC000831490852 660711447 /nfs/dbraw/zinc/71/14/47/660711447.db2.gz VHRAKYKZVXPBQO-ZDUSSCGKSA-N 1 0 385.693 2.869 20 0 GFADRO C[C@@H]1CN(Cc2ccccc2)[C@@H](C)CN1C(=O)c1cc(Br)n[nH]1 ZINC000831508591 660711717 /nfs/dbraw/zinc/71/17/17/660711717.db2.gz QRTWNRVBSBNQCC-QWHCGFSZSA-N 1 0 377.286 2.907 20 0 GFADRO O=C(c1cccnc1I)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000831720690 660722261 /nfs/dbraw/zinc/72/22/61/660722261.db2.gz BAQINYIWBHTMDW-OLZOCXBDSA-N 1 0 399.276 2.538 20 0 GFADRO COc1c(Br)cc(C[NH2+]C[C@@H]2COCO2)cc1Br ZINC000894872030 663486025 /nfs/dbraw/zinc/48/60/25/663486025.db2.gz WNUWEAGBVWJLFD-SECBINFHSA-N 1 0 381.064 2.683 20 0 GFADRO CCC(O)(CC)C(C)(C)C[NH2+]Cc1cn(C)nc1I ZINC000895238463 663504323 /nfs/dbraw/zinc/50/43/23/663504323.db2.gz YUPQKHTZCVEHMB-UHFFFAOYSA-N 1 0 379.286 2.692 20 0 GFADRO Cc1nc(SCC(C)C)sc1CC(=O)N1CC[N@H+](C[C@H](C)O)C[C@@H]1C ZINC000832489799 660782538 /nfs/dbraw/zinc/78/25/38/660782538.db2.gz COSRDCSAMCIABK-KBPBESRZSA-N 1 0 385.599 2.656 20 0 GFADRO COC(=O)C1=C(C)O[C@H](C[N@H+](C)C[C@@H](O)c2ccccc2Br)C1 ZINC000832680846 660795082 /nfs/dbraw/zinc/79/50/82/660795082.db2.gz XOLZHIMTHUMVKN-BLLLJJGKSA-N 1 0 384.270 2.650 20 0 GFADRO CSc1ccc([C@@H](CNC(=O)c2cc(Br)n(C)n2)[NH+](C)C)cc1 ZINC000832933085 660803735 /nfs/dbraw/zinc/80/37/35/660803735.db2.gz KQFMWVYOERBRBF-CQSZACIVSA-N 1 0 397.342 2.937 20 0 GFADRO O=C(Cc1ccc(Cl)cc1Br)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000833574874 660808459 /nfs/dbraw/zinc/80/84/59/660808459.db2.gz LJBPXUPBPITJAJ-CQSZACIVSA-N 1 0 389.721 2.608 20 0 GFADRO C[C@H](NCc1ccc(N2CC[NH+](C)CC2)nc1)c1nc(Br)cs1 ZINC000834501935 660822456 /nfs/dbraw/zinc/82/24/56/660822456.db2.gz KXDXATVMUAEFRA-LBPRGKRZSA-N 1 0 396.358 2.903 20 0 GFADRO CC[C@H]([NH3+])CNC(=O)c1cnn(-c2ncccc2Cl)c1C(F)(F)Cl ZINC000834828037 660834584 /nfs/dbraw/zinc/83/45/84/660834584.db2.gz ZLEWUCLTGDGKEF-QMMMGPOBSA-N 1 0 378.210 2.676 20 0 GFADRO Cc1n[nH]c(C(=O)NC[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)c1Br ZINC000834835165 660834712 /nfs/dbraw/zinc/83/47/12/660834712.db2.gz RJDFZRGIKUJRJM-GXTWGEPZSA-N 1 0 395.276 2.743 20 0 GFADRO C[C@@H](CCCc1cccnc1)[NH2+]CC1CCN(S(=O)(=O)C(F)F)CC1 ZINC000834645351 660828676 /nfs/dbraw/zinc/82/86/76/660828676.db2.gz CYCOIOGWGXPPQV-AWEZNQCLSA-N 1 0 375.485 2.647 20 0 GFADRO C[C@H]1CCC[N@@H+]1CCNC(=O)C(=O)Nc1cc(Cl)cc(Br)c1 ZINC000835150946 660842755 /nfs/dbraw/zinc/84/27/55/660842755.db2.gz NJCFSNBXWHYLTK-JTQLQIEISA-N 1 0 388.693 2.642 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)Nc3cccc(Cl)c3SC(F)F)C[C@@H]21 ZINC000835794839 660875911 /nfs/dbraw/zinc/87/59/11/660875911.db2.gz USRFVXGHTFPGGH-SKDRFNHKSA-N 1 0 389.855 2.756 20 0 GFADRO CCC[N@@H+]1CC[C@@H](CNC(=O)NC[C@@H](O)c2ccccc2Br)C1 ZINC000836326882 660899941 /nfs/dbraw/zinc/89/99/41/660899941.db2.gz NEQQPYNUESKBMZ-XJKSGUPXSA-N 1 0 384.318 2.514 20 0 GFADRO CCCC[N@H+](C)C[C@@H](C)NC(=O)NC[C@H](O)c1ccccc1Br ZINC000836461401 660907762 /nfs/dbraw/zinc/90/77/62/660907762.db2.gz DKPDWXLHZSQJGH-CJNGLKHVSA-N 1 0 386.334 2.902 20 0 GFADRO O=C(Nc1ccnc(Br)c1)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000836696519 660932775 /nfs/dbraw/zinc/93/27/75/660932775.db2.gz HAUZBZPDHVAKMU-GJZGRUSLSA-N 1 0 397.317 2.734 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)CNC(=O)c1ccc(Br)cc1 ZINC000008351246 654483429 /nfs/dbraw/zinc/48/34/29/654483429.db2.gz ZELDHGLXFLVALS-CQSZACIVSA-N 1 0 396.329 2.560 20 0 GFADRO C[NH+](C)CCCNC(=S)NNC(=S)Nc1ccc(SC(F)F)cc1 ZINC000023102643 654536081 /nfs/dbraw/zinc/53/60/81/654536081.db2.gz NSQHUIIKNDMGHD-UHFFFAOYSA-N 1 0 393.554 2.619 20 0 GFADRO O=C(NCCC[NH+]1CCN(c2ccccc2)CC1)c1coc(Br)c1 ZINC000025865194 654554006 /nfs/dbraw/zinc/55/40/06/654554006.db2.gz VNYRLDWGARCQLZ-UHFFFAOYSA-N 1 0 392.297 2.984 20 0 GFADRO Cc1cc(C)nc(SCC(=O)NCC2([NH+]3CCSCC3)CCCC2)n1 ZINC000029366787 654576565 /nfs/dbraw/zinc/57/65/65/654576565.db2.gz FXOQPRSTEJTVIH-UHFFFAOYSA-N 1 0 380.583 2.663 20 0 GFADRO O=S(=O)(NC1CC[NH+](C2CC2)CC1)c1ccc(OC(F)F)c(Cl)c1 ZINC000030330822 654585214 /nfs/dbraw/zinc/58/52/14/654585214.db2.gz UGUOJJRVFRGHAV-UHFFFAOYSA-N 1 0 380.844 2.847 20 0 GFADRO C[NH+](C)CCNC(=O)c1ccc(NC(=O)c2coc(Br)c2)cc1 ZINC000031459210 654594281 /nfs/dbraw/zinc/59/42/81/654594281.db2.gz DFUOMCGRQATQCZ-UHFFFAOYSA-N 1 0 380.242 2.586 20 0 GFADRO C[C@H](C[NH+]1CCCCC1)NS(=O)(=O)c1cc(Br)cnc1Cl ZINC000041066360 654621971 /nfs/dbraw/zinc/62/19/71/654621971.db2.gz NSKPWSFXHITAKT-SNVBAGLBSA-N 1 0 396.738 2.650 20 0 GFADRO C[C@@H](CNC(=O)C(=O)Nc1ccc(Br)cc1Cl)[NH+]1CCCC1 ZINC000041598273 654627630 /nfs/dbraw/zinc/62/76/30/654627630.db2.gz ZFNINHDUNDMLKO-JTQLQIEISA-N 1 0 388.693 2.642 20 0 GFADRO C[C@@H](CNC(=O)C(=O)Nc1cccc(Br)c1)[N@@H+]1CCCC[C@H]1C ZINC000041644004 654628487 /nfs/dbraw/zinc/62/84/87/654628487.db2.gz IGSOQCOTBVIIQB-OLZOCXBDSA-N 1 0 382.302 2.767 20 0 GFADRO C[NH+](C)C1(CNC(=O)CCNC(=O)c2ccc(Br)cc2)CCCC1 ZINC000041670714 654629481 /nfs/dbraw/zinc/62/94/81/654629481.db2.gz PVKAFTWQSDISLF-UHFFFAOYSA-N 1 0 396.329 2.560 20 0 GFADRO C[NH+](C)Cc1cccc(C(=O)NC[C@@H](O)c2ccccc2Br)c1 ZINC000837199412 660977710 /nfs/dbraw/zinc/97/77/10/660977710.db2.gz UWPIWNOTYPHULR-QGZVFWFLSA-N 1 0 377.282 2.974 20 0 GFADRO COc1cccc([C@H](CNC(=O)c2cncc(Br)c2)[NH+](C)C)c1 ZINC000042674224 654642065 /nfs/dbraw/zinc/64/20/65/654642065.db2.gz VUUZDECNOMHFBE-INIZCTEOSA-N 1 0 378.270 2.885 20 0 GFADRO O=C(c1c(Br)nc2n1CCCC2)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000837377256 660990397 /nfs/dbraw/zinc/99/03/97/660990397.db2.gz QHNDLNGURZVBGT-ZDUSSCGKSA-N 1 0 381.318 2.682 20 0 GFADRO C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)[NH+]1CCC2(CC1)OCCO2 ZINC000045750384 654670986 /nfs/dbraw/zinc/67/09/86/654670986.db2.gz QZWZAEMUQRJLGB-AWEZNQCLSA-N 1 0 397.313 2.635 20 0 GFADRO CC(C)(CNC(=O)c1c(Br)nc2n1CCCC2)[NH+]1CCCCC1 ZINC000837313099 660985585 /nfs/dbraw/zinc/98/55/85/660985585.db2.gz IXVVOKPQASMFKD-UHFFFAOYSA-N 1 0 383.334 2.976 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc(F)cc1I ZINC000048238053 654704016 /nfs/dbraw/zinc/70/40/16/654704016.db2.gz JADAIHAEMDJRDF-ZIAGYGMSSA-N 1 0 388.224 2.787 20 0 GFADRO O=C(/C=C/c1ccc(Br)o1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000048480898 654708041 /nfs/dbraw/zinc/70/80/41/654708041.db2.gz SKUFWZMUFUISPW-DUXPYHPUSA-N 1 0 383.286 2.626 20 0 GFADRO CC[NH+](CC)CCNC(=O)c1cc(NC(=O)NCC(F)F)ccc1Cl ZINC000122015745 654728081 /nfs/dbraw/zinc/72/80/81/654728081.db2.gz NMULPTUFSCXHFR-UHFFFAOYSA-N 1 0 376.835 2.798 20 0 GFADRO O=C(NC[C@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1)[C@@H]1CCC[NH2+]1 ZINC000122025139 654728660 /nfs/dbraw/zinc/72/86/60/654728660.db2.gz ZFMQGKRBMCXNHB-WBMJQRKESA-N 1 0 384.307 2.714 20 0 GFADRO CCN1CC[NH+](C[C@H](C)CNC(=O)c2ccc(Br)cc2F)CC1 ZINC000122337964 654734463 /nfs/dbraw/zinc/73/44/63/654734463.db2.gz AQSPESAIOMPQEE-CYBMUJFWSA-N 1 0 386.309 2.592 20 0 GFADRO C[NH+](C)CCN1CCN(C(=O)c2ccc(C3SCCCS3)cc2)CC1 ZINC000053305341 654743676 /nfs/dbraw/zinc/74/36/76/654743676.db2.gz MHJDOVXTJXFXQP-UHFFFAOYSA-N 1 0 379.595 2.875 20 0 GFADRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2c(Br)nc3n2CCCC3)C1 ZINC000837480039 661000897 /nfs/dbraw/zinc/00/08/97/661000897.db2.gz FXUKQEJDLWNQQL-STQMWFEESA-N 1 0 381.318 2.538 20 0 GFADRO C[NH+]1CCC(NC(=O)[C@H]2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000054147868 654757599 /nfs/dbraw/zinc/75/75/99/654757599.db2.gz QIIJFMURBCMZMU-MRXNPFEDSA-N 1 0 384.307 2.808 20 0 GFADRO C[C@H]1C[C@@H](N(C)C(=O)CSc2nnc(-c3cccs3)n2C)CC[N@@H+]1C ZINC000123760263 654762697 /nfs/dbraw/zinc/76/26/97/654762697.db2.gz LICHLSHAGPYFOH-STQMWFEESA-N 1 0 379.555 2.577 20 0 GFADRO Cc1ccc(NC(=O)C(=O)N[C@@H](C)C[NH+]2CCCCC2)c(Br)c1 ZINC000123956588 654766928 /nfs/dbraw/zinc/76/69/28/654766928.db2.gz YDPIBCKUQUUKFJ-ZDUSSCGKSA-N 1 0 382.302 2.687 20 0 GFADRO O=C(C[NH2+]C1(c2cccc(Br)c2)CCOCC1)NCc1ccco1 ZINC000055055560 654768182 /nfs/dbraw/zinc/76/81/82/654768182.db2.gz ZXKSSGKMXRESJY-UHFFFAOYSA-N 1 0 393.281 2.954 20 0 GFADRO O=C(C[NH2+]C1(c2cccc(Br)c2)CCOCC1)Nc1nncs1 ZINC000055055662 654768278 /nfs/dbraw/zinc/76/82/78/654768278.db2.gz JZXONBYVTFNZBX-UHFFFAOYSA-N 1 0 397.298 2.535 20 0 GFADRO CCN(CC)Cc1nc(C2(NC(=O)[C@@H]3CC3(Cl)Cl)CCCC2)no1 ZINC000124238713 654772428 /nfs/dbraw/zinc/77/24/28/654772428.db2.gz OLHNBGQBWUZXSM-NSHDSACASA-N 1 0 375.300 2.991 20 0 GFADRO COC(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@@H](C)C[NH+]2CCCCC2)c1 ZINC000055281574 654772728 /nfs/dbraw/zinc/77/27/28/654772728.db2.gz VKWNYFVHALWGEK-CYBMUJFWSA-N 1 0 388.917 2.527 20 0 GFADRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)c1c(Br)nc2n1CCCC2 ZINC000837587281 661006434 /nfs/dbraw/zinc/00/64/34/661006434.db2.gz GVAKPHHMKMSTHR-LBPRGKRZSA-N 1 0 383.334 2.832 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)C(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000125554324 654797844 /nfs/dbraw/zinc/79/78/44/654797844.db2.gz OUPXSMBPMVBVNR-CYBMUJFWSA-N 1 0 382.302 2.687 20 0 GFADRO C[C@@H](CNC(=O)NNC(=O)c1ccccc1Br)C[NH+]1CCCCC1 ZINC000057044063 654798488 /nfs/dbraw/zinc/79/84/88/654798488.db2.gz CUXNBQBSIDEDQN-ZDUSSCGKSA-N 1 0 397.317 2.515 20 0 GFADRO C[NH+]1CCN(Cc2cccc(NC(=O)c3cncc(Br)c3)c2)CC1 ZINC000057054997 654798798 /nfs/dbraw/zinc/79/87/98/654798798.db2.gz ONEJESHIHXPAJJ-UHFFFAOYSA-N 1 0 389.297 2.844 20 0 GFADRO O=C(NCCc1ccc(F)c(Br)c1)N1CC[NH+](CC2CC2)CC1 ZINC000057128999 654801707 /nfs/dbraw/zinc/80/17/07/654801707.db2.gz SBUJBYWAZJMHIR-UHFFFAOYSA-N 1 0 384.293 2.868 20 0 GFADRO C[NH+](C)[C@H](CNS(=O)(=O)c1cccc(Br)c1)Cc1ccccc1 ZINC000057704481 654808521 /nfs/dbraw/zinc/80/85/21/654808521.db2.gz SQSXOFMXOAVLNH-INIZCTEOSA-N 1 0 397.338 2.900 20 0 GFADRO C[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cccc(Cl)c1SCC(F)F ZINC000126348646 654812556 /nfs/dbraw/zinc/81/25/56/654812556.db2.gz IXFCCKNNDHLETF-JTQLQIEISA-N 1 0 391.871 2.846 20 0 GFADRO Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)c1cc(C(N)=O)cs1 ZINC000126475079 654814487 /nfs/dbraw/zinc/81/44/87/654814487.db2.gz KQBRKHIIWSIVKD-UHFFFAOYSA-N 1 0 375.519 2.957 20 0 GFADRO Cc1ccc(Br)cc1S(=O)(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000058118436 654815653 /nfs/dbraw/zinc/81/56/53/654815653.db2.gz DBKQTBMUFZAUMA-LBPRGKRZSA-N 1 0 375.332 2.768 20 0 GFADRO C[C@@H](CNC(=O)N(C)C[C@H](O)c1ccccc1Br)C[NH+]1CCCC1 ZINC000837715856 661013113 /nfs/dbraw/zinc/01/31/13/661013113.db2.gz QPYPTJBWWXFYBM-YOEHRIQHSA-N 1 0 398.345 2.856 20 0 GFADRO Nc1cc(N)[nH+]c(SCc2nc(-c3cc(Br)cs3)no2)n1 ZINC000059833340 654826039 /nfs/dbraw/zinc/82/60/39/654826039.db2.gz JGDYEYGWMUBGAV-UHFFFAOYSA-N 1 0 385.272 2.807 20 0 GFADRO O=S(=O)(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1cccc(Cl)c1F ZINC000127534221 654831681 /nfs/dbraw/zinc/83/16/81/654831681.db2.gz YGBUXUTUJUXIQA-HUUCEWRRSA-N 1 0 390.908 2.525 20 0 GFADRO O=S(=O)(NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1cccc(Cl)c1F ZINC000127534435 654831718 /nfs/dbraw/zinc/83/17/18/654831718.db2.gz YGBUXUTUJUXIQA-LSDHHAIUSA-N 1 0 390.908 2.525 20 0 GFADRO O=C(c1c[nH]c2cccc(Br)c21)N1CC[NH+](C2CCOCC2)CC1 ZINC000128636669 654849356 /nfs/dbraw/zinc/84/93/56/654849356.db2.gz UOWBYBUWUBSVLN-UHFFFAOYSA-N 1 0 392.297 2.867 20 0 GFADRO O=C(N[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1c[nH]c(=O)c(Br)c1 ZINC000266107556 654857345 /nfs/dbraw/zinc/85/73/45/654857345.db2.gz TUVFWULZXQWAJH-HNNXBMFYSA-N 1 0 390.281 2.944 20 0 GFADRO CC(C)[C@@H]1CCC[N@@H+]1CN1C(=O)C(=O)N(c2ccc(Br)cc2)C1=O ZINC000063858675 654859109 /nfs/dbraw/zinc/85/91/09/654859109.db2.gz QFOCLXYUTOIACT-AWEZNQCLSA-N 1 0 394.269 2.822 20 0 GFADRO CC[NH+]1CCN([C@H]2CCN(C(=O)c3cc(Br)ccc3C)C2)CC1 ZINC000266156317 654859835 /nfs/dbraw/zinc/85/98/35/654859835.db2.gz RZRJNRKIJXZUPQ-INIZCTEOSA-N 1 0 380.330 2.610 20 0 GFADRO COc1cc(C[NH2+][C@@H]2CCSC2)cc(I)c1OC ZINC000266178320 654861261 /nfs/dbraw/zinc/86/12/61/654861261.db2.gz UOIJYMLQYDDMSG-SNVBAGLBSA-N 1 0 379.263 2.904 20 0 GFADRO CC[NH+]1CCN(C[C@H](C)CNS(=O)(=O)/C=C/c2ccccc2Cl)CC1 ZINC000266213469 654863776 /nfs/dbraw/zinc/86/37/76/654863776.db2.gz QVMWOXVDLLHQFC-WDBUWWRISA-N 1 0 385.961 2.504 20 0 GFADRO Cc1cc(Br)c(S(=O)(=O)NC2CC[NH+](CC3CC3)CC2)s1 ZINC000266259134 654866647 /nfs/dbraw/zinc/86/66/47/654866647.db2.gz YLAYZXMWTOTJKY-UHFFFAOYSA-N 1 0 393.372 2.972 20 0 GFADRO CC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2sc(C)cc2Br)C1 ZINC000266266686 654867472 /nfs/dbraw/zinc/86/74/72/654867472.db2.gz FTNDEPLQMGIJFS-NSHDSACASA-N 1 0 381.361 2.781 20 0 GFADRO CC[NH+](CC)C[C@H]1CCN(S(=O)(=O)N(C)Cc2c(F)cccc2Cl)C1 ZINC000266333481 654873184 /nfs/dbraw/zinc/87/31/84/654873184.db2.gz TZEQEVBYORAXGD-CQSZACIVSA-N 1 0 391.940 2.819 20 0 GFADRO O=C(NC[C@H]1CCC[NH2+]C1)c1cc(Cl)ccc1I ZINC000129877096 654876073 /nfs/dbraw/zinc/87/60/73/654876073.db2.gz QAADMWFRIZFIQM-VIFPVBQESA-N 1 0 378.641 2.674 20 0 GFADRO CCCNC(=O)[C@H]1CCC[N@H+](C[C@@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000065244073 654879574 /nfs/dbraw/zinc/87/95/74/654879574.db2.gz PICDRYBAMFFUQX-UONOGXRCSA-N 1 0 389.323 2.971 20 0 GFADRO COCCN1[C@H](C)C[N@@H+](CCC(=O)Nc2ccc(Br)cc2)C[C@@H]1C ZINC000130421584 654887591 /nfs/dbraw/zinc/88/75/91/654887591.db2.gz XQZSECHAFIONLJ-GASCZTMLSA-N 1 0 398.345 2.819 20 0 GFADRO CC(=O)Nc1nc(C(=O)N(CC[NH+](C)C)Cc2cccc(Cl)c2)cs1 ZINC000065936752 654891025 /nfs/dbraw/zinc/89/10/25/654891025.db2.gz KRYWCTXEVUOTCB-UHFFFAOYSA-N 1 0 380.901 2.959 20 0 GFADRO CC[N@H+](CCNC(=O)N(C)C[C@H](O)c1ccccc1Br)C(C)C ZINC000838185916 661032003 /nfs/dbraw/zinc/03/20/03/661032003.db2.gz KUZHUNXFQIRVDK-INIZCTEOSA-N 1 0 386.334 2.854 20 0 GFADRO Cc1c(Br)cccc1CN1CCN([C@@H](C)C(=O)NC2CC2)CC1 ZINC000130962760 654894248 /nfs/dbraw/zinc/89/42/48/654894248.db2.gz LSGGKSVKLHCUPP-AWEZNQCLSA-N 1 0 380.330 2.542 20 0 GFADRO CN(C1CC[NH+](C2CCOCC2)CC1)S(=O)(=O)c1ccc(Cl)cc1F ZINC000066103554 654894892 /nfs/dbraw/zinc/89/48/92/654894892.db2.gz RUIDVJNCOXDFOC-UHFFFAOYSA-N 1 0 390.908 2.743 20 0 GFADRO NC(=O)[C@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1c(Cl)cccc1C(F)(F)F ZINC000131183701 654897788 /nfs/dbraw/zinc/89/77/88/654897788.db2.gz OJAMOFJVPUGXBU-CABZTGNLSA-N 1 0 377.794 2.931 20 0 GFADRO C[C@H](C(=O)Nc1ccc(Cl)cn1)N1CC[NH+](CCc2cccs2)CC1 ZINC000066435044 654901527 /nfs/dbraw/zinc/90/15/27/654901527.db2.gz FGQDLFSKXNIGRK-CQSZACIVSA-N 1 0 378.929 2.984 20 0 GFADRO C[C@@H]([NH2+]C1CCN(CC(=O)N(C)C)CC1)c1ccc(Br)c(F)c1 ZINC000131501215 654908698 /nfs/dbraw/zinc/90/86/98/654908698.db2.gz ASLWJVAXCQNIDL-GFCCVEGCSA-N 1 0 386.309 2.791 20 0 GFADRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)NC[C@@H](O)c2ccccc2Br)C1 ZINC000838314257 661040014 /nfs/dbraw/zinc/04/00/14/661040014.db2.gz RKBKOYVMZJTPBC-RHSMWYFYSA-N 1 0 398.345 2.902 20 0 GFADRO CC(=O)Nc1ccc(S(=O)(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)cc1Cl ZINC000267214408 654917924 /nfs/dbraw/zinc/91/79/24/654917924.db2.gz PBACCMVMDAQUJJ-CQSZACIVSA-N 1 0 387.933 2.793 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2ccc(NC(C)=O)c(Cl)c2)[C@@H](C)C1 ZINC000267250604 654920186 /nfs/dbraw/zinc/92/01/86/654920186.db2.gz UVERWMRBVXBVSF-YVEFUNNKSA-N 1 0 387.933 2.649 20 0 GFADRO C#CCOc1ccc(Br)cc1C[NH2+]C1CCN(C(=O)OC)CC1 ZINC000067254900 654934619 /nfs/dbraw/zinc/93/46/19/654934619.db2.gz JCBCYAXOADXYKC-UHFFFAOYSA-N 1 0 381.270 2.782 20 0 GFADRO O=C(NCC[NH2+]Cc1ccccc1I)c1ccc(F)cc1 ZINC000067249361 654934629 /nfs/dbraw/zinc/93/46/29/654934629.db2.gz ZLYWVJJOFYFWFX-UHFFFAOYSA-N 1 0 398.219 2.950 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)Nc1cc(Br)cn(C)c1=O ZINC000267554208 654934644 /nfs/dbraw/zinc/93/46/44/654934644.db2.gz CYZBECXMLPPGJF-CYBMUJFWSA-N 1 0 399.333 2.924 20 0 GFADRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@@H]1CSCCS1 ZINC000132474622 654938702 /nfs/dbraw/zinc/93/87/02/654938702.db2.gz MVGRTRGRBUBDOV-ZWKOTPCHSA-N 1 0 379.595 2.999 20 0 GFADRO C[C@H](NC(=O)C[NH+]1CCC2(CNC(=O)C2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000267641082 654939763 /nfs/dbraw/zinc/93/97/63/654939763.db2.gz ISWABYDCXKOCMT-LBPRGKRZSA-N 1 0 384.307 2.773 20 0 GFADRO C[C@H](NC(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1)c1ccc(Br)cc1 ZINC000067582592 654940933 /nfs/dbraw/zinc/94/09/33/654940933.db2.gz WVUCQFQTNNZNHV-WMLDXEAASA-N 1 0 398.345 2.902 20 0 GFADRO C[C@H](NC(=O)NC[C@H](O)C[NH+]1CCC(C)CC1)c1ccc(Br)cc1 ZINC000067582594 654941314 /nfs/dbraw/zinc/94/13/14/654941314.db2.gz WVUCQFQTNNZNHV-YOEHRIQHSA-N 1 0 398.345 2.902 20 0 GFADRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)/C=C/c2ccc(I)o2)C1 ZINC000067634944 654942288 /nfs/dbraw/zinc/94/22/88/654942288.db2.gz WHFLDSKYKQIVLL-FUEXJSSKSA-N 1 0 388.249 2.744 20 0 GFADRO Cc1ccc(C[NH2+]Cc2ccccc2CS(=O)(=O)N2CCOCC2)s1 ZINC000067693165 654943100 /nfs/dbraw/zinc/94/31/00/654943100.db2.gz LFQLQTAIUKDPQU-UHFFFAOYSA-N 1 0 380.535 2.508 20 0 GFADRO COC(=O)c1cc(C[NH2+]Cc2cc(Br)c(OC)c(OC)c2)c[nH]1 ZINC000267783739 654946330 /nfs/dbraw/zinc/94/63/30/654946330.db2.gz CXHVGDFPSLXMLN-UHFFFAOYSA-N 1 0 383.242 2.871 20 0 GFADRO C[C@H]1C[NH+](CCC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2Cl)C[C@@H]1C ZINC000267818478 654947640 /nfs/dbraw/zinc/94/76/40/654947640.db2.gz OGBOLMJKGGDOPW-STQMWFEESA-N 1 0 387.933 2.507 20 0 GFADRO COc1c(Cl)cc(NC(=O)C(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)cc1Cl ZINC000267890003 654950375 /nfs/dbraw/zinc/95/03/75/654950375.db2.gz IJIYIZNDEZTJBO-GXSJLCMTSA-N 1 0 386.279 2.682 20 0 GFADRO C[NH+](C)C1CCN(C(=O)[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)CC1 ZINC000068079600 654953816 /nfs/dbraw/zinc/95/38/16/654953816.db2.gz OQFONLKMCMERCP-CQSZACIVSA-N 1 0 384.307 2.899 20 0 GFADRO CC(C)[NH+]1CCC(O)(CNC(=O)C2(c3ccc(Br)cc3)CC2)CC1 ZINC000268432760 654971361 /nfs/dbraw/zinc/97/13/61/654971361.db2.gz DIUHSCYILXIPMQ-UHFFFAOYSA-N 1 0 395.341 2.832 20 0 GFADRO O=C(c1ccc(Cl)cc1Br)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000268456882 654972787 /nfs/dbraw/zinc/97/27/87/654972787.db2.gz XVMUEKMFUWZFEC-GFCCVEGCSA-N 1 0 387.705 2.897 20 0 GFADRO C[NH+](C)[C@H](CNS(=O)(=O)c1ccc(Br)cc1)Cc1ccccc1 ZINC000069090009 654972838 /nfs/dbraw/zinc/97/28/38/654972838.db2.gz YKNZZPVSBUCHEJ-INIZCTEOSA-N 1 0 397.338 2.900 20 0 GFADRO CCOC(=O)[C@@H](Cc1cc(Cl)cc(Cl)c1)NC(=O)C1CC[NH+](C)CC1 ZINC000268462248 654973013 /nfs/dbraw/zinc/97/30/13/654973013.db2.gz MUVLMRNEOAKWAM-MRXNPFEDSA-N 1 0 387.307 2.926 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)N(C)C[C@@H](O)c2ccccc2Br)CC[N@@H+]1C ZINC000838490220 661047384 /nfs/dbraw/zinc/04/73/84/661047384.db2.gz BWDHYDDNOKJTCP-DVOMOZLQSA-N 1 0 384.318 2.607 20 0 GFADRO CN(C[C@H](O)c1ccccc1Br)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000838484564 661047412 /nfs/dbraw/zinc/04/74/12/661047412.db2.gz HLROMWBGCTYRNS-PBHICJAKSA-N 1 0 396.329 2.608 20 0 GFADRO C[NH+]1CCN(Cc2ccc(C(=O)Nc3ccc(Br)nc3)cc2)CC1 ZINC000133865208 654975511 /nfs/dbraw/zinc/97/55/11/654975511.db2.gz VFBYXWCXFCBAMJ-UHFFFAOYSA-N 1 0 389.297 2.844 20 0 GFADRO CN([C@@H]1CC[N@H+](Cc2ccccc2)C1)S(=O)(=O)Cc1ccc(Cl)nc1 ZINC000268613871 654979767 /nfs/dbraw/zinc/97/97/67/654979767.db2.gz YYAFTALVQYMKMM-QGZVFWFLSA-N 1 0 379.913 2.771 20 0 GFADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)CCOc1cccc(Cl)c1Cl ZINC000069577506 654983689 /nfs/dbraw/zinc/98/36/89/654983689.db2.gz DAQHGUBEYMVVQG-ZDUSSCGKSA-N 1 0 375.296 2.989 20 0 GFADRO C[NH2+][C@H]1CCCN(C(=O)[C@H]2CCCN2C(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000134140925 654984661 /nfs/dbraw/zinc/98/46/61/654984661.db2.gz SKRIINYLWIHWBX-XJKSGUPXSA-N 1 0 384.307 2.808 20 0 GFADRO O=C(COc1cc(Cl)ccc1Cl)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000069746452 654985970 /nfs/dbraw/zinc/98/59/70/654985970.db2.gz ACWPSNWACUIEGX-AWEZNQCLSA-N 1 0 387.307 2.943 20 0 GFADRO CCS(=O)(=O)N(C)CCC[NH2+][C@H](C)c1ccc(OC(F)F)c(OC)c1 ZINC000268784307 654986539 /nfs/dbraw/zinc/98/65/39/654986539.db2.gz ATECGVISHIXJPN-GFCCVEGCSA-N 1 0 380.457 2.619 20 0 GFADRO C[C@H](NCc1cn2ccsc2n1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000268819156 654987852 /nfs/dbraw/zinc/98/78/52/654987852.db2.gz RCSGVHZMTGFMCE-ZDUSSCGKSA-N 1 0 376.507 2.787 20 0 GFADRO C[C@@H]([NH2+]CCNC(=O)OC(C)(C)C)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000268838416 654988724 /nfs/dbraw/zinc/98/87/24/654988724.db2.gz VBLBITWRXUDASP-LLVKDONJSA-N 1 0 378.441 2.858 20 0 GFADRO C[C@@H]([NH2+]CC1CCSCC1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000268846330 654988896 /nfs/dbraw/zinc/98/88/96/654988896.db2.gz BKXRPEJWJSLOFY-OAHLLOKOSA-N 1 0 384.567 2.501 20 0 GFADRO Cc1c([C@@H](C)[NH2+]C[C@]2(O)CCSC2)nnn1-c1cccc(Br)c1 ZINC000268926198 654991530 /nfs/dbraw/zinc/99/15/30/654991530.db2.gz LCEXTMXUHQBZEI-BDJLRTHQSA-N 1 0 397.342 2.857 20 0 GFADRO C[C@H]([NH2+]C[C@@H](O)COc1cccc(Br)c1)c1nnc2ccccn21 ZINC000070869368 654996280 /nfs/dbraw/zinc/99/62/80/654996280.db2.gz QWKZTAGYKVVMEY-GXTWGEPZSA-N 1 0 391.269 2.582 20 0 GFADRO CC(C)[C@@H]([NH3+])C(=O)N1CCC(C(=O)Nc2cccc(Br)c2)CC1 ZINC000269056114 654996347 /nfs/dbraw/zinc/99/63/47/654996347.db2.gz QNHIIJNGUXEZTG-OAHLLOKOSA-N 1 0 382.302 2.610 20 0 GFADRO C[C@H](CCS(C)(=O)=O)[NH2+]Cc1nc(-c2cccc(Br)c2)c[nH]1 ZINC000134588491 654997093 /nfs/dbraw/zinc/99/70/93/654997093.db2.gz QDMUNMAXURPYIM-LLVKDONJSA-N 1 0 386.315 2.752 20 0 GFADRO C[C@@H]1CN(C(=O)[C@@H](c2ccc(Cl)cc2Cl)N2CCOCC2)CC[C@@H]1[NH3+] ZINC000269188799 655001157 /nfs/dbraw/zinc/00/11/57/655001157.db2.gz GTRPHEWACPLUTQ-OAUYIBNBSA-N 1 0 386.323 2.562 20 0 GFADRO C[NH+](C)[C@@H]1CCN(c2ccc(NC(=O)c3cccnc3Br)nc2)C1 ZINC000269408063 655008667 /nfs/dbraw/zinc/00/86/67/655008667.db2.gz GKJFTVJILWIBNT-CYBMUJFWSA-N 1 0 390.285 2.632 20 0 GFADRO O=C(Cc1cc(F)ccc1Br)NCC1([NH+]2CCCC2)CCOCC1 ZINC000269496493 655011467 /nfs/dbraw/zinc/01/14/67/655011467.db2.gz YOVUADBWSXWQTM-UHFFFAOYSA-N 1 0 399.304 2.892 20 0 GFADRO COCC[N@H+](CCO)Cc1c(C)nn(-c2ccc(Br)cc2)c1C ZINC000093005732 655016705 /nfs/dbraw/zinc/01/67/05/655016705.db2.gz HIKYTIXCYZUKDA-UHFFFAOYSA-N 1 0 382.302 2.692 20 0 GFADRO CCOC(=O)C1(NC(=O)CCc2ccc(Br)cc2)CC[NH+](C)CC1 ZINC000135450446 655017197 /nfs/dbraw/zinc/01/71/97/655017197.db2.gz YVFCVHUQFGILOL-UHFFFAOYSA-N 1 0 397.313 2.525 20 0 GFADRO O[C@H](COc1c(Cl)cccc1Cl)C[N@@H+]1CCS[C@H]2COCC[C@@H]21 ZINC000135518650 655018784 /nfs/dbraw/zinc/01/87/84/655018784.db2.gz IWAMXEPDRDFZRH-CQDKDKBSSA-N 1 0 378.321 2.939 20 0 GFADRO Cn1cc(C[NH2+]CCNS(=O)(=O)c2ccc(Cl)s2)c(C(C)(C)C)n1 ZINC000093968923 655025409 /nfs/dbraw/zinc/02/54/09/655025409.db2.gz JHYIAZQRSIZVAT-UHFFFAOYSA-N 1 0 390.962 2.501 20 0 GFADRO COc1ccc(CC[NH2+]Cc2cc3ccccc3s2)cc1S(N)(=O)=O ZINC000094013575 655025858 /nfs/dbraw/zinc/02/58/58/655025858.db2.gz QGWKETQDJLQBMN-UHFFFAOYSA-N 1 0 376.503 2.890 20 0 GFADRO Cc1ncc(S(=O)(=O)N2CCC([N@@H+]3CCc4ccccc4C3)CC2)s1 ZINC000269944029 655028432 /nfs/dbraw/zinc/02/84/32/655028432.db2.gz GAUFDPIWRJVBFU-UHFFFAOYSA-N 1 0 377.535 2.663 20 0 GFADRO CC1CC[NH+](CC(=O)NC[C@H](O)COc2cccc(Cl)c2Cl)CC1 ZINC000136215905 655028818 /nfs/dbraw/zinc/02/88/18/655028818.db2.gz UDMSTNSFBRBSRL-ZDUSSCGKSA-N 1 0 375.296 2.581 20 0 GFADRO CC(=O)N1CCC(C[NH2+]Cc2cn(-c3cccc(Cl)c3Cl)nn2)CC1 ZINC000269953060 655028842 /nfs/dbraw/zinc/02/88/42/655028842.db2.gz HKYODSLFUNKFBJ-UHFFFAOYSA-N 1 0 382.295 2.922 20 0 GFADRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)S(=O)(=O)c1cncc(Cl)c1 ZINC000270012022 655031046 /nfs/dbraw/zinc/03/10/46/655031046.db2.gz USTPBARAFLSGQT-INIZCTEOSA-N 1 0 379.913 2.878 20 0 GFADRO CN(CCN(C)S(=O)(=O)c1ccc(Cl)c(Cl)c1)C1CC[NH+](C)CC1 ZINC000097000214 655033064 /nfs/dbraw/zinc/03/30/64/655033064.db2.gz KXBWPKKKKBGDON-UHFFFAOYSA-N 1 0 394.368 2.640 20 0 GFADRO C[N@H+](CCNC(=O)N[C@H](CO)c1cccc(Br)c1)C1CCCC1 ZINC000139007110 655043965 /nfs/dbraw/zinc/04/39/65/655043965.db2.gz OHMDSUXNDPQNQU-MRXNPFEDSA-N 1 0 384.318 2.656 20 0 GFADRO COc1cc(C[NH2+][C@](C)(CO)C2CC2)cc(I)c1OC ZINC000151157597 655048518 /nfs/dbraw/zinc/04/85/18/655048518.db2.gz CJGYJZZIZLHJEX-OAHLLOKOSA-N 1 0 391.249 2.559 20 0 GFADRO CC[N@H+](C)CCNC(=O)NCc1cc(Br)ccc1OC(F)F ZINC000102004154 655049537 /nfs/dbraw/zinc/04/95/37/655049537.db2.gz PCDCBFQFDCEEPI-UHFFFAOYSA-N 1 0 380.233 2.801 20 0 GFADRO CCn1ncc(C[NH2+]CC2(c3cccc(Br)c3)CCOCC2)n1 ZINC000838906876 661063219 /nfs/dbraw/zinc/06/32/19/661063219.db2.gz NSIZKSMCRFMTQF-UHFFFAOYSA-N 1 0 379.302 2.899 20 0 GFADRO CCN1C(=O)CN(CN2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)C1=O ZINC000151563051 655052452 /nfs/dbraw/zinc/05/24/52/655052452.db2.gz HZERVPYEWWUJGS-JTQLQIEISA-N 1 0 376.404 2.583 20 0 GFADRO COc1cc(C(=O)N2C[C@@H](SC)[C@H]([NH+](C)C)C2)sc1Br ZINC000270740569 655054689 /nfs/dbraw/zinc/05/46/89/655054689.db2.gz AAUDTIPJJHAGKE-LDYMZIIASA-N 1 0 379.345 2.637 20 0 GFADRO CCCCCC[NH2+][C@@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000151872075 655054840 /nfs/dbraw/zinc/05/48/40/655054840.db2.gz HJOWRFNEHZBMTJ-AWEZNQCLSA-N 1 0 376.544 2.643 20 0 GFADRO Cc1nn(C)c(C)c1C[NH2+]CCCNC(=O)c1ccc(Br)cc1 ZINC000102429021 655055357 /nfs/dbraw/zinc/05/53/57/655055357.db2.gz APHUINYOTJHRAB-UHFFFAOYSA-N 1 0 379.302 2.709 20 0 GFADRO CC[N@H+](CCNC(=O)NCCC(=O)Nc1ccc(Br)cc1)C(C)C ZINC000102559620 655056006 /nfs/dbraw/zinc/05/60/06/655056006.db2.gz SYNLPPNCUWWXEJ-UHFFFAOYSA-N 1 0 399.333 2.807 20 0 GFADRO C[C@H](NC(=O)NNc1c(Cl)cc(Cl)cc1Cl)[C@@H]1CN(C)CCO1 ZINC000152563982 655059909 /nfs/dbraw/zinc/05/99/09/655059909.db2.gz OUDLALZBPJICJT-UFBFGSQYSA-N 1 0 381.691 2.992 20 0 GFADRO C[NH+]1CCC(CCNC(=O)N[C@H](CO)c2ccc(Br)cc2)CC1 ZINC000271091536 655066410 /nfs/dbraw/zinc/06/64/10/655066410.db2.gz VELMXORZLSAZLT-MRXNPFEDSA-N 1 0 384.318 2.514 20 0 GFADRO CCS(=O)(=O)NCCC[NH2+][C@@H](Cc1ccc(Cl)cc1)c1ccccn1 ZINC000271117113 655067112 /nfs/dbraw/zinc/06/71/12/655067112.db2.gz CFOQULJVCADNSB-SFHVURJKSA-N 1 0 381.929 2.938 20 0 GFADRO COc1cc(Br)cc(NC(=O)N2CC[NH+](C3CCOCC3)CC2)c1 ZINC000271181272 655069051 /nfs/dbraw/zinc/06/90/51/655069051.db2.gz DQAGOZONCZGRHM-UHFFFAOYSA-N 1 0 398.301 2.786 20 0 GFADRO CCN(CCS(C)(=O)=O)C[C@H](O)COc1cc(C)c(Cl)cc1C(C)C ZINC000154245872 655074239 /nfs/dbraw/zinc/07/42/39/655074239.db2.gz HNWSDKYQEBTBAT-HNNXBMFYSA-N 1 0 391.961 2.878 20 0 GFADRO COc1cc[nH+]c(N2CCN(C(=O)c3oc(Br)cc3C)CC2)c1 ZINC000104519527 655081670 /nfs/dbraw/zinc/08/16/70/655081670.db2.gz TVUVJJWWADOZEY-UHFFFAOYSA-N 1 0 380.242 2.717 20 0 GFADRO CS(=O)(=O)N1CC[C@H](C[NH2+][C@@H]2CCCc3ccc(Br)cc32)C1 ZINC000271530550 655084343 /nfs/dbraw/zinc/08/43/43/655084343.db2.gz QVXHBKYAKSOGBU-MLGOLLRUSA-N 1 0 387.343 2.698 20 0 GFADRO C[C@H](CC[S@@](C)=O)[NH2+][C@H](C)CC(=O)Nc1ccc(Br)cc1 ZINC000271541490 655084736 /nfs/dbraw/zinc/08/47/36/655084736.db2.gz UJUMCCCTUVTHNP-JWCBKOKGSA-N 1 0 375.332 2.913 20 0 GFADRO CC[NH+](CC)CCN(CCOC)S(=O)(=O)c1c(Cl)cccc1Cl ZINC000104751991 655085939 /nfs/dbraw/zinc/08/59/39/655085939.db2.gz WYVBEZKSRHZZFE-UHFFFAOYSA-N 1 0 383.341 2.972 20 0 GFADRO COc1c(Br)cc(Cl)cc1S(=O)(=O)N1CC[C@@H]([NH3+])C[C@H]1C ZINC000156161451 655089981 /nfs/dbraw/zinc/08/99/81/655089981.db2.gz LLPPYAGFQYZTHE-PSASIEDQSA-N 1 0 397.722 2.611 20 0 GFADRO [NH3+][C@@H](Cc1ccccc1)C(=O)N1CCO[C@@H](c2ccccc2Br)C1 ZINC000156175055 655090215 /nfs/dbraw/zinc/09/02/15/655090215.db2.gz COVAQALMAUAIPS-ZWKOTPCHSA-N 1 0 389.293 2.919 20 0 GFADRO C[C@H]([NH2+]CCc1ccccc1Br)c1cccc(S(N)(=O)=O)c1 ZINC000271671727 655090599 /nfs/dbraw/zinc/09/05/99/655090599.db2.gz IJSGFKMEBDDHAZ-LBPRGKRZSA-N 1 0 383.311 2.990 20 0 GFADRO O=S(=O)(CC[NH2+][C@H](CCO)c1ccccc1)c1cccc(Br)c1 ZINC000271681418 655091164 /nfs/dbraw/zinc/09/11/64/655091164.db2.gz OYCILFXLWIVVOW-QGZVFWFLSA-N 1 0 398.322 2.936 20 0 GFADRO COC(=O)c1sccc1NC(=O)C[NH2+][C@@H](C)c1ccc([S@@](C)=O)cc1 ZINC000271793359 655094996 /nfs/dbraw/zinc/09/49/96/655094996.db2.gz JPFKPTRELZLSDC-JPQMIFPKSA-N 1 0 380.491 2.561 20 0 GFADRO COC(=O)c1sccc1NC(=O)C[NH2+][C@H](C)c1ccc([S@@](C)=O)cc1 ZINC000271793361 655095011 /nfs/dbraw/zinc/09/50/11/655095011.db2.gz JPFKPTRELZLSDC-SSINHNECSA-N 1 0 380.491 2.561 20 0 GFADRO COc1c(Cl)cc(NC(=O)N2CC[N@H+](C[C@H](C)O)[C@@H](C)C2)cc1Cl ZINC000271819871 655095521 /nfs/dbraw/zinc/09/55/21/655095521.db2.gz PWNFPTXQYBFIBJ-QWRGUYRKSA-N 1 0 376.284 2.921 20 0 GFADRO C[N@H+](CCC(=O)Nc1ccc(Br)cc1F)[C@@H]1CCCCNC1=O ZINC000105613804 655096074 /nfs/dbraw/zinc/09/60/74/655096074.db2.gz GTUALINPJQQFCK-CQSZACIVSA-N 1 0 386.265 2.517 20 0 GFADRO CC(=O)OC1CC[NH+](Cn2ccc(=O)c3cccc(Br)c32)CC1 ZINC000156836653 655096392 /nfs/dbraw/zinc/09/63/92/655096392.db2.gz IEDFMXDWVKFZRQ-UHFFFAOYSA-N 1 0 379.254 2.749 20 0 GFADRO COCC[N@@H+]1CC[C@H](NC(=O)c2ccc(Br)cc2C(F)(F)F)C1 ZINC000271868502 655097338 /nfs/dbraw/zinc/09/73/38/655097338.db2.gz NHCOYCSIRKLYGE-NSHDSACASA-N 1 0 395.219 2.918 20 0 GFADRO O=S1(=O)CC[C@]2(C1)C[C@H]([NH2+]Cc1ccc(F)cc1C(F)(F)F)CCO2 ZINC000271920409 655098583 /nfs/dbraw/zinc/09/85/83/655098583.db2.gz BWWGHQDXUUHIRY-UKRRQHHQSA-N 1 0 381.391 2.670 20 0 GFADRO Cc1cc(Br)ccc1C[NH2+][C@H]1CCO[C@]2(CCS(=O)(=O)C2)C1 ZINC000271959656 655099561 /nfs/dbraw/zinc/09/95/61/655099561.db2.gz FPSKDYGATYPTJO-JKSUJKDBSA-N 1 0 388.327 2.583 20 0 GFADRO COCCn1cc(C[NH2+][C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)cn1 ZINC000272145300 655103914 /nfs/dbraw/zinc/10/39/14/655103914.db2.gz CAGIEMPOGNDLRU-MRXNPFEDSA-N 1 0 383.279 2.731 20 0 GFADRO FC(F)(F)Cn1cnn(CN2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1=S ZINC000158031040 655104021 /nfs/dbraw/zinc/10/40/21/655104021.db2.gz YBOGQJVZZYNKJW-OCCSQVGLSA-N 1 0 375.464 2.883 20 0 GFADRO Cc1c(C(=O)N2CC[C@@H]([C@@H](C)[NH3+])C2)cnn1-c1ccc(Br)cc1 ZINC000272180502 655105222 /nfs/dbraw/zinc/10/52/22/655105222.db2.gz DCUOCLBYHQEBOK-DGCLKSJQSA-N 1 0 377.286 2.753 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)[C@H]1CSCN1C(=O)CC(C)(C)C)c1cccs1 ZINC000106355197 655106910 /nfs/dbraw/zinc/10/69/10/655106910.db2.gz XXBVUTTYASQJMU-ZIAGYGMSSA-N 1 0 383.583 2.805 20 0 GFADRO C[C@@H]1CN(C[C@H](O)C[N@H+](Cc2cccc(Br)c2)C2CC2)C[C@@H](C)O1 ZINC000106381686 655107517 /nfs/dbraw/zinc/10/75/17/655107517.db2.gz JESVHOCDSIBIOG-CLCXKQKWSA-N 1 0 397.357 2.884 20 0 GFADRO COc1ccc(S(=O)(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)c(Cl)c1Cl ZINC000272374072 655110363 /nfs/dbraw/zinc/11/03/63/655110363.db2.gz GYCGLQDSKRBGCR-QWRGUYRKSA-N 1 0 379.309 2.717 20 0 GFADRO CC[NH+]1CCN([C@H]2CCN(C(=O)CSCc3ccc(Cl)cc3)C2)CC1 ZINC000106799329 655111403 /nfs/dbraw/zinc/11/14/03/655111403.db2.gz DVIIPFGDOXONOU-SFHVURJKSA-N 1 0 381.973 2.812 20 0 GFADRO CC[NH+]1CCN([C@H]2CCN(C(=O)CCc3ccccc3Br)C2)CC1 ZINC000106799660 655111443 /nfs/dbraw/zinc/11/14/43/655111443.db2.gz HTIPPAJOEMIEIQ-KRWDZBQOSA-N 1 0 394.357 2.620 20 0 GFADRO CC(C)[C@@H](C(=O)N[C@@H](C)c1cc2c(cc1Br)OCCO2)[NH+](C)C ZINC000106909121 655114530 /nfs/dbraw/zinc/11/45/30/655114530.db2.gz MNBMUMSTMZEYMU-ZBEGNZNMSA-N 1 0 385.302 2.984 20 0 GFADRO Cc1cccc(C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@H]32)c1I ZINC000272500429 655115034 /nfs/dbraw/zinc/11/50/34/655115034.db2.gz NSYMHDGIIMBIAC-GXTWGEPZSA-N 1 0 384.261 2.766 20 0 GFADRO Cc1c[nH+]ccc1N1CCC(C(=O)Nc2cc(Br)nn2C)CC1 ZINC000839362828 661080968 /nfs/dbraw/zinc/08/09/68/661080968.db2.gz LPFUTRBZGRBSEW-UHFFFAOYSA-N 1 0 378.274 2.741 20 0 GFADRO c1csc([C@H](C[NH2+]C2CCN(c3nccs3)CC2)N2CCOCC2)c1 ZINC000272746163 655120245 /nfs/dbraw/zinc/12/02/45/655120245.db2.gz SAVZCBIGQQFNKN-INIZCTEOSA-N 1 0 378.567 2.837 20 0 GFADRO CC[N@H+](C)CCNC(=O)c1cnn(-c2ncccc2Cl)c1C(F)(F)F ZINC000107358833 655120279 /nfs/dbraw/zinc/12/02/79/655120279.db2.gz XUGPDGHXHZBDME-UHFFFAOYSA-N 1 0 375.782 2.621 20 0 GFADRO O=C(NC1CC[NH+](C2CC2)CC1)c1csc(I)c1 ZINC000107543580 655122318 /nfs/dbraw/zinc/12/23/18/655122318.db2.gz BMHYOBJBGYYELD-UHFFFAOYSA-N 1 0 376.263 2.709 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1csc(I)c1 ZINC000107555319 655122419 /nfs/dbraw/zinc/12/24/19/655122419.db2.gz KFDNWABTEPQMDX-SNVBAGLBSA-N 1 0 378.279 2.957 20 0 GFADRO C[NH+](C)C[C@@H]1CCCCN1C(=O)c1csc(I)c1 ZINC000107592911 655122650 /nfs/dbraw/zinc/12/26/50/655122650.db2.gz IISVPIXRJUIOHF-NSHDSACASA-N 1 0 378.279 2.909 20 0 GFADRO COc1cc([C@H](C)[NH2+]C[C@H]2CCCC[C@@H]2O)ccc1S(=O)(=O)C(F)F ZINC000160566861 655122992 /nfs/dbraw/zinc/12/29/92/655122992.db2.gz QHLGGUNYJAFYMW-YUTCNCBUSA-N 1 0 377.453 2.893 20 0 GFADRO C[C@@H]1CCC[N@H+](CCNC(=O)CCn2c(=S)[nH]nc2-c2cccs2)C1 ZINC000107628357 655123125 /nfs/dbraw/zinc/12/31/25/655123125.db2.gz CORSZZHPEGUINJ-CYBMUJFWSA-N 1 0 379.555 2.907 20 0 GFADRO OC[C@H]([NH2+]C[C@H](O)COCc1ccccc1)c1ccc(Br)cc1 ZINC000273092808 655130061 /nfs/dbraw/zinc/13/00/61/655130061.db2.gz JWQXSNBSYUJCSZ-ROUUACIJSA-N 1 0 380.282 2.650 20 0 GFADRO C[C@H](CNC(=O)c1sccc1S(=O)(=O)C(F)F)C[NH+]1CCCCC1 ZINC000108260393 655130242 /nfs/dbraw/zinc/13/02/42/655130242.db2.gz HBFQAMOVDUEUJL-LLVKDONJSA-N 1 0 380.482 2.596 20 0 GFADRO C[NH+](C)CCNC(=O)c1cnn(-c2ncccc2Cl)c1C(F)(F)Cl ZINC000108462691 655133133 /nfs/dbraw/zinc/13/31/33/655133133.db2.gz VSFHWWXUZJCEHM-UHFFFAOYSA-N 1 0 378.210 2.500 20 0 GFADRO COc1ccc(CNC(=O)N[C@H]2CC[N@H+](CC3CC3)C2)cc1Br ZINC000108570943 655134874 /nfs/dbraw/zinc/13/48/74/655134874.db2.gz HMVRHVVRPOYQGU-AWEZNQCLSA-N 1 0 382.302 2.741 20 0 GFADRO COc1cc([C@@H](C)[NH2+]C[C@@H](C2CC2)N(C)C)ccc1S(=O)(=O)C(F)F ZINC000166277724 655141559 /nfs/dbraw/zinc/14/15/59/655141559.db2.gz VKMKZYUONBKFRY-RISCZKNCSA-N 1 0 376.469 2.682 20 0 GFADRO CS[C@@H]1CN(C(=O)CSCC(=O)c2ccccc2)C[C@H]1[NH+]1CCCC1 ZINC000273503080 655145790 /nfs/dbraw/zinc/14/57/90/655145790.db2.gz MLIDFJYTVVAWJF-SJLPKXTDSA-N 1 0 378.563 2.641 20 0 GFADRO O=C(Nc1ccc(SC(F)(F)F)nc1)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000839173776 661074340 /nfs/dbraw/zinc/07/43/40/661074340.db2.gz JXHHZALTCQAADI-GFCCVEGCSA-N 1 0 378.420 2.662 20 0 GFADRO C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCN2C(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000110653623 655158308 /nfs/dbraw/zinc/15/83/08/655158308.db2.gz OOCMFCOFFVZTIK-LRDDRELGSA-N 1 0 384.307 2.666 20 0 GFADRO CC(C)(O)C[NH+]1CCN(Cn2nc(NC3CCCCC3)sc2=S)CC1 ZINC000172910508 655160539 /nfs/dbraw/zinc/16/05/39/655160539.db2.gz HMGWRVKOGDDESD-UHFFFAOYSA-N 1 0 385.603 2.765 20 0 GFADRO C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)N(C)CCCN1CC[NH+](C)CC1 ZINC000110866444 655160785 /nfs/dbraw/zinc/16/07/85/655160785.db2.gz ZJKGBBLVRJARAB-AWEZNQCLSA-N 1 0 388.339 2.857 20 0 GFADRO C[C@@H]1C[C@H](N(C)C(=O)Nc2ccncc2I)CC[N@@H+]1C ZINC000273865268 655161502 /nfs/dbraw/zinc/16/15/02/655161502.db2.gz OSJWGFWATABIKB-GHMZBOCLSA-N 1 0 388.253 2.633 20 0 GFADRO C[C@H]([NH2+]C[C@H]1COC2(CCOCC2)O1)c1cc(Br)ncc1F ZINC000273880206 655162244 /nfs/dbraw/zinc/16/22/44/655162244.db2.gz QUVAOQNQWAWAJT-QWRGUYRKSA-N 1 0 375.238 2.556 20 0 GFADRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)CSc1nnc(-c2cccs2)n1C ZINC000110997874 655163283 /nfs/dbraw/zinc/16/32/83/655163283.db2.gz VRUXPJUZVVKLQE-CYBMUJFWSA-N 1 0 379.555 2.626 20 0 GFADRO CC(=O)Nc1cc(F)c(S(=O)(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1Cl ZINC000173274444 655166545 /nfs/dbraw/zinc/16/65/45/655166545.db2.gz LCQIYQOPCWSLMM-CMPLNLGQSA-N 1 0 391.896 2.541 20 0 GFADRO CN1CC[NH+](CC2CCN(C(=O)c3ccc(F)c(Br)c3)CC2)CC1 ZINC000173278358 655166854 /nfs/dbraw/zinc/16/68/54/655166854.db2.gz WZPUMULKUPEQDB-UHFFFAOYSA-N 1 0 398.320 2.688 20 0 GFADRO Cc1c(Br)cccc1C(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000173278296 655166910 /nfs/dbraw/zinc/16/69/10/655166910.db2.gz AGSOCMBQORTQQI-UHFFFAOYSA-N 1 0 394.357 2.857 20 0 GFADRO COc1ccc(Cl)cc1NC(=O)CN1C[C@@H](SC)[C@@H]([NH+]2CCCC2)C1 ZINC000273998553 655168154 /nfs/dbraw/zinc/16/81/54/655168154.db2.gz JMTSRJLDMHJGOF-DOTOQJQBSA-N 1 0 383.945 2.799 20 0 GFADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)c2ccc(F)c(Br)c2)CC1 ZINC000173404299 655170131 /nfs/dbraw/zinc/17/01/31/655170131.db2.gz SDJKJCLRVQXJGA-ZDUSSCGKSA-N 1 0 386.309 2.592 20 0 GFADRO O=C(Nc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)c1csc(Cl)n1 ZINC000839282639 661077957 /nfs/dbraw/zinc/07/79/57/661077957.db2.gz YFJSYDNXRXTLBS-UHFFFAOYSA-N 1 0 378.885 2.874 20 0 GFADRO CC[NH+](CC)C[C@@H]1CCN(CN2c3ccc(Br)cc3C(=O)C2=O)C1 ZINC000173428358 655171700 /nfs/dbraw/zinc/17/17/00/655171700.db2.gz PRZHTQCPRCGGGN-ZDUSSCGKSA-N 1 0 394.313 2.600 20 0 GFADRO Cc1cc(Br)cn2cc(CNC(=O)N3CCC[C@H]([NH+](C)C)C3)nc12 ZINC000274129084 655174522 /nfs/dbraw/zinc/17/45/22/655174522.db2.gz CDZHWAUPBUHIBI-HNNXBMFYSA-N 1 0 394.317 2.641 20 0 GFADRO CCN(CCNS(=O)(=O)c1cnn(C)c1)Cc1ccc(Cl)c(Cl)c1 ZINC000173555263 655174879 /nfs/dbraw/zinc/17/48/79/655174879.db2.gz YTQMUDZQYHIDAU-UHFFFAOYSA-N 1 0 391.324 2.527 20 0 GFADRO CN(C(=O)c1cnn(C)c1Br)C1CC[NH+](Cc2ccccc2)CC1 ZINC000274137747 655175038 /nfs/dbraw/zinc/17/50/38/655175038.db2.gz GLMDJOTWUBJJFK-UHFFFAOYSA-N 1 0 391.313 2.919 20 0 GFADRO Brc1c(-c2nc([C@@H]3C[N@@H+]4CCC[C@H]4CO3)no2)n[nH]c1C1CC1 ZINC000274147634 655175561 /nfs/dbraw/zinc/17/55/61/655175561.db2.gz YOFRLNUXSAAGHS-UWVGGRQHSA-N 1 0 380.246 2.635 20 0 GFADRO Cc1ccc(-n2nc(Br)cc2C(=O)N2CC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000274178349 655177562 /nfs/dbraw/zinc/17/75/62/655177562.db2.gz OCVUJGDPEFRRNG-SFHVURJKSA-N 1 0 389.297 2.769 20 0 GFADRO Fc1ccc(-n2cc(C[NH2+]CCc3cn4c(n3)SCC4)nn2)c(Cl)c1 ZINC000274232142 655180908 /nfs/dbraw/zinc/18/09/08/655180908.db2.gz FGFMLNXPMLPQDE-UHFFFAOYSA-N 1 0 378.864 2.694 20 0 GFADRO COc1cc(C(=O)Nc2ccc(N3CC[NH2+]CC3)cn2)sc1Br ZINC000274442922 655188900 /nfs/dbraw/zinc/18/89/00/655188900.db2.gz QOOJXCAQKGBVHX-UHFFFAOYSA-N 1 0 397.298 2.576 20 0 GFADRO COc1c(Br)cccc1CNC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000274734969 655199245 /nfs/dbraw/zinc/19/92/45/655199245.db2.gz BNDYBSMLVMUECE-IAGOWNOFSA-N 1 0 383.330 2.925 20 0 GFADRO CC[NH+]1CCN(CCNC(=O)c2cnc(-c3ccccc3Cl)s2)CC1 ZINC000112918049 655199757 /nfs/dbraw/zinc/19/97/57/655199757.db2.gz FQSIOMDYTGRBFY-UHFFFAOYSA-N 1 0 378.929 2.831 20 0 GFADRO CC[NH+]1CCN([C@H](C)CNC(=O)c2cc3cc(Br)ccc3o2)CC1 ZINC000112917679 655199809 /nfs/dbraw/zinc/19/98/09/655199809.db2.gz HPCZAJMZAOQGOI-CYBMUJFWSA-N 1 0 394.313 2.951 20 0 GFADRO O=C(Nc1cccc(I)c1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000174425960 655202328 /nfs/dbraw/zinc/20/23/28/655202328.db2.gz YHCMJRIBPMCRPM-AWEZNQCLSA-N 1 0 383.233 2.769 20 0 GFADRO CN(C)c1ncc(Br)cc1C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000113168794 655204285 /nfs/dbraw/zinc/20/42/85/655204285.db2.gz MRYGRYUWQVWJAK-UHFFFAOYSA-N 1 0 381.318 2.611 20 0 GFADRO COc1cc(Br)ccc1CCC[N@@H+]1CCc2n[nH]c(=O)cc2C1 ZINC000274870814 655205220 /nfs/dbraw/zinc/20/52/20/655205220.db2.gz KVEXWTSIPHREAC-UHFFFAOYSA-N 1 0 378.270 2.532 20 0 GFADRO C[NH+]1CCC(C(=O)NCC2(c3cccc(Br)c3)CCOCC2)CC1 ZINC000174709622 655205994 /nfs/dbraw/zinc/20/59/94/655205994.db2.gz KCULPYMZKIOJLQ-UHFFFAOYSA-N 1 0 395.341 2.955 20 0 GFADRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)c2nc(Br)sc2C)C1 ZINC000839695150 661100360 /nfs/dbraw/zinc/10/03/60/661100360.db2.gz ACFJBMBCZCLXAE-GFCCVEGCSA-N 1 0 390.347 2.787 20 0 GFADRO CS[C@@H]1CN(C(=O)c2[nH]nc(C3CC3)c2Br)C[C@H]1[NH+]1CCCC1 ZINC000275081991 655215691 /nfs/dbraw/zinc/21/56/91/655215691.db2.gz FPKPKMRPZSANMJ-VXGBXAGGSA-N 1 0 399.358 2.701 20 0 GFADRO C[NH+](C)CCN(C(=O)C(=O)Nc1cc(Cl)c(N)c(Cl)c1)C1CCCC1 ZINC000839519919 661089843 /nfs/dbraw/zinc/08/98/43/661089843.db2.gz JSSSQFFWBQLURI-UHFFFAOYSA-N 1 0 387.311 2.847 20 0 GFADRO O=C(NCCc1ccc(Cl)cc1Cl)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000175524288 655222570 /nfs/dbraw/zinc/22/25/70/655222570.db2.gz MBHWPVVJOBOOSJ-AWEZNQCLSA-N 1 0 386.323 2.900 20 0 GFADRO Nc1c(Cl)cc(NC(=O)C(=O)NC2CC([NH+]3CCCCC3)C2)cc1Cl ZINC000839545171 661090885 /nfs/dbraw/zinc/09/08/85/661090885.db2.gz GVGLNNSDMHGHFT-UHFFFAOYSA-N 1 0 385.295 2.647 20 0 GFADRO CCS[C@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1ccccc1SCC(N)=O ZINC000275326825 655229695 /nfs/dbraw/zinc/22/96/95/655229695.db2.gz UYXJUZIVHZUSKV-ZFWWWQNUSA-N 1 0 381.567 2.856 20 0 GFADRO Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1[NH2+]C[C@H](O)c1ccccc1Br ZINC000275369905 655232367 /nfs/dbraw/zinc/23/23/67/655232367.db2.gz XSWVAGUFRFCBGL-BQFCYCMXSA-N 1 0 394.313 2.953 20 0 GFADRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)c1cc(I)c[nH]1 ZINC000115385588 655236670 /nfs/dbraw/zinc/23/66/70/655236670.db2.gz MEHBGZJJFFSPMR-GFCCVEGCSA-N 1 0 375.254 2.614 20 0 GFADRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)c1cc(=O)c2cc(Br)ccc2[nH]1 ZINC000115433810 655237361 /nfs/dbraw/zinc/23/73/61/655237361.db2.gz YZRCYHUXUMQDQW-GFCCVEGCSA-N 1 0 392.297 2.704 20 0 GFADRO CSc1nnc(CNC(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)s1 ZINC000275508546 655239379 /nfs/dbraw/zinc/23/93/79/655239379.db2.gz SFPLNPZKLQNEFN-CQSZACIVSA-N 1 0 377.539 2.724 20 0 GFADRO CCOCCC[N@@H+]1CC[C@@H](NS(=O)(=O)c2cc(F)ccc2Cl)[C@H](C)C1 ZINC000115592230 655240150 /nfs/dbraw/zinc/24/01/50/655240150.db2.gz AMFGKBYDTZIJGO-CZUORRHYSA-N 1 0 392.924 2.894 20 0 GFADRO O=C(NC[C@H]1CSCCS1)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000176427830 655245357 /nfs/dbraw/zinc/24/53/57/655245357.db2.gz DCQAHQZSNUDERS-KRWDZBQOSA-N 1 0 383.558 2.938 20 0 GFADRO COCCOC1CC[NH+](C[C@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000116884505 655255461 /nfs/dbraw/zinc/25/54/61/655255461.db2.gz QBZSLKLLZCOMFL-AWEZNQCLSA-N 1 0 378.296 2.861 20 0 GFADRO COCCOC1CC[NH+](C[C@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000116885496 655255472 /nfs/dbraw/zinc/25/54/72/655255472.db2.gz RRDLBVBYYXSLQK-ZDUSSCGKSA-N 1 0 378.296 2.861 20 0 GFADRO C[NH+](C)CCCOC1CCN(S(=O)(=O)c2ccc(Cl)nc2Cl)CC1 ZINC000176799483 655256959 /nfs/dbraw/zinc/25/69/59/655256959.db2.gz LVMWHGWRGFONAD-UHFFFAOYSA-N 1 0 396.340 2.510 20 0 GFADRO CC[C@@H](Cc1cccc(Br)c1)C(=O)N[C@H](C)CN1CC[NH+](C)CC1 ZINC000117255014 655262488 /nfs/dbraw/zinc/26/24/88/655262488.db2.gz GMWXWSYUUCCKAH-WBVHZDCISA-N 1 0 396.373 2.770 20 0 GFADRO CCOCC[N@@H+]1CCN(C(=O)Nc2ccncc2Br)C[C@H]1CC ZINC000276115829 655262994 /nfs/dbraw/zinc/26/29/94/655262994.db2.gz MKOSDJXAHYMQNA-CYBMUJFWSA-N 1 0 385.306 2.809 20 0 GFADRO C[C@@H](NS(=O)(=O)c1cc(Br)cnc1Cl)C(C)(C)C[NH+](C)C ZINC000177002201 655264652 /nfs/dbraw/zinc/26/46/52/655264652.db2.gz NSJOFYRMZVZAMW-SECBINFHSA-N 1 0 398.754 2.752 20 0 GFADRO C[NH+](C)C[C@H]1CCN(C(=O)c2nn(-c3ccc(F)cc3)cc2Br)C1 ZINC000117805269 655268126 /nfs/dbraw/zinc/26/81/26/655268126.db2.gz WQVSGSNJSZNYAI-GFCCVEGCSA-N 1 0 395.276 2.798 20 0 GFADRO COCCOCCOCC[N@H+](C)Cc1cc(Br)c(OC)s1 ZINC000276251490 655269075 /nfs/dbraw/zinc/26/90/75/655269075.db2.gz VMWRVUSVEZOUON-UHFFFAOYSA-N 1 0 382.320 2.631 20 0 GFADRO NC(=O)C1([NH2+]CC(=O)Nc2ccc(Br)cc2Cl)CCCCC1 ZINC000177125537 655269516 /nfs/dbraw/zinc/26/95/16/655269516.db2.gz ZBNUBXDMEJCAQU-UHFFFAOYSA-N 1 0 388.693 2.819 20 0 GFADRO C[C@H](Oc1cccc(Cl)c1Cl)C(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000177144744 655270027 /nfs/dbraw/zinc/27/00/27/655270027.db2.gz DODPOFGTXJLDAD-ZDUSSCGKSA-N 1 0 388.339 2.903 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1c(C)cc(Br)cc1C ZINC000118096851 655271560 /nfs/dbraw/zinc/27/15/60/655271560.db2.gz KLUQFEOSYDWKTC-AWEZNQCLSA-N 1 0 382.302 2.605 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)C(=O)Nc1ccc(Cl)cc1C(F)(F)F)C1CC1 ZINC000118101985 655271896 /nfs/dbraw/zinc/27/18/96/655271896.db2.gz HXNDWFMZMFVRTF-CYBMUJFWSA-N 1 0 377.794 2.754 20 0 GFADRO CN(Cc1cccc(Br)c1OCC(C)(C)O)C(=O)[C@H]1CCC[N@@H+]1C ZINC000276396549 655274023 /nfs/dbraw/zinc/27/40/23/655274023.db2.gz SOPCHQBFPUGJKT-OAHLLOKOSA-N 1 0 399.329 2.651 20 0 GFADRO O=C(NC1CC[NH+](Cc2ccncc2)CC1)c1ccnc(Br)c1 ZINC000177403966 655275420 /nfs/dbraw/zinc/27/54/20/655275420.db2.gz IIDSGIUVOPKJAJ-UHFFFAOYSA-N 1 0 375.270 2.634 20 0 GFADRO O=C(NCCC[NH+]1CCCC1)c1cc(F)c(F)cc1I ZINC000177751576 655287513 /nfs/dbraw/zinc/28/75/13/655287513.db2.gz FIVAHCVVNOBTER-UHFFFAOYSA-N 1 0 394.203 2.785 20 0 GFADRO O[C@@H](COc1cc(Cl)ccc1Cl)C[N@@H+]1CCC[C@H](Cn2ccnn2)C1 ZINC000119047915 655288033 /nfs/dbraw/zinc/28/80/33/655288033.db2.gz TXBRUASNIWTBRP-DZGCQCFKSA-N 1 0 385.295 2.737 20 0 GFADRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cc(Br)c3c(c2)OCCO3)C1 ZINC000119059478 655288340 /nfs/dbraw/zinc/28/83/40/655288340.db2.gz GGFJPYKZZPFBPJ-IUODEOHRSA-N 1 0 395.297 2.777 20 0 GFADRO C[C@H](C[NH2+][C@@]1(CNC(=O)OC(C)(C)C)CCCC[C@@H]1C)CS(C)(=O)=O ZINC000119076352 655289105 /nfs/dbraw/zinc/28/91/05/655289105.db2.gz RPUBAIYNQDKAMY-RVKKMQEKSA-N 1 0 376.563 2.730 20 0 GFADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc(Br)c2c(c1)OCCO2 ZINC000177806981 655289103 /nfs/dbraw/zinc/28/91/03/655289103.db2.gz KDPYBRRYIGWJHJ-KGLIPLIRSA-N 1 0 395.297 2.919 20 0 GFADRO O=C(NCC1([NH+]2CCSCC2)CCCC1)c1nc(Br)cs1 ZINC000119230812 655294085 /nfs/dbraw/zinc/29/40/85/655294085.db2.gz CJLJLXMVWQBWMB-UHFFFAOYSA-N 1 0 390.372 2.997 20 0 GFADRO O=C(c1ccncc1I)N1CCC(C[NH+]2CCCC2)CC1 ZINC000119243346 655294787 /nfs/dbraw/zinc/29/47/87/655294787.db2.gz JAWZLKWBUYWCGF-UHFFFAOYSA-N 1 0 399.276 2.634 20 0 GFADRO C[C@H](Cc1ccccc1Br)NC(=O)NCCCC[NH+]1CCOCC1 ZINC000119244422 655294915 /nfs/dbraw/zinc/29/49/15/655294915.db2.gz XHIHBJFESYWEPP-OAHLLOKOSA-N 1 0 398.345 2.792 20 0 GFADRO Cc1cccc(C(=O)N2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)c1Br ZINC000119264090 655295790 /nfs/dbraw/zinc/29/57/90/655295790.db2.gz RZIWRPQHSLEFIX-INIZCTEOSA-N 1 0 394.357 3.000 20 0 GFADRO CN(C)C(=O)CN1CCC([NH2+]Cc2cc(Br)c(Cl)s2)CC1 ZINC000276972925 655295978 /nfs/dbraw/zinc/29/59/78/655295978.db2.gz QEBPHIYNAGGPMQ-UHFFFAOYSA-N 1 0 394.766 2.806 20 0 GFADRO Cc1cccc(S(=O)(=O)N2CCC[C@H]([NH+](C)C)CC2)c1Br ZINC000276995582 655297323 /nfs/dbraw/zinc/29/73/23/655297323.db2.gz JAVBERSBWJTLKE-ZDUSSCGKSA-N 1 0 375.332 2.862 20 0 GFADRO CC[C@H]([NH2+]CCc1ccc(S(=O)(=O)N(CC)CC)s1)c1cnn(C)c1 ZINC000119356192 655300448 /nfs/dbraw/zinc/30/04/48/655300448.db2.gz IFAOJOUEVPIDKP-INIZCTEOSA-N 1 0 384.571 2.796 20 0 GFADRO C[C@H]([NH2+]CC1CCN(S(C)(=O)=O)CC1)c1ccc(F)c(Br)c1 ZINC000178261784 655300683 /nfs/dbraw/zinc/30/06/83/655300683.db2.gz JWWJLXDBUIBVIH-NSHDSACASA-N 1 0 393.322 2.910 20 0 GFADRO Cc1ccc(NC(=O)N2CC[NH+](CC3CCOCC3)CC2)c(Br)n1 ZINC000178381721 655301973 /nfs/dbraw/zinc/30/19/73/655301973.db2.gz GDJXKUFWJVPVBC-UHFFFAOYSA-N 1 0 397.317 2.729 20 0 GFADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)c1c(Cl)cc(F)cc1Cl ZINC000277184044 655306888 /nfs/dbraw/zinc/30/68/88/655306888.db2.gz FARDNVYOSZFXHR-AWEZNQCLSA-N 1 0 390.286 2.805 20 0 GFADRO C[C@H]1C[N@H+](CCCNC(=O)c2cc(Br)cnc2Cl)CCCO1 ZINC000277324122 655312855 /nfs/dbraw/zinc/31/28/55/655312855.db2.gz AEJGXXACYPOTOD-NSHDSACASA-N 1 0 390.709 2.728 20 0 GFADRO C[C@@H](CNS(=O)(=O)Cc1ccc(Br)cc1)C[NH+]1CCCC1 ZINC000119777697 655314745 /nfs/dbraw/zinc/31/47/45/655314745.db2.gz NQAMSPPAKXQMFL-ZDUSSCGKSA-N 1 0 375.332 2.600 20 0 GFADRO C[NH+](C)[C@H]1CCCN(CCS(=O)(=O)c2cccc(Br)c2)CC1 ZINC000277363124 655314930 /nfs/dbraw/zinc/31/49/30/655314930.db2.gz XEWRWYGFJAQUSE-HNNXBMFYSA-N 1 0 389.359 2.639 20 0 GFADRO CS(=O)(=O)c1csc(C(=O)NCC2CC[NH+](Cc3cccs3)CC2)c1 ZINC000119814944 655316528 /nfs/dbraw/zinc/31/65/28/655316528.db2.gz WJUVUMOTDYKYPE-UHFFFAOYSA-N 1 0 398.575 2.855 20 0 GFADRO Cc1c(Br)cc(C(=O)N(CC[NH+](C)C)c2ccccc2)c(=O)n1C ZINC000277407626 655317768 /nfs/dbraw/zinc/31/77/68/655317768.db2.gz KDZQWKKHOTYQQU-UHFFFAOYSA-N 1 0 392.297 2.665 20 0 GFADRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N[C@H](C)C(C)(C)C[NH+](C)C)c1 ZINC000180120144 655322306 /nfs/dbraw/zinc/32/23/06/655322306.db2.gz LYTJMXBQYUUMFA-LLVKDONJSA-N 1 0 377.894 2.811 20 0 GFADRO O=S(=O)(c1c(F)c(F)c(F)c(F)c1F)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000180215966 655324120 /nfs/dbraw/zinc/32/41/20/655324120.db2.gz WJOBYQPJWATOHX-VIFPVBQESA-N 1 0 384.370 2.631 20 0 GFADRO C[C@H](NC(=O)Cc1cc2c(cc1Br)OCCO2)C(C)(C)C[NH+](C)C ZINC000120026747 655325007 /nfs/dbraw/zinc/32/50/07/655325007.db2.gz QBUFCAPGMKKNOF-LBPRGKRZSA-N 1 0 399.329 2.855 20 0 GFADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)c1ccc(Br)c(F)c1 ZINC000278899909 655326588 /nfs/dbraw/zinc/32/65/88/655326588.db2.gz RNPLBAMRNVZIMI-LBPRGKRZSA-N 1 0 385.277 2.914 20 0 GFADRO COC(=O)Cc1csc(NC(=O)C[NH2+][C@H](C)c2ccc(SC)cc2)n1 ZINC000281540254 655334702 /nfs/dbraw/zinc/33/47/02/655334702.db2.gz WTSVNMAXGSMJQR-LLVKDONJSA-N 1 0 379.507 2.870 20 0 GFADRO COC(=O)c1cc(C[NH2+]C(C)(C)COc2ncccc2Br)c[nH]1 ZINC000120459619 655336376 /nfs/dbraw/zinc/33/63/76/655336376.db2.gz IEEUUKPYVQONSX-UHFFFAOYSA-N 1 0 382.258 2.906 20 0 GFADRO CCC1(CC)[C@H]([NH2+]CC2CCN(S(=O)(=O)C(F)(F)F)CC2)C[C@H]1OC ZINC000181741624 655340051 /nfs/dbraw/zinc/34/00/51/655340051.db2.gz WVZVLYXFHNARPS-ZIAGYGMSSA-N 1 0 386.480 2.731 20 0 GFADRO Cc1ccc(-n2nc(Br)cc2C(=O)N(C)CCC[NH+](C)C)cc1 ZINC000181964757 655341861 /nfs/dbraw/zinc/34/18/61/655341861.db2.gz IHHMXNIZWAYONU-UHFFFAOYSA-N 1 0 379.302 2.967 20 0 GFADRO CC[NH+](CC)CCCC1CCN(S(=O)(=O)c2c(C)nn(C)c2Cl)CC1 ZINC000182381385 655343816 /nfs/dbraw/zinc/34/38/16/655343816.db2.gz VUEXNFGJUHBECN-UHFFFAOYSA-N 1 0 390.981 2.905 20 0 GFADRO C[C@@H](O)c1ncc(C[NH2+]C[C@H](O)COc2cccc(C(F)(F)F)c2)s1 ZINC000289274469 655345258 /nfs/dbraw/zinc/34/52/58/655345258.db2.gz NVVIGUBSTJTESX-PWSUYJOCSA-N 1 0 376.400 2.745 20 0 GFADRO C[C@@H]1C[NH+](CCCNC(=O)c2cc(Cl)ncc2Br)C[C@@H](C)O1 ZINC000289337603 655346898 /nfs/dbraw/zinc/34/68/98/655346898.db2.gz FKQIMUQOIXQDPJ-GHMZBOCLSA-N 1 0 390.709 2.727 20 0 GFADRO CC(C)[C@](C)([NH2+]CC(=O)Nc1ccc(Br)cc1Cl)C(N)=O ZINC000289407503 655348451 /nfs/dbraw/zinc/34/84/51/655348451.db2.gz SOWXNULBZRDIKN-AWEZNQCLSA-N 1 0 376.682 2.531 20 0 GFADRO CCS(=O)(=O)C[C@H](C)[NH2+][C@H](CNC(=O)OC(C)(C)C)C1CCCCC1 ZINC000182951225 655348452 /nfs/dbraw/zinc/34/84/52/655348452.db2.gz SOMRSUAQUBNLBK-GOEBONIOSA-N 1 0 376.563 2.873 20 0 GFADRO C[NH2+]CCCNC(=O)c1c(C)nn(Cc2cccc(Br)c2)c1C ZINC000121320722 655349137 /nfs/dbraw/zinc/34/91/37/655349137.db2.gz VFAZJSNYTWUQMC-UHFFFAOYSA-N 1 0 379.302 2.650 20 0 GFADRO C[C@H]1C[C@@H](C(=O)NCc2nc(-c3cccc(Br)c3)no2)CC[N@@H+]1C ZINC000290881015 655349854 /nfs/dbraw/zinc/34/98/54/655349854.db2.gz MBVKZMRYSUQHJQ-AAEUAGOBSA-N 1 0 393.285 2.846 20 0 GFADRO COC[C@@H]1CC[N@H+](CN2C(=O)C[C@@](C)(c3ccc(Cl)c(Cl)c3)C2=O)C1 ZINC000840008211 661124211 /nfs/dbraw/zinc/12/42/11/661124211.db2.gz SJDAOGKIDROICA-XIKOKIGWSA-N 1 0 385.291 2.936 20 0 GFADRO Cc1nc2sccn2c(=O)c1CC[NH2+][C@@H](C)[C@H]1OCCc2sccc21 ZINC000292524057 655351962 /nfs/dbraw/zinc/35/19/62/655351962.db2.gz WLQCNNCTXLZEPW-BLLLJJGKSA-N 1 0 375.519 2.961 20 0 GFADRO C[C@@H](CNC(=O)N[C@@H]1CCCc2sc(Cl)cc21)C[NH+]1CCN(C)CC1 ZINC000292911648 655356765 /nfs/dbraw/zinc/35/67/65/655356765.db2.gz HIPGWLCXXNKWHN-DZGCQCFKSA-N 1 0 384.977 2.962 20 0 GFADRO Cc1[nH]c(=O)c(Br)cc1C(=O)N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC000293628496 655360333 /nfs/dbraw/zinc/36/03/33/655360333.db2.gz GFRGLRBYNJRHCD-LLVKDONJSA-N 1 0 382.302 2.805 20 0 GFADRO CC[NH+]1CCN([C@@H](C)C[NH2+][C@H](C)c2cc(Br)cc(F)c2[O-])CC1 ZINC000185022173 655361900 /nfs/dbraw/zinc/36/19/00/655361900.db2.gz QQHBOTSXFKEBEA-QWHCGFSZSA-N 1 0 388.325 2.970 20 0 GFADRO CCOc1c(Br)cc(C[NH2+][C@H]2CCS(=O)(=O)[C@H]2C)cc1OC ZINC000293791453 655362171 /nfs/dbraw/zinc/36/21/71/655362171.db2.gz COBAZEPQXCDGGL-GWCFXTLKSA-N 1 0 392.315 2.522 20 0 GFADRO Cc1ccc(S(=O)(=O)NCC[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)s1 ZINC000185307996 655363536 /nfs/dbraw/zinc/36/35/36/655363536.db2.gz AVTJNRPOKCWQPE-UHFFFAOYSA-N 1 0 389.886 2.686 20 0 GFADRO C[NH+](C)CCn1nccc1NC(=O)Cc1c[nH]c2cccc(Br)c12 ZINC000294094812 655365047 /nfs/dbraw/zinc/36/50/47/655365047.db2.gz OBKINUHMVNUBLX-UHFFFAOYSA-N 1 0 390.285 2.870 20 0 GFADRO C[C@H]1C[C@@H](N(C)C(=O)C(=O)N(C)Cc2c(Cl)cccc2Cl)CC[N@@H+]1C ZINC000298127220 655372591 /nfs/dbraw/zinc/37/25/91/655372591.db2.gz XBHSKRUZWUXVOH-STQMWFEESA-N 1 0 386.323 2.893 20 0 GFADRO Cc1ccc(I)c(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)c1 ZINC000299626531 655377531 /nfs/dbraw/zinc/37/75/31/655377531.db2.gz FVDPUQIFWSLVGD-CABCVRRESA-N 1 0 384.261 2.956 20 0 GFADRO CCN(CCC[NH2+]Cc1c(Br)cnn1C)C(=O)OC(C)(C)C ZINC000309864584 655379065 /nfs/dbraw/zinc/37/90/65/655379065.db2.gz OUORUHDBHLXKNX-UHFFFAOYSA-N 1 0 375.311 2.919 20 0 GFADRO CC(C)[C@@H](C[NH2+]Cc1c(Br)cnn1C)NC(=O)OC(C)(C)C ZINC000309943678 655379053 /nfs/dbraw/zinc/37/90/53/655379053.db2.gz CBXUBVSAKIFHGQ-GFCCVEGCSA-N 1 0 375.311 2.822 20 0 GFADRO Brc1ccc(-c2nc(N3CC[NH2+]CC3)no2)c(Br)c1 ZINC000311395584 655379398 /nfs/dbraw/zinc/37/93/98/655379398.db2.gz OTNNYYKVFNXJOA-UHFFFAOYSA-N 1 0 388.063 2.671 20 0 GFADRO O=C(NC1(c2cccc(Br)c2)CCC1)c1[nH]nc2c1C[NH2+]CC2 ZINC000188420786 655379826 /nfs/dbraw/zinc/37/98/26/655379826.db2.gz KXHUVDMPZJMTTM-UHFFFAOYSA-N 1 0 375.270 2.627 20 0 GFADRO CC(=O)N(c1nn(CN2CC[C@]3(C2)CCC[N@@H+](C)C3)c(=S)s1)C1CC1 ZINC000840087794 661131015 /nfs/dbraw/zinc/13/10/15/661131015.db2.gz VNZMEVSJNVNYEE-QGZVFWFLSA-N 1 0 381.571 2.565 20 0 GFADRO FC(F)(F)c1nn(CN2CCC[C@H](C[NH+]3CCOCC3)C2)c(=S)s1 ZINC000188669770 655381395 /nfs/dbraw/zinc/38/13/95/655381395.db2.gz BPWNHFHCZGWNDS-LLVKDONJSA-N 1 0 382.477 2.695 20 0 GFADRO CC(C)(CNC(=O)c1[nH]nc2c1C[NH2+]CC2)c1ccccc1Br ZINC000188966660 655383423 /nfs/dbraw/zinc/38/34/23/655383423.db2.gz MIZGTAOJLPNTLD-UHFFFAOYSA-N 1 0 377.286 2.526 20 0 GFADRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C[NH+](C)C)CC1 ZINC000325198530 655384538 /nfs/dbraw/zinc/38/45/38/655384538.db2.gz IRLIVOMZHIICBD-UHFFFAOYSA-N 1 0 375.878 2.519 20 0 GFADRO C[C@@H]1CCC[C@@](CNC(=O)c2cc([N+](=O)[O-])ncc2Br)([NH+](C)C)C1 ZINC000326424591 655385010 /nfs/dbraw/zinc/38/50/10/655385010.db2.gz RWQZYHFXPNZHPF-BDJLRTHQSA-N 1 0 399.289 2.993 20 0 GFADRO O=C(c1cc(-c2ccc(Br)cc2)n[nH]1)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000333816023 655388117 /nfs/dbraw/zinc/38/81/17/655388117.db2.gz KCUUEWUCQVJZPQ-QGZVFWFLSA-N 1 0 375.270 2.807 20 0 GFADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)Oc1cccc(Cl)c1F ZINC000189830872 655388617 /nfs/dbraw/zinc/38/86/17/655388617.db2.gz YUUQKFYZMHIJKD-UHFFFAOYSA-N 1 0 375.853 2.622 20 0 GFADRO COc1ccc2c(c1)[C@H]([NH3+])CCN2C(=O)c1c[nH]c(=O)c(Br)c1 ZINC000365484535 655394342 /nfs/dbraw/zinc/39/43/42/655394342.db2.gz OXCGRQCSAVQYMH-CYBMUJFWSA-N 1 0 378.226 2.609 20 0 GFADRO COc1cc(CNc2ccn(C3CC[NH+](C)CC3)n2)c(Br)cc1O ZINC000365955408 655397038 /nfs/dbraw/zinc/39/70/38/655397038.db2.gz NMTDDHPVSMKRPY-UHFFFAOYSA-N 1 0 395.301 3.239 20 0 GFADRO O=C(CSc1nc2ccccc2s1)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000366192271 655399554 /nfs/dbraw/zinc/39/95/54/655399554.db2.gz NEPRZCXPEXKWQJ-CQSZACIVSA-N 1 0 377.535 2.758 20 0 GFADRO C[C@@H]([NH2+]C[C@@H](O)COCC(F)(F)F)c1nnc(-c2cccc(F)c2)s1 ZINC000366596528 655400364 /nfs/dbraw/zinc/40/03/64/655400364.db2.gz KRCLHLJYUKIIPH-BXKDBHETSA-N 1 0 379.379 2.935 20 0 GFADRO CCN1CC[C@H]([NH2+]C[C@@H](C)CS(C)(=O)=O)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000374767227 655402118 /nfs/dbraw/zinc/40/21/18/655402118.db2.gz NRQLLZAWQUBJLW-XQAQDONZSA-N 1 0 378.460 2.510 20 0 GFADRO CC[NH+]1CCN(c2ccccc2NC(=O)c2cc(Br)nn2C)CC1 ZINC000192082868 655402424 /nfs/dbraw/zinc/40/24/24/655402424.db2.gz QGYHWCJUGYFBGA-UHFFFAOYSA-N 1 0 392.301 2.577 20 0 GFADRO COC(=O)CC[N@H+](CC[C@@H]1CCOC1=O)Cc1cccc(Br)c1 ZINC000192330842 655404648 /nfs/dbraw/zinc/40/46/48/655404648.db2.gz RKMXYPFTKHIFII-CQSZACIVSA-N 1 0 384.270 2.767 20 0 GFADRO CC(C)(COc1ncccc1Br)NC(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000418347021 655405766 /nfs/dbraw/zinc/40/57/66/655405766.db2.gz NFVSOFRCHFFOLG-CYBMUJFWSA-N 1 0 399.333 2.690 20 0 GFADRO CC(C)(C)[NH2+]CCNC(=O)C(=O)Nc1cc(Cl)cc(Br)c1 ZINC000453715859 655412349 /nfs/dbraw/zinc/41/23/49/655412349.db2.gz YDZYGVIQDDDQCM-UHFFFAOYSA-N 1 0 376.682 2.545 20 0 GFADRO C[C@@H](O)C[N@@H+]1CCN(C(=O)CCSc2nc3ccccc3s2)[C@H](C)C1 ZINC000194015348 655413821 /nfs/dbraw/zinc/41/38/21/655413821.db2.gz DWRDTUTUHKSULU-ZIAGYGMSSA-N 1 0 379.551 2.692 20 0 GFADRO CO[C@H]1CC[N@H+](Cn2nc(Br)c(=O)c3ccccc32)CC1(C)C ZINC000840124043 661136607 /nfs/dbraw/zinc/13/66/07/661136607.db2.gz JUPYURPEGXDZNH-AWEZNQCLSA-N 1 0 380.286 2.863 20 0 GFADRO COc1cc(CNC(=O)[C@@](C)([NH3+])c2ccccc2)cc(Br)c1OC ZINC000195267575 655419843 /nfs/dbraw/zinc/41/98/43/655419843.db2.gz VHPOHSCXHBOWBW-SFHVURJKSA-N 1 0 393.281 2.957 20 0 GFADRO CC(C)(C)OC(=O)N1CCN(CC[NH2+]Cc2occc2Br)CC1 ZINC000227370112 655422906 /nfs/dbraw/zinc/42/29/06/655422906.db2.gz LENVCUDVUTUEOZ-UHFFFAOYSA-N 1 0 388.306 2.684 20 0 GFADRO Cc1sc(C[NH2+]CCc2ccc(S(N)(=O)=O)cc2)cc1Br ZINC000227820994 655422935 /nfs/dbraw/zinc/42/29/35/655422935.db2.gz ZQVRNORTPYFMMT-UHFFFAOYSA-N 1 0 389.340 2.799 20 0 GFADRO COc1ccc(C[NH2+][C@H]2CCO[C@H](c3ccnn3C)C2)c(Br)c1O ZINC000562672197 655423905 /nfs/dbraw/zinc/42/39/05/655423905.db2.gz OSLXEQTYDZGFIA-WFASDCNBSA-N 1 0 396.285 2.907 20 0 GFADRO C#CCOc1ccccc1C[NH2+]CCNC(=O)c1cccc(Br)c1 ZINC000236631365 655424563 /nfs/dbraw/zinc/42/45/63/655424563.db2.gz YKTGVGKOLDIWKK-UHFFFAOYSA-N 1 0 387.277 2.981 20 0 GFADRO C[C@H]1CN(Cn2ncc(Cl)c(Cl)c2=O)CC[N@H+](Cc2ccccc2)C1 ZINC000840136420 661138547 /nfs/dbraw/zinc/13/85/47/661138547.db2.gz UKLWOESIRVJTGZ-CQSZACIVSA-N 1 0 381.307 2.962 20 0 GFADRO CN(C(=O)c1ccc(I)c(F)c1)C1CCC([NH3+])CC1 ZINC000237236298 655425911 /nfs/dbraw/zinc/42/59/11/655425911.db2.gz XKKDFJUBUZHRFT-UHFFFAOYSA-N 1 0 376.213 2.772 20 0 GFADRO C[C@@H](C(=O)N1CCC(OCCC[NH3+])CC1)c1ccc(Br)s1 ZINC000237450791 655426223 /nfs/dbraw/zinc/42/62/23/655426223.db2.gz NHEZOTVNKUVOBX-LLVKDONJSA-N 1 0 375.332 2.971 20 0 GFADRO C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)c1cc(I)ccc1Cl ZINC000574377319 655430099 /nfs/dbraw/zinc/43/00/99/655430099.db2.gz QDROOEIBVULNPP-SCZZXKLOSA-N 1 0 378.641 2.896 20 0 GFADRO C[N@@H+]1CCC[C@@H]2CN(CN3C(=O)c4cc(Cl)c(Cl)cc4C3=O)CC[C@H]21 ZINC000246974560 655430866 /nfs/dbraw/zinc/43/08/66/655430866.db2.gz JHROAKDWWFZJLX-BDJLRTHQSA-N 1 0 382.291 2.963 20 0 GFADRO CC(=O)N(c1nn(CN2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c(=S)s1)C1CC1 ZINC000246985472 655430877 /nfs/dbraw/zinc/43/08/77/655430877.db2.gz JZGZSEDPMHYGBH-ZFWWWQNUSA-N 1 0 381.571 2.563 20 0 GFADRO Cc1nc(Cc2nn(CN3CC[C@H]4[C@@H](CCC[N@H+]4C)C3)c(=S)o2)cs1 ZINC000246974287 655430887 /nfs/dbraw/zinc/43/08/87/655430887.db2.gz JHJCJXSPWFBJLA-ZFWWWQNUSA-N 1 0 379.555 2.935 20 0 GFADRO O=C(C[C@@H]1CCC[NH2+]1)NCc1ccc(I)c(Cl)c1 ZINC000574808368 655431230 /nfs/dbraw/zinc/43/12/30/655431230.db2.gz FYQIXSBZIQZNDJ-JTQLQIEISA-N 1 0 378.641 2.703 20 0 GFADRO C[C@@H]1CN(C(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)CC[S@@](=O)C1 ZINC000574855766 655432116 /nfs/dbraw/zinc/43/21/16/655432116.db2.gz UEAXIBDMZOQYCB-HXPRZGOKSA-N 1 0 383.583 2.541 20 0 GFADRO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000249453790 655434199 /nfs/dbraw/zinc/43/41/99/655434199.db2.gz GDWMZLKKYYFDFZ-YDHLFZDLSA-N 1 0 390.933 2.550 20 0 GFADRO O=C(c1cc[nH]c(=O)c1Br)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000575039226 655434640 /nfs/dbraw/zinc/43/46/40/655434640.db2.gz XGVZQEBYQDLBOT-BXUZGUMPSA-N 1 0 380.286 2.639 20 0 GFADRO Cc1cc(Br)cn2cc(CNC(=O)N[C@H](C)[C@@H]3CCC[NH2+]C3)nc12 ZINC000575108633 655435789 /nfs/dbraw/zinc/43/57/89/655435789.db2.gz WKYDZPKXLGOBQZ-CHWSQXEVSA-N 1 0 394.317 2.593 20 0 GFADRO CCN(C)C[C@@H](O)C[N@H+](Cc1cccc(Br)c1)C1CCOCC1 ZINC000575812555 655437785 /nfs/dbraw/zinc/43/77/85/655437785.db2.gz NJFQHYNEGWYQAQ-GOSISDBHSA-N 1 0 385.346 2.743 20 0 GFADRO C[C@@H]1C[C@H](NS(=O)(=O)/C=C\c2cccc(Br)c2)C[N@@H+]1C1CC1 ZINC000255622209 655439824 /nfs/dbraw/zinc/43/98/24/655439824.db2.gz FGXHCZIIHNDHIQ-ZXCURVTESA-N 1 0 385.327 2.964 20 0 GFADRO O=S(=O)(/C=C\c1cccc(Br)c1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000255668486 655440070 /nfs/dbraw/zinc/44/00/70/655440070.db2.gz FAWXGDNFIBZUHP-MRDWYFFCSA-N 1 0 385.327 2.920 20 0 GFADRO C[NH2+][C@@H](C)Cc1noc(Cc2csc(NC(=O)Cc3cccs3)n2)n1 ZINC000261766872 655442244 /nfs/dbraw/zinc/44/22/44/655442244.db2.gz MVYQKFFOGMSCTL-JTQLQIEISA-N 1 0 377.495 2.510 20 0 GFADRO CC(C)[N@H+](C)C[C@H](C)NC(=O)c1ccc(F)c(I)c1 ZINC000576080806 655442713 /nfs/dbraw/zinc/44/27/13/655442713.db2.gz PVZACUVICSDKMQ-JTQLQIEISA-N 1 0 378.229 2.889 20 0 GFADRO O=C(CSCc1ccc(Cl)cc1)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000261902296 655442828 /nfs/dbraw/zinc/44/28/28/655442828.db2.gz RSKHJYKCFHNDGT-CQSZACIVSA-N 1 0 395.878 2.526 20 0 GFADRO C[NH2+]CCC1CCN(CCS(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000261974176 655443349 /nfs/dbraw/zinc/44/33/49/655443349.db2.gz QMLCPUJZYUUWQA-UHFFFAOYSA-N 1 0 389.359 2.544 20 0 GFADRO O=C(NCC1C[NH2+]C1)c1ccccc1OCc1ccccc1Br ZINC000262029164 655443555 /nfs/dbraw/zinc/44/35/55/655443555.db2.gz OCVPQEWZQCMYRS-UHFFFAOYSA-N 1 0 375.266 2.977 20 0 GFADRO O=C(NCCc1cc(Br)ccc1F)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000576133568 655444092 /nfs/dbraw/zinc/44/40/92/655444092.db2.gz RINYVBMISNLQAR-GOEBONIOSA-N 1 0 384.293 2.818 20 0 GFADRO O=C(NC[C@@H]1CCC[NH2+]1)c1cc(I)cc(C(F)(F)F)c1 ZINC000262529035 655446051 /nfs/dbraw/zinc/44/60/51/655446051.db2.gz DUKROEOTHRJLOY-NSHDSACASA-N 1 0 398.166 2.792 20 0 GFADRO CCOC(=O)COc1c(Br)cc(C)cc1CN1C[C@@H](C[NH3+])C[C@@H]1C ZINC000576400103 655446771 /nfs/dbraw/zinc/44/67/71/655446771.db2.gz WEMDZMYGFIFYRI-UONOGXRCSA-N 1 0 399.329 2.869 20 0 GFADRO OC[C@@H](Cc1ccc(F)cc1)[NH2+]C[C@@H](O)COc1ccc(Br)cc1 ZINC000576518234 655448327 /nfs/dbraw/zinc/44/83/27/655448327.db2.gz WOSGPWDDTMYRGI-IAGOWNOFSA-N 1 0 398.272 2.521 20 0 GFADRO OC[C@H](Cc1ccc(F)cc1)[NH2+]C[C@@H](O)COc1ccc(Br)cc1 ZINC000576518231 655448343 /nfs/dbraw/zinc/44/83/43/655448343.db2.gz WOSGPWDDTMYRGI-DLBZAZTESA-N 1 0 398.272 2.521 20 0 GFADRO Cc1nc([C@@H](NC(=O)c2csc(CC[NH3+])n2)c2ccc(Cl)cc2)no1 ZINC000576519810 655448459 /nfs/dbraw/zinc/44/84/59/655448459.db2.gz PEFDCFFDNKTZML-AWEZNQCLSA-N 1 0 377.857 2.509 20 0 GFADRO CC(C)(CO)[C@H]([NH2+]Cc1cc(Cl)cc(S(N)(=O)=O)c1)c1cccs1 ZINC000576588318 655449623 /nfs/dbraw/zinc/44/96/23/655449623.db2.gz SEOQAOJNOJSTLJ-OAHLLOKOSA-N 1 0 388.942 2.898 20 0 GFADRO CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000576637632 655450273 /nfs/dbraw/zinc/45/02/73/655450273.db2.gz WDBOQXDSTRXXRX-ZDUSSCGKSA-N 1 0 382.295 2.999 20 0 GFADRO O[C@@H](C[NH2+][C@H]1CCC[C@H]2C[C@H]21)COc1ccc(I)cc1 ZINC000576840347 655452762 /nfs/dbraw/zinc/45/27/62/655452762.db2.gz UIRZZKBJRVLLQR-YUDUHTQSSA-N 1 0 387.261 2.809 20 0 GFADRO C[N@H+](CCn1cc(Br)cn1)C[C@@H](O)COc1ccccc1Cl ZINC000576858499 655453248 /nfs/dbraw/zinc/45/32/48/655453248.db2.gz LTKFILCCOHESTI-CYBMUJFWSA-N 1 0 388.693 2.671 20 0 GFADRO COC[C@@]1(CNC(=O)CSCc2cc(-c3cccs3)on2)CCC[NH2+]1 ZINC000576863187 655453379 /nfs/dbraw/zinc/45/33/79/655453379.db2.gz HRGFVKLHPQSKHT-KRWDZBQOSA-N 1 0 381.523 2.521 20 0 GFADRO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1CC(=O)Nc2ccc(Br)cc21 ZINC000576915792 655454507 /nfs/dbraw/zinc/45/45/07/655454507.db2.gz KLEDXEPZTJSPLV-BXUZGUMPSA-N 1 0 382.302 2.720 20 0 GFADRO C[NH+](C)Cc1ccc(C(=O)N[C@@H](CO)c2ccc(Br)c(F)c2)cn1 ZINC000576931049 655455092 /nfs/dbraw/zinc/45/50/92/655455092.db2.gz YTIREAXSIMDUAM-INIZCTEOSA-N 1 0 396.260 2.508 20 0 GFADRO COc1c(Cl)cc(NC(=O)C(=O)N(C)CC2CC[NH+](C)CC2)cc1Cl ZINC000264219121 655459155 /nfs/dbraw/zinc/45/91/55/655459155.db2.gz XDSGAXYYIKROGV-UHFFFAOYSA-N 1 0 388.295 2.741 20 0 GFADRO CCN(Cc1cccc(Br)c1)C(=O)N[C@@H](C)CN1CC[NH+](C)CC1 ZINC000264396745 655462705 /nfs/dbraw/zinc/46/27/05/655462705.db2.gz YHBPHMGCDFGERQ-HNNXBMFYSA-N 1 0 397.361 2.617 20 0 GFADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)COc3c(Cl)cccc3Cl)C2)CC1 ZINC000264463574 655464345 /nfs/dbraw/zinc/46/43/45/655464345.db2.gz SEOMBSCJJYCNHZ-CQSZACIVSA-N 1 0 386.323 2.611 20 0 GFADRO COCC[N@@H+]1CC[C@H](NC(=O)Cc2csc(-c3ccccc3Cl)n2)C1 ZINC000264477061 655464528 /nfs/dbraw/zinc/46/45/28/655464528.db2.gz HFYJGHULUVLVNO-ZDUSSCGKSA-N 1 0 379.913 2.843 20 0 GFADRO C[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)C1 ZINC000264624263 655467279 /nfs/dbraw/zinc/46/72/79/655467279.db2.gz OULWCDMYJQJZDE-BLLLJJGKSA-N 1 0 384.307 2.666 20 0 GFADRO C[C@H](CNS(=O)(=O)c1ccc(OC(F)F)c(F)c1)[N@@H+]1CCCC[C@H]1C ZINC000577854831 655468442 /nfs/dbraw/zinc/46/84/42/655468442.db2.gz FUQJGOIOYWTLLA-VXGBXAGGSA-N 1 0 380.432 2.968 20 0 GFADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)C1(c2ccc(Br)cc2)CCCC1 ZINC000264796350 655470629 /nfs/dbraw/zinc/47/06/29/655470629.db2.gz VOWUNXREMIJUSP-KRWDZBQOSA-N 1 0 394.357 2.623 20 0 GFADRO CC[N@@H+]1CCCC[C@H]1CNC(=O)N(C)C[C@@H](O)c1cccc(Br)c1 ZINC000840294264 661151884 /nfs/dbraw/zinc/15/18/84/661151884.db2.gz NCOKEOAWRTYHKJ-DLBZAZTESA-N 1 0 398.345 2.998 20 0 GFADRO [NH3+]C[C@@H]1CCCC[C@@]12NC(=O)N(Cc1ccc(Br)c(F)c1)C2=O ZINC000578320422 655476625 /nfs/dbraw/zinc/47/66/25/655476625.db2.gz SSTOPJJVYVNKGD-MEDUHNTESA-N 1 0 384.249 2.528 20 0 GFADRO O=S(=O)(Cc1cccc(C(F)(F)F)c1)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000578323014 655476782 /nfs/dbraw/zinc/47/67/82/655476782.db2.gz WZJFJOHGGVZFNI-GJZGRUSLSA-N 1 0 376.444 2.857 20 0 GFADRO Cc1csc([C@](O)(CC(=O)NC[C@@H](CC(C)C)[NH+](C)C)C(F)(F)F)n1 ZINC000265116872 655477633 /nfs/dbraw/zinc/47/76/33/655477633.db2.gz MNSZWURXNUAJMF-IUODEOHRSA-N 1 0 381.464 2.684 20 0 GFADRO C[C@H](CNC(=O)C(=O)Nc1cccc(C2SCCS2)c1)[N@H+](C)C1CC1 ZINC000265385081 655482534 /nfs/dbraw/zinc/48/25/34/655482534.db2.gz MEVXIEDZUHBVQG-GFCCVEGCSA-N 1 0 379.551 2.703 20 0 GFADRO [NH3+]CC[C@@H](NC(=O)C1(c2ccc(Br)cc2)CCOCC1)C(F)F ZINC000578750638 655486337 /nfs/dbraw/zinc/48/63/37/655486337.db2.gz VCNHQOIKNVYSES-CYBMUJFWSA-N 1 0 391.256 2.596 20 0 GFADRO C[N@@H+]1CCCC[C@H]1CCOC(=O)c1ccccc1S(=O)(=O)CC(F)F ZINC000840227398 661148340 /nfs/dbraw/zinc/14/83/40/661148340.db2.gz AZJPDNDARAPGEV-ZDUSSCGKSA-N 1 0 375.437 2.757 20 0 GFADRO CC(C)N(Cc1cccc(Br)c1)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000578864975 655488269 /nfs/dbraw/zinc/48/82/69/655488269.db2.gz HMSJCXBZHZQAEX-MRXNPFEDSA-N 1 0 384.318 2.748 20 0 GFADRO COC[C@]1(CNC(=O)N2CCSC[C@@H]2c2ccc(Cl)cc2)CCC[NH2+]1 ZINC000579091017 655493759 /nfs/dbraw/zinc/49/37/59/655493759.db2.gz DIDSWRKMARTAPN-SJLPKXTDSA-N 1 0 383.945 2.908 20 0 GFADRO [NH3+][C@@H]1CCc2ncc(NC(=O)c3cccc(I)c3)cc2C1 ZINC000579110358 655494173 /nfs/dbraw/zinc/49/41/73/655494173.db2.gz GUTZFDLVQWBXCT-CYBMUJFWSA-N 1 0 393.228 2.755 20 0 GFADRO O=C(c1cc(=O)[nH]c2c(Br)cccc12)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000579247016 655496655 /nfs/dbraw/zinc/49/66/55/655496655.db2.gz RNXJDKBFIWPXGY-SFHVURJKSA-N 1 0 390.281 2.919 20 0 GFADRO CC[C@@H]([NH2+][C@@H]1CCS(=O)(=O)c2ccc(Br)cc21)C(C)(C)O ZINC000579247998 655496678 /nfs/dbraw/zinc/49/66/78/655496678.db2.gz VMLXYSIRUXEWIV-TZMCWYRMSA-N 1 0 376.316 2.807 20 0 GFADRO Cc1csc([C@](O)(CC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)C(F)(F)F)n1 ZINC000266095841 655496792 /nfs/dbraw/zinc/49/67/92/655496792.db2.gz QMTGOLCRYJKLED-LALPHHSUSA-N 1 0 379.448 2.533 20 0 GFADRO C[C@H](CNC(=O)[C@H](c1ccc(Cl)cc1Cl)N1CCOCC1)C[NH+](C)C ZINC000579505519 655500481 /nfs/dbraw/zinc/50/04/81/655500481.db2.gz IVZWHXOPHZHESH-DYVFJYSZSA-N 1 0 388.339 2.681 20 0 GFADRO O=C(NC[C@H]1CCN(c2ccc(Br)cc2)C1)[C@H]1CCCCC[NH2+]1 ZINC000579714361 655502877 /nfs/dbraw/zinc/50/28/77/655502877.db2.gz SAKPDGJHWPZEPH-RHSMWYFYSA-N 1 0 380.330 2.924 20 0 GFADRO C[C@H](CNC(=O)Cc1noc2ccc(Br)cc21)C[NH+]1CCCC1 ZINC000579827774 655504404 /nfs/dbraw/zinc/50/44/04/655504404.db2.gz WDKBJEKQXIVUFD-GFCCVEGCSA-N 1 0 380.286 2.981 20 0 GFADRO Cc1c(C(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)nnn1-c1cccc(Br)c1 ZINC000580182460 655509427 /nfs/dbraw/zinc/50/94/27/655509427.db2.gz YKMLRHFEJADWIJ-GXTWGEPZSA-N 1 0 392.301 2.586 20 0 GFADRO CCCN(CC[NH+]1CCCC1)C(=O)c1ccc(Cl)c(NS(C)(=O)=O)c1 ZINC000580228495 655510387 /nfs/dbraw/zinc/51/03/87/655510387.db2.gz CEQAAUHFWVOUCW-UHFFFAOYSA-N 1 0 387.933 2.660 20 0 GFADRO CO[C@@]1(C)C[C@@H]([NH2+]Cc2cc(=O)n3cc(Br)ccc3n2)C1(C)C ZINC000580278359 655510780 /nfs/dbraw/zinc/51/07/80/655510780.db2.gz XIJYOYLRSIGDIJ-DYVFJYSZSA-N 1 0 380.286 2.750 20 0 GFADRO Cn1cc(Br)c(C(=O)NC[C@]2(C)CC[N@H+](Cc3ccccc3)C2)n1 ZINC000710346022 655522485 /nfs/dbraw/zinc/52/24/85/655522485.db2.gz OUQANTADIPBFNA-SFHVURJKSA-N 1 0 391.313 2.825 20 0 GFADRO O=C(N[C@@]12CCC[C@H]1[NH2+]CC2)c1cc(Cl)ccc1I ZINC000711704425 655522574 /nfs/dbraw/zinc/52/25/74/655522574.db2.gz CZQJLSOAVHYTKU-TZMCWYRMSA-N 1 0 390.652 2.959 20 0 GFADRO CO[C@](C)(C[NH2+]Cc1cn(C)nc1Br)COCc1ccccc1 ZINC000712479797 655522791 /nfs/dbraw/zinc/52/27/91/655522791.db2.gz NCOLJOOIHILYEZ-QGZVFWFLSA-N 1 0 382.302 2.894 20 0 GFADRO [NH3+]C1(CC(=O)NCc2ncc(Cl)s2)CCN(Cc2ccccc2)CC1 ZINC000719421797 655524379 /nfs/dbraw/zinc/52/43/79/655524379.db2.gz LLVLASGNEUOUHT-UHFFFAOYSA-N 1 0 378.929 2.796 20 0 GFADRO COCC[NH+]1CCC(NC(=S)NCc2cccc(C(F)(F)F)c2)CC1 ZINC000726480664 655535462 /nfs/dbraw/zinc/53/54/62/655535462.db2.gz SLCVTFRBJRMQNT-UHFFFAOYSA-N 1 0 375.460 2.780 20 0 GFADRO CCCC[N@@H+]1CCCC[C@@H]1CNS(=O)(=O)c1c(Cl)nc2sccn21 ZINC000728589220 655557634 /nfs/dbraw/zinc/55/76/34/655557634.db2.gz FTVMUTMNNLVEPE-GFCCVEGCSA-N 1 0 390.962 2.982 20 0 GFADRO C[NH+](C)C[C@H]1CCCCN1C(=O)c1cn(-c2ccccc2Br)nn1 ZINC000729372544 655564306 /nfs/dbraw/zinc/56/43/06/655564306.db2.gz OYSZGFSCIJGCGM-CYBMUJFWSA-N 1 0 392.301 2.586 20 0 GFADRO O=C(NCCc1ccc(Br)cc1F)N1CC[NH+](CC2CC2)CC1 ZINC000731122288 655581928 /nfs/dbraw/zinc/58/19/28/655581928.db2.gz UFWXTDKGOFWUCH-UHFFFAOYSA-N 1 0 384.293 2.868 20 0 GFADRO CSc1nc2ccc(NC(=O)N3CC[NH+](CC(C)(C)O)CC3)cc2s1 ZINC000731536138 655584270 /nfs/dbraw/zinc/58/42/70/655584270.db2.gz RJWCDGCYVKQPSE-UHFFFAOYSA-N 1 0 380.539 2.939 20 0 GFADRO Cc1ccc(/C=C\C(=O)N(C)CCCN2CC[NH+](C)CC2)c(Br)c1 ZINC000732114736 655591928 /nfs/dbraw/zinc/59/19/28/655591928.db2.gz QCGDUISYMSVCSG-FPLPWBNLSA-N 1 0 394.357 2.867 20 0 GFADRO C[NH+](C)CCNC(=S)Nc1cccc(CS(=O)(=O)C2CCCCC2)c1 ZINC000732624269 655599323 /nfs/dbraw/zinc/59/93/23/655599323.db2.gz JTJRRXHFGKRRFL-UHFFFAOYSA-N 1 0 383.583 2.782 20 0 GFADRO C[N@H+](CCNC(=O)N1CCO[C@@H](c2ccccc2Br)C1)C1CC1 ZINC000732891590 655604231 /nfs/dbraw/zinc/60/42/31/655604231.db2.gz OLZHFWODABGAHU-MRXNPFEDSA-N 1 0 382.302 2.626 20 0 GFADRO CS[C@@H]1CCC[C@H]([NH2+]Cc2c(C)nn([C@H]3CCS(=O)(=O)C3)c2Cl)C1 ZINC000735323961 655645274 /nfs/dbraw/zinc/64/52/74/655645274.db2.gz IUYDEBMPCUVPSV-MELADBBJSA-N 1 0 391.990 2.968 20 0 GFADRO O=c1ccn(C[N@@H+]2CCC[C@@H](C3OCCO3)C2)c2c(Br)cccc12 ZINC000738148283 655686122 /nfs/dbraw/zinc/68/61/22/655686122.db2.gz KIINISNIDOPQIA-CYBMUJFWSA-N 1 0 393.281 2.806 20 0 GFADRO C[C@@H]1CCC[N@@H+]1CCNC(=O)Cc1csc(NC(=O)c2cccs2)n1 ZINC000742242545 655712861 /nfs/dbraw/zinc/71/28/61/655712861.db2.gz XOIARPHBFCCRFQ-GFCCVEGCSA-N 1 0 378.523 2.600 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)COc2ccc(C=O)cc2Br)[C@@H](C)C1 ZINC000742704099 655720359 /nfs/dbraw/zinc/72/03/59/655720359.db2.gz JUKBZIBKPAIDGT-XJKSGUPXSA-N 1 0 397.313 2.829 20 0 GFADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]CCCc1ccccc1 ZINC000743503240 655729811 /nfs/dbraw/zinc/72/98/11/655729811.db2.gz RNEYGPPSAQPPRD-MRXNPFEDSA-N 1 0 381.929 2.927 20 0 GFADRO C[C@@H]1CCC[N@@H+]1CCNC(=O)C(=O)Nc1ccccc1SC(F)(F)F ZINC000743978879 655733492 /nfs/dbraw/zinc/73/34/92/655733492.db2.gz AMSPGMLRWDVASE-LLVKDONJSA-N 1 0 375.416 2.838 20 0 GFADRO COC(=O)/C=C1\SCC(=O)N1CCC[NH2+]C(C)(C)c1nc(C)c(C)s1 ZINC000744424147 655739944 /nfs/dbraw/zinc/73/99/44/655739944.db2.gz GIACAQXGAOIKRY-ZROIWOOFSA-N 1 0 383.539 2.565 20 0 GFADRO CC[N@@H+]1CCC[C@H](CNC(=O)/C=C\c2ccc(I)o2)C1 ZINC000746524533 655763377 /nfs/dbraw/zinc/76/33/77/655763377.db2.gz BAWBMHOUPVNLPJ-XYLWRLHESA-N 1 0 388.249 2.746 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=S)NCCSc1ccccc1 ZINC000746552367 655763811 /nfs/dbraw/zinc/76/38/11/655763811.db2.gz SMGLIJZCDZIOGN-NXHRZFHOSA-N 1 0 379.595 2.837 20 0 GFADRO CCCC1N=NC(=S)N1CC(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000746635777 655765268 /nfs/dbraw/zinc/76/52/68/655765268.db2.gz KDPLGGOYKDHBIS-AWEZNQCLSA-N 1 0 381.933 2.592 20 0 GFADRO CC[NH+](CC)CCO[C@@H]1CCN(Cn2nc(N3CCCC3)sc2=S)C1 ZINC000747470699 655779462 /nfs/dbraw/zinc/77/94/62/655779462.db2.gz OQJZKOWFKDGESR-OAHLLOKOSA-N 1 0 385.603 2.664 20 0 GFADRO C[N@H+](CCC(=O)Nc1ccc(C(N)=O)c(Cl)c1)Cc1ccc(Cl)nc1 ZINC000749155910 655801226 /nfs/dbraw/zinc/80/12/26/655801226.db2.gz KOBHNAVEEXMLQF-UHFFFAOYSA-N 1 0 381.263 2.948 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)c2cn(-c3ccccc3Br)nn2)C1 ZINC000749453190 655805162 /nfs/dbraw/zinc/80/51/62/655805162.db2.gz JODFIGBIACPYMP-CHWSQXEVSA-N 1 0 392.301 2.632 20 0 GFADRO CC[NH+](CC)C[C@@H](C)NC(=O)/C=C/c1ccc(I)o1 ZINC000749978145 655810174 /nfs/dbraw/zinc/81/01/74/655810174.db2.gz UTXMUZGGJPVVLI-MXMFLMJRSA-N 1 0 376.238 2.744 20 0 GFADRO CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)c1cc(I)c[nH]1 ZINC000750237679 655812887 /nfs/dbraw/zinc/81/28/87/655812887.db2.gz AIAFTFITZLYIKY-UHFFFAOYSA-N 1 0 397.260 2.953 20 0 GFADRO COC1CC[NH+](CCNC(=S)NCc2ccc(Br)cc2)CC1 ZINC000751038068 655820698 /nfs/dbraw/zinc/82/06/98/655820698.db2.gz GKSFSAGIQVYVSD-UHFFFAOYSA-N 1 0 386.359 2.524 20 0 GFADRO C[C@@H]1C[NH+](CN2C(=O)N[C@](C)(c3ccccc3Br)C2=O)C[C@H]1C ZINC000751926818 655836161 /nfs/dbraw/zinc/83/61/61/655836161.db2.gz IGVPKMGEYAOYGN-PSTGCABASA-N 1 0 380.286 2.761 20 0 GFADRO COCC[N@H+](C)CCNC(=O)N[C@H]1CCOc2c(Cl)c(Cl)ccc21 ZINC000753123581 655850619 /nfs/dbraw/zinc/85/06/19/655850619.db2.gz AXNKYAXQKPVVDM-ZDUSSCGKSA-N 1 0 376.284 2.694 20 0 GFADRO OC[C@@H](C[C@H](O)c1ccccc1)[NH2+]Cc1ccccc1I ZINC000754083181 655863442 /nfs/dbraw/zinc/86/34/42/655863442.db2.gz UGCFIQJITBMGFJ-WBVHZDCISA-N 1 0 397.256 2.865 20 0 GFADRO Cc1cc(Br)ncc1NC(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000754456133 655867986 /nfs/dbraw/zinc/86/79/86/655867986.db2.gz OGOYWNVVWHSPRM-BETUJISGSA-N 1 0 385.306 2.773 20 0 GFADRO CS(=O)(=O)c1ccc(C[NH2+]C[C@@H](O)c2ccccc2C(F)(F)F)s1 ZINC000840885343 661198627 /nfs/dbraw/zinc/19/86/27/661198627.db2.gz CHPZOGXZASWSKM-CYBMUJFWSA-N 1 0 379.425 2.994 20 0 GFADRO O=c1c(Br)nn(CN2CC[C@@H]([NH+]3CCCCC3)C2)c2ccccc12 ZINC000755739444 655887981 /nfs/dbraw/zinc/88/79/81/655887981.db2.gz MDBMCKGJRCMSHA-CQSZACIVSA-N 1 0 391.313 2.677 20 0 GFADRO O=c1c(Br)nn(CN2CC[C@H](C[NH+]3CCCC3)C2)c2ccccc12 ZINC000755751280 655888433 /nfs/dbraw/zinc/88/84/33/655888433.db2.gz VNBAJQFKEGAWSV-CQSZACIVSA-N 1 0 391.313 2.534 20 0 GFADRO Cc1ccc(N2N=C(Br)C[C@H]2C(=O)N2CC[C@H](C[NH+](C)C)C2)cc1 ZINC000756093352 655894630 /nfs/dbraw/zinc/89/46/30/655894630.db2.gz GBTWSPCGUJHMPQ-ZBFHGGJFSA-N 1 0 393.329 2.692 20 0 GFADRO C[C@H]1CCC[N@@H+]1CCNC(=O)C(=O)Nc1ccc(Cl)c(Br)c1 ZINC000756189237 655896601 /nfs/dbraw/zinc/89/66/01/655896601.db2.gz CGTLJTGAIJZENL-JTQLQIEISA-N 1 0 388.693 2.642 20 0 GFADRO CN1CC[NH+](CC2(C)CCN(C(=S)NCCc3cccs3)CC2)CC1 ZINC000757943584 655919328 /nfs/dbraw/zinc/91/93/28/655919328.db2.gz PQNGDSBOVKTBPQ-UHFFFAOYSA-N 1 0 380.627 2.515 20 0 GFADRO O[C@H](C[NH2+]C[C@]1(N2CCOCC2)CCSC1)c1ccc(Cl)cc1Cl ZINC000759064116 655946222 /nfs/dbraw/zinc/94/62/22/655946222.db2.gz CZQOGRYYBMMFHD-IAGOWNOFSA-N 1 0 391.364 2.824 20 0 GFADRO C[C@H]1CCCC[C@]1(CNC(=O)OC(C)(C)C)[NH2+]CCCCS(C)(=O)=O ZINC000759707731 655961412 /nfs/dbraw/zinc/96/14/12/655961412.db2.gz IPCLQSFRMWNRHU-MAUKXSAKSA-N 1 0 376.563 2.874 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)c2cnn(-c3ccccc3)c2Br)CC[N@@H+]1C ZINC000760314820 655975621 /nfs/dbraw/zinc/97/56/21/655975621.db2.gz LUCWUZMNRAMTCY-OLZOCXBDSA-N 1 0 377.286 2.847 20 0 GFADRO CC[NH+]1CCC(CN2C(=O)N[C@@H](c3ccc(Br)cc3)C2=O)CC1 ZINC000761118210 655999025 /nfs/dbraw/zinc/99/90/25/655999025.db2.gz GNNNXUZEGTYLKK-HNNXBMFYSA-N 1 0 380.286 2.774 20 0 GFADRO CCCC[N@H+](C)CCN1C(=O)N[C@@](C)(c2cccc(Br)c2)C1=O ZINC000761197853 656003132 /nfs/dbraw/zinc/00/31/32/656003132.db2.gz DJIHRXIXFZNMAK-KRWDZBQOSA-N 1 0 382.302 2.948 20 0 GFADRO C[N@@H+]1CCC[C@H](CN2C(=O)NC3(CCSCC3)C2=O)[C@H]1c1cccs1 ZINC000761442011 656015987 /nfs/dbraw/zinc/01/59/87/656015987.db2.gz FJHSLOGQCNCFFQ-HIFRSBDPSA-N 1 0 379.551 2.949 20 0 GFADRO C[C@@H](CNC(=O)NCCOc1ncc(Cl)cc1Cl)[NH+]1CCCCC1 ZINC000762053098 656029408 /nfs/dbraw/zinc/02/94/08/656029408.db2.gz MSQLGYNWOZUHAC-LBPRGKRZSA-N 1 0 375.300 2.941 20 0 GFADRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)N[C@@H]2CC[C@@H]3SCCS[C@@H]23)C1 ZINC000762621914 656051817 /nfs/dbraw/zinc/05/18/17/656051817.db2.gz ANZRZNQPRUYZGV-NCOADZHNSA-N 1 0 387.615 2.508 20 0 GFADRO COC(=O)[C@H]1CN(Cc2nc3ccc(Br)cc3s2)CC[N@H+](C)C1 ZINC000840959502 661219972 /nfs/dbraw/zinc/21/99/72/661219972.db2.gz XBGYDQCIWOCJTM-LLVKDONJSA-N 1 0 398.326 2.595 20 0 GFADRO COC(=O)c1cc(C[N@H+](C)C[C@H](O)c2cccc(Br)c2)cn1C ZINC000840959072 661220430 /nfs/dbraw/zinc/22/04/30/661220430.db2.gz PIYDTVIHAOQFSS-INIZCTEOSA-N 1 0 381.270 2.740 20 0 GFADRO C[NH+](C)CCNC(=S)NCc1ccc(Br)cc1C(F)(F)F ZINC000763302552 656078645 /nfs/dbraw/zinc/07/86/45/656078645.db2.gz DMESVXPLLDKQFG-UHFFFAOYSA-N 1 0 384.265 2.994 20 0 GFADRO C[C@@H]([NH2+]C[C@@H]1CC2(CC2)C(=O)O1)c1cc2c(cc1Br)OCCO2 ZINC000763739613 656092267 /nfs/dbraw/zinc/09/22/67/656092267.db2.gz WQDLJCIWVSSQAK-MNOVXSKESA-N 1 0 382.254 2.967 20 0 GFADRO CS(=O)(=O)CC1(C[NH2+]Cc2ccccc2I)CCC1 ZINC000840976001 661223852 /nfs/dbraw/zinc/22/38/52/661223852.db2.gz UCRXTMNAFKIWQD-UHFFFAOYSA-N 1 0 393.290 2.596 20 0 GFADRO C[C@@H]1CN(C(=O)/C=C/c2ccc(Br)o2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000764076458 656100634 /nfs/dbraw/zinc/10/06/34/656100634.db2.gz RTJZEWNPUXOSHT-WQDDEOEWSA-N 1 0 396.329 2.540 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000764232240 656105296 /nfs/dbraw/zinc/10/52/96/656105296.db2.gz VERYDRFYDWTNND-HUUCEWRRSA-N 1 0 382.302 2.996 20 0 GFADRO C[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc3cc(Br)ccc3c2)C1 ZINC000764251685 656105867 /nfs/dbraw/zinc/10/58/67/656105867.db2.gz ZBXLSLBXWCISLP-MRXNPFEDSA-N 1 0 390.281 2.751 20 0 GFADRO O=C([C@H](O)c1cc(Cl)cc(Cl)c1)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000764923957 656123568 /nfs/dbraw/zinc/12/35/68/656123568.db2.gz WMAMZNIGLWGRRX-IAGOWNOFSA-N 1 0 387.307 2.740 20 0 GFADRO O=C([C@@H](O)c1cc(Cl)cc(Cl)c1)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000764923960 656123591 /nfs/dbraw/zinc/12/35/91/656123591.db2.gz WMAMZNIGLWGRRX-IRXDYDNUSA-N 1 0 387.307 2.740 20 0 GFADRO Cc1cc2c(cc1Br)N(C[C@H]1CCCN(C(=O)C[NH3+])C1)CCC2 ZINC000841011822 661226638 /nfs/dbraw/zinc/22/66/38/661226638.db2.gz OHYLESSVFYOTLG-CQSZACIVSA-N 1 0 380.330 2.707 20 0 GFADRO CC[NH+](CC)CCO[C@@H]1CCN(Cn2ncc(Br)c2C2CC2)C1 ZINC000765053694 656128223 /nfs/dbraw/zinc/12/82/23/656128223.db2.gz JNGNJZDUSVENOZ-OAHLLOKOSA-N 1 0 385.350 2.913 20 0 GFADRO CN(C(=O)Nc1cc2c(cc1Br)OCCO2)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000841016412 661228130 /nfs/dbraw/zinc/22/81/30/661228130.db2.gz VLUHABWOVMKSGS-FOSCPWQOSA-N 1 0 396.285 2.967 20 0 GFADRO CCc1nc2c(s1)[C@H]([NH2+]CCNS(=O)(=O)Cc1ccccc1)CCC2 ZINC000765278570 656139440 /nfs/dbraw/zinc/13/94/40/656139440.db2.gz JUYNPZNFGNABHE-OAHLLOKOSA-N 1 0 379.551 2.792 20 0 GFADRO CC1(CNC(=O)Nc2cc3c(cc2Br)OCCO3)CC[NH2+]CC1 ZINC000841016739 661228592 /nfs/dbraw/zinc/22/85/92/661228592.db2.gz XDJGHGUBMHPPBQ-UHFFFAOYSA-N 1 0 384.274 2.732 20 0 GFADRO CC[N@@H+]1C[C@@H](C)N(C(=O)COc2ccc(C=O)cc2Br)C[C@@H]1C ZINC000765933740 656155538 /nfs/dbraw/zinc/15/55/38/656155538.db2.gz VAYNZAIWACCSBR-QWHCGFSZSA-N 1 0 383.286 2.582 20 0 GFADRO C[C@H](Cc1cccc(F)c1)[NH2+]CC1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000765934963 656155680 /nfs/dbraw/zinc/15/56/80/656155680.db2.gz IZPJYLSKSUEYBC-GFCCVEGCSA-N 1 0 382.423 2.908 20 0 GFADRO CC(C)[C@@H]1CN(C)CCN1C(=O)c1cc(=O)c2cc(Br)ccc2o1 ZINC000841126521 661235637 /nfs/dbraw/zinc/23/56/37/661235637.db2.gz GYFCKPIVXAHKKE-AWEZNQCLSA-N 1 0 393.281 2.968 20 0 GFADRO C[C@H](CCC[NH3+])NC(=O)Nc1cnc(Br)c(Br)c1 ZINC000841141197 661236513 /nfs/dbraw/zinc/23/65/13/661236513.db2.gz GKDPPJVQCBUQMR-SSDOTTSWSA-N 1 0 380.084 2.856 20 0 GFADRO O=C(NCC1CC[NH2+]CC1)Nc1cnc(Br)c(Br)c1 ZINC000841141743 661237032 /nfs/dbraw/zinc/23/70/32/661237032.db2.gz JOWGRRPWQWYVEZ-UHFFFAOYSA-N 1 0 392.095 2.728 20 0 GFADRO O=C(NC[C@@H]1CCCC[NH2+]1)Nc1cnc(Br)c(Br)c1 ZINC000841143323 661237661 /nfs/dbraw/zinc/23/76/61/661237661.db2.gz YEESGFQROAPMMD-QMMMGPOBSA-N 1 0 392.095 2.870 20 0 GFADRO CC1(C)CN(C(=O)Nc2cnc(Br)c(Br)c2)CC[NH2+]1 ZINC000841143289 661237831 /nfs/dbraw/zinc/23/78/31/661237831.db2.gz WYITULJZMKCKSW-UHFFFAOYSA-N 1 0 392.095 2.822 20 0 GFADRO O=C(NCCC[NH2+]C1CC1)Nc1cnc(Br)c(Br)c1 ZINC000841143378 661238227 /nfs/dbraw/zinc/23/82/27/661238227.db2.gz YWQVGVPEOWLUFW-UHFFFAOYSA-N 1 0 392.095 2.870 20 0 GFADRO CCC[N@H+](CCCCS(C)(=O)=O)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000768539456 656241487 /nfs/dbraw/zinc/24/14/87/656241487.db2.gz LBWRBVIVARAGME-UHFFFAOYSA-N 1 0 376.563 2.923 20 0 GFADRO CSc1nc2ccc(NC(=O)C(=O)N3CCC[C@@H]([C@@H](C)[NH3+])C3)cc2s1 ZINC000841180252 661242068 /nfs/dbraw/zinc/24/20/68/661242068.db2.gz ZBZWESMQXASXHE-GHMZBOCLSA-N 1 0 378.523 2.543 20 0 GFADRO C[C@H]([NH3+])CCNC(=O)C(=O)Nc1ccccc1SC[C@@H]1CC1(Cl)Cl ZINC000841164221 661240740 /nfs/dbraw/zinc/24/07/40/661240740.db2.gz NUYIBAHAKPHSRE-QWRGUYRKSA-N 1 0 390.336 2.765 20 0 GFADRO C[NH+](C)[C@H](CNC(=S)NC[C@H]1CCOC1)c1cccc(C(F)(F)F)c1 ZINC000768786434 656251509 /nfs/dbraw/zinc/25/15/09/656251509.db2.gz SNQHSVDZCNGAND-IUODEOHRSA-N 1 0 375.460 2.809 20 0 GFADRO CN(C(=O)C(=O)Nc1cc2c(cc1Br)CCC2)C1CCC([NH3+])CC1 ZINC000841188364 661242859 /nfs/dbraw/zinc/24/28/59/661242859.db2.gz ASRSLNUQEYBEDY-UHFFFAOYSA-N 1 0 394.313 2.605 20 0 GFADRO CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NS(=O)(=O)c1cnc(Cl)n1C ZINC000768908115 656260051 /nfs/dbraw/zinc/26/00/51/656260051.db2.gz BJURXYDYOWLQTH-OAHLLOKOSA-N 1 0 384.933 2.508 20 0 GFADRO C[NH+](C)CC1(NC(=O)c2cc(=O)c3cc(Br)ccc3o2)CCC1 ZINC000841217670 661245092 /nfs/dbraw/zinc/24/50/92/661245092.db2.gz IKDHNXUGBBQGPE-UHFFFAOYSA-N 1 0 379.254 2.770 20 0 GFADRO CC(C)(C)CC[NH+]1CCN(C(=O)c2nccn3c(Br)cnc23)CC1 ZINC000769711510 656287121 /nfs/dbraw/zinc/28/71/21/656287121.db2.gz BOSVJVKQVRDGLI-UHFFFAOYSA-N 1 0 394.317 2.686 20 0 GFADRO C[C@@H]1CCC[C@](CNC(=O)c2nccn3c(Br)cnc23)([NH+](C)C)C1 ZINC000769716903 656287618 /nfs/dbraw/zinc/28/76/18/656287618.db2.gz RAJYTIFXEKZFHP-PXAZEXFGSA-N 1 0 394.317 2.732 20 0 GFADRO C[C@]1(C[NH3+])CCN(C(=O)C(=O)Nc2ccc3cc(Br)ccc3c2)C1 ZINC000841235061 661247037 /nfs/dbraw/zinc/24/70/37/661247037.db2.gz VNYNDTAMGYNVHY-GOSISDBHSA-N 1 0 390.281 2.738 20 0 GFADRO C[NH+](C)Cc1ccccc1CNC(=O)c1cccnc1I ZINC000770491149 656321038 /nfs/dbraw/zinc/32/10/38/656321038.db2.gz VCSQPVJPVOTIJN-UHFFFAOYSA-N 1 0 395.244 2.678 20 0 GFADRO [NH3+]C[C@@H]1CC[C@H](NC(=O)C(=O)Nc2ccc3cc(Br)ccc3c2)C1 ZINC000841261793 661250220 /nfs/dbraw/zinc/25/02/20/661250220.db2.gz VYMMATWWDKIDSX-ABAIWWIYSA-N 1 0 390.281 2.784 20 0 GFADRO COC(=O)C[C@@]1([NH2+]CC(=O)Nc2cccc(Cl)c2Cl)CCCOC1 ZINC000770697617 656327201 /nfs/dbraw/zinc/32/72/01/656327201.db2.gz JSMCZYPZUZPAKG-INIZCTEOSA-N 1 0 375.252 2.634 20 0 GFADRO O=C(Nc1cccc(Cl)c1SC(F)F)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000841296952 661251695 /nfs/dbraw/zinc/25/16/95/661251695.db2.gz KGPUPJIMSNATKM-SECBINFHSA-N 1 0 377.844 2.852 20 0 GFADRO Cc1ccsc1-c1nsc(NC(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)n1 ZINC000771268378 656344525 /nfs/dbraw/zinc/34/45/25/656344525.db2.gz IGJUUIUELBHNMT-RYUDHWBXSA-N 1 0 379.511 2.560 20 0 GFADRO O=C(Cc1cc(Br)ccc1F)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000771490155 656350750 /nfs/dbraw/zinc/35/07/50/656350750.db2.gz BKJPHLHFTYADTK-MRXNPFEDSA-N 1 0 399.304 2.890 20 0 GFADRO O=C(Cc1cc(Br)ccc1F)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000771490152 656350813 /nfs/dbraw/zinc/35/08/13/656350813.db2.gz BKJPHLHFTYADTK-INIZCTEOSA-N 1 0 399.304 2.890 20 0 GFADRO CC[NH+](CC)CCOC(=O)c1ccc(OC)c(I)c1 ZINC000772185566 656374701 /nfs/dbraw/zinc/37/47/01/656374701.db2.gz YJBOOGOYTKQAKE-UHFFFAOYSA-N 1 0 377.222 2.798 20 0 GFADRO CC(C)[C@H](CCc1ccc(Cl)cc1)[NH2+]CCS(=O)(=O)N1CCOCC1 ZINC000772945556 656395100 /nfs/dbraw/zinc/39/51/00/656395100.db2.gz HGQADMLVXWUDQM-SFHVURJKSA-N 1 0 388.961 2.549 20 0 GFADRO COc1ccc([C@H](C)[NH2+]CCS(=O)(=O)CC2CC2)cc1Br ZINC000773064398 656398229 /nfs/dbraw/zinc/39/82/29/656398229.db2.gz GXPVDULTQIINCG-NSHDSACASA-N 1 0 376.316 2.933 20 0 GFADRO COc1ccc(CC[C@H](C)[NH2+]C[C@H](O)CS(=O)(=O)c2cccs2)cc1 ZINC000773091834 656399353 /nfs/dbraw/zinc/39/93/53/656399353.db2.gz KPAXAOLCJRMBSG-HOCLYGCPSA-N 1 0 383.535 2.502 20 0 GFADRO O=c1oc2cc(Br)c(F)cc2n1CN1CC[C@H]([C@@H]2CCOC2)C1 ZINC000773320074 656411874 /nfs/dbraw/zinc/41/18/74/656411874.db2.gz CQTFGGPIGXZWLI-WDEREUQCSA-N 1 0 385.233 2.812 20 0 GFADRO CC[N@H+](CCC1CCN(S(=O)(=O)c2ncn(C)c2Cl)CC1)CC(C)C ZINC000773379246 656442042 /nfs/dbraw/zinc/44/20/42/656442042.db2.gz POMCIDUPUDIJTQ-UHFFFAOYSA-N 1 0 390.981 2.842 20 0 GFADRO O=C(NCc1cnc(Br)cn1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000773506849 656454519 /nfs/dbraw/zinc/45/45/19/656454519.db2.gz XEBPNUDEXZWIQT-OAHLLOKOSA-N 1 0 389.297 2.768 20 0 GFADRO COc1ccc([C@H](CCO)[NH2+]CCS(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000774844826 656562203 /nfs/dbraw/zinc/56/22/03/656562203.db2.gz AJIQKIPJHWOOCA-SFHVURJKSA-N 1 0 383.897 2.836 20 0 GFADRO OC1CC[NH+](CCCNCc2nc3ccc(Br)cc3s2)CC1 ZINC000774978365 656579234 /nfs/dbraw/zinc/57/92/34/656579234.db2.gz OVWOEGALAFRVGN-UHFFFAOYSA-N 1 0 384.343 2.995 20 0 GFADRO O=S(=O)(c1ccc(C[NH2+][C@@H]2CC[C@H]3SCCS[C@@H]23)cc1)N1CCCC1 ZINC000775382223 656634604 /nfs/dbraw/zinc/63/46/04/656634604.db2.gz GNNJQVAXSLEXFX-KURKYZTESA-N 1 0 398.619 2.940 20 0 GFADRO O=C(c1cccc(C[NH2+][C@@H]2CC[C@@H]3SCCS[C@@H]23)c1)N1CCOCC1 ZINC000775381895 656634739 /nfs/dbraw/zinc/63/47/39/656634739.db2.gz DXDMFUZJCLRSFP-SQNIBIBYSA-N 1 0 378.563 2.628 20 0 GFADRO C[C@H]1CCCN1CC[NH2+][C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000775507991 656645194 /nfs/dbraw/zinc/64/51/94/656645194.db2.gz GMBZCUKJQKECMP-SWLSCSKDSA-N 1 0 387.343 2.742 20 0 GFADRO C[NH+](C)CCc1ccc(CNS(=O)(=O)c2cccc3scnc32)cc1 ZINC000841518331 661285141 /nfs/dbraw/zinc/28/51/41/661285141.db2.gz NAXFRCVCZFYKIB-UHFFFAOYSA-N 1 0 375.519 2.879 20 0 GFADRO CCc1cc[n+](C(C(=O)c2nccs2)C(=S)NC[C@@H]2CCCO2)cc1 ZINC000775743034 656677714 /nfs/dbraw/zinc/67/77/14/656677714.db2.gz SQBORDFLSZOXIG-AWEZNQCLSA-O 1 0 376.527 2.973 20 0 GFADRO C[C@H]([NH2+]C[C@H]1CCC[C@]12NC(=O)N(C)C2=O)c1cc(Cl)c(N)c(Cl)c1 ZINC000777125601 656811421 /nfs/dbraw/zinc/81/14/21/656811421.db2.gz LERQQNXTUCAOAW-JHXNIKBNSA-N 1 0 385.295 2.947 20 0 GFADRO C[NH+](C)CCOCCNC(=O)COc1ccc(C2SCCCS2)cc1 ZINC000777782172 656834150 /nfs/dbraw/zinc/83/41/50/656834150.db2.gz VKTBGPDRHQBYRG-UHFFFAOYSA-N 1 0 384.567 2.629 20 0 GFADRO O=C(c1scnc1Br)N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000777871001 656840266 /nfs/dbraw/zinc/84/02/66/656840266.db2.gz PDYHXNFXOJCVQU-LBPRGKRZSA-N 1 0 388.331 2.623 20 0 GFADRO CC(C)(CO)[NH+]1CCN(C(=O)CCSc2nc3ccccc3s2)CC1 ZINC000778943930 656896213 /nfs/dbraw/zinc/89/62/13/656896213.db2.gz FNGQCYKLSIIVDO-UHFFFAOYSA-N 1 0 379.551 2.694 20 0 GFADRO C[C@@H]1CN(Cn2nc(Cc3cccs3)oc2=S)CC[N@@H+]1CC(C)(C)O ZINC000780504057 657009904 /nfs/dbraw/zinc/00/99/04/657009904.db2.gz OFRXSSVNLHKEFJ-CYBMUJFWSA-N 1 0 382.555 2.592 20 0 GFADRO C[NH+](C)CCCNC(=S)N1CCO[C@H](c2ccccc2C(F)(F)F)C1 ZINC000781543674 657062672 /nfs/dbraw/zinc/06/26/72/657062672.db2.gz LGOCCYZXNRVNOK-HNNXBMFYSA-N 1 0 375.460 2.905 20 0 GFADRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1Cc1ccccc1I ZINC000783699931 657252715 /nfs/dbraw/zinc/25/27/15/657252715.db2.gz BCJRMOWKBQKELO-CYBMUJFWSA-N 1 0 388.293 2.568 20 0 GFADRO C[C@@H]1CCC[N@@H+]1CCNC(=O)[C@H]1CCN(c2cc(Cl)ccc2Cl)C1=O ZINC000783918223 657272854 /nfs/dbraw/zinc/27/28/54/657272854.db2.gz GHDJZIUJGYSQOP-TZMCWYRMSA-N 1 0 384.307 2.947 20 0 GFADRO Clc1ccc(-n2cc(CNC[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)nn2)cc1Cl ZINC000784534872 657315563 /nfs/dbraw/zinc/31/55/63/657315563.db2.gz QPRUXCFHYQFALP-HUUCEWRRSA-N 1 0 382.295 2.527 20 0 GFADRO CSc1nc2ccc(NC(=O)C(=O)N(C)CCCC[NH+](C)C)cc2s1 ZINC000784896796 657330546 /nfs/dbraw/zinc/33/05/46/657330546.db2.gz QKRXHZJFWFXSIQ-UHFFFAOYSA-N 1 0 380.539 2.757 20 0 GFADRO COc1cc(OC)cc(N2CC[C@H]([NH2+]Cc3cc(Br)nn3C)C2)c1 ZINC000785482532 657367856 /nfs/dbraw/zinc/36/78/56/657367856.db2.gz NUWBQKRSZSHAFM-LBPRGKRZSA-N 1 0 395.301 2.568 20 0 GFADRO CC[NH+](CC)CCOC(=O)c1ccnc(Cl)c1I ZINC000786891620 657483000 /nfs/dbraw/zinc/48/30/00/657483000.db2.gz VAXAICOBVYUKPC-UHFFFAOYSA-N 1 0 382.629 2.838 20 0 GFADRO CCc1ccc([C@@H](CNC(=O)c2ncc(Br)cn2)[NH+](C)C)cc1 ZINC000786997652 657503152 /nfs/dbraw/zinc/50/31/52/657503152.db2.gz FOYRUVRRYJNTPV-OAHLLOKOSA-N 1 0 377.286 2.834 20 0 GFADRO COc1cc(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cnc1Br ZINC000788233034 657679860 /nfs/dbraw/zinc/67/98/60/657679860.db2.gz OSCCYXHEJSRDME-WFASDCNBSA-N 1 0 394.313 2.942 20 0 GFADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@H](O)c1ccc(Cl)cc1 ZINC000788503042 657732681 /nfs/dbraw/zinc/73/26/81/657732681.db2.gz CCACLBPRUFNFNG-ABAIWWIYSA-N 1 0 385.689 2.976 20 0 GFADRO CCN(CCC[NH+](CC)CC)C(=O)c1sccc1S(=O)(=O)C(F)F ZINC000788538662 657741404 /nfs/dbraw/zinc/74/14/04/657741404.db2.gz HOOIGGJXEIEETI-UHFFFAOYSA-N 1 0 382.498 2.938 20 0 GFADRO CC[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2sc(C(=O)OC)c(Cl)c2C)C1 ZINC000788611309 657752304 /nfs/dbraw/zinc/75/23/04/657752304.db2.gz LAMXBAZUYOKKDX-NSHDSACASA-N 1 0 394.946 2.507 20 0 GFADRO CCC[N@H+](CC)CCNS(=O)(=O)c1sc(C(=O)OC)c(Cl)c1C ZINC000788640463 657759667 /nfs/dbraw/zinc/75/96/67/657759667.db2.gz IJBNVPVWZHDFDC-UHFFFAOYSA-N 1 0 382.935 2.507 20 0 GFADRO C[NH+](C)C1(CNC(=O)Cc2cc(C(F)(F)F)cc(Cl)n2)CCOCC1 ZINC000788661379 657765821 /nfs/dbraw/zinc/76/58/21/657765821.db2.gz LKCVXLGCTSQOFF-UHFFFAOYSA-N 1 0 379.810 2.523 20 0 GFADRO C[C@H]([NH2+]CC(=O)Nc1ccc(I)cc1)c1cc[nH]c(=O)c1 ZINC000788814973 657787243 /nfs/dbraw/zinc/78/72/43/657787243.db2.gz BLQIEGZEFILPCX-JTQLQIEISA-N 1 0 397.216 2.681 20 0 GFADRO CC(C)Sc1cc(Br)ccc1C[NH2+]C[C@@H]1CC(C(N)=O)=NO1 ZINC000789559742 657864674 /nfs/dbraw/zinc/86/46/74/657864674.db2.gz BBZJBWPCVXRFAM-LBPRGKRZSA-N 1 0 386.315 2.669 20 0 GFADRO COc1nc(Br)ccc1NC(=O)CC1([NH+]2CCOCC2)CCCC1 ZINC000789699662 657884254 /nfs/dbraw/zinc/88/42/54/657884254.db2.gz ZZAVMXPUUYGMGY-UHFFFAOYSA-N 1 0 398.301 2.826 20 0 GFADRO Cc1ccc(S(=O)(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)c(Cl)n1 ZINC000790049203 657920598 /nfs/dbraw/zinc/92/05/98/657920598.db2.gz TZAOEBFWIYMTAT-CZUORRHYSA-N 1 0 379.913 2.842 20 0 GFADRO O=C(C[NH2+]Cc1cccc(I)c1)N1CCc2ccccc21 ZINC000790534581 657996833 /nfs/dbraw/zinc/99/68/33/657996833.db2.gz ZHHMBMKTPNFUHO-UHFFFAOYSA-N 1 0 392.240 2.970 20 0 GFADRO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2C(=O)Cn1cc(Br)cn1 ZINC000791986072 658215743 /nfs/dbraw/zinc/21/57/43/658215743.db2.gz JVLDIDKZIUPYEX-RDJZCZTQSA-N 1 0 389.297 2.789 20 0 GFADRO C[C@H](CNC(=O)NCCCCn1cc(Br)cn1)[NH+]1CCCCC1 ZINC000792045351 658225615 /nfs/dbraw/zinc/22/56/15/658225615.db2.gz SDXGLCGFMGZSCA-CQSZACIVSA-N 1 0 386.338 2.599 20 0 GFADRO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1CNc1cc[nH+]c(C)c1Cl ZINC000792689607 658310898 /nfs/dbraw/zinc/31/08/98/658310898.db2.gz UYSZBKXNRCLSJT-NSHDSACASA-N 1 0 389.308 2.595 20 0 GFADRO O=C1OCCN1CCC[NH2+]Cc1c(F)ccc(I)c1F ZINC000792955228 658334079 /nfs/dbraw/zinc/33/40/79/658334079.db2.gz DGVQYNKPCUMLTH-UHFFFAOYSA-N 1 0 396.175 2.501 20 0 GFADRO CC(C)(C)OC(=O)NCC[C@H](O)C[NH2+]Cc1ccc(F)cc1Br ZINC000792958979 658335357 /nfs/dbraw/zinc/33/53/57/658335357.db2.gz KQGFMXVEGOYHJC-ZDUSSCGKSA-N 1 0 391.281 2.954 20 0 GFADRO C[C@H]1CN(C(=S)NCC[NH+](C)C)C[C@H](c2cccc(C(F)(F)F)c2)O1 ZINC000793288890 658381166 /nfs/dbraw/zinc/38/11/66/658381166.db2.gz RPZSEOLVLXEOHQ-SWLSCSKDSA-N 1 0 375.460 2.903 20 0 GFADRO COc1c[nH+]ccc1N1CCN(C(=O)/C=C\c2ccc(Br)o2)CC1 ZINC000794339015 658518877 /nfs/dbraw/zinc/51/88/77/658518877.db2.gz KLTDFDZBTIIMKA-HYXAFXHYSA-N 1 0 392.253 2.808 20 0 GFADRO C[C@@H](NCC[N@@H+]1CCC[C@@H]1C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000794804257 658616624 /nfs/dbraw/zinc/61/66/24/658616624.db2.gz UILBWLLUTSABQZ-WDEREUQCSA-N 1 0 380.341 2.776 20 0 GFADRO C[C@H]1CN(C(=S)NCCCCC(F)(F)F)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000794981755 658644722 /nfs/dbraw/zinc/64/47/22/658644722.db2.gz FVTCBPUYEDVYFU-LSDHHAIUSA-N 1 0 380.524 2.551 20 0 GFADRO C[NH+]1CCC(CNC(=S)N2CCOc3c(Br)cccc3C2)CC1 ZINC000794995116 658646944 /nfs/dbraw/zinc/64/69/44/658646944.db2.gz LNMYCENXJVHPPB-UHFFFAOYSA-N 1 0 398.370 2.860 20 0 GFADRO O=S(=O)(N1CCC(Nc2cc[nH+]c3c(O)cccc23)CC1)C(F)(F)F ZINC000795110621 658675442 /nfs/dbraw/zinc/67/54/42/658675442.db2.gz ICXVYLOAJGMWDP-UHFFFAOYSA-N 1 0 375.372 2.666 20 0 GFADRO CCCN(CC[NH+]1CCCC1)S(=O)(=O)c1ccc(Cl)c(C(=O)OC)c1 ZINC000796091632 658889457 /nfs/dbraw/zinc/88/94/57/658889457.db2.gz BNUAKILVHGDEHJ-UHFFFAOYSA-N 1 0 388.917 2.623 20 0 GFADRO COC(=O)[C@]1(C(F)(F)F)CC[N@H+](C[C@H](O)c2ccc(Br)cc2)C1 ZINC000796290617 658911178 /nfs/dbraw/zinc/91/11/78/658911178.db2.gz BCJSNOQZXSWBGC-JSGCOSHPSA-N 1 0 396.203 2.910 20 0 GFADRO COCCC(=O)N1CCC([NH2+]Cc2c(Cl)nc3cc(Cl)ccn32)CC1 ZINC000796320352 658912569 /nfs/dbraw/zinc/91/25/69/658912569.db2.gz OCVFYECFIGXTLV-UHFFFAOYSA-N 1 0 385.295 2.758 20 0 GFADRO OC[C@H]([NH2+]CCOc1c(Br)cccc1Br)C1CC1 ZINC000796448738 658918010 /nfs/dbraw/zinc/91/80/10/658918010.db2.gz HKTNLPPYJTZRFH-LBPRGKRZSA-N 1 0 379.092 2.951 20 0 GFADRO CC(C)S(=O)(=O)CCC[NH2+][C@H]1[C@H](C)CCN(C(=O)OC(C)(C)C)[C@H]1C ZINC000796652793 658929216 /nfs/dbraw/zinc/92/92/16/658929216.db2.gz NLIPVCXQBAIIQQ-PMPSAXMXSA-N 1 0 376.563 2.823 20 0 GFADRO CC[NH+](CC)CC[C@H](CO)NC(=O)C[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000798268174 659090907 /nfs/dbraw/zinc/09/09/07/659090907.db2.gz QYNZVPCIGHZGSF-CVEARBPZSA-N 1 0 377.312 2.626 20 0 GFADRO CC(C)[C@@H](C(=O)OCc1cc(Cl)cc(S(N)(=O)=O)c1)[NH+]1CCCCC1 ZINC000798623951 659128338 /nfs/dbraw/zinc/12/83/38/659128338.db2.gz YAHXEDIYBAQCGZ-INIZCTEOSA-N 1 0 388.917 2.541 20 0 GFADRO CC(C)(C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccccc1Br ZINC000798939701 659158104 /nfs/dbraw/zinc/15/81/04/659158104.db2.gz SVWOSKCEAUBLIO-UONOGXRCSA-N 1 0 381.314 2.706 20 0 GFADRO O=C(NC[C@H](O)c1cccc(Br)c1)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000799980545 659253364 /nfs/dbraw/zinc/25/33/64/659253364.db2.gz OQTGUQUKWKCHLM-IRXDYDNUSA-N 1 0 396.329 2.799 20 0 GFADRO Fc1ccc(Br)c(F)c1C[NH2+]C[C@H]1COC2(CCOCC2)O1 ZINC000800259206 659296331 /nfs/dbraw/zinc/29/63/31/659296331.db2.gz LOCJRQNLVFYIOK-JTQLQIEISA-N 1 0 378.213 2.739 20 0 GFADRO C[C@@H]([NH2+]C[C@H](O)c1cccc(Br)c1)c1ccc(-n2cnnn2)cc1 ZINC000800495524 659313013 /nfs/dbraw/zinc/31/30/13/659313013.db2.gz CODZLDOWHNRXBN-PXAZEXFGSA-N 1 0 388.269 2.809 20 0 GFADRO O=S(=O)(NCC[NH2+]Cc1ccc(Cl)nc1)c1ccc(F)cc1Cl ZINC000800894786 659343995 /nfs/dbraw/zinc/34/39/95/659343995.db2.gz KLRQAYOOAWHVAZ-UHFFFAOYSA-N 1 0 378.256 2.596 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2cc3c(cc2Cl)CCC3=O)C[C@H]1C ZINC000800917297 659348242 /nfs/dbraw/zinc/34/82/42/659348242.db2.gz SMLOHKYCMXGKSS-TZMCWYRMSA-N 1 0 384.929 2.962 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2cc3c(cc2Cl)CCC3=O)[C@H](C)C1 ZINC000800917965 659348783 /nfs/dbraw/zinc/34/87/83/659348783.db2.gz VESUWYVCZMXNLZ-WBMJQRKESA-N 1 0 384.929 2.820 20 0 GFADRO Cc1nn(C)c(Br)c1C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000800940539 659355350 /nfs/dbraw/zinc/35/53/50/659355350.db2.gz TURVXEAYGRJZGK-SWLSCSKDSA-N 1 0 391.313 2.741 20 0 GFADRO O=C(COc1ccccc1)N1CC[C@H]([NH2+][C@@H]2CC[C@H]3SCCS[C@H]23)C1 ZINC000800994410 659362584 /nfs/dbraw/zinc/36/25/84/659362584.db2.gz VDPLGBWUGKRTOE-KNIMUDFMSA-N 1 0 378.563 2.636 20 0 GFADRO Cc1nn(C)c(Br)c1C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000801098419 659368164 /nfs/dbraw/zinc/36/81/64/659368164.db2.gz FDERZWAUWPOBPC-DZGCQCFKSA-N 1 0 377.286 2.666 20 0 GFADRO CC(C)S(=O)(=O)CCC[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)CC1(C)C ZINC000801585367 659405787 /nfs/dbraw/zinc/40/57/87/659405787.db2.gz MGLHPHZLBPEQFA-OAHLLOKOSA-N 1 0 376.563 2.825 20 0 GFADRO C[C@@H](C[NH+]1CCCCC1)NC(=O)NC[C@@H](O)c1cccc(Br)c1 ZINC000801754232 659422804 /nfs/dbraw/zinc/42/28/04/659422804.db2.gz BHUAESTZZCRGCR-XJKSGUPXSA-N 1 0 384.318 2.656 20 0 GFADRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)NC[C@@H](O)c2cccc(Br)c2)C1 ZINC000801758081 659424631 /nfs/dbraw/zinc/42/46/31/659424631.db2.gz IBNSRIUJGONZIZ-HRCADAONSA-N 1 0 384.318 2.655 20 0 GFADRO O=C1c2cc(Br)ccc2CN1CN1CCC[C@H]1C[NH+]1CCCC1 ZINC000802731198 659499281 /nfs/dbraw/zinc/49/92/81/659499281.db2.gz INMFJVDIFBEKIM-INIZCTEOSA-N 1 0 378.314 2.923 20 0 GFADRO Cc1cc(Br)c(C(=O)OCCCN2CC[NH+](C(C)C)CC2)cc1N ZINC000803852301 659609945 /nfs/dbraw/zinc/60/99/45/659609945.db2.gz RHHGXTNMVGMVIJ-UHFFFAOYSA-N 1 0 398.345 2.913 20 0 GFADRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)[C@@H]1Cc2cc(Br)ccc2O1 ZINC000804527444 659653046 /nfs/dbraw/zinc/65/30/46/659653046.db2.gz PPFXKMBEZDBQKA-PVUWLOKVSA-N 1 0 379.298 2.838 20 0 GFADRO Cc1nc(Cl)ccc1S(=O)(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000804946959 659701634 /nfs/dbraw/zinc/70/16/34/659701634.db2.gz VLIZWDBQEDWCCG-UHFFFAOYSA-N 1 0 379.913 2.770 20 0 GFADRO CC(C)[NH+]1CCN(c2ccc(C(=O)NCC(F)(F)Br)cc2)CC1 ZINC000805243116 659758405 /nfs/dbraw/zinc/75/84/05/659758405.db2.gz IDIAVLQVDRDXKH-UHFFFAOYSA-N 1 0 390.272 2.935 20 0 GFADRO O=S(=O)(C(F)F)N1CCC(C[NH2+][C@H]2CCc3nc(Cl)ccc32)CC1 ZINC000806147494 659826257 /nfs/dbraw/zinc/82/62/57/659826257.db2.gz XUTHAJDCQHMBLK-LBPRGKRZSA-N 1 0 379.860 2.576 20 0 GFADRO CSCC[C@H]([NH2+][C@@H](C)c1ccc(S(=O)(=O)C(F)F)cc1)C(=O)N(C)C ZINC000806661632 659839218 /nfs/dbraw/zinc/83/92/18/659839218.db2.gz AOFQUCXZZUEFRP-FZMZJTMJSA-N 1 0 394.509 2.543 20 0 GFADRO Cc1cc(NC(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c(F)cc1Br ZINC000806812490 659842158 /nfs/dbraw/zinc/84/21/58/659842158.db2.gz HXSQURHNMVJCTF-VXGBXAGGSA-N 1 0 386.265 2.881 20 0 GFADRO CSCC[C@H](C)NC(=O)C(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000807052364 659847327 /nfs/dbraw/zinc/84/73/27/659847327.db2.gz GKSSATYCDQESTN-DZKIICNBSA-N 1 0 383.583 2.505 20 0 GFADRO CCS(=O)(=O)N1CCC([C@H](C)[N@H+](C)C[C@H](O)c2cccc(Cl)c2)CC1 ZINC000808775696 659905297 /nfs/dbraw/zinc/90/52/97/659905297.db2.gz HQXALBFOJQHQJT-KSSFIOAISA-N 1 0 388.961 2.755 20 0 GFADRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]C[C@H](O)c3ccc(F)c(Br)c3)[C@H]2C1 ZINC000808783863 659906302 /nfs/dbraw/zinc/90/63/02/659906302.db2.gz KMUXMPBZKWEOMQ-USJZOSNVSA-N 1 0 399.304 2.858 20 0 GFADRO C[C@H]1C[C@@H](N2CCOCC2)C[N@@H+]1Cc1ccccc1I ZINC000809700666 659936419 /nfs/dbraw/zinc/93/64/19/659936419.db2.gz LQGYMCHKUSNLRW-DZGCQCFKSA-N 1 0 386.277 2.586 20 0 GFADRO CC[NH+](CC)CCS(=O)(=O)N[C@@H](C)[C@@H](O)c1c(Cl)cccc1Cl ZINC000810055295 659958246 /nfs/dbraw/zinc/95/82/46/659958246.db2.gz JVHRDRZPNMXYHM-XHDPSFHLSA-N 1 0 383.341 2.677 20 0 GFADRO CC(C)[C@](C)(CO)[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000810077527 659959464 /nfs/dbraw/zinc/95/94/64/659959464.db2.gz XODZFOVYUFVVJQ-DOMZBBRYSA-N 1 0 380.710 2.839 20 0 GFADRO CC[NH+](CC)CCN(Cc1ccccc1)C(=O)c1c(Br)nnn1C ZINC000811894688 660017273 /nfs/dbraw/zinc/01/72/73/660017273.db2.gz YKNBZTWKHGGZGJ-UHFFFAOYSA-N 1 0 394.317 2.562 20 0 GFADRO COc1ccc(Br)c2[nH]c(C(=O)N3C[C@@H]4CC[N@H+](C)C[C@@H]4C3)cc21 ZINC000812327224 660023995 /nfs/dbraw/zinc/02/39/95/660023995.db2.gz GQCZPONKWVZPOP-NWDGAFQWSA-N 1 0 392.297 2.963 20 0 GFADRO C[C@H](CNS(=O)(=O)CCc1ccccc1Br)[NH+]1CCCCC1 ZINC000812495495 660027785 /nfs/dbraw/zinc/02/77/85/660027785.db2.gz QAUSARRDOVMSQY-CQSZACIVSA-N 1 0 389.359 2.785 20 0 GFADRO O=C(OCCn1cnc(Br)n1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000813205052 660047850 /nfs/dbraw/zinc/04/78/50/660047850.db2.gz JPAGQQSUXMNRFB-UHFFFAOYSA-N 1 0 393.285 2.884 20 0 GFADRO C[N@H+](CCOc1ccc(S(N)(=O)=O)cc1)[C@@H]1CCc2cc(Cl)ccc21 ZINC000814649769 660092924 /nfs/dbraw/zinc/09/29/24/660092924.db2.gz BMVZOHCINBRGEL-GOSISDBHSA-N 1 0 380.897 2.986 20 0 GFADRO CCOC(=O)c1nc2ccc(OS(=O)(=O)CC[NH+](CC)CC)cc2s1 ZINC000815048467 660107220 /nfs/dbraw/zinc/10/72/20/660107220.db2.gz MGIZZGDTMJVPPU-UHFFFAOYSA-N 1 0 386.495 2.523 20 0 GFADRO C[C@](O)(C[N@@H+]1CCC[C@H](CC(N)=O)C1)c1ccc(Br)cc1Cl ZINC000815056045 660107801 /nfs/dbraw/zinc/10/78/01/660107801.db2.gz ZNGZCDAEGJXJTN-BZNIZROVSA-N 1 0 389.721 2.897 20 0 GFADRO C[C@@](O)(C[NH+]1CCC(OCCO)CC1)c1ccc(Br)cc1Cl ZINC000815076031 660109789 /nfs/dbraw/zinc/10/97/89/660109789.db2.gz UYNSQFUIOZKQIY-MRXNPFEDSA-N 1 0 392.721 2.783 20 0 GFADRO CS[C@@H]1CN(C[C@@](C)(O)c2ccc(Br)cc2F)C[C@H]1[NH+](C)C ZINC000815079040 660110117 /nfs/dbraw/zinc/11/01/17/660110117.db2.gz LKWPNBPADUZMAQ-BZUAXINKSA-N 1 0 391.350 2.773 20 0 GFADRO C[C@](O)(C[NH2+][C@H]1CCCC[C@@H]1C(N)=O)c1ccc(Br)cc1Cl ZINC000815089269 660111033 /nfs/dbraw/zinc/11/10/33/660111033.db2.gz BTYIVBCTWWWPGV-PJODQICGSA-N 1 0 389.721 2.944 20 0 GFADRO C[C@](O)(C[NH2+][C@@H]1CCCC[C@H]1C(N)=O)c1ccc(Br)cc1Cl ZINC000815089273 660111233 /nfs/dbraw/zinc/11/12/33/660111233.db2.gz BTYIVBCTWWWPGV-XFJVYGCCSA-N 1 0 389.721 2.944 20 0 GFADRO CCO[C@@H]1COCC[C@@H]1[NH2+]C[C@](C)(O)c1ccc(Br)cc1F ZINC000815095183 660111799 /nfs/dbraw/zinc/11/17/99/660111799.db2.gz NKDRBDWOMQJSBU-XHSDSOJGSA-N 1 0 376.266 2.579 20 0 GFADRO CO[C@@H]1C[N@H+](C[C@@](C)(O)c2ccc(Br)cc2Cl)C[C@@H]1OC ZINC000815102783 660112417 /nfs/dbraw/zinc/11/24/17/660112417.db2.gz REZFKTMHHLWFSN-QLFBSQMISA-N 1 0 378.694 2.656 20 0 GFADRO C[C@@](O)(C[N@@H+]1CC[C@@H](CC(N)=O)C1)c1ccc(Br)cc1Cl ZINC000815120836 660113791 /nfs/dbraw/zinc/11/37/91/660113791.db2.gz WGXUUDZIONXFPS-ZUZCIYMTSA-N 1 0 375.694 2.507 20 0 GFADRO CN(C)C(=O)OC1CC[NH+](C[C@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000815189151 660115832 /nfs/dbraw/zinc/11/58/32/660115832.db2.gz HQDNUCAKZBXCKD-ZDUSSCGKSA-N 1 0 391.295 2.896 20 0 GFADRO CCCS(=O)(=O)CC[NH2+]C1(Cc2ccc(F)cc2Cl)CCOCC1 ZINC000815219817 660117112 /nfs/dbraw/zinc/11/71/12/660117112.db2.gz BWGSUWWYHZGSMM-UHFFFAOYSA-N 1 0 377.909 2.985 20 0 GFADRO C[NH+]1CCC([C@H]2CCN(C(=O)c3cn4c(Br)cnc4s3)C2)CC1 ZINC000815874181 660133751 /nfs/dbraw/zinc/13/37/51/660133751.db2.gz CDFWNPLSYNSDGP-LBPRGKRZSA-N 1 0 397.342 2.962 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)NCCc3ccc(Br)cc3F)C[C@H]21 ZINC000841794859 661313611 /nfs/dbraw/zinc/31/36/11/661313611.db2.gz LJMNFPOQAHVRHB-XNRPHZJLSA-N 1 0 384.293 2.900 20 0 GFADRO CN(C)C(=O)c1ccccc1C[NH2+]C[C@H](O)c1cccc(Br)c1 ZINC000841882261 661317099 /nfs/dbraw/zinc/31/70/99/661317099.db2.gz HKVOFYAHPMFTED-KRWDZBQOSA-N 1 0 377.282 2.974 20 0 GFADRO O=C1C[C@@H](c2nc([C@@H]3CCC[NH2+]C3)no2)CN1c1cccc(Br)c1 ZINC000842666120 661348204 /nfs/dbraw/zinc/34/82/04/661348204.db2.gz WDLUOJYQUMNZOG-VXGBXAGGSA-N 1 0 391.269 2.820 20 0 GFADRO COC(=O)c1cc(S(=O)(=O)N2CCC[C@H](C)[C@H]2C[NH3+])c(Cl)cc1Cl ZINC000842723166 661351235 /nfs/dbraw/zinc/35/12/35/661351235.db2.gz ZMEXTUIBXHSWMO-TVQRCGJNSA-N 1 0 395.308 2.528 20 0 GFADRO CCN(OC)C(=O)C[NH2+]Cc1ccc(OC(F)(F)F)c(Br)c1 ZINC000842770069 661353259 /nfs/dbraw/zinc/35/32/59/661353259.db2.gz YICZAQJHFLZIEN-UHFFFAOYSA-N 1 0 385.180 2.847 20 0 GFADRO [NH3+]C1CC2(C1)CC(NS(=O)(=O)c1ccc(Br)c(Cl)c1)C2 ZINC000842797088 661355028 /nfs/dbraw/zinc/35/50/28/661355028.db2.gz IELCBOSPAGALNS-UHFFFAOYSA-N 1 0 379.707 2.651 20 0 GFADRO COC(=O)c1cc(S(=O)(=O)N2CCC[C@H](CC[NH3+])C2)c(Cl)cc1Cl ZINC000842839056 661356825 /nfs/dbraw/zinc/35/68/25/661356825.db2.gz XOJXPKGTBAUUTB-SNVBAGLBSA-N 1 0 395.308 2.530 20 0 GFADRO [NH3+]CCCN(CC1CCCC1)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F ZINC000842860730 661357521 /nfs/dbraw/zinc/35/75/21/661357521.db2.gz XAIMFWWDFUCANR-UHFFFAOYSA-N 1 0 386.386 2.912 20 0 GFADRO COc1ccc2nc(Cl)ccc2c1S(=O)(=O)N1CCCC[C@H]1CC[NH3+] ZINC000842860677 661357562 /nfs/dbraw/zinc/35/75/62/661357562.db2.gz VPLPUNJWMNOJLB-LBPRGKRZSA-N 1 0 383.901 2.789 20 0 GFADRO [NH3+]CCCCCCNC(=O)C(=O)Nc1cc(Cl)ccc1Br ZINC000843051612 661365254 /nfs/dbraw/zinc/36/52/54/661365254.db2.gz IBBCDTZYSTUZBL-UHFFFAOYSA-N 1 0 376.682 2.676 20 0 GFADRO [NH3+]CCCCCCNC(=O)C(=O)Nc1cc(Cl)ccc1OC(F)(F)F ZINC000843053001 661365598 /nfs/dbraw/zinc/36/55/98/661365598.db2.gz FITJVHSBXMGDLU-UHFFFAOYSA-N 1 0 381.782 2.812 20 0 GFADRO Cc1cccc(OC[C@@H](O)C[NH2+]C[C@@H](O)c2cccc(Br)c2)c1 ZINC000843068428 661366165 /nfs/dbraw/zinc/36/61/65/661366165.db2.gz JKXODFIZOQOMQQ-FUHWJXTLSA-N 1 0 380.282 2.820 20 0 GFADRO CC(C)(C)OC(=O)NCC[C@@H](O)C[NH2+]C[C@H](O)c1c(Cl)cccc1Cl ZINC000843084588 661367026 /nfs/dbraw/zinc/36/70/26/661367026.db2.gz QYMCCIMFNMQTRK-RISCZKNCSA-N 1 0 393.311 2.892 20 0 GFADRO Cc1cccc([C@@H](O)C[NH2+]C[C@@H](O)COc2cc(F)cc(Br)c2)c1 ZINC000843089476 661367126 /nfs/dbraw/zinc/36/71/26/661367126.db2.gz SJELRNZNZSXDSM-AEFFLSMTSA-N 1 0 398.272 2.960 20 0 GFADRO C[C@@](O)(C[NH2+]C[C@]1(CCO)CCOC1)c1ccc(Br)cc1Cl ZINC000843102693 661368131 /nfs/dbraw/zinc/36/81/31/661368131.db2.gz YFDQYVHFUHRYOW-CVEARBPZSA-N 1 0 392.721 2.689 20 0 GFADRO OC[C@H](C[C@@H](O)c1ccccc1)[NH2+]C[C@@H](O)c1ccc(Br)cc1 ZINC000843104090 661368285 /nfs/dbraw/zinc/36/82/85/661368285.db2.gz DIUAIRSSHXZCIF-RCCFBDPRSA-N 1 0 380.282 2.557 20 0 GFADRO O[C@H](C[NH2+]C[C@H]1CCC2(CCOCC2)[C@H]1O)c1cccc(Br)c1 ZINC000843112316 661368863 /nfs/dbraw/zinc/36/88/63/661368863.db2.gz GTRSTUJROMZZSD-OIISXLGYSA-N 1 0 384.314 2.640 20 0 GFADRO C[C@](O)(C[NH2+][C@H]1COc2ccccc2[C@H]1O)c1ccc(Br)cc1F ZINC000843116372 661369634 /nfs/dbraw/zinc/36/96/34/661369634.db2.gz NHTJFLIVTDDEBL-JQHSSLGASA-N 1 0 396.256 2.880 20 0 GFADRO CC(C)[C@@H]([NH3+])c1noc(-c2cccn3c(I)cnc23)n1 ZINC000843154718 661371180 /nfs/dbraw/zinc/37/11/80/661371180.db2.gz NONCATBSNBHWGC-SNVBAGLBSA-N 1 0 383.193 2.645 20 0 GFADRO O=S(=O)(Cc1noc([C@H]2CC23CC[NH2+]CC3)n1)Cc1ccc(Cl)cc1 ZINC000843239132 661374510 /nfs/dbraw/zinc/37/45/10/661374510.db2.gz DWBMYPDYFRBPIR-CQSZACIVSA-N 1 0 381.885 2.695 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CN(C(=O)C(C)(C)Sc2ccc(Br)cc2)CCO1 ZINC000843357183 661378552 /nfs/dbraw/zinc/37/85/52/661378552.db2.gz PIXAWRZUEHGQKG-RISCZKNCSA-N 1 0 387.343 2.894 20 0 GFADRO O=C(CO[C@@H]1CCC[NH2+]C1)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 ZINC000843386186 661379031 /nfs/dbraw/zinc/37/90/31/661379031.db2.gz JDSBODPPSHRZBT-CKYFFXLPSA-N 1 0 376.341 2.781 20 0 GFADRO CN(CC1(c2ccc(Br)cc2)CC1)C(=O)CO[C@@H]1CCC[NH2+]C1 ZINC000843444738 661381727 /nfs/dbraw/zinc/38/17/27/661381727.db2.gz TZIADRIRZAVAAK-MRXNPFEDSA-N 1 0 381.314 2.708 20 0 GFADRO C[C@]([NH3+])(C(=O)N1CCc2cc(Cl)nnc2C1)c1ccc(Br)cc1 ZINC000843503375 661383681 /nfs/dbraw/zinc/38/36/81/661383681.db2.gz CZLINFUOMICHPP-MRXNPFEDSA-N 1 0 395.688 2.651 20 0 GFADRO O=C(CO[C@@H]1CCC[NH2+]C1)NCCc1csc(-c2ccc(Cl)cc2)n1 ZINC000844204851 661409252 /nfs/dbraw/zinc/40/92/52/661409252.db2.gz VRANAUQMHXIQFN-MRXNPFEDSA-N 1 0 379.913 2.891 20 0 GFADRO CC(C)(C)OC(=O)[C@H]1CC(=O)N(C2CC[NH+](C[C@@H]3CC3(Cl)Cl)CC2)C1 ZINC000844361959 661417005 /nfs/dbraw/zinc/41/70/05/661417005.db2.gz VWVPLBGDFNUJPN-STQMWFEESA-N 1 0 391.339 2.835 20 0 GFADRO C[NH+](C)C[C@H]1CCN(CN2CC(c3ccc(Br)cc3)=CC2=O)C1 ZINC000844693926 661434344 /nfs/dbraw/zinc/43/43/44/661434344.db2.gz DUXZXGKIQFYVNN-CQSZACIVSA-N 1 0 378.314 2.516 20 0 GFADRO O=C(C1SCCCS1)N1CCO[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000844843316 661444617 /nfs/dbraw/zinc/44/46/17/661444617.db2.gz ZDJXGRQIBMJFJW-IRXDYDNUSA-N 1 0 378.563 2.685 20 0 GFADRO Cc1nn(C)c(Br)c1C(=O)N[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000844962561 661450720 /nfs/dbraw/zinc/45/07/20/661450720.db2.gz CFLVEXYZHAAPHZ-SFHVURJKSA-N 1 0 391.313 2.885 20 0 GFADRO C[NH+](C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(Cl)s1 ZINC000845176761 661459017 /nfs/dbraw/zinc/45/90/17/661459017.db2.gz DKLTXINQRYKKEY-GFCCVEGCSA-N 1 0 375.922 2.863 20 0 GFADRO CN1CC[NH+](CC2CCN(C(=O)c3snc(Cl)c3Cl)CC2)CC1 ZINC000845473253 661472274 /nfs/dbraw/zinc/47/22/74/661472274.db2.gz HKELXSWZUREXRE-UHFFFAOYSA-N 1 0 377.341 2.550 20 0 GFADRO C[C@@H](NC(=O)c1ccc(Br)s1)C(=O)O[C@@H](C)C[NH+]1CCCC1 ZINC000845666670 661486004 /nfs/dbraw/zinc/48/60/04/661486004.db2.gz JIWVTVLFWNQFIZ-WDEREUQCSA-N 1 0 389.315 2.656 20 0 GFADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NCCC[C@H]1CC1(Cl)Cl ZINC000845673578 661487983 /nfs/dbraw/zinc/48/79/83/661487983.db2.gz HJPPUAUUFKGEFR-KBPBESRZSA-N 1 0 378.344 2.855 20 0 GFADRO C[C@@H](NC(=O)c1ccc(Br)s1)C(=O)OC[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000845814827 661498468 /nfs/dbraw/zinc/49/84/68/661498468.db2.gz PDXJZUDYYDFTSB-MXWKQRLJSA-N 1 0 389.315 2.512 20 0 GFADRO C[NH+](C)C[C@H](CNS(=O)(=O)c1ccccc1C=O)c1ccc(Cl)cc1 ZINC000845955205 661509222 /nfs/dbraw/zinc/50/92/22/661509222.db2.gz JZJBAUSASWICGU-INIZCTEOSA-N 1 0 380.897 2.776 20 0 GFADRO CS/C=C\C(=O)N(C)CCN(CC[NH+]1CCCCC1)C(=O)/C=C\SC ZINC000846129562 661534057 /nfs/dbraw/zinc/53/40/57/661534057.db2.gz OUWCKCHKWDMDOY-DUGOVBPYSA-N 1 0 385.599 2.513 20 0 GFADRO [NH3+][C@@H]1CCCO[C@H]1C1CCN(C(=O)NCCC[C@@H]2CC2(Cl)Cl)CC1 ZINC000846208738 661538478 /nfs/dbraw/zinc/53/84/78/661538478.db2.gz KIQGSOGRKVYHCR-KFWWJZLASA-N 1 0 378.344 2.888 20 0 GFADRO [NH3+]CCCCCCN1CCCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000846218021 661538879 /nfs/dbraw/zinc/53/88/79/661538879.db2.gz KMFNYTGCXQIILB-UHFFFAOYSA-N 1 0 379.979 2.617 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(C(=O)Nc3ccc(Br)nc3)C2)C1 ZINC000846305581 661544159 /nfs/dbraw/zinc/54/41/59/661544159.db2.gz BWRXGIUYEFFYFZ-SCRDCRAPSA-N 1 0 383.290 2.594 20 0 GFADRO Cc1cc(NC(=O)N2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)cnc1Br ZINC000846315311 661544820 /nfs/dbraw/zinc/54/48/20/661544820.db2.gz KEFNWQVHIQAMOR-KCQAQPDRSA-N 1 0 397.317 2.903 20 0 GFADRO Cc1cc(NC(=O)N2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)cnc1Br ZINC000846315309 661545023 /nfs/dbraw/zinc/54/50/23/661545023.db2.gz KEFNWQVHIQAMOR-GUTXKFCHSA-N 1 0 397.317 2.903 20 0 GFADRO C[NH+](C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC[C@@]1(C)C[C@@]1(F)Cl ZINC000846398492 661547476 /nfs/dbraw/zinc/54/74/76/661547476.db2.gz HJRULXYABXMRIV-ZLIFDBKOSA-N 1 0 379.904 2.652 20 0 GFADRO O=C(CC[NH+]1CCN(c2ccccn2)CC1)NCCC[C@@H]1CC1(Cl)Cl ZINC000846587194 661557562 /nfs/dbraw/zinc/55/75/62/661557562.db2.gz JEJRFHZCBOARAO-OAHLLOKOSA-N 1 0 385.339 2.684 20 0 GFADRO COCC[NH2+]C1CCN(C(=O)Cc2ccc(Cl)cc2Br)CC1 ZINC000846688154 661561946 /nfs/dbraw/zinc/56/19/46/661561946.db2.gz SYJSMESOJZMJLV-UHFFFAOYSA-N 1 0 389.721 2.872 20 0 GFADRO CCN1C[C@@H](C[NH2+][C@@](C)(CC(=O)OC)c2ccc(Br)cc2)OC1=O ZINC000846898280 661569595 /nfs/dbraw/zinc/56/95/95/661569595.db2.gz CZNUCZBAVKEXKH-PBHICJAKSA-N 1 0 399.285 2.658 20 0 GFADRO CC1(C)C(=O)N[C@H]1C1CC[NH+](C[C@@H](O)c2ccccc2Br)CC1 ZINC000846930939 661571104 /nfs/dbraw/zinc/57/11/04/661571104.db2.gz WDOGXTAWZSNYLG-CVEARBPZSA-N 1 0 381.314 2.719 20 0 GFADRO Cc1ccc(NC(=O)N2CCC[C@H]([NH+]3CCOCC3)CC2)c(Br)n1 ZINC000847158528 661577811 /nfs/dbraw/zinc/57/78/11/661577811.db2.gz ODDSQNLUUGHLSS-AWEZNQCLSA-N 1 0 397.317 2.871 20 0 GFADRO O=C(Nc1ccnc(Br)c1)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000847192122 661580656 /nfs/dbraw/zinc/58/06/56/661580656.db2.gz JFSSXLMNKXRDTB-AWEZNQCLSA-N 1 0 383.290 2.563 20 0 GFADRO C[C@@H]1C[N@@H+](CCCCNC(=O)c2nc(F)ccc2Br)C[C@H](C)O1 ZINC000847553091 661597007 /nfs/dbraw/zinc/59/70/07/661597007.db2.gz OCXHYDUFLKUWTM-TXEJJXNPSA-N 1 0 388.281 2.602 20 0 GFADRO C[C@@H]1C[NH+](CCCCNC(=O)c2cnc(F)c(Br)c2)C[C@@H](C)O1 ZINC000847552645 661597039 /nfs/dbraw/zinc/59/70/39/661597039.db2.gz GYABZSWPELBGNZ-VXGBXAGGSA-N 1 0 388.281 2.602 20 0 GFADRO C[N@@H+]1CC[C@@H](CCOC(=O)[C@H]2CC(=O)N(c3cccc(Br)c3)C2)C1 ZINC000847824013 661611928 /nfs/dbraw/zinc/61/19/28/661611928.db2.gz JRROQSMJXGCQJH-KBPBESRZSA-N 1 0 395.297 2.687 20 0 GFADRO Cc1c(Br)cccc1CS(=O)(=O)NCC[N@H+]1CCC[C@@H]1C ZINC000848452618 661650038 /nfs/dbraw/zinc/65/00/38/661650038.db2.gz SWKGQPSXNURJBL-LBPRGKRZSA-N 1 0 375.332 2.661 20 0 GFADRO COc1ccc(Br)cc1C[C@H](CO)CNC(=[NH2+])NC1CCCC1 ZINC000849109873 661692387 /nfs/dbraw/zinc/69/23/87/661692387.db2.gz KGNHLYRCJGNUPP-LBPRGKRZSA-N 1 0 384.318 2.665 20 0 GFADRO CC(C)(C)OC(=O)NCCNC(=[NH2+])NCc1sccc1Br ZINC000849111545 661692749 /nfs/dbraw/zinc/69/27/49/661692749.db2.gz SJLCCKGVXLJERP-UHFFFAOYSA-N 1 0 377.308 2.649 20 0 GFADRO O[C@H]1CC[N@H+](Cc2ccc(CNC(=S)NCCc3cccs3)cc2)C1 ZINC000849281869 661702291 /nfs/dbraw/zinc/70/22/91/661702291.db2.gz PWHXLBZFIRPILW-KRWDZBQOSA-N 1 0 375.563 2.522 20 0 GFADRO CCC[NH+]1CCC(N2C(=O)N[C@@H](c3ccccc3Br)C2=O)CC1 ZINC000849352700 661708946 /nfs/dbraw/zinc/70/89/46/661708946.db2.gz PVACPOKNSWZMOU-HNNXBMFYSA-N 1 0 380.286 2.916 20 0 GFADRO Cn1cc([C@H]2C[N@H+](C)CC[C@H]2C(=O)NCc2ccsc2Br)cn1 ZINC000849587139 661734793 /nfs/dbraw/zinc/73/47/93/661734793.db2.gz KVRXFHJDFCFYIG-ZIAGYGMSSA-N 1 0 397.342 2.596 20 0 GFADRO Cc1ncc(Br)cc1NC(=O)[C@@H]1CC[N@@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000849596589 661734862 /nfs/dbraw/zinc/73/48/62/661734862.db2.gz ARQYVMILHNHHCW-HUUCEWRRSA-N 1 0 392.301 2.560 20 0 GFADRO CC(C)(C)OC(=O)Nc1ncc(C[NH2+]CC[S@](=O)CC(F)(F)F)s1 ZINC000850349761 661770999 /nfs/dbraw/zinc/77/09/99/661770999.db2.gz JVZNWKVZXRXIBE-DEOSSOPVSA-N 1 0 387.449 2.891 20 0 GFADRO O=[S@@](CC[NH2+]Cc1cc2c(c(Br)c1)OCO2)CC(F)(F)F ZINC000850349459 661771027 /nfs/dbraw/zinc/77/10/27/661771027.db2.gz FQYPNHJHGKQVON-NRFANRHFSA-N 1 0 388.205 2.578 20 0 GFADRO O=[S@](CC[NH2+]C1CCN(CCc2ccc(F)cc2)CC1)CC(F)(F)F ZINC000850349164 661771034 /nfs/dbraw/zinc/77/10/34/661771034.db2.gz DAFJDHPTQGRWBJ-RUZDIDTESA-N 1 0 380.451 2.733 20 0 GFADRO COc1cc(C[NH2+]CC[S@@](=O)CC(F)(F)F)cc(Br)c1O ZINC000850350180 661771397 /nfs/dbraw/zinc/77/13/97/661771397.db2.gz PIOVVJOYOWLYPH-OAQYLSRUSA-N 1 0 390.221 2.564 20 0 GFADRO O=[S@](CC[NH2+]Cc1cccc(I)c1)CC(F)(F)F ZINC000850350644 661771404 /nfs/dbraw/zinc/77/14/04/661771404.db2.gz UCHDDVZTFHCABU-GOSISDBHSA-N 1 0 391.196 2.692 20 0 GFADRO Ic1ccc2c(c1)[C@H]([NH2+]C[C@H]1CN3CCC[C@H]3CO1)CC2 ZINC000850434016 661775938 /nfs/dbraw/zinc/77/59/38/661775938.db2.gz UAFRRACMFYAHAE-YQQAZPJKSA-N 1 0 398.288 2.731 20 0 GFADRO COC1([C@H](C)[NH2+]CCOc2ccc(S(=O)(=O)C(F)(F)F)cc2)CCC1 ZINC000850447654 661776774 /nfs/dbraw/zinc/77/67/74/661776774.db2.gz ISUVMRBAJHKFPR-LBPRGKRZSA-N 1 0 381.416 2.906 20 0 GFADRO C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1[NH2+]CC[S@@](=O)CC(F)(F)F ZINC000850491957 661778798 /nfs/dbraw/zinc/77/87/98/661778798.db2.gz BJKIPJKVHBNAQL-FUIYZNBFSA-N 1 0 386.480 2.923 20 0 GFADRO CC(C)[C@@H]([NH2+]CCS(=O)(=O)CC(F)(F)F)c1ccc2[nH]c(=O)oc2c1 ZINC000850520190 661780770 /nfs/dbraw/zinc/78/07/70/661780770.db2.gz UDSYYUFBGXBDSL-CYBMUJFWSA-N 1 0 380.388 2.797 20 0 GFADRO C[NH2+]CCN(C)S(=O)(=O)c1cc(Cl)c(Cl)cc1Br ZINC000850587390 661782193 /nfs/dbraw/zinc/78/21/93/661782193.db2.gz YEGQHDQDHLEYNA-UHFFFAOYSA-N 1 0 376.103 2.596 20 0 GFADRO O=S(=O)(N[C@H]1C[NH2+]CCC1(F)F)c1cc(Cl)ccc1OC(F)(F)F ZINC000850587944 661782393 /nfs/dbraw/zinc/78/23/93/661782393.db2.gz ONRHLYIEWHMHIM-JTQLQIEISA-N 1 0 394.749 2.514 20 0 GFADRO Cc1ccc(S(=O)(=O)N2CC[C@H](c3ccc(F)cc3)[C@@H]([NH3+])C2)c(Cl)n1 ZINC000850592157 661783031 /nfs/dbraw/zinc/78/30/31/661783031.db2.gz HSYHSMMNZHWFLJ-CABCVRRESA-N 1 0 383.876 2.688 20 0 GFADRO COCC[NH+]1CCC(OC(=O)c2nn(C(C)(C)C)cc2Br)CC1 ZINC000851115313 661806989 /nfs/dbraw/zinc/80/69/89/661806989.db2.gz SONDPGNSEXWGKJ-UHFFFAOYSA-N 1 0 388.306 2.668 20 0 GFADRO COc1ccc(CCC(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)c(Br)c1 ZINC000851634165 661826979 /nfs/dbraw/zinc/82/69/79/661826979.db2.gz ARRIWWHMJJBKGY-SFHVURJKSA-N 1 0 381.314 2.992 20 0 GFADRO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)NCCSC(F)(F)F)cc1 ZINC000851654898 661827744 /nfs/dbraw/zinc/82/77/44/661827744.db2.gz JFSKUGNHIZIGHX-KBPBESRZSA-N 1 0 377.432 2.693 20 0 GFADRO NC(=O)[C@@](O)(C[N@@H+]1CCC[C@@H]1c1cccc(Br)c1)c1ccccc1 ZINC000851731289 661829598 /nfs/dbraw/zinc/82/95/98/661829598.db2.gz NPOMIRWKCVKMBJ-IEBWSBKVSA-N 1 0 389.293 2.959 20 0 GFADRO COC(CC[N@@H+]1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1)OC ZINC000851825993 661835384 /nfs/dbraw/zinc/83/53/84/661835384.db2.gz XICFFJJOULSAGI-LBPRGKRZSA-N 1 0 386.290 2.504 20 0 GFADRO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCn3ncc(Br)c3C2)C1 ZINC000852004115 661848661 /nfs/dbraw/zinc/84/86/61/661848661.db2.gz DDZPDFQEFMFGAJ-ZDUSSCGKSA-N 1 0 398.349 2.681 20 0 GFADRO Fc1ccc(CC2([NH2+]CCn3cnc(Br)n3)CCOCC2)cc1 ZINC000852088310 661852426 /nfs/dbraw/zinc/85/24/26/661852426.db2.gz IMOIEWXHEQDBIX-UHFFFAOYSA-N 1 0 383.265 2.561 20 0 GFADRO CC(=O)c1nc(CC[N@@H+](C)C[C@H](O)c2cccc(Br)c2)[nH]c1C ZINC000852171629 661855740 /nfs/dbraw/zinc/85/57/40/661855740.db2.gz KIMCOEBWOWVTJO-HNNXBMFYSA-N 1 0 380.286 2.891 20 0 GFADRO Cn1nc(C(F)(F)F)c(C[NH2+][C@@H](C2CC2)C2(CO)CCOCC2)c1Cl ZINC000852283011 661859097 /nfs/dbraw/zinc/85/90/97/661859097.db2.gz AGQWWZVAOWDYFD-LBPRGKRZSA-N 1 0 381.826 2.750 20 0 GFADRO C[C@]1(CCNC(=O)NCC2CC[NH+](C3CCOCC3)CC2)C[C@]1(F)Cl ZINC000852395585 661863215 /nfs/dbraw/zinc/86/32/15/661863215.db2.gz JKJXNPTVKLPWAX-ZWKOTPCHSA-N 1 0 375.916 2.881 20 0 GFADRO Ic1cnnn1C1CC[NH+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC000852532328 661866407 /nfs/dbraw/zinc/86/64/07/661866407.db2.gz HXEVZRYSHWEPRR-UPJWGTAASA-N 1 0 386.281 2.956 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)c2cnn(-c3ccccc3)c2Br)C1 ZINC000852800324 661874720 /nfs/dbraw/zinc/87/47/20/661874720.db2.gz XKTMGOZKHFBGEQ-STQMWFEESA-N 1 0 377.286 2.834 20 0 GFADRO O=C(NC[C@@H](O)c1cc(Cl)cc(Cl)c1)c1cc(C2CC[NH2+]CC2)no1 ZINC000852808162 661874915 /nfs/dbraw/zinc/87/49/15/661874915.db2.gz MEVNAWLEZJCLEV-OAHLLOKOSA-N 1 0 384.263 2.912 20 0 GFADRO CC(C)(C)n1ncc(C(=O)Nc2nc3c(s2)C[C@@H]([NH3+])CC3)c1Br ZINC000852818432 661875217 /nfs/dbraw/zinc/87/52/17/661875217.db2.gz JEQZFYSIZOPOAD-QMMMGPOBSA-N 1 0 398.330 2.925 20 0 GFADRO COc1ccc(CCC(=O)N[C@H]2C[NH2+]CCC2(F)F)c(Br)c1 ZINC000852832818 661875426 /nfs/dbraw/zinc/87/54/26/661875426.db2.gz RLNIIUVOPNWRAJ-ZDUSSCGKSA-N 1 0 377.229 2.504 20 0 GFADRO CCC[C@@H]1C[NH2+]CCN1C(=O)c1cnn(-c2ccccc2)c1Br ZINC000852874719 661876081 /nfs/dbraw/zinc/87/60/81/661876081.db2.gz NPZXYTFMXQPKCQ-CQSZACIVSA-N 1 0 377.286 2.849 20 0 GFADRO [NH3+]CC[C@H]1CCCCN1C(=O)c1cnn(-c2ccccc2)c1Br ZINC000852880013 661876380 /nfs/dbraw/zinc/87/63/80/661876380.db2.gz JFFGYCZXJKKQIH-CYBMUJFWSA-N 1 0 377.286 2.978 20 0 GFADRO S=C(Nc1ccc(Br)cc1)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000853029858 661878995 /nfs/dbraw/zinc/87/89/95/661878995.db2.gz OZWHZNAGOFJFEI-HNNXBMFYSA-N 1 0 384.343 2.989 20 0 GFADRO CN([C@H](C[NH3+])C(F)(F)F)S(=O)(=O)/C=C/c1ccc(Br)cc1 ZINC000853081982 661881689 /nfs/dbraw/zinc/88/16/89/661881689.db2.gz ZAABQJJGPMKFLB-XUIVZRPNSA-N 1 0 387.221 2.571 20 0 GFADRO CC(C)(C)OC(=O)NCC[C@H](O)C[NH2+]C[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC000853117532 661882849 /nfs/dbraw/zinc/88/28/49/661882849.db2.gz WHRGLXXITSBTHP-WFASDCNBSA-N 1 0 393.311 2.892 20 0 GFADRO O[C@H](C[NH2+]CC1SCCS1)COc1cc(F)cc(Br)c1 ZINC000853120311 661882981 /nfs/dbraw/zinc/88/29/81/661882981.db2.gz VTJAQHGBWDFPBS-LLVKDONJSA-N 1 0 382.320 2.724 20 0 GFADRO O[C@H]1CC[N@H+](Cc2ccccc2CNc2ncnc(F)c2Br)C1 ZINC000853474937 661889872 /nfs/dbraw/zinc/88/98/72/661889872.db2.gz UKIFVSGDQOSXAJ-ZDUSSCGKSA-N 1 0 381.249 2.557 20 0 GFADRO O=C(N1CCC[C@@H]([C@@H]2CCCC[N@@H+]2CN2CCSC2=O)C1)C(F)(F)F ZINC000853546143 661891806 /nfs/dbraw/zinc/89/18/06/661891806.db2.gz MAZFMSYFDKUKAB-OLZOCXBDSA-N 1 0 379.448 2.768 20 0 GFADRO C[C@@H](NC(=O)N1CC(O)(c2ccc(Br)cc2)C1)C(C)(C)C[NH+](C)C ZINC000853841659 661903586 /nfs/dbraw/zinc/90/35/86/661903586.db2.gz UGXZYUPAIBOMNU-CYBMUJFWSA-N 1 0 398.345 2.638 20 0 GFADRO CCCOc1ccc(Br)cc1-c1noc(-c2cn(CC[NH3+])nn2)n1 ZINC000854145840 661916513 /nfs/dbraw/zinc/91/65/13/661916513.db2.gz PDDYTTTWBOGWAE-UHFFFAOYSA-N 1 0 393.245 2.505 20 0 GFADRO O=C(NCCC[C@H]1CC1(Cl)Cl)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000854220942 661919316 /nfs/dbraw/zinc/91/93/16/661919316.db2.gz CLYSQDQBEBOYJC-GJZGRUSLSA-N 1 0 378.344 2.857 20 0 GFADRO O=C(NC[C@H]1CCCC[N@H+]1CCO)C(F)(F)c1ccc(Br)cc1 ZINC000854743869 661952621 /nfs/dbraw/zinc/95/26/21/661952621.db2.gz PYRNXALOMCXOHQ-CQSZACIVSA-N 1 0 391.256 2.504 20 0 GFADRO C[N@@H+]1CCC[C@@H](CCNC(=O)[C@]2(C)CC2(Br)Br)C1 ZINC000854912985 661961009 /nfs/dbraw/zinc/96/10/09/661961009.db2.gz LIJWNSCRCWMUHU-JQWIXIFHSA-N 1 0 382.140 2.731 20 0 GFADRO O=C(NCC[S@@](=O)CC(F)(F)F)c1cccc(C[NH+]2CCCCC2)c1 ZINC000855265453 661979121 /nfs/dbraw/zinc/97/91/21/661979121.db2.gz KMBTUHYVXYSZFZ-RUZDIDTESA-N 1 0 376.444 2.713 20 0 GFADRO Cn1c(Cl)cnc1-c1csc(NC(=O)c2ccc(C[NH+](C)C)nc2)n1 ZINC000855331005 661985809 /nfs/dbraw/zinc/98/58/09/661985809.db2.gz ZADASESPHDVZIK-UHFFFAOYSA-N 1 0 376.873 2.906 20 0 GFADRO CC[N@H+](C)Cc1cc(O[C@H]2CCN(C(=O)CSC(F)(F)F)C2)ccn1 ZINC000856636618 662037804 /nfs/dbraw/zinc/03/78/04/662037804.db2.gz BZUSBCQPCMTCDK-AWEZNQCLSA-N 1 0 377.432 2.766 20 0 GFADRO COc1cc(CCC[NH2+]Cc2cc(Br)nn2C)cc(OC)c1O ZINC000856812164 662044986 /nfs/dbraw/zinc/04/49/86/662044986.db2.gz JQPYBJAYCJFUQI-UHFFFAOYSA-N 1 0 384.274 2.628 20 0 GFADRO O=C(NCC[C@H]1CC1(Cl)Cl)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000856847348 662047299 /nfs/dbraw/zinc/04/72/99/662047299.db2.gz NSLHGUPIIUXYOD-JKSUJKDBSA-N 1 0 386.323 2.636 20 0 GFADRO C[N@H+](CCCCNC(=O)N1CC(O)(c2cccc(Br)c2)C1)C1CC1 ZINC000856914556 662051017 /nfs/dbraw/zinc/05/10/17/662051017.db2.gz RCAYILCLMLPTOR-UHFFFAOYSA-N 1 0 396.329 2.536 20 0 GFADRO O=C(OC[C@@H]1CC[N@@H+]1Cc1ccccc1)c1cc(Br)c[nH]c1=O ZINC000857037859 662060232 /nfs/dbraw/zinc/06/02/32/662060232.db2.gz YPNLGGUDTPJQLY-AWEZNQCLSA-N 1 0 377.238 2.981 20 0 GFADRO C[NH+]1CCC2(CCN2C(=O)c2cc(Br)cc3c2OCCO3)CC1 ZINC000857134215 662064867 /nfs/dbraw/zinc/06/48/67/662064867.db2.gz DLGQBWIKXRQUJA-UHFFFAOYSA-N 1 0 381.270 2.531 20 0 GFADRO O=C(N[C@H]1CC[N@@H+](C2CCCCC2)C1)c1cccnc1I ZINC000857322474 662073362 /nfs/dbraw/zinc/07/33/62/662073362.db2.gz BDWPVRAJFHWBMJ-LBPRGKRZSA-N 1 0 399.276 2.823 20 0 GFADRO COc1c[nH+]ccc1N1CCN(C(=O)c2ccc(Cl)c(N)c2Cl)CC1 ZINC000857500646 662081230 /nfs/dbraw/zinc/08/12/30/662081230.db2.gz WQYHUGKGLIUDJL-UHFFFAOYSA-N 1 0 381.263 2.942 20 0 GFADRO C[NH+](C)CCC[C@H]1CN(C(=O)c2ccc(Cl)nc2C(F)(F)F)CCO1 ZINC000857681011 662086701 /nfs/dbraw/zinc/08/67/01/662086701.db2.gz WSIDNXHBITWDTQ-NSHDSACASA-N 1 0 379.810 2.937 20 0 GFADRO O=S(=O)(c1ccccc1)N1CC[C@H]([NH2+][C@@H]2CCc3ccc(Cl)nc32)C1 ZINC000857912175 662094475 /nfs/dbraw/zinc/09/44/75/662094475.db2.gz DHQXVVQFCKEOQX-GOEBONIOSA-N 1 0 377.897 2.775 20 0 GFADRO COc1cccc(N2CC[C@H](C[NH2+]Cc3cn(C)nc3Br)C2)c1 ZINC000858123042 662099619 /nfs/dbraw/zinc/09/96/19/662099619.db2.gz OADHVPNYTQGEJI-CYBMUJFWSA-N 1 0 379.302 2.807 20 0 GFADRO Cc1ccc(C(=O)N2CCC([NH2+]Cc3cn(C)nc3Br)CC2)cc1 ZINC000858124450 662100047 /nfs/dbraw/zinc/10/00/47/662100047.db2.gz KZOMUUGIYSJWIP-UHFFFAOYSA-N 1 0 391.313 2.885 20 0 GFADRO CN1CC[N@H+](C)C[C@H]1CNCc1c(F)ccc(C(F)(F)F)c1Br ZINC000858133643 662100389 /nfs/dbraw/zinc/10/03/89/662100389.db2.gz UADRPVALYCOFBT-SNVBAGLBSA-N 1 0 398.242 2.942 20 0 GFADRO C[C@H](O)c1ncc(C[NH2+][C@@]2(CO)CCc3cc(Br)ccc3C2)s1 ZINC000858240927 662105917 /nfs/dbraw/zinc/10/59/17/662105917.db2.gz UXZBIWWHMUSXLM-GTNSWQLSSA-N 1 0 397.338 2.969 20 0 GFADRO COc1ncc(Br)cc1C[NH2+]C1CCN(C(=O)C(C)(C)C)CC1 ZINC000858248812 662106099 /nfs/dbraw/zinc/10/60/99/662106099.db2.gz CNWNAKWNGJZITQ-UHFFFAOYSA-N 1 0 384.318 2.979 20 0 GFADRO O=C(Nc1ccc(Br)cn1)[C@H]1CCCN(c2cc[nH+]c(CO)c2)C1 ZINC000858354198 662109587 /nfs/dbraw/zinc/10/95/87/662109587.db2.gz HHUJFDIQPXJCSQ-LBPRGKRZSA-N 1 0 391.269 2.587 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1cc(Br)c2ncc(C=O)n2c1 ZINC000858499671 662113616 /nfs/dbraw/zinc/11/36/16/662113616.db2.gz LTAABXSGEDKQDB-GFCCVEGCSA-N 1 0 393.285 2.514 20 0 GFADRO CC(C)(C)OC(=O)NCCCOCC[NH2+][C@@H]1CC[C@@H]2SCCS[C@H]12 ZINC000858532757 662114213 /nfs/dbraw/zinc/11/42/13/662114213.db2.gz MVFSXZHGGRJEOP-QLFBSQMISA-N 1 0 376.588 2.887 20 0 GFADRO CON(C)C(=O)[C@H](C)[NH2+][C@@H](C)CCc1ccc(I)cc1 ZINC000858580566 662115477 /nfs/dbraw/zinc/11/54/77/662115477.db2.gz RIRFQJWXLIOMNE-RYUDHWBXSA-N 1 0 390.265 2.610 20 0 GFADRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2cccc3c2CCCC3)CC[C@H]1C(F)(F)F ZINC000858623701 662117055 /nfs/dbraw/zinc/11/70/55/662117055.db2.gz NJEXNNNUCYOBHG-UKRRQHHQSA-N 1 0 376.444 2.713 20 0 GFADRO CC(=O)c1ccc(Cl)c(S(=O)(=O)N2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1 ZINC000858623464 662117086 /nfs/dbraw/zinc/11/70/86/662117086.db2.gz JLTREOLRVIWQDG-NWDGAFQWSA-N 1 0 398.834 2.690 20 0 GFADRO C[C@]12C[NH2+]C[C@@]1(C)CN(S(=O)(=O)/C=C/c1ccc(Br)cc1)C2 ZINC000858636322 662117556 /nfs/dbraw/zinc/11/75/56/662117556.db2.gz KRPOKSBPCFGVRP-COAGQGPPSA-N 1 0 385.327 2.681 20 0 GFADRO C[N@@H+]1CCCC[C@H](CNC(=O)N[C@H](CO)c2ccc(Br)cc2)C1 ZINC000858767016 662122292 /nfs/dbraw/zinc/12/22/92/662122292.db2.gz YXSZPPVQBILMBQ-CZUORRHYSA-N 1 0 384.318 2.514 20 0 GFADRO C[C@@H](CNC(=O)OCc1ccc(Br)cc1)C[NH+]1CCN(C)CC1 ZINC000859024566 662132372 /nfs/dbraw/zinc/13/23/72/662132372.db2.gz HHDALARBLLPTKH-AWEZNQCLSA-N 1 0 384.318 2.559 20 0 GFADRO CCC[N@H+](CC)CCNS(=O)(=O)c1ccc(NC(=O)OC)c(Cl)c1 ZINC000859046297 662133516 /nfs/dbraw/zinc/13/35/16/662133516.db2.gz FEWCNEVYOKWPBM-UHFFFAOYSA-N 1 0 377.894 2.529 20 0 GFADRO CC[NH+](CC)C[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)OC)c(Cl)c1 ZINC000859120885 662138882 /nfs/dbraw/zinc/13/88/82/662138882.db2.gz LJIIEGNDKLWXPM-LLVKDONJSA-N 1 0 377.894 2.527 20 0 GFADRO COC(=O)Nc1ccc(S(=O)(=O)N(C)CC2([NH+](C)C)CCC2)cc1Cl ZINC000859124699 662139085 /nfs/dbraw/zinc/13/90/85/662139085.db2.gz ZQUICVROSJWSTH-UHFFFAOYSA-N 1 0 389.905 2.623 20 0 GFADRO O[C@H](COc1ccc(Cl)cc1Cl)C[NH+]1CCC(N2CCOCC2)CC1 ZINC000859358291 662156329 /nfs/dbraw/zinc/15/63/29/662156329.db2.gz ZWBCLPKWHITTME-INIZCTEOSA-N 1 0 389.323 2.530 20 0 GFADRO O=C(NC1CC[NH+](Cc2cccnc2)CC1)c1cc(Br)cnc1F ZINC000859396346 662158456 /nfs/dbraw/zinc/15/84/56/662158456.db2.gz CUBKPKBLHSIBEL-UHFFFAOYSA-N 1 0 393.260 2.773 20 0 GFADRO O=C(Nc1cc2c(cc1Br)OCCO2)N[C@@H]1CC[NH2+]C12CCC2 ZINC000859620778 662170111 /nfs/dbraw/zinc/17/01/11/662170111.db2.gz IRZSRXRXBRSPOG-CQSZACIVSA-N 1 0 382.258 2.626 20 0 GFADRO CC(C)[C@H]1C[NH2+]CCN1C(=O)Nc1cc2c(cc1Br)OCCO2 ZINC000859620760 662170177 /nfs/dbraw/zinc/17/01/77/662170177.db2.gz IEUDMMPIISDRLR-CYBMUJFWSA-N 1 0 384.274 2.682 20 0 GFADRO C[NH+](C)CCOCCNC(=O)C(C)(C)[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000860630993 662207997 /nfs/dbraw/zinc/20/79/97/662207997.db2.gz LEUGIMQHFYLOKO-OAHLLOKOSA-N 1 0 377.312 2.747 20 0 GFADRO CS[C@@H]1CN(C(=O)c2cc(Br)cc(C=O)c2)C[C@@H]1[NH+]1CCCC1 ZINC000860785810 662215694 /nfs/dbraw/zinc/21/56/94/662215694.db2.gz KVEUNYYVAOZFQT-JKSUJKDBSA-N 1 0 397.338 2.913 20 0 GFADRO C[NH+]1CCC(N(C[C@H](O)CC(C)(C)C)C(=O)[C@@H]2C[C@@]2(C)Br)CC1 ZINC000861524304 662249091 /nfs/dbraw/zinc/24/90/91/662249091.db2.gz VJWWGTMVXIBVPS-RVKKMQEKSA-N 1 0 389.378 2.880 20 0 GFADRO C[C@H]([NH3+])CN(C)C(=O)C(=O)Nc1cc(Cl)ccc1SCC(F)(F)F ZINC000861541703 662249516 /nfs/dbraw/zinc/24/95/16/662249516.db2.gz GIBIXTMEHGDPHA-QMMMGPOBSA-N 1 0 383.823 2.739 20 0 GFADRO C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)NCCc1ccc(Br)cc1F)C2 ZINC000861573852 662250055 /nfs/dbraw/zinc/25/00/55/662250055.db2.gz NSOAJMISZUSRGV-CALCHBBNSA-N 1 0 384.293 2.772 20 0 GFADRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCO[C@H](c2ccccc2Br)C1 ZINC000861675182 662254703 /nfs/dbraw/zinc/25/47/03/662254703.db2.gz KIKPDKBNGVXALS-XHSDSOJGSA-N 1 0 382.302 2.673 20 0 GFADRO O=C(c1c(Cl)cc(F)cc1Br)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000861713784 662255676 /nfs/dbraw/zinc/25/56/76/662255676.db2.gz DZFWGXSPDJXKMG-MNOVXSKESA-N 1 0 391.668 2.523 20 0 GFADRO C[C@@H]1CC[N@H+](CCNC(=O)C(=O)Nc2cccc(SC(F)(F)F)c2)C1 ZINC000861763065 662257919 /nfs/dbraw/zinc/25/79/19/662257919.db2.gz SITQKIXJUXGYNU-LLVKDONJSA-N 1 0 375.416 2.695 20 0 GFADRO CSC1(CNC(=O)c2cc(Br)cc(C=O)c2)CC[NH+](C)CC1 ZINC000861769080 662258080 /nfs/dbraw/zinc/25/80/80/662258080.db2.gz DNEGWPYROPCJQS-UHFFFAOYSA-N 1 0 385.327 2.819 20 0 GFADRO CCN(C(=O)c1cn(-c2ccccc2Br)nn1)C1CC[NH+](C)CC1 ZINC000861894734 662262757 /nfs/dbraw/zinc/26/27/57/662262757.db2.gz JDEMMFZGJJOOIS-UHFFFAOYSA-N 1 0 392.301 2.586 20 0 GFADRO C[C@]1(Br)C[C@@H]1C(=O)N1CCO[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000862128174 662270047 /nfs/dbraw/zinc/27/00/47/662270047.db2.gz APWOLVPWTXRQCT-DFEOGRTESA-N 1 0 393.325 2.662 20 0 GFADRO CCC1([NH+]2CCOCC2)CCN(C(=O)c2sc(N(C)C)nc2Cl)CC1 ZINC000863491460 662334666 /nfs/dbraw/zinc/33/46/66/662334666.db2.gz USJFIFRGLXOSKQ-UHFFFAOYSA-N 1 0 386.949 2.580 20 0 GFADRO [NH3+]C[C@@H]1CN(CCS(=O)(=O)c2ccc(Cl)cc2)CC[C@H]1C(F)(F)F ZINC000863553183 662336194 /nfs/dbraw/zinc/33/61/94/662336194.db2.gz WIPNFUWYZOOTLG-BXUZGUMPSA-N 1 0 384.851 2.573 20 0 GFADRO CC[NH+]1CCC(NC(=O)c2cc(Br)ncc2Br)CC1 ZINC000864609804 662381292 /nfs/dbraw/zinc/38/12/92/662381292.db2.gz GSCZAJOIEBVZEC-UHFFFAOYSA-N 1 0 391.107 2.821 20 0 GFADRO C/C(=C\c1ccc(Br)o1)C(=O)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000864630991 662381899 /nfs/dbraw/zinc/38/18/99/662381899.db2.gz PBUBFNBSUSJULX-CCEZHUSRSA-N 1 0 396.329 2.685 20 0 GFADRO C[C@@H]1C[N@@H+](CCCNC(=O)c2nc(Br)sc2Cl)C[C@H](C)O1 ZINC000864667926 662382881 /nfs/dbraw/zinc/38/28/81/662382881.db2.gz IZNWEBICXSVNDL-DTORHVGOSA-N 1 0 396.738 2.788 20 0 GFADRO CC(C)n1ncc(C(=O)NCC2([NH+]3CCCC3)CCOCC2)c1Br ZINC000865180591 662402820 /nfs/dbraw/zinc/40/28/20/662402820.db2.gz YZFHZZNPOWYQQB-UHFFFAOYSA-N 1 0 399.333 2.601 20 0 GFADRO CC(=O)c1ccc(Cl)c(S(=O)(=O)N2C[C@@H](C[NH3+])Cc3ccccc32)c1 ZINC000865213370 662404444 /nfs/dbraw/zinc/40/44/44/662404444.db2.gz XUNUNJGNIIJBJP-CYBMUJFWSA-N 1 0 378.881 2.869 20 0 GFADRO Fc1ccc(CC[NH2+]Cc2cn(C[C@@H]3CCCO3)nn2)cc1Br ZINC000865433266 662421231 /nfs/dbraw/zinc/42/12/31/662421231.db2.gz LFCGAXBWNCWSFZ-AWEZNQCLSA-N 1 0 383.265 2.691 20 0 GFADRO CC[NH+](CC)CCCNC(=O)C1CCN(c2cccc(Br)n2)CC1 ZINC000865441516 662421630 /nfs/dbraw/zinc/42/16/30/662421630.db2.gz VVMNWSJUOJDMJY-UHFFFAOYSA-N 1 0 397.361 2.909 20 0 GFADRO CN(C)[C@]1(C[NH2+]C[C@H](CC(F)(F)F)NC(=O)OC(C)(C)C)CCSC1 ZINC000865483469 662424443 /nfs/dbraw/zinc/42/44/43/662424443.db2.gz RZIMMKCRHBBODD-WFASDCNBSA-N 1 0 385.496 2.859 20 0 GFADRO COc1ncc(Br)cc1C[NH2+][C@H]1CCO[C@H](c2nccn2C)C1 ZINC000865595538 662431458 /nfs/dbraw/zinc/43/14/58/662431458.db2.gz BVZDJAZJSJXMBC-KBPBESRZSA-N 1 0 381.274 2.596 20 0 GFADRO CC(C)n1ncc(C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)c1Br ZINC000865789829 662443719 /nfs/dbraw/zinc/44/37/19/662443719.db2.gz VCEGOMFPKKXFKR-AWEZNQCLSA-N 1 0 399.333 2.600 20 0 GFADRO Brc1ccc2c(c1)[C@H]1[C@H]([NH2+]Cc3cn(C[C@@H]4CCCO4)nn3)[C@H]1C2 ZINC000865835681 662446546 /nfs/dbraw/zinc/44/65/46/662446546.db2.gz VWUKNAMSEIACAA-DZJNRPSUSA-N 1 0 389.297 2.648 20 0 GFADRO C[NH+]1CCC(n2cc(Nc3ccc4c(c3)S(=O)(=O)N=C4Cl)cn2)CC1 ZINC000866057468 662458964 /nfs/dbraw/zinc/45/89/64/662458964.db2.gz IOYPPEYJYDTIDH-UHFFFAOYSA-N 1 0 379.873 2.581 20 0 GFADRO O=C1OC[C@]2(C[NH2+][C@@H]3CCSc4ccc(Br)cc43)COCCN12 ZINC000866519681 662478414 /nfs/dbraw/zinc/47/84/14/662478414.db2.gz UKAHHOWJNBVKLE-CJNGLKHVSA-N 1 0 399.310 2.797 20 0 GFADRO O=S(=O)(c1oc2ccccc2c1Br)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000866765714 662495754 /nfs/dbraw/zinc/49/57/54/662495754.db2.gz AFUVBZVQAOWEOA-PWSUYJOCSA-N 1 0 385.283 2.568 20 0 GFADRO C[NH+](C)C[C@H]1CN(S(=O)(=O)C[C@@]2(C)CC2(Cl)Cl)c2ccccc2O1 ZINC000866961686 662512081 /nfs/dbraw/zinc/51/20/81/662512081.db2.gz CCPQGWZOCURJII-SWLSCSKDSA-N 1 0 393.336 2.729 20 0 GFADRO C/C(=C\c1ccc(Br)o1)C(=O)N[C@H](C)CC[NH+]1CCN(C)CC1 ZINC000867479891 662553252 /nfs/dbraw/zinc/55/32/52/662553252.db2.gz LZQFTQFMKVPPLI-XTZCOPOCSA-N 1 0 384.318 2.588 20 0 GFADRO COc1ccc(OC)c(CCNC(=O)[C@H]([NH3+])c2cccc(Br)c2)c1 ZINC000867943509 662588419 /nfs/dbraw/zinc/58/84/19/662588419.db2.gz XLTDYJOWSXUJRC-QGZVFWFLSA-N 1 0 393.281 2.825 20 0 GFADRO CCOC(=O)c1cc(NC(=O)[C@H]([NH3+])c2cccc(Br)c2)cn1C ZINC000867942550 662588476 /nfs/dbraw/zinc/58/84/76/662588476.db2.gz BYNRZVKSJRTKGS-CQSZACIVSA-N 1 0 380.242 2.603 20 0 GFADRO COCCOc1ccc(CNC(=O)[C@H]([NH3+])c2cccc(Br)c2)cc1 ZINC000867952182 662589015 /nfs/dbraw/zinc/58/90/15/662589015.db2.gz VLRRPPLYNJPJEZ-QGZVFWFLSA-N 1 0 393.281 2.791 20 0 GFADRO Cc1cc2c(CC(=O)NC[C@H](N3CC[NH2+]CC3)C(F)(F)F)csc2s1 ZINC000867972668 662590069 /nfs/dbraw/zinc/59/00/69/662590069.db2.gz HQELXUYPHGGKGC-ZDUSSCGKSA-N 1 0 391.484 2.766 20 0 GFADRO O=C([C@@H]1[C@@H]2Cc3ccc(Br)cc3[C@@H]21)N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000868037436 662592068 /nfs/dbraw/zinc/59/20/68/662592068.db2.gz SKJJGNRFPHDNDV-UWLPGLTFSA-N 1 0 375.310 2.935 20 0 GFADRO COCCC1(NC(=O)CCCOc2cccc(Br)c2)CC[NH2+]CC1 ZINC000868038758 662592195 /nfs/dbraw/zinc/59/21/95/662592195.db2.gz AVDCBJYZBFVGET-UHFFFAOYSA-N 1 0 399.329 2.883 20 0 GFADRO O=C(Nc1ccc(F)cc1I)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000868129437 662595349 /nfs/dbraw/zinc/59/53/49/662595349.db2.gz CPCFTXRBRYMFDV-CHWSQXEVSA-N 1 0 389.212 2.789 20 0 GFADRO O=C(Nc1cnn(-c2ccccc2Br)c1)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000868138175 662595650 /nfs/dbraw/zinc/59/56/50/662595650.db2.gz GXYRFPGCLFZGRM-HOCLYGCPSA-N 1 0 390.285 2.993 20 0 GFADRO COC(=O)c1cccc(NC(=O)N2C3CCC2(C[NH3+])CC3)c1Br ZINC000868154623 662596777 /nfs/dbraw/zinc/59/67/77/662596777.db2.gz JESNDIGORWCOOE-UHFFFAOYSA-N 1 0 382.258 2.723 20 0 GFADRO [NH3+][C@H]1C[C@@H](CNC(=O)Nc2cc(Br)cc(C(=O)N3CCCC3)c2)C1 ZINC000868155368 662596820 /nfs/dbraw/zinc/59/68/20/662596820.db2.gz NEXWCHNPJBHLQL-VDISTLRHSA-N 1 0 395.301 2.544 20 0 GFADRO O=C(Nc1ccc(I)cc1F)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000868169652 662597425 /nfs/dbraw/zinc/59/74/25/662597425.db2.gz CFMSNPIMFDSFCQ-OLZOCXBDSA-N 1 0 389.212 2.789 20 0 GFADRO CC[NH+]1CCC(NC(=O)N[C@@H](COC)c2cccc(Br)c2)CC1 ZINC000868351863 662602550 /nfs/dbraw/zinc/60/25/50/662602550.db2.gz JNXFQNIIWJUGLP-INIZCTEOSA-N 1 0 384.318 2.920 20 0 GFADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)Nc2cc(O)cc(Br)c2)cn1 ZINC000868730026 662616854 /nfs/dbraw/zinc/61/68/54/662616854.db2.gz GJOZAOHTBIUNNQ-HOTGVXAUSA-N 1 0 393.285 2.562 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(C(=O)N[C@@H]3[C@H]4Cc5cc(Br)ccc5[C@@H]34)CC[C@@H]21 ZINC000868910587 662624519 /nfs/dbraw/zinc/62/45/19/662624519.db2.gz VKUPSZKDHAKUFZ-QBFPWWHVSA-N 1 0 390.325 2.823 20 0 GFADRO COCCN(CC1CC[NH+](C)CC1)C(=O)c1sc(Br)nc1C ZINC000869762946 662660395 /nfs/dbraw/zinc/66/03/95/662660395.db2.gz MINPJKOJZYOILO-UHFFFAOYSA-N 1 0 390.347 2.644 20 0 GFADRO CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2cccc(Br)c2)C1 ZINC000869776218 662661371 /nfs/dbraw/zinc/66/13/71/662661371.db2.gz AANIDURYNRVPDS-HRCADAONSA-N 1 0 381.314 2.514 20 0 GFADRO CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)CCSc2nc3ccccc3s2)C1 ZINC000869784357 662662216 /nfs/dbraw/zinc/66/22/16/662662216.db2.gz IYGCDEVOKMCAAD-ZDUSSCGKSA-N 1 0 379.551 2.740 20 0 GFADRO CO[C@H]1C[N@H+](C)[C@](C)(COC(=O)c2ccc3cncc(Br)c3n2)C1 ZINC000870487490 662692030 /nfs/dbraw/zinc/69/20/30/662692030.db2.gz PFBFMHGEFSYIIX-PXAZEXFGSA-N 1 0 394.269 2.658 20 0 GFADRO C[C@H](NC(=O)[C@H]1CC[C@@H]([NH3+])CC1)c1cc2c(cc1Br)OCCO2 ZINC000870870336 662703915 /nfs/dbraw/zinc/70/39/15/662703915.db2.gz PUZCRZFEBQLFTD-SDDRHHMPSA-N 1 0 383.286 2.915 20 0 GFADRO [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)NCc2cc(Br)ccc2OC(F)F)C1 ZINC000870877361 662704365 /nfs/dbraw/zinc/70/43/65/662704365.db2.gz QPHVPKMVYGJHJC-ZVWUFJHRSA-N 1 0 375.213 2.794 20 0 GFADRO [NH3+]C1(CNC(=O)c2c(F)ccc(I)c2Cl)CCC1 ZINC000870912773 662707909 /nfs/dbraw/zinc/70/79/09/662707909.db2.gz MIJLNIMQXWCJJI-UHFFFAOYSA-N 1 0 382.604 2.695 20 0 GFADRO [NH3+][C@@H](C(=O)N1CCN(c2ccc(O)cc2)CC1)c1cccc(Br)c1 ZINC000870914270 662707941 /nfs/dbraw/zinc/70/79/41/662707941.db2.gz NIQZHEDPSLGHIT-QGZVFWFLSA-N 1 0 390.281 2.503 20 0 GFADRO O=C([C@@H]1[C@@H]2Cc3ccc(Br)cc3[C@@H]21)N1CCC2(CC[NH2+]C2)CC1 ZINC000870913481 662707947 /nfs/dbraw/zinc/70/79/47/662707947.db2.gz BWLWQVIFRXIWDB-IXDOHACOSA-N 1 0 375.310 2.937 20 0 GFADRO CNC(=O)CC1(CNC(=O)[C@H]([NH3+])c2cccc(Br)c2)CCCCC1 ZINC000870956111 662711515 /nfs/dbraw/zinc/71/15/15/662711515.db2.gz IEAYWGMDWHSIHR-MRXNPFEDSA-N 1 0 396.329 2.652 20 0 GFADRO [NH3+][C@H]1C[C@H](CNC(=O)c2c(F)ccc(I)c2Cl)C1 ZINC000870972683 662711918 /nfs/dbraw/zinc/71/19/18/662711918.db2.gz PVXZGVOEPMDBOP-LJGSYFOKSA-N 1 0 382.604 2.551 20 0 GFADRO Cn1c(-c2cccc(Br)c2)nnc1N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000871046254 662714194 /nfs/dbraw/zinc/71/41/94/662714194.db2.gz WNAUKDLTFQPZGO-HIFRSBDPSA-N 1 0 376.302 2.775 20 0 GFADRO O=S(=O)(c1ccsc1-c1nc(C2C[C@H]3CC[C@@H](C2)[NH2+]3)no1)C(F)F ZINC000871796361 662734326 /nfs/dbraw/zinc/73/43/26/662734326.db2.gz RJPKGFDYBOQJNF-CBLAIPOGSA-N 1 0 375.422 2.792 20 0 GFADRO NC(=O)[C@@H]([NH2+]C[C@@H]1C[C@H]1C1CCOCC1)c1ccc(Br)cc1F ZINC000871922330 662742092 /nfs/dbraw/zinc/74/20/92/662742092.db2.gz XZFSWHINIOULGO-PJODQICGSA-N 1 0 385.277 2.767 20 0 GFADRO C[C@@H]([NH2+][C@@H](C)C(=O)N(C)Cc1ccc(Br)cc1)c1ccnn1C ZINC000871926958 662742933 /nfs/dbraw/zinc/74/29/33/662742933.db2.gz LSRJGQYRFADJCI-OLZOCXBDSA-N 1 0 379.302 2.880 20 0 GFADRO NC(=O)c1ccc(C[NH2+][C@@H](c2cccc(Br)c2)[C@@H]2CCOC2)cn1 ZINC000872041048 662754509 /nfs/dbraw/zinc/75/45/09/662754509.db2.gz FVWZDGRSAVWGSX-PBHICJAKSA-N 1 0 390.281 2.810 20 0 GFADRO Cn1cnc(CCC[NH2+][C@H](c2cccc(Br)c2)[C@H]2CCOC2)n1 ZINC000872080627 662755350 /nfs/dbraw/zinc/75/53/50/662755350.db2.gz BCXGXNHNLYIGKL-WMLDXEAASA-N 1 0 379.302 2.878 20 0 GFADRO Cn1nnc2c1CC[C@H]([NH2+][C@@H](c1cccc(Br)c1)[C@@H]1CCOC1)C2 ZINC000872083721 662755562 /nfs/dbraw/zinc/75/55/62/662755562.db2.gz NXEYGGMNSZZVRH-XUWXXGDYSA-N 1 0 391.313 2.802 20 0 GFADRO O=C1NC(=O)C2(CCC([NH2+]CC3(c4ccc(Br)cc4)CC3)CC2)N1 ZINC000872107935 662756121 /nfs/dbraw/zinc/75/61/21/662756121.db2.gz UZJPRJGCNRFARF-UHFFFAOYSA-N 1 0 392.297 2.591 20 0 GFADRO [NH3+]C[C@H]1CN(Cc2cc3c(cc2Br)OCO3)C[C@@H]1C(F)(F)F ZINC000872148209 662756599 /nfs/dbraw/zinc/75/65/99/662756599.db2.gz OHQUUZKGYIRLOZ-UWVGGRQHSA-N 1 0 381.192 2.747 20 0 GFADRO CS(=O)(=O)Cc1nc(CN2CCC[C@@H](C[C@@H]([NH3+])C3CCCC3)C2)cs1 ZINC000872156320 662757211 /nfs/dbraw/zinc/75/72/11/662757211.db2.gz HYSBKFHUTUDDKG-WMLDXEAASA-N 1 0 385.599 2.807 20 0 GFADRO O=S(=O)(Cc1noc(/C=C/[C@H]2CCC[NH2+]C2)n1)Cc1ccc(Cl)cc1 ZINC000872183265 662757522 /nfs/dbraw/zinc/75/75/22/662757522.db2.gz DQKDCQXYCUYXFE-OQHXTRMZSA-N 1 0 381.885 2.851 20 0 GFADRO CC(C)(C)[S@@](C)(=O)=NS(=O)(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000872437008 662766236 /nfs/dbraw/zinc/76/62/36/662766236.db2.gz XXWSWGOIHMNAIW-XMMPIXPASA-N 1 0 393.619 2.716 20 0 GFADRO C[N@@H+]1CCN(CN2C(=O)N[C@@](C)(c3ccc(Cl)s3)C2=O)CCC1(C)C ZINC000872695107 662785956 /nfs/dbraw/zinc/78/59/56/662785956.db2.gz DJEZUKZFPQJHHJ-KRWDZBQOSA-N 1 0 384.933 2.542 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N(C)CCCCCC[NH3+])cc1Br ZINC000873110597 662800184 /nfs/dbraw/zinc/80/01/84/662800184.db2.gz WNNSCLOUJIITBV-UHFFFAOYSA-N 1 0 384.318 2.982 20 0 GFADRO COC[C@@H]([NH2+][C@H]1CCCS(=O)(=O)CC1)c1cccc(Br)c1 ZINC000873152563 662801932 /nfs/dbraw/zinc/80/19/32/662801932.db2.gz UFNUSIYREFPXGQ-LSDHHAIUSA-N 1 0 376.316 2.694 20 0 GFADRO COc1ccc(C[C@](C)(CO)[NH2+]Cc2ccc(Br)cn2)cc1OC ZINC000873191146 662803728 /nfs/dbraw/zinc/80/37/28/662803728.db2.gz JTXJALHTHORNOI-GOSISDBHSA-N 1 0 395.297 2.945 20 0 GFADRO CCS(=O)(=O)c1c(Cl)cccc1CN1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000873227948 662804241 /nfs/dbraw/zinc/80/42/41/662804241.db2.gz NGYJRGMDAARUMZ-RYUDHWBXSA-N 1 0 384.851 2.703 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)Nc2nnc(-c3ccsc3)s2)C[C@@H]1C(F)(F)F ZINC000873303696 662805010 /nfs/dbraw/zinc/80/50/10/662805010.db2.gz LDSACXWFQXGDHS-BDAKNGLRSA-N 1 0 377.417 2.868 20 0 GFADRO COC(=O)c1cc(Cl)cc(NC(=O)N2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)c1 ZINC000873307455 662805078 /nfs/dbraw/zinc/80/50/78/662805078.db2.gz ADMYTRMGNNSPDR-JOYOIKCWSA-N 1 0 379.766 2.728 20 0 GFADRO Cc1cnc(Br)c(NC(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)c1 ZINC000873328694 662805595 /nfs/dbraw/zinc/80/55/95/662805595.db2.gz YWFOEVNHLDDSOF-RKDXNWHRSA-N 1 0 381.196 2.753 20 0 GFADRO CC(C)(C)[NH2+]CCNC(=O)C(=O)Nc1c(F)cc(Cl)cc1Br ZINC000873822412 662815370 /nfs/dbraw/zinc/81/53/70/662815370.db2.gz HEDJARKVTUKMOY-UHFFFAOYSA-N 1 0 394.672 2.684 20 0 GFADRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)Nc1cc(Cl)cc(Cl)c1F ZINC000873831523 662815623 /nfs/dbraw/zinc/81/56/23/662815623.db2.gz VUMLKNCVMONSMU-TVQRCGJNSA-N 1 0 376.259 2.870 20 0 GFADRO CCc1ccc(Br)c(NC(=O)C(=O)N[C@H](C)C2=CC[N@H+](C)CC2)c1 ZINC000873839853 662815847 /nfs/dbraw/zinc/81/58/47/662815847.db2.gz QBGLGHOSLBFRIX-GFCCVEGCSA-N 1 0 394.313 2.717 20 0 GFADRO CCn1ncc(C(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)c1Br ZINC000874115711 662823186 /nfs/dbraw/zinc/82/31/86/662823186.db2.gz JDUKQSGJUBNKFI-AWEZNQCLSA-N 1 0 379.302 2.568 20 0 GFADRO CCn1ncc(C(=O)NCc2ccccc2OCC[NH+](C)C)c1Br ZINC000874250506 662826771 /nfs/dbraw/zinc/82/67/71/662826771.db2.gz USPLPVFKGCQVPT-UHFFFAOYSA-N 1 0 395.301 2.536 20 0 GFADRO COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2C ZINC000874370102 662830273 /nfs/dbraw/zinc/83/02/73/662830273.db2.gz WIZJEWXBAZQBRV-KGLIPLIRSA-N 1 0 386.279 2.636 20 0 GFADRO CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)NCc2nc3cc(Cl)ccc3s2)C1 ZINC000875150340 662842520 /nfs/dbraw/zinc/84/25/20/662842520.db2.gz APAJQHCPBRNKQT-LBPRGKRZSA-N 1 0 382.917 2.594 20 0 GFADRO CC[N@H+](CCNC(=O)N1CCO[C@@H](C(F)(F)F)CC1)CCC(F)(F)F ZINC000875530193 662847460 /nfs/dbraw/zinc/84/74/60/662847460.db2.gz IQELEWHJTSCGGI-LLVKDONJSA-N 1 0 379.345 2.624 20 0 GFADRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)N2CC[C@@H](O)[C@H]2c2ccc(Br)cc2)C1 ZINC000875705512 662850633 /nfs/dbraw/zinc/85/06/33/662850633.db2.gz YLMPMQYJGYBGDM-VJUNAUMWSA-N 1 0 396.329 2.607 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CN(C(=O)C2(c3cc(Cl)cc(Br)c3)CC2)CCO1 ZINC000876543252 662862576 /nfs/dbraw/zinc/86/25/76/662862576.db2.gz IRHAWIFHWDVXEC-YGRLFVJLSA-N 1 0 387.705 2.709 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CN(C(=O)c2cnc(-c3ccccc3Br)s2)CCO1 ZINC000876543127 662862629 /nfs/dbraw/zinc/86/26/29/662862629.db2.gz GDHLDUPHQQGLCO-ZWNOBZJWSA-N 1 0 396.310 2.761 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CN(C(=O)c2cnc(-c3ccccc3Br)s2)CCO1 ZINC000876543124 662862634 /nfs/dbraw/zinc/86/26/34/662862634.db2.gz GDHLDUPHQQGLCO-GWCFXTLKSA-N 1 0 396.310 2.761 20 0 GFADRO O=C(Nc1ccnn1Cc1ccc(Br)cc1)[C@H](F)[C@H]1CC[NH2+]C1 ZINC000876563494 662862818 /nfs/dbraw/zinc/86/28/18/662862818.db2.gz JEOSOINPPRXEGN-SWLSCSKDSA-N 1 0 381.249 2.580 20 0 GFADRO COCCNC(=O)[C@H]1CC[C@H](C)[N@H+](Cc2nccc(C)c2Br)C1 ZINC000876632949 662863877 /nfs/dbraw/zinc/86/38/77/662863877.db2.gz OUGKDWWOPOIPIW-KBPBESRZSA-N 1 0 384.318 2.516 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)/C=C\[C@@H]1CCC[NH2+]C1 ZINC000876636188 662864041 /nfs/dbraw/zinc/86/40/41/662864041.db2.gz RRHOFWUBWHEVSP-VSKVDJIOSA-N 1 0 394.313 2.758 20 0 GFADRO O=C(CCC12CC(C1)C[NH2+]2)Nc1cc(Br)ccc1N1CCOCC1 ZINC000876712493 662865250 /nfs/dbraw/zinc/86/52/50/662865250.db2.gz IALJLKFGIPEVNK-UHFFFAOYSA-N 1 0 394.313 2.756 20 0 GFADRO O=C(/C=C/[C@@H]1CCC[NH2+]C1)N[C@H]1CCN(c2ccccc2Br)C1 ZINC000876764888 662865992 /nfs/dbraw/zinc/86/59/92/662865992.db2.gz XHLXRXXQLGYKFR-JSMHICHCSA-N 1 0 378.314 2.700 20 0 GFADRO O=C([C@@H]1[C@@H]2Cc3cc(Br)ccc3[C@@H]21)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000876842009 662867181 /nfs/dbraw/zinc/86/71/81/662867181.db2.gz WQLQOJBRQCAVQD-SFNKJDCFSA-N 1 0 375.310 2.937 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)c2ccc(SC(F)(F)F)nc2)CC12CCOCC2 ZINC000876868228 662867528 /nfs/dbraw/zinc/86/75/28/662867528.db2.gz AVQMSTSXQYWOKG-LBPRGKRZSA-N 1 0 375.416 2.521 20 0 GFADRO O=C(c1cc(Br)cn2ccnc12)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000876912529 662868005 /nfs/dbraw/zinc/86/80/05/662868005.db2.gz HDAVUEKZXBDLOR-SWLSCSKDSA-N 1 0 377.286 2.701 20 0 GFADRO CCn1ncc(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)c1Br ZINC000876964252 662868706 /nfs/dbraw/zinc/86/87/06/662868706.db2.gz BTUZLHNOWYBSQZ-UKRRQHHQSA-N 1 0 395.276 2.680 20 0 GFADRO CCO[P@](C)(=O)CC[C@@H](C)[NH2+][C@@H](C)c1ccc(S(=O)(=O)NC)cc1 ZINC000876969056 662868866 /nfs/dbraw/zinc/86/88/66/662868866.db2.gz WJIPUKGQMLJVNS-XXAQJILISA-N 1 0 376.459 2.968 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)c2sc(N3CCCC3)nc2Cl)CC[C@@H]1C(F)(F)F ZINC000877016219 662869679 /nfs/dbraw/zinc/86/96/79/662869679.db2.gz DELPHBHLSWMXTI-ZJUUUORDSA-N 1 0 396.866 2.996 20 0 GFADRO C[C@@H]([NH2+]Cc1cccc(S(N)(=O)=O)c1)[C@H](O)c1c(Cl)cccc1Cl ZINC000877067798 662870601 /nfs/dbraw/zinc/87/06/01/662870601.db2.gz IXFSIOMHVKSMGT-HWPZZCPQSA-N 1 0 389.304 2.853 20 0 GFADRO C[C@@H]([NH2+]Cc1ccc(S(N)(=O)=O)cc1)[C@@H](O)c1c(Cl)cccc1Cl ZINC000877068333 662870632 /nfs/dbraw/zinc/87/06/32/662870632.db2.gz OXDOWZMOTHLTRL-QLJPJBMISA-N 1 0 389.304 2.853 20 0 GFADRO CCO[P@@](C)(=O)CC[C@@H](C)[NH2+]C1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000877108528 662871112 /nfs/dbraw/zinc/87/11/12/662871112.db2.gz PJAAJQGKFMBUBH-QVQLBTGDSA-N 1 0 394.396 2.613 20 0 GFADRO O=C([C@H](O)c1cc(Cl)cc(Cl)c1)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000877115371 662871309 /nfs/dbraw/zinc/87/13/09/662871309.db2.gz DIARRJKNGOMNCC-IAGOWNOFSA-N 1 0 387.307 2.644 20 0 GFADRO COC(=O)c1ccc(C[NH2+][C@@H]2CCO[C@]3(CCOC3)C2)cc1Br ZINC000877132770 662871517 /nfs/dbraw/zinc/87/15/17/662871517.db2.gz MXIZKMDPLPMLLH-CXAGYDPISA-N 1 0 384.270 2.663 20 0 GFADRO Cn1ncc(Br)c1CNC(=O)[C@@H]([NH3+])c1cccc(C(F)(F)F)c1 ZINC000877148915 662871735 /nfs/dbraw/zinc/87/17/35/662871735.db2.gz YUPUOJPZMHFGBC-LBPRGKRZSA-N 1 0 391.191 2.518 20 0 GFADRO COc1ccc([C@@H]2CN(C(=O)c3cc(Br)oc3C)C[C@H]2[NH3+])cc1 ZINC000877239433 662872367 /nfs/dbraw/zinc/87/23/67/662872367.db2.gz QPNQZINBXHXQEO-LSDHHAIUSA-N 1 0 379.254 2.926 20 0 GFADRO COCCC1(NC(=O)c2[nH]c3ccccc3c2Br)CC[NH2+]CC1 ZINC000877268263 662872835 /nfs/dbraw/zinc/87/28/35/662872835.db2.gz XRGYFJXFNVWLBC-UHFFFAOYSA-N 1 0 380.286 2.819 20 0 GFADRO COCCC1(NC(=O)[C@H]2[C@@H]3c4cccc(Br)c4C[C@H]23)CC[NH2+]CC1 ZINC000877268905 662872912 /nfs/dbraw/zinc/87/29/12/662872912.db2.gz YBXNTPIQQOSYSB-USXIJHARSA-N 1 0 393.325 2.610 20 0 GFADRO Cc1nc(C2CC[NH2+]CC2)sc1C(=O)Nc1nnc([C@@H]2CCCO2)s1 ZINC000877270841 662872913 /nfs/dbraw/zinc/87/29/13/662872913.db2.gz LHIQGANNFOWBOE-NSHDSACASA-N 1 0 379.511 2.874 20 0 GFADRO O=C(c1ccc(I)cc1Cl)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000877280046 662872960 /nfs/dbraw/zinc/87/29/60/662872960.db2.gz FRJPTKPWCBGAMU-STQMWFEESA-N 1 0 390.652 2.911 20 0 GFADRO O=C(c1nn(-c2ccc(F)cc2)cc1Br)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000877278122 662872997 /nfs/dbraw/zinc/87/29/97/662872997.db2.gz LVVYMIHWEHSQEF-CABCVRRESA-N 1 0 393.260 2.740 20 0 GFADRO O=C(c1ccc(I)cc1Cl)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000877280043 662873009 /nfs/dbraw/zinc/87/30/09/662873009.db2.gz FRJPTKPWCBGAMU-CHWSQXEVSA-N 1 0 390.652 2.911 20 0 GFADRO Cc1cc(C)c(Br)c(C(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)c1 ZINC000877327996 662873633 /nfs/dbraw/zinc/87/36/33/662873633.db2.gz AUQFIKCQGWNPEZ-AWEZNQCLSA-N 1 0 381.314 2.954 20 0 GFADRO O=C(CCc1ccc(Br)cc1F)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000877334299 662873825 /nfs/dbraw/zinc/87/38/25/662873825.db2.gz NPBQPDBOPMTMKU-HNNXBMFYSA-N 1 0 399.304 2.796 20 0 GFADRO CN(C)[C@H](C(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1)c1c(F)cccc1Cl ZINC000877359344 662874429 /nfs/dbraw/zinc/87/44/29/662874429.db2.gz GJEPOSYQOFNMFW-BFVZDQMLSA-N 1 0 381.801 2.677 20 0 GFADRO CC(C)COc1ncc(C(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)cc1Cl ZINC000877359456 662874522 /nfs/dbraw/zinc/87/45/22/662874522.db2.gz SUNSQTQLBGFJOX-VXGBXAGGSA-N 1 0 379.810 2.979 20 0 GFADRO COc1ccc(Br)cc1C(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000877363044 662874615 /nfs/dbraw/zinc/87/46/15/662874615.db2.gz AXFMCXDGLBGLGK-LDYMZIIASA-N 1 0 381.192 2.667 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)CCOc2cccc(Br)c2)C[C@@H]1C(F)(F)F ZINC000877365305 662874759 /nfs/dbraw/zinc/87/47/59/662874759.db2.gz DOJZNRRZJOCOBX-GWCFXTLKSA-N 1 0 395.219 2.814 20 0 GFADRO Cc1nc(C2CC[NH2+]CC2)sc1C(=O)N1CCO[C@H](C(F)(F)F)CC1 ZINC000877383368 662875144 /nfs/dbraw/zinc/87/51/44/662875144.db2.gz YWMCKRSIGRYRCJ-LBPRGKRZSA-N 1 0 377.432 2.712 20 0 GFADRO C[C@]([NH3+])(C(=O)N1CCO[C@H](C(F)(F)F)CC1)c1ccc(Br)cc1 ZINC000877383423 662875173 /nfs/dbraw/zinc/87/51/73/662875173.db2.gz ZYKVHSRRBYEKIS-GXTWGEPZSA-N 1 0 395.219 2.803 20 0 GFADRO O=C(N[C@]12CCC[C@@H]1[NH2+]CC2)c1cnn(-c2cccc(Br)c2)c1 ZINC000877391961 662875387 /nfs/dbraw/zinc/87/53/87/662875387.db2.gz KNGJHFIBLBYMPV-RDJZCZTQSA-N 1 0 375.270 2.649 20 0 GFADRO O=C(N[C@]12CCC[C@@H]1[NH2+]CC2)c1[nH]nc(-c2ccccc2)c1Br ZINC000877394223 662875405 /nfs/dbraw/zinc/87/54/05/662875405.db2.gz UCMYNKJOEJADDF-SJCJKPOMSA-N 1 0 375.270 2.854 20 0 GFADRO CN(CCCCCC[NH3+])C(=O)Cc1csc(NC(=O)c2cccs2)n1 ZINC000877439529 662876030 /nfs/dbraw/zinc/87/60/30/662876030.db2.gz NVSYPYUKEYKYHQ-UHFFFAOYSA-N 1 0 380.539 2.977 20 0 GFADRO NS(=O)(=O)c1cccc(C[NH2+]CC[C@@H](O)c2ccc(Cl)c(Cl)c2)c1 ZINC000877529318 662878244 /nfs/dbraw/zinc/87/82/44/662878244.db2.gz ZIPBFMDUZBKRRB-MRXNPFEDSA-N 1 0 389.304 2.854 20 0 GFADRO C[C@H]([NH2+]Cc1cnn2cc(Br)cnc12)[C@](C)(O)c1ccccc1 ZINC000877611229 662879899 /nfs/dbraw/zinc/87/98/99/662879899.db2.gz YCQZFBYAZMHBBD-SJCJKPOMSA-N 1 0 375.270 2.878 20 0 GFADRO COC(=O)[C@@H]1OCC[C@@H]1C[NH2+]Cc1ccc(OC(F)F)c(Br)c1 ZINC000877727775 662882526 /nfs/dbraw/zinc/88/25/26/662882526.db2.gz YSDHHZBTKBQCBT-ZWNOBZJWSA-N 1 0 394.212 2.718 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(Cc3ccc(Br)cc3N3CCOCC3)CC[C@@H]21 ZINC000877740884 662882694 /nfs/dbraw/zinc/88/26/94/662882694.db2.gz KZSSZVWEZAOFCD-AEFFLSMTSA-N 1 0 394.357 2.812 20 0 GFADRO CN1CC[NH+](C2CCN(Cc3ccc(Cl)nc3C(F)(F)F)CC2)CC1 ZINC000877746581 662882768 /nfs/dbraw/zinc/88/27/68/662882768.db2.gz RXFMBNNNFFIBOR-UHFFFAOYSA-N 1 0 376.854 2.966 20 0 GFADRO CC1([NH+]2CCCCC2)CCN(Cc2ccc(S(N)(=O)=O)c(Cl)c2)CC1 ZINC000877794886 662884255 /nfs/dbraw/zinc/88/42/55/662884255.db2.gz UDVGMLKFTCUXIT-UHFFFAOYSA-N 1 0 385.961 2.828 20 0 GFADRO CN1CC[NH+](CCCCNC(=O)c2ccc(OC(F)F)c(Cl)c2)CC1 ZINC000878219492 662891809 /nfs/dbraw/zinc/89/18/09/662891809.db2.gz MCHFWHWVMSGYOC-UHFFFAOYSA-N 1 0 375.847 2.699 20 0 GFADRO CCOC(=O)CC[C@H]1CCC[N@H+](C[C@@H](O)c2cc(Br)no2)C1 ZINC000878292916 662893377 /nfs/dbraw/zinc/89/33/77/662893377.db2.gz CCVCQJYQXUWNOJ-VXGBXAGGSA-N 1 0 375.263 2.526 20 0 GFADRO C[NH+]1CCC(NC(=O)CN(Cc2csc(Br)c2)C2CC2)CC1 ZINC000878296255 662893394 /nfs/dbraw/zinc/89/33/94/662893394.db2.gz ODNXONOWTRTGBN-UHFFFAOYSA-N 1 0 386.359 2.685 20 0 GFADRO COC(=O)CC[N@@H+]1CCN(C[C@H](O)c2ccc(Cl)c(Cl)c2)[C@H](C)C1 ZINC000878374721 662894762 /nfs/dbraw/zinc/89/47/62/662894762.db2.gz UPVYISKLGPCGDT-WBMJQRKESA-N 1 0 375.296 2.596 20 0 GFADRO OCC[C@@H]([NH2+]C[C@@H](O)CC1(O)CCCCC1)c1ccccc1Br ZINC000878395619 662895255 /nfs/dbraw/zinc/89/52/55/662895255.db2.gz FPXIXYIRVPYMNN-WMLDXEAASA-N 1 0 386.330 2.908 20 0 GFADRO C[C@H]([NH2+]CCn1cnnn1)c1nc(-c2ccc(Br)cc2)cs1 ZINC000878424692 662896044 /nfs/dbraw/zinc/89/60/44/662896044.db2.gz WRQCPDQFSFAZAP-JTQLQIEISA-N 1 0 379.287 2.910 20 0 GFADRO COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@@H](C)[N@@H+]2C[C@H](O)c2ccc(Br)cc2)O1 ZINC000878565336 662898898 /nfs/dbraw/zinc/89/88/98/662898898.db2.gz JGIDSQFGQRYSPT-UFRBAHOGSA-N 1 0 398.297 2.666 20 0 GFADRO O[C@@H](C[N@@H+]1CCCN2c3ccccc3C[C@@H]2C1)c1cc(Br)no1 ZINC000878627959 662900746 /nfs/dbraw/zinc/90/07/46/662900746.db2.gz CPGOVRGIHMTVBX-HIFRSBDPSA-N 1 0 378.270 2.608 20 0 GFADRO C[N@H+](CCOc1ccc(S(N)(=O)=O)cc1F)CC[C@@H]1CCCC1(F)F ZINC000878689684 662902463 /nfs/dbraw/zinc/90/24/63/662902463.db2.gz GPNRFIIIMVMKAA-LBPRGKRZSA-N 1 0 380.432 2.609 20 0 GFADRO C[C@H]1CN(C(=O)Nc2cncc(Br)c2)CCN1c1cc[nH+]cc1 ZINC000879030447 662913971 /nfs/dbraw/zinc/91/39/71/662913971.db2.gz DHQCMXYUDZIUGE-LBPRGKRZSA-N 1 0 376.258 2.982 20 0 GFADRO O=C(Nc1cc(Br)ccn1)N1CCC([NH2+]C2CCOCC2)CC1 ZINC000879377017 662924886 /nfs/dbraw/zinc/92/48/86/662924886.db2.gz MMLUHBFLNPCDCJ-UHFFFAOYSA-N 1 0 383.290 2.609 20 0 GFADRO C[C@H](C[N@@H+]1CC[C@](CNC(=O)OC(C)(C)C)(C(C)(C)C)C1)S(C)(=O)=O ZINC000879652670 662934168 /nfs/dbraw/zinc/93/41/68/662934168.db2.gz CCGIZRKFOXNCPM-RDTXWAMCSA-N 1 0 376.563 2.682 20 0 GFADRO CCC(O)(CC)C(C)(C)[NH2+]CC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl ZINC000879697507 662936431 /nfs/dbraw/zinc/93/64/31/662936431.db2.gz BAKXCIQUYSHUQI-UHFFFAOYSA-N 1 0 390.933 2.601 20 0 GFADRO CCC(O)(CC)C(C)(C)[NH2+]Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000879697490 662936533 /nfs/dbraw/zinc/93/65/33/662936533.db2.gz AFSIRPRBANKKJQ-UHFFFAOYSA-N 1 0 382.302 2.876 20 0 GFADRO CC[NH+]1CCN(CCNC(=O)c2cc(Br)ccc2C2CC2)CC1 ZINC000879805248 662939762 /nfs/dbraw/zinc/93/97/62/662939762.db2.gz FMLXJKNYJIEWGE-UHFFFAOYSA-N 1 0 380.330 2.694 20 0 GFADRO CC(=O)N1C[C@@H]2C[N@H+]([C@@H]3CCN(c4ccc(Cl)cc4Cl)C3=O)C[C@@H]2C1 ZINC000880311599 662957879 /nfs/dbraw/zinc/95/78/79/662957879.db2.gz JPYWXYJOPHTEBV-IIYDPXPESA-N 1 0 382.291 2.509 20 0 GFADRO OC[C@@H]([NH2+]C[C@H](O)C[C@@H](O)c1ccccc1)c1ccc(Br)cc1 ZINC000880331388 662958191 /nfs/dbraw/zinc/95/81/91/662958191.db2.gz YWMJNBHRFALNJU-KZNAEPCWSA-N 1 0 380.282 2.557 20 0 GFADRO COc1ccc(C[N@H+](CC(N)=O)C2CCOCC2)cc1SC(F)(F)F ZINC000880392307 662959117 /nfs/dbraw/zinc/95/91/17/662959117.db2.gz BXEDDTCRMFDGEM-UHFFFAOYSA-N 1 0 378.416 2.773 20 0 GFADRO CS[C@H]1CN(C(=O)Nc2ccc(C(=O)C(F)(F)F)cc2)C[C@@H]1[NH+](C)C ZINC000880431450 662960107 /nfs/dbraw/zinc/96/01/07/662960107.db2.gz ZDHFWASLCBWCIZ-STQMWFEESA-N 1 0 375.416 2.941 20 0 GFADRO OC[C@H]1C=CCN1Cc1coc(-c2ccc(I)cc2)n1 ZINC000880489127 662960688 /nfs/dbraw/zinc/96/06/88/662960688.db2.gz QQDGFTKWPYXNNX-CQSZACIVSA-N 1 0 382.201 2.679 20 0 GFADRO O[C@@H](COc1cc(Cl)cc(Cl)c1)C[N@@H+]1C[C@H](O)CC2(CCOCC2)C1 ZINC000880580095 662962919 /nfs/dbraw/zinc/96/29/19/662962919.db2.gz ZCYMYHBMKAXJQF-HZPDHXFCSA-N 1 0 390.307 2.597 20 0 GFADRO CN(CCCC[NH+](C)C)C(=O)Nc1cc(Br)cc2c1NC(=O)CO2 ZINC000881270757 662987160 /nfs/dbraw/zinc/98/71/60/662987160.db2.gz JGFNHVICIAOHAF-UHFFFAOYSA-N 1 0 399.289 2.586 20 0 GFADRO CCCCOC(=O)[C@@H](C)n1cc([C@H]([NH3+])c2ccc(Br)cc2)nn1 ZINC000881292439 662989079 /nfs/dbraw/zinc/98/90/79/662989079.db2.gz FNDRNMXPBLYSOO-IAQYHMDHSA-N 1 0 381.274 2.993 20 0 GFADRO C[C@](O)(Cn1cc(CCCC[NH3+])nn1)c1ccc(Br)cc1Cl ZINC000881424160 662993705 /nfs/dbraw/zinc/99/37/05/662993705.db2.gz LGESLNKBCABFNH-HNNXBMFYSA-N 1 0 387.709 2.883 20 0 GFADRO O=C(c1cc(F)cc(Br)c1)N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000881470783 662995235 /nfs/dbraw/zinc/99/52/35/662995235.db2.gz SJMLCFWWKAEXFT-MRXNPFEDSA-N 1 0 385.277 2.961 20 0 GFADRO NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)c2cc3sccc3s2)CC1 ZINC000881621592 662998121 /nfs/dbraw/zinc/99/81/21/662998121.db2.gz CDFOUEIZZBCORR-UHFFFAOYSA-N 1 0 377.535 2.909 20 0 GFADRO Brc1nnc2ccc(N3CCC[N@H+](Cc4ccccc4)CC3)nn12 ZINC000881779616 663002866 /nfs/dbraw/zinc/00/28/66/663002866.db2.gz UZSFPUUWLPVTMI-UHFFFAOYSA-N 1 0 387.285 2.599 20 0 GFADRO CN(c1ccc(OCC[NH+](C)C)cc1)S(=O)(=O)C[C@@H]1C(C)(C)C1(F)F ZINC000881879440 663007754 /nfs/dbraw/zinc/00/77/54/663007754.db2.gz FKQDTNMRPBZURF-OAHLLOKOSA-N 1 0 376.469 2.684 20 0 GFADRO C[C@H](Nc1cnn(CC(F)(F)F)c(=O)c1Br)C(C)(C)C[NH+](C)C ZINC000882015829 663013713 /nfs/dbraw/zinc/01/37/13/663013713.db2.gz FSRXYQVJQZIULJ-VIFPVBQESA-N 1 0 399.255 2.956 20 0 GFADRO C[N@H+](Cc1ccccc1)[C@H]1CCN(c2ccc3nnc(Br)n3n2)C1 ZINC000882029385 663014039 /nfs/dbraw/zinc/01/40/39/663014039.db2.gz DNGKNISNLDFDCE-AWEZNQCLSA-N 1 0 387.285 2.598 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@H](Nc2cnn(CC(F)(F)F)c(=O)c2Br)C1 ZINC000882057140 663015352 /nfs/dbraw/zinc/01/53/52/663015352.db2.gz OTHHEIYMFRDYTC-VHSXEESVSA-N 1 0 397.239 2.853 20 0 GFADRO CN(CCC[NH+]1CCCC1)S(=O)(=O)c1cnc(Cl)cc1C(F)(F)F ZINC000882152676 663018542 /nfs/dbraw/zinc/01/85/42/663018542.db2.gz ISRGZBBPDRKPJW-UHFFFAOYSA-N 1 0 385.839 2.860 20 0 GFADRO O=S(=O)(CC[C@H]1CC1(Cl)Cl)N1CCCN(c2cc[nH+]cc2)CC1 ZINC000882486078 663028829 /nfs/dbraw/zinc/02/88/29/663028829.db2.gz YBRHPOVNCPKBOX-ZDUSSCGKSA-N 1 0 378.325 2.507 20 0 GFADRO CC1([NH+]2CCCCC2)CCN(c2ccc3nnc(Br)n3n2)CC1 ZINC000882714259 663037958 /nfs/dbraw/zinc/03/79/58/663037958.db2.gz QSTJPMTZSVUJSQ-UHFFFAOYSA-N 1 0 379.306 2.732 20 0 GFADRO C[NH+](C)CCCCC(=O)N[C@@H]1CCc2cc(Br)ccc2NC1=O ZINC000882735185 663038862 /nfs/dbraw/zinc/03/88/62/663038862.db2.gz YAUHXKYDYGZAPF-OAHLLOKOSA-N 1 0 382.302 2.551 20 0 GFADRO CC1([NH+]2CCC2)CCN(S(=O)(=O)c2cccc(Br)c2F)CC1 ZINC000882767937 663041080 /nfs/dbraw/zinc/04/10/80/663041080.db2.gz IXRQPOXCVFYEEV-UHFFFAOYSA-N 1 0 391.306 2.837 20 0 GFADRO COC[C@H]([NH2+]Cc1cn(-c2ccccc2Br)nn1)[C@@H]1CCCOC1 ZINC000883202290 663051269 /nfs/dbraw/zinc/05/12/69/663051269.db2.gz XLIPGOVHJMMSHR-CJNGLKHVSA-N 1 0 395.301 2.561 20 0 GFADRO O=C(NCc1cccc(Br)c1)N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000883232017 663051755 /nfs/dbraw/zinc/05/17/55/663051755.db2.gz YXCHVRSSPQRDFQ-QGZVFWFLSA-N 1 0 396.329 2.892 20 0 GFADRO CC(C)(C)OC(=O)Nc1ncc(C[NH2+]CC[C@@H]2CCCS2(=O)=O)s1 ZINC000883297297 663052715 /nfs/dbraw/zinc/05/27/15/663052715.db2.gz LPRLFAALNNUPGF-LBPRGKRZSA-N 1 0 375.516 2.547 20 0 GFADRO Cc1nn(Cc2ccccc2)c(Cl)c1C[NH2+]CC[C@@H]1CCCS1(=O)=O ZINC000883301420 663053187 /nfs/dbraw/zinc/05/31/87/663053187.db2.gz ZUABFOZZLZOTMR-INIZCTEOSA-N 1 0 381.929 2.950 20 0 GFADRO CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]C[C@H](O)C(F)(F)C(F)(F)F)cc1 ZINC000883359584 663053794 /nfs/dbraw/zinc/05/37/94/663053794.db2.gz JRZISRGXRXNSCI-SKDRFNHKSA-N 1 0 390.374 2.657 20 0 GFADRO C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+][C@H]1C[C@H](S(C)(=O)=O)C1 ZINC000883373613 663054271 /nfs/dbraw/zinc/05/42/71/663054271.db2.gz WCYYGVUQDCMQGC-SRVKXCTJSA-N 1 0 378.416 2.588 20 0 GFADRO Cc1cc(Br)c(Cl)cc1S(=O)(=O)N1CC[C@@H]([NH3+])C[C@@H]1C ZINC000883467834 663055514 /nfs/dbraw/zinc/05/55/14/663055514.db2.gz AJTADJNUPGWSSE-VHSXEESVSA-N 1 0 381.723 2.911 20 0 GFADRO C[NH2+]C[C@@H]1CCN(S(=O)(=O)c2cc(Cl)c(Br)cc2C)C1 ZINC000883465045 663055543 /nfs/dbraw/zinc/05/55/43/663055543.db2.gz DWIFUYLYXRPUNO-JTQLQIEISA-N 1 0 381.723 2.641 20 0 GFADRO C[NH2+]Cc1ccccc1NC(=O)C(=O)N(C)Cc1cscc1Br ZINC000883629959 663058514 /nfs/dbraw/zinc/05/85/14/663058514.db2.gz JVSHAKQDKIGSTE-UHFFFAOYSA-N 1 0 396.310 2.827 20 0 GFADRO Cc1noc([C@@H]2CCCN(C(=O)[C@@H]([NH3+])c3ccc(Br)cc3)C2)n1 ZINC000884007105 663063654 /nfs/dbraw/zinc/06/36/54/663063654.db2.gz PIKPBHYREKXPLK-OCCSQVGLSA-N 1 0 379.258 2.547 20 0 GFADRO C[C@H]1C[NH2+]CCN1C(=O)Cc1csc(-c2sccc2Br)n1 ZINC000884018043 663063792 /nfs/dbraw/zinc/06/37/92/663063792.db2.gz LXATZFMZBPQAFB-VIFPVBQESA-N 1 0 386.340 2.997 20 0 GFADRO CC[NH+](CC)[C@H](CNC(=O)NCc1n[nH]c(CSC)n1)c1ccsc1 ZINC000884056447 663064305 /nfs/dbraw/zinc/06/43/05/663064305.db2.gz YCZTZYBEOVFCDU-CYBMUJFWSA-N 1 0 382.559 2.612 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)c1ccnc(N2CC[NH2+]CC2)c1 ZINC000884068449 663064483 /nfs/dbraw/zinc/06/44/83/663064483.db2.gz QLOOZIBQFNHNCP-UHFFFAOYSA-N 1 0 375.270 2.814 20 0 GFADRO COCC[C@H]([NH3+])C(=O)N1CCCC[C@H]1C(=O)Nc1ccc(Cl)cc1Cl ZINC000884090575 663064786 /nfs/dbraw/zinc/06/47/86/663064786.db2.gz YORKVVLGHFVBPO-ZFWWWQNUSA-N 1 0 388.295 2.677 20 0 GFADRO CN(CC(F)F)C1CCN(C(=O)[C@H]([NH3+])c2ccc(Br)cc2)CC1 ZINC000884229169 663067375 /nfs/dbraw/zinc/06/73/75/663067375.db2.gz KEDTWTFBEPOTHW-OAHLLOKOSA-N 1 0 390.272 2.637 20 0 GFADRO [NH3+][C@H]1CCC[C@@H](NC(=O)c2cc(Br)nn2-c2ncccc2Cl)C1 ZINC000884267663 663067825 /nfs/dbraw/zinc/06/78/25/663067825.db2.gz KJHDNTFNSZXOPB-VHSXEESVSA-N 1 0 398.692 2.683 20 0 GFADRO C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)c1cc(Br)nn1-c1ncccc1Cl ZINC000884271519 663067938 /nfs/dbraw/zinc/06/79/38/663067938.db2.gz GGBYLMHTUKUXEF-VHSXEESVSA-N 1 0 398.692 2.506 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CNC(=S)N1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000884345782 663069438 /nfs/dbraw/zinc/06/94/38/663069438.db2.gz OLGVOWNQKUXSRF-SFHVURJKSA-N 1 0 380.989 2.816 20 0 GFADRO CC1(C)[C@H]([NH3+])C[C@H]1NC(=O)CCC[S@](=O)c1ccc(Br)cc1 ZINC000884355964 663069600 /nfs/dbraw/zinc/06/96/00/663069600.db2.gz VEUVVWYEITZDCX-SOHPYSCWSA-N 1 0 387.343 2.579 20 0 GFADRO Cn1ncc2c1CC(C)(C)CN(C(=O)[C@@H]([NH3+])c1ccc(Br)cc1)C2 ZINC000884425097 663070530 /nfs/dbraw/zinc/07/05/30/663070530.db2.gz WUBXRUKWQBITRZ-INIZCTEOSA-N 1 0 391.313 2.794 20 0 GFADRO O=S(=O)(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1cccc(OC(F)(F)F)c1F ZINC000884956873 663079555 /nfs/dbraw/zinc/07/95/55/663079555.db2.gz HQDPITFPNSYCKV-QWRGUYRKSA-N 1 0 382.379 2.629 20 0 GFADRO O=S(=O)(CCc1ccccc1Br)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000884956610 663079671 /nfs/dbraw/zinc/07/96/71/663079671.db2.gz CBNCCSHAJRYIMD-CABCVRRESA-N 1 0 387.343 2.538 20 0 GFADRO C[C@H](Cc1c[nH]cn1)C(=O)N1CCC[C@](O)(c2ccc(Br)cc2)C1 ZINC000884969594 663081371 /nfs/dbraw/zinc/08/13/71/663081371.db2.gz KSBIVSBFTZOECU-FZKQIMNGSA-N 1 0 392.297 2.861 20 0 GFADRO O=C(NC[C@@H]1CC[N@@H+]1C1CCOCC1)C1(c2cccc(Br)c2)CC1 ZINC000885861051 663099422 /nfs/dbraw/zinc/09/94/22/663099422.db2.gz OERZXSRSTBZWRC-KRWDZBQOSA-N 1 0 393.325 2.850 20 0 GFADRO O=C(NC[C@@H]1CC[N@@H+]1C1CCOCC1)[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000885888065 663100565 /nfs/dbraw/zinc/10/05/65/663100565.db2.gz AWDVWIJFTXHOBO-OKZBNKHCSA-N 1 0 393.325 2.922 20 0 GFADRO O=C(NC[C@@H]1CC[N@@H+]1C1CCOCC1)c1ccc(SC(F)(F)F)nc1 ZINC000885893124 663100765 /nfs/dbraw/zinc/10/07/65/663100765.db2.gz KJRCKUFYFLPXAA-ZDUSSCGKSA-N 1 0 375.416 2.677 20 0 GFADRO Cc1n[nH]c(C[NH2+]CCC(=O)N(C)Cc2ccccc2Br)c1C ZINC000885976719 663102261 /nfs/dbraw/zinc/10/22/61/663102261.db2.gz AFZWWDWWCUTVHI-UHFFFAOYSA-N 1 0 379.302 2.927 20 0 GFADRO CC(=O)NCC[N@@H+](Cc1ccc(Br)s1)C[C@@H]1C[C@]12CCOC2 ZINC000886190432 663104307 /nfs/dbraw/zinc/10/43/07/663104307.db2.gz QEDHZSMJMJFQLQ-BBRMVZONSA-N 1 0 387.343 2.875 20 0 GFADRO Cc1nn(-c2ccccc2Br)cc1C[NH2+][C@H](CO)C[C@H]1CCCO1 ZINC000886219927 663105167 /nfs/dbraw/zinc/10/51/67/663105167.db2.gz AFLGBCVMMDRPRD-JKSUJKDBSA-N 1 0 394.313 2.963 20 0 GFADRO OC[C@H](C[C@@H]1CCCO1)[NH2+]Cc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000886228551 663105341 /nfs/dbraw/zinc/10/53/41/663105341.db2.gz AXYJDQXKGUUGEA-GJZGRUSLSA-N 1 0 380.286 2.859 20 0 GFADRO Cc1nn(-c2cccc(Br)c2)cc1C[NH2+][C@H]1CC[C@@H](O)[C@@H](O)CC1 ZINC000886262660 663106489 /nfs/dbraw/zinc/10/64/89/663106489.db2.gz XFRWXNXPLUKTBK-VBUUOAMHSA-N 1 0 394.313 2.697 20 0 GFADRO O[C@@H]1CC[C@H]([NH2+]Cc2cc(Br)cc(Br)c2)CC[C@@H]1O ZINC000886262672 663106514 /nfs/dbraw/zinc/10/65/14/663106514.db2.gz XSBRBGCYURYGLB-BTTYYORXSA-N 1 0 393.119 2.966 20 0 GFADRO COC(=O)c1cc2n(n1)CCC[C@H]2[NH2+]CCCCn1cc(Br)cn1 ZINC000886603448 663114454 /nfs/dbraw/zinc/11/44/54/663114454.db2.gz ODXHVPOLFYNTRC-CYBMUJFWSA-N 1 0 396.289 2.534 20 0 GFADRO CCC1([NH+]2CCC2)CCN([C@H](C(N)=O)c2cccc(Br)c2)CC1 ZINC000886716005 663116126 /nfs/dbraw/zinc/11/61/26/663116126.db2.gz LPOULZZKWYAOEW-INIZCTEOSA-N 1 0 380.330 2.926 20 0 GFADRO CC(C)[C@@H](Cc1ccc(Br)cc1)[NH2+]Cc1nnc2c(=O)[nH]ccn12 ZINC000886706479 663116131 /nfs/dbraw/zinc/11/61/31/663116131.db2.gz YYPTTXYTRCRNAU-CQSZACIVSA-N 1 0 390.285 2.537 20 0 GFADRO C[C@@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+]CC1(S(=O)(=O)N(C)C)CC1 ZINC000886738823 663116563 /nfs/dbraw/zinc/11/65/63/663116563.db2.gz GMKGNOYCXBHYEC-JTQLQIEISA-N 1 0 399.866 2.698 20 0 GFADRO C[C@H]([NH2+]C1CCC=CCC1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000886813657 663119955 /nfs/dbraw/zinc/11/99/55/663119955.db2.gz RMLULWWXLUSSSR-AWEZNQCLSA-N 1 0 386.539 2.562 20 0 GFADRO O=S(=O)(NC[C@@H]1C[NH2+]CCC1(F)F)c1ccc(Cl)cc1C(F)(F)F ZINC000886895461 663123808 /nfs/dbraw/zinc/12/38/08/663123808.db2.gz SNFTYSUTRZNIMO-QMMMGPOBSA-N 1 0 392.777 2.882 20 0 GFADRO COC[C@H]([NH2+]CC(=O)Nc1ccc(C)cc1Br)[C@H]1CCCOC1 ZINC000886909936 663124543 /nfs/dbraw/zinc/12/45/43/663124543.db2.gz INRFILILKMDIQP-BBRMVZONSA-N 1 0 385.302 2.727 20 0 GFADRO COC[C@H]([NH2+][C@@H](C)C(=O)Nc1ccc(Br)cc1)[C@@H]1CCCOC1 ZINC000886909554 663124547 /nfs/dbraw/zinc/12/45/47/663124547.db2.gz BHVCTCRVJCYYSD-ZENOOKHLSA-N 1 0 385.302 2.807 20 0 GFADRO COCCOc1ccc(NC(=O)NC[C@H]2C[NH2+]CCC2(F)F)cc1Cl ZINC000886931430 663125128 /nfs/dbraw/zinc/12/51/28/663125128.db2.gz OHJNIEQBTSWCBY-LLVKDONJSA-N 1 0 377.819 2.732 20 0 GFADRO CCN(C(=O)C(=O)Nc1ccc(-c2ccc(Cl)s2)nc1)[C@@H]1CC[NH2+]C1 ZINC000887007527 663128481 /nfs/dbraw/zinc/12/84/81/663128481.db2.gz MITPILVZZKWBMK-GFCCVEGCSA-N 1 0 378.885 2.612 20 0 GFADRO CCN(C(=O)C(=O)Nc1cc(Br)c2ccccc2c1)[C@H]1CC[NH2+]C1 ZINC000887007898 663128503 /nfs/dbraw/zinc/12/85/03/663128503.db2.gz VHGLUGFTZMPRLH-AWEZNQCLSA-N 1 0 390.281 2.751 20 0 GFADRO C[C@H](CNC(=O)C1C[NH+](C2CCOCC2)C1)c1ccc(Br)cc1 ZINC000887407372 663145124 /nfs/dbraw/zinc/14/51/24/663145124.db2.gz ZYYBGQDWWKAEQO-CYBMUJFWSA-N 1 0 381.314 2.780 20 0 GFADRO [NH3+][C@H]1CCCN(Cc2cn(Cc3cc(Br)ccc3Cl)nn2)C1 ZINC000887442726 663146693 /nfs/dbraw/zinc/14/66/93/663146693.db2.gz QAHWZQWFMOWJJX-ZDUSSCGKSA-N 1 0 384.709 2.665 20 0 GFADRO Cc1sc(N(C)C2CC2)nc1-c1cn(CCC[NH+]2CCSCC2)nn1 ZINC000887513417 663150529 /nfs/dbraw/zinc/15/05/29/663150529.db2.gz LJKIXCXOHCMDKU-UHFFFAOYSA-N 1 0 378.571 2.748 20 0 GFADRO C[N@@H+]1C[C@@H]2CN(C(=O)c3cn(-c4ccc(Br)cc4)cn3)C[C@]2(C)C1 ZINC000887930822 663170548 /nfs/dbraw/zinc/17/05/48/663170548.db2.gz YFJFOVNTTAXUIN-ACJLOTCBSA-N 1 0 389.297 2.659 20 0 GFADRO C[N@H+](CCO)CCNC(=O)Nc1cc(C(F)(F)F)ccc1Br ZINC000888074536 663177588 /nfs/dbraw/zinc/17/75/88/663177588.db2.gz INNPFLIVTWUQQW-UHFFFAOYSA-N 1 0 384.196 2.514 20 0 GFADRO Cc1cc(Cl)c(NC(=O)NCC[N@@H+]2CC[C@H](O)C2)cc1Br ZINC000888430168 663197627 /nfs/dbraw/zinc/19/76/27/663197627.db2.gz OYYSSKDJZBQFKO-JTQLQIEISA-N 1 0 376.682 2.599 20 0 GFADRO O=C(NCCCC[N@H+]1CCC[C@H]1CO)Nc1nc2ccc(Cl)nc2s1 ZINC000888784774 663215217 /nfs/dbraw/zinc/21/52/17/663215217.db2.gz GMIRRQRYMDICKQ-NSHDSACASA-N 1 0 383.905 2.703 20 0 GFADRO COCCC[NH+]1CCC(NC(=O)Nc2nc3ccc(Cl)nc3s2)CC1 ZINC000888783640 663215393 /nfs/dbraw/zinc/21/53/93/663215393.db2.gz UNXMXUMRIVJKEL-UHFFFAOYSA-N 1 0 383.905 2.967 20 0 GFADRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)Nc1nc2ccc(Cl)nc2s1 ZINC000888789564 663216239 /nfs/dbraw/zinc/21/62/39/663216239.db2.gz RJSHQKBWRBAUGZ-SNVBAGLBSA-N 1 0 383.905 2.654 20 0 GFADRO O=C(c1nn2c(c1Br)CCC2)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000889087801 663231746 /nfs/dbraw/zinc/23/17/46/663231746.db2.gz AJSYLQFTERFMNW-CYBMUJFWSA-N 1 0 381.318 2.682 20 0 GFADRO CCNC(=O)c1cc(NC(=O)NCC2(SC)CC[NH+](C)CC2)c(C)s1 ZINC000889409496 663243862 /nfs/dbraw/zinc/24/38/62/663243862.db2.gz MUUWGSUIZNKLMB-UHFFFAOYSA-N 1 0 384.571 2.755 20 0 GFADRO O=C(NCc1ncc(Br)cn1)c1ccc(C[NH+]2CCCCC2)o1 ZINC000889710163 663256914 /nfs/dbraw/zinc/25/69/14/663256914.db2.gz HHMPVOSRXLQXDH-UHFFFAOYSA-N 1 0 379.258 2.748 20 0 GFADRO Cc1ccc(Br)c(C)c1C(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000889750942 663262813 /nfs/dbraw/zinc/26/28/13/663262813.db2.gz OUAZYZWSKRFZJI-CVEARBPZSA-N 1 0 381.314 2.737 20 0 GFADRO O=C([C@@H]1C[C@H]1c1cccc(Br)c1)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000889749194 663262898 /nfs/dbraw/zinc/26/28/98/663262898.db2.gz FZMLRGDMFQTFES-XWTMOSNGSA-N 1 0 393.325 2.610 20 0 GFADRO O=C(c1c[nH]c2cccc(Br)c12)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000889764914 663264937 /nfs/dbraw/zinc/26/49/37/663264937.db2.gz UOGDCVJWCKEUSC-HOTGVXAUSA-N 1 0 392.297 2.602 20 0 GFADRO CC(C)n1cc(Br)cc1C(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000889770378 663265132 /nfs/dbraw/zinc/26/51/32/663265132.db2.gz ZXGGIMPKJGMXRI-CABCVRRESA-N 1 0 384.318 2.503 20 0 GFADRO O=C(CCc1ccc(Br)cc1F)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000889776358 663266209 /nfs/dbraw/zinc/26/62/09/663266209.db2.gz ZSCDKJNFFGRYSU-DLBZAZTESA-N 1 0 399.304 2.578 20 0 GFADRO C[N@@H+]1CC[C@@]2(CCN(C(=O)COCCc3ccc(Br)cc3)C2)C1 ZINC000891144088 663326640 /nfs/dbraw/zinc/32/66/40/663326640.db2.gz BOUFDSFJYRIOJS-GOSISDBHSA-N 1 0 381.314 2.562 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)NCc2cc(Br)cs2)C[C@H]1C(F)(F)F ZINC000891368574 663337447 /nfs/dbraw/zinc/33/74/47/663337447.db2.gz FGHPBWFWFYKLOF-GMSGAONNSA-N 1 0 386.237 2.789 20 0 GFADRO C[C@@H](Cc1ccc(Br)cc1)NC(=O)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000891378373 663337930 /nfs/dbraw/zinc/33/79/30/663337930.db2.gz QQHIKWJTEYYCMA-AAEUAGOBSA-N 1 0 390.272 2.924 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)NCc2cccc(Br)c2)C[C@H]1C(F)(F)F ZINC000891461011 663340222 /nfs/dbraw/zinc/34/02/22/663340222.db2.gz RSEPYEJSKYOENZ-CMPLNLGQSA-N 1 0 380.208 2.728 20 0 GFADRO [NH3+][C@H]1C[C@@H](CNC(=O)NCc2cc(Br)ccc2OC(F)F)C1 ZINC000891474166 663340388 /nfs/dbraw/zinc/34/03/88/663340388.db2.gz RKUKPTAJQKYILY-DKTWLAJQSA-N 1 0 378.217 2.587 20 0 GFADRO C[C@@H](CNC(=O)N1CCc2sc(C[NH3+])nc2C1)Oc1ccc(Cl)cc1 ZINC000891617558 663345622 /nfs/dbraw/zinc/34/56/22/663345622.db2.gz VHDQSTLYFOPVOA-NSHDSACASA-N 1 0 380.901 2.790 20 0 GFADRO C[C@H]1C[C@H]([NH3+])CN1C(=O)NC1CCN(Cc2ccc(Br)cc2)CC1 ZINC000891682215 663346983 /nfs/dbraw/zinc/34/69/83/663346983.db2.gz SKSLJZJONKMUKV-BBRMVZONSA-N 1 0 395.345 2.545 20 0 GFADRO CCCOC[C@@H](Cc1cccc(Br)c1)NC(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000891813342 663351492 /nfs/dbraw/zinc/35/14/92/663351492.db2.gz YQOLYTXFAXLLSI-HYVNUMGLSA-N 1 0 398.345 2.823 20 0 GFADRO O=C(N[C@@H]1COc2cc(F)c(Br)cc21)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000891887134 663354253 /nfs/dbraw/zinc/35/42/53/663354253.db2.gz DZTXHTHNUOOFSF-MCIONIFRSA-N 1 0 384.249 2.558 20 0 GFADRO CCOC(=O)c1ncc(Br)c(N2CCC([NH+]3CCCCC3)CC2)n1 ZINC000891892870 663354735 /nfs/dbraw/zinc/35/47/35/663354735.db2.gz NGDPWWRFJWEZSH-UHFFFAOYSA-N 1 0 397.317 2.871 20 0 GFADRO C[C@H](NC(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1)[C@H]1OCCc2sccc21 ZINC000891914187 663355283 /nfs/dbraw/zinc/35/52/83/663355283.db2.gz FPMQEQYWGUUIIM-JYYRZZBQSA-N 1 0 377.432 2.529 20 0 GFADRO C[C@H](NC(=O)N[C@@H]1[C@H]2Cc3cc(Br)ccc3[C@@H]12)[C@@H]1CCC[NH2+]C1 ZINC000891981732 663357563 /nfs/dbraw/zinc/35/75/63/663357563.db2.gz OGKZBFNWUYFEGT-NFPNPXPFSA-N 1 0 378.314 2.775 20 0 GFADRO CCn1c(Br)c(Br)nc1CN1CC[C@@H](C[NH+](C)C)C1 ZINC000892034520 663360020 /nfs/dbraw/zinc/36/00/20/663360020.db2.gz PPZKBWHASNSLIT-JTQLQIEISA-N 1 0 394.155 2.812 20 0 GFADRO [NH3+]C1(CNC(=O)N2CC3(CCOCC3)c3ccc(Br)cc32)CCC1 ZINC000892055386 663360796 /nfs/dbraw/zinc/36/07/96/663360796.db2.gz ZGHVBKWMXBAJIK-UHFFFAOYSA-N 1 0 394.313 2.908 20 0 GFADRO O=C(NCCC1CC[NH2+]CC1)N[C@@H]1[C@H]2Cc3ccc(Br)cc3[C@@H]12 ZINC000892233955 663366689 /nfs/dbraw/zinc/36/66/89/663366689.db2.gz ZLHUNGZPGYECFS-GVDBMIGSSA-N 1 0 378.314 2.776 20 0 GFADRO COc1ccc([C@H](C)[NH2+][C@H](C)[C@H]2CCS(=O)(=O)C2)cc1Br ZINC000892469985 663374714 /nfs/dbraw/zinc/37/47/14/663374714.db2.gz VNOJWCWSGHOBLM-LOWVWBTDSA-N 1 0 376.316 2.932 20 0 GFADRO CN(C[C@@H](O)c1ccccc1Br)C(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000892482496 663375214 /nfs/dbraw/zinc/37/52/14/663375214.db2.gz XLFNESZZHAWOIG-CZUORRHYSA-N 1 0 398.345 2.902 20 0 GFADRO OC1CC[NH+](Cc2ccccc2CNc2ccc(Br)nn2)CC1 ZINC000892712461 663382956 /nfs/dbraw/zinc/38/29/56/663382956.db2.gz ORDBIEIXVASDIR-UHFFFAOYSA-N 1 0 377.286 2.808 20 0 GFADRO CC(=O)c1cc(Br)ccc1OCC(=O)N[C@]1(C)C[NH+]2CCC1CC2 ZINC000892769445 663384213 /nfs/dbraw/zinc/38/42/13/663384213.db2.gz LCLOMROQUNDLBD-GOSISDBHSA-N 1 0 395.297 2.631 20 0 GFADRO CCc1onc(C)c1C[NH2+]CCc1ccc(S(=O)(=O)N(CC)CC)s1 ZINC000892902938 663388960 /nfs/dbraw/zinc/38/89/60/663388960.db2.gz KRKPPIATACTOKG-UHFFFAOYSA-N 1 0 385.555 2.970 20 0 GFADRO O=S1(=O)CC[C@@]2(C1)C[C@@H]([NH2+]CCc1cc(Cl)cc(Cl)c1)CCO2 ZINC000893301981 663406129 /nfs/dbraw/zinc/40/61/29/663406129.db2.gz BTPJJRPELNTQSV-HOTGVXAUSA-N 1 0 378.321 2.862 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)[C@@H]1CCS(=O)(=O)C1 ZINC000893397692 663409700 /nfs/dbraw/zinc/40/97/00/663409700.db2.gz DACOOUYEWCCUHF-FIXISWKDSA-N 1 0 391.320 2.512 20 0 GFADRO Cn1nc(Br)nc1C[NH2+]CCc1cc(Br)ccc1F ZINC000894207996 663448772 /nfs/dbraw/zinc/44/87/72/663448772.db2.gz CFCWPSPUPLTCHK-UHFFFAOYSA-N 1 0 392.070 2.812 20 0 GFADRO COc1cccc2c1OCC[C@H]2NCc1cn(C)nc1I ZINC000894256989 663451187 /nfs/dbraw/zinc/45/11/87/663451187.db2.gz IONQSCPJAIMISU-GFCCVEGCSA-N 1 0 399.232 2.647 20 0 GFADRO COC(=O)c1cc(C[NH2+]C[C@H](O)c2cc(Cl)c3c(c2)OCCO3)cs1 ZINC000894279874 663452283 /nfs/dbraw/zinc/45/22/83/663452283.db2.gz CPZRSWBSLKMUPM-ZDUSSCGKSA-N 1 0 383.853 2.783 20 0 GFADRO CCOCCC1(C[NH2+]Cc2c(I)cnn2C)CCC1 ZINC000894351829 663456609 /nfs/dbraw/zinc/45/66/09/663456609.db2.gz KSDDQJKYZGNTSJ-UHFFFAOYSA-N 1 0 377.270 2.711 20 0 GFADRO O[C@@]1(C[NH2+]Cc2sc(N3CCOCC3)nc2Cl)CCc2ccccc21 ZINC000894354979 663457033 /nfs/dbraw/zinc/45/70/33/663457033.db2.gz PYCZDWURQDUGSP-GOSISDBHSA-N 1 0 379.913 2.557 20 0 GFADRO CCc1[nH]c(C[NH2+][C@H](CO)c2ccc(Br)cc2)cc1C(=O)OC ZINC000894367370 663458516 /nfs/dbraw/zinc/45/85/16/663458516.db2.gz KKDMNYFKQOHSPO-MRXNPFEDSA-N 1 0 381.270 2.949 20 0 GFADRO O=C(CC[NH2+]Cc1sc(N2CCOCC2)nc1Cl)N1CCCCCC1 ZINC000894386843 663459576 /nfs/dbraw/zinc/45/95/76/663459576.db2.gz NGXKBRCBVSAXGO-UHFFFAOYSA-N 1 0 386.949 2.515 20 0 GFADRO CCc1nnc(NC(=O)[C@H](C)[C@H](C)[NH2+]C[C@@H]2C[C@]2(C)Br)s1 ZINC000894440541 663461821 /nfs/dbraw/zinc/46/18/21/663461821.db2.gz ZLZMXOSXNVMKRU-YCWTYVPXSA-N 1 0 375.336 2.827 20 0 GFADRO Cn1nc(Br)nc1CNC[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000894495493 663465369 /nfs/dbraw/zinc/46/53/69/663465369.db2.gz SQZPQZDDUQYHRH-KRWDZBQOSA-N 1 0 378.318 2.722 20 0 GFADRO Cn1nc(Br)nc1C[NH2+]C[C@]1(Cc2ccc(F)cc2)CCC[C@@H]1O ZINC000894565686 663468967 /nfs/dbraw/zinc/46/89/67/663468967.db2.gz GLFIIUFSUUOPAC-WMLDXEAASA-N 1 0 397.292 2.580 20 0 GFADRO CC(C)[C@H]([NH2+]Cc1cn(C)nc1I)[C@@H](O)c1ccccc1 ZINC000894596834 663470637 /nfs/dbraw/zinc/47/06/37/663470637.db2.gz DNQCRGICJLAZMY-GJZGRUSLSA-N 1 0 399.276 2.873 20 0 GFADRO C[N@@H+]1C[C@@H]2CCN(C(=O)N[C@H]3CCOc4c(Br)cccc43)[C@@H]2C1 ZINC000894622669 663472962 /nfs/dbraw/zinc/47/29/62/663472962.db2.gz LBLXEHRCIMRGTJ-TUKIKUTGSA-N 1 0 380.286 2.618 20 0 GFADRO C[C@H]([NH2+]CCC(=O)Nc1cc(Cl)cc(Cl)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000894639919 663474158 /nfs/dbraw/zinc/47/41/58/663474158.db2.gz VCYJNSHMHNSRSG-WDEREUQCSA-N 1 0 379.309 2.735 20 0 GFADRO C[C@@H](NC(=O)NCc1ncc(Br)cn1)[C@@H](c1ccccc1)[NH+](C)C ZINC000894749661 663479295 /nfs/dbraw/zinc/47/92/95/663479295.db2.gz BFDAXRHJPYNTAG-WBMJQRKESA-N 1 0 392.301 2.730 20 0 GFADRO CCOC(=O)c1nc(N2C[C@]3(C)C[N@H+](C)C[C@]3(C)C2)ccc1Br ZINC000894803398 663482313 /nfs/dbraw/zinc/48/23/13/663482313.db2.gz XTRFBYQDTHVYAC-CALCHBBNSA-N 1 0 382.302 2.799 20 0 GFADRO C[NH+](C)Cc1ccc(NC(=O)C[C@H]2CCS(=O)(=O)C2)cc1C(F)(F)F ZINC000894980089 663493039 /nfs/dbraw/zinc/49/30/39/663493039.db2.gz JFUMIKUMUNKGRU-LLVKDONJSA-N 1 0 378.416 2.530 20 0 GFADRO Cn1cc(C[NH2+]C[C@@H]2CCC3(CCCC3)O2)c(I)n1 ZINC000895189961 663502459 /nfs/dbraw/zinc/50/24/59/663502459.db2.gz GSUYOSHHUWNNHY-LBPRGKRZSA-N 1 0 375.254 2.606 20 0 GFADRO C[C@@H](CC(=O)N1CCN(c2cc[nH+]cc2)C[C@H]1C)n1cc(Br)cn1 ZINC000895264504 663505843 /nfs/dbraw/zinc/50/58/43/663505843.db2.gz BOJOZCBAKFMNIL-UONOGXRCSA-N 1 0 392.301 2.729 20 0 GFADRO Cn1ncc(I)c1C[NH2+][C@@H]1CCC[C@H]1Cc1ccccn1 ZINC000895277823 663506548 /nfs/dbraw/zinc/50/65/48/663506548.db2.gz CEVHSDUCPSBAJI-SWLSCSKDSA-N 1 0 396.276 2.921 20 0 GFADRO COc1ccc(C2=NO[C@H](C[NH2+]Cc3cc(Br)nn3C)C2)cc1F ZINC000895503916 663517439 /nfs/dbraw/zinc/51/74/39/663517439.db2.gz OWTIRPXHTYNMKJ-LBPRGKRZSA-N 1 0 397.248 2.613 20 0 GFADRO O=C1NCC2(CCOCC2)[C@@H]1[NH2+]C1CC(c2ccc(Br)cc2)C1 ZINC000895768960 663527001 /nfs/dbraw/zinc/52/70/01/663527001.db2.gz MCEKIBYWEGDOPV-AVVWSFFYSA-N 1 0 379.298 2.580 20 0 GFADRO CCO[C@@H](CNc1ncc(Cn2cc(Br)cn2)s1)C[NH+](C)C ZINC000896116834 663541229 /nfs/dbraw/zinc/54/12/29/663541229.db2.gz SRHKTVXWXZLIJE-LBPRGKRZSA-N 1 0 388.335 2.529 20 0 GFADRO CCO[P@](C)(=O)CC[C@@H](C)[NH2+]Cc1ccc(CS(=O)(=O)N(C)C)cc1 ZINC000896276410 663548512 /nfs/dbraw/zinc/54/85/12/663548512.db2.gz LPYSVMSARWBWBL-MYYSRTQBSA-N 1 0 390.486 2.891 20 0 GFADRO C[NH+](C)Cc1cc(CNC(=O)c2nn3c(c2Br)CCC3)ccc1F ZINC000896389096 663554724 /nfs/dbraw/zinc/55/47/24/663554724.db2.gz SPOATJMZRHMACO-UHFFFAOYSA-N 1 0 395.276 2.723 20 0 GFADRO NC(=O)CC1CC([NH2+]Cc2cc(Br)ccc2Br)C1 ZINC000896409459 663556214 /nfs/dbraw/zinc/55/62/14/663556214.db2.gz NQAVAMGDXUPPKN-UHFFFAOYSA-N 1 0 376.092 2.955 20 0 GFADRO CC(C)(C)OC(=O)N1CC[C@H]1C[NH2+]Cc1cnn2cc(Br)cnc12 ZINC000896907383 663581159 /nfs/dbraw/zinc/58/11/59/663581159.db2.gz LYAJGBUIROECSP-ZDUSSCGKSA-N 1 0 396.289 2.591 20 0 GFADRO COc1cc(Br)c(CNC[C@@H]2CC[N@@H+]2C2CCOCC2)cc1O ZINC000897228561 663595976 /nfs/dbraw/zinc/59/59/76/663595976.db2.gz NNSHUXVCVUCSKV-AWEZNQCLSA-N 1 0 385.302 2.506 20 0 GFADRO CC(=O)Nc1cc(Br)ccc1C[NH2+]C[C@@H]1CCN1C1CCOCC1 ZINC000897227847 663596031 /nfs/dbraw/zinc/59/60/31/663596031.db2.gz IGKPNUMNRGMICF-KRWDZBQOSA-N 1 0 396.329 2.750 20 0 GFADRO CC[C@@H]1C[C@H](C[N@@H+]2CCn3ncc(I)c3C2)CCO1 ZINC000897289474 663598940 /nfs/dbraw/zinc/59/89/40/663598940.db2.gz YUULLEAZJOTEHG-VXGBXAGGSA-N 1 0 375.254 2.509 20 0 GFADRO Cc1[nH+]ccc(N2CCC(CN=[S@](C)(=O)N(C)C)CC2)c1Br ZINC000897456105 663606203 /nfs/dbraw/zinc/60/62/03/663606203.db2.gz BEOXUGTVYQDPIG-QFIPXVFZSA-N 1 0 389.363 2.943 20 0 GFADRO C[N@@H+]1CCCC[C@@H](CNC(=O)N2CCC[C@@H]2c2ncc(Br)cn2)C1 ZINC000897561902 663610895 /nfs/dbraw/zinc/61/08/95/663610895.db2.gz KVXXSNCVKSUDMV-DZGCQCFKSA-N 1 0 396.333 2.818 20 0 GFADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+][C@H]1CCSC(C)(C)C1 ZINC000897799427 663620875 /nfs/dbraw/zinc/62/08/75/663620875.db2.gz HLVVZGKNGQVFIT-QWHCGFSZSA-N 1 0 391.990 2.968 20 0 GFADRO C[N@@H+]1CCC[C@H](CCNC(=O)C(=O)NCCc2ccc(Cl)c(Cl)c2)C1 ZINC000898067742 663632128 /nfs/dbraw/zinc/63/21/28/663632128.db2.gz AZUDNPLVRNWUAW-CQSZACIVSA-N 1 0 386.323 2.500 20 0 GFADRO Cc1csc(C(=O)N2CCC(CO)([NH2+]CC3CC3)CC2)c1Br ZINC000898114254 663634351 /nfs/dbraw/zinc/63/43/51/663634351.db2.gz YIIQBUQOZVXWRU-UHFFFAOYSA-N 1 0 387.343 2.786 20 0 GFADRO O=c1cc(N2CC[C@@H]([NH2+]Cc3cccc(Br)c3Cl)C2)nc[nH]1 ZINC000898149933 663635427 /nfs/dbraw/zinc/63/54/27/663635427.db2.gz KGMLMTZDPDHGMD-LLVKDONJSA-N 1 0 383.677 2.967 20 0 GFADRO CC(C)(C)OC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(Cl)c(S(N)(=O)=O)c1 ZINC000898167147 663636683 /nfs/dbraw/zinc/63/66/83/663636683.db2.gz SPURRNJQONBTCA-OCCSQVGLSA-N 1 0 388.917 2.587 20 0 GFADRO O=c1[nH]ncc(N2CC[C@@H]([NH2+]Cc3cc4c(ccnc4Cl)o3)C2)c1Cl ZINC000898371316 663645144 /nfs/dbraw/zinc/64/51/44/663645144.db2.gz FWMCTUXMVDDBRM-SECBINFHSA-N 1 0 380.235 2.999 20 0 GFADRO COC(=O)C[C@@H]1CC[C@H]([NH2+]Cc2ncc(I)s2)C1 ZINC000898484408 663652073 /nfs/dbraw/zinc/65/20/73/663652073.db2.gz UUHWFLFSLVUZIW-BDAKNGLRSA-N 1 0 380.251 2.569 20 0 GFADRO C[C@H]([NH2+][C@H](CO)c1ccccc1I)[C@H]1CCCCO1 ZINC000898511849 663653698 /nfs/dbraw/zinc/65/36/98/663653698.db2.gz GHOOMYAULJGZFK-NILFDRSVSA-N 1 0 375.250 2.872 20 0 GFADRO C[C@H](C[C@@H]1CCOC1)[NH2+][C@@H](CO)c1ccccc1I ZINC000898513677 663654575 /nfs/dbraw/zinc/65/45/75/663654575.db2.gz XTWVUUXIWIQHBF-XUJVJEKNSA-N 1 0 375.250 2.729 20 0 GFADRO CC1(O)CCC([NH2+][C@H](CO)c2ccccc2I)CC1 ZINC000898513811 663654581 /nfs/dbraw/zinc/65/45/81/663654581.db2.gz YDBIBHDDTMBKGB-XGTXGMFGSA-N 1 0 375.250 2.608 20 0 GFADRO CCOc1c(Br)cc(C(=O)N2CC([NH+]3CCCC3)C2)cc1OC ZINC000898616797 663658141 /nfs/dbraw/zinc/65/81/41/663658141.db2.gz UFWSYWHSPPBXHR-UHFFFAOYSA-N 1 0 383.286 2.777 20 0 GFADRO O=C(NC1CC[NH+](C2CCOCC2)CC1)c1ccc(Br)c(O)c1 ZINC000898634369 663658671 /nfs/dbraw/zinc/65/86/71/663658671.db2.gz RQZFDGMYJCSJFK-UHFFFAOYSA-N 1 0 383.286 2.528 20 0 GFADRO COCCOc1cccc(C[NH2+][C@H]2CCc3ncc(Br)n3C2)c1 ZINC000898723171 663660843 /nfs/dbraw/zinc/66/08/43/663660843.db2.gz CCXBXXMBWNWBPS-AWEZNQCLSA-N 1 0 380.286 2.775 20 0 GFADRO C[N@@H+]1CCC[C@@](O)(CC(=O)N2CCC[C@H]2c2cccc(Br)c2)C1 ZINC000900286900 663711702 /nfs/dbraw/zinc/71/17/02/663711702.db2.gz VZJLILOJLULHSF-FUHWJXTLSA-N 1 0 381.314 2.959 20 0 GFADRO CCn1c(Br)ncc1C(=O)N(CC[NH+](C)C)Cc1ccccc1 ZINC000900417619 663714299 /nfs/dbraw/zinc/71/42/99/663714299.db2.gz JGMAEQZECMUGNS-UHFFFAOYSA-N 1 0 379.302 2.870 20 0 GFADRO O=C(CN1CSCCSC1)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000900436214 663714428 /nfs/dbraw/zinc/71/44/28/663714428.db2.gz WDNMYCLTFLMUFU-UHFFFAOYSA-N 1 0 385.624 2.773 20 0 GFADRO [NH3+]CC1([C@H]2CCCCN2C(=O)c2nc3ccc(Br)cn3n2)CCC1 ZINC000900479438 663715352 /nfs/dbraw/zinc/71/53/52/663715352.db2.gz HGICQOLEYKTBDS-CYBMUJFWSA-N 1 0 392.301 2.616 20 0 GFADRO O=C(N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ncc(Br)s1 ZINC000900486289 663715433 /nfs/dbraw/zinc/71/54/33/663715433.db2.gz RKZCHGFGJDRCPR-BZNIZROVSA-N 1 0 394.294 2.891 20 0 GFADRO C[N@@H+]1CCCC[C@@H]1CCC(=O)NC1(c2ncc(Br)cn2)CCC1 ZINC000900730364 663720476 /nfs/dbraw/zinc/72/04/76/663720476.db2.gz ZFJJPGQNHKEQPS-CQSZACIVSA-N 1 0 381.318 2.999 20 0 GFADRO Cc1cc(Br)cc(Cl)c1C(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCN1C ZINC000900801429 663721879 /nfs/dbraw/zinc/72/18/79/663721879.db2.gz DDGMDYPBPZSFNW-SMDDNHRTSA-N 1 0 388.737 2.775 20 0 GFADRO C[C@H](NC(=O)C(C)(C)Cc1ccc(Br)cc1)[C@@H]1C[N@H+](C)CCN1C ZINC000900806213 663721886 /nfs/dbraw/zinc/72/18/86/663721886.db2.gz SLKARGXVMVRXAK-YOEHRIQHSA-N 1 0 396.373 2.768 20 0 GFADRO O=C(N[C@H]1CCc2ncc(Br)n2C1)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000900926108 663725924 /nfs/dbraw/zinc/72/59/24/663725924.db2.gz HGDGQRNMTCIYAO-KBPBESRZSA-N 1 0 395.345 2.731 20 0 GFADRO C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)NCCc1csc(-c2ccc(Cl)cc2)n1 ZINC000901232842 663732836 /nfs/dbraw/zinc/73/28/36/663732836.db2.gz IAVVVHRQJMKVTJ-QAPCUYQASA-N 1 0 379.913 2.577 20 0 GFADRO O=C(CSc1nc(CO)cs1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000901687986 663741937 /nfs/dbraw/zinc/74/19/37/663741937.db2.gz JPTUSHREVBRWRH-UHFFFAOYSA-N 1 0 377.535 2.640 20 0 GFADRO C[C@@H]([NH2+][C@H]1CCc2ncc(Br)n2C1)C(=O)Nc1cccnc1Cl ZINC000901728501 663743783 /nfs/dbraw/zinc/74/37/83/663743783.db2.gz OBZUYBCFDNJOID-ZJUUUORDSA-N 1 0 398.692 2.626 20 0 GFADRO CC(C)[NH+]1CCC(NC(=O)CONC(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000902598080 663764168 /nfs/dbraw/zinc/76/41/68/663764168.db2.gz LADXYJMXYLSUMW-UHFFFAOYSA-N 1 0 388.295 2.644 20 0 GFADRO OCC[N@@H+]1CCC[C@@H]2[C@H]1CCN2Cn1nc(-c2ccccc2)sc1=S ZINC000902645407 663765110 /nfs/dbraw/zinc/76/51/10/663765110.db2.gz UNWMKFMPJVZNLN-HZPDHXFCSA-N 1 0 376.551 2.830 20 0 GFADRO C[C@@H]([NH2+]C1CCN(Cc2ccc(Br)cc2)CC1)c1cn(C)nn1 ZINC000902843809 663768518 /nfs/dbraw/zinc/76/85/18/663768518.db2.gz ZPTGGYGYNGQUIQ-CYBMUJFWSA-N 1 0 378.318 2.893 20 0 GFADRO O[C@@H](C[NH2+][C@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21)COc1ccccc1Br ZINC000902880067 663768972 /nfs/dbraw/zinc/76/89/72/663768972.db2.gz CBJJRXLEPVMSCW-HVQOGQCDSA-N 1 0 382.298 2.592 20 0 GFADRO O=S(=O)(NCC[NH2+][C@@H](c1ccccn1)C1CC1)c1ccc(F)cc1Cl ZINC000903164906 663776598 /nfs/dbraw/zinc/77/65/98/663776598.db2.gz JPEXPTIUYBCDQR-QGZVFWFLSA-N 1 0 383.876 2.893 20 0 GFADRO C[C@H]([NH2+]CC[C@]1(O)CCCOC1)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000903197002 663778113 /nfs/dbraw/zinc/77/81/13/663778113.db2.gz UKVUPCRDRKIRDX-SWLSCSKDSA-N 1 0 381.416 2.562 20 0 GFADRO Clc1ccc(I)c(C[NH2+][C@H]2CCO[C@]23CCOC3)c1 ZINC000903198743 663778273 /nfs/dbraw/zinc/77/82/73/663778273.db2.gz FJESYWXUBPVOPT-KBPBESRZSA-N 1 0 393.652 2.982 20 0 GFADRO Brc1cccc([C@H]([NH2+]CCN2CCCOCC2)[C@H]2CCOC2)c1 ZINC000903225863 663779162 /nfs/dbraw/zinc/77/91/62/663779162.db2.gz CIIHMYWPZYFPPU-WMZOPIPTSA-N 1 0 383.330 2.839 20 0 GFADRO CS(C)(=O)=NS(=O)(=O)CC[NH2+][C@@H]1CCC[C@H]1c1ccccc1Cl ZINC000903227937 663779393 /nfs/dbraw/zinc/77/93/93/663779393.db2.gz WLDQKEOTQSGJTE-DZGCQCFKSA-N 1 0 378.947 2.623 20 0 GFADRO CS(C)(=O)=NS(=O)(=O)CC[NH2+][C@@H](Cc1ccccc1)c1ccccc1 ZINC000903228780 663779459 /nfs/dbraw/zinc/77/94/59/663779459.db2.gz BERFPEOCZLHJRV-SFHVURJKSA-N 1 0 380.535 2.617 20 0 GFADRO CC[C@@H]([NH2+]CCS(=O)(=O)N=S(C)(C)=O)c1ccc(Br)cc1 ZINC000903230193 663779726 /nfs/dbraw/zinc/77/97/26/663779726.db2.gz WTWYCWBXTLWRIM-CYBMUJFWSA-N 1 0 397.360 2.547 20 0 GFADRO C[C@H]([NH2+]C[C@H]1CCCC[C@@H]1NS(C)(=O)=O)c1cncc(Br)c1 ZINC000903233601 663779952 /nfs/dbraw/zinc/77/99/52/663779952.db2.gz JCFYQHHJZREXKU-ZOWXZIJZSA-N 1 0 390.347 2.603 20 0 GFADRO C[C@@H]([NH2+][C@@H]1Cc2cc(Br)cnc2NC1=O)C1(Br)CC1 ZINC000903324649 663781928 /nfs/dbraw/zinc/78/19/28/663781928.db2.gz IKDSAGQUVQHCKU-GMSGAONNSA-N 1 0 389.091 2.613 20 0 GFADRO CO[C@@]1(C[NH2+][C@H]2CCCc3c4cccc(Cl)c4[nH]c32)CCS(=O)(=O)C1 ZINC000903363892 663782870 /nfs/dbraw/zinc/78/28/70/663782870.db2.gz SJBOAHUGLYEMND-MAUKXSAKSA-N 1 0 382.913 2.992 20 0 GFADRO O=c1cc(N2CC[C@H]([NH2+][C@H](c3nc(Br)cs3)C3CC3)C2)nc[nH]1 ZINC000903399528 663783782 /nfs/dbraw/zinc/78/37/82/663783782.db2.gz NPWWQXCZMSNUHX-HZMBPMFUSA-N 1 0 396.314 2.721 20 0 GFADRO C[C@H]([NH2+][C@H]1CCN(c2cn[nH]c(=O)c2Cl)C1)c1ccc([S@](C)=O)cc1 ZINC000903433914 663784643 /nfs/dbraw/zinc/78/46/43/663784643.db2.gz GWPXJSGGXYCSFS-YWXWOHLWSA-N 1 0 380.901 2.503 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCc2ncc(Br)n2C1)c1ccc2c(c1)OCC(=O)N2 ZINC000903479522 663785387 /nfs/dbraw/zinc/78/53/87/663785387.db2.gz KSCGQQPMLDQSMR-CMPLNLGQSA-N 1 0 391.269 2.642 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCc2ncc(Br)n2C1)C1(NC(=O)OC(C)(C)C)CC1 ZINC000903480109 663785507 /nfs/dbraw/zinc/78/55/07/663785507.db2.gz NZHPENWISAHEBC-NWDGAFQWSA-N 1 0 399.333 2.996 20 0 GFADRO COc1cc(Br)c(CN2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)cc1OC ZINC000903517421 663786689 /nfs/dbraw/zinc/78/66/89/663786689.db2.gz AOPJOXWPDDETJQ-MWLCHTKSSA-N 1 0 383.208 2.788 20 0 GFADRO [NH3+][C@@H]1CN(CCC(=O)Nc2ccc(Br)cc2F)C[C@H]1C(F)(F)F ZINC000903518094 663786736 /nfs/dbraw/zinc/78/67/36/663786736.db2.gz LTSMBCUUGJSGDT-MWLCHTKSSA-N 1 0 398.198 2.738 20 0 GFADRO [NH3+]CC1([C@@H]2CCCCN2S(=O)(=O)c2ccc(C(F)(F)F)cn2)CCC1 ZINC000903546245 663788255 /nfs/dbraw/zinc/78/82/55/663788255.db2.gz KSVDLQIIHXXEGO-ZDUSSCGKSA-N 1 0 377.432 2.773 20 0 GFADRO [NH3+][C@@H]1CN(S(=O)(=O)/C=C/c2ccccc2Br)C[C@H]1C(F)(F)F ZINC000903570406 663789070 /nfs/dbraw/zinc/78/90/70/663789070.db2.gz GMKSEQNFBJWQDG-PLWSPRCSSA-N 1 0 399.232 2.571 20 0 GFADRO Cc1cc(S(=O)(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)ccc1C(F)(F)F ZINC000903572750 663789311 /nfs/dbraw/zinc/78/93/11/663789311.db2.gz CXZGKXSDOABOHV-GHMZBOCLSA-N 1 0 376.322 2.524 20 0 GFADRO Cc1csc(C)c1S(=O)(=O)N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000903572123 663789321 /nfs/dbraw/zinc/78/93/21/663789321.db2.gz WDRSBVLDRIWYDZ-CRAIPNDOSA-N 1 0 378.519 2.899 20 0 GFADRO O=S(=O)(N[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1sccc1Cl ZINC000903573695 663789415 /nfs/dbraw/zinc/78/94/15/663789415.db2.gz LDZCHEHZZKBEJH-BBRMVZONSA-N 1 0 384.910 2.936 20 0 GFADRO [NH3+][C@H]1CN(S(=O)(=O)c2c(Cl)ccc(F)c2F)CC[C@H]1C(F)(F)F ZINC000903578068 663789817 /nfs/dbraw/zinc/78/98/17/663789817.db2.gz BFJYKOXRBJOLQY-MUWHJKNJSA-N 1 0 378.750 2.518 20 0 GFADRO [NH3+][C@H]1CN(S(=O)(=O)c2csnc2-c2ccccc2)CC[C@H]1C(F)(F)F ZINC000903581599 663790355 /nfs/dbraw/zinc/79/03/55/663790355.db2.gz NFLUWVFNOHQMPS-NEPJUHHUSA-N 1 0 391.440 2.710 20 0 GFADRO [NH3+]C[C@]12CC[C@H]1CCN2S(=O)(=O)c1oc2ccccc2c1Br ZINC000903587399 663790692 /nfs/dbraw/zinc/79/06/92/663790692.db2.gz ZCJWFWVHRZLDAX-ZUZCIYMTSA-N 1 0 385.283 2.697 20 0 GFADRO [NH3+]C[C@@H]1Cc2cc(F)ccc2N(S(=O)(=O)C[C@H]2CCCCC2(F)F)C1 ZINC000903589106 663790782 /nfs/dbraw/zinc/79/07/82/663790782.db2.gz SXGBTONQSXQEET-GXTWGEPZSA-N 1 0 376.444 2.918 20 0 GFADRO [NH3+]C[C@H]1Cc2cc(F)ccc2N(S(=O)(=O)C[C@H]2CCCCC2(F)F)C1 ZINC000903589109 663790876 /nfs/dbraw/zinc/79/08/76/663790876.db2.gz SXGBTONQSXQEET-TZMCWYRMSA-N 1 0 376.444 2.918 20 0 GFADRO C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)C(=O)N1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903720813 663804914 /nfs/dbraw/zinc/80/49/14/663804914.db2.gz TYMDYPBNBHRLAY-FRRDWIJNSA-N 1 0 386.323 2.956 20 0 GFADRO Brc1cccc([C@@H]2CN(C[C@@H]3CC4(CO3)CC[NH2+]CC4)CCO2)c1 ZINC000903726231 663805041 /nfs/dbraw/zinc/80/50/41/663805041.db2.gz LCAMGHDWEZSROF-ROUUACIJSA-N 1 0 395.341 2.981 20 0 GFADRO Brc1cccc([C@@H]2CN(C[C@@H]3C[C@@]4(CC[NH2+]C4)CO3)CCO2)c1 ZINC000903726479 663805124 /nfs/dbraw/zinc/80/51/24/663805124.db2.gz MBKZOKSMPVUGEU-OKZBNKHCSA-N 1 0 381.314 2.591 20 0 GFADRO Brc1ccc2c(c1)CN(C[C@H]1CC3(CO1)CC[NH2+]CC3)CCO2 ZINC000903758487 663805949 /nfs/dbraw/zinc/80/59/49/663805949.db2.gz LAJGTNPFLLKFTB-MRXNPFEDSA-N 1 0 381.314 2.802 20 0 GFADRO Brc1cccc([C@@H]2COCCN2C[C@H]2C[C@]3(CC[NH2+]C3)CO2)c1 ZINC000903767607 663806390 /nfs/dbraw/zinc/80/63/90/663806390.db2.gz XLCZHGJFFRPDIR-SQNIBIBYSA-N 1 0 381.314 2.591 20 0 GFADRO Brc1cc2c(cc1CN1CC[NH2+]CCC13CCOCC3)OCCO2 ZINC000903814721 663807472 /nfs/dbraw/zinc/80/74/72/663807472.db2.gz HQKITLBAFVXKRE-UHFFFAOYSA-N 1 0 397.313 2.565 20 0 GFADRO COCC[C@H]1C[NH2+]CCN1CC(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000903830865 663807657 /nfs/dbraw/zinc/80/76/57/663807657.db2.gz MPIXTOWJDBOGHY-JTQLQIEISA-N 1 0 380.703 2.896 20 0 GFADRO FC(F)(F)c1nc(Br)c2n1CCN(CC[C@@H]1CCC[NH2+]C1)C2 ZINC000903831361 663807692 /nfs/dbraw/zinc/80/76/92/663807692.db2.gz ITDVMWWIRGHDIL-JTQLQIEISA-N 1 0 381.240 2.870 20 0 GFADRO [NH3+]C[C@]12CC[C@H]1CCN2Cc1nc(Cc2cccc(Br)c2)no1 ZINC000903855558 663809074 /nfs/dbraw/zinc/80/90/74/663809074.db2.gz NNFUPFUBSWEFNS-SUMWQHHRSA-N 1 0 377.286 2.736 20 0 GFADRO CC(C)(NCc1cnnn1[C@H]1CCC[NH2+]C1)c1ccccc1Br ZINC000903902921 663810713 /nfs/dbraw/zinc/81/07/13/663810713.db2.gz PRKAYEKJFMJTBA-ZDUSSCGKSA-N 1 0 378.318 2.990 20 0 GFADRO Fc1cc(Br)cc2c1CN(Cc1cnnn1[C@@H]1CCC[NH2+]C1)CC2 ZINC000903916200 663811462 /nfs/dbraw/zinc/81/14/62/663811462.db2.gz RLMZZKOAJDHYHI-CQSZACIVSA-N 1 0 394.292 2.663 20 0 GFADRO CN(Cc1cnnn1[C@H]1CCC[NH2+]C1)Cc1ccc(Br)cc1F ZINC000903934377 663812580 /nfs/dbraw/zinc/81/25/80/663812580.db2.gz FVXSZCKNQUWYHM-AWEZNQCLSA-N 1 0 382.281 2.736 20 0 GFADRO O=S1(=O)CCNC[C@H]1CC[NH2+]Cc1ccc(-c2ccccc2Cl)s1 ZINC000903967933 663813949 /nfs/dbraw/zinc/81/39/49/663813949.db2.gz GUAXOGKMLZNDDR-CQSZACIVSA-N 1 0 384.954 2.935 20 0 GFADRO O=C(Nc1ccc(F)cc1Br)N1CC[NH2+]CCC12CCOCC2 ZINC000904295696 663830221 /nfs/dbraw/zinc/83/02/21/663830221.db2.gz VRNAIKUJIGIFMU-UHFFFAOYSA-N 1 0 386.265 2.965 20 0 GFADRO CCOc1ccc(Br)cc1NC(=O)N(C)C1(C[NH3+])CCOCC1 ZINC000904332534 663830786 /nfs/dbraw/zinc/83/07/86/663830786.db2.gz RAEPNSPNJYLHPU-UHFFFAOYSA-N 1 0 386.290 2.819 20 0 GFADRO O=C(Nc1ccc(Cl)cc1I)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000904376526 663831803 /nfs/dbraw/zinc/83/18/03/663831803.db2.gz ASIWOSHZYLPRRJ-JFUSQASVSA-N 1 0 391.640 2.959 20 0 GFADRO COc1cc(NC(=O)N2CC[C@H]3CC[C@]32C[NH3+])cc(OC)c1Br ZINC000904404785 663832814 /nfs/dbraw/zinc/83/28/14/663832814.db2.gz FUFVSFYRGDWFKJ-HWPZZCPQSA-N 1 0 384.274 2.811 20 0 GFADRO CN(C(=O)Nc1nnc(-c2cccc(Cl)c2)s1)C1(C[NH3+])CCOCC1 ZINC000904421872 663833673 /nfs/dbraw/zinc/83/36/73/663833673.db2.gz WCLURVQMCRHUKO-UHFFFAOYSA-N 1 0 381.889 2.830 20 0 GFADRO COCC[C@H]1C[NH2+]CCN1C(=O)Nc1cc(Br)c(F)cc1F ZINC000904432593 663834298 /nfs/dbraw/zinc/83/42/98/663834298.db2.gz CNFJKFOLPIITEA-VIFPVBQESA-N 1 0 378.217 2.570 20 0 GFADRO CN(C(=O)Nc1cc(-c2ccc(Cl)s2)nn1C)C1(C[NH3+])CCOCC1 ZINC000904454474 663835079 /nfs/dbraw/zinc/83/50/79/663835079.db2.gz WLRKBLWIWQFEPE-UHFFFAOYSA-N 1 0 383.905 2.774 20 0 GFADRO COCCOc1ccc(NC(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1Br ZINC000904548458 663837282 /nfs/dbraw/zinc/83/72/82/663837282.db2.gz KWXILXKESVQXTL-QWHCGFSZSA-N 1 0 398.301 2.548 20 0 GFADRO CC(C)([NH3+])c1ccc(NC(=O)NCCn2cc(Br)ccc2=O)cc1 ZINC000904599297 663838715 /nfs/dbraw/zinc/83/87/15/663838715.db2.gz YMBRGMGWJVYEFI-UHFFFAOYSA-N 1 0 393.285 2.626 20 0 GFADRO [NH3+]CCN1CCC[C@H](c2nc(CCc3c(Cl)cccc3Cl)no2)C1=O ZINC000904671730 663840108 /nfs/dbraw/zinc/84/01/08/663840108.db2.gz CPSORNKLCCXJIE-GFCCVEGCSA-N 1 0 383.279 2.826 20 0 GFADRO C[C@H](c1noc([C@@H]2CCCN(CC[NH3+])C2=O)n1)c1ccc(Br)cc1 ZINC000904679253 663840341 /nfs/dbraw/zinc/84/03/41/663840341.db2.gz ZRMGWTMYXNPNNT-FZMZJTMJSA-N 1 0 393.285 2.649 20 0 GFADRO CC(C)(C)[C@@H]([NH3+])Cc1nc(CC(=O)Nc2ccccc2Br)no1 ZINC000904691178 663841272 /nfs/dbraw/zinc/84/12/72/663841272.db2.gz WZJBHOKKPGPPDI-LBPRGKRZSA-N 1 0 381.274 2.929 20 0 GFADRO CSCC[C@H]([NH3+])Cc1nc(-c2cn3ccc(Br)cc3n2)no1 ZINC000904722530 663842385 /nfs/dbraw/zinc/84/23/85/663842385.db2.gz WPDBOOKUHRCNKU-JTQLQIEISA-N 1 0 382.287 2.770 20 0 GFADRO C[NH+]1CCC2(CC1)CC(=O)NN(c1cc(Cl)ccc1Br)C2=O ZINC000905027155 663849952 /nfs/dbraw/zinc/84/99/52/663849952.db2.gz XREISWAPLAKVTB-UHFFFAOYSA-N 1 0 386.677 2.582 20 0 GFADRO CC(C)(C)OC(=O)N1CCC([NH2+]C[C@](C)(O)C(F)(F)C(F)(F)F)CC1 ZINC000905047783 663850447 /nfs/dbraw/zinc/85/04/47/663850447.db2.gz AUGWWIRTQZASLU-ZDUSSCGKSA-N 1 0 376.366 2.924 20 0 GFADRO O[C@H](CCC1(O)CCC1)C[NH2+][C@H]1CCN(c2ccccc2Br)C1 ZINC000905102776 663853296 /nfs/dbraw/zinc/85/32/96/663853296.db2.gz GUXZGOFLKJNYRI-LSDHHAIUSA-N 1 0 383.330 2.674 20 0 GFADRO CSC[C@H](C)[NH2+]C[C@H](O)c1ccc2c(c1)CN(C(=O)C(F)(F)F)CC2 ZINC000905128608 663854307 /nfs/dbraw/zinc/85/43/07/663854307.db2.gz SPHYIOPBPRBVNP-NHYWBVRUSA-N 1 0 376.444 2.508 20 0 GFADRO Cc1cc(S(N)(=O)=O)ccc1C[NH2+]C[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC000905238104 663861672 /nfs/dbraw/zinc/86/16/72/663861672.db2.gz NUVBFFVYMGPZLR-MRXNPFEDSA-N 1 0 389.304 2.772 20 0 GFADRO CC1(C)C[NH2+][C@H]1C1CCN(S(=O)(=O)c2cscc2Br)CC1 ZINC000905355352 663867300 /nfs/dbraw/zinc/86/73/00/663867300.db2.gz CZMUFQQKDSNEMM-ZDUSSCGKSA-N 1 0 393.372 2.909 20 0 GFADRO C[C@](O)(C[NH2+][C@@H](CO)C[C@H]1CCCO1)c1ccc(Br)cc1Cl ZINC000905460359 663872569 /nfs/dbraw/zinc/87/25/69/663872569.db2.gz LNODITUKKXCUGW-IOASZLSFSA-N 1 0 392.721 2.830 20 0 GFADRO C[C@@](O)(C[NH2+]CC[C@@H]1CCC2(CCOCC2)CO1)C(F)(F)C(F)(F)F ZINC000905472106 663873161 /nfs/dbraw/zinc/87/31/61/663873161.db2.gz CXQHDLYNBJZAHS-QWHCGFSZSA-N 1 0 375.378 2.891 20 0 GFADRO Cn1cc(C[NH2+]C[C@H](O)Cc2ccc(C(F)(F)F)cc2)c(Br)n1 ZINC000905520599 663876045 /nfs/dbraw/zinc/87/60/45/663876045.db2.gz KJQQPOYUEOEFCY-CYBMUJFWSA-N 1 0 392.219 2.895 20 0 GFADRO CS(=O)(=O)c1ccccc1CC[NH2+]C[C@@H](O)c1ccc(Br)cc1 ZINC000905555679 663878309 /nfs/dbraw/zinc/87/83/09/663878309.db2.gz JXKFHWCTGIBFAF-MRXNPFEDSA-N 1 0 398.322 2.718 20 0 GFADRO O[C@@H](C[NH2+]Cc1c(Cl)cc(Br)cc1Cl)C[C@@]1(O)CCOC1 ZINC000905616943 663881645 /nfs/dbraw/zinc/88/16/45/663881645.db2.gz AYQGSVAWTXHMHM-YGRLFVJLSA-N 1 0 399.112 2.748 20 0 GFADRO O[C@H](C[NH2+]C[C@@H]1CCN1C1CCOCC1)COc1c(Cl)cccc1Cl ZINC000905620084 663882052 /nfs/dbraw/zinc/88/20/52/663882052.db2.gz BICHFUHBRUWQIP-LSDHHAIUSA-N 1 0 389.323 2.576 20 0 GFADRO COC(=O)c1cc2n(n1)CCC[C@@H]2[NH2+]C[C@@H](O)c1ccc(Br)cc1 ZINC000905669774 663884846 /nfs/dbraw/zinc/88/48/46/663884846.db2.gz WWOCVTKTTVALNG-XJKSGUPXSA-N 1 0 394.269 2.590 20 0 GFADRO COc1nn(C)cc1C[NH2+]C[C@](C)(O)c1ccc(Br)cc1Cl ZINC000905674495 663885369 /nfs/dbraw/zinc/88/53/69/663885369.db2.gz HHEVWDAEOYDRAW-HNNXBMFYSA-N 1 0 388.693 2.842 20 0 GFADRO O[C@@H](C[NH2+]C[C@]12C[C@H]1COC21CCC1)COc1ccc(Br)cc1 ZINC000905685669 663886339 /nfs/dbraw/zinc/88/63/39/663886339.db2.gz HWQFOIUMBMQGOP-JLJPHGGASA-N 1 0 382.298 2.738 20 0 GFADRO COC(=O)c1c(Cl)ccc(NC(=O)COC2CC[NH+](C)CC2)c1Cl ZINC000906069375 663920734 /nfs/dbraw/zinc/92/07/34/663920734.db2.gz FPRWBAPFKUNKMS-UHFFFAOYSA-N 1 0 375.252 2.829 20 0 GFADRO C[C@H](CNC(=O)c1cc(Br)cn(C2CC2)c1=O)[NH+]1CCCCC1 ZINC000906353743 663940834 /nfs/dbraw/zinc/94/08/34/663940834.db2.gz YIFXOGPSHIZVTQ-GFCCVEGCSA-N 1 0 382.302 2.550 20 0 GFADRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)c1nscc1I ZINC000906816809 663973454 /nfs/dbraw/zinc/97/34/54/663973454.db2.gz HXYKMSQMCWUXRN-SNVBAGLBSA-N 1 0 393.294 2.694 20 0 GFADRO O=S(=O)(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1c[nH]c2cc(Br)ccc21 ZINC000906846925 663976327 /nfs/dbraw/zinc/97/63/27/663976327.db2.gz VTYMTMBTKNIOSD-CHWSQXEVSA-N 1 0 398.326 2.836 20 0 GFADRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)C[C@H](O)C(Cl)(Cl)Cl)CC1 ZINC000907102109 664002134 /nfs/dbraw/zinc/00/21/34/664002134.db2.gz SEMSNZAOBXGZOK-FZMZJTMJSA-N 1 0 394.730 2.844 20 0 GFADRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)c1cc(Br)cn(C2CC2)c1=O ZINC000907170377 664008865 /nfs/dbraw/zinc/00/88/65/664008865.db2.gz FHOKAEVSUQIGJG-GFCCVEGCSA-N 1 0 396.329 2.748 20 0 GFADRO C[NH+](C)[C@H]1C[C@@H](CNS(=O)(=O)c2c[nH]c3cc(Br)ccc32)C1 ZINC000907268338 664017396 /nfs/dbraw/zinc/01/73/96/664017396.db2.gz WVCDEMKKKMNZLK-KLPPZKSPSA-N 1 0 386.315 2.549 20 0 GFADRO O=S(=O)(NC1CC[NH+](C2CCOCC2)CC1)c1cc(Cl)cc(Cl)c1 ZINC000907331040 664024164 /nfs/dbraw/zinc/02/41/64/664024164.db2.gz VJHLFOFMKPEYJC-UHFFFAOYSA-N 1 0 393.336 2.915 20 0 GFADRO Cc1cc(CS(=O)(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccc(C)s3)C2)no1 ZINC000907343341 664025731 /nfs/dbraw/zinc/02/57/31/664025731.db2.gz BOIDVFKERIGSIK-HNNXBMFYSA-N 1 0 383.539 2.637 20 0 GFADRO Cc1ccc(C[N@H+]2CC[C@H](CN(C)S(=O)(=O)[C@H]3CCO[C@@H](C)C3)C2)s1 ZINC000907346483 664026464 /nfs/dbraw/zinc/02/64/64/664026464.db2.gz NPSOESURYZJSKJ-LESCRADOSA-N 1 0 386.583 2.708 20 0 GFADRO C[NH+]1CCC2(CCN2S(=O)(=O)c2cccc(Br)c2Cl)CC1 ZINC000907855567 664066112 /nfs/dbraw/zinc/06/61/12/664066112.db2.gz MGKOPJBJSLLQOR-UHFFFAOYSA-N 1 0 393.734 2.961 20 0 GFADRO C[NH+]1CCC2(CCN2S(=O)(=O)c2c[nH]c3cc(Br)ccc32)CC1 ZINC000907856578 664066389 /nfs/dbraw/zinc/06/63/89/664066389.db2.gz BGQDAZHAXDPFCR-UHFFFAOYSA-N 1 0 398.326 2.789 20 0 GFADRO COC(=O)c1cc(NC(=O)[C@@]23CC[N@H+](C2)CCC3)c(C)cc1Br ZINC000908201018 664091301 /nfs/dbraw/zinc/09/13/01/664091301.db2.gz MTXJRSJTYMHQTG-KRWDZBQOSA-N 1 0 381.270 2.969 20 0 GFADRO CC(C)n1cc(Br)c(C(=O)N2CCC([N@@H+]3CCOC[C@H]3C)CC2)n1 ZINC000908316565 664098692 /nfs/dbraw/zinc/09/86/92/664098692.db2.gz REOGZWCCSIDBEZ-CYBMUJFWSA-N 1 0 399.333 2.552 20 0 GFADRO C[C@@H](NC(=O)C[C@@]1(O)CCC[N@H+](C)C1)c1ccc(C(F)(F)F)nc1Cl ZINC000908407270 664104603 /nfs/dbraw/zinc/10/46/03/664104603.db2.gz VFUUWISEQWMTEH-BMIGLBTASA-N 1 0 379.810 2.778 20 0 GFADRO CC(C)[NH2+]C1(CO)CCN(C(=O)c2ccc(SC(F)(F)F)nc2)CC1 ZINC000908609659 664117801 /nfs/dbraw/zinc/11/78/01/664117801.db2.gz HALQIXAVQLYARR-UHFFFAOYSA-N 1 0 377.432 2.659 20 0 GFADRO CC(C)[NH+]1CCN(CCCC(=O)Nc2cccc(O)c2Br)CC1 ZINC000908708673 664122488 /nfs/dbraw/zinc/12/24/88/664122488.db2.gz ZYEAZJFQNIKFHW-UHFFFAOYSA-N 1 0 384.318 2.899 20 0 GFADRO O=C(Nc1cccc(O)c1Br)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000908712229 664122993 /nfs/dbraw/zinc/12/29/93/664122993.db2.gz GEUPAVVCYSYYRR-GOSISDBHSA-N 1 0 391.265 2.730 20 0 GFADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCc2[nH]cnc2[C@@H]1c1ccc(Br)cc1 ZINC000911249712 664240071 /nfs/dbraw/zinc/24/00/71/664240071.db2.gz NMPGJNIFIAFMFN-RDJZCZTQSA-N 1 0 389.297 2.741 20 0 GFADRO C[NH2+]C[C@@H]1CCCN(C(=O)[C@H](C)c2ccc(I)cc2)C1 ZINC000911633972 664250951 /nfs/dbraw/zinc/25/09/51/664250951.db2.gz KSIRJWRYZBVPRU-OLZOCXBDSA-N 1 0 386.277 2.853 20 0 GFADRO O=C(C[C@H]1C(=O)Nc2ccc(Br)cc21)N(C1CC1)C1CC[NH2+]CC1 ZINC000911676308 664252479 /nfs/dbraw/zinc/25/24/79/664252479.db2.gz GJRWPRDOOCZZOG-OAHLLOKOSA-N 1 0 392.297 2.618 20 0 GFADRO Cc1cc(C(=O)NC2CCC([NH3+])CC2)nn1-c1ccccc1Br ZINC000911728117 664254503 /nfs/dbraw/zinc/25/45/03/664254503.db2.gz RIGWVFXCJMEGOT-UHFFFAOYSA-N 1 0 377.286 2.943 20 0 GFADRO CC[NH2+]CCNC(=O)c1cnc(-c2cc(Br)ccc2OC)s1 ZINC000911751292 664255127 /nfs/dbraw/zinc/25/51/27/664255127.db2.gz VQLMFEDINNVUFC-UHFFFAOYSA-N 1 0 384.299 2.921 20 0 GFADRO CCCN(C(=O)c1nnn(-c2ccccc2Br)c1C)[C@H]1CC[NH2+]C1 ZINC000911766194 664256091 /nfs/dbraw/zinc/25/60/91/664256091.db2.gz CMIXMGJNBHOFIV-ZDUSSCGKSA-N 1 0 392.301 2.552 20 0 GFADRO C[C@H]1CN(C(=O)c2ccc(Cn3cc(Br)cn3)s2)CC[C@@H]1[NH3+] ZINC000911818636 664256911 /nfs/dbraw/zinc/25/69/11/664256911.db2.gz MZFGBUXVSVLKEH-GWCFXTLKSA-N 1 0 383.315 2.565 20 0 GFADRO C[C@H]1CCCN(C(=O)c2ccc(Cn3cc(Br)cn3)s2)[C@H]1C[NH3+] ZINC000911828243 664257705 /nfs/dbraw/zinc/25/77/05/664257705.db2.gz YYBLDPLRSMXDGY-FZMZJTMJSA-N 1 0 397.342 2.955 20 0 GFADRO C[NH+]1CCC(N(CCO)C(=O)c2cnc(-c3cccc(Cl)c3)s2)CC1 ZINC000911947964 664263306 /nfs/dbraw/zinc/26/33/06/664263306.db2.gz VDNHIEIGENRQTP-UHFFFAOYSA-N 1 0 379.913 2.992 20 0 GFADRO C[C@]1(C(=O)Nc2nc(-c3cccc(Br)c3)cs2)C[C@@H](O)C[NH2+]1 ZINC000911967736 664264215 /nfs/dbraw/zinc/26/42/15/664264215.db2.gz LXFLIFBZSXOZDI-IAQYHMDHSA-N 1 0 382.283 2.624 20 0 GFADRO CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)C12CC(C1)C[NH2+]2 ZINC000912023925 664267082 /nfs/dbraw/zinc/26/70/82/664267082.db2.gz UDQWGNLJXGWAGZ-UHFFFAOYSA-N 1 0 375.778 2.508 20 0 GFADRO O=C(Nc1ccnn1Cc1ccc(Br)cc1)C1=CCC[NH2+]CC1 ZINC000912114051 664270931 /nfs/dbraw/zinc/27/09/31/664270931.db2.gz SQLKZVOSOAPJST-UHFFFAOYSA-N 1 0 375.270 2.942 20 0 GFADRO [NH3+][C@H](CC(=O)Nc1ccc(CCO)cc1)Cc1ccc(Br)cc1 ZINC000912239535 664277006 /nfs/dbraw/zinc/27/70/06/664277006.db2.gz OLABFWNBUQOPDR-INIZCTEOSA-N 1 0 377.282 2.883 20 0 GFADRO COc1ccc(NC(=O)Cc2csc(C[NH3+])n2)cc1OCC(F)(F)F ZINC000912349921 664283080 /nfs/dbraw/zinc/28/30/80/664283080.db2.gz HUSBQYCIZXRWFK-UHFFFAOYSA-N 1 0 375.372 2.733 20 0 GFADRO CC[NH+](CC)CCOC(=O)c1cc(S(=O)(=O)N(C)C(C)C)ccc1Cl ZINC000912578230 664293644 /nfs/dbraw/zinc/29/36/44/664293644.db2.gz RMXXDHOFOFYHEN-UHFFFAOYSA-N 1 0 390.933 2.868 20 0 GFADRO C[C@H](C[NH+](C)C)[C@H]1CCCCN1C(=O)c1nccn2c(Br)cnc12 ZINC000912809691 664303388 /nfs/dbraw/zinc/30/33/88/664303388.db2.gz KDDNGRAOLPPRDK-CHWSQXEVSA-N 1 0 394.317 2.684 20 0 GFADRO Cn1nc2cc(Br)ccc2c1C(=O)N1CCC([NH+]2CCC2)CC1 ZINC000912870718 664306808 /nfs/dbraw/zinc/30/68/08/664306808.db2.gz GGHUNKUOTKZBHU-UHFFFAOYSA-N 1 0 377.286 2.646 20 0 GFADRO O=C(Nc1n[nH]cc1I)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000912888963 664308825 /nfs/dbraw/zinc/30/88/25/664308825.db2.gz QNZKGKNYHQSSPQ-SNVBAGLBSA-N 1 0 388.253 2.607 20 0 GFADRO Cc1cc(C(=O)N2CC[C@@H]([NH+]3CCC3)C2)nn1-c1ccc(Br)cc1 ZINC000912916611 664309849 /nfs/dbraw/zinc/30/98/49/664309849.db2.gz ZJJUEWXTYBUDBW-MRXNPFEDSA-N 1 0 389.297 2.863 20 0 GFADRO COc1nsc(CNC(=O)[C@H](C)[NH+]2[C@@H](C)CC[C@@H]2C)c1Br ZINC000912946995 664313392 /nfs/dbraw/zinc/31/33/92/664313392.db2.gz VUFAQOQLVDYVGH-GUBZILKMSA-N 1 0 376.320 2.792 20 0 GFADRO C[N@@H+]1C[C@@]2(C)CN(C(=O)Cc3csc(CCC(F)(F)F)n3)C[C@@]2(C)C1 ZINC000913270378 664330343 /nfs/dbraw/zinc/33/03/43/664330343.db2.gz XDXZXRLJQDMOSD-IYBDPMFKSA-N 1 0 375.460 2.981 20 0 GFADRO Cn1nc2cc(Br)ccc2c1C(=O)N1C[C@]2(C)C[N@H+](C)C[C@]2(C)C1 ZINC000913276175 664330996 /nfs/dbraw/zinc/33/09/96/664330996.db2.gz YEMPTXMOSUKRIS-HDICACEKSA-N 1 0 391.313 2.750 20 0 GFADRO CC(=O)N[C@H](C(=O)N1CCC(C)([NH+](C)C)CC1)c1cccc(Br)c1 ZINC000913386287 664334324 /nfs/dbraw/zinc/33/43/24/664334324.db2.gz AMRQLCMWYLYZKC-INIZCTEOSA-N 1 0 396.329 2.569 20 0 GFADRO CC1([NH+]2CCCC2)CCN(C(=O)[C@@H](O)c2cccc(Br)c2)CC1 ZINC000913647298 664347597 /nfs/dbraw/zinc/34/75/97/664347597.db2.gz KHZVTXAFQQRZFM-INIZCTEOSA-N 1 0 381.314 2.959 20 0 GFADRO C[NH+](C)CC1(O)CCN(C(=O)COc2c(Cl)cc(Cl)cc2Cl)CC1 ZINC000913677222 664348946 /nfs/dbraw/zinc/34/89/46/664348946.db2.gz FXTGQQQJOBCOCO-UHFFFAOYSA-N 1 0 395.714 2.941 20 0 GFADRO C[NH+](C)CC1(O)CCN(C(=O)c2c(Cl)cccc2Br)CC1 ZINC000913676003 664348977 /nfs/dbraw/zinc/34/89/77/664348977.db2.gz JEABNTSIBIWPCA-UHFFFAOYSA-N 1 0 375.694 2.631 20 0 GFADRO CC[N@@H+]1CCC[C@@H](CNS(=O)(=O)Cc2cccc(F)c2Br)C1 ZINC000914026207 664372672 /nfs/dbraw/zinc/37/26/72/664372672.db2.gz SMOGAEXKCBKCOH-LBPRGKRZSA-N 1 0 393.322 2.740 20 0 GFADRO O=S(=O)(C[C@@]12CC[N@H+](C1)CCC2)N[C@@H](c1nccs1)c1ccccc1 ZINC000914062626 664373729 /nfs/dbraw/zinc/37/37/29/664373729.db2.gz GLOQLKZKHXIMLU-AEFFLSMTSA-N 1 0 377.535 2.638 20 0 GFADRO CC[NH+](CC)[C@@H](C)CNC(=O)N1CCC[C@@H]1c1ncc(Br)cn1 ZINC000914069687 664374069 /nfs/dbraw/zinc/37/40/69/664374069.db2.gz YVMYLKBINYDJCV-GXTWGEPZSA-N 1 0 384.322 2.816 20 0 GFADRO C[C@H]1C[C@@H](N(C)S(=O)(=O)Cc2ccsc2Br)CC[N@@H+]1C ZINC000914179856 664383638 /nfs/dbraw/zinc/38/36/38/664383638.db2.gz WIZQTPXKNYOZHR-JQWIXIFHSA-N 1 0 381.361 2.755 20 0 GFADRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2S(=O)(=O)Cc2ccsc2Br)C1 ZINC000914268208 664392866 /nfs/dbraw/zinc/39/28/66/664392866.db2.gz UUWXVUUQANSNHO-AAEUAGOBSA-N 1 0 393.372 2.757 20 0 GFADRO C[NH+]1CCC2(CCCN(S(=O)(=O)c3occc3Br)C2)CC1 ZINC000915200125 664423335 /nfs/dbraw/zinc/42/33/35/664423335.db2.gz WLERLBKMOCKPRF-UHFFFAOYSA-N 1 0 377.304 2.539 20 0 GFADRO COCC[N@@H+]1CCCN(C(=O)/C=C/c2ccc(C)cc2Br)CC1 ZINC000915707210 664438471 /nfs/dbraw/zinc/43/84/71/664438471.db2.gz QZAOSJJEJCDGNG-VOTSOKGWSA-N 1 0 381.314 2.951 20 0 GFADRO CSC1(CNS(=O)(=O)c2cc(F)ccc2OC(C)C)CC[NH+](C)CC1 ZINC000915735915 664439861 /nfs/dbraw/zinc/43/98/61/664439861.db2.gz VWMODACJGUCEAJ-UHFFFAOYSA-N 1 0 390.546 2.719 20 0 GFADRO COC(=O)c1ccc(C[NH2+]CC(=O)Nc2ccc(Br)cc2)cc1 ZINC000916570844 664465189 /nfs/dbraw/zinc/46/51/89/664465189.db2.gz XSQCFPRMTMTRFB-UHFFFAOYSA-N 1 0 377.238 2.964 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(S(=O)(=O)c3oc4ccccc4c3Br)C[C@@H]2C1 ZINC000916660626 664468283 /nfs/dbraw/zinc/46/82/83/664468283.db2.gz UHWUTDXWYQQSQD-NEPJUHHUSA-N 1 0 399.310 2.768 20 0 GFADRO Cc1ccc(NC(=O)C(=O)NC[C@@H](C)[NH+]2CCCCC2)c(Br)c1 ZINC000918465053 664499394 /nfs/dbraw/zinc/49/93/94/664499394.db2.gz JMOZPZNZQULHRA-CYBMUJFWSA-N 1 0 382.302 2.687 20 0 GFADRO CN(Cc1ncc(Br)cn1)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000919151268 664508707 /nfs/dbraw/zinc/50/87/07/664508707.db2.gz QPKBOUXZMMMIQM-ZDUSSCGKSA-N 1 0 386.338 2.747 20 0 GFADRO O[C@@H](C[NH2+]C[C@H](O)c1ccco1)COc1ccc(Cl)cc1Br ZINC000920091898 664522090 /nfs/dbraw/zinc/52/20/90/664522090.db2.gz UCIFTOGFNNZIJJ-AAEUAGOBSA-N 1 0 390.661 2.758 20 0 GFADRO C[C@@H](CNC(=O)CCN1C(=S)N=NC1c1cccs1)[NH+]1CCCCC1 ZINC000920458311 664526326 /nfs/dbraw/zinc/52/63/26/664526326.db2.gz GPJBSQZKMLDCCM-ZDUSSCGKSA-N 1 0 379.555 2.676 20 0 GFADRO O=S(=O)(Cc1ccccc1)NCC[NH2+]Cc1cccc(Br)c1 ZINC000921197675 664538999 /nfs/dbraw/zinc/53/89/99/664538999.db2.gz UQMPGZVTKWIGQC-UHFFFAOYSA-N 1 0 383.311 2.658 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)N2CCC[C@@H]2c2ncc(Br)cn2)C[N@@H+]1C1CC1 ZINC000921384688 664545145 /nfs/dbraw/zinc/54/51/45/664545145.db2.gz VEWBQOVOEYNZJC-UXIGCNINSA-N 1 0 394.317 2.711 20 0 GFADRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N1CCC[C@H]1c1ncc(Br)cn1 ZINC000921434408 664548466 /nfs/dbraw/zinc/54/84/66/664548466.db2.gz IGMSHIIZNRVSJG-UGFHNGPFSA-N 1 0 394.317 2.568 20 0 GFADRO C[NH+](C)CC[C@H](NS(=O)(=O)c1ccccc1Br)c1cccnc1 ZINC000921479038 664549886 /nfs/dbraw/zinc/54/98/86/664549886.db2.gz AASWKIYILIBGJQ-HNNXBMFYSA-N 1 0 398.326 2.815 20 0 GFADRO C[NH+](C)CC[C@H](NS(=O)(=O)c1ccc2ncsc2c1)c1cccnc1 ZINC000921480306 664550195 /nfs/dbraw/zinc/55/01/95/664550195.db2.gz FMYCZVPZKQOQFB-HNNXBMFYSA-N 1 0 376.507 2.663 20 0 GFADRO C[NH+](C)CC[C@@H](NS(=O)(=O)c1ccc(Cl)nc1Cl)c1cccnc1 ZINC000921482665 664550327 /nfs/dbraw/zinc/55/03/27/664550327.db2.gz RZBIMWJUUBRPHP-GFCCVEGCSA-N 1 0 389.308 2.755 20 0 GFADRO Cc1cccc(C[NH2+][C@@H]2CCN(S(C)(=O)=O)C[C@H]2C)c1Br ZINC000921801996 664569808 /nfs/dbraw/zinc/56/98/08/664569808.db2.gz YVTNGZCOCLPWIP-TZMCWYRMSA-N 1 0 375.332 2.517 20 0 GFADRO O=S1(=O)CCC[C@H]1C[NH2+]Cc1cc2c(cc(F)cc2Br)[nH]1 ZINC000921860483 664573721 /nfs/dbraw/zinc/57/37/21/664573721.db2.gz HGLJHWOIEXTYSP-NSHDSACASA-N 1 0 375.263 2.736 20 0 GFADRO C[C@H](NC(=O)NC1(c2ncc(Br)cn2)CCC1)C1=CC[N@H+](C)CC1 ZINC000921877961 664574582 /nfs/dbraw/zinc/57/45/82/664574582.db2.gz HZZSJBILRPJMSK-LBPRGKRZSA-N 1 0 394.317 2.568 20 0 GFADRO O=S(=O)(NCC[NH2+][C@@H]1CC[C@@H]2COCC[C@@H]2C1)c1ccc(F)cc1Cl ZINC000922108857 664586002 /nfs/dbraw/zinc/58/60/02/664586002.db2.gz LXJDTQCJMPJDIN-UMVBOHGHSA-N 1 0 390.908 2.552 20 0 GFADRO CCn1c(C[NH2+]C[C@H](O)C2CCC2)nc(Br)c1Br ZINC000922168231 664588676 /nfs/dbraw/zinc/58/86/76/664588676.db2.gz MGZDENVVPRINNK-VIFPVBQESA-N 1 0 381.112 2.679 20 0 GFADRO Cc1nc(C[NH2+]CC(C)(C)[C@H]2COCC23OCCO3)sc1Br ZINC000922177286 664588920 /nfs/dbraw/zinc/58/89/20/664588920.db2.gz HPPSDSAGMOPYPG-LLVKDONJSA-N 1 0 391.331 2.719 20 0 GFADRO CCn1c(Br)c(Br)nc1CNCC1([NH+](C)C)CC1 ZINC000922191308 664589819 /nfs/dbraw/zinc/58/98/19/664589819.db2.gz SJTDNVXIYCIOCG-UHFFFAOYSA-N 1 0 380.128 2.612 20 0 GFADRO OC1(CC[NH2+]Cc2nc(Br)c[nH]2)CCN(c2ccccc2)CC1 ZINC000922306080 664594160 /nfs/dbraw/zinc/59/41/60/664594160.db2.gz VQMSDMCFPARZDW-UHFFFAOYSA-N 1 0 379.302 2.683 20 0 GFADRO Cc1nc(CN[C@@H]2C[C@]3(C[N@@H+](C)[C@H]3C(C)C)C[C@H]2O)sc1Br ZINC000922391233 664598492 /nfs/dbraw/zinc/59/84/92/664598492.db2.gz VBZKQTBJGJGNDL-UNIGVISCSA-N 1 0 388.375 2.783 20 0 GFADRO COc1ccc(Br)cc1C[NH2+]C[C@@H]1CCO[C@@H]1c1nnc(C)[nH]1 ZINC000922409759 664600306 /nfs/dbraw/zinc/60/03/06/664600306.db2.gz HNSUPDWCDLAIIY-NHYWBVRUSA-N 1 0 381.274 2.752 20 0 GFADRO CC(C)[N@@H+](C)C[C@H](C)NC(=O)NC1(c2ncc(Br)cn2)CCC1 ZINC000922517645 664605339 /nfs/dbraw/zinc/60/53/39/664605339.db2.gz OHGQSNMXZHEYLC-LBPRGKRZSA-N 1 0 384.322 2.646 20 0 GFADRO CO[C@]1(C[NH2+]C/C(C)=C/c2ccccc2C(F)(F)F)CCS(=O)(=O)C1 ZINC000922619645 664608613 /nfs/dbraw/zinc/60/86/13/664608613.db2.gz SGUONYFFYWTOHO-WQMJKPAKSA-N 1 0 377.428 2.902 20 0 GFADRO OC1(C[NH2+]Cc2c(Cl)nc3cc(Cl)ccn32)CCC2(CC1)OCCO2 ZINC000922622256 664608899 /nfs/dbraw/zinc/60/88/99/664608899.db2.gz VHHSYMYVVWYCEF-UHFFFAOYSA-N 1 0 386.279 2.779 20 0 GFADRO COc1ccc(C[NH2+]CC2(O)CCC3(CC2)OCCO3)c(Br)c1 ZINC000922622711 664608925 /nfs/dbraw/zinc/60/89/25/664608925.db2.gz ZBPVLGIVAGCFPJ-UHFFFAOYSA-N 1 0 386.286 2.596 20 0 GFADRO CSc1ccc([C@H](CNC(=O)NCc2cnc(Cl)cn2)[NH+](C)C)cc1 ZINC000922638344 664609279 /nfs/dbraw/zinc/60/92/79/664609279.db2.gz FJSZWPKBZKXNQZ-HNNXBMFYSA-N 1 0 379.917 2.954 20 0 GFADRO CS(=O)(=O)C[C@H](O)C[NH2+]Cc1ccccc1Oc1ccc(F)c(Cl)c1 ZINC000922821376 664615543 /nfs/dbraw/zinc/61/55/43/664615543.db2.gz AXYPFHXGORFLIR-CYBMUJFWSA-N 1 0 387.860 2.767 20 0 GFADRO CC(C)(C)OC(=O)N[C@H](C[NH2+]Cc1nc2c(s1)COCC2)CC(F)F ZINC000922961035 664620132 /nfs/dbraw/zinc/62/01/32/664620132.db2.gz XSRPRFHZULLGDN-JTQLQIEISA-N 1 0 377.457 2.854 20 0 GFADRO O=C(Nc1cc(Br)cc2c1NC(=O)CO2)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC000923024891 664621457 /nfs/dbraw/zinc/62/14/57/664621457.db2.gz IXMPBMWYPAQYFU-AAEUAGOBSA-N 1 0 394.269 2.735 20 0 GFADRO CC(C)(C)[C@H](CN)[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000923371590 664629095 /nfs/dbraw/zinc/62/90/95/664629095.db2.gz ZFQJITYYNQOIPI-RISCZKNCSA-N 1 0 379.726 2.805 20 0 GFADRO O[C@@H](COc1ccc(Cl)cc1Br)CN1CC[C@@]2(CCC[NH2+]2)C1 ZINC000923380596 664629199 /nfs/dbraw/zinc/62/91/99/664629199.db2.gz PUPOFFYCSDHVNR-CJNGLKHVSA-N 1 0 389.721 2.670 20 0 GFADRO OCC[NH2+][C@H]1CCCN(Cc2ncc(-c3ccc(Br)cc3)o2)C1 ZINC000923405398 664629943 /nfs/dbraw/zinc/62/99/43/664629943.db2.gz DBXPUTQBCYGKND-HNNXBMFYSA-N 1 0 380.286 2.650 20 0 GFADRO [NH3+]C[C@@H]1CN(C[C@@H](O)COc2cc(Cl)ccc2Cl)C[C@H]1C(F)(F)F ZINC000923423935 664630217 /nfs/dbraw/zinc/63/02/17/664630217.db2.gz CUHMVZILWBKTDL-YUSALJHKSA-N 1 0 387.229 2.802 20 0 GFADRO O=S(=O)(c1cnc(-c2ccccc2)s1)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000923642969 664634985 /nfs/dbraw/zinc/63/49/85/664634985.db2.gz CSFQGGFCDHQTSK-CVEARBPZSA-N 1 0 377.535 2.963 20 0 GFADRO CN(C1CC[NH2+]CC1)S(=O)(=O)N1CCC[C@]1(C)Cc1cc(Cl)cs1 ZINC000923730879 664637099 /nfs/dbraw/zinc/63/70/99/664637099.db2.gz HJZJVLVKGOJPLI-MRXNPFEDSA-N 1 0 391.990 2.727 20 0 GFADRO C[C@@]1(CS(=O)(=O)N[C@H]2C[C@@](C[NH3+])(c3ccccc3)C2)CC1(Cl)Cl ZINC000923738328 664637244 /nfs/dbraw/zinc/63/72/44/664637244.db2.gz AOCQQZTXROXQSH-SOUVJXGZSA-N 1 0 377.337 2.549 20 0 GFADRO [NH3+]CC[C@@H]1Cc2ccccc2N(S(=O)(=O)c2ccc(Br)o2)C1 ZINC000923744396 664637545 /nfs/dbraw/zinc/63/75/45/664637545.db2.gz HHVJMLQDFQNUJG-LLVKDONJSA-N 1 0 385.283 2.759 20 0 GFADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)NCC1CSC1 ZINC000923817316 664638429 /nfs/dbraw/zinc/63/84/29/664638429.db2.gz ZOPWIJFYVNONRM-UHFFFAOYSA-N 1 0 386.359 2.885 20 0 GFADRO C[NH+](C)CC1(c2nc(Cc3cc4c(cc3Br)OCO4)no2)CC1 ZINC000923869104 664639048 /nfs/dbraw/zinc/63/90/48/664639048.db2.gz OKPVGSPXXIIWLS-UHFFFAOYSA-N 1 0 380.242 2.745 20 0 GFADRO C[NH+](C)CC[C@H](NC(=O)NCc1ncc(Br)s1)c1cccnc1 ZINC000923947397 664640781 /nfs/dbraw/zinc/64/07/81/664640781.db2.gz UNZDXKFYRAIEDE-LBPRGKRZSA-N 1 0 398.330 2.793 20 0 GFADRO C[NH+](C)CCN(Cc1ccsc1)C(=O)NC[C@H]1CC[C@H](C(F)(F)F)O1 ZINC000924520707 664656765 /nfs/dbraw/zinc/65/67/65/664656765.db2.gz UJYOUXHGFVJIFL-ZIAGYGMSSA-N 1 0 379.448 2.931 20 0 GFADRO C[C@@H]([NH2+][C@@H](C)C1CCN(S(C)(=O)=O)CC1)c1ccc(OC(F)F)cc1 ZINC000924599338 664658798 /nfs/dbraw/zinc/65/87/98/664658798.db2.gz HQHALEHVSUASHE-OLZOCXBDSA-N 1 0 376.469 2.999 20 0 GFADRO O=S1(=O)CC[C@@H](C[NH2+][C@H](c2ccc(Br)cc2)c2cccnc2)C1 ZINC000924599957 664658819 /nfs/dbraw/zinc/65/88/19/664658819.db2.gz PGBNWIMBZLKEMQ-SUMWQHHRSA-N 1 0 395.322 2.958 20 0 GFADRO C[C@H]([C@@H](C)C(=O)Nc1ccc(C[NH+](C)C)c(C(F)(F)F)c1)S(C)(=O)=O ZINC000924892944 664663789 /nfs/dbraw/zinc/66/37/89/664663789.db2.gz LEPVMJHHCYTINR-GHMZBOCLSA-N 1 0 380.432 2.775 20 0 GFADRO CC[N@@H+]1CCC[C@H](N2C(=O)CN(Cc3cccc(Br)c3)C2=O)C1 ZINC000925292170 664669908 /nfs/dbraw/zinc/66/99/08/664669908.db2.gz IWUFWVFAIIEMLC-HNNXBMFYSA-N 1 0 380.286 2.698 20 0 GFADRO CO[C@]1(CNC(=O)N(C)C2CC[NH+](CCC(F)(F)F)CC2)CCSC1 ZINC000925374098 664671345 /nfs/dbraw/zinc/67/13/45/664671345.db2.gz LBFRIDNLOGRUEU-HNNXBMFYSA-N 1 0 383.480 2.567 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCC[C@H](S(C)(=O)=O)C1)c1nc(Br)ccc1F ZINC000925456762 664672455 /nfs/dbraw/zinc/67/24/55/664672455.db2.gz NMDDRVVLTOMFSI-AXFHLTTASA-N 1 0 379.295 2.990 20 0 GFADRO C[C@H]([NH2+]C[C@@H](O)c1c(Cl)cccc1Cl)C1CCN(S(C)(=O)=O)CC1 ZINC000925461309 664672613 /nfs/dbraw/zinc/67/26/13/664672613.db2.gz ICWOSXISVRQLBC-XHDPSFHLSA-N 1 0 395.352 2.677 20 0 GFADRO Cc1ccc([C@@H]([NH2+]CC2(CO)COC2)c2cncc(Br)c2)cc1 ZINC000925586527 664673396 /nfs/dbraw/zinc/67/33/96/664673396.db2.gz SXZSMUDWNWXRIX-QGZVFWFLSA-N 1 0 377.282 2.840 20 0 GFADRO Brc1ccc([C@H](Cc2ccccn2)N[C@@H]2C[NH2+]CCOC2)cc1 ZINC000925649360 664673741 /nfs/dbraw/zinc/67/37/41/664673741.db2.gz JEQOENUXZINUFF-MSOLQXFVSA-N 1 0 376.298 2.706 20 0 GFADRO COc1ccc([C@@H](NCc2cn(C)nc2Br)[C@@H]2CCC[NH2+]2)cc1 ZINC000925808076 664675266 /nfs/dbraw/zinc/67/52/66/664675266.db2.gz XGPBEQOMHSWUKU-JKSUJKDBSA-N 1 0 379.302 2.774 20 0 GFADRO [NH3+]C1CCN(CCNC(=O)Nc2ccccc2SCC(F)(F)F)CC1 ZINC000925925784 664677446 /nfs/dbraw/zinc/67/74/46/664677446.db2.gz KYKFXTUDIZYXFF-UHFFFAOYSA-N 1 0 376.448 2.886 20 0 GFADRO COc1cc(Br)c(NC(=O)N2CC[C@@H](C[NH3+])[C@H](C)C2)cc1OC ZINC000925972575 664678514 /nfs/dbraw/zinc/67/85/14/664678514.db2.gz GRUABSNRBZOLBT-MNOVXSKESA-N 1 0 386.290 2.915 20 0 GFADRO Cc1csc(Sc2ccc(NC(=O)N3CCC[C@@]([NH3+])(CO)C3)cc2)n1 ZINC000925974586 664678530 /nfs/dbraw/zinc/67/85/30/664678530.db2.gz ZDYHUQOCDDKNOC-KRWDZBQOSA-N 1 0 378.523 2.920 20 0 GFADRO COC(=O)c1c(C)c(C)sc1NC(=O)N1CC[C@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000926005777 664679144 /nfs/dbraw/zinc/67/91/44/664679144.db2.gz XLYJSYHCSKBTBX-UWVGGRQHSA-N 1 0 379.404 2.895 20 0 GFADRO COC(=O)c1ccc(NC(=O)N2CC[C@H](C(F)(F)F)[C@H]([NH3+])C2)cc1Cl ZINC000926035012 664679559 /nfs/dbraw/zinc/67/95/59/664679559.db2.gz AZUYEJZXMVTWKF-CMPLNLGQSA-N 1 0 379.766 2.870 20 0 GFADRO [NH3+]C[C@@H]1CC2(CO1)CCN(C(=O)Nc1ccc(Br)c(F)c1)CC2 ZINC000926045649 664679948 /nfs/dbraw/zinc/67/99/48/664679948.db2.gz IMVGZEBQXDTCAS-LBPRGKRZSA-N 1 0 386.265 2.950 20 0 GFADRO O=C(Nc1cc(F)ccc1Br)N[C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000926061474 664680283 /nfs/dbraw/zinc/68/02/83/664680283.db2.gz OMAIYCCPAAJFIA-LBPRGKRZSA-N 1 0 386.265 2.868 20 0 GFADRO COC(=O)c1cc(NC(=O)N2CC[C@]3(C2)CCCC[NH2+]3)ccc1Br ZINC000926085334 664681250 /nfs/dbraw/zinc/68/12/50/664681250.db2.gz TXSBBRCZGUBGQM-KRWDZBQOSA-N 1 0 396.285 2.986 20 0 GFADRO COc1cc(Br)cc(NC(=O)NCCCCCN2CC[NH2+]CC2)c1 ZINC000926085766 664681407 /nfs/dbraw/zinc/68/14/07/664681407.db2.gz PSKQZFDZWWHCDI-UHFFFAOYSA-N 1 0 399.333 2.655 20 0 GFADRO Cc1cc(NC(=O)N2CCC3(CO[C@H](C[NH3+])C3)CC2)cnc1Br ZINC000926088900 664681423 /nfs/dbraw/zinc/68/14/23/664681423.db2.gz AWNGXTDQMCGDKH-ZDUSSCGKSA-N 1 0 383.290 2.514 20 0 GFADRO Cc1cnc(Br)cc1NC(=O)N1CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000926098260 664681565 /nfs/dbraw/zinc/68/15/65/664681565.db2.gz UVAUMSFTAOYTRY-BDAKNGLRSA-N 1 0 381.196 2.896 20 0 GFADRO COC(=O)c1c(C)c(NC(=O)N2CC[C@H](C[NH3+])[C@H](C)C2)ccc1Br ZINC000926105071 664681810 /nfs/dbraw/zinc/68/18/10/664681810.db2.gz VBUBNLBIMLQOIS-ZYHUDNBSSA-N 1 0 398.301 2.993 20 0 GFADRO COc1ccc(NC(=O)N2C[C@H]([NH3+])C(C)(C)C2)c(I)c1 ZINC000926107800 664681963 /nfs/dbraw/zinc/68/19/63/664681963.db2.gz VQNKEYSUKHTDKX-LBPRGKRZSA-N 1 0 389.237 2.501 20 0 GFADRO [NH3+][C@]1(CO)CCCN(C(=O)Nc2cc(F)c(Br)c(Cl)c2)C1 ZINC000926113900 664682149 /nfs/dbraw/zinc/68/21/49/664682149.db2.gz BXCBWOSOGWFGMT-CYBMUJFWSA-N 1 0 380.645 2.559 20 0 GFADRO COC(=O)c1cc(NC(=O)NC[C@@H]2C[NH2+]C[C@H]2C)c(C)cc1Br ZINC000926116167 664682210 /nfs/dbraw/zinc/68/22/10/664682210.db2.gz OMVPHUGTWJMJHF-MNOVXSKESA-N 1 0 384.274 2.521 20 0 GFADRO CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)c1ccc(C(F)(F)F)s1)C2 ZINC000926149418 664682894 /nfs/dbraw/zinc/68/28/94/664682894.db2.gz AQJHRTKVCJYMCW-XYJYNPGVSA-N 1 0 376.444 2.976 20 0 GFADRO Cn1cc(C[C@@H]2CCC[C@@H]2[NH2+]Cc2ccc(S(C)(=O)=O)c(Cl)c2)cn1 ZINC000926280242 664686051 /nfs/dbraw/zinc/68/60/51/664686051.db2.gz ANLNFXIETDUPGV-RDJZCZTQSA-N 1 0 381.929 2.978 20 0 GFADRO COc1cc(Br)cc(CNC(=O)N2CC[C@H]([NH+]3CCCC3)C2)c1 ZINC000926281768 664686063 /nfs/dbraw/zinc/68/60/63/664686063.db2.gz RQAZKZRRSUAWOD-HNNXBMFYSA-N 1 0 382.302 2.837 20 0 GFADRO [NH3+]CC[C@@H]1CCN(C(=O)C(=O)N(Cc2ccc(Cl)c(Cl)c2)C2CC2)C1 ZINC000926315760 664687641 /nfs/dbraw/zinc/68/76/41/664687641.db2.gz QUZNXXDRVXLXFD-GFCCVEGCSA-N 1 0 384.307 2.682 20 0 GFADRO C[C@@H]([NH2+][C@@H](C)C1CCN(S(C)(=O)=O)CC1)c1ccc(Br)cn1 ZINC000926335962 664687987 /nfs/dbraw/zinc/68/79/87/664687987.db2.gz DFSCUQOVUNJMPD-NWDGAFQWSA-N 1 0 390.347 2.555 20 0 GFADRO CN1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1cc(C(F)(F)F)cc(S(C)(=O)=O)c1 ZINC000926376758 664688973 /nfs/dbraw/zinc/68/89/73/664688973.db2.gz KEGVXTLKVFCMTP-OCZCAGDBSA-N 1 0 376.444 2.539 20 0 GFADRO O=S(=O)(NCC[NH2+][C@H](C1CC1)C1CCOCC1)c1ccc(F)cc1Cl ZINC000926369901 664688989 /nfs/dbraw/zinc/68/89/89/664688989.db2.gz OIVSIXXSOMVWNG-QGZVFWFLSA-N 1 0 390.908 2.552 20 0 GFADRO O=S(=O)(NCC[NH2+][C@@H](C1CCC1)[C@H]1CCOC1)c1ccc(F)cc1Cl ZINC000926370374 664688991 /nfs/dbraw/zinc/68/89/91/664688991.db2.gz RFJHMAZBOZKFSE-GUYCJALGSA-N 1 0 390.908 2.552 20 0 GFADRO O=C1NCC2(CCOCC2)[C@@H]1[NH2+]CCc1ccc(Br)cc1Cl ZINC000926493515 664690623 /nfs/dbraw/zinc/69/06/23/664690623.db2.gz BORCPSPCLCAKTM-CQSZACIVSA-N 1 0 387.705 2.530 20 0 GFADRO Cc1ccoc1[C@H](Cc1ccccc1Cl)[NH2+]C[C@]1(O)CCS(=O)(=O)C1 ZINC000926508237 664691021 /nfs/dbraw/zinc/69/10/21/664691021.db2.gz QCVIXCRROMHKGW-FUHWJXTLSA-N 1 0 383.897 2.664 20 0 GFADRO COc1ccc(C[C@@H](CO)C[NH2+][C@H](C)c2cn(C)cn2)cc1Br ZINC000926540469 664691913 /nfs/dbraw/zinc/69/19/13/664691913.db2.gz JZTILDWFHYAUGY-TZMCWYRMSA-N 1 0 382.302 2.693 20 0 GFADRO C[C@H]([NH2+]C[C@H](CO)Cc1cc(Br)ccc1F)c1cc(CO)on1 ZINC000926543153 664691975 /nfs/dbraw/zinc/69/19/75/664691975.db2.gz WAPXVNPKHQHJCY-WDEREUQCSA-N 1 0 387.249 2.570 20 0 GFADRO COc1ccc(C[C@H](CO)C[NH2+][C@@H](C)c2ccnnc2)cc1Br ZINC000926543110 664692036 /nfs/dbraw/zinc/69/20/36/664692036.db2.gz VJOOVWKXPASVGI-JSGCOSHPSA-N 1 0 380.286 2.750 20 0 GFADRO C[C@@H]1C[C@@H]([NH2+]C[C@H](CO)Cc2cc(Br)ccc2F)c2ncnn21 ZINC000926543457 664692141 /nfs/dbraw/zinc/69/21/41/664692141.db2.gz ZEIRTOMVZYZESF-UEKVPHQBSA-N 1 0 383.265 2.626 20 0 GFADRO C[C@H]([NH2+]Cc1cc(F)ccc1OC(F)F)C1CCN(S(C)(=O)=O)CC1 ZINC000926727153 664695729 /nfs/dbraw/zinc/69/57/29/664695729.db2.gz IBGFJUASSXFXMC-NSHDSACASA-N 1 0 380.432 2.577 20 0 GFADRO CNS(=O)(=O)c1ccc(CC[NH2+][C@@H]2CCCc3c(Cl)ccnc32)cc1 ZINC000926806479 664696679 /nfs/dbraw/zinc/69/66/79/664696679.db2.gz JGJCHZPZBUVWAG-QGZVFWFLSA-N 1 0 379.913 2.853 20 0 GFADRO CCO[C@H](CNC(=O)N(C)Cc1ccc(F)cc1Br)C[NH+](C)C ZINC000926841303 664697639 /nfs/dbraw/zinc/69/76/39/664697639.db2.gz IQGDGPCSSLJSJE-CQSZACIVSA-N 1 0 390.297 2.696 20 0 GFADRO C[C@H]([NH2+][C@@H](C)C1CCN(S(C)(=O)=O)CC1)c1ccc(C(F)(F)F)nc1 ZINC000926834133 664697675 /nfs/dbraw/zinc/69/76/75/664697675.db2.gz DZQDVDSHLANPKI-RYUDHWBXSA-N 1 0 379.448 2.811 20 0 GFADRO C[C@@H]([NH2+]CCc1nnc2c(=O)n(C)ccn12)c1cc(Cl)cc(Cl)c1F ZINC000926872953 664698245 /nfs/dbraw/zinc/69/82/45/664698245.db2.gz YXCJWPCKZQZOET-SECBINFHSA-N 1 0 384.242 2.767 20 0 GFADRO OC1(C[NH2+][C@H]2CCCc3ncc(Br)cc32)CCC2(CC1)OCCO2 ZINC000926900686 664698674 /nfs/dbraw/zinc/69/86/74/664698674.db2.gz OSDXWWLIURFHHU-INIZCTEOSA-N 1 0 397.313 2.859 20 0 GFADRO C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]C[C@H]1C[C@@H]2COC[C@@H]2O1 ZINC000926945320 664699315 /nfs/dbraw/zinc/69/93/15/664699315.db2.gz NNOBIIIWQQJHDK-OJDYBEQGSA-N 1 0 383.286 2.560 20 0 GFADRO CC(C)(C)C[C@H]([NH2+]C[C@H](O)CS(C)(=O)=O)c1ccc(Br)cc1 ZINC000927024950 664702354 /nfs/dbraw/zinc/70/23/54/664702354.db2.gz MZKVURVAOCTRCL-GJZGRUSLSA-N 1 0 392.359 2.922 20 0 GFADRO CS(=O)(=O)C[C@H](O)C[NH2+][C@H]1CCCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000927026671 664702471 /nfs/dbraw/zinc/70/24/71/664702471.db2.gz CIEGIQASWFTTRT-OAGGEKHMSA-N 1 0 379.444 2.727 20 0 GFADRO CC(C)C[C@@H]([NH2+]C[C@@H](O)CS(C)(=O)=O)c1cccc(Br)c1 ZINC000927028255 664702561 /nfs/dbraw/zinc/70/25/61/664702561.db2.gz WTXXDLKYNJRPOR-HUUCEWRRSA-N 1 0 378.332 2.531 20 0 GFADRO Cn1nnc2c1C[C@@H]([NH2+][C@H]1CCCOc3c(Br)cccc31)CC2 ZINC000927152758 664705296 /nfs/dbraw/zinc/70/52/96/664705296.db2.gz VOCVNGVMZLAWFA-FZMZJTMJSA-N 1 0 377.286 2.938 20 0 GFADRO O=C(NC[C@H]1CC[N@@H+]1C1CCOCC1)N1CCc2ccc(Br)cc21 ZINC000927631125 664712646 /nfs/dbraw/zinc/71/26/46/664712646.db2.gz RAMXTAVYDFTDDJ-MRXNPFEDSA-N 1 0 394.313 2.775 20 0 GFADRO COc1cc(C(=O)NCc2cc(N(C)C)cc[nH+]2)cc(Br)c1OC ZINC000927699383 664714189 /nfs/dbraw/zinc/71/41/89/664714189.db2.gz WGQUTACMXDBNJS-UHFFFAOYSA-N 1 0 394.269 2.857 20 0 GFADRO C[C@@H]1[C@H]([NH3+])CCCN1C(=O)c1ccc(Cn2cc(Br)cn2)s1 ZINC000927771602 664715617 /nfs/dbraw/zinc/71/56/17/664715617.db2.gz UMYLIFQTWKYITR-ZWNOBZJWSA-N 1 0 383.315 2.707 20 0 GFADRO CCOc1c(Cl)cc(NC(=O)C(=O)NCC[C@@H]2C[NH2+]C[C@H]2C)cc1Cl ZINC000927818700 664716325 /nfs/dbraw/zinc/71/63/25/664716325.db2.gz LODKVYYKOANIDH-GHMZBOCLSA-N 1 0 388.295 2.692 20 0 GFADRO [NH3+][C@@H]1CN(C(=O)C(=O)Nc2cc(Cl)ccc2Cl)CC[C@@H]1C(F)(F)F ZINC000927849154 664716822 /nfs/dbraw/zinc/71/68/22/664716822.db2.gz YFVGFABMAJDVEP-WCBMZHEXSA-N 1 0 384.185 2.670 20 0 GFADRO Cc1cc(Br)c(Cl)cc1NC(=O)C(=O)N1CC[C@H](CC[NH3+])C1 ZINC000927887567 664717310 /nfs/dbraw/zinc/71/73/10/664717310.db2.gz DBJDIFZGMUYBPC-JTQLQIEISA-N 1 0 388.693 2.547 20 0 GFADRO CC(C)c1cc(Br)ccc1NC(=O)C(=O)N1CC[C@H](CC[NH3+])C1 ZINC000927888935 664717395 /nfs/dbraw/zinc/71/73/95/664717395.db2.gz ZXXAOCGLKYLQJH-LBPRGKRZSA-N 1 0 382.302 2.708 20 0 GFADRO COCCOc1ccc(C(=O)N[C@H]2CCC[N@@H+]3CCSC[C@@H]23)c(Cl)c1 ZINC000928089808 664722446 /nfs/dbraw/zinc/72/24/46/664722446.db2.gz KXDJLYUODJJZKA-IRXDYDNUSA-N 1 0 384.929 2.675 20 0 GFADRO O=C(COCc1nc2ccccc2s1)N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000928095040 664722684 /nfs/dbraw/zinc/72/26/84/664722684.db2.gz JEECRMJFNSJXAE-DZGCQCFKSA-N 1 0 377.535 2.509 20 0 GFADRO Cc1ccc(-c2nc(CC(=O)N[C@H]3CCC[N@@H+]4CCSC[C@H]34)cs2)o1 ZINC000928097386 664722992 /nfs/dbraw/zinc/72/29/92/664722992.db2.gz ZYPDYIBONPODOB-LSDHHAIUSA-N 1 0 377.535 2.950 20 0 GFADRO O=C(Cc1csc(CCC(F)(F)F)n1)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000928099567 664723181 /nfs/dbraw/zinc/72/31/81/664723181.db2.gz DLRKXNNATARNFF-STQMWFEESA-N 1 0 393.500 2.877 20 0 GFADRO CN(C(=O)c1cc(Br)cnc1Br)C1CC[NH+](C)CC1 ZINC000929121569 664746736 /nfs/dbraw/zinc/74/67/36/664746736.db2.gz JZJPZSOUUBKXFD-UHFFFAOYSA-N 1 0 391.107 2.773 20 0 GFADRO Cc1cccc(C[NH+]2CCC(C(=O)N3CCOCC3)CC2)c1Br ZINC000929237845 664748703 /nfs/dbraw/zinc/74/87/03/664748703.db2.gz QLGNRMUHMZRFNW-UHFFFAOYSA-N 1 0 381.314 2.828 20 0 GFADRO CN1CCN(C(=O)Nc2ccc(Br)cc2Cl)CC[N@H+](C)CC1 ZINC000929269768 664749092 /nfs/dbraw/zinc/74/90/92/664749092.db2.gz NCLCIWMUSVFFHZ-UHFFFAOYSA-N 1 0 389.725 2.814 20 0 GFADRO Cc1ccc(NC(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)cc1Br ZINC000929503525 664753448 /nfs/dbraw/zinc/75/34/48/664753448.db2.gz JHFJCXAWUYGTBY-HOTGVXAUSA-N 1 0 382.302 2.820 20 0 GFADRO O=C(Nc1ccccc1Br)C1CC[NH+](CCO[C@@H]2CCOC2)CC1 ZINC000929950634 664760263 /nfs/dbraw/zinc/76/02/63/664760263.db2.gz LPKQDIREHHAYCD-OAHLLOKOSA-N 1 0 397.313 2.905 20 0 GFADRO COc1ccc(I)c(NC(=O)N[C@H]2CC[N@H+](C)[C@@H]2C)c1 ZINC000930043529 664761601 /nfs/dbraw/zinc/76/16/01/664761601.db2.gz RSCMSIVFVZIHGJ-SKDRFNHKSA-N 1 0 389.237 2.514 20 0 GFADRO C[C@@H]([NH2+]Cc1ccc(Br)nc1N)c1ccc2c(c1)CC(=O)N2C ZINC000930215001 664764682 /nfs/dbraw/zinc/76/46/82/664764682.db2.gz DKEZYNCAGGYYOV-SNVBAGLBSA-N 1 0 375.270 2.796 20 0 GFADRO C[C@@H]1[C@H](NC(=O)Nc2cc(F)c(F)cc2I)CC[N@@H+]1C ZINC000930256543 664765493 /nfs/dbraw/zinc/76/54/93/664765493.db2.gz PQOVZTNWSXTWBG-RDDDGLTNSA-N 1 0 395.191 2.784 20 0 GFADRO O=C(NCC1CC[NH+](C[C@@H]2CCC[C@H](C(F)(F)F)O2)CC1)C(F)(F)F ZINC000930309940 664766796 /nfs/dbraw/zinc/76/67/96/664766796.db2.gz YULDJQRPKRSBHU-NWDGAFQWSA-N 1 0 376.341 2.877 20 0 GFADRO CC(=O)N1CCC([NH+]2CCN(Cc3cc(Br)ccc3F)CC2)CC1 ZINC000930313196 664766812 /nfs/dbraw/zinc/76/68/12/664766812.db2.gz ZCYMIGKNYZDQDY-UHFFFAOYSA-N 1 0 398.320 2.717 20 0 GFADRO CC[N@@H+]1CC[C@@H](CNC(=O)c2cc3ccc(Br)cc3c(=O)o2)C1 ZINC000930367234 664768193 /nfs/dbraw/zinc/76/81/93/664768193.db2.gz BVIHCUIEIWKMMM-NSHDSACASA-N 1 0 379.254 2.627 20 0 GFADRO COC(=O)c1ccc(Br)c(C[N@@H+]2CC[C@H](C(=O)N3CCCC3)C2)c1 ZINC000930488947 664771691 /nfs/dbraw/zinc/77/16/91/664771691.db2.gz GUHVMWGZNJLJNR-AWEZNQCLSA-N 1 0 395.297 2.680 20 0 GFADRO O=C(NC[C@@H]1CCC[N@@H+](C[C@@H]2CCC[C@H](C(F)(F)F)O2)C1)C(F)(F)F ZINC000930521028 664772200 /nfs/dbraw/zinc/77/22/00/664772200.db2.gz RWKRKYPPQGVKAF-SDDRHHMPSA-N 1 0 376.341 2.877 20 0 GFADRO Cc1ccc(Br)c(C(=O)Nc2c[nH+]ccc2N2CCN(C)CC2)n1 ZINC000930527207 664772318 /nfs/dbraw/zinc/77/23/18/664772318.db2.gz WOPQDQVKSIJFEQ-UHFFFAOYSA-N 1 0 390.285 2.552 20 0 GFADRO COc1cc(Br)cc(NC(=O)NC[C@@H]2CC[N@@H+]2C2CCOCC2)c1 ZINC000930605512 664774256 /nfs/dbraw/zinc/77/42/56/664774256.db2.gz QUIIVUGXSYTQDR-HNNXBMFYSA-N 1 0 398.301 2.833 20 0 GFADRO COCCOc1ccc(Br)cc1NC(=O)N1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC000930752409 664777552 /nfs/dbraw/zinc/77/75/52/664777552.db2.gz UDRBWKUKQQYRMK-WFASDCNBSA-N 1 0 398.301 2.642 20 0 GFADRO C[C@]12CC[N@H+](CCO[C@H]3CCOC3)C[C@H]1C2(Br)Br ZINC000930925838 664781012 /nfs/dbraw/zinc/78/10/12/664781012.db2.gz NNJDWBRGRDYHMU-TUAOUCFPSA-N 1 0 383.124 2.620 20 0 GFADRO CCO[C@H](CNC(=O)Nc1cc(F)cc(Br)c1F)C[NH+](C)C ZINC000931119777 664786249 /nfs/dbraw/zinc/78/62/49/664786249.db2.gz IEOWYQBRRQYZQO-SNVBAGLBSA-N 1 0 380.233 2.816 20 0 GFADRO CCn1ncc(NC(=O)N[C@H]2CCC[N@@H+]3CCSC[C@H]23)c1C(F)(F)F ZINC000931264066 664789845 /nfs/dbraw/zinc/78/98/45/664789845.db2.gz ZEFJSMLJXUZRRD-CMPLNLGQSA-N 1 0 377.436 2.623 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(CC(=O)Nc3ccc(Br)cc3Cl)C[C@@H]2C1 ZINC000931441393 664795103 /nfs/dbraw/zinc/79/51/03/664795103.db2.gz SDDQMLNQURGTAN-NEPJUHHUSA-N 1 0 386.721 2.925 20 0 GFADRO COC1(OC)CCOC[C@H]1[NH2+]Cc1ccc(Br)c2cccnc12 ZINC000931672772 664802417 /nfs/dbraw/zinc/80/24/17/664802417.db2.gz FFAOUKRYZSZKTJ-OAHLLOKOSA-N 1 0 381.270 2.865 20 0 GFADRO OC[C@@H]([NH2+]C[C@H](O)CC[C@H](O)c1ccccc1)c1ccc(Br)cc1 ZINC000931690003 664802819 /nfs/dbraw/zinc/80/28/19/664802819.db2.gz KZWNBTBGRKFAEC-QRVBRYPASA-N 1 0 394.309 2.947 20 0 GFADRO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2CC(=O)Nc1c(F)cc(F)cc1Br ZINC000931723550 664803621 /nfs/dbraw/zinc/80/36/21/664803621.db2.gz TXDRVKGKNOHZJI-NWDGAFQWSA-N 1 0 388.256 2.834 20 0 GFADRO C[NH+]1CCC(OCC(=O)NC(C)(C)Cc2ccc(Br)cc2)CC1 ZINC000931725955 664803720 /nfs/dbraw/zinc/80/37/20/664803720.db2.gz HZTBXOKPKHTUEG-UHFFFAOYSA-N 1 0 383.330 2.997 20 0 GFADRO C[NH+](C)C[C@@H]1CCCCN1C(=O)C[C@@H]1C(=O)Nc2ccc(Br)cc21 ZINC000931905055 664807112 /nfs/dbraw/zinc/80/71/12/664807112.db2.gz AVSGBRGYLGSRLY-ZFWWWQNUSA-N 1 0 394.313 2.818 20 0 GFADRO O=C(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1ncc(Br)cn1 ZINC000931904898 664807142 /nfs/dbraw/zinc/80/71/42/664807142.db2.gz MTALNLHYCCRJQA-HNNXBMFYSA-N 1 0 389.297 2.534 20 0 GFADRO Cn1ccc([C@@H]2CCC[N@H+](C[C@@H](O)COc3ccc(Br)cc3)C2)n1 ZINC000932139751 664810896 /nfs/dbraw/zinc/81/08/96/664810896.db2.gz RSTGFKYDMOBLNA-GDBMZVCRSA-N 1 0 394.313 2.802 20 0 GFADRO Cc1cc(C(=O)N(C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)oc1Br ZINC000932577012 664829349 /nfs/dbraw/zinc/82/93/49/664829349.db2.gz IMIWZLCNLCVTJI-AWEZNQCLSA-N 1 0 384.318 2.591 20 0 GFADRO CN(Cc1ccc(Cl)s1)C(=O)C(=O)NC1CCC(C)([NH+]2CCC2)CC1 ZINC000932680945 664831877 /nfs/dbraw/zinc/83/18/77/664831877.db2.gz ZPGFNXGFPAENPA-UHFFFAOYSA-N 1 0 383.945 2.883 20 0 GFADRO CC(C)[C@@H](C[NH+](C)C)NC(=O)C[C@@H]1C(=O)Nc2ccc(Br)cc21 ZINC000932712431 664832428 /nfs/dbraw/zinc/83/24/28/664832428.db2.gz IYQNYRAUAQUCCE-DZGCQCFKSA-N 1 0 382.302 2.577 20 0 GFADRO Cc1ccc(Br)c2cc(C(=O)NC[C@@H](C)N3CC[NH+](C)CC3)[nH]c21 ZINC000932722526 664833288 /nfs/dbraw/zinc/83/32/88/664833288.db2.gz CLQLCAFEGYWIRD-CYBMUJFWSA-N 1 0 393.329 2.605 20 0 GFADRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)c2ncc(Br)cn2)C1 ZINC000932802376 664839271 /nfs/dbraw/zinc/83/92/71/664839271.db2.gz SQZCJEXSSCHTMK-KBPBESRZSA-N 1 0 381.318 2.966 20 0 GFADRO C[C@](O)(C[C@H](O)C[N@@H+]1CCC[C@](O)(c2ccc(Br)cc2)C1)C1CC1 ZINC000932813621 664839664 /nfs/dbraw/zinc/83/96/64/664839664.db2.gz ADXXQCRAKFKIOI-GBESFXJTSA-N 1 0 398.341 2.645 20 0 GFADRO O=C1CC[C@H](C[N@H+]2CCC[C@@](O)(c3ccc(Br)cc3)C2)CCN1 ZINC000932815764 664840040 /nfs/dbraw/zinc/84/00/40/664840040.db2.gz QJSNLFPEOZLZRE-KSSFIOAISA-N 1 0 381.314 2.649 20 0 GFADRO CC(=O)N1CCC([N@@H+]2CCC[C@](O)(c3ccc(Br)cc3)C2)CC1 ZINC000932816321 664840126 /nfs/dbraw/zinc/84/01/26/664840126.db2.gz UHTIESHFXOKSQO-GOSISDBHSA-N 1 0 381.314 2.743 20 0 GFADRO CC[C@H](c1ccc(Br)cc1)[NH+]1CCC2(CC1)C[C@@H](O)CNC2=O ZINC000932841081 664841476 /nfs/dbraw/zinc/84/14/76/664841476.db2.gz VAFQOGFDILKLJL-HZPDHXFCSA-N 1 0 381.314 2.863 20 0 GFADRO Cc1c(Br)cc(F)cc1C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000932917116 664843117 /nfs/dbraw/zinc/84/31/17/664843117.db2.gz RUOHGLIWSBLOPH-HNNXBMFYSA-N 1 0 398.320 2.749 20 0 GFADRO CC[N@H+](C)C[C@H]1CCN(C(=O)Nc2cnc(OC)c(Br)c2C)C1 ZINC000932948098 664844476 /nfs/dbraw/zinc/84/44/76/664844476.db2.gz IMOPHGLFDJDGAQ-GFCCVEGCSA-N 1 0 385.306 2.967 20 0 GFADRO C[C@](CO)(Cc1ccc(Br)cc1)[NH2+]CC(=O)Nc1ccc(O)cc1 ZINC000933436702 664864062 /nfs/dbraw/zinc/86/40/62/664864062.db2.gz GDIQKUNNCYHXES-GOSISDBHSA-N 1 0 393.281 2.677 20 0 GFADRO CC[NH+](CC)[C@H]1CCN(C(=O)C[C@@H]2C(=O)Nc3ccc(Br)cc32)C1 ZINC000933795140 664878127 /nfs/dbraw/zinc/87/81/27/664878127.db2.gz VNOKORBLMZPEQE-ZFWWWQNUSA-N 1 0 394.313 2.818 20 0 GFADRO Cc1cc(C(=O)N2CCC(OCC[NH+]3CCCC3)CC2)cnc1Br ZINC000933915542 664880268 /nfs/dbraw/zinc/88/02/68/664880268.db2.gz JGFLNQTZTIPZTD-UHFFFAOYSA-N 1 0 396.329 2.870 20 0 GFADRO COc1cc(Br)ccc1CCC[NH+]1CCN(C)CCN(C)CC1 ZINC000933991600 664886025 /nfs/dbraw/zinc/88/60/25/664886025.db2.gz GGHZJDZXEWQTSL-UHFFFAOYSA-N 1 0 384.362 2.570 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C[C@H]2C(=O)Nc3c2cccc3Br)C1 ZINC000934195042 664892014 /nfs/dbraw/zinc/89/20/14/664892014.db2.gz VKPMCCYAFIAKCP-YRGRVCCFSA-N 1 0 394.313 2.864 20 0 GFADRO Cc1c(Br)cncc1NC(=O)NC(C)(C)CC[NH+]1CCN(C)CC1 ZINC000934259000 664894820 /nfs/dbraw/zinc/89/48/20/664894820.db2.gz CWEVLVJLZHUZMX-UHFFFAOYSA-N 1 0 398.349 2.690 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)C[C@@H]2C(=O)Nc3c2cccc3Br)C[N@@H+]1C1CC1 ZINC000934399127 664905574 /nfs/dbraw/zinc/90/55/74/664905574.db2.gz ZXBVQCIKEPGZES-GYSYKLTISA-N 1 0 392.297 2.616 20 0 GFADRO Cc1cccc([C@H](O)C[NH2+][C@H](CO)c2ccccc2I)c1 ZINC000934827213 664925028 /nfs/dbraw/zinc/92/50/28/664925028.db2.gz SIPYCVNVIVBMGX-IAGOWNOFSA-N 1 0 397.256 2.956 20 0 GFADRO C[C@@H](NC(=O)c1cc2cc(Br)cnc2n1C)C1=CC[N@H+](C)CC1 ZINC000935314007 664953074 /nfs/dbraw/zinc/95/30/74/664953074.db2.gz SAVIXUZVLUCNDV-LLVKDONJSA-N 1 0 377.286 2.716 20 0 GFADRO C[C@H](NC(=O)c1cnnn1-c1cccc(Cl)c1Cl)C1=CC[N@H+](C)CC1 ZINC000935314929 664953349 /nfs/dbraw/zinc/95/33/49/664953349.db2.gz ZNIFUTDDZXSUJR-NSHDSACASA-N 1 0 380.279 2.954 20 0 GFADRO CCc1ccc(Br)cc1C(=O)N[C@@H](C)CC[NH+]1CCN(C)CC1 ZINC000935446099 664962115 /nfs/dbraw/zinc/96/21/15/664962115.db2.gz QXDXAJLBTPTCEH-AWEZNQCLSA-N 1 0 382.346 2.767 20 0 GFADRO Cc1ccc(Br)c2cc(C(=O)N3CCC[C@@](O)(C[NH+](C)C)C3)[nH]c21 ZINC000935679622 664980528 /nfs/dbraw/zinc/98/05/28/664980528.db2.gz KNRKIAIBFBZRPP-GOSISDBHSA-N 1 0 394.313 2.768 20 0 GFADRO C[C@](O)(C(=O)NCC1CC[NH+](C2CC2)CC1)c1ccc(F)c(Br)c1 ZINC000935681631 664980838 /nfs/dbraw/zinc/98/08/38/664980838.db2.gz WIKIOZNOXJKXFW-GOSISDBHSA-N 1 0 399.304 2.786 20 0 GFADRO COc1c[nH+]ccc1N1CCN(C(=O)c2cnc(Br)c(C)c2)CC1 ZINC000935767963 664987551 /nfs/dbraw/zinc/98/75/51/664987551.db2.gz PUIAQTSGKUPVBG-UHFFFAOYSA-N 1 0 391.269 2.519 20 0 GFADRO CC[C@H]1C[N@H+](C)CCCN1C(=O)C[C@H]1C(=O)Nc2ccc(Br)cc21 ZINC000935778798 664988022 /nfs/dbraw/zinc/98/80/22/664988022.db2.gz WJEVBFVDCLZPEG-DZGCQCFKSA-N 1 0 394.313 2.818 20 0 GFADRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1cnn2cccc(Br)c12 ZINC000935941743 665000459 /nfs/dbraw/zinc/00/04/59/665000459.db2.gz SOXPLYVWZCWVSE-CHWSQXEVSA-N 1 0 377.286 2.796 20 0 GFADRO Cc1ccc(Br)c2cc(C(=O)N3CC[C@H]([N@@H+]4CC[C@H](O)C4)C3)[nH]c21 ZINC000935981323 665002465 /nfs/dbraw/zinc/00/24/65/665002465.db2.gz QAYYKRDPZQJOLS-STQMWFEESA-N 1 0 392.297 2.520 20 0 GFADRO CSC1(CNC(=O)c2ccccc2[S@@](=O)C(F)(F)F)CC[NH+](C)CC1 ZINC000936041545 665005374 /nfs/dbraw/zinc/00/53/74/665005374.db2.gz CVSBQWSAUYXBDW-RUZDIDTESA-N 1 0 394.484 2.871 20 0 GFADRO C[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)c2cscc2Cl)CC1 ZINC000997887461 665037824 /nfs/dbraw/zinc/03/78/24/665037824.db2.gz QTNYXZXRELJIKE-KCXAZCMYSA-N 1 0 381.929 2.605 20 0 GFADRO C[C@@H]1[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2ccsc2Cl)CC[N@@H+]1C ZINC001003131512 665058833 /nfs/dbraw/zinc/05/88/33/665058833.db2.gz AKSOYEHBTIBQGX-FWZIUSJTSA-N 1 0 381.929 2.603 20 0 GFADRO C[N@H+](CCCO)C1CCN(C[C@@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000115546311 677395284 /nfs/dbraw/zinc/39/52/84/677395284.db2.gz KXDQPFVISYDACV-MRXNPFEDSA-N 1 0 391.339 2.512 20 0 GFADRO O=C(Nc1cccc(Br)c1)C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000120575124 677397042 /nfs/dbraw/zinc/39/70/42/677397042.db2.gz YURLXUMULJCMMG-MRXNPFEDSA-N 1 0 394.313 2.865 20 0 GFADRO CC[NH+](CC)CCC[C@@H](C)NC(=O)CNC(=O)c1cccc(Br)c1 ZINC000198120426 677404868 /nfs/dbraw/zinc/40/48/68/677404868.db2.gz NZNBLYQMZVDFOZ-CQSZACIVSA-N 1 0 398.345 2.806 20 0 GFADRO Cn1ncc(Br)c1C[NH2+][C@@H]1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000382450062 677406671 /nfs/dbraw/zinc/40/66/71/677406671.db2.gz DIZRALANSDZMHG-VXGBXAGGSA-N 1 0 387.322 2.966 20 0 GFADRO C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+]Cc1nn(C)cc1Br ZINC000393334062 677410518 /nfs/dbraw/zinc/41/05/18/677410518.db2.gz WAFZSWUIKZKKLT-AAEUAGOBSA-N 1 0 387.322 2.918 20 0 GFADRO COc1cc(Br)c(C[NH2+]C[C@@H](CO)c2cccnc2)cc1OC ZINC000580251731 677673952 /nfs/dbraw/zinc/67/39/52/677673952.db2.gz PEFHAQSRIZIDOC-AWEZNQCLSA-N 1 0 381.270 2.727 20 0 GFADRO CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3CN(Cc4csc(Cl)n4)C[C@H]32)CC[N@@H+]1C ZINC001075813726 677675941 /nfs/dbraw/zinc/67/59/41/677675941.db2.gz WGSNMKDDMNKMEX-ARLBYUKCSA-N 1 0 382.961 2.560 20 0 GFADRO Fc1ccc(-c2nnc(N3CCN4CC[NH2+]C[C@@H]4C3)c3ccccc32)cc1F ZINC001164407420 718839184 /nfs/dbraw/zinc/83/91/84/718839184.db2.gz WNKUWYLNVIYBNX-OAHLLOKOSA-N 1 0 381.430 2.669 20 0 GFADRO Fc1ccc(-c2nc(Cl)cc(N3CCN4CC[NH2+]C[C@H]4C3)n2)cc1Cl ZINC001164400029 718842713 /nfs/dbraw/zinc/84/27/13/718842713.db2.gz NTPFHYHPCPBKKU-LBPRGKRZSA-N 1 0 382.270 2.683 20 0 GFADRO Clc1ccc(Oc2nc(Cl)ncc2N2CCN3CC[NH2+]C[C@@H]3C2)cc1 ZINC001164399779 718843383 /nfs/dbraw/zinc/84/33/83/718843383.db2.gz GIAKWDMHNJLIFA-CYBMUJFWSA-N 1 0 380.279 2.670 20 0 GFADRO Cc1cccc(-c2cc(C(F)(F)N3C[C@@H]4C[NH2+]C[C@@]4(CO)C3)c(Cl)nn2)c1 ZINC001164401586 718854857 /nfs/dbraw/zinc/85/48/57/718854857.db2.gz CBYOHWFMDVRUQG-KSSFIOAISA-N 1 0 394.853 2.668 20 0 GFADRO Fc1ccc2nc(C(F)(F)N3CCO[C@@H]4C[NH2+]CC[C@H]4C3)nc(Cl)c2c1 ZINC001164403409 718862403 /nfs/dbraw/zinc/86/24/03/718862403.db2.gz NNCNCYSFCGEVRT-IINYFYTJSA-N 1 0 386.805 2.782 20 0 GFADRO COc1ccc2nc(C(F)(F)N3CCO[C@H]4C[NH2+]CC[C@@H]4C3)nc(Cl)c2c1 ZINC001164404947 718864713 /nfs/dbraw/zinc/86/47/13/718864713.db2.gz BWYVVRQQWMAZMR-ABAIWWIYSA-N 1 0 398.841 2.651 20 0 GFADRO CN(C)c1cc(Cl)nc(C(F)(F)N2C[C@@H]3[NH2+]Cc4ccccc4[C@@H]3C2)n1 ZINC001164422721 718940923 /nfs/dbraw/zinc/94/09/23/718940923.db2.gz BPHHRHPSJBLXRZ-KBPBESRZSA-N 1 0 379.842 2.817 20 0 GFADRO CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@H]2N1C(F)(F)c1ccc(Cl)c(Cl)n1 ZINC001164613983 719014916 /nfs/dbraw/zinc/01/49/16/719014916.db2.gz AYZDQWMYTAAVSJ-DVVUODLYSA-N 1 0 380.222 2.663 20 0 GFADRO CCOC(=O)c1ccc(N2CCC([NH+]3CCC(C(=O)OCC)CC3)CC2)nc1 ZINC001164616495 719021449 /nfs/dbraw/zinc/02/14/49/719021449.db2.gz KVIKIJPLCCZTSK-UHFFFAOYSA-N 1 0 389.496 2.502 20 0 GFADRO CCOC(=O)Cc1cnc(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)nc1 ZINC001164623580 719082951 /nfs/dbraw/zinc/08/29/51/719082951.db2.gz JUKCDHNVKVWVQJ-WOJBJXKFSA-N 1 0 380.492 2.683 20 0 GFADRO [NH3+]C1([C@@H]2CN(c3ncnc4c3CN(Cc3ccccc3)CC4)C[C@H]2CF)CC1 ZINC001164621834 719116439 /nfs/dbraw/zinc/11/64/39/719116439.db2.gz BDOSTAZOVRIZKP-IEBWSBKVSA-N 1 0 381.499 2.548 20 0 GFADRO CC(C)N(C)Cc1nn(-c2cncc(OCc3ccccc3)n2)c2c1CC[NH2+]C2 ZINC001164682315 719609241 /nfs/dbraw/zinc/60/92/41/719609241.db2.gz CHXSZUTZBUKNBB-UHFFFAOYSA-N 1 0 392.507 2.727 20 0 GFADRO COC(=O)c1ccc(N2CCC3(CCC[N@@H+]3Cc3csc(C)n3)CC2)nn1 ZINC001164692676 719804717 /nfs/dbraw/zinc/80/47/17/719804717.db2.gz OQAPFEWHTSEASC-UHFFFAOYSA-N 1 0 387.509 2.663 20 0 GFADRO CCOC(=O)/C=C/c1cccnc1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COC ZINC001164815791 720076115 /nfs/dbraw/zinc/07/61/15/720076115.db2.gz ZQHZXJYTLUEACO-FMIHWUGLSA-N 1 0 399.535 2.843 20 0 GFADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@H]3[C@@H]2CC(=O)N3c2cnn(C)c2)nc1 ZINC001164712464 720076685 /nfs/dbraw/zinc/07/66/85/720076685.db2.gz QBEHZDHOCYKQGN-AABGKKOBSA-N 1 0 394.523 2.746 20 0 GFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1c[nH]c3ncnc(Cl)c13)C2 ZINC001164811656 720080756 /nfs/dbraw/zinc/08/07/56/720080756.db2.gz OSWMUGRVBGHBLZ-LIRRHRJNSA-N 1 0 375.904 2.748 20 0 GFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(Cl)nc3ncccc31)C2 ZINC001164805947 720083070 /nfs/dbraw/zinc/08/30/70/720083070.db2.gz BGQPIGLRPJHINQ-QRWLVFNGSA-N 1 0 387.915 2.863 20 0 GFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ncc3ccc(OC)cc3n1)C2 ZINC001164808000 720097185 /nfs/dbraw/zinc/09/71/85/720097185.db2.gz GZNJECIPAJUZIY-GCJKJVERSA-N 1 0 382.508 2.823 20 0 GFADRO CCc1nccnc1N1CCC2(C[C@@H](COC)[N@H+](Cc3ccccn3)C2)CC1 ZINC001164714864 720114900 /nfs/dbraw/zinc/11/49/00/720114900.db2.gz CUYJLSQESOGMPU-IBGZPJMESA-N 1 0 381.524 2.942 20 0 GFADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(C)nc(OC)n1)CC2 ZINC001164715615 720117507 /nfs/dbraw/zinc/11/75/07/720117507.db2.gz IJMMAOWTIOCQIT-LJQANCHMSA-N 1 0 397.523 2.696 20 0 GFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ncc3cc(OC)ccc3n1)C2 ZINC001164811599 720123093 /nfs/dbraw/zinc/12/30/93/720123093.db2.gz MUCPTFXOPCTABZ-PGRDOPGGSA-N 1 0 382.508 2.823 20 0 GFADRO CCc1cc(N2CCC3(C[C@@H](COC)[N@H+](Cc4ccccn4)C3)CC2)ncn1 ZINC001164710487 720145678 /nfs/dbraw/zinc/14/56/78/720145678.db2.gz BXBIKABUGQGOGQ-FQEVSTJZSA-N 1 0 381.524 2.942 20 0 GFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cc3nc(C(=O)OC)cc-3c[nH]1)C2 ZINC001164815587 720152698 /nfs/dbraw/zinc/15/26/98/720152698.db2.gz IJSVSBNSDQIBBY-VGOFRKELSA-N 1 0 398.507 2.534 20 0 GFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nnc(OC)c3ccccc31)C2 ZINC001164817729 720164488 /nfs/dbraw/zinc/16/44/88/720164488.db2.gz PXPJDMCXACNCGK-VGOFRKELSA-N 1 0 382.508 2.823 20 0 GFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ncnc(-c3cccc(F)c3)n1)C2 ZINC001164820187 720178393 /nfs/dbraw/zinc/17/83/93/720178393.db2.gz ZSHLKXQMWCMCDB-PGRDOPGGSA-N 1 0 397.498 2.862 20 0 GFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ncccc1C(=O)OC(C)C)C2 ZINC001164818527 720194761 /nfs/dbraw/zinc/19/47/61/720194761.db2.gz TUUGYJRBKHBTEC-PGRDOPGGSA-N 1 0 387.524 2.832 20 0 GFADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1ncc3cc(F)ccc3n1)CCC2 ZINC001164814554 720230646 /nfs/dbraw/zinc/23/06/46/720230646.db2.gz YEKMAFAWYHMIHT-UHFFFAOYSA-N 1 0 396.470 2.576 20 0 GFADRO Cc1cc2ncnc(N3CCCn4c(=O)cc(C[N@@H+](C)C(C)C)nc4C3)c2s1 ZINC001164812159 720233175 /nfs/dbraw/zinc/23/31/75/720233175.db2.gz CCOKHSREKODQNW-UHFFFAOYSA-N 1 0 398.536 2.807 20 0 GFADRO Cc1csc2ncnc(N3CC[C@@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)c12 ZINC001164817485 720288858 /nfs/dbraw/zinc/28/88/58/720288858.db2.gz DBTKKHIBGFQNOU-IAGOWNOFSA-N 1 0 399.564 2.911 20 0 GFADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2ncnc3ccccc32)CC1 ZINC001164826755 720294339 /nfs/dbraw/zinc/29/43/39/720294339.db2.gz WKAHFSZJDYUXNG-PMACEKPBSA-N 1 0 379.508 2.541 20 0 GFADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2nc(Cl)ccc2F)CC1 ZINC001164826524 720303527 /nfs/dbraw/zinc/30/35/27/720303527.db2.gz VLWYKGCSMTVOSJ-HOTGVXAUSA-N 1 0 380.895 2.786 20 0 GFADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2ncc(F)cc2Cl)CC1 ZINC001164826026 720310760 /nfs/dbraw/zinc/31/07/60/720310760.db2.gz VADSFVWALHLIJB-DLBZAZTESA-N 1 0 380.895 2.786 20 0 GFADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2nccc(C(C)(C)C)n2)CC1 ZINC001164821397 720312520 /nfs/dbraw/zinc/31/25/20/720312520.db2.gz KNXIYTLRLATSKS-MSOLQXFVSA-N 1 0 385.556 2.686 20 0 GFADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2cnc(-c3ccco3)cn2)CC1 ZINC001164818972 720312690 /nfs/dbraw/zinc/31/26/90/720312690.db2.gz CDWLNUCXIIUZIC-MOPGFXCFSA-N 1 0 395.507 2.648 20 0 GFADRO COc1cnc(N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c(Cl)c1 ZINC001164834242 720328104 /nfs/dbraw/zinc/32/81/04/720328104.db2.gz YXZFBWCWJFCITC-ROUUACIJSA-N 1 0 392.931 2.655 20 0 GFADRO Cc1cc(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc(C(C)C)n1 ZINC001164823589 720338057 /nfs/dbraw/zinc/33/80/57/720338057.db2.gz HEHLLGXOBJEJEZ-RBUKOAKNSA-N 1 0 385.556 2.820 20 0 GFADRO CCOC(=O)/C=C\c1cccnc1N1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164728443 720338033 /nfs/dbraw/zinc/33/80/33/720338033.db2.gz VPVXLFOERRHEGP-KGMDJONISA-N 1 0 378.476 2.906 20 0 GFADRO CC(C)(C)OC(=O)c1ccnc(N2CC[C@@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)n1 ZINC001164724247 720397103 /nfs/dbraw/zinc/39/71/03/720397103.db2.gz IOAXOBGSULRQKK-QZTJIDSGSA-N 1 0 381.480 2.680 20 0 GFADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3nccc(NC4CC4)n3)CC[C@@H]21 ZINC001164837146 720505701 /nfs/dbraw/zinc/50/57/01/720505701.db2.gz NWKRNQJJMXTSNX-WDSOQIARSA-N 1 0 381.528 2.625 20 0 GFADRO COc1cnc(Cl)nc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164840726 720510506 /nfs/dbraw/zinc/51/05/06/720510506.db2.gz XIOZTSJMXAAJOH-ARFHVFGLSA-N 1 0 390.919 2.713 20 0 GFADRO COc1cnc(Cl)nc1N1CC[C@@H]2[C@H](C[C@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164840728 720510531 /nfs/dbraw/zinc/51/05/31/720510531.db2.gz XIOZTSJMXAAJOH-BZUAXINKSA-N 1 0 390.919 2.713 20 0 GFADRO COc1ccccc1-c1cc(N2Cc3nccn3C[C@@H](C[NH+](C)C)C2)ncn1 ZINC001164731881 720526570 /nfs/dbraw/zinc/52/65/70/720526570.db2.gz BERPAZHJNHXEFN-MRXNPFEDSA-N 1 0 378.480 2.547 20 0 GFADRO Cc1nc(-c2ccncc2)nc(N2Cc3nccn3C[C@H](C[NH+](C)C)C2)c1C ZINC001164735431 720528415 /nfs/dbraw/zinc/52/84/15/720528415.db2.gz XFSBPBFWJXWUEQ-KRWDZBQOSA-N 1 0 377.496 2.550 20 0 GFADRO COc1cc2ccnc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)c2cc1F ZINC001164745485 720802127 /nfs/dbraw/zinc/80/21/27/720802127.db2.gz KPOBWKYLJWTHAY-HOTGVXAUSA-N 1 0 395.438 2.514 20 0 GFADRO c1cc2ccnc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c2o1 ZINC001164738747 720815265 /nfs/dbraw/zinc/81/52/65/720815265.db2.gz GEKZUFBNQASAOA-GBESFXJTSA-N 1 0 378.480 2.799 20 0 GFADRO c1ncn(C[C@@H]2C[C@H]3CN(c4nncc5ccccc54)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164737350 720819489 /nfs/dbraw/zinc/81/94/89/720819489.db2.gz AGNRAZIUOKUHHX-IRFCIJBXSA-N 1 0 389.507 2.601 20 0 GFADRO c1cc2nc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)ccc2o1 ZINC001164748967 720833897 /nfs/dbraw/zinc/83/38/97/720833897.db2.gz VFKYBOYMFGXISB-JENIJYKNSA-N 1 0 378.480 2.799 20 0 GFADRO Fc1cnc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c2[nH]ccc21 ZINC001164749485 720841828 /nfs/dbraw/zinc/84/18/28/720841828.db2.gz VXTMLWOTVVXXIH-JTDSTZFVSA-N 1 0 395.486 2.673 20 0 GFADRO CC(C)(C)c1cc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)ncn1 ZINC001164746584 720847194 /nfs/dbraw/zinc/84/71/94/720847194.db2.gz OXZMLWMIFCZFNA-GUDVDZBRSA-N 1 0 395.555 2.745 20 0 GFADRO COCC[N@@H+]1CCO[C@@H]2CN(c3nc(Cl)nc4c(F)cccc43)CC[C@@H]2C1 ZINC001164853732 720850902 /nfs/dbraw/zinc/85/09/02/720850902.db2.gz OTZYFZLIACGCDM-CZUORRHYSA-N 1 0 394.878 2.596 20 0 GFADRO COCC[N@@H+]1CCO[C@@H]2CN(c3nc(SC)nc4ccsc43)CC[C@H]2C1 ZINC001164849676 720851491 /nfs/dbraw/zinc/85/14/91/720851491.db2.gz CMVHMESGEFQINH-DZGCQCFKSA-N 1 0 394.566 2.587 20 0 GFADRO COCC[N@@H+]1CCO[C@H]2CN(c3nnc(Cl)c4cccc(C)c43)CC[C@@H]2C1 ZINC001164853549 720852688 /nfs/dbraw/zinc/85/26/88/720852688.db2.gz HFSFJMKGKBRPHH-WBVHZDCISA-N 1 0 390.915 2.765 20 0 GFADRO COCC[N@@H+]1CCO[C@H]2CN(c3ncnc4ccc(SC)cc43)CC[C@H]2C1 ZINC001164857653 720887236 /nfs/dbraw/zinc/88/72/36/720887236.db2.gz KFUNLCFWKHIUML-KXBFYZLASA-N 1 0 388.537 2.525 20 0 GFADRO COCC[N@@H+]1CCO[C@@H]2CN(c3nc(C4CCC4)nc(Cl)c3C)CC[C@@H]2C1 ZINC001164865083 720887906 /nfs/dbraw/zinc/88/79/06/720887906.db2.gz YEBNFWWIQYNJSI-IAGOWNOFSA-N 1 0 394.947 2.879 20 0 GFADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1nc(Cl)nc3c1COC3)[C@@H]2C ZINC001164859922 720944800 /nfs/dbraw/zinc/94/48/00/720944800.db2.gz ONGOAIXBRPVTOL-GFCCVEGCSA-N 1 0 376.892 2.778 20 0 GFADRO Cc1nc2sccc2c(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164869403 721040432 /nfs/dbraw/zinc/04/04/32/721040432.db2.gz SRRKAQGRTCKDAD-IRXDYDNUSA-N 1 0 381.505 2.874 20 0 GFADRO Clc1cnc(Cl)nc1N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164868667 721050087 /nfs/dbraw/zinc/05/00/87/721050087.db2.gz PGKFDGJSOMEQMO-ZIAGYGMSSA-N 1 0 380.279 2.658 20 0 GFADRO F[C@H](Oc1cccc(Cl)n1)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164865654 721088967 /nfs/dbraw/zinc/08/89/67/721088967.db2.gz OBWBCOMFVSSCDY-BXWFABGCSA-N 1 0 392.862 2.737 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4nccc5cc(Cl)ncc54)C[C@@H]3C2)cn1 ZINC001164769923 721107689 /nfs/dbraw/zinc/10/76/89/721107689.db2.gz QFPXOYYJKRFNRM-SJORKVTESA-N 1 0 382.899 2.975 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4nc5ccccc5nc4Cl)C[C@H]3C2)cn1 ZINC001164767325 721110216 /nfs/dbraw/zinc/11/02/16/721110216.db2.gz MTBPHNYROWTNIH-JKSUJKDBSA-N 1 0 382.899 2.975 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4cc(Cl)nc5ncccc45)C[C@H]3C2)cn1 ZINC001164764070 721119132 /nfs/dbraw/zinc/11/91/32/721119132.db2.gz GSDSTEUGWWUXOV-JKSUJKDBSA-N 1 0 382.899 2.975 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4ncc5c(Cl)cccc5n4)C[C@H]3C2)cn1 ZINC001164763441 721146715 /nfs/dbraw/zinc/14/67/15/721146715.db2.gz FXBVFKMFCZCCCN-JKSUJKDBSA-N 1 0 382.899 2.975 20 0 GFADRO COc1cccc2ncnc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)c21 ZINC001164871638 721151220 /nfs/dbraw/zinc/15/12/20/721151220.db2.gz GBOYZKRTBZBVRB-ROUUACIJSA-N 1 0 391.475 2.513 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4cc5c(Cl)ccnc5cn4)C[C@@H]3C2)cn1 ZINC001164773798 721158411 /nfs/dbraw/zinc/15/84/11/721158411.db2.gz ZAEHINMXIYHKLN-CVEARBPZSA-N 1 0 382.899 2.975 20 0 GFADRO c1cncc(CO[C@@H]2C[C@@H]3CN(c4nccc5c6c([nH]c54)CCC6)CC[N@@H+]3C2)c1 ZINC001164880671 721182014 /nfs/dbraw/zinc/18/20/14/721182014.db2.gz WVODXTGULYRAJK-QZTJIDSGSA-N 1 0 389.503 2.926 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4nccnc4Oc4ccccc4)C[C@@H]3C2)cn1 ZINC001164764953 721226720 /nfs/dbraw/zinc/22/67/20/721226720.db2.gz HIBJBNRRGTXPDW-OALUTQOASA-N 1 0 390.491 2.961 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4nccc5c6c([nH]c54)CCC6)C[C@H]3C2)cn1 ZINC001164766184 721236721 /nfs/dbraw/zinc/23/67/21/721236721.db2.gz STTMIUYUKNIYBN-DLBZAZTESA-N 1 0 376.508 2.743 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4nc(C5CC5)nc5[nH]ccc54)C[C@H]3C2)cn1 ZINC001164764597 721237259 /nfs/dbraw/zinc/23/72/59/721237259.db2.gz OYTBAHOMSZHZBQ-IAGOWNOFSA-N 1 0 377.496 2.527 20 0 GFADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4nncc5ccc(F)cc54)C3)O2)CC1 ZINC001164883980 721416674 /nfs/dbraw/zinc/41/66/74/721416674.db2.gz CUBLXPZYAOOMAJ-DENIHFKCSA-N 1 0 399.514 2.534 20 0 GFADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4ccc(C(C)(C)C)nn4)C3)O2)CC1 ZINC001164897029 721435343 /nfs/dbraw/zinc/43/53/43/721435343.db2.gz SITGNGCONLLBAC-GCJKJVERSA-N 1 0 387.572 2.540 20 0 GFADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cccc(OC)n1)CC2 ZINC001164788697 721453527 /nfs/dbraw/zinc/45/35/27/721453527.db2.gz SQMITBDKHYPTNH-LJQANCHMSA-N 1 0 389.540 2.824 20 0 GFADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncnc(C)c1C)CC2 ZINC001164783629 721456073 /nfs/dbraw/zinc/45/60/73/721456073.db2.gz DXCULVNNTXKGTA-FQEVSTJZSA-N 1 0 388.556 2.827 20 0 GFADRO COC(=O)c1cnc(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)cn1 ZINC001164793422 721489730 /nfs/dbraw/zinc/48/97/30/721489730.db2.gz SEJZHCKCAQHNTE-UHFFFAOYSA-N 1 0 381.480 2.539 20 0 GFADRO Cc1cc(C(N)=O)cc(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)n1 ZINC001164796640 721504180 /nfs/dbraw/zinc/50/41/80/721504180.db2.gz UYVZAJKRIKHCFG-UHFFFAOYSA-N 1 0 379.508 2.765 20 0 GFADRO Fc1cccc(O[C@H]2C[C@H]3CN(c4ncnc5cnc(F)cc54)CC[N@@H+]3C2)c1 ZINC001164898157 721523492 /nfs/dbraw/zinc/52/34/92/721523492.db2.gz ICQINNDSESJJFB-HOCLYGCPSA-N 1 0 383.402 2.645 20 0 GFADRO CCOC(=O)Cc1ccc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)nc1 ZINC001164905266 721534781 /nfs/dbraw/zinc/53/47/81/721534781.db2.gz HZOKOEWJWFYLEL-QUCCMNQESA-N 1 0 399.466 2.668 20 0 GFADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cc(Cl)nc3nc[nH]c32)[C@H]2CCCO[C@H]12 ZINC001164808397 721549183 /nfs/dbraw/zinc/54/91/83/721549183.db2.gz RWMHWYZXRHPYJB-GMBSWORKSA-N 1 0 398.898 2.875 20 0 GFADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ccc3cccnc3n2)[C@@H]2CCCO[C@@H]12 ZINC001164803646 721549938 /nfs/dbraw/zinc/54/99/38/721549938.db2.gz ILHADTURZPONLB-SFHLNBCPSA-N 1 0 375.476 2.893 20 0 GFADRO Fc1cccc(O[C@H]2C[C@H]3CN(c4ccnc(N5CCCCC5)n4)CC[N@@H+]3C2)c1 ZINC001164906965 721551833 /nfs/dbraw/zinc/55/18/33/721551833.db2.gz LLCCYTGWQPMLQO-ICSRJNTNSA-N 1 0 397.498 2.948 20 0 GFADRO CCN(CC)c1cc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)ncn1 ZINC001164808809 721567484 /nfs/dbraw/zinc/56/74/84/721567484.db2.gz VSCTZYSBFGCLEP-CNNODRBYSA-N 1 0 396.539 2.586 20 0 GFADRO COc1nccnc1N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164901830 721583181 /nfs/dbraw/zinc/58/31/81/721583181.db2.gz BGPXSXPQUIDRCN-GOSISDBHSA-N 1 0 375.423 2.618 20 0 GFADRO COC(=O)c1cc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)ncc1N ZINC001165026908 721807275 /nfs/dbraw/zinc/80/72/75/721807275.db2.gz SEEOAEXYGMJAIJ-CVAIRZPRSA-N 1 0 395.507 2.582 20 0 GFADRO Cc1ccnc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)c1C(N)=O ZINC001165021570 721809761 /nfs/dbraw/zinc/80/97/61/721809761.db2.gz DOLUZONWKUUKDQ-QXAKKESOSA-N 1 0 379.508 2.621 20 0 GFADRO CCOC(=O)c1cc2c(N3CC[C@@H]4[C@@H]3CC[N@@H+]4CCN(C)C)[nH]c(C)c(C)c-2n1 ZINC001164922623 721869212 /nfs/dbraw/zinc/86/92/12/721869212.db2.gz HIVLFBGNBPDZHS-MOPGFXCFSA-N 1 0 399.539 2.571 20 0 GFADRO Cc1cc(N2CC[C@H]3[C@H]2CC[N@H+]3CCN(C)C)nc(-c2ccc(Cl)nc2)n1 ZINC001164933525 721886669 /nfs/dbraw/zinc/88/66/69/721886669.db2.gz MOPVAHUQMYSSBU-DLBZAZTESA-N 1 0 386.931 2.715 20 0 GFADRO c1ccc2nc(N3CC[NH+](C[C@@H]4CCCO4)CC3)c(N3CCCCC3)nc2c1 ZINC000677878242 721916709 /nfs/dbraw/zinc/91/67/09/721916709.db2.gz RRIIUXTUBJFZNK-SFHVURJKSA-N 1 0 381.524 2.921 20 0 GFADRO Cc1cc2[nH]ccc2c(N2CCC3(CC2)C(=O)NCCN3Cc2ccccc2)[nH+]1 ZINC001164947738 721974862 /nfs/dbraw/zinc/97/48/62/721974862.db2.gz RUTNKCJXLDZUHL-UHFFFAOYSA-N 1 0 389.503 2.842 20 0 GFADRO CCOC(=O)c1ccnc(N2CCC([NH+](CC)CC)CC2)c1C(=O)OCC ZINC001165054681 722007741 /nfs/dbraw/zinc/00/77/41/722007741.db2.gz XNLIZJNJGZWTJQ-UHFFFAOYSA-N 1 0 377.485 2.746 20 0 GFADRO COc1cc2nc(C)nc(N3CC[NH+](CCc4ccccn4)CC3)c2cc1OC ZINC001165056662 722013224 /nfs/dbraw/zinc/01/32/24/722013224.db2.gz ZUPXDHUMRNPQMK-UHFFFAOYSA-N 1 0 393.491 2.715 20 0 GFADRO c1ncn(Cc2ccc(N3CCC4(CC[N@H+](Cc5cccnc5)C4)CC3)nc2)n1 ZINC001164955413 722021791 /nfs/dbraw/zinc/02/17/91/722021791.db2.gz FPYQPOIHJSCLRF-UHFFFAOYSA-N 1 0 389.507 2.609 20 0 GFADRO COc1cc(C)cnc1N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164959959 722058404 /nfs/dbraw/zinc/05/84/04/722058404.db2.gz ANINLJHIPZLJJT-UHFFFAOYSA-N 1 0 382.508 2.913 20 0 GFADRO Clc1nnc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c2occc21 ZINC001164977048 722129549 /nfs/dbraw/zinc/12/95/49/722129549.db2.gz IDQNXDPGIFOXOL-NVXWUHKLSA-N 1 0 399.882 2.999 20 0 GFADRO Clc1ccc2nc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)[nH]c2n1 ZINC001164978876 722134808 /nfs/dbraw/zinc/13/48/08/722134808.db2.gz KFPUSJDQFTXKLT-RDJZCZTQSA-N 1 0 398.898 2.734 20 0 GFADRO c1cncc(C[N@@H+]2CCO[C@H]3CN(c4nccnc4OC4CCC4)CC[C@H]3C2)c1 ZINC001164976282 722152246 /nfs/dbraw/zinc/15/22/46/722152246.db2.gz WNDCEEXVRZFGTI-ICSRJNTNSA-N 1 0 395.507 2.530 20 0 GFADRO CN(C)c1nc(N2CCC[C@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)nc2nc[nH]c21 ZINC001164995071 722203055 /nfs/dbraw/zinc/20/30/55/722203055.db2.gz LAFALKGFJQMUAI-NRFANRHFSA-N 1 0 395.486 2.803 20 0 GFADRO Cc1cccc2c1ncnc2N1CCCn2cnc(COCC[NH+](C)C)c2C1 ZINC001164999846 722251859 /nfs/dbraw/zinc/25/18/59/722251859.db2.gz GYDVFGDPFBDKFR-UHFFFAOYSA-N 1 0 380.496 2.623 20 0 GFADRO C[N@@H+]1CC[C@@H]2CCN(S(=O)(=O)c3cc(Cl)ccc3Br)[C@H]2C1 ZINC000429819649 563523670 /nfs/dbraw/zinc/52/36/70/563523670.db2.gz JLEQSPYHMOOLIP-MFKMUULPSA-N 1 0 393.734 2.817 20 0 GFADRO Cc1ccc(Cc2nnc(NC(=O)NCCN3CCSCC3)s2)cc1 ZINC000602377695 532689912 /nfs/dbraw/zinc/68/99/12/532689912.db2.gz WYMSKTVMLVPJCX-UHFFFAOYSA-N 1 0 377.539 2.608 20 0 GFADRO CCC(=O)Nc1ccc(NC(=O)CC[NH+]2CCN(c3ccccn3)CC2)cc1 ZINC000029549373 209243439 /nfs/dbraw/zinc/24/34/39/209243439.db2.gz CXUHSCLMHARXGE-UHFFFAOYSA-N 1 0 381.480 2.581 20 0 GFADRO CC1(O)C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(OCCN2CCOCC2)c(Cl)c1 ZINC000359902832 209202586 /nfs/dbraw/zinc/20/25/86/209202586.db2.gz UHLDYYGFVLMGEY-HTZLVSCSSA-N 1 0 394.943 2.929 20 0 GFADRO Cc1nn(C)c(N2CCOCC2)c1C[N@H+]1CCC[C@@H]1Cn1ccnc1C(C)C ZINC000359872004 209197679 /nfs/dbraw/zinc/19/76/79/209197679.db2.gz KQPGAOYKOKPJMB-GOSISDBHSA-N 1 0 386.544 2.550 20 0 GFADRO Cc1nn(C)c(C)c1[C@@H](NC(=O)N1CCC[C@H]1C[NH+]1CCCC1)C(F)(F)F ZINC000359864807 209195878 /nfs/dbraw/zinc/19/58/78/209195878.db2.gz DRDWEBGXZVQYOX-GOEBONIOSA-N 1 0 387.450 2.910 20 0 GFADRO C[C@@H]([NH2+][C@H]1CCCN(S(C)(=O)=O)C1)c1ccc(Br)cc1F ZINC000400153818 563534465 /nfs/dbraw/zinc/53/44/65/563534465.db2.gz CRRXQLXXUHUUPO-PWSUYJOCSA-N 1 0 379.295 2.663 20 0 GFADRO C[C@@H]1CCCN(C(=O)c2csc(I)c2)[C@H]1CC[NH3+] ZINC000404359234 563536952 /nfs/dbraw/zinc/53/69/52/563536952.db2.gz NDXWKMIBQZAOJK-KOLCDFICSA-N 1 0 378.279 2.942 20 0 GFADRO Cc1cc(Br)c(NC(=O)C(=O)NC[C@@H](C)C[NH+](C)C)cc1Cl ZINC000411553296 563623080 /nfs/dbraw/zinc/62/30/80/563623080.db2.gz QYWNJVWISJQOIL-SECBINFHSA-N 1 0 390.709 2.663 20 0 GFADRO Cc1cc(S(=O)(=O)N2CCC[C@H]2C[NH+](C)C)c(C)cc1Br ZINC000435210254 563644620 /nfs/dbraw/zinc/64/46/20/563644620.db2.gz HVTJLPWZHHGCON-ZDUSSCGKSA-N 1 0 375.332 2.781 20 0 GFADRO C[C@H](NS(=O)(=O)c1cc(Cl)ccc1Br)[C@@H]1CCC[NH2+]C1 ZINC000440732752 563749054 /nfs/dbraw/zinc/74/90/54/563749054.db2.gz IHXQHEOYDDDCKI-VHSXEESVSA-N 1 0 381.723 2.769 20 0 GFADRO Cc1ccc(Br)cc1S(=O)(=O)NCCC[NH+]1CCCCC1 ZINC000007709783 551101465 /nfs/dbraw/zinc/10/14/65/551101465.db2.gz XIYFKEODDRMCGV-UHFFFAOYSA-N 1 0 375.332 2.912 20 0 GFADRO C[C@H]1C[NH+](C(C)(C)CNC(=O)Cc2ccc(Br)cc2)C[C@H](C)O1 ZINC000021057153 551116032 /nfs/dbraw/zinc/11/60/32/551116032.db2.gz BSBHAYVWZRHDDL-KBPBESRZSA-N 1 0 383.330 2.996 20 0 GFADRO COCC[N@@H+](CC(=O)Nc1cccc(I)c1)CC(C)C ZINC000026449945 551120999 /nfs/dbraw/zinc/12/09/99/551120999.db2.gz PUAHLASUUFRNNF-UHFFFAOYSA-N 1 0 390.265 2.834 20 0 GFADRO COCC[N@@H+](CC(=O)Nc1ccccc1I)CC(C)C ZINC000026449915 551121250 /nfs/dbraw/zinc/12/12/50/551121250.db2.gz SLLFVOMDTWHQLR-UHFFFAOYSA-N 1 0 390.265 2.834 20 0 GFADRO C[C@@H]1c2ccsc2CC[N@H+]1CCOc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000027371947 551122719 /nfs/dbraw/zinc/12/27/19/551122719.db2.gz OKONWBNUIJQZEX-CQSZACIVSA-N 1 0 380.535 2.997 20 0 GFADRO COc1cc(Br)c(C[NH2+]C2CCN(C(=O)C3CC3)CC2)cc1OC ZINC000042209416 551138670 /nfs/dbraw/zinc/13/86/70/551138670.db2.gz SVHNKAFVQSGKOJ-UHFFFAOYSA-N 1 0 397.313 2.957 20 0 GFADRO O=C(c1cccc(I)c1)N1CC[NH+](C2CCCC2)CC1 ZINC000045083800 551145732 /nfs/dbraw/zinc/14/57/32/551145732.db2.gz UHAVMEBLIQYKQH-UHFFFAOYSA-N 1 0 384.261 2.992 20 0 GFADRO C[C@H](CNS(=O)(=O)c1sccc1Br)C[NH+]1CCCCC1 ZINC000048445576 551156499 /nfs/dbraw/zinc/15/64/99/551156499.db2.gz GWUXVBQDHKIUFA-LLVKDONJSA-N 1 0 381.361 2.911 20 0 GFADRO CCC[N@@H+]1CC[C@H](CNC(=O)NCC(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000054510338 551169320 /nfs/dbraw/zinc/16/93/20/551169320.db2.gz KVLLKWVSEGYKAD-GFCCVEGCSA-N 1 0 387.311 2.963 20 0 GFADRO CN(CC(=O)Nc1ccccc1C[NH+](C)C)C(=O)c1ccc(Br)o1 ZINC000054774033 551170072 /nfs/dbraw/zinc/17/00/72/551170072.db2.gz UOJDFQOFXTUONK-UHFFFAOYSA-N 1 0 394.269 2.814 20 0 GFADRO Cc1ccc(S(=O)(=O)NC[C@H](C)C[NH+]2CCCC2)c(Br)c1 ZINC000055265226 551172169 /nfs/dbraw/zinc/17/21/69/551172169.db2.gz YUFWTCRCIRFSRL-ZDUSSCGKSA-N 1 0 375.332 2.768 20 0 GFADRO O=C(c1cnn(-c2ccc(Br)cc2)c1)N1CC[NH+](CC2CC2)CC1 ZINC000055673849 551174354 /nfs/dbraw/zinc/17/43/54/551174354.db2.gz LLGRQOFYGANLTA-UHFFFAOYSA-N 1 0 389.297 2.803 20 0 GFADRO C[C@@H](NC(=O)NCCC[NH+](C)C)c1cc2c(cc1Br)OCCO2 ZINC000056991449 551179319 /nfs/dbraw/zinc/17/93/19/551179319.db2.gz OTJDTXBMYNKJTR-LLVKDONJSA-N 1 0 386.290 2.532 20 0 GFADRO COCC[N@H+](C)CCNC(=O)NC(C)(C)Cc1ccc(Br)cc1 ZINC000067421234 551189026 /nfs/dbraw/zinc/18/90/26/551189026.db2.gz VWWMBTKDTRQSFI-UHFFFAOYSA-N 1 0 386.334 2.648 20 0 GFADRO CC[C@H](CO)[NH+]1CCN(Cc2nc(-c3cccc(Br)c3)c[nH]2)CC1 ZINC000093739738 551195743 /nfs/dbraw/zinc/19/57/43/551195743.db2.gz UZGSPPRLBHGULO-MRXNPFEDSA-N 1 0 393.329 2.728 20 0 GFADRO O=C(NCc1ccc(C[NH+]2CCC(O)CC2)cc1)c1coc(Br)c1 ZINC000104924916 551198954 /nfs/dbraw/zinc/19/89/54/551198954.db2.gz UBNDHHBNZAKUMU-UHFFFAOYSA-N 1 0 393.281 2.929 20 0 GFADRO O=C(NCc1ccc(C[NH+]2CCC(O)CC2)cc1)c1cc(Br)c[nH]1 ZINC000104923294 551199186 /nfs/dbraw/zinc/19/91/86/551199186.db2.gz RTNSESLKVFGOHG-UHFFFAOYSA-N 1 0 392.297 2.664 20 0 GFADRO C[NH+](C)C1(CNC(=O)CCOc2ccc(Cl)cc2Cl)CCOCC1 ZINC000114055007 551208715 /nfs/dbraw/zinc/20/87/15/551208715.db2.gz PWXUGTZNRGETMK-UHFFFAOYSA-N 1 0 375.296 2.989 20 0 GFADRO C[C@H]1C[C@H](N(C)C(=O)Cc2cccc(I)c2)CC[N@@H+]1C ZINC000119134010 551214955 /nfs/dbraw/zinc/21/49/55/551214955.db2.gz JGKYNXOVQPOSBW-SWLSCSKDSA-N 1 0 386.277 2.775 20 0 GFADRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)S(=O)(=O)Cc1ccc(Br)cc1 ZINC000120915387 551222888 /nfs/dbraw/zinc/22/28/88/551222888.db2.gz YYUKMYGXXGSPKL-WFASDCNBSA-N 1 0 375.332 2.551 20 0 GFADRO CCC[NH+]1CCC(CNC(=O)C(=O)Nc2cccc(C)c2Br)CC1 ZINC000121051757 551226265 /nfs/dbraw/zinc/22/62/65/551226265.db2.gz ODOCWSMHVGUMDT-UHFFFAOYSA-N 1 0 396.329 2.934 20 0 GFADRO COCCN(CC[NH+](C)C)C(=O)NCC1(c2ccccc2Br)CC1 ZINC000121092055 551226929 /nfs/dbraw/zinc/22/69/29/551226929.db2.gz MXFXUAWNKDNXBA-UHFFFAOYSA-N 1 0 398.345 2.700 20 0 GFADRO C[NH2+]CCCNC(=O)Cc1ccc(NC(=O)c2ccc(Br)o2)cc1 ZINC000121386953 551233386 /nfs/dbraw/zinc/23/33/86/551233386.db2.gz JDGGDGFOPDDRHA-UHFFFAOYSA-N 1 0 394.269 2.563 20 0 GFADRO C[C@@H](CNC(=O)C(C)(C)c1ccc(Br)cc1)C[NH+]1CCN(C)CC1 ZINC000121738038 551241398 /nfs/dbraw/zinc/24/13/98/551241398.db2.gz BLFQPIYGNPFFDV-HNNXBMFYSA-N 1 0 396.373 2.726 20 0 GFADRO C[C@H](NC(=O)Nc1cc(F)c(Br)cc1F)[C@H](C)N1CCOCC1 ZINC000121777783 551242370 /nfs/dbraw/zinc/24/23/70/551242370.db2.gz GVYXCMQECSNTEQ-UWVGGRQHSA-N 1 0 392.244 2.958 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)c1cnn(-c2cccc(Br)c2)c1 ZINC000121852706 551244269 /nfs/dbraw/zinc/24/42/69/551244269.db2.gz QBRZFKVBDLTRJN-LRDDRELGSA-N 1 0 377.286 2.977 20 0 GFADRO Cc1cc(Br)ccc1C[NH2+]CCNS(=O)(=O)c1cccs1 ZINC000122205025 551295691 /nfs/dbraw/zinc/29/56/91/551295691.db2.gz NCFBCSKRKTUODV-UHFFFAOYSA-N 1 0 389.340 2.887 20 0 GFADRO O=S(=O)(NCC[NH2+]Cc1cccc(OC(F)(F)F)c1)c1cccs1 ZINC000122248809 551296068 /nfs/dbraw/zinc/29/60/68/551296068.db2.gz QCHDCWSJLIFJKT-UHFFFAOYSA-N 1 0 380.413 2.715 20 0 GFADRO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)Nc2cccc(S(=O)(=O)C(F)F)c2)C1 ZINC000122242250 551296208 /nfs/dbraw/zinc/29/62/08/551296208.db2.gz IVJJCTRCWUHPLF-RISCZKNCSA-N 1 0 375.441 2.533 20 0 GFADRO CC(C)C[N@H+](CCCN1C(=O)CNC1=O)Cc1ccccc1Br ZINC000122529438 551299135 /nfs/dbraw/zinc/29/91/35/551299135.db2.gz YRHVXYDGOAMAPL-UHFFFAOYSA-N 1 0 382.302 2.849 20 0 GFADRO CC(C)[C@@H](CNC(=O)C(=O)Nc1cccc(Br)c1)[NH+]1CCCC1 ZINC000122807065 551302223 /nfs/dbraw/zinc/30/22/23/551302223.db2.gz VEDVGYGAFNFFEL-OAHLLOKOSA-N 1 0 382.302 2.624 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)C(=O)NC1CC[NH+](CC(C)C)CC1 ZINC000125193486 551320516 /nfs/dbraw/zinc/32/05/16/551320516.db2.gz HJFIOFYFJBCTTG-UHFFFAOYSA-N 1 0 396.329 2.933 20 0 GFADRO COC[C@H](O)C[NH2+]Cc1cn(-c2ccc(Br)cc2)nc1C(C)C ZINC000125661725 551322652 /nfs/dbraw/zinc/32/26/52/551322652.db2.gz AMSJATLXWOCKAT-MRXNPFEDSA-N 1 0 382.302 2.855 20 0 GFADRO COc1ccc(I)c(NC(=O)N2CC[NH2+]C(C)(C)C2)c1 ZINC000415077941 563758817 /nfs/dbraw/zinc/75/88/17/563758817.db2.gz UVFNFXHBWMEDNG-UHFFFAOYSA-N 1 0 389.237 2.516 20 0 GFADRO Cn1cc(NC(=O)c2cccc(C[NH+]3CCCC3)c2)cc(Br)c1=O ZINC000127099650 551336657 /nfs/dbraw/zinc/33/66/57/551336657.db2.gz QLYFEZRJAYHWKJ-UHFFFAOYSA-N 1 0 390.281 2.996 20 0 GFADRO CCc1ncsc1NC(=O)C(=O)NC[C@H](c1ccsc1)[NH+](CC)CC ZINC000127681684 551343146 /nfs/dbraw/zinc/34/31/46/551343146.db2.gz JORKTTUVMCXFEU-CQSZACIVSA-N 1 0 380.539 2.905 20 0 GFADRO Cc1ccc(Br)c(S(=O)(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000127766894 551344681 /nfs/dbraw/zinc/34/46/81/551344681.db2.gz AESQDPOYWWRFQK-AWEZNQCLSA-N 1 0 387.343 2.864 20 0 GFADRO CCN(CCC[NH2+][C@@H](C)c1sc(-c2cccnc2)nc1C)S(C)(=O)=O ZINC000128335739 551349174 /nfs/dbraw/zinc/34/91/74/551349174.db2.gz MRWZQCZBJOABLY-ZDUSSCGKSA-N 1 0 382.555 2.836 20 0 GFADRO O=C(c1cn(-c2ccc(Br)cc2)cn1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000128558219 551350456 /nfs/dbraw/zinc/35/04/56/551350456.db2.gz FHICHZCCBANKTG-INIZCTEOSA-N 1 0 389.297 2.945 20 0 GFADRO Cc1ccc(NC(=O)C(=O)NCCC2CC[NH+](C)CC2)cc1Br ZINC000128974814 551354221 /nfs/dbraw/zinc/35/42/21/551354221.db2.gz GNFPDXGSOAVHBC-UHFFFAOYSA-N 1 0 382.302 2.544 20 0 GFADRO OCC1(C[NH2+]Cc2nc(-c3cccc(Br)c3)c[nH]2)CCOCC1 ZINC000129997186 551360600 /nfs/dbraw/zinc/36/06/00/551360600.db2.gz MFMWIEZAOSGQJN-UHFFFAOYSA-N 1 0 380.286 2.718 20 0 GFADRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)c1ccccc1OC(F)F ZINC000130477116 551365127 /nfs/dbraw/zinc/36/51/27/551365127.db2.gz OQPFONGTWAGJGS-HZSPNIEDSA-N 1 0 376.469 2.933 20 0 GFADRO COCC[C@H](Cc1cccc(Br)c1)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000130678592 551367880 /nfs/dbraw/zinc/36/78/80/551367880.db2.gz MZWTZCMAOLZGCR-NVXWUHKLSA-N 1 0 383.330 2.903 20 0 GFADRO O[C@@H](C[NH2+]Cc1ccc2c(c1)OCCO2)COc1ccccc1Br ZINC000131030698 551371393 /nfs/dbraw/zinc/37/13/93/551371393.db2.gz RHQKVKVVDDXJCQ-AWEZNQCLSA-N 1 0 394.265 2.750 20 0 GFADRO O=C(NCCCC[N@H+]1CCC[C@H]1CO)c1cc2ccc(Br)cc2[nH]1 ZINC000131590819 551375527 /nfs/dbraw/zinc/37/55/27/551375527.db2.gz UIUGRSDEFKWIHL-HNNXBMFYSA-N 1 0 394.313 2.897 20 0 GFADRO C[NH2+][C@@H]1CCCN(C(=O)c2cc(I)ccc2Cl)C1 ZINC000133431754 551383082 /nfs/dbraw/zinc/38/30/82/551383082.db2.gz CKJYCCLVNJTGGR-SNVBAGLBSA-N 1 0 378.641 2.769 20 0 GFADRO CC[C@]1(C(=O)N2CCN(C(=O)c3c(Cl)cccc3Cl)CC2)CCC[NH2+]1 ZINC000134431356 551385304 /nfs/dbraw/zinc/38/53/04/551385304.db2.gz JOGPUSCEGPMAIB-GOSISDBHSA-N 1 0 384.307 2.810 20 0 GFADRO CC[C@@]1(C(=O)N[C@H](C)c2cc3c(cc2Br)OCCO3)CCC[NH2+]1 ZINC000134427216 551385329 /nfs/dbraw/zinc/38/53/29/551385329.db2.gz JHYJMNNVIQZVKE-DIFFPNOSSA-N 1 0 383.286 2.930 20 0 GFADRO C[NH+]1CCC(CCNC(=O)NCCOc2ncc(Cl)cc2Cl)CC1 ZINC000134820752 551386364 /nfs/dbraw/zinc/38/63/64/551386364.db2.gz UEDZIHLUHNWSDU-UHFFFAOYSA-N 1 0 375.300 2.798 20 0 GFADRO CS(=O)(=O)N1CCC([NH2+]Cc2cc(Br)ccc2Cl)CC1 ZINC000135855254 551389561 /nfs/dbraw/zinc/38/95/61/551389561.db2.gz BZDNVZTZQDTKBU-UHFFFAOYSA-N 1 0 381.723 2.616 20 0 GFADRO C[N@@H+]1CCC[C@H]1CNC(=O)NC[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000139777999 551392600 /nfs/dbraw/zinc/39/26/00/551392600.db2.gz NSWAROYZTOZQNS-YOEHRIQHSA-N 1 0 395.345 2.669 20 0 GFADRO Cc1ncsc1C(=O)N1CCCN(C[C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000141895046 551394879 /nfs/dbraw/zinc/39/48/79/551394879.db2.gz FGYZTZXTFJLVSR-MRXNPFEDSA-N 1 0 379.913 2.986 20 0 GFADRO O=C(N[C@H]1CC[N@@H+](C2CC2)C1)[C@@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1 ZINC000144237853 551395654 /nfs/dbraw/zinc/39/56/54/551395654.db2.gz IRLVZMNPSFTOKE-RISCZKNCSA-N 1 0 382.291 2.699 20 0 GFADRO C[C@@H](NC(=O)CN1CCC[N@@H+](C2CC2)CC1)c1ccc(Br)cc1 ZINC000145747737 551396924 /nfs/dbraw/zinc/39/69/24/551396924.db2.gz RPNPKESORXWPQA-CQSZACIVSA-N 1 0 380.330 2.796 20 0 GFADRO O=C(c1ccc(F)cc1I)N1CCC[N@@H+](C2CC2)CC1 ZINC000148943489 551398439 /nfs/dbraw/zinc/39/84/39/551398439.db2.gz SQHYMFXGCIGAAK-UHFFFAOYSA-N 1 0 388.224 2.741 20 0 GFADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)NCCOc2ncc(Cl)cc2Cl)C1 ZINC000150901075 551403458 /nfs/dbraw/zinc/40/34/58/551403458.db2.gz ZQHIEISUSORYAX-LBPRGKRZSA-N 1 0 375.300 2.750 20 0 GFADRO CCS(=O)(=O)NCCC[NH2+]C1(c2cccc(Br)c2)CCC1 ZINC000151617869 551418333 /nfs/dbraw/zinc/41/83/33/551418333.db2.gz IVNBUSUETWDJCT-UHFFFAOYSA-N 1 0 375.332 2.747 20 0 GFADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)Nc1ccc(Cl)c(Br)c1 ZINC000151660237 551418998 /nfs/dbraw/zinc/41/89/98/551418998.db2.gz BTVBWJHPZKQOHD-LLVKDONJSA-N 1 0 389.725 2.860 20 0 GFADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N1CCc2c(Cl)cc(Cl)cc2C1 ZINC000151757236 551420534 /nfs/dbraw/zinc/42/05/34/551420534.db2.gz NBNDCMLXFSWYGL-ZDUSSCGKSA-N 1 0 385.339 2.697 20 0 GFADRO CNC(=O)CN1CCC([NH2+][C@H]2C[C@@H](C)c3c2cccc3Br)CC1 ZINC000152003692 551424341 /nfs/dbraw/zinc/42/43/41/551424341.db2.gz BVBBRWWGYCLXLD-WBMJQRKESA-N 1 0 380.330 2.797 20 0 GFADRO CNC(=O)CN1CCC([NH2+][C@@H](C)c2cc(Cl)ccc2OC(F)F)CC1 ZINC000152005895 551424673 /nfs/dbraw/zinc/42/46/73/551424673.db2.gz COGFJKMJCBOWOI-NSHDSACASA-N 1 0 375.847 2.802 20 0 GFADRO C[N@H+](CC(=O)Nc1c(F)cc(F)cc1Br)CC1(O)CCCC1 ZINC000152111950 551426571 /nfs/dbraw/zinc/42/65/71/551426571.db2.gz IRHSPIYOMYKPOC-UHFFFAOYSA-N 1 0 377.229 2.903 20 0 GFADRO O=C(NCCCC[N@H+]1CCC[C@H]1CO)c1cc(F)c(F)cc1Br ZINC000152206399 551428448 /nfs/dbraw/zinc/42/84/48/551428448.db2.gz RZMBGVRDVGCUMO-NSHDSACASA-N 1 0 391.256 2.694 20 0 GFADRO C[NH2+]CC1CCN(C(=O)[C@@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)CC1 ZINC000152273818 551429528 /nfs/dbraw/zinc/42/95/28/551429528.db2.gz KFCJOPFKWRFEHN-AWEZNQCLSA-N 1 0 384.307 2.804 20 0 GFADRO COCC[NH2+]CCNC(=O)CCc1nc2cc(C(F)(F)F)ccc2s1 ZINC000152379100 551431983 /nfs/dbraw/zinc/43/19/83/551431983.db2.gz WATFGRNDIQITJE-UHFFFAOYSA-N 1 0 375.416 2.600 20 0 GFADRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)NCc2ccc(O)c(Br)c2)C1 ZINC000152409280 551432544 /nfs/dbraw/zinc/43/25/44/551432544.db2.gz LHKBCYZCBWKHEB-AWEZNQCLSA-N 1 0 384.318 2.932 20 0 GFADRO C[C@@H](C(=O)N1CCC(c2nc(C(F)(F)F)c[nH]2)CC1)N1CCSCC1 ZINC000152972763 551443897 /nfs/dbraw/zinc/44/38/97/551443897.db2.gz UKCXRCFKXXLABR-NSHDSACASA-N 1 0 376.448 2.572 20 0 GFADRO NC(=O)C1(C[NH2+][C@@H]2CCCOc3cc(Br)ccc32)CCOCC1 ZINC000153199795 551448018 /nfs/dbraw/zinc/44/80/18/551448018.db2.gz ZVXLBQSXNIVIGY-CQSZACIVSA-N 1 0 383.286 2.535 20 0 GFADRO C[C@H]1CN(C(=O)CCc2nc(-c3cc(Br)cs3)no2)C[C@H](C)[NH2+]1 ZINC000153228938 551448957 /nfs/dbraw/zinc/44/89/57/551448957.db2.gz GYYFVWWGORRQSK-UWVGGRQHSA-N 1 0 399.314 2.702 20 0 GFADRO C[C@@H](CC(=O)NC[C@H](O)COc1cccc(Cl)c1Cl)C1CC[NH2+]CC1 ZINC000153262861 551449607 /nfs/dbraw/zinc/44/96/07/551449607.db2.gz NIJIDTIWJATHPG-JSGCOSHPSA-N 1 0 389.323 2.875 20 0 GFADRO C[C@H](C[NH2+][C@H](C)CC(=O)Nc1ccc(Br)cc1)CN1CCOCC1 ZINC000153308176 551449858 /nfs/dbraw/zinc/44/98/58/551449858.db2.gz RXSANJROWLXRKP-HUUCEWRRSA-N 1 0 398.345 2.724 20 0 GFADRO O[C@@H](COc1ccc(Cl)cc1Br)C[N@@H+]1CC[C@]2(CCOC2)C1 ZINC000153549923 551455435 /nfs/dbraw/zinc/45/54/35/551455435.db2.gz TXPQGNALVQXFNI-CJNGLKHVSA-N 1 0 390.705 2.955 20 0 GFADRO C[C@H](Cn1cc(Br)cn1)[NH2+]C[C@@H](c1cccs1)N1CCOCC1 ZINC000153691555 551458403 /nfs/dbraw/zinc/45/84/03/551458403.db2.gz KACIVFWOBSTXNA-HIFRSBDPSA-N 1 0 399.358 2.759 20 0 GFADRO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)c1cc(Br)c2c(c1)OCCO2 ZINC000153765892 551460018 /nfs/dbraw/zinc/46/00/18/551460018.db2.gz RRVWZILQAXMGPY-AWEZNQCLSA-N 1 0 383.286 2.633 20 0 GFADRO CCCn1c2ccc(S(N)(=O)=O)cc2nc1SCC[C@@H]1CCC[N@@H+]1C ZINC000153943249 551463391 /nfs/dbraw/zinc/46/33/91/551463391.db2.gz CRFLRDIXIRIUSY-ZDUSSCGKSA-N 1 0 382.555 2.670 20 0 GFADRO O=C(NCc1cc(Br)ccc1F)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC000154344219 551472949 /nfs/dbraw/zinc/47/29/49/551472949.db2.gz DMZKZCULXWGNLI-MRXNPFEDSA-N 1 0 385.277 2.848 20 0 GFADRO C[NH+](C)[C@H]1CCN(C(=O)c2cc(I)ccc2Cl)C1 ZINC000154431822 551475082 /nfs/dbraw/zinc/47/50/82/551475082.db2.gz QLTBGGDYARMPPB-JTQLQIEISA-N 1 0 378.641 2.721 20 0 GFADRO Cc1ccc(Br)c(NC(=O)C(=O)NC[C@@H]2CC[N@@H+](CC(C)C)C2)c1 ZINC000154503153 551476461 /nfs/dbraw/zinc/47/64/61/551476461.db2.gz WHXJQXYEPYTOPO-AWEZNQCLSA-N 1 0 396.329 2.790 20 0 GFADRO CC[NH+]1CCC(N(C)S(=O)(=O)c2ccc(Br)cc2F)CC1 ZINC000154510136 551476789 /nfs/dbraw/zinc/47/67/89/551476789.db2.gz UJAKDXXKWIXCFP-UHFFFAOYSA-N 1 0 379.295 2.693 20 0 GFADRO CC(C)(CO)CNC(=O)NC1CCN(Cc2ccc(Br)cc2)CC1 ZINC000154620165 551479367 /nfs/dbraw/zinc/47/93/67/551479367.db2.gz AKERCEQQDLHLSX-UHFFFAOYSA-N 1 0 398.345 2.731 20 0 GFADRO CC[NH+](CC)CCCNC(=O)c1cc(=O)[nH]c2ccc(Br)cc21 ZINC000154733334 551481911 /nfs/dbraw/zinc/48/19/11/551481911.db2.gz XSKGCHOUQOUZHJ-UHFFFAOYSA-N 1 0 380.286 2.752 20 0 GFADRO [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)NCCNC(=O)c1cccc(Br)c1 ZINC000154867769 551484816 /nfs/dbraw/zinc/48/48/16/551484816.db2.gz NTTUFRBZZLEEHJ-JKSUJKDBSA-N 1 0 396.329 2.593 20 0 GFADRO CC[C@H](C)[N@H+](C)CCNC(=O)Nc1cc(Br)cnc1-n1cccn1 ZINC000154978660 551487777 /nfs/dbraw/zinc/48/77/77/551487777.db2.gz KPYVPSQDAYPLOA-LBPRGKRZSA-N 1 0 395.305 2.882 20 0 GFADRO C[C@@H](NC(=O)CSc1nnc(-c2cccs2)n1C)C(C)(C)C[NH+](C)C ZINC000155036005 551489290 /nfs/dbraw/zinc/48/92/90/551489290.db2.gz NRCSTCOXZABNRR-GFCCVEGCSA-N 1 0 381.571 2.728 20 0 GFADRO CC(C)NC(=O)C[NH+]1CCC(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000155163640 551493186 /nfs/dbraw/zinc/49/31/86/551493186.db2.gz LHBONUCRHZEAQC-UHFFFAOYSA-N 1 0 382.302 2.624 20 0 GFADRO CC[C@H](C)[C@H]([NH3+])C(=O)N1CCC(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000155386417 551498909 /nfs/dbraw/zinc/49/89/09/551498909.db2.gz ILTPJPUENVJFBI-LRDDRELGSA-N 1 0 396.329 3.000 20 0 GFADRO CC[N@H+](CCNC(=O)C(=O)Nc1ccc(Cl)c(Br)c1)C(C)C ZINC000155600932 551503726 /nfs/dbraw/zinc/50/37/26/551503726.db2.gz RIMXUSGBXRPBOW-UHFFFAOYSA-N 1 0 390.709 2.888 20 0 GFADRO C[C@H]1CCC[N@@H+]1C1CCN(C(=O)Nc2cc(Br)cn(C)c2=O)CC1 ZINC000156015731 551512692 /nfs/dbraw/zinc/51/26/92/551512692.db2.gz WYAKQSHSNIUPHJ-LBPRGKRZSA-N 1 0 397.317 2.628 20 0 GFADRO Cn1cc(NC(=O)N2CC[NH+](CCC(C)(C)C)CC2)cc(Br)c1=O ZINC000156212089 551517016 /nfs/dbraw/zinc/51/70/16/551517016.db2.gz AMQDCKCDCCORRJ-UHFFFAOYSA-N 1 0 399.333 2.734 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)c2ccc(S(=O)(=O)c3ccccc3)s2)C1 ZINC000156187102 551517334 /nfs/dbraw/zinc/51/73/34/551517334.db2.gz ARSUEQVCYUCOKN-KBPBESRZSA-N 1 0 378.519 2.780 20 0 GFADRO Cn1cc(NC(=O)NCC(C)(C)[NH+]2CCCCC2)cc(Br)c1=O ZINC000156217390 551517526 /nfs/dbraw/zinc/51/75/26/551517526.db2.gz XYECMKSOROHZEQ-UHFFFAOYSA-N 1 0 385.306 2.534 20 0 GFADRO CSC[C@@](C)(O)CNC(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000156248930 551518207 /nfs/dbraw/zinc/51/82/07/551518207.db2.gz LXIPYQSGVMYRKS-AEFFLSMTSA-N 1 0 385.961 2.890 20 0 GFADRO O[C@@H](C[NH2+]C1(c2cccc(Br)c2)CCC1)COC[C@@H]1CCCO1 ZINC000156238745 551518252 /nfs/dbraw/zinc/51/82/52/551518252.db2.gz YJIVOJMIJXJSAG-IRXDYDNUSA-N 1 0 384.314 2.974 20 0 GFADRO C[N@H+](CCS(=O)(=O)c1ccc(Br)cc1)C1CCC(CO)CC1 ZINC000156275296 551518996 /nfs/dbraw/zinc/51/89/96/551518996.db2.gz BBYYJVUNTHGIMB-UHFFFAOYSA-N 1 0 390.343 2.706 20 0 GFADRO COc1ccsc1S(=O)(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F ZINC000156525679 551523712 /nfs/dbraw/zinc/52/37/12/551523712.db2.gz XAEQRGRLJGEBGJ-UHFFFAOYSA-N 1 0 390.477 2.787 20 0 GFADRO Cc1c(I)cccc1C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000156817080 551528905 /nfs/dbraw/zinc/52/89/05/551528905.db2.gz KYZPVBCSAKXWRI-ZDUSSCGKSA-N 1 0 384.261 2.814 20 0 GFADRO C[NH+](C)C1CCN(C(=O)c2cc(F)c(F)cc2I)CC1 ZINC000157088758 551533256 /nfs/dbraw/zinc/53/32/56/551533256.db2.gz KYNBXLLWVQWNCQ-UHFFFAOYSA-N 1 0 394.203 2.736 20 0 GFADRO CC(C)C[C@@](C)(C[NH3+])NC(=O)[C@H](C)NC(=O)c1ccc(Br)s1 ZINC000157510580 551538490 /nfs/dbraw/zinc/53/84/90/551538490.db2.gz NBUUWVFLODSFCN-BONVTDFDSA-N 1 0 390.347 2.509 20 0 GFADRO CC(C)C[C@](C)(C[NH3+])NC(=O)[C@@H]1CCN(c2ccccc2Br)C1=O ZINC000157509875 551538618 /nfs/dbraw/zinc/53/86/18/551538618.db2.gz KEXKXXDZZRCRJH-SCLBCKFNSA-N 1 0 396.329 2.682 20 0 GFADRO CC(C)N(CC[NH+](C)C)C(=O)NCCC(=O)Nc1ccc(Br)cc1 ZINC000157901922 551544402 /nfs/dbraw/zinc/54/44/02/551544402.db2.gz YDUAGAYDSHOOAA-UHFFFAOYSA-N 1 0 399.333 2.759 20 0 GFADRO CN(C(=O)Nc1cc(F)c(F)cc1I)C1CC[NH2+]CC1 ZINC000415242216 563763453 /nfs/dbraw/zinc/76/34/53/563763453.db2.gz TXKQZDJQSDWJTA-UHFFFAOYSA-N 1 0 395.191 2.785 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)Nc2cc(F)c(F)cc2I)CC[NH2+]1 ZINC000415243931 563763457 /nfs/dbraw/zinc/76/34/57/563763457.db2.gz WRZQPZKGSKENPH-HTQZYQBOSA-N 1 0 395.191 2.831 20 0 GFADRO Cc1ccc(NC(=O)C(=O)NC2CCC(C[NH+](C)C)CC2)cc1Br ZINC000158019833 551546229 /nfs/dbraw/zinc/54/62/29/551546229.db2.gz XUEGSRDTZHJXGI-UHFFFAOYSA-N 1 0 396.329 2.933 20 0 GFADRO COc1c(Br)cc(Br)cc1C[NH2+][C@H](C)CC(N)=O ZINC000158185961 551547933 /nfs/dbraw/zinc/54/79/33/551547933.db2.gz YQXYLRTWQLQXJE-SSDOTTSWSA-N 1 0 380.080 2.574 20 0 GFADRO O=C(CCC[S@@](=O)c1ccc(Br)cc1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000158525003 551553402 /nfs/dbraw/zinc/55/34/02/551553402.db2.gz CDGNPPHXIVYKBG-HXOBKFHXSA-N 1 0 399.354 2.549 20 0 GFADRO CS(=O)(=O)c1cc(C(=O)N[C@H]2CCCN(Cc3ccccc3)C2)cs1 ZINC000158689622 551555073 /nfs/dbraw/zinc/55/50/73/551555073.db2.gz QJXHXGBETFLTNB-INIZCTEOSA-N 1 0 378.519 2.546 20 0 GFADRO CC(C)[C@@H](CCO)[NH2+][C@H](C)C(=O)Nc1cccc(I)c1 ZINC000161792650 551598934 /nfs/dbraw/zinc/59/89/34/551598934.db2.gz WJMPWGYPLPMIJN-BXUZGUMPSA-N 1 0 390.265 2.615 20 0 GFADRO C[N@@H+]1CC[C@H](CNC(=O)c2cc(Br)ccc2Br)C1 ZINC000160149053 551576223 /nfs/dbraw/zinc/57/62/23/551576223.db2.gz YEXOQWKABXGYJN-SECBINFHSA-N 1 0 376.092 2.893 20 0 GFADRO C[NH+](C)CCN(C(=O)c1cncc(I)c1)c1ccccc1 ZINC000161591754 551596528 /nfs/dbraw/zinc/59/65/28/551596528.db2.gz QHNHHCMDUAACEG-UHFFFAOYSA-N 1 0 395.244 2.895 20 0 GFADRO NC(=O)[C@H]([NH2+]CCc1cnn(-c2ccccc2)c1)c1cccc(Br)c1 ZINC000161871481 551599985 /nfs/dbraw/zinc/59/99/85/551599985.db2.gz HHDLTLMUMMWEKH-GOSISDBHSA-N 1 0 399.292 2.994 20 0 GFADRO O=S(=O)(Cc1ccon1)NCC[NH2+][C@@H]1CCCCc2ccc(Cl)cc21 ZINC000162382397 551607978 /nfs/dbraw/zinc/60/79/78/551607978.db2.gz YUEHPEIUKSMRDT-QGZVFWFLSA-N 1 0 383.901 2.805 20 0 GFADRO CC[C@@H](COC)NC(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000163240811 551617690 /nfs/dbraw/zinc/61/76/90/551617690.db2.gz JVHGYPNIRLEKHP-INIZCTEOSA-N 1 0 386.334 2.947 20 0 GFADRO O=C(C[NH+]1CCC(C(=O)Nc2ccc(Br)cc2)CC1)N1CCCC1 ZINC000163217459 551617903 /nfs/dbraw/zinc/61/79/03/551617903.db2.gz YRSDXYVULJBQGV-UHFFFAOYSA-N 1 0 394.313 2.722 20 0 GFADRO COCCN1CCC[C@H]1C[NH2+][C@@H](C)CC(=O)Nc1cccc(Br)c1 ZINC000163277256 551618113 /nfs/dbraw/zinc/61/81/13/551618113.db2.gz IWFVFZAZTTZKOE-YOEHRIQHSA-N 1 0 398.345 2.867 20 0 GFADRO [NH3+][C@H]1CCC[C@@H]1C(=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000163487304 551620007 /nfs/dbraw/zinc/62/00/07/551620007.db2.gz LIPCIUHZAUFCKI-AAEUAGOBSA-N 1 0 376.810 2.530 20 0 GFADRO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N(C)Cc1cc(Br)cn1C ZINC000163494103 551620243 /nfs/dbraw/zinc/62/02/43/551620243.db2.gz NYWGJCDAAUKCCH-INIZCTEOSA-N 1 0 386.334 2.539 20 0 GFADRO C[C@H](Cn1cc(Br)cn1)[NH2+]Cc1cccc(CN2CCOCC2)c1 ZINC000163721035 551622037 /nfs/dbraw/zinc/62/20/37/551622037.db2.gz IMHUUOQFZFHNHR-OAHLLOKOSA-N 1 0 393.329 2.656 20 0 GFADRO COCCCCC[NH+]1CCN(CC(=O)Nc2ccc(Br)cc2)CC1 ZINC000165250940 551628971 /nfs/dbraw/zinc/62/89/71/551628971.db2.gz UACRIIBADFEGSE-UHFFFAOYSA-N 1 0 398.345 2.822 20 0 GFADRO COCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](Cc2sccc2Br)C1 ZINC000166094655 551630815 /nfs/dbraw/zinc/63/08/15/551630815.db2.gz DICORUMPJPACRI-VXGBXAGGSA-N 1 0 375.332 2.874 20 0 GFADRO [NH3+][C@@H](Cc1ccccc1)C(=O)N[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000167450630 551633611 /nfs/dbraw/zinc/63/36/11/551633611.db2.gz KRYWWCREDIZOHQ-AEFFLSMTSA-N 1 0 388.309 2.714 20 0 GFADRO COc1ccc([C@H](C)[NH2+]C2CCN(S(=O)(=O)C(F)(F)F)CC2)c(F)c1 ZINC000168060811 551634199 /nfs/dbraw/zinc/63/41/99/551634199.db2.gz NZSVWFCSKRZMHF-JTQLQIEISA-N 1 0 384.395 2.799 20 0 GFADRO COc1cc(C[NH2+]C[C@@](C)(O)C(C)C)cc(I)c1OC ZINC000171842025 551665005 /nfs/dbraw/zinc/66/50/05/551665005.db2.gz OMTQSBOEKYWJOE-OAHLLOKOSA-N 1 0 393.265 2.805 20 0 GFADRO C[NH+](C)CCOc1cccc(CNC(=O)c2ccc(Br)cn2)c1 ZINC000171187377 551649127 /nfs/dbraw/zinc/64/91/27/551649127.db2.gz VNUXAIOOGJANIO-UHFFFAOYSA-N 1 0 378.270 2.715 20 0 GFADRO C[N@@H+]1CCC[C@@H]1CNC(=O)NCc1cc(Br)ccc1OC(F)F ZINC000171190245 551649269 /nfs/dbraw/zinc/64/92/69/551649269.db2.gz LGCUMDOPVULUNE-GFCCVEGCSA-N 1 0 392.244 2.944 20 0 GFADRO Cc1c(Br)cccc1NC(=O)C(=O)NC[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000171224712 551650201 /nfs/dbraw/zinc/65/02/01/551650201.db2.gz SNYDYDICRUMLQE-QWHCGFSZSA-N 1 0 396.329 2.933 20 0 GFADRO C[C@@H]1C[N@@H+](C2CCN(Cc3cc4c(c(Br)c3)OCO4)CC2)CCO1 ZINC000171343616 551653020 /nfs/dbraw/zinc/65/30/20/551653020.db2.gz ZEPLTVCUIXJHRM-CYBMUJFWSA-N 1 0 397.313 2.863 20 0 GFADRO COCCN(CC[NH+](C)C)C(=O)N[C@H](C)Cc1cccc(Br)c1 ZINC000171662527 551660398 /nfs/dbraw/zinc/66/03/98/551660398.db2.gz GEHFFVLTFLUTAB-CQSZACIVSA-N 1 0 386.334 2.600 20 0 GFADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@@H](C)c1ccc(Br)cc1 ZINC000171897916 551666426 /nfs/dbraw/zinc/66/64/26/551666426.db2.gz XUGUISNHMIOSBJ-BBRMVZONSA-N 1 0 384.318 2.920 20 0 GFADRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)Cc1cc2c(cc1Br)OCCO2 ZINC000172095705 551670230 /nfs/dbraw/zinc/67/02/30/551670230.db2.gz IFFAYFAXKKYKKG-CYBMUJFWSA-N 1 0 397.313 2.563 20 0 GFADRO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1c[nH]c(=O)c(Br)c1 ZINC000172926792 551690358 /nfs/dbraw/zinc/69/03/58/551690358.db2.gz FMFVMXVJSRMAEX-UHFFFAOYSA-N 1 0 390.281 2.532 20 0 GFADRO C[C@@]1(CNC(=O)C(=O)Nc2ccc(Br)cc2Cl)CCC[NH2+]C1 ZINC000415573830 563784977 /nfs/dbraw/zinc/78/49/77/563784977.db2.gz CNKDUXODPXVRQO-OAHLLOKOSA-N 1 0 388.693 2.547 20 0 GFADRO C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)Nc1c(F)cc(F)cc1Br ZINC000415546295 563783705 /nfs/dbraw/zinc/78/37/05/563783705.db2.gz AMDVYUWHYHSDCD-CPCISQLKSA-N 1 0 378.217 2.962 20 0 GFADRO COc1cc(I)ccc1NC(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000415770653 563795668 /nfs/dbraw/zinc/79/56/68/563795668.db2.gz GUTRLFKJPBZQOU-WDEREUQCSA-N 1 0 389.237 2.691 20 0 GFADRO O=C(Nc1cccc(Br)c1)C(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000173336713 552083245 /nfs/dbraw/zinc/08/32/45/552083245.db2.gz YXTGSKIXMWPSPJ-AWEZNQCLSA-N 1 0 394.313 2.722 20 0 GFADRO CC[NH+]1CCC(CCNS(=O)(=O)c2ccc(F)cc2Br)CC1 ZINC000173513303 552087354 /nfs/dbraw/zinc/08/73/54/552087354.db2.gz NRHXPLJYCBIAJJ-UHFFFAOYSA-N 1 0 393.322 2.989 20 0 GFADRO O=C(COc1cc(Cl)cc(Cl)c1)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000173599166 552088826 /nfs/dbraw/zinc/08/88/26/552088826.db2.gz VGMLGMPZSVSAEM-ZDUSSCGKSA-N 1 0 387.307 2.989 20 0 GFADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2cc(Br)ccc2C)C1 ZINC000173650093 552089986 /nfs/dbraw/zinc/08/99/86/552089986.db2.gz XPTPFJVGZJOTOA-AWEZNQCLSA-N 1 0 396.329 2.886 20 0 GFADRO CS(=O)(=O)Cc1nc(CN2CCC[C@H](C[NH+]3CCCCCC3)C2)cs1 ZINC000173644090 552089992 /nfs/dbraw/zinc/08/99/92/552089992.db2.gz DROXPWBQRVQOBK-MRXNPFEDSA-N 1 0 385.599 2.776 20 0 GFADRO C[C@H](C(=O)N1CC[C@H](C[NH+]2CCOCC2)C1)c1ccc(Br)s1 ZINC000173825858 552093183 /nfs/dbraw/zinc/09/31/83/552093183.db2.gz ALXFYBXOMCKUEP-QWHCGFSZSA-N 1 0 387.343 2.795 20 0 GFADRO Cn1ccc(N2CCC[C@@H]([NH2+][C@@H]3CCc4c3cccc4Br)C2=O)n1 ZINC000174049125 552098146 /nfs/dbraw/zinc/09/81/46/552098146.db2.gz GHLHMVIFGRFWEE-HZPDHXFCSA-N 1 0 389.297 2.955 20 0 GFADRO CN(C)CC(=O)Nc1ccc(NC(=O)c2cc(Br)ccc2O)cc1 ZINC000174103239 552099108 /nfs/dbraw/zinc/09/91/08/552099108.db2.gz XMYYKPXDLPAUFQ-UHFFFAOYSA-N 1 0 392.253 2.907 20 0 GFADRO CC[C@@H](CO)[NH+]1CCN(Cc2coc(-c3ccc(Br)cc3)n2)CC1 ZINC000174130868 552099980 /nfs/dbraw/zinc/09/99/80/552099980.db2.gz JOBHLMWSNAQUNT-KRWDZBQOSA-N 1 0 394.313 2.993 20 0 GFADRO CN(C)S(=O)(=O)c1ccc(OCC[NH+]2CCC(C(F)(F)F)CC2)cc1 ZINC000174189932 552101881 /nfs/dbraw/zinc/10/18/81/552101881.db2.gz XHSCCNVQAKLJHB-UHFFFAOYSA-N 1 0 380.432 2.590 20 0 GFADRO C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000174469865 552104992 /nfs/dbraw/zinc/10/49/92/552104992.db2.gz MAKJFFISIURZFV-RHSMWYFYSA-N 1 0 380.330 2.749 20 0 GFADRO C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000174469833 552105272 /nfs/dbraw/zinc/10/52/72/552105272.db2.gz MAKJFFISIURZFV-YOEHRIQHSA-N 1 0 380.330 2.749 20 0 GFADRO CC[C@@H]1CN(C(=O)[C@@H](C)Oc2ccc(Br)cc2)CC[N@@H+]1C[C@@H](C)O ZINC000174640706 552107178 /nfs/dbraw/zinc/10/71/78/552107178.db2.gz YSMXYCWWAHCVDP-IIAWOOMASA-N 1 0 399.329 2.520 20 0 GFADRO C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)Nc1ccc(Br)c(F)c1 ZINC000174636801 552107395 /nfs/dbraw/zinc/10/73/95/552107395.db2.gz JGDFGQOIWLANBH-LLVKDONJSA-N 1 0 386.265 2.517 20 0 GFADRO CCC[N@H+](CC)CCNC(=O)[C@@H]1CCN(c2ccccc2Br)C1=O ZINC000174673016 552108116 /nfs/dbraw/zinc/10/81/16/552108116.db2.gz QMXXQNUCOIUZHI-AWEZNQCLSA-N 1 0 396.329 2.650 20 0 GFADRO CC(C)[NH+]1CCC(C(=O)NCC(=O)Nc2ccc(Br)cc2)CC1 ZINC000174692267 552108870 /nfs/dbraw/zinc/10/88/70/552108870.db2.gz FKHFJKNCENSORY-UHFFFAOYSA-N 1 0 382.302 2.624 20 0 GFADRO C[C@H](N1CCN(C(=O)NC[C@H](c2cccs2)[NH+](C)C)CC1)C(F)(F)F ZINC000175545687 552124313 /nfs/dbraw/zinc/12/43/13/552124313.db2.gz QBKKQRPQLIHHFQ-QWHCGFSZSA-N 1 0 378.464 2.629 20 0 GFADRO CC[NH+](CC)[C@H](CNC(=O)N1CC[C@@](O)(C(F)(F)F)C1)c1ccsc1 ZINC000175940225 552132548 /nfs/dbraw/zinc/13/25/48/552132548.db2.gz XBWZUKYSCHOHRD-HIFRSBDPSA-N 1 0 379.448 2.840 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(=O)Nc2c(F)cccc2Br)C1 ZINC000176094487 552135572 /nfs/dbraw/zinc/13/55/72/552135572.db2.gz XKEVOUXLORHJKO-GHMZBOCLSA-N 1 0 386.265 2.516 20 0 GFADRO CC[C@@H](Cc1ccccc1Br)C(=O)NCCC[NH+]1CCC(O)CC1 ZINC000176626043 552142699 /nfs/dbraw/zinc/14/26/99/552142699.db2.gz OPVOTKYEEHBUKV-HNNXBMFYSA-N 1 0 397.357 2.981 20 0 GFADRO CN(CC[NH+](C)C)S(=O)(=O)c1ccc(Br)cc1C(F)(F)F ZINC000176969761 552148434 /nfs/dbraw/zinc/14/84/34/552148434.db2.gz YJRMQWTTWGSHEN-UHFFFAOYSA-N 1 0 389.237 2.650 20 0 GFADRO Cn1c(SCC(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)nnc1-c1cccs1 ZINC000177479444 552155477 /nfs/dbraw/zinc/15/54/77/552155477.db2.gz MWKMHQPBNGWPOS-QWHCGFSZSA-N 1 0 379.555 2.625 20 0 GFADRO C[C@H]([NH2+]CCc1ccsc1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000177727939 552157712 /nfs/dbraw/zinc/15/77/12/552157712.db2.gz CKVHWWJUADFGDA-HNNXBMFYSA-N 1 0 380.535 2.662 20 0 GFADRO C[C@@H](C[NH+]1CCCCC1)NC(=O)N[C@@H](CO)c1cccc(Br)c1 ZINC000177933383 552161219 /nfs/dbraw/zinc/16/12/19/552161219.db2.gz RYRLYZGETILYDA-BBRMVZONSA-N 1 0 384.318 2.656 20 0 GFADRO C[C@H](Oc1cc(Cl)cc(Cl)c1)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000178104568 552164457 /nfs/dbraw/zinc/16/44/57/552164457.db2.gz RSOPPJXXRUIONI-KBPBESRZSA-N 1 0 387.307 2.941 20 0 GFADRO O=C(c1cc(Cl)ccc1Br)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000178101402 552164461 /nfs/dbraw/zinc/16/44/61/552164461.db2.gz VLXZURRYAVROJO-GFCCVEGCSA-N 1 0 387.705 2.897 20 0 GFADRO C[C@H]([NH2+]CCSC(F)(F)F)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000178420095 552170007 /nfs/dbraw/zinc/17/00/07/552170007.db2.gz BGDVHIJLJYLRKE-LBPRGKRZSA-N 1 0 398.472 2.611 20 0 GFADRO O[C@H](C[NH2+]Cc1cnn2ccccc12)COc1ccccc1Br ZINC000178454959 552170893 /nfs/dbraw/zinc/17/08/93/552170893.db2.gz VHBIQKLNHPQVJJ-CQSZACIVSA-N 1 0 376.254 2.626 20 0 GFADRO Cc1cccc(S(=O)(=O)NCCC[NH+]2CCCCC2)c1Br ZINC000178863546 552177573 /nfs/dbraw/zinc/17/75/73/552177573.db2.gz SMENXBOXBPMIIQ-UHFFFAOYSA-N 1 0 375.332 2.912 20 0 GFADRO C[C@@H]([NH3+])C1CCN(C(=O)c2ccc(F)cc2I)CC1 ZINC000178866663 552177792 /nfs/dbraw/zinc/17/77/92/552177792.db2.gz QSKCRKGDZWVHQA-SECBINFHSA-N 1 0 376.213 2.630 20 0 GFADRO CCc1c(C(=O)N(C)[C@H]2CC[NH2+]C2)cnn1-c1ccc(Br)cc1 ZINC000179090614 552184053 /nfs/dbraw/zinc/18/40/53/552184053.db2.gz PLHXHJLSZXHUQN-AWEZNQCLSA-N 1 0 377.286 2.631 20 0 GFADRO CN(C[C@H]1COc2ccccc2O1)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000179224170 552187386 /nfs/dbraw/zinc/18/73/86/552187386.db2.gz MUPLTIVTCNSLIU-YOEHRIQHSA-N 1 0 391.265 2.747 20 0 GFADRO C[C@@H](Cc1ccc(Br)cc1)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000179257705 552188539 /nfs/dbraw/zinc/18/85/39/552188539.db2.gz AVFUWHHSBWYLDC-DOTOQJQBSA-N 1 0 395.341 2.808 20 0 GFADRO C[NH+](C)C[C@H]1CCN(S(=O)(=O)c2c(Cl)cc(F)cc2Br)C1 ZINC000179327367 552190180 /nfs/dbraw/zinc/19/01/80/552190180.db2.gz YIPAIRISGYGLLG-SECBINFHSA-N 1 0 399.713 2.814 20 0 GFADRO CC[C@H](CO)[NH+]1CCN(C(=O)CCCOc2ccccc2Br)CC1 ZINC000179397163 552192252 /nfs/dbraw/zinc/19/22/52/552192252.db2.gz PGNNKJAEJKQFJG-OAHLLOKOSA-N 1 0 399.329 2.523 20 0 GFADRO O=C(c1cnn2cc(Br)cnc12)N1CC[NH+](C2CCCCC2)CC1 ZINC000179843651 552204883 /nfs/dbraw/zinc/20/48/83/552204883.db2.gz JMZWAHGAMCVMTC-UHFFFAOYSA-N 1 0 392.301 2.582 20 0 GFADRO CCCNC(=O)C1CCN(Cc2cc(Br)c3c(c2)OCCO3)CC1 ZINC000179919241 552206982 /nfs/dbraw/zinc/20/69/82/552206982.db2.gz DEOUTQNMKCPGAV-UHFFFAOYSA-N 1 0 397.313 2.959 20 0 GFADRO NC(=O)C[C@H]1CCC[N@H+](Cc2cnn(-c3ccc(Br)cc3)c2)C1 ZINC000180064145 552211560 /nfs/dbraw/zinc/21/15/60/552211560.db2.gz MYBHFESABGUCPL-CYBMUJFWSA-N 1 0 377.286 2.722 20 0 GFADRO CCOC(=O)CN(CCCNC(C)=O)[C@@H](C)c1cccc(Br)c1 ZINC000180157835 552215694 /nfs/dbraw/zinc/21/56/94/552215694.db2.gz PRQPQOFUFUPJPZ-ZDUSSCGKSA-N 1 0 385.302 2.901 20 0 GFADRO CCC[N@@H+]1CC[C@H](CNC(=O)NCCNc2cccc(Br)c2)C1 ZINC000180305590 552221983 /nfs/dbraw/zinc/22/19/83/552221983.db2.gz RKFIZXPPMXPFOP-CQSZACIVSA-N 1 0 383.334 2.892 20 0 GFADRO CC(C)NS(=O)(=O)CC[NH2+][C@@H]1C[C@H](C)c2c1cccc2Br ZINC000180464383 552226612 /nfs/dbraw/zinc/22/66/12/552226612.db2.gz WRBWHISXVVKYGK-SMDDNHRTSA-N 1 0 375.332 2.915 20 0 GFADRO CC(C)NS(=O)(=O)CC[NH2+][C@@H]1CCCOc2ccc(Br)cc21 ZINC000180465823 552226918 /nfs/dbraw/zinc/22/69/18/552226918.db2.gz SLLOIKHEEUENIX-CQSZACIVSA-N 1 0 391.331 2.580 20 0 GFADRO COC(=O)[C@H](CC(C)C)NC(=O)C[NH2+]C1(c2ccc(Br)cc2)CC1 ZINC000180520843 552228505 /nfs/dbraw/zinc/22/85/05/552228505.db2.gz VUKTUVMLUCSYAU-HNNXBMFYSA-N 1 0 397.313 2.732 20 0 GFADRO C[N@H+](Cc1ccc(OC(F)F)c(Cl)c1)C1CCN(S(C)(=O)=O)CC1 ZINC000180631351 552231856 /nfs/dbraw/zinc/23/18/56/552231856.db2.gz KPXKMPCRWYISSW-UHFFFAOYSA-N 1 0 382.860 2.797 20 0 GFADRO C[C@@H]([NH2+][C@H]1CCN(c2cnn(C)c2)C1=O)c1ccc(F)c(Br)c1 ZINC000180963174 552241292 /nfs/dbraw/zinc/24/12/92/552241292.db2.gz MITZDMLPYHXCTL-BMIGLBTASA-N 1 0 381.249 2.778 20 0 GFADRO CN(Cc1ccccc1Br)C(=O)C[N@H+](C)CCCn1ccnc1 ZINC000181110438 552246767 /nfs/dbraw/zinc/24/67/67/552246767.db2.gz KVAZUUGPVHUYRA-UHFFFAOYSA-N 1 0 379.302 2.626 20 0 GFADRO COC(=O)C1CCN(C(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc(Br)cc2)CC1 ZINC000181108540 552247031 /nfs/dbraw/zinc/24/70/31/552247031.db2.gz WPPPOEWUQKWRCF-QWHCGFSZSA-N 1 0 397.313 2.900 20 0 GFADRO COCc1nc2n(n1)C[C@H]([NH2+][C@H](C)c1ccc(OC)c(Br)c1)CC2 ZINC000181293849 552252555 /nfs/dbraw/zinc/25/25/55/552252555.db2.gz SRYAKTGHBIFLEM-DGCLKSJQSA-N 1 0 395.301 2.861 20 0 GFADRO C[C@H]([NH2+]CC(=O)Nc1ccccc1I)c1cccnc1 ZINC000181372395 552254540 /nfs/dbraw/zinc/25/45/40/552254540.db2.gz CLOUMYDYDIEJOR-NSHDSACASA-N 1 0 381.217 2.976 20 0 GFADRO C[C@H]1C[C@@H](NCc2ccc(Br)cc2N2CCOCC2)CC[N@@H+]1C ZINC000181459002 552257756 /nfs/dbraw/zinc/25/77/56/552257756.db2.gz OSAXTBYUFPHKPT-YOEHRIQHSA-N 1 0 382.346 2.858 20 0 GFADRO CCOCC[N@H+](C)Cc1cc(I)c(OC)c(OC)c1 ZINC000181489674 552258480 /nfs/dbraw/zinc/25/84/80/552258480.db2.gz LTZYFFPEQDVXJD-UHFFFAOYSA-N 1 0 379.238 2.777 20 0 GFADRO CN(CC[NH2+][C@@H]1CSCCc2ccccc21)S(=O)(=O)c1cccs1 ZINC000181504119 552258644 /nfs/dbraw/zinc/25/86/44/552258644.db2.gz SMMGZTBQFVKXMP-MRXNPFEDSA-N 1 0 382.576 2.989 20 0 GFADRO C[C@@H]1CCC[C@@H]([NH+]2CCC(NCCNS(=O)(=O)c3cccs3)CC2)C1 ZINC000181533434 552259917 /nfs/dbraw/zinc/25/99/17/552259917.db2.gz LSRJVPZLAVIAAK-NVXWUHKLSA-N 1 0 385.599 2.659 20 0 GFADRO CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+]C[C@@H](O)CS(=O)(=O)c1cccs1 ZINC000181640115 552263330 /nfs/dbraw/zinc/26/33/30/552263330.db2.gz WNDVFQXNXUXBOD-IAGOWNOFSA-N 1 0 385.526 2.879 20 0 GFADRO C[C@@H]([NH2+]C[C@@H](O)CS(=O)(=O)c1cccs1)c1cccc(OC(F)F)c1 ZINC000181638190 552263720 /nfs/dbraw/zinc/26/37/20/552263720.db2.gz RSTXQVSTYSOCAQ-DGCLKSJQSA-N 1 0 391.461 2.835 20 0 GFADRO O=C(NCC[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)c1cccc(Br)c1 ZINC000181958744 552271728 /nfs/dbraw/zinc/27/17/28/552271728.db2.gz JTBRGDAWIJMKPY-XHSDSOJGSA-N 1 0 379.298 2.726 20 0 GFADRO NC(=O)C[C@@H]([NH2+]C[C@H](O)COc1ccc(Br)cc1)C1CCCCC1 ZINC000182011928 552272843 /nfs/dbraw/zinc/27/28/43/552272843.db2.gz OKAAYWDOPSWGCP-DOTOQJQBSA-N 1 0 399.329 2.603 20 0 GFADRO COC(=O)CC[N@@H+]1CCN(CCOc2ccc(Cl)cc2Cl)[C@H](C)C1 ZINC000182121286 552275905 /nfs/dbraw/zinc/27/59/05/552275905.db2.gz XSCIYPQXYWVVBW-CYBMUJFWSA-N 1 0 375.296 2.941 20 0 GFADRO CN(C)C(=O)CC1CC[NH+](C[C@@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000182210361 552278339 /nfs/dbraw/zinc/27/83/39/552278339.db2.gz YFFJDBRPGCEIHO-OAHLLOKOSA-N 1 0 389.323 2.923 20 0 GFADRO CC[C@H]([NH2+]CCS(=O)(=O)c1cccc(Br)c1)[C@@H]1CCCO1 ZINC000182277751 552279991 /nfs/dbraw/zinc/27/99/91/552279991.db2.gz QTLUBRWIGWVAHZ-GJZGRUSLSA-N 1 0 376.316 2.770 20 0 GFADRO CCC[NH+]1CCC(N(C)S(=O)(=O)c2ccc(OCC(F)F)cc2)CC1 ZINC000182483378 552285748 /nfs/dbraw/zinc/28/57/48/552285748.db2.gz ZOTDAOHQPOFEMJ-UHFFFAOYSA-N 1 0 376.469 2.825 20 0 GFADRO COc1ccc(CC[NH2+][C@@H]2CCCC[C@H]2S(C)(=O)=O)cc1OC(F)F ZINC000182741604 552292489 /nfs/dbraw/zinc/29/24/89/552292489.db2.gz PRAYMTCSSOLCLR-CZUORRHYSA-N 1 0 377.453 2.785 20 0 GFADRO C[C@H]([NH2+]CCC(=O)N(C)Cc1ccccc1Br)c1nccn1C ZINC000182939722 552296200 /nfs/dbraw/zinc/29/62/00/552296200.db2.gz YEZGWYDEEXCNQI-ZDUSSCGKSA-N 1 0 379.302 2.882 20 0 GFADRO C[C@H](CCNC(=O)c1cncc(I)c1)[NH+]1CCCCC1 ZINC000183113674 552301053 /nfs/dbraw/zinc/30/10/53/552301053.db2.gz SBXOXDHKAOQGGB-GFCCVEGCSA-N 1 0 387.265 2.681 20 0 GFADRO COC(=O)C1(C[NH2+][C@@H](C(N)=O)c2ccc(Br)cc2)CCCCC1 ZINC000183168348 552302283 /nfs/dbraw/zinc/30/22/83/552302283.db2.gz XLOIXVYAEPNAHO-CQSZACIVSA-N 1 0 383.286 2.689 20 0 GFADRO Cn1ccnc1[C@@H]([NH2+]C[C@@H](O)COc1ccccc1Br)C1CC1 ZINC000183342885 552306751 /nfs/dbraw/zinc/30/67/51/552306751.db2.gz FROPOBMDWBQIDH-CJNGLKHVSA-N 1 0 380.286 2.663 20 0 GFADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)c1cc(Cl)ccc1Br ZINC000184387652 552334456 /nfs/dbraw/zinc/33/44/56/552334456.db2.gz RYNXWKJPCBOYGY-LBPRGKRZSA-N 1 0 388.737 2.858 20 0 GFADRO CC[NH+]1CCN(c2cccc(NC(=O)NC[C@@H]3CSCCS3)c2)CC1 ZINC000184894311 552347153 /nfs/dbraw/zinc/34/71/53/552347153.db2.gz FLJRASVSSFWBSL-QGZVFWFLSA-N 1 0 380.583 2.799 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2ccc(Br)cc2F)[C@H](C)C1 ZINC000184915301 552347908 /nfs/dbraw/zinc/34/79/08/552347908.db2.gz MVPFFXPRARNMKX-RISCZKNCSA-N 1 0 393.322 2.939 20 0 GFADRO C[NH+](C)CC1(CNC(=O)N[C@H](CO)c2cccc(Br)c2)CCCC1 ZINC000185171704 552356224 /nfs/dbraw/zinc/35/62/24/552356224.db2.gz JQXSLMHQPCBYAD-MRXNPFEDSA-N 1 0 398.345 2.904 20 0 GFADRO Cc1c(C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cnn1-c1ccc(Br)cc1 ZINC000185168493 552356231 /nfs/dbraw/zinc/35/62/31/552356231.db2.gz KNOVPDYXAQONLM-JCURWCKSSA-N 1 0 389.297 2.753 20 0 GFADRO CCN(C)C(=O)C[NH2+]Cc1cc(Br)c(OC(F)F)c(OC)c1 ZINC000185177488 552356407 /nfs/dbraw/zinc/35/64/07/552356407.db2.gz HLTZOSFWVVAGJC-UHFFFAOYSA-N 1 0 381.217 2.627 20 0 GFADRO C[C@@H](NC(=O)N[C@@H](C)CC[NH+]1CCN(C)CC1)c1ccc(Br)cc1 ZINC000185458422 552363858 /nfs/dbraw/zinc/36/38/58/552363858.db2.gz MSIUGEHOXJAYJZ-LSDHHAIUSA-N 1 0 397.361 2.835 20 0 GFADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)N1Cc2cccc(Br)c2C1 ZINC000185732589 552369727 /nfs/dbraw/zinc/36/97/27/552369727.db2.gz JWDWHVHPTWNSOU-AWEZNQCLSA-N 1 0 382.302 2.585 20 0 GFADRO COCCOCC[NH2+]Cc1cc(Br)cc(Br)c1N ZINC000185796475 552370991 /nfs/dbraw/zinc/37/09/91/552370991.db2.gz YJDNTXMHTQTQMI-UHFFFAOYSA-N 1 0 382.096 2.546 20 0 GFADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)N(C)Cc1ccccc1Br ZINC000186113122 552379244 /nfs/dbraw/zinc/37/92/44/552379244.db2.gz YQFVAPAGNNZJBK-HNNXBMFYSA-N 1 0 397.361 2.617 20 0 GFADRO C[C@H](C[NH+]1CCCCCC1)NC(=O)c1ccc(Cl)c(NS(C)(=O)=O)c1 ZINC000186319980 552384926 /nfs/dbraw/zinc/38/49/26/552384926.db2.gz OAYLXDAUFZOVFT-CYBMUJFWSA-N 1 0 387.933 2.706 20 0 GFADRO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)NCC1=CC[NH2+]CC1 ZINC000186333573 552385276 /nfs/dbraw/zinc/38/52/76/552385276.db2.gz RWGINISCUZOCOF-UHFFFAOYSA-N 1 0 377.238 2.513 20 0 GFADRO C[NH+](C)CCn1ccc(NC(=O)Nc2ccc(I)cc2)n1 ZINC000186516699 552389689 /nfs/dbraw/zinc/38/96/89/552389689.db2.gz KOIXFXCNGVDMJG-UHFFFAOYSA-N 1 0 399.236 2.693 20 0 GFADRO C[NH+]1CCC(C(=O)N2CCO[C@@H](c3ccc(F)c(Br)c3)C2)CC1 ZINC000186519308 552390236 /nfs/dbraw/zinc/39/02/36/552390236.db2.gz MXCCQBRBQPDVBG-MRXNPFEDSA-N 1 0 385.277 2.830 20 0 GFADRO C[C@H](C[NH+]1CCCCCC1)NC(=O)C(=O)Nc1cccc(Br)c1 ZINC000186666091 552394312 /nfs/dbraw/zinc/39/43/12/552394312.db2.gz MYXFSZPCJSJULS-CYBMUJFWSA-N 1 0 382.302 2.768 20 0 GFADRO O=C(NCCOCc1ccc(Cl)cc1Cl)NCC[N@@H+]1CCCOCC1 ZINC000187358391 552413401 /nfs/dbraw/zinc/41/34/01/552413401.db2.gz CUJXXBPSYVAAHY-UHFFFAOYSA-N 1 0 390.311 2.532 20 0 GFADRO CCO[C@@H]1C[C@]([NH3+])(C(=O)NCCc2ccc(F)c(Br)c2)C1(C)C ZINC000187470711 552416567 /nfs/dbraw/zinc/41/65/67/552416567.db2.gz AXNZECGSNNXNNQ-PBHICJAKSA-N 1 0 387.293 2.779 20 0 GFADRO CCO[C@H]1C[C@]([NH3+])(C(=O)NCCc2cc(Br)ccc2F)C1(C)C ZINC000187486953 552417044 /nfs/dbraw/zinc/41/70/44/552417044.db2.gz PWSFDFADWHXJRT-YOEHRIQHSA-N 1 0 387.293 2.779 20 0 GFADRO Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)[NH2+][C@H](C)C1CCS(=O)(=O)CC1 ZINC000187531183 552418210 /nfs/dbraw/zinc/41/82/10/552418210.db2.gz ZJDTVSDPYBUYIV-GHMZBOCLSA-N 1 0 381.464 2.926 20 0 GFADRO COc1cc(Br)ccc1C[NH2+][C@H](C)C1CCS(=O)(=O)CC1 ZINC000187574137 552419380 /nfs/dbraw/zinc/41/93/80/552419380.db2.gz IZHCGAYUMGCGRT-LLVKDONJSA-N 1 0 376.316 2.761 20 0 GFADRO CCO[C@H]1C[C@@]([NH3+])(C(=O)NC[C@@H](C)Oc2ccccc2Br)C1(C)C ZINC000187902887 552427695 /nfs/dbraw/zinc/42/76/95/552427695.db2.gz LPEVMXIZKILWTQ-HNJNHCNJSA-N 1 0 399.329 2.865 20 0 GFADRO COC[C@@H]([NH2+]CCCNC(=O)c1cccc(Br)c1)C1CCOCC1 ZINC000187914249 552427756 /nfs/dbraw/zinc/42/77/56/552427756.db2.gz ZOQFCPCTJXFULD-QGZVFWFLSA-N 1 0 399.329 2.600 20 0 GFADRO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)Nc1cc(Br)c(C)cc1C ZINC000188057964 552432949 /nfs/dbraw/zinc/43/29/49/552432949.db2.gz YGCYGCQDRCCLRX-CYBMUJFWSA-N 1 0 384.318 2.851 20 0 GFADRO CC[N@H+](CCNC(=O)C(=O)Nc1cc(Br)c(C)cc1C)C1CC1 ZINC000188099293 552434984 /nfs/dbraw/zinc/43/49/84/552434984.db2.gz VXWUDRRSUOXLGY-UHFFFAOYSA-N 1 0 382.302 2.605 20 0 GFADRO COCCC[NH+]1CCC(NC(=O)Cc2ccc(F)cc2Br)CC1 ZINC000188116528 552435626 /nfs/dbraw/zinc/43/56/26/552435626.db2.gz ZECKEEXVHFYTOO-UHFFFAOYSA-N 1 0 387.293 2.748 20 0 GFADRO Cc1csc(C(=O)N2CC[C@@H]3CC[C@H](C2)[N@@H+]3C)c1I ZINC000188158903 552437084 /nfs/dbraw/zinc/43/70/84/552437084.db2.gz YYRWOFWMSZPSKT-WDEREUQCSA-N 1 0 390.290 2.970 20 0 GFADRO CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)c1coc(Br)c1 ZINC000188177659 552438130 /nfs/dbraw/zinc/43/81/30/552438130.db2.gz WICIXJHGGSDWAZ-SFHVURJKSA-N 1 0 393.281 2.751 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)C(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000188209644 552438992 /nfs/dbraw/zinc/43/89/92/552438992.db2.gz FLKOGSLQGMKYPB-UHFFFAOYSA-N 1 0 382.302 2.639 20 0 GFADRO COc1nc(C)c(Br)cc1C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000188226490 552439769 /nfs/dbraw/zinc/43/97/69/552439769.db2.gz BKVCXGQEASELOU-SWLSCSKDSA-N 1 0 382.302 2.717 20 0 GFADRO C[C@@H]1CN(C(=O)c2nn(-c3cccc(Br)c3)c3c2CCC3)CC[NH2+]1 ZINC000188456369 552445496 /nfs/dbraw/zinc/44/54/96/552445496.db2.gz YVFMCHINBCDNQH-GFCCVEGCSA-N 1 0 389.297 2.557 20 0 GFADRO O=C(c1[nH]nc(-c2ccccc2)c1Br)N1CC[NH+]2CCC1CC2 ZINC000188625569 552450108 /nfs/dbraw/zinc/45/01/08/552450108.db2.gz VKLIAQUVNKYRHH-UHFFFAOYSA-N 1 0 375.270 2.759 20 0 GFADRO C[C@@H]1CN(C(=O)c2c[nH]c3cccc(Br)c32)CC[N@@H+]1CC(C)(C)O ZINC000188659020 552451313 /nfs/dbraw/zinc/45/13/13/552451313.db2.gz BMNGUEFANMPNKC-GFCCVEGCSA-N 1 0 394.313 2.848 20 0 GFADRO CC(C)(C)C(=O)NCC[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000188727013 552453454 /nfs/dbraw/zinc/45/34/54/552453454.db2.gz BQAAQFUJPGAPLF-UHFFFAOYSA-N 1 0 398.345 2.538 20 0 GFADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCc2cc(Br)ccc2C1 ZINC000188803671 552455815 /nfs/dbraw/zinc/45/58/15/552455815.db2.gz BGUBRDDHPVLZNL-KRWDZBQOSA-N 1 0 396.329 2.628 20 0 GFADRO CCCN1CCCN(C[C@@H](O)COc2cc(Cl)ccc2Cl)CC1=O ZINC000189407943 552470834 /nfs/dbraw/zinc/47/08/34/552470834.db2.gz GFEPOHUGRWZRQV-CQSZACIVSA-N 1 0 375.296 2.677 20 0 GFADRO CC[C@H](Cc1ccccc1Br)C(=O)NCC[N@@H+]1CCCOCC1 ZINC000189461744 552472126 /nfs/dbraw/zinc/47/21/26/552472126.db2.gz AEMUIHPFDYKMJR-OAHLLOKOSA-N 1 0 383.330 2.856 20 0 GFADRO CCCOc1c(Cl)cc(C[NH2+]CC2CN(S(C)(=O)=O)C2)cc1OCC ZINC000189686308 552477544 /nfs/dbraw/zinc/47/75/44/552477544.db2.gz GESHMIDIIANWAA-UHFFFAOYSA-N 1 0 390.933 2.509 20 0 GFADRO CS(=O)(=O)c1cc(NC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)ccc1Cl ZINC000189885879 552482204 /nfs/dbraw/zinc/48/22/04/552482204.db2.gz SNOGZASTCNWWCE-CQSZACIVSA-N 1 0 385.917 2.836 20 0 GFADRO C[C@@H](CNC(=O)Nc1ccc(Cl)c(S(C)(=O)=O)c1)C[NH+]1CCCCC1 ZINC000189897218 552482372 /nfs/dbraw/zinc/48/23/72/552482372.db2.gz NDQVODPEURJUPC-ZDUSSCGKSA-N 1 0 387.933 2.987 20 0 GFADRO Cc1cc(Br)c(F)cc1NC(=O)C(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000190090941 552487216 /nfs/dbraw/zinc/48/72/16/552487216.db2.gz SSAQGWBGEBUHGI-RYUDHWBXSA-N 1 0 398.276 2.530 20 0 GFADRO CCCN(CCC[NH+](C)C)C(=O)C(=O)Nc1ccc(Br)cc1C ZINC000190159840 552489062 /nfs/dbraw/zinc/48/90/62/552489062.db2.gz QMLFYQLNAANSFZ-UHFFFAOYSA-N 1 0 384.318 2.886 20 0 GFADRO CC[NH+]1CCN([C@H](C)CNC(=O)C2(c3ccccc3Br)CC2)CC1 ZINC000190263063 552491397 /nfs/dbraw/zinc/49/13/97/552491397.db2.gz CJMWDUVDGUFFLX-OAHLLOKOSA-N 1 0 394.357 2.623 20 0 GFADRO CCS(=O)(=O)N1CC(C[NH2+][C@@H]2C[C@@H](C)c3c2cccc3Br)C1 ZINC000190693597 552506289 /nfs/dbraw/zinc/50/62/89/552506289.db2.gz MZZMUKKKIJRKOW-IAQYHMDHSA-N 1 0 387.343 2.869 20 0 GFADRO Cc1cc(NC(=O)C(=O)N(C)C[C@H]2CCC[N@H+](C)C2)cc(C)c1Br ZINC000190801757 552509753 /nfs/dbraw/zinc/50/97/53/552509753.db2.gz ZMKNSEKGDQWQAG-AWEZNQCLSA-N 1 0 396.329 2.805 20 0 GFADRO O=C(NCC1CC[NH+](CCO)CC1)Nc1c(F)cc(F)cc1Br ZINC000190815260 552510045 /nfs/dbraw/zinc/51/00/45/552510045.db2.gz YQPBNWYRAIHNGM-UHFFFAOYSA-N 1 0 392.244 2.553 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)cc1Br ZINC000190833882 552510646 /nfs/dbraw/zinc/51/06/46/552510646.db2.gz UTDDZUUEFXMQQG-XJKSGUPXSA-N 1 0 396.329 2.803 20 0 GFADRO COCCC[N@H+](C)CCNC(=O)Nc1cc(Br)c(F)cc1C ZINC000190887134 552512469 /nfs/dbraw/zinc/51/24/69/552512469.db2.gz TXMSRRNBJXXXJM-UHFFFAOYSA-N 1 0 376.270 2.986 20 0 GFADRO CO[C@@H](C)CCC(=O)Nc1ccc(CN2CC[NH+](C)CC2)c(Br)c1 ZINC000191084351 552518073 /nfs/dbraw/zinc/51/80/73/552518073.db2.gz VHHCMVDQBFXXKS-AWEZNQCLSA-N 1 0 398.345 2.950 20 0 GFADRO Cc1c(Br)cccc1CC(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000191642347 552533844 /nfs/dbraw/zinc/53/38/44/552533844.db2.gz QMNBTIAUNDDFSH-ZIAGYGMSSA-N 1 0 383.330 2.916 20 0 GFADRO C[C@@H]1C[N@H+](CCCOc2cccc(I)c2)C[C@H]1CO ZINC000191726786 552536134 /nfs/dbraw/zinc/53/61/34/552536134.db2.gz FEONMJBBAIPDAC-OLZOCXBDSA-N 1 0 375.250 2.620 20 0 GFADRO Cn1nc(Br)cc1C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000191952592 552543665 /nfs/dbraw/zinc/54/36/65/552543665.db2.gz OECVFFZUDPEJJC-UHFFFAOYSA-N 1 0 395.276 2.716 20 0 GFADRO O=C1[C@@H](N2CC[NH+](CC3CC3)CC2)CCN1c1cccc(Br)c1 ZINC000192065016 552548433 /nfs/dbraw/zinc/54/84/33/552548433.db2.gz YMWOXJGMECBSJL-KRWDZBQOSA-N 1 0 378.314 2.582 20 0 GFADRO O=C1[C@@H](N2CC[C@H](C[NH+]3CCCC3)C2)CCN1c1cccc(Br)c1 ZINC000192073522 552548850 /nfs/dbraw/zinc/54/88/50/552548850.db2.gz HKFKYNMBMLPPSV-QAPCUYQASA-N 1 0 392.341 2.972 20 0 GFADRO COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000192085683 552550164 /nfs/dbraw/zinc/55/01/64/552550164.db2.gz WCJZJGDWGSIVRY-GHMZBOCLSA-N 1 0 388.295 2.930 20 0 GFADRO C[NH+](C)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)c(Br)c2)C1 ZINC000192208117 552556074 /nfs/dbraw/zinc/55/60/74/552556074.db2.gz DJRBSFSZUBKJPJ-SNVBAGLBSA-N 1 0 381.723 2.817 20 0 GFADRO Cc1cc(NC(=O)N2CC[N@@H+](C[C@@H](C)O)[C@H](C)C2)cc(C)c1Br ZINC000192419007 552562761 /nfs/dbraw/zinc/56/27/61/552562761.db2.gz ZTDBDRGIOFPHRR-ZIAGYGMSSA-N 1 0 384.318 2.985 20 0 GFADRO COC(=O)c1cccc(NC(=O)N2CC[C@@H](C[NH+](C)C)C2)c1Br ZINC000192424964 552563196 /nfs/dbraw/zinc/56/31/96/552563196.db2.gz AZKGPHGRWUQWMV-NSHDSACASA-N 1 0 384.274 2.651 20 0 GFADRO CCOc1ccc(S(=O)(=O)NCC[N@H+](CC)C(C)C)cc1Br ZINC000444162389 563823474 /nfs/dbraw/zinc/82/34/74/563823474.db2.gz AIBFWTFDJWHWJQ-UHFFFAOYSA-N 1 0 393.347 2.856 20 0 GFADRO O=C(NC1CC[NH+](Cc2ccccn2)CC1)c1ncccc1Br ZINC000192761801 552973031 /nfs/dbraw/zinc/97/30/31/552973031.db2.gz VPGNPYTUHVEEQK-UHFFFAOYSA-N 1 0 375.270 2.634 20 0 GFADRO COc1cc(Cl)c(S(=O)(=O)NC[C@@H](C)C[NH+]2CCCCC2)cc1OC ZINC000192813401 552974522 /nfs/dbraw/zinc/97/45/22/552974522.db2.gz JPOGSKZTELEHHJ-CYBMUJFWSA-N 1 0 390.933 2.758 20 0 GFADRO O=C(NCCCN1CCOCC1)N(Cc1cccc(Br)c1)C1CC1 ZINC000192921801 552978032 /nfs/dbraw/zinc/97/80/32/552978032.db2.gz MIQZHIXDQWSIIP-UHFFFAOYSA-N 1 0 396.329 2.845 20 0 GFADRO Cc1nc(Cl)ccc1NC(=O)C(=O)N(CC[NH+](C)C)Cc1cccs1 ZINC000193131516 552984308 /nfs/dbraw/zinc/98/43/08/552984308.db2.gz PSUODWBYOJLIGX-UHFFFAOYSA-N 1 0 380.901 2.634 20 0 GFADRO C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)N1CCC([NH+](C)C)CC1 ZINC000193232808 552987491 /nfs/dbraw/zinc/98/74/91/552987491.db2.gz DPWLXQXHUOCAJO-CQSZACIVSA-N 1 0 382.346 2.822 20 0 GFADRO CCC(CC)[C@@H](CNC(=O)C(=O)Nc1cc(C)c(Br)cn1)[NH+](C)C ZINC000193281016 552989188 /nfs/dbraw/zinc/98/91/88/552989188.db2.gz OKIYWXYPJKJUBZ-CQSZACIVSA-N 1 0 399.333 2.574 20 0 GFADRO C[C@H]1CC[NH2+]C[C@@H]1NS(=O)(=O)c1c(Cl)cc(F)cc1Br ZINC000193413452 552992705 /nfs/dbraw/zinc/99/27/05/552992705.db2.gz NZKKFAVREYMDHO-CPCISQLKSA-N 1 0 385.686 2.518 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+][C@@H]1C(=O)NCC[C@@H]1C ZINC000193675042 552999725 /nfs/dbraw/zinc/99/97/25/552999725.db2.gz JAMVVJRWPUPTQY-ZBEGNZNMSA-N 1 0 377.286 2.557 20 0 GFADRO CC1(C)NC(=O)N(CC[NH2+]C2(c3ccc(Br)cc3)CCC2)C1=O ZINC000194152253 553013526 /nfs/dbraw/zinc/01/35/26/553013526.db2.gz VZJJCRNNINFMLT-UHFFFAOYSA-N 1 0 380.286 2.748 20 0 GFADRO C=Cn1cc(C[NH2+]CCc2ccc(S(=O)(=O)N3CCCCC3)s2)cn1 ZINC000194342726 553018211 /nfs/dbraw/zinc/01/82/11/553018211.db2.gz PPWLBPWWERTPCX-UHFFFAOYSA-N 1 0 380.539 2.552 20 0 GFADRO CC[N@@H+]1CCC[C@H](NC(=O)Cc2csc(NC(=O)c3cccs3)n2)C1 ZINC000194634941 553025915 /nfs/dbraw/zinc/02/59/15/553025915.db2.gz PKLJMZRSDSEBOA-LBPRGKRZSA-N 1 0 378.523 2.600 20 0 GFADRO CC[N@@H+]1CCC[C@@H](NC(=O)c2cnn(-c3ccc(Br)cc3)c2)C1 ZINC000194663187 553026407 /nfs/dbraw/zinc/02/64/07/553026407.db2.gz HNPBGTRGQOKKNU-OAHLLOKOSA-N 1 0 377.286 2.849 20 0 GFADRO CC(=O)CSCC(=O)NC1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000194672779 553027024 /nfs/dbraw/zinc/02/70/24/553027024.db2.gz LAHSVDLQWOGMHN-UHFFFAOYSA-N 1 0 384.929 2.622 20 0 GFADRO CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)c1csc(CC[NH3+])n1 ZINC000194765294 553028927 /nfs/dbraw/zinc/02/89/27/553028927.db2.gz CWUITSGKGJLWAE-UHFFFAOYSA-N 1 0 387.292 2.662 20 0 GFADRO [NH3+]C[C@@H](NS(=O)(=O)c1cc(F)c(Br)cc1F)C1CCCC1 ZINC000194776290 553029554 /nfs/dbraw/zinc/02/95/54/553029554.db2.gz ZPBVYVFWTGIOCD-GFCCVEGCSA-N 1 0 383.258 2.523 20 0 GFADRO C[NH+](C)CCN(Cc1cccs1)S(=O)(=O)c1cccc2nsnc21 ZINC000194793330 553029737 /nfs/dbraw/zinc/02/97/37/553029737.db2.gz OUPIBXKIZPLRLM-UHFFFAOYSA-N 1 0 382.536 2.505 20 0 GFADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)NCc2ccccc2Br)C1 ZINC000195071650 553037586 /nfs/dbraw/zinc/03/75/86/553037586.db2.gz DDCSIGYFDYZCGJ-OAHLLOKOSA-N 1 0 384.318 2.605 20 0 GFADRO C[C@H](CS(C)(=O)=O)[NH2+]Cc1ccc(OC(F)(F)F)c(Br)c1 ZINC000229687918 553064277 /nfs/dbraw/zinc/06/42/77/553064277.db2.gz SAZHNPVYZSVTMI-MRVPVSSYSA-N 1 0 390.221 2.870 20 0 GFADRO Cc1sc(Br)cc1S(=O)(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000220971887 553055241 /nfs/dbraw/zinc/05/52/41/553055241.db2.gz YDGDZJSSRFRXNJ-NWDGAFQWSA-N 1 0 393.372 2.924 20 0 GFADRO O=C(c1cc(Cl)ccc1I)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000226281928 553061582 /nfs/dbraw/zinc/06/15/82/553061582.db2.gz ATZAKYMUDUFQFP-MNOVXSKESA-N 1 0 390.652 2.911 20 0 GFADRO C[C@@H]1OCC[C@]1(O)C[NH2+]Cc1ccc(Br)c(Br)c1 ZINC000227974693 553063412 /nfs/dbraw/zinc/06/34/12/553063412.db2.gz IXTABPLTYBCRKG-ZANVPECISA-N 1 0 379.092 2.841 20 0 GFADRO COCC[N@@H+]1CCCN(C(=O)c2ccc(Cl)c(Br)c2)CC1 ZINC000228980576 553063874 /nfs/dbraw/zinc/06/38/74/553063874.db2.gz BSPGVTDDJMVBPB-UHFFFAOYSA-N 1 0 375.694 2.897 20 0 GFADRO C[NH+](C)C1(CNS(=O)(=O)c2ccc(Cl)c(Br)c2)CCC1 ZINC000234215018 553067267 /nfs/dbraw/zinc/06/72/67/553067267.db2.gz NKJLOJUNLQHHQF-UHFFFAOYSA-N 1 0 381.723 2.865 20 0 GFADRO O=C(N[C@@H]1CCN(c2ccccc2Br)C1)[C@@H]1CC12CC[NH2+]CC2 ZINC000236580240 553069269 /nfs/dbraw/zinc/06/92/69/553069269.db2.gz JCLHDHIEPOKWMP-KGLIPLIRSA-N 1 0 378.314 2.534 20 0 GFADRO O=C(CCc1nc(-c2cc(Br)cs2)no1)NC[C@H]1CCC[NH2+]C1 ZINC000236595477 553069582 /nfs/dbraw/zinc/06/95/82/553069582.db2.gz MVTLNLCNDQJALH-JTQLQIEISA-N 1 0 399.314 2.609 20 0 GFADRO CC(=O)N1CCC([NH2+]C[C@H]2CCN(c3cccc(Br)c3)C2)CC1 ZINC000236609125 553069721 /nfs/dbraw/zinc/06/97/21/553069721.db2.gz CPTYMUJFRGKXJZ-OAHLLOKOSA-N 1 0 380.330 2.876 20 0 GFADRO Brc1ccc(-c2c[nH]c(C[NH2+]CCc3nnc4n3CCC4)n2)cc1 ZINC000236622265 553069909 /nfs/dbraw/zinc/06/99/09/553069909.db2.gz UIPSOCVFRWJJJY-UHFFFAOYSA-N 1 0 387.285 2.709 20 0 GFADRO O=C(NCC1(c2ccc(Br)cc2)CCOCC1)[C@@H]1CCCC[NH2+]1 ZINC000236678113 553070553 /nfs/dbraw/zinc/07/05/53/553070553.db2.gz MZHMGRSJMVDQDH-INIZCTEOSA-N 1 0 381.314 2.756 20 0 GFADRO O=C(CCNC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1)Nc1ccc(Br)cc1 ZINC000236719100 553070915 /nfs/dbraw/zinc/07/09/15/553070915.db2.gz VQBVOEIAILATKG-RCBQFDQVSA-N 1 0 394.313 2.815 20 0 GFADRO O=C(NCC[C@H]1CCC[NH2+]C1)c1cc(-c2ccc(Br)cc2)n[nH]1 ZINC000236750766 553071130 /nfs/dbraw/zinc/07/11/30/553071130.db2.gz QNYYGOZQSCWTQN-GFCCVEGCSA-N 1 0 377.286 2.959 20 0 GFADRO CCC([NH3+])(CC)CNC(=O)[C@H](CCSC)NC(=O)c1ccccc1Cl ZINC000236794241 553071624 /nfs/dbraw/zinc/07/16/24/553071624.db2.gz URJMFABUPRDMED-HNNXBMFYSA-N 1 0 385.961 2.825 20 0 GFADRO CCCN(C1CC[NH2+]CC1)S(=O)(=O)c1cc(Br)ccc1F ZINC000236870899 553072214 /nfs/dbraw/zinc/07/22/14/553072214.db2.gz LWJMWYWNESQSLJ-UHFFFAOYSA-N 1 0 379.295 2.741 20 0 GFADRO CC[C@H](C)[C@H]([NH3+])C(=O)NCC1(c2cccc(Br)c2)CCOCC1 ZINC000237024578 553073454 /nfs/dbraw/zinc/07/34/54/553073454.db2.gz DAMHLVLKUZAPBT-BBRMVZONSA-N 1 0 383.330 2.987 20 0 GFADRO C[NH2+]C1CCN(C(=O)c2ccc(Cl)c(I)c2)CC1 ZINC000237093450 553074140 /nfs/dbraw/zinc/07/41/40/553074140.db2.gz RSXIYKJUTGDFOF-UHFFFAOYSA-N 1 0 378.641 2.769 20 0 GFADRO CN(C(=O)CCC[S@](=O)c1ccc(Br)cc1)C1CC[NH2+]CC1 ZINC000237067271 553074194 /nfs/dbraw/zinc/07/41/94/553074194.db2.gz KSAUYLSDLXFSLD-QFIPXVFZSA-N 1 0 387.343 2.547 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)CCC1CC[NH2+]CC1 ZINC000237092448 553074282 /nfs/dbraw/zinc/07/42/82/553074282.db2.gz ZFPMUVCOTXOPTL-UHFFFAOYSA-N 1 0 396.329 2.934 20 0 GFADRO C[NH2+]C1CCN(C(=O)CCc2nc(-c3cc(Br)cs3)no2)CC1 ZINC000237111080 553075001 /nfs/dbraw/zinc/07/50/01/553075001.db2.gz SZOKREPRYATLRC-UHFFFAOYSA-N 1 0 399.314 2.704 20 0 GFADRO COC(=O)C[C@H](NC(=O)[C@H]1CC12CC[NH2+]CC2)c1cccc(Br)c1 ZINC000237221479 553076095 /nfs/dbraw/zinc/07/60/95/553076095.db2.gz OTWCXPQDFXSGNX-CABCVRRESA-N 1 0 395.297 2.559 20 0 GFADRO COCC[NH2+]CC(=O)Nc1ncc(Cc2cccc(Br)c2)s1 ZINC000237260987 553076582 /nfs/dbraw/zinc/07/65/82/553076582.db2.gz NQFHGCVSYAFUIK-UHFFFAOYSA-N 1 0 384.299 2.671 20 0 GFADRO COCC[NH2+]CCNC(=O)c1ccc(COc2ccc(Br)cc2)o1 ZINC000237334027 553077230 /nfs/dbraw/zinc/07/72/30/553077230.db2.gz SMSRDBNYOGMQFR-UHFFFAOYSA-N 1 0 397.269 2.587 20 0 GFADRO C[NH2+]CCN(C)C(=O)c1cnn(-c2ncc(Cl)cc2Cl)c1C(F)(F)F ZINC000237366053 553077283 /nfs/dbraw/zinc/07/72/83/553077283.db2.gz IJRLVQSFYXIVFT-UHFFFAOYSA-N 1 0 396.200 2.884 20 0 GFADRO C[C@H](C(=O)N1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1)c1ccc(Cl)s1 ZINC000237415235 553077594 /nfs/dbraw/zinc/07/75/94/553077594.db2.gz HAGKHUCVQPGYSS-MJBXVCDLSA-N 1 0 383.945 2.612 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCCN(S(=O)(=O)c2c(Cl)cc(F)cc2Br)C1 ZINC000237427248 553077699 /nfs/dbraw/zinc/07/76/99/553077699.db2.gz UKSMLYZJCBEFSK-IUCAKERBSA-N 1 0 399.713 2.990 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)c1ccc(S(=O)(=O)c2ccccc2)s1 ZINC000237447218 553077727 /nfs/dbraw/zinc/07/77/27/553077727.db2.gz DCHNDVRIXQTHOK-ZFWWWQNUSA-N 1 0 378.519 2.923 20 0 GFADRO C[C@@H]1CCCN(C(=O)c2ccc(I)c(F)c2)[C@@H]1C[NH3+] ZINC000237525842 553078944 /nfs/dbraw/zinc/07/89/44/553078944.db2.gz YDVGEGIOBPKWTO-NOZJJQNGSA-N 1 0 376.213 2.630 20 0 GFADRO C[C@@]1(C(=O)Nc2ccc(CCn3cc(Br)cn3)cc2)CC[NH2+]C1 ZINC000237620229 553079781 /nfs/dbraw/zinc/07/97/81/553079781.db2.gz FDTKKFLWJAXVIK-QGZVFWFLSA-N 1 0 377.286 2.826 20 0 GFADRO [NH3+]C1(CNC(=O)[C@H]2CC(=O)N(c3ccccc3Br)C2)CCCCC1 ZINC000237757401 553081953 /nfs/dbraw/zinc/08/19/53/553081953.db2.gz RDXFFOMFZYDGOE-ZDUSSCGKSA-N 1 0 394.313 2.580 20 0 GFADRO [NH3+][C@H](CC(=O)NC[C@H](O)COc1cccc(Cl)c1Cl)c1ccccc1 ZINC000237858916 553083241 /nfs/dbraw/zinc/08/32/41/553083241.db2.gz HPVGHPIRGKOKDI-DZGCQCFKSA-N 1 0 383.275 2.939 20 0 GFADRO [NH3+][C@@H]1CCC[C@H](C(=O)N2CCN(C(=O)c3cccc(Cl)c3Cl)CC2)C1 ZINC000237891793 553083583 /nfs/dbraw/zinc/08/35/83/553083583.db2.gz LBBNZUURMWMEJL-QWHCGFSZSA-N 1 0 384.307 2.795 20 0 GFADRO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)c1cc(=O)[nH]c2ccc(Br)cc21 ZINC000237986321 553084460 /nfs/dbraw/zinc/08/44/60/553084460.db2.gz OQGYKXQKAXLPAD-YGRLFVJLSA-N 1 0 378.270 2.950 20 0 GFADRO [NH3+]C1(CC(=O)NCC2(c3cccc(Br)c3)CCOCC2)CCC1 ZINC000237994451 553084519 /nfs/dbraw/zinc/08/45/19/553084519.db2.gz IRAGHXGEDAZJGF-UHFFFAOYSA-N 1 0 381.314 2.885 20 0 GFADRO O=C(CSc1cccs1)Nc1ccc(C(=O)N[C@H]2CCC[NH2+]C2)cc1 ZINC000238033943 553085203 /nfs/dbraw/zinc/08/52/03/553085203.db2.gz AUAAGQJVSZQYQW-HNNXBMFYSA-N 1 0 375.519 2.961 20 0 GFADRO CC[NH+](CC)C[C@H]1CCN([C@@H](C(N)=O)c2ccc(Br)cc2F)C1 ZINC000245459604 553090609 /nfs/dbraw/zinc/09/06/09/553090609.db2.gz VKFKUQICDBKXRB-MLGOLLRUSA-N 1 0 386.309 2.778 20 0 GFADRO COC(=O)c1cc(Cl)ccc1S(=O)(=O)NC[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000245569521 553092736 /nfs/dbraw/zinc/09/27/36/553092736.db2.gz YPKBNBIHUSPTNA-CHWSQXEVSA-N 1 0 388.917 2.525 20 0 GFADRO C[C@@H]1CC[N@H+](C[C@@H](O)COc2ccc(Br)cc2)C[C@H]1n1ccnc1 ZINC000245716595 553095352 /nfs/dbraw/zinc/09/53/52/553095352.db2.gz UFBRQZQEVNLOHS-QGPMSJSTSA-N 1 0 394.313 2.968 20 0 GFADRO O[C@@H](COc1ccc(Cl)cc1Br)CN1CCOC[C@H]1C1CC1 ZINC000245748149 553096488 /nfs/dbraw/zinc/09/64/88/553096488.db2.gz AOPUGMDJDWABFI-HIFRSBDPSA-N 1 0 390.705 2.953 20 0 GFADRO O=C(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)NC[C@H]1CSCCS1 ZINC000245917312 553099010 /nfs/dbraw/zinc/09/90/10/553099010.db2.gz YQUXODKNEMMCCD-ROUUACIJSA-N 1 0 379.595 2.699 20 0 GFADRO C[C@@H](NC(=O)CN(C)C[C@H]1CCC[N@H+](C)C1)c1ccc(Br)cc1 ZINC000246208630 553104418 /nfs/dbraw/zinc/10/44/18/553104418.db2.gz XCTUXMJTASSTEU-CABCVRRESA-N 1 0 382.346 2.900 20 0 GFADRO C[C@@H]1CCc2c(F)cccc2[C@H]1[NH2+]C[C@@H](O)CS(=O)(=O)c1cccs1 ZINC000246337893 553106445 /nfs/dbraw/zinc/10/64/45/553106445.db2.gz GPQRXXZPYIIGAO-VFVRVIDISA-N 1 0 383.510 2.935 20 0 GFADRO C[N@H+](C[C@H](O)COc1ccc(Cl)cc1Br)C[C@H]1CCC[C@H]1O ZINC000246464995 553107519 /nfs/dbraw/zinc/10/75/19/553107519.db2.gz JHQCZORMEIWIND-OSAQELSMSA-N 1 0 392.721 2.935 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)N1C[C@H](C)[NH2+][C@@H](C)C1 ZINC000246575274 553109851 /nfs/dbraw/zinc/10/98/51/553109851.db2.gz CBCIMPDTUGPQHY-SOUVJXGZSA-N 1 0 384.567 2.560 20 0 GFADRO COc1ccc([C@H](C)[NH2+]C[C@@H](O)COC[C@H]2CCCO2)cc1Br ZINC000246677089 553111317 /nfs/dbraw/zinc/11/13/17/553111317.db2.gz QGFXWVRRMVYXEX-NWANDNLSSA-N 1 0 388.302 2.665 20 0 GFADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H](C)NC(=O)c2cccc(Cl)c2Cl)C1 ZINC000246819047 553113593 /nfs/dbraw/zinc/11/35/93/553113593.db2.gz CBWHWHCLVWEFRX-STQMWFEESA-N 1 0 386.323 2.912 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)Cc2ccc(Br)cc2)[C@@H](C)C1 ZINC000246867719 553114558 /nfs/dbraw/zinc/11/45/58/553114558.db2.gz DGRHYULQUMQHPN-XJKSGUPXSA-N 1 0 389.359 2.941 20 0 GFADRO C[N@@H+]1CCC[C@H]2CN(S(=O)(=O)c3cc(C(F)(F)F)ccc3F)CC[C@H]21 ZINC000246974644 553116487 /nfs/dbraw/zinc/11/64/87/553116487.db2.gz JHWVCPQSZQEVNZ-SMDDNHRTSA-N 1 0 380.407 2.949 20 0 GFADRO C[N@@H+]1CCC[C@H]2CN(C(=O)COc3ccc(Br)cc3F)CC[C@H]21 ZINC000247126354 553118892 /nfs/dbraw/zinc/11/88/92/553118892.db2.gz APUWLIVYXQSBJU-SWLSCSKDSA-N 1 0 385.277 2.910 20 0 GFADRO C[N@@H+]1CCC[C@H]2CN(C(=O)NCc3ccc(O)c(Br)c3)CC[C@H]21 ZINC000247296534 553120687 /nfs/dbraw/zinc/12/06/87/553120687.db2.gz UKTXMSMVNLDHOP-DZGCQCFKSA-N 1 0 382.302 2.780 20 0 GFADRO CCOCCC[N@@H+]1CC[C@@H](NS(=O)(=O)c2ccc(SC)cc2)[C@@H](C)C1 ZINC000247288379 553120805 /nfs/dbraw/zinc/12/08/05/553120805.db2.gz SYTWPWLMROPDQO-MAUKXSAKSA-N 1 0 386.583 2.824 20 0 GFADRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)N[C@H](CO)c2cccc(Br)c2)C1 ZINC000247292764 553120809 /nfs/dbraw/zinc/12/08/09/553120809.db2.gz UFWKHZUMPFYDAL-RHSMWYFYSA-N 1 0 398.345 2.760 20 0 GFADRO C[N@@H+]1CCC[C@H]2CN(C(=O)NCCc3nc(C(F)(F)F)cs3)CC[C@H]21 ZINC000247356314 553121606 /nfs/dbraw/zinc/12/16/06/553121606.db2.gz YKQNWQZWYKAQFZ-NWDGAFQWSA-N 1 0 376.448 2.830 20 0 GFADRO CC[C@H](C)[C@H](C)[NH2+][C@H](C)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000248568568 553131255 /nfs/dbraw/zinc/13/12/55/553131255.db2.gz LLPUVHNOIROADB-RWMBFGLXSA-N 1 0 389.949 2.942 20 0 GFADRO CC(=O)N1CC[C@@H](C[N@@H+](C)[C@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)C1 ZINC000249073931 553139041 /nfs/dbraw/zinc/13/90/41/553139041.db2.gz LLHRHDXQVDOYEC-GUYCJALGSA-N 1 0 384.307 2.899 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ccccc2Br)[C@@H](C)C1 ZINC000249234015 553141024 /nfs/dbraw/zinc/14/10/24/553141024.db2.gz VVGAQTXIEWBEGJ-WFASDCNBSA-N 1 0 382.302 2.576 20 0 GFADRO Cc1ccc(NC(=O)C(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1Br ZINC000249219605 553141086 /nfs/dbraw/zinc/14/10/86/553141086.db2.gz UGTRDWWOQXSTGE-JSGCOSHPSA-N 1 0 382.302 2.637 20 0 GFADRO Cc1cc(F)c(Br)cc1S(=O)(=O)N(C)[C@H]1CC[N@@H+](C)C[C@H]1C ZINC000249615887 553145057 /nfs/dbraw/zinc/14/50/57/553145057.db2.gz PHPWQOBYKVUMSC-RISCZKNCSA-N 1 0 393.322 2.857 20 0 GFADRO [NH3+][C@@H]1CC[C@H]2CN(S(=O)(=O)c3cc(Cl)c(Br)cc3F)C[C@H]12 ZINC000249631107 553145182 /nfs/dbraw/zinc/14/51/82/553145182.db2.gz VGIWHENNEADLIZ-YVZVNANGSA-N 1 0 397.697 2.599 20 0 GFADRO C[C@H](CNS(=O)(=O)c1sccc1Br)[N@@H+]1CCC[C@@H](C)C1 ZINC000249711973 553145773 /nfs/dbraw/zinc/14/57/73/553145773.db2.gz XMVCNRYLEJJQEV-GHMZBOCLSA-N 1 0 381.361 2.909 20 0 GFADRO CCN(CC)C(=O)[C@H]1CCC[N@@H+]1C[C@@H](O)COc1ccc(Br)cc1 ZINC000253359681 553151015 /nfs/dbraw/zinc/15/10/15/553151015.db2.gz YXMBOXSZTGBOBG-NVXWUHKLSA-N 1 0 399.329 2.522 20 0 GFADRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)c3cc(=O)[nH]c4ccc(Br)cc43)C[C@H]12 ZINC000253561486 553151428 /nfs/dbraw/zinc/15/14/28/553151428.db2.gz OTYCYFYDTCSCEA-QCZZGDTMSA-N 1 0 376.254 2.512 20 0 GFADRO C[C@@H](CNS(=O)(=O)N(C)Cc1c(F)cccc1Cl)[N@@H+]1CCC[C@H](C)C1 ZINC000255955782 553152648 /nfs/dbraw/zinc/15/26/48/553152648.db2.gz OWRXORFOLKFYON-KBPBESRZSA-N 1 0 391.940 2.866 20 0 GFADRO O=C(c1ccc(I)c(Cl)c1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000261582119 553153655 /nfs/dbraw/zinc/15/36/55/553153655.db2.gz GNEIRJYXEKVBKS-GXFFZTMASA-N 1 0 390.652 2.769 20 0 GFADRO O=C(c1ccc(Br)cc1Br)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261578680 553153670 /nfs/dbraw/zinc/15/36/70/553153670.db2.gz DHMWHGCHJHBGOY-UWVGGRQHSA-N 1 0 388.103 2.893 20 0 GFADRO O=C(c1cc(Cl)ccc1I)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261627445 553154371 /nfs/dbraw/zinc/15/43/71/553154371.db2.gz VLGLSGVPUWISSL-UWVGGRQHSA-N 1 0 390.652 2.626 20 0 GFADRO CO[C@H]1CCN(S(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)[C@H](C[NH3+])C1 ZINC000261641350 553155274 /nfs/dbraw/zinc/15/52/74/553155274.db2.gz ACPQUZOGCCTHRL-UWVGGRQHSA-N 1 0 387.716 2.774 20 0 GFADRO COCC1(CNC(=O)CCOc2ccc(C)cc2Br)CC[NH2+]CC1 ZINC000261645579 553155320 /nfs/dbraw/zinc/15/53/20/553155320.db2.gz CMYOCFRJMVJZHE-UHFFFAOYSA-N 1 0 399.329 2.659 20 0 GFADRO COCC1(CNC(=O)c2cc(Br)cc(OC(C)C)c2)CC[NH2+]CC1 ZINC000261704511 553156422 /nfs/dbraw/zinc/15/64/22/553156422.db2.gz JZFABULCSSPDNL-UHFFFAOYSA-N 1 0 399.329 2.982 20 0 GFADRO C[NH2+][C@@H](C)Cc1noc(CCc2nc(-c3cc(Br)cs3)no2)n1 ZINC000261708382 553156462 /nfs/dbraw/zinc/15/64/62/553156462.db2.gz IQXGOLMUEDGMIJ-QMMMGPOBSA-N 1 0 398.286 2.879 20 0 GFADRO C[C@@H]1CCN(C(=O)c2cnn(-c3cccc(Br)c3)c2)[C@H](C[NH3+])C1 ZINC000261721752 553157407 /nfs/dbraw/zinc/15/74/07/553157407.db2.gz GYUNALSISKEYCY-WBMJQRKESA-N 1 0 377.286 2.834 20 0 GFADRO C[NH2+][C@H](C)Cc1noc([C@@H]2CC(=O)N(c3cccc(Br)c3)C2)n1 ZINC000261737098 553157479 /nfs/dbraw/zinc/15/74/79/553157479.db2.gz KTSZKATWXDORHZ-GHMZBOCLSA-N 1 0 379.258 2.503 20 0 GFADRO C[C@@H]1CCN(C(=O)c2cnn(-c3ccc(Br)cc3)c2)[C@H](C[NH3+])C1 ZINC000261715936 553157527 /nfs/dbraw/zinc/15/75/27/553157527.db2.gz GPUKPMQYPRSERC-WBMJQRKESA-N 1 0 377.286 2.834 20 0 GFADRO O=C(NC[C@@H]1CCCN(Cc2ccc(C(F)(F)F)s2)C1)[C@H]1CCC[NH2+]1 ZINC000261755488 553158181 /nfs/dbraw/zinc/15/81/81/553158181.db2.gz CMCDNTRFSAIDMQ-GXTWGEPZSA-N 1 0 375.460 2.847 20 0 GFADRO O=C(c1ccccc1I)N1CCC2(CC[NH2+]CC2)CC1 ZINC000261760868 553158485 /nfs/dbraw/zinc/15/84/85/553158485.db2.gz NSIRITNQQMOKCJ-UHFFFAOYSA-N 1 0 384.261 2.897 20 0 GFADRO [NH3+][C@@H]1CN(C(=O)COc2ccc(Br)cc2)C[C@H]1c1ccccc1 ZINC000261794807 553159193 /nfs/dbraw/zinc/15/91/93/553159193.db2.gz QJVJNMZLKQLJJE-DLBZAZTESA-N 1 0 375.266 2.781 20 0 GFADRO COCC1(CNC(=O)c2cc3cc(Br)ccc3o2)CC[NH2+]CC1 ZINC000261801468 553159944 /nfs/dbraw/zinc/15/99/44/553159944.db2.gz VTSOYTKWAMGILS-UHFFFAOYSA-N 1 0 381.270 2.941 20 0 GFADRO CCCC(=O)N[C@@H]1CCCN(C(=O)[C@](C)([NH3+])c2ccc(Br)cc2)C1 ZINC000261828222 553160376 /nfs/dbraw/zinc/16/03/76/553160376.db2.gz TXAIDLLRHVLNCY-CRAIPNDOSA-N 1 0 396.329 2.530 20 0 GFADRO O=C(CC[C@H]1CC[NH2+]C1)N1CCN(C(=O)c2c(Cl)cccc2Cl)CC1 ZINC000261821748 553160617 /nfs/dbraw/zinc/16/06/17/553160617.db2.gz IFGJVRPVWLRPHI-ZDUSSCGKSA-N 1 0 384.307 2.668 20 0 GFADRO O=C(N[C@H]1CCc2cc(Br)ccc21)C1(n2cccn2)CC[NH2+]CC1 ZINC000261848536 553161363 /nfs/dbraw/zinc/16/13/63/553161363.db2.gz AZWFYNDELOHZAX-INIZCTEOSA-N 1 0 389.297 2.528 20 0 GFADRO Nc1ncc(C[N@@H+]2CCC[C@H](C(=O)Nc3ccc(Br)cn3)C2)s1 ZINC000261884143 553161597 /nfs/dbraw/zinc/16/15/97/553161597.db2.gz ROOUKZVOMJXAFP-JTQLQIEISA-N 1 0 396.314 2.734 20 0 GFADRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1 ZINC000261876741 553161840 /nfs/dbraw/zinc/16/18/40/553161840.db2.gz SXNVPCXULCVRJY-KGLIPLIRSA-N 1 0 384.929 2.622 20 0 GFADRO CC[C@H](Sc1ccccc1)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000261903814 553162238 /nfs/dbraw/zinc/16/22/38/553162238.db2.gz SAUYVONBNYVALE-GJZGRUSLSA-N 1 0 375.460 2.510 20 0 GFADRO CC[C@H](CNC(=O)[C@@H]([NH3+])C1CCOCC1)Cc1cccc(Br)c1 ZINC000261919282 553162910 /nfs/dbraw/zinc/16/29/10/553162910.db2.gz YMFSHWSHLJTJOC-GUYCJALGSA-N 1 0 383.330 2.888 20 0 GFADRO [NH3+]C[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1cccc(Br)c1Cl ZINC000261987346 553164173 /nfs/dbraw/zinc/16/41/73/553164173.db2.gz DJPILJZRTURHFD-ONGXEEELSA-N 1 0 381.723 2.898 20 0 GFADRO Cn1cc([C@H]2C[NH2+]C[C@@H]2C(=O)NC(C)(C)c2ccc(Br)cc2)cn1 ZINC000261984310 553164291 /nfs/dbraw/zinc/16/42/91/553164291.db2.gz RZECJQYOLJPIIP-CVEARBPZSA-N 1 0 391.313 2.537 20 0 GFADRO O=C(Nc1ccc(N2CC[NH2+]CC2)cn1)c1cc(F)c(F)cc1Br ZINC000262059103 553165420 /nfs/dbraw/zinc/16/54/20/553165420.db2.gz IHALIVMNPYYSTI-UHFFFAOYSA-N 1 0 397.223 2.784 20 0 GFADRO [NH3+]CCC(=O)NC[C@H]1CCCCN1Cc1cc(Cl)ccc1Br ZINC000262097025 553165947 /nfs/dbraw/zinc/16/59/47/553165947.db2.gz VFOXVHDRTLYRNY-CQSZACIVSA-N 1 0 388.737 2.922 20 0 GFADRO C[C@]1(C[NH3+])CCN(C(=O)[C@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)C1 ZINC000262113249 553165985 /nfs/dbraw/zinc/16/59/85/553165985.db2.gz VUPLKYXQCPJELY-CRAIPNDOSA-N 1 0 384.307 2.795 20 0 GFADRO O=C(C[C@@H]1COCC[NH2+]1)Nc1ncc(Cc2cccc(Br)c2)s1 ZINC000262317079 553168957 /nfs/dbraw/zinc/16/89/57/553168957.db2.gz CIWKWYSZUZLDSZ-CYBMUJFWSA-N 1 0 396.310 2.813 20 0 GFADRO C[C@H]1C[C@@H](C(=O)N2CCN(Cc3ccc(Br)s3)CC2)CC[NH2+]1 ZINC000262389322 553169730 /nfs/dbraw/zinc/16/97/30/553169730.db2.gz MNUZATFZEZLLIH-STQMWFEESA-N 1 0 386.359 2.543 20 0 GFADRO CCN(Cc1cc(Br)ccc1F)C(=O)C1(COC)CC[NH2+]CC1 ZINC000262356348 553169924 /nfs/dbraw/zinc/16/99/24/553169924.db2.gz JLJCLNVUYPKKBG-UHFFFAOYSA-N 1 0 387.293 2.953 20 0 GFADRO O=C(COc1cccc(Br)c1)NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000262416607 553170478 /nfs/dbraw/zinc/17/04/78/553170478.db2.gz RFLUYSYFGDKPFH-KRWDZBQOSA-N 1 0 375.266 2.831 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000262441757 553170829 /nfs/dbraw/zinc/17/08/29/553170829.db2.gz TTWMASLMTYYDHX-STQMWFEESA-N 1 0 382.302 2.590 20 0 GFADRO COCC1(C(=O)NCCCOc2ccc(Cl)cc2Cl)CC[NH2+]CC1 ZINC000262430435 553170935 /nfs/dbraw/zinc/17/09/35/553170935.db2.gz WKSODBLSFKZARN-UHFFFAOYSA-N 1 0 375.296 2.895 20 0 GFADRO O=S(=O)(NC[C@H]1[NH2+]CCc2ccccc21)c1ccccc1Br ZINC000262480624 553171223 /nfs/dbraw/zinc/17/12/23/553171223.db2.gz JXHXKBYVZQHYQF-OAHLLOKOSA-N 1 0 381.295 2.614 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000262521846 553171776 /nfs/dbraw/zinc/17/17/76/553171776.db2.gz IWJGBANAHFTXCM-BJJXKVORSA-N 1 0 394.313 2.733 20 0 GFADRO O=C(c1cc(=O)[nH]c2ccc(Br)cc21)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262617749 553173005 /nfs/dbraw/zinc/17/30/05/553173005.db2.gz ZOODDBSAZSMPAQ-NEPJUHHUSA-N 1 0 376.254 2.669 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2Br)C1 ZINC000262743240 553174495 /nfs/dbraw/zinc/17/44/95/553174495.db2.gz CVSWZSFFPNCLRB-UWVGGRQHSA-N 1 0 381.723 2.850 20 0 GFADRO [NH3+]Cc1cc(C(=O)N2CCN(C(=O)c3cc4sccc4s3)CC2)co1 ZINC000262754055 553175091 /nfs/dbraw/zinc/17/50/91/553175091.db2.gz ANHYCJOJBMEOBY-UHFFFAOYSA-N 1 0 375.475 2.613 20 0 GFADRO C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)CCC[S@@](=O)c1ccc(Br)cc1 ZINC000262827677 553176714 /nfs/dbraw/zinc/17/67/14/553176714.db2.gz UIVDKEGVTZLLMC-UAGWRWDDSA-N 1 0 387.343 2.546 20 0 GFADRO C[C@@]1([NH3+])CCCC[C@H]1C(=O)Nc1ncn(Cc2cccc(Br)c2)n1 ZINC000262907658 553178364 /nfs/dbraw/zinc/17/83/64/553178364.db2.gz FHWDOIZJYQCAQS-WMLDXEAASA-N 1 0 392.301 2.935 20 0 GFADRO C[C@]1([NH3+])CCCC[C@@H]1C(=O)NCc1cc(Br)c2c(c1)OCCO2 ZINC000263058744 553181503 /nfs/dbraw/zinc/18/15/03/553181503.db2.gz VDPQVOZULVDAKS-PXAZEXFGSA-N 1 0 383.286 2.744 20 0 GFADRO CC[NH+]1CCN(CCC(=O)N[C@@H](C)CCc2ccc(Br)cc2)CC1 ZINC000263701659 553191292 /nfs/dbraw/zinc/19/12/92/553191292.db2.gz SHRUDTNMQKMSAZ-INIZCTEOSA-N 1 0 396.373 2.914 20 0 GFADRO Cc1cc(S(=O)(=O)NCC[C@@H]2CCC[N@@H+](C)C2)ccc1Br ZINC000416567485 563849691 /nfs/dbraw/zinc/84/96/91/563849691.db2.gz VZSHMDJSFBXUIP-ZDUSSCGKSA-N 1 0 375.332 2.768 20 0 GFADRO COC[C@@]1(CNC(=O)COc2cc(Cl)c(Cl)cc2Cl)CCC[NH2+]1 ZINC000564443599 564233869 /nfs/dbraw/zinc/23/38/69/564233869.db2.gz QYKWGSBINXMNKE-HNNXBMFYSA-N 1 0 381.687 2.910 20 0 GFADRO CO[C@H](c1ccc(Br)cc1)[C@@H](C)[NH2+][C@@H]1CCCS(=O)(=O)C1 ZINC000540398766 564247168 /nfs/dbraw/zinc/24/71/68/564247168.db2.gz TYEOKMNVKRFWEO-DFBGVHRSSA-N 1 0 376.316 2.692 20 0 GFADRO C[C@H]1C[C@H]([NH2+]CCOc2ccc(I)cc2)CN1C1CC1 ZINC000509439749 564299143 /nfs/dbraw/zinc/29/91/43/564299143.db2.gz PMDRIXGPJNRQAN-JSGCOSHPSA-N 1 0 386.277 2.885 20 0 GFADRO C[C@@H](CO)CCC[NH2+][C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000480168099 564462467 /nfs/dbraw/zinc/46/24/67/564462467.db2.gz UCMKONBPZLOXBO-RISCZKNCSA-N 1 0 376.316 2.666 20 0 GFADRO O=C(Cc1sccc1Br)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000294972663 563223642 /nfs/dbraw/zinc/22/36/42/563223642.db2.gz NIZSQCYINJCIQM-LBPRGKRZSA-N 1 0 387.343 2.670 20 0 GFADRO CC(C)[NH+]1CCN([C@H]2CCN(C(=O)c3ccc(Br)s3)C2)CC1 ZINC000370425442 563243045 /nfs/dbraw/zinc/24/30/45/563243045.db2.gz SPEMFXATQJNKCD-ZDUSSCGKSA-N 1 0 386.359 2.751 20 0 GFADRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)Nc1cccc(Br)c1Cl ZINC000421308849 563306809 /nfs/dbraw/zinc/30/68/09/563306809.db2.gz YVDBMXPBVCGJOO-SNVBAGLBSA-N 1 0 388.693 2.594 20 0 GFADRO Cc1csc(C(=O)NC2CCC(N3CC[NH2+]CC3)CC2)c1Br ZINC000423960947 563365708 /nfs/dbraw/zinc/36/57/08/563365708.db2.gz YXLBZORQIXEFGD-UHFFFAOYSA-N 1 0 386.359 2.765 20 0 GFADRO [NH3+]C[C@H]1CN(Cc2ccc(Br)c(Br)c2)CCCO1 ZINC000313339364 563437836 /nfs/dbraw/zinc/43/78/36/563437836.db2.gz KQOSVOXXXKGJEF-NSHDSACASA-N 1 0 378.108 2.761 20 0 GFADRO O=C(c1cc(Cl)ccc1I)N1CCn2cncc2C1 ZINC000378107227 563496149 /nfs/dbraw/zinc/49/61/49/563496149.db2.gz JCCHSUFCYLXOKA-UHFFFAOYSA-N 1 0 387.608 2.797 20 0 GFADRO C[C@H]1[C@@H]([NH+](C)C)CCN1S(=O)(=O)c1c(Cl)cccc1Br ZINC000380777934 563515108 /nfs/dbraw/zinc/51/51/08/563515108.db2.gz RSZKGOUGUIKATG-CABZTGNLSA-N 1 0 381.723 2.816 20 0 GFADRO NC(=O)[C@@H]1CCCN1CCC[NH2+]C1CC(c2cccc(Br)c2)C1 ZINC000277561387 563213567 /nfs/dbraw/zinc/21/35/67/563213567.db2.gz NGWQFHBPQKYKHE-PREGVCBESA-N 1 0 380.330 2.625 20 0 GFADRO O=C(NCCc1ccc(Br)cc1Cl)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000418239863 563213815 /nfs/dbraw/zinc/21/38/15/563213815.db2.gz ZDHROBCQYHMMQT-QWHCGFSZSA-N 1 0 386.721 2.896 20 0 GFADRO CO[C@@H]1CCN(C(=O)N[C@H](C)c2ccc(F)c(Br)c2)[C@@H](C[NH3+])C1 ZINC000418212486 563214286 /nfs/dbraw/zinc/21/42/86/563214286.db2.gz GFBWPSOSHDQVDB-RAIGVLPGSA-N 1 0 388.281 2.797 20 0 GFADRO O=C(NCCc1ccc(Br)cc1Cl)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000418239862 563214316 /nfs/dbraw/zinc/21/43/16/563214316.db2.gz ZDHROBCQYHMMQT-OLZOCXBDSA-N 1 0 386.721 2.896 20 0 GFADRO [NH3+]CC[C@@H](NC(=O)NCCC(=O)Nc1cc(Cl)cc(Cl)c1)C(F)F ZINC000418223196 563214330 /nfs/dbraw/zinc/21/43/30/563214330.db2.gz XHMGMYORLYLXAQ-LLVKDONJSA-N 1 0 383.226 2.604 20 0 GFADRO CC1(C)CCC[NH2+][C@H]1CNC(=O)NCc1nc2c(cccc2Br)[nH]1 ZINC000418262334 563214897 /nfs/dbraw/zinc/21/48/97/563214897.db2.gz IESJYFXEGGULQI-ZDUSSCGKSA-N 1 0 394.317 2.903 20 0 GFADRO O=C(N[C@@H]1CCc2c1ccc(F)c2Br)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000418254118 563214933 /nfs/dbraw/zinc/21/49/33/563214933.db2.gz QGBNAXDEBSUGKY-ZIBATOQPSA-N 1 0 382.277 2.826 20 0 GFADRO Cc1nc(CNC(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)sc1Br ZINC000418244356 563215052 /nfs/dbraw/zinc/21/50/52/563215052.db2.gz XBNAOWYMWJLPRR-XYPYZODXSA-N 1 0 375.336 2.778 20 0 GFADRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)NCc3nc4c(cccc4Br)[nH]3)C[C@H]21 ZINC000418262779 563215065 /nfs/dbraw/zinc/21/50/65/563215065.db2.gz ITIRCRNPLZGUKK-DMDPSCGWSA-N 1 0 392.301 2.594 20 0 GFADRO C[NH2+]C[C@H](C)CNC(=O)N1CCO[C@@H](c2ccc(Br)cc2)[C@H]1C ZINC000418392919 563216317 /nfs/dbraw/zinc/21/63/17/563216317.db2.gz QHEBNHPXALBFRE-WOSRLPQWSA-N 1 0 384.318 2.776 20 0 GFADRO O=C(CCc1cccc(F)c1Br)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000294778238 563216405 /nfs/dbraw/zinc/21/64/05/563216405.db2.gz AKGZZBAVWAIODS-CQSZACIVSA-N 1 0 399.304 2.702 20 0 GFADRO C[NH2+]C[C@@H](C)CNC(=O)N1CCC[C@@H]1C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000418398222 563217009 /nfs/dbraw/zinc/21/70/09/563217009.db2.gz VZKZDKAEVBKMIH-IAQYHMDHSA-N 1 0 387.311 2.961 20 0 GFADRO CC(C)([NH3+])CNC(=O)N1CCC[C@H]1c1ccc(I)cc1 ZINC000418434451 563217744 /nfs/dbraw/zinc/21/77/44/563217744.db2.gz VMYAQBOYUGNUOJ-ZDUSSCGKSA-N 1 0 387.265 2.875 20 0 GFADRO C[C@H](CC[NH3+])NC(=O)N1CCC(C(=O)Nc2cccc(Br)c2)CC1 ZINC000418515562 563219171 /nfs/dbraw/zinc/21/91/71/563219171.db2.gz BPVXNOGGDCWQHQ-GFCCVEGCSA-N 1 0 397.317 2.547 20 0 GFADRO CN(CCOc1ccc(Br)cc1)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000418522846 563219255 /nfs/dbraw/zinc/21/92/55/563219255.db2.gz UGXBVGZPPHXOKE-UHFFFAOYSA-N 1 0 384.318 2.859 20 0 GFADRO Cc1ncc(C[N@@H+]2CC[C@@H](NC(=O)N(C)Cc3cscn3)[C@H](C)C2)s1 ZINC000369611101 563219350 /nfs/dbraw/zinc/21/93/50/563219350.db2.gz DCLSDIRDOGORKK-MLGOLLRUSA-N 1 0 379.555 2.960 20 0 GFADRO Cc1ccc(CN(C[C@H]2CCCO2)C(=O)N[C@H](C)C[NH3+])c(Br)c1 ZINC000418521765 563219665 /nfs/dbraw/zinc/21/96/65/563219665.db2.gz JAVGQQMFHQRDMM-UKRRQHHQSA-N 1 0 384.318 2.795 20 0 GFADRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N[C@@H](CO)c1ccc(Cl)cc1C(F)(F)F ZINC000418573696 563220243 /nfs/dbraw/zinc/22/02/43/563220243.db2.gz LMLUKRAPYWJTMZ-FZQKWOKYSA-N 1 0 379.810 2.689 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)N[C@H](CO)c2ccc(Cl)cc2C(F)(F)F)CC[NH2+]1 ZINC000418611686 563221602 /nfs/dbraw/zinc/22/16/02/563221602.db2.gz VHQSCIDOXCRELT-OLUVUFQESA-N 1 0 379.810 2.832 20 0 GFADRO [NH3+]C[C@H]1CC[C@H](CNC(=O)N[C@H](CO)c2ccc(Br)cc2)CC1 ZINC000418677088 563221963 /nfs/dbraw/zinc/22/19/63/563221963.db2.gz AIEQADXZRZHYDK-XJKCOSOUSA-N 1 0 384.318 2.547 20 0 GFADRO O=C(N[C@@H](CCO)c1ccccc1Br)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000418659053 563222010 /nfs/dbraw/zinc/22/20/10/563222010.db2.gz LBGOKAJNRKNBPV-BHYGNILZSA-N 1 0 396.329 2.560 20 0 GFADRO CN(C)C(=O)CN1CCC([NH2+][C@H]2CCc3c2ccc(F)c3Br)CC1 ZINC000294932988 563222488 /nfs/dbraw/zinc/22/24/88/563222488.db2.gz DJJVZOCZYBYLEC-INIZCTEOSA-N 1 0 398.320 2.718 20 0 GFADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)Nc1cc(F)cc(Br)c1F ZINC000369721971 563222653 /nfs/dbraw/zinc/22/26/53/563222653.db2.gz HWUQGCFWSXWJPT-MNOVXSKESA-N 1 0 390.228 2.712 20 0 GFADRO CC[C@@H]([NH3+])CNC(=O)N1CCN([C@H](C)c2ccc(Br)cc2)CC1 ZINC000418715003 563222982 /nfs/dbraw/zinc/22/29/82/563222982.db2.gz QPXSVSYUTKTGSN-CZUORRHYSA-N 1 0 383.334 2.575 20 0 GFADRO [NH3+][C@H]1CCC[C@@H](CNC(=O)N(CCO)Cc2ccc(Br)s2)C1 ZINC000418728046 563223736 /nfs/dbraw/zinc/22/37/36/563223736.db2.gz QVGKPJPZKNSVST-NEPJUHHUSA-N 1 0 390.347 2.532 20 0 GFADRO COCCN(Cc1ccc(F)c(Cl)c1)C(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000418756660 563224277 /nfs/dbraw/zinc/22/42/77/563224277.db2.gz YMLBTULXUDLOLO-AWEZNQCLSA-N 1 0 379.810 2.634 20 0 GFADRO [NH3+]C1CCN(C(=O)C(=O)N[C@@H](c2cccs2)c2ccc(Cl)cc2)CC1 ZINC000418755641 563224337 /nfs/dbraw/zinc/22/43/37/563224337.db2.gz DCGWTGNQRNGYFO-MRXNPFEDSA-N 1 0 377.897 2.557 20 0 GFADRO [NH3+]C[C@@H]1CC[C@H](NC(=O)N2CCO[C@@H](c3ccc(Br)cc3)C2)C1 ZINC000418756653 563224437 /nfs/dbraw/zinc/22/44/37/563224437.db2.gz AIBGPQRQCDKGAG-UHOFOFEASA-N 1 0 382.302 2.659 20 0 GFADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+]C1CCSCC1 ZINC000294986005 563224700 /nfs/dbraw/zinc/22/47/00/563224700.db2.gz HGQQJVGOPBXUGU-LLVKDONJSA-N 1 0 387.343 2.948 20 0 GFADRO CC(C)C[C@](C)(NC(=O)NC[C@H]1C[NH2+]CCO1)c1cccc(Br)c1 ZINC000418768097 563225088 /nfs/dbraw/zinc/22/50/88/563225088.db2.gz ORAJBWCIYWBBLI-AEFFLSMTSA-N 1 0 398.345 2.998 20 0 GFADRO O=C(N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)N1CCc2c(Br)cccc2C1 ZINC000418792109 563225648 /nfs/dbraw/zinc/22/56/48/563225648.db2.gz NJIIHSBWCLQOQF-VHDGCEQUSA-N 1 0 378.314 2.905 20 0 GFADRO C[C@H]([NH2+][C@H]1CCN(CCN2CCOCC2)C1)c1cccc(Br)c1 ZINC000369883061 563227359 /nfs/dbraw/zinc/22/73/59/563227359.db2.gz PESFAYKNGBPVJQ-YJBOKZPZSA-N 1 0 382.346 2.506 20 0 GFADRO C[NH2+]CCCNC(=O)C(=O)NC[C@H](Cc1ccc(Cl)cc1Cl)C(C)C ZINC000418859684 563228634 /nfs/dbraw/zinc/22/86/34/563228634.db2.gz YRBVRUYULIXLJD-AWEZNQCLSA-N 1 0 388.339 2.650 20 0 GFADRO CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)NC[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000369929866 563228873 /nfs/dbraw/zinc/22/88/73/563228873.db2.gz JMCQBCSSMSDGLL-BORJPKMPSA-N 1 0 387.307 2.676 20 0 GFADRO CC[NH+](CC)[C@H]1CCN(S(=O)(=O)c2cnc(Cl)c(Br)c2)C1 ZINC000295144810 563231015 /nfs/dbraw/zinc/23/10/15/563231015.db2.gz CNZIMEDULDVPIH-JTQLQIEISA-N 1 0 396.738 2.602 20 0 GFADRO CC[N@H+](C)C[C@H]1CCN(S(=O)(=O)c2cc(OC)cc(C(F)(F)F)c2)C1 ZINC000295155147 563231656 /nfs/dbraw/zinc/23/16/56/563231656.db2.gz DQDZPKXGTYFGGW-GFCCVEGCSA-N 1 0 380.432 2.676 20 0 GFADRO C[N@@H+]1CC[C@H]2CCN(Cc3nc(Cc4cccc(Br)c4)no3)C[C@H]21 ZINC000370083355 563232530 /nfs/dbraw/zinc/23/25/30/563232530.db2.gz QPHIVSMWVJEEQV-GOEBONIOSA-N 1 0 391.313 2.949 20 0 GFADRO [NH3+][C@H]1CCCN(C(=O)C(=O)N[C@H](c2ccsc2)c2ccc(Cl)cc2)C1 ZINC000419123588 563234050 /nfs/dbraw/zinc/23/40/50/563234050.db2.gz HFDDBSGFNXRFDX-HOTGVXAUSA-N 1 0 377.897 2.557 20 0 GFADRO C[C@H](NC(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1cccc(Cl)c1Cl ZINC000419237361 563235604 /nfs/dbraw/zinc/23/56/04/563235604.db2.gz CATMWDPCGZCGNF-QNWHQSFQSA-N 1 0 384.307 2.675 20 0 GFADRO O=S(=O)(c1c(F)c(F)c(F)c(F)c1F)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000370231605 563236819 /nfs/dbraw/zinc/23/68/19/563236819.db2.gz DWFORSZLOGOGCG-DTWKUNHWSA-N 1 0 384.370 2.535 20 0 GFADRO C[C@@H]1CN(Cc2ncc(-c3cccc(Br)c3)o2)[C@@H](C)C[N@@H+]1CCO ZINC000419330125 563237360 /nfs/dbraw/zinc/23/73/60/563237360.db2.gz QLACHPPFCIBKAP-KGLIPLIRSA-N 1 0 394.313 2.991 20 0 GFADRO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1Cc1ncc(-c2ccc(Br)cc2)o1 ZINC000419338814 563237892 /nfs/dbraw/zinc/23/78/92/563237892.db2.gz ZJPWDRVLEGTGPG-UONOGXRCSA-N 1 0 394.313 2.991 20 0 GFADRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)NCC(C)(C)c1ccc(Cl)c(Cl)c1 ZINC000419355800 563238514 /nfs/dbraw/zinc/23/85/14/563238514.db2.gz GWKZFJYVOOAEPF-ABAIWWIYSA-N 1 0 386.323 2.501 20 0 GFADRO C[NH+](C)CCN(Cc1ccc(F)cc1F)S(=O)(=O)CC1CC(F)(F)C1 ZINC000295261659 563239088 /nfs/dbraw/zinc/23/90/88/563239088.db2.gz BTHZCTHLLISJOE-UHFFFAOYSA-N 1 0 382.423 2.704 20 0 GFADRO O=C(NCc1cccc(Br)c1)N1CCC[C@H]1C[N@H+]1CCC[C@@H]1CO ZINC000370297070 563239353 /nfs/dbraw/zinc/23/93/53/563239353.db2.gz AUGRGYCTKKZNCH-DLBZAZTESA-N 1 0 396.329 2.580 20 0 GFADRO CC(C)(CNC(=O)C(=O)N1CC[C@@](C)(C[NH3+])C1)c1ccc(Cl)c(Cl)c1 ZINC000419368137 563239707 /nfs/dbraw/zinc/23/97/07/563239707.db2.gz YGMFQFPQKNQGPM-SFHVURJKSA-N 1 0 386.323 2.585 20 0 GFADRO CSCC[C@H]1NC(=S)N(C[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)C1=O ZINC000370310073 563239993 /nfs/dbraw/zinc/23/99/93/563239993.db2.gz XANQOEWAQSCNRN-APWZRJJASA-N 1 0 377.579 2.737 20 0 GFADRO O=C(N[C@@H]1CCC[N@@H+](CCCO)C1)c1cc(Br)ccc1Cl ZINC000295291952 563240602 /nfs/dbraw/zinc/24/06/02/563240602.db2.gz AMHUIFRHMVYPMD-GFCCVEGCSA-N 1 0 375.694 2.679 20 0 GFADRO Cc1nc(NC(=O)N2CCC[C@H]2C[N@@H+]2CCC[C@@H]2CO)ccc1Br ZINC000370419248 563243146 /nfs/dbraw/zinc/24/31/46/563243146.db2.gz UETJKRWFXNBGHN-UONOGXRCSA-N 1 0 397.317 2.606 20 0 GFADRO O=C(NCC1CC[NH+](C2CC2)CC1)N[C@@H](CO)c1cccc(Br)c1 ZINC000278189704 563244371 /nfs/dbraw/zinc/24/43/71/563244371.db2.gz OPKWLGYUUABWKV-KRWDZBQOSA-N 1 0 396.329 2.656 20 0 GFADRO O=C(CCc1ccccc1Br)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000370487324 563245857 /nfs/dbraw/zinc/24/58/57/563245857.db2.gz IRWZINLZFRFQJV-MRXNPFEDSA-N 1 0 381.314 2.751 20 0 GFADRO CC(C)(CNC(=O)C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1)c1c(Cl)cccc1Cl ZINC000419694736 563246027 /nfs/dbraw/zinc/24/60/27/563246027.db2.gz LEXSWOJISDFQCW-VXGBXAGGSA-N 1 0 386.323 2.631 20 0 GFADRO Cn1cc([C@H](NC(=O)NC[C@@H](c2ccsc2)[NH+](C)C)C(F)(F)F)cn1 ZINC000278233058 563246219 /nfs/dbraw/zinc/24/62/19/563246219.db2.gz FRRSZVZPHHTRDQ-STQMWFEESA-N 1 0 375.420 2.687 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+][C@@H]1CCC[C@H]1CCO ZINC000295438846 563247591 /nfs/dbraw/zinc/24/75/91/563247591.db2.gz PGBRJBRJTJDQQP-HEHGZKQESA-N 1 0 399.329 2.603 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+][C@H]1CCC[C@H]1CCO ZINC000295438872 563247704 /nfs/dbraw/zinc/24/77/04/563247704.db2.gz PGBRJBRJTJDQQP-XEZPLFJOSA-N 1 0 399.329 2.603 20 0 GFADRO Cc1ccc(Br)c(C(=O)N2CCC[C@@H](C[NH+]3CCN(C)CC3)C2)c1 ZINC000370574875 563248682 /nfs/dbraw/zinc/24/86/82/563248682.db2.gz YMACGSWXNHZDQO-INIZCTEOSA-N 1 0 394.357 2.857 20 0 GFADRO CCCN(C(=O)C1CCN(C(=O)c2ccc(Cl)s2)CC1)[C@@H]1CC[NH2+]C1 ZINC000370593101 563249458 /nfs/dbraw/zinc/24/94/58/563249458.db2.gz LGCJGZJEMJROKA-CQSZACIVSA-N 1 0 383.945 2.854 20 0 GFADRO C[C@H]1c2cc(Cl)c(Cl)cc2CCN1C(=O)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000419915667 563252501 /nfs/dbraw/zinc/25/25/01/563252501.db2.gz PNFFOJBLXOZVSJ-NWDGAFQWSA-N 1 0 384.307 2.555 20 0 GFADRO O=C(NC[C@@H]1CCC[C@@H]1[NH+]1CCOCC1)c1cc(Br)ccc1F ZINC000370757340 563253948 /nfs/dbraw/zinc/25/39/48/563253948.db2.gz HNERROGDSJATPB-LRDDRELGSA-N 1 0 385.277 2.819 20 0 GFADRO COc1ccc(Br)c(C(=O)NC[C@H]2CCC[C@H]2[NH+]2CCOCC2)c1 ZINC000370758660 563254179 /nfs/dbraw/zinc/25/41/79/563254179.db2.gz LCTYCUMRAIDYHO-CXAGYDPISA-N 1 0 397.313 2.688 20 0 GFADRO O=C1[C@H]([NH2+]C2CCC3(CC2)OCCO3)CCN1c1cccc(Br)c1 ZINC000278416041 563254570 /nfs/dbraw/zinc/25/45/70/563254570.db2.gz IDWGJTWFIMWIRG-MRXNPFEDSA-N 1 0 395.297 2.830 20 0 GFADRO O=C(Cc1ccc(F)c(Br)c1)NC[C@H]1CCC[C@H]1[NH+]1CCOCC1 ZINC000370764213 563254687 /nfs/dbraw/zinc/25/46/87/563254687.db2.gz XBALQGNTZGHBNO-RHSMWYFYSA-N 1 0 399.304 2.748 20 0 GFADRO O=C(NC[C@@H]1CCC[C@@H]1[NH+]1CCOCC1)c1cc(F)cc(Br)c1 ZINC000370777553 563254700 /nfs/dbraw/zinc/25/47/00/563254700.db2.gz ZFASFSXKUZKEOY-LRDDRELGSA-N 1 0 385.277 2.819 20 0 GFADRO C[NH+](C)CC[C@](C)(O)CNC(=O)C(C)(C)c1csc(-c2cccs2)n1 ZINC000420000664 563255961 /nfs/dbraw/zinc/25/59/61/563255961.db2.gz QEJOJAIDARGGED-SFHVURJKSA-N 1 0 381.567 2.968 20 0 GFADRO Cc1cc(C(=O)NC[C@](C)(O)CC[NH+](C)C)cc(Cl)c1Br ZINC000419999285 563256146 /nfs/dbraw/zinc/25/61/46/563256146.db2.gz OFDLQCCUYZZEKB-OAHLLOKOSA-N 1 0 377.710 2.843 20 0 GFADRO O=C(Cc1cc(Cl)ccc1Br)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000370806211 563256484 /nfs/dbraw/zinc/25/64/84/563256484.db2.gz OLAFUOBTERGWSB-UONOGXRCSA-N 1 0 387.705 2.624 20 0 GFADRO C[NH+](C)CC[C@@](C)(O)CNC(=O)CCc1cc(Cl)ccc1Br ZINC000420012224 563256900 /nfs/dbraw/zinc/25/69/00/563256900.db2.gz IQJMEPMVQCCZQX-MRXNPFEDSA-N 1 0 391.737 2.854 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]CC1(C)CCOCC1 ZINC000295665845 563257496 /nfs/dbraw/zinc/25/74/96/563257496.db2.gz JRPLPVOOHVLQBV-ZDUSSCGKSA-N 1 0 399.329 2.869 20 0 GFADRO O=C1[C@H](N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CCN1c1cccc(Br)c1 ZINC000278486495 563257758 /nfs/dbraw/zinc/25/77/58/563257758.db2.gz PDCPVTZCLYKCIZ-ZMSDIMECSA-N 1 0 378.314 2.771 20 0 GFADRO O=C(NCC1=CC[NH2+]CC1)C(=O)N(Cc1ccc(Cl)c(Cl)c1)C1CC1 ZINC000420143571 563258739 /nfs/dbraw/zinc/25/87/39/563258739.db2.gz YKAFTSUBCIPWNX-UHFFFAOYSA-N 1 0 382.291 2.520 20 0 GFADRO CC(C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000420135374 563258853 /nfs/dbraw/zinc/25/88/53/563258853.db2.gz VEIOZHVHOVAWSJ-BLLLJJGKSA-N 1 0 386.323 2.845 20 0 GFADRO Cn1ncc(Br)c1C[NH2+]CCc1ccn(-c2ccc(F)cc2)n1 ZINC000278551435 563260909 /nfs/dbraw/zinc/26/09/09/563260909.db2.gz VBAAJMOHIWRSHE-UHFFFAOYSA-N 1 0 378.249 2.840 20 0 GFADRO C[C@@H](C[NH2+]C[C@H](O)CS(=O)(=O)c1cccs1)c1cc(F)cc(F)c1 ZINC000295808267 563263357 /nfs/dbraw/zinc/26/33/57/563263357.db2.gz TXUFEKKCRIAUMW-NHYWBVRUSA-N 1 0 375.462 2.554 20 0 GFADRO Cn1nc(C(F)(F)F)c(C[NH2+][C@@H]2CCCN(c3ccnn3C)C2)c1Cl ZINC000278634244 563264021 /nfs/dbraw/zinc/26/40/21/563264021.db2.gz IKYGGBQYJBRBAG-SNVBAGLBSA-N 1 0 376.814 2.584 20 0 GFADRO COc1cc(Br)c(S(=O)(=O)N[C@@H]2CC[C@H](C[NH3+])C2)cc1Cl ZINC000420461847 563264432 /nfs/dbraw/zinc/26/44/32/563264432.db2.gz UZHYPUQRLVTUMY-DTWKUNHWSA-N 1 0 397.722 2.517 20 0 GFADRO O=S(=O)(c1cc(Br)ccc1F)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420470552 563264928 /nfs/dbraw/zinc/26/49/28/563264928.db2.gz XAALYFWTLCTOOR-RISCZKNCSA-N 1 0 391.306 2.741 20 0 GFADRO C[C@H]1CCN(S(=O)(=O)c2ccc(Cl)cc2Br)C[C@@H]1C[NH3+] ZINC000420474044 563265153 /nfs/dbraw/zinc/26/51/53/563265153.db2.gz DYAXTLRSCHWFFL-UWVGGRQHSA-N 1 0 381.723 2.708 20 0 GFADRO O=S(=O)(c1sccc1Br)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420471669 563265259 /nfs/dbraw/zinc/26/52/59/563265259.db2.gz YNDXCFOMWOQKIB-ZYHUDNBSSA-N 1 0 379.345 2.663 20 0 GFADRO Ic1ccc(C[NH2+]CCCOC2CCOCC2)cc1 ZINC000295878965 563266339 /nfs/dbraw/zinc/26/63/39/563266339.db2.gz XWPUUUKFESLDBW-UHFFFAOYSA-N 1 0 375.250 2.967 20 0 GFADRO C[NH+]1CCN(c2cccc(-c3noc(-c4cc(Br)co4)n3)n2)CC1 ZINC000420489450 563266935 /nfs/dbraw/zinc/26/69/35/563266935.db2.gz FSLRKNZONNKIOE-UHFFFAOYSA-N 1 0 390.241 2.906 20 0 GFADRO CCOC(=O)[C@H](F)C1C[NH+](CCC(=O)Nc2cccc(Br)c2)C1 ZINC000295891729 563267008 /nfs/dbraw/zinc/26/70/08/563267008.db2.gz GHGJEFHDOAECHA-OAHLLOKOSA-N 1 0 387.249 2.611 20 0 GFADRO O=S(=O)(NC1CCN(CCC[NH+]2CCCC2)CC1)c1ccc(Cl)cc1 ZINC000371187842 563267603 /nfs/dbraw/zinc/26/76/03/563267603.db2.gz GWUHAHLUHMRAJF-UHFFFAOYSA-N 1 0 385.961 2.569 20 0 GFADRO C[C@@H]1C[N@H+](CCCNC(=O)CCc2ccc(Br)cc2)CCCO1 ZINC000278724637 563268435 /nfs/dbraw/zinc/26/84/35/563268435.db2.gz WBWLTCCHVGCZRM-OAHLLOKOSA-N 1 0 383.330 2.999 20 0 GFADRO CC1CC[NH+](CCCNS(=O)(=O)c2cc(F)ccc2OC(F)F)CC1 ZINC000420654535 563269776 /nfs/dbraw/zinc/26/97/76/563269776.db2.gz NIKCXPWNIKCQCQ-UHFFFAOYSA-N 1 0 380.432 2.827 20 0 GFADRO C[C@H]1C[C@H](N(C)C(=O)c2ccc(I)cc2F)CC[N@@H+]1C ZINC000295958717 563269940 /nfs/dbraw/zinc/26/99/40/563269940.db2.gz UYWTWRZZFHOQIU-CMPLNLGQSA-N 1 0 390.240 2.985 20 0 GFADRO NC(=O)[C@H]([NH2+][C@H]1CCCN(c2ccccn2)C1)c1ccc(Br)cc1 ZINC000371310810 563272424 /nfs/dbraw/zinc/27/24/24/563272424.db2.gz OYRVAIGKIQEGCR-DOTOQJQBSA-N 1 0 389.297 2.629 20 0 GFADRO C[NH+](C)CC1(CNS(=O)(=O)c2cc(F)ccc2OC(F)F)CCCC1 ZINC000420682720 563273581 /nfs/dbraw/zinc/27/35/81/563273581.db2.gz AUPZAXRBLAPELH-UHFFFAOYSA-N 1 0 380.432 2.827 20 0 GFADRO C[C@H](Cc1ccc(Br)cc1)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000371370835 563275072 /nfs/dbraw/zinc/27/50/72/563275072.db2.gz ZEDZYFDSSBRLOB-XOKHGSTOSA-N 1 0 381.314 2.607 20 0 GFADRO C[N@@H+]1C[C@@H]2CN(S(=O)(=O)c3cncc(Cl)c3)C[C@H]2[C@@H]1c1ccccc1 ZINC000371371500 563275158 /nfs/dbraw/zinc/27/51/58/563275158.db2.gz SEMYLGSLWMJVNT-OLMNPRSZSA-N 1 0 377.897 2.658 20 0 GFADRO CC1CCC([NH+]2CCC(NC(=O)c3csc(S(C)(=O)=O)c3)CC2)CC1 ZINC000371384857 563275830 /nfs/dbraw/zinc/27/58/30/563275830.db2.gz NKFJAIDEZYUYAN-UHFFFAOYSA-N 1 0 384.567 2.925 20 0 GFADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)Nc1cncc(Br)c1 ZINC000278940207 563276975 /nfs/dbraw/zinc/27/69/75/563276975.db2.gz XMTGEDMFJMIERL-LBPRGKRZSA-N 1 0 383.290 2.561 20 0 GFADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)Cc1sccc1Br ZINC000296217638 563279333 /nfs/dbraw/zinc/27/93/33/563279333.db2.gz MPXAWKNKGVAYEE-GFCCVEGCSA-N 1 0 387.343 2.765 20 0 GFADRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1S(=O)(=O)c1cc(F)ccc1OC(F)F ZINC000420726189 563279393 /nfs/dbraw/zinc/27/93/93/563279393.db2.gz MWCDKSJVZRDHPH-DGCLKSJQSA-N 1 0 378.416 2.674 20 0 GFADRO COc1ccc(S(=O)(=O)N2CC[C@H]3CC[N@H+](C)[C@@H]3C2)c(Cl)c1Cl ZINC000371506431 563280307 /nfs/dbraw/zinc/28/03/07/563280307.db2.gz RIBREBCNWZGTMB-GHMZBOCLSA-N 1 0 379.309 2.717 20 0 GFADRO O=C(NCC[N@@H+]1CCCOCC1)Nc1cc(F)cc(Br)c1F ZINC000279062910 563282281 /nfs/dbraw/zinc/28/22/81/563282281.db2.gz ZLXSCMAGVCZKSM-UHFFFAOYSA-N 1 0 378.217 2.571 20 0 GFADRO Brc1cnn(Cc2cnc(N3CC[NH+](C4CCC4)CC3)s2)c1 ZINC000279110041 563284171 /nfs/dbraw/zinc/28/41/71/563284171.db2.gz YIBVDYCXMYQUTR-UHFFFAOYSA-N 1 0 382.331 2.825 20 0 GFADRO O=C(Cc1ccccc1I)NCC1CC[NH+](C2CC2)CC1 ZINC000279124448 563285156 /nfs/dbraw/zinc/28/51/56/563285156.db2.gz WEGBWHAKOIEIRY-UHFFFAOYSA-N 1 0 398.288 2.824 20 0 GFADRO CC(C)CS(=O)(=O)N1CCC([NH2+]Cc2ccnc(Cl)c2Cl)CC1 ZINC000279146531 563285794 /nfs/dbraw/zinc/28/57/94/563285794.db2.gz ZSPMQKFJUGMNSR-UHFFFAOYSA-N 1 0 380.341 2.928 20 0 GFADRO C[N@H+]1C[C@H]2CN(C(=O)c3ccc(Br)cc3Br)C[C@H]2C1 ZINC000279209952 563287887 /nfs/dbraw/zinc/28/78/87/563287887.db2.gz NPABNJDIPHFOHI-AOOOYVTPSA-N 1 0 388.103 2.845 20 0 GFADRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)N[C@H]1COc2cc(F)c(Br)cc21 ZINC000420860911 563289058 /nfs/dbraw/zinc/28/90/58/563289058.db2.gz IYCLQHUTCRXTOL-HZMBPMFUSA-N 1 0 386.265 2.757 20 0 GFADRO COCCOC1(C[NH2+][C@@H](COC)c2cccc(Cl)c2F)CCOCC1 ZINC000296522916 563290612 /nfs/dbraw/zinc/29/06/12/563290612.db2.gz QBEVNXXVPSTKKX-INIZCTEOSA-N 1 0 375.868 2.968 20 0 GFADRO Cn1cc([C@@H]2[C@@H](CNC(=O)c3occc3Br)CCC[N@@H+]2C)cn1 ZINC000371919069 563290913 /nfs/dbraw/zinc/29/09/13/563290913.db2.gz RQQPKWSRDNDXGS-RISCZKNCSA-N 1 0 381.274 2.589 20 0 GFADRO CC[C@H](CNS(C)(=O)=O)[NH2+][C@@H](C)c1ccc(SC(F)F)c(OC)c1 ZINC000296549529 563291776 /nfs/dbraw/zinc/29/17/76/563291776.db2.gz RKJMCFFXPXRORU-CMPLNLGQSA-N 1 0 382.498 2.988 20 0 GFADRO COc1ccccc1CC[NH2+]C1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000371984977 563292930 /nfs/dbraw/zinc/29/29/30/563292930.db2.gz QOASVRXRDCKYAM-UHFFFAOYSA-N 1 0 380.535 2.742 20 0 GFADRO OCC[C@H]1CCC[N@H+](C[C@@H](O)COc2cc(F)cc(Br)c2)CC1 ZINC000421021980 563293121 /nfs/dbraw/zinc/29/31/21/563293121.db2.gz UCROOFULRNEILT-XJKSGUPXSA-N 1 0 390.293 2.812 20 0 GFADRO COC1([C@@H](C)[NH2+]CCC(=O)Nc2cccc(Br)c2)CCOCC1 ZINC000421033357 563294375 /nfs/dbraw/zinc/29/43/75/563294375.db2.gz MSWXVILNRXHCQB-CYBMUJFWSA-N 1 0 385.302 2.951 20 0 GFADRO O[C@H](CN1CCOCC1)C[N@@H+]1CCCC[C@@H]1Cc1cccc(Br)c1 ZINC000421032141 563294517 /nfs/dbraw/zinc/29/45/17/563294517.db2.gz DOSXNYCRMAGLTF-RTBURBONSA-N 1 0 397.357 2.539 20 0 GFADRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)Nc1nnc2ccc(Br)cn21 ZINC000296703018 563297500 /nfs/dbraw/zinc/29/75/00/563297500.db2.gz CABOXPNRRWCXNM-DGCLKSJQSA-N 1 0 393.289 2.582 20 0 GFADRO CO[C@H](CC(C)C)CS(=O)(=O)Nc1ccc(OCC[NH+](C)C)c(F)c1 ZINC000421168353 563298961 /nfs/dbraw/zinc/29/89/61/563298961.db2.gz XYYUJXLAOFMSMW-OAHLLOKOSA-N 1 0 376.494 2.569 20 0 GFADRO Cc1ccc(CCC(=O)N2CCN([C@@H]3CCOC3)CC2)c(Br)c1 ZINC000372241125 563299677 /nfs/dbraw/zinc/29/96/77/563299677.db2.gz MGYUZEWNKCQGOU-MRXNPFEDSA-N 1 0 381.314 2.623 20 0 GFADRO Cc1cc(C[NH2+]C[C@@H]2CC(=O)N(C)[C@H]2c2cnn(C)c2)ccc1Br ZINC000372388992 563304582 /nfs/dbraw/zinc/30/45/82/563304582.db2.gz GXHLAIJVPKAIHT-KBXCAEBGSA-N 1 0 391.313 2.800 20 0 GFADRO Brc1ccc(C[NH2+][C@@H]2C[C@@H]3OCCC[C@H]23)c(N2CCOCC2)c1 ZINC000372417627 563305531 /nfs/dbraw/zinc/30/55/31/563305531.db2.gz PNCPWUFZAIRWFI-NUJGCVRESA-N 1 0 381.314 2.943 20 0 GFADRO O=C(/C=C(/c1ccc(Cl)cc1)C(F)(F)F)NCC[NH+]1CCC(O)CC1 ZINC000296859172 563305658 /nfs/dbraw/zinc/30/56/58/563305658.db2.gz HYDZPXHTBWXZIH-PTNGSMBKSA-N 1 0 376.806 2.859 20 0 GFADRO C[N@@H+]1CCC[C@H](CNC(=O)NC[C@@](C)(O)C(F)(F)F)[C@H]1c1cccs1 ZINC000372478201 563307851 /nfs/dbraw/zinc/30/78/51/563307851.db2.gz OWUIFTNYLJUBOW-OSAQELSMSA-N 1 0 379.448 2.744 20 0 GFADRO C[N@@H+]1CC[C@]2(CCN(C(=O)Nc3ccc4nccnc4c3Br)C2)C1 ZINC000296940582 563309536 /nfs/dbraw/zinc/30/95/36/563309536.db2.gz GXLZDVQVCLNLOB-KRWDZBQOSA-N 1 0 390.285 2.952 20 0 GFADRO C[N@@H+]1CC[C@@]2(CCN(C(=O)Nc3ccc4nccnc4c3Br)C2)C1 ZINC000296940588 563309810 /nfs/dbraw/zinc/30/98/10/563309810.db2.gz GXLZDVQVCLNLOB-QGZVFWFLSA-N 1 0 390.285 2.952 20 0 GFADRO C[C@H](C(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)c1ccc(Br)s1 ZINC000372642814 563313380 /nfs/dbraw/zinc/31/33/80/563313380.db2.gz CWXLIUYWQQCSEJ-XQQFMLRXSA-N 1 0 387.343 2.672 20 0 GFADRO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1cc(F)c(Br)cc1Cl ZINC000279908475 563314661 /nfs/dbraw/zinc/31/46/61/563314661.db2.gz MZXOYCNJASZTKB-JTQLQIEISA-N 1 0 393.684 2.818 20 0 GFADRO C[C@H](CO)[N@@H+]1CCCN(C(=O)Cc2cc(Cl)ccc2Br)CC1 ZINC000372724436 563315277 /nfs/dbraw/zinc/31/52/77/563315277.db2.gz DHLIHDZWLCRUSJ-GFCCVEGCSA-N 1 0 389.721 2.560 20 0 GFADRO C[C@H](C1CC[NH+](C)CC1)N(C)S(=O)(=O)c1ccc(OC(F)F)c(F)c1 ZINC000279963729 563317030 /nfs/dbraw/zinc/31/70/30/563317030.db2.gz YLRVIMNKDFJNBQ-LLVKDONJSA-N 1 0 380.432 2.778 20 0 GFADRO C[NH+](C)Cc1ccsc1C(=O)NCCCCn1cc(Br)cn1 ZINC000279990312 563317844 /nfs/dbraw/zinc/31/78/44/563317844.db2.gz LVNCWQCRZPJSJU-UHFFFAOYSA-N 1 0 385.331 2.979 20 0 GFADRO C[NH+](C)C1CCC(NC(=O)Cc2cc3c(cc2Br)OCCO3)CC1 ZINC000421685211 563319554 /nfs/dbraw/zinc/31/95/54/563319554.db2.gz OYSLCZSQOCFLDK-UHFFFAOYSA-N 1 0 397.313 2.752 20 0 GFADRO C[C@@H]1CCN(C(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)CC[S@@]1=O ZINC000297232893 563320747 /nfs/dbraw/zinc/32/07/47/563320747.db2.gz NIHJMAPQXZNKJU-RKPUJPDHSA-N 1 0 383.583 2.513 20 0 GFADRO O=S1(=O)CC[C@]2(C1)C[C@H]([NH2+]Cc1ccc(F)c(Cl)c1Cl)CCO2 ZINC000372876928 563320938 /nfs/dbraw/zinc/32/09/38/563320938.db2.gz KSHBNSRLAZIISR-IAQYHMDHSA-N 1 0 382.284 2.958 20 0 GFADRO O=C(NC[C@H](CO)Cc1cccc(Br)c1)[C@@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC000372936281 563322937 /nfs/dbraw/zinc/32/29/37/563322937.db2.gz VQYGIXRYWSFVSB-JFIYKMOQSA-N 1 0 395.341 2.591 20 0 GFADRO C[NH+](C)CCn1nccc1NC(=O)NC[C@H](O)c1c(Cl)cccc1Cl ZINC000297296368 563323052 /nfs/dbraw/zinc/32/30/52/563323052.db2.gz HKMFFHLDFBZPCP-ZDUSSCGKSA-N 1 0 386.283 2.607 20 0 GFADRO CCN(CCC[NH+]1CCCC1)C(=O)Nc1nc2cc(Br)ccn2n1 ZINC000297332680 563323448 /nfs/dbraw/zinc/32/34/48/563323448.db2.gz MZDUNJGQBQVMRK-UHFFFAOYSA-N 1 0 395.305 2.832 20 0 GFADRO C[C@@H]([NH2+][C@@H](C)Cn1cccn1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000280140286 563324150 /nfs/dbraw/zinc/32/41/50/563324150.db2.gz PQNQPVWZOLJVAQ-VHSXEESVSA-N 1 0 377.297 2.577 20 0 GFADRO Cc1csc([C@@H](NC(=O)Nc2ccnn2CC[NH+](C)C)C(F)(F)F)n1 ZINC000297478494 563326873 /nfs/dbraw/zinc/32/68/73/563326873.db2.gz RYBWTIHYNAGIMN-LLVKDONJSA-N 1 0 376.408 2.635 20 0 GFADRO C[N@@H+]1CC[C@H]2CCN(c3ncc(Cn4cc(Br)cn4)s3)C[C@H]21 ZINC000373061127 563327809 /nfs/dbraw/zinc/32/78/09/563327809.db2.gz YMJWPMSIEIKYBA-SMDDNHRTSA-N 1 0 382.331 2.681 20 0 GFADRO CS(=O)(=O)c1cc(C(=O)N(CCC[NH3+])Cc2ccccc2)ccc1Cl ZINC000280233694 563328472 /nfs/dbraw/zinc/32/84/72/563328472.db2.gz VMIRYTJDKJMWJO-UHFFFAOYSA-N 1 0 380.897 2.735 20 0 GFADRO CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccoc1Br ZINC000373194780 563331460 /nfs/dbraw/zinc/33/14/60/563331460.db2.gz WZECUYZFIMIJGL-SFHVURJKSA-N 1 0 393.281 2.751 20 0 GFADRO C[C@@H](CC[S@](C)=O)[NH2+]Cc1c(F)ccc(I)c1F ZINC000280355306 563333042 /nfs/dbraw/zinc/33/30/42/563333042.db2.gz RPCHZXFERIMONH-ASCAZGACSA-N 1 0 387.233 2.816 20 0 GFADRO CCOc1cc(C[NH2+]CCCNC(=O)C2CCC2)cc(Br)c1O ZINC000297720740 563333688 /nfs/dbraw/zinc/33/36/88/563333688.db2.gz RUMDLFMLXPXMIB-UHFFFAOYSA-N 1 0 385.302 2.949 20 0 GFADRO CCOc1cc(C[NH2+]C[C@H](CO)[C@H]2CCOC2)cc(Br)c1OC ZINC000280399197 563335493 /nfs/dbraw/zinc/33/54/93/563335493.db2.gz XPMLYAXXGANUOG-UONOGXRCSA-N 1 0 388.302 2.591 20 0 GFADRO Cc1cc(NC(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)cc(F)c1Br ZINC000297858807 563338335 /nfs/dbraw/zinc/33/83/35/563338335.db2.gz LTAGOZPOGJJVKG-KBPBESRZSA-N 1 0 398.276 2.578 20 0 GFADRO CC[NH+]1CCC(NC(=O)N(C)C[C@@H](O)c2ccccc2Br)CC1 ZINC000297968850 563340949 /nfs/dbraw/zinc/34/09/49/563340949.db2.gz XEWUSDOCWBZEAP-MRXNPFEDSA-N 1 0 384.318 2.608 20 0 GFADRO CC[NH+]1CCC(NC(=O)N(C)C[C@H](O)c2ccccc2Br)CC1 ZINC000297968848 563341026 /nfs/dbraw/zinc/34/10/26/563341026.db2.gz XEWUSDOCWBZEAP-INIZCTEOSA-N 1 0 384.318 2.608 20 0 GFADRO COc1ccc(S(=O)(=O)N2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)c(Cl)c1Cl ZINC000422553545 563342656 /nfs/dbraw/zinc/34/26/56/563342656.db2.gz KCZYAVSDMXEJQU-AXFHLTTASA-N 1 0 381.325 2.996 20 0 GFADRO O=S(=O)(c1ccc(Cl)c(Br)c1)N1CCC2(CC[NH2+]2)CC1 ZINC000422554372 563342705 /nfs/dbraw/zinc/34/27/05/563342705.db2.gz MCFSEGMLAVTWEQ-UHFFFAOYSA-N 1 0 379.707 2.619 20 0 GFADRO O=S(=O)(Cc1ccc(Cl)cc1Br)N1CCC2(CC[NH2+]2)CC1 ZINC000422558814 563343319 /nfs/dbraw/zinc/34/33/19/563343319.db2.gz ZTQJOFAMMHEKCH-UHFFFAOYSA-N 1 0 393.734 2.760 20 0 GFADRO COc1cc(I)ccc1NC(=O)NC(C)(C)CC[NH3+] ZINC000422566688 563343520 /nfs/dbraw/zinc/34/35/20/563343520.db2.gz SQXHFSZSIRFEDR-UHFFFAOYSA-N 1 0 377.226 2.549 20 0 GFADRO CC(C)(CC[NH3+])NC(=O)Nc1ccnn1Cc1ccc(Br)cc1 ZINC000422574325 563344079 /nfs/dbraw/zinc/34/40/79/563344079.db2.gz NHFGFOIGTHVKTP-UHFFFAOYSA-N 1 0 380.290 2.943 20 0 GFADRO COCCN(CC[NH+](C)C)C(=O)c1cc2sc(N3CCCC3)nc2s1 ZINC000280629123 563346666 /nfs/dbraw/zinc/34/66/66/563346666.db2.gz XCKOZJYULMVSLO-UHFFFAOYSA-N 1 0 382.555 2.608 20 0 GFADRO CC1CCC([NH+]2CCC(N(C)S(=O)(=O)c3c(Cl)cnn3C)CC2)CC1 ZINC000373791747 563351004 /nfs/dbraw/zinc/35/10/04/563351004.db2.gz TVDRQBZKMCXPCJ-UHFFFAOYSA-N 1 0 388.965 2.737 20 0 GFADRO O=S1(=O)CC[C@H]([NH2+]C2CCN(c3ccnc4ccc(Cl)cc43)CC2)C1 ZINC000373797062 563351249 /nfs/dbraw/zinc/35/12/49/563351249.db2.gz ZAKQHGSWNIWIEI-HNNXBMFYSA-N 1 0 379.913 2.634 20 0 GFADRO C[C@H]1C[N@H+](CCC(=O)Nc2cccc(Br)c2)C[C@@]2(CCOC2)O1 ZINC000373797949 563351809 /nfs/dbraw/zinc/35/18/09/563351809.db2.gz PZDKOULRCFLEBU-SUMWQHHRSA-N 1 0 383.286 2.658 20 0 GFADRO C[C@@H](C[C@@H]1COCCN1)[NH2+]CC1(c2cccc(Br)c2)CCOCC1 ZINC000422944534 563351825 /nfs/dbraw/zinc/35/18/25/563351825.db2.gz MLFRYUXSMHKCCH-MAUKXSAKSA-N 1 0 397.357 2.854 20 0 GFADRO CC[C@@H](NCc1ccc(Br)cc1N1CCOCC1)[C@@H]1CCC[NH2+]1 ZINC000422987037 563352714 /nfs/dbraw/zinc/35/27/14/563352714.db2.gz DYALVJVUGUWWHQ-SJORKVTESA-N 1 0 382.346 2.906 20 0 GFADRO C[C@@H](C[C@@H]1COCCN1)[NH2+]CCCOc1ncc(C(F)(F)F)cc1Cl ZINC000423015086 563353057 /nfs/dbraw/zinc/35/30/57/563353057.db2.gz QJYNSXCRTMHBPR-WCQYABFASA-N 1 0 381.826 2.879 20 0 GFADRO COC(C)(C)C[C@@H](C)[NH2+][C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000280768338 563353098 /nfs/dbraw/zinc/35/30/98/563353098.db2.gz REQPNJWYNPUMRP-MNOVXSKESA-N 1 0 393.347 2.951 20 0 GFADRO CNC(=O)OC[C@H]1CCCC[N@@H+]1CCC(=O)Nc1ccccc1Br ZINC000298407041 563353657 /nfs/dbraw/zinc/35/36/57/563353657.db2.gz FJDDBRIFFUOMFO-CYBMUJFWSA-N 1 0 398.301 2.988 20 0 GFADRO C[NH2+]C[C@H]1CCN(C(=O)C(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000423093099 563354695 /nfs/dbraw/zinc/35/46/95/563354695.db2.gz FTWAZKKGHUIVRL-WBMJQRKESA-N 1 0 384.307 2.725 20 0 GFADRO CC(C)[C@@H](CNC(=O)COc1c(Cl)cccc1Cl)[NH+]1CCN(C)CC1 ZINC000298450691 563355989 /nfs/dbraw/zinc/35/59/89/563355989.db2.gz JSAOUFCBCMAVLH-MRXNPFEDSA-N 1 0 388.339 2.760 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)[C@H](C(C)C)[C@H](C)[NH3+] ZINC000423115928 563356343 /nfs/dbraw/zinc/35/63/43/563356343.db2.gz ZBFJSZHSYJDWJY-BLLLJJGKSA-N 1 0 384.318 2.822 20 0 GFADRO C[C@@H]([NH2+]C[C@@H](CO)Cc1cc(Br)ccc1F)c1cnccc1N ZINC000423156085 563356695 /nfs/dbraw/zinc/35/66/95/563356695.db2.gz MBACUEDMAPNBKK-NEPJUHHUSA-N 1 0 382.277 2.898 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)[C@H](C(C)C)[C@H](C)[NH3+] ZINC000423130883 563356905 /nfs/dbraw/zinc/35/69/05/563356905.db2.gz SJXOFINHZGAVKB-BLLLJJGKSA-N 1 0 384.318 2.822 20 0 GFADRO Cc1cc(Br)oc1C(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000373955409 563356955 /nfs/dbraw/zinc/35/69/55/563356955.db2.gz VNDRQWVPYPGYEQ-CQSZACIVSA-N 1 0 384.318 2.593 20 0 GFADRO [NH3+][C@H](C(=O)N1CCC(C(=O)Nc2ccc(Br)cc2)CC1)C1CCC1 ZINC000423135438 563357103 /nfs/dbraw/zinc/35/71/03/563357103.db2.gz YBYBZRDOXRKIMC-INIZCTEOSA-N 1 0 394.313 2.754 20 0 GFADRO C[C@@H]([NH2+]C[C@@H](CO)Cc1ccc(F)c(Br)c1)c1cnccc1N ZINC000423156084 563357134 /nfs/dbraw/zinc/35/71/34/563357134.db2.gz LZXMQYMSUJFAGW-YPMHNXCESA-N 1 0 382.277 2.898 20 0 GFADRO CCOC(=O)[C@@H]1NCC[C@H]1[NH2+]CC1(c2ccccc2Br)CCC1 ZINC000423138325 563357212 /nfs/dbraw/zinc/35/72/12/563357212.db2.gz XTBHJUKZYPXMLB-HZPDHXFCSA-N 1 0 381.314 2.754 20 0 GFADRO CN(Cc1cccs1)C(=O)C[NH2+][C@@](C)(CO)c1ccc(Br)cc1 ZINC000298504833 563357301 /nfs/dbraw/zinc/35/73/01/563357301.db2.gz KHSSMDSXPQKLMD-KRWDZBQOSA-N 1 0 397.338 2.966 20 0 GFADRO C[NH2+][C@@H]1CCCN(C(=O)C(=O)N(Cc2ccc(Cl)c(Cl)c2)C(C)C)C1 ZINC000423157888 563357723 /nfs/dbraw/zinc/35/77/23/563357723.db2.gz BVFPKAUHNDZENF-CQSZACIVSA-N 1 0 386.323 2.941 20 0 GFADRO CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)N1CCC([C@@H](C)[NH3+])CC1 ZINC000423191970 563358600 /nfs/dbraw/zinc/35/86/00/563358600.db2.gz UIIXEOYJBLVQMU-GFCCVEGCSA-N 1 0 386.323 2.928 20 0 GFADRO CC(C)[C@@H](C(=O)NCCC(=O)N(C)Cc1ccccc1Br)[C@H](C)[NH3+] ZINC000423175202 563358652 /nfs/dbraw/zinc/35/86/52/563358652.db2.gz DJHAJLZFCWXIKG-SUMWQHHRSA-N 1 0 398.345 2.533 20 0 GFADRO CC[C@H]([NH2+]CCCn1ccnc1C)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000280878281 563358888 /nfs/dbraw/zinc/35/88/88/563358888.db2.gz OFBGMWNYTJKUOQ-INIZCTEOSA-N 1 0 384.933 2.884 20 0 GFADRO CC(C)Oc1cc(Br)cc(NC(=O)c2cn(CCCC[NH3+])nn2)c1 ZINC000423274680 563359177 /nfs/dbraw/zinc/35/91/77/563359177.db2.gz KSRJQWWKVRTIMV-UHFFFAOYSA-N 1 0 396.289 2.819 20 0 GFADRO Cn1cc(NC(=O)C(C)(C)[C@@H]([NH3+])c2ccccc2)cc(Br)c1=O ZINC000423283944 563359506 /nfs/dbraw/zinc/35/95/06/563359506.db2.gz GAXILXADUNXTIP-AWEZNQCLSA-N 1 0 378.270 2.813 20 0 GFADRO C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CCC(c3ccc(Cl)cc3Cl)CC2)C1 ZINC000423619003 563362611 /nfs/dbraw/zinc/36/26/11/563362611.db2.gz ZRGMFQXPSDVDQU-CQSZACIVSA-N 1 0 384.307 2.520 20 0 GFADRO COCCC[NH+]1CCC(NC(=O)N[C@@H](C)c2ccc(Br)cn2)CC1 ZINC000281009951 563363562 /nfs/dbraw/zinc/36/35/62/563363562.db2.gz WPGUYUJGMDHTCA-ZDUSSCGKSA-N 1 0 399.333 2.705 20 0 GFADRO O=C(COC1CC[NH2+]CC1)N1CCC(c2ccccc2Br)CC1 ZINC000423838204 563363598 /nfs/dbraw/zinc/36/35/98/563363598.db2.gz BOBSJCQFNPLDLM-UHFFFAOYSA-N 1 0 381.314 2.924 20 0 GFADRO O=C(NC1CCC(N2CC[NH2+]CC2)CC1)c1ccc(Br)c(F)c1 ZINC000423944452 563365088 /nfs/dbraw/zinc/36/50/88/563365088.db2.gz FLXKSEBGXDGZGQ-UHFFFAOYSA-N 1 0 384.293 2.534 20 0 GFADRO CCCCC(=O)N1CSC[C@@H]1C(=O)Nc1nc(C2CC[NH2+]CC2)cs1 ZINC000423978621 563366384 /nfs/dbraw/zinc/36/63/84/563366384.db2.gz MSXRCNBGFUGXFL-CQSZACIVSA-N 1 0 382.555 2.640 20 0 GFADRO CC(C)(C)[NH+]1CCC(NC(=O)CN2C(=S)N=NC2c2cccs2)CC1 ZINC000298778719 563366455 /nfs/dbraw/zinc/36/64/55/563366455.db2.gz LCJVIRCVUNKXAL-UHFFFAOYSA-N 1 0 379.555 2.674 20 0 GFADRO C[NH2+]CCCN(C)C(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000424032867 563367814 /nfs/dbraw/zinc/36/78/14/563367814.db2.gz MGPXZLBMNNQLDB-CQSZACIVSA-N 1 0 386.323 2.914 20 0 GFADRO O=S(=O)(c1c[nH]c2ncccc12)N1CCNC[C@H]1c1cccc(Cl)c1 ZINC000374336178 563367953 /nfs/dbraw/zinc/36/79/53/563367953.db2.gz CNNPGBOPCLLBCJ-HNNXBMFYSA-N 1 0 376.869 2.552 20 0 GFADRO O=S(=O)(C1CCN(Cc2ncc(Cl)cc2Cl)CC1)N1CCCC1 ZINC000374329552 563368290 /nfs/dbraw/zinc/36/82/90/563368290.db2.gz KHDFSSFZJCRWEU-UHFFFAOYSA-N 1 0 378.325 2.778 20 0 GFADRO O=C(c1ccc(Cl)c(I)c1)N1CCC2(CC[NH2+]2)CC1 ZINC000424051908 563368455 /nfs/dbraw/zinc/36/84/55/563368455.db2.gz LHBGBLNLSOEQCP-UHFFFAOYSA-N 1 0 390.652 2.913 20 0 GFADRO C[C@H]([NH2+]C[C@H]1CCSC1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000281167336 563368524 /nfs/dbraw/zinc/36/85/24/563368524.db2.gz QJQRHRZIWLKYFW-VHSXEESVSA-N 1 0 379.345 2.500 20 0 GFADRO C[C@@H]([NH2+]C[C@H]1CCSC1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000281167330 563368584 /nfs/dbraw/zinc/36/85/84/563368584.db2.gz QJQRHRZIWLKYFW-NXEZZACHSA-N 1 0 379.345 2.500 20 0 GFADRO COC(=O)c1cnc([C@@H](C)NC(=O)NC[C@@H](c2cccs2)[NH+](C)C)s1 ZINC000424056955 563368630 /nfs/dbraw/zinc/36/86/30/563368630.db2.gz AOXWYQANOCCNFP-MNOVXSKESA-N 1 0 382.511 2.654 20 0 GFADRO O=C(c1cc(Cl)ccc1I)N1CCC2(CC[NH2+]2)CC1 ZINC000424059934 563368673 /nfs/dbraw/zinc/36/86/73/563368673.db2.gz WLNCKDFCFGIIQL-UHFFFAOYSA-N 1 0 390.652 2.913 20 0 GFADRO [NH3+][C@@H]1Cc2ccccc2N(C(=O)c2cc(Br)c3c(c2)OCCO3)C1 ZINC000424074984 563369388 /nfs/dbraw/zinc/36/93/88/563369388.db2.gz LENOGZYAUAANNQ-CYBMUJFWSA-N 1 0 389.249 2.751 20 0 GFADRO CCn1cc(C(=O)N2C[C@H](SC)[C@@H]([NH+]3CCCC3)C2)c(C(F)(F)F)n1 ZINC000281289742 563372078 /nfs/dbraw/zinc/37/20/78/563372078.db2.gz MQQFAFDBCMADEE-STQMWFEESA-N 1 0 376.448 2.574 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2Cc1cc2c(c(Br)c1)OCO2 ZINC000374430464 563372058 /nfs/dbraw/zinc/37/20/58/563372058.db2.gz SLBVLZFGGDLORQ-FVQBIDKESA-N 1 0 397.313 2.861 20 0 GFADRO O=C(c1n[nH]c2ccc(Br)cc21)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000374435156 563372738 /nfs/dbraw/zinc/37/27/38/563372738.db2.gz DWLXXLZQVCVZEX-AWEZNQCLSA-N 1 0 377.286 2.930 20 0 GFADRO CCCS(=O)(=O)Nc1cc(Br)ccc1N(C)CC[NH+](C)C ZINC000424225472 563374540 /nfs/dbraw/zinc/37/45/40/563374540.db2.gz VFXSKOUYPCVCIE-UHFFFAOYSA-N 1 0 378.336 2.599 20 0 GFADRO COC(=O)CC1CC([NH2+]C[C@@H](CO)Cc2ccc(F)c(Br)c2)C1 ZINC000424335296 563375814 /nfs/dbraw/zinc/37/58/14/563375814.db2.gz PEBCILFNNKYLHZ-MOKVOYLWSA-N 1 0 388.277 2.671 20 0 GFADRO C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]C[C@@H]1CCN(C)C(=O)C1 ZINC000424332230 563376053 /nfs/dbraw/zinc/37/60/53/563376053.db2.gz UVOBBYQPVCYZLX-QWHCGFSZSA-N 1 0 382.302 2.624 20 0 GFADRO CN(CCC[NH+]1CCCC1)C(=O)Nc1cccc(S(=O)(=O)C(F)F)c1 ZINC000281435958 563376977 /nfs/dbraw/zinc/37/69/77/563376977.db2.gz RKDADEOQLKOTDE-UHFFFAOYSA-N 1 0 375.441 2.633 20 0 GFADRO COc1cc2[nH+]ccc(N3CC[C@@](C)([NH2+]CC(=O)[O-])C3)c2cc1Br ZINC000424381798 563377283 /nfs/dbraw/zinc/37/72/83/563377283.db2.gz ZPROXBAALVNJRD-QGZVFWFLSA-N 1 0 394.269 2.649 20 0 GFADRO Cc1c(Br)cccc1S(=O)(=O)N1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424390395 563377974 /nfs/dbraw/zinc/37/79/74/563377974.db2.gz KIVMCXYDXWDLEQ-LBPRGKRZSA-N 1 0 387.343 2.910 20 0 GFADRO [NH3+][C@@H]1CCCC[C@H]1NC(=O)N[C@@H]1CCN(c2ccccc2Br)C1 ZINC000424468607 563379359 /nfs/dbraw/zinc/37/93/59/563379359.db2.gz YIJUDLJGFQKBOO-BPLDGKMQSA-N 1 0 381.318 2.597 20 0 GFADRO COCC[N@@H+]1CCCN(C(=O)c2cc3cc(Br)ccc3o2)CC1 ZINC000299254874 563379374 /nfs/dbraw/zinc/37/93/74/563379374.db2.gz UVUPPFFCSANWIX-UHFFFAOYSA-N 1 0 381.270 2.990 20 0 GFADRO CS(=O)(=O)N1CC[C@H](C[N@@H+]2CCC[C@H](COc3ccccc3Cl)C2)C1 ZINC000374868718 563384544 /nfs/dbraw/zinc/38/45/44/563384544.db2.gz NCFISJRUJBHHBN-CVEARBPZSA-N 1 0 386.945 2.712 20 0 GFADRO CC(C)[N@@H+]1CCc2nc(CN3CCN(C4=NC[C@H](C)S4)CC3)sc2C1 ZINC000374957684 563386600 /nfs/dbraw/zinc/38/66/00/563386600.db2.gz XMRHPNGNDUGSGA-AWEZNQCLSA-N 1 0 379.599 2.519 20 0 GFADRO COc1c(Br)ccc(C)c1C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000424704184 563388058 /nfs/dbraw/zinc/38/80/58/563388058.db2.gz LROMJQSONBBJMQ-INIZCTEOSA-N 1 0 387.343 2.933 20 0 GFADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1cc(Cl)cc(F)c1Br ZINC000375046277 563388695 /nfs/dbraw/zinc/38/86/95/563388695.db2.gz IRUGFJDFJADWGQ-QWRGUYRKSA-N 1 0 391.668 2.835 20 0 GFADRO COc1ncc(C(=O)NC[C@H]2CCC[N@H+](CC(C)C)C2)cc1Br ZINC000424738617 563389399 /nfs/dbraw/zinc/38/93/99/563389399.db2.gz PMXNAGCPYMPIMD-CYBMUJFWSA-N 1 0 384.318 2.951 20 0 GFADRO COc1c(Br)ccc(C)c1C(=O)N1C[C@@H](SC)[C@H]([NH+](C)C)C1 ZINC000424749978 563389953 /nfs/dbraw/zinc/38/99/53/563389953.db2.gz KIFFFLGZMYSOSJ-CHWSQXEVSA-N 1 0 387.343 2.884 20 0 GFADRO O=S(=O)(NCc1cnc2n1CCCC2)c1ccc(F)cc1Br ZINC000375102403 563390332 /nfs/dbraw/zinc/39/03/32/563390332.db2.gz AXDYXEXZMGZWJD-UHFFFAOYSA-N 1 0 388.262 2.600 20 0 GFADRO O=C(NC1(c2cccc(Br)c2)CCC1)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O ZINC000375112668 563391136 /nfs/dbraw/zinc/39/11/36/563391136.db2.gz WDFDMUCHZVVBGD-AGUYFDCRSA-N 1 0 391.309 2.759 20 0 GFADRO CC1CC[NH+](Cc2ccccc2CNc2ncc(S(N)(=O)=O)s2)CC1 ZINC000301138335 563393855 /nfs/dbraw/zinc/39/38/55/563393855.db2.gz FHGCIHLUIDBDFB-UHFFFAOYSA-N 1 0 380.539 2.635 20 0 GFADRO COc1ncc(C(=O)N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)cc1Br ZINC000424830747 563394033 /nfs/dbraw/zinc/39/40/33/563394033.db2.gz LQLROZVVZNPDLW-GFCCVEGCSA-N 1 0 382.302 2.799 20 0 GFADRO COc1ccc(Br)c(S(=O)(=O)N2CCC[C@@H]2c2ncc[nH]2)c1 ZINC000375198695 563394848 /nfs/dbraw/zinc/39/48/48/563394848.db2.gz XYFMOTSQXWWYRU-GFCCVEGCSA-N 1 0 386.271 2.707 20 0 GFADRO [NH3+][C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCN(c2cc(Cl)ccc2Cl)C1=O ZINC000375252417 563397631 /nfs/dbraw/zinc/39/76/31/563397631.db2.gz HWABLHNIZANWFQ-FQUUOJAGSA-N 1 0 382.291 2.827 20 0 GFADRO COCCOCCOCCC[NH2+]Cc1c(F)ccc(Br)c1F ZINC000282126961 563398761 /nfs/dbraw/zinc/39/87/61/563398761.db2.gz VESKEMDTFDRSKG-UHFFFAOYSA-N 1 0 382.245 2.887 20 0 GFADRO COc1cc(Br)c(C(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)cc1OC ZINC000425062321 563403043 /nfs/dbraw/zinc/40/30/43/563403043.db2.gz CXLSDPCSTDCRSC-SMDDNHRTSA-N 1 0 383.286 2.633 20 0 GFADRO C[C@H](CCNc1cnn(C)c(=O)c1Br)[N@H+](C)Cc1ccccc1 ZINC000301486969 563405256 /nfs/dbraw/zinc/40/52/56/563405256.db2.gz YFJUPUFATHIGEP-CYBMUJFWSA-N 1 0 379.302 2.865 20 0 GFADRO C[N@@H+]1CCN(CCNC(=O)Nc2cc(F)ccc2Br)CC1(C)C ZINC000282414861 563410452 /nfs/dbraw/zinc/41/04/52/563410452.db2.gz XZPOGKFGQMCKKB-UHFFFAOYSA-N 1 0 387.297 2.736 20 0 GFADRO COc1ccc(CN2CCC[C@@H](C[NH+]3CCOCC3)C2)c(Br)c1O ZINC000282433928 563411103 /nfs/dbraw/zinc/41/11/03/563411103.db2.gz FMDOVKHMKXWREH-AWEZNQCLSA-N 1 0 399.329 2.708 20 0 GFADRO Nc1nc(NC[C@@H](O)COc2ccccc2Br)nc2ccccc12 ZINC000301888590 563414774 /nfs/dbraw/zinc/41/47/74/563414774.db2.gz LAJOIOIGMRLHOZ-LLVKDONJSA-N 1 0 389.253 2.826 20 0 GFADRO COc1cc2[nH+]ccc(NC[C@@H]3CCOC[C@@H]3OC)c2cc1Br ZINC000425256521 563415003 /nfs/dbraw/zinc/41/50/03/563415003.db2.gz BQBASWGHGKFUBR-GTNSWQLSSA-N 1 0 381.270 2.891 20 0 GFADRO COc1ccc(CNc2cc(-n3cccn3)nc(N)[nH+]2)cc1Br ZINC000301980734 563417331 /nfs/dbraw/zinc/41/73/31/563417331.db2.gz PQSRATFRKFNCKF-UHFFFAOYSA-N 1 0 375.230 2.628 20 0 GFADRO O=C1CC[C@H](CC[NH2+]C2CCN(Cc3ccccc3Br)CC2)N1 ZINC000375767230 563417844 /nfs/dbraw/zinc/41/78/44/563417844.db2.gz BVIDCSXFLYJGFL-MRXNPFEDSA-N 1 0 380.330 2.672 20 0 GFADRO C[C@@H](CNc1ccc(S(N)(=O)=O)cc1C(F)(F)F)C[NH+]1CCCCC1 ZINC000301996561 563418280 /nfs/dbraw/zinc/41/82/80/563418280.db2.gz TXFINBPEYPJTDU-LBPRGKRZSA-N 1 0 379.448 2.887 20 0 GFADRO COC(=O)[C@@H]1C[N@H+](CC2=CCCOC2)C[C@H]1c1ccc(Br)cc1 ZINC000425346033 563418633 /nfs/dbraw/zinc/41/86/33/563418633.db2.gz IUEKWIISUDQBHH-DLBZAZTESA-N 1 0 380.282 2.984 20 0 GFADRO O[C@H]1[C@H](C[NH2+]Cc2cnc3ccc(Br)cn23)CCC12CCOCC2 ZINC000282649451 563419415 /nfs/dbraw/zinc/41/94/15/563419415.db2.gz HRSRQBLOENMGPL-GUYCJALGSA-N 1 0 394.313 2.754 20 0 GFADRO CC[C@H]1CN(c2ccnc3cc(Br)cnc32)CC[N@@H+]1C[C@H](C)O ZINC000302080274 563419988 /nfs/dbraw/zinc/41/99/88/563419988.db2.gz BPOTZEQPXXKNDZ-JSGCOSHPSA-N 1 0 379.302 2.674 20 0 GFADRO CO[C@H](C[N@H+](CCNC(C)=O)Cc1ccc(Br)s1)C1CC1 ZINC000425450536 563423209 /nfs/dbraw/zinc/42/32/09/563423209.db2.gz YMPLPQQONZSYON-CQSZACIVSA-N 1 0 375.332 2.874 20 0 GFADRO COCC(C)(C)[NH+]1CCN(C(=O)NCCc2ccc(Br)cc2)CC1 ZINC000425458004 563423924 /nfs/dbraw/zinc/42/39/24/563423924.db2.gz ZWCGOXNXPYSSQN-UHFFFAOYSA-N 1 0 398.345 2.744 20 0 GFADRO CCOC(=O)CC[N@@H+]1C[C@H](C(=O)OC)[C@@H](c2ccc(Br)cc2)C1 ZINC000425507635 563425385 /nfs/dbraw/zinc/42/53/85/563425385.db2.gz HIBKDOYPCCGSLI-CABCVRRESA-N 1 0 384.270 2.591 20 0 GFADRO COCC(C)(C)[NH+]1CCN(C(=O)NCc2ccsc2Br)CC1 ZINC000425525892 563426567 /nfs/dbraw/zinc/42/65/67/563426567.db2.gz HMRAOAKBKAEKNE-UHFFFAOYSA-N 1 0 390.347 2.763 20 0 GFADRO CC[N@H+](CCc1ccc(C(F)(F)F)cc1)C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000425552379 563427302 /nfs/dbraw/zinc/42/73/02/563427302.db2.gz QGLLHYHHRQVQKW-OAHLLOKOSA-N 1 0 378.460 2.851 20 0 GFADRO O=C(COc1c(Cl)cccc1Cl)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000282921709 563429683 /nfs/dbraw/zinc/42/96/83/563429683.db2.gz ZIQMWLWBYYTOFD-CQSZACIVSA-N 1 0 387.307 2.943 20 0 GFADRO C[NH+](C)CCn1ccc(NC(=O)C2(c3ccc(Br)cc3)CC2)n1 ZINC000303023783 563432124 /nfs/dbraw/zinc/43/21/24/563432124.db2.gz NOTCCOAGGVWIDS-UHFFFAOYSA-N 1 0 377.286 2.878 20 0 GFADRO Cn1ncc(Br)c1CN[C@H]1CCN(C(=O)Nc2ccccc2)C1 ZINC000282996702 563432523 /nfs/dbraw/zinc/43/25/23/563432523.db2.gz NLPSVPMOYFNGPT-ZDUSSCGKSA-N 1 0 378.274 2.579 20 0 GFADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)Nc1cc(Cl)ccc1OC(F)F ZINC000425692877 563432681 /nfs/dbraw/zinc/43/26/81/563432681.db2.gz QSTYDWOIAIBRGY-NSHDSACASA-N 1 0 376.835 2.699 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)Nc1ccn(CCC(F)(F)F)n1)c1ccsc1 ZINC000425752910 563435672 /nfs/dbraw/zinc/43/56/72/563435672.db2.gz BJWXDGGKTYOYTB-LBPRGKRZSA-N 1 0 375.420 3.321 20 0 GFADRO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccc(Cl)s1)C1=CC[N@H+](C)CC1 ZINC000376283303 563436128 /nfs/dbraw/zinc/43/61/28/563436128.db2.gz UNIJHXOUIOIZLN-JSGCOSHPSA-N 1 0 381.929 2.773 20 0 GFADRO Cc1nc(CN2CCC[C@H]([NH2+][C@H](C)c3ncc(Br)cc3F)C2)no1 ZINC000376339173 563438682 /nfs/dbraw/zinc/43/86/82/563438682.db2.gz GUDWMLWOPJAOBP-MFKMUULPSA-N 1 0 398.280 2.990 20 0 GFADRO CSCCCCCNC(=O)C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000283299603 563441171 /nfs/dbraw/zinc/44/11/71/563441171.db2.gz DTVDHENGTOTMMS-HNNXBMFYSA-N 1 0 383.583 2.651 20 0 GFADRO C[NH+](C)C[C@@](C)(O)CNC(=O)N[C@H]1c2cc(Br)ccc2CC1(C)C ZINC000426038474 563442790 /nfs/dbraw/zinc/44/27/90/563442790.db2.gz ZDGCOGDVNXEQBF-YJBOKZPZSA-N 1 0 398.345 2.684 20 0 GFADRO CCN(CC[NH2+][C@H](C)c1cccc(S(=O)(=O)NC)c1)CCC(F)(F)F ZINC000426056638 563442854 /nfs/dbraw/zinc/44/28/54/563442854.db2.gz ZZRKPXJPDHKDSD-CYBMUJFWSA-N 1 0 381.464 2.520 20 0 GFADRO OC[C@@H]1CCC[N@@H+]1C[C@H]1CCCN1c1nc(C(Cl)(Cl)Cl)ns1 ZINC000376459542 563442962 /nfs/dbraw/zinc/44/29/62/563442962.db2.gz FWOOLFUYDAVOGP-ZJUUUORDSA-N 1 0 385.748 2.790 20 0 GFADRO C[C@@H]1CN(CC(=O)N2CCc3sccc3[C@@H]2c2cccs2)CC[C@H]1O ZINC000376499993 563443695 /nfs/dbraw/zinc/44/36/95/563443695.db2.gz IJVWGZDJORZGJW-ZXYWRSMDSA-N 1 0 376.547 2.986 20 0 GFADRO C[NH+](C)CC1CCN(C(=O)C(=O)Nc2cc(Cl)c(F)c(Cl)c2)CC1 ZINC000426169651 563445436 /nfs/dbraw/zinc/44/54/36/563445436.db2.gz GSQFIGOIVDSMDW-UHFFFAOYSA-N 1 0 376.259 2.871 20 0 GFADRO COCC(=O)N1CCC([NH2+]C2CC(c3ccc(Br)cc3)C2)CC1 ZINC000319764476 563445503 /nfs/dbraw/zinc/44/55/03/563445503.db2.gz WIXBKIMCVCIRNR-UHFFFAOYSA-N 1 0 381.314 2.922 20 0 GFADRO Cc1cc(C)c(S(N)(=O)=O)cc1[C@@H](C)[NH2+]CCc1nnc(C(C)C)s1 ZINC000426349212 563449529 /nfs/dbraw/zinc/44/95/29/563449529.db2.gz UAFKDVXTEYKHLC-CYBMUJFWSA-N 1 0 382.555 2.819 20 0 GFADRO O=C(c1[nH]nc(-c2ccccc2)c1Br)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000376649885 563449613 /nfs/dbraw/zinc/44/96/13/563449613.db2.gz ZRKUHDYNFKEVOX-YPMHNXCESA-N 1 0 375.270 2.663 20 0 GFADRO C[N@@H+]1CC[C@H](CNC(=O)c2cnc(C3OCCO3)s2)[C@H]1c1cccs1 ZINC000376678734 563450674 /nfs/dbraw/zinc/45/06/74/563450674.db2.gz ISNGORBVTQXFDC-RISCZKNCSA-N 1 0 379.507 2.673 20 0 GFADRO COc1cc(OC)c(C[NH2+]CCCn2cc(Br)cn2)c(OC)c1 ZINC000323418396 563450816 /nfs/dbraw/zinc/45/08/16/563450816.db2.gz RVROMFJZRTZDHL-UHFFFAOYSA-N 1 0 384.274 2.851 20 0 GFADRO [NH2+]=C(NCCCn1cc(Br)cn1)N[C@H]1CCOc2ccccc21 ZINC000376701105 563451412 /nfs/dbraw/zinc/45/14/12/563451412.db2.gz PQRHGFFIAUDDCH-AWEZNQCLSA-N 1 0 378.274 2.673 20 0 GFADRO CC(=O)NCCC[NH2+][C@H]1CCCOc2ccc(I)cc21 ZINC000376728897 563452127 /nfs/dbraw/zinc/45/21/27/563452127.db2.gz MTYUKGDUJUXHPP-AWEZNQCLSA-N 1 0 388.249 2.621 20 0 GFADRO O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CCC2(CC[NH2+]CC2)CC1 ZINC000327934130 563459903 /nfs/dbraw/zinc/45/99/03/563459903.db2.gz OJMJPMHGRWYSHI-UHFFFAOYSA-N 1 0 378.416 2.740 20 0 GFADRO C[N@H+](CC(=O)N1CCC[C@@H](c2nc(C(F)(F)F)c[nH]2)C1)[C@H]1CCSC1 ZINC000328598404 563461609 /nfs/dbraw/zinc/46/16/09/563461609.db2.gz BCGPFKHERVMBJT-NEPJUHHUSA-N 1 0 376.448 2.572 20 0 GFADRO CC(C)(COc1ccc(C(F)(F)F)cn1)[NH2+]C[C@@H]1CCCS(=O)(=O)C1 ZINC000284063193 563462912 /nfs/dbraw/zinc/46/29/12/563462912.db2.gz KHJWFFNAVGOCCD-LBPRGKRZSA-N 1 0 380.432 2.672 20 0 GFADRO CN1CC[C@H](NS(=O)(=O)c2cncc(F)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000328825938 563465995 /nfs/dbraw/zinc/46/59/95/563465995.db2.gz JDEVRCLGWLREQQ-HOTGVXAUSA-N 1 0 387.839 2.737 20 0 GFADRO CC(C)[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000328835408 563466343 /nfs/dbraw/zinc/46/63/43/563466343.db2.gz XCRFXJPBOKBEHD-DVOMOZLQSA-N 1 0 383.945 2.851 20 0 GFADRO O=C(NCCC[NH+]1CCC(O)CC1)c1cc(Cl)cc(F)c1Br ZINC000284241365 563468711 /nfs/dbraw/zinc/46/87/11/563468711.db2.gz FSNXHNNZFCYTHM-UHFFFAOYSA-N 1 0 393.684 2.818 20 0 GFADRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)CSCc1ccc(Br)cc1F ZINC000427597391 563470058 /nfs/dbraw/zinc/47/00/58/563470058.db2.gz UIVIRSCWQYZFBB-QMTHXVAHSA-N 1 0 375.307 2.936 20 0 GFADRO C[N@@H+]1CC[C@H]2[C@H](CCCN2S(=O)(=O)Cc2cccc(C(F)(F)F)c2)C1 ZINC000427793940 563475516 /nfs/dbraw/zinc/47/55/16/563475516.db2.gz QBLKNVRFZCCMJA-ZBFHGGJFSA-N 1 0 376.444 2.951 20 0 GFADRO Cc1cnc(C(=O)NCCc2cn3cc(Br)cc(C)c3n2)c(O)c1 ZINC000427920794 563478281 /nfs/dbraw/zinc/47/82/81/563478281.db2.gz DXPZUKCUTUBICO-UHFFFAOYSA-N 1 0 389.253 2.787 20 0 GFADRO Cc1nc(-c2ccc(Cl)s2)sc1C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000377532005 563478600 /nfs/dbraw/zinc/47/86/00/563478600.db2.gz ZXLSENAYOKXMJJ-GFCCVEGCSA-N 1 0 396.969 2.953 20 0 GFADRO O=S(=O)(c1cc(Cl)ccc1OCC1CCC1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000427960382 563478994 /nfs/dbraw/zinc/47/89/94/563478994.db2.gz UNTBFUIMODTFOU-ZBFHGGJFSA-N 1 0 384.929 2.891 20 0 GFADRO COc1c(Br)cccc1CN1CCC[C@@H](C[NH+]2CCN(C)CC2)C1 ZINC000377633897 563481629 /nfs/dbraw/zinc/48/16/29/563481629.db2.gz YLTMJCVHIRMPQA-INIZCTEOSA-N 1 0 396.373 2.917 20 0 GFADRO Ic1cnc(CN2CC[C@H](C[NH+]3CCCC3)C2)s1 ZINC000377700766 563482950 /nfs/dbraw/zinc/48/29/50/563482950.db2.gz RXPFMHOIDQBROW-LLVKDONJSA-N 1 0 377.295 2.665 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)c1n[nH]c2ccc(I)cc21 ZINC000428126714 563483375 /nfs/dbraw/zinc/48/33/75/563483375.db2.gz UNTUEBPNPHKYDC-RNCFNFMXSA-N 1 0 398.248 2.509 20 0 GFADRO CC(C)[N@@H+]1CCCN([C@@H]2CCN(c3cccc(Br)c3)C2=O)CC1 ZINC000428231338 563485943 /nfs/dbraw/zinc/48/59/43/563485943.db2.gz KEQCLGJXLNFSPS-QGZVFWFLSA-N 1 0 380.330 2.971 20 0 GFADRO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]C1CCN(c2ccccn2)CC1 ZINC000428248482 563485970 /nfs/dbraw/zinc/48/59/70/563485970.db2.gz LTFHFLWFUIWIRS-AWEZNQCLSA-N 1 0 391.313 2.653 20 0 GFADRO Fc1ccc(I)c(F)c1C[NH2+][C@@H]1CCc2nc[nH]c2C1 ZINC000377788546 563486492 /nfs/dbraw/zinc/48/64/92/563486492.db2.gz XFKWSFUCNDTDRI-MRVPVSSYSA-N 1 0 389.187 2.940 20 0 GFADRO CSc1ccc(C[NH2+]C2CCN(S(=O)(=O)C3CCOCC3)CC2)s1 ZINC000329795373 563488181 /nfs/dbraw/zinc/48/81/81/563488181.db2.gz WJHYLNPSIUCWMF-UHFFFAOYSA-N 1 0 390.596 2.533 20 0 GFADRO C[N@@H+]1CC[C@@H]2CCN(S(=O)(=O)c3ccc(Cl)c(Br)c3)[C@@H]2C1 ZINC000428426321 563492241 /nfs/dbraw/zinc/49/22/41/563492241.db2.gz XPVZMSIGEURXIX-QMTHXVAHSA-N 1 0 393.734 2.817 20 0 GFADRO COc1ccc2c(c1)OC[C@@H]([NH2+][C@H](C)Cn1cc(Br)ccc1=O)C2 ZINC000428463206 563493378 /nfs/dbraw/zinc/49/33/78/563493378.db2.gz PBZSSUNLPXZSLE-DOMZBBRYSA-N 1 0 393.281 2.601 20 0 GFADRO C[C@H]1C[C@H](N(C)C(=O)C(=O)NCCc2c(Cl)cccc2Cl)CC[N@@H+]1C ZINC000284901335 563493981 /nfs/dbraw/zinc/49/39/81/563493981.db2.gz HOHZCJLIBDGCER-QWHCGFSZSA-N 1 0 386.323 2.593 20 0 GFADRO Cn1ccnc1Sc1ncc(C(=O)NC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1Cl ZINC000428613134 563497396 /nfs/dbraw/zinc/49/73/96/563497396.db2.gz BKOLYORPGPPFLY-FUNVUKJBSA-N 1 0 377.901 2.633 20 0 GFADRO COc1ccc(Br)c(C(=O)N2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)c1 ZINC000378226669 563498764 /nfs/dbraw/zinc/49/87/64/563498764.db2.gz VWNJLAVJUOTCHE-AFAVFJNCSA-N 1 0 397.313 2.781 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000330212383 563499139 /nfs/dbraw/zinc/49/91/39/563499139.db2.gz KBKJYRANAWJONE-INIZCTEOSA-N 1 0 394.313 2.781 20 0 GFADRO O=C(NC1CC[NH+](CC2CC2)CC1)c1cn2ccc(Br)cc2n1 ZINC000285027068 563499389 /nfs/dbraw/zinc/49/93/89/563499389.db2.gz ISRWPPZCJMOJJY-UHFFFAOYSA-N 1 0 377.286 2.701 20 0 GFADRO CC[N@@H+]1CC[C@@H](CNC(=O)Nc2ccc(F)cc2I)C1 ZINC000428765411 563501154 /nfs/dbraw/zinc/50/11/54/563501154.db2.gz JZBXJWSHGYSASR-JTQLQIEISA-N 1 0 391.228 2.894 20 0 GFADRO Cc1c(Br)cccc1C(=O)N1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000378375224 563504304 /nfs/dbraw/zinc/50/43/04/563504304.db2.gz ZVBPYGHKEQRYQR-CQSZACIVSA-N 1 0 394.357 2.998 20 0 GFADRO CC(C)[C@@H](NC(=O)c1ccccc1Br)C(=O)NC1CCC([NH3+])CC1 ZINC000428955570 563504765 /nfs/dbraw/zinc/50/47/65/563504765.db2.gz VUOTYSMHFBJQPF-SEEARECTSA-N 1 0 396.329 2.590 20 0 GFADRO C[C@H](NC(=O)[C@@H]1CCN(c2cc(Cl)ccc2Cl)C1=O)[C@H]1CCC[NH2+]C1 ZINC000428977868 563505725 /nfs/dbraw/zinc/50/57/25/563505725.db2.gz NYOZIUCRMWYTIY-OBJOEFQTSA-N 1 0 384.307 2.851 20 0 GFADRO C[C@H](NC(=O)c1cc(=O)[nH]c2ccc(Br)cc21)[C@@H]1CCC[NH2+]C1 ZINC000429008479 563507141 /nfs/dbraw/zinc/50/71/41/563507141.db2.gz NNAXZRANPSYPJQ-WDEREUQCSA-N 1 0 378.270 2.821 20 0 GFADRO Cc1nn2c(C[NH2+][C@H]3CCC(=O)N(C)[C@H]3c3cccs3)c(C)nc2s1 ZINC000378448659 563507627 /nfs/dbraw/zinc/50/76/27/563507627.db2.gz DEGBFKWAZTYGOW-BLLLJJGKSA-N 1 0 375.523 2.921 20 0 GFADRO C[C@H]([NH2+]C[C@H]1CCC[C@]12NC(=O)N(C)C2=O)c1cc(Br)ccc1F ZINC000378470037 563508354 /nfs/dbraw/zinc/50/83/54/563508354.db2.gz AJCLAGWCZBXBLD-RVPKQNPDSA-N 1 0 398.276 2.959 20 0 GFADRO O=C([C@H]1COc2ccc(Br)cc21)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000378499360 563508996 /nfs/dbraw/zinc/50/89/96/563508996.db2.gz PWNRECUPFRWVQD-HOTGVXAUSA-N 1 0 379.298 2.916 20 0 GFADRO CN(C[C@@H]1CCC[N@H+](C[C@@H](O)c2ccc(Cl)cc2Cl)C1)S(C)(=O)=O ZINC000285222024 563509088 /nfs/dbraw/zinc/50/90/88/563509088.db2.gz ANUIUHHFUCKWLY-BLLLJJGKSA-N 1 0 395.352 2.630 20 0 GFADRO C[C@H]([NH2+][C@H]1CCCC[C@H]1NS(C)(=O)=O)c1ccccc1Br ZINC000330596790 563512464 /nfs/dbraw/zinc/51/24/64/563512464.db2.gz CMIDXQJPEZUNCZ-TUKIKUTGSA-N 1 0 375.332 2.960 20 0 GFADRO COC(=O)CN(C)C(=O)CC[NH2+][C@@H]1c2cc(Br)ccc2CC1(C)C ZINC000429272096 563512966 /nfs/dbraw/zinc/51/29/66/563512966.db2.gz CCZBLLMYMMXIJC-QGZVFWFLSA-N 1 0 397.313 2.684 20 0 GFADRO Cc1cc(C[NH2+][C@H]2CCCC[C@@H]2NS(C)(=O)=O)ccc1Br ZINC000330617447 563513999 /nfs/dbraw/zinc/51/39/99/563513999.db2.gz XBSSJOFGAIPVQD-GJZGRUSLSA-N 1 0 375.332 2.708 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCCC[C@H]1NS(C)(=O)=O)c1cccc(Br)c1 ZINC000330614524 563514189 /nfs/dbraw/zinc/51/41/89/563514189.db2.gz SWFBEIHCDLPNKR-NILFDRSVSA-N 1 0 375.332 2.960 20 0 GFADRO Cc1cc(COc2ccc(C(=O)N(C)[C@@H](C)C[NH3+])cc2Br)no1 ZINC000429322189 563514857 /nfs/dbraw/zinc/51/48/57/563514857.db2.gz IUWRPRSLPJDLFM-JTQLQIEISA-N 1 0 382.258 2.744 20 0 GFADRO CCN(CC)C(=O)C[C@H](C)[NH2+]C[C@@H](CO)Cc1ccccc1Br ZINC000429414058 563516247 /nfs/dbraw/zinc/51/62/47/563516247.db2.gz XEQCZGCFSNTSSV-GJZGRUSLSA-N 1 0 385.346 2.837 20 0 GFADRO C[C@@H](NC(=O)c1cc(Br)ccc1I)[C@H](C)[NH3+] ZINC000381591391 563516582 /nfs/dbraw/zinc/51/65/82/563516582.db2.gz LNBDLPUPKHWHHS-NKWVEPMBSA-N 1 0 397.054 2.519 20 0 GFADRO C[NH2+]C[C@H]1CCCN1C(=O)c1cc(I)ccc1Cl ZINC000429512337 563517827 /nfs/dbraw/zinc/51/78/27/563517827.db2.gz RXLWLQQUEBTCDV-SNVBAGLBSA-N 1 0 378.641 2.769 20 0 GFADRO C[C@@H]1CC[C@H]([N@H+](C)CC(=O)NCC(=O)Nc2ccccc2Br)C1 ZINC000429584663 563518957 /nfs/dbraw/zinc/51/89/57/563518957.db2.gz GAAPUENCVIMISV-OLZOCXBDSA-N 1 0 382.302 2.624 20 0 GFADRO C[N@H+](CCCNC(=O)C1CCC1)C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000429550934 563519192 /nfs/dbraw/zinc/51/91/92/563519192.db2.gz WSQTXGQQZAFVCK-CQSZACIVSA-N 1 0 389.323 2.971 20 0 GFADRO Cc1nn(-c2ccccn2)c(Cl)c1C[NH2+]CCn1cc(Br)cn1 ZINC000285424965 563520291 /nfs/dbraw/zinc/52/02/91/563520291.db2.gz GVRKGGUIMYTGMU-UHFFFAOYSA-N 1 0 395.692 2.978 20 0 GFADRO CCCC[C@@H](C[NH3+])NC(=O)CCNC(=O)Nc1ccc(Br)cc1 ZINC000429629774 563520630 /nfs/dbraw/zinc/52/06/30/563520630.db2.gz SYEPPRVBMHWNPR-AWEZNQCLSA-N 1 0 385.306 2.594 20 0 GFADRO O=C(Nc1ccc(COc2ccc(Br)cc2)cc1)[C@@H]1C[NH2+]CCO1 ZINC000429764162 563521873 /nfs/dbraw/zinc/52/18/73/563521873.db2.gz TWSWYZDSGTWOPF-KRWDZBQOSA-N 1 0 391.265 2.955 20 0 GFADRO COc1cc(C[NH2+]CC(C)(C)N2CCOCC2)cc(Br)c1OC ZINC000390474937 563522820 /nfs/dbraw/zinc/52/28/20/563522820.db2.gz CJNHQUFVLWKAET-UHFFFAOYSA-N 1 0 387.318 2.667 20 0 GFADRO O[C@@H](C[NH2+]CCOCc1ccccc1)COc1ccc(Br)cc1 ZINC000390243138 563522943 /nfs/dbraw/zinc/52/29/43/563522943.db2.gz PCBQUURIPMMHKE-KRWDZBQOSA-N 1 0 380.282 2.995 20 0 GFADRO Cc1cc(NC(=O)C(=O)N2CCC[C@H]([NH+](C)C)CC2)cc(C)c1Br ZINC000429838470 563525120 /nfs/dbraw/zinc/52/51/20/563525120.db2.gz HIEWMFKSEUYWKV-HNNXBMFYSA-N 1 0 396.329 2.947 20 0 GFADRO CCCOc1c(Br)cc(C[NH2+][C@@H]2CC(=O)N(CC)C2)cc1OC ZINC000391616192 563525327 /nfs/dbraw/zinc/52/53/27/563525327.db2.gz QEOOKDMJBJWWGH-CYBMUJFWSA-N 1 0 385.302 2.957 20 0 GFADRO COCC[N@H+](C)CCCNC(=O)N[C@@H](c1cncc(Br)c1)C1CC1 ZINC000285543530 563525874 /nfs/dbraw/zinc/52/58/74/563525874.db2.gz URWHWMJDUQNBHD-MRXNPFEDSA-N 1 0 399.333 2.563 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCC[C@@H]1CCO)C(=O)N(C)Cc1ccc(Br)cc1 ZINC000285593652 563528143 /nfs/dbraw/zinc/52/81/43/563528143.db2.gz BOKWPNHQCVROSD-YSVLISHTSA-N 1 0 383.330 2.937 20 0 GFADRO C[NH+](C)C[C@@H]1CCN(C(=O)c2cc(Br)cnc2OCC2CC2)C1 ZINC000285582397 563528230 /nfs/dbraw/zinc/52/82/30/563528230.db2.gz UDSLIJWWJTXYNV-ZDUSSCGKSA-N 1 0 382.302 2.657 20 0 GFADRO CC[N@@H+]1CCCN(C(=O)C(=O)Nc2cc(Cl)cc(C(F)(F)F)c2)CC1 ZINC000429923024 563528552 /nfs/dbraw/zinc/52/85/52/563528552.db2.gz LWHMFNCIDWAHNZ-UHFFFAOYSA-N 1 0 377.794 2.852 20 0 GFADRO C[C@H]1CCCC[N@@H+]1CCNC(=O)Nc1cc2ccc(Br)cn2n1 ZINC000429981684 563530674 /nfs/dbraw/zinc/53/06/74/563530674.db2.gz ITSSIRNKAUUQNU-LBPRGKRZSA-N 1 0 380.290 3.093 20 0 GFADRO COc1c(Cl)cc(Cl)cc1C[NH2+][C@@H]1CCCC[C@@H]1NS(C)(=O)=O ZINC000331015141 563531327 /nfs/dbraw/zinc/53/13/27/563531327.db2.gz PAVADOGPEIYCTP-KGLIPLIRSA-N 1 0 381.325 2.952 20 0 GFADRO CS(=O)(=O)N[C@@H]1CCC[C@H]1C[NH2+]Cc1cc(Cl)ccc1OCC1CC1 ZINC000430025497 563531854 /nfs/dbraw/zinc/53/18/54/563531854.db2.gz JIXIOSMNTVEQNT-WMLDXEAASA-N 1 0 386.945 2.936 20 0 GFADRO [NH3+]C[C@H](NC(=O)c1ccc(Br)cc1Br)C(F)(F)F ZINC000401672929 563535202 /nfs/dbraw/zinc/53/52/02/563535202.db2.gz MLJLONWXJQZZSQ-QMMMGPOBSA-N 1 0 389.997 2.831 20 0 GFADRO CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H](CO)Cc1cccc(Br)c1 ZINC000430156079 563536768 /nfs/dbraw/zinc/53/67/68/563536768.db2.gz LVSSCHIQHATYDJ-NVXWUHKLSA-N 1 0 383.330 2.591 20 0 GFADRO Cc1cc(S(=O)(=O)N2CCC[C@@H](C)[C@H]2CC[NH3+])sc1Br ZINC000405257948 563538798 /nfs/dbraw/zinc/53/87/98/563538798.db2.gz LTNPDHKJOCBQET-MWLCHTKSSA-N 1 0 381.361 2.957 20 0 GFADRO CO[C@]1(C[NH2+]Cc2cc(Cl)ccc2I)CCOC1 ZINC000405780198 563539737 /nfs/dbraw/zinc/53/97/37/563539737.db2.gz MDZJEVMVYYWDOG-ZDUSSCGKSA-N 1 0 381.641 2.840 20 0 GFADRO CNC(=O)[C@@]1(C)CC[N@H+](CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000430286513 563540301 /nfs/dbraw/zinc/54/03/01/563540301.db2.gz UOIANTQMTDJPCK-HNNXBMFYSA-N 1 0 377.794 2.755 20 0 GFADRO Cc1cc(Br)ccc1C[NH2+][C@H]1CCCC[C@@H]1NS(C)(=O)=O ZINC000331208549 563540779 /nfs/dbraw/zinc/54/07/79/563540779.db2.gz ZSCZBPJLSRXKLP-GJZGRUSLSA-N 1 0 375.332 2.708 20 0 GFADRO C[C@H]1C[C@H](N2CCOCC2)C[N@@H+]1CCC(=O)Nc1ccccc1Br ZINC000285921334 563542222 /nfs/dbraw/zinc/54/22/22/563542222.db2.gz LGXBWRHMHIYINH-GJZGRUSLSA-N 1 0 396.329 2.573 20 0 GFADRO CC1(C)CCC[NH2+][C@@H]1CNS(=O)(=O)c1cc(F)ccc1Br ZINC000430375005 563542337 /nfs/dbraw/zinc/54/23/37/563542337.db2.gz CAULUDURBUGSIF-CYBMUJFWSA-N 1 0 379.295 2.645 20 0 GFADRO C[C@@H](NC(=O)COC1C[NH2+]C1)c1nc(-c2ccc(Br)cc2)cs1 ZINC000430432056 563544051 /nfs/dbraw/zinc/54/40/51/563544051.db2.gz ZBQJAJAEISTLSE-SNVBAGLBSA-N 1 0 396.310 2.738 20 0 GFADRO COC(=O)C1CCN(C(=O)C[NH2+][C@@H](C)c2ccc(Br)s2)CC1 ZINC000331291311 563544321 /nfs/dbraw/zinc/54/43/21/563544321.db2.gz KMIAGGXDVMXILV-JTQLQIEISA-N 1 0 389.315 2.573 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCCN([C@@H](C)C(=O)N(C)Cc2ccc(Br)cc2)C1 ZINC000430559951 563544928 /nfs/dbraw/zinc/54/49/28/563544928.db2.gz UVAKNZFLNZNAGW-DZKIICNBSA-N 1 0 382.346 2.855 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCCN(Cc2csc(-c3ccc(S(C)(=O)=O)cc3)n2)C1 ZINC000430553131 563545391 /nfs/dbraw/zinc/54/53/91/563545391.db2.gz KUTBXZCRZYFELH-ZFWWWQNUSA-N 1 0 379.551 2.773 20 0 GFADRO O=S(=O)(c1ccc(Br)o1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000408213160 563547503 /nfs/dbraw/zinc/54/75/03/563547503.db2.gz DQFUZTVOZRDSRF-LBPRGKRZSA-N 1 0 377.304 2.681 20 0 GFADRO O=S(=O)(c1ccc(Br)o1)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000408215536 563548110 /nfs/dbraw/zinc/54/81/10/563548110.db2.gz SRDFTBQLXVTVAN-DGCLKSJQSA-N 1 0 389.315 2.680 20 0 GFADRO CC[NH+](CC)C[C@H]1CCCC[C@H]1NC(=O)Cn1cc(Br)ccc1=O ZINC000430825596 563549373 /nfs/dbraw/zinc/54/93/73/563549373.db2.gz YIJYJSFZPZPVLI-GDBMZVCRSA-N 1 0 398.345 2.628 20 0 GFADRO Cc1cc(F)c(Br)cc1NC(=O)N1CC[N@@H+](C[C@@H](C)O)C[C@H]1C ZINC000286161921 563550880 /nfs/dbraw/zinc/55/08/80/563550880.db2.gz LWGIKIBOYQYTJN-VXGBXAGGSA-N 1 0 388.281 2.815 20 0 GFADRO [NH3+]C[C@@H]1CCN(CC(=O)Nc2ccc(Br)c(C(F)(F)F)c2)C1 ZINC000430954053 563550906 /nfs/dbraw/zinc/55/09/06/563550906.db2.gz DGKOCCUCTWYAOA-VIFPVBQESA-N 1 0 380.208 2.687 20 0 GFADRO Cc1c(C(=O)N2CCCC[C@H]2CC[NH3+])nnn1-c1cccc(Br)c1 ZINC000286166846 563550936 /nfs/dbraw/zinc/55/09/36/563550936.db2.gz QRHYKRQQDQETOV-AWEZNQCLSA-N 1 0 392.301 2.682 20 0 GFADRO COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)NC(C)(C)CCC[NH3+] ZINC000431042981 563552084 /nfs/dbraw/zinc/55/20/84/563552084.db2.gz NIRDNHDGOWLNMR-GFCCVEGCSA-N 1 0 378.922 2.550 20 0 GFADRO CS(=O)(=O)c1ccc(NCCCC[NH+]2CCOCC2)c(C(F)(F)F)c1 ZINC000286206672 563552298 /nfs/dbraw/zinc/55/22/98/563552298.db2.gz GAWKSJHCMOWGEQ-UHFFFAOYSA-N 1 0 380.432 2.633 20 0 GFADRO CCS[C@@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1cc(-n2cnnn2)ccc1Cl ZINC000286250324 563553516 /nfs/dbraw/zinc/55/35/16/563553516.db2.gz SDAGOQUMOKVSDD-DZGCQCFKSA-N 1 0 380.905 2.518 20 0 GFADRO COC(=O)[C@]1(C(F)(F)F)CCN(C[C@@H](O)c2cccc(Br)c2)C1 ZINC000286284269 563554946 /nfs/dbraw/zinc/55/49/46/563554946.db2.gz BUFZJKOYRMDDIO-OCCSQVGLSA-N 1 0 396.203 2.910 20 0 GFADRO O=C(Nc1ccc(Cl)c(Cl)c1)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000331777596 563562270 /nfs/dbraw/zinc/56/22/70/563562270.db2.gz GQVPDZIPTKUICR-LBPRGKRZSA-N 1 0 385.295 2.669 20 0 GFADRO Brc1ccc2oc(C[N@@H+]3CC[C@H](CN4CCOCC4)C3)nc2c1 ZINC000286523413 563563696 /nfs/dbraw/zinc/56/36/96/563563696.db2.gz SOQSSNMBPZTLLK-CYBMUJFWSA-N 1 0 380.286 2.744 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N[C@H]2C[N@H+](C3CC3)C[C@@H]2C)c(Br)c1 ZINC000431715866 563567343 /nfs/dbraw/zinc/56/73/43/563567343.db2.gz OCSCGUAKLZCNII-WFASDCNBSA-N 1 0 394.313 2.603 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c(Br)c1 ZINC000431717634 563567380 /nfs/dbraw/zinc/56/73/80/563567380.db2.gz FYHUHPJYIHJEJN-OLZOCXBDSA-N 1 0 394.313 2.746 20 0 GFADRO CC1CC[NH+](C[C@@H](O)CNC(=O)C(C)(C)c2ccccc2Br)CC1 ZINC000409677804 563568050 /nfs/dbraw/zinc/56/80/50/563568050.db2.gz ICXHAVMTKLYBNK-HNNXBMFYSA-N 1 0 397.357 2.936 20 0 GFADRO O=C(Nc1ccn(-c2cc[nH+]cc2)n1)C1(c2cncc(Br)c2)CC1 ZINC000409706149 563568731 /nfs/dbraw/zinc/56/87/31/563568731.db2.gz JUHBQULBULZXAF-UHFFFAOYSA-N 1 0 384.237 3.095 20 0 GFADRO C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NC[C@H](O)C[NH+]1CCC(C)CC1 ZINC000409711896 563569136 /nfs/dbraw/zinc/56/91/36/563569136.db2.gz MJOFDAUYAPPJNZ-ZFWWWQNUSA-N 1 0 389.323 2.970 20 0 GFADRO C[C@H](Oc1cccc(Cl)c1Cl)C(=O)NC[C@H](O)C[NH+]1CCC(C)CC1 ZINC000409718800 563569456 /nfs/dbraw/zinc/56/94/56/563569456.db2.gz HMPNEPNMGGOSDQ-KBPBESRZSA-N 1 0 389.323 2.970 20 0 GFADRO C[C@H](Oc1cccc(Cl)c1Cl)C(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000409718802 563569551 /nfs/dbraw/zinc/56/95/51/563569551.db2.gz HMPNEPNMGGOSDQ-UONOGXRCSA-N 1 0 389.323 2.970 20 0 GFADRO COCCC[N@H+](C)CCNC(=O)[C@H]1C[C@@]12CCc1cc(Br)ccc12 ZINC000409732966 563569959 /nfs/dbraw/zinc/56/99/59/563569959.db2.gz PDXDYSHODATDKV-IEBWSBKVSA-N 1 0 395.341 2.738 20 0 GFADRO C[C@H](Oc1ccc(Br)cc1)C(=O)N(CC[NH+](C)C)C[C@H]1CCCO1 ZINC000409728958 563570073 /nfs/dbraw/zinc/57/00/73/563570073.db2.gz IXCATFOPEHWVGK-WMLDXEAASA-N 1 0 399.329 2.786 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)NCCC[NH+]2CCCC2)c(Br)c1 ZINC000431866092 563570102 /nfs/dbraw/zinc/57/01/02/563570102.db2.gz DTQKBGONOPVTDU-UHFFFAOYSA-N 1 0 382.302 2.607 20 0 GFADRO O=C(NCC(F)(F)Br)c1ccc(C[NH+]2CCC(CO)CC2)cc1 ZINC000286685271 563570906 /nfs/dbraw/zinc/57/09/06/563570906.db2.gz KLDQLUGSAUGTCI-UHFFFAOYSA-N 1 0 391.256 2.608 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)c(Br)c1 ZINC000431969827 563572197 /nfs/dbraw/zinc/57/21/97/563572197.db2.gz ALLBDXSFIGLDRK-HUUCEWRRSA-N 1 0 394.313 2.747 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)NCC[N@H+]2CCCC[C@@H]2C)c(Br)c1 ZINC000431956503 563572246 /nfs/dbraw/zinc/57/22/46/563572246.db2.gz XUKSDZOCQLOGRP-AWEZNQCLSA-N 1 0 396.329 2.995 20 0 GFADRO Cc1cc(NC(=O)C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@H]32)cc(C)c1Br ZINC000332043138 563572768 /nfs/dbraw/zinc/57/27/68/563572768.db2.gz LDLOXGLLNKNWHA-DZGCQCFKSA-N 1 0 394.313 2.557 20 0 GFADRO CNC(=O)[C@H]1C[N@@H+]([C@H](C)c2cccc(Br)c2)C[C@@H]1c1cnn(C)c1 ZINC000286826724 563576322 /nfs/dbraw/zinc/57/63/22/563576322.db2.gz SHHIGWJPSYUOSW-JLZZUVOBSA-N 1 0 391.313 2.705 20 0 GFADRO CNC(=O)[C@H]1C[N@@H+]([C@@H](C)c2cccc(Br)c2)C[C@@H]1c1cnn(C)c1 ZINC000286826727 563576381 /nfs/dbraw/zinc/57/63/81/563576381.db2.gz SHHIGWJPSYUOSW-VUCTXSBTSA-N 1 0 391.313 2.705 20 0 GFADRO CC[N@@H+]1CCC[C@H](CNC(=O)C[C@@H]2Sc3ccc(Cl)cc3NC2=O)C1 ZINC000409973674 563576764 /nfs/dbraw/zinc/57/67/64/563576764.db2.gz HWZCGVXRKALVSJ-WBMJQRKESA-N 1 0 381.929 2.991 20 0 GFADRO O=S(=O)(c1cccnc1C(F)(F)F)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000286833353 563577059 /nfs/dbraw/zinc/57/70/59/563577059.db2.gz JTXTUXJOSJZWOP-ZDUSSCGKSA-N 1 0 377.432 2.739 20 0 GFADRO C[C@@H]1C[C@@H]([NH2+]CC2(O)CCS(=O)(=O)CC2)c2cccc(Br)c21 ZINC000332226876 563585194 /nfs/dbraw/zinc/58/51/94/563585194.db2.gz CESWGOQELWBMJN-BXUZGUMPSA-N 1 0 388.327 2.527 20 0 GFADRO C[C@H](Oc1ccc(Cl)cc1Br)C(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000432528654 563586222 /nfs/dbraw/zinc/58/62/22/563586222.db2.gz ALIBSUJMRXAAEM-NRUUGDAUSA-N 1 0 375.694 2.984 20 0 GFADRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)c1cc(I)ccc1Cl ZINC000432512688 563586291 /nfs/dbraw/zinc/58/62/91/563586291.db2.gz XPCMJIYFKZIVAC-UFBFGSQYSA-N 1 0 378.641 2.672 20 0 GFADRO Cc1cc(Br)c(NC(=O)C(=O)N2CCC[N@@H+](C)CC2)cc1Cl ZINC000332304297 563591510 /nfs/dbraw/zinc/59/15/10/563591510.db2.gz LFFVMCFPELFGTG-UHFFFAOYSA-N 1 0 388.693 2.514 20 0 GFADRO C[C@H]1c2cc(Cl)cc(Cl)c2CCN1C(=O)C(=O)NC1CCC([NH3+])CC1 ZINC000332463400 563600097 /nfs/dbraw/zinc/60/00/97/563600097.db2.gz IIRYXBRHYNDHEL-PKSQDBQZSA-N 1 0 384.307 2.825 20 0 GFADRO C[N@H+](CCCc1ccccc1Cl)CCOc1ccc(S(N)(=O)=O)cc1 ZINC000433060029 563601951 /nfs/dbraw/zinc/60/19/51/563601951.db2.gz WLEUCZDGHBFSLL-UHFFFAOYSA-N 1 0 382.913 2.931 20 0 GFADRO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]C[C@H](O)Cc2cccc(Cl)c2)c1 ZINC000287559354 563607418 /nfs/dbraw/zinc/60/74/18/563607418.db2.gz BCJXBOKDRVFGDF-CXAGYDPISA-N 1 0 382.913 2.502 20 0 GFADRO C[C@H]([NH3+])C1CCN(C(=O)N[C@H]2CCN(c3ccccc3Br)C2)CC1 ZINC000332636351 563608718 /nfs/dbraw/zinc/60/87/18/563608718.db2.gz FKZMBVHVEDSMNU-ZFWWWQNUSA-N 1 0 395.345 2.797 20 0 GFADRO NS(=O)(=O)c1ccc(OCC[N@@H+]2CC[C@H](c3cccc(Cl)c3)C2)cc1 ZINC000433297495 563609274 /nfs/dbraw/zinc/60/92/74/563609274.db2.gz WJQGNJVEPDPORK-HNNXBMFYSA-N 1 0 380.897 2.856 20 0 GFADRO O=C(C[N@H+]1CC[C@H](Cc2ccc(Br)cc2)C1)NC[C@H]1CCCO1 ZINC000433315837 563609349 /nfs/dbraw/zinc/60/93/49/563609349.db2.gz ZHMCIBVHBWJZNU-NVXWUHKLSA-N 1 0 381.314 2.609 20 0 GFADRO O=C(N[C@@H]1COc2cc(F)c(Br)cc21)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000332705601 563612286 /nfs/dbraw/zinc/61/22/86/563612286.db2.gz VRMWEJJBNNNLHG-ZNMIVQPWSA-N 1 0 398.276 2.948 20 0 GFADRO CC(C)CNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CCOc2c(Br)cccc21 ZINC000332706381 563612459 /nfs/dbraw/zinc/61/24/59/563612459.db2.gz KGSSOQCJMIZTAD-BXUZGUMPSA-N 1 0 398.301 2.733 20 0 GFADRO C[NH+](C)C[C@H]1CCN(C(=O)N[C@@H](c2cncc(Br)c2)C2CC2)C1 ZINC000287681157 563613281 /nfs/dbraw/zinc/61/32/81/563613281.db2.gz FASJOKRPUZPBKO-MLGOLLRUSA-N 1 0 381.318 2.888 20 0 GFADRO C[C@H]1C[C@@H](NC(=O)c2cn(-c3ccc(Br)cc3)cn2)CC[N@@H+]1C ZINC000332713557 563613338 /nfs/dbraw/zinc/61/33/38/563613338.db2.gz ZEWWLTSNNGGBRN-JSGCOSHPSA-N 1 0 377.286 2.847 20 0 GFADRO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cnc2ccc(Br)cc2c1O ZINC000332898106 563615979 /nfs/dbraw/zinc/61/59/79/563615979.db2.gz MULCQMRHFMMJQB-AAEUAGOBSA-N 1 0 390.281 2.599 20 0 GFADRO O=C(Nc1nnc2ccc(Br)cn21)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000333031981 563618137 /nfs/dbraw/zinc/61/81/37/563618137.db2.gz CCRHSDRTLOTGJD-ZDUSSCGKSA-N 1 0 378.274 2.837 20 0 GFADRO CN(C(=O)Cc1ccccc1I)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000433777068 563619785 /nfs/dbraw/zinc/61/97/85/563619785.db2.gz ZIUOZEYWVRZLLO-AWEZNQCLSA-N 1 0 384.261 2.529 20 0 GFADRO COC(=O)CC1([NH2+]CCC(=O)Nc2ccc(Br)cc2F)CCC1 ZINC000411475646 563620296 /nfs/dbraw/zinc/62/02/96/563620296.db2.gz FFHMOYBSWYWIAC-UHFFFAOYSA-N 1 0 387.249 2.992 20 0 GFADRO Cc1nc(C)c(S(=O)(=O)N(CC[NH+](C)C)Cc2ccc(F)c(F)c2)s1 ZINC000433834770 563620678 /nfs/dbraw/zinc/62/06/78/563620678.db2.gz VBMKKQLYJSWJTD-UHFFFAOYSA-N 1 0 389.493 2.791 20 0 GFADRO CC[C@H](NCC(=O)NC1CC[NH+](CC)CC1)c1nc(C(F)(F)F)cs1 ZINC000411512698 563621779 /nfs/dbraw/zinc/62/17/79/563621779.db2.gz BNTXYXOUWPPZFD-LBPRGKRZSA-N 1 0 378.464 2.803 20 0 GFADRO [NH3+][C@H]1CCCO[C@H]1C1CCN(C(=O)Nc2cncc(Br)c2)CC1 ZINC000333173037 563623466 /nfs/dbraw/zinc/62/34/66/563623466.db2.gz QFBWSUWHSLEDPZ-GJZGRUSLSA-N 1 0 383.290 2.594 20 0 GFADRO COCC[C@H](NC(=O)NC[C@@](C)(O)C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000287948590 563623550 /nfs/dbraw/zinc/62/35/50/563623550.db2.gz UXGYCFPXQOYEHB-DOTOQJQBSA-N 1 0 392.327 2.683 20 0 GFADRO O=C(C[NH2+][C@@H](c1cc(F)cc(Br)c1)C1CC1)NC[C@H]1CCCO1 ZINC000411559069 563623639 /nfs/dbraw/zinc/62/36/39/563623639.db2.gz NCGFTLXSBXIKOJ-NVXWUHKLSA-N 1 0 385.277 2.924 20 0 GFADRO COCC[C@H](NC(=O)NC[C@](C)(O)C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000287948597 563623814 /nfs/dbraw/zinc/62/38/14/563623814.db2.gz UXGYCFPXQOYEHB-RDJZCZTQSA-N 1 0 392.327 2.683 20 0 GFADRO C[NH+](C)[C@@]1(CNC(=O)Cc2cc(Br)ccc2F)CCSC1 ZINC000434020775 563624928 /nfs/dbraw/zinc/62/49/28/563624928.db2.gz HCTYPULPCKGLJJ-OAHLLOKOSA-N 1 0 375.307 2.684 20 0 GFADRO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(C(=O)Cc2ccc(F)c(Br)c2)CC1 ZINC000333268733 563626090 /nfs/dbraw/zinc/62/60/90/563626090.db2.gz KBQNQUKUYZXWOT-SJLPKXTDSA-N 1 0 399.304 2.876 20 0 GFADRO C[C@H]1CN(C(=O)Nc2ccc(-c3ccc(Br)s3)nn2)[C@@H](C)C[NH2+]1 ZINC000333306877 563627405 /nfs/dbraw/zinc/62/74/05/563627405.db2.gz LBZDRFRMHFDVJT-UWVGGRQHSA-N 1 0 396.314 3.182 20 0 GFADRO [NH3+][C@H]1CCO[C@@H](C2CCN(C(=O)c3ccc(F)cc3Br)CC2)C1 ZINC000333326719 563628001 /nfs/dbraw/zinc/62/80/01/563628001.db2.gz VJDCXHHBFOQCMQ-XJKSGUPXSA-N 1 0 385.277 2.947 20 0 GFADRO CN(C(=O)NCCc1nc(C(F)(F)F)cs1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000288098260 563629026 /nfs/dbraw/zinc/62/90/26/563629026.db2.gz RNGHWVYOLMWARJ-FOSCPWQOSA-N 1 0 376.448 2.971 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)C(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000411673120 563629049 /nfs/dbraw/zinc/62/90/49/563629049.db2.gz NUEMECFVELTVMG-CYBMUJFWSA-N 1 0 396.329 2.798 20 0 GFADRO O=C(NCc1ccc(O)c(Br)c1)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000333371030 563629185 /nfs/dbraw/zinc/62/91/85/563629185.db2.gz MLQNEAWHEONTHH-UONOGXRCSA-N 1 0 382.302 2.686 20 0 GFADRO Cc1ccc(NC(=O)C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)c(Br)c1 ZINC000434558427 563632577 /nfs/dbraw/zinc/63/25/77/563632577.db2.gz JSXAXUZOBCIHJA-CQSZACIVSA-N 1 0 394.313 2.829 20 0 GFADRO CCS(=O)(=O)c1ccc([C@@H](C)[NH2+]CC(=O)N(C)Cc2cccs2)cc1 ZINC000411764398 563633523 /nfs/dbraw/zinc/63/35/23/563633523.db2.gz FJWZAEBRDDNDKR-CQSZACIVSA-N 1 0 380.535 2.851 20 0 GFADRO O=C(c1cc(Br)cs1)N1CCC(n2ncc3c2C[NH2+]C3)CC1 ZINC000333460332 563633504 /nfs/dbraw/zinc/63/35/04/563633504.db2.gz GJIRPZVMGREEIJ-UHFFFAOYSA-N 1 0 381.299 2.788 20 0 GFADRO C[C@@H](NC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1)[C@@H]1CCC[NH2+]C1 ZINC000333480580 563633950 /nfs/dbraw/zinc/63/39/50/563633950.db2.gz CATLYLMJRVCOJC-CHWSQXEVSA-N 1 0 386.327 2.608 20 0 GFADRO O=C(c1cc(F)c(Cl)cc1Cl)N1CC[NH+]([C@@H]2CCNC(=O)CC2)CC1 ZINC000333563949 563635964 /nfs/dbraw/zinc/63/59/64/563635964.db2.gz WXKJLLVVOIXGIC-NSHDSACASA-N 1 0 388.270 2.559 20 0 GFADRO O[C@@H](COc1ccc(Br)cc1)C[NH+]1CCC(c2ccncn2)CC1 ZINC000411829641 563636957 /nfs/dbraw/zinc/63/69/57/563636957.db2.gz OGKOXGLGTWWGLP-MRXNPFEDSA-N 1 0 392.297 2.858 20 0 GFADRO [NH3+][C@@H]1CCO[C@H](C2CCN(S(=O)(=O)Cc3ccc(F)c(Cl)c3)CC2)C1 ZINC000333629914 563637253 /nfs/dbraw/zinc/63/72/53/563637253.db2.gz GKNVXPXHRWSTDG-PBHICJAKSA-N 1 0 390.908 2.527 20 0 GFADRO C[C@@H]1[C@@H](NS(=O)(=O)Cc2ccc(Cl)nc2)CC[N@@H+]1Cc1ccccc1 ZINC000288299883 563637670 /nfs/dbraw/zinc/63/76/70/563637670.db2.gz GRSVILFKDSCDLM-PBHICJAKSA-N 1 0 379.913 2.817 20 0 GFADRO [NH3+][C@@H]1CCO[C@@H](C2CCN(S(=O)(=O)c3csc4ccccc43)CC2)C1 ZINC000333669195 563638638 /nfs/dbraw/zinc/63/86/38/563638638.db2.gz MVGQMQAJRQRBNR-GDBMZVCRSA-N 1 0 380.535 2.808 20 0 GFADRO Cc1cc(S(=O)(=O)N2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)sc1Cl ZINC000333670421 563638696 /nfs/dbraw/zinc/63/86/96/563638696.db2.gz MZGAQGPNNDLCRM-CHWSQXEVSA-N 1 0 378.947 2.617 20 0 GFADRO CCOC(=O)c1sc2ccsc2c1CNC(=O)C[C@H]1CSCC[NH2+]1 ZINC000434871944 563639817 /nfs/dbraw/zinc/63/98/17/563639817.db2.gz YHUPEVSLCQKYAA-JTQLQIEISA-N 1 0 384.548 2.851 20 0 GFADRO CN(C)C(=O)C1([NH2+]Cc2ccc(I)c(Cl)c2)CC1 ZINC000411914750 563640905 /nfs/dbraw/zinc/64/09/05/563640905.db2.gz QOSPOIVAYCWRMU-UHFFFAOYSA-N 1 0 378.641 2.655 20 0 GFADRO NC(=O)[C@]1(c2ccccc2)CC[N@H+](Cc2nc3cc(Br)ccc3[nH]2)C1 ZINC000411960911 563642506 /nfs/dbraw/zinc/64/25/06/563642506.db2.gz FFDCZVHLERZPME-LJQANCHMSA-N 1 0 399.292 2.954 20 0 GFADRO COc1ccc(C(=O)N2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)cc1Br ZINC000333826753 563643112 /nfs/dbraw/zinc/64/31/12/563643112.db2.gz LSSWXXAJBGMVBA-DOTOQJQBSA-N 1 0 397.313 2.816 20 0 GFADRO OC[C@@H]([NH2+]CCOc1ccc(Cl)cc1Br)[C@H]1CCCOC1 ZINC000411991901 563643110 /nfs/dbraw/zinc/64/31/10/563643110.db2.gz YMUCTSHCYOQMRW-SMDDNHRTSA-N 1 0 378.694 2.858 20 0 GFADRO C[NH+](C)C[C@@H]1CCCN1S(=O)(=O)c1cc(Br)sc1Cl ZINC000435209885 563644778 /nfs/dbraw/zinc/64/47/78/563644778.db2.gz FGNQQAYVQRIRIX-QMMMGPOBSA-N 1 0 387.752 2.879 20 0 GFADRO C[N@H+](C[C@H](O)COc1c(Cl)cccc1Cl)C(C)(C)CN1CCOCC1 ZINC000412073851 563646496 /nfs/dbraw/zinc/64/64/96/563646496.db2.gz AXQYBJRLXRUXFN-AWEZNQCLSA-N 1 0 391.339 2.776 20 0 GFADRO COC(=O)[C@H]1CSCC[N@H+](C[C@@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000412091655 563647549 /nfs/dbraw/zinc/64/75/49/563647549.db2.gz YXOISPPQAAGWSW-DGCLKSJQSA-N 1 0 394.320 2.571 20 0 GFADRO Cc1nn2c(CN(Cc3scnc3C)C[C@@H]3CC[NH2+]C3)c(C)nc2s1 ZINC000435441888 563650947 /nfs/dbraw/zinc/65/09/47/563650947.db2.gz IEHPRGCVDAPDPV-CQSZACIVSA-N 1 0 376.555 2.784 20 0 GFADRO CC[C@H]1CN(C(=O)N[C@@H](C)c2ccc(Br)cn2)CC[N@@H+]1CCOC ZINC000334064805 563651463 /nfs/dbraw/zinc/65/14/63/563651463.db2.gz QKIVFYVROWBXCE-ZFWWWQNUSA-N 1 0 399.333 2.657 20 0 GFADRO [NH3+][C@H]1CCc2nc(NC(=O)c3n[nH]c(C4CC4)c3Br)sc2C1 ZINC000288761125 563656272 /nfs/dbraw/zinc/65/62/72/563656272.db2.gz OEEPOTBIGFFVAT-ZETCQYMHSA-N 1 0 382.287 2.574 20 0 GFADRO C[NH+](C)C1(CNC(=O)[C@@H]2CC(=O)Nc3ccc(Br)cc32)CCCC1 ZINC000435773094 563658459 /nfs/dbraw/zinc/65/84/59/563658459.db2.gz JNJITYUXZDNWHZ-CQSZACIVSA-N 1 0 394.313 2.866 20 0 GFADRO C[C@H]1CN(C(=O)NCCSc2ccc(Cl)cc2)CC[N@@H+]1CC(C)(C)O ZINC000435858771 563659420 /nfs/dbraw/zinc/65/94/20/563659420.db2.gz RWRBSSJKOQMXOL-AWEZNQCLSA-N 1 0 385.961 2.919 20 0 GFADRO Cc1cc([C@H]2CCCN2C(=O)[C@@H]2C[N@@H+]3CCN2CCC3)ccc1Br ZINC000435971186 563661499 /nfs/dbraw/zinc/66/14/99/563661499.db2.gz YDBYVDXXDCSZLL-MSOLQXFVSA-N 1 0 392.341 2.811 20 0 GFADRO CC[C@@H](Cc1ccccc1Br)C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000289175387 563670893 /nfs/dbraw/zinc/67/08/93/563670893.db2.gz HWJBMLYTJKFIER-RDJZCZTQSA-N 1 0 394.357 2.524 20 0 GFADRO C[C@H](O)c1ncc(C[NH2+]C[C@H](O)COc2ccc(C(F)(F)F)cc2)s1 ZINC000289203523 563671824 /nfs/dbraw/zinc/67/18/24/563671824.db2.gz HVXQUOQGHBJJQW-JQWIXIFHSA-N 1 0 376.400 2.745 20 0 GFADRO C[NH+]1CCC(Cc2nc(CNC(=O)c3ccc(Br)cc3)no2)CC1 ZINC000289508375 563676532 /nfs/dbraw/zinc/67/65/32/563676532.db2.gz ZFUQUHJCTULXCB-UHFFFAOYSA-N 1 0 393.285 2.646 20 0 GFADRO COc1cccc(C(=O)NCC[NH2+][C@H](C)c2ccc(Br)nc2)c1 ZINC000289632090 563681518 /nfs/dbraw/zinc/68/15/18/563681518.db2.gz HJALNIPVTXRBRX-GFCCVEGCSA-N 1 0 378.270 2.933 20 0 GFADRO Cc1cccnc1CCc1noc(C[N-]S(=O)(=O)c2ccc(Cl)s2)n1 ZINC000351126029 563682499 /nfs/dbraw/zinc/68/24/99/563682499.db2.gz CGXWQCSAGMJKHD-UHFFFAOYSA-N 1 0 398.897 2.752 20 0 GFADRO O=C([C@H]1COc2ccc(Br)cc21)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000289666269 563682567 /nfs/dbraw/zinc/68/25/67/563682567.db2.gz ACCAHAFOPJBDLA-BBRMVZONSA-N 1 0 379.298 2.773 20 0 GFADRO CS[C@H]1CN(C(=O)c2cc(Br)ccc2O)C[C@@H]1[NH+]1CCCC1 ZINC000436916464 563685263 /nfs/dbraw/zinc/68/52/63/563685263.db2.gz WMJZEUIJVWHUIP-ZFWWWQNUSA-N 1 0 385.327 2.807 20 0 GFADRO Cc1ccc(C[N@@H+]2CCC[C@H]2C[C@@]2(C)NC(=O)NC2=O)cc1Br ZINC000289857935 563689485 /nfs/dbraw/zinc/68/94/85/563689485.db2.gz VIMFSOSZLGBQQV-SUMWQHHRSA-N 1 0 380.286 2.710 20 0 GFADRO C[C@]1(C[C@H]2CCC[N@@H+]2Cc2ccc(F)cc2Br)NC(=O)NC1=O ZINC000289963240 563693093 /nfs/dbraw/zinc/69/30/93/563693093.db2.gz ZECLDBSZZNJJLX-MLGOLLRUSA-N 1 0 384.249 2.541 20 0 GFADRO COC(=O)[C@H]1CN(c2ccnc3cc(Br)ccc32)CC[N@H+](C)C1 ZINC000413495733 563694656 /nfs/dbraw/zinc/69/46/56/563694656.db2.gz JQQDXRZEVOSQID-GFCCVEGCSA-N 1 0 378.270 2.538 20 0 GFADRO CC(C)[NH+]1CCN([C@H]2CCN(C(=O)c3cc(Cl)c(N)c(Cl)c3)C2)CC1 ZINC000360829517 563695204 /nfs/dbraw/zinc/69/52/04/563695204.db2.gz NUXAPLRPQKDPEB-AWEZNQCLSA-N 1 0 385.339 2.816 20 0 GFADRO NC(=O)[C@@H]([NH2+]C[C@H]1CC(=O)Nc2ccccc21)c1ccc(Br)cc1 ZINC000361038015 563696086 /nfs/dbraw/zinc/69/60/86/563696086.db2.gz YCTANMDFFYOCSK-PXAZEXFGSA-N 1 0 388.265 2.691 20 0 GFADRO COc1cc([C@@H](C)[NH2+][C@@H](CO)C2CCCC2)ccc1S(=O)(=O)C(F)F ZINC000290071929 563697224 /nfs/dbraw/zinc/69/72/24/563697224.db2.gz GDSGCPDWCHHZAX-RISCZKNCSA-N 1 0 377.453 2.893 20 0 GFADRO CC[NH+](CC)CCOCCNC(=O)N[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000438309638 563703376 /nfs/dbraw/zinc/70/33/76/563703376.db2.gz ZMCQGICADNFBEK-DLBZAZTESA-N 1 0 398.345 2.963 20 0 GFADRO C[C@]1([C@@H]2CCC[N@@H+]([C@@H]3CCc4c3cccc4Br)C2)NC(=O)NC1=O ZINC000362139378 563703641 /nfs/dbraw/zinc/70/36/41/563703641.db2.gz FJEWDPVKCRBAMB-PZDGAKPMSA-N 1 0 392.297 2.747 20 0 GFADRO CC[C@@H](C(=O)N[C@H](CO)c1ccc(Br)cc1C(F)(F)F)[NH+](C)C ZINC000413767429 563705685 /nfs/dbraw/zinc/70/56/85/563705685.db2.gz NFTTWAVLFQBXRO-OLZOCXBDSA-N 1 0 397.235 2.958 20 0 GFADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc(F)cc3I)C[C@@H]21 ZINC000362283873 563705584 /nfs/dbraw/zinc/70/55/84/563705584.db2.gz MCAFWWQWPPZZBV-YGRLFVJLSA-N 1 0 388.224 2.597 20 0 GFADRO O=C(CCC(=O)c1cc(Cl)sc1Cl)N[C@H](CO)C[NH+]1CCCCC1 ZINC000413814895 563706473 /nfs/dbraw/zinc/70/64/73/563706473.db2.gz JAJHCLVFSGUAFI-NSHDSACASA-N 1 0 393.336 2.981 20 0 GFADRO CC1CC[NH+](C[C@H](O)CNC(=O)Nc2ccc(F)c(Br)c2)CC1 ZINC000438575796 563707378 /nfs/dbraw/zinc/70/73/78/563707378.db2.gz GIAWBLKWZCCXDK-CYBMUJFWSA-N 1 0 388.281 2.803 20 0 GFADRO CC[C@@H](C)[C@@H](NC(=O)C[NH2+]C(C)(C)c1ccc(Br)cc1)C(=O)OC ZINC000438674809 563708977 /nfs/dbraw/zinc/70/89/77/563708977.db2.gz YKTAMYKGHARKLH-MLGOLLRUSA-N 1 0 399.329 2.978 20 0 GFADRO Brc1cncc(Br)c1C[NH+]1CCC2(CC1)OCCO2 ZINC000290475509 563711375 /nfs/dbraw/zinc/71/13/75/563711375.db2.gz QNUSSZPTZUIXSF-UHFFFAOYSA-N 1 0 392.091 2.946 20 0 GFADRO C[N@H+](CCc1ccccn1)C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000438843349 563712605 /nfs/dbraw/zinc/71/26/05/563712605.db2.gz VHONQBFQDIUEMO-INIZCTEOSA-N 1 0 383.261 2.897 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CNC(=O)C1CCN(C(=O)c2ccc(Cl)s2)CC1 ZINC000363041994 563712720 /nfs/dbraw/zinc/71/27/20/563712720.db2.gz CIIZZLXZJNIAMU-AWEZNQCLSA-N 1 0 383.945 2.854 20 0 GFADRO C[C@H]1C[C@@H](C(=O)Nc2cc(Br)ccc2N2CC[NH+](C)CC2)CO1 ZINC000438948427 563713821 /nfs/dbraw/zinc/71/38/21/563713821.db2.gz BSUZLIIPZLJMNO-QWHCGFSZSA-N 1 0 382.302 2.564 20 0 GFADRO O=C(NCCCN1CCCC1=O)C1CC[NH+](Cc2ccc(Cl)s2)CC1 ZINC000363099538 563714267 /nfs/dbraw/zinc/71/42/67/563714267.db2.gz UAEHYUXRUWAQLC-UHFFFAOYSA-N 1 0 383.945 2.742 20 0 GFADRO CCC[N@H+](C)CC(=O)Nc1cc(Br)c(F)cc1N1CCOCC1 ZINC000414002867 563714501 /nfs/dbraw/zinc/71/45/01/563714501.db2.gz CJINKSCANUYZPA-UHFFFAOYSA-N 1 0 388.281 2.705 20 0 GFADRO O=C(CCCOc1ccccc1Br)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000363117243 563715124 /nfs/dbraw/zinc/71/51/24/563715124.db2.gz FUDGRFIHBWTVDW-HUUCEWRRSA-N 1 0 397.313 2.588 20 0 GFADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1cc2cc(Br)ccc2[nH]1 ZINC000363176523 563716543 /nfs/dbraw/zinc/71/65/43/563716543.db2.gz JYIXVICIXVAMKI-ZIAGYGMSSA-N 1 0 378.270 2.523 20 0 GFADRO COc1ccc(CC[NH2+][C@H](C)Cn2cc(Br)ccc2=O)c(OC)c1 ZINC000414064763 563717245 /nfs/dbraw/zinc/71/72/45/563717245.db2.gz FDUHMXSGRHNQBJ-CYBMUJFWSA-N 1 0 395.297 2.849 20 0 GFADRO COc1ccc(C[C@@H](C)[NH2+]CCNC(=O)c2ccc(Br)cc2)cn1 ZINC000414063963 563717305 /nfs/dbraw/zinc/71/73/05/563717305.db2.gz FDOJIIKCNBDKAC-CYBMUJFWSA-N 1 0 392.297 2.803 20 0 GFADRO O=C(NCC[NH2+][C@@H](c1ccc(Br)s1)C1CC1)c1cnccn1 ZINC000439132806 563717509 /nfs/dbraw/zinc/71/75/09/563717509.db2.gz KSKIVHZEZFRFHA-CQSZACIVSA-N 1 0 381.299 2.771 20 0 GFADRO NS(=O)(=O)c1ccc(OCC[N@@H+]2CCSC[C@@H]2c2cccs2)cc1 ZINC000363285536 563718091 /nfs/dbraw/zinc/71/80/91/563718091.db2.gz MWZBEDMKWIWIIC-OAHLLOKOSA-N 1 0 384.548 2.564 20 0 GFADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]CCOc1ncccc1Cl ZINC000414097811 563718765 /nfs/dbraw/zinc/71/87/65/563718765.db2.gz RZTHGYIEYANDGZ-LLVKDONJSA-N 1 0 386.677 2.716 20 0 GFADRO C[C@H](C(=O)Nc1cccc(Br)c1)N1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000363364192 563720364 /nfs/dbraw/zinc/72/03/64/563720364.db2.gz MBOWQECBBDXJOE-CZUORRHYSA-N 1 0 398.370 2.899 20 0 GFADRO C[NH+]1CCN(C[C@@H](O)COc2cc(Cl)c(Br)cc2Cl)CC1 ZINC000414127468 563720483 /nfs/dbraw/zinc/72/04/83/563720483.db2.gz PVHKVIYZNZCCOJ-SNVBAGLBSA-N 1 0 398.128 2.743 20 0 GFADRO C[C@@H](Cn1cc(Br)ccc1=O)[N@@H+]1CCC[C@H](CC(C)(C)C(N)=O)C1 ZINC000414152267 563720896 /nfs/dbraw/zinc/72/08/96/563720896.db2.gz XCDBRZLIQQRPEZ-UONOGXRCSA-N 1 0 398.345 2.613 20 0 GFADRO C[C@@H]1[C@H](N2CCOCC2)CCN1C(=O)NCc1cc(Br)cs1 ZINC000290783959 563721308 /nfs/dbraw/zinc/72/13/08/563721308.db2.gz NKJHBIDRJTUEGE-BXUZGUMPSA-N 1 0 388.331 2.515 20 0 GFADRO C[C@@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH2+]C[C@@H]1CNC(=O)C1 ZINC000414188797 563721708 /nfs/dbraw/zinc/72/17/08/563721708.db2.gz DYXRISKJTJZULB-VHSXEESVSA-N 1 0 377.794 2.802 20 0 GFADRO C[N@H+](C[C@@H](O)CSc1nnc2c(Cl)cc(C(F)(F)F)cn12)C1CC1 ZINC000290814397 563722677 /nfs/dbraw/zinc/72/26/77/563722677.db2.gz ROXTUKHPBKEUCW-SNVBAGLBSA-N 1 0 380.823 2.949 20 0 GFADRO C[C@@H]([NH2+][C@H]1CS[C@H](C)C1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000414224412 563723334 /nfs/dbraw/zinc/72/33/34/563723334.db2.gz HUCCCLPHHUAWMY-FXPVBKGRSA-N 1 0 379.345 2.641 20 0 GFADRO C[C@H]([NH3+])CCNC(=O)C(=O)Nc1ccc(Br)c(Cl)c1Cl ZINC000415363587 563770611 /nfs/dbraw/zinc/77/06/11/563770611.db2.gz RSIGMWVTDFFAEF-LURJTMIESA-N 1 0 383.073 2.548 20 0 GFADRO C[C@@H]([NH2+]C[C@H]1C[C@@H](C)O[C@H]1C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000414261776 563724145 /nfs/dbraw/zinc/72/41/45/563724145.db2.gz OELQPMZISRPRAX-HNCHTBHHSA-N 1 0 391.331 2.561 20 0 GFADRO C[N@H+](C[C@H](O)COc1cc(F)cc(Br)c1)[C@@H](CO)c1ccccc1 ZINC000439433997 563724598 /nfs/dbraw/zinc/72/45/98/563724598.db2.gz ASHRZXDNMAZNCS-WMZOPIPTSA-N 1 0 398.272 2.993 20 0 GFADRO CC[C@@]1(CO)CCC[N@H+](C[C@@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000439437971 563724607 /nfs/dbraw/zinc/72/46/07/563724607.db2.gz CCBWHDDNSYMMAU-NVXWUHKLSA-N 1 0 390.293 2.812 20 0 GFADRO CC(C)C[NH+]1CCN(C[C@H](O)COc2cc(F)cc(Br)c2)CC1 ZINC000439432735 563724638 /nfs/dbraw/zinc/72/46/38/563724638.db2.gz VKTOOABBULKMIZ-INIZCTEOSA-N 1 0 389.309 2.602 20 0 GFADRO CCC1(CO)CC[NH+](C[C@H](O)COc2cc(F)cc(Br)c2)CC1 ZINC000439445538 563725495 /nfs/dbraw/zinc/72/54/95/563725495.db2.gz CHHPVUZSJDEONU-HNNXBMFYSA-N 1 0 390.293 2.812 20 0 GFADRO C[N@H+](C[C@@H](O)COc1cc(F)cc(Br)c1)[C@@H]1CCCC[C@H]1O ZINC000439449798 563725710 /nfs/dbraw/zinc/72/57/10/563725710.db2.gz VTUJRPINMMPGOD-FVQBIDKESA-N 1 0 376.266 2.563 20 0 GFADRO CCCC[N@H+](C)C[C@H](C)NC(=O)c1cc2c(cc1Br)NC(=O)CO2 ZINC000290913259 563725815 /nfs/dbraw/zinc/72/58/15/563725815.db2.gz LVQHKZSYIXGWTR-NSHDSACASA-N 1 0 398.301 2.630 20 0 GFADRO COc1ccccc1N1CC[C@H](C[NH2+]Cc2ccc(S(C)(=O)=O)s2)C1 ZINC000414324894 563726151 /nfs/dbraw/zinc/72/61/51/563726151.db2.gz WNWKJHODBHQSNC-CQSZACIVSA-N 1 0 380.535 2.776 20 0 GFADRO C[NH+](C)[C@@H]1CCc2ccccc2[C@@H]1NC(=O)CSc1n[n-]c(=S)s1 ZINC000363587210 563727757 /nfs/dbraw/zinc/72/77/57/563727757.db2.gz QDIBTUCZMOFKCO-OCCSQVGLSA-N 1 0 380.564 2.653 20 0 GFADRO Cc1cc(Br)cc2c1[C@H]([NH2+]CCCCn1cc(C(N)=O)nn1)CC2 ZINC000414351454 563728316 /nfs/dbraw/zinc/72/83/16/563728316.db2.gz NIXCQKNZQWHXIS-CQSZACIVSA-N 1 0 392.301 2.505 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000439591417 563728859 /nfs/dbraw/zinc/72/88/59/563728859.db2.gz TXSZRGVOEMQOOM-OAHLLOKOSA-N 1 0 394.313 2.700 20 0 GFADRO COc1ccc(C[C@@H](C)C[NH2+]Cc2ccc(S(N)(=O)=O)c(Cl)c2)cc1 ZINC000414367093 563730194 /nfs/dbraw/zinc/73/01/94/563730194.db2.gz PSLLACBNUZTGCS-CYBMUJFWSA-N 1 0 382.913 2.964 20 0 GFADRO Cc1ccc(C[N@@H+]2CCC[C@@H](C(=O)Nc3ccc(Br)cn3)C2)nn1 ZINC000414367350 563730239 /nfs/dbraw/zinc/73/02/39/563730239.db2.gz DKUUSLVKFWZLNR-CYBMUJFWSA-N 1 0 390.285 2.793 20 0 GFADRO Cn1cc(C[C@H]2CC[N@H+](C[C@@H](O)c3ccc(F)c(Br)c3)C2)cn1 ZINC000363702031 563730698 /nfs/dbraw/zinc/73/06/98/563730698.db2.gz AZWKZUOAKYRDSZ-SJKOYZFVSA-N 1 0 382.277 2.920 20 0 GFADRO Cc1cn2c(n1)CN(S(=O)(=O)/C=C/c1ccc(Br)cc1)CC2 ZINC000363712280 563731166 /nfs/dbraw/zinc/73/11/66/563731166.db2.gz OJNQKSYBGBUWNP-RMKNXTFCSA-N 1 0 382.283 2.770 20 0 GFADRO O=S1(=O)CC[C@@H]([NH2+]C2CCN(CCCSCc3ccccc3)CC2)C1 ZINC000363749295 563732072 /nfs/dbraw/zinc/73/20/72/563732072.db2.gz SUVANTAQMDSGJW-LJQANCHMSA-N 1 0 382.595 2.551 20 0 GFADRO C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000363941254 563737829 /nfs/dbraw/zinc/73/78/29/563737829.db2.gz RAXUDTPOYZXZLL-YNEHKIRRSA-N 1 0 384.307 2.855 20 0 GFADRO C[NH2+][C@H]1CCN(S(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 ZINC000440339840 563738849 /nfs/dbraw/zinc/73/88/49/563738849.db2.gz MVHWLYHPCSZADT-JTQLQIEISA-N 1 0 376.322 2.707 20 0 GFADRO CCCN([C@H]1CC[NH2+]C1)S(=O)(=O)c1cc(Br)sc1Cl ZINC000440346556 563739199 /nfs/dbraw/zinc/73/91/99/563739199.db2.gz UBMRSVQMDOYQOQ-QMMMGPOBSA-N 1 0 387.752 2.927 20 0 GFADRO CCc1ncc(C[NH2+]C[C@H](CO)Cc2ccc(F)c(Br)c2)cn1 ZINC000414453502 563739268 /nfs/dbraw/zinc/73/92/68/563739268.db2.gz BSDXBPIHLIEGIY-CYBMUJFWSA-N 1 0 382.277 2.881 20 0 GFADRO CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)NCCc1ccc(F)c(Br)c1 ZINC000364007502 563739902 /nfs/dbraw/zinc/73/99/02/563739902.db2.gz XDCYGCKJSDUKBL-PNPHSEOMSA-N 1 0 399.304 2.779 20 0 GFADRO CCOc1ccc(S(=O)(=O)N[C@H]2CCC[C@@H]2[NH+](C)C)cc1Br ZINC000414465795 563741377 /nfs/dbraw/zinc/74/13/77/563741377.db2.gz SQXIMGKNJQZEGV-KBPBESRZSA-N 1 0 391.331 2.609 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCCN(S(=O)(=O)c2cc(Br)sc2Cl)C1 ZINC000440443892 563742177 /nfs/dbraw/zinc/74/21/77/563742177.db2.gz OCCMVXJNMKYVTG-YUMQZZPRSA-N 1 0 387.752 2.912 20 0 GFADRO C[C@H](C[NH3+])N(C)S(=O)(=O)c1csc(-c2cccc(Br)c2)n1 ZINC000440433053 563742222 /nfs/dbraw/zinc/74/22/22/563742222.db2.gz MACIESJBOZHTFU-SECBINFHSA-N 1 0 390.328 2.540 20 0 GFADRO O=C(NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc(Br)cc1 ZINC000440516903 563743877 /nfs/dbraw/zinc/74/38/77/563743877.db2.gz RWYMVUAQTVBMJS-IBGZPJMESA-N 1 0 389.293 2.816 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S(=O)(=O)CC[NH2+][C@H]1CCCC1(C)C ZINC000440518395 563744197 /nfs/dbraw/zinc/74/41/97/563744197.db2.gz JWPTZTCNRUZYBP-KRWDZBQOSA-N 1 0 387.567 2.812 20 0 GFADRO CCOc1cc(C[N@@H+]2CC[C@H](C(=O)N(C)C)C2)cc(Br)c1OC ZINC000414498001 563744584 /nfs/dbraw/zinc/74/45/84/563744584.db2.gz LXAISOFCUYGKEV-ZDUSSCGKSA-N 1 0 385.302 2.767 20 0 GFADRO O=C(NC[C@H]1CCC[NH2+]1)[C@H]1CCCN1c1ncc(C(F)(F)F)cc1Cl ZINC000364145238 563744738 /nfs/dbraw/zinc/74/47/38/563744738.db2.gz XIYJXMWKPAJGBD-DGCLKSJQSA-N 1 0 376.810 2.591 20 0 GFADRO O=C(c1[nH]nc2c1C[NH2+]CC2)N(Cc1cc(Br)ccc1F)C1CC1 ZINC000364201617 563745918 /nfs/dbraw/zinc/74/59/18/563745918.db2.gz OQMWBFAMQCJPIY-UHFFFAOYSA-N 1 0 393.260 2.762 20 0 GFADRO COc1ccc(Br)c(C[NH2+]CC2(CS(C)(=O)=O)CCC2)c1 ZINC000414551331 563746199 /nfs/dbraw/zinc/74/61/99/563746199.db2.gz FJBWTGTVSYEARW-UHFFFAOYSA-N 1 0 376.316 2.762 20 0 GFADRO CN(C(=O)c1c(F)cccc1Br)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000364251318 563747761 /nfs/dbraw/zinc/74/77/61/563747761.db2.gz FWLBGHXFJGXMGH-CQSZACIVSA-N 1 0 398.320 2.829 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCCN(S(=O)(=O)c2cc(Cl)ccc2Br)C1 ZINC000440738336 563748928 /nfs/dbraw/zinc/74/89/28/563748928.db2.gz USBJYHNZFQFOOQ-VHSXEESVSA-N 1 0 381.723 2.850 20 0 GFADRO [NH3+]C[C@H](NC(=O)Nc1nnc(SCc2ccccc2)s1)C1CCCC1 ZINC000414695301 563750284 /nfs/dbraw/zinc/75/02/84/563750284.db2.gz ABZWPHQBNVMUGY-AWEZNQCLSA-N 1 0 377.539 3.469 20 0 GFADRO O=C(CN1CCC[C@H]1C[N@H+]1CCC[C@@H]1CO)Nc1c(Cl)cccc1Cl ZINC000364355506 563750346 /nfs/dbraw/zinc/75/03/46/563750346.db2.gz FPFFKPLVMNHPDY-UONOGXRCSA-N 1 0 386.323 2.853 20 0 GFADRO COc1cc(Br)c(S(=O)(=O)NCC[C@H]2CCC[NH2+]2)cc1Cl ZINC000440811206 563751041 /nfs/dbraw/zinc/75/10/41/563751041.db2.gz GITDYAWLTDBJAK-SECBINFHSA-N 1 0 397.722 2.532 20 0 GFADRO Cc1cc(Br)ccc1S(=O)(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000440837390 563751502 /nfs/dbraw/zinc/75/15/02/563751502.db2.gz XLRAHKUSSMVNMZ-HNNXBMFYSA-N 1 0 387.343 2.910 20 0 GFADRO Cc1cc(F)c(Br)cc1S(=O)(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000440838544 563751676 /nfs/dbraw/zinc/75/16/76/563751676.db2.gz SOAKBUZASVTCRG-COPLHBTASA-N 1 0 391.306 2.645 20 0 GFADRO C[C@@H]([NH3+])c1ccc(NC(=O)C(=O)N(C)Cc2ccc(Br)o2)cc1 ZINC000414732755 563751862 /nfs/dbraw/zinc/75/18/62/563751862.db2.gz UTUDWKLMDVKKDB-SNVBAGLBSA-N 1 0 380.242 2.659 20 0 GFADRO C[NH2+]CCC1CCN(S(=O)(=O)c2sc(C)cc2Br)CC1 ZINC000440839234 563751849 /nfs/dbraw/zinc/75/18/49/563751849.db2.gz ALQZLSPZKLTNBP-UHFFFAOYSA-N 1 0 381.361 2.829 20 0 GFADRO O=S(=O)(NCC1=CC[NH2+]CC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000440848861 563752313 /nfs/dbraw/zinc/75/23/13/563752313.db2.gz WUTLSSFZQYQODA-UHFFFAOYSA-N 1 0 388.333 2.922 20 0 GFADRO COc1ccc([C@H]2CC[NH2+]C[C@H]2NS(=O)(=O)c2cc(C)sc2C)cc1 ZINC000440850448 563752499 /nfs/dbraw/zinc/75/24/99/563752499.db2.gz CPDIXQVCSFNCSQ-IAGOWNOFSA-N 1 0 380.535 2.798 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)Nc2cc(Cl)ccc2OCC(F)(F)F)CCCO1 ZINC000414796950 563752762 /nfs/dbraw/zinc/75/27/62/563752762.db2.gz YHJIXOVBLXVASR-LLVKDONJSA-N 1 0 381.782 2.863 20 0 GFADRO CC1(C)[NH2+]CC[C@@H]1NC(=O)Nc1cc(Br)ccc1N1CCOCC1 ZINC000414927480 563754417 /nfs/dbraw/zinc/75/44/17/563754417.db2.gz MAKKUFOJFSTZBQ-HNNXBMFYSA-N 1 0 397.317 2.548 20 0 GFADRO C[NH2+]CCNC(=O)Nc1nnc(SCc2c(Cl)cccc2Cl)s1 ZINC000414918075 563754511 /nfs/dbraw/zinc/75/45/11/563754511.db2.gz XKEZZEMYDWQXAS-UHFFFAOYSA-N 1 0 392.337 3.478 20 0 GFADRO Cn1ccnc1[C@H]1CCN(C(=O)NOCc2ccc(F)cc2Br)C1 ZINC000364596807 563758369 /nfs/dbraw/zinc/75/83/69/563758369.db2.gz ZWTACRJBJKDBDF-NSHDSACASA-N 1 0 397.248 2.952 20 0 GFADRO COc1ccc(I)c(NC(=O)N[C@H](C)CCC[NH3+])c1 ZINC000415077162 563758595 /nfs/dbraw/zinc/75/85/95/563758595.db2.gz SWPGTVSXLSPXHH-SECBINFHSA-N 1 0 377.226 2.549 20 0 GFADRO O=C1N[C@@H]2CN(Cc3ccc(Cl)cc3Cl)CC[C@@H]2N1C1CC[NH2+]CC1 ZINC000415134375 563760091 /nfs/dbraw/zinc/76/00/91/563760091.db2.gz DQNGCDZPDGRIEC-SJORKVTESA-N 1 0 383.323 2.714 20 0 GFADRO [NH3+]Cc1cn([C@H]2CCCN(Cc3c(F)ccc(Br)c3F)C2)nn1 ZINC000415128864 563760206 /nfs/dbraw/zinc/76/02/06/563760206.db2.gz OKLUUGMDHATCLR-NSHDSACASA-N 1 0 386.244 2.615 20 0 GFADRO CN(C(=O)c1ccn(-c2cccc(Br)c2)n1)[C@H]1CCC[NH2+]CC1 ZINC000364640749 563760354 /nfs/dbraw/zinc/76/03/54/563760354.db2.gz JPUAKALRMJKGHA-AWEZNQCLSA-N 1 0 377.286 2.849 20 0 GFADRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)Nc1cc(F)c(I)c(F)c1 ZINC000415125140 563760505 /nfs/dbraw/zinc/76/05/05/563760505.db2.gz RWBGIZMANMINFV-JGVFFNPUSA-N 1 0 395.191 2.770 20 0 GFADRO C[C@@]1(C[NH3+])CCN(C(=O)Nc2cc(Br)ccc2-n2cccn2)C1 ZINC000415163813 563761256 /nfs/dbraw/zinc/76/12/56/563761256.db2.gz OXQSQJVEWWQMGO-INIZCTEOSA-N 1 0 378.274 2.837 20 0 GFADRO C[C@H]1C[C@H](NC(=O)Nc2cc(Br)ccc2-n2cccn2)CC[NH2+]1 ZINC000415169461 563761799 /nfs/dbraw/zinc/76/17/99/563761799.db2.gz VYCANTLVMTUTLI-WCQYABFASA-N 1 0 378.274 2.897 20 0 GFADRO C[C@H]([NH3+])CCNC(=O)Nc1cc(Br)cnc1OCC(F)(F)F ZINC000415167520 563761856 /nfs/dbraw/zinc/76/18/56/563761856.db2.gz GXTPHSXDWDYKBQ-ZETCQYMHSA-N 1 0 385.184 2.644 20 0 GFADRO C[NH2+]CCCNC(=O)Nc1ccc(CCn2cc(Br)cn2)cc1 ZINC000415217585 563763011 /nfs/dbraw/zinc/76/30/11/563763011.db2.gz VSFWUOVYECFVLB-UHFFFAOYSA-N 1 0 380.290 2.619 20 0 GFADRO C[NH+]1CCC([C@H]2CCN(C(=O)c3nc(C4CC4)ncc3Br)C2)CC1 ZINC000291897350 563763632 /nfs/dbraw/zinc/76/36/32/563763632.db2.gz ZCQRYYNJNJIZPL-AWEZNQCLSA-N 1 0 393.329 2.920 20 0 GFADRO CN(C(=O)c1cnn(-c2ccc(Br)cc2)c1)[C@H]1CCC[NH2+]CC1 ZINC000364772192 563763892 /nfs/dbraw/zinc/76/38/92/563763892.db2.gz BFICOXKIQPSJBA-HNNXBMFYSA-N 1 0 377.286 2.849 20 0 GFADRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)Nc1ccc(F)cc1I ZINC000415254455 563764381 /nfs/dbraw/zinc/76/43/81/563764381.db2.gz SIOMZUSPHDDZSP-KCJUWKMLSA-N 1 0 377.201 2.550 20 0 GFADRO Cc1ccc(SCC(F)(F)F)c(NC(=O)C(=O)N2CCC[C@@H]([NH3+])C2)c1 ZINC000415277212 563764730 /nfs/dbraw/zinc/76/47/30/563764730.db2.gz YESNXISBCDKQHV-LLVKDONJSA-N 1 0 375.416 2.538 20 0 GFADRO CCc1ccccc1[C@H]([NH3+])CNC(=O)Nc1cc(Br)cn(C)c1=O ZINC000415265112 563764867 /nfs/dbraw/zinc/76/48/67/563764867.db2.gz PJYCDVQRKLJHQQ-CQSZACIVSA-N 1 0 393.285 2.532 20 0 GFADRO Cn1cc(Br)cc(NC(=O)N[C@H](CCC[NH3+])c2ccccc2)c1=O ZINC000415263991 563765093 /nfs/dbraw/zinc/76/50/93/563765093.db2.gz NXQWIOLPUWFALX-CQSZACIVSA-N 1 0 393.285 2.750 20 0 GFADRO [NH3+]C1(CNC(=O)C(=O)Nc2ccc(Br)cc2Cl)CCCCC1 ZINC000415296481 563766088 /nfs/dbraw/zinc/76/60/88/563766088.db2.gz UJXFFRBOFACJDD-UHFFFAOYSA-N 1 0 388.693 2.819 20 0 GFADRO COC(=O)c1ccc(S(=O)(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)cc1Cl ZINC000441981955 563766418 /nfs/dbraw/zinc/76/64/18/563766418.db2.gz BHWNUMXTGOALSZ-OAHLLOKOSA-N 1 0 390.933 2.771 20 0 GFADRO O=C(NCCNc1cccc(Br)c1)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000364846522 563766525 /nfs/dbraw/zinc/76/65/25/563766525.db2.gz IIDHJULMDLEKNR-JKSUJKDBSA-N 1 0 381.318 2.787 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2ccc(C(=O)OC)c(Cl)c2)C[C@@H]1C ZINC000441993887 563766702 /nfs/dbraw/zinc/76/67/02/563766702.db2.gz UJYBBBKFEXDPAX-QWHCGFSZSA-N 1 0 388.917 2.620 20 0 GFADRO C[NH2+][C@@H]1CCN(C(=O)C(=O)Nc2cc(Cl)ccc2SCC(F)(F)F)C1 ZINC000415306352 563766861 /nfs/dbraw/zinc/76/68/61/563766861.db2.gz WKUOAYOAZUYCBR-SNVBAGLBSA-N 1 0 395.834 2.753 20 0 GFADRO CCOC(=O)c1c(NC(=O)N2C[C@@H](C[NH3+])C[C@H]2C)sc2c1CCSC2 ZINC000415335284 563767379 /nfs/dbraw/zinc/76/73/79/563767379.db2.gz LDIAAZJYKOOJBN-GHMZBOCLSA-N 1 0 383.539 2.915 20 0 GFADRO COC(=O)c1cc(Br)ccc1NC(=O)N1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000415325024 563767443 /nfs/dbraw/zinc/76/74/43/563767443.db2.gz FMDIUDQDCGRSAA-IINYFYTJSA-N 1 0 384.274 2.969 20 0 GFADRO Cc1nc2cc(Cl)c(NC(=O)C(=O)NC3C[C@H]4CC[C@@H](C3)[NH2+]4)cc2s1 ZINC000415332174 563767479 /nfs/dbraw/zinc/76/74/79/563767479.db2.gz NIJWKKMNAVVZCN-ZACCUICWSA-N 1 0 378.885 2.596 20 0 GFADRO COC(=O)C[C@@H](NC(=O)CC[C@H]1CCC[NH2+]1)c1ccc(Br)cc1 ZINC000291980605 563767536 /nfs/dbraw/zinc/76/75/36/563767536.db2.gz YTMZMSLOOWVAJL-HUUCEWRRSA-N 1 0 383.286 2.702 20 0 GFADRO COC(=O)c1cc(Br)ccc1NC(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000415325483 563767506 /nfs/dbraw/zinc/76/75/06/563767506.db2.gz GCWGHLKUFKLVCM-NSHDSACASA-N 1 0 384.274 2.747 20 0 GFADRO COC(=O)C[C@H](NC(=O)CC[C@H]1CCC[NH2+]1)c1cccc(Br)c1 ZINC000291998067 563768303 /nfs/dbraw/zinc/76/83/03/563768303.db2.gz BWQUKBCPGYXNCE-CABCVRRESA-N 1 0 383.286 2.702 20 0 GFADRO CCOC(=O)c1c(NC(=O)NCC[C@H]2CC[NH2+]C2)sc2c1CCSC2 ZINC000415341636 563768314 /nfs/dbraw/zinc/76/83/14/563768314.db2.gz PFKFNLFNPAQNJW-LLVKDONJSA-N 1 0 383.539 2.835 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC[N@@H+]1C ZINC000442138472 563768341 /nfs/dbraw/zinc/76/83/41/563768341.db2.gz PFDKSOZHNZOHJP-KOLCDFICSA-N 1 0 377.794 2.896 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ccc(Br)cc2Cl)CC[N@@H+]1C ZINC000442156493 563768663 /nfs/dbraw/zinc/76/86/63/563768663.db2.gz XCNHVQAHHRFYBC-KOLCDFICSA-N 1 0 388.693 2.640 20 0 GFADRO CCOC(=O)c1cc(Br)ccc1NC(=O)N1CC[C@H](C[NH2+]C)C1 ZINC000415344415 563768845 /nfs/dbraw/zinc/76/88/45/563768845.db2.gz DPDVHWVMTZISSF-LLVKDONJSA-N 1 0 384.274 2.699 20 0 GFADRO C[N@@H+]1CC[C@]2(CCN(S(=O)(=O)c3cc(Cl)ccc3Br)C2)C1 ZINC000292000818 563769243 /nfs/dbraw/zinc/76/92/43/563769243.db2.gz LKDRNAHLOSEKIL-AWEZNQCLSA-N 1 0 393.734 2.819 20 0 GFADRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)Nc1cnn(-c2ccccc2Br)c1 ZINC000415350635 563769599 /nfs/dbraw/zinc/76/95/99/563769599.db2.gz GHHQYJBEZNWXIT-SMDDNHRTSA-N 1 0 378.274 2.754 20 0 GFADRO C[C@H](CO)[N@@H+]1CCCN(Cc2nc(-c3ccc(Br)cc3)c[nH]2)CC1 ZINC000364972283 563770247 /nfs/dbraw/zinc/77/02/47/563770247.db2.gz KQHXQUPZLYEAAO-CQSZACIVSA-N 1 0 393.329 2.728 20 0 GFADRO CCCN(C(=O)C(=O)Nc1cc(Cl)cc(Br)c1)[C@@H]1CC[NH2+]C1 ZINC000415399536 563772658 /nfs/dbraw/zinc/77/26/58/563772658.db2.gz YMCYJOGJCLMIHI-CYBMUJFWSA-N 1 0 388.693 2.642 20 0 GFADRO COC[C@@]1(CNC(=O)Nc2cc(F)c(Br)c(F)c2)CCC[NH2+]1 ZINC000415401000 563772678 /nfs/dbraw/zinc/77/26/78/563772678.db2.gz GMPQCVOMUHEVCV-AWEZNQCLSA-N 1 0 378.217 2.617 20 0 GFADRO CCCN(C(=O)C(=O)Nc1ccc(Cl)cc1C(F)(F)F)[C@H]1CC[NH2+]C1 ZINC000415402487 563773258 /nfs/dbraw/zinc/77/32/58/563773258.db2.gz KBCXAEOBMLFFSN-NSHDSACASA-N 1 0 377.794 2.898 20 0 GFADRO C[C@H]([NH2+][C@H](CO)c1ccc(Br)cc1)C(=O)NCc1ccccc1 ZINC000292087976 563773514 /nfs/dbraw/zinc/77/35/14/563773514.db2.gz FELZMLGBKXWHBF-SUMWQHHRSA-N 1 0 377.282 2.777 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(Br)cc2Cl)C1 ZINC000415428596 563774938 /nfs/dbraw/zinc/77/49/38/563774938.db2.gz CYKIXIAGGOSIOL-NXEZZACHSA-N 1 0 388.693 2.627 20 0 GFADRO Cc1cc(Cl)cc(NC(=O)C(=O)N[C@@H](C[NH3+])CC(C)C)c1Br ZINC000415426062 563774959 /nfs/dbraw/zinc/77/49/59/563774959.db2.gz LGMDOTTXFBHUNC-LLVKDONJSA-N 1 0 390.709 2.839 20 0 GFADRO COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000415433140 563775814 /nfs/dbraw/zinc/77/58/14/563775814.db2.gz WVONRNNEQOGMOF-AWEZNQCLSA-N 1 0 388.295 2.964 20 0 GFADRO CCOC(=O)C1(NC(=O)c2scc(C)c2Br)CC[NH+](C)CC1 ZINC000365179764 563776072 /nfs/dbraw/zinc/77/60/72/563776072.db2.gz XRICKFYCOLQDTM-UHFFFAOYSA-N 1 0 389.315 2.576 20 0 GFADRO C[C@]1(CNC(=O)Nc2ccc(S(C)(=O)=O)c(C(F)F)c2)CCC[NH2+]C1 ZINC000415447225 563776227 /nfs/dbraw/zinc/77/62/27/563776227.db2.gz XBWWMNXZLWJISM-INIZCTEOSA-N 1 0 375.441 2.539 20 0 GFADRO CS(=O)(=O)c1ccc(NC(=O)N[C@@H]2CCCC[C@H]2C[NH3+])cc1C(F)F ZINC000415450225 563776493 /nfs/dbraw/zinc/77/64/93/563776493.db2.gz ZIMTXXZXPKPWNI-GXFFZTMASA-N 1 0 375.441 2.667 20 0 GFADRO C[C@H](CCCC[NH3+])NC(=O)CCC[S@@](=O)c1ccc(Br)cc1 ZINC000292158855 563776487 /nfs/dbraw/zinc/77/64/87/563776487.db2.gz UXOVSMXZUPLXFV-MCMMXHMISA-N 1 0 389.359 2.971 20 0 GFADRO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(Br)c3ccccc23)CC[C@H]1[NH3+] ZINC000415464125 563776982 /nfs/dbraw/zinc/77/69/82/563776982.db2.gz QUQKAPCAKSRCJY-IAQYHMDHSA-N 1 0 390.281 2.737 20 0 GFADRO C[C@H]1CN(C(=O)C(=O)Nc2ccc(Br)c3ccccc23)CC[C@H]1[NH3+] ZINC000415464130 563777063 /nfs/dbraw/zinc/77/70/63/563777063.db2.gz QUQKAPCAKSRCJY-XHDPSFHLSA-N 1 0 390.281 2.737 20 0 GFADRO CC(C)([NH3+])CNC(=O)C(=O)Nc1ccc(Br)c(Cl)c1Cl ZINC000415462025 563777143 /nfs/dbraw/zinc/77/71/43/563777143.db2.gz GEDMINHMPCNXML-UHFFFAOYSA-N 1 0 383.073 2.548 20 0 GFADRO O=S(=O)(c1cccc(Cl)c1Br)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000365197528 563777269 /nfs/dbraw/zinc/77/72/69/563777269.db2.gz CMAYXCPZDVJCKW-NSHDSACASA-N 1 0 393.734 2.961 20 0 GFADRO COC(=O)c1cc(Br)c(F)cc1NC(=O)N1CCC(C[NH3+])CC1 ZINC000415472232 563777506 /nfs/dbraw/zinc/77/75/06/563777506.db2.gz VOOYJEOKAYGCRF-UHFFFAOYSA-N 1 0 388.237 2.577 20 0 GFADRO CCC([NH3+])(CC)CNC(=O)C(=O)Nc1c(C)cc(Br)cc1Cl ZINC000415477615 563778402 /nfs/dbraw/zinc/77/84/02/563778402.db2.gz XEHKRJALWMPNEI-UHFFFAOYSA-N 1 0 390.709 2.983 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N(C)CC[C@H]([NH3+])C(C)C)cc1Br ZINC000415492662 563778809 /nfs/dbraw/zinc/77/88/09/563778809.db2.gz TYKNNXDBJNFCDX-AWEZNQCLSA-N 1 0 384.318 2.836 20 0 GFADRO COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000365271070 563779732 /nfs/dbraw/zinc/77/97/32/563779732.db2.gz XSMVMRIBVORQNS-LLVKDONJSA-N 1 0 386.279 2.637 20 0 GFADRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)Nc1cc2c(cc1Br)CCC2 ZINC000415504120 563780132 /nfs/dbraw/zinc/78/01/32/563780132.db2.gz OWOLVWVCGJNKIK-HNNXBMFYSA-N 1 0 396.329 2.708 20 0 GFADRO CCOc1c(Cl)cc(NC(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)cc1Cl ZINC000415505765 563780188 /nfs/dbraw/zinc/78/01/88/563780188.db2.gz QMWXHUDLNULJIH-ZDUSSCGKSA-N 1 0 387.311 2.904 20 0 GFADRO Cn1nc(Br)cc1C(=O)N[C@@H]1c2ccccc2CC[C@H]1[NH+](C)C ZINC000365384925 563781771 /nfs/dbraw/zinc/78/17/71/563781771.db2.gz LQTSFILHGUZYIY-CZUORRHYSA-N 1 0 377.286 2.530 20 0 GFADRO CC1(C)[NH2+]CC[C@@H]1NC(=O)Nc1ccnn1Cc1ccc(Br)cc1 ZINC000415524282 563781866 /nfs/dbraw/zinc/78/18/66/563781866.db2.gz HDYIZAAETGUCME-AWEZNQCLSA-N 1 0 392.301 2.956 20 0 GFADRO C[C@H](CCC[NH3+])NC(=O)Nc1ccnn1Cc1cccc(Br)c1 ZINC000415524807 563781914 /nfs/dbraw/zinc/78/19/14/563781914.db2.gz DYGXANIFDHUZSH-GFCCVEGCSA-N 1 0 380.290 2.943 20 0 GFADRO C[C@H]1C[C@@H](C(=O)N2CCN(c3nc(-c4cccs4)cs3)CC2)CC[NH2+]1 ZINC000365412249 563782186 /nfs/dbraw/zinc/78/21/86/563782186.db2.gz DUYDDTJJFOBYQA-KBPBESRZSA-N 1 0 376.551 2.908 20 0 GFADRO C[NH2+]C[C@@H]1CCN(C(=O)Nc2ccnn2Cc2cccc(Br)c2)C1 ZINC000415528987 563782591 /nfs/dbraw/zinc/78/25/91/563782591.db2.gz REYDNSJFFDFBCK-AWEZNQCLSA-N 1 0 392.301 2.767 20 0 GFADRO COc1cc(OC)c(NC(=O)N2CC[C@@H](C)[C@@H](C[NH3+])C2)cc1Br ZINC000415527456 563782680 /nfs/dbraw/zinc/78/26/80/563782680.db2.gz IZCPQIBFTUPMHH-MNOVXSKESA-N 1 0 386.290 2.915 20 0 GFADRO [NH3+][C@H]1CCCN(C(=O)Nc2ccnn2Cc2cccc(Br)c2)C1 ZINC000415531099 563783343 /nfs/dbraw/zinc/78/33/43/563783343.db2.gz XUDCDCSDCSDUQL-AWEZNQCLSA-N 1 0 378.274 2.649 20 0 GFADRO COC(=O)c1sccc1NC(=O)C[NH2+][C@@H](C)[C@@H]1OCCc2sccc21 ZINC000292353733 563783425 /nfs/dbraw/zinc/78/34/25/563783425.db2.gz HOTYAKLAUDEKHC-BONVTDFDSA-N 1 0 380.491 2.827 20 0 GFADRO [NH3+]CC[C@@H](NC(=O)Nc1cc(Cl)ccc1OC[C@H]1CCOC1)C(F)F ZINC000415538241 563783633 /nfs/dbraw/zinc/78/36/33/563783633.db2.gz IWDOBKAXUOYEBF-CMPLNLGQSA-N 1 0 377.819 2.859 20 0 GFADRO [NH3+][C@H](CNC(=O)C(=O)Nc1ccc(Br)c(Cl)c1Cl)C1CC1 ZINC000415543453 563783682 /nfs/dbraw/zinc/78/36/82/563783682.db2.gz XKNFLEDVPHIUKW-MRVPVSSYSA-N 1 0 395.084 2.548 20 0 GFADRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)Nc1ccc(-c2ccc(Cl)s2)nc1 ZINC000415573123 563785167 /nfs/dbraw/zinc/78/51/67/563785167.db2.gz VIJSSMGGYSQXMG-WDEREUQCSA-N 1 0 378.885 2.611 20 0 GFADRO C[C@]1(CNC(=O)C(=O)Nc2ccc(Cl)cc2Br)CCC[NH2+]C1 ZINC000415588956 563785706 /nfs/dbraw/zinc/78/57/06/563785706.db2.gz YESNPNMKNCCAJA-HNNXBMFYSA-N 1 0 388.693 2.547 20 0 GFADRO CCc1n[nH]c(C(=O)N[C@@H]2C[N@H+](C)C[C@@H]2c2ccccc2)c1Br ZINC000365538094 563785793 /nfs/dbraw/zinc/78/57/93/563785793.db2.gz NMNAYASDASEEKK-TZMCWYRMSA-N 1 0 377.286 2.562 20 0 GFADRO Cc1csc(=O)n1CCC(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000365535000 563785899 /nfs/dbraw/zinc/78/58/99/563785899.db2.gz HFQICBGSUKMKTF-YOEHRIQHSA-N 1 0 379.551 2.869 20 0 GFADRO COC(=O)c1c(C)c(NC(=O)N[C@H](CC[NH3+])C(F)F)ccc1Br ZINC000415595050 563786369 /nfs/dbraw/zinc/78/63/69/563786369.db2.gz HDZCNFCQINGSOU-SNVBAGLBSA-N 1 0 394.216 2.648 20 0 GFADRO COC(=O)c1c(Br)ccc(NC(=O)N(C2CC2)[C@H]2CC[NH2+]C2)c1C ZINC000415599516 563786927 /nfs/dbraw/zinc/78/69/27/563786927.db2.gz MTGYPQMCZPZEBA-LBPRGKRZSA-N 1 0 396.285 2.902 20 0 GFADRO COC(=O)c1c(C)c(NC(=O)N2CC[C@H]([C@@H](C)[NH3+])C2)ccc1Br ZINC000415606667 563787468 /nfs/dbraw/zinc/78/74/68/563787468.db2.gz YYEVUCVCNGNXFS-MNOVXSKESA-N 1 0 384.274 2.745 20 0 GFADRO COC(=O)c1cccc(NC(=O)N2CCC([C@@H](C)[NH3+])CC2)c1Br ZINC000415608006 563787499 /nfs/dbraw/zinc/78/74/99/563787499.db2.gz LEKNPEOPECWCBW-SNVBAGLBSA-N 1 0 384.274 2.827 20 0 GFADRO NC(=O)[C@H](c1ccc(Br)cc1F)N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000365567606 563787636 /nfs/dbraw/zinc/78/76/36/563787636.db2.gz BTFANZCEGQIUPO-ISGYEWALSA-N 1 0 396.304 2.531 20 0 GFADRO COC(=O)c1cc(NC(=O)N2CC[C@H]([C@@H](C)[NH3+])C2)cc(Br)c1F ZINC000415619318 563788120 /nfs/dbraw/zinc/78/81/20/563788120.db2.gz YOMAOEWVOZLLHV-BDAKNGLRSA-N 1 0 388.237 2.576 20 0 GFADRO C[NH+](C)CC(C)(C)CN(C(=O)c1ccncn1)c1ccc(Br)cn1 ZINC000415616719 563788275 /nfs/dbraw/zinc/78/82/75/563788275.db2.gz UOEMTHKHWJAGMG-UHFFFAOYSA-N 1 0 392.301 2.869 20 0 GFADRO COC(=O)c1cc(F)c(Br)cc1NC(=O)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000415632218 563789413 /nfs/dbraw/zinc/78/94/13/563789413.db2.gz SLJURQGGJIRIAT-PRHODGIISA-N 1 0 388.237 2.576 20 0 GFADRO [NH3+][C@@H]1CCC[C@H](NC(=O)C(=O)Nc2ccc(Br)c3ccccc23)C1 ZINC000415661100 563790632 /nfs/dbraw/zinc/79/06/32/563790632.db2.gz XAXKGDYJPKQXLN-NEPJUHHUSA-N 1 0 390.281 2.927 20 0 GFADRO C[C@H]1C[C@H](NC(=O)C(=O)Nc2ccc(-c3ccc(Cl)s3)nc2)CC[NH2+]1 ZINC000415666539 563790659 /nfs/dbraw/zinc/79/06/59/563790659.db2.gz FBOPOLUBLCYYLN-WDEREUQCSA-N 1 0 378.885 2.659 20 0 GFADRO C[NH+](C)CCNC(=O)C1(Cc2ccc(F)cc2Br)CCOCC1 ZINC000292594535 563791241 /nfs/dbraw/zinc/79/12/41/563791241.db2.gz VLQLYCVMMJWHIE-UHFFFAOYSA-N 1 0 387.293 2.605 20 0 GFADRO Cc1cc(NC(=O)C(=O)N2CCC[C@@H](CC[NH3+])C2)cc(C)c1Br ZINC000415681084 563791503 /nfs/dbraw/zinc/79/15/03/563791503.db2.gz SVIXYKZIOYVRIN-ZDUSSCGKSA-N 1 0 382.302 2.592 20 0 GFADRO C[C@@H]1CCCN(C(=O)Nc2ccc3nccnc3c2Br)[C@H]1C[NH3+] ZINC000415706686 563791969 /nfs/dbraw/zinc/79/19/69/563791969.db2.gz MTGRFEBUGXSFQU-MFKMUULPSA-N 1 0 378.274 2.983 20 0 GFADRO COC(=O)c1cc(NC(=O)NC2(C[NH3+])CCCC2)c(C)cc1Br ZINC000415706687 563792112 /nfs/dbraw/zinc/79/21/12/563792112.db2.gz LPXKEWNWUQGIDL-UHFFFAOYSA-N 1 0 384.274 2.937 20 0 GFADRO COC(=O)c1cc(NC(=O)N2C[C@@H](C[NH3+])C[C@@H]2C)c(C)cc1Br ZINC000415709054 563792811 /nfs/dbraw/zinc/79/28/11/563792811.db2.gz OUASMZAXMRBGPS-WDEREUQCSA-N 1 0 384.274 2.745 20 0 GFADRO O=C(CCN1CC[NH+]([C@@H]2CCSC2)CC1)Nc1cccc(Br)c1 ZINC000365867175 563795128 /nfs/dbraw/zinc/79/51/28/563795128.db2.gz KLYVZPZTCPVXIE-MRXNPFEDSA-N 1 0 398.370 2.901 20 0 GFADRO COc1cc(I)ccc1NC(=O)N[C@H](C[NH3+])CC(C)C ZINC000415770149 563795728 /nfs/dbraw/zinc/79/57/28/563795728.db2.gz GCAFGICVTQZHNI-NSHDSACASA-N 1 0 391.253 2.795 20 0 GFADRO COc1cc(I)ccc1NC(=O)N1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000415771594 563795770 /nfs/dbraw/zinc/79/57/70/563795770.db2.gz IBFLSHSFEXCZNC-ZJUUUORDSA-N 1 0 389.237 2.501 20 0 GFADRO COC(=O)[C@@H]1CCO[C@H]1C1CCN(Cc2cc(O)ccc2Br)CC1 ZINC000292793195 563795775 /nfs/dbraw/zinc/79/57/75/563795775.db2.gz MSDKZZRBOPWFFG-WBVHZDCISA-N 1 0 398.297 2.945 20 0 GFADRO [NH3+]CC[C@H](NC(=O)C(=O)Nc1ccc(-c2ccc(Cl)s2)nc1)C(F)F ZINC000415790158 563797013 /nfs/dbraw/zinc/79/70/13/563797013.db2.gz QJXSCJFVMNLQBD-JTQLQIEISA-N 1 0 388.827 2.501 20 0 GFADRO CNC(=O)[C@H]1CCC[N@H+](C[C@@](C)(O)c2ccc(Br)cc2Cl)C1 ZINC000292964612 563797297 /nfs/dbraw/zinc/79/72/97/563797297.db2.gz CZXSOGOCEKTJER-MEDUHNTESA-N 1 0 389.721 2.768 20 0 GFADRO [NH3+][C@H]1CCN(C(=O)Nc2cnn(Cc3ccc(Br)cc3Cl)c2)C1 ZINC000415813458 563797553 /nfs/dbraw/zinc/79/75/53/563797553.db2.gz BTEQXROIFWCCLD-LBPRGKRZSA-N 1 0 398.692 2.912 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H](CNC(=O)C(=O)Nc2ccc(Br)cc2Cl)C1 ZINC000415813594 563797616 /nfs/dbraw/zinc/79/76/16/563797616.db2.gz QIMUMTYSPPMELP-MWLCHTKSSA-N 1 0 388.693 2.675 20 0 GFADRO CC1(C)CN(C(=O)C(=O)Nc2ccc(-c3ccc(Cl)s3)nc2)CC[NH2+]1 ZINC000415815559 563798501 /nfs/dbraw/zinc/79/85/01/563798501.db2.gz LMZVAWVIBRJPOA-UHFFFAOYSA-N 1 0 378.885 2.612 20 0 GFADRO [NH3+]C[C@H](NC(=O)C(=O)Nc1cccc(Cl)c1Br)C1CCCC1 ZINC000415828307 563799187 /nfs/dbraw/zinc/79/91/87/563799187.db2.gz BHZFOTCXIDPNSP-LBPRGKRZSA-N 1 0 388.693 2.675 20 0 GFADRO Cc1cc(Br)cc(Cl)c1NC(=O)C(=O)NCCC[NH2+]C1CC1 ZINC000415858949 563799620 /nfs/dbraw/zinc/79/96/20/563799620.db2.gz LXTGPSAVFQHBNO-UHFFFAOYSA-N 1 0 388.693 2.608 20 0 GFADRO Cc1nnc([C@H]2CC23CC[NH+](Cc2c(Br)c(C)nn2C)CC3)o1 ZINC000366174623 563800729 /nfs/dbraw/zinc/80/07/29/563800729.db2.gz ZJRLMWRPHQPZKC-GFCCVEGCSA-N 1 0 380.290 2.952 20 0 GFADRO [NH3+]CC[C@@H](NC(=O)NC1(c2ccc(Cl)cc2)CCOCC1)C(F)(F)F ZINC000416002992 563801640 /nfs/dbraw/zinc/80/16/40/563801640.db2.gz GBZGQQUOCNAOOZ-CYBMUJFWSA-N 1 0 379.810 2.925 20 0 GFADRO [NH3+]CC[C@H](NC(=O)N(CCO)Cc1ccc(Cl)c(Cl)c1)C(F)(F)F ZINC000416002391 563801761 /nfs/dbraw/zinc/80/17/61/563801761.db2.gz DSOKSJYVXBYKIB-LBPRGKRZSA-N 1 0 388.217 2.777 20 0 GFADRO C[C@H](O)[C@H]1C[C@H](C)CC[N@@H+]1CC(=O)N(C)Cc1ccccc1Br ZINC000443340647 563802185 /nfs/dbraw/zinc/80/21/85/563802185.db2.gz AZDRFFKQYHBUAB-JKIFEVAISA-N 1 0 383.330 2.889 20 0 GFADRO [NH3+]CC[C@H](NC(=O)N[C@]1(Cc2ccc(Cl)cc2)CCOC1)C(F)(F)F ZINC000416038647 563803651 /nfs/dbraw/zinc/80/36/51/563803651.db2.gz DZCQPTBNNVTRKL-ZFWWWQNUSA-N 1 0 379.810 2.621 20 0 GFADRO [NH3+]CC[C@@H](NC(=O)N[C@]1(Cc2ccc(Cl)cc2)CCOC1)C(F)(F)F ZINC000416038645 563803737 /nfs/dbraw/zinc/80/37/37/563803737.db2.gz DZCQPTBNNVTRKL-HIFRSBDPSA-N 1 0 379.810 2.621 20 0 GFADRO O=S(=O)(c1cc(Cl)c(Br)cc1F)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000366289754 563804262 /nfs/dbraw/zinc/80/42/62/563804262.db2.gz SIGGDRPZBBVBLD-PELKAZGASA-N 1 0 397.697 2.614 20 0 GFADRO C[N@@H+]1CC[C@]2(CCN(C(=O)NCc3c(F)cc(Br)cc3F)C2)C1 ZINC000366307581 563804948 /nfs/dbraw/zinc/80/49/48/563804948.db2.gz UDIIYEVBEKVEIQ-INIZCTEOSA-N 1 0 388.256 2.965 20 0 GFADRO COc1ccc(Br)cc1C1(C(=O)NCC2=CC[N@H+](C)CC2)CC1 ZINC000416193646 563808952 /nfs/dbraw/zinc/80/89/52/563808952.db2.gz SDCZCSPORMFXOP-UHFFFAOYSA-N 1 0 379.298 2.867 20 0 GFADRO C[C@@H]1C[NH+](CCCCNC(=O)c2[nH]nc(C3CC3)c2Br)C[C@@H](C)O1 ZINC000443670126 563809538 /nfs/dbraw/zinc/80/95/38/563809538.db2.gz CHDSOEAMGMKYIG-VXGBXAGGSA-N 1 0 399.333 2.669 20 0 GFADRO C[C@@H](NC(=O)NC[C@@H](O)C[NH+]1CCCCC1)c1ccc(Br)s1 ZINC000443737708 563811032 /nfs/dbraw/zinc/81/10/32/563811032.db2.gz PJWVXKWZKPORFD-VXGBXAGGSA-N 1 0 390.347 2.718 20 0 GFADRO O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)c1cc(COc2c(Cl)cccc2Cl)on1 ZINC000366558320 563813515 /nfs/dbraw/zinc/81/35/15/563813515.db2.gz VPLHFGSJDGQKAZ-UWVGGRQHSA-N 1 0 388.226 2.990 20 0 GFADRO C[NH+](C)C1(CNC(=O)c2nn(-c3ccc(F)cc3)cc2Br)CC1 ZINC000416302003 563814186 /nfs/dbraw/zinc/81/41/86/563814186.db2.gz MQSFVDLKVAKECQ-UHFFFAOYSA-N 1 0 381.249 2.598 20 0 GFADRO COCCCn1nccc1C[NH2+]CCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000293530718 563817249 /nfs/dbraw/zinc/81/72/49/563817249.db2.gz WZWKDTKLKUGXAV-UHFFFAOYSA-N 1 0 385.917 2.527 20 0 GFADRO CCOc1c(Br)cc(C[NH2+]CC2(O)CC(OCC)C2)cc1OC ZINC000444008309 563817794 /nfs/dbraw/zinc/81/77/94/563817794.db2.gz KDIBDTZTUONORN-UHFFFAOYSA-N 1 0 388.302 2.876 20 0 GFADRO COc1cc(OC)c(S(=O)(=O)NCC2([NH+](C)C)CCCCC2)cc1Cl ZINC000416366230 563818402 /nfs/dbraw/zinc/81/84/02/563818402.db2.gz CNRMIVBGNAFJDR-UHFFFAOYSA-N 1 0 390.933 2.900 20 0 GFADRO CC[NH+]1CCC(N(C(=O)c2cncc(I)c2)C2CC2)CC1 ZINC000366762754 563819222 /nfs/dbraw/zinc/81/92/22/563819222.db2.gz XIDSDGYBDANGQS-UHFFFAOYSA-N 1 0 399.276 2.775 20 0 GFADRO COc1ccc(CC[NH2+][C@@H](C)C2CCS(=O)(=O)CC2)c(Cl)c1OC ZINC000293676961 563820787 /nfs/dbraw/zinc/82/07/87/563820787.db2.gz KBAOWSAMFRQPRD-LBPRGKRZSA-N 1 0 375.918 2.703 20 0 GFADRO C[C@H]([NH2+]Cc1ccnc(Br)c1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000293684944 563821815 /nfs/dbraw/zinc/82/18/15/563821815.db2.gz BHYYMSPLCKSRHK-LBPRGKRZSA-N 1 0 398.326 2.945 20 0 GFADRO CN(C(=O)C[NH2+]C1(Cc2ccc(F)cc2Br)CCOCC1)C1CC1 ZINC000293726471 563822409 /nfs/dbraw/zinc/82/24/09/563822409.db2.gz YWTVEVMXFITZTL-UHFFFAOYSA-N 1 0 399.304 2.890 20 0 GFADRO COCC[N@@H+]1CC[C@H](NC(=O)c2ccc(Br)c(Cl)c2F)C1 ZINC000444177780 563823316 /nfs/dbraw/zinc/82/33/16/563823316.db2.gz SSMPDIHAOIWPGZ-VIFPVBQESA-N 1 0 379.657 2.692 20 0 GFADRO CSCC[C@H]1NC(=S)N(C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)C1=O ZINC000366883401 563823554 /nfs/dbraw/zinc/82/35/54/563823554.db2.gz UNGPZUGPYXPHCN-WXRRBKDZSA-N 1 0 395.516 2.630 20 0 GFADRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)c3cc(-c4ccc(Cl)s4)on3)[C@H]2C1 ZINC000293799067 563824207 /nfs/dbraw/zinc/82/42/07/563824207.db2.gz DGPVOCYGTQIKMV-QWHCGFSZSA-N 1 0 381.885 2.992 20 0 GFADRO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]Cc2ccnc(Br)c2)c1 ZINC000293823669 563824658 /nfs/dbraw/zinc/82/46/58/563824658.db2.gz PCYYJOGIMSTRBQ-LLVKDONJSA-N 1 0 384.299 2.603 20 0 GFADRO C[N@@H+]1CCC[C@]2(CCN(C(=O)c3n[nH]c4ccc(Br)cc43)C2)C1 ZINC000293810415 563824801 /nfs/dbraw/zinc/82/48/01/563824801.db2.gz AQNAHODVEUOQJC-KRWDZBQOSA-N 1 0 377.286 2.883 20 0 GFADRO C[C@H]1C[C@@H](NC(=O)c2cnc3ccc(Br)cc3c2O)CC[N@@H+]1C ZINC000444259014 563825497 /nfs/dbraw/zinc/82/54/97/563825497.db2.gz JGJILPUJLRGFNG-JQWIXIFHSA-N 1 0 378.270 2.503 20 0 GFADRO O=C(CCc1nc(-c2cc(Br)cs2)no1)NCC[C@H]1CCC[NH2+]1 ZINC000444274074 563826586 /nfs/dbraw/zinc/82/65/86/563826586.db2.gz XFOCTWHSQBELAX-LLVKDONJSA-N 1 0 399.314 2.752 20 0 GFADRO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)N1CCC=C(Br)C1 ZINC000367011526 563827447 /nfs/dbraw/zinc/82/74/47/563827447.db2.gz SHPYFZCSVCFOQJ-PBHICJAKSA-N 1 0 393.329 2.986 20 0 GFADRO O=C(c1c[nH]c2cccc(Br)c12)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000367060214 563829314 /nfs/dbraw/zinc/82/93/14/563829314.db2.gz OTOUBLANVFIEIT-HOTGVXAUSA-N 1 0 392.297 2.602 20 0 GFADRO C[C@H]1CC(=O)NCCN1Cc1ccnc(-c2ccc(Br)cc2)n1 ZINC000367103673 563831241 /nfs/dbraw/zinc/83/12/41/563831241.db2.gz QITOOFAIYXFSJZ-LBPRGKRZSA-N 1 0 375.270 2.617 20 0 GFADRO CN(C)CC[N@H+](C)CCCN(C)C(=O)Nc1ccc(F)cc1Br ZINC000294106014 563831822 /nfs/dbraw/zinc/83/18/22/563831822.db2.gz CURNGOWYMINTOL-UHFFFAOYSA-N 1 0 389.313 2.935 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2cc(Cl)c(OC)cc2OC)C[C@H]1C ZINC000416459899 563832264 /nfs/dbraw/zinc/83/22/64/563832264.db2.gz KYBVJXKQSHFBQL-OLZOCXBDSA-N 1 0 390.933 2.851 20 0 GFADRO COc1cc(OC)c(S(=O)(=O)N[C@H](C)C[NH+]2CCCCC2)cc1Cl ZINC000416470633 563833696 /nfs/dbraw/zinc/83/36/96/563833696.db2.gz HZRWWBJCKSLZFQ-GFCCVEGCSA-N 1 0 376.906 2.510 20 0 GFADRO C[N@@H+]1CCC[C@]2(CCN(C(=O)c3cn4ccc(Br)cc4n3)C2)C1 ZINC000294209705 563834803 /nfs/dbraw/zinc/83/48/03/563834803.db2.gz QNRGSSVIVVCAOP-KRWDZBQOSA-N 1 0 377.286 2.655 20 0 GFADRO CSc1ccc([C@@H](CNC(=O)c2nn(C)cc2Br)[NH+](C)C)cc1 ZINC000294230594 563835299 /nfs/dbraw/zinc/83/52/99/563835299.db2.gz DLFXSLDITOHYQH-CQSZACIVSA-N 1 0 397.342 2.937 20 0 GFADRO O=C(C[N@H+]1CC[C@H](CC(F)(F)F)C1)N1CCN(Cc2cccs2)CC1 ZINC000444706847 563835928 /nfs/dbraw/zinc/83/59/28/563835928.db2.gz OWUXNRSMWNDHNV-CQSZACIVSA-N 1 0 375.460 2.667 20 0 GFADRO CCCC[N@H+](C)C[C@H](C)NS(=O)(=O)c1cccc(Cl)c1C(=O)OC ZINC000416484422 563836367 /nfs/dbraw/zinc/83/63/67/563836367.db2.gz TUDYXKCLCHIWRP-LBPRGKRZSA-N 1 0 376.906 2.525 20 0 GFADRO Cc1ccc(C[NH2+]C[C@@H]2CCC[C@@]23NC(=O)N(C)C3=O)cc1Br ZINC000367209615 563836399 /nfs/dbraw/zinc/83/63/99/563836399.db2.gz SKWWCOMYSODTEV-SUMWQHHRSA-N 1 0 380.286 2.568 20 0 GFADRO COC(=O)[C@H](c1ccc(Cl)cc1Cl)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000444757232 563836873 /nfs/dbraw/zinc/83/68/73/563836873.db2.gz DODPNHHODFPQTR-LRDDRELGSA-N 1 0 389.323 2.985 20 0 GFADRO COc1cc(OC)c(S(=O)(=O)N2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)cc1Cl ZINC000416486045 563837227 /nfs/dbraw/zinc/83/72/27/563837227.db2.gz HJVKPPFRCZJNAF-GXTWGEPZSA-N 1 0 388.917 2.605 20 0 GFADRO COc1cc(OC)c(S(=O)(=O)NCCCCC[NH+]2CCCC2)cc1Cl ZINC000416490183 563837916 /nfs/dbraw/zinc/83/79/16/563837916.db2.gz TUYJOWJVQHTZBC-UHFFFAOYSA-N 1 0 390.933 2.902 20 0 GFADRO C[N@@H+]1CCC[C@]2(CCN(C(=O)C3(c4cncc(Br)c4)CC3)C2)C1 ZINC000294329888 563838847 /nfs/dbraw/zinc/83/88/47/563838847.db2.gz XLCXMAJNNFSGCR-KRWDZBQOSA-N 1 0 378.314 2.820 20 0 GFADRO CC[NH+](CC)CCNC(=O)NCc1cnn(-c2ccc(Br)cc2)c1 ZINC000444888020 563838841 /nfs/dbraw/zinc/83/88/41/563838841.db2.gz PDGQIQCJSGNOSK-UHFFFAOYSA-N 1 0 394.317 2.776 20 0 GFADRO CS(=O)(=O)N1CC[C@H](C[N@@H+]2CCc3sccc3[C@H]2c2ccccc2)C1 ZINC000367273426 563839194 /nfs/dbraw/zinc/83/91/94/563839194.db2.gz CSQSBLGCDVPFDQ-DNVCBOLYSA-N 1 0 376.547 2.977 20 0 GFADRO CS(=O)(=O)N1CC[C@@H](C[NH2+][C@@H](c2cccc(Cl)c2)c2ccccn2)C1 ZINC000367275006 563839283 /nfs/dbraw/zinc/83/92/83/563839283.db2.gz QTHBCCGMSKVUFH-KSSFIOAISA-N 1 0 379.913 2.696 20 0 GFADRO Cc1cc(S(=O)(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c(F)cc1Br ZINC000416499572 563839351 /nfs/dbraw/zinc/83/93/51/563839351.db2.gz ZFDGDTHZSCATMI-YOGCLGLASA-N 1 0 391.306 2.800 20 0 GFADRO CSc1ccc([C@@H](CNC(=O)C(=O)Nc2ncc(C)s2)[NH+](C)C)cc1 ZINC000294455396 563843118 /nfs/dbraw/zinc/84/31/18/563843118.db2.gz HBYOXFFCICNOEO-CQSZACIVSA-N 1 0 378.523 2.531 20 0 GFADRO COc1ccc(CC[NH2+][C@@H]2CCC[C@H](S(C)(=O)=O)C2)cc1OC(F)F ZINC000294456706 563843340 /nfs/dbraw/zinc/84/33/40/563843340.db2.gz YRAUOCKKOAFLLQ-KGLIPLIRSA-N 1 0 377.453 2.785 20 0 GFADRO CC[N@@H+]1CC[C@@H](CNC(=O)c2ccc(I)cc2F)C1 ZINC000294486616 563843593 /nfs/dbraw/zinc/84/35/93/563843593.db2.gz JQABJBUUZPYRTH-JTQLQIEISA-N 1 0 376.213 2.502 20 0 GFADRO O=C1C[C@H]([C@H]2CCCC[N@H+]2Cc2cccc(I)c2)CN1 ZINC000367434984 563844293 /nfs/dbraw/zinc/84/42/93/563844293.db2.gz ANLPOXBQUUFTHB-DZGCQCFKSA-N 1 0 384.261 2.782 20 0 GFADRO C[C@@H]1CN(c2nc(C(Cl)(Cl)Cl)ns2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000367435644 563844330 /nfs/dbraw/zinc/84/43/30/563844330.db2.gz ODILHSXJUJWPBL-MNOVXSKESA-N 1 0 398.791 2.827 20 0 GFADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)c1cc2ccc(Br)cc2s1 ZINC000294509770 563845123 /nfs/dbraw/zinc/84/51/23/563845123.db2.gz GASPQTFEPYYLAJ-ZDUSSCGKSA-N 1 0 382.327 2.639 20 0 GFADRO C[NH+](C)CCN(Cc1ccsc1)S(=O)(=O)c1cc(F)c(F)cc1F ZINC000416548228 563846253 /nfs/dbraw/zinc/84/62/53/563846253.db2.gz BHVXFXVONGYUDO-UHFFFAOYSA-N 1 0 378.441 2.918 20 0 GFADRO CCN(Cc1ccccc1)S(=O)(=O)N(CC[NH+](C)C)Cc1ccsc1 ZINC000416547632 563846369 /nfs/dbraw/zinc/84/63/69/563846369.db2.gz ABIWMTQZAFKBQR-UHFFFAOYSA-N 1 0 381.567 2.879 20 0 GFADRO C[N@@H+]1CCC[C@H](CCNS(=O)(=O)Cc2cccc(Br)c2)C1 ZINC000416550684 563846888 /nfs/dbraw/zinc/84/68/88/563846888.db2.gz FXXZDYQKAQRBGH-CYBMUJFWSA-N 1 0 375.332 2.600 20 0 GFADRO O=S1(=O)CC[C@H]2C[N@@H+](CCCCOc3ccccc3C(F)(F)F)C[C@H]21 ZINC000367597302 563849937 /nfs/dbraw/zinc/84/99/37/563849937.db2.gz BMEAVAAHGDEOGI-XJKSGUPXSA-N 1 0 377.428 2.983 20 0 GFADRO COCCC[NH+]1CCC(NC(=O)[C@@H](O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000294660883 563850057 /nfs/dbraw/zinc/85/00/57/563850057.db2.gz VIBIZQFZZNKQDK-INIZCTEOSA-N 1 0 375.296 2.644 20 0 GFADRO Cc1cc(C[NH2+]C[C@@H]2CCN(S(=O)(=O)c3cccs3)C2)cc(C)c1O ZINC000367688127 563852077 /nfs/dbraw/zinc/85/20/77/563852077.db2.gz OBOACVIVRNOJMN-HNNXBMFYSA-N 1 0 380.535 2.871 20 0 GFADRO O=C(N[C@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)c1c[nH]c(=O)c(Br)c1 ZINC000367943243 563860303 /nfs/dbraw/zinc/86/03/03/563860303.db2.gz RWANRPQYBKIEQD-HIFRSBDPSA-N 1 0 394.244 2.564 20 0 GFADRO COc1ccc([C@@H](C)NC(=O)N[C@H]2C[NH2+]CCC2(F)F)cc1Br ZINC000416885730 563862252 /nfs/dbraw/zinc/86/22/52/563862252.db2.gz FVEZTQKRBOGLPK-RNCFNFMXSA-N 1 0 392.244 2.815 20 0 GFADRO CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000446407779 563863806 /nfs/dbraw/zinc/86/38/06/563863806.db2.gz BVLHOCQWVBQJGO-WWGRRREGSA-N 1 0 383.945 2.578 20 0 GFADRO O=S(=O)(c1ccc(F)cc1C(F)(F)F)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000368108270 563863839 /nfs/dbraw/zinc/86/38/39/563863839.db2.gz JEBIAWOSGUEHAT-LBPRGKRZSA-N 1 0 380.407 2.855 20 0 GFADRO Cc1ccc(S(=O)(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)c(Br)c1 ZINC000368127115 563864732 /nfs/dbraw/zinc/86/47/32/563864732.db2.gz VWHDXWAKOSGXIY-CQSZACIVSA-N 1 0 387.343 2.768 20 0 GFADRO COC(=O)[C@@H]1CN(C(=O)Nc2cccc(C(F)F)c2Cl)CC[N@H+](C)C1 ZINC000416994016 563865396 /nfs/dbraw/zinc/86/53/96/563865396.db2.gz NAGSVOKBYXWUDS-JTQLQIEISA-N 1 0 375.803 2.846 20 0 GFADRO Cc1cc(Br)oc1C(=O)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000368234160 563866691 /nfs/dbraw/zinc/86/66/91/563866691.db2.gz JGPKPTDDXWQYIT-UHFFFAOYSA-N 1 0 398.345 2.840 20 0 GFADRO CO[C@@H]1CCN(C(=O)NCC(C)(C)c2ccc(Br)cc2)[C@@H](C[NH3+])C1 ZINC000417113266 563868109 /nfs/dbraw/zinc/86/81/09/563868109.db2.gz FPRFYCJTEHRAJB-HZPDHXFCSA-N 1 0 398.345 2.874 20 0 GFADRO O=C(c1cc(Br)c2c(c1)OCCO2)N1CCC[C@@H]2C[NH2+]CCC[C@@H]21 ZINC000368444114 563871104 /nfs/dbraw/zinc/87/11/04/563871104.db2.gz BFQPBUJALAVDEA-DOMZBBRYSA-N 1 0 395.297 2.825 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)c3cc(F)ccc3I)C[C@H]21 ZINC000368482424 563872426 /nfs/dbraw/zinc/87/24/26/563872426.db2.gz MODWDXAIBICPPX-GAJTVXKRSA-N 1 0 388.224 2.630 20 0 GFADRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)NCCC(=O)Nc1ccc(Br)cc1 ZINC000417225337 563874220 /nfs/dbraw/zinc/87/42/20/563874220.db2.gz NRDGZBIONDGCDF-WFASDCNBSA-N 1 0 397.317 2.594 20 0 GFADRO C[C@H](CCC[NH3+])NC(=O)NC[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000417262350 563875752 /nfs/dbraw/zinc/87/57/52/563875752.db2.gz NEDHLTVMIBNZCL-ZIAGYGMSSA-N 1 0 383.334 2.702 20 0 GFADRO C[C@@H]1CN(C(=O)NC[C@@H]2CCN(c3cccc(Br)c3)C2)[C@@H](C)C[NH2+]1 ZINC000417263545 563875900 /nfs/dbraw/zinc/87/59/00/563875900.db2.gz QFXHODOOHLUPNK-ILXRZTDVSA-N 1 0 395.345 2.667 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000368722976 563877694 /nfs/dbraw/zinc/87/76/94/563877694.db2.gz UMWDVRNTWKGCIN-GJZGRUSLSA-N 1 0 384.567 2.609 20 0 GFADRO Cc1sc(CNC(=O)N2CCO[C@H](C[NH3+])C2)nc1-c1ccc(Cl)cc1 ZINC000417321143 563878020 /nfs/dbraw/zinc/87/80/20/563878020.db2.gz BJWHJUWLJUQGSA-CQSZACIVSA-N 1 0 380.901 2.641 20 0 GFADRO C[C@@H]1C[C@H](C[NH3+])CN1S(=O)(=O)c1c(Cl)cc(F)cc1Br ZINC000447256094 563878306 /nfs/dbraw/zinc/87/83/06/563878306.db2.gz JPYJXGWMKSCHKF-HTQZYQBOSA-N 1 0 385.686 2.599 20 0 GFADRO Cc1cc(S(=O)(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c(C)cc1Br ZINC000447252280 563878477 /nfs/dbraw/zinc/87/84/77/563878477.db2.gz QXHQRASNHQOYFT-KCQAQPDRSA-N 1 0 387.343 2.814 20 0 GFADRO C[NH2+]C[C@H]1CCCN1C(=O)NCc1cc(Br)ccc1OC(F)F ZINC000417402827 563879208 /nfs/dbraw/zinc/87/92/08/563879208.db2.gz FNIRMPBTCMQDFH-GFCCVEGCSA-N 1 0 392.244 2.944 20 0 GFADRO O=S(=O)(Cc1ccc(Cl)nc1)NC1CC[NH+](Cc2cccs2)CC1 ZINC000368849696 563880009 /nfs/dbraw/zinc/88/00/09/563880009.db2.gz DSISSNDTGSIZHK-UHFFFAOYSA-N 1 0 385.942 2.881 20 0 GFADRO C[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000417422937 563880104 /nfs/dbraw/zinc/88/01/04/563880104.db2.gz LZTGGIBZKXWABS-CJNGLKHVSA-N 1 0 385.339 2.614 20 0 GFADRO C[C@@H](CC[NH3+])NC(=O)NCC1(c2ccc(Br)cc2)CCOCC1 ZINC000417427769 563880107 /nfs/dbraw/zinc/88/01/07/563880107.db2.gz JQGWZNLJHOVGNA-ZDUSSCGKSA-N 1 0 384.318 2.534 20 0 GFADRO CC(C)(CNC(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1)c1cccc(Br)c1 ZINC000417434925 563880112 /nfs/dbraw/zinc/88/01/12/563880112.db2.gz XZXTXDWUESDKSY-UONOGXRCSA-N 1 0 380.330 2.978 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2C(=O)Cc1ccc(F)cc1Br ZINC000368886257 563881034 /nfs/dbraw/zinc/88/10/34/563881034.db2.gz BJNUWJPANZCHLN-DJIMGWMZSA-N 1 0 399.304 2.841 20 0 GFADRO Cc1cc(Br)cc(NC(=O)C(=O)NCC[N@@H+]2CCCC(C)(C)C2)c1 ZINC000447425459 563881727 /nfs/dbraw/zinc/88/17/27/563881727.db2.gz DSBXMRDGYKQFOF-UHFFFAOYSA-N 1 0 396.329 2.934 20 0 GFADRO CCOC1CC(O)(C[NH2+][C@H](C)c2ccc(I)cc2)C1 ZINC000447562021 563883079 /nfs/dbraw/zinc/88/30/79/563883079.db2.gz ZKGDJYHUERZOSQ-VCANKDNSSA-N 1 0 375.250 2.872 20 0 GFADRO CN1CC[NH+](C[C@@H]2CCCN(C(=O)c3ccc(Br)s3)C2)CC1 ZINC000368980272 563883720 /nfs/dbraw/zinc/88/37/20/563883720.db2.gz ZYSLGOXCSSINJC-ZDUSSCGKSA-N 1 0 386.359 2.610 20 0 GFADRO O=S1(=O)CC[C@@H]([NH2+]C2CCN(CC3CCC(C(F)(F)F)CC3)CC2)C1 ZINC000369004393 563884126 /nfs/dbraw/zinc/88/41/26/563884126.db2.gz XIKRQXUCNXLTTJ-ZBCRRDGASA-N 1 0 382.492 2.596 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H](NC(=O)N[C@@H]2CCN(c3ccccc3Br)C2)C1 ZINC000417590428 563885054 /nfs/dbraw/zinc/88/50/54/563885054.db2.gz BPVKSDFFDJKUCJ-MGPQQGTHSA-N 1 0 381.318 2.597 20 0 GFADRO O=C(NCCCc1ccc(Br)cc1F)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000417680520 563886853 /nfs/dbraw/zinc/88/68/53/563886853.db2.gz NULZCYPESPECAZ-UONOGXRCSA-N 1 0 384.293 2.772 20 0 GFADRO CO[C@@H]1CCN(C(=O)NCC2(c3ccccc3Br)CC2)[C@@H](C[NH3+])C1 ZINC000417724531 563887286 /nfs/dbraw/zinc/88/72/86/563887286.db2.gz DWCPDUYXXZNPPM-ZIAGYGMSSA-N 1 0 396.329 2.628 20 0 GFADRO Cc1cc(C[N@@H+]2CCC[C@@H](C(=O)Nc3ccc(Br)cn3)C2)n(C)n1 ZINC000417725050 563887532 /nfs/dbraw/zinc/88/75/32/563887532.db2.gz INKNFCSNPAYNHE-CYBMUJFWSA-N 1 0 392.301 2.737 20 0 GFADRO CCC[NH+]1CCN(C2CCN(C(=O)c3oc(Br)cc3C)CC2)CC1 ZINC000369155357 563888101 /nfs/dbraw/zinc/88/81/01/563888101.db2.gz DESJSKRHCKUOLT-UHFFFAOYSA-N 1 0 398.345 2.983 20 0 GFADRO O=C(NCCOc1ncc(C(F)(F)F)cc1Cl)NCC[C@H]1CCC[NH2+]1 ZINC000417742717 563888551 /nfs/dbraw/zinc/88/85/51/563888551.db2.gz WOFNTZVLXXCZDF-LLVKDONJSA-N 1 0 380.798 2.574 20 0 GFADRO C[C@@H](CNC(=O)NCCC1=CC[NH2+]CC1)Oc1ccc(Br)cc1 ZINC000417770024 563888580 /nfs/dbraw/zinc/88/85/80/563888580.db2.gz FALMVTCTWFQPRI-ZDUSSCGKSA-N 1 0 382.302 2.825 20 0 GFADRO COc1cc(Cl)c(S(=O)(=O)NCC(C)(C)C[NH+]2CCCC2)cc1OC ZINC000447870040 563888929 /nfs/dbraw/zinc/88/89/29/563888929.db2.gz WQGVVVQOWWWQEJ-UHFFFAOYSA-N 1 0 390.933 2.758 20 0 GFADRO O=C1CCCN1CCC[NH2+]Cc1ccc(F)cc1I ZINC000417831257 563890281 /nfs/dbraw/zinc/89/02/81/563890281.db2.gz CSEQOLOVLBSMOI-UHFFFAOYSA-N 1 0 376.213 2.532 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)NCCOc2c(Cl)cc(Cl)cc2Cl)CCCO1 ZINC000417839755 563890333 /nfs/dbraw/zinc/89/03/33/563890333.db2.gz OAMWRRUAFXZYFK-NSHDSACASA-N 1 0 396.702 2.785 20 0 GFADRO C[C@@H](NC(=O)N[C@H](C[NH3+])C1CC1)c1nc(-c2ccc(Br)cc2)no1 ZINC000417883009 563890364 /nfs/dbraw/zinc/89/03/64/563890364.db2.gz DXMICBDOHCHLPW-NOZJJQNGSA-N 1 0 394.273 2.597 20 0 GFADRO C[C@H](C[NH3+])N(C)C(=O)N[C@@H](C)c1nc(-c2ccc(Br)cc2)no1 ZINC000417882320 563890527 /nfs/dbraw/zinc/89/05/27/563890527.db2.gz DQLWISNIEIEATL-ZJUUUORDSA-N 1 0 382.262 2.549 20 0 GFADRO C[C@@H](Cc1ccc(F)c(Br)c1)NC(=O)N[C@H](CC[NH3+])C(F)F ZINC000417893778 563890990 /nfs/dbraw/zinc/89/09/90/563890990.db2.gz FGUKUSBNBLSJSK-QPUJVOFHSA-N 1 0 382.224 2.801 20 0 GFADRO C[N@@H+]1CCCC(C)(C)[C@H]1CNS(=O)(=O)c1cc2c(cc1Cl)OCCO2 ZINC000447939740 563891035 /nfs/dbraw/zinc/89/10/35/563891035.db2.gz LYOLXVCKOVLHJH-MRXNPFEDSA-N 1 0 388.917 2.510 20 0 GFADRO CO[C@@H]1CCN(C(=O)NCC(C)(C)c2ccccc2Br)[C@H](C[NH3+])C1 ZINC000417906617 563891518 /nfs/dbraw/zinc/89/15/18/563891518.db2.gz CIBDVCNOAIIZQO-UONOGXRCSA-N 1 0 398.345 2.874 20 0 GFADRO COC[C@@]1(CNC(=O)NCC(C)(C)c2ccccc2Br)CCC[NH2+]1 ZINC000417913530 563891658 /nfs/dbraw/zinc/89/16/58/563891658.db2.gz QLDBHUJHCBHGON-SFHVURJKSA-N 1 0 398.345 2.795 20 0 GFADRO C[C@H]([NH3+])CCNC(=O)NCCOc1ccc(Br)cc1C(F)(F)F ZINC000417951330 563892276 /nfs/dbraw/zinc/89/22/76/563892276.db2.gz LIGYRWLIPKDHKG-VIFPVBQESA-N 1 0 398.223 2.883 20 0 GFADRO C[C@H]([NH3+])[C@H](C)NC(=O)NCCOc1ccc(Br)cc1C(F)(F)F ZINC000417957947 563892879 /nfs/dbraw/zinc/89/28/79/563892879.db2.gz UZRXSLIUGPQSBU-IUCAKERBSA-N 1 0 398.223 2.882 20 0 GFADRO CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)N1C[C@H](C[NH3+])C[C@H]1C ZINC000417990363 563893390 /nfs/dbraw/zinc/89/33/90/563893390.db2.gz REONFUCQBCEZKC-DVZHBHJUSA-N 1 0 384.318 2.904 20 0 GFADRO CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000417986727 563893697 /nfs/dbraw/zinc/89/36/97/563893697.db2.gz OBMLCVZVPHTPJE-KNPMLCFXSA-N 1 0 384.318 2.965 20 0 GFADRO C[C@]1(C[NH3+])CCN(C(=O)NCCc2c[nH]c3ccc(Br)cc23)C1 ZINC000417994140 563894224 /nfs/dbraw/zinc/89/42/24/563894224.db2.gz BOOWFZKFSJCPJO-QGZVFWFLSA-N 1 0 379.302 2.853 20 0 GFADRO [NH3+]CC[C@@H](NC(=O)N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1)C(F)F ZINC000418001919 563894717 /nfs/dbraw/zinc/89/47/17/563894717.db2.gz LQKGWOPVLYVRAN-NOZJJQNGSA-N 1 0 381.254 2.854 20 0 GFADRO O=C(N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000418003802 563894730 /nfs/dbraw/zinc/89/47/30/563894730.db2.gz MZTIQZOEIFLLDX-SCLBCKFNSA-N 1 0 383.323 2.967 20 0 GFADRO COc1cc(Br)ccc1CCCNC(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000418007914 563894928 /nfs/dbraw/zinc/89/49/28/563894928.db2.gz RVYZPQGRRJKRST-OLZOCXBDSA-N 1 0 384.318 2.782 20 0 GFADRO [NH3+][C@@H]1CCC[C@H](CNC(=O)NCc2cc(Br)cc3c2OCC3)C1 ZINC000418010321 563894980 /nfs/dbraw/zinc/89/49/80/563894980.db2.gz JJPLZGZCLJJDGN-XHDPSFHLSA-N 1 0 382.302 2.701 20 0 GFADRO COc1cc(Br)ccc1CCCNC(=O)N1CC[NH2+][C@H](C)[C@H]1C ZINC000418007856 563895083 /nfs/dbraw/zinc/89/50/83/563895083.db2.gz ROHUMXMKNVHDDB-CHWSQXEVSA-N 1 0 384.318 2.782 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H](NC(=O)N[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C1 ZINC000418006498 563895262 /nfs/dbraw/zinc/89/52/62/563895262.db2.gz PFNFXTSPMDWMBW-HFAKWTLXSA-N 1 0 385.295 2.668 20 0 GFADRO Cc1cc(Br)cn2cc(CNC(=O)N3CCC([C@H](C)[NH3+])CC3)nc12 ZINC000418021386 563895417 /nfs/dbraw/zinc/89/54/17/563895417.db2.gz JCRPHOXGGRJAHX-LBPRGKRZSA-N 1 0 394.317 2.674 20 0 GFADRO CCCOC[C@@H](Cc1cccc(Br)c1)NC(=O)N1CC[C@@H]([NH3+])C1 ZINC000418022210 563895509 /nfs/dbraw/zinc/89/55/09/563895509.db2.gz AMRDIGQETFSKPT-HZPDHXFCSA-N 1 0 384.318 2.529 20 0 GFADRO CC[C@@H]1CN(CC[NH2+]Cc2ccc(F)cc2I)CCO1 ZINC000418021802 563895511 /nfs/dbraw/zinc/89/55/11/563895511.db2.gz AGEGEPXQQMRYNH-CQSZACIVSA-N 1 0 392.256 2.631 20 0 GFADRO Cc1cc(Br)cn2cc(CNC(=O)NC[C@@H]3CCC[C@@H]([NH3+])C3)nc12 ZINC000418016978 563895664 /nfs/dbraw/zinc/89/56/64/563895664.db2.gz GJZJBDOQFUKREI-TZMCWYRMSA-N 1 0 394.317 2.722 20 0 GFADRO CO[C@H]1CCN(C(=O)NCc2cc3cc(Br)ccc3[nH]2)[C@@H](C[NH3+])C1 ZINC000418023600 563896015 /nfs/dbraw/zinc/89/60/15/563896015.db2.gz CDIKERGZTCRSFE-CABCVRRESA-N 1 0 395.301 2.578 20 0 GFADRO CCCOC[C@H](Cc1cccc(Br)c1)NC(=O)N1CCC[C@@H]([NH3+])C1 ZINC000418025130 563896032 /nfs/dbraw/zinc/89/60/32/563896032.db2.gz FPAQVOANDOSORL-SJORKVTESA-N 1 0 398.345 2.920 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)C(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC000448326860 563896116 /nfs/dbraw/zinc/89/61/16/563896116.db2.gz DVXDHISWYDDCDQ-HNNXBMFYSA-N 1 0 396.329 2.933 20 0 GFADRO O=C1CC[C@@H]([NH2+]Cc2ccc(F)cc2I)C2(CCC2)N1 ZINC000418039786 563896268 /nfs/dbraw/zinc/89/62/68/563896268.db2.gz HXKMXEIWDJDYLX-CYBMUJFWSA-N 1 0 388.224 2.721 20 0 GFADRO Cc1cccc(CNC(=O)N2C[C@@H](C[NH3+])C3(C2)CCOCC3)c1Br ZINC000418062419 563897234 /nfs/dbraw/zinc/89/72/34/563897234.db2.gz YZTGWUVSNRIMMQ-OAHLLOKOSA-N 1 0 396.329 2.654 20 0 GFADRO CCn1c(CNC(=O)N[C@@H](C)CCC[NH3+])nc2cc(Br)ccc21 ZINC000418070062 563897255 /nfs/dbraw/zinc/89/72/55/563897255.db2.gz TWHRSNHYZWQIMY-NSHDSACASA-N 1 0 382.306 2.745 20 0 GFADRO COc1cc(Br)ccc1[C@H](C)NC(=O)N[C@@H](CC[NH3+])C(F)F ZINC000418073590 563897687 /nfs/dbraw/zinc/89/76/87/563897687.db2.gz WYSCWQACINKQPK-KWQFWETISA-N 1 0 380.233 2.800 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)N[C@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)CC[NH2+]1 ZINC000418080775 563897738 /nfs/dbraw/zinc/89/77/38/563897738.db2.gz MXZDYARMRHSCLE-OSMZGAPFSA-N 1 0 385.295 2.538 20 0 GFADRO [NH3+]CC[C@@H](NC(=O)N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1)C(F)F ZINC000418082622 563898025 /nfs/dbraw/zinc/89/80/25/563898025.db2.gz QSAMHUHTGCLNNH-ZYHUDNBSSA-N 1 0 381.254 2.854 20 0 GFADRO C[C@@H](CCCC[NH3+])NC(=O)N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000418081718 563898270 /nfs/dbraw/zinc/89/82/70/563898270.db2.gz ORAJHRCSARDGFH-SMDDNHRTSA-N 1 0 387.311 2.915 20 0 GFADRO Cc1ccc(Br)cc1CC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000448602180 563898752 /nfs/dbraw/zinc/89/87/52/563898752.db2.gz BCRTWRZVKDYPNB-QGZVFWFLSA-N 1 0 383.330 2.773 20 0 GFADRO CCC([NH3+])(CC)CNC(=O)NCc1cnn(-c2ccc(Br)cc2)c1 ZINC000418097037 563898921 /nfs/dbraw/zinc/89/89/21/563898921.db2.gz YDTSRGBFPGFLFI-UHFFFAOYSA-N 1 0 394.317 2.952 20 0 GFADRO [NH3+]CC[C@@H](NC(=O)N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1)C(F)F ZINC000418108364 563899155 /nfs/dbraw/zinc/89/91/55/563899155.db2.gz GBLIZZGLYDDPEQ-XXILOJSOSA-N 1 0 380.208 2.726 20 0 GFADRO CC[C@@H](NC(=O)NCC[NH2+]CCOC)c1cc(F)cc(Br)c1 ZINC000418144634 563899895 /nfs/dbraw/zinc/89/98/95/563899895.db2.gz NRKINAHNMJCMCQ-CQSZACIVSA-N 1 0 376.270 2.575 20 0 GFADRO [NH3+]CCC[C@H](NC(=O)NCCCn1cc(Br)cn1)c1ccccc1 ZINC000418193543 563900678 /nfs/dbraw/zinc/90/06/78/563900678.db2.gz NTQMGDHKLKIJBW-INIZCTEOSA-N 1 0 394.317 2.815 20 0 GFADRO Cc1cc(C[NH2+]Cc2ccccc2CS(=O)(=O)N2CCOCC2)cs1 ZINC000449076036 563906520 /nfs/dbraw/zinc/90/65/20/563906520.db2.gz GJTYGHQBHQAPEK-UHFFFAOYSA-N 1 0 380.535 2.508 20 0 GFADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNCc1cccc(Br)c1F ZINC000449113145 563906997 /nfs/dbraw/zinc/90/69/97/563906997.db2.gz VKDQYKIUHURPPU-OAHLLOKOSA-N 1 0 386.309 2.621 20 0 GFADRO NC(=O)[C@H]1CCC[N@H+](CCCN[C@@H]2CCc3c2ccc(F)c3Br)C1 ZINC000449136663 563907251 /nfs/dbraw/zinc/90/72/51/563907251.db2.gz VTOLOEMQKOQPJO-BLLLJJGKSA-N 1 0 398.320 2.753 20 0 GFADRO CC[C@H](O)CCC[NH2+]Cc1cc(Br)ccc1O[C@@H](C)C(=O)NC ZINC000449162604 563907484 /nfs/dbraw/zinc/90/74/84/563907484.db2.gz SKFXTEILDWOQJU-WFASDCNBSA-N 1 0 387.318 2.603 20 0 GFADRO COc1ccc([C@H](C)[NH2+]CCS(=O)(=O)NC(C)(C)C)cc1Br ZINC000537940979 564178338 /nfs/dbraw/zinc/17/83/38/564178338.db2.gz DKYCYOGQZAIFDM-NSHDSACASA-N 1 0 393.347 2.826 20 0 GFADRO C[C@@H](Cn1cc(Br)cn1)[NH2+]C1CCN(C(=O)CC(F)(F)F)CC1 ZINC000537974084 564178461 /nfs/dbraw/zinc/17/84/61/564178461.db2.gz MKZOPSDBMMXNSJ-JTQLQIEISA-N 1 0 397.239 2.567 20 0 GFADRO Cc1sc2nc(CS[C@H](C)C(=O)N[C@H](C)C[C@H](C)[NH3+])[nH]c(=O)c2c1C ZINC000563168793 564178789 /nfs/dbraw/zinc/17/87/89/564178789.db2.gz APLPNDDWRHUMBX-YGOYTEALSA-N 1 0 382.555 2.877 20 0 GFADRO C[C@@H]([NH3+])C[C@H](C)NC(=O)C1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000563171431 564178985 /nfs/dbraw/zinc/17/89/85/564178985.db2.gz XEGPPKWNJICRJZ-OLZOCXBDSA-N 1 0 396.329 2.543 20 0 GFADRO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@@H]1CC(=O)N([C@H]2C[C@H]2C)C1 ZINC000537982139 564179109 /nfs/dbraw/zinc/17/91/09/564179109.db2.gz MPTSBCNXFQFDOE-BHTHQVBYSA-N 1 0 394.313 2.765 20 0 GFADRO CCN(CCC[NH+](C)C)C(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000470848860 564179112 /nfs/dbraw/zinc/17/91/12/564179112.db2.gz OXWMWYKDZBVLCF-AWEZNQCLSA-N 1 0 396.329 2.602 20 0 GFADRO C[C@@H]([NH2+]C[C@@H](O)C1CCOCC1)c1ccc(I)cc1 ZINC000537980592 564179459 /nfs/dbraw/zinc/17/94/59/564179459.db2.gz DSRCAGKZLJITDL-IAQYHMDHSA-N 1 0 375.250 2.729 20 0 GFADRO CS(=O)(=O)NC[C@@H]1CCC[C@@H]1[NH2+]Cc1cnc(-c2ccccc2F)s1 ZINC000449305448 564179606 /nfs/dbraw/zinc/17/96/06/564179606.db2.gz GMXIJGIVNXZBTH-LRDDRELGSA-N 1 0 383.514 2.757 20 0 GFADRO CCOCCOC[C@H](O)C[NH2+][C@H]1CCc2c1ccc(F)c2Br ZINC000449288282 564179740 /nfs/dbraw/zinc/17/97/40/564179740.db2.gz ZCXIVIJUDSAVRN-ABAIWWIYSA-N 1 0 376.266 2.579 20 0 GFADRO Fc1c(Br)cccc1C[NH2+]C[C@@H](N1CCOCC1)C(F)(F)F ZINC000449319911 564180718 /nfs/dbraw/zinc/18/07/18/564180718.db2.gz LPQWKQHLYOGUTE-GFCCVEGCSA-N 1 0 385.199 2.941 20 0 GFADRO C[C@H](CC(=O)Nc1ccccc1)[NH2+]CCn1cc(Br)ccc1=O ZINC000449373436 564182111 /nfs/dbraw/zinc/18/21/11/564182111.db2.gz BUXJNXOGXGAVIP-CYBMUJFWSA-N 1 0 378.270 2.618 20 0 GFADRO CC(C)[NH+](CCN(C)C(=O)c1cnn2cc(Br)cnc12)C(C)C ZINC000505403987 564182160 /nfs/dbraw/zinc/18/21/60/564182160.db2.gz RKEVGGQVRRQRBC-UHFFFAOYSA-N 1 0 382.306 2.683 20 0 GFADRO COCC[NH2+]C1CCN(Cc2cc3c(cc2Br)OCCCO3)CC1 ZINC000563267895 564183609 /nfs/dbraw/zinc/18/36/09/564183609.db2.gz CLOFDUHNYLODPL-UHFFFAOYSA-N 1 0 399.329 2.811 20 0 GFADRO Cc1ccc([C@H](C)[NH2+]CC(=O)Nc2cc(S(N)(=O)=O)ccc2Cl)cc1 ZINC000538129009 564183780 /nfs/dbraw/zinc/18/37/80/564183780.db2.gz QRTLQBVYRGAGBP-LBPRGKRZSA-N 1 0 381.885 2.585 20 0 GFADRO CO[C@@H]1COCC[C@@H]1C[NH2+]Cc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000449458670 564188002 /nfs/dbraw/zinc/18/80/02/564188002.db2.gz PKSVZPYSZCBFOJ-CZUORRHYSA-N 1 0 380.286 2.980 20 0 GFADRO C[C@@H](CCCOc1ccccc1C(N)=O)[NH2+]Cc1nn(C)cc1Br ZINC000449486371 564188907 /nfs/dbraw/zinc/18/89/07/564188907.db2.gz UKVABVAMLNJGKV-LBPRGKRZSA-N 1 0 395.301 2.619 20 0 GFADRO CC[C@H](CNC(=O)c1c(Br)cnn1C)[N@@H+]1CCc2ccccc2C1 ZINC000449511527 564189316 /nfs/dbraw/zinc/18/93/16/564189316.db2.gz NNUZOQJLAOLSTO-OAHLLOKOSA-N 1 0 391.313 2.749 20 0 GFADRO O=C(Cc1cccc(I)c1)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000471239153 564189848 /nfs/dbraw/zinc/18/98/48/564189848.db2.gz ZWLYYPSOWNVQSO-GJZGRUSLSA-N 1 0 384.261 2.577 20 0 GFADRO Cc1ccc(C[C@H](CO)C[NH2+][C@@H]2CN(C3CC3)C[C@@H]2C)cc1Br ZINC000449599499 564191235 /nfs/dbraw/zinc/19/12/35/564191235.db2.gz LESUXYGAQZGQRE-URLQWDBASA-N 1 0 381.358 2.981 20 0 GFADRO C[C@@H](C[NH+](C)C)NS(=O)(=O)c1cc(Br)cc(C(F)(F)F)c1 ZINC000563469020 564192324 /nfs/dbraw/zinc/19/23/24/564192324.db2.gz PLIVPHDVBIJKTH-QMMMGPOBSA-N 1 0 389.237 2.696 20 0 GFADRO COC(=O)c1ccc(C[NH2+]C[C@H](CO)Cc2cccc(Br)c2C)[nH]1 ZINC000449683048 564195228 /nfs/dbraw/zinc/19/52/28/564195228.db2.gz MXZCHRVEDAJYTG-CYBMUJFWSA-N 1 0 395.297 2.813 20 0 GFADRO O=C(C[NH+]1CCC(n2cc(Cl)cn2)CC1)N1CCC[C@@H](C(F)(F)F)C1 ZINC000506056956 564196555 /nfs/dbraw/zinc/19/65/55/564196555.db2.gz QNXHZMJMOWPOSO-GFCCVEGCSA-N 1 0 378.826 2.974 20 0 GFADRO CCc1ccc(-c2csc(NC(=O)C(=O)NCC[N@H+](C)C3CC3)n2)s1 ZINC000563541156 564196691 /nfs/dbraw/zinc/19/66/91/564196691.db2.gz KZNVUMYEIGHUEP-UHFFFAOYSA-N 1 0 378.523 2.583 20 0 GFADRO COC(=O)c1cc(C[NH2+]C[C@H](CO)Cc2cccc(Br)c2C)c[nH]1 ZINC000449687052 564196903 /nfs/dbraw/zinc/19/69/03/564196903.db2.gz ZXDNZMWUPKFEOB-CQSZACIVSA-N 1 0 395.297 2.813 20 0 GFADRO O=C1CC[C@@H]([NH+]2CCN(Cc3cnc(-c4ccsc4)s3)CC2)CCN1 ZINC000449704347 564198206 /nfs/dbraw/zinc/19/82/06/564198206.db2.gz VPEMUGHVJLNXAA-OAHLLOKOSA-N 1 0 376.551 2.658 20 0 GFADRO CCOc1c(Br)cc(C(=O)N[C@@H](CC[NH3+])C(F)(F)F)cc1OC ZINC000449724253 564198777 /nfs/dbraw/zinc/19/87/77/564198777.db2.gz SVCZMKSWRATJSD-NSHDSACASA-N 1 0 399.207 2.866 20 0 GFADRO COc1ccc(Br)cc1C(=O)CCC(=O)N[C@H]1CC[NH2+]C1(C)C ZINC000449751159 564199324 /nfs/dbraw/zinc/19/93/24/564199324.db2.gz XWIMLQRHCYAGQA-HNNXBMFYSA-N 1 0 383.286 2.677 20 0 GFADRO COC(=O)[C@@H]1CC12CC[NH+](Cc1cc3c(cc1Br)OCCO3)CC2 ZINC000506265127 564199776 /nfs/dbraw/zinc/19/97/76/564199776.db2.gz VGNXPUJHVLYGCE-ZDUSSCGKSA-N 1 0 396.281 2.995 20 0 GFADRO CCOCCOc1ccc(Br)cc1C[NH2+][C@@H]1CC[C@H](C(N)=O)C1 ZINC000449746219 564199753 /nfs/dbraw/zinc/19/97/53/564199753.db2.gz QODHMIJFLNHAOT-SWLSCSKDSA-N 1 0 385.302 2.608 20 0 GFADRO C[NH+](C)CCOCCNC(=O)N(Cc1cccc(Br)c1)C1CC1 ZINC000471636415 564200621 /nfs/dbraw/zinc/20/06/21/564200621.db2.gz NAABGZXNDTVZPC-UHFFFAOYSA-N 1 0 384.318 2.701 20 0 GFADRO Cc1ccc(C[N@@H+]2CCC[C@@](O)(C(=O)N3CCCC3)C2)cc1Br ZINC000449764462 564200865 /nfs/dbraw/zinc/20/08/65/564200865.db2.gz BGMSFHDZHXWHJS-SFHVURJKSA-N 1 0 381.314 2.707 20 0 GFADRO CC(C)[NH2+]CCCNC(=O)C(=O)Nc1cccc(Cl)c1Br ZINC000563797645 564206818 /nfs/dbraw/zinc/20/68/18/564206818.db2.gz WZNWYWMCMFMNOT-UHFFFAOYSA-N 1 0 376.682 2.545 20 0 GFADRO O=C(NC[C@@H]1CCN(c2cccc(Br)c2)C1)NCC1CC[NH2+]CC1 ZINC000563798319 564207871 /nfs/dbraw/zinc/20/78/71/564207871.db2.gz WJPUNDQFQMQQAG-HNNXBMFYSA-N 1 0 395.345 2.574 20 0 GFADRO Cc1cc(Br)cc(C)c1CNC(=O)NCC1([NH+](C)C)CCOCC1 ZINC000506703725 564210070 /nfs/dbraw/zinc/21/00/70/564210070.db2.gz LVDFVDDYVNIHRG-UHFFFAOYSA-N 1 0 398.345 2.976 20 0 GFADRO CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)NCC[N@H+](C)C1CC1 ZINC000539143884 564211229 /nfs/dbraw/zinc/21/12/29/564211229.db2.gz VEUQBSJALPIOFV-LRDDRELGSA-N 1 0 384.318 2.919 20 0 GFADRO C[C@H]([NH3+])C[C@H](C)NS(=O)(=O)c1cccc(COCC(F)(F)C(F)F)c1 ZINC000563886614 564211409 /nfs/dbraw/zinc/21/14/09/564211409.db2.gz RHALGFHENAFVBQ-QWRGUYRKSA-N 1 0 386.411 2.508 20 0 GFADRO C[C@@H]1CN(C(=O)c2ccccc2-n2cc(Br)cn2)C[C@H]1[NH+](C)C ZINC000449985611 564212003 /nfs/dbraw/zinc/21/20/03/564212003.db2.gz MLWWWGROUKUSCX-MLGOLLRUSA-N 1 0 377.286 2.657 20 0 GFADRO OC1(CN2CCOCC2)CC[NH+](CCCSc2ccccc2Cl)CC1 ZINC000539198365 564213180 /nfs/dbraw/zinc/21/31/80/564213180.db2.gz JDXRHRDDGVEDMD-UHFFFAOYSA-N 1 0 384.973 2.981 20 0 GFADRO NC(=O)[C@H]1CCCN1CCC[NH2+][C@H](c1ccc(Br)cc1)C1CC1 ZINC000539201455 564213217 /nfs/dbraw/zinc/21/32/17/564213217.db2.gz BHCCVYTVHUSMKG-SJORKVTESA-N 1 0 380.330 2.830 20 0 GFADRO CC[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccc(Br)cc2)CC[N@@H+]1C[C@H](C)O ZINC000450029215 564214582 /nfs/dbraw/zinc/21/45/82/564214582.db2.gz UPCBHFAJNGLJBF-XDKFSHSGSA-N 1 0 395.341 2.856 20 0 GFADRO CC[NH+](CC)CCO[C@H]1CCN(CC(=O)Nc2ccccc2Br)C1 ZINC000472278233 564218077 /nfs/dbraw/zinc/21/80/77/564218077.db2.gz NTBONFYSQUQBIO-HNNXBMFYSA-N 1 0 398.345 2.820 20 0 GFADRO CCS(=O)(=O)N1CCC([C@H](C)[N@H+](C)Cc2cnc(OC)c(Cl)c2)CC1 ZINC000564152493 564223023 /nfs/dbraw/zinc/22/30/23/564223023.db2.gz NAKXGXLQZKQGDC-ZDUSSCGKSA-N 1 0 389.949 2.626 20 0 GFADRO C[C@H](CN1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1)S(C)(=O)=O ZINC000450255177 564224097 /nfs/dbraw/zinc/22/40/97/564224097.db2.gz AWAQGXGRBWGIOQ-CQSZACIVSA-N 1 0 378.460 2.646 20 0 GFADRO NC(=O)c1ncc(Br)cc1NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000472509852 564225290 /nfs/dbraw/zinc/22/52/90/564225290.db2.gz ZUIPUYPHOSCKHA-UHFFFAOYSA-N 1 0 390.285 2.667 20 0 GFADRO CC[N@H+](C)CCNS(=O)(=O)c1cc(Br)c(Cl)cc1Cl ZINC000472604628 564229192 /nfs/dbraw/zinc/22/91/92/564229192.db2.gz WGIKFDFVVMHKTP-UHFFFAOYSA-N 1 0 390.130 2.986 20 0 GFADRO CC[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2cccc(Br)c2C)C1 ZINC000472613610 564229673 /nfs/dbraw/zinc/22/96/73/564229673.db2.gz SEROUACUQSSVQF-ZDUSSCGKSA-N 1 0 375.332 2.768 20 0 GFADRO C[N@H+](CCCC(=O)c1ccc(Br)cc1)C1CCN(CCO)CC1 ZINC000450366591 564229634 /nfs/dbraw/zinc/22/96/34/564229634.db2.gz UDWRDDSVOCUUSO-UHFFFAOYSA-N 1 0 383.330 2.801 20 0 GFADRO CNC(=O)CC[N@H+](C)Cc1cc(Br)c(OC)c(Br)c1 ZINC000539839340 564230089 /nfs/dbraw/zinc/23/00/89/564230089.db2.gz YHOIXEXGFWMUOT-UHFFFAOYSA-N 1 0 394.107 2.788 20 0 GFADRO Cc1ccc(Br)cc1C[N@@H+]1CCC[C@@H](c2cc(C(N)=O)[nH]n2)C1 ZINC000450461745 564233759 /nfs/dbraw/zinc/23/37/59/564233759.db2.gz XHVJJWFVCRNDCW-GFCCVEGCSA-N 1 0 377.286 2.959 20 0 GFADRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)C(=O)Nc1cc(Br)ccc1F ZINC000507633133 564236116 /nfs/dbraw/zinc/23/61/16/564236116.db2.gz RWBUFQBPVWAQSK-WCQYABFASA-N 1 0 398.276 2.612 20 0 GFADRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)C(=O)Nc1ccc(Br)cc1F ZINC000507662137 564237831 /nfs/dbraw/zinc/23/78/31/564237831.db2.gz VXWLIUMWUVYANN-DGCLKSJQSA-N 1 0 398.276 2.612 20 0 GFADRO C[C@@H]1[C@H](C)[N@H+](C)CCN1Cc1csc(-c2ccc(S(C)(=O)=O)cc2)n1 ZINC000540052832 564238301 /nfs/dbraw/zinc/23/83/01/564238301.db2.gz KHDCVIVCXKNNAO-UONOGXRCSA-N 1 0 379.551 2.738 20 0 GFADRO CCC[N@H+](CC)CCNC(=O)NCCC(=O)Nc1ccc(Br)cc1 ZINC000472963169 564238293 /nfs/dbraw/zinc/23/82/93/564238293.db2.gz DGORIDJDCZJASJ-UHFFFAOYSA-N 1 0 399.333 2.809 20 0 GFADRO CCNC(=O)N1CC[C@@H]([NH2+][C@H](C)c2ccccc2I)C1 ZINC000540157912 564240692 /nfs/dbraw/zinc/24/06/92/564240692.db2.gz MNEOJQRZNLSXCU-VXGBXAGGSA-N 1 0 387.265 2.746 20 0 GFADRO C[NH+](C)CCn1nccc1NC(=O)[C@@H]1C[C@@H]1c1ccc(Br)cc1 ZINC000564603902 564240806 /nfs/dbraw/zinc/24/08/06/564240806.db2.gz QUBVSONYUSCJDT-HUUCEWRRSA-N 1 0 377.286 2.949 20 0 GFADRO OCCC[N@@H+]1CCC[C@@H]1CNc1ccc(-c2ccc(Br)s2)nn1 ZINC000450600916 564241092 /nfs/dbraw/zinc/24/10/92/564241092.db2.gz XCCIOUCNDXBFDN-GFCCVEGCSA-N 1 0 397.342 3.226 20 0 GFADRO OCCC[N@@H+]1CCC[C@@H](Nc2ccc(Br)c(C(F)(F)F)n2)C1 ZINC000450613699 564241136 /nfs/dbraw/zinc/24/11/36/564241136.db2.gz MIWKKGSWGISQRO-SNVBAGLBSA-N 1 0 382.224 3.122 20 0 GFADRO CNC(=O)C[C@@H](C)[NH2+]CCOc1ccc(Br)cc1C(F)(F)F ZINC000540165274 564241253 /nfs/dbraw/zinc/24/12/53/564241253.db2.gz QIJCUJNTNYDGJJ-SECBINFHSA-N 1 0 383.208 2.961 20 0 GFADRO O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cc[nH]c(=O)c1Br ZINC000473293160 564243306 /nfs/dbraw/zinc/24/33/06/564243306.db2.gz JXBXKFRAHCRGQE-AWEZNQCLSA-N 1 0 390.281 2.802 20 0 GFADRO Cc1c([C@@H](C)[NH2+]CCc2cn[nH]c2)nnn1-c1cccc(Br)c1 ZINC000564688930 564244670 /nfs/dbraw/zinc/24/46/70/564244670.db2.gz FCTJDAXJNCRVMT-LLVKDONJSA-N 1 0 375.274 2.955 20 0 GFADRO COc1ccc(Br)c(C[NH2+][C@H]2CCCC[C@@H]2S(C)(=O)=O)c1 ZINC000540411789 564247811 /nfs/dbraw/zinc/24/78/11/564247811.db2.gz IEPHOCUUDXZQEK-GJZGRUSLSA-N 1 0 376.316 2.903 20 0 GFADRO C[NH+]1CCC2(CCCN2S(=O)(=O)c2cc(F)ccc2Br)CC1 ZINC000507932964 564248298 /nfs/dbraw/zinc/24/82/98/564248298.db2.gz AVZVYVOXLNIZKT-UHFFFAOYSA-N 1 0 391.306 2.837 20 0 GFADRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)c1cnnn1-c1c(Cl)cccc1Cl ZINC000564788181 564249126 /nfs/dbraw/zinc/24/91/26/564249126.db2.gz OYGWPIXUKKYQGZ-GFCCVEGCSA-N 1 0 382.295 2.988 20 0 GFADRO C[NH+](C)CCCCC(=O)NCc1cnn(-c2ccc(Br)cc2)c1 ZINC000564810335 564249677 /nfs/dbraw/zinc/24/96/77/564249677.db2.gz CHWHOCGSZXTJSR-UHFFFAOYSA-N 1 0 379.302 2.983 20 0 GFADRO C[NH+](C)CCOCCNC(=O)Nc1cc(Cl)ccc1N1CCSCC1 ZINC000473663547 564251875 /nfs/dbraw/zinc/25/18/75/564251875.db2.gz WQULXDQBEQYZDV-UHFFFAOYSA-N 1 0 386.949 2.593 20 0 GFADRO O[C@@H](C[NH2+]CCCOC1CCOCC1)COc1ccc(Cl)cc1Cl ZINC000564854378 564252492 /nfs/dbraw/zinc/25/24/92/564252492.db2.gz LOLNSXUYHNHDRI-AWEZNQCLSA-N 1 0 378.296 2.908 20 0 GFADRO CS(=O)(=O)c1ccc(C[NH2+]C[C@@H](O)Cc2ccccc2C(F)(F)F)s1 ZINC000564865397 564253775 /nfs/dbraw/zinc/25/37/75/564253775.db2.gz YTJMRYNMHSCDGX-LBPRGKRZSA-N 1 0 393.452 2.864 20 0 GFADRO Cc1cc(C(=O)NCCOCC[NH+](C)C)c2ccc(Br)cc2n1 ZINC000540845721 564257783 /nfs/dbraw/zinc/25/77/83/564257783.db2.gz IASZUPXNTZZZOM-UHFFFAOYSA-N 1 0 380.286 2.614 20 0 GFADRO COC(=O)C1(C[N@H+](CCn2ccnc2)Cc2ccc(Br)o2)CC1 ZINC000450975381 564258187 /nfs/dbraw/zinc/25/81/87/564258187.db2.gz AGCPWGLIUUOMDT-UHFFFAOYSA-N 1 0 382.258 2.694 20 0 GFADRO COc1cc(C(=O)N2CCC[C@]3(CC[NH2+]C3)C2)cc(Br)c1OC ZINC000564933665 564258218 /nfs/dbraw/zinc/25/82/18/564258218.db2.gz MZLUJUWZZMUROO-QGZVFWFLSA-N 1 0 383.286 2.682 20 0 GFADRO CN(CCC(=O)NCCOc1ccc(Br)cc1)c1cc[nH+]cc1 ZINC000540928926 564260534 /nfs/dbraw/zinc/26/05/34/564260534.db2.gz NEUHWTSMZXCLNS-UHFFFAOYSA-N 1 0 378.270 2.866 20 0 GFADRO CN(CCC(=O)N1CCC(n2cc(Br)cn2)CC1)c1cc[nH+]cc1 ZINC000540925490 564260583 /nfs/dbraw/zinc/26/05/83/564260583.db2.gz BAVVAGQGQUIISY-UHFFFAOYSA-N 1 0 392.301 2.731 20 0 GFADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N[C@@H](C)c2ccc(Br)cn2)C1 ZINC000473975725 564260718 /nfs/dbraw/zinc/26/07/18/564260718.db2.gz GCKGJGOJGQHNPM-DZGCQCFKSA-N 1 0 399.333 2.561 20 0 GFADRO CN(C)S(=O)(=O)[C@@H]1C[N@H+](C[C@H]2CCCCC2(F)F)C[C@H]1C(F)(F)F ZINC000450998325 564261025 /nfs/dbraw/zinc/26/10/25/564261025.db2.gz ZLKUPVFPWXEUCG-IJLUTSLNSA-N 1 0 378.407 2.566 20 0 GFADRO CNC(=O)[C@H]1CCC[C@@H]1[NH2+]Cc1ncc(Br)cc1Br ZINC000473995922 564261579 /nfs/dbraw/zinc/26/15/79/564261579.db2.gz UUVRYIILVLXWIC-ONGXEEELSA-N 1 0 391.107 2.611 20 0 GFADRO O=C(N[C@H]1COc2cc(F)c(Br)cc21)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000564993050 564262110 /nfs/dbraw/zinc/26/21/10/564262110.db2.gz NLTCBGRGELBFKM-CVEARBPZSA-N 1 0 391.240 2.852 20 0 GFADRO NC(=O)C1(C[NH2+]Cc2c(F)ccc(I)c2F)CCCC1 ZINC000474878926 564291812 /nfs/dbraw/zinc/29/18/12/564291812.db2.gz AYQAPFLYWVDEKP-UHFFFAOYSA-N 1 0 394.203 2.705 20 0 GFADRO COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000508518676 564265470 /nfs/dbraw/zinc/26/54/70/564265470.db2.gz HSAMFSJPOMLIRI-SECBINFHSA-N 1 0 395.308 2.541 20 0 GFADRO CCC[C@@H]([NH2+]C(C)C)C(=O)NC[C@H](CO)Cc1ccccc1Br ZINC000508578200 564266795 /nfs/dbraw/zinc/26/67/95/564266795.db2.gz OMMHSFMNKABCFU-RHSMWYFYSA-N 1 0 385.346 2.883 20 0 GFADRO C[N@H+](CC(=O)N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1)[C@@H]1CCSC1 ZINC000541164716 564267709 /nfs/dbraw/zinc/26/77/09/564267709.db2.gz NATHQCRWBNIBBL-CHWSQXEVSA-N 1 0 376.448 2.503 20 0 GFADRO C[C@H]1CC[N@H+](CCNS(=O)(=O)c2ccc(Cl)cc2Br)C1 ZINC000541212862 564269356 /nfs/dbraw/zinc/26/93/56/564269356.db2.gz OJDWRERVRZOBNE-JTQLQIEISA-N 1 0 381.723 2.723 20 0 GFADRO Cc1cc(S(=O)(=O)NCC[NH2+][C@H](C)Cc2ccn(C(C)C)n2)c(C)s1 ZINC000541216505 564269392 /nfs/dbraw/zinc/26/93/92/564269392.db2.gz UKKVSUMRXWHXDN-CYBMUJFWSA-N 1 0 384.571 2.641 20 0 GFADRO COC(=O)CN1CCC([NH2+][C@@H](C)Cc2cc(Br)ccc2F)CC1 ZINC000541240215 564270416 /nfs/dbraw/zinc/27/04/16/564270416.db2.gz YKQMOTHVKOUELP-LBPRGKRZSA-N 1 0 387.293 2.746 20 0 GFADRO CC1CC[NH+](CCNC(=O)NCCOc2ncc(Cl)cc2Cl)CC1 ZINC000474254825 564271587 /nfs/dbraw/zinc/27/15/87/564271587.db2.gz WTSVFLBUUFJSHZ-UHFFFAOYSA-N 1 0 375.300 2.798 20 0 GFADRO C[C@@H]1CN([C@@H]2CCN(c3cccc(Br)c3)C2=O)CC[N@@H+](C2CC2)C1 ZINC000451092045 564272865 /nfs/dbraw/zinc/27/28/65/564272865.db2.gz LFTHGQATUXSTKL-KBXCAEBGSA-N 1 0 392.341 2.971 20 0 GFADRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)Nc1ccc(I)cc1F ZINC000565314357 564275606 /nfs/dbraw/zinc/27/56/06/564275606.db2.gz KEWIKSGUYPAEBE-PELKAZGASA-N 1 0 377.201 2.550 20 0 GFADRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)Nc1ccc(I)cc1F ZINC000565314360 564275810 /nfs/dbraw/zinc/27/58/10/564275810.db2.gz KEWIKSGUYPAEBE-UFBFGSQYSA-N 1 0 377.201 2.550 20 0 GFADRO C[C@@H]1C[C@@H](NS(=O)(=O)c2ccc(Cl)cc2Br)CC[N@@H+]1C ZINC000541387676 564277747 /nfs/dbraw/zinc/27/77/47/564277747.db2.gz ZLMNWWGAFLFREM-KOLCDFICSA-N 1 0 381.723 2.864 20 0 GFADRO COCCN1CC[C@@H]([NH2+][C@H]2CCCN(c3ccc(Cl)cc3Cl)C2=O)C1 ZINC000474426826 564278078 /nfs/dbraw/zinc/27/80/78/564278078.db2.gz LSHLDGFCWMZAJS-ZBFHGGJFSA-N 1 0 386.323 2.799 20 0 GFADRO Cc1sc(Br)c(C(=O)NCC2([NH+](C)C)CCOCC2)c1C ZINC000508988381 564278115 /nfs/dbraw/zinc/27/81/15/564278115.db2.gz UCGMXNDMIOUPIG-UHFFFAOYSA-N 1 0 375.332 2.968 20 0 GFADRO Cc1cc([C@@H]2CCCN2C(=O)C(=O)N[C@H](C)C[C@@H](C)[NH3+])ccc1Br ZINC000565422483 564279788 /nfs/dbraw/zinc/27/97/88/564279788.db2.gz QSQNMDXPWQPFAC-IOASZLSFSA-N 1 0 396.329 2.663 20 0 GFADRO Cc1cc([C@@H]2CCCN2C(=O)C(=O)N[C@@H](C)C[C@H](C)[NH3+])ccc1Br ZINC000565422487 564280225 /nfs/dbraw/zinc/28/02/25/564280225.db2.gz QSQNMDXPWQPFAC-XEZPLFJOSA-N 1 0 396.329 2.663 20 0 GFADRO COC1CC[NH+](C(C)(C)CNS(=O)(=O)Cc2c(F)cccc2Cl)CC1 ZINC000451177538 564283722 /nfs/dbraw/zinc/28/37/22/564283722.db2.gz WDCOLQYXPRQJDU-UHFFFAOYSA-N 1 0 392.924 2.788 20 0 GFADRO CC(C)NC(=O)C[N@@H+]1CC[C@@H](Cc2cccc(I)c2)C1 ZINC000451196566 564285344 /nfs/dbraw/zinc/28/53/44/564285344.db2.gz WZZHXNREZPKFTQ-AWEZNQCLSA-N 1 0 386.277 2.680 20 0 GFADRO CN1CCN(C)[C@H](C[NH2+]Cc2ccc(Br)cc2C(F)(F)F)C1 ZINC000474713838 564286782 /nfs/dbraw/zinc/28/67/82/564286782.db2.gz MUOLDRBCIKNFFC-CYBMUJFWSA-N 1 0 380.252 2.803 20 0 GFADRO Cc1n[nH]cc1CCC[NH2+]C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000565594590 564287587 /nfs/dbraw/zinc/28/75/87/564287587.db2.gz QQWHTKAQYXHKGE-HNNXBMFYSA-N 1 0 386.265 2.582 20 0 GFADRO CC(C)[C@@H](Oc1ccccc1Br)C(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000565597467 564288345 /nfs/dbraw/zinc/28/83/45/564288345.db2.gz QISOVNMRCFFYMN-UONOGXRCSA-N 1 0 391.256 2.966 20 0 GFADRO Cn1cc(Br)c(=O)c(NC(=O)c2ccc(Nc3cc[nH+]cc3)cc2)c1 ZINC000541808370 564289909 /nfs/dbraw/zinc/28/99/09/564289909.db2.gz SOVVDLQAEYZOLF-UHFFFAOYSA-N 1 0 399.248 2.961 20 0 GFADRO Fc1ccc(I)c(F)c1C[NH2+]CCNc1cnccn1 ZINC000474802643 564289982 /nfs/dbraw/zinc/28/99/82/564289982.db2.gz SFDRCPHMHYQHPE-UHFFFAOYSA-N 1 0 390.175 2.561 20 0 GFADRO CS[C@H](CO)[C@H](C)[NH2+]Cc1c(F)ccc(I)c1F ZINC000474815612 564290064 /nfs/dbraw/zinc/29/00/64/564290064.db2.gz JIHDMLZIWFCMSG-WRWORJQWSA-N 1 0 387.233 2.771 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCOC1(C)C)C(=O)Nc1cccc(I)c1 ZINC000451235574 564290094 /nfs/dbraw/zinc/29/00/94/564290094.db2.gz KBAFSBCXDQSPAK-GXFFZTMASA-N 1 0 388.249 2.775 20 0 GFADRO C[C@@H](CC[NH+](C)C)NC(=O)NC(C)(C)COc1ncccc1Br ZINC000541819421 564290676 /nfs/dbraw/zinc/29/06/76/564290676.db2.gz RMRPVPVENSCZEE-LBPRGKRZSA-N 1 0 387.322 2.641 20 0 GFADRO CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000565705514 564291819 /nfs/dbraw/zinc/29/18/19/564291819.db2.gz PYUCUBPQCQXAFB-SDNTUTLCSA-N 1 0 396.329 2.919 20 0 GFADRO O=C(NCCNc1cccc(Br)c1)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000541846144 564292681 /nfs/dbraw/zinc/29/26/81/564292681.db2.gz JLCLLRQLFJVQBJ-CVEARBPZSA-N 1 0 381.318 2.787 20 0 GFADRO Cc1[nH]c(=O)sc1S(=O)(=O)NCC[NH2+][C@@H]1CCC[C@@H](CC(C)C)C1 ZINC000474942497 564295055 /nfs/dbraw/zinc/29/50/55/564295055.db2.gz LLORJDWLJRFRRO-UONOGXRCSA-N 1 0 375.560 2.630 20 0 GFADRO CSC1(CNS(=O)(=O)c2ccccc2C(F)(F)F)CC[NH+](C)CC1 ZINC000565803562 564297115 /nfs/dbraw/zinc/29/71/15/564297115.db2.gz CSRXGAWZHPMRAN-UHFFFAOYSA-N 1 0 382.473 2.811 20 0 GFADRO O[C@H](COc1ccc(Cl)cc1Cl)C[N@@H+]1C[C@H](O)C[C@@H]1[C@H]1CCCOC1 ZINC000451302595 564297538 /nfs/dbraw/zinc/29/75/38/564297538.db2.gz PABKJNNMJGQRBG-PWXKEOIMSA-N 1 0 390.307 2.595 20 0 GFADRO O[C@H](COc1ccc(Cl)cc1Cl)C[N@@H+]1C[C@H](O)C[C@@H]1[C@@H]1CCCOC1 ZINC000451302594 564297927 /nfs/dbraw/zinc/29/79/27/564297927.db2.gz PABKJNNMJGQRBG-JJAZEVLHSA-N 1 0 390.307 2.595 20 0 GFADRO CCCN(CCC[NH+](C)C)C(=O)c1cccnc1-n1cc(Br)cn1 ZINC000451305320 564298766 /nfs/dbraw/zinc/29/87/66/564298766.db2.gz VUFSFDLYFFLNHF-UHFFFAOYSA-N 1 0 394.317 2.834 20 0 GFADRO OC[C@@H](C[NH2+]C[C@H](O)COc1ccc(Br)cc1)c1ccc(F)cc1 ZINC000565892313 564300745 /nfs/dbraw/zinc/30/07/45/564300745.db2.gz MLHXYVWDOXDCTR-PBHICJAKSA-N 1 0 398.272 2.694 20 0 GFADRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(Cc2ncc(Br)s2)CC1 ZINC000542156233 564302971 /nfs/dbraw/zinc/30/29/71/564302971.db2.gz SXRVZUDJCBPNKT-ZIAGYGMSSA-N 1 0 387.391 2.896 20 0 GFADRO COc1ccc(Br)cc1CC(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000566008588 564305905 /nfs/dbraw/zinc/30/59/05/564305905.db2.gz RDCNINSZUJUYDO-KBPBESRZSA-N 1 0 381.314 2.848 20 0 GFADRO Cc1nccn1CC[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000566004934 564305950 /nfs/dbraw/zinc/30/59/50/564305950.db2.gz KKHACNZXCSAQKU-CYBMUJFWSA-N 1 0 388.693 2.637 20 0 GFADRO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC[C@@H](O)COc1cccc(Cl)c1Cl ZINC000475344632 564306094 /nfs/dbraw/zinc/30/60/94/564306094.db2.gz XLKZAUVPULCWCS-JHJVBQTASA-N 1 0 375.296 2.722 20 0 GFADRO CCC[NH+]1CCN(c2ncnc3ccc(I)cc32)CC1 ZINC000509666756 564309199 /nfs/dbraw/zinc/30/91/99/564309199.db2.gz XJPSCJRENHXYPF-UHFFFAOYSA-N 1 0 382.249 2.766 20 0 GFADRO CSC1(C[NH2+]C[C@H](O)COc2ccc(Br)cc2)CCOCC1 ZINC000566116321 564310564 /nfs/dbraw/zinc/31/05/64/564310564.db2.gz OSJBOXHKLAVTMN-AWEZNQCLSA-N 1 0 390.343 2.691 20 0 GFADRO CC(C)(C)N1C[C@H]([NH2+]C[C@@H](O)COc2ccc(Cl)cc2Cl)CC1=O ZINC000566111097 564310584 /nfs/dbraw/zinc/31/05/84/564310584.db2.gz XYVAQPLAEIKICX-CHWSQXEVSA-N 1 0 375.296 2.722 20 0 GFADRO O[C@H](COc1cccc(Br)c1)C[N@@H+]1CCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000451410724 564311582 /nfs/dbraw/zinc/31/15/82/564311582.db2.gz CWDFXMRIROJBGJ-OWLYRPNTSA-N 1 0 384.314 2.814 20 0 GFADRO CN(CC1([NH+](C)C)CCC1)S(=O)(=O)Cc1ccc(Br)c(F)c1 ZINC000451433736 564312583 /nfs/dbraw/zinc/31/25/83/564312583.db2.gz GIBPZKHMLCOOPO-UHFFFAOYSA-N 1 0 393.322 2.834 20 0 GFADRO C[C@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1ccc(Br)cc1F ZINC000475573398 564312734 /nfs/dbraw/zinc/31/27/34/564312734.db2.gz SGZLIGSBLAFCNU-NSHDSACASA-N 1 0 379.295 2.741 20 0 GFADRO Cc1cc(C)c(C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)cc1Br ZINC000451447496 564314190 /nfs/dbraw/zinc/31/41/90/564314190.db2.gz BZSOUXVPZPQFFI-UHFFFAOYSA-N 1 0 382.346 2.822 20 0 GFADRO CCCOc1c(Br)cc(C[N@@H+]2CC[C@@](C)(C(N)=O)C2)cc1OC ZINC000475671943 564315157 /nfs/dbraw/zinc/31/51/57/564315157.db2.gz KMCOIWVSJLGUSG-QGZVFWFLSA-N 1 0 385.302 2.944 20 0 GFADRO C[C@H]([NH3+])C[C@H](C)NC(=O)N[C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O ZINC000566194094 564316193 /nfs/dbraw/zinc/31/61/93/564316193.db2.gz QTUZBAAYPMZAEC-COPLHBTASA-N 1 0 387.311 2.914 20 0 GFADRO C[C@H](C[C@H](C)[NH3+])NC(=O)N[C@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O ZINC000566194110 564316415 /nfs/dbraw/zinc/31/64/15/564316415.db2.gz QTUZBAAYPMZAEC-WDMOLILDSA-N 1 0 387.311 2.914 20 0 GFADRO [NH3+]CC[C@@H]1CCCCN1S(=O)(=O)c1cccc(Cl)c1Br ZINC000566223815 564316878 /nfs/dbraw/zinc/31/68/78/564316878.db2.gz LUCZVYQXRJMGNW-JTQLQIEISA-N 1 0 381.723 2.995 20 0 GFADRO COCCCS(=O)(=O)NCC[N@H+](C)[C@@H](C)[C@H](C)c1ccc(Cl)cc1 ZINC000475733693 564317248 /nfs/dbraw/zinc/31/72/48/564317248.db2.gz LINMYINLSROUHB-GJZGRUSLSA-N 1 0 376.950 2.720 20 0 GFADRO C[NH+]1CCN(Cc2ccc(NC(=O)[C@@H]3CCSC3)cc2Br)CC1 ZINC000475753828 564318631 /nfs/dbraw/zinc/31/86/31/564318631.db2.gz SZJILXQWZFWBFN-CQSZACIVSA-N 1 0 398.370 2.888 20 0 GFADRO CC[N@@H+]1CCCC[C@H]1CNS(=O)(=O)c1ccc(Br)cc1F ZINC000475772103 564318963 /nfs/dbraw/zinc/31/89/63/564318963.db2.gz PWFQYSQTFYAGDM-LBPRGKRZSA-N 1 0 379.295 2.741 20 0 GFADRO C[C@@H]([NH2+]CC(=O)N1CCNC(=O)C1)c1ccc(-c2ccc(Cl)cc2)s1 ZINC000542630432 564320217 /nfs/dbraw/zinc/32/02/17/564320217.db2.gz DAIMPVWQYCDIFQ-GFCCVEGCSA-N 1 0 377.897 2.678 20 0 GFADRO C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)N1CC2CCC1(C[NH3+])CC2 ZINC000566480618 564328269 /nfs/dbraw/zinc/32/82/69/564328269.db2.gz YMDBMWJSBNVNKD-ICXUMSERSA-N 1 0 394.357 2.999 20 0 GFADRO CCOC(=O)[C@@H]1CCCC[C@@H]1[NH2+][C@H](C(N)=O)c1ccc(Br)cc1 ZINC000451602683 564330037 /nfs/dbraw/zinc/33/00/37/564330037.db2.gz XTJAWIVMXGQMRA-ILXRZTDVSA-N 1 0 383.286 2.687 20 0 GFADRO CSc1cccc(S(=O)(=O)N2CCC(OCC[NH+]3CCCC3)CC2)c1 ZINC000510324051 564330224 /nfs/dbraw/zinc/33/02/24/564330224.db2.gz OQRVODMDMBSHBA-UHFFFAOYSA-N 1 0 384.567 2.674 20 0 GFADRO Nc1ccc(F)c(NC(=O)CC[NH2+][C@@H](CO)c2ccc(Br)cc2)c1 ZINC000542913635 564331228 /nfs/dbraw/zinc/33/12/28/564331228.db2.gz PDDLMQIIGUCJJJ-INIZCTEOSA-N 1 0 396.260 2.822 20 0 GFADRO CCOC(=O)[C@@H](c1ccc(Br)cc1F)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000451627588 564333068 /nfs/dbraw/zinc/33/30/68/564333068.db2.gz YEEIBCNWDXZCDN-IUIKQTSFSA-N 1 0 385.277 2.828 20 0 GFADRO O=S(=O)(c1cccs1)N1CCC[C@@H]([NH2+]Cc2ccc3c(n2)CCC3)C1 ZINC000566606523 564334657 /nfs/dbraw/zinc/33/46/57/564334657.db2.gz JWEKRLXLLZLJFO-MRXNPFEDSA-N 1 0 377.535 2.575 20 0 GFADRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1S(=O)(=O)c1ccccc1OC(F)(F)F ZINC000510538486 564337685 /nfs/dbraw/zinc/33/76/85/564337685.db2.gz MWRAEJSGDPVMEN-OLZOCXBDSA-N 1 0 378.416 2.833 20 0 GFADRO O=C1C[C@@H]([NH2+]C[C@H](O)COCc2cccs2)CN1c1ccccc1Cl ZINC000566673532 564338269 /nfs/dbraw/zinc/33/82/69/564338269.db2.gz PPFDVKHEEDDOHV-KGLIPLIRSA-N 1 0 380.897 2.674 20 0 GFADRO C[C@H](NC(=O)NCCOc1cccc(Br)c1)C1=CC[N@H+](C)CC1 ZINC000510574829 564339259 /nfs/dbraw/zinc/33/92/59/564339259.db2.gz QVYXQQQVRKAPEN-ZDUSSCGKSA-N 1 0 382.302 2.778 20 0 GFADRO CS(=O)(=O)c1cccc(Cl)c1C(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000476513833 564342345 /nfs/dbraw/zinc/34/23/45/564342345.db2.gz OMGTUNZPFAXWAQ-CQSZACIVSA-N 1 0 384.929 2.692 20 0 GFADRO O=C1[C@H]([NH2+][C@@H]2CCc3ccc(Br)cc32)CCN1C1CCOCC1 ZINC000510670818 564343198 /nfs/dbraw/zinc/34/31/98/564343198.db2.gz YBKSJVBXYGTSTF-IAGOWNOFSA-N 1 0 379.298 2.806 20 0 GFADRO CS(=O)(=O)N[C@H]1CCCC[C@H]1[NH2+]CCOc1ccc(C(F)(F)F)cc1 ZINC000510776673 564346403 /nfs/dbraw/zinc/34/64/03/564346403.db2.gz IFQZTJMDVYEDCU-CABCVRRESA-N 1 0 380.432 2.534 20 0 GFADRO C[C@@H](C[NH+]1CCCCCC1)NS(=O)(=O)c1cc2c(cc1Cl)OCCO2 ZINC000476621025 564348224 /nfs/dbraw/zinc/34/82/24/564348224.db2.gz YBESYQFZLGARBR-ZDUSSCGKSA-N 1 0 388.917 2.654 20 0 GFADRO C[C@@H](c1cccc(S(N)(=O)=O)c1)[N@H+](C)Cc1cc(-n2ccnc2)cs1 ZINC000543396465 564348821 /nfs/dbraw/zinc/34/88/21/564348821.db2.gz GQXHFBAKXQRRNZ-ZDUSSCGKSA-N 1 0 376.507 2.774 20 0 GFADRO COCCN1CC[C@H]([NH2+]C[C@@H]2CCN(c3cccc(Br)c3)C2)C1 ZINC000543397914 564349847 /nfs/dbraw/zinc/34/98/47/564349847.db2.gz CZGSQTKCUQIRKH-RDJZCZTQSA-N 1 0 382.346 2.586 20 0 GFADRO COC[C@H]([NH2+][C@@H](C)C(=O)Nc1ccc(I)cc1)C(C)C ZINC000543453353 564351565 /nfs/dbraw/zinc/35/15/65/564351565.db2.gz KIKCVNQZZONIRQ-FZMZJTMJSA-N 1 0 390.265 2.879 20 0 GFADRO C[C@@H]([NH2+]CC(=O)N(C)CCOc1ccc(Br)cc1)[C@@H]1CCCOC1 ZINC000543508203 564353144 /nfs/dbraw/zinc/35/31/44/564353144.db2.gz IPEDHTQYBZQNEH-HUUCEWRRSA-N 1 0 399.329 2.691 20 0 GFADRO CC1(C)C[C@H]([NH2+]CCNS(=O)(=O)c2ccc(F)cc2Cl)C(C)(C)O1 ZINC000511054074 564355214 /nfs/dbraw/zinc/35/52/14/564355214.db2.gz IFKFPPKBWZNSGE-AWEZNQCLSA-N 1 0 378.897 2.693 20 0 GFADRO CN1CC[NH+](CC2(C)CCN(Cc3ccc(Br)cn3)CC2)CC1 ZINC000543617812 564355407 /nfs/dbraw/zinc/35/54/07/564355407.db2.gz FUTJBLCOOBQXOJ-UHFFFAOYSA-N 1 0 381.362 2.694 20 0 GFADRO CC[NH+](CC)CCOCCNC(=O)NCc1cc(F)cc(Br)c1 ZINC000543641328 564357269 /nfs/dbraw/zinc/35/72/69/564357269.db2.gz NCLDFFMRURKPIK-UHFFFAOYSA-N 1 0 390.297 2.746 20 0 GFADRO C[C@H]1COCCN1CCNC(=O)Nc1cc(F)c(Br)cc1F ZINC000511119324 564357923 /nfs/dbraw/zinc/35/79/23/564357923.db2.gz IBBQXTGXDBISJS-VIFPVBQESA-N 1 0 378.217 2.570 20 0 GFADRO CN(C)S(=O)(=O)[C@H]1CCCN(CCOc2c(Cl)cccc2Cl)C1 ZINC000511137002 564359877 /nfs/dbraw/zinc/35/98/77/564359877.db2.gz CFZZBXMNRVTOEB-LBPRGKRZSA-N 1 0 381.325 2.728 20 0 GFADRO O=S(=O)(CC[NH2+]C1CC(c2ccccc2Cl)C1)NC[C@H]1CCCCO1 ZINC000511161236 564360365 /nfs/dbraw/zinc/36/03/65/564360365.db2.gz XAVZVGNKXSWCEQ-UYSNPLJNSA-N 1 0 386.945 2.664 20 0 GFADRO COC(=O)c1ccc(S(=O)(=O)NC(C)(C)CCC[NH+](C)C)c(Cl)c1 ZINC000451883474 564362492 /nfs/dbraw/zinc/36/24/92/564362492.db2.gz FEDVGEZHNWSAEL-UHFFFAOYSA-N 1 0 376.906 2.525 20 0 GFADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)NC(C)(C)CCC[NH+](C)C)c1 ZINC000451884687 564362675 /nfs/dbraw/zinc/36/26/75/564362675.db2.gz GUIMITTYZFHOQS-UHFFFAOYSA-N 1 0 376.906 2.525 20 0 GFADRO CSC[C@H]([NH2+]C[C@H]1CS(=O)(=O)CCO1)c1ccc(C(F)(F)F)cc1 ZINC000543773827 564362807 /nfs/dbraw/zinc/36/28/07/564362807.db2.gz DALLGBAVQRLSKK-KBPBESRZSA-N 1 0 383.457 2.513 20 0 GFADRO [NH3+]C[C@@H](NC(=O)N1CCC[C@H](Nc2cccc(Br)c2)C1)C1CC1 ZINC000567248233 564363076 /nfs/dbraw/zinc/36/30/76/564363076.db2.gz RULJMPWVWGMTJP-JKSUJKDBSA-N 1 0 381.318 2.772 20 0 GFADRO CCN1CCN(S(=O)(=O)c2c(Cl)cc(F)cc2Br)[C@@H](C)C1 ZINC000511226399 564363193 /nfs/dbraw/zinc/36/31/93/564363193.db2.gz ZQXZEARMVHETOD-VIFPVBQESA-N 1 0 399.713 2.956 20 0 GFADRO CS[C@H]1CN(S(=O)(=O)c2ccc3c(c2)CCCC3)C[C@@H]1[NH+]1CCCC1 ZINC000477142691 564367243 /nfs/dbraw/zinc/36/72/43/564367243.db2.gz VKDQMUVYPCLUEG-OALUTQOASA-N 1 0 380.579 2.766 20 0 GFADRO COC[C@]1(CO)CC[N@H+](Cc2ccnc(-c3ccc(Br)cc3)n2)C1 ZINC000451925216 564367307 /nfs/dbraw/zinc/36/73/07/564367307.db2.gz FXXQBEPZNALBIJ-GOSISDBHSA-N 1 0 392.297 2.737 20 0 GFADRO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)N1CCO[C@@]2(CCSC2)C1 ZINC000567380545 564368698 /nfs/dbraw/zinc/36/86/98/564368698.db2.gz DAEWPFZNPIJPMB-QAPCUYQASA-N 1 0 381.567 2.803 20 0 GFADRO [NH3+][C@H]1CCC[C@H](CNC(=O)c2cc(=O)c3cc(Br)ccc3[nH]2)C1 ZINC000567387688 564369968 /nfs/dbraw/zinc/36/99/68/564369968.db2.gz CVDUDNZDBFPOPT-JQWIXIFHSA-N 1 0 378.270 2.538 20 0 GFADRO CN(C(=O)NCCOc1ccc(Br)cc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000567476808 564373653 /nfs/dbraw/zinc/37/36/53/564373653.db2.gz BWHAISYNFUMNHT-YIONKMFJSA-N 1 0 382.302 2.752 20 0 GFADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CSCc2nc(C3CC3)cs2)C1 ZINC000544085757 564374134 /nfs/dbraw/zinc/37/41/34/564374134.db2.gz YFLXVADPRZEHKT-HNNXBMFYSA-N 1 0 383.583 2.727 20 0 GFADRO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)c1ccc(Br)cc1 ZINC000511532169 564375389 /nfs/dbraw/zinc/37/53/89/564375389.db2.gz CILFWDQLPNDNCT-QGZVFWFLSA-N 1 0 389.293 2.921 20 0 GFADRO C[C@H](CNS(=O)(=O)c1ccc(OCC(F)F)cc1)[N@@H+]1CCCC[C@H]1C ZINC000544120975 564376236 /nfs/dbraw/zinc/37/62/36/564376236.db2.gz VBJDAYFHFFDDES-ZIAGYGMSSA-N 1 0 376.469 2.872 20 0 GFADRO CSC[C@@H](O)C[NH2+][C@@H](C)CCc1ccc(I)cc1 ZINC000567605903 564379744 /nfs/dbraw/zinc/37/97/44/564379744.db2.gz KEKSAIUKOJVDTR-FZMZJTMJSA-N 1 0 379.307 2.926 20 0 GFADRO C[C@@H]1[NH2+]CC[C@@H]1C(=O)N(CCn1ccnc1)Cc1ccccc1Br ZINC000567611152 564379847 /nfs/dbraw/zinc/37/98/47/564379847.db2.gz LUPVPMZPFYBMLY-HOCLYGCPSA-N 1 0 391.313 2.672 20 0 GFADRO O=C(NCC[N@H+]1CC=CCC1)c1cc(=O)[nH]c2ccc(Br)cc21 ZINC000477624086 564381838 /nfs/dbraw/zinc/38/18/38/564381838.db2.gz FGULCQNJNAMCHD-UHFFFAOYSA-N 1 0 376.254 2.695 20 0 GFADRO COc1ccc(C(=O)Nc2ccc(N3CC[NH2+]CC3)cn2)c(Br)c1 ZINC000567669712 564382182 /nfs/dbraw/zinc/38/21/82/564382182.db2.gz DSDCBEUJJOLEIG-UHFFFAOYSA-N 1 0 391.269 2.515 20 0 GFADRO C[C@H](O)[C@H](C)[NH2+]C[C@@H]1CCCN1Cc1ccc(I)cc1 ZINC000567700618 564384135 /nfs/dbraw/zinc/38/41/35/564384135.db2.gz NBVQYTIUSRWDPI-XEZPLFJOSA-N 1 0 388.293 2.615 20 0 GFADRO CSC[C@H](O)C[NH2+]C1CCN(C(=O)c2ccccc2C(F)(F)F)CC1 ZINC000567710350 564384467 /nfs/dbraw/zinc/38/44/67/564384467.db2.gz JOIFJEDQJHQEMV-CYBMUJFWSA-N 1 0 376.444 2.624 20 0 GFADRO C[C@@H]([NH2+]C[C@H]1CCCCS1)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000544383718 564384670 /nfs/dbraw/zinc/38/46/70/564384670.db2.gz GNBNPZXKVARRRX-NVXWUHKLSA-N 1 0 384.567 2.644 20 0 GFADRO C[C@H]([NH2+]C[C@H]1CCCCS1)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000544383717 564384756 /nfs/dbraw/zinc/38/47/56/564384756.db2.gz GNBNPZXKVARRRX-DOTOQJQBSA-N 1 0 384.567 2.644 20 0 GFADRO O[C@H](C[NH2+]CC1(c2ccccc2Br)CC1)COC1CCOCC1 ZINC000567725978 564385258 /nfs/dbraw/zinc/38/52/58/564385258.db2.gz SQTWFKGOHDVHAD-CQSZACIVSA-N 1 0 384.314 2.627 20 0 GFADRO C[C@@H](COCC(F)(F)F)[NH2+]C[C@@H](O)COc1ccc(Br)cc1 ZINC000567725968 564385339 /nfs/dbraw/zinc/38/53/39/564385339.db2.gz RXAMXSJJVVCYHY-CMPLNLGQSA-N 1 0 386.208 2.746 20 0 GFADRO CN(CCC[NH+]1CCCC1)S(=O)(=O)c1ccc(F)cc1Br ZINC000544597782 564389812 /nfs/dbraw/zinc/38/98/12/564389812.db2.gz BXXLVTBSLFBAOF-UHFFFAOYSA-N 1 0 379.295 2.695 20 0 GFADRO CCOc1c(Br)cc(C(=O)NCCNc2cc[nH+]cc2)cc1OC ZINC000512039185 564390564 /nfs/dbraw/zinc/39/05/64/564390564.db2.gz GUOFUGFWKKEHIB-UHFFFAOYSA-N 1 0 394.269 2.515 20 0 GFADRO C[NH2+]CC1CCN(C(=O)c2ccc(-n3cc(Br)cn3)cc2)CC1 ZINC000567829785 564390992 /nfs/dbraw/zinc/39/09/92/564390992.db2.gz PNMSDQQYIQYBHS-UHFFFAOYSA-N 1 0 377.286 2.706 20 0 GFADRO CCOCCOC[C@@H](O)C[NH2+][C@H]1CCCOc2cc(Br)ccc21 ZINC000477950915 564391565 /nfs/dbraw/zinc/39/15/65/564391565.db2.gz UUDFXPXVDWESNT-HOCLYGCPSA-N 1 0 388.302 2.666 20 0 GFADRO CC[NH2+]CCCNC(=O)c1cnn(-c2ncccc2Cl)c1C(F)(F)F ZINC000567834046 564391924 /nfs/dbraw/zinc/39/19/24/564391924.db2.gz GYZQICKSRGKXBC-UHFFFAOYSA-N 1 0 375.782 2.669 20 0 GFADRO COC(=O)c1ccc(Cl)cc1S(=O)(=O)N(CCC[NH3+])CC1CCCC1 ZINC000567861613 564393103 /nfs/dbraw/zinc/39/31/03/564393103.db2.gz HROMLZWLIBTQGX-UHFFFAOYSA-N 1 0 388.917 2.656 20 0 GFADRO OCCC1(C[NH2+]C[C@@H](O)COc2ccc(Cl)cc2Br)CCC1 ZINC000567873107 564393575 /nfs/dbraw/zinc/39/35/75/564393575.db2.gz NFZWQVTVUOGMSO-CYBMUJFWSA-N 1 0 392.721 2.985 20 0 GFADRO CC(C)[C@@H](O)C(C)(C)C[NH2+]C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000567872622 564394005 /nfs/dbraw/zinc/39/40/05/564394005.db2.gz CFMWQUOJNKCOGG-GOEBONIOSA-N 1 0 392.309 2.961 20 0 GFADRO [NH3+][C@@H](Cc1ccccc1)[C@@H](O)CN1CCc2c(Br)ccc(F)c2C1 ZINC000567894525 564395074 /nfs/dbraw/zinc/39/50/74/564395074.db2.gz AOCRVGNBCWMBQF-OALUTQOASA-N 1 0 393.300 2.877 20 0 GFADRO C[C@@H](CNS(=O)(=O)c1ccc(Br)o1)[N@H+](C)Cc1ccccc1 ZINC000544714806 564395465 /nfs/dbraw/zinc/39/54/65/564395465.db2.gz OMQHXGISFOEEPF-LBPRGKRZSA-N 1 0 387.299 2.841 20 0 GFADRO CC(C)(Cc1ccc(Cl)cc1Cl)NC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000567904436 564395615 /nfs/dbraw/zinc/39/56/15/564395615.db2.gz NQVIQDGNTHQDLN-HNNXBMFYSA-N 1 0 386.323 2.689 20 0 GFADRO CN(CCCN1CC[NH+](C)CC1)C(=O)[C@@H]1CCc2cc(Br)ccc21 ZINC000567900953 564396107 /nfs/dbraw/zinc/39/61/07/564396107.db2.gz SSAHMBXQFJINMI-GOSISDBHSA-N 1 0 394.357 2.575 20 0 GFADRO C[C@@H]1CN(C(=O)[C@H]2Cc3cc(Br)ccc3O2)CC[N@@H+](C2CC2)C1 ZINC000452167162 564397275 /nfs/dbraw/zinc/39/72/75/564397275.db2.gz BJVIJRJYNYBWNK-YVEFUNNKSA-N 1 0 379.298 2.695 20 0 GFADRO O=C(c1cc(Br)ccc1OC(F)F)N1CC[NH+]2CCC1CC2 ZINC000567953289 564397867 /nfs/dbraw/zinc/39/78/67/564397867.db2.gz MTWVTVBXMOXKNU-UHFFFAOYSA-N 1 0 375.213 2.971 20 0 GFADRO [NH3+]CCc1nc(C(=O)NC[C@H](c2ccccc2Cl)N2CCCC2)cs1 ZINC000567968193 564398611 /nfs/dbraw/zinc/39/86/11/564398611.db2.gz KZFPRSXUUOXWSJ-MRXNPFEDSA-N 1 0 378.929 2.865 20 0 GFADRO C[N@@H+]1CCC[C@@]2(CCN(S(=O)(=O)c3ccc(Br)s3)C2)C1 ZINC000568113967 564405387 /nfs/dbraw/zinc/40/53/87/564405387.db2.gz FDLUNYWSGKBZLR-CYBMUJFWSA-N 1 0 379.345 2.617 20 0 GFADRO CS(=O)(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(Sc2ccccn2)o1 ZINC000512563204 564405816 /nfs/dbraw/zinc/40/58/16/564405816.db2.gz CPBINPVWGGSNCG-HUUCEWRRSA-N 1 0 381.523 2.776 20 0 GFADRO O=C(NC[C@H]1CCC[N@H+]1CCCO)c1c[nH]c2ccc(Br)cc12 ZINC000452355908 564408190 /nfs/dbraw/zinc/40/81/90/564408190.db2.gz ZHSWXTQVTCSPJD-CYBMUJFWSA-N 1 0 380.286 2.507 20 0 GFADRO Cc1cc(CCC(=O)NC[C@H]2CCC[N@@H+]2CCCO)ccc1Br ZINC000452356526 564408273 /nfs/dbraw/zinc/40/82/73/564408273.db2.gz DARIKWRKSLSYHT-MRXNPFEDSA-N 1 0 383.330 2.653 20 0 GFADRO O=C(c1ccc(C[NH+]2CCSCC2)cc1)N(CCO)C1CCSCC1 ZINC000568215790 564409268 /nfs/dbraw/zinc/40/92/68/564409268.db2.gz ALNLDGGJXXMSOX-UHFFFAOYSA-N 1 0 380.579 2.566 20 0 GFADRO O=C(NC[C@@H]1CCC[N@H+]1CCCO)c1c[nH]c2cccc(Br)c12 ZINC000452373849 564409833 /nfs/dbraw/zinc/40/98/33/564409833.db2.gz WJNXRHQURMZRAS-LBPRGKRZSA-N 1 0 380.286 2.507 20 0 GFADRO Cc1cccc(C(=O)NCC[N@H+]2CC=C(C)CC2)c1I ZINC000545162248 564410345 /nfs/dbraw/zinc/41/03/45/564410345.db2.gz BAHLBYMTWMABOC-UHFFFAOYSA-N 1 0 384.261 2.981 20 0 GFADRO CC(C)c1ccccc1OC[C@H](O)C[NH2+]Cc1ccc(S(C)(=O)=O)s1 ZINC000568255634 564410964 /nfs/dbraw/zinc/41/09/64/564410964.db2.gz SLZSBDMYXGDUHD-CQSZACIVSA-N 1 0 383.535 2.805 20 0 GFADRO CC[NH+](CC)CCCNS(=O)(=O)c1cc(Br)c(F)cc1OC ZINC000568261276 564411255 /nfs/dbraw/zinc/41/12/55/564411255.db2.gz GAFTUQATLJOBGJ-UHFFFAOYSA-N 1 0 397.310 2.607 20 0 GFADRO O=C(NC[C@@H]1CCCC[N@H+]1CCO)c1cc(Cl)cc(Br)c1 ZINC000452383963 564411676 /nfs/dbraw/zinc/41/16/76/564411676.db2.gz BDCUUKNPBHTAIL-AWEZNQCLSA-N 1 0 375.694 2.679 20 0 GFADRO C[C@@H](Cc1ccc(Br)cc1)C(=O)NC[C@@H]1CCCC[N@@H+]1CCO ZINC000452379126 564411760 /nfs/dbraw/zinc/41/17/60/564411760.db2.gz QITANOYGFLBITD-YOEHRIQHSA-N 1 0 383.330 2.591 20 0 GFADRO O=C(NC[C@@H]1CCCC[N@H+]1CCO)c1cc2cc(Br)ccc2o1 ZINC000452391901 564413210 /nfs/dbraw/zinc/41/32/10/564413210.db2.gz QRLNUGOXMCERSZ-AWEZNQCLSA-N 1 0 381.270 2.772 20 0 GFADRO Cc1ncccc1C[NH2+]CCCNS(=O)(=O)c1ccccc1Br ZINC000512864485 564414833 /nfs/dbraw/zinc/41/48/33/564414833.db2.gz MVNOEQWPXMLZLM-UHFFFAOYSA-N 1 0 398.326 2.611 20 0 GFADRO O=S(=O)(NCC[NH2+]Cc1cc(O)cc(F)c1)c1cccc(Cl)c1Cl ZINC000512869527 564414938 /nfs/dbraw/zinc/41/49/38/564414938.db2.gz UJOPCVUYYVBGGU-UHFFFAOYSA-N 1 0 393.267 2.906 20 0 GFADRO Cc1c(Br)cccc1CC(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000478875967 564416948 /nfs/dbraw/zinc/41/69/48/564416948.db2.gz YANUOSRBGLXMNG-UHFFFAOYSA-N 1 0 383.330 2.605 20 0 GFADRO C[N@H+](CC(=O)N[C@@H](CCO)c1cccc(C(F)(F)F)c1)[C@H]1CCSC1 ZINC000452533032 564418809 /nfs/dbraw/zinc/41/88/09/564418809.db2.gz LMPPJUBCBKQNKU-GJZGRUSLSA-N 1 0 376.444 2.682 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)c1ncc(Br)cc1Br)C1CC1 ZINC000545382603 564420693 /nfs/dbraw/zinc/42/06/93/564420693.db2.gz AGTOQYAXIVSMIJ-LLVKDONJSA-N 1 0 391.107 2.677 20 0 GFADRO COC(=O)C[C@](C)([NH2+]CCc1ccnn1C)c1ccc(Br)cc1 ZINC000513121524 564421229 /nfs/dbraw/zinc/42/12/29/564421229.db2.gz FFZSCCWTLVIYCT-KRWDZBQOSA-N 1 0 380.286 2.793 20 0 GFADRO COC(=O)C[C@](C)([NH2+]CC(=O)N(C)CC1CC1)c1ccc(Br)cc1 ZINC000513145559 564422047 /nfs/dbraw/zinc/42/20/47/564422047.db2.gz VCYZQGLMCLIVBB-SFHVURJKSA-N 1 0 397.313 2.685 20 0 GFADRO Cc1cccc(C[C@H](CO)[NH2+]C[C@H](O)COc2ccc(Br)cc2)c1 ZINC000568511713 564422374 /nfs/dbraw/zinc/42/23/74/564422374.db2.gz SSKHYEFJJFYFIV-MSOLQXFVSA-N 1 0 394.309 2.690 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000479035718 564423451 /nfs/dbraw/zinc/42/34/51/564423451.db2.gz SPWGSWWPPHDGRE-SMDDNHRTSA-N 1 0 382.302 2.549 20 0 GFADRO CN(C)C(=O)CN1CCC([NH2+][C@@H]2CCCc3cc(Br)ccc32)CC1 ZINC000479060709 564424292 /nfs/dbraw/zinc/42/42/92/564424292.db2.gz NFVQRENMAFSYTO-GOSISDBHSA-N 1 0 394.357 2.969 20 0 GFADRO CO[C@H](C)C[N@H+](C)[C@H](C)C(=O)Nc1ccc(I)cc1 ZINC000513265568 564425876 /nfs/dbraw/zinc/42/58/76/564425876.db2.gz GKDJFMUKSJHPPQ-GHMZBOCLSA-N 1 0 376.238 2.585 20 0 GFADRO CN(C(=O)c1cccn1-c1ccc(I)cc1)[C@@H]1CC[NH2+]C1 ZINC000568619003 564426761 /nfs/dbraw/zinc/42/67/61/564426761.db2.gz CMBCMJNYBUOYDM-CQSZACIVSA-N 1 0 395.244 2.516 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)Cc2csc(-c3cccs3)n2)CC12CCOCC2 ZINC000568626654 564427749 /nfs/dbraw/zinc/42/77/49/564427749.db2.gz KPEDJYPGGUBCMS-ZDUSSCGKSA-N 1 0 377.535 2.628 20 0 GFADRO CS(=O)(=O)[C@H]1CCC[C@H]([NH2+]C2CC(N3CCC(C(F)(F)F)CC3)C2)C1 ZINC000513347227 564427770 /nfs/dbraw/zinc/42/77/70/564427770.db2.gz GPLCBJNGFPGLHR-LBDPXKHJSA-N 1 0 382.492 2.737 20 0 GFADRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)CCc1nc(-c2cc(Br)cs2)no1 ZINC000568630520 564428010 /nfs/dbraw/zinc/42/80/10/564428010.db2.gz QQGZKFSCERPDED-RKDXNWHRSA-N 1 0 387.303 2.735 20 0 GFADRO CCn1c(CNC(=O)N(C)CC[NH+](C)C)nc2cc(Br)ccc21 ZINC000479158826 564428528 /nfs/dbraw/zinc/42/85/28/564428528.db2.gz MNBWQGMATZZMPN-UHFFFAOYSA-N 1 0 382.306 2.522 20 0 GFADRO O=S(=O)(NCCC[NH2+]Cc1c(F)ccc(O)c1F)c1ccccc1Cl ZINC000513456863 564430128 /nfs/dbraw/zinc/43/01/28/564430128.db2.gz SGUOTLCTIIKBDH-UHFFFAOYSA-N 1 0 390.839 2.782 20 0 GFADRO O=S(=O)(CC[NH2+]Cc1ccccc1CO)c1cccc(Br)c1 ZINC000568748580 564433366 /nfs/dbraw/zinc/43/33/66/564433366.db2.gz CAXWNTBMJBPBQM-UHFFFAOYSA-N 1 0 384.295 2.505 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCCCn2cc(Br)cn2)C[C@@H]1C ZINC000513603193 564433976 /nfs/dbraw/zinc/43/39/76/564433976.db2.gz NCVIMZJEUDKFNK-DZGCQCFKSA-N 1 0 386.338 2.550 20 0 GFADRO CC[NH2+][C@H](C)CNC(=O)C(=O)Nc1ccc(Br)cc1C(F)(F)F ZINC000479329196 564436208 /nfs/dbraw/zinc/43/62/08/564436208.db2.gz GLBWDDPRFUHZBG-MRVPVSSYSA-N 1 0 396.207 2.521 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)C(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000479328431 564436241 /nfs/dbraw/zinc/43/62/41/564436241.db2.gz XCHXVENOANTBHL-CYBMUJFWSA-N 1 0 396.329 2.941 20 0 GFADRO O=C(NC[C@@H]1CCCC[N@H+]1CCO)Nc1ccc(Br)c(C2CC2)n1 ZINC000568843313 564437284 /nfs/dbraw/zinc/43/72/84/564437284.db2.gz DQQMFURDMAPTRM-ZDUSSCGKSA-N 1 0 397.317 2.690 20 0 GFADRO Nc1c(Br)cc(Br)cc1C[NH2+]C[C@@H](CO)C1CC1 ZINC000568922368 564440630 /nfs/dbraw/zinc/44/06/30/564440630.db2.gz PRQOWHLUVVOUAX-JTQLQIEISA-N 1 0 378.108 2.902 20 0 GFADRO CCC[NH2+]CCNC(=O)C(=O)Nc1ccc(Br)cc1C(F)(F)F ZINC000513847838 564441188 /nfs/dbraw/zinc/44/11/88/564441188.db2.gz UWJQWZNHPQZZNL-UHFFFAOYSA-N 1 0 396.207 2.522 20 0 GFADRO O=S(=O)(N1CC[NH+](C[C@@H]2CCCC(F)(F)C2)CC1)N1CCCCCC1 ZINC000513967809 564444000 /nfs/dbraw/zinc/44/40/00/564444000.db2.gz QLJSRJFOGCDRDV-MRXNPFEDSA-N 1 0 379.517 2.550 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(C(=O)CCNc3ncc(C(F)(F)F)cc3Cl)C[C@@H]21 ZINC000453041676 564445066 /nfs/dbraw/zinc/44/50/66/564445066.db2.gz UYEIVVPRGPRXJE-MFKMUULPSA-N 1 0 376.810 2.718 20 0 GFADRO C[C@H](C[NH2+][C@H](C)c1ccc(F)c(I)c1)N1CCOCC1 ZINC000453061080 564445558 /nfs/dbraw/zinc/44/55/58/564445558.db2.gz CTPJEFBCVVELAY-VXGBXAGGSA-N 1 0 392.256 2.802 20 0 GFADRO CCS(=O)(=O)N(C)CCC[NH2+][C@H](Cc1ccccc1Cl)[C@H]1CCCO1 ZINC000453067167 564445906 /nfs/dbraw/zinc/44/59/06/564445906.db2.gz XFPHKHLTELVMIT-QZTJIDSGSA-N 1 0 388.961 2.691 20 0 GFADRO CC(C)([NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1)c1ccccc1Br ZINC000514153306 564446433 /nfs/dbraw/zinc/44/64/33/564446433.db2.gz FJZSHHDKYCVWMS-LBPRGKRZSA-N 1 0 375.332 2.555 20 0 GFADRO C[C@H](Cc1cnccn1)[NH2+]CCC(=O)N(C)Cc1ccccc1Br ZINC000453117093 564446740 /nfs/dbraw/zinc/44/67/40/564446740.db2.gz UPJUVPPJLXJBRB-CQSZACIVSA-N 1 0 391.313 2.808 20 0 GFADRO C[NH+](C)[C@@]1(CNC(=O)N2CCc3cc(Br)ccc3C2)CCSC1 ZINC000479684857 564447741 /nfs/dbraw/zinc/44/77/41/564447741.db2.gz ARGCNCJSLZDPBH-QGZVFWFLSA-N 1 0 398.370 2.954 20 0 GFADRO COc1cc(C)c(C[NH2+]C[C@H](O)COc2ccccc2Br)c(C)n1 ZINC000514238034 564447824 /nfs/dbraw/zinc/44/78/24/564447824.db2.gz PKHANUZVQQQFEI-AWEZNQCLSA-N 1 0 395.297 2.999 20 0 GFADRO COc1cc(C)c(C[NH2+]CCNC(=O)c2cccc(Br)c2)c(C)n1 ZINC000514234438 564447982 /nfs/dbraw/zinc/44/79/82/564447982.db2.gz ODGBQTLKSPLKFI-UHFFFAOYSA-N 1 0 392.297 2.989 20 0 GFADRO C[C@@H]([NH2+]CCc1ccc(S(=O)(=O)N2CCCCC2)s1)c1ccncn1 ZINC000453121904 564448070 /nfs/dbraw/zinc/44/80/70/564448070.db2.gz PSSWSMAPTNOXBP-CQSZACIVSA-N 1 0 380.539 2.606 20 0 GFADRO CCOc1ccc(S(=O)(=O)NC2(C[NH+](C)C)CCC2)cc1Br ZINC000546197790 564448680 /nfs/dbraw/zinc/44/86/80/564448680.db2.gz QPWVNIXXAMWFGD-UHFFFAOYSA-N 1 0 391.331 2.610 20 0 GFADRO O=S1(=O)CC[C@@](O)(C[NH2+][C@@H](Cc2ccc(Cl)cc2)c2ccccc2)C1 ZINC000453278159 564452149 /nfs/dbraw/zinc/45/21/49/564452149.db2.gz PCNIGRCKWHUEEN-RBUKOAKNSA-N 1 0 379.909 2.763 20 0 GFADRO Cc1ccc(C[C@H](CO)C[NH2+][C@H](C)c2ccc(=O)[nH]n2)cc1Br ZINC000453344155 564453888 /nfs/dbraw/zinc/45/38/88/564453888.db2.gz DAEPHADVBVURCC-OCCSQVGLSA-N 1 0 380.286 2.755 20 0 GFADRO CC(C)[N@@H+]1CC[C@H](CNCc2cn(-c3ccccc3Br)nn2)C1 ZINC000514696539 564454703 /nfs/dbraw/zinc/45/47/03/564454703.db2.gz MDUURSFZSMIJCH-CQSZACIVSA-N 1 0 378.318 2.850 20 0 GFADRO COc1ccc(Br)cc1C[C@@H](CO)C[NH2+][C@H](C)c1ccnn1C ZINC000453393968 564456439 /nfs/dbraw/zinc/45/64/39/564456439.db2.gz ZTCUJZIFRMWFCT-CHWSQXEVSA-N 1 0 382.302 2.693 20 0 GFADRO CC[C@H](C)[NH+]1CCN(c2nnc(-c3cc(Br)cn3C)n2CC)CC1 ZINC000453460034 564456801 /nfs/dbraw/zinc/45/68/01/564456801.db2.gz DWFHBLSANODQOT-ZDUSSCGKSA-N 1 0 395.349 2.987 20 0 GFADRO C[C@@H](CCc1ccc(I)cc1)[NH2+]C[C@]1(C)CCC(=O)N1 ZINC000453434946 564457471 /nfs/dbraw/zinc/45/74/71/564457471.db2.gz TXNUNCQDEXUBJG-LRDDRELGSA-N 1 0 386.277 2.871 20 0 GFADRO Cc1ccc(F)c(Br)c1NC(=O)C(=O)NCCC[N@@H+](C)C(C)C ZINC000453567706 564458467 /nfs/dbraw/zinc/45/84/67/564458467.db2.gz ANPJDTGBYZLTJI-UHFFFAOYSA-N 1 0 388.281 2.682 20 0 GFADRO Ic1cccc2ncnc(N3CCC([NH2+]C4CC4)CC3)c12 ZINC000546581040 564459869 /nfs/dbraw/zinc/45/98/69/564459869.db2.gz UVYJNEUOVGKKLH-UHFFFAOYSA-N 1 0 394.260 2.955 20 0 GFADRO O[C@@H](COc1c(Cl)cccc1Cl)C[N@@H+]1CCC[C@@H](N2CCOCC2)C1 ZINC000569376020 564460782 /nfs/dbraw/zinc/46/07/82/564460782.db2.gz KNIPKNUAWSCIOF-HUUCEWRRSA-N 1 0 389.323 2.530 20 0 GFADRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)[C@@H]3C[C@]34CCc3cc(Br)ccc34)C[C@H]12 ZINC000514932551 564462599 /nfs/dbraw/zinc/46/25/99/564462599.db2.gz KWSPRWTVSYFUCI-AAPYTKQESA-N 1 0 375.310 2.849 20 0 GFADRO C[N@@H+]1CCC[C@@H](CNC(=O)N2CCc3c(F)ccc(Br)c3C2)C1 ZINC000569429251 564462723 /nfs/dbraw/zinc/46/27/23/564462723.db2.gz LFDNKAJKRJWOPM-LBPRGKRZSA-N 1 0 384.293 2.998 20 0 GFADRO COc1cc(I)c(Cl)cc1C(=O)N[C@@H](C)C[NH+](C)C ZINC000569465855 564464633 /nfs/dbraw/zinc/46/46/33/564464633.db2.gz VRIUINZBEQUICD-QMMMGPOBSA-N 1 0 396.656 2.633 20 0 GFADRO CC(C)c1ncsc1NC(=O)C(=O)N(CC[NH+](C)C)Cc1cccs1 ZINC000453681114 564464705 /nfs/dbraw/zinc/46/47/05/564464705.db2.gz ZHOBVDVQHUKDAZ-UHFFFAOYSA-N 1 0 380.539 2.857 20 0 GFADRO C[C@H](CC[NH+](C)C)N[C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000480234128 564465321 /nfs/dbraw/zinc/46/53/21/564465321.db2.gz WRDVQESSMBYHSZ-BXUZGUMPSA-N 1 0 375.332 2.597 20 0 GFADRO O=C(NCCC[NH2+]Cc1c[nH]c2nccnc12)c1ccc(Br)cc1 ZINC000569515617 564466706 /nfs/dbraw/zinc/46/67/06/564466706.db2.gz LZOCAKQDWZLFME-UHFFFAOYSA-N 1 0 388.269 2.582 20 0 GFADRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)Nc1ccc(-c2ccc(Br)s2)nn1 ZINC000569556704 564468787 /nfs/dbraw/zinc/46/87/87/564468787.db2.gz VWDCFAXJKNLWOB-NXEZZACHSA-N 1 0 396.314 3.169 20 0 GFADRO COC[C@@H](C)OC[C@H](O)C[NH2+]CCc1cc(Cl)ccc1Br ZINC000569569085 564469923 /nfs/dbraw/zinc/46/99/23/564469923.db2.gz VJPMHMGOEMFFNV-BXUZGUMPSA-N 1 0 380.710 2.647 20 0 GFADRO O=C(COC1CC[NH2+]CC1)Nc1ccnn1Cc1ccc(Cl)cc1Cl ZINC000515164870 564470335 /nfs/dbraw/zinc/47/03/35/564470335.db2.gz VSVCCNBISLRPDZ-UHFFFAOYSA-N 1 0 383.279 2.945 20 0 GFADRO CC(C)(C)c1ccc(OC[C@H](O)C[NH2+]CCn2cc(Br)cn2)cc1 ZINC000515188245 564471137 /nfs/dbraw/zinc/47/11/37/564471137.db2.gz ZXRJJTBQWDYXBP-MRXNPFEDSA-N 1 0 396.329 2.973 20 0 GFADRO C[C@]1(C[NH2+]C[C@H](O)COc2cc(F)cc(Br)c2)CCCC[C@H]1O ZINC000569605642 564471574 /nfs/dbraw/zinc/47/15/74/564471574.db2.gz MMPIBPWEBUFRFY-USXIJHARSA-N 1 0 390.293 2.859 20 0 GFADRO O[C@H](C[NH2+][C@@H]1CCO[C@]2(CCOC2)C1)COc1c(Cl)cccc1Cl ZINC000515347662 564476209 /nfs/dbraw/zinc/47/62/09/564476209.db2.gz LTCNIODNIHIKNE-PBFPGSCMSA-N 1 0 376.280 2.661 20 0 GFADRO Cc1ccsc1S(=O)(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000569783989 564477888 /nfs/dbraw/zinc/47/78/88/564477888.db2.gz JEFLAWRIFXSDEB-QGZVFWFLSA-N 1 0 380.535 2.626 20 0 GFADRO CN(CCn1cc(Br)cn1)C(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000515433289 564479219 /nfs/dbraw/zinc/47/92/19/564479219.db2.gz RAFBROSBCJOFFK-INIZCTEOSA-N 1 0 391.313 2.626 20 0 GFADRO C[NH2+][C@H](CC(C)(C)C)C(=O)NC[C@H](O)COc1cccc(Cl)c1Cl ZINC000569840771 564480410 /nfs/dbraw/zinc/48/04/10/564480410.db2.gz HDRSWSKLRKTNRZ-WCQYABFASA-N 1 0 377.312 2.874 20 0 GFADRO Cc1cc(Br)oc1C(=O)Nc1c[nH+]ccc1N1CCN(C)CC1 ZINC000515576337 564482967 /nfs/dbraw/zinc/48/29/67/564482967.db2.gz UJXYFFOMRWSMSR-UHFFFAOYSA-N 1 0 379.258 2.750 20 0 GFADRO CN1CCN(C(=O)Nc2cc(Br)cc(C(F)(F)F)c2)[C@H](C[NH3+])C1 ZINC000515615759 564483879 /nfs/dbraw/zinc/48/38/79/564483879.db2.gz OZMXBIUYBBAYHJ-GFCCVEGCSA-N 1 0 395.223 2.575 20 0 GFADRO C[C@H](CC(=O)NC[C@]1(O)C[NH+]2CCC1CC2)c1ccc(F)c(Br)c1 ZINC000569942046 564485111 /nfs/dbraw/zinc/48/51/11/564485111.db2.gz YCFKENLWQTZXFQ-XIKOKIGWSA-N 1 0 399.304 2.655 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000570041023 564488200 /nfs/dbraw/zinc/48/82/00/564488200.db2.gz FUHSGJFSUQHTEF-ZDUSSCGKSA-N 1 0 377.286 2.673 20 0 GFADRO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000570035326 564488608 /nfs/dbraw/zinc/48/86/08/564488608.db2.gz QJYRPZOIOABWBG-XJKCOSOUSA-N 1 0 394.313 2.543 20 0 GFADRO CN1CC[NH2+]C[C@@H]1CNC(=O)c1csc(-c2ccc(Cl)c(Cl)c2)n1 ZINC000570036985 564488734 /nfs/dbraw/zinc/48/87/34/564488734.db2.gz DKUIMGXJVLYOSZ-LLVKDONJSA-N 1 0 385.320 2.750 20 0 GFADRO Cc1nc(-c2cc3c(s2)CCN(C(=O)C[NH2+]C[C@H]2CCCO2)C3)cs1 ZINC000570043331 564488843 /nfs/dbraw/zinc/48/88/43/564488843.db2.gz UHYXAYSCPRHQQW-CQSZACIVSA-N 1 0 377.535 2.833 20 0 GFADRO CCS(=O)(=O)c1c(Cl)cccc1C[NH2+][C@H]1CCN(CC(F)(F)F)C1 ZINC000547499494 564490894 /nfs/dbraw/zinc/49/08/94/564490894.db2.gz CMSDJEDYRMAMQV-LBPRGKRZSA-N 1 0 384.851 2.860 20 0 GFADRO CC1(C)[C@H]([NH2+]C[C@H](O)COc2cc(F)cc(Br)c2)[C@H]2CCO[C@H]21 ZINC000516148286 564494966 /nfs/dbraw/zinc/49/49/66/564494966.db2.gz DJECJGONHZPPPY-LCGIIJARSA-N 1 0 388.277 2.731 20 0 GFADRO CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000570188070 564495251 /nfs/dbraw/zinc/49/52/51/564495251.db2.gz YAXCIVLSOSEYJZ-YOENINGUSA-N 1 0 382.302 2.528 20 0 GFADRO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)NCc1cc(Br)cc2c1OCC2 ZINC000570212078 564496359 /nfs/dbraw/zinc/49/63/59/564496359.db2.gz AQRXTRBPLSSYGR-GFCCVEGCSA-N 1 0 384.318 2.912 20 0 GFADRO O=C(NC[C@@H]1C[NH2+]CCO1)c1ccccc1Oc1cccc(Br)c1 ZINC000516273972 564498547 /nfs/dbraw/zinc/49/85/47/564498547.db2.gz JFSCPMBOYQSIFC-HNNXBMFYSA-N 1 0 391.265 2.960 20 0 GFADRO Cc1cccc(NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C(C)C)C2)c1Br ZINC000454113620 564498581 /nfs/dbraw/zinc/49/85/81/564498581.db2.gz WEFBXQUTFRYZIK-ZDUSSCGKSA-N 1 0 382.302 2.637 20 0 GFADRO COc1ccc([C@H](C)NC(=O)N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)cc1Br ZINC000454183110 564502104 /nfs/dbraw/zinc/50/21/04/564502104.db2.gz OWUKHTJSLZCAAU-CORIIIEPSA-N 1 0 382.302 2.864 20 0 GFADRO Cc1cc(F)c(Br)cc1S(=O)(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000481068181 564502308 /nfs/dbraw/zinc/50/23/08/564502308.db2.gz HKLRLVSAHFAAKU-UONOGXRCSA-N 1 0 391.306 2.802 20 0 GFADRO CC[C@@H](CO)[NH+]1CCN(c2cc(C(F)(F)F)c(Br)cn2)CC1 ZINC000516458707 564502505 /nfs/dbraw/zinc/50/25/05/564502505.db2.gz GNQQWJRTSXVLEL-JTQLQIEISA-N 1 0 382.224 2.756 20 0 GFADRO C[NH+](C)[C@]1(CNC(=O)NCc2ccccc2OC(F)(F)F)CCSC1 ZINC000481251601 564507523 /nfs/dbraw/zinc/50/75/23/564507523.db2.gz BUCCHWKJAXDCGP-HNNXBMFYSA-N 1 0 377.432 2.822 20 0 GFADRO Cc1csc(C(=O)N[C@@H]2[C@H](C)CC[NH2+][C@H]2C)c1I ZINC000516644851 564507990 /nfs/dbraw/zinc/50/79/90/564507990.db2.gz LWEFKHIFDKOJAO-POZPLHJXSA-N 1 0 378.279 2.777 20 0 GFADRO C[C@@H](NS(=O)(=O)c1ccc(C[NH+](C)C)cc1)c1ccc(Br)cn1 ZINC000481266829 564508591 /nfs/dbraw/zinc/50/85/91/564508591.db2.gz HWMVDOHZPNGNNT-GFCCVEGCSA-N 1 0 398.326 2.945 20 0 GFADRO CSc1ccc(CNc2cccc(S(=O)(=O)NCC[NH+](C)C)c2)s1 ZINC000516690151 564510084 /nfs/dbraw/zinc/51/00/84/564510084.db2.gz ZKWZQORRBNSGHX-UHFFFAOYSA-N 1 0 385.580 2.922 20 0 GFADRO C[C@@H]1C[C@H](C)[N@H+]1CC(=O)N1CCN(Cc2ccc(Br)s2)CC1 ZINC000547770836 564510766 /nfs/dbraw/zinc/51/07/66/564510766.db2.gz QDTRVULYRVAZSL-BETUJISGSA-N 1 0 386.359 2.638 20 0 GFADRO CC[C@H](CC(F)(F)F)[NH2+]C1CCN(S(=O)(=O)c2c(C)n[nH]c2C)CC1 ZINC000547848866 564513334 /nfs/dbraw/zinc/51/33/34/564513334.db2.gz JVEUCVVFOCWFAF-GFCCVEGCSA-N 1 0 382.452 2.500 20 0 GFADRO C[C@H](C[C@H]1CCCO1)[NH2+]C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000570675949 564515905 /nfs/dbraw/zinc/51/59/05/564515905.db2.gz VXUPUIXIWCZLJU-BYCMXARLSA-N 1 0 376.266 2.875 20 0 GFADRO O=C(CCc1nc2cc(Cl)ccc2s1)NC[C@H]1CCC[N@H+]1CCCO ZINC000516908754 564516428 /nfs/dbraw/zinc/51/64/28/564516428.db2.gz AVDNQNULBLSOOU-CQSZACIVSA-N 1 0 381.929 2.845 20 0 GFADRO CC(=O)N1CCC(C[NH2+]C[C@@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000570675673 564516494 /nfs/dbraw/zinc/51/64/94/564516494.db2.gz QYXLUUNBPLXBCV-OAHLLOKOSA-N 1 0 375.296 2.581 20 0 GFADRO C[C@@H]([NH3+])C1CCN(C(=O)c2ccc(-n3cc(Br)cn3)cc2)CC1 ZINC000570681092 564517357 /nfs/dbraw/zinc/51/73/57/564517357.db2.gz ADKYVJSQGZLZIM-GFCCVEGCSA-N 1 0 377.286 2.834 20 0 GFADRO CC[C@H]([NH2+][C@H](CO)CC(F)(F)F)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000481670133 564519197 /nfs/dbraw/zinc/51/91/97/564519197.db2.gz WEPADTUDLCVAHB-JQWIXIFHSA-N 1 0 388.839 2.602 20 0 GFADRO CS[C@H]1CN(C(=O)c2cc(C)n(-c3ccc(Cl)cc3)n2)C[C@@H]1[NH+](C)C ZINC000481724709 564520850 /nfs/dbraw/zinc/52/08/50/564520850.db2.gz NDOYRQGADLYKHE-IRXDYDNUSA-N 1 0 378.929 2.952 20 0 GFADRO COCCN(CC[NH+](C)C)C(=O)[C@H](C)Cc1ccc(F)c(Br)c1 ZINC000481775094 564523093 /nfs/dbraw/zinc/52/30/93/564523093.db2.gz DKWGKDUKVWZWQL-CYBMUJFWSA-N 1 0 389.309 2.803 20 0 GFADRO CN(C(=O)Nc1cccc(Oc2ncc(Br)cn2)c1)[C@H]1CC[NH2+]C1 ZINC000517093343 564524531 /nfs/dbraw/zinc/52/45/31/564524531.db2.gz VZMLKBBBXNVDTF-ZDUSSCGKSA-N 1 0 392.257 2.857 20 0 GFADRO CC[C@@H](Cc1ccccc1Br)[N@H+](C)CC(=O)NC(=O)NC1CC1 ZINC000481819638 564525108 /nfs/dbraw/zinc/52/51/08/564525108.db2.gz ALSLEYDNVGXHCY-AWEZNQCLSA-N 1 0 382.302 2.690 20 0 GFADRO [NH3+][C@@H]1CCN(CC(=O)Nc2ccc(Oc3ccc(Br)cc3)nc2)C1 ZINC000517236706 564528962 /nfs/dbraw/zinc/52/89/62/564528962.db2.gz IARIIRVERLVTHH-CYBMUJFWSA-N 1 0 391.269 2.608 20 0 GFADRO CC[NH+](CC)CCS(=O)(=O)NC1(c2ccc(Br)cc2)CC1 ZINC000517265250 564530367 /nfs/dbraw/zinc/53/03/67/564530367.db2.gz UYBKSEGFDYGFHG-UHFFFAOYSA-N 1 0 375.332 2.699 20 0 GFADRO CC[NH+](CC)CC[C@@H](CO)NC(=O)[C@H](C)Oc1cc(Cl)cc(Cl)c1 ZINC000570989543 564530554 /nfs/dbraw/zinc/53/05/54/564530554.db2.gz HFQSHSHBEGGTGS-WFASDCNBSA-N 1 0 377.312 2.970 20 0 GFADRO C[C@H]1CC[N@H+](CCNC(=O)CNC(=O)c2sc3ccccc3c2Cl)C1 ZINC000548107238 564531119 /nfs/dbraw/zinc/53/11/19/564531119.db2.gz DRHZRCVXPCTPHT-LBPRGKRZSA-N 1 0 379.913 2.743 20 0 GFADRO COCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(Br)cc2OC(C)C)C1 ZINC000517407060 564532657 /nfs/dbraw/zinc/53/26/57/564532657.db2.gz OXOYRMGDXJXABE-CQSZACIVSA-N 1 0 385.302 2.687 20 0 GFADRO CC[N@H+](C)C[C@@H](O)CN1CCC(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000517387852 564532681 /nfs/dbraw/zinc/53/26/81/564532681.db2.gz OPXCIZLQPRLTEZ-OAHLLOKOSA-N 1 0 388.339 2.957 20 0 GFADRO CCCOC[C@@H](Cc1cccc(Br)c1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC000548142657 564533006 /nfs/dbraw/zinc/53/30/06/564533006.db2.gz CIGSVQCSZYZDIY-DOTOQJQBSA-N 1 0 383.330 2.855 20 0 GFADRO CCC(CC)(C[NH3+])C(=O)NCc1ccc(Br)cc1N1CCOCC1 ZINC000571094095 564535446 /nfs/dbraw/zinc/53/54/46/564535446.db2.gz YHEHXKPGKKZQRA-UHFFFAOYSA-N 1 0 398.345 2.667 20 0 GFADRO O=C(NC[C@@H]1CCCC[N@H+]1CCO)Nc1cc(F)c(Br)c(F)c1 ZINC000455080198 564536045 /nfs/dbraw/zinc/53/60/45/564536045.db2.gz URBTXEGQFHTVRQ-NSHDSACASA-N 1 0 392.244 2.696 20 0 GFADRO Cc1c(C(=O)NCCC[C@@H]2CCC[NH2+]2)nnn1-c1cccc(Br)c1 ZINC000517555538 564536887 /nfs/dbraw/zinc/53/68/87/564536887.db2.gz FWUQCEWHUUDDDK-AWEZNQCLSA-N 1 0 392.301 2.600 20 0 GFADRO Cc1cc(Br)c(NC(=O)NC[C@H]2C[NH2+]CCCO2)cc1Cl ZINC000571180623 564539209 /nfs/dbraw/zinc/53/92/09/564539209.db2.gz NBUQMQUPOKPUAF-SNVBAGLBSA-N 1 0 376.682 2.911 20 0 GFADRO COCC[N@@H+]1CC[C@@H](NC(=O)N[C@@H](c2ccc(Cl)cc2)C(F)(F)F)C1 ZINC000482331358 564540833 /nfs/dbraw/zinc/54/08/33/564540833.db2.gz JXAZVGQQQMWCQL-KGLIPLIRSA-N 1 0 379.810 2.963 20 0 GFADRO C[C@H]1CCN(C(=O)c2ccc(-n3cc(Br)cn3)cc2)C[C@H]1C[NH3+] ZINC000517731042 564541101 /nfs/dbraw/zinc/54/11/01/564541101.db2.gz DDOGLPPASKQCGY-GXTWGEPZSA-N 1 0 377.286 2.692 20 0 GFADRO O=C(Nc1cnns1)N(CCn1ccnc1)Cc1ccc(Br)o1 ZINC000482370496 564542063 /nfs/dbraw/zinc/54/20/63/564542063.db2.gz XFIKWQSDTVUPRP-UHFFFAOYSA-N 1 0 397.258 2.824 20 0 GFADRO CC[NH+](CC)[C@@H]1CCN(C(=O)NCc2nc(C)c(Br)s2)C1 ZINC000455228566 564544005 /nfs/dbraw/zinc/54/40/05/564544005.db2.gz KANMTGAYQKDXJK-LLVKDONJSA-N 1 0 375.336 2.840 20 0 GFADRO C[C@@H]1CN(CCO)CCN1C(=O)Nc1cccc(Cl)c1Br ZINC000455252031 564544608 /nfs/dbraw/zinc/54/46/08/564544608.db2.gz KIUYJFGPNWYIOF-SNVBAGLBSA-N 1 0 376.682 2.633 20 0 GFADRO O[C@@H](C[NH2+]CCCCn1ccnc1)COc1cc(F)cc(Br)c1 ZINC000571315477 564545506 /nfs/dbraw/zinc/54/55/06/564545506.db2.gz IMSXYVRQFVLHGD-HNNXBMFYSA-N 1 0 386.265 2.594 20 0 GFADRO C[C@@H]([NH2+]CCCN1CCC[C@@H]1C(N)=O)c1cc(Cl)ccc1OC(F)F ZINC000482631580 564547147 /nfs/dbraw/zinc/54/71/47/564547147.db2.gz SMEBDRMHJYGKSD-BXUZGUMPSA-N 1 0 375.847 2.932 20 0 GFADRO CCN(CC)S(=O)(=O)CC[NH2+][C@@H](C)c1ccc(OC(F)F)c(OC)c1 ZINC000482642300 564547226 /nfs/dbraw/zinc/54/72/26/564547226.db2.gz AZGNCCABBAKMRN-LBPRGKRZSA-N 1 0 380.457 2.619 20 0 GFADRO Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000518265254 564549803 /nfs/dbraw/zinc/54/98/03/564549803.db2.gz VWKPILYHKLUXER-NSHDSACASA-N 1 0 378.826 2.997 20 0 GFADRO O=C(c1cc2c(c(Br)c1)OCO2)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000571439478 564551883 /nfs/dbraw/zinc/55/18/83/564551883.db2.gz NVJAXCWMMFUXTA-RYUDHWBXSA-N 1 0 381.270 2.640 20 0 GFADRO O=S1(=O)CC[C@H]([NH2+][C@@H]2CCc3n[nH]cc3C2)c2cc(Br)ccc21 ZINC000548483625 564554000 /nfs/dbraw/zinc/55/40/00/564554000.db2.gz ZLAJNGPWMOLFDJ-DOMZBBRYSA-N 1 0 396.310 2.538 20 0 GFADRO CC[C@@H](C(=O)N(CCO)Cc1ccc(Br)s1)[NH+](CC)CC ZINC000482983042 564555294 /nfs/dbraw/zinc/55/52/94/564555294.db2.gz RMYWFZSKIMYQCS-ZDUSSCGKSA-N 1 0 377.348 2.952 20 0 GFADRO [NH3+]CCCOC1CCN(C(=O)CSc2cccc(Br)c2)CC1 ZINC000571521184 564555619 /nfs/dbraw/zinc/55/56/19/564555619.db2.gz YMBTWRQIDGGHIB-UHFFFAOYSA-N 1 0 387.343 2.898 20 0 GFADRO O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)N[C@H]1CCc2sc(Cl)cc21 ZINC000571538650 564556186 /nfs/dbraw/zinc/55/61/86/564556186.db2.gz GUXBKPQVBOJSBK-CMPLNLGQSA-N 1 0 396.866 2.524 20 0 GFADRO CCCC[NH+]1CCC(NC(=O)c2ccc(I)cn2)CC1 ZINC000455571108 564557861 /nfs/dbraw/zinc/55/78/61/564557861.db2.gz ADNZKVMCLDGPOY-UHFFFAOYSA-N 1 0 387.265 2.681 20 0 GFADRO C[C@H](NC(=O)N1CCC(C[NH+]2CCCC2)CC1)c1ncc(Br)cn1 ZINC000571618598 564559320 /nfs/dbraw/zinc/55/93/20/564559320.db2.gz AJSLHFJQKYQNKZ-ZDUSSCGKSA-N 1 0 396.333 2.818 20 0 GFADRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(-n2cc(Br)cn2)cc1 ZINC000571634890 564560102 /nfs/dbraw/zinc/56/01/02/564560102.db2.gz ONIDVWZQXCWQPO-BBRMVZONSA-N 1 0 377.286 2.882 20 0 GFADRO O=C(NCCC1=CC[NH2+]CC1)N[C@H](c1cncc(Br)c1)C1CC1 ZINC000518735542 564560502 /nfs/dbraw/zinc/56/05/02/564560502.db2.gz JBLXHQFOJKHAKL-INIZCTEOSA-N 1 0 379.302 2.904 20 0 GFADRO COCCCS(=O)(=O)NCC[NH+]1CCC(C)(c2cccc(Cl)c2)CC1 ZINC000483238701 564561152 /nfs/dbraw/zinc/56/11/52/564561152.db2.gz QOTXPSFMMYFPFC-UHFFFAOYSA-N 1 0 388.961 2.649 20 0 GFADRO CC(C)[NH+]1CCN(C(=O)Nc2ccn(-c3ccc(Br)cc3)n2)CC1 ZINC000455627947 564561454 /nfs/dbraw/zinc/56/14/54/564561454.db2.gz PNMNIAYSIMWHTE-UHFFFAOYSA-N 1 0 392.301 3.193 20 0 GFADRO O=C1NCCN(CCC[NH+]2CCCCC2)[C@@H]1c1ccc(Br)cc1 ZINC000483286627 564562795 /nfs/dbraw/zinc/56/27/95/564562795.db2.gz SCTATJNITDWRSH-QGZVFWFLSA-N 1 0 380.330 2.798 20 0 GFADRO CC(C)[N@H+](C)C[C@H](C)NC(=O)NCCC(=O)Nc1ccc(Br)cc1 ZINC000518851440 564564077 /nfs/dbraw/zinc/56/40/77/564564077.db2.gz JDULLAPPPXCBSU-ZDUSSCGKSA-N 1 0 399.333 2.806 20 0 GFADRO CCn1cc(Br)cc1C(=O)N1C[C@@H]([NH+]2CCCC2)[C@@H](SC)C1 ZINC000483406781 564567578 /nfs/dbraw/zinc/56/75/78/564567578.db2.gz MHTHDMOPSMTAFP-CABCVRRESA-N 1 0 386.359 2.922 20 0 GFADRO CC[NH+](CC)CCCNC(=O)C(=O)Nc1c(F)ccc(C)c1Br ZINC000483507205 564569587 /nfs/dbraw/zinc/56/95/87/564569587.db2.gz IZNWLYGCVVZQRL-UHFFFAOYSA-N 1 0 388.281 2.683 20 0 GFADRO Cc1ccc(F)c(Br)c1NC(=O)N1CCC[N@@H+]([C@H](C)CO)CC1 ZINC000455755013 564569691 /nfs/dbraw/zinc/56/96/91/564569691.db2.gz RGWRFFZHXRYWLP-GFCCVEGCSA-N 1 0 388.281 2.817 20 0 GFADRO C[N@H+](CCNS(=O)(=O)c1cc(Br)ccc1F)C1CCCC1 ZINC000519148590 564570550 /nfs/dbraw/zinc/57/05/50/564570550.db2.gz OSEKNZOARSHLND-UHFFFAOYSA-N 1 0 379.295 2.741 20 0 GFADRO O[C@@H](C[NH2+]CCOc1cccc(Br)c1)COc1ccccc1F ZINC000571874975 564570899 /nfs/dbraw/zinc/57/08/99/564570899.db2.gz GYZWTIDAIZCBNB-AWEZNQCLSA-N 1 0 384.245 2.997 20 0 GFADRO Cc1nc(-c2ccc(CCNC(=O)N3C[C@@H]4CC[NH2+]C[C@@H]4C3)s2)cs1 ZINC000571893602 564571850 /nfs/dbraw/zinc/57/18/50/564571850.db2.gz RYGDAIAHZGYQJR-UONOGXRCSA-N 1 0 376.551 2.973 20 0 GFADRO NC(=O)[C@H]([NH2+]CCc1ccn(-c2ccccc2)n1)c1ccc(Br)cc1 ZINC000519228184 564572083 /nfs/dbraw/zinc/57/20/83/564572083.db2.gz JCNWSBOLQBMMDU-GOSISDBHSA-N 1 0 399.292 2.994 20 0 GFADRO O=C(N[C@H]1C[NH2+]CCC1(F)F)c1cc2c(cc(Br)cc2F)[nH]1 ZINC000571936354 564573565 /nfs/dbraw/zinc/57/35/65/564573565.db2.gz XZTGPEVDXQHXIQ-LBPRGKRZSA-N 1 0 376.176 2.797 20 0 GFADRO CO[C@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1cccc(I)c1 ZINC000483721335 564573833 /nfs/dbraw/zinc/57/38/33/564573833.db2.gz HGDFZCVSFQLGKP-KGLIPLIRSA-N 1 0 388.249 2.777 20 0 GFADRO C[C@@H]([NH3+])C[C@H](C)NC(=O)NCc1c(Br)cncc1Br ZINC000519395713 564576810 /nfs/dbraw/zinc/57/68/10/564576810.db2.gz ACQPMKAQHWOEAB-SFYZADRCSA-N 1 0 394.111 2.532 20 0 GFADRO Cc1nc2cc(Cl)c(NC(=O)C(=O)N3CC[C@H](C[NH+](C)C)C3)cc2s1 ZINC000483900245 564577010 /nfs/dbraw/zinc/57/70/10/564577010.db2.gz VITMLGGROHDHTO-LLVKDONJSA-N 1 0 380.901 2.607 20 0 GFADRO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)CCc1nc2cc(Cl)ccc2s1 ZINC000572011404 564577020 /nfs/dbraw/zinc/57/70/20/564577020.db2.gz BDWYSYARUZRWNT-CHWSQXEVSA-N 1 0 381.929 2.796 20 0 GFADRO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1c(F)ccc(C)c1Br ZINC000483931201 564578217 /nfs/dbraw/zinc/57/82/17/564578217.db2.gz KREHVCAPEMTGER-LLVKDONJSA-N 1 0 388.281 2.682 20 0 GFADRO C[C@@H](NC(=O)NC[C@H](c1cccs1)[NH+](C)C)c1ncc(Br)cn1 ZINC000572096573 564580771 /nfs/dbraw/zinc/58/07/71/564580771.db2.gz HRQZNWJQEXHBCM-ZYHUDNBSSA-N 1 0 398.330 2.964 20 0 GFADRO C[C@@H](NC(=O)NCc1nn(C)cc1Br)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000519584769 564582267 /nfs/dbraw/zinc/58/22/67/564582267.db2.gz LVTIMZKHKGVXDP-OLZOCXBDSA-N 1 0 398.349 2.635 20 0 GFADRO CCCC[N@@H+]1CCCC[C@H]1CNS(=O)(=O)c1cncc(Br)c1 ZINC000548978059 564582704 /nfs/dbraw/zinc/58/27/04/564582704.db2.gz DSEKWTYINCRVFH-AWEZNQCLSA-N 1 0 390.347 2.777 20 0 GFADRO O=C(NCCC[NH2+]Cc1cccnc1)[C@H]1COc2ccc(Br)cc21 ZINC000519646249 564585496 /nfs/dbraw/zinc/58/54/96/564585496.db2.gz OYWSOEATPRNDLW-INIZCTEOSA-N 1 0 390.281 2.616 20 0 GFADRO Brc1cncc(Br)c1C[NH2+][C@H]1CCc2n[nH]cc2C1 ZINC000519672507 564586279 /nfs/dbraw/zinc/58/62/79/564586279.db2.gz LAIOMAIKPBJLKM-VIFPVBQESA-N 1 0 386.091 2.977 20 0 GFADRO COCC[C@@]1([NH2+]CC(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)CCOC1 ZINC000572231063 564586393 /nfs/dbraw/zinc/58/63/93/564586393.db2.gz IPBMFZUNNQQGPP-YVEFUNNKSA-N 1 0 375.296 2.956 20 0 GFADRO CCCSc1nsc(NC(=O)N2CCC[C@@H]([NH+]3CCOCC3)CC2)n1 ZINC000572254587 564586797 /nfs/dbraw/zinc/58/67/97/564586797.db2.gz SVQKBYNBTDCRRL-CYBMUJFWSA-N 1 0 385.559 2.759 20 0 GFADRO CC[C@H]1C[N@H+](C)CCN1C(=O)Nc1ccc(F)cc1I ZINC000519686135 564587168 /nfs/dbraw/zinc/58/71/68/564587168.db2.gz ZVAMLSPMEOQSKK-NSHDSACASA-N 1 0 391.228 2.988 20 0 GFADRO CC[NH+]1CCC(CNS(=O)(=O)CCc2ccccc2Br)CC1 ZINC000519738097 564588692 /nfs/dbraw/zinc/58/86/92/564588692.db2.gz VSGJXEXTFADJBC-UHFFFAOYSA-N 1 0 389.359 2.643 20 0 GFADRO C[C@@H]([NH3+])C[C@H](C)NC(=O)c1nnn(-c2ccc(Br)cc2)c1C1CC1 ZINC000519816852 564591915 /nfs/dbraw/zinc/59/19/15/564591915.db2.gz JBNRNYRKUGVTHT-MNOVXSKESA-N 1 0 392.301 2.763 20 0 GFADRO CC[N@H+](C)[C@@H](C(=O)NCCCn1cc(Br)cn1)c1ccccc1 ZINC000519817321 564592423 /nfs/dbraw/zinc/59/24/23/564592423.db2.gz PHRQFAJKMVUKCB-MRXNPFEDSA-N 1 0 379.302 2.845 20 0 GFADRO CS[C@H]1CN(Cc2csc(CC(=O)OC(C)C)n2)C[C@H]1[NH+]1CCCC1 ZINC000484632238 564592771 /nfs/dbraw/zinc/59/27/71/564592771.db2.gz LROSIEHSHUJQLS-CVEARBPZSA-N 1 0 383.583 2.649 20 0 GFADRO [NH3+][C@H]1CCC[C@H](CNS(=O)(=O)c2cc(Br)c(F)cc2F)C1 ZINC000572403335 564593464 /nfs/dbraw/zinc/59/34/64/564593464.db2.gz DUVHHEIAAQJDMT-IUCAKERBSA-N 1 0 383.258 2.523 20 0 GFADRO CS[C@H]1CN(Cc2ccc(S(=O)(=O)C(C)C)cc2)C[C@@H]1[NH+]1CCCC1 ZINC000484644790 564593601 /nfs/dbraw/zinc/59/36/01/564593601.db2.gz MJRCKRDGXYYQJY-OALUTQOASA-N 1 0 382.595 2.880 20 0 GFADRO CS[C@H]1CN(CCCS(=O)(=O)c2ccc(F)cc2)C[C@H]1[NH+]1CCCC1 ZINC000484641654 564593646 /nfs/dbraw/zinc/59/36/46/564593646.db2.gz QTUIWPUJTFTBFP-MSOLQXFVSA-N 1 0 386.558 2.501 20 0 GFADRO CS[C@H]1CN(CC(=O)N(C)Cc2ccc(Cl)s2)C[C@H]1[NH+]1CCCC1 ZINC000484637058 564593814 /nfs/dbraw/zinc/59/38/14/564593814.db2.gz HYGQMCNBCGXUKA-CABCVRRESA-N 1 0 388.002 2.872 20 0 GFADRO CSC1(CNS(=O)(=O)CCC2Cc3ccccc3C2)CC[NH+](C)CC1 ZINC000519860438 564594183 /nfs/dbraw/zinc/59/41/83/564594183.db2.gz VDMDSHIGSDTZGQ-UHFFFAOYSA-N 1 0 382.595 2.538 20 0 GFADRO CC[NH+](CC)C[C@H](C)NC(=O)[C@H]1CCN(c2ccccc2Br)C1=O ZINC000519995193 564595847 /nfs/dbraw/zinc/59/58/47/564595847.db2.gz YLXXYAKTCIUAOF-UONOGXRCSA-N 1 0 396.329 2.649 20 0 GFADRO C[C@H]1Cc2ccc(Br)cc2CN1C(=O)c1ccn(CC[NH+](C)C)n1 ZINC000572495386 564596716 /nfs/dbraw/zinc/59/67/16/564596716.db2.gz OVTIUEFVDSCSAQ-ZDUSSCGKSA-N 1 0 391.313 2.794 20 0 GFADRO CN1CCO[C@H]([C@@H](NC(=O)N[C@@H]2CSC2(C)C)c2ccc(Cl)cc2)C1 ZINC000549545441 564597615 /nfs/dbraw/zinc/59/76/15/564597615.db2.gz TZJDBKLMVKARGH-XHSDSOJGSA-N 1 0 383.945 2.905 20 0 GFADRO CC[NH+]1CCN(CCC(=O)N[C@@H]2CCc3c2ccc(F)c3Br)CC1 ZINC000456279752 564598080 /nfs/dbraw/zinc/59/80/80/564598080.db2.gz RHQASCOOCNHWFJ-MRXNPFEDSA-N 1 0 398.320 2.719 20 0 GFADRO C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1CCc2c1ccc(F)c2Br ZINC000456280920 564599028 /nfs/dbraw/zinc/59/90/28/564599028.db2.gz UOPUBGXFNYXNNI-XHDPSFHLSA-N 1 0 385.277 2.660 20 0 GFADRO C[NH+]1CCC(CC(=O)Nc2cc(N3CCOCC3)ccc2Br)CC1 ZINC000456302171 564599790 /nfs/dbraw/zinc/59/97/90/564599790.db2.gz IQNQXQIQEUIQGT-UHFFFAOYSA-N 1 0 396.329 2.956 20 0 GFADRO Brc1ccn2cc(C[NH2+][C@@H]3CCCC[C@@H]3N3CCOCC3)nc2c1 ZINC000520343955 564601907 /nfs/dbraw/zinc/60/19/07/564601907.db2.gz OLDKPNGRVCIXEP-SJORKVTESA-N 1 0 393.329 2.830 20 0 GFADRO O=C(NCCOc1cccc(Br)c1)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000572617506 564602308 /nfs/dbraw/zinc/60/23/08/564602308.db2.gz VJZHPINRYFEOSX-HUUCEWRRSA-N 1 0 396.329 2.859 20 0 GFADRO COCCCC(=O)Nc1cc(Br)ccc1N1CC[N@H+](C)C[C@H]1C ZINC000456367896 564603692 /nfs/dbraw/zinc/60/36/92/564603692.db2.gz KHCHNHVZOKUFEP-CYBMUJFWSA-N 1 0 384.318 2.955 20 0 GFADRO CN(C)C(=O)CCC[NH+]1CCN(Cc2ccc(Br)c(F)c2)CC1 ZINC000520423872 564604578 /nfs/dbraw/zinc/60/45/78/564604578.db2.gz OHOBMZWVBCCSKL-UHFFFAOYSA-N 1 0 386.309 2.574 20 0 GFADRO CCc1sc(C(=O)NCCCC[NH+]2CCOCC2)cc1Br ZINC000549797560 564605958 /nfs/dbraw/zinc/60/59/58/564605958.db2.gz YUEAZZNSUOHMBR-UHFFFAOYSA-N 1 0 375.332 2.915 20 0 GFADRO Cc1[nH]c(=O)c(C(=O)N2CCC[N@H+](CC3CCC3)CC2)cc1Br ZINC000549845895 564606816 /nfs/dbraw/zinc/60/68/16/564606816.db2.gz AFVBALLIZRLJQD-UHFFFAOYSA-N 1 0 382.302 2.806 20 0 GFADRO C[C@H]([NH3+])C[C@H](C)NS(=O)(=O)c1cc(Br)cc(C(F)(F)F)c1 ZINC000572721012 564607362 /nfs/dbraw/zinc/60/73/62/564607362.db2.gz LZRVFBPWGWERJT-YUMQZZPRSA-N 1 0 389.237 2.872 20 0 GFADRO O=C(CCC[S@@](=O)c1ccc(Br)cc1)N1CCC2(CC[NH2+]2)CC1 ZINC000572749812 564609129 /nfs/dbraw/zinc/60/91/29/564609129.db2.gz ADBPHQNUJMWQKN-HSZRJFAPSA-N 1 0 399.354 2.691 20 0 GFADRO COc1cc2[nH+]ccc(NC[C@H]3CCCS(=O)(=O)C3)c2cc1Br ZINC000572753875 564609266 /nfs/dbraw/zinc/60/92/66/564609266.db2.gz ZOKUIJJWFGHGMW-LLVKDONJSA-N 1 0 399.310 2.665 20 0 GFADRO CN(C)c1cc(NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)ncc1Br ZINC000572815546 564610817 /nfs/dbraw/zinc/61/08/17/564610817.db2.gz YIFNVPOCFHUWAU-NEPJUHHUSA-N 1 0 382.306 2.611 20 0 GFADRO [NH3+]CC[C@H]1CCCCN1C(=O)c1n[nH]c2ccc(I)cc21 ZINC000520815758 564613991 /nfs/dbraw/zinc/61/39/91/564613991.db2.gz YOVMVJSEUYBSGL-LLVKDONJSA-N 1 0 398.248 2.511 20 0 GFADRO COCCN(CC[NH+](C)C)C(=O)c1cc(Cl)c(Br)cc1OC ZINC000520816653 564614229 /nfs/dbraw/zinc/61/42/29/564614229.db2.gz DVLZTIWMUWRLDB-UHFFFAOYSA-N 1 0 393.709 2.761 20 0 GFADRO O=S(=O)(NCCC[NH+]1CCCC1)c1cc(Cl)ccc1Br ZINC000485424088 564614508 /nfs/dbraw/zinc/61/45/08/564614508.db2.gz QMGDMEJYQJMEAR-UHFFFAOYSA-N 1 0 381.723 2.867 20 0 GFADRO OC[C@@]1([C@@H]([NH2+]Cc2cc3c(cc2Br)OCCO3)C2CC2)CCCO1 ZINC000550140685 564615361 /nfs/dbraw/zinc/61/53/61/564615361.db2.gz JQWLMYFILTZAQP-ZWKOTPCHSA-N 1 0 398.297 2.630 20 0 GFADRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)CNC(=O)c1ccc(Cl)cc1Cl ZINC000572909384 564615674 /nfs/dbraw/zinc/61/56/74/564615674.db2.gz PHPNFPNMENZYDH-LRDDRELGSA-N 1 0 384.307 2.808 20 0 GFADRO Cc1ccc(Cl)c(OC[C@H](O)C[NH2+]Cc2cn(C)nc2C(F)(F)F)c1 ZINC000572993255 564618000 /nfs/dbraw/zinc/61/80/00/564618000.db2.gz VIPNTFZNTAJUJU-GFCCVEGCSA-N 1 0 377.794 2.930 20 0 GFADRO COCc1ncsc1C(=O)Nc1cc(Cl)ccc1N1CC[NH+](C)CC1 ZINC000550257527 564618107 /nfs/dbraw/zinc/61/81/07/564618107.db2.gz RMMXNCSETUQAGP-UHFFFAOYSA-N 1 0 380.901 2.947 20 0 GFADRO C[C@]1(n2cc(C[NH2+]Cc3cc4ccccc4s3)cn2)CCS(=O)(=O)C1 ZINC000550226868 564618446 /nfs/dbraw/zinc/61/84/46/564618446.db2.gz XEBXCBLRBJULMK-SFHVURJKSA-N 1 0 375.519 2.921 20 0 GFADRO COc1cc(C(=O)N(C)[C@@H]2CC[N@H+](C)C[C@H]2C)cc(Br)c1OC ZINC000550280024 564619346 /nfs/dbraw/zinc/61/93/46/564619346.db2.gz YCUCOZAFTZBZCV-BXUZGUMPSA-N 1 0 385.302 2.879 20 0 GFADRO C[NH+]1CCC(CC(=O)Nc2cc(Br)ccc2N2CCOCC2)CC1 ZINC000485543804 564619610 /nfs/dbraw/zinc/61/96/10/564619610.db2.gz JUFCVJFZOOPPCK-UHFFFAOYSA-N 1 0 396.329 2.956 20 0 GFADRO CCn1nnc(C)c1C[NH2+]CCc1cn2cc(Br)cc(C)c2n1 ZINC000573058884 564620576 /nfs/dbraw/zinc/62/05/76/564620576.db2.gz OXISXBYJLPDVCH-UHFFFAOYSA-N 1 0 377.290 2.657 20 0 GFADRO CCOCC[C@H](O)C[NH2+]Cc1cc(Cl)cc(I)c1 ZINC000573317428 564632792 /nfs/dbraw/zinc/63/27/92/564632792.db2.gz HWKBZYXYYRHZKO-ZDUSSCGKSA-N 1 0 383.657 2.822 20 0 GFADRO C[C@@H](NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(Br)cc1 ZINC000550348887 564621847 /nfs/dbraw/zinc/62/18/47/564621847.db2.gz LDBJXJZOMCFJNH-IOASZLSFSA-N 1 0 396.329 2.567 20 0 GFADRO CC(C)C[C@H](C[NH3+])NC(=O)[C@@H]1CCCN1C(=O)c1ccc(Br)cc1 ZINC000573083365 564622257 /nfs/dbraw/zinc/62/22/57/564622257.db2.gz JUXTUEDBPRQACX-CVEARBPZSA-N 1 0 396.329 2.543 20 0 GFADRO C[C@@H](CNS(=O)(=O)Cc1cccc(Br)c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000550431467 564624156 /nfs/dbraw/zinc/62/41/56/564624156.db2.gz JAJGZEWBTNATDE-KGLIPLIRSA-N 1 0 389.359 2.989 20 0 GFADRO O=C1CCN(C[C@H](O)COc2cc(F)cc(Br)c2)C2(CCC2)C1 ZINC000521366218 564625858 /nfs/dbraw/zinc/62/58/58/564625858.db2.gz HNVDDEQMTXOITD-HNNXBMFYSA-N 1 0 386.261 2.916 20 0 GFADRO COc1ccc(Br)cc1C(=O)N[C@H]1CCCC[C@H]1N1CCOCC1 ZINC000573178534 564626426 /nfs/dbraw/zinc/62/64/26/564626426.db2.gz NAYDLZHFQAJNMN-JKSUJKDBSA-N 1 0 397.313 2.831 20 0 GFADRO C[NH+]1CCN(c2cc(C(=O)NCc3csc(Br)c3)ccn2)CC1 ZINC000485837883 564627077 /nfs/dbraw/zinc/62/70/77/564627077.db2.gz FPLHAEYALYISLS-UHFFFAOYSA-N 1 0 395.326 2.587 20 0 GFADRO COC(=O)c1ccc(Cl)cc1S(=O)(=O)N[C@H](C)C[NH+]1CCC(C)CC1 ZINC000521462384 564627619 /nfs/dbraw/zinc/62/76/19/564627619.db2.gz HDVBYFSOVIQQMN-CYBMUJFWSA-N 1 0 388.917 2.525 20 0 GFADRO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NC1(c2ccc(Br)cc2)CCOCC1 ZINC000485889118 564630113 /nfs/dbraw/zinc/63/01/13/564630113.db2.gz OAOZLMFEDAQFMV-CJNGLKHVSA-N 1 0 381.314 2.769 20 0 GFADRO C[C@H]1C[N@H+](C)C[C@H]1C(=O)NC1(c2ccc(Br)cc2)CCOCC1 ZINC000485889120 564630314 /nfs/dbraw/zinc/63/03/14/564630314.db2.gz OAOZLMFEDAQFMV-XJKSGUPXSA-N 1 0 381.314 2.769 20 0 GFADRO O=C(NCc1cc(Cl)cc(I)c1)C1CC[NH2+]CC1 ZINC000521621995 564632359 /nfs/dbraw/zinc/63/23/59/564632359.db2.gz JCVREXFNLDCWMT-UHFFFAOYSA-N 1 0 378.641 2.560 20 0 GFADRO CC(C)c1n[nH]c(C(=O)NCC2([NH+]3CCCC3)CCOCC2)c1Br ZINC000521649237 564633447 /nfs/dbraw/zinc/63/34/47/564633447.db2.gz GRVAJVDELDXANF-UHFFFAOYSA-N 1 0 399.333 2.670 20 0 GFADRO O=C(N[C@H]1CC[N@@H+](C2CC2)C1)[C@@H]1CCN(c2cc(Cl)ccc2Cl)C1=O ZINC000521661238 564633491 /nfs/dbraw/zinc/63/34/91/564633491.db2.gz MHWKJAAUDCJNAW-JSGCOSHPSA-N 1 0 382.291 2.699 20 0 GFADRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)CNC(=O)c1cccc(Br)c1 ZINC000521682685 564634182 /nfs/dbraw/zinc/63/41/82/564634182.db2.gz BSXASHIMAHPMQD-ZIAGYGMSSA-N 1 0 396.329 2.558 20 0 GFADRO C[C@H](Cc1ccc(Cl)cc1Cl)C(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000521676999 564634455 /nfs/dbraw/zinc/63/44/55/564634455.db2.gz FSWMGZPHFPECCA-MLGOLLRUSA-N 1 0 386.323 2.628 20 0 GFADRO C[C@H]1C[C@@H](NC(=O)c2ccn(-c3ccc(Br)cc3)n2)CC[N@@H+]1C ZINC000551094511 564637338 /nfs/dbraw/zinc/63/73/38/564637338.db2.gz YTWWHHKBLAKCJH-JSGCOSHPSA-N 1 0 377.286 2.847 20 0 GFADRO CCOCC[C@H](O)C[NH2+][C@H](C)CCc1ccc(I)cc1 ZINC000521864337 564637381 /nfs/dbraw/zinc/63/73/81/564637381.db2.gz XWKDKVFSUMIEFP-CJNGLKHVSA-N 1 0 391.293 2.989 20 0 GFADRO COCCO[C@@H]1COCC[C@H]1[NH2+][C@@H]1CCc2c1c(Br)ccc2F ZINC000486068583 564637728 /nfs/dbraw/zinc/63/77/28/564637728.db2.gz ZACHTHPZQDJKCI-BZUAXINKSA-N 1 0 388.277 2.986 20 0 GFADRO C[C@@H]1C[N@@H+](CCCCNC(=O)c2ncsc2Br)C[C@H](C)O1 ZINC000521896055 564638247 /nfs/dbraw/zinc/63/82/47/564638247.db2.gz KPYNIUVAIZJAHZ-PHIMTYICSA-N 1 0 376.320 2.525 20 0 GFADRO O=C1[C@H]([NH2+]Cc2cccc(I)c2)CCN1CC(F)(F)F ZINC000551183865 564641239 /nfs/dbraw/zinc/64/12/39/564641239.db2.gz BWTHVMJQWWMEQU-LLVKDONJSA-N 1 0 398.166 2.544 20 0 GFADRO CC[N@@H+]1CCCC[C@H]1CNS(=O)(=O)N(C)Cc1c(F)cccc1Cl ZINC000522053541 564643258 /nfs/dbraw/zinc/64/32/58/564643258.db2.gz AGZFAPIBWXUPCD-ZDUSSCGKSA-N 1 0 377.913 2.620 20 0 GFADRO C[C@@H](NC(=O)c1ccc(Br)cc1)C(=O)NCC[N@@H+]1CCCC1(C)C ZINC000457068567 564645004 /nfs/dbraw/zinc/64/50/04/564645004.db2.gz DQAMKSWJJACRNI-CYBMUJFWSA-N 1 0 396.329 2.558 20 0 GFADRO Cn1cc(N2CCC[C@@H]([NH2+]Cc3cccc(I)c3)C2)cn1 ZINC000573584582 564645206 /nfs/dbraw/zinc/64/52/06/564645206.db2.gz JXAKMECJGKVSNT-OAHLLOKOSA-N 1 0 396.276 2.783 20 0 GFADRO Cn1cc(Br)c(C(=O)NC[C@H](c2ccc(Cl)cc2)[NH+](C)C)n1 ZINC000551344480 564647424 /nfs/dbraw/zinc/64/74/24/564647424.db2.gz VDKXBMKHWWZFNW-CYBMUJFWSA-N 1 0 385.693 2.869 20 0 GFADRO Cc1ccc(CC[NH2+][C@@H](C)c2ccc(Br)c(S(N)(=O)=O)c2)cn1 ZINC000573661751 564648806 /nfs/dbraw/zinc/64/88/06/564648806.db2.gz HMYKAOQXEPGASF-LBPRGKRZSA-N 1 0 398.326 2.693 20 0 GFADRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)Cc2cc3c(cc2Br)OCCO3)C1 ZINC000457137145 564649674 /nfs/dbraw/zinc/64/96/74/564649674.db2.gz XATDTYIZLWCDKA-AWEZNQCLSA-N 1 0 397.313 2.704 20 0 GFADRO CN1C(=O)CC[C@@H]([NH2+]Cc2cnc(-c3ccc(Br)cc3)s2)C1=O ZINC000573711799 564650376 /nfs/dbraw/zinc/65/03/76/564650376.db2.gz JNWMRADYOXWQOC-CYBMUJFWSA-N 1 0 394.294 2.810 20 0 GFADRO CC[NH+](CC)C[C@@H](C)NC(=O)NCCC(=O)Nc1ccc(Br)cc1 ZINC000522404504 564650900 /nfs/dbraw/zinc/65/09/00/564650900.db2.gz SMIQZMQGIQYTPK-CYBMUJFWSA-N 1 0 399.333 2.807 20 0 GFADRO Cc1cc(Br)cc(NC(=O)C(=O)NCC2([NH+](C)C)CCCC2)c1 ZINC000486394946 564650989 /nfs/dbraw/zinc/65/09/89/564650989.db2.gz AWFZRHRUVPDPNR-UHFFFAOYSA-N 1 0 382.302 2.687 20 0 GFADRO C[C@H](Oc1ccc(I)cc1)C(=O)NC(C)(C)C[NH+](C)C ZINC000457231423 564652100 /nfs/dbraw/zinc/65/21/00/564652100.db2.gz GOSNWNDJSTWFFA-NSHDSACASA-N 1 0 390.265 2.515 20 0 GFADRO O=C(N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)N[C@H]1CCOc2c(Br)cccc21 ZINC000573786336 564654386 /nfs/dbraw/zinc/65/43/86/564654386.db2.gz YGZHBHOEWRKZRL-IATRGZMQSA-N 1 0 394.313 2.960 20 0 GFADRO CC(C)[C@@H]1CN(C(=O)NCc2cc(Br)cc3c2OCC3)CC[N@@H+]1C ZINC000486511327 564654821 /nfs/dbraw/zinc/65/48/21/564654821.db2.gz VCGPLFMEVOMXJS-INIZCTEOSA-N 1 0 396.329 2.866 20 0 GFADRO C[NH+](C)C1(CNC(=O)NCc2nc3c(cccc3Br)[nH]2)CCCC1 ZINC000457430998 564660784 /nfs/dbraw/zinc/66/07/84/564660784.db2.gz BYFICNFJVFIITN-UHFFFAOYSA-N 1 0 394.317 2.999 20 0 GFADRO COc1ccc(Br)cc1C(=O)N1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000573953359 564661917 /nfs/dbraw/zinc/66/19/17/564661917.db2.gz ZMWILCKKEQSFMJ-YOEHRIQHSA-N 1 0 397.313 2.816 20 0 GFADRO C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+][C@@H](C)C1(S(C)(=O)=O)CC1 ZINC000573988021 564663485 /nfs/dbraw/zinc/66/34/85/564663485.db2.gz UJPKNCPWLDSRQT-KBPBESRZSA-N 1 0 386.945 2.632 20 0 GFADRO Cc1cc(NC(=O)CNC(=O)N[C@H](C)C[N@@H+](C)C(C)C)ccc1Br ZINC000574009248 564664521 /nfs/dbraw/zinc/66/45/21/564664521.db2.gz HJWIKKHLUULVHF-CYBMUJFWSA-N 1 0 399.333 2.724 20 0 GFADRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)[C@H](C)NC(=O)c2cccc(Cl)c2Cl)C1 ZINC000523332785 564664840 /nfs/dbraw/zinc/66/48/40/564664840.db2.gz IICXLRJMIFYKKG-STQMWFEESA-N 1 0 386.323 2.958 20 0 GFADRO C[NH+](C)[C@@H]1CCCN(C(=O)c2cn(Cc3ccc(Cl)cc3Cl)nn2)C1 ZINC000457548073 564665431 /nfs/dbraw/zinc/66/54/31/564665431.db2.gz YYOLKMOOSALTRV-CQSZACIVSA-N 1 0 382.295 2.799 20 0 GFADRO CSC1(CNC(=O)c2ccc3c(c2)NC(=O)[C@H](C)S3)CC[NH+](C)CC1 ZINC000551871166 564666169 /nfs/dbraw/zinc/66/61/69/564666169.db2.gz GZBAOVDUWRHYLO-LBPRGKRZSA-N 1 0 379.551 2.677 20 0 GFADRO C[C@H]1CN(C(=O)c2cn(Cc3ccc(Cl)cc3Cl)nn2)C[C@@H]1[NH+](C)C ZINC000457610710 564667280 /nfs/dbraw/zinc/66/72/80/564667280.db2.gz KEFKIGIDRKRAEY-ZBEGNZNMSA-N 1 0 382.295 2.655 20 0 GFADRO CN(C(=O)NCCOCC(F)(F)F)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457616409 564667494 /nfs/dbraw/zinc/66/74/94/564667494.db2.gz NTVAGHBAUGRXEL-UHFFFAOYSA-N 1 0 379.345 2.624 20 0 GFADRO O=S(=O)(c1cccc(OC(F)(F)F)c1)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000574081534 564667830 /nfs/dbraw/zinc/66/78/30/564667830.db2.gz CUUHFYVXFOZHKU-OLZOCXBDSA-N 1 0 378.416 2.595 20 0 GFADRO O=C(N[C@@H](c1cncc(Br)c1)C1CC1)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000574142210 564669992 /nfs/dbraw/zinc/66/99/92/564669992.db2.gz PBPFDNAMCPIKHX-BQGCOEIASA-N 1 0 393.329 2.983 20 0 GFADRO Cc1nn2c(C[NH2+]CCn3cc(Br)cn3)c(C(C)C)nc2s1 ZINC000552023488 564673125 /nfs/dbraw/zinc/67/31/25/564673125.db2.gz FFFXXWJWLFMPNK-UHFFFAOYSA-N 1 0 383.319 2.971 20 0 GFADRO CCOC(=O)C[C@H](NC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C)c1cccc(Br)c1 ZINC000487028954 564673661 /nfs/dbraw/zinc/67/36/61/564673661.db2.gz ZQMKAVBESNNERS-MAZHCROVSA-N 1 0 397.313 2.757 20 0 GFADRO CCCC[N@H+](C)C[C@@H](C)NC(=O)NCC(=O)Nc1ccc(Br)cc1 ZINC000574436911 564673645 /nfs/dbraw/zinc/67/36/45/564673645.db2.gz XVAILLJPQYHALA-CYBMUJFWSA-N 1 0 399.333 2.807 20 0 GFADRO Cc1ccc(Br)c(S(=O)(=O)NCC[NH2+][C@@H]2CCC[C@H]3C[C@H]32)c1 ZINC000552089238 564676477 /nfs/dbraw/zinc/67/64/77/564676477.db2.gz DYPRQTVZMJSHER-GZBFAFLISA-N 1 0 387.343 2.814 20 0 GFADRO C[NH+](C)CCc1ccc(NC(=O)CS(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000524141170 564677510 /nfs/dbraw/zinc/67/75/10/564677510.db2.gz GMGJUFCHZMSJPX-UHFFFAOYSA-N 1 0 380.897 2.857 20 0 GFADRO Cc1ccc(S(=O)(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)cc1Br ZINC000487136079 564677644 /nfs/dbraw/zinc/67/76/44/564677644.db2.gz JQZHRKSUGCHHPF-QWHCGFSZSA-N 1 0 375.332 2.909 20 0 GFADRO CC[C@@H]1CN(CC[NH2+]Cc2cnn(-c3ccc(Br)cc3)c2)CCO1 ZINC000487166867 564678301 /nfs/dbraw/zinc/67/83/01/564678301.db2.gz XXVJQHWQBPINHO-GOSISDBHSA-N 1 0 393.329 2.835 20 0 GFADRO C[C@H](CNC(=O)CCc1nc2cc(Cl)ccc2s1)N1CC[NH+](C)CC1 ZINC000524421149 564682104 /nfs/dbraw/zinc/68/21/04/564682104.db2.gz QETUHXDFGHSEFW-CYBMUJFWSA-N 1 0 380.945 2.634 20 0 GFADRO O=C(NCC[NH+]1CCC1)C1(Cc2ccc(F)cc2Br)CCOCC1 ZINC000487321761 564682283 /nfs/dbraw/zinc/68/22/83/564682283.db2.gz NXCWRLKGBYAVMR-UHFFFAOYSA-N 1 0 399.304 2.749 20 0 GFADRO C[C@H]1C[NH2+]CC[C@H]1NS(=O)(=O)c1ccc2ccccc2c1Br ZINC000574637604 564682441 /nfs/dbraw/zinc/68/24/41/564682441.db2.gz FONVXIXEANQSFS-SMDDNHRTSA-N 1 0 383.311 2.879 20 0 GFADRO Cn1ncc(Br)c1C[NH2+]C1CCN(C(=O)NC2CCCCC2)CC1 ZINC000487307705 564682768 /nfs/dbraw/zinc/68/27/68/564682768.db2.gz ZFYZSNDXEWVESV-UHFFFAOYSA-N 1 0 398.349 2.779 20 0 GFADRO COCC[N@@H+]1CC[C@H](NC(=O)Cc2csc(-c3ccc(Cl)s3)n2)C1 ZINC000524608738 564683294 /nfs/dbraw/zinc/68/32/94/564683294.db2.gz OKVVACQNMDIMMD-NSHDSACASA-N 1 0 385.942 2.904 20 0 GFADRO CC[NH+](CC)CCN(CCOC)S(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000524593433 564683519 /nfs/dbraw/zinc/68/35/19/564683519.db2.gz YXMUANMKZNQJSD-UHFFFAOYSA-N 1 0 382.448 2.684 20 0 GFADRO CSc1cc(C(=O)N[C@@H](C)C(=O)NCC[NH+](C)C)c(Cl)cc1Cl ZINC000552311152 564685341 /nfs/dbraw/zinc/68/53/41/564685341.db2.gz XTZWWGMASZXELG-VIFPVBQESA-N 1 0 378.325 2.511 20 0 GFADRO O=S(=O)(C1CC1)N1CCC[C@@H]([NH2+][C@H]2CCc3ccc(Br)cc32)C1 ZINC000552321398 564686036 /nfs/dbraw/zinc/68/60/36/564686036.db2.gz PQPORYJJDLVWAY-PBHICJAKSA-N 1 0 399.354 2.983 20 0 GFADRO Nc1nccc([C@H]2CCCN(Cc3cn4ccc(Br)cc4n3)C2)n1 ZINC000574732274 564686252 /nfs/dbraw/zinc/68/62/52/564686252.db2.gz NVWPNQHNIGLBMJ-LBPRGKRZSA-N 1 0 387.285 2.849 20 0 GFADRO C[C@@H](CNC(=O)N[C@H]1CC[N@@H+](C2CC2)C1)Oc1ccc(Br)cc1 ZINC000524787073 564687516 /nfs/dbraw/zinc/68/75/16/564687516.db2.gz SNBUCNBOHZYLHI-JSGCOSHPSA-N 1 0 382.302 2.752 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2ccccc2Br)C[C@@H]1C ZINC000524872620 564689984 /nfs/dbraw/zinc/68/99/84/564689984.db2.gz OLOXKKISJBYDJZ-QWHCGFSZSA-N 1 0 375.332 2.942 20 0 GFADRO CN(CC[NH+]1CCCC1)C(=O)[C@]12CCC(=O)N1c1cc(Cl)ccc1S2 ZINC000487592438 564692244 /nfs/dbraw/zinc/69/22/44/564692244.db2.gz NWMAYDSUKZQWBX-GOSISDBHSA-N 1 0 379.913 2.823 20 0 GFADRO C[N@@H+]1CCC[C@@H](CCNC(=O)c2csc(I)c2)C1 ZINC000458178813 564692690 /nfs/dbraw/zinc/69/26/90/564692690.db2.gz WWPYUJGRMYUDHI-JTQLQIEISA-N 1 0 378.279 2.814 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)[C@H]2CC(=O)N(c3cc(Cl)cc(Cl)c3)C2)CC[N@@H+]1C ZINC000525105807 564692942 /nfs/dbraw/zinc/69/29/42/564692942.db2.gz WPNNBDVDSKDGKE-TYNCELHUSA-N 1 0 384.307 2.945 20 0 GFADRO CC[N@H+](CCNC(=O)C(=O)N[C@@H]1CCSc2ccc(Cl)cc21)C(C)C ZINC000552819496 564702085 /nfs/dbraw/zinc/70/20/85/564702085.db2.gz IOOJHNHISKLPHD-OAHLLOKOSA-N 1 0 383.945 2.840 20 0 GFADRO CS(=O)(=O)C1CCC([NH2+]C[C@@H](O)Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000575742302 564702913 /nfs/dbraw/zinc/70/29/13/564702913.db2.gz DNYAMOFHQMLYAN-PCKAHOCUSA-N 1 0 379.444 2.554 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)c2cc(=O)c3cc(Br)ccc3[nH]2)CC[N@@H+]1C ZINC000525620078 564703309 /nfs/dbraw/zinc/70/33/09/564703309.db2.gz ZWFQQYNTPIJUSZ-ZYHUDNBSSA-N 1 0 378.270 2.503 20 0 GFADRO CC[NH+]1C[C@H](C)N(C(=O)c2cc(Br)c3c(c2)OCCO3)[C@@H](C)C1 ZINC000575782227 564703936 /nfs/dbraw/zinc/70/39/36/564703936.db2.gz ZBCVRMSLRDHYGM-RYUDHWBXSA-N 1 0 383.286 2.775 20 0 GFADRO CSC[C@H](O)C[NH2+]C[C@H](c1c(F)cccc1Cl)N1CCO[C@@H](C)C1 ZINC000576029240 564704941 /nfs/dbraw/zinc/70/49/41/564704941.db2.gz ZPMOVQDPLLCQCV-WOSRLPQWSA-N 1 0 376.925 2.554 20 0 GFADRO C[NH+](C)CCN(Cc1ccsc1)C(=O)N[C@H]1CCO[C@]2(CCSC2)C1 ZINC000458546804 564705129 /nfs/dbraw/zinc/70/51/29/564705129.db2.gz AOTQAFBLAMZWDU-FUHWJXTLSA-N 1 0 383.583 2.876 20 0 GFADRO COCC[NH+]1CCC(Nc2ccc(Br)c(C(F)(F)F)n2)CC1 ZINC000552999353 564706506 /nfs/dbraw/zinc/70/65/06/564706506.db2.gz AHLXZGDHJYASIL-UHFFFAOYSA-N 1 0 382.224 3.386 20 0 GFADRO CCOc1cc(C[NH2+][C@@H]2CC(=O)N([C@@H]3C[C@H]3C)C2)cc(Br)c1OC ZINC000525709675 564706546 /nfs/dbraw/zinc/70/65/46/564706546.db2.gz ZSDLQVRZTQQJJY-UXIGCNINSA-N 1 0 397.313 2.955 20 0 GFADRO C[C@H](Cc1cc(Br)ccc1F)NC(=O)NCCc1cn(C)cn1 ZINC000458597009 564707402 /nfs/dbraw/zinc/70/74/02/564707402.db2.gz LABURIHEBODPNB-LLVKDONJSA-N 1 0 383.265 2.795 20 0 GFADRO C[N@@H+]1CCC[C@]2(CCN(S(=O)(=O)c3cc(C(F)(F)F)ccc3F)C2)C1 ZINC000576244117 564708984 /nfs/dbraw/zinc/70/89/84/564708984.db2.gz HINQWEKZBVPDJM-HNNXBMFYSA-N 1 0 380.407 2.951 20 0 GFADRO CSc1nnc(CNC(=O)N[C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)s1 ZINC000525842795 564710582 /nfs/dbraw/zinc/71/05/82/564710582.db2.gz SYEGCIPCLRMGLT-GXTWGEPZSA-N 1 0 377.539 2.895 20 0 GFADRO O=S1(=O)CC[C@H]([NH2+][C@@H]2C[C@@H]3OCCC[C@@H]23)c2cc(Br)ccc21 ZINC000525880539 564712151 /nfs/dbraw/zinc/71/21/51/564712151.db2.gz GFRQGKGNZUXXBB-MHEUCROKSA-N 1 0 386.311 2.825 20 0 GFADRO CO[C@@H]1C[N@H+](Cc2cn(-c3ccc(Br)cc3)nc2C)C[C@@H]1OC ZINC000488522598 564713883 /nfs/dbraw/zinc/71/38/83/564713883.db2.gz ZHZIOGSYWDLMDD-CALCHBBNSA-N 1 0 380.286 2.789 20 0 GFADRO Cc1nc2ccc(Br)cn2c1C(=O)N1CCCC[C@H]1C[NH+](C)C ZINC000526002237 564715391 /nfs/dbraw/zinc/71/53/91/564715391.db2.gz UCVMTXGLNZVRSS-AWEZNQCLSA-N 1 0 379.302 2.962 20 0 GFADRO O=C(c1cc(I)c[nH]1)N1CCC[N@H+](CC2CCC2)CC1 ZINC000576604757 564716248 /nfs/dbraw/zinc/71/62/48/564716248.db2.gz JDHJICWYPADTMD-UHFFFAOYSA-N 1 0 387.265 2.567 20 0 GFADRO COCC[NH2+]C1CCN(C(=O)NCc2nc3cc(Cl)ccc3s2)CC1 ZINC000576761672 564718436 /nfs/dbraw/zinc/71/84/36/564718436.db2.gz SDKVMXGZQBFMPH-UHFFFAOYSA-N 1 0 382.917 2.860 20 0 GFADRO CC[N@H+](Cc1ccc(Cl)c(Cl)c1)[C@@H](C)C(=O)N1CCC[C@H](C(N)=O)C1 ZINC000488729482 564718960 /nfs/dbraw/zinc/71/89/60/564718960.db2.gz UCOKTNVSNDQORF-JSGCOSHPSA-N 1 0 386.323 2.928 20 0 GFADRO C[C@H](NS(=O)(=O)Cc1ccccc1Br)C(C)(C)C[NH+](C)C ZINC000553431289 564720256 /nfs/dbraw/zinc/72/02/56/564720256.db2.gz VUJANQUORFKXSF-LBPRGKRZSA-N 1 0 377.348 2.845 20 0 GFADRO C[NH+](C)CC(C)(C)NC(=O)NCCC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000458846047 564720713 /nfs/dbraw/zinc/72/07/13/564720713.db2.gz CIHQJOKHFGVASS-UHFFFAOYSA-N 1 0 375.300 2.961 20 0 GFADRO COc1cc(C[NH2+][C@H](C)c2ccc(Br)cn2)ccc1OCC(N)=O ZINC000577002014 564722198 /nfs/dbraw/zinc/72/21/98/564722198.db2.gz LBEHGBOMMHCPCT-LLVKDONJSA-N 1 0 394.269 2.568 20 0 GFADRO C[C@H](CCc1ccc(I)cc1)[NH2+]C[C@H](C)S(C)(=O)=O ZINC000526984250 564724312 /nfs/dbraw/zinc/72/43/12/564724312.db2.gz VQFBNDVXUBWEPE-NEPJUHHUSA-N 1 0 395.306 2.635 20 0 GFADRO CCCC[N@H+](C)CCNC(=O)N[C@@H](CO)c1ccc(Br)c(F)c1 ZINC000488988678 564726417 /nfs/dbraw/zinc/72/64/17/564726417.db2.gz VKHKFRIMNGGEQM-HNNXBMFYSA-N 1 0 390.297 2.653 20 0 GFADRO C[N@H+](CC(=O)N1CCc2cc(Br)cc(F)c2C1)[C@@H]1CCSC1 ZINC000527029483 564727010 /nfs/dbraw/zinc/72/70/10/564727010.db2.gz FSZLSCAZAYGRHK-CYBMUJFWSA-N 1 0 387.318 2.910 20 0 GFADRO C[C@H]([NH2+]CCCCn1ccnc1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000527034222 564727416 /nfs/dbraw/zinc/72/74/16/564727416.db2.gz KGONHJBAEHUBQT-NSHDSACASA-N 1 0 391.324 2.968 20 0 GFADRO OC[C@@]1([C@H]([NH2+]Cc2cc3c(cc2Br)OCO3)C2CC2)CCCO1 ZINC000577196776 564728812 /nfs/dbraw/zinc/72/88/12/564728812.db2.gz PXHCKWABFUSDQD-IAGOWNOFSA-N 1 0 384.270 2.588 20 0 GFADRO O=C(N[C@H](c1ccc(Br)cc1)C1CCC1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000489155761 564731372 /nfs/dbraw/zinc/73/13/72/564731372.db2.gz KMHTTYTXURIPSH-MSOLQXFVSA-N 1 0 392.341 2.796 20 0 GFADRO Cc1cc(CNC(=O)NC[C@H](O)C[NH+]2CCC(C)CC2)ccc1Br ZINC000459192414 564735141 /nfs/dbraw/zinc/73/51/41/564735141.db2.gz ZCOSSBGLUOLCLN-INIZCTEOSA-N 1 0 398.345 2.650 20 0 GFADRO C[NH+](C)[C@H]1CCC[C@H](NS(=O)(=O)Cc2ccccc2Br)C1 ZINC000553769688 564735219 /nfs/dbraw/zinc/73/52/19/564735219.db2.gz ZQJIHNHZMHUBAQ-KBPBESRZSA-N 1 0 375.332 2.741 20 0 GFADRO CC[C@@H](CNC(=O)[C@H]1C[N@@H+]2CCN1CCC2)Cc1cccc(Br)c1 ZINC000489354089 564736999 /nfs/dbraw/zinc/73/69/99/564736999.db2.gz HMKKZPNLAFNFHJ-CRAIPNDOSA-N 1 0 394.357 2.524 20 0 GFADRO CC[NH+]1CCN([C@@H](C)CNS(=O)(=O)c2c(Cl)ccc(C)c2Cl)CC1 ZINC000527291198 564737274 /nfs/dbraw/zinc/73/72/74/564737274.db2.gz FSAYMQPIPGNLSO-ZDUSSCGKSA-N 1 0 394.368 2.606 20 0 GFADRO O[C@@H](C[NH2+]CCc1ccc(Br)cc1Cl)COC1CCOCC1 ZINC000577602566 564737435 /nfs/dbraw/zinc/73/74/35/564737435.db2.gz FSDHFDNENATESZ-AWEZNQCLSA-N 1 0 392.721 2.791 20 0 GFADRO C[C@@]1(CNC(=O)c2cnn(-c3ccc(Br)cc3)c2)CCC[NH2+]C1 ZINC000577601527 564737499 /nfs/dbraw/zinc/73/74/99/564737499.db2.gz RQPWQMIKWLSQEQ-QGZVFWFLSA-N 1 0 377.286 2.754 20 0 GFADRO CC1(C)C[C@@H]([NH2+]C[C@@H]2CS(=O)(=O)CCO2)c2cc(Br)ccc21 ZINC000527316542 564738934 /nfs/dbraw/zinc/73/89/34/564738934.db2.gz UOWNCTYCVXRXOO-IUODEOHRSA-N 1 0 388.327 2.575 20 0 GFADRO C[C@@H](CNC(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1)Oc1ccccc1Br ZINC000489446484 564739694 /nfs/dbraw/zinc/73/96/94/564739694.db2.gz NYALBFKTJKBTCH-KBXCAEBGSA-N 1 0 396.329 2.954 20 0 GFADRO C[N@H+](CCn1cc(Cl)cn1)[C@H]1CCCN(CCn2cc(Cl)cn2)CC1 ZINC000459375621 564740961 /nfs/dbraw/zinc/74/09/61/564740961.db2.gz NGSHHJBBRNLRCS-KRWDZBQOSA-N 1 0 385.343 2.873 20 0 GFADRO CN(C[C@H]1CCC[N@H+](C)C1)S(=O)(=O)c1cccc(OC(F)(F)F)c1F ZINC000489471088 564741006 /nfs/dbraw/zinc/74/10/06/564741006.db2.gz DHMITRHBVXVKQB-NSHDSACASA-N 1 0 384.395 2.687 20 0 GFADRO C[C@@H](Cc1ccccc1C(F)(F)F)N(C)S(=O)(=O)CC[NH+]1CCCC1 ZINC000553882413 564743256 /nfs/dbraw/zinc/74/32/56/564743256.db2.gz HMLYAINXYRUFMF-AWEZNQCLSA-N 1 0 378.460 2.994 20 0 GFADRO COC(=O)c1sccc1S(=O)(=O)N(CC[NH+]1CCCCCC1)C(C)C ZINC000553896009 564744447 /nfs/dbraw/zinc/74/44/47/564744447.db2.gz RKVXCLOLWNZUSB-UHFFFAOYSA-N 1 0 388.555 2.810 20 0 GFADRO CCOc1cc(C[NH2+][C@H]2CCO[C@]3(CCOC3)C2)cc(Br)c1O ZINC000459464113 564746298 /nfs/dbraw/zinc/74/62/98/564746298.db2.gz MFYNKHANLOBEDC-SUMWQHHRSA-N 1 0 386.286 2.981 20 0 GFADRO C[C@@H]1NC(=O)N(CC[N@@H+]2CCCC[C@H]2Cc2ccccc2Br)C1=O ZINC000459492509 564746885 /nfs/dbraw/zinc/74/68/85/564746885.db2.gz WRXFOMSMQYXRDF-ZFWWWQNUSA-N 1 0 394.313 2.786 20 0 GFADRO COCc1cc(C[NH2+]C[C@H](CO)Cc2ccc(OC)c(Br)c2)no1 ZINC000459571379 564751719 /nfs/dbraw/zinc/75/17/19/564751719.db2.gz NWAWUSJNIZTHEG-CYBMUJFWSA-N 1 0 399.285 2.533 20 0 GFADRO CC[NH+]1CCN([C@@H](C)CNCc2ncc(Cl)cc2Br)CC1 ZINC000527639658 564753296 /nfs/dbraw/zinc/75/32/96/564753296.db2.gz HQKGLCFDJRANMV-LBPRGKRZSA-N 1 0 375.742 2.613 20 0 GFADRO FC(F)Oc1ccc(Br)cc1CN1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000489798102 564753581 /nfs/dbraw/zinc/75/35/81/564753581.db2.gz WGXGZAXPRMLFBL-AWEZNQCLSA-N 1 0 390.272 2.530 20 0 GFADRO Cc1cc(Br)c(C[NH2+]CCc2ncn(C)n2)cc1Br ZINC000527674457 564754212 /nfs/dbraw/zinc/75/42/12/564754212.db2.gz NRIYKWUBFVRETM-UHFFFAOYSA-N 1 0 388.107 2.981 20 0 GFADRO Cc1c(Br)cccc1CNC(=O)[C@]1([NH3+])[C@H]2CCCO[C@H]2C1(C)C ZINC000579977833 564754342 /nfs/dbraw/zinc/75/43/42/564754342.db2.gz KJNWBSCLSJDQHL-JCKWVBRZSA-N 1 0 381.314 2.906 20 0 GFADRO Cn1cnc(CC[NH2+]Cc2c(F)ccc(I)c2F)c1 ZINC000459653243 564754632 /nfs/dbraw/zinc/75/46/32/564754632.db2.gz DHXPXPRMCPLWTC-UHFFFAOYSA-N 1 0 377.176 2.635 20 0 GFADRO CCNC(=O)N1CC[C@H]([NH2+]Cc2c[nH]nc2-c2ccc(Br)s2)C1 ZINC000527678688 564755153 /nfs/dbraw/zinc/75/51/53/564755153.db2.gz VEXQUHFNIKBUJV-NSHDSACASA-N 1 0 398.330 2.794 20 0 GFADRO C[C@@H](N1CCN(C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)CC1)C(F)(F)F ZINC000489906183 564757624 /nfs/dbraw/zinc/75/76/24/564757624.db2.gz BNPOQBQUCWKOAE-OCCSQVGLSA-N 1 0 378.464 2.629 20 0 GFADRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)NC(C)(C)COc1ncc(Cl)cc1Cl ZINC000580413438 564757615 /nfs/dbraw/zinc/75/76/15/564757615.db2.gz YPKIFESESJSQRS-GWCFXTLKSA-N 1 0 375.300 2.843 20 0 GFADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)c2cnc(-c3ccsc3)s2)CC1 ZINC000489959255 564758391 /nfs/dbraw/zinc/75/83/91/564758391.db2.gz URLIRFDLEIEFGU-AWEZNQCLSA-N 1 0 378.567 2.875 20 0 GFADRO COC1(C[NH2+]C[C@H](CO)Cc2cc(F)cc(Br)c2)CCOCC1 ZINC000459714548 564758956 /nfs/dbraw/zinc/75/89/56/564758956.db2.gz XTFSCXOFVJFUDG-CQSZACIVSA-N 1 0 390.293 2.524 20 0 GFADRO CO[C@@H]1C[C@@H]([NH2+]CC(=O)N(C)Cc2ccccc2Br)C12CCC2 ZINC000459748061 564759914 /nfs/dbraw/zinc/75/99/14/564759914.db2.gz JOTJIYMKLWVWDC-HZPDHXFCSA-N 1 0 381.314 2.955 20 0 GFADRO OC[C@]1([NH2+]Cc2cccc(I)c2)COc2ccccc2C1 ZINC000527770406 564760838 /nfs/dbraw/zinc/76/08/38/564760838.db2.gz VFLNWEKMKFAUIA-KRWDZBQOSA-N 1 0 395.240 2.747 20 0 GFADRO O[C@H](C[NH2+][C@@H]1CCCc2cn[nH]c21)COc1cc(F)cc(Br)c1 ZINC000580543540 564762758 /nfs/dbraw/zinc/76/27/58/564762758.db2.gz HNSHWTPNGRKKTO-UKRRQHHQSA-N 1 0 384.249 2.718 20 0 GFADRO O=C(Nc1cnn(-c2ccccc2Br)c1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000580529903 564763144 /nfs/dbraw/zinc/76/31/44/564763144.db2.gz NLHOLPCQHZCSNK-AWEZNQCLSA-N 1 0 390.285 2.993 20 0 GFADRO O=S(=O)(C[C@H](O)C[NH2+][C@@H]1CCc2cc(F)c(Cl)cc21)c1cccs1 ZINC000527874446 564763397 /nfs/dbraw/zinc/76/33/97/564763397.db2.gz CWCOFLCMUSNOPU-IAQYHMDHSA-N 1 0 389.901 2.952 20 0 GFADRO CC[NH+]1CCN(Cc2ccc(NC(=O)[C@H]3C[C@]3(C)Br)cc2)CC1 ZINC000527941752 564764920 /nfs/dbraw/zinc/76/49/20/564764920.db2.gz POONCUBBIRUFLB-AEFFLSMTSA-N 1 0 380.330 2.936 20 0 GFADRO C[C@H](NC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1)c1cc(F)c(Cl)cc1Cl ZINC000580577073 564766084 /nfs/dbraw/zinc/76/60/84/564766084.db2.gz HFPNZZCLHKRPFE-VWYCJHECSA-N 1 0 390.286 2.909 20 0 GFADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)CCOc3ccc(Br)cc3F)[C@H]2C1 ZINC000490275519 564767191 /nfs/dbraw/zinc/76/71/91/564767191.db2.gz QNECLHWCYNCUAA-DOMZBBRYSA-N 1 0 385.277 2.910 20 0 GFADRO C[N@@H+]1CCCN(c2ccc(-c3noc([C@@H]4C[C@]4(C)Br)n3)cn2)CC1 ZINC000528123511 564770730 /nfs/dbraw/zinc/77/07/30/564770730.db2.gz YUZSDRHWRRGYDQ-GUYCJALGSA-N 1 0 392.301 2.914 20 0 GFADRO CCn1c(-c2cc(Br)c[nH]2)nnc1N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000460206059 564771301 /nfs/dbraw/zinc/77/13/01/564771301.db2.gz RXPFBMRNWVNIOV-CYBMUJFWSA-N 1 0 379.306 2.729 20 0 GFADRO CN(C)CC[N@H+](C)CCCNC(=O)c1ccc(Br)cc1Cl ZINC000554782086 564773798 /nfs/dbraw/zinc/77/37/98/564773798.db2.gz IKZGBRUJBXELKJ-UHFFFAOYSA-N 1 0 376.726 2.716 20 0 GFADRO C[N@H+](CCNC(=O)NC[C@@H]1CCN(c2cccc(Br)c2)C1)C1CC1 ZINC000490921644 564783463 /nfs/dbraw/zinc/78/34/63/564783463.db2.gz KYTDJQQFBIJLIC-AWEZNQCLSA-N 1 0 395.345 2.669 20 0 GFADRO O=C(Nc1ncc(C(F)(F)F)s1)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000581019714 564783584 /nfs/dbraw/zinc/78/35/84/564783584.db2.gz BOHPTMNVPSQEHP-LLVKDONJSA-N 1 0 378.420 2.881 20 0 GFADRO O=C(NCC1([NH+]2CCCC2)CCOCC1)c1cc(O)cc(Br)c1 ZINC000528430570 564783679 /nfs/dbraw/zinc/78/36/79/564783679.db2.gz JIRZRLUMBIXICS-UHFFFAOYSA-N 1 0 383.286 2.530 20 0 GFADRO O[C@H](C[NH+]1CCN(CCc2ccc(Cl)c(Cl)c2)CC1)CC1(O)CCC1 ZINC000528433700 564783800 /nfs/dbraw/zinc/78/38/00/564783800.db2.gz SRHMQXICJOVADR-INIZCTEOSA-N 1 0 387.351 2.820 20 0 GFADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1csc(Br)c1 ZINC000528419768 564784241 /nfs/dbraw/zinc/78/42/41/564784241.db2.gz CLHIWBFGFZCKTG-MELADBBJSA-N 1 0 387.343 2.841 20 0 GFADRO CSC1(CNC(=O)NCc2nc(C(F)(F)F)cs2)CC[NH+](C)CC1 ZINC000555164290 564785579 /nfs/dbraw/zinc/78/55/79/564785579.db2.gz SCZCWTHAZWHCIG-UHFFFAOYSA-N 1 0 382.477 2.789 20 0 GFADRO C[C@H]1C[C@@H](NC(=O)Cc2noc3ccc(Br)cc32)C[N@@H+]1C1CC1 ZINC000581067200 564786156 /nfs/dbraw/zinc/78/61/56/564786156.db2.gz ZNQLPKJALIPCPK-CMPLNLGQSA-N 1 0 378.270 2.874 20 0 GFADRO O=S(=O)(c1ccc(F)c(Br)c1)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000581131705 564789903 /nfs/dbraw/zinc/78/99/03/564789903.db2.gz OLJOXJVMZLDTLR-VXGBXAGGSA-N 1 0 391.306 2.598 20 0 GFADRO C[C@@]1(Br)C[C@@H]1C(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000528528091 564790596 /nfs/dbraw/zinc/79/05/96/564790596.db2.gz RVBWSEZNAGMLPQ-SJLPKXTDSA-N 1 0 381.314 2.951 20 0 GFADRO O=C(NC[C@@H]1C[NH2+]CCCO1)N(Cc1cccc(Br)c1)C1CC1 ZINC000581181200 564791162 /nfs/dbraw/zinc/79/11/62/564791162.db2.gz CQAYRQHYQXSNLQ-INIZCTEOSA-N 1 0 382.302 2.502 20 0 GFADRO COc1cc(Cl)c(S(=O)(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)cc1OC ZINC000528548776 564793566 /nfs/dbraw/zinc/79/35/66/564793566.db2.gz JPOCMCVGMZREPS-ZDUSSCGKSA-N 1 0 388.917 2.652 20 0 GFADRO C[C@@H]1CCC[N@H+](CCNS(=O)(=O)c2ccc(OCC(F)(F)F)cc2)C1 ZINC000491649566 564794327 /nfs/dbraw/zinc/79/43/27/564794327.db2.gz PFFHNWSEHKVGLP-CYBMUJFWSA-N 1 0 380.432 2.638 20 0 GFADRO O=C(NCC[NH2+]Cc1c(Cl)cccc1N1CCOCC1)c1cccs1 ZINC000555524360 564795693 /nfs/dbraw/zinc/79/56/93/564795693.db2.gz IPAVJCYPKPWSDI-UHFFFAOYSA-N 1 0 379.913 2.758 20 0 GFADRO C[C@@H]1NC(=O)N(CC[N@H+](Cc2ccc(Br)cc2)C(C)(C)C)C1=O ZINC000528595812 564797056 /nfs/dbraw/zinc/79/70/56/564797056.db2.gz ZHMRNMTUBKCKMI-LBPRGKRZSA-N 1 0 382.302 2.990 20 0 GFADRO Cc1ccc(C[NH+](C)C)cc1NC(=O)c1ccc(S(N)(=O)=O)cc1Cl ZINC000555540926 564797153 /nfs/dbraw/zinc/79/71/53/564797153.db2.gz YUNIVBAMHLQWHF-UHFFFAOYSA-N 1 0 381.885 2.610 20 0 GFADRO C[C@H](CN1CC[NH+](C)CC1)Nc1cc(C(F)(F)F)c(Br)cn1 ZINC000581307452 564797176 /nfs/dbraw/zinc/79/71/76/564797176.db2.gz QERFLQGIHZQITP-SNVBAGLBSA-N 1 0 381.240 2.911 20 0 GFADRO CC[NH+](CC)[C@@H](C)CNc1ncnc2ccc(I)cc21 ZINC000461457599 564797687 /nfs/dbraw/zinc/79/76/87/564797687.db2.gz RTZAJFPHSZYCPA-NSHDSACASA-N 1 0 384.265 3.377 20 0 GFADRO CC[C@@H]([NH2+][C@@H]1CCc2cc(Br)cc(C)c21)C(=O)N1CCOCC1 ZINC000492044844 564797646 /nfs/dbraw/zinc/79/76/46/564797646.db2.gz KNWSZVLBKWPFQA-HZPDHXFCSA-N 1 0 381.314 2.972 20 0 GFADRO C[C@H](NC(=O)c1ccc(Br)s1)C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000581369247 564798922 /nfs/dbraw/zinc/79/89/22/564798922.db2.gz MZUBOQSCXVPMIN-VIFPVBQESA-N 1 0 394.294 2.871 20 0 GFADRO CCCC[NH+]1CCC(NC(=O)C(=O)NCc2ccc(Cl)cc2Cl)CC1 ZINC000555627748 564799437 /nfs/dbraw/zinc/79/94/37/564799437.db2.gz VVYCDQKOPHRASK-UHFFFAOYSA-N 1 0 386.323 2.990 20 0 GFADRO CC[N@H+](CCO)CCNC(=O)Nc1cc(F)c(Br)c(Cl)c1 ZINC000492295439 564800498 /nfs/dbraw/zinc/80/04/98/564800498.db2.gz VFVROLWNTFDRHI-UHFFFAOYSA-N 1 0 382.661 2.677 20 0 GFADRO C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1[NH2+]CC(=O)Nc1ccc(I)cc1 ZINC000528754427 564803822 /nfs/dbraw/zinc/80/38/22/564803822.db2.gz DGHZOYMEDJXWAI-RSQPEXBXSA-N 1 0 388.249 2.631 20 0 GFADRO O=C(CCNC(=O)c1ccc2c[nH+]cn2c1)Nc1ccc(Br)cc1 ZINC000555785279 564803905 /nfs/dbraw/zinc/80/39/05/564803905.db2.gz DEINNIRENYWPMM-UHFFFAOYSA-N 1 0 387.237 2.855 20 0 GFADRO O=C(c1cc(O)cc(Br)c1)N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000528827255 564806860 /nfs/dbraw/zinc/80/68/60/564806860.db2.gz PPAFBZWPDFNOGH-QGZVFWFLSA-N 1 0 397.313 2.872 20 0 GFADRO O=C(NCc1cccc(Cl)c1Cl)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000555941064 564808740 /nfs/dbraw/zinc/80/87/40/564808740.db2.gz HKBWVUXVJYVAFX-UHFFFAOYSA-N 1 0 384.307 2.600 20 0 GFADRO Cc1cccc(CC(=O)N2CCC([N@H+](C)CCCO)CC2)c1Br ZINC000528903527 564809086 /nfs/dbraw/zinc/80/90/86/564809086.db2.gz JBFVYJUXGZUQMB-UHFFFAOYSA-N 1 0 383.330 2.605 20 0 GFADRO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)c2cccc(F)c2Br)CC1 ZINC000555951611 564809720 /nfs/dbraw/zinc/80/97/20/564809720.db2.gz APFMSFWQFTVWHV-CQSZACIVSA-N 1 0 398.320 2.830 20 0 GFADRO C[N@@H+]1CC[C@H]2CCN(S(=O)(=O)c3cccc(Cl)c3Br)[C@@H]2C1 ZINC000493881060 564811724 /nfs/dbraw/zinc/81/17/24/564811724.db2.gz CIMVYNBOWRCHCN-CMPLNLGQSA-N 1 0 393.734 2.817 20 0 GFADRO C[C@@H]1CN(S(=O)(=O)c2cnccc2C(F)(F)F)CC[N@@H+](C2CCC2)C1 ZINC000581643412 564811778 /nfs/dbraw/zinc/81/17/78/564811778.db2.gz XLOHTKSHVBACJZ-LBPRGKRZSA-N 1 0 377.432 2.595 20 0 GFADRO COC(=O)c1cc(Br)cc(C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)c1 ZINC000462049563 564813335 /nfs/dbraw/zinc/81/33/35/564813335.db2.gz ODPIGDVOYGEQCS-HNNXBMFYSA-N 1 0 395.297 2.982 20 0 GFADRO COCC[N@@H+]1CC[C@H](NC(=O)C[C@@H](C)c2ccc(F)c(Br)c2)C1 ZINC000462052029 564813532 /nfs/dbraw/zinc/81/35/32/564813532.db2.gz IXUJFHHVEISPIM-OCCSQVGLSA-N 1 0 387.293 2.919 20 0 GFADRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)NCc2c(Cl)cccc2Cl)C1 ZINC000556136472 564813574 /nfs/dbraw/zinc/81/35/74/564813574.db2.gz NHJFQBSBOBDXBV-CYBMUJFWSA-N 1 0 386.323 2.846 20 0 GFADRO COCC[N@@H+]1CC[C@@H](NC(=O)C[C@H](C)c2ccc(F)c(Br)c2)C1 ZINC000462052027 564813572 /nfs/dbraw/zinc/81/35/72/564813572.db2.gz IXUJFHHVEISPIM-GXTWGEPZSA-N 1 0 387.293 2.919 20 0 GFADRO CC[N@@H+]1CCC[C@@H](CNS(=O)(=O)CCc2ccccc2Br)C1 ZINC000462072852 564816080 /nfs/dbraw/zinc/81/60/80/564816080.db2.gz GRGHBEJLBFJNAL-AWEZNQCLSA-N 1 0 389.359 2.643 20 0 GFADRO COCCOc1ccc(C[NH2+][C@H](C)Cn2cc(Br)ccc2=O)cc1 ZINC000556236124 564816174 /nfs/dbraw/zinc/81/61/74/564816174.db2.gz NNDONGWXKYXFSE-CQSZACIVSA-N 1 0 395.297 2.814 20 0 GFADRO O=C(N[C@H]1CCc2c1ccc(Cl)c2Cl)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000581820868 564819035 /nfs/dbraw/zinc/81/90/35/564819035.db2.gz ZOYVVTQBJDFSKO-HZMBPMFUSA-N 1 0 380.279 2.754 20 0 GFADRO C[C@H]([NH2+][C@@]1(C)CCO[C@@H]1C)C(=O)Nc1ccc(I)cc1 ZINC000494214520 564819055 /nfs/dbraw/zinc/81/90/55/564819055.db2.gz AYMUYJVZBIDVGH-RWSFTLGLSA-N 1 0 388.249 2.775 20 0 GFADRO Cc1c(Br)ccnc1NC(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000529108599 564820198 /nfs/dbraw/zinc/82/01/98/564820198.db2.gz JHVMCOLMTCXJKH-UHFFFAOYSA-N 1 0 397.317 2.871 20 0 GFADRO CCCC[N@H+](C)CCNS(=O)(=O)CCc1ccccc1Br ZINC000462112484 564820307 /nfs/dbraw/zinc/82/03/07/564820307.db2.gz RQYJYIDWOVPHJO-UHFFFAOYSA-N 1 0 377.348 2.643 20 0 GFADRO CC[NH+]1CCC(NC(=O)CN(C)Cc2ccc(Br)c(F)c2)CC1 ZINC000494266703 564821098 /nfs/dbraw/zinc/82/10/98/564821098.db2.gz AGRJOQRBIOMVGD-UHFFFAOYSA-N 1 0 386.309 2.621 20 0 GFADRO O=C(NCCOc1cccc(Br)c1)[C@@]1(c2ccccc2)CC[NH2+]C1 ZINC000581983732 564825682 /nfs/dbraw/zinc/82/56/82/564825682.db2.gz LYYXLOIWXHSVJS-IBGZPJMESA-N 1 0 389.293 2.875 20 0 GFADRO C[C@H]1C[C@H]1[N@@H+]1CCN(C(=O)c2nc(C3CC3)ncc2Br)C[C@@H](C)C1 ZINC000494387278 564827471 /nfs/dbraw/zinc/82/74/71/564827471.db2.gz RLPGBJHTDOGXNK-SLEUVZQESA-N 1 0 393.329 2.919 20 0 GFADRO CCc1nn(C)c(OC)c1C[NH2+]C[C@H](O)COc1cc(Cl)ccc1Cl ZINC000582058279 564829613 /nfs/dbraw/zinc/82/96/13/564829613.db2.gz VMDCHYUFYDLHTQ-LBPRGKRZSA-N 1 0 388.295 2.827 20 0 GFADRO O=C(C[NH2+][C@@H](CO)C1CCOCC1)Nc1c(Cl)cc(Cl)cc1Cl ZINC000582082809 564829916 /nfs/dbraw/zinc/82/99/16/564829916.db2.gz WSETVBWJZJUYGR-ZDUSSCGKSA-N 1 0 381.687 2.962 20 0 GFADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)Nc1ccncc1Br ZINC000462274222 564829926 /nfs/dbraw/zinc/82/99/26/564829926.db2.gz YIQZKIYKTZNDGT-CXAGYDPISA-N 1 0 389.297 2.908 20 0 GFADRO C[C@H]([NH2+][C@H]1CCO[C@H]1C1CC1)C(=O)N(C)Cc1ccc(Br)cc1 ZINC000494466789 564831638 /nfs/dbraw/zinc/83/16/38/564831638.db2.gz PVLIRFDTIBAEKD-ZLIFDBKOSA-N 1 0 381.314 2.953 20 0 GFADRO CC[C@H]1CN(C(=O)NCc2cc(F)c(Br)cc2F)CC[C@@H]1[NH3+] ZINC000529368382 564832285 /nfs/dbraw/zinc/83/22/85/564832285.db2.gz BYIRBISOCYVAGD-XPTSAGLGSA-N 1 0 376.245 2.996 20 0 GFADRO CC[N@H+](CCNC(=O)Nc1cccc(C(=O)NC)c1Br)C(C)C ZINC000494517929 564832708 /nfs/dbraw/zinc/83/27/08/564832708.db2.gz FDLJXPUVNPFNBJ-UHFFFAOYSA-N 1 0 385.306 2.661 20 0 GFADRO Cc1c(Br)cc(C[N@H+](C)CCOCCO)cc1Br ZINC000556617641 564832806 /nfs/dbraw/zinc/83/28/06/564832806.db2.gz NIKWKVBTUCHBAN-UHFFFAOYSA-N 1 0 381.108 2.961 20 0 GFADRO OCC[N@H+](Cc1cccc(I)c1)[C@@H]1CCCSC1 ZINC000556628979 564833009 /nfs/dbraw/zinc/83/30/09/564833009.db2.gz MKBIKOIQMJHQMS-CQSZACIVSA-N 1 0 377.291 2.981 20 0 GFADRO Cc1cccc(CC(=O)N2CCC[C@@H](C[N@@H+]3CC[C@H](O)C3)C2)c1Br ZINC000529399478 564833824 /nfs/dbraw/zinc/83/38/24/564833824.db2.gz QLIXVDUTAXZTGM-RDJZCZTQSA-N 1 0 395.341 2.605 20 0 GFADRO Cc1ccc(C[C@H](CO)C[NH2+]C[C@](C)(O)C(F)(F)F)cc1Br ZINC000582181271 564834304 /nfs/dbraw/zinc/83/43/04/564834304.db2.gz OFROBCPFAOIUDE-JSGCOSHPSA-N 1 0 384.236 2.811 20 0 GFADRO Cc1cccc(CC(=O)N2CCC[C@H](N3CCOCC3)C2)c1Br ZINC000529439136 564835975 /nfs/dbraw/zinc/83/59/75/564835975.db2.gz KUNLVHPNFMXACZ-INIZCTEOSA-N 1 0 381.314 2.623 20 0 GFADRO COCC[NH+]1CCN(Cc2c[nH]nc2-c2ccc(Br)s2)CC1 ZINC000529519163 564838950 /nfs/dbraw/zinc/83/89/50/564838950.db2.gz HCTUMOPVBLDYGM-UHFFFAOYSA-N 1 0 385.331 2.665 20 0 GFADRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(Cc2ncc(Br)cc2F)CC1 ZINC000529525899 564839639 /nfs/dbraw/zinc/83/96/39/564839639.db2.gz NPEXARMOGMOUFA-HUUCEWRRSA-N 1 0 399.352 2.974 20 0 GFADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)c1 ZINC000462440107 564840054 /nfs/dbraw/zinc/84/00/54/564840054.db2.gz JHJPXASYEMXJMF-STQMWFEESA-N 1 0 388.917 2.525 20 0 GFADRO Cn1ccnc1[C@H]1CC[N@@H+]([C@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000582309001 564840983 /nfs/dbraw/zinc/84/09/83/564840983.db2.gz HMGXCFOIISTREO-BBRMVZONSA-N 1 0 389.297 2.777 20 0 GFADRO Cc1nccn1C[C@@H](C)C[NH2+]C[C@@H](O)COc1cccc(Br)c1 ZINC000582355366 564842510 /nfs/dbraw/zinc/84/25/10/564842510.db2.gz IASHRHYMRSIXAC-XJKSGUPXSA-N 1 0 382.302 2.620 20 0 GFADRO CC[N@H+](CCNC(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1)C1CC1 ZINC000494917566 564843980 /nfs/dbraw/zinc/84/39/80/564843980.db2.gz MOSIMJSZPVNOBT-OAHLLOKOSA-N 1 0 395.345 2.811 20 0 GFADRO C[C@H]1C[C@@H](NS(=O)(=O)c2cc(Br)ccc2Cl)CC[N@@H+]1C ZINC000462499692 564844320 /nfs/dbraw/zinc/84/43/20/564844320.db2.gz JGSBEXNZPKJJTA-ONGXEEELSA-N 1 0 381.723 2.864 20 0 GFADRO C[C@@H]1C[C@H](NS(=O)(=O)c2cc(Br)ccc2Cl)CC[N@@H+]1C ZINC000462499691 564844433 /nfs/dbraw/zinc/84/44/33/564844433.db2.gz JGSBEXNZPKJJTA-MWLCHTKSSA-N 1 0 381.723 2.864 20 0 GFADRO C[C@@H](NC(=O)NCc1cc(Br)cc2c1OCC2)[C@@H]1CCC[NH2+]C1 ZINC000582409876 564845375 /nfs/dbraw/zinc/84/53/75/564845375.db2.gz BPLFBGQNZDZIDE-DGCLKSJQSA-N 1 0 382.302 2.571 20 0 GFADRO CO[C@@H]1CCN(C(=O)c2cc(C)c(Br)c(Cl)c2)[C@@H](C[NH3+])C1 ZINC000582415092 564845896 /nfs/dbraw/zinc/84/58/96/564845896.db2.gz YHMXVGDPBAYMEI-VXGBXAGGSA-N 1 0 375.694 2.989 20 0 GFADRO C[C@H](C(=O)N1CC[N@H+](CC(C)(C)O)C[C@@H]1C)c1cccc(Br)c1 ZINC000462543783 564846123 /nfs/dbraw/zinc/84/61/23/564846123.db2.gz LPASSAFCJPFYSP-KBPBESRZSA-N 1 0 383.330 2.856 20 0 GFADRO COC[C@H](C)[C@H](C)C(=O)NCCc1cn2cc(Br)cc(C)c2n1 ZINC000462553664 564847206 /nfs/dbraw/zinc/84/72/06/564847206.db2.gz PZWZDVPUIKZEKJ-STQMWFEESA-N 1 0 382.302 2.983 20 0 GFADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)NC[C@H](C)C[NH+]2CCCCC2)c1 ZINC000462545563 564847581 /nfs/dbraw/zinc/84/75/81/564847581.db2.gz XPBARRNMEUTUKC-ZDUSSCGKSA-N 1 0 388.917 2.527 20 0 GFADRO O=C([C@@H]1CCC[N@@H+]1C1CC1)N1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000495105157 564848828 /nfs/dbraw/zinc/84/88/28/564848828.db2.gz RZHVPNNVOFGEJS-DLBZAZTESA-N 1 0 379.298 2.976 20 0 GFADRO COC(=O)c1cc(C[NH2+]CCCS(=O)(=O)c2ccc(Cl)cc2)oc1C ZINC000556967610 564848954 /nfs/dbraw/zinc/84/89/54/564848954.db2.gz NIKBGEDQAOXUIR-UHFFFAOYSA-N 1 0 385.869 2.982 20 0 GFADRO C[C@@H](NC(=O)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)c1ccc(Br)cc1 ZINC000557014721 564850803 /nfs/dbraw/zinc/85/08/03/564850803.db2.gz OUMWBNYOPRVOKZ-CHWSQXEVSA-N 1 0 398.345 2.719 20 0 GFADRO Cc1nc(C(=O)N2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)c(Br)s1 ZINC000582532536 564851246 /nfs/dbraw/zinc/85/12/46/564851246.db2.gz OPICTPGMGKYIQD-GRYCIOLGSA-N 1 0 388.331 2.538 20 0 GFADRO O=S(=O)(CC[NH2+]CCN1CCc2c(Cl)cccc2C1)c1ccccc1 ZINC000582541562 564851421 /nfs/dbraw/zinc/85/14/21/564851421.db2.gz IDLGSAKZWNQQGW-UHFFFAOYSA-N 1 0 378.925 2.762 20 0 GFADRO CN(C)CC[N@H+](C)CCCNC(=O)C1(Cc2ccccc2Br)CC1 ZINC000557062639 564852573 /nfs/dbraw/zinc/85/25/73/564852573.db2.gz DLVPCNANJWDMFH-UHFFFAOYSA-N 1 0 396.373 2.772 20 0 GFADRO O=C1NCCC[C@@H]1[NH2+]C1(Cc2ccc(F)cc2Br)CCOCC1 ZINC000582592330 564853815 /nfs/dbraw/zinc/85/38/15/564853815.db2.gz ZPRZJBNCWRZXDM-HNNXBMFYSA-N 1 0 385.277 2.548 20 0 GFADRO CS[C@@H]1CN(C(=O)c2cc(N3CCCC3=O)ccc2Cl)C[C@@H]1[NH+](C)C ZINC000495696628 564856015 /nfs/dbraw/zinc/85/60/15/564856015.db2.gz MBFVSTQFDBZHLI-JKSUJKDBSA-N 1 0 381.929 2.584 20 0 GFADRO C[C@@H](C[NH3+])CNC(=O)NCCOc1ccc2cc(Br)ccc2c1 ZINC000582655309 564856282 /nfs/dbraw/zinc/85/62/82/564856282.db2.gz IAXBUBQUWBTAPA-LBPRGKRZSA-N 1 0 380.286 2.875 20 0 GFADRO CN(CCC[NH3+])C(=O)NCCOc1ccc2cc(Br)ccc2c1 ZINC000557164854 564856940 /nfs/dbraw/zinc/85/69/40/564856940.db2.gz ZDMCNBJTPKGDNJ-UHFFFAOYSA-N 1 0 380.286 2.971 20 0 GFADRO C[C@H](CNC(=O)[C@H](C)NC(=O)c1cccc(Cl)c1Cl)C[NH+]1CCCC1 ZINC000495775631 564857092 /nfs/dbraw/zinc/85/70/92/564857092.db2.gz UBAGWLJFTYCJKN-OLZOCXBDSA-N 1 0 386.323 2.960 20 0 GFADRO C[C@H](NC(=O)N1CCO[C@@H](c2ccc(Br)cc2)C1)[C@H]1CCC[NH2+]C1 ZINC000557215449 564858646 /nfs/dbraw/zinc/85/86/46/564858646.db2.gz ZAARGBAIDHWZOB-JLJPHGGASA-N 1 0 396.329 2.920 20 0 GFADRO CCc1nc(C(=O)NCC[NH+]2CCCC2)nn1-c1c(Cl)cccc1Cl ZINC000496163941 564859299 /nfs/dbraw/zinc/85/92/99/564859299.db2.gz AUEASTCCZLPJNL-UHFFFAOYSA-N 1 0 382.295 2.962 20 0 GFADRO CCn1nc(C(=O)N[C@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)ccc1=O ZINC000530031416 564860079 /nfs/dbraw/zinc/86/00/79/564860079.db2.gz ILZMKCLEDAKLAX-OAHLLOKOSA-N 1 0 383.279 2.603 20 0 GFADRO CCCC[N@H+](C)CCNc1ncnc2ccc(I)cc21 ZINC000462848893 564860819 /nfs/dbraw/zinc/86/08/19/564860819.db2.gz YNBIPXKSYNPOTR-UHFFFAOYSA-N 1 0 384.265 3.378 20 0 GFADRO C[C@@H](CNC(=O)C(=O)NCCCc1ccc(Cl)cc1Cl)[N@H+](C)C1CC1 ZINC000557425672 564862576 /nfs/dbraw/zinc/86/25/76/564862576.db2.gz UBFRNHNOLFYQFO-LBPRGKRZSA-N 1 0 386.323 2.641 20 0 GFADRO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)C(=O)c3cc(C(N)=O)cs3)C2)s1 ZINC000582812426 564863560 /nfs/dbraw/zinc/86/35/60/564863560.db2.gz FVGDPUZPDSNLSY-ZDUSSCGKSA-N 1 0 377.535 2.811 20 0 GFADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cc(Br)cn3C)n2C)C[C@@H]1C ZINC000557526055 564866339 /nfs/dbraw/zinc/86/63/39/564866339.db2.gz TTXJODNQNMVHRJ-RYUDHWBXSA-N 1 0 381.322 2.502 20 0 GFADRO CC[NH+](CC)CC[C@@H](CO)NC(=O)Nc1ccc(OC)c(Br)c1 ZINC000497444782 564867259 /nfs/dbraw/zinc/86/72/59/564867259.db2.gz RGPHAQUSJMSKRD-ZDUSSCGKSA-N 1 0 388.306 2.672 20 0 GFADRO O=C(NCC1([NH+]2CCCCC2)CCOCC1)c1scnc1C(F)(F)F ZINC000557596876 564869686 /nfs/dbraw/zinc/86/96/86/564869686.db2.gz PNBSJBJUYDJSDX-UHFFFAOYSA-N 1 0 377.432 2.927 20 0 GFADRO [NH3+]C[C@H](NS(=O)(=O)Cc1cccc(Br)c1)C1CCCCC1 ZINC000582963954 564870172 /nfs/dbraw/zinc/87/01/72/564870172.db2.gz CXLAZVYPMWMKTQ-HNNXBMFYSA-N 1 0 375.332 2.776 20 0 GFADRO CC[NH+](CC)CCCNC(=O)C(=O)Nc1cc(C)c(Br)cc1F ZINC000497600612 564872080 /nfs/dbraw/zinc/87/20/80/564872080.db2.gz CLMFBCDMPMFQQD-UHFFFAOYSA-N 1 0 388.281 2.683 20 0 GFADRO C[N@H+](CC(=O)NCc1cc(F)c(F)cc1Br)[C@H]1CCSC1 ZINC000557685816 564872381 /nfs/dbraw/zinc/87/23/81/564872381.db2.gz FSDIDUPKJQMHHU-JTQLQIEISA-N 1 0 379.270 2.781 20 0 GFADRO C[C@@H](COc1ccc2cc(Br)ccc2c1)[NH2+]C[C@H]1COCCN1 ZINC000530219580 564872850 /nfs/dbraw/zinc/87/28/50/564872850.db2.gz GWGOZBRORIXNRG-GUYCJALGSA-N 1 0 379.298 2.948 20 0 GFADRO CC(C)[N@H+](C[C@@H](O)COc1cc(F)cc(Br)c1)[C@@H]1CCOC1 ZINC000463229590 564872949 /nfs/dbraw/zinc/87/29/49/564872949.db2.gz LCSMIRPBDNZCJD-HUUCEWRRSA-N 1 0 376.266 2.827 20 0 GFADRO CN(C)c1cc(Cl)cc(Cl)c1C[NH2+][C@H]1CCC[C@@H]1CNS(C)(=O)=O ZINC000583053613 564873503 /nfs/dbraw/zinc/87/35/03/564873503.db2.gz KZKYIJLXBBVEQQ-ABAIWWIYSA-N 1 0 394.368 2.867 20 0 GFADRO CN(C)c1cc(Cl)cc(Cl)c1C[NH2+][C@@H]1CCC[C@H]1CNS(C)(=O)=O ZINC000583053616 564873889 /nfs/dbraw/zinc/87/38/89/564873889.db2.gz KZKYIJLXBBVEQQ-XHDPSFHLSA-N 1 0 394.368 2.867 20 0 GFADRO CC(C)[C@@H]([NH2+]Cc1sccc1Cl)C(=O)N(C)Cc1nnc2n1CCC2 ZINC000530278800 564875129 /nfs/dbraw/zinc/87/51/29/564875129.db2.gz XWMJBZMXFDBNND-MRXNPFEDSA-N 1 0 381.933 2.712 20 0 GFADRO CCCC[N@H+](C)C[C@@H](C)NC(=O)C(=O)N1CCc2ccc(Br)cc21 ZINC000583114686 564876222 /nfs/dbraw/zinc/87/62/22/564876222.db2.gz YZRWLZVAQTVLFZ-CYBMUJFWSA-N 1 0 396.329 2.575 20 0 GFADRO CC[NH+](CC)CC[C@H](CO)NC(=O)Nc1ccc(F)c(Br)c1 ZINC000497840219 564877351 /nfs/dbraw/zinc/87/73/51/564877351.db2.gz ZEKMZWBXDJHAGY-GFCCVEGCSA-N 1 0 376.270 2.803 20 0 GFADRO CC[NH+](CC)CCN(c1cccc(C(F)(F)F)c1)S(=O)(=O)CCOC ZINC000463379547 564878095 /nfs/dbraw/zinc/87/80/95/564878095.db2.gz FCDOGMWSCLFYKA-UHFFFAOYSA-N 1 0 382.448 2.830 20 0 GFADRO O=S(=O)(CC[NH2+][C@@H]1CC=C(c2ccc(F)cc2)CC1)N1CCSCC1 ZINC000497850577 564878283 /nfs/dbraw/zinc/87/82/83/564878283.db2.gz BOPRDWWPTUZKHW-GOSISDBHSA-N 1 0 384.542 2.730 20 0 GFADRO CC1(C)CCC[NH2+][C@@H]1CNC(=O)c1cc(=O)c2cc(Br)ccc2[nH]1 ZINC000583145822 564878595 /nfs/dbraw/zinc/87/85/95/564878595.db2.gz YXKZTVCBUMZNNM-MRXNPFEDSA-N 1 0 392.297 2.799 20 0 GFADRO Cc1cc(N2CC[C@H]([N@H+](C)CCc3cccc(Br)c3)C2=O)n(C)n1 ZINC000463422881 564879994 /nfs/dbraw/zinc/87/99/94/564879994.db2.gz DQBYBHYJOHPURS-INIZCTEOSA-N 1 0 391.313 2.771 20 0 GFADRO CC[N@@H+](CC(=O)N(C)CCOc1ccc(Br)cc1)C[C@@H](C)OC ZINC000463410935 564880130 /nfs/dbraw/zinc/88/01/30/564880130.db2.gz DJPALWOBPPYCKM-CQSZACIVSA-N 1 0 387.318 2.643 20 0 GFADRO CCN1C[C@H](C)N(S(=O)(=O)Cc2ccccc2Br)C[C@H]1C ZINC000557841482 564880768 /nfs/dbraw/zinc/88/07/68/564880768.db2.gz DKCCMKCDVWTWRM-OLZOCXBDSA-N 1 0 375.332 2.693 20 0 GFADRO C[C@H]([NH2+]Cc1nnc(-c2ccc(Br)cc2)[nH]1)C(C)(C)n1cncn1 ZINC000583208070 564881416 /nfs/dbraw/zinc/88/14/16/564881416.db2.gz XBYKGRCVLFYVAJ-NSHDSACASA-N 1 0 390.289 2.739 20 0 GFADRO CC[N@H+](C[C@H](O)COc1ccc(Cl)cc1Br)[C@@H]1CCOC1 ZINC000463455286 564881830 /nfs/dbraw/zinc/88/18/30/564881830.db2.gz LPMREHFVZASXHC-OLZOCXBDSA-N 1 0 378.694 2.953 20 0 GFADRO C[N@@H+]1CCC[C@@H]1CNC(=O)c1c(Cl)cccc1I ZINC000463528055 564884201 /nfs/dbraw/zinc/88/42/01/564884201.db2.gz SIWQMANWWIUHOZ-SECBINFHSA-N 1 0 378.641 2.769 20 0 GFADRO CC[C@@H]1C[N@H+](C)CCN1C(=O)C[C@H](NC(C)=O)c1ccc(Br)cc1 ZINC000557920403 564885600 /nfs/dbraw/zinc/88/56/00/564885600.db2.gz VGTSTLJDANKROI-SJORKVTESA-N 1 0 396.329 2.569 20 0 GFADRO C[C@H](OC[C@H](O)C[NH2+]C1CCC(S(C)(=O)=O)CC1)c1ccc(Cl)cc1 ZINC000583317335 564886646 /nfs/dbraw/zinc/88/66/46/564886646.db2.gz DPZCIZADRFFBGW-SJSXWMTQSA-N 1 0 389.945 2.724 20 0 GFADRO CC[NH+](CC)CCOCCNC(=O)c1c(F)cc(Br)cc1F ZINC000583408158 564890158 /nfs/dbraw/zinc/89/01/58/564890158.db2.gz KFTRCTMBOZZFLC-UHFFFAOYSA-N 1 0 379.245 2.816 20 0 GFADRO C[C@]1([NH3+])CCCC[C@H]1C(=O)NC[C@@H](O)COc1cccc(Cl)c1Cl ZINC000498191244 564890693 /nfs/dbraw/zinc/89/06/93/564890693.db2.gz HACMAFMVUUGSIZ-PEBVRCNWSA-N 1 0 375.296 2.757 20 0 GFADRO [NH3+]C1(C(=O)NCc2ccc(Br)cc2C(F)(F)F)CCOCC1 ZINC000498173632 564890877 /nfs/dbraw/zinc/89/08/77/564890877.db2.gz NNRHEFQUMQUJJA-UHFFFAOYSA-N 1 0 381.192 2.592 20 0 GFADRO O=C(CC[NH2+]C[C@@H]1CS(=O)(=O)c2ccccc21)Nc1ccc(Cl)cc1 ZINC000583435955 564891123 /nfs/dbraw/zinc/89/11/23/564891123.db2.gz LLLMAOCVXWHBSD-CYBMUJFWSA-N 1 0 378.881 2.829 20 0 GFADRO O=C(NCCC[C@H]1CCC[NH2+]1)[C@@H]1CCN(c2cc(Cl)ccc2Cl)C1=O ZINC000583499114 564894849 /nfs/dbraw/zinc/89/48/49/564894849.db2.gz POUZIUPRWJUWPP-KGLIPLIRSA-N 1 0 384.307 2.995 20 0 GFADRO CCCC[N@H+](C)C[C@H](C)NC(=O)C(=O)Nc1ccc(F)c(Br)c1 ZINC000558239122 564896415 /nfs/dbraw/zinc/89/64/15/564896415.db2.gz WGHDCDNVBUPUIV-NSHDSACASA-N 1 0 388.281 2.763 20 0 GFADRO CCC(=O)N1CSC[C@H]1C(=O)N(CC[NH+](CC)CC)Cc1cccs1 ZINC000464142843 564896987 /nfs/dbraw/zinc/89/69/87/564896987.db2.gz UKFUYAOSAKADOU-INIZCTEOSA-N 1 0 383.583 2.730 20 0 GFADRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1cn(-c2ccc(Br)cc2)nc1C ZINC000498349946 564897056 /nfs/dbraw/zinc/89/70/56/564897056.db2.gz NIVYLSOMYOUHFS-SJORKVTESA-N 1 0 391.313 2.948 20 0 GFADRO Cc1ccc2nc(C[NH2+]C[C@H](O)COc3ccc(Br)cc3)cn2c1 ZINC000583559660 564897645 /nfs/dbraw/zinc/89/76/45/564897645.db2.gz FWHONJVLHCXTMG-INIZCTEOSA-N 1 0 390.281 2.935 20 0 GFADRO C[C@@H]1c2cc(Cl)c(Cl)cc2CCN1C(=O)C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000583625203 564899453 /nfs/dbraw/zinc/89/94/53/564899453.db2.gz TVDUBRKZYDYRTE-NEPJUHHUSA-N 1 0 384.307 2.636 20 0 GFADRO CC[N@@H+]1C[C@H](C)N(C(=O)c2ccc(F)cc2I)C[C@H]1C ZINC000498555559 564901732 /nfs/dbraw/zinc/90/17/32/564901732.db2.gz ASXQUXAUBXFJAE-MNOVXSKESA-N 1 0 390.240 2.985 20 0 GFADRO COC[C@H](C)OC[C@H](O)C[NH2+]CC1(c2cccc(Br)c2)CCC1 ZINC000583688615 564903100 /nfs/dbraw/zinc/90/31/00/564903100.db2.gz RWQYZCMGUBISKL-WMLDXEAASA-N 1 0 386.330 2.873 20 0 GFADRO CC(C)(C)[C@@H]1CC[N@H+](Cc2cc(=O)n3cc(Br)ccc3n2)C[C@@H]1O ZINC000583720052 564904479 /nfs/dbraw/zinc/90/44/79/564904479.db2.gz OWXZLJNVOBZLGN-CABCVRRESA-N 1 0 394.313 2.686 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)c2ccc(-n3cc(Br)cn3)cc2)C[N@@H+]1C1CC1 ZINC000531244100 564904715 /nfs/dbraw/zinc/90/47/15/564904715.db2.gz CFJRHWAUGMWVHS-DOMZBBRYSA-N 1 0 389.297 2.990 20 0 GFADRO O=C(NCc1cnn(-c2ccc(Br)cc2)c1)[C@H]1CCC[N@@H+]1C1CC1 ZINC000583729387 564904922 /nfs/dbraw/zinc/90/49/22/564904922.db2.gz RILOAJXOQIOVQM-QGZVFWFLSA-N 1 0 389.297 2.878 20 0 GFADRO C[C@@H](CNC(=O)C(=O)Nc1cc(Cl)ccc1C(F)(F)F)[N@H+](C)C1CC1 ZINC000498673392 564905155 /nfs/dbraw/zinc/90/51/55/564905155.db2.gz UVIBTAOJKIOKNS-VIFPVBQESA-N 1 0 377.794 2.896 20 0 GFADRO O=C(NCc1csc(Br)c1)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000531290874 564906654 /nfs/dbraw/zinc/90/66/54/564906654.db2.gz ZCKPPQLACWZFGB-KRWDZBQOSA-N 1 0 395.322 2.764 20 0 GFADRO C[C@H]1CC[N@H+](C)CCN1C(=O)Cc1csc(NC(=O)c2cccs2)n1 ZINC000498740339 564907469 /nfs/dbraw/zinc/90/74/69/564907469.db2.gz XPJKUNYAFALEBI-LBPRGKRZSA-N 1 0 378.523 2.552 20 0 GFADRO Cc1cc(N2CCC[C@H]([N@@H+]3C[C@@H]4CC[C@H](O)[C@@H]4C3)C2=O)ccc1Br ZINC000464495340 564908282 /nfs/dbraw/zinc/90/82/82/564908282.db2.gz JRXQKSGDUSCWOY-DHXZDTOLSA-N 1 0 393.325 2.956 20 0 GFADRO C[N@@H+]1C[C@H](NS(=O)(=O)c2ccc(Br)cc2)[C@@H](c2ccccc2)C1 ZINC000498877302 564911418 /nfs/dbraw/zinc/91/14/18/564911418.db2.gz SCCWCAHDFPXJEJ-SJORKVTESA-N 1 0 395.322 2.825 20 0 GFADRO CCNS(=O)(=O)[C@@H]1CCN(Cc2cnc(-c3ccc(Cl)cc3)s2)C1 ZINC000583922591 564912927 /nfs/dbraw/zinc/91/29/27/564912927.db2.gz FQIDIPGXRIGNCQ-OAHLLOKOSA-N 1 0 385.942 2.977 20 0 GFADRO CS[C@H](CO)[C@@H](C)[NH2+]C[C@H](O)COc1ccc(Cl)cc1Br ZINC000583934358 564913795 /nfs/dbraw/zinc/91/37/95/564913795.db2.gz CHVYLWACIVDMKI-OLUVUFQESA-N 1 0 398.750 2.544 20 0 GFADRO [NH3+]C[C@@H]1CN(CC(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)CCCO1 ZINC000584043799 564918145 /nfs/dbraw/zinc/91/81/45/564918145.db2.gz QRWTZWMPQXGYSP-RHSMWYFYSA-N 1 0 386.323 2.707 20 0 GFADRO O=C(CC[N@@H+]1CCC[C@@]2(CNC(=O)C2)C1)Nc1ccc(Br)cc1F ZINC000464796359 564918974 /nfs/dbraw/zinc/91/89/74/564918974.db2.gz BCBSGKFVHUDBSQ-QGZVFWFLSA-N 1 0 398.276 2.519 20 0 GFADRO CCC[N@H+](CC)C[C@@H](C)NC(=O)c1ccc(Br)cc1-n1cncn1 ZINC000584146043 564922293 /nfs/dbraw/zinc/92/22/93/564922293.db2.gz FBURRYSHMKQKRK-CYBMUJFWSA-N 1 0 394.317 2.880 20 0 GFADRO O[C@H](C[NH2+][C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1)COC1CCOCC1 ZINC000584168543 564923141 /nfs/dbraw/zinc/92/31/41/564923141.db2.gz ODSCZKVUOQYZBD-UKRRQHHQSA-N 1 0 389.323 2.718 20 0 GFADRO CCN(Cc1ccc(Cl)s1)C(=O)Nc1cnc(N2CC[NH2+]CC2)nc1 ZINC000584160946 564923485 /nfs/dbraw/zinc/92/34/85/564923485.db2.gz FYLLHNGUMNMEQR-UHFFFAOYSA-N 1 0 380.905 2.655 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC000584180703 564923858 /nfs/dbraw/zinc/92/38/58/564923858.db2.gz AHYVUMZVQNTUMM-LBPRGKRZSA-N 1 0 382.302 2.544 20 0 GFADRO NC(=O)COc1cccc(C[NH2+][C@@H]2CCc3cccc(Br)c3C2)c1 ZINC000559273297 564928922 /nfs/dbraw/zinc/92/89/22/564928922.db2.gz NKRDKUYTDZHEQT-OAHLLOKOSA-N 1 0 389.293 2.960 20 0 GFADRO C[N@@H+]1CCC[C@@]2(CCN(C[C@H](O)COc3ccc(Br)cc3)C2)C1 ZINC000559312055 564929810 /nfs/dbraw/zinc/92/98/10/564929810.db2.gz NUWZJPRQEWOIRE-FUHWJXTLSA-N 1 0 383.330 2.607 20 0 GFADRO CC[C@@H](CSC)N(C)C(=O)C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000559400810 564932351 /nfs/dbraw/zinc/93/23/51/564932351.db2.gz RRQWGFRWMJRHAO-GJZGRUSLSA-N 1 0 383.583 2.601 20 0 GFADRO COc1cc(C(=O)N2CC[NH+](CC3CC3)CC2)cc(Br)c1OC ZINC000559491593 564934185 /nfs/dbraw/zinc/93/41/85/564934185.db2.gz LCLSYACNPSWNTM-UHFFFAOYSA-N 1 0 383.286 2.634 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ccc(Cl)c(Br)c2)CC[N@@H+]1C ZINC000532297192 564934230 /nfs/dbraw/zinc/93/42/30/564934230.db2.gz GGOCWDBLCHWQIA-KOLCDFICSA-N 1 0 388.693 2.640 20 0 GFADRO CCC[NH+]1CCN(c2ccccc2CNCc2n[nH]cc2Br)CC1 ZINC000532295732 564934352 /nfs/dbraw/zinc/93/43/52/564934352.db2.gz AMLLRCHSGBHQHO-UHFFFAOYSA-N 1 0 392.345 2.994 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)NCc1cnn(CC(F)(F)F)c1)c1cccs1 ZINC000532425834 564937980 /nfs/dbraw/zinc/93/79/80/564937980.db2.gz IXUVPALUIMDGBI-LBPRGKRZSA-N 1 0 375.420 2.609 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)C(=O)NC[C@@H](C)[NH+]1CCCC1 ZINC000532439249 564938172 /nfs/dbraw/zinc/93/81/72/564938172.db2.gz KDIITNPOMCLLKV-GFCCVEGCSA-N 1 0 382.302 2.551 20 0 GFADRO Cc1c2cc(Br)ccc2sc1C(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000499899621 564939493 /nfs/dbraw/zinc/93/94/93/564939493.db2.gz WYBIFUDTCWSSGN-INIZCTEOSA-N 1 0 383.311 2.769 20 0 GFADRO CN(CCC[NH+]1CCCC1)[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000499949389 564941233 /nfs/dbraw/zinc/94/12/33/564941233.db2.gz DDPLJYFBKKZWPH-QGZVFWFLSA-N 1 0 380.330 2.972 20 0 GFADRO Cc1cc(Br)oc1C(=O)N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000499965641 564942004 /nfs/dbraw/zinc/94/20/04/564942004.db2.gz UQAMZGCGGKAJKF-GJZGRUSLSA-N 1 0 398.345 2.981 20 0 GFADRO CN(C(=O)c1cccc(F)c1I)[C@@H]1C[NH+]2CCC1CC2 ZINC000532754265 564943946 /nfs/dbraw/zinc/94/39/46/564943946.db2.gz ITNULKVQIGUYTM-CYBMUJFWSA-N 1 0 388.224 2.597 20 0 GFADRO Ic1cccc(C[NH2+]CCCOC[C@H]2CCOC2)c1 ZINC000560050141 564946974 /nfs/dbraw/zinc/94/69/74/564946974.db2.gz ANAFFSKJADQRBY-CQSZACIVSA-N 1 0 375.250 2.824 20 0 GFADRO Cc1ncc(S(=O)(=O)N(C)c2ccc(OCC[NH+]3CCCC3)cc2)s1 ZINC000532854511 564947373 /nfs/dbraw/zinc/94/73/73/564947373.db2.gz KNEWKYVKZAVZHV-UHFFFAOYSA-N 1 0 381.523 2.751 20 0 GFADRO CC(C)n1cc(CNCC(=O)Nc2ccc(I)cc2)cn1 ZINC000560078350 564948643 /nfs/dbraw/zinc/94/86/43/564948643.db2.gz VXLVOPRVLUODLT-UHFFFAOYSA-N 1 0 398.248 2.797 20 0 GFADRO CC[NH+](CC)CCOC1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000466892074 564949288 /nfs/dbraw/zinc/94/92/88/564949288.db2.gz ONKKKNLZLHONBX-UHFFFAOYSA-N 1 0 380.963 2.913 20 0 GFADRO CCCCC[N@H+](CCO)CC(=O)Nc1ccc(I)cc1 ZINC000532975072 564950733 /nfs/dbraw/zinc/95/07/33/564950733.db2.gz ATOLQGVCDKIHDX-UHFFFAOYSA-N 1 0 390.265 2.714 20 0 GFADRO COc1ccc(C[NH2+][C@H]2CCO[C@@H](c3nccn3C)C2)c(Br)c1O ZINC000560127756 564950876 /nfs/dbraw/zinc/95/08/76/564950876.db2.gz WSBNKQDHLWXAKX-GXTWGEPZSA-N 1 0 396.285 2.907 20 0 GFADRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1cc(=O)[nH]c2ccc(Br)cc21 ZINC000467035353 564953449 /nfs/dbraw/zinc/95/34/49/564953449.db2.gz RDMMUQVPWOSQRD-QFYYESIMSA-N 1 0 390.281 2.915 20 0 GFADRO CS(=O)(=O)NC[C@H]1CCC[C@H]1[NH2+]Cc1cc(Br)ccc1Cl ZINC000500464488 564954028 /nfs/dbraw/zinc/95/40/28/564954028.db2.gz SPMSZAPHNCYYST-QMTHXVAHSA-N 1 0 395.750 2.910 20 0 GFADRO CS(=O)(=O)NC[C@@H]1CCC[C@@H]1[NH2+]Cc1csc(-c2ccc(F)cc2)n1 ZINC000500473377 564955173 /nfs/dbraw/zinc/95/51/73/564955173.db2.gz AZLYGXRQRAMDCV-BBRMVZONSA-N 1 0 383.514 2.757 20 0 GFADRO C[NH+](C)C1(CNC(=O)C(=O)NCCCc2ccc(Cl)cc2Cl)CCC1 ZINC000500470499 564955506 /nfs/dbraw/zinc/95/55/06/564955506.db2.gz RSIXSKMZISQGOD-UHFFFAOYSA-N 1 0 386.323 2.643 20 0 GFADRO Cc1cc(Br)ccc1C[NH2+][C@H]1CCC[C@H]1CNS(C)(=O)=O ZINC000500542781 564956707 /nfs/dbraw/zinc/95/67/07/564956707.db2.gz ASBDKVRNDIQNNE-ZFWWWQNUSA-N 1 0 375.332 2.565 20 0 GFADRO C[C@@H]1CC[N@H+](CCNC(=O)c2cc(I)c(F)cc2F)C1 ZINC000533405161 564962186 /nfs/dbraw/zinc/96/21/86/564962186.db2.gz VQBWKBFEGSORTJ-SECBINFHSA-N 1 0 394.203 2.641 20 0 GFADRO CS(=O)(=O)[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(Cl)ccc1N1CCOCC1 ZINC000467413422 564962577 /nfs/dbraw/zinc/96/25/77/564962577.db2.gz XJHMWIHLCPJKQN-SJLPKXTDSA-N 1 0 386.945 2.622 20 0 GFADRO COCCNC(=O)[C@H](Cc1ccccc1)[NH2+]Cc1cc(Br)cs1 ZINC000533562850 564966092 /nfs/dbraw/zinc/96/60/92/564966092.db2.gz XTDMSVZUMLCGRA-INIZCTEOSA-N 1 0 397.338 2.974 20 0 GFADRO C[C@@H](Cc1ccc(O)cc1)[NH2+][C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000560525807 564966338 /nfs/dbraw/zinc/96/63/38/564966338.db2.gz YVNJTLJTKMCODI-GOEBONIOSA-N 1 0 380.535 2.828 20 0 GFADRO CC[C@H](Cc1cccc(Br)c1)C(=O)NC1(CCO)CC[NH+](C)CC1 ZINC000467536687 564966481 /nfs/dbraw/zinc/96/64/81/564966481.db2.gz SNDMMCMOVGEIRN-MRXNPFEDSA-N 1 0 397.357 2.981 20 0 GFADRO CCOc1c(Cl)cc(NC(=O)C(=O)NC[C@@H](C)[N@H+](C)C2CC2)cc1Cl ZINC000467616993 564967983 /nfs/dbraw/zinc/96/79/83/564967983.db2.gz DHJFVCYMWJDBPX-SNVBAGLBSA-N 1 0 388.295 2.930 20 0 GFADRO CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N[C@@H](C)c1ccc(Br)cc1 ZINC000560671245 564971376 /nfs/dbraw/zinc/97/13/76/564971376.db2.gz NARSECRYTJNURF-BBRMVZONSA-N 1 0 396.329 2.617 20 0 GFADRO Cc1ccc(O[C@@H](C)C(=O)NCCNc2cc[nH+]cc2)c(Br)c1 ZINC000533810944 564973180 /nfs/dbraw/zinc/97/31/80/564973180.db2.gz PVGGFFXSRPGQBB-ZDUSSCGKSA-N 1 0 378.270 2.570 20 0 GFADRO COCC[C@H](NC(=O)[C@H]1C[N@@H+]2CCN1CCC2)c1ccc(Cl)c(Cl)c1 ZINC000560797009 564976967 /nfs/dbraw/zinc/97/69/67/564976967.db2.gz JCAQWYPVTFGZPC-DLBZAZTESA-N 1 0 386.323 2.577 20 0 GFADRO O=C(C1CC1)N1CCC([NH2+]C[C@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000560839659 564977649 /nfs/dbraw/zinc/97/76/49/564977649.db2.gz GMYYMTQGVOZMJQ-HNNXBMFYSA-N 1 0 387.307 2.724 20 0 GFADRO CC[C@@H](C(=O)N[C@@H]1CCCN(c2ccc(Br)c(C)c2)C1=O)[NH+](C)C ZINC000468141668 564978388 /nfs/dbraw/zinc/97/83/88/564978388.db2.gz IDNRIOQLMVLZGJ-CVEARBPZSA-N 1 0 396.329 2.709 20 0 GFADRO CN(C)S(=O)(=O)N1CCC[C@@H]([NH2+][C@H]2CC[C@@H](c3cccc(Cl)c3)C2)C1 ZINC000560897039 564979452 /nfs/dbraw/zinc/97/94/52/564979452.db2.gz SEODJVBVTARGNP-BPQIPLTHSA-N 1 0 385.961 2.837 20 0 GFADRO O=C(NC[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1)c1csc(Br)c1 ZINC000534103891 564979564 /nfs/dbraw/zinc/97/95/64/564979564.db2.gz MAUQERPSDZADBI-LSDHHAIUSA-N 1 0 395.322 2.876 20 0 GFADRO CS[C@H]1CN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)C[C@H]1[NH+](C)C ZINC000534172434 564981145 /nfs/dbraw/zinc/98/11/45/564981145.db2.gz ZIXMBCCYUFSLRA-KGLIPLIRSA-N 1 0 383.366 2.801 20 0 GFADRO [NH3+]C[C@H]1CCCN(C(=O)Nc2ccnn2Cc2ccccc2Br)C1 ZINC000561015413 564981203 /nfs/dbraw/zinc/98/12/03/564981203.db2.gz SVPJOUQPQKJZDB-CYBMUJFWSA-N 1 0 392.301 2.897 20 0 GFADRO C[NH+](C)C1(CNC(=O)NCc2ccc(S(C)(=O)=O)s2)CCCCCC1 ZINC000468430432 564983498 /nfs/dbraw/zinc/98/34/98/564983498.db2.gz XZZPCCQXLNCQCC-UHFFFAOYSA-N 1 0 387.571 2.605 20 0 GFADRO C[N@H+](CC(=O)NCCNc1ncc(C(F)(F)F)cc1Cl)[C@H]1CCSC1 ZINC000534268901 564983867 /nfs/dbraw/zinc/98/38/67/564983867.db2.gz WBJJJTDCOMSTJE-NSHDSACASA-N 1 0 396.866 2.719 20 0 GFADRO CNC(=O)[C@H]1CCC[C@@H]1[NH2+]Cc1nc(-c2cccc(Br)c2)c[nH]1 ZINC000534286431 564984398 /nfs/dbraw/zinc/98/43/98/564984398.db2.gz DGQWLBRLQMRHGC-KBPBESRZSA-N 1 0 377.286 2.844 20 0 GFADRO Cc1c(Br)ccc(C(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)c1F ZINC000468511584 564985093 /nfs/dbraw/zinc/98/50/93/564985093.db2.gz SKOGHJPTKLXRAJ-ZDUSSCGKSA-N 1 0 387.293 2.983 20 0 GFADRO Cc1nc(-c2ccc(CCNC(=O)N3CC[C@H]4C[NH2+]C[C@H]4C3)s2)cs1 ZINC000561146536 564985488 /nfs/dbraw/zinc/98/54/88/564985488.db2.gz HASDWFSHHCDFSN-KBPBESRZSA-N 1 0 376.551 2.973 20 0 GFADRO OC[C@H]([NH2+]Cc1ccc(-n2cncn2)c(F)c1)c1ccc(Br)cc1 ZINC000534316705 564985460 /nfs/dbraw/zinc/98/54/60/564985460.db2.gz DYPGZVKHTBWUDW-INIZCTEOSA-N 1 0 391.244 2.992 20 0 GFADRO CC[NH+]1CCN([C@@H]2CCN(c3c(Cl)cc(Cl)cc3C(=O)OC)C2)CC1 ZINC000561209428 564987559 /nfs/dbraw/zinc/98/75/59/564987559.db2.gz CYQHTKKCKRQZFU-CQSZACIVSA-N 1 0 386.323 2.996 20 0 GFADRO CN(C(=O)c1cn(-c2ccc(Br)cc2)cn1)[C@@H]1C[NH+]2CCC1CC2 ZINC000534419676 564988180 /nfs/dbraw/zinc/98/81/80/564988180.db2.gz XYFNIBBGJVWAHH-QGZVFWFLSA-N 1 0 389.297 2.801 20 0 GFADRO C[C@H](O)C[N@@H+]1CCN(Cc2nnc(-c3c(Cl)cccc3Cl)o2)[C@@H](C)C1 ZINC000501947856 564988858 /nfs/dbraw/zinc/98/88/58/564988858.db2.gz PFOPLUCFUKIQFZ-RYUDHWBXSA-N 1 0 385.295 2.930 20 0 GFADRO C[C@@H](CNC(=O)c1cn(-c2ccc(Br)cc2)cn1)[NH+]1CCCC1 ZINC000534429746 564989228 /nfs/dbraw/zinc/98/92/28/564989228.db2.gz GTBWCPBBRWMTRN-ZDUSSCGKSA-N 1 0 377.286 2.849 20 0 GFADRO Cc1nn(C(C)(C)C)c(C)c1C[NH2+]CCN(C)S(=O)(=O)c1cccs1 ZINC000534467766 564989698 /nfs/dbraw/zinc/98/96/98/564989698.db2.gz OICCTTOIOLYAQU-UHFFFAOYSA-N 1 0 384.571 2.727 20 0 GFADRO C[C@@H](C[NH2+]Cc1cn(-c2ccc(Cl)cc2Cl)nn1)CN1CCOCC1 ZINC000534467401 564990060 /nfs/dbraw/zinc/99/00/60/564990060.db2.gz IJWQIFVZPLJOSM-ZDUSSCGKSA-N 1 0 384.311 2.632 20 0 GFADRO NC(=O)[C@H]([NH2+]C1CCN(c2nccs2)CC1)c1ccc(Br)cc1 ZINC000502054621 564991163 /nfs/dbraw/zinc/99/11/63/564991163.db2.gz CVNIMRVKVCEDLO-CQSZACIVSA-N 1 0 395.326 2.691 20 0 GFADRO C[N@H+](CC(=O)N1CCO[C@H](c2ccc(Br)cc2)C1)[C@H]1CCSC1 ZINC000534593722 564992277 /nfs/dbraw/zinc/99/22/77/564992277.db2.gz UZIVEWYKFKUUBF-HOTGVXAUSA-N 1 0 399.354 2.786 20 0 GFADRO CCCC[N@H+](C)C[C@@H](C)NS(=O)(=O)c1cc2c(cc1Cl)CCC(=O)N2 ZINC000561396532 564993923 /nfs/dbraw/zinc/99/39/23/564993923.db2.gz OKOLELGTEREGSM-GFCCVEGCSA-N 1 0 387.933 2.623 20 0 GFADRO C[C@H](NC(=O)C(=O)N1CC[C@H]2CC[N@H+](C)C[C@H]21)c1cccc(Cl)c1Cl ZINC000502308126 564995637 /nfs/dbraw/zinc/99/56/37/564995637.db2.gz YNDNSOGLMANPMW-YWPYICTPSA-N 1 0 384.307 2.723 20 0 GFADRO CO[C@H](CC[NH2+][C@@H](C)c1cccc(N2CCCS2(=O)=O)c1)C(F)(F)F ZINC000468873943 564997044 /nfs/dbraw/zinc/99/70/44/564997044.db2.gz FIDXOMFUPNAONR-SWLSCSKDSA-N 1 0 380.432 2.845 20 0 GFADRO CS[C@@H]1CN(S(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)C[C@@H]1[NH+](C)C ZINC000534907911 565000019 /nfs/dbraw/zinc/00/00/19/565000019.db2.gz QTXJLSRIYBRVMU-QWHCGFSZSA-N 1 0 386.436 2.511 20 0 GFADRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)[C@H](C)Oc3ccccc3Br)[C@H]2C1 ZINC000502659899 565002801 /nfs/dbraw/zinc/00/28/01/565002801.db2.gz BMJUZKLWXANYMF-JLJPHGGASA-N 1 0 397.313 2.538 20 0 GFADRO CC[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000561608732 565003690 /nfs/dbraw/zinc/00/36/90/565003690.db2.gz HYNOCJUVTVXSAB-LSDHHAIUSA-N 1 0 386.323 2.593 20 0 GFADRO CC[N@H+](CCNS(=O)(=O)c1cc(Cl)ccc1O[C@@H](C)COC)C1CC1 ZINC000469058317 565004228 /nfs/dbraw/zinc/00/42/28/565004228.db2.gz PZIFHQMCVRSNIS-ZDUSSCGKSA-N 1 0 390.933 2.516 20 0 GFADRO C[C@H]1CC[N@H+](C)CCN1C(=O)N[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000502769139 565004609 /nfs/dbraw/zinc/00/46/09/565004609.db2.gz XNKSPLMJJYQGQE-HOCLYGCPSA-N 1 0 395.345 2.763 20 0 GFADRO CC(C)(C[NH2+]Cc1cn(-c2cccc(Cl)c2Cl)nn1)N1CCOCC1 ZINC000535087577 565004769 /nfs/dbraw/zinc/00/47/69/565004769.db2.gz LDLNINATJNZTBG-UHFFFAOYSA-N 1 0 384.311 2.775 20 0 GFADRO O[C@H](COc1ccc(Br)cc1)C[N@@H+]1CC[C@H](C2CCOCC2)C1 ZINC000535117613 565004879 /nfs/dbraw/zinc/00/48/79/565004879.db2.gz UHAYTMCYVPJSSX-RDJZCZTQSA-N 1 0 384.314 2.937 20 0 GFADRO CNC(=O)[C@H]1CCC[C@H]1[NH2+]CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000502853930 565007817 /nfs/dbraw/zinc/00/78/17/565007817.db2.gz BOQVUEHXHAFAOX-GXFFZTMASA-N 1 0 377.794 2.802 20 0 GFADRO COc1cccc(N2CC[C@@H]([NH2+][C@@H](C)Cn3cc(Br)cn3)C2)c1 ZINC000469181216 565008412 /nfs/dbraw/zinc/00/84/12/565008412.db2.gz YTJROLPCZSRSEQ-DZGCQCFKSA-N 1 0 379.302 2.911 20 0 GFADRO CN(C)S(=O)(=O)N1CCCC[C@@H]1C[NH2+]C1CC(c2ccc(Cl)cc2)C1 ZINC000561783486 565009879 /nfs/dbraw/zinc/00/98/79/565009879.db2.gz CZPSJOBHJRBNCB-VMWRSERWSA-N 1 0 385.961 2.837 20 0 GFADRO C[N@H+](CC(=O)NCCc1ccc(F)c(Br)c1)[C@H]1CCSC1 ZINC000535317427 565010399 /nfs/dbraw/zinc/01/03/99/565010399.db2.gz DTDZHYCWPDIFKJ-LBPRGKRZSA-N 1 0 375.307 2.684 20 0 GFADRO CC(=O)NCC[C@H]1CCC[N@H+](CC(=O)Nc2ccc(Br)c(C)c2)C1 ZINC000561930876 565013591 /nfs/dbraw/zinc/01/35/91/565013591.db2.gz IMJJVBLWAHTKJJ-OAHLLOKOSA-N 1 0 396.329 2.934 20 0 GFADRO CS[C@H]1CN(S(=O)(=O)Cc2cc(Cl)cc(Cl)c2)C[C@@H]1[NH+](C)C ZINC000503223653 565014730 /nfs/dbraw/zinc/01/47/30/565014730.db2.gz ODGDKMUQJFYYDA-KBPBESRZSA-N 1 0 383.366 2.801 20 0 GFADRO CS[C@H]1CN(C(=O)c2cnn(-c3ccccc3Cl)c2C)C[C@@H]1[NH+](C)C ZINC000535541748 565015422 /nfs/dbraw/zinc/01/54/22/565015422.db2.gz HOIMNMOOHCPLBZ-IRXDYDNUSA-N 1 0 378.929 2.952 20 0 GFADRO CS[C@H]1CN(CC(=O)Nc2ccc(Br)c(C)c2)C[C@H]1[NH+](C)C ZINC000535666295 565018021 /nfs/dbraw/zinc/01/80/21/565018021.db2.gz RFIIATDGOKVIOV-CABCVRRESA-N 1 0 386.359 2.673 20 0 GFADRO CC[NH+](CC)[C@H]1CCN(C(=O)[C@@H]2CC(=O)Nc3ccc(Br)cc32)C1 ZINC000469502077 565019646 /nfs/dbraw/zinc/01/96/46/565019646.db2.gz SRGJCRQMRIYMDO-DZGCQCFKSA-N 1 0 394.313 2.818 20 0 GFADRO C[C@H]1CCCC[N@@H+]1CCCNC(=O)NCCCn1cc(Br)cn1 ZINC000562218873 565020019 /nfs/dbraw/zinc/02/00/19/565020019.db2.gz WMAMZEJXYUIDHP-AWEZNQCLSA-N 1 0 386.338 2.599 20 0 GFADRO CCS[C@H]1CCC[C@H]1[NH2+]CC(=O)NCC(=O)Nc1cccc(Cl)c1C ZINC000503523575 565022429 /nfs/dbraw/zinc/02/24/29/565022429.db2.gz QVEAYHVQYLMNOQ-CVEARBPZSA-N 1 0 383.945 2.967 20 0 GFADRO Cc1[nH]c(=O)c(Br)cc1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000503673511 565025731 /nfs/dbraw/zinc/02/57/31/565025731.db2.gz ZIZKYZDDQIGLEX-CQSZACIVSA-N 1 0 390.281 2.862 20 0 GFADRO CC[C@@H](C[N@H+](C)CCC(=O)NC(=O)NC)Oc1ccc(Cl)c(Cl)c1 ZINC000469746891 565026262 /nfs/dbraw/zinc/02/62/62/565026262.db2.gz ZXJJGYXTNVDORH-NSHDSACASA-N 1 0 376.284 2.928 20 0 GFADRO C[C@H](Cc1ccc(Br)cc1)NC(=O)NCCNc1cc[nH+]cc1 ZINC000536018475 565027465 /nfs/dbraw/zinc/02/74/65/565027465.db2.gz OZCFUNINKDCXCF-CYBMUJFWSA-N 1 0 377.286 2.608 20 0 GFADRO CO[C@H]1CCN(Cc2cnn(-c3ccc(Br)cc3)c2)[C@@H](C[NH3+])C1 ZINC000469872827 565030465 /nfs/dbraw/zinc/03/04/65/565030465.db2.gz CTHMJQHZLXSMCS-SJORKVTESA-N 1 0 379.302 2.573 20 0 GFADRO [NH3+]CCCOC1CCN(Cc2cc(Br)c3c(c2)OCCO3)CC1 ZINC000469861221 565030516 /nfs/dbraw/zinc/03/05/16/565030516.db2.gz ITDZBTWQTADUAN-UHFFFAOYSA-N 1 0 385.302 2.550 20 0 GFADRO COc1cc(Cl)c(S(=O)(=O)NC[C@H](C)[N@@H+]2CCCC[C@@H]2C)cc1OC ZINC000562502903 565031377 /nfs/dbraw/zinc/03/13/77/565031377.db2.gz DWAOTOQKUABJHR-STQMWFEESA-N 1 0 390.933 2.898 20 0 GFADRO O=C(c1cncc(Br)c1)N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000469914230 565031796 /nfs/dbraw/zinc/03/17/96/565031796.db2.gz IXMCOQWRCWMEFH-INIZCTEOSA-N 1 0 382.302 2.561 20 0 GFADRO COC(=O)[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2ccc(Br)c(C)c2)[C@H]1C ZINC000469996651 565034487 /nfs/dbraw/zinc/03/44/87/565034487.db2.gz PPDCKUDCWYGJMU-OUCADQQQSA-N 1 0 383.286 2.968 20 0 GFADRO C[C@H](CO)[N@@H+]1CCCN(C(=O)[C@H](C)Oc2ccc(Cl)c(Cl)c2)CC1 ZINC000470049626 565036603 /nfs/dbraw/zinc/03/66/03/565036603.db2.gz GGNHBIVEIFSCLD-OLZOCXBDSA-N 1 0 375.296 2.676 20 0 GFADRO CCn1ccnc1C[NH2+]C[C@@H](CO)Cc1ccc(OC)c(Br)c1 ZINC000562670312 565038522 /nfs/dbraw/zinc/03/85/22/565038522.db2.gz NDLSPAONNKPWMB-AWEZNQCLSA-N 1 0 382.302 2.615 20 0 GFADRO C[C@H](CO)[N@@H+]1CCCN(Cc2ccc(OC(F)F)c(Br)c2)CC1 ZINC000470130522 565038775 /nfs/dbraw/zinc/03/87/75/565038775.db2.gz COENDEJXGLFZBT-GFCCVEGCSA-N 1 0 393.272 2.939 20 0 GFADRO CCC(CC)(C[NH2+]Cc1cc(=O)n2cc(Br)ccc2n1)C(=O)OC ZINC000536535691 565039984 /nfs/dbraw/zinc/03/99/84/565039984.db2.gz RYVVAUNVKNHFCL-UHFFFAOYSA-N 1 0 396.285 2.526 20 0 GFADRO C[C@H](Cn1cc(Br)cn1)[NH2+][C@H](Cc1ccccc1)[C@@H](O)C(F)F ZINC000470256366 565042341 /nfs/dbraw/zinc/04/23/41/565042341.db2.gz URLGXAWQVGEVGG-KCPJHIHWSA-N 1 0 388.256 2.861 20 0 GFADRO CS[C@@H]1CN(c2ncc(C(=O)N3CCCCC3)cc2Cl)C[C@@H]1[NH+](C)C ZINC000536629263 565043152 /nfs/dbraw/zinc/04/31/52/565043152.db2.gz WHJXJGFWCCMTHN-JKSUJKDBSA-N 1 0 382.961 2.843 20 0 GFADRO COc1c(Cl)cc(NC(=O)N2CCC[N@@H+]([C@@H](C)CO)CC2)cc1Cl ZINC000470354986 565043725 /nfs/dbraw/zinc/04/37/25/565043725.db2.gz MWZVLDYUKRNSJM-NSHDSACASA-N 1 0 376.284 2.922 20 0 GFADRO COc1ccc(CC[NH2+]C[C@@H](C)c2cccc(Cl)c2)cc1S(N)(=O)=O ZINC000470354925 565043771 /nfs/dbraw/zinc/04/37/71/565043771.db2.gz MLSNZYGNEUBJED-CYBMUJFWSA-N 1 0 382.913 2.932 20 0 GFADRO O=C(NCCC1=CC[NH2+]CC1)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000562816276 565043994 /nfs/dbraw/zinc/04/39/94/565043994.db2.gz KSEBIUMSLFWUNC-UHFFFAOYSA-N 1 0 384.311 2.530 20 0 GFADRO C[C@H](CNC(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)Oc1ccc(Br)cc1 ZINC000562804386 565044034 /nfs/dbraw/zinc/04/40/34/565044034.db2.gz CVCFZYXNOIMSHX-IXYNUQLISA-N 1 0 396.329 2.904 20 0 GFADRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N(CCO)Cc1ccc(Cl)c(Cl)c1 ZINC000504830183 565045205 /nfs/dbraw/zinc/04/52/05/565045205.db2.gz FIPNVZQPXVHQTP-SJKOYZFVSA-N 1 0 386.323 2.980 20 0 GFADRO CCN(CCC[NH+](C)C)C(=O)Nc1ccc(S(C)(=O)=O)c(C(F)F)c1 ZINC000470421029 565045574 /nfs/dbraw/zinc/04/55/74/565045574.db2.gz XRWZJBXOWPWMPR-UHFFFAOYSA-N 1 0 377.457 2.833 20 0 GFADRO CS[C@H]1CN(C(=O)CCOCC(F)(F)C(F)(F)F)C[C@@H]1[NH+]1CCCC1 ZINC000504873336 565045789 /nfs/dbraw/zinc/04/57/89/565045789.db2.gz SBGCZCPPVFHLLO-RYUDHWBXSA-N 1 0 390.418 2.629 20 0 GFADRO C[C@@H](CNc1cc(-n2cccn2)nc(N)[nH+]1)Oc1cccc(Br)c1 ZINC000536767554 565046800 /nfs/dbraw/zinc/04/68/00/565046800.db2.gz OMURWLPIMFYALO-NSHDSACASA-N 1 0 389.257 2.886 20 0 GFADRO Cc1ccccc1[C@@H]([C@H](C)NC(=O)c1nn(C)cc1Br)[NH+](C)C ZINC000504991714 565048092 /nfs/dbraw/zinc/04/80/92/565048092.db2.gz NUWKHJGFLAIJFP-BLLLJJGKSA-N 1 0 379.302 2.912 20 0 GFADRO Cc1cc(N2CC[C@H]([NH2+]C[C@H](O)CC(F)(F)F)C2=O)ccc1Br ZINC000563013681 565051994 /nfs/dbraw/zinc/05/19/94/565051994.db2.gz LDYGWUCCTWEVRD-YPMHNXCESA-N 1 0 395.219 2.766 20 0 GFADRO C[C@@H](CNS(=O)(=O)Cc1ccc(Br)cc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000470753484 565054786 /nfs/dbraw/zinc/05/47/86/565054786.db2.gz BSUYVVZGNSXCHM-KGLIPLIRSA-N 1 0 389.359 2.989 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)c2c(F)cc(Br)cc2F)CC12CCOCC2 ZINC000563115565 565055892 /nfs/dbraw/zinc/05/58/92/565055892.db2.gz WSKAJVNMBHNJII-SNVBAGLBSA-N 1 0 389.240 2.555 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)CCc2cccc(Br)c2)CC12CCOCC2 ZINC000563115728 565056005 /nfs/dbraw/zinc/05/60/05/565056005.db2.gz KNKNMGAZLBEZCS-HNNXBMFYSA-N 1 0 381.314 2.596 20 0 GFADRO CC[C@H]([NH2+]CCCN1CCC[C@H]1C(N)=O)c1cc(F)cc(Br)c1 ZINC000537288510 565056224 /nfs/dbraw/zinc/05/62/24/565056224.db2.gz FGRIFJBSYOGQEW-HOTGVXAUSA-N 1 0 386.309 2.969 20 0 GFADRO C[NH2+]C[C@H]1CCCN1S(=O)(=O)c1ccc2ccccc2c1Br ZINC000563121428 565056296 /nfs/dbraw/zinc/05/62/96/565056296.db2.gz ICZIBYBIQVLXDC-CYBMUJFWSA-N 1 0 383.311 2.975 20 0 GFADRO CS[C@@H]1CN([C@H](C)C(=O)Nc2nc3ccc(F)cc3s2)C[C@@H]1[NH+](C)C ZINC000537291293 565056920 /nfs/dbraw/zinc/05/69/20/565056920.db2.gz WUDOLQVHVNVCMF-RIEGTJTDSA-N 1 0 382.530 2.740 20 0 GFADRO CCC(CC)(NC(=O)CNC(=O)[C@H]1CCC[NH2+]1)c1ccc(Cl)c(Cl)c1 ZINC000563157636 565057614 /nfs/dbraw/zinc/05/76/14/565057614.db2.gz QLYXLWYGSCEZLG-OAHLLOKOSA-N 1 0 386.323 2.993 20 0 GFADRO C[C@@H](C[NH+]1CCOCC1)C(=O)NCCOCc1ccc(Cl)cc1Cl ZINC000537393308 565057881 /nfs/dbraw/zinc/05/78/81/565057881.db2.gz CFPHGKLCBASZOU-ZDUSSCGKSA-N 1 0 375.296 2.595 20 0 GFADRO COCC[N@H+](CCO)Cc1cc(Br)c(OC)c(Br)c1 ZINC000537635984 565060413 /nfs/dbraw/zinc/06/04/13/565060413.db2.gz OSOSJPFJUYHEPY-UHFFFAOYSA-N 1 0 397.107 2.661 20 0 GFADRO O=C1C[C@]2(CN1)CCC[N@@H+](Cc1cnn(-c3ccc(Br)cc3)c1)C2 ZINC000537616856 565060433 /nfs/dbraw/zinc/06/04/33/565060433.db2.gz XNSRCQDAJPLGNZ-SFHVURJKSA-N 1 0 389.297 2.737 20 0 GFADRO O=C(C1=Cc2cc(Br)ccc2OC1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000584345624 565076567 /nfs/dbraw/zinc/07/65/67/565076567.db2.gz HLHINZZKHHVTCV-GOSISDBHSA-N 1 0 377.282 2.827 20 0 GFADRO C[C@@H](NC[C@H](O)C[N@H+](C)Cc1ccccc1)c1ccc(Br)cn1 ZINC000684622352 565076735 /nfs/dbraw/zinc/07/67/35/565076735.db2.gz PYQVSSMHJUQJSG-PBHICJAKSA-N 1 0 378.314 2.988 20 0 GFADRO CSc1ccc(OC[C@H](O)C[NH2+]Cc2ccc(C[S@@](C)=O)cc2)cc1 ZINC000584347070 565076785 /nfs/dbraw/zinc/07/67/85/565076785.db2.gz YUVMILDTOSTBNJ-CRICUBBOSA-N 1 0 379.547 2.817 20 0 GFADRO COCCOCC[N@H+](C)CCC(=O)Nc1cc(Br)c(F)cc1F ZINC000635852656 565077787 /nfs/dbraw/zinc/07/77/87/565077787.db2.gz ZNWHVUODSVWTRN-UHFFFAOYSA-N 1 0 395.244 2.651 20 0 GFADRO C[C@H](C[C@@H]1CCOC1)[NH2+][C@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000684676560 565079154 /nfs/dbraw/zinc/07/91/54/565079154.db2.gz BUVBFOHRFDPDML-UTUOFQBUSA-N 1 0 391.331 2.562 20 0 GFADRO O=S(=O)(N[C@H]1CC[N@@H+](C2CCCCC2)C1)c1ccc(C(F)(F)F)nc1 ZINC000657161380 565081032 /nfs/dbraw/zinc/08/10/32/565081032.db2.gz OWOQXQMXASUHQV-LBPRGKRZSA-N 1 0 377.432 2.786 20 0 GFADRO O=C(CC[NH2+][C@@H]1CC(=O)N2CCCC[C@@H]12)Nc1cccc(Br)c1 ZINC000584465384 565081989 /nfs/dbraw/zinc/08/19/89/565081989.db2.gz GCSNGRBGQVNRRR-CABCVRRESA-N 1 0 380.286 2.521 20 0 GFADRO Fc1ccc(Br)c2c1CC[C@@H]2NCc1nnc(C2CC[NH2+]CC2)[nH]1 ZINC000584524452 565085261 /nfs/dbraw/zinc/08/52/61/565085261.db2.gz FWRPZQWXMHEZCH-AWEZNQCLSA-N 1 0 394.292 2.950 20 0 GFADRO O[C@@H](C[NH2+][C@H]1CCN(C2CCCC2)C1)COc1cccc(Br)c1 ZINC000584524801 565085764 /nfs/dbraw/zinc/08/57/64/565085764.db2.gz JJSUOUYUBFHHQR-RDJZCZTQSA-N 1 0 383.330 2.795 20 0 GFADRO CCc1ccc(-c2csc(NC(=O)C(=O)NC[C@H](C)C[NH+](C)C)n2)s1 ZINC000584534299 565087016 /nfs/dbraw/zinc/08/70/16/565087016.db2.gz KAMZFNYBLPXRIS-NSHDSACASA-N 1 0 380.539 2.686 20 0 GFADRO C[NH+](C)CC1(C(=O)NC2CCN(Cc3cccc(Br)c3)CC2)CC1 ZINC000636035732 565087035 /nfs/dbraw/zinc/08/70/35/565087035.db2.gz UXDFKHPLGBNGDF-UHFFFAOYSA-N 1 0 394.357 2.872 20 0 GFADRO C[N@H+]1CC=C(CNS(=O)(=O)Cc2cc(Cl)ccc2Br)CC1 ZINC000584587845 565089360 /nfs/dbraw/zinc/08/93/60/565089360.db2.gz GFCGDZSWYWXYHV-UHFFFAOYSA-N 1 0 393.734 2.784 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C(=O)N1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000584589765 565089428 /nfs/dbraw/zinc/08/94/28/565089428.db2.gz PKYNSQRJANOTKE-YPMHNXCESA-N 1 0 377.286 2.753 20 0 GFADRO CC[C@H](C)[C@@H](O)C[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000584598842 565090527 /nfs/dbraw/zinc/09/05/27/565090527.db2.gz NLIXFUKRUXVYIW-SUHUHFCYSA-N 1 0 380.710 2.839 20 0 GFADRO C[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCO[C@H]2c2cncc(Br)c2)CC1 ZINC000614011455 565090648 /nfs/dbraw/zinc/09/06/48/565090648.db2.gz PWIRRHLHBKJRFO-ZACQAIPSSA-N 1 0 396.329 2.864 20 0 GFADRO C[C@@H]1C[N@H+](CCCNC(=O)Cc2ccc(Br)cc2F)CCCO1 ZINC000614016997 565091097 /nfs/dbraw/zinc/09/10/97/565091097.db2.gz DWSSYULCGWFFFQ-CYBMUJFWSA-N 1 0 387.293 2.748 20 0 GFADRO C[C@H](Nc1cnc(N2CCOCC2)c(Br)c1)C1CC[NH+](C)CC1 ZINC000684964008 565091338 /nfs/dbraw/zinc/09/13/38/565091338.db2.gz BSMUZEDJSSKVKF-ZDUSSCGKSA-N 1 0 383.334 2.823 20 0 GFADRO Cc1nc2ccc(Br)cn2c1C(=O)N[C@H]1C[C@@H]([NH+]2CCCC2)C1 ZINC000636110484 565091720 /nfs/dbraw/zinc/09/17/20/565091720.db2.gz AMSUXMJXMBPTLI-OKILXGFUSA-N 1 0 377.286 2.762 20 0 GFADRO COC(=O)CCCCC[NH2+]Cc1cn(-c2ccccc2Br)nn1 ZINC000584751743 565094646 /nfs/dbraw/zinc/09/46/46/565094646.db2.gz GEQWSFIKTGINEX-UHFFFAOYSA-N 1 0 381.274 2.853 20 0 GFADRO CCNC(=O)COc1cccc(C[NH2+]Cc2cncc(Br)c2C)c1 ZINC000657316809 565096486 /nfs/dbraw/zinc/09/64/86/565096486.db2.gz LHFKTHKDPBZFQK-UHFFFAOYSA-N 1 0 392.297 2.957 20 0 GFADRO O=C(NCCC[NH2+]Cc1cnc2n1CCC2)c1cccc(Br)c1 ZINC000657341510 565097649 /nfs/dbraw/zinc/09/76/49/565097649.db2.gz CMBMIJCSURDFCO-UHFFFAOYSA-N 1 0 377.286 2.502 20 0 GFADRO CN(C)CC[N@H+](C)CCCN(C)C(=O)c1cc(Cl)ccc1OC(F)F ZINC000685201110 565100040 /nfs/dbraw/zinc/10/00/40/565100040.db2.gz DQPXHMCRRIQRIV-UHFFFAOYSA-N 1 0 377.863 2.897 20 0 GFADRO CS(=O)(=O)N[C@@H]1CCCC[C@H]1C[NH2+]Cc1cccc(F)c1OC(F)F ZINC000657464969 565103150 /nfs/dbraw/zinc/10/31/50/565103150.db2.gz UHUXCJQOKCNTJT-SMDDNHRTSA-N 1 0 380.432 2.625 20 0 GFADRO OC[C@@H](C[NH2+]Cc1cc2n(n1)CCC2)Cc1ccc(F)c(Br)c1 ZINC000657485902 565104529 /nfs/dbraw/zinc/10/45/29/565104529.db2.gz UZWWTFMVZGZRHZ-CYBMUJFWSA-N 1 0 382.277 2.672 20 0 GFADRO O=C(Nc1cc(I)ccc1O)c1ccc2c[nH+]cn2c1 ZINC000585701424 565105353 /nfs/dbraw/zinc/10/53/53/565105353.db2.gz SSWRFXYMNJIAHY-UHFFFAOYSA-N 1 0 379.157 2.897 20 0 GFADRO Cc1ccc([C@H](CNC(=O)CCn2cc(Br)cn2)[NH+]2CCCC2)o1 ZINC000585716599 565106545 /nfs/dbraw/zinc/10/65/45/565106545.db2.gz DKGYMNIJCOCLHM-HNNXBMFYSA-N 1 0 395.301 2.890 20 0 GFADRO CC(C)(C[NH+]1CCOCC1)C(=O)N[C@@H]1[C@H]2Cc3cc(Br)ccc3[C@@H]12 ZINC000636313871 565107188 /nfs/dbraw/zinc/10/71/88/565107188.db2.gz WGNKTMSIDBLBKU-GVDBMIGSSA-N 1 0 393.325 2.562 20 0 GFADRO CC[C@@H]1C[N@H+](C)CCCN1S(=O)(=O)c1ccc(F)c(Br)c1 ZINC000685510269 565109381 /nfs/dbraw/zinc/10/93/81/565109381.db2.gz WWTFMWKZKPGWBG-LLVKDONJSA-N 1 0 379.295 2.693 20 0 GFADRO Cc1n[nH]cc1[C@H](C)[NH2+]CC(=O)Nc1ccc(I)cc1 ZINC000585765394 565110433 /nfs/dbraw/zinc/11/04/33/565110433.db2.gz ATRIMVHCOLTGJH-VIFPVBQESA-N 1 0 384.221 2.612 20 0 GFADRO Cc1cc(Br)c(Cl)cc1NC(=O)C(=O)N[C@@H](C)CC[NH+](C)C ZINC000657591060 565111587 /nfs/dbraw/zinc/11/15/87/565111587.db2.gz BDWYPPOSEOVHLI-JTQLQIEISA-N 1 0 390.709 2.806 20 0 GFADRO O=C(NC[C@H]1C[N@@H+]2CCN1CCC2)c1cc2ccc(Br)cc2s1 ZINC000614511604 565115801 /nfs/dbraw/zinc/11/58/01/565115801.db2.gz KXRRIYOYSVJEIW-AWEZNQCLSA-N 1 0 394.338 2.784 20 0 GFADRO CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)C[NH2+][C@H]1CSC[C@@H]1C ZINC000586779909 565117100 /nfs/dbraw/zinc/11/71/00/565117100.db2.gz NNVLDLGONZRQSD-CABZTGNLSA-N 1 0 384.523 2.715 20 0 GFADRO O=C(c1c(O)cnc2c(Br)cccc21)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000685653525 565118565 /nfs/dbraw/zinc/11/85/65/565118565.db2.gz KCVZSMCKFCIGJJ-NSHDSACASA-N 1 0 376.254 2.623 20 0 GFADRO C[C@H](Cn1cncn1)NC(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000636689320 565120448 /nfs/dbraw/zinc/12/04/48/565120448.db2.gz WAUAVNKNOZOTPM-ABAIWWIYSA-N 1 0 385.299 2.576 20 0 GFADRO Cc1c(Br)cncc1C[NH2+][C@@H]1C[C@@H](N2CCOCC2)C12CCC2 ZINC000657748037 565125837 /nfs/dbraw/zinc/12/58/37/565125837.db2.gz CKBBCKSIRMXWET-IAGOWNOFSA-N 1 0 380.330 2.886 20 0 GFADRO CC(C)(C)N1C[C@@H](C[NH2+]Cc2cc(Br)c3c(c2)OCCO3)CC1=O ZINC000657754590 565127203 /nfs/dbraw/zinc/12/72/03/565127203.db2.gz KUAMTDAIVXIGFG-CYBMUJFWSA-N 1 0 397.313 2.957 20 0 GFADRO COCCN(Cc1sccc1Br)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000636988083 565133685 /nfs/dbraw/zinc/13/36/85/565133685.db2.gz GCNXOGAEUSETPF-GFCCVEGCSA-N 1 0 390.347 2.811 20 0 GFADRO COC(=O)[C@H](c1ccc(Cl)cc1Cl)N1CC[N@H+](CCO)C(C)(C)C1 ZINC000614920122 565139467 /nfs/dbraw/zinc/13/94/67/565139467.db2.gz DWBJYVVMEQGVJG-HNNXBMFYSA-N 1 0 375.296 2.596 20 0 GFADRO CCC[N@H+](CC)C[C@H](C)NC(=O)C(=O)Nc1cccc(Br)c1F ZINC000657961754 565140872 /nfs/dbraw/zinc/14/08/72/565140872.db2.gz PVCFNXHZBUXDBL-NSHDSACASA-N 1 0 388.281 2.763 20 0 GFADRO CSc1ccc([C@H](CNC(=O)N[C@@H](C)[C@@H](O)C(F)(F)F)[NH+](C)C)cc1 ZINC000637175411 565143158 /nfs/dbraw/zinc/14/31/58/565143158.db2.gz FPBAQEFWJJQCID-LEWSCRJBSA-N 1 0 379.448 2.622 20 0 GFADRO C[NH+](C)C[C@H](NC(=O)NC[C@@]1(C)CCC(=O)N1)c1ccc(Cl)c(Cl)c1 ZINC000637205128 565144341 /nfs/dbraw/zinc/14/43/41/565144341.db2.gz ALISYBKETPCPEA-WMLDXEAASA-N 1 0 387.311 2.564 20 0 GFADRO C[C@H]1COCC[N@@H+]1C1CCN(C(=O)c2cccc(Br)c2F)CC1 ZINC000615085676 565144270 /nfs/dbraw/zinc/14/42/70/565144270.db2.gz HUXOIBUGZCHKRH-LBPRGKRZSA-N 1 0 385.277 2.914 20 0 GFADRO Cc1c(F)c(Br)ccc1NC(=O)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000657992795 565144285 /nfs/dbraw/zinc/14/42/85/565144285.db2.gz OVINHVYPDXMRBI-YOGCLGLASA-N 1 0 398.276 2.577 20 0 GFADRO COC1([C@H](C)[NH2+]CCNS(=O)(=O)c2cccc(Cl)c2Cl)CCC1 ZINC000658009504 565145176 /nfs/dbraw/zinc/14/51/76/565145176.db2.gz DLMFOCJOWBYMKS-NSHDSACASA-N 1 0 381.325 2.819 20 0 GFADRO C[C@@H]1COCC[N@@H+]1C1CCN(C(=O)Cc2cc(Br)ccc2F)CC1 ZINC000615089273 565145210 /nfs/dbraw/zinc/14/52/10/565145210.db2.gz IRCXHFONTWUNJZ-CYBMUJFWSA-N 1 0 399.304 2.842 20 0 GFADRO CON1CCC(NC(=O)N[C@@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)CC1 ZINC000637232289 565146709 /nfs/dbraw/zinc/14/67/09/565146709.db2.gz BRKZNRNNUCXZPO-INIZCTEOSA-N 1 0 389.327 2.921 20 0 GFADRO COc1ccsc1[C@@H](C)[NH2+]CCNC(=O)c1ccc(Br)cn1 ZINC000658092283 565149072 /nfs/dbraw/zinc/14/90/72/565149072.db2.gz LHHKAGFCALTNMX-SNVBAGLBSA-N 1 0 384.299 2.995 20 0 GFADRO O=C(NCC[NH2+]C1CC1)N1CCC(Oc2cccc(Br)c2)CC1 ZINC000637307817 565150132 /nfs/dbraw/zinc/15/01/32/565150132.db2.gz UOSKHXPIBQNLEI-UHFFFAOYSA-N 1 0 382.302 2.754 20 0 GFADRO O=C(NCC[NH2+]C1CC1)N1CCO[C@@H](c2cc(F)c(Cl)cc2Cl)C1 ZINC000637329667 565150146 /nfs/dbraw/zinc/15/01/46/565150146.db2.gz NEWOLPOQBNJICS-OAHLLOKOSA-N 1 0 376.259 2.967 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccccc2Br)C1 ZINC000658118711 565150200 /nfs/dbraw/zinc/15/02/00/565150200.db2.gz GIUQPAXBELWITD-LBPRGKRZSA-N 1 0 382.302 2.624 20 0 GFADRO O=C(NCC[NH2+][C@H](c1cncc(F)c1)C1CC1)c1ccc(Br)cn1 ZINC000658096440 565150390 /nfs/dbraw/zinc/15/03/90/565150390.db2.gz POVWKABECKALKN-INIZCTEOSA-N 1 0 393.260 2.849 20 0 GFADRO Cc1ccc(NC(=O)C(=O)NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)cc1Br ZINC000658118909 565150655 /nfs/dbraw/zinc/15/06/55/565150655.db2.gz IWKNYCLHMDVRFM-ZDUSSCGKSA-N 1 0 396.329 2.933 20 0 GFADRO C[C@@H]([NH2+]CCNC(=O)c1ccc(Br)cn1)c1ccncc1Cl ZINC000658096539 565150776 /nfs/dbraw/zinc/15/07/76/565150776.db2.gz RBXJQPKTOOYFJU-SNVBAGLBSA-N 1 0 383.677 2.973 20 0 GFADRO Cc1cccc(NC(=O)C(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)c1Br ZINC000658123938 565151462 /nfs/dbraw/zinc/15/14/62/565151462.db2.gz CDXCMVPKVAPQAN-LBPRGKRZSA-N 1 0 382.302 2.685 20 0 GFADRO CC(C)[NH+]1CCC(C(=O)Nc2nn(CC(F)(F)F)cc2Br)CC1 ZINC000637368515 565152386 /nfs/dbraw/zinc/15/23/86/565152386.db2.gz IYQQGHPBYNGMMG-UHFFFAOYSA-N 1 0 397.239 3.267 20 0 GFADRO CC(=O)c1cc(Br)ccc1OCC(=O)N1CC[C@@H]([NH+](C)C)[C@@H]1C ZINC000615302999 565155944 /nfs/dbraw/zinc/15/59/44/565155944.db2.gz PUOXZMRVMWFIEC-XHDPSFHLSA-N 1 0 383.286 2.582 20 0 GFADRO CC[C@H]([NH2+]CCc1cncc(C)n1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000658261139 565156920 /nfs/dbraw/zinc/15/69/20/565156920.db2.gz FLSAAGQKBHUICB-INIZCTEOSA-N 1 0 382.917 2.630 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000658263689 565158092 /nfs/dbraw/zinc/15/80/92/565158092.db2.gz KVPBFGJNIYUDMY-AWEZNQCLSA-N 1 0 396.329 2.939 20 0 GFADRO C[N@@H+]1CCC[C@]2(CCN(C(=O)c3nn(C(C)(C)C)cc3Br)C2)C1 ZINC000615357385 565158601 /nfs/dbraw/zinc/15/86/01/565158601.db2.gz YZMCYUCKIOKQID-KRWDZBQOSA-N 1 0 383.334 2.959 20 0 GFADRO COCCCN(CCO)C(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000637474531 565158584 /nfs/dbraw/zinc/15/85/84/565158584.db2.gz PDPBWLRKLKMXNR-INIZCTEOSA-N 1 0 392.327 2.637 20 0 GFADRO CSC1(CNS(=O)(=O)c2cc(C)cc3cccnc32)CC[NH+](C)CC1 ZINC000589295230 565159898 /nfs/dbraw/zinc/15/98/98/565159898.db2.gz HWXIMEUZYDOUNL-UHFFFAOYSA-N 1 0 379.551 2.649 20 0 GFADRO CC[C@@H](Cc1ccc(Br)cc1)[NH2+]C1CCC2(CC1)NC(=O)NC2=O ZINC000658323167 565159912 /nfs/dbraw/zinc/15/99/12/565159912.db2.gz IFAWETCGJZLTJZ-SYJJWHGVSA-N 1 0 394.313 2.881 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)C(=O)N(CC)[C@@H]1CC[N@H+](C)C1 ZINC000658363208 565160806 /nfs/dbraw/zinc/16/08/06/565160806.db2.gz UUPMKUJWNIEAGF-CQSZACIVSA-N 1 0 382.302 2.503 20 0 GFADRO CCN(C(=O)C(=O)Nc1cc(Cl)cc(C(F)(F)F)c1)[C@@H]1CC[N@H+](C)C1 ZINC000658361455 565160908 /nfs/dbraw/zinc/16/09/08/565160908.db2.gz MXTZTOLPJFDLCY-CYBMUJFWSA-N 1 0 377.794 2.850 20 0 GFADRO CCCOc1ccc(Br)cc1S(=O)(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000658365414 565161301 /nfs/dbraw/zinc/16/13/01/565161301.db2.gz QAZFWMAOZRGYJS-ZDUSSCGKSA-N 1 0 391.331 2.658 20 0 GFADRO C[NH+](C)CC1CN(C(=O)c2ccc(Br)c(OC(F)(F)F)c2)C1 ZINC000615506231 565163034 /nfs/dbraw/zinc/16/30/34/565163034.db2.gz NDUFRQPRJSOTAT-UHFFFAOYSA-N 1 0 381.192 2.981 20 0 GFADRO C[NH+](C)CC1CN(C(=O)Cc2ccc(Br)c(Br)c2)C1 ZINC000615506108 565163209 /nfs/dbraw/zinc/16/32/09/565163209.db2.gz JKFKWUJNPBFPTB-UHFFFAOYSA-N 1 0 390.119 2.774 20 0 GFADRO CCCOc1ccc(Br)cc1S(=O)(=O)N1CCC[C@@H]([NH2+]C)C1 ZINC000658377630 565165059 /nfs/dbraw/zinc/16/50/59/565165059.db2.gz IRNOKFAFZWUJFF-CYBMUJFWSA-N 1 0 391.331 2.610 20 0 GFADRO [NH3+][C@@H]1CN(S(=O)(=O)CCc2ccccc2Cl)C[C@H]1c1ccccc1F ZINC000658382102 565166000 /nfs/dbraw/zinc/16/60/00/565166000.db2.gz FIHLGGWPLJKMMD-MAUKXSAKSA-N 1 0 382.888 2.778 20 0 GFADRO O=S(=O)(N[C@H]1CC[NH2+]C2(CCC2)C1)c1cc(Br)ccc1F ZINC000658401731 565167645 /nfs/dbraw/zinc/16/76/45/565167645.db2.gz HXOZYJPXVCVREZ-NSHDSACASA-N 1 0 377.279 2.541 20 0 GFADRO C[C@@H]1CCCN(S(=O)(=O)N(C)Cc2c(F)cccc2Cl)[C@@H]1CCC[NH3+] ZINC000658400575 565168341 /nfs/dbraw/zinc/16/83/41/565168341.db2.gz ZRXBFZQTPAOOGK-CXAGYDPISA-N 1 0 391.940 2.995 20 0 GFADRO O=S(=O)(Cc1ccc(OC(F)(F)F)cc1)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000658400578 565168400 /nfs/dbraw/zinc/16/84/00/565168400.db2.gz JOIVOVNRIWCREJ-ZDUSSCGKSA-N 1 0 378.416 2.679 20 0 GFADRO O=C(NC[C@@H]1CCCC[N@H+]1CCO)c1cc2cc(Br)sc2[nH]1 ZINC000615657278 565169176 /nfs/dbraw/zinc/16/91/76/565169176.db2.gz QPYFPZRFCKSGPA-NSHDSACASA-N 1 0 386.315 2.569 20 0 GFADRO CC1(C)NC(=O)N(CC[NH2+]C2(c3cccc(Br)c3)CCC2)C1=O ZINC000590058336 565176579 /nfs/dbraw/zinc/17/65/79/565176579.db2.gz AOYFAYLUIWBROR-UHFFFAOYSA-N 1 0 380.286 2.748 20 0 GFADRO C[N@@H+](Cc1ccccc1)C[C@H](N)C(=O)NCc1cc(Br)cs1 ZINC000637935081 565177230 /nfs/dbraw/zinc/17/72/30/565177230.db2.gz LPYVIZHHVBLGHP-HNNXBMFYSA-N 1 0 382.327 2.586 20 0 GFADRO O=C(NCc1ccc(Cl)c(Cl)c1)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000658615309 565178048 /nfs/dbraw/zinc/17/80/48/565178048.db2.gz PZMVDAWFYKTFMR-CQSZACIVSA-N 1 0 384.307 2.554 20 0 GFADRO [NH3+][C@H]1CC=C(C(=O)NCC2(c3ccc(Br)cc3)CCOCC2)C1 ZINC000637974755 565178186 /nfs/dbraw/zinc/17/81/86/565178186.db2.gz ZZKJSUGIZJUSST-INIZCTEOSA-N 1 0 379.298 2.661 20 0 GFADRO COC(=O)c1cccc(Br)c1CN1CCN(c2cc[nH+]cc2)CC1 ZINC000590111472 565179149 /nfs/dbraw/zinc/17/91/49/565179149.db2.gz AMAPNVSJLBLUJJ-UHFFFAOYSA-N 1 0 390.281 2.953 20 0 GFADRO Cn1c(=O)oc2ccc(C[NH+]3CCC(n4cc(Br)cn4)CC3)cc21 ZINC000638072834 565183949 /nfs/dbraw/zinc/18/39/49/565183949.db2.gz PYHYTASFGUSIAE-UHFFFAOYSA-N 1 0 391.269 2.928 20 0 GFADRO C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)c1ccc(I)c(F)c1 ZINC000590402656 565187239 /nfs/dbraw/zinc/18/72/39/565187239.db2.gz GDUNCXSDGIZADS-TVQRCGJNSA-N 1 0 376.213 2.595 20 0 GFADRO COCC1(CNC(=O)[C@H]2C[C@]2(C)c2cccc(Br)c2)CC[NH2+]CC1 ZINC000638224422 565188620 /nfs/dbraw/zinc/18/86/20/565188620.db2.gz IXXSHVXKDZDFQF-SJLPKXTDSA-N 1 0 395.341 2.859 20 0 GFADRO CCN(C(=O)C(=O)N(C)Cc1cc(Cl)cc(Cl)c1)[C@@H]1CC[N@H+](CC)C1 ZINC000658829590 565189838 /nfs/dbraw/zinc/18/98/38/565189838.db2.gz NHNHFKRSJXCKBD-MRXNPFEDSA-N 1 0 386.323 2.895 20 0 GFADRO COCCOc1c(Cl)cc(NC(=O)[C@@]2(C[NH3+])CCCOC2)cc1Cl ZINC000638304751 565191301 /nfs/dbraw/zinc/19/13/01/565191301.db2.gz SVLMISDMKSISKR-MRXNPFEDSA-N 1 0 377.268 2.713 20 0 GFADRO Cc1cc(C[NH3+])oc1C(=O)N1CCN(c2ccc(Br)cc2)CC1 ZINC000638414915 565194813 /nfs/dbraw/zinc/19/48/13/565194813.db2.gz VAIRTQFHVHJDEE-UHFFFAOYSA-N 1 0 378.270 2.772 20 0 GFADRO COc1nsc(CNc2ccc(N3CC[NH+](C)CC3)cn2)c1Br ZINC000638397060 565195780 /nfs/dbraw/zinc/19/57/80/565195780.db2.gz COQKHFDKCMUPGM-UHFFFAOYSA-N 1 0 398.330 2.673 20 0 GFADRO COc1ccc([C@@H]2CCN(C(=O)c3cc(Br)c[nH]3)C[C@@H]2[NH3+])cc1F ZINC000658953664 565196442 /nfs/dbraw/zinc/19/64/42/565196442.db2.gz ASYSUGDOEWAIBP-JSGCOSHPSA-N 1 0 396.260 2.882 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CNC1CC[NH+](CC(C)(C)O)CC1 ZINC000638446046 565197046 /nfs/dbraw/zinc/19/70/46/565197046.db2.gz UEKUFFQPYAVWJW-UHFFFAOYSA-N 1 0 398.345 2.521 20 0 GFADRO C[C@@H]1CCN(C(=O)C2(c3ccc(Br)cc3)CCOCC2)C[C@@H]1[NH3+] ZINC000658974287 565197373 /nfs/dbraw/zinc/19/73/73/565197373.db2.gz RJHJXRTXKIUCJR-CJNGLKHVSA-N 1 0 381.314 2.693 20 0 GFADRO C[C@H](C[C@@H]1CCCC(=O)N1)[NH2+]CCC(=O)Nc1ccc(Br)cc1 ZINC000638492743 565199317 /nfs/dbraw/zinc/19/93/17/565199317.db2.gz ZYQUZRQZVGDGJX-DOMZBBRYSA-N 1 0 382.302 2.815 20 0 GFADRO C[C@@H]1CCN(C(=O)Nc2ccnn2-c2ccc(Br)cn2)[C@H](C[NH3+])C1 ZINC000659011178 565199384 /nfs/dbraw/zinc/19/93/84/565199384.db2.gz DNBSYSUUOWSLNR-YPMHNXCESA-N 1 0 393.289 2.621 20 0 GFADRO [NH3+]CC12CC(C1)CN2C(=O)Nc1ccnn1Cc1ccc(Br)cc1 ZINC000659010044 565199687 /nfs/dbraw/zinc/19/96/87/565199687.db2.gz PIPGEULJISHSOS-UHFFFAOYSA-N 1 0 390.285 2.649 20 0 GFADRO C[C@@H](CCCC[NH3+])NC(=O)C(=O)N1CC(C)(C)c2ccc(Br)cc21 ZINC000659084783 565200251 /nfs/dbraw/zinc/20/02/51/565200251.db2.gz OAWSVOYUGIICNL-LBPRGKRZSA-N 1 0 396.329 2.707 20 0 GFADRO Cc1cc(Br)c(Cl)cc1NC(=O)C(=O)N1C[C@H](C[NH3+])C[C@H]1C ZINC000659081811 565200892 /nfs/dbraw/zinc/20/08/92/565200892.db2.gz RGECLATXJURHGX-ZJUUUORDSA-N 1 0 388.693 2.545 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)COc2ccccc2Br)CC[C@@H]1C(F)(F)F ZINC000638558002 565201299 /nfs/dbraw/zinc/20/12/99/565201299.db2.gz UJBHPPKEIUYFLH-QWRGUYRKSA-N 1 0 395.219 2.814 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)Cc2ccc(Br)cc2)CC[C@@H]1C(F)(F)F ZINC000638551434 565201333 /nfs/dbraw/zinc/20/13/33/565201333.db2.gz WJQBDHAXSDJJBT-AAEUAGOBSA-N 1 0 379.220 2.977 20 0 GFADRO Cc1cc(Br)c(Cl)cc1NC(=O)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000659087399 565201583 /nfs/dbraw/zinc/20/15/83/565201583.db2.gz LQQUMXMKHKDIBM-JTQLQIEISA-N 1 0 388.693 2.608 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)c2ccc(Br)cc2)CC[C@@H]1C(F)(F)F ZINC000638549027 565201662 /nfs/dbraw/zinc/20/16/62/565201662.db2.gz MNIJYTVBCLLJQS-PWSUYJOCSA-N 1 0 393.203 2.618 20 0 GFADRO O=C(NCc1cc(F)c(Br)cc1F)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000638602782 565204305 /nfs/dbraw/zinc/20/43/05/565204305.db2.gz YZJIPVNCJCBIDT-LBPRGKRZSA-N 1 0 399.239 2.778 20 0 GFADRO C[C@H]1CC[C@@H](NC(=O)c2nn(-c3ccc(F)cc3)cc2Br)C[NH2+]1 ZINC000638643843 565205920 /nfs/dbraw/zinc/20/59/20/565205920.db2.gz COBXEZFWMICYTB-CMPLNLGQSA-N 1 0 381.249 2.644 20 0 GFADRO CN(CCOCC[NH3+])C(=O)c1ccc(Oc2cccc(Cl)c2Cl)nn1 ZINC000638676110 565207026 /nfs/dbraw/zinc/20/70/26/565207026.db2.gz GIVXWXAIYRGZHW-UHFFFAOYSA-N 1 0 385.251 2.623 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+][C@H]2CCCN(c3ccccc3Cl)C2)cc1 ZINC000638676027 565207102 /nfs/dbraw/zinc/20/71/02/565207102.db2.gz NQHKOKDHOGATRC-HNNXBMFYSA-N 1 0 379.913 2.746 20 0 GFADRO Brc1cnc2c(C[NH2+]CC[C@@H]3COc4ccccc4O3)cnn2c1 ZINC000638768702 565208946 /nfs/dbraw/zinc/20/89/46/565208946.db2.gz GPFFKJRMZSJQTD-CQSZACIVSA-N 1 0 389.253 2.812 20 0 GFADRO O=C1C[C@H]([NH2+]C2CCN(Cc3ccc(Br)cc3)CC2)CCCN1 ZINC000638747608 565209605 /nfs/dbraw/zinc/20/96/05/565209605.db2.gz DDUISKIGHOFIEU-QGZVFWFLSA-N 1 0 380.330 2.672 20 0 GFADRO CN1CC[C@H]([NH2+]C[C@]2(CCO)CCOC2)C[C@@H]1c1ccc(Br)cc1 ZINC000638745961 565209618 /nfs/dbraw/zinc/20/96/18/565209618.db2.gz BVHOHCZXTNUAOS-OTWHNJEPSA-N 1 0 397.357 2.963 20 0 GFADRO CNC(=O)C(C)(C)C[NH2+][C@H]1CCN(C)[C@H](c2ccc(Br)cc2)C1 ZINC000638792447 565211431 /nfs/dbraw/zinc/21/14/31/565211431.db2.gz XDDTXOWHFQJCTL-HOTGVXAUSA-N 1 0 382.346 2.946 20 0 GFADRO O=C(Cc1ccc(Br)cc1F)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000638787099 565211912 /nfs/dbraw/zinc/21/19/12/565211912.db2.gz ZWOOOQJJSFMLJA-MRXNPFEDSA-N 1 0 399.304 2.748 20 0 GFADRO CN(C[C@H](O)COc1cc(Cl)cc(Cl)c1)C(=O)[C@H]1CC12CC[NH2+]CC2 ZINC000638828063 565212956 /nfs/dbraw/zinc/21/29/56/565212956.db2.gz QEJVHIQHLDXGCW-GOEBONIOSA-N 1 0 387.307 2.581 20 0 GFADRO C[C@@H]1CCCN(C(=O)c2cc(Br)cc3c2OCCO3)[C@H]1CC[NH3+] ZINC000659330066 565212884 /nfs/dbraw/zinc/21/28/84/565212884.db2.gz ZQJMWDHJSAZLNE-RISCZKNCSA-N 1 0 383.286 2.810 20 0 GFADRO CN1CCN(c2cc[nH+]cc2NC(=O)Cc2ccccc2Br)CC1 ZINC000591012257 565213185 /nfs/dbraw/zinc/21/31/85/565213185.db2.gz UVIALCKNGVXDFK-UHFFFAOYSA-N 1 0 389.297 2.777 20 0 GFADRO Cc1cc(Br)c2c(c1)CCN(C(=O)COC1CCC([NH3+])CC1)C2 ZINC000638824883 565213098 /nfs/dbraw/zinc/21/30/98/565213098.db2.gz IYCPNXVVOHZFKL-UHFFFAOYSA-N 1 0 381.314 2.929 20 0 GFADRO CN(C[C@@H](O)COc1cc(Cl)cc(Cl)c1)C(=O)CC1CC[NH2+]CC1 ZINC000638827453 565213191 /nfs/dbraw/zinc/21/31/91/565213191.db2.gz LETIWEHXKGMEAH-OAHLLOKOSA-N 1 0 375.296 2.581 20 0 GFADRO Cn1cc(Br)cc1C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000659354660 565214392 /nfs/dbraw/zinc/21/43/92/565214392.db2.gz BPCDZXMCTWCZKA-HUUCEWRRSA-N 1 0 380.261 2.802 20 0 GFADRO [NH3+]C1(C(=O)N2CCN(c3ccc(Br)cc3)CC2)CC2(CCC2)C1 ZINC000659356938 565214443 /nfs/dbraw/zinc/21/44/43/565214443.db2.gz AMYQNKOEHQCIJY-UHFFFAOYSA-N 1 0 378.314 2.759 20 0 GFADRO O=C(N[C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000638833031 565214547 /nfs/dbraw/zinc/21/45/47/565214547.db2.gz UMRLZOISGCUPPT-ZRQNBYAXSA-N 1 0 389.215 2.745 20 0 GFADRO COCC1(C(=O)NCC2(Cc3ccc(Br)cc3)CC2)CC[NH2+]CC1 ZINC000659359523 565214762 /nfs/dbraw/zinc/21/47/62/565214762.db2.gz SJDQWZXGJFASJC-UHFFFAOYSA-N 1 0 395.341 2.904 20 0 GFADRO [NH3+][C@@H]1CN(C(=O)c2ccc(Br)c(OC(F)(F)F)c2)CC[C@H]1F ZINC000659387228 565216094 /nfs/dbraw/zinc/21/60/94/565216094.db2.gz QHMPRXCQRFJIAN-NXEZZACHSA-N 1 0 385.155 2.859 20 0 GFADRO COc1cc(CNC(=O)NCC2([NH3+])CCCC2)cc(Br)c1OC ZINC000659447166 565217641 /nfs/dbraw/zinc/21/76/41/565217641.db2.gz OKMYDGKKUNNHSI-UHFFFAOYSA-N 1 0 386.290 2.537 20 0 GFADRO [NH3+]C1(CNC(=O)N[C@H]2CCN(c3ccccc3Br)C2)CCCC1 ZINC000659452953 565217696 /nfs/dbraw/zinc/21/76/96/565217696.db2.gz GQXJJUORGZMHJT-ZDUSSCGKSA-N 1 0 381.318 2.599 20 0 GFADRO O=C(c1ccc(Cl)c(Cl)c1)N1CCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638921319 565218320 /nfs/dbraw/zinc/21/83/20/565218320.db2.gz JQGBSYZKKDIHCZ-DVOMOZLQSA-N 1 0 382.291 2.561 20 0 GFADRO C[C@H](NC(=O)N1CCN(c2ccc(Br)cc2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000659513272 565218655 /nfs/dbraw/zinc/21/86/55/565218655.db2.gz XKFOCHIIBXXIEF-LSDHHAIUSA-N 1 0 395.345 2.669 20 0 GFADRO Cc1n[nH]c(CC[NH2+][C@@H]2CCN(C)[C@@H](c3ccc(Br)cc3)C2)n1 ZINC000638949330 565219152 /nfs/dbraw/zinc/21/91/52/565219152.db2.gz ASLIXAJHRGPBHX-HZPDHXFCSA-N 1 0 378.318 2.843 20 0 GFADRO Cc1cc(I)ccc1NC(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000591271912 565221023 /nfs/dbraw/zinc/22/10/23/565221023.db2.gz DALQZULZGUHKGK-RISCZKNCSA-N 1 0 385.249 2.815 20 0 GFADRO Cc1c(C(=O)N[C@H]2CC[C@H]([NH3+])CC2)cnn1-c1ccc(Br)cc1 ZINC000639026540 565221011 /nfs/dbraw/zinc/22/10/11/565221011.db2.gz KGCDSTINENXBKG-HDJSIYSDSA-N 1 0 377.286 2.943 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)N[C@@H]2CCCCc3cc(Br)ccc32)CCO1 ZINC000659627769 565221167 /nfs/dbraw/zinc/22/11/67/565221167.db2.gz ITVDSFCWTNAQST-GOEBONIOSA-N 1 0 382.302 2.586 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)NCC2(Cc3ccc(Br)cc3)CC2)CCCO1 ZINC000659599324 565221274 /nfs/dbraw/zinc/22/12/74/565221274.db2.gz JVXBGZZNNAVEIJ-INIZCTEOSA-N 1 0 396.329 2.531 20 0 GFADRO O=C(NCC1CC[NH+](C2CCOCC2)CC1)c1ncsc1C(F)(F)F ZINC000617111560 565221353 /nfs/dbraw/zinc/22/13/53/565221353.db2.gz ZNBWHJMBIZHNKP-UHFFFAOYSA-N 1 0 377.432 2.783 20 0 GFADRO CC(C)[C@H]([NH3+])CCNC(=O)N1CCN(Cc2ccc(Br)cc2)CC1 ZINC000659622264 565221685 /nfs/dbraw/zinc/22/16/85/565221685.db2.gz PQIGWETYWJFWQQ-QGZVFWFLSA-N 1 0 397.361 2.650 20 0 GFADRO COC(=O)c1cc(NC(=O)NCCC[NH2+]C2CC2)c(Br)cc1F ZINC000591287246 565221869 /nfs/dbraw/zinc/22/18/69/565221869.db2.gz HBLKIURWGFTXMC-UHFFFAOYSA-N 1 0 388.237 2.638 20 0 GFADRO O=C(NCc1ccc(Cl)c(Cl)c1)C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000659737382 565222058 /nfs/dbraw/zinc/22/20/58/565222058.db2.gz UBPXNJJUAUBQAP-INIZCTEOSA-N 1 0 384.307 2.600 20 0 GFADRO Cc1ccc(I)cc1NC(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000591299822 565222798 /nfs/dbraw/zinc/22/27/98/565222798.db2.gz ZMXWVZWNIBKQSF-SMDDNHRTSA-N 1 0 385.249 2.815 20 0 GFADRO CCOC(=O)c1cc(Br)ccc1NC(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000591292830 565223090 /nfs/dbraw/zinc/22/30/90/565223090.db2.gz CTLMZEWOCJYXBX-NSHDSACASA-N 1 0 384.274 2.828 20 0 GFADRO CC[NH+](CC)CCN(CCOC)C(=O)Cc1ccc(F)c(Br)c1 ZINC000591292953 565223092 /nfs/dbraw/zinc/22/30/92/565223092.db2.gz AMRWKKBVQGQVAV-UHFFFAOYSA-N 1 0 389.309 2.948 20 0 GFADRO C[C@]1(C[NH2+]Cc2ccc(S(N)(=O)=O)s2)CCCN1Cc1ccccc1 ZINC000639070644 565223390 /nfs/dbraw/zinc/22/33/90/565223390.db2.gz CHGNQPZBPUAVNH-GOSISDBHSA-N 1 0 379.551 2.540 20 0 GFADRO C[C@H](C[C@@H]1CCCC(=O)N1)[NH2+]C[C@@H](CO)Cc1ccc(Br)cc1 ZINC000639103897 565224381 /nfs/dbraw/zinc/22/43/81/565224381.db2.gz JMSPOIDJBSDQAS-KMFMINBZSA-N 1 0 383.330 2.637 20 0 GFADRO Nc1ncc(C[NH2+][C@H](CC2CC2)c2cc(F)cc(Br)c2)c(N)n1 ZINC000639075731 565224663 /nfs/dbraw/zinc/22/46/63/565224663.db2.gz LHDGZFNXDWVNEX-CQSZACIVSA-N 1 0 380.265 2.834 20 0 GFADRO CNS(=O)(=O)c1ccc(C[N@@H+](Cc2cccs2)C[C@@H]2CCCO2)cc1 ZINC000659830239 565224890 /nfs/dbraw/zinc/22/48/90/565224890.db2.gz FWZOHBRZVIDBIA-INIZCTEOSA-N 1 0 380.535 2.837 20 0 GFADRO CC(C)(CO)[C@H]([NH2+]Cc1ccc(S(N)(=O)=O)c(Cl)c1)c1ccccc1 ZINC000639111403 565226072 /nfs/dbraw/zinc/22/60/72/565226072.db2.gz WPCKKHRCVUGXRN-QGZVFWFLSA-N 1 0 382.913 2.837 20 0 GFADRO [NH3+]C/C=C\CNC(=O)N1CCC[C@H]1c1ccccc1I ZINC000591360933 565227108 /nfs/dbraw/zinc/22/71/08/565227108.db2.gz MWEVDDJZJMAXAW-NQHOJNORSA-N 1 0 385.249 2.653 20 0 GFADRO COC1(C[NH2+]Cc2ccc(F)cc2I)CCOCC1 ZINC000591356016 565227234 /nfs/dbraw/zinc/22/72/34/565227234.db2.gz FUDARGIWRNUBDZ-UHFFFAOYSA-N 1 0 379.213 2.716 20 0 GFADRO C[C@H]([NH2+][C@H]1CCN(C)[C@H](c2ccc(Br)cc2)C1)C(=O)NCCF ZINC000639137951 565228846 /nfs/dbraw/zinc/22/88/46/565228846.db2.gz MBIULFLFMHTVGM-RCBQFDQVSA-N 1 0 386.309 2.648 20 0 GFADRO OC[C@@]1([NH2+]Cc2cnn3cc(Br)cnc23)CCCc2ccccc21 ZINC000639137370 565229043 /nfs/dbraw/zinc/22/90/43/565229043.db2.gz XPYOKNWGYQWQKD-SFHVURJKSA-N 1 0 387.281 2.806 20 0 GFADRO CCC[N@H+](C)[C@@H](CNCc1ccc(S(N)(=O)=O)o1)c1ccc(Cl)cc1 ZINC000639157716 565229737 /nfs/dbraw/zinc/22/97/37/565229737.db2.gz QRSPVYPPOLPZNR-INIZCTEOSA-N 1 0 385.917 2.753 20 0 GFADRO Cc1ccc(Br)c(S(=O)(=O)NCC[NH2+][C@H](C)[C@@H]2CC2(F)F)c1 ZINC000639166495 565229812 /nfs/dbraw/zinc/22/98/12/565229812.db2.gz LQPUKROYNAAJPX-MNOVXSKESA-N 1 0 397.285 2.669 20 0 GFADRO C[NH+]1CCC([C@H]2CC[N@H+](Cc3cnn4cc(Br)cnc34)C2)CC1 ZINC000639176686 565229831 /nfs/dbraw/zinc/22/98/31/565229831.db2.gz JALUWRAMUFLNCD-AWEZNQCLSA-N 1 0 378.318 2.656 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+][C@H]2CCC[C@H]2Oc2cc(F)cc(F)c2)s1 ZINC000639166596 565230003 /nfs/dbraw/zinc/23/00/03/565230003.db2.gz OCZOTTGIZPZWJI-LSDHHAIUSA-N 1 0 388.461 2.763 20 0 GFADRO C[C@@H]1CCN(c2ncnc3ccc(I)cc32)C[C@@H]1C[NH3+] ZINC000591446035 565230733 /nfs/dbraw/zinc/23/07/33/565230733.db2.gz MWSMFGVTOWNRSK-MNOVXSKESA-N 1 0 382.249 2.656 20 0 GFADRO COCCc1ncc(C[N@@H+]2CCC[C@@H](CNC(=O)CC(F)(F)F)C2)s1 ZINC000639157528 565230781 /nfs/dbraw/zinc/23/07/81/565230781.db2.gz PBDFHPRWLFKNFG-LBPRGKRZSA-N 1 0 379.448 2.613 20 0 GFADRO C[N@@H+]1CC[C@@H](C(=O)N2CCC(C(=O)Nc3cccc(Br)c3)CC2)C1 ZINC000591452828 565231264 /nfs/dbraw/zinc/23/12/64/565231264.db2.gz SGWCUEGYNAUURQ-CQSZACIVSA-N 1 0 394.313 2.578 20 0 GFADRO C[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2ccc(N)cc2F)[C@H]1c1cccs1 ZINC000659914171 565231310 /nfs/dbraw/zinc/23/13/10/565231310.db2.gz IINUUZMHVBADTL-SJCJKPOMSA-N 1 0 383.514 2.831 20 0 GFADRO CC[C@H](CC(F)F)C[NH+]1CCC(N(CC(F)(F)F)S(C)(=O)=O)CC1 ZINC000659927086 565232058 /nfs/dbraw/zinc/23/20/58/565232058.db2.gz OVFMCKBBRLKGCJ-LLVKDONJSA-N 1 0 380.423 2.956 20 0 GFADRO C[N@H+](CCn1cc(Br)cn1)Cc1ccccc1OCCCCO ZINC000639191059 565232146 /nfs/dbraw/zinc/23/21/46/565232146.db2.gz CAYWOHXYDRQODP-UHFFFAOYSA-N 1 0 382.302 2.929 20 0 GFADRO COCCN(CC[NH+](C)C)C(=O)NCc1ccc(-c2csc(C)n2)s1 ZINC000591548852 565232625 /nfs/dbraw/zinc/23/26/25/565232625.db2.gz SOGOVVITOFPSFC-UHFFFAOYSA-N 1 0 382.555 2.900 20 0 GFADRO Cc1ccc(C[C@H](CO)C[NH2+][C@H](C)C[C@@H]2CCCC(=O)N2)cc1Br ZINC000639241420 565234736 /nfs/dbraw/zinc/23/47/36/565234736.db2.gz AIKGMMUMUZVSOD-PVAVHDDUSA-N 1 0 397.357 2.945 20 0 GFADRO COc1nsc(C[NH2+]C[C@@]2(CO)CCc3ccccc32)c1Br ZINC000639287484 565237398 /nfs/dbraw/zinc/23/73/98/565237398.db2.gz CXGASPURWDIMNJ-MRXNPFEDSA-N 1 0 383.311 2.880 20 0 GFADRO C[S@@](=O)c1ccc(C[NH2+]C[C@H](O)COc2cccc(Br)c2)cc1 ZINC000591749308 565238545 /nfs/dbraw/zinc/23/85/45/565238545.db2.gz BOOUKZQHYOYIGV-NPMXOYFQSA-N 1 0 398.322 2.716 20 0 GFADRO C[NH+](C)C[C@@H]1CCCCN1S(=O)(=O)c1cc(Br)ccc1F ZINC000660010615 565239592 /nfs/dbraw/zinc/23/95/92/565239592.db2.gz KGDKLKKWPPAUOO-LBPRGKRZSA-N 1 0 379.295 2.693 20 0 GFADRO CCCNC(=O)[C@@H]1CCC[N@H+](Cc2cn3cc(Br)ccc3n2)C1 ZINC000591809162 565239896 /nfs/dbraw/zinc/23/98/96/565239896.db2.gz REXYRSKWRBYGJD-CYBMUJFWSA-N 1 0 379.302 2.835 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+][C@@H]2[C@H]3Cc4cc(Br)ccc4[C@@H]23)s1 ZINC000639379288 565243492 /nfs/dbraw/zinc/24/34/92/565243492.db2.gz ZRMBSRHVHDXBCR-NWANDNLSSA-N 1 0 399.335 2.586 20 0 GFADRO CCN(C(=O)c1nnn(-c2cccc(Br)c2)c1C)[C@@H]1CC[N@H+](C)C1 ZINC000617556067 565245381 /nfs/dbraw/zinc/24/53/81/565245381.db2.gz IZOYLAWFQRSTTK-OAHLLOKOSA-N 1 0 392.301 2.504 20 0 GFADRO CCN(C(=O)[C@H]1CCN(c2cc(Cl)ccc2Cl)C1=O)[C@@H]1CC[N@H+](C)C1 ZINC000617555724 565245716 /nfs/dbraw/zinc/24/57/16/565245716.db2.gz AOKIKVVGOAIWLP-ZIAGYGMSSA-N 1 0 384.307 2.899 20 0 GFADRO COCC[N@@H+]1CCC[C@H](NC(=O)[C@H](C)Oc2ccc(C)cc2Br)C1 ZINC000592098891 565255582 /nfs/dbraw/zinc/25/55/82/565255582.db2.gz ZKMLJIGQVDAHSH-GJZGRUSLSA-N 1 0 399.329 2.752 20 0 GFADRO COCC[N@@H+]1CCC[C@H](NC(=O)CCOc2cccc(Cl)c2Cl)C1 ZINC000592094102 565255640 /nfs/dbraw/zinc/25/56/40/565255640.db2.gz GFJIEHSJYWNJDP-ZDUSSCGKSA-N 1 0 375.296 2.989 20 0 GFADRO C[C@@H](CCNC(=O)[C@@H](c1cc(Cl)cc(Cl)c1)N1CCOCC1)[NH+](C)C ZINC000617755441 565256773 /nfs/dbraw/zinc/25/67/73/565256773.db2.gz OGQBMTGRXAWUKJ-SUMWQHHRSA-N 1 0 388.339 2.823 20 0 GFADRO O=c1cc([C@H]2CC[N@@H+](Cc3nc4ccc(Br)cc4o3)C2)[nH]c(=O)[nH]1 ZINC000639715203 565257421 /nfs/dbraw/zinc/25/74/21/565257421.db2.gz ZMQPAPADFBKETQ-VIFPVBQESA-N 1 0 391.225 2.781 20 0 GFADRO C[NH+](C)C[C@]1(O)CCCN(CC(=O)Nc2c(Cl)cc(Cl)cc2Cl)C1 ZINC000639761609 565258465 /nfs/dbraw/zinc/25/84/65/565258465.db2.gz NRWSAYUPJSFHMU-MRXNPFEDSA-N 1 0 394.730 2.974 20 0 GFADRO O=S(=O)(NCC1CC[NH+](CC2CC2)CC1)c1ccc(C(F)(F)F)nc1 ZINC000660152193 565260577 /nfs/dbraw/zinc/26/05/77/565260577.db2.gz SBEYWIVSHXGAEN-UHFFFAOYSA-N 1 0 377.432 2.501 20 0 GFADRO O=S(=O)(NCC1CC[NH+](CC2CC2)CC1)c1sccc1Br ZINC000660151605 565261052 /nfs/dbraw/zinc/26/10/52/565261052.db2.gz HGGMCGFZTBGDBS-UHFFFAOYSA-N 1 0 393.372 2.911 20 0 GFADRO C[NH+](C)CCC[C@@H]1CN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)CCO1 ZINC000660156856 565261483 /nfs/dbraw/zinc/26/14/83/565261483.db2.gz HYTYSMYAEJMPJF-CQSZACIVSA-N 1 0 395.352 2.866 20 0 GFADRO COC[C@@H]([NH2+]C[C@H](O)COc1cc(Cl)cc(Cl)c1)C1CCOCC1 ZINC000639784154 565261515 /nfs/dbraw/zinc/26/15/15/565261515.db2.gz JKQQULODPBFSAA-DOTOQJQBSA-N 1 0 378.296 2.764 20 0 GFADRO C[NH+]1CCC2(CC1)CN(Cc1ccc(I)cc1)CCO2 ZINC000592183585 565262468 /nfs/dbraw/zinc/26/24/68/565262468.db2.gz UONAFAFOBODTTA-UHFFFAOYSA-N 1 0 386.277 2.588 20 0 GFADRO CC(C)[C@@H]1CN(S(=O)(=O)c2ccc(Br)cc2Cl)CC[NH2+]1 ZINC000660186510 565264907 /nfs/dbraw/zinc/26/49/07/565264907.db2.gz BQJSRZVTPUOIQE-LBPRGKRZSA-N 1 0 381.723 2.721 20 0 GFADRO CCN(C(=O)c1c2ccc(Br)cc2nn1C)[C@@H]1CC[N@H+](CC)C1 ZINC000617922624 565267670 /nfs/dbraw/zinc/26/76/70/565267670.db2.gz PDKZPHDNMMHWDJ-CYBMUJFWSA-N 1 0 379.302 2.892 20 0 GFADRO CCN(C(=O)Cc1cc2c(cc1Br)OCCO2)[C@H]1CC[N@H+](CC)C1 ZINC000617932641 565267892 /nfs/dbraw/zinc/26/78/92/565267892.db2.gz WOOGNDCIIQWILJ-AWEZNQCLSA-N 1 0 397.313 2.706 20 0 GFADRO C[N@@H+](Cc1ccc(Br)cc1F)C[C@@H](O)COC1CCOCC1 ZINC000639921129 565268411 /nfs/dbraw/zinc/26/84/11/565268411.db2.gz JZNSLRHWSRQIFD-CQSZACIVSA-N 1 0 376.266 2.577 20 0 GFADRO CN(C)[C@@H](C(=O)N1CC(Oc2cccc(Cl)c2Cl)C1)c1cncn1C ZINC000617965376 565268726 /nfs/dbraw/zinc/26/87/26/565268726.db2.gz HHCQYJYSCDXNBU-MRXNPFEDSA-N 1 0 383.279 2.619 20 0 GFADRO COc1cc(NC(=O)NC2CC([NH+]3CCCCC3)C2)ncc1Br ZINC000639965861 565270705 /nfs/dbraw/zinc/27/07/05/565270705.db2.gz TWCSKRQFUUHJOK-UHFFFAOYSA-N 1 0 383.290 2.991 20 0 GFADRO CC(C)[N@H+](C)C[C@@H](O)CN1CCO[C@H](c2ccc(F)c(Br)c2)C1 ZINC000660313514 565271159 /nfs/dbraw/zinc/27/11/59/565271159.db2.gz NESWPKOIZKDOFR-PBHICJAKSA-N 1 0 389.309 2.663 20 0 GFADRO C[C@H]([NH3+])[C@H](C)NC(=O)c1ccc(Br)cc1I ZINC000592340041 565271230 /nfs/dbraw/zinc/27/12/30/565271230.db2.gz YXJPIMJAAODPMN-BQBZGAKWSA-N 1 0 397.054 2.519 20 0 GFADRO Ic1ccccc1OCCc1nc([C@H]2CCC[NH2+]2)no1 ZINC000592356859 565271545 /nfs/dbraw/zinc/27/15/45/565271545.db2.gz IOYZJDBSDFVZBB-LLVKDONJSA-N 1 0 385.205 2.720 20 0 GFADRO Cn1cc(C(=O)NC[C@H]2CCCN2Cc2csc(Br)c2)cn1 ZINC000639975388 565271706 /nfs/dbraw/zinc/27/17/06/565271706.db2.gz CRHKVWDZFIPMIZ-CYBMUJFWSA-N 1 0 383.315 2.639 20 0 GFADRO COc1ncc(Br)cc1CN1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC000660437484 565275166 /nfs/dbraw/zinc/27/51/66/565275166.db2.gz OORINQBFZVLSBC-ZDUSSCGKSA-N 1 0 384.318 2.538 20 0 GFADRO CC[NH+](CC)CCN(Cc1ccc(Cl)cc1)C(=O)[C@@H]1CCCS1(=O)=O ZINC000618174361 565276225 /nfs/dbraw/zinc/27/62/25/565276225.db2.gz YCNHRQFVQYOKRL-KRWDZBQOSA-N 1 0 386.945 2.588 20 0 GFADRO COc1cc(Cl)c(C)cc1NC(=O)CN1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000640053961 565277267 /nfs/dbraw/zinc/27/72/67/565277267.db2.gz LSMFONVWRXVAOJ-WDEREUQCSA-N 1 0 380.794 2.698 20 0 GFADRO COc1ccc(Cl)cc1NC(=O)[C@@H](C)N1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000640054590 565277740 /nfs/dbraw/zinc/27/77/40/565277740.db2.gz OGMFKIKXDDEUHR-JFGNBEQYSA-N 1 0 380.794 2.778 20 0 GFADRO [NH3+]C[C@H]1CCCn2ncc(C(=O)NCCOc3cccc(Cl)c3Cl)c21 ZINC000592502728 565279918 /nfs/dbraw/zinc/27/99/18/565279918.db2.gz YLEZOBNCJCLROW-LLVKDONJSA-N 1 0 383.279 2.835 20 0 GFADRO C[C@H](Cc1ccccc1Br)NC(=O)c1cnn2c1[C@@H](C[NH3+])CCC2 ZINC000592539311 565280977 /nfs/dbraw/zinc/28/09/77/565280977.db2.gz LIPXGOMXNKMQPX-TZMCWYRMSA-N 1 0 391.313 2.843 20 0 GFADRO O=S(=O)(NC[C@@H]1CCC[N@@H+](CCSc2ccc(F)cc2F)C1)C1CC1 ZINC000660557397 565282230 /nfs/dbraw/zinc/28/22/30/565282230.db2.gz MPTPRLSQNRRNCL-ZDUSSCGKSA-N 1 0 390.521 2.851 20 0 GFADRO C[NH+]1CCN(CCCNC(=O)c2cc(Br)cc3ccccc32)CC1 ZINC000592718014 565290743 /nfs/dbraw/zinc/29/07/43/565290743.db2.gz DPSRAAIVUOVELD-UHFFFAOYSA-N 1 0 390.325 2.970 20 0 GFADRO OCC1([N@H+](C[C@H](O)COc2cc(F)cc(Br)c2)C2CC2)CCC1 ZINC000660770452 565292821 /nfs/dbraw/zinc/29/28/21/565292821.db2.gz FWLYKPQQHVXXKU-HNNXBMFYSA-N 1 0 388.277 2.707 20 0 GFADRO O=C(Nc1nn(CC(F)(F)F)cc1Cl)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000640292042 565294121 /nfs/dbraw/zinc/29/41/21/565294121.db2.gz HEGAOBDWVROGDF-NSHDSACASA-N 1 0 379.814 3.191 20 0 GFADRO C[N@H+]1C[C@H]2CN(Cc3cc(Cl)ccc3I)C[C@H]2C1 ZINC000593027852 565308677 /nfs/dbraw/zinc/30/86/77/565308677.db2.gz XSGFEHQAODDLMN-TXEJJXNPSA-N 1 0 376.669 2.938 20 0 GFADRO CCN(CCC[NH+]1CCCC1)C(=O)Nc1nn(CC(F)(F)F)cc1Cl ZINC000640297325 565295775 /nfs/dbraw/zinc/29/57/75/565295775.db2.gz BRYDNPRZQXTKQH-UHFFFAOYSA-N 1 0 381.830 3.439 20 0 GFADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N1CC[C@H]1c1ccc(Br)cc1 ZINC000660853957 565297005 /nfs/dbraw/zinc/29/70/05/565297005.db2.gz KWEBGCIFGNHJQA-YOEHRIQHSA-N 1 0 395.345 2.541 20 0 GFADRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N1CCOc2cc(Br)ccc2C1 ZINC000660886597 565298348 /nfs/dbraw/zinc/29/83/48/565298348.db2.gz GMTAZOBKISKJFG-MLGOLLRUSA-N 1 0 394.313 2.836 20 0 GFADRO CCCN(C(=O)Cc1cccc(I)c1)[C@H]1CC[N@H+](C)C1 ZINC000592829186 565298967 /nfs/dbraw/zinc/29/89/67/565298967.db2.gz LJXPGQIUPSELRK-HNNXBMFYSA-N 1 0 386.277 2.776 20 0 GFADRO O[C@H](COC[C@@H]1CCCO1)C[NH+]1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000618466598 565301807 /nfs/dbraw/zinc/30/18/07/565301807.db2.gz RMSMFGVILGUVJL-CYDGBPFRSA-N 1 0 379.341 2.606 20 0 GFADRO CC[N@@H+]1C[C@@H](C)N(C(=O)Nc2nnc(C(F)(F)C(F)(F)F)s2)C[C@@H]1C ZINC000640384460 565305054 /nfs/dbraw/zinc/30/50/54/565305054.db2.gz DDSLPURWUSJDNL-JGVFFNPUSA-N 1 0 387.378 3.139 20 0 GFADRO CSCC[C@H]([NH3+])C(=O)N1CCN([C@@H](C)c2nc3ccccc3s2)CC1 ZINC000592962108 565305260 /nfs/dbraw/zinc/30/52/60/565305260.db2.gz WNSCYQOXOIFCTL-KBPBESRZSA-N 1 0 378.567 2.582 20 0 GFADRO CCN(C(=O)Nc1nnc(C(F)(F)C(F)(F)F)s1)[C@@H]1CC[N@H+](CC)C1 ZINC000640388312 565307713 /nfs/dbraw/zinc/30/77/13/565307713.db2.gz XDWXHTCRXRWZBP-MRVPVSSYSA-N 1 0 387.378 3.140 20 0 GFADRO Brc1cccc(-c2noc(CN3CC[C@@H](Cn4ccnn4)C3)n2)c1 ZINC000661148036 565309421 /nfs/dbraw/zinc/30/94/21/565309421.db2.gz WYFWYECQNOOIMM-GFCCVEGCSA-N 1 0 389.257 2.613 20 0 GFADRO COC(=O)c1cc(Br)cc(C(=O)N2[C@H](C)C[N@H+](C)[C@H](C)[C@H]2C)c1 ZINC000593191286 565318172 /nfs/dbraw/zinc/31/81/72/565318172.db2.gz XNRLLINSMFFIRN-IJLUTSLNSA-N 1 0 383.286 2.789 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)N1CCC(n2cc(Br)cn2)CC1 ZINC000661401712 565322382 /nfs/dbraw/zinc/32/23/82/565322382.db2.gz YOZVDOVYTZXWSM-OAHLLOKOSA-N 1 0 398.349 2.865 20 0 GFADRO C[C@H](CO)[C@H]1CCCC[N@@H+]1CC(=O)N(C)Cc1cc(Br)cs1 ZINC000661436086 565323532 /nfs/dbraw/zinc/32/35/32/565323532.db2.gz AAEJSRQIJXRWKT-IUODEOHRSA-N 1 0 389.359 2.952 20 0 GFADRO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)c1cc(Br)cc2[nH]c(=O)[nH]c21 ZINC000618982390 565323808 /nfs/dbraw/zinc/32/38/08/565323808.db2.gz BHRCUWQTELOZSE-NSHDSACASA-N 1 0 395.301 2.881 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)N[C@H](CO)c2cccc(Br)c2)C1 ZINC000661505567 565325662 /nfs/dbraw/zinc/32/56/62/565325662.db2.gz ARXNSEAIHJIPKZ-HUUCEWRRSA-N 1 0 384.318 2.655 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)N[C@H](CO)c2cccc(Br)c2)C1 ZINC000661505568 565326136 /nfs/dbraw/zinc/32/61/36/565326136.db2.gz ARXNSEAIHJIPKZ-LSDHHAIUSA-N 1 0 384.318 2.655 20 0 GFADRO C[C@]1(Cc2ccc(OC(F)(F)F)cc2)CCC[N@@H+]1CCNS(C)(=O)=O ZINC000661616945 565331715 /nfs/dbraw/zinc/33/17/15/565331715.db2.gz XZVZWCKTGRDTFJ-OAHLLOKOSA-N 1 0 380.432 2.531 20 0 GFADRO C[C@H](C(=O)NC(C)(C)C)n1cc([C@H]([NH3+])c2ccc(Br)cc2)nn1 ZINC000640882937 565333587 /nfs/dbraw/zinc/33/35/87/565333587.db2.gz WLBWXFRTRYHTCC-QMTHXVAHSA-N 1 0 380.290 2.564 20 0 GFADRO Cc1cc(NC(=O)[C@@H](C)n2cc(CC[NH+](C)C)nn2)ccc1Br ZINC000640907863 565336237 /nfs/dbraw/zinc/33/62/37/565336237.db2.gz XBSOINMRDYHTKX-GFCCVEGCSA-N 1 0 380.290 2.653 20 0 GFADRO CCC[C@H](C)NC(=O)[C@@H](C)n1cc([C@@H]([NH3+])c2ccc(Br)cc2)nn1 ZINC000640909346 565337252 /nfs/dbraw/zinc/33/72/52/565337252.db2.gz PUSNFFHMVLVCDE-OZVIIMIRSA-N 1 0 394.317 2.955 20 0 GFADRO C[C@@H](O)[C@H]1CCC[N@@H+]1C[C@H](O)COc1ccc(Cl)cc1Br ZINC000661772354 565338051 /nfs/dbraw/zinc/33/80/51/565338051.db2.gz YAGJRPFLMJVOHV-SCDSUCTJSA-N 1 0 378.694 2.687 20 0 GFADRO Cn1cc(C[C@@H]2CCC[C@H]2[NH2+]CC(=O)Nc2ccc(Br)cn2)cn1 ZINC000661775924 565338245 /nfs/dbraw/zinc/33/82/45/565338245.db2.gz DRIBHGYAJIITGE-DZGCQCFKSA-N 1 0 392.301 2.517 20 0 GFADRO C[C@H]([NH2+][C@@H]1C[C@@H](O)C12CCC2)C(=O)N(C)Cc1ccc(Br)cc1 ZINC000661839629 565340302 /nfs/dbraw/zinc/34/03/02/565340302.db2.gz NNFAUWHZDGVQPB-APHBMKBZSA-N 1 0 381.314 2.689 20 0 GFADRO O=C(N[C@@H]1CCC[NH2+]CC1)N1CCO[C@H](c2cccc(Br)c2)C1 ZINC000641053218 565343133 /nfs/dbraw/zinc/34/31/33/565343133.db2.gz QSKUVYJQYBXZQN-CVEARBPZSA-N 1 0 382.302 2.674 20 0 GFADRO CC[C@@](C)([NH3+])c1cn(Cc2cc3c(cc2Br)OCCCO3)nn1 ZINC000641120334 565346808 /nfs/dbraw/zinc/34/68/08/565346808.db2.gz CQUWPNIQMGUBPU-MRXNPFEDSA-N 1 0 381.274 2.834 20 0 GFADRO O=C1CCCN1C[C@H]1CC[N@@H+](C[C@@H](O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000662060426 565348943 /nfs/dbraw/zinc/34/89/43/565348943.db2.gz KYYGWTFVPBPZPI-UONOGXRCSA-N 1 0 387.307 2.677 20 0 GFADRO Cc1cccc(C(=O)NCC23CCC[NH+]2CCC3)c1I ZINC000619573942 565349390 /nfs/dbraw/zinc/34/93/90/565349390.db2.gz FTGUWCPAELSGHG-UHFFFAOYSA-N 1 0 384.261 2.958 20 0 GFADRO O[C@H]1CC[N@@H+](C2CCN(Cc3nc4ccc(Br)cc4o3)CC2)C1 ZINC000662152718 565351594 /nfs/dbraw/zinc/35/15/94/565351594.db2.gz YEODMQFGCBHCNV-AWEZNQCLSA-N 1 0 380.286 2.621 20 0 GFADRO C[C@H](c1ncc(Br)cn1)n1cc(C[C@@H]([NH3+])Cc2ccccc2)nn1 ZINC000641176276 565352431 /nfs/dbraw/zinc/35/24/31/565352431.db2.gz MWVQYICNRUYWKH-DOMZBBRYSA-N 1 0 387.285 2.552 20 0 GFADRO O[C@@H](COc1cc(Cl)ccc1Cl)Cn1cc(C[C@@H]2CCC[NH2+]C2)nn1 ZINC000641199761 565353548 /nfs/dbraw/zinc/35/35/48/565353548.db2.gz CBTHIXFUAPXQPY-SWLSCSKDSA-N 1 0 385.295 2.567 20 0 GFADRO CC[C@@H](c1ccc(Br)cc1)N1CCN(C[C@@H]2C[NH2+]CCO2)CC1 ZINC000662262233 565357875 /nfs/dbraw/zinc/35/78/75/565357875.db2.gz UJCYJJHVMZHGLN-ROUUACIJSA-N 1 0 382.346 2.506 20 0 GFADRO [NH3+]C[C@H]1CCc2ccccc2N1CC(=O)Nc1ccc(Br)cn1 ZINC000662306404 565359089 /nfs/dbraw/zinc/35/90/89/565359089.db2.gz ZHTAKOVHMHWUFW-CQSZACIVSA-N 1 0 375.270 2.563 20 0 GFADRO [NH3+][C@@H]1CCc2ccccc2N(CC(=O)Nc2ccc(Br)cn2)C1 ZINC000662301105 565359130 /nfs/dbraw/zinc/35/91/30/565359130.db2.gz CGHAPEVTABKZKM-CQSZACIVSA-N 1 0 375.270 2.563 20 0 GFADRO C[C@@H](C(=O)Nc1ccc(Br)cc1)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662320930 565360176 /nfs/dbraw/zinc/36/01/76/565360176.db2.gz KNWKXGHQMGOAMW-YOEHRIQHSA-N 1 0 398.345 2.819 20 0 GFADRO C[NH+](C)CCC[C@H]1CN(C[C@@H](O)COc2ccc(Cl)c(Cl)c2)CCO1 ZINC000662319419 565360186 /nfs/dbraw/zinc/36/01/86/565360186.db2.gz MUTCZCQLPNZJJH-ZBFHGGJFSA-N 1 0 391.339 2.776 20 0 GFADRO C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)N(C)[C@H](C[NH3+])C(F)(F)F ZINC000662328014 565360322 /nfs/dbraw/zinc/36/03/22/565360322.db2.gz AKFWWSNVNXKBGN-ZWNOBZJWSA-N 1 0 396.251 2.617 20 0 GFADRO C[NH+](C)CCC[C@@H]1CN(Cc2cc3c(c(Br)c2)OCO3)CCO1 ZINC000662324403 565360563 /nfs/dbraw/zinc/36/05/63/565360563.db2.gz XEQYFJRDYDXGBF-CQSZACIVSA-N 1 0 385.302 2.720 20 0 GFADRO C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)N(C)[C@H](C[NH3+])C(F)(F)F ZINC000662328002 565360686 /nfs/dbraw/zinc/36/06/86/565360686.db2.gz AKFWWSNVNXKBGN-GXFFZTMASA-N 1 0 396.251 2.617 20 0 GFADRO O=C(CNC(=O)c1cc2c(s1)CC[NH2+]C2)Nc1ccc(Br)cc1 ZINC000662392470 565364644 /nfs/dbraw/zinc/36/46/44/565364644.db2.gz DIUFRCPEHDPDSM-UHFFFAOYSA-N 1 0 394.294 2.525 20 0 GFADRO C[NH2+][C@H]1CCCN(C(=O)Cc2ccc(Br)c(Br)c2)C1 ZINC000662406927 565365884 /nfs/dbraw/zinc/36/58/84/565365884.db2.gz NENSPKMXYQIQPK-NSHDSACASA-N 1 0 390.119 2.965 20 0 GFADRO COC(=O)C[C@H](NC(=O)[C@H]1CCC[NH2+]CC1)c1ccc(Br)cc1 ZINC000593901973 565366120 /nfs/dbraw/zinc/36/61/20/565366120.db2.gz LZRKNRLWKMTGOM-ZFWWWQNUSA-N 1 0 383.286 2.559 20 0 GFADRO [NH3+][C@H](CNC(=O)[C@@H]1CCO[C@H]1c1cncc(Br)c1)c1ccccc1 ZINC000662412841 565366188 /nfs/dbraw/zinc/36/61/88/565366188.db2.gz KOMPNYNEXZFNCX-ZACQAIPSSA-N 1 0 390.281 2.738 20 0 GFADRO Cc1ccc(I)c(C(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)c1 ZINC000593911166 565367136 /nfs/dbraw/zinc/36/71/36/565367136.db2.gz FGQZLWCODURKPE-LRDDRELGSA-N 1 0 384.261 2.801 20 0 GFADRO Cc1ccc(I)cc1NC(=O)[C@@H]1C[NH2+]CCC1(F)F ZINC000593909776 565367368 /nfs/dbraw/zinc/36/73/68/565367368.db2.gz STYXLFQOLMLUFM-JTQLQIEISA-N 1 0 380.176 2.783 20 0 GFADRO CN(Cc1cc(Br)ccc1F)C(=O)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC000662429090 565367437 /nfs/dbraw/zinc/36/74/37/565367437.db2.gz IOYSZAYFYGNNOT-JTQLQIEISA-N 1 0 381.249 2.660 20 0 GFADRO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)c2sc3c(c2Br)CNC3)C1 ZINC000662484367 565371600 /nfs/dbraw/zinc/37/16/00/565371600.db2.gz ADBMWNDBRPLSKC-GFCCVEGCSA-N 1 0 398.370 2.918 20 0 GFADRO O=C(c1cc(Br)cc2c1OCCO2)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000662517009 565373777 /nfs/dbraw/zinc/37/37/77/565373777.db2.gz IZQCJGKAAUSINW-ZDUSSCGKSA-N 1 0 395.297 2.682 20 0 GFADRO O=C(c1cc(Br)cc(N2CCCC2)c1)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000662518920 565373960 /nfs/dbraw/zinc/37/39/60/565373960.db2.gz MCBPBXZAZJIEKJ-CXAGYDPISA-N 1 0 378.314 2.873 20 0 GFADRO N[C@H](C(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1)c1ccccc1Br ZINC000662587012 565377959 /nfs/dbraw/zinc/37/79/59/565377959.db2.gz UERRJCNODDCIFZ-PBHICJAKSA-N 1 0 380.330 2.687 20 0 GFADRO CN(CC(C)(C)[NH3+])C(=O)c1sccc1S(=O)(=O)NC1CCCCCC1 ZINC000662608951 565379596 /nfs/dbraw/zinc/37/95/96/565379596.db2.gz TWTFLYNRIQPUMT-UHFFFAOYSA-N 1 0 387.571 2.559 20 0 GFADRO [NH3+]C[C@H]1OCC[C@@H]1C(=O)N1CCC(COc2cc(Cl)cc(Cl)c2)CC1 ZINC000662623938 565379713 /nfs/dbraw/zinc/37/97/13/565379713.db2.gz HHJZRTCXJWJUER-DLBZAZTESA-N 1 0 387.307 2.975 20 0 GFADRO CCO[C@H]1C[C@]([NH3+])(C(=O)NCc2sc(C)cc2Br)C1(C)C ZINC000662667991 565380585 /nfs/dbraw/zinc/38/05/85/565380585.db2.gz FOJFXXJKMBBQFG-WFASDCNBSA-N 1 0 375.332 2.968 20 0 GFADRO O=C(CSCc1ccc(Cl)cc1Cl)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000594393747 565382890 /nfs/dbraw/zinc/38/28/90/565382890.db2.gz OUSLWRJHLIYCAR-UONOGXRCSA-N 1 0 375.321 2.504 20 0 GFADRO C[NH+]1CCC2(CCN(S(=O)(=O)c3cscc3Br)C2)CC1 ZINC000641581332 565385010 /nfs/dbraw/zinc/38/50/10/565385010.db2.gz JIZVDPZYOJVBHX-UHFFFAOYSA-N 1 0 379.345 2.617 20 0 GFADRO O=C(C[NH2+]C[C@H]1CCCO1)N1CCc2[nH]c3ccc(Br)cc3c2C1 ZINC000662863588 565388553 /nfs/dbraw/zinc/38/85/53/565388553.db2.gz IMLXRLCIQVVZLX-CYBMUJFWSA-N 1 0 392.297 2.584 20 0 GFADRO [NH3+]CCc1nc(C(=O)N2CCOC[C@@H]2c2ccc(Br)cc2)cs1 ZINC000662873079 565388679 /nfs/dbraw/zinc/38/86/79/565388679.db2.gz UPVGGEIHQMIHQZ-CQSZACIVSA-N 1 0 396.310 2.621 20 0 GFADRO O=C(Cc1csc(-c2cccc(Br)c2)n1)NCC12CC(C1)C[NH2+]2 ZINC000662922057 565389899 /nfs/dbraw/zinc/38/98/99/565389899.db2.gz GHROFBHPGWONMJ-UHFFFAOYSA-N 1 0 392.322 2.983 20 0 GFADRO [NH3+]CCc1nc(C(=O)N2CCOC[C@@H]2c2cccc(Br)c2)cs1 ZINC000662885488 565389933 /nfs/dbraw/zinc/38/99/33/565389933.db2.gz ZQBZHGITGRBOJW-CQSZACIVSA-N 1 0 396.310 2.621 20 0 GFADRO [NH3+][C@@H]1CN(C(=O)C(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)CC[C@H]1F ZINC000662925823 565390113 /nfs/dbraw/zinc/39/01/13/565390113.db2.gz TZPDKMQISIFKBL-KFWWJZLASA-N 1 0 388.270 2.555 20 0 GFADRO Cc1cccc2cc(S(=O)(=O)NCCCN3CCC[N@@H+](C)CC3)sc21 ZINC000641650018 565390310 /nfs/dbraw/zinc/39/03/10/565390310.db2.gz IMULJCLYAALRSU-UHFFFAOYSA-N 1 0 381.567 2.516 20 0 GFADRO C[NH+](C)CCC[C@H]1CN(c2ncnc(C(F)(F)F)c2Br)CCO1 ZINC000641672131 565393355 /nfs/dbraw/zinc/39/33/55/565393355.db2.gz LZAICBCAAGYLLM-JTQLQIEISA-N 1 0 397.239 2.805 20 0 GFADRO O=C(c1ccsc1Cl)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000663017738 565393643 /nfs/dbraw/zinc/39/36/43/565393643.db2.gz RIXRDEJFDDLFDR-GFCCVEGCSA-N 1 0 379.917 2.554 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+][C@H](CO)CC1CCC1 ZINC000641756081 565397384 /nfs/dbraw/zinc/39/73/84/565397384.db2.gz AJNDVOWHEAUUKM-LRDDRELGSA-N 1 0 399.329 2.603 20 0 GFADRO COc1cc(C[N@H+](C[C@H](C)O)C2CC2)cc(I)c1OC ZINC000594615721 565403046 /nfs/dbraw/zinc/40/30/46/565403046.db2.gz PPLZHLCMUDBSHI-JTQLQIEISA-N 1 0 391.249 2.654 20 0 GFADRO C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000594642124 565403404 /nfs/dbraw/zinc/40/34/04/565403404.db2.gz KSXJHXMKRBTDCN-AAEUAGOBSA-N 1 0 384.307 2.712 20 0 GFADRO C[NH+](C)CCC[C@@H]1CN(C(=O)Cc2cc(F)ccc2Br)CCO1 ZINC000620971461 565403495 /nfs/dbraw/zinc/40/34/95/565403495.db2.gz IPYBZMWTJIHUKX-OAHLLOKOSA-N 1 0 387.293 2.700 20 0 GFADRO C[NH2+][C@H](C)c1cn(Cc2ccc(I)c(Cl)c2)nn1 ZINC000594655342 565404051 /nfs/dbraw/zinc/40/40/51/565404051.db2.gz JZHJMKYEOYDLSB-MRVPVSSYSA-N 1 0 376.629 2.865 20 0 GFADRO CC(C)C(=O)N1CCC([NH2+]C[C@@H](O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000642102350 565405210 /nfs/dbraw/zinc/40/52/10/565405210.db2.gz LKXYBAXNMCWAII-CQSZACIVSA-N 1 0 389.323 2.970 20 0 GFADRO Cc1nc(C(=O)N2CC[NH2+][C@H](C(C)C)C2)nn1-c1c(Cl)cccc1Cl ZINC000621152976 565407905 /nfs/dbraw/zinc/40/79/05/565407905.db2.gz IJRUPEQHLYTPDY-AWEZNQCLSA-N 1 0 382.295 2.953 20 0 GFADRO O=C(C[C@@H]1Sc2ccc(Cl)cc2NC1=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000594701641 565409727 /nfs/dbraw/zinc/40/97/27/565409727.db2.gz SCCBGNYPCJIEBD-BBRMVZONSA-N 1 0 379.913 2.743 20 0 GFADRO COc1cc(CN2CCC[N@H+](C[C@@H]3CCCO3)CC2)c(Br)cn1 ZINC000621246560 565410778 /nfs/dbraw/zinc/41/07/78/565410778.db2.gz IWBPQSIHGSFFRI-HNNXBMFYSA-N 1 0 384.318 2.539 20 0 GFADRO CN([C@H](C[NH3+])C(F)(F)F)S(=O)(=O)c1ccc(Br)c(Cl)c1 ZINC000663310995 565411124 /nfs/dbraw/zinc/41/11/24/565411124.db2.gz KNRKBVVMEGXCCH-SECBINFHSA-N 1 0 395.628 2.613 20 0 GFADRO Cc1csc(-c2ccc(S(=O)(=O)N(C)[C@H](C[NH3+])C(F)(F)F)cc2)n1 ZINC000663310485 565411240 /nfs/dbraw/zinc/41/12/40/565411240.db2.gz VXQGOSXQFFTLAC-GFCCVEGCSA-N 1 0 379.429 2.629 20 0 GFADRO CN([C@H](C[NH3+])C(F)(F)F)S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000663309895 565411433 /nfs/dbraw/zinc/41/14/33/565411433.db2.gz DNOZXKWYUFGVSR-MRVPVSSYSA-N 1 0 384.729 2.869 20 0 GFADRO CC[C@@H](Cc1ccc(Br)cc1)[NH2+]C[C@H](O)COC1CCOCC1 ZINC000663368616 565414792 /nfs/dbraw/zinc/41/47/92/565414792.db2.gz LBMSEGZGOSLCNU-IRXDYDNUSA-N 1 0 386.330 2.916 20 0 GFADRO C[C@H](O)[C@H]([NH2+]C[C@H](O)COc1cccc(Br)c1)c1ccccc1 ZINC000663376732 565416120 /nfs/dbraw/zinc/41/61/20/565416120.db2.gz UOKSHGRKBVFLBY-OWQGQXMQSA-N 1 0 380.282 2.901 20 0 GFADRO C[C@H](O)[C@@H]([NH2+]C[C@@H](O)COc1ccc(Br)cc1)c1ccccc1 ZINC000663376283 565416723 /nfs/dbraw/zinc/41/67/23/565416723.db2.gz QPIXRXCXRXCBFI-FDQGKXFDSA-N 1 0 380.282 2.901 20 0 GFADRO C[C@H](O)[C@H]([NH2+]CCS(=O)(=O)c1cccc(Br)c1)c1ccccc1 ZINC000663376431 565416846 /nfs/dbraw/zinc/41/68/46/565416846.db2.gz RFRWBTAPBWOCKH-GUYCJALGSA-N 1 0 398.322 2.935 20 0 GFADRO O=C(N[C@H]1CCC[NH2+]CC1)C(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000642980050 565419805 /nfs/dbraw/zinc/41/98/05/565419805.db2.gz WKMMMQBILQGTIU-XJKSGUPXSA-N 1 0 384.307 2.915 20 0 GFADRO O=C1CCCN1C[C@H](O)C[NH2+][C@@H]1CCCSc2ccc(Br)cc21 ZINC000663445600 565421397 /nfs/dbraw/zinc/42/13/97/565421397.db2.gz JSLLKYQXHLBUAF-UKRRQHHQSA-N 1 0 399.354 2.949 20 0 GFADRO CCCc1ccc(C[NH2+]Cc2ccccc2S(=O)(=O)N(C)CCO)s1 ZINC000621335667 565421395 /nfs/dbraw/zinc/42/13/95/565421395.db2.gz VGEXBOYUFVNTIV-UHFFFAOYSA-N 1 0 382.551 2.603 20 0 GFADRO COc1cc(CCC[NH2+]Cc2c(Br)cnn2C)cc(OC)c1O ZINC000621391767 565423594 /nfs/dbraw/zinc/42/35/94/565423594.db2.gz SMVFEUPXSOMQLN-UHFFFAOYSA-N 1 0 384.274 2.628 20 0 GFADRO C[C@@H]1CC[N@H+](C[C@@H](O)COc2ccc(Cl)cc2Br)C[C@H]1CO ZINC000621367375 565423617 /nfs/dbraw/zinc/42/36/17/565423617.db2.gz ZRZQOBPOSRPKAQ-MBNYWOFBSA-N 1 0 392.721 2.793 20 0 GFADRO C[C@@]1(NC(=O)Nc2ccc(CCn3cc(Br)cn3)cc2)CC[NH2+]C1 ZINC000663589676 565426526 /nfs/dbraw/zinc/42/65/26/565426526.db2.gz TUFFBRQICXCGRR-QGZVFWFLSA-N 1 0 392.301 2.762 20 0 GFADRO C[NH+](C)CCC[C@@H]1CN(C(=O)NCc2csc(Br)c2)CCO1 ZINC000663705348 565431336 /nfs/dbraw/zinc/43/13/36/565431336.db2.gz QLKFOZXDDHIBBC-CYBMUJFWSA-N 1 0 390.347 2.763 20 0 GFADRO C[NH+](C)CCC[C@H]1CN(C(=O)NCc2cc(Br)cs2)CCO1 ZINC000663704097 565431686 /nfs/dbraw/zinc/43/16/86/565431686.db2.gz LJFRDTYVJJEOGF-ZDUSSCGKSA-N 1 0 390.347 2.763 20 0 GFADRO CCN1C[C@@H](C[NH2+]Cc2cc(Cl)ccc2I)CC1=O ZINC000594950251 565437158 /nfs/dbraw/zinc/43/71/58/565437158.db2.gz RUFUAPWBKWQLFQ-SNVBAGLBSA-N 1 0 392.668 2.903 20 0 GFADRO Brc1ccc2nnc(N3CC[C@H](OCC[NH+]4CCCCC4)C3)n2c1 ZINC000663732669 565432540 /nfs/dbraw/zinc/43/25/40/565432540.db2.gz ZQVUHIPHUFQKGZ-HNNXBMFYSA-N 1 0 394.317 2.573 20 0 GFADRO Cn1cc([C@@H]2C[N@H+](Cc3nc4ccc(Br)cc4o3)C[C@H]2CO)cn1 ZINC000643378765 565432530 /nfs/dbraw/zinc/43/25/30/565432530.db2.gz JFDQWMQDLWFXAX-JSGCOSHPSA-N 1 0 391.269 2.532 20 0 GFADRO O=C(CC[C@@H]1CCC[NH2+]C1)Nc1ncn(Cc2cccc(Br)c2)n1 ZINC000621630634 565434220 /nfs/dbraw/zinc/43/42/20/565434220.db2.gz JBKWFEYIZFBNMZ-ZDUSSCGKSA-N 1 0 392.301 2.807 20 0 GFADRO O[C@]1(C[NH2+][C@@H]2CCc3ccc(I)cc32)CCSC1 ZINC000595012280 565442656 /nfs/dbraw/zinc/44/26/56/565442656.db2.gz MPTMYHVTBRTULL-KGLIPLIRSA-N 1 0 375.275 2.736 20 0 GFADRO O=C(CNC(=O)c1ccc(Cl)c(Cl)c1)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000643597804 565435251 /nfs/dbraw/zinc/43/52/51/565435251.db2.gz ZJBNGLPINHYGBE-CJNGLKHVSA-N 1 0 384.307 2.714 20 0 GFADRO O=C(c1cc2c(cc1Br)OCO2)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000621676662 565436146 /nfs/dbraw/zinc/43/61/46/565436146.db2.gz XPCRJXWIMGBYKD-LBPRGKRZSA-N 1 0 381.270 2.878 20 0 GFADRO O=C(Nc1nc(C2CC[NH2+]CC2)cs1)c1cc(Br)c[nH]c1=O ZINC000621665115 565436405 /nfs/dbraw/zinc/43/64/05/565436405.db2.gz QVARSIZHIRRMQS-UHFFFAOYSA-N 1 0 383.271 2.726 20 0 GFADRO COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]CCc1cn2cc(Br)cc(C)c2n1 ZINC000594946608 565437060 /nfs/dbraw/zinc/43/70/60/565437060.db2.gz QLQUCBCHBLHDAY-NILFDRSVSA-N 1 0 380.286 2.735 20 0 GFADRO C[C@@H](NC(=O)N(CC[NH+](C)C)CC(=O)N(C)C)c1cc(Cl)ccc1Cl ZINC000663858180 565439545 /nfs/dbraw/zinc/43/95/45/565439545.db2.gz NVYGDJRFWXCZPM-GFCCVEGCSA-N 1 0 389.327 2.716 20 0 GFADRO C[C@@H](CN[C@H](c1ccc(Br)cc1)C(F)F)N1CC[NH+](C)CC1 ZINC000621752086 565439838 /nfs/dbraw/zinc/43/98/38/565439838.db2.gz UGBNOJJUTSOKDM-SWLSCSKDSA-N 1 0 376.289 2.981 20 0 GFADRO COC1(C[NH2+]CCc2ccc(I)cc2)CCOCC1 ZINC000594997044 565440968 /nfs/dbraw/zinc/44/09/68/565440968.db2.gz RRHXFXNGTYWLLR-UHFFFAOYSA-N 1 0 375.250 2.619 20 0 GFADRO OCCCSCC[NH2+][C@@H]1CCc2ccc(I)cc21 ZINC000595013857 565442178 /nfs/dbraw/zinc/44/21/78/565442178.db2.gz UDPQCSAABCKQTC-CQSZACIVSA-N 1 0 377.291 2.984 20 0 GFADRO O=C(C[NH2+][C@H]1CCc2ccc(I)cc21)NCC(F)(F)F ZINC000595007581 565442511 /nfs/dbraw/zinc/44/25/11/565442511.db2.gz MSGWLZYRAPACAC-NSHDSACASA-N 1 0 398.166 2.547 20 0 GFADRO O=C(C[NH2+]C1CC(CF)(CF)C1)Nc1ccc(I)cc1 ZINC000595040338 565444647 /nfs/dbraw/zinc/44/46/47/565444647.db2.gz UISPXJNPLVTWAI-UHFFFAOYSA-N 1 0 394.203 2.907 20 0 GFADRO Cc1nc(C)c(Br)c(NC[C@H]2CS(=O)(=O)c3ccccc32)n1 ZINC000663950000 565445969 /nfs/dbraw/zinc/44/59/69/565445969.db2.gz FVECEDPDVFRZDF-NSHDSACASA-N 1 0 382.283 2.839 20 0 GFADRO CN1CCO[C@H]([C@H]([NH2+][C@@H]2CCC[C@H]([S@@](C)=O)C2)c2ccc(Cl)cc2)C1 ZINC000595070614 565447166 /nfs/dbraw/zinc/44/71/66/565447166.db2.gz NLRHSYYNTSSNOV-QSYIVRIZSA-N 1 0 384.973 2.991 20 0 GFADRO CN1CC[NH+](CC2CCN(C(=O)c3cscc3C(F)(F)F)CC2)CC1 ZINC000621880356 565447418 /nfs/dbraw/zinc/44/74/18/565447418.db2.gz BLWLXYZTNPJSHX-UHFFFAOYSA-N 1 0 375.460 2.867 20 0 GFADRO C[NH+](C)CCN(Cc1ccccc1F)C(=O)c1cc(Br)c[nH]c1=O ZINC000621920706 565448568 /nfs/dbraw/zinc/44/85/68/565448568.db2.gz LTGUTSFBLGKOEI-UHFFFAOYSA-N 1 0 396.260 2.893 20 0 GFADRO Brc1cnc(C2CC2)nc1N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000664011604 565448901 /nfs/dbraw/zinc/44/89/01/565448901.db2.gz PTHICADXNZQUAT-UHFFFAOYSA-N 1 0 381.318 2.808 20 0 GFADRO CC[NH+]1CCC(N2CCCN(c3nc(C)nc(C)c3Br)CC2)CC1 ZINC000664026755 565449401 /nfs/dbraw/zinc/44/94/01/565449401.db2.gz BTGKLXDHXXVILC-UHFFFAOYSA-N 1 0 396.377 2.852 20 0 GFADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)N1CC(C)(C)c2ccc(Br)cc21 ZINC000664083161 565451957 /nfs/dbraw/zinc/45/19/57/565451957.db2.gz NVYHLVUCJCGIKR-CQSZACIVSA-N 1 0 395.345 2.502 20 0 GFADRO O=C(NCc1cc(Br)ccc1OC(F)F)[C@H]1C[NH2+]CCC1(F)F ZINC000644016383 565455251 /nfs/dbraw/zinc/45/52/51/565455251.db2.gz BNAVBJGEVYWTQU-SNVBAGLBSA-N 1 0 399.182 2.912 20 0 GFADRO [NH3+][C@@]12CCC[C@@H]1CN(S(=O)(=O)c1cc(Cl)ccc1OC(F)(F)F)C2 ZINC000622014655 565455617 /nfs/dbraw/zinc/45/56/17/565455617.db2.gz JEIAXKHBVFMLPO-NOZJJQNGSA-N 1 0 384.807 2.741 20 0 GFADRO CN(CCC[NH3+])C(=O)c1nn(-c2cccc(Br)c2)c2c1CCCC2 ZINC000644068430 565456590 /nfs/dbraw/zinc/45/65/90/565456590.db2.gz XWKDZJFUQRQZFO-UHFFFAOYSA-N 1 0 391.313 2.934 20 0 GFADRO CC1(C)C[NH2+][C@@H]1C(=O)NCc1cc(Cl)ccc1I ZINC000595255636 565459112 /nfs/dbraw/zinc/45/91/12/565459112.db2.gz HDVGBKOOGAQLAM-LLVKDONJSA-N 1 0 378.641 2.559 20 0 GFADRO CC[C@H]([NH2+]C)C(=O)Nc1ccc(Br)c(I)c1 ZINC000595937155 565499870 /nfs/dbraw/zinc/49/98/70/565499870.db2.gz QRPQPUDELIJRQK-JTQLQIEISA-N 1 0 397.054 2.990 20 0 GFADRO COc1ccccc1[C@H]([NH3+])CNC(=O)[C@H]1COc2ccc(Br)cc21 ZINC000644091549 565459201 /nfs/dbraw/zinc/45/92/01/565459201.db2.gz XQUPBQPMJBKNJO-LSDHHAIUSA-N 1 0 391.265 2.750 20 0 GFADRO C[NH+](C)C[C@@H](NC(=O)c1cc(Br)c[nH]c1=O)c1ccc(F)cc1 ZINC000622052850 565459587 /nfs/dbraw/zinc/45/95/87/565459587.db2.gz BOOFAPGGCWVKIP-CQSZACIVSA-N 1 0 382.233 2.722 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H](CNC(=O)[C@H]2CC(=O)N(c3cc(Cl)cc(Cl)c3)C2)C1 ZINC000644136684 565459854 /nfs/dbraw/zinc/45/98/54/565459854.db2.gz IRMZVSAOUMKQFW-TYNCELHUSA-N 1 0 384.307 2.980 20 0 GFADRO C[NH2+]C[C@H](C)NC(=O)N[C@H](C)CCc1ccc(I)cc1 ZINC000595263209 565460486 /nfs/dbraw/zinc/46/04/86/565460486.db2.gz QHKNALALWDKVIP-NEPJUHHUSA-N 1 0 389.281 2.519 20 0 GFADRO O=C([C@H]1C[NH2+]CCC1(F)F)N1CCc2c(Br)ccc(F)c2C1 ZINC000644155528 565461205 /nfs/dbraw/zinc/46/12/05/565461205.db2.gz SIMCWLQLYQHYLW-LLVKDONJSA-N 1 0 377.204 2.718 20 0 GFADRO C[N@H+]1C[C@H]2[C@@H](CCN2S(=O)(=O)c2ccc3cc(Br)ccc3c2)C1 ZINC000644300214 565471227 /nfs/dbraw/zinc/47/12/27/565471227.db2.gz LQJSOVYPNJLDNH-YOEHRIQHSA-N 1 0 395.322 2.927 20 0 GFADRO CCC[N@H+](C)CC(C)(C)NS(=O)(=O)c1cccc(Cl)c1C(=O)OC ZINC000595382506 565471456 /nfs/dbraw/zinc/47/14/56/565471456.db2.gz SUPKSAIVXYSFFM-UHFFFAOYSA-N 1 0 376.906 2.525 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc3c(cc2Br)OCO3)[C@H](C)C1 ZINC000622812430 565476113 /nfs/dbraw/zinc/47/61/13/565476113.db2.gz UEIPEXKASBUIGI-BXUZGUMPSA-N 1 0 383.286 2.980 20 0 GFADRO C[C@@H]1CN(CCNC(=O)N[C@@H]2C[C@H]2c2cccc(Br)c2)[C@H](C)CO1 ZINC000664777233 565478733 /nfs/dbraw/zinc/47/87/33/565478733.db2.gz AHOOWBHXRWSVJW-UTJXIGIESA-N 1 0 396.329 2.713 20 0 GFADRO CC[C@@H](CN1CCCC1)[NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000644569471 565482894 /nfs/dbraw/zinc/48/28/94/565482894.db2.gz RHODJGNRHCDBOB-JKSUJKDBSA-N 1 0 389.309 2.792 20 0 GFADRO CN(C)C(=O)[C@@H]1CCC[C@@H]([NH2+]C[C@@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000644567997 565483049 /nfs/dbraw/zinc/48/30/49/565483049.db2.gz XORYDKVTIUQHHT-BPLDGKMQSA-N 1 0 389.323 2.970 20 0 GFADRO O[C@H](C[NH2+]CCOc1ncccc1F)COc1ccc(Cl)c(Cl)c1 ZINC000644604333 565483620 /nfs/dbraw/zinc/48/36/20/565483620.db2.gz SHDLCNAVEWDMAV-LLVKDONJSA-N 1 0 375.227 2.936 20 0 GFADRO CO[C@@](C)(C[NH2+]CCS(=O)(=O)c1cccc(Br)c1)C1CC1 ZINC000644651579 565487224 /nfs/dbraw/zinc/48/72/24/565487224.db2.gz ARRUKLGVQMBZOS-HNNXBMFYSA-N 1 0 376.316 2.628 20 0 GFADRO NC(=O)Cc1ccc(C[NH2+]C[C@H](O)COc2c(Cl)cccc2Cl)cc1 ZINC000644649123 565487460 /nfs/dbraw/zinc/48/74/60/565487460.db2.gz DHMSRQIIZKHJCO-AWEZNQCLSA-N 1 0 383.275 2.551 20 0 GFADRO CC(C)(CC[NH2+]C[C@@H](O)COc1ccc(Cl)c(Cl)c1)S(C)(=O)=O ZINC000644670459 565488610 /nfs/dbraw/zinc/48/86/10/565488610.db2.gz SWLUCTUSSIZDHR-LLVKDONJSA-N 1 0 384.325 2.536 20 0 GFADRO COC(=O)[C@H](c1ccccc1Br)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000595895251 565496375 /nfs/dbraw/zinc/49/63/75/565496375.db2.gz GOSDRJITDQDNFD-YOEHRIQHSA-N 1 0 381.314 2.985 20 0 GFADRO C[C@H](CC(=O)c1cccc(Br)c1)C(=O)N1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC000644811814 565496425 /nfs/dbraw/zinc/49/64/25/565496425.db2.gz BQVNKLOXRUFMOS-IVMMDQJWSA-N 1 0 379.298 2.821 20 0 GFADRO Cc1c(C(=O)N2CC[C@@H]3C[N@@H+](C)C[C@@H]32)cnn1-c1ccc(Br)cc1 ZINC000644813018 565496444 /nfs/dbraw/zinc/49/64/44/565496444.db2.gz FGVRULISSXKORJ-DYVFJYSZSA-N 1 0 389.297 2.719 20 0 GFADRO C[N@@H+]1C[C@H]2CCN(Cc3ncc(Br)cc3Br)[C@H]2C1 ZINC000644841145 565497231 /nfs/dbraw/zinc/49/72/31/565497231.db2.gz NNCSEFIQYHQGBX-RNCFNFMXSA-N 1 0 375.108 2.743 20 0 GFADRO Cn1ccnc1CN1CCN(C(=O)NCc2cc(Cl)cc(Cl)c2)CC1 ZINC000665349896 565498703 /nfs/dbraw/zinc/49/87/03/565498703.db2.gz YDGOCEXEUGMLSL-UHFFFAOYSA-N 1 0 382.295 2.754 20 0 GFADRO [NH3+][C@H](C(=O)NCc1cc(Cl)ccc1I)C1CCC1 ZINC000595936547 565500140 /nfs/dbraw/zinc/50/01/40/565500140.db2.gz BZYMQZHZVDNGRX-LBPRGKRZSA-N 1 0 378.641 2.688 20 0 GFADRO O=C(CC1CC[NH2+]CC1)NCc1cc(Cl)ccc1I ZINC000595937232 565500278 /nfs/dbraw/zinc/50/02/78/565500278.db2.gz FSSFOUBEGYVQTF-UHFFFAOYSA-N 1 0 392.668 2.951 20 0 GFADRO C[NH2+]C[C@H](C)NC(=O)c1cc(I)cc(C(F)(F)F)c1 ZINC000595982344 565503612 /nfs/dbraw/zinc/50/36/12/565503612.db2.gz IRGPNLQMIVJZIK-ZETCQYMHSA-N 1 0 386.155 2.648 20 0 GFADRO CC(C)C[NH+]1CCN(C(=O)c2cc(Br)cc3c2OCCO3)CC1 ZINC000665530776 565503897 /nfs/dbraw/zinc/50/38/97/565503897.db2.gz BALBEQBRYDWACE-UHFFFAOYSA-N 1 0 383.286 2.634 20 0 GFADRO CNC(=O)COc1cccc(C[NH2+]Cc2cc(C)c(Br)cn2)c1 ZINC000623363464 565505359 /nfs/dbraw/zinc/50/53/59/565505359.db2.gz VREDYFKSCIUEHX-UHFFFAOYSA-N 1 0 378.270 2.567 20 0 GFADRO COC(=O)c1sc2c(c1Br)CN(C(=O)c1ccc(C[NH3+])cc1)C2 ZINC000596006605 565505763 /nfs/dbraw/zinc/50/57/63/565505763.db2.gz YDWILZKTAJTNHM-UHFFFAOYSA-N 1 0 395.278 2.912 20 0 GFADRO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)N(C)Cc1ccc(Br)cc1 ZINC000665637219 565506303 /nfs/dbraw/zinc/50/63/03/565506303.db2.gz YECWZHGVJAJAPN-HNNXBMFYSA-N 1 0 399.377 2.863 20 0 GFADRO OCC1(C[NH2+]Cc2cc(Cl)cc(Cl)c2OCCN2CCOCC2)CC1 ZINC000623438627 565511272 /nfs/dbraw/zinc/51/12/72/565511272.db2.gz FVPACXHBRHPWOP-UHFFFAOYSA-N 1 0 389.323 2.567 20 0 GFADRO CCN1CCN(C(=O)[C@@H](C)[NH2+][C@H](C)c2ccc(F)c(Br)c2)CC1 ZINC000645193224 565515965 /nfs/dbraw/zinc/51/59/65/565515965.db2.gz IFILDZUYTUDSBR-CHWSQXEVSA-N 1 0 386.309 2.791 20 0 GFADRO O=C(c1cc(Br)cc2c1OCCO2)N1CC[NH+](C2CCCC2)CC1 ZINC000666032190 565519874 /nfs/dbraw/zinc/51/98/74/565519874.db2.gz KCPDANFVIDSIOF-UHFFFAOYSA-N 1 0 395.297 2.921 20 0 GFADRO Cc1ccc(C[NH2+][C@@H]2CCN(c3ccc4nncn4n3)C2)cc1Br ZINC000623652408 565522809 /nfs/dbraw/zinc/52/28/09/565522809.db2.gz FMZNAEMGBJOISG-CQSZACIVSA-N 1 0 387.285 2.564 20 0 GFADRO C[C@@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH2+][C@H]1C[C@H](C(N)=O)C1 ZINC000623661799 565524323 /nfs/dbraw/zinc/52/43/23/565524323.db2.gz DGSVBTGXIBYWSF-QXEWZRGKSA-N 1 0 377.794 2.929 20 0 GFADRO C[NH+](C)CCn1cc(NC(=O)N[C@@H](CO)c2cccc(Cl)c2Cl)cn1 ZINC000666239283 565527772 /nfs/dbraw/zinc/52/77/72/565527772.db2.gz VUVHAWULRQVEFH-AWEZNQCLSA-N 1 0 386.283 2.607 20 0 GFADRO Brc1ccc(C[NH2+]C[C@H]2CN(Cc3ccncc3)CCO2)cc1 ZINC000623780614 565530018 /nfs/dbraw/zinc/53/00/18/565530018.db2.gz RDEWEUQUEYNXHA-SFHVURJKSA-N 1 0 376.298 2.835 20 0 GFADRO Brc1csc(C[NH2+]C[C@@H]2CN(Cc3ccncc3)CCO2)c1 ZINC000623780631 565530206 /nfs/dbraw/zinc/53/02/06/565530206.db2.gz ROHZBDPNNOJKTP-OAHLLOKOSA-N 1 0 382.327 2.896 20 0 GFADRO O=S(=O)(CCC[C@H]1CCOC1)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000645503741 565533065 /nfs/dbraw/zinc/53/30/65/565533065.db2.gz MMRMKQHVRVHEGC-IRXDYDNUSA-N 1 0 386.583 2.696 20 0 GFADRO O=S1(=O)CCC(O)(C[NH2+][C@H]2CCCC[C@H]2Sc2ccc(F)cc2)CC1 ZINC000623897596 565535146 /nfs/dbraw/zinc/53/51/46/565535146.db2.gz PQZHMHYUGZRZGT-DLBZAZTESA-N 1 0 387.542 2.758 20 0 GFADRO O=C(NCCCCn1cc(Br)cn1)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000623967936 565537825 /nfs/dbraw/zinc/53/78/25/565537825.db2.gz NSQXJYNQTMOWKS-INIZCTEOSA-N 1 0 398.349 2.742 20 0 GFADRO O=S(=O)(c1ncccc1C(F)(F)F)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000645566191 565539443 /nfs/dbraw/zinc/53/94/43/565539443.db2.gz CYXDGYHXSMOAKJ-CYBMUJFWSA-N 1 0 377.432 2.597 20 0 GFADRO Cc1cccc2cc(S(=O)(=O)NCCN3CCC([NH+](C)C)CC3)sc21 ZINC000645581358 565541361 /nfs/dbraw/zinc/54/13/61/565541361.db2.gz KTNOJDDDOZFMIO-UHFFFAOYSA-N 1 0 381.567 2.514 20 0 GFADRO C[C@@H]([NH2+][C@@H]1CCCC[C@H]1NS(C)(=O)=O)c1ccccc1Br ZINC000624136256 565545032 /nfs/dbraw/zinc/54/50/32/565545032.db2.gz CMIDXQJPEZUNCZ-KCPJHIHWSA-N 1 0 375.332 2.960 20 0 GFADRO CCC(F)(F)CN[C@H](C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000624148039 565545608 /nfs/dbraw/zinc/54/56/08/565545608.db2.gz STGNZFXSFZYZPF-CQSZACIVSA-N 1 0 377.501 2.613 20 0 GFADRO FC(F)(F)c1cc(C[NH2+]C2CCN(CCN3CCOCC3)CC2)cs1 ZINC000624260429 565548967 /nfs/dbraw/zinc/54/89/67/565548967.db2.gz MYSDTBDXPALCMG-UHFFFAOYSA-N 1 0 377.476 2.653 20 0 GFADRO C[C@@H]([NH2+]C[C@@H]1CN(Cc2ccncc2)CCO1)c1cncc(Br)c1 ZINC000624264055 565550152 /nfs/dbraw/zinc/55/01/52/565550152.db2.gz RNZMVPKGZVBAQQ-RDTXWAMCSA-N 1 0 391.313 2.791 20 0 GFADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cc(Br)cc(C)c3C)C2)CC1 ZINC000597167316 565553838 /nfs/dbraw/zinc/55/38/38/565553838.db2.gz UOYWAAKDANDCRN-QGZVFWFLSA-N 1 0 394.357 2.918 20 0 GFADRO COc1ccc(Br)c(NC(=O)NCC(C)(C)N2CC[NH+](C)CC2)c1 ZINC000624394309 565555378 /nfs/dbraw/zinc/55/53/78/565555378.db2.gz RLGTUJZVEDQRFP-UHFFFAOYSA-N 1 0 399.333 2.605 20 0 GFADRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2cc3cc(F)ccc3o2)CC[C@@H]1C(F)(F)F ZINC000624392238 565555543 /nfs/dbraw/zinc/55/55/43/565555543.db2.gz MGPXNGYXNSRYOY-PWSUYJOCSA-N 1 0 380.363 2.720 20 0 GFADRO COC(=O)[C@@H]1OCC[C@@H]1[NH2+]Cc1ccc(Br)c(Br)c1 ZINC000597193433 565555792 /nfs/dbraw/zinc/55/57/92/565555792.db2.gz RXVMAQFVNNNHAT-NWDGAFQWSA-N 1 0 393.075 2.632 20 0 GFADRO OCCOCC[N@H+](Cc1cccc(I)c1)C1CCC1 ZINC000597205821 565555946 /nfs/dbraw/zinc/55/59/46/565555946.db2.gz KEQLRGCIGVZPNT-UHFFFAOYSA-N 1 0 375.250 2.655 20 0 GFADRO Cc1nc(-c2ccc(S(=O)(=O)N3C[C@@]4(C)C[NH2+]C[C@@]4(C)C3)s2)cs1 ZINC000624412351 565556860 /nfs/dbraw/zinc/55/68/60/565556860.db2.gz WAIKJFMKRNRMFE-IYBDPMFKSA-N 1 0 383.564 2.800 20 0 GFADRO CS[C@H]1CN(C(=O)c2nn(C(C)(C)C)cc2Br)C[C@H]1[NH+](C)C ZINC000597446739 565561369 /nfs/dbraw/zinc/56/13/69/565561369.db2.gz QXLNAGQRQXHYNZ-NEPJUHHUSA-N 1 0 389.363 2.518 20 0 GFADRO CCC[N@@H+]1CC[C@@H](NC(=O)Nc2ccc3nccnc3c2Br)C1 ZINC000667079815 565568373 /nfs/dbraw/zinc/56/83/73/565568373.db2.gz CAOZYTHFROHAAQ-LLVKDONJSA-N 1 0 378.274 2.998 20 0 GFADRO CC[NH+]1CCC(CNC(=O)c2cc(Br)cc3c2OCCO3)CC1 ZINC000667112251 565570177 /nfs/dbraw/zinc/57/01/77/565570177.db2.gz YEWAUMFXVMQBFF-UHFFFAOYSA-N 1 0 383.286 2.682 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)N(CC[NH+](C)C)Cc2ccc(Br)cc2)CO1 ZINC000645890946 565571822 /nfs/dbraw/zinc/57/18/22/565571822.db2.gz GTYJSZIMYHENDS-CZUORRHYSA-N 1 0 384.318 2.700 20 0 GFADRO CN(Cc1cc(Br)ccc1Cl)C(=O)NC[C@H]1COCCN1C ZINC000624732380 565573519 /nfs/dbraw/zinc/57/35/19/565573519.db2.gz QZHRAJDSRFRSDY-ZDUSSCGKSA-N 1 0 390.709 2.575 20 0 GFADRO CC[C@@H](Cc1ccccc1Br)N(C)C(=O)NC[C@H]1COCCN1C ZINC000624730653 565574113 /nfs/dbraw/zinc/57/41/13/565574113.db2.gz NGCXYSLVKXTDCI-HOTGVXAUSA-N 1 0 398.345 2.742 20 0 GFADRO CCC(F)(F)C(C)(C)CS(=O)(=O)NCC(C)(C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000624817938 565578747 /nfs/dbraw/zinc/57/87/47/565578747.db2.gz IYIHNMBBZWUCER-OKILXGFUSA-N 1 0 384.533 2.865 20 0 GFADRO O=C(Nc1cnn(-c2ccccc2Br)c1)N[C@H]1CCC[NH2+]CC1 ZINC000667276244 565580095 /nfs/dbraw/zinc/58/00/95/565580095.db2.gz YMQMZFWGXJHROS-LBPRGKRZSA-N 1 0 378.274 2.898 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)c(NC(=O)N(C)C2C[NH2+]C2)c1C ZINC000667287877 565580507 /nfs/dbraw/zinc/58/05/07/565580507.db2.gz LHGWILXBNYPHSX-UHFFFAOYSA-N 1 0 378.274 2.687 20 0 GFADRO O=C(NC[C@H]1CCCC[NH2+]1)Nc1ccnn1Cc1ccc(Br)cc1 ZINC000667429040 565586604 /nfs/dbraw/zinc/58/66/04/565586604.db2.gz PSHQKBSEJUYWRG-OAHLLOKOSA-N 1 0 392.301 2.958 20 0 GFADRO CNC(=O)[C@]1(C(F)(F)F)CC[N@H+](CCC(=O)Nc2ccc(Cl)cc2)C1 ZINC000646111922 565587620 /nfs/dbraw/zinc/58/76/20/565587620.db2.gz ARZFEVMOVSPTRY-HNNXBMFYSA-N 1 0 377.794 2.669 20 0 GFADRO C[C@@H](CNC(=O)[C@@H]1C[C@H]1C1CC[NH2+]CC1)Oc1ccc(Br)cc1 ZINC000646116121 565588169 /nfs/dbraw/zinc/58/81/69/565588169.db2.gz CYYNZTWRCNRYNU-AFAVFJNCSA-N 1 0 381.314 2.968 20 0 GFADRO CCn1c(CNC(=O)N[C@@H](C)C[C@@H](C)[NH3+])nc2cc(Br)ccc21 ZINC000646192503 565590421 /nfs/dbraw/zinc/59/04/21/565590421.db2.gz GYBMXKXFFCFCII-MNOVXSKESA-N 1 0 382.306 2.744 20 0 GFADRO O=C(Nc1ccc(C(F)(F)F)cc1Cl)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000667542186 565593163 /nfs/dbraw/zinc/59/31/63/565593163.db2.gz MSWHUGNQVGNWGZ-NOZJJQNGSA-N 1 0 375.778 2.508 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)C(=O)N1CC[C@H]([NH3+])[C@H](CC)C1 ZINC000667550231 565594661 /nfs/dbraw/zinc/59/46/61/565594661.db2.gz IEKIAXPZLKUMJX-OCCSQVGLSA-N 1 0 382.302 2.536 20 0 GFADRO C[C@H](CCCC[NH3+])NC(=O)C(=O)Nc1ccccc1SCC(F)(F)F ZINC000667621981 565598490 /nfs/dbraw/zinc/59/84/90/565598490.db2.gz AMJHAIFIVXBTDP-LLVKDONJSA-N 1 0 377.432 2.913 20 0 GFADRO CC(C)[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000646362010 565599995 /nfs/dbraw/zinc/59/99/95/565599995.db2.gz HRKLMNSBSUSIHI-CRAIPNDOSA-N 1 0 383.945 2.758 20 0 GFADRO C[N@@H+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)CCc1ccc(Br)cc1 ZINC000646446365 565603443 /nfs/dbraw/zinc/60/34/43/565603443.db2.gz ZPVKJUPTEJASAA-SJORKVTESA-N 1 0 381.314 2.703 20 0 GFADRO C[N@@H+]1CCC[C@H]1[C@@H]1COCCN1C(=O)CCc1cc(F)ccc1Br ZINC000646447332 565603625 /nfs/dbraw/zinc/60/36/25/565603625.db2.gz TUPXISVADUWLHC-IRXDYDNUSA-N 1 0 399.304 2.842 20 0 GFADRO O[C@H](C[NH2+]C1(c2cccc(Br)c2)CCOCC1)CC1(O)CCC1 ZINC000625233863 565609079 /nfs/dbraw/zinc/60/90/79/565609079.db2.gz AIKWQTXPUAQRGL-INIZCTEOSA-N 1 0 384.314 2.710 20 0 GFADRO [NH3+]CC[C@@H](NC(=O)NC[C@H]1CCN(c2ccc(Cl)cc2)C1)C(F)(F)F ZINC000667865416 565609652 /nfs/dbraw/zinc/60/96/52/565609652.db2.gz BUFISSOAPOWGFN-BXUZGUMPSA-N 1 0 378.826 2.745 20 0 GFADRO CCC[N@@H+]1CC[C@H](NC(=O)c2ccc(I)c(F)c2)C1 ZINC000598342535 565610973 /nfs/dbraw/zinc/61/09/73/565610973.db2.gz OQQKOHXLAKUMEY-NSHDSACASA-N 1 0 376.213 2.644 20 0 GFADRO O=C(Nc1cccc(Br)c1F)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000667916915 565612770 /nfs/dbraw/zinc/61/27/70/565612770.db2.gz RXAIBOOCKFXYRT-GFCCVEGCSA-N 1 0 386.265 2.963 20 0 GFADRO C[NH+]1CCC2(CC1)CN(C(=O)Nc1cccc(Br)c1F)CCO2 ZINC000667918169 565613095 /nfs/dbraw/zinc/61/30/95/565613095.db2.gz WUJFUGZIAFRUSH-UHFFFAOYSA-N 1 0 386.265 2.917 20 0 GFADRO CC[C@H](C)[N@H+](C)CCNC(=O)[C@@H]1CCO[C@H]1c1cncc(Br)c1 ZINC000668012224 565618591 /nfs/dbraw/zinc/61/85/91/565618591.db2.gz WCZALDXAVBPECX-MAZHCROVSA-N 1 0 384.318 2.768 20 0 GFADRO COc1ccc(Br)cc1C1(C(=O)N2CC[C@H]3C[N@H+](C)C[C@@H]32)CC1 ZINC000668005696 565618902 /nfs/dbraw/zinc/61/89/02/565618902.db2.gz JFRZCDVQEAGSBO-WFASDCNBSA-N 1 0 379.298 2.652 20 0 GFADRO COCC[N@H+](C)CCCNC(=O)Nc1ccc(F)c(Br)c1F ZINC000668046241 565625712 /nfs/dbraw/zinc/62/57/12/565625712.db2.gz PCGSDZQIDPNRDZ-UHFFFAOYSA-N 1 0 380.233 2.817 20 0 GFADRO CC(C)[C@@H]1CN(C(=O)c2ccc(I)c(F)c2)CC[NH2+]1 ZINC000598576602 565628014 /nfs/dbraw/zinc/62/80/14/565628014.db2.gz XKKWEXHTKGQBGH-ZDUSSCGKSA-N 1 0 376.213 2.500 20 0 GFADRO C[C@@H](Cc1ccc(Cl)c(C(F)(F)F)c1)[NH2+]C1CC(NS(C)(=O)=O)C1 ZINC000668110160 565628575 /nfs/dbraw/zinc/62/85/75/565628575.db2.gz YSCNMGCFSLLOTI-GCVQQVDUSA-N 1 0 384.851 2.960 20 0 GFADRO C[N@@H+]1CCCC[C@@H](CNS(=O)(=O)CCc2ccccc2Br)C1 ZINC000625425279 565629043 /nfs/dbraw/zinc/62/90/43/565629043.db2.gz OQHMCVDAMGDLLV-AWEZNQCLSA-N 1 0 389.359 2.643 20 0 GFADRO COc1ccc(Br)c(CC(=O)N(CC[NH3+])Cc2ccccc2)c1 ZINC000646969205 565629530 /nfs/dbraw/zinc/62/95/30/565629530.db2.gz YRCKCXHDZOMBIL-UHFFFAOYSA-N 1 0 377.282 2.988 20 0 GFADRO COc1ccc(Br)cc1C(=O)CCC(=O)N[C@H]1CCC[NH2+]CC1 ZINC000646985245 565630925 /nfs/dbraw/zinc/63/09/25/565630925.db2.gz VBRGKNSGPSLSDI-ZDUSSCGKSA-N 1 0 383.286 2.679 20 0 GFADRO Cc1csc(C(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)c1I ZINC000598666860 565632835 /nfs/dbraw/zinc/63/28/35/565632835.db2.gz ALHMQKKTWUMMGI-TVQRCGJNSA-N 1 0 376.263 2.615 20 0 GFADRO Cc1cc(Br)ccc1CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000647077249 565635295 /nfs/dbraw/zinc/63/52/95/565635295.db2.gz CUCABEYQZRZJKY-AEFFLSMTSA-N 1 0 381.314 2.655 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)c2c[nH]c3ccc(Br)cc23)CC12CCOCC2 ZINC000647079224 565635819 /nfs/dbraw/zinc/63/58/19/565635819.db2.gz IFZCURUZNPVODC-LBPRGKRZSA-N 1 0 392.297 2.758 20 0 GFADRO Cc1cccc(CC(=O)N(C)CC[N@H+](C)C2CCN(C)CC2)c1Br ZINC000625561048 565638737 /nfs/dbraw/zinc/63/87/37/565638737.db2.gz RNIGVBSHIYUWJS-UHFFFAOYSA-N 1 0 396.373 2.784 20 0 GFADRO [NH3+]C1CCC(NS(=O)(=O)Cc2cc(Cl)ccc2Br)CC1 ZINC000647204476 565645443 /nfs/dbraw/zinc/64/54/43/565645443.db2.gz OTEFJSGFGKYECD-UHFFFAOYSA-N 1 0 381.723 2.792 20 0 GFADRO Brc1cnn(CCCC[NH2+]Cc2ccnn2-c2ccccn2)c1 ZINC000647207709 565645647 /nfs/dbraw/zinc/64/56/47/565645647.db2.gz IAWGUMVRIHMLJV-UHFFFAOYSA-N 1 0 375.274 2.796 20 0 GFADRO Brc1ccc(-n2cc(C[N@@H+]3CC[C@@H](Cn4ccnn4)C3)cn2)cc1 ZINC000668451784 565646816 /nfs/dbraw/zinc/64/68/16/565646816.db2.gz MKPZBZXVENIMRS-CQSZACIVSA-N 1 0 387.285 2.748 20 0 GFADRO OC1CCN(CC[NH2+]Cc2cc(OC(F)F)ccc2Br)CC1 ZINC000647215808 565647582 /nfs/dbraw/zinc/64/75/82/565647582.db2.gz HTRLPXAXZQNTJT-UHFFFAOYSA-N 1 0 379.245 2.597 20 0 GFADRO O=S(=O)(c1ccc(F)c(C(F)(F)F)c1)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000647237731 565648579 /nfs/dbraw/zinc/64/85/79/565648579.db2.gz RQPLSHQFCCMZDQ-IAQYHMDHSA-N 1 0 380.407 2.997 20 0 GFADRO O=S(=O)(c1cc(F)ccc1Br)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647238851 565648626 /nfs/dbraw/zinc/64/86/26/565648626.db2.gz WSBZONMQBIDUMA-RISCZKNCSA-N 1 0 391.306 2.741 20 0 GFADRO CC[C@@H]([NH2+]Cc1ccc2c(c1)sc(=O)n2C)C(=O)NCc1cccs1 ZINC000647241060 565648782 /nfs/dbraw/zinc/64/87/82/565648782.db2.gz CIKMGMRXEHZDGA-CQSZACIVSA-N 1 0 375.519 2.846 20 0 GFADRO CC(C)[C@H]1CN(S(=O)(=O)c2cc(Cl)ccc2Br)CC[NH2+]1 ZINC000647255471 565649884 /nfs/dbraw/zinc/64/98/84/565649884.db2.gz ANEUHKZYSHOPFH-GFCCVEGCSA-N 1 0 381.723 2.721 20 0 GFADRO C[C@@H]1C[NH2+][C@@H](C)CN1S(=O)(=O)Cc1ccc(Br)cc1Cl ZINC000647250617 565649925 /nfs/dbraw/zinc/64/99/25/565649925.db2.gz JXNPNVXNOZBYQX-VHSXEESVSA-N 1 0 381.723 2.615 20 0 GFADRO O=S(=O)(c1cc(Br)sc1Cl)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000647264352 565650844 /nfs/dbraw/zinc/65/08/44/565650844.db2.gz YYFQMKUNPLLSJR-YUMQZZPRSA-N 1 0 385.736 2.537 20 0 GFADRO CC[C@@H]1CN(S(=O)(=O)c2c(C)cc(Br)cc2C)CC[C@@H]1[NH3+] ZINC000647269623 565651555 /nfs/dbraw/zinc/65/15/55/565651555.db2.gz XFKZKGSXWSSDFW-OCCSQVGLSA-N 1 0 375.332 2.814 20 0 GFADRO COC(=O)CC1([NH2+]Cc2ccc(Br)c(F)c2F)CCOCC1 ZINC000598964362 565651557 /nfs/dbraw/zinc/65/15/57/565651557.db2.gz HEERJHBDQUHZKE-UHFFFAOYSA-N 1 0 378.213 2.929 20 0 GFADRO Brc1ccc(N2CC[NH+](C[C@@H]3CNc4ccnn4C3)CC2)cc1 ZINC000668535527 565652188 /nfs/dbraw/zinc/65/21/88/565652188.db2.gz BJAPINTVSNTKCF-AWEZNQCLSA-N 1 0 376.302 2.510 20 0 GFADRO Brc1ccc2c(c1)C=C(CN1CC[NH+]([C@@H]3CCOC3)CC1)CO2 ZINC000668538453 565652648 /nfs/dbraw/zinc/65/26/48/565652648.db2.gz ZHGMOIJWBYFNEO-QGZVFWFLSA-N 1 0 379.298 2.631 20 0 GFADRO O=S(=O)(c1cccc(OC(F)(F)F)c1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000647299709 565655668 /nfs/dbraw/zinc/65/56/68/565655668.db2.gz AXQFFQAWTDJYES-ZDUSSCGKSA-N 1 0 378.416 2.595 20 0 GFADRO COC(=O)C1CC[NH+](CCCNC(=O)c2ccsc2C(F)(F)F)CC1 ZINC000599071490 565655667 /nfs/dbraw/zinc/65/56/67/565655667.db2.gz WQJBRXZREITMFA-UHFFFAOYSA-N 1 0 378.416 2.772 20 0 GFADRO CCOc1cc(C[NH2+][C@@H]2CC[C@@H](C)S(=O)(=O)C2)cc(Br)c1O ZINC000668561591 565655965 /nfs/dbraw/zinc/65/59/65/565655965.db2.gz KFZHRCRMKYSBKS-ZYHUDNBSSA-N 1 0 392.315 2.609 20 0 GFADRO C[C@H]([NH2+]CC[C@H]1CSc2ccccc2O1)c1cccc(S(N)(=O)=O)c1 ZINC000647320748 565656581 /nfs/dbraw/zinc/65/65/81/565656581.db2.gz AWCGOFMDNSVHAX-ZFWWWQNUSA-N 1 0 378.519 2.928 20 0 GFADRO CC[C@H](C)C[C@H](CO)[NH2+][C@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000647336560 565657822 /nfs/dbraw/zinc/65/78/22/565657822.db2.gz CJHNEBWSZPMOEB-DMDPSCGWSA-N 1 0 393.347 2.544 20 0 GFADRO C[C@@H]1CCN(S(=O)(=O)Cc2ccc(Br)cc2Cl)C[C@@H]1C[NH3+] ZINC000647325107 565658232 /nfs/dbraw/zinc/65/82/32/565658232.db2.gz WBAZSOSMAQXCNV-PWSUYJOCSA-N 1 0 395.750 2.849 20 0 GFADRO Cc1cc(Br)cc(CN2CCC(CO)(CO)C2)c1OC(F)F ZINC000668665184 565659138 /nfs/dbraw/zinc/65/91/38/565659138.db2.gz HRIVXNCZCUKXGH-UHFFFAOYSA-N 1 0 380.229 2.536 20 0 GFADRO C[C@@H]1CCCN1C(=O)CC[NH2+][C@@]1(CO)CCc2cc(Br)ccc2C1 ZINC000625795685 565660757 /nfs/dbraw/zinc/66/07/57/565660757.db2.gz ZXWBMRKJXZOQFH-KUHUBIRLSA-N 1 0 395.341 2.660 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)c(C)c1CN1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000647507569 565661499 /nfs/dbraw/zinc/66/14/99/565661499.db2.gz RXUNNHXNUGCVTL-KZULUSFZSA-N 1 0 393.329 2.800 20 0 GFADRO O=C(C[NH+](C1CC1)C1CC1)N1CCN(Cc2ccc(Br)s2)CC1 ZINC000625838049 565662143 /nfs/dbraw/zinc/66/21/43/565662143.db2.gz UNOVSRDEFINJIK-UHFFFAOYSA-N 1 0 398.370 2.782 20 0 GFADRO [NH3+]CCCOCCNC(=O)Nc1ccc(Br)cc1C(F)(F)F ZINC000625850537 565662707 /nfs/dbraw/zinc/66/27/07/565662707.db2.gz VWZFEUJEZRPXLG-UHFFFAOYSA-N 1 0 384.196 2.955 20 0 GFADRO OC[C@H](C[NH2+]C[C@@H](O)COc1cccc(Br)c1)Cc1ccccc1 ZINC000647518785 565662771 /nfs/dbraw/zinc/66/27/71/565662771.db2.gz CZSLWYGCZLRHPX-FUHWJXTLSA-N 1 0 394.309 2.630 20 0 GFADRO O[C@H](C[NH2+]C[C@@H](O)CCc1ccccc1)COc1ccc(Br)cc1 ZINC000647529248 565662935 /nfs/dbraw/zinc/66/29/35/565662935.db2.gz SYSGXXZCOADRRN-ZWKOTPCHSA-N 1 0 394.309 2.772 20 0 GFADRO OC[C@@H](C[NH2+]C[C@H](O)Cc1ccc(F)cc1)Cc1cccc(Br)c1 ZINC000647535055 565663615 /nfs/dbraw/zinc/66/36/15/565663615.db2.gz COBXAFZTRWQVIR-VQIMIIECSA-N 1 0 396.300 2.932 20 0 GFADRO COC(=O)CC1CC[NH+]([C@H]2CCc3cc(Br)ccc3NC2=O)CC1 ZINC000599270460 565665473 /nfs/dbraw/zinc/66/54/73/565665473.db2.gz KHLLGCPEAJJWCZ-INIZCTEOSA-N 1 0 395.297 2.978 20 0 GFADRO CCS(=O)(=O)c1c(Cl)cccc1CN1CCO[C@H](CCC[NH+](C)C)C1 ZINC000668785657 565665827 /nfs/dbraw/zinc/66/58/27/565665827.db2.gz ULWCIRABGGHESC-MRXNPFEDSA-N 1 0 388.961 2.676 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C[N@@H+](C)C1(CO)CCOCC1 ZINC000668804507 565667686 /nfs/dbraw/zinc/66/76/86/565667686.db2.gz CIWLTQUKBLREKT-UHFFFAOYSA-N 1 0 394.313 2.917 20 0 GFADRO CC(C)Oc1cc(Br)cc(C(=O)N2CC[C@H]([N@@H+]3CC[C@H](O)C3)C2)c1 ZINC000647706827 565672018 /nfs/dbraw/zinc/67/20/18/565672018.db2.gz RCHZDPNECFEDGY-HOTGVXAUSA-N 1 0 397.313 2.517 20 0 GFADRO C[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000599400402 565675952 /nfs/dbraw/zinc/67/59/52/565675952.db2.gz NIBKAXSWKKIPJB-YOEHRIQHSA-N 1 0 380.330 2.876 20 0 GFADRO C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1cnn(-c2cccc(Br)c2)c1 ZINC000647833644 565679863 /nfs/dbraw/zinc/67/98/63/565679863.db2.gz QJJXKIIHVGZQEK-LRDDRELGSA-N 1 0 377.286 2.799 20 0 GFADRO CNS(=O)(=O)C[C@H]1CCC[N@H+](Cc2cccc(Br)c2C)C1 ZINC000626166980 565680594 /nfs/dbraw/zinc/68/05/94/565680594.db2.gz KSKGOTVCHLRUIH-ZDUSSCGKSA-N 1 0 375.332 2.519 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CN(C(=O)C2(c3ccc(Br)cc3)CCCC2)CCO1 ZINC000647875692 565680956 /nfs/dbraw/zinc/68/09/56/565680956.db2.gz HWZNFAIHQNEDSS-BBRMVZONSA-N 1 0 381.314 2.836 20 0 GFADRO CNS(=O)(=O)C[C@@H]1CCC[N@H+](Cc2cccc(Br)c2C)C1 ZINC000626166979 565681560 /nfs/dbraw/zinc/68/15/60/565681560.db2.gz KSKGOTVCHLRUIH-CYBMUJFWSA-N 1 0 375.332 2.519 20 0 GFADRO COCC1([NH2+]CC(=O)Nc2ccc(Br)cc2Cl)CCOCC1 ZINC000647952126 565684595 /nfs/dbraw/zinc/68/45/95/565684595.db2.gz NJKXSDIIERYHTN-UHFFFAOYSA-N 1 0 391.693 2.826 20 0 GFADRO COC1(C(=O)N[C@H]2C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)CC[NH2+]CC1 ZINC000647975515 565686368 /nfs/dbraw/zinc/68/63/68/565686368.db2.gz BGAXITIWXVDKNX-URLYPYJESA-N 1 0 376.341 2.781 20 0 GFADRO CC[C@H](CNC(=O)N1CCO[C@H]([C@@H](C)[NH3+])C1)Cc1cccc(Br)c1 ZINC000669489584 565690388 /nfs/dbraw/zinc/69/03/88/565690388.db2.gz RYYPBOIZROEQGG-KEYYUXOJSA-N 1 0 398.345 2.775 20 0 GFADRO CC[C@H](Cc1ccccc1Br)NC(=O)N1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000669531514 565691038 /nfs/dbraw/zinc/69/10/38/565691038.db2.gz SACWWQGAOXRTKF-XPKDYRNWSA-N 1 0 384.318 2.528 20 0 GFADRO O=C(NCCOc1ncc(C(F)(F)F)cc1Cl)NC[C@H]1CCCC[NH2+]1 ZINC000669496817 565691643 /nfs/dbraw/zinc/69/16/43/565691643.db2.gz VDKOFXIIXMVWLZ-LLVKDONJSA-N 1 0 380.798 2.574 20 0 GFADRO Cn1nc2cc(Br)ccc2c1C(=O)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000648176786 565691952 /nfs/dbraw/zinc/69/19/52/565691952.db2.gz MWFQMZXGJXENEK-WBMJQRKESA-N 1 0 391.313 2.940 20 0 GFADRO COc1cc(Br)ccc1CCCNC(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000669557522 565692446 /nfs/dbraw/zinc/69/24/46/565692446.db2.gz SUJBIMXTIBGTTA-BBRMVZONSA-N 1 0 396.329 2.784 20 0 GFADRO CC1(OCC(=O)N2CCCC[C@H]2Cc2cccc(Br)c2)C[NH2+]C1 ZINC000648179606 565693303 /nfs/dbraw/zinc/69/33/03/565693303.db2.gz JGZCUFFJLMGZPZ-INIZCTEOSA-N 1 0 381.314 2.751 20 0 GFADRO CN(C)C[C@@H]([NH2+]CC(=O)NC(=O)NC(C)(C)C)c1ccc(Cl)c(Cl)c1 ZINC000599626356 565693440 /nfs/dbraw/zinc/69/34/40/565693440.db2.gz DRHMRLRHBQNMQZ-CQSZACIVSA-N 1 0 389.327 2.810 20 0 GFADRO [NH3+]C/C=C/CNC(=O)NCc1cc(Br)ccc1Br ZINC000669564782 565693441 /nfs/dbraw/zinc/69/34/41/565693441.db2.gz MHJJKWBKVAECOH-OWOJBTEDSA-N 1 0 377.080 2.526 20 0 GFADRO O=C(NC[C@@H]1CCC[NH2+]1)N[C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O ZINC000669568995 565693518 /nfs/dbraw/zinc/69/35/18/565693518.db2.gz PLLHMKNCWAJKKK-GXTWGEPZSA-N 1 0 385.295 2.540 20 0 GFADRO O=C(NCc1cnn(-c2ccc(Br)cc2)c1)NC[C@@H]1CCCC[NH2+]1 ZINC000669571658 565693580 /nfs/dbraw/zinc/69/35/80/565693580.db2.gz BKJHWPCTYJQBTB-HNNXBMFYSA-N 1 0 392.301 2.576 20 0 GFADRO COCC[C@H](NC(=O)N1CCO[C@H]([C@H](C)[NH3+])C1)c1ccc(Cl)c(Cl)c1 ZINC000669582766 565694211 /nfs/dbraw/zinc/69/42/11/565694211.db2.gz QMDGGXIROIUJCS-UVBJJODRSA-N 1 0 390.311 2.829 20 0 GFADRO Cc1cc(Br)cc(C)c1N1CCC[C@H](NC(=O)NC/C=C\C[NH3+])C1 ZINC000669584756 565694266 /nfs/dbraw/zinc/69/42/66/565694266.db2.gz WNBOFDZVQRIWAY-QGZUEGPWSA-N 1 0 395.345 2.849 20 0 GFADRO O=C(N[C@H]1C[C@H](c2ccc(Br)cc2)C1)N[C@H]1C[NH2+]CCC1(F)F ZINC000669589697 565694357 /nfs/dbraw/zinc/69/43/57/565694357.db2.gz HYGVITZDZHCRFE-UBHSHLNASA-N 1 0 388.256 2.992 20 0 GFADRO O=C(NCCc1c[nH]c2cccc(Br)c12)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000669588516 565694635 /nfs/dbraw/zinc/69/46/35/565694635.db2.gz WZAOCRIJQPKZRY-WBMJQRKESA-N 1 0 391.313 2.866 20 0 GFADRO CC(C)(C)OC(=O)C(C)(C)NC[C@@H](O)COc1ccc(Br)cc1 ZINC000599673183 565696539 /nfs/dbraw/zinc/69/65/39/565696539.db2.gz RBKQMRHYZRQWCU-CYBMUJFWSA-N 1 0 388.302 2.899 20 0 GFADRO O[C@H](COc1cc(F)cc(Br)c1)C[NH+]1CC(C2CCOCC2)C1 ZINC000669665741 565698025 /nfs/dbraw/zinc/69/80/25/565698025.db2.gz UCZIHZCMVPZATJ-INIZCTEOSA-N 1 0 388.277 2.686 20 0 GFADRO O=C(CCc1cccc(F)c1Br)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000648281151 565699234 /nfs/dbraw/zinc/69/92/34/565699234.db2.gz RPZSPFDOPBTAOE-HZPDHXFCSA-N 1 0 399.304 2.578 20 0 GFADRO O=C(CCc1cccc(F)c1Br)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000648281149 565699822 /nfs/dbraw/zinc/69/98/22/565699822.db2.gz RPZSPFDOPBTAOE-CVEARBPZSA-N 1 0 399.304 2.578 20 0 GFADRO CC[N@@H+]1CCN(c2nnc(-c3cc(F)ccc3Br)n2C)C[C@@H]1C ZINC000669788951 565702432 /nfs/dbraw/zinc/70/24/32/565702432.db2.gz POJLAKVJROAKGO-NSHDSACASA-N 1 0 382.281 2.914 20 0 GFADRO CN1C(=O)N[C@]2(CCC[C@H]2C[NH2+][C@@H]2CCc3ccc(Br)cc32)C1=O ZINC000669848660 565704871 /nfs/dbraw/zinc/70/48/71/565704871.db2.gz JXEKXMOEAYNFKJ-PNPHSEOMSA-N 1 0 392.297 2.747 20 0 GFADRO Cc1ncc([C@@H](C)[NH2+]CCNS(=O)(=O)c2ccc(F)cc2Cl)s1 ZINC000669852018 565705606 /nfs/dbraw/zinc/70/56/06/565705606.db2.gz XEFWYDPUTUYLEV-SECBINFHSA-N 1 0 377.894 2.873 20 0 GFADRO CC(C)[C@@H]1C[NH2+]CCN1C(=O)C(=O)Nc1ccc(C(F)(F)F)cc1Cl ZINC000626845630 565713535 /nfs/dbraw/zinc/71/35/35/565713535.db2.gz GBOQAKFXKOIMNA-ZDUSSCGKSA-N 1 0 377.794 2.754 20 0 GFADRO Cc1cc(Cl)ccc1NC(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000626861836 565714130 /nfs/dbraw/zinc/71/41/30/565714130.db2.gz WVTNDNPOCUGRAW-ZYHUDNBSSA-N 1 0 377.794 2.573 20 0 GFADRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)Nc1cccc(Cl)c1SCC(F)F ZINC000626910260 565714855 /nfs/dbraw/zinc/71/48/55/565714855.db2.gz JAHVSIWEUILMMQ-WCBMZHEXSA-N 1 0 377.844 2.502 20 0 GFADRO COC(=O)c1ccc(C[NH2+][C@@]2(CO)CCc3cc(Br)ccc3C2)[nH]1 ZINC000600189519 565717859 /nfs/dbraw/zinc/71/78/59/565717859.db2.gz GYQQTPVEHFCJPJ-SFHVURJKSA-N 1 0 393.281 2.573 20 0 GFADRO [NH3+]CC1(NC(=O)NCCOc2c(Cl)cc(Cl)cc2Cl)CCOCC1 ZINC000626995074 565718285 /nfs/dbraw/zinc/71/82/85/565718285.db2.gz PGJVDOCQOUHIOG-UHFFFAOYSA-N 1 0 396.702 2.833 20 0 GFADRO CN(CCOCC[NH3+])C(=O)NCCc1csc(-c2ccc(Cl)cc2)n1 ZINC000627005684 565718690 /nfs/dbraw/zinc/71/86/90/565718690.db2.gz HMZOKHXEPBTAJG-UHFFFAOYSA-N 1 0 382.917 2.623 20 0 GFADRO O=S(=O)(NC[C@H]1CCC[N@@H+](Cc2cc3cc(Cl)cnc3o2)C1)C1CC1 ZINC000648589375 565718785 /nfs/dbraw/zinc/71/87/85/565718785.db2.gz ZIFPUASDHFMORZ-GFCCVEGCSA-N 1 0 383.901 2.775 20 0 GFADRO CC[C@@H](CCc1ccc(Br)cc1)[NH2+]C1CC(NS(C)(=O)=O)C1 ZINC000670271340 565719562 /nfs/dbraw/zinc/71/95/62/565719562.db2.gz JHPMUHSYOCHTAA-FHERZECASA-N 1 0 389.359 2.830 20 0 GFADRO COc1cc(Br)ccc1CCCNC(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000627014783 565719897 /nfs/dbraw/zinc/71/98/97/565719897.db2.gz XTRXCTWXFKVABP-INIZCTEOSA-N 1 0 396.329 2.974 20 0 GFADRO COCC[C@H](NC(=O)NCC1([NH3+])CCOCC1)c1ccc(Cl)c(Cl)c1 ZINC000627032431 565720855 /nfs/dbraw/zinc/72/08/55/565720855.db2.gz RWMDKCZNCQSNTM-HNNXBMFYSA-N 1 0 390.311 2.878 20 0 GFADRO CC1(C)Cc2c(cccc2Br)[C@@H]1NC(=O)NCCOCCC[NH3+] ZINC000627043859 565720941 /nfs/dbraw/zinc/72/09/41/565720941.db2.gz YOOINRJQYLKEGA-HNNXBMFYSA-N 1 0 384.318 2.737 20 0 GFADRO O=C(Cc1ccc(Br)cc1)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000670390629 565721494 /nfs/dbraw/zinc/72/14/94/565721494.db2.gz LOHUMMAAUUFCMY-KRWDZBQOSA-N 1 0 381.314 2.705 20 0 GFADRO O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)N[C@H]1CCCSc2ccc(Br)cc21 ZINC000627094470 565721610 /nfs/dbraw/zinc/72/16/10/565721610.db2.gz AZMJNCQAJTVMTJ-SFDCQRBFSA-N 1 0 382.327 2.893 20 0 GFADRO [NH3+]C1(CNC(=O)N2CC=C(c3cccc(Br)c3)CC2)CCOCC1 ZINC000627150533 565723749 /nfs/dbraw/zinc/72/37/49/565723749.db2.gz NOROAQCYCFLEFH-UHFFFAOYSA-N 1 0 394.313 2.756 20 0 GFADRO O=C(NCCC[NH+]1CCCCC1)C(=O)NCCc1ccc(Cl)cc1Cl ZINC000670494307 565725489 /nfs/dbraw/zinc/72/54/89/565725489.db2.gz MUZVIPOPFXXMNO-UHFFFAOYSA-N 1 0 386.323 2.644 20 0 GFADRO CC(C)[N@@H+]1CCCN(C(=O)c2c3ccc(Br)cc3nn2C)CC1 ZINC000648766172 565727127 /nfs/dbraw/zinc/72/71/27/565727127.db2.gz GLUMANUQEKIJCZ-UHFFFAOYSA-N 1 0 379.302 2.892 20 0 GFADRO Cc1cc(Br)cc2c(C(=O)N3CC[C@@H]([N@@H+]4CC[C@H](O)C4)C3)coc21 ZINC000627261575 565728074 /nfs/dbraw/zinc/72/80/74/565728074.db2.gz ACIQTVVVZLCMRC-KGLIPLIRSA-N 1 0 393.281 2.785 20 0 GFADRO CC[C@H](Cc1cccc(Br)c1)C(=O)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000627259186 565728853 /nfs/dbraw/zinc/72/88/53/565728853.db2.gz ONCRLPRGIPBKTE-NJAFHUGGSA-N 1 0 395.341 2.685 20 0 GFADRO O=C(c1ccc(Br)c(Cl)c1F)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000627264159 565730630 /nfs/dbraw/zinc/73/06/30/565730630.db2.gz PAVFTTRKVBOJQU-NXEZZACHSA-N 1 0 391.668 2.523 20 0 GFADRO C[C@H](CC(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1)n1cc(Br)cn1 ZINC000648806139 565731248 /nfs/dbraw/zinc/73/12/48/565731248.db2.gz YPVNLYYKAVDUTN-HIFRSBDPSA-N 1 0 383.334 2.787 20 0 GFADRO O=C(c1cc2cc(Br)ccc2s1)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000627272448 565731446 /nfs/dbraw/zinc/73/14/46/565731446.db2.gz OQMJTSIFRGSTOD-KGLIPLIRSA-N 1 0 395.322 2.945 20 0 GFADRO CCc1ncc(CNc2cc(N3CCOCC3)c(Br)c[nH+]2)s1 ZINC000648860912 565735290 /nfs/dbraw/zinc/73/52/90/565735290.db2.gz XXAZPCLGLCALAA-UHFFFAOYSA-N 1 0 383.315 3.312 20 0 GFADRO C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000627446620 565736109 /nfs/dbraw/zinc/73/61/09/565736109.db2.gz QRBPWDXCOXUIRB-ABAIWWIYSA-N 1 0 384.307 2.914 20 0 GFADRO CSc1ccc(NC(=O)C(=O)N(C)CCC[NH+](C)C)cc1Br ZINC000627504762 565738441 /nfs/dbraw/zinc/73/84/41/565738441.db2.gz FLZWVVXTTFQFNQ-UHFFFAOYSA-N 1 0 388.331 2.520 20 0 GFADRO CCN(C(=O)CSc1nnc(-c2cccs2)n1C)C1CC[NH+](C)CC1 ZINC000627619862 565744029 /nfs/dbraw/zinc/74/40/29/565744029.db2.gz XJNQAGWRQLBTAW-UHFFFAOYSA-N 1 0 379.555 2.578 20 0 GFADRO CCCN(C(=O)c1c2ccc(Br)cc2nn1C)[C@H]1CC[N@H+](C)C1 ZINC000648995472 565744032 /nfs/dbraw/zinc/74/40/32/565744032.db2.gz XTWOOCNGARELEN-ZDUSSCGKSA-N 1 0 379.302 2.892 20 0 GFADRO C[C@@H](CC(=O)N1CN(CC[NH+](C)C)C(=O)[C@@H]1C)c1ccc(Br)cc1 ZINC000649073151 565746514 /nfs/dbraw/zinc/74/65/14/565746514.db2.gz PPWAGMRAVSLKCR-KBPBESRZSA-N 1 0 396.329 2.521 20 0 GFADRO O=C(c1ccc(Br)c(F)c1)N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000627739144 565749392 /nfs/dbraw/zinc/74/93/92/565749392.db2.gz CWBRJFZVGYIWJC-UHFFFAOYSA-N 1 0 385.277 2.915 20 0 GFADRO CN(Cc1c(Cl)cccc1Cl)C(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000671105461 565751449 /nfs/dbraw/zinc/75/14/49/565751449.db2.gz XJILPTRCTYWWFX-STQMWFEESA-N 1 0 384.307 2.695 20 0 GFADRO CN(C(=O)c1ccc([S@](C)=O)cc1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000600827443 565751634 /nfs/dbraw/zinc/75/16/34/565751634.db2.gz VWJRESGWXDGTRU-VWLOTQADSA-N 1 0 376.444 2.913 20 0 GFADRO Cc1cc(Br)cc(NC(=O)C(=O)NC[C@H]2CCCC[N@@H+](C)C2)c1 ZINC000627827096 565755129 /nfs/dbraw/zinc/75/51/29/565755129.db2.gz PYOUPQHUSSDWKK-CYBMUJFWSA-N 1 0 382.302 2.544 20 0 GFADRO [NH3+][C@H](C(=O)NC[C@@H](c1cccs1)N1CCOCC1)c1cccc(Cl)c1 ZINC000649277249 565757093 /nfs/dbraw/zinc/75/70/93/565757093.db2.gz POPOXPWLCKMOPF-RDJZCZTQSA-N 1 0 379.913 2.591 20 0 GFADRO CC[C@H](c1ccc(Br)cc1)N1CCN(C(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)CC1 ZINC000649322344 565758900 /nfs/dbraw/zinc/75/89/00/565758900.db2.gz NYNUQQDUCZGUBQ-NRSFXHEJSA-N 1 0 392.341 2.795 20 0 GFADRO CC(C)[C@H]1CN(Cc2csc(-c3ccc(S(C)(=O)=O)cc3)n2)CC[NH2+]1 ZINC000649416809 565760499 /nfs/dbraw/zinc/76/04/99/565760499.db2.gz MKHMVIDDWORTOQ-QGZVFWFLSA-N 1 0 379.551 2.643 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC000600978982 565761174 /nfs/dbraw/zinc/76/11/74/565761174.db2.gz BARFZYOOSDSZRB-HNNXBMFYSA-N 1 0 382.302 2.687 20 0 GFADRO COC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+]Cc1cnc(-c2ccc(Cl)cc2)s1 ZINC000601144852 565768426 /nfs/dbraw/zinc/76/84/26/565768426.db2.gz DIPFCLOIJWAMCO-QWRGUYRKSA-N 1 0 381.885 2.619 20 0 GFADRO O[C@H](C[NH2+]C1(c2ccccc2Br)CCC1)COC[C@H]1CCCO1 ZINC000649645850 565770134 /nfs/dbraw/zinc/77/01/34/565770134.db2.gz KNOCNGOCTYHPDS-HUUCEWRRSA-N 1 0 384.314 2.974 20 0 GFADRO C[NH+]1CCN(Cc2cccc(NC(=O)c3nscc3Br)c2)CC1 ZINC000649645208 565770507 /nfs/dbraw/zinc/77/05/07/565770507.db2.gz JLACSVWQWNYIGK-UHFFFAOYSA-N 1 0 395.326 2.905 20 0 GFADRO CN(C)S(=O)(=O)CCC[NH2+]C1(c2ccccc2Br)CCC1 ZINC000649646633 565771542 /nfs/dbraw/zinc/77/15/42/565771542.db2.gz KLUIGWIRMFXZPG-UHFFFAOYSA-N 1 0 375.332 2.699 20 0 GFADRO COC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+][C@@H](C)c1csc(-c2csc(C)n2)c1 ZINC000601294526 565774837 /nfs/dbraw/zinc/77/48/37/565774837.db2.gz RNBUGWHHPOMIES-DCAQKATOSA-N 1 0 381.523 2.897 20 0 GFADRO Brc1ccc2oc(CN3CCN(CC[NH+]4CCCC4)CC3)nc2c1 ZINC000671677196 565779141 /nfs/dbraw/zinc/77/91/41/565779141.db2.gz IDPQALJTXBXJPS-UHFFFAOYSA-N 1 0 393.329 2.804 20 0 GFADRO O=C(N[C@H]1CC[N@H+](CC2CC2)C1)c1cc(Br)cnc1OCC1CC1 ZINC000671707266 565782494 /nfs/dbraw/zinc/78/24/94/565782494.db2.gz VUYYZINAKRFBTQ-HNNXBMFYSA-N 1 0 394.313 2.847 20 0 GFADRO COc1ccc(Cl)c2c1CCC[C@H]2[N@H+](C)C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000649856766 565782949 /nfs/dbraw/zinc/78/29/49/565782949.db2.gz NXICDUHXYIZPDP-XJKSGUPXSA-N 1 0 386.945 2.939 20 0 GFADRO O=S(=O)(NCC[NH2+]Cc1[nH]nc2ccccc21)c1cccc(Cl)c1Cl ZINC000671725599 565783573 /nfs/dbraw/zinc/78/35/73/565783573.db2.gz JAELKXHXNGEMFH-UHFFFAOYSA-N 1 0 399.303 2.938 20 0 GFADRO Brc1ccc(-c2n[nH]cc2CN2CC[NH+]([C@H]3CCOC3)CC2)s1 ZINC000628338671 565784607 /nfs/dbraw/zinc/78/46/07/565784607.db2.gz SJLKICGBQNJINK-ZDUSSCGKSA-N 1 0 397.342 2.807 20 0 GFADRO CCOc1cc(C[N@H+](C)[C@@H]2CCC(=O)N(C)C2)cc(Br)c1OC ZINC000628368095 565786292 /nfs/dbraw/zinc/78/62/92/565786292.db2.gz MQUCFUMTLWZQIB-CYBMUJFWSA-N 1 0 385.302 2.909 20 0 GFADRO CNS(=O)(=O)C[C@@H]1CCC[N@H+](Cc2cnc(-c3ccccc3F)s2)C1 ZINC000628495941 565791180 /nfs/dbraw/zinc/79/11/80/565791180.db2.gz DQGHOOPTTSSHJB-CYBMUJFWSA-N 1 0 383.514 2.710 20 0 GFADRO Cc1csc(C(=O)N2CCC[C@@H]3C[NH2+]CC[C@@H]32)c1I ZINC000601553056 565791643 /nfs/dbraw/zinc/79/16/43/565791643.db2.gz NGKQCJUJFMBNGX-MNOVXSKESA-N 1 0 390.290 2.875 20 0 GFADRO Cc1ccc(C(=O)N2CCC[C@@H]3C[NH2+]CC[C@@H]32)cc1I ZINC000601560996 565792114 /nfs/dbraw/zinc/79/21/14/565792114.db2.gz ZUUMILPAULJDLK-HIFRSBDPSA-N 1 0 384.261 2.814 20 0 GFADRO O=C(Nc1ccc(I)cc1Cl)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000601566966 565792127 /nfs/dbraw/zinc/79/21/27/565792127.db2.gz KRXPMCCFMXVTFF-AOOOYVTPSA-N 1 0 391.640 2.913 20 0 GFADRO CC(C)C[N@H+](C)CCCNC(=O)Nc1ccc(NS(C)(=O)=O)c(Cl)c1 ZINC000650049416 565794340 /nfs/dbraw/zinc/79/43/40/565794340.db2.gz YDQMHOAUHZXDGN-UHFFFAOYSA-N 1 0 390.937 2.811 20 0 GFADRO CSC1(CNC(=O)N2CCC(Cc3nccs3)CC2)CC[NH+](C)CC1 ZINC000601610358 565794658 /nfs/dbraw/zinc/79/46/58/565794658.db2.gz QKUVJPNPMOGENZ-UHFFFAOYSA-N 1 0 382.599 2.935 20 0 GFADRO CC[C@H](C)[NH2+][C@H](CNC(=O)CCn1cc(Br)cn1)c1ccco1 ZINC000650077444 565796018 /nfs/dbraw/zinc/79/60/18/565796018.db2.gz TWODAWKOKRBRGH-GXTWGEPZSA-N 1 0 383.290 2.874 20 0 GFADRO C[C@@H]1C[N@H+](C)[C@H](C)[C@H](C)N1C(=O)CCNC(=O)c1ccc(Br)cc1 ZINC000650145786 565799484 /nfs/dbraw/zinc/79/94/84/565799484.db2.gz QOFXDOOGQBQIOK-MCIONIFRSA-N 1 0 396.329 2.509 20 0 GFADRO C[C@@H]1C[N@H+](C)[C@H](C)[C@H](C)N1C(=O)c1cc(Br)c2c(c1)OCCO2 ZINC000650149249 565800194 /nfs/dbraw/zinc/80/01/94/565800194.db2.gz AGYYMFFLFGRFSZ-UTUOFQBUSA-N 1 0 383.286 2.773 20 0 GFADRO Cc1nc2ccc(Br)cn2c1C(=O)N1[C@H](C)C[N@H+](C)[C@@H](C)[C@H]1C ZINC000650154858 565800230 /nfs/dbraw/zinc/80/02/30/565800230.db2.gz RDOWPJOFHYOGIQ-KGYLQXTDSA-N 1 0 379.302 2.958 20 0 GFADRO CC(C)C[N@H+](C)CCCNC(=O)C(C)(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000650182194 565802401 /nfs/dbraw/zinc/80/24/01/565802401.db2.gz UUUOCPGPQBVFJO-UHFFFAOYSA-N 1 0 388.961 2.986 20 0 GFADRO CCC(C)(C)[NH2+][C@@H](C)C(=O)N[C@@]1(CO)CCc2cc(Br)ccc2C1 ZINC000628682671 565802954 /nfs/dbraw/zinc/80/29/54/565802954.db2.gz PPDSEMIOEFUEGF-DJJJIMSYSA-N 1 0 397.357 2.952 20 0 GFADRO CC(=O)NCC[C@H]1CCC[N@H+](Cc2cn3cc(Br)ccc3n2)C1 ZINC000672576449 565813250 /nfs/dbraw/zinc/81/32/50/565813250.db2.gz XOOSEQORPBSDIB-CQSZACIVSA-N 1 0 379.302 2.835 20 0 GFADRO CC(=O)NCC[C@@H]1CCC[N@H+](C[C@H](O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000672576638 565813304 /nfs/dbraw/zinc/81/33/04/565813304.db2.gz NUEIKRCEAGMYRB-GJZGRUSLSA-N 1 0 389.323 2.971 20 0 GFADRO O=C(CNC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1)c1ccc(Cl)cc1F ZINC000628897524 565813395 /nfs/dbraw/zinc/81/33/95/565813395.db2.gz IRIFSCFWMLPBED-CQSZACIVSA-N 1 0 384.904 2.996 20 0 GFADRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+]C[C@@H](CO)c2ccc(Cl)cc2)cc1 ZINC000672619177 565814231 /nfs/dbraw/zinc/81/42/31/565814231.db2.gz JUFQNQBCRYDHIR-BBRMVZONSA-N 1 0 382.913 2.675 20 0 GFADRO CC[N@@H+]1CC[C@@H](CNC(=O)c2ccc3[nH]cc(I)c3c2)C1 ZINC000602080678 565822378 /nfs/dbraw/zinc/82/23/78/565822378.db2.gz QVHKGHGKJDCOAF-NSHDSACASA-N 1 0 397.260 2.844 20 0 GFADRO CCN1CCN(C(=O)C(=O)Nc2nc(-c3ccc(C)s3)cs2)C[C@H]1C ZINC000672938688 565822886 /nfs/dbraw/zinc/82/28/86/565822886.db2.gz WDDRIHJYCLYZIP-LLVKDONJSA-N 1 0 378.523 2.671 20 0 GFADRO C[NH+](C)CCn1nccc1NS(=O)(=O)Cc1cc(Cl)sc1Cl ZINC000650468609 565823317 /nfs/dbraw/zinc/82/33/17/565823317.db2.gz FEFYTWPVVIMTBK-UHFFFAOYSA-N 1 0 383.326 2.755 20 0 GFADRO O=C(c1csc(-c2cccc(Cl)c2)n1)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000673513015 565839020 /nfs/dbraw/zinc/83/90/20/565839020.db2.gz MTSNYBNYOLBDMB-LSDHHAIUSA-N 1 0 377.897 2.745 20 0 GFADRO Cc1nc(-c2cccs2)c(CC(=O)NC[C@@H]2CCC[N@@H+]2CCCO)s1 ZINC000650966891 565841041 /nfs/dbraw/zinc/84/10/41/565841041.db2.gz JYLDGMYDJGWSPU-AWEZNQCLSA-N 1 0 379.551 2.686 20 0 GFADRO CCOCCC[N@@H+]1CC[C@@H](NS(=O)(=O)Cc2cccc(Cl)c2)[C@H](C)C1 ZINC000673563589 565841117 /nfs/dbraw/zinc/84/11/17/565841117.db2.gz JSMHBUZHQXZRFE-CRAIPNDOSA-N 1 0 388.961 2.896 20 0 GFADRO C[NH+](C)[C@@H]1[C@H]2CN(S(=O)(=O)c3cc(Cl)ccc3OCC3CCC3)C[C@H]21 ZINC000629354585 565848309 /nfs/dbraw/zinc/84/83/09/565848309.db2.gz TWJQLQMMPXGYPX-HWWDLCQESA-N 1 0 384.929 2.699 20 0 GFADRO C[C@H](CNC(=O)C1([S@@](C)=O)CC[NH2+]CC1)c1c(Cl)cccc1Cl ZINC000602454508 565848427 /nfs/dbraw/zinc/84/84/27/565848427.db2.gz MWGLUYJKDOHMSJ-QVQLBTGDSA-N 1 0 377.337 2.714 20 0 GFADRO CC(=O)N[C@@H](CC(=O)N(C)CCCC[NH+](C)C)c1ccc(Br)cc1 ZINC000673840818 565850228 /nfs/dbraw/zinc/85/02/28/565850228.db2.gz MKYLFBRVAADQOV-KRWDZBQOSA-N 1 0 398.345 2.817 20 0 GFADRO CCC1([NH+]2CCOCC2)CCN(C(=O)c2cc(Br)ccc2O)CC1 ZINC000629417403 565850479 /nfs/dbraw/zinc/85/04/79/565850479.db2.gz LYQBWWKCVMAZAO-UHFFFAOYSA-N 1 0 397.313 2.872 20 0 GFADRO COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)c1cccc2c(Br)cccc12 ZINC000602491413 565851206 /nfs/dbraw/zinc/85/12/06/565851206.db2.gz HUTREAOCPMJHMX-INIZCTEOSA-N 1 0 391.265 2.579 20 0 GFADRO COC(=O)c1ccc(CN(C)[C@H](CO)c2cccc(Br)c2)n1C ZINC000602480316 565851496 /nfs/dbraw/zinc/85/14/96/565851496.db2.gz GEGWUFBTVIRPJE-MRXNPFEDSA-N 1 0 381.270 2.740 20 0 GFADRO C[NH+](C)CCn1cc(NC(=O)NCCc2ccccc2Br)cn1 ZINC000673868875 565851592 /nfs/dbraw/zinc/85/15/92/565851592.db2.gz HUWVERNXGITKFV-UHFFFAOYSA-N 1 0 380.290 2.571 20 0 GFADRO C[S@@](=O)C1(C(=O)NCCCc2c(Cl)cccc2Cl)CC[NH2+]CC1 ZINC000602519993 565852165 /nfs/dbraw/zinc/85/21/65/565852165.db2.gz FHKKMUKWNDEXMK-HSZRJFAPSA-N 1 0 377.337 2.543 20 0 GFADRO CC(=O)N1CC[C@@H](C[N@@H+](C)Cc2ccc(I)s2)C1 ZINC000602494523 565852568 /nfs/dbraw/zinc/85/25/68/565852568.db2.gz POGVANCZMUKMPV-NSHDSACASA-N 1 0 378.279 2.653 20 0 GFADRO C[NH+](C)[C@@]1(CNC(=O)c2ccc(Cl)c(N3CCCC3=O)c2)CCSC1 ZINC000673958362 565853872 /nfs/dbraw/zinc/85/38/72/565853872.db2.gz NBLKYNQGOYXMER-GOSISDBHSA-N 1 0 381.929 2.634 20 0 GFADRO COC(=O)c1cc(C[NH2+]CCc2cn3cc(Br)cc(C)c3n2)on1 ZINC000602611217 565857362 /nfs/dbraw/zinc/85/73/62/565857362.db2.gz DQAYXSVXECIMJC-UHFFFAOYSA-N 1 0 393.241 2.512 20 0 GFADRO C[NH2+]CCOCCN(C)[C@H](C)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000629569315 565859667 /nfs/dbraw/zinc/85/96/67/565859667.db2.gz ZOOYQLKCFBUTSD-LLVKDONJSA-N 1 0 381.826 2.854 20 0 GFADRO Cn1ncc(C(F)(F)F)c1C[NH2+]C[C@H](O)COCc1ccccc1Cl ZINC000629586678 565860475 /nfs/dbraw/zinc/86/04/75/565860475.db2.gz BEULBZUVWMRTCV-LBPRGKRZSA-N 1 0 377.794 2.760 20 0 GFADRO COc1ncc(Br)cc1C[NH2+]C[C@@H](O)COc1ccc(F)cc1 ZINC000629593554 565861664 /nfs/dbraw/zinc/86/16/64/565861664.db2.gz QGHMCUAWZBKRAU-CQSZACIVSA-N 1 0 385.233 2.521 20 0 GFADRO [NH3+][C@@H](Cc1ccccc1)[C@@H](O)CN1CCc2cc(F)cc(Br)c2C1 ZINC000629590307 565861688 /nfs/dbraw/zinc/86/16/88/565861688.db2.gz TXXOKIGJAYNFBS-OALUTQOASA-N 1 0 393.300 2.877 20 0 GFADRO CSc1ccc(OC[C@@H](O)C[NH2+]Cc2c(C(F)(F)F)cnn2C)cc1 ZINC000629605443 565863704 /nfs/dbraw/zinc/86/37/04/565863704.db2.gz ZBQGHNWLGASMBF-NSHDSACASA-N 1 0 375.416 2.690 20 0 GFADRO CCC(CC)(C[NH2+]Cc1ccc(S(N)(=O)=O)s1)C(=O)OC(C)(C)C ZINC000602692859 565863888 /nfs/dbraw/zinc/86/38/88/565863888.db2.gz CVROYLSTENMZBS-UHFFFAOYSA-N 1 0 376.544 2.633 20 0 GFADRO O[C@H](C[NH2+][C@@H]1CO[C@H](C2CC2)C1)COc1ccc(Cl)cc1Br ZINC000629606291 565863871 /nfs/dbraw/zinc/86/38/71/565863871.db2.gz BVWDEGRHEXQGRM-ZENOOKHLSA-N 1 0 390.705 2.999 20 0 GFADRO O=C(CC[NH2+][C@@H]1CCN(C2CCC2)C1=O)Nc1cccc(Br)c1 ZINC000629616956 565865055 /nfs/dbraw/zinc/86/50/55/565865055.db2.gz CIYYZQLLQTXOPK-OAHLLOKOSA-N 1 0 380.286 2.521 20 0 GFADRO CC[NH+](CC)CCN(CCOC)Cc1cn2cc(Br)ccc2n1 ZINC000674250375 565865336 /nfs/dbraw/zinc/86/53/36/565865336.db2.gz TYWDTGCASQATTQ-UHFFFAOYSA-N 1 0 383.334 2.887 20 0 GFADRO COCC1(CS(=O)(=O)NC[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)CCC1 ZINC000651577373 565875161 /nfs/dbraw/zinc/87/51/61/565875161.db2.gz JLUDASZDOGJKND-NVXWUHKLSA-N 1 0 386.583 2.867 20 0 GFADRO O=C(NCC[N@H+]1CC[C@H](O)C1)C1(c2ccc(Br)cc2)CCCCC1 ZINC000629912357 565876003 /nfs/dbraw/zinc/87/60/03/565876003.db2.gz QMWNRAWMTAMIEU-KRWDZBQOSA-N 1 0 395.341 2.834 20 0 GFADRO C[NH+](C)C[C@H]1CN(S(=O)(=O)c2ccc(Cl)c(F)c2)c2ccccc2O1 ZINC000651601605 565877862 /nfs/dbraw/zinc/87/78/62/565877862.db2.gz IZZFHZJLSCKFQH-LBPRGKRZSA-N 1 0 384.860 2.997 20 0 GFADRO C[NH2+]C1(CNC(=O)[C@H]2CC(=O)N(C)[C@H]2c2ccc(Cl)c(Cl)c2)CCC1 ZINC000630003694 565878976 /nfs/dbraw/zinc/87/89/76/565878976.db2.gz DMGMVXRWLDLVJI-LRDDRELGSA-N 1 0 384.307 2.771 20 0 GFADRO O[C@H](C[NH+]1CCC(c2ccc(Br)cc2)CC1)CC1(O)CCOCC1 ZINC000630038905 565880449 /nfs/dbraw/zinc/88/04/49/565880449.db2.gz DDONOSJHHBTXCI-SFHVURJKSA-N 1 0 398.341 2.921 20 0 GFADRO COc1nsc(C[NH2+]C[C@H](C)N2C[C@@H](C)O[C@@H](C)C2)c1Br ZINC000630073669 565880633 /nfs/dbraw/zinc/88/06/33/565880633.db2.gz AELCRBDPYNSFQG-GARJFASQSA-N 1 0 378.336 2.502 20 0 GFADRO Cc1cc(Br)sc1S(=O)(=O)NC1CCC([NH+](C)C)CC1 ZINC000651744455 565890254 /nfs/dbraw/zinc/89/02/54/565890254.db2.gz CWWYBQBWDREODH-UHFFFAOYSA-N 1 0 381.361 2.970 20 0 GFADRO [NH3+]CCSCc1cn(Cc2coc(-c3ccc(Br)cc3)n2)nn1 ZINC000603220945 565891371 /nfs/dbraw/zinc/89/13/71/565891371.db2.gz XYDUJRJCKSEGBS-UHFFFAOYSA-N 1 0 394.298 2.936 20 0 GFADRO [NH3+]CCSCc1cn([C@@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)nn1 ZINC000603239796 565891456 /nfs/dbraw/zinc/89/14/56/565891456.db2.gz ZWEZOENXLVIARP-CQSZACIVSA-N 1 0 386.308 2.755 20 0 GFADRO C[N@@H+]1CCC[C@H](NC(=O)[C@H](c2ccc(Br)cc2)N2CCCC2)C1 ZINC000675137748 565892120 /nfs/dbraw/zinc/89/21/20/565892120.db2.gz HYKPDMMQNXVRTM-IRXDYDNUSA-N 1 0 380.330 2.796 20 0 GFADRO C[N@@H+]1CCCN(CCCNC(=O)CCCc2cccc(Br)c2)CC1 ZINC000675463899 565903716 /nfs/dbraw/zinc/90/37/16/565903716.db2.gz QWLMBPMWGBTDBH-UHFFFAOYSA-N 1 0 396.373 2.916 20 0 GFADRO CCOc1cc(C[NH2+]C2(CCO)CCOCC2)cc(Br)c1OC ZINC000675553089 565908793 /nfs/dbraw/zinc/90/87/93/565908793.db2.gz BZYUQVTWFKDWCG-UHFFFAOYSA-N 1 0 388.302 2.878 20 0 GFADRO OCCC1([NH2+]Cc2cnn(-c3ccc(Br)cc3)c2)CCOCC1 ZINC000675554367 565909112 /nfs/dbraw/zinc/90/91/12/565909112.db2.gz YDXYCPKPPRAQSK-UHFFFAOYSA-N 1 0 380.286 2.656 20 0 GFADRO CCN1C[C@H](C[NH2+]Cc2nc(-c3ccc(Br)cc3)c[nH]2)CC1=O ZINC000652001520 565909404 /nfs/dbraw/zinc/90/94/04/565909404.db2.gz WNLONEJVQYYCCT-LBPRGKRZSA-N 1 0 377.286 2.797 20 0 GFADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)c3nc4cc(Cl)ccc4s3)CC2)C1 ZINC000652012014 565911012 /nfs/dbraw/zinc/91/10/12/565911012.db2.gz ATVRFAWTBFETQG-AWEZNQCLSA-N 1 0 378.929 2.802 20 0 GFADRO CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]C2CCN(CC(F)F)CC2)cc1 ZINC000675791858 565916116 /nfs/dbraw/zinc/91/61/16/565916116.db2.gz HBECWIFNGAUYHF-CYBMUJFWSA-N 1 0 375.485 2.828 20 0 GFADRO CCO[C@@H]1CN(C(=O)N[C@@H](C)CCc2ccc(Br)cc2)C[C@H]1C[NH3+] ZINC000652137812 565916547 /nfs/dbraw/zinc/91/65/47/565916547.db2.gz XLCQCBUCKAQHTL-YSVLISHTSA-N 1 0 398.345 2.775 20 0 GFADRO C[N@@H+]1CCCN(CCCNC(=O)C(C)(C)c2ccc(Br)cc2)CC1 ZINC000603899681 565917700 /nfs/dbraw/zinc/91/77/00/565917700.db2.gz GGXSVMHNQPOTQQ-UHFFFAOYSA-N 1 0 396.373 2.871 20 0 GFADRO C[C@@H](Oc1ccc(Cl)c(Cl)c1)C(=O)NCCCN1CCC[N@H+](C)CC1 ZINC000603900225 565917999 /nfs/dbraw/zinc/91/79/99/565917999.db2.gz YRVIOJJPKPDVKS-CQSZACIVSA-N 1 0 388.339 2.905 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc2cncc(Br)c2n1 ZINC000630750228 565918601 /nfs/dbraw/zinc/91/86/01/565918601.db2.gz XYJPVRCTSZTHSA-HIFRSBDPSA-N 1 0 375.270 2.749 20 0 GFADRO C[NH2+]Cc1ccccc1CNC(=O)NCCCCn1cc(Br)cn1 ZINC000652185553 565918694 /nfs/dbraw/zinc/91/86/94/565918694.db2.gz LSBIRFVRPDLXSE-UHFFFAOYSA-N 1 0 394.317 2.645 20 0 GFADRO C[C@@H](Oc1ccc(Cl)cc1Cl)[C@H](C)[NH2+][C@H]1CCN(S(C)(=O)=O)C1 ZINC000652242465 565919584 /nfs/dbraw/zinc/91/95/84/565919584.db2.gz UZVWZPJOXCBWNY-LOWVWBTDSA-N 1 0 381.325 2.773 20 0 GFADRO CN(C(=O)NCCC1CC[NH2+]CC1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000652321263 565921985 /nfs/dbraw/zinc/92/19/85/565921985.db2.gz ZXEMXSRTZRPZRQ-IRXDYDNUSA-N 1 0 386.323 2.983 20 0 GFADRO COc1ccc(Br)c(CN(C)C(=O)NCCC2CC[NH2+]CC2)c1 ZINC000652319791 565922175 /nfs/dbraw/zinc/92/21/75/565922175.db2.gz HXNFVBIHHXSTKV-UHFFFAOYSA-N 1 0 384.318 2.989 20 0 GFADRO C[C@H]1CCCN(CCS(=O)(=O)c2cccc(Br)c2)[C@@H]1CC[NH3+] ZINC000652354538 565923547 /nfs/dbraw/zinc/92/35/47/565923547.db2.gz BOTOUCPRWMYCGV-XJKSGUPXSA-N 1 0 389.359 2.672 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(S(=O)(=O)c3cccc(Cl)c3Cl)C2)C1 ZINC000652374942 565925673 /nfs/dbraw/zinc/92/56/73/565925673.db2.gz DXXABEPKIHMRDF-SCRDCRAPSA-N 1 0 393.336 2.900 20 0 GFADRO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCN(S(=O)(=O)Cc3ccc(F)c(Cl)c3)C2)C1 ZINC000652374412 565925707 /nfs/dbraw/zinc/92/57/07/565925707.db2.gz QSTQOZICFDNRAC-CKEIUWERSA-N 1 0 390.908 2.527 20 0 GFADRO Cc1cc(S(=O)(=O)N2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)c(Cl)cc1F ZINC000652375705 565925754 /nfs/dbraw/zinc/92/57/54/565925754.db2.gz XWNNSJQKYOPZCG-WOSRLPQWSA-N 1 0 390.908 2.695 20 0 GFADRO Cc1ccc(Br)c(S(=O)(=O)N2CCC[C@@H](C)[C@H]2CC[NH3+])c1 ZINC000652378114 565926597 /nfs/dbraw/zinc/92/65/97/565926597.db2.gz YRNFTZULRCWXFE-TZMCWYRMSA-N 1 0 375.332 2.896 20 0 GFADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)NCc3ccc(Cl)cc3Cl)CC2)C1 ZINC000604631510 565933588 /nfs/dbraw/zinc/93/35/88/565933588.db2.gz LLKXEFBDHMEFMN-INIZCTEOSA-N 1 0 385.339 2.915 20 0 GFADRO Cc1nc(S(=O)(=O)NCC2CC[NH+](Cc3ccccc3)CC2)sc1C ZINC000676413887 565935842 /nfs/dbraw/zinc/93/58/42/565935842.db2.gz KJJNHCFSUOGZOI-UHFFFAOYSA-N 1 0 379.551 2.950 20 0 GFADRO O=C(NCCC1CC[NH2+]CC1)C(=O)Nc1cc(Cl)ccc1Br ZINC000652643268 565937453 /nfs/dbraw/zinc/93/74/53/565937453.db2.gz CAWKAVMSVDMGRV-UHFFFAOYSA-N 1 0 388.693 2.547 20 0 GFADRO OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1ccncc1Br ZINC000631079114 565938010 /nfs/dbraw/zinc/93/80/10/565938010.db2.gz YVQSAWTYJQVGNP-HKUYNNGSSA-N 1 0 390.325 2.817 20 0 GFADRO Brc1cccc(C2(C[NH2+]Cc3cn(C[C@@H]4CCOC4)nn3)CC2)c1 ZINC000631074207 565938396 /nfs/dbraw/zinc/93/83/96/565938396.db2.gz UXTPRYRBVQSFGJ-AWEZNQCLSA-N 1 0 391.313 2.899 20 0 GFADRO COCCOC1CC[NH+](C[C@@H](O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000604903177 565939573 /nfs/dbraw/zinc/93/95/73/565939573.db2.gz TXEQOGQNLDDBQE-CYBMUJFWSA-N 1 0 378.296 2.861 20 0 GFADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)COC1CCOCC1 ZINC000604944090 565940733 /nfs/dbraw/zinc/94/07/33/565940733.db2.gz DSBTWRJEOIKWPL-UHFFFAOYSA-N 1 0 399.329 2.535 20 0 GFADRO NS(=O)(=O)c1cc(C[NH2+][C@H]2CCOC3(CCSCC3)C2)ccc1Cl ZINC000631097697 565941748 /nfs/dbraw/zinc/94/17/48/565941748.db2.gz FHJHZPCSJAKALW-ZDUSSCGKSA-N 1 0 390.958 2.522 20 0 GFADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)NCCc2ccc(Br)cc2)C1 ZINC000605019066 565943933 /nfs/dbraw/zinc/94/39/33/565943933.db2.gz LRQQLNBVSAFMTC-QGZVFWFLSA-N 1 0 398.345 2.648 20 0 GFADRO Cc1c(Br)cccc1C[C@@H](CO)C[NH2+]Cc1ncnn1C(C)C ZINC000631153567 565945185 /nfs/dbraw/zinc/94/51/85/565945185.db2.gz AOZASYRRXSHLKD-CQSZACIVSA-N 1 0 381.318 2.871 20 0 GFADRO COCC[N@@H+]1CCC[C@@H](NC(=O)c2cc(F)c(F)cc2Br)C1 ZINC000676730451 565945914 /nfs/dbraw/zinc/94/59/14/565945914.db2.gz OLDZVDBTCXIFHS-SNVBAGLBSA-N 1 0 377.229 2.568 20 0 GFADRO C[C@@H]1COCCC[N@@H+]1C[C@H](O)COc1ccc(Cl)cc1Br ZINC000676711760 565946526 /nfs/dbraw/zinc/94/65/26/565946526.db2.gz HVDUZWASHWTAOH-YPMHNXCESA-N 1 0 378.694 2.953 20 0 GFADRO C[C@@H]1CC[N@H+](C)CCN1C(=O)c1nn(-c2ccc(F)cc2)cc1Br ZINC000605128439 565946759 /nfs/dbraw/zinc/94/67/59/565946759.db2.gz CCBXTSYLTKNTOZ-GFCCVEGCSA-N 1 0 395.276 2.940 20 0 GFADRO COCCc1ncc(C[NH2+]C[C@@H]2CN(c3ccc(Cl)cc3)CCO2)s1 ZINC000631182396 565947113 /nfs/dbraw/zinc/94/71/13/565947113.db2.gz ZFVGHBHTZAJWML-MRXNPFEDSA-N 1 0 381.929 2.980 20 0 GFADRO CCOc1ccc(Br)cc1NC(=O)N[C@H]1CC[N@H+](CCOC)C1 ZINC000605415416 565950960 /nfs/dbraw/zinc/95/09/60/565950960.db2.gz LSZLUYUXKTYPHP-ZDUSSCGKSA-N 1 0 386.290 2.690 20 0 GFADRO CC[NH+]1CCN([C@H](C)CNC(=O)c2ccc(-c3csc(C)n3)s2)CC1 ZINC000631279268 565952055 /nfs/dbraw/zinc/95/20/55/565952055.db2.gz CBVVLWPFXWGJGR-CYBMUJFWSA-N 1 0 378.567 2.936 20 0 GFADRO C[C@H](NC(=O)[C@H]1CC[C@H](C2CC2)[NH2+]1)c1cc2c(cc1Br)OCCO2 ZINC000653074866 565952886 /nfs/dbraw/zinc/95/28/86/565952886.db2.gz YMVFKFKJEBRWEJ-COLVAYQJSA-N 1 0 395.297 2.928 20 0 GFADRO C[NH+](C)C1(CNC(=O)[C@@H]2C[C@@]2(C)c2cccc(Br)c2)CCOCC1 ZINC000631307981 565953163 /nfs/dbraw/zinc/95/31/63/565953163.db2.gz LMEHOJQNSNPQLJ-WMZOPIPTSA-N 1 0 395.341 2.954 20 0 GFADRO O=C([C@H]1CCC[NH2+]CC1)N1CCN(Cc2ccc(Br)s2)CC1 ZINC000653106080 565955084 /nfs/dbraw/zinc/95/50/84/565955084.db2.gz RXVALDSZYJOGSP-ZDUSSCGKSA-N 1 0 386.359 2.545 20 0 GFADRO O=C([C@H]1CCC[NH2+]CC1)N1CCN(Cc2cc(Br)ccc2F)CC1 ZINC000653161128 565957138 /nfs/dbraw/zinc/95/71/38/565957138.db2.gz DSIKOLHOSSSXPH-AWEZNQCLSA-N 1 0 398.320 2.622 20 0 GFADRO Cn1nc2cc(Br)ccc2c1C(=O)N1CC2CCC1(C[NH3+])CC2 ZINC000653169167 565957300 /nfs/dbraw/zinc/95/73/00/565957300.db2.gz DMKJXNIIKWWNIZ-UHFFFAOYSA-N 1 0 377.286 2.679 20 0 GFADRO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCN(C(=O)c3cc(F)ccc3Br)C2)C1 ZINC000653190451 565958442 /nfs/dbraw/zinc/95/84/42/565958442.db2.gz KCESXPVTWKKPME-NORZTCDRSA-N 1 0 385.277 2.947 20 0 GFADRO C[C@@H]1CCCN(C(=O)Cc2cc3c(cc2Br)OCCO3)[C@@H]1CC[NH3+] ZINC000653240273 565959809 /nfs/dbraw/zinc/95/98/09/565959809.db2.gz MAZXCFOXZKXPTA-IUODEOHRSA-N 1 0 397.313 2.739 20 0 GFADRO COc1ccc(C(=O)N2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)cc1Br ZINC000653265041 565960260 /nfs/dbraw/zinc/96/02/60/565960260.db2.gz KKKIDCOPQNHGCD-UNEWFSDZSA-N 1 0 397.313 2.959 20 0 GFADRO O=C(CNC(=O)c1sc2ccccc2c1Cl)NCCC1CC[NH2+]CC1 ZINC000653272616 565961564 /nfs/dbraw/zinc/96/15/64/565961564.db2.gz WIKXXHVRNMSJSN-UHFFFAOYSA-N 1 0 379.913 2.790 20 0 GFADRO CC(=O)N[C@H](CC(=O)NCCC1CC[NH2+]CC1)c1ccc(Br)cc1 ZINC000653268855 565961589 /nfs/dbraw/zinc/96/15/89/565961589.db2.gz CLABFHJDKYIWJP-QGZVFWFLSA-N 1 0 396.329 2.522 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2C(=O)Cc2ccc(Br)cc2)C1 ZINC000653267952 565961722 /nfs/dbraw/zinc/96/17/22/565961722.db2.gz YQXAGISUFHWBIZ-ZACQAIPSSA-N 1 0 381.314 2.879 20 0 GFADRO CC[N@@H+]1CCN(C(=O)C2CCN(C(=O)c3ccc(Cl)s3)CC2)C[C@H]1C ZINC000677173625 565963063 /nfs/dbraw/zinc/96/30/63/565963063.db2.gz JPUYQYVXMYTBER-CYBMUJFWSA-N 1 0 383.945 2.806 20 0 GFADRO C[NH+](C)C1CCN(CCNC(=O)c2oc3ccccc3c2Br)CC1 ZINC000631625247 565963881 /nfs/dbraw/zinc/96/38/81/565963881.db2.gz MUGAKFGMUFDYPE-UHFFFAOYSA-N 1 0 394.313 2.951 20 0 GFADRO O=S(=O)(NCC1CC[NH+](Cc2ccccc2)CC1)c1cncc(Cl)c1 ZINC000677239001 565965242 /nfs/dbraw/zinc/96/52/42/565965242.db2.gz KNMVCPYAMDKXTB-UHFFFAOYSA-N 1 0 379.913 2.926 20 0 GFADRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)NCc2n[nH]cc2Br)C1 ZINC000606489252 565965754 /nfs/dbraw/zinc/96/57/54/565965754.db2.gz DIMGKBYRDPOHEG-CHWSQXEVSA-N 1 0 386.338 2.730 20 0 GFADRO O=C(NCCC[NH2+]Cc1cn(-c2cccc(Cl)c2Cl)nn1)C1CCC1 ZINC000677246152 565966489 /nfs/dbraw/zinc/96/64/89/565966489.db2.gz ZDJFJTJZUXFLLK-UHFFFAOYSA-N 1 0 382.295 2.970 20 0 GFADRO C[C@@H]([NH2+][C@@H]1[C@H]2Cc3cc(Br)ccc3[C@@H]12)C1CCS(=O)(=O)CC1 ZINC000631701020 565968593 /nfs/dbraw/zinc/96/85/93/565968593.db2.gz GEKUDVCLIZQEEL-ITDAGMBRSA-N 1 0 384.339 2.890 20 0 GFADRO CNS(=O)(=O)CCC[NH2+][C@H](c1ccco1)c1ccc(Br)cc1 ZINC000631708651 565968662 /nfs/dbraw/zinc/96/86/62/565968662.db2.gz GTCKNUQCEMGJFD-HNNXBMFYSA-N 1 0 387.299 2.660 20 0 GFADRO C[C@H](CNS(=O)(=O)C[C@H]1CCC(F)(F)C1)N1CCc2sccc2C1 ZINC000631726660 565969634 /nfs/dbraw/zinc/96/96/34/565969634.db2.gz GBXYZWFQGKLZGU-OLZOCXBDSA-N 1 0 378.510 2.850 20 0 GFADRO CC(C)[C@H]([NH2+][C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)[C@H](O)C(F)(F)F ZINC000631715647 565970229 /nfs/dbraw/zinc/97/02/29/565970229.db2.gz XVGVWBCPDBYZNR-CQDKDKBSSA-N 1 0 382.448 2.535 20 0 GFADRO C[C@@H]1CCC[N@H+](Cc2ccccc2CNS(=O)(=O)c2c[nH]c(=O)s2)C1 ZINC000631755350 565972501 /nfs/dbraw/zinc/97/25/01/565972501.db2.gz AGJFZCSFBKSNNI-CYBMUJFWSA-N 1 0 381.523 2.559 20 0 GFADRO CC1CC[NH+]([C@@H](CNS(=O)(=O)c2c[nH]c(=O)s2)c2ccccc2)CC1 ZINC000631784246 565975098 /nfs/dbraw/zinc/97/50/98/565975098.db2.gz RBEYGKBPNJBRJN-HNNXBMFYSA-N 1 0 381.523 2.600 20 0 GFADRO OCC[NH2+]C1CCN(Cc2ncc(-c3ccccc3Br)o2)CC1 ZINC000631863113 565978487 /nfs/dbraw/zinc/97/84/87/565978487.db2.gz RBPRVCIKUBDICC-UHFFFAOYSA-N 1 0 380.286 2.650 20 0 GFADRO CN(Cc1cc(Br)cs1)C(=O)C[N@@H+]1CCCCC[C@@H]1CO ZINC000653783589 565981272 /nfs/dbraw/zinc/98/12/72/565981272.db2.gz YNHDRJMLKFVZBL-CYBMUJFWSA-N 1 0 375.332 2.706 20 0 GFADRO C[C@H](c1ccc(Cl)cc1Cl)N(C)S(=O)(=O)N(C)C1CC[NH2+]CC1 ZINC000631911614 565982128 /nfs/dbraw/zinc/98/21/28/565982128.db2.gz LKEBXKMNBKJJQQ-LLVKDONJSA-N 1 0 380.341 2.915 20 0 GFADRO [NH3+][C@H]1CCN(S(=O)(=O)c2csnc2-c2cccc(C(F)(F)F)c2)C1 ZINC000631902564 565982616 /nfs/dbraw/zinc/98/26/16/565982616.db2.gz LFPOSRZVJJKRBN-NSHDSACASA-N 1 0 377.413 2.551 20 0 GFADRO CCc1csc(CC2CC[NH+](C[C@@H]3CCCN(S(C)(=O)=O)C3)CC2)n1 ZINC000653803014 565983262 /nfs/dbraw/zinc/98/32/62/565983262.db2.gz YMWUJZHLYNOMEZ-INIZCTEOSA-N 1 0 385.599 2.632 20 0 GFADRO O=c1[nH]c2ccc(S(=O)(=O)N3CCCC[C@@H]([NH+]4CCCC4)C3)cc2s1 ZINC000631923546 565983344 /nfs/dbraw/zinc/98/33/44/565983344.db2.gz VSVYYZIFGHOVOB-CYBMUJFWSA-N 1 0 381.523 2.641 20 0 GFADRO O=S(=O)(c1cscc1Br)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000631942546 565984272 /nfs/dbraw/zinc/98/42/72/565984272.db2.gz ALVCWIOZJTXZIU-CMPLNLGQSA-N 1 0 379.345 2.663 20 0 GFADRO O=S(=O)(c1cscc1Br)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000631942549 565985017 /nfs/dbraw/zinc/98/50/17/565985017.db2.gz ALVCWIOZJTXZIU-ZYHUDNBSSA-N 1 0 379.345 2.663 20 0 GFADRO O=C(CCCc1cccc(Br)c1)NCCN1C[C@H]2CC[C@@H](C1)O2 ZINC000653864463 565985859 /nfs/dbraw/zinc/98/58/59/565985859.db2.gz WFKBHHDGCMWCQD-CALCHBBNSA-N 1 0 381.314 2.751 20 0 GFADRO CC[C@H]([NH2+]Cc1cc(=O)n2cc(Br)ccc2n1)[C@H]1CCCCO1 ZINC000653876180 565986017 /nfs/dbraw/zinc/98/60/17/565986017.db2.gz CDNCJLZWJGNTLU-LSDHHAIUSA-N 1 0 380.286 2.894 20 0 GFADRO COc1ccc(Br)cc1C(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000607621115 565986306 /nfs/dbraw/zinc/98/63/06/565986306.db2.gz WKOBMPLRIJOOOE-CQSZACIVSA-N 1 0 385.302 2.544 20 0 GFADRO CO[C@@H](C(=O)Nc1ccnn1CC[NH+](C)C)c1ccccc1Br ZINC000653852044 565986329 /nfs/dbraw/zinc/98/63/29/565986329.db2.gz KOMYTHASBNZYAG-OAHLLOKOSA-N 1 0 381.274 2.533 20 0 GFADRO Cc1cccc(S(=O)(=O)N2CCOc3ccc(C[NH3+])cc32)c1Br ZINC000631959521 565986754 /nfs/dbraw/zinc/98/67/54/565986754.db2.gz VZFMXKOMNKFZRR-UHFFFAOYSA-N 1 0 397.294 2.804 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(Cl)c(NS(C)(=O)=O)c2)[C@@H](C)C1 ZINC000607664305 565987173 /nfs/dbraw/zinc/98/71/73/565987173.db2.gz BMMAGKBZLDJOSC-LRDDRELGSA-N 1 0 387.933 2.514 20 0 GFADRO CN(C(=O)[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)[C@H]1CCC[N@H+](C)C1 ZINC000607687198 565987579 /nfs/dbraw/zinc/98/75/79/565987579.db2.gz RHIHUUZKCHEXLA-UONOGXRCSA-N 1 0 384.307 2.899 20 0 GFADRO CC1(C)C[NH2+]CC[C@@H](NS(=O)(=O)Cc2cccc(Br)c2)C1 ZINC000631977076 565987778 /nfs/dbraw/zinc/98/77/78/565987778.db2.gz LFSRGQBLJMCOJI-CQSZACIVSA-N 1 0 375.332 2.647 20 0 GFADRO Cc1ccc(Br)cc1C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000607909983 565992424 /nfs/dbraw/zinc/99/24/24/565992424.db2.gz SFIPYARERRJVSO-MRXNPFEDSA-N 1 0 380.330 2.610 20 0 GFADRO C[C@H](C(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)c1ccc(Br)cc1 ZINC000678023174 565994385 /nfs/dbraw/zinc/99/43/85/565994385.db2.gz OVICZYRGMGXOEM-JQFCIGGWSA-N 1 0 381.314 2.610 20 0 GFADRO CC[C@H](C)[NH+]1CCN(C(=O)c2cnc3ncc(Br)cc3c2)CC1 ZINC000654137596 565999569 /nfs/dbraw/zinc/99/95/69/565999569.db2.gz OQOYWGYTXNSVAC-LBPRGKRZSA-N 1 0 377.286 2.949 20 0 GFADRO C[C@@H]1C[C@@H]1N1C[C@H]([NH2+]CC2=Cc3cc(Br)ccc3OC2)CC1=O ZINC000608072037 566002147 /nfs/dbraw/zinc/00/21/47/566002147.db2.gz LQWAXEKXEYNLIV-LYRGGWFBSA-N 1 0 377.282 2.824 20 0 GFADRO C[C@@H]1C[C@@H]1N1C[C@@H]([NH2+]CC2=Cc3cc(Br)ccc3OC2)CC1=O ZINC000608072040 566002155 /nfs/dbraw/zinc/00/21/55/566002155.db2.gz LQWAXEKXEYNLIV-RLCCDNCMSA-N 1 0 377.282 2.824 20 0 GFADRO CC[NH+]1CCC(NC(=O)N2CCOc3cccc(Br)c3C2)CC1 ZINC000654351618 566007271 /nfs/dbraw/zinc/00/72/71/566007271.db2.gz LAICTJALCWREST-UHFFFAOYSA-N 1 0 382.302 2.837 20 0 GFADRO CO[C@H](C(=O)N1CCN(c2cc[nH+]cc2)CC1)c1ccccc1Br ZINC000654405537 566008566 /nfs/dbraw/zinc/00/85/66/566008566.db2.gz OVCZAOJBABGPLK-KRWDZBQOSA-N 1 0 390.281 2.880 20 0 GFADRO C[C@H](Cc1ccc(Br)cc1F)[NH2+][C@@H]1CCN(C2CCOCC2)C1=O ZINC000678593898 566013350 /nfs/dbraw/zinc/01/33/50/566013350.db2.gz AXYLRSHFDWAJER-SJKOYZFVSA-N 1 0 399.304 2.889 20 0 GFADRO O=S(=O)(C1CC1)N1CCC([NH2+][C@H]2CCc3cc(Br)ccc32)CC1 ZINC000678596412 566013894 /nfs/dbraw/zinc/01/38/94/566013894.db2.gz MYVOKANWVSLVTH-KRWDZBQOSA-N 1 0 399.354 2.983 20 0 GFADRO CCn1ccnc1CNC(=O)N1CCOc2cccc(Br)c2C1 ZINC000654578804 566015622 /nfs/dbraw/zinc/01/56/22/566015622.db2.gz GRCVGKBRFZWPJK-UHFFFAOYSA-N 1 0 379.258 2.770 20 0 GFADRO CC[NH+](CC)C[C@H]1CCN(C(=O)CNC(=O)c2ccc(Cl)cc2Cl)C1 ZINC000608478705 566016195 /nfs/dbraw/zinc/01/61/95/566016195.db2.gz WXCKDEWYUIXYAH-CYBMUJFWSA-N 1 0 386.323 2.914 20 0 GFADRO CSc1cc(Br)ccc1C(=O)N[C@H](C)CN1CC[NH+](C)CC1 ZINC000654756692 566020772 /nfs/dbraw/zinc/02/07/72/566020772.db2.gz FTVICXUDZPCWSH-GFCCVEGCSA-N 1 0 386.359 2.537 20 0 GFADRO Cc1cc(NC(=O)C[NH2+][C@H](C(=O)N2CCCC2)C(C)C)ccc1Br ZINC000678777550 566020871 /nfs/dbraw/zinc/02/08/71/566020871.db2.gz ZAYJFPOQDMXGER-KRWDZBQOSA-N 1 0 396.329 2.933 20 0 GFADRO O=C(N[C@H](CO)c1ccc(Br)cc1)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000654732178 566021102 /nfs/dbraw/zinc/02/11/02/566021102.db2.gz UJBPEBCBLPLPJN-BRWVUGGUSA-N 1 0 396.329 2.799 20 0 GFADRO COCCN(CC[NH+](C)C)C(=O)c1ccc(Br)cc1SC ZINC000654735544 566021202 /nfs/dbraw/zinc/02/12/02/566021202.db2.gz SQELWWFTHCZNBZ-UHFFFAOYSA-N 1 0 375.332 2.821 20 0 GFADRO CC(C)(CO)[NH+]1CCN(Cc2ccc(OC(F)F)c(Br)c2)CC1 ZINC000678831743 566021949 /nfs/dbraw/zinc/02/19/49/566021949.db2.gz VTAPTBLINMEUOU-UHFFFAOYSA-N 1 0 393.272 2.939 20 0 GFADRO CC1(C)[C@H]([NH2+]CCS(=O)(=O)c2ccc(Br)cc2)[C@@H]2CCO[C@@H]21 ZINC000678928845 566025424 /nfs/dbraw/zinc/02/54/24/566025424.db2.gz XXAQVKINEPQWIF-ZNMIVQPWSA-N 1 0 388.327 2.626 20 0 GFADRO C[C@@H](NS(=O)(=O)CCC[NH+](C)C)c1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC000632407666 566029493 /nfs/dbraw/zinc/02/94/93/566029493.db2.gz BGNKNSGWWGQGPE-SECBINFHSA-N 1 0 379.313 2.802 20 0 GFADRO CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cccc(C)c1Br ZINC000632408720 566029669 /nfs/dbraw/zinc/02/96/69/566029669.db2.gz RSXJQPBJRXUHON-UHFFFAOYSA-N 1 0 375.332 2.862 20 0 GFADRO COC[C@@](C)(CO)[NH2+]Cc1cc(Br)c(OC(F)F)c(OC)c1 ZINC000679117594 566030169 /nfs/dbraw/zinc/03/01/69/566030169.db2.gz KLOZVGFUBYRHFW-CQSZACIVSA-N 1 0 384.217 2.546 20 0 GFADRO COCC[C@H](NS(=O)(=O)CCC[NH+](C)C)c1cccc(C(F)(F)F)c1 ZINC000632415301 566030954 /nfs/dbraw/zinc/03/09/54/566030954.db2.gz YOTHLSBEUIWOOQ-HNNXBMFYSA-N 1 0 382.448 2.654 20 0 GFADRO O=C(Nc1ccc(Br)c(F)c1)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000654948061 566031240 /nfs/dbraw/zinc/03/12/40/566031240.db2.gz XNXPPCWJPAKLBH-LSDHHAIUSA-N 1 0 398.276 2.660 20 0 GFADRO Cc1cccc(NC(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)c1Br ZINC000654948627 566031495 /nfs/dbraw/zinc/03/14/95/566031495.db2.gz DWMITHRUIULOKA-UKRRQHHQSA-N 1 0 394.313 2.829 20 0 GFADRO CC(C)(CO)[NH+]1CCN(C(=O)CCCc2ccc(Br)s2)CC1 ZINC000679317659 566036252 /nfs/dbraw/zinc/03/62/52/566036252.db2.gz USTQRYWCCIORSH-UHFFFAOYSA-N 1 0 389.359 2.748 20 0 GFADRO CC[NH+](CC)CC[C@@H](CO)NC(=O)CCc1ccc(Br)cc1F ZINC000655047779 566037540 /nfs/dbraw/zinc/03/75/40/566037540.db2.gz PTSHMLTWYKNWHG-HNNXBMFYSA-N 1 0 389.309 2.730 20 0 GFADRO COc1cc(C[NH2+][C@H](C)C(C)(C)O)cc(I)c1OC ZINC000609707792 566049931 /nfs/dbraw/zinc/04/99/31/566049931.db2.gz BNCHEYYRTMGERJ-SECBINFHSA-N 1 0 379.238 2.557 20 0 GFADRO O=C(N[C@@H](CCO)c1ccccc1Br)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000679782276 566053083 /nfs/dbraw/zinc/05/30/83/566053083.db2.gz WVAYDUBUEGXJKI-YOEHRIQHSA-N 1 0 396.329 2.656 20 0 GFADRO CSc1cc(Br)ccc1C(=O)NC[C@](C)(O)CC[NH+](C)C ZINC000655393199 566055558 /nfs/dbraw/zinc/05/55/58/566055558.db2.gz SYAZLIRNBVWRBV-OAHLLOKOSA-N 1 0 375.332 2.604 20 0 GFADRO CCC1([NH+](C)C)CCN(S(=O)(=O)c2cc(Cl)c(OC)cc2OC)CC1 ZINC000632660090 566056556 /nfs/dbraw/zinc/05/65/56/566056556.db2.gz FLYCHKQWFIDTFR-UHFFFAOYSA-N 1 0 390.933 2.852 20 0 GFADRO CO[C@H](C(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)c1ccccc1Br ZINC000655464956 566057025 /nfs/dbraw/zinc/05/70/25/566057025.db2.gz NOGPFCWAWBUIAP-KEYYUXOJSA-N 1 0 381.314 2.985 20 0 GFADRO Cc1c(Br)cccc1CS(=O)(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000655477532 566058503 /nfs/dbraw/zinc/05/85/03/566058503.db2.gz POXFJUATTZCNRM-HZPDHXFCSA-N 1 0 387.343 2.804 20 0 GFADRO CC[N@@H+]1CCC[C@H](CNS(=O)(=O)Cc2cccc(Br)c2C)C1 ZINC000655492901 566060009 /nfs/dbraw/zinc/06/00/09/566060009.db2.gz HQCHAXVIBGYPAE-CQSZACIVSA-N 1 0 389.359 2.909 20 0 GFADRO O=C(NCCCc1cccc(Br)c1)NC[C@H]1CCCC[N@H+]1CCO ZINC000655505860 566060759 /nfs/dbraw/zinc/06/07/59/566060759.db2.gz UWBYGIHYCNMUKQ-QGZVFWFLSA-N 1 0 398.345 2.528 20 0 GFADRO CC(C)([NH3+])c1nocc1C(=O)N1CCOc2cccc(Br)c2C1 ZINC000655503548 566061010 /nfs/dbraw/zinc/06/10/10/566061010.db2.gz UJGRROIAMYPQTP-UHFFFAOYSA-N 1 0 380.242 2.666 20 0 GFADRO Cc1c(Br)cccc1CS(=O)(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000655504643 566061328 /nfs/dbraw/zinc/06/13/28/566061328.db2.gz GQXCLEDPSGRUCR-OAHLLOKOSA-N 1 0 387.343 2.756 20 0 GFADRO O=C([C@H]1Cc2ccccc2C[NH2+]1)N1CCOc2cccc(Br)c2C1 ZINC000655504904 566061637 /nfs/dbraw/zinc/06/16/37/566061637.db2.gz WIIFPHGUEUWIOI-QGZVFWFLSA-N 1 0 387.277 2.885 20 0 GFADRO OCCC[N@H+](CCCOc1cccc(I)c1)C1CC1 ZINC000610133008 566068161 /nfs/dbraw/zinc/06/81/61/566068161.db2.gz SPRDOUIXLVWGQW-UHFFFAOYSA-N 1 0 375.250 2.907 20 0 GFADRO [NH3+]C[C@H]1Cc2ccccc2N(C(=O)c2cc3c(c(Br)c2)OCO3)C1 ZINC000632867401 566072075 /nfs/dbraw/zinc/07/20/75/566072075.db2.gz XVVRQJSMJMEIHB-LLVKDONJSA-N 1 0 389.249 2.956 20 0 GFADRO O=C(c1cn(-c2ccc(Br)cc2)cn1)N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000632872742 566072250 /nfs/dbraw/zinc/07/22/50/566072250.db2.gz AWEGRKXYIWGMSM-GUYCJALGSA-N 1 0 389.297 2.849 20 0 GFADRO [NH3+]C[C@@H]1Cc2ccccc2N(C(=O)c2sc3c(c2Br)CNC3)C1 ZINC000632869489 566072398 /nfs/dbraw/zinc/07/23/98/566072398.db2.gz MIIQNAMNBOZSFN-JTQLQIEISA-N 1 0 392.322 2.892 20 0 GFADRO O=C(Nc1cc(Br)ccc1Br)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000632895551 566073285 /nfs/dbraw/zinc/07/32/85/566073285.db2.gz QMMZQQKAYXOGNS-IUCAKERBSA-N 1 0 375.064 2.790 20 0 GFADRO C[C@@H]1C[C@H]([NH3+])CN1C(=O)Nc1ccnn1Cc1ccccc1Br ZINC000632936230 566075220 /nfs/dbraw/zinc/07/52/20/566075220.db2.gz ISXMKAJNDZKCCC-YPMHNXCESA-N 1 0 378.274 2.647 20 0 GFADRO COC(=O)c1cc(NC(=O)N[C@@H](C)CC[NH+](C)C)c(Br)cc1F ZINC000610328290 566077800 /nfs/dbraw/zinc/07/78/00/566077800.db2.gz UTUIPJXKYZFSKY-VIFPVBQESA-N 1 0 390.253 2.837 20 0 GFADRO [NH3+]C[C@H]1CC[C@H](NC(=O)C(=O)Nc2ccc(OC(F)F)c(Cl)c2)CC1 ZINC000633036103 566080480 /nfs/dbraw/zinc/08/04/80/566080480.db2.gz HIDFCLBIHCLNSY-MGCOHNPYSA-N 1 0 375.803 2.514 20 0 GFADRO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)Nc1cccc(Cl)c1SCC(F)F ZINC000633040374 566080925 /nfs/dbraw/zinc/08/09/25/566080925.db2.gz XBBRNGZHDXAVAN-RKDXNWHRSA-N 1 0 377.844 2.584 20 0 GFADRO [NH3+]CC1(NC(=O)C(=O)Nc2ccc(Cl)cc2OC(F)F)CCCCC1 ZINC000633049136 566081955 /nfs/dbraw/zinc/08/19/55/566081955.db2.gz SZAVIHNORHCTKN-UHFFFAOYSA-N 1 0 375.803 2.658 20 0 GFADRO C[C@@H]1CC[C@H]([NH2+]Cc2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)CS1 ZINC000655701481 566082706 /nfs/dbraw/zinc/08/27/06/566082706.db2.gz FWSMVZRAIZZQFF-HYVNUMGLSA-N 1 0 384.567 2.518 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)N[C@@H]2[C@@H]3Cc4c(cccc4Br)[C@@H]32)CC[N@@H+]1C ZINC000633095187 566083613 /nfs/dbraw/zinc/08/36/13/566083613.db2.gz ZXGMWTGTALUINR-ZNVAPMETSA-N 1 0 378.314 2.869 20 0 GFADRO Cc1nn(-c2cccc(Br)c2)cc1C[NH2+][C@H](C)[C@@H]1CN(C)CCO1 ZINC000655747771 566085046 /nfs/dbraw/zinc/08/50/46/566085046.db2.gz WUJYVTURUTYBIU-KDOFPFPSSA-N 1 0 393.329 2.752 20 0 GFADRO C[N@@H+]1CC[C@@]2(CCN(C(=O)c3ccc4cncc(Br)c4n3)C2)C1 ZINC000633189052 566088356 /nfs/dbraw/zinc/08/83/56/566088356.db2.gz TUKAXKKMJZAVNE-QGZVFWFLSA-N 1 0 375.270 2.560 20 0 GFADRO O=C1NC(=O)C2(CCC([NH2+]Cc3oc4ccccc4c3Br)CC2)N1 ZINC000655774011 566088484 /nfs/dbraw/zinc/08/84/84/566088484.db2.gz NSPWPLKCSFZESW-UHFFFAOYSA-N 1 0 392.253 2.806 20 0 GFADRO COc1ccc(C[C@H](CO)C[NH2+][C@@H]2CCCn3ccnc32)cc1Br ZINC000655774003 566089054 /nfs/dbraw/zinc/08/90/54/566089054.db2.gz NIKSCZKDHWJHCH-GOEBONIOSA-N 1 0 394.313 2.930 20 0 GFADRO CCC1([NH+](C)C)CCN(C(=O)NCc2ccc(S(=O)(=O)CC)s2)CC1 ZINC000633198158 566089891 /nfs/dbraw/zinc/08/98/91/566089891.db2.gz BKYBDLXBYBKRQA-UHFFFAOYSA-N 1 0 387.571 2.558 20 0 GFADRO Cc1nn(-c2ccccc2Br)cc1C[NH2+]C[C@]1(C)CCC(=O)N1 ZINC000655791936 566090015 /nfs/dbraw/zinc/09/00/15/566090015.db2.gz HLOUJBDXMNCYPQ-KRWDZBQOSA-N 1 0 377.286 2.702 20 0 GFADRO Cc1cc(N2CCC[C@@H]([N@H+](C)C[C@H](O)C3CC3)C2=O)ccc1Br ZINC000680984284 566090182 /nfs/dbraw/zinc/09/01/82/566090182.db2.gz DWJGKJYNTKSWBX-SJORKVTESA-N 1 0 381.314 2.956 20 0 GFADRO CO[C@@](C)(CO)C[NH2+]Cc1cc(Br)ccc1OCc1ccccn1 ZINC000655808878 566090163 /nfs/dbraw/zinc/09/01/63/566090163.db2.gz KSUOXHFLFHAHHI-GOSISDBHSA-N 1 0 395.297 2.910 20 0 GFADRO CN1CCC[C@H]([NH2+]Cc2cc(Br)cc(Br)c2N)C1 ZINC000681113019 566094644 /nfs/dbraw/zinc/09/46/44/566094644.db2.gz UXDSFQBVOBMMOY-NSHDSACASA-N 1 0 377.124 2.978 20 0 GFADRO CCN(CCOc1ccc(Br)cc1)C(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000655918286 566095558 /nfs/dbraw/zinc/09/55/58/566095558.db2.gz JAQWLOKHTUESIA-LBPRGKRZSA-N 1 0 398.223 2.749 20 0 GFADRO CC(C)c1cc(Br)ccc1NC(=O)C(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000655958966 566098579 /nfs/dbraw/zinc/09/85/79/566098579.db2.gz QYDIPDPFTNQSBS-NSHDSACASA-N 1 0 396.207 2.517 20 0 GFADRO COCC[N@@H+]1CCC[C@@H](NC(=O)CCc2ccc(C)cc2Br)C1 ZINC000681229090 566098973 /nfs/dbraw/zinc/09/89/73/566098973.db2.gz AUQVYIKKGXKPGV-MRXNPFEDSA-N 1 0 383.330 2.917 20 0 GFADRO C[NH2+]CC1CCN(S(=O)(=O)Cc2cccc(Br)c2C)CC1 ZINC000655950484 566099478 /nfs/dbraw/zinc/09/94/78/566099478.db2.gz MDPVZFCMQLPERW-UHFFFAOYSA-N 1 0 375.332 2.519 20 0 GFADRO O=C(c1cccc(F)c1I)N1CC[NH+](CC2CC2)CC1 ZINC000611002058 566110475 /nfs/dbraw/zinc/11/04/75/566110475.db2.gz OBALNIALBVGGAQ-UHFFFAOYSA-N 1 0 388.224 2.598 20 0 GFADRO NS(=O)(=O)c1ccc(N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1C(F)(F)F ZINC000656225142 566114142 /nfs/dbraw/zinc/11/41/42/566114142.db2.gz DQQJFZIAVVESQQ-KGLIPLIRSA-N 1 0 377.432 2.782 20 0 GFADRO Cc1nn(-c2cccc(Br)c2)cc1C[NH+]1CCC(C(N)=O)CC1 ZINC000656248284 566115764 /nfs/dbraw/zinc/11/57/64/566115764.db2.gz PIOPCJCWOXYFDX-UHFFFAOYSA-N 1 0 377.286 2.641 20 0 GFADRO O=C(Cc1ccc(F)cc1Br)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000681620573 566118483 /nfs/dbraw/zinc/11/84/83/566118483.db2.gz CYOLPOYRZXXWQD-INIZCTEOSA-N 1 0 399.304 2.844 20 0 GFADRO Cc1nn(-c2ccccc2Br)cc1C[N@@H+]1CC[C@@](C)(C(N)=O)C1 ZINC000656257636 566118780 /nfs/dbraw/zinc/11/87/80/566118780.db2.gz JUFARHKUEPNSSB-QGZVFWFLSA-N 1 0 377.286 2.641 20 0 GFADRO COC(=O)c1sc2ccccc2c1CNC(=O)C[N@H+](C)[C@@H]1CCSC1 ZINC000611203221 566121324 /nfs/dbraw/zinc/12/13/24/566121324.db2.gz DQEFVQPVOROIJC-GFCCVEGCSA-N 1 0 378.519 2.741 20 0 GFADRO O=C(NCc1c(Cl)cccc1Cl)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000656296181 566123295 /nfs/dbraw/zinc/12/32/95/566123295.db2.gz GTXKXKCIHSBUMH-CVEARBPZSA-N 1 0 384.307 2.743 20 0 GFADRO CC[NH2+]Cc1ccn(Cc2cn(Cc3ccc(Br)s3)nn2)n1 ZINC000656445094 566126862 /nfs/dbraw/zinc/12/68/62/566126862.db2.gz RZWMQKHWVHCQNG-UHFFFAOYSA-N 1 0 381.303 2.505 20 0 GFADRO C[C@H]1C[C@@H](N(C)C(=O)c2cnc3ncc(Br)cc3c2)CC[N@@H+]1C ZINC000682000671 566137741 /nfs/dbraw/zinc/13/77/41/566137741.db2.gz DSZDLACJIVJFJD-NHYWBVRUSA-N 1 0 377.286 2.947 20 0 GFADRO CCOC(=O)COc1c(Br)cc(C)cc1C[NH2+]CC(C)(C)CO ZINC000611622336 566139789 /nfs/dbraw/zinc/13/97/89/566139789.db2.gz WDNMNYUAUXYACR-UHFFFAOYSA-N 1 0 388.302 2.808 20 0 GFADRO COC(=O)[C@H](c1cccc(Cl)c1Cl)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000611661628 566139796 /nfs/dbraw/zinc/13/97/96/566139796.db2.gz RMDGPPIKYZIMLA-INMHGKMJSA-N 1 0 387.307 2.739 20 0 GFADRO C[NH+](C)Cc1ccc(C(=O)N[C@@H]2[C@H]3Cc4cc(Br)ccc4[C@@H]23)cn1 ZINC000634037911 566139849 /nfs/dbraw/zinc/13/98/49/566139849.db2.gz YVMXRNRJUBNWGX-RCCFBDPRSA-N 1 0 386.293 2.974 20 0 GFADRO CC[N@@H+]1CCN(C(=O)Nc2cc(Br)cnc2-n2cccn2)C[C@H]1C ZINC000682052650 566141863 /nfs/dbraw/zinc/14/18/63/566141863.db2.gz RLTTUTQFAFMVPH-GFCCVEGCSA-N 1 0 393.289 2.588 20 0 GFADRO CCC1([NH+](C)C)CCN(C(=O)c2cc(Br)cnc2N(C)C)CC1 ZINC000634122308 566144369 /nfs/dbraw/zinc/14/43/69/566144369.db2.gz WEFSZVMBNFUYSQ-UHFFFAOYSA-N 1 0 383.334 2.857 20 0 GFADRO CC1(C)CN(Cc2nc(-c3cccc(Br)c3)c[nH]2)CC[N@@H+]1CCO ZINC000682166037 566144905 /nfs/dbraw/zinc/14/49/05/566144905.db2.gz GFXWUMMJTSUPQF-UHFFFAOYSA-N 1 0 393.329 2.728 20 0 GFADRO OCC1([NH2+]C[C@@H](O)COc2cc(F)cc(Br)c2)CCCCC1 ZINC000682219051 566148432 /nfs/dbraw/zinc/14/84/32/566148432.db2.gz NQMJNUNAOKZLQN-CQSZACIVSA-N 1 0 376.266 2.613 20 0 GFADRO CN(CCCC[NH+](C)C)C(=O)C(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000682279973 566149135 /nfs/dbraw/zinc/14/91/35/566149135.db2.gz OZOXTPCSWFTXEI-UHFFFAOYSA-N 1 0 377.819 2.680 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)C(=O)N1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000682352104 566149999 /nfs/dbraw/zinc/14/99/99/566149999.db2.gz GYAFPHSPURLCGK-CQSZACIVSA-N 1 0 382.302 2.685 20 0 GFADRO Cc1c(Br)cccc1NC(=O)C(=O)N1CCC[C@H]([NH2+]C(C)C)C1 ZINC000682351993 566150253 /nfs/dbraw/zinc/15/02/53/566150253.db2.gz HCZKTJKWERGZOZ-ZDUSSCGKSA-N 1 0 382.302 2.685 20 0 GFADRO CCC1([NH+](C)C)CCN(c2nnc(-c3cc(Br)c[nH]3)n2C)CC1 ZINC000634334487 566153499 /nfs/dbraw/zinc/15/34/99/566153499.db2.gz ULUKXFAPTJDSRI-UHFFFAOYSA-N 1 0 381.322 2.883 20 0 GFADRO COCC[NH+]1CCC(NC(=O)Cc2ccc(Br)c(Cl)c2)CC1 ZINC000682477714 566155533 /nfs/dbraw/zinc/15/55/33/566155533.db2.gz ZWRRJHLGFLBBGP-UHFFFAOYSA-N 1 0 389.721 2.872 20 0 GFADRO CS(=O)(=O)C1(C[NH2+]C[C@H](O)COCc2ccccc2Cl)CCCCC1 ZINC000656711914 566156774 /nfs/dbraw/zinc/15/67/74/566156774.db2.gz CDWDBWXGNDRRDH-INIZCTEOSA-N 1 0 389.945 2.555 20 0 GFADRO COc1ccc(CCC(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)c(Br)c1 ZINC000612305423 566157704 /nfs/dbraw/zinc/15/77/04/566157704.db2.gz XEGMQSHHQCVPLC-YVEFUNNKSA-N 1 0 381.314 2.989 20 0 GFADRO CC[C@H](CO)[NH+]1CCN(C(=O)Cc2ccc(Br)c(Cl)c2)CC1 ZINC000682515824 566160278 /nfs/dbraw/zinc/16/02/78/566160278.db2.gz YNWZQBZBCLUAKM-CYBMUJFWSA-N 1 0 389.721 2.560 20 0 GFADRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cc(Br)cc3c2OCCO3)C1 ZINC000612649379 566168685 /nfs/dbraw/zinc/16/86/85/566168685.db2.gz LGGYRKBUJHNCNC-IUODEOHRSA-N 1 0 395.297 2.777 20 0 GFADRO Cc1c(F)c(Br)ccc1C(=O)NCCCC[N@@H+]1CCC[C@@H]1CO ZINC000612659612 566169354 /nfs/dbraw/zinc/16/93/54/566169354.db2.gz XLUNJWHOJCTBKS-CYBMUJFWSA-N 1 0 387.293 2.863 20 0 GFADRO C[C@](O)(C[C@@H](O)C[NH2+][C@H](CO)c1ccc(Cl)cc1C(F)(F)F)C1CC1 ZINC000634721162 566173073 /nfs/dbraw/zinc/17/30/73/566173073.db2.gz UPXNKIUJMLNSTL-WQVCFCJDSA-N 1 0 381.822 2.894 20 0 GFADRO [O-]c1c(Br)cc(CN2C[C@@H]3COC[C@@H]3C2)cc1Br ZINC000634745948 566174650 /nfs/dbraw/zinc/17/46/50/566174650.db2.gz YZKDFQZAIAWIKD-AOOOYVTPSA-N 1 0 377.076 2.995 20 0 GFADRO C[C@@]([NH3+])(C(=O)N1CCO[C@H](C(F)F)CC1)c1ccc(Br)cc1 ZINC000634753084 566175054 /nfs/dbraw/zinc/17/50/54/566175054.db2.gz YAELAKJNJHOUGK-WFASDCNBSA-N 1 0 377.229 2.506 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+]C[C@@H](O)C(F)(F)F ZINC000682951107 566179339 /nfs/dbraw/zinc/17/93/39/566179339.db2.gz FGENCCAXRMNRRD-CYBMUJFWSA-N 1 0 378.192 2.956 20 0 GFADRO COC1CC[NH+](CCNC(=O)Nc2c(F)cc(F)cc2Br)CC1 ZINC000683081286 566183157 /nfs/dbraw/zinc/18/31/57/566183157.db2.gz DDSIFFGDUFBEPF-UHFFFAOYSA-N 1 0 392.244 2.960 20 0 GFADRO CN(CCCC[NH+](C)C)S(=O)(=O)Cc1cc(F)ccc1Br ZINC000656927275 566185339 /nfs/dbraw/zinc/18/53/39/566185339.db2.gz BYGPBGXUSXRWFC-UHFFFAOYSA-N 1 0 381.311 2.692 20 0 GFADRO COc1cc(Br)c(C[NH2+][C@H]2CCCS(=O)(=O)CC2)cc1OC ZINC000634960430 566185605 /nfs/dbraw/zinc/18/56/05/566185605.db2.gz ROWHPZAMEKTKQH-LBPRGKRZSA-N 1 0 392.315 2.523 20 0 GFADRO C[NH+](C)CCN(C1CCCCC1)S(=O)(=O)c1ncccc1Br ZINC000656927682 566185847 /nfs/dbraw/zinc/18/58/47/566185847.db2.gz DTFRYEIAXRCQOQ-UHFFFAOYSA-N 1 0 390.347 2.729 20 0 GFADRO O=S1(=O)CCC[C@H]([NH2+][C@@H]2CCN(c3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000634962166 566186092 /nfs/dbraw/zinc/18/60/92/566186092.db2.gz MSWSFOKMFZXWLH-LSDHHAIUSA-N 1 0 376.444 2.841 20 0 GFADRO OCC[NH2+]C1CCN(Cc2ccc(OC(F)F)c(Br)c2)CC1 ZINC000635001142 566188311 /nfs/dbraw/zinc/18/83/11/566188311.db2.gz IANANJSWRBRZGQ-UHFFFAOYSA-N 1 0 379.245 2.597 20 0 GFADRO COc1cccc([C@H](CNC(=O)C(=O)Nc2cscc2Cl)[NH+](C)C)c1 ZINC000635027698 566189900 /nfs/dbraw/zinc/18/99/00/566189900.db2.gz XRUPJPCIKPVWSL-HNNXBMFYSA-N 1 0 381.885 2.768 20 0 GFADRO C[C@H]1COCC[C@@H]1[NH2+]Cc1nnnn1-c1ccc(Cl)cc1C(F)(F)F ZINC000683372426 566196412 /nfs/dbraw/zinc/19/64/12/566196412.db2.gz GRKBXTQGHFPWJM-CABZTGNLSA-N 1 0 375.782 2.849 20 0 GFADRO Brc1ccc2nc(C[NH2+][C@H]3CCCC[C@H]3N3CCOCC3)cn2c1 ZINC000683523121 566202935 /nfs/dbraw/zinc/20/29/35/566202935.db2.gz BRCWXLLROQVRIJ-DLBZAZTESA-N 1 0 393.329 2.830 20 0 GFADRO C[N@@H+]1CC[C@@H](CC(=O)N2CCN(C(=O)c3cccc(Cl)c3Cl)CC2)C1 ZINC000635348234 566207637 /nfs/dbraw/zinc/20/76/37/566207637.db2.gz UZEPJMZVUODFIL-ZDUSSCGKSA-N 1 0 384.307 2.620 20 0 GFADRO C[C@H]1COCCN1C1CCN(S(=O)(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000657028196 566208248 /nfs/dbraw/zinc/20/82/48/566208248.db2.gz SXHCUBPJBXAEHP-LBPRGKRZSA-N 1 0 393.336 2.867 20 0 GFADRO CN1CCC2(CC[NH+](Cc3cn4cc(Br)ccc4n3)CC2)C1=O ZINC000683675833 566209204 /nfs/dbraw/zinc/20/92/04/566209204.db2.gz MQFLGNRPKNNAME-UHFFFAOYSA-N 1 0 377.286 2.541 20 0 GFADRO CN1CCC2(CC[NH+](C[C@H](O)COc3ccc(Cl)c(Cl)c3)CC2)C1=O ZINC000683675876 566209346 /nfs/dbraw/zinc/20/93/46/566209346.db2.gz QPBFAMMCGNPPLS-ZDUSSCGKSA-N 1 0 387.307 2.677 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@H](CNS(=O)(=O)c2ccc(Br)s2)C1 ZINC000657034357 566209375 /nfs/dbraw/zinc/20/93/75/566209375.db2.gz PABBJXJUPIMXDX-SNVBAGLBSA-N 1 0 381.361 2.909 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@H](CNS(=O)(=O)c2cccc(Br)c2F)C1 ZINC000657032600 566209498 /nfs/dbraw/zinc/20/94/98/566209498.db2.gz CDRWDOZWGDDYHZ-LLVKDONJSA-N 1 0 393.322 2.987 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@@H](CNS(=O)(=O)c2sccc2Br)C1 ZINC000657033045 566209565 /nfs/dbraw/zinc/20/95/65/566209565.db2.gz GNIFTFQLCSFMKN-JTQLQIEISA-N 1 0 381.361 2.909 20 0 GFADRO C[C@@H](NC(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)c1ccc(Br)cc1 ZINC000683708652 566210091 /nfs/dbraw/zinc/21/00/91/566210091.db2.gz DSBVARCVVVSPRP-COXVUDFISA-N 1 0 396.329 2.751 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@@H](NS(=O)(=O)c2ccc(OCC(F)(F)F)cc2)C1 ZINC000657063416 566216061 /nfs/dbraw/zinc/21/60/61/566216061.db2.gz XIUKUWROCOJSFP-GFCCVEGCSA-N 1 0 380.432 2.779 20 0 GFADRO Cc1c(Br)ccc(C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)c1F ZINC000684055018 566224080 /nfs/dbraw/zinc/22/40/80/566224080.db2.gz VYAVJGFLKISPSJ-CYBMUJFWSA-N 1 0 385.277 2.880 20 0 GFADRO Cc1nc(CS(=O)(=O)NC2CC[NH+](CCc3ccccc3)CC2)cs1 ZINC000684096105 566226154 /nfs/dbraw/zinc/22/61/54/566226154.db2.gz MSTYSEHARNGZPF-UHFFFAOYSA-N 1 0 379.551 2.578 20 0 GFADRO CC[NH+](CC)Cc1ccc(C(=O)NCc2ccc(S(=O)(=O)CC)s2)o1 ZINC000684228924 566230746 /nfs/dbraw/zinc/23/07/46/566230746.db2.gz ZFOKGVJVXUZSMQ-UHFFFAOYSA-N 1 0 384.523 2.907 20 0 GFADRO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccccc1-c1ccccc1-c1nn[nH]n1 ZINC000736293129 598827138 /nfs/dbraw/zinc/82/71/38/598827138.db2.gz NJVGQUZAYDRYLV-HOTGVXAUSA-N 1 0 388.475 2.842 20 0 GFADRO C[C@@]1(c2ccccc2)CCC[N@H+](C[C@H](O)COc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000736227405 598832820 /nfs/dbraw/zinc/83/28/20/598832820.db2.gz DBYMBUUOXFODMV-SIKLNZKXSA-N 1 0 393.491 2.660 20 0 GFADRO Cc1cc([C@H]2CCC[N@@H+]2Cn2c(C)nnc2-c2cccc(-c3nn[nH]n3)c2)on1 ZINC000737265704 598851659 /nfs/dbraw/zinc/85/16/59/598851659.db2.gz UMLTXPWTWVZJRJ-MRXNPFEDSA-N 1 0 391.439 2.525 20 0 GFADRO CCOC[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)C1 ZINC000736609309 598872998 /nfs/dbraw/zinc/87/29/98/598872998.db2.gz PQTPQTCEENRGEZ-QWHCGFSZSA-N 1 0 392.891 2.596 20 0 GFADRO OCC[N@H+](CCOc1ccccc1-c1nn[nH]n1)[C@H]1CCCc2ccccc21 ZINC000738394889 598898631 /nfs/dbraw/zinc/89/86/31/598898631.db2.gz YTLHIEYVLWPZJK-IBGZPJMESA-N 1 0 379.464 2.617 20 0 GFADRO Fc1cccc(N2CC[NH+](Cc3ccc4ccccc4n3)CC2)c1-c1nn[nH]n1 ZINC000737662329 598899510 /nfs/dbraw/zinc/89/95/10/598899510.db2.gz URIDFHJLQHJISW-UHFFFAOYSA-N 1 0 389.438 2.876 20 0 GFADRO C[N@H+](CCC(=O)Nc1ccc(-c2nn[nH]n2)cc1)[C@@H]1CCc2ccccc2C1 ZINC000736793264 598916673 /nfs/dbraw/zinc/91/66/73/598916673.db2.gz VOIKXWPHQCBWQH-LJQANCHMSA-N 1 0 376.464 2.685 20 0 GFADRO C[N@H+](CC(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)[C@H]1CCc2ccccc2C1 ZINC000736787049 598916927 /nfs/dbraw/zinc/91/69/27/598916927.db2.gz DZJQTKABRHNGLC-INIZCTEOSA-N 1 0 396.882 2.948 20 0 GFADRO C[C@@H]([NH2+][C@H]1CCN(c2ccc(-c3nn[nH]n3)cc2)C1=O)c1cccc(Cl)c1 ZINC000736134870 598959570 /nfs/dbraw/zinc/95/95/70/598959570.db2.gz VZQXMRIWSFOLIE-PXAZEXFGSA-N 1 0 382.855 2.976 20 0 GFADRO COCC[N@H+](CCOc1ccc(-c2nn[nH]n2)cc1OC)[C@@H](C)c1ccccc1 ZINC000736994490 598984081 /nfs/dbraw/zinc/98/40/81/598984081.db2.gz IRVCWUXUXQQDGC-INIZCTEOSA-N 1 0 397.479 2.964 20 0 GFADRO COc1ccccc1[C@H]1CC[N@H+](CCOc2ccc(-c3nn[nH]n3)cc2OC)C1 ZINC000737032775 598990738 /nfs/dbraw/zinc/99/07/38/598990738.db2.gz NLJZBKBCYGBSIC-INIZCTEOSA-N 1 0 395.463 2.752 20 0 GFADRO CC1CCC([NH+]2CCN(C(=O)CCc3ccc(-c4nn[nH]n4)cc3)CC2)CC1 ZINC000736239671 599016791 /nfs/dbraw/zinc/01/67/91/599016791.db2.gz HRNHTQBEKBPJBH-UHFFFAOYSA-N 1 0 382.512 2.522 20 0 GFADRO FC(F)(F)c1ccc(-c2nn[nH]n2)c(N2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000737631064 599037866 /nfs/dbraw/zinc/03/78/66/599037866.db2.gz CYXNFSWTLVLUGU-UHFFFAOYSA-N 1 0 389.385 2.603 20 0 GFADRO NC(=O)[C@H](c1ccc(-c2nn[nH]n2)cc1)[NH+]1CCC(CCc2ccccc2)CC1 ZINC000737745393 599069194 /nfs/dbraw/zinc/06/91/94/599069194.db2.gz YBEXEXUFWSQWNY-FQEVSTJZSA-N 1 0 390.491 2.738 20 0 GFADRO Cc1ccc(C[C@@H]2CCC[N@@H+]([C@H](C(N)=O)c3ccc(-c4nn[nH]n4)cc3)C2)cc1 ZINC000737334566 599071092 /nfs/dbraw/zinc/07/10/92/599071092.db2.gz IYGBOHSVSVRUAX-PXNSSMCTSA-N 1 0 390.491 2.656 20 0 GFADRO CCc1ccc(CC(=O)N(CC[NH+](C)C)Cc2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000736682756 599071382 /nfs/dbraw/zinc/07/13/82/599071382.db2.gz LYGJBVBZLVFOGL-UHFFFAOYSA-N 1 0 392.507 2.562 20 0 GFADRO C[N@H+](Cc1ccccc1)[C@H]1CCN(c2c3ccccc3nnc2-c2nn[nH]n2)C1 ZINC000821614594 599080912 /nfs/dbraw/zinc/08/09/12/599080912.db2.gz MMBCTSDOLNVKBS-INIZCTEOSA-N 1 0 386.463 2.521 20 0 GFADRO NC(=O)[C@@H]([NH2+]CC1(c2ccc(F)cc2)CCCC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000737731436 599092102 /nfs/dbraw/zinc/09/21/02/599092102.db2.gz SBCNELAHNLULTA-SFHVURJKSA-N 1 0 394.454 2.634 20 0 GFADRO Cc1cc(C)c(-c2nn[nH]n2)c(N2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)n1 ZINC000822191748 599111944 /nfs/dbraw/zinc/11/19/44/599111944.db2.gz PNDWQNLLIREEDD-KRWDZBQOSA-N 1 0 377.496 2.979 20 0 GFADRO c1cc2c(ccnc2N2CCC[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)o1 ZINC000738420823 599122367 /nfs/dbraw/zinc/12/23/67/599122367.db2.gz MIOLVRBRPLHBPD-UHFFFAOYSA-N 1 0 375.436 2.720 20 0 GFADRO Cc1ccccc1[C@H](O)C[NH+]1CCC(Oc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000737421428 599133742 /nfs/dbraw/zinc/13/37/42/599133742.db2.gz NAUXGCDRKCAVNX-HXUWFJFHSA-N 1 0 379.464 2.752 20 0 GFADRO C[C@@H]1C[N@H+](C[C@H](O)COc2ccc(-c3nn[nH]n3)cc2)CC[C@@H]1c1ccccc1 ZINC000736285563 599144198 /nfs/dbraw/zinc/14/41/98/599144198.db2.gz KSPKYKFPQUKEPI-PBEJRMEISA-N 1 0 393.491 2.732 20 0 GFADRO Cc1ccc(-c2nn[nH]n2)cc1NC(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000737294418 599146040 /nfs/dbraw/zinc/14/60/40/599146040.db2.gz NJHNFOGZLUQSCG-UHFFFAOYSA-N 1 0 383.431 2.698 20 0 GFADRO COc1ccc(C[NH2+]Cc2cnc(C)n2-c2ccccc2)cc1-c1nn[nH]n1 ZINC000821818636 599155615 /nfs/dbraw/zinc/15/56/15/599155615.db2.gz VVRHDWKCNNOPRN-UHFFFAOYSA-N 1 0 375.436 2.659 20 0 GFADRO C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=S)Nc2ccccc2-c2nn[nH]n2)C1 ZINC000821614683 599228560 /nfs/dbraw/zinc/22/85/60/599228560.db2.gz QQILLCCXKMTRHX-INIZCTEOSA-N 1 0 393.520 2.770 20 0 GFADRO C[NH+](C)CCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)/C=C\C1CCCCC1 ZINC000736766546 599249139 /nfs/dbraw/zinc/24/91/39/599249139.db2.gz AWCRPKBUWBEXMU-RAXLEYEMSA-N 1 0 382.512 2.893 20 0 GFADRO Cc1c(NC(=O)N[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)cccc1-c1nn[nH]n1 ZINC000822088965 607288237 /nfs/dbraw/zinc/28/82/37/607288237.db2.gz BRQBHHJHFYKHDT-RHSMWYFYSA-N 1 0 391.479 2.960 20 0 GFADRO Cc1c(NC(=O)N[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)cccc1-c1nn[nH]n1 ZINC000822088970 607288263 /nfs/dbraw/zinc/28/82/63/607288263.db2.gz BRQBHHJHFYKHDT-YOEHRIQHSA-N 1 0 391.479 2.960 20 0 GFADRO Cc1c(NC(=O)N2CC[NH+](CC3CCCCC3)CC2)cccc1-c1nn[nH]n1 ZINC000822084704 607290581 /nfs/dbraw/zinc/29/05/81/607290581.db2.gz OCWRSVMAIAIANP-UHFFFAOYSA-N 1 0 383.500 2.905 20 0 GFADRO C[C@@H]1C[N@H+](C(C)(C)CNc2cc(-c3nn[nH]n3)nc3ccccc32)C[C@H](C)O1 ZINC000736293271 599264764 /nfs/dbraw/zinc/26/47/64/599264764.db2.gz SODONJIEUPEQJJ-OKILXGFUSA-N 1 0 381.484 2.715 20 0 GFADRO CC(C)c1cnc(CN(C)[C@H]2CC[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C2)o1 ZINC000735933681 599291546 /nfs/dbraw/zinc/29/15/46/599291546.db2.gz ZZXGKCOGAWBPSQ-KRWDZBQOSA-N 1 0 381.484 2.684 20 0 GFADRO CC[NH+]1CCN(Cc2ccc(CNc3cccc(F)c3-c3nn[nH]n3)cc2)CC1 ZINC000736570035 598238568 /nfs/dbraw/zinc/23/85/68/598238568.db2.gz VFVVVQIDNWXKFE-UHFFFAOYSA-N 1 0 395.486 2.755 20 0 GFADRO C[C@@H]1CC[N@H+](CC(=O)Nc2cccc(OCc3cccc(-c4nn[nH]n4)c3)c2)C1 ZINC000736275146 598254673 /nfs/dbraw/zinc/25/46/73/598254673.db2.gz HMWVNXVJABPEAO-OAHLLOKOSA-N 1 0 392.463 2.726 20 0 GFADRO COc1cc(-c2nn[nH]n2)ccc1Oc1ccc(NC(=O)[C@@H]2CC[N@H+](C)C2)cc1 ZINC000737032404 598258966 /nfs/dbraw/zinc/25/89/66/598258966.db2.gz LYFBDJMUJHJLBP-CQSZACIVSA-N 1 0 394.435 2.558 20 0 GFADRO C[C@@H]1C[N@@H+](CCCNc2ccc(-c3nn[nH]n3)c(C(F)(F)F)c2)C[C@H](C)O1 ZINC000736284896 598274563 /nfs/dbraw/zinc/27/45/63/598274563.db2.gz HLWMKLUVGUQOLL-TXEJJXNPSA-N 1 0 384.406 2.797 20 0 GFADRO C[C@H]([NH2+]Cc1ccc(-c2nn[nH]n2)cc1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000736135805 598274827 /nfs/dbraw/zinc/27/48/27/598274827.db2.gz PXNOKUJNJPGFEH-WMLDXEAASA-N 1 0 386.500 2.992 20 0 GFADRO CCC[NH+]1CCC(CNC(=O)Nc2cc(-c3nn[nH]n3)cn2C(C)(C)C)CC1 ZINC000736481092 598281322 /nfs/dbraw/zinc/28/13/22/598281322.db2.gz SZBGZRGYKZCZDW-UHFFFAOYSA-N 1 0 388.520 2.667 20 0 GFADRO Cc1cccc(C)c1OCC[NH+]1CCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000737387973 598293280 /nfs/dbraw/zinc/29/32/80/598293280.db2.gz CMQHCXWZMWZXGE-UHFFFAOYSA-N 1 0 378.480 2.685 20 0 GFADRO C[C@H](C[NH+]1CCCCC1)NC(=S)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000736003098 598319911 /nfs/dbraw/zinc/31/99/11/598319911.db2.gz WHPCXGZCDMKSHO-LLVKDONJSA-N 1 0 379.921 2.681 20 0 GFADRO C[C@H]1C[N@H+](Cc2cccc(-c3nn[nH]n3)c2)CCN1c1nc2ccccc2o1 ZINC000736291736 598364610 /nfs/dbraw/zinc/36/46/10/598364610.db2.gz YQMSEJUBRBYADP-AWEZNQCLSA-N 1 0 375.436 2.719 20 0 GFADRO Cc1csc(N2CC[N@@H+](Cc3cn4ccccc4c3-c3nn[nH]n3)C[C@@H]2C)n1 ZINC000737453540 598365054 /nfs/dbraw/zinc/36/50/54/598365054.db2.gz XAXOUFZGPQRXAS-AWEZNQCLSA-N 1 0 394.508 2.595 20 0 GFADRO Cc1cc(C)n([C@@H]2CCC[N@H+](Cc3cn4ccccc4c3-c3nn[nH]n3)C2)n1 ZINC000737258184 598368125 /nfs/dbraw/zinc/36/81/25/598368125.db2.gz YXYSPZQPJVQHEL-QGZVFWFLSA-N 1 0 376.468 2.770 20 0 GFADRO c1ccc(C(c2ccccc2)[NH+]2CCN(c3cnc(-c4nn[nH]n4)cn3)CC2)cc1 ZINC000738429132 598384860 /nfs/dbraw/zinc/38/48/60/598384860.db2.gz UHZZMFZFUMRICH-UHFFFAOYSA-N 1 0 398.474 2.568 20 0 GFADRO O=C(C[N@@H+]1CCCC[C@H]1Cc1ccccc1)Nc1sccc1-c1nn[nH]n1 ZINC000737879174 598422846 /nfs/dbraw/zinc/42/28/46/598422846.db2.gz SYSCFUACTPVINF-HNNXBMFYSA-N 1 0 382.493 2.964 20 0 GFADRO COc1ccc(C)cc1[C@H](C)[NH2+][C@H](C)C(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000737076494 598431869 /nfs/dbraw/zinc/43/18/69/598431869.db2.gz RJDBWLPZBYGLSG-UONOGXRCSA-N 1 0 380.452 2.862 20 0 GFADRO O=C(NCc1ccccc1C[NH+]1CCCCC1)c1cccc(-c2nn[nH]n2)c1 ZINC000738116663 598460719 /nfs/dbraw/zinc/46/07/19/598460719.db2.gz KXPVFFVDKHHRJY-UHFFFAOYSA-N 1 0 376.464 2.783 20 0 GFADRO C[C@@H]1CO[C@H](c2ccccc2)C[N@@H+]1CCC(=O)Nc1ccccc1-c1nn[nH]n1 ZINC000736291553 598460707 /nfs/dbraw/zinc/46/07/07/598460707.db2.gz FPHNCZNNGFYXQO-BEFAXECRSA-N 1 0 392.463 2.657 20 0 GFADRO Clc1ccc(C[NH2+]C2CCN(c3ccc(-c4nn[nH]n4)cn3)CC2)s1 ZINC000737574629 598467335 /nfs/dbraw/zinc/46/73/35/598467335.db2.gz IKIBJOMFFMUOMP-UHFFFAOYSA-N 1 0 375.889 2.735 20 0 GFADRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000736558637 598467693 /nfs/dbraw/zinc/46/76/93/598467693.db2.gz OMRQHFGGBREBAX-UHFFFAOYSA-N 1 0 379.468 2.982 20 0 GFADRO C[C@H](CNC(=O)N(Cc1ccc(-c2nn[nH]n2)cc1)C1CC1)[N@@H+]1CCC[C@H](C)C1 ZINC000736269164 598477435 /nfs/dbraw/zinc/47/74/35/598477435.db2.gz ZJNMGXRTNJNANQ-JKSUJKDBSA-N 1 0 397.527 2.661 20 0 GFADRO O=C(Cc1ccc(-c2nn[nH]n2)cc1)N[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000737964826 598496396 /nfs/dbraw/zinc/49/63/96/598496396.db2.gz ZGZWBRAILGPVTB-FQEVSTJZSA-N 1 0 390.491 2.753 20 0 GFADRO CCC(CC)[C@H]([NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1cccs1 ZINC000736337290 598527478 /nfs/dbraw/zinc/52/74/78/598527478.db2.gz JJFOKNAHTFMSCU-WBMJQRKESA-N 1 0 386.529 2.934 20 0 GFADRO c1nn2c(c1-c1nn[nH]n1)NC[C@H](C[NH2+][C@@H](c1ccccc1)C1CCCC1)C2 ZINC000738426673 598528786 /nfs/dbraw/zinc/52/87/86/598528786.db2.gz SZLXXFYMEUBEIH-KSSFIOAISA-N 1 0 378.484 2.626 20 0 GFADRO CC(C)Sc1ccc([C@@H](C)[NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)cc1 ZINC000735921337 598529216 /nfs/dbraw/zinc/52/92/16/598529216.db2.gz PHSZVULRUAIGPP-ZIAGYGMSSA-N 1 0 398.540 2.956 20 0 GFADRO Clc1ccc([C@H]([NH2+]C[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)C2CCC2)cc1 ZINC000737571226 598530654 /nfs/dbraw/zinc/53/06/54/598530654.db2.gz XGIAKUKEYIKLIH-YVEFUNNKSA-N 1 0 398.902 2.889 20 0 GFADRO CC(C)[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)C[C@H](O)CN(C)Cc1ccccc1 ZINC000735875166 598532869 /nfs/dbraw/zinc/53/28/69/598532869.db2.gz ZYPWZOKBRIXRHV-OAQYLSRUSA-N 1 0 394.523 2.570 20 0 GFADRO CN1CCC[C@H]1C[NH2+]Cc1cccc(OCc2ccccc2-c2nn[nH]n2)c1 ZINC000736860088 598562096 /nfs/dbraw/zinc/56/20/96/598562096.db2.gz LKUYIBHMBJIRTD-SFHVURJKSA-N 1 0 378.480 2.630 20 0 GFADRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)Nc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC000736205678 598625479 /nfs/dbraw/zinc/62/54/79/598625479.db2.gz XNZNPUIFZQNHRC-CZUORRHYSA-N 1 0 395.442 2.963 20 0 GFADRO C[N@H+](CCCNC(=O)Nc1ccc(F)c(-c2nn[nH]n2)c1)Cc1ccccc1 ZINC000736800525 598632234 /nfs/dbraw/zinc/63/22/34/598632234.db2.gz LZDHHKOEXQOZME-UHFFFAOYSA-N 1 0 383.431 2.649 20 0 GFADRO CC[NH+](CC)CCN(CC(C)C)C(=O)Nc1ccc(F)c(-c2nn[nH]n2)c1 ZINC000736529945 598632449 /nfs/dbraw/zinc/63/24/49/598632449.db2.gz CFYOXWVFBIJWQF-UHFFFAOYSA-N 1 0 377.468 2.838 20 0 GFADRO C[NH+](C)CCN(C(=O)CSc1ccc(-c2nn[nH]n2)cc1)c1ccccc1 ZINC000736766579 598656642 /nfs/dbraw/zinc/65/66/42/598656642.db2.gz COJKZEZDINPXDA-UHFFFAOYSA-N 1 0 382.493 2.554 20 0 GFADRO C[C@@H]1CCC[C@@](CNC(=O)CSc2ccc(-c3nn[nH]n3)cc2)([NH+](C)C)C1 ZINC000736247529 598665930 /nfs/dbraw/zinc/66/59/30/598665930.db2.gz FMTQLWGUCINODA-AUUYWEPGSA-N 1 0 388.541 2.586 20 0 GFADRO C[NH+](C)CCCCNC(=O)c1cccc(Oc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000736758975 598701496 /nfs/dbraw/zinc/70/14/96/598701496.db2.gz LQCJQWFKIRUNSK-UHFFFAOYSA-N 1 0 380.452 2.731 20 0 GFADRO O=C(C[N@H+]1CC[C@@H](c2ccc(Cl)cc2)C1)NCc1cccc(-c2nn[nH]n2)c1 ZINC000737878401 598708449 /nfs/dbraw/zinc/70/84/49/598708449.db2.gz ZIJZXJWWWKPCTM-QGZVFWFLSA-N 1 0 396.882 2.626 20 0 GFADRO Fc1cccc(F)c1CN1CCC[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC000737662336 598713024 /nfs/dbraw/zinc/71/30/24/598713024.db2.gz UVWBXQYWLLMLDH-MRXNPFEDSA-N 1 0 384.434 2.899 20 0 GFADRO OC1(C[NH2+]Cc2cccc(OCc3cccc(-c4nn[nH]n4)c3)c2)CCCC1 ZINC000738388013 598713281 /nfs/dbraw/zinc/71/32/81/598713281.db2.gz RHQRAYSBRLTGMU-UHFFFAOYSA-N 1 0 379.464 2.840 20 0 GFADRO CC(C)Oc1ccc(-c2nn[nH]n2)cc1NC(=O)NCCC1CC[NH+](C)CC1 ZINC000735904800 598723936 /nfs/dbraw/zinc/72/39/36/598723936.db2.gz BPFZZBWRLCIASS-UHFFFAOYSA-N 1 0 387.488 2.507 20 0 GFADRO Fc1cc(F)c2ncc(-c3nn[nH]n3)c(N3CC[NH+](C4CCCC4)CC3)c2c1 ZINC000737644629 598770800 /nfs/dbraw/zinc/77/08/00/598770800.db2.gz JENJWHBLJKZJQQ-UHFFFAOYSA-N 1 0 385.422 2.758 20 0 GFADRO FC(F)(F)c1cc([C@@H]2CCC[N@H+](Cc3ccccc3-c3nn[nH]n3)C2)[nH]n1 ZINC000737631547 599315509 /nfs/dbraw/zinc/31/55/09/599315509.db2.gz GLHSEQROOUVHPJ-GFCCVEGCSA-N 1 0 377.374 2.988 20 0 GFADRO Cc1ccc([C@@H](C[NH2+][C@H](C)c2ccc(-c3nn[nH]n3)cc2)N2CCOCC2)s1 ZINC000737320831 599317649 /nfs/dbraw/zinc/31/76/49/599317649.db2.gz WGZAIEHQFBRUIO-CRAIPNDOSA-N 1 0 398.536 2.961 20 0 GFADRO COc1cc(F)ccc1N1CC[NH+]([C@H](C)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000737054741 599322364 /nfs/dbraw/zinc/32/23/64/599322364.db2.gz UZOYBWNJOUAJJY-CQSZACIVSA-N 1 0 382.443 2.898 20 0 GFADRO Cc1cccnc1[C@H]([NH2+]CCC(=O)Nc1ccc(-c2nn[nH]n2)cc1)C(C)C ZINC000737435425 599355746 /nfs/dbraw/zinc/35/57/46/599355746.db2.gz NPOYEGGLVXEAHH-GOSISDBHSA-N 1 0 379.468 2.886 20 0 GFADRO COC1CCN(C2(C[NH2+][C@H](C)c3ccc(-c4nn[nH]n4)cc3)CCCC2)CC1 ZINC000821679823 599376398 /nfs/dbraw/zinc/37/63/98/599376398.db2.gz NTUNIJJDTBVOOC-MRXNPFEDSA-N 1 0 384.528 2.941 20 0 GFADRO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)C(=O)Nc2ccccc2-c2nn[nH]n2)C12CCCC2 ZINC000821360834 599387561 /nfs/dbraw/zinc/38/75/61/599387561.db2.gz SPXFGFKPYQNYJB-RRQGHBQHSA-N 1 0 384.484 2.521 20 0 GFADRO C[C@H]([NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1)C(=O)N1CCc2sccc2C1 ZINC000820410736 599388332 /nfs/dbraw/zinc/38/83/32/599388332.db2.gz GBKCQSFBXCWAMT-STQMWFEESA-N 1 0 382.493 2.552 20 0 GFADRO C[C@@H]([NH2+][C@@H](C)C(=O)N1c2ccccc2C[C@@H]1C)c1cccc(-c2nn[nH]n2)c1 ZINC000820414532 599388677 /nfs/dbraw/zinc/38/86/77/599388677.db2.gz YWTYGKKSNPKBIK-ZNMIVQPWSA-N 1 0 376.464 2.884 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCN(c2ccc(Cl)cc2)C1=O)c1cccc(-c2nn[nH]n2)c1 ZINC000820420760 599390203 /nfs/dbraw/zinc/39/02/03/599390203.db2.gz WOHSJKNZISFTFC-YVEFUNNKSA-N 1 0 382.855 2.976 20 0 GFADRO C[C@@H]([NH2+][C@H](C)c1cccc(-c2nn[nH]n2)c1)C(=O)N(C)Cc1cccc(F)c1 ZINC000820414516 599390261 /nfs/dbraw/zinc/39/02/61/599390261.db2.gz YTMXBQHLRQVFPH-ZIAGYGMSSA-N 1 0 382.443 2.704 20 0 GFADRO COc1ccc(C[NH2+]Cc2ccc(OC[C@@H]3CCCO3)cc2)cc1-c1nn[nH]n1 ZINC000821818684 599404221 /nfs/dbraw/zinc/40/42/21/599404221.db2.gz XZGDZIWDXLSIQN-SFHVURJKSA-N 1 0 395.463 2.723 20 0 GFADRO Clc1ccc(-c2nn[nH]n2)c(NCC[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000737570089 599405024 /nfs/dbraw/zinc/40/50/24/599405024.db2.gz ARDWEONHLFEEFD-UHFFFAOYSA-N 1 0 383.887 2.754 20 0 GFADRO COc1ccc(C[NH2+]C2CCN(Cc3ccc(F)cc3)CC2)cc1-c1nn[nH]n1 ZINC000821810374 599409840 /nfs/dbraw/zinc/40/98/40/599409840.db2.gz ZTGJLVFFHAEAOO-UHFFFAOYSA-N 1 0 396.470 2.769 20 0 GFADRO COc1ccc(C[NH2+]Cc2cccc(OCC(F)F)c2)cc1-c1nn[nH]n1 ZINC000821818325 599431742 /nfs/dbraw/zinc/43/17/42/599431742.db2.gz PLLQBMGSTRDPGS-UHFFFAOYSA-N 1 0 375.379 2.809 20 0 GFADRO C[C@@H](NC(=O)NCc1ccc(F)c(C[NH+](C)C)c1)c1cccc(-c2nn[nH]n2)c1 ZINC000820375006 599442372 /nfs/dbraw/zinc/44/23/72/599442372.db2.gz VUXZNVKZALZIKD-CYBMUJFWSA-N 1 0 397.458 2.628 20 0 GFADRO CSCC[C@@H](C)[N@H+](C)CCC(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000737175406 599448735 /nfs/dbraw/zinc/44/87/35/599448735.db2.gz CUWZGNDYFKMRGR-LLVKDONJSA-N 1 0 382.921 2.922 20 0 GFADRO CC(C)[C@@H](CCO)[NH2+]Cc1cccc(OCc2cccc(-c3nn[nH]n3)c2)c1 ZINC000820021268 599451096 /nfs/dbraw/zinc/45/10/96/599451096.db2.gz RQRSXGXZKQXOEY-HXUWFJFHSA-N 1 0 381.480 2.942 20 0 GFADRO CC(C)(C)OC(=O)N1CCC[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC000735624797 599451561 /nfs/dbraw/zinc/45/15/61/599451561.db2.gz BAQBUOFSVBPNCZ-CYBMUJFWSA-N 1 0 390.463 2.743 20 0 GFADRO CCCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000821105010 599458788 /nfs/dbraw/zinc/45/87/88/599458788.db2.gz VDXDQTCMSQNHON-YQQQUEKLSA-N 1 0 397.527 2.804 20 0 GFADRO Cc1cc(C)c2ncc(-c3nn[nH]n3)c(NCC[NH+]3Cc4ccccc4C3)c2c1 ZINC000822196323 599500565 /nfs/dbraw/zinc/50/05/65/599500565.db2.gz FAENGBDPSRFQCP-UHFFFAOYSA-N 1 0 385.475 2.881 20 0 GFADRO Cc1ccc([C@H](CNc2c(-c3nn[nH]n3)cnc3ccccc32)[NH+]2CCCC2)o1 ZINC000822230667 599517353 /nfs/dbraw/zinc/51/73/53/599517353.db2.gz NAZICHKWYKXTNC-SFHVURJKSA-N 1 0 389.463 2.987 20 0 GFADRO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1cc(-c2nn[nH]n2)cn1C(C)(C)C ZINC000820995737 599554769 /nfs/dbraw/zinc/55/47/69/599554769.db2.gz WRSJQNNJYKCSPL-HUUCEWRRSA-N 1 0 386.504 2.514 20 0 GFADRO O=C(C[N@@H+]1CCCC2(C1)CCCCCC2)NCc1cccc(-c2nn[nH]n2)c1 ZINC000822998002 599587889 /nfs/dbraw/zinc/58/78/89/599587889.db2.gz YNCUAGZPFQXPET-UHFFFAOYSA-N 1 0 382.512 2.919 20 0 GFADRO C[C@@H]1c2c(F)cccc2CC[N@H+]1CCC(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000820818757 599639061 /nfs/dbraw/zinc/63/90/61/599639061.db2.gz BDGFPYMJOASWPS-CYBMUJFWSA-N 1 0 380.427 2.954 20 0 GFADRO COc1ccccc1C[C@H](C)[N@H+](C)CCC(=O)Nc1ccccc1-c1nn[nH]n1 ZINC000821890298 599643040 /nfs/dbraw/zinc/64/30/40/599643040.db2.gz LPKNDLNHSCVAMA-HNNXBMFYSA-N 1 0 394.479 2.767 20 0 GFADRO CC[NH+]1CCC(CCNC(=O)N(Cc2ccc(-c3nn[nH]n3)cc2)C(C)C)CC1 ZINC000821240812 599677091 /nfs/dbraw/zinc/67/70/91/599677091.db2.gz JHSOLDUHDGESIN-UHFFFAOYSA-N 1 0 399.543 2.909 20 0 GFADRO C[C@@H](NC(=O)N(C)Cc1ccc(C[NH+](C)C)cc1)c1cccc(-c2nn[nH]n2)c1 ZINC000820340452 599679874 /nfs/dbraw/zinc/67/98/74/599679874.db2.gz KUXHIOQKCJUDPO-OAHLLOKOSA-N 1 0 393.495 2.831 20 0 GFADRO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@@H+](C)C2CCC2)c1-c1nn[nH]n1 ZINC000822015121 599690544 /nfs/dbraw/zinc/69/05/44/599690544.db2.gz CXNAZWUIEIJDCI-UHFFFAOYSA-N 1 0 379.468 2.697 20 0 GFADRO Cc1cccc(NC[C@H]2CC[N@@H+]([C@H](C)C(=O)NCc3ccc(C(=O)[O-])cc3)C2)[nH+]1 ZINC000738736485 600094947 /nfs/dbraw/zinc/09/49/47/600094947.db2.gz NOWTXBIBQUWDHF-SJLPKXTDSA-N 1 0 396.491 2.527 20 0 GFADRO CC(C)Oc1ccc(NC(=O)NC[C@H](C)[NH+]2CCCCC2)cc1-c1nn[nH]n1 ZINC000820169638 607425739 /nfs/dbraw/zinc/42/57/39/607425739.db2.gz LJLRXWCKPXJABI-AWEZNQCLSA-N 1 0 387.488 2.650 20 0 GFADRO Cc1cc(-c2nn[nH]n2)ccc1C(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000826247398 607431166 /nfs/dbraw/zinc/43/11/66/607431166.db2.gz BNOUWGULEKRNEO-OAHLLOKOSA-N 1 0 391.479 2.526 20 0 GFADRO CN(C)[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)c1c(F)cccc1F ZINC000821579839 607481993 /nfs/dbraw/zinc/48/19/93/607481993.db2.gz PVADHHVVTKLLJW-MRXNPFEDSA-N 1 0 376.386 2.677 20 0 GFADRO C[N@H+](Cc1ccnc(-c2nn[nH]n2)c1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000825986336 607488731 /nfs/dbraw/zinc/48/87/31/607488731.db2.gz ZDVXWFJGMAMCRA-HZPDHXFCSA-N 1 0 391.262 2.659 20 0 GFADRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N[C@H](C)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000820092251 607497729 /nfs/dbraw/zinc/49/77/29/607497729.db2.gz JSXYDKVRAACFPR-CVEARBPZSA-N 1 0 385.516 2.595 20 0 GFADRO COc1ccc(CN(C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1-c1nn[nH]n1 ZINC000826192622 607524015 /nfs/dbraw/zinc/52/40/15/607524015.db2.gz UNPKIGQBKYJZQX-GOSISDBHSA-N 1 0 378.480 2.582 20 0 GFADRO COc1ccc(-c2nn[nH]n2)cc1CN1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000826182440 607526270 /nfs/dbraw/zinc/52/62/70/607526270.db2.gz JSVPHWSFONIIQA-QGZVFWFLSA-N 1 0 384.528 2.963 20 0 GFADRO COc1ccc(-c2nn[nH]n2)cc1CN1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000826182262 607615841 /nfs/dbraw/zinc/61/58/41/607615841.db2.gz FVYBCAYHNYDPMI-IRXDYDNUSA-N 1 0 384.528 2.962 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)NC1(c2cccc(-c3nn[nH]n3)c2)CC1)c1cccs1 ZINC000825849403 607645919 /nfs/dbraw/zinc/64/59/19/607645919.db2.gz LEGFNOPKKFWGFQ-OAHLLOKOSA-N 1 0 397.508 2.519 20 0 GFADRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)c1ccc(-c2nn[nH]n2)cc1C ZINC000825434828 607682706 /nfs/dbraw/zinc/68/27/06/607682706.db2.gz GUQAPFGAWHYNEI-UHFFFAOYSA-N 1 0 378.480 2.899 20 0 GFADRO Cc1cc(-c2nn[nH]n2)ccc1C(=O)N1CC[N@@H+](Cc2ccccc2)CC[C@@H]1C ZINC000826245731 607700699 /nfs/dbraw/zinc/70/06/99/607700699.db2.gz GHTHVTKTBQUOHL-KRWDZBQOSA-N 1 0 390.491 2.912 20 0 GFADRO COc1cccc(OCC[NH+]2CCC(Oc3ccc(-c4nn[nH]n4)cc3)CC2)c1 ZINC000826217405 607740509 /nfs/dbraw/zinc/74/05/09/607740509.db2.gz LBTJPEJLBZKQCV-UHFFFAOYSA-N 1 0 395.463 2.798 20 0 GFADRO Cc1cc(-c2nn[nH]n2)ccc1C(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000826247086 607771147 /nfs/dbraw/zinc/77/11/47/607771147.db2.gz SVJAGDSSPLFINL-UHFFFAOYSA-N 1 0 382.512 2.948 20 0 GFADRO CC(C)CC[NH+]1CCC(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCCN2C(=O)[O-])CC1 ZINC000833793835 605828913 /nfs/dbraw/zinc/82/89/13/605828913.db2.gz INFRORFBOUSZSJ-XUVXKRRUSA-N 1 0 381.561 2.882 20 0 GFADRO COc1ccc(C[NH+]2CCC(CNc3ccc(-c4nn[nH]n4)nc3)CC2)cc1 ZINC000821794976 606064531 /nfs/dbraw/zinc/06/45/31/606064531.db2.gz RJDVFFIBRKFWPU-UHFFFAOYSA-N 1 0 379.468 2.594 20 0 GFADRO Cc1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3F)C2)nc1 ZINC000822242408 606069732 /nfs/dbraw/zinc/06/97/32/606069732.db2.gz KHLRTQWZQFOYRE-MRXNPFEDSA-N 1 0 395.442 2.560 20 0 GFADRO C[C@@H]1[C@H](Cc2ccccc2)CC[N@@H+]1C[C@@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000820642732 606112597 /nfs/dbraw/zinc/11/25/97/606112597.db2.gz LBYUIIVCCHFQBJ-LSTHTHJFSA-N 1 0 393.491 2.560 20 0 GFADRO Cc1oc(NC(=O)C[N@H+]2CC[C@H](Cc3ccccc3)[C@H]2C)c(-c2nn[nH]n2)c1C ZINC000822548749 606114109 /nfs/dbraw/zinc/11/41/09/606114109.db2.gz NDEACCJZQJJATA-RHSMWYFYSA-N 1 0 394.479 2.968 20 0 GFADRO C[C@@H](C(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2)[N@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000819876941 606115078 /nfs/dbraw/zinc/11/50/78/606115078.db2.gz KPWCTRRIHOVMIX-RWMBFGLXSA-N 1 0 386.525 2.866 20 0 GFADRO c1c(C[NH+]2CCC(OC[C@@H]3CCCCO3)CC2)c(-c2nn[nH]n2)c2ccccn12 ZINC000823802618 606118230 /nfs/dbraw/zinc/11/82/30/606118230.db2.gz UVURXMITBWXZMK-SFHVURJKSA-N 1 0 396.495 2.670 20 0 GFADRO CCc1ccc(C(C)(C)C[NH2+][C@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000821477095 606201470 /nfs/dbraw/zinc/20/14/70/606201470.db2.gz YEHJVGMWZJAKTA-SFHVURJKSA-N 1 0 378.480 2.523 20 0 GFADRO C[C@@H]([NH2+]C1(CNc2cccc(-c3nn[nH]n3)n2)CCOCC1)c1ccccc1 ZINC000820412212 606219740 /nfs/dbraw/zinc/21/97/40/606219740.db2.gz KWJPBTFNHPFWCS-OAHLLOKOSA-N 1 0 379.468 2.574 20 0 GFADRO C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(Sc2ccccc2-c2nn[nH]n2)cc1 ZINC000821625626 606264056 /nfs/dbraw/zinc/26/40/56/606264056.db2.gz SGLVCSJOLBCIBR-OAHLLOKOSA-N 1 0 394.504 2.842 20 0 GFADRO CCOc1ccc([C@H](C)[NH2+][C@H]2CCN(c3sccc3-c3nn[nH]n3)C2=O)cc1 ZINC000821418265 606297984 /nfs/dbraw/zinc/29/79/84/606297984.db2.gz YIYMDVXNKQVNMI-LRDDRELGSA-N 1 0 398.492 2.783 20 0 GFADRO CCC[C@@H]([NH2+]CCS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)c1ccccc1 ZINC000821021919 606307375 /nfs/dbraw/zinc/30/73/75/606307375.db2.gz PXKCFGAELBGVQZ-GOSISDBHSA-N 1 0 385.493 2.771 20 0 GFADRO OCC1([NH2+]Cc2cccc(OCc3cccc(-c4nn[nH]n4)c3)c2)CCCC1 ZINC000823712954 606338078 /nfs/dbraw/zinc/33/80/78/606338078.db2.gz AKBSKWXSTVRFLP-UHFFFAOYSA-N 1 0 379.464 2.840 20 0 GFADRO Cc1ccc(C[NH+](C)C)cc1NC(=O)CSc1ccc(-c2nn[nH]n2)cc1 ZINC000822237437 606368100 /nfs/dbraw/zinc/36/81/00/606368100.db2.gz TYKWMGHAQHKGBW-UHFFFAOYSA-N 1 0 382.493 2.968 20 0 GFADRO Cc1cc([C@@H](C)[NH2+][C@@H]2CCN(c3sccc3-c3nn[nH]n3)C2=O)ccc1F ZINC000822191849 606417132 /nfs/dbraw/zinc/41/71/32/606417132.db2.gz SILYKDKHGIDOKA-IAQYHMDHSA-N 1 0 386.456 2.832 20 0 GFADRO O=C(C[NH+]1CCC(c2ccc(F)cc2)CC1)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000822993132 606455853 /nfs/dbraw/zinc/45/58/53/606455853.db2.gz OTQWLYBWFJVXTP-UHFFFAOYSA-N 1 0 394.454 2.502 20 0 GFADRO O=C(CC[N@@H+]1CCS[C@@H]2CCCC[C@H]21)Nc1sccc1-c1nn[nH]n1 ZINC000822969563 606528128 /nfs/dbraw/zinc/52/81/28/606528128.db2.gz RFMKRWUKOOWOST-CHWSQXEVSA-N 1 0 378.527 2.617 20 0 GFADRO CC[NH+](CC)[C@H](CNC(=O)c1cc(-c2nn[nH]n2)cs1)c1ccsc1 ZINC000821181062 606536597 /nfs/dbraw/zinc/53/65/97/606536597.db2.gz JHZSMGBNGBWHAF-CYBMUJFWSA-N 1 0 376.511 2.803 20 0 GFADRO C[NH+](C)CCn1ccc2ccc(NC(=O)c3ccc(-c4nn[nH]n4)s3)cc21 ZINC000821587290 606569898 /nfs/dbraw/zinc/56/98/98/606569898.db2.gz PMCCSNSGADMTQY-UHFFFAOYSA-N 1 0 381.465 2.697 20 0 GFADRO CN(C(=O)Cc1cccc(-c2nn[nH]n2)c1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000821570814 606580968 /nfs/dbraw/zinc/58/09/68/606580968.db2.gz MFBSEWOBWKIZKK-HXUWFJFHSA-N 1 0 390.491 2.532 20 0 GFADRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000820759811 606584085 /nfs/dbraw/zinc/58/40/85/606584085.db2.gz NWLOUTUCNBFKMH-HNAYVOBHSA-N 1 0 376.464 2.507 20 0 GFADRO CC(C)CC(C)(C)C(=O)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000820051325 606606293 /nfs/dbraw/zinc/60/62/93/606606293.db2.gz NCLVGNXRGMQAQI-UHFFFAOYSA-N 1 0 384.528 2.973 20 0 GFADRO C[C@]1(c2ccccc2)CC[N@H+](CCC(=O)Nc2ccccc2-c2nn[nH]n2)C1 ZINC000820634194 606718283 /nfs/dbraw/zinc/71/82/83/606718283.db2.gz FXBGYAQULRITQC-NRFANRHFSA-N 1 0 376.464 2.859 20 0 GFADRO CC[C@@H]([NH2+]Cc1cccc(-c2nn[nH]n2)c1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000820926628 606742425 /nfs/dbraw/zinc/74/24/25/606742425.db2.gz UIJJIZPQLBCHPD-NHCUHLMSSA-N 1 0 392.507 2.636 20 0 GFADRO C[C@@H]1CCc2c(sc(NC(=O)CC[N@@H+]3C[C@H]4CCC[C@H]43)c2-c2nn[nH]n2)C1 ZINC000820727082 606750225 /nfs/dbraw/zinc/75/02/25/606750225.db2.gz GLQXBVINAOZUIM-YRGRVCCFSA-N 1 0 386.525 2.866 20 0 GFADRO Fc1ccc2oc(C[N@@H+]3CCCN(c4ccccc4-c4nn[nH]n4)CC3)nc2c1 ZINC000822786499 606765225 /nfs/dbraw/zinc/76/52/25/606765225.db2.gz LLWVGWYJMPWGDI-UHFFFAOYSA-N 1 0 393.426 2.859 20 0 GFADRO CC(C)C[N@H+](CCS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)CC(C)(C)C ZINC000820087776 606796188 /nfs/dbraw/zinc/79/61/88/606796188.db2.gz ZWKQOLHHXREPQK-UHFFFAOYSA-N 1 0 379.530 2.645 20 0 GFADRO O[C@H](C[NH+]1CCC(OCc2ccccc2)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823675541 606849362 /nfs/dbraw/zinc/84/93/62/606849362.db2.gz XGJFGHYWIREPBT-HXUWFJFHSA-N 1 0 379.464 2.581 20 0 GFADRO C[C@@H]([NH2+]C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1)c1ccccc1OC(F)F ZINC000820419852 606851811 /nfs/dbraw/zinc/85/18/11/606851811.db2.gz KVWRXTNUOYFODL-IAQYHMDHSA-N 1 0 375.379 2.852 20 0 GFADRO O[C@@H](C[NH2+]Cc1ccc(F)cc1C(F)(F)F)c1ccc(-c2nn[nH]n2)cc1 ZINC000823690777 606855422 /nfs/dbraw/zinc/85/54/22/606855422.db2.gz UERXVILKLOSPPZ-HNNXBMFYSA-N 1 0 381.333 2.848 20 0 GFADRO C[N@@H+](Cc1ccccc1N1CCCC1)C[C@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821614819 606881343 /nfs/dbraw/zinc/88/13/43/606881343.db2.gz WCMJYEQDKNGDGE-FQEVSTJZSA-N 1 0 378.480 2.632 20 0 GFADRO O[C@@H](C[NH+]1CCC(COc2ccccc2)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823675158 606888266 /nfs/dbraw/zinc/88/82/66/606888266.db2.gz VGQOQRYAKBKEMH-FQEVSTJZSA-N 1 0 379.464 2.691 20 0 GFADRO COc1ccccc1CC1CC[NH+](C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000821891259 606892199 /nfs/dbraw/zinc/89/21/99/606892199.db2.gz YQTOLZWOTCKQRH-HXUWFJFHSA-N 1 0 393.491 2.863 20 0 GFADRO CC1(C)CO[C@H](c2ccccc2)C[N@@H+]1C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000820606946 606893310 /nfs/dbraw/zinc/89/33/10/606893310.db2.gz GPUHKDUGBHXYGP-MOPGFXCFSA-N 1 0 379.464 2.752 20 0 GFADRO O[C@@H](C[NH+]1CCC(Cc2ccccc2F)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823672799 606898014 /nfs/dbraw/zinc/89/80/14/606898014.db2.gz HCJHQSDXPXDSDA-FQEVSTJZSA-N 1 0 381.455 2.994 20 0 GFADRO Cc1ccccc1[C@@H]1C[N@H+](C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)[C@H](C)CO1 ZINC000822351754 606903874 /nfs/dbraw/zinc/90/38/74/606903874.db2.gz PWMNTOFYQLSXGY-YSGRDPCXSA-N 1 0 379.464 2.671 20 0 GFADRO CC(C)C1CCC([NH+]2CCN(C[C@H](O)c3ccc(-c4nn[nH]n4)cc3)CC2)CC1 ZINC000820037741 606910330 /nfs/dbraw/zinc/91/03/30/606910330.db2.gz GMZCHHMSAVTACX-JITJBCMDSA-N 1 0 398.555 2.733 20 0 GFADRO CC(C)C1CCC([NH+]2CCN(C[C@@H](O)c3ccc(-c4nn[nH]n4)cc3)CC2)CC1 ZINC000820037740 606910652 /nfs/dbraw/zinc/91/06/52/606910652.db2.gz GMZCHHMSAVTACX-FBPXKMNZSA-N 1 0 398.555 2.733 20 0 GFADRO Cc1cccc(NC2CC[NH+](C[C@@H](O)c3ccc(-c4nn[nH]n4)cc3)CC2)c1 ZINC000822323618 606928147 /nfs/dbraw/zinc/92/81/47/606928147.db2.gz KLBQNFJCWQFHLT-HXUWFJFHSA-N 1 0 378.480 2.785 20 0 GFADRO CC[C@H](C(=O)Nc1ccc(Oc2ccc(-c3nn[nH]n3)cc2OC)cc1)[NH+](C)C ZINC000820841612 606969168 /nfs/dbraw/zinc/96/91/68/606969168.db2.gz APKZHSYVRUXFNT-MRXNPFEDSA-N 1 0 396.451 2.946 20 0 GFADRO O=C(NC[C@H]1CCCC[N@H+]1Cc1ccc(F)c(-c2nn[nH]n2)c1)c1ccccc1 ZINC000823176304 606979703 /nfs/dbraw/zinc/97/97/03/606979703.db2.gz RGIQEPGFECAVNY-QGZVFWFLSA-N 1 0 394.454 2.790 20 0 GFADRO CC[C@H](C[NH+]1CCCC1)NC(=O)N(Cc1ccc(-c2nn[nH]n2)cc1)C(C)C ZINC000820903167 606987099 /nfs/dbraw/zinc/98/70/99/606987099.db2.gz RLASCKBMFPZIGR-GOSISDBHSA-N 1 0 385.516 2.661 20 0 GFADRO C[C@H](CC[NH2+]Cc1cccc(OCc2ccccc2-c2nn[nH]n2)c1)[S@@](C)=O ZINC000820243211 607009082 /nfs/dbraw/zinc/00/90/82/607009082.db2.gz YDWCIHDVISFAKO-WQIZZMQYSA-N 1 0 399.520 2.692 20 0 GFADRO OC[C@@H]([NH2+]Cc1cc(-c2nn[nH]n2)cs1)c1cccc(Br)c1 ZINC000823706779 607010425 /nfs/dbraw/zinc/01/04/25/607010425.db2.gz OXNKCXFPKZXICT-CYBMUJFWSA-N 1 0 380.271 2.514 20 0 GFADRO CC[C@@H](C(=O)Nc1ccc(OCc2cccc(-c3nn[nH]n3)c2)c(F)c1)[NH+](C)C ZINC000820843339 607021230 /nfs/dbraw/zinc/02/12/30/607021230.db2.gz WPYOLZFJPUHBJB-KRWDZBQOSA-N 1 0 398.442 2.864 20 0 GFADRO C[C@@H](Nc1c(-c2nn[nH]n2)cnc2c(F)ccc(F)c21)C(C)(C)C[NH+](C)C ZINC000820449948 607044538 /nfs/dbraw/zinc/04/45/38/607044538.db2.gz FBQBGIXEICNPGN-SNVBAGLBSA-N 1 0 375.427 2.503 20 0 GFADRO CN(C)c1ccc(N2CCC([NH2+]Cc3ccc(-c4nn[nH]n4)cc3F)CC2)cc1 ZINC000821589602 607059498 /nfs/dbraw/zinc/05/94/98/607059498.db2.gz VNWUCKWTHWRRSJ-UHFFFAOYSA-N 1 0 395.486 2.830 20 0 GFADRO FC(F)Oc1cc(-c2nn[nH]n2)ccc1CN1CC[NH+](C2CCCCC2)CC1 ZINC000822732057 607075076 /nfs/dbraw/zinc/07/50/76/607075076.db2.gz HOWGXJMHGQNWRW-UHFFFAOYSA-N 1 0 392.454 2.918 20 0 GFADRO COc1cccc(NC(=O)C[C@@H](C)[NH2+][C@@H](C)c2cccc(-c3nn[nH]n3)c2)c1 ZINC000821872686 607087329 /nfs/dbraw/zinc/08/73/29/607087329.db2.gz NSMQQTKMOGGUJJ-KGLIPLIRSA-N 1 0 380.452 2.943 20 0 GFADRO C[C@H](CC(=O)NCCc1ccccc1)[NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1 ZINC000820225098 607089043 /nfs/dbraw/zinc/08/90/43/607089043.db2.gz AQQABGBIBJGSKB-CVEARBPZSA-N 1 0 378.480 2.655 20 0 GFADRO CC(C)(C)OC(=O)NC[C@](C)([NH2+]Cc1ccc(F)cc1-c1nn[nH]n1)C1CC1 ZINC000819940358 607102672 /nfs/dbraw/zinc/10/26/72/607102672.db2.gz YMYSAUBAHFVFFL-IBGZPJMESA-N 1 0 390.463 2.789 20 0 GFADRO C[NH+](C)CCN(Cc1cccc(F)c1)c1ccc(Cl)c(-c2nn[nH]n2)n1 ZINC000821586325 607114819 /nfs/dbraw/zinc/11/48/19/607114819.db2.gz SSNLJEABXRHOPA-UHFFFAOYSA-N 1 0 375.839 2.622 20 0 GFADRO CC[NH+](CC)CCN(Cc1cccs1)C(=O)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000821189615 607131976 /nfs/dbraw/zinc/13/19/76/607131976.db2.gz QIVYFJAVYRZRNL-UHFFFAOYSA-N 1 0 398.536 2.841 20 0 GFADRO C[N@@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)Nc1ccc(-c2nn[nH]n2)cc1Cl ZINC000821623865 607201922 /nfs/dbraw/zinc/20/19/22/607201922.db2.gz UQFNLNXJJZOBBZ-LSDHHAIUSA-N 1 0 375.864 2.611 20 0 GFADRO CCc1ccc([C@H](CNC(=O)c2ncc(-c3nn[nH]n3)cc2Cl)[NH+](C)C)cc1 ZINC000821481580 607231312 /nfs/dbraw/zinc/23/13/12/607231312.db2.gz LOXMWMMWPOCEBZ-INIZCTEOSA-N 1 0 399.886 2.510 20 0 GFADRO Fc1ccc2c(c1)[C@@H]([NH+]1CCN(c3ncccc3-c3nn[nH]n3)CC1)CCC2 ZINC000826376285 607795099 /nfs/dbraw/zinc/79/50/99/607795099.db2.gz WKEMMFWLEKXZGR-SFHVURJKSA-N 1 0 379.443 2.600 20 0 GFADRO c1ccc2c(c1)CC[C@]21C[N@H+](CCCOc2ccc(-c3nn[nH]n3)cc2)CCO1 ZINC000826523113 607802925 /nfs/dbraw/zinc/80/29/25/607802925.db2.gz BAISCFNGBCWCDX-QFIPXVFZSA-N 1 0 391.475 2.810 20 0 GFADRO Cc1ccc([C@H]([NH2+]CCS(=O)(=O)c2cccc(-c3nn[nH]n3)c2)C2CC2)cc1 ZINC000826284367 607814783 /nfs/dbraw/zinc/81/47/83/607814783.db2.gz RRRDESBQMAQQTH-IBGZPJMESA-N 1 0 397.504 2.690 20 0 GFADRO CCC1(CNc2nccnc2-c2nn[nH]n2)CC[NH+](Cc2ccccc2)CC1 ZINC000825171294 607819997 /nfs/dbraw/zinc/81/99/97/607819997.db2.gz OEOMKWBVWHVADV-UHFFFAOYSA-N 1 0 378.484 2.761 20 0 GFADRO CC(C)[N@H+](CCC(=O)Nc1sccc1-c1nn[nH]n1)CCc1nccs1 ZINC000824289320 607831327 /nfs/dbraw/zinc/83/13/27/607831327.db2.gz ZHGKDKIQJXRCHH-UHFFFAOYSA-N 1 0 391.526 2.666 20 0 GFADRO CC(C)[NH+]1CCC(NC(=O)CSc2ccc(-c3nn[nH]n3)cc2Cl)CC1 ZINC000824297054 607845003 /nfs/dbraw/zinc/84/50/03/607845003.db2.gz OZVIJGONQRSWLY-UHFFFAOYSA-N 1 0 394.932 2.601 20 0 GFADRO CC[C@@H]([NH2+]Cc1cccc(-c2nn[nH]n2)c1)[C@H](c1ccc(C)cc1)n1cncn1 ZINC000825147270 607911338 /nfs/dbraw/zinc/91/13/38/607911338.db2.gz HFSUWKNFMPQYOO-UXHICEINSA-N 1 0 388.479 2.924 20 0 GFADRO CC[C@](C)([NH2+]Cc1cccc(C(=O)OC)c1-c1nn[nH]n1)c1nc(C)cs1 ZINC000825043953 607925106 /nfs/dbraw/zinc/92/51/06/607925106.db2.gz LAEQXCMEMJRTIG-SFHVURJKSA-N 1 0 386.481 2.833 20 0 GFADRO O[C@H]1C[C@@H](c2ccc(F)cc2)[N@H+](CCCOc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000826506442 607942879 /nfs/dbraw/zinc/94/28/79/607942879.db2.gz UUPRNXZKDOZWJM-HKUYNNGSSA-N 1 0 383.427 2.583 20 0 GFADRO O=C([C@H]1CCCC[N@@H+]1Cc1ccccc1)N1CCc2ccc(-c3nn[nH]n3)cc21 ZINC000826398653 607946618 /nfs/dbraw/zinc/94/66/18/607946618.db2.gz BDYRRSFCQYXCSB-LJQANCHMSA-N 1 0 388.475 2.811 20 0 GFADRO C[N@@H+]1CCC[C@@H]2CN(c3ccc(-c4nn[nH]n4)cc3Br)CC[C@H]21 ZINC000826033468 608051492 /nfs/dbraw/zinc/05/14/92/608051492.db2.gz DQFQHGRVUFKTGY-TZMCWYRMSA-N 1 0 377.290 2.550 20 0 GFADRO COc1ccc([C@@](C)(O)[C@H]2CCC[N@@H+]2Cc2cc(-c3nn[nH]n3)ccc2F)cc1 ZINC000826188084 608064529 /nfs/dbraw/zinc/06/45/29/608064529.db2.gz NCYXOIGIXXKIKU-TZIWHRDSSA-N 1 0 397.454 2.887 20 0 GFADRO COc1ccc(C[C@H](C)C[N@H+](C)C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000826191222 608065532 /nfs/dbraw/zinc/06/55/32/608065532.db2.gz AAPVTRCSIRKFOL-MGPUTAFESA-N 1 0 381.480 2.719 20 0 GFADRO Cc1cc(Br)cn2c(C[NH2+]Cc3cccc(-c4nn[nH]n4)c3)cnc12 ZINC000826256762 608128278 /nfs/dbraw/zinc/12/82/78/608128278.db2.gz ZAVQFOHTTWJYGF-UHFFFAOYSA-N 1 0 398.268 2.875 20 0 GFADRO O=C(N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12)c1sccc1-c1nn[nH]n1 ZINC000826429901 608134992 /nfs/dbraw/zinc/13/49/92/608134992.db2.gz PJPSZUDGEKWWFR-HYVNUMGLSA-N 1 0 394.504 2.569 20 0 GFADRO O=C(N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12)c1ccc(-c2nn[nH]n2)cc1 ZINC000826429573 608135062 /nfs/dbraw/zinc/13/50/62/608135062.db2.gz HJNRPUVAUAOGIJ-VAMGGRTRSA-N 1 0 388.475 2.507 20 0 GFADRO c1cc(OC2CCC([NH2+]Cc3nc4c(s3)CCC4)CC2)ncc1-c1nn[nH]n1 ZINC000826517635 608252414 /nfs/dbraw/zinc/25/24/14/608252414.db2.gz JTENMWCMWPYFPQ-UHFFFAOYSA-N 1 0 397.508 2.687 20 0 GFADRO C[C@@H]([NH2+]CCOc1ccc(-c2nn[nH]n2)cc1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000824598105 608279531 /nfs/dbraw/zinc/27/95/31/608279531.db2.gz BTMMYHGJCCKTBH-CYBMUJFWSA-N 1 0 392.463 2.826 20 0 GFADRO COc1ccc2c(c1)[C@@H]([NH2+]CCOc1ccc(-c3nn[nH]n3)cc1)CCCO2 ZINC000826212029 608283117 /nfs/dbraw/zinc/28/31/17/608283117.db2.gz DKJDZNMGYPHWBK-SFHVURJKSA-N 1 0 381.436 2.758 20 0 GFADRO Cc1ccc(-c2nn[nH]n2)c(NCc2ccc(OCC[NH+]3CCCC3)cc2)n1 ZINC000826276385 608286875 /nfs/dbraw/zinc/28/68/75/608286875.db2.gz DKQGXSFSSIVZAL-UHFFFAOYSA-N 1 0 379.468 2.657 20 0 GFADRO Cc1scc(C(=O)N(CC[NH+](C)C)Cc2ccc(-c3nn[nH]n3)cc2)c1C ZINC000826350291 608295838 /nfs/dbraw/zinc/29/58/38/608295838.db2.gz PKUXYGIGLRDDOH-UHFFFAOYSA-N 1 0 384.509 2.749 20 0 GFADRO COCOc1ccc(OC)cc1C[NH2+]C1(c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000826163776 608309069 /nfs/dbraw/zinc/30/90/69/608309069.db2.gz KRORCYDSXYORCZ-UHFFFAOYSA-N 1 0 381.436 2.637 20 0 GFADRO NC(=O)c1ccc(C[NH2+]Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)cc1 ZINC000826393452 608310985 /nfs/dbraw/zinc/31/09/85/608310985.db2.gz SMHPHGKWIXECNS-UHFFFAOYSA-N 1 0 384.443 2.922 20 0 GFADRO Cc1cnc(CC[N@@H+](C)Cc2c(-c3nn[nH]n3)c(C)nn2-c2ccccc2)s1 ZINC000826318495 608318571 /nfs/dbraw/zinc/31/85/71/608318571.db2.gz LRXXTZCXMIDYFH-UHFFFAOYSA-N 1 0 394.508 2.800 20 0 GFADRO C[C@@H](c1ccc(-c2nn[nH]n2)cc1)[NH+]1CCN(Cc2nc3ccccc3[nH]2)CC1 ZINC000824764264 608417929 /nfs/dbraw/zinc/41/79/29/608417929.db2.gz UYEUGCNKJCFMKW-HNNXBMFYSA-N 1 0 388.479 2.622 20 0 GFADRO Cc1ccc([C@@H](C)[NH2+]CCS(=O)(=O)c2cccc(-c3nn[nH]n3)c2)c(C)c1 ZINC000826283028 608436824 /nfs/dbraw/zinc/43/68/24/608436824.db2.gz IRYAGQKEIGIYRI-OAHLLOKOSA-N 1 0 385.493 2.608 20 0 GFADRO C[C@H]([NH2+]CC(=O)Nc1cccc(-c2nn[nH]n2)c1)c1cccc(OC(F)F)c1 ZINC000824564126 608442160 /nfs/dbraw/zinc/44/21/60/608442160.db2.gz RYEZZZRLMNHKJZ-NSHDSACASA-N 1 0 388.378 2.757 20 0 GFADRO O=C(OCc1cccc(-c2nn[nH]n2)c1F)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000826466056 608448633 /nfs/dbraw/zinc/44/86/33/608448633.db2.gz NXPVBEATWICXMN-INIZCTEOSA-N 1 0 395.438 2.961 20 0 GFADRO Cc1nc(CC[NH+]2CCC(C(=O)Nc3cccc(-c4nn[nH]n4)c3)CC2)cs1 ZINC000826325037 608452214 /nfs/dbraw/zinc/45/22/14/608452214.db2.gz LZCDNWZZWDEMIB-UHFFFAOYSA-N 1 0 397.508 2.525 20 0 GFADRO CC(C)Oc1cccc([C@H](C)[NH2+]CC(=O)Nc2cccc(-c3nn[nH]n3)c2)c1 ZINC000824333867 608453200 /nfs/dbraw/zinc/45/32/00/608453200.db2.gz OYWFONNWRKKKRV-AWEZNQCLSA-N 1 0 380.452 2.943 20 0 GFADRO CC[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1-c1nn[nH]n1)c1ccccc1OC ZINC000825139086 608455901 /nfs/dbraw/zinc/45/59/01/608455901.db2.gz BJUIVZZRXPJVIU-XJKSGUPXSA-N 1 0 380.452 2.943 20 0 GFADRO C[C@H]([NH2+]CC(=O)Nc1nc2ccc(F)cc2s1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824562028 608463570 /nfs/dbraw/zinc/46/35/70/608463570.db2.gz BPOWGJALAOLPMH-JTQLQIEISA-N 1 0 397.439 2.905 20 0 GFADRO CCCOc1ccc(CNC(=O)C[NH2+][C@H](C)c2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000825338584 608464307 /nfs/dbraw/zinc/46/43/07/608464307.db2.gz DVXDQSNBZDSRIP-OAHLLOKOSA-N 1 0 394.479 2.623 20 0 GFADRO CC(C)CN(CC(F)(F)F)C(=O)C[NH2+][C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000824255658 608464626 /nfs/dbraw/zinc/46/46/26/608464626.db2.gz SHZNAWBXSYPQKB-GFCCVEGCSA-N 1 0 384.406 2.564 20 0 GFADRO C[C@H]([NH2+]C[C@H](O)COc1ccc(-c2nn[nH]n2)cc1)c1ccc(F)c(Cl)c1 ZINC000824572747 608471062 /nfs/dbraw/zinc/47/10/62/608471062.db2.gz XKMZKPSMDKEGKA-FZMZJTMJSA-N 1 0 391.834 2.750 20 0 GFADRO COc1cc([C@H](C)[NH2+]C2CCN(c3ccc(-c4nn[nH]n4)cn3)CC2)ccc1F ZINC000826177710 608493234 /nfs/dbraw/zinc/49/32/34/608493234.db2.gz RMOCZLWXCUVINC-ZDUSSCGKSA-N 1 0 397.458 2.729 20 0 GFADRO CCSc1ccc([C@H](C)[NH2+]CC(=O)NCc2cccc(-c3nn[nH]n3)c2)cc1 ZINC000825674682 608495107 /nfs/dbraw/zinc/49/51/07/608495107.db2.gz QDELZNXVTUWAPD-AWEZNQCLSA-N 1 0 396.520 2.946 20 0 GFADRO O=C1OCCN1c1cccc(C[NH2+][C@H]2CCCc3cc(-c4nn[nH]n4)ccc32)c1 ZINC000826483087 608504165 /nfs/dbraw/zinc/50/41/65/608504165.db2.gz AHYAKRNAKHJQOZ-IBGZPJMESA-N 1 0 390.447 2.991 20 0 GFADRO CCNC(=O)c1cccc(C[NH2+][C@@H]2CCCc3cc(-c4nn[nH]n4)ccc32)c1 ZINC000825476728 608505131 /nfs/dbraw/zinc/50/51/31/608505131.db2.gz UJXFCQTWGFZUKN-LJQANCHMSA-N 1 0 376.464 2.784 20 0 GFADRO O=C(NCC[NH2+][C@@H]1CCCc2cc(-c3nn[nH]n3)ccc21)c1ccccc1Cl ZINC000826437276 608511200 /nfs/dbraw/zinc/51/12/00/608511200.db2.gz DDJWQSFACMEDIC-GOSISDBHSA-N 1 0 396.882 2.917 20 0 GFADRO CN(C)C(=O)c1cccc(CC[NH2+][C@@H]2CCCc3cc(-c4nn[nH]n4)ccc32)c1 ZINC000825845065 608514779 /nfs/dbraw/zinc/51/47/79/608514779.db2.gz AIJZVSAMHVYYTD-HXUWFJFHSA-N 1 0 390.491 2.778 20 0 GFADRO Fc1cccnc1N1CC[C@@H]([NH2+][C@@H]2CCCc3cc(-c4nn[nH]n4)ccc32)C1 ZINC000826378309 608516697 /nfs/dbraw/zinc/51/66/97/608516697.db2.gz DKEIAHFKLGCENR-CRAIPNDOSA-N 1 0 379.443 2.647 20 0 GFADRO c1c2ccccc2sc1C[NH+]1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1 ZINC000826524172 608518191 /nfs/dbraw/zinc/51/81/91/608518191.db2.gz LOYPDNMRGAJLDD-UHFFFAOYSA-N 1 0 377.477 2.799 20 0 GFADRO COc1ccc(C2([NH2+]CC(=O)Nc3ccc(-c4nn[nH]n4)c(Cl)c3)CC2)cc1 ZINC000826189890 608521230 /nfs/dbraw/zinc/52/12/30/608521230.db2.gz IJJVSJKFXFLONS-UHFFFAOYSA-N 1 0 398.854 2.746 20 0 GFADRO COC[C@@H]([NH2+]CCOc1ccc(-c2nn[nH]n2)cc1)c1ccc(F)c(F)c1 ZINC000826150883 608521256 /nfs/dbraw/zinc/52/12/56/608521256.db2.gz NTJSVCXYGMPHBN-QGZVFWFLSA-N 1 0 375.379 2.501 20 0 GFADRO C[N@H+](Cc1c[nH]nc1-c1ccc2c(c1)OCO2)Cc1cccc(-c2nn[nH]n2)c1 ZINC000825977162 608522625 /nfs/dbraw/zinc/52/26/25/608522625.db2.gz ZKHNFPINSAZENX-UHFFFAOYSA-N 1 0 389.419 2.618 20 0 GFADRO C[C@@H](CNC(=O)OC(C)(C)C)C[NH2+][C@@H]1CCCc2cc(-c3nn[nH]n3)ccc21 ZINC000824421392 608524362 /nfs/dbraw/zinc/52/43/62/608524362.db2.gz SUYGFWLCHSKRRO-CXAGYDPISA-N 1 0 386.500 2.995 20 0 GFADRO O[C@@H](C[NH2+][C@H](c1ccccc1)C1CCOCC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000826502892 608535734 /nfs/dbraw/zinc/53/57/34/608535734.db2.gz MDWRTRLUZFPGSK-VQTJNVASSA-N 1 0 379.464 2.658 20 0 GFADRO O=C(C[NH2+][C@H](C[C@H]1CCOC1)c1ccccc1)Nc1cccc(-c2nn[nH]n2)c1 ZINC000826412362 608551161 /nfs/dbraw/zinc/55/11/61/608551161.db2.gz LJCNGEIGWMNOKA-DNVCBOLYSA-N 1 0 392.463 2.563 20 0 GFADRO O=C(C[NH2+][C@H](C[C@@H]1CCOC1)c1ccccc1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000826412548 608552637 /nfs/dbraw/zinc/55/26/37/608552637.db2.gz SBWHVFKMWHOOSV-HNAYVOBHSA-N 1 0 392.463 2.563 20 0 GFADRO C[C@@H]([NH2+]CC(=O)Nc1ccc(-c2nn[nH]n2)cc1)c1cccc(N2CCCC2)c1 ZINC000824563373 608554593 /nfs/dbraw/zinc/55/45/93/608554593.db2.gz NKMQCUIDLZKBHG-OAHLLOKOSA-N 1 0 391.479 2.756 20 0 GFADRO C[C@H]([NH2+]CC(=O)Nc1c(-c2nn[nH]n2)cnn1-c1ccccc1)C1CCCCC1 ZINC000824565154 608577895 /nfs/dbraw/zinc/57/78/95/608577895.db2.gz ZYXUPAHJKPKUBS-AWEZNQCLSA-N 1 0 394.483 2.549 20 0 GFADRO C[C@@H]1CCc2c(F)cccc2[C@H]1[NH2+]C[C@@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000824966813 608577912 /nfs/dbraw/zinc/57/79/12/608577912.db2.gz DYGLWEGIDHXNNL-RCDCFZSISA-N 1 0 397.454 2.659 20 0 GFADRO CC(C)(C)n1cc(C[N@@H+]2CCCN(c3ccccc3-c3nn[nH]n3)CC2)cn1 ZINC000824148037 608584018 /nfs/dbraw/zinc/58/40/18/608584018.db2.gz KUFCLVRBKSMMQP-UHFFFAOYSA-N 1 0 380.500 2.531 20 0 GFADRO C[NH+](C)CCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)N[C@@H]1CCC(C)(C)C1 ZINC000825865420 608623880 /nfs/dbraw/zinc/62/38/80/608623880.db2.gz DIGJVZMCYQDBBV-QGZVFWFLSA-N 1 0 385.516 2.519 20 0 GFADRO O[C@H](c1ccccc1)[C@@H]1CCCC[N@@H+]1Cc1cnc2ccc(-c3nn[nH]n3)cn12 ZINC000826505372 608661270 /nfs/dbraw/zinc/66/12/70/608661270.db2.gz UFTDLFWGSHTVIW-AZUAARDMSA-N 1 0 389.463 2.603 20 0 GFADRO CC(=O)Nc1ccccc1C[NH+]1CCC(Oc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000824004973 608679588 /nfs/dbraw/zinc/67/95/88/608679588.db2.gz IFUUTOWWWYFXOB-UHFFFAOYSA-N 1 0 392.463 2.869 20 0 GFADRO C[NH+](C)C[C@@H]1CCN(Cc2cccc(OCc3ccccc3-c3nn[nH]n3)c2)C1 ZINC000825860571 608698376 /nfs/dbraw/zinc/69/83/76/608698376.db2.gz RWESNNWFBKOCNC-SFHVURJKSA-N 1 0 392.507 2.829 20 0 GFADRO C[N@@H+](Cc1cccc(OCc2ccccc2-c2nn[nH]n2)c1)C[C@H]1CCOC1 ZINC000825981862 608743718 /nfs/dbraw/zinc/74/37/18/608743718.db2.gz YWIJBLJTCNFMAX-QGZVFWFLSA-N 1 0 379.464 2.914 20 0 GFADRO CC(C)C[C@H]([NH2+]Cc1cc(-c2nn[nH]n2)cs1)C(=O)Nc1nccs1 ZINC000824237901 608758685 /nfs/dbraw/zinc/75/86/85/608758685.db2.gz WLCXOTHWPGRGCK-LBPRGKRZSA-N 1 0 377.499 2.528 20 0 GFADRO COc1ccc(-c2nn[nH]n2)cc1C[N@@H+]1CCC[C@@H]1Cn1cnc2ccccc21 ZINC000826183273 608801652 /nfs/dbraw/zinc/80/16/52/608801652.db2.gz JYNJLIOHMWCVSJ-QGZVFWFLSA-N 1 0 389.463 2.890 20 0 GFADRO C[C@@H]([NH2+][C@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O)c1cc(F)cc(F)c1 ZINC000824547613 609169005 /nfs/dbraw/zinc/16/90/05/609169005.db2.gz QMAPQPGUHDLWBE-XIKOKIGWSA-N 1 0 398.417 2.991 20 0 GFADRO O=C(NCc1ccc(C[NH+]2CCCCCC2)cc1)c1c[nH]c(-c2nn[nH]n2)c1 ZINC000826441861 609204138 /nfs/dbraw/zinc/20/41/38/609204138.db2.gz YSILWSOIETURHM-UHFFFAOYSA-N 1 0 379.468 2.501 20 0 GFADRO C[C@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)cn1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824655878 609251718 /nfs/dbraw/zinc/25/17/18/609251718.db2.gz GJEJZUICOIHDES-BBRMVZONSA-N 1 0 396.474 2.714 20 0 GFADRO Cc1nn(-c2ccccc2)c(C[N@@H+]2CCC[C@H]2C2CCOCC2)c1-c1nn[nH]n1 ZINC000826332361 609283206 /nfs/dbraw/zinc/28/32/06/609283206.db2.gz REZWNZGTTFGODE-SFHVURJKSA-N 1 0 393.495 2.752 20 0 GFADRO CCOC(=O)N[C@H](C[NH2+][C@@H](C)c1ccc(-c2nn[nH]n2)cc1F)CC(C)C ZINC000825523614 609325200 /nfs/dbraw/zinc/32/52/00/609325200.db2.gz RHTRKFRWRCHVEE-JSGCOSHPSA-N 1 0 378.452 2.817 20 0 GFADRO Cn1cc(C[NH2+][C@H]2CCOc3ccccc32)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826361200 609336153 /nfs/dbraw/zinc/33/61/53/609336153.db2.gz OVAPRYMVBQYIGN-SFHVURJKSA-N 1 0 387.447 2.881 20 0 GFADRO CC(C)(C)OC(=O)c1cccc(C[NH2+]CCOc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000824114092 609339145 /nfs/dbraw/zinc/33/91/45/609339145.db2.gz INSQBLXJGSKKEP-UHFFFAOYSA-N 1 0 395.463 2.991 20 0 GFADRO CC[C@@H]1CN(C(=O)C(C)C)CC[C@H]1[NH2+][C@H](C)c1ccc(-c2nn[nH]n2)cc1F ZINC000825203516 609339300 /nfs/dbraw/zinc/33/93/00/609339300.db2.gz NHRQDIMAOQRWLT-HBUWYVDXSA-N 1 0 388.491 2.940 20 0 GFADRO C[C@@H](CC[NH2+][C@@H](C)c1ccc(-c2nn[nH]n2)cc1F)NC(=O)OC(C)(C)C ZINC000824402653 609340371 /nfs/dbraw/zinc/34/03/71/609340371.db2.gz XOVOEAUFRRQHRA-RYUDHWBXSA-N 1 0 378.452 2.960 20 0 GFADRO COc1ccccc1N1CC[C@H]([NH2+][C@@H](C)c2ccc(-c3nn[nH]n3)cc2F)C1 ZINC000826220391 609340498 /nfs/dbraw/zinc/34/04/98/609340498.db2.gz MNMVLAMBTLIYHL-ZFWWWQNUSA-N 1 0 382.443 2.944 20 0 GFADRO C[C@H](CCO)C1(C[NH2+]Cc2cn(C)nc2-c2ccc(-c3nn[nH]n3)cc2)CCC1 ZINC000824406975 609344266 /nfs/dbraw/zinc/34/42/66/609344266.db2.gz UCWXFAJLTSARJF-OAHLLOKOSA-N 1 0 395.511 2.546 20 0 GFADRO C[C@@H]([NH2+]C[C@H]1COC2(CCC(C)CC2)O1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824915746 609347950 /nfs/dbraw/zinc/34/79/50/609347950.db2.gz IAIVVLXAKYOZCG-GXJBLNRDSA-N 1 0 375.448 2.978 20 0 GFADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1ccc(-c2nn[nH]n2)cc1Br ZINC000825452536 609364659 /nfs/dbraw/zinc/36/46/59/609364659.db2.gz PYURBBQGGZPSFU-CABCVRRESA-N 1 0 391.317 2.688 20 0 GFADRO C[C@@H](CCc1ccccc1)[NH2+][C@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000824406580 609410382 /nfs/dbraw/zinc/41/03/82/609410382.db2.gz NHYARGTUANETHZ-JXFKEZNVSA-N 1 0 390.491 2.973 20 0 GFADRO CC[C@@H]([NH2+][C@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O)c1c(C)noc1C ZINC000825139062 609417051 /nfs/dbraw/zinc/41/70/51/609417051.db2.gz AYDLGAKOTJYXMW-SJORKVTESA-N 1 0 395.467 2.708 20 0 GFADRO COc1ccc2c(c1)C[C@H](C)[N@@H+](C[C@@H](O)c1ccc(-c3nn[nH]n3)cc1)[C@@H]2C ZINC000826212268 609431436 /nfs/dbraw/zinc/43/14/36/609431436.db2.gz LHPNFGWAPMOWGW-LRDNONRASA-N 1 0 379.464 2.917 20 0 GFADRO FC(F)(F)c1cc(SCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)ccc1-c1nn[nH]n1 ZINC000826368709 609451214 /nfs/dbraw/zinc/45/12/14/609451214.db2.gz ZDTFYBYIIGWARB-PHIMTYICSA-N 1 0 385.415 2.841 20 0 GFADRO c1ccn2c(c1)nc(NC1CC[NH+](CC3CCCCC3)CC1)c2-c1nn[nH]n1 ZINC000826524022 609467428 /nfs/dbraw/zinc/46/74/28/609467428.db2.gz FXXFHOYWYVAZSR-UHFFFAOYSA-N 1 0 380.500 2.971 20 0 GFADRO Cc1cccc(C[NH+]2CCN(c3ncc(Cl)c(C)c3-c3nn[nH]n3)CC2)c1 ZINC000826298281 609522265 /nfs/dbraw/zinc/52/22/65/609522265.db2.gz LQBYGHIKBKQIFH-UHFFFAOYSA-N 1 0 383.887 2.854 20 0 GFADRO Cc1ccnc(NC2CC[NH+](CCOc3ccc(F)cc3)CC2)c1-c1nn[nH]n1 ZINC000826312433 609574833 /nfs/dbraw/zinc/57/48/33/609574833.db2.gz DLLDCZWHICJSGN-UHFFFAOYSA-N 1 0 397.458 2.665 20 0 GFADRO Cc1ccc(F)c(C[NH2+][C@@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)c1 ZINC000826289424 609600009 /nfs/dbraw/zinc/60/00/09/609600009.db2.gz ZRWFPTTYDRMLCM-GOSISDBHSA-N 1 0 380.427 2.599 20 0 GFADRO CC(C)Cc1ncnc(NC[C@H](C)C[NH+](C)C)c1I ZINC000488999088 650753397 /nfs/dbraw/zinc/75/33/97/650753397.db2.gz YTMZWBCWKXIJTA-NSHDSACASA-N 1 0 376.286 2.889 20 0 GFADRO CCN1CCC([N@@H+]2CCCN(Cn3nc(CSC)oc3=S)CC2)CC1 ZINC000817372014 660192254 /nfs/dbraw/zinc/19/22/54/660192254.db2.gz DQSZQZYADCXKAG-UHFFFAOYSA-N 1 0 385.603 2.518 20 0 GFADRO C[C@@H](CNC(=O)C(F)(F)c1cc(Cl)ccc1Cl)N1CC[NH+](C)CC1 ZINC000817533263 660199664 /nfs/dbraw/zinc/19/96/64/660199664.db2.gz OLENXWKNLWYMGV-NSHDSACASA-N 1 0 380.266 2.837 20 0 GFADRO COC1([C@H](C)[NH2+][C@H](C)c2ccc(S(=O)(=O)C(F)F)cc2)CCOCC1 ZINC000817586888 660201755 /nfs/dbraw/zinc/20/17/55/660201755.db2.gz CJORZAXJODTXJC-OLZOCXBDSA-N 1 0 377.453 2.918 20 0 GFADRO C[NH+](C)C1CCC(NC(=O)/C=C\c2ccc(I)o2)CC1 ZINC000817484856 660198075 /nfs/dbraw/zinc/19/80/75/660198075.db2.gz CSAHVOGUWVETLE-NTMALXAHSA-N 1 0 388.249 2.886 20 0 GFADRO C[NH+](C)C1CCC(NC(=O)/C=C/c2ccc(I)o2)CC1 ZINC000817484854 660198120 /nfs/dbraw/zinc/19/81/20/660198120.db2.gz CSAHVOGUWVETLE-CSKARUKUSA-N 1 0 388.249 2.886 20 0 GFADRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)c1nc(Br)ccc1Br ZINC000817493514 660198370 /nfs/dbraw/zinc/19/83/70/660198370.db2.gz FNFKHGZPGPTABS-VIFPVBQESA-N 1 0 391.107 2.773 20 0 GFADRO CC[NH+]1CCC(N2CCCN(C(=O)C[C@]3(C)CC3(Cl)Cl)CC2)CC1 ZINC000817656564 660204665 /nfs/dbraw/zinc/20/46/65/660204665.db2.gz KQEVLNJDLYHYFZ-QGZVFWFLSA-N 1 0 376.372 2.979 20 0 GFADRO COc1cc(/C=C\C(=O)N(C)C[C@@H]2CCC[N@@H+]2C)cc(Br)c1O ZINC000817675853 660205160 /nfs/dbraw/zinc/20/51/60/660205160.db2.gz CLUKAJNSWVWJGV-FWWRYZNZSA-N 1 0 383.286 2.729 20 0 GFADRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)CSc3nc4ccccc4s3)[C@H]2C1 ZINC000818035548 660214508 /nfs/dbraw/zinc/21/45/08/660214508.db2.gz XICRBWCFADYWMO-LSDHHAIUSA-N 1 0 377.535 2.710 20 0 GFADRO CCS(=O)(=O)c1ccc(Cl)c(C(=O)N2CC3(C[C@@H]2C)CC[NH2+]CC3)c1 ZINC000818291636 660222352 /nfs/dbraw/zinc/22/23/52/660222352.db2.gz BDIZRSCCRMMAAZ-ZDUSSCGKSA-N 1 0 384.929 2.738 20 0 GFADRO COc1ccc(S(=O)(=O)C(F)(F)F)cc1NC(=O)[C@H](C(C)C)[C@@H](C)[NH3+] ZINC000818502401 660227423 /nfs/dbraw/zinc/22/74/23/660227423.db2.gz KESKOXDZXJUEGR-NOZJJQNGSA-N 1 0 382.404 2.547 20 0 GFADRO O[C@H](C[NH2+]Cc1ccc(N2CCOCC2)nc1)c1cccc(Br)c1 ZINC000818945272 660236462 /nfs/dbraw/zinc/23/64/62/660236462.db2.gz ZQUVAEPTWCLURR-QGZVFWFLSA-N 1 0 392.297 2.504 20 0 GFADRO Cc1ccc([C@H](O)C[NH2+]CCNC(=O)c2ccc(Br)cc2)cc1 ZINC000818972967 660239685 /nfs/dbraw/zinc/23/96/85/660239685.db2.gz PZUOZZQERVZYKY-QGZVFWFLSA-N 1 0 377.282 2.811 20 0 GFADRO CC(C)(C)OC(=O)NC[C@@](C)(O)C[NH2+]CCc1ccccc1Br ZINC000818986147 660241746 /nfs/dbraw/zinc/24/17/46/660241746.db2.gz GXFLXXCIOVEBOV-KRWDZBQOSA-N 1 0 387.318 2.857 20 0 GFADRO COc1cc(C[NH2+]C[C@@H](O)c2ccc(F)cn2)cc(Br)c1OC ZINC000818990716 660242175 /nfs/dbraw/zinc/24/21/75/660242175.db2.gz MSJLCLSKOGEWGD-CQSZACIVSA-N 1 0 385.233 2.824 20 0 GFADRO CC(C)(C)c1csc(CC[NH2+]C[C@H](O)c2ccc(S(C)(=O)=O)cc2)n1 ZINC000819019515 660243769 /nfs/dbraw/zinc/24/37/69/660243769.db2.gz AMBNCKONLSRGMD-HNNXBMFYSA-N 1 0 382.551 2.710 20 0 GFADRO CC(C)(C)S(=O)(=O)CC[NH2+]C[C@H](O)COc1c(Cl)cccc1Cl ZINC000819060362 660244929 /nfs/dbraw/zinc/24/49/29/660244929.db2.gz IENNZSDEXLYFGP-NSHDSACASA-N 1 0 384.325 2.536 20 0 GFADRO C[C@H](C[NH2+]C[C@@H](O)COc1cccc(Br)c1)CC1(C)OCCO1 ZINC000819095206 660246422 /nfs/dbraw/zinc/24/64/22/660246422.db2.gz BPIJMJDWWRAKSD-DZGCQCFKSA-N 1 0 388.302 2.568 20 0 GFADRO CS(=O)(=O)c1ccc([C@H](O)C[NH2+]C[C@@H]2SCCc3ccccc32)cc1 ZINC000819132732 660247630 /nfs/dbraw/zinc/24/76/30/660247630.db2.gz HUZCZFOOUXUTLL-MOPGFXCFSA-N 1 0 377.531 2.744 20 0 GFADRO C[C@](O)(C[NH2+][C@H]1CCO[C@]2(CCOC2)C1)c1ccc(Br)cc1F ZINC000819204149 660250124 /nfs/dbraw/zinc/25/01/24/660250124.db2.gz PSDQTPTXBUQUIG-RRQGHBQHSA-N 1 0 388.277 2.723 20 0 GFADRO CN(C)S(=O)(=O)c1cccc(C[NH2+]C[C@@H](O)c2ccc(F)cc2Cl)c1 ZINC000819219320 660250489 /nfs/dbraw/zinc/25/04/89/660250489.db2.gz OYQFDAOTYIECTC-QGZVFWFLSA-N 1 0 386.876 2.553 20 0 GFADRO COCCS(=O)(=O)c1ccc(C[NH2+]C[C@@H](O)c2cccc(Cl)c2)cc1 ZINC000819264391 660252735 /nfs/dbraw/zinc/25/27/35/660252735.db2.gz STSGTMCVPTWPJW-GOSISDBHSA-N 1 0 383.897 2.583 20 0 GFADRO CCNS(=O)(=O)c1cccc(C[NH2+]C[C@@H](O)c2ccc(F)cc2Cl)c1 ZINC000819360586 660256814 /nfs/dbraw/zinc/25/68/14/660256814.db2.gz LEKACOKFTXYLDM-QGZVFWFLSA-N 1 0 386.876 2.601 20 0 GFADRO O[C@H](C[NH2+]C[C@@H](N1CCOCC1)C(F)(F)F)c1ccc(Cl)cc1Cl ZINC000819309128 660254517 /nfs/dbraw/zinc/25/45/17/660254517.db2.gz LGDJKGLCVTXDIO-ZIAGYGMSSA-N 1 0 387.229 2.880 20 0 GFADRO CC(C)(C)OC(=O)CS(=O)(=O)CC[NH2+][C@H]1C[C@H](c2ccccc2Cl)C1 ZINC000819333919 660255294 /nfs/dbraw/zinc/25/52/94/660255294.db2.gz TVAUIPSKFUNZPY-HDJSIYSDSA-N 1 0 387.929 2.932 20 0 GFADRO CS(=O)(=O)c1ccc(C[NH2+]C[C@@H](O)c2ccc(C(F)(F)F)cc2)s1 ZINC000819256682 660252148 /nfs/dbraw/zinc/25/21/48/660252148.db2.gz OFRFOMGTUHTRNP-CYBMUJFWSA-N 1 0 379.425 2.994 20 0 GFADRO COC(=O)[C@@H]1CN(c2cc(C)[nH+]c(N)n2)C[C@H]1c1ccc(Br)cc1 ZINC000819947962 660276199 /nfs/dbraw/zinc/27/61/99/660276199.db2.gz VGRJFMMUIYZFEQ-UONOGXRCSA-N 1 0 391.269 2.523 20 0 GFADRO C[N@@H+]1CCC[C@]2(CCN(C(=O)c3ccc4c(Br)cnn4c3)C2)C1 ZINC000820607992 660299012 /nfs/dbraw/zinc/29/90/12/660299012.db2.gz DKDMBIWEGBLXMD-KRWDZBQOSA-N 1 0 377.286 2.655 20 0 GFADRO CC[NH+](CC)CCN(Cc1cccs1)S(=O)(=O)c1cnc(OC)s1 ZINC000820779027 660305445 /nfs/dbraw/zinc/30/54/45/660305445.db2.gz AOUKITIWBCIABW-UHFFFAOYSA-N 1 0 389.568 2.746 20 0 GFADRO C[NH+](C)[C@@H]1CCN(c2ccc(NC(=O)c3csc(Br)n3)nc2)C1 ZINC000821124601 660316663 /nfs/dbraw/zinc/31/66/63/660316663.db2.gz AKDBQPPYOFNATI-LLVKDONJSA-N 1 0 396.314 2.693 20 0 GFADRO CC(C)[NH2+]C1(CO)CCN(C(=O)c2cc(Br)cnc2C2CC2)CC1 ZINC000821271038 660319835 /nfs/dbraw/zinc/31/98/35/660319835.db2.gz NBLKIMZOFQKPQK-UHFFFAOYSA-N 1 0 396.329 2.687 20 0 GFADRO O[C@@H](C[N@H+](CCn1cnc(Br)n1)Cc1ccccc1)c1ccco1 ZINC000821385811 660323796 /nfs/dbraw/zinc/32/37/96/660323796.db2.gz GOESFPAVBHXWPP-HNNXBMFYSA-N 1 0 391.269 2.869 20 0 GFADRO CCN(C(=O)C[C@@H]1C(=O)Nc2c1cccc2Br)C1CC[NH+](C)CC1 ZINC000821400489 660324655 /nfs/dbraw/zinc/32/46/55/660324655.db2.gz BZRWJVUSCMOQJI-AWEZNQCLSA-N 1 0 394.313 2.818 20 0 GFADRO CCN(C(=O)c1cc(Br)c2nccnc2c1)C1CC[NH+](C)CC1 ZINC000821401507 660324700 /nfs/dbraw/zinc/32/47/00/660324700.db2.gz VDQGDTRCUIIKIF-UHFFFAOYSA-N 1 0 377.286 2.949 20 0 GFADRO O=C(NC1CC[NH+](C2CCC2)CC1)c1cnn2cccc(Br)c12 ZINC000821891418 660336507 /nfs/dbraw/zinc/33/65/07/660336507.db2.gz DADKDVUEBINBIP-UHFFFAOYSA-N 1 0 377.286 2.844 20 0 GFADRO CCC[N@@H+]1CC[C@@H](NC(=O)N(C)C[C@H](O)c2ccccc2Br)C1 ZINC000823044815 660360349 /nfs/dbraw/zinc/36/03/49/660360349.db2.gz LBMWCNWFHBGROR-CJNGLKHVSA-N 1 0 384.318 2.608 20 0 GFADRO Brc1cc(Cc2noc(C[C@H]3CC[NH2+]C3)n2)cc2c1OCCCO2 ZINC000822946395 660358646 /nfs/dbraw/zinc/35/86/46/660358646.db2.gz DHFBLHWNIFSTAO-LLVKDONJSA-N 1 0 394.269 2.736 20 0 GFADRO COc1ccc(Cc2noc(CC3(C[NH3+])CC3)n2)c(Br)c1OC ZINC000822946958 660358715 /nfs/dbraw/zinc/35/87/15/660358715.db2.gz LRYWBCLDVYJLGR-UHFFFAOYSA-N 1 0 382.258 2.722 20 0 GFADRO COc1nc(-c2noc([C@@H]3C[C@H]4CCCC[C@@H]4[NH2+]3)n2)ncc1Br ZINC000823015963 660359820 /nfs/dbraw/zinc/35/98/20/660359820.db2.gz NDDUOKHJTSZMHA-MIMYLULJSA-N 1 0 380.246 2.891 20 0 GFADRO COc1ccc(Br)cc1C1(c2noc([C@H]3C[NH2+]CCO3)n2)CC1 ZINC000823295443 660367655 /nfs/dbraw/zinc/36/76/55/660367655.db2.gz HMNPFQYGJNDYLJ-CYBMUJFWSA-N 1 0 380.242 2.582 20 0 GFADRO CN(CC[NH+]1CCCCC1)C(=O)c1cc(Br)c2nccnc2c1 ZINC000824109219 660385634 /nfs/dbraw/zinc/38/56/34/660385634.db2.gz RORCMKRBSUXPSU-UHFFFAOYSA-N 1 0 377.286 2.950 20 0 GFADRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)[C@]2(C)CC2(Br)Br)C1 ZINC000824295967 660389249 /nfs/dbraw/zinc/38/92/49/660389249.db2.gz UTXKFMBFRHXHRR-JQWIXIFHSA-N 1 0 382.140 2.729 20 0 GFADRO CC(C)[C@@H](CNC(=O)OC(C)(C)C)C[N@@H+]1CCCC[C@H](S(C)(=O)=O)C1 ZINC000824297113 660389260 /nfs/dbraw/zinc/38/92/60/660389260.db2.gz PWFRTBJACPBYEO-HOTGVXAUSA-N 1 0 376.563 2.682 20 0 GFADRO C[N@@H+](Cc1ccc(F)c(Br)c1)C[C@@H](O)CNC(=O)OC(C)(C)C ZINC000824564679 660397318 /nfs/dbraw/zinc/39/73/18/660397318.db2.gz MKCDHFMIBAMARR-LBPRGKRZSA-N 1 0 391.281 2.906 20 0 GFADRO CCOC(=O)C1CCN(C(=O)C[C@H](C)[NH2+]C[C@]2(C)CC2(Cl)Cl)CC1 ZINC000824773421 660401563 /nfs/dbraw/zinc/40/15/63/660401563.db2.gz KVDDFTGYZQNDEI-LRDDRELGSA-N 1 0 379.328 2.740 20 0 GFADRO C[NH+]1CCC(OCC(=O)NCC2(Cc3ccc(Br)cc3)CC2)CC1 ZINC000825314869 660420089 /nfs/dbraw/zinc/42/00/89/660420089.db2.gz DFRZQTCUMUJLIW-UHFFFAOYSA-N 1 0 395.341 2.999 20 0 GFADRO CS(=O)(=O)c1ccc(C[NH2+]C[C@@H](O)c2ccccc2Br)cc1 ZINC000825338983 660421531 /nfs/dbraw/zinc/42/15/31/660421531.db2.gz XOZRNMSHENXLGA-MRXNPFEDSA-N 1 0 384.295 2.676 20 0 GFADRO Cn1nc(Br)cc1C[NH2+]C[C@@H](O)c1ccccc1Br ZINC000825343003 660421821 /nfs/dbraw/zinc/42/18/21/660421821.db2.gz HHZVNHGVXPFYSV-GFCCVEGCSA-N 1 0 389.091 2.768 20 0 GFADRO CCn1ncc(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(C)cc3)C2)c1Br ZINC000825356117 660422713 /nfs/dbraw/zinc/42/27/13/660422713.db2.gz KHDNVJUWOJUBCF-OAHLLOKOSA-N 1 0 391.313 2.978 20 0 GFADRO C[C@]1(C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)CC1(Br)Br ZINC000825555566 660433066 /nfs/dbraw/zinc/43/30/66/660433066.db2.gz IQKRRHYMNBAIOK-ZYHUDNBSSA-N 1 0 380.124 2.579 20 0 GFADRO C[C@H](CNC(=O)c1c(Br)nc2n1CCC2)[N@H+](C)Cc1ccccc1 ZINC000825797385 660442417 /nfs/dbraw/zinc/44/24/17/660442417.db2.gz VMJHHBVNVLLMFJ-CYBMUJFWSA-N 1 0 391.313 2.842 20 0 GFADRO [NH3+]Cc1cccc(C(=O)N2CCN(Cc3ccc(Br)s3)CC2)c1 ZINC000825884775 660444849 /nfs/dbraw/zinc/44/48/49/660444849.db2.gz GMKGRUBGBZCQKL-UHFFFAOYSA-N 1 0 394.338 2.927 20 0 GFADRO C[N@H+](CCNC(=O)c1cccc(S(=O)(=O)C(F)(F)F)c1)C1CCCC1 ZINC000826565502 660457188 /nfs/dbraw/zinc/45/71/88/660457188.db2.gz PMUODBSYKKZLMB-UHFFFAOYSA-N 1 0 378.416 2.584 20 0 GFADRO COc1cc(/C=C/C(=O)NCC[N@@H+]2CC[C@H](C)C2)cc(Br)c1O ZINC000826722227 660462532 /nfs/dbraw/zinc/46/25/32/660462532.db2.gz OVNPEHCMKNHOCH-PCAWENJQSA-N 1 0 383.286 2.635 20 0 GFADRO Cc1cccc(C(=O)N2CC[C@H]3[C@H](CC[N@H+]3C)C2)c1I ZINC000827339557 660489956 /nfs/dbraw/zinc/48/99/56/660489956.db2.gz UEUXJWCDDJLIJO-OCCSQVGLSA-N 1 0 384.261 2.766 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(C(=O)Cc3noc4ccc(Br)cc43)CC[C@@H]21 ZINC000827245246 660485975 /nfs/dbraw/zinc/48/59/75/660485975.db2.gz JJYRKOUSWBKJLW-ABAIWWIYSA-N 1 0 378.270 2.685 20 0 GFADRO C[NH+]1C[C@]2(C)CN(C(=O)c3cnn4cccc(Br)c34)C[C@@]2(C)C1 ZINC000827598239 660504002 /nfs/dbraw/zinc/50/40/02/660504002.db2.gz NNPLMNYYNBDSIQ-IAGOWNOFSA-N 1 0 377.286 2.511 20 0 GFADRO CC(C)[C@@H](CC[NH2+][C@@H]1CCC[C@H](S(C)(=O)=O)C1)NC(=O)OC(C)(C)C ZINC000827638854 660506208 /nfs/dbraw/zinc/50/62/08/660506208.db2.gz CCCFJVDMFFBEOY-OWCLPIDISA-N 1 0 376.563 2.871 20 0 GFADRO Cn1cc(Br)c(C(=O)NC[C@H]2CC[N@@H+]2C2CCCCCC2)cc1=O ZINC000828489201 660550728 /nfs/dbraw/zinc/55/07/28/660550728.db2.gz PUFBXVURHLDZHR-CQSZACIVSA-N 1 0 396.329 2.675 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc4ccc(Br)cc4c(=O)o3)CC[C@@H]21 ZINC000828511072 660553209 /nfs/dbraw/zinc/55/32/09/660553209.db2.gz KVGVSAILHZCPQQ-DOMZBBRYSA-N 1 0 391.265 2.722 20 0 GFADRO Cc1cc(Br)c(C(=O)NOCC[NH+](C)C)cc1Br ZINC000861858243 662261237 /nfs/dbraw/zinc/26/12/37/662261237.db2.gz PBGOPSAZJPIPMN-UHFFFAOYSA-N 1 0 380.080 2.743 20 0 GFADRO CC(C)CN(CC1CC[NH+](C)CC1)C(=O)c1cc(=O)n(C)cc1Br ZINC000828610035 660559646 /nfs/dbraw/zinc/55/96/46/660559646.db2.gz ZAZSSTBWFPFULH-UHFFFAOYSA-N 1 0 398.345 2.588 20 0 GFADRO CC[NH+](CC)[C@H]1CCN(C(=O)[C@]2(C)CC2(Br)Br)C1 ZINC000829201457 660585088 /nfs/dbraw/zinc/58/50/88/660585088.db2.gz LXAAEZCHBHRJNQ-JQWIXIFHSA-N 1 0 382.140 2.825 20 0 GFADRO CN(CC[NH+]1CC2(C1)CCOCC2)C(=O)[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC000829227630 660585851 /nfs/dbraw/zinc/58/58/51/660585851.db2.gz APGPAFWEXCCLRL-INIZCTEOSA-N 1 0 387.307 2.598 20 0 GFADRO CCS(=O)(=O)CCCCC[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1C ZINC000829662359 660605828 /nfs/dbraw/zinc/60/58/28/660605828.db2.gz ZXARWFQGOGLPFT-CVEARBPZSA-N 1 0 376.563 2.827 20 0 GFADRO CCS(=O)(=O)CCCCC[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1C ZINC000829662360 660605846 /nfs/dbraw/zinc/60/58/46/660605846.db2.gz ZXARWFQGOGLPFT-HOTGVXAUSA-N 1 0 376.563 2.827 20 0 GFADRO O=C(Nc1cccc(C[NH+]2CCC(CO)CC2)c1)c1cc(Br)[nH]n1 ZINC000829890083 660619359 /nfs/dbraw/zinc/61/93/59/660619359.db2.gz XFMCQNAPJQFILH-UHFFFAOYSA-N 1 0 393.285 2.629 20 0 GFADRO C[NH2+]CCOCCN(C)C(=O)Nc1nnc(-c2c(F)cccc2Cl)s1 ZINC000625879697 652374410 /nfs/dbraw/zinc/37/44/10/652374410.db2.gz AVCYIFNHOYKJDK-UHFFFAOYSA-N 1 0 387.868 2.697 20 0 GFADRO CC(C)C(=O)NCCC[NH2+]Cc1cccc(F)c1I ZINC000873097552 662799645 /nfs/dbraw/zinc/79/96/45/662799645.db2.gz BZZYFOMQXFWTJU-UHFFFAOYSA-N 1 0 378.229 2.682 20 0 GFADRO [NH3+]C[C@@]1(C(=O)Nc2ccc(Br)c(Br)c2)CCCOC1 ZINC000877264984 662872759 /nfs/dbraw/zinc/87/27/59/662872759.db2.gz DPJXVZHWGRZINB-ZDUSSCGKSA-N 1 0 392.091 2.906 20 0 GFADRO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)[C@]1(C)CC1(Br)Br ZINC000874823126 662837237 /nfs/dbraw/zinc/83/72/37/662837237.db2.gz FVDYMDSERGBKAE-UMNHJUIQSA-N 1 0 380.124 2.578 20 0 GFADRO CCO[C@@H]1C[C@@H]([NH2+]C[C@@H](O)COc2cccc(Br)c2)[C@@H]1SC ZINC000830418832 660653902 /nfs/dbraw/zinc/65/39/02/660653902.db2.gz KRBAOFGXYATWDG-MIGQKNRLSA-N 1 0 390.343 2.687 20 0 GFADRO CN(C)C(=O)O[C@H]1CC[N@H+](C[C@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000830488542 660659201 /nfs/dbraw/zinc/65/92/01/660659201.db2.gz XIBIOJHOALRKHF-STQMWFEESA-N 1 0 377.268 2.506 20 0 GFADRO CCO[C@@H]1C[C@@H]([NH2+]C[C@@H](O)COc2cccc(C(F)(F)F)c2)[C@@H]1SC ZINC000830428620 660655880 /nfs/dbraw/zinc/65/58/80/660655880.db2.gz KGHYYOQIRCXGMR-MIGQKNRLSA-N 1 0 379.444 2.944 20 0 GFADRO C[NH+]1CCC2(CC1)CN(C[C@H](O)COc1cc(Cl)ccc1Cl)CCO2 ZINC000830631074 660667770 /nfs/dbraw/zinc/66/77/70/660667770.db2.gz VNMWFXSNWTWWLF-HNNXBMFYSA-N 1 0 389.323 2.530 20 0 GFADRO COC[C@H]([NH2+]Cc1ccc(I)s1)[C@@H]1CCCOC1 ZINC000886357691 663108932 /nfs/dbraw/zinc/10/89/32/663108932.db2.gz KKZKABXOCDPJOA-PWSUYJOCSA-N 1 0 381.279 2.884 20 0 GFADRO C[C@@H]1C[C@@H](CCNS(=O)(=O)c2c[nH]nc2Cl)C[N@@H+]1Cc1ccccc1 ZINC000830935703 660687149 /nfs/dbraw/zinc/68/71/49/660687149.db2.gz UBWBZNGWKYNLPI-UKRRQHHQSA-N 1 0 382.917 2.642 20 0 GFADRO COc1cc(CNC(=O)NCCCCCC[NH3+])cc(Br)c1OC ZINC000831123152 660697266 /nfs/dbraw/zinc/69/72/66/660697266.db2.gz GIQCIQHCWWVNDZ-UHFFFAOYSA-N 1 0 388.306 2.785 20 0 GFADRO [NH3+]CCCCCC(=O)N[C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000831235296 660705178 /nfs/dbraw/zinc/70/51/78/660705178.db2.gz BJEWGLRKOVZMCZ-LBPRGKRZSA-N 1 0 378.826 2.968 20 0 GFADRO [NH3+]CCCCCCNC(=O)N(CCO)Cc1cc(Br)ccc1F ZINC000831256942 660706396 /nfs/dbraw/zinc/70/63/96/660706396.db2.gz MIHWSUNNWFMPBH-UHFFFAOYSA-N 1 0 390.297 2.611 20 0 GFADRO CCO[C@H](CNC(=O)C1(c2cc(Br)ccc2OC)CC1)C[NH+](C)C ZINC000831714212 660722081 /nfs/dbraw/zinc/72/20/81/660722081.db2.gz VHWUNMHBRXVODW-CQSZACIVSA-N 1 0 399.329 2.572 20 0 GFADRO COCC[C@@H](NC(=O)c1[nH]nc2c1C[NH2+]CC2)c1ccc(Cl)c(Cl)c1 ZINC000832185478 660761645 /nfs/dbraw/zinc/76/16/45/660761645.db2.gz BJNJLGUICZLJCA-CQSZACIVSA-N 1 0 383.279 2.870 20 0 GFADRO COC(=O)c1sc(S(=O)(=O)NC(C)(C)CCC[NH+](C)C)c(C)c1Cl ZINC000832298346 660772233 /nfs/dbraw/zinc/77/22/33/660772233.db2.gz MJTSHYNWABWNCJ-UHFFFAOYSA-N 1 0 396.962 2.895 20 0 GFADRO CN(CCC[NH3+])C(=O)c1cnn(-c2ncccc2Cl)c1C(F)(F)Cl ZINC000832782287 660800301 /nfs/dbraw/zinc/80/03/01/660800301.db2.gz YZULNDKVFDHEDB-UHFFFAOYSA-N 1 0 378.210 2.630 20 0 GFADRO Cc1nn(C)c(C)c1CC[NH2+]C[C@](C)(O)c1ccc(Br)cc1F ZINC000834357515 660816095 /nfs/dbraw/zinc/81/60/95/660816095.db2.gz LJWRLNCWMYUTHV-KRWDZBQOSA-N 1 0 384.293 2.978 20 0 GFADRO C[C@H](NCc1cccnc1N1CC[NH+](C)CC1)c1nc(Br)cs1 ZINC000834538772 660823844 /nfs/dbraw/zinc/82/38/44/660823844.db2.gz YHWWOJJMXMAPIG-LBPRGKRZSA-N 1 0 396.358 2.903 20 0 GFADRO CCS(=O)(=O)N1CCC(C[NH2+][C@@H](C)c2nc(Br)cs2)CC1 ZINC000834764797 660832366 /nfs/dbraw/zinc/83/23/66/660832366.db2.gz GPWHWQBWKFQMJU-JTQLQIEISA-N 1 0 396.376 2.618 20 0 GFADRO C[C@H](CC(C)(C)C)[NH2+][C@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000834909090 660837504 /nfs/dbraw/zinc/83/75/04/660837504.db2.gz KRQWPRDMZCJWOZ-ZIAGYGMSSA-N 1 0 390.571 2.888 20 0 GFADRO C[C@H](CC[NH2+]Cc1nc2c(s1)CN(C(=O)OC(C)(C)C)CC2)[S@@](C)=O ZINC000835045302 660839502 /nfs/dbraw/zinc/83/95/02/660839502.db2.gz UIBHQGYNKZBICS-XELLLNAOSA-N 1 0 387.571 2.683 20 0 GFADRO CCNS(=O)(=O)CC[NH2+][C@H]1CCCCc2ccc(Br)cc21 ZINC000834640667 660828663 /nfs/dbraw/zinc/82/86/63/660828663.db2.gz PZBMLZMOEULLKT-HNNXBMFYSA-N 1 0 375.332 2.746 20 0 GFADRO C[NH+](C)CCc1ccc(NC(=O)C(=O)NCC[C@]2(C)CC2(Cl)Cl)cc1 ZINC000835854386 660880433 /nfs/dbraw/zinc/88/04/33/660880433.db2.gz SGUOVFJRWLVHIJ-QGZVFWFLSA-N 1 0 386.323 2.819 20 0 GFADRO CSc1nc2ccc(NC(=O)NC[C@@H]3CCCC[N@@H+]3CCO)cc2s1 ZINC000836208405 660895286 /nfs/dbraw/zinc/89/52/86/660895286.db2.gz HPQONMBWQOIVFX-ZDUSSCGKSA-N 1 0 380.539 2.987 20 0 GFADRO CSc1nc2ccc(NC(=O)NC[C@@H]3CCC[N@@H+]3CCCO)cc2s1 ZINC000836207645 660895292 /nfs/dbraw/zinc/89/52/92/660895292.db2.gz BFPRYUBPHOUZQQ-ZDUSSCGKSA-N 1 0 380.539 2.987 20 0 GFADRO C[C@@H]1CCC[N@H+](CCNC(=O)NC[C@@H](O)c2ccccc2Br)C1 ZINC000836236942 660896753 /nfs/dbraw/zinc/89/67/53/660896753.db2.gz WYHUEJUMWVKEDV-CZUORRHYSA-N 1 0 384.318 2.514 20 0 GFADRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)NC[C@@H](O)c1ccccc1Br ZINC000836296124 660898628 /nfs/dbraw/zinc/89/86/28/660898628.db2.gz YQWSVMSIFNFNJM-CZUORRHYSA-N 1 0 384.318 2.656 20 0 GFADRO CCC[N@H+](CC)C[C@H](C)NC(=O)NC[C@@H](O)c1ccccc1Br ZINC000836468728 660908749 /nfs/dbraw/zinc/90/87/49/660908749.db2.gz ORYFYRZJWVVUDR-XJKSGUPXSA-N 1 0 386.334 2.902 20 0 GFADRO C[C@@]1(CNC(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)CC1(Cl)Cl ZINC000836393113 660903388 /nfs/dbraw/zinc/90/33/88/660903388.db2.gz PFWKPLHQMIIKRF-WBVHZDCISA-N 1 0 386.323 2.636 20 0 GFADRO C[C@]1(CCNC(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)CC1(Cl)Cl ZINC000836619423 660921551 /nfs/dbraw/zinc/92/15/51/660921551.db2.gz KCWLXTOFQPQRIP-LZWOXQAQSA-N 1 0 378.344 2.637 20 0 GFADRO O=C(NC[C@H](O)c1ccccc1Br)NC1CC[NH+](C2CCC2)CC1 ZINC000836646524 660923958 /nfs/dbraw/zinc/92/39/58/660923958.db2.gz WDLKANLNOBGPCS-KRWDZBQOSA-N 1 0 396.329 2.799 20 0 GFADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)Nc2ccnc(Br)c2C)CC1 ZINC000836678041 660925900 /nfs/dbraw/zinc/92/59/00/660925900.db2.gz NIOJWLNBXJKNLV-ZDUSSCGKSA-N 1 0 398.349 2.548 20 0 GFADRO CC[S@@](=O)CCNC(=O)Nc1cc(Cl)ccc1OC1CC[NH+](C)CC1 ZINC000836763882 660940583 /nfs/dbraw/zinc/94/05/83/660940583.db2.gz CBDAMJVBIGWVAQ-RUZDIDTESA-N 1 0 387.933 2.703 20 0 GFADRO CC[NH+]1CCN(CC(C)(C)NC(=O)Nc2ccnc(Br)c2C)CC1 ZINC000836689819 660930775 /nfs/dbraw/zinc/93/07/75/660930775.db2.gz XTSGEQIAFLNNQF-UHFFFAOYSA-N 1 0 398.349 2.690 20 0 GFADRO C[NH+]1CCC2(CCCN(C(=O)c3ccc(I)cn3)C2)CC1 ZINC000836785663 660944396 /nfs/dbraw/zinc/94/43/96/660944396.db2.gz RIVXVIOXZFTYJB-UHFFFAOYSA-N 1 0 399.276 2.634 20 0 GFADRO Cc1ccc(C[C@H](CO)CNC(=O)C2([NH+](C)C)CCC2)cc1Br ZINC000836991927 660962769 /nfs/dbraw/zinc/96/27/69/660962769.db2.gz JLSVFDNQXCDZKL-HNNXBMFYSA-N 1 0 383.330 2.509 20 0 GFADRO CC1CC[NH+](CCCNC(=O)CNC(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000028069017 654570115 /nfs/dbraw/zinc/57/01/15/654570115.db2.gz OMLYRBACEFYDOK-UHFFFAOYSA-N 1 0 386.323 2.961 20 0 GFADRO CCC[NH+]1CCC(NS(=O)(=O)c2cc(Br)cnc2Cl)CC1 ZINC000041066318 654622131 /nfs/dbraw/zinc/62/21/31/654622131.db2.gz DEYCDNOOCMFFQK-UHFFFAOYSA-N 1 0 396.738 2.650 20 0 GFADRO O=C(Nc1ccc(I)cc1)N1CC[NH+](CC2CC2)CC1 ZINC000047333037 654693612 /nfs/dbraw/zinc/69/36/12/654693612.db2.gz JQWKCLLXSIUCLL-UHFFFAOYSA-N 1 0 385.249 2.851 20 0 GFADRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1c(Br)nc2n1CCCC2 ZINC000837362734 660989230 /nfs/dbraw/zinc/98/92/30/660989230.db2.gz LBEXMDKNXSXHQK-CHWSQXEVSA-N 1 0 383.334 2.832 20 0 GFADRO C[NH+](C)CC1(CNC(=O)c2c(Br)nc3n2CCCC3)CCCC1 ZINC000837532672 661003882 /nfs/dbraw/zinc/00/38/82/661003882.db2.gz GSVWSIMNINXFDR-UHFFFAOYSA-N 1 0 383.334 2.834 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)NCc2cn3cc(Br)ccc3n2)C[N@@H+]1C1CC1 ZINC000122189995 654731075 /nfs/dbraw/zinc/73/10/75/654731075.db2.gz LMLOPIJATDXJPX-DGCLKSJQSA-N 1 0 392.301 2.521 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2c(Br)nc3n2CCCC3)[C@H](C)C1 ZINC000837435940 660997045 /nfs/dbraw/zinc/99/70/45/660997045.db2.gz YLYQXEPVXVSCDY-OLZOCXBDSA-N 1 0 383.334 2.784 20 0 GFADRO C[C@@H]1C[C@H](N(C)CCS(=O)(=O)c2ccc(Br)cc2)CC[N@@H+]1C ZINC000123441175 654756099 /nfs/dbraw/zinc/75/60/99/654756099.db2.gz VQEVMDDOGNOEHY-UKRRQHHQSA-N 1 0 389.359 2.637 20 0 GFADRO CC[N@@H+]1CC[C@H](CNC(=O)Nc2cc(OC)c(OC)cc2Br)C1 ZINC000054484229 654761040 /nfs/dbraw/zinc/76/10/40/654761040.db2.gz ZKVORJXZBNYESG-LLVKDONJSA-N 1 0 386.290 2.930 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)NCC(=O)Nc1ccc(Cl)cc1)c1ccsc1 ZINC000054649719 654762345 /nfs/dbraw/zinc/76/23/45/654762345.db2.gz PLFNTUIPJSUFAA-HNNXBMFYSA-N 1 0 380.901 2.942 20 0 GFADRO CC[NH+](CC)[C@H](C)CNC(=O)N(C)C[C@H](O)c1ccccc1Br ZINC000837507552 661002308 /nfs/dbraw/zinc/00/23/08/661002308.db2.gz AMUOEUIWYIHOHX-CJNGLKHVSA-N 1 0 386.334 2.854 20 0 GFADRO CNC(=O)NC(=O)CN[C@@H](c1cccc(F)c1)c1cccc(Br)c1 ZINC000123940347 654766259 /nfs/dbraw/zinc/76/62/59/654766259.db2.gz GCQIDIJYVNZWBP-MRXNPFEDSA-N 1 0 394.244 2.723 20 0 GFADRO CN(C(=O)[C@@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1)C1CC[NH+](C)CC1 ZINC000055158974 654769746 /nfs/dbraw/zinc/76/97/46/654769746.db2.gz WECXUCHZWNVAIZ-GFCCVEGCSA-N 1 0 384.307 2.899 20 0 GFADRO C[NH+](C)CCC1CCN(C(=O)C(=O)Nc2ccc(Br)cc2)CC1 ZINC000124513350 654777049 /nfs/dbraw/zinc/77/70/49/654777049.db2.gz RXHFIHCTGIESID-UHFFFAOYSA-N 1 0 382.302 2.578 20 0 GFADRO C[NH2+]CCCN(C)S(=O)(=O)c1c(Cl)cc(Br)cc1Cl ZINC000124614162 654779390 /nfs/dbraw/zinc/77/93/90/654779390.db2.gz UXLQDIDHDKCLRI-UHFFFAOYSA-N 1 0 390.130 2.986 20 0 GFADRO CN1CC[NH+](CC2CCN(C(=O)c3cc(Br)ccc3F)CC2)CC1 ZINC000057065871 654799255 /nfs/dbraw/zinc/79/92/55/654799255.db2.gz DDSKUYBDRQZWNK-UHFFFAOYSA-N 1 0 398.320 2.688 20 0 GFADRO C[C@@H](CNC(=O)[C@@H]1CCN(c2cc(Cl)ccc2Cl)C1=O)[N@H+](C)C1CC1 ZINC000057702177 654808504 /nfs/dbraw/zinc/80/85/04/654808504.db2.gz NFTVASPFTRBDLU-FZMZJTMJSA-N 1 0 384.307 2.945 20 0 GFADRO C[C@H]([NH2+]CC1CCN(S(C)(=O)=O)CC1)c1ccc(Br)cc1F ZINC000126491799 654814777 /nfs/dbraw/zinc/81/47/77/654814777.db2.gz UBHMUGIRKDKAOC-NSHDSACASA-N 1 0 393.322 2.910 20 0 GFADRO CC[NH+](CC)CCC(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC000126615055 654816409 /nfs/dbraw/zinc/81/64/09/654816409.db2.gz OUWWICSIBURARG-UHFFFAOYSA-N 1 0 387.933 2.795 20 0 GFADRO CCC(=O)N1CC[C@@H]([NH2+][C@@H](C)CC(=O)Nc2ccc(Br)cc2)C1 ZINC000126662936 654818170 /nfs/dbraw/zinc/81/81/70/654818170.db2.gz NZHMTLYLKVGNKI-SWLSCSKDSA-N 1 0 382.302 2.767 20 0 GFADRO C[NH+](C)CCn1c(=O)oc2ccc(NC(=S)NCc3cccs3)cc21 ZINC000058467819 654818250 /nfs/dbraw/zinc/81/82/50/654818250.db2.gz CSTXGGIRNHJFEF-UHFFFAOYSA-N 1 0 376.507 2.704 20 0 GFADRO O=C(NCc1sccc1Br)N1CCN(c2cc[nH+]cc2)CC1 ZINC000058587692 654820404 /nfs/dbraw/zinc/82/04/04/654820404.db2.gz ZRGYTTKIUPJMGW-UHFFFAOYSA-N 1 0 381.299 2.937 20 0 GFADRO O=S(=O)(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1ccc(F)c(Cl)c1 ZINC000127515998 654830948 /nfs/dbraw/zinc/83/09/48/654830948.db2.gz YYTHCCRPOVHALP-IAGOWNOFSA-N 1 0 390.908 2.525 20 0 GFADRO C[C@@H](CNC(=O)c1c(F)cccc1I)C[NH+]1CCCC1 ZINC000127591493 654832368 /nfs/dbraw/zinc/83/23/68/654832368.db2.gz BWKKYGDJPOJSHR-NSHDSACASA-N 1 0 390.240 2.892 20 0 GFADRO O=S(=O)(NCC[NH2+]Cc1cc(F)c(F)c(F)c1)c1ccc(Cl)s1 ZINC000127909760 654837345 /nfs/dbraw/zinc/83/73/45/654837345.db2.gz NBWARILBGOXECH-UHFFFAOYSA-N 1 0 384.832 2.887 20 0 GFADRO COCc1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1ccc(Br)cc1F)CC2 ZINC000128030779 654840098 /nfs/dbraw/zinc/84/00/98/654840098.db2.gz ZVOTZOHGRHMCHR-CMPLNLGQSA-N 1 0 383.265 2.992 20 0 GFADRO C[NH+](C)CCn1cc(NC(=O)CCOc2ccccc2Br)cn1 ZINC000061638129 654841249 /nfs/dbraw/zinc/84/12/49/654841249.db2.gz OLAOSWOHRMFCKN-UHFFFAOYSA-N 1 0 381.274 2.615 20 0 GFADRO C[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2cccc(Cl)c2SCC(F)F)C1 ZINC000128246096 654843198 /nfs/dbraw/zinc/84/31/98/654843198.db2.gz FHQOAERJMIORFF-JTQLQIEISA-N 1 0 391.871 2.704 20 0 GFADRO C[C@@H](CNC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH+]1CCCC1 ZINC000062110560 654843803 /nfs/dbraw/zinc/84/38/03/654843803.db2.gz JSSPXLCFQKRDKB-JTQLQIEISA-N 1 0 377.794 2.898 20 0 GFADRO CS(=O)(=O)CC[NH2+]Cc1ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc1 ZINC000062423228 654845667 /nfs/dbraw/zinc/84/56/67/654845667.db2.gz HLOXFEWPYCPTLR-NSHDSACASA-N 1 0 379.322 2.693 20 0 GFADRO Cc1ccc(S(=O)(=O)N(C)CC2CC[NH+](C)CC2)c(Br)c1 ZINC000063125588 654849226 /nfs/dbraw/zinc/84/92/26/654849226.db2.gz RMXPLJATLWOFGF-UHFFFAOYSA-N 1 0 375.332 2.720 20 0 GFADRO COc1cc(Br)c(NC(=S)NC2CC[NH+](C)CC2)cc1OC ZINC000063150766 654849817 /nfs/dbraw/zinc/84/98/17/654849817.db2.gz LIOIVEWIDZCYHL-UHFFFAOYSA-N 1 0 388.331 2.847 20 0 GFADRO CC1CC[NH+](CC(=O)N(CCO)Cc2cc(Br)ccc2F)CC1 ZINC000128677588 654850845 /nfs/dbraw/zinc/85/08/45/654850845.db2.gz DVTRGOUEGPXLRA-UHFFFAOYSA-N 1 0 387.293 2.641 20 0 GFADRO Cc1ccc(Br)cc1S(=O)(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000129177667 654859151 /nfs/dbraw/zinc/85/91/51/654859151.db2.gz OQZAWBQWYRAZAA-HIFRSBDPSA-N 1 0 387.343 2.862 20 0 GFADRO O=S(=O)(Cc1ccon1)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000266144212 654859201 /nfs/dbraw/zinc/85/92/01/654859201.db2.gz IDYOTSFSZSPBTH-UHFFFAOYSA-N 1 0 383.901 2.660 20 0 GFADRO C[N@@H+]1CCC[C@@H]2CN(S(=O)(=O)c3ccc(Br)s3)CC[C@@H]21 ZINC000129178581 654859455 /nfs/dbraw/zinc/85/94/55/654859455.db2.gz GPQIDCKGAMRXFY-MNOVXSKESA-N 1 0 379.345 2.615 20 0 GFADRO Cn1cc([C@@H](O)C[NH2+]Cc2cc(Br)ccc2OC(F)F)cn1 ZINC000266164014 654860150 /nfs/dbraw/zinc/86/01/50/654860150.db2.gz ORAVBWCYTYKAST-LBPRGKRZSA-N 1 0 376.201 2.607 20 0 GFADRO Cc1ccc(-c2ncc(C[NH2+]C3CCN(S(=O)(=O)C4CC4)CC3)s2)o1 ZINC000129231181 654861320 /nfs/dbraw/zinc/86/13/20/654861320.db2.gz YQIJVOPQPSMCQT-UHFFFAOYSA-N 1 0 381.523 2.758 20 0 GFADRO C[C@H]1C[C@H](N(C)S(=O)(=O)c2ccc(Br)c(F)c2)CC[N@@H+]1C ZINC000266218746 654864009 /nfs/dbraw/zinc/86/40/09/654864009.db2.gz RWIAYJQQGULPLV-WDEREUQCSA-N 1 0 379.295 2.691 20 0 GFADRO C[C@H](Cn1cc(Br)cn1)[NH2+]CCc1csc(N2CCCC2)n1 ZINC000129492724 654864396 /nfs/dbraw/zinc/86/43/96/654864396.db2.gz ODPDQAWAAASXLK-GFCCVEGCSA-N 1 0 384.347 2.923 20 0 GFADRO C[C@H]1C[C@@H](N(C)S(=O)(=O)c2ccc(OCC(F)(F)F)cc2)CC[N@@H+]1C ZINC000266263444 654867264 /nfs/dbraw/zinc/86/72/64/654867264.db2.gz ZYYJOGYRZBWLJI-STQMWFEESA-N 1 0 380.432 2.731 20 0 GFADRO C[C@H]([NH2+][C@@H](C)[C@H]1CCOC1)C(=O)Nc1ccc(I)cc1 ZINC000266293872 654869953 /nfs/dbraw/zinc/86/99/53/654869953.db2.gz KOVBWPRSTDVVPV-SRVKXCTJSA-N 1 0 388.249 2.633 20 0 GFADRO O=C(NCCCC[N@H+]1CCC[C@H]1CO)Nc1nnc(-c2ccsc2)s1 ZINC000266440316 654879342 /nfs/dbraw/zinc/87/93/42/654879342.db2.gz OSYYUFIADZCLDM-ZDUSSCGKSA-N 1 0 381.527 2.625 20 0 GFADRO C[C@H](Cn1cc(Br)cn1)[NH2+]C1CCN(C(=O)c2ccco2)CC1 ZINC000130262103 654886270 /nfs/dbraw/zinc/88/62/70/654886270.db2.gz KNQXHRMEGRRLHK-GFCCVEGCSA-N 1 0 381.274 2.522 20 0 GFADRO COc1c(Cl)cc(NC(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)cc1Cl ZINC000066222603 654896934 /nfs/dbraw/zinc/89/69/34/654896934.db2.gz VSFADURIZDCAMV-GFCCVEGCSA-N 1 0 386.279 2.637 20 0 GFADRO Cc1ccc(C(=O)N2CC[NH+](CC3CCOCC3)CC2)cc1Br ZINC000267011324 654904455 /nfs/dbraw/zinc/90/44/55/654904455.db2.gz OPDSXRIEEATDHG-UHFFFAOYSA-N 1 0 381.314 2.942 20 0 GFADRO C[C@H]([NH2+]C1CCN(CC(=O)N(C)C)CC1)c1ccc(Br)c(F)c1 ZINC000131501007 654908600 /nfs/dbraw/zinc/90/86/00/654908600.db2.gz ASLWJVAXCQNIDL-LBPRGKRZSA-N 1 0 386.309 2.791 20 0 GFADRO Cc1nn(Cc2ccccc2Cl)c(Cl)c1CNC[C@@](C)(O)C[NH+](C)C ZINC000131539839 654909731 /nfs/dbraw/zinc/90/97/31/654909731.db2.gz KHIYTQAGRFQGCQ-GOSISDBHSA-N 1 0 385.339 2.949 20 0 GFADRO C[NH+](C)[C@]1(CNC(=O)CCC(=O)CCC(=O)c2cccs2)CCSC1 ZINC000267103670 654911009 /nfs/dbraw/zinc/91/10/09/654911009.db2.gz LNIQBMAIPZIXGN-SFHVURJKSA-N 1 0 382.551 2.614 20 0 GFADRO Cc1c(C(=O)NC[C@@H]2CC[N@@H+](C)C2)cnn1-c1cccc(Br)c1 ZINC000066652196 654911199 /nfs/dbraw/zinc/91/11/99/654911199.db2.gz KAAWSKVPIDXFCN-ZDUSSCGKSA-N 1 0 377.286 2.625 20 0 GFADRO Cc1c(C(=O)NC2CCC([NH3+])CC2)cnn1-c1cccc(Br)c1 ZINC000131771979 654917751 /nfs/dbraw/zinc/91/77/51/654917751.db2.gz UMLMBUYTYQUXFC-UHFFFAOYSA-N 1 0 377.286 2.943 20 0 GFADRO CC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H]2C[NH+]2CCCC2)cc1Cl ZINC000267213146 654917942 /nfs/dbraw/zinc/91/79/42/654917942.db2.gz OTMJYYREAGDTAU-CQSZACIVSA-N 1 0 385.917 2.547 20 0 GFADRO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1ccc(NC(C)=O)c(Cl)c1 ZINC000267258538 654920605 /nfs/dbraw/zinc/92/06/05/654920605.db2.gz WFLKUGIFNYDTGF-UONOGXRCSA-N 1 0 385.917 2.546 20 0 GFADRO NC(=O)c1csc(C[NH2+]CCCNC(=O)c2cccc(Br)c2)c1 ZINC000131961577 654923196 /nfs/dbraw/zinc/92/31/96/654923196.db2.gz GJUHKXYBUPFRHZ-UHFFFAOYSA-N 1 0 396.310 2.519 20 0 GFADRO COc1ccc(C[NH2+][C@H](C)Cn2cc(Br)cn2)cc1NC(C)=O ZINC000131967288 654923454 /nfs/dbraw/zinc/92/34/54/654923454.db2.gz YGOXFIUXAZLWFM-LLVKDONJSA-N 1 0 381.274 2.791 20 0 GFADRO OC[C@]1([NH2+]C[C@H](O)COc2ccc(Br)cc2)CCc2ccccc21 ZINC000132501680 654939232 /nfs/dbraw/zinc/93/92/32/654939232.db2.gz CXPXNRDGYVVKCF-QFBILLFUSA-N 1 0 392.293 2.612 20 0 GFADRO Cc1c(C(=O)NC[C@@H](C)[NH+]2CCCC2)nnn1-c1cccc(Br)c1 ZINC000068064519 654953021 /nfs/dbraw/zinc/95/30/21/654953021.db2.gz FCUCCNDTRTVNJF-GFCCVEGCSA-N 1 0 392.301 2.552 20 0 GFADRO CCS(=O)(=O)N1CCC([NH2+][C@H](C)c2ccc(F)cc2OC(F)F)CC1 ZINC000133205918 654956469 /nfs/dbraw/zinc/95/64/69/654956469.db2.gz ZUQVZWAQLSZKAF-LLVKDONJSA-N 1 0 380.432 2.892 20 0 GFADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)Nc1ccc(Br)c(F)c1 ZINC000133336234 654960803 /nfs/dbraw/zinc/96/08/03/654960803.db2.gz JHFMIVKJROIQKD-OLZOCXBDSA-N 1 0 398.276 2.612 20 0 GFADRO C[NH+](C)[C@H]1CCCN(C(=O)c2ccc(F)cc2I)C1 ZINC000068486992 654963943 /nfs/dbraw/zinc/96/39/43/654963943.db2.gz OHRZLLVNEATPGL-NSHDSACASA-N 1 0 376.213 2.597 20 0 GFADRO CC[N@H+](CCCS(N)(=O)=O)[C@@H]1CCSc2ccc(Br)cc21 ZINC000068826440 654968730 /nfs/dbraw/zinc/96/87/30/654968730.db2.gz DZPJABDPDMGLDB-CYBMUJFWSA-N 1 0 393.372 2.987 20 0 GFADRO O=S(=O)(CC[NH2+]Cc1ccc(Br)s1)NCc1ccccc1 ZINC000069065133 654972335 /nfs/dbraw/zinc/97/23/35/654972335.db2.gz NWZHTNGMTPXOAQ-UHFFFAOYSA-N 1 0 389.340 2.720 20 0 GFADRO C[C@@H]1C[N@@H+](CCCNC(=O)NCc2cccc(Br)c2)C[C@H](C)O1 ZINC000069104546 654973061 /nfs/dbraw/zinc/97/30/61/654973061.db2.gz KLQFZXWHEKWUFF-OKILXGFUSA-N 1 0 384.318 2.748 20 0 GFADRO CCC(CC)(CC(=O)OC)[NH2+]Cc1nnnn1-c1ccccc1Br ZINC000268487555 654974323 /nfs/dbraw/zinc/97/43/23/654974323.db2.gz QMQUKGQVULKBDW-UHFFFAOYSA-N 1 0 396.289 2.636 20 0 GFADRO C[C@H]([NH2+]Cc1ccc(S(=O)(=O)N(C)C)cc1)c1ccc([S@@](C)=O)cc1 ZINC000133853608 654975347 /nfs/dbraw/zinc/97/53/47/654975347.db2.gz VDDVHQQZZMMBIW-BSEYFRJRSA-N 1 0 380.535 2.525 20 0 GFADRO CN(C(=O)c1c[nH]c(=O)c(Br)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000268649275 654981240 /nfs/dbraw/zinc/98/12/40/654981240.db2.gz DCSNGMJZCHGHCF-OAHLLOKOSA-N 1 0 390.281 2.896 20 0 GFADRO CC[C@](C)(CC(=O)OC)[NH2+]CC(=O)Nc1ccc(Br)cc1F ZINC000134108041 654983041 /nfs/dbraw/zinc/98/30/41/654983041.db2.gz MPHSZNSVBYJOME-OAHLLOKOSA-N 1 0 375.238 2.848 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)Nc1cccc(CS(C)(=O)=O)c1)c1cccs1 ZINC000069787731 654986447 /nfs/dbraw/zinc/98/64/47/654986447.db2.gz BROXGOWDEJPFQR-OAHLLOKOSA-N 1 0 381.523 2.717 20 0 GFADRO C[C@@H]([NH2+]C1CCN(CC(F)(F)F)CC1)c1ccc(NS(C)(=O)=O)cc1 ZINC000268796059 654986764 /nfs/dbraw/zinc/98/67/64/654986764.db2.gz BSFYOCVFDQJJNB-GFCCVEGCSA-N 1 0 379.448 2.735 20 0 GFADRO O=C(CN1CCC[C@@H](C[NH+]2CCOCC2)C1)Nc1cc(Cl)ccc1Cl ZINC000069856038 654987429 /nfs/dbraw/zinc/98/74/29/654987429.db2.gz JNNWOSWICXJBAJ-AWEZNQCLSA-N 1 0 386.323 2.976 20 0 GFADRO Brc1cccc(OCC[N@@H+]2CCC[C@@H](CN3CCOCC3)C2)c1 ZINC000069857082 654987444 /nfs/dbraw/zinc/98/74/44/654987444.db2.gz DPVJSSDTHFBVJY-MRXNPFEDSA-N 1 0 383.330 2.872 20 0 GFADRO COC[C@@](C)(O)C[NH2+]Cc1cc(Br)c(OC(F)F)c(OC)c1 ZINC000069912033 654988903 /nfs/dbraw/zinc/98/89/03/654988903.db2.gz YJLHYKNBJAKDBB-AWEZNQCLSA-N 1 0 384.217 2.546 20 0 GFADRO COCCC[C@H](NC[C@H](O)C[NH+]1CCCC1)c1ccc(Br)cc1 ZINC000268881029 654990086 /nfs/dbraw/zinc/99/00/86/654990086.db2.gz XSTSUGZDHZATGR-ROUUACIJSA-N 1 0 385.346 2.963 20 0 GFADRO CC1(C)NC(=O)N(CCC[NH2+][C@@H]2CCOc3c(Br)cccc32)C1=O ZINC000268928033 654991625 /nfs/dbraw/zinc/99/16/25/654991625.db2.gz YRKNHSYUKHWWES-CYBMUJFWSA-N 1 0 396.285 2.583 20 0 GFADRO O=S(=O)(Cc1ccccc1Cl)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000268993373 654994371 /nfs/dbraw/zinc/99/43/71/654994371.db2.gz VPMZINXBDMDTPH-QZTJIDSGSA-N 1 0 386.945 2.527 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)C(=O)NC[C@H](CC(C)C)[NH+](C)C ZINC000070896796 654996708 /nfs/dbraw/zinc/99/67/08/654996708.db2.gz OPKVLSOPZYYVNT-AWEZNQCLSA-N 1 0 384.318 2.789 20 0 GFADRO CN(C)c1ncc(Br)cc1C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000071027911 654998352 /nfs/dbraw/zinc/99/83/52/654998352.db2.gz MEUIOBZLFSLNCT-UHFFFAOYSA-N 1 0 387.241 2.743 20 0 GFADRO C[NH2+][C@@H]1CCN(C(=O)Cc2csc(-c3cc(Br)cs3)n2)C1 ZINC000269127179 654998891 /nfs/dbraw/zinc/99/88/91/654998891.db2.gz MRVRSGGIJYQREI-SNVBAGLBSA-N 1 0 386.340 2.997 20 0 GFADRO C[NH+](C)CCOc1ccc(NC(=O)C(=O)NCc2ccc(Cl)s2)cc1 ZINC000071069328 654999038 /nfs/dbraw/zinc/99/90/38/654999038.db2.gz GGSKBINORVEXIA-UHFFFAOYSA-N 1 0 381.885 2.597 20 0 GFADRO CN1CC[NH+](CC2(C)CCN(C(=O)NC[C@@]3(C)CC3(Cl)Cl)CC2)CC1 ZINC000838664330 661052428 /nfs/dbraw/zinc/05/24/28/661052428.db2.gz RVQDWQWPHCXLKJ-QGZVFWFLSA-N 1 0 391.387 2.629 20 0 GFADRO C[N@@H+]1CC[C@@H](CNC(=O)[C@@H](c2ccc(Br)cc2)N2CCCC2)C1 ZINC000134694608 655001343 /nfs/dbraw/zinc/00/13/43/655001343.db2.gz GJKITCFWCGSSRH-WMLDXEAASA-N 1 0 380.330 2.654 20 0 GFADRO C[C@@H](NC(=O)c1cnn(-c2ccc(Br)cc2)c1)[C@@H]1CCC[NH2+]C1 ZINC000269229329 655002336 /nfs/dbraw/zinc/00/23/36/655002336.db2.gz VMTNLWDYSDJJKB-CHWSQXEVSA-N 1 0 377.286 2.753 20 0 GFADRO COc1ccc(NC(=O)c2nnn(C3CC[NH2+]CC3)c2C)cc1Br ZINC000269234875 655002381 /nfs/dbraw/zinc/00/23/81/655002381.db2.gz SXRIPKUFYIYHNT-UHFFFAOYSA-N 1 0 394.273 2.534 20 0 GFADRO [NH3+][C@@H](CC(=O)NCc1cc(Br)c2c(c1)OCCO2)c1ccccc1 ZINC000269489277 655011172 /nfs/dbraw/zinc/01/11/72/655011172.db2.gz IGTSXQDBAYQZSX-HNNXBMFYSA-N 1 0 391.265 2.927 20 0 GFADRO Cn1cc(C[N@H+](Cc2ccccc2Br)C(C)(C)C)c(=O)n(C)c1=O ZINC000092076562 655011458 /nfs/dbraw/zinc/01/14/58/655011458.db2.gz DSEXIDLTUYUBGX-UHFFFAOYSA-N 1 0 394.313 2.647 20 0 GFADRO O=C1NCCN1[C@H]1CCC[N@@H+](CC2=Cc3cc(Br)ccc3OC2)C1 ZINC000092189023 655012689 /nfs/dbraw/zinc/01/26/89/655012689.db2.gz WARIUXLDJNWVLJ-INIZCTEOSA-N 1 0 392.297 2.715 20 0 GFADRO NC(=O)C1CCC([NH2+]Cc2ncc(Br)cc2Br)CC1 ZINC000135292564 655013548 /nfs/dbraw/zinc/01/35/48/655013548.db2.gz AVNKKDAZUNYHTJ-UHFFFAOYSA-N 1 0 391.107 2.740 20 0 GFADRO CN(C)c1ncc(C[NH+]2CCC(C(=O)NCCc3cccs3)CC2)s1 ZINC000092644525 655014911 /nfs/dbraw/zinc/01/49/11/655014911.db2.gz DFOCMUORCKFTJG-UHFFFAOYSA-N 1 0 378.567 2.842 20 0 GFADRO CC(C)[NH+]1CCC(N2CCN(Cc3cncc(Br)c3)CC2)CC1 ZINC000269701618 655017808 /nfs/dbraw/zinc/01/78/08/655017808.db2.gz YJYRLPXWMNGOIO-UHFFFAOYSA-N 1 0 381.362 2.835 20 0 GFADRO CC[N@H+](CC(=O)NCc1nnc2c(Cl)cc(C(F)(F)F)cn12)C1CC1 ZINC000269720071 655018503 /nfs/dbraw/zinc/01/85/03/655018503.db2.gz XECBYEJJNLYNAN-UHFFFAOYSA-N 1 0 375.782 2.502 20 0 GFADRO OC[C@H](C[C@H](O)c1ccccc1)[NH2+]Cc1cc2c(cc1Br)OCO2 ZINC000269911312 655026893 /nfs/dbraw/zinc/02/68/93/655026893.db2.gz IKFFQKBKONLWLI-HOCLYGCPSA-N 1 0 394.265 2.752 20 0 GFADRO Cc1ccc(C(=O)N2CCN(CC[NH+]3CCCC3)CC2)c(Br)c1 ZINC000269942636 655028274 /nfs/dbraw/zinc/02/82/74/655028274.db2.gz FSRRJXNQUZZOCY-UHFFFAOYSA-N 1 0 380.330 2.611 20 0 GFADRO Cc1ccc(Br)cc1C(=O)Nc1ccc(=O)n(CC[NH+](C)C)c1 ZINC000270050022 655032674 /nfs/dbraw/zinc/03/26/74/655032674.db2.gz CGTWOIPTNPUMFB-UHFFFAOYSA-N 1 0 378.270 2.733 20 0 GFADRO O=C(Cc1cccc(Br)c1)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000136879559 655036607 /nfs/dbraw/zinc/03/66/07/655036607.db2.gz JKDUTIGKFSLJFS-OAHLLOKOSA-N 1 0 381.314 2.609 20 0 GFADRO COc1ccc(C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)c(Br)c1 ZINC000136944968 655037081 /nfs/dbraw/zinc/03/70/81/655037081.db2.gz XPTKNWQNONEJSD-ZDUSSCGKSA-N 1 0 397.313 2.688 20 0 GFADRO O=C(Nc1ccc(Br)cn1)C1CCN(CC[NH+]2CCCCC2)CC1 ZINC000097727508 655038225 /nfs/dbraw/zinc/03/82/25/655038225.db2.gz JSOJVISOTWECHR-UHFFFAOYSA-N 1 0 395.345 2.981 20 0 GFADRO Cc1cc(C(=O)N(C)CC[N@H+](C)C2CCN(C)CC2)ccc1Br ZINC000270236287 655038349 /nfs/dbraw/zinc/03/83/49/655038349.db2.gz RLPQOHRBEKIAMD-UHFFFAOYSA-N 1 0 382.346 2.856 20 0 GFADRO C[NH+]1CCC([C@H]2CCN(C(=O)c3cc4c(c(Br)c3)OCO4)C2)CC1 ZINC000270288855 655039981 /nfs/dbraw/zinc/03/99/81/655039981.db2.gz WQABJFPWCXXDFQ-ZDUSSCGKSA-N 1 0 395.297 2.982 20 0 GFADRO C[NH+]1CCC([C@@H]2CCN(C(=O)c3ccc(Cl)c(S(C)(=O)=O)c3)C2)CC1 ZINC000270297632 655040233 /nfs/dbraw/zinc/04/02/33/655040233.db2.gz XXYCHGAPNZYIBN-OAHLLOKOSA-N 1 0 384.929 2.547 20 0 GFADRO C[NH+](C)CCn1cc(NC(=O)Nc2ccccc2I)cn1 ZINC000139144111 655043984 /nfs/dbraw/zinc/04/39/84/655043984.db2.gz XZKURYUSADTLBI-UHFFFAOYSA-N 1 0 399.236 2.693 20 0 GFADRO O=S(=O)(Cc1ccc(Cl)nc1)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000101571483 655044281 /nfs/dbraw/zinc/04/42/81/655044281.db2.gz UISIJDOEDMVODQ-QGZVFWFLSA-N 1 0 379.913 2.819 20 0 GFADRO C[C@H](Cn1ccnc1)NC(=O)N1CCO[C@H](c2ccccc2Br)C1 ZINC000101761345 655047177 /nfs/dbraw/zinc/04/71/77/655047177.db2.gz LEJPYKZTRNWKCR-CJNGLKHVSA-N 1 0 393.285 2.817 20 0 GFADRO CSCC[C@@H]1NC(=S)N(C[C@]2(C)CCC[N@@H+]2Cc2ccccc2)C1=O ZINC000153504235 655067606 /nfs/dbraw/zinc/06/76/06/655067606.db2.gz GNOSZOKBWCYUES-LPHOPBHVSA-N 1 0 377.579 2.880 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CNC(=O)[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000154334819 655075220 /nfs/dbraw/zinc/07/52/20/655075220.db2.gz NMXPYAWIGAJRTF-KGLIPLIRSA-N 1 0 382.302 2.720 20 0 GFADRO O=C(c1nccn2c(Br)cnc12)N1CC[NH+](C2CCCCC2)CC1 ZINC000271374142 655078350 /nfs/dbraw/zinc/07/83/50/655078350.db2.gz ZOYAGAFTBUJFJG-UHFFFAOYSA-N 1 0 392.301 2.582 20 0 GFADRO O=C1NC(=O)C2(CC[NH+]([C@H]3CCCc4ccc(Br)cc43)CC2)N1 ZINC000271395119 655079467 /nfs/dbraw/zinc/07/94/67/655079467.db2.gz MMMKFDGYVKZEPG-AWEZNQCLSA-N 1 0 378.270 2.501 20 0 GFADRO O=C(NC1CC[NH+](C2CC2)CC1)c1ccc(I)c(F)c1 ZINC000104223192 655079664 /nfs/dbraw/zinc/07/96/64/655079664.db2.gz WCXHFUADBQNGGU-UHFFFAOYSA-N 1 0 388.224 2.787 20 0 GFADRO C[C@H](CC[S@@](C)=O)[NH2+][C@@H](C)CC(=O)Nc1ccc(Br)cc1 ZINC000271541492 655084885 /nfs/dbraw/zinc/08/48/85/655084885.db2.gz UJUMCCCTUVTHNP-SMDDFHAHSA-N 1 0 375.332 2.913 20 0 GFADRO C[C@H](CNC(=O)NCCC(=O)Nc1ccc(Br)cc1)[N@H+](C)C1CC1 ZINC000105169640 655089306 /nfs/dbraw/zinc/08/93/06/655089306.db2.gz HTIIYFOLLZWCJT-GFCCVEGCSA-N 1 0 397.317 2.560 20 0 GFADRO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)NCc1ccccc1Br ZINC000105204019 655089543 /nfs/dbraw/zinc/08/95/43/655089543.db2.gz OPNYARCJXZGASE-UHFFFAOYSA-N 1 0 397.361 2.617 20 0 GFADRO O=C(CNC(=O)c1ccc(Br)cc1)NNc1cc[nH+]c2ccccc12 ZINC000156468641 655093136 /nfs/dbraw/zinc/09/31/36/655093136.db2.gz RNKWEECZQRAZJF-UHFFFAOYSA-N 1 0 399.248 2.870 20 0 GFADRO COc1ccc(Br)c(C(=O)NCCC[NH2+][C@H]2CCO[C@@H](C)C2)c1 ZINC000271762594 655093915 /nfs/dbraw/zinc/09/39/15/655093915.db2.gz SVTACJYRVMXMFU-STQMWFEESA-N 1 0 385.302 2.735 20 0 GFADRO CCCCc1nnc(NC(=O)C[NH2+][C@H](C)c2ccc([S@](C)=O)cc2)s1 ZINC000271772653 655094178 /nfs/dbraw/zinc/09/41/78/655094178.db2.gz FNLUCHLMIRWTAK-YDBLSZJJSA-N 1 0 380.539 2.907 20 0 GFADRO CS(=O)(=O)C[C@@H]([NH2+]C[C@@H](O)c1ccc(Br)cc1)c1ccccc1 ZINC000271780469 655094497 /nfs/dbraw/zinc/09/44/97/655094497.db2.gz KUKVZRLCZWXTFR-IAGOWNOFSA-N 1 0 398.322 2.858 20 0 GFADRO CN(CCCN1CC[NH+](C)CC1)C(=O)C[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000271832836 655096321 /nfs/dbraw/zinc/09/63/21/655096321.db2.gz SGYVQVKNOURZOH-KRWDZBQOSA-N 1 0 388.339 2.513 20 0 GFADRO CC(C)[NH+]1CCC(O)(CNC(=O)C[C@H](O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000271868312 655097190 /nfs/dbraw/zinc/09/71/90/655097190.db2.gz ZDVDJEUINOGGSP-INIZCTEOSA-N 1 0 389.323 2.768 20 0 GFADRO O=S1(=O)CC[C@@]2(C1)C[C@@H]([NH2+]Cc1ccc(Cl)c3cccnc13)CCO2 ZINC000271976623 655099784 /nfs/dbraw/zinc/09/97/84/655099784.db2.gz IRQIITPBCSKDKD-KSSFIOAISA-N 1 0 380.897 2.714 20 0 GFADRO CCCCN(C(=O)C[NH2+][C@H](C)c1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000271986645 655100211 /nfs/dbraw/zinc/10/02/11/655100211.db2.gz CPOQRWYAZSTRQC-PBHICJAKSA-N 1 0 386.945 2.806 20 0 GFADRO C[N@H+]1CC=C(CNC(=O)[C@@H](c2ccc(Br)cc2)N2CCCC2)CC1 ZINC000271993185 655100391 /nfs/dbraw/zinc/10/03/91/655100391.db2.gz QDUDGHHKFATWEU-GOSISDBHSA-N 1 0 392.341 2.964 20 0 GFADRO CC(C)[C@@H](C(=O)N1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1)[NH+](C)C ZINC000106430717 655108749 /nfs/dbraw/zinc/10/87/49/655108749.db2.gz NMCGIEDQAUNJSD-INIZCTEOSA-N 1 0 386.323 2.864 20 0 GFADRO C[C@@H](CNC(=O)c1cnn(-c2cccc(Br)c2)c1)[N@H+](C)C1CC1 ZINC000106769834 655111068 /nfs/dbraw/zinc/11/10/68/655111068.db2.gz HPJKZXCTZVKXLG-LBPRGKRZSA-N 1 0 377.286 2.847 20 0 GFADRO CC[NH+]1CCN([C@H]2CCN(C(=O)CSCc3cccc(Cl)c3)C2)CC1 ZINC000106800685 655111551 /nfs/dbraw/zinc/11/15/51/655111551.db2.gz XRICWHCSSDWXEA-SFHVURJKSA-N 1 0 381.973 2.812 20 0 GFADRO Cc1ccc(C[NH+]2CCC(CNC(=O)CSc3nncs3)CC2)cc1 ZINC000106828094 655111778 /nfs/dbraw/zinc/11/17/78/655111778.db2.gz VZGBBOXODCZYAN-UHFFFAOYSA-N 1 0 376.551 2.967 20 0 GFADRO CC(C)[C@@H](C(=O)NCCc1ccc(I)s1)[NH+](C)C ZINC000106915707 655114742 /nfs/dbraw/zinc/11/47/42/655114742.db2.gz QQDLHGDQDHBFIY-LBPRGKRZSA-N 1 0 380.295 2.598 20 0 GFADRO CC[NH+]1CCN([C@H]2CCN(C(=O)Nc3ccccc3Br)C2)CC1 ZINC000106937340 655115550 /nfs/dbraw/zinc/11/55/50/655115550.db2.gz JDFLWPKWSBRIFD-AWEZNQCLSA-N 1 0 381.318 2.693 20 0 GFADRO O=C(Nc1ccc(Br)cc1)C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000106963241 655115848 /nfs/dbraw/zinc/11/58/48/655115848.db2.gz QEYVOEOFJWKQMH-AWEZNQCLSA-N 1 0 380.286 2.521 20 0 GFADRO CC(C)(O)C[NH+]1CCN(Cn2ccc(-c3ccc(Br)cc3)n2)CC1 ZINC000160431383 655121708 /nfs/dbraw/zinc/12/17/08/655121708.db2.gz DDACWSUMLKLFDB-UHFFFAOYSA-N 1 0 393.329 2.659 20 0 GFADRO Cc1c([C@H](C)[NH2+]CC(C)(C)C(N)=O)nnn1-c1cccc(Br)c1 ZINC000272910669 655125167 /nfs/dbraw/zinc/12/51/67/655125167.db2.gz WNZOGNZXPWKTAB-JTQLQIEISA-N 1 0 380.290 2.500 20 0 GFADRO O=C(Nc1ccc(Br)cc1)C(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000107873194 655125606 /nfs/dbraw/zinc/12/56/06/655125606.db2.gz OPSMHLJAQRQFRW-MRXNPFEDSA-N 1 0 394.313 2.865 20 0 GFADRO Cc1nn(-c2ccc(C(=O)NC[C@H]3CC[NH2+]C3)cc2)c(C)c1Br ZINC000273030916 655128047 /nfs/dbraw/zinc/12/80/47/655128047.db2.gz MRNBXJAPRKTURO-ZDUSSCGKSA-N 1 0 377.286 2.591 20 0 GFADRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)CN1C(=S)N=NC1c1ccc(Cl)cc1 ZINC000161950964 655129302 /nfs/dbraw/zinc/12/93/02/655129302.db2.gz OFAVDOKPJBLLIZ-AWEZNQCLSA-N 1 0 381.933 2.719 20 0 GFADRO C[N@@H+]1CCC[C@@H](CNC(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)C1 ZINC000108588078 655135024 /nfs/dbraw/zinc/13/50/24/655135024.db2.gz VEMSAXUJOYBRDA-ZDUSSCGKSA-N 1 0 386.327 2.562 20 0 GFADRO Cn1ncc(C(=O)NCC2CC[NH+](Cc3cccs3)CC2)c1Br ZINC000273247848 655136355 /nfs/dbraw/zinc/13/63/55/655136355.db2.gz REYPRNTVSPQRJH-UHFFFAOYSA-N 1 0 397.342 2.886 20 0 GFADRO O=c1cc(C[N@H+]2CCC[C@@H]2Cc2ccc(Br)cc2)[nH]c2ccnn21 ZINC000108856939 655138534 /nfs/dbraw/zinc/13/85/34/655138534.db2.gz NUQWOPJZXTWYQM-MRXNPFEDSA-N 1 0 387.281 2.992 20 0 GFADRO COc1ccc([C@H](CNc2ncc(Br)cn2)[NH+](C)C)cc1OC ZINC000109128869 655142312 /nfs/dbraw/zinc/14/23/12/655142312.db2.gz MUWOJMLPQNOOBC-ZDUSSCGKSA-N 1 0 381.274 2.971 20 0 GFADRO C[C@@H](CNC(=O)C(=O)Nc1cc(Cl)c(N)c(Cl)c1)[N@@H+]1CCCC[C@H]1C ZINC000839459142 661085294 /nfs/dbraw/zinc/08/52/94/661085294.db2.gz KUOARMAQSHSNOC-MNOVXSKESA-N 1 0 387.311 2.893 20 0 GFADRO C[C@H](CNS(=O)(=O)c1ccccc1OC(F)(F)F)[NH+]1CCC(C)CC1 ZINC000109390749 655146294 /nfs/dbraw/zinc/14/62/94/655146294.db2.gz XBHWPRNQKFBPSJ-CYBMUJFWSA-N 1 0 380.432 2.984 20 0 GFADRO CC(=O)Nc1ccc(S(=O)(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)cc1Cl ZINC000273550816 655147672 /nfs/dbraw/zinc/14/76/72/655147672.db2.gz VXFQAXDUJMNCQR-LBPRGKRZSA-N 1 0 387.933 2.649 20 0 GFADRO C[C@H](CNC(=O)c1ccc(Cl)c(NS(C)(=O)=O)c1)C[NH+]1CCCCC1 ZINC000109509691 655147599 /nfs/dbraw/zinc/14/75/99/655147599.db2.gz UHGNORCAPNQEFL-CYBMUJFWSA-N 1 0 387.933 2.563 20 0 GFADRO COCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](Cc2sc(C)nc2C(F)(F)F)C1 ZINC000273636242 655152061 /nfs/dbraw/zinc/15/20/61/655152061.db2.gz SYCUFKWLJFMVHM-PWSUYJOCSA-N 1 0 379.448 2.833 20 0 GFADRO CC1CC[NH+](CCNS(=O)(=O)c2cc(Br)ccc2F)CC1 ZINC000109817732 655152593 /nfs/dbraw/zinc/15/25/93/655152593.db2.gz STFDSCJSLHRJRK-UHFFFAOYSA-N 1 0 379.295 2.598 20 0 GFADRO C[C@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1cc(Br)ccc1F ZINC000109817971 655152607 /nfs/dbraw/zinc/15/26/07/655152607.db2.gz DFNSUMCFUNVSOL-NSHDSACASA-N 1 0 379.295 2.741 20 0 GFADRO C[NH+]1CCC(C)(CNC(=O)Nc2ccncc2I)CC1 ZINC000273678803 655153861 /nfs/dbraw/zinc/15/38/61/655153861.db2.gz FNOFXXPNEAHMKH-UHFFFAOYSA-N 1 0 388.253 2.540 20 0 GFADRO CCc1c(C(=O)NC[C@H]2CC[N@H+](C)C2)cnn1-c1ccc(Br)cc1 ZINC000110650499 655158264 /nfs/dbraw/zinc/15/82/64/655158264.db2.gz XUEMJWMAXYOMDF-CYBMUJFWSA-N 1 0 391.313 2.879 20 0 GFADRO COc1ccc(S(=O)(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1Br ZINC000173277404 655166837 /nfs/dbraw/zinc/16/68/37/655166837.db2.gz RZTQCJTWNVYUEG-NWDGAFQWSA-N 1 0 391.331 2.561 20 0 GFADRO O=C1CCCN1[C@H]1CCC[N@@H+](C[C@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000111293073 655167863 /nfs/dbraw/zinc/16/78/63/655167863.db2.gz NWHDSLQAVMGTOJ-KBPBESRZSA-N 1 0 387.307 2.820 20 0 GFADRO CC1CC[NH+](CCNS(=O)(=O)Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000111328933 655168924 /nfs/dbraw/zinc/16/89/24/655168924.db2.gz VHWKNXRIQSFHEV-UHFFFAOYSA-N 1 0 380.432 2.737 20 0 GFADRO Cn1cc(N2CC[C@H]([NH2+][C@H]3CCc4cc(Br)ccc43)C2=O)cn1 ZINC000111372954 655171988 /nfs/dbraw/zinc/17/19/88/655171988.db2.gz BMWYRZMIUPAWHK-HOTGVXAUSA-N 1 0 375.270 2.565 20 0 GFADRO C[N@H+](CCO)C1CCN(C(=O)Nc2cc(F)c(Br)c(F)c2)CC1 ZINC000274103345 655173078 /nfs/dbraw/zinc/17/30/78/655173078.db2.gz YNLXBDKQRPYNMQ-UHFFFAOYSA-N 1 0 392.244 2.648 20 0 GFADRO C[C@H]1CCCC[N@@H+]1CCNC(=O)COc1ccc(C=O)cc1Br ZINC000173508211 655173722 /nfs/dbraw/zinc/17/37/22/655173722.db2.gz LNUMPNVKMZHVIZ-ZDUSSCGKSA-N 1 0 383.286 2.631 20 0 GFADRO COCCOC[C@@H]1CC[N@H+](CC(=O)Nc2ccc(Br)cc2C)C1 ZINC000173731272 655178124 /nfs/dbraw/zinc/17/81/24/655178124.db2.gz VPOSSHPYTMMSKS-CQSZACIVSA-N 1 0 385.302 2.681 20 0 GFADRO C[N@@H+]1CCC[C@H](CNC(=O)N[C@@H]2CCN(c3ccccc3Br)C2)C1 ZINC000111862752 655178208 /nfs/dbraw/zinc/17/82/08/655178208.db2.gz JUAGBBSGJPUXSO-HUUCEWRRSA-N 1 0 395.345 2.669 20 0 GFADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)NCc1ccc(Br)cc1C ZINC000111865547 655178280 /nfs/dbraw/zinc/17/82/80/655178280.db2.gz TXQLVMLBVPQQLF-INIZCTEOSA-N 1 0 384.318 2.668 20 0 GFADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)N(C)Cc1csc(Br)c1 ZINC000111866920 655178534 /nfs/dbraw/zinc/17/85/34/655178534.db2.gz DLLDIZDRENFVJO-CYBMUJFWSA-N 1 0 390.347 2.763 20 0 GFADRO O=C(c1cc(-c2ccc(Br)cc2)n[nH]1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000274208347 655179416 /nfs/dbraw/zinc/17/94/16/655179416.db2.gz VYWIKJQGBKLGLY-KRWDZBQOSA-N 1 0 375.270 2.665 20 0 GFADRO CC[NH+](CC)C[C@@H]1CCN(S(=O)(=O)c2ccc(F)cc2Br)C1 ZINC000173919433 655185632 /nfs/dbraw/zinc/18/56/32/655185632.db2.gz NWKVIOQESKVSPZ-LBPRGKRZSA-N 1 0 393.322 2.941 20 0 GFADRO COCCOCCOCCC[NH2+]Cc1ccc(OC)c(Br)c1 ZINC000274370678 655186196 /nfs/dbraw/zinc/18/61/96/655186196.db2.gz GKKLCFGOKCYSHZ-UHFFFAOYSA-N 1 0 376.291 2.617 20 0 GFADRO COC[C@H](C[NH2+]Cc1cc(Br)cc(Br)c1N)OC ZINC000274389623 655186652 /nfs/dbraw/zinc/18/66/52/655186652.db2.gz CSIUPVSVAPXBDW-JTQLQIEISA-N 1 0 382.096 2.545 20 0 GFADRO CCCC[N@H+](C)CCNC(=O)CSc1nncn1-c1cccc(Cl)c1 ZINC000112309733 655188400 /nfs/dbraw/zinc/18/84/00/655188400.db2.gz WXRSAKZTSKBIMO-UHFFFAOYSA-N 1 0 381.933 2.861 20 0 GFADRO Cc1nc2n(n1)C[C@@H]([NH2+]Cc1nc(-c3ccc(Br)cc3)c[nH]1)CC2 ZINC000112373541 655190383 /nfs/dbraw/zinc/19/03/83/655190383.db2.gz GTWRYXNQBVDZPC-AWEZNQCLSA-N 1 0 387.285 2.844 20 0 GFADRO CC(C)[NH+](CCNC(=O)C(=O)Nc1ccc(F)c(Br)c1)C(C)C ZINC000174562754 655203440 /nfs/dbraw/zinc/20/34/40/655203440.db2.gz WGJJUBGYVSNIAR-UHFFFAOYSA-N 1 0 388.281 2.762 20 0 GFADRO C[C@](O)(CNC(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)C(F)(F)F ZINC000274926024 655207412 /nfs/dbraw/zinc/20/74/12/655207412.db2.gz KFVUNAMPGLJRML-WFASDCNBSA-N 1 0 379.448 2.573 20 0 GFADRO COc1ccc(OC)c(C[NH2+]CCNC(=O)c2cccc(Br)c2)c1 ZINC000113354417 655208258 /nfs/dbraw/zinc/20/82/58/655208258.db2.gz IJHQOCLKSBKGBU-UHFFFAOYSA-N 1 0 393.281 2.986 20 0 GFADRO COc1cccc(C[NH2+]CCNC(=O)c2cccc(Br)c2)c1OC ZINC000113354568 655208495 /nfs/dbraw/zinc/20/84/95/655208495.db2.gz QNTIFCMWSDQYFS-UHFFFAOYSA-N 1 0 393.281 2.986 20 0 GFADRO COc1ccc(C[NH2+]CCNC(=O)c2cccc(Br)c2)c(OC)c1 ZINC000113354505 655208510 /nfs/dbraw/zinc/20/85/10/655208510.db2.gz HRRCTWJJYLNOCH-UHFFFAOYSA-N 1 0 393.281 2.986 20 0 GFADRO C[C@H](CNC(=O)c1csc(I)c1)[NH+]1CCCCC1 ZINC000113426041 655210452 /nfs/dbraw/zinc/21/04/52/655210452.db2.gz MOSZQTWQKBPSPO-SNVBAGLBSA-N 1 0 378.279 2.957 20 0 GFADRO CC(C)(C)OC(=O)CS(=O)(=O)CC[NH2+]C(C)(C)c1ccc(Cl)cc1 ZINC000839513416 661089214 /nfs/dbraw/zinc/08/92/14/661089214.db2.gz YIWYIRRZTXYBNT-UHFFFAOYSA-N 1 0 375.918 2.921 20 0 GFADRO COC(=O)CC[N@H+](CC(=O)Nc1ccc(Br)cc1F)C(C)C ZINC000114197448 655218167 /nfs/dbraw/zinc/21/81/67/655218167.db2.gz YTOKVYISOMNEGY-UHFFFAOYSA-N 1 0 375.238 2.800 20 0 GFADRO CNC(=O)C1([NH2+]CCC(=O)Nc2ccc(Br)cc2F)CCCC1 ZINC000839517926 661089580 /nfs/dbraw/zinc/08/95/80/661089580.db2.gz WJLXXDXBYKVBCT-UHFFFAOYSA-N 1 0 386.265 2.565 20 0 GFADRO C[C@@H](CNC(=O)NC[C@H]1CC[N@@H+](C2CC2)C1)Oc1ccccc1Br ZINC000175628055 655224267 /nfs/dbraw/zinc/22/42/67/655224267.db2.gz ZGCKJOUHGFXXNW-UONOGXRCSA-N 1 0 396.329 3.000 20 0 GFADRO C[C@H](C(=O)N1CC[NH+](C2CCOCC2)CC1)c1ccc(Br)s1 ZINC000175838173 655227964 /nfs/dbraw/zinc/22/79/64/655227964.db2.gz LEKOTEVZQXNMRN-LBPRGKRZSA-N 1 0 387.343 2.937 20 0 GFADRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(Br)cn2)[C@H](C)C1 ZINC000115272772 655233726 /nfs/dbraw/zinc/23/37/26/655233726.db2.gz LPOIUBPMRIEGQV-UKRRQHHQSA-N 1 0 384.318 2.711 20 0 GFADRO CC[N@@H+]1CCC[C@H](NC(=O)c2cc(=O)[nH]c3c(Br)cccc23)C1 ZINC000176267077 655242817 /nfs/dbraw/zinc/24/28/17/655242817.db2.gz YHBNJEKQDGITGC-NSHDSACASA-N 1 0 378.270 2.505 20 0 GFADRO C[NH+](C)CC[C@@H](NC(=O)c1ccc(S(=O)(=O)C(F)F)cc1)C(C)(C)C ZINC000116126707 655244348 /nfs/dbraw/zinc/24/43/48/655244348.db2.gz NGKWSMFWSHGTRJ-CQSZACIVSA-N 1 0 376.469 2.779 20 0 GFADRO C[C@](O)(CNC(=O)C1CC[NH+]([C@H]2CCSC2)CC1)c1ccccc1Cl ZINC000839724598 661102674 /nfs/dbraw/zinc/10/26/74/661102674.db2.gz JFTQWGAWKAFCNL-KXBFYZLASA-N 1 0 382.957 2.881 20 0 GFADRO C[C@@H]1CCC[N@@H+]1CCNC(=O)c1cn(Cc2ccc(Cl)cc2Cl)nn1 ZINC000839728067 661103139 /nfs/dbraw/zinc/10/31/39/661103139.db2.gz IVGBOJBRJYYINL-GFCCVEGCSA-N 1 0 382.295 2.847 20 0 GFADRO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)c1ccc(Br)cn1 ZINC000116249311 655246866 /nfs/dbraw/zinc/24/68/66/655246866.db2.gz NFGQNOISWMJLDE-CJNGLKHVSA-N 1 0 389.297 2.880 20 0 GFADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N1CCc2cc(Cl)cc(Cl)c2C1 ZINC000176501639 655248029 /nfs/dbraw/zinc/24/80/29/655248029.db2.gz QTOAJWWVQFCMBS-ZDUSSCGKSA-N 1 0 385.339 2.697 20 0 GFADRO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)c1cc(Br)cn1C ZINC000116468744 655248427 /nfs/dbraw/zinc/24/84/27/655248427.db2.gz LHFKGPQSRJQMQF-CJNGLKHVSA-N 1 0 391.313 2.823 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)N[C@@H](C)C1=CC[N@H+](C)CC1 ZINC000275965729 655256792 /nfs/dbraw/zinc/25/67/92/655256792.db2.gz CTRRBPHGLFLPLD-ZDUSSCGKSA-N 1 0 394.313 2.771 20 0 GFADRO CC(C)(C)[S@](=O)CCNC(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000116951769 655257335 /nfs/dbraw/zinc/25/73/35/655257335.db2.gz BGUPUXCACPVORC-VWLOTQADSA-N 1 0 385.599 2.807 20 0 GFADRO CC(C)(C)[S@@](=O)CCNC(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000116951821 655257417 /nfs/dbraw/zinc/25/74/17/655257417.db2.gz XFAKBGBZFBXHGT-SGANQWHYSA-N 1 0 385.599 2.807 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000176883400 655258974 /nfs/dbraw/zinc/25/89/74/655258974.db2.gz NGZCHTULKBPHIF-CQSZACIVSA-N 1 0 382.302 2.944 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)C(=O)N[C@H](C)C1=CC[N@H+](C)CC1 ZINC000276044158 655260136 /nfs/dbraw/zinc/26/01/36/655260136.db2.gz JMHFJVYVFZRMMZ-GFCCVEGCSA-N 1 0 394.313 2.717 20 0 GFADRO CCO[C@@H](CC[NH+](C)C)CNC(=O)[C@H](C)Oc1ccccc1Br ZINC000176911207 655260885 /nfs/dbraw/zinc/26/08/85/655260885.db2.gz SPTVIJZPASDGIR-KBPBESRZSA-N 1 0 387.318 2.689 20 0 GFADRO CC[C@H]1CN(C(=O)c2cc(Cl)c(Cl)cc2OC)CC[N@@H+]1C[C@@H](C)O ZINC000176936623 655262909 /nfs/dbraw/zinc/26/29/09/655262909.db2.gz XFPNEXXEVYCRHK-NEPJUHHUSA-N 1 0 375.296 2.919 20 0 GFADRO CCCN(CCC[NH+](C)C)C(=O)C[C@](O)(c1nc(C)cs1)C(F)(F)F ZINC000276133074 655264032 /nfs/dbraw/zinc/26/40/32/655264032.db2.gz AEUPKYDVZTWORB-HNNXBMFYSA-N 1 0 381.464 2.782 20 0 GFADRO CS(=O)(=O)CCC[NH2+][C@@H](c1cccc(Br)c1)C1CCOCC1 ZINC000276176023 655265957 /nfs/dbraw/zinc/26/59/57/655265957.db2.gz UFOUFPTWLKJSBD-MRXNPFEDSA-N 1 0 390.343 2.941 20 0 GFADRO CCc1nc(C[NH2+]C2CCN(S(=O)(=O)Cc3ccccc3)CC2)cs1 ZINC000117948296 655270558 /nfs/dbraw/zinc/27/05/58/655270558.db2.gz QEIXTXGYDUWYCC-UHFFFAOYSA-N 1 0 379.551 2.790 20 0 GFADRO CC[N@H+](C)CCNC(=O)C[C@@](O)(c1nc2ccccc2s1)C(F)(F)F ZINC000117982853 655270861 /nfs/dbraw/zinc/27/08/61/655270861.db2.gz OZWUSRCHSDQXJB-OAHLLOKOSA-N 1 0 375.416 2.504 20 0 GFADRO O=C(CC[N@H+]1CC[C@@](O)(C(F)(F)F)C1)Nc1cccc(Br)c1 ZINC000177271361 655272351 /nfs/dbraw/zinc/27/23/51/655272351.db2.gz YMIMILCUAWNUQK-ZDUSSCGKSA-N 1 0 381.192 2.777 20 0 GFADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)Nc2cccc(Br)c2)CC1 ZINC000118786775 655282210 /nfs/dbraw/zinc/28/22/10/655282210.db2.gz RWQSAEDLTVRANW-AWEZNQCLSA-N 1 0 383.334 2.844 20 0 GFADRO C[NH+](C)C[C@@H]1CCN(C(=O)Nc2cc3c(cc2Br)OCCO3)C1 ZINC000118795096 655282242 /nfs/dbraw/zinc/28/22/42/655282242.db2.gz LJIPSPNQXPVLHC-NSHDSACASA-N 1 0 384.274 2.636 20 0 GFADRO C[C@H](NC(=O)CN(C)C[C@@H]1CCC[N@H+](C)C1)c1ccc(Br)cc1 ZINC000118843273 655282701 /nfs/dbraw/zinc/28/27/01/655282701.db2.gz XCTUXMJTASSTEU-LSDHHAIUSA-N 1 0 382.346 2.900 20 0 GFADRO Cc1ccc([C@H](C[NH2+][C@H](C)Cn2cc(Br)cn2)N2CCOCC2)o1 ZINC000118953772 655284424 /nfs/dbraw/zinc/28/44/24/655284424.db2.gz VXYFIXKZJYLKLN-CJNGLKHVSA-N 1 0 397.317 2.599 20 0 GFADRO CC[N@H+](C)CCNC(=O)NCCCOc1ncc(C(F)(F)F)cc1Cl ZINC000119035048 655287567 /nfs/dbraw/zinc/28/75/67/655287567.db2.gz VQKXTPHRSLYHLU-UHFFFAOYSA-N 1 0 382.814 2.774 20 0 GFADRO NC(=O)C1(C[NH2+][C@@H]2CCCOc3ccc(Br)cc32)CCOCC1 ZINC000177966744 655293124 /nfs/dbraw/zinc/29/31/24/655293124.db2.gz MRWPKKYDTOZTFK-CQSZACIVSA-N 1 0 383.286 2.535 20 0 GFADRO C[NH+](C)[C@]1(CNC(=O)C(=O)Nc2cc(Cl)c(F)c(Cl)c2)CCSC1 ZINC000276959156 655295180 /nfs/dbraw/zinc/29/51/80/655295180.db2.gz BJQKEGUACACLMN-HNNXBMFYSA-N 1 0 394.299 2.625 20 0 GFADRO COC(=O)c1cc(C[NH2+]C[C@H](CO)Cc2cccc(Br)c2)c[nH]1 ZINC000277009052 655297992 /nfs/dbraw/zinc/29/79/92/655297992.db2.gz KXVAFIUDINJJFI-CQSZACIVSA-N 1 0 381.270 2.505 20 0 GFADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2nc(Br)cs2)[C@H](C)C1 ZINC000119400052 655302722 /nfs/dbraw/zinc/30/27/22/655302722.db2.gz ODHWXNLUYKVUHG-NEPJUHHUSA-N 1 0 390.347 2.772 20 0 GFADRO C[C@H](NC(=O)c1cc(Br)nn1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000277094064 655302898 /nfs/dbraw/zinc/30/28/98/655302898.db2.gz VWLIKTYLKDOXGR-ZFWWWQNUSA-N 1 0 391.313 2.823 20 0 GFADRO O=C(C[C@@H]1CCC[NH2+]1)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000178657318 655307172 /nfs/dbraw/zinc/30/71/72/655307172.db2.gz WNHYVTVKIHDWPC-LBPRGKRZSA-N 1 0 376.810 2.545 20 0 GFADRO CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)Nc1cc(F)ccc1Br ZINC000119640051 655309572 /nfs/dbraw/zinc/30/95/72/655309572.db2.gz PTFVADKRZXLZMN-LBPRGKRZSA-N 1 0 386.265 2.517 20 0 GFADRO C[NH+](C)[C@@H]1CCCN(C(=O)CCNC(=O)c2ccc(Br)cc2)CC1 ZINC000277275974 655310745 /nfs/dbraw/zinc/31/07/45/655310745.db2.gz MZBBTSDAOQAVHN-MRXNPFEDSA-N 1 0 396.329 2.512 20 0 GFADRO O=C(c1ccncc1I)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000119701793 655311746 /nfs/dbraw/zinc/31/17/46/655311746.db2.gz ZYCYNZRZGXCECM-ZDUSSCGKSA-N 1 0 399.276 2.777 20 0 GFADRO C[C@H]1C[N@H+](CCCNC(=O)c2c(F)cc(Br)cc2F)CCCO1 ZINC000277383187 655316028 /nfs/dbraw/zinc/31/60/28/655316028.db2.gz CVQWTXYDZBKCSD-NSHDSACASA-N 1 0 391.256 2.958 20 0 GFADRO CCC(CC)[C@@H](CNC(=O)C(=O)Nc1ccc(Br)nc1C)[NH+](C)C ZINC000179727914 655316429 /nfs/dbraw/zinc/31/64/29/655316429.db2.gz HGSJMQOQTYENQM-CQSZACIVSA-N 1 0 399.333 2.574 20 0 GFADRO O=C(Nc1ccc(Br)cc1)C1CC[NH+]([C@H]2CCCCNC2=O)CC1 ZINC000119816663 655316508 /nfs/dbraw/zinc/31/65/08/655316508.db2.gz JUXZUCFQVBCPOP-INIZCTEOSA-N 1 0 394.313 2.768 20 0 GFADRO Cc1c(Br)cc(C(=O)Nc2ccc(CC[NH+](C)C)cc2)c(=O)n1C ZINC000277456432 655320113 /nfs/dbraw/zinc/32/01/13/655320113.db2.gz NRIZLLLKUGFYBK-UHFFFAOYSA-N 1 0 392.297 2.813 20 0 GFADRO Cc1c(Br)cc(C(=O)N(CC(C)C)C2CC[NH+](C)CC2)c(=O)n1C ZINC000277501490 655323303 /nfs/dbraw/zinc/32/33/03/655323303.db2.gz SRRAIEMFTIPHON-UHFFFAOYSA-N 1 0 398.345 2.649 20 0 GFADRO CSCC[C@@H](NC(=O)c1ccccc1Cl)C(=O)NNc1cc[nH+]cc1 ZINC000180472908 655327072 /nfs/dbraw/zinc/32/70/72/655327072.db2.gz XRJIOKHKKFTGND-OAHLLOKOSA-N 1 0 378.885 2.730 20 0 GFADRO O=C(C[N@H+]1CCCN(Cc2cccc(Br)c2)CC1)N1CCCC1 ZINC000120084707 655327204 /nfs/dbraw/zinc/32/72/04/655327204.db2.gz ZPYSULNANQAJKN-UHFFFAOYSA-N 1 0 380.330 2.579 20 0 GFADRO CC[C@@H]([NH2+]C[C@H](O)c1ccc(C)o1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000280761095 655330670 /nfs/dbraw/zinc/33/06/70/655330670.db2.gz FLCBJISUFVRFOA-CABCVRRESA-N 1 0 386.901 2.924 20 0 GFADRO C[C@@H]([NH2+]C[C@H]1CCn2ncc(C(N)=O)c2C1)c1ccc(Br)cc1F ZINC000280967415 655330832 /nfs/dbraw/zinc/33/08/32/655330832.db2.gz LABIPSFRGLUFSG-MNOVXSKESA-N 1 0 395.276 2.797 20 0 GFADRO CNC(=O)C[C@@H](C)[NH2+][C@H](CO)c1ccc(Br)cc1C(F)(F)F ZINC000280981260 655331360 /nfs/dbraw/zinc/33/13/60/655331360.db2.gz MAWGQWUUIGGQQV-PRHODGIISA-N 1 0 383.208 2.616 20 0 GFADRO CCn1c(SCC(=O)NC2(C[NH+](C)C)CCC2)nnc1-c1cccs1 ZINC000281030446 655331910 /nfs/dbraw/zinc/33/19/10/655331910.db2.gz HVLXNDCRZVOCDJ-UHFFFAOYSA-N 1 0 379.555 2.719 20 0 GFADRO C[C@@H]([NH2+]C1CCN(c2nccs2)CC1)c1ccc(NS(C)(=O)=O)cc1 ZINC000281471071 655333655 /nfs/dbraw/zinc/33/36/55/655333655.db2.gz FGCKTIAZWXEMKL-CYBMUJFWSA-N 1 0 380.539 2.834 20 0 GFADRO O=C1[C@@H](c2cccc(Br)c2)CCN1CN1CC[NH+](C2CC2)CC1 ZINC000839981920 661122073 /nfs/dbraw/zinc/12/20/73/661122073.db2.gz JBJSYEGSKZVTGO-QGZVFWFLSA-N 1 0 378.314 2.503 20 0 GFADRO Cc1cccc(NC(=O)C(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)c1Br ZINC000120620322 655340678 /nfs/dbraw/zinc/34/06/78/655340678.db2.gz ZMVFTWQYSCSQFE-OLZOCXBDSA-N 1 0 382.302 2.637 20 0 GFADRO CC(C)(COc1ncccc1C(F)(F)F)[NH2+]C[C@@H]1CCCS(=O)(=O)C1 ZINC000284276017 655341330 /nfs/dbraw/zinc/34/13/30/655341330.db2.gz XROPAQYEUAXPEY-LBPRGKRZSA-N 1 0 380.432 2.672 20 0 GFADRO [NH3+][C@H]1CCc2nc(NC(=O)CCc3nc(-c4cccs4)no3)sc2C1 ZINC000289302522 655345920 /nfs/dbraw/zinc/34/59/20/655345920.db2.gz SGWSGIMYSOFXPU-VIFPVBQESA-N 1 0 375.479 2.642 20 0 GFADRO CC[NH+]1CCN([C@H](C)CNC(=O)CCc2ccccc2Br)CC1 ZINC000120889279 655346019 /nfs/dbraw/zinc/34/60/19/655346019.db2.gz XAMSXEGZHZOVTH-OAHLLOKOSA-N 1 0 382.346 2.524 20 0 GFADRO O=C(C[C@H]1Sc2ccc(Cl)cc2NC1=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000289319918 655346483 /nfs/dbraw/zinc/34/64/83/655346483.db2.gz UNQIBMUTHMZJHO-CRAIPNDOSA-N 1 0 379.913 2.745 20 0 GFADRO COc1cc([C@H](C)[NH2+][C@H]2CC[C@H](CO)CC2)ccc1S(=O)(=O)C(F)F ZINC000121415106 655349834 /nfs/dbraw/zinc/34/98/34/655349834.db2.gz NQNDMKGHQYSZSR-SGMGOOAPSA-N 1 0 377.453 2.893 20 0 GFADRO CN(C)CC[N@H+](C)CCCN(C)C(=O)NCc1csc(Br)c1 ZINC000292508170 655351487 /nfs/dbraw/zinc/35/14/87/655351487.db2.gz RJFYRLIUDCQWOO-UHFFFAOYSA-N 1 0 391.379 2.536 20 0 GFADRO C[NH+](C)Cc1ccnc(NS(=O)(=O)CCc2ccccc2Br)c1 ZINC000292523865 655351925 /nfs/dbraw/zinc/35/19/25/655351925.db2.gz LKJFCYVPNGGSNA-UHFFFAOYSA-N 1 0 398.326 2.890 20 0 GFADRO COc1cc(/C=C/C(=O)NC[C@@H]2CCC[N@H+](C)C2)cc(Br)c1O ZINC000183589568 655352357 /nfs/dbraw/zinc/35/23/57/655352357.db2.gz CKRXEDNXWQSYJE-GFUIURDCSA-N 1 0 383.286 2.635 20 0 GFADRO CC(C)C[C@@H](CNc1cnn(-c2ccccn2)c(=O)c1Br)[NH+](C)C ZINC000292756451 655354202 /nfs/dbraw/zinc/35/42/02/655354202.db2.gz KRPSFMAKWZKTSA-ZDUSSCGKSA-N 1 0 394.317 2.778 20 0 GFADRO O[C@@H](COc1cc(Cl)ccc1Cl)C[NH+]1CCC2(CC1)OCCCO2 ZINC000292893237 655356227 /nfs/dbraw/zinc/35/62/27/655356227.db2.gz DCDKPJLQUYXEGY-CQSZACIVSA-N 1 0 376.280 2.962 20 0 GFADRO CC[N@H+](CCO)CCNCc1c(C)nn(Cc2ccc(Cl)cc2)c1Cl ZINC000184545279 655357896 /nfs/dbraw/zinc/35/78/96/655357896.db2.gz UBCZJPNZJMWUFE-UHFFFAOYSA-N 1 0 385.339 2.950 20 0 GFADRO CC[N@@H+]1CC[C@H](CNC(=O)c2ccn(-c3ccc(Br)cc3)n2)C1 ZINC000293145627 655359349 /nfs/dbraw/zinc/35/93/49/655359349.db2.gz APQUCHOFIMVPGE-CYBMUJFWSA-N 1 0 377.286 2.706 20 0 GFADRO CC[C@H]1[C@H](C)CC[N@@H+]1CN1C(=O)C(=O)N(c2ccc(Br)cc2)C1=O ZINC000184977104 655361405 /nfs/dbraw/zinc/36/14/05/655361405.db2.gz RRLRBHNEBIDLQT-RISCZKNCSA-N 1 0 394.269 2.822 20 0 GFADRO CC[C@@H]1[C@H](C)CC[N@@H+]1CN1C(=O)C(=O)N(c2ccc(Br)cc2)C1=O ZINC000184977086 655361457 /nfs/dbraw/zinc/36/14/57/655361457.db2.gz RRLRBHNEBIDLQT-BXUZGUMPSA-N 1 0 394.269 2.822 20 0 GFADRO C[C@@H](Oc1ccccc1Br)C(=O)Nc1ccnn1CC[NH+](C)C ZINC000294044512 655364436 /nfs/dbraw/zinc/36/44/36/655364436.db2.gz LAKNXLAAVVVJNG-GFCCVEGCSA-N 1 0 381.274 2.613 20 0 GFADRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)N(C)Cc1cc(Cl)cc(Cl)c1 ZINC000298124001 655372463 /nfs/dbraw/zinc/37/24/63/655372463.db2.gz WVIMNAMWHDRIJS-BLLLJJGKSA-N 1 0 386.323 2.750 20 0 GFADRO Cn1ccnc1[C@](O)(C[NH2+]Cc1ccc(F)c(Br)c1)C(F)(F)F ZINC000299364534 655374890 /nfs/dbraw/zinc/37/48/90/655374890.db2.gz WJOKPCNYHJTBTO-CYBMUJFWSA-N 1 0 396.182 2.861 20 0 GFADRO C[C@H](CC[NH+](C)C)NC(=O)Nc1cc(Br)ccc1N1CCOCC1 ZINC000299379734 655375213 /nfs/dbraw/zinc/37/52/13/655375213.db2.gz PODSHNVIVNHUMU-CYBMUJFWSA-N 1 0 399.333 2.747 20 0 GFADRO CCO[C@@H]1C[C@@]([NH3+])(C(=O)NC[C@H](O)c2ccc(Cl)cc2Cl)C1(C)C ZINC000187754151 655376394 /nfs/dbraw/zinc/37/63/94/655376394.db2.gz WBSUMJXFMOMQNL-JJRVBVJISA-N 1 0 375.296 2.676 20 0 GFADRO CC(C)C(C)(C)C[NH2+][C@@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000188713130 655381521 /nfs/dbraw/zinc/38/15/21/655381521.db2.gz YDWYWEBBTVJCMF-AWEZNQCLSA-N 1 0 390.571 2.745 20 0 GFADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)c2cc(Br)ncc2Cl)C1 ZINC000188747600 655381781 /nfs/dbraw/zinc/38/17/81/655381781.db2.gz RLONKZGMLKACOQ-LLVKDONJSA-N 1 0 390.709 2.584 20 0 GFADRO CC[N@@H+]1CCCN(C(=O)c2ccc(I)c(O)c2)[C@H](C)C1 ZINC000320131826 655382102 /nfs/dbraw/zinc/38/21/02/655382102.db2.gz QZWJIVDMYOWESP-LLVKDONJSA-N 1 0 388.249 2.553 20 0 GFADRO C[C@@H](CNc1cnn(CC(F)(F)F)c(=O)c1Br)C[NH+]1CCCC1 ZINC000322927861 655383375 /nfs/dbraw/zinc/38/33/75/655383375.db2.gz JOQYXTROTNULDE-JTQLQIEISA-N 1 0 397.239 2.712 20 0 GFADRO O=C(c1ccn(-c2cccc(Br)c2)n1)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000333834423 655388224 /nfs/dbraw/zinc/38/82/24/655388224.db2.gz NBKKNPMFAYSADB-QGZVFWFLSA-N 1 0 375.270 2.603 20 0 GFADRO CC[N@@H+]1CCCC[C@@H]1CN1C(=O)N[C@H](c2ccc(Br)cc2)C1=O ZINC000349380545 655389853 /nfs/dbraw/zinc/38/98/53/655389853.db2.gz WZTWWRBRIVNYCR-HUUCEWRRSA-N 1 0 380.286 2.916 20 0 GFADRO C[NH+]1CCC(n2ccc(NC(=O)COc3ccc(Cl)cc3Cl)n2)CC1 ZINC000365844202 655395451 /nfs/dbraw/zinc/39/54/51/655395451.db2.gz GZNJAHLCRRVDPL-UHFFFAOYSA-N 1 0 383.279 3.474 20 0 GFADRO Cc1cc(Br)ccc1C[NH2+]C[C@@H]1CCC[C@@]12NC(=O)N(C)C2=O ZINC000366035800 655398325 /nfs/dbraw/zinc/39/83/25/655398325.db2.gz WJUPEYCIVNMEND-SUMWQHHRSA-N 1 0 380.286 2.568 20 0 GFADRO CN(Cc1ccc(Cl)s1)C(=O)CN1CCC[N@@H+](C2CCOCC2)CC1 ZINC000369524554 655401502 /nfs/dbraw/zinc/40/15/02/655401502.db2.gz DGSDLXYOPNVKSS-UHFFFAOYSA-N 1 0 385.961 2.547 20 0 GFADRO Cn1nc(Br)cc1C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000192124305 655402768 /nfs/dbraw/zinc/40/27/68/655402768.db2.gz SHZLSCKZJYMOGC-CQSZACIVSA-N 1 0 377.286 2.577 20 0 GFADRO CC[NH+](CC)[C@@H]1CCN(Cn2c(=O)oc3cc(F)c(Br)cc32)C1 ZINC000192161015 655403016 /nfs/dbraw/zinc/40/30/16/655403016.db2.gz IACUHRFKIQKEGN-LLVKDONJSA-N 1 0 386.265 2.870 20 0 GFADRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N(CC[NH3+])Cc2ccccc2)c1 ZINC000193316662 655409387 /nfs/dbraw/zinc/40/93/87/655409387.db2.gz AABNOBTVQFOELH-UHFFFAOYSA-N 1 0 383.857 2.706 20 0 GFADRO Cn1ccnc1[C@@H]1CCC[N@H+](C[C@@H](O)COc2ccc(Br)cc2)C1 ZINC000444801990 655409782 /nfs/dbraw/zinc/40/97/82/655409782.db2.gz LQSFXROXLJXZJQ-GDBMZVCRSA-N 1 0 394.313 2.802 20 0 GFADRO COCCO[C@H]1CCC[N@H+](Cn2ccc(=O)c3cccc(Br)c32)C1 ZINC000193421867 655410215 /nfs/dbraw/zinc/41/02/15/655410215.db2.gz HZDVBNZJDHIWFV-AWEZNQCLSA-N 1 0 395.297 2.849 20 0 GFADRO CC[N@H+](C[C@@]1(C)CCN(C(=O)OC(C)(C)C)C1)[C@@H](C)CS(=O)(=O)CC ZINC000195172152 655419357 /nfs/dbraw/zinc/41/93/57/655419357.db2.gz XNJDXTFOAVBIRR-MAUKXSAKSA-N 1 0 376.563 2.779 20 0 GFADRO C[NH+]1CCN(C[C@H](NC(=O)c2occc2Br)c2ccccc2)CC1 ZINC000530955236 655420833 /nfs/dbraw/zinc/42/08/33/655420833.db2.gz WTPOZHBKAKGMRH-INIZCTEOSA-N 1 0 392.297 2.761 20 0 GFADRO CC[C@@H]([NH2+]CC(=O)Nc1ccc(Br)cn1)c1c(C)nn(C)c1C ZINC000541598167 655421392 /nfs/dbraw/zinc/42/13/92/655421392.db2.gz CHIYURMEDKOSKK-CYBMUJFWSA-N 1 0 380.290 2.874 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CCCCN1S(=O)(=O)c1ccc(Cl)c(Br)c1 ZINC000235159908 655424454 /nfs/dbraw/zinc/42/44/54/655424454.db2.gz LNJBAZMYMGJULJ-NOZJJQNGSA-N 1 0 381.723 2.993 20 0 GFADRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)/C=C/c1ccc(I)o1 ZINC000236768753 655424932 /nfs/dbraw/zinc/42/49/32/655424932.db2.gz WXCKDXUSXJTOHP-PZBABLGHSA-N 1 0 376.238 2.729 20 0 GFADRO C[C@@H]1CN(Cn2nc(-c3ccccc3Cl)oc2=S)C[C@H](C)[N@H+]1CCO ZINC000840136615 661138455 /nfs/dbraw/zinc/13/84/55/661138455.db2.gz UYNGQQHDYIZZCN-BETUJISGSA-N 1 0 382.917 2.870 20 0 GFADRO C[C@H](C(=O)N1CCC(OCCC[NH3+])CC1)c1ccc(Br)s1 ZINC000237404705 655426255 /nfs/dbraw/zinc/42/62/55/655426255.db2.gz NHEZOTVNKUVOBX-NSHDSACASA-N 1 0 375.332 2.971 20 0 GFADRO CC(=O)NCCN(Cc1ccc(Cl)cc1Cl)C(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000574199528 655426237 /nfs/dbraw/zinc/42/62/37/655426237.db2.gz HFRHCRNPTSYSPP-RYUDHWBXSA-N 1 0 389.327 2.767 20 0 GFADRO [NH3+][C@@H](CNC(=O)c1cc(I)cc(C(F)(F)F)c1)C1CC1 ZINC000238023136 655426976 /nfs/dbraw/zinc/42/69/76/655426976.db2.gz RQQBTVFPPNOVPA-NSHDSACASA-N 1 0 398.166 2.777 20 0 GFADRO C[C@@H]1CCN(c2ncnc3cccc(I)c32)C[C@H]1C[NH3+] ZINC000574300018 655428516 /nfs/dbraw/zinc/42/85/16/655428516.db2.gz DKXGAFCGDFFAII-GHMZBOCLSA-N 1 0 382.249 2.656 20 0 GFADRO Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000574312157 655428816 /nfs/dbraw/zinc/42/88/16/655428816.db2.gz OSADYLOWZUPZBL-NSHDSACASA-N 1 0 383.279 2.590 20 0 GFADRO O=C(CNC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1)c1c(F)cccc1Cl ZINC000574339632 655429348 /nfs/dbraw/zinc/42/93/48/655429348.db2.gz UPJBFPPJISULBF-CYBMUJFWSA-N 1 0 384.904 2.996 20 0 GFADRO COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N[C@H](C)C[N@H+](C)C(C)C ZINC000574846949 655431976 /nfs/dbraw/zinc/43/19/76/655431976.db2.gz MJMFXWQNEUBCOK-ZIAGYGMSSA-N 1 0 392.949 2.761 20 0 GFADRO CC[C@H]([NH3+])CNC(=O)c1ccccc1Sc1ccc(S(C)(=O)=O)cc1 ZINC000575804388 655437521 /nfs/dbraw/zinc/43/75/21/655437521.db2.gz NTNYLBDGIRKQOE-ZDUSSCGKSA-N 1 0 378.519 2.708 20 0 GFADRO O=C(NCCN1CC[NH2+]CC1)N[C@@H](c1ccsc1)c1ccc(Cl)cc1 ZINC000575852824 655438433 /nfs/dbraw/zinc/43/84/33/655438433.db2.gz ANALTNAPHRICMB-QGZVFWFLSA-N 1 0 378.929 2.695 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1CN1CCC[C@H]([C@@H](C)O)C1 ZINC000575870454 655438902 /nfs/dbraw/zinc/43/89/02/655438902.db2.gz RLDNNQZEXXKKPC-RDBSUJKOSA-N 1 0 399.329 2.555 20 0 GFADRO CCn1cc([C@@H]2NC(=O)CC[C@H]2[NH2+][C@@H](C)c2ccc(Br)cn2)cn1 ZINC000575924036 655440131 /nfs/dbraw/zinc/44/01/31/655440131.db2.gz TYEFHQZNRCYRQX-CXMBCZLWSA-N 1 0 392.301 2.731 20 0 GFADRO C[C@@H]([NH3+])CC(=O)N[C@@H](c1ccc(Cl)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000261800969 655442361 /nfs/dbraw/zinc/44/23/61/655442361.db2.gz KZXUIOPBTANIDO-XIKOKIGWSA-N 1 0 380.897 2.686 20 0 GFADRO Cc1cc(OC[C@@H](O)C[NH2+]C[C@H](C)S(C)(=O)=O)c(C(C)C)cc1Cl ZINC000576101217 655443380 /nfs/dbraw/zinc/44/33/80/655443380.db2.gz NLWRBKJRIYMCFM-KBPBESRZSA-N 1 0 377.934 2.534 20 0 GFADRO O=C(NCC1C[NH2+]C1)c1ccc(COc2ccccc2Br)cc1 ZINC000262055842 655443699 /nfs/dbraw/zinc/44/36/99/655443699.db2.gz XIEINYHHJJZTND-UHFFFAOYSA-N 1 0 375.266 2.977 20 0 GFADRO CC(C)[N@H+](CCC(=O)N1CC[NH2+]CC1)Cc1cc(Br)ccc1F ZINC000262207374 655444447 /nfs/dbraw/zinc/44/44/47/655444447.db2.gz SUBXMPCRXZBSAI-UHFFFAOYSA-N 1 0 386.309 2.621 20 0 GFADRO CCO[C@@H]1COC[C@H]1[NH2+]Cc1ccnc(-c2ccc(Br)cc2)n1 ZINC000576313036 655445146 /nfs/dbraw/zinc/44/51/46/655445146.db2.gz WIEIGMIVGYVDBS-HZPDHXFCSA-N 1 0 378.270 2.800 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+][C@@H]2C[C@H]2Cc2ccccc2)cc1Br ZINC000576368206 655446080 /nfs/dbraw/zinc/44/60/80/655446080.db2.gz GAPASAABWJJPIN-GDBMZVCRSA-N 1 0 395.322 2.817 20 0 GFADRO C[C@@H](C[NH3+])NC(=O)c1nn(-c2ccc(Br)cc2)c2c1CCCC2 ZINC000262534241 655446090 /nfs/dbraw/zinc/44/60/90/655446090.db2.gz OXQLYTGNCARECW-NSHDSACASA-N 1 0 377.286 2.591 20 0 GFADRO COCCN(Cc1ccc(Br)s1)C(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000576701718 655451181 /nfs/dbraw/zinc/45/11/81/655451181.db2.gz HSWMOQCZATUWIS-WDEREUQCSA-N 1 0 378.336 2.794 20 0 GFADRO Cc1cc(NC(=O)CC[NH2+][C@@H]2CCN(c3ccc(Cl)cc3Cl)C2)no1 ZINC000576979846 655455797 /nfs/dbraw/zinc/45/57/97/655455797.db2.gz OXFGUCDXNWWRKF-CYBMUJFWSA-N 1 0 383.279 3.487 20 0 GFADRO CC(C)COC[C@H](O)C[NH2+]C[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000577621956 655463224 /nfs/dbraw/zinc/46/32/24/655463224.db2.gz ONXBLBIPFRSDTK-MAUKXSAKSA-N 1 0 385.346 2.899 20 0 GFADRO C[C@@H](NC(=O)c1ncc(Br)cc1Br)[C@@H]1CCC[NH2+]C1 ZINC000577621519 655463256 /nfs/dbraw/zinc/46/32/56/655463256.db2.gz PWQYMSPJGKXEFE-RKDXNWHRSA-N 1 0 391.107 2.725 20 0 GFADRO C[C@H](Oc1cccc(Cl)c1Cl)C(=O)N(C)CCCN1CC[NH+](C)CC1 ZINC000264600773 655466921 /nfs/dbraw/zinc/46/69/21/655466921.db2.gz DKDWHFUXFRCGJC-AWEZNQCLSA-N 1 0 388.339 2.857 20 0 GFADRO CS[C@H]1CN(C(=O)Nc2cc(-c3cccc(Cl)c3)on2)C[C@H]1[NH+](C)C ZINC000577807526 655467513 /nfs/dbraw/zinc/46/75/13/655467513.db2.gz XJMMUZFNVHZHEK-HIFRSBDPSA-N 1 0 380.901 3.504 20 0 GFADRO C[C@@H](NC(=O)NC[C@H]1C[N@H+](C)CCN1C)c1cc(F)c(Cl)cc1Cl ZINC000264754290 655469741 /nfs/dbraw/zinc/46/97/41/655469741.db2.gz RWNWHIVQIAEBJQ-MNOVXSKESA-N 1 0 377.291 2.739 20 0 GFADRO CN(CCCN1CC[NH+](C)CC1)C(=O)C1(c2cccc(Br)c2)CC1 ZINC000264783716 655470322 /nfs/dbraw/zinc/47/03/22/655470322.db2.gz RJKQAHKARHEGHW-UHFFFAOYSA-N 1 0 394.357 2.577 20 0 GFADRO O=C(NCCC[C@@H]1CCC[NH2+]1)[C@@H]1CSCN1C(=O)c1ccc(Cl)cc1 ZINC000578126958 655473060 /nfs/dbraw/zinc/47/30/60/655473060.db2.gz JTOSGBNQYYPBKP-HOTGVXAUSA-N 1 0 381.929 2.504 20 0 GFADRO O[C@@H](CNCc1csc(COc2ccc(Cl)cc2)n1)C[NH+]1CCCC1 ZINC000264944796 655474416 /nfs/dbraw/zinc/47/44/16/655474416.db2.gz HVGNIWRTNMTOPY-INIZCTEOSA-N 1 0 381.929 2.922 20 0 GFADRO COc1cc(C[N@H+](C)CCNC(C)=O)cc(Br)c1OC(F)F ZINC000578238305 655474800 /nfs/dbraw/zinc/47/48/00/655474800.db2.gz WKGOMWJGDVLQGZ-UHFFFAOYSA-N 1 0 381.217 2.627 20 0 GFADRO Cc1csc([C@@](O)(CC(=O)NC[C@H](CC(C)C)[NH+](C)C)C(F)(F)F)n1 ZINC000265116876 655477764 /nfs/dbraw/zinc/47/77/64/655477764.db2.gz MNSZWURXNUAJMF-WFASDCNBSA-N 1 0 381.464 2.684 20 0 GFADRO O=C(Cc1ccc(Br)s1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000265133003 655477967 /nfs/dbraw/zinc/47/79/67/655477967.db2.gz RYUWQSNRUFZIFL-UHFFFAOYSA-N 1 0 387.343 2.624 20 0 GFADRO CN(CC(=O)OCC[C@H]1CCCC[N@@H+]1C)C(=O)c1ccc(Br)o1 ZINC000840216937 661147460 /nfs/dbraw/zinc/14/74/60/661147460.db2.gz YCYFVPZRDRGGGM-GFCCVEGCSA-N 1 0 387.274 2.532 20 0 GFADRO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)C[NH2+][C@@](C)(CO)C(C)C ZINC000578701428 655485021 /nfs/dbraw/zinc/48/50/21/655485021.db2.gz ILUACOUOWLSWDP-INIZCTEOSA-N 1 0 377.268 2.715 20 0 GFADRO CC(=O)NC1CCC([NH2+]C[C@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000578740649 655486043 /nfs/dbraw/zinc/48/60/43/655486043.db2.gz QRMOUKKWSLVVPI-NRXISQOPSA-N 1 0 375.296 2.770 20 0 GFADRO O=S(=O)(c1ccc(OC(F)F)c(F)c1)N1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000578746288 655486193 /nfs/dbraw/zinc/48/61/93/655486193.db2.gz KWOKQLABCFAQEX-KBPBESRZSA-N 1 0 378.416 2.722 20 0 GFADRO O=C(COc1c(Cl)cccc1Cl)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000265644463 655487879 /nfs/dbraw/zinc/48/78/79/655487879.db2.gz XDIVHCNUDHBXDT-CYBMUJFWSA-N 1 0 387.307 2.989 20 0 GFADRO COCC[N@H+](C)C[C@H](O)CN1CCC[C@@H]1c1ccc(Br)c(C)c1 ZINC000578903500 655488949 /nfs/dbraw/zinc/48/89/49/655488949.db2.gz KKSUSERIJCBOBI-FUHWJXTLSA-N 1 0 385.346 2.834 20 0 GFADRO CCCN(C1CC[NH2+]CC1)S(=O)(=O)c1cc(Cl)c(OC)cc1OC ZINC000579006121 655491437 /nfs/dbraw/zinc/49/14/37/655491437.db2.gz FTUNGAILIYPXPB-UHFFFAOYSA-N 1 0 376.906 2.510 20 0 GFADRO CN(C)S(=O)(=O)N1CCCC[C@H]1C[NH2+]Cc1cccc(Cl)c1Cl ZINC000579056073 655492623 /nfs/dbraw/zinc/49/26/23/655492623.db2.gz NQZNAEJGMJSFPZ-ZDUSSCGKSA-N 1 0 380.341 2.744 20 0 GFADRO O=C(CC[NH+]1CCN(c2cccc(Br)c2)CC1)N1CCCCC1 ZINC000579136098 655494589 /nfs/dbraw/zinc/49/45/89/655494589.db2.gz WXPRWVUPIICUFU-UHFFFAOYSA-N 1 0 380.330 2.974 20 0 GFADRO CN(Cc1cccc(Cl)c1)C(=O)C(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000579135505 655494618 /nfs/dbraw/zinc/49/46/18/655494618.db2.gz TWKNRGTUDMRTJL-OAHLLOKOSA-N 1 0 379.913 2.779 20 0 GFADRO O[C@@H](C[NH2+]Cc1ccc(I)cc1)COc1ccccc1 ZINC000579434615 655499533 /nfs/dbraw/zinc/49/95/33/655499533.db2.gz DSDBYXUDNHYFQY-HNNXBMFYSA-N 1 0 383.229 2.821 20 0 GFADRO C[C@H]([NH2+]C[C@H]1CS(=O)(=O)CCO1)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000579506182 655500492 /nfs/dbraw/zinc/50/04/92/655500492.db2.gz NNXNDDWFDSPLJF-GVXVVHGQSA-N 1 0 382.309 2.552 20 0 GFADRO C[C@@H]1CCCc2nc(S(=O)(=O)N(CC[NH+](C)C)Cc3ccsc3)cn21 ZINC000579691207 655502414 /nfs/dbraw/zinc/50/24/14/655502414.db2.gz SYQCNIBNSZBMTE-CQSZACIVSA-N 1 0 382.555 2.594 20 0 GFADRO Cc1ccc(I)c(C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000579700744 655502712 /nfs/dbraw/zinc/50/27/12/655502712.db2.gz CFHOMULMISMOLO-LNSITVRQSA-N 1 0 384.261 2.799 20 0 GFADRO O=C(CCNC(=O)Nc1ccc(Br)cc1)NCCC[C@@H]1CCC[NH2+]1 ZINC000579700864 655502713 /nfs/dbraw/zinc/50/27/13/655502713.db2.gz OFBBWXQZOMZXNB-AWEZNQCLSA-N 1 0 397.317 2.609 20 0 GFADRO O[C@H](C[NH2+]C[C@H](O)Cc1ccc(F)cc1)COc1ccccc1Br ZINC000579712674 655502875 /nfs/dbraw/zinc/50/28/75/655502875.db2.gz WXNLWKPPPYHILG-HZPDHXFCSA-N 1 0 398.272 2.521 20 0 GFADRO CC[N@@H+]1CCCN(c2nnc(-c3ccc(OC)c(Br)c3)n2C)CC1 ZINC000579764402 655503800 /nfs/dbraw/zinc/50/38/00/655503800.db2.gz AAYCGNTWJTUFDI-UHFFFAOYSA-N 1 0 394.317 2.785 20 0 GFADRO C[C@@H]1CC[NH2+][C@H](C(=O)N2CCN(C(=O)c3cc4sccc4s3)CC2)C1 ZINC000579822465 655504309 /nfs/dbraw/zinc/50/43/09/655504309.db2.gz RTLBBFSWUJGVMJ-OLZOCXBDSA-N 1 0 377.535 2.635 20 0 GFADRO COC[C@@]1(CNC(=O)NCc2cc(Cl)ccc2Br)CCC[NH2+]1 ZINC000579954693 655506208 /nfs/dbraw/zinc/50/62/08/655506208.db2.gz PFHJRNJKHCUWLG-HNNXBMFYSA-N 1 0 390.709 2.670 20 0 GFADRO O=C(NCCNc1ncc(Cl)cc1Cl)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000580052151 655507493 /nfs/dbraw/zinc/50/74/93/655507493.db2.gz KHSYJEPFGQFWIM-HNNXBMFYSA-N 1 0 386.327 2.974 20 0 GFADRO CCOCC[C@@H](O)C[NH2+]Cc1ccc(I)cc1Cl ZINC000580064437 655507606 /nfs/dbraw/zinc/50/76/06/655507606.db2.gz CZLVVKFWAYHMBT-GFCCVEGCSA-N 1 0 383.657 2.822 20 0 GFADRO O=S(=O)(c1cc(Cl)ccc1OC(F)F)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000580073372 655507942 /nfs/dbraw/zinc/50/79/42/655507942.db2.gz HKOFGHYXHZWNGB-GFCCVEGCSA-N 1 0 394.871 2.952 20 0 GFADRO CC[N@H+](CCNC(=O)N(C)C[C@@H](O)c1cccc(Br)c1)C1CC1 ZINC000840282374 661151392 /nfs/dbraw/zinc/15/13/92/661151392.db2.gz JXNFBFDCYXZNCZ-MRXNPFEDSA-N 1 0 384.318 2.608 20 0 GFADRO C[C@H](Cc1c(Cl)cccc1Cl)NC(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000580183324 655509437 /nfs/dbraw/zinc/50/94/37/655509437.db2.gz FYTVWFZVYLVULK-VXGBXAGGSA-N 1 0 382.295 2.870 20 0 GFADRO Cc1c(C(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)nnn1-c1cccc(Br)c1 ZINC000580182462 655509480 /nfs/dbraw/zinc/50/94/80/655509480.db2.gz YKMLRHFEJADWIJ-OCCSQVGLSA-N 1 0 392.301 2.586 20 0 GFADRO Ic1c2c(sc1-c1nc([C@@H]3CCCO3)no1)C[NH2+]C2 ZINC000596023970 655513734 /nfs/dbraw/zinc/51/37/34/655513734.db2.gz OJGGFCCEYCQNCH-ZETCQYMHSA-N 1 0 389.218 2.857 20 0 GFADRO CS[C@H]1CN(c2nnc3ccc(Br)cn32)C[C@@H]1[NH+]1CCCC1 ZINC000596197089 655514912 /nfs/dbraw/zinc/51/49/12/655514912.db2.gz QGRSBRJVGCFMPP-STQMWFEESA-N 1 0 382.331 2.508 20 0 GFADRO CC(C)(C)OC(=O)N1CCO[C@H](C[NH2+]Cc2ccncc2Br)C1 ZINC000703801938 655521994 /nfs/dbraw/zinc/52/19/94/655521994.db2.gz OFMBPHDOVOGMQS-CYBMUJFWSA-N 1 0 386.290 2.570 20 0 GFADRO COC(=O)c1sc(NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)nc1Cl ZINC000705376401 655522042 /nfs/dbraw/zinc/52/20/42/655522042.db2.gz UOPRDSWPHFZCRX-QGZVFWFLSA-N 1 0 381.885 2.632 20 0 GFADRO Brc1cc2c(cc1C[N@@H+]1CCC[C@@H](C3OCCO3)C1)OCCO2 ZINC000719056756 655524250 /nfs/dbraw/zinc/52/42/50/655524250.db2.gz FPDZTEVXHKTWFQ-GFCCVEGCSA-N 1 0 384.270 2.805 20 0 GFADRO O=S1(=O)CCCN1CCC[NH2+]Cc1cccc(Cl)c1Br ZINC000719463631 655524427 /nfs/dbraw/zinc/52/44/27/655524427.db2.gz XMBAJFHMPJFLMW-UHFFFAOYSA-N 1 0 381.723 2.618 20 0 GFADRO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)c1cccc(F)c1I ZINC000721713126 655525132 /nfs/dbraw/zinc/52/51/32/655525132.db2.gz MLYYGOIMAZBEMG-QWHCGFSZSA-N 1 0 388.224 2.739 20 0 GFADRO Cc1c(Cl)cccc1NC(=S)NNC(=S)NCC(C)(C)C[NH+](C)C ZINC000727065362 655541034 /nfs/dbraw/zinc/54/10/34/655541034.db2.gz XKDCAVVMNPVULY-UHFFFAOYSA-N 1 0 388.006 2.902 20 0 GFADRO O=S(=O)(/C=C\c1ccccc1Br)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000727452037 655545614 /nfs/dbraw/zinc/54/56/14/655545614.db2.gz MCFVBNHMTAZIAL-ORVLFJDJSA-N 1 0 385.327 2.966 20 0 GFADRO O=S(=O)(/C=C/c1ccccc1Br)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000727456170 655545785 /nfs/dbraw/zinc/54/57/85/655545785.db2.gz HXOSYYPCEQDISC-JQVXPOPVSA-N 1 0 385.327 2.920 20 0 GFADRO CC/C=C(\C)C(=O)N1CSC[C@@H]1C(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000728019064 655551716 /nfs/dbraw/zinc/55/17/16/655551716.db2.gz RAQGTCLVLYLTSG-PHIGAYBXSA-N 1 0 381.567 2.725 20 0 GFADRO CN(C)S(=O)(=O)CCC[N@@H+]1CCC[C@H]1Cc1ccc(Br)cc1 ZINC000728688025 655558328 /nfs/dbraw/zinc/55/83/28/655558328.db2.gz AIIRPMIMBYBINT-INIZCTEOSA-N 1 0 389.359 2.738 20 0 GFADRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)CSc1nc2ccccc2s1 ZINC000729431391 655564644 /nfs/dbraw/zinc/56/46/44/655564644.db2.gz HOPHXDCOIYAIHA-AWEZNQCLSA-N 1 0 379.551 2.958 20 0 GFADRO O[C@H](COc1ccc(Cl)c(Cl)c1)C[N@@H+]1CCCC[C@@H]1C1OCCO1 ZINC000729543661 655565717 /nfs/dbraw/zinc/56/57/17/655565717.db2.gz LYTJLFCCZIOEIZ-BLLLJJGKSA-N 1 0 376.280 2.961 20 0 GFADRO S=C(NCCSc1ccccc1)NCC1([NH+]2CCCC2)CCOCC1 ZINC000729648087 655566430 /nfs/dbraw/zinc/56/64/30/655566430.db2.gz XWOUPJQBSFYQTN-UHFFFAOYSA-N 1 0 379.595 2.888 20 0 GFADRO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)/C=C\c2ccc(Br)o2)CC1 ZINC000730563123 655576466 /nfs/dbraw/zinc/57/64/66/655576466.db2.gz SRPLLPBHDVAZRZ-LYASGUKUSA-N 1 0 396.329 2.684 20 0 GFADRO O=C(COC(=O)c1sccc1SC(F)F)NC1CC[NH+](C2CC2)CC1 ZINC000730661311 655577264 /nfs/dbraw/zinc/57/72/64/655577264.db2.gz HSFPNWWXICQXGO-UHFFFAOYSA-N 1 0 390.477 2.963 20 0 GFADRO COC(=O)c1ccc(Cl)c(S(=O)(=O)NCC[NH+]2[C@@H](C)CCC[C@@H]2C)c1 ZINC000730815179 655578495 /nfs/dbraw/zinc/57/84/95/655578495.db2.gz SRULPKMAFBSUHE-STQMWFEESA-N 1 0 388.917 2.668 20 0 GFADRO C[NH+](C)C1(CNC(=O)c2sccc2S(=O)(=O)C(F)F)CCCCC1 ZINC000730959467 655579661 /nfs/dbraw/zinc/57/96/61/655579661.db2.gz FNEKKMKDXZTMTH-UHFFFAOYSA-N 1 0 380.482 2.739 20 0 GFADRO Cc1c(Cl)cccc1NC(=S)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000731490770 655583853 /nfs/dbraw/zinc/58/38/53/655583853.db2.gz TVXXBNDONRFCAF-UHFFFAOYSA-N 1 0 382.961 2.878 20 0 GFADRO C[C@H](CNC(=O)N1CCC(n2cc(Br)cn2)CC1)[NH+]1CCCCC1 ZINC000731756283 655586619 /nfs/dbraw/zinc/58/66/19/655586619.db2.gz IHCOUMOQALVSDN-CQSZACIVSA-N 1 0 398.349 2.867 20 0 GFADRO O=S(=O)(NCCCCC[NH+]1CCCCC1)c1c(Cl)nc2sccn21 ZINC000732225834 655593546 /nfs/dbraw/zinc/59/35/46/655593546.db2.gz VLCPXYMUSLXPEJ-UHFFFAOYSA-N 1 0 390.962 2.984 20 0 GFADRO CN(C(=O)/C=C/c1ccc(Br)o1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000732564144 655598048 /nfs/dbraw/zinc/59/80/48/655598048.db2.gz OZHSBHXZLLRIRL-CSPWOOARSA-N 1 0 396.329 2.682 20 0 GFADRO CC(C)[C@@H](C[NH+](C)C)NC(=O)[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000733169059 655608724 /nfs/dbraw/zinc/60/87/24/655608724.db2.gz YNVBMTLPEHQIDT-HZPDHXFCSA-N 1 0 396.329 2.504 20 0 GFADRO CO[C@@H](CNC(=S)NC1CC[NH+](Cc2ccccc2)CC1)C(F)(F)F ZINC000733211386 655609428 /nfs/dbraw/zinc/60/94/28/655609428.db2.gz DKBUNIYGJOOGNX-HNNXBMFYSA-N 1 0 375.460 2.692 20 0 GFADRO CNC(=O)C1([NH2+]CC(=O)Nc2ccc(Cl)cc2C(F)(F)F)CCCC1 ZINC000733896348 655622968 /nfs/dbraw/zinc/62/29/68/655622968.db2.gz VSLHPWLZQWDOQV-UHFFFAOYSA-N 1 0 377.794 2.946 20 0 GFADRO COc1ccc(NC(=S)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)cc1Cl ZINC000734308890 655629050 /nfs/dbraw/zinc/62/90/50/655629050.db2.gz KADRSHYWSPEGHQ-OAHLLOKOSA-N 1 0 382.961 2.757 20 0 GFADRO CC[NH+]1CCN(CCNC(=S)Nc2ccc(OC(F)F)c(Cl)c2)CC1 ZINC000735622387 655649888 /nfs/dbraw/zinc/64/98/88/655649888.db2.gz MVNROWWVFDANMA-UHFFFAOYSA-N 1 0 392.903 2.865 20 0 GFADRO C[C@H](CNC(=O)C(=O)Nc1cc(Br)ccc1F)[NH+]1CCCCC1 ZINC000737139282 655669024 /nfs/dbraw/zinc/66/90/24/655669024.db2.gz NLBJDCJRHHGAQS-LLVKDONJSA-N 1 0 386.265 2.517 20 0 GFADRO O=S(=O)(CC[NH2+][C@@H]1CCC[C@H](c2cccc(Cl)c2)C1)N1CCOCC1 ZINC000840728213 661179388 /nfs/dbraw/zinc/17/93/88/661179388.db2.gz UWGXCJZOYMHXAR-FUHWJXTLSA-N 1 0 386.945 2.618 20 0 GFADRO C[NH+](C)CCOC1CCN(C(=O)c2sc(N3CCCC3)nc2Cl)CC1 ZINC000743409141 655728908 /nfs/dbraw/zinc/72/89/08/655728908.db2.gz DINQIDVGXLJCIQ-UHFFFAOYSA-N 1 0 386.949 2.580 20 0 GFADRO C[C@@H](CNC(=O)C(=O)Nc1ccc(F)c(Br)c1)[NH+]1CCCCC1 ZINC000743895593 655732595 /nfs/dbraw/zinc/73/25/95/655732595.db2.gz ROWDKKVVTGXJQB-NSHDSACASA-N 1 0 386.265 2.517 20 0 GFADRO C[C@@H]1CCC[N@@H+]1CCNC(=O)C(=O)Nc1cccc(C2SCCS2)c1 ZINC000743983615 655733601 /nfs/dbraw/zinc/73/36/01/655733601.db2.gz XFZYSGUSGZQLQP-CYBMUJFWSA-N 1 0 379.551 2.704 20 0 GFADRO O=C(Cn1cc(Br)cn1)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000744019378 655734364 /nfs/dbraw/zinc/73/43/64/655734364.db2.gz NILAWXLXNWVHJH-UHFFFAOYSA-N 1 0 383.334 2.807 20 0 GFADRO CCC[N@H+](CC)CCNC(=O)C(=O)Nc1ccc2nc(SC)sc2c1 ZINC000746814360 655767526 /nfs/dbraw/zinc/76/75/26/655767526.db2.gz PKSGTQKJZZPCBK-UHFFFAOYSA-N 1 0 380.539 2.805 20 0 GFADRO Cc1ccc(C(=O)OCC(=O)NC2CC[NH+](C(C)C)CC2)cc1Br ZINC000747047220 655770704 /nfs/dbraw/zinc/77/07/04/655770704.db2.gz HWZAXFWFQBAIIQ-UHFFFAOYSA-N 1 0 397.313 2.903 20 0 GFADRO O=C(CCCOc1cccc(Br)c1)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000747234338 655774652 /nfs/dbraw/zinc/77/46/52/655774652.db2.gz QGMBYSLWTHZINT-NVXWUHKLSA-N 1 0 397.313 2.588 20 0 GFADRO CCc1c(Cl)nc(CS(C)(=O)=O)nc1NC[C@H](CC(C)C)[NH+](C)C ZINC000749093532 655799830 /nfs/dbraw/zinc/79/98/30/655799830.db2.gz WSZWYBMBMGVOJS-LBPRGKRZSA-N 1 0 376.954 2.625 20 0 GFADRO O=S(=O)(NC1CC[NH+](C2CCCC2)CC1)c1c(Cl)nc2sccn21 ZINC000749108463 655800566 /nfs/dbraw/zinc/80/05/66/655800566.db2.gz JAYDSTPKOSKSTD-UHFFFAOYSA-N 1 0 388.946 2.735 20 0 GFADRO COC(=O)[C@@H](c1ccc(Cl)c(Cl)c1)N(C)C[C@H](O)C[NH+]1CCCC1 ZINC000749153170 655801199 /nfs/dbraw/zinc/80/11/99/655801199.db2.gz VJVQSUDHTMIVNL-XJKSGUPXSA-N 1 0 375.296 2.596 20 0 GFADRO CN(CC(=O)Nc1ccccc1Br)c1nccc(N2CCCC2)n1 ZINC000749257617 655802246 /nfs/dbraw/zinc/80/22/46/655802246.db2.gz LICAIPZAHZHMCT-UHFFFAOYSA-N 1 0 390.285 2.914 20 0 GFADRO NC(=O)c1ccccc1NC(=O)C[NH2+]C1(c2ccc(Br)cc2)CC1 ZINC000749397226 655804296 /nfs/dbraw/zinc/80/42/96/655804296.db2.gz XRQQGSUMRWHLGK-UHFFFAOYSA-N 1 0 388.265 2.765 20 0 GFADRO CCC[N@H+](C)C[C@@H]1CCN(Cn2c3cc(Br)ccc3oc2=O)C1 ZINC000749959014 655809625 /nfs/dbraw/zinc/80/96/25/655809625.db2.gz GINGJEYZRIVVBU-ZDUSSCGKSA-N 1 0 382.302 2.978 20 0 GFADRO C[C@H]([NH2+]CC(C)(C)[C@@H]1COCC12OCCO2)c1nc(Br)cs1 ZINC000840798782 661188927 /nfs/dbraw/zinc/18/89/27/661188927.db2.gz XYNHDXWECQYLOH-QWRGUYRKSA-N 1 0 391.331 2.972 20 0 GFADRO O=S(=O)(NC1CCC([NH+]2CCCCC2)CC1)c1cccc2nsnc21 ZINC000751124214 655821802 /nfs/dbraw/zinc/82/18/02/655821802.db2.gz NFPQFJOBLHXQSX-UHFFFAOYSA-N 1 0 380.539 2.767 20 0 GFADRO C[C@@H]1CN(C(C)(C)C[NH2+]C[C@H](O)c2ccccc2Br)C[C@H](C)O1 ZINC000751570174 655831106 /nfs/dbraw/zinc/83/11/06/655831106.db2.gz MAJUGXPFSQHANO-VBQJREDUSA-N 1 0 385.346 2.960 20 0 GFADRO CS(=O)(=O)Cc1ccc(C[NH2+]C[C@@H](O)c2ccccc2Br)cc1 ZINC000751574238 655831134 /nfs/dbraw/zinc/83/11/34/655831134.db2.gz HNLTWHZEGBTSHE-QGZVFWFLSA-N 1 0 398.322 2.817 20 0 GFADRO C[NH+]1CCC2(CCN2C(=O)Cc2ccc(I)cc2)CC1 ZINC000754248472 655865578 /nfs/dbraw/zinc/86/55/78/655865578.db2.gz XEVHORWXZAWGMR-UHFFFAOYSA-N 1 0 384.261 2.530 20 0 GFADRO C[NH+](C)C[C@H]1CN(C(=O)c2scnc2Br)c2ccccc2O1 ZINC000754357010 655866865 /nfs/dbraw/zinc/86/68/65/655866865.db2.gz CHWFAPGHCXIHRQ-JTQLQIEISA-N 1 0 382.283 2.875 20 0 GFADRO OCC[C@H]([NH2+]C[C@H](O)COc1ccc(Br)cc1)c1cccs1 ZINC000754385206 655867136 /nfs/dbraw/zinc/86/71/36/655867136.db2.gz NYTIRUNNNOCFDF-ZFWWWQNUSA-N 1 0 386.311 2.964 20 0 GFADRO COC(=O)c1c(C)c(C)sc1NC(=O)C[NH2+][C@@H](CCO)c1cccs1 ZINC000754385898 655867152 /nfs/dbraw/zinc/86/71/52/655867152.db2.gz JMGMBAMVQGRXQD-LBPRGKRZSA-N 1 0 382.507 2.865 20 0 GFADRO O=S(=O)(CC[NH2+][C@H](c1ccc(Br)cc1)[C@@H]1CCCO1)C1CC1 ZINC000840884660 661198646 /nfs/dbraw/zinc/19/86/46/661198646.db2.gz RZHJEWIVMISETJ-JKSUJKDBSA-N 1 0 388.327 2.836 20 0 GFADRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)Nc1cc2c(cc1Br)OCCO2 ZINC000755446506 655883577 /nfs/dbraw/zinc/88/35/77/655883577.db2.gz OXSIPGCIKWDIDQ-GHMZBOCLSA-N 1 0 384.274 2.777 20 0 GFADRO C[NH+]1CCC([C@H]2CCN(CN3C(=S)N=NC3Cc3cccs3)C2)CC1 ZINC000755776864 655888811 /nfs/dbraw/zinc/88/88/11/655888811.db2.gz DFIDEQUBKGUKBD-HNNXBMFYSA-N 1 0 377.583 2.840 20 0 GFADRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)Nc1ccc(I)cc1 ZINC000757793268 655916788 /nfs/dbraw/zinc/91/67/88/655916788.db2.gz IEYGDOCPPNTYJR-QMTHXVAHSA-N 1 0 385.249 2.895 20 0 GFADRO C[NH+](C)CCOc1ccccc1CNC(=O)c1scnc1Br ZINC000757925988 655918651 /nfs/dbraw/zinc/91/86/51/655918651.db2.gz ZTBDBOROESHMDK-UHFFFAOYSA-N 1 0 384.299 2.776 20 0 GFADRO CC[C@H]([NH2+]C[C@@H](O)c1ccc(Cl)c(F)c1)c1cccc(S(N)(=O)=O)c1 ZINC000759864177 655965283 /nfs/dbraw/zinc/96/52/83/655965283.db2.gz FADUGTKBXPDVHG-DLBZAZTESA-N 1 0 386.876 2.901 20 0 GFADRO CC[N@@H+]1CC[C@@H](CNC(=O)Nc2cccc(F)c2I)C1 ZINC000760003737 655967397 /nfs/dbraw/zinc/96/73/97/655967397.db2.gz MNWXLHIYQRIAJI-JTQLQIEISA-N 1 0 391.228 2.894 20 0 GFADRO C[NH+](C)CCOCCNC(=O)Nc1cc2ccccc2nc1Br ZINC000760152706 655970227 /nfs/dbraw/zinc/97/02/27/655970227.db2.gz JRNRRIOYPGSTPU-UHFFFAOYSA-N 1 0 381.274 2.697 20 0 GFADRO C[NH+](C)C1(CN2C(=O)N[C@](C)(c3cccc(Br)c3)C2=O)CCC1 ZINC000761349386 656012835 /nfs/dbraw/zinc/01/28/35/656012835.db2.gz FZRDBDXYVHITFV-MRXNPFEDSA-N 1 0 380.286 2.700 20 0 GFADRO S=C(NC[C@@H]1CCCCO1)NC[C@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000761506232 656017037 /nfs/dbraw/zinc/01/70/37/656017037.db2.gz WGCWMKBOADFZPU-ROUUACIJSA-N 1 0 379.595 2.637 20 0 GFADRO CCCn1ccnc1CCC[N@H+](C)Cn1cc(I)cn1 ZINC000762078423 656030519 /nfs/dbraw/zinc/03/05/19/656030519.db2.gz YKRZYEPMRLFFQC-UHFFFAOYSA-N 1 0 387.269 2.616 20 0 GFADRO C[C@@H]1C[C@H](N2C(=O)N[C@@H](c3ccc(Br)cc3)C2=O)C[N@@H+]1C1CC1 ZINC000762096360 656031191 /nfs/dbraw/zinc/03/11/91/656031191.db2.gz HMMITANDMRTSSH-ONERCXAPSA-N 1 0 378.270 2.667 20 0 GFADRO C[NH+](C)CCOc1cc(CNC(=O)/C=C/c2ccc(Br)o2)ccn1 ZINC000762728117 656057280 /nfs/dbraw/zinc/05/72/80/656057280.db2.gz FEFROIXRVSGQNU-GQCTYLIASA-N 1 0 394.269 2.707 20 0 GFADRO O=C(C[NH2+][C@H](CO)C1CC1)N1N=C(c2cccs2)C[C@H]1c1cccs1 ZINC000763072973 656070664 /nfs/dbraw/zinc/07/06/64/656070664.db2.gz VYGYTKNSSOJSIX-CABCVRRESA-N 1 0 375.519 2.848 20 0 GFADRO CC(C)(C)OC(=O)Nc1ncc(C[NH2+]CCC(C)(C)S(C)(=O)=O)s1 ZINC000840960012 661220379 /nfs/dbraw/zinc/22/03/79/661220379.db2.gz AXTVAOKCQBQBGV-UHFFFAOYSA-N 1 0 377.532 2.793 20 0 GFADRO C[C@@H](Cc1ccc(F)c(Br)c1)NC(=S)NCCC[NH+](C)C ZINC000764490148 656111967 /nfs/dbraw/zinc/11/19/67/656111967.db2.gz OZEUJEIVCVMQNV-NSHDSACASA-N 1 0 376.339 2.935 20 0 GFADRO COCCOC[C@@H](C)[NH2+][C@@H]1CCN(c2ccc(Br)c(C)c2)C1=O ZINC000764940995 656123852 /nfs/dbraw/zinc/12/38/52/656123852.db2.gz RXSDTUCCLBHRSS-CZUORRHYSA-N 1 0 385.302 2.504 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)Nc1cc2c(cc1Br)OCCO2 ZINC000841014600 661227007 /nfs/dbraw/zinc/22/70/07/661227007.db2.gz GYSFNBJJRGZMGU-MFKMUULPSA-N 1 0 384.274 2.954 20 0 GFADRO O=C(NCCC[C@H]1CCC[NH2+]1)Nc1cc2c(cc1Br)OCCO2 ZINC000841015072 661227779 /nfs/dbraw/zinc/22/77/79/661227779.db2.gz KAANBXHJWWYLEL-LLVKDONJSA-N 1 0 384.274 2.874 20 0 GFADRO O=S(=O)(CC[NH2+]CC1=Cc2cc(Br)ccc2OC1)CC1CC1 ZINC000765276629 656139198 /nfs/dbraw/zinc/13/91/98/656139198.db2.gz MAQYOQQYPLYFRA-UHFFFAOYSA-N 1 0 386.311 2.639 20 0 GFADRO NC(=O)COc1ccc(C[NH2+][C@@H]2CCOc3c(Br)cccc32)cc1 ZINC000765406952 656142018 /nfs/dbraw/zinc/14/20/18/656142018.db2.gz YEYBUDJLMNAJSN-MRXNPFEDSA-N 1 0 391.265 2.927 20 0 GFADRO CN(C(=O)c1cc(=O)c2cc(Br)ccc2o1)C1CC[NH+](C)CC1 ZINC000841051063 661230126 /nfs/dbraw/zinc/23/01/26/661230126.db2.gz NLFGTYDQZBBGIW-UHFFFAOYSA-N 1 0 379.254 2.722 20 0 GFADRO CS[C@H]1CC[C@@H](NC(=O)C(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)C1 ZINC000841051884 661230179 /nfs/dbraw/zinc/23/01/79/661230179.db2.gz ZOKCRSCOVZZKBF-YPMHNXCESA-N 1 0 375.416 2.503 20 0 GFADRO NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)C3SCCCS3)cc2)C1 ZINC000841096528 661232199 /nfs/dbraw/zinc/23/21/99/661232199.db2.gz WXTQZDXHTYNGHY-CQSZACIVSA-N 1 0 379.551 2.519 20 0 GFADRO CCC[C@@H]1CN(C(=O)N[C@@H]2CC[C@H]3SCCS[C@H]23)CC[N@@H+]1CCOC ZINC000766824251 656184796 /nfs/dbraw/zinc/18/47/96/656184796.db2.gz JFWSIZWOVKUIMB-QBPKDAKJSA-N 1 0 387.615 2.508 20 0 GFADRO Cc1nc(Br)sc1C(=O)Nc1cc(C(N)=O)ccc1C[NH+](C)C ZINC000841123352 661235076 /nfs/dbraw/zinc/23/50/76/661235076.db2.gz RIQWJWYLLXIRPC-UHFFFAOYSA-N 1 0 397.298 2.627 20 0 GFADRO CC1(C)CCC[N@H+](CCNS(=O)(=O)c2ccc3nc(Cl)cnc3c2)C1 ZINC000767637137 656212247 /nfs/dbraw/zinc/21/22/47/656212247.db2.gz HUZDICXSFUBHDA-UHFFFAOYSA-N 1 0 382.917 2.684 20 0 GFADRO [NH3+]CC1CCN(C(=O)C(=O)Nc2ccc3cc(Br)ccc3c2)CC1 ZINC000841150215 661238779 /nfs/dbraw/zinc/23/87/79/661238779.db2.gz TUVLEVAJJZIFCY-UHFFFAOYSA-N 1 0 390.281 2.738 20 0 GFADRO O=S(=O)(/C=C\c1cccc(Cl)c1)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000768826574 656253026 /nfs/dbraw/zinc/25/30/26/656253026.db2.gz GBRBEMKZNXYAJU-JBMKGCFVSA-N 1 0 384.929 2.827 20 0 GFADRO Cc1cc(Br)c(F)cc1NC(=O)C(=O)N(C)C1CCC([NH3+])CC1 ZINC000841190075 661243203 /nfs/dbraw/zinc/24/32/03/661243203.db2.gz ZTPBHPALSSEDAK-UHFFFAOYSA-N 1 0 386.265 2.563 20 0 GFADRO C[N@H+](CCOC(=O)CCn1cc(Br)cn1)Cc1ccc(F)cc1 ZINC000769086614 656264748 /nfs/dbraw/zinc/26/47/48/656264748.db2.gz IFBVSPOAGJZNFH-UHFFFAOYSA-N 1 0 384.249 2.850 20 0 GFADRO C[C@@H](CC[NH3+])NC(=O)C(=O)Nc1ccccc1SC[C@H]1CC1(Cl)Cl ZINC000841204255 661243969 /nfs/dbraw/zinc/24/39/69/661243969.db2.gz SGNVEQUGDGWWFB-WDEREUQCSA-N 1 0 390.336 2.765 20 0 GFADRO C[N@H+](CCOC(=O)c1ccnc(Br)c1N)Cc1ccc(F)cc1 ZINC000769121302 656265832 /nfs/dbraw/zinc/26/58/32/656265832.db2.gz GGWNANWPDKXYPF-UHFFFAOYSA-N 1 0 382.233 2.854 20 0 GFADRO C[N@@H+]1CCC[C@@H](N2CCN(Cc3ccccc3I)CC2)C1 ZINC000769380438 656272893 /nfs/dbraw/zinc/27/28/93/656272893.db2.gz IWXJTBXNWDUOPS-MRXNPFEDSA-N 1 0 399.320 2.503 20 0 GFADRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)Nc1cccc(Cl)c1SC(F)F ZINC000841216210 661244982 /nfs/dbraw/zinc/24/49/82/661244982.db2.gz FPPLOLGSUHGPFA-LDYMZIIASA-N 1 0 377.844 2.707 20 0 GFADRO CSC1(CNC(=O)c2sc(Br)nc2C)CC[NH+](C)CC1 ZINC000841238748 661247363 /nfs/dbraw/zinc/24/73/63/661247363.db2.gz SWSJNVQSHFNRQE-UHFFFAOYSA-N 1 0 378.361 2.771 20 0 GFADRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)Nc1cc(C(F)(F)F)cc(Br)n1 ZINC000841242571 661248301 /nfs/dbraw/zinc/24/83/01/661248301.db2.gz YLSVADLLEAKKRM-CBAPKCEASA-N 1 0 381.196 2.982 20 0 GFADRO CC(C)(C)Sc1ccc(NC(=O)C(=O)N[C@H](CC[NH3+])C(F)(F)F)cc1 ZINC000841261964 661250206 /nfs/dbraw/zinc/25/02/06/661250206.db2.gz LZRTYEDHNWJGAY-GFCCVEGCSA-N 1 0 377.432 2.912 20 0 GFADRO Cc1nc(Br)ccc1NC(=O)C(=O)NCC[NH2+]C1CCCCCC1 ZINC000841184502 661242277 /nfs/dbraw/zinc/24/22/77/661242277.db2.gz WREMZHGOUNNRGN-UHFFFAOYSA-N 1 0 397.317 2.520 20 0 GFADRO CN(CC[N@H+](C)C1CC1)C(=O)Nc1cc2c(cc1Br)OCCO2 ZINC000771095292 656340297 /nfs/dbraw/zinc/34/02/97/656340297.db2.gz XQHUAESLCYJLMP-UHFFFAOYSA-N 1 0 384.274 2.778 20 0 GFADRO OCC[C@H]([NH2+]C[C@@H](O)COc1ccc(Cl)cc1Br)C1CC1 ZINC000771805229 656362817 /nfs/dbraw/zinc/36/28/17/656362817.db2.gz YNQMPOTUUNAGHG-OCCSQVGLSA-N 1 0 378.694 2.593 20 0 GFADRO Cc1n[nH]c(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)c1Br ZINC000771824710 656363101 /nfs/dbraw/zinc/36/31/01/656363101.db2.gz RDYXCDJOFBUMQT-UHFFFAOYSA-N 1 0 378.274 2.522 20 0 GFADRO C[C@H]1C[C@H](NC(=O)c2cc(=O)c3cc(Br)ccc3o2)CC[N@@H+]1C ZINC000841397667 661260134 /nfs/dbraw/zinc/26/01/34/661260134.db2.gz QGACYFKHBMJRQG-CMPLNLGQSA-N 1 0 379.254 2.768 20 0 GFADRO C[NH+](C)C[C@H]1CCCN1C(=O)c1cnn(-c2ccccc2)c1Br ZINC000772749156 656388207 /nfs/dbraw/zinc/38/82/07/656388207.db2.gz NEGABTSMKKGTCI-CQSZACIVSA-N 1 0 377.286 2.801 20 0 GFADRO Cc1ccsc1CC[NH2+]Cc1c(C)nn([C@@H]2CCS(=O)(=O)C2)c1Cl ZINC000773407765 656444697 /nfs/dbraw/zinc/44/46/97/656444697.db2.gz CQUQEEZVTMNJAL-CYBMUJFWSA-N 1 0 387.958 2.907 20 0 GFADRO O=C(NCc1cnc(Br)cn1)c1cccc(C[NH+]2CCCC2)c1 ZINC000773510869 656454902 /nfs/dbraw/zinc/45/49/02/656454902.db2.gz WZZMIBXAMKJVOM-UHFFFAOYSA-N 1 0 375.270 2.765 20 0 GFADRO O=C(NC[C@H]1C[N@@H+]2CCN1CCC2)c1ccc(C2SCCCS2)cc1 ZINC000773530417 656457309 /nfs/dbraw/zinc/45/73/09/656457309.db2.gz LFKBSSWSGMZBOL-KRWDZBQOSA-N 1 0 377.579 2.675 20 0 GFADRO CC[C@H]1C[N@H+](C)CCCN1C(=O)C[C@@](O)(c1nc(C)cs1)C(F)(F)F ZINC000774187734 656500901 /nfs/dbraw/zinc/50/09/01/656500901.db2.gz LLCJCOZAPYCMEQ-SWLSCSKDSA-N 1 0 379.448 2.534 20 0 GFADRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)Nc1cccnc1Br ZINC000774251516 656509174 /nfs/dbraw/zinc/50/91/74/656509174.db2.gz LQXJIHNDOGXDHQ-CYBMUJFWSA-N 1 0 397.317 2.553 20 0 GFADRO C[C@H]([NH2+][C@@H](C)[C@@H](O)c1c(F)cccc1Cl)c1cccc(S(N)(=O)=O)c1 ZINC000774460258 656529558 /nfs/dbraw/zinc/52/95/58/656529558.db2.gz NFOAVANFMLFYJK-PSVSLLHZSA-N 1 0 386.876 2.899 20 0 GFADRO C[C@@H]([NH2+]CCCN1CCOC1=O)c1cc2c(cc1Br)OCCO2 ZINC000775187287 656611636 /nfs/dbraw/zinc/61/16/36/656611636.db2.gz NEUNRRJSSJEVMS-LLVKDONJSA-N 1 0 385.258 2.713 20 0 GFADRO CC(C)C[C@H](O)C[NH2+][C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000775498133 656643450 /nfs/dbraw/zinc/64/34/50/656643450.db2.gz XEIBKCCHMGTJQJ-JSGCOSHPSA-N 1 0 376.316 2.664 20 0 GFADRO Cc1cnc(Br)cc1NC(=O)NCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000776049111 656707759 /nfs/dbraw/zinc/70/77/59/656707759.db2.gz LHILQKCPNWFBSC-STQMWFEESA-N 1 0 385.306 2.773 20 0 GFADRO C[N@H+]1CC=C(CNC(=O)C(=O)Nc2cccc(Cl)c2SC(F)F)CC1 ZINC000776068207 656710421 /nfs/dbraw/zinc/71/04/21/656710421.db2.gz HWUFGAKILUWZKN-UHFFFAOYSA-N 1 0 389.855 2.971 20 0 GFADRO CS[C@@H]1CN(C(=O)c2scnc2Br)C[C@H]1[NH+]1CCCC1 ZINC000776211866 656720803 /nfs/dbraw/zinc/72/08/03/656720803.db2.gz PNTDQODURGRJLE-NXEZZACHSA-N 1 0 376.345 2.557 20 0 GFADRO CS[C@H]1CN(Cc2ccc(S(=O)(=O)C(F)F)cc2)C[C@@H]1[NH+]1CCCC1 ZINC000776485304 656746653 /nfs/dbraw/zinc/74/66/53/656746653.db2.gz QGMUOGPFLVRQCZ-HOTGVXAUSA-N 1 0 390.521 2.695 20 0 GFADRO Cc1ccccc1C[N@@H+]1CCCN(C(=O)COC(=O)C(C)(Cl)Cl)CC1 ZINC000777218607 656814357 /nfs/dbraw/zinc/81/43/57/656814357.db2.gz JFFMYPVPXBMGMS-UHFFFAOYSA-N 1 0 387.307 2.766 20 0 GFADRO NC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(N[C@@H]2CC[C@H]3SCCS[C@H]23)c1 ZINC000777239344 656815460 /nfs/dbraw/zinc/81/54/60/656815460.db2.gz STTHMFZDPHTVLI-XMTFNYHQSA-N 1 0 377.579 2.928 20 0 GFADRO CS(=O)(=O)N(CC(F)(F)F)C1CC[NH+](Cc2ccc(CF)cc2)CC1 ZINC000777581979 656829331 /nfs/dbraw/zinc/82/93/31/656829331.db2.gz IGFHYTIJQOXAHL-UHFFFAOYSA-N 1 0 382.423 2.944 20 0 GFADRO C[NH+](C)CCOc1ccc(CCNC(=O)c2nc(Br)cs2)cc1 ZINC000779768080 656941338 /nfs/dbraw/zinc/94/13/38/656941338.db2.gz UOEGVRLEKXZKLU-UHFFFAOYSA-N 1 0 398.326 2.819 20 0 GFADRO NC(=O)[C@@H]1CCCC[C@@H]1[NH2+]Cc1nnc(-c2ccc(Br)s2)o1 ZINC000782536436 657155784 /nfs/dbraw/zinc/15/57/84/657155784.db2.gz ZXYDNEZJYHWFSW-BDAKNGLRSA-N 1 0 385.287 2.694 20 0 GFADRO CCOC(=O)c1nn(CN2CC[N@H+](C)C[C@@H]2c2ccccc2)c(=S)s1 ZINC000782807058 657182299 /nfs/dbraw/zinc/18/22/99/657182299.db2.gz STXXSSFTYDZOAW-CQSZACIVSA-N 1 0 378.523 2.797 20 0 GFADRO CS(=O)(=O)Nc1ccc(N2CC[NH+](CCCc3ccsc3)CC2)cc1 ZINC000782958938 657196832 /nfs/dbraw/zinc/19/68/32/657196832.db2.gz IVXHKLYPWDSJSI-UHFFFAOYSA-N 1 0 379.551 2.874 20 0 GFADRO COc1cc([C@@H](C)[NH2+]CC2(N(C)C)CCC2)ccc1S(=O)(=O)C(F)F ZINC000783315488 657220890 /nfs/dbraw/zinc/22/08/90/657220890.db2.gz XLSNWEBLQPSZMB-GFCCVEGCSA-N 1 0 376.469 2.826 20 0 GFADRO FC(F)(F)Oc1cccc(NC(=S)NCCCC[NH+]2CCOCC2)c1 ZINC000783727131 657255327 /nfs/dbraw/zinc/25/53/27/657255327.db2.gz OAEBJCVQJJPZKW-UHFFFAOYSA-N 1 0 377.432 2.984 20 0 GFADRO C[C@@H]1CCC[N@@H+]1CCNC(=O)[C@@H]1CCN(c2cc(Cl)ccc2Cl)C1=O ZINC000783918222 657273260 /nfs/dbraw/zinc/27/32/60/657273260.db2.gz GHDJZIUJGYSQOP-OCCSQVGLSA-N 1 0 384.307 2.947 20 0 GFADRO O[C@H](C[NH2+]C[C@H](O)c1ccccc1)COc1cc(F)cc(Br)c1 ZINC000783962116 657277854 /nfs/dbraw/zinc/27/78/54/657277854.db2.gz RQMMKDXVCHJLHI-WBVHZDCISA-N 1 0 384.245 2.651 20 0 GFADRO COC(=O)c1ccc(CNC(=O)C2CC[NH+](C3CC3)CC2)c(Br)c1 ZINC000785019062 657336004 /nfs/dbraw/zinc/33/60/04/657336004.db2.gz RNAMTUFLCZLEEY-UHFFFAOYSA-N 1 0 395.297 2.726 20 0 GFADRO Cn1nc(Br)cc1C[NH2+]C1CCN(C(=O)c2ccccc2F)CC1 ZINC000785417821 657363523 /nfs/dbraw/zinc/36/35/23/657363523.db2.gz MKBNGFURMNXUJS-UHFFFAOYSA-N 1 0 395.276 2.716 20 0 GFADRO Cc1ccc(C(=O)N2CCC([NH2+]Cc3cc(Br)nn3C)CC2)cc1 ZINC000785448070 657365203 /nfs/dbraw/zinc/36/52/03/657365203.db2.gz SIHMCZPGRQOFPG-UHFFFAOYSA-N 1 0 391.313 2.885 20 0 GFADRO Cn1nc(Br)cc1C[NH2+][C@H](Cc1ccccc1)[C@@H](O)C(F)(F)F ZINC000785471547 657366531 /nfs/dbraw/zinc/36/65/31/657366531.db2.gz VNDLVBZARYEWTK-TZMCWYRMSA-N 1 0 392.219 2.807 20 0 GFADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1Cc1c(Cl)n(C)nc1C(F)(F)F ZINC000785975648 657398274 /nfs/dbraw/zinc/39/82/74/657398274.db2.gz UTYLTFONTJRZAX-NSHDSACASA-N 1 0 380.842 2.777 20 0 GFADRO CC[NH+](CC)[C@H](CNC(=O)C(=O)N[C@@H]1CC[C@@H](SC)C1)c1ccsc1 ZINC000787614467 657576368 /nfs/dbraw/zinc/57/63/68/657576368.db2.gz DUPVCMRMSCFDNU-BZUAXINKSA-N 1 0 383.583 2.648 20 0 GFADRO COc1cc(C(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)cnc1Br ZINC000788175431 657667274 /nfs/dbraw/zinc/66/72/74/657667274.db2.gz OJBGVOQWMXCYNL-OAHLLOKOSA-N 1 0 392.297 2.755 20 0 GFADRO COc1cc(C(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)cnc1Br ZINC000788207206 657671601 /nfs/dbraw/zinc/67/16/01/657671601.db2.gz PUXMEGHMKVBKKD-AWEZNQCLSA-N 1 0 382.302 2.943 20 0 GFADRO O=S1(=O)CCCN1[C@H]1CCC[N@H+](Cn2ccc(=S)c3ccccc32)C1 ZINC000788387711 657706927 /nfs/dbraw/zinc/70/69/27/657706927.db2.gz OULITIXABRCUGV-HNNXBMFYSA-N 1 0 377.535 2.828 20 0 GFADRO CC(C)C[C@H](CNC(=O)OC(C)(C)C)[NH2+][C@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000788594539 657749559 /nfs/dbraw/zinc/74/95/59/657749559.db2.gz VZBNKCHKQLEODZ-XHSDSOJGSA-N 1 0 376.563 2.871 20 0 GFADRO COC(=O)c1sc(S(=O)(=O)NCC[N@H+](C)C2CCCC2)c(C)c1Cl ZINC000788617363 657753702 /nfs/dbraw/zinc/75/37/02/657753702.db2.gz FYCFDDYZQJWVNI-UHFFFAOYSA-N 1 0 394.946 2.649 20 0 GFADRO COC(=O)c1sc(S(=O)(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)c(C)c1Cl ZINC000788651343 657761786 /nfs/dbraw/zinc/76/17/86/657761786.db2.gz YBKBMELXXRMCLD-JTQLQIEISA-N 1 0 396.962 2.751 20 0 GFADRO CC[NH+]1CCN(Cc2ccc(CNC(=O)c3nc(Cl)cs3)cc2)CC1 ZINC000789897689 657898969 /nfs/dbraw/zinc/89/89/69/657898969.db2.gz PBUXRWXFGOTTGH-UHFFFAOYSA-N 1 0 378.929 2.864 20 0 GFADRO COC(=O)c1c2cnn(C[N@@H+]3CC[C@@H](C)[C@@H](OC)C3)c2ccc1Br ZINC000790441070 657977773 /nfs/dbraw/zinc/97/77/73/657977773.db2.gz BEEXZDLYZVCNNS-ABAIWWIYSA-N 1 0 396.285 2.900 20 0 GFADRO COCC[N@H+](Cn1nc(C(=O)OC)c(Br)c1C)[C@@H]1CC[C@H](C)C1 ZINC000790480307 657991431 /nfs/dbraw/zinc/99/14/31/657991431.db2.gz SKYJKNYDSIWZPA-WCQYABFASA-N 1 0 388.306 2.835 20 0 GFADRO NC(=O)COc1ccc(C[NH2+][C@@H](c2cncc(Br)c2)C2CC2)cc1 ZINC000790622641 658003542 /nfs/dbraw/zinc/00/35/42/658003542.db2.gz LGZWQQVKESXXPO-GOSISDBHSA-N 1 0 390.281 2.949 20 0 GFADRO CC(C)[C@@H](C[NH+](C)C)NC(=O)c1nc(Br)ccc1Br ZINC000790632678 658005008 /nfs/dbraw/zinc/00/50/08/658005008.db2.gz AATZARVTUZLHKW-SNVBAGLBSA-N 1 0 393.123 2.923 20 0 GFADRO CC[NH+](CC)C[C@H](C)NS(=O)(=O)c1cc(C(=O)OC)c(Cl)cc1Cl ZINC000790881211 658039955 /nfs/dbraw/zinc/03/99/55/658039955.db2.gz ZTSMAVGVLRMUGR-JTQLQIEISA-N 1 0 397.324 2.789 20 0 GFADRO Nc1nc(N2CCC[C@H](OC(=O)c3ccc(Br)cc3)C2)cc[nH+]1 ZINC000791107211 658060125 /nfs/dbraw/zinc/06/01/25/658060125.db2.gz KDOHGXJCVZVOSN-ZDUSSCGKSA-N 1 0 377.242 2.647 20 0 GFADRO COC(=O)[C@H](c1ccc(Cl)c(Cl)c1)N1CC[NH+](CCCCO)CC1 ZINC000792253643 658257615 /nfs/dbraw/zinc/25/76/15/658257615.db2.gz GOKLCPFMUGBGKN-INIZCTEOSA-N 1 0 375.296 2.598 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)CN1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl)c1ccccc1 ZINC000792911136 658329952 /nfs/dbraw/zinc/32/99/52/658329952.db2.gz QGRHLGQUYDARKT-NUJGCVRESA-N 1 0 384.351 2.921 20 0 GFADRO CC(C)(C)OC(=O)NCC[C@@H](O)C[NH2+]Cc1ccc(F)cc1Br ZINC000792958978 658335195 /nfs/dbraw/zinc/33/51/95/658335195.db2.gz KQGFMXVEGOYHJC-CYBMUJFWSA-N 1 0 391.281 2.954 20 0 GFADRO C[C@H](CCc1ccc(I)cc1)[NH2+]CC1(C)OCCO1 ZINC000793030677 658349119 /nfs/dbraw/zinc/34/91/19/658349119.db2.gz YGBXPWVIALNHBR-GFCCVEGCSA-N 1 0 375.250 2.965 20 0 GFADRO COCC[N@@H+]1CCC[C@H](NC(=O)Cc2sc(SC(F)F)nc2C)C1 ZINC000793443348 658397228 /nfs/dbraw/zinc/39/72/28/658397228.db2.gz HCAJGAUSVVOQBQ-NSHDSACASA-N 1 0 379.498 2.536 20 0 GFADRO CN1CC[NH+](CC2(C)CCN(Cc3cccc(Br)n3)CC2)CC1 ZINC000794487217 658551250 /nfs/dbraw/zinc/55/12/50/658551250.db2.gz HXQHLHCENLTKNW-UHFFFAOYSA-N 1 0 381.362 2.694 20 0 GFADRO C[C@H]([NH2+]C1CCC(C)(O)CC1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000794799910 658614845 /nfs/dbraw/zinc/61/48/45/658614845.db2.gz AGSUFZOBACBGHV-YLTRJXTNSA-N 1 0 381.325 2.985 20 0 GFADRO CCNS(=O)(=O)CC[NH2+][C@@H]1C[C@@H](C)CCc2ccc(Br)cc21 ZINC000794808686 658617046 /nfs/dbraw/zinc/61/70/46/658617046.db2.gz BOVGJDUDKAFEBP-BLLLJJGKSA-N 1 0 389.359 2.992 20 0 GFADRO C[C@@H](CCO)[NH2+]C[C@H]1CCCN1Cc1ccc(I)cc1 ZINC000794842651 658623503 /nfs/dbraw/zinc/62/35/03/658623503.db2.gz RSDQEONEZCJJDC-XJKSGUPXSA-N 1 0 388.293 2.616 20 0 GFADRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1Cn1nc(Br)c(=O)c2ccccc21 ZINC000795705035 658842928 /nfs/dbraw/zinc/84/29/28/658842928.db2.gz INAMJJBXPCEFQQ-UONOGXRCSA-N 1 0 391.313 2.675 20 0 GFADRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1Cn1c2ccc(Br)cc2oc1=O ZINC000795707640 658843478 /nfs/dbraw/zinc/84/34/78/658843478.db2.gz OHVRPAYJZKABFY-JSGCOSHPSA-N 1 0 380.286 2.873 20 0 GFADRO CCCN(CC[NH+]1CCCCC1)S(=O)(=O)c1c(Cl)nc2sccn21 ZINC000796126158 658894367 /nfs/dbraw/zinc/89/43/67/658894367.db2.gz NTWALVMAFCSRHJ-UHFFFAOYSA-N 1 0 390.962 2.936 20 0 GFADRO O=S1(=O)CCC(CC[NH2+]Cc2c(Cl)nc3cc(Cl)ccn32)CC1 ZINC000796343375 658913701 /nfs/dbraw/zinc/91/37/01/658913701.db2.gz ATHOJJAIFLOEMS-UHFFFAOYSA-N 1 0 376.309 2.946 20 0 GFADRO COC(=O)N1CCC(C[NH2+]Cc2cnc3c(C)cc(Br)cn23)CC1 ZINC000796510317 658920799 /nfs/dbraw/zinc/92/07/99/658920799.db2.gz MLWQFADKHDWNEP-UHFFFAOYSA-N 1 0 395.301 2.973 20 0 GFADRO CS(=O)(=O)C1(C[NH2+]Cc2ccccc2I)CCCC1 ZINC000796515226 658921248 /nfs/dbraw/zinc/92/12/48/658921248.db2.gz QGFCQMDGYXDWQR-UHFFFAOYSA-N 1 0 393.290 2.738 20 0 GFADRO O=C1OCCN1CC[NH2+][C@@H](CO)c1ccc(Br)cc1C(F)(F)F ZINC000796572103 658923385 /nfs/dbraw/zinc/92/33/85/658923385.db2.gz FKWFQYQUMNLFEE-LBPRGKRZSA-N 1 0 397.191 2.543 20 0 GFADRO O=C1OCCN1CC[NH2+][C@H](CO)c1ccc(Br)cc1C(F)(F)F ZINC000796572102 658923563 /nfs/dbraw/zinc/92/35/63/658923563.db2.gz FKWFQYQUMNLFEE-GFCCVEGCSA-N 1 0 397.191 2.543 20 0 GFADRO Cc1cc(S(=O)(=O)NCC[NH2+][C@H]2CCc3ccc(Cl)nc32)c(C)s1 ZINC000798182788 659080140 /nfs/dbraw/zinc/08/01/40/659080140.db2.gz VMSUSAHORPEIJY-ZDUSSCGKSA-N 1 0 385.942 2.969 20 0 GFADRO C[NH+]1CCC2(CCCN(S(=O)(=O)c3ccc(C(F)(F)F)cn3)C2)CC1 ZINC000798466726 659109551 /nfs/dbraw/zinc/10/95/51/659109551.db2.gz RKETYOFRPQVDJX-UHFFFAOYSA-N 1 0 377.432 2.597 20 0 GFADRO CC(C)(C)OC(=O)N1CC[C@@](C)(C[NH2+]Cc2ccc(S(C)(=O)=O)s2)C1 ZINC000798953162 659158183 /nfs/dbraw/zinc/15/81/83/659158183.db2.gz FXAOHSWSASYOLZ-KRWDZBQOSA-N 1 0 388.555 2.888 20 0 GFADRO Cc1cc(C[NH2+]CCNS(=O)(=O)c2ccc(Cl)cc2F)cnc1Cl ZINC000799344723 659183122 /nfs/dbraw/zinc/18/31/22/659183122.db2.gz GOALPCBMDCDEKY-UHFFFAOYSA-N 1 0 392.283 2.904 20 0 GFADRO CC[NH+](CC)CCCOC(=O)CNC(=O)c1ccc(Br)s1 ZINC000800142514 659276582 /nfs/dbraw/zinc/27/65/82/659276582.db2.gz WZHSAUUVYCGSFW-UHFFFAOYSA-N 1 0 377.304 2.516 20 0 GFADRO O=C(OCCC[NH+]1CCCCC1)c1ccc(CS(=O)(=O)C(F)F)cc1 ZINC000800183426 659287635 /nfs/dbraw/zinc/28/76/35/659287635.db2.gz UTTUEOBCOYYMPB-UHFFFAOYSA-N 1 0 375.437 2.857 20 0 GFADRO Cc1nn(C)c(Br)c1C(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000800937708 659354149 /nfs/dbraw/zinc/35/41/49/659354149.db2.gz RGINZGZRFOFHJC-WCQYABFASA-N 1 0 383.334 2.874 20 0 GFADRO Cc1nn(C)c(Br)c1C(=O)NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000801086154 659366861 /nfs/dbraw/zinc/36/68/61/659366861.db2.gz RRYCBRACEUILOX-CHWSQXEVSA-N 1 0 385.350 2.979 20 0 GFADRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)NC[C@@H](O)c1cccc(Br)c1 ZINC000801750318 659422760 /nfs/dbraw/zinc/42/27/60/659422760.db2.gz QECOXTDKMSOKNP-HZPDHXFCSA-N 1 0 384.318 2.656 20 0 GFADRO COc1ccc([C@@H](C[NH+](C)C)NC(=O)c2nc(Br)cs2)cc1 ZINC000803810560 659606504 /nfs/dbraw/zinc/60/65/04/659606504.db2.gz GXTZNHFOGMGVTP-GFCCVEGCSA-N 1 0 384.299 2.947 20 0 GFADRO CCCN(CC[NH+]1CCCC1)C(=O)COc1ccc(C=O)cc1Br ZINC000804441850 659647635 /nfs/dbraw/zinc/64/76/35/659647635.db2.gz KZGVMMVMUWXFIJ-UHFFFAOYSA-N 1 0 397.313 2.975 20 0 GFADRO CC[C@@H](C)[NH2+][C@@H](CNS(=O)(=O)c1cnc(Cl)c(F)c1)c1ccco1 ZINC000805099811 659739025 /nfs/dbraw/zinc/73/90/25/659739025.db2.gz MQGPTSZRYUZTCG-MFKMUULPSA-N 1 0 375.853 2.875 20 0 GFADRO CC(=O)N(c1nn(CN2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)c(=S)s1)C1CC1 ZINC000808190238 659880866 /nfs/dbraw/zinc/88/08/66/659880866.db2.gz FMUZASWNHAIKLJ-SWLSCSKDSA-N 1 0 381.571 2.705 20 0 GFADRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1CN1Cc2ccc(Br)cc2C1=O ZINC000808194422 659881532 /nfs/dbraw/zinc/88/15/32/659881532.db2.gz YVGBCQHQCRKMLW-CXAGYDPISA-N 1 0 378.314 2.921 20 0 GFADRO O[C@H]1c2ccccc2OC[C@@H]1[NH2+]Cc1cc(Br)c2c(c1)OCCO2 ZINC000808453533 659894931 /nfs/dbraw/zinc/89/49/31/659894931.db2.gz HNOBVBAKAHNIRE-YOEHRIQHSA-N 1 0 392.249 2.805 20 0 GFADRO Cc1cc(Br)cn2c(C[NH2+][C@@H]3COc4ccccc4[C@@H]3O)cnc12 ZINC000808455326 659895171 /nfs/dbraw/zinc/89/51/71/659895171.db2.gz YJBCMMOANOLTHF-WBVHZDCISA-N 1 0 388.265 2.989 20 0 GFADRO CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3c(Cl)n(C)nc3C(F)(F)F)[C@@H]2C1 ZINC000808782791 659905925 /nfs/dbraw/zinc/90/59/25/659905925.db2.gz CXAVOJLCKWNMSU-CYZMBNFOSA-N 1 0 378.826 2.829 20 0 GFADRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]C[C@H](O)c3ccc(Br)cc3)[C@H]2C1 ZINC000808783967 659906169 /nfs/dbraw/zinc/90/61/69/659906169.db2.gz WDBDMLISFFBRJR-DKIMLUQUSA-N 1 0 381.314 2.719 20 0 GFADRO Cc1nonc1C[NH2+]C1CCN(C(=O)c2ccc(Br)cc2C)CC1 ZINC000809744401 659938134 /nfs/dbraw/zinc/93/81/34/659938134.db2.gz JSPDAUNVXVRXSV-UHFFFAOYSA-N 1 0 393.285 2.843 20 0 GFADRO CCCC[N@H+](C)C[C@@H](C)NS(=O)(=O)c1sc(C(=O)OC)c(Cl)c1C ZINC000809860378 659950360 /nfs/dbraw/zinc/95/03/60/659950360.db2.gz MUPNMDXMOJPARR-SNVBAGLBSA-N 1 0 396.962 2.895 20 0 GFADRO O=C(NC[C@H]1CCC[N@@H+](C[C@@H](O)c2ccc(Cl)c(F)c2)C1)C(F)(F)F ZINC000810072717 659959491 /nfs/dbraw/zinc/95/94/91/659959491.db2.gz OAWHMKBIDULSRX-QMTHXVAHSA-N 1 0 382.785 2.903 20 0 GFADRO OC[C@H]([NH2+]C[C@H](O)COc1ccc(Cl)cc1Br)C1CCCC1 ZINC000810115932 659962875 /nfs/dbraw/zinc/96/28/75/659962875.db2.gz RFBYSRCYHYFHCQ-ZFWWWQNUSA-N 1 0 392.721 2.983 20 0 GFADRO C[N@@H+]1CC[C@H](C(=O)N2CCC[C@H]([C@@H](O)c3ccc(Br)cc3)C2)C1 ZINC000811611979 660013528 /nfs/dbraw/zinc/01/35/28/660013528.db2.gz WFXUSKHBVSQUOL-ZOBUZTSGSA-N 1 0 381.314 2.673 20 0 GFADRO CSC1(CNC(=O)NC[C@@](C)(O)c2ccccc2Cl)CC[NH+](C)CC1 ZINC000811940709 660017927 /nfs/dbraw/zinc/01/79/27/660017927.db2.gz QOIAENSMOXMIIC-QGZVFWFLSA-N 1 0 385.961 2.674 20 0 GFADRO C[C@@H](CNS(=O)(=O)CCc1ccccc1Br)[NH+]1CCCCC1 ZINC000812495494 660027840 /nfs/dbraw/zinc/02/78/40/660027840.db2.gz QAUSARRDOVMSQY-AWEZNQCLSA-N 1 0 389.359 2.785 20 0 GFADRO Cc1cnc(Br)c(NC(=O)NCC2([NH+]3CCCC3)CCOCC2)c1 ZINC000813004648 660039890 /nfs/dbraw/zinc/03/98/90/660039890.db2.gz NDORCVQSCGGKFT-UHFFFAOYSA-N 1 0 397.317 2.919 20 0 GFADRO O=C(NCC1([NH+]2CCSCC2)CCCC1)[C@H](O)c1ccc(Cl)cc1F ZINC000813410957 660053768 /nfs/dbraw/zinc/05/37/68/660053768.db2.gz YPKBIDKSOOVPNG-MRXNPFEDSA-N 1 0 386.920 2.990 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2nc(C3CC3)ncc2Br)[C@H](C)C1 ZINC000813814593 660065428 /nfs/dbraw/zinc/06/54/28/660065428.db2.gz SALIBJIUKYJVIC-BXUZGUMPSA-N 1 0 381.318 2.919 20 0 GFADRO CC(C)[N@H+](C)CC1CCN(S(=O)(=O)c2ccc(Cl)c3nonc32)CC1 ZINC000814382673 660078531 /nfs/dbraw/zinc/07/85/31/660078531.db2.gz QGDVAAQHPVHHQO-UHFFFAOYSA-N 1 0 386.905 2.617 20 0 GFADRO C[N@H+](CCOc1ccc(S(N)(=O)=O)cc1)[C@H]1CCc2cc(Cl)ccc21 ZINC000814649770 660092907 /nfs/dbraw/zinc/09/29/07/660092907.db2.gz BMVZOHCINBRGEL-SFHVURJKSA-N 1 0 380.897 2.986 20 0 GFADRO COC(=O)c1cc(S(=O)(=O)NCCCCC[NH+]2CCCC2)ccc1Cl ZINC000815070656 660109462 /nfs/dbraw/zinc/10/94/62/660109462.db2.gz XIAGOLWACSFVGH-UHFFFAOYSA-N 1 0 388.917 2.671 20 0 GFADRO CCOC1(C[NH2+]Cc2c(C)nn([C@@H]3CCS(=O)(=O)C3)c2Cl)CCCC1 ZINC000815148595 660114472 /nfs/dbraw/zinc/11/44/72/660114472.db2.gz ASRVERJUASWUHJ-CQSZACIVSA-N 1 0 389.949 2.643 20 0 GFADRO C[C@H](CCc1ccc(I)cc1)[NH2+]CCCc1cnn(C)n1 ZINC000815639698 660127044 /nfs/dbraw/zinc/12/70/44/660127044.db2.gz FFVXPGXKDPBCOQ-CYBMUJFWSA-N 1 0 398.292 2.963 20 0 GFADRO CC[NH+](CC)C[C@H]1CCN(C(=O)c2cn3c(Br)cnc3s2)C1 ZINC000815719443 660129320 /nfs/dbraw/zinc/12/93/20/660129320.db2.gz FFCOHMQQBRUJFM-LLVKDONJSA-N 1 0 385.331 2.962 20 0 GFADRO Cn1nc(Br)cc1C(=O)NC[C@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000816591461 660161904 /nfs/dbraw/zinc/16/19/04/660161904.db2.gz FJMYKDFGSDMHIP-GFCCVEGCSA-N 1 0 399.720 2.911 20 0 GFADRO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)NC[C@H](C)C[NH+](C)C ZINC000816832904 660169854 /nfs/dbraw/zinc/16/98/54/660169854.db2.gz QGWSMNUOMIVEBV-JTQLQIEISA-N 1 0 381.270 2.791 20 0 GFADRO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)NC[C@@H](C)C[NH+](C)C ZINC000816832905 660169876 /nfs/dbraw/zinc/16/98/76/660169876.db2.gz QGWSMNUOMIVEBV-SNVBAGLBSA-N 1 0 381.270 2.791 20 0 GFADRO O=C(NC1CC[NH+](Cc2cccnc2)CC1)c1nc(F)ccc1Br ZINC000816925803 660173058 /nfs/dbraw/zinc/17/30/58/660173058.db2.gz YGYPRQKFBKAJMN-UHFFFAOYSA-N 1 0 393.260 2.773 20 0 GFADRO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)c1cnc(Br)s1 ZINC000816961017 660174787 /nfs/dbraw/zinc/17/47/87/660174787.db2.gz UBRBQVSZFXTRJM-UHFFFAOYSA-N 1 0 381.299 2.947 20 0 GFADRO COCCCC[N@H+](C)Cn1ncc2c1ccc(Br)c2C(=O)OC ZINC000841692980 661309324 /nfs/dbraw/zinc/30/93/24/661309324.db2.gz VWZULJDSYBLQSY-UHFFFAOYSA-N 1 0 384.274 2.901 20 0 GFADRO COc1cc(NCc2cc(Br)nn2C)ccc1OCC[NH+](C)C ZINC000841893734 661317557 /nfs/dbraw/zinc/31/75/57/661317557.db2.gz ONHRGPIYFMRJQK-UHFFFAOYSA-N 1 0 383.290 2.744 20 0 GFADRO C[C@]1(CCNC(=O)N2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)CC1(Cl)Cl ZINC000841913504 661317842 /nfs/dbraw/zinc/31/78/42/661317842.db2.gz RLOCTFFHCZPEJN-FMKPAKJESA-N 1 0 378.344 2.888 20 0 GFADRO CN(C[C@@H](O)c1ccccc1Br)C(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000841950418 661318225 /nfs/dbraw/zinc/31/82/25/661318225.db2.gz SYXAOHWJHYBFEG-DLBZAZTESA-N 1 0 392.297 2.824 20 0 GFADRO [NH3+][C@@H]1CCC[C@H](NC(=O)N2CCO[C@H](c3ccccc3Br)C2)C1 ZINC000841982366 661318931 /nfs/dbraw/zinc/31/89/31/661318931.db2.gz VQDBMZKBAIBGDE-WWGRRREGSA-N 1 0 382.302 2.802 20 0 GFADRO CN(C[C@H](O)c1ccccc1Br)C(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000842006508 661319560 /nfs/dbraw/zinc/31/95/60/661319560.db2.gz TXQHHYACMIJJFI-BBRMVZONSA-N 1 0 384.318 2.656 20 0 GFADRO COc1ccc2nc(Cl)ccc2c1S(=O)(=O)N[C@@H]1CC[NH2+]CC1(C)C ZINC000842482626 661341604 /nfs/dbraw/zinc/34/16/04/661341604.db2.gz CUSAAGFCVUYXMB-CQSZACIVSA-N 1 0 383.901 2.563 20 0 GFADRO CC1(C)C[NH2+][C@H]1C1CCN(C(=O)c2cccnc2I)CC1 ZINC000842513648 661342796 /nfs/dbraw/zinc/34/27/96/661342796.db2.gz OLPHSLAKNPFUTP-ZDUSSCGKSA-N 1 0 399.276 2.536 20 0 GFADRO C[NH2+]C[C@H](C)c1noc([C@H]2CC(=O)N(c3cccc(Br)c3)C2)n1 ZINC000842580500 661344411 /nfs/dbraw/zinc/34/44/11/661344411.db2.gz UKGZFLYJODIAJR-QWRGUYRKSA-N 1 0 379.258 2.676 20 0 GFADRO [NH3+]Cc1ccc2c(c1)CCCN2S(=O)(=O)c1c(Cl)nc2sccn21 ZINC000842713200 661350552 /nfs/dbraw/zinc/35/05/52/661350552.db2.gz FJSJPQIOHYAWOM-UHFFFAOYSA-N 1 0 382.898 2.649 20 0 GFADRO CNC(=O)[C@@H](C[NH2+]Cc1occc1Br)Cc1ccc(OC)c(F)c1 ZINC000842718156 661350739 /nfs/dbraw/zinc/35/07/39/661350739.db2.gz GPDUZIMLSFBBQQ-GFCCVEGCSA-N 1 0 399.260 2.884 20 0 GFADRO COc1c(F)cc(Br)cc1S(=O)(=O)N(C)CC[C@@H]([NH3+])C(C)C ZINC000842738546 661351809 /nfs/dbraw/zinc/35/18/09/661351809.db2.gz MXPAAVKNAXZBBF-GFCCVEGCSA-N 1 0 397.310 2.591 20 0 GFADRO C[C@H]([NH2+]C[C@@H]1CS(=O)(=O)c2ccccc2O1)c1ccc(Br)nc1 ZINC000842882626 661358496 /nfs/dbraw/zinc/35/84/96/661358496.db2.gz CJIXUDBCQRAELG-WCQYABFASA-N 1 0 397.294 2.730 20 0 GFADRO C[C@@](O)(C[NH2+]C[C@H](O)COCC1CC1)c1ccc(Br)cc1Cl ZINC000843068030 661365987 /nfs/dbraw/zinc/36/59/87/661365987.db2.gz IXWLMCXIHOCXNT-XJKSGUPXSA-N 1 0 392.721 2.687 20 0 GFADRO COc1cccc([C@@H](O)C[NH2+]C[C@@H](O)COc2ccc(Br)cc2)c1 ZINC000843070019 661366170 /nfs/dbraw/zinc/36/61/70/661366170.db2.gz VCVIOXYXIODHHF-QAPCUYQASA-N 1 0 396.281 2.521 20 0 GFADRO Cc1cccc([C@H](O)C[NH2+]CCS(=O)(=O)c2cccc(Br)c2)c1 ZINC000843086993 661367225 /nfs/dbraw/zinc/36/72/25/661367225.db2.gz IHINBEQNJDWVOZ-QGZVFWFLSA-N 1 0 398.322 2.854 20 0 GFADRO Cc1nc(C[NH2+]C[C@H](O)COc2cccc(Br)c2)ccc1[C@H](C)O ZINC000843108368 661368276 /nfs/dbraw/zinc/36/82/76/661368276.db2.gz YWDXDRSSYUUEMH-BBRMVZONSA-N 1 0 395.297 2.735 20 0 GFADRO O[C@H](C[NH2+]C[C@@H](O)c1ccc(F)cc1)COc1ccc(Br)cc1 ZINC000843111481 661368660 /nfs/dbraw/zinc/36/86/60/661368660.db2.gz SMKURBWOLKHISK-NVXWUHKLSA-N 1 0 384.245 2.651 20 0 GFADRO OC[C@@H](C[NH2+]C[C@H](O)c1cccc(Br)c1)Cc1ccncc1Cl ZINC000843112699 661368879 /nfs/dbraw/zinc/36/88/79/661368879.db2.gz TXOXRBRFNSMXSU-PXAZEXFGSA-N 1 0 399.716 2.972 20 0 GFADRO O[C@@H](C[NH2+]C[C@H](O)COCc1ccccc1F)c1cccc(Br)c1 ZINC000843117073 661369578 /nfs/dbraw/zinc/36/95/78/661369578.db2.gz ZEVXLSPWPKSVFX-WMZOPIPTSA-N 1 0 398.272 2.789 20 0 GFADRO Cc1cc(Br)ccc1C(=O)N1CCC[C@H](c2nc(CC[NH3+])no2)C1 ZINC000843131986 661370403 /nfs/dbraw/zinc/37/04/03/661370403.db2.gz XJUBMNGSQSXVMA-LBPRGKRZSA-N 1 0 393.285 2.662 20 0 GFADRO C[C@H](NC(=O)c1ccc(Br)s1)c1nc(C2CC[NH2+]CC2)no1 ZINC000843138238 661370620 /nfs/dbraw/zinc/37/06/20/661370620.db2.gz QIBXTFMFHMWABJ-QMMMGPOBSA-N 1 0 385.287 2.852 20 0 GFADRO CC(C)[C@H]([NH3+])c1noc(CCNC(=O)c2cc(F)ccc2Br)n1 ZINC000843153260 661371127 /nfs/dbraw/zinc/37/11/27/661371127.db2.gz NOZWQZZHUCAJMC-ZDUSSCGKSA-N 1 0 385.237 2.600 20 0 GFADRO CC(C)[NH2+]CCc1nc(Cc2nc3ccc(Br)cc3c(=O)[nH]2)no1 ZINC000843201412 661372059 /nfs/dbraw/zinc/37/20/59/661372059.db2.gz SXPQVGVLHWZTMR-UHFFFAOYSA-N 1 0 392.257 2.612 20 0 GFADRO C[C@@]1(c2nc(Cc3cccc(F)c3I)no2)CC[NH2+]C1 ZINC000843207399 661372726 /nfs/dbraw/zinc/37/27/26/661372726.db2.gz CPDABKZELOESMV-CQSZACIVSA-N 1 0 387.196 2.655 20 0 GFADRO Fc1cccc(Cc2noc(C[C@H]3CCC[NH2+]3)n2)c1I ZINC000843208730 661372899 /nfs/dbraw/zinc/37/28/99/661372899.db2.gz KQIHNHIBHCLZRI-SNVBAGLBSA-N 1 0 387.196 2.699 20 0 GFADRO CC(C)(Cc1cccc(Br)c1)c1noc(C[C@H]2C[NH2+]CCO2)n1 ZINC000843237919 661374416 /nfs/dbraw/zinc/37/44/16/661374416.db2.gz IHXXCTAKUQBYFZ-AWEZNQCLSA-N 1 0 380.286 2.883 20 0 GFADRO CN(C)c1ccc(-c2noc(C[C@@H]3CSCC[NH2+]3)n2)cc1Br ZINC000843238122 661374588 /nfs/dbraw/zinc/37/45/88/661374588.db2.gz ZWIFGANGALKLGG-LLVKDONJSA-N 1 0 383.315 2.813 20 0 GFADRO CN(C)C(=O)CNC(=S)Nc1ccc(SCC[NH+]2CCCCC2)cc1 ZINC000843280135 661375510 /nfs/dbraw/zinc/37/55/10/661375510.db2.gz AGOPDZBUQBKSAB-UHFFFAOYSA-N 1 0 380.583 2.639 20 0 GFADRO C[NH2+][C@@H](CC(C)(C)C)C(=O)Nc1cc(Cl)ccc1OCCS(C)(=O)=O ZINC000843439297 661381735 /nfs/dbraw/zinc/38/17/35/661381735.db2.gz NXHFXWVZSHCHMZ-AWEZNQCLSA-N 1 0 390.933 2.726 20 0 GFADRO C[C@@H](CNC(=O)CO[C@H]1CCC[NH2+]C1)Sc1ccc(Br)cc1 ZINC000843437196 661381767 /nfs/dbraw/zinc/38/17/67/661381767.db2.gz QHEMMOFXLOYEJC-JSGCOSHPSA-N 1 0 387.343 2.815 20 0 GFADRO O=C(Cc1ccc(F)c(Br)c1)Nc1cnn(C2CC[NH2+]CC2)c1 ZINC000843456369 661382191 /nfs/dbraw/zinc/38/21/91/661382191.db2.gz MGACMLWIBKMKCM-UHFFFAOYSA-N 1 0 381.249 2.890 20 0 GFADRO CCN(CC)S(=O)(=O)c1cc(C(=O)NCCCCCC[NH3+])ccc1Cl ZINC000843505708 661383762 /nfs/dbraw/zinc/38/37/62/661383762.db2.gz JRUMQDXMIPXYGX-UHFFFAOYSA-N 1 0 389.949 2.619 20 0 GFADRO CCCN(C(=O)C[C@](O)(c1nc(C)cs1)C(F)(F)F)[C@H]1CC[N@H+](C)C1 ZINC000843992936 661399394 /nfs/dbraw/zinc/39/93/94/661399394.db2.gz UWEWAXSZNUQNKL-WFASDCNBSA-N 1 0 379.448 2.534 20 0 GFADRO COCC1(C(=O)N=c2sccn2Cc2ccccc2Cl)CC[NH2+]CC1 ZINC000844160115 661408742 /nfs/dbraw/zinc/40/87/42/661408742.db2.gz FSMVXISVTWPOLA-UHFFFAOYSA-N 1 0 379.913 2.695 20 0 GFADRO CC[N@@H+](Cc1cc(Cl)cc(S(N)(=O)=O)c1)C[C@H](O)c1ccc(C)cc1 ZINC000844299337 661413240 /nfs/dbraw/zinc/41/32/40/661413240.db2.gz BIMDYKLTVRNBSV-SFHVURJKSA-N 1 0 382.913 2.851 20 0 GFADRO CCOC[C@@H]1CC[N@H+](CN2CC(c3ccc(Br)cc3)=CC2=O)C1 ZINC000844694554 661434325 /nfs/dbraw/zinc/43/43/25/661434325.db2.gz PHLHNARPOSCZRG-CQSZACIVSA-N 1 0 379.298 2.991 20 0 GFADRO C[N@@H+]1CCC[C@H]2CN(Cn3nc(-c4ccc(Cl)s4)ccc3=O)CC[C@@H]21 ZINC000844697529 661435085 /nfs/dbraw/zinc/43/50/85/661435085.db2.gz JKUXWZYCJQCERN-ZFWWWQNUSA-N 1 0 378.929 2.999 20 0 GFADRO C[N@@H+]1CC[C@]2(CCN(CN3CC(c4ccc(Br)cc4)=CC3=O)C2)C1 ZINC000844705027 661436152 /nfs/dbraw/zinc/43/61/52/661436152.db2.gz DPGIGXFBFARFOS-IBGZPJMESA-N 1 0 390.325 2.660 20 0 GFADRO O=C(NC[C@H](O)C(F)(F)F)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000844791981 661440099 /nfs/dbraw/zinc/44/00/99/661440099.db2.gz GSBAOPQEPADKII-AWEZNQCLSA-N 1 0 377.432 2.919 20 0 GFADRO C[C@@H](NC(=O)Cc1noc(CC(F)(F)C[NH3+])n1)c1ccc(Cl)cc1Cl ZINC000844918737 661449236 /nfs/dbraw/zinc/44/92/36/661449236.db2.gz ZLTIKIQZUJJNDF-MRVPVSSYSA-N 1 0 393.221 2.933 20 0 GFADRO COc1ccc(Cc2noc(CC(F)(F)C[NH3+])n2)c(Br)c1OC ZINC000844915784 661449248 /nfs/dbraw/zinc/44/92/48/661449248.db2.gz UUTKVLHSIMZTND-UHFFFAOYSA-N 1 0 392.200 2.577 20 0 GFADRO O=C(NCc1noc([C@@H]2CC[C@@H](C3CC3)[NH2+]2)n1)c1ccc(Br)cc1 ZINC000844920580 661449517 /nfs/dbraw/zinc/44/95/17/661449517.db2.gz TZFISTCKBYUJGB-KBPBESRZSA-N 1 0 391.269 2.965 20 0 GFADRO O=C(NCCC[C@H]1CC1(Cl)Cl)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000844976668 661451968 /nfs/dbraw/zinc/45/19/68/661451968.db2.gz LWFHARHXBPTTKP-DZGCQCFKSA-N 1 0 378.344 2.903 20 0 GFADRO C[NH+](C)CCN(CC(=O)OC(C)(C)C)C(=O)c1snc(Cl)c1Cl ZINC000845377744 661468283 /nfs/dbraw/zinc/46/82/83/661468283.db2.gz YPHWWKVPLIBFFF-UHFFFAOYSA-N 1 0 382.313 2.795 20 0 GFADRO O=C(NCCC[C@@H]1CC1(Cl)Cl)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000845673070 661488062 /nfs/dbraw/zinc/48/80/62/661488062.db2.gz AFTZODHAEMPWSP-LSDHHAIUSA-N 1 0 378.344 2.714 20 0 GFADRO C[NH2+]Cc1ccccc1CNC(=O)NC[C@H](O)c1ccccc1Br ZINC000846207061 661538456 /nfs/dbraw/zinc/53/84/56/661538456.db2.gz XWUPWTVRKVSWER-KRWDZBQOSA-N 1 0 392.297 2.701 20 0 GFADRO Cc1cc(Br)sc1S(=O)(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000846229181 661539114 /nfs/dbraw/zinc/53/91/14/661539114.db2.gz XSRLNCZJXOPSIH-UHFFFAOYSA-N 1 0 379.345 2.583 20 0 GFADRO CCc1cc[n+](C(C(=O)c2ccnn2C)C(=S)NCCCSC)cc1 ZINC000846758096 661564175 /nfs/dbraw/zinc/56/41/75/661564175.db2.gz LYSLWYWYTOQAJL-UHFFFAOYSA-O 1 0 377.559 2.824 20 0 GFADRO O=C1NC(=O)[C@@]2(CCC[N@@H+](Cc3cc4cc(Cl)ccc4nc3Cl)C2)N1 ZINC000846880024 661568902 /nfs/dbraw/zinc/56/89/02/661568902.db2.gz OZBQQWNUOIJAMF-KRWDZBQOSA-N 1 0 379.247 2.716 20 0 GFADRO CC(C)(C)OC(=O)N1CC[C@](O)(C[N@@H+]2CC[C@@]3(C)[C@@H](C2)C3(Cl)Cl)C1 ZINC000846896631 661569561 /nfs/dbraw/zinc/56/95/61/661569561.db2.gz XTRIUJDDOFDBCP-KCXAZCMYSA-N 1 0 379.328 2.874 20 0 GFADRO CON1CC[NH+](CCCC(=O)Nc2c(C)cc(Br)cc2C)CC1 ZINC000846978369 661572480 /nfs/dbraw/zinc/57/24/80/661572480.db2.gz LTPZOYQIMKJKPP-UHFFFAOYSA-N 1 0 384.318 2.964 20 0 GFADRO Cc1ccc(NC(=O)NC[C@@H](C)N2C[C@@H](C)O[C@@H](C)C2)nc1Br ZINC000847182343 661579891 /nfs/dbraw/zinc/57/98/91/661579891.db2.gz XWHSKSKWLWLGIV-UPJWGTAASA-N 1 0 385.306 2.772 20 0 GFADRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)c2nc(Br)ccc2Br)C1 ZINC000847178771 661579945 /nfs/dbraw/zinc/57/99/45/661579945.db2.gz FBDOIEDHSXYYMJ-DTORHVGOSA-N 1 0 391.107 2.677 20 0 GFADRO C[N@@H+]1CC[C@H](CCOC(=O)c2cn(-c3ccccc3Br)nn2)C1 ZINC000847826100 661612094 /nfs/dbraw/zinc/61/20/94/661612094.db2.gz UVEBZMSHIUAZGA-GFCCVEGCSA-N 1 0 379.258 2.528 20 0 GFADRO Cc1cccc(N2CC[NH+](CCC(=O)NCc3cnc(Cl)s3)CC2)c1 ZINC000848034724 661622263 /nfs/dbraw/zinc/62/22/63/661622263.db2.gz ZZQBVELKUWIKSG-UHFFFAOYSA-N 1 0 378.929 2.933 20 0 GFADRO CN=[S@](C)(=O)c1cccc(NC(=O)C2CC[NH+]([C@H]3CCSC3)CC2)c1 ZINC000848206647 661632512 /nfs/dbraw/zinc/63/25/12/661632512.db2.gz DXDZHHAABFALBI-IVCQMTBJSA-N 1 0 381.567 2.929 20 0 GFADRO CN=[S@@](C)(=O)c1cccc(NC(=O)C2CC[NH+]([C@H]3CCSC3)CC2)c1 ZINC000848206650 661632680 /nfs/dbraw/zinc/63/26/80/661632680.db2.gz DXDZHHAABFALBI-LMKMVOKYSA-N 1 0 381.567 2.929 20 0 GFADRO CCN(CC)C(=O)C[NH2+]Cc1cn(-c2ccccc2Br)nc1C ZINC000848530571 661662025 /nfs/dbraw/zinc/66/20/25/661662025.db2.gz BGPVMOSKGCCGLF-UHFFFAOYSA-N 1 0 379.302 2.901 20 0 GFADRO Cn1c(Cl)ncc1C[NH2+]C[C@@H](CO)Cc1ccc(OC(F)(F)F)cc1 ZINC000848542172 661663101 /nfs/dbraw/zinc/66/31/01/661663101.db2.gz FJPGSNYSXRZOIO-LBPRGKRZSA-N 1 0 377.794 2.913 20 0 GFADRO Brc1cc2c(cc1NC1CC[NH+]([C@@H]3CCOC3)CC1)OCCO2 ZINC000848544298 661663342 /nfs/dbraw/zinc/66/33/42/661663342.db2.gz PJCGTPNUTMEDSC-CYBMUJFWSA-N 1 0 383.286 2.886 20 0 GFADRO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]C[C@H]1CN(C2CC2)C(=O)O1 ZINC000848572618 661665936 /nfs/dbraw/zinc/66/59/36/661665936.db2.gz UYXABIJLGLSGQQ-ABAIWWIYSA-N 1 0 396.285 2.739 20 0 GFADRO CC(C)(C)Sc1ccc(NC(=O)C(=O)N[C@H](C[NH3+])C(F)(F)F)cc1F ZINC000848601914 661667646 /nfs/dbraw/zinc/66/76/46/661667646.db2.gz LIQCLJDTNPRJHS-LLVKDONJSA-N 1 0 381.395 2.661 20 0 GFADRO COC(=O)Cc1ccccc1C[NH2+]C[C@@H](O)c1cccc(Br)c1 ZINC000848678037 661671865 /nfs/dbraw/zinc/67/18/65/661671865.db2.gz HSGGQKCOKPLVRF-QGZVFWFLSA-N 1 0 378.266 2.988 20 0 GFADRO [NH2+]=C(NCCOc1ccc(I)cc1)Nc1ccccn1 ZINC000848988826 661689838 /nfs/dbraw/zinc/68/98/38/661689838.db2.gz HPRYDAQEJYAJPQ-UHFFFAOYSA-N 1 0 382.205 2.701 20 0 GFADRO CC1CCN(C(=[NH2+])NCCNS(=O)(=O)c2cccc(Cl)c2Cl)CC1 ZINC000849052612 661690554 /nfs/dbraw/zinc/69/05/54/661690554.db2.gz KCUSPJFAVNWTKC-UHFFFAOYSA-N 1 0 393.340 2.528 20 0 GFADRO Cc1cc(CNC(=[NH2+])N2CCSCC2)ccc1I ZINC000849075637 661690829 /nfs/dbraw/zinc/69/08/29/661690829.db2.gz JVDMHEKQDQIGDJ-UHFFFAOYSA-N 1 0 375.279 2.673 20 0 GFADRO [NH2+]=C(NCCc1ccccc1)NC[C@H](CO)Cc1ccc(Br)cc1 ZINC000849104808 661691901 /nfs/dbraw/zinc/69/19/01/661691901.db2.gz XRDIOFCJJRMTID-QGZVFWFLSA-N 1 0 390.325 2.957 20 0 GFADRO CC(C)(C)OC(=O)NCCNC(=[NH2+])NCc1cc(F)ccc1Br ZINC000849110731 661692414 /nfs/dbraw/zinc/69/24/14/661692414.db2.gz MAKMQHAPLGYTPQ-UHFFFAOYSA-N 1 0 389.269 2.727 20 0 GFADRO COc1ccc(C[C@H](CO)CNC(=[NH2+])NCCC(C)C)cc1Br ZINC000849115550 661693369 /nfs/dbraw/zinc/69/33/69/661693369.db2.gz YHLQRNVTMNKDIR-AWEZNQCLSA-N 1 0 386.334 2.769 20 0 GFADRO CC(C)[N@@H+]1CC[C@@H](C(=O)NCCSC(F)(F)F)[C@@H](c2cnn(C)c2)C1 ZINC000849500661 661733885 /nfs/dbraw/zinc/73/38/85/661733885.db2.gz IJEHZADREOMUJA-ZIAGYGMSSA-N 1 0 378.464 2.603 20 0 GFADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)NCc2cccc(Br)c2)cn1 ZINC000849497097 661733914 /nfs/dbraw/zinc/73/39/14/661733914.db2.gz MVJRUUGHMCXMPP-IRXDYDNUSA-N 1 0 391.313 2.534 20 0 GFADRO Cn1cc([C@H]2C[N@H+](C)CC[C@H]2C(=O)NCc2cc(Br)cs2)cn1 ZINC000849503439 661733931 /nfs/dbraw/zinc/73/39/31/661733931.db2.gz XWACYXQSSHXNNM-HUUCEWRRSA-N 1 0 397.342 2.596 20 0 GFADRO COc1sc(C[NH2+]CC[S@](=O)CC(F)(F)F)cc1Br ZINC000850348550 661770837 /nfs/dbraw/zinc/77/08/37/661770837.db2.gz ONPPDINLUUNCQY-IBGZPJMESA-N 1 0 380.251 2.920 20 0 GFADRO CC(C)(C)OC(=O)Nc1ncc(C[NH2+]CCC2(CS(C)(=O)=O)CC2)s1 ZINC000850345392 661770861 /nfs/dbraw/zinc/77/08/61/661770861.db2.gz YFWYCZUKHUKYJT-UHFFFAOYSA-N 1 0 389.543 2.795 20 0 GFADRO Ic1ccccc1CNC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000850396916 661774968 /nfs/dbraw/zinc/77/49/68/661774968.db2.gz RDYIDOIBOYBEHG-OAHLLOKOSA-N 1 0 386.277 2.634 20 0 GFADRO CS[C@H](CO)[C@H](C)[NH2+][C@@H]1CCN(C(=O)C(F)(F)F)Cc2ccccc21 ZINC000850435950 661776185 /nfs/dbraw/zinc/77/61/85/661776185.db2.gz GNXUKRUWKUYJMZ-NILFDRSVSA-N 1 0 376.444 2.724 20 0 GFADRO CCNS(=O)(=O)CC[NH2+][C@@H](Cc1ccc(Br)cc1)C(C)C ZINC000850444598 661776525 /nfs/dbraw/zinc/77/65/25/661776525.db2.gz YKSYMSJMMOYZIS-HNNXBMFYSA-N 1 0 377.348 2.545 20 0 GFADRO O=C1O[C@@H](C[NH2+][C@@H]2CCc3ccc(I)cc32)CN1C1CC1 ZINC000850476773 661778149 /nfs/dbraw/zinc/77/81/49/661778149.db2.gz QDGBLBIHFYGUKP-DZGCQCFKSA-N 1 0 398.244 2.851 20 0 GFADRO O=S(=O)(CC[NH2+][C@@H](C[C@H]1CCOC1)c1ccc(F)cc1)CC(F)(F)F ZINC000850518130 661780331 /nfs/dbraw/zinc/78/03/31/661780331.db2.gz LGZVWJSVPVQIDI-DOMZBBRYSA-N 1 0 383.407 2.860 20 0 GFADRO COC(=O)c1cc(S(=O)(=O)N2CCC[C@@H](C)[C@H]2CCC[NH3+])ccc1Cl ZINC000850591216 661782785 /nfs/dbraw/zinc/78/27/85/661782785.db2.gz NUTAWCIJFHCQLM-MLGOLLRUSA-N 1 0 388.917 2.655 20 0 GFADRO [NH3+]CC12CC(C1)CN2C(=O)C(=O)Nc1cccc(Cl)c1SC(F)F ZINC000850849041 661793447 /nfs/dbraw/zinc/79/34/47/661793447.db2.gz NYDYRRALCSELPL-UHFFFAOYSA-N 1 0 375.828 2.543 20 0 GFADRO CC(C)(C)n1ncc(C(=O)NCc2ccc(CC[NH3+])cc2)c1Br ZINC000851630714 661826794 /nfs/dbraw/zinc/82/67/94/661826794.db2.gz LKVVAGKUWFHPFS-UHFFFAOYSA-N 1 0 379.302 2.832 20 0 GFADRO O=C(N[C@@H]1CC[C@@H]2SCCS[C@H]12)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000851658612 661827726 /nfs/dbraw/zinc/82/77/26/661827726.db2.gz HGVPXILYPAZFRY-HSFUPAIVSA-N 1 0 377.579 2.811 20 0 GFADRO C[C@@H]([NH3+])C[C@H](C)NC(=O)N1CC[C@@]2(C)[C@@H](C1)C2(Br)Br ZINC000851667808 661827974 /nfs/dbraw/zinc/82/79/74/661827974.db2.gz SGZYXEGTACHJJA-KLBPJQLPSA-N 1 0 397.155 2.650 20 0 GFADRO CNS(=O)(=O)c1ccc(C[N@@H+]2CCC[C@@H]2C[C@H](O)c2cccs2)cc1 ZINC000851802173 661832814 /nfs/dbraw/zinc/83/28/14/661832814.db2.gz DMHJALAZHSYHKR-WBVHZDCISA-N 1 0 380.535 2.744 20 0 GFADRO COC(=O)C[C@@](C)([NH2+]C[C@@H]1COC(C)(C)O1)c1ccc(Br)cc1 ZINC000852043573 661850653 /nfs/dbraw/zinc/85/06/53/661850653.db2.gz DMUUMNJSLDXUCG-RHSMWYFYSA-N 1 0 386.286 2.969 20 0 GFADRO C[NH+](C)CCOc1ccc(CCNC(=O)NCCC2SCCS2)cc1 ZINC000852060963 661851106 /nfs/dbraw/zinc/85/11/06/661851106.db2.gz MGKXMRYGETXRMB-UHFFFAOYSA-N 1 0 383.583 2.665 20 0 GFADRO CC(C)C[NH2+]C1(CO)CCN(Cc2c(Cl)n(C)nc2C(F)(F)F)CC1 ZINC000852124244 661853708 /nfs/dbraw/zinc/85/37/08/661853708.db2.gz QHPZATSUYOZIBL-UHFFFAOYSA-N 1 0 382.858 2.665 20 0 GFADRO Cn1nc(C(F)(F)F)c(C[NH2+][C@H](C2CC2)C2(CO)CCOCC2)c1Cl ZINC000852283009 661859119 /nfs/dbraw/zinc/85/91/19/661859119.db2.gz AGQWWZVAOWDYFD-GFCCVEGCSA-N 1 0 381.826 2.750 20 0 GFADRO O=C(CC[N@@H+]1CCC2=C(CCC(=O)N2)C1)Nc1ccc(Br)cc1F ZINC000852300974 661859822 /nfs/dbraw/zinc/85/98/22/661859822.db2.gz YPIBKGOADXWGKA-UHFFFAOYSA-N 1 0 396.260 2.787 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)NC[C@H](O)c1ccccc1Br ZINC000852414753 661863675 /nfs/dbraw/zinc/86/36/75/661863675.db2.gz UDWHSUTXZHIVJT-WFASDCNBSA-N 1 0 384.318 2.655 20 0 GFADRO CC(C)(C)OC(=O)NCC[C@H](O)C[NH2+][C@@H](CO)c1cccc(Cl)c1Cl ZINC000852679679 661871239 /nfs/dbraw/zinc/87/12/39/661871239.db2.gz XXAZQBGQRSIPLB-FZMZJTMJSA-N 1 0 393.311 2.892 20 0 GFADRO O=C1OCCN1C1CC[NH+](C[C@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000852724460 661871806 /nfs/dbraw/zinc/87/18/06/661871806.db2.gz YVYCHIRHMVTYAP-AWEZNQCLSA-N 1 0 389.279 2.650 20 0 GFADRO C[N@H+](CCC(=O)Nc1sc2c(c1C(N)=O)CCCC2)CC1=CCSC1 ZINC000852747823 661873454 /nfs/dbraw/zinc/87/34/54/661873454.db2.gz YMLWJGNKMCSHJA-UHFFFAOYSA-N 1 0 379.551 2.659 20 0 GFADRO O=C(c1cnn(-c2ccccc2)c1Br)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000852798161 661874722 /nfs/dbraw/zinc/87/47/22/661874722.db2.gz GTEQVPFHNWVIBG-OLZOCXBDSA-N 1 0 375.270 2.601 20 0 GFADRO CC(C)[C@H]([NH3+])CCNC(=O)c1ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c1 ZINC000852866627 661875947 /nfs/dbraw/zinc/87/59/47/661875947.db2.gz IMVQRLBIPFXJKA-CQSZACIVSA-N 1 0 389.949 2.520 20 0 GFADRO OC[C@H]1CCC[N@@H+]1Cc1ccccc1CNc1ncnc(F)c1Br ZINC000853474088 661889757 /nfs/dbraw/zinc/88/97/57/661889757.db2.gz GIWRQPJNOAQAOP-CQSZACIVSA-N 1 0 395.276 2.947 20 0 GFADRO C[N@H+](CCc1ccccc1)[C@H]1CCN(Cn2ncc(Cl)c(Cl)c2=O)C1 ZINC000853559847 661892569 /nfs/dbraw/zinc/89/25/69/661892569.db2.gz JDVRVFCCNBQRGC-HNNXBMFYSA-N 1 0 381.307 2.756 20 0 GFADRO O=C(N1CCC[C@H](C2CC[NH+](CN3CCSC3=S)CC2)C1)C(F)(F)F ZINC000853572923 661893271 /nfs/dbraw/zinc/89/32/71/661893271.db2.gz SYGBVDOGTZANRD-ZDUSSCGKSA-N 1 0 395.516 2.791 20 0 GFADRO C[C@H](OC(=O)[C@@H]1CC1(Cl)Cl)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000854289050 661922027 /nfs/dbraw/zinc/92/20/27/661922027.db2.gz IOHSNKQDUHMNKE-CFVMTHIKSA-N 1 0 385.291 2.503 20 0 GFADRO O=C(NC[C@H]1C[N@@H+]2CCN1CCC2)C(F)(F)c1cc(Cl)ccc1Cl ZINC000854354261 661927918 /nfs/dbraw/zinc/92/79/18/661927918.db2.gz OFZDICYBYVIGPQ-LBPRGKRZSA-N 1 0 378.250 2.591 20 0 GFADRO C[NH+](C)C[C@@H](CO)NC(=O)c1sc2cc(Br)ccc2c1Cl ZINC000854466449 661934968 /nfs/dbraw/zinc/93/49/68/661934968.db2.gz CYGJCDYKPQQXEK-VIFPVBQESA-N 1 0 391.718 2.970 20 0 GFADRO C[N@@H+]1CCC[C@H]1[C@@H]1COCCN1C(=O)c1c(Cl)nc2cc(Cl)ccn21 ZINC000854643868 661945293 /nfs/dbraw/zinc/94/52/93/661945293.db2.gz ZMAULPBPRMQXPM-STQMWFEESA-N 1 0 383.279 2.576 20 0 GFADRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)c3cc(Cl)nc(C(F)(F)F)c3)[C@H]2C1 ZINC000854658032 661946108 /nfs/dbraw/zinc/94/61/08/661946108.db2.gz OHZYMRXERKZKHA-NWDGAFQWSA-N 1 0 377.794 2.689 20 0 GFADRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)[C@]2(C)CC2(Br)Br)C1 ZINC000854893302 661959389 /nfs/dbraw/zinc/95/93/89/661959389.db2.gz IDCCFAYIKROIOW-JQWIXIFHSA-N 1 0 382.140 2.824 20 0 GFADRO CCC(C)(C)[NH+]1CCN(C(=O)c2csc(I)n2)CC1 ZINC000855050402 661967373 /nfs/dbraw/zinc/96/73/73/661967373.db2.gz SSPDWRVCYXUXRJ-UHFFFAOYSA-N 1 0 393.294 2.694 20 0 GFADRO C[C@@H](Sc1nc2ccccc2s1)C(=O)NCCN(C)CCC[NH+](C)C ZINC000855415517 661991440 /nfs/dbraw/zinc/99/14/40/661991440.db2.gz XYLNXDWLFLLTCV-CQSZACIVSA-N 1 0 380.583 2.777 20 0 GFADRO CCN(C(=O)/C=C/c1ccc(I)o1)[C@H]1CC[N@H+](CC)C1 ZINC000855490622 661993531 /nfs/dbraw/zinc/99/35/31/661993531.db2.gz NBBIJPJOVIMGGR-WMADIVHISA-N 1 0 388.249 2.840 20 0 GFADRO CCc1sc(C(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)cc1Br ZINC000856255471 662026824 /nfs/dbraw/zinc/02/68/24/662026824.db2.gz HSYRROJABVXFGX-LBPRGKRZSA-N 1 0 387.343 2.744 20 0 GFADRO O=C(c1c[nH]c2ccc(Br)cc12)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000856256291 662027134 /nfs/dbraw/zinc/02/71/34/662027134.db2.gz VCIJXHGAUPOQNW-CQSZACIVSA-N 1 0 392.297 2.602 20 0 GFADRO CC[C@@H]1CN(C(=O)c2cc(=O)c3cc(Br)ccc3o2)C[C@H](C)[NH2+]1 ZINC000856407320 662032265 /nfs/dbraw/zinc/03/22/65/662032265.db2.gz PCTBKCAVVHFOLR-CMPLNLGQSA-N 1 0 379.254 2.768 20 0 GFADRO O=C(NCC1CC[NH+](CC2CC2)CC1)c1sccc1S(=O)(=O)C(F)F ZINC000856415419 662032763 /nfs/dbraw/zinc/03/27/63/662032763.db2.gz GSUBFWGKQFDIAA-UHFFFAOYSA-N 1 0 392.493 2.596 20 0 GFADRO Cc1cc(Br)ccc1CC(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000856429593 662033417 /nfs/dbraw/zinc/03/34/17/662033417.db2.gz LSPYRLCFICQKFN-QGZVFWFLSA-N 1 0 383.330 2.869 20 0 GFADRO COC(=O)c1sc2c(c1Br)CN(C(=O)C1([NH+](C)C)CCC1)C2 ZINC000856435856 662034033 /nfs/dbraw/zinc/03/40/33/662034033.db2.gz QTJARTWOBVZRHI-UHFFFAOYSA-N 1 0 387.299 2.624 20 0 GFADRO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NC[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC000857331995 662073759 /nfs/dbraw/zinc/07/37/59/662073759.db2.gz KFZUWTWXSZRMNX-IRXDYDNUSA-N 1 0 389.323 2.936 20 0 GFADRO CCN(CC)S(=O)(=O)c1ccc(CC[NH2+][C@H]2CCCc3cn[nH]c32)s1 ZINC000857853462 662092473 /nfs/dbraw/zinc/09/24/73/662092473.db2.gz QLCBLVOTTJVBOK-HNNXBMFYSA-N 1 0 382.555 2.711 20 0 GFADRO Cc1nnc(CC(=O)N2C[C@@H]([NH+](C)C)CCc3cc(Br)ccc32)o1 ZINC000857883348 662093852 /nfs/dbraw/zinc/09/38/52/662093852.db2.gz REXHMSUCYXPEED-AWEZNQCLSA-N 1 0 393.285 2.593 20 0 GFADRO CC(C)(C)OC(=O)c1ccc(C[NH2+]CCS(=O)(=O)CC(F)(F)F)s1 ZINC000858189866 662104121 /nfs/dbraw/zinc/10/41/21/662104121.db2.gz XNBABQOJHCKSBE-UHFFFAOYSA-N 1 0 387.445 2.770 20 0 GFADRO CC[NH+]1CCN(CCCNC(=O)/C=C\c2csc(C(F)(F)F)c2)CC1 ZINC000858463076 662112342 /nfs/dbraw/zinc/11/23/42/662112342.db2.gz UJYJIJXNDQWNCC-PLNGDYQASA-N 1 0 375.460 2.924 20 0 GFADRO COC(=O)C1CC[NH+](CCCNC(=O)/C=C/c2ccc(SC)s2)CC1 ZINC000858497103 662113358 /nfs/dbraw/zinc/11/33/58/662113358.db2.gz CMJDZZAHEIYXFK-GQCTYLIASA-N 1 0 382.551 2.875 20 0 GFADRO CON(C)C(=O)[C@@H](C)[NH2+][C@H](C)CCc1ccc(I)cc1 ZINC000858587773 662115733 /nfs/dbraw/zinc/11/57/33/662115733.db2.gz RIRFQJWXLIOMNE-VXGBXAGGSA-N 1 0 390.265 2.610 20 0 GFADRO O=C(/C=C/c1ccc(I)o1)OCC[NH+]1CCCCC1 ZINC000858993792 662131253 /nfs/dbraw/zinc/13/12/53/662131253.db2.gz XUYXKMXSWMOLBE-FNORWQNLSA-N 1 0 375.206 2.927 20 0 GFADRO O=Cc1cc(Br)cc(C(=O)NCC2([NH+]3CCCC3)CCOCC2)c1 ZINC000859226894 662146280 /nfs/dbraw/zinc/14/62/80/662146280.db2.gz RSNDFORCTMYIFQ-UHFFFAOYSA-N 1 0 395.297 2.636 20 0 GFADRO O=S(=O)(NC[C@H]1CC[N@@H+]1C1CCCCC1)c1ccc(C(F)(F)F)cn1 ZINC000859277013 662149388 /nfs/dbraw/zinc/14/93/88/662149388.db2.gz QWGICJLVFCMHGJ-CQSZACIVSA-N 1 0 377.432 2.786 20 0 GFADRO O=C1Nc2ccc(Br)cc2CC[C@H]1[NH+]1CCC2(CC1)OCCCO2 ZINC000859316588 662152670 /nfs/dbraw/zinc/15/26/70/662152670.db2.gz YCCIYELRLQYCTO-MRXNPFEDSA-N 1 0 395.297 2.931 20 0 GFADRO OC[C@@]1([NH2+]Cc2ccc3nonc3c2)CCc2cc(Br)ccc2C1 ZINC000859574031 662168262 /nfs/dbraw/zinc/16/82/62/662168262.db2.gz GHPWZCYRFMOKBJ-GOSISDBHSA-N 1 0 388.265 2.995 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)Nc2cccnc2Br)CC[C@@H]1C(F)(F)F ZINC000859664148 662171703 /nfs/dbraw/zinc/17/17/03/662171703.db2.gz ZXNQNHDQGAVZEQ-IUCAKERBSA-N 1 0 381.196 2.835 20 0 GFADRO Cc1cnc(Br)cc1NC(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000859678383 662172082 /nfs/dbraw/zinc/17/20/82/662172082.db2.gz BGGQDSRQCUWFOG-AWEZNQCLSA-N 1 0 397.317 2.775 20 0 GFADRO Cc1cnc(Br)cc1NC(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000859678384 662172111 /nfs/dbraw/zinc/17/21/11/662172111.db2.gz BGGQDSRQCUWFOG-CQSZACIVSA-N 1 0 397.317 2.775 20 0 GFADRO C[C@@H]1C[C@H](c2ccc(Br)cc2)C[N@@H+]1CCCOC(=O)NC(N)=O ZINC000859960515 662180587 /nfs/dbraw/zinc/18/05/87/662180587.db2.gz HXAWSKDXQMPMNG-YPMHNXCESA-N 1 0 384.274 2.822 20 0 GFADRO CSc1ccc(/C=C/C(=O)N[C@@H](CC(C)C)C(=O)NCC[NH+](C)C)s1 ZINC000860454397 662201461 /nfs/dbraw/zinc/20/14/61/662201461.db2.gz VSHPZPNYJALOPR-VFADXPBXSA-N 1 0 383.583 2.692 20 0 GFADRO CSc1ccc(/C=C/C(=O)N2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)s1 ZINC000860496833 662203059 /nfs/dbraw/zinc/20/30/59/662203059.db2.gz YDSHUHWVTSTRLR-UXILZDJPSA-N 1 0 379.595 2.968 20 0 GFADRO CO[C@@H]1C[N@H+](C)[C@@](C)(COC(=O)c2ccc(C(F)(F)Br)nc2)C1 ZINC000861356371 662242537 /nfs/dbraw/zinc/24/25/37/662242537.db2.gz KBWBPXBIUBVAJY-SMDDNHRTSA-N 1 0 393.228 2.792 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)C(=O)Nc1cccc(SC(F)(F)F)c1)C1CC1 ZINC000861750098 662257299 /nfs/dbraw/zinc/25/72/99/662257299.db2.gz DUKKLLCZQHTHER-CYBMUJFWSA-N 1 0 375.416 2.693 20 0 GFADRO C[NH+](C)[C@@H]1[C@H]2CN(C(=O)COc3ccc(C4SCCCS4)cc3)C[C@H]21 ZINC000861908450 662263230 /nfs/dbraw/zinc/26/32/30/662263230.db2.gz QKYNYICTDXUFSX-VQFNDLOPSA-N 1 0 378.563 2.953 20 0 GFADRO CC[C@H]([NH2+]C[C@H]1CC(F)(F)CN1C(=O)OC(C)(C)C)[C@@H](O)C(F)(F)F ZINC000862291461 662279248 /nfs/dbraw/zinc/27/92/48/662279248.db2.gz JUYBZDVRMKNEOQ-OUAUKWLOSA-N 1 0 376.366 2.923 20 0 GFADRO C[C@@H](C[C@H](C)[NH2+]Cc1cn(C)nc1Br)NC(=O)OC(C)(C)C ZINC000862398364 662285042 /nfs/dbraw/zinc/28/50/42/662285042.db2.gz GNAJUTCRFSJNJA-QWRGUYRKSA-N 1 0 375.311 2.964 20 0 GFADRO CC(C)(C)OC(=O)N1CC(F)(F)C[C@H]1C[NH2+]CC[S@](=O)CC(F)(F)F ZINC000862409046 662286075 /nfs/dbraw/zinc/28/60/75/662286075.db2.gz NIINTSHNEPJGPZ-FORDYWAESA-N 1 0 394.406 2.532 20 0 GFADRO CCOC(=O)C1=CC[C@@H]([NH2+]Cc2ccc(C(=O)OC)cc2Br)C1 ZINC000862489115 662289047 /nfs/dbraw/zinc/28/90/47/662289047.db2.gz ZWMXRLNRUIOKPK-CQSZACIVSA-N 1 0 382.254 2.977 20 0 GFADRO COc1cc(C(=O)NC[C@@H]2CC[N@@H+]2C2CCCCC2)cnc1Br ZINC000862627717 662295147 /nfs/dbraw/zinc/29/51/47/662295147.db2.gz DBKICUIHWAIWAJ-AWEZNQCLSA-N 1 0 382.302 2.990 20 0 GFADRO CC(C)N1CCO[C@@H](C(=[NH2+])NOCc2ccc(Br)c(F)c2F)C1 ZINC000863465290 662334029 /nfs/dbraw/zinc/33/40/29/662334029.db2.gz AGSQMDXCEWJWCS-GFCCVEGCSA-N 1 0 392.244 2.835 20 0 GFADRO CCC1([NH+]2CCOCC2)CCN(C(=O)c2ncsc2Br)CC1 ZINC000863491077 662334761 /nfs/dbraw/zinc/33/47/61/662334761.db2.gz QDNZSMDTLHEKPV-UHFFFAOYSA-N 1 0 388.331 2.623 20 0 GFADRO C[C@@H](c1ccc(Br)cc1)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000863550159 662336292 /nfs/dbraw/zinc/33/62/92/662336292.db2.gz ZQHZDXJCWXOBIB-VUCTXSBTSA-N 1 0 394.313 2.767 20 0 GFADRO Cc1nn(C)c2nc(Cl)c(CN3CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C3)cc12 ZINC000863646550 662342593 /nfs/dbraw/zinc/34/25/93/662342593.db2.gz MDMKNARRNPBMHV-WCQYABFASA-N 1 0 375.826 2.889 20 0 GFADRO F[C@H](c1nc(-c2n[nH]c(-c3cccc(Br)c3)n2)no1)[C@@H]1CC[NH2+]C1 ZINC000863671736 662343559 /nfs/dbraw/zinc/34/35/59/662343559.db2.gz CRLRTSOXLWRBHM-KOLCDFICSA-N 1 0 393.220 2.904 20 0 GFADRO O=C(c1cc(Br)cn2ccnc12)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000865057531 662396562 /nfs/dbraw/zinc/39/65/62/662396562.db2.gz GLARQXTVXYOWBD-CQSZACIVSA-N 1 0 377.286 2.797 20 0 GFADRO C[NH+](C)C[C@@H](NC(=S)NC[C@H]1CCOC1)c1cccc(C(F)(F)F)c1 ZINC000865243014 662407274 /nfs/dbraw/zinc/40/72/74/662407274.db2.gz KYCGEILWPKWAEN-IUODEOHRSA-N 1 0 375.460 2.809 20 0 GFADRO C[NH+](C)C[C@H](NC(=S)NC[C@@H]1CCOC1)c1cccc(C(F)(F)F)c1 ZINC000865243016 662407376 /nfs/dbraw/zinc/40/73/76/662407376.db2.gz KYCGEILWPKWAEN-WFASDCNBSA-N 1 0 375.460 2.809 20 0 GFADRO CC(C)(C)OC(=O)N[C@@H](C[NH2+][C@@H]1CCN(CC(F)(F)F)C1)CC(F)F ZINC000865438157 662421481 /nfs/dbraw/zinc/42/14/81/662421481.db2.gz NFAXRYKTQGUYER-GHMZBOCLSA-N 1 0 375.382 2.761 20 0 GFADRO C[C@H](C[NH2+]Cc1cn(C[C@H]2CCCO2)nn1)Oc1cccc(Br)c1 ZINC000865478691 662424017 /nfs/dbraw/zinc/42/40/17/662424017.db2.gz LYBQFQIOHFVQQI-CXAGYDPISA-N 1 0 395.301 2.777 20 0 GFADRO Brc1ccc(-c2noc(N3CC[NH+](C[C@H]4CCOC4)CC3)n2)cc1 ZINC000865591244 662430882 /nfs/dbraw/zinc/43/08/82/662430882.db2.gz DCWDZFXAHFGIJS-CYBMUJFWSA-N 1 0 393.285 2.658 20 0 GFADRO CC(C)(C)OC(=O)N[C@H](C[NH2+][C@H]1CCN(CC(F)F)C1)CC(F)(F)F ZINC000865605490 662432007 /nfs/dbraw/zinc/43/20/07/662432007.db2.gz BMOUTIFTJCNVAG-QWRGUYRKSA-N 1 0 375.382 2.761 20 0 GFADRO COc1ncc(Br)cc1C[NH2+]C[C@H]1c2ccccc2C(=O)N1C ZINC000865643825 662433760 /nfs/dbraw/zinc/43/37/60/662433760.db2.gz TZSLDYRVDMMERH-HNNXBMFYSA-N 1 0 376.254 2.769 20 0 GFADRO Cn1ncc2cc(C[NH2+][C@](C)(CO)Cc3ccc(Br)cc3)cnc21 ZINC000865715398 662438511 /nfs/dbraw/zinc/43/85/11/662438511.db2.gz RJPWDSISIFKFKS-SFHVURJKSA-N 1 0 389.297 2.814 20 0 GFADRO CCN1CC[NH+](C[C@H](C)CNC(=O)c2cc3c(ccnc3Cl)s2)CC1 ZINC000865801594 662444318 /nfs/dbraw/zinc/44/43/18/662444318.db2.gz ACDPEKHPIYNRQU-CYBMUJFWSA-N 1 0 380.945 2.953 20 0 GFADRO C/C(=C\c1ccc(Br)o1)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000865896361 662449865 /nfs/dbraw/zinc/44/98/65/662449865.db2.gz HDXOCGWFUSIPHL-ZQHYZAEZSA-N 1 0 396.329 2.684 20 0 GFADRO CC(=O)N[C@H](C(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1)c1cccc(Br)c1 ZINC000866050307 662458485 /nfs/dbraw/zinc/45/84/85/662458485.db2.gz YQSHWOSCNRJCPN-ZLIFDBKOSA-N 1 0 396.329 2.567 20 0 GFADRO C[N@@H+]1CC[C@H]2CN(c3ncc(Cn4cc(Br)cn4)s3)CC[C@H]21 ZINC000866207350 662464325 /nfs/dbraw/zinc/46/43/25/662464325.db2.gz IEXRUWIIYMWCCO-SMDDNHRTSA-N 1 0 382.331 2.681 20 0 GFADRO COc1cc(C2SCCS2)ccc1OS(=O)(=O)CCC[NH+](C)C ZINC000866403437 662470485 /nfs/dbraw/zinc/47/04/85/662470485.db2.gz TWWFQTUPHPHFNN-UHFFFAOYSA-N 1 0 377.553 2.834 20 0 GFADRO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@H]1CCN(CC(C)(C)O)C1 ZINC000866411701 662471312 /nfs/dbraw/zinc/47/13/12/662471312.db2.gz UEJDCAQYJASVHH-CJNGLKHVSA-N 1 0 398.345 2.601 20 0 GFADRO [NH3+][C@@H]1CCCO[C@H]1C1CCN(S(=O)(=O)Cc2ccc(F)cc2Cl)CC1 ZINC000866772554 662496554 /nfs/dbraw/zinc/49/65/54/662496554.db2.gz WHDHDQHQZMSZLZ-SJORKVTESA-N 1 0 390.908 2.527 20 0 GFADRO O=S(=O)(c1cc(Cl)cnc1Cl)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000866775892 662497267 /nfs/dbraw/zinc/49/72/67/662497267.db2.gz QDZLPLWQYNGRKD-LBPRGKRZSA-N 1 0 378.325 2.789 20 0 GFADRO [NH3+]CC12CCC(CC1)N2S(=O)(=O)c1c(Cl)cccc1Br ZINC000866794262 662499155 /nfs/dbraw/zinc/49/91/55/662499155.db2.gz IMEGHPVXIZHKLK-UHFFFAOYSA-N 1 0 379.707 2.747 20 0 GFADRO Cc1ccc(Br)c(CS(=O)(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)c1 ZINC000866866732 662504912 /nfs/dbraw/zinc/50/49/12/662504912.db2.gz VJJIDLNHPRJDCA-CZUORRHYSA-N 1 0 389.359 2.859 20 0 GFADRO C[NH+]1CCC([C@@H]2CCN(S(=O)(=O)c3ccc4onc(Cl)c4c3)C2)CC1 ZINC000867013506 662516539 /nfs/dbraw/zinc/51/65/39/662516539.db2.gz WLVYNDCDZOXGNV-CYBMUJFWSA-N 1 0 383.901 2.834 20 0 GFADRO COCCCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cc(Cl)cnc1Cl ZINC000867281450 662538670 /nfs/dbraw/zinc/53/86/70/662538670.db2.gz FNKXTYPQCXUWGE-UHFFFAOYSA-N 1 0 396.340 2.510 20 0 GFADRO CN(Cc1ccc(Cl)s1)C(=O)C(=O)N1CCC2(CC1)CC[NH+](C)CC2 ZINC000867298750 662539964 /nfs/dbraw/zinc/53/99/64/662539964.db2.gz MQFSIFKCPKNRCF-UHFFFAOYSA-N 1 0 383.945 2.694 20 0 GFADRO COc1cc(Cl)c(S(=O)(=O)N2CC[C@H]3[C@H](CC[N@@H+]3C)C2)cc1Cl ZINC000867812294 662579155 /nfs/dbraw/zinc/57/91/55/662579155.db2.gz JJNINDGNWIVGHF-MFKMUULPSA-N 1 0 379.309 2.717 20 0 GFADRO [NH3+][C@@H]1CCCN(C(=O)c2c(F)ccc(I)c2Cl)C1 ZINC000867927129 662587534 /nfs/dbraw/zinc/58/75/34/662587534.db2.gz BUTCQGXDNKPUJA-SSDOTTSWSA-N 1 0 382.604 2.647 20 0 GFADRO [NH3+][C@@H](C(=O)Nc1ccc(N2CCOCC2)cc1)c1cccc(Br)c1 ZINC000867953630 662589053 /nfs/dbraw/zinc/58/90/53/662589053.db2.gz BUHVICJSBSYHAT-QGZVFWFLSA-N 1 0 390.281 2.924 20 0 GFADRO COCCC1(NC(=O)Cc2ccc(Cl)cc2Br)CC[NH2+]CC1 ZINC000868042675 662592207 /nfs/dbraw/zinc/59/22/07/662592207.db2.gz RZSKYIGKVJWZSV-UHFFFAOYSA-N 1 0 389.721 2.920 20 0 GFADRO COCCC1(NC(=O)CCCOc2ccccc2Br)CC[NH2+]CC1 ZINC000868039591 662592239 /nfs/dbraw/zinc/59/22/39/662592239.db2.gz DRZKVJKCIFVVDO-UHFFFAOYSA-N 1 0 399.329 2.883 20 0 GFADRO CC(C)C[NH+]1CCC(NC(=O)NCc2ncc(Br)s2)CC1 ZINC000868086031 662594083 /nfs/dbraw/zinc/59/40/83/662594083.db2.gz ZNOHPMAOYWVGDC-UHFFFAOYSA-N 1 0 375.336 2.825 20 0 GFADRO O=C(Nc1cc2c(cc1Br)OCCO2)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000868094936 662594425 /nfs/dbraw/zinc/59/44/25/662594425.db2.gz RSGPQBBWAGMJKN-AAEUAGOBSA-N 1 0 382.258 2.579 20 0 GFADRO O=C(Nc1cc2ccccc2nc1Br)N1CCC([NH2+]CCO)CC1 ZINC000868155810 662596753 /nfs/dbraw/zinc/59/67/53/662596753.db2.gz SZXJIIODRIJFBP-UHFFFAOYSA-N 1 0 393.285 2.576 20 0 GFADRO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)N[C@H]1COc2cccc(Br)c2C1 ZINC000868355943 662602765 /nfs/dbraw/zinc/60/27/65/662602765.db2.gz URHXOQGBWYIUPN-CHWSQXEVSA-N 1 0 394.313 2.536 20 0 GFADRO C[NH+](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)OCc1cc(Cl)nc(Cl)c1 ZINC000869832023 662663693 /nfs/dbraw/zinc/66/36/93/662663693.db2.gz FHCLLZLEZOHWJM-NSHDSACASA-N 1 0 392.283 2.887 20 0 GFADRO CC[C@H](C[NH+](C)C)OC(=O)c1cnn(C(C)C)c1I ZINC000870544083 662694364 /nfs/dbraw/zinc/69/43/64/662694364.db2.gz BECPLVVFGCBERU-SNVBAGLBSA-N 1 0 379.242 2.566 20 0 GFADRO [NH3+][C@H]1CC[C@@H](C(=O)NC[C@@H]2CCN(c3cccc(Br)c3)C2)CC1 ZINC000870873186 662704214 /nfs/dbraw/zinc/70/42/14/662704214.db2.gz DGHCMIMGYFVYRW-OFQRWUPVSA-N 1 0 380.330 2.909 20 0 GFADRO CCN(CC)C(=O)C1CCN(C(=O)[C@H]([NH3+])c2cccc(Br)c2)CC1 ZINC000870875560 662704361 /nfs/dbraw/zinc/70/43/61/662704361.db2.gz GHABRKOZVRHQHW-MRXNPFEDSA-N 1 0 396.329 2.556 20 0 GFADRO [NH3+]CC1CCN(C(=O)c2c(F)ccc(I)c2Cl)CC1 ZINC000870932826 662708969 /nfs/dbraw/zinc/70/89/69/662708969.db2.gz LGIPIUHYNGRULD-UHFFFAOYSA-N 1 0 396.631 2.895 20 0 GFADRO [NH3+][C@H]1C[C@H](CNC(=O)c2cnn(-c3ncccc3Cl)c2C(F)(F)Cl)C1 ZINC000870970568 662711826 /nfs/dbraw/zinc/71/18/26/662711826.db2.gz AIQUCIZZFWRUAC-KYZUINATSA-N 1 0 390.221 2.676 20 0 GFADRO CCO[C@@H]1C[C@@]([NH3+])(C(=O)N[C@H](COC)c2cccc(Br)c2)C1(C)C ZINC000871009366 662712597 /nfs/dbraw/zinc/71/25/97/662712597.db2.gz OSQZVOBOKDICOV-IIDMSEBBSA-N 1 0 399.329 2.785 20 0 GFADRO C[NH+](C)C1(C)CCC(NC(=O)c2cc(I)c[nH]2)CC1 ZINC000871358216 662720450 /nfs/dbraw/zinc/72/04/50/662720450.db2.gz MGKVXWUSWKOEME-UHFFFAOYSA-N 1 0 375.254 2.612 20 0 GFADRO CN(Cc1nc(C2C[C@H]3CC[C@@H](C2)[NH2+]3)no1)C(=O)c1ccc(Br)o1 ZINC000871795627 662734290 /nfs/dbraw/zinc/73/42/90/662734290.db2.gz VSKWXDLGAJCKGQ-FGWVZKOKSA-N 1 0 395.257 2.695 20 0 GFADRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2cccc(Cl)c2Cl)C[C@@H]1C(F)(F)F ZINC000871811842 662734856 /nfs/dbraw/zinc/73/48/56/662734856.db2.gz SMZTXQYBDWUCSV-SFYZADRCSA-N 1 0 377.215 2.751 20 0 GFADRO [NH3+]C[C@H]1CN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)C[C@H]1C(F)(F)F ZINC000871814487 662735471 /nfs/dbraw/zinc/73/54/71/662735471.db2.gz VFJQCGORJVYKCP-VHSXEESVSA-N 1 0 391.242 2.892 20 0 GFADRO O=S(=O)(N[C@@H]1CCCCC12CC[NH2+]CC2)c1cnccc1C(F)(F)F ZINC000871818009 662735793 /nfs/dbraw/zinc/73/57/93/662735793.db2.gz JUZRCEQFNJMKOS-CQSZACIVSA-N 1 0 377.432 2.691 20 0 GFADRO Cn1nnc2c1CC[C@H]([NH2+][C@H](c1cccc(Br)c1)[C@@H]1CCOC1)C2 ZINC000872083720 662755632 /nfs/dbraw/zinc/75/56/32/662755632.db2.gz NXEYGGMNSZZVRH-QIIPPGSGSA-N 1 0 391.313 2.802 20 0 GFADRO C[C@@H]([NH2+]CC1C[C@H]2CC[C@@H](C1)S2(=O)=O)c1ncc(Br)cc1F ZINC000872119156 662756230 /nfs/dbraw/zinc/75/62/30/662756230.db2.gz OLRWIUIPPIKQFM-KVAMGIGCSA-N 1 0 391.306 2.990 20 0 GFADRO [NH3+]C[C@@H]1CN([C@@H]2CCN(c3ccc(Cl)cc3F)C2=O)C[C@@H]1C(F)(F)F ZINC000872150538 662756824 /nfs/dbraw/zinc/75/68/24/662756824.db2.gz WWXJGKRSAZGAOD-OLUVUFQESA-N 1 0 379.785 2.653 20 0 GFADRO CS(=O)(=O)Cc1nc(CN2CCC[C@@H](C[C@H]([NH3+])C3CCCC3)C2)cs1 ZINC000872156321 662757140 /nfs/dbraw/zinc/75/71/40/662757140.db2.gz HYSBKFHUTUDDKG-YOEHRIQHSA-N 1 0 385.599 2.807 20 0 GFADRO CC(C)(O)C[C@H](O)C[NH2+]Cc1ccc(Cl)cc1I ZINC000872206915 662757731 /nfs/dbraw/zinc/75/77/31/662757731.db2.gz JEHBGNKBRRMQFC-NSHDSACASA-N 1 0 383.657 2.556 20 0 GFADRO Cc1nccnc1[C@H](C)[NH2+]C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000872252816 662759350 /nfs/dbraw/zinc/75/93/50/662759350.db2.gz VZMVQCIBCPEZRV-FZMZJTMJSA-N 1 0 384.249 2.777 20 0 GFADRO CC(C)(C)[S@](C)(=O)=NS(=O)(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000872437007 662766304 /nfs/dbraw/zinc/76/63/04/662766304.db2.gz XXWSWGOIHMNAIW-DEOSSOPVSA-N 1 0 393.619 2.716 20 0 GFADRO C[C@@H]1C[N@H+](CCCNS(=O)(=O)c2ccc(F)c(C(F)F)c2)CCCO1 ZINC000872478710 662771193 /nfs/dbraw/zinc/77/11/93/662771193.db2.gz AJWNCGFETPQNAP-GFCCVEGCSA-N 1 0 380.432 2.543 20 0 GFADRO COC(=O)N1CCC([NH2+]Cc2cccc(F)c2I)CC1 ZINC000873021579 662796599 /nfs/dbraw/zinc/79/65/99/662796599.db2.gz CVFYFHOUUVWFAW-UHFFFAOYSA-N 1 0 392.212 2.751 20 0 GFADRO O=C(NCc1ccc(C(F)(F)F)s1)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000873072046 662798701 /nfs/dbraw/zinc/79/87/01/662798701.db2.gz PPCSTDWKTFBLSE-LBPRGKRZSA-N 1 0 377.432 2.819 20 0 GFADRO CN(Cc1cc2c(s1)CC[NH2+]C2)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000873209920 662803966 /nfs/dbraw/zinc/80/39/66/662803966.db2.gz WBCYJBUXMSQVLK-INIZCTEOSA-N 1 0 394.338 2.815 20 0 GFADRO COCCC1(NCc2cn(-c3cccc(Cl)c3Cl)nn2)CC[NH2+]CC1 ZINC000873225118 662804184 /nfs/dbraw/zinc/80/41/84/662804184.db2.gz NJSAMIUTJOUITC-UHFFFAOYSA-N 1 0 384.311 2.822 20 0 GFADRO Cc1ccc(NC(=O)N2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)c(Br)n1 ZINC000873312683 662805236 /nfs/dbraw/zinc/80/52/36/662805236.db2.gz DHAGQTFJMVHJDZ-DTWKUNHWSA-N 1 0 381.196 2.753 20 0 GFADRO COCCOc1ccc(Br)cc1NC(=O)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000873317741 662805302 /nfs/dbraw/zinc/80/53/02/662805302.db2.gz SEUVWFPGXABWAJ-WBVHZDCISA-N 1 0 398.301 2.880 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)Nc2ncc(C3CCOCC3)s2)C[C@H]1C(F)(F)F ZINC000873329145 662805573 /nfs/dbraw/zinc/80/55/73/662805573.db2.gz UATQLWHOTJEWKV-GHMZBOCLSA-N 1 0 378.420 2.638 20 0 GFADRO Cc1c(Br)nccc1NC(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000873329516 662805647 /nfs/dbraw/zinc/80/56/47/662805647.db2.gz WOZDLFRXTDTMLE-DTWKUNHWSA-N 1 0 381.196 2.753 20 0 GFADRO [NH3+]C[C@@H]1CN(N2CCO[C@H](c3c(F)cccc3Cl)C2)C[C@H]1C(F)(F)F ZINC000873331655 662805662 /nfs/dbraw/zinc/80/56/62/662805662.db2.gz CDYMNQNBFUAQHW-GYSYKLTISA-N 1 0 381.801 2.836 20 0 GFADRO Cc1cc(Br)nc(NC(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)c1 ZINC000873330518 662805669 /nfs/dbraw/zinc/80/56/69/662805669.db2.gz XFMJOFGZZOGBKA-BDAKNGLRSA-N 1 0 381.196 2.753 20 0 GFADRO C[NH+](C)CC1CCN(C(=O)C(=O)Nc2cc(Cl)cc(Cl)c2F)CC1 ZINC000873680695 662811710 /nfs/dbraw/zinc/81/17/10/662811710.db2.gz GABDFANPLJMURZ-UHFFFAOYSA-N 1 0 376.259 2.871 20 0 GFADRO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)c1ccc(I)cc1F ZINC000874825380 662837400 /nfs/dbraw/zinc/83/74/00/662837400.db2.gz JBQDYUMCFPQGPU-KBPBESRZSA-N 1 0 388.224 2.739 20 0 GFADRO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)c1cc(Br)c2c(c1)OCCO2 ZINC000874836128 662837910 /nfs/dbraw/zinc/83/79/10/662837910.db2.gz BQMHOAUYZIXJPL-UONOGXRCSA-N 1 0 381.270 2.529 20 0 GFADRO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)c1ccn(-c2cccc(Br)c2)n1 ZINC000874836713 662838038 /nfs/dbraw/zinc/83/80/38/662838038.db2.gz DGVJDMNJFVLSAT-IRXDYDNUSA-N 1 0 389.297 2.944 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)NCc1ncc(Br)s1)Cc1ccccc1 ZINC000875001724 662840585 /nfs/dbraw/zinc/84/05/85/662840585.db2.gz KIUTZRLHSJBBMU-ZDUSSCGKSA-N 1 0 397.342 2.878 20 0 GFADRO COC[C@@H](NC(=O)NCC1CC[NH+](C)CC1)c1cccc(Br)c1 ZINC000875238604 662843742 /nfs/dbraw/zinc/84/37/42/662843742.db2.gz PTTQJBFJKINDKJ-MRXNPFEDSA-N 1 0 384.318 2.778 20 0 GFADRO COCCN(CC1CC[NH+](C)CC1)C(=O)NCc1ccc(Br)cc1 ZINC000875251758 662843957 /nfs/dbraw/zinc/84/39/57/662843957.db2.gz SERXPOILQDTTNX-UHFFFAOYSA-N 1 0 398.345 2.949 20 0 GFADRO CN(CC[NH+]1CC2(C1)CCOCC2)C(=O)NCC[C@@]1(C)CC1(Cl)Cl ZINC000875643778 662849589 /nfs/dbraw/zinc/84/95/89/662849589.db2.gz YJWXNHWAPTVSBH-HNNXBMFYSA-N 1 0 378.344 2.714 20 0 GFADRO CCOC(=O)Cc1csc(N(CC[NH+](C)C)C(=O)c2sccc2C)n1 ZINC000876317404 662859611 /nfs/dbraw/zinc/85/96/11/662859611.db2.gz XIQGBYSMLVYZSE-UHFFFAOYSA-N 1 0 381.523 2.827 20 0 GFADRO [NH3+]CCCOC1CCN(C(=O)c2cc(F)c(Br)cc2F)CC1 ZINC000876542188 662862631 /nfs/dbraw/zinc/86/26/31/662862631.db2.gz LJMFPXUKMJVURM-UHFFFAOYSA-N 1 0 377.229 2.697 20 0 GFADRO [NH3+][C@H](C(=O)N[C@@H]1CCCc2[nH]c(=O)ccc21)c1cccc(Br)c1 ZINC000876573092 662862968 /nfs/dbraw/zinc/86/29/68/662862968.db2.gz UZBBRZKHXJYQJV-ZBFHGGJFSA-N 1 0 376.254 2.743 20 0 GFADRO Cc1sc(C[NH+]2CCC(C(=O)NCCCO)CC2)cc1Br ZINC000876577896 662863043 /nfs/dbraw/zinc/86/30/43/662863043.db2.gz TXNSLASPSZOSIK-UHFFFAOYSA-N 1 0 375.332 2.530 20 0 GFADRO O=C(/C=C\[C@@H]1CCC[NH2+]C1)N1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000876615456 662863552 /nfs/dbraw/zinc/86/35/52/662863552.db2.gz FOOWMSKVLXTLAR-UUGUWNRWSA-N 1 0 379.298 2.905 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)/C=C\[C@H]1CCC[NH2+]C1 ZINC000876633236 662863865 /nfs/dbraw/zinc/86/38/65/662863865.db2.gz PAXDTHMRRUMAFM-HJHHMULASA-N 1 0 394.313 2.758 20 0 GFADRO C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)NCCC(=O)Nc1cc(Br)ccc1C ZINC000876636437 662864024 /nfs/dbraw/zinc/86/40/24/662864024.db2.gz YGMDQRFVJVZGOA-SQLJOLKNSA-N 1 0 394.313 2.614 20 0 GFADRO COc1cccc(C[C@@H]([NH3+])C(=O)NC[C@@H](O)c2ccc(Cl)cc2Cl)c1 ZINC000876657558 662864511 /nfs/dbraw/zinc/86/45/11/662864511.db2.gz HRNMNGPMRBNCHA-IAGOWNOFSA-N 1 0 383.275 2.722 20 0 GFADRO COC(=O)c1ccc(CN2CC[NH+](C3CCOCC3)CC2)cc1Br ZINC000876761410 662865934 /nfs/dbraw/zinc/86/59/34/662865934.db2.gz WBDXHOQIQLOCIJ-UHFFFAOYSA-N 1 0 397.313 2.532 20 0 GFADRO CC(C)[N@H+](CCS(C)(=O)=O)C[C@@H]1CCCCN(C(=O)OC(C)(C)C)C1 ZINC000876773488 662866191 /nfs/dbraw/zinc/86/61/91/662866191.db2.gz SIMRTDAFDNYIAO-INIZCTEOSA-N 1 0 376.563 2.779 20 0 GFADRO O=C([C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000876844321 662867191 /nfs/dbraw/zinc/86/71/91/662867191.db2.gz ZDOZWQPBURAOGH-XZKMEQPCSA-N 1 0 375.310 2.937 20 0 GFADRO O=C(NCc1cc(Br)ccc1Br)[C@H](F)[C@H]1CC[NH2+]C1 ZINC000876880762 662867634 /nfs/dbraw/zinc/86/76/34/662867634.db2.gz ZLRIQRPUPGWDMH-QPUJVOFHSA-N 1 0 394.082 2.775 20 0 GFADRO C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)NCc1noc(-c2cccc(Br)c2)n1 ZINC000876910691 662867934 /nfs/dbraw/zinc/86/79/34/662867934.db2.gz JKBGQHLQRXJYFD-FGXQHOCZSA-N 1 0 391.269 2.527 20 0 GFADRO [NH3+][C@@H]1CN(C(=O)c2cc(Br)cnc2F)C[C@H]1c1cccc(F)c1 ZINC000876921209 662868102 /nfs/dbraw/zinc/86/81/02/662868102.db2.gz MMAQFTVQBOQHCG-UONOGXRCSA-N 1 0 382.208 2.689 20 0 GFADRO [NH3+][C@H]1CCCO[C@H]1C1CCN(C(=O)C(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000876919308 662868137 /nfs/dbraw/zinc/86/81/37/662868137.db2.gz SQMIYKJXILULHL-RDJZCZTQSA-N 1 0 385.291 2.921 20 0 GFADRO O=C(Nc1ccc([C@@H]2C[NH2+]CCO2)cc1)c1cc(Br)cnc1F ZINC000876968384 662868874 /nfs/dbraw/zinc/86/88/74/662868874.db2.gz HGUDDYYAAWOOEG-AWEZNQCLSA-N 1 0 380.217 2.896 20 0 GFADRO CCO[P@@](C)(=O)CC[C@@H](C)[NH2+]Cc1ccc(N(C)S(C)(=O)=O)cc1 ZINC000877009413 662869600 /nfs/dbraw/zinc/86/96/00/662869600.db2.gz ZWPVUOSGPYCTJU-QKFKETGDSA-N 1 0 376.459 2.895 20 0 GFADRO Cc1cc(N2CC[C@@H]([NH2+]Cc3cc4nc(Cl)ccc4s3)C2=O)n(C)n1 ZINC000877070387 662870691 /nfs/dbraw/zinc/87/06/91/662870691.db2.gz WRNHYQQCDWTEFJ-GFCCVEGCSA-N 1 0 375.885 2.887 20 0 GFADRO COc1cnc(F)c(C[NH2+]C[C@@H](O)COc2ccccc2Br)c1 ZINC000877110227 662871169 /nfs/dbraw/zinc/87/11/69/662871169.db2.gz NLDISQIUPMNMMJ-GFCCVEGCSA-N 1 0 385.233 2.521 20 0 GFADRO O=S(=O)(N1CCC([NH2+]C[C@H]2CCc3ccccc3C2)CC1)C(F)(F)F ZINC000877108813 662871198 /nfs/dbraw/zinc/87/11/98/662871198.db2.gz UAPDGYCVDUFEOT-ZDUSSCGKSA-N 1 0 376.444 2.695 20 0 GFADRO O=S(=O)(N1CCC([NH2+]C[C@@H]2CCc3ccccc3C2)CC1)C(F)(F)F ZINC000877108812 662871226 /nfs/dbraw/zinc/87/12/26/662871226.db2.gz UAPDGYCVDUFEOT-CYBMUJFWSA-N 1 0 376.444 2.695 20 0 GFADRO COC(=O)c1ccc(C[NH2+][C@@H]2CCO[C@@]3(CCOC3)C2)cc1Br ZINC000877132771 662871554 /nfs/dbraw/zinc/87/15/54/662871554.db2.gz MXIZKMDPLPMLLH-DYVFJYSZSA-N 1 0 384.270 2.663 20 0 GFADRO [NH3+]CC12CCC(CC1)N2C(=O)c1cnn(-c2ccccc2)c1Br ZINC000877184694 662872075 /nfs/dbraw/zinc/87/20/75/662872075.db2.gz QFIYZLWKGKMXNC-UHFFFAOYSA-N 1 0 375.270 2.731 20 0 GFADRO C[C@]([NH3+])(C(=O)N1CCOc2cc(N)ccc2C1)c1ccc(Br)cc1 ZINC000877211106 662872282 /nfs/dbraw/zinc/87/22/82/662872282.db2.gz QGWCOQZJWACRNX-GOSISDBHSA-N 1 0 390.281 2.626 20 0 GFADRO O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1CCO[C@H]1c1cncc(Br)c1 ZINC000877247144 662872513 /nfs/dbraw/zinc/87/25/13/662872513.db2.gz ZZDFPTMHIZUCAE-WTBGCVQCSA-N 1 0 394.313 2.569 20 0 GFADRO CN(C)c1ncc(Br)cc1C(=O)N1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000877257505 662872534 /nfs/dbraw/zinc/87/25/34/662872534.db2.gz CXQCNRZQLOIYFS-QGZVFWFLSA-N 1 0 383.334 2.747 20 0 GFADRO O=C(c1cc(F)c(F)cc1I)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000877281114 662873068 /nfs/dbraw/zinc/87/30/68/662873068.db2.gz YYGYJODNZBAAKV-STQMWFEESA-N 1 0 392.187 2.536 20 0 GFADRO Cc1nc(C(=O)N2CCC[C@H]3[NH2+]CC[C@H]32)nn1-c1c(Cl)cccc1Cl ZINC000877283310 662873147 /nfs/dbraw/zinc/87/31/47/662873147.db2.gz VPYCFOXDLJJWTA-ZIAGYGMSSA-N 1 0 380.279 2.849 20 0 GFADRO O=C(NC[C@H]1CC2(CO1)CC[NH2+]CC2)c1ccc(SC(F)(F)F)nc1 ZINC000877327492 662873644 /nfs/dbraw/zinc/87/36/44/662873644.db2.gz ULSWVJYZWIXYPQ-GFCCVEGCSA-N 1 0 375.416 2.582 20 0 GFADRO Cc1cc(Br)ccc1CC(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000877329103 662873761 /nfs/dbraw/zinc/87/37/61/662873761.db2.gz NUDXPOQPMZZVEN-INIZCTEOSA-N 1 0 381.314 2.575 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)c2cc(Br)cc3nc[nH]c32)C[C@H]1C(F)(F)F ZINC000877353880 662874138 /nfs/dbraw/zinc/87/41/38/662874138.db2.gz VPFQYTAIZHETRS-OIBJUYFYSA-N 1 0 391.191 2.535 20 0 GFADRO CO[C@H](C(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1)c1ccccc1Br ZINC000877355895 662874182 /nfs/dbraw/zinc/87/41/82/662874182.db2.gz LFINVUFZIZARBE-XWIASGKRSA-N 1 0 395.219 2.732 20 0 GFADRO CC(C)(C)n1ncc(C(=O)N2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)c1Br ZINC000877355026 662874218 /nfs/dbraw/zinc/87/42/18/662874218.db2.gz FWAWDIGKIONEKC-WCBMZHEXSA-N 1 0 397.239 2.610 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)c2sc(N3CCCC3)nc2Cl)C[C@@H]1C(F)(F)F ZINC000877363387 662874621 /nfs/dbraw/zinc/87/46/21/662874621.db2.gz DETJFLDVNXMXNT-IUCAKERBSA-N 1 0 382.839 2.606 20 0 GFADRO CN(C)c1nc2sc(C(=O)N3C[C@H](C[NH3+])[C@H](C(F)(F)F)C3)cc2s1 ZINC000877362236 662874627 /nfs/dbraw/zinc/87/46/27/662874627.db2.gz ZFOQNKKBXHCVHG-JGVFFNPUSA-N 1 0 378.445 2.633 20 0 GFADRO CN(CCCCCC[NH3+])C(=O)CCNC(=O)c1ccc(Br)cc1 ZINC000877441593 662876040 /nfs/dbraw/zinc/87/60/40/662876040.db2.gz GWTFIOZARWVTJU-UHFFFAOYSA-N 1 0 384.318 2.547 20 0 GFADRO Cn1cc(Br)c(C(=O)N2CCC[C@@H](C[C@H]([NH3+])C3CCCC3)C2)n1 ZINC000877447317 662876155 /nfs/dbraw/zinc/87/61/55/662876155.db2.gz XZXUTVNEFKBWKY-WFASDCNBSA-N 1 0 383.334 2.942 20 0 GFADRO CN(C(=O)COCC[NH3+])[C@H](c1ccccc1)c1ccccc1Br ZINC000877454644 662876320 /nfs/dbraw/zinc/87/63/20/662876320.db2.gz BZHIKDFJNJLHAH-GOSISDBHSA-N 1 0 377.282 2.972 20 0 GFADRO Cc1ccc(NC(=O)C2(S(C)(=O)=O)CC[NH2+]CC2)cc1-c1ccsc1 ZINC000877456817 662876322 /nfs/dbraw/zinc/87/63/22/662876322.db2.gz YOFMXEJIZDLIDE-UHFFFAOYSA-N 1 0 378.519 2.829 20 0 GFADRO O=S(=O)(NCC[NH2+]C[C@@H]1CC1(Cl)Cl)c1ccc(F)cc1Cl ZINC000877503337 662877287 /nfs/dbraw/zinc/87/72/87/662877287.db2.gz JEJPRTABVKLYKO-QMMMGPOBSA-N 1 0 375.680 2.541 20 0 GFADRO CCO[P@@](C)(=O)CC[C@H](C)[NH2+]CCn1cc(Br)ccc1=O ZINC000877556300 662878740 /nfs/dbraw/zinc/87/87/40/662878740.db2.gz OTYUQFKCKMYDOP-LAJNKCICSA-N 1 0 379.235 2.923 20 0 GFADRO CCCC[N@H+](Cc1cccc(S(N)(=O)=O)c1)[C@@H]1CCc2ncsc2C1 ZINC000877608841 662879890 /nfs/dbraw/zinc/87/98/90/662879890.db2.gz ZUPKRKWJBKKZEO-OAHLLOKOSA-N 1 0 379.551 2.950 20 0 GFADRO COC(=O)N(C)CC[NH2+][C@H]1CCN(C)[C@@H](c2ccc(Br)cc2)C1 ZINC000877633433 662880496 /nfs/dbraw/zinc/88/04/96/662880496.db2.gz KXSDNIIISSXHEA-JKSUJKDBSA-N 1 0 384.318 2.872 20 0 GFADRO CCOP(=O)(CCC[NH2+][C@@H]1CS(=O)(=O)Cc2ccccc21)OCC ZINC000877647862 662880692 /nfs/dbraw/zinc/88/06/92/662880692.db2.gz VCYKLRNQAUVHEI-MRXNPFEDSA-N 1 0 375.427 2.902 20 0 GFADRO Cc1nn(Cc2ccccc2Cl)c(Cl)c1CN1C[C@H](CO)[C@H](CO)C1 ZINC000877764814 662883178 /nfs/dbraw/zinc/88/31/78/662883178.db2.gz PPAYDJALQPYYJI-GASCZTMLSA-N 1 0 384.307 2.579 20 0 GFADRO O=C1NCCC12CC[NH+](Cc1cc(Br)c3c(c1)OCCCO3)CC2 ZINC000877783205 662883656 /nfs/dbraw/zinc/88/36/56/662883656.db2.gz JKYUIIBDWVUKOM-UHFFFAOYSA-N 1 0 395.297 2.713 20 0 GFADRO C[N@@H+]1CC[C@H]2CN(C(=O)Nc3ccccc3I)CC[C@H]21 ZINC000877909393 662885735 /nfs/dbraw/zinc/88/57/35/662885735.db2.gz HBQAJHGHFXYWDB-SMDDNHRTSA-N 1 0 385.249 2.849 20 0 GFADRO O[C@H](C[NH+]1CCC(n2cc(Br)cn2)CC1)CC1(O)CCCCC1 ZINC000878092611 662889757 /nfs/dbraw/zinc/88/97/57/662889757.db2.gz WCEVVGLHUFXMCW-INIZCTEOSA-N 1 0 386.334 2.729 20 0 GFADRO COC(=O)CCC[N@@H+](Cc1ccccc1)C[C@H](O)c1cc(Br)no1 ZINC000878203059 662891571 /nfs/dbraw/zinc/89/15/71/662891571.db2.gz WXOAUXJQJDJQCQ-AWEZNQCLSA-N 1 0 397.269 2.926 20 0 GFADRO CC[NH+](CC)[C@H](CNC(=O)Cc1c(Br)cnn1C)c1ccsc1 ZINC000878221316 662891891 /nfs/dbraw/zinc/89/18/91/662891891.db2.gz KNTQJUQKRNYTCC-OAHLLOKOSA-N 1 0 399.358 2.986 20 0 GFADRO O[C@H](C[NH2+]C1(c2ccc(F)cc2)CCOCC1)c1cc(Br)no1 ZINC000878239356 662892239 /nfs/dbraw/zinc/89/22/39/662892239.db2.gz GZGFVAHCILLZJL-CYBMUJFWSA-N 1 0 385.233 2.905 20 0 GFADRO C[NH+](C)CCOc1cccc(NC(=O)NCc2cc(Br)no2)c1 ZINC000878282781 662893172 /nfs/dbraw/zinc/89/31/72/662893172.db2.gz WCIDOWQLYYKIIP-UHFFFAOYSA-N 1 0 383.246 2.699 20 0 GFADRO C[C@H]([NH2+]C[C@@H](O)c1cc(Br)no1)c1cccc(N2CCOC2=O)c1 ZINC000878358833 662894441 /nfs/dbraw/zinc/89/44/41/662894441.db2.gz WLDASDAXADDNFC-GXFFZTMASA-N 1 0 396.241 2.778 20 0 GFADRO C[C@@H]([NH2+]C[C@H](O)c1cc(Br)no1)c1ccc(N2CCCC2=O)cc1 ZINC000878358879 662894466 /nfs/dbraw/zinc/89/44/66/662894466.db2.gz XDKAYVRHRUFIDD-RISCZKNCSA-N 1 0 394.269 2.948 20 0 GFADRO CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]C[C@H](O)c3ccc(Br)cc3)[C@@H]2C1 ZINC000878623744 662900576 /nfs/dbraw/zinc/90/05/76/662900576.db2.gz WDBDMLISFFBRJR-HPBDAGMYSA-N 1 0 381.314 2.719 20 0 GFADRO OC[C@H]([NH2+]C[C@H](O)CC1(CO)CCCC1)c1ccc(Br)c(F)c1 ZINC000878644846 662901540 /nfs/dbraw/zinc/90/15/40/662901540.db2.gz CWSXFUYCFGDDJP-CJNGLKHVSA-N 1 0 390.293 2.515 20 0 GFADRO O[C@@H](C[NH2+]C1(Cc2ccc(F)cc2)CCOCC1)c1cc(Br)no1 ZINC000878649428 662901620 /nfs/dbraw/zinc/90/16/20/662901620.db2.gz BPJNFVZLCUDMAL-AWEZNQCLSA-N 1 0 399.260 2.991 20 0 GFADRO OC[C@@H]([NH2+]C[C@H]1CCC2(CCOCC2)O1)c1ccc(Br)c(F)c1 ZINC000878645434 662901693 /nfs/dbraw/zinc/90/16/93/662901693.db2.gz LETMXMAJOCNBSL-CZUORRHYSA-N 1 0 388.277 2.939 20 0 GFADRO C[N@H+](C[C@H](O)CC1(CO)CCCC1)C[C@@H](O)c1ccccc1Br ZINC000878692017 662902688 /nfs/dbraw/zinc/90/26/88/662902688.db2.gz UQWHGXXNYBATTR-RHSMWYFYSA-N 1 0 386.330 2.718 20 0 GFADRO Cn1nc(C(F)(F)F)c(C[NH2+][C@@H]([C@@H]2CCCO2)C2(CO)CCC2)c1Cl ZINC000878869750 662907724 /nfs/dbraw/zinc/90/77/24/662907724.db2.gz MTXOPVREROVSPO-AAEUAGOBSA-N 1 0 381.826 2.892 20 0 GFADRO O[C@H](C[N@@H+]1CC[C@@H](Oc2cncc(Br)c2)C1)c1ccc(F)cn1 ZINC000878876139 662908094 /nfs/dbraw/zinc/90/80/94/662908094.db2.gz SDSZNYRZZSXZJQ-CZUORRHYSA-N 1 0 382.233 2.565 20 0 GFADRO C[C@]12CC[N@H+](C[C@H]3CCc4ncnn43)C[C@H]1C2(Br)Br ZINC000878889084 662908517 /nfs/dbraw/zinc/90/85/17/662908517.db2.gz YFUAEHJHNJANPS-FOGDFJRCSA-N 1 0 390.123 2.593 20 0 GFADRO NC(=O)[C@H](F)C1CC[NH+](CCC(=O)Nc2c(Cl)cccc2Cl)CC1 ZINC000879044978 662914391 /nfs/dbraw/zinc/91/43/91/662914391.db2.gz RWSQRIOIODKBOG-CQSZACIVSA-N 1 0 376.259 2.857 20 0 GFADRO CN(C[C@@H](O)C[N@H+](C)Cc1cccc(Br)n1)C(=O)OC(C)(C)C ZINC000879081147 662915826 /nfs/dbraw/zinc/91/58/26/662915826.db2.gz UIXFMIVVXUYLAP-ZDUSSCGKSA-N 1 0 388.306 2.504 20 0 GFADRO O=C(NCCCC[N@H+]1CCC[C@@H]1CO)c1ccc(OC(F)F)c(Cl)c1 ZINC000879305752 662922854 /nfs/dbraw/zinc/92/28/54/662922854.db2.gz KBKLKZSZQJIPPZ-CYBMUJFWSA-N 1 0 376.831 2.908 20 0 GFADRO C[C@H]1CN(C(=O)Nc2cc(Br)ccn2)CCN1c1cc[nH+]cc1 ZINC000879377435 662924801 /nfs/dbraw/zinc/92/48/01/662924801.db2.gz QQYGOZXNJKYSHJ-LBPRGKRZSA-N 1 0 376.258 2.982 20 0 GFADRO COC(=O)C[C@@](C)([NH2+]CC(=O)Nc1ccc(Br)cc1F)C1CC1 ZINC000879440742 662926055 /nfs/dbraw/zinc/92/60/55/662926055.db2.gz HBPLKFXLNDCLLN-MRXNPFEDSA-N 1 0 387.249 2.848 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(CCS(=O)(=O)c3cc(Cl)ccc3Cl)CC[C@@H]21 ZINC000879568066 662929511 /nfs/dbraw/zinc/92/95/11/662929511.db2.gz XULHUXZFMGUYLU-DOMZBBRYSA-N 1 0 377.337 2.793 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN([C@@H]3CCN(c4cccc(Br)c4)C3=O)CC[C@@H]21 ZINC000879582170 662929988 /nfs/dbraw/zinc/92/99/88/662929988.db2.gz QPRMUTIWAHLROV-XOKHGSTOSA-N 1 0 378.314 2.580 20 0 GFADRO Cn1nc(Br)cc1NC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000879642326 662932265 /nfs/dbraw/zinc/93/22/65/662932265.db2.gz MWXOEOSFELYOEX-DGCLKSJQSA-N 1 0 382.306 2.663 20 0 GFADRO C[C@H](NC(=O)Nc1cc(Br)nn1C)[C@@H](c1ccccc1)[NH+](C)C ZINC000879644157 662933002 /nfs/dbraw/zinc/93/30/02/662933002.db2.gz RVRXBSQNJSHYDP-NHYWBVRUSA-N 1 0 380.290 2.996 20 0 GFADRO Cc1cc(Br)nc(NC(=O)N(C)CC[NH+]2CC3(C2)CCOCC3)c1 ZINC000879846361 662940611 /nfs/dbraw/zinc/94/06/11/662940611.db2.gz YUHCJUMLRMRFLK-UHFFFAOYSA-N 1 0 397.317 2.729 20 0 GFADRO CC[C@@H](C)[NH2+][C@@H](CNC(=O)Cc1c(Br)cnn1C)c1ccco1 ZINC000879927072 662942556 /nfs/dbraw/zinc/94/25/56/662942556.db2.gz LPQDHFNWBJEJCV-YPMHNXCESA-N 1 0 383.290 2.564 20 0 GFADRO Cn1cc(NC(=O)NCC[N@H+](C)Cc2ccc(F)cc2)c(Br)n1 ZINC000880049287 662947334 /nfs/dbraw/zinc/94/73/34/662947334.db2.gz MQJLEFPBPLVHIC-UHFFFAOYSA-N 1 0 384.253 2.575 20 0 GFADRO Cn1cc(NC(=O)N[C@@H](C[NH+](C)C)c2ccc(F)cc2)c(Br)n1 ZINC000880060711 662949072 /nfs/dbraw/zinc/94/90/72/662949072.db2.gz SRDIJEZVSYPOQI-LBPRGKRZSA-N 1 0 384.253 2.746 20 0 GFADRO Cn1cc(NC(=O)N[C@H](C[NH+](C)C)c2ccc(F)cc2)c(Br)n1 ZINC000880060709 662949154 /nfs/dbraw/zinc/94/91/54/662949154.db2.gz SRDIJEZVSYPOQI-GFCCVEGCSA-N 1 0 384.253 2.746 20 0 GFADRO Cc1nc2sccn2c(=O)c1CC[N@@H+]1CC[C@@H](C(F)(F)F)O[C@H](C)C1 ZINC000880067620 662950127 /nfs/dbraw/zinc/95/01/27/662950127.db2.gz VMNDIPFVQAVZRG-MFKMUULPSA-N 1 0 375.416 2.649 20 0 GFADRO Cc1nc2sccn2c(=O)c1CC[N@@H+]1CC[C@@H](C(F)(F)F)O[C@@H](C)C1 ZINC000880067618 662950133 /nfs/dbraw/zinc/95/01/33/662950133.db2.gz VMNDIPFVQAVZRG-GWCFXTLKSA-N 1 0 375.416 2.649 20 0 GFADRO Cn1ncc(Br)c1CC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000880218432 662954964 /nfs/dbraw/zinc/95/49/64/662954964.db2.gz IEFHZIRDGLZRLA-OAHLLOKOSA-N 1 0 377.286 2.913 20 0 GFADRO O=C1O[C@H](C[NH2+][C@@]2(c3ccc(Br)cc3)C[C@@H](O)C2)CC12CCC2 ZINC000880218498 662955048 /nfs/dbraw/zinc/95/50/48/662955048.db2.gz OAJCODINZOEGJF-RLFYNMQTSA-N 1 0 380.282 2.875 20 0 GFADRO O=C1CNC(=O)N1CCC[NH2+]C1(c2cc(Cl)cc(Br)c2)CC1 ZINC000880350546 662958404 /nfs/dbraw/zinc/95/84/04/662958404.db2.gz AMXYXCFNFPORMJ-UHFFFAOYSA-N 1 0 386.677 2.623 20 0 GFADRO COC(=O)C(C)(C)C[N@H+](CC(C)C)C[C@H](O)c1cc(Br)no1 ZINC000880383872 662958891 /nfs/dbraw/zinc/95/88/91/662958891.db2.gz MNPVMFFTYXDAJJ-NSHDSACASA-N 1 0 377.279 2.628 20 0 GFADRO OC[C@@H]1C=CCN1Cc1coc(-c2ccc(I)cc2)n1 ZINC000880489126 662960753 /nfs/dbraw/zinc/96/07/53/662960753.db2.gz QQDGFTKWPYXNNX-AWEZNQCLSA-N 1 0 382.201 2.679 20 0 GFADRO C[C@@H](NC(=O)C[NH+]1CCC2(CC1)COCCO2)c1ccc(Br)cc1 ZINC000880540583 662961817 /nfs/dbraw/zinc/96/18/17/662961817.db2.gz JIQICSGXRYZRLU-CQSZACIVSA-N 1 0 397.313 2.508 20 0 GFADRO C[C@H](C(=O)Nc1ccc(Br)cc1)[N@@H+]1C[C@H](O)CC2(CCOCC2)C1 ZINC000880584133 662963171 /nfs/dbraw/zinc/96/31/71/662963171.db2.gz NBMYLXRKOMRCNK-CZUORRHYSA-N 1 0 397.313 2.640 20 0 GFADRO C[C@@H](C(=O)Nc1cccc(Br)c1)[N@@H+]1C[C@H](O)CC2(CCOCC2)C1 ZINC000880590002 662963620 /nfs/dbraw/zinc/96/36/20/662963620.db2.gz XDUYGCONTAGXKP-XJKSGUPXSA-N 1 0 397.313 2.640 20 0 GFADRO C[NH+](C)Cc1ccnc(NC(=O)NC[C@H](O)c2cccc(Br)c2)c1 ZINC000880600816 662963858 /nfs/dbraw/zinc/96/38/58/662963858.db2.gz FWFZNTXFYFNPCQ-HNNXBMFYSA-N 1 0 393.285 2.761 20 0 GFADRO CC(C)(C)S(=O)(=O)CCC[NH2+][C@H](Cc1ccccc1)[C@@H](O)C(F)(F)F ZINC000880599948 662963898 /nfs/dbraw/zinc/96/38/98/662963898.db2.gz DNAAXMILWOXSJS-HUUCEWRRSA-N 1 0 381.460 2.714 20 0 GFADRO CC(=O)c1ccc(Br)c(NC(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c1 ZINC000880805048 662972738 /nfs/dbraw/zinc/97/27/38/662972738.db2.gz BCHDKNOCNAFWOL-ZIAGYGMSSA-N 1 0 396.285 2.636 20 0 GFADRO O=C(c1cc(Br)ccc1F)N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000881470134 662995209 /nfs/dbraw/zinc/99/52/09/662995209.db2.gz QGVDJMFRAUIHOS-AWEZNQCLSA-N 1 0 385.277 2.961 20 0 GFADRO O=C(C(=O)N1CCC[C@H]([NH2+]C2CCOCC2)C1)c1cc(Cl)cc(Cl)c1 ZINC000881477838 662995480 /nfs/dbraw/zinc/99/54/80/662995480.db2.gz JQFVGQSFBKJVEB-INIZCTEOSA-N 1 0 385.291 2.936 20 0 GFADRO O=C(c1cc(O)cc(Br)c1)N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000881478851 662995558 /nfs/dbraw/zinc/99/55/58/662995558.db2.gz NMFDFYFITKSJOP-HNNXBMFYSA-N 1 0 383.286 2.528 20 0 GFADRO CCC1([NH+]2CCCCC2)CCN(C(=O)Cn2cc(Br)cn2)CC1 ZINC000881624881 662998325 /nfs/dbraw/zinc/99/83/25/662998325.db2.gz BLYWNYIULGXYGN-UHFFFAOYSA-N 1 0 383.334 2.903 20 0 GFADRO CC1CC[NH+](CCCCNS(=O)(=O)N=[S@](C)(=O)C2CCCCC2)CC1 ZINC000881790609 663003364 /nfs/dbraw/zinc/00/33/64/663003364.db2.gz TVNCVEJWXWQZLQ-XMMPIXPASA-N 1 0 393.619 2.763 20 0 GFADRO CCC[N@@H+]1CC[C@@H](CNc2cnn(CC(F)(F)F)c(=O)c2Br)C1 ZINC000881837103 663005372 /nfs/dbraw/zinc/00/53/72/663005372.db2.gz BGPUINBZBHJIMH-JTQLQIEISA-N 1 0 397.239 2.712 20 0 GFADRO CC[N@H+](CCNc1cnn(CC(F)(F)F)c(=O)c1Br)C(C)C ZINC000881904409 663009069 /nfs/dbraw/zinc/00/90/69/663009069.db2.gz GFDLBXJKNHSDKU-UHFFFAOYSA-N 1 0 385.228 2.710 20 0 GFADRO C[N@H+](CCCO)C1CCN(c2ccc([S@](=N)(=O)C(F)(F)F)cc2)CC1 ZINC000881984989 663012345 /nfs/dbraw/zinc/01/23/45/663012345.db2.gz GBWFERGYNAOVBN-VWLOTQADSA-N 1 0 379.448 2.895 20 0 GFADRO N=[S@](=O)(c1ccc(N2CC[NH+](C[C@@H]3CCOC3)CC2)cc1)C(F)(F)F ZINC000882060713 663015402 /nfs/dbraw/zinc/01/54/02/663015402.db2.gz SNDUEYWMSQOFHZ-CANCMXDXSA-N 1 0 377.432 2.771 20 0 GFADRO C[C@@H]1CN(S(=O)(=O)c2ccc(Cl)nc2Cl)CCN1c1cc[nH+]cc1 ZINC000882620899 663033592 /nfs/dbraw/zinc/03/35/92/663033592.db2.gz AWIURJWOCGPGEU-LLVKDONJSA-N 1 0 387.292 2.683 20 0 GFADRO COc1cnc(N2CCC(C)([NH+]3CCC3)CC2)c(I)c1 ZINC000882962240 663045514 /nfs/dbraw/zinc/04/55/14/663045514.db2.gz MBEFUPZKUNIRGQ-UHFFFAOYSA-N 1 0 387.265 2.759 20 0 GFADRO COC[C@H]([NH2+]C[C@@H](O)COc1cccc(Cl)c1Cl)[C@@H]1CCCOC1 ZINC000883176499 663050922 /nfs/dbraw/zinc/05/09/22/663050922.db2.gz DUHVRPVNDCJIIS-NFAWXSAZSA-N 1 0 378.296 2.764 20 0 GFADRO COC[C@H]([NH2+]C[C@@H](O)COc1cccc(Cl)c1Cl)[C@H]1CCCOC1 ZINC000883176497 663050963 /nfs/dbraw/zinc/05/09/63/663050963.db2.gz DUHVRPVNDCJIIS-GUTXKFCHSA-N 1 0 378.296 2.764 20 0 GFADRO CC(C)(C)OC(=O)NC(C)(C)CC[NH2+]C1CCC(CS(C)(=O)=O)CC1 ZINC000883278907 663052284 /nfs/dbraw/zinc/05/22/84/663052284.db2.gz AQJQPOWAIDMUIQ-UHFFFAOYSA-N 1 0 376.563 2.873 20 0 GFADRO CN(C1(C[NH3+])CCCCC1)S(=O)(=O)c1cc(Br)cnc1Cl ZINC000883476419 663055751 /nfs/dbraw/zinc/05/57/51/663055751.db2.gz HFRDRNQUJAATNA-UHFFFAOYSA-N 1 0 396.738 2.780 20 0 GFADRO C[NH2+]C[C@H]1CCCCN1C(=O)Nc1ccc2nccnc2c1Br ZINC000883564589 663057150 /nfs/dbraw/zinc/05/71/50/663057150.db2.gz XGXXTOPKMIKGNB-LLVKDONJSA-N 1 0 378.274 2.998 20 0 GFADRO COCC[C@H]([NH3+])C(=O)N1CCCC[C@@H]1C(=O)Nc1cc(Cl)ccc1Cl ZINC000884082787 663064661 /nfs/dbraw/zinc/06/46/61/663064661.db2.gz UVNYZXKWGJRGTE-DZGCQCFKSA-N 1 0 388.295 2.677 20 0 GFADRO COCC[C@@H]([NH3+])C(=O)N1CCCC[C@H]1C(=O)Nc1ccc(Cl)cc1Cl ZINC000884090573 663064847 /nfs/dbraw/zinc/06/48/47/663064847.db2.gz YORKVVLGHFVBPO-HIFRSBDPSA-N 1 0 388.295 2.677 20 0 GFADRO [NH3+][C@H](C(=O)NCCc1ccc2c(c1)CCO2)c1ccc(Br)cc1 ZINC000884136313 663065810 /nfs/dbraw/zinc/06/58/10/663065810.db2.gz JDJDMWIYWLVNRN-KRWDZBQOSA-N 1 0 375.266 2.743 20 0 GFADRO [NH3+][C@@H](C(=O)NCc1cnn(CC(F)(F)F)c1)c1ccc(Br)cc1 ZINC000884164838 663066196 /nfs/dbraw/zinc/06/61/96/663066196.db2.gz RSHHZBRXCZLLCB-GFCCVEGCSA-N 1 0 391.191 2.524 20 0 GFADRO [NH3+][C@H](CC1CC1)C(=O)N[C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000884230678 663067465 /nfs/dbraw/zinc/06/74/65/663067465.db2.gz XOOZYHCVOMRBEU-DGCLKSJQSA-N 1 0 376.810 2.576 20 0 GFADRO O=C(COCCc1ccc(Br)cc1)N1CCC2(CC[NH2+]C2)CC1 ZINC000884293635 663068367 /nfs/dbraw/zinc/06/83/67/663068367.db2.gz HKSBAAVGVZOVSE-UHFFFAOYSA-N 1 0 381.314 2.610 20 0 GFADRO Cc1nn(C)c(C)c1CCCNC(=O)[C@H]([NH3+])c1ccc(Br)cc1 ZINC000884314237 663068738 /nfs/dbraw/zinc/06/87/38/663068738.db2.gz CURGGWDKLPWNMT-MRXNPFEDSA-N 1 0 379.302 2.548 20 0 GFADRO COC(=O)C(C)(C)[C@H]1CCCN(C(=O)[C@H]([NH3+])c2ccc(Br)cc2)C1 ZINC000884379168 663069856 /nfs/dbraw/zinc/06/98/56/663069856.db2.gz PNVCAQYUDJTSJQ-DZGCQCFKSA-N 1 0 397.313 2.887 20 0 GFADRO COCC[NH2+]C1CCN(C(=O)CCCc2ccc(Br)cc2)CC1 ZINC000884381519 663069897 /nfs/dbraw/zinc/06/98/97/663069897.db2.gz IGYOXAXQQIYUNW-UHFFFAOYSA-N 1 0 383.330 2.999 20 0 GFADRO Cc1ccc(Br)c(CS(=O)(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000884960455 663079956 /nfs/dbraw/zinc/07/99/56/663079956.db2.gz VWGMAQXKIGNSRB-GJZGRUSLSA-N 1 0 387.343 2.804 20 0 GFADRO O=C([C@@H]1C[C@H]1c1c[nH]cn1)N1CCC[C@@](O)(c2ccc(Br)cc2)C1 ZINC000884969573 663081403 /nfs/dbraw/zinc/08/14/03/663081403.db2.gz JZWWTHDLBBGLKE-RKVPGOIHSA-N 1 0 390.281 2.786 20 0 GFADRO C[C@@H](Oc1ccccc1Br)C(=O)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000885868433 663099512 /nfs/dbraw/zinc/09/95/12/663099512.db2.gz HMXJXUBCJNCQSS-HIFRSBDPSA-N 1 0 397.313 2.586 20 0 GFADRO CC(C)n1cc(Br)cc1C(=O)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000885872437 663099713 /nfs/dbraw/zinc/09/97/13/663099713.db2.gz FYHRUUSFVMQMBI-HNNXBMFYSA-N 1 0 384.318 2.815 20 0 GFADRO CCc1ccc(Br)cc1C(=O)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000885895128 663100707 /nfs/dbraw/zinc/10/07/07/663100707.db2.gz AAWMQKATJQTKHB-MRXNPFEDSA-N 1 0 381.314 2.995 20 0 GFADRO OC[C@@H](C[NH2+][C@@H]1CCOC2(CCOCC2)C1)Cc1ccccc1Br ZINC000886092028 663103100 /nfs/dbraw/zinc/10/31/00/663103100.db2.gz MIKDCWAFRBVIGJ-NVXWUHKLSA-N 1 0 398.341 2.918 20 0 GFADRO COc1ncc(Br)cc1C[NH2+]C[C@@H]1CC[C@]2(CO[C@@H](C)[C@@H]2C)O1 ZINC000886336934 663108492 /nfs/dbraw/zinc/10/84/92/663108492.db2.gz YOOCORCRNCAZSA-WXRXAMBDSA-N 1 0 385.302 2.915 20 0 GFADRO COc1nsc(C[NH2+]C[C@@H]2CC[C@]3(CO[C@H](C)[C@@H]3C)O2)c1Br ZINC000886335988 663108523 /nfs/dbraw/zinc/10/85/23/663108523.db2.gz LAGDXJKVORHDPO-BQVMBELUSA-N 1 0 391.331 2.976 20 0 GFADRO COC[C@@H]([NH2+]Cc1ccccc1I)[C@@H]1CCCOC1 ZINC000886359573 663108946 /nfs/dbraw/zinc/10/89/46/663108946.db2.gz FRBVVKMHWIMUHN-UKRRQHHQSA-N 1 0 375.250 2.822 20 0 GFADRO COC(=O)c1cc2n(n1)CCC[C@@H]2[NH2+]CCNc1ncc(Cl)cc1Cl ZINC000886531993 663113271 /nfs/dbraw/zinc/11/32/71/663113271.db2.gz BCZOAWADSCTGMP-LBPRGKRZSA-N 1 0 384.267 2.908 20 0 GFADRO OCCOCC1(O)CC[NH+](CC/C=C/c2ccc(Br)cc2)CC1 ZINC000886741010 663116755 /nfs/dbraw/zinc/11/67/55/663116755.db2.gz RGBNYXIIDWEJFO-HNQUOIGGSA-N 1 0 384.314 2.688 20 0 GFADRO CC[C@@H]1CN(S(=O)(=O)Cc2ccc(Br)cc2C)CC[C@@H]1[NH3+] ZINC000886885483 663123473 /nfs/dbraw/zinc/12/34/73/663123473.db2.gz XCKMFAYBEXBVQT-DOMZBBRYSA-N 1 0 375.332 2.647 20 0 GFADRO Cc1cnc(Cl)c(S(=O)(=O)N2CC[C@H](c3ccc(F)cc3)[C@@H]([NH3+])C2)c1 ZINC000886888121 663123545 /nfs/dbraw/zinc/12/35/45/663123545.db2.gz SSNVBUYIWJZIBP-CABCVRRESA-N 1 0 383.876 2.688 20 0 GFADRO COC[C@@H]([NH2+]CCS(=O)(=O)c1cc(Cl)ccc1Cl)[C@H]1CCCOC1 ZINC000886903844 663124283 /nfs/dbraw/zinc/12/42/83/663124283.db2.gz JOFCBEKUHRJXOW-SWLSCSKDSA-N 1 0 396.336 2.798 20 0 GFADRO COC[C@@H]([NH2+]CC(=O)NCCc1cccc(Cl)c1Cl)[C@@H]1CCCOC1 ZINC000886910516 663124611 /nfs/dbraw/zinc/12/46/11/663124611.db2.gz RVIRZBXBLUCYDL-GDBMZVCRSA-N 1 0 389.323 2.683 20 0 GFADRO COCCOc1c(Cl)cccc1NC(=O)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000886932601 663125136 /nfs/dbraw/zinc/12/51/36/663125136.db2.gz HESQOAMNUVUZQZ-NSHDSACASA-N 1 0 377.819 2.732 20 0 GFADRO C[C@H]1C[C@H](NC(=O)C(=O)Nc2cc(Br)c3ccccc3c2)CC[NH2+]1 ZINC000886984140 663127343 /nfs/dbraw/zinc/12/73/43/663127343.db2.gz RPQOZUWIUWPPFW-WCQYABFASA-N 1 0 390.281 2.798 20 0 GFADRO CCN(C(=O)C(=O)Nc1c(C)cc(Br)cc1Cl)[C@@H]1CC[NH2+]C1 ZINC000886993348 663128095 /nfs/dbraw/zinc/12/80/95/663128095.db2.gz DJWKLHWPXKNULD-LLVKDONJSA-N 1 0 388.693 2.560 20 0 GFADRO CCN(C(=O)C(=O)Nc1cc(Cl)c(Br)cc1C)[C@@H]1CC[NH2+]C1 ZINC000887007242 663128478 /nfs/dbraw/zinc/12/84/78/663128478.db2.gz GWBYVQDWUNROCG-SNVBAGLBSA-N 1 0 388.693 2.560 20 0 GFADRO Cc1sc(-c2cncc(Br)c2)nc1-c1cn(CC2C[NH2+]C2)nn1 ZINC000887532735 663151229 /nfs/dbraw/zinc/15/12/29/663151229.db2.gz QRBXJOIKGMYPNH-UHFFFAOYSA-N 1 0 391.298 2.754 20 0 GFADRO CC[C@@H](C(=O)N1CCN(C)CC[N@H+](C)CC1)c1ccc(Br)cc1 ZINC000888979476 663227896 /nfs/dbraw/zinc/22/78/96/663227896.db2.gz UZSXKPDGRZIKRX-QGZVFWFLSA-N 1 0 382.346 2.649 20 0 GFADRO CCO[C@@H](CC[NH+](C)C)CNC(=O)Nc1c(Cl)n(C)nc1C(F)(F)F ZINC000889198614 663235514 /nfs/dbraw/zinc/23/55/14/663235514.db2.gz VHJCDYRHDSQIGT-VIFPVBQESA-N 1 0 385.818 2.571 20 0 GFADRO Cc1c(F)c(Br)ccc1C(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000889748742 663262721 /nfs/dbraw/zinc/26/27/21/663262721.db2.gz HIVXKJFLUOCHML-HUUCEWRRSA-N 1 0 385.277 2.568 20 0 GFADRO Cc1cc(C(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)c(C)cc1Br ZINC000889760349 663264229 /nfs/dbraw/zinc/26/42/29/663264229.db2.gz FDRHBDOJSIPOJA-IRXDYDNUSA-N 1 0 381.314 2.737 20 0 GFADRO O=C(CCc1ccc(Br)cc1F)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000889776361 663266018 /nfs/dbraw/zinc/26/60/18/663266018.db2.gz ZSCDKJNFFGRYSU-SJORKVTESA-N 1 0 399.304 2.578 20 0 GFADRO O=C(c1ccc(C2SCCS2)cc1)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000889778712 663266410 /nfs/dbraw/zinc/26/64/10/663266410.db2.gz BNHDWWOZPIVPLF-IAGOWNOFSA-N 1 0 378.563 2.836 20 0 GFADRO O=C(c1cc(Br)ccc1Cl)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000889780630 663266473 /nfs/dbraw/zinc/26/64/73/663266473.db2.gz KVGIGRRJOIWOCG-LSDHHAIUSA-N 1 0 387.705 2.774 20 0 GFADRO CC[NH+](CC)[C@H](CNC(=O)C(=O)Nc1cncc(Cl)c1)c1ccsc1 ZINC000889793257 663267501 /nfs/dbraw/zinc/26/75/01/663267501.db2.gz FPKJXESHQKCHBA-OAHLLOKOSA-N 1 0 380.901 2.934 20 0 GFADRO CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1cc(Br)cn(C2CC2)c1=O ZINC000890897753 663316611 /nfs/dbraw/zinc/31/66/11/663316611.db2.gz HDAKXYNPDZYNNS-ZDUSSCGKSA-N 1 0 384.318 2.652 20 0 GFADRO C[C@@H](NC(=O)NC[C@]1(O)CC[N@H+](C)C1)c1cccc(SC(F)(F)F)c1 ZINC000891218252 663330272 /nfs/dbraw/zinc/33/02/72/663330272.db2.gz YYDTYMGTIRSEQS-IAQYHMDHSA-N 1 0 377.432 2.725 20 0 GFADRO O=C(NCc1cc(F)ccc1Br)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000891395135 663338248 /nfs/dbraw/zinc/33/82/48/663338248.db2.gz PZLAPQAQARVXEX-JTQLQIEISA-N 1 0 380.208 2.632 20 0 GFADRO COCCC1(NC(=O)NCc2cc(F)ccc2Br)CC[NH2+]CC1 ZINC000891394372 663338309 /nfs/dbraw/zinc/33/83/09/663338309.db2.gz HPFQVPCIWUXGBS-UHFFFAOYSA-N 1 0 388.281 2.546 20 0 GFADRO O=C(NCCc1cc(Br)ccc1F)NC[C@H]1C[NH2+]CCC1(F)F ZINC000891442421 663339835 /nfs/dbraw/zinc/33/98/35/663339835.db2.gz TWRPJVBCYKGOFA-LLVKDONJSA-N 1 0 394.235 2.675 20 0 GFADRO C[C@H](NC(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO)c1ccc(Br)cc1 ZINC000891528501 663342303 /nfs/dbraw/zinc/34/23/03/663342303.db2.gz MKIBWPBKROPDHD-XKQJLSEDSA-N 1 0 396.329 2.751 20 0 GFADRO C[C@@]1(Br)C[C@@H]1C[NH+]1CCN(Cc2nc3ccccc3c(=O)[nH]2)CC1 ZINC000891543448 663343466 /nfs/dbraw/zinc/34/34/66/663343466.db2.gz QYFFHQZQWVHVOB-FZKQIMNGSA-N 1 0 391.313 2.627 20 0 GFADRO C[NH+](C)CCOc1cccc(NC(=O)C(=O)NCc2cscc2Cl)c1 ZINC000891547117 663343527 /nfs/dbraw/zinc/34/35/27/663343527.db2.gz SOBAMVCHIWRWQM-UHFFFAOYSA-N 1 0 381.885 2.597 20 0 GFADRO CC(=O)Nc1cc(Br)ccc1CN1CCC[C@@H]1CN1CCOCC1 ZINC000891747870 663349181 /nfs/dbraw/zinc/34/91/81/663349181.db2.gz MMXKAZISFVLZIB-QGZVFWFLSA-N 1 0 396.329 2.704 20 0 GFADRO COCCC1(NC(=O)N[C@@H]2C[C@H]2c2ccc(Br)cc2)CC[NH2+]CC1 ZINC000891872985 663353562 /nfs/dbraw/zinc/35/35/62/663353562.db2.gz LVIXCZXCCAHXBC-JKSUJKDBSA-N 1 0 396.329 2.763 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)NCc1ncc(Br)cn1)C1CCCCC1 ZINC000891889809 663354447 /nfs/dbraw/zinc/35/44/47/663354447.db2.gz PBHRARKUUQERRD-AWEZNQCLSA-N 1 0 384.322 2.549 20 0 GFADRO C[C@H](NC(=O)N[C@@H]1[C@@H]2Cc3ccc(Br)cc3[C@@H]21)[C@@H]1CCC[NH2+]C1 ZINC000891981131 663357339 /nfs/dbraw/zinc/35/73/39/663357339.db2.gz INMKDUPNZLHMKE-PBXXMHPPSA-N 1 0 378.314 2.775 20 0 GFADRO CC[NH2+]CCNC(=O)N1CC2(CCOCC2)c2ccc(Br)cc21 ZINC000891994257 663358077 /nfs/dbraw/zinc/35/80/77/663358077.db2.gz QGTKENDCZTWDQC-UHFFFAOYSA-N 1 0 382.302 2.636 20 0 GFADRO Cc1c(Br)cccc1CNC(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000892233135 663366445 /nfs/dbraw/zinc/36/64/45/663366445.db2.gz SRUUTRYJTKOAMU-HNNXBMFYSA-N 1 0 396.329 2.715 20 0 GFADRO O=C(N[C@H]1CC12CC[NH2+]CC2)N[C@H]1[C@@H]2Cc3cc(Br)ccc3[C@@H]21 ZINC000892266653 663367710 /nfs/dbraw/zinc/36/77/10/663367710.db2.gz FFWUGBBZOOMSNK-UGUYLWEFSA-N 1 0 376.298 2.529 20 0 GFADRO O=C(N[C@@H]1[C@@H]2Cc3ccc(Br)cc3[C@@H]21)N[C@H]1CC12CC[NH2+]CC2 ZINC000892266289 663367712 /nfs/dbraw/zinc/36/77/12/663367712.db2.gz AEXVGFDTGWCABX-FXUDXRNXSA-N 1 0 376.298 2.529 20 0 GFADRO CN(C(=O)N[C@@H]1[C@H]2Cc3cc(Br)ccc3[C@@H]12)C1CCC([NH3+])CC1 ZINC000892426020 663373337 /nfs/dbraw/zinc/37/33/37/663373337.db2.gz DOKFUIDNJOGYDX-QDYZITAZSA-N 1 0 378.314 2.999 20 0 GFADRO CC[C@H]1CN(C(=O)N[C@@H]2[C@H]3Cc4cc(Br)ccc4[C@@H]23)CC[C@H]1[NH3+] ZINC000892426878 663373349 /nfs/dbraw/zinc/37/33/49/663373349.db2.gz KJHCTNWWJFNNPW-MJQUHVBXSA-N 1 0 378.314 2.856 20 0 GFADRO C[NH+]1CCC2(CCN2C(=O)NCCOc2ccc(Br)cc2)CC1 ZINC000892431204 663373590 /nfs/dbraw/zinc/37/35/90/663373590.db2.gz BGWABEOHGDSGEQ-UHFFFAOYSA-N 1 0 382.302 2.708 20 0 GFADRO O=S1(=O)CC[C@@H](C[NH2+]Cc2cc(Br)ccc2Br)C1 ZINC000892506109 663376068 /nfs/dbraw/zinc/37/60/68/663376068.db2.gz UMXABRVRTMFWKV-VIFPVBQESA-N 1 0 397.132 2.736 20 0 GFADRO CC1(C)C[NH2+]CC[C@H](NC(=O)NC[C@@H](O)c2cccc(Br)c2)C1 ZINC000892493464 663375379 /nfs/dbraw/zinc/37/53/79/663375379.db2.gz KDFQRDPMANGAIA-LSDHHAIUSA-N 1 0 384.318 2.560 20 0 GFADRO COc1ccc(Br)cc1CNC(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2C ZINC000892505914 663376095 /nfs/dbraw/zinc/37/60/95/663376095.db2.gz NYCHNUUTNUGACY-HUUCEWRRSA-N 1 0 382.302 2.836 20 0 GFADRO O[C@H](C[NH2+][C@@H]1CCC2(C[C@@H]1F)OCCO2)COc1cccc(Cl)c1Cl ZINC000892680406 663380881 /nfs/dbraw/zinc/38/08/81/663380881.db2.gz YKFUZKJNJGSGKU-KWCYVHTRSA-N 1 0 394.270 2.956 20 0 GFADRO CCOC(=O)c1ncc(Br)c(N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)n1 ZINC000892756496 663383726 /nfs/dbraw/zinc/38/37/26/663383726.db2.gz AEDVOLMGVLFWPY-OLZOCXBDSA-N 1 0 397.317 2.867 20 0 GFADRO C[C@]1(NC(=O)Cc2noc3ccc(Br)cc32)C[NH+]2CCC1CC2 ZINC000892766374 663384166 /nfs/dbraw/zinc/38/41/66/663384166.db2.gz KJEPPUSFWHWKGD-KRWDZBQOSA-N 1 0 378.270 2.733 20 0 GFADRO COCCN1CCC[C@H]1C[NH2+]Cc1ccc(Br)cc1NC(C)=O ZINC000892864883 663387240 /nfs/dbraw/zinc/38/72/40/663387240.db2.gz BBUJOCOGTRISCS-INIZCTEOSA-N 1 0 384.318 2.608 20 0 GFADRO CC(=O)Nc1cc(Br)ccc1C[NH2+]CC(=O)NC1CCCCC1 ZINC000892883866 663388195 /nfs/dbraw/zinc/38/81/95/663388195.db2.gz QMPFWJLDPQAIHF-UHFFFAOYSA-N 1 0 382.302 2.946 20 0 GFADRO CC(=O)OC[C@H](C)[NH2+]CC(C)(C)S(=O)(=O)c1ccc(Br)cc1 ZINC000892950007 663390627 /nfs/dbraw/zinc/39/06/27/663390627.db2.gz KCAKSFYZMNGVBP-NSHDSACASA-N 1 0 392.315 2.543 20 0 GFADRO C[C@H]1CCC[C@H](CC[NH+](C)C)N1C(=O)c1cnn2cc(Br)cnc12 ZINC000893013477 663393048 /nfs/dbraw/zinc/39/30/48/663393048.db2.gz LBQZNKXVFPYCKT-GXTWGEPZSA-N 1 0 394.317 2.827 20 0 GFADRO CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@]2(N(C)C)CCSC2)C[C@H]1C(F)(F)F ZINC000893099461 663396641 /nfs/dbraw/zinc/39/66/41/663396641.db2.gz YZURSBSMDJDREJ-NHIYQJMISA-N 1 0 382.492 2.924 20 0 GFADRO Cc1nc(CC(F)(F)F)sc1CC(=O)OCCC[N@@H+]1CCO[C@H](C)C1 ZINC000893385527 663409289 /nfs/dbraw/zinc/40/92/89/663409289.db2.gz FIHPHOMTFYYKPP-LLVKDONJSA-N 1 0 380.432 2.753 20 0 GFADRO CCOC(=O)c1ncc(Br)c(N2CCCC3(CC[NH+](C)CC3)C2)n1 ZINC000893669394 663419585 /nfs/dbraw/zinc/41/95/85/663419585.db2.gz XIQQCAQLSNNIOY-UHFFFAOYSA-N 1 0 397.317 2.728 20 0 GFADRO Cc1cc(Br)cc(NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)n1 ZINC000893837276 663427607 /nfs/dbraw/zinc/42/76/07/663427607.db2.gz LDOIMXBNYMDTEJ-GOOCMWNKSA-N 1 0 381.318 2.648 20 0 GFADRO CCOC(=O)c1csc(CC[NH2+]Cc2ncc(Br)cc2O)n1 ZINC000893941690 663432773 /nfs/dbraw/zinc/43/27/73/663432773.db2.gz VGGIPODHDCZIEH-UHFFFAOYSA-N 1 0 386.271 2.515 20 0 GFADRO CO[C@@H](c1ccc(Br)cc1)[C@H](C)NC(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000893996747 663435895 /nfs/dbraw/zinc/43/58/95/663435895.db2.gz AMCWXKQCKAQPAT-MKVSYHDVSA-N 1 0 396.329 2.728 20 0 GFADRO Cn1nc(Br)nc1CNc1ccccc1C[NH+]1CCSCC1 ZINC000894122235 663443950 /nfs/dbraw/zinc/44/39/50/663443950.db2.gz MOYSTJIPEDDYRK-UHFFFAOYSA-N 1 0 382.331 2.739 20 0 GFADRO CC(=O)Nc1cccc([C@@H](C)NCc2cn(C)nc2I)c1 ZINC000894166363 663446362 /nfs/dbraw/zinc/44/63/62/663446362.db2.gz XPXPCDBZOGFSGO-SNVBAGLBSA-N 1 0 398.248 2.834 20 0 GFADRO Cn1ncc(I)c1C[NH2+]CCCOCCc1ccccc1 ZINC000894195880 663447909 /nfs/dbraw/zinc/44/79/09/663447909.db2.gz NZYSKHBNPRGAJV-UHFFFAOYSA-N 1 0 399.276 2.764 20 0 GFADRO COC(=O)[C@@H]1[C@H](C[NH2+]Cc2cc(Br)c(OC)c(OC)c2)C1(F)F ZINC000894244257 663450635 /nfs/dbraw/zinc/45/06/35/663450635.db2.gz WJLIRNRJKOSKJN-CABZTGNLSA-N 1 0 394.212 2.610 20 0 GFADRO Cn1cc(C[NH2+]CC(C)(C)[C@@H]2CCCCO2)c(I)n1 ZINC000894331084 663454948 /nfs/dbraw/zinc/45/49/48/663454948.db2.gz AMDVORGLQNFFKP-LBPRGKRZSA-N 1 0 377.270 2.710 20 0 GFADRO CC(C)[NH+](CCCNCc1cn(C)nc1I)C(C)C ZINC000894327787 663455105 /nfs/dbraw/zinc/45/51/05/663455105.db2.gz XEUWHEUBEPJEKC-UHFFFAOYSA-N 1 0 378.302 2.623 20 0 GFADRO C[C@H](C[C@@H](O)c1cccs1)[NH2+]Cc1cn(C)nc1I ZINC000894369528 663458473 /nfs/dbraw/zinc/45/84/73/663458473.db2.gz AAYBACJBOCYZPZ-MWLCHTKSSA-N 1 0 391.278 2.688 20 0 GFADRO C[C@]1(Br)C[C@H]1C[N@H+](CCCN1CCOCC1)Cc1ccncc1 ZINC000894448799 663462146 /nfs/dbraw/zinc/46/21/46/663462146.db2.gz PSSYIDYAJLQBKJ-ROUUACIJSA-N 1 0 382.346 2.779 20 0 GFADRO O=S(=O)(c1ccccc1)C1CC([NH2+]CCCn2cc(Br)cn2)C1 ZINC000894518916 663466691 /nfs/dbraw/zinc/46/66/91/663466691.db2.gz SZXAPCNRHLDIKR-UHFFFAOYSA-N 1 0 398.326 2.630 20 0 GFADRO COc1ccc(Br)cc1C[C@@H](CO)C[NH2+]Cc1nccn1C1CC1 ZINC000894766680 663480424 /nfs/dbraw/zinc/48/04/24/663480424.db2.gz VQIPNHRFQFGXBL-CYBMUJFWSA-N 1 0 394.313 2.930 20 0 GFADRO CCn1cc(C[NH2+]C[C@H](CO)Cc2cc(Br)ccc2OC)c(C)n1 ZINC000894764557 663480473 /nfs/dbraw/zinc/48/04/73/663480473.db2.gz FDPMIPULIVNVRK-CQSZACIVSA-N 1 0 396.329 2.923 20 0 GFADRO COCO[C@H](C)c1cc(F)c(C[NH2+]C[C@@H]2COCO2)cc1Br ZINC000894886076 663486572 /nfs/dbraw/zinc/48/65/72/663486572.db2.gz BVJJURRRNASPST-ZYHUDNBSSA-N 1 0 378.238 2.732 20 0 GFADRO Cn1nc(Br)nc1CNCC1([N@H+](C)Cc2ccccc2)CCC1 ZINC000894896869 663487293 /nfs/dbraw/zinc/48/72/93/663487293.db2.gz ZQHKSBRQMDLMNH-UHFFFAOYSA-N 1 0 378.318 2.722 20 0 GFADRO C[C@@H]1CN(Cc2nc(Br)nn2C)CC[N@H+](Cc2ccccc2)C1 ZINC000894910789 663488028 /nfs/dbraw/zinc/48/80/28/663488028.db2.gz ZUZUVSHNYFSHAV-AWEZNQCLSA-N 1 0 378.318 2.532 20 0 GFADRO Cc1ccc(C(=O)N2CCN(c3cc[nH+]cc3)C[C@H]2C)c(Br)n1 ZINC000895267927 663506258 /nfs/dbraw/zinc/50/62/58/663506258.db2.gz JGAHGIYYPRAEIA-CYBMUJFWSA-N 1 0 375.270 2.898 20 0 GFADRO CCOC(=O)[C@@H]1CC[C@H]([NH2+]CC[S@@](=O)CC(F)(F)F)C[C@@H]1C(F)(F)F ZINC000895312967 663507668 /nfs/dbraw/zinc/50/76/68/663507668.db2.gz AVEDRMPMQBWMLC-JQAIJDEDSA-N 1 0 397.381 2.797 20 0 GFADRO CC(C)(C)OC(=O)N1CCC[C@](C)(C[NH2+]CC[S@](=O)CC(F)(F)F)C1 ZINC000895314142 663507707 /nfs/dbraw/zinc/50/77/07/663507707.db2.gz QWACEYVLYKSYGI-BZQUYTCOSA-N 1 0 386.480 2.924 20 0 GFADRO C[C@@H]1C[C@H]([NH2+]Cc2cnc(Br)cn2)CN(C(=O)OC(C)(C)C)C1 ZINC000895407832 663512208 /nfs/dbraw/zinc/51/22/08/663512208.db2.gz YILDZDVKVKKODJ-NEPJUHHUSA-N 1 0 385.306 2.974 20 0 GFADRO C[C@@H]1C[C@@H]([NH2+]Cc2cnc(Br)cn2)CN(C(=O)OC(C)(C)C)C1 ZINC000895407835 663512461 /nfs/dbraw/zinc/51/24/61/663512461.db2.gz YILDZDVKVKKODJ-VXGBXAGGSA-N 1 0 385.306 2.974 20 0 GFADRO C[C@H]1C[C@H]([NH2+]Cc2cnc(Br)cn2)CN(C(=O)OC(C)(C)C)C1 ZINC000895407834 663512557 /nfs/dbraw/zinc/51/25/57/663512557.db2.gz YILDZDVKVKKODJ-RYUDHWBXSA-N 1 0 385.306 2.974 20 0 GFADRO Cn1cc(C[NH2+]CCSCCC(F)(F)F)c(I)n1 ZINC000895457294 663515254 /nfs/dbraw/zinc/51/52/54/663515254.db2.gz DZLBKTNECNOYMM-UHFFFAOYSA-N 1 0 393.216 2.800 20 0 GFADRO CC[C@@H](Cc1ccc(Br)cc1)[NH2+][C@H]1C(=O)NCC12CCOCC2 ZINC000895765997 663526654 /nfs/dbraw/zinc/52/66/54/663526654.db2.gz QPGGLQVDRCDXRD-HOTGVXAUSA-N 1 0 381.314 2.655 20 0 GFADRO COc1cc2c(cc1O)CCN(Cc1cnn3cc(Br)cnc13)C2 ZINC000895887315 663532031 /nfs/dbraw/zinc/53/20/31/663532031.db2.gz LFIQVANSROTVFN-UHFFFAOYSA-N 1 0 389.253 2.764 20 0 GFADRO O=C(CCCc1ccc(Br)cc1)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000895989850 663536229 /nfs/dbraw/zinc/53/62/29/663536229.db2.gz DSUUQHLAXCVXGA-IRXDYDNUSA-N 1 0 381.314 2.751 20 0 GFADRO O=C(Nc1ccc(Sc2nncs2)cc1)C1C[NH+](C2CCOCC2)C1 ZINC000896166829 663543289 /nfs/dbraw/zinc/54/32/89/663543289.db2.gz YWPNKLIVRRWMFS-UHFFFAOYSA-N 1 0 376.507 2.739 20 0 GFADRO O=C(Nc1nc(Sc2ccccc2)ns1)C1C[NH+](C2CCOCC2)C1 ZINC000896252622 663546999 /nfs/dbraw/zinc/54/69/99/663546999.db2.gz SPJYDPGKBPCEQW-UHFFFAOYSA-N 1 0 376.507 2.739 20 0 GFADRO C[C@H](NC(=O)c1oc2ccccc2c1Br)[C@H]1C[N@H+](C)CCN1C ZINC000896528815 663560807 /nfs/dbraw/zinc/56/08/07/663560807.db2.gz VPAYEDWTCDJBLQ-WCQYABFASA-N 1 0 380.286 2.559 20 0 GFADRO C[C@H](NC(=O)CCCc1ccc(Br)cc1)[C@H]1C[N@H+](C)CCN1C ZINC000896530584 663561007 /nfs/dbraw/zinc/56/10/07/663561007.db2.gz UOGBSRSGOFLKOL-WMLDXEAASA-N 1 0 382.346 2.522 20 0 GFADRO C[C@H](NC(=O)c1cc(Cl)c(Br)cc1F)[C@H]1C[N@H+](C)CCN1C ZINC000896539341 663562157 /nfs/dbraw/zinc/56/21/57/663562157.db2.gz MXKHQQJNHIIXIS-LKFCYVNXSA-N 1 0 392.700 2.606 20 0 GFADRO C[C@@H](NC(=O)c1cc(F)c(Br)cc1Cl)[C@H]1C[N@H+](C)CCN1C ZINC000896541879 663562656 /nfs/dbraw/zinc/56/26/56/663562656.db2.gz JBLREPYFBAHHAH-YMTOWFKASA-N 1 0 392.700 2.606 20 0 GFADRO C[C@H](NC(=O)c1ccc(Br)c(Cl)c1F)[C@@H]1C[N@H+](C)CCN1C ZINC000896545556 663563062 /nfs/dbraw/zinc/56/30/62/663563062.db2.gz QWESDJJJQYMAJA-CABZTGNLSA-N 1 0 392.700 2.606 20 0 GFADRO CC[C@H](CN1CCOCC1)[NH2+]Cc1ccc(Br)cc1NC(C)=O ZINC000896619386 663568420 /nfs/dbraw/zinc/56/84/20/663568420.db2.gz USWOMIFDHAXIGZ-MRXNPFEDSA-N 1 0 384.318 2.608 20 0 GFADRO C[NH+](C)C1CCN(CCNC(=O)CCCc2ccc(Br)cc2)CC1 ZINC000896841791 663579174 /nfs/dbraw/zinc/57/91/74/663579174.db2.gz WNJVEGIONWNOKP-UHFFFAOYSA-N 1 0 396.373 2.914 20 0 GFADRO C[C@H]1C[C@H](C[NH2+]CC(C)(C)CS(C)(=O)=O)CCN1C(=O)OC(C)(C)C ZINC000896870857 663580181 /nfs/dbraw/zinc/58/01/81/663580181.db2.gz SJOWQWFVHKSJEE-LSDHHAIUSA-N 1 0 376.563 2.682 20 0 GFADRO Cc1c(Br)cc(-c2noc(C3CC[NH+](C4CC4)CC3)n2)c(=O)n1C ZINC000896995532 663584583 /nfs/dbraw/zinc/58/45/83/663584583.db2.gz HLUAYANBZUZXHW-UHFFFAOYSA-N 1 0 393.285 2.848 20 0 GFADRO CCc1noc([C@H]2CC[C@H]([NH2+]Cc3cnn4cc(Br)cnc34)C2)n1 ZINC000897046457 663588260 /nfs/dbraw/zinc/58/82/60/663588260.db2.gz ZLPXENWZYWNTKU-GWCFXTLKSA-N 1 0 391.273 2.863 20 0 GFADRO Cc1ccc(C[NH+]2CCC3(CC2)C[C@H](O)CNC3=O)c(C)c1Br ZINC000897047026 663588266 /nfs/dbraw/zinc/58/82/66/663588266.db2.gz RILPUXBMKWTWDU-HNNXBMFYSA-N 1 0 381.314 2.529 20 0 GFADRO C[C@@H](NC(=O)C1C[NH+](C2CCOCC2)C1)[C@H](O)c1c(Cl)cccc1Cl ZINC000897313255 663600211 /nfs/dbraw/zinc/60/02/11/663600211.db2.gz YJHFFJCXFRTENF-DIFFPNOSSA-N 1 0 387.307 2.642 20 0 GFADRO O=C(C1C[NH+]([C@H]2CCOC2)C1)N1CCC[C@H]1c1ccc(Br)s1 ZINC000897373107 663603196 /nfs/dbraw/zinc/60/31/96/663603196.db2.gz KUPCZXMXJQZBIA-STQMWFEESA-N 1 0 385.327 2.895 20 0 GFADRO CC(C)(C)OC(=O)NC1(C[NH2+]Cc2cnn3cc(Br)cnc23)CC1 ZINC000897420564 663605006 /nfs/dbraw/zinc/60/50/06/663605006.db2.gz BSPQTWBZFNVPDN-UHFFFAOYSA-N 1 0 396.289 2.639 20 0 GFADRO C[N@@H+]1CCCC[C@@H](CNC(=O)N[C@@](C)(CO)c2cccc(Br)c2)C1 ZINC000897567197 663611633 /nfs/dbraw/zinc/61/16/33/663611633.db2.gz GTMIJMRBUIFDPP-KSSFIOAISA-N 1 0 398.345 2.688 20 0 GFADRO O=C(N[C@@H](c1cncc(Br)c1)C1CC1)C1C[NH+](C2CCOCC2)C1 ZINC000897696876 663616216 /nfs/dbraw/zinc/61/62/16/663616216.db2.gz QDXIGINSHGQOGW-QGZVFWFLSA-N 1 0 394.313 2.522 20 0 GFADRO O=C(N[C@@H](CCO)c1ccc(Cl)c(Cl)c1)C1C[NH+](C2CCOCC2)C1 ZINC000897738435 663617873 /nfs/dbraw/zinc/61/78/73/663617873.db2.gz BHBLEXZYENLFLD-KRWDZBQOSA-N 1 0 387.307 2.644 20 0 GFADRO COc1cc(C[NH2+][C@@H]2COCC[C@H]2OC)cc(Br)c1OC(F)F ZINC000897891548 663624493 /nfs/dbraw/zinc/62/44/93/663624493.db2.gz HMUIWJCTLSOVKP-VXGBXAGGSA-N 1 0 396.228 2.953 20 0 GFADRO CC(C)CC[NH+]1CCC(N[C@H]2Cc3cc(Br)cnc3NC2=O)CC1 ZINC000897978388 663628394 /nfs/dbraw/zinc/62/83/94/663628394.db2.gz OJASIILDXBOHDH-INIZCTEOSA-N 1 0 395.345 2.807 20 0 GFADRO CC(C)(C)[C@@H]1C[C@H]([NH2+][C@@H]2Cc3cc(Br)cnc3NC2=O)CCO1 ZINC000897979278 663629019 /nfs/dbraw/zinc/62/90/19/663629019.db2.gz ZCZNUZCFAWDSQT-MCIONIFRSA-N 1 0 382.302 2.891 20 0 GFADRO Cn1nnnc1CCC[NH2+]Cc1ccc(OC(F)(F)F)c(Br)c1 ZINC000898038285 663631095 /nfs/dbraw/zinc/63/10/95/663631095.db2.gz IWZVJBNDKHRDNJ-UHFFFAOYSA-N 1 0 394.195 2.594 20 0 GFADRO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]C[C@H]1CCCC(C)(C)O1 ZINC000898049958 663631362 /nfs/dbraw/zinc/63/13/62/663631362.db2.gz NZQYJDGBDXOXNN-UONOGXRCSA-N 1 0 389.949 2.642 20 0 GFADRO Nc1c(Cl)c(F)cc(C(=O)N2CCC(CO)([NH2+]CC3CC3)CC2)c1Cl ZINC000898110369 663633635 /nfs/dbraw/zinc/63/36/35/663633635.db2.gz QHIYYSQQARAPAB-UHFFFAOYSA-N 1 0 390.286 2.681 20 0 GFADRO O=c1cc(N2CC[C@H]([NH2+][C@@H]3CCc4cc(Br)ccc4C3)C2)nc[nH]1 ZINC000898158005 663636405 /nfs/dbraw/zinc/63/64/05/663636405.db2.gz PPOKMRWYECHVAR-CVEARBPZSA-N 1 0 389.297 2.671 20 0 GFADRO CC(C)[NH+]1CCN(c2ccc(C(=O)Nc3c[nH]nc3Br)cc2)CC1 ZINC000898486060 663652049 /nfs/dbraw/zinc/65/20/49/663652049.db2.gz FTBBIIXBCHXWBD-UHFFFAOYSA-N 1 0 392.301 2.955 20 0 GFADRO O=C(c1ccn(-c2cccc(Br)c2)n1)N1CC([NH+]2CCCC2)C1 ZINC000898609585 663657849 /nfs/dbraw/zinc/65/78/49/663657849.db2.gz AICIPHBWMKORDU-UHFFFAOYSA-N 1 0 375.270 2.555 20 0 GFADRO CC(C)(C)OC(=O)NC(C)(C)C[NH2+][C@@H]1CCc2ncc(Br)n2C1 ZINC000898726539 663661594 /nfs/dbraw/zinc/66/15/94/663661594.db2.gz ZPVSZAMTUAEJMM-LLVKDONJSA-N 1 0 387.322 2.853 20 0 GFADRO O=C1Nc2ccc(Br)cc2[C@H]1Cc1nc(CC2CC[NH2+]CC2)no1 ZINC000900017593 663706498 /nfs/dbraw/zinc/70/64/98/663706498.db2.gz NLUXLYKVZCKWDV-CYBMUJFWSA-N 1 0 391.269 2.653 20 0 GFADRO CC(C)[NH+]1CCN(CCCC(=O)NCc2cc(Br)cs2)CC1 ZINC000900244920 663710731 /nfs/dbraw/zinc/71/07/31/663710731.db2.gz CXPPMTUCXIGTFP-UHFFFAOYSA-N 1 0 388.375 2.933 20 0 GFADRO Cn1cc(C(=O)Nc2ccccc2NC2CC[NH+](C)CC2)c(Br)n1 ZINC000900510917 663716089 /nfs/dbraw/zinc/71/60/89/663716089.db2.gz ACYOMHARTFCPDM-UHFFFAOYSA-N 1 0 392.301 2.941 20 0 GFADRO O=C(NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccnc(Cl)c1Cl ZINC000900899705 663723538 /nfs/dbraw/zinc/72/35/38/663723538.db2.gz IARNGHCXULKVQJ-SFHVURJKSA-N 1 0 380.275 2.755 20 0 GFADRO C[NH+]1CCC(O)(CNC(=O)C(C)(C)Cc2ccc(Br)cc2)CC1 ZINC000900900713 663723572 /nfs/dbraw/zinc/72/35/72/663723572.db2.gz MZLNUUOEPXQENE-UHFFFAOYSA-N 1 0 383.330 2.591 20 0 GFADRO CC(C)[NH+]1CCN(CCC(=O)N(C)Cc2nc(C(F)(F)F)cs2)CC1 ZINC000900920377 663724661 /nfs/dbraw/zinc/72/46/61/663724661.db2.gz WTBNLICOINSVCC-UHFFFAOYSA-N 1 0 378.464 2.536 20 0 GFADRO CCn1c(Br)ncc1C(=O)Nc1cc(C)nn1C1CC[NH+](C)CC1 ZINC000900974507 663728082 /nfs/dbraw/zinc/72/80/82/663728082.db2.gz FKXSXKRUBRSEMS-UHFFFAOYSA-N 1 0 395.305 2.689 20 0 GFADRO COCCOc1c(Cl)cc(NC(=O)C[C@@]2(O)CCC[N@H+](C)C2)cc1Cl ZINC000901320233 663734188 /nfs/dbraw/zinc/73/41/88/663734188.db2.gz BAYKTEYPVLFCRI-KRWDZBQOSA-N 1 0 391.295 2.804 20 0 GFADRO COCCOc1ccc(Br)cc1NC(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC000901355502 663734645 /nfs/dbraw/zinc/73/46/45/663734645.db2.gz SKPQSOAXIHDCDD-KRWDZBQOSA-N 1 0 383.286 2.899 20 0 GFADRO NC(=O)[C@H]([NH2+]CCc1nc2c(s1)CCC2)c1cccc(Br)c1 ZINC000901577803 663738336 /nfs/dbraw/zinc/73/83/36/663738336.db2.gz BHEBPKTVBIGLMA-OAHLLOKOSA-N 1 0 380.311 2.753 20 0 GFADRO O=C(NC1CC1)[C@@H]([NH2+]CC1(n2cc(Br)cn2)CC1)c1ccccc1 ZINC000901608098 663739262 /nfs/dbraw/zinc/73/92/62/663739262.db2.gz SRKOVJLKCYJOCS-INIZCTEOSA-N 1 0 389.297 2.744 20 0 GFADRO NC(=O)[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]CCOC1CCSCC1 ZINC000901707005 663742693 /nfs/dbraw/zinc/74/26/93/663742693.db2.gz SYFMCPQASVQEKG-HNNXBMFYSA-N 1 0 376.444 2.604 20 0 GFADRO Cc1ccc(CNC(=O)[C@@H](C)[NH2+][C@@H]2CCc3ncc(Br)n3C2)cc1 ZINC000901728394 663743784 /nfs/dbraw/zinc/74/37/84/663743784.db2.gz MJZPADQYFBRPJA-UKRRQHHQSA-N 1 0 391.313 2.563 20 0 GFADRO Cc1ccc(CNC(=O)[C@H](C)[NH2+][C@H]2CCc3ncc(Br)n3C2)cc1 ZINC000901728395 663743818 /nfs/dbraw/zinc/74/38/18/663743818.db2.gz MJZPADQYFBRPJA-ZFWWWQNUSA-N 1 0 391.313 2.563 20 0 GFADRO OCC[N@@H+]1CCC[C@H]2[C@H]1CCN2Cn1c(=S)snc1-c1ccccc1 ZINC000902645775 663765246 /nfs/dbraw/zinc/76/52/46/663765246.db2.gz YJMUBDHVJIWCNU-JKSUJKDBSA-N 1 0 376.551 2.830 20 0 GFADRO CCCn1cc([C@H](C)[NH2+]CCCNC(=O)c2cccc(Br)c2)nn1 ZINC000902784054 663767523 /nfs/dbraw/zinc/76/75/23/663767523.db2.gz MTOZWJWCWLIOLK-ZDUSSCGKSA-N 1 0 394.317 2.921 20 0 GFADRO CCCn1cc([C@@H](C)[NH2+]C[C@@H](CO)Cc2cccc(Br)c2)nn1 ZINC000902972804 663770183 /nfs/dbraw/zinc/77/01/83/663770183.db2.gz IOAFAUZKETUPEX-HIFRSBDPSA-N 1 0 381.318 2.952 20 0 GFADRO C[C@H]([NH2+]C1CCN(Cc2cccc(Br)c2)CC1)c1cn(C)nn1 ZINC000903026230 663771371 /nfs/dbraw/zinc/77/13/71/663771371.db2.gz XDIWGSXVXVPQRE-ZDUSSCGKSA-N 1 0 378.318 2.893 20 0 GFADRO COc1ccc2c(c1Cl)[C@@H]([NH2+]CC1CCN(S(C)(=O)=O)CC1)CCC2 ZINC000903085683 663772818 /nfs/dbraw/zinc/77/28/18/663772818.db2.gz FRDQDDSIZMJASS-HNNXBMFYSA-N 1 0 386.945 2.987 20 0 GFADRO C[C@@H]([NH2+]CC(=O)NC1CCCC1)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000903120176 663774480 /nfs/dbraw/zinc/77/44/80/663774480.db2.gz NYYAEPUCTRRKAT-LLVKDONJSA-N 1 0 378.416 2.690 20 0 GFADRO C[C@@H]([NH2+]CC1(S(C)(=O)=O)CCC1)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000903164280 663776576 /nfs/dbraw/zinc/77/65/76/663776576.db2.gz KSYVZKOFRAMNBM-LLVKDONJSA-N 1 0 399.456 2.598 20 0 GFADRO Cc1cc(C(F)(F)F)nn1CC[NH2+][C@@H](C)CS(=O)(=O)c1ccccc1 ZINC000903165460 663776604 /nfs/dbraw/zinc/77/66/04/663776604.db2.gz UEPATECSYUNACX-LBPRGKRZSA-N 1 0 375.416 2.662 20 0 GFADRO Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)[NH2+]C[C@@H]1CC[C@H](C(F)(F)F)O1 ZINC000903179540 663777246 /nfs/dbraw/zinc/77/72/46/663777246.db2.gz QDAKZNWWGPBKNM-SLEUVZQESA-N 1 0 380.432 2.711 20 0 GFADRO COc1ccccc1NC(=O)C[C@@H](C)[NH2+]Cc1cn(C)nc1Br ZINC000903188543 663777440 /nfs/dbraw/zinc/77/74/40/663777440.db2.gz FNJIJWDQOKMCIV-LLVKDONJSA-N 1 0 381.274 2.698 20 0 GFADRO COc1ccc(NC(=O)C[C@@H](C)[NH2+]Cc2cn(C)nc2Br)cc1 ZINC000903188212 663777464 /nfs/dbraw/zinc/77/74/64/663777464.db2.gz BGKJOPSGOLVKJM-LLVKDONJSA-N 1 0 381.274 2.698 20 0 GFADRO O=S(=O)(c1cc(Br)ccc1Cl)N1CCC([NH+]2CCC2)CC1 ZINC000903202417 663778183 /nfs/dbraw/zinc/77/81/83/663778183.db2.gz CHFXVPWILDMTFN-UHFFFAOYSA-N 1 0 393.734 2.961 20 0 GFADRO O=S(=O)(c1ccc(Cl)c(Br)c1)N1CCC([NH+]2CCC2)CC1 ZINC000903204321 663778435 /nfs/dbraw/zinc/77/84/35/663778435.db2.gz NODONFFCDIRRDP-UHFFFAOYSA-N 1 0 393.734 2.961 20 0 GFADRO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CC[C@H]1CC(=O)N(C)C1 ZINC000903221398 663778845 /nfs/dbraw/zinc/77/88/45/663778845.db2.gz ZDNCLLFLTCDGPC-OLZOCXBDSA-N 1 0 382.302 2.624 20 0 GFADRO CCNS(=O)(=O)c1cccc(C[NH2+][C@@H](C)c2ccc([S@](C)=O)cc2)c1 ZINC000903234990 663780214 /nfs/dbraw/zinc/78/02/14/663780214.db2.gz UZGDWBYTKMFEAJ-BSEYFRJRSA-N 1 0 380.535 2.573 20 0 GFADRO CC[C@@H]([NH2+]Cc1cnn(CCF)c1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000903274694 663780867 /nfs/dbraw/zinc/78/08/67/663780867.db2.gz QQDACXBULXVFDT-OAHLLOKOSA-N 1 0 388.896 2.655 20 0 GFADRO C[C@H]([NH2+][C@@H]1Cc2cc(Br)cnc2NC1=O)C1(Br)CC1 ZINC000903324652 663781906 /nfs/dbraw/zinc/78/19/06/663781906.db2.gz IKDSAGQUVQHCKU-OIBJUYFYSA-N 1 0 389.091 2.613 20 0 GFADRO CO[C@]1(C[NH2+][C@H](C)CCc2cccc(C(F)(F)F)c2)CCS(=O)(=O)C1 ZINC000903368933 663783121 /nfs/dbraw/zinc/78/31/21/663783121.db2.gz RXDGRYGGNLOCPX-CJNGLKHVSA-N 1 0 379.444 2.820 20 0 GFADRO O=c1ccn(CCC[NH2+][C@H]2CCc3c2cc(Br)cc3F)c(=O)[nH]1 ZINC000903432138 663784570 /nfs/dbraw/zinc/78/45/70/663784570.db2.gz IDRFWENGISGIBM-AWEZNQCLSA-N 1 0 382.233 2.518 20 0 GFADRO C[C@@H]([NH2+][C@@H]1CCc2ncc(Br)n2C1)c1cnnn1-c1ccccc1 ZINC000903480254 663785532 /nfs/dbraw/zinc/78/55/32/663785532.db2.gz OJKVSGNMWOQAHZ-CHWSQXEVSA-N 1 0 387.285 2.892 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCCN(S(=O)(=O)Cc2cccc(Cl)c2Br)C1 ZINC000903513964 663786406 /nfs/dbraw/zinc/78/64/06/663786406.db2.gz XKISRQLLRYCPNP-QWRGUYRKSA-N 1 0 395.750 2.992 20 0 GFADRO Cc1ccc(NC(=O)CN2CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C2)c(Br)c1 ZINC000903533134 663787511 /nfs/dbraw/zinc/78/75/11/663787511.db2.gz BJYNWKMNNOKXLB-PWSUYJOCSA-N 1 0 394.235 2.908 20 0 GFADRO [NH3+][C@H]1CN(CC(=O)Nc2ccccc2Br)CC[C@H]1C(F)(F)F ZINC000903533905 663787594 /nfs/dbraw/zinc/78/75/94/663787594.db2.gz LWCUCKKMNPUSNZ-KOLCDFICSA-N 1 0 380.208 2.599 20 0 GFADRO Cc1sc2ccc(Cl)cc2c1S(=O)(=O)N(C)C1(C[NH3+])CCOCC1 ZINC000903542168 663787921 /nfs/dbraw/zinc/78/79/21/663787921.db2.gz FNYOTIIIQFQSLK-UHFFFAOYSA-N 1 0 388.942 2.992 20 0 GFADRO O=S(=O)(Cc1c(Cl)cccc1Cl)N[C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903545226 663788029 /nfs/dbraw/zinc/78/80/29/663788029.db2.gz FKNUJMNFXPBQQO-LBPRGKRZSA-N 1 0 393.336 2.572 20 0 GFADRO O=S(=O)(c1c(Cl)cc(F)cc1Cl)N1CC[NH2+]CCC12CCOCC2 ZINC000903549050 663788430 /nfs/dbraw/zinc/78/84/30/663788430.db2.gz CRILNRKWWVCTQO-UHFFFAOYSA-N 1 0 397.299 2.666 20 0 GFADRO C[C@@H]1CN(S(=O)(=O)c2cc(Cl)ccc2Br)C[C@H]1CC[NH3+] ZINC000903555974 663788497 /nfs/dbraw/zinc/78/84/97/663788497.db2.gz IMSJVUNZLHVIEW-NXEZZACHSA-N 1 0 381.723 2.708 20 0 GFADRO O=S(=O)(NC1(C2CC[NH2+]CC2)CC1)c1ccc(Cl)cc1Br ZINC000903557485 663788650 /nfs/dbraw/zinc/78/86/50/663788650.db2.gz CYWDGDQIUAAPFW-UHFFFAOYSA-N 1 0 393.734 2.913 20 0 GFADRO Cc1nc(-c2ccc(S(=O)(=O)N3C[C@@H](C(F)(F)F)[C@H]([NH3+])C3)s2)cs1 ZINC000903572214 663789199 /nfs/dbraw/zinc/78/91/99/663789199.db2.gz IPSNSBZHBHNVAR-RKDXNWHRSA-N 1 0 397.469 2.690 20 0 GFADRO [NH3+]C[C@H]1C[C@H](NS(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 ZINC000903571117 663789244 /nfs/dbraw/zinc/78/92/44/663789244.db2.gz RTURBNKKICZWGG-GVJMRKKJSA-N 1 0 376.322 2.740 20 0 GFADRO O=C(c1ccccc1Cl)C1CCN(S(=O)(=O)CC2CC[NH2+]CC2)CC1 ZINC000903571382 663789338 /nfs/dbraw/zinc/78/93/38/663789338.db2.gz CXHLGCKXROIECG-UHFFFAOYSA-N 1 0 384.929 2.564 20 0 GFADRO [NH3+][C@@H]1CN(S(=O)(=O)c2c(Cl)ccc(F)c2F)CC[C@H]1C(F)(F)F ZINC000903578066 663789847 /nfs/dbraw/zinc/78/98/47/663789847.db2.gz BFJYKOXRBJOLQY-HZGVNTEJSA-N 1 0 378.750 2.518 20 0 GFADRO [NH3+][C@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)s2)CC[C@H]1C(F)(F)F ZINC000903580194 663790248 /nfs/dbraw/zinc/79/02/48/663790248.db2.gz SRWZNRMXJQSALU-RQJHMYQMSA-N 1 0 382.351 2.667 20 0 GFADRO O=S(=O)(c1cc(Br)ccc1Cl)N1CCC[C@@]12CC[NH2+]C2 ZINC000903595482 663791411 /nfs/dbraw/zinc/79/14/11/663791411.db2.gz LNNCPUQRBWIRQW-ZDUSSCGKSA-N 1 0 379.707 2.619 20 0 GFADRO Brc1ccc([C@H]2COCCN2C[C@H]2CC3(CO2)CC[NH2+]CC3)cc1 ZINC000903767151 663806067 /nfs/dbraw/zinc/80/60/67/663806067.db2.gz UTZJJJJDFYZWQV-QZTJIDSGSA-N 1 0 395.341 2.981 20 0 GFADRO Brc1cnc([C@@H]2CCCCN2C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)nc1 ZINC000903787408 663806687 /nfs/dbraw/zinc/80/66/87/663806687.db2.gz VWSBEAROSQUDEU-YQQAZPJKSA-N 1 0 381.318 2.535 20 0 GFADRO Brc1cnc([C@H]2CCCCN2C[C@@H]2CC3(CO2)CC[NH2+]CC3)nc1 ZINC000903786251 663806726 /nfs/dbraw/zinc/80/67/26/663806726.db2.gz GYONNXBIXSRONP-JKSUJKDBSA-N 1 0 395.345 2.925 20 0 GFADRO COC[C@H]1C[NH2+]CCN1CC(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000903875613 663809768 /nfs/dbraw/zinc/80/97/68/663809768.db2.gz GAVYDRMIRKUCES-PBHICJAKSA-N 1 0 386.323 2.577 20 0 GFADRO COc1ccc(CN2CCc3sc(C[NH3+])nc3C2)c(Br)c1O ZINC000903942306 663813079 /nfs/dbraw/zinc/81/30/79/663813079.db2.gz NNQVBUHRMTYVDB-UHFFFAOYSA-N 1 0 384.299 2.637 20 0 GFADRO COc1cc(Br)c(CN[C@H]2C[NH2+]CC3(CCOCC3)C2)c(OC)c1 ZINC000903974395 663814298 /nfs/dbraw/zinc/81/42/98/663814298.db2.gz UQBHCPGPWQRBOT-CYBMUJFWSA-N 1 0 399.329 2.715 20 0 GFADRO C[NH2+][C@H](C)Cc1noc(-c2nnn(-c3ccccc3Br)c2C)n1 ZINC000904076734 663822785 /nfs/dbraw/zinc/82/27/85/663822785.db2.gz HARYXOKEFWITRS-SECBINFHSA-N 1 0 377.246 2.539 20 0 GFADRO [NH3+]C[C@@]12CC[C@@H]1CCCN2C(=O)Nc1cc2c(cc1Br)OCCO2 ZINC000904279406 663829957 /nfs/dbraw/zinc/82/99/57/663829957.db2.gz UTFBDCOUAINRCC-GTNSWQLSSA-N 1 0 396.285 2.956 20 0 GFADRO [NH3+]C[C@H]1C[C@H](NC(=O)Nc2ccc(Cl)cc2I)C1 ZINC000904376549 663832093 /nfs/dbraw/zinc/83/20/93/663832093.db2.gz BMLRYRUIEOYREM-XWEPSHTISA-N 1 0 379.629 2.803 20 0 GFADRO [NH3+]C[C@]12CC[C@@H]1CCN2C(=O)Nc1cccc(F)c1I ZINC000904393983 663832521 /nfs/dbraw/zinc/83/25/21/663832521.db2.gz KEKKHVUGHSPHHQ-YMTOWFKASA-N 1 0 389.212 2.775 20 0 GFADRO COC(=O)c1cccc(NC(=O)N2CCC[C@H]3CC[C@@]32C[NH3+])c1Br ZINC000904449079 663834744 /nfs/dbraw/zinc/83/47/44/663834744.db2.gz FYUPBILCDLKXAA-APPDUMDISA-N 1 0 396.285 2.971 20 0 GFADRO Cc1ncc(Br)cc1NC(=O)N1CC[NH2+]CCC12CCOCC2 ZINC000904495427 663836614 /nfs/dbraw/zinc/83/66/14/663836614.db2.gz MTBNQEORCOZGBE-UHFFFAOYSA-N 1 0 383.290 2.529 20 0 GFADRO COCCOc1ccc(NC(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)cc1Br ZINC000904548110 663837262 /nfs/dbraw/zinc/83/72/62/663837262.db2.gz IRZVCIWFDPNIOH-YPMHNXCESA-N 1 0 386.290 2.736 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)C[NH2+]C[C@H](O)CC1(O)CCCCC1 ZINC000905082721 663851909 /nfs/dbraw/zinc/85/19/09/663851909.db2.gz UFQWXLRIQFUWSO-OAHLLOKOSA-N 1 0 399.329 2.732 20 0 GFADRO CSC[C@@H](C)[NH2+]C[C@@H](O)c1ccc2c(c1)CN(C(=O)C(F)(F)F)CC2 ZINC000905128607 663854185 /nfs/dbraw/zinc/85/41/85/663854185.db2.gz SPHYIOPBPRBVNP-IAQYHMDHSA-N 1 0 376.444 2.508 20 0 GFADRO O=S(=O)(C1CC1)N1CCC([NH2+]C[C@@H](O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000905157821 663855653 /nfs/dbraw/zinc/85/56/53/663855653.db2.gz BLAVZCVVLHFTGY-MRXNPFEDSA-N 1 0 393.336 2.573 20 0 GFADRO CC1CC[NH+](CCCNC(=O)c2nscc2I)CC1 ZINC000905343491 663866399 /nfs/dbraw/zinc/86/63/99/663866399.db2.gz IRUAEPZDGZKAQX-UHFFFAOYSA-N 1 0 393.294 2.600 20 0 GFADRO O=S(=O)(CC1CC[NH2+]CC1)N1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000905342509 663866503 /nfs/dbraw/zinc/86/65/03/663866503.db2.gz IDHAIFKTNZRSBW-HNNXBMFYSA-N 1 0 383.583 2.531 20 0 GFADRO O[C@H](CC[C@H](O)C[NH2+]C[C@H](O)c1cccc(Br)c1)c1ccccc1 ZINC000905370498 663867950 /nfs/dbraw/zinc/86/79/50/663867950.db2.gz FAZLGUQWMRDRKX-OTWHNJEPSA-N 1 0 394.309 2.947 20 0 GFADRO CC(C)[NH+]1CCN(CCC[NH2+][C@H](C(=O)[O-])c2ccccc2Br)CC1 ZINC000905393647 663869312 /nfs/dbraw/zinc/86/93/12/663869312.db2.gz AYNJABAXFYAFOQ-KRWDZBQOSA-N 1 0 398.345 2.581 20 0 GFADRO C[C@@H](C[NH2+]C[C@@](C)(O)C(F)(F)C(F)(F)F)c1ccc(S(C)(=O)=O)cc1 ZINC000905403385 663869868 /nfs/dbraw/zinc/86/98/68/663869868.db2.gz BKYGERMSTKCQMH-GXFFZTMASA-N 1 0 389.386 2.732 20 0 GFADRO C[C@@H](C[NH2+]C[C@](C)(O)C(F)(F)C(F)(F)F)c1ccc(S(C)(=O)=O)cc1 ZINC000905403384 663869932 /nfs/dbraw/zinc/86/99/32/663869932.db2.gz BKYGERMSTKCQMH-GWCFXTLKSA-N 1 0 389.386 2.732 20 0 GFADRO O[C@@H](CC[C@H](O)c1ccccc1)C[NH2+]CC1(n2cc(Br)cn2)CC1 ZINC000905587336 663880145 /nfs/dbraw/zinc/88/01/45/663880145.db2.gz OKODHLGOMNPNCY-IRXDYDNUSA-N 1 0 394.313 2.599 20 0 GFADRO O[C@H](C[NH2+]C[C@H]1CCN1C1CCOCC1)COc1cc(Cl)ccc1Cl ZINC000905621999 663882269 /nfs/dbraw/zinc/88/22/69/663882269.db2.gz FQAAZGCXGBXXHQ-HZPDHXFCSA-N 1 0 389.323 2.576 20 0 GFADRO COC(=O)[C@@H]1C[C@@H]2C[C@H]([NH2+]C[C@@H](O)c3ccc(F)c(Br)c3)[C@@H]2C1 ZINC000905653369 663883963 /nfs/dbraw/zinc/88/39/63/663883963.db2.gz JLYPOTLXZKYWML-ASUKHRCTSA-N 1 0 386.261 2.799 20 0 GFADRO COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@H](O)COc2cccc(Br)c2)C1 ZINC000905709215 663888235 /nfs/dbraw/zinc/88/82/35/663888235.db2.gz IPPCTNOTJXNZDH-SNPRPXQTSA-N 1 0 386.286 2.510 20 0 GFADRO O=C1N[C@@]2(CCC[NH2+]C2)C(=O)N1Cc1cc(Br)c2ccccc2c1 ZINC000905735965 663889938 /nfs/dbraw/zinc/88/99/38/663889938.db2.gz ZAWKQZUXPMIRGH-GOSISDBHSA-N 1 0 388.265 2.776 20 0 GFADRO [NH3+]C1CCN(Cc2cn(Cc3ccc(Cl)cc3Br)nn2)CC1 ZINC000905801284 663892938 /nfs/dbraw/zinc/89/29/38/663892938.db2.gz YYWXZOJABPVOSL-UHFFFAOYSA-N 1 0 384.709 2.665 20 0 GFADRO [NH3+][C@@H]1CCCN(Cc2cn(Cc3cccc(Cl)c3Br)nn2)C1 ZINC000905833063 663894926 /nfs/dbraw/zinc/89/49/26/663894926.db2.gz MOXPPBQSHGJGIF-GFCCVEGCSA-N 1 0 384.709 2.665 20 0 GFADRO C[C@@H]1[C@H](C)OC[C@]12CC[C@H](C[NH2+][C@@H](C(N)=O)c1cccc(Br)c1)O2 ZINC000905842475 663895976 /nfs/dbraw/zinc/89/59/76/663895976.db2.gz NWIJYMZSWHDVGH-ATYKZZGHSA-N 1 0 397.313 2.538 20 0 GFADRO O[C@@H](C[NH2+]C[C@]1(N2CCOCC2)CCSC1)c1ccc(Cl)c(Cl)c1 ZINC000905917448 663901000 /nfs/dbraw/zinc/90/10/00/663901000.db2.gz CLTYTNOXACUMMK-DLBZAZTESA-N 1 0 391.364 2.824 20 0 GFADRO C[C@@H](CNC(=O)c1cc(Br)cn(C2CC2)c1=O)[N@@H+]1CCC[C@H](C)C1 ZINC000906166820 663930025 /nfs/dbraw/zinc/93/00/25/663930025.db2.gz AOUFNTUGORDXFV-STQMWFEESA-N 1 0 396.329 2.796 20 0 GFADRO CO[C@@H](C(=O)Nc1cnn(CC[NH+](C)C)c1)c1ccc(Br)s1 ZINC000906483447 663951965 /nfs/dbraw/zinc/95/19/65/663951965.db2.gz JAPLEWUZNUZLSO-CYBMUJFWSA-N 1 0 387.303 2.595 20 0 GFADRO CC(C)[N@@H+]1CCCN(C(=O)c2cc(Br)cn(C3CC3)c2=O)CC1 ZINC000906545784 663957175 /nfs/dbraw/zinc/95/71/75/663957175.db2.gz MUJTYXLHXGIKJZ-UHFFFAOYSA-N 1 0 382.302 2.502 20 0 GFADRO CN1CCN(C(=O)c2nscc2I)c2ccccc2C1 ZINC000906566454 663958737 /nfs/dbraw/zinc/95/87/37/663958737.db2.gz OGXQZVWCBOZGKQ-UHFFFAOYSA-N 1 0 399.257 2.840 20 0 GFADRO CCc1cc(C(=O)N(C)CCCN2CC[NH+](C)CC2)ccc1Br ZINC000906641396 663962548 /nfs/dbraw/zinc/96/25/48/663962548.db2.gz XWJYWKVCZPDQCL-UHFFFAOYSA-N 1 0 382.346 2.721 20 0 GFADRO C[NH+](C)CCC1CCN(C(=O)c2nscc2I)CC1 ZINC000906680534 663964798 /nfs/dbraw/zinc/96/47/98/663964798.db2.gz YDXXYQMKDKNXIQ-UHFFFAOYSA-N 1 0 393.294 2.552 20 0 GFADRO O=C(c1cccn2ncc(Br)c12)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000906775385 663969884 /nfs/dbraw/zinc/96/98/84/663969884.db2.gz PIXMGWTXUWCKBR-CYBMUJFWSA-N 1 0 377.286 2.655 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc(Br)cn(C3CC3)c2=O)C[C@@H]1C ZINC000906783264 663970474 /nfs/dbraw/zinc/97/04/74/663970474.db2.gz YHYWZFVYDGUVLO-WFASDCNBSA-N 1 0 396.329 2.891 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc(Br)cn(C3CC3)c2=O)[C@H](C)C1 ZINC000906793730 663971641 /nfs/dbraw/zinc/97/16/41/663971641.db2.gz REDJOYHTPQLMLX-WBMJQRKESA-N 1 0 396.329 2.748 20 0 GFADRO O=S(=O)(NC1CC[NH+](C2CCOCC2)CC1)c1cc(Cl)ccc1Cl ZINC000907330706 664024075 /nfs/dbraw/zinc/02/40/75/664024075.db2.gz SEJIDPAFGOOBCV-UHFFFAOYSA-N 1 0 393.336 2.915 20 0 GFADRO O=S(=O)(/C=C/c1ccccc1Cl)NC1CC[NH+](C2CCOCC2)CC1 ZINC000907330061 664024172 /nfs/dbraw/zinc/02/41/72/664024172.db2.gz RBUNKALFIMXQCY-NTEUORMPSA-N 1 0 384.929 2.874 20 0 GFADRO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)S(=O)(=O)[C@H]3COC(C)(C)C3)C2)s1 ZINC000907345787 664026050 /nfs/dbraw/zinc/02/60/50/664026050.db2.gz JKNPPVMXBITVMH-DOTOQJQBSA-N 1 0 386.583 2.708 20 0 GFADRO CC(C)n1cc(Br)c(C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)n1 ZINC000907821223 664063913 /nfs/dbraw/zinc/06/39/13/664063913.db2.gz NCQFXMPLIHNMFP-UHFFFAOYSA-N 1 0 395.305 2.942 20 0 GFADRO COc1ccc([C@@H](C[NH+](C)C)NC(=O)C[C@@H](O)C(Cl)(Cl)Cl)cc1 ZINC000908090682 664082394 /nfs/dbraw/zinc/08/23/94/664082394.db2.gz DSVYSLZLQRNHQN-CHWSQXEVSA-N 1 0 383.703 2.535 20 0 GFADRO COC(=O)c1nc(C(=O)NC[C@H](C[NH+](C)C)c2ccc(Cl)cc2)cs1 ZINC000908156698 664088444 /nfs/dbraw/zinc/08/84/44/664088444.db2.gz PJVUZNKFRJQJDB-GFCCVEGCSA-N 1 0 381.885 2.658 20 0 GFADRO O=C(c1cc(Br)ccc1C1CC1)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000908201412 664091643 /nfs/dbraw/zinc/09/16/43/664091643.db2.gz LTHMVAVGTHOBFK-HUUCEWRRSA-N 1 0 379.298 2.608 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH]c4ccc(Br)cc34)C[C@@H]2C1 ZINC000908293222 664097303 /nfs/dbraw/zinc/09/73/03/664097303.db2.gz MMIYQQXCKLIIFX-OCCSQVGLSA-N 1 0 376.298 2.883 20 0 GFADRO C[N@@H+]1CC[C@]2(CCN(C(=O)c3cnnn3-c3cc(Cl)ccc3Cl)C2)C1 ZINC000908362921 664102016 /nfs/dbraw/zinc/10/20/16/664102016.db2.gz MYAGQTLPFDSVQZ-KRWDZBQOSA-N 1 0 380.279 2.742 20 0 GFADRO C[C@H](NC(=O)C[C@]1(O)CCC[N@H+](C)C1)c1ccc(C(F)(F)F)nc1Cl ZINC000908407275 664104566 /nfs/dbraw/zinc/10/45/66/664104566.db2.gz VFUUWISEQWMTEH-ZUZCIYMTSA-N 1 0 379.810 2.778 20 0 GFADRO C[NH+]1CCC2(CCC(NC(=O)c3cc[nH]c(=O)c3Br)CC2)CC1 ZINC000908495073 664110639 /nfs/dbraw/zinc/11/06/39/664110639.db2.gz XQSBIPBYWVMFRL-UHFFFAOYSA-N 1 0 382.302 2.934 20 0 GFADRO C[NH+](C)CC1CN(C(=O)c2c(Cl)ccc(I)c2F)C1 ZINC000908534143 664112816 /nfs/dbraw/zinc/11/28/16/664112816.db2.gz VAVTUSOFIGNDDL-UHFFFAOYSA-N 1 0 396.631 2.717 20 0 GFADRO CC(C)[NH2+]C1(CO)CCN(C(=O)[C@H](C)Oc2cccc(Br)c2)CC1 ZINC000908597619 664116419 /nfs/dbraw/zinc/11/64/19/664116419.db2.gz HDISQDGDFADJAL-AWEZNQCLSA-N 1 0 399.329 2.568 20 0 GFADRO CC(C)[NH2+]C1(CO)CCN(C(=O)c2cn3cc(Cl)cc(Cl)c3n2)CC1 ZINC000908604922 664117130 /nfs/dbraw/zinc/11/71/30/664117130.db2.gz OSZXVHKGRFDVGR-UHFFFAOYSA-N 1 0 385.295 2.606 20 0 GFADRO Cn1cc([C@H]2C[N@H+](C)CC[C@H]2C(=O)Nc2cccc(O)c2Br)cn1 ZINC000908710624 664122499 /nfs/dbraw/zinc/12/24/99/664122499.db2.gz MIXXTVLOMPMLEN-CHWSQXEVSA-N 1 0 393.285 2.562 20 0 GFADRO Cc1cc(CNC(=O)CCN2CC[NH+](C(C)C)CC2)ccc1Br ZINC000909855121 664180786 /nfs/dbraw/zinc/18/07/86/664180786.db2.gz CCEOAFRGIZTLIR-UHFFFAOYSA-N 1 0 382.346 2.790 20 0 GFADRO CC[N@@H+]1CCCN(C(=O)c2c(C)nc3ccc(Br)cn32)[C@@H](C)C1 ZINC000910274051 664203793 /nfs/dbraw/zinc/20/37/93/664203793.db2.gz MHQCCTWTOUJPJH-LBPRGKRZSA-N 1 0 379.302 2.962 20 0 GFADRO CC[N@@H+]1CCCN(C(=O)c2cc(Br)cc3[nH]c(=O)[nH]c32)[C@H](C)C1 ZINC000910273665 664203906 /nfs/dbraw/zinc/20/39/06/664203906.db2.gz KDSTXDVWMUNJIF-SNVBAGLBSA-N 1 0 381.274 2.587 20 0 GFADRO CC[N@@H+]1CCCN(C(=O)C[C@@](O)(c2nc(C)cs2)C(F)(F)F)[C@@H](C)C1 ZINC000910290528 664204751 /nfs/dbraw/zinc/20/47/51/664204751.db2.gz YIIWYNPYXUAGEN-SWLSCSKDSA-N 1 0 379.448 2.534 20 0 GFADRO CC(C)[N@H+](CCO)CC1CCN(C(=O)c2ncsc2C(F)(F)F)CC1 ZINC000910868478 664230536 /nfs/dbraw/zinc/23/05/36/664230536.db2.gz ITGKMFLJPSSQNN-UHFFFAOYSA-N 1 0 379.448 2.717 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C[C@H]1c2cc(Br)ccc2NC1=O ZINC000911682713 664252766 /nfs/dbraw/zinc/25/27/66/664252766.db2.gz CJSKTQQYRFZEHL-VZJVUDMVSA-N 1 0 380.286 2.603 20 0 GFADRO CC[NH2+]CCCNC(=O)c1c(Cl)ccc(I)c1F ZINC000911687502 664253043 /nfs/dbraw/zinc/25/30/43/664253043.db2.gz HKQGCMWMQDFHCC-UHFFFAOYSA-N 1 0 384.620 2.813 20 0 GFADRO CCCN(C(=O)c1nnn(-c2ccccc2Br)c1C)[C@@H]1CC[NH2+]C1 ZINC000911766190 664256134 /nfs/dbraw/zinc/25/61/34/664256134.db2.gz CMIXMGJNBHOFIV-CYBMUJFWSA-N 1 0 392.301 2.552 20 0 GFADRO Cc1cc(C(=O)NCC[C@H]2CC[NH2+]C2)nn1-c1ccccc1Br ZINC000911776809 664256308 /nfs/dbraw/zinc/25/63/08/664256308.db2.gz YBRCFZBCZYEPIM-CYBMUJFWSA-N 1 0 377.286 2.673 20 0 GFADRO CC(C)[C@@](C)(C[NH3+])NC(=O)c1cnn(Cc2ccccc2)c1Br ZINC000911829393 664257809 /nfs/dbraw/zinc/25/78/09/664257809.db2.gz AHMAKFJDGOJJRU-QGZVFWFLSA-N 1 0 379.302 2.797 20 0 GFADRO COc1ccc(Br)cc1[C@H](N)C(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000911855081 664258878 /nfs/dbraw/zinc/25/88/78/664258878.db2.gz HBHSKXWBVPPCKD-GTNSWQLSSA-N 1 0 392.297 2.794 20 0 GFADRO CC(C)[C@H]([NH3+])CCN(C)C(=O)c1cc(Br)c(Br)[nH]1 ZINC000911871832 664260203 /nfs/dbraw/zinc/26/02/03/664260203.db2.gz VJZFKDOKOXHCJB-SECBINFHSA-N 1 0 381.112 2.985 20 0 GFADRO CC(C)[C@H]([NH3+])CCN(C)C(=O)C[C@H]1c2cccc(Br)c2NC1=O ZINC000911871882 664260272 /nfs/dbraw/zinc/26/02/72/664260272.db2.gz WNCDYPFLPSMRNP-GXTWGEPZSA-N 1 0 382.302 2.707 20 0 GFADRO [NH3+][C@H](CC(=O)NC[C@H](O)c1ccccc1)Cc1ccc(Br)cc1 ZINC000911968454 664264237 /nfs/dbraw/zinc/26/42/37/664264237.db2.gz XJCVFFZKGDVTEB-IRXDYDNUSA-N 1 0 377.282 2.559 20 0 GFADRO CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)CC1CC([NH3+])C1 ZINC000912023814 664267123 /nfs/dbraw/zinc/26/71/23/664267123.db2.gz SAQPCFAGFBISLN-UHFFFAOYSA-N 1 0 377.794 2.883 20 0 GFADRO Cc1nc(-c2ccc(CNC(=O)C3=NO[C@]4(C3)CCC[NH2+]C4)s2)cs1 ZINC000912133485 664271326 /nfs/dbraw/zinc/27/13/26/664271326.db2.gz NRKSQOXJAQETNV-KRWDZBQOSA-N 1 0 376.507 2.695 20 0 GFADRO Brc1nnc(-c2ccc(NCC[N@H+]3C[C@H]4CC[C@@H](C3)O4)cc2)o1 ZINC000912189991 664275006 /nfs/dbraw/zinc/27/50/06/664275006.db2.gz YUDZDSULXMSFLK-OKILXGFUSA-N 1 0 379.258 2.774 20 0 GFADRO Cc1cc(Br)ccc1CC(=O)N1CCC(CO)([NH2+]CC(C)C)CC1 ZINC000912586638 664293892 /nfs/dbraw/zinc/29/38/92/664293892.db2.gz GISNOKHJIIJNRV-UHFFFAOYSA-N 1 0 397.357 2.899 20 0 GFADRO CC(C)C[NH2+]C1(CO)CCN(C(=O)COc2ccc(Cl)cc2Cl)CC1 ZINC000912597031 664294377 /nfs/dbraw/zinc/29/43/77/664294377.db2.gz YFQSTXSKKXPKMK-UHFFFAOYSA-N 1 0 389.323 2.971 20 0 GFADRO O=C(c1ccn(-c2ccc(Br)cc2)n1)N1CCC([NH+]2CCC2)CC1 ZINC000912872056 664307013 /nfs/dbraw/zinc/30/70/13/664307013.db2.gz MNWUZEMHYNDJOM-UHFFFAOYSA-N 1 0 389.297 2.945 20 0 GFADRO O=C(c1cnc2ncc(Br)cc2c1)N1CCC([NH+]2CCC2)CC1 ZINC000912875040 664307096 /nfs/dbraw/zinc/30/70/96/664307096.db2.gz NTJLRHUESUJCSI-UHFFFAOYSA-N 1 0 375.270 2.703 20 0 GFADRO Cc1cc(C)c(C(=O)N2CC[C@@H]([NH+]3CCC3)C2)cc1I ZINC000912910050 664309541 /nfs/dbraw/zinc/30/95/41/664309541.db2.gz WXIMTDRFXKDPLW-CYBMUJFWSA-N 1 0 384.261 2.828 20 0 GFADRO O=C(c1ccn(-c2cccc(Br)c2)n1)N1CC[C@H]([NH+]2CCC2)C1 ZINC000912918034 664310302 /nfs/dbraw/zinc/31/03/02/664310302.db2.gz SSOAJEHDYNTGBZ-HNNXBMFYSA-N 1 0 375.270 2.555 20 0 GFADRO Cn1nc2cc(Br)ccc2c1C(=O)N1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1 ZINC000913276176 664330936 /nfs/dbraw/zinc/33/09/36/664330936.db2.gz YEMPTXMOSUKRIS-QZTJIDSGSA-N 1 0 391.313 2.750 20 0 GFADRO C[NH+](C)CC1(O)CCN(C(=O)c2cc(Cl)c(F)cc2Br)CC1 ZINC000913677244 664348901 /nfs/dbraw/zinc/34/89/01/664348901.db2.gz GZOBLWCWTHAIQR-UHFFFAOYSA-N 1 0 393.684 2.770 20 0 GFADRO Cc1cc(C(C)(C)C(=O)N2CCC(O)(C[NH+](C)C)CC2)ccc1Br ZINC000913676803 664348936 /nfs/dbraw/zinc/34/89/36/664348936.db2.gz MJWPBRFBJDEXQJ-UHFFFAOYSA-N 1 0 397.357 2.950 20 0 GFADRO C[N@H+](CC(=O)Nc1ccc(N2CC[C@@H](CO)C2)c(Br)c1)C1CCC1 ZINC000913688666 664350335 /nfs/dbraw/zinc/35/03/35/664350335.db2.gz HQIJVOXNJAWYNH-CYBMUJFWSA-N 1 0 396.329 2.691 20 0 GFADRO O=C(C[C@@H](O)c1cc(Cl)cc(Cl)c1)N1CC[NH+](CCCCCO)CC1 ZINC000913692436 664350521 /nfs/dbraw/zinc/35/05/21/664350521.db2.gz LZWJWTQZWXRAPG-QGZVFWFLSA-N 1 0 389.323 2.724 20 0 GFADRO CN(Cc1ccc(C(F)(F)F)cc1)S(=O)(=O)C[C@@]12CC[N@H+](C1)CCC2 ZINC000913843609 664360917 /nfs/dbraw/zinc/36/09/17/664360917.db2.gz HUVODGNVHKFMOH-INIZCTEOSA-N 1 0 376.444 2.953 20 0 GFADRO C[NH+](C)C1(CNC(=O)N2CCC[C@@H]2c2ncc(Br)cn2)CCCC1 ZINC000913874072 664362878 /nfs/dbraw/zinc/36/28/78/664362878.db2.gz BVIDSNIFEOFKQA-CQSZACIVSA-N 1 0 396.333 2.960 20 0 GFADRO O=C(NCc1coc(-c2cccs2)n1)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000913971318 664369623 /nfs/dbraw/zinc/36/96/23/664369623.db2.gz CCBSUEVBHWNDKY-ZIAGYGMSSA-N 1 0 378.523 2.782 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)N1CCC(CO)(C(F)(F)F)CC1)c1ccsc1 ZINC000914073527 664374356 /nfs/dbraw/zinc/37/43/56/664374356.db2.gz NFQOEAWLERCQPJ-CYBMUJFWSA-N 1 0 379.448 2.697 20 0 GFADRO CC[N@H+](C)C[C@H]1CCN(S(=O)(=O)Cc2ccsc2Br)C1 ZINC000914204982 664385461 /nfs/dbraw/zinc/38/54/61/664385461.db2.gz DHMKVABDWXDTMV-LLVKDONJSA-N 1 0 381.361 2.614 20 0 GFADRO CC(F)(F)CCCS(=O)(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000914345198 664401735 /nfs/dbraw/zinc/40/17/35/664401735.db2.gz ZQAHKBLYRVSTEL-UHFFFAOYSA-N 1 0 382.517 2.576 20 0 GFADRO CS[C@H]1CN(S(=O)(=O)c2cscc2C(F)F)C[C@H]1[NH+]1CCCC1 ZINC000914391077 664405752 /nfs/dbraw/zinc/40/57/52/664405752.db2.gz QFWOVLRDKBAHIJ-NEPJUHHUSA-N 1 0 382.523 2.886 20 0 GFADRO CCCC1N=NC(=S)N1CC(=O)NC[C@@H](c1ccsc1)[NH+](CC)CC ZINC000915089337 664420885 /nfs/dbraw/zinc/42/08/85/664420885.db2.gz NNRHUASZNBYDQF-AWEZNQCLSA-N 1 0 381.571 2.780 20 0 GFADRO C[N@@H+]1CCC[C@@H](CCNS(=O)(=O)Cc2cccc(F)c2Br)C1 ZINC000916265819 664455257 /nfs/dbraw/zinc/45/52/57/664455257.db2.gz RKFMXVLUXMTQBZ-LBPRGKRZSA-N 1 0 393.322 2.740 20 0 GFADRO C[N@@H+]1CCC[C@@H](CCNS(=O)(=O)Cc2ccsc2Br)C1 ZINC000916266119 664455334 /nfs/dbraw/zinc/45/53/34/664455334.db2.gz XCROKHAMKPJWQJ-NSHDSACASA-N 1 0 381.361 2.662 20 0 GFADRO CC[NH+]1CCC(N2CCCN(S(=O)(=O)c3c(C)csc3C)CC2)CC1 ZINC000916582557 664465619 /nfs/dbraw/zinc/46/56/19/664465619.db2.gz PBTLYNWUKWJSIS-UHFFFAOYSA-N 1 0 385.599 2.546 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(S(=O)(=O)c3cccc(Br)c3Cl)C[C@@H]2C1 ZINC000916662524 664468791 /nfs/dbraw/zinc/46/87/91/664468791.db2.gz YNZAQNQYJSTFJE-MNOVXSKESA-N 1 0 393.734 2.675 20 0 GFADRO CC[NH+](CC)CCOC(=O)[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000917528470 664485465 /nfs/dbraw/zinc/48/54/65/664485465.db2.gz KKQHLEOYGDAFNJ-HNNXBMFYSA-N 1 0 383.286 2.687 20 0 GFADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)N1CCC[C@]1(C)Cc1cc(Cl)cs1 ZINC000917972786 664493706 /nfs/dbraw/zinc/49/37/06/664493706.db2.gz RHTYAKYRVRAPOG-MAUKXSAKSA-N 1 0 384.977 2.754 20 0 GFADRO CSc1nc2ccc(NC(=O)C(=O)N3CCC([NH+](C)C)CC3)cc2s1 ZINC000918434026 664499028 /nfs/dbraw/zinc/49/90/28/664499028.db2.gz VROQFMMDKXOTOF-UHFFFAOYSA-N 1 0 378.523 2.509 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)NC[C@H](C)[NH+]1CCCCC1 ZINC000918465293 664499501 /nfs/dbraw/zinc/49/95/01/664499501.db2.gz MKWZRKVAMUYUBJ-AWEZNQCLSA-N 1 0 396.329 2.995 20 0 GFADRO CC(C)(C[NH+]1CCOCC1)C(=O)NCCc1sccc1Br ZINC000918761843 664504635 /nfs/dbraw/zinc/50/46/35/664504635.db2.gz XFXBXQBZMJXBEM-UHFFFAOYSA-N 1 0 375.332 2.528 20 0 GFADRO Cc1cc(Br)ccc1CS(=O)(=O)N1CCc2[nH+]ccc(N)c2C1 ZINC000918906889 664506279 /nfs/dbraw/zinc/50/62/79/664506279.db2.gz SLTGCLDQVPVUST-UHFFFAOYSA-N 1 0 396.310 2.623 20 0 GFADRO CO[C@]1(CNC(=O)NC[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)CCSC1 ZINC000920283315 664524330 /nfs/dbraw/zinc/52/43/30/664524330.db2.gz ZBQGZWMWORMCKD-KYJSFNMBSA-N 1 0 383.583 2.952 20 0 GFADRO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NS(=O)(=O)c3c(C)csc3C)C2)[C@@H]1C(C)C ZINC000920308930 664524973 /nfs/dbraw/zinc/52/49/73/664524973.db2.gz GFWJETUEMJHNKD-LMSBXDPUSA-N 1 0 386.583 2.513 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)N2CCCC[C@@H]2c2ncc(Br)cn2)CC[N@@H+]1C ZINC000920404463 664525830 /nfs/dbraw/zinc/52/58/30/664525830.db2.gz OQINEWUWAKEMPI-VHDGCEQUSA-N 1 0 396.333 2.958 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CNC(=S)NC[C@H](O)c1ccccc1C(F)(F)F ZINC000920997339 664535164 /nfs/dbraw/zinc/53/51/64/664535164.db2.gz UWUGRJHMNLPTGH-DOMZBBRYSA-N 1 0 375.460 2.687 20 0 GFADRO CC[NH+](CC)C[C@@H](C)NC(=O)CN1C(=S)N=NC1c1ccc(Cl)cc1 ZINC000921078130 664536543 /nfs/dbraw/zinc/53/65/43/664536543.db2.gz NMVKNUPSWSHUKX-GFCCVEGCSA-N 1 0 381.933 2.734 20 0 GFADRO CC(C)[NH+](CCCNC(=O)N(C)Cc1ncc(Br)cn1)C(C)C ZINC000921151136 664538005 /nfs/dbraw/zinc/53/80/05/664538005.db2.gz ZNXKUJDQQZCIGO-UHFFFAOYSA-N 1 0 386.338 2.889 20 0 GFADRO CCC[N@H+](CC)CCNC(=O)N1CCC[C@H]1c1ncc(Br)cn1 ZINC000921181193 664538570 /nfs/dbraw/zinc/53/85/70/664538570.db2.gz FSQXQVOQURZCDE-AWEZNQCLSA-N 1 0 384.322 2.818 20 0 GFADRO CC(C)OCC[NH+]1CCC(NC(=O)N2CCS[C@@H](C(F)(F)F)C2)CC1 ZINC000921241694 664539555 /nfs/dbraw/zinc/53/95/55/664539555.db2.gz FUSNUCWNAWXAGF-CQSZACIVSA-N 1 0 383.480 2.565 20 0 GFADRO C[NH+](C)CC[C@@H](NS(=O)(=O)C[C@@]1(C)CC1(Cl)Cl)c1cccnc1 ZINC000921479200 664549988 /nfs/dbraw/zinc/54/99/88/664549988.db2.gz CWRQOPQCZYTDTQ-ZIAGYGMSSA-N 1 0 380.341 2.578 20 0 GFADRO Cc1nc(CNCc2cccc(OCC(=O)N(C)C)c2)sc1Br ZINC000921552560 664553047 /nfs/dbraw/zinc/55/30/47/664553047.db2.gz VRFVSJNXMYKXEH-UHFFFAOYSA-N 1 0 398.326 2.971 20 0 GFADRO O[C@](C[NH2+]Cc1cnc2n1CCOC2)(c1ccc(Cl)cc1)C(F)(F)F ZINC000921821982 664570828 /nfs/dbraw/zinc/57/08/28/664570828.db2.gz NCYWPEQKMUXOBD-OAHLLOKOSA-N 1 0 375.778 2.606 20 0 GFADRO O=S(=O)(NC[C@@H]1CC[N@@H+]1C1CCOCC1)c1ccc(Cl)c(Cl)c1 ZINC000921909499 664575696 /nfs/dbraw/zinc/57/56/96/664575696.db2.gz XLFCUIGQLSOBKZ-LBPRGKRZSA-N 1 0 379.309 2.525 20 0 GFADRO O=S(=O)(Cc1cc(Cl)sc1Cl)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000921910769 664575969 /nfs/dbraw/zinc/57/59/69/664575969.db2.gz FNDVTCPWAOLLBT-GFCCVEGCSA-N 1 0 399.365 2.728 20 0 GFADRO Cc1cc(C[NH2+][C@@H](CO)C2CCOCC2)c(C)cc1I ZINC000921983000 664580217 /nfs/dbraw/zinc/58/02/17/664580217.db2.gz KVSZSYZNJVNMPE-INIZCTEOSA-N 1 0 389.277 2.785 20 0 GFADRO CCn1c(C[NH2+][C@@H]2CCOC[C@H]2C)nc(Br)c1Br ZINC000922064455 664583615 /nfs/dbraw/zinc/58/36/15/664583615.db2.gz PEGNPCXECTZFTN-RKDXNWHRSA-N 1 0 381.112 2.943 20 0 GFADRO C[NH+]1CCC(Oc2ccc(CNCc3nc(Br)c[nH]3)cc2)CC1 ZINC000922116306 664586353 /nfs/dbraw/zinc/58/63/53/664586353.db2.gz RDGQECVIIVNIIM-UHFFFAOYSA-N 1 0 379.302 2.935 20 0 GFADRO Cn1nc2c(c1C[NH2+][C@H](c1cncc(Br)c1)C1CC1)COCC2 ZINC000922113016 664586382 /nfs/dbraw/zinc/58/63/82/664586382.db2.gz IOMQRMXPUAMUKC-KRWDZBQOSA-N 1 0 377.286 2.891 20 0 GFADRO O=S1(=O)CCC[C@@H](C[NH2+]Cc2cc3c(cc(F)cc3Br)[nH]2)C1 ZINC000922130235 664587031 /nfs/dbraw/zinc/58/70/31/664587031.db2.gz YRLVFRQLAZGEQN-JTQLQIEISA-N 1 0 389.290 2.984 20 0 GFADRO Cn1nccc1[C@@H]1[C@@H]([NH2+]Cc2ccc(Br)cc2F)CCC(=O)N1C ZINC000922406817 664600118 /nfs/dbraw/zinc/60/01/18/664600118.db2.gz MZTRECFNFBJBOQ-YOEHRIQHSA-N 1 0 395.276 2.773 20 0 GFADRO CC[C@H](C)[NH2+][C@H](CNC(=O)NCc1cn(C)nc1Br)c1ccco1 ZINC000922423654 664600936 /nfs/dbraw/zinc/60/09/36/664600936.db2.gz HFKZMVFIFCICQZ-WCQYABFASA-N 1 0 398.305 2.704 20 0 GFADRO CSC1(CNC(=O)NC[C@H]2CCC[C@@H](C(F)(F)F)O2)CC[NH+](C)CC1 ZINC000922530273 664605964 /nfs/dbraw/zinc/60/59/64/664605964.db2.gz WSJQLPULGDKOIQ-OLZOCXBDSA-N 1 0 383.480 2.613 20 0 GFADRO COc1cc(C[NH2+]C[C@@]2(OC)CCSC2)cc(OC)c1OCC(F)F ZINC000922571413 664607312 /nfs/dbraw/zinc/60/73/12/664607312.db2.gz SXGKFGZCJXZZNB-KRWDZBQOSA-N 1 0 377.453 2.959 20 0 GFADRO CCS(=O)(=O)c1ccccc1CC[NH2+]Cc1c(C(F)(F)F)cnn1C ZINC000922685115 664610773 /nfs/dbraw/zinc/61/07/73/664610773.db2.gz ZDHKJBKIUIDYGJ-UHFFFAOYSA-N 1 0 375.416 2.565 20 0 GFADRO FC(F)Oc1ccc(Br)cc1C[NH2+]C[C@H]1C[C@@H]2COC[C@@H]2O1 ZINC000922728214 664612222 /nfs/dbraw/zinc/61/22/22/664612222.db2.gz MOVYHJFTHYIANK-QKCSRTOESA-N 1 0 378.213 2.944 20 0 GFADRO COc1cc(Br)c(C[NH2+]CC(C)(C)CS(C)(=O)=O)cc1OC ZINC000922737104 664612818 /nfs/dbraw/zinc/61/28/18/664612818.db2.gz IQHRHTOXSDGCQW-UHFFFAOYSA-N 1 0 394.331 2.627 20 0 GFADRO CCn1ccnc1[C@@H]1OCC[C@H]1C[NH2+]CC1(n2cc(Br)cn2)CC1 ZINC000922801340 664614669 /nfs/dbraw/zinc/61/46/69/664614669.db2.gz DILKJSSDQBVREY-DZGCQCFKSA-N 1 0 394.317 2.719 20 0 GFADRO Cn1ncc(C(F)(F)F)c1C[NH2+]CC1(n2cc(Br)cn2)CC1 ZINC000922803301 664614839 /nfs/dbraw/zinc/61/48/39/664614839.db2.gz ZEAKXINUKMRBGP-UHFFFAOYSA-N 1 0 378.196 2.677 20 0 GFADRO Cn1cc(C[NH2+][C@@H]2CCSC3(CCC3)C2)c(I)n1 ZINC000922842667 664616360 /nfs/dbraw/zinc/61/63/60/664616360.db2.gz KIRSOXBEIGUURL-LLVKDONJSA-N 1 0 377.295 2.933 20 0 GFADRO O=C(c1cc(O)cc(Br)c1)N1CCC([NH2+]C2CCOCC2)CC1 ZINC000922850454 664616472 /nfs/dbraw/zinc/61/64/72/664616472.db2.gz PUDRRXCCTTUBBG-UHFFFAOYSA-N 1 0 383.286 2.528 20 0 GFADRO CC1(C)O[C@@H]2C[C@@H]([NH2+]Cc3cn(-c4ccccc4Br)nn3)C[C@@H]2O1 ZINC000922871388 664617251 /nfs/dbraw/zinc/61/72/51/664617251.db2.gz XIJGHTLWPGQJMU-XGHVKYEFSA-N 1 0 393.285 2.802 20 0 GFADRO O=C(c1c(F)cccc1Br)N1CCC([NH2+]C2CCOCC2)CC1 ZINC000922871669 664617255 /nfs/dbraw/zinc/61/72/55/664617255.db2.gz VAZCTVSPINEEPS-UHFFFAOYSA-N 1 0 385.277 2.961 20 0 GFADRO COc1cc(C[NH2+]C[C@@H]2CCN2C2CCOCC2)c(F)cc1Br ZINC000922956609 664619950 /nfs/dbraw/zinc/61/99/50/664619950.db2.gz XQLRWUNXZRURIG-AWEZNQCLSA-N 1 0 387.293 2.940 20 0 GFADRO Cn1ncc(I)c1C[NH2+]CC[C@H]1CCC2(CCC2)O1 ZINC000922967299 664620223 /nfs/dbraw/zinc/62/02/23/664620223.db2.gz IKMLTKZBYMBYDK-LLVKDONJSA-N 1 0 375.254 2.606 20 0 GFADRO Cn1nccc1[C@@H](O)C[NH2+]Cc1ccc(Br)c(Br)c1 ZINC000922975095 664620413 /nfs/dbraw/zinc/62/04/13/664620413.db2.gz VROSYJDUERURHW-ZDUSSCGKSA-N 1 0 389.091 2.768 20 0 GFADRO Cc1cc(Br)ccc1C(=O)N1CCC([NH2+][C@H]2C[C@H](CO)C2)CC1 ZINC000923004524 664620946 /nfs/dbraw/zinc/62/09/46/664620946.db2.gz GCYBEUCUBHGBIU-SAZUREKKSA-N 1 0 381.314 2.723 20 0 GFADRO O[C@H]1C[C@@H]([NH2+]Cc2nc(-c3cccc(Br)c3)c[nH]2)C12CCOCC2 ZINC000923018245 664621222 /nfs/dbraw/zinc/62/12/22/664621222.db2.gz DGTZIUWKSKQMIM-CVEARBPZSA-N 1 0 392.297 2.859 20 0 GFADRO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)Cc1ccccc1I ZINC000923274663 664627167 /nfs/dbraw/zinc/62/71/67/664627167.db2.gz PCUSFORTHZAQEP-UONOGXRCSA-N 1 0 384.261 2.529 20 0 GFADRO COC(=O)c1cc(Br)c(CN2CC[C@H]3CC[C@@H](C2)[NH2+]3)cc1OC ZINC000923292358 664627579 /nfs/dbraw/zinc/62/75/79/664627579.db2.gz JCXNUMBINCNCGJ-OLZOCXBDSA-N 1 0 383.286 2.571 20 0 GFADRO C[NH+](C)C[C@@H](NC(=O)NC1CC(CC(N)=O)C1)c1ccc(Cl)c(Cl)c1 ZINC000923450293 664630758 /nfs/dbraw/zinc/63/07/58/664630758.db2.gz UQUNJMFJUBUBGV-MBRGGSNBSA-N 1 0 387.311 2.549 20 0 GFADRO [NH3+][C@@H]1CN(S(=O)(=O)c2cscc2C(F)F)C[C@H]1c1cccc(F)c1 ZINC000923646516 664634990 /nfs/dbraw/zinc/63/49/90/664634990.db2.gz KYMFBZUMMOBJNG-WCQYABFASA-N 1 0 376.425 2.940 20 0 GFADRO [NH3+][C@H]1CCCO[C@@H]1C1CCN(S(=O)(=O)c2cscc2C(F)F)CC1 ZINC000923646519 664635037 /nfs/dbraw/zinc/63/50/37/664635037.db2.gz LAEAVSDCIQHYKT-GXTWGEPZSA-N 1 0 380.482 2.593 20 0 GFADRO Brc1cnc2[nH]cc(-c3noc([C@@H]4C[N@@H+]5CCC[C@@H]5CO4)n3)c2c1 ZINC000924098914 664647177 /nfs/dbraw/zinc/64/71/77/664647177.db2.gz ZTTSYPZXNSXVDR-MFKMUULPSA-N 1 0 390.241 2.911 20 0 GFADRO COc1ccc([C@H](C[NH2+][C@@H](C)C2(Br)CC2)N2CCOCC2)cc1 ZINC000924547733 664657039 /nfs/dbraw/zinc/65/70/39/664657039.db2.gz UCZYHRGCVRPTJS-YOEHRIQHSA-N 1 0 383.330 2.974 20 0 GFADRO CS(=O)(=O)N1CCC([NH2+][C@@H](c2ccc(Cl)cc2)c2ccccn2)CC1 ZINC000924626349 664659041 /nfs/dbraw/zinc/65/90/41/664659041.db2.gz NWUCBVJOWRPSSD-SFHVURJKSA-N 1 0 379.913 2.838 20 0 GFADRO C[C@H]([NH2+]Cc1csc(-c2ccccc2)n1)C1CCN(S(C)(=O)=O)CC1 ZINC000924826536 664662470 /nfs/dbraw/zinc/66/24/70/664662470.db2.gz KZFPDKKRYBDUSK-AWEZNQCLSA-N 1 0 379.551 2.960 20 0 GFADRO C[C@@H]([NH2+]CCc1ccc(Br)cc1)C1CCN(S(C)(=O)=O)CC1 ZINC000925088961 664666641 /nfs/dbraw/zinc/66/66/41/664666641.db2.gz MTAQTXNEEASMHM-CYBMUJFWSA-N 1 0 389.359 2.641 20 0 GFADRO CC(C)N1C(=O)N(C[C@H]2CC[N@@H+]2C)C(=O)[C@@H]1c1ccc(Br)cc1 ZINC000925195243 664668505 /nfs/dbraw/zinc/66/85/05/664668505.db2.gz HPOVGAOMQUCEOG-CABCVRRESA-N 1 0 380.286 2.867 20 0 GFADRO C[C@H]([NH2+]C[C@@H](c1ccc(Cl)cc1)N(C)C)C1CCN(S(C)(=O)=O)CC1 ZINC000925201154 664668615 /nfs/dbraw/zinc/66/86/15/664668615.db2.gz BEVJHECFSDYWKS-KSSFIOAISA-N 1 0 387.977 2.592 20 0 GFADRO C[C@@H]([NH2+]CCNS(=O)(=O)Cc1ccon1)c1csc(C(F)(F)F)c1 ZINC000925224414 664669143 /nfs/dbraw/zinc/66/91/43/664669143.db2.gz LICRPOAEGAMDJH-SECBINFHSA-N 1 0 383.417 2.525 20 0 GFADRO CC[N@@H+]1CCC[C@@H](N2C(=O)[C@@H](c3ccc(Br)s3)N(C)C2=O)C1 ZINC000925298787 664670146 /nfs/dbraw/zinc/67/01/46/664670146.db2.gz PSMWFLUYMXQVAZ-ZWNOBZJWSA-N 1 0 386.315 2.930 20 0 GFADRO CCc1nc2n(n1)C[C@H]([NH2+][C@H]1CCCc3ncc(Br)cc31)CC2 ZINC000925369104 664671140 /nfs/dbraw/zinc/67/11/40/664671140.db2.gz BFTWOCVPKVOAPF-DOMZBBRYSA-N 1 0 376.302 2.980 20 0 GFADRO O=C1[C@@H]([NH2+][C@H]2CCCc3ncc(Br)cc32)CCN1CC(F)(F)F ZINC000925390732 664671619 /nfs/dbraw/zinc/67/16/19/664671619.db2.gz SOGJPPPBFZIAPM-STQMWFEESA-N 1 0 392.219 2.974 20 0 GFADRO COCCC(=O)N1CCC([NH2+][C@H]2CCCc3ncc(Br)cc32)CC1 ZINC000925557078 664673018 /nfs/dbraw/zinc/67/30/18/664673018.db2.gz BFVVNIIMSJAEFM-KRWDZBQOSA-N 1 0 396.329 2.839 20 0 GFADRO C[C@H]([NH2+][C@H]1CCN(c2ccc(Cl)cc2)C1)C1CCN(S(C)(=O)=O)CC1 ZINC000925703548 664674068 /nfs/dbraw/zinc/67/40/68/664674068.db2.gz HCYPKHLHSZGSEV-YOEHRIQHSA-N 1 0 385.961 2.568 20 0 GFADRO CC(C)[C@@H]([NH2+]CC[C@H]1CNCCS1(=O)=O)c1ccc(C(F)(F)F)cc1 ZINC000925791391 664674869 /nfs/dbraw/zinc/67/48/69/664674869.db2.gz GEMBIVVCSRKHKY-JKSUJKDBSA-N 1 0 378.460 2.769 20 0 GFADRO O=S1(=O)CCNC[C@@H]1CC[NH2+][C@@H]1CCCc2cc(SC(F)F)ccc21 ZINC000925796418 664674903 /nfs/dbraw/zinc/67/49/03/664674903.db2.gz OLBQHFOHBPFBDG-GOEBONIOSA-N 1 0 390.521 2.745 20 0 GFADRO C[C@@H]([NH2+]CC[C@H]1CNCCS1(=O)=O)c1ccc(-c2ccccc2F)s1 ZINC000925795637 664674940 /nfs/dbraw/zinc/67/49/40/664674940.db2.gz IYINXVTUKQUEKX-KGLIPLIRSA-N 1 0 382.526 2.982 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)NCCCCCN1CC[NH2+]CC1 ZINC000925908698 664677292 /nfs/dbraw/zinc/67/72/92/664677292.db2.gz SUSGIRQRZSHFOS-UHFFFAOYSA-N 1 0 383.334 2.955 20 0 GFADRO Cc1ccc(NC(=O)NCCCCCN2CC[NH2+]CC2)c(Br)c1 ZINC000925905093 664677308 /nfs/dbraw/zinc/67/73/08/664677308.db2.gz UNYFYCZNCIHRLS-UHFFFAOYSA-N 1 0 383.334 2.955 20 0 GFADRO O=C(Nc1nnc(-c2ccsc2)s1)N[C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000925969661 664678331 /nfs/dbraw/zinc/67/83/31/664678331.db2.gz QCXCXTKBZSQFAJ-GFCCVEGCSA-N 1 0 379.511 2.547 20 0 GFADRO COc1ccc(NC(=O)N[C@@H]2C[NH2+]CC3(CCOCC3)C2)cc1Br ZINC000926039125 664679680 /nfs/dbraw/zinc/67/96/80/664679680.db2.gz YIBGLTFQDPNBSY-ZDUSSCGKSA-N 1 0 398.301 2.738 20 0 GFADRO Cc1cccc(NC(=O)NCCCCCN2CC[NH2+]CC2)c1Br ZINC000926093575 664681594 /nfs/dbraw/zinc/68/15/94/664681594.db2.gz SFXCITHABUPJFO-UHFFFAOYSA-N 1 0 383.334 2.955 20 0 GFADRO [NH3+]C1CCN(CCNC(=O)Nc2cccc(Cl)c2OCC(F)F)CC1 ZINC000926120082 664682198 /nfs/dbraw/zinc/68/21/98/664682198.db2.gz AHQJNPNNINZUGT-UHFFFAOYSA-N 1 0 376.835 2.529 20 0 GFADRO COC(=O)c1cc(NC(=O)NC[C@@H]2CC[C@H]([NH3+])C2)c(C)cc1Br ZINC000926117029 664682265 /nfs/dbraw/zinc/68/22/65/664682265.db2.gz VIUFZHGDNGXAMZ-MNOVXSKESA-N 1 0 384.274 2.793 20 0 GFADRO CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NC(=O)Cc1ccc(Br)cc1)C2 ZINC000926187273 664684400 /nfs/dbraw/zinc/68/44/00/664684400.db2.gz BENFPCYIDZQPMP-PSBWJHGTSA-N 1 0 395.341 2.588 20 0 GFADRO CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NC(=O)c1ccc(F)cc1Br)C2 ZINC000926187302 664684520 /nfs/dbraw/zinc/68/45/20/664684520.db2.gz DDCNGNWLXYUCDV-YFHUEUNASA-N 1 0 399.304 2.798 20 0 GFADRO Cc1c(NC(=O)N(C)C[C@H](O)C[NH3+])cc(Br)cc1C(F)(F)F ZINC000926220160 664684920 /nfs/dbraw/zinc/68/49/20/664684920.db2.gz CSNGGVOFPHAWRJ-SECBINFHSA-N 1 0 384.196 2.560 20 0 GFADRO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NC(=O)c3cc(Br)oc3C)C2)[C@@H]1C(C)C ZINC000926235501 664684923 /nfs/dbraw/zinc/68/49/23/664684923.db2.gz VUEPWYRHDLWWJK-DEICHXMPSA-N 1 0 399.329 2.950 20 0 GFADRO CC(C)[C@H](CC(F)(F)F)[NH2+][C@@H](C)c1ccc(S(=O)(=O)CC(N)=O)cc1 ZINC000926236380 664684925 /nfs/dbraw/zinc/68/49/25/664684925.db2.gz NVRBNWOBLSIAMN-FZMZJTMJSA-N 1 0 380.432 2.573 20 0 GFADRO CCON1CCC([NH2+][C@@H]2CCN(c3cccc(Br)c3)C2=O)CC1 ZINC000926301887 664687400 /nfs/dbraw/zinc/68/74/00/664687400.db2.gz GUSQBBBKCSNZCY-MRXNPFEDSA-N 1 0 382.302 2.560 20 0 GFADRO C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)C(=O)N1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000926306371 664687509 /nfs/dbraw/zinc/68/75/09/664687509.db2.gz GJBRMKVXAFZUGI-AGIUHOORSA-N 1 0 386.323 2.956 20 0 GFADRO C[C@@H]([NH2+][C@@H](CN(C)C)c1ccc(Cl)cc1)C1CCN(S(C)(=O)=O)CC1 ZINC000926375953 664688965 /nfs/dbraw/zinc/68/89/65/664688965.db2.gz ZMWIGMMXVCPYQN-KDOFPFPSSA-N 1 0 387.977 2.592 20 0 GFADRO Cc1ccoc1[C@@H](Cc1ccccc1Cl)[NH2+]C[C@]1(O)CCS(=O)(=O)C1 ZINC000926508238 664691009 /nfs/dbraw/zinc/69/10/09/664691009.db2.gz QCVIXCRROMHKGW-SJLPKXTDSA-N 1 0 383.897 2.664 20 0 GFADRO Cc1ccc([C@H](Cc2ccccc2Cl)[NH2+]C[C@@]2(O)CCS(=O)(=O)C2)o1 ZINC000926508043 664691013 /nfs/dbraw/zinc/69/10/13/664691013.db2.gz OLGZZJPWWLXFOT-WMZOPIPTSA-N 1 0 383.897 2.664 20 0 GFADRO COc1ccc(C[C@H](CO)C[NH2+][C@@H]2[C@@H](C)COC[C@H]2C)cc1Br ZINC000926541758 664691922 /nfs/dbraw/zinc/69/19/22/664691922.db2.gz QAYMHHNTMKMGBN-SCGCMHLBSA-N 1 0 386.330 2.869 20 0 GFADRO CN1CC[C@H]([NH2+]C[C@H](O)[C@@H]2CCCO2)C[C@H]1c1ccc(Br)cc1 ZINC000926748981 664696130 /nfs/dbraw/zinc/69/61/30/664696130.db2.gz JIFOSHZVQOLRTK-XSLAGTTESA-N 1 0 383.330 2.714 20 0 GFADRO CN1CCOC[C@H]1C[NH2+][C@H](c1ccc(Br)cc1)c1cccnc1 ZINC000926761261 664696328 /nfs/dbraw/zinc/69/63/28/664696328.db2.gz VFKRQQIPHCSFSQ-QZTJIDSGSA-N 1 0 376.298 2.854 20 0 GFADRO C[C@@H]([NH2+][C@@H](C)C1CCN(S(C)(=O)=O)CC1)c1ccc(C(F)(F)F)nc1 ZINC000926834132 664697546 /nfs/dbraw/zinc/69/75/46/664697546.db2.gz DZQDVDSHLANPKI-NWDGAFQWSA-N 1 0 379.448 2.811 20 0 GFADRO CSC1CCC(C[NH2+][C@H](C)c2ccc(S(=O)(=O)CC(N)=O)cc2)CC1 ZINC000926876373 664698223 /nfs/dbraw/zinc/69/82/23/664698223.db2.gz BUCJUADAEDMFGR-VQCLRJIVSA-N 1 0 384.567 2.518 20 0 GFADRO CN1CC[C@H]([NH2+]CC[C@H]2CNC(=O)C2)C[C@H]1c1ccc(Br)cc1 ZINC000926979004 664700982 /nfs/dbraw/zinc/70/09/82/664700982.db2.gz KBVSDPFTWCCVDO-COXVUDFISA-N 1 0 380.330 2.700 20 0 GFADRO Cc1cc([C@H](Cc2ccccc2Cl)[NH2+]C[C@@H](O)CS(C)(=O)=O)cs1 ZINC000927021174 664702145 /nfs/dbraw/zinc/70/21/45/664702145.db2.gz BBFYWZGUBKWEMU-WBVHZDCISA-N 1 0 387.954 2.989 20 0 GFADRO Cn1nnc2c1C[C@H]([NH2+][C@H]1CCc3ccc(I)cc31)CC2 ZINC000927143644 664705148 /nfs/dbraw/zinc/70/51/48/664705148.db2.gz OXSSRFFYQRVFMD-OCCSQVGLSA-N 1 0 394.260 2.554 20 0 GFADRO CC[C@@H]([NH2+]C[C@@H](O)c1ccnn1C)c1ccc(I)cc1 ZINC000927132314 664705157 /nfs/dbraw/zinc/70/51/57/664705157.db2.gz LIWXCARFJLEKOL-UKRRQHHQSA-N 1 0 385.249 2.799 20 0 GFADRO O=C(NC[C@@H]1CC[N@@H+]1C1CCOCC1)Nc1ccc(Br)cc1F ZINC000927645630 664713367 /nfs/dbraw/zinc/71/33/67/664713367.db2.gz NZXWHBGTLMUJPK-ZDUSSCGKSA-N 1 0 386.265 2.963 20 0 GFADRO [NH3+][C@H]1CN(C(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)CC[C@@H]1C(F)(F)F ZINC000927847412 664716657 /nfs/dbraw/zinc/71/66/57/664716657.db2.gz ITHHVLGKJJGMPI-QWRGUYRKSA-N 1 0 384.185 2.670 20 0 GFADRO C[NH2+]CCN(C(=O)C(=O)Nc1cc(Cl)c(Br)cc1F)C(C)C ZINC000927864407 664716895 /nfs/dbraw/zinc/71/68/95/664716895.db2.gz AHXWARHDXHPZHP-UHFFFAOYSA-N 1 0 394.672 2.637 20 0 GFADRO C[C@@H]1CN(C(=O)C(=O)Nc2cc(Cl)ccc2C(F)(F)F)CC[C@H]1C[NH3+] ZINC000927890329 664717412 /nfs/dbraw/zinc/71/74/12/664717412.db2.gz HEKUNJUETLLKOL-ZJUUUORDSA-N 1 0 377.794 2.741 20 0 GFADRO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(C(F)(F)F)cc2Cl)CC[C@@H]1C[NH3+] ZINC000927894681 664717480 /nfs/dbraw/zinc/71/74/80/664717480.db2.gz NLVNZFJKKKOPQW-NXEZZACHSA-N 1 0 377.794 2.741 20 0 GFADRO [NH3+][C@@H]1CC[C@H](CNC(=O)C(=O)Nc2ccc3cc(Br)ccc3c2)C1 ZINC000927927052 664717900 /nfs/dbraw/zinc/71/79/00/664717900.db2.gz MRBRLQUUBPAZCQ-XHDPSFHLSA-N 1 0 390.281 2.784 20 0 GFADRO O=C([C@@H]1CCn2cncc2C1)N1CCc2ccc(Br)c(F)c2C1 ZINC000928016814 664720253 /nfs/dbraw/zinc/72/02/53/664720253.db2.gz QZCUTOUEIUVUHL-GFCCVEGCSA-N 1 0 378.245 2.932 20 0 GFADRO O=C(N[C@@H]1CCC[N@@H+]2CCSC[C@H]12)C1=C(c2ccccc2)SCCO1 ZINC000928081343 664722029 /nfs/dbraw/zinc/72/20/29/664722029.db2.gz SCCWVAUTUONGDY-HZPDHXFCSA-N 1 0 376.547 2.815 20 0 GFADRO COc1ccc(Br)c(C(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@@H]23)c1 ZINC000928102248 664723190 /nfs/dbraw/zinc/72/31/90/664723190.db2.gz LRDICVOSEYYXQC-CABCVRRESA-N 1 0 385.327 2.767 20 0 GFADRO COc1ccccc1C[N@@H+](Cc1cccs1)CC1CN(S(C)(=O)=O)C1 ZINC000929230977 664748554 /nfs/dbraw/zinc/74/85/54/664748554.db2.gz FGJZGCVONUQVOA-UHFFFAOYSA-N 1 0 380.535 2.650 20 0 GFADRO CC(C)[N@@H+](Cc1cc(Br)ccc1F)C[C@@H](O)C[C@]1(O)CCOC1 ZINC000929384752 664751629 /nfs/dbraw/zinc/75/16/29/664751629.db2.gz ZSELGKAQASLGRT-DOTOQJQBSA-N 1 0 390.293 2.701 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(Br)cnc1Br ZINC000929462340 664752796 /nfs/dbraw/zinc/75/27/96/664752796.db2.gz JCILJCLGZNPEBK-JTQLQIEISA-N 1 0 391.107 2.821 20 0 GFADRO C[N@H+](CCCCOc1ccc(Br)cc1)C[C@@H]1CCS(=O)(=O)C1 ZINC000929699893 664756265 /nfs/dbraw/zinc/75/62/65/664756265.db2.gz VSGYCMYZOOWLGP-AWEZNQCLSA-N 1 0 390.343 2.975 20 0 GFADRO C[NH+](C)Cc1cccc(CNC(=O)C2(n3cc(Br)cn3)CC2)c1 ZINC000929761355 664757344 /nfs/dbraw/zinc/75/73/44/664757344.db2.gz QWBZGNGOJDWZCS-UHFFFAOYSA-N 1 0 377.286 2.513 20 0 GFADRO CN1CC[NH+](CCCCNC(=O)c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000930203757 664764428 /nfs/dbraw/zinc/76/44/28/664764428.db2.gz DVJRRKYWTYWZND-UHFFFAOYSA-N 1 0 378.826 2.511 20 0 GFADRO O=C(Nc1cc(F)ccc1Br)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000930351030 664767833 /nfs/dbraw/zinc/76/78/33/664767833.db2.gz MWEKIDWDUQWBSZ-CABCVRRESA-N 1 0 386.265 2.651 20 0 GFADRO O=C(NCC[NH+]1CCC(O)CC1)Nc1ccc(Cl)cc1Br ZINC000930404859 664769694 /nfs/dbraw/zinc/76/96/94/664769694.db2.gz DQIUUEZXCHEKQB-UHFFFAOYSA-N 1 0 376.682 2.681 20 0 GFADRO Cc1cc(NC(=O)NC[C@@H]2CC[N@@H+]2C2CCOCC2)cnc1Br ZINC000930779929 664778051 /nfs/dbraw/zinc/77/80/51/664778051.db2.gz RZRABVPULUWFFL-AWEZNQCLSA-N 1 0 383.290 2.527 20 0 GFADRO CCO[C@@H](CNC(=O)Nc1cnc(Cl)c(Br)c1C)C[NH+](C)C ZINC000930831308 664779266 /nfs/dbraw/zinc/77/92/66/664779266.db2.gz CWCBCBAFMAJJFC-JTQLQIEISA-N 1 0 393.713 2.894 20 0 GFADRO C[C@]12CC[N@H+](C[C@@H]3CCC4(COC4)O3)C[C@H]1C2(Br)Br ZINC000930926392 664781078 /nfs/dbraw/zinc/78/10/78/664781078.db2.gz UISJQLPDTOJOLP-TUAOUCFPSA-N 1 0 395.135 2.762 20 0 GFADRO COC[C@@H]([NH2+]Cc1cc(C(=O)OC)ccc1Br)C1CCOCC1 ZINC000930925940 664781104 /nfs/dbraw/zinc/78/11/04/664781104.db2.gz WYTFHPAMYFQDRK-MRXNPFEDSA-N 1 0 386.286 2.767 20 0 GFADRO Cn1cnc(/C=C\C(=O)N(CC[NH+](C)C)Cc2ccc(Br)cc2)c1 ZINC000930981486 664782425 /nfs/dbraw/zinc/78/24/25/664782425.db2.gz XFTMZPKVVIPLCD-HJWRWDBZSA-N 1 0 391.313 2.786 20 0 GFADRO C[NH+](C)CCn1ccc(NC(=O)c2cc(Br)cnc2C2CC2)n1 ZINC000931199384 664788309 /nfs/dbraw/zinc/78/83/09/664788309.db2.gz GJXTZODFZLZEFI-UHFFFAOYSA-N 1 0 378.274 2.732 20 0 GFADRO Cc1cc(Br)ccc1[C@@H]1CCC[N@@H+]1C[C@@H](O)C[C@]1(O)CCOC1 ZINC000931260819 664789671 /nfs/dbraw/zinc/78/96/71/664789671.db2.gz DCOBEGGHYYKQMV-RYQLBKOJSA-N 1 0 384.314 2.797 20 0 GFADRO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)CN1CCc2[nH+]ccc(N)c2C1 ZINC000931509147 664796912 /nfs/dbraw/zinc/79/69/12/664796912.db2.gz MIWCEOMLDCOTLJ-UHFFFAOYSA-N 1 0 379.291 2.987 20 0 GFADRO C[C@]1(Cc2cccc(Br)c2)CCC[N@@H+]1C[C@@H](O)C1(O)CCOCC1 ZINC000931747175 664804207 /nfs/dbraw/zinc/80/42/07/664804207.db2.gz NKFYRXCOYLMQBN-QZTJIDSGSA-N 1 0 398.341 2.749 20 0 GFADRO C[C@@]1([C@@H]2CCC[N@H+](C[C@@H](O)c3ccc(Br)cc3)C2)COC(=O)N1 ZINC000932016664 664808926 /nfs/dbraw/zinc/80/89/26/664808926.db2.gz OEIHJLMDMWSYTC-UNEWFSDZSA-N 1 0 383.286 2.693 20 0 GFADRO C[C@]1([C@H]2CCC[N@H+](C[C@H](O)c3ccccc3Br)C2)COC(=O)N1 ZINC000932021770 664809066 /nfs/dbraw/zinc/80/90/66/664809066.db2.gz OMJTUWKLRNJQHD-YLQAJVPDSA-N 1 0 383.286 2.693 20 0 GFADRO Cc1ccc(Br)c(C(=O)NCC2([NH+]3CCCC3)CCOCC2)n1 ZINC000932048938 664809331 /nfs/dbraw/zinc/80/93/31/664809331.db2.gz FBFWDYMIYSMTSE-UHFFFAOYSA-N 1 0 382.302 2.527 20 0 GFADRO COc1cc(Br)ccc1NC(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000932177991 664812036 /nfs/dbraw/zinc/81/20/36/664812036.db2.gz IAXVIRWXLINJBW-HUUCEWRRSA-N 1 0 398.301 2.521 20 0 GFADRO Cc1ccc(Br)c2[nH]c(C(=O)N[C@H](C)CN3CC[NH+](C)CC3)cc21 ZINC000932185558 664812357 /nfs/dbraw/zinc/81/23/57/664812357.db2.gz DYXCGTWYHXDUET-CYBMUJFWSA-N 1 0 393.329 2.605 20 0 GFADRO CN(C)S(=O)(=O)c1ccc(C[N@@H+]2CCC[C@@H](Cc3nccs3)C2)cc1 ZINC000932204984 664813011 /nfs/dbraw/zinc/81/30/11/664813011.db2.gz VDZPTVRIDYATMB-INIZCTEOSA-N 1 0 379.551 2.848 20 0 GFADRO Cc1ccc(Br)c(C(=O)NCC2([NH+]3CCCCC3)CCOCC2)n1 ZINC000932538096 664824894 /nfs/dbraw/zinc/82/48/94/664824894.db2.gz NVBVPODCJKKTSA-UHFFFAOYSA-N 1 0 396.329 2.917 20 0 GFADRO CN(C(=O)C[C@H]1C(=O)Nc2c1cccc2Br)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000932547922 664825550 /nfs/dbraw/zinc/82/55/50/664825550.db2.gz VFWGVEDOJMYAFV-TZMCWYRMSA-N 1 0 392.297 2.570 20 0 GFADRO COC(=O)c1cnc([C@@H]2CC[N@H+](C[C@@H](O)Cc3cccc(Cl)c3)C2)s1 ZINC000932674053 664831512 /nfs/dbraw/zinc/83/15/12/664831512.db2.gz VREUKFHFJRXPHQ-HIFRSBDPSA-N 1 0 380.897 2.976 20 0 GFADRO Cc1ncc(NC(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)c(C)c1Br ZINC000932763533 664835492 /nfs/dbraw/zinc/83/54/92/664835492.db2.gz GTMLDQIXKKJZRN-LSDHHAIUSA-N 1 0 397.317 2.524 20 0 GFADRO Cc1ncc(NC(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)c(C)c1Br ZINC000932769185 664836234 /nfs/dbraw/zinc/83/62/34/664836234.db2.gz VJCNKXWDKAOQMG-AWEZNQCLSA-N 1 0 397.317 2.836 20 0 GFADRO Cc1ncc(NC(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)c(C)c1Br ZINC000932781778 664837936 /nfs/dbraw/zinc/83/79/36/664837936.db2.gz MKFIXZDWXFUAOX-AWEZNQCLSA-N 1 0 397.317 2.647 20 0 GFADRO O[C@]1(c2ccc(Br)cc2)CCC[N@H+](CCN2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000932817243 664840206 /nfs/dbraw/zinc/84/02/06/664840206.db2.gz NALWVVGHWPHAHU-CEXWTWQISA-N 1 0 395.341 2.596 20 0 GFADRO C[NH+](C)CC[C@H](NC(=O)c1cc(Br)cn2ncnc12)C(C)(C)C ZINC000932986890 664846409 /nfs/dbraw/zinc/84/64/09/664846409.db2.gz NXQWSTCKZWVXTH-ZDUSSCGKSA-N 1 0 382.306 2.588 20 0 GFADRO C[C@@](CO)(Cc1ccc(Br)cc1)[NH2+]C[C@@H](O)COCc1ccco1 ZINC000933437890 664864026 /nfs/dbraw/zinc/86/40/26/664864026.db2.gz QXSPFQTUBYTNTF-AEFFLSMTSA-N 1 0 398.297 2.503 20 0 GFADRO O=C(CC[N@@H+]1CCOC[C@@H]1C[C@@H]1CCOC1)Nc1ccccc1Br ZINC000933664446 664871785 /nfs/dbraw/zinc/87/17/85/664871785.db2.gz CLMFIOMKWJGCLA-GJZGRUSLSA-N 1 0 397.313 2.905 20 0 GFADRO CCOC(=O)C1([C@H](C)[NH2+]Cc2cnc(Br)c(C)c2)CCOCC1 ZINC000933875583 664879620 /nfs/dbraw/zinc/87/96/20/664879620.db2.gz BIULTNPQFFKRPG-ZDUSSCGKSA-N 1 0 385.302 2.991 20 0 GFADRO CCc1ccc(CNC(=O)CN2CCCSC[C@H]2c2cnn(C)c2)s1 ZINC000933984056 664884510 /nfs/dbraw/zinc/88/45/10/664884510.db2.gz ZFHKRTRWXOSZKV-KRWDZBQOSA-N 1 0 378.567 2.840 20 0 GFADRO COCCOc1ccc(NC(=O)N[C@@H](C)CC[NH+](C)C)cc1Br ZINC000933989686 664885873 /nfs/dbraw/zinc/88/58/73/664885873.db2.gz WVCDQRIKEJZAFY-LBPRGKRZSA-N 1 0 388.306 2.936 20 0 GFADRO C[C@H](Cc1cccnc1)[NH2+]CCS(=O)(=O)c1ccc(Br)cc1 ZINC000934240371 664893204 /nfs/dbraw/zinc/89/32/04/664893204.db2.gz WDKAMOZUTNHFQX-CYBMUJFWSA-N 1 0 383.311 2.839 20 0 GFADRO O=C(CC[NH2+][C@H]1CCOC12CCOCC2)Nc1cccc(Br)c1 ZINC000934400010 664905498 /nfs/dbraw/zinc/90/54/98/664905498.db2.gz KXRJXRYIZWXOAR-HNNXBMFYSA-N 1 0 383.286 2.705 20 0 GFADRO Cn1c(C[NH2+][C@H]2CCOC23CCOCC3)nc2ccc(Br)cc21 ZINC000934405334 664905863 /nfs/dbraw/zinc/90/58/63/664905863.db2.gz ZAZZSFDYLFRKDU-HNNXBMFYSA-N 1 0 380.286 2.764 20 0 GFADRO C[C@H](NC(=O)C[NH2+][C@H]1CCOC12CCOCC2)c1ccc(Br)cc1 ZINC000934411199 664906402 /nfs/dbraw/zinc/90/64/02/664906402.db2.gz WDWXEEVTWXUNFZ-BBRMVZONSA-N 1 0 397.313 2.554 20 0 GFADRO CCO[C@@H](CNC(=O)NC1(C(F)(F)F)CCC(F)(F)CC1)C[NH+](C)C ZINC000934543925 664910958 /nfs/dbraw/zinc/91/09/58/664910958.db2.gz KUGZCBWZTVJNIO-NSHDSACASA-N 1 0 375.382 2.763 20 0 GFADRO Cc1c(Br)cc(F)cc1C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000934723051 664915401 /nfs/dbraw/zinc/91/54/01/664915401.db2.gz JALHQUIODBZZCA-CQSZACIVSA-N 1 0 385.277 2.880 20 0 GFADRO Cc1cccc([C@@H](O)C[NH2+][C@H](CO)c2ccccc2I)c1 ZINC000934827217 664925068 /nfs/dbraw/zinc/92/50/68/664925068.db2.gz SIPYCVNVIVBMGX-SJORKVTESA-N 1 0 397.256 2.956 20 0 GFADRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3cnn4cccc(Br)c34)CC[C@H]21 ZINC000934890019 664928375 /nfs/dbraw/zinc/92/83/75/664928375.db2.gz LCDWEBAYOHYHQI-SWLSCSKDSA-N 1 0 377.286 2.653 20 0 GFADRO C[NH+]1CCC(OCC(=O)NCC(C)(C)c2ccccc2Br)CC1 ZINC000935007366 664933443 /nfs/dbraw/zinc/93/34/43/664933443.db2.gz NCSHEKNKXNEEPX-UHFFFAOYSA-N 1 0 383.330 2.954 20 0 GFADRO C[NH+](C)CCCC1CCN(C(=O)C2(n3cc(Br)cn3)CC2)CC1 ZINC000935173712 664944453 /nfs/dbraw/zinc/94/44/53/664944453.db2.gz RZNNGSBYRQMKFV-UHFFFAOYSA-N 1 0 383.334 2.715 20 0 GFADRO C[N@@H+]1CCN(C(=O)c2cc3ccc(Br)cc3c(=O)o2)C(C)(C)C1 ZINC000935173143 664944537 /nfs/dbraw/zinc/94/45/37/664944537.db2.gz FZAPGIIPCHVICY-UHFFFAOYSA-N 1 0 379.254 2.722 20 0 GFADRO Cc1c(NC(=O)COC2CC[NH+](C)CC2)cnc(Cl)c1Br ZINC000935384131 664958053 /nfs/dbraw/zinc/95/80/53/664958053.db2.gz COPUHWXQKQVEDR-UHFFFAOYSA-N 1 0 376.682 2.855 20 0 GFADRO C[C@H]1CN(C(=O)c2cc(Br)cnc2C2CC2)CC[N@@H+]1CC(C)(C)O ZINC000935541514 664969150 /nfs/dbraw/zinc/96/91/50/664969150.db2.gz ANMBLIUSNNANTB-LBPRGKRZSA-N 1 0 396.329 2.639 20 0 GFADRO C[NH+](C)[C@@H]1CCCN(C(=O)[C@@](C)(O)c2ccc(F)c(Br)c2)CC1 ZINC000935650760 664977488 /nfs/dbraw/zinc/97/74/88/664977488.db2.gz YDSQJIAJTPNXLQ-DYVFJYSZSA-N 1 0 387.293 2.738 20 0 GFADRO CC(C)(C)[NH2+]CCC(=O)NCc1cc(C(F)(F)F)cc(S(C)(=O)=O)c1 ZINC000935871885 664993889 /nfs/dbraw/zinc/99/38/89/664993889.db2.gz XVLKIZXPTSEMJB-UHFFFAOYSA-N 1 0 380.432 2.503 20 0 GFADRO C[NH+]1CCC(OCC(=O)NCCc2c[nH]c3cccc(Br)c23)CC1 ZINC000936031558 665005062 /nfs/dbraw/zinc/00/50/62/665005062.db2.gz XYFGDYQYZGTLGL-UHFFFAOYSA-N 1 0 394.313 2.700 20 0 GFADRO CSC1(CNC(=O)c2cnn3cccc(Br)c23)CC[NH+](C)CC1 ZINC000936043021 665005612 /nfs/dbraw/zinc/00/56/12/665005612.db2.gz WHLBCSFPQGBASV-UHFFFAOYSA-N 1 0 397.342 2.654 20 0 GFADRO CC1([NH2+]Cc2ncc(Cl)s2)CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1 ZINC000940223319 665008032 /nfs/dbraw/zinc/00/80/32/665008032.db2.gz OANRYRLHUAUDHS-CRQFQMBKSA-N 1 0 381.929 2.691 20 0 GFADRO CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C)[C@H](NC(=O)c3sccc3Cl)C2)CC[N@@H+]1C ZINC000949535903 665010233 /nfs/dbraw/zinc/01/02/33/665010233.db2.gz QIVNJOSUPBZNAB-AYRXBEOTSA-N 1 0 383.945 2.709 20 0 GFADRO Cc1ccc(-c2ncc(C[NH2+][C@@H]3CCO[C@@]4(CCS(=O)(=O)C4)C3)s2)o1 ZINC000956938025 665012635 /nfs/dbraw/zinc/01/26/35/665012635.db2.gz KNVOHIYFOAYCDS-DYVFJYSZSA-N 1 0 382.507 2.537 20 0 GFADRO C[C@@H]1[C@H](C(=O)NC[C@@H]2CN(C(=O)c3ccsc3Cl)C[C@H]2C)CC[N@@H+]1C ZINC000994082865 665022708 /nfs/dbraw/zinc/02/27/08/665022708.db2.gz CJEYQMGZCPXHFV-AAVRWANBSA-N 1 0 383.945 2.566 20 0 GFADRO C[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1csc(Cl)c1 ZINC000998077491 665038753 /nfs/dbraw/zinc/03/87/53/665038753.db2.gz VDZMCHFQPWVGEM-CBBWQLFWSA-N 1 0 381.929 2.748 20 0 GFADRO C[NH+]1CCC(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2csc(Cl)c2)C3)CC1 ZINC001002613612 665055372 /nfs/dbraw/zinc/05/53/72/665055372.db2.gz ARIOCLQSDMCHRF-KFWWJZLASA-N 1 0 381.929 2.605 20 0 GFADRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2ccc(Br)cc2)C1)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001022746018 665074062 /nfs/dbraw/zinc/07/40/62/665074062.db2.gz AVXSDGQJUZWHFZ-JJTUDDRGSA-N 1 0 379.298 2.753 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000120506189 677396459 /nfs/dbraw/zinc/39/64/59/677396459.db2.gz LVHWTCYUOFSBSQ-OCCSQVGLSA-N 1 0 382.302 2.637 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000120600917 677397226 /nfs/dbraw/zinc/39/72/26/677397226.db2.gz BGFMBFGXSFJDIX-BBRMVZONSA-N 1 0 394.313 2.639 20 0 GFADRO Cn1ncc(Br)c1C[NH2+][C@H]1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000382450054 677406502 /nfs/dbraw/zinc/40/65/02/677406502.db2.gz DIZRALANSDZMHG-NEPJUHHUSA-N 1 0 387.322 2.966 20 0 GFADRO Cc1nc(Cl)ccc1S(=O)(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000385194996 677407066 /nfs/dbraw/zinc/40/70/66/677407066.db2.gz WOTUVBRYJOSCOT-GDBMZVCRSA-N 1 0 379.913 2.985 20 0 GFADRO COc1c(Br)cc(Cl)cc1S(=O)(=O)N[C@H](C)CCC[NH3+] ZINC000394283347 677411044 /nfs/dbraw/zinc/41/10/44/677411044.db2.gz UPQKQOXETQZZPT-MRVPVSSYSA-N 1 0 385.711 2.517 20 0 GFADRO CC(C)(C)OC(=O)N1CCO[C@H](C[NH2+]Cc2ccc(Br)cn2)C1 ZINC000397462475 677411565 /nfs/dbraw/zinc/41/15/65/677411565.db2.gz ODGULTBLZIKRBF-CQSZACIVSA-N 1 0 386.290 2.570 20 0 GFADRO C[C@H]1CCCC[N@@H+]1CCCNS(=O)(=O)c1c(Cl)nc2sccn21 ZINC000390396213 677673057 /nfs/dbraw/zinc/67/30/57/677673057.db2.gz GBWGXDVXYQDGOG-NSHDSACASA-N 1 0 376.935 2.592 20 0 GFADRO Cc1nc(Cl)ccc1S(=O)(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000389978979 677673081 /nfs/dbraw/zinc/67/30/81/677673081.db2.gz HJGGVPDIYNZPPY-XJKSGUPXSA-N 1 0 379.913 2.842 20 0 GFADRO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)C[NH2+][C@H]1C[C@H](O)C12CCC2 ZINC000595784338 677674180 /nfs/dbraw/zinc/67/41/80/677674180.db2.gz UTRDCKNGSQEGQG-STQMWFEESA-N 1 0 387.263 2.612 20 0 GFADRO COC(=O)c1cc(NC(=O)N(C)CC2C[NH+](C)C2)c(C)cc1Br ZINC000596902693 677674313 /nfs/dbraw/zinc/67/43/13/677674313.db2.gz HDPVPWSSJHUCCW-UHFFFAOYSA-N 1 0 384.274 2.569 20 0 GFADRO FC(F)(c1cnc(Cl)c(-c2ccncc2)c1)N1CC[C@@H]2[NH2+]CCO[C@@H]2C1 ZINC001164388314 718825253 /nfs/dbraw/zinc/82/52/53/718825253.db2.gz ADKKUAULBQBHAH-JKSUJKDBSA-N 1 0 380.826 2.909 20 0 GFADRO OC[C@]12C[NH2+]C[C@H]1CN(C(F)(F)Oc1ccc(-c3ccnc(Cl)c3)cc1)C2 ZINC001164409505 718852124 /nfs/dbraw/zinc/85/21/24/718852124.db2.gz VKUOKEZFRVHRPH-MAUKXSAKSA-N 1 0 395.837 2.845 20 0 GFADRO Fc1cccc2c(Cl)nc(C(F)(F)N3CCO[C@H]4C[NH2+]CC[C@H]4C3)nc12 ZINC001164403414 718862104 /nfs/dbraw/zinc/86/21/04/718862104.db2.gz NPILTECBFDBHRC-GWCFXTLKSA-N 1 0 386.805 2.782 20 0 GFADRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@@H]2N1C(F)(F)c1cc(Cl)cnc1Cl ZINC001164613953 719013166 /nfs/dbraw/zinc/01/31/66/719013166.db2.gz AOTMFQJBZUXVID-UWJYBYFXSA-N 1 0 380.222 2.663 20 0 GFADRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@@H]2N1C(F)(F)c1nc2ccccc2nc1Cl ZINC001164618748 719016396 /nfs/dbraw/zinc/01/63/96/719016396.db2.gz STPPCHOQLSRIFR-BPNCWPANSA-N 1 0 396.825 2.558 20 0 GFADRO COC(=O)c1cc2c(N3CCC[C@H]4C[N@H+](Cc5ccccc5)C[C@H]43)[nH]cnc-2n1 ZINC001164628487 719061348 /nfs/dbraw/zinc/06/13/48/719061348.db2.gz RZCCWQCCLHQQFI-QFBILLFUSA-N 1 0 391.475 2.797 20 0 GFADRO CCOC(=O)Cc1cnc(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)nc1 ZINC001164623578 719082520 /nfs/dbraw/zinc/08/25/20/719082520.db2.gz JUKCDHNVKVWVQJ-VQTJNVASSA-N 1 0 380.492 2.683 20 0 GFADRO CCOC(=O)Cc1ccc(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)nn1 ZINC001164629002 719089160 /nfs/dbraw/zinc/08/91/60/719089160.db2.gz PSPAWFHHRSAGBT-ICSRJNTNSA-N 1 0 380.492 2.683 20 0 GFADRO COC(=O)c1cc(Cl)ncc1C(F)(F)N1C[C@H](C2([NH3+])CC2)[C@H](CF)C1 ZINC001164625122 719118287 /nfs/dbraw/zinc/11/82/87/719118287.db2.gz GQCAZTUQZZBUNZ-SKDRFNHKSA-N 1 0 377.794 2.580 20 0 GFADRO CC(C)C[NH+]1CCN(c2ccc(N3CCN(c4ccccc4)CC3)nn2)CC1 ZINC001164657547 719337371 /nfs/dbraw/zinc/33/73/71/719337371.db2.gz QXJQRYDAWSVCDU-UHFFFAOYSA-N 1 0 380.540 2.581 20 0 GFADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3cnccn3)CC2)c2ccccc21 ZINC001164685409 719653629 /nfs/dbraw/zinc/65/36/29/719653629.db2.gz ZZTVGUVJJMWRHA-GOSISDBHSA-N 1 0 393.535 2.570 20 0 GFADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1cc(-c3ccnc(Cl)c3)ccn1)CC2 ZINC001164685282 719706828 /nfs/dbraw/zinc/70/68/28/719706828.db2.gz UKUQIPSKIMOLIS-UHFFFAOYSA-N 1 0 399.926 2.978 20 0 GFADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1nc(CC(C)C)nc(Cl)c1C)CC2 ZINC001164690148 719752065 /nfs/dbraw/zinc/75/20/65/719752065.db2.gz UODUAPPDQLMGFF-UHFFFAOYSA-N 1 0 393.963 2.818 20 0 GFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1cc(Cl)ncn1)C2 ZINC001164810427 720066577 /nfs/dbraw/zinc/06/65/77/720066577.db2.gz LZDJQWNMSQSXCF-WMLDXEAASA-N 1 0 386.874 2.860 20 0 GFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ccc(N3CCCCC3)nn1)C2 ZINC001164812229 720069561 /nfs/dbraw/zinc/06/95/61/720069561.db2.gz PYDCDBMTOCYCAR-KNQAVFIVSA-N 1 0 385.556 2.652 20 0 GFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(Cl)ccc1C(=O)OC)C2 ZINC001164814812 720070257 /nfs/dbraw/zinc/07/02/57/720070257.db2.gz WVNPSYRKGFAGRO-YWZLYKJASA-N 1 0 393.915 2.706 20 0 GFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(C)c(F)cc1C(=O)OC)C2 ZINC001164815495 720116029 /nfs/dbraw/zinc/11/60/29/720116029.db2.gz VZMZDXAROCMPDD-IERDGZPVSA-N 1 0 391.487 2.500 20 0 GFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cc(C(=O)N3CCCC3)ccn1)C2 ZINC001164816519 720146215 /nfs/dbraw/zinc/14/62/15/720146215.db2.gz ZUMALRDSWGLDMR-OFNKIYASSA-N 1 0 398.551 2.502 20 0 GFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nccc(-c3cccnc3F)n1)C2 ZINC001164815906 720146553 /nfs/dbraw/zinc/14/65/53/720146553.db2.gz XICMPOZDHYGWSN-JTSKRJEESA-N 1 0 397.498 2.862 20 0 GFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nccc(-c3cccnc3F)n1)C2 ZINC001164815908 720146817 /nfs/dbraw/zinc/14/68/17/720146817.db2.gz XICMPOZDHYGWSN-VGSWGCGISA-N 1 0 397.498 2.862 20 0 GFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc3ccc(Cl)nc3[nH]1)C2 ZINC001164819471 720152705 /nfs/dbraw/zinc/15/27/05/720152705.db2.gz XGVJJWVAMNEYEU-KUHUBIRLSA-N 1 0 375.904 2.796 20 0 GFADRO Cc1cc(Cl)cc(N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164827785 720293046 /nfs/dbraw/zinc/29/30/46/720293046.db2.gz YBFHQVMWKZLARS-ROUUACIJSA-N 1 0 376.932 2.955 20 0 GFADRO CCc1ncnc(Cl)c1N1CC[C@@H]2[C@@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164821315 720297622 /nfs/dbraw/zinc/29/76/22/720297622.db2.gz JYKYNMUKFNYVMN-DLBZAZTESA-N 1 0 391.947 2.604 20 0 GFADRO COc1cc(Cl)nc(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c1 ZINC001164823842 720314199 /nfs/dbraw/zinc/31/41/99/720314199.db2.gz QGRCSAICBSGNKA-DLBZAZTESA-N 1 0 392.931 2.655 20 0 GFADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2ccc3ncccc3n2)CC1 ZINC001164819213 720314209 /nfs/dbraw/zinc/31/42/09/720314209.db2.gz CYDBENWBVGYGJV-PMACEKPBSA-N 1 0 379.508 2.541 20 0 GFADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2ncnc3cccc(F)c32)CC1 ZINC001164825392 720322293 /nfs/dbraw/zinc/32/22/93/720322293.db2.gz DLTBGTZZODRAIE-RTBURBONSA-N 1 0 397.498 2.680 20 0 GFADRO CCOC(=O)c1cnc(Cl)nc1N1CC[C@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164726048 720333125 /nfs/dbraw/zinc/33/31/25/720333125.db2.gz PJRUOXYDQNVPMO-JKSUJKDBSA-N 1 0 387.871 2.555 20 0 GFADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2ccc(-c3ccco3)nn2)CC1 ZINC001164821695 720344104 /nfs/dbraw/zinc/34/41/04/720344104.db2.gz BJLIGPCYRGSQRP-MOPGFXCFSA-N 1 0 395.507 2.648 20 0 GFADRO COC(=O)c1ccc2ncnc(N3CC[C@@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)c2c1 ZINC001164725170 720347596 /nfs/dbraw/zinc/34/75/96/720347596.db2.gz MBHGNKFZGSLGMA-WOJBJXKFSA-N 1 0 389.459 2.665 20 0 GFADRO Cc1nc(CN2CCN(C)C3(CCN(c4ccc(C)c(C)[nH+]4)CC3)C2=O)cs1 ZINC001164824817 720365842 /nfs/dbraw/zinc/36/58/42/720365842.db2.gz MUSZVSIKMSYPDI-UHFFFAOYSA-N 1 0 399.564 2.777 20 0 GFADRO COC(=O)c1ccc(C)nc1N1CC[C@@H]2[C@H](C[C@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164837861 720514991 /nfs/dbraw/zinc/51/49/91/720514991.db2.gz QBCDMEVDPVKOPM-QWFCFKBJSA-N 1 0 397.523 2.751 20 0 GFADRO Cc1nc2sc3c(c2c(N2Cc4nccn4C[C@H](C[NH+](C)C)C2)n1)CCC3 ZINC001164734926 720523573 /nfs/dbraw/zinc/52/35/73/720523573.db2.gz TXKMWDAAVKHVMB-AWEZNQCLSA-N 1 0 382.537 2.883 20 0 GFADRO COCc1cc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)nc(C)n1 ZINC001164843008 720532886 /nfs/dbraw/zinc/53/28/86/720532886.db2.gz ZMFBRKGOCPNLDN-YSIASYRMSA-N 1 0 384.528 2.506 20 0 GFADRO COC(=O)c1ccc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)nc1C ZINC001164838968 720533975 /nfs/dbraw/zinc/53/39/75/720533975.db2.gz PGUPMLIDHWTMGA-NLWGTHIKSA-N 1 0 397.523 2.751 20 0 GFADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3nccnc3OC3CCC3)CC[C@@H]21 ZINC001164839468 720632552 /nfs/dbraw/zinc/63/25/52/720632552.db2.gz NJYAOODIYMTQGJ-HBFSDRIKSA-N 1 0 396.539 2.982 20 0 GFADRO CN(C)c1cncc(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC001164838126 720667177 /nfs/dbraw/zinc/66/71/77/720667177.db2.gz FXUAJBLUFDUNMZ-LJQANCHMSA-N 1 0 381.524 2.803 20 0 GFADRO CSc1cc(Cl)ncc1N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164741468 720676916 /nfs/dbraw/zinc/67/69/16/720676916.db2.gz TXYXWPNKVHXTDI-OLZOCXBDSA-N 1 0 377.901 2.589 20 0 GFADRO Cc1nc2nc(N3CCC4(C[C@@H]([N@H+](C)Cc5ccccc5)CO4)CC3)ncc2[nH]1 ZINC001164837094 720703757 /nfs/dbraw/zinc/70/37/57/720703757.db2.gz DJJUJNFKKMDTFB-GOSISDBHSA-N 1 0 392.507 2.873 20 0 GFADRO FC(F)(c1cnc(Cl)nc1)N1CCCn2cnc(C[NH2+]C3CCC3)c2C1 ZINC001164838652 720736571 /nfs/dbraw/zinc/73/65/71/720736571.db2.gz VKUCRRIHDGKLHA-UHFFFAOYSA-N 1 0 382.846 2.924 20 0 GFADRO C[NH+]1CCN(c2cccc(N3CC[C@H]4[C@@H]3CCC(=O)N4c3ccccc3)n2)CC1 ZINC001164844514 720765209 /nfs/dbraw/zinc/76/52/09/720765209.db2.gz CFPPHSFMOPVLFJ-PMACEKPBSA-N 1 0 391.519 2.608 20 0 GFADRO c1cc2c(ccnc2N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)o1 ZINC001164742305 720809417 /nfs/dbraw/zinc/80/94/17/720809417.db2.gz CUBISSFFHHOBLA-ZIFCJYIRSA-N 1 0 378.480 2.799 20 0 GFADRO CC(C)(C)c1ccnc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164741913 720823973 /nfs/dbraw/zinc/82/39/73/720823973.db2.gz PBXGIPGZFPRYAP-GUDVDZBRSA-N 1 0 395.555 2.745 20 0 GFADRO COCC[N@@H+]1CCO[C@@H]2CN(c3nc(Cl)nc4sc(C)cc43)CC[C@H]2C1 ZINC001164856530 720846839 /nfs/dbraw/zinc/84/68/39/720846839.db2.gz WTRDHPADTZSHTC-DZGCQCFKSA-N 1 0 396.944 2.827 20 0 GFADRO CC(C)(C)c1ccc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nn1 ZINC001164744567 720848568 /nfs/dbraw/zinc/84/85/68/720848568.db2.gz KQTNWBQLOZWJII-GBESFXJTSA-N 1 0 395.555 2.745 20 0 GFADRO COCC[N@@H+]1CCO[C@H]2CN(c3ncnc4c3ccn4C3CCCC3)CC[C@H]2C1 ZINC001164859548 720858908 /nfs/dbraw/zinc/85/89/08/720858908.db2.gz UHNVTHDMNKITEG-PXNSSMCTSA-N 1 0 399.539 2.720 20 0 GFADRO Cc1cncc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164754061 720880748 /nfs/dbraw/zinc/88/07/48/720880748.db2.gz QUYONDVCKSMVAU-GMAHTHKFSA-N 1 0 393.535 2.935 20 0 GFADRO COc1cnc2c(c1)ncnc2N1CCn2c(C[N@H+](C)C(C)C)cnc2[C@H]1C ZINC001164860363 720989049 /nfs/dbraw/zinc/98/90/49/720989049.db2.gz MYKHNBWAPHAKNM-CQSZACIVSA-N 1 0 381.484 2.651 20 0 GFADRO Cc1nc2sccc2c(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164869405 721041010 /nfs/dbraw/zinc/04/10/10/721041010.db2.gz SRRKAQGRTCKDAD-SJORKVTESA-N 1 0 381.505 2.874 20 0 GFADRO COc1nc2ccccc2nc1N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164866824 721064965 /nfs/dbraw/zinc/06/49/65/721064965.db2.gz FZCRHWQNDCSBEN-ROUUACIJSA-N 1 0 391.475 2.513 20 0 GFADRO Clc1nnc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)c2c1CCCC2 ZINC001164867399 721081130 /nfs/dbraw/zinc/08/11/30/721081130.db2.gz YIXAWNSDKLBOKR-DLBZAZTESA-N 1 0 399.926 2.884 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4ncnc5c(Cl)cccc54)C[C@H]3C2)cn1 ZINC001164762129 721092374 /nfs/dbraw/zinc/09/23/74/721092374.db2.gz CNYZDUBJFAKZAM-JKSUJKDBSA-N 1 0 382.899 2.975 20 0 GFADRO COc1cccc2ccc(N3C[C@@H]4CC[N@H+](Cc5cnn(C)c5)C[C@H]4C3)nc21 ZINC001164773202 721095684 /nfs/dbraw/zinc/09/56/84/721095684.db2.gz XCIJZPUCEHFNAL-OALUTQOASA-N 1 0 377.492 2.935 20 0 GFADRO COC(OC)c1cc(C)cnc1N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164879504 721122718 /nfs/dbraw/zinc/12/27/18/721122718.db2.gz SVBUHUPPTOBCSI-RBUKOAKNSA-N 1 0 398.507 2.556 20 0 GFADRO CCCSc1cncc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164881040 721158423 /nfs/dbraw/zinc/15/84/23/721158423.db2.gz YVLSZBHMNQRSGZ-QZTJIDSGSA-N 1 0 385.537 2.853 20 0 GFADRO Cc1cc2ccncc2nc1N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164877043 721171243 /nfs/dbraw/zinc/17/12/43/721171243.db2.gz OFPNQHARIVKOSE-VQTJNVASSA-N 1 0 375.476 2.813 20 0 GFADRO Cc1cccc2c1ccnc2N1CCC2(CC1)COCC[N@@H+](CC(=O)N(C)C)C2 ZINC001164870310 721274721 /nfs/dbraw/zinc/27/47/21/721274721.db2.gz VOYXSXIZLPGZCQ-UHFFFAOYSA-N 1 0 396.535 2.550 20 0 GFADRO COc1cc[nH+]c(N2CCC[C@@]3(C2)COCCN(Cc2c(C)noc2C)C3)c1 ZINC001164777672 721334131 /nfs/dbraw/zinc/33/41/31/721334131.db2.gz PDBHPOXNUKDBGY-OAQYLSRUSA-N 1 0 386.496 2.814 20 0 GFADRO Cc1ccc(Cl)c(N2CC[C@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)n1 ZINC001164887160 721393317 /nfs/dbraw/zinc/39/33/17/721393317.db2.gz HFMHJGPWAIHPMD-PXNSSMCTSA-N 1 0 378.948 2.809 20 0 GFADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4nccc(C(C)(C)C)n4)C3)O2)CC1 ZINC001164892598 721404401 /nfs/dbraw/zinc/40/44/01/721404401.db2.gz YYWKJKARRNJKPR-AVRDEDQJSA-N 1 0 387.572 2.540 20 0 GFADRO Cc1cc2ccncc2nc1N1CC[C@]2(C1)CCC[C@@H](C[NH+]1CCN(C)CC1)O2 ZINC001164895827 721444398 /nfs/dbraw/zinc/44/43/98/721444398.db2.gz QBFJTBZQHXKTIL-REWPJTCUSA-N 1 0 395.551 2.704 20 0 GFADRO CCNC(=O)c1ccc(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)nn1 ZINC001164795133 721502087 /nfs/dbraw/zinc/50/20/87/721502087.db2.gz DUOJQXQRZDBELQ-UHFFFAOYSA-N 1 0 394.523 2.502 20 0 GFADRO COC(=O)c1cc(C)nc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)c1 ZINC001164896861 721511699 /nfs/dbraw/zinc/51/16/99/721511699.db2.gz BOVNKMHQVPNQPD-PKOBYXMFSA-N 1 0 385.439 2.658 20 0 GFADRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2ccc4cccc(Cl)c4n2)CC3)CC1 ZINC001164794003 721511814 /nfs/dbraw/zinc/51/18/14/721511814.db2.gz AQWXARQZOSNSSE-UHFFFAOYSA-N 1 0 396.926 2.852 20 0 GFADRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2ccc4ccc(Cl)cc4n2)CC3)CC1 ZINC001164797153 721515789 /nfs/dbraw/zinc/51/57/89/721515789.db2.gz HKMSBRGNVDNQKE-UHFFFAOYSA-N 1 0 396.926 2.852 20 0 GFADRO COC(=O)c1ccc(C)nc1N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164901402 721516580 /nfs/dbraw/zinc/51/65/80/721516580.db2.gz WZMNNJPOJKQAKZ-SJLPKXTDSA-N 1 0 385.439 2.658 20 0 GFADRO CCOC(=O)Cc1cccnc1N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164900150 721518126 /nfs/dbraw/zinc/51/81/26/721518126.db2.gz OPEBOQTUCFXRKL-QUCCMNQESA-N 1 0 399.466 2.668 20 0 GFADRO Cc1cc2c(ncnc2N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)[nH]1 ZINC001164800628 721544198 /nfs/dbraw/zinc/54/41/98/721544198.db2.gz CTUZCFVBSRMBET-FHWLQOOXSA-N 1 0 378.480 2.530 20 0 GFADRO CC(C)n1cnc2cnc(N3CC[N@@H+]4C[C@@H](Oc5cccc(F)c5)C[C@@H]4C3)nc21 ZINC001164907184 721554645 /nfs/dbraw/zinc/55/46/45/721554645.db2.gz MNOUQHXBOXSUKI-AEFFLSMTSA-N 1 0 396.470 2.888 20 0 GFADRO Cc1cnc2c(ccnc2N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)n1 ZINC001164909207 721561105 /nfs/dbraw/zinc/56/11/05/721561105.db2.gz SXYGWKDFHBHOCG-AEFFLSMTSA-N 1 0 379.439 2.814 20 0 GFADRO Cc1cc2ncnc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@H]43)c2[nH]1 ZINC001164809884 721563010 /nfs/dbraw/zinc/56/30/10/721563010.db2.gz XTHIFNATEFIDEE-WSTZPKSXSA-N 1 0 378.480 2.530 20 0 GFADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc3ccc(Cl)nc3[nH]2)[C@H]2CCCO[C@@H]12 ZINC001164806277 721571600 /nfs/dbraw/zinc/57/16/00/721571600.db2.gz PQKARDQEEGYJCR-LZLYRXPVSA-N 1 0 398.898 2.875 20 0 GFADRO COc1ccnc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)n1 ZINC001164903715 721585084 /nfs/dbraw/zinc/58/50/84/721585084.db2.gz BUJQFCKDLZJHKU-GOSISDBHSA-N 1 0 375.423 2.618 20 0 GFADRO Cc1nc2nc(N3CCC(F)(F)[C@]4(CC[N@H+](Cc5ccccn5)C4)C3)ncc2[nH]1 ZINC001164906641 721715071 /nfs/dbraw/zinc/71/50/71/721715071.db2.gz NMUVIZHULOBARA-IBGZPJMESA-N 1 0 399.449 2.746 20 0 GFADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2ccc(-c3ccsc3)nn2)CC1 ZINC001165012386 721749109 /nfs/dbraw/zinc/74/91/09/721749109.db2.gz HBFIKPGRDOJUEP-UHFFFAOYSA-N 1 0 385.537 2.728 20 0 GFADRO C[NH+](C)Cc1ccnc(N2CCC(F)(F)[C@@]3(CCN(c4cnccn4)C3)C2)c1 ZINC001164914596 721803037 /nfs/dbraw/zinc/80/30/37/721803037.db2.gz DLSGIUSSROLXCY-IBGZPJMESA-N 1 0 388.466 2.675 20 0 GFADRO COc1cnc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)nc1OC ZINC001165028301 721811398 /nfs/dbraw/zinc/81/13/98/721811398.db2.gz XILFWYWYTCZMRD-RYQLBKOJSA-N 1 0 383.496 2.626 20 0 GFADRO COc1cnc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)nc1OC ZINC001165028297 721811659 /nfs/dbraw/zinc/81/16/59/721811659.db2.gz XILFWYWYTCZMRD-CGTJXYLNSA-N 1 0 383.496 2.626 20 0 GFADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(Cl)ccc3C(N)=O)C[C@@H]21 ZINC001165024127 721813326 /nfs/dbraw/zinc/81/33/26/721813326.db2.gz ISYSYUWDJWPHDK-JCGIZDLHSA-N 1 0 399.926 2.966 20 0 GFADRO CCNC(=O)c1ccc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)nc1 ZINC001165027076 721823227 /nfs/dbraw/zinc/82/32/27/721823227.db2.gz RTKKJOQFXORNDH-CEWLAPEOSA-N 1 0 393.535 2.963 20 0 GFADRO CCOC(=O)c1cc2ccccc2nc1N1CC[C@H]2[C@H]1CCN2CC[NH+](C)C ZINC001164927022 721871091 /nfs/dbraw/zinc/87/10/91/721871091.db2.gz UHWPDPJABVFEPL-VQTJNVASSA-N 1 0 382.508 2.626 20 0 GFADRO CN(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCN2c1nc(C(F)F)nc2ccc(F)cc21 ZINC001164934431 721886605 /nfs/dbraw/zinc/88/66/05/721886605.db2.gz RRAMNZYULSMJFN-HZPDHXFCSA-N 1 0 379.430 2.921 20 0 GFADRO Cc1cc(N2CC[C@H]3[C@@H]2CC[N@H+]3CCN(C)C)nc(-c2ccc(Cl)nc2)n1 ZINC001164933528 721886767 /nfs/dbraw/zinc/88/67/67/721886767.db2.gz MOPVAHUQMYSSBU-IRXDYDNUSA-N 1 0 386.931 2.715 20 0 GFADRO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2c1ncc(C(=O)OC(C)(C)C)cc1Cl ZINC001164931948 721886882 /nfs/dbraw/zinc/88/68/82/721886882.db2.gz GWTLJIPSKUORBS-DLBZAZTESA-N 1 0 394.947 2.905 20 0 GFADRO CCOC(=O)C1CCN(c2ccc(N3CCC([NH+](CC)CC)CC3)nn2)CC1 ZINC001165052824 722004201 /nfs/dbraw/zinc/00/42/01/722004201.db2.gz BRHIVFWXIQGOPJ-UHFFFAOYSA-N 1 0 389.544 2.567 20 0 GFADRO CC[NH+](CC)C1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cn2)CC1 ZINC001165053658 722005767 /nfs/dbraw/zinc/00/57/67/722005767.db2.gz RFIWXRLPKZFOOB-UHFFFAOYSA-N 1 0 380.558 2.567 20 0 GFADRO C[C@H]1CCCN(C(=O)c2ccc(N3CC[NH+](CCc4ccccn4)CC3)nc2)C1 ZINC001165055198 722016917 /nfs/dbraw/zinc/01/69/17/722016917.db2.gz LSZVLUUZOCQISP-IBGZPJMESA-N 1 0 393.535 2.713 20 0 GFADRO Clc1ncnc2cnc(N3CCC4(CC[N@H+](Cc5cccnc5)C4)CC3)nc12 ZINC001164955297 722020233 /nfs/dbraw/zinc/02/02/33/722020233.db2.gz DUWIRYZRYCMQEF-UHFFFAOYSA-N 1 0 395.898 2.961 20 0 GFADRO c1cc(C[N@@H+]2CCOCC3(CCN(c4nccc(NC5CC5)n4)CC3)C2)ccn1 ZINC001164958092 722051984 /nfs/dbraw/zinc/05/19/84/722051984.db2.gz BZLOTBCEJSRQGN-UHFFFAOYSA-N 1 0 394.523 2.565 20 0 GFADRO COc1cc(C)cc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)n1 ZINC001164963921 722055600 /nfs/dbraw/zinc/05/56/00/722055600.db2.gz PSJCPDOEMAZWJY-UHFFFAOYSA-N 1 0 382.508 2.913 20 0 GFADRO Cc1cnc(Cl)c(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)n1 ZINC001164962227 722056845 /nfs/dbraw/zinc/05/68/45/722056845.db2.gz BSNUZKBQVWLZSP-UHFFFAOYSA-N 1 0 387.915 2.952 20 0 GFADRO Nc1cc(Cl)ncc1N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164963395 722058753 /nfs/dbraw/zinc/05/87/53/722058753.db2.gz YHOODZVKPDABLZ-UHFFFAOYSA-N 1 0 387.915 2.831 20 0 GFADRO CSc1nc(C)cc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164984678 722099330 /nfs/dbraw/zinc/09/93/30/722099330.db2.gz TXTIBVCNQQUAPZ-MSOLQXFVSA-N 1 0 385.537 2.629 20 0 GFADRO Clc1nc2[nH]ccc2c(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164983378 722099451 /nfs/dbraw/zinc/09/94/51/722099451.db2.gz PQXLREYFFMJEFR-DOTOQJQBSA-N 1 0 398.898 2.734 20 0 GFADRO Clc1cc(Cl)c(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)nn1 ZINC001164984692 722102732 /nfs/dbraw/zinc/10/27/32/722102732.db2.gz TYZMEFKGFSKBCJ-HOCLYGCPSA-N 1 0 394.306 2.906 20 0 GFADRO Clc1nc2ccoc2c(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164981532 722104342 /nfs/dbraw/zinc/10/43/42/722104342.db2.gz LPXLNSWLDKLMJG-WBVHZDCISA-N 1 0 399.882 2.999 20 0 GFADRO Cc1c[nH]c2nc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)ccc12 ZINC001164970946 722108851 /nfs/dbraw/zinc/10/88/51/722108851.db2.gz ATYRRHOKTBXFHB-QUCCMNQESA-N 1 0 377.492 2.994 20 0 GFADRO Fc1ccc2ncc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)nc2c1 ZINC001164983760 722112405 /nfs/dbraw/zinc/11/24/05/722112405.db2.gz ZYGMZVGJTSQBTN-LAUBAEHRSA-N 1 0 393.466 2.891 20 0 GFADRO Clc1cnc(Cl)c(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164983097 722112692 /nfs/dbraw/zinc/11/26/92/722112692.db2.gz YFHUXZYKTWCVHL-HUUCEWRRSA-N 1 0 394.306 2.906 20 0 GFADRO c1ccc2nnc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)cc2c1 ZINC001164983644 722120212 /nfs/dbraw/zinc/12/02/12/722120212.db2.gz YTJMWWIXBCBYAN-TZIWHRDSSA-N 1 0 375.476 2.752 20 0 GFADRO CC(C)COc1cncc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164984612 722144048 /nfs/dbraw/zinc/14/40/48/722144048.db2.gz XTBARFHNGNUSML-UXHICEINSA-N 1 0 397.523 2.634 20 0 GFADRO Cc1cc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)nc(C2CC2)n1 ZINC001164983324 722147287 /nfs/dbraw/zinc/14/72/87/722147287.db2.gz UDKRMKKRCCUUIB-UXHICEINSA-N 1 0 379.508 2.785 20 0 GFADRO Cc1nc(CN2CCO[C@H]3CCN(c4cccc(N(C)C)[nH+]4)CC[C@H]32)cs1 ZINC001164988952 722176353 /nfs/dbraw/zinc/17/63/53/722176353.db2.gz SKGUKDKFOURNGN-MSOLQXFVSA-N 1 0 387.553 2.782 20 0 GFADRO COc1cccc2ccc(N3CCCn4cnc(COCC[NH+](C)C)c4C3)nc21 ZINC001165000540 722251711 /nfs/dbraw/zinc/25/17/11/722251711.db2.gz RFYZSNGJGOFYDU-UHFFFAOYSA-N 1 0 395.507 2.928 20 0 GFADRO CCOc1ccc(Cl)nc1N1CCCn2cnc(COCC[NH+](C)C)c2C1 ZINC001165002169 722254379 /nfs/dbraw/zinc/25/43/79/722254379.db2.gz KNPJKQMGZSBAGS-UHFFFAOYSA-N 1 0 393.919 2.819 20 0 GFADRO C[NH2+]CCOCCN(C)C(=O)Nc1nnc(SCc2ccccc2)s1 ZINC000625836500 531915863 /nfs/dbraw/zinc/91/58/63/531915863.db2.gz INASEVJVRCAQBP-UHFFFAOYSA-N 1 0 381.527 2.530 20 0 GFADRO COc1cc(Br)c(C[NH2+]CC2([S@](C)=O)CCC2)cc1OC ZINC000393698130 563529158 /nfs/dbraw/zinc/52/91/58/563529158.db2.gz CVLHUIUSXPTOOU-NRFANRHFSA-N 1 0 376.316 2.857 20 0 GFADRO C[NH+]1CCN(CCCNC(=O)COc2cc(Cl)c(Cl)cc2Cl)CC1 ZINC000019368944 209235493 /nfs/dbraw/zinc/23/54/93/209235493.db2.gz KORSBXNUFCHKFO-UHFFFAOYSA-N 1 0 394.730 2.779 20 0 GFADRO C[C@H]([NH2+]C[C@H]1COC2(CCOCC2)O1)[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000359993044 209210329 /nfs/dbraw/zinc/21/03/29/209210329.db2.gz JMRMTIFOMQPYFJ-ULQDDVLXSA-N 1 0 384.517 2.676 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)N1CCCN(C(=O)c2ccco2)CC1)C1CCCCC1 ZINC000359939145 209205754 /nfs/dbraw/zinc/20/57/54/209205754.db2.gz XMEZYOYEGSJZFD-SFHVURJKSA-N 1 0 390.528 2.648 20 0 GFADRO Cc1sc2ncc(C(=O)N3CCC[C@H](C[NH+]4CCCCC4)C3)c(=O)n2c1C ZINC000359909944 209201247 /nfs/dbraw/zinc/20/12/47/209201247.db2.gz ZIMULZLGIJIREL-MRXNPFEDSA-N 1 0 388.537 2.711 20 0 GFADRO CS(=O)(=O)C1CCC([NH2+]C2CCN(CCc3ccc(F)cc3)CC2)CC1 ZINC000359883678 209199850 /nfs/dbraw/zinc/19/98/50/209199850.db2.gz XIHWRTDDYURARH-UHFFFAOYSA-N 1 0 382.545 2.778 20 0 GFADRO O=S1(=O)CCC[C@H]([NH2+]Cc2cc(Br)cc(Br)c2)C1 ZINC000394580125 563529906 /nfs/dbraw/zinc/52/99/06/563529906.db2.gz TZORVPRMFRFAOH-LBPRGKRZSA-N 1 0 397.132 2.878 20 0 GFADRO O=C1NCCCC[C@H]1[NH2+]Cc1cc(Br)cc(Br)c1 ZINC000394569339 563529960 /nfs/dbraw/zinc/52/99/60/563529960.db2.gz MXSOVUHIKLWYKS-GFCCVEGCSA-N 1 0 376.092 2.970 20 0 GFADRO CC[C@@H]1C[C@H](C(=O)N(C)C[C@@H]2CCC[N@H+](CC)[C@H]2c2cnn(C)c2)CCO1 ZINC000328616396 209147073 /nfs/dbraw/zinc/14/70/73/209147073.db2.gz BPBDHUYLOZFACW-PIKOESSRSA-N 1 0 376.545 2.857 20 0 GFADRO NC(=O)[C@H]([NH2+][C@@H]1CCO[C@@H](C(F)(F)F)C1)c1cccc(Br)c1 ZINC000287142628 563589616 /nfs/dbraw/zinc/58/96/16/563589616.db2.gz SIHYMTONVURZIF-IJLUTSLNSA-N 1 0 381.192 2.675 20 0 GFADRO Cc1cc(I)ccc1NC(=O)C[NH2+][C@H]1CCOC[C@H]1C ZINC000433176994 563604634 /nfs/dbraw/zinc/60/46/34/563604634.db2.gz PISHZCXVKQQZAD-YPMHNXCESA-N 1 0 388.249 2.553 20 0 GFADRO OC[C@@H]([NH2+]Cc1cc(Br)ccc1OC(F)F)[C@@H]1CCCOC1 ZINC000411992736 563643076 /nfs/dbraw/zinc/64/30/76/563643076.db2.gz KEARXGGYVBTEDO-ZWNOBZJWSA-N 1 0 380.229 2.928 20 0 GFADRO COC(=O)CC[C@@H]([NH3+])C(=O)Nc1cc(Br)cc(C(F)(F)F)c1 ZINC000288820639 563658694 /nfs/dbraw/zinc/65/86/94/563658694.db2.gz UFBKCBBZIUEZOQ-SNVBAGLBSA-N 1 0 383.164 2.687 20 0 GFADRO COc1ccc([C@@H](C)[NH2+]CC(=O)NC(=O)NC(C)(C)C)cc1Br ZINC000007879398 551102101 /nfs/dbraw/zinc/10/21/01/551102101.db2.gz KIMBEYFFRHYRBJ-SNVBAGLBSA-N 1 0 386.290 2.733 20 0 GFADRO COc1ccc(Br)cc1C[N@@H+]1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000009981406 551103816 /nfs/dbraw/zinc/10/38/16/551103816.db2.gz COIWJAKWDSEPFO-CQSZACIVSA-N 1 0 397.313 2.529 20 0 GFADRO CCOc1ccc(S(=O)(=O)NCC2([NH+]3CCSCC3)CCCC2)cc1 ZINC000030431804 551127738 /nfs/dbraw/zinc/12/77/38/551127738.db2.gz WDZUVDSLMFGMLP-UHFFFAOYSA-N 1 0 384.567 2.725 20 0 GFADRO O=C(NC1CC[NH+](C[C@@H](O)COc2cc(Cl)ccc2Cl)CC1)C1CC1 ZINC000030539134 551127815 /nfs/dbraw/zinc/12/78/15/551127815.db2.gz PUDMPSJEKXLILA-OAHLLOKOSA-N 1 0 387.307 2.724 20 0 GFADRO CC(C)[N@H+](C)CCCNC(=O)COc1ccc(I)cc1 ZINC000041927381 551136680 /nfs/dbraw/zinc/13/66/80/551136680.db2.gz QRMZYJIPIMMQMU-UHFFFAOYSA-N 1 0 390.265 2.517 20 0 GFADRO CCS(=O)(=O)c1ccc(NC(=O)NC[C@@H](c2cccs2)[NH+](C)C)cc1 ZINC000043953100 551143103 /nfs/dbraw/zinc/14/31/03/551143103.db2.gz OJIXUJPKMIOXAI-HNNXBMFYSA-N 1 0 381.523 2.966 20 0 GFADRO C[C@@H](CNS(=O)(=O)c1ccccc1OC(F)(F)F)[N@@H+]1CCC[C@H](C)C1 ZINC000045744930 551147841 /nfs/dbraw/zinc/14/78/41/551147841.db2.gz YLTHVEYEWLYKSY-STQMWFEESA-N 1 0 380.432 2.984 20 0 GFADRO CC[NH+](CC)CCNC(=O)[C@H](NC(=O)c1ccccc1Br)C(C)C ZINC000050081525 551159974 /nfs/dbraw/zinc/15/99/74/551159974.db2.gz YDOPJTFDHUUFFG-MRXNPFEDSA-N 1 0 398.345 2.662 20 0 GFADRO C[C@@H](CNS(=O)(=O)c1ccc(F)cc1Br)[N@@H+]1CCC[C@H](C)C1 ZINC000055240602 551171505 /nfs/dbraw/zinc/17/15/05/551171505.db2.gz PBDJRWRFSNTQPE-RYUDHWBXSA-N 1 0 393.322 2.987 20 0 GFADRO Cc1cnc(C(=O)N(CC[NH+](C)C)Cc2ccc(Br)cc2)cn1 ZINC000056996912 551179161 /nfs/dbraw/zinc/17/91/61/551179161.db2.gz ITTIUFRSWLQUJL-UHFFFAOYSA-N 1 0 377.286 2.752 20 0 GFADRO C[C@H](NC(=O)NC1CC[NH+](C)CC1)c1cc2c(cc1Br)OCCO2 ZINC000056991546 551179327 /nfs/dbraw/zinc/17/93/27/551179327.db2.gz OSQQALKYWRWTIS-NSHDSACASA-N 1 0 398.301 2.675 20 0 GFADRO CC(C)Oc1cc(Br)ccc1C(=O)NCCCN1CC[NH+](C)CC1 ZINC000057031329 551180093 /nfs/dbraw/zinc/18/00/93/551180093.db2.gz JMBPFXACMXLBQM-UHFFFAOYSA-N 1 0 398.345 2.604 20 0 GFADRO C[N@H+](CCNC(=O)C(=O)Nc1ccccc1Br)Cc1ccccc1 ZINC000067380241 551188147 /nfs/dbraw/zinc/18/81/47/551188147.db2.gz BMTYEPZEKXEQHY-UHFFFAOYSA-N 1 0 390.281 2.636 20 0 GFADRO Brc1ccccc1OCCN1CCC(C[NH+]2CCOCC2)CC1 ZINC000093545829 551195241 /nfs/dbraw/zinc/19/52/41/551195241.db2.gz VEAUDXQXZAALIW-UHFFFAOYSA-N 1 0 383.330 2.872 20 0 GFADRO CC[NH+]1CCN(CCC(=O)NC2(c3cccc(Br)c3)CCC2)CC1 ZINC000101664871 551197408 /nfs/dbraw/zinc/19/74/08/551197408.db2.gz CBTGPLVGFKQGAN-UHFFFAOYSA-N 1 0 394.357 2.972 20 0 GFADRO CN(CC1CC[NH+](C)CC1)C(=O)C[C@@H]1Sc2ccc(Cl)cc2NC1=O ZINC000103452565 551198115 /nfs/dbraw/zinc/19/81/15/551198115.db2.gz REJDVTDFEDTZQL-INIZCTEOSA-N 1 0 381.929 2.943 20 0 GFADRO CC[N@H+](CCNC(=O)c1cc(=O)c2cc(Br)ccc2[nH]1)C1CC1 ZINC000112635109 551206660 /nfs/dbraw/zinc/20/66/60/551206660.db2.gz FWHIINMQHBNWEB-UHFFFAOYSA-N 1 0 378.270 2.505 20 0 GFADRO C[C@@H]1SCCN(CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)[C@H]1C ZINC000112645184 551206773 /nfs/dbraw/zinc/20/67/73/551206773.db2.gz CZQKMANRVFHAKB-HOTGVXAUSA-N 1 0 379.595 3.000 20 0 GFADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cccc(C)c3Br)C2)CC1 ZINC000119149927 551215819 /nfs/dbraw/zinc/21/58/19/551215819.db2.gz KNGVCKRIEWWFCQ-OAHLLOKOSA-N 1 0 380.330 2.610 20 0 GFADRO Cc1ccc(Br)c(S(=O)(=O)N2CCN(C)c3cc[nH+]cc32)c1 ZINC000120367320 551219884 /nfs/dbraw/zinc/21/98/84/551219884.db2.gz XRRQHXJGTFFBGH-UHFFFAOYSA-N 1 0 382.283 2.798 20 0 GFADRO C[N@H+](CCNS(=O)(=O)Cc1ccc(Br)cc1)C1CCCC1 ZINC000120385737 551220702 /nfs/dbraw/zinc/22/07/02/551220702.db2.gz FHCHBMSCQODLIA-UHFFFAOYSA-N 1 0 375.332 2.743 20 0 GFADRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)c2ccc(Br)cc2-n2cncn2)C1 ZINC000120933449 551223283 /nfs/dbraw/zinc/22/32/83/551223283.db2.gz CIEOBEKBWWDSBC-KGLIPLIRSA-N 1 0 392.301 2.632 20 0 GFADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)NCCOc3ncc(Cl)cc3Cl)CC[C@@H]21 ZINC000121208740 551229468 /nfs/dbraw/zinc/22/94/68/551229468.db2.gz JBDMHILGXQOGJV-DOMZBBRYSA-N 1 0 387.311 2.893 20 0 GFADRO C[N@H+](Cc1coc(-c2cccc(Cl)c2)n1)C1CCN(S(C)(=O)=O)CC1 ZINC000121709413 551240394 /nfs/dbraw/zinc/24/03/94/551240394.db2.gz BWAFQEJCKDRZKB-UHFFFAOYSA-N 1 0 383.901 2.851 20 0 GFADRO C[C@H](CNC(=O)C(C)(C)c1ccc(Br)cc1)C[NH+]1CCN(C)CC1 ZINC000121738217 551241267 /nfs/dbraw/zinc/24/12/67/551241267.db2.gz BLFQPIYGNPFFDV-OAHLLOKOSA-N 1 0 396.373 2.726 20 0 GFADRO CCC(=O)N1CCC[N@H+](C[C@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000122716899 551300987 /nfs/dbraw/zinc/30/09/87/551300987.db2.gz VVCDTVVCJBUUDZ-ZDUSSCGKSA-N 1 0 375.296 2.677 20 0 GFADRO COc1ccsc1S(=O)(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000123276228 551304507 /nfs/dbraw/zinc/30/45/07/551304507.db2.gz RLRXXLBZCOGDHX-ZBFHGGJFSA-N 1 0 380.535 2.946 20 0 GFADRO Cc1cc(N2CCC[C@@H]([NH2+][C@@H](C)CC(=O)N(C)C)C2=O)ccc1Br ZINC000124113819 551310350 /nfs/dbraw/zinc/31/03/50/551310350.db2.gz NAFLKNGZHAANPY-XJKSGUPXSA-N 1 0 396.329 2.709 20 0 GFADRO CN1CC[C@@H](NC(=O)C[N@H+](C)[C@@H]2CCSC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000124439747 551314802 /nfs/dbraw/zinc/31/48/02/551314802.db2.gz GYYVYLSMMIMPTO-QBIMZIAESA-N 1 0 385.936 2.778 20 0 GFADRO Cc1ccc(C[N@@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)cc1Br ZINC000124477780 551315369 /nfs/dbraw/zinc/31/53/69/551315369.db2.gz HRLCRQJDONIGPY-INIZCTEOSA-N 1 0 381.314 2.828 20 0 GFADRO O=C(Cc1cccc(Br)c1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000124684805 551316604 /nfs/dbraw/zinc/31/66/04/551316604.db2.gz LEPRSZVFQJVEBJ-UHFFFAOYSA-N 1 0 381.314 2.562 20 0 GFADRO CC[N@@H+]1CC[C@@H](CNC(=O)c2ccc(S(=O)(=O)c3ccccc3)s2)C1 ZINC000125752314 551324170 /nfs/dbraw/zinc/32/41/70/551324170.db2.gz DHDIJNGWLDPBTM-AWEZNQCLSA-N 1 0 378.519 2.653 20 0 GFADRO C[C@H]1C[NH2+]CCN1C(=O)CCCCc1ccc(I)cc1 ZINC000126414289 551329864 /nfs/dbraw/zinc/32/98/64/551329864.db2.gz LODNHEINRNULAG-ZDUSSCGKSA-N 1 0 386.277 2.824 20 0 GFADRO C[C@@H](C[S@](C)=O)[N@H+](C)C[C@H](O)COc1ccc(Cl)cc1Br ZINC000126576493 551331468 /nfs/dbraw/zinc/33/14/68/551331468.db2.gz JUPXPDMIKOHPON-HPPJEKTDSA-N 1 0 398.750 2.541 20 0 GFADRO Cc1cc(Br)oc1C(=O)Nc1ccc(OC[C@@H](O)C[NH+](C)C)cc1 ZINC000126733381 551332280 /nfs/dbraw/zinc/33/22/80/551332280.db2.gz XPPJPGITFRGCSE-ZDUSSCGKSA-N 1 0 397.269 2.904 20 0 GFADRO CC[N@@H+]1CCC[C@H](CNS(=O)(=O)c2cc(C)ccc2Br)C1 ZINC000126982128 551335302 /nfs/dbraw/zinc/33/53/02/551335302.db2.gz KPAMHTKHXXNVCG-CYBMUJFWSA-N 1 0 375.332 2.768 20 0 GFADRO C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+][C@@H](C)CCS(C)(=O)=O ZINC000127146893 551337211 /nfs/dbraw/zinc/33/72/11/551337211.db2.gz APXHQVLRUWBBGC-NWDGAFQWSA-N 1 0 380.432 2.835 20 0 GFADRO Cc1c(I)cccc1C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000128217254 551347610 /nfs/dbraw/zinc/34/76/10/551347610.db2.gz UQEXCFRVKKZZSN-UHFFFAOYSA-N 1 0 384.261 2.767 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)c1cc(F)c(F)cc1I)C1CC1 ZINC000128329663 551349195 /nfs/dbraw/zinc/34/91/95/551349195.db2.gz KRVNCTBKTJKMFB-ZDUSSCGKSA-N 1 0 394.203 2.639 20 0 GFADRO O=C(NC[C@@H]1CCC[NH2+]C1)[C@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 ZINC000129748928 551359791 /nfs/dbraw/zinc/35/97/91/551359791.db2.gz VVOQUSSYQNHLKE-MLGOLLRUSA-N 1 0 384.307 2.714 20 0 GFADRO O=C(NCC[C@H]1CC[NH2+]C1)Nc1cc(F)c(I)c(F)c1 ZINC000415123214 563759624 /nfs/dbraw/zinc/75/96/24/563759624.db2.gz PHDASQFHSSNDAR-MRVPVSSYSA-N 1 0 395.191 2.691 20 0 GFADRO CCC(=O)N[C@@H]1CCCN(CC(=O)N(C)Cc2cc(Cl)cc(Cl)c2)C1 ZINC000130402450 551364486 /nfs/dbraw/zinc/36/44/86/551364486.db2.gz SMUSLBRTKHVMNY-MRXNPFEDSA-N 1 0 386.323 2.942 20 0 GFADRO CC(C)[NH+]1CCN(CC(=O)Nc2c(F)cc(F)cc2Br)CC1 ZINC000130498739 551365100 /nfs/dbraw/zinc/36/51/00/551365100.db2.gz NQBVYZMWZBUFNP-UHFFFAOYSA-N 1 0 376.245 2.692 20 0 GFADRO Cc1cc(Br)cc(CN2CCCO[C@H](C[NH3+])C2)c1OC(F)F ZINC000415112848 563759685 /nfs/dbraw/zinc/75/96/85/563759685.db2.gz SMWNAXGBRCRVQZ-CYBMUJFWSA-N 1 0 379.245 2.909 20 0 GFADRO CSCc1noc(CCC(=O)NC2CC[NH+](Cc3ccsc3)CC2)n1 ZINC000130634960 551367627 /nfs/dbraw/zinc/36/76/27/551367627.db2.gz CXSNMXUCXTVWAK-UHFFFAOYSA-N 1 0 380.539 2.708 20 0 GFADRO OC[C@H]1c2ccccc2CC[N@H+]1C[C@H](O)COc1ccc(Br)cc1 ZINC000130846401 551369771 /nfs/dbraw/zinc/36/97/71/551369771.db2.gz BDWRUYVVUJMSQY-LPHOPBHVSA-N 1 0 392.293 2.781 20 0 GFADRO CS(=O)(=O)c1csc(C(=O)NC[C@@H]2CCC[N@@H+]2CC2CCCCC2)c1 ZINC000130839522 551370129 /nfs/dbraw/zinc/37/01/29/551370129.db2.gz FHXWBMCNIRWLKF-HNNXBMFYSA-N 1 0 384.567 2.926 20 0 GFADRO CC(C)(C)c1n[nH]cc1C[NH2+]C[C@H](O)COc1ccccc1Br ZINC000131043103 551371381 /nfs/dbraw/zinc/37/13/81/551371381.db2.gz IKBJNMPIONINSO-ZDUSSCGKSA-N 1 0 382.302 2.999 20 0 GFADRO [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)CCCc2ccc(Cl)c(Cl)c2)C1 ZINC000132090743 551376628 /nfs/dbraw/zinc/37/66/28/551376628.db2.gz YIMMNCDXLKEDBK-AWEZNQCLSA-N 1 0 386.323 2.630 20 0 GFADRO Cc1ncsc1C(=O)N1CCCN(C[C@@H](O)c2ccccc2Cl)CC1 ZINC000142089850 551394934 /nfs/dbraw/zinc/39/49/34/551394934.db2.gz LVAKSKOQTVAOMT-MRXNPFEDSA-N 1 0 379.913 2.986 20 0 GFADRO C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)c1csc(Br)c1 ZINC000150841264 551402453 /nfs/dbraw/zinc/40/24/53/551402453.db2.gz HSBJKWSLELFNKD-UHFFFAOYSA-N 1 0 382.283 2.923 20 0 GFADRO C[NH2+][C@H]1CCCN(C(=O)CCC(=O)c2cc(Br)ccc2OC)C1 ZINC000150998576 551405393 /nfs/dbraw/zinc/40/53/93/551405393.db2.gz RUIALKRTDZESMB-ZDUSSCGKSA-N 1 0 383.286 2.631 20 0 GFADRO CC[C@@H](c1ccc(Br)cc1)N1CC[NH+](CC2(CO)COC2)CC1 ZINC000151024311 551405859 /nfs/dbraw/zinc/40/58/59/551405859.db2.gz OZIGBVSCPDDRJH-KRWDZBQOSA-N 1 0 383.330 2.527 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)c1cc(S(C)(=O)=O)ccc1Cl)C1CCCCC1 ZINC000151142171 551408084 /nfs/dbraw/zinc/40/80/84/551408084.db2.gz LBAKUPDAYNAQSO-KRWDZBQOSA-N 1 0 386.945 2.984 20 0 GFADRO O=S(=O)(c1cc(Br)ccc1F)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000151617661 551418021 /nfs/dbraw/zinc/41/80/21/551418021.db2.gz DODKTFNUSAGPBS-LBPRGKRZSA-N 1 0 391.306 2.695 20 0 GFADRO Cc1c(I)cccc1C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000151995873 551424345 /nfs/dbraw/zinc/42/43/45/551424345.db2.gz CGTSGMMFIAKENE-UHFFFAOYSA-N 1 0 398.248 2.610 20 0 GFADRO CNC(=O)CN1CCC([NH2+][C@H](C)c2cc(Cl)ccc2OC(F)F)CC1 ZINC000152005982 551425026 /nfs/dbraw/zinc/42/50/26/551425026.db2.gz COGFJKMJCBOWOI-LLVKDONJSA-N 1 0 375.847 2.802 20 0 GFADRO O=C(Cc1ccc(Br)c(F)c1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000152165419 551427742 /nfs/dbraw/zinc/42/77/42/551427742.db2.gz AJOLDECFYUZADT-UHFFFAOYSA-N 1 0 378.245 2.875 20 0 GFADRO CN(CC(=O)N(C)Cc1ccccc1Br)C[C@@H]1CCC[N@H+](C)C1 ZINC000152466919 551433822 /nfs/dbraw/zinc/43/38/22/551433822.db2.gz VOXXDAXHBMGYKV-OAHLLOKOSA-N 1 0 382.346 2.681 20 0 GFADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](C)Cc1ccc(Br)cc1 ZINC000152527378 551434651 /nfs/dbraw/zinc/43/46/51/551434651.db2.gz WXTGFZSJMUZLBK-RHSMWYFYSA-N 1 0 383.330 2.855 20 0 GFADRO C[N@H+](CCC(=O)N1CCOCC1)CC1(c2ccc(Br)cc2)CC1 ZINC000152616836 551436485 /nfs/dbraw/zinc/43/64/85/551436485.db2.gz KVKRHPYQUVXNSO-UHFFFAOYSA-N 1 0 381.314 2.661 20 0 GFADRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2S(=O)(=O)c2cccc(OC(F)(F)F)c2)C1 ZINC000152866610 551441915 /nfs/dbraw/zinc/44/19/15/551441915.db2.gz VRRLWRQBEJTZPX-IUODEOHRSA-N 1 0 378.416 2.690 20 0 GFADRO Cc1ccc(Br)c(NC(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c1 ZINC000154581442 551478412 /nfs/dbraw/zinc/47/84/12/551478412.db2.gz WXRYYLKEOCIZBP-XJKSGUPXSA-N 1 0 394.313 2.639 20 0 GFADRO CC[NH+](CC)[C@H](C)CNC(=O)c1ccc(OC)c(I)c1 ZINC000154630357 551479546 /nfs/dbraw/zinc/47/95/46/551479546.db2.gz PNLQWPDISHUGSX-LLVKDONJSA-N 1 0 390.265 2.760 20 0 GFADRO CC[N@H+](CCNC(=O)c1ccc(OC)c(I)c1)C(C)C ZINC000154698052 551481088 /nfs/dbraw/zinc/48/10/88/551481088.db2.gz MBRSKVDXQHJOJL-UHFFFAOYSA-N 1 0 390.265 2.760 20 0 GFADRO CCOC(=O)[C@@H](NC1CC[NH+](C)CC1)c1ccc(OC)c(Br)c1 ZINC000154750959 551482490 /nfs/dbraw/zinc/48/24/90/551482490.db2.gz QXPRCLKNDJJRFD-INIZCTEOSA-N 1 0 385.302 2.746 20 0 GFADRO CC[NH+](CC)[C@H](CNS(=O)(=O)c1sccc1OC)Cc1ccccc1 ZINC000154834571 551483754 /nfs/dbraw/zinc/48/37/54/551483754.db2.gz WHYAXDJHUOBWJG-INIZCTEOSA-N 1 0 382.551 2.988 20 0 GFADRO C[C@@H]1CCC[N@@H+]1C1CCN(c2ncnc3c2c(Br)nn3C)CC1 ZINC000154958276 551486799 /nfs/dbraw/zinc/48/67/99/551486799.db2.gz STLPIXBEEHCODF-LLVKDONJSA-N 1 0 379.306 2.579 20 0 GFADRO C[N@@H+]1CCC[C@H]2CN(C(=O)Cc3cccc(I)c3)CC[C@@H]21 ZINC000154962058 551487088 /nfs/dbraw/zinc/48/70/88/551487088.db2.gz KZDVCVXYOARRDD-HOCLYGCPSA-N 1 0 398.288 2.776 20 0 GFADRO Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)CN(C)[C@H]1CCSC1 ZINC000155187801 551493873 /nfs/dbraw/zinc/49/38/73/551493873.db2.gz HMMCEQZAEWZPRA-KRWDZBQOSA-N 1 0 379.595 2.920 20 0 GFADRO COc1ccc(Br)cc1CC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000155203752 551493998 /nfs/dbraw/zinc/49/39/98/551493998.db2.gz DOAJXRZUBLUIIP-CJNGLKHVSA-N 1 0 381.314 2.943 20 0 GFADRO O=S(=O)(NCC[NH+]1CCCCCC1)c1cc(F)ccc1Br ZINC000155273762 551496234 /nfs/dbraw/zinc/49/62/34/551496234.db2.gz AUGIKWIXESXGGA-UHFFFAOYSA-N 1 0 379.295 2.743 20 0 GFADRO Cc1sc(Br)cc1S(=O)(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000155278063 551496254 /nfs/dbraw/zinc/49/62/54/551496254.db2.gz BJCXJFDFOFAVOD-GXSJLCMTSA-N 1 0 381.361 2.780 20 0 GFADRO O=C(CC[NH+]1CCC(Cn2ccnn2)CC1)Nc1ccc(Br)cc1 ZINC000155613708 551504080 /nfs/dbraw/zinc/50/40/80/551504080.db2.gz QVWJFSFFRZZYTC-UHFFFAOYSA-N 1 0 392.301 2.781 20 0 GFADRO CC[C@@H](C(=O)N[C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1)[NH+](C)C ZINC000155839376 551509187 /nfs/dbraw/zinc/50/91/87/551509187.db2.gz COBXGZWBRBFKGS-AAEUAGOBSA-N 1 0 378.826 2.789 20 0 GFADRO CO[C@@H]1CCN(C(=O)Nc2c(F)cc(Br)cc2F)[C@H](C[NH3+])C1 ZINC000415210874 563762603 /nfs/dbraw/zinc/76/26/03/563762603.db2.gz KPOYYPGFYYZYMQ-VHSXEESVSA-N 1 0 378.217 2.697 20 0 GFADRO O[C@@H](C[NH2+]Cc1ccc(Br)c(F)c1)COc1ccc2c(c1)OCO2 ZINC000156354505 551521079 /nfs/dbraw/zinc/52/10/79/551521079.db2.gz PDJHOVCBGDBOBJ-LBPRGKRZSA-N 1 0 398.228 2.846 20 0 GFADRO Cc1cccc(S(=O)(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)c1Br ZINC000156522475 551524092 /nfs/dbraw/zinc/52/40/92/551524092.db2.gz LNVQWEDIZBPVHU-OLZOCXBDSA-N 1 0 375.332 2.909 20 0 GFADRO C[C@H]([NH2+]C[C@@H](O)COc1ccc(I)cc1)c1ccncc1 ZINC000156585657 551525726 /nfs/dbraw/zinc/52/57/26/551525726.db2.gz MHYDZLQPBALEFO-SWLSCSKDSA-N 1 0 398.244 2.777 20 0 GFADRO C[C@@H]1CCCN(C(=O)c2cc(=O)[nH]c3ccc(Br)cc32)[C@@H]1C[NH3+] ZINC000156783004 551527770 /nfs/dbraw/zinc/52/77/70/551527770.db2.gz PVNZIKXLALOQFV-MEBBXXQBSA-N 1 0 378.270 2.902 20 0 GFADRO C[C@H]1CCCN(C(=O)c2ccn(-c3cccc(Br)c3)n2)[C@@H]1C[NH3+] ZINC000156977005 551531710 /nfs/dbraw/zinc/53/17/10/551531710.db2.gz ILNRFMVWMULMJT-BLLLJJGKSA-N 1 0 377.286 2.834 20 0 GFADRO C[C@H](Cn1cc(Br)cn1)[NH2+]C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000157330190 551536853 /nfs/dbraw/zinc/53/68/53/551536853.db2.gz SQGKMTYIAVIIQL-OLZOCXBDSA-N 1 0 387.322 2.881 20 0 GFADRO C[C@@H](Cn1cc(Br)cn1)[NH2+]C[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000157330304 551537045 /nfs/dbraw/zinc/53/70/45/551537045.db2.gz SQGKMTYIAVIIQL-QWHCGFSZSA-N 1 0 387.322 2.881 20 0 GFADRO CC(C)C(=O)NCC[N@H+](C)CCC(=O)Nc1ccc(Br)cc1F ZINC000157726158 551541440 /nfs/dbraw/zinc/54/14/40/551541440.db2.gz UQMFOBDEXKYUDM-UHFFFAOYSA-N 1 0 388.281 2.621 20 0 GFADRO Cc1cc(C(=O)N[C@@H](C)[C@H]2CN(C)CCO2)c2cc(Br)ccc2n1 ZINC000157688070 551541679 /nfs/dbraw/zinc/54/16/79/551541679.db2.gz LJKUZFWPJJLQGH-YVEFUNNKSA-N 1 0 392.297 2.755 20 0 GFADRO Cc1cc(C(=O)N[C@H]2CCC[C@H]2C[NH3+])nn1-c1ccc(Br)cc1 ZINC000157949029 551544973 /nfs/dbraw/zinc/54/49/73/551544973.db2.gz DWYGIOQXGVPMQE-WFASDCNBSA-N 1 0 377.286 2.800 20 0 GFADRO Cc1cc(C(=O)N[C@H]2CCC[C@@H]2C[NH3+])nn1-c1ccc(Br)cc1 ZINC000157948726 551545138 /nfs/dbraw/zinc/54/51/38/551545138.db2.gz DWYGIOQXGVPMQE-DOMZBBRYSA-N 1 0 377.286 2.800 20 0 GFADRO CC(C)[C@@H]([NH3+])C(=O)Nc1ccc(Br)c(I)c1 ZINC000158187593 551548117 /nfs/dbraw/zinc/54/81/17/551548117.db2.gz ZTAWTJYESWVEGX-SNVBAGLBSA-N 1 0 397.054 2.976 20 0 GFADRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)Nc1cc(F)c(F)cc1I ZINC000415244337 563763577 /nfs/dbraw/zinc/76/35/77/563763577.db2.gz XPWNXPJTRLKEOU-YUMQZZPRSA-N 1 0 395.191 2.770 20 0 GFADRO Cc1nn(Cc2cccc(Br)c2)c(C)c1C(=O)N[C@H](C[NH3+])C1CC1 ZINC000159164269 551561562 /nfs/dbraw/zinc/56/15/62/551561562.db2.gz XGVHEMWLFDFWGO-MRXNPFEDSA-N 1 0 391.313 2.778 20 0 GFADRO O=C(c1nn(-c2ccc(F)cc2)cc1Br)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000159232520 551562491 /nfs/dbraw/zinc/56/24/91/551562491.db2.gz HOIYDJUSPOXHIE-KRWDZBQOSA-N 1 0 393.260 2.600 20 0 GFADRO [NH3+][C@H]1CCC[C@H](NC(=O)c2ccc(Cl)c(I)c2)C1 ZINC000161517917 551595529 /nfs/dbraw/zinc/59/55/29/551595529.db2.gz KUCKFYVQDBSDBA-UWVGGRQHSA-N 1 0 378.641 2.944 20 0 GFADRO C[C@@H](CNC(=O)c1ccc2cc(Br)ccc2c1)N1CC[NH+](C)CC1 ZINC000161646995 551596946 /nfs/dbraw/zinc/59/69/46/551596946.db2.gz CLILXPJSABVHID-AWEZNQCLSA-N 1 0 390.325 2.968 20 0 GFADRO CC(C)[C@H](CCO)[NH2+][C@H](C)C(=O)Nc1ccc(I)cc1 ZINC000161744354 551598313 /nfs/dbraw/zinc/59/83/13/551598313.db2.gz RIHDKXNXNULPDN-RISCZKNCSA-N 1 0 390.265 2.615 20 0 GFADRO CCOc1ccc(S(=O)(=O)NC[C@H]2CCC[N@@H+]2CC)cc1Br ZINC000162161259 551604416 /nfs/dbraw/zinc/60/44/16/551604416.db2.gz GUWURUWMCUMLHF-GFCCVEGCSA-N 1 0 391.331 2.610 20 0 GFADRO C[C@@H]1C[C@H](N(C)S(=O)(=O)c2cc(F)c(Br)cc2F)CC[N@@H+]1C ZINC000162707885 551612255 /nfs/dbraw/zinc/61/22/55/551612255.db2.gz WMIVOSFIORRPJT-NXEZZACHSA-N 1 0 397.285 2.831 20 0 GFADRO CC(C)CN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(Br)cc1F ZINC000162755820 551612657 /nfs/dbraw/zinc/61/26/57/551612657.db2.gz JOMOKRIZUCHNQO-UHFFFAOYSA-N 1 0 388.281 2.573 20 0 GFADRO Cc1cc(I)ccc1NC(=O)C[NH2+][C@@H](C)[C@@H]1CCOC1 ZINC000162868267 551613443 /nfs/dbraw/zinc/61/34/43/551613443.db2.gz ILUOVKFVIUYTCM-NWDGAFQWSA-N 1 0 388.249 2.553 20 0 GFADRO CC(C)(C)[C@H]([NH3+])C(=O)NCC1(c2cccc(Br)c2)CCOCC1 ZINC000162999003 551615345 /nfs/dbraw/zinc/61/53/45/551615345.db2.gz LMUIPVXLJLCBPW-OAHLLOKOSA-N 1 0 383.330 2.987 20 0 GFADRO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CC1(N(C)C)CCOCC1 ZINC000168261220 551634301 /nfs/dbraw/zinc/63/43/01/551634301.db2.gz HKNWHIYRBBOLLC-CQSZACIVSA-N 1 0 398.345 2.867 20 0 GFADRO C[C@@H]1C[C@@H](C)C[NH+](CCCNS(=O)(=O)c2ccccc2OC(F)F)C1 ZINC000170663492 551637700 /nfs/dbraw/zinc/63/77/00/551637700.db2.gz MOYLIHZVDSPSPH-ZIAGYGMSSA-N 1 0 376.469 2.934 20 0 GFADRO Cc1c(Br)cccc1NC(=O)C(=O)NC[C@@H](C(C)C)[NH+]1CCCC1 ZINC000170703555 551638123 /nfs/dbraw/zinc/63/81/23/551638123.db2.gz HJBMNILJVWOQNH-INIZCTEOSA-N 1 0 396.329 2.933 20 0 GFADRO Cc1c(Br)cccc1NC(=O)C(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000170703163 551638217 /nfs/dbraw/zinc/63/82/17/551638217.db2.gz BQCGGYIKIRYCKS-LBPRGKRZSA-N 1 0 382.302 2.544 20 0 GFADRO COC(=O)[C@H]1CCC[N@@H+]([C@@H](C)C(=O)N(C)Cc2ccc(Br)cc2)C1 ZINC000171061660 551645612 /nfs/dbraw/zinc/64/56/12/551645612.db2.gz INJDAKSIVLUKDE-ZFWWWQNUSA-N 1 0 397.313 2.681 20 0 GFADRO CCOC(=O)C1CCN(C(=O)C[NH2+][C@@H](C)c2ccc(Br)cc2)CC1 ZINC000171118244 551647800 /nfs/dbraw/zinc/64/78/00/551647800.db2.gz SENXTGIENQUCES-ZDUSSCGKSA-N 1 0 397.313 2.901 20 0 GFADRO CCOC(=O)C1CCN(C(=O)C[NH2+][C@H](C)c2ccc(Br)cc2)CC1 ZINC000171118248 551647826 /nfs/dbraw/zinc/64/78/26/551647826.db2.gz SENXTGIENQUCES-CYBMUJFWSA-N 1 0 397.313 2.901 20 0 GFADRO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)NCc1cccc(Br)c1 ZINC000171668065 551660863 /nfs/dbraw/zinc/66/08/63/551660863.db2.gz GEGJUICVZJIJBG-UHFFFAOYSA-N 1 0 397.361 2.617 20 0 GFADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@H](C)c1ccc(Br)cc1 ZINC000171897917 551666277 /nfs/dbraw/zinc/66/62/77/551666277.db2.gz XUGUISNHMIOSBJ-CJNGLKHVSA-N 1 0 384.318 2.920 20 0 GFADRO Cc1cc(Br)cc(Cl)c1NC(=O)C(=O)NC[C@@H]1CCC[N@H+]1C ZINC000172306206 551675890 /nfs/dbraw/zinc/67/58/90/551675890.db2.gz JLAWJKBSAVNURA-NSHDSACASA-N 1 0 388.693 2.560 20 0 GFADRO COC[C@H](C)CNC(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000172493392 551680475 /nfs/dbraw/zinc/68/04/75/551680475.db2.gz DEPLHXVBFPYJRL-CQSZACIVSA-N 1 0 386.334 2.805 20 0 GFADRO CC[NH+](CC)[C@@H](CNC(=O)c1c[nH]c(=O)c(Br)c1)c1ccccc1 ZINC000173022786 551692590 /nfs/dbraw/zinc/69/25/90/551692590.db2.gz CXFWGADUSCGMLA-INIZCTEOSA-N 1 0 392.297 2.950 20 0 GFADRO C[NH+]1CCC(CCNS(=O)(=O)c2cc(Br)ccc2F)CC1 ZINC000173088904 551695632 /nfs/dbraw/zinc/69/56/32/551695632.db2.gz VJJXYNYWEIRHES-UHFFFAOYSA-N 1 0 379.295 2.598 20 0 GFADRO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)Nc1cc(F)c(Br)c(Cl)c1 ZINC000415434936 563775746 /nfs/dbraw/zinc/77/57/46/563775746.db2.gz WYTVKRFSMNHEAB-VIFPVBQESA-N 1 0 394.672 2.670 20 0 GFADRO O=C(c1ccc(Cl)c(I)c1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000292834072 563796492 /nfs/dbraw/zinc/79/64/92/563796492.db2.gz BPXHRZQIRNCMTG-MFKMUULPSA-N 1 0 390.652 2.769 20 0 GFADRO CC(C)(CCC[NH3+])NC(=O)C(=O)Nc1cc(F)c(Br)cc1Cl ZINC000415766679 563795660 /nfs/dbraw/zinc/79/56/60/563795660.db2.gz WLUWOUZIKBWTPP-UHFFFAOYSA-N 1 0 394.672 2.814 20 0 GFADRO CC[NH+]1CCN([C@H]2CCN(C(=O)/C=C/c3cc(Br)cs3)C2)CC1 ZINC000173109735 552078131 /nfs/dbraw/zinc/07/81/31/552078131.db2.gz IZDXQQWPZMZESG-BWPKMQGJSA-N 1 0 398.370 2.762 20 0 GFADRO C[C@H](CNS(=O)(=O)c1ccc(F)c(Br)c1)C[NH+]1CCCC1 ZINC000173194684 552078945 /nfs/dbraw/zinc/07/89/45/552078945.db2.gz OOGOLXMPENQNCV-LLVKDONJSA-N 1 0 379.295 2.598 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2ccc(F)c(Br)c2)[C@H](C)C1 ZINC000173204050 552079408 /nfs/dbraw/zinc/07/94/08/552079408.db2.gz KSNQATMVPAUPSS-ABAIWWIYSA-N 1 0 393.322 2.939 20 0 GFADRO Cc1cc(S(=O)(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)ccc1Br ZINC000173239116 552080508 /nfs/dbraw/zinc/08/05/08/552080508.db2.gz JUBIKBQKQWBCLW-SWLSCSKDSA-N 1 0 375.332 2.718 20 0 GFADRO Cc1cc(S(=O)(=O)N(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)ccc1Br ZINC000173239136 552080793 /nfs/dbraw/zinc/08/07/93/552080793.db2.gz JUBIKBQKQWBCLW-WFASDCNBSA-N 1 0 375.332 2.718 20 0 GFADRO C[C@@H]1C[N@@H+](C2CCN(C(=O)c3ccc(F)c(Br)c3)CC2)CCO1 ZINC000173253100 552081255 /nfs/dbraw/zinc/08/12/55/552081255.db2.gz HBYDXVJBYUBIHH-GFCCVEGCSA-N 1 0 385.277 2.914 20 0 GFADRO CC[NH+]1CCC(CCNS(=O)(=O)c2ccc(Br)s2)CC1 ZINC000173511996 552087141 /nfs/dbraw/zinc/08/71/41/552087141.db2.gz QIRZXARKKHUQIZ-UHFFFAOYSA-N 1 0 381.361 2.911 20 0 GFADRO CC[NH+](CC)C[C@@H]1CCN(C(=O)CNC(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000173599881 552088659 /nfs/dbraw/zinc/08/86/59/552088659.db2.gz FFIOYDSQHXINFM-ZDUSSCGKSA-N 1 0 386.323 2.914 20 0 GFADRO C[C@H](C(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1)c1ccc(Br)s1 ZINC000173825883 552093125 /nfs/dbraw/zinc/09/31/25/552093125.db2.gz ALXFYBXOMCKUEP-STQMWFEESA-N 1 0 387.343 2.795 20 0 GFADRO CCC[N@H+](C)C[C@H]1CCN(S(=O)(=O)c2ccc(Br)c(F)c2)C1 ZINC000173955655 552095718 /nfs/dbraw/zinc/09/57/18/552095718.db2.gz VPDBPQJEISBOCF-GFCCVEGCSA-N 1 0 393.322 2.941 20 0 GFADRO CC[C@@H](CO)[NH+]1CCN(CC(=O)N[C@H](C)c2ccc(Cl)c(Cl)c2)CC1 ZINC000174133938 552100340 /nfs/dbraw/zinc/10/03/40/552100340.db2.gz UEGBPCBTYWQAOF-HIFRSBDPSA-N 1 0 388.339 2.559 20 0 GFADRO O=C(c1cc2c(cccc2Br)[nH]1)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000174191788 552101743 /nfs/dbraw/zinc/10/17/43/552101743.db2.gz XDBAURVOWXYTQQ-CYBMUJFWSA-N 1 0 392.297 2.725 20 0 GFADRO CC[NH+](CC)C[C@@H]1CCN(C[C@H](O)COc2ccc(Br)cc2)C1 ZINC000174213520 552102185 /nfs/dbraw/zinc/10/21/85/552102185.db2.gz JZGZCPIISCCYOW-RDJZCZTQSA-N 1 0 385.346 2.853 20 0 GFADRO C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)Nc1ccc(F)c(Br)c1 ZINC000174636664 552107256 /nfs/dbraw/zinc/10/72/56/552107256.db2.gz SUHRBWFRVKSLSO-NSHDSACASA-N 1 0 386.265 2.517 20 0 GFADRO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)Nc1c(F)cc(Br)cc1F ZINC000174629630 552107336 /nfs/dbraw/zinc/10/73/36/552107336.db2.gz PJVPRHQVYREPGW-SECBINFHSA-N 1 0 392.244 2.512 20 0 GFADRO O=C(NCC[NH+]1CCCCCC1)C(=O)Nc1ccc(Br)c(F)c1 ZINC000174635048 552107564 /nfs/dbraw/zinc/10/75/64/552107564.db2.gz BSGCHQDSFWMRMM-UHFFFAOYSA-N 1 0 386.265 2.519 20 0 GFADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)Nc1ccc(Br)c(OC)c1 ZINC000175016171 552113821 /nfs/dbraw/zinc/11/38/21/552113821.db2.gz SXYJIVXAJHPJRQ-CYBMUJFWSA-N 1 0 386.290 2.690 20 0 GFADRO O=C(NCCC[NH+]1CCCC1)c1cc(=O)[nH]c2c(Br)cccc12 ZINC000175058279 552114926 /nfs/dbraw/zinc/11/49/26/552114926.db2.gz JXIYINRKAKGSIB-UHFFFAOYSA-N 1 0 378.270 2.506 20 0 GFADRO CO[C@@H](C)c1nc(CN2CC[NH+](CCCOCC(F)(F)F)CC2)cs1 ZINC000175129027 552116437 /nfs/dbraw/zinc/11/64/37/552116437.db2.gz IDBDGWBHWLITLE-ZDUSSCGKSA-N 1 0 381.464 2.937 20 0 GFADRO CC1(C)CN(C(=O)c2ccc(I)cc2Cl)CC[NH2+]1 ZINC000175390831 552120406 /nfs/dbraw/zinc/12/04/06/552120406.db2.gz TYARSAUDDYFODS-UHFFFAOYSA-N 1 0 378.641 2.769 20 0 GFADRO CC(C)OCC[NH+]1CCC(NS(=O)(=O)c2ccc(Cl)nc2Cl)CC1 ZINC000175451400 552122528 /nfs/dbraw/zinc/12/25/28/552122528.db2.gz HOWDNMPUNNTUBD-UHFFFAOYSA-N 1 0 396.340 2.556 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)Nc2c(F)cccc2Br)C1 ZINC000176094460 552135448 /nfs/dbraw/zinc/13/54/48/552135448.db2.gz XKEVOUXLORHJKO-WDEREUQCSA-N 1 0 386.265 2.516 20 0 GFADRO CN(CC[NH+](C)C)C(=O)NCC1(c2ccc(Br)cc2)CCOCC1 ZINC000176302840 552138377 /nfs/dbraw/zinc/13/83/77/552138377.db2.gz RDWNKQVCTGNHCD-UHFFFAOYSA-N 1 0 398.345 2.700 20 0 GFADRO CN(C)CC[NH+]1CCC(CNC(=O)CCc2ccc(Br)cc2)CC1 ZINC000176382133 552139707 /nfs/dbraw/zinc/13/97/07/552139707.db2.gz WEOOTUAFCDXSEM-UHFFFAOYSA-N 1 0 396.373 2.772 20 0 GFADRO C[NH+](C)CCN(Cc1cccs1)S(=O)(=O)c1c(Cl)nc2ccccn21 ZINC000176794748 552145561 /nfs/dbraw/zinc/14/55/61/552145561.db2.gz PIDBRXZCBKFMQD-UHFFFAOYSA-N 1 0 398.941 2.802 20 0 GFADRO Cc1ccc(C(=O)N2CCC(C[NH+]3CCN(C)CC3)CC2)cc1Br ZINC000176801375 552146402 /nfs/dbraw/zinc/14/64/02/552146402.db2.gz VNWTWFQQNNQMHT-UHFFFAOYSA-N 1 0 394.357 2.857 20 0 GFADRO CN1CCN(S(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)c2c[nH+]ccc21 ZINC000176977668 552148409 /nfs/dbraw/zinc/14/84/09/552148409.db2.gz GWWUFXALMZMVFR-UHFFFAOYSA-N 1 0 375.347 2.885 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)c2cc(=O)[nH]c3ccc(Br)cc32)C[N@@H+]1C1CC1 ZINC000177179644 552151350 /nfs/dbraw/zinc/15/13/50/552151350.db2.gz NIUZYVCDXQBMJY-PWSUYJOCSA-N 1 0 390.281 2.646 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)c2ccc(F)cc2I)C[N@@H+]1C1CC1 ZINC000177207080 552151969 /nfs/dbraw/zinc/15/19/69/552151969.db2.gz OOARQWHVQNKKIM-KOLCDFICSA-N 1 0 388.224 2.785 20 0 GFADRO COc1ccc(Br)cc1CNC(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000177738234 552158398 /nfs/dbraw/zinc/15/83/98/552158398.db2.gz BCYGLMZXTRSEKO-RISCZKNCSA-N 1 0 382.302 2.882 20 0 GFADRO NS(=O)(=O)CCC[NH2+]C1(c2cccc(Br)c2)CCCCC1 ZINC000177818605 552159136 /nfs/dbraw/zinc/15/91/36/552159136.db2.gz SWOAEKNUNODAIM-UHFFFAOYSA-N 1 0 375.332 2.877 20 0 GFADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)NCc2cc(Br)ccc2OC)C1 ZINC000177867414 552160374 /nfs/dbraw/zinc/16/03/74/552160374.db2.gz JQAZZPVVEFIURA-ZDUSSCGKSA-N 1 0 384.318 2.941 20 0 GFADRO Cc1c(Br)cccc1NC(=O)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000178029258 552162742 /nfs/dbraw/zinc/16/27/42/552162742.db2.gz NPUCBULRPBUZKE-OLZOCXBDSA-N 1 0 382.302 2.685 20 0 GFADRO C[C@H](Cn1cc(Br)cn1)[NH2+]C1CCN(Cc2ccncc2)CC1 ZINC000178232924 552167429 /nfs/dbraw/zinc/16/74/29/552167429.db2.gz BNFBGEUBAWTVGX-CQSZACIVSA-N 1 0 378.318 2.683 20 0 GFADRO CCN(CCC[NH2+][C@H](C)c1cc(Br)ccc1F)S(C)(=O)=O ZINC000178423675 552170354 /nfs/dbraw/zinc/17/03/54/552170354.db2.gz GKELJBXSQKUHNN-LLVKDONJSA-N 1 0 381.311 2.910 20 0 GFADRO CCOCCOc1ccc(Br)cc1/C=C/C(=O)N1CC[C@H](C[NH3+])C1 ZINC000178561384 552172582 /nfs/dbraw/zinc/17/25/82/552172582.db2.gz VSCYZSNDXFBWCJ-BOTMBNHJSA-N 1 0 397.313 2.685 20 0 GFADRO C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000178820353 552175899 /nfs/dbraw/zinc/17/58/99/552175899.db2.gz OUHZKRMGYKEXAT-KBPBESRZSA-N 1 0 386.323 2.975 20 0 GFADRO C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)C[C@H]2CCC[NH2+]2)CC1 ZINC000178821888 552176649 /nfs/dbraw/zinc/17/66/49/552176649.db2.gz AAOLUSKZLWSABU-WMLDXEAASA-N 1 0 380.330 2.796 20 0 GFADRO C[C@H]([NH3+])C1CCN(C(=O)c2ccn(-c3cccc(Br)c3)n2)CC1 ZINC000178870078 552177566 /nfs/dbraw/zinc/17/75/66/552177566.db2.gz FAOXHIXYMNTFQB-LBPRGKRZSA-N 1 0 377.286 2.834 20 0 GFADRO CN(C(=O)CCc1ncc(-c2ccccc2Br)o1)[C@@H]1CC[NH2+]C1 ZINC000179071379 552183352 /nfs/dbraw/zinc/18/33/52/552183352.db2.gz YFOBGLVTPXCSDG-GFCCVEGCSA-N 1 0 378.270 2.857 20 0 GFADRO COCCO[C@@H]1CCC[N@H+](C[C@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000179348489 552190622 /nfs/dbraw/zinc/19/06/22/552190622.db2.gz YQRSHSOTHVGCFE-LSDHHAIUSA-N 1 0 378.296 2.861 20 0 GFADRO CCC[N@H+](Cc1cn(C)c(=O)n(C)c1=O)[C@@H](C)c1ccccc1Br ZINC000179457428 552193922 /nfs/dbraw/zinc/19/39/22/552193922.db2.gz GZYHZKVNVPBNBR-ZDUSSCGKSA-N 1 0 394.313 2.820 20 0 GFADRO Cc1ccc(NC(=O)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)c(Br)n1 ZINC000179720213 552201360 /nfs/dbraw/zinc/20/13/60/552201360.db2.gz XISGKXQQMWXWEE-ZDUSSCGKSA-N 1 0 399.333 2.574 20 0 GFADRO C[C@@H]([NH2+]CC1CCN(S(C)(=O)=O)CC1)c1nc2ccc(Cl)cc2n1C ZINC000180075673 552212362 /nfs/dbraw/zinc/21/23/62/552212362.db2.gz ZFXREPSDQCYGSQ-GFCCVEGCSA-N 1 0 384.933 2.549 20 0 GFADRO CCO[C@H](CC[NH+](C)C)CNC(=O)C[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000180139541 552214269 /nfs/dbraw/zinc/21/42/69/552214269.db2.gz CIPZRYVWVRJVLB-CVEARBPZSA-N 1 0 377.312 2.890 20 0 GFADRO CCn1ccnc1[C@H](NC[C@H](C)O)c1ccc(I)cc1 ZINC000180156197 552215322 /nfs/dbraw/zinc/21/53/22/552215322.db2.gz NGTKGCYWPLJJEL-SMDDNHRTSA-N 1 0 385.249 2.567 20 0 GFADRO COCC[C@](C)(O)C[NH2+]C1CCN(Cc2ccccc2Br)CC1 ZINC000180261590 552219699 /nfs/dbraw/zinc/21/96/99/552219699.db2.gz UDSQJBYAWBTTPE-SFHVURJKSA-N 1 0 385.346 2.791 20 0 GFADRO O=S(=O)(CC[NH2+]C1CCN(c2nccs2)CC1)c1ccc(Cl)cc1 ZINC000180444640 552226274 /nfs/dbraw/zinc/22/62/74/552226274.db2.gz MYKIAONHPMAOAP-UHFFFAOYSA-N 1 0 385.942 2.829 20 0 GFADRO C[C@@H]([NH2+]Cc1cncc(Br)c1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000180530538 552229244 /nfs/dbraw/zinc/22/92/44/552229244.db2.gz WSVZVSJIKQLQAG-GFCCVEGCSA-N 1 0 398.326 2.945 20 0 GFADRO Cc1cc(C(=O)NC[C@](C)(O)C[NH+](C)C)nn1-c1ccc(Cl)cc1Cl ZINC000180778054 552235555 /nfs/dbraw/zinc/23/55/55/552235555.db2.gz AHMCNQDHUPRLQH-KRWDZBQOSA-N 1 0 385.295 2.530 20 0 GFADRO CC(C)Sc1cc(Br)ccc1C[NH2+]CCCNS(C)(=O)=O ZINC000180784503 552235592 /nfs/dbraw/zinc/23/55/92/552235592.db2.gz WZKQWZSVCQNFSY-UHFFFAOYSA-N 1 0 395.388 2.979 20 0 GFADRO CCS(=O)(=O)C[C@H](C)[NH2+][C@@H](C)c1ccc(I)cc1 ZINC000180826301 552236949 /nfs/dbraw/zinc/23/69/49/552236949.db2.gz VRRUKATZWGZPGV-QWRGUYRKSA-N 1 0 381.279 2.765 20 0 GFADRO Cc1cc(C[NH2+]C2CCN(S(=O)(=O)C3CCOCC3)CC2)ccc1Cl ZINC000180962571 552241208 /nfs/dbraw/zinc/24/12/08/552241208.db2.gz RLXZTJFFMOEHIT-UHFFFAOYSA-N 1 0 386.945 2.711 20 0 GFADRO C[C@@H](Cn1cc(Br)cn1)[NH2+]CCc1nc2cc(F)ccc2n1C ZINC000181003190 552242509 /nfs/dbraw/zinc/24/25/09/552242509.db2.gz FOUNJQNDKFGNKS-NSHDSACASA-N 1 0 380.265 2.892 20 0 GFADRO CN(Cc1cc(Br)cs1)C(=O)C[N@H+](C)CCCn1ccnc1 ZINC000181107884 552246890 /nfs/dbraw/zinc/24/68/90/552246890.db2.gz WVOOKJDRGPLJTN-UHFFFAOYSA-N 1 0 385.331 2.688 20 0 GFADRO C[C@H]([NH2+]CC(=O)NC1CCC2(CC1)OCCO2)c1ccc(Br)cc1 ZINC000181132136 552247738 /nfs/dbraw/zinc/24/77/38/552247738.db2.gz GPNBXODXDDPKEU-ZDUSSCGKSA-N 1 0 397.313 2.902 20 0 GFADRO COCc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1ccc(OC)c(Br)c1)CC2 ZINC000181293868 552252358 /nfs/dbraw/zinc/25/23/58/552252358.db2.gz SRYAKTGHBIFLEM-AAEUAGOBSA-N 1 0 395.301 2.861 20 0 GFADRO C[NH+]1CCC(NC(=O)C(=O)Nc2ccc(Br)c3ccccc23)CC1 ZINC000181341751 552253351 /nfs/dbraw/zinc/25/33/51/552253351.db2.gz UQHHCVSPMBUTKE-UHFFFAOYSA-N 1 0 390.281 2.751 20 0 GFADRO C[C@H]([NH2+][C@H](CO)c1cccc(Br)c1)c1ccc(-n2cnnn2)cc1 ZINC000181392275 552255541 /nfs/dbraw/zinc/25/55/41/552255541.db2.gz SHMSZYXPRPPDTO-YVEFUNNKSA-N 1 0 388.269 2.809 20 0 GFADRO COc1ccc(OC)c([C@@H](C)[NH2+]CCNS(=O)(=O)c2ccc(C)s2)c1 ZINC000181511673 552258891 /nfs/dbraw/zinc/25/88/91/552258891.db2.gz KGWCOUBQDOIGDJ-CYBMUJFWSA-N 1 0 384.523 2.703 20 0 GFADRO COC1(C[NH2+][C@@H](C)CC(=O)Nc2ccc(Br)cc2)CCOCC1 ZINC000181546066 552260432 /nfs/dbraw/zinc/26/04/32/552260432.db2.gz PTRFOBSKYGRTII-ZDUSSCGKSA-N 1 0 385.302 2.951 20 0 GFADRO C[C@H]([NH2+]CCN1C(=O)NC2(CCCC2)C1=O)c1ccccc1Br ZINC000181569789 552261096 /nfs/dbraw/zinc/26/10/96/552261096.db2.gz WRXCCXZFHOKVJE-LBPRGKRZSA-N 1 0 380.286 2.964 20 0 GFADRO C[C@H]([NH2+]C[C@H]1CCCN1S(C)(=O)=O)c1ccc(F)c(Br)c1 ZINC000181693650 552265178 /nfs/dbraw/zinc/26/51/78/552265178.db2.gz OCCWJJSZSBFKLJ-CMPLNLGQSA-N 1 0 379.295 2.663 20 0 GFADRO C[C@H]([NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1)c1ccc(F)c(Br)c1 ZINC000181681098 552265217 /nfs/dbraw/zinc/26/52/17/552265217.db2.gz VMAVNVBWZYZJMB-QWRGUYRKSA-N 1 0 379.295 2.520 20 0 GFADRO C[C@H]([NH2+]C[C@H]1CCCN1S(C)(=O)=O)c1ccc(F)cc1Br ZINC000181693223 552265526 /nfs/dbraw/zinc/26/55/26/552265526.db2.gz SDJVGLRWHBJVKU-CMPLNLGQSA-N 1 0 379.295 2.663 20 0 GFADRO C[C@@H]([NH2+]CC1CCS(=O)(=O)CC1)c1ccc(I)cc1 ZINC000181761758 552266867 /nfs/dbraw/zinc/26/68/67/552266867.db2.gz VZGKCEMALXJFSA-LLVKDONJSA-N 1 0 393.290 2.767 20 0 GFADRO COc1ccc([C@@H](C)[NH2+]CC(=O)NCc2cccnc2)cc1Br ZINC000182067333 552274475 /nfs/dbraw/zinc/27/44/75/552274475.db2.gz PVQLJOUYAICJSZ-GFCCVEGCSA-N 1 0 378.270 2.820 20 0 GFADRO COC(=O)CC[N@@H+]1CCN(C[C@H](O)c2ccc(Cl)cc2Cl)[C@H](C)C1 ZINC000182120712 552275830 /nfs/dbraw/zinc/27/58/30/552275830.db2.gz DSWPEHKTULCHGR-WBMJQRKESA-N 1 0 375.296 2.596 20 0 GFADRO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1cc2c(cc1Br)OCCCO2 ZINC000182221608 552278306 /nfs/dbraw/zinc/27/83/06/552278306.db2.gz HEHORFVETVVBJL-NEPJUHHUSA-N 1 0 383.286 2.696 20 0 GFADRO CC[C@@H]([NH2+]CC(=O)Nc1cccc(I)c1)[C@H]1CCCO1 ZINC000182298248 552280766 /nfs/dbraw/zinc/28/07/66/552280766.db2.gz FLOVFOQPQPAFRP-ZIAGYGMSSA-N 1 0 388.249 2.777 20 0 GFADRO CS(=O)(=O)NCCC[NH2+][C@@H](c1ccco1)c1ccc(Br)cc1 ZINC000182530267 552286690 /nfs/dbraw/zinc/28/66/90/552286690.db2.gz RTEUHEGOCYSGHY-OAHLLOKOSA-N 1 0 387.299 2.660 20 0 GFADRO O=C(NCC1CC[NH+](CCO)CC1)Nc1cc(F)c(Br)c(F)c1 ZINC000182551494 552287048 /nfs/dbraw/zinc/28/70/48/552287048.db2.gz OTWAZBZPNFRFPW-UHFFFAOYSA-N 1 0 392.244 2.553 20 0 GFADRO CC[C@H]([NH2+][C@@H](C)C(=O)N(CC)[C@@H]1CCS(=O)(=O)C1)c1cccc(Cl)c1 ZINC000182589075 552288100 /nfs/dbraw/zinc/28/81/00/552288100.db2.gz PCUDOVWQMMVVGC-XKQJLSEDSA-N 1 0 386.945 2.805 20 0 GFADRO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)c1cccc(Br)n1 ZINC000182633274 552289592 /nfs/dbraw/zinc/28/95/92/552289592.db2.gz KPJCUYDPIUCAGR-HIFRSBDPSA-N 1 0 389.297 2.880 20 0 GFADRO C[C@H]([NH2+][C@@H](C)[C@H]1CCCO1)C(=O)Nc1ccc(I)cc1 ZINC000183096629 552300410 /nfs/dbraw/zinc/30/04/10/552300410.db2.gz AWIOOYVSNJTYAI-COPLHBTASA-N 1 0 388.249 2.775 20 0 GFADRO Cc1cc(I)ccc1NC(=O)C[NH2+][C@@H](C)[C@H]1CCCO1 ZINC000183139290 552301348 /nfs/dbraw/zinc/30/13/48/552301348.db2.gz LNLDQYHDJCDINV-SMDDNHRTSA-N 1 0 388.249 2.695 20 0 GFADRO C[C@H](O)[C@H]1CC[N@H+](CCCOc2cccc(I)c2)C1 ZINC000183178875 552302345 /nfs/dbraw/zinc/30/23/45/552302345.db2.gz USNVWPTZQRADRP-STQMWFEESA-N 1 0 375.250 2.763 20 0 GFADRO CC(C)[C@@H]([NH3+])CCN(C)S(=O)(=O)c1cc(N(C)C)ccc1Br ZINC000183192870 552302432 /nfs/dbraw/zinc/30/24/32/552302432.db2.gz ABDUVWZCZOPHSN-AWEZNQCLSA-N 1 0 392.363 2.509 20 0 GFADRO CC[NH+]1CCN(CCCNC(=O)c2cccc(Br)c2Cl)CC1 ZINC000183250781 552303768 /nfs/dbraw/zinc/30/37/68/552303768.db2.gz BYZPSMTVVYZUPP-UHFFFAOYSA-N 1 0 388.737 2.860 20 0 GFADRO CC(=O)N[C@H](CC(=O)NCC1(C)CC[NH2+]CC1)c1ccc(Br)cc1 ZINC000183329974 552306242 /nfs/dbraw/zinc/30/62/42/552306242.db2.gz WQHYZEVUAXWBDQ-MRXNPFEDSA-N 1 0 396.329 2.522 20 0 GFADRO Cc1ccc(Br)c(NC(=O)C(=O)NCC2(C[NH+](C)C)CCCC2)c1 ZINC000183353215 552306542 /nfs/dbraw/zinc/30/65/42/552306542.db2.gz DDAISOJPXCGFQO-UHFFFAOYSA-N 1 0 396.329 2.934 20 0 GFADRO CN(C)c1cc[nH+]cc1C(=O)N[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000183532989 552312444 /nfs/dbraw/zinc/31/24/44/552312444.db2.gz QTILHHQLSVSWBW-CQSZACIVSA-N 1 0 389.297 2.919 20 0 GFADRO C[N@@H+]1CCC[C@H](CNC(=O)N2CCc3c(Br)ccc(F)c3C2)C1 ZINC000183694241 552316823 /nfs/dbraw/zinc/31/68/23/552316823.db2.gz TZKWFHQQRBZNIA-GFCCVEGCSA-N 1 0 384.293 2.998 20 0 GFADRO C[C@@H](C[N@H+](C)CCOc1ccc(S(=O)(=O)N(C)C)cc1)c1nccs1 ZINC000183937747 552323146 /nfs/dbraw/zinc/32/31/46/552323146.db2.gz UDNGSJOOYRNBJS-AWEZNQCLSA-N 1 0 383.539 2.508 20 0 GFADRO Cn1cc(C[NH2+]CCNS(=O)(=O)c2cccs2)c(C2CCCCC2)n1 ZINC000184038919 552325816 /nfs/dbraw/zinc/32/58/16/552325816.db2.gz WDDBCNFGUXICRO-UHFFFAOYSA-N 1 0 382.555 2.597 20 0 GFADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)c1cc2ccc(Br)cc2[nH]1 ZINC000184063147 552326959 /nfs/dbraw/zinc/32/69/59/552326959.db2.gz XJJTVXMLVXDYPX-ZDUSSCGKSA-N 1 0 393.329 2.686 20 0 GFADRO CC[N@H+](CCNC(=O)C(=O)Nc1cc(Cl)cc(C(F)(F)F)c1)C1CC1 ZINC000184312948 552332267 /nfs/dbraw/zinc/33/22/67/552332267.db2.gz ASQQXYWPKDVPIZ-UHFFFAOYSA-N 1 0 377.794 2.898 20 0 GFADRO C[C@H](CCN1CC[NH+](C)CC1)NC(=O)c1cc2cc(Br)ccc2o1 ZINC000184343322 552332558 /nfs/dbraw/zinc/33/25/58/552332558.db2.gz UUMMKVARNBQLKC-CYBMUJFWSA-N 1 0 394.313 2.951 20 0 GFADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)c1ccc(Cl)cc1Br ZINC000184411709 552335362 /nfs/dbraw/zinc/33/53/62/552335362.db2.gz UNPWSAZLWZZCMN-GFCCVEGCSA-N 1 0 388.737 2.858 20 0 GFADRO C[C@@H]1CCCN1S(=O)(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000184974846 552350066 /nfs/dbraw/zinc/35/00/66/552350066.db2.gz HQCYMCOZIDOKNJ-OAHLLOKOSA-N 1 0 385.961 2.871 20 0 GFADRO Cc1nc(C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)nn1-c1c(Cl)cccc1Cl ZINC000184979343 552350170 /nfs/dbraw/zinc/35/01/70/552350170.db2.gz HIYDRIMXNDNCFA-MISXGVKJSA-N 1 0 380.279 2.692 20 0 GFADRO O=S(=O)(C1CC1)N1CCC([NH2+]Cc2sccc2Br)CC1 ZINC000185043095 552352005 /nfs/dbraw/zinc/35/20/05/552352005.db2.gz YCANJVSDZOUZMK-UHFFFAOYSA-N 1 0 379.345 2.557 20 0 GFADRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)c3nn(-c4ccc(F)cc4)cc3Br)C[C@@H]12 ZINC000185061548 552353031 /nfs/dbraw/zinc/35/30/31/552353031.db2.gz AXMRSYMETNLBQE-PSOPSSQASA-N 1 0 393.260 2.583 20 0 GFADRO C[NH+](C)CCOc1ccccc1CNC(=O)c1ccc(Br)cc1N ZINC000185254080 552358831 /nfs/dbraw/zinc/35/88/31/552358831.db2.gz NBMVQTXORZEPEH-UHFFFAOYSA-N 1 0 392.297 2.902 20 0 GFADRO CC(C)C[C@@H](CO)[N@H+](C)CC(=O)N(C)Cc1cc(Br)cs1 ZINC000185363569 552361452 /nfs/dbraw/zinc/36/14/52/552361452.db2.gz OJLXGAQCJKZJAX-ZDUSSCGKSA-N 1 0 377.348 2.808 20 0 GFADRO CC(C)C[C@@H](CO)[N@H+](C)CC(=O)Nc1ccc(I)cc1 ZINC000185355660 552361521 /nfs/dbraw/zinc/36/15/21/552361521.db2.gz WIJUCKUDMXJXFW-AWEZNQCLSA-N 1 0 390.265 2.569 20 0 GFADRO CN(CCC[NH+](C)C)C(=O)NC[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000185617213 552367595 /nfs/dbraw/zinc/36/75/95/552367595.db2.gz UDZCBVHHLYRVQB-OAHLLOKOSA-N 1 0 397.361 2.869 20 0 GFADRO COc1ccc(OCC(=O)NC2CC[NH+](C(C)C)CC2)c(Br)c1 ZINC000185912751 552374118 /nfs/dbraw/zinc/37/41/18/552374118.db2.gz GFHNQQWWKHERPL-UHFFFAOYSA-N 1 0 385.302 2.826 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ncc(Br)cc1Br ZINC000186391609 552386949 /nfs/dbraw/zinc/38/69/49/552386949.db2.gz NUHNFZHSFSRHEM-SNVBAGLBSA-N 1 0 391.107 2.821 20 0 GFADRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 ZINC000186817489 552398803 /nfs/dbraw/zinc/39/88/03/552398803.db2.gz QMTXPEMNNXVAHX-RLCCDNCMSA-N 1 0 384.307 2.712 20 0 GFADRO CCCOc1c(Br)cc(C(=O)N[C@H]2C[NH2+]CC[C@@H]2C)cc1OC ZINC000186834337 552398963 /nfs/dbraw/zinc/39/89/63/552398963.db2.gz ZGZHXXPYSBAZPE-FZMZJTMJSA-N 1 0 385.302 2.974 20 0 GFADRO CCCNC(=O)C[C@H](C(N)=O)[N@H+](CCC)Cc1ccc(Br)cc1C ZINC000186877065 552400213 /nfs/dbraw/zinc/40/02/13/552400213.db2.gz DGWUGNBBICSDKB-MRXNPFEDSA-N 1 0 398.345 2.740 20 0 GFADRO Cc1nn(-c2ccc(C(=O)N[C@@H]3C[NH2+]CC[C@@H]3C)cc2)c(C)c1Br ZINC000186891433 552400661 /nfs/dbraw/zinc/40/06/61/552400661.db2.gz MMLYGEWXKIVNPJ-MEDUHNTESA-N 1 0 391.313 2.979 20 0 GFADRO CC(C)n1cc(Br)cc1C(=O)N1CC[N@H+](CC(C)(C)O)C[C@@H]1C ZINC000186943442 552402400 /nfs/dbraw/zinc/40/24/00/552402400.db2.gz HTMPSHCQAPSCBG-ZDUSSCGKSA-N 1 0 386.334 2.749 20 0 GFADRO CCO[C@@H]1C[C@]([NH3+])(C(=O)NCCc2ccc(Br)s2)C1(C)C ZINC000187296073 552411386 /nfs/dbraw/zinc/41/13/86/552411386.db2.gz MFEWFZCWEZSFSP-ABAIWWIYSA-N 1 0 375.332 2.702 20 0 GFADRO CN1C[C@H]([NH2+]Cc2cc(Br)cc(Br)c2N)CCC1=O ZINC000187402801 552414944 /nfs/dbraw/zinc/41/49/44/552414944.db2.gz CKKZMTVKERTVBC-SNVBAGLBSA-N 1 0 391.107 2.504 20 0 GFADRO CCO[C@H]1C[C@]([NH3+])(C(=O)N2CCc3cccc(Br)c3C2)C1(C)C ZINC000187806738 552424612 /nfs/dbraw/zinc/42/46/12/552424612.db2.gz NTHNUVKCXZALGV-YJBOKZPZSA-N 1 0 381.314 2.866 20 0 GFADRO COc1cc(Br)ccc1CNC(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000187852007 552426477 /nfs/dbraw/zinc/42/64/77/552426477.db2.gz ZVZIXANTKWBERY-ZDUSSCGKSA-N 1 0 384.318 2.941 20 0 GFADRO C[C@@H]1CC[C@](CO)([N@H+](C)CC(=O)N(C)Cc2cc(Br)cs2)C1 ZINC000188017348 552431481 /nfs/dbraw/zinc/43/14/81/552431481.db2.gz PZTBWUZBZJTWLY-WBMJQRKESA-N 1 0 389.359 2.952 20 0 GFADRO Cc1cc(Br)cc(NC(=O)C(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)c1 ZINC000188098897 552435126 /nfs/dbraw/zinc/43/51/26/552435126.db2.gz BMMQDAUMTFAGPY-AWEZNQCLSA-N 1 0 396.329 2.933 20 0 GFADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2cc(Br)c(C)cc2C)C1 ZINC000188111976 552435700 /nfs/dbraw/zinc/43/57/00/552435700.db2.gz PPDHXCCZYQAFGC-AWEZNQCLSA-N 1 0 396.329 2.805 20 0 GFADRO CC(=O)Nc1cc(F)c(S(=O)(=O)N[C@H](C)C[NH+]2CCCCC2)cc1Cl ZINC000188214981 552439008 /nfs/dbraw/zinc/43/90/08/552439008.db2.gz OQQYAHFXRMWJML-LLVKDONJSA-N 1 0 391.896 2.590 20 0 GFADRO COc1nc(C)c(Br)cc1C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000188226472 552439626 /nfs/dbraw/zinc/43/96/26/552439626.db2.gz BKVCXGQEASELOU-DOMZBBRYSA-N 1 0 382.302 2.717 20 0 GFADRO C[C@@H](Cc1ccc(Br)cc1)[NH2+]CCS(=O)(=O)NCC1CCC1 ZINC000188276654 552441166 /nfs/dbraw/zinc/44/11/66/552441166.db2.gz SJHVUEVPWHWRPH-ZDUSSCGKSA-N 1 0 389.359 2.689 20 0 GFADRO CC[NH+](CC)Cc1ccc(NC(=O)CNS(=O)(=O)c2cccs2)cc1 ZINC000188354647 552443305 /nfs/dbraw/zinc/44/33/05/552443305.db2.gz FHUBOEHYIXVVBL-UHFFFAOYSA-N 1 0 381.523 2.507 20 0 GFADRO O=C(Nc1cccc(Br)n1)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000188575125 552448800 /nfs/dbraw/zinc/44/88/00/552448800.db2.gz FEANYCQEWZQWHP-UONOGXRCSA-N 1 0 397.317 2.734 20 0 GFADRO C[C@H]1CN(C(=O)COc2ccc(Cl)c(Cl)c2)CC[N@@H+]1CC(C)(C)O ZINC000188605523 552450025 /nfs/dbraw/zinc/45/00/25/552450025.db2.gz DKAMFFBYNCWBBF-LBPRGKRZSA-N 1 0 375.296 2.676 20 0 GFADRO COc1ccc(Br)cc1CC(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000188687648 552451865 /nfs/dbraw/zinc/45/18/65/552451865.db2.gz NADXTHCFRSVTPP-UHFFFAOYSA-N 1 0 375.266 2.920 20 0 GFADRO C[N@H+](Cc1cnn(-c2ccc(Br)cc2)c1)CC1(O)CCOCC1 ZINC000188833412 552456316 /nfs/dbraw/zinc/45/63/16/552456316.db2.gz ADMCQWZKEXIIQC-UHFFFAOYSA-N 1 0 380.286 2.608 20 0 GFADRO Fc1cc(Br)cc(OCC[N@@H+]2CCC[C@H](Cn3ccnn3)C2)c1 ZINC000189264995 552466897 /nfs/dbraw/zinc/46/68/97/552466897.db2.gz DEVJBLOPOSXGRZ-ZDUSSCGKSA-N 1 0 383.265 2.971 20 0 GFADRO O=C(Nc1ccccc1Br)C(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000189381694 552470326 /nfs/dbraw/zinc/47/03/26/552470326.db2.gz AIGATWSEBKXMPD-CQSZACIVSA-N 1 0 394.313 2.865 20 0 GFADRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1Cc1nc2cc(Br)ccc2[nH]1 ZINC000189446281 552472137 /nfs/dbraw/zinc/47/21/37/552472137.db2.gz PRXZRDJBQKWNLR-LBPRGKRZSA-N 1 0 381.318 2.602 20 0 GFADRO O[C@@]1(C[NH2+]Cc2cnc(N3CCOCC3)s2)CCC[C@@H](C(F)(F)F)C1 ZINC000189612954 552475946 /nfs/dbraw/zinc/47/59/46/552475946.db2.gz NUAVWMPLZSBQMJ-DOMZBBRYSA-N 1 0 379.448 2.553 20 0 GFADRO Cc1ccc(CC(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)cc1Br ZINC000189685700 552477669 /nfs/dbraw/zinc/47/76/69/552477669.db2.gz HLOKKWCCMBVJIM-HUUCEWRRSA-N 1 0 383.330 2.916 20 0 GFADRO C[N@H+](CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)CC1(O)CCOCC1 ZINC000189753362 552479463 /nfs/dbraw/zinc/47/94/63/552479463.db2.gz STTFCIDUBDXXFQ-UHFFFAOYSA-N 1 0 380.794 2.771 20 0 GFADRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1csc(C(F)(F)F)n1 ZINC000189910555 552482724 /nfs/dbraw/zinc/48/27/24/552482724.db2.gz FPHIXPIZWKTSGP-CHWSQXEVSA-N 1 0 377.432 2.660 20 0 GFADRO C[C@@H](C(=O)Nc1ccc(Br)cc1)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000189920045 552482986 /nfs/dbraw/zinc/48/29/86/552482986.db2.gz SMIRAQIKPKOJLF-KGLIPLIRSA-N 1 0 398.345 2.553 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)C(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000190010157 552484855 /nfs/dbraw/zinc/48/48/55/552484855.db2.gz GVIZKMPERHQARQ-HNNXBMFYSA-N 1 0 394.313 2.783 20 0 GFADRO Cc1cc(F)c(Br)cc1S(=O)(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000190007536 552484984 /nfs/dbraw/zinc/48/49/84/552484984.db2.gz YXORCUUFGFBSMI-NEPJUHHUSA-N 1 0 393.322 3.000 20 0 GFADRO CCc1nnc(NC(=O)N2CC[C@H](C[N@H+](C)Cc3scnc3C)C2)s1 ZINC000190452253 552496990 /nfs/dbraw/zinc/49/69/90/552496990.db2.gz YCLRMIMYXJUZDF-GFCCVEGCSA-N 1 0 380.543 2.851 20 0 GFADRO CS(=O)(=O)N1CCC([NH2+][C@@H](c2ccc(Br)s2)C2CC2)CC1 ZINC000190579323 552501849 /nfs/dbraw/zinc/50/18/49/552501849.db2.gz QJIGEGIXCGCYJX-CQSZACIVSA-N 1 0 393.372 2.975 20 0 GFADRO Cc1cc(NC(=O)C(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)cc(C)c1Br ZINC000190617130 552503237 /nfs/dbraw/zinc/50/32/37/552503237.db2.gz YTSQKFRPXWPIBO-GXTWGEPZSA-N 1 0 394.313 2.746 20 0 GFADRO C[NH+](C)C[C@@H]1CCN(S(=O)(=O)c2cc(Cl)c(Br)cc2F)C1 ZINC000190726373 552506787 /nfs/dbraw/zinc/50/67/87/552506787.db2.gz ZNASNZFOOSMTIF-VIFPVBQESA-N 1 0 399.713 2.814 20 0 GFADRO CCCCOCC(=O)Nc1ccc(CN2CC[NH+](C)CC2)c(Br)c1 ZINC000191084226 552518024 /nfs/dbraw/zinc/51/80/24/552518024.db2.gz VPJGYFFWUHWRFK-UHFFFAOYSA-N 1 0 398.345 2.952 20 0 GFADRO CCS(=O)(=O)CCCCC[NH2+][C@@H](CO)c1cccc(Br)c1 ZINC000191077904 552518090 /nfs/dbraw/zinc/51/80/90/552518090.db2.gz CZYLZMLYJIYCKG-HNNXBMFYSA-N 1 0 378.332 2.677 20 0 GFADRO CS(=O)(=O)N1CC[C@@H](C[NH2+]Cc2cc(Br)c(Cl)s2)C1 ZINC000191473204 552529882 /nfs/dbraw/zinc/52/98/82/552529882.db2.gz PXDXGJCUTQWVDL-QMMMGPOBSA-N 1 0 387.752 2.535 20 0 GFADRO CCS(=O)(=O)N1CC(C[NH2+]Cc2cc(Br)c(Cl)s2)C1 ZINC000191621509 552533690 /nfs/dbraw/zinc/53/36/90/552533690.db2.gz BFVDCTNBKGJSLM-UHFFFAOYSA-N 1 0 387.752 2.535 20 0 GFADRO Brc1ccc(CN2CC[C@H]([NH+]3CCCC3)C2)c(N2CCOCC2)c1 ZINC000191636076 552534025 /nfs/dbraw/zinc/53/40/25/552534025.db2.gz CHMYISCYMQYUON-SFHVURJKSA-N 1 0 394.357 2.956 20 0 GFADRO Cc1c(Br)cccc1CC(=O)NCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000191642364 552534187 /nfs/dbraw/zinc/53/41/87/552534187.db2.gz QMNBTIAUNDDFSH-KBPBESRZSA-N 1 0 383.330 2.916 20 0 GFADRO O=C(c1cccc(Br)c1F)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000191939959 552543197 /nfs/dbraw/zinc/54/31/97/552543197.db2.gz KXCYWOWZLCGLCS-UHFFFAOYSA-N 1 0 385.277 2.773 20 0 GFADRO Cn1nc(Br)cc1C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000191963312 552544519 /nfs/dbraw/zinc/54/45/19/552544519.db2.gz UQIRHOHAHYJOAK-UHFFFAOYSA-N 1 0 391.313 2.825 20 0 GFADRO COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000192033683 552546589 /nfs/dbraw/zinc/54/65/89/552546589.db2.gz YQXXNJPOMPNPLL-UHFFFAOYSA-N 1 0 388.295 2.931 20 0 GFADRO CC[N@H+](CCNC(=O)C(=O)Nc1cccc(Cl)c1Br)C1CC1 ZINC000192033416 552546731 /nfs/dbraw/zinc/54/67/31/552546731.db2.gz UWCWXJNYKNEEHS-UHFFFAOYSA-N 1 0 388.693 2.642 20 0 GFADRO COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000192089867 552550297 /nfs/dbraw/zinc/55/02/97/552550297.db2.gz BKEKWPOTKTWGNC-NXEZZACHSA-N 1 0 386.279 2.682 20 0 GFADRO O=S(=O)(NC[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(Cl)c(Br)c1 ZINC000192187378 552555289 /nfs/dbraw/zinc/55/52/89/552555289.db2.gz KWQUDVHVRDBDFZ-JTQLQIEISA-N 1 0 393.734 2.865 20 0 GFADRO Cc1ccc(NC(=O)C(=O)N2CCc3cc(Br)ccc3C2)c(C)n1 ZINC000192213523 552556359 /nfs/dbraw/zinc/55/63/59/552556359.db2.gz IEIOIBOLXKOPFG-UHFFFAOYSA-N 1 0 388.265 2.984 20 0 GFADRO CC[NH+](CC)CCNC(=O)Nc1ccc(OC)cc1I ZINC000192432176 552563548 /nfs/dbraw/zinc/56/35/48/552563548.db2.gz HSGDWQYUGRFLAO-UHFFFAOYSA-N 1 0 391.253 2.763 20 0 GFADRO CC[NH+](CC)CCCNC(=O)C(=O)Nc1ccc(Br)c(C)c1F ZINC000192491075 552565283 /nfs/dbraw/zinc/56/52/83/552565283.db2.gz BOURTLJBOIUJNQ-UHFFFAOYSA-N 1 0 388.281 2.683 20 0 GFADRO Cc1nc(C(=O)N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)nn1-c1c(Cl)cccc1Cl ZINC000192526289 552566406 /nfs/dbraw/zinc/56/64/06/552566406.db2.gz PAVMRTZATFXGSA-TXEJJXNPSA-N 1 0 380.279 2.516 20 0 GFADRO CC[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2cc(C)cc(Br)c2)C1 ZINC000444037378 563818254 /nfs/dbraw/zinc/81/82/54/563818254.db2.gz ZMPOGRWRFGALJK-ZDUSSCGKSA-N 1 0 375.332 2.768 20 0 GFADRO C[NH+]1CCC(CCO)(NC(=O)c2cc(Cl)cc(Br)c2F)CC1 ZINC000444346660 563828953 /nfs/dbraw/zinc/82/89/53/563828953.db2.gz VWBDZTNUMLIOPI-UHFFFAOYSA-N 1 0 393.684 2.818 20 0 GFADRO COc1ccc(Br)c(C(=O)NCCC[NH2+][C@@H](C)c2ccnn2C)c1 ZINC000192849253 552976112 /nfs/dbraw/zinc/97/61/12/552976112.db2.gz VIOYJPBHFUKIDM-LBPRGKRZSA-N 1 0 395.301 2.662 20 0 GFADRO COc1ccc(S(=O)(=O)N[C@@H](C)C[NH+]2CCCCC2)cc1Br ZINC000193095902 552983292 /nfs/dbraw/zinc/98/32/92/552983292.db2.gz FYYWQKAKHXJDNP-LBPRGKRZSA-N 1 0 391.331 2.610 20 0 GFADRO Cc1cc(NC(=O)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)ncc1Br ZINC000193273493 552988329 /nfs/dbraw/zinc/98/83/29/552988329.db2.gz QUJZGTFUOCXVBV-ZDUSSCGKSA-N 1 0 399.333 2.574 20 0 GFADRO Cc1nc(NC(=O)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)ccc1Br ZINC000193273393 552988364 /nfs/dbraw/zinc/98/83/64/552988364.db2.gz KDHJZEBJJNPNEJ-ZDUSSCGKSA-N 1 0 399.333 2.574 20 0 GFADRO CC[NH2+]CC1CCN(S(=O)(=O)c2cc(Br)c(F)cc2C)CC1 ZINC000193299695 552989488 /nfs/dbraw/zinc/98/94/88/552989488.db2.gz OAATYUYPLIQUOY-UHFFFAOYSA-N 1 0 393.322 2.907 20 0 GFADRO CCCC[C@@H](C[NH3+])NS(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC000193305485 552989597 /nfs/dbraw/zinc/98/95/97/552989597.db2.gz SNBDJCPZQUHOSL-ZFWWWQNUSA-N 1 0 390.933 2.551 20 0 GFADRO COCC[NH2+]CCNS(=O)(=O)c1ccc(Oc2cccc(Cl)c2)cc1 ZINC000193362029 552991289 /nfs/dbraw/zinc/99/12/89/552991289.db2.gz MJDODYIWUAIKKT-UHFFFAOYSA-N 1 0 384.885 2.647 20 0 GFADRO CC1(CNS(=O)(=O)c2cc(Br)ccc2Cl)CC[NH2+]CC1 ZINC000193377324 552991607 /nfs/dbraw/zinc/99/16/07/552991607.db2.gz BMNVXGSNQNYXCF-UHFFFAOYSA-N 1 0 381.723 2.771 20 0 GFADRO COc1cc(CNC(=O)c2ccoc2Br)ccc1OCC[NH+](C)C ZINC000193478022 552994540 /nfs/dbraw/zinc/99/45/40/552994540.db2.gz PIFGPSWXXURZGG-UHFFFAOYSA-N 1 0 397.269 2.921 20 0 GFADRO CCN(CCC[NH+](C)C)C(=O)C(=O)Nc1ccc(Br)c(C)c1F ZINC000193508714 552995003 /nfs/dbraw/zinc/99/50/03/552995003.db2.gz PRSMUOFJUJWLEI-UHFFFAOYSA-N 1 0 388.281 2.635 20 0 GFADRO [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)CCSc1ccccc1Cl ZINC000193668735 552999708 /nfs/dbraw/zinc/99/97/08/552999708.db2.gz CIUCRZXWBXTHIM-CQSZACIVSA-N 1 0 383.945 2.668 20 0 GFADRO O=S(=O)(C1CC1)N1CCC([NH2+][C@H]2CCc3ccc(Br)cc32)CC1 ZINC000193994455 553009142 /nfs/dbraw/zinc/00/91/42/553009142.db2.gz QIAXWURASNMACO-KRWDZBQOSA-N 1 0 399.354 2.983 20 0 GFADRO Cn1ccc(N2CCC[C@@H]([NH2+][C@H]3CCc4ccc(Br)cc43)C2=O)n1 ZINC000193993938 553009518 /nfs/dbraw/zinc/00/95/18/553009518.db2.gz PRSXCWQHZLLTLY-JKSUJKDBSA-N 1 0 389.297 2.955 20 0 GFADRO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@@H](C)CN1CCCC1=O ZINC000194067131 553011102 /nfs/dbraw/zinc/01/11/02/553011102.db2.gz JZZLAGLPQNEGIG-OLZOCXBDSA-N 1 0 382.302 2.767 20 0 GFADRO CN(C)C(=O)[C@H]1CC[C@@H](C[NH2+]C2CC(c3ccc(Br)cc3)C2)O1 ZINC000194133697 553012842 /nfs/dbraw/zinc/01/28/42/553012842.db2.gz DTRVPYHQPWLJQR-MHVXSEJMSA-N 1 0 381.314 2.921 20 0 GFADRO COCCC[N@H+](C)CCNC(=O)Nc1ccc(Br)c(C)c1F ZINC000194190772 553014547 /nfs/dbraw/zinc/01/45/47/553014547.db2.gz CMOWLYBBVDOWOS-UHFFFAOYSA-N 1 0 376.270 2.986 20 0 GFADRO COCC[N@H+](C)CCCNC(=O)c1cc2c(cc(Br)cc2F)[nH]1 ZINC000194583517 553024628 /nfs/dbraw/zinc/02/46/28/553024628.db2.gz ZUWYCZFZMZEUJZ-UHFFFAOYSA-N 1 0 386.265 2.768 20 0 GFADRO C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl ZINC000194704120 553027574 /nfs/dbraw/zinc/02/75/74/553027574.db2.gz FIGKGIAYFHHWPQ-CJNGLKHVSA-N 1 0 384.307 2.808 20 0 GFADRO [NH3+]CCc1nc(C(=O)NCC2(c3cccc(Cl)c3)CCOCC2)cs1 ZINC000194788915 553029869 /nfs/dbraw/zinc/02/98/69/553029869.db2.gz PBXRDPVEMIOFRK-UHFFFAOYSA-N 1 0 379.913 2.776 20 0 GFADRO [NH3+]CCc1nc(C(=O)N2CCC([C@@H](O)c3ccc(Cl)cc3)CC2)cs1 ZINC000194802623 553030206 /nfs/dbraw/zinc/03/02/06/553030206.db2.gz JZIFYCSSFCGDKL-KRWDZBQOSA-N 1 0 379.913 2.884 20 0 GFADRO C[C@@H](NS(=O)(=O)c1cccc2nsnc21)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000194802080 553030609 /nfs/dbraw/zinc/03/06/09/553030609.db2.gz QUTPAWDQJKMYQP-CHWSQXEVSA-N 1 0 380.539 2.623 20 0 GFADRO FC(F)(F)COCCC[NH+]1CCN(Cc2cncc(Br)c2)CC1 ZINC000195182688 553040220 /nfs/dbraw/zinc/04/02/20/553040220.db2.gz OIWPRMBMQLYZTF-UHFFFAOYSA-N 1 0 396.251 2.931 20 0 GFADRO Cc1cccc(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)c1I ZINC000223504505 553056213 /nfs/dbraw/zinc/05/62/13/553056213.db2.gz MKDIXBXOYQBFBW-KGLIPLIRSA-N 1 0 384.261 2.956 20 0 GFADRO C[C@@H]1CN(C(=O)c2cc(Cl)ccc2I)CC[C@H]1[NH3+] ZINC000226263698 553061294 /nfs/dbraw/zinc/06/12/94/553061294.db2.gz VLDFQUGOFOPHIU-PRHODGIISA-N 1 0 378.641 2.754 20 0 GFADRO CC[N@H+](CCNS(=O)(=O)c1ccc(Br)cc1Cl)C1CC1 ZINC000227632649 553062881 /nfs/dbraw/zinc/06/28/81/553062881.db2.gz QDPYPNHLOPYDEI-UHFFFAOYSA-N 1 0 381.723 2.865 20 0 GFADRO C[NH+](C)CCOCCNC(=O)c1cc(Br)cc(Br)c1 ZINC000230183541 553064845 /nfs/dbraw/zinc/06/48/45/553064845.db2.gz AOONXCMTEUNXMV-UHFFFAOYSA-N 1 0 394.107 2.520 20 0 GFADRO O=C(N[C@@H]1CCC[NH2+]CC1)c1ccc(I)c(Cl)c1 ZINC000232237373 553066424 /nfs/dbraw/zinc/06/64/24/553066424.db2.gz JPAAWWUMSSUDFY-SNVBAGLBSA-N 1 0 378.641 2.817 20 0 GFADRO C[C@@H](C[NH+]1CCCCC1)NS(=O)(=O)c1ccc(Br)c(F)c1 ZINC000235141547 553067840 /nfs/dbraw/zinc/06/78/40/553067840.db2.gz GWBZLGSLDWLXIZ-NSHDSACASA-N 1 0 379.295 2.741 20 0 GFADRO O=S(=O)(NCCN1CCCCC1)c1ccc(Cl)c(Br)c1 ZINC000236053433 553068467 /nfs/dbraw/zinc/06/84/67/553068467.db2.gz JGGOOSDQBUBOHL-UHFFFAOYSA-N 1 0 381.723 2.867 20 0 GFADRO O=C(Nc1ccc(CCn2cc(Br)cn2)cc1)[C@H]1CCCC[NH2+]1 ZINC000236588790 553069038 /nfs/dbraw/zinc/06/90/38/553069038.db2.gz XCZYSLZUVGGFOX-MRXNPFEDSA-N 1 0 377.286 2.969 20 0 GFADRO CC(C)(C[NH3+])C(=O)NCCSCCOc1cccc(Br)c1 ZINC000236609233 553069908 /nfs/dbraw/zinc/06/99/08/553069908.db2.gz ZOYHKDMWBLBERL-UHFFFAOYSA-N 1 0 375.332 2.662 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000236826654 553071452 /nfs/dbraw/zinc/07/14/52/553071452.db2.gz TWUUWGNZMHWHPB-LSDHHAIUSA-N 1 0 384.567 2.609 20 0 GFADRO CCC[C@H]([NH3+])C(=O)N1CCC(C(=O)Nc2ccccc2Br)CC1 ZINC000236812749 553071629 /nfs/dbraw/zinc/07/16/29/553071629.db2.gz GLTGTOQEBOGFPJ-AWEZNQCLSA-N 1 0 382.302 2.754 20 0 GFADRO CCCC[C@@H](C[NH3+])NC(=O)c1cc(F)c(F)cc1I ZINC000236864307 553072382 /nfs/dbraw/zinc/07/23/82/553072382.db2.gz AVNSZNYSKWGHOB-QMMMGPOBSA-N 1 0 382.192 2.817 20 0 GFADRO CCc1nc(C(=O)N2CCC[C@H]2C[NH2+]C)nn1-c1c(Cl)cccc1Cl ZINC000237023960 553073598 /nfs/dbraw/zinc/07/35/98/553073598.db2.gz YXTKNOUUWKYHNX-NSHDSACASA-N 1 0 382.295 2.961 20 0 GFADRO COc1ccc(Br)cc1C(=O)CCC(=O)N1C[C@@H](C)[NH2+]C[C@H]1C ZINC000237110106 553074837 /nfs/dbraw/zinc/07/48/37/553074837.db2.gz XVCNQEKOQDVUDW-VXGBXAGGSA-N 1 0 383.286 2.629 20 0 GFADRO CN(C(=O)CC1Sc2ccc(Cl)cc2NC1=O)C1CC2CCC(C1)[NH2+]2 ZINC000237211851 553076027 /nfs/dbraw/zinc/07/60/27/553076027.db2.gz YAWOVVXBRVNFKC-TUURBPCVSA-N 1 0 379.913 2.884 20 0 GFADRO C[NH2+]C[C@H](C)CNC(=O)c1cnn(-c2ncccc2Cl)c1C(F)(F)F ZINC000237199993 553076098 /nfs/dbraw/zinc/07/60/98/553076098.db2.gz RTGNCJKGYUYLBK-VIFPVBQESA-N 1 0 375.782 2.525 20 0 GFADRO CN(C(=O)c1cc(=O)[nH]c2c(Br)cccc12)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000237222115 553076160 /nfs/dbraw/zinc/07/61/60/553076160.db2.gz UMWOGOHXACPPRC-FOSCPWQOSA-N 1 0 390.281 2.646 20 0 GFADRO COc1c(Br)c(C)sc1C(=O)N1CCC(OCCC[NH3+])CC1 ZINC000237276880 553076768 /nfs/dbraw/zinc/07/67/68/553076768.db2.gz PJOBGJZPRGFUMS-UHFFFAOYSA-N 1 0 391.331 2.798 20 0 GFADRO C[C@@H](Cc1ccc(F)c(Br)c1)NC(=O)C[C@@H]1CSCC[NH2+]1 ZINC000237326727 553076772 /nfs/dbraw/zinc/07/67/72/553076772.db2.gz YPTSLAMWOBKISZ-CMPLNLGQSA-N 1 0 375.307 2.731 20 0 GFADRO COc1ccc(C(=O)N2CCCC[C@H]2[C@@H](C)[NH3+])c(I)c1 ZINC000237350764 553076955 /nfs/dbraw/zinc/07/69/55/553076955.db2.gz VSTADDZQZWFIFP-YGRLFVJLSA-N 1 0 388.249 2.642 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)c1ccc(I)c(F)c1 ZINC000237373982 553077205 /nfs/dbraw/zinc/07/72/05/553077205.db2.gz IKNDMNQNTFBVNH-RNCFNFMXSA-N 1 0 376.213 2.772 20 0 GFADRO C[NH2+]C[C@@H](C)CNC(=O)c1cccc(NC(=O)c2ccc(Br)o2)c1 ZINC000237344905 553077296 /nfs/dbraw/zinc/07/72/96/553077296.db2.gz BTWPKRJIZZVGNQ-LLVKDONJSA-N 1 0 394.269 2.880 20 0 GFADRO C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)c1ccc(Cl)c(I)c1 ZINC000237487664 553078071 /nfs/dbraw/zinc/07/80/71/553078071.db2.gz PTSVAHZCNAQOPC-SCZZXKLOSA-N 1 0 378.641 2.896 20 0 GFADRO C[C@@]1(C(=O)N2CCN(C(=O)c3c(Cl)cccc3Cl)CC2)CCCC[NH2+]1 ZINC000237553546 553078813 /nfs/dbraw/zinc/07/88/13/553078813.db2.gz FEYDTVNPGKLMEM-SFHVURJKSA-N 1 0 384.307 2.810 20 0 GFADRO Cc1ncccc1C[NH2+]C[C@H](O)COc1ccc(I)cc1 ZINC000237604040 553079848 /nfs/dbraw/zinc/07/98/48/553079848.db2.gz QDNTXFDJKXRFFJ-HNNXBMFYSA-N 1 0 398.244 2.524 20 0 GFADRO O=C(Nc1c(Cl)cc(NC(=O)[C@@H]2CCC[NH2+]2)cc1Cl)c1cnccn1 ZINC000237709455 553081181 /nfs/dbraw/zinc/08/11/81/553081181.db2.gz CUYORIFVJIEQGD-LBPRGKRZSA-N 1 0 380.235 2.726 20 0 GFADRO O=C(NCC[C@H]1CCC[NH2+]C1)[C@H]1CCN(c2cc(Cl)ccc2Cl)C1=O ZINC000237716455 553081206 /nfs/dbraw/zinc/08/12/06/553081206.db2.gz DLTMPQNEHHHDQM-TZMCWYRMSA-N 1 0 384.307 2.852 20 0 GFADRO C[C@H]1CCCN(C(=O)c2cc(F)c(F)cc2I)[C@H]1C[NH3+] ZINC000237712429 553081312 /nfs/dbraw/zinc/08/13/12/553081312.db2.gz LURIJGABPOXZAF-SDBXPKJASA-N 1 0 394.203 2.769 20 0 GFADRO Cc1c(C(=O)N[C@H]2CCCC[C@@H]2C[NH3+])nnn1-c1cccc(Br)c1 ZINC000237845035 553082839 /nfs/dbraw/zinc/08/28/39/553082839.db2.gz RBTMKFMFJGJCSM-DOMZBBRYSA-N 1 0 392.301 2.586 20 0 GFADRO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)N[C@H]1CCC[C@H]1C[NH3+] ZINC000237849523 553082989 /nfs/dbraw/zinc/08/29/89/553082989.db2.gz GNPNIOBMNRPSIY-GWCFXTLKSA-N 1 0 379.254 2.721 20 0 GFADRO O=C(c1ccc(Cl)c(Cl)c1)N1CCC[C@H](C(=O)N2CCC[NH2+]CC2)C1 ZINC000237861983 553083423 /nfs/dbraw/zinc/08/34/23/553083423.db2.gz SMWJOZPJNIURMA-AWEZNQCLSA-N 1 0 384.307 2.668 20 0 GFADRO [NH3+]C1(CC(=O)N2CCC(C(=O)Nc3ccccc3Br)CC2)CCC1 ZINC000237981664 553084589 /nfs/dbraw/zinc/08/45/89/553084589.db2.gz ZHABWTUFQYIQTR-UHFFFAOYSA-N 1 0 394.313 2.898 20 0 GFADRO [NH3+]CC1(C(=O)NC[C@@H]2CCN(c3ccc(Br)cc3)C2)CCCC1 ZINC000238054003 553085837 /nfs/dbraw/zinc/08/58/37/553085837.db2.gz HGQPXLLNGUDCFX-AWEZNQCLSA-N 1 0 380.330 2.911 20 0 GFADRO [NH3+]C[C@@H](NC(=O)c1cc(=O)[nH]c2c(Br)cccc12)C1CCCCC1 ZINC000238088810 553085882 /nfs/dbraw/zinc/08/58/82/553085882.db2.gz XURLSRAYVGLYSF-OAHLLOKOSA-N 1 0 392.297 2.928 20 0 GFADRO O[C@H](C[NH2+]C1CCCCC1)COc1ccc(I)cc1 ZINC000238120801 553086378 /nfs/dbraw/zinc/08/63/78/553086378.db2.gz CFYLTJQNEATIPR-CQSZACIVSA-N 1 0 375.250 2.953 20 0 GFADRO C[C@H](C(=O)Nc1ccc(Br)cc1)[N@@H+]1CCC[C@@H](CCC(N)=O)C1 ZINC000245392437 553089287 /nfs/dbraw/zinc/08/92/87/553089287.db2.gz AWDTXBGKNTXHNM-OLZOCXBDSA-N 1 0 382.302 2.754 20 0 GFADRO CN(CC[C@@H]1CCCC[N@@H+]1C)[C@@H](C(N)=O)c1ccc(Br)cc1F ZINC000245446171 553090774 /nfs/dbraw/zinc/09/07/74/553090774.db2.gz KYUCRKDTNLGFQI-XJKSGUPXSA-N 1 0 386.309 2.921 20 0 GFADRO O=C(CNC(=O)C[N@@H+]1CCC[C@@H]2CCC[C@H]21)Nc1ccccc1Br ZINC000245430539 553091019 /nfs/dbraw/zinc/09/10/19/553091019.db2.gz AGEHLSLRBCJIPA-XJKSGUPXSA-N 1 0 394.313 2.768 20 0 GFADRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1cncc(I)c1 ZINC000245633852 553094408 /nfs/dbraw/zinc/09/44/08/553094408.db2.gz FYLTUDUNQQVXLK-RYUDHWBXSA-N 1 0 387.265 2.536 20 0 GFADRO CN1CCO[C@@H]([C@@H](NC(=O)c2ncncc2Cl)c2ccc(Cl)cc2)C1 ZINC000245742861 553096307 /nfs/dbraw/zinc/09/63/07/553096307.db2.gz MAIBOJLZPXADMH-CABCVRRESA-N 1 0 381.263 2.585 20 0 GFADRO NC(=O)[C@@H](c1cccc(Br)c1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000245804294 553097922 /nfs/dbraw/zinc/09/79/22/553097922.db2.gz PSWKRSBUIOEUNP-WMLDXEAASA-N 1 0 380.330 2.783 20 0 GFADRO NC(=O)[C@H](c1cccc(Br)c1)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000245801126 553097959 /nfs/dbraw/zinc/09/79/59/553097959.db2.gz PIEFEKCTAJUFGP-JLSDUUJJSA-N 1 0 392.341 2.924 20 0 GFADRO COc1ccc([C@H](C)[NH2+]C[C@H]2CC[C@@H](C(=O)N(C)C)O2)c(Br)c1 ZINC000245882864 553098356 /nfs/dbraw/zinc/09/83/56/553098356.db2.gz LBLCGDMYLGSQIY-GHJWDPDVSA-N 1 0 385.302 2.744 20 0 GFADRO Cc1cc(S(=O)(=O)NCC[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)c(C)s1 ZINC000245880173 553098414 /nfs/dbraw/zinc/09/84/14/553098414.db2.gz KSPPIHSRIJJRAE-USXIJHARSA-N 1 0 384.567 2.581 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2ccc(Br)cc2)[C@@H](C)C1 ZINC000246114079 553102867 /nfs/dbraw/zinc/10/28/67/553102867.db2.gz ILODDXHALHVUOH-SWLSCSKDSA-N 1 0 375.332 2.800 20 0 GFADRO CS(=O)(=O)N1CC[C@@H](C[NH2+][C@H](c2ccc(Br)cc2)C2CC2)C1 ZINC000246161387 553103280 /nfs/dbraw/zinc/10/32/80/553103280.db2.gz UNIWNGHYFOEIDY-LRDDRELGSA-N 1 0 387.343 2.771 20 0 GFADRO CC[C@H](C)[C@@H](NC(=O)C[NH2+][C@H](C)c1ccc(Br)cc1)C(=O)OC ZINC000246198511 553103914 /nfs/dbraw/zinc/10/39/14/553103914.db2.gz UWJIWAAAQVAPQH-HWWQOWPSSA-N 1 0 385.302 2.804 20 0 GFADRO C[C@H](Oc1ccccc1Br)C(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000246508479 553109109 /nfs/dbraw/zinc/10/91/09/553109109.db2.gz CJAJAYQPUYFTEK-ZNMIVQPWSA-N 1 0 399.329 2.832 20 0 GFADRO C[C@H](Cc1cccc(Br)c1)NC(=O)N[C@@H](C)[C@H](C)N1CCOCC1 ZINC000246529566 553109297 /nfs/dbraw/zinc/10/92/97/553109297.db2.gz WINVNNLMRPBVKW-ILXRZTDVSA-N 1 0 398.345 2.789 20 0 GFADRO CC[N@H+](C)C[C@H]1CCN(C(=O)[C@H](C)NC(=O)c2cccc(Cl)c2Cl)C1 ZINC000246818973 553113479 /nfs/dbraw/zinc/11/34/79/553113479.db2.gz CBWHWHCLVWEFRX-QWHCGFSZSA-N 1 0 386.323 2.912 20 0 GFADRO C[N@@H+]1CCC[C@H]2CN(C(=O)NCCOc3ccc(Br)cc3)CC[C@H]21 ZINC000246784566 553113624 /nfs/dbraw/zinc/11/36/24/553113624.db2.gz IODPIQQBNDGLNM-WMLDXEAASA-N 1 0 396.329 2.954 20 0 GFADRO CC(=O)N1CC[C@H](C[N@H+](C)C[C@@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000246829229 553113651 /nfs/dbraw/zinc/11/36/51/553113651.db2.gz QEFRKQBKTXRAGL-UKRRQHHQSA-N 1 0 375.296 2.533 20 0 GFADRO C[C@@H]1CCC[N@H+](CCNC(=O)N[C@H](CO)c2cccc(Br)c2)C1 ZINC000246955104 553115743 /nfs/dbraw/zinc/11/57/43/553115743.db2.gz NZVAOUPCFNHZRC-CZUORRHYSA-N 1 0 384.318 2.514 20 0 GFADRO CN(Cc1c(F)cccc1Cl)S(=O)(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000246992307 553116411 /nfs/dbraw/zinc/11/64/11/553116411.db2.gz KGOHPAWAZVSHNT-SUMWQHHRSA-N 1 0 389.924 2.572 20 0 GFADRO Cc1cc(S(=O)(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)sc1Br ZINC000247504586 553122683 /nfs/dbraw/zinc/12/26/83/553122683.db2.gz MQFSUZQJKMECRG-NWDGAFQWSA-N 1 0 393.372 2.924 20 0 GFADRO C[C@H](C(=O)Nc1ccc(Br)cc1)[N@@H+]1CC[C@@H](c2cnn(C)c2)C1 ZINC000247548143 553123807 /nfs/dbraw/zinc/12/38/07/553123807.db2.gz RWUIQAQMTUATGZ-CHWSQXEVSA-N 1 0 377.286 2.999 20 0 GFADRO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@H](C)[C@H](C)N1CCOCC1 ZINC000248184777 553127733 /nfs/dbraw/zinc/12/77/33/553127733.db2.gz XCCCFFXYXKPYRP-KFWWJZLASA-N 1 0 398.345 2.865 20 0 GFADRO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@@H](C)[C@H](C)N1CCOCC1 ZINC000248184775 553127949 /nfs/dbraw/zinc/12/79/49/553127949.db2.gz XCCCFFXYXKPYRP-ILXRZTDVSA-N 1 0 398.345 2.865 20 0 GFADRO C[C@H](O)C[N@@H+]1CCN(C(=O)Nc2ccc(Cl)c(OC(F)F)c2)C[C@H]1C ZINC000248412176 553129224 /nfs/dbraw/zinc/12/92/24/553129224.db2.gz JCGWHHAPGMHUGS-MNOVXSKESA-N 1 0 377.819 2.860 20 0 GFADRO O[C@H](COc1ccccc1C(F)(F)F)C[N@@H+]1CCS[C@@H]2COCC[C@@H]21 ZINC000248456028 553129929 /nfs/dbraw/zinc/12/99/29/553129929.db2.gz LHHRBQRHWNKTSL-DUVNUKRYSA-N 1 0 377.428 2.651 20 0 GFADRO CCOC(=O)C[C@@H](C)[N@H+](C)CC(=O)N[C@H](C)c1ccc(Br)cc1 ZINC000248478571 553130626 /nfs/dbraw/zinc/13/06/26/553130626.db2.gz ZKGPVPSWGIPULO-CHWSQXEVSA-N 1 0 385.302 2.900 20 0 GFADRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)CCC[S@](=O)c3ccc(Br)cc3)C[C@@H]12 ZINC000248580486 553131226 /nfs/dbraw/zinc/13/12/26/553131226.db2.gz FFVNWNCTSDODSY-DAXZMXMLSA-N 1 0 399.354 2.533 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2Cc3cc(Br)ccc3O2)[C@@H](C)C1 ZINC000248713380 553133827 /nfs/dbraw/zinc/13/38/27/553133827.db2.gz DGYZAFZKFPCYJU-NUTKFTJISA-N 1 0 381.314 2.941 20 0 GFADRO Cc1cc(NC(=O)[C@H](C)N2CCO[C@@]3(CCOC3)C2)ccc1Br ZINC000249000087 553137993 /nfs/dbraw/zinc/13/79/93/553137993.db2.gz MVTNCBRZYAXWHK-GUYCJALGSA-N 1 0 383.286 2.576 20 0 GFADRO COC(=O)[C@@H]1CC[N@H+](C[C@@H](O)COc2c(Cl)cccc2Cl)C[C@H]1C ZINC000249073918 553138991 /nfs/dbraw/zinc/13/89/91/553138991.db2.gz LLFXKVYSGLVNGA-JHJVBQTASA-N 1 0 376.280 2.864 20 0 GFADRO C[C@@H](NC(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C)c1ccccc1Br ZINC000249132216 553139823 /nfs/dbraw/zinc/13/98/23/553139823.db2.gz SSGCFNUXOCJYDA-ZIAGYGMSSA-N 1 0 398.345 2.997 20 0 GFADRO C[C@H](Cc1ccc(Br)cc1)C(=O)N1CC[N@H+](CC(C)(C)O)C[C@@H]1C ZINC000249365636 553142351 /nfs/dbraw/zinc/14/23/51/553142351.db2.gz MIFCFKYILCLDFZ-CABCVRRESA-N 1 0 397.357 2.931 20 0 GFADRO O[C@@H]1[C@H]2C[C@H]3C[N@H+](CCCOc4cccc(I)c4)[C@H]1[C@H]3C2 ZINC000249431005 553142979 /nfs/dbraw/zinc/14/29/79/553142979.db2.gz DWYAGPASMIKPEM-QPSXIRMHSA-N 1 0 399.272 2.761 20 0 GFADRO Cc1cc(F)c(Br)cc1S(=O)(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000249615886 553145154 /nfs/dbraw/zinc/14/51/54/553145154.db2.gz PHPWQOBYKVUMSC-BXUZGUMPSA-N 1 0 393.322 2.857 20 0 GFADRO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000249628278 553145171 /nfs/dbraw/zinc/14/51/71/553145171.db2.gz UNYMMBQFBPQZQD-IHRRRGAJSA-N 1 0 390.933 2.502 20 0 GFADRO C[C@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2Cl)[C@H]1C[NH3+] ZINC000252207707 553148955 /nfs/dbraw/zinc/14/89/55/553148955.db2.gz VMAAWGFVCOICPM-CABZTGNLSA-N 1 0 381.723 2.850 20 0 GFADRO Cc1cc(S(=O)(=O)N2CCC[C@H]([C@H]3CCC[NH2+]3)C2)sc1Br ZINC000250972086 553147921 /nfs/dbraw/zinc/14/79/21/553147921.db2.gz XENQHCNFKPJPAB-NWDGAFQWSA-N 1 0 393.372 2.972 20 0 GFADRO COC(=O)c1ccc(S(=O)(=O)NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)c(Cl)c1 ZINC000252223129 553149182 /nfs/dbraw/zinc/14/91/82/553149182.db2.gz ZORGZZPGTWINHI-QWHCGFSZSA-N 1 0 388.917 2.525 20 0 GFADRO O=C(c1ccc(I)c(Cl)c1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261582120 553153575 /nfs/dbraw/zinc/15/35/75/553153575.db2.gz GNEIRJYXEKVBKS-MFKMUULPSA-N 1 0 390.652 2.769 20 0 GFADRO Cc1ccccc1[C@@H](O)CNC(=O)[C@@](C)([NH3+])c1ccc(Br)cc1 ZINC000261733222 553157514 /nfs/dbraw/zinc/15/75/14/553157514.db2.gz LCDHDMCAFWMRQR-WMZOPIPTSA-N 1 0 377.282 2.781 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCCN(S(=O)(=O)c2c(Cl)cccc2Br)C1 ZINC000261747942 553158070 /nfs/dbraw/zinc/15/80/70/553158070.db2.gz MPCZQBDGSFIIIA-UWVGGRQHSA-N 1 0 381.723 2.850 20 0 GFADRO CCCN(CCS(=O)(=O)c1ccc(Br)cc1)C1CC[NH2+]CC1 ZINC000261770319 553158680 /nfs/dbraw/zinc/15/86/80/553158680.db2.gz VYKBHVOOWFJHMK-UHFFFAOYSA-N 1 0 389.359 2.687 20 0 GFADRO COc1ccc(Br)cc1CN(C)C(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC000261793354 553159219 /nfs/dbraw/zinc/15/92/19/553159219.db2.gz UETCWQJLWXDSDV-INIZCTEOSA-N 1 0 377.282 2.986 20 0 GFADRO C[C@]1(C[NH3+])CCN(C(=O)[C@H]2CCCN2C(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000261806889 553159777 /nfs/dbraw/zinc/15/97/77/553159777.db2.gz HHBBZCFDXOGNEL-CRAIPNDOSA-N 1 0 384.307 2.795 20 0 GFADRO COc1cc(C)c(S(=O)(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)cc1Cl ZINC000261806702 553159871 /nfs/dbraw/zinc/15/98/71/553159871.db2.gz WHNJNFHWEUOPFJ-GOEBONIOSA-N 1 0 380.897 2.772 20 0 GFADRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)c1ccc(I)cc1Cl ZINC000261841246 553160435 /nfs/dbraw/zinc/16/04/35/553160435.db2.gz PCQISORFMHSFSB-IUCAKERBSA-N 1 0 378.641 2.754 20 0 GFADRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)CCc1nc(-c2cc(Br)cs2)no1 ZINC000261863864 553161052 /nfs/dbraw/zinc/16/10/52/553161052.db2.gz RMEDGNSCWYSSQE-NXEZZACHSA-N 1 0 399.314 2.689 20 0 GFADRO [NH3+][C@@H]1CCC[C@H]1CC(=O)N1CCN(C(=O)c2c(Cl)cccc2Cl)CC1 ZINC000261887469 553162112 /nfs/dbraw/zinc/16/21/12/553162112.db2.gz ZYEYCGXKOKZESA-SWLSCSKDSA-N 1 0 384.307 2.795 20 0 GFADRO CC[C@@H](CNC(=O)[C@H]([NH3+])C1CCOCC1)Cc1cccc(Br)c1 ZINC000261919280 553162667 /nfs/dbraw/zinc/16/26/67/553162667.db2.gz YMFSHWSHLJTJOC-CXAGYDPISA-N 1 0 383.330 2.888 20 0 GFADRO CC(C)Sc1ccc(C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)cc1 ZINC000261937197 553162693 /nfs/dbraw/zinc/16/26/93/553162693.db2.gz JBIMOZFFLRAFNB-HNNXBMFYSA-N 1 0 375.460 2.753 20 0 GFADRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)[C@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1 ZINC000261914275 553163002 /nfs/dbraw/zinc/16/30/02/553163002.db2.gz YOTOEOIVOOKUCD-XHBSWPGZSA-N 1 0 384.307 2.794 20 0 GFADRO O=C(N[C@@H]1CCN(c2ccccc2Br)C1)[C@H]1CC12CC[NH2+]CC2 ZINC000261922403 553163057 /nfs/dbraw/zinc/16/30/57/553163057.db2.gz JCLHDHIEPOKWMP-ZIAGYGMSSA-N 1 0 378.314 2.534 20 0 GFADRO C[C@@]1(C[NH3+])CCN(C(=O)c2ccc(Cl)c(I)c2)C1 ZINC000261950528 553163625 /nfs/dbraw/zinc/16/36/25/553163625.db2.gz KAQIISDZOCDMKP-ZDUSSCGKSA-N 1 0 378.641 2.756 20 0 GFADRO Cc1ccc(S(=O)(=O)N2C[C@@H]([NH3+])Cc3ccccc32)c(Br)c1 ZINC000261982350 553163908 /nfs/dbraw/zinc/16/39/08/553163908.db2.gz RNMMATMYERPOJI-ZDUSSCGKSA-N 1 0 381.295 2.836 20 0 GFADRO Cc1nc(-c2ccc(Cl)s2)sc1C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000262014172 553164829 /nfs/dbraw/zinc/16/48/29/553164829.db2.gz HWFYMDMTLKCBAO-LBPRGKRZSA-N 1 0 396.969 2.953 20 0 GFADRO O=C(COc1cc(Cl)c(Cl)cc1Cl)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000262073180 553165323 /nfs/dbraw/zinc/16/53/23/553165323.db2.gz PNVIONFJTXACHU-NSHDSACASA-N 1 0 392.714 2.532 20 0 GFADRO C[C@@]1(C[NH3+])CCN(C(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CCCC2)C1 ZINC000262103146 553166053 /nfs/dbraw/zinc/16/60/53/553166053.db2.gz VCIRUINEHGYNKO-KRWDZBQOSA-N 1 0 384.929 2.624 20 0 GFADRO C[C@@H](C(=O)Nc1ccc(=O)n(Cc2ccc(Cl)c(Cl)c2)c1)C1C[NH2+]C1 ZINC000262300774 553168701 /nfs/dbraw/zinc/16/87/01/553168701.db2.gz ZYUNYKJLJSNLIH-LLVKDONJSA-N 1 0 380.275 2.997 20 0 GFADRO CSCC[C@H](NC(=O)c1csc(CC[NH3+])n1)c1nc2ccccc2[nH]1 ZINC000262448439 553170924 /nfs/dbraw/zinc/17/09/24/553170924.db2.gz ZENUOOLBVWVBTP-ZDUSSCGKSA-N 1 0 375.523 2.745 20 0 GFADRO O=C(Cc1csc(COc2ccc(Cl)cc2)n1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000262487061 553171385 /nfs/dbraw/zinc/17/13/85/553171385.db2.gz SSYDOYRRIWERII-BETUJISGSA-N 1 0 377.897 2.596 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)c2nn(-c3ccc(F)cc3)cc2Br)C1 ZINC000262572527 553172626 /nfs/dbraw/zinc/17/26/26/553172626.db2.gz HTAGAIBZIGIWIJ-VXGBXAGGSA-N 1 0 395.276 2.973 20 0 GFADRO O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)NC[C@H](O)COc1cccc(Cl)c1Cl ZINC000262605980 553172944 /nfs/dbraw/zinc/17/29/44/553172944.db2.gz GPLVLBOHHIMVPP-GSPSYOTPSA-N 1 0 387.307 2.770 20 0 GFADRO COCC[C@@H](Cc1cccc(Br)c1)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000262600927 553172979 /nfs/dbraw/zinc/17/29/79/553172979.db2.gz XFOJEXYLUVIORP-ZBFHGGJFSA-N 1 0 383.330 2.760 20 0 GFADRO O=C(C[NH2+]CC1CC1)NCC1(c2ccc(Br)cc2)CCOCC1 ZINC000262627874 553173346 /nfs/dbraw/zinc/17/33/46/553173346.db2.gz UHKRWZMQMLESDD-UHFFFAOYSA-N 1 0 381.314 2.613 20 0 GFADRO CCOc1ccc(S(=O)(=O)N2CCCC[C@H]2[C@H](C)[NH3+])cc1Br ZINC000262730035 553174675 /nfs/dbraw/zinc/17/46/75/553174675.db2.gz CSVIFNSGABNAQD-FZMZJTMJSA-N 1 0 391.331 2.738 20 0 GFADRO C[C@H]1[NH2+]CCN(C(=O)CCc2nc(-c3cc(Br)cs3)no2)[C@@H]1C ZINC000262735475 553174697 /nfs/dbraw/zinc/17/46/97/553174697.db2.gz CMKAYWBNATWTCS-NXEZZACHSA-N 1 0 399.314 2.702 20 0 GFADRO O=C(c1ccn([C@H]2CCC[NH2+]C2)n1)N1CCc2ccc(Br)cc21 ZINC000262757522 553175327 /nfs/dbraw/zinc/17/53/27/553175327.db2.gz KZTMLUBKGRELDC-AWEZNQCLSA-N 1 0 375.270 2.773 20 0 GFADRO C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)c1ccc(I)cc1Cl ZINC000262793396 553176481 /nfs/dbraw/zinc/17/64/81/553176481.db2.gz NFKHFJIEYHLKBL-DTWKUNHWSA-N 1 0 378.641 2.767 20 0 GFADRO C[C@H]1C[C@H](NC(=O)c2ccc(Cl)c(I)c2)CC[NH2+]1 ZINC000262955454 553179496 /nfs/dbraw/zinc/17/94/96/553179496.db2.gz VVXPUTUGZUEVGG-WCBMZHEXSA-N 1 0 378.641 2.815 20 0 GFADRO C[C@@]1([NH3+])CCCC[C@H]1C(=O)NCCc1ccc(I)s1 ZINC000262960156 553179504 /nfs/dbraw/zinc/17/95/04/553179504.db2.gz KQTHDLZCPJOEKM-SMDDNHRTSA-N 1 0 392.306 2.919 20 0 GFADRO NC(=O)c1csc(C(=O)N(Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)c1 ZINC000262996510 553180160 /nfs/dbraw/zinc/18/01/60/553180160.db2.gz WKGNXKNCYQMSCC-OAHLLOKOSA-N 1 0 375.519 2.693 20 0 GFADRO O=S(=O)(Cc1cc(Cl)ccc1Br)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000564960221 564259946 /nfs/dbraw/zinc/25/99/46/564259946.db2.gz IEELYFYSCNNJPG-AWEZNQCLSA-N 1 0 393.734 2.618 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2cccc(Br)c2F)[C@H](C)C1 ZINC000541387779 564278224 /nfs/dbraw/zinc/27/82/24/564278224.db2.gz ZDLHPCXXQWCHOO-YPMHNXCESA-N 1 0 393.322 2.939 20 0 GFADRO CC[NH+](CC)CCOCCNC(=O)NCc1csc(Br)c1 ZINC000541820802 564290617 /nfs/dbraw/zinc/29/06/17/564290617.db2.gz NMCDYYZDSPALGC-UHFFFAOYSA-N 1 0 378.336 2.668 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@@H](NS(=O)(=O)Cc2ccc(Br)c(F)c2)C1 ZINC000451283573 564296034 /nfs/dbraw/zinc/29/60/34/564296034.db2.gz GEWIENVQNYJRLJ-CHWSQXEVSA-N 1 0 393.322 2.880 20 0 GFADRO CC[C@@H](C)N(C)CC[NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000566110637 564310943 /nfs/dbraw/zinc/31/09/43/564310943.db2.gz NTWOIFSXAVEXOT-IUODEOHRSA-N 1 0 377.298 2.648 20 0 GFADRO C[C@](CO)([NH2+]C[C@H](O)COCC(F)(F)F)c1cc(Cl)cc(Cl)c1 ZINC000451903317 564364444 /nfs/dbraw/zinc/36/44/44/564364444.db2.gz DUZYHCDUSJXQEJ-QWHCGFSZSA-N 1 0 376.202 2.730 20 0 GFADRO CO[C@@H](C)C[N@H+](CC(=O)Nc1cccc(I)c1)C(C)C ZINC000533431422 564962907 /nfs/dbraw/zinc/96/29/07/564962907.db2.gz PIVOUFPJWSZLMR-LBPRGKRZSA-N 1 0 390.265 2.975 20 0 GFADRO C[NH2+]CCCN(C)S(=O)(=O)c1ccc(Br)c(Cl)c1Cl ZINC000420467099 563264460 /nfs/dbraw/zinc/26/44/60/563264460.db2.gz BYNORUAIQQIAJS-UHFFFAOYSA-N 1 0 390.130 2.986 20 0 GFADRO C[C@H]1CN(CC(=O)Nc2ccc(Br)c(C(F)(F)F)c2)CC[NH2+]1 ZINC000420331541 563262131 /nfs/dbraw/zinc/26/21/31/563262131.db2.gz FGGLNZIFXRZVET-VIFPVBQESA-N 1 0 380.208 2.700 20 0 GFADRO O=C(CCSc1ccc(Br)cc1)NCC[NH+]1CCC(O)CC1 ZINC000296801088 563302088 /nfs/dbraw/zinc/30/20/88/563302088.db2.gz DWBKYHYDRFRMNH-UHFFFAOYSA-N 1 0 387.343 2.504 20 0 GFADRO COc1cc(C[N@H+](C[C@H](O)CO)C(C)C)cc(Br)c1OC(F)F ZINC000421410976 563309287 /nfs/dbraw/zinc/30/92/87/563309287.db2.gz PZYRRJUVORQEOS-NSHDSACASA-N 1 0 398.244 2.623 20 0 GFADRO Ic1ccc(NC2CC[NH+](C[C@H]3CCOC3)CC2)nc1 ZINC000297185188 563318708 /nfs/dbraw/zinc/31/87/08/563318708.db2.gz QGIUOWZFEMFVET-GFCCVEGCSA-N 1 0 387.265 2.599 20 0 GFADRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)NCCc1c[nH]c2cccc(Br)c12 ZINC000418202943 563213616 /nfs/dbraw/zinc/21/36/16/563213616.db2.gz USJNMQNKUGTREY-VXGBXAGGSA-N 1 0 379.302 2.852 20 0 GFADRO C[C@H](CCC[NH3+])NC(=O)NCc1c(Br)cncc1Br ZINC000418232823 563214081 /nfs/dbraw/zinc/21/40/81/563214081.db2.gz FGVVIUXIXLFKIL-MRVPVSSYSA-N 1 0 394.111 2.533 20 0 GFADRO O=C(NCC1C[NH2+]C1)N[C@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC000418214364 563214143 /nfs/dbraw/zinc/21/41/43/563214143.db2.gz IZRVCRMXDQLVOY-HNNXBMFYSA-N 1 0 377.286 2.826 20 0 GFADRO O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)N[C@@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC000418217382 563214177 /nfs/dbraw/zinc/21/41/77/563214177.db2.gz LGFMZWTYZCKYLT-CLWVCHIJSA-N 1 0 389.297 2.825 20 0 GFADRO O=C(NCC[C@H]1CCC[NH2+]C1)NCc1nc2c(cccc2Br)[nH]1 ZINC000418265550 563214776 /nfs/dbraw/zinc/21/47/76/563214776.db2.gz LUMVZACKXUDYBS-LLVKDONJSA-N 1 0 380.290 2.514 20 0 GFADRO O=C(N[C@@H]1CCc2c1ccc(F)c2Br)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000418250813 563214824 /nfs/dbraw/zinc/21/48/24/563214824.db2.gz LRHWROGRTZHWEE-JRPNMDOOSA-N 1 0 382.277 2.826 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)NCc2nc3c(cccc3Br)[nH]2)C1 ZINC000418275164 563214859 /nfs/dbraw/zinc/21/48/59/563214859.db2.gz YSKXHEVLGSYLCG-GHMZBOCLSA-N 1 0 380.290 2.594 20 0 GFADRO O=C(N[C@@H]1CCc2c1ccc(F)c2Br)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000418254111 563215064 /nfs/dbraw/zinc/21/50/64/563215064.db2.gz QGBNAXDEBSUGKY-JRPNMDOOSA-N 1 0 382.277 2.826 20 0 GFADRO O=S(=O)(c1c(F)c(F)c(F)c(F)c1F)N1CCC[C@@H]2C[NH2+]CCC[C@@H]21 ZINC000369535517 563216598 /nfs/dbraw/zinc/21/65/98/563216598.db2.gz BIBNRMBIPZJKIL-BDAKNGLRSA-N 1 0 384.370 2.535 20 0 GFADRO O=C(N[C@@H]1CCC[NH2+]C1)N1CCC[C@@H]1c1ccc(I)cc1 ZINC000418387985 563216588 /nfs/dbraw/zinc/21/65/88/563216588.db2.gz UPYYZXMYVDUZQT-HUUCEWRRSA-N 1 0 399.276 2.890 20 0 GFADRO CC(C)[C@H]([NH3+])CNC(=O)N1CCO[C@@H](c2ccc(Br)cc2)[C@H]1C ZINC000418391243 563216686 /nfs/dbraw/zinc/21/66/86/563216686.db2.gz UNVXSSIHNQHTRM-DAXOMENPSA-N 1 0 384.318 2.904 20 0 GFADRO C[NH2+]C[C@H](C)CNC(=O)N1CCC[C@H]1C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000418398224 563217377 /nfs/dbraw/zinc/21/73/77/563217377.db2.gz VZKZDKAEVBKMIH-NHYWBVRUSA-N 1 0 387.311 2.961 20 0 GFADRO Cn1cc(N2CC[C@H]([NH2+]C3CC(c4cccc(Br)c4)C3)C2=O)cn1 ZINC000277630585 563217376 /nfs/dbraw/zinc/21/73/76/563217376.db2.gz RKDVVIGEINEWKI-PGEKIEPBSA-N 1 0 389.297 2.824 20 0 GFADRO CC[C@H]([NH2+][C@H]1CCc2nccn2C1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000369542976 563217456 /nfs/dbraw/zinc/21/74/56/563217456.db2.gz ZIPSXSGXCHDNDG-ZFWWWQNUSA-N 1 0 382.917 2.500 20 0 GFADRO C[C@H](C[NH3+])CNC(=O)N1CCC[C@@H]1c1ccc(I)cc1 ZINC000418468783 563218015 /nfs/dbraw/zinc/21/80/15/563218015.db2.gz JOUCXMAJJWFAER-BXUZGUMPSA-N 1 0 387.265 2.733 20 0 GFADRO C[C@@H]1[C@@H](c2ccc(Br)cc2)OCCN1C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000418468488 563218114 /nfs/dbraw/zinc/21/81/14/563218114.db2.gz OWRBCHKMUMLZSK-RLCCDNCMSA-N 1 0 382.302 2.658 20 0 GFADRO C[C@@H]1[C@@H](c2ccc(Br)cc2)OCCN1C(=O)NC[C@H]1CC[NH2+]C1 ZINC000418511377 563218610 /nfs/dbraw/zinc/21/86/10/563218610.db2.gz DIZQZXFAQVAFMA-WWGRRREGSA-N 1 0 382.302 2.530 20 0 GFADRO COCC[NH2+]CCNC(=O)N1CCC[C@@H]1c1cc(F)cc(Br)c1 ZINC000418504372 563218846 /nfs/dbraw/zinc/21/88/46/563218846.db2.gz BNVPCKDVQFFJHN-OAHLLOKOSA-N 1 0 388.281 2.671 20 0 GFADRO O=c1cccc2n1C[C@H]1C[C@@H]2CN(Cc2nc3ccccn3c2Br)C1 ZINC000294859962 563219137 /nfs/dbraw/zinc/21/91/37/563219137.db2.gz SZJGKIUZRWSZBT-UONOGXRCSA-N 1 0 399.292 2.878 20 0 GFADRO C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)N[C@@H](C)CC[NH3+])CC1 ZINC000418522103 563219545 /nfs/dbraw/zinc/21/95/45/563219545.db2.gz JACCVLJQPVJJEB-UONOGXRCSA-N 1 0 383.334 2.575 20 0 GFADRO [NH3+][C@@H]1CCC[C@H](NC(=O)N2CCO[C@H](c3ccc(Br)cc3)C2)C1 ZINC000418572101 563219947 /nfs/dbraw/zinc/21/99/47/563219947.db2.gz DYXHHFVFQLVREW-PMPSAXMXSA-N 1 0 382.302 2.802 20 0 GFADRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000418582882 563220026 /nfs/dbraw/zinc/22/00/26/563220026.db2.gz AMMNVLCCIZMYAY-DAXOMENPSA-N 1 0 382.302 2.530 20 0 GFADRO COCCN(Cc1sccc1Br)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000418557081 563220246 /nfs/dbraw/zinc/22/02/46/563220246.db2.gz ZVRVUVSFBXLYGU-GFCCVEGCSA-N 1 0 390.347 2.811 20 0 GFADRO CCN(CCOc1ccc(Br)cc1)C(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000418604126 563220902 /nfs/dbraw/zinc/22/09/02/563220902.db2.gz XENFNTKZHVNGOI-CZUORRHYSA-N 1 0 384.318 2.857 20 0 GFADRO CC1(C)CCC[NH2+][C@@H]1CNC(=O)N(CCO)Cc1cccc(Br)c1 ZINC000418635682 563221393 /nfs/dbraw/zinc/22/13/93/563221393.db2.gz HELIBSBMGAQATF-MRXNPFEDSA-N 1 0 398.345 2.731 20 0 GFADRO CC1(C)CCC[NH2+][C@@H]1CNC(=O)N[C@H](CO)c1ccc(Br)cc1 ZINC000418610996 563221676 /nfs/dbraw/zinc/22/16/76/563221676.db2.gz HCIGPOIKFUDDFZ-HUUCEWRRSA-N 1 0 384.318 2.560 20 0 GFADRO COCC1(CNC(=O)N2CCc3cc(Br)ccc3C2)CC[NH2+]CC1 ZINC000418640179 563221701 /nfs/dbraw/zinc/22/17/01/563221701.db2.gz ODWOCUOYAHTXCN-UHFFFAOYSA-N 1 0 396.329 2.533 20 0 GFADRO CC1(C)CCC[NH2+][C@@H]1CNC(=O)N[C@H](CO)c1cccc(Br)c1 ZINC000418647563 563221949 /nfs/dbraw/zinc/22/19/49/563221949.db2.gz UIINJUBCSYCFBM-HUUCEWRRSA-N 1 0 384.318 2.560 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H](CNC(=O)N2CCOc3ccc(Br)cc3C2)C1 ZINC000418735073 563223338 /nfs/dbraw/zinc/22/33/38/563223338.db2.gz WAKBTHQGUBHHQY-IUODEOHRSA-N 1 0 382.302 2.871 20 0 GFADRO O=C(CC[N@H+]1CCC[C@H]([C@@H](O)C(F)(F)F)C1)NCc1ccccc1Cl ZINC000277739015 563223313 /nfs/dbraw/zinc/22/33/13/563223313.db2.gz KOEWGNHTMCOAOZ-XJKSGUPXSA-N 1 0 378.822 2.982 20 0 GFADRO Cc1cc(Br)ccc1CN(C)C(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000418760554 563224371 /nfs/dbraw/zinc/22/43/71/563224371.db2.gz LDRVNURITXXCLK-CYBMUJFWSA-N 1 0 376.245 2.896 20 0 GFADRO CN1CC[NH2+]C[C@@H]1CNC(=O)N1CCC(c2cccc(Cl)c2Cl)CC1 ZINC000418760838 563224441 /nfs/dbraw/zinc/22/44/41/563224441.db2.gz KNLIVHATQSFRRC-CQSZACIVSA-N 1 0 385.339 2.786 20 0 GFADRO CC(C)(COc1ncc(Cl)cc1Cl)NC(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000418763993 563225038 /nfs/dbraw/zinc/22/50/38/563225038.db2.gz KJIQXBCLJGKATI-PWSUYJOCSA-N 1 0 375.300 2.972 20 0 GFADRO CN1CC[NH2+]C[C@@H]1CNC(=O)N1CC=C(c2ccc(Cl)c(Cl)c2)CC1 ZINC000418770970 563225125 /nfs/dbraw/zinc/22/51/25/563225125.db2.gz VMIVTFHTKFAGLB-OAHLLOKOSA-N 1 0 383.323 2.696 20 0 GFADRO O=C(NCCC[C@@H]1CCC[NH2+]1)NC[C@@H](O)COc1cccc(Cl)c1Cl ZINC000418776183 563225799 /nfs/dbraw/zinc/22/57/99/563225799.db2.gz UCNHJUVEDABSMO-QWHCGFSZSA-N 1 0 390.311 2.565 20 0 GFADRO COCCN(Cc1ccc(Br)s1)C(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000418801493 563226045 /nfs/dbraw/zinc/22/60/45/563226045.db2.gz XIQCXIUFXJRUMP-RYUDHWBXSA-N 1 0 390.347 2.796 20 0 GFADRO O=C(N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)N1CCc2cc(Br)ccc2C1 ZINC000418796849 563226046 /nfs/dbraw/zinc/22/60/46/563226046.db2.gz RNPSWYVFKWSYLC-JLJPHGGASA-N 1 0 378.314 2.905 20 0 GFADRO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000418821740 563226461 /nfs/dbraw/zinc/22/64/61/563226461.db2.gz VTWWPORYBCIWJO-APHBMKBZSA-N 1 0 386.323 2.797 20 0 GFADRO COc1cc(Br)c(C(=O)N(C)[C@H]2CC[N@H+](C)C[C@H]2C)cc1OC ZINC000295039430 563226602 /nfs/dbraw/zinc/22/66/02/563226602.db2.gz RZOVLPJSHKPTRL-RISCZKNCSA-N 1 0 385.302 2.879 20 0 GFADRO Cc1nc2ccc(Br)cn2c1C(=O)N1CC[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000369860825 563227153 /nfs/dbraw/zinc/22/71/53/563227153.db2.gz DEHYHHYVBZGOMK-TZMCWYRMSA-N 1 0 377.286 2.571 20 0 GFADRO C[C@H](NC(=O)C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+])c1cc(F)c(Cl)cc1Cl ZINC000418856239 563228261 /nfs/dbraw/zinc/22/82/61/563228261.db2.gz WLYZVSJIVRCVNT-FEUHOPSXSA-N 1 0 390.286 2.943 20 0 GFADRO CCCN(CC[NH+](CC)CC)C(=O)c1cc(Br)c(C)n(C)c1=O ZINC000277855520 563229536 /nfs/dbraw/zinc/22/95/36/563229536.db2.gz RBCWTWJIRQJURB-UHFFFAOYSA-N 1 0 386.334 2.650 20 0 GFADRO C[C@H](NC(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1)c1cc(Cl)ccc1Cl ZINC000418954004 563231726 /nfs/dbraw/zinc/23/17/26/563231726.db2.gz MXDZRTXDGNLDNL-WYURAEBNSA-N 1 0 384.307 2.756 20 0 GFADRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NCCCc1ccc(Cl)cc1Cl ZINC000419036447 563232555 /nfs/dbraw/zinc/23/25/55/563232555.db2.gz GZNRTAYSVSNVDY-BBRMVZONSA-N 1 0 386.323 2.676 20 0 GFADRO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)NCCCc1ccc(Cl)cc1Cl ZINC000419034729 563232601 /nfs/dbraw/zinc/23/26/01/563232601.db2.gz DUHVSGKCUSXQLR-MRXNPFEDSA-N 1 0 388.339 2.874 20 0 GFADRO C[C@@H]([NH2+][C@@H]1CCN(CCN2CCOCC2)C1)c1ccc(Br)cc1 ZINC000370115557 563234148 /nfs/dbraw/zinc/23/41/48/563234148.db2.gz XZYUZOKYJLQTFW-CRAIPNDOSA-N 1 0 382.346 2.506 20 0 GFADRO C[C@H](NC(=O)C(=O)N[C@@H](C[NH3+])C1CCCCC1)c1ccc(Br)cc1 ZINC000419131006 563234430 /nfs/dbraw/zinc/23/44/30/563234430.db2.gz BUTNDPYYFVWRMT-LRDDRELGSA-N 1 0 396.329 2.650 20 0 GFADRO C[C@H](NC(=O)C(=O)NCC1([NH3+])CCCCCC1)c1ccc(Br)cc1 ZINC000419150672 563234738 /nfs/dbraw/zinc/23/47/38/563234738.db2.gz MUUWHMSHGKTCFA-ZDUSSCGKSA-N 1 0 396.329 2.794 20 0 GFADRO C[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CCSc3ccc(Cl)cc32)[C@H]1C[NH3+] ZINC000419223209 563235184 /nfs/dbraw/zinc/23/51/84/563235184.db2.gz YFWWJXNFRJNZTI-DFBGVHRSSA-N 1 0 381.929 2.579 20 0 GFADRO CO[C@H](C[NH2+][C@H](C(N)=O)c1cccc(Br)c1)Cc1ccccc1 ZINC000419215477 563235673 /nfs/dbraw/zinc/23/56/73/563235673.db2.gz METCUOLIXKQFDY-IRXDYDNUSA-N 1 0 377.282 2.823 20 0 GFADRO O=C(NC1CC([NH+]2CCCCC2)C1)c1cc(Br)c2c(c1)OCCO2 ZINC000370181760 563235813 /nfs/dbraw/zinc/23/58/13/563235813.db2.gz HUXRHOCKRRFHKB-UHFFFAOYSA-N 1 0 395.297 2.967 20 0 GFADRO CN(CCOc1ccc(Br)cc1)C(=O)C[NH+]1CCC2(CCO2)CC1 ZINC000370237679 563236922 /nfs/dbraw/zinc/23/69/22/563236922.db2.gz AXQIQNJNULUTSC-UHFFFAOYSA-N 1 0 397.313 2.541 20 0 GFADRO COc1cccc2c1C[C@H]([NH2+][C@@H](C(N)=O)c1cccc(Br)c1)C2 ZINC000419327994 563236816 /nfs/dbraw/zinc/23/68/16/563236816.db2.gz MYIJBCLRGWLAEV-RHSMWYFYSA-N 1 0 375.266 2.741 20 0 GFADRO Cc1ncsc1CCS(=O)(=O)NCc1ccccc1C[N@@H+](C)C(C)C ZINC000295242973 563237872 /nfs/dbraw/zinc/23/78/72/563237872.db2.gz VJANSCMRKQHHQO-UHFFFAOYSA-N 1 0 381.567 2.954 20 0 GFADRO O=C(Cc1cc[nH]c(=O)c1Br)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000278048660 563238174 /nfs/dbraw/zinc/23/81/74/563238174.db2.gz SUERJPVRWAMRAX-CQSZACIVSA-N 1 0 382.302 2.569 20 0 GFADRO Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)N1CC[N@@H+](C2CC2)C[C@H](C)C1 ZINC000295307204 563241028 /nfs/dbraw/zinc/24/10/28/563241028.db2.gz JYQFFNMIOBTXJU-JTQLQIEISA-N 1 0 378.826 2.806 20 0 GFADRO CN(Cc1cc(Br)cn1C)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000278113938 563241561 /nfs/dbraw/zinc/24/15/61/563241561.db2.gz KTWWTFBLUUDOBG-UHFFFAOYSA-N 1 0 383.334 2.803 20 0 GFADRO C[C@@H](Cc1c(Cl)cccc1Cl)NC(=O)C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000419590682 563242231 /nfs/dbraw/zinc/24/22/31/563242231.db2.gz KIDDWTLBDXBEHZ-QWHCGFSZSA-N 1 0 386.323 2.547 20 0 GFADRO C[C@H](C(=O)Nc1ccccc1Br)N1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000370414389 563243467 /nfs/dbraw/zinc/24/34/67/563243467.db2.gz KDICEBIIKQKZHI-ZIAGYGMSSA-N 1 0 398.370 2.899 20 0 GFADRO CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)c3cc(F)ccc3Br)C2)CC1 ZINC000370423400 563243618 /nfs/dbraw/zinc/24/36/18/563243618.db2.gz LCSAPOQCNZYHLQ-OAHLLOKOSA-N 1 0 398.320 2.829 20 0 GFADRO CCC(CC)(CNC(=O)C(=O)N(C)[C@@H](C)C[NH3+])c1ccc(Cl)c(Cl)c1 ZINC000419657982 563244818 /nfs/dbraw/zinc/24/48/18/563244818.db2.gz XFJCQYLZOJGAKH-LBPRGKRZSA-N 1 0 388.339 2.973 20 0 GFADRO COCc1ccccc1C[NH2+]C1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000370578141 563249826 /nfs/dbraw/zinc/24/98/26/563249826.db2.gz RSYRXPHBWWNLIR-UHFFFAOYSA-N 1 0 380.535 2.837 20 0 GFADRO COCCO[C@H]1C[C@H](CO)C[N@H+](CCOc2cc(Cl)ccc2Cl)C1 ZINC000278315818 563250441 /nfs/dbraw/zinc/25/04/41/563250441.db2.gz NAPFWCOERHYVNO-ZFWWWQNUSA-N 1 0 378.296 2.718 20 0 GFADRO C[C@H](CO)[N@@H+]1CCCN(C(=O)Nc2c(F)cc(F)cc2Br)CC1 ZINC000370631412 563250733 /nfs/dbraw/zinc/25/07/33/563250733.db2.gz OPHXTVWBIGJHAT-SNVBAGLBSA-N 1 0 392.244 2.648 20 0 GFADRO CCC[C@@H](O)[C@H](CO)[NH2+]Cc1cc(Br)cc(Br)c1 ZINC000419807259 563251248 /nfs/dbraw/zinc/25/12/48/563251248.db2.gz FOOPTJQCXNTHDJ-QWHCGFSZSA-N 1 0 381.108 2.823 20 0 GFADRO [NH3+]CCCCNC(=O)C(=O)N1CCC(=Cc2cc(Cl)ccc2Cl)CC1 ZINC000419835994 563251932 /nfs/dbraw/zinc/25/19/32/563251932.db2.gz WVOZMBGOKIDEMT-UHFFFAOYSA-N 1 0 384.307 2.854 20 0 GFADRO CS[C@H]1CN(C(=O)c2sc(-c3c(C)noc3C)nc2C)C[C@H]1[NH+](C)C ZINC000295539346 563252117 /nfs/dbraw/zinc/25/21/17/563252117.db2.gz ODGDHBUXSRGFGJ-OLZOCXBDSA-N 1 0 380.539 2.841 20 0 GFADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NCc1ccccc1Br ZINC000278368942 563252476 /nfs/dbraw/zinc/25/24/76/563252476.db2.gz BRMJLFLPUOYWKP-CQSZACIVSA-N 1 0 396.329 2.844 20 0 GFADRO O=C(NCC[C@@H]1CC[NH2+]C1)C(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000419908414 563252646 /nfs/dbraw/zinc/25/26/46/563252646.db2.gz DTVUXPNEHRHQSC-LRDDRELGSA-N 1 0 384.307 2.773 20 0 GFADRO CCn1cc(Br)cc1C(=O)NC[C@H]1CCC[C@H]1[NH+]1CCOCC1 ZINC000370760229 563254109 /nfs/dbraw/zinc/25/41/09/563254109.db2.gz NIDLILFONZFLHH-UKRRQHHQSA-N 1 0 384.318 2.501 20 0 GFADRO C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N(C1CC1)C1CC[NH2+]CC1 ZINC000370785492 563255566 /nfs/dbraw/zinc/25/55/66/563255566.db2.gz FIGGGLHHOYCVOZ-LLVKDONJSA-N 1 0 384.307 2.855 20 0 GFADRO C[C@H](Cc1ccc(F)c(Br)c1)C(=O)NC[C@@](C)(O)CC[NH+](C)C ZINC000420010154 563256083 /nfs/dbraw/zinc/25/60/83/563256083.db2.gz GKHBUYZAFGOJPG-PXAZEXFGSA-N 1 0 389.309 2.586 20 0 GFADRO O=C(c1c(Cl)cccc1Cl)N1CC[NH+](C[C@@H]2CCNC(=O)CC2)CC1 ZINC000295655851 563256297 /nfs/dbraw/zinc/25/62/97/563256297.db2.gz ZSEZQFLWRUENFM-ZDUSSCGKSA-N 1 0 384.307 2.668 20 0 GFADRO O=S1(=O)CC[C@@]2(C1)C[C@H]([NH2+]CCCc1c(F)cccc1Cl)CCO2 ZINC000278461545 563257135 /nfs/dbraw/zinc/25/71/35/563257135.db2.gz FBPQFROLZPQIMO-DYVFJYSZSA-N 1 0 375.893 2.738 20 0 GFADRO CN(C(=O)Cc1cccc(Br)c1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000370847284 563257518 /nfs/dbraw/zinc/25/75/18/563257518.db2.gz ZEAMQLPDXIRUBV-GOSISDBHSA-N 1 0 394.357 2.619 20 0 GFADRO C[NH+](C)CC[C@@](C)(O)CNC(=O)c1ccccc1SCc1cscn1 ZINC000420044084 563257619 /nfs/dbraw/zinc/25/76/19/563257619.db2.gz PFCCTYNLELKZQR-GOSISDBHSA-N 1 0 379.551 2.868 20 0 GFADRO Ic1ccc2ncnc(N3CCC[C@]4(CC[NH2+]C4)C3)c2c1 ZINC000420251111 563261259 /nfs/dbraw/zinc/26/12/59/563261259.db2.gz KWFPYOWHWUFOTA-MRXNPFEDSA-N 1 0 394.260 2.814 20 0 GFADRO Cc1ccc(Br)cc1-c1nnc(N2CCC(O)(C[NH3+])CC2)s1 ZINC000420268001 563261390 /nfs/dbraw/zinc/26/13/90/563261390.db2.gz GHLUVQPZWHRBMW-UHFFFAOYSA-N 1 0 383.315 2.566 20 0 GFADRO CSCC[C@H](O)C(=O)N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000295773625 563261696 /nfs/dbraw/zinc/26/16/96/563261696.db2.gz IRNLUZBSPISORN-GJZGRUSLSA-N 1 0 376.444 2.510 20 0 GFADRO C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420370290 563262965 /nfs/dbraw/zinc/26/29/65/563262965.db2.gz LGAFWKZDLKSCCU-BEFAXECRSA-N 1 0 394.357 2.872 20 0 GFADRO O=S(=O)(c1ccc(C(F)(F)F)cc1F)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420456186 563263733 /nfs/dbraw/zinc/26/37/33/563263733.db2.gz GSAUPKWFEGIVJM-SMDDNHRTSA-N 1 0 380.407 2.997 20 0 GFADRO [NH3+]CCC[C@H](NS(=O)(=O)c1ccc(Br)cn1)c1ccccc1 ZINC000420461076 563264399 /nfs/dbraw/zinc/26/43/99/563264399.db2.gz LQZMBKKYQWZIAG-AWEZNQCLSA-N 1 0 384.299 2.603 20 0 GFADRO CC1(C)C[NH2+]CC[C@@H]1NS(=O)(=O)c1ccc(Br)c(Cl)c1 ZINC000420465424 563264413 /nfs/dbraw/zinc/26/44/13/563264413.db2.gz QCXGSTVSKPTJOA-LBPRGKRZSA-N 1 0 381.723 2.769 20 0 GFADRO COc1ccc(Cl)c(S(=O)(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)c1 ZINC000420472603 563265187 /nfs/dbraw/zinc/26/51/87/563265187.db2.gz SQJZRPAGHYZNPP-XJKSGUPXSA-N 1 0 384.860 2.603 20 0 GFADRO O=S(=O)(c1sccc1Br)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420471667 563265192 /nfs/dbraw/zinc/26/51/92/563265192.db2.gz YNDXCFOMWOQKIB-JQWIXIFHSA-N 1 0 379.345 2.663 20 0 GFADRO C[C@@H]1CCN(S(=O)(=O)c2cccc(Br)c2Cl)C[C@@H]1C[NH3+] ZINC000420477463 563265804 /nfs/dbraw/zinc/26/58/04/563265804.db2.gz JVIDJWRTBFAVSW-ZJUUUORDSA-N 1 0 381.723 2.708 20 0 GFADRO COCCn1cc(C[NH2+][C@@H]2CCN(c3cccc(Br)c3)C2)cn1 ZINC000278731648 563268103 /nfs/dbraw/zinc/26/81/03/563268103.db2.gz LWNLFDSTEBUEDJ-MRXNPFEDSA-N 1 0 379.302 2.661 20 0 GFADRO C[C@H](NC(=O)Cc1cc[nH]c(=O)c1Br)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000278729191 563268377 /nfs/dbraw/zinc/26/83/77/563268377.db2.gz RUJXZNDSQCKKGU-GXTWGEPZSA-N 1 0 396.329 2.861 20 0 GFADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1c[nH]c2cccc(Br)c12 ZINC000371199322 563268639 /nfs/dbraw/zinc/26/86/39/563268639.db2.gz SLSYJWHLZFTJQD-VXGBXAGGSA-N 1 0 378.270 2.523 20 0 GFADRO COc1cc(Br)c(CNC(=O)[C@H]2CCC[N@@H+]2C2CC2)cc1OC ZINC000278796119 563270316 /nfs/dbraw/zinc/27/03/16/563270316.db2.gz WCTHBVKYVDNBKL-CQSZACIVSA-N 1 0 383.286 2.709 20 0 GFADRO CN(Cc1ccc(Cl)s1)C(=O)CN1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000371299414 563271792 /nfs/dbraw/zinc/27/17/92/563271792.db2.gz GPVAQOQBIDSMJK-NUEKZKHPSA-N 1 0 385.961 2.543 20 0 GFADRO NC(=O)C1(C[NH2+][C@@H](Cc2ccccc2Br)C2CC2)CCOCC1 ZINC000296033923 563272150 /nfs/dbraw/zinc/27/21/50/563272150.db2.gz QHVQQWJEBHZCRW-INIZCTEOSA-N 1 0 381.314 2.642 20 0 GFADRO C[C@@]1(C2CC[NH+](Cc3cnc(-c4cccs4)s3)CC2)NC(=O)NC1=O ZINC000371328004 563272522 /nfs/dbraw/zinc/27/25/22/563272522.db2.gz QYHAKFDINYQVRZ-KRWDZBQOSA-N 1 0 376.507 2.682 20 0 GFADRO O=S(=O)(c1cc(F)ccc1OC(F)F)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000420676732 563273166 /nfs/dbraw/zinc/27/31/66/563273166.db2.gz LQUNVCGCLUEOFT-CYBMUJFWSA-N 1 0 378.416 2.676 20 0 GFADRO C[C@@H](C[NH+]1CCC([C@]2(C)NC(=O)NC2=O)CC1)c1cccc(Br)c1 ZINC000371331316 563273369 /nfs/dbraw/zinc/27/33/69/563273369.db2.gz GQCHHHVPFCGSDV-SGTLLEGYSA-N 1 0 394.313 2.863 20 0 GFADRO Cc1cc(Br)cc(NC(=O)C(=O)NC2CC[NH+](C3CCC3)CC2)c1 ZINC000296096649 563274510 /nfs/dbraw/zinc/27/45/10/563274510.db2.gz GIBAURLSOZQSFC-UHFFFAOYSA-N 1 0 394.313 2.829 20 0 GFADRO CC[C@@H](NC(=O)NC1CC[NH+](Cc2cccs2)CC1)[C@H](O)C(F)(F)F ZINC000371379768 563274974 /nfs/dbraw/zinc/27/49/74/563274974.db2.gz RKILSHDJAYNYCA-KGLIPLIRSA-N 1 0 379.448 2.714 20 0 GFADRO C[C@H](Cc1ccc(Br)cc1)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000371370833 563275422 /nfs/dbraw/zinc/27/54/22/563275422.db2.gz ZEDZYFDSSBRLOB-COXVUDFISA-N 1 0 381.314 2.607 20 0 GFADRO CN(C)S(=O)(=O)c1ccc(OCC[N@@H+]2CC[C@@H](CC(F)(F)F)C2)cc1 ZINC000278914880 563275884 /nfs/dbraw/zinc/27/58/84/563275884.db2.gz WDHCGIVDHPWRHP-ZDUSSCGKSA-N 1 0 380.432 2.590 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)C(=O)Nc1nc(C2CCC2)cs1)c1cccs1 ZINC000278918000 563275916 /nfs/dbraw/zinc/27/59/16/563275916.db2.gz REOBHTSGCLELPD-CYBMUJFWSA-N 1 0 378.523 2.830 20 0 GFADRO O=C(Nc1cccc(Br)c1)C(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000296199010 563277952 /nfs/dbraw/zinc/27/79/52/563277952.db2.gz OEFAAHTYCPEENI-UHFFFAOYSA-N 1 0 380.286 2.521 20 0 GFADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)c3nc4cc(Cl)ccc4s3)C2)CC1 ZINC000296207920 563278866 /nfs/dbraw/zinc/27/88/66/563278866.db2.gz NVLMJMHIRBKQHN-CQSZACIVSA-N 1 0 378.929 2.802 20 0 GFADRO C[NH+](C)C1CCC(NS(=O)(=O)Cc2ccc(Br)c(F)c2)CC1 ZINC000420722789 563279651 /nfs/dbraw/zinc/27/96/51/563279651.db2.gz GDLWMFYITXXWFI-UHFFFAOYSA-N 1 0 393.322 2.880 20 0 GFADRO C[NH+](C)C[C@H]1CCN(C(=O)N[C@@H]2CCN(c3cccc(Br)c3)C2)C1 ZINC000279065727 563282709 /nfs/dbraw/zinc/28/27/09/563282709.db2.gz QLODWXCAYPSKLL-GDBMZVCRSA-N 1 0 395.345 2.621 20 0 GFADRO C[NH+](C)C1CCC(NC(=O)NCCOc2ccc(Br)cc2)CC1 ZINC000420779223 563285505 /nfs/dbraw/zinc/28/55/05/563285505.db2.gz LGKQKPNSMCHLKC-UHFFFAOYSA-N 1 0 384.318 3.000 20 0 GFADRO COc1cc(I)ccc1NC(=O)CC1CC[NH+](C)CC1 ZINC000296442203 563287112 /nfs/dbraw/zinc/28/71/12/563287112.db2.gz NNRNRSZOBVGRGN-UHFFFAOYSA-N 1 0 388.249 2.970 20 0 GFADRO C[C@H](NC(=O)C(=O)N(C)C[C@H]1CCC[N@@H+]1C)c1cc(F)c(Cl)cc1Cl ZINC000420832498 563288201 /nfs/dbraw/zinc/28/82/01/563288201.db2.gz BKGPIBIRLZYVEA-WDEREUQCSA-N 1 0 390.286 2.862 20 0 GFADRO COC(=O)c1cc(NC(=O)N(C)C[C@H]2CCC[N@@H+]2C)ccc1Br ZINC000421096148 563295528 /nfs/dbraw/zinc/29/55/28/563295528.db2.gz VQQXTACCSGPPDV-GFCCVEGCSA-N 1 0 384.274 2.794 20 0 GFADRO COCCC[N@@H+]1CCCN(C(=O)Cc2cc(F)ccc2Br)CC1 ZINC000372110817 563295723 /nfs/dbraw/zinc/29/57/23/563295723.db2.gz JVLYVXVDZBWLKV-UHFFFAOYSA-N 1 0 387.293 2.702 20 0 GFADRO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H](C(N)=O)c2cccc(Br)c2)C[C@@H]1C ZINC000279645450 563304665 /nfs/dbraw/zinc/30/46/65/563304665.db2.gz JTEFTNHPFVWMEL-KSYCFECVSA-N 1 0 397.313 2.933 20 0 GFADRO C[NH+](C)C1CCC(NC(=O)C(=O)Nc2cc(Br)ccc2F)CC1 ZINC000421289375 563305239 /nfs/dbraw/zinc/30/52/39/563305239.db2.gz PQOVQJYZXMMQKT-UHFFFAOYSA-N 1 0 386.265 2.516 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000421302951 563306527 /nfs/dbraw/zinc/30/65/27/563306527.db2.gz RPFJETCNULUBBQ-AWEZNQCLSA-N 1 0 382.302 2.557 20 0 GFADRO O=C(Nc1ccnn1Cc1ccc(Br)cc1)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000372504336 563308279 /nfs/dbraw/zinc/30/82/79/563308279.db2.gz PVMFDTOAGLEBPU-YOEHRIQHSA-N 1 0 375.270 2.632 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)C[C@@H]1CCC[NH2+]CC1 ZINC000372497897 563308469 /nfs/dbraw/zinc/30/84/69/563308469.db2.gz SDASGCUETCVGOD-CQSZACIVSA-N 1 0 396.329 2.982 20 0 GFADRO CC(C)[N@@H+](Cc1cc(Br)cc(Br)c1)C[C@@H](O)CO ZINC000421409553 563309763 /nfs/dbraw/zinc/30/97/63/563309763.db2.gz MUARDUYHWCUOKR-CYBMUJFWSA-N 1 0 381.108 2.775 20 0 GFADRO CN1CCC[C@@]2(CC[N@H+](C[C@H](O)COc3cc(Cl)ccc3Cl)C2)C1=O ZINC000372553779 563310030 /nfs/dbraw/zinc/31/00/30/563310030.db2.gz BYHNMMGMMFRZMC-KSSFIOAISA-N 1 0 387.307 2.677 20 0 GFADRO CS(=O)(=O)C1(C[NH2+]CC2=Cc3cc(Br)ccc3OC2)CCC1 ZINC000279778493 563310207 /nfs/dbraw/zinc/31/02/07/563310207.db2.gz LDDSMUHWSMRAHD-UHFFFAOYSA-N 1 0 386.311 2.782 20 0 GFADRO C[C@@H](C(=O)Nc1ccc(Br)cc1)[N@@H+]1CC[C@@]2(C1)CCCN(C)C2=O ZINC000372558842 563311025 /nfs/dbraw/zinc/31/10/25/563311025.db2.gz WDTIRUZSPLWMSD-SCLBCKFNSA-N 1 0 394.313 2.720 20 0 GFADRO CN(C(=O)c1cc(=O)[nH]c2ccc(Br)cc21)[C@@H]1CCC[NH2+]CC1 ZINC000372566033 563311156 /nfs/dbraw/zinc/31/11/56/563311156.db2.gz CHNMUAPOZWMVFR-GFCCVEGCSA-N 1 0 378.270 2.917 20 0 GFADRO CCC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2ccc(OC(F)F)c(F)c2)C1 ZINC000279818944 563311935 /nfs/dbraw/zinc/31/19/35/563311935.db2.gz QJPLZSDTMCBLHE-LBPRGKRZSA-N 1 0 380.432 2.780 20 0 GFADRO C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1)c1ccc(Br)cn1 ZINC000279917810 563314229 /nfs/dbraw/zinc/31/42/29/563314229.db2.gz HEQALEQKGYIHJS-LRDDRELGSA-N 1 0 382.302 2.665 20 0 GFADRO C[C@H]([NH2+]C[C@@H]1CCC[C@@]12NC(=O)N(C)C2=O)c1ccc(Br)cc1F ZINC000372708458 563314445 /nfs/dbraw/zinc/31/44/45/563314445.db2.gz ZBEIVIRPRQHMAZ-PSVSLLHZSA-N 1 0 398.276 2.959 20 0 GFADRO O=C(NCCCC[N@H+]1CCC[C@H]1CO)c1c(F)ccc(Br)c1F ZINC000279910168 563314550 /nfs/dbraw/zinc/31/45/50/563314550.db2.gz PPGHXFKCAJJMFN-NSHDSACASA-N 1 0 391.256 2.694 20 0 GFADRO C[C@@H](CO)[N@@H+]1CCCN(C(=O)c2ccc(Br)cc2Cl)CC1 ZINC000372727451 563315436 /nfs/dbraw/zinc/31/54/36/563315436.db2.gz PORQTUNNQFTXHF-NSHDSACASA-N 1 0 375.694 2.631 20 0 GFADRO CC[C@H](Cc1cccc(Br)c1)C(=O)N1CCC[N@@H+]([C@@H](C)CO)CC1 ZINC000372733308 563315480 /nfs/dbraw/zinc/31/54/80/563315480.db2.gz WSKNOBNSZIXEPE-DOTOQJQBSA-N 1 0 397.357 2.933 20 0 GFADRO C[C@@H]1CN(C(=O)Nc2ccc3nccnc3c2Br)C[C@H](C)[N@H+]1C ZINC000297115683 563316265 /nfs/dbraw/zinc/31/62/65/563316265.db2.gz RGPWLZQKMHCIBT-PHIMTYICSA-N 1 0 378.274 2.949 20 0 GFADRO CCO[C@@H](CC[NH+](C)C)CNC(=O)N[C@@H](c1nc(C)cs1)C(F)(F)F ZINC000297112341 563316278 /nfs/dbraw/zinc/31/62/78/563316278.db2.gz QNJXOMBHGBTKGD-RYUDHWBXSA-N 1 0 382.452 2.711 20 0 GFADRO Cc1c(Br)cccc1CC(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000372793010 563318186 /nfs/dbraw/zinc/31/81/86/563318186.db2.gz ITYAXTMAHOFETE-INIZCTEOSA-N 1 0 381.314 2.670 20 0 GFADRO [NH3+][C@@H]1CN(C(=O)c2ccc(Br)cn2)CC[C@@H]1c1ccc(F)cc1 ZINC000297202335 563319594 /nfs/dbraw/zinc/31/95/94/563319594.db2.gz MUENUEFLRIHLAV-HUUCEWRRSA-N 1 0 378.245 2.940 20 0 GFADRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)c1cc(F)c(F)cc1I ZINC000421715179 563320209 /nfs/dbraw/zinc/32/02/09/563320209.db2.gz XIOOKRIQUCMKOP-SECBINFHSA-N 1 0 394.203 2.736 20 0 GFADRO C[NH+](C)[C@H]1CCCN(C(=O)c2csc(I)c2)CC1 ZINC000372874037 563320738 /nfs/dbraw/zinc/32/07/38/563320738.db2.gz VNGXDLHMZASXBA-NSHDSACASA-N 1 0 378.279 2.909 20 0 GFADRO C[C@H]([NH2+]C[C@H]1CCCC[C@@H]1O)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000280101333 563322439 /nfs/dbraw/zinc/32/24/39/563322439.db2.gz NBJQCGUKUSAOKY-RBZYPMLTSA-N 1 0 381.325 2.843 20 0 GFADRO O=C(Cc1ccc(I)cc1)NC1CC[NH+](C2CCC2)CC1 ZINC000297329307 563323437 /nfs/dbraw/zinc/32/34/37/563323437.db2.gz ZSVGNNBVBDAIAJ-UHFFFAOYSA-N 1 0 398.288 2.967 20 0 GFADRO O=C1NC2(CCSCC2)C(=O)N1CC1([NH+]2CCSCC2)CCCCC1 ZINC000372959154 563323597 /nfs/dbraw/zinc/32/35/97/563323597.db2.gz QCCUBNRAOXUVDH-UHFFFAOYSA-N 1 0 383.583 2.556 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CN[C@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000280184163 563326170 /nfs/dbraw/zinc/32/61/70/563326170.db2.gz RUNNUVFGRCVONM-MNOVXSKESA-N 1 0 380.341 2.776 20 0 GFADRO CN1CCC([NH+]2CCC(CCNC(=O)c3ccoc3Br)CC2)CC1 ZINC000373102573 563328542 /nfs/dbraw/zinc/32/85/42/563328542.db2.gz AVFYRFIOTGPYMO-UHFFFAOYSA-N 1 0 398.345 2.968 20 0 GFADRO COC[C@H](C)OC[C@H](O)C[N@H+](C)[C@@H]1CCOc2ccc(Br)cc21 ZINC000373174433 563331350 /nfs/dbraw/zinc/33/13/50/563331350.db2.gz VYRUPZXAXPUMND-JGGQBBKZSA-N 1 0 388.302 2.617 20 0 GFADRO CCOCCOc1ccc(Br)cc1C[N@@H+]1CC[C@@](C)(C(N)=O)C1 ZINC000280346790 563332477 /nfs/dbraw/zinc/33/24/77/563332477.db2.gz SMAGUXAWOZLTQC-QGZVFWFLSA-N 1 0 385.302 2.562 20 0 GFADRO C[NH+]1CCC(n2ccc(NC(=O)Cc3ccc(Br)cc3)n2)CC1 ZINC000373291452 563333989 /nfs/dbraw/zinc/33/39/89/563333989.db2.gz KYRKDXUHLAOLHR-UHFFFAOYSA-N 1 0 377.286 3.094 20 0 GFADRO COc1cc(Br)ccc1C[NH2+][C@H]1CCCN(Cc2noc(C)n2)C1 ZINC000373308610 563334854 /nfs/dbraw/zinc/33/48/54/563334854.db2.gz AULFXEJFNRIRSU-HNNXBMFYSA-N 1 0 395.301 2.903 20 0 GFADRO C[NH+](C)C1CCC(NC(=O)C(=O)NCCc2c(Cl)cccc2Cl)CC1 ZINC000422266627 563334901 /nfs/dbraw/zinc/33/49/01/563334901.db2.gz KMUKHKGDUJBKQI-UHFFFAOYSA-N 1 0 386.323 2.641 20 0 GFADRO CC[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)N[C@@H]1CC[N@H+](CC)C1 ZINC000422302989 563337059 /nfs/dbraw/zinc/33/70/59/563337059.db2.gz SHBTYILWNVCUEG-HUUCEWRRSA-N 1 0 386.323 2.641 20 0 GFADRO O=C(C[NH2+][C@@H](c1cccc(Br)c1)C1CCOCC1)NCC(F)F ZINC000280447472 563337881 /nfs/dbraw/zinc/33/78/81/563337881.db2.gz DCIWBEQNZHHTAK-MRXNPFEDSA-N 1 0 391.256 2.888 20 0 GFADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1cc(F)c(Br)cc1Cl ZINC000373473066 563339236 /nfs/dbraw/zinc/33/92/36/563339236.db2.gz GPURZUMFWNEQEK-ZJUUUORDSA-N 1 0 391.668 2.835 20 0 GFADRO CS(=O)(=O)Nc1c[nH]nc1[C@@H]1CCCN(c2ccnc3ccsc32)C1 ZINC000373551999 563341441 /nfs/dbraw/zinc/34/14/41/563341441.db2.gz MXVWAFBAPMSPDB-LLVKDONJSA-N 1 0 377.495 2.775 20 0 GFADRO C[C@@H]1C[C@H](C)N(S(=O)(=O)c2cc(Cl)ccc2OC(F)F)C[C@@H]1C[NH3+] ZINC000422555421 563342858 /nfs/dbraw/zinc/34/28/58/563342858.db2.gz PSDLTNQFWUVTMW-VWYCJHECSA-N 1 0 382.860 2.935 20 0 GFADRO C[C@@H]1C[C@@H](C)N(S(=O)(=O)c2cc(Br)ccc2F)C[C@@H]1C[NH3+] ZINC000422558665 563343295 /nfs/dbraw/zinc/34/32/95/563343295.db2.gz ZGVHLWTXSGFRLY-MXWKQRLJSA-N 1 0 379.295 2.582 20 0 GFADRO O=S(=O)(c1cc(Cl)ccc1Br)N1CCC2(CC[NH2+]2)CC1 ZINC000422556654 563343396 /nfs/dbraw/zinc/34/33/96/563343396.db2.gz UEHAFLMCQJPUJU-UHFFFAOYSA-N 1 0 379.707 2.619 20 0 GFADRO Cc1cc(NC(=O)C(=O)NC2CC([NH+]3CCCCC3)C2)ccc1Br ZINC000373766421 563350517 /nfs/dbraw/zinc/35/05/17/563350517.db2.gz MZTKSYVXGWOLER-UHFFFAOYSA-N 1 0 394.313 2.829 20 0 GFADRO CC1=C(Br)CN(C(=O)NCc2ccnc(OCC[NH+](C)C)c2)CC1 ZINC000280718596 563351093 /nfs/dbraw/zinc/35/10/93/563351093.db2.gz HWZNXQTUQRROCR-UHFFFAOYSA-N 1 0 397.317 2.606 20 0 GFADRO C[NH+](C)[C@@H]1CCCN(C(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)CC1 ZINC000373794878 563351320 /nfs/dbraw/zinc/35/13/20/563351320.db2.gz JWHFWEIFOZNPEJ-CYBMUJFWSA-N 1 0 375.441 2.631 20 0 GFADRO C[C@@H](NC(=O)C(=O)N1CCC2(CC[NH2+]2)CC1)c1cc(F)c(Cl)cc1Cl ZINC000422956281 563351723 /nfs/dbraw/zinc/35/17/23/563351723.db2.gz PBVNJHLQMMOVFD-SNVBAGLBSA-N 1 0 388.270 2.664 20 0 GFADRO CCCCOCCC[NH2+][C@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000280752661 563352640 /nfs/dbraw/zinc/35/26/40/563352640.db2.gz PZPMRDLGMZBNEK-GFCCVEGCSA-N 1 0 393.347 2.954 20 0 GFADRO CCOC(=O)[C@H]1NCC[C@H]1[NH2+]CCc1csc(-c2ccc(Cl)cc2)n1 ZINC000423013011 563353079 /nfs/dbraw/zinc/35/30/79/563353079.db2.gz LVDAWPRFHPRSHR-CVEARBPZSA-N 1 0 379.913 2.889 20 0 GFADRO CC(=O)NCc1ccc(-c2nc(NC(=O)[C@@H]([NH3+])C3CCC3)sc2C)s1 ZINC000423018645 563353214 /nfs/dbraw/zinc/35/32/14/563353214.db2.gz RNASYGXZLUTWKM-AWEZNQCLSA-N 1 0 378.523 2.882 20 0 GFADRO C[C@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)C(=O)N1CCn2cncc2C1 ZINC000298424062 563354545 /nfs/dbraw/zinc/35/45/45/563354545.db2.gz URNYJWGNVOAVFP-LLVKDONJSA-N 1 0 381.263 2.752 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000423092204 563354877 /nfs/dbraw/zinc/35/48/77/563354877.db2.gz AXMMKNBEJQUJOS-NORZTCDRSA-N 1 0 384.307 2.853 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)[C@H]1C[C@H](C)CC[NH2+]1 ZINC000423114317 563356369 /nfs/dbraw/zinc/35/63/69/563356369.db2.gz VENSYUAIETUFAV-IAQYHMDHSA-N 1 0 382.302 2.590 20 0 GFADRO C[C@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000423113218 563356381 /nfs/dbraw/zinc/35/63/81/563356381.db2.gz KOBYSCFJSAPJDU-MRVWCRGKSA-N 1 0 384.307 2.581 20 0 GFADRO COC(=O)C1CC[NH+](CCCNC(=O)Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000298481226 563356985 /nfs/dbraw/zinc/35/69/85/563356985.db2.gz DZDKJKILCDYYMF-UHFFFAOYSA-N 1 0 387.307 2.927 20 0 GFADRO CCN1CC[NH+](CCCCNC(=O)/C=C/c2ccccc2Br)CC1 ZINC000298499685 563357551 /nfs/dbraw/zinc/35/75/51/563357551.db2.gz YKDLVWXFHMEWFN-MDZDMXLPSA-N 1 0 394.357 2.996 20 0 GFADRO C[C@@H]([NH2+]C[C@H](CO)Cc1cc(F)cc(Br)c1)c1cnccc1N ZINC000423167190 563357900 /nfs/dbraw/zinc/35/79/00/563357900.db2.gz DSJMEFVTNHKVEU-DGCLKSJQSA-N 1 0 382.277 2.898 20 0 GFADRO C[C@@H](C(=O)NCc1ccccc1)[NH+]1CCC(n2cc(Br)cn2)CC1 ZINC000374011316 563358218 /nfs/dbraw/zinc/35/82/18/563358218.db2.gz HUFLJYVKSIDDEX-AWEZNQCLSA-N 1 0 391.313 2.987 20 0 GFADRO C[C@@H](C[C@H]1COCCN1)[NH2+]C1CCN(Cc2cccc(Br)c2)CC1 ZINC000423188856 563358421 /nfs/dbraw/zinc/35/84/21/563358421.db2.gz QQVJGXMGFNHKDK-KXBFYZLASA-N 1 0 396.373 2.770 20 0 GFADRO CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000423195666 563358503 /nfs/dbraw/zinc/35/85/03/563358503.db2.gz XZDDEDHNNSDGKO-CZUORRHYSA-N 1 0 384.307 2.552 20 0 GFADRO [NH3+]CC1(CC(=O)NCCSCCOc2cccc(Br)c2)CC1 ZINC000423191904 563358751 /nfs/dbraw/zinc/35/87/51/563358751.db2.gz UCDUJYCEMNHIMV-UHFFFAOYSA-N 1 0 387.343 2.806 20 0 GFADRO CC[C@H]([NH2+][C@@H](C)Cc1cc(C)n[nH]1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000280930158 563360841 /nfs/dbraw/zinc/36/08/41/563360841.db2.gz RPPYZWLOCIYYFC-ZBEGNZNMSA-N 1 0 384.933 2.952 20 0 GFADRO C[C@H](c1ccccc1Br)N(C)C(=O)C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000423561345 563362147 /nfs/dbraw/zinc/36/21/47/563362147.db2.gz LRIYQJUOZAGGHO-KGLIPLIRSA-N 1 0 396.329 2.556 20 0 GFADRO O=S(=O)(c1ccc(CC(F)(F)F)cc1)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000374114687 563362469 /nfs/dbraw/zinc/36/24/69/563362469.db2.gz NDZVGRRREVPDHJ-GOEBONIOSA-N 1 0 376.444 2.944 20 0 GFADRO C[C@H]1[C@H]([NH3+])CCN1C(=O)c1cccn1-c1ccc(I)cc1 ZINC000423684079 563362837 /nfs/dbraw/zinc/36/28/37/563362837.db2.gz ULNMMJBZIRVCLB-SMDDNHRTSA-N 1 0 395.244 2.644 20 0 GFADRO O=C(NC[C@H]1CCC[N@H+](Cc2cccnc2)C1)N1CCC=C(Br)C1 ZINC000374135000 563363080 /nfs/dbraw/zinc/36/30/80/563363080.db2.gz DOLCALPOQRDLKB-MRXNPFEDSA-N 1 0 393.329 2.988 20 0 GFADRO O=C(NC[C@@H]1CCC[N@H+](Cc2cccnc2)C1)N1CCC=C(Br)C1 ZINC000374134993 563363315 /nfs/dbraw/zinc/36/33/15/563363315.db2.gz DOLCALPOQRDLKB-INIZCTEOSA-N 1 0 393.329 2.988 20 0 GFADRO C[C@H]1CN(C(=O)C(=O)N2CCC(c3cccc(Cl)c3Cl)CC2)C[C@@H]1[NH3+] ZINC000423733027 563363373 /nfs/dbraw/zinc/36/33/73/563363373.db2.gz BCYJOOUUWLOOTG-NHYWBVRUSA-N 1 0 384.307 2.505 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)Nc1ccc(NS(C)(=O)=O)cc1)c1ccsc1 ZINC000298667328 563363467 /nfs/dbraw/zinc/36/34/67/563363467.db2.gz RGHKWVHSEWIGMY-HNNXBMFYSA-N 1 0 382.511 2.544 20 0 GFADRO CN(C)c1ncc(Br)cc1C(=O)N1CCCC2(CC[NH+](C)CC2)C1 ZINC000374164342 563364008 /nfs/dbraw/zinc/36/40/08/563364008.db2.gz QRARIMZSOFWHGU-UHFFFAOYSA-N 1 0 395.345 2.858 20 0 GFADRO CC(C)[C@@H](C(=O)NCc1noc(-c2cccc(Br)c2)n1)[C@@H](C)[NH3+] ZINC000423932862 563364233 /nfs/dbraw/zinc/36/42/33/563364233.db2.gz UBKRKJCZVZRCKI-QMTHXVAHSA-N 1 0 381.274 2.735 20 0 GFADRO COc1ccc(Br)c(C(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)c1 ZINC000423928366 563364279 /nfs/dbraw/zinc/36/42/79/563364279.db2.gz HCZWMQSEHJJXLC-DOTOQJQBSA-N 1 0 375.266 2.943 20 0 GFADRO CC(C)[C@@H](C(=O)NCc1noc(-c2cccc(Br)c2)n1)[C@H](C)[NH3+] ZINC000423932861 563364313 /nfs/dbraw/zinc/36/43/13/563364313.db2.gz UBKRKJCZVZRCKI-IINYFYTJSA-N 1 0 381.274 2.735 20 0 GFADRO O=C(CCc1cccc(Br)c1)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000423943238 563365034 /nfs/dbraw/zinc/36/50/34/563365034.db2.gz CLBJIYVNLSDMIQ-UHFFFAOYSA-N 1 0 394.357 2.714 20 0 GFADRO C[C@@H]1CN(C(=O)[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C[C@@]1(C)C[NH3+] ZINC000423987969 563366207 /nfs/dbraw/zinc/36/62/07/563366207.db2.gz XDDAEXGISZPISE-SUFBMKPHSA-N 1 0 384.307 2.790 20 0 GFADRO C[C@@H]1CN(C(=O)c2nn(-c3ccc(F)cc3)cc2Br)C[C@@]1(C)C[NH3+] ZINC000423978676 563366222 /nfs/dbraw/zinc/36/62/22/563366222.db2.gz AHCRSELOHYEXJE-PIGZYNQJSA-N 1 0 395.276 2.831 20 0 GFADRO C[C@H]1CCN(C(=O)c2cc(-c3ccc(Br)cc3)n[nH]2)C[C@@H]1C[NH3+] ZINC000424018243 563367246 /nfs/dbraw/zinc/36/72/46/563367246.db2.gz PXPULKGJDHZZIO-AAEUAGOBSA-N 1 0 377.286 2.896 20 0 GFADRO [NH3+]Cc1cn([C@@H]2CCCN(C(=O)c3cc(Br)ccc3Cl)C2)nn1 ZINC000424003368 563367264 /nfs/dbraw/zinc/36/72/64/563367264.db2.gz PRTXMPQYFIAMDQ-GFCCVEGCSA-N 1 0 398.692 2.630 20 0 GFADRO O=S(=O)(Cc1ccc(Cl)nc1)N1CCNC[C@@H]1c1ccccc1Cl ZINC000374311109 563367616 /nfs/dbraw/zinc/36/76/16/563367616.db2.gz MAJKBJULRRQWTF-OAHLLOKOSA-N 1 0 386.304 2.865 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)C2(c3cc(C(F)(F)F)ccc3Cl)CC2)CCCO1 ZINC000424029453 563367645 /nfs/dbraw/zinc/36/76/45/563367645.db2.gz XZRKEZWVDXDNEA-GFCCVEGCSA-N 1 0 376.806 2.967 20 0 GFADRO C[C@H]1CN(C(=O)c2ccc(Br)c(F)c2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000374319472 563368059 /nfs/dbraw/zinc/36/80/59/563368059.db2.gz YTOFVFYVQXAJAH-SUMWQHHRSA-N 1 0 398.320 2.686 20 0 GFADRO O=S(=O)(Cc1ccc(Cl)nc1)N1CCNC[C@H]1c1cccc(Cl)c1 ZINC000374337552 563368072 /nfs/dbraw/zinc/36/80/72/563368072.db2.gz OMXIFDWIRKLSNR-HNNXBMFYSA-N 1 0 386.304 2.865 20 0 GFADRO O=C(CNCc1cc(O)ccc1Br)N[C@@H]1CCOc2ccccc21 ZINC000374334745 563368238 /nfs/dbraw/zinc/36/82/38/563368238.db2.gz VWWFCYOZISNMKK-MRXNPFEDSA-N 1 0 391.265 2.884 20 0 GFADRO C[C@@H]1C[C@H](C)N(C(=O)C[C@H]2Sc3ccc(Cl)cc3NC2=O)C[C@H]1C[NH3+] ZINC000424058010 563368743 /nfs/dbraw/zinc/36/87/43/563368743.db2.gz UKQUFHUDJIPOMC-AZKPJATDSA-N 1 0 381.929 2.975 20 0 GFADRO C[C@H]1C[N@H+](CCCNC(=O)c2c[nH]c3ncc(Br)cc23)CCCO1 ZINC000281336729 563374181 /nfs/dbraw/zinc/37/41/81/563374181.db2.gz WONMYTGWCIEQQO-LBPRGKRZSA-N 1 0 395.301 2.556 20 0 GFADRO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CCCCS(C)(=O)=O ZINC000424305574 563376281 /nfs/dbraw/zinc/37/62/81/563376281.db2.gz FBTJWUZNEBWSPB-GFCCVEGCSA-N 1 0 391.331 2.581 20 0 GFADRO C[C@@H](C[C@@H]1COCCN1)[NH2+]Cc1cc(Cl)cc(I)c1 ZINC000424375548 563377269 /nfs/dbraw/zinc/37/72/69/563377269.db2.gz KJFPFWNHOPFMSC-IINYFYTJSA-N 1 0 394.684 2.801 20 0 GFADRO C[C@@H]1CC2(CN1S(=O)(=O)c1ccc(Br)s1)CC[NH2+]CC2 ZINC000424387640 563377604 /nfs/dbraw/zinc/37/76/04/563377604.db2.gz GLCAVNXJMBPQTL-SNVBAGLBSA-N 1 0 379.345 2.663 20 0 GFADRO CN(Cc1ccccc1Br)C(=O)CN1CCC2(CCC[N@@H+]2C)CC1 ZINC000374625501 563378156 /nfs/dbraw/zinc/37/81/56/563378156.db2.gz BPOYSBSRNHHSHM-UHFFFAOYSA-N 1 0 394.357 2.968 20 0 GFADRO Cc1cn2c(n1)CN(C(=O)c1cc(I)ccc1C)CC2 ZINC000374676039 563379535 /nfs/dbraw/zinc/37/95/35/563379535.db2.gz FDWIWVTXDGDBLZ-UHFFFAOYSA-N 1 0 381.217 2.761 20 0 GFADRO C[N@H+](CCCO)C1CCN(C(=O)c2cn3cc(Cl)cc(Cl)c3n2)CC1 ZINC000281603948 563380704 /nfs/dbraw/zinc/38/07/04/563380704.db2.gz ANZOWLDMVKMOME-UHFFFAOYSA-N 1 0 385.295 2.560 20 0 GFADRO Cc1c(C(=O)N2CCC[C@@H](CC[NH3+])C2)nnn1-c1cccc(Br)c1 ZINC000281601371 563380760 /nfs/dbraw/zinc/38/07/60/563380760.db2.gz AJOUQMFUTBLXSU-ZDUSSCGKSA-N 1 0 392.301 2.539 20 0 GFADRO CS(=O)(=O)N1CCC[C@H](C[NH2+][C@@H](c2ccc(Cl)cc2)[C@H]2CCOC2)C1 ZINC000374872518 563385001 /nfs/dbraw/zinc/38/50/01/563385001.db2.gz FXXKIJQNPOPHDK-HFTRVMKXSA-N 1 0 386.945 2.679 20 0 GFADRO C[NH+](C)C[C@@](C)(O)CNC(=O)Cc1csc2ccc(Br)cc12 ZINC000281734969 563385662 /nfs/dbraw/zinc/38/56/62/563385662.db2.gz XMNUFTSEDIIMBD-INIZCTEOSA-N 1 0 385.327 2.635 20 0 GFADRO C[C@@H](O)C[NH+]1CCC(CN(C)S(=O)(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000281809480 563387766 /nfs/dbraw/zinc/38/77/66/563387766.db2.gz VTNKUEWYKDGNNH-GFCCVEGCSA-N 1 0 395.352 2.707 20 0 GFADRO COc1c(Br)ccc(C)c1C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000424715790 563388420 /nfs/dbraw/zinc/38/84/20/563388420.db2.gz UVSIPRXDLUBEOV-AWEZNQCLSA-N 1 0 397.313 2.560 20 0 GFADRO O=S(=O)(CCC(F)(F)F)N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000375106232 563390406 /nfs/dbraw/zinc/39/04/06/563390406.db2.gz QUPJKEFZHCIPHM-HRCADAONSA-N 1 0 376.444 2.769 20 0 GFADRO C[C@@H]1CCC[N@H+](Cc2ccccc2CNc2ncc(S(N)(=O)=O)s2)C1 ZINC000301163431 563395154 /nfs/dbraw/zinc/39/51/54/563395154.db2.gz URYQAVXYGIMVIF-CYBMUJFWSA-N 1 0 380.539 2.635 20 0 GFADRO COCC(C)(C)[NH+]1CCN(C(=O)Cc2cc(Br)ccc2F)CC1 ZINC000424989502 563400051 /nfs/dbraw/zinc/40/00/51/563400051.db2.gz INEDYDQBEPTMSW-UHFFFAOYSA-N 1 0 387.293 2.700 20 0 GFADRO COCC(C)(C)[NH+]1CCN(C(=O)Cc2ccc(F)c(Br)c2)CC1 ZINC000424999280 563400638 /nfs/dbraw/zinc/40/06/38/563400638.db2.gz KNZNVDPGNUONLB-UHFFFAOYSA-N 1 0 387.293 2.700 20 0 GFADRO Clc1cccc(CCN2CCN(CC[N@@H+]3CCCOCC3)CC2)c1Cl ZINC000375338566 563400658 /nfs/dbraw/zinc/40/06/58/563400658.db2.gz YNMXIQFWWNMSAT-UHFFFAOYSA-N 1 0 386.367 2.876 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)C(=O)NCc1cnc2n1CCCC2 ZINC000375395079 563402764 /nfs/dbraw/zinc/40/27/64/563402764.db2.gz WEPVFUJZZLTVMM-UHFFFAOYSA-N 1 0 391.269 2.545 20 0 GFADRO C[N@@H+]1C[C@@H]2CCCN(C(=O)c3cnn(-c4ccc(Br)cc4)c3)[C@@H]2C1 ZINC000425048955 563402935 /nfs/dbraw/zinc/40/29/35/563402935.db2.gz DCGKQVGYVUUJPV-SUMWQHHRSA-N 1 0 389.297 2.801 20 0 GFADRO C[S@](=O)C1(C[NH2+]C2CCN(Cc3ccccc3Br)CC2)CC1 ZINC000282401423 563409943 /nfs/dbraw/zinc/40/99/43/563409943.db2.gz PPWWISLERPJRHX-QFIPXVFZSA-N 1 0 385.371 2.914 20 0 GFADRO COCC1(C[NH2+][C@@H](C)c2ccc(Br)c(S(N)(=O)=O)c2)CCC1 ZINC000282463534 563412460 /nfs/dbraw/zinc/41/24/60/563412460.db2.gz GATOFOLMHJHAIX-NSHDSACASA-N 1 0 391.331 2.564 20 0 GFADRO Cc1cnc(NC[C@]2([NH+](C)C)CCSC2)c(I)c1 ZINC000425239716 563414373 /nfs/dbraw/zinc/41/43/73/563414373.db2.gz XHMHKTQEIMSUEA-CYBMUJFWSA-N 1 0 377.295 2.844 20 0 GFADRO COc1cc2[nH+]ccc(NC[C@]3(CCO)CCOC3)c2cc1Br ZINC000425247553 563415093 /nfs/dbraw/zinc/41/50/93/563415093.db2.gz ZWUNQJDTOWBKCM-KRWDZBQOSA-N 1 0 381.270 2.629 20 0 GFADRO Ic1cnc(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)s1 ZINC000375759038 563417058 /nfs/dbraw/zinc/41/70/58/563417058.db2.gz PVCQTNIZAOTWFE-FXAINCCUSA-N 1 0 376.263 2.795 20 0 GFADRO Cc1ccc(C(=O)NC2CC[NH+]([C@H]3CCN(C)C3=O)CC2)c(Cl)c1Cl ZINC000425311297 563418177 /nfs/dbraw/zinc/41/81/77/563418177.db2.gz OZHLIKNUYVQAOJ-AWEZNQCLSA-N 1 0 384.307 2.727 20 0 GFADRO COCC(C)(C)[NH+]1CCN(C(=O)NCc2csc(Br)c2)CC1 ZINC000425403054 563420741 /nfs/dbraw/zinc/42/07/41/563420741.db2.gz JRBQMSJLKJBYQQ-UHFFFAOYSA-N 1 0 390.347 2.763 20 0 GFADRO CN(C)S(=O)(=O)c1ccc(C[NH2+][C@@H]2CCN(C)[C@H]2c2ccccc2)s1 ZINC000425444488 563423096 /nfs/dbraw/zinc/42/30/96/563423096.db2.gz NURXEQLIOACZAI-AEFFLSMTSA-N 1 0 379.551 2.533 20 0 GFADRO C[C@H]([NH2+]Cc1ccc(S(=O)(=O)N(C)C)s1)[C@H]1OCCc2sccc21 ZINC000425449372 563423147 /nfs/dbraw/zinc/42/31/47/563423147.db2.gz SRDKTOMCWFMSOY-MEDUHNTESA-N 1 0 386.564 2.852 20 0 GFADRO C[NH+](C)[C@@H](CNc1ncc(S(N)(=O)=O)s1)c1cccc(C(F)(F)F)c1 ZINC000302225610 563423876 /nfs/dbraw/zinc/42/38/76/563423876.db2.gz RPRBPMYICKCYLF-NSHDSACASA-N 1 0 394.444 2.524 20 0 GFADRO O=C(N1CCC[C@H]([NH+]2CCCC2)C1)C1(c2cncc(Br)c2)CC1 ZINC000375985669 563425700 /nfs/dbraw/zinc/42/57/00/563425700.db2.gz FNFGFIXHKWLZCS-INIZCTEOSA-N 1 0 378.314 2.963 20 0 GFADRO O=S(=O)(CCCC(F)(F)F)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000376153994 563432238 /nfs/dbraw/zinc/43/22/38/563432238.db2.gz BGZOCVAZXSZPMY-BXUZGUMPSA-N 1 0 386.386 2.672 20 0 GFADRO CC[C@@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1ccc(C(=O)OC)cc1Cl ZINC000303545419 563434116 /nfs/dbraw/zinc/43/41/16/563434116.db2.gz GQXFNWUTZQJNSR-CQSZACIVSA-N 1 0 388.917 2.669 20 0 GFADRO COC(=O)C[C@H](NC(=O)C[C@@H]1CCC[NH2+]CC1)c1ccc(Br)cc1 ZINC000376333670 563438177 /nfs/dbraw/zinc/43/81/77/563438177.db2.gz NSKNGJWYPNBJNK-CJNGLKHVSA-N 1 0 397.313 2.949 20 0 GFADRO COCCC[N@@H+]1CCCN(C[C@H](O)c2ccc(F)c(Br)c2)CC1 ZINC000376339458 563438633 /nfs/dbraw/zinc/43/86/33/563438633.db2.gz HNQNEHDKSAZPLJ-KRWDZBQOSA-N 1 0 389.309 2.666 20 0 GFADRO Cc1cc(NC(=O)C(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)cc(C)c1Br ZINC000425821716 563438772 /nfs/dbraw/zinc/43/87/72/563438772.db2.gz RJBYHCXZBGQCFG-DZGCQCFKSA-N 1 0 394.313 2.557 20 0 GFADRO O=C(N[C@H]1CCC[NH2+]CC1)[C@@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl ZINC000376389522 563440707 /nfs/dbraw/zinc/44/07/07/563440707.db2.gz XDCVCVNPRKYJKN-BBRMVZONSA-N 1 0 384.307 2.856 20 0 GFADRO CCOc1ccc(Br)cc1S(=O)(=O)N1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000315748467 563440973 /nfs/dbraw/zinc/44/09/73/563440973.db2.gz GEIZVGALSHOERN-AAEUAGOBSA-N 1 0 391.331 2.596 20 0 GFADRO CCOc1ccc(Br)cc1S(=O)(=O)N1CC[C@H]([NH3+])[C@H](CC)C1 ZINC000316777951 563441690 /nfs/dbraw/zinc/44/16/90/563441690.db2.gz FULRIMLYQZJINR-YPMHNXCESA-N 1 0 391.331 2.596 20 0 GFADRO C[N@@H+]1CCC[C@@H]2CN(S(=O)(=O)c3ccc(Br)c(F)c3)CC[C@@H]21 ZINC000317841676 563442966 /nfs/dbraw/zinc/44/29/66/563442966.db2.gz RJQGZLHPZZQCOG-ABAIWWIYSA-N 1 0 391.306 2.693 20 0 GFADRO Cc1ccc(C[NH+](C)C)cc1NC(=O)c1cc(Cl)sc1S(N)(=O)=O ZINC000283441158 563445219 /nfs/dbraw/zinc/44/52/19/563445219.db2.gz NIKYGADZUXDNGS-UHFFFAOYSA-N 1 0 387.914 2.671 20 0 GFADRO CN(CCN1CCOCC1)c1nnc(CSc2ccc(Cl)cc2)n1C ZINC000283481659 563446143 /nfs/dbraw/zinc/44/61/43/563446143.db2.gz KSVVEPKFOGQEBD-UHFFFAOYSA-N 1 0 381.933 2.529 20 0 GFADRO O=S(=O)(c1c(Cl)cccc1Br)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000376586859 563447610 /nfs/dbraw/zinc/44/76/10/563447610.db2.gz NXQJBSZUPLOWPM-SNVBAGLBSA-N 1 0 379.707 2.571 20 0 GFADRO [NH3+]C[C@@H]1CCCC[C@@]12NC(=O)N(Cc1cc(Br)ccc1F)C2=O ZINC000321235678 563447753 /nfs/dbraw/zinc/44/77/53/563447753.db2.gz IAXQDTQQFYGFRX-MEDUHNTESA-N 1 0 384.249 2.528 20 0 GFADRO [NH3+]C[C@H]1CCCC[C@]12NC(=O)N(Cc1cc(Br)ccc1F)C2=O ZINC000321235676 563447880 /nfs/dbraw/zinc/44/78/80/563447880.db2.gz IAXQDTQQFYGFRX-BZNIZROVSA-N 1 0 384.249 2.528 20 0 GFADRO O=C(N[C@H]1CCN(c2ccccc2Br)C1)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000426310384 563448447 /nfs/dbraw/zinc/44/84/47/563448447.db2.gz KIDPNTGPGNUKHF-GUYCJALGSA-N 1 0 378.314 2.771 20 0 GFADRO Cc1cc(NC(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)cc(C)c1Br ZINC000426312990 563448484 /nfs/dbraw/zinc/44/84/84/563448484.db2.gz KYULBJXOGNIUOI-CHWSQXEVSA-N 1 0 382.302 2.603 20 0 GFADRO O=C(N[C@@H]1CCN(c2ccccc2Br)C1)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000426310383 563448513 /nfs/dbraw/zinc/44/85/13/563448513.db2.gz KIDPNTGPGNUKHF-DYVFJYSZSA-N 1 0 378.314 2.771 20 0 GFADRO CC(C)(C)[C@@H](O)C[NH+]1CCC(C(=O)Nc2ccc(Br)cn2)CC1 ZINC000283616960 563449458 /nfs/dbraw/zinc/44/94/58/563449458.db2.gz AIROEELDBXIJKV-AWEZNQCLSA-N 1 0 384.318 2.902 20 0 GFADRO C[C@](CO)([NH2+]C[C@@H](O)COc1ccc(Br)cc1)c1ccccc1 ZINC000322484175 563449767 /nfs/dbraw/zinc/44/97/67/563449767.db2.gz DEHYNYZQBNZCRW-SJLPKXTDSA-N 1 0 380.282 2.686 20 0 GFADRO C[C@@](CO)([NH2+]C[C@@H](O)COc1ccc(Br)cc1)c1ccccc1 ZINC000322484172 563449950 /nfs/dbraw/zinc/44/99/50/563449950.db2.gz DEHYNYZQBNZCRW-AEFFLSMTSA-N 1 0 380.282 2.686 20 0 GFADRO COc1ccc(Br)c(CN[C@H]2CCCc3c2cnn3CCO)c1 ZINC000322929175 563450606 /nfs/dbraw/zinc/45/06/06/563450606.db2.gz MYYKKUWWWYHHJZ-INIZCTEOSA-N 1 0 380.286 2.814 20 0 GFADRO Cc1cc(C)cc(OC[C@@H](O)C[NH2+]CCCn2cc(Br)cn2)c1 ZINC000323938206 563451503 /nfs/dbraw/zinc/45/15/03/563451503.db2.gz SHLPDJOCKYNIPT-INIZCTEOSA-N 1 0 382.302 2.682 20 0 GFADRO Cc1cccc(Br)c1C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000324543398 563452178 /nfs/dbraw/zinc/45/21/78/563452178.db2.gz ZYGJMGLGWMFXGZ-UHFFFAOYSA-N 1 0 381.314 2.942 20 0 GFADRO COc1ccc(C[NH2+]C[C@@H](O)COc2ccc(Br)cc2)c(OC)c1 ZINC000324620346 563453011 /nfs/dbraw/zinc/45/30/11/563453011.db2.gz AIFIQCLDRFHGJR-OAHLLOKOSA-N 1 0 396.281 2.996 20 0 GFADRO COCC[N@H+](Cc1ccc(Br)cc1N1CCOCC1)[C@H]1CCOC1 ZINC000426528926 563453076 /nfs/dbraw/zinc/45/30/76/563453076.db2.gz IFJSAMUNWIPJHQ-KRWDZBQOSA-N 1 0 399.329 2.523 20 0 GFADRO CC(C)N1CC[C@H](NC(=O)C2CC[NH+](Cc3ccc(Cl)s3)CC2)C1=O ZINC000376763836 563453544 /nfs/dbraw/zinc/45/35/44/563453544.db2.gz IFTSXPCQGQSWOW-HNNXBMFYSA-N 1 0 383.945 2.739 20 0 GFADRO O=C1CC[C@@H]([NH2+]Cc2cn(-c3ccc(Cl)c(Cl)c3)nn2)[C@@H](C2CC2)N1 ZINC000376772631 563454048 /nfs/dbraw/zinc/45/40/48/563454048.db2.gz MQGSAMRGKOXIAB-NVXWUHKLSA-N 1 0 380.279 2.721 20 0 GFADRO CN(C)S(=O)(=O)CC[NH2+]Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000326283272 563454369 /nfs/dbraw/zinc/45/43/69/563454369.db2.gz YKIGGYHJMAREKT-UHFFFAOYSA-N 1 0 378.338 2.705 20 0 GFADRO CN(CCOc1ccc(Br)cc1)C(=O)C[N@H+](CC(C)(C)O)C1CC1 ZINC000426796958 563455763 /nfs/dbraw/zinc/45/57/63/563455763.db2.gz CVTANEKWWHUVNG-UHFFFAOYSA-N 1 0 399.329 2.522 20 0 GFADRO Brc1cnn(CC2CC[NH+](Cc3cnc4cnccn34)CC2)c1 ZINC000376865262 563456755 /nfs/dbraw/zinc/45/67/55/563456755.db2.gz VPLRFAYGDYHVOS-UHFFFAOYSA-N 1 0 375.274 2.601 20 0 GFADRO C[NH+](C)Cc1ccc(NC(=O)C(=O)Nc2nc3c(s2)CSCC3)cc1 ZINC000376875567 563456873 /nfs/dbraw/zinc/45/68/73/563456873.db2.gz TXQQOUQPMJKZOH-UHFFFAOYSA-N 1 0 376.507 2.571 20 0 GFADRO [NH3+]C[C@H]1Cc2ccccc2N(S(=O)(=O)c2ccc(Br)cc2)C1 ZINC000328562864 563461073 /nfs/dbraw/zinc/46/10/73/563461073.db2.gz INLBPGKBIIGCOZ-GFCCVEGCSA-N 1 0 381.295 2.775 20 0 GFADRO O=C(NCCCn1cc(Br)cn1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000377053374 563462098 /nfs/dbraw/zinc/46/20/98/563462098.db2.gz XXSAWGQZBODMDV-INIZCTEOSA-N 1 0 398.349 2.696 20 0 GFADRO CS[C@H]1CN(S(=O)(=O)c2cccc(-c3nc(C)cs3)c2)C[C@@H]1[NH+](C)C ZINC000328672127 563462651 /nfs/dbraw/zinc/46/26/51/563462651.db2.gz NWZIEOLNYYHNDG-HOTGVXAUSA-N 1 0 397.591 2.785 20 0 GFADRO O=C(C[C@H]1CCC[NH2+]CC1)N[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000427282580 563464591 /nfs/dbraw/zinc/46/45/91/563464591.db2.gz USMVDCOPWNSMHG-GOEBONIOSA-N 1 0 380.330 2.924 20 0 GFADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)Nc1cc(F)c(Br)cc1F ZINC000377180020 563466099 /nfs/dbraw/zinc/46/60/99/563466099.db2.gz XAHVVGFSEIUOBV-ZJUUUORDSA-N 1 0 390.228 2.712 20 0 GFADRO Cc1nc(NC(=O)C(=O)NC[C@@H]2CC[N@@H+](C)[C@@H]2c2cccs2)sc1C ZINC000377209083 563466995 /nfs/dbraw/zinc/46/69/95/563466995.db2.gz VIDGTDALVREVDW-JSGCOSHPSA-N 1 0 378.523 2.569 20 0 GFADRO COc1cc(Br)c(C[NH2+]C2CCN(C(=O)C3CC3)CC2)c(OC)c1 ZINC000427526711 563468755 /nfs/dbraw/zinc/46/87/55/563468755.db2.gz DTSOZYBGRXECRI-UHFFFAOYSA-N 1 0 397.313 2.957 20 0 GFADRO C[NH+](C)CCOC1CCN(S(=O)(=O)Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000427811101 563476857 /nfs/dbraw/zinc/47/68/57/563476857.db2.gz IHPDLWOMVBTQOR-UHFFFAOYSA-N 1 0 395.352 2.866 20 0 GFADRO COc1ccc(Br)cc1CNC(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000377474457 563476836 /nfs/dbraw/zinc/47/68/36/563476836.db2.gz BLVBJTQJWBLPCC-LSDHHAIUSA-N 1 0 382.302 2.884 20 0 GFADRO NC(=O)[C@H]([NH2+][C@@H]1CCN(c2ccccc2F)C1)c1cccc(Br)c1 ZINC000427826431 563477071 /nfs/dbraw/zinc/47/70/71/563477071.db2.gz LODXRJJPZLHOFH-RHSMWYFYSA-N 1 0 392.272 2.983 20 0 GFADRO C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000377536280 563478203 /nfs/dbraw/zinc/47/82/03/563478203.db2.gz RYQQBUAEFWVTAR-KPZWWZAWSA-N 1 0 384.307 2.714 20 0 GFADRO Ic1cnc(CN2CCC[C@@H]2C[NH+]2CCCC2)s1 ZINC000377544999 563478282 /nfs/dbraw/zinc/47/82/82/563478282.db2.gz WQALIBYUXQZOLW-LLVKDONJSA-N 1 0 377.295 2.808 20 0 GFADRO CC(C)(C)c1nc2ccc(S(=O)(=O)N3CC[C@@H]4[NH2+]CC[C@@H]4C3)cc2s1 ZINC000427961959 563479158 /nfs/dbraw/zinc/47/91/58/563479158.db2.gz SERUZUJEODXMIJ-OCCSQVGLSA-N 1 0 379.551 2.966 20 0 GFADRO CS(=O)(=O)N1CC(C[NH2+][C@H]2CCC[C@@H]2c2ccc(C(F)(F)F)cc2)C1 ZINC000427978603 563479602 /nfs/dbraw/zinc/47/96/02/563479602.db2.gz DIDLZHDYBPEOQX-CVEARBPZSA-N 1 0 376.444 2.823 20 0 GFADRO Cc1ccc(C[NH2+][C@@H]2CC(=O)N(C)[C@H]2c2ccnn2C)c(Br)c1 ZINC000284576758 563480764 /nfs/dbraw/zinc/48/07/64/563480764.db2.gz PIDWDVYYUYMKEH-RHSMWYFYSA-N 1 0 377.286 2.553 20 0 GFADRO Brc1cccc(Cc2noc(CN3CC[C@H]4[NH2+]CC[C@H]4C3)n2)c1 ZINC000428034197 563480995 /nfs/dbraw/zinc/48/09/95/563480995.db2.gz NNTKWKCDJYKMSP-DZGCQCFKSA-N 1 0 377.286 2.607 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)c1n[nH]c2ccc(I)cc21 ZINC000428126703 563483317 /nfs/dbraw/zinc/48/33/17/563483317.db2.gz UNTUEBPNPHKYDC-NOZJJQNGSA-N 1 0 398.248 2.509 20 0 GFADRO Cc1[nH]c(=O)c(Br)cc1-c1nc([C@@H]2CN3CCC[C@]3(C)CO2)no1 ZINC000329654005 563484293 /nfs/dbraw/zinc/48/42/93/563484293.db2.gz FCXULOYCVBAEEK-BLLLJJGKSA-N 1 0 395.257 2.834 20 0 GFADRO COc1ccc(Br)c(CC(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)c1 ZINC000377773181 563486587 /nfs/dbraw/zinc/48/65/87/563486587.db2.gz HTXHXFBHGAADGC-CQSZACIVSA-N 1 0 381.314 2.848 20 0 GFADRO C[NH+]1CCC(N(Cc2ccccc2Br)C(=O)Nc2ccon2)CC1 ZINC000377872746 563489477 /nfs/dbraw/zinc/48/94/77/563489477.db2.gz GDIIAFWWKBWSOC-UHFFFAOYSA-N 1 0 393.285 3.565 20 0 GFADRO CCC(CC)[C@H](CNC(=O)C(=O)Nc1nc(C(F)(F)F)cs1)[NH+](C)C ZINC000284768342 563489793 /nfs/dbraw/zinc/48/97/93/563489793.db2.gz MYAXBDYVGDMQJH-JTQLQIEISA-N 1 0 380.436 2.583 20 0 GFADRO O=C(CSc1ccc(C(F)(F)F)cn1)N1CCN([C@H]2CCSC2)CC1 ZINC000378030673 563493941 /nfs/dbraw/zinc/49/39/41/563493941.db2.gz HUYIORIRUBNXJM-ZDUSSCGKSA-N 1 0 391.484 2.842 20 0 GFADRO CN(C)c1ncc(C[NH2+]C[C@@H](CO)Cc2ccc(Br)cc2)s1 ZINC000428531813 563494448 /nfs/dbraw/zinc/49/44/48/563494448.db2.gz DQLODPJZYZDQGP-ZDUSSCGKSA-N 1 0 384.343 2.912 20 0 GFADRO NC(=O)c1csc(C[NH2+]C[C@@H](CO)Cc2ccc(Br)cc2)c1 ZINC000428544771 563495399 /nfs/dbraw/zinc/49/53/99/563495399.db2.gz URINORQUHISBNR-LBPRGKRZSA-N 1 0 383.311 2.550 20 0 GFADRO O=S(=O)(CCO)c1ccc(C[NH2+]Cc2ccc(C(F)(F)F)s2)cc1 ZINC000428544552 563495589 /nfs/dbraw/zinc/49/55/89/563495589.db2.gz JEBSDXPQLZLUML-UHFFFAOYSA-N 1 0 379.425 2.823 20 0 GFADRO O=S(=O)(Cc1cccc(C(F)(F)F)c1)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000378227432 563499848 /nfs/dbraw/zinc/49/98/48/563499848.db2.gz MUSNELHORLIAFO-ZBFHGGJFSA-N 1 0 376.444 2.999 20 0 GFADRO C[C@H](CNC(=O)CCCS(=O)(=O)c1ccc(Cl)cc1)C[NH+]1CCCC1 ZINC000285036958 563500172 /nfs/dbraw/zinc/50/01/72/563500172.db2.gz JJBWCSKGUWMQLG-OAHLLOKOSA-N 1 0 386.945 2.742 20 0 GFADRO C[N@@H+]1CC[C@H]2[C@H](CCCN2S(=O)(=O)c2csc(-c3ccccc3)n2)C1 ZINC000330329215 563501277 /nfs/dbraw/zinc/50/12/77/563501277.db2.gz WLUAHPUMNPAMDT-CVEARBPZSA-N 1 0 377.535 2.915 20 0 GFADRO C[C@@H]1CN(C(=O)c2cc(Br)ccc2F)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000378313178 563502160 /nfs/dbraw/zinc/50/21/60/563502160.db2.gz JMLRTBBSVGCVBZ-DYVFJYSZSA-N 1 0 398.320 2.686 20 0 GFADRO CS(=O)(=O)[C@@H]1CCC[C@@H]([NH2+]CCOc2cccc(Br)c2)C1 ZINC000285084230 563502431 /nfs/dbraw/zinc/50/24/31/563502431.db2.gz JQSVLYBSXMRNBR-UKRRQHHQSA-N 1 0 376.316 2.773 20 0 GFADRO C[C@H](NC(=O)c1cnc(Sc2nccn2C)c(Cl)c1)[C@@H]1CCC[NH2+]C1 ZINC000428951583 563504886 /nfs/dbraw/zinc/50/48/86/563504886.db2.gz JYQNWVWPKOOBTQ-NWDGAFQWSA-N 1 0 379.917 2.738 20 0 GFADRO C[C@H](NC(=O)[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)[C@H]1CCC[NH2+]C1 ZINC000428966277 563505561 /nfs/dbraw/zinc/50/55/61/563505561.db2.gz JXGVSQXDHQDEGU-OBJOEFQTSA-N 1 0 384.307 2.851 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCN(c2ccccc2Cl)C1)c1ccc(S(N)(=O)=O)cc1 ZINC000378423002 563506078 /nfs/dbraw/zinc/50/60/78/563506078.db2.gz BSDDZTAMPBVKQA-DZGCQCFKSA-N 1 0 379.913 2.917 20 0 GFADRO C[C@H]1C[C@H]1[N@@H+]1CCN([C@H](C(N)=O)c2ccc(Br)cc2F)C[C@@H](C)C1 ZINC000429026900 563508453 /nfs/dbraw/zinc/50/84/53/563508453.db2.gz ALHAKYNMEZXKLS-NQERCMRGSA-N 1 0 398.320 2.777 20 0 GFADRO CC(C)[NH+]1CCC(NC(=O)[C@H](C)NC(=O)c2ccc(Br)cc2)CC1 ZINC000330527549 563509723 /nfs/dbraw/zinc/50/97/23/563509723.db2.gz MKKVVGHHVMBKDH-ZDUSSCGKSA-N 1 0 396.329 2.556 20 0 GFADRO O=C1CNC(=O)N1CCC[NH2+][C@@H](c1cc(Cl)ccc1Cl)[C@@H]1CCOC1 ZINC000378501513 563510250 /nfs/dbraw/zinc/51/02/50/563510250.db2.gz STJJWFSDEHEVRU-BDJLRTHQSA-N 1 0 386.279 2.603 20 0 GFADRO CS(=O)(=O)CC[C@H]([NH3+])C(=O)N[C@H]1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000378531452 563510889 /nfs/dbraw/zinc/51/08/89/563510889.db2.gz URTGEBGIYKOBHS-CQDKDKBSSA-N 1 0 393.336 2.508 20 0 GFADRO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)c1cc(I)ccc1Cl ZINC000429144064 563510934 /nfs/dbraw/zinc/51/09/34/563510934.db2.gz SZDGPSOEGRKDNZ-UFBFGSQYSA-N 1 0 378.641 2.802 20 0 GFADRO CCOc1cc(Br)c(CC(=O)N2CC[C@H]([NH3+])[C@@H](C)C2)cc1OCC ZINC000429156455 563511013 /nfs/dbraw/zinc/51/10/13/563511013.db2.gz FHOOUWWBJWLLPE-WFASDCNBSA-N 1 0 399.329 2.985 20 0 GFADRO Cc1c(C(=O)N2CC[C@H]([NH3+])[C@@H](C)C2)cnn1-c1cccc(Br)c1 ZINC000429178643 563511561 /nfs/dbraw/zinc/51/15/61/563511561.db2.gz UPABJKZRYPKGDG-ZBEGNZNMSA-N 1 0 377.286 2.753 20 0 GFADRO C[C@@H]1CCC[N@H+](C[C@H](O)COc2ccc(Cl)cc2Br)[C@H]1CO ZINC000330596751 563512564 /nfs/dbraw/zinc/51/25/64/563512564.db2.gz YMTOPBNITZPKFD-ZLDLUXBVSA-N 1 0 392.721 2.935 20 0 GFADRO C[NH2+]C[C@@H]1CCN(C(=O)CSCc2ccc(Br)cc2F)C1 ZINC000429427392 563517221 /nfs/dbraw/zinc/51/72/21/563517221.db2.gz HWTBPCNCDWZTTG-NSHDSACASA-N 1 0 375.307 2.889 20 0 GFADRO C[C@@H](C[NH+](C)C)NC(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000330687143 563517475 /nfs/dbraw/zinc/51/74/75/563517475.db2.gz VXDMAXJDPKLPQI-GXTWGEPZSA-N 1 0 386.323 2.912 20 0 GFADRO C[NH+](C)CC1CCN(C(=O)C(C)(C)S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000330740904 563519643 /nfs/dbraw/zinc/51/96/43/563519643.db2.gz RJLVYIFWWVPFOC-UHFFFAOYSA-N 1 0 386.945 2.693 20 0 GFADRO O=C(CC[N@@H+]1CCO[C@]2(CCCOC2)C1)Nc1ccccc1Br ZINC000285463088 563522049 /nfs/dbraw/zinc/52/20/49/563522049.db2.gz ZLVGVBAZUQHHBH-QGZVFWFLSA-N 1 0 383.286 2.659 20 0 GFADRO Cc1ncc(S(=O)(=O)N2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)s1 ZINC000285461489 563522341 /nfs/dbraw/zinc/52/23/41/563522341.db2.gz ZGONMLNAUUTGNL-GOSISDBHSA-N 1 0 377.535 2.738 20 0 GFADRO CS(=O)(=O)NC[C@H]1CCC[N@H+](CCOc2cc(Cl)cc(Cl)c2)C1 ZINC000330894493 563526094 /nfs/dbraw/zinc/52/60/94/563526094.db2.gz ZSXJABHNDFWMPI-GFCCVEGCSA-N 1 0 381.325 2.633 20 0 GFADRO CCOc1cc(C[NH2+]CCC2(O)CCOCC2)cc(Br)c1OC ZINC000285564437 563526788 /nfs/dbraw/zinc/52/67/88/563526788.db2.gz RURZYAUDHKZFED-UHFFFAOYSA-N 1 0 388.302 2.878 20 0 GFADRO O=C1NC(=O)C2(CCC([NH2+]Cc3ccc(Br)c(Cl)c3)CC2)N1 ZINC000285571776 563527323 /nfs/dbraw/zinc/52/73/23/563527323.db2.gz UJIINLUBRQQIBL-UHFFFAOYSA-N 1 0 386.677 2.713 20 0 GFADRO O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CCCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000393029223 563527865 /nfs/dbraw/zinc/52/78/65/563527865.db2.gz JCJJUCKWRPUJQD-CABCVRRESA-N 1 0 378.416 2.880 20 0 GFADRO C[C@H]([NH2+][C@H]1CCC[C@H]1CCO)C(=O)N(C)Cc1ccc(Br)cc1 ZINC000285593649 563528026 /nfs/dbraw/zinc/52/80/26/563528026.db2.gz BOKWPNHQCVROSD-QRTARXTBSA-N 1 0 383.330 2.937 20 0 GFADRO C[C@@H]1C[C@@H](C)N(C(=O)c2csc(I)c2)C[C@@H]1C[NH3+] ZINC000397247870 563531724 /nfs/dbraw/zinc/53/17/24/563531724.db2.gz BLGJPYVFSRBXAK-KKZNHRDASA-N 1 0 378.279 2.798 20 0 GFADRO Cc1sc(Br)cc1S(=O)(=O)N1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000397287796 563531959 /nfs/dbraw/zinc/53/19/59/563531959.db2.gz VHDRQMSPKSYWQU-KKZNHRDASA-N 1 0 381.361 2.813 20 0 GFADRO C[C@H](C(=O)NC[C@@H](CO)Cc1cccc(Br)c1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000430131778 563534769 /nfs/dbraw/zinc/53/47/69/563534769.db2.gz YVFOQQUACMYJSM-DLTWYDFYSA-N 1 0 397.357 2.978 20 0 GFADRO C[NH+](C)[C@H]1CCC[C@@H](NS(=O)(=O)c2ccc(OCC(F)(F)F)cc2)C1 ZINC000331100897 563535001 /nfs/dbraw/zinc/53/50/01/563535001.db2.gz FTZFFGKEQMDTIB-OLZOCXBDSA-N 1 0 380.432 2.779 20 0 GFADRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)CCS(=O)(=O)c1ccc(Cl)cc1 ZINC000285749464 563535272 /nfs/dbraw/zinc/53/52/72/563535272.db2.gz JWCPGVCIGBAPEC-GDBMZVCRSA-N 1 0 384.929 2.589 20 0 GFADRO CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H](CO)Cc1ccc(Br)cc1 ZINC000430138179 563535367 /nfs/dbraw/zinc/53/53/67/563535367.db2.gz HJJNOSNQHAFRBY-DOTOQJQBSA-N 1 0 383.330 2.591 20 0 GFADRO O[C@]1(CC[NH2+]Cc2ccc(Br)c(Br)c2)CCOC1 ZINC000404198567 563536715 /nfs/dbraw/zinc/53/67/15/563536715.db2.gz IZGLGRDZBZHXED-CYBMUJFWSA-N 1 0 379.092 2.843 20 0 GFADRO C[C@H](C(=O)NC[C@@H](CO)Cc1ccccc1Br)[NH+]1CCCCCC1 ZINC000430166147 563537181 /nfs/dbraw/zinc/53/71/81/563537181.db2.gz UFOXYNZINXEDGH-CVEARBPZSA-N 1 0 397.357 2.981 20 0 GFADRO COc1ccc(CN2C[C@H](N3CCOCC3)C[C@@H]2C)c(Br)c1OC ZINC000285794317 563537629 /nfs/dbraw/zinc/53/76/29/563537629.db2.gz FPFVXJQFNODLCF-DZGCQCFKSA-N 1 0 399.329 2.761 20 0 GFADRO CS(=O)(=O)N[C@H]1CCCC[C@@H]1[NH2+]Cc1cc(F)cc(Br)c1 ZINC000331151477 563537805 /nfs/dbraw/zinc/53/78/05/563537805.db2.gz BXABHIYLJACGIZ-KBPBESRZSA-N 1 0 379.295 2.538 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)N1CC[N@@H+](C[C@H](C)O)C[C@H]1C ZINC000331181605 563539157 /nfs/dbraw/zinc/53/91/57/563539157.db2.gz MZOYYKYPSZUWSJ-KGLIPLIRSA-N 1 0 384.318 2.985 20 0 GFADRO CS(=O)(=O)N[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(Br)cc1F ZINC000331207403 563540730 /nfs/dbraw/zinc/54/07/30/563540730.db2.gz YURBGADOAJTMSI-KBPBESRZSA-N 1 0 379.295 2.538 20 0 GFADRO COCC[C@@]1(C(=O)N[C@@H](C)Cc2ccc(F)c(Br)c2)CC[NH2+]C1 ZINC000430427842 563543071 /nfs/dbraw/zinc/54/30/71/563543071.db2.gz PBNIHZOWUQQAEV-SJCJKPOMSA-N 1 0 387.293 2.652 20 0 GFADRO C[C@H](O)[C@H]1C[C@H](C)CC[N@@H+]1C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000331284253 563543408 /nfs/dbraw/zinc/54/34/08/563543408.db2.gz KTHNVNYYRZAYGS-PZNPJNSTSA-N 1 0 390.293 2.809 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CCCCN1CC(=O)Nc1c(F)cc(F)cc1Br ZINC000430647372 563546786 /nfs/dbraw/zinc/54/67/86/563546786.db2.gz XTJCBIOZJMQZBE-RNCFNFMXSA-N 1 0 376.245 2.868 20 0 GFADRO C[N@@H+]1CCC[C@H]1CNC(=O)c1cnc2c(Cl)cc(Br)cc2c1O ZINC000430667240 563547477 /nfs/dbraw/zinc/54/74/77/563547477.db2.gz MWGKINMVBUXSMQ-JTQLQIEISA-N 1 0 398.688 2.768 20 0 GFADRO C[C@@H]([NH2+]C[C@@H](C)C(F)(F)F)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430740736 563548366 /nfs/dbraw/zinc/54/83/66/563548366.db2.gz CEEOHQZNRXRSRL-HTQZYQBOSA-N 1 0 389.237 2.946 20 0 GFADRO COc1ccc(Br)c(C(=O)NCCC[NH2+][C@@H](C)c2ncc[nH]2)c1 ZINC000286103139 563549074 /nfs/dbraw/zinc/54/90/74/563549074.db2.gz NJENIOXONDDIIC-NSHDSACASA-N 1 0 381.274 2.652 20 0 GFADRO CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)Cn1cc(Br)ccc1=O ZINC000430825602 563549450 /nfs/dbraw/zinc/54/94/50/563549450.db2.gz YIJYJSFZPZPVLI-GOEBONIOSA-N 1 0 398.345 2.628 20 0 GFADRO CC[NH+](CC)CCOc1ccccc1CNS(=O)(=O)c1cnc(C)s1 ZINC000431088393 563552695 /nfs/dbraw/zinc/55/26/95/563552695.db2.gz WKGJMQLBHDWRKH-UHFFFAOYSA-N 1 0 383.539 2.651 20 0 GFADRO C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)Cc1csc(NC(=O)c2cccs2)n1 ZINC000286315685 563555914 /nfs/dbraw/zinc/55/59/14/563555914.db2.gz YEWVQVKETIGBPC-UEKVPHQBSA-N 1 0 378.523 2.502 20 0 GFADRO CC[NH+](CC)CCO[C@H]1CCN(S(=O)(=O)Cc2cc(Cl)ccc2F)C1 ZINC000431289801 563558322 /nfs/dbraw/zinc/55/83/22/563558322.db2.gz ZVVNIEGTWOVPRH-INIZCTEOSA-N 1 0 392.924 2.742 20 0 GFADRO COCc1cccc2sc(NC(=O)N3C[C@@H]([NH+](C)C)[C@@H](SC)C3)nc21 ZINC000331813329 563562507 /nfs/dbraw/zinc/56/25/07/563562507.db2.gz XXOAHQMZCBKRCY-OCCSQVGLSA-N 1 0 380.539 2.952 20 0 GFADRO CC(=O)Nc1ccc(S(=O)(=O)N2CC[C@@H]([NH+]3CCCC3)[C@H]2C)cc1Cl ZINC000286538896 563564749 /nfs/dbraw/zinc/56/47/49/563564749.db2.gz BYRIOIHPHCIXII-SJKOYZFVSA-N 1 0 385.917 2.546 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)c(Br)c1 ZINC000431717636 563567259 /nfs/dbraw/zinc/56/72/59/563567259.db2.gz FYHUHPJYIHJEJN-QWHCGFSZSA-N 1 0 394.313 2.746 20 0 GFADRO C[C@H](NC(=O)NCc1ccc(C[NH+](C)C)cc1)c1ncc(Br)cn1 ZINC000431784992 563568772 /nfs/dbraw/zinc/56/87/72/563568772.db2.gz NPVWDEAFTYMDAK-LBPRGKRZSA-N 1 0 392.301 2.861 20 0 GFADRO CC(C)(C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccccc1Br ZINC000409800203 563571349 /nfs/dbraw/zinc/57/13/49/563571349.db2.gz JKDVLXHCXTYGKJ-HNNXBMFYSA-N 1 0 395.341 2.907 20 0 GFADRO C[NH+](C)C[C@@H]1CCCN1C(=O)c1cc(=O)[nH]c2c(Br)cccc12 ZINC000332017751 563571729 /nfs/dbraw/zinc/57/17/29/563571729.db2.gz RWSNMCIWFIMGOV-NSHDSACASA-N 1 0 378.270 2.869 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c(Br)c1 ZINC000431988466 563573078 /nfs/dbraw/zinc/57/30/78/563573078.db2.gz XOLXTIAOXPWXBO-KGLIPLIRSA-N 1 0 394.313 2.747 20 0 GFADRO CC[NH+]1CCN(CCC(=O)N[C@@H](C)c2ccc(Br)cc2F)CC1 ZINC000286841023 563576814 /nfs/dbraw/zinc/57/68/14/563576814.db2.gz YGDKZRJDJQMPEJ-ZDUSSCGKSA-N 1 0 386.309 2.793 20 0 GFADRO Cc1ccc(NC(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)cc1Br ZINC000332156242 563579770 /nfs/dbraw/zinc/57/97/70/563579770.db2.gz NVORJWJYAURPDY-OAHLLOKOSA-N 1 0 394.313 2.783 20 0 GFADRO C[C@@H]1C[N@H+](CCCNS(=O)(=O)c2cc(Cl)ccc2Cl)CCCO1 ZINC000432340408 563581052 /nfs/dbraw/zinc/58/10/52/563581052.db2.gz MTDISSLSZLWVTD-GFCCVEGCSA-N 1 0 381.325 2.773 20 0 GFADRO COCC[C@H](Cc1cccc(Br)c1)C(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000432515113 563586117 /nfs/dbraw/zinc/58/61/17/563586117.db2.gz OUNLXISKKMXFBY-LXZKKBNFSA-N 1 0 383.330 2.759 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000332267665 563588908 /nfs/dbraw/zinc/58/89/08/563588908.db2.gz HCFMRGKXAWORCT-HNNXBMFYSA-N 1 0 394.313 2.783 20 0 GFADRO CN(C)S(=O)(=O)N1CCCC[C@H]1C[NH2+][C@@H]1CCSc2c(F)cccc21 ZINC000332295837 563590769 /nfs/dbraw/zinc/59/07/69/563590769.db2.gz DEXRERJUWFSHPZ-XJKSGUPXSA-N 1 0 387.546 2.613 20 0 GFADRO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000410497131 563591694 /nfs/dbraw/zinc/59/16/94/563591694.db2.gz IJVXTNNRNNPICR-CQSZACIVSA-N 1 0 384.307 2.647 20 0 GFADRO C[C@H]([NH2+]CC1(c2ccc(Br)cc2)CCOCC1)c1nncn1C ZINC000287201187 563591960 /nfs/dbraw/zinc/59/19/60/563591960.db2.gz LSHVDSQFRCLHQE-ZDUSSCGKSA-N 1 0 379.302 2.977 20 0 GFADRO CN(Cc1nn(C)cc1Br)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000432774812 563592935 /nfs/dbraw/zinc/59/29/35/563592935.db2.gz FFBVWNJMADFVJY-UHFFFAOYSA-N 1 0 378.318 2.926 20 0 GFADRO COC(=O)c1cccc(Br)c1CN1CC[N@H+](CC(C)(C)O)C[C@H]1C ZINC000432795936 563593971 /nfs/dbraw/zinc/59/39/71/563593971.db2.gz ZMNLFBTVEFGXKG-CYBMUJFWSA-N 1 0 399.329 2.513 20 0 GFADRO COC(=O)c1occc1C[NH2+]C[C@@H](CO)Cc1ccc(Br)cc1 ZINC000433053817 563601832 /nfs/dbraw/zinc/60/18/32/563601832.db2.gz SBODKNCXDNAKMD-ZDUSSCGKSA-N 1 0 382.254 2.770 20 0 GFADRO C[N@H+](CCOc1ccc(S(N)(=O)=O)cc1)[C@H]1CCc2ccc(Cl)cc21 ZINC000433054384 563601890 /nfs/dbraw/zinc/60/18/90/563601890.db2.gz SKOVGWQUQOXMNC-SFHVURJKSA-N 1 0 380.897 2.986 20 0 GFADRO CC(C)[C@H](C[NH3+])C(=O)N[C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000433128766 563604052 /nfs/dbraw/zinc/60/40/52/563604052.db2.gz BOPBSSPETLDGTM-NEPJUHHUSA-N 1 0 378.826 2.680 20 0 GFADRO Cc1cc(NC(=O)C(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2C)c(F)cc1Br ZINC000332587991 563605669 /nfs/dbraw/zinc/60/56/69/563605669.db2.gz KWSLZPREYVYEQZ-NEPJUHHUSA-N 1 0 398.276 2.530 20 0 GFADRO COCC[N@H+](CCCOc1ccc(S(C)(=O)=O)cc1)[C@H]1CCCSC1 ZINC000433197127 563605816 /nfs/dbraw/zinc/60/58/16/563605816.db2.gz PVJRWAHBRZZBOZ-INIZCTEOSA-N 1 0 387.567 2.703 20 0 GFADRO CCOCCOc1ccc(Br)cc1C[NH2+]C[C@H]1CCCC(=O)N1 ZINC000433204060 563606895 /nfs/dbraw/zinc/60/68/95/563606895.db2.gz AHQMUVXUGUBEFX-OAHLLOKOSA-N 1 0 385.302 2.623 20 0 GFADRO Cc1cc(NC(=O)C(=O)N2C[C@H]3CCC[N@H+]3C[C@H]2C)cc(F)c1Br ZINC000332646353 563609635 /nfs/dbraw/zinc/60/96/35/563609635.db2.gz ZUJCCUFKQACHTJ-DGCLKSJQSA-N 1 0 398.276 2.530 20 0 GFADRO C[C@H]1C[C@H](NC(=O)c2cnn(-c3cccc(Br)c3)c2)CC[N@@H+]1C ZINC000332654087 563610364 /nfs/dbraw/zinc/61/03/64/563610364.db2.gz JBAPGSBNYRBQBY-SWLSCSKDSA-N 1 0 377.286 2.847 20 0 GFADRO C[C@H]1C[C@@H](C(=O)N[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)CC[N@@H+]1C ZINC000332671257 563611086 /nfs/dbraw/zinc/61/10/86/563611086.db2.gz PKUBYMQKCFGHGF-MQIPJXDCSA-N 1 0 384.307 2.945 20 0 GFADRO CCN(Cc1cccc(Br)c1)C(=O)c1ncn([C@H]2CCC[NH2+]C2)n1 ZINC000433419006 563612214 /nfs/dbraw/zinc/61/22/14/563612214.db2.gz WWQMKRFLMQBJBL-HNNXBMFYSA-N 1 0 392.301 2.627 20 0 GFADRO C[NH+](C)C[C@@H]1CCN(C(=O)N[C@H](c2cncc(Br)c2)C2CC2)C1 ZINC000287681149 563613156 /nfs/dbraw/zinc/61/31/56/563613156.db2.gz FASJOKRPUZPBKO-LRDDRELGSA-N 1 0 381.318 2.888 20 0 GFADRO C[N@H+]1CC=C(CNC(=O)N[C@@H](c2cncc(Br)c2)C2CC2)CC1 ZINC000287774856 563617633 /nfs/dbraw/zinc/61/76/33/563617633.db2.gz JVSYMJZBKJCAGW-MRXNPFEDSA-N 1 0 379.302 2.856 20 0 GFADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)Nc3ccc4nccnc4c3Br)[C@@H]2C1 ZINC000287796641 563618043 /nfs/dbraw/zinc/61/80/43/563618043.db2.gz TUZCFTBEXMOHLX-BXUZGUMPSA-N 1 0 390.285 2.950 20 0 GFADRO O=C(CC[N@H+]1CCSC[C@H]1CO)N[C@H](c1cccs1)c1ccccc1 ZINC000411421322 563618645 /nfs/dbraw/zinc/61/86/45/563618645.db2.gz INLJCLNDJFAROT-APWZRJJASA-N 1 0 376.547 2.754 20 0 GFADRO CSc1ccc(OC[C@H](O)C[N@@H+]2CCCC[C@@H]2[C@@H](O)C(F)(F)F)cc1 ZINC000411412493 563618859 /nfs/dbraw/zinc/61/88/59/563618859.db2.gz FBXAZBSZYBDXAY-DAXOMENPSA-N 1 0 379.444 2.926 20 0 GFADRO CS[C@@H]1C[N@H+](CCC(=O)Nc2ccccc2Br)C[C@@H]1N(C)C ZINC000411432372 563619081 /nfs/dbraw/zinc/61/90/81/563619081.db2.gz YUYFAIBULUECHK-LSDHHAIUSA-N 1 0 386.359 2.755 20 0 GFADRO C[NH+](C)CCOC1CCN(C(=O)Cc2cc(F)ccc2Br)CC1 ZINC000433747595 563619080 /nfs/dbraw/zinc/61/90/80/563619080.db2.gz FXHFYNCHYOFLQO-UHFFFAOYSA-N 1 0 387.293 2.700 20 0 GFADRO CC[NH+](CC)CCN(CCOC)C(=O)Cc1cc(F)ccc1Br ZINC000433775739 563619741 /nfs/dbraw/zinc/61/97/41/563619741.db2.gz TUWUFXRAOHZATK-UHFFFAOYSA-N 1 0 389.309 2.948 20 0 GFADRO COc1ccccc1CCNC(=O)C[NH2+]Cc1cc(Br)cs1 ZINC000433851017 563621125 /nfs/dbraw/zinc/62/11/25/563621125.db2.gz GJGYRPWSTQSBJB-UHFFFAOYSA-N 1 0 383.311 2.968 20 0 GFADRO C[NH+](C)C1(CNC(=O)Cc2ccccc2I)CCCC1 ZINC000433840587 563621340 /nfs/dbraw/zinc/62/13/40/563621340.db2.gz FYAROXQAKBDQMO-UHFFFAOYSA-N 1 0 386.277 2.824 20 0 GFADRO NC(=O)C[C@@H]([NH2+]CCC(=O)Nc1cc(Cl)ccc1Cl)C1CCOCC1 ZINC000411517292 563621857 /nfs/dbraw/zinc/62/18/57/563621857.db2.gz LZKKULUXZGDJKM-CQSZACIVSA-N 1 0 388.295 2.582 20 0 GFADRO O=C(Cc1ccccc1I)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000433936967 563623725 /nfs/dbraw/zinc/62/37/25/563623725.db2.gz OZQIPYUQSGRAMW-HNNXBMFYSA-N 1 0 398.288 2.921 20 0 GFADRO [NH3+][C@@H]1CCCO[C@H]1C1CCN(C(=O)Cc2ccc(F)c(Br)c2)CC1 ZINC000333268731 563626084 /nfs/dbraw/zinc/62/60/84/563626084.db2.gz KBQNQUKUYZXWOT-AEFFLSMTSA-N 1 0 399.304 2.876 20 0 GFADRO CSc1ccc(OC[C@H](O)CN2CCSC[C@@H]2c2cnn(C)c2)cc1 ZINC000411624639 563626334 /nfs/dbraw/zinc/62/63/34/563626334.db2.gz JTBOJKDHBHQZHD-CRAIPNDOSA-N 1 0 379.551 2.672 20 0 GFADRO Cc1cc(N2CCC[C@H]([NH2+][C@@H]3CCC(=O)N[C@H]3C)C2=O)ccc1Br ZINC000333269861 563626616 /nfs/dbraw/zinc/62/66/16/563626616.db2.gz HATVNUIEHPUDJD-MAZHCROVSA-N 1 0 394.313 2.510 20 0 GFADRO COCC[N@H+](CCC(=O)Nc1cccc(Br)c1)[C@H]1CCO[C@@H]1C ZINC000411655653 563628489 /nfs/dbraw/zinc/62/84/89/563628489.db2.gz LVNHQZMRMHNAPM-CJNGLKHVSA-N 1 0 385.302 2.904 20 0 GFADRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)Nc3ccc4nccnc4c3Br)C[C@@H]12 ZINC000333377609 563630190 /nfs/dbraw/zinc/63/01/90/563630190.db2.gz VVBAJSBMCAXHAK-HBNTYKKESA-N 1 0 376.258 2.593 20 0 GFADRO C[C@@H]([NH2+][C@H](c1cncc(Br)c1)C1CC1)C(=O)NCC(F)(F)F ZINC000411704652 563630365 /nfs/dbraw/zinc/63/03/65/563630365.db2.gz UKFNHWYRIMYLON-PELKAZGASA-N 1 0 380.208 2.952 20 0 GFADRO Cc1ccc(NC(=O)C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)cc1Br ZINC000434556794 563632553 /nfs/dbraw/zinc/63/25/53/563632553.db2.gz ARHJZYZGBIFMPQ-OAHLLOKOSA-N 1 0 394.313 2.829 20 0 GFADRO CC1(C)Cc2ccc(Br)cc2[C@H]1[NH2+]CC(=O)NC[C@@H]1CCCO1 ZINC000411760790 563633702 /nfs/dbraw/zinc/63/37/02/563633702.db2.gz SWNIYNJDKJAQEZ-WMLDXEAASA-N 1 0 381.314 2.957 20 0 GFADRO O=C(N[C@H]1CCC[NH2+]C1)N1CCC[C@H](Nc2cccc(Br)c2)C1 ZINC000333493984 563633841 /nfs/dbraw/zinc/63/38/41/563633841.db2.gz DOYZKBWPCYJDSN-HOTGVXAUSA-N 1 0 381.318 2.787 20 0 GFADRO C[C@@H]([NH3+])CCC(=O)N1CCC(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000434687081 563634428 /nfs/dbraw/zinc/63/44/28/563634428.db2.gz WDWSVIGTAKHZSH-GFCCVEGCSA-N 1 0 382.302 2.754 20 0 GFADRO O=C(N[C@H](c1cncc(Br)c1)C1CC1)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000333528458 563635015 /nfs/dbraw/zinc/63/50/15/563635015.db2.gz HORVVBQNOZMOPG-XPKDYRNWSA-N 1 0 379.302 2.546 20 0 GFADRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)[C@@H](c1ccc(Cl)cc1Cl)N1CCOCC1 ZINC000434706813 563635479 /nfs/dbraw/zinc/63/54/79/563635479.db2.gz LTIVXYKCBPFDLF-AFAVFJNCSA-N 1 0 386.323 2.623 20 0 GFADRO C[C@@H](C[NH+](C)C)NC(=O)C(=O)Nc1cccc(Cl)c1SCC(F)F ZINC000288254874 563635714 /nfs/dbraw/zinc/63/57/14/563635714.db2.gz SZYLLLNCOVBDQF-VIFPVBQESA-N 1 0 379.860 2.702 20 0 GFADRO O=C(Nc1cc(Cl)cc(Cl)c1)[C@@H]1CCCN1C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000333651101 563637874 /nfs/dbraw/zinc/63/78/74/563637874.db2.gz JUNBSDFPOGCPJF-HIFRSBDPSA-N 1 0 385.295 2.858 20 0 GFADRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)N[C@@H]3CCc4c3ccc(F)c4Br)C[C@H]12 ZINC000333646783 563638080 /nfs/dbraw/zinc/63/80/80/563638080.db2.gz VEGKFBZOHQDJTQ-OCCNTAHWSA-N 1 0 382.277 2.954 20 0 GFADRO CC[N@@H+]1CCCN(C(=O)c2cc(I)c(F)cc2F)CC1 ZINC000435009681 563641436 /nfs/dbraw/zinc/64/14/36/563641436.db2.gz SVTZCMILXKZBSB-UHFFFAOYSA-N 1 0 394.203 2.737 20 0 GFADRO [NH3+][C@H]1CCCO[C@@H]1C1CCN(C(=O)c2cc(F)cc(Br)c2)CC1 ZINC000333766426 563641720 /nfs/dbraw/zinc/64/17/20/563641720.db2.gz BINJNPXBHVPGDU-JKSUJKDBSA-N 1 0 385.277 2.947 20 0 GFADRO [NH3+][C@H]1CCCO[C@@H]1C1CCN(C(=O)c2cc(F)ccc2Br)CC1 ZINC000333771308 563641936 /nfs/dbraw/zinc/64/19/36/563641936.db2.gz CBBGBZSBRSDHIB-JKSUJKDBSA-N 1 0 385.277 2.947 20 0 GFADRO O=C(c1cc(-c2ccc(Br)cc2)n[nH]1)N1CCC2(CC[NH2+]2)CC1 ZINC000333810947 563642640 /nfs/dbraw/zinc/64/26/40/563642640.db2.gz JHLQAMCKYXIUIT-UHFFFAOYSA-N 1 0 375.270 2.807 20 0 GFADRO O=C(NC[C@H]1C[NH2+]CCCO1)N1CCC(c2ccccc2Br)CC1 ZINC000333802169 563642661 /nfs/dbraw/zinc/64/26/61/563642661.db2.gz HYLAMLPZCTYZQH-OAHLLOKOSA-N 1 0 396.329 2.717 20 0 GFADRO [NH3+][C@H]1CCCO[C@H]1C1CCN(C(=O)c2ccc(Br)cc2F)CC1 ZINC000333820159 563643078 /nfs/dbraw/zinc/64/30/78/563643078.db2.gz KTHZEBDVEUDSTK-HOTGVXAUSA-N 1 0 385.277 2.947 20 0 GFADRO [NH3+][C@@H]1CCCO[C@H]1C1CCN(C(=O)c2ccc(Br)cc2F)CC1 ZINC000333820157 563643215 /nfs/dbraw/zinc/64/32/15/563643215.db2.gz KTHZEBDVEUDSTK-CVEARBPZSA-N 1 0 385.277 2.947 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)N[C@@H]3COc4cc(F)c(Br)cc43)C[C@H]21 ZINC000333845672 563643246 /nfs/dbraw/zinc/64/32/46/563643246.db2.gz WDVPXINNKGWYCF-NZQZLILVSA-N 1 0 398.276 2.791 20 0 GFADRO O=C(N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)N1CCOc2ccc(Br)cc2C1 ZINC000333869855 563643999 /nfs/dbraw/zinc/64/39/99/563643999.db2.gz BNNROTHCCVGPLO-DVOMOZLQSA-N 1 0 394.313 2.741 20 0 GFADRO O=C(c1cc(F)c(F)cc1I)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000435242500 563647013 /nfs/dbraw/zinc/64/70/13/563647013.db2.gz LBYVKYZAQVPAFW-SECBINFHSA-N 1 0 392.187 2.536 20 0 GFADRO CC(C)[N@@H+]1CCC[C@@H](NS(=O)(=O)c2ccc(Br)c(F)c2)C1 ZINC000435433291 563650424 /nfs/dbraw/zinc/65/04/24/563650424.db2.gz NIGZIRLNKRYTNK-LLVKDONJSA-N 1 0 379.295 2.739 20 0 GFADRO Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH2+][C@@H]1CS(=O)(=O)C[C@@H]1C ZINC000288669225 563652780 /nfs/dbraw/zinc/65/27/80/563652780.db2.gz WHISVZOWTBSBTC-KPZWWZAWSA-N 1 0 381.929 2.724 20 0 GFADRO Cn1cc(NC(=O)N2CCC([NH+]3CCCCC3)CC2)cc(Br)c1=O ZINC000435590462 563654478 /nfs/dbraw/zinc/65/44/78/563654478.db2.gz WKWGIGGQGXCVKD-UHFFFAOYSA-N 1 0 397.317 2.630 20 0 GFADRO C[C@@]1(CNC(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)OCCc2sccc21 ZINC000412369799 563655948 /nfs/dbraw/zinc/65/59/48/563655948.db2.gz XLUSTXHRSCWVRJ-BEFAXECRSA-N 1 0 380.579 2.870 20 0 GFADRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NCCSc1ccc(Cl)cc1 ZINC000435858430 563659496 /nfs/dbraw/zinc/65/94/96/563659496.db2.gz OZBXSARZFPZBNL-CQSZACIVSA-N 1 0 385.961 2.919 20 0 GFADRO CCS(=O)(=O)c1cc(Cl)cc(CNC(=O)C2CC[NH+](C3CC3)CC2)c1 ZINC000412492499 563660109 /nfs/dbraw/zinc/66/01/09/563660109.db2.gz UDQFGCMBNUDDAN-UHFFFAOYSA-N 1 0 384.929 2.624 20 0 GFADRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)[C@H]1CC(=O)Nc2ccc(Br)cc21 ZINC000435893764 563660368 /nfs/dbraw/zinc/66/03/68/563660368.db2.gz ORLIDEBQZQQNJH-BPUTZDHNSA-N 1 0 392.297 2.618 20 0 GFADRO C[NH+](C)C[C@@H]1CN(Cc2ccc(Br)c(Br)c2)CCO1 ZINC000435874555 563660377 /nfs/dbraw/zinc/66/03/77/563660377.db2.gz LJKHFFVWQPBTEJ-GFCCVEGCSA-N 1 0 392.135 2.974 20 0 GFADRO CN1C[C@@H](C[NH2+][C@@H](C(N)=O)c2cccc(Br)c2)Cc2ccccc21 ZINC000435990323 563662131 /nfs/dbraw/zinc/66/21/31/563662131.db2.gz AUISVVVBDYAHLG-FZKQIMNGSA-N 1 0 388.309 2.874 20 0 GFADRO Cc1ncsc1CN(C[C@H]1CC[NH2+]C1)[C@H](C)C(=O)NCc1cccs1 ZINC000436050957 563663538 /nfs/dbraw/zinc/66/35/38/563663538.db2.gz JQQGKHDFHXVZCP-CABCVRRESA-N 1 0 378.567 2.629 20 0 GFADRO CC[N@@H+]1CC[C@H](NC(=O)c2cc(I)ccc2Cl)C1 ZINC000412847519 563671315 /nfs/dbraw/zinc/67/13/15/563671315.db2.gz RSORDJQUYFPMNJ-JTQLQIEISA-N 1 0 378.641 2.769 20 0 GFADRO C[C@]1(C[C@H]2CCC[N@@H+]2Cc2ccc(Br)cc2F)NC(=O)NC1=O ZINC000289699020 563683284 /nfs/dbraw/zinc/68/32/84/563683284.db2.gz ONJJWODHZFITFN-MLGOLLRUSA-N 1 0 384.249 2.541 20 0 GFADRO O=C(N1CC[C@H]2C[NH2+]C[C@H]2C1)C1(c2ccc(Br)cc2)CCOCC1 ZINC000289696069 563683552 /nfs/dbraw/zinc/68/35/52/563683552.db2.gz KCZWWQZGLRMGAI-GJZGRUSLSA-N 1 0 393.325 2.565 20 0 GFADRO Cc1ccc(S(=O)(=O)NCC[NH2+][C@H](C)c2ccc(Br)nc2)cc1 ZINC000289693907 563683558 /nfs/dbraw/zinc/68/35/58/563683558.db2.gz KCWFEWXZWGGBDD-CYBMUJFWSA-N 1 0 398.326 2.782 20 0 GFADRO O=C(NCC(F)(F)F)[C@H]1CC[N@H+](Cc2cc3c(cc2Cl)OCCO3)C1 ZINC000289775835 563686705 /nfs/dbraw/zinc/68/67/05/563686705.db2.gz ITZVPLYWVLDJSY-JTQLQIEISA-N 1 0 378.778 2.612 20 0 GFADRO COc1cc(C[NH2+]CCn2cc(Br)cn2)ccc1OC(=O)C1CC1 ZINC000289901463 563690965 /nfs/dbraw/zinc/69/09/65/563690965.db2.gz WUKDMDOKCFZVFN-UHFFFAOYSA-N 1 0 394.269 2.759 20 0 GFADRO Cc1nn(-c2ccc(F)cc2)c(Cl)c1C[NH2+]C[C@@H]1CCCS(=O)(=O)C1 ZINC000289937010 563691551 /nfs/dbraw/zinc/69/15/51/563691551.db2.gz AXVVDNLCELDPEI-ZDUSSCGKSA-N 1 0 385.892 2.888 20 0 GFADRO C[C@]1(C2CC[NH+](CCCc3ccccc3Br)CC2)NC(=O)NC1=O ZINC000360322747 563692009 /nfs/dbraw/zinc/69/20/09/563692009.db2.gz KVTNTSDCXHCRQM-GOSISDBHSA-N 1 0 394.313 2.692 20 0 GFADRO COc1ccc(CCC(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc1Br ZINC000360467858 563692853 /nfs/dbraw/zinc/69/28/53/563692853.db2.gz SIXTYDOIXGGJME-DZKIICNBSA-N 1 0 381.314 2.976 20 0 GFADRO C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1NC(=O)Cc1ccccc1Br ZINC000360537320 563693734 /nfs/dbraw/zinc/69/37/34/563693734.db2.gz QXVIJYMSUNEWEL-UWWQBHOKSA-N 1 0 395.341 2.997 20 0 GFADRO COC(=O)[C@@H]1CN(c2ccc3cc(Br)ccc3n2)CC[N@H+](C)C1 ZINC000413504075 563695344 /nfs/dbraw/zinc/69/53/44/563695344.db2.gz UCTCWJWQUPJFPX-ZDUSSCGKSA-N 1 0 378.270 2.538 20 0 GFADRO COC(=O)[C@@H]1CN(c2ccnc3cc(F)c(Br)cc32)CC[N@H+](C)C1 ZINC000413502041 563695562 /nfs/dbraw/zinc/69/55/62/563695562.db2.gz PTIZMIVAOAZDFE-NSHDSACASA-N 1 0 396.260 2.677 20 0 GFADRO O=C(NC[C@@H]1CCC[N@H+](Cc2cccnc2)C1)c1ccncc1Br ZINC000361817886 563701238 /nfs/dbraw/zinc/70/12/38/563701238.db2.gz WRZJTFDBEVGPMG-HNNXBMFYSA-N 1 0 389.297 2.881 20 0 GFADRO [NH3+][C@@H]1CC[C@@H](C(=O)N2CCC[C@@H]2C(=O)Nc2ccc(Br)cc2)C1 ZINC000361968717 563702064 /nfs/dbraw/zinc/70/20/64/563702064.db2.gz PAXCZOHJPCZGOO-UXIGCNINSA-N 1 0 380.286 2.506 20 0 GFADRO Cc1ccc(CC(=O)N2CCC([N@H+](C)CCCO)CC2)cc1Br ZINC000438152124 563702075 /nfs/dbraw/zinc/70/20/75/563702075.db2.gz MHDWYAYXQSFGCH-UHFFFAOYSA-N 1 0 383.330 2.605 20 0 GFADRO C[N@@H+]1CC[C@H](NC(=O)c2c[nH]c(=O)c(Br)c2)[C@@H]1c1ccc(F)cc1 ZINC000362144142 563703440 /nfs/dbraw/zinc/70/34/40/563703440.db2.gz ZTALRGTUGKSXCF-GJZGRUSLSA-N 1 0 394.244 2.864 20 0 GFADRO C[N@@H+]1CC[C@H]2CCN(C(=O)c3ccn(-c4cccc(Br)c4)n3)C[C@@H]21 ZINC000362290423 563705189 /nfs/dbraw/zinc/70/51/89/563705189.db2.gz ROOCBBCHHZWIFI-GUYCJALGSA-N 1 0 389.297 2.801 20 0 GFADRO C[N@@H+]1CC[C@H]2CCN(C(=O)c3ccn(-c4cccc(Br)c4)n3)C[C@H]21 ZINC000362290424 563705372 /nfs/dbraw/zinc/70/53/72/563705372.db2.gz ROOCBBCHHZWIFI-SUMWQHHRSA-N 1 0 389.297 2.801 20 0 GFADRO C[NH+](C)C1(CNC(=O)N2CCO[C@@H](c3ccc(Cl)s3)C2)CCOCC1 ZINC000362898897 563710469 /nfs/dbraw/zinc/71/04/69/563710469.db2.gz POBIFRCFQNZFBZ-CYBMUJFWSA-N 1 0 387.933 2.595 20 0 GFADRO O=C(/C=C/c1ccc(I)o1)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000363008102 563712039 /nfs/dbraw/zinc/71/20/39/563712039.db2.gz TZYRIIWQQAPMFL-SJCWFQRBSA-N 1 0 386.233 2.640 20 0 GFADRO NC(=O)CC1CCN(C(=O)C2CC[NH+](Cc3ccc(Cl)s3)CC2)CC1 ZINC000363061497 563713374 /nfs/dbraw/zinc/71/33/74/563713374.db2.gz QFPMZYSDXSAVOY-UHFFFAOYSA-N 1 0 383.945 2.728 20 0 GFADRO Cc1c(S(=O)(=O)N(CC[NH+](C)C)C(C)C)cnn1-c1ccc(Cl)cc1 ZINC000438946304 563714050 /nfs/dbraw/zinc/71/40/50/563714050.db2.gz JLUDFVSCESWMRP-UHFFFAOYSA-N 1 0 384.933 2.795 20 0 GFADRO C[C@@H]1C[C@H](N(C)Cc2cn(-c3ccccc3Br)nn2)CC[N@@H+]1C ZINC000290555643 563714357 /nfs/dbraw/zinc/71/43/57/563714357.db2.gz XBYLPTXNWATYRX-UKRRQHHQSA-N 1 0 378.318 2.944 20 0 GFADRO O=C(c1coc(-c2ccc(Br)cc2F)n1)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000290687878 563718327 /nfs/dbraw/zinc/71/83/27/563718327.db2.gz UMONPODAKPGZNM-MNOVXSKESA-N 1 0 394.244 2.925 20 0 GFADRO C[NH2+][C@@H]1CCN(C(=O)Nc2cc(I)ccc2Cl)C1 ZINC000415260137 563764319 /nfs/dbraw/zinc/76/43/19/563764319.db2.gz ATUOHUCVPBCXHA-SECBINFHSA-N 1 0 379.629 2.770 20 0 GFADRO NS(=O)(=O)c1ccc(OCC[N@@H+]2CCSC[C@H]2c2cccs2)cc1 ZINC000363285535 563718319 /nfs/dbraw/zinc/71/83/19/563718319.db2.gz MWZBEDMKWIWIIC-HNNXBMFYSA-N 1 0 384.548 2.564 20 0 GFADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@H]1CCCC[C@@H]1n1cccn1 ZINC000414096151 563718696 /nfs/dbraw/zinc/71/86/96/563718696.db2.gz HJFMAPKHXSZTCA-KBMXLJTQSA-N 1 0 379.302 2.969 20 0 GFADRO CN(C)CC[N@H+](C)CCCN(C)C(=O)c1ccc(C(F)(F)F)nc1Cl ZINC000290722831 563719199 /nfs/dbraw/zinc/71/91/99/563719199.db2.gz VTTGETPQUJIRIO-UHFFFAOYSA-N 1 0 380.842 2.709 20 0 GFADRO O=C(NCCCN1CCOC1=O)C1CC[NH+](Cc2ccc(Cl)s2)CC1 ZINC000363343381 563720696 /nfs/dbraw/zinc/72/06/96/563720696.db2.gz SKBBAZXTACQZLL-UHFFFAOYSA-N 1 0 385.917 2.572 20 0 GFADRO O[C@@H](COc1cc(F)cc(Br)c1)C[NH+]1CCC(n2ccnc2)CC1 ZINC000439420452 563723734 /nfs/dbraw/zinc/72/37/34/563723734.db2.gz IZDSFHJNQCBDIN-MRXNPFEDSA-N 1 0 398.276 2.862 20 0 GFADRO COCc1ccccc1C[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000414266699 563723780 /nfs/dbraw/zinc/72/37/80/563723780.db2.gz MJLVKHYEEWZRMT-UHFFFAOYSA-N 1 0 399.310 2.533 20 0 GFADRO C[C@H](O)[C@H]1CCCC[N@@H+]1C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000439428378 563724038 /nfs/dbraw/zinc/72/40/38/563724038.db2.gz FSFDFZOXTRXPLN-HZUKXOBISA-N 1 0 376.266 2.563 20 0 GFADRO OC[C@H]([NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1)c1ccsc1 ZINC000439438564 563724496 /nfs/dbraw/zinc/72/44/96/563724496.db2.gz LHERTIFZZATLEH-HIFRSBDPSA-N 1 0 390.274 2.713 20 0 GFADRO C[C@@H]1C[N@H+](C[C@H](O)COc2cc(F)cc(Br)c2)[C@H](C)[C@@H](C)O1 ZINC000439440709 563724715 /nfs/dbraw/zinc/72/47/15/563724715.db2.gz OQJPJBLJKJDFOQ-BLTAXRJOSA-N 1 0 376.266 2.826 20 0 GFADRO Brc1cccc(-c2c[nH]c(CNC[C@H]3C[N@@H+]4CCC[C@H]4CO3)n2)c1 ZINC000363525284 563725246 /nfs/dbraw/zinc/72/52/46/563725246.db2.gz MQDJSGVJYZMVTB-HOTGVXAUSA-N 1 0 391.313 2.792 20 0 GFADRO Cc1c([C@@H](C)[NH2+]C[C@@H](O)COc2cc(F)cc(Br)c2)cnn1C ZINC000439454502 563725423 /nfs/dbraw/zinc/72/54/23/563725423.db2.gz RRHXRHCONJDAIE-QMTHXVAHSA-N 1 0 386.265 2.721 20 0 GFADRO CN(CC1CC1)S(=O)(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccc(Cl)c1 ZINC000363552925 563725911 /nfs/dbraw/zinc/72/59/11/563725911.db2.gz JMWUMPFQXSBTRM-FUHWJXTLSA-N 1 0 385.961 2.899 20 0 GFADRO OCCCC1CC[NH+](C[C@H](O)COc2cc(F)cc(Br)c2)CC1 ZINC000439458630 563726503 /nfs/dbraw/zinc/72/65/03/563726503.db2.gz TVZGMWOLDBLVQK-INIZCTEOSA-N 1 0 390.293 2.812 20 0 GFADRO CC[C@@H]1C[N@H+](C[C@@H](O)COc2cc(F)cc(Br)c2)CCCO1 ZINC000439484366 563727218 /nfs/dbraw/zinc/72/72/18/563727218.db2.gz OECDBHDYFSAJCV-HUUCEWRRSA-N 1 0 376.266 2.829 20 0 GFADRO Cc1cc(Br)cc2c1[C@@H]([NH2+]CCCCn1cc(C(N)=O)nn1)CC2 ZINC000414351450 563728383 /nfs/dbraw/zinc/72/83/83/563728383.db2.gz NIXCQKNZQWHXIS-AWEZNQCLSA-N 1 0 392.301 2.505 20 0 GFADRO COCCC[N@@H+]1CCCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC000363632263 563728468 /nfs/dbraw/zinc/72/84/68/563728468.db2.gz ACQVYCXPZLDPHR-UHFFFAOYSA-N 1 0 381.325 2.726 20 0 GFADRO CC[NH+](CC)C[C@H]1CCCC[C@@H]1NCc1ccc(S(N)(=O)=O)c(Cl)c1 ZINC000414370690 563729710 /nfs/dbraw/zinc/72/97/10/563729710.db2.gz VRHWPSUVPRFPHW-WBVHZDCISA-N 1 0 387.977 2.978 20 0 GFADRO NC(=O)[C@@H](N[C@H]1CC[N@H+](CC2CCCC2)C1)c1ccc(Br)cc1 ZINC000439647859 563729807 /nfs/dbraw/zinc/72/98/07/563729807.db2.gz MKLVYZVJMLDEIU-IRXDYDNUSA-N 1 0 380.330 2.830 20 0 GFADRO COC(=O)c1cc(C[NH2+][C@](C)(CO)c2ccc(Br)cc2)n(C)c1C ZINC000291035798 563730148 /nfs/dbraw/zinc/73/01/48/563730148.db2.gz JVBUJMUBHUFHNZ-GOSISDBHSA-N 1 0 395.297 2.880 20 0 GFADRO C[C@@H]1Cc2cc(S(=O)(=O)N3CCN(C)c4cc[nH+]cc43)cc(Cl)c2O1 ZINC000439917259 563733495 /nfs/dbraw/zinc/73/34/95/563733495.db2.gz SOPBYQQORZEMET-LLVKDONJSA-N 1 0 379.869 2.704 20 0 GFADRO CCOc1cc(CN2CCC[C@H](CNC(C)=O)C2)cc(Br)c1O ZINC000291381887 563741118 /nfs/dbraw/zinc/74/11/18/563741118.db2.gz BDJXPDCIGLWCBG-CYBMUJFWSA-N 1 0 385.302 2.902 20 0 GFADRO CNC(=O)NC(=O)CC[NH+]1CCC(C)(c2ccc(Br)cc2)CC1 ZINC000440494980 563742819 /nfs/dbraw/zinc/74/28/19/563742819.db2.gz KEQSPIIOUCKTLI-UHFFFAOYSA-N 1 0 382.302 2.648 20 0 GFADRO O=C1C[C@H](C[NH2+]Cc2cc(Br)ccc2OCc2ccccn2)CN1 ZINC000414476913 563743608 /nfs/dbraw/zinc/74/36/08/563743608.db2.gz AIPTZWAGDQDVNS-CYBMUJFWSA-N 1 0 390.281 2.649 20 0 GFADRO O=C(NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cccc(Br)c1 ZINC000440525973 563743931 /nfs/dbraw/zinc/74/39/31/563743931.db2.gz WGDQXUDTZBDUFX-IBGZPJMESA-N 1 0 389.293 2.816 20 0 GFADRO CCn1cc(Br)cc1C(=O)N1C[C@H]([NH3+])[C@@H](c2ccc(F)cc2)C1 ZINC000364163378 563745070 /nfs/dbraw/zinc/74/50/70/563745070.db2.gz XPWJXNCLIIOQOP-CABCVRRESA-N 1 0 380.261 2.977 20 0 GFADRO Cc1cnc(Br)c(NC(=O)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)c1 ZINC000291513072 563745923 /nfs/dbraw/zinc/74/59/23/563745923.db2.gz OUJWNWXPDCBQFO-CYBMUJFWSA-N 1 0 399.333 2.574 20 0 GFADRO CC(C)NC(=O)[C@H](C)[NH2+]Cc1cc(Br)cc(Br)c1N ZINC000414540136 563746259 /nfs/dbraw/zinc/74/62/59/563746259.db2.gz FWCYWGKOHKJQSF-QMMMGPOBSA-N 1 0 393.123 2.797 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+][C@H]1CCC[C@H](CO)C1 ZINC000414571140 563746893 /nfs/dbraw/zinc/74/68/93/563746893.db2.gz KBKCYELFHWYUCS-XEZPLFJOSA-N 1 0 399.329 2.603 20 0 GFADRO CCOc1cc(C[NH2+]C(C)(C)CN2CCOCC2)cc(Br)c1O ZINC000414559881 563747076 /nfs/dbraw/zinc/74/70/76/563747076.db2.gz QQFIGMXVJUQIKT-UHFFFAOYSA-N 1 0 387.318 2.754 20 0 GFADRO O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)Nc1ccc(Cl)cc1Cl ZINC000414671185 563749480 /nfs/dbraw/zinc/74/94/80/563749480.db2.gz NHQQVFIMBFYVGV-LBPRGKRZSA-N 1 0 385.217 2.951 20 0 GFADRO NC(=O)c1ccc(C[NH2+][C@@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)cc1 ZINC000364341938 563750359 /nfs/dbraw/zinc/75/03/59/563750359.db2.gz VPURNMFBKPJFKP-OAHLLOKOSA-N 1 0 378.259 2.987 20 0 GFADRO CC[NH2+]Cc1cccc(NC(=O)C(=O)NCc2cc(Br)cs2)c1 ZINC000414727382 563750931 /nfs/dbraw/zinc/75/09/31/563750931.db2.gz ANSXXWDBSUUTSH-UHFFFAOYSA-N 1 0 396.310 2.875 20 0 GFADRO COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000440812777 563750947 /nfs/dbraw/zinc/75/09/47/563750947.db2.gz WNKPJSSEOWSPNQ-ZIAGYGMSSA-N 1 0 390.933 2.503 20 0 GFADRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)Cc1cn(-c2ccccc2Br)nn1 ZINC000291653214 563752475 /nfs/dbraw/zinc/75/24/75/563752475.db2.gz USWHVMVBIWIBEA-BBRMVZONSA-N 1 0 378.318 2.802 20 0 GFADRO Cc1cc(Br)cc(C)c1S(=O)(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000440858928 563752583 /nfs/dbraw/zinc/75/25/83/563752583.db2.gz MAHUZYGFLLWRAK-OAHLLOKOSA-N 1 0 375.332 2.734 20 0 GFADRO O=S(=O)(c1cc(Br)ccc1F)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000440849744 563752603 /nfs/dbraw/zinc/75/26/03/563752603.db2.gz YCAUWPMUZADSNR-AWEZNQCLSA-N 1 0 391.306 2.741 20 0 GFADRO C[C@@H]1[C@H](N2CCOCC2)CCN1C(=O)c1c(Cl)nccc1C(F)(F)F ZINC000291670154 563752748 /nfs/dbraw/zinc/75/27/48/563752748.db2.gz RBAJYPIXCGZKHU-ZYHUDNBSSA-N 1 0 377.794 2.689 20 0 GFADRO COC[C@@]1(CN[C@@H](C)CC(=O)Nc2ccc(Br)cc2)CCC[NH2+]1 ZINC000414939665 563754392 /nfs/dbraw/zinc/75/43/92/563754392.db2.gz GSAKEIOCVSVYKK-GUYCJALGSA-N 1 0 384.318 2.524 20 0 GFADRO COC[C@@]1(CNCc2nc(-c3ccc(Br)cc3)c[nH]2)CCC[NH2+]1 ZINC000414940238 563754447 /nfs/dbraw/zinc/75/44/47/563754447.db2.gz HGZHSPGAEWHOQD-KRWDZBQOSA-N 1 0 379.302 2.697 20 0 GFADRO CCOC(=O)COc1c(Br)cc(C)cc1CNCC[C@H]1CCC[NH2+]1 ZINC000414908928 563754626 /nfs/dbraw/zinc/75/46/26/563754626.db2.gz SEDRZOWXHFALMM-OAHLLOKOSA-N 1 0 399.329 2.931 20 0 GFADRO FC(F)(F)[C@@H](CNCc1csc(-c2ccsc2)n1)N1CC[NH2+]CC1 ZINC000414983920 563756162 /nfs/dbraw/zinc/75/61/62/563756162.db2.gz LVCVRNHTXGOSLQ-CYBMUJFWSA-N 1 0 376.473 2.797 20 0 GFADRO COc1cc(Br)c(NC(=O)NC[C@@]2(C)CCC[NH2+]C2)cc1OC ZINC000414992536 563756197 /nfs/dbraw/zinc/75/61/97/563756197.db2.gz KRCDMAYREFAINU-INIZCTEOSA-N 1 0 386.290 2.978 20 0 GFADRO CCOc1c(Br)cc(CN[C@@H]2C[NH2+]CCC2(F)F)cc1OC ZINC000415007986 563756802 /nfs/dbraw/zinc/75/68/02/563756802.db2.gz VHRDIFSAVMYGJI-CYBMUJFWSA-N 1 0 379.245 2.943 20 0 GFADRO [NH3+]CC[C@@H](NCc1c(F)ccc(I)c1F)C(F)F ZINC000415001238 563756852 /nfs/dbraw/zinc/75/68/52/563756852.db2.gz XNUHZHXSJUONGW-SECBINFHSA-N 1 0 376.135 2.642 20 0 GFADRO O=C(Nc1ncn(Cc2cccc(Br)c2)n1)C12CCC[NH+]1CCC2 ZINC000415073276 563758126 /nfs/dbraw/zinc/75/81/26/563758126.db2.gz NJHXCUORVDHFAX-UHFFFAOYSA-N 1 0 390.285 2.656 20 0 GFADRO COc1ccc(I)c(NC(=O)N[C@](C)(C[NH3+])C2CC2)c1 ZINC000415074017 563758673 /nfs/dbraw/zinc/75/86/73/563758673.db2.gz OFJJRUTZLDWYRX-CQSZACIVSA-N 1 0 389.237 2.549 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)CC[C@@H]1CCC[NH2+]1 ZINC000291793512 563758920 /nfs/dbraw/zinc/75/89/20/563758920.db2.gz PDWPENYPIOGEHJ-AWEZNQCLSA-N 1 0 382.302 2.687 20 0 GFADRO O=C1N[C@H]2CN(Cc3cc(Cl)ccc3Cl)CC[C@@H]2N1C1CC[NH2+]CC1 ZINC000415135263 563760462 /nfs/dbraw/zinc/76/04/62/563760462.db2.gz FUPCVZGXAZESHX-IRXDYDNUSA-N 1 0 383.323 2.714 20 0 GFADRO CC(C)[N@H+](C)C[C@@H](C)NC(=O)c1ccnc(Cl)c1I ZINC000291864246 563762377 /nfs/dbraw/zinc/76/23/77/563762377.db2.gz KLIJQXCWIVUNQU-SECBINFHSA-N 1 0 395.672 2.798 20 0 GFADRO C[C@H](C[NH3+])CNC(=O)Cc1ccc(NC(=O)c2ccc(Br)o2)cc1 ZINC000441621728 563763129 /nfs/dbraw/zinc/76/31/29/563763129.db2.gz CEFLLTHRYXXCKR-LLVKDONJSA-N 1 0 394.269 2.548 20 0 GFADRO O=C(NCC[C@H]1CCC[NH2+]1)Nc1cc(F)c(F)cc1I ZINC000415243141 563763563 /nfs/dbraw/zinc/76/35/63/563763563.db2.gz VGBUFCJIDLEYSL-MRVPVSSYSA-N 1 0 395.191 2.833 20 0 GFADRO CN(C(=O)/C=C/c1cc(Br)c2c(c1)OCCO2)[C@@H]1CCC[NH2+]CC1 ZINC000364797641 563763886 /nfs/dbraw/zinc/76/38/86/563763886.db2.gz KBKLIZFLCIVGSV-ISZGNANSSA-N 1 0 395.297 2.834 20 0 GFADRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)Nc1ccc(F)cc1I ZINC000415254454 563764339 /nfs/dbraw/zinc/76/43/39/563764339.db2.gz SIOMZUSPHDDZSP-GZMMTYOYSA-N 1 0 377.201 2.550 20 0 GFADRO [NH3+]C[C@H]1CCCN1C(=O)Nc1cc(I)ccc1Cl ZINC000415266015 563764655 /nfs/dbraw/zinc/76/46/55/563764655.db2.gz LACIIRWOWNMATG-SECBINFHSA-N 1 0 379.629 2.900 20 0 GFADRO [NH3+]C[C@H]1CCN(C(=O)Nc2cc(I)ccc2Cl)C1 ZINC000415263134 563764766 /nfs/dbraw/zinc/76/47/66/563764766.db2.gz HGCIZFPSZVAELE-MRVPVSSYSA-N 1 0 379.629 2.757 20 0 GFADRO [NH3+][C@@H]1CCCN(C(=O)Nc2ccc(Cl)cc2I)C1 ZINC000415284100 563765416 /nfs/dbraw/zinc/76/54/16/563765416.db2.gz OJEVEQHWTLIGTD-SECBINFHSA-N 1 0 379.629 2.900 20 0 GFADRO C[C@@H](C(=O)NCCCC[N@@H+]1CCC[C@@H]1CO)c1cccc(Br)c1 ZINC000291945794 563765990 /nfs/dbraw/zinc/76/59/90/563765990.db2.gz PVYMHFUFERFWEB-RHSMWYFYSA-N 1 0 383.330 2.906 20 0 GFADRO COC[C@@]1(CNC(=O)Nc2ccc(Cl)c(Br)c2)CCC[NH2+]1 ZINC000415293215 563766208 /nfs/dbraw/zinc/76/62/08/563766208.db2.gz IRCVTMQCDJIBRS-AWEZNQCLSA-N 1 0 376.682 2.993 20 0 GFADRO CCC[N@H+](CC)C[C@@H](C)NC(=O)c1ccc(CS(=O)(=O)C(F)F)cc1 ZINC000291963700 563766764 /nfs/dbraw/zinc/76/67/64/563766764.db2.gz GZJWGRMYIZTDME-CYBMUJFWSA-N 1 0 376.469 2.674 20 0 GFADRO CN(C(=O)C(=O)Nc1cccnc1-c1ccc(Cl)s1)C1CC[NH2+]CC1 ZINC000415329964 563767387 /nfs/dbraw/zinc/76/73/87/563767387.db2.gz RAFUGOIELHZNEW-UHFFFAOYSA-N 1 0 378.885 2.612 20 0 GFADRO COC(=O)c1cc(Br)ccc1NC(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000415331396 563767409 /nfs/dbraw/zinc/76/74/09/563767409.db2.gz MHXDQDNMRCDAAJ-QGZVFWFLSA-N 1 0 396.285 2.843 20 0 GFADRO C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)Nc1cc(F)c(Br)cc1F ZINC000415348655 563768883 /nfs/dbraw/zinc/76/88/83/563768883.db2.gz FMMWTOSTRDWVBH-JVXZTZIISA-N 1 0 378.217 2.962 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)Nc2cnn(-c3ccccc3Br)c2)C1 ZINC000415350911 563769320 /nfs/dbraw/zinc/76/93/20/563769320.db2.gz GURKMVVIGCEQBC-NEPJUHHUSA-N 1 0 378.274 2.836 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000415350261 563769355 /nfs/dbraw/zinc/76/93/55/563769355.db2.gz MOUMLBHWTOBQBC-STQMWFEESA-N 1 0 382.302 2.509 20 0 GFADRO C[C@@H](NC(=O)C(=O)Nc1ccc(Cl)cc1C(F)(F)F)[C@H]1CCC[NH2+]C1 ZINC000415350008 563769442 /nfs/dbraw/zinc/76/94/42/563769442.db2.gz HPCWVWDFXPWLHT-ZJUUUORDSA-N 1 0 377.794 2.802 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)Nc2cnn(-c3ccccc3Br)c2)C1 ZINC000415350914 563769484 /nfs/dbraw/zinc/76/94/84/563769484.db2.gz GURKMVVIGCEQBC-NWDGAFQWSA-N 1 0 378.274 2.836 20 0 GFADRO Cc1ccc(C[NH2+][C@H](C)C2CCS(=O)(=O)CC2)c(-n2cc(Cl)cn2)n1 ZINC000364952347 563769716 /nfs/dbraw/zinc/76/97/16/563769716.db2.gz BLYPHXFMWQJPKM-CYBMUJFWSA-N 1 0 382.917 2.532 20 0 GFADRO CCOC(=O)c1cc(Br)ccc1NC(=O)N[C@H](CC[NH3+])C(F)F ZINC000415354322 563770221 /nfs/dbraw/zinc/77/02/21/563770221.db2.gz RPQOWZOERPXZRH-LLVKDONJSA-N 1 0 394.216 2.730 20 0 GFADRO Cc1ccc(-c2csc(NC(=O)C(=O)N3CCC([C@@H](C)[NH3+])CC3)n2)s1 ZINC000415375633 563771195 /nfs/dbraw/zinc/77/11/95/563771195.db2.gz FLFJTANSOJHIHY-LLVKDONJSA-N 1 0 378.523 2.704 20 0 GFADRO O=C(NC[C@H]1CCC[NH2+]1)C(=O)Nc1cc(Cl)ccc1SCC(F)(F)F ZINC000415371884 563771477 /nfs/dbraw/zinc/77/14/77/563771477.db2.gz GCDDGKHVBUDAQZ-SNVBAGLBSA-N 1 0 395.834 2.801 20 0 GFADRO CN1CCN(C2CCN(C(=O)Nc3cc(Cl)ccc3Cl)CC2)C(=O)C1 ZINC000365018411 563771736 /nfs/dbraw/zinc/77/17/36/563771736.db2.gz WEQYCAKPHYFUHQ-UHFFFAOYSA-N 1 0 385.295 2.764 20 0 GFADRO Cc1cc(F)c(NC(=O)NC[C@@H]2CCC[NH2+]2)c(I)c1 ZINC000415383307 563771766 /nfs/dbraw/zinc/77/17/66/563771766.db2.gz BRDNMJYMWXCXMC-VIFPVBQESA-N 1 0 377.201 2.612 20 0 GFADRO Cc1cc(F)c(NC(=O)N2CC[C@H]([C@@H](C)[NH3+])C2)c(I)c1 ZINC000415391431 563771835 /nfs/dbraw/zinc/77/18/35/563771835.db2.gz LQYQOTYZVUFEIW-ZJUUUORDSA-N 1 0 391.228 2.940 20 0 GFADRO Cc1cc(F)c(NC(=O)N2CC[NH2+]C[C@@H]2C)c(I)c1 ZINC000415390976 563771955 /nfs/dbraw/zinc/77/19/55/563771955.db2.gz KXSPKKFPVKMGED-VIFPVBQESA-N 1 0 377.201 2.564 20 0 GFADRO O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)Nc1c(F)cc(Cl)cc1F ZINC000415397675 563772653 /nfs/dbraw/zinc/77/26/53/563772653.db2.gz AOMZGWXGXQCXDF-NSHDSACASA-N 1 0 386.752 2.576 20 0 GFADRO COC(=O)c1cc(NC(=O)N[C@@H]2CC[NH2+]CC2(C)C)ccc1Br ZINC000415402145 563772771 /nfs/dbraw/zinc/77/27/71/563772771.db2.gz IKHWIYFJWVTXTA-CYBMUJFWSA-N 1 0 384.274 2.745 20 0 GFADRO CCCN(C(=O)C(=O)Nc1ccc(Cl)cc1C(F)(F)F)[C@@H]1CC[NH2+]C1 ZINC000415402485 563773012 /nfs/dbraw/zinc/77/30/12/563773012.db2.gz KBCXAEOBMLFFSN-LLVKDONJSA-N 1 0 377.794 2.898 20 0 GFADRO COc1cc(NC(=O)N2CC[C@]3(CC[NH2+]C3)C2)cc(OC)c1Br ZINC000415413907 563773628 /nfs/dbraw/zinc/77/36/28/563773628.db2.gz OOABYGLGWRGTDC-INIZCTEOSA-N 1 0 384.274 2.684 20 0 GFADRO CSc1cccc(NC(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)c1C ZINC000415415353 563773744 /nfs/dbraw/zinc/77/37/44/563773744.db2.gz QJVNYOQMDPSQKR-AWEZNQCLSA-N 1 0 376.448 2.675 20 0 GFADRO Cc1csc(Sc2ccc(NC(=O)C(=O)N(C)[C@@H](C)C[NH3+])c(C)c2)n1 ZINC000415412757 563773841 /nfs/dbraw/zinc/77/38/41/563773841.db2.gz CSSCNPUESZNTOY-LBPRGKRZSA-N 1 0 378.523 2.655 20 0 GFADRO COCCOc1ccc(Br)cc1NC(=O)N(C)[C@H](C[NH3+])C1CC1 ZINC000415423764 563774143 /nfs/dbraw/zinc/77/41/43/563774143.db2.gz HHVNHQKXVCJMIR-CQSZACIVSA-N 1 0 386.290 2.675 20 0 GFADRO CSc1ccc(C)c(NC(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)c1 ZINC000415419958 563774209 /nfs/dbraw/zinc/77/42/09/563774209.db2.gz VUXXERQDJMOPJB-CQSZACIVSA-N 1 0 376.448 2.675 20 0 GFADRO C[N@@H+]1CC[C@]2(CCN(S(=O)(=O)c3ccc(Cl)cc3Br)C2)C1 ZINC000292119198 563774480 /nfs/dbraw/zinc/77/44/80/563774480.db2.gz WKSAUCCOVDDPNT-AWEZNQCLSA-N 1 0 393.734 2.819 20 0 GFADRO CC(C)c1cc(Br)ccc1NC(=O)C(=O)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000415432934 563775689 /nfs/dbraw/zinc/77/56/89/563775689.db2.gz HQWWJJXRDGTKLC-BXUZGUMPSA-N 1 0 382.302 2.707 20 0 GFADRO Cc1cc(NC(=O)C(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)cc(C)c1Br ZINC000415436373 563775708 /nfs/dbraw/zinc/77/57/08/563775708.db2.gz JYUWGYJRSHGOAH-CHWSQXEVSA-N 1 0 382.302 2.590 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)C1 ZINC000415440309 563776130 /nfs/dbraw/zinc/77/61/30/563776130.db2.gz MHQJYJHSNDYZDN-VHSXEESVSA-N 1 0 377.794 2.883 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)Nc2cccc(Br)c2Cl)C1 ZINC000415439838 563776248 /nfs/dbraw/zinc/77/62/48/563776248.db2.gz LXHFVDCKHCOWGP-NXEZZACHSA-N 1 0 388.693 2.627 20 0 GFADRO C[C@H]1CN(C(=O)C(=O)Nc2cccnc2-c2ccc(Cl)s2)CC[C@@H]1[NH3+] ZINC000415448464 563776519 /nfs/dbraw/zinc/77/65/19/563776519.db2.gz QNRPMUCRCBKENP-QWRGUYRKSA-N 1 0 378.885 2.598 20 0 GFADRO CCOCCOc1ccc(Br)cc1NC(=O)NCC1=CC[NH2+]CC1 ZINC000415461429 563776995 /nfs/dbraw/zinc/77/69/95/563776995.db2.gz NVVOZTBUIZWYRN-UHFFFAOYSA-N 1 0 398.301 2.906 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)CC[C@@H]1CCC[NH2+]1 ZINC000292174300 563777330 /nfs/dbraw/zinc/77/73/30/563777330.db2.gz WIHIRAUQUKCULU-AWEZNQCLSA-N 1 0 382.302 2.735 20 0 GFADRO COC(=O)c1cc(Br)c(F)cc1NC(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000415471900 563777513 /nfs/dbraw/zinc/77/75/13/563777513.db2.gz SLZFLHGJFXRQMZ-BDAKNGLRSA-N 1 0 388.237 2.766 20 0 GFADRO CCOCCOc1ccc(Br)cc1NC(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000415469628 563777602 /nfs/dbraw/zinc/77/76/02/563777602.db2.gz XAFFNROIKPKSDX-DGCLKSJQSA-N 1 0 386.290 2.675 20 0 GFADRO CCCC[C@@H](C[NH3+])NC(=O)C(=O)Nc1cccc2c(Br)ccnc12 ZINC000415490284 563778991 /nfs/dbraw/zinc/77/89/91/563778991.db2.gz BXIAFUWVJBTGGE-NSHDSACASA-N 1 0 393.285 2.570 20 0 GFADRO CC1(C)C[NH2+]CC[C@H]1NC(=O)Nc1nnc(-c2c(F)cccc2Cl)s1 ZINC000415508087 563780223 /nfs/dbraw/zinc/78/02/23/563780223.db2.gz FKNLVKHQQLZKLT-LLVKDONJSA-N 1 0 383.880 3.507 20 0 GFADRO CCCN(C(=O)C(=O)Nc1ccc(Br)cc1F)C1CC[NH2+]CC1 ZINC000415507328 563780396 /nfs/dbraw/zinc/78/03/96/563780396.db2.gz VHCYPGOOTSEJMG-UHFFFAOYSA-N 1 0 386.265 2.517 20 0 GFADRO O=C(NCCC[NH2+]C1CC1)Nc1ccnn1Cc1cccc(Br)c1 ZINC000415518424 563780657 /nfs/dbraw/zinc/78/06/57/563780657.db2.gz AHYCPGQHEKEYRL-UHFFFAOYSA-N 1 0 392.301 2.958 20 0 GFADRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)Nc2ccnn2Cc2cccc(Br)c2)C1 ZINC000415518420 563781017 /nfs/dbraw/zinc/78/10/17/563781017.db2.gz AGXKGOAWJMFOEX-IUODEOHRSA-N 1 0 392.301 2.943 20 0 GFADRO C[C@]1(C[NH3+])CCN(C(=O)Nc2ccnn2Cc2ccccc2Br)C1 ZINC000415522317 563781432 /nfs/dbraw/zinc/78/14/32/563781432.db2.gz NAGFAMMGACNJQC-QGZVFWFLSA-N 1 0 392.301 2.897 20 0 GFADRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)Nc1ccnn1Cc1ccccc1Br ZINC000415519381 563781630 /nfs/dbraw/zinc/78/16/30/563781630.db2.gz FZSZDOBIXKGXIP-CHWSQXEVSA-N 1 0 392.301 2.895 20 0 GFADRO CC1(C)CN(C(=O)Nc2ccnn2Cc2ccccc2Br)CC[NH2+]1 ZINC000415520664 563781643 /nfs/dbraw/zinc/78/16/43/563781643.db2.gz IYIGMYBRECKVHW-UHFFFAOYSA-N 1 0 392.301 2.910 20 0 GFADRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)Nc1ccc(-c2ccc(Cl)s2)nc1 ZINC000415525466 563781966 /nfs/dbraw/zinc/78/19/66/563781966.db2.gz PFOZZCBVYFTLJY-GHMZBOCLSA-N 1 0 378.885 2.598 20 0 GFADRO Cc1nnc(CCNC(=O)N(CC[NH+](C)C)Cc2cccc(Cl)c2)s1 ZINC000292331648 563782664 /nfs/dbraw/zinc/78/26/64/563782664.db2.gz NCROJBBIURGPGX-UHFFFAOYSA-N 1 0 381.933 2.816 20 0 GFADRO C[C@@H]1CN(C(=O)Nc2ccnn2Cc2cccc(Br)c2)CC[NH2+]1 ZINC000415526731 563782757 /nfs/dbraw/zinc/78/27/57/563782757.db2.gz KMFZLSCTJZOFQP-GFCCVEGCSA-N 1 0 378.274 2.520 20 0 GFADRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)Nc1ccnn1Cc1ccc(Br)cc1 ZINC000415531738 563783340 /nfs/dbraw/zinc/78/33/40/563783340.db2.gz PWKUYUOELVLKIG-QWHCGFSZSA-N 1 0 392.301 2.908 20 0 GFADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1cc(Cl)cc(Br)c1F ZINC000365523522 563785981 /nfs/dbraw/zinc/78/59/81/563785981.db2.gz QYYQFFHYZSDVHR-QWRGUYRKSA-N 1 0 391.668 2.835 20 0 GFADRO CCc1n[nH]c(C(=O)N[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)c1Br ZINC000365538088 563786197 /nfs/dbraw/zinc/78/61/97/563786197.db2.gz NMNAYASDASEEKK-GXTWGEPZSA-N 1 0 377.286 2.562 20 0 GFADRO Cc1csc(=O)n1CCC(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000365534995 563786264 /nfs/dbraw/zinc/78/62/64/563786264.db2.gz HFQICBGSUKMKTF-PBHICJAKSA-N 1 0 379.551 2.869 20 0 GFADRO COC(=O)c1c(C)c(NC(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)ccc1Br ZINC000415594411 563786277 /nfs/dbraw/zinc/78/62/77/563786277.db2.gz GIDDPIWDWRGTBQ-GHMZBOCLSA-N 1 0 384.274 2.793 20 0 GFADRO COC(=O)c1c(Br)ccc(NC(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)c1C ZINC000415604232 563787345 /nfs/dbraw/zinc/78/73/45/563787345.db2.gz VHLFIQLIJDLSSD-TXEJJXNPSA-N 1 0 396.285 2.902 20 0 GFADRO CC(C)Sc1c(Cl)cccc1NC(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000415607414 563787533 /nfs/dbraw/zinc/78/75/33/563787533.db2.gz SPSZVUDJAYLRKE-SFHVURJKSA-N 1 0 381.929 2.991 20 0 GFADRO COC(=O)c1cccc(NC(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)c1Br ZINC000415616554 563787976 /nfs/dbraw/zinc/78/79/76/563787976.db2.gz UCSOPRQUTMOXOI-WDEREUQCSA-N 1 0 384.274 2.875 20 0 GFADRO COC(=O)c1cccc(NC(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)c1Br ZINC000415616550 563788080 /nfs/dbraw/zinc/78/80/80/563788080.db2.gz UCSOPRQUTMOXOI-MNOVXSKESA-N 1 0 384.274 2.875 20 0 GFADRO O=C(Nc1cc(Cl)ccc1C(F)(F)F)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000415610056 563788169 /nfs/dbraw/zinc/78/81/69/563788169.db2.gz WOAYKXJVQRYZDU-OAHLLOKOSA-N 1 0 375.778 2.509 20 0 GFADRO O=S(=O)(c1ccc(Cl)s1)N1CCC[N@H+](CCC2CCOCC2)CC1 ZINC000292479280 563788414 /nfs/dbraw/zinc/78/84/14/563788414.db2.gz AIGHWFRIGVVZCL-UHFFFAOYSA-N 1 0 392.974 2.915 20 0 GFADRO COC(=O)c1cc(F)c(Br)cc1NC(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000415630654 563788818 /nfs/dbraw/zinc/78/88/18/563788818.db2.gz FHHUGMIWYHSHRP-RKDXNWHRSA-N 1 0 388.237 2.624 20 0 GFADRO CCn1nc(C)c(S(=O)(=O)NC2CCN(Cc3ccsc3)CC2)c1C ZINC000365612622 563789064 /nfs/dbraw/zinc/78/90/64/563789064.db2.gz UFDIHEOLAJOETB-UHFFFAOYSA-N 1 0 382.555 2.524 20 0 GFADRO CC(C)c1cc(Br)ccc1NC(=O)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000415638420 563789327 /nfs/dbraw/zinc/78/93/27/563789327.db2.gz BNFTWEIJQURIHF-QWHCGFSZSA-N 1 0 382.302 2.897 20 0 GFADRO [NH3+][C@H]1CCC[C@@H](NC(=O)C(=O)Nc2cc(Cl)ccc2OC(F)(F)F)C1 ZINC000415640965 563790117 /nfs/dbraw/zinc/79/01/17/563790117.db2.gz FMPBDQHTVRKKQA-VHSXEESVSA-N 1 0 379.766 2.563 20 0 GFADRO [NH3+]CC[C@H]1CCCN(CC(=O)Nc2c(F)cc(F)cc2Br)C1 ZINC000443060656 563790203 /nfs/dbraw/zinc/79/02/03/563790203.db2.gz PLPWGABATPLYTO-SNVBAGLBSA-N 1 0 376.245 2.727 20 0 GFADRO COC[C@@]1(CNC(=O)Nc2cccc(Br)c2Cl)CCC[NH2+]1 ZINC000415692554 563791143 /nfs/dbraw/zinc/79/11/43/563791143.db2.gz OPLJHFDFTGKSAT-AWEZNQCLSA-N 1 0 376.682 2.993 20 0 GFADRO [NH3+]CC[C@H]1CCCN(C(=O)C(=O)Nc2ccc(Cl)c(Br)c2)C1 ZINC000415679659 563791200 /nfs/dbraw/zinc/79/12/00/563791200.db2.gz QCPAOKQWAMDCJS-SNVBAGLBSA-N 1 0 388.693 2.628 20 0 GFADRO COC(=O)c1cc(NC(=O)NCC[C@@H]2CC[NH2+]C2)c(C)cc1Br ZINC000415714755 563793335 /nfs/dbraw/zinc/79/33/35/563793335.db2.gz YFPCEISFTOVXLX-NSHDSACASA-N 1 0 384.274 2.665 20 0 GFADRO C[C@H](CCCC[NH3+])NC(=O)C(=O)Nc1cccc2c(Br)ccnc12 ZINC000415748229 563793798 /nfs/dbraw/zinc/79/37/98/563793798.db2.gz YCHJVQXYZDVVLE-LLVKDONJSA-N 1 0 393.285 2.570 20 0 GFADRO C[C@H](CCCC[NH3+])NC(=O)C(=O)Nc1cccc(Br)c1Cl ZINC000415742231 563793897 /nfs/dbraw/zinc/79/38/97/563793897.db2.gz MFHLNARVDXZNAW-SECBINFHSA-N 1 0 376.682 2.675 20 0 GFADRO CN(CC(C)(C)C[NH3+])C(=O)Nc1ccn(-c2ccc(Br)cc2)n1 ZINC000415751802 563794574 /nfs/dbraw/zinc/79/45/74/563794574.db2.gz BLOKOBHLLFNYDV-UHFFFAOYSA-N 1 0 380.290 3.083 20 0 GFADRO COc1ccc(Br)cc1C1(C(=O)N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)CC1 ZINC000415757467 563794659 /nfs/dbraw/zinc/79/46/59/563794659.db2.gz JAISUQZTKKNGEZ-SWLSCSKDSA-N 1 0 379.298 2.652 20 0 GFADRO CC(C)(CCC[NH3+])NC(=O)C(=O)Nc1cc(Cl)ccc1Br ZINC000415766090 563794941 /nfs/dbraw/zinc/79/49/41/563794941.db2.gz VLSNMGTYKGBGSB-UHFFFAOYSA-N 1 0 376.682 2.675 20 0 GFADRO CC[C@@H]([NH3+])CNC(=O)C(=O)Nc1ccc(Br)c(Cl)c1Cl ZINC000415777237 563796281 /nfs/dbraw/zinc/79/62/81/563796281.db2.gz CNJXDMXOZMSHNS-ZCFIWIBFSA-N 1 0 383.073 2.548 20 0 GFADRO CC(C)c1cc(Br)ccc1NC(=O)C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000415778917 563796334 /nfs/dbraw/zinc/79/63/34/563796334.db2.gz KEOGTIVKZJMSJJ-IUODEOHRSA-N 1 0 394.313 2.721 20 0 GFADRO COc1nc(N(C)C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)ncc1Br ZINC000365974938 563796581 /nfs/dbraw/zinc/79/65/81/563796581.db2.gz IVBGQYMNWPUXMX-ZFWWWQNUSA-N 1 0 392.301 2.772 20 0 GFADRO [NH3+][C@H]1CCC[C@@H](CNC(=O)C(=O)Nc2cc(Cl)ccc2Br)C1 ZINC000415805442 563797108 /nfs/dbraw/zinc/79/71/08/563797108.db2.gz JBSWFVKJUCWADU-KOLCDFICSA-N 1 0 388.693 2.675 20 0 GFADRO [NH3+]C[C@@H](NC(=O)C(=O)Nc1ccc(Cl)cc1Br)C1CCCC1 ZINC000415829090 563798876 /nfs/dbraw/zinc/79/88/76/563798876.db2.gz CCUZWKCDBHNETH-CYBMUJFWSA-N 1 0 388.693 2.675 20 0 GFADRO CC(C)(CO)[C@H]([NH2+]CCS(=O)(=O)c1cccc(Br)c1)C1CC1 ZINC000293098236 563800168 /nfs/dbraw/zinc/80/01/68/563800168.db2.gz QAGFEJKYQQVEMZ-OAHLLOKOSA-N 1 0 390.343 2.610 20 0 GFADRO CS(=O)(=O)CCCCCNC(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000415958290 563801195 /nfs/dbraw/zinc/80/11/95/563801195.db2.gz WTRVNIKVNRJNHR-UHFFFAOYSA-N 1 0 381.420 2.501 20 0 GFADRO CC[NH+](CC)CCCNC(=O)C(=O)Nc1ccc(Br)c(C2CC2)n1 ZINC000293166892 563802278 /nfs/dbraw/zinc/80/22/78/563802278.db2.gz XCISJAZNDZQHJM-UHFFFAOYSA-N 1 0 397.317 2.508 20 0 GFADRO COCCC[NH+]1CCC(NC(=O)c2cc(Br)cc(N(C)C)c2)CC1 ZINC000293167105 563802344 /nfs/dbraw/zinc/80/23/44/563802344.db2.gz OZMQUYFJQCRHLK-UHFFFAOYSA-N 1 0 398.345 2.746 20 0 GFADRO O=S(=O)(c1cccs1)N1CCC([NH2+][C@H](CCO)c2ccccc2)CC1 ZINC000366241362 563802514 /nfs/dbraw/zinc/80/25/14/563802514.db2.gz RTUOAHOBRWVPNP-QGZVFWFLSA-N 1 0 380.535 2.615 20 0 GFADRO CS(=O)(=O)CC[C@@H]1CCCC[N@@H+]1CCC(=O)NCc1ccccc1Cl ZINC000366379432 563806939 /nfs/dbraw/zinc/80/69/39/563806939.db2.gz PTCMFRSCQDJXBR-INIZCTEOSA-N 1 0 386.945 2.636 20 0 GFADRO O=C(CN1C[C@H]2[C@H](CO)[C@H]2C1)Nc1ccc(Br)c(C(F)(F)F)c1 ZINC000366435591 563808254 /nfs/dbraw/zinc/80/82/54/563808254.db2.gz LTQPTVMYTVODSD-URLYPYJESA-N 1 0 393.203 2.577 20 0 GFADRO C[C@H]1C[NH+](CCCCNC(=O)c2[nH]nc(C3CC3)c2Br)C[C@H](C)O1 ZINC000443670124 563809590 /nfs/dbraw/zinc/80/95/90/563809590.db2.gz CHDSOEAMGMKYIG-RYUDHWBXSA-N 1 0 399.333 2.669 20 0 GFADRO O=C(N[C@H]1CC12CC[NH2+]CC2)c1cnn(-c2ccc(Br)cc2)c1 ZINC000366552418 563813489 /nfs/dbraw/zinc/81/34/89/563813489.db2.gz CYMAKRJFQXNNTK-HNNXBMFYSA-N 1 0 375.270 2.507 20 0 GFADRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1nc(C2CC2)ncc1Br ZINC000366572460 563814296 /nfs/dbraw/zinc/81/42/96/563814296.db2.gz SCTTVRIVHDSADZ-DGCLKSJQSA-N 1 0 379.302 2.815 20 0 GFADRO C[C@@H]1CN(C(=O)CCOc2cccc(Cl)c2Cl)[C@@H](C)C[N@@H+]1CCO ZINC000416296204 563814418 /nfs/dbraw/zinc/81/44/18/563814418.db2.gz NLOLOLSRJPNDKE-OLZOCXBDSA-N 1 0 375.296 2.676 20 0 GFADRO C[N@@H+](Cc1cnn(-c2cccc(Cl)c2)c1)C[C@@H](O)COCC(F)(F)F ZINC000366611331 563815393 /nfs/dbraw/zinc/81/53/93/563815393.db2.gz MBTJNCCRGNRWSS-OAHLLOKOSA-N 1 0 377.794 2.897 20 0 GFADRO Cc1cc(CCC(=O)N2C[C@@H](C)[N@@H+](CCO)C[C@H]2C)ccc1Br ZINC000416318663 563815818 /nfs/dbraw/zinc/81/58/18/563815818.db2.gz XZNXPDWRDACBFP-HUUCEWRRSA-N 1 0 383.330 2.604 20 0 GFADRO CC1(C)CCC[N@H+](CCNS(=O)(=O)c2ccc(F)cc2Br)C1 ZINC000443979006 563816864 /nfs/dbraw/zinc/81/68/64/563816864.db2.gz MGJDMWBRZBCBKA-UHFFFAOYSA-N 1 0 393.322 2.989 20 0 GFADRO CC[NH+](CC)[C@@H]1CCN(S(=O)(=O)c2cc(C)cc(Br)c2)C1 ZINC000444070006 563819798 /nfs/dbraw/zinc/81/97/98/563819798.db2.gz GTFNOCLUXABMMC-CQSZACIVSA-N 1 0 375.332 2.862 20 0 GFADRO O=S(=O)(c1ccc(C(F)(F)F)cc1F)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000444068123 563819914 /nfs/dbraw/zinc/81/99/14/563819914.db2.gz FOJGQOIFGWKXOQ-LBPRGKRZSA-N 1 0 380.407 2.951 20 0 GFADRO CCC[NH+]1CCC(N(C)S(=O)(=O)c2cc(Cl)c(OC)cc2OC)CC1 ZINC000416382589 563820468 /nfs/dbraw/zinc/82/04/68/563820468.db2.gz CKVGAXVXXWHWEW-UHFFFAOYSA-N 1 0 390.933 2.852 20 0 GFADRO O=C(NCCSCCOc1cccc(Br)c1)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000444121662 563822143 /nfs/dbraw/zinc/82/21/43/563822143.db2.gz LXHIBRJNSAOJLE-NVXWUHKLSA-N 1 0 399.354 2.677 20 0 GFADRO CC(C)[N@H+](C)CCNS(=O)(=O)c1cc(Br)sc1Cl ZINC000444170100 563823334 /nfs/dbraw/zinc/82/33/34/563823334.db2.gz UBLAETOOYIBMLI-UHFFFAOYSA-N 1 0 375.741 2.783 20 0 GFADRO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)c1cnn(-c2cccc(Br)c2)c1C ZINC000366945728 563825850 /nfs/dbraw/zinc/82/58/50/563825850.db2.gz QAWLKGBMXGFNID-ZFWWWQNUSA-N 1 0 395.276 2.715 20 0 GFADRO Cc1sc(Br)cc1S(=O)(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000366945067 563826143 /nfs/dbraw/zinc/82/61/43/563826143.db2.gz IWGJEXOETAKDDX-UHFFFAOYSA-N 1 0 379.345 2.583 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000444261355 563826559 /nfs/dbraw/zinc/82/65/59/563826559.db2.gz FNJYAYJRIUQUBD-LSDHHAIUSA-N 1 0 384.567 2.609 20 0 GFADRO C[C@H](CNC(=O)c1ccc(Br)c(Cl)c1F)N1CC[NH+](C)CC1 ZINC000444261287 563826565 /nfs/dbraw/zinc/82/65/65/563826565.db2.gz FCEPTUCCEPGMQX-SNVBAGLBSA-N 1 0 392.700 2.607 20 0 GFADRO COc1cc(OC)c(S(=O)(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)cc1Cl ZINC000416419186 563826574 /nfs/dbraw/zinc/82/65/74/563826574.db2.gz UEQZYHLKIYJSJB-NWDGAFQWSA-N 1 0 376.906 2.508 20 0 GFADRO C[C@H](Sc1nc2ccccc2s1)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000367149853 563833015 /nfs/dbraw/zinc/83/30/15/563833015.db2.gz ZGOJXBBOJDVVHK-IHRRRGAJSA-N 1 0 377.535 2.756 20 0 GFADRO COc1ccc(Cl)cc1N1CC[C@H]([NH2+][C@H]2CCC[C@H](S(C)(=O)=O)C2)C1 ZINC000294223276 563834460 /nfs/dbraw/zinc/83/44/60/563834460.db2.gz LZGGJNCYROJZSA-JYJNAYRXSA-N 1 0 386.945 2.873 20 0 GFADRO O=C(C[N@H+]1CC[C@@H](CC(F)(F)F)C1)N1CCN(Cc2ccsc2)CC1 ZINC000444704366 563835966 /nfs/dbraw/zinc/83/59/66/563835966.db2.gz KZKMLOUXMIACDQ-AWEZNQCLSA-N 1 0 375.460 2.667 20 0 GFADRO COc1cc(OC)c(S(=O)(=O)N2CC[C@H]([NH+]3CCCC3)[C@H]2C)cc1Cl ZINC000416486047 563837170 /nfs/dbraw/zinc/83/71/70/563837170.db2.gz HJVKPPFRCZJNAF-OCCSQVGLSA-N 1 0 388.917 2.605 20 0 GFADRO Cc1c(I)cccc1C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000367379822 563842883 /nfs/dbraw/zinc/84/28/83/563842883.db2.gz MYSYREWZUPVZJM-UHFFFAOYSA-N 1 0 384.261 2.815 20 0 GFADRO CC(C)[NH+]1CCC(NC(=O)[C@@H]2CC(=O)Nc3ccc(Br)cc32)CC1 ZINC000445247604 563846252 /nfs/dbraw/zinc/84/62/52/563846252.db2.gz HPGVNTKGVGWVMZ-OAHLLOKOSA-N 1 0 394.313 2.864 20 0 GFADRO C[N@@H+]1CCC[C@@H](CCNS(=O)(=O)c2cccc(OC(F)(F)F)c2F)C1 ZINC000416549674 563847217 /nfs/dbraw/zinc/84/72/17/563847217.db2.gz CWYURJOLESPECG-NSHDSACASA-N 1 0 384.395 2.735 20 0 GFADRO COC(=O)[C@H](C)C[NH+]1CCC(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000367558429 563848569 /nfs/dbraw/zinc/84/85/69/563848569.db2.gz BBQNPAHUXHVYJY-GFCCVEGCSA-N 1 0 383.286 2.909 20 0 GFADRO CN1CC[NH+](C[C@H]2CCCN(CCOc3ccccc3Br)C2)CC1 ZINC000367622789 563850619 /nfs/dbraw/zinc/85/06/19/563850619.db2.gz KAEFYGXJNORSEG-KRWDZBQOSA-N 1 0 396.373 2.787 20 0 GFADRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2Cc2ncc(I)s2)C1 ZINC000367710150 563852991 /nfs/dbraw/zinc/85/29/91/563852991.db2.gz YORNUUOUTDTHJN-GHMZBOCLSA-N 1 0 377.295 2.664 20 0 GFADRO CS(=O)(=O)CCN1CCC([NH2+][C@@H]2CCCOc3cc(Cl)ccc32)CC1 ZINC000367746778 563854000 /nfs/dbraw/zinc/85/40/00/563854000.db2.gz GCZFJZFBLQURKN-QGZVFWFLSA-N 1 0 386.945 2.652 20 0 GFADRO CS(=O)(=O)CCN1CCC([NH2+][C@H]2CCCOc3cc(Cl)ccc32)CC1 ZINC000367746777 563854291 /nfs/dbraw/zinc/85/42/91/563854291.db2.gz GCZFJZFBLQURKN-KRWDZBQOSA-N 1 0 386.945 2.652 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000367796948 563856299 /nfs/dbraw/zinc/85/62/99/563856299.db2.gz IJYMVGODKILFQB-SUMWQHHRSA-N 1 0 389.297 2.767 20 0 GFADRO CN(C(=O)[C@H]1CC(=O)Nc2ccc(Br)cc21)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000446038517 563857469 /nfs/dbraw/zinc/85/74/69/563857469.db2.gz HBEKQZCDYZWKHV-HIFRSBDPSA-N 1 0 392.297 2.570 20 0 GFADRO C[C@H](N[C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@@H]1C)c1ncc(Br)cn1 ZINC000367864214 563857947 /nfs/dbraw/zinc/85/79/47/563857947.db2.gz JTZJENGTVSXAPM-DARAHFNDSA-N 1 0 383.334 2.779 20 0 GFADRO C[NH+](C)CCOc1cccc(NC(=O)c2cc[nH]c(=O)c2Br)c1 ZINC000446096184 563858358 /nfs/dbraw/zinc/85/83/58/563858358.db2.gz UBLBNYWJALWBHM-UHFFFAOYSA-N 1 0 380.242 2.742 20 0 GFADRO C[C@H](NC(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1)c1cc(F)c(Cl)cc1Cl ZINC000416852944 563862286 /nfs/dbraw/zinc/86/22/86/563862286.db2.gz STUWLMFOIAMFFY-NWDGAFQWSA-N 1 0 389.302 2.883 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)c(C)c1C[N@@H+]1CC[C@@H](CC(N)=O)C1 ZINC000368131701 563864390 /nfs/dbraw/zinc/86/43/90/563864390.db2.gz BPIKWHNUXSGMJT-AWEZNQCLSA-N 1 0 391.313 2.949 20 0 GFADRO CC(C)[N@H+](C)CC(=O)NCc1ccc(Cl)cc1I ZINC000446498329 563865134 /nfs/dbraw/zinc/86/51/34/563865134.db2.gz KWVYQNNWVXYXGA-UHFFFAOYSA-N 1 0 380.657 2.901 20 0 GFADRO O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)c1cc(C(F)(F)F)cc(Cl)n1 ZINC000368152112 563865204 /nfs/dbraw/zinc/86/52/04/563865204.db2.gz MBUIYXLBBIUMGA-LBPRGKRZSA-N 1 0 377.794 2.737 20 0 GFADRO O=C(N[C@H]1CC12CC[NH2+]CC2)c1cc(=O)[nH]c2c(Br)cccc12 ZINC000368161725 563865233 /nfs/dbraw/zinc/86/52/33/563865233.db2.gz XKLLQTKBAGDTPN-ZDUSSCGKSA-N 1 0 376.254 2.575 20 0 GFADRO C[NH2+]CCC1CCN(C(=O)NCc2cc(OC)ccc2Br)CC1 ZINC000417132698 563868765 /nfs/dbraw/zinc/86/87/65/563868765.db2.gz AEVQMYPZSDUXEI-UHFFFAOYSA-N 1 0 384.318 2.989 20 0 GFADRO Cc1cc(C(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)nn1-c1ccc(Br)cc1 ZINC000368371058 563869522 /nfs/dbraw/zinc/86/95/22/563869522.db2.gz SRCYYNACYWNAQC-CZUORRHYSA-N 1 0 389.297 2.767 20 0 GFADRO C[C@H](NC(=O)N[C@@H]1CC[NH2+]C[C@H]1C)c1cc2c(cc1Br)OCCO2 ZINC000417173127 563870101 /nfs/dbraw/zinc/87/01/01/563870101.db2.gz GVNKQYHLDCPCPV-UHIISALHSA-N 1 0 398.301 2.579 20 0 GFADRO Cc1c(Br)scc1C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000368431889 563870717 /nfs/dbraw/zinc/87/07/17/563870717.db2.gz CELJHBNSOWETQX-LBPRGKRZSA-N 1 0 386.359 2.717 20 0 GFADRO C[C@H](NC(=O)N[C@H]1CC[NH2+][C@H](C)C1)c1cc2c(cc1Br)OCCO2 ZINC000417187602 563871861 /nfs/dbraw/zinc/87/18/61/563871861.db2.gz WMUKHVOJPBSBGY-WOPDTQHZSA-N 1 0 398.301 2.721 20 0 GFADRO CC[NH2+]CC1CCN(C(=O)NCCOc2cccc(Br)c2)CC1 ZINC000417206118 563873101 /nfs/dbraw/zinc/87/31/01/563873101.db2.gz JJNWKSRBFDLGGJ-UHFFFAOYSA-N 1 0 384.318 2.859 20 0 GFADRO O=C(NCC1(c2cccc(Br)c2)CCC1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000417219669 563873649 /nfs/dbraw/zinc/87/36/49/563873649.db2.gz WIQNHDZBUDCMPH-OKILXGFUSA-N 1 0 378.314 2.732 20 0 GFADRO [NH3+]C[C@H](NC(=O)NCCC(=O)Nc1ccc(Br)cc1)C1CCCC1 ZINC000417221745 563874209 /nfs/dbraw/zinc/87/42/09/563874209.db2.gz JNNNADBWONOLIX-HNNXBMFYSA-N 1 0 397.317 2.594 20 0 GFADRO CCCn1cc(C[NH2+][C@@H]2CCN(c3cccc(Br)c3)C2=O)cn1 ZINC000447098085 563874697 /nfs/dbraw/zinc/87/46/97/563874697.db2.gz NKVCTMLWHZIFTG-MRXNPFEDSA-N 1 0 377.286 2.951 20 0 GFADRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)c3ccn(-c4cccc(Br)c4)n3)C[C@H]21 ZINC000368615979 563875813 /nfs/dbraw/zinc/87/58/13/563875813.db2.gz VQXWOFNBEDWXSK-APHBMKBZSA-N 1 0 389.297 2.834 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)NCCc2c(Cl)cccc2Cl)CC12CCOCC2 ZINC000417279469 563876268 /nfs/dbraw/zinc/87/62/68/563876268.db2.gz ZXEVEAINHLAMEU-ZDUSSCGKSA-N 1 0 386.323 2.933 20 0 GFADRO COCC1(CNC(=O)N[C@@H](C)Cc2cccc(Br)c2)CC[NH2+]CC1 ZINC000417290773 563877361 /nfs/dbraw/zinc/87/73/61/563877361.db2.gz YTJSZJCTNIOSQN-AWEZNQCLSA-N 1 0 398.345 2.696 20 0 GFADRO [NH3+]C1(CNC(=O)NCc2cc(Br)c3c(c2)OCCO3)CCCCC1 ZINC000417299092 563877543 /nfs/dbraw/zinc/87/75/43/563877543.db2.gz MBRKBZOZCFEBSC-UHFFFAOYSA-N 1 0 398.301 2.681 20 0 GFADRO Cc1cc(NC(=O)C(=O)Nc2ccc(C[NH+](C)C)cc2)ncc1Br ZINC000447233920 563877895 /nfs/dbraw/zinc/87/78/95/563877895.db2.gz DUJVVNPOXLZXRI-UHFFFAOYSA-N 1 0 391.269 2.791 20 0 GFADRO COC[C@]1(CNC(=O)NCCCOc2ccc(Cl)cc2Cl)CCC[NH2+]1 ZINC000417336610 563878224 /nfs/dbraw/zinc/87/82/24/563878224.db2.gz VUVPHFQCMARABC-QGZVFWFLSA-N 1 0 390.311 2.830 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)N1CCCC[C@@H]1C[NH3+] ZINC000417360726 563878629 /nfs/dbraw/zinc/87/86/29/563878629.db2.gz BIIDRGYPKONOEN-CQSZACIVSA-N 1 0 397.317 2.609 20 0 GFADRO CCCC[C@H](C[NH3+])NC(=O)NCCC(=O)Nc1cc(Br)ccc1C ZINC000417368821 563878720 /nfs/dbraw/zinc/87/87/20/563878720.db2.gz PJLJBBFCTRIROT-CQSZACIVSA-N 1 0 399.333 2.903 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)N[C@@H](C)CCC[NH3+] ZINC000417365033 563878725 /nfs/dbraw/zinc/87/87/25/563878725.db2.gz IEZFVVACQMHBKM-LBPRGKRZSA-N 1 0 385.306 2.513 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000417361220 563878851 /nfs/dbraw/zinc/87/88/51/563878851.db2.gz BZTNMXJRIDPGAB-ZIAGYGMSSA-N 1 0 397.317 2.655 20 0 GFADRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)NCc1cc(Br)ccc1OC(F)F ZINC000417412008 563879605 /nfs/dbraw/zinc/87/96/05/563879605.db2.gz ULVDFOKWJNLBDJ-NXEZZACHSA-N 1 0 392.244 2.929 20 0 GFADRO CC(C)(CNC(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1)c1cccc(Br)c1 ZINC000417418298 563879843 /nfs/dbraw/zinc/87/98/43/563879843.db2.gz BBHHVLYPASQUOK-KGLIPLIRSA-N 1 0 380.330 2.978 20 0 GFADRO CCC[NH2+]CCNC(=O)NCC1(c2ccc(Br)cc2)CCOCC1 ZINC000417430551 563880241 /nfs/dbraw/zinc/88/02/41/563880241.db2.gz PHGBGZIHEZCCDN-UHFFFAOYSA-N 1 0 398.345 2.796 20 0 GFADRO C[C@@H]1CN(C2CC2)C[C@H]1[NH2+][C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000447576788 563883067 /nfs/dbraw/zinc/88/30/67/563883067.db2.gz CHQNMWNMHCQXRD-OAUYIBNBSA-N 1 0 378.314 2.627 20 0 GFADRO [NH3+]C[C@H]1CCN(C(=O)NC2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)C1 ZINC000417561330 563883368 /nfs/dbraw/zinc/88/33/68/563883368.db2.gz AWCOYPAFMCXZNW-CQSZACIVSA-N 1 0 385.339 2.948 20 0 GFADRO [NH3+][C@H](CNC(=O)NC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1)C1CC1 ZINC000417565657 563883486 /nfs/dbraw/zinc/88/34/86/563883486.db2.gz HEDUPFJCCKJCAC-QGZVFWFLSA-N 1 0 385.339 2.994 20 0 GFADRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)N[C@H]1CCN(c2ccccc2Br)C1 ZINC000417599437 563885362 /nfs/dbraw/zinc/88/53/62/563885362.db2.gz HYALUHCPNPZBTR-DZKIICNBSA-N 1 0 395.345 2.845 20 0 GFADRO CCOCC[NH+]1CCN(Cc2ccc(F)cc2I)CC1 ZINC000417692685 563887401 /nfs/dbraw/zinc/88/74/01/563887401.db2.gz APNUDWJQICFUFH-UHFFFAOYSA-N 1 0 392.256 2.584 20 0 GFADRO O=C(NCC1(c2ccccc2Br)CC1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000417740129 563887960 /nfs/dbraw/zinc/88/79/60/563887960.db2.gz ZCIZAIXFRBVKJM-UONOGXRCSA-N 1 0 378.314 2.732 20 0 GFADRO O=C(NCC1(c2ccccc2Br)CC1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000417737991 563888149 /nfs/dbraw/zinc/88/81/49/563888149.db2.gz WRBQAWHVKDTSOF-CJNGLKHVSA-N 1 0 378.314 2.874 20 0 GFADRO C[NH+](C)[C@]1(C(=O)Nc2cc(Br)c[nH]c2=O)CCc2ccccc21 ZINC000369171271 563888582 /nfs/dbraw/zinc/88/85/82/563888582.db2.gz HCAGSZGRIHUZBU-QGZVFWFLSA-N 1 0 376.254 2.892 20 0 GFADRO C[C@H](NC(=O)NCC1([NH3+])CCC1)c1nc(-c2ccc(Br)cc2)no1 ZINC000417881542 563890564 /nfs/dbraw/zinc/89/05/64/563890564.db2.gz DBBQYFXZACWTJI-JTQLQIEISA-N 1 0 394.273 2.741 20 0 GFADRO CC(C)[C@@H]([NH3+])CNC(=O)NC1CCN(Cc2ccc(Br)cc2)CC1 ZINC000417885136 563890861 /nfs/dbraw/zinc/89/08/61/563890861.db2.gz ISFXBLXNPHYYKG-KRWDZBQOSA-N 1 0 397.361 2.696 20 0 GFADRO C[C@H](Cc1ccc(F)c(Br)c1)NC(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000417901354 563891613 /nfs/dbraw/zinc/89/16/13/563891613.db2.gz NKBIXNAYKFCFEW-XBFCOCLRSA-N 1 0 384.293 2.770 20 0 GFADRO CC(C)(CNC(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1)c1ccccc1Br ZINC000417915056 563891711 /nfs/dbraw/zinc/89/17/11/563891711.db2.gz TXASJRVZBCYIBV-UONOGXRCSA-N 1 0 380.330 2.978 20 0 GFADRO C[C@@H](CC[NH+](C)C)NC(=O)[C@@H]1CCCN(c2ccc(Br)cn2)C1 ZINC000369310050 563891975 /nfs/dbraw/zinc/89/19/75/563891975.db2.gz KVFRBQAURZGFEX-UONOGXRCSA-N 1 0 383.334 2.517 20 0 GFADRO NC(=O)C1CCC([NH2+]Cc2ccc(F)cc2I)CC1 ZINC000417944313 563892225 /nfs/dbraw/zinc/89/22/25/563892225.db2.gz WDBNPKNAPSCFSI-UHFFFAOYSA-N 1 0 376.213 2.564 20 0 GFADRO OC[C@@H]([NH2+]Cc1ccc(Br)c(Br)c1)[C@H]1CCCO1 ZINC000447984152 563892446 /nfs/dbraw/zinc/89/24/46/563892446.db2.gz WPWDYRHXBMAFRS-CHWSQXEVSA-N 1 0 379.092 2.841 20 0 GFADRO O=C(N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000417976852 563893449 /nfs/dbraw/zinc/89/34/49/563893449.db2.gz BETBWPDBORHHBJ-PBFPGSCMSA-N 1 0 383.323 2.966 20 0 GFADRO CO[C@@H]1CCN(C(=O)NCCOCc2ccc(Cl)cc2Cl)[C@H](C[NH3+])C1 ZINC000417975723 563893679 /nfs/dbraw/zinc/89/36/79/563893679.db2.gz ANKBYMWKGINMKQ-LSDHHAIUSA-N 1 0 390.311 2.658 20 0 GFADRO COc1cc(Br)ccc1CCCNC(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000417998632 563894110 /nfs/dbraw/zinc/89/41/10/563894110.db2.gz HFUUMEWEJNOCPN-LSDHHAIUSA-N 1 0 396.329 2.641 20 0 GFADRO COc1cc(Br)ccc1CCCNC(=O)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000417996224 563894351 /nfs/dbraw/zinc/89/43/51/563894351.db2.gz DQUSEZSBIDRKKM-IUODEOHRSA-N 1 0 384.318 2.769 20 0 GFADRO COc1cc(Br)ccc1CCCNC(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000417998658 563894415 /nfs/dbraw/zinc/89/44/15/563894415.db2.gz HIXJOWZTJXNYHB-GDBMZVCRSA-N 1 0 396.329 2.784 20 0 GFADRO COc1cc(Br)ccc1CCCNC(=O)N[C@H]1CC[NH2+][C@@H](C)C1 ZINC000418013802 563895587 /nfs/dbraw/zinc/89/55/87/563895587.db2.gz ZSFRHLWFFKWODA-WFASDCNBSA-N 1 0 384.318 2.830 20 0 GFADRO CC[C@H]1CN(CC[NH2+]Cc2ccc(F)cc2I)CCO1 ZINC000418021801 563895590 /nfs/dbraw/zinc/89/55/90/563895590.db2.gz AGEGEPXQQMRYNH-AWEZNQCLSA-N 1 0 392.256 2.631 20 0 GFADRO [NH3+]C[C@@H]1CC[C@H](NC(=O)N[C@@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)C1 ZINC000418054702 563896789 /nfs/dbraw/zinc/89/67/89/563896789.db2.gz AAVYQHIFFVBUQV-SCDSUCTJSA-N 1 0 385.295 2.525 20 0 GFADRO [NH3+]C1CCC(NC(=O)N[C@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)CC1 ZINC000418055813 563897006 /nfs/dbraw/zinc/89/70/06/563897006.db2.gz BUABLWHZEVZZMU-YIZWMMSDSA-N 1 0 385.295 2.668 20 0 GFADRO O=C(NCCc1c[nH]c2cc(Cl)cc(Cl)c12)NC[C@H]1C[NH2+]CCCO1 ZINC000418065063 563897351 /nfs/dbraw/zinc/89/73/51/563897351.db2.gz KQDMFKBLEGBFQY-CYBMUJFWSA-N 1 0 385.295 2.695 20 0 GFADRO [NH3+][C@@H]1CCN(C(=O)N[C@H](Cc2ccccn2)c2ccc(Br)cc2)C1 ZINC000418070760 563897416 /nfs/dbraw/zinc/89/74/16/563897416.db2.gz UFLRPVWSHUHXCI-NVXWUHKLSA-N 1 0 389.297 2.871 20 0 GFADRO COCC1(C[NH2+]Cc2ccc(F)cc2I)CCOCC1 ZINC000418074448 563897747 /nfs/dbraw/zinc/89/77/47/563897747.db2.gz CWPACXOKZYPUJR-UHFFFAOYSA-N 1 0 393.240 2.963 20 0 GFADRO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000418081980 563898055 /nfs/dbraw/zinc/89/80/55/563898055.db2.gz PBLCYUZQVMAHQR-BPNCWPANSA-N 1 0 385.295 2.525 20 0 GFADRO CC(C)[C@H]([NH3+])CNC(=O)N[C@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O ZINC000418085330 563898192 /nfs/dbraw/zinc/89/81/92/563898192.db2.gz XRNQCNHAPSALKS-KGLIPLIRSA-N 1 0 387.311 2.771 20 0 GFADRO O=C(N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000418105440 563898907 /nfs/dbraw/zinc/89/89/07/563898907.db2.gz BAEUAZOOIGNJFP-LMOYCYGVSA-N 1 0 382.277 2.695 20 0 GFADRO C[C@H](NC(=O)NCCC[NH2+]Cc1cccnc1)c1ccc(Br)cn1 ZINC000418121156 563899616 /nfs/dbraw/zinc/89/96/16/563899616.db2.gz DCHXYNHSYUTTTE-ZDUSSCGKSA-N 1 0 392.301 2.779 20 0 GFADRO Cc1ccc(CC(=O)N2CCC(C[NH+]3CCOCC3)CC2)c(Br)c1 ZINC000448717117 563900622 /nfs/dbraw/zinc/90/06/22/563900622.db2.gz MTQCRPPLVBVNEY-UHFFFAOYSA-N 1 0 395.341 2.871 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)NCc2cnc(-c3ccc(Cl)cc3)s2)CCCO1 ZINC000418180770 563900807 /nfs/dbraw/zinc/90/08/07/563900807.db2.gz KSTZXCCTCKPZIN-AWEZNQCLSA-N 1 0 380.901 2.723 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[N@H+](C)[C@@H]1CCSC1 ZINC000449011240 563905229 /nfs/dbraw/zinc/90/52/29/563905229.db2.gz PPTGAGAEKVDQFD-SMDDNHRTSA-N 1 0 387.343 2.900 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[N@H+](C)CCOCC1CC1 ZINC000449036375 563905986 /nfs/dbraw/zinc/90/59/86/563905986.db2.gz JMGFTOZIOIUKII-ZDUSSCGKSA-N 1 0 399.329 2.821 20 0 GFADRO CC[C@H](CO)[NH+]1CCN(Cc2ccnc3c(Br)cccc23)CC1 ZINC000449037734 563906143 /nfs/dbraw/zinc/90/61/43/563906143.db2.gz OMCCFOWZCMWNIK-OAHLLOKOSA-N 1 0 378.314 2.886 20 0 GFADRO NC(=O)[C@@H]1CCC[N@H+](CCCN[C@@H]2CCc3c2ccc(F)c3Br)C1 ZINC000449136665 563907270 /nfs/dbraw/zinc/90/72/70/563907270.db2.gz VTOLOEMQKOQPJO-MLGOLLRUSA-N 1 0 398.320 2.753 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+][C@@H]1C[C@@H](OC)C1(C)C ZINC000449173218 563907654 /nfs/dbraw/zinc/90/76/54/563907654.db2.gz NMERRXIOXWIJPD-IUIKQTSFSA-N 1 0 399.329 2.866 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1CN[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000449173957 563907700 /nfs/dbraw/zinc/90/77/00/563907700.db2.gz OPMOMWONBMEUFE-DVOMOZLQSA-N 1 0 398.345 2.535 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+][C@H]1CC[C@H](CO)CC1 ZINC000449185177 563907951 /nfs/dbraw/zinc/90/79/51/563907951.db2.gz JBLAYMNHCMFCCI-XEZPLFJOSA-N 1 0 399.329 2.603 20 0 GFADRO C[C@@H]([NH2+]Cc1ccc(I)cc1)C(=O)NCc1ccco1 ZINC000449225959 563908349 /nfs/dbraw/zinc/90/83/49/563908349.db2.gz PNISUGRVGBHPCN-LLVKDONJSA-N 1 0 384.217 2.679 20 0 GFADRO COCCO[C@@H]1COCC[C@H]1[NH2+][C@@H]1CCc2c1ccc(F)c2Br ZINC000449256974 564177911 /nfs/dbraw/zinc/17/79/11/564177911.db2.gz KKTRRTUHZPKLFM-BZUAXINKSA-N 1 0 388.277 2.986 20 0 GFADRO COCCc1nc(C)c([C@H](C)[NH2+]Cc2ccc3c(c2)CCS3(=O)=O)s1 ZINC000537959253 564178244 /nfs/dbraw/zinc/17/82/44/564178244.db2.gz ZBHSXGKRWBDLMR-LBPRGKRZSA-N 1 0 380.535 2.821 20 0 GFADRO CC[NH+](CC)CC(=O)N1CCC(C(=O)Nc2cccc(Br)c2)CC1 ZINC000505211831 564178911 /nfs/dbraw/zinc/17/89/11/564178911.db2.gz UUPHLUNFSCWYQN-UHFFFAOYSA-N 1 0 396.329 2.968 20 0 GFADRO C[C@@H](C[NH2+]C1CCN(c2nccs2)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000449300720 564179708 /nfs/dbraw/zinc/17/97/08/564179708.db2.gz FDRDTAWIKZLZNW-AWEZNQCLSA-N 1 0 379.551 2.909 20 0 GFADRO O=C(Nc1ccc(C(=O)NCC[NH+]2CCC2)cc1)c1ccc(Br)o1 ZINC000505398957 564182123 /nfs/dbraw/zinc/18/21/23/564182123.db2.gz ATYDMRIRUIJCCQ-UHFFFAOYSA-N 1 0 392.253 2.730 20 0 GFADRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(I)cc2)[C@@H]1n1cccn1 ZINC000449345846 564182507 /nfs/dbraw/zinc/18/25/07/564182507.db2.gz XBXXEYWBPQJAGG-OAGGEKHMSA-N 1 0 397.260 2.996 20 0 GFADRO CC[C@@H](Cn1cncn1)[NH2+]CCC(=O)Nc1cc(Br)ccc1C ZINC000563262406 564183161 /nfs/dbraw/zinc/18/31/61/564183161.db2.gz YOXDBXNQZAVVOX-AWEZNQCLSA-N 1 0 380.290 2.746 20 0 GFADRO CC(=O)NCCN(Cc1ccc(Cl)cc1Cl)C(=O)C1CC[NH+](C)CC1 ZINC000505447798 564183837 /nfs/dbraw/zinc/18/38/37/564183837.db2.gz OHUVIPVPKWSZKQ-UHFFFAOYSA-N 1 0 386.323 2.800 20 0 GFADRO COCCSc1ccc([C@H](C)[NH2+]C[C@H]2CCCN(S(C)(=O)=O)C2)cc1 ZINC000538205431 564184290 /nfs/dbraw/zinc/18/42/90/564184290.db2.gz ZGEMMHYDJWEVTM-JKSUJKDBSA-N 1 0 386.583 2.747 20 0 GFADRO OCCCN1CCC[C@@H]([NH2+]Cc2cc(Br)c3c(c2)OCCCO3)C1 ZINC000449398070 564184634 /nfs/dbraw/zinc/18/46/34/564184634.db2.gz STNWRMPOAHNAFQ-OAHLLOKOSA-N 1 0 399.329 2.547 20 0 GFADRO CCS(=O)(=O)C[C@@H](C)[NH2+][C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1 ZINC000538218612 564185270 /nfs/dbraw/zinc/18/52/70/564185270.db2.gz XRQQEZSSVRCOON-CHWSQXEVSA-N 1 0 380.432 2.577 20 0 GFADRO C[N@@H+]1CCC[C@]2(CCN(C(=O)c3csc(I)c3)C2)C1 ZINC000505635854 564186534 /nfs/dbraw/zinc/18/65/34/564186534.db2.gz SLJPYZBKPJRTBI-AWEZNQCLSA-N 1 0 390.290 2.911 20 0 GFADRO COc1cc(Br)c(C[N@@H+]2C[C@H](O)C[C@@H]2[C@H]2CCCOC2)cc1O ZINC000449434224 564186903 /nfs/dbraw/zinc/18/69/03/564186903.db2.gz PYQZXBGPGUAAEF-NJZAAPMLSA-N 1 0 386.286 2.525 20 0 GFADRO O=C1NCC[C@@H]1CC[N@H+]1CCC[C@@H]1c1ccc(I)cc1 ZINC000563350519 564187777 /nfs/dbraw/zinc/18/77/77/564187777.db2.gz OXDSRFRYKHEBQI-UKRRQHHQSA-N 1 0 384.261 2.954 20 0 GFADRO CO[C@@H]1COCC[C@H]1C[NH2+]Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000449464811 564187982 /nfs/dbraw/zinc/18/79/82/564187982.db2.gz ZNRDUWZRSPSKTL-WMLDXEAASA-N 1 0 380.286 2.776 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)N1CCN(Cc2ccc(Cl)s2)CC1 ZINC000505697240 564188268 /nfs/dbraw/zinc/18/82/68/564188268.db2.gz FGKGBYNHBHRRTP-CVEARBPZSA-N 1 0 382.961 2.856 20 0 GFADRO COC(=O)[C@@H]1CCCC[C@@H]1[NH2+]Cc1cn(-c2ccccc2Br)nn1 ZINC000449512337 564189062 /nfs/dbraw/zinc/18/90/62/564189062.db2.gz PGFDUAIBBZIIFV-HIFRSBDPSA-N 1 0 393.285 2.851 20 0 GFADRO C[C@@H]1CN(CC2=Cc3cc(Br)ccc3OC2)C[C@H](C)[N@H+]1CCO ZINC000449531984 564190182 /nfs/dbraw/zinc/19/01/82/564190182.db2.gz HQHAWEJPTLNPGV-OKILXGFUSA-N 1 0 381.314 2.612 20 0 GFADRO CSCCCCNC(=O)C(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000505779506 564190159 /nfs/dbraw/zinc/19/01/59/564190159.db2.gz XIRAUXLHUOXFRN-GDBMZVCRSA-N 1 0 383.583 2.507 20 0 GFADRO CCN1C[C@H]([NH2+]Cc2cc(Br)cc(Br)c2N)CC1=O ZINC000449516088 564190211 /nfs/dbraw/zinc/19/02/11/564190211.db2.gz DMTWJQCWMIEDTF-SNVBAGLBSA-N 1 0 391.107 2.504 20 0 GFADRO CCN1C[C@H]([NH2+]Cc2c(C)nn(-c3ccc(Br)cc3)c2C)CC1=O ZINC000449517108 564190225 /nfs/dbraw/zinc/19/02/25/564190225.db2.gz IXWINWFGVYEKPI-OAHLLOKOSA-N 1 0 391.313 2.962 20 0 GFADRO C[C@@H]1CN(C(=O)c2cc(I)ccc2Cl)[C@H](C)C[NH2+]1 ZINC000505812152 564191056 /nfs/dbraw/zinc/19/10/56/564191056.db2.gz LLANBYKEFGXGNX-RKDXNWHRSA-N 1 0 378.641 2.767 20 0 GFADRO COC(=O)C1CC[NH+](CCCNC(=O)Nc2cccc(Br)c2)CC1 ZINC000505826942 564191454 /nfs/dbraw/zinc/19/14/54/564191454.db2.gz UWWNJOXGPUPDEL-UHFFFAOYSA-N 1 0 398.301 2.846 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C[N@@H+](CCO)[C@H]1CCO[C@@H]1C ZINC000449676563 564194077 /nfs/dbraw/zinc/19/40/77/564194077.db2.gz IBXZOMGXFXVULH-KDOFPFPSSA-N 1 0 394.313 2.915 20 0 GFADRO OCC[N@H+](Cc1ccc(I)cc1)C1CCSCC1 ZINC000449684710 564195959 /nfs/dbraw/zinc/19/59/59/564195959.db2.gz MAKDTYTWXSFQGO-UHFFFAOYSA-N 1 0 377.291 2.981 20 0 GFADRO C[C@H](NC(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ncc(Br)cn1 ZINC000563547143 564196472 /nfs/dbraw/zinc/19/64/72/564196472.db2.gz GTQBLWYFLVEWCE-ZFWWWQNUSA-N 1 0 389.297 2.938 20 0 GFADRO Cc1c(Br)cccc1C[C@@H](CO)C[NH2+]Cc1cnc(N(C)C)nc1 ZINC000449685803 564196741 /nfs/dbraw/zinc/19/67/41/564196741.db2.gz TYSBKXZPYSSYAQ-CQSZACIVSA-N 1 0 393.329 2.554 20 0 GFADRO COC1(C[NH2+]C[C@@H](CO)Cc2ccc(F)c(Br)c2)CCOCC1 ZINC000449686539 564196887 /nfs/dbraw/zinc/19/68/87/564196887.db2.gz XEYBXVGFFLUSMG-AWEZNQCLSA-N 1 0 390.293 2.524 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000449717153 564197822 /nfs/dbraw/zinc/19/78/22/564197822.db2.gz DKZKDHFTUTUILC-KFWWJZLASA-N 1 0 384.567 2.595 20 0 GFADRO Cc1ncsc1CN(C[C@H]1CC[NH2+]C1)C(=O)NC1CC(C(F)(F)F)C1 ZINC000563591224 564198187 /nfs/dbraw/zinc/19/81/87/564198187.db2.gz HCWOPTYIWBEAKU-HIFPTAJRSA-N 1 0 376.448 2.914 20 0 GFADRO Cc1ncsc1CN(C[C@@H]1CC[NH2+]C1)C(=O)NC1CC(C(F)(F)F)C1 ZINC000563591225 564198494 /nfs/dbraw/zinc/19/84/94/564198494.db2.gz HCWOPTYIWBEAKU-PNESKVBLSA-N 1 0 376.448 2.914 20 0 GFADRO C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000449723147 564198675 /nfs/dbraw/zinc/19/86/75/564198675.db2.gz QTEQDZBYTGLUKS-XCBNKYQSSA-N 1 0 386.201 2.508 20 0 GFADRO [NH3+]CC[C@H](NC(=O)C[C@@H]1Sc2ccc(Cl)cc2NC1=O)C(F)(F)F ZINC000449720138 564198843 /nfs/dbraw/zinc/19/88/43/564198843.db2.gz MMTRYSKJAHSSCG-QWRGUYRKSA-N 1 0 381.807 2.539 20 0 GFADRO O=C(NC[C@H]1C[NH2+]CCCO1)N1CCC[C@H]1c1cccc(Br)c1 ZINC000563609805 564199178 /nfs/dbraw/zinc/19/91/78/564199178.db2.gz SGGBHTCJPHATAS-CVEARBPZSA-N 1 0 382.302 2.674 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+][C@@H]1CC[C@H](C(N)=O)C1 ZINC000449744986 564199714 /nfs/dbraw/zinc/19/97/14/564199714.db2.gz KOPKIRGVDUODMS-SWLSCSKDSA-N 1 0 377.286 2.687 20 0 GFADRO C[N@H+](CCOc1ccc(S(N)(=O)=O)cc1F)Cc1ccc(Cl)s1 ZINC000449752327 564199734 /nfs/dbraw/zinc/19/97/34/564199734.db2.gz FEDYDCVRRYIYOC-UHFFFAOYSA-N 1 0 378.878 2.699 20 0 GFADRO COC(=O)CCCCCS(=O)(=O)N(C)C(C)(C)C[NH+]1CCCCCC1 ZINC000471628910 564200703 /nfs/dbraw/zinc/20/07/03/564200703.db2.gz NOWCECLNODJKIC-UHFFFAOYSA-N 1 0 376.563 2.636 20 0 GFADRO Cc1nn(C)c(CNc2ccc(C[NH+]3CCN(C)CC3)cc2)c1Br ZINC000563678537 564201906 /nfs/dbraw/zinc/20/19/06/564201906.db2.gz MGLGPWSRTQXAQV-UHFFFAOYSA-N 1 0 392.345 2.851 20 0 GFADRO CC[C@H]1CC[C@H](C)[N@@H+]1CC(=O)NCC(=O)Nc1ccccc1Br ZINC000538953225 564206965 /nfs/dbraw/zinc/20/69/65/564206965.db2.gz GIJYDIIYTGPSSY-STQMWFEESA-N 1 0 382.302 2.767 20 0 GFADRO O=S(=O)(NCC[NH2+]C1CCC2(CCCO2)CC1)c1ccc(F)cc1Cl ZINC000563862633 564209474 /nfs/dbraw/zinc/20/94/74/564209474.db2.gz IIWKXTXBEWLAEW-UHFFFAOYSA-N 1 0 390.908 2.839 20 0 GFADRO O=C(NCCc1c[nH]c2cccc(Br)c12)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000563875298 564210987 /nfs/dbraw/zinc/21/09/87/564210987.db2.gz JDUULBWFIGWROS-KGLIPLIRSA-N 1 0 391.313 2.724 20 0 GFADRO C[NH+]1CCC(O)(CNC(=O)c2ccc3scc(Br)c3c2)CC1 ZINC000449961122 564211016 /nfs/dbraw/zinc/21/10/16/564211016.db2.gz SVXLIJLCVDYFEP-UHFFFAOYSA-N 1 0 383.311 2.850 20 0 GFADRO CO[C@@H](c1ccc(Br)cc1)[C@H](C)NC(=O)NCC[N@H+](C)C1CC1 ZINC000539143883 564211310 /nfs/dbraw/zinc/21/13/10/564211310.db2.gz VEUQBSJALPIOFV-BLLLJJGKSA-N 1 0 384.318 2.919 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)[C@@H]1Cc2cc(Br)ccc2O1 ZINC000472095912 564213075 /nfs/dbraw/zinc/21/30/75/564213075.db2.gz RCWPELLCYSBYBB-PBHICJAKSA-N 1 0 379.298 2.886 20 0 GFADRO Cc1ccc(CC(=O)N(C)CC2CC[NH+](C[C@H](C)O)CC2)c(Br)c1 ZINC000450025136 564213487 /nfs/dbraw/zinc/21/34/87/564213487.db2.gz FYPKJKZMIXWHGF-HNNXBMFYSA-N 1 0 397.357 2.851 20 0 GFADRO CC(C)[N@@H+]1CC[C@@H](CNc2c(Br)cccc2S(C)(=O)=O)C1 ZINC000563985352 564215835 /nfs/dbraw/zinc/21/58/35/564215835.db2.gz CQTFEFXASKEOHE-LBPRGKRZSA-N 1 0 375.332 2.995 20 0 GFADRO C[C@H]1C[C@@H](NC(=O)c2cc(F)c(F)cc2I)CC[N@@H+]1C ZINC000472247140 564217461 /nfs/dbraw/zinc/21/74/61/564217461.db2.gz OKPYBAJOAAPUNA-IUCAKERBSA-N 1 0 394.203 2.782 20 0 GFADRO O=C(NCC1CC[NH+](CCO)CC1)c1cc(Cl)c(F)cc1Br ZINC000450169429 564219753 /nfs/dbraw/zinc/21/97/53/564219753.db2.gz SERPEMAUMABURX-UHFFFAOYSA-N 1 0 393.684 2.676 20 0 GFADRO CS[C@@H]1CN([C@H](C)C(=O)N(C)Cc2c(F)cccc2Cl)C[C@@H]1[NH+](C)C ZINC000539483809 564221286 /nfs/dbraw/zinc/22/12/86/564221286.db2.gz QISIXSUCRYHASA-OAUYIBNBSA-N 1 0 387.952 2.803 20 0 GFADRO O=C(COc1c(Cl)cc(Cl)cc1Cl)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000450235075 564223078 /nfs/dbraw/zinc/22/30/78/564223078.db2.gz WKOXCRYQXBFHJW-GFCCVEGCSA-N 1 0 395.714 2.989 20 0 GFADRO C[C@H](c1ccncc1)[NH+]1CCC(Nc2cnn(C)c(=O)c2Br)CC1 ZINC000564206250 564224854 /nfs/dbraw/zinc/22/48/54/564224854.db2.gz DISZTIZNMWLETJ-GFCCVEGCSA-N 1 0 392.301 2.575 20 0 GFADRO C[N@H+](CCNc1cc(Br)cnc1C(N)=O)Cc1ccc(F)cc1 ZINC000472503863 564225479 /nfs/dbraw/zinc/22/54/79/564225479.db2.gz QCQBIXMNDBZBKT-UHFFFAOYSA-N 1 0 381.249 2.626 20 0 GFADRO COC(=O)c1cc(C[NH2+]C(C)(C)COc2ncccc2Br)cn1C ZINC000564301646 564227504 /nfs/dbraw/zinc/22/75/04/564227504.db2.gz XQZGJZSHBCTJJU-UHFFFAOYSA-N 1 0 396.285 2.916 20 0 GFADRO O=C([C@H]1CCN(c2cc(Cl)ccc2Cl)C1=O)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000564288420 564227917 /nfs/dbraw/zinc/22/79/17/564227917.db2.gz UYLZYMVTEWTFBA-NORZTCDRSA-N 1 0 382.291 2.557 20 0 GFADRO O[C@H](C[NH2+]CCc1cnc2c(Cl)cnn2c1)COc1ccccc1Cl ZINC000564319960 564228561 /nfs/dbraw/zinc/22/85/61/564228561.db2.gz SDBYQOAZCVMUDJ-CYBMUJFWSA-N 1 0 381.263 2.608 20 0 GFADRO CCN1CCN(C(=O)C(=O)Nc2cc3sc(C)nc3cc2Cl)[C@@H](C)C1 ZINC000507477922 564229553 /nfs/dbraw/zinc/22/95/53/564229553.db2.gz LVGUXLQBXNBJIW-JTQLQIEISA-N 1 0 380.901 2.749 20 0 GFADRO COc1ccc(Br)c(C(=O)NCCC[NH2+][C@@H](C)[C@@H]2CCCOC2)c1 ZINC000507481132 564230072 /nfs/dbraw/zinc/23/00/72/564230072.db2.gz CICZIRBXVCQISD-UONOGXRCSA-N 1 0 399.329 2.982 20 0 GFADRO CS[C@@H]1CN(c2ccc(I)cn2)C[C@@H]1[NH+]1CCCC1 ZINC000450454273 564233577 /nfs/dbraw/zinc/23/35/77/564233577.db2.gz KWYWXKHMVJVUED-QWHCGFSZSA-N 1 0 389.306 2.702 20 0 GFADRO O=C1CC[C@@H](C[NH2+]C2(c3ccc(Br)cc3)CCOCC2)CCN1 ZINC000450515944 564236441 /nfs/dbraw/zinc/23/64/41/564236441.db2.gz JYCSHRHJFHFNEW-CQSZACIVSA-N 1 0 381.314 2.961 20 0 GFADRO C[C@@H]1[C@H](C)N(C(=O)c2ccc(-n3cc(Br)cn3)cc2)CC[N@H+]1C ZINC000540017668 564237051 /nfs/dbraw/zinc/23/70/51/564237051.db2.gz BZBZXJRTOVHXJB-OLZOCXBDSA-N 1 0 377.286 2.799 20 0 GFADRO C[C@H]1[C@H](C)[N@H+](C)CCN1Cc1csc(-c2ccc(S(C)(=O)=O)cc2)n1 ZINC000540052830 564238026 /nfs/dbraw/zinc/23/80/26/564238026.db2.gz KHDCVIVCXKNNAO-KBPBESRZSA-N 1 0 379.551 2.738 20 0 GFADRO CC[NH+](CC)CC(=O)N1CCN(CCOc2c(Cl)cccc2Cl)CC1 ZINC000507681422 564238517 /nfs/dbraw/zinc/23/85/17/564238517.db2.gz AYSIUZXQKWEUBK-UHFFFAOYSA-N 1 0 388.339 2.858 20 0 GFADRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)C(=O)Nc1ccc(F)cc1Br ZINC000507676739 564238582 /nfs/dbraw/zinc/23/85/82/564238582.db2.gz OMDSXDUGXUMFJY-WCQYABFASA-N 1 0 398.276 2.612 20 0 GFADRO CCC[N@H+](CC)CCNC(=O)NCc1cc2c(c(Br)c1)OCO2 ZINC000473040994 564239306 /nfs/dbraw/zinc/23/93/06/564239306.db2.gz HIUIININDBNEHY-UHFFFAOYSA-N 1 0 386.290 2.709 20 0 GFADRO CS[C@@H]1CN(C(=O)C[C@H]2CSc3ccccc3O2)C[C@H]1[NH+]1CCCC1 ZINC000450577603 564239614 /nfs/dbraw/zinc/23/96/14/564239614.db2.gz HECOKXOJWSAYRY-HDMKZQKVSA-N 1 0 378.563 2.968 20 0 GFADRO Cc1cc(Br)ccc1CN1C(=O)N[C@]2(CCCC[C@H]2C[NH3+])C1=O ZINC000564567550 564239600 /nfs/dbraw/zinc/23/96/00/564239600.db2.gz KYTBDIGNFFKQAG-GUYCJALGSA-N 1 0 380.286 2.697 20 0 GFADRO Brc1ccc(OCC[NH2+]C2CCN(c3cnccn3)CC2)cc1 ZINC000540174367 564240434 /nfs/dbraw/zinc/24/04/34/564240434.db2.gz SAAPNHJWMAGUNL-UHFFFAOYSA-N 1 0 377.286 2.877 20 0 GFADRO CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2sccc2C)c1 ZINC000540170473 564240644 /nfs/dbraw/zinc/24/06/44/564240644.db2.gz YTOKNFRSLXIRKC-STQMWFEESA-N 1 0 381.523 2.642 20 0 GFADRO COc1cc([C@H](C)[NH2+]CCS(=O)(=O)NC(C)(C)C)ccc1OC(F)F ZINC000540143754 564240945 /nfs/dbraw/zinc/24/09/45/564240945.db2.gz QXJSGOMGRHKXJK-NSHDSACASA-N 1 0 380.457 2.665 20 0 GFADRO CC[C@@H]([NH2+][C@H](C)C(=O)Nc1cccc(S(=O)(=O)NC)c1)c1cccs1 ZINC000540175595 564241167 /nfs/dbraw/zinc/24/11/67/564241167.db2.gz SSVOAXBZMPAUKV-IUODEOHRSA-N 1 0 381.523 2.724 20 0 GFADRO CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+][C@H](CO)CC(F)(F)F)cc1 ZINC000540154390 564241173 /nfs/dbraw/zinc/24/11/73/564241173.db2.gz YRPAEDAHXAYLAR-JSGCOSHPSA-N 1 0 382.448 2.681 20 0 GFADRO CNS(=O)(=O)c1cccc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2sccc2C)c1 ZINC000540170470 564241187 /nfs/dbraw/zinc/24/11/87/564241187.db2.gz YTOKNFRSLXIRKC-CHWSQXEVSA-N 1 0 381.523 2.642 20 0 GFADRO CC[N@@H+]1CC[C@@H](CNC(=O)c2cc(Br)cnc2OCC2CC2)C1 ZINC000507790938 564243655 /nfs/dbraw/zinc/24/36/55/564243655.db2.gz YLMPFYNMHBPHSJ-ZDUSSCGKSA-N 1 0 382.302 2.705 20 0 GFADRO CN1CCC[C@@H]([NH2+]C2CCN(Cc3ccccc3Br)CC2)C1=O ZINC000540315812 564244989 /nfs/dbraw/zinc/24/49/89/564244989.db2.gz NOGHTKLPWIZXAE-QGZVFWFLSA-N 1 0 380.330 2.624 20 0 GFADRO COc1ccc(Br)cc1C(=O)CCC(=O)N1CC[NH+]2CCC1CC2 ZINC000507856152 564245104 /nfs/dbraw/zinc/24/51/04/564245104.db2.gz SDBMCTZPBLRTKS-UHFFFAOYSA-N 1 0 395.297 2.727 20 0 GFADRO COc1ccc(CC[NH2+][C@@H](C)Cc2ccc(Cl)cc2)cc1S(N)(=O)=O ZINC000540315421 564245384 /nfs/dbraw/zinc/24/53/84/564245384.db2.gz FXQOKBFKPSPRKO-ZDUSSCGKSA-N 1 0 382.913 2.759 20 0 GFADRO C[C@]1(CNC(=O)c2ccc(-n3cc(Br)cn3)cc2)CCC[NH2+]C1 ZINC000564721749 564246062 /nfs/dbraw/zinc/24/60/62/564246062.db2.gz HGXXJAMFIOGFFO-KRWDZBQOSA-N 1 0 377.286 2.754 20 0 GFADRO CC(C)[N@@H+]1CCCC[C@@H]1CN1CCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000450753980 564246573 /nfs/dbraw/zinc/24/65/73/564246573.db2.gz CJWNVQVQRQMMOS-CYBMUJFWSA-N 1 0 377.480 2.942 20 0 GFADRO CC[NH+](CC)[C@H](C)CNC(=O)C[C@H](NC(C)=O)c1ccc(Br)cc1 ZINC000473538317 564249165 /nfs/dbraw/zinc/24/91/65/564249165.db2.gz AFDUQXAHBDUJNM-DYVFJYSZSA-N 1 0 398.345 2.863 20 0 GFADRO C[C@@H]([NH2+]C[C@@H]1CS(=O)(=O)CCO1)c1cc2cc(Br)ccc2o1 ZINC000540609412 564252306 /nfs/dbraw/zinc/25/23/06/564252306.db2.gz SEAKECSAWBUXLT-ZWNOBZJWSA-N 1 0 388.283 2.660 20 0 GFADRO C[C@@H]1CN(C[C@H](O)C[NH2+]Cc2cccc(Br)c2Cl)C[C@H](C)O1 ZINC000564855987 564252376 /nfs/dbraw/zinc/25/23/76/564252376.db2.gz JHOZEQCCFRYCCN-MBNYWOFBSA-N 1 0 391.737 2.662 20 0 GFADRO C[C@H](CNC(=O)NCC1=CC[N@H+](C)CC1)Oc1cccc(Br)c1 ZINC000540571256 564252389 /nfs/dbraw/zinc/25/23/89/564252389.db2.gz NHAQFTKBGJDDQG-CYBMUJFWSA-N 1 0 382.302 2.778 20 0 GFADRO O=C(CC[NH2+]CCc1cn2c(n1)SCC2)Nc1ccc(Br)cc1 ZINC000564874269 564253890 /nfs/dbraw/zinc/25/38/90/564253890.db2.gz XVEURZUUEZPEGK-UHFFFAOYSA-N 1 0 395.326 2.912 20 0 GFADRO CS[C@@H]1CN(C(=O)c2cc(C)n(-c3ccccc3Cl)n2)C[C@H]1[NH+](C)C ZINC000540688042 564254955 /nfs/dbraw/zinc/25/49/55/564254955.db2.gz NIJZEOBWBUAAFG-IAGOWNOFSA-N 1 0 378.929 2.952 20 0 GFADRO O=C1N=NC(C2CC[NH+](C[C@H](O)COc3c(Cl)cccc3Cl)CC2)O1 ZINC000450910560 564255211 /nfs/dbraw/zinc/25/52/11/564255211.db2.gz ASUKSYHFRFMLDH-NSHDSACASA-N 1 0 388.251 2.701 20 0 GFADRO O=C(c1ncc(Br)cc1Br)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000564933165 564258155 /nfs/dbraw/zinc/25/81/55/564258155.db2.gz BRNCSFXHNUTWFM-AOOOYVTPSA-N 1 0 389.091 2.573 20 0 GFADRO C[C@@]1(C[NH3+])CCN(C(=O)[C@H](c2ccc(Br)cc2)N2CCCC2)C1 ZINC000564949468 564259070 /nfs/dbraw/zinc/25/90/70/564259070.db2.gz MUMJOSVNNGWHOQ-WMZOPIPTSA-N 1 0 380.330 2.783 20 0 GFADRO Cc1cc(S(=O)(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)c(C)cc1Br ZINC000564967019 564259966 /nfs/dbraw/zinc/25/99/66/564259966.db2.gz QLFGPGJPUDVKEE-OLZOCXBDSA-N 1 0 375.332 2.862 20 0 GFADRO C[C@@H]1C[C@@H](C[NH3+])CN1S(=O)(=O)Cc1cc(Cl)ccc1Br ZINC000564968212 564260303 /nfs/dbraw/zinc/26/03/03/564260303.db2.gz ULPPTWKEBRREHO-ZJUUUORDSA-N 1 0 381.723 2.601 20 0 GFADRO CC[NH+](CC)[C@@H](CNS(=O)(=O)CCc1scnc1C)c1ccccc1 ZINC000450991475 564260817 /nfs/dbraw/zinc/26/08/17/564260817.db2.gz MNFQZBGBVGZDFA-KRWDZBQOSA-N 1 0 381.567 2.997 20 0 GFADRO OC[C@@H]([NH2+]C[C@@H](O)COCc1cccs1)c1ccc(C(F)(F)F)cc1 ZINC000541022784 564263430 /nfs/dbraw/zinc/26/34/30/564263430.db2.gz FUPDTTNULGAECX-GDBMZVCRSA-N 1 0 375.412 2.968 20 0 GFADRO COc1cc(C)c(Br)cc1S(=O)(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000474107347 564264773 /nfs/dbraw/zinc/26/47/73/564264773.db2.gz XXQCZRBKPPSMSD-VXGBXAGGSA-N 1 0 391.331 2.527 20 0 GFADRO O=S(=O)(C[C@@H]1CCCC1(F)F)NCC1([NH+]2CCSCC2)CCCC1 ZINC000451049733 564268186 /nfs/dbraw/zinc/26/81/86/564268186.db2.gz NZADDJPTLUZEGD-AWEZNQCLSA-N 1 0 382.542 2.703 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1cc(I)ccc1F ZINC000474227181 564270472 /nfs/dbraw/zinc/27/04/72/564270472.db2.gz DBOKIHGHCBYUEO-NEPJUHHUSA-N 1 0 388.224 2.787 20 0 GFADRO C[N@H+](CCNC(=O)NCCOc1ncc(Cl)cc1Cl)C1CCCC1 ZINC000474252389 564271598 /nfs/dbraw/zinc/27/15/98/564271598.db2.gz AYMSHGWJKFBMMI-UHFFFAOYSA-N 1 0 375.300 2.941 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)C[NH2+][C@H](C1CC1)[C@]1(CO)CCCO1 ZINC000565260408 564273098 /nfs/dbraw/zinc/27/30/98/564273098.db2.gz WFYQVGFGMXNPIC-QZTJIDSGSA-N 1 0 397.313 2.606 20 0 GFADRO C[C@@]1(C[C@H]2CCC[N@@H+]2Cc2cnc(-c3ccsc3)s2)NC(=O)NC1=O ZINC000565272452 564273773 /nfs/dbraw/zinc/27/37/73/564273773.db2.gz NWVSIKACSFYQMX-PXAZEXFGSA-N 1 0 376.507 2.824 20 0 GFADRO C[C@H]1CN(C(=O)CNC(=O)c2ccc(Cl)cc2Cl)CC[N@@H+](C2CC2)C1 ZINC000565285833 564273861 /nfs/dbraw/zinc/27/38/61/564273861.db2.gz DQXSJSUDINNRSB-GFCCVEGCSA-N 1 0 384.307 2.666 20 0 GFADRO CN(C)[C@H](C[NH2+]Cc1ccc(Br)cc1N1CCOCC1)C1CC1 ZINC000474366714 564275838 /nfs/dbraw/zinc/27/58/38/564275838.db2.gz CDRUGZCDFOUCBQ-GOSISDBHSA-N 1 0 382.346 2.716 20 0 GFADRO CN(Cc1ccccc1Br)C(=O)C[NH2+][C@@]1(C)CCO[C@H]1C1CC1 ZINC000541379347 564276774 /nfs/dbraw/zinc/27/67/74/564276774.db2.gz IMFWIFQTFIHMHZ-ROUUACIJSA-N 1 0 381.314 2.955 20 0 GFADRO COCCN(C)C[C@@H](O)C[NH2+][C@@H](c1ccc(Br)cc1)C1CCC1 ZINC000565370283 564277620 /nfs/dbraw/zinc/27/76/20/564277620.db2.gz PFRSRKXGSBAERB-ZWKOTPCHSA-N 1 0 385.346 2.819 20 0 GFADRO COCCN1CC[C@@H]([NH2+][C@@H]2CCCN(c3ccc(Cl)cc3Cl)C2=O)C1 ZINC000474426823 564278195 /nfs/dbraw/zinc/27/81/95/564278195.db2.gz LSHLDGFCWMZAJS-GDBMZVCRSA-N 1 0 386.323 2.799 20 0 GFADRO C[C@@H]1C[N@@H+](CCCNC(=O)c2cn3cc(Cl)cc(Cl)c3n2)C[C@H](C)O1 ZINC000509053353 564280141 /nfs/dbraw/zinc/28/01/41/564280141.db2.gz SWGIJTDUCOXCFO-TXEJJXNPSA-N 1 0 385.295 2.870 20 0 GFADRO CN(CC[N@H+](C)C1CC1)C(=O)c1c(F)cccc1I ZINC000474554510 564281607 /nfs/dbraw/zinc/28/16/07/564281607.db2.gz GOLNYQSKOPTGQJ-UHFFFAOYSA-N 1 0 376.213 2.597 20 0 GFADRO COC(=O)C[C@@H]1CC[C@@H]([NH2+]CCNC(=O)c2ccc(Br)cc2)[C@H]1C ZINC000474626322 564283243 /nfs/dbraw/zinc/28/32/43/564283243.db2.gz DTLPWGLTBZAWNM-DUVNUKRYSA-N 1 0 397.313 2.746 20 0 GFADRO CCC[C@@H]([NH2+]C(C)C)C(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000509186620 564285296 /nfs/dbraw/zinc/28/52/96/564285296.db2.gz SBAMDOUDJDKAEA-HZPDHXFCSA-N 1 0 396.329 2.837 20 0 GFADRO COc1cc(C(F)(F)F)cc(S(=O)(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)c1 ZINC000451194062 564285659 /nfs/dbraw/zinc/28/56/59/564285659.db2.gz RHYFXESAHQOEDD-WCQYABFASA-N 1 0 378.416 2.571 20 0 GFADRO C[C@@H]([NH2+]CC1(O)CCOCC1)c1nc(-c2ccc(Br)cc2)no1 ZINC000541691243 564286089 /nfs/dbraw/zinc/28/60/89/564286089.db2.gz SIMUANACXCKQJT-LLVKDONJSA-N 1 0 382.258 2.691 20 0 GFADRO Cc1ccc(CC(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)c(Br)c1 ZINC000451200449 564286501 /nfs/dbraw/zinc/28/65/01/564286501.db2.gz SSBOUOMNZYSKCG-HNNXBMFYSA-N 1 0 383.330 2.917 20 0 GFADRO CO[C@](C)([C@H](C)[NH2+]Cc1cc(=O)n2cc(Br)ccc2n1)C1CC1 ZINC000565585137 564287441 /nfs/dbraw/zinc/28/74/41/564287441.db2.gz MKAGMMCUKSNMHG-APPDUMDISA-N 1 0 380.286 2.750 20 0 GFADRO O=S(=O)(NCC1CC[NH+](CCO)CC1)c1sc2ccccc2c1Cl ZINC000451225675 564288464 /nfs/dbraw/zinc/28/84/64/564288464.db2.gz HAHXKURKKWUFGA-UHFFFAOYSA-N 1 0 388.942 2.537 20 0 GFADRO Fc1ccc(I)c(F)c1C[NH2+]CCCO[C@@H]1CCOC1 ZINC000474819838 564289998 /nfs/dbraw/zinc/28/99/98/564289998.db2.gz XGZDQFJWYMOMOR-SNVBAGLBSA-N 1 0 397.203 2.855 20 0 GFADRO C[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+]CCS(=O)(=O)NC[C@H]1CCCCO1 ZINC000474804532 564290433 /nfs/dbraw/zinc/29/04/33/564290433.db2.gz ACKNZERYCNLHRR-RLFYNMQTSA-N 1 0 388.961 2.910 20 0 GFADRO COc1ccc(C(=O)NC(C)(C)CC[NH+]2CCN(C)CC2)cc1Br ZINC000474807183 564290554 /nfs/dbraw/zinc/29/05/54/564290554.db2.gz CIIKGOXVDJXYTF-UHFFFAOYSA-N 1 0 398.345 2.604 20 0 GFADRO CC[C@@H](C)[N@H+](C)CCNC(=O)c1cc(I)ccc1F ZINC000474859786 564290841 /nfs/dbraw/zinc/29/08/41/564290841.db2.gz NDINTEUZINDONX-SNVBAGLBSA-N 1 0 378.229 2.890 20 0 GFADRO Fc1ccc(I)c(F)c1C[NH2+]CCN1CCSCC1 ZINC000474885327 564291929 /nfs/dbraw/zinc/29/19/29/564291929.db2.gz HVXONQIGXVHMDG-UHFFFAOYSA-N 1 0 398.260 2.708 20 0 GFADRO O=C(NCC[NH2+][C@H]1CCc2c1cc(Br)cc2Cl)c1ccn[nH]1 ZINC000541882050 564293836 /nfs/dbraw/zinc/29/38/36/564293836.db2.gz KYCCSAMTJKDKPZ-ZDUSSCGKSA-N 1 0 383.677 2.833 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)c2cc(I)ccc2F)C[N@@H+]1C1CC1 ZINC000474964898 564295623 /nfs/dbraw/zinc/29/56/23/564295623.db2.gz YQXSUSGGKOZKOD-KOLCDFICSA-N 1 0 388.224 2.785 20 0 GFADRO Cc1ccccc1OC[C@@H](O)C[NH2+][C@H](CO)c1ccc(Br)cc1 ZINC000541980441 564297236 /nfs/dbraw/zinc/29/72/36/564297236.db2.gz BWENEVNPSMLGDD-DLBZAZTESA-N 1 0 380.282 2.820 20 0 GFADRO NC(=O)[C@H]1CC[C@H](C[NH2+]C[C@@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000565828609 564297834 /nfs/dbraw/zinc/29/78/34/564297834.db2.gz BKEHKPPHAQFBNE-YRGRVCCFSA-N 1 0 375.296 2.614 20 0 GFADRO Cc1c[nH+]ccc1N1CCC(C(=O)Nc2ccncc2Br)CC1 ZINC000541997121 564298775 /nfs/dbraw/zinc/29/87/75/564298775.db2.gz UGYCWHPHEPZDKZ-UHFFFAOYSA-N 1 0 375.270 2.825 20 0 GFADRO C[C@@H]1C[N@H+](C)[C@H](C)CN1C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000509446863 564299238 /nfs/dbraw/zinc/29/92/38/564299238.db2.gz AVFVRYHFAFQYIZ-YRGRVCCFSA-N 1 0 391.737 2.867 20 0 GFADRO CC(C)[C@H](CCO)[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000475138387 564300473 /nfs/dbraw/zinc/30/04/73/564300473.db2.gz MBRWBRPWJRJSSK-OCCSQVGLSA-N 1 0 380.710 2.839 20 0 GFADRO COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000509461856 564300657 /nfs/dbraw/zinc/30/06/57/564300657.db2.gz FNQAGTQUMSDEIE-ONGXEEELSA-N 1 0 395.308 2.541 20 0 GFADRO CNc1cc(I)ccc1C(=O)NC[C@H](C)[NH+]1CCCC1 ZINC000565937623 564302498 /nfs/dbraw/zinc/30/24/98/564302498.db2.gz GTWJXQVANQOVLP-NSHDSACASA-N 1 0 387.265 2.547 20 0 GFADRO COc1cccc(C[C@H](C)[NH2+]C[C@H](O)COc2ccccc2Br)n1 ZINC000542161595 564303439 /nfs/dbraw/zinc/30/34/39/564303439.db2.gz VVPPIGCGTAGHJD-ZFWWWQNUSA-N 1 0 395.297 2.813 20 0 GFADRO CC(C)[C@H]([NH2+]Cc1cc(Cl)cs1)C(=O)N(C)Cc1nnc2n1CCC2 ZINC000475331980 564305405 /nfs/dbraw/zinc/30/54/05/564305405.db2.gz LXNDUGQFXSJRGM-INIZCTEOSA-N 1 0 381.933 2.712 20 0 GFADRO CCC[N@H+](C)[C@@H](CNS(=O)(=O)c1cn(CC)cn1)c1ccc(Cl)cc1 ZINC000509619930 564305733 /nfs/dbraw/zinc/30/57/33/564305733.db2.gz HDUJLRPHHIXDGX-INIZCTEOSA-N 1 0 384.933 2.918 20 0 GFADRO Cc1cc(C(C)(C)NC(=O)NC[C@H]2C[NH2+]CCCO2)ccc1Br ZINC000566000010 564305938 /nfs/dbraw/zinc/30/59/38/564305938.db2.gz BHPRVCNDZQGSJO-CQSZACIVSA-N 1 0 384.318 2.670 20 0 GFADRO O[C@@H]1CC[C@H]2C[N@H+](CCCOc3cccc(I)c3)C[C@H]12 ZINC000542245714 564306901 /nfs/dbraw/zinc/30/69/01/564306901.db2.gz PXFQRLJYMATAKF-VBNZEHGJSA-N 1 0 387.261 2.763 20 0 GFADRO COC(=O)[C@@H]1CC[N@H+](C[C@@H](O)COc2cc(Cl)ccc2Cl)C[C@H]1C ZINC000475386674 564306912 /nfs/dbraw/zinc/30/69/12/564306912.db2.gz FGKRYYQNTJWYHT-MRVWCRGKSA-N 1 0 376.280 2.864 20 0 GFADRO CC(=O)N1CCC[C@H](C[NH2+]Cc2cnn(-c3ccc(Br)cc3)c2)C1 ZINC000475429279 564307378 /nfs/dbraw/zinc/30/73/78/564307378.db2.gz MJAPDCKEQBVBCB-OAHLLOKOSA-N 1 0 391.313 2.983 20 0 GFADRO O[C@H](COc1ccc(Cl)cc1Br)C[N@@H+]1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000542251581 564307797 /nfs/dbraw/zinc/30/77/97/564307797.db2.gz FPUILTQRVMXQKQ-DNVSUFBTSA-N 1 0 390.705 2.545 20 0 GFADRO O=S1(=O)CCCC[C@H]1C[NH2+]Cc1cc(Cl)ccc1OC[C@@H]1CCCO1 ZINC000542312150 564309506 /nfs/dbraw/zinc/30/95/06/564309506.db2.gz WDYJHUDXPCPBQW-IRXDYDNUSA-N 1 0 387.929 2.955 20 0 GFADRO [NH3+][C@@H]1CCc2ncc(NC(=O)[C@@H]3COc4ccc(Br)cc43)cc2C1 ZINC000566100789 564309673 /nfs/dbraw/zinc/30/96/73/564309673.db2.gz SBNNRSYRQLDDOP-IUODEOHRSA-N 1 0 388.265 2.775 20 0 GFADRO Cc1nc2ccc(Br)cn2c1C(=O)NCCC1CC[NH+](C)CC1 ZINC000475466023 564309715 /nfs/dbraw/zinc/30/97/15/564309715.db2.gz CUOFKPLDIZZTBY-UHFFFAOYSA-N 1 0 379.302 2.867 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S(=O)(=O)CC[NH2+][C@H]1CC[C@H](C)CC1 ZINC000566115580 564310213 /nfs/dbraw/zinc/31/02/13/564310213.db2.gz FLQJEKLTUUJUHT-WKILWMFISA-N 1 0 387.567 2.812 20 0 GFADRO COCCOC[C@@H](O)C[NH2+]C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000566117960 564310458 /nfs/dbraw/zinc/31/04/58/564310458.db2.gz VNIOKBAHLPNNBZ-INIZCTEOSA-N 1 0 391.339 2.571 20 0 GFADRO CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+]C[C@H](O)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000566117814 564310467 /nfs/dbraw/zinc/31/04/67/564310467.db2.gz QFODABWPYKOBCB-ARFHVFGLSA-N 1 0 379.444 2.554 20 0 GFADRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)C(=O)Nc1cc(Br)ccc1F ZINC000509738830 564311055 /nfs/dbraw/zinc/31/10/55/564311055.db2.gz RPPLPOQGXFKKNR-IAQYHMDHSA-N 1 0 398.276 2.612 20 0 GFADRO C[S@](=O)Cc1ccc(C[NH2+]C[C@H](O)COCc2ccc(Cl)cc2)cc1 ZINC000566129465 564311406 /nfs/dbraw/zinc/31/14/06/564311406.db2.gz DRAFIUKUZIOKDB-DFBJGRDBSA-N 1 0 381.925 2.886 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)[C@H]1C ZINC000509742821 564311806 /nfs/dbraw/zinc/31/18/06/564311806.db2.gz MOYSWRHYGGDLAQ-CZUORRHYSA-N 1 0 394.313 2.781 20 0 GFADRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)C(=O)Nc1ccc(F)c(Br)c1 ZINC000509759239 564311814 /nfs/dbraw/zinc/31/18/14/564311814.db2.gz OGBFABVQJKLUSH-NHYWBVRUSA-N 1 0 398.276 2.612 20 0 GFADRO C[NH+](C)CCOCCNC(=O)CSCc1ccc(Br)cc1F ZINC000542457247 564312972 /nfs/dbraw/zinc/31/29/72/564312972.db2.gz CUEQULOLGKDYDC-UHFFFAOYSA-N 1 0 393.322 2.516 20 0 GFADRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NS(=O)(=O)c1ccc(Cl)cc1Br ZINC000542466103 564314089 /nfs/dbraw/zinc/31/40/89/564314089.db2.gz GTVMITZTYXIIQQ-TVQRCGJNSA-N 1 0 393.734 2.864 20 0 GFADRO COC[C@@]1(CNC(=O)c2cc(C)nc3ccc(Br)cc32)CCC[NH2+]1 ZINC000566204804 564316003 /nfs/dbraw/zinc/31/60/03/564316003.db2.gz GUPSZTQBQURAQS-SFHVURJKSA-N 1 0 392.297 2.804 20 0 GFADRO C[C@H](C[C@H](C)[NH3+])NC(=O)N[C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O ZINC000566194105 564316445 /nfs/dbraw/zinc/31/64/45/564316445.db2.gz QTUZBAAYPMZAEC-MISXGVKJSA-N 1 0 387.311 2.914 20 0 GFADRO O=S(=O)(c1ccc(F)c(C(F)(F)F)c1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000566224071 564316954 /nfs/dbraw/zinc/31/69/54/564316954.db2.gz GEQCXZYYRAOSMR-LBPRGKRZSA-N 1 0 380.407 2.855 20 0 GFADRO CN1CCO[C@H](CSCC(=O)Nc2ccc(Br)cc2F)C1 ZINC000566214788 564317112 /nfs/dbraw/zinc/31/71/12/564317112.db2.gz USXXFQYAMFNHAS-NSHDSACASA-N 1 0 377.279 2.591 20 0 GFADRO CN(C1CC([NH3+])C1)S(=O)(=O)c1cc(Br)c(Cl)cc1Cl ZINC000566224168 564317456 /nfs/dbraw/zinc/31/74/56/564317456.db2.gz GPZFBQRMXKSJBG-UHFFFAOYSA-N 1 0 388.114 2.866 20 0 GFADRO [NH3+]CC[C@@H]1CCCCN1C(=O)c1cc(=O)c2cc(Br)ccc2[nH]1 ZINC000566250762 564319376 /nfs/dbraw/zinc/31/93/76/564319376.db2.gz LPEWWAXQXRQTGH-LBPRGKRZSA-N 1 0 378.270 2.634 20 0 GFADRO CO[C@@H]1CC[N@H+](CC(=O)N(C)Cc2cc(Br)cs2)C[C@@H]1C ZINC000451539091 564323840 /nfs/dbraw/zinc/32/38/40/564323840.db2.gz FBEMGQAGVAAXHV-SMDDNHRTSA-N 1 0 375.332 2.826 20 0 GFADRO O=S1(=O)CCO[C@H](C[NH2+][C@@H]2CCC[C@H]2c2cccc(C(F)(F)F)c2)C1 ZINC000566351969 564324465 /nfs/dbraw/zinc/32/44/65/564324465.db2.gz NULQGCVUUFJDDJ-OWCLPIDISA-N 1 0 377.428 2.745 20 0 GFADRO COCC[NH2+]C1CCN(S(=O)(=O)c2cc3cc(Cl)ccc3s2)CC1 ZINC000566355637 564324476 /nfs/dbraw/zinc/32/44/76/564324476.db2.gz GCJYCKOVRXCMHY-UHFFFAOYSA-N 1 0 388.942 2.944 20 0 GFADRO C[N@H+](C[C@@H](O)COc1ccc(Cl)cc1Br)[C@H]1CCCOC1 ZINC000510102609 564325508 /nfs/dbraw/zinc/32/55/08/564325508.db2.gz TTWUNHCKXSYROH-QWHCGFSZSA-N 1 0 378.694 2.953 20 0 GFADRO COCCN(C)C[C@@H](O)C[NH2+][C@H]1c2cc(Br)ccc2CC1(C)C ZINC000566425810 564326843 /nfs/dbraw/zinc/32/68/43/564326843.db2.gz YWWOHRHTTBTIGE-RDJZCZTQSA-N 1 0 385.346 2.601 20 0 GFADRO O[C@H](COC1CCOCC1)C[N@@H+]1CC[C@H](c2cccc(Br)c2)C1 ZINC000451569923 564326870 /nfs/dbraw/zinc/32/68/70/564326870.db2.gz PBEABYISXFBPBS-RDJZCZTQSA-N 1 0 384.314 2.795 20 0 GFADRO O=S1(=O)CCc2cc(C[NH2+]C3CCN(CCC(F)(F)F)CC3)ccc21 ZINC000542811934 564328075 /nfs/dbraw/zinc/32/80/75/564328075.db2.gz XRQHMWBEYSCHEJ-UHFFFAOYSA-N 1 0 376.444 2.523 20 0 GFADRO CC(=O)N1CC([NH2+][C@@H](C)CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)C1 ZINC000566476277 564328430 /nfs/dbraw/zinc/32/84/30/564328430.db2.gz WLOVGVODKUNZOP-VIFPVBQESA-N 1 0 377.794 2.896 20 0 GFADRO O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)c1cn2ccc(Br)cc2n1 ZINC000510303806 564330168 /nfs/dbraw/zinc/33/01/68/564330168.db2.gz MLDSDNTWGCYNLJ-ZDUSSCGKSA-N 1 0 377.286 2.844 20 0 GFADRO Cc1cc(Br)ccc1SCC(=O)NCCOCC[NH+](C)C ZINC000476238067 564331449 /nfs/dbraw/zinc/33/14/49/564331449.db2.gz YQTOIDQOWOENBA-UHFFFAOYSA-N 1 0 375.332 2.544 20 0 GFADRO O=C(c1ccc(Cl)c(Br)c1)N1CC[C@@H](CN2CCOCC2)C1 ZINC000510440900 564332849 /nfs/dbraw/zinc/33/28/49/564332849.db2.gz FSNJLXOKMLJUEP-LBPRGKRZSA-N 1 0 387.705 2.897 20 0 GFADRO Cc1cc(N2CCC[C@H]([N@@H+]3C[C@H]4CCN(C)[C@H]4C3)C2=O)ccc1Br ZINC000451625103 564333041 /nfs/dbraw/zinc/33/30/41/564333041.db2.gz PCUHQOMHFXPJLB-JLSDUUJJSA-N 1 0 392.341 2.889 20 0 GFADRO Cc1cc(COc2ccc(C(=O)NCCCC[NH3+])cc2Br)on1 ZINC000510469167 564334817 /nfs/dbraw/zinc/33/48/17/564334817.db2.gz CKICLZRJXXHVPV-UHFFFAOYSA-N 1 0 382.258 2.793 20 0 GFADRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1S(=O)(=O)c1ccc(F)c(Br)c1 ZINC000510487156 564335783 /nfs/dbraw/zinc/33/57/83/564335783.db2.gz FIHRWMUTGVBKKK-VXGBXAGGSA-N 1 0 391.306 2.836 20 0 GFADRO CC(C)C[C@@H](C[NH+]1CCCC1)NS(=O)(=O)c1cnccc1C(F)(F)F ZINC000451655540 564335763 /nfs/dbraw/zinc/33/57/63/564335763.db2.gz YKUXISZMCRNBSN-ZDUSSCGKSA-N 1 0 379.448 2.889 20 0 GFADRO C[C@@H]1Cc2cc(S(=O)(=O)N3C[C@H]([NH+]4CCCC4)C[C@H]3C)cc(Cl)c2O1 ZINC000510537737 564337324 /nfs/dbraw/zinc/33/73/24/564337324.db2.gz JMTSGWINLVSVEX-UMVBOHGHSA-N 1 0 384.929 2.911 20 0 GFADRO Cc1ccccc1[C@@H]([C@H](C)NC(=O)Cn1cc(Br)cn1)[NH+](C)C ZINC000510527372 564337408 /nfs/dbraw/zinc/33/74/08/564337408.db2.gz XIBQVDGNCXETCX-SUMWQHHRSA-N 1 0 379.302 2.762 20 0 GFADRO O=C(NCC[NH+]1CCCCC1)N[C@@H]1CCN(c2ccccc2Br)C1 ZINC000476457695 564340101 /nfs/dbraw/zinc/34/01/01/564340101.db2.gz KYJXQMGOIOHUJN-OAHLLOKOSA-N 1 0 395.345 2.813 20 0 GFADRO Cc1cc(C(=O)N[C@H]2C[NH2+]CCC2(F)F)nn1-c1ccc(Br)cc1 ZINC000566738516 564341199 /nfs/dbraw/zinc/34/11/99/564341199.db2.gz WMHZNGIAHYRPAH-AWEZNQCLSA-N 1 0 399.239 2.670 20 0 GFADRO CCC[N@H+](CC)C[C@@H](C)NC(=O)c1ccc(Cl)c(NS(C)(=O)=O)c1 ZINC000566771274 564342478 /nfs/dbraw/zinc/34/24/78/564342478.db2.gz YDEGNTAUXWPIMO-GFCCVEGCSA-N 1 0 375.922 2.562 20 0 GFADRO C[C@@H](CCc1c(F)cccc1F)[NH2+]C[C@@H](O)CS(=O)(=O)c1cccs1 ZINC000510682779 564343726 /nfs/dbraw/zinc/34/37/26/564343726.db2.gz NHJNHMWGOXUXMX-QWHCGFSZSA-N 1 0 389.489 2.772 20 0 GFADRO Cc1cc(OCCC[C@@H](C)[NH2+]C[C@@H]2CS(=O)(=O)CCO2)ccc1Cl ZINC000510745995 564345571 /nfs/dbraw/zinc/34/55/71/564345571.db2.gz BKENGQKZLPLRJY-GDBMZVCRSA-N 1 0 375.918 2.599 20 0 GFADRO Cn1cc(CC[N@H+](CCn2ccnc2)Cc2ccc(Br)o2)cn1 ZINC000510872684 564348447 /nfs/dbraw/zinc/34/84/47/564348447.db2.gz AJEUHJCXSGZEIQ-UHFFFAOYSA-N 1 0 378.274 2.717 20 0 GFADRO CCOC(=O)[C@@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1ccc(Br)cc1F ZINC000451770308 564349748 /nfs/dbraw/zinc/34/97/48/564349748.db2.gz DAKGWFLWSZXAQD-YPMHNXCESA-N 1 0 387.249 2.848 20 0 GFADRO OCC[N@H+](C[C@H](O)COc1ccc(Cl)cc1Br)CC1CC1 ZINC000510933461 564350979 /nfs/dbraw/zinc/35/09/79/564350979.db2.gz DHLBXAOKIINOQN-ZDUSSCGKSA-N 1 0 378.694 2.547 20 0 GFADRO C[C@@H]([NH2+]CCNS(=O)(=O)c1ccc(F)cc1Cl)c1cccc(CO)c1 ZINC000510945400 564351153 /nfs/dbraw/zinc/35/11/53/564351153.db2.gz BUJCUEVMAGDRCA-GFCCVEGCSA-N 1 0 386.876 2.601 20 0 GFADRO CC[NH2+]CCCNC(=O)NCc1ccc(I)cc1Cl ZINC000566963012 564351584 /nfs/dbraw/zinc/35/15/84/564351584.db2.gz WZJFNLVAFDVODY-UHFFFAOYSA-N 1 0 395.672 2.743 20 0 GFADRO CC(C)C[C@H]([NH2+]CC(=O)Nc1cccc(S(N)(=O)=O)c1)c1cccs1 ZINC000543485634 564352594 /nfs/dbraw/zinc/35/25/94/564352594.db2.gz FZNACNUIDFHQJO-HNNXBMFYSA-N 1 0 381.523 2.711 20 0 GFADRO C[C@H](c1cccc(Br)c1)N1CCC[C@H](S(=O)(=O)N(C)C)C1 ZINC000511112391 564357778 /nfs/dbraw/zinc/35/77/78/564357778.db2.gz ZIAPABMKPGFLJN-DOMZBBRYSA-N 1 0 375.332 2.866 20 0 GFADRO CN(C[C@H]1CCC[N@H+](CCOc2ccc(Cl)cc2Cl)C1)S(C)(=O)=O ZINC000511142417 564359608 /nfs/dbraw/zinc/35/96/08/564359608.db2.gz OGIFTDXEGPASIX-CYBMUJFWSA-N 1 0 395.352 2.976 20 0 GFADRO CC[NH+](CC)CCOCCNS(=O)(=O)c1cc(Cl)sc1Cl ZINC000543685717 564360089 /nfs/dbraw/zinc/36/00/89/564360089.db2.gz LTBCSGIHZSWJDV-UHFFFAOYSA-N 1 0 375.343 2.692 20 0 GFADRO O=C(Nc1ccc(Br)cc1)C1CC[NH+](CC[C@@H]2CCNC2=O)CC1 ZINC000567176368 564360921 /nfs/dbraw/zinc/36/09/21/564360921.db2.gz CHHZBFGVBQPPBJ-ZDUSSCGKSA-N 1 0 394.313 2.626 20 0 GFADRO CCN1CC[C@H](NC(=O)C[C@H]2CSCC[NH2+]2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000567232080 564362802 /nfs/dbraw/zinc/36/28/02/564362802.db2.gz ANBHWNJBNIYZGV-OWQGQXMQSA-N 1 0 385.936 2.826 20 0 GFADRO C[NH+]1CCN(c2cccc(C(=O)N3CCc4sc(Cl)cc4C3)n2)CC1 ZINC000567273787 564364211 /nfs/dbraw/zinc/36/42/11/564364211.db2.gz AKDSAWDSUMUCNX-UHFFFAOYSA-N 1 0 376.913 2.747 20 0 GFADRO OC[C@@H]([NH2+]C[C@H](O)COc1ccc(Br)cc1)c1cccc(F)c1 ZINC000543810150 564364640 /nfs/dbraw/zinc/36/46/40/564364640.db2.gz MIIMWVJEVQIBLC-DOTOQJQBSA-N 1 0 384.245 2.651 20 0 GFADRO Cc1nc2ccc(Br)cn2c1C(=O)N1CC[N@H+](C)[C@H](C(C)C)C1 ZINC000477121309 564365331 /nfs/dbraw/zinc/36/53/31/564365331.db2.gz RAKUVACFPPUSNA-AWEZNQCLSA-N 1 0 379.302 2.817 20 0 GFADRO COc1ccc(Cl)c(S(=O)(=O)N2C[C@H](SC)[C@@H]([NH+]3CCCC3)C2)c1 ZINC000477136644 564366528 /nfs/dbraw/zinc/36/65/28/564366528.db2.gz LXRCHNPKDNSLOM-GJZGRUSLSA-N 1 0 390.958 2.549 20 0 GFADRO C[C@@H](c1ccccc1Br)N1CC[NH+]([C@@H]2CCNC(=O)CC2)CC1 ZINC000451919070 564366728 /nfs/dbraw/zinc/36/67/28/564366728.db2.gz RMBNJPYWBQTEQG-GJZGRUSLSA-N 1 0 380.330 2.796 20 0 GFADRO CS[C@@H]1CN(S(=O)(=O)c2ccccc2C(F)(F)F)C[C@@H]1[NH+]1CCCC1 ZINC000477143117 564366991 /nfs/dbraw/zinc/36/69/91/564366991.db2.gz JAJZOPLFSLLCPA-UONOGXRCSA-N 1 0 394.484 2.906 20 0 GFADRO [NH3+]C1C[C@H]2CC[C@@H](C1)C2NS(=O)(=O)c1ccc(Cl)c(Br)c1 ZINC000567384550 564369286 /nfs/dbraw/zinc/36/92/86/564369286.db2.gz JPVXNRAVSINFAI-HZNSRWLBSA-N 1 0 393.734 2.897 20 0 GFADRO COC(=O)COc1ccc(C[N@H+](C)Cc2cc(Br)cn2C)cc1 ZINC000544023391 564371363 /nfs/dbraw/zinc/37/13/63/564371363.db2.gz GQGLNRSHQOUWTB-UHFFFAOYSA-N 1 0 381.270 2.971 20 0 GFADRO CS(=O)(=O)[C@@H]1CCC[C@@H]([NH2+]C[C@H](CO)Cc2c(F)cccc2Cl)C1 ZINC000511431305 564372775 /nfs/dbraw/zinc/37/27/75/564372775.db2.gz RNDZWIFZSAXAQP-MGPQQGTHSA-N 1 0 377.909 2.576 20 0 GFADRO O=C([C@@H]1C[C@]12CC[NH2+]C2)N1CCC(Oc2cccc(Br)c2)CC1 ZINC000567468911 564372794 /nfs/dbraw/zinc/37/27/94/564372794.db2.gz GBUGASXPYCRAIO-WMZOPIPTSA-N 1 0 379.298 2.819 20 0 GFADRO COCC[C@H](Cc1cccc(Br)c1)C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000477325967 564373612 /nfs/dbraw/zinc/37/36/12/564373612.db2.gz NQSPQJYGUOWJQU-OAHLLOKOSA-N 1 0 383.330 2.855 20 0 GFADRO C[C@@H]([NH3+])[C@H](C)NC(=O)c1cccc(NC(=O)c2ccc(Br)o2)c1 ZINC000567501113 564374806 /nfs/dbraw/zinc/37/48/06/564374806.db2.gz CFDRXAHZNHRNMS-ZJUUUORDSA-N 1 0 380.242 2.760 20 0 GFADRO Cc1cccc(OC[C@H](O)C[NH2+][C@](C)(CO)c2ccc(Br)cc2)c1 ZINC000511566775 564375755 /nfs/dbraw/zinc/37/57/55/564375755.db2.gz NXRKUJDOGBCJML-IEBWSBKVSA-N 1 0 394.309 2.995 20 0 GFADRO CC(C)(Cc1ccc(Br)cc1)NC(=O)NCC[N@@H+]1CCCOCC1 ZINC000567568178 564377391 /nfs/dbraw/zinc/37/73/91/564377391.db2.gz FRIIFASMTGFSID-UHFFFAOYSA-N 1 0 398.345 2.792 20 0 GFADRO CN(C)C(=O)N[C@@H]1CCC[N@H+](CCC(=O)Nc2cccc(Br)c2)C1 ZINC000452005085 564380209 /nfs/dbraw/zinc/38/02/09/564380209.db2.gz CCSRVHJAXHWFQW-OAHLLOKOSA-N 1 0 397.317 2.513 20 0 GFADRO CCO[C@@H]1CCC[C@H]1[NH2+]CCS(=O)(=O)c1cccc(Br)c1 ZINC000452012155 564381112 /nfs/dbraw/zinc/38/11/12/564381112.db2.gz HQUUOZCMVFBBTH-HUUCEWRRSA-N 1 0 376.316 2.770 20 0 GFADRO CN(C)Cc1cnc(C[NH2+]C[C@@H](CO)Cc2ccccc2Br)s1 ZINC000511783003 564382293 /nfs/dbraw/zinc/38/22/93/564382293.db2.gz ANPYFZFYTXCGED-ZDUSSCGKSA-N 1 0 398.370 2.908 20 0 GFADRO O=C(NCC[N@H+]1CC=CCC1)c1cc(I)c(F)cc1F ZINC000477641057 564382831 /nfs/dbraw/zinc/38/28/31/564382831.db2.gz VHBYYZJJUUOFGU-UHFFFAOYSA-N 1 0 392.187 2.561 20 0 GFADRO Cc1c(Br)cccc1CC(=O)NC[C@H](O)C[NH+]1CCC(C)CC1 ZINC000477657536 564382854 /nfs/dbraw/zinc/38/28/54/564382854.db2.gz BIVDWGBPBVZKBJ-INIZCTEOSA-N 1 0 383.330 2.509 20 0 GFADRO CCOCC[C@@H](O)C[NH2+][C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000567684536 564383362 /nfs/dbraw/zinc/38/33/62/564383362.db2.gz LHICHFBQGCVUIL-CHWSQXEVSA-N 1 0 381.826 2.710 20 0 GFADRO C[C@@H]1C[C@H]([NH2+]C[C@@H](O)COc2cc(F)cc(Br)c2)CN1C1CC1 ZINC000567685023 564383464 /nfs/dbraw/zinc/38/34/64/564383464.db2.gz UDKLJOYXXKFPNY-DIOULYMOSA-N 1 0 387.293 2.543 20 0 GFADRO CC(C)CC[C@@H](O)C[NH2+]CC(=O)Nc1ccc(I)cc1 ZINC000567708360 564384045 /nfs/dbraw/zinc/38/40/45/564384045.db2.gz MULIVVFQANKRRO-CQSZACIVSA-N 1 0 390.265 2.616 20 0 GFADRO C[C@@H]1COCC[C@H]1C[NH2+]C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000567708510 564384352 /nfs/dbraw/zinc/38/43/52/564384352.db2.gz PYEAKRKTERDODO-XUJVJEKNSA-N 1 0 376.266 2.590 20 0 GFADRO CCn1cc([C@@H]2NC(=O)CC[C@H]2[NH2+]Cc2cscc2Br)cn1 ZINC000511904823 564384924 /nfs/dbraw/zinc/38/49/24/564384924.db2.gz CVLCLTLDGDYFPO-HIFRSBDPSA-N 1 0 383.315 2.837 20 0 GFADRO CS[C@@H]1CN(C(=O)c2cnc(Cc3ccccc3F)s2)C[C@@H]1[NH+](C)C ZINC000477711261 564385111 /nfs/dbraw/zinc/38/51/11/564385111.db2.gz IQSCGRDTCRCXNL-GOEBONIOSA-N 1 0 379.526 2.991 20 0 GFADRO Ic1cnc(CNc2c[nH+]ccc2-n2cccn2)s1 ZINC000511922873 564386366 /nfs/dbraw/zinc/38/63/66/564386366.db2.gz NDEGSKLCQAEEGD-UHFFFAOYSA-N 1 0 383.218 2.941 20 0 GFADRO O=S(=O)(NCC[NH2+][C@@H](c1cccs1)C1(CO)CCC1)c1ccccc1 ZINC000452062319 564387879 /nfs/dbraw/zinc/38/78/79/564387879.db2.gz RXCQRIAQQVIDKB-KRWDZBQOSA-N 1 0 380.535 2.520 20 0 GFADRO C[C@@H]1C[C@@H](O)C[N@H+](C[C@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000452065213 564388805 /nfs/dbraw/zinc/38/88/05/564388805.db2.gz HJBBQJDCPLVURB-RTXFEEFZSA-N 1 0 378.694 2.545 20 0 GFADRO CCC(CC)(CC(=O)OC)[NH2+]Cc1ncc(I)s1 ZINC000512006159 564388778 /nfs/dbraw/zinc/38/87/78/564388778.db2.gz FZSXNPGZFLAICF-UHFFFAOYSA-N 1 0 382.267 2.959 20 0 GFADRO CC[N@@H+]1CCC[C@H](CNC(=O)c2cc(F)ccc2I)C1 ZINC000512018493 564389361 /nfs/dbraw/zinc/38/93/61/564389361.db2.gz YDYCWOCXYNQXOZ-LLVKDONJSA-N 1 0 390.240 2.892 20 0 GFADRO CC(=O)Nc1cc(F)c(S(=O)(=O)NC(C)(C)C[NH+]2CCCC2)cc1Cl ZINC000452083684 564390060 /nfs/dbraw/zinc/39/00/60/564390060.db2.gz LRKSAQRGJAOHRN-UHFFFAOYSA-N 1 0 391.896 2.590 20 0 GFADRO Cn1c2ccc(C[NH2+]Cc3cc4c(c(Br)c3)OCO4)cc2oc1=O ZINC000512061979 564390661 /nfs/dbraw/zinc/39/06/61/564390661.db2.gz ZYHOWZBPBFWUMH-UHFFFAOYSA-N 1 0 391.221 2.913 20 0 GFADRO CC[C@@H](C)[NH2+][C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 ZINC000477921977 564390897 /nfs/dbraw/zinc/39/08/97/564390897.db2.gz PKIFWIBEPBJJMT-TZMCWYRMSA-N 1 0 375.332 2.990 20 0 GFADRO O=C(NCc1ccc(I)c(Cl)c1)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000567825385 564391023 /nfs/dbraw/zinc/39/10/23/564391023.db2.gz NBMGXCICZUVHNQ-HZMBPMFUSA-N 1 0 390.652 2.560 20 0 GFADRO CC[C@@H]([NH3+])CNC(=O)c1ccc(Br)cc1I ZINC000567849418 564393060 /nfs/dbraw/zinc/39/30/60/564393060.db2.gz YKHFQJZAUSTFNR-MRVPVSSYSA-N 1 0 397.054 2.521 20 0 GFADRO CCOc1cc(CN2CCO[C@@H](C[NH3+])C2)cc(Br)c1OC(F)F ZINC000478053555 564394392 /nfs/dbraw/zinc/39/43/92/564394392.db2.gz LTCISYQMARPFQE-NSHDSACASA-N 1 0 395.244 2.609 20 0 GFADRO C[C@@H]1CSC[C@H]1[NH2+]CC(=O)Nc1cccc(I)c1 ZINC000512214138 564394430 /nfs/dbraw/zinc/39/44/30/564394430.db2.gz UWCKGCUKJAQBQR-BXKDBHETSA-N 1 0 376.263 2.571 20 0 GFADRO Cc1cc(I)ccc1NC(=O)C[NH2+][C@@H]1CSC[C@@H]1C ZINC000512210999 564394443 /nfs/dbraw/zinc/39/44/43/564394443.db2.gz HWXKWGDRUWLWND-GXFFZTMASA-N 1 0 390.290 2.879 20 0 GFADRO CC(C)[N@@H+]1CC[C@@H](N(C)CC(=O)N(C)Cc2ccccc2Br)C1 ZINC000452118365 564395303 /nfs/dbraw/zinc/39/53/03/564395303.db2.gz OTXKJHJHBQRCDQ-MRXNPFEDSA-N 1 0 382.346 2.822 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C(=O)N1CC[NH2+][C@H](C)[C@@H]1C ZINC000567915838 564395812 /nfs/dbraw/zinc/39/58/12/564395812.db2.gz WEORVFLGNIEFCV-YPMHNXCESA-N 1 0 377.286 2.766 20 0 GFADRO C[C@H](C[C@H](C)[NH3+])NC(=O)CCCOc1ccc(I)cc1 ZINC000567925933 564396576 /nfs/dbraw/zinc/39/65/76/564396576.db2.gz YEJJJUZNHGIZCG-NWDGAFQWSA-N 1 0 390.265 2.692 20 0 GFADRO CCOCCOC[C@H](O)CNc1c(C)c(C)[nH+]c2ccc(Br)cc21 ZINC000478165301 564396986 /nfs/dbraw/zinc/39/69/86/564396986.db2.gz IVOGFKMOGVLZCJ-OAHLLOKOSA-N 1 0 397.313 2.862 20 0 GFADRO CC[NH+](CC)C[C@H](C)NC(=O)COc1ccc(Br)cc1C(C)=O ZINC000512325339 564397639 /nfs/dbraw/zinc/39/76/39/564397639.db2.gz VJCPQVJKULQQFW-LBPRGKRZSA-N 1 0 385.302 2.877 20 0 GFADRO O=C(c1ccc(Br)cc1)N1CC[NH+](C[C@H]2CCCC[C@@H]2O)CC1 ZINC000567989679 564398883 /nfs/dbraw/zinc/39/88/83/564398883.db2.gz NFXCCNZETWVTGQ-WBVHZDCISA-N 1 0 381.314 2.758 20 0 GFADRO C[C@@H](C[NH+](C)C)NC(=O)N1CCC(Oc2cccc(Br)c2)CC1 ZINC000512422130 564401493 /nfs/dbraw/zinc/40/14/93/564401493.db2.gz OZPUJHFBXBCZTC-ZDUSSCGKSA-N 1 0 384.318 2.952 20 0 GFADRO C[N@@H+]1CCC[C@@H](CCNC(=O)[C@@H]2CC(=O)Nc3ccc(Br)cc32)C1 ZINC000568041939 564402358 /nfs/dbraw/zinc/40/23/58/564402358.db2.gz TVRRLKMJWNBMCH-SWLSCSKDSA-N 1 0 394.313 2.723 20 0 GFADRO Cc1cc(C(=O)N2CC[C@@H](C[NH+](C)C)C2)nn1-c1ccc(Br)cc1 ZINC000512482066 564404162 /nfs/dbraw/zinc/40/41/62/564404162.db2.gz AXPMKIWHCIJQSR-AWEZNQCLSA-N 1 0 391.313 2.967 20 0 GFADRO COc1c[nH+]ccc1N1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000478467502 564404215 /nfs/dbraw/zinc/40/42/15/564404215.db2.gz ZFTBTSYZZIQDTL-UHFFFAOYSA-N 1 0 376.254 2.815 20 0 GFADRO O=C(CSc1cccc(C(F)(F)F)c1)NC[C@@H]1CCC[N@H+]1CCCO ZINC000452345590 564407217 /nfs/dbraw/zinc/40/72/17/564407217.db2.gz FLYLBPUJJLZLMP-AWEZNQCLSA-N 1 0 376.444 2.761 20 0 GFADRO C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)NC[C@H]1CCC[N@@H+]1CCCO ZINC000452356207 564408200 /nfs/dbraw/zinc/40/82/00/564408200.db2.gz ZVXHKZIOVZXHQJ-CHWSQXEVSA-N 1 0 375.296 2.724 20 0 GFADRO C[C@H](Cc1ccc(Br)cc1)C(=O)NC[C@H]1CCCC[N@@H+]1CCO ZINC000452379122 564411183 /nfs/dbraw/zinc/41/11/83/564411183.db2.gz QITANOYGFLBITD-RHSMWYFYSA-N 1 0 383.330 2.591 20 0 GFADRO O=C(CCCOc1cccc(Br)c1)NC[C@H]1CCCC[N@H+]1CCO ZINC000452385486 564411194 /nfs/dbraw/zinc/41/11/94/564411194.db2.gz DJBOPGQKPAOTLH-MRXNPFEDSA-N 1 0 399.329 2.571 20 0 GFADRO Cn1cc([C@@H]2CN(C(=O)[C@H]3C[C@H]3c3cccc(Cl)c3Cl)C[C@H]2[NH3+])cn1 ZINC000568253919 564411219 /nfs/dbraw/zinc/41/12/19/564411219.db2.gz NOGNWGMXZVLSIL-RZLSGREXSA-N 1 0 379.291 2.784 20 0 GFADRO O=C(N[C@@H]1CCC[N@@H+](CCCO)C1)c1cc(Br)cc2cccnc21 ZINC000452383047 564411796 /nfs/dbraw/zinc/41/17/96/564411796.db2.gz NYASEQNPTMCURD-OAHLLOKOSA-N 1 0 392.297 2.574 20 0 GFADRO O=C(CCCc1ccc(Br)s1)NC[C@@H]1CCCC[N@H+]1CCO ZINC000452393178 564412825 /nfs/dbraw/zinc/41/28/25/564412825.db2.gz SHKTXIOSYQNBNK-ZDUSSCGKSA-N 1 0 389.359 2.796 20 0 GFADRO O=C(NC[C@H]1CCCC[N@H+]1CCO)c1cc2cc(Br)ccc2[nH]1 ZINC000452390482 564413101 /nfs/dbraw/zinc/41/31/01/564413101.db2.gz OGIYTZJNXZAXAB-CQSZACIVSA-N 1 0 380.286 2.507 20 0 GFADRO Cc1cc(C[NH2+]C[C@@H]2CCCC[C@H]2NS(C)(=O)=O)ccc1Br ZINC000512850021 564413541 /nfs/dbraw/zinc/41/35/41/564413541.db2.gz HCJVLNXUFAZCKV-GOEBONIOSA-N 1 0 389.359 2.955 20 0 GFADRO CS(=O)(=O)N[C@@H]1CCCC[C@@H]1C[NH2+]Cc1cc(F)ccc1Br ZINC000512850813 564413621 /nfs/dbraw/zinc/41/36/21/564413621.db2.gz KZVQGGLISIGAQR-IAQYHMDHSA-N 1 0 393.322 2.786 20 0 GFADRO Cc1cc(C[NH2+]C[C@@H]2CCCC[C@@H]2NS(C)(=O)=O)ccc1Br ZINC000512850022 564413876 /nfs/dbraw/zinc/41/38/76/564413876.db2.gz HCJVLNXUFAZCKV-HOCLYGCPSA-N 1 0 389.359 2.955 20 0 GFADRO CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)Cc2ccc(Cl)s2)CC1 ZINC000512843340 564414076 /nfs/dbraw/zinc/41/40/76/564414076.db2.gz CCIFSFHOOMNLAC-UHFFFAOYSA-N 1 0 385.961 2.687 20 0 GFADRO CC1(C)NC(=O)CC[C@@H]1[NH2+]Cc1nnc2c(Cl)cc(C(F)(F)F)cn12 ZINC000568345935 564415044 /nfs/dbraw/zinc/41/50/44/564415044.db2.gz KTBKJQUNEYCRGJ-JTQLQIEISA-N 1 0 375.782 2.548 20 0 GFADRO O=S(=O)(NCC[NH2+]Cc1cncc(F)c1)c1cccc(Cl)c1Cl ZINC000512874631 564415265 /nfs/dbraw/zinc/41/52/65/564415265.db2.gz RCQHRHNGCKFZOL-UHFFFAOYSA-N 1 0 378.256 2.596 20 0 GFADRO COc1cc(C[NH2+]C[C@@H](N2CCOCC2)C(F)(F)F)cc(Cl)c1OC ZINC000513012369 564418035 /nfs/dbraw/zinc/41/80/35/564418035.db2.gz OMUUIWFRIPBPHA-CQSZACIVSA-N 1 0 382.810 2.710 20 0 GFADRO O=C(NCCCn1cc(Br)cn1)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000568435459 564418431 /nfs/dbraw/zinc/41/84/31/564418431.db2.gz SRGKATOUGSZAFU-AWEZNQCLSA-N 1 0 383.334 2.807 20 0 GFADRO C[NH+](C)CCCOc1cnccc1CNC(=O)c1ncsc1Br ZINC000568443682 564419442 /nfs/dbraw/zinc/41/94/42/564419442.db2.gz STDIGTPHWHYLJM-UHFFFAOYSA-N 1 0 399.314 2.561 20 0 GFADRO CCc1nnc(NC(=O)[C@H](C)[C@@H](C)[NH2+]Cc2ccc([S@](C)=O)cc2)s1 ZINC000513096502 564420173 /nfs/dbraw/zinc/42/01/73/564420173.db2.gz VGFIOCKLLFUKGD-GWGNUCMJSA-N 1 0 380.539 2.591 20 0 GFADRO CS(=O)(=O)N1CCC[C@@H]([NH2+][C@@H]2CCCc3cc(Br)ccc32)C1 ZINC000479075721 564423741 /nfs/dbraw/zinc/42/37/41/564423741.db2.gz YBLZYTYMFYJFTO-GDBMZVCRSA-N 1 0 387.343 2.840 20 0 GFADRO C/C(=C\c1ccc(Cl)cc1)C[NH2+]C[C@@H]1CCCCN1S(=O)(=O)N(C)C ZINC000568555340 564424349 /nfs/dbraw/zinc/42/43/49/564424349.db2.gz BFLQNOJSSOOXGN-XOVFHRFOSA-N 1 0 385.961 2.994 20 0 GFADRO C[C@H]([NH2+]CCOc1ccc(S(C)(=O)=O)cc1)c1ccc(Br)cn1 ZINC000479071075 564424439 /nfs/dbraw/zinc/42/44/39/564424439.db2.gz SHSIJRJRGCVVQN-LBPRGKRZSA-N 1 0 399.310 2.977 20 0 GFADRO Cc1cc(Br)cc(C)c1S(=O)(=O)NC1(C[NH+](C)C)CCC1 ZINC000545490311 564425559 /nfs/dbraw/zinc/42/55/59/564425559.db2.gz ITMBEZPBDFDVFP-UHFFFAOYSA-N 1 0 375.332 2.829 20 0 GFADRO Cc1cc(Br)cc(Cl)c1C(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000479107694 564425976 /nfs/dbraw/zinc/42/59/76/564425976.db2.gz RCAQVNFZRKTLLR-ZDUSSCGKSA-N 1 0 389.721 2.988 20 0 GFADRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2Cc2cn(-c3ccccc3Br)nn2)C1 ZINC000568615359 564426678 /nfs/dbraw/zinc/42/66/78/564426678.db2.gz LHMVQMKPXLZECR-YOEHRIQHSA-N 1 0 390.329 2.946 20 0 GFADRO C[C@H](NC(=O)c1ccc(-n2cc(Br)cn2)cc1)[C@H]1CCC[NH2+]C1 ZINC000568619981 564426742 /nfs/dbraw/zinc/42/67/42/564426742.db2.gz TUXRNQPPGBKRLL-JSGCOSHPSA-N 1 0 377.286 2.753 20 0 GFADRO CS(=O)(=O)NC[C@H]1CCC[C@H]1[NH2+]Cc1ccc(Sc2ccccn2)o1 ZINC000513526763 564431583 /nfs/dbraw/zinc/43/15/83/564431583.db2.gz VZSWPTCRNYGTBN-UKRRQHHQSA-N 1 0 381.523 2.633 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S(=O)(=O)CC[NH2+]C[C@H]1CCC[C@H]1C ZINC000568742308 564432266 /nfs/dbraw/zinc/43/22/66/564432266.db2.gz MPYKBJLFJOONQG-HZPDHXFCSA-N 1 0 387.567 2.670 20 0 GFADRO CC(C)N1CCC([NH2+]CCS(=O)(=O)c2cccc(Br)c2)CC1 ZINC000568750837 564433143 /nfs/dbraw/zinc/43/31/43/564433143.db2.gz LXJDXQOJIKHIQH-UHFFFAOYSA-N 1 0 389.359 2.685 20 0 GFADRO C[C@H](NC(=O)C[N@@H+]1CC[C@@H](C)C1)c1ccc(Br)cc1OCCCO ZINC000568762771 564433400 /nfs/dbraw/zinc/43/34/00/564433400.db2.gz IVELINXSQDWLOP-KGLIPLIRSA-N 1 0 399.329 2.729 20 0 GFADRO CC(C)C[C@@H](Cc1cccc(Br)c1)C(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000545861999 564434093 /nfs/dbraw/zinc/43/40/93/564434093.db2.gz AZCLJUFYKMHILW-LPHOPBHVSA-N 1 0 397.357 2.837 20 0 GFADRO CN1CCN(C(=O)CC2CC[NH+](Cc3cccc(Br)c3)CC2)CC1 ZINC000513646692 564435864 /nfs/dbraw/zinc/43/58/64/564435864.db2.gz BAFMISHUOWEQDX-UHFFFAOYSA-N 1 0 394.357 2.825 20 0 GFADRO CC1=CCN(CC[NH2+][C@H](C)c2cc(S(N)(=O)=O)c(Cl)cc2Cl)CC1 ZINC000479437516 564440054 /nfs/dbraw/zinc/44/00/54/564440054.db2.gz MGPSOOIYDZHMQN-GFCCVEGCSA-N 1 0 392.352 2.943 20 0 GFADRO Cc1[nH]c2ccc(Br)cc2c1CC(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000568963560 564442651 /nfs/dbraw/zinc/44/26/51/564442651.db2.gz VXZAQHFHEKWNOF-OLZOCXBDSA-N 1 0 376.298 2.849 20 0 GFADRO [NH3+]CCC1CCN(c2ncnc3cccc(I)c32)CC1 ZINC000569007181 564444570 /nfs/dbraw/zinc/44/45/70/564444570.db2.gz DFKQNXUIWBMEFH-UHFFFAOYSA-N 1 0 382.249 2.800 20 0 GFADRO [NH3+]CC1CCN(C(=O)[C@H](c2ccc(Br)cc2)N2CCCC2)CC1 ZINC000568998872 564444645 /nfs/dbraw/zinc/44/46/45/564444645.db2.gz ITBBIWOCIFKDNF-KRWDZBQOSA-N 1 0 380.330 2.783 20 0 GFADRO C[N@H+](C[C@@H](O)COc1ccc(Br)cc1)[C@@H](CO)c1ccccc1 ZINC000479616301 564445335 /nfs/dbraw/zinc/44/53/35/564445335.db2.gz JZYUBEAVVLPTFE-AEFFLSMTSA-N 1 0 380.282 2.854 20 0 GFADRO CCOC(=O)[C@H](C)[C@@H](C)[NH2+][C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000514248787 564449070 /nfs/dbraw/zinc/44/90/70/564449070.db2.gz VTWYYGSWHDRCNE-JMSVASOKSA-N 1 0 383.286 2.732 20 0 GFADRO CSCC[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)N[C@@H](C)[C@@H](C)[NH3+] ZINC000569119201 564449466 /nfs/dbraw/zinc/44/94/66/564449466.db2.gz NLRKXWIXMFGUGC-BFVZDQMLSA-N 1 0 392.352 2.697 20 0 GFADRO C[C@@H]([NH2+]CC(C)(C)OCCO)c1ccc(F)c(I)c1 ZINC000453231216 564449622 /nfs/dbraw/zinc/44/96/22/564449622.db2.gz QIUWQLXEABSXGJ-SNVBAGLBSA-N 1 0 381.229 2.868 20 0 GFADRO C[C@@H](CCO)CC[NH2+][C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000453231628 564449818 /nfs/dbraw/zinc/44/98/18/564449818.db2.gz IQBXMSVCFRCXOR-BXUZGUMPSA-N 1 0 376.316 2.666 20 0 GFADRO C[C@H](OC[C@H](O)C[NH2+]CCC(C)(C)S(C)(=O)=O)c1ccc(Cl)cc1 ZINC000569111324 564450016 /nfs/dbraw/zinc/45/00/16/564450016.db2.gz QBHDIYWWUXRKHX-XJKSGUPXSA-N 1 0 377.934 2.581 20 0 GFADRO CC[C@@H](Cc1ccccc1Br)N(C)C(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000479778355 564450223 /nfs/dbraw/zinc/45/02/23/564450223.db2.gz WYLGHGUILUUEIC-WMZOPIPTSA-N 1 0 394.357 2.619 20 0 GFADRO O=C(CSc1cc(Cl)ccc1Cl)NC[C@@]1(O)C[NH+]2CCC1CC2 ZINC000569172739 564451357 /nfs/dbraw/zinc/45/13/57/564451357.db2.gz ZXGSXEMCVZONSF-MRXNPFEDSA-N 1 0 375.321 2.658 20 0 GFADRO CC[NH+]1CCC(CNC(=O)C(=O)Nc2ccc(C)cc2Br)CC1 ZINC000569172031 564451421 /nfs/dbraw/zinc/45/14/21/564451421.db2.gz OIHFCVDJVMHPQN-UHFFFAOYSA-N 1 0 382.302 2.544 20 0 GFADRO NC(=O)[C@@H]([NH2+]CC[C@H]1COc2ccccc2O1)c1ccc(Br)cc1 ZINC000479885531 564452586 /nfs/dbraw/zinc/45/25/86/564452586.db2.gz ORFPMUQZEXWOOB-YOEHRIQHSA-N 1 0 391.265 2.795 20 0 GFADRO CC[C@@H](CNS(C)(=O)=O)[NH2+][C@H]1CCSc2ccc(Br)cc21 ZINC000453295439 564453137 /nfs/dbraw/zinc/45/31/37/564453137.db2.gz YBFUJDJYUOILQK-AAEUAGOBSA-N 1 0 393.372 2.903 20 0 GFADRO C[C@@H]1CN(C(=O)[C@H](c2ccc(Br)cc2)N2CCCC2)CC[C@@H]1[NH3+] ZINC000569218591 564453442 /nfs/dbraw/zinc/45/34/42/564453442.db2.gz ABRYDKXUKSYHQD-COXVUDFISA-N 1 0 380.330 2.782 20 0 GFADRO C[C@@H]1CN(C(=O)[C@@H](c2ccc(Br)cc2)N2CCCC2)CC[C@H]1[NH3+] ZINC000569218592 564453562 /nfs/dbraw/zinc/45/35/62/564453562.db2.gz ABRYDKXUKSYHQD-KBRIMQKVSA-N 1 0 380.330 2.782 20 0 GFADRO C[C@@H]1CC[S@](=O)CCN1C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000514706805 564454224 /nfs/dbraw/zinc/45/42/24/564454224.db2.gz ONOWVEAMAIHPOP-TWKFVSLJSA-N 1 0 383.583 2.513 20 0 GFADRO CC[C@@H]1C[N@H+](C)CCN1C(=O)CCNC(=O)Nc1ccc(Br)cc1 ZINC000514686210 564454307 /nfs/dbraw/zinc/45/43/07/564454307.db2.gz UVUDANJOKNALDI-OAHLLOKOSA-N 1 0 397.317 2.513 20 0 GFADRO Cc1c(Br)cccc1C[C@@H](CO)C[NH2+][C@H](C)c1ccc(=O)[nH]n1 ZINC000453369892 564455102 /nfs/dbraw/zinc/45/51/02/564455102.db2.gz NKDSFUXKFGNYJJ-CHWSQXEVSA-N 1 0 380.286 2.755 20 0 GFADRO Cc1c(Br)cccc1C[C@@H](CO)C[NH2+][C@H](C)C(C)(C)n1cncn1 ZINC000453378874 564455746 /nfs/dbraw/zinc/45/57/46/564455746.db2.gz QFPMELOTGVUMEG-HUUCEWRRSA-N 1 0 395.345 2.913 20 0 GFADRO CC[C@@H]([NH2+][C@@H]1CCCOc2ccc(I)cc21)C(=O)NC ZINC000453399457 564456425 /nfs/dbraw/zinc/45/64/25/564456425.db2.gz KBBHXBIVHUUFAL-CHWSQXEVSA-N 1 0 388.249 2.619 20 0 GFADRO C[C@H]1CSc2ccc(Br)cc2[C@H]1[NH2+]CCS(=O)(=O)N(C)C ZINC000569279455 564457547 /nfs/dbraw/zinc/45/75/47/564457547.db2.gz PJNKZIBHZKGJBL-HZMBPMFUSA-N 1 0 393.372 2.713 20 0 GFADRO O=C1CO[C@H]2CC[N@@H+](Cc3ccc(-c4ccc(Br)cc4)o3)C[C@@H]2N1 ZINC000453577585 564458133 /nfs/dbraw/zinc/45/81/33/564458133.db2.gz SUIAWESHHIRYOI-RDJZCZTQSA-N 1 0 391.265 2.798 20 0 GFADRO C[C@H]([NH2+]CCN1CCO[C@@H](C)C1)c1ccc(F)c(I)c1 ZINC000514842173 564459032 /nfs/dbraw/zinc/45/90/32/564459032.db2.gz ZFALJDNNFSRJPA-RYUDHWBXSA-N 1 0 392.256 2.802 20 0 GFADRO Brc1c(-c2nc(CC3=[NH+][C@@H]4CCCC[C@H]4N3)no2)n[nH]c1C1CC1 ZINC000546551755 564459472 /nfs/dbraw/zinc/45/94/72/564459472.db2.gz XYNPWXMLSZIMHB-NXEZZACHSA-N 1 0 391.273 2.955 20 0 GFADRO Cc1cc(Cl)cc(NC(=O)C(=O)NCC(C)(C)[NH+](C)C)c1Br ZINC000453587253 564459667 /nfs/dbraw/zinc/45/96/67/564459667.db2.gz ZGMDRAGXUWBUAL-UHFFFAOYSA-N 1 0 390.709 2.806 20 0 GFADRO C[N@@H+]1CC[C@](O)(CNC(=O)Nc2ccc(Br)c(C(F)(F)F)c2)C1 ZINC000546576719 564460465 /nfs/dbraw/zinc/46/04/65/564460465.db2.gz DWANWGFPDPTQTD-ZDUSSCGKSA-N 1 0 396.207 2.656 20 0 GFADRO CON1CCC([N@H+](C)Cc2ccc(Br)cc2N2CCOCC2)CC1 ZINC000453626510 564460554 /nfs/dbraw/zinc/46/05/54/564460554.db2.gz SVXFECPCFGJZNQ-UHFFFAOYSA-N 1 0 398.345 2.743 20 0 GFADRO CN(C)CC[N@H+](C)CCCN(C)C(=O)[C@H]1C[C@@H]1c1ccc(Br)cc1 ZINC000569407938 564461708 /nfs/dbraw/zinc/46/17/08/564461708.db2.gz VXOFTAYRIFXQJN-MSOLQXFVSA-N 1 0 396.373 2.895 20 0 GFADRO Cc1ncc(Br)cc1NC(=O)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000453650098 564462116 /nfs/dbraw/zinc/46/21/16/564462116.db2.gz WGBRNHWTQOGARH-AWEZNQCLSA-N 1 0 399.333 2.574 20 0 GFADRO O[C@@H](C[NH2+][C@@H]1CCN(CC(F)(F)F)C1)COc1cc(Cl)ccc1Cl ZINC000569475016 564464845 /nfs/dbraw/zinc/46/48/45/564464845.db2.gz XDCVMBXZEHLMBX-NEPJUHHUSA-N 1 0 387.229 2.959 20 0 GFADRO CN(CCC[NH+]1CCCC1)C(=O)CCNC(=O)c1ccc(Br)cc1 ZINC000546693717 564465038 /nfs/dbraw/zinc/46/50/38/564465038.db2.gz DRXGWEJYKUNKDE-UHFFFAOYSA-N 1 0 396.329 2.513 20 0 GFADRO CC(C)(C)[C@H](O)C[NH2+][C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000480241674 564465890 /nfs/dbraw/zinc/46/58/90/564465890.db2.gz PUVFNTOCXOIYMG-TZMCWYRMSA-N 1 0 376.316 2.664 20 0 GFADRO O[C@H](C[NH2+]CCOc1ncc(Cl)cc1Cl)COc1ccc(F)cc1 ZINC000569476255 564465992 /nfs/dbraw/zinc/46/59/92/564465992.db2.gz TYUJQPWBRHQAMY-CYBMUJFWSA-N 1 0 375.227 2.936 20 0 GFADRO O=C1[C@@H](N2CC[NH2+]C[C@@H]2c2cccc(Cl)c2)CCCN1CC(F)(F)F ZINC000569577720 564469862 /nfs/dbraw/zinc/46/98/62/564469862.db2.gz ZHBQLQOTIJOFDT-LSDHHAIUSA-N 1 0 375.822 2.840 20 0 GFADRO Cn1ncc2c1CCC[C@H]2[NH2+]C[C@@H](O)COc1ccc(Br)cc1 ZINC000515166076 564470605 /nfs/dbraw/zinc/47/06/05/564470605.db2.gz XYKDBUHIGBHSIT-CZUORRHYSA-N 1 0 380.286 2.590 20 0 GFADRO C[C@@H]1Cc2cc(S(=O)(=O)N3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)cc(Cl)c2O1 ZINC000569606007 564471548 /nfs/dbraw/zinc/47/15/48/564471548.db2.gz XRHOIOCNJQGTAI-MGPQQGTHSA-N 1 0 384.929 2.674 20 0 GFADRO C[C@@H]1Cc2cc(S(=O)(=O)N3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)cc(Cl)c2O1 ZINC000569606006 564471758 /nfs/dbraw/zinc/47/17/58/564471758.db2.gz XRHOIOCNJQGTAI-MCIONIFRSA-N 1 0 384.929 2.674 20 0 GFADRO CCOC(=O)CN(CC(F)(F)F)C(=O)[C@H](c1ccc(Cl)cc1)N(C)C ZINC000569618084 564471786 /nfs/dbraw/zinc/47/17/86/564471786.db2.gz CJXQFEOPUYJISB-AWEZNQCLSA-N 1 0 380.794 2.897 20 0 GFADRO C[C@H](NC(=O)N1CC[C@@H]([NH+]2CCCC2)[C@H]1C)c1ncc(Br)cn1 ZINC000515297116 564474047 /nfs/dbraw/zinc/47/40/47/564474047.db2.gz HTAFQAGDNIGLNY-OUCADQQQSA-N 1 0 382.306 2.568 20 0 GFADRO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(C(=O)COc2ccccc2Br)CC1 ZINC000569712809 564474867 /nfs/dbraw/zinc/47/48/67/564474867.db2.gz NXFZUEQHEQYALL-CRAIPNDOSA-N 1 0 397.313 2.573 20 0 GFADRO O=S(=O)(c1ccc(C[NH2+][C@@H]2CCCC23CCCC3)s1)N1CCOCC1 ZINC000515622839 564483960 /nfs/dbraw/zinc/48/39/60/564483960.db2.gz JNYCZBXQJODJRC-MRXNPFEDSA-N 1 0 384.567 2.972 20 0 GFADRO C[N@@H+]1CC[C@@H](Nc2ncc(I)cn2)[C@@H]1c1ccccc1 ZINC000547328594 564484273 /nfs/dbraw/zinc/48/42/73/564484273.db2.gz GXRCURJSUXYRGP-KGLIPLIRSA-N 1 0 380.233 2.939 20 0 GFADRO O=C(Nc1ncc(-c2cnccn2)s1)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000570030851 564488150 /nfs/dbraw/zinc/48/81/50/564488150.db2.gz KIANYAVPUWLKKY-ZDUSSCGKSA-N 1 0 375.523 2.756 20 0 GFADRO C[C@H](CNC(=O)CNC(=O)c1ccc(Br)cc1)[N@@H+]1CCCC[C@H]1C ZINC000547449615 564489170 /nfs/dbraw/zinc/48/91/70/564489170.db2.gz QBCDYGXOQWYQIZ-ZIAGYGMSSA-N 1 0 396.329 2.558 20 0 GFADRO CC(=O)N[C@]1(c2nc(Cc3ccccc3Br)cs2)CC[NH2+]C1 ZINC000570093032 564491098 /nfs/dbraw/zinc/49/10/98/564491098.db2.gz GMDZAUVWDYVRGJ-MRXNPFEDSA-N 1 0 380.311 2.821 20 0 GFADRO O=C(C[NH2+][C@@H](c1cc(F)cc(Br)c1)C1CC1)NC1CCOCC1 ZINC000547517846 564491651 /nfs/dbraw/zinc/49/16/51/564491651.db2.gz ONXDQBJAVDNVCY-QGZVFWFLSA-N 1 0 385.277 2.924 20 0 GFADRO Cc1cc(N2CC[C@H](NC(=O)[C@H]3CCCCC[NH2+]3)C2=O)ccc1Br ZINC000516067955 564492449 /nfs/dbraw/zinc/49/24/49/564492449.db2.gz NWUQGWZGLLISNT-CVEARBPZSA-N 1 0 394.313 2.511 20 0 GFADRO Cc1sc2ccc(Cl)cc2c1S(=O)(=O)NCCOCC[NH+](C)C ZINC000570127485 564492497 /nfs/dbraw/zinc/49/24/97/564492497.db2.gz PLJZYKWSJWQDFF-UHFFFAOYSA-N 1 0 376.931 2.720 20 0 GFADRO C[C@H](CNS(=O)(=O)c1ccc(OC(F)F)c(F)c1)[N@@H+]1CCC[C@H](C)C1 ZINC000570154469 564493400 /nfs/dbraw/zinc/49/34/00/564493400.db2.gz AQIOUKUQSMPHKA-NWDGAFQWSA-N 1 0 380.432 2.826 20 0 GFADRO CC[NH+](CC)CCNC(=O)Nc1cc(Br)ccc1OCCOC ZINC000480895984 564494857 /nfs/dbraw/zinc/49/48/57/564494857.db2.gz VSJGHBLZDXTUEL-UHFFFAOYSA-N 1 0 388.306 2.938 20 0 GFADRO CO[C@@H]1CCN(C(=O)CSc2ccc(Br)cc2C)[C@@H](C[NH3+])C1 ZINC000516174406 564494917 /nfs/dbraw/zinc/49/49/17/564494917.db2.gz FYLLJOJFSOPJSE-ZIAGYGMSSA-N 1 0 387.343 2.814 20 0 GFADRO CCN(CCC[NH2+][C@@H](C)c1ccc(OCC(F)(F)F)cc1)S(C)(=O)=O ZINC000480909009 564494916 /nfs/dbraw/zinc/49/49/16/564494916.db2.gz GURIJFSUVOKVCL-ZDUSSCGKSA-N 1 0 382.448 2.950 20 0 GFADRO COc1c(Cl)cc(NC(=O)C(=O)NCC[N@@H+]2CCCC2(C)C)cc1Cl ZINC000454065654 564495533 /nfs/dbraw/zinc/49/55/33/564495533.db2.gz FYZOLEHBKOVOJU-UHFFFAOYSA-N 1 0 388.295 2.931 20 0 GFADRO CC1=CC[N@H+](CCNC(=O)c2cnnn2-c2c(Cl)cccc2Cl)CC1 ZINC000480930958 564496447 /nfs/dbraw/zinc/49/64/47/564496447.db2.gz JEARSCPBKMMWBK-UHFFFAOYSA-N 1 0 380.279 2.956 20 0 GFADRO Cc1cscc1NC(=O)C(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000454092053 564496794 /nfs/dbraw/zinc/49/67/94/564496794.db2.gz JFPZENOBJQYZJA-UHFFFAOYSA-N 1 0 377.432 2.870 20 0 GFADRO O=C(Nc1nc(SCc2ccccc2)ns1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000570262273 564498441 /nfs/dbraw/zinc/49/84/41/564498441.db2.gz DNVMNKFDZNPULM-UONOGXRCSA-N 1 0 375.523 2.904 20 0 GFADRO Cc1c(Br)cccc1CNC(=O)Nc1ccnn1CC[NH+](C)C ZINC000570292515 564499901 /nfs/dbraw/zinc/49/99/01/564499901.db2.gz SJCKICIGVCMZAN-UHFFFAOYSA-N 1 0 380.290 2.837 20 0 GFADRO CC(C)[C@@H]1CN(C(=O)c2cnnn2-c2c(Cl)cccc2Cl)CC[N@@H+]1C ZINC000481120335 564503968 /nfs/dbraw/zinc/50/39/68/564503968.db2.gz XSJKDMZHLDSQMO-HNNXBMFYSA-N 1 0 382.295 2.986 20 0 GFADRO COCCO[C@@H]1COCC[C@H]1[NH2+][C@@H](C)c1ccc(OC)cc1Br ZINC000547618779 564504357 /nfs/dbraw/zinc/50/43/57/564504357.db2.gz UCIDEVKGZGFANB-JCURWCKSSA-N 1 0 388.302 2.929 20 0 GFADRO CC(C)COC[C@H](O)C[NH2+][C@@H](C)c1ccccc1I ZINC000481169935 564504953 /nfs/dbraw/zinc/50/49/53/564504953.db2.gz CNSXIRPUEJMACV-QWHCGFSZSA-N 1 0 377.266 2.975 20 0 GFADRO C[C@H](NC(=O)[C@H]1CC(=O)Nc2ccc(Br)cc21)C1=CC[N@H+](C)CC1 ZINC000570496509 564507992 /nfs/dbraw/zinc/50/79/92/564507992.db2.gz VDUGWEODDDXWNI-NHYWBVRUSA-N 1 0 392.297 2.642 20 0 GFADRO C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000516651969 564509143 /nfs/dbraw/zinc/50/91/43/564509143.db2.gz MVBQWRASYNULGI-XIKOKIGWSA-N 1 0 384.307 2.714 20 0 GFADRO CC(C)C[C@@](C)(C[NH3+])NC(=O)c1c(F)cccc1I ZINC000516861874 564514485 /nfs/dbraw/zinc/51/44/85/564514485.db2.gz SILGCFFOGOPUOQ-AWEZNQCLSA-N 1 0 378.229 2.924 20 0 GFADRO C[C@H](Oc1ccc(F)cc1Br)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000570625315 564514593 /nfs/dbraw/zinc/51/45/93/564514593.db2.gz NKLDOQJYAUETOZ-MEDZGJRSSA-N 1 0 385.277 2.941 20 0 GFADRO CC[NH+](CC)[C@H](C)CNC(=O)NCCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000454606757 564516470 /nfs/dbraw/zinc/51/64/70/564516470.db2.gz DMFNHHINFOBOGN-CQSZACIVSA-N 1 0 389.949 2.533 20 0 GFADRO CCc1nn(C)cc1C[NH2+][C@H](CC)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000481655849 564519120 /nfs/dbraw/zinc/51/91/20/564519120.db2.gz FOUSBZLYNPRMPV-OAHLLOKOSA-N 1 0 384.933 2.785 20 0 GFADRO CNS(=O)(=O)CCC[NH2+][C@@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000481749389 564521291 /nfs/dbraw/zinc/52/12/91/564521291.db2.gz NASGANYKUAFXLB-CQSZACIVSA-N 1 0 379.295 2.568 20 0 GFADRO [NH3+]C[C@@H]1CCCN(C(=O)Nc2cnn(-c3ccccc3Br)c2)C1 ZINC000570811058 564522353 /nfs/dbraw/zinc/52/23/53/564522353.db2.gz JNNWPKKAZGBNQX-LBPRGKRZSA-N 1 0 378.274 2.837 20 0 GFADRO CN(C)S(=O)(=O)CCC[NH2+][C@@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000481769676 564523567 /nfs/dbraw/zinc/52/35/67/564523567.db2.gz QFFMELIZAIDFIK-OAHLLOKOSA-N 1 0 393.322 2.910 20 0 GFADRO C[C@H](CNC(=O)CNC(=O)c1sc2ccccc2c1Cl)[NH+]1CCCC1 ZINC000517077045 564524481 /nfs/dbraw/zinc/52/44/81/564524481.db2.gz UEDULHWADZEOOB-GFCCVEGCSA-N 1 0 379.913 2.885 20 0 GFADRO CC[C@@H]([NH2+]CCN1CCCS1(=O)=O)c1cc(F)cc(Br)c1 ZINC000547947662 564525178 /nfs/dbraw/zinc/52/51/78/564525178.db2.gz IGCWORVSINEKIE-CQSZACIVSA-N 1 0 379.295 2.664 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000517139241 564525117 /nfs/dbraw/zinc/52/51/17/564525117.db2.gz CWBKTCSPYRNHAK-VXGBXAGGSA-N 1 0 385.306 2.511 20 0 GFADRO C[NH+](C)CC(C)(C)NC(=O)Nc1ccc(F)cc1I ZINC000454928322 564528690 /nfs/dbraw/zinc/52/86/90/564528690.db2.gz PRNVDTYBJNBFSS-UHFFFAOYSA-N 1 0 379.217 2.892 20 0 GFADRO C[C@@H]1C[C@@H](C[NH3+])CN1S(=O)(=O)Cc1ccc(Cl)cc1Br ZINC000517235194 564529270 /nfs/dbraw/zinc/52/92/70/564529270.db2.gz FYZBPKJLYANVCG-ZJUUUORDSA-N 1 0 381.723 2.601 20 0 GFADRO Cc1noc(C)c1CC[NH2+]CCS(=O)(=O)c1cccc(Br)c1 ZINC000517359542 564532124 /nfs/dbraw/zinc/53/21/24/564532124.db2.gz HFMVZRNGZRDHPQ-UHFFFAOYSA-N 1 0 387.299 2.660 20 0 GFADRO N[C@](C(=O)N1CC[C@@H]([NH+]2CCCC2)C1)(c1cccc(Cl)c1)C(F)(F)F ZINC000548192533 564535194 /nfs/dbraw/zinc/53/51/94/564535194.db2.gz NYYXOACCOKMDCW-ZBFHGGJFSA-N 1 0 375.822 2.753 20 0 GFADRO C[C@H](C(=O)NCC(=O)Nc1cccc(Br)c1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000482165334 564536683 /nfs/dbraw/zinc/53/66/83/564536683.db2.gz CRXIELMOALTZOQ-FRRDWIJNSA-N 1 0 382.302 2.765 20 0 GFADRO O=C(Nc1ccn(-c2ccc(Cl)cc2Cl)n1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000571146303 564538186 /nfs/dbraw/zinc/53/81/86/564538186.db2.gz IDQSEZJAGBQTJL-BXUZGUMPSA-N 1 0 380.279 3.395 20 0 GFADRO Cc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1ccccc1I)CC2 ZINC000482233159 564539567 /nfs/dbraw/zinc/53/95/67/564539567.db2.gz DXTQIYVOYRKUBU-JQWIXIFHSA-N 1 0 382.249 2.857 20 0 GFADRO COCC[N@H+](C)CCN[C@@H](C)c1nnn(-c2cccc(Br)c2)c1C ZINC000482247440 564540187 /nfs/dbraw/zinc/54/01/87/564540187.db2.gz MDVGRASJOAKGEX-ZDUSSCGKSA-N 1 0 396.333 2.567 20 0 GFADRO COc1cc2[nH+]ccc(N3CC[C@H]4[C@@H](C3)NC(=O)N4C)c2cc1Br ZINC000517734535 564540989 /nfs/dbraw/zinc/54/09/89/564540989.db2.gz YQATVPWCECNEFY-HIFRSBDPSA-N 1 0 391.269 2.608 20 0 GFADRO C[N@@H+]1CCN(C(=O)c2cc(=O)[nH]c3c(Br)cccc23)CC1(C)C ZINC000517781814 564542158 /nfs/dbraw/zinc/54/21/58/564542158.db2.gz HWCROFQROXQRPC-UHFFFAOYSA-N 1 0 378.270 2.869 20 0 GFADRO Cc1nc(CNC(=O)N2C[C@H]3CCCC[N@H+]3C[C@H]2C)sc1Br ZINC000455201503 564542666 /nfs/dbraw/zinc/54/26/66/564542666.db2.gz ANMJLHXUDUHALI-ZYHUDNBSSA-N 1 0 387.347 2.982 20 0 GFADRO CCO[C@@H]1C[C@H]([NH2+]Cc2cnn(-c3ccc(Br)cc3)c2)[C@H]1OC ZINC000482506394 564543420 /nfs/dbraw/zinc/54/34/20/564543420.db2.gz HXRNWPDJXSOMFP-GVDBMIGSSA-N 1 0 380.286 2.917 20 0 GFADRO COCCOc1ccc(Br)cc1NC(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000571298079 564544512 /nfs/dbraw/zinc/54/45/12/564544512.db2.gz QHLAWUHVSQCLAT-TZMCWYRMSA-N 1 0 398.301 2.690 20 0 GFADRO Cc1[nH]c(=O)sc1S(=O)(=O)NCC[NH2+]Cc1ccc(C(C)(C)C)s1 ZINC000482526520 564544686 /nfs/dbraw/zinc/54/46/86/564544686.db2.gz SXNWOJYHKFJARP-UHFFFAOYSA-N 1 0 389.568 2.584 20 0 GFADRO CN(Cc1c(F)cccc1Cl)S(=O)(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000518089258 564545942 /nfs/dbraw/zinc/54/59/42/564545942.db2.gz FPIZNHUCXGQGTL-AWEZNQCLSA-N 1 0 389.924 2.716 20 0 GFADRO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)C(=O)Nc1cccc(Br)c1 ZINC000518103895 564546745 /nfs/dbraw/zinc/54/67/45/564546745.db2.gz LQATXEVRDYAUID-STQMWFEESA-N 1 0 382.302 2.767 20 0 GFADRO Cc1c(Br)ccc(NC(=O)NC[C@@H]2CCCC[N@@H+]2CCO)c1F ZINC000455295784 564547809 /nfs/dbraw/zinc/54/78/09/564547809.db2.gz FIYANLVQVSGJER-LBPRGKRZSA-N 1 0 388.281 2.865 20 0 GFADRO COc1ccc(Br)c(C[N@@H+]2CC[C@@H](C(=O)NCC(F)(F)F)C2)c1 ZINC000548312887 564547962 /nfs/dbraw/zinc/54/79/62/564547962.db2.gz CHUKVJIXPFUQFQ-SNVBAGLBSA-N 1 0 395.219 2.958 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+][C@@H]1CCCS(=O)(=O)C1 ZINC000482727366 564549003 /nfs/dbraw/zinc/54/90/03/564549003.db2.gz WRKNLKJRMXTTMP-OAHLLOKOSA-N 1 0 398.326 2.610 20 0 GFADRO CNC(=O)CCCCC(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000548335886 564549022 /nfs/dbraw/zinc/54/90/22/564549022.db2.gz CQZKEMUJUWGTJP-UHFFFAOYSA-N 1 0 398.345 2.646 20 0 GFADRO C[C@@H](CNS(=O)(=O)c1cc(Br)ccc1Cl)[NH+]1CCCC1 ZINC000548369379 564550330 /nfs/dbraw/zinc/55/03/30/564550330.db2.gz ZDCPCNSZRNTFNS-JTQLQIEISA-N 1 0 381.723 2.865 20 0 GFADRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)[C@H](c1ccc(Br)cc1)N1CCCC1 ZINC000571441866 564551986 /nfs/dbraw/zinc/55/19/86/564551986.db2.gz OIUFBRDXICQCEG-JQFCIGGWSA-N 1 0 380.330 2.843 20 0 GFADRO O=C(c1cc2sccc2s1)N1CCN(C(=O)[C@@H]2CCCCC[NH2+]2)CC1 ZINC000518377072 564552456 /nfs/dbraw/zinc/55/24/56/564552456.db2.gz QKXFJTRQWFZRFW-ZDUSSCGKSA-N 1 0 377.535 2.779 20 0 GFADRO CCC(=O)N(CCN1CC[NH+](C)CC1)Cc1ccc(Br)cc1F ZINC000482879906 564552821 /nfs/dbraw/zinc/55/28/21/564552821.db2.gz IWDCVBXZWLLVMQ-UHFFFAOYSA-N 1 0 386.309 2.574 20 0 GFADRO C[C@@H]1CN(CCO)CCN1C(=O)Nc1cc(F)c(Br)c(Cl)c1 ZINC000455426990 564553380 /nfs/dbraw/zinc/55/33/80/564553380.db2.gz FCGVRQVYIFHSNG-SECBINFHSA-N 1 0 394.672 2.772 20 0 GFADRO CSC1(CNS(=O)(=O)Cc2ccc(Cl)c(F)c2)CC[NH+](C)CC1 ZINC000571485457 564553327 /nfs/dbraw/zinc/55/33/27/564553327.db2.gz JMBLAUOWULXDHE-UHFFFAOYSA-N 1 0 380.938 2.726 20 0 GFADRO O=S1(=O)CC[C@H]([NH2+]CCc2nccs2)c2cc(Br)ccc21 ZINC000548483850 564553925 /nfs/dbraw/zinc/55/39/25/564553925.db2.gz HOLXGIXNTXQESI-LBPRGKRZSA-N 1 0 387.324 2.956 20 0 GFADRO O=S1(=O)CC[C@H]([NH2+]CCc2ccccn2)c2cc(Br)ccc21 ZINC000548490320 564553928 /nfs/dbraw/zinc/55/39/28/564553928.db2.gz FSQXJQXWBAEIMB-HNNXBMFYSA-N 1 0 381.295 2.895 20 0 GFADRO CCO[C@@H](CC[NH+](C)C)CNS(=O)(=O)c1ccc(C(F)(F)F)c(C)c1 ZINC000518445434 564554163 /nfs/dbraw/zinc/55/41/63/564554163.db2.gz KADWLGRCUGBPGM-ZDUSSCGKSA-N 1 0 382.448 2.649 20 0 GFADRO C[C@@H](OC[C@@H](O)C[NH2+]CCc1cn2c(n1)SCC2)c1ccc(Cl)cc1 ZINC000571517088 564554797 /nfs/dbraw/zinc/55/47/97/564554797.db2.gz DWJKJLQBFDFWDS-DYVFJYSZSA-N 1 0 381.929 2.913 20 0 GFADRO CC[C@H](C(=O)N(CCO)Cc1ccc(Br)s1)[NH+](CC)CC ZINC000482983041 564555047 /nfs/dbraw/zinc/55/50/47/564555047.db2.gz RMYWFZSKIMYQCS-CYBMUJFWSA-N 1 0 377.348 2.952 20 0 GFADRO NCc1nc(C(=O)N(CC[NH+]2CCCC2)Cc2ccc(Cl)cc2)cs1 ZINC000518537157 564555925 /nfs/dbraw/zinc/55/59/25/564555925.db2.gz YEZZOZDSQGVDOM-UHFFFAOYSA-N 1 0 378.929 2.993 20 0 GFADRO CC(C)C[C@](C)([NH2+]CC(=O)N1CCNC1=O)c1cccc(Br)c1 ZINC000483043309 564557132 /nfs/dbraw/zinc/55/71/32/564557132.db2.gz QYMMKGQAIBPDSA-KRWDZBQOSA-N 1 0 382.302 2.852 20 0 GFADRO COC1CC[NH+](C(C)(C)CNS(=O)(=O)c2ccc(Cl)cc2F)CC1 ZINC000518619815 564558074 /nfs/dbraw/zinc/55/80/74/564558074.db2.gz HIZITJUWIULTHL-UHFFFAOYSA-N 1 0 378.897 2.647 20 0 GFADRO COCCN(CC[NH+](C)C)C(=O)Nc1ccc(Br)c(C2CC2)n1 ZINC000455599417 564558748 /nfs/dbraw/zinc/55/87/48/564558748.db2.gz PPUMECODSXLVLC-UHFFFAOYSA-N 1 0 385.306 2.763 20 0 GFADRO O=C(COc1ccc(F)cc1Br)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000571633565 564559572 /nfs/dbraw/zinc/55/95/72/564559572.db2.gz HEQLPDNRZANLHV-GOEBONIOSA-N 1 0 393.256 2.839 20 0 GFADRO C[NH+](C)CCn1nccc1NC(=O)N[C@H](CO)c1c(Cl)cccc1Cl ZINC000455644013 564562345 /nfs/dbraw/zinc/56/23/45/564562345.db2.gz FOPDXDKEJYCAOL-CYBMUJFWSA-N 1 0 386.283 2.607 20 0 GFADRO O=C1NCCN(CCC[NH+]2CCCCC2)[C@H]1c1ccc(Br)cc1 ZINC000483286626 564563053 /nfs/dbraw/zinc/56/30/53/564563053.db2.gz SCTATJNITDWRSH-KRWDZBQOSA-N 1 0 380.330 2.798 20 0 GFADRO COCC[C@H](COC)[NH2+]Cc1cc(Br)cc(Br)c1N ZINC000518848347 564563727 /nfs/dbraw/zinc/56/37/27/564563727.db2.gz BNMMYXHQXHPWNW-LLVKDONJSA-N 1 0 396.123 2.935 20 0 GFADRO [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)NCCc1cc(Br)ccc1F ZINC000518938682 564565243 /nfs/dbraw/zinc/56/52/43/564565243.db2.gz BWRLZCFUGKNOKT-FFMGESDNSA-N 1 0 384.293 2.946 20 0 GFADRO O=C([C@H](c1ccc(Br)cc1)N1CCCC1)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000571797577 564567108 /nfs/dbraw/zinc/56/71/08/564567108.db2.gz XGLJQYUFKVOEIO-NUJGCVRESA-N 1 0 392.341 2.654 20 0 GFADRO COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000483460340 564568394 /nfs/dbraw/zinc/56/83/94/564568394.db2.gz XPGMWFOEDQGBOZ-UHFFFAOYSA-N 1 0 388.295 2.931 20 0 GFADRO COCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](CCOc2cccc(Br)c2)C1 ZINC000519051722 564568395 /nfs/dbraw/zinc/56/83/95/564568395.db2.gz RGBCALALFUUUHL-LSDHHAIUSA-N 1 0 399.329 2.691 20 0 GFADRO Cc1ccc(F)c(Br)c1NC(=O)N[C@@H](C)CN1CC[NH+](C)CC1 ZINC000455744783 564568757 /nfs/dbraw/zinc/56/87/57/564568757.db2.gz FMUOKYHZZNLBKF-LBPRGKRZSA-N 1 0 387.297 2.654 20 0 GFADRO COc1cc[nH+]c(N2CCN(C(=O)c3ccc(Br)cc3F)CC2)c1 ZINC000519136212 564570198 /nfs/dbraw/zinc/57/01/98/564570198.db2.gz TWUPBXFWUSRSLW-UHFFFAOYSA-N 1 0 394.244 2.954 20 0 GFADRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)NCCNc1ncc(C(F)(F)F)cc1Cl ZINC000519117999 564570242 /nfs/dbraw/zinc/57/02/42/564570242.db2.gz VRUNYLJCGSRIFT-VHSXEESVSA-N 1 0 379.814 2.544 20 0 GFADRO [NH3+]CC[C@@H]1CCCN(C(=O)c2cn(-c3ccc(Br)cc3)cn2)C1 ZINC000571917627 564572499 /nfs/dbraw/zinc/57/24/99/564572499.db2.gz FHMYVLQMAKKWCX-ZDUSSCGKSA-N 1 0 377.286 2.836 20 0 GFADRO C[C@H]([NH2+]C1CC1)C(=O)NCC1(c2cccc(Br)c2)CCOCC1 ZINC000571915905 564572538 /nfs/dbraw/zinc/57/25/38/564572538.db2.gz OOKYAUGWXYBEGK-ZDUSSCGKSA-N 1 0 381.314 2.754 20 0 GFADRO COCC[N@@H+]1CC[C@H](NC(=O)Cn2c(C)c(Br)c3ccccc32)C1 ZINC000519365945 564576170 /nfs/dbraw/zinc/57/61/70/564576170.db2.gz CTUPZMJGODVACL-AWEZNQCLSA-N 1 0 394.313 2.549 20 0 GFADRO C[C@@H](CNC(=O)N1CC[N@H+](C)CC[C@@H]1C)Oc1ccccc1Br ZINC000483983325 564579801 /nfs/dbraw/zinc/57/98/01/564579801.db2.gz RHIGFNHGMMNAJP-KBPBESRZSA-N 1 0 384.318 2.952 20 0 GFADRO Nc1ccc(CNC(=O)Nc2cnn(-c3ncc(Cl)cc3Cl)c2)cn1 ZINC000548955516 564581854 /nfs/dbraw/zinc/58/18/54/564581854.db2.gz CFSNDKXQFBGCEK-UHFFFAOYSA-N 1 0 378.223 2.873 20 0 GFADRO C[C@@H]([NH2+]C[C@H](C)CN1CCOCC1)c1ccccc1I ZINC000484147528 564582510 /nfs/dbraw/zinc/58/25/10/564582510.db2.gz SFGDABASKPZZIY-UONOGXRCSA-N 1 0 388.293 2.910 20 0 GFADRO CS(=O)(=O)C1CCC([NH2+]C[C@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000519596440 564583553 /nfs/dbraw/zinc/58/35/53/564583553.db2.gz MBCRMKRGBHASET-MOKVOYLWSA-N 1 0 396.336 2.679 20 0 GFADRO CC[NH+](CC)[C@@H](CNC(=O)Nc1nnc(OC)s1)c1ccccc1Cl ZINC000549014634 564583595 /nfs/dbraw/zinc/58/35/95/564583595.db2.gz RMWSGDTWCJQLLK-ZDUSSCGKSA-N 1 0 383.905 3.405 20 0 GFADRO OC[C@@H](C[NH2+]C[C@@H](O)Cc1ccc(F)cc1)Cc1ccc(Br)cc1 ZINC000519645535 564585379 /nfs/dbraw/zinc/58/53/79/564585379.db2.gz BRFHIFJDZDBAHZ-APWZRJJASA-N 1 0 396.300 2.932 20 0 GFADRO CC(C)C[NH+]1CCN(C(=O)Nc2cnc3c(Br)cccn23)CC1 ZINC000572237263 564586250 /nfs/dbraw/zinc/58/62/50/564586250.db2.gz CLXGEFTWXQOOEG-UHFFFAOYSA-N 1 0 380.290 2.902 20 0 GFADRO OCC[C@@H](C[NH2+]C[C@H](O)COc1ccc(Br)cc1)c1ccccc1 ZINC000572243063 564586325 /nfs/dbraw/zinc/58/63/25/564586325.db2.gz KAWLEELTHUHTAB-WMZOPIPTSA-N 1 0 394.309 2.945 20 0 GFADRO Cc1cc(NC(=O)CC[NH2+]CC2(c3ccccc3Br)CC2)no1 ZINC000572274763 564587549 /nfs/dbraw/zinc/58/75/49/564587549.db2.gz MQLPCFKZQUYXMB-UHFFFAOYSA-N 1 0 378.270 3.396 20 0 GFADRO COCCN(C)C[C@H](O)C[NH2+][C@@](C)(c1ccc(Br)cc1)C(C)C ZINC000519703850 564587585 /nfs/dbraw/zinc/58/75/85/564587585.db2.gz LCJZPQJUVHIRJZ-QZTJIDSGSA-N 1 0 387.362 2.849 20 0 GFADRO C[C@@H]([NH2+]C[C@@]1(CCO)CCOC1)c1ccccc1I ZINC000484498935 564589239 /nfs/dbraw/zinc/58/92/39/564589239.db2.gz AFLSUPQFYJKICW-IUODEOHRSA-N 1 0 375.250 2.731 20 0 GFADRO C[C@]([NH3+])(C(=O)N[C@@H]1[C@H]2CCO[C@H]2C12CCC2)c1ccc(Br)cc1 ZINC000572365525 564591210 /nfs/dbraw/zinc/59/12/10/564591210.db2.gz WAYNGAKHMDGQQK-KCYZZUKISA-N 1 0 379.298 2.697 20 0 GFADRO CC[C@H]([NH3+])CNC(=O)Cc1ccc(NC(=O)c2ccc(Br)o2)cc1 ZINC000572362461 564591346 /nfs/dbraw/zinc/59/13/46/564591346.db2.gz MBXVUAJBKZLRRP-LBPRGKRZSA-N 1 0 394.269 2.690 20 0 GFADRO C[C@H]([NH3+])C[C@H](C)NC(=O)c1nnn(-c2ccc(Br)cc2)c1C1CC1 ZINC000519816857 564592066 /nfs/dbraw/zinc/59/20/66/564592066.db2.gz JBNRNYRKUGVTHT-QWRGUYRKSA-N 1 0 392.301 2.763 20 0 GFADRO C[C@@H](c1ccccc1Br)N(C)C(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC000572401563 564592937 /nfs/dbraw/zinc/59/29/37/564592937.db2.gz PKLKZHNGOLHBTD-LBPRGKRZSA-N 1 0 392.301 2.798 20 0 GFADRO CCO[C@H]1COCC[C@H]1[NH2+]CCS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000484646576 564593897 /nfs/dbraw/zinc/59/38/97/564593897.db2.gz XVIMXYGNPRFFDQ-KGLIPLIRSA-N 1 0 382.309 2.551 20 0 GFADRO CC[NH+](CC)CCN(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)N(C)C ZINC000519997224 564595964 /nfs/dbraw/zinc/59/59/64/564595964.db2.gz BQBTYWNOIHZFKN-UHFFFAOYSA-N 1 0 382.357 2.944 20 0 GFADRO CC[NH+](CC)C[C@H](C)NC(=O)Cc1csc(NC(=O)c2cccs2)n1 ZINC000519994885 564596307 /nfs/dbraw/zinc/59/63/07/564596307.db2.gz BYVGOYATGXZPGZ-LBPRGKRZSA-N 1 0 380.539 2.846 20 0 GFADRO CC[N@@H+]1CC[C@H]2OCCN(c3ncnc4cc(F)c(Br)cc43)[C@H]2C1 ZINC000549578569 564598483 /nfs/dbraw/zinc/59/84/83/564598483.db2.gz RGIWDQPRXMNTJQ-JKSUJKDBSA-N 1 0 395.276 2.831 20 0 GFADRO Cc1cc(NC(=O)CC[NH2+][C@H]2CCc3c2ccc(F)c3Br)no1 ZINC000572595522 564601136 /nfs/dbraw/zinc/60/11/36/564601136.db2.gz LCJLZKGLRVPLHU-ZDUSSCGKSA-N 1 0 382.233 3.490 20 0 GFADRO CS(=O)(=O)C[C@H]([NH2+][C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1)C1CC1 ZINC000572621866 564602498 /nfs/dbraw/zinc/60/24/98/564602498.db2.gz YGMZBFRFWOOPSQ-LRDDRELGSA-N 1 0 377.337 2.985 20 0 GFADRO OC[C@H]([NH2+]C[C@H](O)Cc1ccc(F)cc1)c1ccc(Br)c(F)c1 ZINC000549717590 564602944 /nfs/dbraw/zinc/60/29/44/564602944.db2.gz CPKCVFQRJHNJPE-PBHICJAKSA-N 1 0 386.236 2.954 20 0 GFADRO CCO[C@H](C)C(=O)Nc1cc(Br)ccc1N1CC[N@H+](C)C[C@@H]1C ZINC000456371025 564603228 /nfs/dbraw/zinc/60/32/28/564603228.db2.gz MZGKPRCCKKSYQC-QWHCGFSZSA-N 1 0 384.318 2.953 20 0 GFADRO CC(C)[C@H]([NH2+][C@@H]1CCc2cccc(Br)c2C1)C(=O)N1CCOCC1 ZINC000549778828 564605125 /nfs/dbraw/zinc/60/51/25/564605125.db2.gz JCKABTOMUAQLFZ-QAPCUYQASA-N 1 0 395.341 2.779 20 0 GFADRO C[C@@H](C[NH2+]Cc1ccc(S(=O)(=O)N2CCOCC2)s1)c1ccccc1 ZINC000572673518 564605281 /nfs/dbraw/zinc/60/52/81/564605281.db2.gz DJTTYJJMDJTREA-HNNXBMFYSA-N 1 0 380.535 2.662 20 0 GFADRO CSCc1cnc(C[NH2+][C@H](C)CCNS(=O)(=O)c2ccccc2)s1 ZINC000549821163 564606807 /nfs/dbraw/zinc/60/68/07/564606807.db2.gz OZIFBSJEMLSMEG-CYBMUJFWSA-N 1 0 385.580 2.853 20 0 GFADRO C[N@@H+]1CCC[C@]2(CCN(S(=O)(=O)c3ccc(CC(F)(F)F)cc3)C2)C1 ZINC000549903217 564607756 /nfs/dbraw/zinc/60/77/56/564607756.db2.gz GPNGXBLAQVUXFU-INIZCTEOSA-N 1 0 376.444 2.898 20 0 GFADRO Cc1nc(C[NH2+]C[C@@H](O)COCc2cccs2)sc1Br ZINC000572870236 564614001 /nfs/dbraw/zinc/61/40/01/564614001.db2.gz HUSPIFZUUHBNHT-SNVBAGLBSA-N 1 0 377.329 2.943 20 0 GFADRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)CNC(=O)c1ccc(Cl)cc1Cl ZINC000572909383 564615495 /nfs/dbraw/zinc/61/54/95/564615495.db2.gz PHPNFPNMENZYDH-BLLLJJGKSA-N 1 0 384.307 2.808 20 0 GFADRO [NH3+]CCC1CCN(S(=O)(=O)c2c(Cl)cc(F)cc2Br)CC1 ZINC000572967424 564616895 /nfs/dbraw/zinc/61/68/95/564616895.db2.gz FDUAGQXWIZEIKB-UHFFFAOYSA-N 1 0 399.713 2.991 20 0 GFADRO O=C(NCc1cc(Cl)cc(I)c1)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000572999167 564618744 /nfs/dbraw/zinc/61/87/44/564618744.db2.gz JFCXPRABJZACPZ-TZMCWYRMSA-N 1 0 390.652 2.560 20 0 GFADRO Cc1ccc(OCCC(=O)N[C@H]2C[NH2+]CCC2(F)F)c(Br)c1 ZINC000573002378 564619155 /nfs/dbraw/zinc/61/91/55/564619155.db2.gz JNJOWYXXWXSGFE-ZDUSSCGKSA-N 1 0 377.229 2.640 20 0 GFADRO C[C@@H](CCCOc1ccccc1C(N)=O)[NH2+]CCn1cc(Br)cn1 ZINC000521114576 564619786 /nfs/dbraw/zinc/61/97/86/564619786.db2.gz GCMPPXOAMPDDDI-ZDUSSCGKSA-N 1 0 395.301 2.582 20 0 GFADRO COCC[N@@H+]1CC[C@@H](NC(=O)c2cc(C)c(Br)c(Cl)c2)C1 ZINC000550304661 564620206 /nfs/dbraw/zinc/62/02/06/564620206.db2.gz IQIARKHFXQMCSM-GFCCVEGCSA-N 1 0 375.694 2.861 20 0 GFADRO C[C@@H](c1ccc(Cl)cc1)N1CCN(C(=O)C[N@H+](C)[C@@H]2CCSC2)CC1 ZINC000485587796 564620299 /nfs/dbraw/zinc/62/02/99/564620299.db2.gz AFUBGWSZOGYDGT-MAUKXSAKSA-N 1 0 381.973 2.983 20 0 GFADRO CC[NH+](CC)CCNC(=O)C(=O)N1CCC[C@@H]1c1cccc(Br)c1 ZINC000550327858 564620707 /nfs/dbraw/zinc/62/07/07/564620707.db2.gz ACAGRHBBPOPCRU-MRXNPFEDSA-N 1 0 396.329 2.571 20 0 GFADRO C[N@H+](CCNC(=O)C(=O)N(Cc1ccc(Cl)c(Cl)c1)C1CC1)C1CC1 ZINC000485606607 564621335 /nfs/dbraw/zinc/62/13/35/564621335.db2.gz ZUAJNJKHPXSJAW-UHFFFAOYSA-N 1 0 384.307 2.695 20 0 GFADRO O=S(=O)(CCC[NH2+]C[C@H](O)COc1ccccc1Cl)c1ccccc1 ZINC000521227427 564622541 /nfs/dbraw/zinc/62/25/41/564622541.db2.gz KJHQYFFZBKGCAU-HNNXBMFYSA-N 1 0 383.897 2.533 20 0 GFADRO COCCO[C@@H]1COCC[C@H]1[NH2+]Cc1ccc(Br)c2cccnc12 ZINC000485690683 564622809 /nfs/dbraw/zinc/62/28/09/564622809.db2.gz WKALYIFMUQSDOL-IAGOWNOFSA-N 1 0 395.297 2.907 20 0 GFADRO O=C(C[NH2+]C1(Cc2ccc(F)cc2Cl)CCOCC1)NCC(F)(F)F ZINC000550409370 564623317 /nfs/dbraw/zinc/62/33/17/564623317.db2.gz BXCSDFUPAVQVLK-UHFFFAOYSA-N 1 0 382.785 2.839 20 0 GFADRO CC[N@H+](CCNC(=O)N1CCC(n2cc(Br)cn2)CC1)C(C)C ZINC000521351244 564624392 /nfs/dbraw/zinc/62/43/92/564624392.db2.gz ULCULDJNSHIVGN-UHFFFAOYSA-N 1 0 386.338 2.722 20 0 GFADRO COCCO[C@@H]1COCC[C@@H]1[NH2+]CC1=Cc2cc(Br)ccc2OC1 ZINC000485721902 564624799 /nfs/dbraw/zinc/62/47/99/564624799.db2.gz BQBLPQBVPRJTQH-FUHWJXTLSA-N 1 0 398.297 2.635 20 0 GFADRO CC(C)(NC(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1)c1ccc(Br)cc1 ZINC000485774813 564625413 /nfs/dbraw/zinc/62/54/13/564625413.db2.gz KFGWYLISWPIZNV-LLVKDONJSA-N 1 0 377.286 2.914 20 0 GFADRO O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@H]1CC(=O)Nc2ccc(Br)cc21 ZINC000485752175 564625682 /nfs/dbraw/zinc/62/56/82/564625682.db2.gz SEZXQXAARFNJOK-GUTXKFCHSA-N 1 0 392.297 2.618 20 0 GFADRO CC[NH+]1CCC(N2CCCN(S(=O)(=O)c3sc(C)cc3C)CC2)CC1 ZINC000573202722 564628033 /nfs/dbraw/zinc/62/80/33/564628033.db2.gz CULYURZPLFAZGY-UHFFFAOYSA-N 1 0 385.599 2.546 20 0 GFADRO CC[C@H]([NH2+]CCCS(=O)(=O)N(C)C)c1cc(F)cc(Br)c1 ZINC000485850789 564628341 /nfs/dbraw/zinc/62/83/41/564628341.db2.gz OHOGLFSJQUVDPW-AWEZNQCLSA-N 1 0 381.311 2.910 20 0 GFADRO O[C@@H](COc1c(Cl)cccc1Cl)CN1CCO[C@@H](COCC2CC2)C1 ZINC000485878815 564629390 /nfs/dbraw/zinc/62/93/90/564629390.db2.gz COZYQPOGGAHJFI-HUUCEWRRSA-N 1 0 390.307 2.861 20 0 GFADRO C[C@@H](C(=O)NC(C)(C)C)N(C)C[C@@H](O)COc1ccc(Cl)cc1Cl ZINC000485880741 564629546 /nfs/dbraw/zinc/62/95/46/564629546.db2.gz JSCWZNKZRDREJJ-WCQYABFASA-N 1 0 377.312 2.968 20 0 GFADRO O=C(NCc1c(Cl)cccc1Cl)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000550722722 564629752 /nfs/dbraw/zinc/62/97/52/564629752.db2.gz GQTRZOPWZKNPDS-UHFFFAOYSA-N 1 0 384.307 2.600 20 0 GFADRO CC(C)(C)[C@@H](O)C[N@@H+]1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000550713047 564629832 /nfs/dbraw/zinc/62/98/32/564629832.db2.gz SFDNJXFHXAEYDI-OCCSQVGLSA-N 1 0 384.318 2.902 20 0 GFADRO COc1cc[nH+]c(N2CCN(C(=O)Cc3cscc3Br)CC2)c1 ZINC000550738253 564630526 /nfs/dbraw/zinc/63/05/26/564630526.db2.gz VMECQSWUYZFHAW-UHFFFAOYSA-N 1 0 396.310 2.806 20 0 GFADRO CSC[C@H](O)C[NH2+][C@@H](c1ccc(C)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000521611668 564631467 /nfs/dbraw/zinc/63/14/67/564631467.db2.gz GPQCARMLRXXORH-MJGOQNOKSA-N 1 0 379.547 2.801 20 0 GFADRO COc1cc(Br)c(Cl)cc1C(=O)NC[C@](C)(O)CC[NH+](C)C ZINC000521629702 564632478 /nfs/dbraw/zinc/63/24/78/564632478.db2.gz PSGJRWQDLDTXNU-OAHLLOKOSA-N 1 0 393.709 2.544 20 0 GFADRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)C(=O)NCc1cccc(Cl)c1Cl ZINC000550817110 564632492 /nfs/dbraw/zinc/63/24/92/564632492.db2.gz ORYWMYCBQSOATI-BETUJISGSA-N 1 0 386.323 2.989 20 0 GFADRO O=C(NCc1ccc(I)c(Cl)c1)C1CC[NH2+]CC1 ZINC000573322056 564633000 /nfs/dbraw/zinc/63/30/00/564633000.db2.gz JYMHGUGBWZEIHK-UHFFFAOYSA-N 1 0 378.641 2.560 20 0 GFADRO O[C@@H](C[NH2+]CC1CCN(CC(F)(F)F)CC1)COc1ccccc1Cl ZINC000573438386 564637393 /nfs/dbraw/zinc/63/73/93/564637393.db2.gz BAUAVJNXCDPCRZ-AWEZNQCLSA-N 1 0 380.838 2.944 20 0 GFADRO C[C@@H]1CC[N@H+](CCNC(=O)c2cc(=O)[nH]c3c(Br)cccc23)C1 ZINC000573422993 564637677 /nfs/dbraw/zinc/63/76/77/564637677.db2.gz BOOVKHKXXVYBSO-LLVKDONJSA-N 1 0 378.270 2.775 20 0 GFADRO Cc1ccsc1CNC(=O)C[NH2+][C@@H](C)C1CCN(CC(F)(F)F)CC1 ZINC000573454918 564638275 /nfs/dbraw/zinc/63/82/75/564638275.db2.gz CZHDDJGYCHGHSX-ZDUSSCGKSA-N 1 0 377.476 2.925 20 0 GFADRO C[C@@H]1C[C@H](NS(=O)(=O)c2cccc(Br)c2Cl)CC[N@@H+]1C ZINC000551161461 564640023 /nfs/dbraw/zinc/64/00/23/564640023.db2.gz YSNCBGLBVWQLQN-NXEZZACHSA-N 1 0 381.723 2.864 20 0 GFADRO C[NH+](C)C[C@H]1CCCN1C(=O)[C@H]1CCN(c2cc(Cl)ccc2Cl)C1=O ZINC000486202217 564642858 /nfs/dbraw/zinc/64/28/58/564642858.db2.gz BMQAHCJWVSVHHA-ZIAGYGMSSA-N 1 0 384.307 2.899 20 0 GFADRO Cn1ccnc1Sc1ncc(C(=O)NCCC[C@@H]2CCC[NH2+]2)cc1Cl ZINC000573562941 564644387 /nfs/dbraw/zinc/64/43/87/564644387.db2.gz LWBQMIDIOVOSDT-ZDUSSCGKSA-N 1 0 379.917 2.882 20 0 GFADRO O=C1CC[C@H]([NH2+]Cc2cn(-c3ccc(Cl)cc3Cl)nn2)[C@@H](C2CC2)N1 ZINC000551270292 564644458 /nfs/dbraw/zinc/64/44/58/564644458.db2.gz FQCMJBIHBXEGKK-WMLDXEAASA-N 1 0 380.279 2.721 20 0 GFADRO O=S(=O)(CC[NH2+][C@@H]1CCC[C@H]2OCC[C@H]21)c1cccc(Br)c1 ZINC000573597821 564645268 /nfs/dbraw/zinc/64/52/68/564645268.db2.gz WHYBMSPOLVITNH-ARFHVFGLSA-N 1 0 388.327 2.770 20 0 GFADRO COCCN1CC[C@H]([NH2+]Cc2nc(-c3ccc(Br)cc3)c[nH]2)C1 ZINC000522137210 564645717 /nfs/dbraw/zinc/64/57/17/564645717.db2.gz DDWXFEWQITWRGO-HNNXBMFYSA-N 1 0 379.302 2.650 20 0 GFADRO CN(CC(F)(F)F)C(=O)C[NH2+][C@H](c1cncc(Br)c1)C1CC1 ZINC000551417411 564649003 /nfs/dbraw/zinc/64/90/03/564649003.db2.gz AIODWTNBMSYKOI-ZDUSSCGKSA-N 1 0 380.208 2.906 20 0 GFADRO C[C@H](CNC(=O)CSc1cccc(C(F)(F)F)c1)N1CC[NH+](C)CC1 ZINC000522265545 564649244 /nfs/dbraw/zinc/64/92/44/564649244.db2.gz WWQUVKGJMSSGHU-CYBMUJFWSA-N 1 0 375.460 2.550 20 0 GFADRO C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000486409665 564651584 /nfs/dbraw/zinc/65/15/84/564651584.db2.gz SJBOPGJFRCLQLK-IIDMSEBBSA-N 1 0 394.357 2.852 20 0 GFADRO Cc1cccc(NC(=O)C(=O)N[C@H](C)C[NH+]2CCC(C)CC2)c1Br ZINC000573742985 564651640 /nfs/dbraw/zinc/65/16/40/564651640.db2.gz CGQBUBKAWBJIGW-CQSZACIVSA-N 1 0 396.329 2.933 20 0 GFADRO CCCc1ccc(Cl)c(S(=O)(=O)NC[C@H](C)N2CC[NH+](CC)CC2)c1 ZINC000551518704 564653086 /nfs/dbraw/zinc/65/30/86/564653086.db2.gz LBDOMGOTCQPCFM-HNNXBMFYSA-N 1 0 387.977 2.597 20 0 GFADRO O=C(N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1=O)N[C@@H]1CCCC[NH2+]C1 ZINC000573786305 564654105 /nfs/dbraw/zinc/65/41/05/564654105.db2.gz SZMANRHBCXCVQI-OCCSQVGLSA-N 1 0 385.295 2.540 20 0 GFADRO CC(C)[C@@H]1CN(C(=O)NCCOc2ncc(Cl)cc2Cl)CC[N@@H+]1C ZINC000486521248 564654833 /nfs/dbraw/zinc/65/48/33/564654833.db2.gz SHFOKMRLXUZHCA-AWEZNQCLSA-N 1 0 375.300 2.749 20 0 GFADRO COC(=O)CN1CCC([NH2+]Cc2cc(Cl)ccc2Br)CC1 ZINC000573802276 564655500 /nfs/dbraw/zinc/65/55/00/564655500.db2.gz GSEWALPLARFUPV-UHFFFAOYSA-N 1 0 375.694 2.830 20 0 GFADRO CCOC(=O)[C@H](Cc1cc(Cl)cc(Cl)c1)NC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C ZINC000486611704 564658379 /nfs/dbraw/zinc/65/83/79/564658379.db2.gz RTGYYTSDGHPWLM-XZJROXQQSA-N 1 0 387.307 2.782 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CNC(=O)c1cn(Cc2ccc(Cl)cc2Cl)nn1 ZINC000457380524 564658780 /nfs/dbraw/zinc/65/87/80/564658780.db2.gz BJTWQXYNVTUBAC-AWEZNQCLSA-N 1 0 382.295 2.847 20 0 GFADRO CO[C@@H]1COC[C@H]1[NH2+][C@@H](C)CCc1ccc(I)cc1 ZINC000573919370 564659594 /nfs/dbraw/zinc/65/95/94/564659594.db2.gz IFORDUIJNXCLHH-NILFDRSVSA-N 1 0 375.250 2.616 20 0 GFADRO CN(CC(=O)Nc1ccccc1Br)C(=O)C[N@@H+]1CCC(C)(C)C1 ZINC000573978023 564662674 /nfs/dbraw/zinc/66/26/74/564662674.db2.gz BKLNVUFLGXLWGF-UHFFFAOYSA-N 1 0 382.302 2.578 20 0 GFADRO COc1cc(Cl)c(S(=O)(=O)N2CC[C@H]3CC[N@H+](C)C[C@H]32)cc1Cl ZINC000486684873 564662839 /nfs/dbraw/zinc/66/28/39/564662839.db2.gz OHNYQXMTQSSYKM-ZWNOBZJWSA-N 1 0 379.309 2.717 20 0 GFADRO Cc1nc(CNC(=O)NCCC[NH+]2CCCCC2)sc1Br ZINC000457521920 564664496 /nfs/dbraw/zinc/66/44/96/564664496.db2.gz MGBSLDLIFMDOOL-UHFFFAOYSA-N 1 0 375.336 2.889 20 0 GFADRO CC[N@@H+]1CCC[C@@H](NC(=O)c2cn(Cc3ccc(Cl)cc3Cl)nn2)C1 ZINC000457537295 564664762 /nfs/dbraw/zinc/66/47/62/564664762.db2.gz DXQQMPQVVXSTFX-CQSZACIVSA-N 1 0 382.295 2.847 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)c2cn(Cc3ccc(Cl)cc3Cl)nn2)CC[N@@H+]1C ZINC000457611759 564667372 /nfs/dbraw/zinc/66/73/72/564667372.db2.gz VHXJKMRGBAXWHV-RISCZKNCSA-N 1 0 382.295 2.846 20 0 GFADRO CCOc1cc(C[NH2+]C[C@@]2(N3CCOCC3)CCSC2)cc(Cl)c1O ZINC000574144079 564670062 /nfs/dbraw/zinc/67/00/62/564670062.db2.gz MVFAFMATUAIKCW-SFHVURJKSA-N 1 0 386.945 2.742 20 0 GFADRO CC[N@H+](CCNC(=O)[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)C1CC1 ZINC000523609806 564670326 /nfs/dbraw/zinc/67/03/26/564670326.db2.gz KZZDHSFJFGRRGH-CQSZACIVSA-N 1 0 384.307 2.947 20 0 GFADRO CCN(CC)C(=O)C[NH+]1CCC(NC(=O)CCc2ccc(Cl)s2)CC1 ZINC000552031168 564674776 /nfs/dbraw/zinc/67/47/76/564674776.db2.gz KKIKURWYOKDEOC-UHFFFAOYSA-N 1 0 385.961 2.783 20 0 GFADRO CSc1cc(C(=O)NC[C@@]2(O)C[NH+]3CCC2CC3)c(Cl)cc1Cl ZINC000552027156 564674891 /nfs/dbraw/zinc/67/48/91/564674891.db2.gz YKHXCIJUYHJKHS-MRXNPFEDSA-N 1 0 375.321 2.902 20 0 GFADRO Cc1cc(S(=O)(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)ccc1Br ZINC000487120107 564676383 /nfs/dbraw/zinc/67/63/83/564676383.db2.gz OIQPZRAHJRJWDL-STQMWFEESA-N 1 0 375.332 2.909 20 0 GFADRO C[C@H](Cc1ccc(Br)cc1)NC(=O)NC[C@@H]1CCCC[N@@H+]1CCO ZINC000457861735 564676595 /nfs/dbraw/zinc/67/65/95/564676595.db2.gz CMXOMIXOCBTBDR-PBHICJAKSA-N 1 0 398.345 2.526 20 0 GFADRO O=C([C@@H]1CCCC[N@H+]1CCOc1cccc(Br)c1)N1CCOCC1 ZINC000524177350 564678324 /nfs/dbraw/zinc/67/83/24/564678324.db2.gz ZCXFLLROQQACOH-KRWDZBQOSA-N 1 0 397.313 2.541 20 0 GFADRO COC(=O)c1ccc(C[NH2+][C@@H](C2CC2)[C@]2(CO)CCCO2)c(Br)c1 ZINC000552147159 564679320 /nfs/dbraw/zinc/67/93/20/564679320.db2.gz PBXZVBPFHVUVDO-FUHWJXTLSA-N 1 0 398.297 2.645 20 0 GFADRO CC[N@@H+]1CCCC[C@H]1CNC(=O)N(CCO)Cc1cccc(Br)c1 ZINC000487458714 564688868 /nfs/dbraw/zinc/68/88/68/564688868.db2.gz CDGXIYSKKQBGQX-KRWDZBQOSA-N 1 0 398.345 2.827 20 0 GFADRO CC[NH+]1CCN(CC(=O)N[C@H](CCOC)c2ccc(Cl)c(Cl)c2)CC1 ZINC000552397009 564689994 /nfs/dbraw/zinc/68/99/94/564689994.db2.gz NBBUVCKZIRXLKN-QGZVFWFLSA-N 1 0 388.339 2.825 20 0 GFADRO C[C@H]1C[N@H+](C)C[C@H]1C(=O)Nc1cc(Br)cc(C(=O)N2CCCC2)c1 ZINC000487567051 564691462 /nfs/dbraw/zinc/69/14/62/564691462.db2.gz CBTNBEFBZVEVLW-BLLLJJGKSA-N 1 0 394.313 2.821 20 0 GFADRO CS(=O)(=O)N1CC[C@@H]([NH2+][C@H](c2ccc(Br)cc2F)C2CC2)C1 ZINC000575130068 564692349 /nfs/dbraw/zinc/69/23/49/564692349.db2.gz JIRXQQCPCOAISL-DOMZBBRYSA-N 1 0 391.306 2.663 20 0 GFADRO CC[NH+](CC)CC(=O)N[C@H](C)c1ccc(Br)cc1OCCCO ZINC000552515858 564694045 /nfs/dbraw/zinc/69/40/45/564694045.db2.gz BCHYWAQXOVSIOM-CYBMUJFWSA-N 1 0 387.318 2.729 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(=O)NCCc2cc(Cl)cc(Cl)c2)C1 ZINC000552507732 564694077 /nfs/dbraw/zinc/69/40/77/564694077.db2.gz OJHVSLFEBOJHRD-HZPDHXFCSA-N 1 0 386.323 2.641 20 0 GFADRO C[C@@H](CNC(=O)[C@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl)C[NH+](C)C ZINC000552578327 564695519 /nfs/dbraw/zinc/69/55/19/564695519.db2.gz DQIIALLBWWYOMM-BLLLJJGKSA-N 1 0 386.323 2.912 20 0 GFADRO COc1ccc(OC)c(C[NH2+]C[C@@H](O)COc2cccc(Br)c2)c1 ZINC000552810139 564701703 /nfs/dbraw/zinc/70/17/03/564701703.db2.gz NQCKJMOBOFQQNS-OAHLLOKOSA-N 1 0 396.281 2.996 20 0 GFADRO O=C(N[C@@H]1COc2c1ccc(Cl)c2Cl)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000458460664 564702861 /nfs/dbraw/zinc/70/28/61/564702861.db2.gz IWEGMYVNICLSMF-SMDDNHRTSA-N 1 0 388.295 2.573 20 0 GFADRO CC(C)[C@@H]1CN(CC(=O)N[C@H](C)c2ccc(Br)cc2)CC[N@@H+]1C ZINC000488018089 564702986 /nfs/dbraw/zinc/70/29/86/564702986.db2.gz PWZRYSZZPIHGLX-PBHICJAKSA-N 1 0 382.346 2.898 20 0 GFADRO C[C@@H]1CC[N@H+](CCNS(=O)(=O)c2cc(Cl)ccc2Br)C1 ZINC000576177656 564706498 /nfs/dbraw/zinc/70/64/98/564706498.db2.gz OJVVRHALAPQPPV-SNVBAGLBSA-N 1 0 381.723 2.723 20 0 GFADRO O=C1[C@H](N2CC[NH2+]C[C@H]2c2ccccc2Cl)CCCN1CC(F)(F)F ZINC000576227769 564708607 /nfs/dbraw/zinc/70/86/07/564708607.db2.gz GKVIUTBLEHLDKS-CABCVRRESA-N 1 0 375.822 2.840 20 0 GFADRO CC[N@H+](Cc1cccc(Br)c1)[C@@H]1CCN(c2cnn(C)c2)C1=O ZINC000488280539 564709417 /nfs/dbraw/zinc/70/94/17/564709417.db2.gz MHOLTUBEBGPOEJ-MRXNPFEDSA-N 1 0 377.286 2.810 20 0 GFADRO C[NH+](C)C1(CNS(=O)(=O)c2ccc(Br)c(Cl)c2)CCC1 ZINC000525835949 564710197 /nfs/dbraw/zinc/71/01/97/564710197.db2.gz UBTLORXPHJMKOV-UHFFFAOYSA-N 1 0 381.723 2.865 20 0 GFADRO CS[C@H]1CN(CC(=O)Nc2nc(-c3cccs3)cs2)C[C@H]1[NH+](C)C ZINC000553314830 564715947 /nfs/dbraw/zinc/71/59/47/564715947.db2.gz BGHDTOMYGNJMTG-OCCSQVGLSA-N 1 0 382.580 2.788 20 0 GFADRO C[N@@H+]1CC[C@@H](C(=O)N[C@H](CO)c2ccc(Br)cc2C(F)(F)F)C1 ZINC000526037559 564717172 /nfs/dbraw/zinc/71/71/72/564717172.db2.gz QRUBKCYIWZHZOL-NOZJJQNGSA-N 1 0 395.219 2.569 20 0 GFADRO C[C@@H](NC(=O)NCc1nn(C)cc1Br)[C@@H](c1ccccc1)[NH+](C)C ZINC000458789225 564718734 /nfs/dbraw/zinc/71/87/34/564718734.db2.gz YMPISIYKQPPYRR-WBMJQRKESA-N 1 0 394.317 2.673 20 0 GFADRO [NH3+][C@H]1CCc2ncc(NC(=O)COc3ccc(Br)cc3)cc2C1 ZINC000576815854 564719853 /nfs/dbraw/zinc/71/98/53/564719853.db2.gz UQAIZDNOSCALEP-ZDUSSCGKSA-N 1 0 376.254 2.678 20 0 GFADRO CC[N@@H+]1C[C@@H](C)N(C(=O)Cc2ccc(I)cc2)C[C@H]1C ZINC000488784958 564720096 /nfs/dbraw/zinc/72/00/96/564720096.db2.gz MISVYMWPLPVPOY-CHWSQXEVSA-N 1 0 386.277 2.775 20 0 GFADRO CCCN(CC[NH+]1CCCC1)C(=O)N[C@@H](C)c1ncc(Br)cn1 ZINC000458856819 564720458 /nfs/dbraw/zinc/72/04/58/564720458.db2.gz YWYAGQFLYZIOIX-ZDUSSCGKSA-N 1 0 384.322 2.818 20 0 GFADRO O=C(c1c[nH]c2ccc(Br)cc21)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000488841324 564721833 /nfs/dbraw/zinc/72/18/33/564721833.db2.gz QDCWCKIHYSLLMZ-CYBMUJFWSA-N 1 0 392.297 2.725 20 0 GFADRO CCCC[N@H+](C)CCNC(=O)c1ccc(I)c(F)c1 ZINC000488864214 564722719 /nfs/dbraw/zinc/72/27/19/564722719.db2.gz RCZZWKLESJHGFO-UHFFFAOYSA-N 1 0 378.229 2.892 20 0 GFADRO Cc1nc(CNC(=O)N(C)C[C@H]2CCC[N@H+](C)C2)sc1Br ZINC000458926480 564723835 /nfs/dbraw/zinc/72/38/35/564723835.db2.gz LMVWADYPWDAGCI-NSHDSACASA-N 1 0 375.336 2.697 20 0 GFADRO C[NH+](C)CCOc1cccc(CNS(=O)(=O)c2cc(F)ccc2Cl)c1 ZINC000488946411 564724655 /nfs/dbraw/zinc/72/46/55/564724655.db2.gz WCYWVDDHFZKNCO-UHFFFAOYSA-N 1 0 386.876 2.898 20 0 GFADRO O=C(NCCOc1ccc(Cl)c(Cl)c1)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000458934172 564724723 /nfs/dbraw/zinc/72/47/23/564724723.db2.gz DKSZNFYYGWZVNE-CYBMUJFWSA-N 1 0 390.311 2.518 20 0 GFADRO C[C@@H]1CC[S@](=O)CCN1C(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000577170196 564726965 /nfs/dbraw/zinc/72/69/65/564726965.db2.gz WLTJONPJCCRRFH-MBAJFKDKSA-N 1 0 383.583 2.684 20 0 GFADRO CC(C)(C[NH2+]C1CCC2(CC1)NC(=O)NC2=O)c1ccc(Br)cc1 ZINC000553651467 564730959 /nfs/dbraw/zinc/73/09/59/564730959.db2.gz SJDSVNASSKQEGK-UHFFFAOYSA-N 1 0 394.313 2.837 20 0 GFADRO CCC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(I)c(O)c1 ZINC000553692300 564732199 /nfs/dbraw/zinc/73/21/99/564732199.db2.gz FBTRVCVHDLVKED-LBPRGKRZSA-N 1 0 388.249 2.601 20 0 GFADRO Cc1cc(CNC(=O)N2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)ccc1Br ZINC000459163103 564733201 /nfs/dbraw/zinc/73/32/01/564733201.db2.gz AZBHSPNXFGNEIG-AWEZNQCLSA-N 1 0 398.345 2.744 20 0 GFADRO O=S(=O)(c1cnccc1C(F)(F)F)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000527192797 564733854 /nfs/dbraw/zinc/73/38/54/564733854.db2.gz VTNRFJYIVAIDJT-CYBMUJFWSA-N 1 0 377.432 2.597 20 0 GFADRO COCC[N@H+](C[C@H](O)COc1c(Cl)cccc1Cl)[C@H]1CCO[C@H]1C ZINC000489403280 564738875 /nfs/dbraw/zinc/73/88/75/564738875.db2.gz KWBVZRHUQRYHBC-XEZPLFJOSA-N 1 0 378.296 2.859 20 0 GFADRO CC(C)O[C@@H]1CC[N@H+](C[C@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000578067307 564740326 /nfs/dbraw/zinc/74/03/26/564740326.db2.gz GWMRTPSRNSHGDD-LSDHHAIUSA-N 1 0 376.266 2.827 20 0 GFADRO CCO[C@@H]1C[C@H]([NH2+]CCCN(C)S(=O)(=O)CC)[C@H]1Sc1ccccc1 ZINC000459374843 564741313 /nfs/dbraw/zinc/74/13/13/564741313.db2.gz MKDPVTDHDISLFQ-RCCFBDPRSA-N 1 0 386.583 2.586 20 0 GFADRO CCOc1cc(C[NH2+]CCNS(=O)(=O)c2cccc(Cl)c2)ccc1O ZINC000459383207 564742983 /nfs/dbraw/zinc/74/29/83/564742983.db2.gz GUBKTEYUCAPRER-UHFFFAOYSA-N 1 0 384.885 2.512 20 0 GFADRO O=C(NC[C@H]1[NH2+]CCc2ccccc21)c1cc2c(c(Br)c1)OCO2 ZINC000578349755 564743491 /nfs/dbraw/zinc/74/34/91/564743491.db2.gz OMEIDHSNBFHEOT-OAHLLOKOSA-N 1 0 389.249 2.795 20 0 GFADRO CNc1cc(N2CCC[C@@H]2C[NH2+]Cc2cccc(O)c2Br)ncn1 ZINC000459406566 564743911 /nfs/dbraw/zinc/74/39/11/564743911.db2.gz UKGGJMUWOWUNDM-CYBMUJFWSA-N 1 0 392.301 2.745 20 0 GFADRO O=C(CCOC1C[NH2+]C1)Nc1nc(-c2ccccc2)c(Br)s1 ZINC000579350850 564746957 /nfs/dbraw/zinc/74/69/57/564746957.db2.gz ZTWYBVVAQDAJOF-UHFFFAOYSA-N 1 0 382.283 2.890 20 0 GFADRO C[C@H]1CN(CCn2cc(Cl)cn2)C(C)(C)CN1CCn1cc(Cl)cn1 ZINC000459491775 564746953 /nfs/dbraw/zinc/74/69/53/564746953.db2.gz VLCJJAGQKWYIDZ-AWEZNQCLSA-N 1 0 385.343 2.871 20 0 GFADRO CCC[C@@H]1C[NH2+]CCN1Cc1csc(-c2ccc(S(C)(=O)=O)cc2)n1 ZINC000579479396 564748422 /nfs/dbraw/zinc/74/84/22/564748422.db2.gz XJHKAJXIUDFOBG-MRXNPFEDSA-N 1 0 379.551 2.788 20 0 GFADRO COCc1cc(C[NH2+]C[C@H](CO)Cc2ccc(C)c(Br)c2)no1 ZINC000459567547 564751660 /nfs/dbraw/zinc/75/16/60/564751660.db2.gz ISRXRFIICLBCOL-CQSZACIVSA-N 1 0 383.286 2.833 20 0 GFADRO C[C@@H](CCc1ccc(I)cc1)[NH2+]CC(C)(C)OCCO ZINC000489797325 564752880 /nfs/dbraw/zinc/75/28/80/564752880.db2.gz QWVXJTMCXKMGFD-ZDUSSCGKSA-N 1 0 391.293 2.989 20 0 GFADRO O=C(c1ccncc1)N1CCC([NH2+]Cc2ncc(Br)cc2F)CC1 ZINC000527639147 564752947 /nfs/dbraw/zinc/75/29/47/564752947.db2.gz FGDJXQKISYDZPW-UHFFFAOYSA-N 1 0 393.260 2.773 20 0 GFADRO CN1CCC[N@H+](CCCNCc2ncc(Cl)cc2Br)CC1 ZINC000527652560 564753126 /nfs/dbraw/zinc/75/31/26/564753126.db2.gz FSTUNHREEKPNFB-UHFFFAOYSA-N 1 0 375.742 2.615 20 0 GFADRO Cc1c(Br)cccc1CNC(=O)[C@]1([NH3+])[C@@H]2CCCO[C@@H]2C1(C)C ZINC000579977835 564754082 /nfs/dbraw/zinc/75/40/82/564754082.db2.gz KJNWBSCLSJDQHL-QIIPPGSGSA-N 1 0 381.314 2.906 20 0 GFADRO CO[C@@H]1COC[C@@H]1[NH2+][C@H]1CCCN(c2c(C)cc(Br)cc2C)C1=O ZINC000580412381 564757334 /nfs/dbraw/zinc/75/73/34/564757334.db2.gz ACNWRARMMJSQHB-HRCADAONSA-N 1 0 397.313 2.565 20 0 GFADRO CC[C@H]1[NH2+]CC[C@@H]1C(=O)N1CCN(Cc2ccc(Br)s2)CC1 ZINC000580439043 564758184 /nfs/dbraw/zinc/75/81/84/564758184.db2.gz OHSCLRSOTLZLLI-UONOGXRCSA-N 1 0 386.359 2.543 20 0 GFADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+]CC[C@H]1CCCOC1 ZINC000527735562 564758256 /nfs/dbraw/zinc/75/82/56/564758256.db2.gz DQUIEBPYRCTPAS-ZIAGYGMSSA-N 1 0 399.329 2.869 20 0 GFADRO Cc1cc(Br)c(C[NH2+]C[C@@H]2CNC(=O)C2)cc1Br ZINC000527720624 564758711 /nfs/dbraw/zinc/75/87/11/564758711.db2.gz ONLICAARXPUTGU-SECBINFHSA-N 1 0 376.092 2.746 20 0 GFADRO O=S(=O)(c1ccc(Cl)cc1Br)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000490002389 564759354 /nfs/dbraw/zinc/75/93/54/564759354.db2.gz DYRRWTYGTPNQOF-AWEZNQCLSA-N 1 0 393.734 2.867 20 0 GFADRO C[C@@H]([NH2+]C[C@@]1(CO)COCC2(CCC2)N1C)c1ccc(Br)s1 ZINC000527752740 564759421 /nfs/dbraw/zinc/75/94/21/564759421.db2.gz HDEGNFOJVGMBEE-MLGOLLRUSA-N 1 0 389.359 2.777 20 0 GFADRO O[C@@H](C[NH2+]Cc1cc(Br)cc(Br)c1)[C@@H]1CCCO1 ZINC000527756029 564759575 /nfs/dbraw/zinc/75/95/75/564759575.db2.gz JBZGKPXKPMSJGZ-STQMWFEESA-N 1 0 379.092 2.841 20 0 GFADRO CC(C)C[C@H](CNC(=O)Cc1ccc(I)cc1)[NH+](C)C ZINC000490032332 564760462 /nfs/dbraw/zinc/76/04/62/564760462.db2.gz NAXFEZRAGVBURI-OAHLLOKOSA-N 1 0 388.293 2.926 20 0 GFADRO Ic1cnc(CNC[C@@H]2CC[N@@H+]2C2CCCC2)s1 ZINC000527811644 564762556 /nfs/dbraw/zinc/76/25/56/564762556.db2.gz RPKCKQBITQBOFS-NSHDSACASA-N 1 0 377.295 2.854 20 0 GFADRO Cc1cccc(N2CC[NH+](CCCNC(=O)[C@@H]3C[C@@]3(C)Br)CC2)c1 ZINC000527909795 564764308 /nfs/dbraw/zinc/76/43/08/564764308.db2.gz SHHQENVJGGJPPN-PKOBYXMFSA-N 1 0 394.357 2.797 20 0 GFADRO CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N(C)Cc2c(Cl)cccc2Cl)C1 ZINC000459919466 564765234 /nfs/dbraw/zinc/76/52/34/564765234.db2.gz MEGWQFQWBDKZKN-ZDUSSCGKSA-N 1 0 386.323 2.895 20 0 GFADRO COc1cc(Br)ccc1CCC(=O)Nc1ccnn1CC[NH+](C)C ZINC000580593017 564765687 /nfs/dbraw/zinc/76/56/87/564765687.db2.gz BXGWGGSTHZZFAY-UHFFFAOYSA-N 1 0 395.301 2.787 20 0 GFADRO C[N@@H+]1CCCN(C(=O)Nc2nnc(SCc3ccc(F)cc3)s2)CC1 ZINC000554590456 564767289 /nfs/dbraw/zinc/76/72/89/564767289.db2.gz FZNFUIQOYUTQNU-UHFFFAOYSA-N 1 0 381.502 3.139 20 0 GFADRO O=S(=O)(N[C@H]1CC[NH2+]C12CCC2)c1cc(Br)ccc1Cl ZINC000528050070 564767918 /nfs/dbraw/zinc/76/79/18/564767918.db2.gz AKTDKZFFQAQATC-LBPRGKRZSA-N 1 0 379.707 2.665 20 0 GFADRO CC(C)[C@@H]1C[NH2+]CCN1S(=O)(=O)c1ccc(Cl)cc1Br ZINC000528048403 564768382 /nfs/dbraw/zinc/76/83/82/564768382.db2.gz KMGQARWUSBMVHZ-LBPRGKRZSA-N 1 0 381.723 2.721 20 0 GFADRO C[N@@H+]1CCC[C@H]1CNC(=O)CSc1nnc(-c2cccs2)n1C1CC1 ZINC000490395539 564770043 /nfs/dbraw/zinc/77/00/43/564770043.db2.gz ADFWNZWRJQMKPS-ZDUSSCGKSA-N 1 0 377.539 2.644 20 0 GFADRO Cn1ncc2c1CCC[C@H]2[NH2+]C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000580709710 564770328 /nfs/dbraw/zinc/77/03/28/564770328.db2.gz LVGDNFUAFRROLZ-XJKSGUPXSA-N 1 0 398.276 2.729 20 0 GFADRO CO[C@H](C[N@@H+]1CCC[C@@H](CNS(=O)(=O)C2CC2)C1)c1ccc(Cl)cc1 ZINC000554744312 564772821 /nfs/dbraw/zinc/77/28/21/564772821.db2.gz ZSDPXVPBCHILBP-KBXCAEBGSA-N 1 0 386.945 2.821 20 0 GFADRO CS[C@H]1CN(CC(=O)Nc2nc3ccccc3s2)C[C@H]1[NH+]1CCCC1 ZINC000460359676 564774757 /nfs/dbraw/zinc/77/47/57/564774757.db2.gz OUEZXSPJGUDSBG-ZBFHGGJFSA-N 1 0 376.551 2.746 20 0 GFADRO CS[C@@H]1CN(Cc2cn(-c3ccc(Cl)cc3)nn2)C[C@@H]1[NH+]1CCCC1 ZINC000460359783 564774907 /nfs/dbraw/zinc/77/49/07/564774907.db2.gz BUWZOTNLAJRGCN-ZWKOTPCHSA-N 1 0 377.945 2.932 20 0 GFADRO C[N@@H+]1CC[C@@]2(CCN(S(=O)(=O)c3cc(Br)ccc3Cl)C2)C1 ZINC000490533620 564775723 /nfs/dbraw/zinc/77/57/23/564775723.db2.gz GBBZXFOMWDLQPV-CQSZACIVSA-N 1 0 393.734 2.819 20 0 GFADRO Cc1ccc(Br)cc1CNC(=O)N(C)CCC[N@@H+](C)CCN(C)C ZINC000460855616 564783073 /nfs/dbraw/zinc/78/30/73/564783073.db2.gz NYXGJKVEKFCMGB-UHFFFAOYSA-N 1 0 399.377 2.782 20 0 GFADRO C[C@H](CNC(=O)[C@@H]([NH3+])Cc1ccccc1)Oc1ccc(Br)cc1 ZINC000490977355 564784405 /nfs/dbraw/zinc/78/44/05/564784405.db2.gz XSCKJLLYWWZIFR-DYVFJYSZSA-N 1 0 377.282 2.903 20 0 GFADRO CC(C)[N@H+](C)C[C@H](C)NC(=O)N[C@@H](CO)c1ccc(Br)c(F)c1 ZINC000491067170 564785501 /nfs/dbraw/zinc/78/55/01/564785501.db2.gz JXMHFXMYPDEAFN-NHYWBVRUSA-N 1 0 390.297 2.650 20 0 GFADRO CCCN(CC[NH+](CC)CC)c1ccc(S(N)(=O)=O)c(C(F)(F)F)c1 ZINC000460945293 564785824 /nfs/dbraw/zinc/78/58/24/564785824.db2.gz VSORWJLDWKDPBQ-UHFFFAOYSA-N 1 0 381.464 2.911 20 0 GFADRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)Nc1ccc(I)cc1F ZINC000581081506 564786894 /nfs/dbraw/zinc/78/68/94/564786894.db2.gz AYURRCOSTNEOHM-IUCAKERBSA-N 1 0 377.201 2.631 20 0 GFADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)[C@@H]1C[C@@]12CCOC2 ZINC000460983488 564787313 /nfs/dbraw/zinc/78/73/13/564787313.db2.gz SVDZCDVYVFYTGD-FUHWJXTLSA-N 1 0 381.314 2.766 20 0 GFADRO O=S(=O)(NC[C@@H]1CC[N@@H+]1C1CCCCC1)c1cnccc1C(F)(F)F ZINC000528479441 564787818 /nfs/dbraw/zinc/78/78/18/564787818.db2.gz VMTSZJRLEZFJRX-ZDUSSCGKSA-N 1 0 377.432 2.786 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1ccc(Br)c(Cl)c1 ZINC000491211286 564788505 /nfs/dbraw/zinc/78/85/05/564788505.db2.gz CTAAMKHYWMGBRX-SNVBAGLBSA-N 1 0 381.723 2.865 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)CCC[N@@H+](C)[C@]1(CO)CCOC1 ZINC000461373213 564794840 /nfs/dbraw/zinc/79/48/40/564794840.db2.gz OLKAHXLDOBASGL-SFHVURJKSA-N 1 0 399.329 2.868 20 0 GFADRO C[C@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1ccc(OCC(F)(F)F)cc1 ZINC000491650443 564795139 /nfs/dbraw/zinc/79/51/39/564795139.db2.gz XTMJCICJHHRVEH-ZDUSSCGKSA-N 1 0 380.432 2.780 20 0 GFADRO Cc1cc(Br)cc2c1[C@@H]([NH2+][C@@H]1CCCN(S(C)(=O)=O)C1)CC2 ZINC000492050664 564797398 /nfs/dbraw/zinc/79/73/98/564797398.db2.gz UAZASEMFJMMFJT-CABCVRRESA-N 1 0 387.343 2.758 20 0 GFADRO CC[C@@H]([NH2+][C@H]1CCc2cc(Br)cc(C)c21)C(=O)N1CCOCC1 ZINC000492044842 564797871 /nfs/dbraw/zinc/79/78/71/564797871.db2.gz KNWSZVLBKWPFQA-CVEARBPZSA-N 1 0 381.314 2.972 20 0 GFADRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)Nc1ccc(Br)c(Cl)c1Cl ZINC000581429443 564802061 /nfs/dbraw/zinc/80/20/61/564802061.db2.gz MCVOHFFBTUVVJL-RNFRBKRXSA-N 1 0 397.100 2.936 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2cccc(Br)c2Cl)CC[N@@H+]1C ZINC000581434630 564802702 /nfs/dbraw/zinc/80/27/02/564802702.db2.gz GOZOQBDJXDBSNQ-ZJUUUORDSA-N 1 0 388.693 2.640 20 0 GFADRO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]C[C@@H]1CC(=O)N(C2CC2)C1 ZINC000581434242 564802747 /nfs/dbraw/zinc/80/27/47/564802747.db2.gz ORMPMFGKTCSIRQ-OLZOCXBDSA-N 1 0 394.313 2.767 20 0 GFADRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N[C@@H](C)c1ncc(Br)cn1 ZINC000581465641 564803735 /nfs/dbraw/zinc/80/37/35/564803735.db2.gz RSSBJUIHZBHWMW-UPJWGTAASA-N 1 0 384.322 2.720 20 0 GFADRO C[C@H]1C[NH+](CCCNC(=O)c2c(F)ccc(Br)c2F)C[C@H](C)O1 ZINC000492935445 564805693 /nfs/dbraw/zinc/80/56/93/564805693.db2.gz DOLYCXAZBURQJP-QWRGUYRKSA-N 1 0 391.256 2.956 20 0 GFADRO COCC[NH+]1CCC(N[C@@H](C(=O)OC)c2ccc(Cl)cc2Cl)CC1 ZINC000461865032 564805808 /nfs/dbraw/zinc/80/58/08/564805808.db2.gz LXKFZLKDWHETQN-MRXNPFEDSA-N 1 0 375.296 2.908 20 0 GFADRO Cc1ccc(CNC(=O)C(=O)NC[C@@H](c2ccc(Cl)cc2)[NH+](C)C)s1 ZINC000555976664 564810420 /nfs/dbraw/zinc/81/04/20/564810420.db2.gz MNNJETBMBXLYOH-INIZCTEOSA-N 1 0 379.913 2.745 20 0 GFADRO CC(C)S(=O)(=O)c1c(Cl)cccc1NC(=O)N[C@@H](C)CC[NH+](C)C ZINC000556091924 564812266 /nfs/dbraw/zinc/81/22/66/564812266.db2.gz NZKQMSMMFMXMOC-LBPRGKRZSA-N 1 0 375.922 2.984 20 0 GFADRO COc1ccc(Br)c(C(=O)NCCCNc2nc(C)ncc2C)c1 ZINC000581676574 564813635 /nfs/dbraw/zinc/81/36/35/564813635.db2.gz AVXUZLUQCXZNSM-UHFFFAOYSA-N 1 0 393.285 2.518 20 0 GFADRO COCc1cnc(CNc2cc(N3CCOCC3)c(Br)c[nH+]2)s1 ZINC000556155905 564814435 /nfs/dbraw/zinc/81/44/35/564814435.db2.gz BLDBUCVATKISIJ-UHFFFAOYSA-N 1 0 399.314 2.896 20 0 GFADRO C[NH+]1CCC(CCNS(=O)(=O)CCc2ccccc2Br)CC1 ZINC000462082100 564816938 /nfs/dbraw/zinc/81/69/38/564816938.db2.gz BVPVMLZRZIUIHI-UHFFFAOYSA-N 1 0 389.359 2.643 20 0 GFADRO CS(=O)(=O)[C@H]1CCC[C@@H]([NH2+]Cc2ccc(I)cc2)C1 ZINC000581766534 564817501 /nfs/dbraw/zinc/81/75/01/564817501.db2.gz GDTNRUKCEMMEEE-KGLIPLIRSA-N 1 0 393.290 2.737 20 0 GFADRO C[C@H]([NH2+][C@]1(C)CCO[C@H]1C)C(=O)Nc1ccc(I)cc1 ZINC000494214521 564818686 /nfs/dbraw/zinc/81/86/86/564818686.db2.gz AYMUYJVZBIDVGH-ZIBATOQPSA-N 1 0 388.249 2.775 20 0 GFADRO OCC[N@@H+](Cc1cc(Br)cs1)C[C@@H](O)COc1ccccc1 ZINC000494243775 564820063 /nfs/dbraw/zinc/82/00/63/564820063.db2.gz CTOGZNCJXMEGKJ-CQSZACIVSA-N 1 0 386.311 2.745 20 0 GFADRO C[N@@H+](Cc1ccc(Br)c(F)c1)C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000494245601 564820316 /nfs/dbraw/zinc/82/03/16/564820316.db2.gz SSPPIIWTXMLZTF-CYBMUJFWSA-N 1 0 393.322 2.692 20 0 GFADRO CSC1(CNS(=O)(=O)c2ccc(C(F)(F)F)s2)CC[NH+](C)CC1 ZINC000462128573 564822116 /nfs/dbraw/zinc/82/21/16/564822116.db2.gz HRHLXHXAAOYXHJ-UHFFFAOYSA-N 1 0 388.502 2.873 20 0 GFADRO COC(=O)c1cc(NC(=O)NC[C@H]2CCC[N@@H+]2C)c(C)cc1Br ZINC000494313523 564823974 /nfs/dbraw/zinc/82/39/74/564823974.db2.gz FGGMUXNZACLJAV-LLVKDONJSA-N 1 0 384.274 2.760 20 0 GFADRO OC[C@H]([NH2+]Cc1ncc(-c2ccc(Br)cc2)o1)C1CCOCC1 ZINC000582022827 564827522 /nfs/dbraw/zinc/82/75/22/564827522.db2.gz IQPPPNGCFPTLAS-HNNXBMFYSA-N 1 0 381.270 2.981 20 0 GFADRO C[N@H+](CCCNC(=O)C1CCC1)Cc1cn2ccc(Br)cc2n1 ZINC000556478330 564827861 /nfs/dbraw/zinc/82/78/61/564827861.db2.gz LWBQHGXWASYALZ-UHFFFAOYSA-N 1 0 379.302 2.835 20 0 GFADRO COC(=O)c1cc(Br)cc(C(=O)N(CC[NH+](C)C)CC(C)C)c1 ZINC000462228947 564828656 /nfs/dbraw/zinc/82/86/56/564828656.db2.gz BXZPDURQOKPMGV-UHFFFAOYSA-N 1 0 385.302 2.896 20 0 GFADRO Cc1cc(N2CCC[C@H]([N@@H+]3C[C@H](O)C4(CC4)C3)C2=O)ccc1Br ZINC000494418933 564829302 /nfs/dbraw/zinc/82/93/02/564829302.db2.gz PXHJXGOCQRTMRC-HOTGVXAUSA-N 1 0 379.298 2.710 20 0 GFADRO Cc1nn(C)c(C)c1CCC[NH2+]C[C@H](O)COc1ccc(Br)cc1 ZINC000582058177 564829466 /nfs/dbraw/zinc/82/94/66/564829466.db2.gz RJVPTXCDKHPPNN-INIZCTEOSA-N 1 0 396.329 2.762 20 0 GFADRO O=C(NCc1ccc(Br)c(F)c1F)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000529339095 564830127 /nfs/dbraw/zinc/83/01/27/564830127.db2.gz MNMWCACJEJSPLW-WCQYABFASA-N 1 0 388.256 2.915 20 0 GFADRO O=C(NCc1ccc(Br)c(F)c1F)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000529340016 564830559 /nfs/dbraw/zinc/83/05/59/564830559.db2.gz GYFYYIZRNHCVFC-YUSALJHKSA-N 1 0 388.256 2.915 20 0 GFADRO Cc1cc(Br)c2c(c1)CN(C[C@H](O)C[NH+]1C[C@H](C)O[C@@H](C)C1)CC2 ZINC000494439870 564830674 /nfs/dbraw/zinc/83/06/74/564830674.db2.gz VYCWWBLMKVNHBG-ZOBUZTSGSA-N 1 0 397.357 2.586 20 0 GFADRO O=C(NC1(c2c(Cl)cccc2Cl)CC1)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000582120701 564830976 /nfs/dbraw/zinc/83/09/76/564830976.db2.gz LUXASOZZQDNOJA-NSHDSACASA-N 1 0 380.279 2.756 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)NCc2ccc(Br)c(F)c2F)C1 ZINC000529369889 564832118 /nfs/dbraw/zinc/83/21/18/564832118.db2.gz KWCPEEWEUCWPNN-KOLCDFICSA-N 1 0 376.245 2.996 20 0 GFADRO CCCS(=O)(=O)Nc1cc(NC(=O)CC[C@H]2CCC[NH2+]2)c(F)cc1F ZINC000494525020 564832660 /nfs/dbraw/zinc/83/26/60/564832660.db2.gz JNFLJAWSSNILLO-LLVKDONJSA-N 1 0 375.441 2.587 20 0 GFADRO CC1(CNC(=O)[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)CC[NH2+]CC1 ZINC000582240364 564836752 /nfs/dbraw/zinc/83/67/52/564836752.db2.gz HVMAEMOMRWCMBC-CYBMUJFWSA-N 1 0 384.307 2.852 20 0 GFADRO C[C@@H]1CN(C2CC2)C[C@H]1[NH2+]CCC(=O)N(C)Cc1ccccc1Br ZINC000494680270 564837454 /nfs/dbraw/zinc/83/74/54/564837454.db2.gz MYDXNGITEWBAPS-RDTXWAMCSA-N 1 0 394.357 2.870 20 0 GFADRO CC(C)[C@H](NC(=O)c1ccccc1Br)C(=O)N[C@@H](C)CCCC[NH3+] ZINC000494718276 564838101 /nfs/dbraw/zinc/83/81/01/564838101.db2.gz IAXQHVMRLFOYNZ-BBRMVZONSA-N 1 0 398.345 2.837 20 0 GFADRO COc1cc(I)ccc1NC(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000582301253 564839742 /nfs/dbraw/zinc/83/97/42/564839742.db2.gz ZBDWDMJTCBGCLT-IUCAKERBSA-N 1 0 377.226 2.547 20 0 GFADRO Cc1ccc(S(=O)(=O)NCC[NH+]2CCC(C)CC2)cc1Br ZINC000462435202 564840260 /nfs/dbraw/zinc/84/02/60/564840260.db2.gz FCILWIGRZAOBCO-UHFFFAOYSA-N 1 0 375.332 2.768 20 0 GFADRO Cc1nc2sccn2c(=O)c1CC[NH2+][C@@H](C)c1ccc([S@@](C)=O)cc1 ZINC000556811361 564840685 /nfs/dbraw/zinc/84/06/85/564840685.db2.gz XIVXBWRKIBMXLT-UOXLDJKESA-N 1 0 375.519 2.695 20 0 GFADRO C[C@@H](CC(=O)N1CCN(CCO)[C@H](C)C1)c1ccc(F)c(Br)c1 ZINC000462484112 564842544 /nfs/dbraw/zinc/84/25/44/564842544.db2.gz IKUIJXFXMWSPHF-QWHCGFSZSA-N 1 0 387.293 2.607 20 0 GFADRO CC[C@H](CCc1ccc(Br)cc1)[NH2+]CCS(=O)(=O)N(C)C ZINC000582390456 564844025 /nfs/dbraw/zinc/84/40/25/564844025.db2.gz JXJWQBIZXLQZTI-OAHLLOKOSA-N 1 0 377.348 2.641 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+]CCc2ccc(OC(F)F)cc2)cc1Cl ZINC000556882445 564845100 /nfs/dbraw/zinc/84/51/00/564845100.db2.gz RCIQTBMXUSLYRJ-UHFFFAOYSA-N 1 0 390.839 2.921 20 0 GFADRO C[C@H](NC(=O)C1(c2ccc(Cl)c(Cl)c2)CCC1)C(=O)NCC[NH+](C)C ZINC000556903314 564846104 /nfs/dbraw/zinc/84/61/04/564846104.db2.gz KDJKFMUHQOYGQX-LBPRGKRZSA-N 1 0 386.323 2.598 20 0 GFADRO CC(C)(C)[C@@H](O)CN1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1 ZINC000582434648 564846644 /nfs/dbraw/zinc/84/66/44/564846644.db2.gz FMTJKWSTDORQCM-AWEZNQCLSA-N 1 0 395.352 2.707 20 0 GFADRO CC[C@@H]1CN(C(=O)[C@@H](C)c2cccc(Br)c2)CC[N@@H+]1C[C@H](C)O ZINC000462589428 564850835 /nfs/dbraw/zinc/85/08/35/564850835.db2.gz HKLUSUXFCQOPGI-GRDNDAEWSA-N 1 0 383.330 2.856 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)Nc2ccc(-c3ccc(Br)s3)nn2)C1 ZINC000582534480 564850996 /nfs/dbraw/zinc/85/09/96/564850996.db2.gz BGBJOLUNRVKYSY-NXEZZACHSA-N 1 0 396.314 3.169 20 0 GFADRO Cc1c2cc(Cl)ccc2sc1CNC(=O)C(=O)N[C@@H](C)CC[NH+](C)C ZINC000557024758 564851656 /nfs/dbraw/zinc/85/16/56/564851656.db2.gz HZTJRRBNNVAPIU-NSHDSACASA-N 1 0 381.929 2.936 20 0 GFADRO COCC[NH2+]C1CCN(C(=O)C2(c3cccc(Br)c3)CC2)CC1 ZINC000582553835 564852255 /nfs/dbraw/zinc/85/22/55/564852255.db2.gz VVGSCOYILBMBTI-UHFFFAOYSA-N 1 0 381.314 2.708 20 0 GFADRO CC[NH+]1CCN(CCC(=O)N2CC3(CC3)c3ccc(Br)cc32)CC1 ZINC000529820280 564852476 /nfs/dbraw/zinc/85/24/76/564852476.db2.gz DQCWUAUVPWPPKV-UHFFFAOYSA-N 1 0 392.341 2.855 20 0 GFADRO CS[C@H]1CN(C(=O)CCc2cc(Br)cs2)C[C@@H]1[NH+](C)C ZINC000495551355 564854229 /nfs/dbraw/zinc/85/42/29/564854229.db2.gz YCENYINIJUAXKV-STQMWFEESA-N 1 0 377.373 2.947 20 0 GFADRO CS[C@H]1CN(C(=O)Cc2c[nH]c3cc(Br)ccc23)C[C@H]1[NH+](C)C ZINC000495551312 564854921 /nfs/dbraw/zinc/85/49/21/564854921.db2.gz XBEIDVHAAOVCTO-CVEARBPZSA-N 1 0 396.354 2.977 20 0 GFADRO CS[C@H]1CN(C(=O)c2csc(Cc3ccc(F)cc3)n2)C[C@@H]1[NH+](C)C ZINC000495684169 564855417 /nfs/dbraw/zinc/85/54/17/564855417.db2.gz ZBLCUYUGBSNHEG-HOTGVXAUSA-N 1 0 379.526 2.991 20 0 GFADRO CS[C@@H]1CN(C(=O)Cc2cc(F)ccc2Br)C[C@H]1[NH+](C)C ZINC000495730718 564856708 /nfs/dbraw/zinc/85/67/08/564856708.db2.gz WIILLBMUOOAUSN-ZIAGYGMSSA-N 1 0 375.307 2.635 20 0 GFADRO CS[C@@H]1CN(C(=O)c2ccnc(SCC(F)(F)F)c2)C[C@H]1[NH+](C)C ZINC000495713798 564856887 /nfs/dbraw/zinc/85/68/87/564856887.db2.gz SDJFZNBSTZOYAO-VXGBXAGGSA-N 1 0 379.473 2.854 20 0 GFADRO CS[C@H]1CN(C(=O)C2=Cc3cc(Br)ccc3OC2)C[C@H]1[NH+](C)C ZINC000495711748 564856930 /nfs/dbraw/zinc/85/69/30/564856930.db2.gz HEPBQGFZUSIPDC-ZBFHGGJFSA-N 1 0 397.338 2.729 20 0 GFADRO CCCN(C(=O)NCc1cc(Br)cc2c1OCC2)[C@@H]1CC[NH2+]C1 ZINC000557175484 564856948 /nfs/dbraw/zinc/85/69/48/564856948.db2.gz KKLIUWMMRITHHF-OAHLLOKOSA-N 1 0 382.302 2.668 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+][C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)cc1Br ZINC000582676773 564857062 /nfs/dbraw/zinc/85/70/62/564857062.db2.gz IWIAQLCQMHPQAS-XOKHGSTOSA-N 1 0 393.306 2.524 20 0 GFADRO COCC1([NH2+]Cc2ccc(F)cc2I)CCOCC1 ZINC000557201436 564857525 /nfs/dbraw/zinc/85/75/25/564857525.db2.gz XNBIKFQEVIBYPI-UHFFFAOYSA-N 1 0 379.213 2.716 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)C(=O)N[C@@H]2CCSc3ccc(Cl)cc32)CC[N@@H+]1C ZINC000557208711 564858465 /nfs/dbraw/zinc/85/84/65/564858465.db2.gz BZMUXRGCHVWGSW-UXIGCNINSA-N 1 0 381.929 2.592 20 0 GFADRO O=C1[C@H]([NH2+]C[C@@H](O)COCc2cccs2)CCN1c1cccc(Cl)c1 ZINC000582720869 564858737 /nfs/dbraw/zinc/85/87/37/564858737.db2.gz KNVWHFMJEVYPRM-NVXWUHKLSA-N 1 0 380.897 2.674 20 0 GFADRO CCN(Cc1ccccc1Br)C[C@@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000557295109 564859573 /nfs/dbraw/zinc/85/95/73/564859573.db2.gz LETZMYUJJZNNLS-HLLBOEOZSA-N 1 0 385.346 2.741 20 0 GFADRO Cc1nn(C)c(CNc2cccc(C[N@@H+]3CC[C@H](O)C3)c2)c1Br ZINC000462872723 564861255 /nfs/dbraw/zinc/86/12/55/564861255.db2.gz VLUXXVRWLRVHIV-HNNXBMFYSA-N 1 0 379.302 2.670 20 0 GFADRO Cn1ncc(NCc2cccc(C[NH+]3CCCC3)c2)c(Br)c1=O ZINC000496725349 564861665 /nfs/dbraw/zinc/86/16/65/564861665.db2.gz UERLRLSRDWMJFG-UHFFFAOYSA-N 1 0 377.286 2.751 20 0 GFADRO C[C@H](CNC(=O)C(=O)N1CC[N@H+](C)CC[C@H]1C)c1c(Cl)cccc1Cl ZINC000557456824 564864172 /nfs/dbraw/zinc/86/41/72/564864172.db2.gz VOAFMLUHTDWEJQ-CHWSQXEVSA-N 1 0 386.323 2.766 20 0 GFADRO Cc1nc(NC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)ccc1I ZINC000463146022 564870607 /nfs/dbraw/zinc/87/06/07/564870607.db2.gz SANNMIPLJGCOHE-DRZSPHRISA-N 1 0 385.249 2.854 20 0 GFADRO CCC[N@H+](CC)C[C@H](C)NS(=O)(=O)c1ccc(OC)cc1Br ZINC000582992934 564870767 /nfs/dbraw/zinc/87/07/67/564870767.db2.gz LCUYZDCNZYLVCV-LBPRGKRZSA-N 1 0 393.347 2.856 20 0 GFADRO O=C(NCCc1nc2c(s1)CCCC2)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000557664753 564871458 /nfs/dbraw/zinc/87/14/58/564871458.db2.gz VCTDOFQUGBHLHZ-OAHLLOKOSA-N 1 0 379.595 2.898 20 0 GFADRO CCC[C@H](C(=O)N[C@@H]1CCN(c2ccc(Br)c(C)c2)C1=O)[NH+](C)C ZINC000463173029 564871850 /nfs/dbraw/zinc/87/18/50/564871850.db2.gz VKXCUCFTWYDYBD-HZPDHXFCSA-N 1 0 396.329 2.709 20 0 GFADRO Brc1ccc2ncc(CN3CCC(CO[C@@H]4CC[NH2+]C4)CC3)n2c1 ZINC000530248292 564873088 /nfs/dbraw/zinc/87/30/88/564873088.db2.gz IFRQXXSEMNSJMH-QGZVFWFLSA-N 1 0 393.329 2.687 20 0 GFADRO Fc1cc(CN[C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)c(F)cc1Br ZINC000530219936 564873332 /nfs/dbraw/zinc/87/33/32/564873332.db2.gz LLINAJXURNZGET-XFBWCDHKSA-N 1 0 375.257 2.974 20 0 GFADRO CN(C)c1cc(Cl)cc(Cl)c1C[NH2+][C@H]1CCC[C@H]1CNS(C)(=O)=O ZINC000583053615 564873642 /nfs/dbraw/zinc/87/36/42/564873642.db2.gz KZKYIJLXBBVEQQ-NHYWBVRUSA-N 1 0 394.368 2.867 20 0 GFADRO COc1nc(N2CC[N@H+](C)[C@@H](Cc3ccccc3)C2)ncc1Br ZINC000557743143 564874145 /nfs/dbraw/zinc/87/41/45/564874145.db2.gz URIHGHYBXBOEAZ-AWEZNQCLSA-N 1 0 377.286 2.611 20 0 GFADRO Cc1cc(NC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c(F)cc1Br ZINC000497750527 564874521 /nfs/dbraw/zinc/87/45/21/564874521.db2.gz OHJCFGPYWIAJFB-VXGBXAGGSA-N 1 0 398.276 2.578 20 0 GFADRO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)NCc1cc(Br)cc2c1OCC2 ZINC000463256505 564874949 /nfs/dbraw/zinc/87/49/49/564874949.db2.gz NXKTVDSVOBEJPL-INIZCTEOSA-N 1 0 396.329 2.866 20 0 GFADRO NC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1Cc1nc(-c2cccc(Br)c2)c[nH]1 ZINC000530341948 564876438 /nfs/dbraw/zinc/87/64/38/564876438.db2.gz KNBQOWUIIJSFNO-QEORTHHSSA-N 1 0 389.297 2.925 20 0 GFADRO C[C@H](CNC(=O)N1CC[C@@H]2CC[N@H+](C)C[C@@H]21)Oc1ccccc1Br ZINC000497831740 564877271 /nfs/dbraw/zinc/87/72/71/564877271.db2.gz LFJIICVUSWESLB-YCPHGPKFSA-N 1 0 396.329 2.952 20 0 GFADRO CCN(CC)C(=O)C[NH2+][C@H](C)c1ccc(Br)cc1OCCCO ZINC000463376121 564878476 /nfs/dbraw/zinc/87/84/76/564878476.db2.gz OICIHZLLQGQCBG-CYBMUJFWSA-N 1 0 387.318 2.729 20 0 GFADRO CC[C@@H]([NH2+]C1CCC2(CC1)NC(=O)NC2=O)c1nc(C(F)(F)F)cs1 ZINC000557831769 564879666 /nfs/dbraw/zinc/87/96/66/564879666.db2.gz HAMYWPUCFONOKK-ZYTOWTHASA-N 1 0 376.404 2.723 20 0 GFADRO Cn1cc(N2CCC[C@@H]([N@H+](C)CCc3cccc(Br)c3)C2=O)cn1 ZINC000463413122 564880471 /nfs/dbraw/zinc/88/04/71/564880471.db2.gz JRQLLGRAOXDTPX-QGZVFWFLSA-N 1 0 391.313 2.853 20 0 GFADRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1S(=O)(=O)c1cc(Br)ccc1F ZINC000557854681 564882414 /nfs/dbraw/zinc/88/24/14/564882414.db2.gz ZLUPIORXTJOYQX-BXUZGUMPSA-N 1 0 391.306 2.836 20 0 GFADRO O=S(=O)(c1ccc(Cl)s1)N1CCC[N@@H+](C[C@H]2CCCC[C@H]2O)CC1 ZINC000583247354 564882393 /nfs/dbraw/zinc/88/23/93/564882393.db2.gz FDYJUFFQWGLASB-ZIAGYGMSSA-N 1 0 392.974 2.649 20 0 GFADRO C[C@H]1CCCC[N@@H+]1CCC(=O)N[C@H]1CN(c2ccc(Br)cc2)C1=O ZINC000557918082 564885241 /nfs/dbraw/zinc/88/52/41/564885241.db2.gz OCJPIPIQAWAAGZ-BBRMVZONSA-N 1 0 394.313 2.545 20 0 GFADRO C[C@@H]1C[NH+](CCCNC(=O)COc2cc(Cl)cc(Cl)c2)C[C@@H](C)O1 ZINC000498041149 564885870 /nfs/dbraw/zinc/88/58/70/564885870.db2.gz HSKKGMOFHQHUFP-CHWSQXEVSA-N 1 0 375.296 2.988 20 0 GFADRO C[N@H+]1CC=C(CNC(=O)c2c(Cl)cccc2I)CC1 ZINC000463678696 564887322 /nfs/dbraw/zinc/88/73/22/564887322.db2.gz KKBQPTKDTGJFOT-UHFFFAOYSA-N 1 0 390.652 2.936 20 0 GFADRO [NH3+][C@H](CC(F)F)C(=O)N1CCC[C@@H]1c1ccccc1I ZINC000498216270 564891831 /nfs/dbraw/zinc/89/18/31/564891831.db2.gz NXKQCCHXCSCROU-VXGBXAGGSA-N 1 0 394.203 2.937 20 0 GFADRO CCOC(=O)C[C@@H](NC(=O)[C@H]([NH3+])CC(F)F)c1ccc(Br)cc1 ZINC000498203362 564891951 /nfs/dbraw/zinc/89/19/51/564891951.db2.gz YPWKURWBPPGIDX-VXGBXAGGSA-N 1 0 393.228 2.542 20 0 GFADRO C[C@H]1C[N@@H+]([C@H]2CC(=O)N(c3ccc(I)cc3)C2=O)C[C@H]1C ZINC000530728391 564893254 /nfs/dbraw/zinc/89/32/54/564893254.db2.gz UMNWPIOIWFTSQV-WDMOLILDSA-N 1 0 398.244 2.511 20 0 GFADRO [NH3+]C[C@@H](NC(=O)Cc1ccc(I)cc1)C1CCCCC1 ZINC000583494652 564894275 /nfs/dbraw/zinc/89/42/75/564894275.db2.gz ZXNMYMDFIVVVKI-OAHLLOKOSA-N 1 0 386.277 2.858 20 0 GFADRO CC[C@H]([NH2+][C@@H]1CCCN(S(=O)(=O)N(C)C)C1)c1cc(Cl)ccc1OC ZINC000558255427 564896138 /nfs/dbraw/zinc/89/61/38/564896138.db2.gz GKZCOVXHIFZUHB-ZBFHGGJFSA-N 1 0 389.949 2.660 20 0 GFADRO CC(C)OCC[NH+]1CCN(Cc2cc3c(cc2Br)OCO3)CC1 ZINC000531101462 564901592 /nfs/dbraw/zinc/90/15/92/564901592.db2.gz LLUKXXNGCVOPLO-UHFFFAOYSA-N 1 0 385.302 2.720 20 0 GFADRO CC(C)[N@H+](C)CCNC(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1 ZINC000498576079 564903208 /nfs/dbraw/zinc/90/32/08/564903208.db2.gz QEZUAXZANBOMQR-UHFFFAOYSA-N 1 0 386.945 2.883 20 0 GFADRO CC[C@H]1CC[N@@H+]([C@@H]2CC(=O)N(c3ccc(I)cc3)C2=O)C1 ZINC000531264895 564905532 /nfs/dbraw/zinc/90/55/32/564905532.db2.gz VGCKWSPXLFIYKC-SMDDNHRTSA-N 1 0 398.244 2.655 20 0 GFADRO CC(C)[NH+](CCCNC(=O)NCCCn1cc(Br)cn1)C(C)C ZINC000498733939 564907218 /nfs/dbraw/zinc/90/72/18/564907218.db2.gz FEQXELCRSVSUIO-UHFFFAOYSA-N 1 0 388.354 2.844 20 0 GFADRO CN(C)CC[N@H+](C)CCCNC(=O)c1cc(Cl)cc(Br)c1 ZINC000583837136 564909506 /nfs/dbraw/zinc/90/95/06/564909506.db2.gz XQISOYQWYGQQBQ-UHFFFAOYSA-N 1 0 376.726 2.716 20 0 GFADRO Cc1c(Br)ccnc1NC(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000583860921 564910442 /nfs/dbraw/zinc/91/04/42/564910442.db2.gz XTKMPXZAWQPPDV-TXEJJXNPSA-N 1 0 385.306 2.773 20 0 GFADRO C[N@@H+]1C[C@H](NS(=O)(=O)c2ccc(Br)cc2)[C@H](c2ccccc2)C1 ZINC000498877301 564911558 /nfs/dbraw/zinc/91/15/58/564911558.db2.gz SCCWCAHDFPXJEJ-IRXDYDNUSA-N 1 0 395.322 2.825 20 0 GFADRO CC(C)[N@@H+]1CCO[C@H](C(=O)NCC2(c3ccccc3Br)CC2)C1 ZINC000498933849 564913027 /nfs/dbraw/zinc/91/30/27/564913027.db2.gz NWRRWMTZJLIXDZ-INIZCTEOSA-N 1 0 381.314 2.706 20 0 GFADRO O=C(NC[C@@H]1CCN(c2cccc(Br)c2)C1)[C@H]1CCCCC[NH2+]1 ZINC000584055851 564919042 /nfs/dbraw/zinc/91/90/42/564919042.db2.gz SQVWJVQCAIYMON-WMLDXEAASA-N 1 0 380.330 2.924 20 0 GFADRO O=C(C[NH+]1C[C@@H]2CCC[C@H]2C1)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000464897298 564920439 /nfs/dbraw/zinc/92/04/39/564920439.db2.gz PJHMQBZWCGOONP-KBPBESRZSA-N 1 0 383.323 2.769 20 0 GFADRO CCn1nc(C[NH2+]CCn2cc(Br)ccc2=O)c2ccccc21 ZINC000584153486 564923336 /nfs/dbraw/zinc/92/33/36/564923336.db2.gz ZKWGONBJLVCUPV-UHFFFAOYSA-N 1 0 375.270 2.770 20 0 GFADRO C[C@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)Cn1cc(Br)cn1 ZINC000499436174 564927241 /nfs/dbraw/zinc/92/72/41/564927241.db2.gz BDKSTDZTPXQKGF-GJZGRUSLSA-N 1 0 391.313 2.767 20 0 GFADRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NCCOc1cccc(Br)c1 ZINC000532063923 564927690 /nfs/dbraw/zinc/92/76/90/564927690.db2.gz FZGRBVXVVAUWAQ-LRDDRELGSA-N 1 0 382.302 2.610 20 0 GFADRO CCOC[C@H](O)C[NH2+]C1(Cc2ccc(F)cc2Br)CCOCC1 ZINC000559268023 564928429 /nfs/dbraw/zinc/92/84/29/564928429.db2.gz UWMJMPZYTBZSDP-OAHLLOKOSA-N 1 0 390.293 2.667 20 0 GFADRO CC(C)[C@H](O)C1(C[NH2+]C[C@@H](O)COc2cc(F)cc(Br)c2)CC1 ZINC000584292127 564929437 /nfs/dbraw/zinc/92/94/37/564929437.db2.gz VGDOMPMRCNVNKB-ZBFHGGJFSA-N 1 0 390.293 2.715 20 0 GFADRO C[C@H](NC(=O)C[N@@H+]1CCC[C@@H](CCC(N)=O)C1)c1ccc(Br)cc1 ZINC000559437001 564933033 /nfs/dbraw/zinc/93/30/33/564933033.db2.gz RXBLCVXCNAPMEL-KBPBESRZSA-N 1 0 396.329 2.604 20 0 GFADRO C[C@@H](CNC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1)Oc1cccc(Br)c1 ZINC000466303518 564937726 /nfs/dbraw/zinc/93/77/26/564937726.db2.gz VAIUSBYAOVNXIN-GOEBONIOSA-N 1 0 394.313 2.872 20 0 GFADRO CS(=O)(=O)CC1CCC([NH2+]CC2(N3CCSCC3)CCCCC2)CC1 ZINC000559767138 564939517 /nfs/dbraw/zinc/93/95/17/564939517.db2.gz NRFWMGBVQWFZMB-UHFFFAOYSA-N 1 0 388.643 2.931 20 0 GFADRO C[C@H]1CCC[N@H+](CCNC(=O)C(=O)N(C)Cc2cc(Cl)cc(Cl)c2)C1 ZINC000559760169 564940048 /nfs/dbraw/zinc/94/00/48/564940048.db2.gz ZFMVAXAYKDFVMM-ZDUSSCGKSA-N 1 0 386.323 2.800 20 0 GFADRO Cc1cc(CC(C)(C)C(=O)NC[C@]2(O)CC[N@@H+](C)C2)ccc1Br ZINC000499901730 564940275 /nfs/dbraw/zinc/94/02/75/564940275.db2.gz VSYWIWXRXIQVPM-GOSISDBHSA-N 1 0 383.330 2.509 20 0 GFADRO O=S(=O)(NCCC[NH2+]Cc1ncc(Cl)s1)c1ccccc1Cl ZINC000466406636 564940276 /nfs/dbraw/zinc/94/02/76/564940276.db2.gz LYEGHKPHFVWOOX-UHFFFAOYSA-N 1 0 380.322 2.908 20 0 GFADRO Cc1cc(Br)oc1C(=O)N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000499965642 564941899 /nfs/dbraw/zinc/94/18/99/564941899.db2.gz UQAMZGCGGKAJKF-HUUCEWRRSA-N 1 0 398.345 2.981 20 0 GFADRO C[C@H](CNC(=O)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C)Oc1cccc(Br)c1 ZINC000466543053 564942584 /nfs/dbraw/zinc/94/25/84/564942584.db2.gz DGFGKQTZJPSMQN-AHIWAGSCSA-N 1 0 396.329 2.998 20 0 GFADRO CCC[NH+]1CCC(CNC(=O)c2cc(Br)cnc2N(C)C)CC1 ZINC000500037185 564943429 /nfs/dbraw/zinc/94/34/29/564943429.db2.gz SLSCOLNFDZMZOE-UHFFFAOYSA-N 1 0 383.334 2.762 20 0 GFADRO C[NH+](C)CCc1ccc(CNS(=O)(=O)c2ccc(Br)o2)cc1 ZINC000466854861 564948617 /nfs/dbraw/zinc/94/86/17/564948617.db2.gz XPUQDZNUWXIOIE-UHFFFAOYSA-N 1 0 387.299 2.625 20 0 GFADRO Cc1c(Br)cc(CNC[C@@](C)(O)C[NH+](C)C)cc1Br ZINC000560083134 564949158 /nfs/dbraw/zinc/94/91/58/564949158.db2.gz RGPRIJPUVLAYGU-CQSZACIVSA-N 1 0 394.151 2.922 20 0 GFADRO C[C@@H]1C[C@@H](N(C)C(=O)c2cccc(F)c2I)CC[N@@H+]1C ZINC000533069615 564952776 /nfs/dbraw/zinc/95/27/76/564952776.db2.gz MQSFIPIBBSZOQS-MNOVXSKESA-N 1 0 390.240 2.985 20 0 GFADRO C[C@H](NC(=O)C(=O)NCC1([NH+](C)C)CCC1)c1cc(F)c(Cl)cc1Cl ZINC000500433983 564953601 /nfs/dbraw/zinc/95/36/01/564953601.db2.gz WBEQGNWHEALPHD-JTQLQIEISA-N 1 0 390.286 2.910 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)c1cccc(F)c1I)C1CC1 ZINC000533085816 564953844 /nfs/dbraw/zinc/95/38/44/564953844.db2.gz NNFXYYYAPFCXTG-GFCCVEGCSA-N 1 0 376.213 2.500 20 0 GFADRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1cnn(-c2cccc(Br)c2)c1 ZINC000467048448 564954447 /nfs/dbraw/zinc/95/44/47/564954447.db2.gz RZYALYHFXRSBJJ-SJKOYZFVSA-N 1 0 389.297 2.847 20 0 GFADRO CC[C@@H](Cc1ccccc1Br)C(=O)N[C@@H]1CC[N@H+](CCOC)C1 ZINC000467101405 564955749 /nfs/dbraw/zinc/95/57/49/564955749.db2.gz MXUCGKYDNNJQCD-GOEBONIOSA-N 1 0 383.330 2.855 20 0 GFADRO CCO[C@@H]1C[C@@H]([NH2+]CCCNS(=O)(=O)c2ccccc2Cl)C12CCC2 ZINC000467414065 564962462 /nfs/dbraw/zinc/96/24/62/564962462.db2.gz QMPXDVOGUNYQDU-IAGOWNOFSA-N 1 0 386.945 2.946 20 0 GFADRO O=S(=O)(NCCC[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2)c1ccccc1Cl ZINC000467413607 564962693 /nfs/dbraw/zinc/96/26/93/564962693.db2.gz YFKNJXCPVWNUPJ-IAOVAPTHSA-N 1 0 384.929 2.556 20 0 GFADRO CS(=O)(=O)[C@@H]1CCC[C@@H]([NH2+][C@H](CO)c2ccc(Br)c(F)c2)C1 ZINC000560533449 564966677 /nfs/dbraw/zinc/96/66/77/564966677.db2.gz IVCXFJHYWPUUET-LALPHHSUSA-N 1 0 394.306 2.567 20 0 GFADRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)c2cn3ccc(Br)cc3n2)C1 ZINC000560557819 564967507 /nfs/dbraw/zinc/96/75/07/564967507.db2.gz ZPMZIWYLMSLXHR-ZDUSSCGKSA-N 1 0 379.302 2.805 20 0 GFADRO C[C@H](NC1CC[NH+](CCC(=O)N(C)C)CC1)c1nc(C(F)(F)F)cs1 ZINC000467743430 564971187 /nfs/dbraw/zinc/97/11/87/564971187.db2.gz PJGCDLIICSMBGQ-NSHDSACASA-N 1 0 378.464 2.755 20 0 GFADRO Cc1cc(Br)ccc1C(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000501155256 564972223 /nfs/dbraw/zinc/97/22/23/564972223.db2.gz URVZMQKSJHLCPJ-KRWDZBQOSA-N 1 0 394.357 3.000 20 0 GFADRO Cc1c(Br)cccc1S(=O)(=O)N1CCC(C[NH+](C)C)CC1 ZINC000501192685 564973362 /nfs/dbraw/zinc/97/33/62/564973362.db2.gz SCCZXEBZRSEDHF-UHFFFAOYSA-N 1 0 375.332 2.720 20 0 GFADRO C[C@H](CNC(=O)CCC[S@@](=O)c1ccc(Br)cc1)C[NH+](C)C ZINC000560706782 564973323 /nfs/dbraw/zinc/97/33/23/564973323.db2.gz NFDXHKISMBMKLI-MCMMXHMISA-N 1 0 389.359 2.651 20 0 GFADRO CC[NH+](CC)C[C@@H](C)NC(=O)CCNC(=O)Nc1ccc(Br)cc1 ZINC000501259362 564975215 /nfs/dbraw/zinc/97/52/15/564975215.db2.gz SFSSMVLJKKMDRE-CYBMUJFWSA-N 1 0 399.333 2.807 20 0 GFADRO C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+]1CCC[C@@H]([C@H](C)O)C1 ZINC000534110427 564979596 /nfs/dbraw/zinc/97/95/96/564979596.db2.gz YTGXQAPGJQLTRU-IJEWVQPXSA-N 1 0 383.330 2.889 20 0 GFADRO CC1CC[NH+](CCNC(=O)N2CCN(Cc3ccc(Cl)s3)CC2)CC1 ZINC000501548177 564982571 /nfs/dbraw/zinc/98/25/71/564982571.db2.gz DSAVFXUONVUVKS-UHFFFAOYSA-N 1 0 384.977 2.961 20 0 GFADRO C[NH+](C)CCCCC(=O)N(CCn1ccnc1)Cc1ccc(Br)o1 ZINC000561048071 564982592 /nfs/dbraw/zinc/98/25/92/564982592.db2.gz HLYXYCXYRHSLTH-UHFFFAOYSA-N 1 0 397.317 2.999 20 0 GFADRO CCN(C(=O)CN1C[C@@H]([NH+](C)C)[C@@H](SC)C1)c1nc2ccccc2s1 ZINC000534217551 564982968 /nfs/dbraw/zinc/98/29/68/564982968.db2.gz FTWJEWOTZXWDKC-ZBFHGGJFSA-N 1 0 378.567 2.627 20 0 GFADRO CCc1csc(-n2cc(C(=O)NC[C@H](c3cccs3)[NH+](C)C)cn2)n1 ZINC000534248827 564983761 /nfs/dbraw/zinc/98/37/61/564983761.db2.gz HJMVZNGEEUAOCQ-CQSZACIVSA-N 1 0 375.523 2.985 20 0 GFADRO C[N@H+](CC(=O)NCCNc1ncc(C(F)(F)F)cc1Cl)[C@@H]1CCSC1 ZINC000534268900 564983847 /nfs/dbraw/zinc/98/38/47/564983847.db2.gz WBJJJTDCOMSTJE-LLVKDONJSA-N 1 0 396.866 2.719 20 0 GFADRO C[NH+]1CCC([C@H]2CCN(S(=O)(=O)c3ccc(Br)s3)C2)CC1 ZINC000534405109 564987570 /nfs/dbraw/zinc/98/75/70/564987570.db2.gz OPVTWUUPRCGIJR-LBPRGKRZSA-N 1 0 393.372 2.863 20 0 GFADRO CC(C)[NH+]1CCC(C(=O)NCc2cc(Br)c3c(c2)OCCO3)CC1 ZINC000468735643 564992179 /nfs/dbraw/zinc/99/21/79/564992179.db2.gz RVZDPAUZEMRZQM-UHFFFAOYSA-N 1 0 397.313 2.957 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)NC1CCN(CC(F)(F)F)CC1)c1ccsc1 ZINC000502122128 564992332 /nfs/dbraw/zinc/99/23/32/564992332.db2.gz HNUHTLPLERSNNE-CQSZACIVSA-N 1 0 378.464 2.677 20 0 GFADRO CCC[N@@H+]1CCC[C@H]1CNC(=O)Cc1cccc(I)c1 ZINC000561426161 564994663 /nfs/dbraw/zinc/99/46/63/564994663.db2.gz IFGZOGLNVSZKSK-HNNXBMFYSA-N 1 0 386.277 2.824 20 0 GFADRO CS[C@@H]1CN(C(=O)CSc2ccc(C(F)(F)F)cn2)C[C@@H]1[NH+](C)C ZINC000534827535 564996978 /nfs/dbraw/zinc/99/69/78/564996978.db2.gz NGLRPJOFSDGXDQ-NWDGAFQWSA-N 1 0 379.473 2.697 20 0 GFADRO CC[C@H]1C[N@H+](CCCOc2cccc(I)c2)C[C@@H]1O ZINC000534863385 564997778 /nfs/dbraw/zinc/99/77/78/564997778.db2.gz BDFNJCGHJNGAEI-WFASDCNBSA-N 1 0 375.250 2.763 20 0 GFADRO C[C@H](O)[C@H]1CCC[N@H+](C[C@@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000534845311 564998023 /nfs/dbraw/zinc/99/80/23/564998023.db2.gz YJUVRBSBIQXYFB-SGMGOOAPSA-N 1 0 392.721 2.935 20 0 GFADRO CS[C@@H]1CN([C@@H](C)C(=O)Nc2cccc(Br)c2)C[C@H]1[NH+](C)C ZINC000534951387 565000817 /nfs/dbraw/zinc/00/08/17/565000817.db2.gz BPMMOWSALDNBRB-NILFDRSVSA-N 1 0 386.359 2.754 20 0 GFADRO C[NH+](C)Cc1ccc(CNC(=O)c2c[nH]c(=O)c(Br)c2)cc1F ZINC000535001156 565002525 /nfs/dbraw/zinc/00/25/25/565002525.db2.gz BGUIUKILLMRVGB-UHFFFAOYSA-N 1 0 382.233 2.680 20 0 GFADRO COc1cc(Br)cc(NC(=O)NCCCC[NH+]2CCN(C)CC2)c1 ZINC000535038154 565002864 /nfs/dbraw/zinc/00/28/64/565002864.db2.gz KDWXVXRVIVLPHZ-UHFFFAOYSA-N 1 0 399.333 2.607 20 0 GFADRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cc(Br)c(C)n(C)c1=O ZINC000469111374 565006094 /nfs/dbraw/zinc/00/60/94/565006094.db2.gz WQKSYKUAMLRSLL-CQSZACIVSA-N 1 0 398.345 2.841 20 0 GFADRO Cc1cc(I)ccc1NC(=O)NCCNc1cc[nH+]cc1 ZINC000535262426 565008905 /nfs/dbraw/zinc/00/89/05/565008905.db2.gz VCOHLTZQWMUJFB-UHFFFAOYSA-N 1 0 396.232 2.650 20 0 GFADRO C[C@@H]([NH2+]C[C@H](O)CN1C[C@@H](C)O[C@@H](C)C1)c1ccc(Br)cc1F ZINC000561796568 565009648 /nfs/dbraw/zinc/00/96/48/565009648.db2.gz AULHUFNXBHYFNX-COMQUAJESA-N 1 0 389.309 2.709 20 0 GFADRO Cc1ccc(OC[C@@H](O)C[N@H+](C)CCn2cc(Br)cn2)c(C)c1 ZINC000561796856 565009785 /nfs/dbraw/zinc/00/97/85/565009785.db2.gz GAUQGNKPNOTXPD-INIZCTEOSA-N 1 0 382.302 2.634 20 0 GFADRO C[C@@H]([NH2+][C@@H](C)C(=O)NC[C@@H]1CCS(=O)(=O)C1)c1ccc(Cl)c(Cl)c1 ZINC000561826621 565010391 /nfs/dbraw/zinc/01/03/91/565010391.db2.gz DHDWLFFBOAFRQR-WOPDTQHZSA-N 1 0 393.336 2.583 20 0 GFADRO Cn1ccnc1[C@@H]1CC[N@H+](Cc2cc3c(cc2Br)OCCO3)C1 ZINC000535312526 565010518 /nfs/dbraw/zinc/01/05/18/565010518.db2.gz GQYXUULAUUPDLN-GFCCVEGCSA-N 1 0 378.270 2.943 20 0 GFADRO CC(C)C[C@H](NC(=O)Cc1cccc(Cl)c1Cl)C(=O)NCC[NH+](C)C ZINC000469291834 565012104 /nfs/dbraw/zinc/01/21/04/565012104.db2.gz VQLJLRXVADPLLF-HNNXBMFYSA-N 1 0 388.339 2.745 20 0 GFADRO COc1cccc(NC(=O)C[C@H](C)[NH2+]Cc2ccc(S(C)(=O)=O)s2)c1 ZINC000469297216 565012271 /nfs/dbraw/zinc/01/22/71/565012271.db2.gz JOKWZJXRYHMFAH-LBPRGKRZSA-N 1 0 382.507 2.667 20 0 GFADRO COC(=O)[C@]1(C)C[N@@H+]([C@H](C)C(=O)Nc2cccc(Br)c2)C[C@H]1C ZINC000503206050 565013894 /nfs/dbraw/zinc/01/38/94/565013894.db2.gz GNLKRMGJVZFDIX-PSTGCABASA-N 1 0 383.286 2.907 20 0 GFADRO O=S(=O)(CCOc1ccccc1)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000561991594 565014681 /nfs/dbraw/zinc/01/46/81/565014681.db2.gz YVHBLFLGVBRDRZ-QGZVFWFLSA-N 1 0 380.535 2.883 20 0 GFADRO COCC(=O)N1CCC([NH2+][C@@H]2CCc3c2c(Br)ccc3F)CC1 ZINC000535508840 565014948 /nfs/dbraw/zinc/01/49/48/565014948.db2.gz VOIZZVSYZNCCDX-OAHLLOKOSA-N 1 0 385.277 2.803 20 0 GFADRO Cc1csc(C(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1I ZINC000469377873 565015765 /nfs/dbraw/zinc/01/57/65/565015765.db2.gz XEVZAWBMNQPVHF-VHSXEESVSA-N 1 0 378.279 2.874 20 0 GFADRO CCn1cc(CC[N@H+](CCNC(C)=O)Cc2ccc(Br)s2)cn1 ZINC000503268005 565016164 /nfs/dbraw/zinc/01/61/64/565016164.db2.gz VMPFHGFCWVTBSQ-UHFFFAOYSA-N 1 0 399.358 2.908 20 0 GFADRO COC(=O)[C@@H](c1ccc(Cl)c(Cl)c1)N(C)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000562035916 565016605 /nfs/dbraw/zinc/01/66/05/565016605.db2.gz BYGGFPMASDKSST-XJKSGUPXSA-N 1 0 375.296 2.594 20 0 GFADRO O=C(CC[NH+]1CCC(c2ccc(Br)cc2)CC1)N1CCOCC1 ZINC000503371628 565018711 /nfs/dbraw/zinc/01/87/11/565018711.db2.gz TXPVZXGIHWYFGP-UHFFFAOYSA-N 1 0 381.314 2.877 20 0 GFADRO CC[NH+](CC)[C@@H]1CCN(C(=O)[C@H]2CC(=O)Nc3ccc(Br)cc32)C1 ZINC000469502078 565019297 /nfs/dbraw/zinc/01/92/97/565019297.db2.gz SRGJCRQMRIYMDO-HIFRSBDPSA-N 1 0 394.313 2.818 20 0 GFADRO CC(C)[N@@H+](C)C[C@H](C)NC(=O)NCc1cc2c(c(Br)c1)OCO2 ZINC000562253849 565022222 /nfs/dbraw/zinc/02/22/22/565022222.db2.gz JGQMZZWWIUQHCR-NSHDSACASA-N 1 0 386.290 2.706 20 0 GFADRO CCCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@H+](C[C@@H](O)CC(F)(F)F)C1 ZINC000469607815 565022414 /nfs/dbraw/zinc/02/24/14/565022414.db2.gz WGEIMAGKOAESFQ-NEPJUHHUSA-N 1 0 378.357 2.813 20 0 GFADRO C[NH+](C)CCOc1ccccc1CNS(=O)(=O)c1cc(F)cc(Cl)c1 ZINC000535913953 565024772 /nfs/dbraw/zinc/02/47/72/565024772.db2.gz KDDBZNNTDIMZIZ-UHFFFAOYSA-N 1 0 386.876 2.898 20 0 GFADRO CCC[C@H]([NH2+]C(C)C)C(=O)N1CCNC(=O)[C@H]1c1ccccc1Br ZINC000503664659 565025641 /nfs/dbraw/zinc/02/56/41/565025641.db2.gz WDVXBKFVZSXWSF-JKSUJKDBSA-N 1 0 396.329 2.615 20 0 GFADRO C[C@@H](Cc1ccc(Br)cc1)NC(=O)NCCNc1cc[nH+]cc1 ZINC000536018480 565026778 /nfs/dbraw/zinc/02/67/78/565026778.db2.gz OZCFUNINKDCXCF-ZDUSSCGKSA-N 1 0 377.286 2.608 20 0 GFADRO CCc1ccc(S(=O)(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)s1 ZINC000503779816 565027863 /nfs/dbraw/zinc/02/78/63/565027863.db2.gz XUEWFWSSGAUNKS-UHFFFAOYSA-N 1 0 386.583 2.824 20 0 GFADRO COc1cc(Br)ccc1CCC[N@@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O ZINC000469832088 565028633 /nfs/dbraw/zinc/02/86/33/565028633.db2.gz RFEKLJXXIBCNAS-JLJPHGGASA-N 1 0 381.314 2.976 20 0 GFADRO CCOC(=O)c1sc2ncnc(N3C[C@@H](SC)[C@@H]([NH+](C)C)C3)c2c1C ZINC000536174722 565031587 /nfs/dbraw/zinc/03/15/87/565031587.db2.gz WBTHBPGADBMCRW-NWDGAFQWSA-N 1 0 380.539 2.658 20 0 GFADRO Cn1cc(I)c(C[NH2+]C2CCC3(CCCO3)CC2)n1 ZINC000562523140 565032426 /nfs/dbraw/zinc/03/24/26/565032426.db2.gz YPAQGMDPEFJNAG-UHFFFAOYSA-N 1 0 375.254 2.606 20 0 GFADRO CO[C@H](CCNC(=O)c1ccc(C[NH+]2CCSCC2)cc1)C(F)(F)F ZINC000469962525 565033229 /nfs/dbraw/zinc/03/32/29/565033229.db2.gz KOGWLLWROFNLPT-OAHLLOKOSA-N 1 0 376.444 2.933 20 0 GFADRO O=C(COc1ccc(Cl)cc1Cl)N1CC[NH+](CCCCCO)CC1 ZINC000469998958 565034598 /nfs/dbraw/zinc/03/45/98/565034598.db2.gz JOVRBZVXHVSTNZ-UHFFFAOYSA-N 1 0 375.296 2.679 20 0 GFADRO CCn1ccnc1C[NH2+]C[C@H](CO)Cc1ccc(OC)c(Br)c1 ZINC000562670313 565038066 /nfs/dbraw/zinc/03/80/66/565038066.db2.gz NDLSPAONNKPWMB-CQSZACIVSA-N 1 0 382.302 2.615 20 0 GFADRO C[C@@H](Oc1ccc(Br)cc1)C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000470105032 565038304 /nfs/dbraw/zinc/03/83/04/565038304.db2.gz ULWCJQUVEJWKFF-HUUCEWRRSA-N 1 0 399.329 2.834 20 0 GFADRO CCc1csc(-n2cc(C(=O)NC[C@@H](c3ccsc3)[NH+](C)C)cn2)n1 ZINC000536505049 565039321 /nfs/dbraw/zinc/03/93/21/565039321.db2.gz KVQQIBSKLPIEGW-HNNXBMFYSA-N 1 0 375.523 2.985 20 0 GFADRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N[C@H](CO)c2ccc(Br)cc2)C1 ZINC000504666158 565042971 /nfs/dbraw/zinc/04/29/71/565042971.db2.gz PBXOQKHRFWEECA-WMLDXEAASA-N 1 0 398.345 2.902 20 0 GFADRO CN1CCN(C(=O)N[C@H](c2ccc(Br)cc2)C2CCC2)[C@@H](C[NH3+])C1 ZINC000562790983 565043396 /nfs/dbraw/zinc/04/33/96/565043396.db2.gz CCRGCMBNXJHVIL-IRXDYDNUSA-N 1 0 395.345 2.575 20 0 GFADRO O=C(NC[C@H]1C[NH2+]CCCO1)N1CC=C(c2cccc(Br)c2)CC1 ZINC000562820718 565044810 /nfs/dbraw/zinc/04/48/10/565044810.db2.gz BEXYIZHRBLJRIT-QGZVFWFLSA-N 1 0 394.313 2.626 20 0 GFADRO COc1cc(C(=O)Nc2cnc3c(c2)C[C@H]([NH3+])CC3)sc1Br ZINC000470455870 565046875 /nfs/dbraw/zinc/04/68/75/565046875.db2.gz LFRNQTCCZITJJZ-SECBINFHSA-N 1 0 382.283 2.983 20 0 GFADRO C[C@H](C[NH3+])NC(=O)c1nn(-c2ccc(Br)cc2)c2c1CCCC2 ZINC000470464275 565048067 /nfs/dbraw/zinc/04/80/67/565048067.db2.gz OXQLYTGNCARECW-LLVKDONJSA-N 1 0 377.286 2.591 20 0 GFADRO COc1ccc(Br)c(NC(=O)c2cnn([C@@H]3CCC[NH2+]C3)c2)c1 ZINC000562958320 565049210 /nfs/dbraw/zinc/04/92/10/565049210.db2.gz DHCOHSZGCGMJDL-GFCCVEGCSA-N 1 0 379.258 2.831 20 0 GFADRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NCc1nc2c(cccc2Br)[nH]1 ZINC000563036977 565052866 /nfs/dbraw/zinc/05/28/66/565052866.db2.gz ZCPVMJRSWPOQBB-IINYFYTJSA-N 1 0 392.301 2.607 20 0 GFADRO O=C(NCc1ccc(F)cc1)c1nnc(CSCC2CC[NH2+]CC2)s1 ZINC000563080853 565055446 /nfs/dbraw/zinc/05/54/46/565055446.db2.gz NFOGNWXVSVOIPM-UHFFFAOYSA-N 1 0 380.514 2.840 20 0 GFADRO [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)c1ccc(I)c(F)c1 ZINC000563115188 565055970 /nfs/dbraw/zinc/05/59/70/565055970.db2.gz NMZGQMBANRZQBP-FOCQTFQBSA-N 1 0 388.224 2.676 20 0 GFADRO O[C@@H](C[NH2+]C[C@H]1CCC[C@@H]1O)COc1ccc(Cl)cc1Br ZINC000563138500 565056956 /nfs/dbraw/zinc/05/69/56/565056956.db2.gz OWOOMZAWMTWRJL-OSMZGAPFSA-N 1 0 378.694 2.593 20 0 GFADRO CN([C@@H](C[NH3+])C1CC1)S(=O)(=O)Cc1ccc(Cl)cc1Br ZINC000563129558 565057009 /nfs/dbraw/zinc/05/70/09/565057009.db2.gz AGDBKQWNDGKOKR-ZDUSSCGKSA-N 1 0 381.723 2.601 20 0 GFADRO O=S1(=O)CC[C@]2(C1)C[C@@H]([NH2+]Cc1ncc(-c3ccccc3)s1)CCO2 ZINC000537385153 565057678 /nfs/dbraw/zinc/05/76/78/565057678.db2.gz JYVAVLMQMXTDOY-MAUKXSAKSA-N 1 0 378.519 2.636 20 0 GFADRO Cc1ccccc1C[N@@H+]1CCCN(C(=O)Cn2cc(Br)cn2)CC1 ZINC000613660819 565076606 /nfs/dbraw/zinc/07/66/06/565076606.db2.gz FDNAOVAUBFLMKC-UHFFFAOYSA-N 1 0 391.313 2.689 20 0 GFADRO CC(C)(CNC(=O)C(=O)N1CCC[C@@H](C[NH3+])C1)c1c(Cl)cccc1Cl ZINC000584341311 565076711 /nfs/dbraw/zinc/07/67/11/565076711.db2.gz FIBSZUQMXKYTBH-LBPRGKRZSA-N 1 0 386.323 2.585 20 0 GFADRO C[C@@H](NC(=O)Nc1ccc2c(c1)C[NH2+]CCO2)c1ncc(Br)cn1 ZINC000584579293 565089218 /nfs/dbraw/zinc/08/92/18/565089218.db2.gz ZXOVUPGYICXTIK-SNVBAGLBSA-N 1 0 392.257 2.604 20 0 GFADRO CS[C@H]1CN(S(=O)(=O)c2ccc(F)c(Cl)c2)C[C@@H]1[NH+]1CCCC1 ZINC000613984303 565089264 /nfs/dbraw/zinc/08/92/64/565089264.db2.gz LFZFDGAEBLMHNI-GJZGRUSLSA-N 1 0 378.922 2.679 20 0 GFADRO CCOc1c(Br)cc(C(=O)N2CCC3(CC[NH2+]3)CC2)cc1OC ZINC000584714964 565093715 /nfs/dbraw/zinc/09/37/15/565093715.db2.gz XCWWSEVITMBMFE-UHFFFAOYSA-N 1 0 383.286 2.825 20 0 GFADRO C[NH+](C)C[C@@]1(O)CCCN(C(=O)c2ccc(Br)c(Cl)c2)C1 ZINC000614067229 565094473 /nfs/dbraw/zinc/09/44/73/565094473.db2.gz QNPCAYXBEPRVIE-HNNXBMFYSA-N 1 0 375.694 2.631 20 0 GFADRO C[N@H+]1C[C@H]2CN(C(=O)c3cc(-c4cccc(Br)c4)no3)C[C@H]2C1 ZINC000614126017 565096926 /nfs/dbraw/zinc/09/69/26/565096926.db2.gz YVTWLVFDOOQVOF-BETUJISGSA-N 1 0 376.254 2.738 20 0 GFADRO CC[C@@H]1C[C@@H]([NH2+]CCCNC(=O)c2cc(OC)ccc2Br)CO1 ZINC000657357457 565097107 /nfs/dbraw/zinc/09/71/07/565097107.db2.gz CXMXTRZWCPLWAL-CHWSQXEVSA-N 1 0 385.302 2.735 20 0 GFADRO OC[C@H](C[NH2+]Cc1ccnn1CC1CC1)Cc1ccc(Br)cc1 ZINC000657449231 565102054 /nfs/dbraw/zinc/10/20/54/565102054.db2.gz RNICAQRKRRTFFM-INIZCTEOSA-N 1 0 378.314 2.996 20 0 GFADRO CS(=O)(=O)N[C@@H]1CCCC[C@H]1C[NH2+]Cc1cc(F)ccc1OC(F)F ZINC000657464911 565102444 /nfs/dbraw/zinc/10/24/44/565102444.db2.gz SZTLSKUDDAFHBJ-SMDDNHRTSA-N 1 0 380.432 2.625 20 0 GFADRO CS(=O)(=O)N[C@H]1CCCC[C@@H]1C[NH2+]Cc1cccc(F)c1OC(F)F ZINC000657464966 565102463 /nfs/dbraw/zinc/10/24/63/565102463.db2.gz UHUXCJQOKCNTJT-RISCZKNCSA-N 1 0 380.432 2.625 20 0 GFADRO O=C(NCC12CCC[NH+]1CCC2)[C@@H]1CCO[C@H]1c1cncc(Br)c1 ZINC000614230332 565102901 /nfs/dbraw/zinc/10/29/01/565102901.db2.gz PMLKXFDMASKWRG-CVEARBPZSA-N 1 0 394.313 2.666 20 0 GFADRO O=C(NCc1ccncc1Br)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000636309096 565105614 /nfs/dbraw/zinc/10/56/14/565105614.db2.gz VCPPYNPVCBIPNN-CQSZACIVSA-N 1 0 384.343 2.678 20 0 GFADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+]CCC1CC(OC)C1 ZINC000657529200 565106133 /nfs/dbraw/zinc/10/61/33/565106133.db2.gz RRDUYTJWUKKFJO-VEAWUBTESA-N 1 0 399.329 2.867 20 0 GFADRO COc1ccc(CN2CCN([C@@H]3CCC[N@H+](C)C3)CC2)c(Br)c1 ZINC000685417718 565107085 /nfs/dbraw/zinc/10/70/85/565107085.db2.gz WHFHFPIKEPVBKG-MRXNPFEDSA-N 1 0 382.346 2.670 20 0 GFADRO CO[C@H](C[NH2+]Cc1c(Br)cncc1Br)[C@@H]1CCOC1 ZINC000657540600 565107313 /nfs/dbraw/zinc/10/73/13/565107313.db2.gz IRJCAUGFNIDGIO-NOZJJQNGSA-N 1 0 394.107 2.748 20 0 GFADRO COC[C@H](CC[NH2+]Cc1ncc(Br)cc1Br)OC ZINC000657554924 565107481 /nfs/dbraw/zinc/10/74/81/565107481.db2.gz RERVECCEAJZKFZ-JTQLQIEISA-N 1 0 382.096 2.748 20 0 GFADRO CC[C@H]1C[N@H+](C)CCCN1C(=O)COc1ccc(Br)cc1C(C)=O ZINC000614343773 565108131 /nfs/dbraw/zinc/10/81/31/565108131.db2.gz YSWQHHTXUIKBSM-HNNXBMFYSA-N 1 0 397.313 2.973 20 0 GFADRO C[C@H](Cc1ccc(F)cc1)[NH2+]CCNC(=O)c1ccc(Br)cn1 ZINC000657563155 565109168 /nfs/dbraw/zinc/10/91/68/565109168.db2.gz HDCBFOJCDJAJTC-GFCCVEGCSA-N 1 0 380.261 2.934 20 0 GFADRO CC[NH+](CC)CC[C@H](CO)NC(=O)Cc1c(Cl)cccc1Br ZINC000614348962 565109899 /nfs/dbraw/zinc/10/98/99/565109899.db2.gz RAYGVOHCXUKSRU-GFCCVEGCSA-N 1 0 391.737 2.854 20 0 GFADRO C[N@H+](C[C@H](O)CN1CCc2[nH]c3ccc(Br)cc3c2C1)C1CC1 ZINC000685567991 565111477 /nfs/dbraw/zinc/11/14/77/565111477.db2.gz CSWGGADEHXDWDC-AWEZNQCLSA-N 1 0 378.314 2.744 20 0 GFADRO COc1ccc(N2C[C@@H]([NH2+]Cc3cncc(Br)c3)CC2=O)cc1 ZINC000657600335 565111988 /nfs/dbraw/zinc/11/19/88/565111988.db2.gz BXVWLZGLXJJSLL-AWEZNQCLSA-N 1 0 376.254 2.748 20 0 GFADRO O=C(NC[C@H]1C[N@@H+]2CCN1CCC2)c1cnc(-c2ccccc2Cl)s1 ZINC000614507186 565116696 /nfs/dbraw/zinc/11/66/96/565116696.db2.gz NWBOUQOWVKAFMS-ZDUSSCGKSA-N 1 0 376.913 2.583 20 0 GFADRO C[C@H](CC(=O)NC[C@H]1C[N@@H+]2CCN1CCC2)c1ccc(F)c(Br)c1 ZINC000614502909 565117077 /nfs/dbraw/zinc/11/70/77/565117077.db2.gz DTZHBAYMXLHLAN-HIFRSBDPSA-N 1 0 398.320 2.588 20 0 GFADRO COC(=O)C[C@@](C)([NH2+]CCn1ccccc1=O)c1ccc(Br)cc1 ZINC000586782454 565117562 /nfs/dbraw/zinc/11/75/62/565117562.db2.gz YACJZFYOMOGYSQ-GOSISDBHSA-N 1 0 393.281 2.679 20 0 GFADRO CSc1ccc(Cl)c(NC(=O)C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000657667980 565117881 /nfs/dbraw/zinc/11/78/81/565117881.db2.gz VXBWPCJEOQYWFO-CYBMUJFWSA-N 1 0 381.929 2.945 20 0 GFADRO O=C(COc1c(Cl)cc(Cl)cc1Cl)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000614515403 565118209 /nfs/dbraw/zinc/11/82/09/565118209.db2.gz VNKMVUSNKUWWIX-GFCCVEGCSA-N 1 0 392.714 2.532 20 0 GFADRO OCc1cn(CCC[NH2+][C@H]2CCc3c2cc(Cl)cc3Br)nn1 ZINC000685657631 565118323 /nfs/dbraw/zinc/11/83/23/565118323.db2.gz LVKDYBHDLBCTMN-HNNXBMFYSA-N 1 0 385.693 2.854 20 0 GFADRO CSc1ccc(Cl)c(NC(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c1 ZINC000657738269 565124753 /nfs/dbraw/zinc/12/47/53/565124753.db2.gz PBMNTOGOGKHPLQ-MLGOLLRUSA-N 1 0 381.929 2.943 20 0 GFADRO Cc1cc(Br)cn2c(C[NH2+]C3CCN([C@@H]4CCOC4)CC3)cnc12 ZINC000657753135 565126214 /nfs/dbraw/zinc/12/62/14/565126214.db2.gz ULLDABPDZVPOJU-MRXNPFEDSA-N 1 0 393.329 2.748 20 0 GFADRO C[N@@H+]1CCC[C@@H](N2CCN(c3noc4ccc(Br)cc43)CC2)C1 ZINC000685908209 565129957 /nfs/dbraw/zinc/12/99/57/565129957.db2.gz VKPMKKAIAJCRQM-CQSZACIVSA-N 1 0 379.302 2.807 20 0 GFADRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1cc(Br)cc2c1OCCO2 ZINC000614725035 565130440 /nfs/dbraw/zinc/13/04/40/565130440.db2.gz PKAPASCCEZEDNR-OCCSQVGLSA-N 1 0 395.297 2.919 20 0 GFADRO CC1(C)[C@H]([NH2+]Cc2ccc(S(=O)(=O)N3CCOCC3)s2)[C@@H]2CCC[C@@H]21 ZINC000657833957 565132706 /nfs/dbraw/zinc/13/27/06/565132706.db2.gz HZZFSZZLNMCLKB-HLLBOEOZSA-N 1 0 384.567 2.683 20 0 GFADRO CC[N@H+](CCNC(=O)NCC(=O)Nc1ccc(Br)cc1C)C(C)C ZINC000588266908 565132732 /nfs/dbraw/zinc/13/27/32/565132732.db2.gz HYDPYOOPEUCVJE-UHFFFAOYSA-N 1 0 399.333 2.726 20 0 GFADRO CC(C)[C@@H](Cc1ccc(Br)cc1)[NH2+]CCCN(C)S(C)(=O)=O ZINC000657834467 565132914 /nfs/dbraw/zinc/13/29/14/565132914.db2.gz PMQBYNXIDPOBGJ-MRXNPFEDSA-N 1 0 391.375 2.887 20 0 GFADRO CCN(CCC[NH+](C)C)C(=O)C(=O)Nc1ccc(Br)c(F)c1C ZINC000657883359 565135309 /nfs/dbraw/zinc/13/53/09/565135309.db2.gz CCEXIXXISVMICQ-UHFFFAOYSA-N 1 0 388.281 2.635 20 0 GFADRO CC[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000657932290 565138440 /nfs/dbraw/zinc/13/84/40/565138440.db2.gz LAPRXBDZRGPPMP-ZBFHGGJFSA-N 1 0 378.460 2.898 20 0 GFADRO CCCC[N@H+](C)C[C@@H](C)NC(=O)c1cc(Br)cc2[nH]c(=O)[nH]c21 ZINC000614980148 565140462 /nfs/dbraw/zinc/14/04/62/565140462.db2.gz ZXGBFVPSAQYJME-SNVBAGLBSA-N 1 0 383.290 2.881 20 0 GFADRO C[C@@H]1COCC[N@@H+]1C1CCN(C(=O)Cc2ccc(Br)s2)CC1 ZINC000615089850 565144850 /nfs/dbraw/zinc/14/48/50/565144850.db2.gz NXQZEVPWQWBBJW-GFCCVEGCSA-N 1 0 387.343 2.765 20 0 GFADRO COc1ccc(Br)cc1C(=O)N1CCC([N@@H+]2CCOC[C@@H]2C)CC1 ZINC000615089452 565145239 /nfs/dbraw/zinc/14/52/39/565145239.db2.gz KBEZIFDLWNERKF-ZDUSSCGKSA-N 1 0 397.313 2.783 20 0 GFADRO C[NH+](C)C[C@@H](NC(=O)NCC1(CC(N)=O)CC1)c1ccc(Cl)c(Cl)c1 ZINC000637231811 565146056 /nfs/dbraw/zinc/14/60/56/565146056.db2.gz GFPNPAOFMIXLSA-CQSZACIVSA-N 1 0 387.311 2.551 20 0 GFADRO CC[C@H](Cc1ccc(Br)cc1)[NH2+][C@@H](CC)CNS(C)(=O)=O ZINC000658026342 565146951 /nfs/dbraw/zinc/14/69/51/565146951.db2.gz DMDXPLQGIGMUPC-CABCVRRESA-N 1 0 377.348 2.688 20 0 GFADRO COc1ccc(Br)cc1C[C@@H](CO)C[NH2+][C@H]1CCCn2nccc21 ZINC000658032094 565147208 /nfs/dbraw/zinc/14/72/08/565147208.db2.gz MMCVGNUKKIEHPZ-CJNGLKHVSA-N 1 0 394.313 2.930 20 0 GFADRO CCn1cc(CNC(=O)N[C@@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)nn1 ZINC000637273189 565149047 /nfs/dbraw/zinc/14/90/47/565149047.db2.gz ZGFDKHJDMSHPGA-HNNXBMFYSA-N 1 0 385.299 2.707 20 0 GFADRO COc1ccc([C@@H](C)[NH2+]CCNC(=O)c2ccc(Br)cn2)cc1O ZINC000658095475 565150109 /nfs/dbraw/zinc/15/01/09/565150109.db2.gz HQTDCXSBIVBZAS-LLVKDONJSA-N 1 0 394.269 2.639 20 0 GFADRO COc1ccc([C@H](C)[NH2+]CCNC(=O)c2ccc(Br)cn2)cc1O ZINC000658095476 565150614 /nfs/dbraw/zinc/15/06/14/565150614.db2.gz HQTDCXSBIVBZAS-NSHDSACASA-N 1 0 394.269 2.639 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)C(=O)Nc1c(F)cccc1Br ZINC000658126117 565152109 /nfs/dbraw/zinc/15/21/09/565152109.db2.gz KBBFSDNBSWBUAU-SNVBAGLBSA-N 1 0 386.265 2.516 20 0 GFADRO CC[C@H]([NH2+]C[C@]1(OCCO)CCOC1)c1cc(F)cc(Br)c1 ZINC000658150408 565152810 /nfs/dbraw/zinc/15/28/10/565152810.db2.gz ZZKPELQTZJESGP-JKSUJKDBSA-N 1 0 376.266 2.797 20 0 GFADRO COC[C@H]([NH2+][C@H](C)Cn1cc(Br)ccc1=O)c1cccc(OC)c1 ZINC000658164402 565154664 /nfs/dbraw/zinc/15/46/64/565154664.db2.gz NRPRGQMKQWSSSY-DYVFJYSZSA-N 1 0 395.297 2.985 20 0 GFADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@@H]1CCC[C@@H]1Cc1cnn(C)c1 ZINC000658233362 565156158 /nfs/dbraw/zinc/15/61/58/565156158.db2.gz KMMUMSFIIGLGKZ-FRFSOERESA-N 1 0 393.329 2.734 20 0 GFADRO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)[C@@H]1CCN(c2cc(Cl)ccc2Cl)C1=O ZINC000615310261 565157069 /nfs/dbraw/zinc/15/70/69/565157069.db2.gz VRXYQPUTBTUYJL-ZLDLUXBVSA-N 1 0 384.307 2.897 20 0 GFADRO C[NH+](C)C[C@H](NC(=O)N1CC[C@](F)(CO)C1)c1ccc(Cl)c(Cl)c1 ZINC000637471726 565158517 /nfs/dbraw/zinc/15/85/17/565158517.db2.gz CDGGRANXNDQVRR-GOEBONIOSA-N 1 0 378.275 2.712 20 0 GFADRO COC[C@H]1CN(C(=O)N[C@@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)CCO1 ZINC000637473132 565158737 /nfs/dbraw/zinc/15/87/37/565158737.db2.gz IMDICTLMRRMTLD-CJNGLKHVSA-N 1 0 390.311 2.653 20 0 GFADRO C[NH+](C)C[C@H](NC(=O)N[C@H](CO)CC(F)F)c1ccc(Cl)c(Cl)c1 ZINC000637476146 565158882 /nfs/dbraw/zinc/15/88/82/565158882.db2.gz XXGKDGNCROOZFG-GWCFXTLKSA-N 1 0 384.254 2.911 20 0 GFADRO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@@H]1CCN1Cc1ccccc1 ZINC000658349018 565159940 /nfs/dbraw/zinc/15/99/40/565159940.db2.gz QTIJGDLCHZGANF-YJBOKZPZSA-N 1 0 390.325 2.863 20 0 GFADRO CSC1(CNS(=O)(=O)c2sccc2Br)CC[NH+](C)CC1 ZINC000589296252 565159984 /nfs/dbraw/zinc/15/99/84/565159984.db2.gz ZKSPKGDDKUNPFF-UHFFFAOYSA-N 1 0 399.401 2.616 20 0 GFADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@H]1CCN1Cc1ccccc1 ZINC000658349015 565160368 /nfs/dbraw/zinc/16/03/68/565160368.db2.gz QTIJGDLCHZGANF-CRAIPNDOSA-N 1 0 390.325 2.863 20 0 GFADRO C[NH+](C)C1CCC2(CC1)CCN(C(=O)c1ccc(S(C)(=O)=O)s1)CC2 ZINC000615441103 565160842 /nfs/dbraw/zinc/16/08/42/565160842.db2.gz CJOGZCFWTAHZQV-UHFFFAOYSA-N 1 0 384.567 2.878 20 0 GFADRO C[NH+](C)C1CCC2(CC1)CCN(C(=O)c1cc(S(C)(=O)=O)cs1)CC2 ZINC000615443336 565161254 /nfs/dbraw/zinc/16/12/54/565161254.db2.gz DOXYYIOOFOBMKN-UHFFFAOYSA-N 1 0 384.567 2.878 20 0 GFADRO CCCOc1ccc(Br)cc1S(=O)(=O)N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000658375571 565163417 /nfs/dbraw/zinc/16/34/17/565163417.db2.gz JGHMVKDUEAIEFE-NWDGAFQWSA-N 1 0 391.331 2.596 20 0 GFADRO C[C@H]1CCCC[C@@]1(C[NH3+])NS(=O)(=O)Cc1cc(F)ccc1Br ZINC000658378471 565164580 /nfs/dbraw/zinc/16/45/80/565164580.db2.gz YYLRVQUGHLKLPA-NHYWBVRUSA-N 1 0 393.322 2.915 20 0 GFADRO CCCOc1ccc(Br)cc1S(=O)(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000658378579 565164619 /nfs/dbraw/zinc/16/46/19/565164619.db2.gz UOZHINJLXWKBPV-DGCLKSJQSA-N 1 0 391.331 2.514 20 0 GFADRO O=S(=O)(NCCC1CC[NH2+]CC1)c1cc(Cl)cc(Br)c1 ZINC000658383935 565165853 /nfs/dbraw/zinc/16/58/53/565165853.db2.gz QMDTWLLPIGDNRT-UHFFFAOYSA-N 1 0 381.723 2.771 20 0 GFADRO [NH3+][C@@H]1Cc2ccccc2N(S(=O)(=O)Cc2cc(F)ccc2Br)C1 ZINC000658382280 565166153 /nfs/dbraw/zinc/16/61/53/565166153.db2.gz YLEFFMHGXSDTFG-CQSZACIVSA-N 1 0 399.285 2.808 20 0 GFADRO CCCOc1c(Br)cc(C(=O)N2CC[N@@H+]3CC[C@H]2C3)cc1OC ZINC000615559766 565166897 /nfs/dbraw/zinc/16/68/97/565166897.db2.gz UGCOQGJXAXXBRW-ZDUSSCGKSA-N 1 0 383.286 2.777 20 0 GFADRO C[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)[C@@H]1CCC[NH3+] ZINC000658398805 565167110 /nfs/dbraw/zinc/16/71/10/565167110.db2.gz XOZXRWBZJPRJKM-IUODEOHRSA-N 1 0 375.332 2.977 20 0 GFADRO Cc1c2cc(C(=O)N[C@@H]3CCC[N@H+](CCCO)C3)[nH]c2ccc1Br ZINC000615660789 565169016 /nfs/dbraw/zinc/16/90/16/565169016.db2.gz ZCCJHODDTRGFHK-CYBMUJFWSA-N 1 0 394.313 2.815 20 0 GFADRO C[C@H](CCNC(=O)C(=O)Nc1ccccc1SCC(F)(F)F)[NH+](C)C ZINC000658419840 565169493 /nfs/dbraw/zinc/16/94/93/565169493.db2.gz BQFLYKMPOZHWTL-LLVKDONJSA-N 1 0 377.432 2.736 20 0 GFADRO CCN(C(=O)C(=O)Nc1ccc(C)cc1Br)[C@@H]1CC[N@H+](CC)C1 ZINC000658464695 565171159 /nfs/dbraw/zinc/17/11/59/565171159.db2.gz SJOPUAZOSQQZKT-CYBMUJFWSA-N 1 0 382.302 2.639 20 0 GFADRO O[C@]1(C(F)(F)F)CC[C@@H]([NH2+]Cc2ncc(I)s2)C1 ZINC000589938324 565173491 /nfs/dbraw/zinc/17/34/91/565173491.db2.gz MRAIPPGEENJQTD-HZGVNTEJSA-N 1 0 392.184 2.683 20 0 GFADRO O=C(NCc1cccc(Cl)c1Cl)c1nnn([C@@H]2CC[NH2+]C2)c1C(F)F ZINC000637908116 565176897 /nfs/dbraw/zinc/17/68/97/565176897.db2.gz ZVJRVTDRRDQNHO-SECBINFHSA-N 1 0 390.221 2.987 20 0 GFADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1C[C@H]1c1ccc(Br)cc1 ZINC000590115923 565179057 /nfs/dbraw/zinc/17/90/57/565179057.db2.gz HHRBMIUMSQBSGG-IKGGRYGDSA-N 1 0 381.314 2.780 20 0 GFADRO COc1cccc(C[C@@H]([NH3+])C(=O)NCc2ccc(OC)c(Br)c2)c1 ZINC000637972741 565179134 /nfs/dbraw/zinc/17/91/34/565179134.db2.gz QSPAOSJUBQGGBD-MRXNPFEDSA-N 1 0 393.281 2.653 20 0 GFADRO CCCCNC(=O)[C@H]1CCC[N@H+](Cc2cnn3cc(Br)cnc23)C1 ZINC000637991336 565179592 /nfs/dbraw/zinc/17/95/92/565179592.db2.gz LOKSWDQWWMIBPX-ZDUSSCGKSA-N 1 0 394.317 2.620 20 0 GFADRO CC(C)[C@H]([NH3+])CNC(=O)N1CCc2[nH]c3ccc(Br)cc3c2C1 ZINC000638061131 565183491 /nfs/dbraw/zinc/18/34/91/565183491.db2.gz INOKOXKFDIGPIY-CQSZACIVSA-N 1 0 379.302 2.981 20 0 GFADRO COc1nsc(CN2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)c1Br ZINC000638177209 565187886 /nfs/dbraw/zinc/18/78/86/565187886.db2.gz BIPDAUWHSQZOMV-GRYCIOLGSA-N 1 0 390.347 2.598 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)[C@@H]3[C@@H]4Cc5c(cccc5Br)[C@@H]43)C[C@@H]21 ZINC000638166795 565187681 /nfs/dbraw/zinc/18/76/81/565187681.db2.gz ZJQUNOOEPZBJJT-CEEMQSKCSA-N 1 0 375.310 2.921 20 0 GFADRO Cc1csc(C(=O)N2CC[C@H]([NH+](C)C)[C@@H]2C)c1I ZINC000590403685 565188013 /nfs/dbraw/zinc/18/80/13/565188013.db2.gz MLPWWUMUGFOIKA-UWVGGRQHSA-N 1 0 378.279 2.826 20 0 GFADRO O=C(c1cc(Br)cc2nc[nH]c21)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000638238891 565188854 /nfs/dbraw/zinc/18/88/54/565188854.db2.gz JMXAUHPMVQETMH-LBPRGKRZSA-N 1 0 377.286 2.787 20 0 GFADRO C[N@H+](CC(=O)N[C@](C)(CO)c1cc(Cl)cc(Cl)c1)[C@H]1CCSC1 ZINC000616081098 565189421 /nfs/dbraw/zinc/18/94/21/565189421.db2.gz SCSPKJSTKAJTNA-GOEBONIOSA-N 1 0 377.337 2.754 20 0 GFADRO Cc1ccc(C[NH+]2CCSCC2)cc1NCc1ccc(S(N)(=O)=O)s1 ZINC000638242924 565190345 /nfs/dbraw/zinc/19/03/45/565190345.db2.gz VONVUYVKZRFIFG-UHFFFAOYSA-N 1 0 397.591 2.865 20 0 GFADRO COc1ccc(Br)c(CNC(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000616094004 565190726 /nfs/dbraw/zinc/19/07/26/565190726.db2.gz SGZQJFAFWQLJKE-LBPRGKRZSA-N 1 0 382.302 2.741 20 0 GFADRO COc1ccc(Br)c(CNC(=O)NC[C@H](C)C[NH+]2CCCC2)c1 ZINC000616116581 565191586 /nfs/dbraw/zinc/19/15/86/565191586.db2.gz XYIZRHFFVAUDDA-ZDUSSCGKSA-N 1 0 384.318 2.989 20 0 GFADRO Cc1nc(-c2cc3c(s2)CCN(C(=O)[C@]2(C[NH3+])CCCOC2)C3)cs1 ZINC000638311937 565191498 /nfs/dbraw/zinc/19/14/98/565191498.db2.gz PBOAZQVRWUYXRF-SFHVURJKSA-N 1 0 377.535 2.820 20 0 GFADRO [NH3+]C[C@]1(C(=O)N[C@H]2C[C@H](c3ccc(F)c(Br)c3)C2)CCCOC1 ZINC000638326891 565192704 /nfs/dbraw/zinc/19/27/04/565192704.db2.gz VIGGFGCVHWKEIY-PBFPGSCMSA-N 1 0 385.277 2.706 20 0 GFADRO O=C(N[C@H]1CC[N@H+](CC2CC2)C1)c1ccc(I)cc1F ZINC000590632620 565195475 /nfs/dbraw/zinc/19/54/75/565195475.db2.gz RFRLHAVNPPGZMW-LBPRGKRZSA-N 1 0 388.224 2.644 20 0 GFADRO COc1cc(NC(=O)[C@@]2(C[NH3+])CCCOC2)c(Cl)cc1Br ZINC000638423623 565195717 /nfs/dbraw/zinc/19/57/17/565195717.db2.gz BIKVUSZKDQNWJH-CQSZACIVSA-N 1 0 377.666 2.805 20 0 GFADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)c3ccc(C)c(Br)c3C)C2)CC1 ZINC000616324018 565197049 /nfs/dbraw/zinc/19/70/49/565197049.db2.gz FPUUCDDRZZFABI-MRXNPFEDSA-N 1 0 394.357 2.918 20 0 GFADRO COCC[C@H](Cc1cccc(Br)c1)C(=O)N1CC[C@@H](C)[C@@H]([NH3+])C1 ZINC000658971572 565197231 /nfs/dbraw/zinc/19/72/31/565197231.db2.gz WJKALMRDHPNRIV-UNEWFSDZSA-N 1 0 383.330 2.840 20 0 GFADRO O=C(N[C@H]1CC[NH2+]C12CCC2)C1CCN(C(=O)c2ccc(Cl)s2)CC1 ZINC000638505815 565199067 /nfs/dbraw/zinc/19/90/67/565199067.db2.gz XOAOKEBBOWODGT-AWEZNQCLSA-N 1 0 381.929 2.655 20 0 GFADRO C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)Nc1ccc(F)c(Br)c1F ZINC000659047746 565199670 /nfs/dbraw/zinc/19/96/70/565199670.db2.gz LFMXGFLZVOQPSF-XCBNKYQSSA-N 1 0 378.217 2.962 20 0 GFADRO O=C(NCC12CC(C1)C[NH2+]2)Nc1ccnn1Cc1cccc(Br)c1 ZINC000659010057 565199738 /nfs/dbraw/zinc/19/97/38/565199738.db2.gz PTSPQJQLTBNVLU-UHFFFAOYSA-N 1 0 390.285 2.567 20 0 GFADRO COc1cc(Br)ccc1[C@@H]1CCCN1C(=O)C[NH2+]C[C@H]1CCCO1 ZINC000638532218 565200235 /nfs/dbraw/zinc/20/02/35/565200235.db2.gz KBJRQROQIMKRPK-ZBFHGGJFSA-N 1 0 397.313 2.890 20 0 GFADRO Cc1cc(Br)c(Cl)cc1NC(=O)C(=O)N1C[C@@H](C)[NH2+]C[C@H]1C ZINC000659082411 565200385 /nfs/dbraw/zinc/20/03/85/565200385.db2.gz OCCLYIFOZMWLJZ-NXEZZACHSA-N 1 0 388.693 2.558 20 0 GFADRO COC(=O)[C@@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000590751311 565201191 /nfs/dbraw/zinc/20/11/91/565201191.db2.gz OSUMPUOTEZPMDX-PWSUYJOCSA-N 1 0 376.787 2.811 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)[C@H]2COc3ccc(Cl)cc3C2)CC[C@H]1C(F)(F)F ZINC000638554528 565201311 /nfs/dbraw/zinc/20/13/11/565201311.db2.gz XQFCRCPCHXJZST-YRGRVCCFSA-N 1 0 376.806 2.877 20 0 GFADRO O=C(Nc1cccc(Br)c1)C(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000659092728 565201709 /nfs/dbraw/zinc/20/17/09/565201709.db2.gz YSEUUGCNPJHXHJ-CQSZACIVSA-N 1 0 394.313 2.626 20 0 GFADRO [NH3+]C1(CNC(=O)C(=O)Nc2cc(F)ccc2SCC(F)F)CCCC1 ZINC000659098447 565201765 /nfs/dbraw/zinc/20/17/65/565201765.db2.gz QYCBGEZGGCLGCX-UHFFFAOYSA-N 1 0 375.416 2.509 20 0 GFADRO COc1ncc(Br)cc1CNC(=O)[C@H](C)[C@@H]([NH3+])c1ccccc1 ZINC000638561360 565203078 /nfs/dbraw/zinc/20/30/78/565203078.db2.gz RVDXGGKXAGWUIB-IAQYHMDHSA-N 1 0 378.270 2.805 20 0 GFADRO [NH3+]C[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC000638594987 565204427 /nfs/dbraw/zinc/20/44/27/565204427.db2.gz CXRZALKHUKOPMZ-MAZHCROVSA-N 1 0 392.297 2.788 20 0 GFADRO CO[C@@H](C[NH2+]CCC(=O)Nc1cc(Br)ccc1C)[C@@H]1CCOC1 ZINC000638597792 565204700 /nfs/dbraw/zinc/20/47/00/565204700.db2.gz KBGUGZFVDIGEPM-CJNGLKHVSA-N 1 0 385.302 2.727 20 0 GFADRO [NH3+]CC1(NC(=O)c2ccc(Br)c(C(F)(F)F)c2)CCOCC1 ZINC000638631945 565205373 /nfs/dbraw/zinc/20/53/73/565205373.db2.gz QUQVTYATHUXGSE-UHFFFAOYSA-N 1 0 381.192 2.706 20 0 GFADRO [NH3+]CC1(NC(=O)c2ccc(Sc3ccccc3Cl)nn2)CCOCC1 ZINC000638633503 565205994 /nfs/dbraw/zinc/20/59/94/565205994.db2.gz ATRJBODRYNDIEF-UHFFFAOYSA-N 1 0 378.885 2.519 20 0 GFADRO O=C(NCCc1ccc(Cl)cc1Cl)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000590844868 565207437 /nfs/dbraw/zinc/20/74/37/565207437.db2.gz DJRPEQLCWNSRAR-IAGOWNOFSA-N 1 0 386.323 2.777 20 0 GFADRO C[C@@H](C[NH2+]Cc1ccc(S(N)(=O)=O)cc1)Oc1cccc(Br)c1 ZINC000638705437 565208447 /nfs/dbraw/zinc/20/84/47/565208447.db2.gz AMAFHNITXVOBMB-LBPRGKRZSA-N 1 0 399.310 2.654 20 0 GFADRO Cc1cc(NC(=O)[C@@H]([NH3+])COC(C)C)n(-c2cccc(Br)c2)n1 ZINC000659262390 565208963 /nfs/dbraw/zinc/20/89/63/565208963.db2.gz LUNOAOLFYASXKN-AWEZNQCLSA-N 1 0 381.274 2.634 20 0 GFADRO CC(C)([NH3+])c1cc(C(=O)N2CCc3cc(F)cc(Br)c3C2)on1 ZINC000638773880 565210900 /nfs/dbraw/zinc/21/09/00/565210900.db2.gz RZVSNQDGPOILSK-UHFFFAOYSA-N 1 0 382.233 2.969 20 0 GFADRO CN1CC[C@@H]([NH2+]Cc2ccc(S(N)(=O)=O)cc2)[C@H]1c1ccc(Cl)cc1 ZINC000638803015 565211300 /nfs/dbraw/zinc/21/13/00/565211300.db2.gz YTTSDXFYJBNERO-QZTJIDSGSA-N 1 0 379.913 2.522 20 0 GFADRO Cc1cccc(CC(=O)N2CCC(CO[C@H]3CC[NH2+]C3)CC2)c1Br ZINC000638785573 565211472 /nfs/dbraw/zinc/21/14/72/565211472.db2.gz DCPNPNGYNRURSH-KRWDZBQOSA-N 1 0 395.341 2.917 20 0 GFADRO [NH3+]Cc1ccc2c(c1)N(C(=O)[C@@H]1COc3ccc(Br)cc31)CCO2 ZINC000638805410 565211486 /nfs/dbraw/zinc/21/14/86/565211486.db2.gz HRMYSSLMVNQWHB-CQSZACIVSA-N 1 0 389.249 2.809 20 0 GFADRO COc1ccc(C(=O)N2CCC(CO[C@H]3CC[NH2+]C3)CC2)c(Br)c1 ZINC000638781575 565212208 /nfs/dbraw/zinc/21/22/08/565212208.db2.gz GCBKCRVZNMYCIH-HNNXBMFYSA-N 1 0 397.313 2.688 20 0 GFADRO COc1ccc(CCC(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)c(Br)c1 ZINC000659327082 565212733 /nfs/dbraw/zinc/21/27/33/565212733.db2.gz HYAATKFUWIECGN-KSSFIOAISA-N 1 0 381.314 2.978 20 0 GFADRO C[C@H]1C[C@@H](C(=O)N(C)C[C@@H](O)COc2cc(Cl)cc(Cl)c2)CC[NH2+]1 ZINC000638827358 565213173 /nfs/dbraw/zinc/21/31/73/565213173.db2.gz HTUNCEKMIRWLNB-SLEUVZQESA-N 1 0 375.296 2.580 20 0 GFADRO O=C(C[C@H]1CSCC[NH2+]1)Nc1cc(Cl)ccc1C(=O)[C@H]1CCCOC1 ZINC000659386171 565215377 /nfs/dbraw/zinc/21/53/77/565215377.db2.gz MYZOSZQZCSZSKG-JSGCOSHPSA-N 1 0 382.913 2.983 20 0 GFADRO [NH3+][C@@H]1CN(C(=O)Cc2ccc(Br)c(Br)c2)CC[C@H]1F ZINC000659385648 565215673 /nfs/dbraw/zinc/21/56/73/565215673.db2.gz PYMMDTALMBLWMN-VXGBXAGGSA-N 1 0 394.082 2.652 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+][C@H]2CCN(c3ccc(F)c(Cl)c3)C2)s1 ZINC000638909564 565216510 /nfs/dbraw/zinc/21/65/10/565216510.db2.gz VYZWQJCKLIEWFX-JTQLQIEISA-N 1 0 389.905 2.557 20 0 GFADRO O=C(c1cccnc1Oc1ccc(F)cc1Br)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638928933 565217910 /nfs/dbraw/zinc/21/79/10/565217910.db2.gz LVGQDVGOVIBZKD-RYUDHWBXSA-N 1 0 392.228 2.962 20 0 GFADRO C[C@H](NC(=O)N1CCOC[C@@H]1c1ccc(Br)cc1)[C@H]1CCC[NH2+]C1 ZINC000659512819 565218793 /nfs/dbraw/zinc/21/87/93/565218793.db2.gz WLVXUQSPKIEDKI-JLJPHGGASA-N 1 0 396.329 2.920 20 0 GFADRO CC(C)C[C@H](C[NH3+])NC(=O)N1CCOC[C@@H]1c1ccc(Br)cc1 ZINC000659523204 565219469 /nfs/dbraw/zinc/21/94/69/565219469.db2.gz QMTNRZULJFUPQY-HZPDHXFCSA-N 1 0 384.318 2.905 20 0 GFADRO CC(C)(O)C[NH+]1CCC(N[C@@H](CCO)c2ccccc2Br)CC1 ZINC000638977452 565219793 /nfs/dbraw/zinc/21/97/93/565219793.db2.gz SINYSTUNWDFELV-KRWDZBQOSA-N 1 0 385.346 2.698 20 0 GFADRO O=C(NCCC[C@@H]1CCC[NH2+]1)N1CCN(c2ccc(Br)cc2)CC1 ZINC000659552029 565220257 /nfs/dbraw/zinc/22/02/57/565220257.db2.gz NOALYLDZPGBMSI-INIZCTEOSA-N 1 0 395.345 2.813 20 0 GFADRO [NH3+][C@@H]1CCC[C@H](NC(=O)N2CCOC[C@@H]2c2ccc(Br)cc2)C1 ZINC000659537491 565220460 /nfs/dbraw/zinc/22/04/60/565220460.db2.gz LOTSVSBHARWEIF-OWCLPIDISA-N 1 0 382.302 2.802 20 0 GFADRO Cc1cc(Br)c(CNC(=O)N2CCC(OCCC[NH3+])CC2)s1 ZINC000659602785 565221316 /nfs/dbraw/zinc/22/13/16/565221316.db2.gz JVRMHQQWIZUVHN-UHFFFAOYSA-N 1 0 390.347 2.858 20 0 GFADRO CCOC(=O)c1c2c(sc1NC(=O)N[C@@H]1CCC[NH2+]CC1)CSCC2 ZINC000591292325 565222020 /nfs/dbraw/zinc/22/20/20/565222020.db2.gz KIJUWWOSQKMJGI-LLVKDONJSA-N 1 0 383.539 2.978 20 0 GFADRO CCOC(=O)c1cc(Br)ccc1NC(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000591292932 565222629 /nfs/dbraw/zinc/22/26/29/565222629.db2.gz SXBNRYKVLOKWIY-XHDPSFHLSA-N 1 0 396.285 2.842 20 0 GFADRO COCCN(CC[NH+](C)C)C(=O)COc1ccc(Br)cc1Cl ZINC000591301069 565222862 /nfs/dbraw/zinc/22/28/62/565222862.db2.gz KDTFGDLMQZQMJK-UHFFFAOYSA-N 1 0 393.709 2.518 20 0 GFADRO CCOC(=O)c1cc(Br)ccc1NC(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000591292929 565222999 /nfs/dbraw/zinc/22/29/99/565222999.db2.gz SXBNRYKVLOKWIY-ABAIWWIYSA-N 1 0 396.285 2.842 20 0 GFADRO COCCN(CC[NH+](C)C)C(=O)CCSc1ccc(Br)cc1 ZINC000591302165 565223007 /nfs/dbraw/zinc/22/30/07/565223007.db2.gz OCTYCYOXIWIOMM-UHFFFAOYSA-N 1 0 389.359 2.968 20 0 GFADRO COC(=O)c1cc(NC(=O)N[C@@H]2CCC[NH2+]CC2)c(C)cc1Br ZINC000591306843 565224074 /nfs/dbraw/zinc/22/40/74/565224074.db2.gz JXLDEESKMQCXDE-LLVKDONJSA-N 1 0 384.274 2.808 20 0 GFADRO CO[C@@H](C[N@H+](CCO)Cc1ccc(Br)s1)C1CCOCC1 ZINC000639101565 565224704 /nfs/dbraw/zinc/22/47/04/565224704.db2.gz BTZNRRVZNXYNMW-AWEZNQCLSA-N 1 0 378.332 2.747 20 0 GFADRO CO[C@H](C[NH2+]Cc1cnn2cc(Br)cnc12)Cc1ccccc1 ZINC000639218467 565233985 /nfs/dbraw/zinc/23/39/85/565233985.db2.gz DYNJIPQDEOXQIY-INIZCTEOSA-N 1 0 375.270 2.839 20 0 GFADRO COc1nsc(C[NH2+][C@@H]2CCO[C@H](c3ccnn3C)C2)c1Br ZINC000639243383 565234694 /nfs/dbraw/zinc/23/46/94/565234694.db2.gz GAZGOGBTEUSSIU-KOLCDFICSA-N 1 0 387.303 2.658 20 0 GFADRO Cc1ccc(C[C@H](CO)C[NH2+][C@@H](C)C[C@@H]2CCCC(=O)N2)cc1Br ZINC000639241421 565234907 /nfs/dbraw/zinc/23/49/07/565234907.db2.gz AIKGMMUMUZVSOD-XIRDDKMYSA-N 1 0 397.357 2.945 20 0 GFADRO COc1nsc(C[NH2+]C[C@H](CO)c2ccc(F)cc2)c1Br ZINC000639264335 565236503 /nfs/dbraw/zinc/23/65/03/565236503.db2.gz CHSXGDCZRPAAIG-SNVBAGLBSA-N 1 0 375.263 2.919 20 0 GFADRO C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)C1 ZINC000617414343 565237031 /nfs/dbraw/zinc/23/70/31/565237031.db2.gz GOOKPEISHFFZJO-CJNGLKHVSA-N 1 0 384.307 2.808 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+]C[C@@H]2CCN(c3ccccc3Cl)C2)cc1 ZINC000639304614 565239391 /nfs/dbraw/zinc/23/93/91/565239391.db2.gz YGZCZJLVOWVBFX-HNNXBMFYSA-N 1 0 379.913 2.604 20 0 GFADRO CCC[N@@H+]1CC[C@H](NS(=O)(=O)c2cccc(Br)c2Cl)C1 ZINC000660028245 565240331 /nfs/dbraw/zinc/24/03/31/565240331.db2.gz UFWVOIQVLQFHCL-JTQLQIEISA-N 1 0 381.723 2.865 20 0 GFADRO Cc1cnc(N2CCN(c3cc[nH+]cc3)CC2)c(I)c1 ZINC000591817554 565241213 /nfs/dbraw/zinc/24/12/13/565241213.db2.gz ZSHRVPPUUHIJCQ-UHFFFAOYSA-N 1 0 380.233 2.716 20 0 GFADRO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)COc1cc(Cl)ccc1Cl ZINC000617504178 565242347 /nfs/dbraw/zinc/24/23/47/565242347.db2.gz JEYHQJKOJQGSOM-ZDUSSCGKSA-N 1 0 376.328 2.760 20 0 GFADRO C[C@@H](CCCOc1ccccc1C(N)=O)[NH2+]Cc1c(Br)cnn1C ZINC000639382033 565243636 /nfs/dbraw/zinc/24/36/36/565243636.db2.gz VHYSUVWHKITLMC-LBPRGKRZSA-N 1 0 395.301 2.619 20 0 GFADRO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)c1c(F)cc(Br)cc1F ZINC000617506425 565243933 /nfs/dbraw/zinc/24/39/33/565243933.db2.gz MWVVCNCLZKFNHX-NSHDSACASA-N 1 0 392.288 2.729 20 0 GFADRO CCN(C(=O)c1ncc(Br)cc1Br)[C@@H]1CC[N@H+](C)C1 ZINC000617552175 565245603 /nfs/dbraw/zinc/24/56/03/565245603.db2.gz ILIVEQKCRMYTOL-SNVBAGLBSA-N 1 0 391.107 2.773 20 0 GFADRO CC[NH+](CC)CCS(=O)(=O)N1CC[C@H]1c1ccc(Br)cc1 ZINC000660072126 565248135 /nfs/dbraw/zinc/24/81/35/565248135.db2.gz TWSLMVZQYSIYRD-HNNXBMFYSA-N 1 0 375.332 2.868 20 0 GFADRO CCCc1ccc(Cl)c(S(=O)(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)c1 ZINC000660090549 565250751 /nfs/dbraw/zinc/25/07/51/565250751.db2.gz JVDANBUVJCRESS-MRXNPFEDSA-N 1 0 386.945 2.512 20 0 GFADRO CCC[N@H+](C)CC(C)(C)NS(=O)(=O)c1cc2c(cc1Cl)CCC(=O)N2 ZINC000660107164 565253404 /nfs/dbraw/zinc/25/34/04/565253404.db2.gz MNBCGYDCCAJDHS-UHFFFAOYSA-N 1 0 387.933 2.623 20 0 GFADRO C[C@@H]1C[C@@H](N2CCOCC2)C[N@@H+]1C[C@H](O)COc1cc(Cl)cc(Cl)c1 ZINC000639642666 565254389 /nfs/dbraw/zinc/25/43/89/565254389.db2.gz UKWVEJJSHDKNDE-XYPHTWIQSA-N 1 0 389.323 2.528 20 0 GFADRO COCC[N@@H+]1CCC[C@@H](NC(=O)CCOc2ccc(Cl)c(Cl)c2)C1 ZINC000592094375 565256065 /nfs/dbraw/zinc/25/60/65/565256065.db2.gz HCRQFRZUZBXBRA-CYBMUJFWSA-N 1 0 375.296 2.989 20 0 GFADRO C[C@H](CCNC(=O)[C@H](c1cc(Cl)cc(Cl)c1)N1CCOCC1)[NH+](C)C ZINC000617755439 565257039 /nfs/dbraw/zinc/25/70/39/565257039.db2.gz OGQBMTGRXAWUKJ-DYVFJYSZSA-N 1 0 388.339 2.823 20 0 GFADRO CN(CCC[NH+](C)C)CCNC(=O)Cc1ccc(Br)c(Cl)c1 ZINC000617765075 565258295 /nfs/dbraw/zinc/25/82/95/565258295.db2.gz SJGRGVHLMNAVIZ-UHFFFAOYSA-N 1 0 390.753 2.645 20 0 GFADRO C[NH+](C)C[C@@]1(O)CCCN(Cc2ncc(-c3ccc(Br)cc3)o2)C1 ZINC000639762772 565258496 /nfs/dbraw/zinc/25/84/96/565258496.db2.gz ODVLYVWCPZJBDY-SFHVURJKSA-N 1 0 394.313 2.993 20 0 GFADRO O=c1cc(C[N@H+]2CC[C@@H](Oc3cncc(Br)c3)C2)nc(C2CC2)[nH]1 ZINC000639775851 565259827 /nfs/dbraw/zinc/25/98/27/565259827.db2.gz FLIPJUZMPHOJIY-CQSZACIVSA-N 1 0 391.269 2.870 20 0 GFADRO O=S(=O)(NCC1CC[NH+](CC2CC2)CC1)c1ccc(Br)cc1 ZINC000660150419 565260430 /nfs/dbraw/zinc/26/04/30/565260430.db2.gz QGIWGEHYXCSKFI-UHFFFAOYSA-N 1 0 387.343 2.849 20 0 GFADRO C[NH+](C)C[C@H]1COC2(CCCC2)CN1S(=O)(=O)c1ccc(Cl)c(F)c1 ZINC000660150574 565260528 /nfs/dbraw/zinc/26/05/28/565260528.db2.gz JSOQHFMVYUNNOC-ZDUSSCGKSA-N 1 0 390.908 2.743 20 0 GFADRO C[NH+](C)CCC[C@@H]1CN(S(=O)(=O)Cc2c(Cl)cccc2Cl)CCO1 ZINC000660155954 565261110 /nfs/dbraw/zinc/26/11/10/565261110.db2.gz FLPADZBQNGBLMV-CYBMUJFWSA-N 1 0 395.352 2.866 20 0 GFADRO C[NH+](C)CCC[C@H]1CN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)CCO1 ZINC000660157050 565262087 /nfs/dbraw/zinc/26/20/87/565262087.db2.gz NMTJRNNKIHZFSE-HNNXBMFYSA-N 1 0 395.352 2.866 20 0 GFADRO CO[C@H](C[NH2+][C@H](C)c1cc2c(cc1Br)OCCO2)[C@@H]1CCOC1 ZINC000660186440 565265174 /nfs/dbraw/zinc/26/51/74/565265174.db2.gz ADFHGBOHKFSJHV-PSTGCABASA-N 1 0 386.286 2.922 20 0 GFADRO CC[C@@H]1CN(C(=O)c2scc(C)c2I)CC[C@@H]1[NH3+] ZINC000592331696 565270404 /nfs/dbraw/zinc/27/04/04/565270404.db2.gz NNBCPAJTCXMGPC-ZJUUUORDSA-N 1 0 378.279 2.861 20 0 GFADRO CC[N@@H+]1CCN(C[C@@H](O)COc2ccc(Cl)cc2Br)C[C@@H]1C ZINC000592386926 565274156 /nfs/dbraw/zinc/27/41/56/565274156.db2.gz VANMQWUDOYPURM-GXTWGEPZSA-N 1 0 391.737 2.868 20 0 GFADRO OCCC1(CCO)CC[NH+](C[C@@H](O)COc2cc(Cl)cc(Cl)c2)CC1 ZINC000640011382 565274743 /nfs/dbraw/zinc/27/47/43/565274743.db2.gz OWLDXVKUTMRYMX-MRXNPFEDSA-N 1 0 392.323 2.580 20 0 GFADRO C[NH+](C)[C@H]1CCCN(CC(=O)c2c[nH]c3ncc(Br)cc23)CC1 ZINC000660416201 565275092 /nfs/dbraw/zinc/27/50/92/565275092.db2.gz OOXZIXSHQZIVLN-ZDUSSCGKSA-N 1 0 379.302 2.924 20 0 GFADRO CCOC(=O)COc1c(Br)cc(C)cc1CN1CCC[C@H](C[NH3+])C1 ZINC000592426248 565275321 /nfs/dbraw/zinc/27/53/21/565275321.db2.gz HCKYVMOQKFTPCT-CQSZACIVSA-N 1 0 399.329 2.870 20 0 GFADRO COCC[C@@H](Cc1cccc(Br)c1)C(=O)N(C)CC1C[NH+](C)C1 ZINC000618193300 565279789 /nfs/dbraw/zinc/27/97/89/565279789.db2.gz RAKHTKFFZOKDFR-INIZCTEOSA-N 1 0 383.330 2.664 20 0 GFADRO [NH3+]C[C@@H]1CCCn2ncc(C(=O)N[C@H]3CCc4cc(Br)ccc43)c21 ZINC000592501829 565279852 /nfs/dbraw/zinc/27/98/52/565279852.db2.gz OBJMTMYGNWQAFC-LRDDRELGSA-N 1 0 389.297 2.899 20 0 GFADRO [NH3+]C[C@H]1CCCn2ncc(C(=O)N3CCc4c(Br)cccc4C3)c21 ZINC000592518512 565279857 /nfs/dbraw/zinc/27/98/57/565279857.db2.gz WRELKZSKYYEXPT-GFCCVEGCSA-N 1 0 389.297 2.680 20 0 GFADRO COC(=O)C[C@H]([NH2+]C[C@@H]1CNc2ccnn2C1)c1cccc(Br)c1 ZINC000592513125 565280065 /nfs/dbraw/zinc/28/00/65/565280065.db2.gz YDVUXNAOFMOTRP-DOMZBBRYSA-N 1 0 393.285 2.581 20 0 GFADRO CN(CCc1ccc(Br)cc1)C(=O)c1cnn2c1[C@@H](C[NH3+])CCC2 ZINC000592524549 565281026 /nfs/dbraw/zinc/28/10/26/565281026.db2.gz CRGWGRBLTSMABP-CQSZACIVSA-N 1 0 391.313 2.796 20 0 GFADRO Cc1nn(C)c(NC(=O)N2CCC([NH+]3CCCCC3)CC2)c1Br ZINC000640163194 565281971 /nfs/dbraw/zinc/28/19/71/565281971.db2.gz FAMBDBOWMWUTME-UHFFFAOYSA-N 1 0 384.322 2.973 20 0 GFADRO COc1ncc(Br)cc1C[NH2+][C@@H]1CCC[C@H]2CN(C(C)=O)C[C@@H]21 ZINC000660561506 565282951 /nfs/dbraw/zinc/28/29/51/565282951.db2.gz WSEFCXQRNHGQSH-VBNZEHGJSA-N 1 0 382.302 2.589 20 0 GFADRO C[C@H](NC(=O)C[NH2+][C@H]1CCCn2nccc21)c1ccc(Br)cc1 ZINC000640217786 565287528 /nfs/dbraw/zinc/28/75/28/565287528.db2.gz QEUWKGFKSUXFNE-WFASDCNBSA-N 1 0 377.286 2.948 20 0 GFADRO C[N@@H+]1CC[C@]2(C1)CCCN([C@@H](C(N)=O)c1ccc(Br)cc1F)C2 ZINC000660656938 565288395 /nfs/dbraw/zinc/28/83/95/565288395.db2.gz BWFQYCNZIIFMIZ-WBVHZDCISA-N 1 0 384.293 2.532 20 0 GFADRO C[C@H](c1nc2cc(Cl)ccc2[nH]1)[N@H+](C)C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000660710145 565290874 /nfs/dbraw/zinc/29/08/74/565290874.db2.gz PCYLCWDVPDPFND-CHWSQXEVSA-N 1 0 384.933 2.881 20 0 GFADRO CC[C@@H](Cc1ccc(Br)cc1)NC(=O)N[C@H]1CC[N@H+](CCOC)C1 ZINC000660706771 565291029 /nfs/dbraw/zinc/29/10/29/565291029.db2.gz WMEIPMGZJMFOQR-IRXDYDNUSA-N 1 0 398.345 2.790 20 0 GFADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)CSc1cc(Cl)ccc1Cl ZINC000592790416 565296263 /nfs/dbraw/zinc/29/62/63/565296263.db2.gz XAVXWJFNUMLOBL-LBPRGKRZSA-N 1 0 376.353 2.838 20 0 GFADRO O=C(NC[C@@H]1CC[N@@H+]1C1CCCC1)Nc1nn(CC(F)(F)F)cc1Cl ZINC000640302008 565297375 /nfs/dbraw/zinc/29/73/75/565297375.db2.gz HRMGISVBZMOJBF-NSHDSACASA-N 1 0 379.814 3.237 20 0 GFADRO OCCC1CC[NH+](C[C@@H](O)COc2ccc(Cl)cc2Br)CC1 ZINC000592809852 565298598 /nfs/dbraw/zinc/29/85/98/565298598.db2.gz DGRURFCFZKVZOB-CQSZACIVSA-N 1 0 392.721 2.937 20 0 GFADRO Cc1[nH]c(=O)c(Br)cc1C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000618669603 565311062 /nfs/dbraw/zinc/31/10/62/565311062.db2.gz JOFOBSFWSHISIX-GFCCVEGCSA-N 1 0 382.302 2.995 20 0 GFADRO COC[C@@H]([NH2+]C[C@@H](O)COc1c(Cl)cccc1Cl)C1CCOCC1 ZINC000661160299 565311233 /nfs/dbraw/zinc/31/12/33/565311233.db2.gz KGRSLUUPWFIWON-CZUORRHYSA-N 1 0 378.296 2.764 20 0 GFADRO CO[C@@H]1CCC[C@@H]([C@H](CO)[NH2+]Cc2cn3cc(Br)ccc3n2)C1 ZINC000661217311 565315116 /nfs/dbraw/zinc/31/51/16/565315116.db2.gz HYSXWWLGUYGIIL-WQVCFCJDSA-N 1 0 382.302 2.753 20 0 GFADRO CC[C@@H](Cc1ccc(Br)cc1)NC(=O)NCC[N@@H+]1CCCOCC1 ZINC000661237104 565315261 /nfs/dbraw/zinc/31/52/61/565315261.db2.gz FJZATOIOWHFWPN-KRWDZBQOSA-N 1 0 398.345 2.792 20 0 GFADRO CN(CC1C[NH+](C)C1)C(=O)NCc1c(F)c(F)c(Br)c(F)c1F ZINC000661339904 565319979 /nfs/dbraw/zinc/31/99/79/565319979.db2.gz JZLQXFUKEOXBFS-UHFFFAOYSA-N 1 0 398.198 2.709 20 0 GFADRO C[C@H](C(=O)Nc1cc(Cl)ccc1Cl)n1cc([C@H]([NH3+])[C@@H]2CCCO2)nn1 ZINC000640801145 565328429 /nfs/dbraw/zinc/32/84/29/565328429.db2.gz ARIWBNOEQKUQLG-NKZPBKNFSA-N 1 0 384.267 2.963 20 0 GFADRO C[C@H]1CCCN1C(=O)CC[NH+]1CCN(c2ccc(Br)cc2)CC1 ZINC000661575712 565328730 /nfs/dbraw/zinc/32/87/30/565328730.db2.gz ASJABFOZMZIIJT-HNNXBMFYSA-N 1 0 380.330 2.972 20 0 GFADRO O=C1[C@@H]([N@@H+]2CC[C@@H]3NC(=O)CC[C@@H]3C2)CCN1c1ccc(Cl)c(Cl)c1 ZINC000661596203 565330037 /nfs/dbraw/zinc/33/00/37/565330037.db2.gz AZLJOQQRPFMASG-RLCCDNCMSA-N 1 0 382.291 2.699 20 0 GFADRO C[N@@H+](Cc1ccnc(-c2ccc(Br)cc2)n1)C[C@@H]1COCCO1 ZINC000661614636 565332025 /nfs/dbraw/zinc/33/20/25/565332025.db2.gz ZLSFLNVGPUAXJX-MRXNPFEDSA-N 1 0 378.270 2.753 20 0 GFADRO C[C@@H]1C[N@H+](C)[C@H](C)CN1c1ncnc2cc(I)sc21 ZINC000593471097 565334639 /nfs/dbraw/zinc/33/46/39/565334639.db2.gz XZTRGAFYSFVKGP-RKDXNWHRSA-N 1 0 388.278 2.825 20 0 GFADRO CC[C@H](C)NC(=O)[C@H](C)n1cc([C@H]([NH3+])c2ccc(Br)cc2)nn1 ZINC000640900848 565335198 /nfs/dbraw/zinc/33/51/98/565335198.db2.gz CXERJIAJPXSXQZ-ZIBATOQPSA-N 1 0 380.290 2.564 20 0 GFADRO CC[C@@H]1C[N@H+](C)CCN1c1ncnc2cc(I)sc21 ZINC000593475469 565335302 /nfs/dbraw/zinc/33/53/02/565335302.db2.gz GDPDBDRXRLFACH-SECBINFHSA-N 1 0 388.278 2.826 20 0 GFADRO CCC[C@H](C)NC(=O)[C@H](C)n1cc([C@@H]([NH3+])c2ccc(Br)cc2)nn1 ZINC000640909344 565335988 /nfs/dbraw/zinc/33/59/88/565335988.db2.gz PUSNFFHMVLVCDE-MKBNYLNASA-N 1 0 394.317 2.955 20 0 GFADRO Cc1cc(NC(=O)[C@H](C)n2cc(C[C@H]3CC[NH2+]C3)nn2)ccc1Br ZINC000640907002 565336419 /nfs/dbraw/zinc/33/64/19/565336419.db2.gz MJCCYSIKABEJDW-QWHCGFSZSA-N 1 0 392.301 2.701 20 0 GFADRO COCC[NH2+]CCc1cn([C@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)nn1 ZINC000640924942 565337491 /nfs/dbraw/zinc/33/74/91/565337491.db2.gz LJVWHXXJRDYTKW-LLVKDONJSA-N 1 0 386.283 2.563 20 0 GFADRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N1CCc2[nH]c3ccc(Br)cc3c2C1 ZINC000640941572 565339070 /nfs/dbraw/zinc/33/90/70/565339070.db2.gz QACOKVOOYHODGN-DIFFPNOSSA-N 1 0 391.313 2.996 20 0 GFADRO Clc1cccc(Cl)c1-c1nnc(Cn2cc(C[C@@H]3CC[NH2+]C3)nn2)o1 ZINC000641021797 565342152 /nfs/dbraw/zinc/34/21/52/565342152.db2.gz FWIBFDVIXXEULS-JTQLQIEISA-N 1 0 379.251 2.835 20 0 GFADRO O[C@H](COc1ccc(Cl)cc1Br)C[N@@H+]1CC[C@@H]2COC[C@H]2C1 ZINC000662040358 565346516 /nfs/dbraw/zinc/34/65/16/565346516.db2.gz XLQUOJOXBGMLQF-BZPMIXESSA-N 1 0 390.705 2.811 20 0 GFADRO C[C@H](C(=O)Nc1ccc(Br)cc1)[N@@H+]1CC[C@H](CN2CCCC2=O)C1 ZINC000662053936 565347061 /nfs/dbraw/zinc/34/70/61/565347061.db2.gz BTYLSFDJXXBGRR-KGLIPLIRSA-N 1 0 394.313 2.720 20 0 GFADRO [NH3+]CCCCc1cn(Cc2ccnc(-c3ccc(Br)cc3)n2)nn1 ZINC000641112524 565347513 /nfs/dbraw/zinc/34/75/13/565347513.db2.gz NPBFWEBVWSVOLC-UHFFFAOYSA-N 1 0 387.285 2.827 20 0 GFADRO [NH3+]Cc1cnn(Cc2cn([C@H]3CCCc4ccc(Br)cc43)nn2)c1 ZINC000641122156 565348211 /nfs/dbraw/zinc/34/82/11/565348211.db2.gz ACBNYFNXNBEUFA-KRWDZBQOSA-N 1 0 387.285 2.670 20 0 GFADRO CC[C@](C)([NH3+])c1cn([C@H]2CCc3cc(Br)ccc3NC2=O)nn1 ZINC000641164616 565351240 /nfs/dbraw/zinc/35/12/40/565351240.db2.gz NMFYYBVNMYUPGJ-BBRMVZONSA-N 1 0 378.274 2.751 20 0 GFADRO Cn1c2cc(Br)ccc2nc1Cn1cc(C[C@H]2CCC[NH2+]C2)nn1 ZINC000641171451 565352441 /nfs/dbraw/zinc/35/24/41/565352441.db2.gz ACNMKAGJWCBRNL-GFCCVEGCSA-N 1 0 389.301 2.518 20 0 GFADRO CC(C)(C)[C@@H]([NH3+])c1cn(C[C@H](O)COc2ccc(Br)cc2)nn1 ZINC000641195019 565353488 /nfs/dbraw/zinc/35/34/88/565353488.db2.gz ZHORCFPQBGSIHT-WFASDCNBSA-N 1 0 383.290 2.526 20 0 GFADRO C[C@@H](CCc1ccc(I)cc1)[NH2+]CC[C@@]1(O)CCOC1 ZINC000593670949 565355146 /nfs/dbraw/zinc/35/51/46/565355146.db2.gz MWPYFCUGGXXOCN-XJKSGUPXSA-N 1 0 389.277 2.743 20 0 GFADRO C[C@H](c1ccc(Br)cc1)N1CCN(C[C@@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662264050 565358134 /nfs/dbraw/zinc/35/81/34/565358134.db2.gz POCYCGGUNJLRKR-QAPCUYQASA-N 1 0 394.357 2.649 20 0 GFADRO C[C@@H]([NH2+]CC[C@]1(O)CCCOC1)c1ccc(I)cc1 ZINC000593719831 565358578 /nfs/dbraw/zinc/35/85/78/565358578.db2.gz HZPFUYVNASJGML-IUODEOHRSA-N 1 0 375.250 2.873 20 0 GFADRO NC(=O)[C@@H](c1cccc(Br)c1)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662291555 565358803 /nfs/dbraw/zinc/35/88/03/565358803.db2.gz IBAALLXRPFBUMO-DOTOQJQBSA-N 1 0 380.330 2.687 20 0 GFADRO Cc1ccc(NC(=O)[C@@H](C)N(C)[C@H](C[NH3+])C(F)(F)F)c(Br)c1 ZINC000662332300 565362241 /nfs/dbraw/zinc/36/22/41/565362241.db2.gz WBZYSWYJVBPDPQ-BXKDBHETSA-N 1 0 382.224 2.906 20 0 GFADRO CN[C@H](C(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1cccc(Cl)c1Cl ZINC000662367781 565362680 /nfs/dbraw/zinc/36/26/80/565362680.db2.gz GLKFNYFDMYMUJC-XNJGSVPQSA-N 1 0 388.339 2.869 20 0 GFADRO CC(C)(CNC(=O)c1c[nH]nc1[C@@H]1CC[NH2+]C1)c1ccc(Br)cc1 ZINC000662387594 565364423 /nfs/dbraw/zinc/36/44/23/565364423.db2.gz FJIMATPTJKUANS-GFCCVEGCSA-N 1 0 391.313 2.957 20 0 GFADRO O=C(Cc1ccc(Br)c(Br)c1)NCC[C@H]1CC[NH2+]C1 ZINC000662412110 565366214 /nfs/dbraw/zinc/36/62/14/565366214.db2.gz JHJGPNPWYCDFBA-SNVBAGLBSA-N 1 0 390.119 2.870 20 0 GFADRO C[C@@H](CNC(=O)c1sc2c(c1Br)CNC2)[NH+]1CCC(C)CC1 ZINC000662418155 565366390 /nfs/dbraw/zinc/36/63/90/565366390.db2.gz QKRLANSGXQTQBS-NSHDSACASA-N 1 0 386.359 2.964 20 0 GFADRO CC[NH+]1CCN(CC(=O)Nc2cc(OC)c(Br)cc2Cl)CC1 ZINC000620152674 565372752 /nfs/dbraw/zinc/37/27/52/565372752.db2.gz BJVUSSVUJINTFC-UHFFFAOYSA-N 1 0 390.709 2.687 20 0 GFADRO O=C(NCCc1cc(Cl)ccc1Br)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC000662505707 565372815 /nfs/dbraw/zinc/37/28/15/565372815.db2.gz ORICKEMLQDBZAV-NSHDSACASA-N 1 0 397.704 2.875 20 0 GFADRO FC(F)(F)c1ncnc(NC2CC[NH+]([C@H]3CCOC3)CC2)c1Br ZINC000641448478 565373878 /nfs/dbraw/zinc/37/38/78/565373878.db2.gz CMBYIHHCGLXANG-JTQLQIEISA-N 1 0 395.223 2.923 20 0 GFADRO O=C(c1cc(-c2ccc(Br)cc2)no1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000662522153 565374924 /nfs/dbraw/zinc/37/49/24/565374924.db2.gz VZVSOCZHARVALJ-GXTWGEPZSA-N 1 0 376.254 2.928 20 0 GFADRO CC1(C)CC[NH2+][C@@H]1C(=O)N1CCN(C(=O)c2c(Cl)cccc2Cl)CC1 ZINC000662524513 565375144 /nfs/dbraw/zinc/37/51/44/565375144.db2.gz XPSKLCCCUXLTDC-OAHLLOKOSA-N 1 0 384.307 2.666 20 0 GFADRO O=C(NCCc1cc(Br)ccc1F)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662524966 565375163 /nfs/dbraw/zinc/37/51/63/565375163.db2.gz FAFKIJMSBZIVEA-CYBMUJFWSA-N 1 0 383.183 2.789 20 0 GFADRO O=C(Nc1ncn(Cc2cccc(Br)c2)n1)C1([NH2+]C2CC2)CCC1 ZINC000662548534 565375656 /nfs/dbraw/zinc/37/56/56/565375656.db2.gz HIFDCDUVPBNOKG-UHFFFAOYSA-N 1 0 390.285 2.702 20 0 GFADRO CC[C@@H](Cc1ccc(Br)cc1)NC(=O)[C@@H](C)N1CCN(C)CC1 ZINC000620338925 565380727 /nfs/dbraw/zinc/38/07/27/565380727.db2.gz AEFSBAINPPOGJT-PBHICJAKSA-N 1 0 382.346 2.522 20 0 GFADRO O=C([C@H]1CC[C@H](C2CC2)[NH2+]1)N1CCN(c2ccc(Br)cc2)CC1 ZINC000662656863 565380670 /nfs/dbraw/zinc/38/06/70/565380670.db2.gz VJFUDLRVAXYUJL-IAGOWNOFSA-N 1 0 378.314 2.628 20 0 GFADRO O=C([C@@H]1CC[C@H](C2CC2)[NH2+]1)N1CCN(c2ccc(Br)cc2)CC1 ZINC000662656865 565380834 /nfs/dbraw/zinc/38/08/34/565380834.db2.gz VJFUDLRVAXYUJL-SJORKVTESA-N 1 0 378.314 2.628 20 0 GFADRO O=C([C@H]1CC12CC[NH2+]CC2)N1CCOC[C@H]1c1ccc(Br)cc1 ZINC000662661917 565381308 /nfs/dbraw/zinc/38/13/08/565381308.db2.gz XLDKWTZFWBBPFT-CVEARBPZSA-N 1 0 379.298 2.739 20 0 GFADRO CCO[C@@H]1C[C@@]([NH3+])(C(=O)N2CCOc3cc(Br)ccc3C2)C1(C)C ZINC000662745983 565382732 /nfs/dbraw/zinc/38/27/32/565382732.db2.gz YRCBIQMNRXQGBO-CRAIPNDOSA-N 1 0 397.313 2.703 20 0 GFADRO CCOc1cc(Br)c(CC(=O)NCC23CC(C2)C[NH2+]3)cc1OCC ZINC000662722328 565383665 /nfs/dbraw/zinc/38/36/65/565383665.db2.gz FAYIZAJTJLKWPG-UHFFFAOYSA-N 1 0 397.313 2.657 20 0 GFADRO Cc1ccc2c(c1Br)CN(C(=O)c1c[nH]nc1[C@H]1CC[NH2+]C1)C2 ZINC000662737749 565383699 /nfs/dbraw/zinc/38/36/99/565383699.db2.gz BPURBRCZUDOOTR-NSHDSACASA-N 1 0 375.270 2.714 20 0 GFADRO [NH3+]Cc1cc(=O)[nH]c(CNC(=O)CCCc2cc(Cl)sc2Cl)n1 ZINC000662752358 565384117 /nfs/dbraw/zinc/38/41/17/565384117.db2.gz XWADUIMFKBMVCW-UHFFFAOYSA-N 1 0 375.281 2.648 20 0 GFADRO O=C(c1cc(Br)ccc1Cl)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000620490382 565385797 /nfs/dbraw/zinc/38/57/97/565385797.db2.gz YPNBBGSJEMLUFQ-ZDUSSCGKSA-N 1 0 387.705 2.774 20 0 GFADRO O=C(CCCc1ccccc1Br)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000620481787 565386159 /nfs/dbraw/zinc/38/61/59/565386159.db2.gz WYYLPXPVAFNZQF-KRWDZBQOSA-N 1 0 395.341 2.829 20 0 GFADRO COc1cc(CS(=O)(=O)N2CCC3(CCC([NH+](C)C)CC3)CC2)sn1 ZINC000641615202 565386853 /nfs/dbraw/zinc/38/68/53/565386853.db2.gz HXOWXZMUEQLBLP-UHFFFAOYSA-N 1 0 387.571 2.568 20 0 GFADRO O=C(N1CCOc2cccc(Br)c2C1)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662830742 565387175 /nfs/dbraw/zinc/38/71/75/565387175.db2.gz IDHACEJUUGPUCE-CQSZACIVSA-N 1 0 393.203 2.712 20 0 GFADRO O=C(N[C@@H]1CC[NH2+]C2(CCC2)C1)c1cc(Br)cc2c1OCCO2 ZINC000662819445 565387217 /nfs/dbraw/zinc/38/72/17/565387217.db2.gz FVDRNPSUHXDTBB-GFCCVEGCSA-N 1 0 381.270 2.625 20 0 GFADRO CN(C)c1ncc(Br)cc1C(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662843278 565387571 /nfs/dbraw/zinc/38/75/71/565387571.db2.gz RSEGBZQZWQXPNV-AWEZNQCLSA-N 1 0 395.345 2.762 20 0 GFADRO COC(=O)c1cc(NC(=O)[C@@H]2C[C@@]23CCC[NH2+]C3)cc(Br)c1F ZINC000594456380 565387989 /nfs/dbraw/zinc/38/79/89/565387989.db2.gz NYRJCVPVKQXNKY-MEDUHNTESA-N 1 0 385.233 2.703 20 0 GFADRO CCC[N@H+](C)CC(C)(C)NC(=O)c1cc2c(cc1Br)NC(=O)CO2 ZINC000620622547 565389898 /nfs/dbraw/zinc/38/98/98/565389898.db2.gz VVLLMDPJUZZHRL-UHFFFAOYSA-N 1 0 398.301 2.630 20 0 GFADRO C[NH2+]C[C@H](C)NC(=O)c1ccc(OCc2cc(C)no2)c(Br)c1 ZINC000662963406 565390419 /nfs/dbraw/zinc/39/04/19/565390419.db2.gz UJKHNXVTWZYOKR-NSHDSACASA-N 1 0 382.258 2.662 20 0 GFADRO C[NH2+]C[C@@H](C)NC(=O)c1ccccc1Sc1ccc(S(C)(=O)=O)cc1 ZINC000662961924 565390944 /nfs/dbraw/zinc/39/09/44/565390944.db2.gz DLQZBQVMJGIVSE-CYBMUJFWSA-N 1 0 378.519 2.579 20 0 GFADRO Cc1cc(Br)ccc1[C@@H](C)[NH2+]C1CCN(CC(=O)N(C)C)CC1 ZINC000641773353 565398429 /nfs/dbraw/zinc/39/84/29/565398429.db2.gz HNGCMYVBLBRGDY-CQSZACIVSA-N 1 0 382.346 2.961 20 0 GFADRO C[NH+](C)C[C@H]1COC2(CCCC2)CN1C(=O)c1ccc(Br)cc1O ZINC000620910033 565400337 /nfs/dbraw/zinc/40/03/37/565400337.db2.gz LYOACVOKJASYIT-AWEZNQCLSA-N 1 0 397.313 2.870 20 0 GFADRO C[NH+](C)C[C@@H]1COC2(CCCC2)CN1C(=O)c1nscc1Br ZINC000620917928 565401812 /nfs/dbraw/zinc/40/18/12/565401812.db2.gz PLMFCICMOPKBOV-LLVKDONJSA-N 1 0 388.331 2.621 20 0 GFADRO COC(=O)c1cc(C[NH2+]CCNC(=O)c2ccc(Br)cc2)c(C)o1 ZINC000594598925 565402054 /nfs/dbraw/zinc/40/20/54/565402054.db2.gz DIERBVZXGRHTAF-UHFFFAOYSA-N 1 0 395.253 2.657 20 0 GFADRO C[C@H](Oc1ccc(Br)cc1)C(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000620964394 565403475 /nfs/dbraw/zinc/40/34/75/565403475.db2.gz ZHGIYUKCPSALRB-WMLDXEAASA-N 1 0 399.329 2.786 20 0 GFADRO CC(C)[C@@H]1CN(C(=O)c2[nH]nc(-c3ccccc3)c2Br)CC[NH2+]1 ZINC000621152547 565408446 /nfs/dbraw/zinc/40/84/46/565408446.db2.gz YOYAQLYMPAZQLP-ZDUSSCGKSA-N 1 0 377.286 2.909 20 0 GFADRO CCn1c(SCC(=O)N2CC[NH2+][C@H](C(C)C)C2)nnc1-c1cccs1 ZINC000621147944 565408661 /nfs/dbraw/zinc/40/86/61/565408661.db2.gz CJYUYBCUKCEBLN-ZDUSSCGKSA-N 1 0 379.555 2.575 20 0 GFADRO CC[C@@H]1CN(C(=O)C(=O)NCCCc2ccc(Cl)cc2Cl)CC[C@H]1[NH3+] ZINC000642351381 565411274 /nfs/dbraw/zinc/41/12/74/565411274.db2.gz MZMOSUXXXLYIQO-MLGOLLRUSA-N 1 0 386.323 2.628 20 0 GFADRO CN([C@H](C[NH3+])C(F)(F)F)S(=O)(=O)c1cccc(Cl)c1Br ZINC000663310553 565411425 /nfs/dbraw/zinc/41/14/25/565411425.db2.gz IHRFZBWDXQZRGJ-MRVPVSSYSA-N 1 0 395.628 2.613 20 0 GFADRO C[C@@]1(NS(=O)(=O)c2cc(Br)c(Cl)cc2Cl)CC[NH2+]C1 ZINC000663313399 565411409 /nfs/dbraw/zinc/41/14/09/565411409.db2.gz ZVPJTSCYAPMJIC-LLVKDONJSA-N 1 0 388.114 2.786 20 0 GFADRO C[C@@H](NC1CC[NH+]([C@H]2CCOC2)CC1)C(=O)Nc1ccc(Br)cc1 ZINC000663303885 565411640 /nfs/dbraw/zinc/41/16/40/565411640.db2.gz KZJIFGPGNIIXDG-DYVFJYSZSA-N 1 0 396.329 2.619 20 0 GFADRO Cc1cc(S(=O)(=O)NCC[N@H+]2CCC[C@@H](C)C2)ccc1Br ZINC000642523597 565413410 /nfs/dbraw/zinc/41/34/10/565413410.db2.gz YRKGIUYFWUXQMP-GFCCVEGCSA-N 1 0 375.332 2.768 20 0 GFADRO O[C@H](C[NH2+]CC1CCC(O)CC1)COc1ccc(Cl)cc1Br ZINC000663364921 565415235 /nfs/dbraw/zinc/41/52/35/565415235.db2.gz CUDOYQOKMYFUPV-UXUKBGGZSA-N 1 0 392.721 2.983 20 0 GFADRO CC(C)(CNC(=O)C(=O)N[C@H]1CCC[NH2+]CC1)c1ccc(Cl)c(Cl)c1 ZINC000642724854 565417407 /nfs/dbraw/zinc/41/74/07/565417407.db2.gz NVJNARCZQPRMHT-ZDUSSCGKSA-N 1 0 386.323 2.646 20 0 GFADRO CC[C@@H]1CN(C(=O)C(=O)NC[C@@H](C)c2c(Cl)cccc2Cl)CC[C@H]1[NH3+] ZINC000642756873 565417445 /nfs/dbraw/zinc/41/74/45/565417445.db2.gz QGPANKUKUFZNLP-LALPHHSUSA-N 1 0 386.323 2.799 20 0 GFADRO COc1ccc2c(c1)CC[C@@H]([NH2+]Cc1ccc(S(N)(=O)=O)c(Cl)c1)C2 ZINC000642793109 565417522 /nfs/dbraw/zinc/41/75/22/565417522.db2.gz IDGVCYZBEKOATE-OAHLLOKOSA-N 1 0 380.897 2.643 20 0 GFADRO CC[NH+]1CCN(CCNc2ccnc3c(Br)ccc(F)c23)CC1 ZINC000663399137 565417563 /nfs/dbraw/zinc/41/75/63/565417563.db2.gz RWQANZIKWOBAEY-UHFFFAOYSA-N 1 0 381.293 2.608 20 0 GFADRO O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000643092622 565421027 /nfs/dbraw/zinc/42/10/27/565421027.db2.gz NUKHLTPKLOZCNO-DOMZBBRYSA-N 1 0 378.416 2.738 20 0 GFADRO CN(C)C(=O)CN(CC[NH+](C)C)c1nc2c(cccc2Br)s1 ZINC000621336039 565421914 /nfs/dbraw/zinc/42/19/14/565421914.db2.gz IMOQXWYKSVGXJW-UHFFFAOYSA-N 1 0 385.331 2.515 20 0 GFADRO O=S1(=O)CCC(O)(C[NH2+]C2(c3ccc(C(F)(F)F)cc3)CCC2)CC1 ZINC000621352052 565422001 /nfs/dbraw/zinc/42/20/01/565422001.db2.gz LFVPXQPDOIJBQH-UHFFFAOYSA-N 1 0 377.428 2.614 20 0 GFADRO C[NH+]1CCN(C(C)(C)CNC(=O)NCCc2ccc(Cl)cc2Cl)CC1 ZINC000643222006 565425688 /nfs/dbraw/zinc/42/56/88/565425688.db2.gz NWYKJHKDUPYKTG-UHFFFAOYSA-N 1 0 387.355 2.861 20 0 GFADRO C[C@]1(NC(=O)Nc2ccnn2Cc2cccc(Br)c2)CC[NH2+]C1 ZINC000663590357 565426846 /nfs/dbraw/zinc/42/68/46/565426846.db2.gz HDPLKEBMLWWYED-INIZCTEOSA-N 1 0 378.274 2.567 20 0 GFADRO [NH3+][C@H]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(OC(F)(F)F)cc2Cl)C1 ZINC000663605197 565427954 /nfs/dbraw/zinc/42/79/54/565427954.db2.gz QEACDVHEGXUATN-DTWKUNHWSA-N 1 0 379.766 2.563 20 0 GFADRO Cn1c(Sc2nc(C3CC3)ncc2Br)nnc1[C@H]1CCC[NH2+]C1 ZINC000663630275 565429306 /nfs/dbraw/zinc/42/93/06/565429306.db2.gz VMSLSYXZOAKASK-JTQLQIEISA-N 1 0 395.330 2.863 20 0 GFADRO Brc1ccc2nnc(N3CC[C@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)n2c1 ZINC000663737091 565432664 /nfs/dbraw/zinc/43/26/64/565432664.db2.gz RMFCLPHWPLCUJQ-WFASDCNBSA-N 1 0 376.302 2.945 20 0 GFADRO C[C@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000643488474 565434002 /nfs/dbraw/zinc/43/40/02/565434002.db2.gz ODJAENQFUPBNHF-BFQNTYOBSA-N 1 0 384.307 2.723 20 0 GFADRO O=C(c1cc2c(cc1Br)OCO2)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000621642515 565435013 /nfs/dbraw/zinc/43/50/13/565435013.db2.gz PFDBPBVVVPASBZ-CQSZACIVSA-N 1 0 381.270 2.782 20 0 GFADRO [NH3+][C@@H]1CCO[C@H](C2CCN(C(=O)COc3ccc(Br)cc3)CC2)C1 ZINC000643606040 565434959 /nfs/dbraw/zinc/43/49/59/565434959.db2.gz GTZDKKQCLVEELV-WBVHZDCISA-N 1 0 397.313 2.573 20 0 GFADRO COC(=O)[C@@H]1C[C@H]1[C@H](C)[NH2+]Cc1nnc(-c2ccc(Br)cc2)[nH]1 ZINC000594930921 565435799 /nfs/dbraw/zinc/43/57/99/565435799.db2.gz BTTFVSWQUZXUJQ-TVYUQYBPSA-N 1 0 379.258 2.521 20 0 GFADRO COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]Cc1nnc2c(Cl)cc(C(F)(F)F)cn12 ZINC000594915894 565436307 /nfs/dbraw/zinc/43/63/07/565436307.db2.gz XDRQPQZFCKDAKX-SZEHBUNVSA-N 1 0 376.766 2.689 20 0 GFADRO C[S@](=O)[C@H]1CCC[C@H]([NH2+]Cc2ncc(I)s2)C1 ZINC000594963088 565438838 /nfs/dbraw/zinc/43/88/38/565438838.db2.gz AYYDZKXMKHCRID-GSRNSYJJSA-N 1 0 384.308 2.527 20 0 GFADRO COc1cc(C[NH2+][C@@H]2CCC[C@H]([S@](C)=O)C2)cc(Br)c1O ZINC000594966397 565438843 /nfs/dbraw/zinc/43/88/43/565438843.db2.gz RHOBOFDTRGWYQG-IDFMNXDXSA-N 1 0 376.316 2.943 20 0 GFADRO CO[C@@H]1CCC[C@@H]([C@H](CO)[NH2+]Cc2ccc(I)cc2)C1 ZINC000594965014 565438964 /nfs/dbraw/zinc/43/89/64/565438964.db2.gz NKEUAQDANPYHCZ-BMFZPTHFSA-N 1 0 389.277 2.947 20 0 GFADRO O=C(NCCOc1cccc(Br)c1)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000594977702 565439322 /nfs/dbraw/zinc/43/93/22/565439322.db2.gz IFNJCCQXGQIRFC-HNNXBMFYSA-N 1 0 382.302 2.611 20 0 GFADRO CCCc1ccc(C[N@H+](C)CCN(C)c2ccc(S(N)(=O)=O)cc2)s1 ZINC000621729447 565439453 /nfs/dbraw/zinc/43/94/53/565439453.db2.gz UZZNNSPOQLIUAE-UHFFFAOYSA-N 1 0 381.567 2.916 20 0 GFADRO C[NH+](C)CCC[C@H]1CN(C(=O)NCc2cccc(Br)c2)CCO1 ZINC000663855971 565439654 /nfs/dbraw/zinc/43/96/54/565439654.db2.gz KQQKFCLHTWOHCR-INIZCTEOSA-N 1 0 384.318 2.701 20 0 GFADRO O=C(NCc1ccccc1Br)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000663859491 565440024 /nfs/dbraw/zinc/44/00/24/565440024.db2.gz UTZHCCMLEBHXJH-INIZCTEOSA-N 1 0 396.329 2.845 20 0 GFADRO CC(C)(C[NH2+]Cc1cccc(I)c1)[C@]1(O)CCCOC1 ZINC000594995365 565441003 /nfs/dbraw/zinc/44/10/03/565441003.db2.gz IVDCNKGAIBTMAY-INIZCTEOSA-N 1 0 389.277 2.949 20 0 GFADRO CN(C)C(=O)c1ccc(C[NH2+]CCc2ccc(I)cc2)[nH]1 ZINC000594996468 565440953 /nfs/dbraw/zinc/44/09/53/565440953.db2.gz NRNBQSZUPNKQAM-UHFFFAOYSA-N 1 0 397.260 2.653 20 0 GFADRO OCCCSCC[NH2+][C@H]1CCc2ccc(I)cc21 ZINC000595013856 565442334 /nfs/dbraw/zinc/44/23/34/565442334.db2.gz UDPQCSAABCKQTC-AWEZNQCLSA-N 1 0 377.291 2.984 20 0 GFADRO O=C1C[C@@H]([NH2+][C@@H]2CCc3ccc(I)cc32)CN1C1CC1 ZINC000595025869 565443839 /nfs/dbraw/zinc/44/38/39/565443839.db2.gz JMQMIEOMPIYOGF-IUODEOHRSA-N 1 0 382.245 2.631 20 0 GFADRO C[C@H]1C[C@@H](NC(=O)NCC(F)(F)c2ccc(Br)cc2)CC[NH2+]1 ZINC000621848477 565444691 /nfs/dbraw/zinc/44/46/91/565444691.db2.gz YWUHSLBRWZWFAL-GWCFXTLKSA-N 1 0 376.245 2.981 20 0 GFADRO C[C@@H]1CN(C(=O)NCC(F)(F)c2ccc(Br)cc2)CC[C@@H]1[NH3+] ZINC000621851370 565445089 /nfs/dbraw/zinc/44/50/89/565445089.db2.gz RVPAZSVVAYRAHP-MFKMUULPSA-N 1 0 376.245 2.920 20 0 GFADRO Cn1nnc2c1CC[C@@H]([NH2+][C@H]1CCc3ccc(I)cc31)C2 ZINC000595044496 565445981 /nfs/dbraw/zinc/44/59/81/565445981.db2.gz ASHMYONWDSYRST-OCCSQVGLSA-N 1 0 394.260 2.554 20 0 GFADRO C[NH+](C)CCC[C@@H]1CN(C(=O)NCc2ccc(Br)cc2)CCO1 ZINC000664025282 565449120 /nfs/dbraw/zinc/44/91/20/565449120.db2.gz SDJNVHWPFSGVHU-MRXNPFEDSA-N 1 0 384.318 2.701 20 0 GFADRO COC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H](C)[C@H]2CCC[NH3+])c(Cl)c1 ZINC000595119023 565450368 /nfs/dbraw/zinc/45/03/68/565450368.db2.gz YLPLZPKNVNPWLB-IUODEOHRSA-N 1 0 388.917 2.655 20 0 GFADRO [NH3+][C@]12CCC[C@@H]1CN(Cc1ncc(Br)cc1Br)C2 ZINC000622003898 565454640 /nfs/dbraw/zinc/45/46/40/565454640.db2.gz HFBIHQXDZDOHLD-RNCFNFMXSA-N 1 0 375.108 2.920 20 0 GFADRO [NH3+][C@@]12CCC[C@@H]1CN(S(=O)(=O)c1cc(Cl)c(Br)cc1F)C2 ZINC000622014515 565455129 /nfs/dbraw/zinc/45/51/29/565455129.db2.gz GSSYGBZLFBBAPP-AMIZOPFISA-N 1 0 397.697 2.744 20 0 GFADRO C[C@@H]1CCCN(C(=O)c2ccc(-n3cc(Br)cn3)cc2)[C@@H]1C[NH3+] ZINC000644063697 565456006 /nfs/dbraw/zinc/45/60/06/565456006.db2.gz TZRFWWDEIAUDJZ-MLGOLLRUSA-N 1 0 377.286 2.834 20 0 GFADRO C[C@H](CNC(=O)[C@@H]1C[NH2+]CCC1(F)F)Oc1cccc(Br)c1 ZINC000644042932 565456318 /nfs/dbraw/zinc/45/63/18/565456318.db2.gz BQPQMXZSIVJHPW-MFKMUULPSA-N 1 0 377.229 2.577 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H](NC(=O)Nc2ccc(I)cc2F)C1 ZINC000595234156 565457227 /nfs/dbraw/zinc/45/72/27/565457227.db2.gz FTKHUUYELBTZGK-NXEZZACHSA-N 1 0 377.201 2.822 20 0 GFADRO CCOC(=O)c1c(NC(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)sc2c1CCSC2 ZINC000595241803 565457720 /nfs/dbraw/zinc/45/77/20/565457720.db2.gz DHWBHSMQVRNMAO-GHMZBOCLSA-N 1 0 387.502 2.617 20 0 GFADRO CCc1nc(C(=O)N2CC[NH2+]CC2(C)C)nn1-c1c(Cl)cccc1Cl ZINC000644074393 565457822 /nfs/dbraw/zinc/45/78/22/565457822.db2.gz NXQJVDROXYRCOA-UHFFFAOYSA-N 1 0 382.295 2.961 20 0 GFADRO COc1ccc(Br)c(CC(=O)NC[C@@H]([NH3+])c2ccccc2OC)c1 ZINC000644090845 565458666 /nfs/dbraw/zinc/45/86/66/565458666.db2.gz IQBWKKFOAAWLJO-MRXNPFEDSA-N 1 0 393.281 2.825 20 0 GFADRO CC[NH+](CC)Cc1ccc(C(=O)Nc2nc(C)c(SCC(N)=O)s2)o1 ZINC000622051955 565459593 /nfs/dbraw/zinc/45/95/93/565459593.db2.gz NSWOCMQQBVYQPZ-UHFFFAOYSA-N 1 0 382.511 2.716 20 0 GFADRO CN(CC(C)(C)[NH3+])C(=O)NCc1cc(Cl)cc(I)c1 ZINC000595274555 565460605 /nfs/dbraw/zinc/46/06/05/565460605.db2.gz SVPJIOGBGQFWCU-UHFFFAOYSA-N 1 0 395.672 2.823 20 0 GFADRO O[C@H]1CC[N@@H+](C2CCN(c3ccc(Br)c(C(F)(F)F)n3)CC2)C1 ZINC000664598891 565469105 /nfs/dbraw/zinc/46/91/05/565469105.db2.gz XMTAQZUSQROSQG-NSHDSACASA-N 1 0 394.235 2.898 20 0 GFADRO C[N@H+]1C[C@H]2[C@@H](CCN2S(=O)(=O)Cc2ccc(Cl)cc2Br)C1 ZINC000644301604 565471216 /nfs/dbraw/zinc/47/12/16/565471216.db2.gz QGBQHEHSPDXBJU-HZMBPMFUSA-N 1 0 393.734 2.568 20 0 GFADRO O[C@@H](C[NH2+]C1CCN(CC(F)F)CC1)COc1cccc(Br)c1 ZINC000644532575 565480731 /nfs/dbraw/zinc/48/07/31/565480731.db2.gz ATJXYIGBRXPZCZ-AWEZNQCLSA-N 1 0 393.272 2.508 20 0 GFADRO CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+][C@@H]2CC[C@](O)(C(F)(F)F)C2)cc1 ZINC000644554196 565481973 /nfs/dbraw/zinc/48/19/73/565481973.db2.gz VPQDCYSXLHBBKY-NILFDRSVSA-N 1 0 380.432 2.945 20 0 GFADRO CN(C)C(=O)[C@@H]1CCC[C@@H]([NH2+]C[C@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000644568006 565483041 /nfs/dbraw/zinc/48/30/41/565483041.db2.gz XORYDKVTIUQHHT-YUELXQCFSA-N 1 0 389.323 2.970 20 0 GFADRO COC[C@H](C)OC[C@H](O)C[NH2+][C@H]1CCCN(c2ccc(Cl)cc2Cl)C1 ZINC000644631209 565486566 /nfs/dbraw/zinc/48/65/66/565486566.db2.gz MBHGZQGCUVWSKS-CWRNSKLLSA-N 1 0 391.339 2.964 20 0 GFADRO COC[C@H](C)OC[C@@H](O)C[NH2+][C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1 ZINC000644631210 565486795 /nfs/dbraw/zinc/48/67/95/565486795.db2.gz MBHGZQGCUVWSKS-IMJJTQAJSA-N 1 0 391.339 2.964 20 0 GFADRO COc1ccc(CC[NH2+]CCS(=O)(=O)c2ccccc2)c(Cl)c1OC ZINC000644653410 565487842 /nfs/dbraw/zinc/48/78/42/565487842.db2.gz QMTDZRPKLALXPJ-UHFFFAOYSA-N 1 0 383.897 2.963 20 0 GFADRO CC[C@@H]1C[C@H]([NH2+]CCS(=O)(=O)c2cccc(Br)c2)CCO1 ZINC000644674326 565488580 /nfs/dbraw/zinc/48/85/80/565488580.db2.gz QLBCZCMGAOCXKL-ZIAGYGMSSA-N 1 0 376.316 2.770 20 0 GFADRO CC(C)(C)OC(=O)[C@]12COC[C@H]1CN(Cc1ccc(Br)cn1)C2 ZINC000595719095 565488981 /nfs/dbraw/zinc/48/89/81/565488981.db2.gz WUCQDBPCFFIQOW-SJKOYZFVSA-N 1 0 383.286 2.634 20 0 GFADRO C[C@H]1[C@@H](NC(=O)c2cc(Br)c[nH]c2=O)CC[N@@H+]1Cc1ccccc1 ZINC000623027280 565490489 /nfs/dbraw/zinc/49/04/89/565490489.db2.gz DTVWRLQOTGUBQK-LRDDRELGSA-N 1 0 390.281 2.943 20 0 GFADRO CN(CCC[N@H+](C)Cc1ccncc1)C(=O)c1cc(Br)c[nH]c1=O ZINC000623027172 565490622 /nfs/dbraw/zinc/49/06/22/565490622.db2.gz AJZQLHWTAUPFEI-UHFFFAOYSA-N 1 0 393.285 2.539 20 0 GFADRO NC(=O)[C@]1(c2ccccc2)CC[N@H+](Cc2cn3cc(Br)ccc3n2)C1 ZINC000665129648 565490812 /nfs/dbraw/zinc/49/08/12/565490812.db2.gz LOZKYAJPPPHMED-LJQANCHMSA-N 1 0 399.292 2.726 20 0 GFADRO Cc1ccc(Br)c(CNC(=O)NCCN2C[C@@H](C)OC[C@H]2C)c1 ZINC000665141443 565491478 /nfs/dbraw/zinc/49/14/78/565491478.db2.gz BGMIHFUUSPZQBA-ZIAGYGMSSA-N 1 0 384.318 2.666 20 0 GFADRO OC[C@H]([NH2+]Cc1coc(-c2ccc(Br)cc2)n1)[C@H]1CCCOC1 ZINC000665194202 565492143 /nfs/dbraw/zinc/49/21/43/565492143.db2.gz BRQVFBWUYNFQQY-BBRMVZONSA-N 1 0 381.270 2.981 20 0 GFADRO C[C@@H]1CC2(CN1C(=O)c1nc(C3CC3)ncc1Br)CC[NH2+]CC2 ZINC000623072561 565492737 /nfs/dbraw/zinc/49/27/37/565492737.db2.gz GOBSFYRWJULXEP-LLVKDONJSA-N 1 0 379.302 2.721 20 0 GFADRO CC[C@@H](C)[C@H]([NH3+])C(=O)NCc1cc(Cl)ccc1I ZINC000595938772 565500075 /nfs/dbraw/zinc/50/00/75/565500075.db2.gz SHLALDKIPALYTE-PELKAZGASA-N 1 0 380.657 2.934 20 0 GFADRO COc1cc2[nH+]ccc(N3CCS(=O)(=O)[C@H](C)C3)c2cc1Br ZINC000644873389 565500604 /nfs/dbraw/zinc/50/06/04/565500604.db2.gz ZXNHPRJWTSMISD-SNVBAGLBSA-N 1 0 385.283 2.629 20 0 GFADRO CN(CC(C)(C)[NH3+])C(=O)CCC[S@@](=O)c1ccc(Br)cc1 ZINC000595947669 565501003 /nfs/dbraw/zinc/50/10/03/565501003.db2.gz UOAHLMFWIMPMSQ-OAQYLSRUSA-N 1 0 375.332 2.533 20 0 GFADRO [NH3+]C1(CNC(=O)CCC[S@](=O)c2ccc(Br)cc2)CCCC1 ZINC000595941043 565501428 /nfs/dbraw/zinc/50/14/28/565501428.db2.gz KTSKCYSTQRJDSF-QFIPXVFZSA-N 1 0 387.343 2.725 20 0 GFADRO COC(=O)[C@@H]1C[C@H](C(F)(F)F)CN(C(=O)[C@H]([NH3+])c2cccc(Cl)c2)C1 ZINC000595963217 565502071 /nfs/dbraw/zinc/50/20/71/565502071.db2.gz OIEVOXFIJXXVCE-NTZNESFSSA-N 1 0 378.778 2.540 20 0 GFADRO C[C@]1(C(=O)NCc2cc(Cl)ccc2I)CCC[NH2+]C1 ZINC000595963421 565502734 /nfs/dbraw/zinc/50/27/34/565502734.db2.gz RTZKKQSEGCHMAI-AWEZNQCLSA-N 1 0 392.668 2.951 20 0 GFADRO COc1ncc(Br)cc1CNC(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000623369322 565505146 /nfs/dbraw/zinc/50/51/46/565505146.db2.gz ZDECAQRJGWBZME-UHFFFAOYSA-N 1 0 399.333 2.916 20 0 GFADRO Cc1cc(C[NH2+]CCNC(=O)c2c(F)cccc2F)ncc1Br ZINC000623417013 565509238 /nfs/dbraw/zinc/50/92/38/565509238.db2.gz OVHBYBZIOHUCSW-UHFFFAOYSA-N 1 0 384.224 2.950 20 0 GFADRO C[C@@H](CO)[C@H](C)[NH2+]Cc1cc(Cl)cc(Cl)c1OCCN1CCOCC1 ZINC000623427814 565509691 /nfs/dbraw/zinc/50/96/91/565509691.db2.gz NZAUUZRCSCBJTO-KBPBESRZSA-N 1 0 391.339 2.811 20 0 GFADRO Cc1cc(Br)c(CNC[C@@](C)(O)C[NH+](C)C)cc1Br ZINC000623471030 565513614 /nfs/dbraw/zinc/51/36/14/565513614.db2.gz LRMOZBRWQLZYDG-CQSZACIVSA-N 1 0 394.151 2.922 20 0 GFADRO C[C@@H]([NH2+]CC(=O)N1CCOC[C@H]1C1CC1)c1ccc(F)c(Br)c1 ZINC000645193377 565515536 /nfs/dbraw/zinc/51/55/36/565515536.db2.gz GKIHUXLFUUCCJE-BZNIZROVSA-N 1 0 385.277 2.876 20 0 GFADRO C[C@@H]([NH2+]C[C@H](O)COC1CCOCC1)c1ccc(F)c(Br)c1 ZINC000645194512 565516878 /nfs/dbraw/zinc/51/68/78/565516878.db2.gz IKDKBEYWGOIGKP-YPMHNXCESA-N 1 0 376.266 2.795 20 0 GFADRO COc1ccc(Br)cc1CNC(=O)NC[C@@H]1CCCC[N@H+](C)C1 ZINC000623527204 565517184 /nfs/dbraw/zinc/51/71/84/565517184.db2.gz LZFOTFKJJGUHLW-ZDUSSCGKSA-N 1 0 384.318 2.989 20 0 GFADRO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+][C@@H]1CN(C)Cc2ccccc21 ZINC000666114695 565522584 /nfs/dbraw/zinc/52/25/84/565522584.db2.gz SWYNPXJSPGNJSD-SUMWQHHRSA-N 1 0 376.298 2.776 20 0 GFADRO OC[C@]1([NH2+]Cc2cc3n(n2)CCC3)CCc2cc(Br)ccc2C1 ZINC000623645260 565523113 /nfs/dbraw/zinc/52/31/13/565523113.db2.gz VEVWUDJGRPSNCG-SFHVURJKSA-N 1 0 376.298 2.601 20 0 GFADRO C[NH+]1CCC2(CC1)CN(c1ncnc3ccc(Br)cc31)CCO2 ZINC000645384953 565523509 /nfs/dbraw/zinc/52/35/09/565523509.db2.gz NRQRHKFDQGCWFB-UHFFFAOYSA-N 1 0 377.286 2.693 20 0 GFADRO CN1CCOC[C@@H]1C[NH2+]Cc1cc(Br)cc(Br)c1 ZINC000623712950 565526408 /nfs/dbraw/zinc/52/64/08/565526408.db2.gz OZKVEUUMZAZZHY-ZDUSSCGKSA-N 1 0 378.108 2.632 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+]C2CCN(c3cccs3)CC2)cc1Cl ZINC000666286877 565530163 /nfs/dbraw/zinc/53/01/63/565530163.db2.gz VTEUTWXCEBQYHF-UHFFFAOYSA-N 1 0 385.942 2.808 20 0 GFADRO Cc1noc([C@@H]2OCC[C@@H]2[NH2+]Cc2cc(Br)c3c(c2)OCCO3)n1 ZINC000623814566 565531281 /nfs/dbraw/zinc/53/12/81/565531281.db2.gz KGMALNZLUGIZIX-SWLSCSKDSA-N 1 0 396.241 2.532 20 0 GFADRO C[NH+](C)[C@H]1CCCN(S(=O)(=O)Cc2ccc(Br)cc2Cl)C1 ZINC000645528913 565534795 /nfs/dbraw/zinc/53/47/95/565534795.db2.gz YEFGOZOYZGQNJC-ZDUSSCGKSA-N 1 0 395.750 2.958 20 0 GFADRO COc1cc(CNC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c(Br)cc1O ZINC000645527746 565534877 /nfs/dbraw/zinc/53/48/77/565534877.db2.gz OYNKMTMIBBJJFP-YHWZYXNKSA-N 1 0 398.301 2.588 20 0 GFADRO C[C@@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+]CCCN1CCCS1(=O)=O ZINC000623911612 565534925 /nfs/dbraw/zinc/53/49/25/565534925.db2.gz HIHPBGIJEVHYQC-NSHDSACASA-N 1 0 399.866 2.700 20 0 GFADRO CC(C)(C)[N@@H+]1C[C@@H](C(=O)N2CCO[C@@H](C(F)(F)F)C2)[C@H](C(F)(F)F)C1 ZINC000645536756 565535889 /nfs/dbraw/zinc/53/58/89/565535889.db2.gz BEOVLXJMSKGUSY-GMTAPVOTSA-N 1 0 376.341 2.685 20 0 GFADRO C[C@@H]([NH2+]C[C@]1(OCCO)CCOC1)c1cc(F)c(Br)cc1F ZINC000624012035 565538579 /nfs/dbraw/zinc/53/85/79/565538579.db2.gz PZCAIAPQDSXMKC-MEBBXXQBSA-N 1 0 380.229 2.546 20 0 GFADRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)c1ncccc1C(F)(F)F ZINC000645596819 565542478 /nfs/dbraw/zinc/54/24/78/565542478.db2.gz NOHNSSBBUHXISE-XQQFMLRXSA-N 1 0 379.448 2.745 20 0 GFADRO C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)Nc1ccc(I)cc1F ZINC000597024339 565548316 /nfs/dbraw/zinc/54/83/16/565548316.db2.gz HJOYDUVRUVNFIT-UWVGGRQHSA-N 1 0 391.228 2.987 20 0 GFADRO O[C@@H]1CCN(CC[NH2+][C@H](c2cccc(Br)c2)C2CCOCC2)C1 ZINC000624231219 565548679 /nfs/dbraw/zinc/54/86/79/565548679.db2.gz STGVDYMWTWQTQL-MSOLQXFVSA-N 1 0 383.330 2.573 20 0 GFADRO CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+]CCN(C)CC(F)F)cc1 ZINC000624321858 565551120 /nfs/dbraw/zinc/55/11/20/565551120.db2.gz BHKJRRMIXJVDIL-CQSZACIVSA-N 1 0 377.501 2.565 20 0 GFADRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC[C@@H]1C(F)(F)F ZINC000624390090 565554768 /nfs/dbraw/zinc/55/47/68/565554768.db2.gz UVQPATBCQNDSHD-SKDRFNHKSA-N 1 0 390.349 2.853 20 0 GFADRO [NH3+]C[C@@H]1CN(S(=O)(=O)Cc2ccc(F)c(Cl)c2)CC[C@@H]1C(F)(F)F ZINC000624390988 565554813 /nfs/dbraw/zinc/55/48/13/565554813.db2.gz NTKRMBLGOMNHCQ-MNOVXSKESA-N 1 0 388.814 2.768 20 0 GFADRO Cc1cc(S(=O)(=O)N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)c(Cl)cc1F ZINC000624391054 565554949 /nfs/dbraw/zinc/55/49/49/565554949.db2.gz OVDMTOHSDDOTRY-ZJUUUORDSA-N 1 0 388.814 2.935 20 0 GFADRO CCN1CC[C@H]2OCCN(S(=O)(=O)c3cc4cccc(C)c4s3)[C@H]2C1 ZINC000645733825 565556333 /nfs/dbraw/zinc/55/63/33/565556333.db2.gz NHIFSNFHHKUJTL-JKSUJKDBSA-N 1 0 380.535 2.693 20 0 GFADRO COC(=O)c1ccc(C[NH2+]CCc2ccc(I)cc2)[nH]1 ZINC000597227679 565556967 /nfs/dbraw/zinc/55/69/67/565556967.db2.gz ANIWBCIIAGSOBN-UHFFFAOYSA-N 1 0 384.217 2.738 20 0 GFADRO CC[C@H](Cc1ccc(Br)cc1)[NH2+]C1CCN(CC(=O)OC)CC1 ZINC000597230538 565556986 /nfs/dbraw/zinc/55/69/86/565556986.db2.gz GZRFDPITCXBMGV-MRXNPFEDSA-N 1 0 383.330 2.997 20 0 GFADRO Cc1cc(Br)cc(NC(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)c1 ZINC000666798769 565556965 /nfs/dbraw/zinc/55/69/65/565556965.db2.gz SHVBRWZCLQTVDU-INIZCTEOSA-N 1 0 382.302 2.820 20 0 GFADRO CCOC(=O)CC1([NH2+]Cc2cnc3ccc(Br)cn23)CCOCC1 ZINC000597236586 565557045 /nfs/dbraw/zinc/55/70/45/565557045.db2.gz VBCUCOGMJYFBLZ-UHFFFAOYSA-N 1 0 396.285 2.689 20 0 GFADRO CN(CCC[NH+](C)C)CCNC(=O)Nc1cc2c(cc1Br)CCC2 ZINC000666896050 565562678 /nfs/dbraw/zinc/56/26/78/565562678.db2.gz HDHXPMSAVNURHH-UHFFFAOYSA-N 1 0 397.361 2.943 20 0 GFADRO CCC[N@@H+]1CC[C@@H](NC(=O)NC[C@H](O)COc2cccc(Cl)c2Cl)C1 ZINC000666928805 565563281 /nfs/dbraw/zinc/56/32/81/565563281.db2.gz TWKXBSWRZXDGOI-OLZOCXBDSA-N 1 0 390.311 2.517 20 0 GFADRO CCN(C(=O)Nc1ccc2nccnc2c1Br)[C@@H]1CC[N@H+](C)C1 ZINC000667079770 565568389 /nfs/dbraw/zinc/56/83/89/565568389.db2.gz BBKJRWUVDMPYJE-LLVKDONJSA-N 1 0 378.274 2.950 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)c1c(F)c(F)c(Br)c(F)c1F ZINC000667181398 565574746 /nfs/dbraw/zinc/57/47/46/565574746.db2.gz BUYQWAPCOFDZSW-ZCFIWIBFSA-N 1 0 381.167 2.972 20 0 GFADRO O=C(NCC[NH2+]C1CC1)C(=O)Nc1cc(Cl)ccc1SCC(F)(F)F ZINC000667296678 565580026 /nfs/dbraw/zinc/58/00/26/565580026.db2.gz UOTBEZLFPFUXBY-UHFFFAOYSA-N 1 0 395.834 2.801 20 0 GFADRO [NH3+]C1CCC(NC(=O)C(=O)Nc2ccccc2SCC(F)(F)F)CC1 ZINC000667272944 565580058 /nfs/dbraw/zinc/58/00/58/565580058.db2.gz WVJRJIPFNFGAPS-UHFFFAOYSA-N 1 0 375.416 2.666 20 0 GFADRO O=C(NC[C@H]1CCCC[NH2+]1)C(=O)Nc1ccccc1SCC(F)(F)F ZINC000667264264 565580119 /nfs/dbraw/zinc/58/01/19/565580119.db2.gz HOFDJJPYBGKKMA-LLVKDONJSA-N 1 0 375.416 2.538 20 0 GFADRO O=C(NCC[C@H]1CC[NH2+]C1)Nc1cnn(-c2ccccc2Br)c1 ZINC000667276237 565580302 /nfs/dbraw/zinc/58/03/02/565580302.db2.gz XUOJEIVJPKDHFV-GFCCVEGCSA-N 1 0 378.274 2.756 20 0 GFADRO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)Nc1cc(OC)c(Br)c(OC)c1 ZINC000667324502 565581107 /nfs/dbraw/zinc/58/11/07/565581107.db2.gz ZKODXLYJPFATHU-ONGXEEELSA-N 1 0 390.253 2.630 20 0 GFADRO CC(C)[NH2+]CCCNC(=O)C(=O)Nc1ccc(-c2ccc(Cl)s2)nc1 ZINC000667302453 565581244 /nfs/dbraw/zinc/58/12/44/565581244.db2.gz GJYRBEGMFHHDOB-UHFFFAOYSA-N 1 0 380.901 2.906 20 0 GFADRO COCCOc1ccc(Br)cc1NC(=O)N1CCC(C)([NH3+])CC1 ZINC000667339077 565582336 /nfs/dbraw/zinc/58/23/36/565582336.db2.gz IQCNHZVCNNBUBW-UHFFFAOYSA-N 1 0 386.290 2.819 20 0 GFADRO O=C([C@@H]1CCNC1=O)N(CC[NH+]1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC000667430531 565586252 /nfs/dbraw/zinc/58/62/52/565586252.db2.gz QZKOPVOVHZMFFB-CQSZACIVSA-N 1 0 384.307 2.554 20 0 GFADRO CNC(=O)[C@]1(C(F)(F)F)CC[N@H+](CCC(=O)Nc2cccc(Cl)c2)C1 ZINC000646109625 565586532 /nfs/dbraw/zinc/58/65/32/565586532.db2.gz WPIKOLPKRPXNNP-HNNXBMFYSA-N 1 0 377.794 2.669 20 0 GFADRO C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)[C@H]2[NH2+]CC2(C)C)CC1 ZINC000646089766 565586766 /nfs/dbraw/zinc/58/67/66/565586766.db2.gz GKKSLTMTLZQPFY-CZUORRHYSA-N 1 0 380.330 2.652 20 0 GFADRO C[C@H](CCNC(=O)CCOc1ccccc1I)[NH+](C)C ZINC000597992759 565586894 /nfs/dbraw/zinc/58/68/94/565586894.db2.gz NAQVLVHGJWIZSI-GFCCVEGCSA-N 1 0 390.265 2.517 20 0 GFADRO Cc1c(Br)cncc1C[N@@H+](C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000667483747 565589274 /nfs/dbraw/zinc/58/92/74/565589274.db2.gz QBJPNTPABUFMDQ-GFCCVEGCSA-N 1 0 398.326 2.993 20 0 GFADRO Cc1c(F)c(Br)ccc1NC(=O)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000667504565 565591022 /nfs/dbraw/zinc/59/10/22/565591022.db2.gz XAWIOTTUIMADHN-GFCCVEGCSA-N 1 0 388.281 2.865 20 0 GFADRO O=C(N[C@H](CO)C[NH+]1CCCC1)c1ccccc1SCc1cscn1 ZINC000646224433 565591534 /nfs/dbraw/zinc/59/15/34/565591534.db2.gz UOWQHEGFYNYPDA-AWEZNQCLSA-N 1 0 377.535 2.622 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)N1CN(CC[NH+](C)C)C(=O)[C@H]1C ZINC000646227485 565591726 /nfs/dbraw/zinc/59/17/26/565591726.db2.gz YIABCFCUOZDGRM-CYBMUJFWSA-N 1 0 397.317 2.650 20 0 GFADRO O=C(Nc1cc(Cl)cc(C(F)(F)F)c1)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000667537276 565593253 /nfs/dbraw/zinc/59/32/53/565593253.db2.gz VNICBHLEZLRJGZ-TVQRCGJNSA-N 1 0 375.778 2.508 20 0 GFADRO CC[C@@H]1CN(C(=O)C(=O)Nc2cc(Cl)ccc2C(F)(F)F)CC[C@@H]1[NH3+] ZINC000667546818 565593597 /nfs/dbraw/zinc/59/35/97/565593597.db2.gz RXWQMPFZUWZKGQ-SKDRFNHKSA-N 1 0 377.794 2.883 20 0 GFADRO C[C@H]([NH3+])[C@H]1CN(C(=O)Nc2cc(F)c(Br)cc2Cl)CCO1 ZINC000667546828 565593683 /nfs/dbraw/zinc/59/36/83/565593683.db2.gz SKNMYGNDXMMHMN-JVXZTZIISA-N 1 0 380.645 2.822 20 0 GFADRO CC[C@@H]1CN(C(=O)C(=O)Nc2cc(C)c(Br)c(C)c2)CC[C@@H]1[NH3+] ZINC000667550147 565594664 /nfs/dbraw/zinc/59/46/64/565594664.db2.gz GQAZJFSFWIBNPF-OCCSQVGLSA-N 1 0 382.302 2.590 20 0 GFADRO CC[C@H]1CN(C(=O)C(=O)Nc2ccc(Cl)cc2Br)CC[C@H]1[NH3+] ZINC000667550663 565594728 /nfs/dbraw/zinc/59/47/28/565594728.db2.gz QPTDGIUBMKLNEJ-JOYOIKCWSA-N 1 0 388.693 2.627 20 0 GFADRO CC[C@@H]1CN(C(=O)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)CC[C@H]1[NH3+] ZINC000667551928 565594862 /nfs/dbraw/zinc/59/48/62/565594862.db2.gz CVKXEOURZFNHQU-BXKDBHETSA-N 1 0 377.794 2.883 20 0 GFADRO C[N@@H+]1CCCC[C@@H]1CN1CCN(Cc2c(F)cncc2Br)CC1 ZINC000667602692 565596435 /nfs/dbraw/zinc/59/64/35/565596435.db2.gz IGJIHXLVYRORRS-CQSZACIVSA-N 1 0 385.325 2.585 20 0 GFADRO Cc1cc(C)c(NC(=O)N2CN(CC[NH+](C)C)C(=O)[C@H]2C)cc1Br ZINC000646367250 565600255 /nfs/dbraw/zinc/60/02/55/565600255.db2.gz WYQRSORAQKMFQM-CYBMUJFWSA-N 1 0 397.317 2.650 20 0 GFADRO Cc1cc(NC(=O)N2CN(CC[NH+](C)C)C(=O)[C@@H]2C)cc(C)c1Br ZINC000646385639 565600829 /nfs/dbraw/zinc/60/08/29/565600829.db2.gz HIJQJTOVBRBGQB-ZDUSSCGKSA-N 1 0 397.317 2.650 20 0 GFADRO COCC[N@H+](C)CCCNC(=O)Nc1ccc(-c2ccc(Cl)s2)nn1 ZINC000667683734 565601318 /nfs/dbraw/zinc/60/13/18/565601318.db2.gz ZLAIPYIGYVKFMV-UHFFFAOYSA-N 1 0 383.905 2.948 20 0 GFADRO CN(CCn1cc(Br)cn1)C(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000667834610 565607719 /nfs/dbraw/zinc/60/77/19/565607719.db2.gz DRQYKJJSLQJDDM-UHFFFAOYSA-N 1 0 396.264 2.594 20 0 GFADRO [NH3+]CC[C@H](NC(=O)NC[C@@H]1CCN(c2ccc(Cl)cc2)C1)C(F)(F)F ZINC000667865417 565609483 /nfs/dbraw/zinc/60/94/83/565609483.db2.gz BUFISSOAPOWGFN-FZMZJTMJSA-N 1 0 378.826 2.745 20 0 GFADRO C[NH+](C)CCOCCNC(=O)Nc1ccc(Br)c2ncccc12 ZINC000667865920 565609586 /nfs/dbraw/zinc/60/95/86/565609586.db2.gz NDRCHOAQTCWJID-UHFFFAOYSA-N 1 0 381.274 2.697 20 0 GFADRO Cc1cc(Br)c(F)cc1S(=O)(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000625255384 565612554 /nfs/dbraw/zinc/61/25/54/565612554.db2.gz SYJFNVMEDXDNKV-LLVKDONJSA-N 1 0 379.295 2.611 20 0 GFADRO C[NH2+]C[C@H]1CCN(C(=O)[C@H](c2ccc(Br)cc2)N2CCCC2)C1 ZINC000646709142 565614739 /nfs/dbraw/zinc/61/47/39/565614739.db2.gz SBIYVKXYVIXHFH-PBHICJAKSA-N 1 0 380.330 2.654 20 0 GFADRO CC(C)[C@@H]1CN([C@@H]2CCc3cc(Br)ccc3NC2=O)CC[N@@H+]1C ZINC000625372630 565624271 /nfs/dbraw/zinc/62/42/71/565624271.db2.gz HSVIGDFQDRLXTB-SJORKVTESA-N 1 0 380.330 2.974 20 0 GFADRO CC[NH+](CC)[C@H]1CCN(C(=O)c2cc(Br)cc3[nH]c(=O)[nH]c32)C1 ZINC000646880575 565624489 /nfs/dbraw/zinc/62/44/89/565624489.db2.gz UOIITUKPYMYDSB-NSHDSACASA-N 1 0 381.274 2.587 20 0 GFADRO Cc1sc(Br)cc1S(=O)(=O)NC[C@@H]1CCCC[N@@H+](C)C1 ZINC000625420303 565628157 /nfs/dbraw/zinc/62/81/57/565628157.db2.gz DEFVBAAXPAQBCP-NSHDSACASA-N 1 0 381.361 2.829 20 0 GFADRO COCC[C@@H](Cc1cccc(Br)c1)C(=O)N1CCC(C)([NH3+])CC1 ZINC000646992491 565631497 /nfs/dbraw/zinc/63/14/97/565631497.db2.gz MHFPGKCTCFEBSQ-HNNXBMFYSA-N 1 0 383.330 2.984 20 0 GFADRO O=C(CC[C@@H]1CCC[NH2+]C1)Nc1nc2cc(I)ccc2[nH]1 ZINC000598668141 565633013 /nfs/dbraw/zinc/63/30/13/565633013.db2.gz KXVOKPXJFFMZMN-JTQLQIEISA-N 1 0 398.248 2.886 20 0 GFADRO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)COc1ccc(Br)cc1Cl ZINC000647033546 565633675 /nfs/dbraw/zinc/63/36/75/565633675.db2.gz JPIKSOAMTJOGOS-QWRGUYRKSA-N 1 0 379.657 2.640 20 0 GFADRO COc1cc[nH+]c(N2CCN(C(=O)c3cncc(Br)c3C)CC2)c1 ZINC000668284354 565637483 /nfs/dbraw/zinc/63/74/83/565637483.db2.gz KHVSZPLHXLWGAN-UHFFFAOYSA-N 1 0 391.269 2.519 20 0 GFADRO Brc1ccc2oc(CN3CCC([NH+]4CCOCC4)CC3)nc2c1 ZINC000625544805 565637789 /nfs/dbraw/zinc/63/77/89/565637789.db2.gz CORHGUYMROSAFB-UHFFFAOYSA-N 1 0 380.286 2.887 20 0 GFADRO C[C@H](CNC(=O)[C@@H]1CCO[C@H]1c1cncc(Br)c1)[NH+]1CCCC1 ZINC000668297130 565638400 /nfs/dbraw/zinc/63/84/00/565638400.db2.gz IJAXERFWFCWYSO-WQVCFCJDSA-N 1 0 382.302 2.522 20 0 GFADRO Cc1cc(Br)c(F)c(C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)c1 ZINC000625562973 565639045 /nfs/dbraw/zinc/63/90/45/565639045.db2.gz JAKBYDLYFZYNAV-CYBMUJFWSA-N 1 0 386.309 2.510 20 0 GFADRO C[C@@H](CNC(=O)c1ccc(OC(F)(F)F)c(Cl)c1)N1CC[NH+](C)CC1 ZINC000625570531 565640178 /nfs/dbraw/zinc/64/01/78/565640178.db2.gz NCDGWMREDAVVBJ-NSHDSACASA-N 1 0 379.810 2.604 20 0 GFADRO C[C@H](NS(=O)(=O)Cc1ccc(Br)cc1Cl)[C@H]1CCC[NH2+]C1 ZINC000647203993 565645457 /nfs/dbraw/zinc/64/54/57/565645457.db2.gz HYFPSAHXRGOVEH-QWRGUYRKSA-N 1 0 395.750 2.910 20 0 GFADRO OCCC[N@@H+]1CCC[C@H]1CNCc1cc(OC(F)F)ccc1Br ZINC000647213900 565645717 /nfs/dbraw/zinc/64/57/17/565645717.db2.gz DOIDESGCVNJFCP-ZDUSSCGKSA-N 1 0 393.272 2.987 20 0 GFADRO OCC[C@]1(C[NH2+]Cc2cc(OC(F)F)ccc2Br)CCOC1 ZINC000647192430 565645794 /nfs/dbraw/zinc/64/57/94/565645794.db2.gz FVPYAZPDHIHWIO-OAHLLOKOSA-N 1 0 380.229 2.929 20 0 GFADRO O=S(=O)(Cc1ccc(Cl)cc1Br)NC[C@H]1CCCC[NH2+]1 ZINC000647201992 565646275 /nfs/dbraw/zinc/64/62/75/565646275.db2.gz IWQRUFLVGCGHGW-GFCCVEGCSA-N 1 0 381.723 2.664 20 0 GFADRO Cc1c2cc(C(=O)N[C@@H](C)CN3CC[NH+](C)CC3)[nH]c2ccc1Br ZINC000668396152 565646315 /nfs/dbraw/zinc/64/63/15/565646315.db2.gz XHASXUZUQNNKRR-LBPRGKRZSA-N 1 0 393.329 2.605 20 0 GFADRO Cn1cnc(CCC[NH2+]Cc2cc(OC(F)F)ccc2Br)n1 ZINC000647231771 565646806 /nfs/dbraw/zinc/64/68/06/565646806.db2.gz OUMSICHSQMMNDQ-UHFFFAOYSA-N 1 0 375.217 2.901 20 0 GFADRO Cc1cc(Br)c(S(=O)(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)s1 ZINC000647237804 565648331 /nfs/dbraw/zinc/64/83/31/565648331.db2.gz WMVUCJGDGQUMBL-YPMHNXCESA-N 1 0 393.372 2.972 20 0 GFADRO Cc1c(Br)cccc1S(=O)(=O)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647238067 565648383 /nfs/dbraw/zinc/64/83/83/565648383.db2.gz DGRQSNOARNQXHN-DZGCQCFKSA-N 1 0 387.343 2.910 20 0 GFADRO Cc1cc(Br)cc(S(=O)(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000647238343 565648487 /nfs/dbraw/zinc/64/84/87/565648487.db2.gz KUTKNTAKYJMUOQ-CJNGLKHVSA-N 1 0 387.343 2.910 20 0 GFADRO COc1cc(Br)c(C[NH2+][C@H](CO)[C@@H]2CCC[C@H](OC)C2)cc1O ZINC000668476998 565648670 /nfs/dbraw/zinc/64/86/70/565648670.db2.gz RLKORRDBACIPQA-OSAQELSMSA-N 1 0 388.302 2.819 20 0 GFADRO C[N@@H+]1CCC[C@]2(CCN(C(=O)c3cnc4ncc(Br)cc4c3)C2)C1 ZINC000647250406 565649500 /nfs/dbraw/zinc/64/95/00/565649500.db2.gz JISNGAVTCUOQQI-SFHVURJKSA-N 1 0 389.297 2.950 20 0 GFADRO CO[C@]1(CO)CCC[N@H+](Cc2cnn(-c3ccc(Br)cc3)c2)C1 ZINC000668496821 565650607 /nfs/dbraw/zinc/65/06/07/565650607.db2.gz RYLCEMAOFKVCCY-QGZVFWFLSA-N 1 0 380.286 2.608 20 0 GFADRO O=S(=O)(Cc1cc(Cl)ccc1Br)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000647264775 565650913 /nfs/dbraw/zinc/65/09/13/565650913.db2.gz RVPHFFVFYHEANZ-HZMBPMFUSA-N 1 0 393.734 2.616 20 0 GFADRO CO[C@]1(CO)CCC[N@H+](Cc2cn(-c3ccc(Br)cc3)nc2C)C1 ZINC000668498247 565651299 /nfs/dbraw/zinc/65/12/99/565651299.db2.gz HXFJRAWKOBBOSO-GOSISDBHSA-N 1 0 394.313 2.917 20 0 GFADRO Cc1cc(C[NH2+]C[C@H](O)COc2ccc(I)cc2)ccn1 ZINC000598960232 565651441 /nfs/dbraw/zinc/65/14/41/565651441.db2.gz CMOJSNZWMSSZKX-HNNXBMFYSA-N 1 0 398.244 2.524 20 0 GFADRO COC(=O)COc1cccc(C[NH2+]Cc2cc(C)c(Br)cn2)c1 ZINC000598965144 565651759 /nfs/dbraw/zinc/65/17/59/565651759.db2.gz UULCGEZZJMMDTB-UHFFFAOYSA-N 1 0 379.254 2.994 20 0 GFADRO O[C@@H](C[NH2+]Cc1cc(Cl)ccc1I)[C@H]1CCCO1 ZINC000598991057 565652813 /nfs/dbraw/zinc/65/28/13/565652813.db2.gz TZHWZWMSYDKHBO-QWHCGFSZSA-N 1 0 381.641 2.574 20 0 GFADRO C[C@@H]1C[C@H](NS(=O)(=O)Cc2ccc(Br)cc2Cl)CC[NH2+]1 ZINC000647276777 565653101 /nfs/dbraw/zinc/65/31/01/565653101.db2.gz HTSNJSHCQYBPFI-BXKDBHETSA-N 1 0 381.723 2.662 20 0 GFADRO O=S(=O)(Cc1ccc(Cl)cc1Br)N[C@@H]1CCC[NH2+]CC1 ZINC000647285671 565654149 /nfs/dbraw/zinc/65/41/49/565654149.db2.gz MHLRSCRORSNGQW-GFCCVEGCSA-N 1 0 381.723 2.664 20 0 GFADRO O=S(=O)(N[C@@H]1CC12CC[NH2+]CC2)c1cc(Cl)ccc1OCC1CCC1 ZINC000647303017 565655200 /nfs/dbraw/zinc/65/52/00/565655200.db2.gz DZTDEKSKLJGJSE-QGZVFWFLSA-N 1 0 384.929 2.939 20 0 GFADRO O=C(CC[N@H+]1CC[C@@H](Sc2ccc(Br)cc2)C1)N1CCOCC1 ZINC000625703509 565655291 /nfs/dbraw/zinc/65/52/91/565655291.db2.gz INZTZBBCXNNUPT-MRXNPFEDSA-N 1 0 399.354 2.864 20 0 GFADRO O=S(=O)(Cc1ccc(Br)cc1Cl)N[C@H]1CC12CC[NH2+]CC2 ZINC000647303847 565655488 /nfs/dbraw/zinc/65/54/88/565655488.db2.gz NNXRAKNXUFOGDG-ZDUSSCGKSA-N 1 0 393.734 2.664 20 0 GFADRO [NH3+]C1C[C@H]2CC[C@@H](C1)C2NS(=O)(=O)c1cccc(Cl)c1Br ZINC000647314608 565656225 /nfs/dbraw/zinc/65/62/25/565656225.db2.gz WCZJAHDXQBIPLK-HZNSRWLBSA-N 1 0 393.734 2.897 20 0 GFADRO C[C@@H]1CN(c2nc(C(F)(F)F)ccc2I)C[C@H](C)[NH2+]1 ZINC000599110267 565656532 /nfs/dbraw/zinc/65/65/32/565656532.db2.gz NTGOBUHKNQAXKQ-OCAPTIKFSA-N 1 0 385.171 2.892 20 0 GFADRO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+][C@@H](CCO)c1ccccc1F ZINC000647344918 565657958 /nfs/dbraw/zinc/65/79/58/565657958.db2.gz BJWOAZBZZIJTHG-LRDDRELGSA-N 1 0 383.261 2.852 20 0 GFADRO O=S(=O)(Cc1ccc(Br)cc1Cl)N[C@@H]1CCCC[NH2+]C1 ZINC000647324364 565658298 /nfs/dbraw/zinc/65/82/98/565658298.db2.gz URJNKFTYYNUINF-GFCCVEGCSA-N 1 0 381.723 2.664 20 0 GFADRO OC[C@@]1([NH2+]C[C@H](O)Cc2ccccc2)CCc2cc(Br)ccc2C1 ZINC000625797368 565660452 /nfs/dbraw/zinc/66/04/52/565660452.db2.gz UWMAGVLUJDFIFZ-WOJBJXKFSA-N 1 0 390.321 2.862 20 0 GFADRO O=C(C[NH2+][C@]1(CO)CCc2cc(Br)ccc2C1)NC1CCCCC1 ZINC000625795423 565660570 /nfs/dbraw/zinc/66/05/70/565660570.db2.gz VLWNEPSYNNZGJK-LJQANCHMSA-N 1 0 395.341 2.707 20 0 GFADRO OC[C@@]1([NH2+]CCO[C@@H]2CC2(F)F)CCc2cc(Br)ccc2C1 ZINC000625796024 565660625 /nfs/dbraw/zinc/66/06/25/565660625.db2.gz CVOVNXQIYXXNPE-HUUCEWRRSA-N 1 0 376.241 2.683 20 0 GFADRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)Nc1cc(Br)cnc1OCC(F)(F)F ZINC000625861384 565663563 /nfs/dbraw/zinc/66/35/63/565663563.db2.gz PMKQPAYZRVIGJT-IONNQARKSA-N 1 0 397.195 2.657 20 0 GFADRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)Nc1cc(Br)cc(C(=O)N2CCCC2)c1 ZINC000625884029 565664628 /nfs/dbraw/zinc/66/46/28/565664628.db2.gz AKZBAMMMWMREBF-XHDPSFHLSA-N 1 0 395.301 2.557 20 0 GFADRO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N1CC[C@@H]1c1ccc(Br)cc1 ZINC000668776994 565665798 /nfs/dbraw/zinc/66/57/98/565665798.db2.gz LFNBPIOSDOVFQC-CZUORRHYSA-N 1 0 396.329 2.569 20 0 GFADRO C[NH2+]Cc1ccccc1NC(=O)NCc1cc(Br)cnc1OC ZINC000625895547 565666017 /nfs/dbraw/zinc/66/60/17/565666017.db2.gz RHSWKWDDXPMBEL-UHFFFAOYSA-N 1 0 379.258 2.894 20 0 GFADRO C[NH+]1CCC(O)(CNC(=O)c2cc(-c3ccc(Cl)cc3Cl)on2)CC1 ZINC000625934079 565666643 /nfs/dbraw/zinc/66/66/43/565666643.db2.gz ZOEUFSDIUNOCBJ-UHFFFAOYSA-N 1 0 384.263 2.835 20 0 GFADRO CC1CC[NH+](C[C@H](O)CNC(=O)[C@@H]2C[C@@H]2c2cccc(Br)c2)CC1 ZINC000599275583 565666978 /nfs/dbraw/zinc/66/69/78/565666978.db2.gz IGSIIBHPZAWAIV-KZNAEPCWSA-N 1 0 395.341 2.762 20 0 GFADRO C[C@@H]1CN(C(=O)C[NH2+][C@H](CN(C)C)c2ccc(Cl)c(Cl)c2)C[C@H](C)O1 ZINC000625983505 565668213 /nfs/dbraw/zinc/66/82/13/565668213.db2.gz RUJXJGXTOIAOMS-IIYDPXPESA-N 1 0 388.339 2.822 20 0 GFADRO CS(=O)(=O)N1CCC[C@H](C[N@@H+]2CCc3cc(C(F)(F)F)ccc3C2)C1 ZINC000626007710 565669596 /nfs/dbraw/zinc/66/95/96/565669596.db2.gz QWFHLEYAFCJDKG-CYBMUJFWSA-N 1 0 376.444 2.735 20 0 GFADRO O=C(CCN1CC[NH+](CCCF)CC1)Nc1ccc(Br)cc1F ZINC000626072410 565673810 /nfs/dbraw/zinc/67/38/10/565673810.db2.gz VYTICRYAEHOKPG-UHFFFAOYSA-N 1 0 390.272 2.894 20 0 GFADRO C[C@H]1COCC[N@@H+]1C1CCN(C(=O)c2c(F)cccc2Br)CC1 ZINC000647762798 565674537 /nfs/dbraw/zinc/67/45/37/565674537.db2.gz VCGCVULBXREUPF-LBPRGKRZSA-N 1 0 385.277 2.914 20 0 GFADRO O=c1n2ccccc2nn1CC[NH2+][C@@H](CCO)c1cc(Cl)cc(Cl)c1 ZINC000626100369 565675306 /nfs/dbraw/zinc/67/53/06/565675306.db2.gz MBGCPYBFAQWHTN-HNNXBMFYSA-N 1 0 381.263 2.516 20 0 GFADRO C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)c1cnn(-c2cccc(Br)c2)c1 ZINC000647833643 565680018 /nfs/dbraw/zinc/68/00/18/565680018.db2.gz QJJXKIIHVGZQEK-BLLLJJGKSA-N 1 0 377.286 2.799 20 0 GFADRO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1cnn(-c2cccc(Br)c2)c1 ZINC000647833646 565680053 /nfs/dbraw/zinc/68/00/53/565680053.db2.gz QJJXKIIHVGZQEK-WBMJQRKESA-N 1 0 377.286 2.799 20 0 GFADRO C[C@H]([NH3+])[C@H]1CN(CC(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)CCO1 ZINC000647863497 565680604 /nfs/dbraw/zinc/68/06/04/565680604.db2.gz CRUWGQGBKIMQRT-JCURWCKSSA-N 1 0 386.323 2.705 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CN(C(=O)C2(c3ccc(Br)cc3)CCCC2)CCO1 ZINC000647875693 565681300 /nfs/dbraw/zinc/68/13/00/565681300.db2.gz HWZNFAIHQNEDSS-CJNGLKHVSA-N 1 0 381.314 2.836 20 0 GFADRO O=C(NCC[NH2+]C1CC1)NCC1(c2ccc(Br)cc2)CCOCC1 ZINC000669443524 565689024 /nfs/dbraw/zinc/68/90/24/565689024.db2.gz RIVNNEUVFFZAGN-UHFFFAOYSA-N 1 0 396.329 2.549 20 0 GFADRO C[C@H](CNC(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1)Oc1cccc(Br)c1 ZINC000669505936 565691116 /nfs/dbraw/zinc/69/11/16/565691116.db2.gz WMEAFOJJUKEPAP-WWGRRREGSA-N 1 0 382.302 2.610 20 0 GFADRO C[C@H](NC(=O)NCC[NH2+]C1CC1)c1nc(-c2ccc(Br)cc2)no1 ZINC000669532670 565691677 /nfs/dbraw/zinc/69/16/77/565691677.db2.gz JLEZMJVKBAMWTF-JTQLQIEISA-N 1 0 394.273 2.611 20 0 GFADRO COC(=O)c1cccc(NC(=O)N2CC[NH2+]C[C@@H]2C(C)C)c1Br ZINC000599607439 565692397 /nfs/dbraw/zinc/69/23/97/565692397.db2.gz YAHRAZOLHJLWJY-CYBMUJFWSA-N 1 0 384.274 2.697 20 0 GFADRO O=C(N[C@@H]1CC[NH2+]C2(CCC2)C1)c1cc(Br)c2c(c1)OCCO2 ZINC000648184167 565693211 /nfs/dbraw/zinc/69/32/11/565693211.db2.gz XELKFRWNKGKWNI-GFCCVEGCSA-N 1 0 381.270 2.625 20 0 GFADRO COC(=O)c1cc(NC(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)ccc1Br ZINC000599614916 565693339 /nfs/dbraw/zinc/69/33/39/565693339.db2.gz WJQXZVNTEWIBFD-CALCHBBNSA-N 1 0 396.285 2.699 20 0 GFADRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)Nc1cccc(F)c1I ZINC000599609858 565693831 /nfs/dbraw/zinc/69/38/31/565693831.db2.gz CDMIJMWTUWKUIH-VHSXEESVSA-N 1 0 377.201 2.692 20 0 GFADRO C[C@H]([NH3+])[C@H]1CN(C(=O)NCC2(c3ccccc3Br)CCC2)CCO1 ZINC000669590246 565694641 /nfs/dbraw/zinc/69/46/41/565694641.db2.gz NXCQDBGWPYEMIE-XJKSGUPXSA-N 1 0 396.329 2.628 20 0 GFADRO COC1CC[NH+](CCNC(=O)c2c(C)c(C)sc2Br)CC1 ZINC000669609436 565695405 /nfs/dbraw/zinc/69/54/05/565695405.db2.gz UULHWEVMJKIKHD-UHFFFAOYSA-N 1 0 375.332 2.968 20 0 GFADRO CS(=O)(=O)NC[C@@H]1CCC[C@H]1[NH2+]Cc1c(Cl)cccc1OC(F)F ZINC000669686540 565698980 /nfs/dbraw/zinc/69/89/80/565698980.db2.gz NAOKWTUZMQSFFO-GXFFZTMASA-N 1 0 382.860 2.749 20 0 GFADRO COc1c(Br)ccc(F)c1C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000648269870 565699388 /nfs/dbraw/zinc/69/93/88/565699388.db2.gz JLTIUIVDBWIHHA-UHFFFAOYSA-N 1 0 385.237 2.607 20 0 GFADRO CN(C(=O)c1c2ccc(Br)cc2nn1C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000648284843 565700854 /nfs/dbraw/zinc/70/08/54/565700854.db2.gz PPGKAZCYWXROFC-CYBMUJFWSA-N 1 0 377.286 2.645 20 0 GFADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[N@H+](C)C1CCOCC1 ZINC000648361030 565707090 /nfs/dbraw/zinc/70/70/90/565707090.db2.gz DRRHEVUZVHLGCQ-GFCCVEGCSA-N 1 0 385.302 2.573 20 0 GFADRO CC(C)(CO)[NH+]1CCN(Cc2ccnc3c(Br)cccc23)CC1 ZINC000648374742 565707628 /nfs/dbraw/zinc/70/76/28/565707628.db2.gz QWKXVWLSCRPCAU-UHFFFAOYSA-N 1 0 378.314 2.886 20 0 GFADRO CCN(C(=O)c1ccc(F)cc1I)C1CC[NH+](C)CC1 ZINC000599985797 565709287 /nfs/dbraw/zinc/70/92/87/565709287.db2.gz IWJXMCZUWQIQBS-UHFFFAOYSA-N 1 0 390.240 2.987 20 0 GFADRO CC[C@H]1C[N@H+](CC)CCN1C(=O)c1c2ccc(Br)cc2nn1C ZINC000648411040 565711845 /nfs/dbraw/zinc/71/18/45/565711845.db2.gz SMTKFVSJOFGLKH-ZDUSSCGKSA-N 1 0 379.302 2.892 20 0 GFADRO [NH3+][C@H]1CCC[C@H](NC(=O)C(=O)Nc2cc(Cl)c(Br)cc2F)C1 ZINC000626835783 565711938 /nfs/dbraw/zinc/71/19/38/565711938.db2.gz HDWPZHIMGBTKSA-YUMQZZPRSA-N 1 0 392.656 2.566 20 0 GFADRO [NH3+][C@@H]1CCC[C@H](NC(=O)C(=O)Nc2cc(Cl)c(Br)cc2F)C1 ZINC000626835782 565711997 /nfs/dbraw/zinc/71/19/97/565711997.db2.gz HDWPZHIMGBTKSA-SFYZADRCSA-N 1 0 392.656 2.566 20 0 GFADRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)Nc1ccc(Br)cc1C(C)C ZINC000626863156 565713893 /nfs/dbraw/zinc/71/38/93/565713893.db2.gz CVMWDYXYVVOSOI-DZGCQCFKSA-N 1 0 382.302 2.768 20 0 GFADRO Cc1cc(Br)c(C[NH2+]CC(C)(C)NS(C)(=O)=O)cc1Cl ZINC000648445405 565714455 /nfs/dbraw/zinc/71/44/55/565714455.db2.gz CHRSZSNTFDPLRQ-UHFFFAOYSA-N 1 0 383.739 2.828 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)NCCOc2ccc(Cl)cc2)CC[C@@H]1C(F)(F)F ZINC000626924050 565714895 /nfs/dbraw/zinc/71/48/95/565714895.db2.gz DUVLFZPUVMHTNE-FZMZJTMJSA-N 1 0 379.810 2.888 20 0 GFADRO C[C@@H](NC(=O)N[C@H]1CC[C@@H](C)[NH2+]C1)c1cc2c(cc1Br)OCCO2 ZINC000626943381 565716052 /nfs/dbraw/zinc/71/60/52/565716052.db2.gz CYLQFHKREBWWNK-UTUOFQBUSA-N 1 0 398.301 2.721 20 0 GFADRO [NH3+]CCCOCCNC(=O)N[C@@H](c1ccc(Br)cc1)C1CCC1 ZINC000626945754 565716279 /nfs/dbraw/zinc/71/62/79/565716279.db2.gz YBMOPCHDMRGNJG-MRXNPFEDSA-N 1 0 384.318 2.955 20 0 GFADRO CC(C)c1nc(CCNC(=O)N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)cs1 ZINC000626967347 565716698 /nfs/dbraw/zinc/71/66/98/565716698.db2.gz XAQDPGGNYYHHNB-YPMHNXCESA-N 1 0 378.464 2.978 20 0 GFADRO C[C@H](CNC(=O)N[C@@H]1CC[NH2+]C12CCC2)Oc1cccc(Br)c1 ZINC000626990465 565718252 /nfs/dbraw/zinc/71/82/52/565718252.db2.gz YFWLEYXIKMKDRO-IUODEOHRSA-N 1 0 382.302 2.800 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)NCCOc2ccccc2Cl)CC[C@@H]1C(F)(F)F ZINC000627004683 565719186 /nfs/dbraw/zinc/71/91/86/565719186.db2.gz QIKIQGZVWBMJHB-NEPJUHHUSA-N 1 0 379.810 2.888 20 0 GFADRO CC[C@H](NC(=O)NCCOCCC[NH3+])c1cc(F)cc(Br)c1 ZINC000627016487 565719701 /nfs/dbraw/zinc/71/97/01/565719701.db2.gz PCGXNXOCVBZQGP-AWEZNQCLSA-N 1 0 376.270 2.704 20 0 GFADRO CC[C@H](NC(=O)NC1(C[NH3+])CCOCC1)c1cc(F)cc(Br)c1 ZINC000627016611 565719812 /nfs/dbraw/zinc/71/98/12/565719812.db2.gz QLHRQYVIMNBGRA-AWEZNQCLSA-N 1 0 388.281 2.846 20 0 GFADRO C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)N[C@H](c1cncc(Br)c1)C1CC1)C2 ZINC000627032797 565720546 /nfs/dbraw/zinc/72/05/46/565720546.db2.gz XXHNJVJABWMGCR-RYQLBKOJSA-N 1 0 393.329 2.936 20 0 GFADRO O=C(CCNC(=O)N[C@H]1CC[NH2+]C12CCC2)Nc1cc(Cl)cc(Cl)c1 ZINC000627046431 565720900 /nfs/dbraw/zinc/72/09/00/565720900.db2.gz RGFBLSKMSRNXNG-AWEZNQCLSA-N 1 0 385.295 2.906 20 0 GFADRO COC[C@@]1(CNC(=O)NCC/C=C\c2ccc(Br)cc2)CCC[NH2+]1 ZINC000627092030 565721944 /nfs/dbraw/zinc/72/19/44/565721944.db2.gz IMDUBDOOAQJOAK-XBNAYTBKSA-N 1 0 396.329 2.920 20 0 GFADRO O=C(NC[C@@H]1C[N@@H+]2CCN1CCC2)C1(c2ccc(Cl)c(Cl)c2)CCC1 ZINC000670406879 565722090 /nfs/dbraw/zinc/72/20/90/565722090.db2.gz FXNGLNAXZYMPRP-OAHLLOKOSA-N 1 0 382.335 2.921 20 0 GFADRO O=C(N[C@H]1CC12CC[NH2+]CC2)N1CCc2cc(F)cc(Br)c2C1 ZINC000627119785 565722810 /nfs/dbraw/zinc/72/28/10/565722810.db2.gz VAJLYKAFEMFCHQ-HNNXBMFYSA-N 1 0 382.277 2.798 20 0 GFADRO C[C@H](CC(=O)NC[C@H](Cc1ccccc1)[NH+](C)C)n1cc(Br)cn1 ZINC000648719141 565723423 /nfs/dbraw/zinc/72/34/23/565723423.db2.gz ZPPSZGCPSKKOQM-PBHICJAKSA-N 1 0 393.329 2.886 20 0 GFADRO [NH3+]C1(CNC(=O)N2CCC[C@@H]2c2cccc(Br)c2)CCOCC1 ZINC000627155043 565723607 /nfs/dbraw/zinc/72/36/07/565723607.db2.gz SUFIUCAWZWXUDK-OAHLLOKOSA-N 1 0 382.302 2.804 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1c2ccc(Br)cc2nn1C ZINC000648735212 565724282 /nfs/dbraw/zinc/72/42/82/565724282.db2.gz FXLVGIWXTCFRMH-GFCCVEGCSA-N 1 0 379.302 2.940 20 0 GFADRO C[C@@H]1[C@H](C(=O)NC2(c3cccc(Br)c3)CCOCC2)CC[N@@H+]1C ZINC000648753735 565725966 /nfs/dbraw/zinc/72/59/66/565725966.db2.gz GLXUFYRARWDVEQ-CZUORRHYSA-N 1 0 381.314 2.911 20 0 GFADRO COCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCc3cc(Br)ccc32)C1 ZINC000648773266 565728388 /nfs/dbraw/zinc/72/83/88/565728388.db2.gz ABQDOCJFRZZZFQ-DOTOQJQBSA-N 1 0 381.314 2.706 20 0 GFADRO C[C@H](CC(=O)N1CCC(C[NH+]2CCCC2)CC1)n1cc(Br)cn1 ZINC000648781891 565728727 /nfs/dbraw/zinc/72/87/27/565728727.db2.gz CEQOVBYZCCWCGF-CQSZACIVSA-N 1 0 383.334 2.931 20 0 GFADRO CCc1nn(C)cc1C[NH2+]C[C@H](CO)Cc1cc(Br)ccc1F ZINC000648787345 565729355 /nfs/dbraw/zinc/72/93/55/565729355.db2.gz BIYXARRAIYDKFM-GFCCVEGCSA-N 1 0 384.293 2.825 20 0 GFADRO O=C(c1cccc2cccc(Br)c21)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000627268012 565729416 /nfs/dbraw/zinc/72/94/16/565729416.db2.gz VXNATTLOMGPIDE-LSDHHAIUSA-N 1 0 389.293 2.883 20 0 GFADRO O=C(c1cnc(-c2cccc(Cl)c2)s1)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000627269972 565730058 /nfs/dbraw/zinc/73/00/58/565730058.db2.gz ANJQILLFWREXBA-LSDHHAIUSA-N 1 0 377.897 2.745 20 0 GFADRO CCc1nn(C)cc1C[NH2+]C[C@@H](CO)Cc1ccc(F)c(Br)c1 ZINC000648815234 565731854 /nfs/dbraw/zinc/73/18/54/565731854.db2.gz QULRDKOMNRZKCG-ZDUSSCGKSA-N 1 0 384.293 2.825 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)c2c3ccc(Br)cc3nn2C)C[N@@H+]1C1CC1 ZINC000648818729 565731930 /nfs/dbraw/zinc/73/19/30/565731930.db2.gz IBKYZYUWPLWRMT-ZYHUDNBSSA-N 1 0 377.286 2.691 20 0 GFADRO C[C@H](NC(=O)C(=O)N[C@@H]1CCC[N@H+](C)C1)c1cc(F)c(Cl)cc1Cl ZINC000670621836 565735005 /nfs/dbraw/zinc/73/50/05/565735005.db2.gz LZKFOAJAMKORHO-VHSXEESVSA-N 1 0 376.259 2.520 20 0 GFADRO C[C@H](CNC(=O)C(=O)N[C@H]1CC[NH2+]C12CCC2)c1c(Cl)cccc1Cl ZINC000627365896 565735422 /nfs/dbraw/zinc/73/54/22/565735422.db2.gz BIPPNKHCNNRDSM-RISCZKNCSA-N 1 0 384.307 2.614 20 0 GFADRO CC(C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000627482437 565737536 /nfs/dbraw/zinc/73/75/36/565737536.db2.gz QJCVWZYQPWZXNN-JSGCOSHPSA-N 1 0 386.323 2.987 20 0 GFADRO C[C@@H]1CN(C(=O)c2cc3c(cncc3Br)s2)C[C@H](C)N1CCO ZINC000648922041 565739824 /nfs/dbraw/zinc/73/98/24/565739824.db2.gz ZORITMAMASCXSY-PHIMTYICSA-N 1 0 398.326 2.586 20 0 GFADRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)c1[nH]c2ccc(Cl)cc2c1Cl ZINC000649078656 565746058 /nfs/dbraw/zinc/74/60/58/565746058.db2.gz NPXQVSUBJNMNLT-JTQLQIEISA-N 1 0 383.279 2.667 20 0 GFADRO CSc1cc(C(=O)N2CN(CC[NH+](C)C)C(=O)[C@H]2C)c(Cl)cc1Cl ZINC000649075217 565746225 /nfs/dbraw/zinc/74/62/25/565746225.db2.gz YTUMOZZHCQKBPN-SNVBAGLBSA-N 1 0 390.336 2.907 20 0 GFADRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)C1(c2c(Cl)cccc2Cl)CC1 ZINC000649074582 565746381 /nfs/dbraw/zinc/74/63/81/565746381.db2.gz LYILRMJMMBTRPG-LBPRGKRZSA-N 1 0 384.307 2.603 20 0 GFADRO COC1CC[NH+](CCNC(=O)[C@@H]2C[C@H]2c2ccc(Br)cc2)CC1 ZINC000649088876 565747509 /nfs/dbraw/zinc/74/75/09/565747509.db2.gz PWOZHGRDIXFHPT-DLBZAZTESA-N 1 0 381.314 2.780 20 0 GFADRO CC[NH+]1CCN(CCC(=O)Nc2cnc(-c3ccc(Cl)s3)nc2)CC1 ZINC000649124642 565749513 /nfs/dbraw/zinc/74/95/13/565749513.db2.gz LLMXWANJCUTKIR-UHFFFAOYSA-N 1 0 379.917 2.825 20 0 GFADRO O=C(Cc1cccc(Br)c1)N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000627739634 565749881 /nfs/dbraw/zinc/74/98/81/565749881.db2.gz KNQRDCXPLRCGBY-UHFFFAOYSA-N 1 0 381.314 2.705 20 0 GFADRO C[NH+]1CCC2(CC1)CN(C(=O)CCc1cc(Br)cs1)CCO2 ZINC000649132868 565750292 /nfs/dbraw/zinc/75/02/92/565750292.db2.gz RVRUVVBHUQBMSA-UHFFFAOYSA-N 1 0 387.343 2.766 20 0 GFADRO CC[C@H](Cn1cncn1)[NH2+]C[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000671116937 565753117 /nfs/dbraw/zinc/75/31/17/565753117.db2.gz XVOKEKWNAKQZTQ-GDBMZVCRSA-N 1 0 378.318 2.935 20 0 GFADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@@](C)(CO)Cc1ccccc1 ZINC000671121963 565753155 /nfs/dbraw/zinc/75/31/55/565753155.db2.gz JYCUBHHZHMZAID-BEFAXECRSA-N 1 0 393.325 2.830 20 0 GFADRO COc1cc(Br)c(NC(=O)C2([NH3+])Cc3ccccc3C2)cc1OC ZINC000649266365 565756845 /nfs/dbraw/zinc/75/68/45/565756845.db2.gz IKNAZKQTIFHNPV-UHFFFAOYSA-N 1 0 391.265 2.901 20 0 GFADRO O=c1cc(C[N@H+]2CCCCC[C@@H]2CCO)nc2ccc(Br)cn12 ZINC000671248531 565759905 /nfs/dbraw/zinc/75/99/05/565759905.db2.gz ZGRLDSFOYUXPOE-OAHLLOKOSA-N 1 0 380.286 2.584 20 0 GFADRO O=C(NC[C@@H]1CC[N@@H+]1C1CCCC1)C(=O)Nc1cccc(Br)c1F ZINC000627908428 565761928 /nfs/dbraw/zinc/76/19/28/565761928.db2.gz XNTPMZWDPBWKGD-LBPRGKRZSA-N 1 0 398.276 2.660 20 0 GFADRO O[C@H]1CCC[C@H]1[NH+]1CCN(Cc2cc(Br)cc(F)c2F)CC1 ZINC000649507834 565762441 /nfs/dbraw/zinc/76/24/41/565762441.db2.gz CVJIBXKVLDBTCH-CABCVRRESA-N 1 0 375.257 2.758 20 0 GFADRO COc1ccc(Br)c(C(=O)NCCC[NH2+]Cc2cnc(C)o2)c1 ZINC000628211809 565780566 /nfs/dbraw/zinc/78/05/66/565780566.db2.gz SNTUDJMEUBACRP-UHFFFAOYSA-N 1 0 382.258 2.664 20 0 GFADRO COCC[N@@H+]1CCN(Cc2nnc(-c3ccc(Br)o3)o2)C(C)(C)C1 ZINC000649848437 565782376 /nfs/dbraw/zinc/78/23/76/565782376.db2.gz QGMXURBDYHZNFF-UHFFFAOYSA-N 1 0 399.289 2.635 20 0 GFADRO COCC[N@@H+]1CCC[C@@H](NC(=O)c2cc(Br)c(C)cc2OC)C1 ZINC000671704427 565782628 /nfs/dbraw/zinc/78/26/28/565782628.db2.gz MTAGPLUTRDLWCO-CYBMUJFWSA-N 1 0 385.302 2.607 20 0 GFADRO C[C@H](NC(=O)CCCS(=O)(=O)c1ccc(Cl)cc1)C1CC[NH+](C)CC1 ZINC000671723330 565783518 /nfs/dbraw/zinc/78/35/18/565783518.db2.gz NAGGWIGLEAMBMK-AWEZNQCLSA-N 1 0 386.945 2.740 20 0 GFADRO O=c1cc(C[N@H+]2CCC[C@@H]2[C@@H]2CCC[C@H]2O)nc2ccc(Br)cn12 ZINC000649927486 565786867 /nfs/dbraw/zinc/78/68/67/565786867.db2.gz HWAWXZXPXPFWIK-ARFHVFGLSA-N 1 0 392.297 2.582 20 0 GFADRO CCC1([NH+]2CCCC2)CCN(S(=O)(=O)c2csc(C(=O)OC)c2)CC1 ZINC000601496466 565787217 /nfs/dbraw/zinc/78/72/17/565787217.db2.gz FVXVUIOVNIXBDD-UHFFFAOYSA-N 1 0 386.539 2.564 20 0 GFADRO Cn1ncc2c1nc(CN1CC[C@H](c3cccc(Br)c3)C1)[nH]c2=O ZINC000650009835 565792327 /nfs/dbraw/zinc/79/23/27/565792327.db2.gz CZBOIJRRINJXLE-LBPRGKRZSA-N 1 0 388.269 2.821 20 0 GFADRO C[C@@H]1C[N@H+](C)[C@H](C)[C@H](C)N1C(=O)CSc1nnc(-c2cccs2)n1C ZINC000650150585 565800095 /nfs/dbraw/zinc/80/00/95/565800095.db2.gz XJWMWQWGWPTAAI-UPJWGTAASA-N 1 0 379.555 2.575 20 0 GFADRO Cc1cc(C[NH2+]C[C@@H](O)C[C@](C)(O)C2CC2)ccc1I ZINC000601965607 565810523 /nfs/dbraw/zinc/81/05/23/565810523.db2.gz PNICKMFQFCZMOA-HOCLYGCPSA-N 1 0 389.277 2.601 20 0 GFADRO CCOC(=O)c1cc(C[NH2+]CCC(=O)Nc2ccc(Br)cc2)on1 ZINC000601968841 565810602 /nfs/dbraw/zinc/81/06/02/565810602.db2.gz NZFHQENPTANVGK-UHFFFAOYSA-N 1 0 396.241 2.732 20 0 GFADRO O=C1N[C@H](CCF)C(=O)N1C1CCN(Cc2cccc(Br)c2)CC1 ZINC000650276263 565811825 /nfs/dbraw/zinc/81/18/25/565811825.db2.gz PZUOMDXHMSDJPN-OAHLLOKOSA-N 1 0 398.276 2.694 20 0 GFADRO COC(=O)c1ccc(C[NH2+]Cc2cc(Br)c3c(c2)OCCO3)n1C ZINC000602005893 565814521 /nfs/dbraw/zinc/81/45/21/565814521.db2.gz HVQHJENGUOYEPD-UHFFFAOYSA-N 1 0 395.253 2.635 20 0 GFADRO Cc1cc(C[NH2+][C@@H]2CCCS(=O)(=O)CC2)ccc1I ZINC000602017736 565815649 /nfs/dbraw/zinc/81/56/49/565815649.db2.gz UEWJNBAKKOUKNJ-CYBMUJFWSA-N 1 0 393.290 2.657 20 0 GFADRO CC[NH+](CC)[C@@H]1CCN(C(=O)c2cnc3ncc(Br)cc3c2)C1 ZINC000672805064 565817937 /nfs/dbraw/zinc/81/79/37/565817937.db2.gz FJRWUBVVABCJIJ-OAHLLOKOSA-N 1 0 377.286 2.949 20 0 GFADRO COC(=O)C[C@@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)c1ccc(Br)cc1 ZINC000602039476 565818344 /nfs/dbraw/zinc/81/83/44/565818344.db2.gz DBJCATSNHBSMEO-SWLSCSKDSA-N 1 0 383.286 2.511 20 0 GFADRO O=C(N[C@H]1C[C@@H]([NH+]2CCCC2)C1)c1cccc(F)c1I ZINC000602167255 565827926 /nfs/dbraw/zinc/82/79/26/565827926.db2.gz LSWYPRMDAIJZRN-PHIMTYICSA-N 1 0 388.224 2.787 20 0 GFADRO C[C@@H]1C[C@@H](c2ccc(Br)cc2)CN1C(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000629248436 565832061 /nfs/dbraw/zinc/83/20/61/565832061.db2.gz VAHNBIBEVKFRSV-KYJSFNMBSA-N 1 0 392.341 2.543 20 0 GFADRO COCC[N@H+](C)CCNC(=O)NC1(c2ccccc2Br)CCC1 ZINC000650824682 565836426 /nfs/dbraw/zinc/83/64/26/565836426.db2.gz ZEDMENUVJXEZBE-UHFFFAOYSA-N 1 0 384.318 2.706 20 0 GFADRO CC[C@H](Cc1ccccc1Br)C(=O)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000673513083 565838700 /nfs/dbraw/zinc/83/87/00/565838700.db2.gz OYTFQBLSHLQRSI-PVAVHDDUSA-N 1 0 395.341 2.685 20 0 GFADRO Cc1cc(Br)ccc1SCC(=O)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000673515304 565839111 /nfs/dbraw/zinc/83/91/11/565839111.db2.gz QUQBSGIGMZOAAH-LSDHHAIUSA-N 1 0 399.354 2.517 20 0 GFADRO O=S1(=O)CC(CC[NH2+]Cc2cc(Br)cc(Br)c2)C1 ZINC000673607369 565843155 /nfs/dbraw/zinc/84/31/55/565843155.db2.gz SRDQDSIKWCBTSB-UHFFFAOYSA-N 1 0 397.132 2.736 20 0 GFADRO O=C(CCn1cc(Br)cn1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000673806236 565847061 /nfs/dbraw/zinc/84/70/61/565847061.db2.gz AJRZYCVIKOHRMT-UHFFFAOYSA-N 1 0 383.334 2.949 20 0 GFADRO CN(Cc1ccc(Br)cc1)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000673810416 565847067 /nfs/dbraw/zinc/84/70/67/565847067.db2.gz ZAEDFBBTGSHIHM-UHFFFAOYSA-N 1 0 380.290 2.871 20 0 GFADRO C[S@](=O)C1(C(=O)Nc2nc(-c3cccc(Cl)c3)cs2)CC[NH2+]CC1 ZINC000602440121 565849071 /nfs/dbraw/zinc/84/90/71/565849071.db2.gz NWJDNMOXEFMTOF-DEOSSOPVSA-N 1 0 383.926 2.903 20 0 GFADRO COC(=O)c1csc(C[NH2+][C@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)c1 ZINC000602522723 565852861 /nfs/dbraw/zinc/85/28/61/565852861.db2.gz WXPSXLTUMUDVGG-GFCCVEGCSA-N 1 0 382.507 2.636 20 0 GFADRO CS(=O)(=O)[C@H]1CCC[C@H]([NH2+]Cc2ccc(I)s2)C1 ZINC000602557154 565854716 /nfs/dbraw/zinc/85/47/16/565854716.db2.gz MWPIZZFIFBCZSG-ONGXEEELSA-N 1 0 399.319 2.798 20 0 GFADRO C[C@@H]([NH2+]Cc1ccc(I)s1)C(=O)NCc1ccco1 ZINC000602593087 565856653 /nfs/dbraw/zinc/85/66/53/565856653.db2.gz ICETYUMRUNEXNY-SECBINFHSA-N 1 0 390.246 2.740 20 0 GFADRO CSCC[C@@H]([NH3+])C(=O)N1CC2(CCOCC2)c2ccc(Br)cc21 ZINC000602582167 565856754 /nfs/dbraw/zinc/85/67/54/565856754.db2.gz OQKGSNCIVLQHIK-CQSZACIVSA-N 1 0 399.354 2.924 20 0 GFADRO O=C(N[C@H]1CCCSC1)N1CCN([C@H](CO)c2ccc(Cl)cc2)CC1 ZINC000674034093 565857002 /nfs/dbraw/zinc/85/70/02/565857002.db2.gz UKWPVIOWHVDPOS-DLBZAZTESA-N 1 0 383.945 2.596 20 0 GFADRO Cc1cc(Br)ccc1C(=O)N1CCC(N[C@@H]2CC[NH2+][C@H]2C)CC1 ZINC000629546889 565857999 /nfs/dbraw/zinc/85/79/99/565857999.db2.gz YSXJXMQIHJRHAF-SUMWQHHRSA-N 1 0 380.330 2.702 20 0 GFADRO CN(Cc1ccc(Cl)s1)C(=O)CN1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629567723 565859505 /nfs/dbraw/zinc/85/95/05/565859505.db2.gz QJXUDGQZTYLONH-CMPLNLGQSA-N 1 0 383.867 2.819 20 0 GFADRO Cc1sc(NC(=O)CN(C)CCOCC[NH3+])nc1-c1ccc(Cl)cc1 ZINC000629576544 565860234 /nfs/dbraw/zinc/86/02/34/565860234.db2.gz AFNOZAZWRHXDHK-UHFFFAOYSA-N 1 0 382.917 2.618 20 0 GFADRO C[C@]12C[NH2+]C[C@@]1(C)CN(Cc1nc(-c3cc(Br)cs3)no1)C2 ZINC000629584913 565860432 /nfs/dbraw/zinc/86/04/32/565860432.db2.gz FYQOTKFMARAING-GASCZTMLSA-N 1 0 383.315 2.992 20 0 GFADRO O[C@@H]1C[C@H]([C@@H]2CCCOC2)[N@H+](Cc2ccc(I)s2)C1 ZINC000602678085 565862295 /nfs/dbraw/zinc/86/22/95/565862295.db2.gz BRJFDTHFNOGTKO-NQBHXWOUSA-N 1 0 393.290 2.715 20 0 GFADRO O[C@@H](C[NH2+]CC/C=C/c1ccc(Br)cc1)COC1CCOCC1 ZINC000629599628 565862832 /nfs/dbraw/zinc/86/28/32/565862832.db2.gz ONMWDKUILGDWKK-DUXHTMCSSA-N 1 0 384.314 2.999 20 0 GFADRO CC(C)[N@@H+]1CC[C@H](CNC(=O)c2cc(=O)c3cc(Br)ccc3[nH]2)C1 ZINC000602753549 565866158 /nfs/dbraw/zinc/86/61/58/565866158.db2.gz ZCJQHTKJNQSLHE-GFCCVEGCSA-N 1 0 392.297 2.751 20 0 GFADRO CC[NH+]1CCC(NC(=O)c2cc(=O)c3cc(Br)ccc3[nH]2)CC1 ZINC000602739918 565866327 /nfs/dbraw/zinc/86/63/27/565866327.db2.gz WZVAYPMXJNNJBF-UHFFFAOYSA-N 1 0 378.270 2.505 20 0 GFADRO COC1CC[NH+](CCNC(=O)CCOc2ccc(C)cc2Br)CC1 ZINC000674310843 565867217 /nfs/dbraw/zinc/86/72/17/565867217.db2.gz RCSLZCNRIRXGNY-UHFFFAOYSA-N 1 0 399.329 2.753 20 0 GFADRO COC1CC[NH+](CCNC(=O)c2cc(Br)ccc2Cl)CC1 ZINC000674311737 565867418 /nfs/dbraw/zinc/86/74/18/565867418.db2.gz OZQXIXDCUNXTBI-UHFFFAOYSA-N 1 0 375.694 2.943 20 0 GFADRO COC1CC[NH+](CCNC(=O)CCCOc2ccccc2Br)CC1 ZINC000674309564 565867556 /nfs/dbraw/zinc/86/75/56/565867556.db2.gz BHBIDNSUZCJRCU-UHFFFAOYSA-N 1 0 399.329 2.835 20 0 GFADRO COC1CC[NH+](CCNC(=O)CCc2ccc(Br)cc2F)CC1 ZINC000674311463 565867800 /nfs/dbraw/zinc/86/78/00/565867800.db2.gz RQNUZOXQGUKAIX-UHFFFAOYSA-N 1 0 387.293 2.748 20 0 GFADRO CC[C@@H](C[NH+]1CCCC1)NS(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1F ZINC000674346423 565869704 /nfs/dbraw/zinc/86/97/04/565869704.db2.gz PGXKKIBTXPEQRL-LBPRGKRZSA-N 1 0 391.896 2.590 20 0 GFADRO CC[C@H](C[NH+]1CCCC1)NS(=O)(=O)c1ccc(C)cc1Br ZINC000674345015 565870258 /nfs/dbraw/zinc/87/02/58/565870258.db2.gz ITMYJRVAYPISIG-CYBMUJFWSA-N 1 0 375.332 2.910 20 0 GFADRO C[NH+]1CCC(O)(CNC(=O)Nc2cc(Br)c(F)cc2Cl)CC1 ZINC000674389792 565872870 /nfs/dbraw/zinc/87/28/70/565872870.db2.gz XNFNTOKBDOLEIC-UHFFFAOYSA-N 1 0 394.672 2.820 20 0 GFADRO COC[C@@H]1CCC[N@@H+]1C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000674469759 565875018 /nfs/dbraw/zinc/87/50/18/565875018.db2.gz KOOGUUQITBOSMP-QWHCGFSZSA-N 1 0 378.694 2.953 20 0 GFADRO COc1ccc(NC(=O)NCC2([NH+](C)C)CC2)c(I)c1 ZINC000602991412 565878363 /nfs/dbraw/zinc/87/83/63/565878363.db2.gz AIIKIFZDBIPXLR-UHFFFAOYSA-N 1 0 389.237 2.516 20 0 GFADRO C[C@@H](C(=O)NC[C@@H](c1ccsc1)[NH+](C)C)c1ccc(S(C)(=O)=O)cc1 ZINC000674667058 565880480 /nfs/dbraw/zinc/88/04/80/565880480.db2.gz YNJSEPWQBNDAPM-DYVFJYSZSA-N 1 0 380.535 2.674 20 0 GFADRO O[C@H](COC1CCOCC1)C[N@H+]1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000674845648 565885799 /nfs/dbraw/zinc/88/57/99/565885799.db2.gz YYPKWPQIIKKBQT-TUAOUCFPSA-N 1 0 379.341 2.606 20 0 GFADRO C[N@@H+]1C[C@H]2CCN(C(=O)C(=O)Nc3cc(Cl)c(Cl)c(Cl)c3)[C@@H]2C1 ZINC000651818257 565896403 /nfs/dbraw/zinc/89/64/03/565896403.db2.gz OKOVOSMSENLSFY-PRHODGIISA-N 1 0 376.671 2.748 20 0 GFADRO CC[C@H](c1ccc(Br)cc1)[N@H+](C)CCN1CCCS1(=O)=O ZINC000675498342 565906257 /nfs/dbraw/zinc/90/62/57/565906257.db2.gz BMISAZGKCCURLU-OAHLLOKOSA-N 1 0 375.332 2.868 20 0 GFADRO CCCOc1c(Br)cc(C[NH2+][C@H]2C[C@@H](C(N)=O)C2)cc1OCC ZINC000651942213 565906472 /nfs/dbraw/zinc/90/64/72/565906472.db2.gz ZTOORDFRMPLWNK-BETUJISGSA-N 1 0 385.302 2.990 20 0 GFADRO CCN1C[C@H](C[NH2+]Cc2cn(-c3ccc(Br)cc3)nc2C)CC1=O ZINC000651999078 565909624 /nfs/dbraw/zinc/90/96/24/565909624.db2.gz FASBYNQHBWMWKC-AWEZNQCLSA-N 1 0 391.313 2.901 20 0 GFADRO CCN1C[C@@H](C[NH2+]C2CCN(Cc3ccccc3Br)CC2)CC1=O ZINC000651999493 565909693 /nfs/dbraw/zinc/90/96/93/565909693.db2.gz NNNXBGQYAOVIQN-OAHLLOKOSA-N 1 0 394.357 2.872 20 0 GFADRO CCN1C[C@@H](C[NH2+][C@@H](C)CC(=O)Nc2ccc(Br)cc2)CC1=O ZINC000652015884 565911663 /nfs/dbraw/zinc/91/16/63/565911663.db2.gz OAFFBXTZQXZAMT-QWHCGFSZSA-N 1 0 382.302 2.624 20 0 GFADRO Cn1c(=O)ccc2c1CCC[C@H]2[NH2+]Cc1cn2ccc(Br)cc2n1 ZINC000652050074 565913637 /nfs/dbraw/zinc/91/36/37/565913637.db2.gz VBEITSATHLTELF-OAHLLOKOSA-N 1 0 387.281 2.963 20 0 GFADRO CN(CCC[NH2+][C@H]1CCCOc2cc(Br)ccc21)S(C)(=O)=O ZINC000675746195 565913880 /nfs/dbraw/zinc/91/38/80/565913880.db2.gz DOSLFJHZWYPXPW-AWEZNQCLSA-N 1 0 391.331 2.534 20 0 GFADRO COCC[N@@H+]1CCC[C@H](NC(=O)CCCc2ccccc2Br)C1 ZINC000675786307 565915937 /nfs/dbraw/zinc/91/59/37/565915937.db2.gz OACRWNDPKCHFRE-INIZCTEOSA-N 1 0 383.330 2.999 20 0 GFADRO CC[C@H]([NH2+]CCN1CCN(S(C)(=O)=O)CC1)c1ccc(Cl)c(Cl)c1 ZINC000675817164 565916331 /nfs/dbraw/zinc/91/63/31/565916331.db2.gz MMPXSFAOVVLHCN-INIZCTEOSA-N 1 0 394.368 2.611 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)NCCC1(C[NH3+])CC1 ZINC000652144385 565917644 /nfs/dbraw/zinc/91/76/44/565917644.db2.gz FCDQZGQIYMQDQW-UHFFFAOYSA-N 1 0 397.317 2.514 20 0 GFADRO O=C(NCCC1CC[NH2+]CC1)NCc1cc(F)c(F)cc1Br ZINC000652191891 565918649 /nfs/dbraw/zinc/91/86/49/565918649.db2.gz IXDZYHXOZZYFCJ-UHFFFAOYSA-N 1 0 376.245 2.916 20 0 GFADRO C[C@@H](CNC(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1)Oc1ccccc1Br ZINC000652164343 565918669 /nfs/dbraw/zinc/91/86/69/565918669.db2.gz LIJGHTANFSYLQZ-DEYYWGMASA-N 1 0 396.329 2.987 20 0 GFADRO COc1cc(Br)ccc1CNC(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652180581 565918836 /nfs/dbraw/zinc/91/88/36/565918836.db2.gz YZDFTLGMYWYCBD-GUYCJALGSA-N 1 0 382.302 2.728 20 0 GFADRO C[NH2+]Cc1ccccc1CNC(=O)N[C@H](CO)c1ccc(Br)cc1 ZINC000652290409 565922263 /nfs/dbraw/zinc/92/22/63/565922263.db2.gz BMAPQKLBCQGPNX-QGZVFWFLSA-N 1 0 392.297 2.701 20 0 GFADRO Cc1ccc(NC(=O)C(=O)N(C)CC[NH+]2CCCCC2)c(Br)c1 ZINC000652293991 565922312 /nfs/dbraw/zinc/92/23/12/565922312.db2.gz JGCVBBPJHBBACI-UHFFFAOYSA-N 1 0 382.302 2.640 20 0 GFADRO C[C@@H]1CCCN(CCS(=O)(=O)c2cccc(Br)c2)[C@@H]1CC[NH3+] ZINC000652354537 565923484 /nfs/dbraw/zinc/92/34/84/565923484.db2.gz BOTOUCPRWMYCGV-CZUORRHYSA-N 1 0 389.359 2.672 20 0 GFADRO CC[NH+]1CCC(N(C)C(=O)c2ccc3cncc(Br)c3n2)CC1 ZINC000630898707 565926194 /nfs/dbraw/zinc/92/61/94/565926194.db2.gz ZINPZTJEQJMKHX-UHFFFAOYSA-N 1 0 377.286 2.949 20 0 GFADRO C[C@H]1Cc2cc(S(=O)(=O)NCc3ccc(C[NH3+])cc3F)cc(Cl)c2O1 ZINC000652381458 565926461 /nfs/dbraw/zinc/92/64/61/565926461.db2.gz HPPOGYABCYOTEY-JTQLQIEISA-N 1 0 384.860 2.740 20 0 GFADRO C[C@H]1CCCN(S(=O)(=O)Cc2ccc(Br)cc2)[C@@H]1CC[NH3+] ZINC000652377526 565926533 /nfs/dbraw/zinc/92/65/33/565926533.db2.gz JMCNFPRBAQXNQX-SWLSCSKDSA-N 1 0 375.332 2.728 20 0 GFADRO CCOc1ccc(S(=O)(=O)NCCC2CC[NH2+]CC2)cc1Br ZINC000652385082 565927618 /nfs/dbraw/zinc/92/76/18/565927618.db2.gz AKBNLNCYEGHWRU-UHFFFAOYSA-N 1 0 391.331 2.516 20 0 GFADRO O=C(CCN1CC[NH+]([C@H]2CCC[C@H]2O)CC1)Nc1c(Cl)cccc1Cl ZINC000604384529 565928706 /nfs/dbraw/zinc/92/87/06/565928706.db2.gz VMZVSAPWEYVDFJ-JKSUJKDBSA-N 1 0 386.323 2.853 20 0 GFADRO CC(C)Oc1cc(C(=O)N[C@@H]2CCC[N@H+](CCCO)C2)ccc1Br ZINC000652390430 565928896 /nfs/dbraw/zinc/92/88/96/565928896.db2.gz PFKNRSMHFIWLMQ-OAHLLOKOSA-N 1 0 399.329 2.813 20 0 GFADRO COc1ccc(NC(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c(Br)c1 ZINC000604621340 565933262 /nfs/dbraw/zinc/93/32/62/565933262.db2.gz PYHWOGPKFOHHDN-HZPDHXFCSA-N 1 0 398.301 2.521 20 0 GFADRO C[C@@H]([NH2+]Cc1ccc(Cl)c(S(N)(=O)=O)c1)c1ccc2c(c1)OCCO2 ZINC000631033896 565935287 /nfs/dbraw/zinc/93/52/87/565935287.db2.gz CCNVWSGDGAZVND-LLVKDONJSA-N 1 0 382.869 2.609 20 0 GFADRO O=C(NCCC1CC[NH2+]CC1)C(=O)Nc1cccc(Cl)c1Br ZINC000652643075 565937068 /nfs/dbraw/zinc/93/70/68/565937068.db2.gz WYYJJKNPWAEHHA-UHFFFAOYSA-N 1 0 388.693 2.547 20 0 GFADRO NS(=O)(=O)c1cc(C[NH2+][C@@H]2CCCN(c3ccccc3)C2)ccc1Cl ZINC000631074147 565938047 /nfs/dbraw/zinc/93/80/47/565938047.db2.gz SMHJZWFVMHWYED-OAHLLOKOSA-N 1 0 379.913 2.746 20 0 GFADRO CCS(=O)(=O)N1CCC(C[NH2+]Cc2ccccc2CC(F)(F)F)CC1 ZINC000631110688 565941063 /nfs/dbraw/zinc/94/10/63/565941063.db2.gz DOWQUYPZFYELRD-UHFFFAOYSA-N 1 0 378.460 2.943 20 0 GFADRO C[C@@H](Cc1cc(Br)ccc1F)[NH2+]Cc1cn(C[C@@H]2CCOC2)nn1 ZINC000631104452 565941492 /nfs/dbraw/zinc/94/14/92/565941492.db2.gz DACOKHQDUJLNBC-STQMWFEESA-N 1 0 397.292 2.937 20 0 GFADRO NS(=O)(=O)c1cc(C[NH2+][C@H]2CCO[C@@H](c3ccccc3)C2)ccc1Cl ZINC000631113966 565943224 /nfs/dbraw/zinc/94/32/24/565943224.db2.gz TYEDMEFSJCZMEX-DOTOQJQBSA-N 1 0 380.897 2.997 20 0 GFADRO C[C@H](COc1c(F)cccc1F)[NH2+]Cc1ccc(Cl)c(S(N)(=O)=O)c1 ZINC000631172697 565946497 /nfs/dbraw/zinc/94/64/97/565946497.db2.gz UPSNCGDZUGUVDE-SNVBAGLBSA-N 1 0 390.839 2.823 20 0 GFADRO C[NH+](C)CCNC(=O)c1ccc(NCc2ccncc2Br)cc1 ZINC000631180673 565946646 /nfs/dbraw/zinc/94/66/46/565946646.db2.gz HTTJYUHICCBOAZ-UHFFFAOYSA-N 1 0 377.286 2.748 20 0 GFADRO C[C@@H](NC(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O)c1cccc(Cl)c1Cl ZINC000605174974 565948210 /nfs/dbraw/zinc/94/82/10/565948210.db2.gz WZXJJDPFNNEAFK-RISCZKNCSA-N 1 0 387.311 2.693 20 0 GFADRO CN(C(=O)c1ccc2cncc(Br)c2n1)[C@@H]1C[NH+]2CCC1CC2 ZINC000631233110 565949908 /nfs/dbraw/zinc/94/99/08/565949908.db2.gz HPIWEWCKBUGLMV-OAHLLOKOSA-N 1 0 375.270 2.559 20 0 GFADRO CN(CC[NH+]1CCCCC1)C(=O)Cc1cc2c(cc1Br)OCCO2 ZINC000652987293 565950845 /nfs/dbraw/zinc/95/08/45/565950845.db2.gz CICYOSCPKIVYKR-UHFFFAOYSA-N 1 0 397.313 2.707 20 0 GFADRO CC(C)Oc1cc(C(=O)NC[C@@](C)(O)CC[NH+](C)C)ccc1Br ZINC000653024286 565952170 /nfs/dbraw/zinc/95/21/70/565952170.db2.gz KDAZZGXHTNJARD-KRWDZBQOSA-N 1 0 387.318 2.669 20 0 GFADRO CN(C1CC1)S(=O)(=O)NC[C@H](c1c(F)cccc1Cl)N1CCCC1 ZINC000605579354 565953543 /nfs/dbraw/zinc/95/35/43/565953543.db2.gz RLWBHRAKSANWNK-OAHLLOKOSA-N 1 0 375.897 2.545 20 0 GFADRO COc1cc(CNC(=O)[C@H]2CC[C@H](C3CC3)[NH2+]2)cc(Br)c1OC ZINC000653083336 565954060 /nfs/dbraw/zinc/95/40/60/565954060.db2.gz VXBOMITZTGNNSF-ZIAGYGMSSA-N 1 0 383.286 2.613 20 0 GFADRO O=C(N[C@@H]1CCN(c2ccccc2Br)C1)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653119613 565955341 /nfs/dbraw/zinc/95/53/41/565955341.db2.gz PPJDVKJMUBWNFJ-FVQBIDKESA-N 1 0 378.314 2.675 20 0 GFADRO O=C(NC[C@@H]1CCN(c2ccc(Br)cc2)C1)[C@H]1CCC[NH2+]CC1 ZINC000653112271 565955396 /nfs/dbraw/zinc/95/53/96/565955396.db2.gz SULNYGUGWGPYDO-GJZGRUSLSA-N 1 0 380.330 2.781 20 0 GFADRO CC(C)c1n[nH]c(C(=O)N2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)c1Br ZINC000653186018 565957123 /nfs/dbraw/zinc/95/71/23/565957123.db2.gz GEGGBHMDNWOBRE-AVGNSLFASA-N 1 0 399.333 2.654 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)N[C@H](CO)c2ccc(Br)cc2)c2nccn21 ZINC000653175622 565957313 /nfs/dbraw/zinc/95/73/13/565957313.db2.gz IAPBZZLIQYLYOK-LERXQTSPSA-N 1 0 379.258 2.684 20 0 GFADRO CC(C)c1n[nH]c(C(=O)N2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)c1Br ZINC000653186020 565957723 /nfs/dbraw/zinc/95/77/23/565957723.db2.gz GEGGBHMDNWOBRE-XQQFMLRXSA-N 1 0 399.333 2.654 20 0 GFADRO COCC[N@@H+]1CC[C@@H](NC(=O)NCC(C)(C)c2ccc(Br)cc2)C1 ZINC000605847157 565958055 /nfs/dbraw/zinc/95/80/55/565958055.db2.gz HOULTWUQOGIYKD-MRXNPFEDSA-N 1 0 398.345 2.747 20 0 GFADRO [NH3+]C[C@]12CCC[C@H]1CN(C(=O)c1ccn(-c3cccc(Br)c3)n1)C2 ZINC000653195890 565958446 /nfs/dbraw/zinc/95/84/46/565958446.db2.gz OVZGETZZOYCJAL-UGSOOPFHSA-N 1 0 389.297 2.836 20 0 GFADRO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCN(C(=O)c3ccc(Br)cc3F)C2)C1 ZINC000653191144 565958480 /nfs/dbraw/zinc/95/84/80/565958480.db2.gz SGVJWUYUEOEPGU-AXAPSJFSSA-N 1 0 385.277 2.947 20 0 GFADRO CCO[C@@H]1CN(C(=O)CCCCOc2ccc(Br)cc2)C[C@H]1C[NH3+] ZINC000653246449 565960137 /nfs/dbraw/zinc/96/01/37/565960137.db2.gz NHCJBUFOYBJCOS-RHSMWYFYSA-N 1 0 399.329 2.820 20 0 GFADRO CN1CC[C@H]([NH+]2CCC(NC(=O)Nc3cc(Cl)ccc3Cl)CC2)C1=O ZINC000631528513 565961636 /nfs/dbraw/zinc/96/16/36/565961636.db2.gz AOHSPBOHUOVMSB-HNNXBMFYSA-N 1 0 385.295 2.810 20 0 GFADRO CN(C(=O)c1cc(=O)[nH]c2ccc(Br)cc21)[C@H]1C[NH+]2CCC1CC2 ZINC000606370316 565962443 /nfs/dbraw/zinc/96/24/43/565962443.db2.gz RKCBKJBZCFMKSU-INIZCTEOSA-N 1 0 390.281 2.869 20 0 GFADRO CC[N@@H+]1CCN(C(=O)C2CCN(C(=O)c3ccc(Cl)s3)CC2)C[C@@H]1C ZINC000677173628 565962461 /nfs/dbraw/zinc/96/24/61/565962461.db2.gz JPUYQYVXMYTBER-ZDUSSCGKSA-N 1 0 383.945 2.806 20 0 GFADRO Brc1cccc2c1C[C@@H]1[C@H]([NH2+]C3CCN([C@@H]4CCOC4)CC3)[C@H]21 ZINC000631663975 565966082 /nfs/dbraw/zinc/96/60/82/565966082.db2.gz ITBKDPKYRBVPIW-HQJJXPTPSA-N 1 0 377.326 2.930 20 0 GFADRO C[C@H](CCc1ccc(OC(F)F)cc1)[NH2+]CCCN1CCCS1(=O)=O ZINC000631656479 565966270 /nfs/dbraw/zinc/96/62/70/565966270.db2.gz SKTKRDIPHYIZNI-CQSZACIVSA-N 1 0 376.469 2.624 20 0 GFADRO COc1ccc(CNC(=O)N[C@H](C)C2CC[NH+](C)CC2)cc1Br ZINC000606666124 565968490 /nfs/dbraw/zinc/96/84/90/565968490.db2.gz GOYWWDZDUPBMJH-GFCCVEGCSA-N 1 0 384.318 2.987 20 0 GFADRO CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+][C@@H](C)[C@@H](O)C(F)(F)F)cc1 ZINC000631717405 565970015 /nfs/dbraw/zinc/97/00/15/565970015.db2.gz JNMGUIXDPLSEEO-SLEUVZQESA-N 1 0 382.448 2.679 20 0 GFADRO COc1cc([C@H](C)[NH2+][C@@H](C(C)C)[C@H](O)C(F)(F)F)ccc1S(C)(=O)=O ZINC000631715035 565970301 /nfs/dbraw/zinc/97/03/01/565970301.db2.gz MRNAIJBFQXJQHK-LKTVYLICSA-N 1 0 383.432 2.697 20 0 GFADRO CC1CC[NH+](CCCCNS(=O)(=O)c2ccc3[nH]c(=O)sc3c2)CC1 ZINC000631756982 565972681 /nfs/dbraw/zinc/97/26/81/565972681.db2.gz VWFGYUVMMVDFRU-UHFFFAOYSA-N 1 0 383.539 2.792 20 0 GFADRO C[C@@H](Cc1ccccc1Br)NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC000631786757 565975140 /nfs/dbraw/zinc/97/51/40/565975140.db2.gz DQTFZEHBXKRNBH-ZDUSSCGKSA-N 1 0 379.302 2.568 20 0 GFADRO O=C(CCc1cc(Br)ccc1F)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000677541626 565977157 /nfs/dbraw/zinc/97/71/57/565977157.db2.gz RUEGLGRBGZRWNF-IRXDYDNUSA-N 1 0 399.304 2.578 20 0 GFADRO CC(C)[NH2+]C1(CO)CCN(Cc2cc3c(cc2Br)OCCO3)CC1 ZINC000653729685 565980222 /nfs/dbraw/zinc/98/02/22/565980222.db2.gz RJFXFXKDMRBZIC-UHFFFAOYSA-N 1 0 399.329 2.545 20 0 GFADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N(C)c1ncc(Br)cn1 ZINC000653822900 565983632 /nfs/dbraw/zinc/98/36/32/565983632.db2.gz KUZNAAMDTXWXOL-CZUORRHYSA-N 1 0 389.297 2.970 20 0 GFADRO O[C@@]1(CNCc2ccc(Br)cn2)CC[N@H+](Cc2ccccc2)C1 ZINC000607366735 565983670 /nfs/dbraw/zinc/98/36/70/565983670.db2.gz RWFJQUQALSZCPL-GOSISDBHSA-N 1 0 376.298 2.571 20 0 GFADRO O=S(=O)(c1ccc(C(F)(F)C(F)(F)F)cc1)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000631932464 565984912 /nfs/dbraw/zinc/98/49/12/565984912.db2.gz VITHLWOWQGPNGF-MFKMUULPSA-N 1 0 384.370 2.713 20 0 GFADRO O=S(=O)(c1cscc1Br)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000631949922 565985677 /nfs/dbraw/zinc/98/56/77/565985677.db2.gz SUTNUAXLOBJKGC-LBPRGKRZSA-N 1 0 393.372 2.911 20 0 GFADRO COc1ccc(Br)cc1C(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000607621114 565986260 /nfs/dbraw/zinc/98/62/60/565986260.db2.gz WKOBMPLRIJOOOE-AWEZNQCLSA-N 1 0 385.302 2.544 20 0 GFADRO Cc1c(Br)cccc1CS(=O)(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000631976322 565987960 /nfs/dbraw/zinc/98/79/60/565987960.db2.gz YVCFDGRJMDJDBH-MQMHXKEQSA-N 1 0 375.332 2.694 20 0 GFADRO COc1ccc(Br)cc1C1(C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)CC1 ZINC000654063271 565995241 /nfs/dbraw/zinc/99/52/41/565995241.db2.gz PZLFTHOBAODPCS-XBXGTLAGSA-N 1 0 381.314 2.946 20 0 GFADRO CN(C)c1ncc(Br)cc1C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000654311066 566005048 /nfs/dbraw/zinc/00/50/48/566005048.db2.gz NAPLVEJENURYKW-HUUCEWRRSA-N 1 0 381.318 2.657 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)N1CCOc2cccc(Br)c2C1 ZINC000654381206 566007023 /nfs/dbraw/zinc/00/70/23/566007023.db2.gz KVHUWDPOOJRVSP-ZIAGYGMSSA-N 1 0 394.313 2.980 20 0 GFADRO CC[N@@H+]1C[C@@H](C)N(C(=O)c2ccc3cncc(Br)c3n2)C[C@H]1C ZINC000632216358 566010405 /nfs/dbraw/zinc/01/04/05/566010405.db2.gz GEHDQLREMYFDEG-VXGBXAGGSA-N 1 0 377.286 2.947 20 0 GFADRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)c1cc(Br)c2nccn2c1 ZINC000632202931 566010479 /nfs/dbraw/zinc/01/04/79/566010479.db2.gz OHZGLSLVSMTFGO-GFCCVEGCSA-N 1 0 379.302 2.899 20 0 GFADRO C[C@@H]([NH2+]CCc1nnnn1C)c1ccc(Br)cc1Br ZINC000678548956 566011760 /nfs/dbraw/zinc/01/17/60/566011760.db2.gz PZNBETSIZPNPHD-MRVPVSSYSA-N 1 0 389.095 2.628 20 0 GFADRO O=C(N[C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)C1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000654555053 566014764 /nfs/dbraw/zinc/01/47/64/566014764.db2.gz GEIJUZRQEHRSRV-ZQDZILKHSA-N 1 0 384.307 2.700 20 0 GFADRO C[NH+](C)CCNC(=O)c1ccc(NC(=O)c2cc(Br)co2)cc1 ZINC000654878658 566027241 /nfs/dbraw/zinc/02/72/41/566027241.db2.gz SATLCTSMUDHEGH-UHFFFAOYSA-N 1 0 380.242 2.586 20 0 GFADRO Cc1c(Br)cccc1NC(=O)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000654945834 566031282 /nfs/dbraw/zinc/03/12/82/566031282.db2.gz FYBNOVPRTFJIDJ-HOTGVXAUSA-N 1 0 394.313 2.829 20 0 GFADRO Cc1c(C(=O)NC[C@@H](c2cccs2)[NH+](C)C)sc2nc(C)nc(N)c12 ZINC000679178576 566031887 /nfs/dbraw/zinc/03/18/87/566031887.db2.gz HWEONGNBKMBSKL-NSHDSACASA-N 1 0 375.523 2.985 20 0 GFADRO Cc1ccc(I)c(C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)c1 ZINC000609382593 566037748 /nfs/dbraw/zinc/03/77/48/566037748.db2.gz COOZFIJTQWCCRS-CYBMUJFWSA-N 1 0 384.261 2.814 20 0 GFADRO C[C@@H]1CN(CC[NH2+][C@H](c2ccc(Br)cc2)[C@H]2CCCO2)CCO1 ZINC000679339803 566037843 /nfs/dbraw/zinc/03/78/43/566037843.db2.gz OYHINWLVRQMLAW-ZTFGCOKTSA-N 1 0 383.330 2.980 20 0 GFADRO CS(=O)(=O)CCC[NH2+][C@@H](c1ccc(Br)cc1)[C@H]1CCCO1 ZINC000679339407 566038445 /nfs/dbraw/zinc/03/84/45/566038445.db2.gz JMMGTUBJPNSPGN-CABCVRRESA-N 1 0 376.316 2.694 20 0 GFADRO Brc1ccc([C@H]([NH2+]CCCN2CCOCC2)[C@H]2CCCO2)cc1 ZINC000679329090 566038470 /nfs/dbraw/zinc/03/84/70/566038470.db2.gz ZAKUFWSEMMKHRH-MSOLQXFVSA-N 1 0 383.330 2.981 20 0 GFADRO C[C@H](CNC(=O)c1cc(I)c[nH]1)[N@@H+]1CCCC[C@H]1C ZINC000609659762 566048896 /nfs/dbraw/zinc/04/88/96/566048896.db2.gz VPHBIMDWCJBKLS-GHMZBOCLSA-N 1 0 375.254 2.612 20 0 GFADRO C[C@H](NC(=O)N[C@@H](CCO)c1ccccc1Br)C1CC[NH+](C)CC1 ZINC000679781300 566052319 /nfs/dbraw/zinc/05/23/19/566052319.db2.gz QSFBWUCVWLAYSX-GUYCJALGSA-N 1 0 398.345 2.902 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)CCC[N@@H+](C)CC(=O)NC1CC1 ZINC000679818106 566053048 /nfs/dbraw/zinc/05/30/48/566053048.db2.gz SDNMRJHNLOTXLI-UHFFFAOYSA-N 1 0 396.329 2.995 20 0 GFADRO O=C(N[C@@H]1CCN(c2ccc(Br)cc2)C1)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000655447132 566056998 /nfs/dbraw/zinc/05/69/98/566056998.db2.gz RGJBOJORVRSAHZ-UWWQBHOKSA-N 1 0 378.314 2.534 20 0 GFADRO COc1ccc(Cl)cc1S(=O)(=O)N1CCCN(c2cc[nH+]cc2)CC1 ZINC000632721426 566061167 /nfs/dbraw/zinc/06/11/67/566061167.db2.gz CTXHAVZTVRTKIU-UHFFFAOYSA-N 1 0 381.885 2.645 20 0 GFADRO [NH3+]C[C@@H](NC(=O)CCCc1nc(-c2ccc(Cl)cc2)no1)C(F)(F)F ZINC000655510979 566062476 /nfs/dbraw/zinc/06/24/76/566062476.db2.gz XBUMZVDVPHSVDV-LLVKDONJSA-N 1 0 376.766 2.719 20 0 GFADRO COCC[N@@H+]1CCC[C@@H](NC(=O)CCc2cc(F)ccc2Br)C1 ZINC000680189929 566065116 /nfs/dbraw/zinc/06/51/16/566065116.db2.gz LDIAZPPKRMLVEK-OAHLLOKOSA-N 1 0 387.293 2.748 20 0 GFADRO C[C@@H]1C[NH+](CCCNc2ncccc2I)C[C@@H](C)O1 ZINC000610129276 566067113 /nfs/dbraw/zinc/06/71/13/566067113.db2.gz VHJXOAXRCUTPLZ-VXGBXAGGSA-N 1 0 375.254 2.597 20 0 GFADRO C[NH+](C)CCn1cc(C(=O)N[C@@H]2C[C@H]2c2ccc(Br)c(F)c2)cn1 ZINC000632807019 566069271 /nfs/dbraw/zinc/06/92/71/566069271.db2.gz XLUCNWMDXSFSLW-XJKSGUPXSA-N 1 0 395.276 2.632 20 0 GFADRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)CS(=O)(=O)Cc1ccc(Cl)s1 ZINC000680397578 566069564 /nfs/dbraw/zinc/06/95/64/566069564.db2.gz TUBLQRMASLLTTR-LBPRGKRZSA-N 1 0 392.974 2.505 20 0 GFADRO C[NH+](C)[C@H]1C[C@@H](CNS(=O)(=O)c2cc(Br)sc2Cl)C1 ZINC000655632417 566074286 /nfs/dbraw/zinc/07/42/86/566074286.db2.gz KOEQVBIFYVIGGY-OCAPTIKFSA-N 1 0 387.752 2.783 20 0 GFADRO COc1cc(C[NH2+]CC[C@@H](O)C(C)C)cc(I)c1OC ZINC000610271255 566075777 /nfs/dbraw/zinc/07/57/77/566075777.db2.gz XMRKSIUXXWNYND-CYBMUJFWSA-N 1 0 393.265 2.805 20 0 GFADRO CC(C)Oc1cc(NC(=O)NC2(C[NH3+])CCOCC2)ccc1Br ZINC000632962139 566077697 /nfs/dbraw/zinc/07/76/97/566077697.db2.gz YDGOWQVZUVVSIN-UHFFFAOYSA-N 1 0 386.290 2.866 20 0 GFADRO CC(C)c1cc(Br)ccc1NC(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000633027305 566079813 /nfs/dbraw/zinc/07/98/13/566079813.db2.gz XAEUUMACIJWACJ-VXGBXAGGSA-N 1 0 382.302 2.564 20 0 GFADRO O=S(=O)(N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1cc(F)ccc1Br ZINC000655668142 566080353 /nfs/dbraw/zinc/08/03/53/566080353.db2.gz BLBXEJCDDQTGAN-ZIAGYGMSSA-N 1 0 391.306 2.883 20 0 GFADRO Cc1ccc(SCC(F)(F)F)c(NC(=O)C(=O)N2C[C@H]([NH3+])C[C@@H]2C)c1 ZINC000633039397 566080462 /nfs/dbraw/zinc/08/04/62/566080462.db2.gz SYEYDCZISHSDIA-WDEREUQCSA-N 1 0 375.416 2.536 20 0 GFADRO CC1(C)C[NH2+]CC[C@@H](NC(=O)C(=O)Nc2cc(Cl)c(Cl)cc2F)C1 ZINC000633046364 566080626 /nfs/dbraw/zinc/08/06/26/566080626.db2.gz QQMVQSHUSKLLOT-SECBINFHSA-N 1 0 376.259 2.965 20 0 GFADRO COC(=O)[C@@H](c1ccc(Cl)cc1Cl)N1CC[NH+](C(C)(C)CO)CC1 ZINC000610480994 566083138 /nfs/dbraw/zinc/08/31/38/566083138.db2.gz CXZGQOQIBSFOAV-OAHLLOKOSA-N 1 0 375.296 2.596 20 0 GFADRO O[C@@H](COc1ccc(Cl)c(Cl)c1)CN1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000680857718 566085726 /nfs/dbraw/zinc/08/57/26/566085726.db2.gz PLGTURKKPJJALI-GDBMZVCRSA-N 1 0 389.323 2.530 20 0 GFADRO Cc1nn(-c2ccccc2Br)cc1C[NH2+][C@@H]1CCCS(=O)(=O)C1 ZINC000655739191 566085745 /nfs/dbraw/zinc/08/57/45/566085745.db2.gz ZEJWACGFAHPTLW-CQSZACIVSA-N 1 0 398.326 2.610 20 0 GFADRO COCCN1CC[C@H]([NH2+]Cc2cn(-c3cccc(Br)c3)nc2C)C1 ZINC000655733387 566085897 /nfs/dbraw/zinc/08/58/97/566085897.db2.gz MTWMIIPZTLCNSF-KRWDZBQOSA-N 1 0 393.329 2.754 20 0 GFADRO Cc1nn(-c2ccccc2Br)cc1C[NH2+][C@@H]1CCC(=O)N(C)C1 ZINC000655743018 566085999 /nfs/dbraw/zinc/08/59/99/566085999.db2.gz XZPZUQPTCFXEDX-CQSZACIVSA-N 1 0 377.286 2.654 20 0 GFADRO Brc1cccc(N2CC[C@@H]([NH2+]C3CCN([C@@H]4CCOC4)CC3)C2)c1 ZINC000655761777 566087128 /nfs/dbraw/zinc/08/71/28/566087128.db2.gz PGXBESATWRXCOH-IEBWSBKVSA-N 1 0 394.357 2.871 20 0 GFADRO Cc1nn(-c2cccc(Br)c2)cc1C[NH2+]C[C@@H](O)C(F)(F)F ZINC000655765683 566087658 /nfs/dbraw/zinc/08/76/58/566087658.db2.gz JLVIFSFTCRJPCL-CYBMUJFWSA-N 1 0 378.192 2.956 20 0 GFADRO CCN1C[C@@H](C[NH2+]Cc2cn(-c3cccc(Br)c3)nc2C)CC1=O ZINC000655799777 566089706 /nfs/dbraw/zinc/08/97/06/566089706.db2.gz PICQQTJDQWJREI-CQSZACIVSA-N 1 0 391.313 2.901 20 0 GFADRO Cc1cc(N2CCC[C@H]([N@H+](C)C[C@@H](O)C3CC3)C2=O)ccc1Br ZINC000680984281 566090647 /nfs/dbraw/zinc/09/06/47/566090647.db2.gz DWJGKJYNTKSWBX-DLBZAZTESA-N 1 0 381.314 2.956 20 0 GFADRO CC[C@@H]1CN(S(C)(=O)=O)CC[C@@H]1[NH2+][C@H](C)c1nc(C(F)(F)F)cs1 ZINC000681053880 566092519 /nfs/dbraw/zinc/09/25/19/566092519.db2.gz DUKXIDKHYGPOLF-MXWKQRLJSA-N 1 0 385.477 2.873 20 0 GFADRO [NH3+]C[C@@H](NC(=O)NC[C@@H](OCC1CC1)c1ccc(Cl)cc1)C(F)(F)F ZINC000655926545 566097059 /nfs/dbraw/zinc/09/70/59/566097059.db2.gz FBCYYSQZSXEOGH-ZIAGYGMSSA-N 1 0 379.810 2.997 20 0 GFADRO CC[C@H](C[NH+]1CCCC1)NC(=O)Cc1cccc(I)c1 ZINC000610758832 566097250 /nfs/dbraw/zinc/09/72/50/566097250.db2.gz UUCIROOFZWFJBD-OAHLLOKOSA-N 1 0 386.277 2.824 20 0 GFADRO CC(C)[NH2+][C@H]1CCCN(C(=O)Cc2cccc(I)c2)C1 ZINC000610765718 566098247 /nfs/dbraw/zinc/09/82/47/566098247.db2.gz ZKNGCTYYJNCTDX-HNNXBMFYSA-N 1 0 386.277 2.823 20 0 GFADRO Cc1c(Br)cccc1CS(=O)(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000655953054 566098991 /nfs/dbraw/zinc/09/89/91/566098991.db2.gz DVWTYNRWEWVECM-HOCLYGCPSA-N 1 0 387.343 2.648 20 0 GFADRO Cc1c(Br)cccc1CS(=O)(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000655950531 566099158 /nfs/dbraw/zinc/09/91/58/566099158.db2.gz NBIOCHZPWTUWIQ-QWHCGFSZSA-N 1 0 375.332 2.565 20 0 GFADRO C[C@H](NC(=O)c1ccc(F)c(I)c1)C1CC[NH+](C)CC1 ZINC000610785647 566099539 /nfs/dbraw/zinc/09/95/39/566099539.db2.gz OOSRDOUSWNPNHS-JTQLQIEISA-N 1 0 390.240 2.890 20 0 GFADRO O=S1(=O)CC[C@H]([NH2+][C@@H]2CCN(CC3CC3)C2)c2cc(Br)ccc21 ZINC000681389598 566104509 /nfs/dbraw/zinc/10/45/09/566104509.db2.gz QIILBYRWUFWPIX-ZBFHGGJFSA-N 1 0 399.354 2.742 20 0 GFADRO Cc1c(Br)cncc1C(=O)N1CCc2[nH]cnc2C12CCOCC2 ZINC000633528735 566108190 /nfs/dbraw/zinc/10/81/90/566108190.db2.gz KQHOWCRBWDMAEL-UHFFFAOYSA-N 1 0 391.269 2.580 20 0 GFADRO CCn1cc(Br)cc1C(=O)N1CCc2[nH]cnc2C12CCOCC2 ZINC000633526856 566108511 /nfs/dbraw/zinc/10/85/11/566108511.db2.gz XEQCNKLTHGOSHV-UHFFFAOYSA-N 1 0 393.285 2.698 20 0 GFADRO C[NH+](C)CCn1cc(C(=O)N2CC[C@H]2c2ccc(Br)cc2)cn1 ZINC000633646720 566112292 /nfs/dbraw/zinc/11/22/92/566112292.db2.gz LTJPKONYCRENLI-INIZCTEOSA-N 1 0 377.286 2.794 20 0 GFADRO C[C@H]1C[C@@H](C(=O)N(C)C[C@@H](O)COc2cc(Cl)cc(Cl)c2)CC[N@@H+]1C ZINC000633751581 566120741 /nfs/dbraw/zinc/12/07/41/566120741.db2.gz BNEAMGSRIWRHRA-HEHGZKQESA-N 1 0 389.323 2.922 20 0 GFADRO COc1cc(Br)c(C[NH2+]C[C@@H](C)N2C[C@@H](C)O[C@@H](C)C2)cc1O ZINC000656268541 566121880 /nfs/dbraw/zinc/12/18/80/566121880.db2.gz FEKGRYKJZYHUCU-UPJWGTAASA-N 1 0 387.318 2.751 20 0 GFADRO O=C(NCc1c(Cl)cccc1Cl)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000656296183 566123683 /nfs/dbraw/zinc/12/36/83/566123683.db2.gz GTXKXKCIHSBUMH-HZPDHXFCSA-N 1 0 384.307 2.743 20 0 GFADRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)c1c(Br)cnn1C ZINC000633802475 566125604 /nfs/dbraw/zinc/12/56/04/566125604.db2.gz JCARTTMFAISHNE-ZFWWWQNUSA-N 1 0 391.313 2.681 20 0 GFADRO CC[C@H]([NH2+]C[C@H](C)S(C)(=O)=O)c1ccc(I)cc1 ZINC000611337513 566125952 /nfs/dbraw/zinc/12/59/52/566125952.db2.gz XHAWVCVEHHBWOQ-GWCFXTLKSA-N 1 0 381.279 2.765 20 0 GFADRO Cn1ncc(Br)c1CNC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000633992943 566136837 /nfs/dbraw/zinc/13/68/37/566136837.db2.gz QKCCCUXFTGETBG-HNNXBMFYSA-N 1 0 391.313 2.711 20 0 GFADRO Cc1ccc(CCC(=O)N2CC[N@H+](CCO)C(C)(C)C2)c(Br)c1 ZINC000682007443 566139032 /nfs/dbraw/zinc/13/90/32/566139032.db2.gz CDMGIMRPXWDRRV-UHFFFAOYSA-N 1 0 383.330 2.605 20 0 GFADRO O=C(NCc1ccc(Cl)c(Cl)c1)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000611837941 566142468 /nfs/dbraw/zinc/14/24/68/566142468.db2.gz CDKGWZKCDRUDLT-UHFFFAOYSA-N 1 0 384.307 2.600 20 0 GFADRO CC1(C)CN(Cc2cnn(-c3ccc(Br)cc3)c2)CC[N@@H+]1CCO ZINC000682166317 566145210 /nfs/dbraw/zinc/14/52/10/566145210.db2.gz MIAZDUQRHCKDSR-UHFFFAOYSA-N 1 0 393.329 2.523 20 0 GFADRO COC[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc(Br)c1)C1CCOCC1 ZINC000656678751 566154291 /nfs/dbraw/zinc/15/42/91/566154291.db2.gz MXAUFLXHEPSFJJ-BLLLJJGKSA-N 1 0 385.302 2.807 20 0 GFADRO COC[C@@H]([NH2+][C@H](C)C(=O)Nc1ccccc1Br)C1CCOCC1 ZINC000656678919 566155064 /nfs/dbraw/zinc/15/50/64/566155064.db2.gz NAFOWYNOKPMRQO-MLGOLLRUSA-N 1 0 385.302 2.807 20 0 GFADRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C(=O)NCc2ccc(Cl)c(Cl)c2)C1 ZINC000612416716 566161374 /nfs/dbraw/zinc/16/13/74/566161374.db2.gz SUCMTWYPASGASC-AWEZNQCLSA-N 1 0 386.323 2.704 20 0 GFADRO CN(C)Cc1cc([N-]S(=O)(=O)c2c3c(nn2C)CCCC3)ccc1Cl ZINC000634658076 566166473 /nfs/dbraw/zinc/16/64/73/566166473.db2.gz PDVQROWVVGHCKD-UHFFFAOYSA-N 1 0 382.917 2.815 20 0 GFADRO Cc1c(Br)cncc1C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000612581872 566166773 /nfs/dbraw/zinc/16/67/73/566166773.db2.gz WKDALXFYRUZNHY-IRXDYDNUSA-N 1 0 396.329 2.650 20 0 GFADRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2cc(Br)cc3[nH]c(=O)[nH]c32)C1 ZINC000612649462 566168026 /nfs/dbraw/zinc/16/80/26/566168026.db2.gz MMTATHLIYRGNNU-IINYFYTJSA-N 1 0 393.285 2.587 20 0 GFADRO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1c(Cl)cccc1Br ZINC000612659387 566169988 /nfs/dbraw/zinc/16/99/88/566169988.db2.gz OHKYCXKNGOTASP-NSHDSACASA-N 1 0 375.694 2.679 20 0 GFADRO Cc1ncc2c(n1)CC[C@H]([NH2+]C[C@H](O)COc1cc(Cl)cc(Cl)c1)C2 ZINC000634698962 566170963 /nfs/dbraw/zinc/17/09/63/566170963.db2.gz BVMXPEGJYHXPBF-HOTGVXAUSA-N 1 0 382.291 2.979 20 0 GFADRO O=S1(=O)CCC(CC[NH2+]C[C@H](O)COc2cc(Cl)cc(Cl)c2)CC1 ZINC000634709149 566171441 /nfs/dbraw/zinc/17/14/41/566171441.db2.gz FFOCROCSNICUHG-HNNXBMFYSA-N 1 0 396.336 2.538 20 0 GFADRO O=S(=O)(Cc1cc(F)ccc1Br)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000656877710 566172954 /nfs/dbraw/zinc/17/29/54/566172954.db2.gz PYVSSRYYDWAWSU-CABCVRRESA-N 1 0 391.306 2.634 20 0 GFADRO O[C@H](C[NH2+]C[C@H](n1cncn1)C(F)(F)F)COc1c(Cl)cccc1Cl ZINC000634725900 566173396 /nfs/dbraw/zinc/17/33/96/566173396.db2.gz HASMTPFDVSCEOT-SKDRFNHKSA-N 1 0 399.200 2.718 20 0 GFADRO O[C@H](C[NH2+]C[C@@H](n1cncn1)C(F)(F)F)COc1c(Cl)cccc1Cl ZINC000634725897 566173561 /nfs/dbraw/zinc/17/35/61/566173561.db2.gz HASMTPFDVSCEOT-BXKDBHETSA-N 1 0 399.200 2.718 20 0 GFADRO C[C@H]([NH2+]C[C@H](O)CC1(O)CCOCC1)c1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC000634727394 566173693 /nfs/dbraw/zinc/17/36/93/566173693.db2.gz SPQNQTWWYXGNNF-WDEREUQCSA-N 1 0 388.295 2.813 20 0 GFADRO O[C@H](C[NH2+]C[C@H](n1cncn1)C(F)(F)F)COc1ccc(Cl)c(Cl)c1 ZINC000634725770 566173818 /nfs/dbraw/zinc/17/38/18/566173818.db2.gz CNINGKAIXGTEMK-RNCFNFMXSA-N 1 0 399.200 2.718 20 0 GFADRO C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000634747835 566174085 /nfs/dbraw/zinc/17/40/85/566174085.db2.gz BIZYYYMPUKMXJO-FJNPEDAXSA-N 1 0 384.307 2.570 20 0 GFADRO CC1(C)C[NH2+]CC[C@@H](NC(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CC2)C1 ZINC000634755960 566174298 /nfs/dbraw/zinc/17/42/98/566174298.db2.gz LFXOABQUNCVWOA-CQSZACIVSA-N 1 0 384.929 2.541 20 0 GFADRO COc1cc(C(=O)N[C@@H]2CC[NH2+]CC(C)(C)C2)cc(Br)c1OC ZINC000634763439 566174575 /nfs/dbraw/zinc/17/45/75/566174575.db2.gz WYGZHKOFYPGNHF-GFCCVEGCSA-N 1 0 385.302 2.974 20 0 GFADRO O[C@H](COc1ccc(Br)cc1)C[N@@H+]1CCO[C@@H](C(F)F)CC1 ZINC000634749967 566174691 /nfs/dbraw/zinc/17/46/91/566174691.db2.gz JWYRLFFJWXXUBO-GXTWGEPZSA-N 1 0 380.229 2.545 20 0 GFADRO Cn1nc2cc(Br)ccc2c1C(=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000634764274 566175006 /nfs/dbraw/zinc/17/50/06/566175006.db2.gz OXPMZMNOPPYRQF-LBPRGKRZSA-N 1 0 379.302 2.844 20 0 GFADRO CC[N@@H+]1CCC[C@@H](CNS(=O)(=O)Cc2cc(F)ccc2Br)C1 ZINC000656890719 566176261 /nfs/dbraw/zinc/17/62/61/566176261.db2.gz QNTKTWPFRVWEAA-LBPRGKRZSA-N 1 0 393.322 2.740 20 0 GFADRO C[C@]1(NC(=O)NCCCOc2ncc(C(F)(F)F)cc2Cl)CC[NH2+]C1 ZINC000612895773 566179353 /nfs/dbraw/zinc/17/93/53/566179353.db2.gz KSYJGYIXQLATAE-AWEZNQCLSA-N 1 0 380.798 2.574 20 0 GFADRO CN(CCOc1ccc(Br)cc1)C(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000612965091 566180355 /nfs/dbraw/zinc/18/03/55/566180355.db2.gz XEYRMEUMFGWBHX-HNNXBMFYSA-N 1 0 382.302 2.611 20 0 GFADRO C[C@@H](Cc1cc(Br)ccc1F)NC(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000612974132 566180416 /nfs/dbraw/zinc/18/04/16/566180416.db2.gz DCZPGIXRUZDAEY-XHDPSFHLSA-N 1 0 384.293 2.961 20 0 GFADRO CCN(CC[NH2+][C@@H]1CCS(=O)(=O)c2ccc(F)cc21)CCC(F)(F)F ZINC000683161261 566185327 /nfs/dbraw/zinc/18/53/27/566185327.db2.gz WWBKSBKWLNBWIU-CQSZACIVSA-N 1 0 382.423 2.908 20 0 GFADRO C[C@@H](CC(F)(F)F)CS(=O)(=O)N1C[C@@H](C[NH+](C)C)Oc2ccccc21 ZINC000656934501 566186226 /nfs/dbraw/zinc/18/62/26/566186226.db2.gz IHJOEDPHTVNAKU-QWHCGFSZSA-N 1 0 380.432 2.734 20 0 GFADRO Cc1nnc(CC(=O)NC[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)s1 ZINC000613130106 566186233 /nfs/dbraw/zinc/18/62/33/566186233.db2.gz XHVVAUXTEYVIJG-SJCJKPOMSA-N 1 0 382.892 2.991 20 0 GFADRO O=S1(=O)CCC[C@H]([NH2+][C@@H]2CCN(c3ccccc3Br)C2)CC1 ZINC000634960724 566186312 /nfs/dbraw/zinc/18/63/12/566186312.db2.gz ATCYZNGBTKBVFD-UONOGXRCSA-N 1 0 387.343 2.585 20 0 GFADRO CCC(=O)N1CCC([NH2+]C[C@@H](CO)Cc2cccc(Br)c2)CC1 ZINC000683206166 566189021 /nfs/dbraw/zinc/18/90/21/566189021.db2.gz NIAUCPDVUGYUME-HNNXBMFYSA-N 1 0 383.330 2.591 20 0 GFADRO O=C1CN(Cc2cccc(Br)c2)C(=O)N1[C@H]1CC[N@H+](CC2CC2)C1 ZINC000683284913 566192291 /nfs/dbraw/zinc/19/22/91/566192291.db2.gz DWMPTIAKSUODLH-INIZCTEOSA-N 1 0 392.297 2.698 20 0 GFADRO CN(Cc1ccc(Br)s1)C(=O)C(C)(C)C[NH+]1CCOCC1 ZINC000635119818 566194097 /nfs/dbraw/zinc/19/40/97/566194097.db2.gz RAEGFLQGHXRZMR-UHFFFAOYSA-N 1 0 375.332 2.827 20 0 GFADRO C[C@H](C[NH+]1CCCCC1)NS(=O)(=O)Cc1cc(F)ccc1Br ZINC000656966365 566196577 /nfs/dbraw/zinc/19/65/77/566196577.db2.gz RZQXYYZRHMXXQK-GFCCVEGCSA-N 1 0 393.322 2.882 20 0 GFADRO CC(C)[N@@H+]1CC[C@@H](N(C)S(=O)(=O)Cc2cc(F)ccc2Br)C1 ZINC000657008713 566205243 /nfs/dbraw/zinc/20/52/43/566205243.db2.gz ASBYWHWRJDUIPA-CQSZACIVSA-N 1 0 393.322 2.833 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@@H](CNS(=O)(=O)c2ccc(OCC(F)F)cc2)C1 ZINC000657033906 566209814 /nfs/dbraw/zinc/20/98/14/566209814.db2.gz PPQAUJNVIWNCCC-ZDUSSCGKSA-N 1 0 376.469 2.729 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@@H](NS(=O)(=O)c2cccc(Br)c2F)C1 ZINC000657059783 566214542 /nfs/dbraw/zinc/21/45/42/566214542.db2.gz AFJWDMBQVXZUAW-SNVBAGLBSA-N 1 0 379.295 2.739 20 0 GFADRO Cc1cc(S(=O)(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)sc1Br ZINC000657062793 566215908 /nfs/dbraw/zinc/21/59/08/566215908.db2.gz TUWNOBOLYGITDA-SNVBAGLBSA-N 1 0 381.361 2.970 20 0 GFADRO COc1ccc(Br)c(S(=O)(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)c1 ZINC000657061272 566216300 /nfs/dbraw/zinc/21/63/00/566216300.db2.gz KZPZSPQQWVHOEY-NSHDSACASA-N 1 0 391.331 2.609 20 0 GFADRO C[C@H](CCNS(=O)(=O)c1c(Cl)cc(F)cc1Br)[NH+](C)C ZINC000657091468 566221662 /nfs/dbraw/zinc/22/16/62/566221662.db2.gz OFHOZDCBIFHOKS-MRVPVSSYSA-N 1 0 387.702 2.860 20 0 GFADRO Cc1cc(S(=O)(=O)NCC2CC[NH+](Cc3ccncc3)CC2)c(C)s1 ZINC000657108092 566224112 /nfs/dbraw/zinc/22/41/12/566224112.db2.gz OZPFDVWLDIZLOK-UHFFFAOYSA-N 1 0 379.551 2.950 20 0 GFADRO C[N@@H+]1CCC[C@H](NC(=O)N[C@H](CO)c2ccc(Cl)cc2C(F)(F)F)C1 ZINC000684367307 566234558 /nfs/dbraw/zinc/23/45/58/566234558.db2.gz AEOBWBAVMPJBDU-SMDDNHRTSA-N 1 0 379.810 2.786 20 0 GFADRO COc1cc(C[NH2+]C[C@H]2CCO[C@@H]2C(C)(C)C)cc(Cl)c1OCC(N)=O ZINC000189237977 570749802 /nfs/dbraw/zinc/74/98/02/570749802.db2.gz ZAAITMOVXXJTMG-ACJLOTCBSA-N 1 0 384.904 2.754 20 0 GFADRO CN(C)c1cc(C(=O)N2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)nc2ccccc21 ZINC000333246134 570750324 /nfs/dbraw/zinc/75/03/24/570750324.db2.gz FTVXSYBNFKFQBE-HRAATJIYSA-N 1 0 382.508 2.659 20 0 GFADRO O=S(=O)(c1csc2ccccc21)N1CCC(n2ncc3c2C[NH2+]C3)CC1 ZINC000333593615 570813102 /nfs/dbraw/zinc/81/31/02/570813102.db2.gz PLWZLODRVGHGAP-UHFFFAOYSA-N 1 0 388.518 2.727 20 0 GFADRO C[C@@]1(c2ccccc2)CCC[N@H+](CC(=O)NCc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000736229215 598832733 /nfs/dbraw/zinc/83/27/33/598832733.db2.gz MGGFJQLLBWSJOZ-JOCHJYFZSA-N 1 0 390.491 2.537 20 0 GFADRO C[C@H]([NH2+]C1(CNCc2ccc(-c3nn[nH]n3)cc2)CCOCC1)c1ccccc1 ZINC000736132926 598887077 /nfs/dbraw/zinc/88/70/77/598887077.db2.gz PSOQYKBJAMUJAC-KRWDZBQOSA-N 1 0 392.507 2.856 20 0 GFADRO OCCC[N@H+](CCOc1cccc(-c2nn[nH]n2)c1)[C@H]1CCc2ccccc21 ZINC000738393356 598898110 /nfs/dbraw/zinc/89/81/10/598898110.db2.gz IINYIUBRSZOHOQ-FQEVSTJZSA-N 1 0 379.464 2.617 20 0 GFADRO CC[C@H]1c2ccccc2CC[N@H+]1C[C@@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000736405238 598916960 /nfs/dbraw/zinc/91/69/60/598916960.db2.gz DXPKSWDYZOQTBS-XLIONFOSSA-N 1 0 379.464 2.616 20 0 GFADRO O=C1[C@@H]([N@@H+]2CCC[C@]3(CC=CCC3)C2)CCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000738290130 598919802 /nfs/dbraw/zinc/91/98/02/598919802.db2.gz NEMQPHXUDNBSAW-GHTZIAJQSA-N 1 0 378.480 2.794 20 0 GFADRO O=C(C=Cc1ccccc1-c1nn[nH]n1)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000737804018 598928264 /nfs/dbraw/zinc/92/82/64/598928264.db2.gz XWBTXGFKANWODY-SYGIOELKSA-N 1 0 388.475 2.661 20 0 GFADRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)c1sccc1-c1nn[nH]n1 ZINC000736286326 598943448 /nfs/dbraw/zinc/94/34/48/598943448.db2.gz BQNQFDWXWOJMLB-AWEZNQCLSA-N 1 0 382.493 2.665 20 0 GFADRO C[NH+](C)[C@@H](CNc1c2ccccc2nnc1-c1nn[nH]n1)c1cccc(F)c1 ZINC000736760163 598954708 /nfs/dbraw/zinc/95/47/08/598954708.db2.gz QCDFTLXMLPIRQE-INIZCTEOSA-N 1 0 378.415 2.664 20 0 GFADRO CCCC[N@H+](C)CC1CCN(c2c3ccccc3nnc2-c2nn[nH]n2)CC1 ZINC000736453914 598960264 /nfs/dbraw/zinc/96/02/64/598960264.db2.gz STURGIHQDPIWII-UHFFFAOYSA-N 1 0 380.500 2.758 20 0 GFADRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+]2C[C@H](C)C[C@@H]2C)c1-c1nn[nH]n1 ZINC000737202495 598990345 /nfs/dbraw/zinc/99/03/45/598990345.db2.gz MWMSWWICYNHUGD-OLZOCXBDSA-N 1 0 397.483 2.595 20 0 GFADRO CCC[N@H+](CC(=O)Nc1sccc1-c1nn[nH]n1)[C@H]1C[C@@H](OCC)C1(C)C ZINC000736471886 598992974 /nfs/dbraw/zinc/99/29/74/598992974.db2.gz XPPBWSLFEQPCLB-UONOGXRCSA-N 1 0 392.529 2.782 20 0 GFADRO O=C(NCc1cccc(C[NH+]2CCCCCC2)c1)c1ccc(-c2nn[nH]n2)nc1 ZINC000738117982 599027101 /nfs/dbraw/zinc/02/71/01/599027101.db2.gz ZYGSHNZOYZYWKN-UHFFFAOYSA-N 1 0 391.479 2.568 20 0 GFADRO C[N@H+](CCNc1nc(C(F)(F)F)ccc1-c1nn[nH]n1)Cc1ccccc1 ZINC000736799575 599047178 /nfs/dbraw/zinc/04/71/78/599047178.db2.gz AHDTXYFKCSXPKH-UHFFFAOYSA-N 1 0 377.374 2.824 20 0 GFADRO NC(=O)[C@@H](c1ccc(-c2nn[nH]n2)cc1)[N@@H+]1CCC[C@@H](c2ccccc2)CC1 ZINC000737739973 599073813 /nfs/dbraw/zinc/07/38/13/599073813.db2.gz SBEIWWYQVVFBTA-VQIMIIECSA-N 1 0 376.464 2.663 20 0 GFADRO C[N@@H+]1CCC[C@H](CNC(=O)Cc2ccc(-c3nn[nH]n3)cc2)[C@H]1c1cccs1 ZINC000736858181 599085509 /nfs/dbraw/zinc/08/55/09/599085509.db2.gz QWGCCFIWLBZQBN-APWZRJJASA-N 1 0 396.520 2.670 20 0 GFADRO CN(C)c1cccc(CN2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)c1 ZINC000736780213 599123836 /nfs/dbraw/zinc/12/38/36/599123836.db2.gz OMYDOCKDYZABFR-UHFFFAOYSA-N 1 0 391.523 2.641 20 0 GFADRO COc1cc(-c2nn[nH]n2)ccc1OCC[N@@H+]1CC[C@H](Cc2ccccc2)C1 ZINC000737033329 599136771 /nfs/dbraw/zinc/13/67/71/599136771.db2.gz UGMISIUWWYIFQO-QGZVFWFLSA-N 1 0 379.464 2.819 20 0 GFADRO C[C@@H](C(=O)Nc1cccc(-c2nn[nH]n2)c1)[N@@H+]1CC[C@H](Cc2ccccc2)C1 ZINC000735560389 599137721 /nfs/dbraw/zinc/13/77/21/599137721.db2.gz RNXJHZARHTYCHT-DOTOQJQBSA-N 1 0 376.464 2.758 20 0 GFADRO CCc1ccc([C@@H]2CCCC[N@@H+]2C[C@@H](O)COc2ccc(-c3nn[nH]n3)cc2)o1 ZINC000736688170 599138609 /nfs/dbraw/zinc/13/86/09/599138609.db2.gz UUNQEAJMHHEIMS-APWZRJJASA-N 1 0 397.479 2.989 20 0 GFADRO C[C@H]1CCC[C@H](C)[N@H+](CC(=O)Nc2c(-c3nn[nH]n3)cnn2-c2ccccc2)C1 ZINC000736243991 599139820 /nfs/dbraw/zinc/13/98/20/599139820.db2.gz BTKGUVPRGYBCBB-GJZGRUSLSA-N 1 0 394.483 2.501 20 0 GFADRO CC[NH+](CC)Cc1ccc(C(=O)NCc2cc(-c3nn[nH]n3)ccc2F)cc1 ZINC000821198400 599168268 /nfs/dbraw/zinc/16/82/68/599168268.db2.gz UCKPPZZIEHFTEL-UHFFFAOYSA-N 1 0 382.443 2.778 20 0 GFADRO Cc1cccc2c1ncc(-c1nn[nH]n1)c2NCC[N@@H+]1CCc2ccccc2C1 ZINC000737410898 599268387 /nfs/dbraw/zinc/26/83/87/599268387.db2.gz VOHHOZIJGCIUEL-UHFFFAOYSA-N 1 0 385.475 2.615 20 0 GFADRO CCOC(=O)CCCCC[NH+]1CCC(Oc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736591676 599270472 /nfs/dbraw/zinc/27/04/72/599270472.db2.gz GWMFGXQMSAWOEN-UHFFFAOYSA-N 1 0 387.484 2.833 20 0 GFADRO Cc1ccc(-c2nn[nH]n2)cc1NC(=O)N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC000822217917 599272874 /nfs/dbraw/zinc/27/28/74/599272874.db2.gz RRFLTFWCLVEUOO-GOSISDBHSA-N 1 0 391.479 2.913 20 0 GFADRO c1ccc(C[N@@H+]2CCC[C@@H](Nc3c(-c4nn[nH]n4)cnc4ccccc43)C2)cc1 ZINC000738432612 599274800 /nfs/dbraw/zinc/27/48/00/599274800.db2.gz JXMVEKIABALHHC-QGZVFWFLSA-N 1 0 385.475 2.913 20 0 GFADRO CC(C)[NH+]1CCC(N2CCN(c3ccc(-c4nn[nH]n4)c(Cl)c3)CC2)CC1 ZINC000820129023 607331789 /nfs/dbraw/zinc/33/17/89/607331789.db2.gz VUFGWVMVBGPLGO-UHFFFAOYSA-N 1 0 389.935 2.515 20 0 GFADRO Cc1ccc([C@@H](CNC(=O)C=Cc2ccccc2-c2nn[nH]n2)[NH+]2CCCC2)o1 ZINC000737320270 598234274 /nfs/dbraw/zinc/23/42/74/598234274.db2.gz JSJRSKDEBMBHTE-LECLMCCNSA-N 1 0 392.463 2.735 20 0 GFADRO O=C(C[NH2+][C@H](c1ccc(F)cc1)C1CCC1)NCc1cccc(-c2nn[nH]n2)c1 ZINC000737892076 598248430 /nfs/dbraw/zinc/24/84/30/598248430.db2.gz SRRKRDCZJIILFY-FQEVSTJZSA-N 1 0 394.454 2.753 20 0 GFADRO c1cnn(CCCCC[NH+]2CCC(Oc3ccc(-c4nn[nH]n4)cc3)CC2)c1 ZINC000738449840 598248470 /nfs/dbraw/zinc/24/84/70/598248470.db2.gz WULSBDUSUOMWQS-UHFFFAOYSA-N 1 0 381.484 2.777 20 0 GFADRO O[C@@H](C[NH2+][C@H](c1ccccc1)C1CCC1)COc1ccc(-c2nn[nH]n2)cc1 ZINC000738382985 598248578 /nfs/dbraw/zinc/24/85/78/598248578.db2.gz UONFPFGGXSYXHG-AZUAARDMSA-N 1 0 379.464 2.737 20 0 GFADRO CC(C)Oc1ccccc1C[NH+]1CCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000735913972 598251327 /nfs/dbraw/zinc/25/13/27/598251327.db2.gz OUBIVHANSDXMEL-UHFFFAOYSA-N 1 0 378.480 2.976 20 0 GFADRO Cc1cc(OCc2cccc(-c3nn[nH]n3)c2)ccc1NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000737278781 598260626 /nfs/dbraw/zinc/26/06/26/598260626.db2.gz FDXSGGSRDWAQRP-KRWDZBQOSA-N 1 0 392.463 2.644 20 0 GFADRO C[C@@H]1C[NH+](CCCNc2ccc(-c3nn[nH]n3)c(C(F)(F)F)c2)C[C@@H](C)O1 ZINC000736284897 598274828 /nfs/dbraw/zinc/27/48/28/598274828.db2.gz HLWMKLUVGUQOLL-VXGBXAGGSA-N 1 0 384.406 2.797 20 0 GFADRO C[C@@H]([NH2+]Cc1cccc(-c2nn[nH]n2)c1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000736133175 598274988 /nfs/dbraw/zinc/27/49/88/598274988.db2.gz FWGDZAMRVHPXDY-PBHICJAKSA-N 1 0 386.500 2.992 20 0 GFADRO C[C@@H](CNC(=O)Nc1cc(-c2nn[nH]n2)cn1C(C)(C)C)C[NH+]1CCCCC1 ZINC000736017609 598279364 /nfs/dbraw/zinc/27/93/64/598279364.db2.gz QUHBUGVWENEFRZ-AWEZNQCLSA-N 1 0 388.520 2.667 20 0 GFADRO Cc1ccc([C@@H](CNC(=O)Nc2cccc(-c3nn[nH]n3)c2)[NH+]2CCCC2)o1 ZINC000737322264 598282635 /nfs/dbraw/zinc/28/26/35/598282635.db2.gz XEAVWGMXJZBBDI-MRXNPFEDSA-N 1 0 381.440 2.727 20 0 GFADRO CC[C@H](CNC(=S)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)[NH+]1CCCC1 ZINC000736349712 598320168 /nfs/dbraw/zinc/32/01/68/598320168.db2.gz JHMKTHARDKCWRS-GFCCVEGCSA-N 1 0 379.921 2.681 20 0 GFADRO C[NH+](C)C1(CNC(=S)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)CCCC1 ZINC000736757691 598322728 /nfs/dbraw/zinc/32/27/28/598322728.db2.gz WRPRGPIZVKNRJH-UHFFFAOYSA-N 1 0 379.921 2.681 20 0 GFADRO CCN(C(=S)NCC(C)(C)C[NH+](C)C)[C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000736508851 598416929 /nfs/dbraw/zinc/41/69/29/598416929.db2.gz OYDLMIUXGRTDGK-AWEZNQCLSA-N 1 0 389.573 2.712 20 0 GFADRO O=C(CC[N@H+]1CC[C@@H](c2ccccc2F)C1)Nc1sccc1-c1nn[nH]n1 ZINC000737838213 598418438 /nfs/dbraw/zinc/41/84/38/598418438.db2.gz KPVDCJPVVDPSCN-GFCCVEGCSA-N 1 0 386.456 2.885 20 0 GFADRO C[C@H](C[N@H+](C)[C@@H]1CCN(c2ccc(-c3nn[nH]n3)cc2)C1=O)c1ccccc1 ZINC000735999236 598461941 /nfs/dbraw/zinc/46/19/41/598461941.db2.gz CJOIXLQAGHEIPP-DNVCBOLYSA-N 1 0 376.464 2.708 20 0 GFADRO C[C@@H](NC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1)c1ccc(-c2nn[nH]n2)cc1 ZINC000736111831 598483201 /nfs/dbraw/zinc/48/32/01/598483201.db2.gz FZMJOWPEMDZJGT-QAPCUYQASA-N 1 0 383.500 2.588 20 0 GFADRO Clc1cccc(NCC2([NH+]3CCOCC3)CCCCC2)c1-c1nn[nH]n1 ZINC000737576508 598493356 /nfs/dbraw/zinc/49/33/56/598493356.db2.gz YAYCQVXLBSWIRT-UHFFFAOYSA-N 1 0 376.892 2.967 20 0 GFADRO Cc1cc(NC[C@H](C)[N@H+](C)C2CC2)n2c3ccccc3nc2c1-c1nn[nH]n1 ZINC000737274620 598523449 /nfs/dbraw/zinc/52/34/49/598523449.db2.gz PGDXBZVEVWXIRY-ZDUSSCGKSA-N 1 0 376.468 2.871 20 0 GFADRO CCC(CC)[C@H]([NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1cccs1 ZINC000736337284 598527563 /nfs/dbraw/zinc/52/75/63/598527563.db2.gz JJFOKNAHTFMSCU-LRDDRELGSA-N 1 0 386.529 2.934 20 0 GFADRO Fc1ccc([C@H]([NH2+]C[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)C2CCCC2)cc1 ZINC000737652525 598528181 /nfs/dbraw/zinc/52/81/81/598528181.db2.gz UVWKRFREWPWXMR-SCLBCKFNSA-N 1 0 396.474 2.765 20 0 GFADRO CC(C)[N@H+](C)CC(=O)Nc1ccc(OCc2cccc(-c3nn[nH]n3)c2)cc1 ZINC000735856090 598549089 /nfs/dbraw/zinc/54/90/89/598549089.db2.gz BMEUEAUKTOKZMA-UHFFFAOYSA-N 1 0 380.452 2.724 20 0 GFADRO CCCC[N@H+](CCOC)CCC(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000736457722 598595281 /nfs/dbraw/zinc/59/52/81/598595281.db2.gz YNSNPDHDZTZVSR-UHFFFAOYSA-N 1 0 380.880 2.597 20 0 GFADRO CC[NH+](CC)[C@H](CNC(=O)Nc1ccc(F)c(-c2nn[nH]n2)c1)CC(C)C ZINC000736534452 598630882 /nfs/dbraw/zinc/63/08/82/598630882.db2.gz OPIXKSITYIVMPN-AWEZNQCLSA-N 1 0 377.468 2.884 20 0 GFADRO O=C(C=Cc1ccccc1-c1nn[nH]n1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000737803070 598669269 /nfs/dbraw/zinc/66/92/69/598669269.db2.gz ZXQBDFSPUWWAAP-YUIUBULTSA-N 1 0 394.523 2.995 20 0 GFADRO O=C(CSc1ccc(-c2nn[nH]n2)cc1)NCCCCC[NH+]1CCCCC1 ZINC000737941396 598670336 /nfs/dbraw/zinc/67/03/36/598670336.db2.gz MXCAEJMRPKFROD-UHFFFAOYSA-N 1 0 388.541 2.731 20 0 GFADRO O[C@H](C[NH+]1CCC(CNc2ccc(-c3nn[nH]n3)cc2)CC1)c1ccccc1 ZINC000738382978 598673368 /nfs/dbraw/zinc/67/33/68/598673368.db2.gz UNBSSOWRFNQGFN-HXUWFJFHSA-N 1 0 378.480 2.724 20 0 GFADRO C[C@@H](c1ccc(-c2nn[nH]n2)cc1)[N@H+](C)CCn1cc(Br)cn1 ZINC000736197689 598701240 /nfs/dbraw/zinc/70/12/40/598701240.db2.gz NSEVJCTUWRZNPB-NSHDSACASA-N 1 0 376.262 2.519 20 0 GFADRO C[NH+]1CCC(Nc2ccccc2NC(=O)Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736857949 598717925 /nfs/dbraw/zinc/71/79/25/598717925.db2.gz VMLVMDVMVPZQRL-UHFFFAOYSA-N 1 0 391.479 2.554 20 0 GFADRO O=C(CC[N@@H+]1CCC[C@H]1c1ccc[nH]1)Nc1sc2c(c1-c1nn[nH]n1)CCC2 ZINC000737845336 598759330 /nfs/dbraw/zinc/75/93/30/598759330.db2.gz ZFBAYKMOIPZMAH-AWEZNQCLSA-N 1 0 397.508 2.911 20 0 GFADRO Fc1cc(F)c2ncc(-c3nn[nH]n3)c(NC3CC[NH+](CC4CC4)CC3)c2c1 ZINC000737643280 598772045 /nfs/dbraw/zinc/77/20/45/598772045.db2.gz DZPCIAGHEQHKEU-UHFFFAOYSA-N 1 0 385.422 2.979 20 0 GFADRO CC(C)[C@@H](c1ccccc1)[N@H+](C)C[C@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000735737116 598796634 /nfs/dbraw/zinc/79/66/34/598796634.db2.gz YYWGFWAVHUPULT-ICSRJNTNSA-N 1 0 381.480 2.936 20 0 GFADRO O=C(NCCC[NH+]1CCCCC1)Nc1ccc(-c2nn[nH]n2)c(C(F)(F)F)c1 ZINC000823192251 599295570 /nfs/dbraw/zinc/29/55/70/599295570.db2.gz UTGYZWYZVIKRRD-UHFFFAOYSA-N 1 0 397.405 2.883 20 0 GFADRO O=C(CC[N@@H+](Cc1cccc(F)c1)C1CC1)Nc1cccc(-c2nn[nH]n2)c1 ZINC000822965056 599304945 /nfs/dbraw/zinc/30/49/45/599304945.db2.gz YJEYYNAMURXNCE-UHFFFAOYSA-N 1 0 380.427 2.999 20 0 GFADRO Cc1cc(N2CCC[C@@H]([NH2+][C@H](C)c3ccc(-c4nn[nH]n4)cc3)C2)nc(C)n1 ZINC000737272017 599317457 /nfs/dbraw/zinc/31/74/57/599317457.db2.gz OZZLGZKUSOQBAQ-RDTXWAMCSA-N 1 0 378.484 2.593 20 0 GFADRO CCC[C@@H](CCc1ccccc1)[NH2+][C@@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821021842 599380622 /nfs/dbraw/zinc/38/06/22/599380622.db2.gz PGOCBGHLIYVXOO-RBUKOAKNSA-N 1 0 378.480 2.784 20 0 GFADRO CC(C)(C)[NH2+]CCNC(=O)c1cccc(COc2cccc(-c3nn[nH]n3)c2)c1 ZINC000819922068 599381704 /nfs/dbraw/zinc/38/17/04/599381704.db2.gz GCEZRMJGRSTIRV-UHFFFAOYSA-N 1 0 394.479 2.564 20 0 GFADRO COc1ccc(C[NH2+]Cc2c(C)nn(-c3ccccc3)c2C)cc1-c1nn[nH]n1 ZINC000821814082 599396960 /nfs/dbraw/zinc/39/69/60/599396960.db2.gz UMMFJLHKSTZVED-UHFFFAOYSA-N 1 0 389.463 2.968 20 0 GFADRO c1ccc(CC[NH+]2CCN(c3cc(-c4nn[nH]n4)c4ccccc4n3)CC2)cc1 ZINC000738429317 599400564 /nfs/dbraw/zinc/40/05/64/599400564.db2.gz XBZXHTQCFZWAHP-UHFFFAOYSA-N 1 0 385.475 2.780 20 0 GFADRO COc1ccc(C[NH2+]Cc2ccc(OC3CCCC3)nc2)cc1-c1nn[nH]n1 ZINC000821818651 599407546 /nfs/dbraw/zinc/40/75/46/599407546.db2.gz WMNFGEXTYQDNHF-UHFFFAOYSA-N 1 0 380.452 2.882 20 0 GFADRO COc1ccc(C[NH2+][C@H](C)COc2ccc(F)cc2F)cc1-c1nn[nH]n1 ZINC000821804651 599414358 /nfs/dbraw/zinc/41/43/58/599414358.db2.gz OTHOABRYUZKEKI-LLVKDONJSA-N 1 0 375.379 2.711 20 0 GFADRO COc1ccc(C[NH2+][C@H](C)c2cccc(N3CCCC3=O)c2)cc1-c1nn[nH]n1 ZINC000821803305 599416953 /nfs/dbraw/zinc/41/69/53/599416953.db2.gz FFJFBYPOBHNLGJ-CQSZACIVSA-N 1 0 392.463 2.853 20 0 GFADRO C[C@@H](NC(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1cccc(-c2nn[nH]n2)c1 ZINC000820649914 599417227 /nfs/dbraw/zinc/41/72/27/599417227.db2.gz PCZOSGIHQYNLIN-OWCLPIDISA-N 1 0 385.516 2.595 20 0 GFADRO CN(C)c1ccc(N2CCC([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)CC2)cc1 ZINC000821589359 599452324 /nfs/dbraw/zinc/45/23/24/599452324.db2.gz KMZSRYQCMHYANP-UHFFFAOYSA-N 1 0 377.496 2.691 20 0 GFADRO CO[C@@H](C[NH2+]Cc1cnc2ccc(-c3nn[nH]n3)cn12)c1cccc(Cl)c1 ZINC000821677485 599463670 /nfs/dbraw/zinc/46/36/70/599463670.db2.gz YBOCGYNEUUZUKJ-INIZCTEOSA-N 1 0 383.843 2.645 20 0 GFADRO COc1ccc(C[NH2+][C@H](C)c2cccc(-n3ccnc3)c2)cc1-c1nn[nH]n1 ZINC000821803180 599464114 /nfs/dbraw/zinc/46/41/14/599464114.db2.gz CZMDDVZOINDTBX-CQSZACIVSA-N 1 0 375.436 2.912 20 0 GFADRO C[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@@H+]1CC(=O)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000736234765 599477114 /nfs/dbraw/zinc/47/71/14/599477114.db2.gz KIWNBGKPQYLDQG-CZUORRHYSA-N 1 0 380.427 2.822 20 0 GFADRO CCCOc1ccc(C[NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)cc1OC ZINC000736490214 599484194 /nfs/dbraw/zinc/48/41/94/599484194.db2.gz INMIINKPPDMKSH-UHFFFAOYSA-N 1 0 393.451 2.602 20 0 GFADRO CC(C)(C)c1ccccc1OCC[NH2+]Cc1cnc2ccc(-c3nn[nH]n3)cn12 ZINC000735652425 599489581 /nfs/dbraw/zinc/48/95/81/599489581.db2.gz KTFSSWIWAAJSGO-UHFFFAOYSA-N 1 0 391.479 2.981 20 0 GFADRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N(Cc1ccc(-c2nn[nH]n2)cc1)C1CC1 ZINC000736398796 599506544 /nfs/dbraw/zinc/50/65/44/599506544.db2.gz DINAGQXULPUNDG-GOSISDBHSA-N 1 0 397.527 2.805 20 0 GFADRO C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1)c1cccc(-c2nn[nH]n2)c1 ZINC000820321930 599527503 /nfs/dbraw/zinc/52/75/03/599527503.db2.gz OELSZOQSSNQZQK-BEFAXECRSA-N 1 0 376.464 2.709 20 0 GFADRO CC(C)[C@@H](C[NH+](C)C)NC(=O)c1cccc(Nc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000735709103 599569264 /nfs/dbraw/zinc/56/92/64/599569264.db2.gz OTFQTZGEVWWIGW-LJQANCHMSA-N 1 0 393.495 2.926 20 0 GFADRO c1ccc(COC[C@@H]2CC[N@@H+](CCOc3ccc(-c4nn[nH]n4)cc3)C2)cc1 ZINC000823787634 599584539 /nfs/dbraw/zinc/58/45/39/599584539.db2.gz OCDYAFJSABHDOW-GOSISDBHSA-N 1 0 379.464 2.784 20 0 GFADRO C[C@@H]1C[C@@H](c2ccccc2F)[N@H+](C[C@H](O)COc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000820668537 599584916 /nfs/dbraw/zinc/58/49/16/599584916.db2.gz UKVXMLFKLHQUBY-IIMJZQEZSA-N 1 0 397.454 2.829 20 0 GFADRO CC[N@H+](CCC(=O)Nc1cccc(-c2nn[nH]n2)c1)C[C@@H](O)c1ccc(C)cc1 ZINC000821207014 599644767 /nfs/dbraw/zinc/64/47/67/599644767.db2.gz IBEHKIDWHVBIQU-LJQANCHMSA-N 1 0 394.479 2.559 20 0 GFADRO CCN(C(=O)CSCC[NH+](CC)CC)[C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000821198779 599692126 /nfs/dbraw/zinc/69/21/26/599692126.db2.gz VWWPEUIERFEQEL-OAHLLOKOSA-N 1 0 390.557 2.851 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1cc(C(=O)[O-])ccc1C ZINC000737114522 599735079 /nfs/dbraw/zinc/73/50/79/599735079.db2.gz JRVWDIFMDSUVHX-KRWDZBQOSA-N 1 0 376.501 2.573 20 0 GFADRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)NC1(c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000824939886 607449995 /nfs/dbraw/zinc/44/99/95/607449995.db2.gz XOKBTURGOIEEIO-INIZCTEOSA-N 1 0 397.527 2.810 20 0 GFADRO C[C@@H]([C@H]1Cc2ccccc2O1)[N@H+](C)CCC(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000824377324 607472212 /nfs/dbraw/zinc/47/22/12/607472212.db2.gz BWFWYAJPIPZNBS-IFXJQAMLSA-N 1 0 392.463 2.519 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@@H+]1Cc1cc(-c2nn[nH]n2)ccc1F ZINC000824893936 607474701 /nfs/dbraw/zinc/47/47/01/607474701.db2.gz VVPOOPOANQPXGW-IUODEOHRSA-N 1 0 390.463 2.883 20 0 GFADRO c1c(CN2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c(-c2nn[nH]n2)c2ccccn12 ZINC000826524884 607479445 /nfs/dbraw/zinc/47/94/45/607479445.db2.gz NWZIAQJDWXKXJE-CRAIPNDOSA-N 1 0 377.496 2.568 20 0 GFADRO C[N@H+](CCOc1ccc(Br)cc1)Cc1ccnc(-c2nn[nH]n2)c1 ZINC000825946453 607483698 /nfs/dbraw/zinc/48/36/98/607483698.db2.gz YWKULFQCHLEDBT-UHFFFAOYSA-N 1 0 389.257 2.535 20 0 GFADRO CC[C@H]([NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)[C@@H](O)c1c(F)cccc1F ZINC000820925129 607485715 /nfs/dbraw/zinc/48/57/15/607485715.db2.gz DTWQELJAFVERIR-DOTOQJQBSA-N 1 0 377.370 2.886 20 0 GFADRO c1ccc(C[N@H+]2CCC[C@H]3CN(Cc4ccnc(-c5nn[nH]n5)c4)CC[C@H]32)cc1 ZINC000826521294 607515581 /nfs/dbraw/zinc/51/55/81/607515581.db2.gz HDGHBRAYFGDIJP-PZJWPPBQSA-N 1 0 389.507 2.748 20 0 GFADRO Cc1sc(C(=O)[O-])cc1C[NH+]1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000833032645 601643624 /nfs/dbraw/zinc/64/36/24/601643624.db2.gz KACCXKMXOFXMGI-UHFFFAOYSA-N 1 0 395.569 2.671 20 0 GFADRO CCC(CC)(CC(=O)[O-])[NH2+]CC(=O)N1CCC[N@H+](Cc2ccccc2C)CC1 ZINC000828796625 602210407 /nfs/dbraw/zinc/21/04/07/602210407.db2.gz LVEOHZGQGCCUJA-UHFFFAOYSA-N 1 0 389.540 2.652 20 0 GFADRO Cc1cc(-c2nn[nH]n2)ccc1C(=O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000826245484 607653369 /nfs/dbraw/zinc/65/33/69/607653369.db2.gz ZHNOSKXQEMFSAE-UHFFFAOYSA-N 1 0 376.464 2.523 20 0 GFADRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)Nc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000824777883 607674643 /nfs/dbraw/zinc/67/46/43/607674643.db2.gz KYQNAYFMYPGUTA-AWEZNQCLSA-N 1 0 392.467 2.609 20 0 GFADRO C[N@H+](CC1CC[NH+](C[C@H](O)c2ccccc2)CC1)[C@@H](C(=O)[O-])c1cccnc1 ZINC000833693275 604871362 /nfs/dbraw/zinc/87/13/62/604871362.db2.gz RNTMCVCCHACNQC-LEWJYISDSA-N 1 0 383.492 2.585 20 0 GFADRO C[C@H](c1ccc(C(=O)[O-])o1)[NH+]1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000833545858 605049116 /nfs/dbraw/zinc/04/91/16/605049116.db2.gz ASUDYTWOTCAGAW-MRXNPFEDSA-N 1 0 391.512 2.743 20 0 GFADRO Cc1cc(C(=O)NCC2([NH+]3CCCCC3)CCN(C)CC2)ccc1NC(=O)[O-] ZINC000829944726 605701793 /nfs/dbraw/zinc/70/17/93/605701793.db2.gz DLWUDXHLCMNIJP-UHFFFAOYSA-N 1 0 388.512 2.765 20 0 GFADRO O=C([O-])NC[C@@H]1CCCC[C@H]1[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000834224361 605915736 /nfs/dbraw/zinc/91/57/36/605915736.db2.gz YEWOTKWHWSVIBA-YSIASYRMSA-N 1 0 375.513 2.559 20 0 GFADRO C[N@H+](CCOc1ccc(-c2nn[nH]n2)cc1)[C@H]1CCCN(c2ccccc2)C1 ZINC000821603564 606078002 /nfs/dbraw/zinc/07/80/02/606078002.db2.gz DUMGGKWYYKUJSD-IBGZPJMESA-N 1 0 378.480 2.846 20 0 GFADRO C[C@@H](CCNC(=O)C=Cc1ccccc1-c1nn[nH]n1)[N@H+](C)Cc1ccccc1 ZINC000820241837 606103631 /nfs/dbraw/zinc/10/36/31/606103631.db2.gz IMEKHEBGWUHBTA-UJGDBWEASA-N 1 0 390.491 2.907 20 0 GFADRO Cc1cc(Oc2ccc(-c3nn[nH]n3)cc2)ccc1NC(=O)N(C)CC[NH+](C)C ZINC000822212001 606152468 /nfs/dbraw/zinc/15/24/68/606152468.db2.gz XYNRQZLKQIQUDX-UHFFFAOYSA-N 1 0 395.467 2.993 20 0 GFADRO Fc1cccc(F)c1CN1CCC[C@H]([NH2+]Cc2cc(-c3nn[nH]n3)cs2)C1 ZINC000822791700 606218896 /nfs/dbraw/zinc/21/88/96/606218896.db2.gz LTBWGEAHKRIKIU-ZDUSSCGKSA-N 1 0 390.463 2.961 20 0 GFADRO C[C@](CO)([NH2+]Cc1cc(-c2nn[nH]n2)cs1)c1cccc(C(F)(F)F)c1 ZINC000820280939 606219391 /nfs/dbraw/zinc/21/93/91/606219391.db2.gz PSOYPHXZUNUZOW-OAHLLOKOSA-N 1 0 383.399 2.944 20 0 GFADRO C[N@H+](Cc1ccccc1CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)C1CCCCC1 ZINC000821614724 606260601 /nfs/dbraw/zinc/26/06/01/606260601.db2.gz SCDGJLKKJZJTOQ-UHFFFAOYSA-N 1 0 393.495 2.889 20 0 GFADRO O=C(Nc1ccc(F)cc1-c1nn[nH]n1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000823343706 606263565 /nfs/dbraw/zinc/26/35/65/606263565.db2.gz DROKVWRSYSHTTJ-UHFFFAOYSA-N 1 0 380.427 2.857 20 0 GFADRO C[C@H]([NH2+][C@H]1CCN(c2sccc2-c2nn[nH]n2)C1=O)[C@@H](C)c1ccccc1 ZINC000820418537 606309076 /nfs/dbraw/zinc/30/90/76/606309076.db2.gz BFVUPDOURBFQDN-WWGRRREGSA-N 1 0 382.493 2.815 20 0 GFADRO COC(=O)[C@H](c1cccc(-c2nn[nH]n2)c1)[N@@H+]1C[C@H](c2ccccc2)C[C@@H]1C ZINC000821649718 606322610 /nfs/dbraw/zinc/32/26/10/606322610.db2.gz BUAQMICPOUJAHE-KYNGSXCRSA-N 1 0 377.448 2.959 20 0 GFADRO COC(=O)[C@H](c1cccc(-c2nn[nH]n2)c1)[N@@H+]1CC[C@@H](c2ccccc2)[C@H]1C ZINC000821652024 606336279 /nfs/dbraw/zinc/33/62/79/606336279.db2.gz KVTGLXLQZKRYKN-ZMYBRWDISA-N 1 0 377.448 2.959 20 0 GFADRO O=C(Nc1cccc(C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)c1)c1ccccn1 ZINC000823364068 606412131 /nfs/dbraw/zinc/41/21/31/606412131.db2.gz YBNQZWLQUJTFQL-UHFFFAOYSA-N 1 0 391.460 2.865 20 0 GFADRO O[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)c1ccc(OC(F)(F)F)cc1 ZINC000823689296 606415395 /nfs/dbraw/zinc/41/53/95/606415395.db2.gz DCSGRJLHCUCHKF-GFCCVEGCSA-N 1 0 385.371 2.650 20 0 GFADRO O[C@H]([C@@H](Cc1ccccc1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1)C(F)(F)F ZINC000823673754 606421037 /nfs/dbraw/zinc/42/10/37/606421037.db2.gz NKLJIQRTUXMVCG-TZMCWYRMSA-N 1 0 383.399 2.552 20 0 GFADRO C[NH+](C)CC1CCN(c2ccc(Nc3ncccc3-c3nn[nH]n3)cc2)CC1 ZINC000821583028 606432259 /nfs/dbraw/zinc/43/22/59/606432259.db2.gz GRAGCPWVUHCXBH-UHFFFAOYSA-N 1 0 378.484 2.783 20 0 GFADRO Cn1nccc1[C@H]1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2OC(F)F)C1 ZINC000822708705 606484435 /nfs/dbraw/zinc/48/44/35/606484435.db2.gz BBJSIIHLCOWOFT-ZDUSSCGKSA-N 1 0 389.410 2.581 20 0 GFADRO C[C@H](O)C[N@H+](Cc1ccc(-c2nn[nH]n2)cc1OC(F)F)C1CCCCC1 ZINC000820480563 606488136 /nfs/dbraw/zinc/48/81/36/606488136.db2.gz MAZKGFYXPKZBND-LBPRGKRZSA-N 1 0 381.427 2.984 20 0 GFADRO O=C(N[C@@H](C[NH+]1CCCCC1)c1ccccc1)c1cc(-c2nn[nH]n2)cs1 ZINC000823140311 606540675 /nfs/dbraw/zinc/54/06/75/606540675.db2.gz RZAYJDXQWMPANG-INIZCTEOSA-N 1 0 382.493 2.885 20 0 GFADRO C[C@@](CO)([NH2+]Cc1ccc(-c2nn[nH]n2)cc1OC(F)F)C1CCCCC1 ZINC000820280696 606598457 /nfs/dbraw/zinc/59/84/57/606598457.db2.gz MPUQEAYLCUOPLB-SFHVURJKSA-N 1 0 381.427 2.889 20 0 GFADRO C[C@@H]([NH2+][C@@H]1CCN(c2cccc(Cl)c2)C1=O)c1cccc(-c2nn[nH]n2)c1 ZINC000820418546 606624299 /nfs/dbraw/zinc/62/42/99/606624299.db2.gz BGJXDPHYJMKYIQ-SJKOYZFVSA-N 1 0 382.855 2.976 20 0 GFADRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)C1 ZINC000820648556 606672543 /nfs/dbraw/zinc/67/25/43/606672543.db2.gz BSMXSAHAVXBCLR-VXGBXAGGSA-N 1 0 392.454 2.631 20 0 GFADRO O=C(c1c(F)cc(-c2nn[nH]n2)cc1F)N1C[C@@H]2CCC[N@@H+]2Cc2ccccc21 ZINC000823453960 606672990 /nfs/dbraw/zinc/67/29/90/606672990.db2.gz GXOWMFXAPDXOJG-AWEZNQCLSA-N 1 0 396.401 2.770 20 0 GFADRO O=C(NC[C@H]1CCC[N@@H+]1Cc1ccccc1)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000823176710 606680310 /nfs/dbraw/zinc/68/03/10/606680310.db2.gz XCSIXQVPMACSAV-OAHLLOKOSA-N 1 0 398.417 2.539 20 0 GFADRO C[C@@H]([NH2+][C@H]1CCN(c2c(F)cccc2F)C1=O)c1cccc(-c2nn[nH]n2)c1 ZINC000820414260 606711622 /nfs/dbraw/zinc/71/16/22/606711622.db2.gz XEWARBWOHBRLJK-BZNIZROVSA-N 1 0 384.390 2.601 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCN(c2c(F)cccc2F)C1=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000820414351 606712091 /nfs/dbraw/zinc/71/20/91/606712091.db2.gz XXZADDQTQFMXDE-MEDUHNTESA-N 1 0 384.390 2.601 20 0 GFADRO CC[C@H]([NH2+]Cc1cc(-c2nn[nH]n2)cs1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000820926943 606742235 /nfs/dbraw/zinc/74/22/35/606742235.db2.gz XXKCPRHDSSVRHM-OALUTQOASA-N 1 0 398.536 2.697 20 0 GFADRO COc1ccc(C[NH2+]Cc2ccccc2-n2nc(C)cc2C)cc1-c1nn[nH]n1 ZINC000821818305 606742429 /nfs/dbraw/zinc/74/24/29/606742429.db2.gz OLSIFTSKBHIXRR-UHFFFAOYSA-N 1 0 389.463 2.968 20 0 GFADRO c1ccc(-c2ccc(C[N@@H+]3CCO[C@@H]([C@@H]4CCCO4)C3)cc2)c(-c2nn[nH]n2)c1 ZINC000823766446 606771059 /nfs/dbraw/zinc/77/10/59/606771059.db2.gz DGFXNIAOFLETNG-LEWJYISDSA-N 1 0 391.475 2.914 20 0 GFADRO COc1ccc(OC(F)F)c(C[NH2+]Cc2ccc(OC)c(-c3nn[nH]n3)c2)c1 ZINC000821837699 606772678 /nfs/dbraw/zinc/77/26/78/606772678.db2.gz FZXHTIKCBGHLFT-UHFFFAOYSA-N 1 0 391.378 2.775 20 0 GFADRO Cc1cc(-c2nn[nH]n2)ccc1Oc1ccc(C(=O)NC[C@@H](C)[NH+](C)C)cc1 ZINC000822145349 606786332 /nfs/dbraw/zinc/78/63/32/606786332.db2.gz QTAMQOXLBBCBPX-CQSZACIVSA-N 1 0 380.452 2.647 20 0 GFADRO CN(C(=O)Nc1ccc(F)cc1-c1nn[nH]n1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000821572060 606806569 /nfs/dbraw/zinc/80/65/69/606806569.db2.gz PUAVPMUIBZQXFP-INIZCTEOSA-N 1 0 395.442 2.744 20 0 GFADRO CCCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000821104979 606811476 /nfs/dbraw/zinc/81/14/76/606811476.db2.gz UGSCZWHPDCPSSG-YJBOKZPZSA-N 1 0 385.516 2.517 20 0 GFADRO CCO[C@H]1C[C@@H]([N@H+](C)Cn2ccc(-c3ccc(-c4nn[nH]n4)cc3)n2)C12CCC2 ZINC000821359290 606853748 /nfs/dbraw/zinc/85/37/48/606853748.db2.gz NJTVHUGIKUUZER-MOPGFXCFSA-N 1 0 393.495 2.967 20 0 GFADRO CCN(CC)[C@@H](C[NH2+]C[C@H](O)c1ccc(-c2nn[nH]n2)cc1)c1ccsc1 ZINC000821180248 606854154 /nfs/dbraw/zinc/85/41/54/606854154.db2.gz AROYDXLCFWDTFY-ROUUACIJSA-N 1 0 386.525 2.634 20 0 GFADRO C[N@@H+](Cc1csc(Br)c1)C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821616662 606857470 /nfs/dbraw/zinc/85/74/70/606857470.db2.gz BBXNYIZGWQSLIH-CYBMUJFWSA-N 1 0 394.298 2.856 20 0 GFADRO C[C@@H](C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)[N@H+](C)CCC1CCOCC1 ZINC000819867095 606880599 /nfs/dbraw/zinc/88/05/99/606880599.db2.gz RFGNLRMHFDAHBT-LBPRGKRZSA-N 1 0 392.891 2.596 20 0 GFADRO C[N@H+](C[C@H](O)c1ccc(-c2nn[nH]n2)cc1)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000821595225 606891417 /nfs/dbraw/zinc/89/14/17/606891417.db2.gz PRZZJDQAMIBUPF-PCCBWWKXSA-N 1 0 393.491 3.000 20 0 GFADRO COc1ccc(CC2CC[NH+](C[C@@H](O)c3ccc(-c4nn[nH]n4)cc3)CC2)cc1 ZINC000821791048 606892184 /nfs/dbraw/zinc/89/21/84/606892184.db2.gz ZUPMFOOQPFKBJU-OAQYLSRUSA-N 1 0 393.491 2.863 20 0 GFADRO Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1CCCOc1cccc(-c2nn[nH]n2)c1 ZINC000822486538 606895562 /nfs/dbraw/zinc/89/55/62/606895562.db2.gz NJSZIFKDUWJXDR-SFHVURJKSA-N 1 0 381.484 2.823 20 0 GFADRO FC(F)(F)CO[C@H]1CCC[N@H+](CCCOc2cccc(-c3nn[nH]n3)c2)C1 ZINC000822719132 606901698 /nfs/dbraw/zinc/90/16/98/606901698.db2.gz ZUNKVANUBUASPY-HNNXBMFYSA-N 1 0 385.390 2.679 20 0 GFADRO C[C@H]1C[C@H](NC(=O)Nc2ccc(F)c(-c3nn[nH]n3)c2)C[N@@H+]1Cc1ccccc1 ZINC000820656871 606907263 /nfs/dbraw/zinc/90/72/63/606907263.db2.gz HXXCSESCYJFIBM-BBRMVZONSA-N 1 0 395.442 2.790 20 0 GFADRO C[N@H+](C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1)[C@@H]1CCCN(c2ccccc2)C1 ZINC000821595025 606907865 /nfs/dbraw/zinc/90/78/65/606907865.db2.gz KNFQKQRKLMQLJL-WOJBJXKFSA-N 1 0 378.480 2.501 20 0 GFADRO O[C@@H](C[N@@H+]1CC[C@@H](OCCCc2ccccc2)C1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823675609 606910332 /nfs/dbraw/zinc/91/03/32/606910332.db2.gz YJFMKNWBCLPXTA-RTWAWAEBSA-N 1 0 393.491 2.624 20 0 GFADRO CCO[C@H]1C[C@@H]([N@H+](C)CCOc2ccc(-c3nn[nH]n3)cc2OC)C12CCC2 ZINC000821361877 606916881 /nfs/dbraw/zinc/91/68/81/606916881.db2.gz XPIYAJYOFYAERA-MSOLQXFVSA-N 1 0 387.484 2.534 20 0 GFADRO C[N@H+](Cc1ccc(F)c(-c2nn[nH]n2)c1)C1CCN(CCc2ccccn2)CC1 ZINC000821611001 606974347 /nfs/dbraw/zinc/97/43/47/606974347.db2.gz NIUAPTZOVNWGHM-UHFFFAOYSA-N 1 0 395.486 2.540 20 0 GFADRO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC000820384557 606983320 /nfs/dbraw/zinc/98/33/20/606983320.db2.gz ICAPRCBFZHMQTC-CABCVRRESA-N 1 0 386.500 2.992 20 0 GFADRO CC[C@H]([NH2+]C1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1)c1ccc(OC)cc1 ZINC000820925091 607046463 /nfs/dbraw/zinc/04/64/63/607046463.db2.gz DCJRCFGMYXMIHO-IBGZPJMESA-N 1 0 393.495 2.980 20 0 GFADRO COc1ccc([C@@H](C)[NH2+]C2CCN(c3ccc(-c4nn[nH]n4)cn3)CC2)c(F)c1 ZINC000821777775 607047237 /nfs/dbraw/zinc/04/72/37/607047237.db2.gz MJTQXYTYGRVNMK-CYBMUJFWSA-N 1 0 397.458 2.729 20 0 GFADRO CCOc1ccc([C@@H](C)[NH2+]C2CCN(c3ccc(-c4nn[nH]n4)cn3)CC2)cc1 ZINC000821417354 607048329 /nfs/dbraw/zinc/04/83/29/607048329.db2.gz MFPAEJWENANCOR-OAHLLOKOSA-N 1 0 393.495 2.980 20 0 GFADRO C[N@H+](Cc1cc(F)ccc1-c1nn[nH]n1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000821607549 607066132 /nfs/dbraw/zinc/06/61/32/607066132.db2.gz TXFRTTDWHHIJCH-UHFFFAOYSA-N 1 0 394.454 2.742 20 0 GFADRO C[C@H](Cc1ccc(O)cc1)[N@H+](C)Cc1nnc(-c2ccc(-c3nn[nH]n3)cc2)o1 ZINC000820300628 607078200 /nfs/dbraw/zinc/07/82/00/607078200.db2.gz RXZUJISKBOWWRK-CYBMUJFWSA-N 1 0 391.435 2.685 20 0 GFADRO C[C@H](NC(=O)N1CC[NH+](C2CCCCC2)CC1)c1cccc(-c2nn[nH]n2)c1 ZINC000820348825 607108350 /nfs/dbraw/zinc/10/83/50/607108350.db2.gz GBAKJYNHBGVLFI-HNNXBMFYSA-N 1 0 383.500 2.588 20 0 GFADRO C[NH+](C)CCN(C(=O)Nc1ccc(-c2nn[nH]n2)cc1Cl)C1CCCC1 ZINC000821584677 607197401 /nfs/dbraw/zinc/19/74/01/607197401.db2.gz NSPOEHKSITYFMY-UHFFFAOYSA-N 1 0 377.880 2.858 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)Nc1ccc(-c2nn[nH]n2)cc1Cl)Cc1ccccc1 ZINC000821580061 607203296 /nfs/dbraw/zinc/20/32/96/607203296.db2.gz XZBNMXHAUYKQJS-HNNXBMFYSA-N 1 0 399.886 2.815 20 0 GFADRO Fc1ccc2c(c1)[C@@H]([NH+]1CCN(c3ccc(-c4nn[nH]n4)cn3)CC1)CCC2 ZINC000826375979 607794845 /nfs/dbraw/zinc/79/48/45/607794845.db2.gz JPICTNOZYSCDKK-SFHVURJKSA-N 1 0 379.443 2.600 20 0 GFADRO C[C@H]1C[C@@H](CCNC(=O)c2cc(-c3nn[nH]n3)cs2)C[N@@H+]1Cc1ccccc1 ZINC000824877232 607795809 /nfs/dbraw/zinc/79/58/09/607795809.db2.gz XHADJJHAFUCFDV-GOEBONIOSA-N 1 0 396.520 2.959 20 0 GFADRO Cc1nnc(NCC[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)c(-c2nn[nH]n2)c1C ZINC000826336057 607810242 /nfs/dbraw/zinc/81/02/42/607810242.db2.gz LMRHUFJZDMHSSO-KDOFPFPSSA-N 1 0 392.511 2.986 20 0 GFADRO Fc1cc2c(c(F)c1)CC[C@H]2[NH2+]C1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1 ZINC000826372845 607813083 /nfs/dbraw/zinc/81/30/83/607813083.db2.gz NXRHHFBNXGJMRO-GOSISDBHSA-N 1 0 397.433 2.786 20 0 GFADRO C[C@H]1C[NH+](C(C)(C)CNc2ccc3cc(-c4nn[nH]n4)ccc3n2)C[C@H](C)O1 ZINC000824978748 607839416 /nfs/dbraw/zinc/83/94/16/607839416.db2.gz WYVYOIJGTRHQAC-KBPBESRZSA-N 1 0 381.484 2.715 20 0 GFADRO CC[C@@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1c1cccc(-c2nn[nH]n2)n1 ZINC000825058834 607902954 /nfs/dbraw/zinc/90/29/54/607902954.db2.gz AOGCMQZYWDBFRW-DNVCBOLYSA-N 1 0 392.511 2.702 20 0 GFADRO CC[C@H]1C[N@H+](Cc2cccc(-c3nn[nH]n3)c2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000825211319 607942074 /nfs/dbraw/zinc/94/20/74/607942074.db2.gz MDMJDCFTRLMJKQ-DOTOQJQBSA-N 1 0 386.500 2.992 20 0 GFADRO C[C@@H]([NH2+][C@@H]1CCCN(Cc2ccccc2)C1=O)c1cccc(-c2nn[nH]n2)c1 ZINC000824545607 608015612 /nfs/dbraw/zinc/01/56/12/608015612.db2.gz DJHOGPOBHCSDES-DNVCBOLYSA-N 1 0 376.464 2.709 20 0 GFADRO COc1ccc([C@](C)(O)[C@@H]2CCC[N@@H+]2Cc2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000826188040 608064459 /nfs/dbraw/zinc/06/44/59/608064459.db2.gz MCCVEKLHPNNSPK-FPOVZHCZSA-N 1 0 379.464 2.747 20 0 GFADRO CC(C)c1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CNc3c(-c4nn[nH]n4)cnn3C1)CCC2 ZINC000824347454 608101595 /nfs/dbraw/zinc/10/15/95/608101595.db2.gz AYYBODAKEVAKIA-KUHUBIRLSA-N 1 0 392.511 2.896 20 0 GFADRO CN1CC[C@@H]([NH2+]Cc2cc(-c3nn[nH]n3)cs2)[C@H]1c1ccc(F)c(F)c1 ZINC000826028956 608113597 /nfs/dbraw/zinc/11/35/97/608113597.db2.gz LDBJSWDWAFNIIZ-HZPDHXFCSA-N 1 0 376.436 2.741 20 0 GFADRO Cc1ccc([C@H]2CC[N@@H+]([C@H](C)C(=O)Nc3cccc(-c4nn[nH]n4)c3)C2)cc1 ZINC000826285940 608126725 /nfs/dbraw/zinc/12/67/25/608126725.db2.gz OJNGLUGHBNUUCQ-QAPCUYQASA-N 1 0 376.464 2.992 20 0 GFADRO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2C[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C[C@H]21 ZINC000824109851 608129466 /nfs/dbraw/zinc/12/94/66/608129466.db2.gz XAXBXVATRXUHBB-KZNAEPCWSA-N 1 0 398.511 2.992 20 0 GFADRO C[C@H](CCNCc1cn(C)nc1-c1ccc(-c2nn[nH]n2)cc1)[NH+]1CCCCC1 ZINC000824400523 608136143 /nfs/dbraw/zinc/13/61/43/608136143.db2.gz IZSVNFVNXJJCHQ-MRXNPFEDSA-N 1 0 394.527 2.621 20 0 GFADRO Cc1ccc(-c2nn[nH]n2)c(N(C)CCC2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000826273568 608194544 /nfs/dbraw/zinc/19/45/44/608194544.db2.gz JMXYHXFJIUKIAC-UHFFFAOYSA-N 1 0 378.484 2.708 20 0 GFADRO C[C@@H]1[C@H](C)N(C(=O)c2cccc(Nc3ccc(-c4nn[nH]n4)cc3)c2)CC[N@H+]1C ZINC000824858032 608202068 /nfs/dbraw/zinc/20/20/68/608202068.db2.gz HBTLDLMURYTZNO-CABCVRRESA-N 1 0 391.479 2.775 20 0 GFADRO c1ccc(-c2nn[nH]n2)c(C[N@H+]2CC=C(c3ccc4c(c3)OCCO4)CC2)c1 ZINC000823868298 608208244 /nfs/dbraw/zinc/20/82/44/608208244.db2.gz VBANVGLKAKYXDN-UHFFFAOYSA-N 1 0 375.432 2.927 20 0 GFADRO O=C([C@H]1CC12CC[NH+](Cc1cc(F)ccc1-c1nn[nH]n1)CC2)N1CCCCC1 ZINC000826398540 608212735 /nfs/dbraw/zinc/21/27/35/608212735.db2.gz ZAAKUMMIRUABRG-GOSISDBHSA-N 1 0 398.486 2.620 20 0 GFADRO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]CCOc1ccc(-c2nn[nH]n2)cc1 ZINC000824985574 608280995 /nfs/dbraw/zinc/28/09/95/608280995.db2.gz XNFWVCPFPZXCMN-UTKZUKDTSA-N 1 0 392.507 2.746 20 0 GFADRO Cc1ccc(-c2nn[nH]n2)c(NCC2([NH2+][C@H](C)c3ccccc3)CCOCC2)n1 ZINC000826275988 608288492 /nfs/dbraw/zinc/28/84/92/608288492.db2.gz QRNBCJZBTVTSSQ-MRXNPFEDSA-N 1 0 393.495 2.882 20 0 GFADRO CC[N@H+](CC(=O)NCc1ccc(-c2ccccc2-c2nn[nH]n2)cc1)C1CC1 ZINC000825394738 608329412 /nfs/dbraw/zinc/32/94/12/608329412.db2.gz HBIUBASLKBSWDU-UHFFFAOYSA-N 1 0 376.464 2.634 20 0 GFADRO CC1(C)c2ccccc2CC[N@H+]1CCC(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000824816329 608330270 /nfs/dbraw/zinc/33/02/70/608330270.db2.gz CJDWZMXUAKMRCA-UHFFFAOYSA-N 1 0 376.464 2.989 20 0 GFADRO CCC[N@@H+]1CC[C@H](CNc2c(-c3nn[nH]n3)cnc3c(F)ccc(Cl)c32)C1 ZINC000825328848 608373859 /nfs/dbraw/zinc/37/38/59/608373859.db2.gz XWFYGJXKCAAMJS-LLVKDONJSA-N 1 0 389.866 2.773 20 0 GFADRO CC(C)C[C@@H](C[NH+](C)C)NC(=O)N1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000824235775 608417207 /nfs/dbraw/zinc/41/72/07/608417207.db2.gz JNCWVNRSSCUESQ-IBGZPJMESA-N 1 0 397.527 2.642 20 0 GFADRO CC[C@@H]([NH2+]Cc1cccc(C(=O)OC)c1-c1nn[nH]n1)c1ccc(OC)cc1 ZINC000825147287 608426140 /nfs/dbraw/zinc/42/61/40/608426140.db2.gz HKTWYSSXXJJADA-QGZVFWFLSA-N 1 0 381.436 2.903 20 0 GFADRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)N2CC=C(c3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC000825855579 608426399 /nfs/dbraw/zinc/42/63/99/608426399.db2.gz HVOVOLNJSOAXRK-MOPGFXCFSA-N 1 0 395.511 2.538 20 0 GFADRO C[NH+](C)C1CCN(c2ccc(NC(=O)c3ccc(-c4nn[nH]n4)cc3)cc2)CC1 ZINC000825856194 608430965 /nfs/dbraw/zinc/43/09/65/608430965.db2.gz RBUGUJVMQAIOSH-UHFFFAOYSA-N 1 0 391.479 2.649 20 0 GFADRO COc1cc(-c2nn[nH]n2)ccc1OCC[NH2+][C@@H](C)c1c(F)cccc1F ZINC000826176617 608433812 /nfs/dbraw/zinc/43/38/12/608433812.db2.gz WPAIMABUSZKSPK-NSHDSACASA-N 1 0 375.379 2.883 20 0 GFADRO CCOc1ccccc1[C@H](CC)[NH2+]C[C@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000825654139 608458261 /nfs/dbraw/zinc/45/82/61/608458261.db2.gz PKPUFSJLOAIBEL-LPHOPBHVSA-N 1 0 397.479 2.746 20 0 GFADRO O=c1[nH]c(CC[N@H+]2CC=C(c3ccc(-c4nn[nH]n4)cc3)CC2)nc2ccccc21 ZINC000826500952 608464370 /nfs/dbraw/zinc/46/43/70/608464370.db2.gz SRGPKNYLVQWFOY-UHFFFAOYSA-N 1 0 399.458 2.847 20 0 GFADRO Cc1cc(C)c(CCNC(=O)C[NH2+][C@@H](C)c2cccc(-c3nn[nH]n3)c2)c(C)c1 ZINC000826262988 608483682 /nfs/dbraw/zinc/48/36/82/608483682.db2.gz GWGNGYHXTYQCKB-KRWDZBQOSA-N 1 0 392.507 2.801 20 0 GFADRO COc1ccc(NC(=O)C[NH2+][C@H](C)c2cccc(-c3nn[nH]n3)c2)cc1Cl ZINC000826209744 608483812 /nfs/dbraw/zinc/48/38/12/608483812.db2.gz OOOSHRZVFKECHE-LLVKDONJSA-N 1 0 386.843 2.818 20 0 GFADRO CC(C)(C)C(=O)N1CCC([NH2+][C@H]2CCCc3cc(-c4nn[nH]n4)ccc32)CC1 ZINC000824065333 608501426 /nfs/dbraw/zinc/50/14/26/608501426.db2.gz XJBNZSUOFNTOAA-SFHVURJKSA-N 1 0 382.512 2.871 20 0 GFADRO COc1ccc(CN2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)cc1C ZINC000826194258 608507247 /nfs/dbraw/zinc/50/72/47/608507247.db2.gz HACPSYLGLRSGLY-UHFFFAOYSA-N 1 0 392.507 2.892 20 0 GFADRO COC1CCN(C(C)(C)C[NH2+][C@H]2CCCc3cc(-c4nn[nH]n4)ccc32)CC1 ZINC000826146697 608511230 /nfs/dbraw/zinc/51/12/30/608511230.db2.gz AHRSYFGMNMTVQR-IBGZPJMESA-N 1 0 384.528 2.723 20 0 GFADRO COc1cc(OC)cc([C@@H](O)C[NH2+][C@H]2CCCc3cc(-c4nn[nH]n4)ccc32)c1 ZINC000826181016 608512463 /nfs/dbraw/zinc/51/24/63/608512463.db2.gz IEHIICLIAYXFPI-PMACEKPBSA-N 1 0 395.463 2.585 20 0 GFADRO c1sc(C[N@@H+]2CCC[C@@H](c3nnc4n3CCCCC4)C2)cc1-c1nn[nH]n1 ZINC000826526717 608512646 /nfs/dbraw/zinc/51/26/46/608512646.db2.gz KASBLAYUTOICEB-CYBMUJFWSA-N 1 0 384.513 2.626 20 0 GFADRO CC[N@H+](Cc1cnc2ccc(-c3nn[nH]n3)cn12)[C@H](C)Cc1ccc(OC)cc1 ZINC000825443906 608516655 /nfs/dbraw/zinc/51/66/55/608516655.db2.gz HBABEEMRUVIEIV-OAHLLOKOSA-N 1 0 391.479 2.976 20 0 GFADRO Cc1cc(C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C2CC2)ccc1-n1cncn1 ZINC000826266725 608519516 /nfs/dbraw/zinc/51/95/16/608519516.db2.gz ZEHVGZWMEBGSJJ-UHFFFAOYSA-N 1 0 386.463 2.920 20 0 GFADRO O=C(CC[NH2+][C@H](c1ccccc1)[C@H]1CCOC1)Nc1sccc1-c1nn[nH]n1 ZINC000826407092 608526694 /nfs/dbraw/zinc/52/66/94/608526694.db2.gz ASGZUCIUAZQNAD-WMLDXEAASA-N 1 0 398.492 2.624 20 0 GFADRO O=S(=O)(CC[NH2+][C@@H](CC1CC1)c1ccccc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000826484646 608528253 /nfs/dbraw/zinc/52/82/53/608528253.db2.gz KMXDCWJTEMDDHJ-IBGZPJMESA-N 1 0 397.504 2.771 20 0 GFADRO O=S(=O)(CC[NH2+][C@H](CC1CC1)c1ccccc1)c1cccc(-c2nn[nH]n2)c1 ZINC000826484741 608528336 /nfs/dbraw/zinc/52/83/36/608528336.db2.gz NVUBQFCUJCDBLI-LJQANCHMSA-N 1 0 397.504 2.771 20 0 GFADRO O[C@H](C[NH2+]C1(c2cccc(-c3nn[nH]n3)c2)CC1)COc1ccc(Cl)cc1 ZINC000826502595 608531621 /nfs/dbraw/zinc/53/16/21/608531621.db2.gz GTWHKFBROYDZDU-MRXNPFEDSA-N 1 0 385.855 2.539 20 0 GFADRO CC(C)(C)OC(=O)NCC1CC[NH+](Cc2cc(-c3nn[nH]n3)cs2)CC1 ZINC000824109418 608533403 /nfs/dbraw/zinc/53/34/03/608533403.db2.gz PRJIVEGSFRQAMI-UHFFFAOYSA-N 1 0 378.502 2.665 20 0 GFADRO c1cn(C[NH+]2CCC(c3cccnc3)CC2)nc1-c1ccc(-c2nn[nH]n2)cc1 ZINC000826525556 608546800 /nfs/dbraw/zinc/54/68/00/608546800.db2.gz PIVXJNZZFUASMZ-UHFFFAOYSA-N 1 0 386.463 2.962 20 0 GFADRO COC(=O)C(C)(C)[C@@H]([NH2+]CCOc1ccccc1-c1nn[nH]n1)c1ccccc1 ZINC000826098852 608555055 /nfs/dbraw/zinc/55/50/55/608555055.db2.gz RISJKEBUVLEEGI-SFHVURJKSA-N 1 0 395.463 2.776 20 0 GFADRO COCC[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)C[C@@H]1CCOc2ccccc21 ZINC000826159104 608567774 /nfs/dbraw/zinc/56/77/74/608567774.db2.gz QSXQFFVNBHCUGD-SFHVURJKSA-N 1 0 379.464 2.881 20 0 GFADRO CN1C(=O)C[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)[C@H]1c1ccc(Cl)cc1 ZINC000826010098 608568627 /nfs/dbraw/zinc/56/86/27/608568627.db2.gz CNARMQDJIOBJGI-FUHWJXTLSA-N 1 0 382.855 2.582 20 0 GFADRO c1cc(OC2CC[NH+](Cc3ccc4c(c3)COC4)CC2)cc(-c2nn[nH]n2)c1 ZINC000826517884 608604349 /nfs/dbraw/zinc/60/43/49/608604349.db2.gz RUDHKZRSBNLSDK-UHFFFAOYSA-N 1 0 377.448 2.940 20 0 GFADRO CC(C)(C)OC(=O)N1CC[C@H]([N@H+](Cc2ccc(-c3nn[nH]n3)s2)C2CC2)C1 ZINC000824104182 608738235 /nfs/dbraw/zinc/73/82/35/608738235.db2.gz OQKSPVJXYRHTTO-ZDUSSCGKSA-N 1 0 390.513 2.902 20 0 GFADRO Clc1cccc(N2CC[NH+](CCCNc3cnccc3-c3nn[nH]n3)CC2)c1 ZINC000826353656 608782078 /nfs/dbraw/zinc/78/20/78/608782078.db2.gz YPHQQLVMVCMRTI-UHFFFAOYSA-N 1 0 398.902 2.539 20 0 GFADRO C[C@H]1C[C@H](CNC(=O)OC(C)(C)C)C[N@@H+]1Cc1ccc(-c2nn[nH]n2)s1 ZINC000824884337 608845090 /nfs/dbraw/zinc/84/50/90/608845090.db2.gz NLAYMGQTIYLYSJ-NWDGAFQWSA-N 1 0 378.502 2.663 20 0 GFADRO O=C1[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CCN1c1ccc(F)c(Cl)c1 ZINC000826476840 609140442 /nfs/dbraw/zinc/14/04/42/609140442.db2.gz QCPZJNCIDKXEAW-INIZCTEOSA-N 1 0 386.818 2.554 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCN(C(=O)C2CCCCC2)C1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824547655 609149898 /nfs/dbraw/zinc/14/98/98/609149898.db2.gz RCJVWCUMUIVRBQ-XJKSGUPXSA-N 1 0 386.475 2.838 20 0 GFADRO C[C@H]([NH2+]CCc1nc2c(cccc2F)n1C)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824606596 609150946 /nfs/dbraw/zinc/15/09/46/609150946.db2.gz QKPVWNWFQDHTML-NSHDSACASA-N 1 0 383.406 2.925 20 0 GFADRO C[C@H](CNC(=O)OC(C)(C)C)C[NH2+][C@@H](C)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824419619 609152401 /nfs/dbraw/zinc/15/24/01/609152401.db2.gz ARJORYJOTNXJDR-RYUDHWBXSA-N 1 0 378.452 2.817 20 0 GFADRO C[C@H](Cc1ccc(F)cc1)[NH2+][C@@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000824457367 609169064 /nfs/dbraw/zinc/16/90/64/609169064.db2.gz KNMUPYATYKYGND-AUUYWEPGSA-N 1 0 394.454 2.722 20 0 GFADRO CCc1cccnc1[C@@H](C)[NH2+][C@@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000825728648 609169454 /nfs/dbraw/zinc/16/94/54/609169454.db2.gz UNYXMXBOHBRTCV-RDTXWAMCSA-N 1 0 391.479 2.670 20 0 GFADRO CC[C@@H](Cc1ccccc1)[NH2+][C@@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000825127578 609169526 /nfs/dbraw/zinc/16/95/26/609169526.db2.gz NUCNKGSMVAAEIH-AZUAARDMSA-N 1 0 390.491 2.973 20 0 GFADRO Clc1cnc(N2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)s1 ZINC000826354161 609212791 /nfs/dbraw/zinc/21/27/91/609212791.db2.gz RHSDUKOKXKEGNG-UHFFFAOYSA-N 1 0 375.889 2.689 20 0 GFADRO C[C@@H]([NH2+][C@@]1(CO)CCCN(Cc2ccccc2)C1)c1cccc(-c2nn[nH]n2)c1 ZINC000824538343 609235332 /nfs/dbraw/zinc/23/53/32/609235332.db2.gz IAXFKGCQSGBIID-VGSWGCGISA-N 1 0 392.507 2.544 20 0 GFADRO C[C@@H]([NH2+]C[C@H]1COC2(CCC(C)CC2)O1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824919121 609256151 /nfs/dbraw/zinc/25/61/51/609256151.db2.gz RVEFRLNYBYKGTE-GXJBLNRDSA-N 1 0 375.448 2.978 20 0 GFADRO O=C(NCCC[N@@H+]1CCc2ccccc2C1)c1ccc(Cl)c(-c2nn[nH]n2)c1 ZINC000826436752 609289104 /nfs/dbraw/zinc/28/91/04/609289104.db2.gz HEZPVOPKORFHFN-UHFFFAOYSA-N 1 0 396.882 2.698 20 0 GFADRO C[C@@H]([NH2+][C@H](C)c1ccc(-c2nn[nH]n2)cc1F)c1ccc(-n2cncn2)cc1 ZINC000824531671 609322535 /nfs/dbraw/zinc/32/25/35/609322535.db2.gz QBJZQJKEWKKKKO-CHWSQXEVSA-N 1 0 378.415 2.998 20 0 GFADRO C[C@@H]([NH2+]Cc1ccc(N2CCCC2=O)cc1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824618635 609324852 /nfs/dbraw/zinc/32/48/52/609324852.db2.gz QJLMWHPEQVNWLK-CYBMUJFWSA-N 1 0 380.427 2.983 20 0 GFADRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)Nc1cc(-c2nn[nH]n2)cn1C(C)(C)C ZINC000824377449 609332814 /nfs/dbraw/zinc/33/28/14/609332814.db2.gz FETPBIWHKOAOGM-CYBMUJFWSA-N 1 0 388.520 2.617 20 0 GFADRO COc1ccc(CC[NH2+]Cc2cn(C)nc2-c2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000826192658 609335135 /nfs/dbraw/zinc/33/51/35/609335135.db2.gz VWWIYMZCRHZNOU-UHFFFAOYSA-N 1 0 389.463 2.608 20 0 GFADRO COc1ccc(C[NH2+]Cc2cn(C)nc2-c2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000826202581 609335604 /nfs/dbraw/zinc/33/56/04/609335604.db2.gz FCUJPWBVMNNSER-UHFFFAOYSA-N 1 0 375.436 2.566 20 0 GFADRO C[C@@H]([NH2+]CCNc1nccc(C(F)(F)F)n1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824600246 609335617 /nfs/dbraw/zinc/33/56/17/609335617.db2.gz YSNSCHDJNBHHJD-SECBINFHSA-N 1 0 396.352 2.577 20 0 GFADRO Cn1cc(C[NH2+][C@H](CCO)c2cccs2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826361410 609340007 /nfs/dbraw/zinc/34/00/07/609340007.db2.gz WKBJRZZFLDWURJ-MRXNPFEDSA-N 1 0 395.492 2.542 20 0 GFADRO C[C@@]1(CCCO)CCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1Br ZINC000824816506 609365985 /nfs/dbraw/zinc/36/59/85/609365985.db2.gz FOFHMLKVEXBTGX-INIZCTEOSA-N 1 0 380.290 2.756 20 0 GFADRO O[C@H]1CC[N@H+](Cc2ccccc2CNc2c(Cl)cccc2-c2nn[nH]n2)C1 ZINC000826506826 609388111 /nfs/dbraw/zinc/38/81/11/609388111.db2.gz CBWOKCLPYGOWKR-HNNXBMFYSA-N 1 0 384.871 2.699 20 0 GFADRO CC(=O)c1ccc(-c2nn[nH]n2)cc1N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000824019477 609419082 /nfs/dbraw/zinc/41/90/82/609419082.db2.gz BWTSSLIHNRVJCJ-UHFFFAOYSA-N 1 0 376.464 2.782 20 0 GFADRO C[C@@H](NC(=O)Nc1cccc(-c2nn[nH]n2)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000824505519 609447432 /nfs/dbraw/zinc/44/74/32/609447432.db2.gz FKQBSXZZHCTYMA-CRAIPNDOSA-N 1 0 391.479 2.899 20 0 GFADRO C[C@H](NC(=O)c1ccc(-c2nn[nH]n2)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000824513960 609456009 /nfs/dbraw/zinc/45/60/09/609456009.db2.gz KRXYAWNANULUHG-HNAYVOBHSA-N 1 0 376.464 2.507 20 0 GFADRO c1cn(C[N@H+]2CC[C@H](Cc3ccncc3)C2)nc1-c1ccc(-c2nn[nH]n2)cc1 ZINC000826515372 609464687 /nfs/dbraw/zinc/46/46/87/609464687.db2.gz XAKIZMMZDCCZLS-QGZVFWFLSA-N 1 0 386.463 2.647 20 0 GFADRO CC[N@H+](CCOc1ccc(-c2nn[nH]n2)cc1)Cc1ccc(OC)c(OC)c1 ZINC000825424630 609504450 /nfs/dbraw/zinc/50/44/50/609504450.db2.gz LYFZKJQQKGREPT-UHFFFAOYSA-N 1 0 383.452 2.785 20 0 GFADRO Cc1ccc(C)c(C[NH2+][C@@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)c1 ZINC000826285150 609601730 /nfs/dbraw/zinc/60/17/30/609601730.db2.gz QULRMVAJYAFOMH-LJQANCHMSA-N 1 0 376.464 2.769 20 0 GFADRO Cc1ccc(OCCC(=O)Nc2ccn(CC[NH+](C)C)n2)c(Br)c1 ZINC000523453628 650635037 /nfs/dbraw/zinc/63/50/37/650635037.db2.gz INZCJYGVUPPQJT-UHFFFAOYSA-N 1 0 395.301 2.923 20 0 GFADRO CC(C)S(=O)(=O)CC[N@@H+]1C[C@@H](CNC(=O)OC(C)(C)C)[C@H](C)C[C@H]1C ZINC000817293345 660189279 /nfs/dbraw/zinc/18/92/79/660189279.db2.gz PQCHODPKMCWXBH-BZUAXINKSA-N 1 0 376.563 2.681 20 0 GFADRO C[C@H]([NH2+]CC1CCN(S(=O)(=O)C(F)(F)F)CC1)c1ccncc1Cl ZINC000817577264 660201229 /nfs/dbraw/zinc/20/12/29/660201229.db2.gz HBGWGLYNSKRQID-JTQLQIEISA-N 1 0 385.839 2.947 20 0 GFADRO CN(C[C@H](O)c1ccccc1Br)C(=O)NC1CCC([NH+](C)C)CC1 ZINC000817792226 660208708 /nfs/dbraw/zinc/20/87/08/660208708.db2.gz PWJAAUXHQBEQPD-KVULBXGLSA-N 1 0 398.345 2.997 20 0 GFADRO COc1cc([C@H](C)NC[C@@]2(C)CCC[NH2+]C2)ccc1S(=O)(=O)C(F)F ZINC000817966566 660212708 /nfs/dbraw/zinc/21/27/08/660212708.db2.gz QCMPYPFADBQQGO-SJCJKPOMSA-N 1 0 376.469 2.732 20 0 GFADRO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(C(=O)/C=C/c2ccc(Br)o2)CC1 ZINC000818011066 660213351 /nfs/dbraw/zinc/21/33/51/660213351.db2.gz UUMPORCQLUBPLE-JUALTMEFSA-N 1 0 383.286 2.800 20 0 GFADRO COC(OC)c1ccc(F)c(C[NH2+]CCn2cc(Br)ccc2=O)c1 ZINC000818216059 660219807 /nfs/dbraw/zinc/21/98/07/660219807.db2.gz BTHUJVWGKQPVAP-UHFFFAOYSA-N 1 0 399.260 2.831 20 0 GFADRO CC(C)N1CC[C@H]([NH2+]C[C@@](C)(O)c2ccc(Br)cc2Cl)C1=O ZINC000819073628 660245461 /nfs/dbraw/zinc/24/54/61/660245461.db2.gz WNZYNYVKYITIKD-GOEBONIOSA-N 1 0 389.721 2.909 20 0 GFADRO O=S(=O)(CCC[NH2+]C[C@H](O)c1ccccc1Br)c1ccccc1 ZINC000818981384 660241156 /nfs/dbraw/zinc/24/11/56/660241156.db2.gz SKCXPMXOVCZSJO-KRWDZBQOSA-N 1 0 398.322 2.936 20 0 GFADRO CC(C)(C)OC(=O)NC[C@@](C)(O)C[NH2+]Cc1sccc1Br ZINC000818984834 660241733 /nfs/dbraw/zinc/24/17/33/660241733.db2.gz IDJDZFQKZVJJHO-AWEZNQCLSA-N 1 0 379.320 2.876 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CC[NH2+]C[C@H](O)c1ccc(F)cn1 ZINC000818998829 660242665 /nfs/dbraw/zinc/24/26/65/660242665.db2.gz MHAWVQZGMHLJNM-INIZCTEOSA-N 1 0 396.260 2.943 20 0 GFADRO O=C(C[NH2+]C[C@@H](O)c1ccccc1Br)N1CCc2ccccc21 ZINC000818999597 660242669 /nfs/dbraw/zinc/24/26/69/660242669.db2.gz SYPGRDSNNUSADY-QGZVFWFLSA-N 1 0 375.266 2.661 20 0 GFADRO CN(C)C(=O)[C@H]1CCCN1CCC[NH2+]C[C@H](O)c1ccc(Cl)cc1Cl ZINC000818997776 660242674 /nfs/dbraw/zinc/24/26/74/660242674.db2.gz KUQKXRDINROASI-SJORKVTESA-N 1 0 388.339 2.559 20 0 GFADRO O=C1[C@@H]([NH2+]C[C@@H](O)c2cccc(Br)c2)CCN1c1ccccc1 ZINC000819047757 660244454 /nfs/dbraw/zinc/24/44/54/660244454.db2.gz ZMEYQUGXYAALPA-DLBZAZTESA-N 1 0 375.266 2.878 20 0 GFADRO CC(C)(C)OC(=O)NC[C@@](C)(O)C[NH2+]Cc1ccc(Br)cc1F ZINC000819053799 660244825 /nfs/dbraw/zinc/24/48/25/660244825.db2.gz LGILUVFTJGAEQL-INIZCTEOSA-N 1 0 391.281 2.954 20 0 GFADRO CCS(=O)(=O)C[C@@H](C)[NH2+]C[C@](C)(O)c1ccc(Br)cc1Cl ZINC000819065201 660245172 /nfs/dbraw/zinc/24/51/72/660245172.db2.gz LZFNESNKWOAKJB-YGRLFVJLSA-N 1 0 398.750 2.723 20 0 GFADRO O[C@@H](C[NH2+]CCCOC1CCOCC1)c1ccc(F)c(Br)c1 ZINC000819099795 660246579 /nfs/dbraw/zinc/24/65/79/660246579.db2.gz BMLISBIDZCVCGC-INIZCTEOSA-N 1 0 376.266 2.797 20 0 GFADRO C[C@H](C[NH2+]C[C@H](O)c1ccc(S(C)(=O)=O)cc1)Oc1cccc(Cl)c1 ZINC000819112333 660246949 /nfs/dbraw/zinc/24/69/49/660246949.db2.gz DLECHAXPZIRIQL-ACJLOTCBSA-N 1 0 383.897 2.834 20 0 GFADRO CC(C)(C)c1nc(CC[NH2+]C[C@H](O)c2ccc(S(C)(=O)=O)cc2)cs1 ZINC000819197874 660249819 /nfs/dbraw/zinc/24/98/19/660249819.db2.gz MZPGZDWDPDYFKY-INIZCTEOSA-N 1 0 382.551 2.710 20 0 GFADRO CNC(=O)C[C@H]([NH2+]C[C@@H](O)c1cccc(Br)c1)c1ccccc1 ZINC000819280580 660253322 /nfs/dbraw/zinc/25/33/22/660253322.db2.gz JUQICALYSUCNRO-DLBZAZTESA-N 1 0 377.282 2.950 20 0 GFADRO O=C(N1CCCC1)N1CCC[C@H]([NH2+]C[C@@H](O)c2ccccc2Br)C1 ZINC000819304485 660254297 /nfs/dbraw/zinc/25/42/97/660254297.db2.gz GRIRXZAFDRZDAU-WMLDXEAASA-N 1 0 396.329 2.752 20 0 GFADRO O[C@H](C[NH2+]CCn1cc(Br)cn1)c1ccc(Br)cc1 ZINC000819308039 660254502 /nfs/dbraw/zinc/25/45/02/660254502.db2.gz MGOCXXARYNMXGH-CYBMUJFWSA-N 1 0 389.091 2.731 20 0 GFADRO CC(C)S(=O)(=O)CC[NH2+]C[C@@](C)(O)c1ccc(Br)cc1Cl ZINC000819316241 660254733 /nfs/dbraw/zinc/25/47/33/660254733.db2.gz DJKBFLVKSGCPSQ-CQSZACIVSA-N 1 0 398.750 2.723 20 0 GFADRO C[C@@](O)(C[NH2+]Cc1cc(C(N)=O)co1)c1ccc(Br)cc1Cl ZINC000819244796 660251833 /nfs/dbraw/zinc/25/18/33/660251833.db2.gz USQRDPCUBUDKJL-OAHLLOKOSA-N 1 0 387.661 2.792 20 0 GFADRO Cc1cc(N2CCC([NH2+]C[C@H](O)c3ccccc3Br)CC2)n[nH]1 ZINC000819253846 660252161 /nfs/dbraw/zinc/25/21/61/660252161.db2.gz JSIZZJMAJOEDOT-INIZCTEOSA-N 1 0 379.302 2.773 20 0 GFADRO COC1([C@@H](C)[NH2+]C[C@](C)(O)c2ccc(Br)cc2F)CCOCC1 ZINC000819372354 660257355 /nfs/dbraw/zinc/25/73/55/660257355.db2.gz AALWDTYVWLUUTL-WBMJQRKESA-N 1 0 390.293 2.969 20 0 GFADRO COc1cc2[nH+]ccc(N3CCN4C(=O)OC[C@@H]4C3)c2cc1Br ZINC000819926041 660275189 /nfs/dbraw/zinc/27/51/89/660275189.db2.gz PDECFLBNKSVRAQ-JTQLQIEISA-N 1 0 378.226 2.647 20 0 GFADRO C[NH+]1CCC(OCC(=O)N2CC[C@H](Cc3ccc(Br)cc3)C2)CC1 ZINC000820526328 660296361 /nfs/dbraw/zinc/29/63/61/660296361.db2.gz RJIVBYIQLAHNOD-MRXNPFEDSA-N 1 0 395.341 2.951 20 0 GFADRO C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1nc(C3CC3)ncc1Br)C2 ZINC000821026655 660313551 /nfs/dbraw/zinc/31/35/51/660313551.db2.gz YVXYDOWIGLODHH-QGZVFWFLSA-N 1 0 379.302 2.674 20 0 GFADRO C[NH+](C)Cc1cccc(C(=O)OCCn2cc(Br)ccc2=O)c1 ZINC000821627994 660330751 /nfs/dbraw/zinc/33/07/51/660330751.db2.gz WOPLIYMQQGPAJU-UHFFFAOYSA-N 1 0 379.254 2.529 20 0 GFADRO C[N@@H+]1CCC[C@@H](CCNC(=O)C[C@H]2C(=O)Nc3ccc(Br)cc32)C1 ZINC000822454958 660345801 /nfs/dbraw/zinc/34/58/01/660345801.db2.gz XTMXQKIZIFVYRY-SWLSCSKDSA-N 1 0 394.313 2.723 20 0 GFADRO COCC[N@H+](C)CCCNC(=O)C(F)(F)c1ccccc1Br ZINC000822499997 660346938 /nfs/dbraw/zinc/34/69/38/660346938.db2.gz CNTBTEJEJHFAHL-UHFFFAOYSA-N 1 0 379.245 2.625 20 0 GFADRO C[C@@H](CNC(=O)c1csc(I)n1)C[NH+]1CCCCC1 ZINC000822874565 660356279 /nfs/dbraw/zinc/35/62/79/660356279.db2.gz OLDNBMNACMJSNC-JTQLQIEISA-N 1 0 393.294 2.600 20 0 GFADRO C[NH+](C)C1(CNC(=O)c2cnn(Cc3ccccc3)c2Br)CC1 ZINC000822931819 660358462 /nfs/dbraw/zinc/35/84/62/660358462.db2.gz QEGFQMDVDQLDGO-UHFFFAOYSA-N 1 0 377.286 2.518 20 0 GFADRO Brc1cc2c(cc1Cc1noc([C@H]3C[C@@]34CC[NH2+]C4)n1)OCO2 ZINC000822947097 660358694 /nfs/dbraw/zinc/35/86/94/660358694.db2.gz NEUNPZGCJLVXNK-QLJPJBMISA-N 1 0 378.226 2.619 20 0 GFADRO C[C@H](C[NH3+])c1nc(C(C)(C)S(=O)(=O)c2ccc(Br)cc2)no1 ZINC000823012615 660359805 /nfs/dbraw/zinc/35/98/05/660359805.db2.gz XJEXEFQYEJTVMB-SECBINFHSA-N 1 0 388.287 2.603 20 0 GFADRO CC[N@H+](Cc1ccc(S(=O)(=O)N(C)C)s1)[C@@H](C)[C@@H](O)c1ccccc1 ZINC000823163333 660363593 /nfs/dbraw/zinc/36/35/93/660363593.db2.gz HPVGBMSKFAFISF-KBXCAEBGSA-N 1 0 382.551 2.942 20 0 GFADRO COC[C@]1(c2nc(Cc3c(F)ccc(Br)c3F)no2)CC[NH2+]C1 ZINC000823189582 660364426 /nfs/dbraw/zinc/36/44/26/660364426.db2.gz ILEMVUQXAZAGIC-HNNXBMFYSA-N 1 0 388.212 2.579 20 0 GFADRO Cc1cc(-c2nc(N3CC[NH2+]CC3)no2)nn1-c1ccc(Cl)cc1Cl ZINC000823304206 660367894 /nfs/dbraw/zinc/36/78/94/660367894.db2.gz MGLFRHOZHWMMLF-UHFFFAOYSA-N 1 0 379.251 2.947 20 0 GFADRO CC[NH+]1CCC(CNC(=O)[C@]2(C)CC2(Br)Br)CC1 ZINC000823439598 660372253 /nfs/dbraw/zinc/37/22/53/660372253.db2.gz QYRVOCVRIHWBDP-LBPRGKRZSA-N 1 0 382.140 2.731 20 0 GFADRO O=S(=O)(CC[NH2+][C@H]1CC=C(c2ccc(Cl)cc2)CC1)N1CCOCC1 ZINC000823824937 660380995 /nfs/dbraw/zinc/38/09/95/660380995.db2.gz CWWOXZAZVJLCEF-SFHVURJKSA-N 1 0 384.929 2.528 20 0 GFADRO Brc1ccc(NC2CC[NH+](CC3CC3)CC2)c(-c2nn[nH]n2)c1 ZINC000823832282 660381543 /nfs/dbraw/zinc/38/15/43/660381543.db2.gz KPCWOGIDYDZFPV-UHFFFAOYSA-N 1 0 377.290 2.916 20 0 GFADRO CCS(=O)(=O)C1CC[NH+](C[C@H](CNC(=O)OC(C)(C)C)C(C)C)CC1 ZINC000824297192 660389361 /nfs/dbraw/zinc/38/93/61/660389361.db2.gz QVDSKYLMYWLAEW-HNNXBMFYSA-N 1 0 376.563 2.682 20 0 GFADRO CC(C)[C@@H](CNC(=O)OC(C)(C)C)C[NH2+]CC1(S(C)(=O)=O)CCCC1 ZINC000824377044 660391063 /nfs/dbraw/zinc/39/10/63/660391063.db2.gz RLWIQLTVQWJYLC-OAHLLOKOSA-N 1 0 376.563 2.730 20 0 GFADRO C[NH+](C)CCn1c(=O)[nH]c2ccc(C(=O)NCC[C@@H]3CC3(Cl)Cl)cc21 ZINC000824804835 660402562 /nfs/dbraw/zinc/40/25/62/660402562.db2.gz NEXLZZUMLPYEFA-GFCCVEGCSA-N 1 0 385.295 2.617 20 0 GFADRO O=C(c1cc(Br)cnc1Br)N1CC([NH+]2CCCC2)C1 ZINC000824866993 660403758 /nfs/dbraw/zinc/40/37/58/660403758.db2.gz WGBIFYHYYKLFTH-UHFFFAOYSA-N 1 0 389.091 2.527 20 0 GFADRO Cc1[nH]nc(Br)c1C(=O)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000825046187 660408537 /nfs/dbraw/zinc/40/85/37/660408537.db2.gz HBIPRVLCAUEIKP-UHFFFAOYSA-N 1 0 392.301 2.518 20 0 GFADRO CCC[N@@H+]1CC[C@@H](NC(=O)c2cc(Br)cnc2Br)C1 ZINC000825625332 660435185 /nfs/dbraw/zinc/43/51/85/660435185.db2.gz KASWUGLSVNHXFR-SNVBAGLBSA-N 1 0 391.107 2.821 20 0 GFADRO CC(C)[N@@H+]1CCCN(C(=O)[C@]2(C)CC2(Br)Br)CC1 ZINC000825768274 660441178 /nfs/dbraw/zinc/44/11/78/660441178.db2.gz GFOLTAWVWIRKGL-LBPRGKRZSA-N 1 0 382.140 2.825 20 0 GFADRO O=C(C/C=C/c1ccc(Br)cc1)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000826570185 660457514 /nfs/dbraw/zinc/45/75/14/660457514.db2.gz NNUODYOODLCCKI-ZMXQLYDGSA-N 1 0 393.325 2.910 20 0 GFADRO O=C(NCc1ccc(Br)cn1)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000826813393 660465708 /nfs/dbraw/zinc/46/57/08/660465708.db2.gz JVHCQVHFJUIGKV-OAHLLOKOSA-N 1 0 384.343 2.678 20 0 GFADRO C[C@H](CN1CCOCC1)[N@@H+]1CC[C@@]2(C)[C@@H](C1)C2(Br)Br ZINC000852336220 661861308 /nfs/dbraw/zinc/86/13/08/661861308.db2.gz YSBPEZUAXGGIEH-UPJWGTAASA-N 1 0 396.167 2.535 20 0 GFADRO CC(C)[C@H](C(=O)N1CC[C@@]2(C)[C@@H](C1)C2(Br)Br)[C@H](C)[NH3+] ZINC000852901629 661876749 /nfs/dbraw/zinc/87/67/49/661876749.db2.gz MFHLUTMYEFYBCB-NOHGZBONSA-N 1 0 396.167 2.960 20 0 GFADRO CC[C@H]1[NH2+]CC[C@H]1C(=O)N1CC[C@@]2(C)[C@@H](C1)C2(Br)Br ZINC000852901715 661876884 /nfs/dbraw/zinc/87/68/84/661876884.db2.gz PCJPDLFHFUOQDW-UZWSLXQKSA-N 1 0 394.151 2.729 20 0 GFADRO CC(C)(C)OC(=O)N1CC2(C1)C[C@@H]([NH2+]Cc1cncc(Br)c1)CO2 ZINC000827062081 660477274 /nfs/dbraw/zinc/47/72/74/660477274.db2.gz VKXKSCRSGGUHLU-CQSZACIVSA-N 1 0 398.301 2.712 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(F)cc3I)CC[C@H]21 ZINC000827337649 660489679 /nfs/dbraw/zinc/48/96/79/660489679.db2.gz MEUJVDMIMOSEPV-QMTHXVAHSA-N 1 0 388.224 2.597 20 0 GFADRO C[NH+]1CCC(N2CC[C@H](NC(=O)c3cc4sccc4nc3Cl)C2)CC1 ZINC000827413948 660494163 /nfs/dbraw/zinc/49/41/63/660494163.db2.gz OBFKTLYGBLCYTB-LBPRGKRZSA-N 1 0 378.929 2.848 20 0 GFADRO Cc1c(Br)ccc(C(=O)N2CCC([NH+]3CCN(C)CC3)CC2)c1F ZINC000827440075 660495688 /nfs/dbraw/zinc/49/56/88/660495688.db2.gz OIOGVJUPVRPJDI-UHFFFAOYSA-N 1 0 398.320 2.749 20 0 GFADRO C[NH+](C)C1(C)CCN(C(=O)C[C@H]2C(=O)Nc3ccc(Br)cc32)CC1 ZINC000827779112 660514591 /nfs/dbraw/zinc/51/45/91/660514591.db2.gz OIVYEOOIVWFVSW-CQSZACIVSA-N 1 0 394.313 2.818 20 0 GFADRO C[C@@]1(C[NH+]2CCC(N(CC(F)(F)F)S(C)(=O)=O)CC2)CC1(Cl)Cl ZINC000827813182 660517445 /nfs/dbraw/zinc/51/74/45/660517445.db2.gz NLZXGQMWPCVNOM-NSHDSACASA-N 1 0 397.290 2.859 20 0 GFADRO Cn1cc(Br)c(C(=O)NC[C@@H]2CC[N@@H+]2C2CCCCCC2)cc1=O ZINC000828489196 660550267 /nfs/dbraw/zinc/55/02/67/660550267.db2.gz PUFBXVURHLDZHR-AWEZNQCLSA-N 1 0 396.329 2.675 20 0 GFADRO Cc1ccc(Br)c(C(=O)N(C)CC[NH+]2CC3(C2)CCOCC3)c1 ZINC000829257452 660586570 /nfs/dbraw/zinc/58/65/70/660586570.db2.gz IGLZBSUUUCEYJB-UHFFFAOYSA-N 1 0 381.314 2.942 20 0 GFADRO CN(CC[NH+]1CC2(C1)CCOCC2)C(=O)Cc1ccc(Br)c(F)c1 ZINC000829257599 660587053 /nfs/dbraw/zinc/58/70/53/660587053.db2.gz NISJFYUEDNOEHJ-UHFFFAOYSA-N 1 0 399.304 2.702 20 0 GFADRO CN(CC[NH+]1CC2(C1)CCOCC2)C(=O)c1cc(F)ccc1Br ZINC000829291453 660587711 /nfs/dbraw/zinc/58/77/11/660587711.db2.gz AWDBOAACKGYTTH-UHFFFAOYSA-N 1 0 385.277 2.773 20 0 GFADRO C[C@](O)(C(=O)N1CCC(C)([NH+]2CCC2)CC1)c1ccc(F)c(Br)c1 ZINC000829454985 660593156 /nfs/dbraw/zinc/59/31/56/660593156.db2.gz FDYPMVKQCUPJFU-GOSISDBHSA-N 1 0 399.304 2.883 20 0 GFADRO CCC1([NH+]2CCC2)CCN(C(=O)c2cc(Br)cn3ncnc23)CC1 ZINC000829690917 660607634 /nfs/dbraw/zinc/60/76/34/660607634.db2.gz RQGHFJNKWFRJCV-UHFFFAOYSA-N 1 0 392.301 2.582 20 0 GFADRO Cc1nc(Br)sc1C(=O)NCCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000829800271 660614523 /nfs/dbraw/zinc/61/45/23/660614523.db2.gz DLAHMDZNDIRGBZ-QWRGUYRKSA-N 1 0 390.347 2.833 20 0 GFADRO CCC1([NH+]2CCOCC2)CCN(C(=O)Nc2nnc(C(F)F)s2)CC1 ZINC000626327055 652389243 /nfs/dbraw/zinc/38/92/43/652389243.db2.gz XLFLCSUBDMKITO-UHFFFAOYSA-N 1 0 375.445 2.584 20 0 GFADRO Cc1ccc(Br)c(C(=O)N[C@@H](CC[NH+](C)C)c2cccnc2)n1 ZINC000830209671 660642355 /nfs/dbraw/zinc/64/23/55/660642355.db2.gz LPWQWZWTFNVFRW-HNNXBMFYSA-N 1 0 377.286 2.970 20 0 GFADRO CC[C@H](C(=O)NCc1cc(Br)cc(Br)c1N)[NH+](C)C ZINC000830247096 660644944 /nfs/dbraw/zinc/64/49/44/660644944.db2.gz OJJQQWIDCMTWPO-LLVKDONJSA-N 1 0 393.123 2.750 20 0 GFADRO Ic1cccc(C[C@@H]2CC[N@H+](CCC3OCCO3)C2)c1 ZINC000830514048 660660586 /nfs/dbraw/zinc/66/05/86/660660586.db2.gz BKGLMVFGPDJESC-AWEZNQCLSA-N 1 0 387.261 2.919 20 0 GFADRO CN(C)C(=O)O[C@@H]1CCC[N@H+](C[C@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000830568374 660664867 /nfs/dbraw/zinc/66/48/67/660664867.db2.gz HICCUHIJDDTHKN-QWHCGFSZSA-N 1 0 391.295 2.896 20 0 GFADRO CN(C)C(=O)O[C@H]1CCC[N@H+](CCC(=O)Nc2cccc(Br)c2)C1 ZINC000830584458 660665496 /nfs/dbraw/zinc/66/54/96/660665496.db2.gz PAXRPLMIGAVYQL-HNNXBMFYSA-N 1 0 398.301 2.940 20 0 GFADRO O=C(N[C@H]1CC12CC[NH2+]CC2)N1CCO[C@H](c2ccccc2Br)C1 ZINC000831172772 660701619 /nfs/dbraw/zinc/70/16/19/660701619.db2.gz LZDXJVIBGHRDEI-HOTGVXAUSA-N 1 0 394.313 2.674 20 0 GFADRO CS[C@H]1CN(C(=O)c2cnn(C(C)(C)C)c2Br)C[C@H]1[NH+](C)C ZINC000831299699 660707788 /nfs/dbraw/zinc/70/77/88/660707788.db2.gz LPKMSKPKJXRZJK-NEPJUHHUSA-N 1 0 389.363 2.518 20 0 GFADRO C[C@H](NC(=O)C[C@@H]([NH3+])C1CC1)c1nc(-c2ccc(Br)cc2)no1 ZINC000831337420 660708425 /nfs/dbraw/zinc/70/84/25/660708425.db2.gz UNTMPFDJRBCUEB-TVQRCGJNSA-N 1 0 379.258 2.804 20 0 GFADRO C[N@@H+]1CC[C@H](C(=O)NCc2ccc(Br)c(Br)c2)C1 ZINC000888676657 663210515 /nfs/dbraw/zinc/21/05/15/663210515.db2.gz FHMXDENDOHEPRR-JTQLQIEISA-N 1 0 376.092 2.780 20 0 GFADRO CCO[C@@H](CNC(=O)Cc1sc(SC(F)(F)F)nc1C)C[NH+](C)C ZINC000831724927 660722981 /nfs/dbraw/zinc/72/29/81/660722981.db2.gz SWJDEPYGOXRANZ-JTQLQIEISA-N 1 0 385.477 2.689 20 0 GFADRO CCO[C@@H](CNC(=O)Cc1c[nH]c2cc(Br)ccc12)C[NH+](C)C ZINC000831737170 660723667 /nfs/dbraw/zinc/72/36/67/660723667.db2.gz DSVURHONXKHKTM-AWEZNQCLSA-N 1 0 382.302 2.556 20 0 GFADRO CCCN(CC(=O)Nc1ccc(Cl)cc1Cl)C(=O)[C@]1(F)CC[NH2+]C1 ZINC000831773899 660725849 /nfs/dbraw/zinc/72/58/49/660725849.db2.gz BZROCVRDKNUKOM-INIZCTEOSA-N 1 0 376.259 2.872 20 0 GFADRO O=C(NC[C@H]1CCC[NH2+]1)c1cnn(-c2ncccc2Cl)c1C(F)(F)Cl ZINC000832581809 660787776 /nfs/dbraw/zinc/78/77/76/660787776.db2.gz FYSZOMYHRORITQ-SECBINFHSA-N 1 0 390.221 2.691 20 0 GFADRO C[N@H+](C[C@@H](O)COc1ccccc1)C[C@H](O)c1ccccc1Br ZINC000832673151 660793850 /nfs/dbraw/zinc/79/38/50/660793850.db2.gz PAARRGJTXJCEIL-KDOFPFPSSA-N 1 0 380.282 2.854 20 0 GFADRO C[N@H+](C[C@@H](O)COc1ccc(F)cc1)C[C@H](O)c1ccccc1Br ZINC000832671615 660793900 /nfs/dbraw/zinc/79/39/00/660793900.db2.gz FJMDEODCUDBSJF-KDOFPFPSSA-N 1 0 398.272 2.993 20 0 GFADRO O=C1C[C@H]([NH2+]Cc2ccc(Br)c(Br)c2)CCCN1 ZINC000897763613 663619612 /nfs/dbraw/zinc/61/96/12/663619612.db2.gz OIJYDXWWPXWMQC-SNVBAGLBSA-N 1 0 376.092 2.970 20 0 GFADRO CC1([NH+]2CCC2)CCC(NC(=O)C2(n3cc(Br)cn3)CC2)CC1 ZINC000834764769 660832420 /nfs/dbraw/zinc/83/24/20/660832420.db2.gz LAOXNMBRNHCHSR-UHFFFAOYSA-N 1 0 381.318 2.658 20 0 GFADRO O=S(=O)(CC[NH2+][C@@H]1CCc2ccc(Br)cc21)C1CCOCC1 ZINC000834891667 660837386 /nfs/dbraw/zinc/83/73/86/660837386.db2.gz SEBRSSYVJQUHGP-MRXNPFEDSA-N 1 0 388.327 2.620 20 0 GFADRO Nc1nc(N2CCC[C@@H](OC(=O)Cc3sccc3Br)C2)cc[nH+]1 ZINC000835372044 660853774 /nfs/dbraw/zinc/85/37/74/660853774.db2.gz OWQGRGVWDOWFDI-SNVBAGLBSA-N 1 0 397.298 2.638 20 0 GFADRO CC(C)[NH+]1CCC(NC(=O)NC[C@H](O)c2ccccc2Br)CC1 ZINC000836198941 660895127 /nfs/dbraw/zinc/89/51/27/660895127.db2.gz PZWWRANOKADWNM-INIZCTEOSA-N 1 0 384.318 2.655 20 0 GFADRO C[C@H](CNC(=O)NC[C@H](O)c1ccccc1Br)C[NH+]1CCCCC1 ZINC000836345316 660900829 /nfs/dbraw/zinc/90/08/29/660900829.db2.gz LBTPPJAYDAQKJU-PBHICJAKSA-N 1 0 398.345 2.904 20 0 GFADRO C[N@H+](CCCCNC(=O)NC[C@@H](O)c1cccc(Br)c1)C1CC1 ZINC000836687047 660929851 /nfs/dbraw/zinc/92/98/51/660929851.db2.gz MIJRMAHELUGUBU-MRXNPFEDSA-N 1 0 384.318 2.656 20 0 GFADRO CC(=O)Nc1ccc(C[NH+]2CCC(NC(=O)[C@H]3CC3(Cl)Cl)CC2)cc1 ZINC000836849884 660950007 /nfs/dbraw/zinc/95/00/07/660950007.db2.gz ZTTZGNHSFVWXFF-MRXNPFEDSA-N 1 0 384.307 2.919 20 0 GFADRO CC[C@H](C)[NH+]1CCN(C(=O)/C=C/c2ccc(I)o2)CC1 ZINC000837006266 660964694 /nfs/dbraw/zinc/96/46/94/660964694.db2.gz CVIYMMUWLSXFAK-PZBABLGHSA-N 1 0 388.249 2.840 20 0 GFADRO CC(C)[C@@H](NC(=O)c1cccs1)C(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000027677142 654565078 /nfs/dbraw/zinc/56/50/78/654565078.db2.gz SPKIFNQOVCNWKK-CZUORRHYSA-N 1 0 379.551 2.983 20 0 GFADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)Cc2csc(-c3cccs3)n2)C1 ZINC000028015315 654568476 /nfs/dbraw/zinc/56/84/76/654568476.db2.gz NQHCEQFAPSGRKM-OAHLLOKOSA-N 1 0 379.551 2.887 20 0 GFADRO C[NH2+]CCCNS(=O)(=O)c1c(Cl)cc(Br)cc1Cl ZINC000036298101 654612172 /nfs/dbraw/zinc/61/21/72/654612172.db2.gz AWHUWGQWLCLBOO-UHFFFAOYSA-N 1 0 376.103 2.644 20 0 GFADRO O=C(NCCC[NH2+]Cc1cccnc1)c1ccccc1I ZINC000036279175 654612180 /nfs/dbraw/zinc/61/21/80/654612180.db2.gz BIQPFYRCPVULFC-UHFFFAOYSA-N 1 0 395.244 2.596 20 0 GFADRO CC[NH+](CC)Cc1ccc(C(=O)NNC(=O)c2cc(Br)c[nH]2)cc1 ZINC000036834394 654613952 /nfs/dbraw/zinc/61/39/52/654613952.db2.gz NSIFXCXRRBWRTG-UHFFFAOYSA-N 1 0 393.285 2.694 20 0 GFADRO C[NH+](C)CCCNS(=O)(=O)c1c(Cl)cc(Br)cc1Cl ZINC000037383467 654615060 /nfs/dbraw/zinc/61/50/60/654615060.db2.gz VFYCCLPTEWYNKH-UHFFFAOYSA-N 1 0 390.130 2.986 20 0 GFADRO O=C(c1ccccc1I)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037916835 654615833 /nfs/dbraw/zinc/61/58/33/654615833.db2.gz RPJUMOILAMUPCD-WFASDCNBSA-N 1 0 384.261 2.895 20 0 GFADRO C[NH+]1CCC(N(CCO)C(=O)c2cc(Br)ccc2Cl)CC1 ZINC000038068571 654616985 /nfs/dbraw/zinc/61/69/85/654616985.db2.gz RZPSDUHWVHFICA-UHFFFAOYSA-N 1 0 375.694 2.631 20 0 GFADRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)COc2ccc(C=O)cc2Br)C1 ZINC000837185543 660975964 /nfs/dbraw/zinc/97/59/64/660975964.db2.gz IBTMUUZFWSCASE-CQSZACIVSA-N 1 0 383.286 2.582 20 0 GFADRO CC(C)(CNC(=O)CNC(=O)c1cccc(Br)c1)[NH+]1CCCCC1 ZINC000041297835 654625776 /nfs/dbraw/zinc/62/57/76/654625776.db2.gz MLXBEQKDVLLLAI-UHFFFAOYSA-N 1 0 396.329 2.560 20 0 GFADRO CN(CCC(=O)NC[C@@H](O)c1ccccc1Br)c1cc[nH+]cc1 ZINC000837200930 660978182 /nfs/dbraw/zinc/97/81/82/660978182.db2.gz JJJCIEJFUDPNHK-MRXNPFEDSA-N 1 0 378.270 2.520 20 0 GFADRO O=C(CS[C@@H]1CCS(=O)(=O)C1)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000042722173 654643138 /nfs/dbraw/zinc/64/31/38/654643138.db2.gz YIUFIMADDQKYJB-QGZVFWFLSA-N 1 0 382.551 2.531 20 0 GFADRO CCCNC(=O)C1CC[NH+](C[C@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000042761069 654643718 /nfs/dbraw/zinc/64/37/18/654643718.db2.gz HPGMOMJCNPPPSY-HNNXBMFYSA-N 1 0 389.323 2.971 20 0 GFADRO O=C(NCCC[NH+]1CCCC1)c1ccc(F)cc1I ZINC000042851748 654645840 /nfs/dbraw/zinc/64/58/40/654645840.db2.gz WSOPGMBTUKENFV-UHFFFAOYSA-N 1 0 376.213 2.646 20 0 GFADRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=S)NC[C@@H]2CCCO2)CC1 ZINC000044511883 654659068 /nfs/dbraw/zinc/65/90/68/654659068.db2.gz XTNFKDNYGSTMRK-HNNXBMFYSA-N 1 0 382.961 2.947 20 0 GFADRO CCOc1c(Br)cc(C[NH2+]CCC(=O)NC)cc1Br ZINC000044569578 654659943 /nfs/dbraw/zinc/65/99/43/654659943.db2.gz LAGRBRMMJLGETA-UHFFFAOYSA-N 1 0 394.107 2.836 20 0 GFADRO CCCC[NH+]1CCC(NC(=O)c2c(Br)nc3n2CCCC3)CC1 ZINC000837406722 660993915 /nfs/dbraw/zinc/99/39/15/660993915.db2.gz KOCSFOXADCRTCD-UHFFFAOYSA-N 1 0 383.334 2.976 20 0 GFADRO COc1ccc(S(=O)(=O)N2CCC[N@H+](CCc3cccs3)CC2)cc1 ZINC000122247313 654732095 /nfs/dbraw/zinc/73/20/95/654732095.db2.gz CJQOZQDKANLCHK-UHFFFAOYSA-N 1 0 380.535 2.696 20 0 GFADRO CC(=O)N(c1nn(CN2CCC[N@@H+](C(C)(C)C)CC2)c(=S)s1)C1CC1 ZINC000052087208 654732849 /nfs/dbraw/zinc/73/28/49/654732849.db2.gz WOYWJJXHLOZRHI-UHFFFAOYSA-N 1 0 383.587 2.953 20 0 GFADRO CC[N@@H+](CC(=O)N(C)CCOc1ccc(Br)cc1)C[C@H]1CCOC1 ZINC000052071550 654732866 /nfs/dbraw/zinc/73/28/66/654732866.db2.gz DILLGRFWBGSZMP-OAHLLOKOSA-N 1 0 399.329 2.645 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)N1CCN(Cc2ccsc2)CC1)c1cccs1 ZINC000053529603 654748456 /nfs/dbraw/zinc/74/84/56/654748456.db2.gz PNCQKOSWXYLZEB-MRXNPFEDSA-N 1 0 378.567 2.940 20 0 GFADRO C[C@@H](CNC(=O)N1CCN(Cc2ccc(Cl)s2)CC1)C[NH+]1CCCC1 ZINC000123032862 654750819 /nfs/dbraw/zinc/75/08/19/654750819.db2.gz PJVLXVXMSBTPLZ-HNNXBMFYSA-N 1 0 384.977 2.961 20 0 GFADRO Cc1[nH]c(=S)sc1CC(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1C ZINC000053850302 654751614 /nfs/dbraw/zinc/75/16/14/654751614.db2.gz YLOFGBQJBAWBHB-UHFFFAOYSA-N 1 0 376.551 2.982 20 0 GFADRO C[C@@H]1C[C@@H](N(C)C(=O)c2ccc(F)cc2I)CC[N@@H+]1C ZINC000123056889 654751796 /nfs/dbraw/zinc/75/17/96/654751796.db2.gz BYJQHZSICGGDQO-PWSUYJOCSA-N 1 0 390.240 2.985 20 0 GFADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cc(C)cc(C)c3Br)C2)CC1 ZINC000123492035 654757600 /nfs/dbraw/zinc/75/76/00/654757600.db2.gz XSTLIXHRPYMGRD-MRXNPFEDSA-N 1 0 394.357 2.918 20 0 GFADRO CN(CC(=O)Nc1ccc(Br)cc1)CC(C)(C)C[NH+]1CCOCC1 ZINC000123771878 654762970 /nfs/dbraw/zinc/76/29/70/654762970.db2.gz WJODIMPQVUOCOW-UHFFFAOYSA-N 1 0 398.345 2.678 20 0 GFADRO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)NC[C@@H](C1CC1)[NH+](C)C ZINC000123844248 654765161 /nfs/dbraw/zinc/76/51/61/654765161.db2.gz RNGPBFOTPFLQEB-AWEZNQCLSA-N 1 0 393.281 2.934 20 0 GFADRO C[C@H]1CCC[N@H+](CCNC(=O)Cc2cccc(I)c2)C1 ZINC000123953270 654766935 /nfs/dbraw/zinc/76/69/35/654766935.db2.gz CZVCRAOOMWLSES-ZDUSSCGKSA-N 1 0 386.277 2.682 20 0 GFADRO C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)Nc1ccc(Br)cc1F ZINC000123952716 654766941 /nfs/dbraw/zinc/76/69/41/654766941.db2.gz KCAPJQMZPBNGPE-NSHDSACASA-N 1 0 386.265 2.517 20 0 GFADRO C[C@H](Cn1cc(Br)cn1)[NH2+][C@@H](CO)Cc1c[nH]c2ccccc12 ZINC000124041981 654769675 /nfs/dbraw/zinc/76/96/75/654769675.db2.gz NTJUUDXGVDJQET-IUODEOHRSA-N 1 0 377.286 2.709 20 0 GFADRO C[C@@H]1C[C@H](NS(=O)(=O)/C=C/c2cccc(Br)c2)C[N@@H+]1C1CC1 ZINC000124115932 654771171 /nfs/dbraw/zinc/77/11/71/654771171.db2.gz FGXHCZIIHNDHIQ-UJOIQMEZSA-N 1 0 385.327 2.964 20 0 GFADRO COCC[N@H+](C)CCOc1cccc(CNc2ncncc2Br)c1 ZINC000124353206 654774988 /nfs/dbraw/zinc/77/49/88/654774988.db2.gz NZHPVUOLVVJULI-UHFFFAOYSA-N 1 0 395.301 2.808 20 0 GFADRO Cc1cc(Br)ccc1C[N@@H+]1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000124514072 654777118 /nfs/dbraw/zinc/77/71/18/654777118.db2.gz OUFQVECQSCZPCI-MRXNPFEDSA-N 1 0 381.314 2.828 20 0 GFADRO C[C@@H]1C[C@H](N(C)C(=O)c2cc(=O)[nH]c3ccc(Br)cc32)CC[N@@H+]1C ZINC000124548812 654778024 /nfs/dbraw/zinc/77/80/24/654778024.db2.gz PZKDUBSJNJXPEF-DGCLKSJQSA-N 1 0 392.297 2.845 20 0 GFADRO COCCN(C)CC[NH2+]Cc1ccc(Br)c(Br)c1 ZINC000124550781 654778279 /nfs/dbraw/zinc/77/82/79/654778279.db2.gz FVHZGXBAOQUETM-UHFFFAOYSA-N 1 0 380.124 2.879 20 0 GFADRO C[C@@H]1C[C@@H](N(C)C(=O)CCNC(=O)c2ccc(Br)cc2)CC[N@@H+]1C ZINC000124780895 654781182 /nfs/dbraw/zinc/78/11/82/654781182.db2.gz AWWPXGKSZXLTDO-CJNGLKHVSA-N 1 0 396.329 2.510 20 0 GFADRO O=C(CC[N@@H+]1CCCC[C@H]1[C@H]1CNC(=O)C1)Nc1ccc(Br)cc1 ZINC000125042405 654787141 /nfs/dbraw/zinc/78/71/41/654787141.db2.gz APVGEZOYXYJMFG-CJNGLKHVSA-N 1 0 394.313 2.768 20 0 GFADRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1c(Br)nc2n1CCCC2 ZINC000837653911 661009786 /nfs/dbraw/zinc/00/97/86/661009786.db2.gz QTVUYORAZHLUQF-STQMWFEESA-N 1 0 381.318 2.681 20 0 GFADRO C[NH+](C)CCCNC(=O)NC[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000057201348 654803171 /nfs/dbraw/zinc/80/31/71/654803171.db2.gz LEQQAYROYYKANQ-AWEZNQCLSA-N 1 0 383.334 2.526 20 0 GFADRO O=C(NCCCCC[NH+]1CCCC1)c1c(Br)nc2n1CCCC2 ZINC000837674826 661010932 /nfs/dbraw/zinc/01/09/32/661010932.db2.gz XMKJEFSRGJNRJX-UHFFFAOYSA-N 1 0 383.334 2.978 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)Nc1ccc(NS(C)(=O)=O)cc1)c1cccs1 ZINC000126350843 654812851 /nfs/dbraw/zinc/81/28/51/654812851.db2.gz SIWJXDRCVITAQH-CQSZACIVSA-N 1 0 382.511 2.544 20 0 GFADRO C[NH+](C)CC(C)(C)CNC(=S)NNC(=O)c1c(Cl)cccc1Cl ZINC000057970525 654813276 /nfs/dbraw/zinc/81/32/76/654813276.db2.gz GBOILFSJAIBCQS-UHFFFAOYSA-N 1 0 377.341 2.690 20 0 GFADRO COc1ccc(Br)cc1S(=O)(=O)NCC[N@@H+]1CCCC[C@@H]1C ZINC000058561799 654819899 /nfs/dbraw/zinc/81/98/99/654819899.db2.gz YBDFADCKLMEXEG-LBPRGKRZSA-N 1 0 391.331 2.610 20 0 GFADRO Cc1ccsc1C[NH2+]Cc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 ZINC000126830427 654822157 /nfs/dbraw/zinc/82/21/57/654822157.db2.gz CEIDXNQSIIGVOF-INIZCTEOSA-N 1 0 380.535 2.804 20 0 GFADRO O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000060113441 654826393 /nfs/dbraw/zinc/82/63/93/654826393.db2.gz YYSGWNUDGYDLBW-ZDUSSCGKSA-N 1 0 378.416 2.834 20 0 GFADRO C[N@@H+]1CC[C@@H](CNC(=O)C2(O)CCSCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000127372919 654828003 /nfs/dbraw/zinc/82/80/03/654828003.db2.gz BVBCLCLXQJSTAK-BBRMVZONSA-N 1 0 386.920 2.846 20 0 GFADRO C[C@H](NS(=O)(=O)c1cccs1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000060358034 654828254 /nfs/dbraw/zinc/82/82/54/654828254.db2.gz OIYDCMMLXVDWBG-ZDUSSCGKSA-N 1 0 383.514 2.679 20 0 GFADRO CC(C)C(=O)NC1CC[NH+](C[C@@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000061023441 654835277 /nfs/dbraw/zinc/83/52/77/654835277.db2.gz VFOZDKIBGRNIFJ-OAHLLOKOSA-N 1 0 389.323 2.970 20 0 GFADRO COc1ccccc1/C=C/C[NH2+]CCNS(=O)(=O)c1ccc(Cl)s1 ZINC000127927460 654837625 /nfs/dbraw/zinc/83/76/25/654837625.db2.gz ISJADSDQCZCSMG-GQCTYLIASA-N 1 0 386.926 2.991 20 0 GFADRO C[NH+](C)C1(CNC(=O)c2ccc(Cl)c(NS(C)(=O)=O)c2)CCCCC1 ZINC000061619907 654840962 /nfs/dbraw/zinc/84/09/62/654840962.db2.gz CQTOZYPNGYOUAL-UHFFFAOYSA-N 1 0 387.933 2.706 20 0 GFADRO CC(C)[N@H+](C)CCCNC(=O)C(=O)Nc1cccc(C2SCCS2)c1 ZINC000062122566 654843775 /nfs/dbraw/zinc/84/37/75/654843775.db2.gz FUHCZSWHXXVQPI-UHFFFAOYSA-N 1 0 381.567 2.950 20 0 GFADRO CCN(CCC[NH2+][C@H](C)c1cc(Cl)c(OC)cc1OC)S(C)(=O)=O ZINC000128358177 654844521 /nfs/dbraw/zinc/84/45/21/654844521.db2.gz DPJDORDANUXUMD-GFCCVEGCSA-N 1 0 378.922 2.679 20 0 GFADRO Cc1ccc(Cl)c(S(=O)(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)c1 ZINC000128368159 654844799 /nfs/dbraw/zinc/84/47/99/654844799.db2.gz NUQXCFQMPLGUFY-DLBZAZTESA-N 1 0 386.945 2.695 20 0 GFADRO O=C(C[C@@H]1CC[NH2+]C1)NCC1(c2ccc(Br)cc2)CCOCC1 ZINC000129018336 654854086 /nfs/dbraw/zinc/85/40/86/654854086.db2.gz IEBWOACZBVWMGC-AWEZNQCLSA-N 1 0 381.314 2.613 20 0 GFADRO C[C@@H](CNC(=O)CNC(=O)c1ccc(Cl)c(Cl)c1)[NH+]1CCC(C)CC1 ZINC000063699156 654856334 /nfs/dbraw/zinc/85/63/34/654856334.db2.gz JWKRGHOOBSYNGM-ZDUSSCGKSA-N 1 0 386.323 2.960 20 0 GFADRO CC[NH+]1CCN(CCCNC(=O)c2cc(-c3ccc(Cl)s3)on2)CC1 ZINC000063744584 654856907 /nfs/dbraw/zinc/85/69/07/654856907.db2.gz DBXIJHOATLGZFP-UHFFFAOYSA-N 1 0 382.917 2.814 20 0 GFADRO CC[NH+](CC)CCSCC(=O)NCc1cccnc1OCC(F)(F)F ZINC000266107259 654857442 /nfs/dbraw/zinc/85/74/42/654857442.db2.gz FGYJFRUFUYYOSR-UHFFFAOYSA-N 1 0 379.448 2.714 20 0 GFADRO C[NH+]1CCC(CNC(=O)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)CC1 ZINC000129134712 654858039 /nfs/dbraw/zinc/85/80/39/654858039.db2.gz KFNVRJRTYYPRHP-UHFFFAOYSA-N 1 0 377.794 2.755 20 0 GFADRO C[NH+]1CCC(CNC(=O)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000129153309 654858605 /nfs/dbraw/zinc/85/86/05/654858605.db2.gz HJSFSJQRCCXRSZ-UHFFFAOYSA-N 1 0 377.794 2.755 20 0 GFADRO COc1cc(Br)c(CN2CC[C@@H](C[NH+]3CCOCC3)C2)cc1OC ZINC000129206728 654860353 /nfs/dbraw/zinc/86/03/53/654860353.db2.gz JKFKJQICWTUHFB-AWEZNQCLSA-N 1 0 399.329 2.620 20 0 GFADRO COC1CC[NH+](C[C@@H](O)COc2ccc(Cl)cc2Br)CC1 ZINC000064139861 654863058 /nfs/dbraw/zinc/86/30/58/654863058.db2.gz OWQHVKLCYMUXSF-GFCCVEGCSA-N 1 0 378.694 2.953 20 0 GFADRO Cc1cc(Br)c(S(=O)(=O)N(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)s1 ZINC000266218651 654864085 /nfs/dbraw/zinc/86/40/85/654864085.db2.gz RREOMUGHQDQYHJ-CABZTGNLSA-N 1 0 381.361 2.780 20 0 GFADRO O=[S@](CC[N@@H+]1CC[C@H](CN2CCOCC2)C1)c1cc(Cl)ccc1Cl ZINC000129623894 654868884 /nfs/dbraw/zinc/86/88/84/654868884.db2.gz LNNUVEHFIRSXCY-BSEYFRJRSA-N 1 0 391.364 2.755 20 0 GFADRO COC(=O)CC[N@@H+](CC(=O)N(C)Cc1ccccc1Br)CC(C)C ZINC000064568767 654871840 /nfs/dbraw/zinc/87/18/40/654871840.db2.gz WYIWDAGIRVCDKM-UHFFFAOYSA-N 1 0 399.329 2.929 20 0 GFADRO COc1ccc(S(=O)(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)cc1 ZINC000064599534 654872959 /nfs/dbraw/zinc/87/29/59/654872959.db2.gz GONDJHNWLSHMBN-OAHLLOKOSA-N 1 0 380.535 2.947 20 0 GFADRO CC(C)C[N@H+](C)CCC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1Cl ZINC000065962630 654891617 /nfs/dbraw/zinc/89/16/17/654891617.db2.gz BRXLXILXOWKQAP-UHFFFAOYSA-N 1 0 375.922 2.507 20 0 GFADRO C[C@@H](CC(=O)Nc1ccc(Br)cc1)[N@H+](C)[C@@H](C)C[S@](C)=O ZINC000130974966 654894834 /nfs/dbraw/zinc/89/48/34/654894834.db2.gz MDSDAXHTTMXTGM-QSRBQVKKSA-N 1 0 375.332 2.865 20 0 GFADRO CC[C@H](C)[N@H+](C)CCNC(=O)CN1C(=S)N=NC1c1ccc(Cl)cc1 ZINC000066136811 654895753 /nfs/dbraw/zinc/89/57/53/654895753.db2.gz LODPBZCEUGBURN-LBPRGKRZSA-N 1 0 381.933 2.734 20 0 GFADRO CC[C@H](C)[N@H+](C)CCNC(=O)NCCC(=O)Nc1ccc(Br)cc1 ZINC000066187334 654896268 /nfs/dbraw/zinc/89/62/68/654896268.db2.gz RTPMAWSHUKGTPJ-ZDUSSCGKSA-N 1 0 399.333 2.807 20 0 GFADRO O=C(NCCCC[N@H+]1CCC[C@@H]1CO)[C@@H]1C[C@@H]1c1ccc(Br)cc1 ZINC000131497375 654908668 /nfs/dbraw/zinc/90/86/68/654908668.db2.gz RLVBXNWUDHVYBJ-KZNAEPCWSA-N 1 0 395.341 2.906 20 0 GFADRO CCCC(=O)N1CSC[C@H]1C(=O)NC[C@H](c1ccsc1)[NH+](CC)CC ZINC000066613464 654909296 /nfs/dbraw/zinc/90/92/96/654909296.db2.gz QIJPKYVZARBAAW-CVEARBPZSA-N 1 0 383.583 2.949 20 0 GFADRO Cc1nn(Cc2ccccc2Cl)c(Cl)c1CNC[C@](C)(O)C[NH+](C)C ZINC000131539627 654909633 /nfs/dbraw/zinc/90/96/33/654909633.db2.gz KHIYTQAGRFQGCQ-SFHVURJKSA-N 1 0 385.339 2.949 20 0 GFADRO CC[C@@H](CO)[NH+]1CCN(C(=O)CCc2ccc(Br)c(C)c2)CC1 ZINC000131606921 654910813 /nfs/dbraw/zinc/91/08/13/654910813.db2.gz COMYWLFBFAQZNX-INIZCTEOSA-N 1 0 383.330 2.605 20 0 GFADRO NS(=O)(=O)c1ccc(CC[N@@H+]2CC[C@H](Oc3ccccc3Cl)C2)cc1 ZINC000131615624 654911211 /nfs/dbraw/zinc/91/12/11/654911211.db2.gz JWDYZMJUJAJJHV-HNNXBMFYSA-N 1 0 380.897 2.683 20 0 GFADRO C[C@H](c1ccc([S@](C)=O)cc1)N(C)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000267134661 654912759 /nfs/dbraw/zinc/91/27/59/654912759.db2.gz DFMIZMWOUAYZIS-NXTRLVNHSA-N 1 0 383.583 2.564 20 0 GFADRO C[NH+](C)[C@]1(CNC(=O)C[C@@H]2Sc3ccc(Cl)cc3NC2=O)CCSC1 ZINC000267135004 654913151 /nfs/dbraw/zinc/91/31/51/654913151.db2.gz SLBNSBXYAUDHCS-YOEHRIQHSA-N 1 0 399.969 2.696 20 0 GFADRO C[NH+](C)[C@]1(CNC(=O)Nc2ccc(N3CCSCC3)cc2)CCSC1 ZINC000267183340 654915664 /nfs/dbraw/zinc/91/56/64/654915664.db2.gz KSGBJQKANRVZAM-SFHVURJKSA-N 1 0 380.583 2.799 20 0 GFADRO Cc1nc(NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)sc1SCC(N)=O ZINC000267204090 654917052 /nfs/dbraw/zinc/91/70/52/654917052.db2.gz FQEDEFAPUIUDBV-LBPRGKRZSA-N 1 0 382.555 2.622 20 0 GFADRO C[NH+](C)CCCOC1CCN(S(=O)(=O)c2cccc(Cl)c2F)CC1 ZINC000267256056 654920595 /nfs/dbraw/zinc/92/05/95/654920595.db2.gz JJNZOEQSVHUIAE-UHFFFAOYSA-N 1 0 378.897 2.601 20 0 GFADRO O=S(=O)(/C=C/c1ccc(Br)cc1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000066918532 654921469 /nfs/dbraw/zinc/92/14/69/654921469.db2.gz FCOQXFPYGWGTIK-OQRGYWNNSA-N 1 0 385.327 2.920 20 0 GFADRO CSc1ccc(NC(=O)C(=O)NC[C@]2([NH+](C)C)CCSC2)cc1Cl ZINC000267278546 654922051 /nfs/dbraw/zinc/92/20/51/654922051.db2.gz GJGSEQYPYUYPIH-MRXNPFEDSA-N 1 0 387.958 2.554 20 0 GFADRO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(C(=O)Nc2ccc(Cl)cc2Cl)CC1 ZINC000131966454 654923521 /nfs/dbraw/zinc/92/35/21/654923521.db2.gz NKFPZCBMJWPDCR-OAHLLOKOSA-N 1 0 385.295 2.939 20 0 GFADRO C[NH+](C)[C@@]1(CNC(=O)CSCC(=O)c2ccc(Cl)cc2)CCSC1 ZINC000267359688 654925224 /nfs/dbraw/zinc/92/52/24/654925224.db2.gz WHLGPCFTXRFKKS-QGZVFWFLSA-N 1 0 386.970 2.809 20 0 GFADRO COc1ccc(SCCC(=O)NC[C@@]2([NH+](C)C)CCSC2)cc1OC ZINC000267353013 654925343 /nfs/dbraw/zinc/92/53/43/654925343.db2.gz VFJKUVXFXUGERG-SFHVURJKSA-N 1 0 384.567 2.740 20 0 GFADRO O=C(/C=C/c1ccc(Br)s1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000267377894 654925995 /nfs/dbraw/zinc/92/59/95/654925995.db2.gz OLNBZMLIHRZCCQ-OHVSUOQFSA-N 1 0 385.327 2.705 20 0 GFADRO O=C(/C=C/c1ccc(Br)cc1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000267396337 654926891 /nfs/dbraw/zinc/92/68/91/654926891.db2.gz ROPNOQCNRAHSLN-WUTVXBCWSA-N 1 0 379.298 2.643 20 0 GFADRO CCc1ncc(C[NH2+]C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)s1 ZINC000267601549 654937354 /nfs/dbraw/zinc/93/73/54/654937354.db2.gz DYYNOBVOTAVAOJ-UHFFFAOYSA-N 1 0 379.551 2.957 20 0 GFADRO CSCC[C@@H]1NC(=S)N(C[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1=O ZINC000067507296 654939750 /nfs/dbraw/zinc/93/97/50/654939750.db2.gz JHVJOUMOGYKBIF-IRXDYDNUSA-N 1 0 377.579 2.737 20 0 GFADRO CCn1c(C[NH2+]CC[C@@H](C)CCO)nc(Br)c1Br ZINC000922152002 664588015 /nfs/dbraw/zinc/58/80/15/664588015.db2.gz FBHHIJHJEUUIEY-SECBINFHSA-N 1 0 383.128 2.926 20 0 GFADRO CC(C)(C)[N@H+](CCCN1C(=O)CNC1=O)Cc1ccccc1Br ZINC000132630407 654944185 /nfs/dbraw/zinc/94/41/85/654944185.db2.gz LTQWFAWVZSSVGU-UHFFFAOYSA-N 1 0 382.302 2.992 20 0 GFADRO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)CNC(=O)c1cccs1 ZINC000267816018 654947425 /nfs/dbraw/zinc/94/74/25/654947425.db2.gz GQZHSGOSEZSQHX-UHFFFAOYSA-N 1 0 379.448 2.601 20 0 GFADRO CC[NH+](CC)CCN(C(=O)[C@@H]1COCCO1)c1cccc(Br)c1 ZINC000067929427 654948433 /nfs/dbraw/zinc/94/84/33/654948433.db2.gz DCZDVQJAFALSRM-INIZCTEOSA-N 1 0 385.302 2.539 20 0 GFADRO Cn1nccc1[C@H](O)C[NH2+]Cc1cc(Cl)ccc1I ZINC000922970412 664620182 /nfs/dbraw/zinc/62/01/82/664620182.db2.gz NKBMYOCFKPWGIN-CYBMUJFWSA-N 1 0 391.640 2.501 20 0 GFADRO C[NH+](C)CCN(Cc1ccco1)C(=O)c1[nH]nc(C2CC2)c1Br ZINC000268025143 654956360 /nfs/dbraw/zinc/95/63/60/654956360.db2.gz VGLYJMDUKUBCEB-UHFFFAOYSA-N 1 0 381.274 2.847 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)[C@@H]1CSCN1C(=O)CC(C)(C)C)c1ccsc1 ZINC000068393572 654961435 /nfs/dbraw/zinc/96/14/35/654961435.db2.gz WDWJOQXBBFZTMA-GJZGRUSLSA-N 1 0 383.583 2.805 20 0 GFADRO CC[N@H+](C)C[C@H]1CCN(S(=O)(=O)c2ccc(Br)cc2C)C1 ZINC000133400241 654963251 /nfs/dbraw/zinc/96/32/51/654963251.db2.gz UNXYQBKLZYRZSJ-CYBMUJFWSA-N 1 0 375.332 2.720 20 0 GFADRO O=C(Nc1cc(F)ccc1Br)C(=O)N1CCC[C@H](c2ncc[nH]2)C1 ZINC000268215276 654963698 /nfs/dbraw/zinc/96/36/98/654963698.db2.gz VGDHYULBLFWCKS-JTQLQIEISA-N 1 0 395.232 2.656 20 0 GFADRO C[C@@H](NC(=O)C(=O)Nc1ccc(Br)c(F)c1)C(C)(C)C[NH+](C)C ZINC000133504130 654965120 /nfs/dbraw/zinc/96/51/20/654965120.db2.gz UKUPAPYCGZMHKI-SNVBAGLBSA-N 1 0 388.281 2.619 20 0 GFADRO COc1cccc([C@H](C[NH2+][C@@H](C)Cn2cc(Br)cn2)N(C)C)c1 ZINC000133685313 654970823 /nfs/dbraw/zinc/97/08/23/654970823.db2.gz REHFHNQMDQWLQD-GUYCJALGSA-N 1 0 381.318 2.935 20 0 GFADRO COc1ccc(Br)c(C(=O)NCCC[NH2+]Cc2ccncc2)c1 ZINC000068981795 654970813 /nfs/dbraw/zinc/97/08/13/654970813.db2.gz ZVCYJUOSXYTRHS-UHFFFAOYSA-N 1 0 378.270 2.762 20 0 GFADRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)C[C@H]2Sc3ccc(Cl)cc3NC2=O)C1 ZINC000068974636 654970871 /nfs/dbraw/zinc/97/08/71/654970871.db2.gz BERIKNHCLQJBRY-BLLLJJGKSA-N 1 0 381.929 2.989 20 0 GFADRO C[C@H](CNS(=O)(=O)c1ccc(Br)cc1Cl)[N@H+](C)C1CC1 ZINC000069129538 654974205 /nfs/dbraw/zinc/97/42/05/654974205.db2.gz XVZIDRVINJTSFL-SECBINFHSA-N 1 0 381.723 2.864 20 0 GFADRO CC(C)[NH+]1CCC(O)(CNC(=O)C2(c3cccc(Br)c3)CC2)CC1 ZINC000268499568 654974991 /nfs/dbraw/zinc/97/49/91/654974991.db2.gz UQEDOFZGFBVBIX-UHFFFAOYSA-N 1 0 395.341 2.832 20 0 GFADRO CC(C)[NH+]1CCC(O)(CNC(=O)COc2cc(Cl)ccc2Cl)CC1 ZINC000268503682 654975323 /nfs/dbraw/zinc/97/53/23/654975323.db2.gz VVIFWLLGZQWYJR-UHFFFAOYSA-N 1 0 375.296 2.724 20 0 GFADRO C[NH+](C)CCCOc1ccc(NC(=O)NCc2n[nH]cc2Br)cc1 ZINC000069343185 654980316 /nfs/dbraw/zinc/98/03/16/654980316.db2.gz VFNNUWQBTPTTMW-UHFFFAOYSA-N 1 0 396.289 2.824 20 0 GFADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)Nc1ccc2cc(Br)ccc2c1 ZINC000268685814 654982630 /nfs/dbraw/zinc/98/26/30/654982630.db2.gz GFZZOQGQYJFXEI-QGZVFWFLSA-N 1 0 391.313 2.970 20 0 GFADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)CCc1ccc(OC)c(Br)c1 ZINC000069531867 654983136 /nfs/dbraw/zinc/98/31/36/654983136.db2.gz OIUCWUPFMGPZHN-OAHLLOKOSA-N 1 0 399.329 2.617 20 0 GFADRO C[C@@H](CNC(=O)C(=O)Nc1ccc2cc(Br)ccc2c1)[NH+](C)C ZINC000268749592 654985470 /nfs/dbraw/zinc/98/54/70/654985470.db2.gz WGTSAXYZKSGONX-NSHDSACASA-N 1 0 378.270 2.607 20 0 GFADRO COc1ccc([C@H](C)[NH2+][C@H]2CCCN(S(C)(=O)=O)C2)cc1Br ZINC000268976274 654993622 /nfs/dbraw/zinc/99/36/22/654993622.db2.gz GTVGRIOAGAZWFW-AAEUAGOBSA-N 1 0 391.331 2.532 20 0 GFADRO CCC(=O)N1CC[C@@H]([NH2+]Cc2nc(-c3ccc(Br)cc3)c[nH]2)C1 ZINC000134542403 654996091 /nfs/dbraw/zinc/99/60/91/654996091.db2.gz CHNVHZJHEOFZIW-CQSZACIVSA-N 1 0 377.286 2.940 20 0 GFADRO C[NH+](C)[C@]1(CNC(=O)C(=O)Nc2cc(C(F)F)ccc2Cl)CCSC1 ZINC000269092345 654997357 /nfs/dbraw/zinc/99/73/57/654997357.db2.gz LAXYMVVMIRHMJV-INIZCTEOSA-N 1 0 391.871 2.770 20 0 GFADRO C[C@@H](CNC(=O)C(=O)Nc1ccc(Cl)cc1C(F)(F)F)[NH+]1CCCC1 ZINC000070965390 654997490 /nfs/dbraw/zinc/99/74/90/654997490.db2.gz DEEJUQVFFUHBBU-JTQLQIEISA-N 1 0 377.794 2.898 20 0 GFADRO C[C@@H](CNC(=O)C(=O)Nc1ccccc1SC(F)(F)F)[NH+]1CCCC1 ZINC000070965318 654997506 /nfs/dbraw/zinc/99/75/06/654997506.db2.gz MMOJXZKGMYPEQV-NSHDSACASA-N 1 0 375.416 2.838 20 0 GFADRO C[NH2+]CC1CCN(C(=O)c2cc(F)ccc2I)CC1 ZINC000269148507 654999723 /nfs/dbraw/zinc/99/97/23/654999723.db2.gz LLFNTJCLZQVKRT-UHFFFAOYSA-N 1 0 376.213 2.502 20 0 GFADRO C[C@]1(C(=O)N2CCC(C(=O)Nc3cccc(Br)c3)CC2)CC[NH2+]C1 ZINC000269210112 655001640 /nfs/dbraw/zinc/00/16/40/655001640.db2.gz BNVKFMVMAWYGBA-SFHVURJKSA-N 1 0 394.313 2.626 20 0 GFADRO CN(Cc1ccccc1Br)C(=O)CCNC(=O)CCCCCC[NH3+] ZINC000269221243 655002039 /nfs/dbraw/zinc/00/20/39/655002039.db2.gz NOQRAWCHNMZULL-UHFFFAOYSA-N 1 0 398.345 2.823 20 0 GFADRO [NH3+]CCCCCCC(=O)NCCCNC(=O)c1cccc(Br)c1 ZINC000269235620 655002286 /nfs/dbraw/zinc/00/22/86/655002286.db2.gz UHOMQEOQPDEWFN-UHFFFAOYSA-N 1 0 384.318 2.594 20 0 GFADRO CCCn1c2ccc(S(N)(=O)=O)cc2nc1SCC[NH+]1CCCCC1 ZINC000072040050 655002413 /nfs/dbraw/zinc/00/24/13/655002413.db2.gz CSDQWFWLSNPNQN-UHFFFAOYSA-N 1 0 382.555 2.672 20 0 GFADRO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000269236797 655002565 /nfs/dbraw/zinc/00/25/65/655002565.db2.gz WXRGZIAULDHAIR-TVQRCGJNSA-N 1 0 379.254 2.673 20 0 GFADRO C[C@@H]1CN(C(=O)CCc2nc(-c3cc(Br)cs3)no2)CC[C@H]1[NH3+] ZINC000269244059 655002851 /nfs/dbraw/zinc/00/28/51/655002851.db2.gz YYNAESGWESYQMI-MWLCHTKSSA-N 1 0 399.314 2.689 20 0 GFADRO CCOc1cc(Br)c(NC(=O)C[C@@H]2C[NH2+]CCO2)cc1OCC ZINC000269275570 655003756 /nfs/dbraw/zinc/00/37/56/655003756.db2.gz ZSSGIEWWQWUTKA-LLVKDONJSA-N 1 0 387.274 2.564 20 0 GFADRO C[NH+](C)Cc1ccc(CNS(=O)(=O)c2cc(F)c(F)cc2F)cc1F ZINC000134900285 655005571 /nfs/dbraw/zinc/00/55/71/655005571.db2.gz PUYOMIJYPJDNIK-UHFFFAOYSA-N 1 0 376.375 2.783 20 0 GFADRO C[C@@H](C(=O)NCCNC(=O)c1cccc(Br)c1)[NH+]1CCCCCC1 ZINC000079309555 655007109 /nfs/dbraw/zinc/00/71/09/655007109.db2.gz FDXCRPNIDNNHAU-AWEZNQCLSA-N 1 0 396.329 2.560 20 0 GFADRO C[C@@H]1CN(C(=O)NCC[C@]2(C)CC2(Cl)Cl)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000838687582 661054509 /nfs/dbraw/zinc/05/45/09/661054509.db2.gz RKCCFOGNVAIXQG-HLLBOEOZSA-N 1 0 391.387 2.628 20 0 GFADRO Cc1cc(CN2CCC[C@H](CNS(C)(=O)=O)C2)c(OC(F)F)cc1C ZINC000269541158 655013151 /nfs/dbraw/zinc/01/31/51/655013151.db2.gz WVZSMDKYYLVDBA-CQSZACIVSA-N 1 0 376.469 2.666 20 0 GFADRO COC(=O)[C@@H](O)C1CC[NH+](CCC(=O)Nc2c(Cl)cccc2Cl)CC1 ZINC000135344424 655014044 /nfs/dbraw/zinc/01/40/44/655014044.db2.gz PWQWFXVVDMKMGK-INIZCTEOSA-N 1 0 389.279 2.568 20 0 GFADRO COC(=O)Cn1cc(CC[N@H+](Cc2cccc(Br)c2)C(C)C)nn1 ZINC000269586521 655014202 /nfs/dbraw/zinc/01/42/02/655014202.db2.gz RJPUQCGRGLGJGR-UHFFFAOYSA-N 1 0 395.301 2.667 20 0 GFADRO C[NH+]1CCN(c2ncccc2CNC(=O)CCc2cc(Cl)cs2)CC1 ZINC000135412677 655015944 /nfs/dbraw/zinc/01/59/44/655015944.db2.gz OWRJNIFVYRTXRH-UHFFFAOYSA-N 1 0 378.929 2.797 20 0 GFADRO C[N@@H+]1CCC[C@H](CCNC(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)C1 ZINC000838764568 661056269 /nfs/dbraw/zinc/05/62/69/661056269.db2.gz FGFDJNKMTUJBAT-GFCCVEGCSA-N 1 0 375.441 2.536 20 0 GFADRO COc1cc(C[N@H+](C)C[C@H]2CCOC2)cc(I)c1OC ZINC000093840270 655021277 /nfs/dbraw/zinc/02/12/77/655021277.db2.gz GZDILEMZEJZYMW-LLVKDONJSA-N 1 0 391.249 2.777 20 0 GFADRO CNC(=O)[C@@H](C)C[N@H+](C)Cc1cn(-c2ccc(Br)cc2)nc1C ZINC000093898745 655021841 /nfs/dbraw/zinc/02/18/41/655021841.db2.gz ILZBZHKTNGWARV-LBPRGKRZSA-N 1 0 379.302 2.757 20 0 GFADRO CC(C)[NH+]1CCC(O)(CNS(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000269845324 655024420 /nfs/dbraw/zinc/02/44/20/655024420.db2.gz QICHCFWJMIROCJ-UHFFFAOYSA-N 1 0 381.325 2.507 20 0 GFADRO CC[NH+](CC)CCN(CC(C)C)C(=O)c1cnn2cc(Br)cnc12 ZINC000094021128 655026176 /nfs/dbraw/zinc/02/61/76/655026176.db2.gz IYDUDBMTRWRUMP-UHFFFAOYSA-N 1 0 396.333 2.932 20 0 GFADRO O=C(c1cccnc1Br)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000136138536 655028042 /nfs/dbraw/zinc/02/80/42/655028042.db2.gz HNYRJGNHEOXHFF-UHFFFAOYSA-N 1 0 382.302 2.561 20 0 GFADRO CC(C)[NH+](CCNC(=O)N[C@@H](CO)c1cccc(Br)c1)C(C)C ZINC000136267415 655029119 /nfs/dbraw/zinc/02/91/19/655029119.db2.gz ZAKKHMQJNRAJEN-INIZCTEOSA-N 1 0 386.334 2.901 20 0 GFADRO CSCC[C@@H](CO)NC(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000136360772 655030565 /nfs/dbraw/zinc/03/05/65/655030565.db2.gz BKCCNUWCDVWDGN-JKSUJKDBSA-N 1 0 385.599 2.934 20 0 GFADRO CSCC[C@@H]1NC(=S)N(C[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)C1=O ZINC000136525658 655033020 /nfs/dbraw/zinc/03/30/20/655033020.db2.gz QRSRCSKAPOPKFQ-XIRDDKMYSA-N 1 0 377.579 2.735 20 0 GFADRO CC1=CC[N@H+](CCC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2Cl)CC1 ZINC000270122644 655034756 /nfs/dbraw/zinc/03/47/56/655034756.db2.gz FXWIZRYDPYEWAX-UHFFFAOYSA-N 1 0 385.917 2.571 20 0 GFADRO CSCC[C@H](CO)NC(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000136808421 655035565 /nfs/dbraw/zinc/03/55/65/655035565.db2.gz XBNNUVOIIIXAKQ-SJORKVTESA-N 1 0 385.961 2.890 20 0 GFADRO CN(C)S(=O)(=O)c1ccc(C[NH2+]Cc2cnc([C@@H]3CCCO3)s2)cc1 ZINC000270280693 655039880 /nfs/dbraw/zinc/03/98/80/655039880.db2.gz YAIMETRQOKUTDC-INIZCTEOSA-N 1 0 381.523 2.535 20 0 GFADRO C[N@H+](CCCO)C1CCN(C(=O)c2cc(F)c(F)cc2Br)CC1 ZINC000270353137 655041977 /nfs/dbraw/zinc/04/19/77/655041977.db2.gz GUHIJSCKIVOJQH-UHFFFAOYSA-N 1 0 391.256 2.646 20 0 GFADRO C[C@@H](C(=O)N1CCC([N@H+](C)CCCO)CC1)c1ccc(Br)s1 ZINC000270393114 655043099 /nfs/dbraw/zinc/04/30/99/655043099.db2.gz SUIUMNSGBYEASM-GFCCVEGCSA-N 1 0 389.359 2.919 20 0 GFADRO CC[N@@H+]1CC[C@@H](CNC(=O)C2(c3ccc(Br)cc3)CCOCC2)C1 ZINC000101689025 655046053 /nfs/dbraw/zinc/04/60/53/655046053.db2.gz SZKFFSONQTYHFR-HNNXBMFYSA-N 1 0 395.341 2.955 20 0 GFADRO CC[N@@H+]1CCCN(C(=O)[C@]23CCC(=O)N2c2cc(Cl)ccc2S3)CC1 ZINC000101694919 655046384 /nfs/dbraw/zinc/04/63/84/655046384.db2.gz BQUPIIVELKPYNR-GOSISDBHSA-N 1 0 379.913 2.823 20 0 GFADRO CC[NH+](CC)CC(=O)N1CCC(C(=O)Nc2ccccc2Br)CC1 ZINC000101876377 655047850 /nfs/dbraw/zinc/04/78/50/655047850.db2.gz IQBDVFKBPLKJPR-UHFFFAOYSA-N 1 0 396.329 2.968 20 0 GFADRO Cc1cc(C(=O)NCCCC[N@@H+]2CCC[C@H]2CO)c(Br)s1 ZINC000270586574 655049904 /nfs/dbraw/zinc/04/99/04/655049904.db2.gz BNZXEHIRBNFNSF-LBPRGKRZSA-N 1 0 375.332 2.786 20 0 GFADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)Nc1ccc(Br)cc1 ZINC000102050830 655050062 /nfs/dbraw/zinc/05/00/62/655050062.db2.gz MQOMZAUGTDNBBN-HNNXBMFYSA-N 1 0 397.317 2.513 20 0 GFADRO CC(C)[N@H+](C)CCNC(=O)N1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000102059948 655050266 /nfs/dbraw/zinc/05/02/66/655050266.db2.gz ASNVNWIBZJIEEZ-INIZCTEOSA-N 1 0 384.318 2.872 20 0 GFADRO O=S(=O)(NCC[NH2+]CC1=Cc2ccccc2OC1)c1cccc(Cl)c1 ZINC000102425328 655055156 /nfs/dbraw/zinc/05/51/56/655055156.db2.gz OUJTYEJETSRRCZ-UHFFFAOYSA-N 1 0 378.881 2.684 20 0 GFADRO COCC[N@@H+]1CCCN(C(=O)[C@@H](C)Cc2ccc(Br)cc2)CC1 ZINC000270821550 655056949 /nfs/dbraw/zinc/05/69/49/655056949.db2.gz OFMDOTNBJOHQBU-HNNXBMFYSA-N 1 0 383.330 2.808 20 0 GFADRO C[C@H](C(=O)Nc1ccc(=O)n(CC[NH+](C)C)c1)c1ccc(Br)cc1 ZINC000270863809 655058067 /nfs/dbraw/zinc/05/80/67/655058067.db2.gz ACMAWUKYDQOKSJ-ZDUSSCGKSA-N 1 0 392.297 2.915 20 0 GFADRO C[C@@H](NC(=O)NNc1c(Cl)cc(Cl)cc1Cl)[C@@H]1CN(C)CCO1 ZINC000152564080 655059902 /nfs/dbraw/zinc/05/99/02/655059902.db2.gz OUDLALZBPJICJT-PELKAZGASA-N 1 0 381.691 2.992 20 0 GFADRO CC(C)N1CC[NH+](C2CCN(Cc3cncc(Br)c3)CC2)CC1 ZINC000270965507 655061988 /nfs/dbraw/zinc/06/19/88/655061988.db2.gz VPEXGMDAXRPRDJ-UHFFFAOYSA-N 1 0 381.362 2.835 20 0 GFADRO Cc1ccc(O)c(C[NH2+]CCCNC(=O)c2ccc(Br)cc2)n1 ZINC000103344877 655071524 /nfs/dbraw/zinc/07/15/24/655071524.db2.gz RXRXQHLKTNHQPL-UHFFFAOYSA-N 1 0 378.270 2.768 20 0 GFADRO CN(CC1CC[NH+](C)CC1)C(=O)NCCOc1ccc(Br)cc1 ZINC000103514632 655074164 /nfs/dbraw/zinc/07/41/64/655074164.db2.gz NCYLLYCGBICUQA-UHFFFAOYSA-N 1 0 384.318 2.811 20 0 GFADRO C[N@H+](CCC(=O)Nc1ccc(Br)cc1F)CCc1cnccn1 ZINC000271304976 655075561 /nfs/dbraw/zinc/07/55/61/655075561.db2.gz GHXDSQDAJOKRPV-UHFFFAOYSA-N 1 0 381.249 2.881 20 0 GFADRO O[C@H](C[N@@H+]1CCCC[C@@H]1CN1CCOCC1)c1ccccc1Br ZINC000154669308 655077585 /nfs/dbraw/zinc/07/75/85/655077585.db2.gz ZPFSUJBLDJAACM-CRAIPNDOSA-N 1 0 383.330 2.669 20 0 GFADRO CCOc1cc(Br)c(CC(=O)NC[C@@H]2CC[N@H+](C)C2)cc1OCC ZINC000104187756 655079464 /nfs/dbraw/zinc/07/94/64/655079464.db2.gz JBAFXQAYSNDQFK-ZDUSSCGKSA-N 1 0 399.329 2.857 20 0 GFADRO COc1ccc([C@H](C[NH+]2CCCC2)NC(=O)CSc2nncs2)cc1 ZINC000271426949 655081059 /nfs/dbraw/zinc/08/10/59/655081059.db2.gz ZREPXIJJQBNXQV-HNNXBMFYSA-N 1 0 378.523 2.592 20 0 GFADRO COc1cc[nH+]c(N2CCN(C(=O)c3cc(Br)ccc3F)CC2)c1 ZINC000104516547 655081695 /nfs/dbraw/zinc/08/16/95/655081695.db2.gz DEOWUEXRGMNAHB-UHFFFAOYSA-N 1 0 394.244 2.954 20 0 GFADRO CC(C)[N@H+](C)CCNC(=O)C(=O)Nc1ccc2cc(Br)ccc2c1 ZINC000156116029 655089684 /nfs/dbraw/zinc/08/96/84/655089684.db2.gz WALZLHFCPBFDPQ-UHFFFAOYSA-N 1 0 392.297 2.997 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCN(c2ccc(Cl)cc2)C1)c1cccc(S(N)(=O)=O)c1 ZINC000272004141 655100722 /nfs/dbraw/zinc/10/07/22/655100722.db2.gz SHHMWLNQSBVKLE-XJKSGUPXSA-N 1 0 379.913 2.917 20 0 GFADRO C[C@@H](O)C[N@@H+]1CCN(Cc2nnc(-c3ccc(Cl)cc3Cl)o2)C[C@H]1C ZINC000106097676 655102348 /nfs/dbraw/zinc/10/23/48/655102348.db2.gz HVKLZDCDCZGZQY-VXGBXAGGSA-N 1 0 385.295 2.930 20 0 GFADRO COc1cc(Br)c(CN2CC[NH+](CC3CCOCC3)CC2)cc1O ZINC000272298948 655108573 /nfs/dbraw/zinc/10/85/73/655108573.db2.gz PJQZJHCOYOKQOZ-UHFFFAOYSA-N 1 0 399.329 2.708 20 0 GFADRO COc1cc(C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@H]32)cc(OC)c1Br ZINC000272461103 655113624 /nfs/dbraw/zinc/11/36/24/655113624.db2.gz KICSVUBWTJZHLP-WCQYABFASA-N 1 0 383.286 2.633 20 0 GFADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc(F)cc3I)[C@H]2C1 ZINC000272542239 655115872 /nfs/dbraw/zinc/11/58/72/655115872.db2.gz RZPBHJJQZFSFRU-YGRLFVJLSA-N 1 0 388.224 2.597 20 0 GFADRO O=C(Nc1ccccc1Br)C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000106963064 655115856 /nfs/dbraw/zinc/11/58/56/655115856.db2.gz VDQZQNJPLUWFTB-GFCCVEGCSA-N 1 0 380.286 2.521 20 0 GFADRO CS(=O)(=O)CCN1CCC([NH2+][C@H]2CCSc3ccc(Cl)cc32)CC1 ZINC000159938387 655117965 /nfs/dbraw/zinc/11/79/65/655117965.db2.gz OWKJRDNJKBYTLS-INIZCTEOSA-N 1 0 388.986 2.976 20 0 GFADRO C[N@@H+]1CC[C@H]2CCN(C(=O)c3ccn(-c4cccc(Br)c4)n3)[C@@H]2C1 ZINC000272657341 655118089 /nfs/dbraw/zinc/11/80/89/655118089.db2.gz QTWBBTKLWUGMTF-SUMWQHHRSA-N 1 0 389.297 2.801 20 0 GFADRO Cc1ccc(I)c(C(=O)N[C@H](C)C2=CC[N@H+](C)CC2)c1 ZINC000272669247 655118561 /nfs/dbraw/zinc/11/85/61/655118561.db2.gz ILFPNHSLTVZTQC-GFCCVEGCSA-N 1 0 384.261 2.980 20 0 GFADRO C[C@H]([NH2+]CCOc1ccc(Br)cc1)c1cccc(S(N)(=O)=O)c1 ZINC000272703920 655119799 /nfs/dbraw/zinc/11/97/99/655119799.db2.gz SYCUXSWSERMIIC-LBPRGKRZSA-N 1 0 399.310 2.826 20 0 GFADRO CC[NH+]1CCN(CCCNC(=O)CCc2cc(Br)cs2)CC1 ZINC000107345847 655120054 /nfs/dbraw/zinc/12/00/54/655120054.db2.gz QZJXPQJWNCDVRP-UHFFFAOYSA-N 1 0 388.375 2.587 20 0 GFADRO C[N@H+](CCCOc1ccc(Cl)cc1)CCc1ccc(S(N)(=O)=O)cc1 ZINC000107910003 655126282 /nfs/dbraw/zinc/12/62/82/655126282.db2.gz NHPJUZRMGNQFKW-UHFFFAOYSA-N 1 0 382.913 2.931 20 0 GFADRO COc1c(C)cnc(CNC(=O)c2cncc(I)c2)c1C ZINC000161750838 655128396 /nfs/dbraw/zinc/12/83/96/655128396.db2.gz FOMVUWFDPBHHJV-UHFFFAOYSA-N 1 0 397.216 2.637 20 0 GFADRO O=S(=O)(c1c(Cl)nc2ccccn21)N1CCC[C@@H]([NH+]2CCCCC2)C1 ZINC000108401342 655131964 /nfs/dbraw/zinc/13/19/64/655131964.db2.gz UXBIQPBCESVCRJ-CQSZACIVSA-N 1 0 382.917 2.627 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)c2cnn(C)c2Br)CC[N@@H+]1Cc1ccccc1 ZINC000273264543 655136930 /nfs/dbraw/zinc/13/69/30/655136930.db2.gz UEVMDFQIFMMQNR-HIFRSBDPSA-N 1 0 391.313 2.966 20 0 GFADRO CC[NH+](CC)Cc1ccccc1CNC(=O)c1cnn(C)c1Br ZINC000273275841 655137475 /nfs/dbraw/zinc/13/74/75/655137475.db2.gz PLIFZGAKYGEAIU-UHFFFAOYSA-N 1 0 379.302 2.954 20 0 GFADRO C[NH+](C)CCCN(C(=O)c1cc(Cl)cc(Cl)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000273416338 655142572 /nfs/dbraw/zinc/14/25/72/655142572.db2.gz CVGJHYUNBFMYGW-OAHLLOKOSA-N 1 0 393.336 2.574 20 0 GFADRO C[NH+](C)CCCN(C(=O)c1ccc(Cl)c(Cl)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000273414884 655142617 /nfs/dbraw/zinc/14/26/17/655142617.db2.gz CTNXJUJTWVNPHJ-CYBMUJFWSA-N 1 0 393.336 2.574 20 0 GFADRO C[NH+](C)CCCN(C(=O)c1ccc(Cl)c(Cl)c1)[C@H]1CCS(=O)(=O)C1 ZINC000273414888 655142711 /nfs/dbraw/zinc/14/27/11/655142711.db2.gz CTNXJUJTWVNPHJ-ZDUSSCGKSA-N 1 0 393.336 2.574 20 0 GFADRO COc1cc(C)c([C@H](C)[NH2+]C[C@@H](O)CS(=O)(=O)c2cccs2)cc1C ZINC000273428618 655143207 /nfs/dbraw/zinc/14/32/07/655143207.db2.gz YTFAXWAIOCUJLM-LSDHHAIUSA-N 1 0 383.535 2.859 20 0 GFADRO Ic1cccc(-c2nc([C@@H]3C[N@@H+]4CCC[C@@H]4CO3)no2)c1 ZINC000273864721 655161549 /nfs/dbraw/zinc/16/15/49/655161549.db2.gz DFRCZYWNJAZZAR-OLZOCXBDSA-N 1 0 397.216 2.877 20 0 GFADRO CS[C@@H]1CN(C[C@@H](O)c2ccccc2Br)C[C@H]1[NH+]1CCCC1 ZINC000273920188 655164502 /nfs/dbraw/zinc/16/45/02/655164502.db2.gz BGBNTBSQHQGNGZ-BRWVUGGUSA-N 1 0 385.371 2.994 20 0 GFADRO C[C@H](C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1)c1ccc(Br)s1 ZINC000173402892 655170058 /nfs/dbraw/zinc/17/00/58/655170058.db2.gz YHENRMFRMZAPNS-STQMWFEESA-N 1 0 388.375 2.614 20 0 GFADRO O=C1CCCN1CCC[NH2+]Cc1nc(-c2cccc(Br)c2)c[nH]1 ZINC000111382846 655172179 /nfs/dbraw/zinc/17/21/79/655172179.db2.gz MUPYSJXRABWMFN-UHFFFAOYSA-N 1 0 377.286 2.941 20 0 GFADRO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@H]1N2C(=O)c1cnn(C)c1Br ZINC000274107317 655173296 /nfs/dbraw/zinc/17/32/96/655173296.db2.gz UXMHHNYOKMIDJM-GOEBONIOSA-N 1 0 389.297 2.939 20 0 GFADRO Cn1ncc(C(=O)NCc2cccc(C[NH+]3CCCC3)c2)c1Br ZINC000274124102 655174298 /nfs/dbraw/zinc/17/42/98/655174298.db2.gz BIRPRXXHQYGZHS-UHFFFAOYSA-N 1 0 377.286 2.708 20 0 GFADRO Cc1c(Br)cccc1NC(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000111748510 655176922 /nfs/dbraw/zinc/17/69/22/655176922.db2.gz RVFPETNPUIBOHD-UHFFFAOYSA-N 1 0 383.334 2.907 20 0 GFADRO Cc1cc(Cl)ncc1NC(=O)C(=O)N(CC[NH+](C)C)Cc1ccsc1 ZINC000839593548 661094509 /nfs/dbraw/zinc/09/45/09/661094509.db2.gz WOSJHZHPWUOHNR-UHFFFAOYSA-N 1 0 380.901 2.634 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)c2cnn(C)c2Br)C[N@@H+]1Cc1ccccc1 ZINC000274194025 655178264 /nfs/dbraw/zinc/17/82/64/655178264.db2.gz LDILJLIOBURQRU-OCCSQVGLSA-N 1 0 377.286 2.575 20 0 GFADRO Cn1ncc(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)c1Br ZINC000274198578 655178808 /nfs/dbraw/zinc/17/88/08/655178808.db2.gz LSJISJQVKDAZSN-AWEZNQCLSA-N 1 0 377.286 2.577 20 0 GFADRO OC[C@H]1CCN(Cc2ccccc2)C[C@@H]1[NH2+]Cc1cncc(Br)c1 ZINC000274301567 655184324 /nfs/dbraw/zinc/18/43/24/655184324.db2.gz FRPOHCDQKZFZJG-MJGOQNOKSA-N 1 0 390.325 2.817 20 0 GFADRO C[NH+](C)CCn1ccc(NC(=O)NC[C@H](O)c2ccc(Cl)cc2Cl)n1 ZINC000173915617 655185199 /nfs/dbraw/zinc/18/51/99/655185199.db2.gz YFDQIOPGBQNDGD-AWEZNQCLSA-N 1 0 386.283 2.607 20 0 GFADRO C[C@H](CN1CCOCC1)[NH2+]Cc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000112371948 655190089 /nfs/dbraw/zinc/19/00/89/655190089.db2.gz BPWWOJKIEJDQAM-CYBMUJFWSA-N 1 0 379.302 2.650 20 0 GFADRO C[N@H+](C[C@H](O)COc1ccccc1)C[C@@H](O)c1cccc(Br)c1 ZINC000839637285 661097206 /nfs/dbraw/zinc/09/72/06/661097206.db2.gz WPHHOYRSFSFNCR-FUHWJXTLSA-N 1 0 380.282 2.854 20 0 GFADRO C[N@H+](C[C@@H](O)COc1ccccc1)C[C@H](O)c1cccc(Br)c1 ZINC000839637283 661097384 /nfs/dbraw/zinc/09/73/84/661097384.db2.gz WPHHOYRSFSFNCR-AEFFLSMTSA-N 1 0 380.282 2.854 20 0 GFADRO C[N@@H+](C[C@H](O)c1cccc(Br)c1)C[C@H](O)COc1ccccc1F ZINC000839635757 661097395 /nfs/dbraw/zinc/09/73/95/661097395.db2.gz KCQNZCHTEJKTFT-RDJZCZTQSA-N 1 0 398.272 2.993 20 0 GFADRO Cc1cc(Br)c(F)cc1NC(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000274549830 655192655 /nfs/dbraw/zinc/19/26/55/655192655.db2.gz UQMNPUIYWIJDBQ-ZFWWWQNUSA-N 1 0 398.276 2.578 20 0 GFADRO C[NH+](C)CCOc1ccccc1CNC(=O)c1ccc(Br)nc1 ZINC000174146381 655193161 /nfs/dbraw/zinc/19/31/61/655193161.db2.gz YRFHBEMRXDSBAZ-UHFFFAOYSA-N 1 0 378.270 2.715 20 0 GFADRO C[C@@H]([NH2+]CC1CCN(S(C)(=O)=O)CC1)c1ccc(OC(F)(F)F)cc1 ZINC000112539484 655193339 /nfs/dbraw/zinc/19/33/39/655193339.db2.gz DOSKRJBFHNYLEQ-GFCCVEGCSA-N 1 0 380.432 2.907 20 0 GFADRO CCC[NH+]1CCN(c2ccc(NC(=O)[C@@H]3CSC(=O)N3)cc2Cl)CC1 ZINC000174246175 655195229 /nfs/dbraw/zinc/19/52/29/655195229.db2.gz PCHSJRZHBSOECV-AWEZNQCLSA-N 1 0 382.917 2.636 20 0 GFADRO COC[C@@H]1CCC[N@H+](CC(=O)Nc2cccc(I)c2)C1 ZINC000112986717 655200849 /nfs/dbraw/zinc/20/08/49/655200849.db2.gz PAUGHZGPBLDZAB-GFCCVEGCSA-N 1 0 388.249 2.588 20 0 GFADRO COC[C@@H]1CCC[N@H+](CC(=O)N(C)Cc2cc(Br)cs2)C1 ZINC000112989339 655201020 /nfs/dbraw/zinc/20/10/20/655201020.db2.gz CBQRVNJXFRJTMM-GFCCVEGCSA-N 1 0 375.332 2.827 20 0 GFADRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)NCc1cccc(Br)c1 ZINC000174427231 655202553 /nfs/dbraw/zinc/20/25/53/655202553.db2.gz HXLNQQAFOIYNEK-MRXNPFEDSA-N 1 0 384.318 2.701 20 0 GFADRO COC(=O)[C@@H]1CC12CC[NH+](C[C@H](O)c1ccc(F)c(Br)c1)CC2 ZINC000274806294 655202685 /nfs/dbraw/zinc/20/26/85/655202685.db2.gz STQKIIIFJOSAOR-WFASDCNBSA-N 1 0 386.261 2.897 20 0 GFADRO O=C(Nc1ccc(F)c(Br)c1)C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000174719226 655206599 /nfs/dbraw/zinc/20/65/99/655206599.db2.gz IYXWPVVRARHNFD-UHFFFAOYSA-N 1 0 398.276 2.614 20 0 GFADRO Cc1nc(NC(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)ccc1Br ZINC000274952946 655208727 /nfs/dbraw/zinc/20/87/27/655208727.db2.gz HGJCGBRTCVUSBV-HUUCEWRRSA-N 1 0 397.317 2.652 20 0 GFADRO CCS[C@H]1CC[C@@H]([N@H+](C)CC(=O)Nc2sc3c(c2C(N)=O)CCC3)C1 ZINC000839497306 661087766 /nfs/dbraw/zinc/08/77/66/661087766.db2.gz BOPNUPMYCAOSDU-NEPJUHHUSA-N 1 0 381.567 2.880 20 0 GFADRO C[NH+](C)CC1CCN(C(=O)c2csc(I)c2)CC1 ZINC000113428067 655210359 /nfs/dbraw/zinc/21/03/59/655210359.db2.gz JIGVMUIVRGGTLM-UHFFFAOYSA-N 1 0 378.279 2.767 20 0 GFADRO C[NH+](C)C[C@H]1CCN(C[C@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000113512103 655211733 /nfs/dbraw/zinc/21/17/33/655211733.db2.gz QSQNEQOSYWHZCH-OCCSQVGLSA-N 1 0 391.737 2.726 20 0 GFADRO C[NH+](C)C1(CNS(=O)(=O)Cc2c(Cl)cccc2Cl)CCOCC1 ZINC000114211110 655218494 /nfs/dbraw/zinc/21/84/94/655218494.db2.gz PUINKZGUMPIGMZ-UHFFFAOYSA-N 1 0 381.325 2.524 20 0 GFADRO C[C@@H](CNC(=O)c1cc(-c2ccc(Cl)s2)on1)C[NH+]1CCN(C)CC1 ZINC000114379205 655223079 /nfs/dbraw/zinc/22/30/79/655223079.db2.gz JCEBYXQSTCAAOP-LBPRGKRZSA-N 1 0 382.917 2.670 20 0 GFADRO O=C(NCCCC[NH+]1CCN(CCO)CC1)Nc1ccc(Cl)cc1Cl ZINC000114602871 655226109 /nfs/dbraw/zinc/22/61/09/655226109.db2.gz RGDGWOZSAWCZFI-UHFFFAOYSA-N 1 0 389.327 2.505 20 0 GFADRO C[C@@H](CNC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1)Oc1ccccc1Br ZINC000175977684 655230752 /nfs/dbraw/zinc/23/07/52/655230752.db2.gz PBVKITHDEZHIFJ-LSDHHAIUSA-N 1 0 394.313 2.872 20 0 GFADRO Cn1cc(Br)cc(NC(=O)c2cccc(C[NH+]3CCCC3)c2)c1=O ZINC000176429191 655245476 /nfs/dbraw/zinc/24/54/76/655245476.db2.gz RGIRQNLIZQULII-UHFFFAOYSA-N 1 0 390.281 2.996 20 0 GFADRO CN(C)C(=O)CC[NH+]1CCC(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000116474825 655248457 /nfs/dbraw/zinc/24/84/57/655248457.db2.gz ZFKKYBXHPFWLLL-UHFFFAOYSA-N 1 0 382.302 2.578 20 0 GFADRO C[NH+](C)C(C)(C)CNC(=O)CCC[S@@](=O)c1ccc(Br)cc1 ZINC000116716370 655252571 /nfs/dbraw/zinc/25/25/71/655252571.db2.gz XZDNQFIOVMVBDG-QFIPXVFZSA-N 1 0 389.359 2.793 20 0 GFADRO O=C(NC[C@@H](O)c1cc(F)cc(Cl)c1)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000839748069 661104273 /nfs/dbraw/zinc/10/42/73/661104273.db2.gz WWBBXEMONXQZMV-DLBZAZTESA-N 1 0 386.920 2.846 20 0 GFADRO CC(C)[C@H](Oc1ccccc1Br)C(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000116789502 655253713 /nfs/dbraw/zinc/25/37/13/655253713.db2.gz IYBDMJLYOQWSGC-YOEHRIQHSA-N 1 0 399.329 2.642 20 0 GFADRO C[NH+](C)CCc1ccccc1NC(=O)c1cc(I)c[nH]1 ZINC000275857717 655253988 /nfs/dbraw/zinc/25/39/88/655253988.db2.gz LTVKGJMODSJREM-UHFFFAOYSA-N 1 0 383.233 2.976 20 0 GFADRO Cc1cc(S(=O)(=O)N2CC[C@H](C[NH+]3CCCC3)C2)sc1Br ZINC000176934594 655262642 /nfs/dbraw/zinc/26/26/42/655262642.db2.gz OBSSMQBPXUAVTI-GFCCVEGCSA-N 1 0 393.372 2.925 20 0 GFADRO COC(=O)[C@@]1(C)CC[N@H+](Cn2ccc(=O)c3cccc(Br)c32)C1 ZINC000177223930 655270858 /nfs/dbraw/zinc/27/08/58/655270858.db2.gz YOCVFLBFUXLCRP-KRWDZBQOSA-N 1 0 379.254 2.607 20 0 GFADRO Cc1cnc(Cl)c(NC(=O)C(=O)N(CC[NH+](C)C)Cc2cccs2)c1 ZINC000276320348 655271191 /nfs/dbraw/zinc/27/11/91/655271191.db2.gz HBFCYARWHSHMOC-UHFFFAOYSA-N 1 0 380.901 2.634 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)C(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000118112327 655271887 /nfs/dbraw/zinc/27/18/87/655271887.db2.gz PYCZKJOFAQRIHD-CQSZACIVSA-N 1 0 396.329 2.933 20 0 GFADRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)Nc1ccc(Br)c(C)c1 ZINC000118126360 655272106 /nfs/dbraw/zinc/27/21/06/655272106.db2.gz RBCGFQJECQXNGZ-CQSZACIVSA-N 1 0 382.302 2.687 20 0 GFADRO CCS(=O)(=O)CCCCC[NH2+][C@H](CO)c1ccc(Br)cc1 ZINC000276419064 655275144 /nfs/dbraw/zinc/27/51/44/655275144.db2.gz NNWRQWGIOZCSIN-OAHLLOKOSA-N 1 0 378.332 2.677 20 0 GFADRO COCC[NH+]1CCC(NC(=O)N2CCc3cccc(Br)c3C2)CC1 ZINC000118572480 655278416 /nfs/dbraw/zinc/27/84/16/655278416.db2.gz GAASCYAXEUXUDP-UHFFFAOYSA-N 1 0 396.329 2.628 20 0 GFADRO C[NH+](C)C[C@@H]1CCCN1C(=O)c1nc(Br)ccc1Br ZINC000276579065 655279913 /nfs/dbraw/zinc/27/99/13/655279913.db2.gz GKMHMTTXQRRWLA-VIFPVBQESA-N 1 0 391.107 2.773 20 0 GFADRO O=C(CCCOc1ccccc1Br)NCCC[NH+]1CCC(O)CC1 ZINC000118722806 655281201 /nfs/dbraw/zinc/28/12/01/655281201.db2.gz AROBIDYCILJRJJ-UHFFFAOYSA-N 1 0 399.329 2.571 20 0 GFADRO O=C(CNC(=O)C[NH+]1C[C@H]2CCCC[C@@H]2C1)Nc1ccccc1Br ZINC000177578112 655282352 /nfs/dbraw/zinc/28/23/52/655282352.db2.gz LIIULQCJUHUFNA-ZIAGYGMSSA-N 1 0 394.313 2.626 20 0 GFADRO C[C@@H](CC[S@@](C)=O)[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000276690213 655283910 /nfs/dbraw/zinc/28/39/10/655283910.db2.gz MRIHPUYNHWXOGL-WHEQGISXSA-N 1 0 389.359 2.532 20 0 GFADRO CC[NH+](CC)[C@@H]1CCN(C(=O)c2cc(=O)[nH]c3c(Br)cccc23)C1 ZINC000177649319 655285060 /nfs/dbraw/zinc/28/50/60/655285060.db2.gz IFCOOSVJLAGLMQ-GFCCVEGCSA-N 1 0 392.297 2.847 20 0 GFADRO O[C@H](COc1cc(Cl)ccc1Cl)C[N@@H+]1CCC[C@H](Cn2ccnn2)C1 ZINC000119047995 655288054 /nfs/dbraw/zinc/28/80/54/655288054.db2.gz TXBRUASNIWTBRP-ZFWWWQNUSA-N 1 0 385.295 2.737 20 0 GFADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(I)cc1 ZINC000177817274 655289374 /nfs/dbraw/zinc/28/93/74/655289374.db2.gz GZJYVTCRWIHFKO-CABCVRRESA-N 1 0 384.261 2.990 20 0 GFADRO CO[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1ccccc1I ZINC000276926890 655293384 /nfs/dbraw/zinc/29/33/84/655293384.db2.gz IBECBPPPHNAYAB-UONOGXRCSA-N 1 0 388.249 2.777 20 0 GFADRO C[NH+](C)[C@H]1CCCN(S(=O)(=O)c2cc(Br)ccc2F)CC1 ZINC000276930673 655293761 /nfs/dbraw/zinc/29/37/61/655293761.db2.gz AEPANMVUXNMMDJ-LBPRGKRZSA-N 1 0 379.295 2.693 20 0 GFADRO C[C@@H](Cc1ccccc1Br)NC(=O)NCCCC[NH+]1CCOCC1 ZINC000119244318 655294867 /nfs/dbraw/zinc/29/48/67/655294867.db2.gz XHIHBJFESYWEPP-HNNXBMFYSA-N 1 0 398.345 2.792 20 0 GFADRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)C(=O)Nc2ccc(Br)c(F)c2)C1 ZINC000178009090 655295083 /nfs/dbraw/zinc/29/50/83/655295083.db2.gz SCIATOLOTMVMGX-JQWIXIFHSA-N 1 0 386.265 2.516 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)Nc2ccc(Br)c(F)c2)C1 ZINC000178009076 655295147 /nfs/dbraw/zinc/29/51/47/655295147.db2.gz SCIATOLOTMVMGX-CMPLNLGQSA-N 1 0 386.265 2.516 20 0 GFADRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Cc2cccc(I)c2)C1 ZINC000119283196 655296807 /nfs/dbraw/zinc/29/68/07/655296807.db2.gz SAVWTHXBJIAHAZ-GDBMZVCRSA-N 1 0 398.288 2.776 20 0 GFADRO O=C(/C=C/c1ccccc1Br)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000178086934 655297118 /nfs/dbraw/zinc/29/71/18/655297118.db2.gz BDBOEKKFFVXKPV-LLYBFZRZSA-N 1 0 379.298 2.643 20 0 GFADRO CCO[C@H](CC[NH+](C)C)CNC(=O)C(=O)Nc1cc(Cl)c(C)cc1Cl ZINC000119307803 655297924 /nfs/dbraw/zinc/29/79/24/655297924.db2.gz INJQQKDRKUNSGL-GFCCVEGCSA-N 1 0 390.311 2.713 20 0 GFADRO CCOC(=O)N1CCC([NH2+]C[C@H](CO)Cc2cccc(Br)c2)CC1 ZINC000277043902 655299920 /nfs/dbraw/zinc/29/99/20/655299920.db2.gz PLNGMBIQJUBPSU-OAHLLOKOSA-N 1 0 399.329 2.811 20 0 GFADRO CC[C@@H]([NH2+]CCc1ccc(S(=O)(=O)N(CC)CC)s1)c1cnn(C)c1 ZINC000119356306 655300470 /nfs/dbraw/zinc/30/04/70/655300470.db2.gz IFAOJOUEVPIDKP-MRXNPFEDSA-N 1 0 384.571 2.796 20 0 GFADRO C[NH+](C)CCN(Cc1ccco1)S(=O)(=O)c1sccc1Br ZINC000119363164 655300710 /nfs/dbraw/zinc/30/07/10/655300710.db2.gz KWLRVKDPODERJH-UHFFFAOYSA-N 1 0 393.328 2.856 20 0 GFADRO C[C@H]([NH2+]CC1CCN(S(C)(=O)=O)CC1)c1ccccc1OC(F)(F)F ZINC000178261854 655300632 /nfs/dbraw/zinc/30/06/32/655300632.db2.gz GFGSUOUCXZRGGU-LBPRGKRZSA-N 1 0 380.432 2.907 20 0 GFADRO [NH3+]C[C@H]1CCN(C(=O)c2ccc(NC(=O)c3ccc(Br)o3)cc2)C1 ZINC000178528085 655304191 /nfs/dbraw/zinc/30/41/91/655304191.db2.gz TZOOWKLFXWQWLZ-LLVKDONJSA-N 1 0 392.253 2.715 20 0 GFADRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2n[nH]c3ccc(Br)cc32)C1 ZINC000178535533 655304413 /nfs/dbraw/zinc/30/44/13/655304413.db2.gz SZHLETBOMHWLGI-IAQYHMDHSA-N 1 0 377.286 2.882 20 0 GFADRO COC(=O)c1ccc(Cl)cc1S(=O)(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000178546143 655304632 /nfs/dbraw/zinc/30/46/32/655304632.db2.gz XHPKWFAFPVFPFH-OAHLLOKOSA-N 1 0 390.933 2.771 20 0 GFADRO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CCCN1CCOC1=O ZINC000178585052 655305151 /nfs/dbraw/zinc/30/51/51/655305151.db2.gz MPRIMAWHNPQPMK-GFCCVEGCSA-N 1 0 384.274 2.598 20 0 GFADRO CC[C@@H]1CCC[C@H]1[NH2+][C@@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000119577549 655307661 /nfs/dbraw/zinc/30/76/61/655307661.db2.gz GSEUACJWWZZLOO-JJRVBVJISA-N 1 0 388.555 2.642 20 0 GFADRO C[C@@H](Oc1ccc(Cl)cc1Cl)[C@H](C)[NH2+]CCC(=O)N1CCN(C)CC1 ZINC000178671407 655307829 /nfs/dbraw/zinc/30/78/29/655307829.db2.gz BCZJCOYREYHBAJ-UONOGXRCSA-N 1 0 388.339 2.903 20 0 GFADRO O=C(c1ccncc1I)N1CCC[C@@H]([NH+]2CCCCC2)C1 ZINC000119842818 655318068 /nfs/dbraw/zinc/31/80/68/655318068.db2.gz HTEMYUKLWDDZRW-CYBMUJFWSA-N 1 0 399.276 2.777 20 0 GFADRO COC1CC[NH+](CCNC(=O)c2ccc(Br)c(Cl)c2)CC1 ZINC000120058882 655326145 /nfs/dbraw/zinc/32/61/45/655326145.db2.gz CUQKTMNPBABJDD-UHFFFAOYSA-N 1 0 375.694 2.943 20 0 GFADRO CC1CC[NH+](C[C@@H]2CCCN(C(=O)c3cc(S(C)(=O)=O)cs3)C2)CC1 ZINC000120214354 655331400 /nfs/dbraw/zinc/33/14/00/655331400.db2.gz WZBYEMXCITVLOV-HNNXBMFYSA-N 1 0 384.567 2.736 20 0 GFADRO COc1cc([C@@H](C)[NH2+][C@H]2CC[C@@H](CO)CC2)ccc1S(=O)(=O)C(F)F ZINC000120219103 655331582 /nfs/dbraw/zinc/33/15/82/655331582.db2.gz NQNDMKGHQYSZSR-YRGRVCCFSA-N 1 0 377.453 2.893 20 0 GFADRO C[C@@H]1C[C@@H](N(C)S(=O)(=O)c2cccc(Br)c2F)CC[N@@H+]1C ZINC000281783139 655337091 /nfs/dbraw/zinc/33/70/91/655337091.db2.gz GSSRRSNDJBWWNV-MNOVXSKESA-N 1 0 379.295 2.691 20 0 GFADRO CCO[C@@H]1C[C@H]([NH2+]CC2CCN(S(=O)(=O)C(F)F)CC2)C1(CC)CC ZINC000181953225 655341634 /nfs/dbraw/zinc/34/16/34/655341634.db2.gz HRUWNJWLLAHSHW-LSDHHAIUSA-N 1 0 382.517 2.824 20 0 GFADRO CC(C)N(C)S(=O)(=O)c1ccc(C[NH2+]Cc2cnc([C@H](C)O)s2)cc1 ZINC000289302130 655345938 /nfs/dbraw/zinc/34/59/38/655345938.db2.gz RAFPCMYNZMOBMB-ZDUSSCGKSA-N 1 0 383.539 2.515 20 0 GFADRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)NCc1ccc(O)c(Br)c1 ZINC000289301270 655346002 /nfs/dbraw/zinc/34/60/02/655346002.db2.gz VPKYLTMGUSRMEU-WFASDCNBSA-N 1 0 382.302 2.923 20 0 GFADRO C[NH+](C)[C@H]1CCCN(CN2CC[C@H](c3cccc(Br)c3)C2=O)C1 ZINC000840004170 661123479 /nfs/dbraw/zinc/12/34/79/661123479.db2.gz QGCAGZSKQAFTOD-DLBZAZTESA-N 1 0 380.330 2.749 20 0 GFADRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)/C=C/c1ccc(I)o1 ZINC000121039151 655347509 /nfs/dbraw/zinc/34/75/09/655347509.db2.gz XSRBVBFHKHESJB-HASJVIIQSA-N 1 0 388.249 2.696 20 0 GFADRO Cn1cc(Br)cc1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000121742487 655350919 /nfs/dbraw/zinc/35/09/19/655350919.db2.gz PUBPKZWECJJPAJ-UHFFFAOYSA-N 1 0 377.286 2.792 20 0 GFADRO COc1ccc(NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)c(I)c1 ZINC000292853609 655355403 /nfs/dbraw/zinc/35/54/03/655355403.db2.gz KODXQWYTGFBYOE-QWRGUYRKSA-N 1 0 388.249 2.969 20 0 GFADRO C[C@@H]1C[NH+](CCCNC(=O)Cc2cscc2Br)C[C@@H](C)O1 ZINC000292893367 655356253 /nfs/dbraw/zinc/35/62/53/655356253.db2.gz ZTWKSNZWUNGMAV-VXGBXAGGSA-N 1 0 375.332 2.669 20 0 GFADRO CC(=O)Nc1ccc(S(=O)(=O)NCCCCC[NH+]2CCCC2)cc1Cl ZINC000293766350 655361602 /nfs/dbraw/zinc/36/16/02/655361602.db2.gz KKVKLMXZRWCOQV-UHFFFAOYSA-N 1 0 387.933 2.843 20 0 GFADRO Cc1cc(CC(C)(C)C(=O)NC[C@H]2C[N@@H+](C)CCN2C)ccc1Br ZINC000293777784 655361910 /nfs/dbraw/zinc/36/19/10/655361910.db2.gz QADTYYNHXXWFNY-INIZCTEOSA-N 1 0 396.373 2.688 20 0 GFADRO C[C@H](C[NH2+][C@@H](C)c1cc(Br)cc(F)c1[O-])CN1CC[NH+](C)CC1 ZINC000185344157 655363850 /nfs/dbraw/zinc/36/38/50/655363850.db2.gz ZGHZPKQZTMWMFH-OLZOCXBDSA-N 1 0 388.325 2.828 20 0 GFADRO C[C@@H](C[NH2+][C@@H](C)c1cc(Br)cc(F)c1[O-])CN1CC[NH+](C)CC1 ZINC000185344139 655363861 /nfs/dbraw/zinc/36/38/61/655363861.db2.gz ZGHZPKQZTMWMFH-STQMWFEESA-N 1 0 388.325 2.828 20 0 GFADRO CCOC(=O)N1CC[C@@H]([NH2+]Cc2cc(OC)c(OC)cc2Br)C1 ZINC000185781225 655366321 /nfs/dbraw/zinc/36/63/21/655366321.db2.gz YYTOXUXFKLTQOG-GFCCVEGCSA-N 1 0 387.274 2.787 20 0 GFADRO C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H](C)c1cc(Br)cc(F)c1[O-] ZINC000186588464 655370202 /nfs/dbraw/zinc/37/02/02/655370202.db2.gz UCXOMMURFSDYEU-CHWSQXEVSA-N 1 0 388.325 2.970 20 0 GFADRO O=C1[C@@H](NC2CC[NH+](C3CC3)CC2)CCN1c1cccc(Br)c1 ZINC000298117691 655372347 /nfs/dbraw/zinc/37/23/47/655372347.db2.gz OVGDMXJBNZNXNV-KRWDZBQOSA-N 1 0 378.314 2.771 20 0 GFADRO CCN1C(=O)CN(C[N@@H+]2CC[C@@H](Cc3ccc(Br)cc3)C2)C1=O ZINC000840084869 661129933 /nfs/dbraw/zinc/12/99/33/661129933.db2.gz XNRKAOYDEROASO-AWEZNQCLSA-N 1 0 380.286 2.555 20 0 GFADRO Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)[NH2+]CC1CN(S(C)(=O)=O)C1 ZINC000187829234 655376660 /nfs/dbraw/zinc/37/66/60/655376660.db2.gz UKGYZGUIVPYNJA-CYBMUJFWSA-N 1 0 379.551 2.969 20 0 GFADRO C[C@H](C[C@H]1COCCN1C(=O)OC(C)(C)C)[NH2+]C[C@H]1CSCCS1 ZINC000310031946 655379091 /nfs/dbraw/zinc/37/90/91/655379091.db2.gz SGMVJCCCKCQANS-ILXRZTDVSA-N 1 0 376.588 2.839 20 0 GFADRO C[N@@H+]1CCC[C@@]2(CCN(CN3Cc4c(cccc4Br)C3=O)C2)C1 ZINC000840087493 661131054 /nfs/dbraw/zinc/13/10/54/661131054.db2.gz TWVFRBWQQYMOPO-GOSISDBHSA-N 1 0 378.314 2.780 20 0 GFADRO CC(C)C(C)(C)C[NH2+][C@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000188713152 655381588 /nfs/dbraw/zinc/38/15/88/655381588.db2.gz YDWYWEBBTVJCMF-CQSZACIVSA-N 1 0 390.571 2.745 20 0 GFADRO CCOC(=O)N1CCC(NC(=[NH2+])NCc2cccc(C)c2Br)CC1 ZINC000189061862 655384290 /nfs/dbraw/zinc/38/42/90/655384290.db2.gz JOXWAYPZBUFZCM-UHFFFAOYSA-N 1 0 397.317 2.783 20 0 GFADRO C[NH+](C)Cc1ccccc1CNC(=O)c1cc([N+](=O)[O-])ncc1Br ZINC000326248387 655384917 /nfs/dbraw/zinc/38/49/17/655384917.db2.gz NRSKCRXLELEUDZ-UHFFFAOYSA-N 1 0 393.241 2.744 20 0 GFADRO O=S(=O)(C(F)F)N1CCC(C[NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000189336053 655386062 /nfs/dbraw/zinc/38/60/62/655386062.db2.gz WEVOHXMJZRLNRG-NWDGAFQWSA-N 1 0 378.407 2.962 20 0 GFADRO O=C(c1cnn(-c2cccc(Br)c2)c1)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000333816116 655388121 /nfs/dbraw/zinc/38/81/21/655388121.db2.gz KDVRSRORRXPZOI-KRWDZBQOSA-N 1 0 375.270 2.603 20 0 GFADRO CN1C(=O)N(C[C@@H]2CC[N@@H+](C3CC3)C2)C(=O)[C@@H]1c1cccc(Br)c1 ZINC000349215642 655388544 /nfs/dbraw/zinc/38/85/44/655388544.db2.gz GLGZWJDFMCKPCI-WBMJQRKESA-N 1 0 392.297 2.869 20 0 GFADRO CC1CC[NH+]([C@@H](CN2C(=O)N[C@@]3(CCSC3)C2=O)c2cccs2)CC1 ZINC000349305584 655389049 /nfs/dbraw/zinc/38/90/49/655389049.db2.gz RUKLCICEACSGNC-KBXCAEBGSA-N 1 0 379.551 2.949 20 0 GFADRO C[C@H](CN1C(=O)[C@@H](c2cccc(Br)c2)N(C)C1=O)[N@H+](C)C1CC1 ZINC000349379388 655389782 /nfs/dbraw/zinc/38/97/82/655389782.db2.gz WXZACZYYYSAJHT-IAQYHMDHSA-N 1 0 380.286 2.867 20 0 GFADRO C[C@H](C(=O)Nc1ccc(Br)cc1)N1CC[NH+]([C@H]2CCSC2)CC1 ZINC000365894408 655395961 /nfs/dbraw/zinc/39/59/61/655395961.db2.gz SLMIQVHHXFJKRF-CJNGLKHVSA-N 1 0 398.370 2.899 20 0 GFADRO COCC[N@@H+]1CCC[C@H](NC(=O)c2cc(Cl)cc(Br)c2)C1 ZINC000398943880 655402523 /nfs/dbraw/zinc/40/25/23/655402523.db2.gz YSRDGPVCAHUITE-AWEZNQCLSA-N 1 0 375.694 2.943 20 0 GFADRO O=S(=O)(c1ccc(Cl)cc1Br)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000420478061 655407555 /nfs/dbraw/zinc/40/75/55/655407555.db2.gz VUUQEWNJXVOOIV-ZDUSSCGKSA-N 1 0 379.707 2.619 20 0 GFADRO O=c1oc2cc(Br)ccc2n1C[N@H+]1CCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000840117837 661135537 /nfs/dbraw/zinc/13/55/37/661135537.db2.gz CGRLXVAHDQPFOF-NFAWXSAZSA-N 1 0 381.270 2.940 20 0 GFADRO O[C@@H](COc1cc(F)cc(Br)c1)C[NH+]1CCC(c2cn[nH]c2)CC1 ZINC000438833122 655409337 /nfs/dbraw/zinc/40/93/37/655409337.db2.gz WIJABDUSKLQKAP-MRXNPFEDSA-N 1 0 398.276 2.931 20 0 GFADRO C[NH2+]C[C@H]1CCCN1S(=O)(=O)c1cc(Cl)c(Br)cc1F ZINC000193300940 655409305 /nfs/dbraw/zinc/40/93/05/655409305.db2.gz GAVFTAFOFSWACT-MRVPVSSYSA-N 1 0 385.686 2.614 20 0 GFADRO COc1ccc(C[C@H](CO)C[NH2+][C@@H]2CCCc3n[nH]cc32)cc1Br ZINC000453382416 655411682 /nfs/dbraw/zinc/41/16/82/655411682.db2.gz SCCLRBCLHXOHGK-XJKSGUPXSA-N 1 0 394.313 2.999 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1cc(Br)cnc1Cl ZINC000193880690 655412989 /nfs/dbraw/zinc/41/29/89/655412989.db2.gz DWUPVGAXPAXTQJ-SNVBAGLBSA-N 1 0 396.738 2.650 20 0 GFADRO CCOC(=O)N1CCC[N@H+](CCC(=O)Nc2ccc(Br)cc2)CC1 ZINC000194858090 655417935 /nfs/dbraw/zinc/41/79/35/655417935.db2.gz NPJSSDMQYDKAGZ-UHFFFAOYSA-N 1 0 398.301 2.942 20 0 GFADRO CS(=O)(=O)N[C@H]1CCCC[C@@H]1C[NH2+]Cc1cc(Br)cs1 ZINC000512898929 655418200 /nfs/dbraw/zinc/41/82/00/655418200.db2.gz LXPLANAZTFLQAO-MFKMUULPSA-N 1 0 381.361 2.708 20 0 GFADRO COCCN(CC[NH+](C)C)C(=O)[C@H](C)Sc1ccc(Br)cc1 ZINC000517836079 655418905 /nfs/dbraw/zinc/41/89/05/655418905.db2.gz ROVXOCYFNUMTSI-ZDUSSCGKSA-N 1 0 389.359 2.966 20 0 GFADRO C[S@@](=O)C[C@@H]([NH2+]CCCS(=O)(=O)c1ccc(F)cc1)c1ccccc1 ZINC000541614157 655421639 /nfs/dbraw/zinc/42/16/39/655421639.db2.gz NSBOYWGJMHRTFY-HOYKHHGWSA-N 1 0 383.510 2.699 20 0 GFADRO CN1C(=O)CC[C@@H]([NH2+]Cc2cc(Br)c(Br)s2)C1=O ZINC000227839737 655422853 /nfs/dbraw/zinc/42/28/53/655422853.db2.gz WOPFURYYLFCLPC-MRVPVSSYSA-N 1 0 396.104 2.510 20 0 GFADRO C[C@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000560655648 655423591 /nfs/dbraw/zinc/42/35/91/655423591.db2.gz WYQIJXPCYUFPSP-DGCLKSJQSA-N 1 0 384.307 2.866 20 0 GFADRO CCN(CC)S(=O)(=O)c1cc(C(=O)NCC([NH3+])(CC)CC)ccc1Cl ZINC000236957886 655425261 /nfs/dbraw/zinc/42/52/61/655425261.db2.gz FZLCVJGNNOPNPI-UHFFFAOYSA-N 1 0 389.949 2.618 20 0 GFADRO COc1ncccc1C[NH2+]C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000574150380 655425567 /nfs/dbraw/zinc/42/55/67/655425567.db2.gz ASXKHZZOPOWZPE-AWEZNQCLSA-N 1 0 385.233 2.521 20 0 GFADRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2CN2C(=O)c3cc(Cl)c(Cl)cc3C2=O)C1 ZINC000246194005 655429376 /nfs/dbraw/zinc/42/93/76/655429376.db2.gz AAIXMJSLJMTCPW-ZBEGNZNMSA-N 1 0 382.291 2.963 20 0 GFADRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2CN2C(=O)c3cc(Cl)c(Cl)cc3C2=O)C1 ZINC000246193982 655429395 /nfs/dbraw/zinc/42/93/95/655429395.db2.gz AAIXMJSLJMTCPW-MEDUHNTESA-N 1 0 382.291 2.963 20 0 GFADRO C[C@@]1(O)CCC[N@H+](CN2CC[C@H](c3cccc(Br)c3)C2=O)CC1 ZINC000840059590 661128399 /nfs/dbraw/zinc/12/83/99/661128399.db2.gz ADAMLDNFDNIRHS-SJLPKXTDSA-N 1 0 381.314 2.959 20 0 GFADRO Cc1cc(NC(=O)C(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)cc(C)c1Br ZINC000575077917 655435109 /nfs/dbraw/zinc/43/51/09/655435109.db2.gz WEKSRKQAJHPTJG-SFHVURJKSA-N 1 0 394.313 2.559 20 0 GFADRO Cc1ccccc1[C@H]([NH3+])C(=O)N1CCC(n2cc(Br)cn2)CC1 ZINC000575865722 655438773 /nfs/dbraw/zinc/43/87/73/655438773.db2.gz PXPSPESCIGCZCO-INIZCTEOSA-N 1 0 377.286 2.818 20 0 GFADRO C[C@@]([NH3+])(C(=O)N[C@H]1COc2ccccc2C1)c1ccc(Br)cc1 ZINC000261801580 655442528 /nfs/dbraw/zinc/44/25/28/655442528.db2.gz RADZQKVOUWYPGM-QAPCUYQASA-N 1 0 375.266 2.743 20 0 GFADRO O=C(CSCc1ccc(Cl)cc1)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000261902295 655442858 /nfs/dbraw/zinc/44/28/58/655442858.db2.gz RSKHJYKCFHNDGT-AWEZNQCLSA-N 1 0 395.878 2.526 20 0 GFADRO CNC(=O)c1cccc(NC(=O)N[C@@H](C)C[N@H+](C)C(C)C)c1Br ZINC000576149752 655444418 /nfs/dbraw/zinc/44/44/18/655444418.db2.gz MYLBXLQYYLDUJM-NSHDSACASA-N 1 0 385.306 2.659 20 0 GFADRO Cc1c(Br)ccnc1NC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000576373228 655446203 /nfs/dbraw/zinc/44/62/03/655446203.db2.gz QHSZSQKOFMSOQC-ZDUSSCGKSA-N 1 0 397.317 2.775 20 0 GFADRO Cc1cc(Br)cc2c1CN(C(=O)c1csc(CC[NH3+])n1)CC2 ZINC000576400718 655446751 /nfs/dbraw/zinc/44/67/51/655446751.db2.gz RZYYQSROQNLTLR-UHFFFAOYSA-N 1 0 380.311 2.914 20 0 GFADRO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N[C@H](c1cccs1)c1ccc(Cl)cc1 ZINC000576703800 655451164 /nfs/dbraw/zinc/45/11/64/655451164.db2.gz RLLJYSBOZCSKIF-OZVIIMIRSA-N 1 0 379.913 2.849 20 0 GFADRO [NH3+]C1(CNC(=O)c2ncc(Br)cc2Br)CCCCC1 ZINC000576872703 655453606 /nfs/dbraw/zinc/45/36/06/655453606.db2.gz VSMOKRWJFTYWDC-UHFFFAOYSA-N 1 0 391.107 2.998 20 0 GFADRO CC(C)[C@H](C)[N@H+](C)CCC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1Cl ZINC000263932401 655454205 /nfs/dbraw/zinc/45/42/05/655454205.db2.gz ATDNNYYUMYYJNT-ZDUSSCGKSA-N 1 0 389.949 2.895 20 0 GFADRO C[C@@H](C[NH+]1CCCCC1)NS(=O)(=O)c1c(F)cccc1OC(F)(F)F ZINC000576968603 655455590 /nfs/dbraw/zinc/45/55/90/655455590.db2.gz AWNWZPVQZQSRML-NSHDSACASA-N 1 0 384.395 2.877 20 0 GFADRO CCOC(=O)CSc1nnc(NC(=O)CC[C@@H]([NH3+])c2ccccc2)s1 ZINC000577054879 655456547 /nfs/dbraw/zinc/45/65/47/655456547.db2.gz RBHVIKJKLAOWFX-GFCCVEGCSA-N 1 0 380.495 2.612 20 0 GFADRO COCC(COC)[NH+]1CCN(Cn2c3ccc(Cl)cc3oc2=S)CC1 ZINC000840171448 661143421 /nfs/dbraw/zinc/14/34/21/661143421.db2.gz KKEJSIOCHZVQGE-UHFFFAOYSA-N 1 0 385.917 2.854 20 0 GFADRO C[NH+](C)[C@H]1CCCN(C(=O)Cc2csc(NC(=O)c3cccs3)n2)C1 ZINC000264117155 655457517 /nfs/dbraw/zinc/45/75/17/655457517.db2.gz HHDCBFUQXIXTFN-ZDUSSCGKSA-N 1 0 378.523 2.552 20 0 GFADRO CN(CC1([NH+](C)C)CCC1)S(=O)(=O)Cc1ccccc1Br ZINC000577374657 655458075 /nfs/dbraw/zinc/45/80/75/655458075.db2.gz QUPPFHJCYRPCKQ-UHFFFAOYSA-N 1 0 375.332 2.695 20 0 GFADRO COc1ccc(CN2CCC[C@@H](c3ccnc(N)n3)C2)c(Br)c1O ZINC000577423788 655459311 /nfs/dbraw/zinc/45/93/11/655459311.db2.gz QZHRZNYHKGAOFM-LLVKDONJSA-N 1 0 393.285 2.915 20 0 GFADRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1ccccc1-n1cc(Br)cn1 ZINC000577458379 655459946 /nfs/dbraw/zinc/45/99/46/655459946.db2.gz ICHCWQMVLJLWTK-LRDDRELGSA-N 1 0 389.297 2.847 20 0 GFADRO C[NH+](C)[C@@H](CNc1ccc(S(N)(=O)=O)cc1C(F)(F)F)c1ccco1 ZINC000264357870 655461683 /nfs/dbraw/zinc/46/16/83/655461683.db2.gz RJVYCXVEXCAFNG-ZDUSSCGKSA-N 1 0 377.388 2.661 20 0 GFADRO Cc1cc(NC(=O)C(=O)N[C@H](C)C[N@@H+](C)C(C)C)cc(C)c1Br ZINC000577549432 655461741 /nfs/dbraw/zinc/46/17/41/655461741.db2.gz JWEIPLCLKBYFPE-CYBMUJFWSA-N 1 0 384.318 2.849 20 0 GFADRO COC(=O)CSCCC(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000264445556 655463929 /nfs/dbraw/zinc/46/39/29/655463929.db2.gz CHZVGSGBBFIKBI-UHFFFAOYSA-N 1 0 382.551 2.513 20 0 GFADRO O=C(C[C@@H]1Sc2ccc(Cl)cc2NC1=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000264593447 655466792 /nfs/dbraw/zinc/46/67/92/655466792.db2.gz AVGLCMMXOAHZFT-ZBEGNZNMSA-N 1 0 379.913 2.743 20 0 GFADRO Cn1nc(Br)c2c1ncnc2N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000264595807 655466803 /nfs/dbraw/zinc/46/68/03/655466803.db2.gz MKCUGXZVNRDHHT-LBPRGKRZSA-N 1 0 379.306 2.581 20 0 GFADRO C[C@H](NC(=O)NC[C@H]1C[N@H+](C)CCN1C)c1cc(F)c(Cl)cc1Cl ZINC000264754294 655469795 /nfs/dbraw/zinc/46/97/95/655469795.db2.gz RWNWHIVQIAEBJQ-QWRGUYRKSA-N 1 0 377.291 2.739 20 0 GFADRO Cc1nn(-c2cccc(Cl)c2)c(Cl)c1CNC[C@@H]1C[N@@H+](C)CCN1C ZINC000264765819 655469828 /nfs/dbraw/zinc/46/98/28/655469828.db2.gz PVHITGPBPXBJSY-MRXNPFEDSA-N 1 0 382.339 2.823 20 0 GFADRO C[C@@H]1CC[C@H]([NH2+]CC(=O)Nc2cccc(Br)c2)[C@H](n2cncn2)C1 ZINC000577965115 655470461 /nfs/dbraw/zinc/47/04/61/655470461.db2.gz PQPMTMDHDPXEEF-UHOFOFEASA-N 1 0 392.301 2.999 20 0 GFADRO NS(=O)(=O)c1cc(Cl)cc(C[NH2+][C@H](c2ccccc2)[C@H]2CCOC2)c1 ZINC000578135054 655473225 /nfs/dbraw/zinc/47/32/25/655473225.db2.gz PHMVNKZDIBFLEV-MAUKXSAKSA-N 1 0 380.897 2.855 20 0 GFADRO CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)CNC(=O)c1cccc(Br)c1 ZINC000578386861 655477544 /nfs/dbraw/zinc/47/75/44/655477544.db2.gz WMBMCOJWGXXPRX-INIZCTEOSA-N 1 0 396.329 2.512 20 0 GFADRO O=C(CC[N@@H+]1CCC[C@@H](n2ccnn2)C1)Nc1ccc(Br)cc1 ZINC000578500898 655480564 /nfs/dbraw/zinc/48/05/64/655480564.db2.gz LIOOHTPOQWFDPG-OAHLLOKOSA-N 1 0 378.274 2.706 20 0 GFADRO O=C(NCc1ccc(O)c(Br)c1)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000578954935 655489927 /nfs/dbraw/zinc/48/99/27/655489927.db2.gz MUPQDQUXEHGVPI-CQSZACIVSA-N 1 0 382.302 2.971 20 0 GFADRO CC[NH+](CC)[C@H]1CCN(S(=O)(=O)Cc2ccccc2Br)C1 ZINC000578984266 655490921 /nfs/dbraw/zinc/49/09/21/655490921.db2.gz IGBUGCCUWUCCFI-AWEZNQCLSA-N 1 0 375.332 2.695 20 0 GFADRO C[C@H]1CCC[C@](CNC(=O)c2cc(S(C)(=O)=O)ccc2Cl)([NH+](C)C)C1 ZINC000265957560 655494017 /nfs/dbraw/zinc/49/40/17/655494017.db2.gz XKCOAXHRVJTYKB-UGSOOPFHSA-N 1 0 386.945 2.984 20 0 GFADRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)c1cc(I)c[nH]1 ZINC000266067224 655496211 /nfs/dbraw/zinc/49/62/11/655496211.db2.gz BPBUEBQUWGSYFN-GFCCVEGCSA-N 1 0 375.254 2.566 20 0 GFADRO COCC1(C[NH2+]C[C@@H](O)COc2cc(F)cc(Br)c2)CCC1 ZINC000579583985 655501734 /nfs/dbraw/zinc/50/17/34/655501734.db2.gz VAPCIGZZZBUWCA-CQSZACIVSA-N 1 0 376.266 2.734 20 0 GFADRO [NH3+][C@H]1CCCO[C@@H]1C1CCN(C(=O)COc2cccc(Br)c2)CC1 ZINC000579700674 655502525 /nfs/dbraw/zinc/50/25/25/655502525.db2.gz XOBRXMMYSAYRJU-FUHWJXTLSA-N 1 0 397.313 2.573 20 0 GFADRO Cc1cc(S(=O)(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)sc1Br ZINC000580194281 655509883 /nfs/dbraw/zinc/50/98/83/655509883.db2.gz GJKXPHHJYTYXRW-GFCCVEGCSA-N 1 0 393.372 2.829 20 0 GFADRO CS[C@@H]1CN(c2nnc3ccc(Br)cn32)C[C@H]1[NH+]1CCCC1 ZINC000596197078 655514860 /nfs/dbraw/zinc/51/48/60/655514860.db2.gz QGRSBRJVGCFMPP-CHWSQXEVSA-N 1 0 382.331 2.508 20 0 GFADRO CC[C@H](C[NH+]1CCCC1)NC(=O)N(C)C[C@H](O)c1cccc(Br)c1 ZINC000840322635 661154431 /nfs/dbraw/zinc/15/44/31/661154431.db2.gz YICREIICSZMFHD-SJORKVTESA-N 1 0 398.345 2.998 20 0 GFADRO CC(C)(C)OC(=O)N1CC[C@](O)(C[NH2+]Cc2ccc(Br)o2)C1 ZINC000705066274 655522078 /nfs/dbraw/zinc/52/20/78/655522078.db2.gz RZMXJRYITJQBCM-HNNXBMFYSA-N 1 0 375.263 2.504 20 0 GFADRO C[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+]Cc1ccc(Br)c(Br)c1 ZINC000711666371 655522548 /nfs/dbraw/zinc/52/25/48/655522548.db2.gz IXABGPYTBDVQGF-PELKAZGASA-N 1 0 397.132 2.734 20 0 GFADRO Cn1cc(C[NH2+][C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2(C)C)c(Br)n1 ZINC000712427109 655522676 /nfs/dbraw/zinc/52/26/76/655522676.db2.gz UZNJEROSRTUJOK-NWDGAFQWSA-N 1 0 387.322 2.964 20 0 GFADRO C[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1cnn(C)c1Br ZINC000716184655 655523393 /nfs/dbraw/zinc/52/33/93/655523393.db2.gz QJGAQBFIGZFBML-CJNGLKHVSA-N 1 0 391.313 2.823 20 0 GFADRO C[C@@H](C[C@@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]CC(C)(C)CS(C)(=O)=O ZINC000723848076 655525529 /nfs/dbraw/zinc/52/55/29/655525529.db2.gz QLTJWURLVWVRPZ-GJZGRUSLSA-N 1 0 376.563 2.825 20 0 GFADRO CC(C)(C)OC(=O)NC[C@H]1CC[C@H]([NH2+]CCn2cc(Br)cn2)C1 ZINC000724084919 655525704 /nfs/dbraw/zinc/52/57/04/655525704.db2.gz UNPISLIBGTXCRA-JSGCOSHPSA-N 1 0 387.322 2.929 20 0 GFADRO Cc1ccc(/C=C/C(=O)NC[C@@H](C)N2CC[NH+](C)CC2)c(Br)c1 ZINC000726985463 655540503 /nfs/dbraw/zinc/54/05/03/655540503.db2.gz NAXWNSCVFBDTCJ-LQYUOIDQSA-N 1 0 380.330 2.523 20 0 GFADRO CC(C)NC(=O)CNC(=S)NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000727272193 655543787 /nfs/dbraw/zinc/54/37/87/655543787.db2.gz JNZGKZVFOKFAQQ-HNNXBMFYSA-N 1 0 382.599 2.510 20 0 GFADRO C[C@H]1C[C@H](C)C[NH+](CCCNS(=O)(=O)c2c(Cl)nc3sccn32)C1 ZINC000728582628 655557038 /nfs/dbraw/zinc/55/70/38/655557038.db2.gz VBFPYPHFOAOYPO-RYUDHWBXSA-N 1 0 390.962 2.696 20 0 GFADRO C[C@H](Cc1ccc(Br)cc1)NC(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000729497282 655565194 /nfs/dbraw/zinc/56/51/94/655565194.db2.gz QDBUYXRBSJNNQG-XOKHGSTOSA-N 1 0 396.329 2.543 20 0 GFADRO Brc1ccc2c(c1)C=C(CNC[C@H]1C[N@@H+]3CCC[C@H]3CO1)CO2 ZINC000729683077 655566719 /nfs/dbraw/zinc/56/67/19/655566719.db2.gz BBZSDSPWDLEKIA-IRXDYDNUSA-N 1 0 379.298 2.678 20 0 GFADRO C[NH+](C)CCCNC(=S)N[C@H]1CCCN(Cc2ccc(F)cc2Cl)C1 ZINC000731943688 655590053 /nfs/dbraw/zinc/59/00/53/655590053.db2.gz NBSNHOBLKQZAFC-INIZCTEOSA-N 1 0 386.968 2.859 20 0 GFADRO Cc1ccc(/C=C/C(=O)N(C)CCCN2CC[NH+](C)CC2)c(Br)c1 ZINC000732114735 655591903 /nfs/dbraw/zinc/59/19/03/655591903.db2.gz QCGDUISYMSVCSG-BQYQJAHWSA-N 1 0 394.357 2.867 20 0 GFADRO C[N@H+](CCC(=O)Nc1cccc(Cl)c1)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000732812509 655602609 /nfs/dbraw/zinc/60/26/09/655602609.db2.gz FBIMVNRLJXFLII-CYBMUJFWSA-N 1 0 377.794 2.764 20 0 GFADRO Cc1c(C(=O)N[C@H](C[NH+](C)C)C(C)C)nnn1-c1cccc(Br)c1 ZINC000733165388 655608512 /nfs/dbraw/zinc/60/85/12/655608512.db2.gz IOKFAEVFDZAHPQ-OAHLLOKOSA-N 1 0 394.317 2.654 20 0 GFADRO FC(F)(F)COCCC[NH+]1CCN(C(=S)NC(C2CC2)C2CC2)CC1 ZINC000734758051 655634401 /nfs/dbraw/zinc/63/44/01/655634401.db2.gz KDXGIAQENOJRJS-UHFFFAOYSA-N 1 0 379.492 2.636 20 0 GFADRO Cc1nn(CN2CCC(CC[NH+]3CCOCC3)CC2)c(C)c1Br ZINC000738112200 655685416 /nfs/dbraw/zinc/68/54/16/655685416.db2.gz UWNIMILYFWVQLQ-UHFFFAOYSA-N 1 0 385.350 2.654 20 0 GFADRO CCCC(O)(CCC)C[NH2+]Cc1c(C)nn([C@@H]2CCS(=O)(=O)C2)c1Cl ZINC000738438775 655691001 /nfs/dbraw/zinc/69/10/01/655691001.db2.gz CVJKVTONPRFHIK-CQSZACIVSA-N 1 0 391.965 2.625 20 0 GFADRO O=c1ccn(C[N@@H+]2CCCC[C@H]2C2OCCO2)c2c(Br)cccc12 ZINC000740758746 655698906 /nfs/dbraw/zinc/69/89/06/655698906.db2.gz KUESEMQKDMMHMU-HNNXBMFYSA-N 1 0 393.281 2.949 20 0 GFADRO S=c1n(Cc2cccs2)nnn1CN1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000742169218 655710968 /nfs/dbraw/zinc/71/09/68/655710968.db2.gz PMVJJANNZRVGDN-HNNXBMFYSA-N 1 0 378.571 2.684 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CNC(=S)NCCOc1ccc(Br)cc1 ZINC000743580888 655730152 /nfs/dbraw/zinc/73/01/52/655730152.db2.gz OMRUURLVRZRQDQ-CQSZACIVSA-N 1 0 386.359 2.776 20 0 GFADRO COC(=O)CC[N@H+](Cc1cn2cc(Br)ccc2n1)C1CCOCC1 ZINC000743871653 655732466 /nfs/dbraw/zinc/73/24/66/655732466.db2.gz PLQNFWVULZYEGN-UHFFFAOYSA-N 1 0 396.285 2.641 20 0 GFADRO Cc1csc([C@](O)(CC(=O)N[C@H](C)C[NH+]2CCCCC2)C(F)(F)F)n1 ZINC000746828241 655767559 /nfs/dbraw/zinc/76/75/59/655767559.db2.gz CWTMLIPYAGFNLN-IAQYHMDHSA-N 1 0 379.448 2.582 20 0 GFADRO O=c1oc2ccc(Br)cc2n1CN1CCC[C@@H]1C[NH+]1CCCC1 ZINC000749957550 655809679 /nfs/dbraw/zinc/80/96/79/655809679.db2.gz YKPYYSFZIYSVOO-CQSZACIVSA-N 1 0 380.286 2.875 20 0 GFADRO O=S(=O)(N[C@H]1CC[N@@H+]2CCCC[C@H]12)c1cc2ccc(Cl)nc2cc1F ZINC000750155435 655811908 /nfs/dbraw/zinc/81/19/08/655811908.db2.gz MGEUMJDBZAZWPD-DZGCQCFKSA-N 1 0 383.876 2.932 20 0 GFADRO C[C@H]([NH2+]CC(C)(C)[C@@H]1COCC12OCCO2)c1ncc(Br)s1 ZINC000840799739 661189630 /nfs/dbraw/zinc/18/96/30/661189630.db2.gz WFJVBNQMZVXMJK-QWRGUYRKSA-N 1 0 391.331 2.972 20 0 GFADRO C[NH+]1CCC(NC(=S)N2CCO[C@H](c3ccccc3Br)C2)CC1 ZINC000751018826 655820272 /nfs/dbraw/zinc/82/02/72/655820272.db2.gz BNNDJFVAGXGCIF-INIZCTEOSA-N 1 0 398.370 2.791 20 0 GFADRO O[C@H](C[NH2+]C[C@@H](O)c1ccccc1Br)COc1ccc(F)cc1 ZINC000751574284 655831112 /nfs/dbraw/zinc/83/11/12/655831112.db2.gz HZOBBIRJKBYLFX-CXAGYDPISA-N 1 0 384.245 2.651 20 0 GFADRO O[C@H](C[NH2+]C[C@H](O)c1ccccc1Br)COc1ccc(F)cc1 ZINC000751574289 655831113 /nfs/dbraw/zinc/83/11/13/655831113.db2.gz HZOBBIRJKBYLFX-DYVFJYSZSA-N 1 0 384.245 2.651 20 0 GFADRO O[C@H](C[NH+]1CCC(c2nnc3n2CCC3)CC1)c1ccccc1Br ZINC000751579212 655831290 /nfs/dbraw/zinc/83/12/90/655831290.db2.gz ZVCLMDMNIXCRGN-MRXNPFEDSA-N 1 0 391.313 2.900 20 0 GFADRO C[C@@H]1CC[N@H+](CN2C(=O)N[C@](C)(c3ccc(Br)cc3)C2=O)[C@@H]1C ZINC000751942010 655836560 /nfs/dbraw/zinc/83/65/60/655836560.db2.gz OWIKYIAQUFIUMF-PSTGCABASA-N 1 0 380.286 2.904 20 0 GFADRO COCC[N@@H+]1CC[C@@H](NC(=O)N[C@@H]2CCOc3c(Cl)c(Cl)ccc32)C1 ZINC000753151195 655850923 /nfs/dbraw/zinc/85/09/23/655850923.db2.gz SHDIHQQHUVSLSA-BXUZGUMPSA-N 1 0 388.295 2.837 20 0 GFADRO OC[C@H](C[C@H](O)c1ccccc1)[NH2+]Cc1cnc2ccc(Br)cn12 ZINC000754079962 655863462 /nfs/dbraw/zinc/86/34/62/655863462.db2.gz MQWKCUJUNCGCQE-RDJZCZTQSA-N 1 0 390.281 2.671 20 0 GFADRO Clc1cccc(-n2cc(CNC[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)nn2)c1Cl ZINC000754828984 655874947 /nfs/dbraw/zinc/87/49/47/655874947.db2.gz JNIYORVDPMQXFH-ZIAGYGMSSA-N 1 0 382.295 2.527 20 0 GFADRO C[C@H]([NH2+]CCS(=O)(=O)C1CC1)c1ccc(F)c(I)c1 ZINC000840882347 661198109 /nfs/dbraw/zinc/19/81/09/661198109.db2.gz UBGLYPDWRMGJIP-VIFPVBQESA-N 1 0 397.253 2.658 20 0 GFADRO COC(=O)C[C@H]1CCCC[N@@H+]1Cn1nc(Br)c(=O)c2ccccc21 ZINC000755733195 655887869 /nfs/dbraw/zinc/88/78/69/655887869.db2.gz FJMZTQCLTNLQKJ-GFCCVEGCSA-N 1 0 394.269 2.534 20 0 GFADRO O=c1c(Br)nn(C[N@@H+]2CC[C@H](C3CCOCC3)C2)c2ccccc12 ZINC000755755702 655888494 /nfs/dbraw/zinc/88/84/94/655888494.db2.gz OGDHFBLTCBLATJ-AWEZNQCLSA-N 1 0 392.297 2.865 20 0 GFADRO CC[NH+]1CCC(NC(=O)[C@H]2CC(Br)=NN2c2ccc(C)cc2)CC1 ZINC000756082100 655894385 /nfs/dbraw/zinc/89/43/85/655894385.db2.gz VJSDZDWDLJLVSV-MRXNPFEDSA-N 1 0 393.329 2.883 20 0 GFADRO C[C@@H]1CCC[N@@H+]1CCNC(=O)c1cn(-c2ccc(Br)cc2)cn1 ZINC000756810342 655905562 /nfs/dbraw/zinc/90/55/62/655905562.db2.gz GHJGNIOCPZCAOU-CYBMUJFWSA-N 1 0 377.286 2.849 20 0 GFADRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)Nc1cccc(I)c1 ZINC000757798392 655916674 /nfs/dbraw/zinc/91/66/74/655916674.db2.gz WOBWPJKONJAHRL-IINYFYTJSA-N 1 0 385.249 2.895 20 0 GFADRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)Nc1ccccc1I ZINC000757790715 655916691 /nfs/dbraw/zinc/91/66/91/655916691.db2.gz RTIQONXXUULOAH-YGRLFVJLSA-N 1 0 385.249 2.895 20 0 GFADRO CC[NH+](CC)Cc1ccc(CNC(=O)c2cc(Br)nn2C)cc1 ZINC000757800655 655916891 /nfs/dbraw/zinc/91/68/91/655916891.db2.gz MZGAUEICHYIGIP-UHFFFAOYSA-N 1 0 379.302 2.954 20 0 GFADRO Cc1cc(S(=O)(=O)N[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)cnc1Cl ZINC000757940979 655919268 /nfs/dbraw/zinc/91/92/68/655919268.db2.gz YBQCWOHHAKOFDS-HOCLYGCPSA-N 1 0 379.913 2.985 20 0 GFADRO Cc1n[nH]c(C(=O)N[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)c1Br ZINC000758202805 655925993 /nfs/dbraw/zinc/92/59/93/655925993.db2.gz PNQYRQLOUFWUCF-RISCZKNCSA-N 1 0 377.286 2.873 20 0 GFADRO COc1ccc(OC)c([C@@H](O)C[N@H+](C)Cc2cc(Br)cn2C)c1 ZINC000758825376 655942003 /nfs/dbraw/zinc/94/20/03/655942003.db2.gz JGHSXCMVGGKOAI-INIZCTEOSA-N 1 0 383.286 2.970 20 0 GFADRO O=C(CCc1cc(Br)ccc1F)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000758897491 655943194 /nfs/dbraw/zinc/94/31/94/655943194.db2.gz BAOPRNNKCYOZRK-LSDHHAIUSA-N 1 0 385.277 2.500 20 0 GFADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1cc(Br)cc2cccnc21 ZINC000758898758 655943204 /nfs/dbraw/zinc/94/32/04/655943204.db2.gz LBZWKLMKRWYRQH-HUUCEWRRSA-N 1 0 390.281 2.590 20 0 GFADRO C[NH+](C)CC(C)(C)CNS(=O)(=O)/C=C\c1ccccc1Br ZINC000758971986 655944251 /nfs/dbraw/zinc/94/42/51/655944251.db2.gz YGDKFBCURGPTNZ-KTKRTIGZSA-N 1 0 375.332 2.927 20 0 GFADRO COCCS(=O)(=O)c1ccc(C[NH2+][C@@H]2CC[C@@H]3SCCS[C@@H]23)cc1 ZINC000760030404 655967780 /nfs/dbraw/zinc/96/77/80/655967780.db2.gz RGGXVGKTUPTVBD-IKGGRYGDSA-N 1 0 387.592 2.576 20 0 GFADRO Cc1cccc(CN(CC[NH+](C)C)C(=O)c2cnn(C)c2Br)c1 ZINC000760386650 655978281 /nfs/dbraw/zinc/97/82/81/655978281.db2.gz SXUQPXSMOHVABT-UHFFFAOYSA-N 1 0 379.302 2.695 20 0 GFADRO C[NH+]1CCC(CNC(=S)NCC(=O)Nc2cc(Cl)ccc2Cl)CC1 ZINC000760462382 655981546 /nfs/dbraw/zinc/98/15/46/655981546.db2.gz HVFBVZFBXDFSGR-UHFFFAOYSA-N 1 0 389.352 2.738 20 0 GFADRO O=S(=O)(C(F)F)N1CCC(C[NH2+]Cc2cnc(C3CCC3)s2)CC1 ZINC000760674904 655989241 /nfs/dbraw/zinc/98/92/41/655989241.db2.gz JMXINIYRPXIJSD-UHFFFAOYSA-N 1 0 379.498 2.765 20 0 GFADRO C[C@]1(c2cccc(Br)c2)NC(=O)N(C[C@@H]2CC[N@@H+](C3CC3)C2)C1=O ZINC000761088708 655998144 /nfs/dbraw/zinc/99/81/44/655998144.db2.gz VNYPYZODGSIRNU-KZULUSFZSA-N 1 0 392.297 2.700 20 0 GFADRO COc1ccc(Br)c(CN(C)C(=S)NC2CC[NH+](C)CC2)c1 ZINC000761484119 656016382 /nfs/dbraw/zinc/01/63/82/656016382.db2.gz NCRCNUNPYRERQM-UHFFFAOYSA-N 1 0 386.359 2.858 20 0 GFADRO C[NH+](C)CCOc1cc(-c2noc(-c3scnc3Br)n2)ccn1 ZINC000762310672 656038673 /nfs/dbraw/zinc/03/86/73/656038673.db2.gz YQFMCLBGQPBSSU-UHFFFAOYSA-N 1 0 396.270 2.958 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)N[C@@H]1CC[C@@H]2SCCS[C@@H]12)Cc1ccccc1 ZINC000762988193 656067666 /nfs/dbraw/zinc/06/76/66/656067666.db2.gz MHHBRVBSBPXZNS-MHORFTMASA-N 1 0 379.595 2.838 20 0 GFADRO C[C@@]1(c2ccc(Br)cc2)NC(=O)N(C[N@@H+]2CC[C@@H](C3CC3)C2)C1=O ZINC000763331793 656079444 /nfs/dbraw/zinc/07/94/44/656079444.db2.gz JAZXGGVKHNPXPE-ACJLOTCBSA-N 1 0 392.297 2.906 20 0 GFADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]C[C@@H](C)CC(F)(F)F ZINC000840964907 661221587 /nfs/dbraw/zinc/22/15/87/661221587.db2.gz XOTKYXDHLQQONH-GXSJLCMTSA-N 1 0 387.855 2.883 20 0 GFADRO Cn1nc(Br)cc1C[NH2+][C@H](c1ccccc1)C1(CO)CCOCC1 ZINC000840971769 661222327 /nfs/dbraw/zinc/22/23/27/661222327.db2.gz BUVSIXCPWBDZTR-QGZVFWFLSA-N 1 0 394.313 2.803 20 0 GFADRO C[N@H+](CC(=O)NC[C@@](O)(c1ccc(Cl)cc1)C(F)(F)F)[C@H]1CCSC1 ZINC000764071895 656100096 /nfs/dbraw/zinc/10/00/96/656100096.db2.gz VRBGVGDKQNVNKV-DZGCQCFKSA-N 1 0 396.862 2.643 20 0 GFADRO Cc1ccc(Br)c(C(=O)OCC(=O)NC2CC[NH+](C3CC3)CC2)c1 ZINC000764199335 656104808 /nfs/dbraw/zinc/10/48/08/656104808.db2.gz WREGTVCXNKVDIP-UHFFFAOYSA-N 1 0 395.297 2.657 20 0 GFADRO C[C@H]([NH2+]CC1CCCCC1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000764516890 656112576 /nfs/dbraw/zinc/11/25/76/656112576.db2.gz WVPBQRPRVSUCRO-AWEZNQCLSA-N 1 0 388.555 2.643 20 0 GFADRO O=C1C[C@H]2CC[C@@H](CN1)N2Cn1ccc(-c2ccc(Br)cc2)n1 ZINC000765063381 656128890 /nfs/dbraw/zinc/12/88/90/656128890.db2.gz YRKIYRKSBDDNQN-CABCVRRESA-N 1 0 375.270 2.623 20 0 GFADRO O=C([C@H](O)c1cc(Cl)cc(Cl)c1)N1CC[C@H](OCC[NH+]2CCCC2)C1 ZINC000765177000 656135481 /nfs/dbraw/zinc/13/54/81/656135481.db2.gz LIJQTTJEUHWSAT-DLBZAZTESA-N 1 0 387.307 2.740 20 0 GFADRO C[C@@H]1C[NH+](CCCNC(=O)N2Cc3ccc(Br)cc3C2)C[C@@H](C)O1 ZINC000765199158 656136444 /nfs/dbraw/zinc/13/64/44/656136444.db2.gz HKKRBOGSNGPONH-ZIAGYGMSSA-N 1 0 396.329 2.974 20 0 GFADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1Cc2ccc(Br)cc2C1 ZINC000765264814 656139048 /nfs/dbraw/zinc/13/90/48/656139048.db2.gz HUKWKIYQIBKHTM-MRXNPFEDSA-N 1 0 382.302 2.585 20 0 GFADRO CC[C@@H]([NH2+]CCS(=O)(=O)CC)c1ccc(I)cc1 ZINC000765677789 656147230 /nfs/dbraw/zinc/14/72/30/656147230.db2.gz IHVQVXHBQXIMKI-CYBMUJFWSA-N 1 0 381.279 2.767 20 0 GFADRO Cc1nn(Cc2ccc(Cl)cc2Cl)c(Cl)c1CN(CC[NH3+])CCO ZINC000841059779 661230162 /nfs/dbraw/zinc/23/01/62/661230162.db2.gz WWOAVHGGTFKKQX-UHFFFAOYSA-N 1 0 391.730 2.953 20 0 GFADRO C[C@H]([NH2+]C1CCN(CCS(C)(=O)=O)CC1)c1sccc1Br ZINC000765890601 656154360 /nfs/dbraw/zinc/15/43/60/656154360.db2.gz JSOPEPYIZMOFSY-NSHDSACASA-N 1 0 395.388 2.670 20 0 GFADRO CC[N@@H+]1C[C@@H](C)N(C(=O)CCN2C(=S)N=NC2c2cccs2)C[C@H]1C ZINC000766249746 656166496 /nfs/dbraw/zinc/16/64/96/656166496.db2.gz PJRHHOUSXWNXNA-CHWSQXEVSA-N 1 0 379.555 2.627 20 0 GFADRO CCC[C@@H]1CN(C(=O)N[C@@H]2CC[C@@H]3SCCS[C@@H]23)CC[N@@H+]1CCOC ZINC000766824250 656184933 /nfs/dbraw/zinc/18/49/33/656184933.db2.gz JFWSIZWOVKUIMB-NCOADZHNSA-N 1 0 387.615 2.508 20 0 GFADRO [NH3+]C[C@H]1CC[C@@H](NC(=O)Nc2cnc(Br)c(Br)c2)C1 ZINC000841143027 661237675 /nfs/dbraw/zinc/23/76/75/661237675.db2.gz WKUQXHRDJJMYLK-JGVFFNPUSA-N 1 0 392.095 2.856 20 0 GFADRO COc1cc(S(=O)(=O)NCC2([NH+](C)C)CCCCCC2)cnc1Cl ZINC000767709192 656216083 /nfs/dbraw/zinc/21/60/83/656216083.db2.gz YKDUFBGTJWKKBK-UHFFFAOYSA-N 1 0 375.922 2.677 20 0 GFADRO CSc1nc2ccc(NC(=O)C(=O)N3CCC([C@H](C)[NH3+])CC3)cc2s1 ZINC000841168564 661240874 /nfs/dbraw/zinc/24/08/74/661240874.db2.gz LXNONPOGEQKUIJ-JTQLQIEISA-N 1 0 378.523 2.543 20 0 GFADRO CN(C(=O)C(=O)Nc1ccc(Br)cc1Cl)C1CCC([NH3+])CC1 ZINC000841189165 661242922 /nfs/dbraw/zinc/24/29/22/661242922.db2.gz OZRRIDOAJCNFHP-UHFFFAOYSA-N 1 0 388.693 2.769 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N(C)C2CCC([NH3+])CC2)c(Br)c1 ZINC000841188445 661243044 /nfs/dbraw/zinc/24/30/44/661243044.db2.gz FQQMGWQBIAKNCM-UHFFFAOYSA-N 1 0 382.302 2.733 20 0 GFADRO CCCC[C@@H](C[NH3+])NC(=O)C(=O)Nc1cc2ccccc2nc1Br ZINC000841195048 661243474 /nfs/dbraw/zinc/24/34/74/661243474.db2.gz VDKGWVPYZZPFJL-LBPRGKRZSA-N 1 0 393.285 2.570 20 0 GFADRO C[C@H]1CN(C(=O)C(=O)Nc2ccc3cc(Br)ccc3c2)[C@@H](C)C[NH2+]1 ZINC000841207508 661244348 /nfs/dbraw/zinc/24/43/48/661244348.db2.gz QQSPVRVKTZOHAQ-RYUDHWBXSA-N 1 0 390.281 2.750 20 0 GFADRO CC1CC[NH+](CCCCNC(=O)c2nccn3c(Br)cnc23)CC1 ZINC000769702284 656286438 /nfs/dbraw/zinc/28/64/38/656286438.db2.gz VXSYLPJRWBOPQM-UHFFFAOYSA-N 1 0 394.317 2.734 20 0 GFADRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2nccn3c(Br)cnc23)C1 ZINC000769701813 656286466 /nfs/dbraw/zinc/28/64/66/656286466.db2.gz QGZZEUQFVKADLW-CHWSQXEVSA-N 1 0 394.317 2.590 20 0 GFADRO C[C@@H]1CCN(C(=O)C(=O)Nc2ccccc2SC(F)(F)F)C[C@@H]1C[NH3+] ZINC000841276240 661250853 /nfs/dbraw/zinc/25/08/53/661250853.db2.gz OSFSIWDPLRKUAU-MNOVXSKESA-N 1 0 375.416 2.680 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CN(C(=O)Nc2ccc(OCC(F)(F)F)c(Cl)c2)CCO1 ZINC000841231608 661246488 /nfs/dbraw/zinc/24/64/88/661246488.db2.gz PXIOIFAKUIOKJD-NOZJJQNGSA-N 1 0 381.782 2.861 20 0 GFADRO O=C(NC[C@H]1C[NH2+]CCCO1)Nc1ccc(OCC(F)(F)F)c(Cl)c1 ZINC000841232040 661246625 /nfs/dbraw/zinc/24/66/25/661246625.db2.gz WYKBORADWMRFMI-LLVKDONJSA-N 1 0 381.782 2.781 20 0 GFADRO O=C(Nc1cc(C(F)(F)F)cc(Br)n1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000841241492 661247773 /nfs/dbraw/zinc/24/77/73/661247773.db2.gz PMBAFXAKZCTMNX-APPZFPTMSA-N 1 0 379.180 2.689 20 0 GFADRO O=C(NCC1=CC[NH2+]CC1)Nc1cc(C(F)(F)F)cc(Br)n1 ZINC000841241173 661247778 /nfs/dbraw/zinc/24/77/78/661247778.db2.gz GDDFZQKIAOUZOA-UHFFFAOYSA-N 1 0 379.180 2.904 20 0 GFADRO C[NH+](C)Cc1ccc(NC(=O)c2nccn3c(Br)cnc23)cc1F ZINC000769948437 656302082 /nfs/dbraw/zinc/30/20/82/656302082.db2.gz RUZJDTWIPNPNDL-UHFFFAOYSA-N 1 0 392.232 2.945 20 0 GFADRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)C(=O)Nc2ccc3cc(Br)ccc3c2)C1 ZINC000841261795 661250078 /nfs/dbraw/zinc/25/00/78/661250078.db2.gz VYMMATWWDKIDSX-IAQYHMDHSA-N 1 0 390.281 2.784 20 0 GFADRO O=C(NCCC[C@H]1CCC[NH2+]1)C(=O)Nc1ccccc1SC(F)(F)F ZINC000841259606 661250139 /nfs/dbraw/zinc/25/01/39/661250139.db2.gz REZKLQFKXWRYHC-LLVKDONJSA-N 1 0 375.416 2.885 20 0 GFADRO COC(=O)C[C@]1([NH2+]CC2=Cc3cc(Br)ccc3OC2)CCCOC1 ZINC000770673824 656326312 /nfs/dbraw/zinc/32/63/12/656326312.db2.gz JDRAWXLFVIOCES-GOSISDBHSA-N 1 0 396.281 2.927 20 0 GFADRO COC(=O)C[C@@]1([NH2+]CC(=O)Nc2c(Cl)cccc2Cl)CCCOC1 ZINC000770701870 656327259 /nfs/dbraw/zinc/32/72/59/656327259.db2.gz UYCVRGZCZAPDHX-INIZCTEOSA-N 1 0 375.252 2.634 20 0 GFADRO CCOc1nn(CN2CCN(C3CC[NH+](C(C)C)CC3)CC2)c(=S)s1 ZINC000771174526 656342189 /nfs/dbraw/zinc/34/21/89/656342189.db2.gz KYHYUCDCRNEEAV-UHFFFAOYSA-N 1 0 385.603 2.521 20 0 GFADRO CN1CC[NH+](CCC(C)(C)NC(=O)/C=C\c2ccc(Br)o2)CC1 ZINC000771659670 656359388 /nfs/dbraw/zinc/35/93/88/656359388.db2.gz AZOREGKOUQGBDI-ALCCZGGFSA-N 1 0 384.318 2.588 20 0 GFADRO C[C@@H](CNS(=O)(=O)c1ccc2nc(Cl)cnc2c1)[N@@H+]1CCCC[C@H]1C ZINC000772919226 656393588 /nfs/dbraw/zinc/39/35/88/656393588.db2.gz KXWLQOTXVZLZMF-OLZOCXBDSA-N 1 0 382.917 2.824 20 0 GFADRO O=S(=O)(C(F)F)N1CCC(C[NH2+]C2CCC3(CCOCC3)CC2)CC1 ZINC000772975553 656395969 /nfs/dbraw/zinc/39/59/69/656395969.db2.gz ILLLPIKNJAVOOB-UHFFFAOYSA-N 1 0 380.501 2.580 20 0 GFADRO O=C(N[C@H]1CC[N@H+](CC2CC2)C1)c1cc(=O)c2cc(Br)ccc2o1 ZINC000841392609 661258888 /nfs/dbraw/zinc/25/88/88/661258888.db2.gz ZOMNIPAWRBHTFF-ZDUSSCGKSA-N 1 0 391.265 2.770 20 0 GFADRO C[C@@H]([NH2+]CCC1CCS(=O)(=O)CC1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000773145673 656401190 /nfs/dbraw/zinc/40/11/90/656401190.db2.gz LMTNLRMVUIEULC-GFCCVEGCSA-N 1 0 395.493 2.548 20 0 GFADRO CS[C@@H]1CN(S(=O)(=O)C2=Cc3ccccc3CC2)C[C@H]1[NH+]1CCCC1 ZINC000773304991 656409858 /nfs/dbraw/zinc/40/98/58/656409858.db2.gz FRIGHOHRMLMOPY-RTBURBONSA-N 1 0 378.563 2.815 20 0 GFADRO Brc1cc(C[NH2+]C[C@@H]2COC3(CCCC3)O2)cc2c1OCCO2 ZINC000773413348 656444640 /nfs/dbraw/zinc/44/46/40/656444640.db2.gz DZMLFOCWJSZBHM-CYBMUJFWSA-N 1 0 384.270 2.996 20 0 GFADRO C[C@H](CCS(C)(=O)=O)[NH2+]Cc1nc2ccc(Br)cc2s1 ZINC000775005462 656585244 /nfs/dbraw/zinc/58/52/44/656585244.db2.gz TZEDHWVLTZBBCO-SECBINFHSA-N 1 0 377.329 2.972 20 0 GFADRO CCOCCOC[C@H](O)C[NH2+]Cc1nc2ccc(Br)cc2s1 ZINC000775013238 656586567 /nfs/dbraw/zinc/58/65/67/656586567.db2.gz SQJVHMQVGSCDDX-GFCCVEGCSA-N 1 0 389.315 2.562 20 0 GFADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)Nc1cc(F)c(Br)c(F)c1 ZINC000775375540 656633082 /nfs/dbraw/zinc/63/30/82/656633082.db2.gz KJZFHZXUUVIGDU-MNOVXSKESA-N 1 0 390.228 2.712 20 0 GFADRO O=S1(=O)CC[C@H]([NH2+]CCOc2cccnc2)c2cc(Br)ccc21 ZINC000775508709 656645299 /nfs/dbraw/zinc/64/52/99/656645299.db2.gz WJQQQPVEXZZVKW-HNNXBMFYSA-N 1 0 397.294 2.731 20 0 GFADRO COCCS(=O)(=O)CCC[NH2+]C(C)(C)c1ccccc1Br ZINC000775538474 656648817 /nfs/dbraw/zinc/64/88/17/656648817.db2.gz HBUJTADQGOHACN-UHFFFAOYSA-N 1 0 378.332 2.725 20 0 GFADRO CS[C@H]1CN(C(=O)c2cc(F)cc3[nH]c(=S)[nH]c32)C[C@@H]1[NH+]1CCCC1 ZINC000776211223 656720861 /nfs/dbraw/zinc/72/08/61/656720861.db2.gz LMAPNWMVHMJVHC-KBPBESRZSA-N 1 0 380.514 2.643 20 0 GFADRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)Nc3ccc(Br)cc3F)CC2)C1 ZINC000778236988 656871216 /nfs/dbraw/zinc/87/12/16/656871216.db2.gz VFFVGRJDTMQZER-CQSZACIVSA-N 1 0 399.308 2.832 20 0 GFADRO CCS(=O)(=O)CC[NH2+][C@@H](c1ccc(Br)cc1)[C@H]1CCCO1 ZINC000779051552 656898090 /nfs/dbraw/zinc/89/80/90/656898090.db2.gz DQHRGMMQJSPWMQ-CABCVRRESA-N 1 0 376.316 2.694 20 0 GFADRO COc1ccc(S(=O)(=O)N2CCC([NH2+][C@H]3CC[C@H](SC)C3)CC2)cc1 ZINC000779074006 656898671 /nfs/dbraw/zinc/89/86/71/656898671.db2.gz WYJDPNXUXLHLAK-RDJZCZTQSA-N 1 0 384.567 2.722 20 0 GFADRO COc1ccc(S(=O)(=O)N2CCC([NH2+][C@@H]3CC[C@@H](SC)C3)CC2)cc1 ZINC000779074005 656898722 /nfs/dbraw/zinc/89/87/22/656898722.db2.gz WYJDPNXUXLHLAK-NVXWUHKLSA-N 1 0 384.567 2.722 20 0 GFADRO CCOC(=O)C(F)(F)[C@@H]1CCC[C@H]([NH2+]CCC2CCS(=O)(=O)CC2)C1 ZINC000779415227 656925493 /nfs/dbraw/zinc/92/54/93/656925493.db2.gz JXHPHWFIWFLHQX-CABCVRRESA-N 1 0 381.485 2.548 20 0 GFADRO Cc1cc(Br)cc(S(=O)(=O)NC[C@@H](C)[NH+]2CCCCC2)c1 ZINC000780717277 657025407 /nfs/dbraw/zinc/02/54/07/657025407.db2.gz UXGQOZUILCLEGM-CYBMUJFWSA-N 1 0 375.332 2.910 20 0 GFADRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)c2cnc3ncc(Br)cc3c2)C1 ZINC000780856179 657033333 /nfs/dbraw/zinc/03/33/33/657033333.db2.gz HGKTZOSPZXPDKU-GJZGRUSLSA-N 1 0 377.286 2.995 20 0 GFADRO COCCCOc1ccc(Cl)cc1S(=O)(=O)NCC[N@@H+]1CCC[C@H]1C ZINC000780867552 657033966 /nfs/dbraw/zinc/03/39/66/657033966.db2.gz NDAWDFYHMUBJDD-CQSZACIVSA-N 1 0 390.933 2.518 20 0 GFADRO CCO[C@@H]1C[C@@](CO)([NH2+]C[C@@H](O)COc2cc(Cl)ccc2Cl)C1(C)C ZINC000782016134 657096150 /nfs/dbraw/zinc/09/61/50/657096150.db2.gz ZPDXGERXIYLDNB-QBIMZIAESA-N 1 0 392.323 2.889 20 0 GFADRO COC(=O)c1cc(S(=O)(=O)NCC2([NH+](C)C)CCC2)c(Cl)cc1Cl ZINC000782483980 657148955 /nfs/dbraw/zinc/14/89/55/657148955.db2.gz SXQYNXKARDEOBM-UHFFFAOYSA-N 1 0 395.308 2.543 20 0 GFADRO CCOC(=O)c1nn(CN2CC[NH+](Cc3ccccc3)CC2)c(=S)s1 ZINC000782808053 657182332 /nfs/dbraw/zinc/18/23/32/657182332.db2.gz URMMCWQMEWSLBO-UHFFFAOYSA-N 1 0 378.523 2.626 20 0 GFADRO C[C@H]1CCC[N@@H+]1CCNC(=O)c1ncc(Br)cc1Br ZINC000783920266 657273938 /nfs/dbraw/zinc/27/39/38/657273938.db2.gz JBVGAPRRBWHHKY-VIFPVBQESA-N 1 0 391.107 2.821 20 0 GFADRO O[C@H](COc1cc(F)cc(Br)c1)C[NH+]1CCC(n2cccn2)CC1 ZINC000783962595 657277945 /nfs/dbraw/zinc/27/79/45/657277945.db2.gz WQULADMXNKDFQA-INIZCTEOSA-N 1 0 398.276 2.862 20 0 GFADRO Cc1ccc([C@@H](CN2CCOCC2)[NH2+]Cc2cc(Br)nn2C)cc1 ZINC000785414154 657362763 /nfs/dbraw/zinc/36/27/63/657362763.db2.gz TZNMGMYDYGHDSM-QGZVFWFLSA-N 1 0 393.329 2.654 20 0 GFADRO COc1ccc([C@@H](C[NH2+]Cc2cc(Br)nn2C)N(C)C)cc1OC ZINC000785413516 657363067 /nfs/dbraw/zinc/36/30/67/657363067.db2.gz NJKKUUJEFIMUBG-CQSZACIVSA-N 1 0 397.317 2.592 20 0 GFADRO Cn1nc(Br)cc1CNC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000785456078 657366149 /nfs/dbraw/zinc/36/61/49/657366149.db2.gz VYQBFULEXSKHQN-MRXNPFEDSA-N 1 0 377.330 2.837 20 0 GFADRO O=S(=O)(N1CCC(C[NH2+]Cc2scnc2C2CC2)CC1)C(F)(F)F ZINC000785471465 657366432 /nfs/dbraw/zinc/36/64/32/657366432.db2.gz WXSBQCDNQLRJPX-UHFFFAOYSA-N 1 0 383.461 2.672 20 0 GFADRO COC(=O)c1ccc(CNC(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)c(Br)c1 ZINC000785581755 657376918 /nfs/dbraw/zinc/37/69/18/657376918.db2.gz UYJUFVCGVTWNFM-BXUZGUMPSA-N 1 0 398.301 2.518 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)OCCC(Cl)(Cl)Cl)CC1=O ZINC000785654873 657380337 /nfs/dbraw/zinc/38/03/37/657380337.db2.gz UAMFHZYBLFSKSH-VXGBXAGGSA-N 1 0 385.719 2.623 20 0 GFADRO COC(=O)c1ccc(CNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)c(Br)c1 ZINC000785849710 657389733 /nfs/dbraw/zinc/38/97/33/657389733.db2.gz OFTLRQXBCBQFBM-RYUDHWBXSA-N 1 0 383.286 2.725 20 0 GFADRO Cc1ccc(Br)nc1C(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000786631968 657447405 /nfs/dbraw/zinc/44/74/05/657447405.db2.gz LEVNFLWCHNVCPW-UHFFFAOYSA-N 1 0 388.309 2.982 20 0 GFADRO CCOC(=O)C(F)(F)[C@@H]1CC[C@H]([NH2+]Cc2ccc(S(C)(=O)=O)s2)C1 ZINC000786959795 657496087 /nfs/dbraw/zinc/49/60/87/657496087.db2.gz HMAXWORBDHWOOM-MNOVXSKESA-N 1 0 381.466 2.608 20 0 GFADRO CCOC(=O)C(F)(F)[C@@H]1CC[C@@H]([NH2+]Cc2ccc(S(C)(=O)=O)s2)C1 ZINC000786959793 657496243 /nfs/dbraw/zinc/49/62/43/657496243.db2.gz HMAXWORBDHWOOM-GHMZBOCLSA-N 1 0 381.466 2.608 20 0 GFADRO CCOC(=O)C(F)(F)[C@H]1CC[C@H]([NH2+]Cc2ccc(S(C)(=O)=O)s2)C1 ZINC000786959797 657496399 /nfs/dbraw/zinc/49/63/99/657496399.db2.gz HMAXWORBDHWOOM-QWRGUYRKSA-N 1 0 381.466 2.608 20 0 GFADRO CS[C@@H]1CN(C(=O)c2nc(Br)ccc2C)C[C@H]1[NH+]1CCCC1 ZINC000787270409 657536008 /nfs/dbraw/zinc/53/60/08/657536008.db2.gz POEPORDYVPWBOH-CHWSQXEVSA-N 1 0 384.343 2.804 20 0 GFADRO C[NH+](C)CCn1ccc(NC(=O)Nc2cnc(Cl)c(Br)c2)n1 ZINC000787440999 657555665 /nfs/dbraw/zinc/55/56/65/657555665.db2.gz RBZSCQBNZGWHFC-UHFFFAOYSA-N 1 0 387.669 2.900 20 0 GFADRO CCN(CCC[NH+](CC)CC)C(=O)C(=O)Nc1cnc(Br)cc1C ZINC000788338166 657697343 /nfs/dbraw/zinc/69/73/43/657697343.db2.gz HIXCHEPQOFJGTL-UHFFFAOYSA-N 1 0 399.333 2.671 20 0 GFADRO CC[NH+](CC)[C@@H]1CCN(S(=O)(=O)c2sc(C(=O)OC)c(Cl)c2C)C1 ZINC000788639292 657758440 /nfs/dbraw/zinc/75/84/40/657758440.db2.gz VBOTURPYUPPFEC-LLVKDONJSA-N 1 0 394.946 2.601 20 0 GFADRO CCN(CCC[NH+]1CCCC1)S(=O)(=O)c1c(Cl)nc2sccn21 ZINC000788914133 657795642 /nfs/dbraw/zinc/79/56/42/657795642.db2.gz AEOFXUJGABZMJA-UHFFFAOYSA-N 1 0 376.935 2.546 20 0 GFADRO COC(=O)c1c2cnn(C[N@@H+]3CC[C@H](C)[C@H](OC)C3)c2ccc1Br ZINC000790441074 657977858 /nfs/dbraw/zinc/97/78/58/657977858.db2.gz BEEXZDLYZVCNNS-XHDPSFHLSA-N 1 0 396.285 2.900 20 0 GFADRO COC(=O)c1c2cnn(CN3CCC[C@@H]([NH+](C)C)C3)c2ccc1Br ZINC000790448014 657982626 /nfs/dbraw/zinc/98/26/26/657982626.db2.gz ZGFDCQFCTBGDOF-GFCCVEGCSA-N 1 0 395.301 2.569 20 0 GFADRO CCOC(=O)NC1CCC([NH2+][C@H](C(N)=O)c2cccc(Br)c2)CC1 ZINC000790549570 657997815 /nfs/dbraw/zinc/99/78/15/657997815.db2.gz RCJSJYYDCWDHFK-NRXISQOPSA-N 1 0 398.301 2.622 20 0 GFADRO C[C@H](CNC(=O)c1nc(Br)ccc1Br)[NH+]1CCCC1 ZINC000790592508 658000674 /nfs/dbraw/zinc/00/06/74/658000674.db2.gz ZUPRMSNLXVZFHP-SECBINFHSA-N 1 0 391.107 2.821 20 0 GFADRO Cc1cc(Br)cc(C(=O)OCCCN2CC[NH+](C(C)C)CC2)c1N ZINC000791900558 658202402 /nfs/dbraw/zinc/20/24/02/658202402.db2.gz CBSPYXOFCBRMDY-UHFFFAOYSA-N 1 0 398.345 2.913 20 0 GFADRO C[NH+](C)CCCOC(=O)[C@H](c1cc(Cl)cc(Cl)c1)N1CCOCC1 ZINC000792062716 658226769 /nfs/dbraw/zinc/22/67/69/658226769.db2.gz FMHDLAKNBPSLFR-INIZCTEOSA-N 1 0 375.296 2.862 20 0 GFADRO C[NH+](C)C[C@H](NC(=O)C(=O)Nc1cccc(Cl)n1)c1ccc(Cl)cc1 ZINC000793070254 658355672 /nfs/dbraw/zinc/35/56/72/658355672.db2.gz BGEDWJYBONLUTR-ZDUSSCGKSA-N 1 0 381.263 2.746 20 0 GFADRO COC1CC[NH+](CCNC(=O)Cc2sc(SC(F)F)nc2C)CC1 ZINC000793622875 658419658 /nfs/dbraw/zinc/41/96/58/658419658.db2.gz YFZNVHVGCFWOLW-UHFFFAOYSA-N 1 0 379.498 2.536 20 0 GFADRO Cc1ccc(NC(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)nc1Br ZINC000794353410 658521536 /nfs/dbraw/zinc/52/15/36/658521536.db2.gz ATFNFKZVAZCIBE-ZDUSSCGKSA-N 1 0 385.306 2.775 20 0 GFADRO O=C(Nc1cccc(C[N@H+]2CC[C@@H](O)C2)c1)c1ccnc(Br)c1 ZINC000794589866 658571687 /nfs/dbraw/zinc/57/16/87/658571687.db2.gz BSXKDCAVECBYML-OAHLLOKOSA-N 1 0 376.254 2.663 20 0 GFADRO S=c1scnn1CN1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000795699436 658842868 /nfs/dbraw/zinc/84/28/68/658842868.db2.gz KERYECUFQPQVPI-QGZVFWFLSA-N 1 0 375.567 2.524 20 0 GFADRO COC(=O)C[C@@]1(NCc2nc3cc(Br)ccc3o2)CCCOC1 ZINC000796015895 658880409 /nfs/dbraw/zinc/88/04/09/658880409.db2.gz SWKOMCXTZDGZEG-INIZCTEOSA-N 1 0 383.242 2.792 20 0 GFADRO CNC(=O)C[C@@H]([NH2+]C[C@H](O)c1ccccc1Br)c1ccccc1 ZINC000796609517 658927236 /nfs/dbraw/zinc/92/72/36/658927236.db2.gz ALLXBJIQFYDQMV-SJORKVTESA-N 1 0 377.282 2.950 20 0 GFADRO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1COCC[C@@H]1[NH2+]C[C@@H]1CSCCS1 ZINC000796791984 658939576 /nfs/dbraw/zinc/93/95/76/658939576.db2.gz FCNRYGVPAVOXDR-XGUBFFRZSA-N 1 0 376.588 2.743 20 0 GFADRO C[C@H]([NH2+]CC1(S(C)(=O)=O)CCCC1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000797101639 658979929 /nfs/dbraw/zinc/97/99/29/658979929.db2.gz MDYKXENSNDXCDG-LBPRGKRZSA-N 1 0 395.493 2.691 20 0 GFADRO CC[NH+]1CCN(CCCNC(=O)c2cc(C(F)(F)F)cc(Cl)n2)CC1 ZINC000798161503 659077517 /nfs/dbraw/zinc/07/75/17/659077517.db2.gz YXKLWINJAOZFLF-UHFFFAOYSA-N 1 0 378.826 2.511 20 0 GFADRO Cc1cc(CNC(=S)NCCC[NH+](C)C)ccc1I ZINC000798372011 659097896 /nfs/dbraw/zinc/09/78/96/659097896.db2.gz GRNJFYACGVNYGZ-UHFFFAOYSA-N 1 0 391.322 2.515 20 0 GFADRO C[NH+]1CCC2(CCCN(C(=O)c3c(Cl)cccc3S(C)(=O)=O)C2)CC1 ZINC000799031798 659161286 /nfs/dbraw/zinc/16/12/86/659161286.db2.gz QPSPEWISZACEJK-UHFFFAOYSA-N 1 0 384.929 2.692 20 0 GFADRO C[NH+](C)C1(CNC(=O)N2CCC=C(Br)C2)Cc2ccccc2C1 ZINC000799373490 659185064 /nfs/dbraw/zinc/18/50/64/659185064.db2.gz GCDGTNRZFFNQDQ-UHFFFAOYSA-N 1 0 378.314 2.780 20 0 GFADRO CC1CC[NH+](CCNC(=O)NC[C@H](O)c2cccc(Br)c2)CC1 ZINC000799882191 659238473 /nfs/dbraw/zinc/23/84/73/659238473.db2.gz HHIRRNMGVOPDSZ-INIZCTEOSA-N 1 0 384.318 2.514 20 0 GFADRO CN(CC(=O)OCCC[NH+]1CCCCC1)C(=O)c1ccc(Br)o1 ZINC000800143472 659276692 /nfs/dbraw/zinc/27/66/92/659276692.db2.gz FJDNNTGHGAAIPE-UHFFFAOYSA-N 1 0 387.274 2.533 20 0 GFADRO CC(C)(C)OC(=O)Nc1ncc(C[NH2+][C@H]2CCC[C@H](S(C)(=O)=O)C2)s1 ZINC000800241354 659295879 /nfs/dbraw/zinc/29/58/79/659295879.db2.gz NDKCZIBFJPJWQW-AAEUAGOBSA-N 1 0 389.543 2.936 20 0 GFADRO O=S(=O)(CC[NH2+]Cc1c[nH]nc1-c1ccsc1)CCc1ccccc1 ZINC000800310951 659300259 /nfs/dbraw/zinc/30/02/59/659300259.db2.gz ALOXTRBMNMXBQB-UHFFFAOYSA-N 1 0 375.519 2.885 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2cc3c(cc2Cl)CCC3=O)C[C@@H]1C ZINC000800917291 659348069 /nfs/dbraw/zinc/34/80/69/659348069.db2.gz SMLOHKYCMXGKSS-GXTWGEPZSA-N 1 0 384.929 2.962 20 0 GFADRO CCc1noc(C)c1[C@@H](C)[NH2+]CCNS(=O)(=O)c1ccc(F)cc1Cl ZINC000800989356 659361995 /nfs/dbraw/zinc/36/19/95/659361995.db2.gz COZVZPRSCZYWQG-SNVBAGLBSA-N 1 0 389.880 2.967 20 0 GFADRO Cc1nn(C)c(Br)c1C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000801099504 659368765 /nfs/dbraw/zinc/36/87/65/659368765.db2.gz REXBZARBRQYGLC-OCCSQVGLSA-N 1 0 381.318 2.580 20 0 GFADRO O=C(c1ccc(Nc2cc[nH+]cc2)cc1)N1CCn2c(Br)cnc2C1 ZINC000801242653 659380649 /nfs/dbraw/zinc/38/06/49/659380649.db2.gz HVRLICPJJOWZRE-UHFFFAOYSA-N 1 0 398.264 2.862 20 0 GFADRO C[C@@H](NC(=O)NC[C@@H](O)c1cccc(Br)c1)C(C)(C)C[NH+](C)C ZINC000801756103 659423797 /nfs/dbraw/zinc/42/37/97/659423797.db2.gz XRBLFRDTBUEXCB-IUODEOHRSA-N 1 0 386.334 2.758 20 0 GFADRO CC(C)[N@@H+]1CCO[C@H](COC(=O)[C@@H](C)Oc2ccccc2Br)C1 ZINC000802136193 659448151 /nfs/dbraw/zinc/44/81/51/659448151.db2.gz GTRSCXSIAQEZJE-KGLIPLIRSA-N 1 0 386.286 2.869 20 0 GFADRO Cn1nc(Br)cc1C(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000802382892 659481140 /nfs/dbraw/zinc/48/11/40/659481140.db2.gz XTPJQJOPLASOSF-LBPRGKRZSA-N 1 0 385.693 2.869 20 0 GFADRO C[N@@H+]1CCCC[C@@H]1CCC(=O)OCc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000803856891 659610553 /nfs/dbraw/zinc/61/05/53/659610553.db2.gz BBKKCGKTRPKRRA-CQSZACIVSA-N 1 0 375.437 2.991 20 0 GFADRO COCC[N@H+](C)CCCNc1cc(Br)cnc1Br ZINC000804350486 659637286 /nfs/dbraw/zinc/63/72/86/659637286.db2.gz OYIHLSUXEOICJZ-UHFFFAOYSA-N 1 0 381.112 2.987 20 0 GFADRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F ZINC000805111173 659741279 /nfs/dbraw/zinc/74/12/79/659741279.db2.gz SLUAFBUZDRNPJL-BDAKNGLRSA-N 1 0 384.370 2.629 20 0 GFADRO CNC(=O)c1cccc(NC(=O)NC[C@H](C)[NH+]2CCCCC2)c1Br ZINC000806735730 659840682 /nfs/dbraw/zinc/84/06/82/659840682.db2.gz MFOSWUWTOAVTKL-LBPRGKRZSA-N 1 0 397.317 2.805 20 0 GFADRO CCO[C@@H](CC[NH+](C)C)CNC(=O)c1nc(Br)sc1C1CC1 ZINC000807036614 659846403 /nfs/dbraw/zinc/84/64/03/659846403.db2.gz BAFXKLQEZFCISJ-NSHDSACASA-N 1 0 390.347 2.870 20 0 GFADRO C[N@H+](Cc1ccccc1)C1CN(C(=O)N[C@@H]2CC[C@@H]3SCCS[C@@H]23)C1 ZINC000807040229 659846866 /nfs/dbraw/zinc/84/68/66/659846866.db2.gz OHLOELZFHFXOPB-SQNIBIBYSA-N 1 0 377.579 2.892 20 0 GFADRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1CN1Cc2c(cccc2Br)C1=O ZINC000808190634 659880912 /nfs/dbraw/zinc/88/09/12/659880912.db2.gz IKTIPRHYVLXFOF-SUMWQHHRSA-N 1 0 378.314 2.921 20 0 GFADRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1CN1Cc2ccc(Br)cc2C1=O ZINC000808194659 659881502 /nfs/dbraw/zinc/88/15/02/659881502.db2.gz YVGBCQHQCRKMLW-DYVFJYSZSA-N 1 0 378.314 2.921 20 0 GFADRO O=C(N[C@H](CO)C[NH+]1CCCC1)C1(c2ccc(Br)cc2)CCCC1 ZINC000808217826 659882525 /nfs/dbraw/zinc/88/25/25/659882525.db2.gz DSCVKRQBCNSQGU-KRWDZBQOSA-N 1 0 395.341 2.834 20 0 GFADRO O=C(N[C@@H](CO)C[NH+]1CCCC1)C1(c2ccc(Br)cc2)CCCC1 ZINC000808217827 659882633 /nfs/dbraw/zinc/88/26/33/659882633.db2.gz DSCVKRQBCNSQGU-QGZVFWFLSA-N 1 0 395.341 2.834 20 0 GFADRO O=S1(=O)CCC[C@@H](C[NH2+]Cc2nc3ccc(Br)cc3s2)C1 ZINC000808427445 659893792 /nfs/dbraw/zinc/89/37/92/659893792.db2.gz RWPRRBJJDMLIRW-JTQLQIEISA-N 1 0 389.340 2.973 20 0 GFADRO CCS(=O)(=O)N1CCC([C@H](C)[N@H+](C)C[C@@H](O)c2cccc(Cl)c2)CC1 ZINC000808775694 659905487 /nfs/dbraw/zinc/90/54/87/659905487.db2.gz HQXALBFOJQHQJT-KBXCAEBGSA-N 1 0 388.961 2.755 20 0 GFADRO Cc1ccc(/C=C/C(=O)NCCC[N@@H+](C)CCN(C)C)c(Br)c1 ZINC000809190294 659919058 /nfs/dbraw/zinc/91/90/58/659919058.db2.gz XUPLPSAEDHZSEO-CMDGGOBGSA-N 1 0 382.346 2.770 20 0 GFADRO CC[NH+](CC)CCN(CCOC)Cc1nc2ccccn2c1Br ZINC000809568328 659932260 /nfs/dbraw/zinc/93/22/60/659932260.db2.gz LTMZGSZCZINWIA-UHFFFAOYSA-N 1 0 383.334 2.887 20 0 GFADRO COC(=O)N1CCC(C[NH2+]Cc2cc(O)c(OC)cc2Br)CC1 ZINC000809710624 659936756 /nfs/dbraw/zinc/93/67/56/659936756.db2.gz VVOYKXYYWXJBML-UHFFFAOYSA-N 1 0 387.274 2.731 20 0 GFADRO C[C@H](CCCNC(=O)OC(C)(C)C)[NH2+]Cc1ccc(S(C)(=O)=O)s1 ZINC000810238201 659967409 /nfs/dbraw/zinc/96/74/09/659967409.db2.gz HPXCGCBOYCSIHS-GFCCVEGCSA-N 1 0 376.544 2.935 20 0 GFADRO CSc1nc2ccc(NC(=O)C(=O)N[C@@H](C)C[N@H+](C)C(C)C)cc2s1 ZINC000810442473 659973489 /nfs/dbraw/zinc/97/34/89/659973489.db2.gz URQNGEPAIKUDKR-NSHDSACASA-N 1 0 380.539 2.802 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)N[C@@H](CO)c2ccc(Br)cc2)C1 ZINC000810935471 659990681 /nfs/dbraw/zinc/99/06/81/659990681.db2.gz LRZXSJHFOJUQCM-YOEHRIQHSA-N 1 0 387.293 2.811 20 0 GFADRO CSC1(CNC(=O)NC[C@H](O)c2c(F)cccc2Cl)CC[NH+](C)CC1 ZINC000811943937 660018162 /nfs/dbraw/zinc/01/81/62/660018162.db2.gz UEDRHUJYYWDIJC-AWEZNQCLSA-N 1 0 389.924 2.639 20 0 GFADRO CS(=O)(=O)[C@@H]1CCC[C@@H]([NH2+]Cc2c(F)ccc(C3OCCO3)c2Cl)C1 ZINC000812833914 660035516 /nfs/dbraw/zinc/03/55/16/660035516.db2.gz DCIULIONMTXMPK-VXGBXAGGSA-N 1 0 391.892 2.970 20 0 GFADRO C[N@@H+]1CC[C@@]2(CCN(C(=O)Nc3cc4c(cc3Br)OCCO4)C2)C1 ZINC000814501036 660087091 /nfs/dbraw/zinc/08/70/91/660087091.db2.gz MJNDNOLTNCXHJE-QGZVFWFLSA-N 1 0 396.285 2.780 20 0 GFADRO CN(C)C(=O)NCC[N@H+](C)C[C@@](C)(O)c1ccc(Br)cc1Cl ZINC000815081190 660110444 /nfs/dbraw/zinc/11/04/44/660110444.db2.gz USGBYJVZLCBALR-OAHLLOKOSA-N 1 0 392.725 2.513 20 0 GFADRO CC[N@H+](CCOCCO)C[C@](C)(O)c1ccc(Br)cc1Cl ZINC000815109590 660112886 /nfs/dbraw/zinc/11/28/86/660112886.db2.gz HJNWISDOAJPZBQ-HNNXBMFYSA-N 1 0 380.710 2.641 20 0 GFADRO OC[C@]1([C@@H]([NH2+]C[C@@H](O)c2ccc(F)c(Br)c2)C2CC2)CCCO1 ZINC000815292849 660120183 /nfs/dbraw/zinc/12/01/83/660120183.db2.gz RHLDKEGUPAHARR-IKGGRYGDSA-N 1 0 388.277 2.531 20 0 GFADRO CS(=O)(=O)CC1CCC([NH2+]C[C@H](O)c2ccccc2C(F)(F)F)CC1 ZINC000815567175 660125844 /nfs/dbraw/zinc/12/58/44/660125844.db2.gz QNJLWWBBASPYNS-ZUEPYMLJSA-N 1 0 379.444 2.932 20 0 GFADRO CC(C)C[N@@H+]1CCO[C@@H](COC(=O)Cc2cscc2Br)C1 ZINC000815948850 660137231 /nfs/dbraw/zinc/13/72/31/660137231.db2.gz WHFZXPUIDPYJTF-CYBMUJFWSA-N 1 0 376.316 2.953 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccn(-c4ccc(Br)cc4)n3)C[C@@H]2C1 ZINC000816777705 660168437 /nfs/dbraw/zinc/16/84/37/660168437.db2.gz IHMHCDYWJLMDFX-KGLIPLIRSA-N 1 0 389.297 2.659 20 0 GFADRO CN(C(C)(C)C[NH+]1CCCC1)S(=O)(=O)c1ccc2nc(Cl)cnc2c1 ZINC000841571268 661304909 /nfs/dbraw/zinc/30/49/09/661304909.db2.gz CFPXHTAREJFIBX-UHFFFAOYSA-N 1 0 382.917 2.778 20 0 GFADRO O=C(NCCc1ccc(Br)cc1F)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000841794438 661313425 /nfs/dbraw/zinc/31/34/25/661313425.db2.gz GIBIPDFCRSRYOR-KRWDZBQOSA-N 1 0 384.293 2.916 20 0 GFADRO O=C(NC[C@H]1CCCC[N@H+]1CCO)Nc1cnc(Cl)c(C(F)(F)F)c1 ZINC000841796031 661313872 /nfs/dbraw/zinc/31/38/72/661313872.db2.gz HIVLPDVDEIWGSY-LLVKDONJSA-N 1 0 380.798 2.722 20 0 GFADRO COC(=O)N1CCC[C@@H]([NH2+]Cc2ccc(F)cc2I)C1 ZINC000841860021 661316793 /nfs/dbraw/zinc/31/67/93/661316793.db2.gz LHSWBCVPINJVNM-GFCCVEGCSA-N 1 0 392.212 2.751 20 0 GFADRO CCC[NH2+]CCNC(=O)N1CCC[C@@H]([C@@H](O)c2ccc(Br)cc2)C1 ZINC000841960844 661318510 /nfs/dbraw/zinc/31/85/10/661318510.db2.gz HFRMSNXDKJLPPO-WBVHZDCISA-N 1 0 398.345 2.904 20 0 GFADRO O=C(N[C@@H]1CCC[NH2+]CC1)N1CCO[C@H](c2ccccc2Br)C1 ZINC000841977052 661318758 /nfs/dbraw/zinc/31/87/58/661318758.db2.gz GLVKRZFIJQMNGB-CJNGLKHVSA-N 1 0 382.302 2.674 20 0 GFADRO O=C1[C@@H]([NH2+]Cc2cc(Cl)cc(Br)c2)CCN1C1CCOCC1 ZINC000842167392 661326063 /nfs/dbraw/zinc/32/60/63/661326063.db2.gz QGJYLGDBAJEEJE-HNNXBMFYSA-N 1 0 387.705 2.972 20 0 GFADRO CC[N@H+](CCNC(=O)C(=O)Nc1cnc(Cl)c(C(F)(F)F)c1)C(C)C ZINC000842203723 661327075 /nfs/dbraw/zinc/32/70/75/661327075.db2.gz WVEGMMVHPXALNF-UHFFFAOYSA-N 1 0 380.798 2.539 20 0 GFADRO C[NH+](C)C1(CNC(=O)C(=O)Nc2cccc(Cl)c2SC(F)F)CC1 ZINC000842226555 661329154 /nfs/dbraw/zinc/32/91/54/661329154.db2.gz WNKVHUXZDRLXDN-UHFFFAOYSA-N 1 0 377.844 2.804 20 0 GFADRO CS(=O)(=O)[C@H]1CCC[C@@H]([NH2+]Cc2cc(Br)cnc2Cl)C1 ZINC000842682805 661348835 /nfs/dbraw/zinc/34/88/35/661348835.db2.gz NJOIODULTXQSCY-NEPJUHHUSA-N 1 0 381.723 2.943 20 0 GFADRO CS(=O)(=O)[C@H]1CCC[C@H]([NH2+]Cc2cc(Br)cnc2Cl)C1 ZINC000842682807 661349058 /nfs/dbraw/zinc/34/90/58/661349058.db2.gz NJOIODULTXQSCY-RYUDHWBXSA-N 1 0 381.723 2.943 20 0 GFADRO C[C@H]1Cc2cc(S(=O)(=O)NCc3ccc(CC[NH3+])cc3)cc(Cl)c2O1 ZINC000842701457 661349849 /nfs/dbraw/zinc/34/98/49/661349849.db2.gz IIXPCKPDVCMFNV-LBPRGKRZSA-N 1 0 380.897 2.643 20 0 GFADRO Cc1c(Br)cccc1S(=O)(=O)NCc1ccc(CC[NH3+])cc1 ZINC000842701673 661349977 /nfs/dbraw/zinc/34/99/77/661349977.db2.gz SLVYSHFEHQMLEZ-UHFFFAOYSA-N 1 0 383.311 2.737 20 0 GFADRO CNC(=O)[C@H](C[NH2+]Cc1c(Cl)nc(Cl)n1C)Cc1ccc(F)cc1C ZINC000842722555 661351273 /nfs/dbraw/zinc/35/12/73/661351273.db2.gz QFIXNNDPCJCXFV-LBPRGKRZSA-N 1 0 387.286 2.869 20 0 GFADRO [NH3+]C1CC2(C1)CC(NS(=O)(=O)c1cc(Cl)ccc1Br)C2 ZINC000842796415 661354957 /nfs/dbraw/zinc/35/49/57/661354957.db2.gz ALIZHYNMDJQCTM-UHFFFAOYSA-N 1 0 379.707 2.651 20 0 GFADRO COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N1CCCC[C@@H]1CC[NH3+] ZINC000842860993 661357538 /nfs/dbraw/zinc/35/75/38/661357538.db2.gz YMBRFYOFMWQFSC-UKRRQHHQSA-N 1 0 390.933 2.646 20 0 GFADRO O=S(=O)(c1ccc(C(F)(F)F)cn1)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000842875364 661358207 /nfs/dbraw/zinc/35/82/07/661358207.db2.gz NQDIHWHMKVJRSY-QWHCGFSZSA-N 1 0 377.432 2.501 20 0 GFADRO [NH3+]CCCCCCNC(=O)C(=O)Nc1cccc2cncc(Br)c21 ZINC000843052014 661365298 /nfs/dbraw/zinc/36/52/98/661365298.db2.gz JZVZXEPYKPKICM-UHFFFAOYSA-N 1 0 393.285 2.571 20 0 GFADRO Cc1ccccc1[C@@H](O)C[NH2+]C[C@@H](O)COc1ccccc1Br ZINC000843094416 661367690 /nfs/dbraw/zinc/36/76/90/661367690.db2.gz KVUFOWZGIMXLAC-PBHICJAKSA-N 1 0 380.282 2.820 20 0 GFADRO C[C@](O)(C[NH2+]C[C@@H](CO)[C@H]1CCOC1)c1ccc(Br)cc1Cl ZINC000843112886 661368940 /nfs/dbraw/zinc/36/89/40/661368940.db2.gz WPYSYNMRYZWGNX-MKBNYLNASA-N 1 0 392.721 2.545 20 0 GFADRO OCC1([C@H]([NH2+]C[C@@H](O)c2ccccc2Br)C2CC2)CCOCC1 ZINC000843115757 661369464 /nfs/dbraw/zinc/36/94/64/661369464.db2.gz RRTFXVKODAPDPO-IAGOWNOFSA-N 1 0 384.314 2.640 20 0 GFADRO CC(=O)N[C@@H](Cc1nc([C@@H]([NH3+])C(C)C)no1)c1ccc(Br)cc1 ZINC000843154577 661370980 /nfs/dbraw/zinc/37/09/80/661370980.db2.gz YVDHTUAVSVOIDI-ZFWWWQNUSA-N 1 0 381.274 2.908 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CN(C(=O)C(C)(C)Sc2ccc(Br)cc2)CCO1 ZINC000843357182 661378642 /nfs/dbraw/zinc/37/86/42/661378642.db2.gz PIXAWRZUEHGQKG-FZMZJTMJSA-N 1 0 387.343 2.894 20 0 GFADRO C[C@@H](C[C@H](C)[NH2+]Cc1cc(Br)nn1C)NC(=O)OC(C)(C)C ZINC000843417396 661380840 /nfs/dbraw/zinc/38/08/40/661380840.db2.gz SVFAPNULBBAOPA-QWRGUYRKSA-N 1 0 375.311 2.964 20 0 GFADRO C[NH+]1CCC2(CC1)CN(Cc1ccccc1I)CCO2 ZINC000843431338 661381098 /nfs/dbraw/zinc/38/10/98/661381098.db2.gz BXDARJQKLNZSNX-UHFFFAOYSA-N 1 0 386.277 2.588 20 0 GFADRO Cc1ccc(/C=C/C(=O)N2C[C@@H](C[NH3+])C3(C2)CCOCC3)c(Br)c1 ZINC000843486938 661383138 /nfs/dbraw/zinc/38/31/38/661383138.db2.gz XXINGHJMLLCEDY-DWTRPJMMSA-N 1 0 393.325 2.985 20 0 GFADRO Cc1nc(-c2cc3c(s2)CCN(C(=O)CO[C@@H]2CCC[NH2+]C2)C3)cs1 ZINC000843495544 661383537 /nfs/dbraw/zinc/38/35/37/661383537.db2.gz UGYXLHRZWPBGQL-CQSZACIVSA-N 1 0 377.535 2.833 20 0 GFADRO COCC[N@H+]1[C@H](C)CN(C(=O)Cc2ccc(Br)s2)C[C@@H]1C ZINC000844021373 661400639 /nfs/dbraw/zinc/40/06/39/661400639.db2.gz LCLUNJHPJCDITM-TXEJJXNPSA-N 1 0 375.332 2.621 20 0 GFADRO COCC[N@H+]1[C@H](C)CN(C(=O)Cc2sccc2Br)C[C@@H]1C ZINC000844023149 661400910 /nfs/dbraw/zinc/40/09/10/661400910.db2.gz OCMWFIZDHWTLIV-TXEJJXNPSA-N 1 0 375.332 2.621 20 0 GFADRO Cc1ccc(C[N@H+]2CC[C@H](CN(C)[C@H](C)c3nc(N)nc(Cl)n3)C2)s1 ZINC000844328784 661416022 /nfs/dbraw/zinc/41/60/22/661416022.db2.gz XXJJHSXHAZFSPQ-CHWSQXEVSA-N 1 0 380.949 2.992 20 0 GFADRO C[N@@H+]1CCC[C@H]2CN(Cn3nc(-c4ccc(Cl)s4)ccc3=O)CC[C@H]21 ZINC000844697525 661435164 /nfs/dbraw/zinc/43/51/64/661435164.db2.gz JKUXWZYCJQCERN-DZGCQCFKSA-N 1 0 378.929 2.999 20 0 GFADRO CC(C)C[N@H+](C)CCCNC(=O)NC[C@@H](O)c1cccc(Br)c1 ZINC000845312403 661465083 /nfs/dbraw/zinc/46/50/83/661465083.db2.gz XCXCLLIKNUVRQA-MRXNPFEDSA-N 1 0 386.334 2.760 20 0 GFADRO CC(C)[N@@H+]1CCO[C@H](COC(=O)[C@@H]2CCOc3ccc(Br)cc32)C1 ZINC000845514064 661476178 /nfs/dbraw/zinc/47/61/78/661476178.db2.gz RWKMXSWNJLHWEB-LSDHHAIUSA-N 1 0 398.297 2.968 20 0 GFADRO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)NCCC[C@H]2CC2(Cl)Cl)CC1 ZINC000845668692 661486667 /nfs/dbraw/zinc/48/66/67/661486667.db2.gz YNDCFMFFWJJVKM-JKSUJKDBSA-N 1 0 391.387 2.772 20 0 GFADRO CN1CC[NH+](CCC(C)(C)NC(=O)NCCC[C@H]2CC2(Cl)Cl)CC1 ZINC000845678272 661490418 /nfs/dbraw/zinc/49/04/18/661490418.db2.gz ZFGJATWQSCXRHV-AWEZNQCLSA-N 1 0 379.376 2.676 20 0 GFADRO C[C@@H]1[C@H](COC(=O)CCNC(=O)Nc2ccc(Br)cc2)CC[N@@H+]1C ZINC000845814307 661498179 /nfs/dbraw/zinc/49/81/79/661498179.db2.gz MPBFGXPZJVZVIO-OLZOCXBDSA-N 1 0 398.301 2.844 20 0 GFADRO C[C@]1(CCNC(=O)N2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)CC1(Cl)Cl ZINC000846169897 661534880 /nfs/dbraw/zinc/53/48/80/661534880.db2.gz GUWRNOGBSVYNTH-YXWQFLTLSA-N 1 0 378.344 2.888 20 0 GFADRO Cc1cnc(Br)c(NC(=O)N2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)c1 ZINC000846311683 661544472 /nfs/dbraw/zinc/54/44/72/661544472.db2.gz OCRSPKJVUJHKPO-GZBFAFLISA-N 1 0 397.317 2.903 20 0 GFADRO C[NH+](C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC[C@@]1(C)C[C@]1(F)Cl ZINC000846398489 661547796 /nfs/dbraw/zinc/54/77/96/661547796.db2.gz HJRULXYABXMRIV-AFAVFJNCSA-N 1 0 379.904 2.652 20 0 GFADRO C[NH+](C)CC[C@H](N)C(=O)N=c1sccn1Cc1ccc(Cl)cc1Cl ZINC000846672125 661561307 /nfs/dbraw/zinc/56/13/07/661561307.db2.gz JHSNJBZHENUFJQ-AWEZNQCLSA-N 1 0 387.336 2.611 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(C(=O)[C@H](O)c3cc(Cl)cc(Cl)c3)C2)C1 ZINC000846686544 661561749 /nfs/dbraw/zinc/56/17/49/661561749.db2.gz HLRVOJCXCDOYKH-KLWIRTJPSA-N 1 0 387.307 2.772 20 0 GFADRO COC(=O)/C=C1\SCC(=O)N1CCC[NH2+][C@H](C)C1CCC(F)(F)CC1 ZINC000847072500 661575427 /nfs/dbraw/zinc/57/54/27/661575427.db2.gz CHTLBIKHVSZQIL-DYTQJMLRSA-N 1 0 376.469 2.770 20 0 GFADRO C[C@H](NC(=O)c1ccn(CC[NH+](C)C)n1)[C@H](O)c1c(Cl)cccc1Cl ZINC000847594537 661600481 /nfs/dbraw/zinc/60/04/81/661600481.db2.gz NCEFLQAMYFTTQX-ZBEGNZNMSA-N 1 0 385.295 2.603 20 0 GFADRO COCC[NH+]1CCC(OC(=O)Cn2nc(C(F)(F)F)c(Cl)c2C)CC1 ZINC000847886476 661615385 /nfs/dbraw/zinc/61/53/85/661615385.db2.gz XEYOCMXKJOWKNE-UHFFFAOYSA-N 1 0 383.798 2.518 20 0 GFADRO CC[N@H+](CCNC(=O)c1nc(F)ccc1Br)CCC(F)(F)F ZINC000847902341 661615912 /nfs/dbraw/zinc/61/59/12/661615912.db2.gz QSNODBKNAALCHF-UHFFFAOYSA-N 1 0 386.187 2.987 20 0 GFADRO C[C@H](COC(=O)CN(C)C(=O)c1ccc(Br)o1)[NH+]1CCCCC1 ZINC000847961028 661618591 /nfs/dbraw/zinc/61/85/91/661618591.db2.gz QONADPQJWXVQEY-GFCCVEGCSA-N 1 0 387.274 2.532 20 0 GFADRO CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2cnc(Cl)n2C)cc1 ZINC000848523881 661660954 /nfs/dbraw/zinc/66/09/54/661660954.db2.gz AYUPNLPMKJNPFQ-ZDUSSCGKSA-N 1 0 384.933 2.955 20 0 GFADRO [NH3+]CC12CCC(CC1)CN2S(=O)(=O)/C=C\c1cccc(Br)c1 ZINC000848601686 661666957 /nfs/dbraw/zinc/66/69/57/661666957.db2.gz GQNUIHWPIFGBFZ-TWGQIWQCSA-N 1 0 385.327 2.953 20 0 GFADRO COC(=O)Cc1ccccc1C[NH2+]C[C@@H](O)c1ccccc1Br ZINC000848677786 661671996 /nfs/dbraw/zinc/67/19/96/661671996.db2.gz GJQCGSSXOXOTPP-QGZVFWFLSA-N 1 0 378.266 2.988 20 0 GFADRO [NH2+]=C(NCCc1ccccc1)NC[C@@H](CO)Cc1ccccc1Br ZINC000849103996 661691829 /nfs/dbraw/zinc/69/18/29/661691829.db2.gz IUZLNPHQAAELFR-INIZCTEOSA-N 1 0 390.325 2.957 20 0 GFADRO CCOCCCNC(=[NH2+])NCc1c(Br)cncc1Br ZINC000849113213 661692890 /nfs/dbraw/zinc/69/28/90/661692890.db2.gz MICRNLBGUCIHRR-UHFFFAOYSA-N 1 0 394.111 2.647 20 0 GFADRO C[C@@H]1[C@@H](c2ccc(Br)cc2)OCCN1C(=S)NCC[NH+](C)C ZINC000849286052 661703065 /nfs/dbraw/zinc/70/30/65/661703065.db2.gz DQDSZMIZWVFSAX-DOMZBBRYSA-N 1 0 386.359 2.647 20 0 GFADRO C[C@@H](CN1C(=O)N[C@H](c2ccccc2Br)C1=O)[NH+]1CCCCC1 ZINC000849352196 661708685 /nfs/dbraw/zinc/70/86/85/661708685.db2.gz RYAOWUSVZOYYGV-SWLSCSKDSA-N 1 0 380.286 2.916 20 0 GFADRO COc1ccc(OC)c([C@H](O)C[NH2+]Cc2cncc(Br)c2C)c1 ZINC000850021568 661762499 /nfs/dbraw/zinc/76/24/99/661762499.db2.gz KGGKLJBSUAKZGR-MRXNPFEDSA-N 1 0 381.270 2.993 20 0 GFADRO CCCS(=O)(=O)N1CCC([NH2+]Cc2cc(F)ccc2OC(F)F)CC1 ZINC000850032097 661763195 /nfs/dbraw/zinc/76/31/95/661763195.db2.gz ZJEFIWZFPJEWRG-UHFFFAOYSA-N 1 0 380.432 2.721 20 0 GFADRO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]C[C@H]1C(C)(C)C1(F)F ZINC000850394614 661774686 /nfs/dbraw/zinc/77/46/86/661774686.db2.gz WLUHJJZCEDJHOK-JQWIXIFHSA-N 1 0 381.876 2.585 20 0 GFADRO O=C(N1CC[C@H]([NH2+]CCSCCCO)c2ccccc2C1)C(F)(F)F ZINC000850434178 661775963 /nfs/dbraw/zinc/77/59/63/661775963.db2.gz UYRDPDAWZBWRTF-HNNXBMFYSA-N 1 0 376.444 2.728 20 0 GFADRO C[C@@H]([NH2+]C[C@H](O)CS(=O)(=O)c1cccs1)c1ccc2c(c1)CCCO2 ZINC000850448902 661776676 /nfs/dbraw/zinc/77/66/76/661776676.db2.gz WSTLKGHOJWIKKE-CJNGLKHVSA-N 1 0 381.519 2.559 20 0 GFADRO CON(C)CC[NH2+][C@H]1CCCOc2ccc(I)cc21 ZINC000850479192 661777925 /nfs/dbraw/zinc/77/79/25/661777925.db2.gz NEJDWZAXQFUSAL-ZDUSSCGKSA-N 1 0 376.238 2.588 20 0 GFADRO C[C@H]([NH2+]CCNC(=O)c1ccc(Br)cn1)c1ccnc(Cl)c1 ZINC000850494106 661779112 /nfs/dbraw/zinc/77/91/12/661779112.db2.gz MSKGWADDLJEDSK-JTQLQIEISA-N 1 0 383.677 2.973 20 0 GFADRO C[C@@H]([NH2+]CCNC(=O)c1ccc(Br)cn1)c1ccc(Cl)nc1 ZINC000850494378 661779146 /nfs/dbraw/zinc/77/91/46/661779146.db2.gz OIHUXDGXBRGGIP-SNVBAGLBSA-N 1 0 383.677 2.973 20 0 GFADRO COc1cc([C@@H](C)[NH2+]CCS(=O)(=O)CC(F)(F)F)ccc1OC(F)F ZINC000850518627 661780559 /nfs/dbraw/zinc/78/05/59/661780559.db2.gz CYBXKDQZOXSGFW-SECBINFHSA-N 1 0 391.358 2.924 20 0 GFADRO C[C@@H]([NH2+]CCN1C[C@@H]2CCCCN2C1=O)c1cc(Br)ncc1F ZINC000850563366 661781644 /nfs/dbraw/zinc/78/16/44/661781644.db2.gz WXQNQFBNYVEZEV-NEPJUHHUSA-N 1 0 385.281 2.924 20 0 GFADRO O=S(=O)(N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)c1cnc(Cl)c(Cl)c1 ZINC000850590730 661782807 /nfs/dbraw/zinc/78/28/07/661782807.db2.gz VGPXVHALOBESRZ-UKRRQHHQSA-N 1 0 386.304 2.812 20 0 GFADRO CC[NH2+]Cc1cccc(NC(=O)N2CCn3ncc(Br)c3C2)c1 ZINC000850751360 661790355 /nfs/dbraw/zinc/79/03/55/661790355.db2.gz ARNXVUMLSOCNMZ-UHFFFAOYSA-N 1 0 378.274 2.803 20 0 GFADRO [NH3+]CCc1ccc(CNC(=O)c2cc(Br)cc3c2OCCO3)cc1 ZINC000851630314 661826691 /nfs/dbraw/zinc/82/66/91/661826691.db2.gz FXIQHLTVUSKOMJ-UHFFFAOYSA-N 1 0 391.265 2.652 20 0 GFADRO [NH3+]CCCCCCNC(=O)N1CCN(c2ccc(Br)cc2)CC1 ZINC000851668819 661827939 /nfs/dbraw/zinc/82/79/39/661827939.db2.gz YNIJAOHYQOQYDD-UHFFFAOYSA-N 1 0 383.334 2.800 20 0 GFADRO O=C(Nc1cccc(Br)c1)C1CC[NH+](C[C@@H]2CCC(=O)O2)CC1 ZINC000851836312 661837328 /nfs/dbraw/zinc/83/73/28/661837328.db2.gz KSMIOVMCYRGLAI-HNNXBMFYSA-N 1 0 381.270 2.805 20 0 GFADRO O=C(NCCC[NH+]1CCCCC1)C1CCN(CC(F)(F)Br)CC1 ZINC000851862719 661840080 /nfs/dbraw/zinc/84/00/80/661840080.db2.gz FAELGLKWIQEKDP-UHFFFAOYSA-N 1 0 396.320 2.678 20 0 GFADRO C[C@@H]([NH2+]CCn1cnc(Br)n1)c1ccc(N2CCCC2=O)cc1 ZINC000851896262 661844198 /nfs/dbraw/zinc/84/41/98/661844198.db2.gz CKDHFQNUTSFFPU-GFCCVEGCSA-N 1 0 378.274 2.518 20 0 GFADRO CCOP(=O)(OCC)[C@H](O)C[NH2+][C@H](CO)c1ccc(Br)cc1 ZINC000851917444 661845979 /nfs/dbraw/zinc/84/59/79/661845979.db2.gz DNJZFNJLZWFWEJ-KGLIPLIRSA-N 1 0 396.218 2.657 20 0 GFADRO CC(=O)c1nc(CC[N@@H+](C)C[C@@H](O)c2cccc(Br)c2)[nH]c1C ZINC000852171630 661855724 /nfs/dbraw/zinc/85/57/24/661855724.db2.gz KIMCOEBWOWVTJO-OAHLLOKOSA-N 1 0 380.286 2.891 20 0 GFADRO OC[C@@H](C1CCC1)[N@H+](CCn1cnc(Br)n1)Cc1ccccc1 ZINC000852205886 661856399 /nfs/dbraw/zinc/85/63/99/661856399.db2.gz AGYPTKMCPFPIKB-INIZCTEOSA-N 1 0 379.302 2.704 20 0 GFADRO FC1(F)CC(C[NH+]2CCC(n3nncc3I)CC2)C1 ZINC000852533035 661866627 /nfs/dbraw/zinc/86/66/27/661866627.db2.gz RSBNCMMWZNJFBN-UHFFFAOYSA-N 1 0 382.196 2.565 20 0 GFADRO COC(=O)N(C)CCN(C)[C@@H](C)C(=O)Nc1ccc(Br)c(C)c1 ZINC000852569633 661867155 /nfs/dbraw/zinc/86/71/55/661867155.db2.gz GNAXRMCWRSMNEL-LBPRGKRZSA-N 1 0 386.290 2.715 20 0 GFADRO CN(C(=O)c1cnn(-c2ccccc2)c1Br)C1CCC([NH3+])CC1 ZINC000852799611 661874670 /nfs/dbraw/zinc/87/46/70/661874670.db2.gz VIZKQCZSDUMNKH-UHFFFAOYSA-N 1 0 377.286 2.977 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)C=C1CC[NH2+]CC1 ZINC000852827713 661875410 /nfs/dbraw/zinc/87/54/10/661875410.db2.gz OBSCPUSNGXZPAX-UHFFFAOYSA-N 1 0 380.286 2.512 20 0 GFADRO [NH3+]C[C@H]1CC(C(=O)Nc2nc(-c3cc(Br)cs3)cs2)=NO1 ZINC000852839362 661875608 /nfs/dbraw/zinc/87/56/08/661875608.db2.gz CRDPIFGAIPZQFX-SSDOTTSWSA-N 1 0 387.284 2.676 20 0 GFADRO CC(C)(C(=O)N1CCn2ncc(Br)c2C1)[C@@H]([NH3+])c1ccccc1 ZINC000852868601 661875891 /nfs/dbraw/zinc/87/58/91/661875891.db2.gz SQMGCAKHTOJMJW-HNNXBMFYSA-N 1 0 377.286 2.714 20 0 GFADRO C[C@@]([NH3+])(C(=O)NCCC1SCCS1)c1ccc(Br)cc1 ZINC000852869215 661875915 /nfs/dbraw/zinc/87/59/15/661875915.db2.gz ZIZFRKUZXKNJNF-AWEZNQCLSA-N 1 0 375.357 2.935 20 0 GFADRO C[NH2+]C[C@@H](C)NC(=O)c1cnn(-c2ncccc2Cl)c1C(F)(F)Cl ZINC000852922309 661877203 /nfs/dbraw/zinc/87/72/03/661877203.db2.gz WZHDGRMOOCKBSY-MRVPVSSYSA-N 1 0 378.210 2.547 20 0 GFADRO O[C@H]1CC[N@@H+](C2CCN(C(=S)Nc3ccc(Br)cc3)CC2)C1 ZINC000853043246 661879493 /nfs/dbraw/zinc/87/94/93/661879493.db2.gz IAPJGGKIJFEOIK-HNNXBMFYSA-N 1 0 384.343 2.677 20 0 GFADRO C[NH+](C)[C@@H](CNc1ccc2c(c1)S(=O)(=O)N=C2Cl)Cc1ccccc1 ZINC000853089535 661882074 /nfs/dbraw/zinc/88/20/74/661882074.db2.gz VIDVELUVZHWLKL-OAHLLOKOSA-N 1 0 377.897 2.959 20 0 GFADRO COc1ccccc1[C@H](CNC(=O)NCC1SCCS1)[NH+]1CCCC1 ZINC000853235547 661885791 /nfs/dbraw/zinc/88/57/91/661885791.db2.gz JMNPINDLPOFQJX-HNNXBMFYSA-N 1 0 381.567 2.937 20 0 GFADRO CCOCCC[N@@H+]1CC[C@H](Nc2ncnc(F)c2Br)[C@H](C)C1 ZINC000853342269 661887802 /nfs/dbraw/zinc/88/78/02/661887802.db2.gz BQBDDXIGBLRNDF-NEPJUHHUSA-N 1 0 375.286 2.927 20 0 GFADRO CS[C@@H]1CN(c2nc(Cl)nc3c(Br)c[nH]c32)C[C@H]1[NH+](C)C ZINC000853461581 661889521 /nfs/dbraw/zinc/88/95/21/661889521.db2.gz VFKBBMILSAZMGN-RKDXNWHRSA-N 1 0 390.738 2.856 20 0 GFADRO O=C(N1CCC[C@H]([C@@H]2CCCC[N@@H+]2Cn2cc[nH]c2=S)C1)C(F)(F)F ZINC000853547604 661891956 /nfs/dbraw/zinc/89/19/56/661891956.db2.gz VMUNFRQMQBXGEE-STQMWFEESA-N 1 0 376.448 2.785 20 0 GFADRO CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@]1(C)CC1(Br)Br ZINC000854443381 661934142 /nfs/dbraw/zinc/93/41/42/661934142.db2.gz WRXKOIDAWQHYJP-JQWIXIFHSA-N 1 0 382.140 2.873 20 0 GFADRO C[C@H]1COCC[N@@H+]1C1CCN(C(=O)/C=C/c2ccc(Br)o2)CC1 ZINC000854569571 661940247 /nfs/dbraw/zinc/94/02/47/661940247.db2.gz WUDQCJGIBRLIOV-LQPUYASZSA-N 1 0 383.286 2.767 20 0 GFADRO CN1CC[NH+](CC2CN(C(=O)C(F)(F)c3cc(Cl)ccc3Cl)C2)CC1 ZINC000854645121 661945240 /nfs/dbraw/zinc/94/52/40/661945240.db2.gz YTMRZHIRMQYGNC-UHFFFAOYSA-N 1 0 392.277 2.791 20 0 GFADRO C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1Cc3cc(Br)ccc3O1)C2 ZINC000854734643 661952150 /nfs/dbraw/zinc/95/21/50/661952150.db2.gz ALILZLPCARUZCR-AEFFLSMTSA-N 1 0 379.298 2.697 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)c1cn(-c2ccccc2Br)nn1 ZINC000855165933 661973871 /nfs/dbraw/zinc/97/38/71/661973871.db2.gz AQTKDAJYCSHILL-GFCCVEGCSA-N 1 0 392.301 2.632 20 0 GFADRO O=C(NCCc1ccc(I)cc1)C1CC[NH+](C2CC2)CC1 ZINC000856154415 662022082 /nfs/dbraw/zinc/02/20/82/662022082.db2.gz KNXMPYHVRFAOIW-UHFFFAOYSA-N 1 0 398.288 2.824 20 0 GFADRO O=C(NCC[C@@H]1CC1(Cl)Cl)NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000856942470 662053067 /nfs/dbraw/zinc/05/30/67/662053067.db2.gz SBQTZDGWWHHLKK-HZPDHXFCSA-N 1 0 386.323 2.636 20 0 GFADRO C[N@@H+]1CCC[C@H](c2cccc(C(=O)NCC[S@](=O)CC(F)(F)F)c2)C1 ZINC000857302431 662072391 /nfs/dbraw/zinc/07/23/91/662072391.db2.gz QWZKRVFFZXEEFQ-MQNRADLISA-N 1 0 376.444 2.537 20 0 GFADRO C[NH+](C)[C@H]1CCc2cc(Br)ccc2N(C(=O)c2cccnn2)C1 ZINC000857880124 662093157 /nfs/dbraw/zinc/09/31/57/662093157.db2.gz CLBRCMVAAONFOB-AWEZNQCLSA-N 1 0 375.270 2.762 20 0 GFADRO O=C(Cc1ccccc1)OCC[N@@H+]1CCc2nccc(Br)c2C1 ZINC000857917283 662094573 /nfs/dbraw/zinc/09/45/73/662094573.db2.gz UWBUHZJFWYUUPQ-UHFFFAOYSA-N 1 0 375.266 2.988 20 0 GFADRO Cn1cc(Br)c(C(=O)N2C[C@H]([NH+](C)C)CCc3ccccc32)n1 ZINC000857924532 662094750 /nfs/dbraw/zinc/09/47/50/662094750.db2.gz CUSPLENPYBHBCK-CYBMUJFWSA-N 1 0 377.286 2.706 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)N2CCc3nccc(Br)c3C2)C1 ZINC000857964771 662095640 /nfs/dbraw/zinc/09/56/40/662095640.db2.gz NHVOAZMYPWSNJS-KRWDZBQOSA-N 1 0 384.293 2.941 20 0 GFADRO Cn1cc(CNc2ccc(C[NH+]3CCN(C)CC3)cc2)c(Br)n1 ZINC000858103872 662098931 /nfs/dbraw/zinc/09/89/31/662098931.db2.gz URJLWWXTPHDAQO-UHFFFAOYSA-N 1 0 378.318 2.542 20 0 GFADRO CNC(=O)CCC[NH2+]Cc1cc(Br)c([C@@H](C)OCOC)cc1F ZINC000858114331 662099506 /nfs/dbraw/zinc/09/95/06/662099506.db2.gz FOOVOAMBQNYSOG-LLVKDONJSA-N 1 0 391.281 2.886 20 0 GFADRO COCO[C@H](C)c1cc(F)c(C[NH2+]C[C@](C)(O)COC)cc1Br ZINC000858134509 662100300 /nfs/dbraw/zinc/10/03/00/662100300.db2.gz SEIIJLKGPUSSMY-BZNIZROVSA-N 1 0 394.281 2.757 20 0 GFADRO COCO[C@H](C)c1cc(F)c(C[NH2+]CC[S@](C)=O)cc1Br ZINC000858139866 662100925 /nfs/dbraw/zinc/10/09/25/662100925.db2.gz RVILIZNNBWKQSL-UZJPJQLHSA-N 1 0 382.295 2.738 20 0 GFADRO O=S(=O)(c1ccc(CC[NH2+]Cc2ccnc(F)c2)s1)N1CCCCC1 ZINC000858146707 662101466 /nfs/dbraw/zinc/10/14/66/662101466.db2.gz MBRXXQOZTUVOFI-UHFFFAOYSA-N 1 0 383.514 2.789 20 0 GFADRO COc1ccc(Br)cc1C[C@@H](CO)C[NH2+]Cc1ccnc(F)c1 ZINC000858173745 662102899 /nfs/dbraw/zinc/10/28/99/662102899.db2.gz IAORFTAYHPEUGI-CYBMUJFWSA-N 1 0 383.261 2.933 20 0 GFADRO CCON(CC)C(=O)C[NH2+]Cc1c[nH]nc1-c1ccc(Br)s1 ZINC000858223307 662105089 /nfs/dbraw/zinc/10/50/89/662105089.db2.gz PXIYRECJFZSDQQ-UHFFFAOYSA-N 1 0 387.303 2.790 20 0 GFADRO CON(C)C(=O)[C@H](C)[NH2+]Cc1ccc(Br)c(Br)c1 ZINC000858319786 662108078 /nfs/dbraw/zinc/10/80/78/662108078.db2.gz HATOWURBYZJAFW-QMMMGPOBSA-N 1 0 380.080 2.710 20 0 GFADRO COc1cc(C[NH2+][C@@H](C)C(=O)N(C)OC)cc(Br)c1OC(F)F ZINC000858320137 662108179 /nfs/dbraw/zinc/10/81/79/662108179.db2.gz OYEIQVGVQATBLI-QMMMGPOBSA-N 1 0 397.216 2.557 20 0 GFADRO CC(C)(C)OC(=O)NCCCOCC[NH2+][C@@H]1CC[C@H]2SCCS[C@H]12 ZINC000858532759 662114341 /nfs/dbraw/zinc/11/43/41/662114341.db2.gz MVFSXZHGGRJEOP-RBSFLKMASA-N 1 0 376.588 2.887 20 0 GFADRO COC(=O)Nc1ccc(S(=O)(=O)NCC2([NH3+])CCCCCC2)cc1Cl ZINC000858608637 662116073 /nfs/dbraw/zinc/11/60/73/662116073.db2.gz VIPPBRTXMDFOCF-UHFFFAOYSA-N 1 0 389.905 2.848 20 0 GFADRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2ccc(Cl)nc2Cl)CC[C@H]1C(F)(F)F ZINC000858622849 662116814 /nfs/dbraw/zinc/11/68/14/662116814.db2.gz AVZPIBAEIRNMLM-HTQZYQBOSA-N 1 0 392.230 2.536 20 0 GFADRO Cn1nc(Cl)c(C(=O)Nc2ccc(NC(=O)CC[NH+](C)C)cc2)c1Cl ZINC000858845276 662124774 /nfs/dbraw/zinc/12/47/74/662124774.db2.gz HIDABNBHQKKNNU-UHFFFAOYSA-N 1 0 384.267 2.869 20 0 GFADRO COC(=O)Nc1ccc(S(=O)(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1Cl ZINC000859014368 662132115 /nfs/dbraw/zinc/13/21/15/662132115.db2.gz IROFHHGRSZRZLC-VXGBXAGGSA-N 1 0 389.905 2.622 20 0 GFADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2c(Cl)nn(C)c2Cl)[C@H](C)C1 ZINC000859417366 662161391 /nfs/dbraw/zinc/16/13/91/662161391.db2.gz RGZRAXJBDJRVIS-NEPJUHHUSA-N 1 0 377.316 2.594 20 0 GFADRO C[C@H](NC(=O)c1cc(Br)c2ncc(C=O)n2c1)C(C)(C)C[NH+](C)C ZINC000859573373 662168266 /nfs/dbraw/zinc/16/82/66/662168266.db2.gz XGAQCVCJALQQLO-NSHDSACASA-N 1 0 395.301 2.615 20 0 GFADRO CC(C)[C@@H]1C[NH2+]CCN1C(=O)Nc1cc2c(cc1Br)OCCO2 ZINC000859620762 662170129 /nfs/dbraw/zinc/17/01/29/662170129.db2.gz IEUDMMPIISDRLR-ZDUSSCGKSA-N 1 0 384.274 2.682 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)N[C@@H]2CC[C@@H]3SCCS[C@@H]23)CC[C@@H]1C(F)(F)F ZINC000861615772 662251114 /nfs/dbraw/zinc/25/11/14/662251114.db2.gz WSEAPCWMXDWYHT-FHUSYTEZSA-N 1 0 383.505 2.535 20 0 GFADRO CCCOC[C@@H](Cc1cccc(Br)c1)NC(=O)N(C)C[C@@H](C)[NH3+] ZINC000861618096 662251610 /nfs/dbraw/zinc/25/16/10/662251610.db2.gz PLQTYBVPIWOUOJ-CZUORRHYSA-N 1 0 386.334 2.775 20 0 GFADRO C[C@@H]([NH3+])CN(C)C(=O)C(=O)NCC1(c2ccc(Cl)cc2Cl)CCCC1 ZINC000861745727 662257375 /nfs/dbraw/zinc/25/73/75/662257375.db2.gz VKWNGZABDHYLJX-GFCCVEGCSA-N 1 0 386.323 2.727 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1cccc(SC(F)(F)F)c1)C1CC1 ZINC000861750100 662257402 /nfs/dbraw/zinc/25/74/02/662257402.db2.gz DUKKLLCZQHTHER-ZDUSSCGKSA-N 1 0 375.416 2.693 20 0 GFADRO COCO[C@H](C)c1cc(F)c(CN2C[C@H]3[C@H](CO)[C@H]3C2)cc1Br ZINC000862374185 662283794 /nfs/dbraw/zinc/28/37/94/662283794.db2.gz JQMLVMOWZDULCV-RABLLNBGSA-N 1 0 388.277 2.940 20 0 GFADRO CCOC(=O)C1=CC[C@H]([NH2+]Cc2cc(Br)c3c(c2)OCCO3)C1 ZINC000862487691 662289074 /nfs/dbraw/zinc/28/90/74/662289074.db2.gz UTPUQXUMDLUSSC-ZDUSSCGKSA-N 1 0 382.254 2.962 20 0 GFADRO CNS(=O)(=O)C[C@@H]1CCCN(Cc2cc(C)cc(Br)c2)C1 ZINC000862551310 662291389 /nfs/dbraw/zinc/29/13/89/662291389.db2.gz MBKSDCQOPSLTHM-CYBMUJFWSA-N 1 0 375.332 2.519 20 0 GFADRO O=C(NC[C@H]1CC[N@@H+]1C1CCCC1)[C@H]1Cc2cc(Br)ccc2O1 ZINC000863033713 662308974 /nfs/dbraw/zinc/30/89/74/662308974.db2.gz XPUPYQSFVKJKSW-NVXWUHKLSA-N 1 0 379.298 2.886 20 0 GFADRO O=Cc1ccc(OCC(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)c(Br)c1 ZINC000863034471 662309091 /nfs/dbraw/zinc/30/90/91/662309091.db2.gz KPKIGRFIKZUMNX-HNNXBMFYSA-N 1 0 395.297 2.774 20 0 GFADRO CCOC(=O)NCCC(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000863038640 662309370 /nfs/dbraw/zinc/30/93/70/662309370.db2.gz XLPOHRNIQSKJGW-CQSZACIVSA-N 1 0 376.284 2.849 20 0 GFADRO Cc1ccc(CN2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)c(Br)c1 ZINC000863642218 662342052 /nfs/dbraw/zinc/34/20/52/662342052.db2.gz LCXVDHXNBCWAGY-SJORKVTESA-N 1 0 394.313 2.515 20 0 GFADRO C[NH+](C)CC[C@@](C)(O)CNC(=O)C(C)(C)[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000863908070 662349499 /nfs/dbraw/zinc/34/94/99/662349499.db2.gz MFTYNAJFGXWFBG-MAUKXSAKSA-N 1 0 391.339 2.872 20 0 GFADRO O=C(c1nc(Br)sc1Cl)N1CCN(c2cc[nH+]cc2)CC1 ZINC000864601479 662381106 /nfs/dbraw/zinc/38/11/06/662381106.db2.gz DEHMSZNXDNNRMN-UHFFFAOYSA-N 1 0 387.690 2.916 20 0 GFADRO COCC[N@@H+]1CCCN(C(=O)c2cc(F)c(Br)cc2F)CC1 ZINC000865010296 662394775 /nfs/dbraw/zinc/39/47/75/662394775.db2.gz OXPXXVBTKVZRSK-UHFFFAOYSA-N 1 0 377.229 2.522 20 0 GFADRO Cc1cc(CNC(=S)NC[C@H]2CSCC[N@@H+]2Cc2ccccc2)no1 ZINC000865236178 662407044 /nfs/dbraw/zinc/40/70/44/662407044.db2.gz LYYDNFOIKPGNBD-KRWDZBQOSA-N 1 0 376.551 2.565 20 0 GFADRO Cc1ccc(Nc2nnc(SCC(=O)NC3CC[NH+](C)CC3)s2)cc1 ZINC000865343801 662414483 /nfs/dbraw/zinc/41/44/83/662414483.db2.gz QVDWVANAXRYDQY-UHFFFAOYSA-N 1 0 377.539 2.893 20 0 GFADRO C[NH+](C)CCNC(=O)c1cccc(CNCc2c(Cl)cncc2Cl)c1 ZINC000865446278 662422038 /nfs/dbraw/zinc/42/20/38/662422038.db2.gz QTJLGAPLGRRRHS-UHFFFAOYSA-N 1 0 381.307 2.970 20 0 GFADRO COc1ncc(Br)cc1CNCC1([NH+]2CCCCC2)CCOCC1 ZINC000865458128 662422549 /nfs/dbraw/zinc/42/25/49/662422549.db2.gz DEJQJAJMMQMSSP-UHFFFAOYSA-N 1 0 398.345 2.977 20 0 GFADRO OC[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1cccnc1Br ZINC000865473149 662423798 /nfs/dbraw/zinc/42/37/98/662423798.db2.gz KTYYKQBJFZXUFG-MSOLQXFVSA-N 1 0 390.325 2.817 20 0 GFADRO COc1cc(C[C@H](CO)C[NH2+]Cc2cccnc2Br)cc(OC)c1 ZINC000865481769 662424043 /nfs/dbraw/zinc/42/40/43/662424043.db2.gz VGCLTXIAVVECRM-AWEZNQCLSA-N 1 0 395.297 2.802 20 0 GFADRO CC(C)(C)OC(=O)N1CCc2sc(C[NH2+]C[C@]3(O)CCSC3)cc2C1 ZINC000865481319 662424152 /nfs/dbraw/zinc/42/41/52/662424152.db2.gz NRJSPROBUIMWGF-GOSISDBHSA-N 1 0 384.567 2.999 20 0 GFADRO C[C@@H](Cc1ccccc1Br)[NH2+]Cc1cn(C[C@H]2CCCO2)nn1 ZINC000865492219 662424884 /nfs/dbraw/zinc/42/48/84/662424884.db2.gz PYGMLYKQAJWKQE-XJKSGUPXSA-N 1 0 379.302 2.940 20 0 GFADRO COCC[C@H](C[NH2+][C@@H]1CC[C@@H]2SCCS[C@@H]12)NC(=O)OC(C)(C)C ZINC000865512786 662425903 /nfs/dbraw/zinc/42/59/03/662425903.db2.gz DYEJIKLPALLLMX-KBXIAJHMSA-N 1 0 376.588 2.885 20 0 GFADRO Cc1ccnc(CNCc2ccnc(OCC[NH+](C)C)c2)c1Br ZINC000865515213 662426259 /nfs/dbraw/zinc/42/62/59/662426259.db2.gz ZHQNRJYVHDAPQE-UHFFFAOYSA-N 1 0 379.302 2.778 20 0 GFADRO COc1ncc(Br)cc1C[NH2+]C1CCN(c2cc(C)[nH]n2)CC1 ZINC000865539504 662427810 /nfs/dbraw/zinc/42/78/10/662427810.db2.gz UHBFPZMDHRPVMZ-UHFFFAOYSA-N 1 0 380.290 2.643 20 0 GFADRO CC(C)[C@@H]([NH2+]Cc1ccc(Cl)c(S(N)(=O)=O)c1)[C@@H](O)c1ccccc1 ZINC000865547091 662428552 /nfs/dbraw/zinc/42/85/52/662428552.db2.gz NYEMPESNSWOOGG-MSOLQXFVSA-N 1 0 382.913 2.835 20 0 GFADRO C[N@@H+]1CCC[C@@H](CNC(=O)c2cc(Br)ncc2Br)C1 ZINC000865609986 662432037 /nfs/dbraw/zinc/43/20/37/662432037.db2.gz XUMRYDOGJZNBQM-VIFPVBQESA-N 1 0 391.107 2.678 20 0 GFADRO CC(C)(O)C[N@@H+]1CC[C@H](NCc2nc(-c3ccc(Br)cc3)c[nH]2)C1 ZINC000865655461 662434542 /nfs/dbraw/zinc/43/45/42/662434542.db2.gz HBAIWBYXXRIQLF-HNNXBMFYSA-N 1 0 393.329 2.774 20 0 GFADRO NS(=O)(=O)c1cc(Br)ccc1NC1CC([NH+]2CCCCC2)C1 ZINC000865745794 662440833 /nfs/dbraw/zinc/44/08/33/662440833.db2.gz AQCOFCBZJSFZSM-UHFFFAOYSA-N 1 0 388.331 2.525 20 0 GFADRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]Cc2ccnc(Cl)c2Cl)[C@H](O)C1 ZINC000865747237 662440847 /nfs/dbraw/zinc/44/08/47/662440847.db2.gz MUNDZBQNXJGQEF-VXGBXAGGSA-N 1 0 376.284 2.848 20 0 GFADRO CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000865803035 662444338 /nfs/dbraw/zinc/44/43/38/662444338.db2.gz ZCZNPGVRHPHLDI-CYBMUJFWSA-N 1 0 386.323 2.566 20 0 GFADRO COCC[C@H](C[NH2+]Cc1ccc(Br)cn1)NC(=O)OC(C)(C)C ZINC000865810651 662444882 /nfs/dbraw/zinc/44/48/82/662444882.db2.gz SQERMKPJPOFIED-CQSZACIVSA-N 1 0 388.306 2.864 20 0 GFADRO Brc1ccc2c(c1)[C@H]1[C@H]([NH2+]Cc3cn(Cc4cccnc4)nn3)[C@H]1C2 ZINC000865835371 662446500 /nfs/dbraw/zinc/44/65/00/662446500.db2.gz XPOQHJQOJDPKDL-IPMKNSEASA-N 1 0 396.292 2.912 20 0 GFADRO C[NH+](C)C1CCN(CCNC(=O)/C=C\c2ccsc2C(F)(F)F)CC1 ZINC000866352390 662468987 /nfs/dbraw/zinc/46/89/87/662468987.db2.gz JGOHPKSCNUVTSM-ARJAWSKDSA-N 1 0 375.460 2.922 20 0 GFADRO CC(=O)N[C@H](C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1)c1cccc(Br)c1 ZINC000866367439 662469109 /nfs/dbraw/zinc/46/91/09/662469109.db2.gz YISYULSSBPZKCD-IKGGRYGDSA-N 1 0 396.329 2.615 20 0 GFADRO C[C@H]([NH2+]C[C@@]12COC(=O)N1CCOC2)c1ccc(Br)c(Cl)c1 ZINC000866523915 662478863 /nfs/dbraw/zinc/47/88/63/662478863.db2.gz WXSSMYIEHXGQLU-ZUZCIYMTSA-N 1 0 389.677 2.974 20 0 GFADRO COc1ccc(C[C@@H](C)[NH2+]Cc2c(I)cnn2C)cc1 ZINC000866629424 662485094 /nfs/dbraw/zinc/48/50/94/662485094.db2.gz FVMJWKRXWFKLTK-LLVKDONJSA-N 1 0 385.249 2.754 20 0 GFADRO CC(C)(C)[C@]1(C[NH3+])CCN([C@@H](C(N)=O)c2ccc(Br)cc2F)C1 ZINC000866708168 662490840 /nfs/dbraw/zinc/49/08/40/662490840.db2.gz YAFJAKKTBZQDSD-PBHICJAKSA-N 1 0 386.309 2.812 20 0 GFADRO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCN(S(=O)(=O)Cc3ccc(F)cc3Cl)C2)C1 ZINC000866775266 662497228 /nfs/dbraw/zinc/49/72/28/662497228.db2.gz YXHQUWAXQFHJQU-XGWLTEMNSA-N 1 0 390.908 2.527 20 0 GFADRO Cc1ccc(Br)c(CS(=O)(=O)N[C@@H]2CC[NH2+]C3(CCC3)C2)c1 ZINC000866776715 662497556 /nfs/dbraw/zinc/49/75/56/662497556.db2.gz BFJVUZFBCFGREY-CQSZACIVSA-N 1 0 387.343 2.852 20 0 GFADRO O=C(NCCCC[N@H+]1CCC[C@@H]1CO)c1nc(Br)sc1Cl ZINC000866786212 662498416 /nfs/dbraw/zinc/49/84/16/662498416.db2.gz OYVIMTTYPIYWMX-SECBINFHSA-N 1 0 396.738 2.526 20 0 GFADRO [NH3+]CC12CCC(CC1)N2S(=O)(=O)c1cc(Br)sc1Cl ZINC000866794714 662499199 /nfs/dbraw/zinc/49/91/99/662499199.db2.gz OWZKHOVOEIQWLR-UHFFFAOYSA-N 1 0 385.736 2.808 20 0 GFADRO COC(=O)c1cc(S(=O)(=O)N2CC[NH2+]CCC2(C)C)c(Cl)cc1Cl ZINC000866804284 662500083 /nfs/dbraw/zinc/50/00/83/662500083.db2.gz UUBIMFSMLNBTRL-UHFFFAOYSA-N 1 0 395.308 2.543 20 0 GFADRO COc1ccc2nc(Cl)ccc2c1S(=O)(=O)N1CC[NH2+]CCC1(C)C ZINC000866804297 662500091 /nfs/dbraw/zinc/50/00/91/662500091.db2.gz VITMDNQDMHLAOG-UHFFFAOYSA-N 1 0 383.901 2.659 20 0 GFADRO C[C@@H](NS(=O)(=O)c1cc(Cl)ccc1Br)C1CC[NH2+]CC1 ZINC000866811401 662500862 /nfs/dbraw/zinc/50/08/62/662500862.db2.gz VCFJHJKJFDBEMB-SECBINFHSA-N 1 0 381.723 2.769 20 0 GFADRO O=S(=O)(c1ccc(C(F)(F)C(F)(F)F)cc1)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000866822448 662502068 /nfs/dbraw/zinc/50/20/68/662502068.db2.gz FWRZJIDIMNVYJO-OLZOCXBDSA-N 1 0 384.370 2.856 20 0 GFADRO O=S(=O)(c1ccc(C(F)(F)C(F)(F)F)cc1)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000866822447 662502094 /nfs/dbraw/zinc/50/20/94/662502094.db2.gz FWRZJIDIMNVYJO-CHWSQXEVSA-N 1 0 384.370 2.856 20 0 GFADRO O=S(=O)(c1cc(Br)ccc1Cl)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000866827626 662502336 /nfs/dbraw/zinc/50/23/36/662502336.db2.gz QBMSKTMZVWUUKT-NEPJUHHUSA-N 1 0 379.707 2.618 20 0 GFADRO C[NH+](C)CCCS(=O)(=O)N(Cc1ccccc1)C[C@@H](O)c1ccsc1 ZINC000866950825 662511088 /nfs/dbraw/zinc/51/10/88/662511088.db2.gz PAZWLTIUHXYWCR-GOSISDBHSA-N 1 0 382.551 2.565 20 0 GFADRO C[N@@H+]1CCCC12CCN(C(=O)c1cc(Br)cn3ccnc13)CC2 ZINC000867193072 662529770 /nfs/dbraw/zinc/52/97/70/662529770.db2.gz GLONZCKWBIWDHQ-UHFFFAOYSA-N 1 0 377.286 2.797 20 0 GFADRO COC(=O)c1scc(C)c1S(=O)(=O)NCCC1CC[NH+](C(C)C)CC1 ZINC000867652681 662565756 /nfs/dbraw/zinc/56/57/56/662565756.db2.gz JGOLOGFRXYARFG-UHFFFAOYSA-N 1 0 388.555 2.632 20 0 GFADRO C[C@@]1([NH3+])CCN(C(=O)c2cc(I)cc(C(F)(F)F)c2)C1 ZINC000868076294 662593751 /nfs/dbraw/zinc/59/37/51/662593751.db2.gz VOCYOQIPSOFPOL-GFCCVEGCSA-N 1 0 398.166 2.873 20 0 GFADRO [NH3+][C@@H](C(=O)NC[C@H]1OCCc2ccccc21)c1cccc(Br)c1 ZINC000867927749 662587744 /nfs/dbraw/zinc/58/77/44/662587744.db2.gz NCDLJRMJNJBOQE-IAGOWNOFSA-N 1 0 375.266 2.879 20 0 GFADRO CCOC(=O)Cc1csc(NC(=O)[C@@H]([NH3+])c2cccc(Br)c2)n1 ZINC000867943530 662588516 /nfs/dbraw/zinc/58/85/16/662588516.db2.gz YDULYQVOIXQBCR-ZDUSSCGKSA-N 1 0 398.282 2.650 20 0 GFADRO COCCC1(NC(=O)[C@@H]2CCOc3ccc(Br)cc32)CC[NH2+]CC1 ZINC000868043738 662592395 /nfs/dbraw/zinc/59/23/95/662592395.db2.gz SIMFBEURWBYTES-CQSZACIVSA-N 1 0 397.313 2.590 20 0 GFADRO [NH3+][C@H]1C[C@@H](CNC(=O)Nc2ccc(CCn3cc(Br)cn3)cc2)C1 ZINC000868129165 662595293 /nfs/dbraw/zinc/59/52/93/662595293.db2.gz QIQJDBBHGBXBPV-OTVXOJSOSA-N 1 0 392.301 2.747 20 0 GFADRO COCCOc1ccc(Br)cc1NC(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000868143960 662596016 /nfs/dbraw/zinc/59/60/16/662596016.db2.gz BYTXKANHITYEBV-HIFRSBDPSA-N 1 0 398.301 2.833 20 0 GFADRO COC(=O)c1cc(NC(=O)N2CCC[C@H]3[NH2+]CC[C@@H]32)c(C)cc1Br ZINC000868158161 662596999 /nfs/dbraw/zinc/59/69/99/662596999.db2.gz JCLCGVUFQXRLEF-HIFRSBDPSA-N 1 0 396.285 2.902 20 0 GFADRO O=C(Nc1ccn(-c2ccc(Br)cc2)n1)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000868160846 662597137 /nfs/dbraw/zinc/59/71/37/662597137.db2.gz WHBBSOZUVAKUMJ-HUUCEWRRSA-N 1 0 390.285 2.993 20 0 GFADRO O=C(NCc1ccc(Br)cn1)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000868169894 662597670 /nfs/dbraw/zinc/59/76/70/662597670.db2.gz DEOPHOBYMXITGC-MRXNPFEDSA-N 1 0 391.269 2.827 20 0 GFADRO [NH3+][C@@H]1C[C@H]1c1ccc(NC(=O)C(=O)NCc2ccsc2Br)cc1 ZINC000868240686 662599300 /nfs/dbraw/zinc/59/93/00/662599300.db2.gz FUGRLODHAWPWOX-QWHCGFSZSA-N 1 0 394.294 2.580 20 0 GFADRO C[C@@H](CNC(=O)NCc1ncc(Br)s1)[N@@H+]1CCC[C@@H](C)C1 ZINC000868238105 662599301 /nfs/dbraw/zinc/59/93/01/662599301.db2.gz PMYHOMFSGVHIGH-MNOVXSKESA-N 1 0 375.336 2.825 20 0 GFADRO [NH3+]CC12CCC(CC1)N2C(=O)C(=O)Nc1ccc(Br)c(Cl)c1 ZINC000868288550 662600540 /nfs/dbraw/zinc/60/05/40/662600540.db2.gz HOYQLIDJJGAQNO-UHFFFAOYSA-N 1 0 386.677 2.523 20 0 GFADRO COc1cc(Br)ccc1CNC(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000868518646 662607884 /nfs/dbraw/zinc/60/78/84/662607884.db2.gz RPVSLMOQJDAOEC-UKRRQHHQSA-N 1 0 382.302 2.693 20 0 GFADRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)/C(C)=C/c3ccc(Br)o3)[C@H]2C1 ZINC000868569372 662610125 /nfs/dbraw/zinc/61/01/25/662610125.db2.gz HFVFQPZXQXETMP-LNKCYATRSA-N 1 0 383.286 2.767 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(C(=O)NCc3cc(F)c(F)cc3Br)CC[C@@H]21 ZINC000868601266 662611544 /nfs/dbraw/zinc/61/15/44/662611544.db2.gz BUICBLVTKCUKKV-BMIGLBTASA-N 1 0 388.256 2.963 20 0 GFADRO CSC1(CNC(=O)NCc2ncc(Br)s2)CC[NH+](C)CC1 ZINC000868627813 662612568 /nfs/dbraw/zinc/61/25/68/662612568.db2.gz ZAXXHQLKTKCEJP-UHFFFAOYSA-N 1 0 393.376 2.532 20 0 GFADRO O=C(NCc1ccc(Br)cn1)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000869122381 662630710 /nfs/dbraw/zinc/63/07/10/662630710.db2.gz UQVUGVMYDWFULI-AWEZNQCLSA-N 1 0 381.318 2.765 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(C(=O)N[C@@H]3[C@@H]4Cc5ccc(Br)cc5[C@@H]43)CC[C@@H]21 ZINC000869174698 662633577 /nfs/dbraw/zinc/63/35/77/662633577.db2.gz ZKCGFEANSWGJIH-UWLPGLTFSA-N 1 0 390.325 2.823 20 0 GFADRO C[NH+](C)C[C@@H](NC(=O)/C=C\CN1CCOCC1)c1ccc(Cl)c(Cl)c1 ZINC000869447295 662647186 /nfs/dbraw/zinc/64/71/86/662647186.db2.gz MVEDIKRVGGSPNN-CWIOURORSA-N 1 0 386.323 2.601 20 0 GFADRO CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)Cc2ccc(Cl)cc2Br)C1 ZINC000869780209 662661558 /nfs/dbraw/zinc/66/15/58/662661558.db2.gz FDRAUKRYIYYVHS-ZDUSSCGKSA-N 1 0 389.721 2.606 20 0 GFADRO CC(C)[N@@H+]1CCO[C@@H](COC(=O)Cc2csc(CCC(F)(F)F)n2)C1 ZINC000870282635 662682399 /nfs/dbraw/zinc/68/23/99/662682399.db2.gz CESXOLSWDJEGIU-CYBMUJFWSA-N 1 0 380.432 2.833 20 0 GFADRO CC(=O)N[C@@H](C(=O)OCC[C@@H]1CC[N@@H+](C)C1)c1cccc(Br)c1 ZINC000870458347 662691020 /nfs/dbraw/zinc/69/10/20/662691020.db2.gz SDPWWOATQDATHL-XJKSGUPXSA-N 1 0 383.286 2.511 20 0 GFADRO CCOC(=O)c1nc(NC(=O)C2CC[NH+]([C@H]3CCSC3)CC2)sc1C ZINC000870782132 662701373 /nfs/dbraw/zinc/70/13/73/662701373.db2.gz XETJJCRQKICIAT-ZDUSSCGKSA-N 1 0 383.539 2.784 20 0 GFADRO C[C@H](C[C@H]1CCCC[N@@H+]1C)OC(=O)c1nccn2c(Br)cnc12 ZINC000870786648 662701725 /nfs/dbraw/zinc/70/17/25/662701725.db2.gz YICRWSYAZLZVEB-VXGBXAGGSA-N 1 0 381.274 2.912 20 0 GFADRO COC(=O)C[C@H](NC(=O)CCC12CC(C1)C[NH2+]2)c1ccc(Br)cc1 ZINC000870862175 662703766 /nfs/dbraw/zinc/70/37/66/662703766.db2.gz JUPBINKMWJJZNX-KVIBHRHWSA-N 1 0 395.297 2.702 20 0 GFADRO [NH3+][C@@H](C(=O)NC1CCN(CC(F)(F)F)CC1)c1cccc(Br)c1 ZINC000870878003 662704338 /nfs/dbraw/zinc/70/43/38/662704338.db2.gz XUCPJKHRGADXBR-CYBMUJFWSA-N 1 0 394.235 2.592 20 0 GFADRO CO[C@@H](C)c1nc(CNC(=O)[C@H]([NH3+])c2cccc(Br)c2)cs1 ZINC000870901982 662707368 /nfs/dbraw/zinc/70/73/68/662707368.db2.gz JNRZBFQQCJXPRC-TVQRCGJNSA-N 1 0 384.299 2.929 20 0 GFADRO O=C([C@@H]1[C@@H]2Cc3ccc(Br)cc3[C@@H]21)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000870913929 662707872 /nfs/dbraw/zinc/70/78/72/662707872.db2.gz HWASKOFNRJBUAY-SFNKJDCFSA-N 1 0 375.310 2.937 20 0 GFADRO COc1cc(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)cc(Br)c1OC ZINC000870972980 662711845 /nfs/dbraw/zinc/71/18/45/662711845.db2.gz FDQMYZQADRHMGQ-LMKPVCQUSA-N 1 0 383.286 2.727 20 0 GFADRO Cn1nc2cc(Br)ccc2c1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000870973096 662711914 /nfs/dbraw/zinc/71/19/14/662711914.db2.gz JBHYZPNOPYZZGR-LMKPVCQUSA-N 1 0 377.286 2.596 20 0 GFADRO CCS(=O)(=O)c1ccc(Cl)c(C(=O)N2CC[C@](C[NH3+])(C(C)(C)C)C2)c1 ZINC000870992251 662712405 /nfs/dbraw/zinc/71/24/05/662712405.db2.gz OFSDELJRIOHQOR-GOSISDBHSA-N 1 0 386.945 2.971 20 0 GFADRO CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)c2cc(Br)cn3ccnc23)C1 ZINC000870988150 662712469 /nfs/dbraw/zinc/71/24/69/662712469.db2.gz GTQRGEARAHZUFK-KRWDZBQOSA-N 1 0 379.302 2.934 20 0 GFADRO Cn1c(-c2ccccc2Br)nnc1N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000871048268 662714278 /nfs/dbraw/zinc/71/42/78/662714278.db2.gz MZQDXOKOWAHPGQ-IUODEOHRSA-N 1 0 376.302 2.775 20 0 GFADRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2ccc3nc(Cl)sc3c2)C[C@@H]1C(F)(F)F ZINC000871814751 662735451 /nfs/dbraw/zinc/73/54/51/662735451.db2.gz XROUPNYYTGZLKU-APPZFPTMSA-N 1 0 399.847 2.707 20 0 GFADRO CC(C)(C)[S@](C)(=O)=NS(=O)(=O)N1CCC[C@@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000871822864 662736121 /nfs/dbraw/zinc/73/61/21/662736121.db2.gz ODPUNCIRKMLNQJ-ZYXJOJAPSA-N 1 0 393.619 2.747 20 0 GFADRO C[C@@H]([NH2+][C@@H](C)c1ccnn1C)C(=O)N(C)Cc1ccc(Br)cc1 ZINC000871926959 662742875 /nfs/dbraw/zinc/74/28/75/662742875.db2.gz LSRJGQYRFADJCI-QWHCGFSZSA-N 1 0 379.302 2.880 20 0 GFADRO Cc1ccc(NC(=O)[C@@H](C)Nc2cc3n(n2)CC[N@H+](C)C3)c(Br)c1 ZINC000871929428 662743123 /nfs/dbraw/zinc/74/31/23/662743123.db2.gz YMDAGVQHKISJBJ-GFCCVEGCSA-N 1 0 392.301 2.839 20 0 GFADRO Cc1nc(C[NH2+]C2CCN(S(=O)(=O)Cc3ccccc3)CC2)sc1C ZINC000871958452 662746558 /nfs/dbraw/zinc/74/65/58/662746558.db2.gz GEHOLDASJBKADU-UHFFFAOYSA-N 1 0 379.551 2.844 20 0 GFADRO CC(C)(O)C[C@@H](O)C[NH+]1CCC(C(=O)Nc2cccc(Br)c2)CC1 ZINC000871976197 662748275 /nfs/dbraw/zinc/74/82/75/662748275.db2.gz GRHUOIYTCIAVGO-MRXNPFEDSA-N 1 0 399.329 2.622 20 0 GFADRO CCOC(=O)[C@@H](C)C1C[NH+](C[C@@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000871993227 662750063 /nfs/dbraw/zinc/75/00/63/662750063.db2.gz NCIFYOBALIIKHZ-SMDDNHRTSA-N 1 0 376.280 2.864 20 0 GFADRO CCS(=O)(=O)CC[NH2+][C@@H](c1cccc(Br)c1)[C@H]1CCOC1 ZINC000872030756 662754336 /nfs/dbraw/zinc/75/43/36/662754336.db2.gz BWJGHITWUQJRNM-ZFWWWQNUSA-N 1 0 376.316 2.551 20 0 GFADRO Cn1ncc(I)c1C[NH2+][C@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000872092486 662755740 /nfs/dbraw/zinc/75/57/40/662755740.db2.gz CGXFBYPYNXYDKX-GXFFZTMASA-N 1 0 377.270 2.708 20 0 GFADRO Cc1cc(C)c(S(N)(=O)=O)cc1[C@@H](C)[NH2+]CCOC(F)(F)C(F)(F)F ZINC000872110707 662756010 /nfs/dbraw/zinc/75/60/10/662756010.db2.gz NVJOVHNRUCMVOX-SNVBAGLBSA-N 1 0 390.374 2.773 20 0 GFADRO CN(Cc1c(F)cccc1Cl)C(=O)CN1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000872147470 662756458 /nfs/dbraw/zinc/75/64/58/662756458.db2.gz ISAKYXXYFQKVOE-PWSUYJOCSA-N 1 0 381.801 2.507 20 0 GFADRO O=S(=O)(CC[NH2+]CC[C@H]1CCSC1)c1cccc(Br)c1 ZINC000872217099 662758156 /nfs/dbraw/zinc/75/81/56/662758156.db2.gz NDXHDVHZVUUXOU-LBPRGKRZSA-N 1 0 378.357 2.956 20 0 GFADRO O=C(CC[NH2+]C[C@H]1CC2(CO1)CCOCC2)Nc1ccc(Br)cc1 ZINC000872230673 662758394 /nfs/dbraw/zinc/75/83/94/662758394.db2.gz HGKJDUQDVOVUDT-MRXNPFEDSA-N 1 0 397.313 2.953 20 0 GFADRO O[C@H](C[NH2+]C[C@H]1CC2(CO1)CCOCC2)COc1ccc(Cl)c(Cl)c1 ZINC000872231692 662758556 /nfs/dbraw/zinc/75/85/56/662758556.db2.gz RHGYGPFBAJMJHS-UKRRQHHQSA-N 1 0 390.307 2.908 20 0 GFADRO O=S(=O)(CC[NH2+][C@@H]1C[C@H]1C1CCOCC1)c1cccc(Br)c1 ZINC000872239068 662758824 /nfs/dbraw/zinc/75/88/24/662758824.db2.gz CLRUKFYIBXYGRE-JKSUJKDBSA-N 1 0 388.327 2.628 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(S(=O)(=O)N=[S@](C)(=O)C(C)(C)C)C1 ZINC000872449871 662767841 /nfs/dbraw/zinc/76/78/41/662767841.db2.gz UDIDTBYXRUPDPF-DQIAKBPPSA-N 1 0 393.619 2.714 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)C(=O)Nc2cc(Cl)ccc2Cl)C[C@@H]1C(F)(F)F ZINC000873104388 662799772 /nfs/dbraw/zinc/79/97/72/662799772.db2.gz MNADZWBHCOKFMD-CBAPKCEASA-N 1 0 384.185 2.528 20 0 GFADRO COC(=O)c1c(C)c(C)sc1NC(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000873308452 662805102 /nfs/dbraw/zinc/80/51/02/662805102.db2.gz WFAAXMUZEIYCSL-ZJUUUORDSA-N 1 0 379.404 2.752 20 0 GFADRO O=C(NC[C@H]1CC2(CO1)CC[NH2+]CC2)Nc1ccc(Br)c(F)c1 ZINC000873309825 662805151 /nfs/dbraw/zinc/80/51/51/662805151.db2.gz FXPPYFQRUNBXLH-GFCCVEGCSA-N 1 0 386.265 2.868 20 0 GFADRO COc1cc(NC(=O)N[C@@]23CCC[C@@H]2[NH2+]CC3)cc(OC)c1Br ZINC000873315211 662805309 /nfs/dbraw/zinc/80/53/09/662805309.db2.gz OUKKMAQJTXJNFP-XJKSGUPXSA-N 1 0 384.274 2.872 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)Nc2nc(C3CCOCC3)cs2)C[C@@H]1C(F)(F)F ZINC000873323850 662805485 /nfs/dbraw/zinc/80/54/85/662805485.db2.gz IDHJGNMTUHXEHT-QWRGUYRKSA-N 1 0 378.420 2.638 20 0 GFADRO CCc1ccc(Br)c(NC(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000873732139 662812762 /nfs/dbraw/zinc/81/27/62/662812762.db2.gz JPCFHANZEPNLLO-DGCLKSJQSA-N 1 0 382.302 2.549 20 0 GFADRO CC(C)[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2C ZINC000874830667 662837764 /nfs/dbraw/zinc/83/77/64/662837764.db2.gz VGPHFTRICNRWBA-WOSRLPQWSA-N 1 0 383.945 2.851 20 0 GFADRO C[N@@H+]1CCC[C@H]2[C@H]1CCN2C(=O)c1cnnn1-c1c(Cl)cccc1Cl ZINC000874831434 662837844 /nfs/dbraw/zinc/83/78/44/662837844.db2.gz XYFOLVSQKMRPEQ-KGLIPLIRSA-N 1 0 380.279 2.883 20 0 GFADRO CC(C)[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2C ZINC000874830668 662837858 /nfs/dbraw/zinc/83/78/58/662837858.db2.gz VGPHFTRICNRWBA-XJKCOSOUSA-N 1 0 383.945 2.851 20 0 GFADRO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)C[C@H]1Sc2ccc(Cl)cc2NC1=O ZINC000874847774 662838369 /nfs/dbraw/zinc/83/83/69/662838369.db2.gz QSMQHCBQRCXQCZ-SQWLQELKSA-N 1 0 379.913 2.838 20 0 GFADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@H]2C(=O)Oc2ccc(F)c(Br)c2)cn1 ZINC000875529226 662847369 /nfs/dbraw/zinc/84/73/69/662847369.db2.gz YBWVULPBHSSEKU-KGLIPLIRSA-N 1 0 396.260 2.963 20 0 GFADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@H]2C(=O)OCc2ccc(Br)cc2)cn1 ZINC000875753371 662851263 /nfs/dbraw/zinc/85/12/63/662851263.db2.gz VNIINXWEZRRTPY-SJORKVTESA-N 1 0 392.297 2.961 20 0 GFADRO Cc1c(Br)ccnc1NC(=O)[C@@H]1CC[N@@H+](C)C[C@H]1c1cnn(C)c1 ZINC000875791776 662852129 /nfs/dbraw/zinc/85/21/29/662852129.db2.gz PBVDFYPFGPSRDO-KGLIPLIRSA-N 1 0 392.301 2.560 20 0 GFADRO CCC[NH+]1CCC(N(C)C(=O)NCc2ncc(Br)s2)CC1 ZINC000876286893 662859071 /nfs/dbraw/zinc/85/90/71/662859071.db2.gz ZSPCNAXXICUFIH-UHFFFAOYSA-N 1 0 375.336 2.921 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CN(C(=O)c2cnc(-c3ccccc3Br)s2)CCO1 ZINC000876543126 662862579 /nfs/dbraw/zinc/86/25/79/662862579.db2.gz GDHLDUPHQQGLCO-MFKMUULPSA-N 1 0 396.310 2.761 20 0 GFADRO [NH3+][C@@H](C(=O)N[C@@H]1CCCc2[nH]c(=O)ccc21)c1cccc(Br)c1 ZINC000876573089 662862894 /nfs/dbraw/zinc/86/28/94/662862894.db2.gz UZBBRZKHXJYQJV-GDBMZVCRSA-N 1 0 376.254 2.743 20 0 GFADRO Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)NCc1cc(F)ccc1Br ZINC000876579749 662863045 /nfs/dbraw/zinc/86/30/45/662863045.db2.gz ZGQJTEHZQPXVPN-CQSZACIVSA-N 1 0 395.276 2.948 20 0 GFADRO COc1cccc(C[C@H]([NH3+])C(=O)NC[C@@H](O)c2ccc(Cl)cc2Cl)c1 ZINC000876657557 662864498 /nfs/dbraw/zinc/86/44/98/662864498.db2.gz HRNMNGPMRBNCHA-DLBZAZTESA-N 1 0 383.275 2.722 20 0 GFADRO O=C(Nc1nccn1Cc1ccc(Br)cc1)[C@@H](F)[C@H]1CC[NH2+]C1 ZINC000876705357 662865080 /nfs/dbraw/zinc/86/50/80/662865080.db2.gz YQVWNNOAUATBSJ-JSGCOSHPSA-N 1 0 381.249 2.580 20 0 GFADRO O=C([C@@H]1[C@@H]2Cc3cc(Br)ccc3[C@@H]21)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000876842008 662867204 /nfs/dbraw/zinc/86/72/04/662867204.db2.gz WQLQOJBRQCAVQD-NTDBWNAOSA-N 1 0 375.310 2.937 20 0 GFADRO COCCOc1ccc(Br)cc1NC(=O)/C=C/[C@H]1CCC[NH2+]C1 ZINC000876877145 662867623 /nfs/dbraw/zinc/86/76/23/662867623.db2.gz OEMMOFOLBLJYDN-WXJAXGNASA-N 1 0 383.286 2.969 20 0 GFADRO CCO[P@@](C)(=O)CC[C@H](C)[NH2+]Cc1ccccc1S(=O)(=O)N(C)C ZINC000876921338 662868121 /nfs/dbraw/zinc/86/81/21/662868121.db2.gz CLAUOCAHRWXQDE-LFVRLGFBSA-N 1 0 376.459 2.750 20 0 GFADRO CN(C)C(=O)[C@H]1CCCN1CCC[NH2+]Cc1cc2nc(Cl)ccc2s1 ZINC000876996437 662869476 /nfs/dbraw/zinc/86/94/76/662869476.db2.gz VFQKBGWWUFHRRS-OAHLLOKOSA-N 1 0 380.945 2.982 20 0 GFADRO O=C([C@@H](O)c1cc(Cl)cc(Cl)c1)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000877115374 662871291 /nfs/dbraw/zinc/87/12/91/662871291.db2.gz DIARRJKNGOMNCC-SJORKVTESA-N 1 0 387.307 2.644 20 0 GFADRO O=C(NCc1ncc(Br)s1)C1(c2ccccc2)CC[NH2+]CC1 ZINC000877266341 662872772 /nfs/dbraw/zinc/87/27/72/662872772.db2.gz PKGAMXJFWWDBGH-UHFFFAOYSA-N 1 0 380.311 2.843 20 0 GFADRO [NH3+]C[C@@H]1OCC[C@@H]1C(=O)Nc1ccc(Br)c(Br)c1 ZINC000877267622 662872819 /nfs/dbraw/zinc/87/28/19/662872819.db2.gz ZGVGWPQFWFOOIK-KWQFWETISA-N 1 0 378.064 2.514 20 0 GFADRO Cc1csc(C(=O)N2CCC[C@H]3[NH2+]CC[C@@H]32)c1I ZINC000877276797 662872896 /nfs/dbraw/zinc/87/28/96/662872896.db2.gz IOLNACKHXVBVEM-ZJUUUORDSA-N 1 0 376.263 2.628 20 0 GFADRO COc1ccc(Br)cc1C(=O)CCC(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000877286506 662873239 /nfs/dbraw/zinc/87/32/39/662873239.db2.gz FFJNDVYVLGEXRY-LSDHHAIUSA-N 1 0 395.297 2.774 20 0 GFADRO Cc1nc(C2CC[NH2+]CC2)sc1C(=O)NCCOC(F)(F)C(F)(F)F ZINC000877311985 662873393 /nfs/dbraw/zinc/87/33/93/662873393.db2.gz BEDJUKPQNQDZCH-UHFFFAOYSA-N 1 0 387.374 2.820 20 0 GFADRO O=C(NC[C@@H]1Cc2ccccc2C[NH2+]1)c1cc2c(cc1Br)OCO2 ZINC000877340215 662873994 /nfs/dbraw/zinc/87/39/94/662873994.db2.gz KKSMBGAPYGVBRZ-ZDUSSCGKSA-N 1 0 389.249 2.622 20 0 GFADRO COc1ccc(SC)c(OC)c1C(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000877360073 662874552 /nfs/dbraw/zinc/87/45/52/662874552.db2.gz VXMPSALNZVCPDI-UWVGGRQHSA-N 1 0 378.416 2.635 20 0 GFADRO CCCOc1c(Br)cc(C(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)cc1OC ZINC000877378175 662875022 /nfs/dbraw/zinc/87/50/22/662875022.db2.gz CHLGGKFPZQFPSJ-SCLBCKFNSA-N 1 0 397.313 2.928 20 0 GFADRO [NH3+][C@@H](C(=O)N1CCO[C@@H](C(F)(F)F)CC1)c1cccc(Br)c1 ZINC000877383214 662875189 /nfs/dbraw/zinc/87/51/89/662875189.db2.gz XBRUPHGUJQUJBV-VXGBXAGGSA-N 1 0 381.192 2.629 20 0 GFADRO O=C(N[C@]12CCC[C@@H]1[NH2+]CC2)C1CCN(C(=O)c2ccc(Cl)s2)CC1 ZINC000877392813 662875366 /nfs/dbraw/zinc/87/53/66/662875366.db2.gz NWSPPPZTVHUEPE-KSSFIOAISA-N 1 0 381.929 2.655 20 0 GFADRO O=C(N[C@]12CCC[C@@H]1[NH2+]CC2)[C@H]1CCN(c2cc(Cl)ccc2Cl)C1=O ZINC000877393065 662875382 /nfs/dbraw/zinc/87/53/82/662875382.db2.gz OSCWRYXQUNSIKK-MRAWALMUSA-N 1 0 382.291 2.747 20 0 GFADRO O=C(N[C@]12CCC[C@@H]1[NH2+]CC2)c1ccc(-n2cc(Br)cn2)cc1 ZINC000877394272 662875397 /nfs/dbraw/zinc/87/53/97/662875397.db2.gz CVEVGJNIFJUDSP-RDJZCZTQSA-N 1 0 375.270 2.649 20 0 GFADRO CN(C)c1noc(CN[C@H]2CCN(C)[C@H](c3ccc(Br)cc3)C2)n1 ZINC000877411379 662875630 /nfs/dbraw/zinc/87/56/30/662875630.db2.gz NGFDBIAYMXSYFP-GJZGRUSLSA-N 1 0 394.317 2.823 20 0 GFADRO CS(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H]2CCCCC23CC[NH2+]CC3)c1 ZINC000877405601 662875639 /nfs/dbraw/zinc/87/56/39/662875639.db2.gz KCLDZZNSRGILDQ-MRXNPFEDSA-N 1 0 384.929 2.786 20 0 GFADRO O=S(=O)(NCC[NH2+]C[C@H]1CC1(Cl)Cl)c1ccc(F)cc1Cl ZINC000877503336 662877349 /nfs/dbraw/zinc/87/73/49/662877349.db2.gz JEJPRTABVKLYKO-MRVPVSSYSA-N 1 0 375.680 2.541 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+]CC[C@@H](O)c2ccc(Cl)c(Cl)c2)cc1 ZINC000877529262 662878246 /nfs/dbraw/zinc/87/82/46/662878246.db2.gz XPUSZMADUYYIPJ-MRXNPFEDSA-N 1 0 389.304 2.854 20 0 GFADRO C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)[NH2+]Cc1cnn2cc(Br)cnc12 ZINC000877561236 662878901 /nfs/dbraw/zinc/87/89/01/662878901.db2.gz JZLMYFVCLVAMPD-WDEREUQCSA-N 1 0 398.305 2.883 20 0 GFADRO Cn1ncc2cc(C[N@H+](C)C[C@@H](O)c3cccc(Br)c3)cnc21 ZINC000877588827 662879460 /nfs/dbraw/zinc/87/94/60/662879460.db2.gz ZPLICRBCAPKVTF-MRXNPFEDSA-N 1 0 375.270 2.896 20 0 GFADRO CCOC(=O)c1cc(C[NH2+][C@](C)(CO)Cc2ccc(Br)cc2)on1 ZINC000877697069 662882110 /nfs/dbraw/zinc/88/21/10/662882110.db2.gz HEOGYPQNBZSRCW-KRWDZBQOSA-N 1 0 397.269 2.697 20 0 GFADRO CC(C)c1nn(-c2ccc(Br)cc2)cc1C[N@@H+]1CC[C@@H](O)[C@@H](O)C1 ZINC000877748848 662882943 /nfs/dbraw/zinc/88/29/43/662882943.db2.gz CEZCDLZDIHZKMZ-SJORKVTESA-N 1 0 394.313 2.686 20 0 GFADRO O=C([C@H]1CCC[N@@H+](C[C@@H](O)c2ccc(Cl)c(Cl)c2)C1)N1CCOCC1 ZINC000877928037 662886196 /nfs/dbraw/zinc/88/61/96/662886196.db2.gz KXQFBNQMYMXBBW-WMLDXEAASA-N 1 0 387.307 2.598 20 0 GFADRO O[C@@H](C[NH+]1CCC(n2cc(Br)cn2)CC1)CC1(O)CCCCC1 ZINC000878092612 662889737 /nfs/dbraw/zinc/88/97/37/662889737.db2.gz WCEVVGLHUFXMCW-MRXNPFEDSA-N 1 0 386.334 2.729 20 0 GFADRO Cn1ncc(Br)c1CC(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000878226027 662892042 /nfs/dbraw/zinc/89/20/42/662892042.db2.gz PWNXBRBDGLKSJO-UHFFFAOYSA-N 1 0 397.361 2.840 20 0 GFADRO C[N@H+](C[C@H](O)C[C@H](O)c1ccccc1)[C@H](CO)c1cccc(Br)c1 ZINC000878328089 662893949 /nfs/dbraw/zinc/89/39/49/662893949.db2.gz AIUFOYPDUTYTOC-QRVBRYPASA-N 1 0 394.309 2.899 20 0 GFADRO O[C@H](C[NH2+][C@@H](c1ccc2c(c1)OCCO2)C1CC1)c1cc(Br)no1 ZINC000878373750 662894740 /nfs/dbraw/zinc/89/47/40/662894740.db2.gz BRPMCIGPJHABMP-SJKOYZFVSA-N 1 0 395.253 2.983 20 0 GFADRO NC(=O)c1ccc(CC[NH2+][C@H](CCO)c2ccccc2Br)cc1 ZINC000878396708 662895355 /nfs/dbraw/zinc/89/53/55/662895355.db2.gz PLQUXYQLEIBDGL-QGZVFWFLSA-N 1 0 377.282 2.804 20 0 GFADRO CN1CC[NH+](CC2(C)CCN(Cc3ncccc3Br)CC2)CC1 ZINC000878426819 662896179 /nfs/dbraw/zinc/89/61/79/662896179.db2.gz DXFITZGXRYIACK-UHFFFAOYSA-N 1 0 381.362 2.694 20 0 GFADRO OCC[N@@H+](Cc1cc(Br)cs1)C[C@@H]1CC2(CO1)CCOCC2 ZINC000878509903 662897773 /nfs/dbraw/zinc/89/77/73/662897773.db2.gz YJPONBYLDZWXLB-AWEZNQCLSA-N 1 0 390.343 2.891 20 0 GFADRO COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@H](C)[N@@H+]2C[C@H](O)c2ccc(Br)cc2)O1 ZINC000878565338 662898893 /nfs/dbraw/zinc/89/88/93/662898893.db2.gz JGIDSQFGQRYSPT-ULSVASMSSA-N 1 0 398.297 2.666 20 0 GFADRO C[C@@](CO)([NH2+]C[C@@H]1CC2(CO1)CCOCC2)c1ccc(Br)cc1 ZINC000878602819 662899992 /nfs/dbraw/zinc/89/99/92/662899992.db2.gz HSMPKRKQQLRZCL-IRXDYDNUSA-N 1 0 384.314 2.832 20 0 GFADRO OC[C@H]1C[N@H+](C[C@@H](O)c2ccc(Br)cc2)CC[C@@H]1C(F)(F)F ZINC000878604644 662900165 /nfs/dbraw/zinc/90/01/65/662900165.db2.gz DMDYLAMMJSFPTL-KWCYVHTRSA-N 1 0 382.220 2.975 20 0 GFADRO O[C@H](C[N@@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21)c1cc(Br)no1 ZINC000878604749 662900173 /nfs/dbraw/zinc/90/01/73/662900173.db2.gz DWWKMAQNAOIRDL-KLHDSHLOSA-N 1 0 393.281 2.975 20 0 GFADRO CC(C)(CO)[C@@H]([NH2+]C[C@@H](O)c1cc(Br)no1)c1cccs1 ZINC000878621391 662900608 /nfs/dbraw/zinc/90/06/08/662900608.db2.gz BDQWUFCUGNVHOU-RNCFNFMXSA-N 1 0 375.288 2.881 20 0 GFADRO CN(CC[N@H+](C)CC[C@@H]1CCCC1(F)F)c1ccc(S(N)(=O)=O)cc1 ZINC000878665504 662902033 /nfs/dbraw/zinc/90/20/33/662902033.db2.gz ITALLAVSEUPGLQ-AWEZNQCLSA-N 1 0 375.485 2.528 20 0 GFADRO C[N@H+](CCc1ccc(C(N)=O)cc1)C[C@H](O)c1cccc(Br)c1 ZINC000878709599 662903299 /nfs/dbraw/zinc/90/32/99/662903299.db2.gz PFQQORBFKSMLRS-KRWDZBQOSA-N 1 0 377.282 2.756 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(C(=O)Nc3ccc([S@](=O)C(F)(F)F)cc3)CC[C@@H]21 ZINC000878879419 662908205 /nfs/dbraw/zinc/90/82/05/662908205.db2.gz SRMXLFMGDJNEBN-XPZKFQLMSA-N 1 0 375.416 2.872 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(C(=O)Nc3ccc([S@@](=O)C(F)(F)F)cc3)CC[C@H]21 ZINC000878879398 662908225 /nfs/dbraw/zinc/90/82/25/662908225.db2.gz SRMXLFMGDJNEBN-DDGBTSPSSA-N 1 0 375.416 2.872 20 0 GFADRO CN(CCCN1CC[NH+](C)CC1)C(=O)c1ccc(OC(F)F)c(Cl)c1 ZINC000878926719 662909665 /nfs/dbraw/zinc/90/96/65/662909665.db2.gz OZJAMPKPHHTUIZ-UHFFFAOYSA-N 1 0 375.847 2.651 20 0 GFADRO CCCSc1nsc(NC(=O)N2CCC[C@H]([NH2+]C3CCOCC3)C2)n1 ZINC000878945052 662910593 /nfs/dbraw/zinc/91/05/93/662910593.db2.gz GGODSJVIGSHSGC-ZDUSSCGKSA-N 1 0 385.559 2.805 20 0 GFADRO O[C@@H]1C[C@H]2C[N@H+](CCc3ccccc3Br)Cc3cccnc3N2C1 ZINC000879016591 662913282 /nfs/dbraw/zinc/91/32/82/662913282.db2.gz NQEWHMIKSDWSQJ-DLBZAZTESA-N 1 0 388.309 2.842 20 0 GFADRO C[C@@H]([NH2+]C[C@@H](O)CC1(O)CCOCC1)c1ccc(C(F)(F)F)nc1Cl ZINC000879018856 662913448 /nfs/dbraw/zinc/91/34/48/662913448.db2.gz ZPOPJUQQJWPURB-MNOVXSKESA-N 1 0 382.810 2.697 20 0 GFADRO CN(C[C@H](O)C[N@H+](C)Cc1ccnc(Br)c1)C(=O)OC(C)(C)C ZINC000879081394 662915739 /nfs/dbraw/zinc/91/57/39/662915739.db2.gz XSLNTBIVCYCKOQ-CYBMUJFWSA-N 1 0 388.306 2.504 20 0 GFADRO CC(C)CC[NH+]1CCC(CNC(=O)Cc2c(Br)cnn2C)CC1 ZINC000879103564 662916829 /nfs/dbraw/zinc/91/68/29/662916829.db2.gz DLVDTCHIHWTREN-UHFFFAOYSA-N 1 0 385.350 2.599 20 0 GFADRO OCC[C@H]([NH2+]C[C@H](O)c1cc(Br)no1)c1ccc(Cl)c(F)c1 ZINC000879114581 662917608 /nfs/dbraw/zinc/91/76/08/662917608.db2.gz LOONPVALDKUGQF-RYUDHWBXSA-N 1 0 393.640 2.976 20 0 GFADRO O=C(Nc1cccc(Br)n1)N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000879203665 662920535 /nfs/dbraw/zinc/92/05/35/662920535.db2.gz SJHKITMXUHCRAU-CYBMUJFWSA-N 1 0 383.290 2.609 20 0 GFADRO NC(=O)[C@H](C1CC1)[N@H+](C[C@H](O)c1ccc(F)c(Br)c1)CC1CC1 ZINC000879486312 662926902 /nfs/dbraw/zinc/92/69/02/662926902.db2.gz LOJGAKWEEGHWDN-HOTGVXAUSA-N 1 0 385.277 2.598 20 0 GFADRO C[C@H](NC(=O)Cc1c(Br)cnn1C)[C@H](c1ccccc1)[NH+](C)C ZINC000879517595 662928305 /nfs/dbraw/zinc/92/83/05/662928305.db2.gz IDMFHUPNOKQYHQ-YVEFUNNKSA-N 1 0 379.302 2.533 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(Cc3noc(Cc4ccc(Br)cc4)n3)CC[C@@H]21 ZINC000879573459 662929701 /nfs/dbraw/zinc/92/97/01/662929701.db2.gz OJTBFNQRRUXWSC-ZBFHGGJFSA-N 1 0 391.313 2.949 20 0 GFADRO CC(C)(O)C1CC[NH+](C[C@H](O)COc2cc(F)cc(Br)c2)CC1 ZINC000879628174 662930613 /nfs/dbraw/zinc/93/06/13/662930613.db2.gz JPFCPEXISFSEPT-HNNXBMFYSA-N 1 0 390.293 2.811 20 0 GFADRO COCC[N@H+](Cc1nnc(-c2ccc(Br)o2)o1)C1CCOCC1 ZINC000879706360 662937593 /nfs/dbraw/zinc/93/75/93/662937593.db2.gz NWCJFMFWMAILSP-UHFFFAOYSA-N 1 0 386.246 2.720 20 0 GFADRO C[NH+](C)C[C@]1(O)CCCN(C(=O)c2cc(Br)ccc2C2CC2)C1 ZINC000879782221 662939392 /nfs/dbraw/zinc/93/93/92/662939392.db2.gz AJFKKYYZVCHFFM-GOSISDBHSA-N 1 0 381.314 2.855 20 0 GFADRO Cn1ncc(Br)c1CC(=O)Nc1cccc2c1OCC[C@@H]2[NH+](C)C ZINC000879817618 662940003 /nfs/dbraw/zinc/94/00/03/662940003.db2.gz WONZYYXBTIGDKN-AWEZNQCLSA-N 1 0 393.285 2.749 20 0 GFADRO CC(C)(O)[C@@H]1CCC[N@H+](C[C@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000879963906 662943611 /nfs/dbraw/zinc/94/36/11/662943611.db2.gz QUQJUEZRONQAFG-DOMZBBRYSA-N 1 0 390.293 2.811 20 0 GFADRO Cn1cc(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c(Br)n1 ZINC000880050637 662947672 /nfs/dbraw/zinc/94/76/72/662947672.db2.gz OGDVKPCZRNFMRV-SMDDNHRTSA-N 1 0 382.306 2.663 20 0 GFADRO CN(Cc1ccccc1Br)C(=O)CN1CC[C@@H]2[C@@H]1CCC[N@@H+]2C ZINC000880129462 662952091 /nfs/dbraw/zinc/95/20/91/662952091.db2.gz JLYXJCCRJQANRM-SJORKVTESA-N 1 0 380.330 2.576 20 0 GFADRO Cc1cc(NC(=O)CC[NH2+][C@@]2(c3ccc(Br)cc3)C[C@@H](O)C2)no1 ZINC000880221521 662955526 /nfs/dbraw/zinc/95/55/26/662955526.db2.gz NXNVNYWHAYWJIU-KDYLLFBJSA-N 1 0 394.269 2.714 20 0 GFADRO COCC[NH+]1CCC(NC(=O)Nc2ccc(Br)cc2OC)CC1 ZINC000880630789 662965502 /nfs/dbraw/zinc/96/55/02/662965502.db2.gz JOTHWLHQTRQVKG-UHFFFAOYSA-N 1 0 386.290 2.690 20 0 GFADRO COc1cc(Br)ccc1NC(=O)N[C@H](C)CC[NH+]1CCN(C)CC1 ZINC000880631462 662965988 /nfs/dbraw/zinc/96/59/88/662965988.db2.gz DXLNIEXBVDZGIF-CYBMUJFWSA-N 1 0 399.333 2.605 20 0 GFADRO CC(=O)c1ccc(Br)c(NC(=O)NC[C@H]2CCCC[N@@H+]2CCO)c1 ZINC000880808171 662973869 /nfs/dbraw/zinc/97/38/69/662973869.db2.gz QIQNHXJWMLMBKA-CQSZACIVSA-N 1 0 398.301 2.620 20 0 GFADRO CN(C)CC[N@H+](C)CCCN(C)C(=O)Nc1cccc(F)c1Br ZINC000881138703 662982790 /nfs/dbraw/zinc/98/27/90/662982790.db2.gz OLNNOAYOXRXVML-UHFFFAOYSA-N 1 0 389.313 2.935 20 0 GFADRO C[NH+](C)C1CCN(CCNC(=O)Nc2cccc(F)c2Br)CC1 ZINC000881140986 662983118 /nfs/dbraw/zinc/98/31/18/662983118.db2.gz PIRBHLSDZYTBIA-UHFFFAOYSA-N 1 0 387.297 2.736 20 0 GFADRO C[C@@](O)(Cn1cc(C2CC[NH2+]CC2)nn1)c1ccc(Br)cc1F ZINC000881425229 662993885 /nfs/dbraw/zinc/99/38/85/662993885.db2.gz UWDYQAJLPBKPGA-MRXNPFEDSA-N 1 0 383.265 2.554 20 0 GFADRO COc1ncc(C(=O)N2CCN(c3cc[nH+]cc3)[C@@H](C)C2)cc1Br ZINC000881631363 662998548 /nfs/dbraw/zinc/99/85/48/662998548.db2.gz VJIUOALLWZMWIG-LBPRGKRZSA-N 1 0 391.269 2.599 20 0 GFADRO COc1cccc([C@H](CNc2ccc3nnc(Br)n3n2)[NH+](C)C)c1 ZINC000881757678 663001908 /nfs/dbraw/zinc/00/19/08/663001908.db2.gz NERSASBWAXLOIL-ZDUSSCGKSA-N 1 0 391.273 2.610 20 0 GFADRO CC1CC[NH+](CCCCNS(=O)(=O)N=[S@@](C)(=O)C2CCCCC2)CC1 ZINC000881790608 663003388 /nfs/dbraw/zinc/00/33/88/663003388.db2.gz TVNCVEJWXWQZLQ-DEOSSOPVSA-N 1 0 393.619 2.763 20 0 GFADRO C[NH+](C)[C@H]1CCC[C@@H](Nc2cnn(CC(F)(F)F)c(=O)c2Br)C1 ZINC000882057141 663015344 /nfs/dbraw/zinc/01/53/44/663015344.db2.gz OTHHEIYMFRDYTC-ZJUUUORDSA-N 1 0 397.239 2.853 20 0 GFADRO CC[N@H+](CCNc1ccc2nnc(Br)n2n1)CCC(F)(F)F ZINC000882256011 663022557 /nfs/dbraw/zinc/02/25/57/663022557.db2.gz KOBPIKUUEXDABJ-UHFFFAOYSA-N 1 0 381.200 2.573 20 0 GFADRO O=C(NCCC1(O)CC[NH+](Cc2ccccc2)CC1)C1SCCCS1 ZINC000882380924 663026290 /nfs/dbraw/zinc/02/62/90/663026290.db2.gz LNVNMPMJISVUPA-UHFFFAOYSA-N 1 0 380.579 2.716 20 0 GFADRO CC[N@@H+]1CC[C@@H]1CNC(=O)c1c(F)ccc(I)c1Cl ZINC000882498383 663029199 /nfs/dbraw/zinc/02/91/99/663029199.db2.gz VKKSOEVUZGMPDH-MRVPVSSYSA-N 1 0 396.631 2.908 20 0 GFADRO C[C@H]1C[C@@H](C(=O)N[C@H]2CCc3cc(Br)ccc3NC2=O)CC[N@@H+]1C ZINC000882736853 663039564 /nfs/dbraw/zinc/03/95/64/663039564.db2.gz UVPYTJPXJCUOLA-RBOXIYTFSA-N 1 0 394.313 2.549 20 0 GFADRO Cn1nc2c(c1C[NH2+]CCc1cc(Cl)c3c(c1)OCCO3)CSCC2 ZINC000882881659 663044415 /nfs/dbraw/zinc/04/44/15/663044415.db2.gz XTUWENXCTQGOJB-UHFFFAOYSA-N 1 0 379.913 2.966 20 0 GFADRO COc1cc(C[NH2+]CC[C@@H]2CCCS2(=O)=O)ccc1OCC(F)(F)F ZINC000883299657 663052940 /nfs/dbraw/zinc/05/29/40/663052940.db2.gz BEHKXCYICFIDJW-ZDUSSCGKSA-N 1 0 381.416 2.693 20 0 GFADRO COc1cc(C[NH2+]CC[C@H]2CCCS2(=O)=O)ccc1OCC(F)(F)F ZINC000883299656 663053016 /nfs/dbraw/zinc/05/30/16/663053016.db2.gz BEHKXCYICFIDJW-CYBMUJFWSA-N 1 0 381.416 2.693 20 0 GFADRO O=C(Nc1cccc(Br)c1)C1CCN(C[C@@H]2C[C@H](F)C[NH2+]2)CC1 ZINC000883421817 663055136 /nfs/dbraw/zinc/05/51/36/663055136.db2.gz WEPSKNLURJJFSN-HOCLYGCPSA-N 1 0 384.293 2.800 20 0 GFADRO O=C(NCCCCC[NH+]1CCCCC1)NC[C@@H](O)C(F)(F)C(F)(F)F ZINC000883437566 663055230 /nfs/dbraw/zinc/05/52/30/663055230.db2.gz WBDGJCBAIDPNPE-GFCCVEGCSA-N 1 0 375.382 2.500 20 0 GFADRO C[NH2+]C[C@H]1CCN(S(=O)(=O)c2cc(Cl)c(Br)cc2C)C1 ZINC000883465046 663055568 /nfs/dbraw/zinc/05/55/68/663055568.db2.gz DWIFUYLYXRPUNO-SNVBAGLBSA-N 1 0 381.723 2.641 20 0 GFADRO [NH3+]CCN(CC(F)(F)F)S(=O)(=O)c1cccc(Br)c1Cl ZINC000883471727 663055615 /nfs/dbraw/zinc/05/56/15/663055615.db2.gz XDVRFWSWFZUTGK-UHFFFAOYSA-N 1 0 395.628 2.614 20 0 GFADRO Cc1ccc(S(=O)(=O)N2CCc3sc(C[NH3+])nc3C2)cc1C(F)(F)F ZINC000883481313 663055858 /nfs/dbraw/zinc/05/58/58/663055858.db2.gz GKDAMMAKSDDOAJ-UHFFFAOYSA-N 1 0 391.440 2.676 20 0 GFADRO O=C(c1ccc(OC(F)F)c(Br)c1)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000883510074 663056451 /nfs/dbraw/zinc/05/64/51/663056451.db2.gz HPIDHIHJMKXFCQ-MNOVXSKESA-N 1 0 375.213 2.732 20 0 GFADRO CCC1([NH3+])CCN(C(=O)C(=O)Nc2cc(Br)c(F)cc2C)CC1 ZINC000883627262 663058345 /nfs/dbraw/zinc/05/83/45/663058345.db2.gz WCJGGFPROVHQDR-UHFFFAOYSA-N 1 0 386.265 2.565 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)C(=O)N1CCC([NH3+])(CC)CC1 ZINC000883627469 663058368 /nfs/dbraw/zinc/05/83/68/663058368.db2.gz CSFORTCLZURPEY-UHFFFAOYSA-N 1 0 382.302 2.680 20 0 GFADRO CC[N@H+](CCNC(=O)N1CC[C@](OC)(C(F)(F)F)C1)CCC(F)(F)F ZINC000883646670 663058746 /nfs/dbraw/zinc/05/87/46/663058746.db2.gz YEKMCKHFUUMIHH-GFCCVEGCSA-N 1 0 379.345 2.624 20 0 GFADRO [NH3+][C@H](C(=O)NCCc1ccc2c(c1)OCCO2)c1ccc(Br)cc1 ZINC000884051323 663064229 /nfs/dbraw/zinc/06/42/29/663064229.db2.gz BTNMOTJQNKWUQM-KRWDZBQOSA-N 1 0 391.265 2.579 20 0 GFADRO COCCOc1cccc(CNC(=O)[C@H]([NH3+])c2ccc(Br)cc2)c1 ZINC000884082195 663064666 /nfs/dbraw/zinc/06/46/66/663064666.db2.gz XXXALULNKSQWRE-QGZVFWFLSA-N 1 0 393.281 2.791 20 0 GFADRO CC(=O)NCc1ccc(-c2nc(NC(=O)[C@H]([NH3+])CC3CC3)sc2C)s1 ZINC000884089442 663064751 /nfs/dbraw/zinc/06/47/51/663064751.db2.gz PPNAOKKITZDBIM-CYBMUJFWSA-N 1 0 378.523 2.882 20 0 GFADRO CCC[C@H](NC(=O)[C@@H]([NH3+])CCS(C)(=O)=O)c1ccc(Cl)c(Cl)c1 ZINC000884112384 663065431 /nfs/dbraw/zinc/06/54/31/663065431.db2.gz KUSYSEKNMZADLA-KBPBESRZSA-N 1 0 381.325 2.713 20 0 GFADRO CCCN(C(=O)[C@H]1Cc2ccc(Br)cc2C(=O)O1)C1CC[NH2+]CC1 ZINC000884175379 663066603 /nfs/dbraw/zinc/06/66/03/663066603.db2.gz RFMDGFHDKPUBLZ-MRXNPFEDSA-N 1 0 395.297 2.521 20 0 GFADRO [NH3+][C@@H](C(=O)NC1CCN(CC(F)(F)F)CC1)c1ccc(Br)cc1 ZINC000884185118 663066788 /nfs/dbraw/zinc/06/67/88/663066788.db2.gz LNQPQKURSOPBIL-CYBMUJFWSA-N 1 0 394.235 2.592 20 0 GFADRO [NH3+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)COCCc1ccc(Br)cc1 ZINC000884237107 663067469 /nfs/dbraw/zinc/06/74/69/663067469.db2.gz RESBCBCZAHEHLA-ALOPSCKCSA-N 1 0 381.314 2.879 20 0 GFADRO C[C@@H]1[NH2+]CCN(C(=O)c2cc(Br)nn2-c2ncccc2Cl)[C@H]1C ZINC000884271518 663067956 /nfs/dbraw/zinc/06/79/56/663067956.db2.gz GGBYLMHTUKUXEF-UWVGGRQHSA-N 1 0 398.692 2.506 20 0 GFADRO Cn1cc(C(=O)N2CC[NH2+]C[C@@H]2c2cccc(Cl)c2)c(Br)n1 ZINC000884279571 663068075 /nfs/dbraw/zinc/06/80/75/663068075.db2.gz OKAHYPBAGRZPLH-CYBMUJFWSA-N 1 0 383.677 2.623 20 0 GFADRO O=C(COCCc1ccc(Br)cc1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000884290992 663068155 /nfs/dbraw/zinc/06/81/55/663068155.db2.gz NMGOLEKNTPTEEZ-QGZVFWFLSA-N 1 0 395.341 2.856 20 0 GFADRO O=C(c1ccc(OC(F)F)c(Br)c1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000884293366 663068371 /nfs/dbraw/zinc/06/83/71/663068371.db2.gz BICAQRBPUMZTQH-ZYHUDNBSSA-N 1 0 375.213 2.875 20 0 GFADRO CN(C(=O)c1cc(Br)nn1-c1ncccc1Cl)C1(C[NH3+])CCC1 ZINC000884299675 663068444 /nfs/dbraw/zinc/06/84/44/663068444.db2.gz APMGLZXAKXYTAY-UHFFFAOYSA-N 1 0 398.692 2.637 20 0 GFADRO [NH3+]C[C@@H]1CC[C@H](NC(=O)c2cc(Br)nn2-c2ncccc2Cl)C1 ZINC000884303594 663068458 /nfs/dbraw/zinc/06/84/58/663068458.db2.gz SBXQUQGYKHINQH-ZJUUUORDSA-N 1 0 398.692 2.540 20 0 GFADRO COc1ccc(S(=O)(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c(Cl)c1Cl ZINC000884953169 663079434 /nfs/dbraw/zinc/07/94/34/663079434.db2.gz UYPPBUDVHXXXIY-WDEREUQCSA-N 1 0 379.309 2.907 20 0 GFADRO O=S(=O)(CCc1ccccc1Br)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000884956613 663079627 /nfs/dbraw/zinc/07/96/27/663079627.db2.gz CBNCCSHAJRYIMD-LSDHHAIUSA-N 1 0 387.343 2.538 20 0 GFADRO C[NH+](C)CCn1ccc(C(=O)N2CC(Cc3ccc(Br)cc3)C2)n1 ZINC000885687342 663095132 /nfs/dbraw/zinc/09/51/32/663095132.db2.gz XAUNIPKMNOVMKZ-UHFFFAOYSA-N 1 0 391.313 2.522 20 0 GFADRO C[C@H]1CN(c2cc[nH+]cc2)CCN1S(=O)(=O)C[C@@]1(C)CC1(Cl)Cl ZINC000885847844 663099138 /nfs/dbraw/zinc/09/91/38/663099138.db2.gz LPSBKHNICJITRZ-GXTWGEPZSA-N 1 0 378.325 2.506 20 0 GFADRO COc1nsc(C[NH2+]C[C@H](O)Cc2ccc(F)cc2)c1Br ZINC000886236199 663105589 /nfs/dbraw/zinc/10/55/89/663105589.db2.gz BJJWPDZXGKBDMC-LLVKDONJSA-N 1 0 375.263 2.747 20 0 GFADRO O[C@@H]1CC[C@@H]([NH2+]Cc2nc(-c3cccc(Br)c3)c[nH]2)CC[C@@H]1O ZINC000886259611 663106338 /nfs/dbraw/zinc/10/63/38/663106338.db2.gz CWDAUJXUQNIXPR-MKZZRHPPSA-N 1 0 380.286 2.593 20 0 GFADRO CC[NH+]1CCN(CCC(=O)N2CCc3cc(F)c(Br)cc3C2)CC1 ZINC000886289831 663107541 /nfs/dbraw/zinc/10/75/41/663107541.db2.gz IRRNKKLLTOVRRN-UHFFFAOYSA-N 1 0 398.320 2.501 20 0 GFADRO Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH2+][C@H]1CS(=O)(=O)C[C@H]1C ZINC000886295997 663107813 /nfs/dbraw/zinc/10/78/13/663107813.db2.gz WHISVZOWTBSBTC-XIKOKIGWSA-N 1 0 381.929 2.724 20 0 GFADRO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@H](CO)C[C@@H]1CCCO1 ZINC000886666421 663115319 /nfs/dbraw/zinc/11/53/19/663115319.db2.gz SLKXPIAIFLKMKU-KCXAZCMYSA-N 1 0 385.302 2.686 20 0 GFADRO O=S(=O)(/C=C\c1ccc(Br)cc1)NC[C@H]1C[NH2+]CCC1(F)F ZINC000886896281 663123978 /nfs/dbraw/zinc/12/39/78/663123978.db2.gz DQNMNKFWPXRZHQ-VVEJJEBESA-N 1 0 395.269 2.584 20 0 GFADRO COC[C@H]([NH2+]CC(=O)N[C@@H](C)c1ccc(Br)cc1)[C@H]1CCCOC1 ZINC000886905989 663124461 /nfs/dbraw/zinc/12/44/61/663124461.db2.gz PWFJKFFYANPBOL-QRTARXTBSA-N 1 0 399.329 2.658 20 0 GFADRO COC[C@H]([NH2+][C@@H]1CCN(c2cccc(Br)c2)C1=O)[C@@H]1CCCOC1 ZINC000886915777 663124944 /nfs/dbraw/zinc/12/49/44/663124944.db2.gz JSOSBKVCUDKGSL-XYPHTWIQSA-N 1 0 397.313 2.586 20 0 GFADRO COC[C@@H]([NH2+]Cc1nc2ccc(Br)cc2n1C)[C@H]1CCCOC1 ZINC000886915428 663124958 /nfs/dbraw/zinc/12/49/58/663124958.db2.gz DLVGVGOBLCMGQW-SWLSCSKDSA-N 1 0 382.302 2.867 20 0 GFADRO C[C@@H]([NH2+]CC(=O)N[C@@H](C)C(=O)N(C)C)c1cccc(SC(F)(F)F)c1 ZINC000886930322 663125118 /nfs/dbraw/zinc/12/51/18/663125118.db2.gz YYVXGBXXUHDEEO-MNOVXSKESA-N 1 0 377.432 2.542 20 0 GFADRO CC(C)c1cnc(NC(=O)C(=O)N(CC[NH3+])Cc2cccc(Cl)c2)s1 ZINC000887031495 663129570 /nfs/dbraw/zinc/12/95/70/663129570.db2.gz NNTPQJAIJQMFBA-UHFFFAOYSA-N 1 0 380.901 2.846 20 0 GFADRO COc1ccc([C@@H]2C[NH2+]CCN2C(=O)c2ncc(Br)s2)cc1 ZINC000887401903 663144319 /nfs/dbraw/zinc/14/43/19/663144319.db2.gz KQCXJJGWJTXKJC-LBPRGKRZSA-N 1 0 382.283 2.701 20 0 GFADRO [NH3+][C@@H]1CCCN(Cc2cn(Cc3cc(Br)ccc3Cl)nn2)C1 ZINC000887442725 663146696 /nfs/dbraw/zinc/14/66/96/663146696.db2.gz QAHWZQWFMOWJJX-CYBMUJFWSA-N 1 0 384.709 2.665 20 0 GFADRO C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)Nc1cccnc1Br ZINC000887909795 663168643 /nfs/dbraw/zinc/16/86/43/663168643.db2.gz DKMOJFIJDPCVTE-LBPRGKRZSA-N 1 0 376.258 2.982 20 0 GFADRO C[N@@H+]1C[C@@H]2CN(C(=O)c3cc(=O)[nH]c4ccc(Br)cc43)C[C@]2(C)C1 ZINC000887932146 663170583 /nfs/dbraw/zinc/17/05/83/663170583.db2.gz XBQSHWDXBCKSGT-ZMZPIMSZSA-N 1 0 390.281 2.727 20 0 GFADRO CC(C)COc1cc(NC(=O)CN2CCN(C)CC2)ccc1Br ZINC000888421636 663196549 /nfs/dbraw/zinc/19/65/49/663196549.db2.gz QORJVMPJZFHGOY-UHFFFAOYSA-N 1 0 384.318 2.670 20 0 GFADRO C[NH+](C)CCN(C(=O)c1nn2c(c1Br)CCC2)c1ccccc1 ZINC000888573826 663205659 /nfs/dbraw/zinc/20/56/59/663205659.db2.gz GJQDXLRREUWIMX-UHFFFAOYSA-N 1 0 377.286 2.800 20 0 GFADRO C[C@H]1CN(C(=O)Nc2nc3ccc(Cl)nc3s2)CC[N@@H+]1CC(C)(C)O ZINC000888789660 663216536 /nfs/dbraw/zinc/21/65/36/663216536.db2.gz VBCVUERCGCLCLY-JTQLQIEISA-N 1 0 383.905 2.654 20 0 GFADRO Cn1ncc(Br)c1CC(=O)Nc1cccc(OCCC[NH+](C)C)c1 ZINC000888921608 663225698 /nfs/dbraw/zinc/22/56/98/663225698.db2.gz BLCDSEVPMNAJJP-UHFFFAOYSA-N 1 0 395.301 2.694 20 0 GFADRO CNc1cc(I)ccc1C(=O)N1CCC12CC[NH+](C)CC2 ZINC000889221367 663237972 /nfs/dbraw/zinc/23/79/72/663237972.db2.gz BOUSVOGDKBVUGK-UHFFFAOYSA-N 1 0 399.276 2.643 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)c2cn(C)nc2Br)CC[N@@H+]1Cc1ccccc1 ZINC000889401648 663243668 /nfs/dbraw/zinc/24/36/68/663243668.db2.gz ONCCKDVALAOJDX-UKRRQHHQSA-N 1 0 391.313 2.966 20 0 GFADRO CCc1ccc(Br)cc1C(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000889739964 663261919 /nfs/dbraw/zinc/26/19/19/663261919.db2.gz QLZHRQNVIIUAMX-SJORKVTESA-N 1 0 381.314 2.683 20 0 GFADRO Cc1ccc(Br)c(C)c1C(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000889750946 663262763 /nfs/dbraw/zinc/26/27/63/663262763.db2.gz OUAZYZWSKRFZJI-HZPDHXFCSA-N 1 0 381.314 2.737 20 0 GFADRO CC(C)(C(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO)c1cccc(Br)c1 ZINC000889770068 663265124 /nfs/dbraw/zinc/26/51/24/663265124.db2.gz PFPZISAETLZJMN-IRXDYDNUSA-N 1 0 395.341 2.784 20 0 GFADRO C[C@H](Oc1cccc(Cl)c1Cl)C(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000889775370 663266086 /nfs/dbraw/zinc/26/60/86/663266086.db2.gz MKWFMXQZVPSSQC-QEJZJMRPSA-N 1 0 387.307 2.818 20 0 GFADRO O=C(CCc1ccc(Br)cc1F)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000889776360 663266212 /nfs/dbraw/zinc/26/62/12/663266212.db2.gz ZSCDKJNFFGRYSU-IRXDYDNUSA-N 1 0 399.304 2.578 20 0 GFADRO CC[NH+]1CCC(NC(=O)c2ccc(Br)cn2)(C(F)(F)F)CC1 ZINC000891207095 663329658 /nfs/dbraw/zinc/32/96/58/663329658.db2.gz ACNXTOZRLAMVKA-UHFFFAOYSA-N 1 0 380.208 2.991 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)NCc2cc(Br)ccc2F)C[C@H]1C(F)(F)F ZINC000891363543 663337303 /nfs/dbraw/zinc/33/73/03/663337303.db2.gz KORWPLZDPPIQOP-GXSJLCMTSA-N 1 0 398.198 2.867 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)NCc2cc(Br)cs2)C[C@@H]1C(F)(F)F ZINC000891368578 663337651 /nfs/dbraw/zinc/33/76/51/663337651.db2.gz FGHPBWFWFYKLOF-XVKPBYJWSA-N 1 0 386.237 2.789 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)N[C@@H]2CCOc3c(Cl)cccc32)C[C@H]1C(F)(F)F ZINC000891417738 663339149 /nfs/dbraw/zinc/33/91/49/663339149.db2.gz LUTUTYURIJIGRM-IRUJWGPZSA-N 1 0 377.794 2.942 20 0 GFADRO CCN(C(=O)NCc1cc(Br)ccc1OC(F)F)[C@@H]1CC[NH2+]C1 ZINC000891474231 663340515 /nfs/dbraw/zinc/34/05/15/663340515.db2.gz TYPUXSSCSQZQKU-GFCCVEGCSA-N 1 0 392.244 2.944 20 0 GFADRO COc1cc(CNC(=O)N2CCC[C@@H]3[NH2+]CC[C@H]32)cc(Br)c1OC ZINC000891466501 663340521 /nfs/dbraw/zinc/34/05/21/663340521.db2.gz XJACSQQOHSXXIB-UONOGXRCSA-N 1 0 398.301 2.502 20 0 GFADRO COc1cc(Br)ccc1[C@@H](C)NC(=O)NCc1cc(N)cc[nH+]1 ZINC000891841895 663352456 /nfs/dbraw/zinc/35/24/56/663352456.db2.gz NVTCAFOWLXMYKH-SNVBAGLBSA-N 1 0 379.258 2.995 20 0 GFADRO O=C(N[C@@H]1CCOc2c(Br)cccc21)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000891883015 663354239 /nfs/dbraw/zinc/35/42/39/663354239.db2.gz XVMQBFHKUPEKTD-CKEIUWERSA-N 1 0 380.286 2.857 20 0 GFADRO [NH3+]C[C@H]1CC[C@H](NC(=O)N[C@H]2COc3cc(F)c(Br)cc32)CC1 ZINC000891889044 663354514 /nfs/dbraw/zinc/35/45/14/663354514.db2.gz YUSXKIFXGSZZDQ-BHDSKKPTSA-N 1 0 386.265 2.838 20 0 GFADRO COC[C@H](NC(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1)c1cccc(Cl)c1 ZINC000891900761 663354725 /nfs/dbraw/zinc/35/47/25/663354725.db2.gz BGJSBODRLKHQOE-BNOWGMLFSA-N 1 0 379.810 2.806 20 0 GFADRO CCN(C(=O)NCCc1c[nH]c2cccc(Br)c12)[C@@H]1CC[NH2+]C1 ZINC000891903623 663354922 /nfs/dbraw/zinc/35/49/22/663354922.db2.gz DWMGOWGZPSAEBG-CYBMUJFWSA-N 1 0 379.302 2.866 20 0 GFADRO [NH3+]Cc1nc2c(s1)CCN(C(=O)NCCOc1ccc(F)c(Cl)c1)C2 ZINC000891930103 663355875 /nfs/dbraw/zinc/35/58/75/663355875.db2.gz QUDRJQSAYYAZSL-UHFFFAOYSA-N 1 0 384.864 2.541 20 0 GFADRO C[NH2+]CCCNC(=O)N1CC2(CCOCC2)c2ccc(Br)cc21 ZINC000891961699 663356633 /nfs/dbraw/zinc/35/66/33/663356633.db2.gz GXMCQVFCICNDPR-UHFFFAOYSA-N 1 0 382.302 2.636 20 0 GFADRO CC[N@H+](C[C@@]1(C)CCCN(C(=O)OC(C)(C)C)C1)[C@H](C)CS(C)(=O)=O ZINC000892041023 663360236 /nfs/dbraw/zinc/36/02/36/663360236.db2.gz FCGWVGJTNXFFAU-CRAIPNDOSA-N 1 0 376.563 2.779 20 0 GFADRO COc1ccc(Br)c(CNC(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3C)c1 ZINC000892138139 663363082 /nfs/dbraw/zinc/36/30/82/663363082.db2.gz BOSFMTMFQCCNLP-CVEARBPZSA-N 1 0 382.302 2.836 20 0 GFADRO C[NH+](C)[C@@H]1CCCN(c2ncnc3c2c(Br)nn3C(C)(C)C)C1 ZINC000892288099 663368384 /nfs/dbraw/zinc/36/83/84/663368384.db2.gz GFJXEHZFUYJBDS-LLVKDONJSA-N 1 0 381.322 2.874 20 0 GFADRO CCOC(=O)c1ncc(Br)c(N2CCCC[C@H]([NH+]3CCCC3)C2)n1 ZINC000892409279 663372484 /nfs/dbraw/zinc/37/24/84/663372484.db2.gz ABWLERVEEVUCGH-ZDUSSCGKSA-N 1 0 397.317 2.871 20 0 GFADRO CC[NH+](CC)[C@H](CNC(=O)NCc1ncc(Br)cn1)c1ccco1 ZINC000892412712 663372567 /nfs/dbraw/zinc/37/25/67/663372567.db2.gz MVYJHKDUDVIFMG-CYBMUJFWSA-N 1 0 396.289 2.714 20 0 GFADRO [NH3+][C@H]1C[C@H](CNC(=O)N2CCC[C@H]2c2ccc(I)cc2)C1 ZINC000892573892 663377725 /nfs/dbraw/zinc/37/77/25/663377725.db2.gz PTLHTTQNPWWRMM-CQDKDKBSSA-N 1 0 399.276 2.875 20 0 GFADRO [NH3+][C@H]1C[C@H](CNC(=O)N2CCC[C@@H]2c2ccc(I)cc2)C1 ZINC000892573893 663377766 /nfs/dbraw/zinc/37/77/66/663377766.db2.gz PTLHTTQNPWWRMM-KCPJHIHWSA-N 1 0 399.276 2.875 20 0 GFADRO C[C@H]1CN([C@H](C[NH2+]C2CCS(=O)CC2)c2c(F)cccc2Cl)CCO1 ZINC000892584344 663377982 /nfs/dbraw/zinc/37/79/82/663377982.db2.gz JHUUSMYHFKLMAO-OWXVCGORSA-N 1 0 388.936 2.742 20 0 GFADRO CCn1cc(C[NH2+]CCCNC(=O)c2ccc(Br)cc2)c(C)n1 ZINC000892815753 663385655 /nfs/dbraw/zinc/38/56/55/663385655.db2.gz JHOWKMMKNLWIQH-UHFFFAOYSA-N 1 0 379.302 2.884 20 0 GFADRO Cn1ncc(Br)c1CC(=O)N1C[C@H]([NH+](C)C)CCc2ccccc21 ZINC000892860166 663386970 /nfs/dbraw/zinc/38/69/70/663386970.db2.gz JZDHBJIWNHHQPI-CQSZACIVSA-N 1 0 391.313 2.635 20 0 GFADRO C[C@H]([NH2+]C[C@H]1C[C@]1(C)Br)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000892858005 663386988 /nfs/dbraw/zinc/38/69/88/663386988.db2.gz MWVULEQZXZGNHM-LNSITVRQSA-N 1 0 375.332 2.761 20 0 GFADRO COCC[N@@H+]1CCC[C@H]1COC(=O)Cc1sc(CC(F)(F)F)nc1C ZINC000893253555 663404322 /nfs/dbraw/zinc/40/43/22/663404322.db2.gz QYFQZMWLFKOULK-LBPRGKRZSA-N 1 0 380.432 2.753 20 0 GFADRO C[C@H]1C[N@H+](CCCOC(=O)c2ccc3cncc(Br)c3n2)CCO1 ZINC000893387968 663409135 /nfs/dbraw/zinc/40/91/35/663409135.db2.gz VSWCFHFMGYQRPR-LBPRGKRZSA-N 1 0 394.269 2.660 20 0 GFADRO C[C@H]([NH2+][C@H]1CCN(c2ccccc2C(F)(F)F)C1)[C@H]1CCS(=O)(=O)C1 ZINC000893684471 663420111 /nfs/dbraw/zinc/42/01/11/663420111.db2.gz BGFFWTDZNBJVRP-IHRRRGAJSA-N 1 0 376.444 2.697 20 0 GFADRO C[C@H]([NH2+][C@H]1CCN(c2ccccc2C(F)(F)F)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000893684473 663420151 /nfs/dbraw/zinc/42/01/51/663420151.db2.gz BGFFWTDZNBJVRP-MJBXVCDLSA-N 1 0 376.444 2.697 20 0 GFADRO Cc1ccc(CN2CC[C@H]([NH2+]Cc3ncc(Br)cc3O)C2=O)cc1 ZINC000893998828 663436544 /nfs/dbraw/zinc/43/65/44/663436544.db2.gz BBSRDZCOMSSHPM-HNNXBMFYSA-N 1 0 390.281 2.749 20 0 GFADRO COC(=O)CCC1CC[NH+](Cc2sc(N3CCOCC3)nc2Cl)CC1 ZINC000894021695 663438088 /nfs/dbraw/zinc/43/80/88/663438088.db2.gz XXLMVJUTMCHMSV-UHFFFAOYSA-N 1 0 387.933 2.798 20 0 GFADRO Cc1[nH+]ccc(N2CC[C@H]3CN(C(=O)C(F)(F)F)C[C@@H]3C2)c1Br ZINC000894067312 663440473 /nfs/dbraw/zinc/44/04/73/663440473.db2.gz PUAUAGFJIZMWBF-QWRGUYRKSA-N 1 0 392.219 3.000 20 0 GFADRO CCOC(=O)c1ncc(C[NH2+]CCCCn2cc(Br)cn2)s1 ZINC000894133529 663444560 /nfs/dbraw/zinc/44/45/60/663444560.db2.gz DAXGDNSZFWVHQT-UHFFFAOYSA-N 1 0 387.303 2.849 20 0 GFADRO Clc1nc(N2CCOCC2)sc1C[NH2+]CCN1CCc2sccc2C1 ZINC000894201325 663448473 /nfs/dbraw/zinc/44/84/73/663448473.db2.gz YXXWFKPRZUPYBL-UHFFFAOYSA-N 1 0 398.985 2.843 20 0 GFADRO OCCOC1(C[NH2+]Cc2cc(Cl)cc(Br)c2)CCOCC1 ZINC000894262158 663451758 /nfs/dbraw/zinc/45/17/58/663451758.db2.gz UJKUIMWQOURQFW-UHFFFAOYSA-N 1 0 378.694 2.750 20 0 GFADRO COc1cc(CC[NH2+]Cc2sc(N3CCOCC3)nc2Cl)ccc1O ZINC000894273910 663451985 /nfs/dbraw/zinc/45/19/85/663451985.db2.gz SODRDWXCBFWUOR-UHFFFAOYSA-N 1 0 383.901 2.680 20 0 GFADRO CC(C)[C@H]1OCCC[C@@H]1C[NH2+]Cc1c(I)cnn1C ZINC000894316663 663454030 /nfs/dbraw/zinc/45/40/30/663454030.db2.gz NIUHPRGMWAGHML-BXUZGUMPSA-N 1 0 377.270 2.566 20 0 GFADRO CC[S@](=O)[C@H]1CCC[C@@H]([NH2+]Cc2sc(N3CCOCC3)nc2Cl)C1 ZINC000894323055 663454354 /nfs/dbraw/zinc/45/43/54/663454354.db2.gz BDHUKHYHZPKCEY-VXMWWYGOSA-N 1 0 391.990 2.803 20 0 GFADRO Cn1cc(C[NH2+]CC(C)(C)[C@H]2CCCCO2)c(I)n1 ZINC000894331083 663454875 /nfs/dbraw/zinc/45/48/75/663454875.db2.gz AMDVORGLQNFFKP-GFCCVEGCSA-N 1 0 377.270 2.710 20 0 GFADRO Oc1ccc2c(c1)CC[C@@H]([NH2+]Cc1sc(N3CCOCC3)nc1Cl)C2 ZINC000894572421 663469628 /nfs/dbraw/zinc/46/96/28/663469628.db2.gz HYGXREGJZOQKAM-CQSZACIVSA-N 1 0 379.913 2.986 20 0 GFADRO CCO[C@H](C[NH2+]Cc1c(I)cnn1C)c1ccccc1 ZINC000894575809 663469852 /nfs/dbraw/zinc/46/98/52/663469852.db2.gz LLQMVSZGHJSZBW-OAHLLOKOSA-N 1 0 385.249 2.892 20 0 GFADRO NC(=O)OC[C@H](Cc1ccccc1)[NH2+]Cc1ncc(Br)cc1O ZINC000894905407 663487645 /nfs/dbraw/zinc/48/76/45/663487645.db2.gz ZVZXOTCAOMIWLJ-ZDUSSCGKSA-N 1 0 380.242 2.760 20 0 GFADRO Cn1ncc(I)c1C[NH2+]C1CCC(OC(F)F)CC1 ZINC000894928840 663488900 /nfs/dbraw/zinc/48/89/00/663488900.db2.gz LPHAKZKBNYOILT-UHFFFAOYSA-N 1 0 385.196 2.665 20 0 GFADRO OC[C@H](C[NH2+]Cc1sc(N2CCOCC2)nc1Cl)c1ccc(F)cc1 ZINC000894992576 663493942 /nfs/dbraw/zinc/49/39/42/663493942.db2.gz ALXYWUKHCOIZLG-ZDUSSCGKSA-N 1 0 385.892 2.638 20 0 GFADRO NC(=O)[C@@H]1C[N@H+](Cc2cn3ccc(Br)cc3n2)C[C@H]1c1ccccc1 ZINC000895004768 663494605 /nfs/dbraw/zinc/49/46/05/663494605.db2.gz FKZOEFXHSVFEPF-DLBZAZTESA-N 1 0 399.292 2.798 20 0 GFADRO C[C@H]([NH2+]C1CCN(Cc2ccccc2Br)CC1)C1N=NC(=O)N1C ZINC000895177852 663501940 /nfs/dbraw/zinc/50/19/40/663501940.db2.gz SLBILACRTRCXJJ-LBPRGKRZSA-N 1 0 394.317 2.598 20 0 GFADRO C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)c1cc(Br)cnc1F ZINC000895262592 663505904 /nfs/dbraw/zinc/50/59/04/663505904.db2.gz MTOJXTRVUBLMTB-LLVKDONJSA-N 1 0 379.233 2.729 20 0 GFADRO CCOC(=O)[C@@H]1CC[C@H]([NH2+]CC[S@](=O)CC(F)(F)F)C[C@@H]1C(F)(F)F ZINC000895312968 663507593 /nfs/dbraw/zinc/50/75/93/663507593.db2.gz AVEDRMPMQBWMLC-RKCXINSLSA-N 1 0 397.381 2.797 20 0 GFADRO CC1(C)CNC(=O)[C@H]1[NH2+]C1CCN(Cc2ccccc2Br)CC1 ZINC000895316802 663507892 /nfs/dbraw/zinc/50/78/92/663507892.db2.gz RDIMERKUNMPMMR-MRXNPFEDSA-N 1 0 380.330 2.528 20 0 GFADRO C[N@@H+]1CCC[C@H](CCNC(=O)N[C@@](C)(CO)c2cccc(Br)c2)C1 ZINC000895321368 663508165 /nfs/dbraw/zinc/50/81/65/663508165.db2.gz YYNAXXPXMKLLMZ-KDOFPFPSSA-N 1 0 398.345 2.688 20 0 GFADRO C[C@@]1(CO)C[C@H](O)C[N@@H+]1Cc1cnc(-c2ccc(Br)cc2)s1 ZINC000895332801 663508467 /nfs/dbraw/zinc/50/84/67/663508467.db2.gz YZWNKIQZDPQEOY-BBRMVZONSA-N 1 0 383.311 2.890 20 0 GFADRO Cc1csc([C@H]2CCN(Cc3cn(C)nc3I)C2)n1 ZINC000895472100 663516218 /nfs/dbraw/zinc/51/62/18/663516218.db2.gz FJQLRSUXRYEBSR-JTQLQIEISA-N 1 0 388.278 2.779 20 0 GFADRO Cc1cc(Br)cn2c(C[NH+]3CCC4(CC3)COCCO4)cnc12 ZINC000895696285 663523856 /nfs/dbraw/zinc/52/38/56/663523856.db2.gz RNYIOUAXFGGAIF-UHFFFAOYSA-N 1 0 380.286 2.787 20 0 GFADRO Cn1ncc(I)c1C[NH2+]C[C@]1(C)CCOC2(CCC2)C1 ZINC000895821393 663528916 /nfs/dbraw/zinc/52/89/16/663528916.db2.gz KGEKMMAOMQJBDB-CQSZACIVSA-N 1 0 389.281 2.854 20 0 GFADRO COC(=O)[C@@H]1OCC[C@@H]1C[NH2+]Cc1cc2c(cc(F)cc2Br)[nH]1 ZINC000895831350 663529222 /nfs/dbraw/zinc/52/92/22/663529222.db2.gz CLNZPMZABNQCMC-RFAUZJTJSA-N 1 0 385.233 2.737 20 0 GFADRO CCOC(=O)[C@@H]1CC[C@@H]([NH2+]Cc2nc(CSC)n[nH]2)C[C@H]1C(F)(F)F ZINC000896053066 663539030 /nfs/dbraw/zinc/53/90/30/663539030.db2.gz AJUCUUCHBYUCGC-GMTAPVOTSA-N 1 0 380.436 2.668 20 0 GFADRO OC[C@@H](CCc1ccccc1)[NH2+]Cc1sc(N2CCOCC2)nc1Cl ZINC000896525820 663560403 /nfs/dbraw/zinc/56/04/03/663560403.db2.gz PLXSWLMDFYSUIZ-OAHLLOKOSA-N 1 0 381.929 2.716 20 0 GFADRO C[C@H](NC(=O)C(F)(F)c1cccc(Cl)c1Cl)[C@H]1C[N@H+](C)CCN1C ZINC000896534165 663562190 /nfs/dbraw/zinc/56/21/90/663562190.db2.gz KSWZSHFSQDNSNZ-GXFFZTMASA-N 1 0 380.266 2.836 20 0 GFADRO C[C@@H](NC(=O)CSCc1ccc(Cl)cc1Cl)[C@@H]1C[N@H+](C)CCN1C ZINC000896569288 663564963 /nfs/dbraw/zinc/56/49/63/663564963.db2.gz SROYLDHVWGWQGF-WBMJQRKESA-N 1 0 390.380 2.977 20 0 GFADRO COC(=O)c1ccc(C[NH2+]C[C@]2(OC(C)C)CCOC2)cc1Br ZINC000896667697 663570680 /nfs/dbraw/zinc/57/06/80/663570680.db2.gz NZLVAQIJBCWPKP-QGZVFWFLSA-N 1 0 386.286 2.909 20 0 GFADRO O=C1NC[C@@H](O)CC12CC[NH+](Cc1cc3cc(Br)ccc3o1)CC2 ZINC000897045114 663587915 /nfs/dbraw/zinc/58/79/15/663587915.db2.gz FDRWIBMCEKLARB-AWEZNQCLSA-N 1 0 393.281 2.658 20 0 GFADRO O=C(c1nn2c(c1Br)CCC2)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000897104556 663592094 /nfs/dbraw/zinc/59/20/94/663592094.db2.gz FVXJHPGASAERQN-OCCSQVGLSA-N 1 0 393.329 2.681 20 0 GFADRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)c2cn(C)nc2Br)CC1 ZINC000897157790 663593644 /nfs/dbraw/zinc/59/36/44/663593644.db2.gz OGTCVNAOFDSGMY-LBPRGKRZSA-N 1 0 392.301 2.533 20 0 GFADRO OCC[N@@H+]1CCC[C@@H]2[C@H]1CCN2c1ccc(Br)c(C(F)(F)F)n1 ZINC000897221332 663595529 /nfs/dbraw/zinc/59/55/29/663595529.db2.gz LMZRVLJORXHROD-VXGBXAGGSA-N 1 0 394.235 2.898 20 0 GFADRO C[C@@H](C[NH2+]Cc1cn(C[C@H]2CCOC2)nn1)c1ccc(Br)cc1 ZINC000897470048 663607033 /nfs/dbraw/zinc/60/70/33/663607033.db2.gz XABGCAVQFSJALZ-UONOGXRCSA-N 1 0 379.302 2.970 20 0 GFADRO OCCOC1(C[NH2+][C@@H]2CCO[C@@H](C(F)(F)F)C2)CCC(C(F)F)CC1 ZINC000897541479 663609521 /nfs/dbraw/zinc/60/95/21/663609521.db2.gz SKOZIBHFFLQOBZ-DNCHLWJUSA-N 1 0 375.378 2.889 20 0 GFADRO OCCOC1(C[NH2+][C@H]2CCO[C@@H](C(F)(F)F)C2)CCC(C(F)F)CC1 ZINC000897541482 663609585 /nfs/dbraw/zinc/60/95/85/663609585.db2.gz SKOZIBHFFLQOBZ-SBEAFCBVSA-N 1 0 375.378 2.889 20 0 GFADRO O=C(N[C@@H](CO)c1ccc(Cl)cc1C(F)(F)F)[C@@]12CC[N@H+](C1)CCC2 ZINC000897630059 663614241 /nfs/dbraw/zinc/61/42/41/663614241.db2.gz WBYQFOLTKLAMKQ-HOCLYGCPSA-N 1 0 376.806 2.994 20 0 GFADRO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]C1C[C@H]2CC[C@@H](C1)S2 ZINC000897749092 663618089 /nfs/dbraw/zinc/61/80/89/663618089.db2.gz UEMSEGQUWWCDST-PBNFFQIGSA-N 1 0 389.974 2.721 20 0 GFADRO COC(=O)C[C@H]([NH2+]Cc1ncc(I)s1)C(C)(C)C ZINC000897889644 663624513 /nfs/dbraw/zinc/62/45/13/663624513.db2.gz WNUWZCKTPDJEGC-QMMMGPOBSA-N 1 0 382.267 2.815 20 0 GFADRO CO[C@H](C[NH2+][C@H]1Cc2cc(Br)cnc2NC1=O)Cc1ccccc1 ZINC000897977421 663628027 /nfs/dbraw/zinc/62/80/27/663628027.db2.gz FYLFRNNPSYQAGE-HOTGVXAUSA-N 1 0 390.281 2.555 20 0 GFADRO C[C@@H](C[NH2+][C@H]1CCN(c2cc(=O)[nH]cn2)C1)c1cccc(Br)c1 ZINC000898156904 663636355 /nfs/dbraw/zinc/63/63/55/663636355.db2.gz ZYIRNMDAZOOVAU-WFASDCNBSA-N 1 0 377.286 2.917 20 0 GFADRO O=c1ccn(CCC[NH2+]C2CC(c3ccc(Br)cc3F)C2)c(=O)[nH]1 ZINC000898330128 663643737 /nfs/dbraw/zinc/64/37/37/663643737.db2.gz OBVSNPRXWSOYMH-UHFFFAOYSA-N 1 0 396.260 2.776 20 0 GFADRO O=c1ccn(CCC[NH2+]C2CC(c3ccc(Br)cc3)C2)c(=O)[nH]1 ZINC000898328327 663643747 /nfs/dbraw/zinc/64/37/47/663643747.db2.gz KJFPVTYIMARBIV-UHFFFAOYSA-N 1 0 378.270 2.637 20 0 GFADRO CC(C)c1nc([C@@H](CO)NC(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)cs1 ZINC000898378174 663645813 /nfs/dbraw/zinc/64/58/13/663645813.db2.gz USZPXYJOBVCMIM-HUUCEWRRSA-N 1 0 383.583 2.634 20 0 GFADRO CC1([NH+]2CCCCC2)CCN(C(=O)NCc2ncc(Br)cn2)CC1 ZINC000898381498 663646025 /nfs/dbraw/zinc/64/60/25/663646025.db2.gz HPMHJKJKKPBWFD-UHFFFAOYSA-N 1 0 396.333 2.789 20 0 GFADRO C[C@H]([NH2+][C@@H](CO)c1ccccc1I)[C@@H]1CCCCO1 ZINC000898511846 663653537 /nfs/dbraw/zinc/65/35/37/663653537.db2.gz GHOOMYAULJGZFK-CQDKDKBSSA-N 1 0 375.250 2.872 20 0 GFADRO Cn1cc(C[N@@H+]2CCCC[C@H]([C@H]3CCOC3)C2)c(I)n1 ZINC000898511602 663653549 /nfs/dbraw/zinc/65/35/49/663653549.db2.gz CEGPJVGCACZVKC-STQMWFEESA-N 1 0 389.281 2.663 20 0 GFADRO C[C@@H](CCn1cccn1)[NH2+][C@H](CO)c1ccccc1I ZINC000898511975 663653857 /nfs/dbraw/zinc/65/38/57/663653857.db2.gz GMKYHKYIOMTMJB-SWLSCSKDSA-N 1 0 385.249 2.590 20 0 GFADRO CC1(C)CC[N@H+](CCNC(=O)NC2(c3ncc(Br)cn3)CCC2)C1 ZINC000898587039 663657336 /nfs/dbraw/zinc/65/73/36/663657336.db2.gz UBUFRYZWUZZALF-UHFFFAOYSA-N 1 0 396.333 2.649 20 0 GFADRO Cn1c(Cl)nc(Cl)c1C[NH2+][C@@H]1CCc2ncc(Br)n2C1 ZINC000898723948 663661136 /nfs/dbraw/zinc/66/11/36/663661136.db2.gz KOVSRTXFQTXGIR-SSDOTTSWSA-N 1 0 379.089 2.791 20 0 GFADRO CC(C)(CNC(=O)Cc1ccc(I)cc1)n1ccnc1 ZINC000898907570 663669028 /nfs/dbraw/zinc/66/90/28/663669028.db2.gz UYDGQMYHGJIKSS-UHFFFAOYSA-N 1 0 383.233 2.582 20 0 GFADRO CCC1([NH+]2CCC2)CCN(C(=O)c2ccc(I)cn2)CC1 ZINC000899554518 663693510 /nfs/dbraw/zinc/69/35/10/663693510.db2.gz ILJUUIWJRUUDND-UHFFFAOYSA-N 1 0 399.276 2.777 20 0 GFADRO Cc1cc(C(=O)N2CCC[C@H]([NH2+]C3CCOCC3)C2)cnc1Br ZINC000899927835 663702782 /nfs/dbraw/zinc/70/27/82/663702782.db2.gz SPFHXPFTKHPYFY-HNNXBMFYSA-N 1 0 382.302 2.526 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)c1cc2ncc(Br)cn2n1)c1cccs1 ZINC000899958357 663704479 /nfs/dbraw/zinc/70/44/79/663704479.db2.gz KMMUQSHTMBZNKW-GFCCVEGCSA-N 1 0 394.298 2.586 20 0 GFADRO O=C1Nc2c(cccc2Br)[C@@H]1Cc1nc(CC2CC[NH2+]CC2)no1 ZINC000900017751 663706630 /nfs/dbraw/zinc/70/66/30/663706630.db2.gz SIFZKGWFJAWCSL-LBPRGKRZSA-N 1 0 391.269 2.653 20 0 GFADRO CC(C)[NH+]1CCN(CCC(=O)N[C@@H](C)Cc2cccc(Br)c2)CC1 ZINC000900376940 663713363 /nfs/dbraw/zinc/71/33/63/663713363.db2.gz BUMSNVQZZJHCEX-INIZCTEOSA-N 1 0 396.373 2.912 20 0 GFADRO Cc1ncc(C(=O)N(CC[NH+](C)C)Cc2ccc(Br)cc2)n1C ZINC000900416730 663714323 /nfs/dbraw/zinc/71/43/23/663714323.db2.gz DAXACGCXRMPIAS-UHFFFAOYSA-N 1 0 379.302 2.695 20 0 GFADRO COc1cc(NC(=O)CCN2CC[NH+](C(C)C)CC2)ccc1Br ZINC000900925206 663725768 /nfs/dbraw/zinc/72/57/68/663725768.db2.gz WARJVJOFDXGNQN-UHFFFAOYSA-N 1 0 384.318 2.812 20 0 GFADRO Cc1ccc(F)c(Br)c1C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000900967320 663727874 /nfs/dbraw/zinc/72/78/74/663727874.db2.gz WHXYBMYZSHWBAS-CYBMUJFWSA-N 1 0 385.277 2.691 20 0 GFADRO Cc1nc(-c2cc3c(s2)CCN(C(=O)[C@@]2(C)C[C@H](O)C[N@H+]2C)C3)cs1 ZINC000901301013 663733933 /nfs/dbraw/zinc/73/39/33/663733933.db2.gz GYCDDNHSSPIAEQ-SCLBCKFNSA-N 1 0 377.535 2.520 20 0 GFADRO Cc1ccccc1NC(=O)[C@@H](C)[NH2+][C@@H]1CCc2ncc(Br)n2C1 ZINC000901728138 663743791 /nfs/dbraw/zinc/74/37/91/663743791.db2.gz LFILTSOHJLCTHC-CHWSQXEVSA-N 1 0 377.286 2.886 20 0 GFADRO O=C(NC1CC1)[C@H]([NH2+][C@@H]1CCc2ncc(Br)n2C1)c1ccccc1 ZINC000901729668 663744006 /nfs/dbraw/zinc/74/40/06/663744006.db2.gz SEFWABOIXBQLIM-RHSMWYFYSA-N 1 0 389.297 2.570 20 0 GFADRO COc1cc(Br)ccc1OCC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000902401513 663760840 /nfs/dbraw/zinc/76/08/40/663760840.db2.gz SXKLYBSWHSJDEI-UHFFFAOYSA-N 1 0 385.302 2.826 20 0 GFADRO C[N@@H+]1C[C@@H]2CN(CN3CC[C@H](c4cccc(Br)c4)C3=O)C[C@]2(C)C1 ZINC000902616819 663764542 /nfs/dbraw/zinc/76/45/42/663764542.db2.gz IQSUIERFAUYEAI-SUMDDJOVSA-N 1 0 392.341 2.606 20 0 GFADRO CC(C)(O)c1ccc(C[NH2+][C@@H]2Cc3cc(Br)cnc3NC2=O)cc1 ZINC000902693527 663766253 /nfs/dbraw/zinc/76/62/53/663766253.db2.gz HHCDXKHVAHDZIZ-OAHLLOKOSA-N 1 0 390.281 2.725 20 0 GFADRO O[C@@H](C[NH2+][C@@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21)COc1ccccc1Br ZINC000902880069 663769005 /nfs/dbraw/zinc/76/90/05/663769005.db2.gz CBJJRXLEPVMSCW-POVZDWJASA-N 1 0 382.298 2.592 20 0 GFADRO CN(C)c1cc[nH+]c(CNC(=O)c2nc(C3CC3)ncc2Br)c1 ZINC000902881978 663769061 /nfs/dbraw/zinc/76/90/61/663769061.db2.gz NYOKKTFREPQRDK-UHFFFAOYSA-N 1 0 376.258 2.508 20 0 GFADRO COc1ccc(Br)c(C(=O)NCCC[NH2+][C@@H]2CCC[C@@H]2OC)c1 ZINC000903091980 663772897 /nfs/dbraw/zinc/77/28/97/663772897.db2.gz FAPMYMCLFLMSIA-CVEARBPZSA-N 1 0 385.302 2.735 20 0 GFADRO C[C@@H]([NH2+]CC1(C(N)=O)CCCC1)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000903097705 663773592 /nfs/dbraw/zinc/77/35/92/663773592.db2.gz IPEREUSPHXJNHD-LLVKDONJSA-N 1 0 378.416 2.676 20 0 GFADRO Brc1ccc(CN2CCC([NH2+][C@H]3CCO[C@]34CCOC4)CC2)cc1 ZINC000903112520 663774186 /nfs/dbraw/zinc/77/41/86/663774186.db2.gz HCXKYEWCOXKSLL-OALUTQOASA-N 1 0 395.341 2.951 20 0 GFADRO C[C@H](C[C@H](C)[NH2+]CC1CCC(S(C)(=O)=O)CC1)NC(=O)OC(C)(C)C ZINC000903154319 663776266 /nfs/dbraw/zinc/77/62/66/663776266.db2.gz LAISXKYSOMCHBN-QRNKSROTSA-N 1 0 376.563 2.871 20 0 GFADRO COC[C@H]([NH2+][C@@H](C)c1cccc(S(=O)(=O)C(F)(F)F)c1)[C@H]1CCCO1 ZINC000903157851 663776277 /nfs/dbraw/zinc/77/62/77/663776277.db2.gz BQUFMGRNECMRHT-TUKIKUTGSA-N 1 0 381.416 2.825 20 0 GFADRO COC[C@H]([NH2+][C@H](C)c1cccc(S(=O)(=O)C(F)(F)F)c1)[C@H]1CCCO1 ZINC000903157849 663776333 /nfs/dbraw/zinc/77/63/33/663776333.db2.gz BQUFMGRNECMRHT-BYCMXARLSA-N 1 0 381.416 2.825 20 0 GFADRO Clc1cc(I)ccc1C[NH2+][C@@H]1CCO[C@]12CCOC2 ZINC000903167751 663776768 /nfs/dbraw/zinc/77/67/68/663776768.db2.gz PBIJBRWTEXLLTI-KGLIPLIRSA-N 1 0 393.652 2.982 20 0 GFADRO CN1C[C@@H](CC[NH2+][C@@H]2CCc3ccc(I)cc32)CC1=O ZINC000903211198 663778603 /nfs/dbraw/zinc/77/86/03/663778603.db2.gz RQAHEAIBGBZXAR-XHDPSFHLSA-N 1 0 384.261 2.737 20 0 GFADRO CS(C)(=O)=NS(=O)(=O)CC[NH2+][C@@H]1CCCCc2ccc(Cl)cc21 ZINC000903229798 663779592 /nfs/dbraw/zinc/77/95/92/663779592.db2.gz PQOCJDHHYQAAPW-OAHLLOKOSA-N 1 0 378.947 2.755 20 0 GFADRO C[C@H]([NH2+][C@H]1CCCN2CCSC[C@@H]12)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000903270277 663780917 /nfs/dbraw/zinc/78/09/17/663780917.db2.gz CKTSTJCOFXLYFJ-RCBQFDQVSA-N 1 0 390.521 2.913 20 0 GFADRO C[C@@H]([NH2+][C@H]1Cc2cc(Br)cnc2NC1=O)C1(Br)CC1 ZINC000903324656 663781888 /nfs/dbraw/zinc/78/18/88/663781888.db2.gz IKDSAGQUVQHCKU-XCBNKYQSSA-N 1 0 389.091 2.613 20 0 GFADRO Cn1nnnc1CCC[NH2+][C@H](c1ccc(Br)cc1)c1cccnc1 ZINC000903351659 663782436 /nfs/dbraw/zinc/78/24/36/663782436.db2.gz NUBRRJFEGCTOQP-QGZVFWFLSA-N 1 0 387.285 2.679 20 0 GFADRO COc1ccc([C@@H](C)[NH2+][C@H]2CCN(c3cc(=O)[nH]cn3)C2)cc1Br ZINC000903398096 663783762 /nfs/dbraw/zinc/78/37/62/663783762.db2.gz QSSGZCKRNRYRKJ-YPMHNXCESA-N 1 0 393.285 2.883 20 0 GFADRO COc1ncc([C@H](C)[NH2+]Cc2cccc(N(C)S(C)(=O)=O)c2)cc1Cl ZINC000903424584 663784413 /nfs/dbraw/zinc/78/44/13/663784413.db2.gz YQXYLFDMEMCVCN-LBPRGKRZSA-N 1 0 383.901 2.990 20 0 GFADRO Cc1noc(C2CCC([NH2+][C@H]3CCc4ncc(Br)n4C3)CC2)n1 ZINC000903477529 663785301 /nfs/dbraw/zinc/78/53/01/663785301.db2.gz ANLMGVCXSUDKHD-BPCQOVAHSA-N 1 0 380.290 2.968 20 0 GFADRO C[C@@H]([NH2+][C@@H]1CCc2ncc(Br)n2C1)C1(NC(=O)OC(C)(C)C)CC1 ZINC000903480112 663785529 /nfs/dbraw/zinc/78/55/29/663785529.db2.gz NZHPENWISAHEBC-VXGBXAGGSA-N 1 0 399.333 2.996 20 0 GFADRO CC1(C)C[NH2+]CC[C@H]1NS(=O)(=O)Cc1cccc(Cl)c1Br ZINC000903521999 663787096 /nfs/dbraw/zinc/78/70/96/663787096.db2.gz LGCKJEUUQBCRBF-GFCCVEGCSA-N 1 0 395.750 2.910 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CN1CC[C@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000903534086 663787634 /nfs/dbraw/zinc/78/76/34/663787634.db2.gz KBASSJKXGQJJDH-RYUDHWBXSA-N 1 0 394.235 2.908 20 0 GFADRO O=S(=O)(c1cc(Cl)sc1Cl)N1CC[NH2+]CCC12CCOCC2 ZINC000903546569 663788193 /nfs/dbraw/zinc/78/81/93/663788193.db2.gz APFWWDRNXVJFQV-UHFFFAOYSA-N 1 0 385.338 2.588 20 0 GFADRO [NH3+]CC1([C@H]2CCCCN2S(=O)(=O)c2c(Cl)nc3sccn32)CCC1 ZINC000903546463 663788200 /nfs/dbraw/zinc/78/82/00/663788200.db2.gz KCUWCRSMAXQMAB-LLVKDONJSA-N 1 0 388.946 2.721 20 0 GFADRO COc1ccc(S(=O)(=O)NC2(C3CC[NH2+]CC3)CC2)c(Cl)c1Cl ZINC000903556903 663788482 /nfs/dbraw/zinc/78/84/82/663788482.db2.gz LLUORNVJWDAYEX-UHFFFAOYSA-N 1 0 379.309 2.813 20 0 GFADRO C[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2Br)C[C@H]1CC[NH3+] ZINC000903556208 663788531 /nfs/dbraw/zinc/78/85/31/663788531.db2.gz RBFQUSUOOWACRA-NXEZZACHSA-N 1 0 381.723 2.708 20 0 GFADRO O=S(=O)(NC1(C2CC[NH2+]CC2)CC1)c1ccc(OC(F)F)c(Cl)c1 ZINC000903556499 663788604 /nfs/dbraw/zinc/78/86/04/663788604.db2.gz BGQGWMJKVRDIJU-UHFFFAOYSA-N 1 0 380.844 2.752 20 0 GFADRO O=S(=O)(NC1(C2CC[NH2+]CC2)CC1)c1cc(Cl)ccc1Br ZINC000903558273 663788684 /nfs/dbraw/zinc/78/86/84/663788684.db2.gz OPFLQKZIMKKKBU-UHFFFAOYSA-N 1 0 393.734 2.913 20 0 GFADRO C[NH2+]C[C@@H]1CCCCN1S(=O)(=O)c1cc(Cl)ccc1O[C@H](C)COC ZINC000903575455 663789644 /nfs/dbraw/zinc/78/96/44/663789644.db2.gz PRAAGODEUPGFHJ-HIFRSBDPSA-N 1 0 390.933 2.516 20 0 GFADRO C[NH2+]C[C@@H]1CCCCN1S(=O)(=O)c1cc(Cl)ccc1O[C@@H](C)COC ZINC000903575456 663789662 /nfs/dbraw/zinc/78/96/62/663789662.db2.gz PRAAGODEUPGFHJ-ZFWWWQNUSA-N 1 0 390.933 2.516 20 0 GFADRO CC(C)([NH3+])c1noc(CN2CCCC[C@@H]2c2ncc(Br)cn2)n1 ZINC000903577285 663789770 /nfs/dbraw/zinc/78/97/70/663789770.db2.gz JIFARFGDXIWTCL-LLVKDONJSA-N 1 0 381.278 2.543 20 0 GFADRO [NH3+][C@H]1CN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC[C@H]1C(F)(F)F ZINC000903577431 663789773 /nfs/dbraw/zinc/78/97/73/663789773.db2.gz KQORPMPJPFWZNZ-MNOVXSKESA-N 1 0 376.322 2.606 20 0 GFADRO Clc1cnc(N2CCN(C[C@@H]3CC4(CO3)CC[NH2+]CC4)CC2)c(Cl)c1 ZINC000903732042 663805488 /nfs/dbraw/zinc/80/54/88/663805488.db2.gz CEUYWOSLOWEUFT-HNNXBMFYSA-N 1 0 385.339 2.669 20 0 GFADRO CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C1(C[NH3+])CCOCC1 ZINC000903805045 663807247 /nfs/dbraw/zinc/80/72/47/663807247.db2.gz LHVCMFJFVUTIME-UHFFFAOYSA-N 1 0 379.810 2.737 20 0 GFADRO COCC[C@@H]1C[NH2+]CCN1CC(=O)Nc1c(Cl)cc(Cl)cc1Cl ZINC000903831910 663807895 /nfs/dbraw/zinc/80/78/95/663807895.db2.gz NPOXPURPIXRBND-LLVKDONJSA-N 1 0 380.703 2.896 20 0 GFADRO CS(=O)(=O)c1ccc(-c2nc(CN3CC[C@H]4CC[C@]43C[NH3+])cs2)cc1 ZINC000903856095 663809065 /nfs/dbraw/zinc/80/90/65/663809065.db2.gz PWHYDTUFSAQESZ-KDOFPFPSSA-N 1 0 377.535 2.527 20 0 GFADRO Brc1cccc2c1CN(Cc1cnnn1[C@@H]1CCC[NH2+]C1)CC2 ZINC000903894872 663810406 /nfs/dbraw/zinc/81/04/06/663810406.db2.gz GXLUWAGOWYOYGP-CQSZACIVSA-N 1 0 376.302 2.523 20 0 GFADRO C[N@@H+]1CC[C@@H](Cc2nc(Cc3cc4c(cc3Br)OCO4)no2)C1 ZINC000903994712 663816193 /nfs/dbraw/zinc/81/61/93/663816193.db2.gz KOCFLGITCBKSQE-JTQLQIEISA-N 1 0 380.242 2.646 20 0 GFADRO COc1ccc(Cc2noc([C@H]3[C@@H]4CC[NH2+]C[C@@H]43)n2)c(Br)c1OC ZINC000904102970 663824554 /nfs/dbraw/zinc/82/45/54/663824554.db2.gz JMIBHXJTDHDAPK-SUNKGSAMSA-N 1 0 394.269 2.763 20 0 GFADRO C[C@H](CNC(=O)N(O)Cc1cc(Cl)cc(Cl)c1)C[NH+]1CCN(C)CC1 ZINC000904171030 663826941 /nfs/dbraw/zinc/82/69/41/663826941.db2.gz IDVJEUDXTJQVIV-CYBMUJFWSA-N 1 0 389.327 2.778 20 0 GFADRO COc1cc(NC(=O)N2CC[C@@H]3CC[C@]32C[NH3+])cc(OC)c1Br ZINC000904404787 663832840 /nfs/dbraw/zinc/83/28/40/663832840.db2.gz FUFVSFYRGDWFKJ-QFYYESIMSA-N 1 0 384.274 2.811 20 0 GFADRO Cc1ccc(I)cc1NC(=O)N1CC[C@@H]2CC[C@@]21C[NH3+] ZINC000904424694 663833710 /nfs/dbraw/zinc/83/37/10/663833710.db2.gz KDTHEKBPFXSDBC-XHDPSFHLSA-N 1 0 385.249 2.945 20 0 GFADRO COCC[C@H]1C[NH2+]CCN1C(=O)Nc1c(F)cc(F)cc1Br ZINC000904430557 663833864 /nfs/dbraw/zinc/83/38/64/663833864.db2.gz JLVDZRKXUGBWEG-JTQLQIEISA-N 1 0 378.217 2.570 20 0 GFADRO Cc1nc(-c2ccc(Br)cc2)nn1CN1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1 ZINC000904436937 663834259 /nfs/dbraw/zinc/83/42/59/663834259.db2.gz PFFTWZJGCZLCNT-QAPCUYQASA-N 1 0 390.329 2.857 20 0 GFADRO COCCOc1ccc(NC(=O)N[C@H]2CCC[C@H]([NH3+])C2)cc1Br ZINC000904548131 663837268 /nfs/dbraw/zinc/83/72/68/663837268.db2.gz JOEFWABKSOLRBY-RYUDHWBXSA-N 1 0 386.290 2.866 20 0 GFADRO COCCOc1ccc(NC(=O)N2CCC(C[NH3+])CC2)cc1Br ZINC000904550058 663837431 /nfs/dbraw/zinc/83/74/31/663837431.db2.gz ACRVRGGBLIFQBW-UHFFFAOYSA-N 1 0 386.290 2.677 20 0 GFADRO C[C@]1(c2nc(Cc3nc4ccc(Br)cc4c(=O)[nH]3)no2)CCC[NH2+]1 ZINC000904665367 663839823 /nfs/dbraw/zinc/83/98/23/663839823.db2.gz MUJKEGCXZGOERH-MRXNPFEDSA-N 1 0 390.241 2.670 20 0 GFADRO CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N1CCC(C(C)(C)C[NH3+])CC1 ZINC000904948122 663848224 /nfs/dbraw/zinc/84/82/24/663848224.db2.gz WGZDXPJEMWNIDO-UHFFFAOYSA-N 1 0 385.961 2.974 20 0 GFADRO C[C@@H]1C[C@@H]([NH2+]C[C@H](O)c2ccc(Cl)c(Cl)c2)C(=O)N1c1cnn(C)c1 ZINC000905144451 663855134 /nfs/dbraw/zinc/85/51/34/663855134.db2.gz JFKWGVYASWZELO-GTTSAUCSSA-N 1 0 383.279 2.544 20 0 GFADRO CS[C@H](C)C[NH2+]C[C@H](O)c1ccc2c(c1)CN(C(=O)C(F)(F)F)CC2 ZINC000905182062 663857012 /nfs/dbraw/zinc/85/70/12/663857012.db2.gz VMLGUHJWLXCUPQ-ABAIWWIYSA-N 1 0 376.444 2.508 20 0 GFADRO CCn1c2ccc(Br)cc2nc1C[NH2+]C[C@H](O)CC1(O)CCCC1 ZINC000905229205 663860724 /nfs/dbraw/zinc/86/07/24/663860724.db2.gz HPMJJESHHSQMJJ-CQSZACIVSA-N 1 0 396.329 2.964 20 0 GFADRO O[C@@H](C[NH2+]Cc1cnn(-c2ccc(Br)cc2)c1)CC1(O)CCCC1 ZINC000905238928 663861634 /nfs/dbraw/zinc/86/16/34/663861634.db2.gz YFGOAHQCEVGBBO-QGZVFWFLSA-N 1 0 394.313 2.781 20 0 GFADRO CCOC(=O)C1CCC(O)(C[C@H](O)C[NH2+]CC[C@]2(C)CC2(Cl)Cl)CC1 ZINC000905279802 663863665 /nfs/dbraw/zinc/86/36/65/663863665.db2.gz NDVOLYVFCCDZDU-OBKBAYEDSA-N 1 0 396.355 2.785 20 0 GFADRO CC[C@H](C[NH2+]C[C@@H](O)C1(S(=O)(=O)NC(C)(C)C)CCC1)CC(F)(F)F ZINC000905284290 663863867 /nfs/dbraw/zinc/86/38/67/663863867.db2.gz ASFGEQSZNIRLSN-QWHCGFSZSA-N 1 0 388.496 2.556 20 0 GFADRO O=S(=O)(CCCc1nc(CC2CC[NH2+]CC2)no1)c1ccc(Cl)cc1 ZINC000905310509 663865344 /nfs/dbraw/zinc/86/53/44/663865344.db2.gz XWRGZRFMXNYVSJ-UHFFFAOYSA-N 1 0 383.901 2.672 20 0 GFADRO CCC[NH+]1CCC(NC(=O)c2cc(Br)cn(C3CC3)c2=O)CC1 ZINC000905316721 663865632 /nfs/dbraw/zinc/86/56/32/663865632.db2.gz UJKRVGOAAYGSDM-UHFFFAOYSA-N 1 0 382.302 2.550 20 0 GFADRO O=C(c1ccc(Cl)cc1)C1CCN(S(=O)(=O)CC2CC[NH2+]CC2)CC1 ZINC000905333941 663866188 /nfs/dbraw/zinc/86/61/88/663866188.db2.gz MXVWJJOOHQBXFI-UHFFFAOYSA-N 1 0 384.929 2.564 20 0 GFADRO CC1(C)C[NH2+][C@@H]1C1CCN(S(=O)(=O)c2cc(Cl)cnc2Cl)CC1 ZINC000905357296 663867252 /nfs/dbraw/zinc/86/72/52/663867252.db2.gz VLQSMHSUUBXYPV-CYBMUJFWSA-N 1 0 378.325 2.787 20 0 GFADRO CC1(C)C[NH2+][C@H]1C1CCN(S(=O)(=O)c2cc(Cl)cnc2Cl)CC1 ZINC000905357297 663867323 /nfs/dbraw/zinc/86/73/23/663867323.db2.gz VLQSMHSUUBXYPV-ZDUSSCGKSA-N 1 0 378.325 2.787 20 0 GFADRO O=C(NCC[NH+]1CCCC1)c1ccc(Cn2cc(Br)cn2)s1 ZINC000905381254 663868537 /nfs/dbraw/zinc/86/85/37/663868537.db2.gz QERDRKVVCDBZPA-UHFFFAOYSA-N 1 0 383.315 2.581 20 0 GFADRO C[C@@H]1C[C@]2(CC[C@@H](C[NH2+]C[C@H](O)c3ccc(F)c(Br)c3)O2)CO1 ZINC000905489340 663873860 /nfs/dbraw/zinc/87/38/60/663873860.db2.gz ZODSPDMBPBXTFA-NYUZSIGZSA-N 1 0 388.277 2.938 20 0 GFADRO CN1C[C@H](CC[NH2+]C[C@](C)(O)c2ccc(Br)cc2Cl)CC1=O ZINC000905525831 663876304 /nfs/dbraw/zinc/87/63/04/663876304.db2.gz RMVFNQUTBPZWDN-BZNIZROVSA-N 1 0 389.721 2.768 20 0 GFADRO CC(C)(C)n1cc(C[NH2+]C[C@H](O)c2ccc(Cl)cc2Cl)c(=O)[nH]c1=O ZINC000905529285 663876573 /nfs/dbraw/zinc/87/65/73/663876573.db2.gz MOTNOQQMNLOMLB-AWEZNQCLSA-N 1 0 386.279 2.834 20 0 GFADRO O[C@H](C[NH2+]CC1(C2(O)CCOCC2)CC1)COc1c(Cl)cccc1Cl ZINC000905550160 663878121 /nfs/dbraw/zinc/87/81/21/663878121.db2.gz FCFZMCGPZWIJNX-CYBMUJFWSA-N 1 0 390.307 2.644 20 0 GFADRO CC(C)(C[NH2+]CCC(=O)Nc1cccc(C(F)(F)F)c1)CS(C)(=O)=O ZINC000905576266 663879212 /nfs/dbraw/zinc/87/92/12/663879212.db2.gz DQKNWMHYKVQMBJ-UHFFFAOYSA-N 1 0 380.432 2.694 20 0 GFADRO O[C@@H](C[NH2+]C[C@H]1CCN1C1CCOCC1)COc1cc(Cl)cc(Cl)c1 ZINC000905619435 663881743 /nfs/dbraw/zinc/88/17/43/663881743.db2.gz MTLGQICOTYEMJK-SJORKVTESA-N 1 0 389.323 2.576 20 0 GFADRO COC(=O)[C@@H]1C[C@@H]2C[C@H]([NH2+]CCC(=O)Nc3ccc(Br)cc3)[C@@H]2C1 ZINC000905653877 663883966 /nfs/dbraw/zinc/88/39/66/663883966.db2.gz LRKAVESKCMHGPA-BHTHQVBYSA-N 1 0 395.297 2.955 20 0 GFADRO OCCC1CC([NH2+]C[C@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000905667764 663884886 /nfs/dbraw/zinc/88/48/86/663884886.db2.gz DAGBZQPKNJNGEL-GDKBPFBDSA-N 1 0 378.694 2.593 20 0 GFADRO CN(c1cccc(C[NH2+]C[C@@H](O)c2ccc(F)cc2Cl)c1)S(C)(=O)=O ZINC000905697642 663887255 /nfs/dbraw/zinc/88/72/55/663887255.db2.gz BRYRVSHBALZIGR-QGZVFWFLSA-N 1 0 386.876 2.698 20 0 GFADRO O=c1c2c(ncn1Cc1cc(Br)c3ccccc3c1)CC[NH2+]CC2 ZINC000905733580 663889402 /nfs/dbraw/zinc/88/94/02/663889402.db2.gz DQKWPENIRSUBFO-UHFFFAOYSA-N 1 0 384.277 2.896 20 0 GFADRO NC(=O)[C@@H]([NH2+]C[C@H]1CCC2(CCOCC2)CO1)c1cccc(Br)c1 ZINC000905779884 663892027 /nfs/dbraw/zinc/89/20/27/663892027.db2.gz FAXGYODVAVDELW-CVEARBPZSA-N 1 0 397.313 2.541 20 0 GFADRO CC[C@@](O)(Cn1cc([C@@H]([NH3+])c2ccc(Br)cc2)nn1)C(F)(F)F ZINC000905827778 663894071 /nfs/dbraw/zinc/89/40/71/663894071.db2.gz KKWNRPMKDIXFOH-QWHCGFSZSA-N 1 0 393.207 2.792 20 0 GFADRO [NH3+]C1CCN(Cc2cn(Cc3cccc(Cl)c3Br)nn2)CC1 ZINC000905833329 663894883 /nfs/dbraw/zinc/89/48/83/663894883.db2.gz NYWSGOTYKDZJSU-UHFFFAOYSA-N 1 0 384.709 2.665 20 0 GFADRO CC[NH+](CC)[C@@H](CNC(=O)c1nnn(C)c1C(F)(F)F)c1ccsc1 ZINC000906130421 663928196 /nfs/dbraw/zinc/92/81/96/663928196.db2.gz ZTKXZBKMLYBKIY-NSHDSACASA-N 1 0 375.420 2.708 20 0 GFADRO COCC[NH+]1CCC(NC(=O)Cc2sc(C)cc2Br)CC1 ZINC000906415776 663946535 /nfs/dbraw/zinc/94/65/35/663946535.db2.gz KIUYUWWSQZLDMQ-UHFFFAOYSA-N 1 0 375.332 2.589 20 0 GFADRO COC(=O)c1nc(C(=O)Nc2cccc(C[NH+]3CCSCC3)c2)cs1 ZINC000906456859 663949848 /nfs/dbraw/zinc/94/98/48/663949848.db2.gz MCAVJDGQGRKNTB-UHFFFAOYSA-N 1 0 377.491 2.731 20 0 GFADRO O=C(c1cc(Br)cn(C2CC2)c1=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000906619377 663961095 /nfs/dbraw/zinc/96/10/95/663961095.db2.gz OPDBQRYFQVBWFD-OAHLLOKOSA-N 1 0 394.313 2.646 20 0 GFADRO C[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(Cn3cc(Br)cn3)s2)C1 ZINC000906621551 663961310 /nfs/dbraw/zinc/96/13/10/663961310.db2.gz DQQOXELKVPTDCV-LBPRGKRZSA-N 1 0 397.342 2.827 20 0 GFADRO Cc1cc(Br)c(CC(=O)NCC2([NH+](C)C)CCOCC2)s1 ZINC000906696561 663965637 /nfs/dbraw/zinc/96/56/37/663965637.db2.gz HLFXUCRSWYZAOG-UHFFFAOYSA-N 1 0 375.332 2.589 20 0 GFADRO CC[NH+]1CCC(CCNC(=O)c2nscc2I)CC1 ZINC000906806068 663972664 /nfs/dbraw/zinc/97/26/64/663972664.db2.gz HBJHWUUXWMAGTP-UHFFFAOYSA-N 1 0 393.294 2.600 20 0 GFADRO CC[NH+](CC)[C@@H]1CCN(C(=O)c2cc(Br)cn(C3CC3)c2=O)C1 ZINC000906848835 663976510 /nfs/dbraw/zinc/97/65/10/663976510.db2.gz QBKIZAIOTFPDGG-CQSZACIVSA-N 1 0 382.302 2.502 20 0 GFADRO O=S(=O)(c1c[nH]c2ncc(Cl)cc12)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000906996403 663990298 /nfs/dbraw/zinc/99/02/98/663990298.db2.gz QHPMLTNQOYWIJH-ZDUSSCGKSA-N 1 0 382.917 2.713 20 0 GFADRO C[N@H+](CC1CC1)C[C@@H]1CCN(S(=O)(=O)c2c[nH]c3ncc(Cl)cc23)C1 ZINC000907015106 663992839 /nfs/dbraw/zinc/99/28/39/663992839.db2.gz YPKDMYLZICSHFT-ZDUSSCGKSA-N 1 0 382.917 2.569 20 0 GFADRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cc(Br)cn(C3CC3)c2=O)C1 ZINC000907066249 663999167 /nfs/dbraw/zinc/99/91/67/663999167.db2.gz TWUGKKYPZGQQIN-MLGOLLRUSA-N 1 0 394.313 2.502 20 0 GFADRO O=C(C[C@H](O)C(Cl)(Cl)Cl)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000907212470 664012455 /nfs/dbraw/zinc/01/24/55/664012455.db2.gz SFZGWRVDKFUNHX-ZDUSSCGKSA-N 1 0 380.703 2.535 20 0 GFADRO O=S(=O)(Cc1ccc(F)c(Cl)c1)NC1CC[NH+](C2CCOCC2)CC1 ZINC000907328782 664023764 /nfs/dbraw/zinc/02/37/64/664023764.db2.gz QPMFULOOWZCLMY-UHFFFAOYSA-N 1 0 390.908 2.542 20 0 GFADRO C[C@@H](CCNC(=O)c1cc(Br)cn(C2CC2)c1=O)[NH+]1CCCCC1 ZINC000907342191 664025484 /nfs/dbraw/zinc/02/54/84/664025484.db2.gz WNWLOLCEVQYYEM-ZDUSSCGKSA-N 1 0 396.329 2.940 20 0 GFADRO Cc1ccc(C[N@H+]2CC[C@H](CN(C)S(=O)(=O)[C@@H]3CCOC[C@H]3C)C2)s1 ZINC000907346976 664026555 /nfs/dbraw/zinc/02/65/55/664026555.db2.gz QCWYLZUSRDAYMV-QGPMSJSTSA-N 1 0 386.583 2.565 20 0 GFADRO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)S(=O)(=O)c3ccc(N)cc3)C2)s1 ZINC000907347597 664026806 /nfs/dbraw/zinc/02/68/06/664026806.db2.gz TXRIKIGMUCWFLN-HNNXBMFYSA-N 1 0 379.551 2.781 20 0 GFADRO Cc1cc(S(=O)(=O)N(C)C[C@H]2CC[N@H+](Cc3ccc(C)s3)C2)sn1 ZINC000907348195 664027327 /nfs/dbraw/zinc/02/73/27/664027327.db2.gz ZTXSUXSIHDPZPM-CQSZACIVSA-N 1 0 385.580 2.964 20 0 GFADRO C[N@@H+]1CCC[C@](O)(CC(=O)N[C@H]2C[C@H](c3ccc(F)c(Br)c3)C2)C1 ZINC000907938028 664072738 /nfs/dbraw/zinc/07/27/38/664072738.db2.gz IDEYVVHJBRZXIA-DEYYWGMASA-N 1 0 399.304 2.797 20 0 GFADRO Cc1c(C(=O)N2CC[C@H]([NH+](C)C)[C@H]2C)nnn1-c1ccccc1Br ZINC000908413452 664104994 /nfs/dbraw/zinc/10/49/94/664104994.db2.gz LGZVXXQTHWBKIY-RISCZKNCSA-N 1 0 392.301 2.503 20 0 GFADRO C[NH+](C)CCn1nccc1C(=O)N1CCc2c(F)ccc(Br)c2C1 ZINC000908508471 664111437 /nfs/dbraw/zinc/11/14/37/664111437.db2.gz QCHKELBADKGPMK-UHFFFAOYSA-N 1 0 395.276 2.545 20 0 GFADRO CC(C)[NH2+]C1(CO)CCN(C(=O)c2cc3c(cccc3Br)[nH]2)CC1 ZINC000908593436 664116076 /nfs/dbraw/zinc/11/60/76/664116076.db2.gz VJKZQARFCRLVNU-UHFFFAOYSA-N 1 0 394.313 2.896 20 0 GFADRO CC(C)[NH2+]C1(CO)CCN(C(=O)c2c(F)cc(Br)cc2F)CC1 ZINC000908597989 664116351 /nfs/dbraw/zinc/11/63/51/664116351.db2.gz OSZYOUZMNLCKLA-UHFFFAOYSA-N 1 0 391.256 2.692 20 0 GFADRO CC(C)[NH2+]C1(CO)CCN(C(=O)[C@H](C)c2ccc(Br)s2)CC1 ZINC000908598886 664116373 /nfs/dbraw/zinc/11/63/73/664116373.db2.gz ZZTMLRBZSINYAG-GFCCVEGCSA-N 1 0 389.359 2.966 20 0 GFADRO Cc1cc(Br)ccc1CC(=O)N1CCC(CO)([NH2+]C(C)C)CC1 ZINC000908601349 664116769 /nfs/dbraw/zinc/11/67/69/664116769.db2.gz ITIBQRUUKAUSJX-UHFFFAOYSA-N 1 0 383.330 2.652 20 0 GFADRO CC[N@@H+]1CCCN(C(=O)c2c(C)nc3ccc(Br)cn32)[C@H](C)C1 ZINC000910274049 664204044 /nfs/dbraw/zinc/20/40/44/664204044.db2.gz MHQCCTWTOUJPJH-GFCCVEGCSA-N 1 0 379.302 2.962 20 0 GFADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCc2[nH]cnc2[C@@H]1c1ccc(Br)cc1 ZINC000911249714 664240130 /nfs/dbraw/zinc/24/01/30/664240130.db2.gz NMPGJNIFIAFMFN-WBVHZDCISA-N 1 0 389.297 2.741 20 0 GFADRO COc1cc(CNC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)c(Br)cc1O ZINC000911605954 664250108 /nfs/dbraw/zinc/25/01/08/664250108.db2.gz JNMYBTFPHGOGSG-GXTWGEPZSA-N 1 0 383.286 2.796 20 0 GFADRO COc1cc(CNC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)c(Br)cc1O ZINC000911605957 664250144 /nfs/dbraw/zinc/25/01/44/664250144.db2.gz JNMYBTFPHGOGSG-TZMCWYRMSA-N 1 0 383.286 2.796 20 0 GFADRO C[C@@H](NC(=O)[C@@H](C)c1ccc(I)cc1)[C@H]1CCC[NH2+]C1 ZINC000911727642 664254431 /nfs/dbraw/zinc/25/44/31/664254431.db2.gz YLPRARCFEOUCGG-SCRDCRAPSA-N 1 0 386.277 2.899 20 0 GFADRO Nc1ccc(NC(=O)C2(c3ccc(Br)cc3)CC[NH2+]CC2)cn1 ZINC000911752622 664255138 /nfs/dbraw/zinc/25/51/38/664255138.db2.gz QMFAQSPZPPOMRH-UHFFFAOYSA-N 1 0 375.270 2.686 20 0 GFADRO C[C@@H]([NH3+])C1CCN(C(=O)c2cc3ccc(Br)cc3c(=O)o2)CC1 ZINC000911753366 664255348 /nfs/dbraw/zinc/25/53/48/664255348.db2.gz NVRRXNWPVTTYJH-SNVBAGLBSA-N 1 0 379.254 2.755 20 0 GFADRO COc1ccc(Br)cc1[C@H](N)C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000911812314 664256875 /nfs/dbraw/zinc/25/68/75/664256875.db2.gz XCCIBVKPHPFWQX-KRWDZBQOSA-N 1 0 390.281 2.742 20 0 GFADRO O=C(N1CCC([NH2+]CC2CC2)CC1)C(F)(F)c1ncccc1Br ZINC000911840851 664258446 /nfs/dbraw/zinc/25/84/46/664258446.db2.gz MBTVMBLXJFBLLM-UHFFFAOYSA-N 1 0 388.256 2.927 20 0 GFADRO COc1ccc(Cl)cc1C(F)(F)C(=O)N1CCC(OCCC[NH3+])CC1 ZINC000911875136 664260238 /nfs/dbraw/zinc/26/02/38/664260238.db2.gz JFLHOFJVOOBTGA-UHFFFAOYSA-N 1 0 376.831 2.797 20 0 GFADRO Cc1cc(I)ccc1NC(=O)c1cc2n(n1)CCC[C@@H]2[NH3+] ZINC000911920165 664261958 /nfs/dbraw/zinc/26/19/58/664261958.db2.gz VRDPMDGHKKLCBS-NSHDSACASA-N 1 0 396.232 2.842 20 0 GFADRO C[NH+]1CCC(N(CCO)C(=O)CCC(=O)c2cc(Cl)sc2Cl)CC1 ZINC000911940587 664262867 /nfs/dbraw/zinc/26/28/67/664262867.db2.gz SAHOTXAMCSUZJW-UHFFFAOYSA-N 1 0 393.336 2.933 20 0 GFADRO CCN(CC)S(=O)(=O)c1cc(NC(=O)C2=CCC[NH2+]CC2)ccc1Cl ZINC000911993881 664265243 /nfs/dbraw/zinc/26/52/43/664265243.db2.gz WGOGHKKZNKASPN-UHFFFAOYSA-N 1 0 385.917 2.619 20 0 GFADRO CC(C)[C@@H](NC(=O)c1cc(Br)cn(CC[NH3+])c1=O)c1ccccc1 ZINC000912115783 664271049 /nfs/dbraw/zinc/27/10/49/664271049.db2.gz OVCWSRRSLDOEPQ-MRXNPFEDSA-N 1 0 392.297 2.697 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)C(F)(F)c2ncccc2Br)C1 ZINC000912298290 664280978 /nfs/dbraw/zinc/28/09/78/664280978.db2.gz UNYLSUKEACTFJG-JTQLQIEISA-N 1 0 376.245 2.925 20 0 GFADRO [NH3+]CCN1CCC[C@@H](C(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)C1=O ZINC000912394373 664284660 /nfs/dbraw/zinc/28/46/60/664284660.db2.gz NNWRPORIQFIWMV-CZUORRHYSA-N 1 0 384.307 2.854 20 0 GFADRO C[C@H](CCNC(=O)c1ccc(Cn2cc(Br)cn2)s1)[NH+](C)C ZINC000912388414 664284664 /nfs/dbraw/zinc/28/46/64/664284664.db2.gz WGUSYYGZEFFUGC-LLVKDONJSA-N 1 0 385.331 2.825 20 0 GFADRO Cc1cc(NC(=O)[C@@H]2C[C@H]([NH3+])[C@H]3C[C@H]32)n(-c2cccc(Br)c2)n1 ZINC000912486917 664289998 /nfs/dbraw/zinc/28/99/98/664289998.db2.gz FGKHFOSMVKUELM-BARDWOONSA-N 1 0 375.270 2.865 20 0 GFADRO CSCC[C@@H]([NH3+])C(=O)Nc1cc(C)nn1-c1cccc(Br)c1 ZINC000912488631 664290249 /nfs/dbraw/zinc/29/02/49/664290249.db2.gz UDWOQNPPGFWPOA-CYBMUJFWSA-N 1 0 383.315 2.962 20 0 GFADRO O=C(N1CCOC[C@@H]1c1cccc(Br)c1)[C@@]12CC[N@H+](C1)CCC2 ZINC000912511590 664291188 /nfs/dbraw/zinc/29/11/88/664291188.db2.gz ULYKROPHMQMEHI-AEFFLSMTSA-N 1 0 379.298 2.835 20 0 GFADRO Cc1cccc(CC(=O)N2CCC(CO)([NH2+]CC(C)C)CC2)c1Br ZINC000912583079 664293862 /nfs/dbraw/zinc/29/38/62/664293862.db2.gz BIJCYZRHZKGZPR-UHFFFAOYSA-N 1 0 397.357 2.899 20 0 GFADRO Cc1ccc(C(=O)N2CCC(CO)([NH2+]CC(C)C)CC2)cc1Br ZINC000912588249 664294241 /nfs/dbraw/zinc/29/42/41/664294241.db2.gz KXYRTCNRUBKTOR-UHFFFAOYSA-N 1 0 383.330 2.970 20 0 GFADRO CC(C)C[NH2+]C1(CO)CCN(C(=O)Cc2cccc(Br)c2)CC1 ZINC000912592157 664294409 /nfs/dbraw/zinc/29/44/09/664294409.db2.gz XIIXGRQYTRDXOB-UHFFFAOYSA-N 1 0 383.330 2.591 20 0 GFADRO Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N(C)CC[N@H+](C)CCO ZINC000912610257 664294798 /nfs/dbraw/zinc/29/47/98/664294798.db2.gz BQECNVIZRDNIHR-UHFFFAOYSA-N 1 0 386.279 2.953 20 0 GFADRO C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N1CCC([NH+]2CCC2)CC1 ZINC000912880725 664307274 /nfs/dbraw/zinc/30/72/74/664307274.db2.gz HOLICTQOSCRNTB-GFCCVEGCSA-N 1 0 384.307 2.808 20 0 GFADRO O=C(c1cnn(-c2ccccc2)c1Br)N1CC[C@H]([NH+]2CCC2)C1 ZINC000912911584 664309994 /nfs/dbraw/zinc/30/99/94/664309994.db2.gz LFCCYAGLWLSMDD-AWEZNQCLSA-N 1 0 375.270 2.555 20 0 GFADRO C[C@@H]1C[C@H](c2ccc(Br)cc2)CN1C(=O)[C@@]1(C)C[C@@H](O)C[N@@H+]1C ZINC000913173325 664327764 /nfs/dbraw/zinc/32/77/64/664327764.db2.gz AAQAPCGSBFMHMV-DPHWQOANSA-N 1 0 381.314 2.609 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)N1CCC(CO)(C(F)(F)F)CC1)c1cccs1 ZINC000913874445 664362881 /nfs/dbraw/zinc/36/28/81/664362881.db2.gz GUBAESNGJLJQAP-LBPRGKRZSA-N 1 0 379.448 2.697 20 0 GFADRO CC(C)[NH+]1CCC(NC(=O)NC2(c3ncc(Br)cn3)CCC2)CC1 ZINC000913881199 664363058 /nfs/dbraw/zinc/36/30/58/664363058.db2.gz ONUJPBHICQTXLY-UHFFFAOYSA-N 1 0 396.333 2.790 20 0 GFADRO O=S(=O)(Cc1ccsc1Br)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000913926682 664366074 /nfs/dbraw/zinc/36/60/74/664366074.db2.gz JWQAFFPGTYJLFR-NWDGAFQWSA-N 1 0 379.345 2.557 20 0 GFADRO CCO[C@H](CNC(=O)NCc1ccc(-c2csc(C)n2)s1)C[NH+](C)C ZINC000913945567 664367714 /nfs/dbraw/zinc/36/77/14/664367714.db2.gz QTQAKCCLWPPTHI-CYBMUJFWSA-N 1 0 382.555 2.946 20 0 GFADRO CC(C)C[NH+]1CCC(NC(=O)N(C)Cc2ncc(Br)cn2)CC1 ZINC000913990718 664370739 /nfs/dbraw/zinc/37/07/39/664370739.db2.gz VLNRBTCCUMBTAQ-UHFFFAOYSA-N 1 0 384.322 2.501 20 0 GFADRO O=S(=O)(C[C@@]12CC[N@H+](C1)CCC2)N(Cc1ccsc1)c1cccnc1 ZINC000914040481 664373080 /nfs/dbraw/zinc/37/30/80/664373080.db2.gz CYGWPWMKHXGZDP-SFHVURJKSA-N 1 0 377.535 2.965 20 0 GFADRO CN(CC1CC[NH+](C)CC1)S(=O)(=O)Cc1ccc(F)cc1Br ZINC000914062818 664373800 /nfs/dbraw/zinc/37/38/00/664373800.db2.gz MNCXDHLXTUZKPI-UHFFFAOYSA-N 1 0 393.322 2.692 20 0 GFADRO CC(C)OCC[NH+]1CCC(NS(=O)(=O)c2cscc2C(F)F)CC1 ZINC000914218277 664386866 /nfs/dbraw/zinc/38/68/66/664386866.db2.gz UZCJXZSFRQEDAQ-UHFFFAOYSA-N 1 0 382.498 2.853 20 0 GFADRO O=S(=O)(NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1cscc1C(F)F ZINC000914263563 664392136 /nfs/dbraw/zinc/39/21/36/664392136.db2.gz UCNVRPIICFOMLI-KBPBESRZSA-N 1 0 394.509 2.732 20 0 GFADRO Cc1sc(C)c(S(=O)(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)c1C ZINC000914262857 664392144 /nfs/dbraw/zinc/39/21/44/664392144.db2.gz CHQFSCGDXSERCE-SJORKVTESA-N 1 0 386.583 2.720 20 0 GFADRO C[N@@H+]1CCC[C@H]1CNC(=O)N1CCCC[C@@H]1c1ncc(Br)cn1 ZINC000914391241 664406133 /nfs/dbraw/zinc/40/61/33/664406133.db2.gz FMHIIXVOUDGVOM-UONOGXRCSA-N 1 0 382.306 2.570 20 0 GFADRO O=C(/C=C\c1ccc(I)o1)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000915634151 664436304 /nfs/dbraw/zinc/43/63/04/664436304.db2.gz RYXFCSQVXKQLGH-XHSUHYBKSA-N 1 0 386.233 2.640 20 0 GFADRO COc1ccc([C@@H](CNC(=O)NC[C@H]2CC2(Cl)Cl)[NH+](C)C)cc1OC ZINC000915898063 664443758 /nfs/dbraw/zinc/44/37/58/664443758.db2.gz QBKBQMRQUKSDKC-CHWSQXEVSA-N 1 0 390.311 2.800 20 0 GFADRO C[N@@H+]1CCC[C@H](CCNS(=O)(=O)Cc2ccsc2Br)C1 ZINC000916266118 664455408 /nfs/dbraw/zinc/45/54/08/664455408.db2.gz XCROKHAMKPJWQJ-LLVKDONJSA-N 1 0 381.361 2.662 20 0 GFADRO CO[C@@H]1CC[N@@H+]([C@@H]2CCC[C@@H]2N(C)S(=O)(=O)c2cscc2C(F)F)C1 ZINC000918242755 664497295 /nfs/dbraw/zinc/49/72/95/664497295.db2.gz DOZWJOFEBNKONU-KWCYVHTRSA-N 1 0 394.509 2.948 20 0 GFADRO C[N@@H+]1CCC[C@](O)(CC(=O)NCc2cc3cc(Br)ccc3o2)C1 ZINC000918448988 664499177 /nfs/dbraw/zinc/49/91/77/664499177.db2.gz QRMLTFQMRSTRJL-KRWDZBQOSA-N 1 0 381.270 2.658 20 0 GFADRO C[N@@H+]1CCN(CCCNC(=O)c2scnc2Cl)[C@@H](c2ccccc2)C1 ZINC000919713829 664517043 /nfs/dbraw/zinc/51/70/43/664517043.db2.gz YPALELYNZGGTCO-OAHLLOKOSA-N 1 0 378.929 2.905 20 0 GFADRO C[C@@H]1C[NH+](CCCNC(=O)c2sc(N3CCCC3)nc2Cl)C[C@@H](C)O1 ZINC000920275864 664524268 /nfs/dbraw/zinc/52/42/68/664524268.db2.gz ACKGHYOKYKWODL-CHWSQXEVSA-N 1 0 386.949 2.626 20 0 GFADRO C[C@H]1C[NH+](CCCNC(=O)c2sc(N3CCCC3)nc2Cl)C[C@H](C)O1 ZINC000920275867 664524304 /nfs/dbraw/zinc/52/43/04/664524304.db2.gz ACKGHYOKYKWODL-STQMWFEESA-N 1 0 386.949 2.626 20 0 GFADRO S=C(NNc1cncc(Cl)n1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000920309877 664524804 /nfs/dbraw/zinc/52/48/04/664524804.db2.gz QUUJRHITKBXHFV-UHFFFAOYSA-N 1 0 376.917 2.586 20 0 GFADRO C[NH+](C)Cc1ccc(S(=O)(=O)N2CC[C@]3(CC(F)(F)C3(F)F)C2)cc1 ZINC000920722458 664529423 /nfs/dbraw/zinc/52/94/23/664529423.db2.gz DUCDGQANMLFVSK-AWEZNQCLSA-N 1 0 380.407 2.803 20 0 GFADRO C[NH+](C)CCCOC(=O)C1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000921233250 664539634 /nfs/dbraw/zinc/53/96/34/664539634.db2.gz NMAZZYCMQFONJH-UHFFFAOYSA-N 1 0 397.313 2.796 20 0 GFADRO C[NH+](C)CC[C@@H](NS(=O)(=O)Cc1cc(Cl)ccc1F)c1cccnc1 ZINC000921481582 664550105 /nfs/dbraw/zinc/55/01/05/664550105.db2.gz OJWBJLIZKZTYKD-QGZVFWFLSA-N 1 0 385.892 2.987 20 0 GFADRO CCn1c(C[NH2+]C[C@@H]2CCCOC2)nc(Br)c1Br ZINC000921575116 664554531 /nfs/dbraw/zinc/55/45/31/664554531.db2.gz OWUCRMHNZHAJGT-VIFPVBQESA-N 1 0 381.112 2.944 20 0 GFADRO Cn1nc2c(c1C[NH2+][C@@H]1CCN(c3ccc(Br)cc3)C1)COCC2 ZINC000921671851 664560210 /nfs/dbraw/zinc/56/02/10/664560210.db2.gz DQHNMMNTTMXLQB-CQSZACIVSA-N 1 0 391.313 2.624 20 0 GFADRO Cc1cc(C[NH2+][C@H](C)CCS(C)(=O)=O)c(C)cc1I ZINC000921849226 664572014 /nfs/dbraw/zinc/57/20/14/664572014.db2.gz OUXFXPKSWWESEN-GFCCVEGCSA-N 1 0 395.306 2.821 20 0 GFADRO COc1cc(Br)cc(CNC(=O)N[C@H](C)C2=CC[N@H+](C)CC2)c1 ZINC000921882159 664574821 /nfs/dbraw/zinc/57/48/21/664574821.db2.gz YBLUHWFTPROAPP-GFCCVEGCSA-N 1 0 382.302 2.907 20 0 GFADRO Cc1nc(CNCc2ccnc(OCC[NH+](C)C)c2)sc1Br ZINC000921940884 664577610 /nfs/dbraw/zinc/57/76/10/664577610.db2.gz AMGPKBDQHNEMMV-UHFFFAOYSA-N 1 0 385.331 2.839 20 0 GFADRO Cc1cccc(C[NH2+][C@@H]2CCO[C@]3(CCS(=O)(=O)C3)C2)c1Br ZINC000921969537 664579589 /nfs/dbraw/zinc/57/95/89/664579589.db2.gz MMEQDEZIACJZQN-GDBMZVCRSA-N 1 0 388.327 2.583 20 0 GFADRO O=S(=O)(NCCC[NH2+][C@@H]1CC[C@@H]2COCC[C@H]2C1)c1ccccc1Cl ZINC000922091828 664585471 /nfs/dbraw/zinc/58/54/71/664585471.db2.gz MOXAPQDHHXIMQY-ARFHVFGLSA-N 1 0 386.945 2.803 20 0 GFADRO Cn1nc2c(c1C[NH2+][C@@H](c1cncc(Br)c1)C1CC1)COCC2 ZINC000922113019 664586420 /nfs/dbraw/zinc/58/64/20/664586420.db2.gz IOMQRMXPUAMUKC-QGZVFWFLSA-N 1 0 377.286 2.891 20 0 GFADRO CC[N@H+](CCNC(=O)NC[C@@H]1CC[C@@H](C(F)(F)F)O1)CCC(F)(F)F ZINC000922188247 664589596 /nfs/dbraw/zinc/58/95/96/664589596.db2.gz TXUJZKBLOZGAAD-QWRGUYRKSA-N 1 0 379.345 2.670 20 0 GFADRO CCn1c(C[NH2+]C[C@@H](CO)CC2CC2)nc(Br)c1Br ZINC000922250836 664591819 /nfs/dbraw/zinc/59/18/19/664591819.db2.gz SXSHSDWXLYIRJK-JTQLQIEISA-N 1 0 395.139 2.926 20 0 GFADRO CC(C)(C)n1cc(C[NH2+]Cc2ccc(Br)c(F)c2)c(=O)[nH]c1=O ZINC000922496847 664604177 /nfs/dbraw/zinc/60/41/77/664604177.db2.gz DIFBYBRTXOKQLY-UHFFFAOYSA-N 1 0 384.249 2.895 20 0 GFADRO OC1(C[NH2+]Cc2c(F)ccc(Br)c2F)CCC2(CC1)OCCO2 ZINC000922621193 664608698 /nfs/dbraw/zinc/60/86/98/664608698.db2.gz IXIFEKNMFZIQHR-UHFFFAOYSA-N 1 0 392.240 2.865 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+]CC[C@@H]2CC[C@H](C(F)(F)F)O2)cc1Cl ZINC000922676351 664610479 /nfs/dbraw/zinc/61/04/79/664610479.db2.gz JMCXLWKJDMPUKL-GXFFZTMASA-N 1 0 386.823 2.577 20 0 GFADRO Brc1ccc(-c2c[nH]c(C[NH2+]C[C@@H]3C[C@@H]4COC[C@@H]4O3)n2)cc1 ZINC000922725076 664612257 /nfs/dbraw/zinc/61/22/57/664612257.db2.gz LINMZKLDJUWSCT-INWMFGNUSA-N 1 0 378.270 2.733 20 0 GFADRO O=C1C[C@@H](CC[NH2+]Cc2ccc(OC(F)(F)F)c(Br)c2)CN1 ZINC000922782358 664614252 /nfs/dbraw/zinc/61/42/52/664614252.db2.gz IDDFAMCDXSPBNG-SNVBAGLBSA-N 1 0 381.192 2.964 20 0 GFADRO Brc1cc(C[NH2+]CC2CC3(C2)OCCO3)cc2c1OCCCO2 ZINC000922800331 664614762 /nfs/dbraw/zinc/61/47/62/664614762.db2.gz VLNLGZSIIJNJDE-UHFFFAOYSA-N 1 0 384.270 2.853 20 0 GFADRO O=C(NC1CC1)c1ccc(C[NH2+]CC2(n3cc(Br)cn3)CC2)cc1 ZINC000922801524 664614912 /nfs/dbraw/zinc/61/49/12/664614912.db2.gz AMDOPZBTZWYCFO-UHFFFAOYSA-N 1 0 389.297 2.817 20 0 GFADRO C[N@H+](CCCCNC(=O)N1CCC[C@H]1c1ncc(Br)cn1)C1CC1 ZINC000922809091 664615283 /nfs/dbraw/zinc/61/52/83/664615283.db2.gz LEIUDWPNIJLFFJ-HNNXBMFYSA-N 1 0 396.333 2.960 20 0 GFADRO Cn1nccc1[C@@H](O)C[NH2+]Cc1cc(Br)c(Br)s1 ZINC000922974617 664620359 /nfs/dbraw/zinc/62/03/59/664620359.db2.gz LFXNNISNUFWUBC-JTQLQIEISA-N 1 0 395.120 2.830 20 0 GFADRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)N2CCc3cc(Br)c(F)cc3C2)C1 ZINC000923117363 664622382 /nfs/dbraw/zinc/62/23/82/664622382.db2.gz BRCUFIOIWQYDIO-VDISTLRHSA-N 1 0 384.293 2.996 20 0 GFADRO C[NH2+]C[C@H]1CCCN(C[C@@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000923283914 664627466 /nfs/dbraw/zinc/62/74/66/664627466.db2.gz ZFMUZAUWQGHCRU-TZMCWYRMSA-N 1 0 391.737 2.774 20 0 GFADRO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)c1cc(Br)c2c(c1)OCCO2 ZINC000923295217 664627726 /nfs/dbraw/zinc/62/77/26/664627726.db2.gz XHMBKTGYHQHFPL-QWHCGFSZSA-N 1 0 381.270 2.529 20 0 GFADRO O[C@@H](COc1ccc(Cl)cc1Cl)CN1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000923349831 664628814 /nfs/dbraw/zinc/62/88/14/664628814.db2.gz WVOIMCPDOCTPMS-NVXWUHKLSA-N 1 0 382.291 2.775 20 0 GFADRO C(CN1CC[NH2+]CCN(CCC2SCCS2)CC1)C1SCCS1 ZINC000923395531 664629588 /nfs/dbraw/zinc/62/95/88/664629588.db2.gz SWSRLPQALAHSKO-UHFFFAOYSA-N 1 0 393.713 2.586 20 0 GFADRO Cc1ccc(Cl)c(OC[C@H](O)CN2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)c1 ZINC000923400289 664629903 /nfs/dbraw/zinc/62/99/03/664629903.db2.gz ABMNAGIVSRSEPO-MCIONIFRSA-N 1 0 380.838 2.847 20 0 GFADRO OCC[NH2+][C@@H]1CCCN(Cc2ncc(-c3ccccc3Br)o2)C1 ZINC000923406444 664630033 /nfs/dbraw/zinc/63/00/33/664630033.db2.gz LYPLQGVBCYYDIF-CYBMUJFWSA-N 1 0 380.286 2.650 20 0 GFADRO CN(C)Cc1csc(CNC(=O)N[C@@H]2[C@H]3Cc4c(cccc4Cl)[C@@H]23)n1 ZINC000923455318 664630911 /nfs/dbraw/zinc/63/09/11/664630911.db2.gz SMRIEPOLTQZVER-IAOVAPTHSA-N 1 0 376.913 2.996 20 0 GFADRO C[NH+](C)CC[C@@H](NC(=O)NCc1ccc(Br)cn1)c1cccnc1 ZINC000923918916 664639934 /nfs/dbraw/zinc/63/99/34/664639934.db2.gz ARLRIBJRTOHSEV-MRXNPFEDSA-N 1 0 392.301 2.731 20 0 GFADRO C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)NCc1cc(C(F)(F)F)ccc1Br ZINC000923960568 664641737 /nfs/dbraw/zinc/64/17/37/664641737.db2.gz KPNSOIWGGDMCCJ-BXUZGUMPSA-N 1 0 395.219 2.539 20 0 GFADRO COc1nc(C)c(Br)cc1-c1noc([C@H]2C[N@@H+]3CCC[C@@H]3CO2)n1 ZINC000924046730 664645516 /nfs/dbraw/zinc/64/55/16/664645516.db2.gz NBZBKMICIQGLAL-ZWNOBZJWSA-N 1 0 395.257 2.747 20 0 GFADRO COCC[N@@H+]1CC[C@H](N2C(=O)[C@@H](c3cccc(Cl)c3Cl)N(C)C2=O)C1 ZINC000924598903 664658809 /nfs/dbraw/zinc/65/88/09/664658809.db2.gz HMHFXMCULYAZBD-XHDPSFHLSA-N 1 0 386.279 2.649 20 0 GFADRO C[C@H]([NH2+]Cc1cc(Br)ccc1F)C1CCN(S(C)(=O)=O)CC1 ZINC000924613617 664658957 /nfs/dbraw/zinc/65/89/57/664658957.db2.gz OAKJRKPOTFQWOS-NSHDSACASA-N 1 0 393.322 2.738 20 0 GFADRO C[C@@H]([NH2+][C@H](C)C1CCN(S(C)(=O)=O)CC1)c1cccc(OC(F)F)c1 ZINC000924674001 664659397 /nfs/dbraw/zinc/65/93/97/664659397.db2.gz KODZFOHDYAWEGB-CHWSQXEVSA-N 1 0 376.469 2.999 20 0 GFADRO C[C@@H]([NH2+]CC1(c2cccc(Br)c2)CCOCC1)c1cnnn1C ZINC000924821878 664662273 /nfs/dbraw/zinc/66/22/73/664662273.db2.gz RNSZLWRDMGKFHZ-CYBMUJFWSA-N 1 0 379.302 2.977 20 0 GFADRO Cc1csc([C@@H]2CCCN(C(=O)N[C@H]3CCC[N@@H+]4CCSC[C@@H]34)C2)n1 ZINC000925151572 664667470 /nfs/dbraw/zinc/66/74/70/664667470.db2.gz KEWYLBFLEQNBND-PMPSAXMXSA-N 1 0 380.583 2.920 20 0 GFADRO CN(C[C@@H]1OCCc2sccc21)C(=O)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000925169857 664667888 /nfs/dbraw/zinc/66/78/88/664667888.db2.gz LQPIPTPCUCWHMU-JYJNAYRXSA-N 1 0 381.567 2.583 20 0 GFADRO CN1CCO[C@H](C[NH2+][C@H](c2ccc(Br)cc2)c2cccnc2)C1 ZINC000925355185 664670927 /nfs/dbraw/zinc/67/09/27/664670927.db2.gz UOWJGMXYAUBUNF-QZTJIDSGSA-N 1 0 376.298 2.854 20 0 GFADRO CC(C)n1cc(Br)c(C(=O)N2CCN(c3cc[nH+]cc3)C[C@@H]2C)n1 ZINC000925504752 664672673 /nfs/dbraw/zinc/67/26/73/664672673.db2.gz MQDXSLBIOUHKRK-ZDUSSCGKSA-N 1 0 392.301 2.972 20 0 GFADRO COc1ccnc([C@H](C)[NH2+]C[C@@H](O)COc2ccccc2Br)c1 ZINC000925545053 664672992 /nfs/dbraw/zinc/67/29/92/664672992.db2.gz WLWOXRSICHJKQW-QWHCGFSZSA-N 1 0 381.270 2.943 20 0 GFADRO O[C@H](C[NH2+][C@H](C1CC1)[C@@H]1CCCOC1)COc1ccccc1Br ZINC000925544713 664673020 /nfs/dbraw/zinc/67/30/20/664673020.db2.gz UUVCQJFXKIHTKK-IIDMSEBBSA-N 1 0 384.314 2.984 20 0 GFADRO C[C@@H]([NH2+]CCN(C)S(=O)(=O)c1cccs1)c1ccnn1CC1CCC1 ZINC000925577855 664673313 /nfs/dbraw/zinc/67/33/13/664673313.db2.gz XOUBJOPISUEBFY-CQSZACIVSA-N 1 0 382.555 2.716 20 0 GFADRO Cc1nc(-c2ccccc2)sc1[C@@H](C)[NH2+]CC[C@H]1CNCCS1(=O)=O ZINC000925791313 664674698 /nfs/dbraw/zinc/67/46/98/664674698.db2.gz FGOMTHPLOHLJBC-CJNGLKHVSA-N 1 0 379.551 2.546 20 0 GFADRO [NH3+][C@]1(CO)CCCN(C(=O)Nc2ccc(Br)cc2C(F)(F)F)C1 ZINC000925966598 664678372 /nfs/dbraw/zinc/67/83/72/664678372.db2.gz VRTQZRBEXXDSAP-CYBMUJFWSA-N 1 0 396.207 2.785 20 0 GFADRO [NH3+]CC[C@H]1CCN(C(=O)Nc2cnc(Br)c(Br)c2)C1 ZINC000926060248 664680316 /nfs/dbraw/zinc/68/03/16/664680316.db2.gz DLFOXGQXGDIYQC-QMMMGPOBSA-N 1 0 392.095 2.809 20 0 GFADRO [NH3+]CC[C@@H]1CCN(C(=O)Nc2ccn(-c3ccc(Br)cc3)n2)C1 ZINC000926126295 664682351 /nfs/dbraw/zinc/68/23/51/664682351.db2.gz PPMIKNZIYMBSHH-GFCCVEGCSA-N 1 0 378.274 2.837 20 0 GFADRO [NH3+][C@H]1CN(C(=O)Nc2ncc(C3CCOCC3)s2)CC[C@H]1C(F)(F)F ZINC000926134303 664682536 /nfs/dbraw/zinc/68/25/36/664682536.db2.gz XDZNWDGCKBJOGH-MNOVXSKESA-N 1 0 378.420 2.781 20 0 GFADRO Cc1cc(Br)nc(NC(=O)N2CCC3(CO[C@H](C[NH3+])C3)CC2)c1 ZINC000926137056 664682574 /nfs/dbraw/zinc/68/25/74/664682574.db2.gz ROXNTLABIXLINU-LBPRGKRZSA-N 1 0 383.290 2.514 20 0 GFADRO Cc1nc(Cl)c(Cl)cc1C(=O)N[C@@H]1C[C@]2(C[N@@H+](C)[C@H]2C(C)C)C[C@H]1O ZINC000926150756 664683033 /nfs/dbraw/zinc/68/30/33/664683033.db2.gz NPLGKMDNKVFBHN-ZXFNITATSA-N 1 0 386.323 2.906 20 0 GFADRO [NH3+]CC[C@@H](NC(=O)N1CCc2cc(Br)c(F)cc2C1)C(F)(F)F ZINC000926167819 664683601 /nfs/dbraw/zinc/68/36/01/664683601.db2.gz CENKEWZDJBTCHT-GFCCVEGCSA-N 1 0 398.198 2.936 20 0 GFADRO C[C@@H]1CN(C(=O)Nc2ccc(I)cc2F)CC[C@H]1C[NH3+] ZINC000926174407 664683967 /nfs/dbraw/zinc/68/39/67/664683967.db2.gz RFIXRDYAYQDDGX-ZJUUUORDSA-N 1 0 391.228 2.879 20 0 GFADRO C[C@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)C(=O)N1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000926301863 664687396 /nfs/dbraw/zinc/68/73/96/664687396.db2.gz BGFODZVOAJCFEO-YRGRVCCFSA-N 1 0 386.323 2.956 20 0 GFADRO Cc1ccoc1[C@H](Cc1ccccc1Cl)[NH2+]C[C@@]1(O)CCS(=O)(=O)C1 ZINC000926508239 664691025 /nfs/dbraw/zinc/69/10/25/664691025.db2.gz QCVIXCRROMHKGW-WMZOPIPTSA-N 1 0 383.897 2.664 20 0 GFADRO COC[C@H](C[NH2+][C@H](C)C1CCN(S(C)(=O)=O)CC1)c1ccc(Cl)cc1 ZINC000926520556 664691354 /nfs/dbraw/zinc/69/13/54/664691354.db2.gz RJDFWYKVHKIILU-PBHICJAKSA-N 1 0 388.961 2.720 20 0 GFADRO COc1ccc(Br)cc1C[C@@H](CO)C[NH2+][C@H](C)c1ccnnc1 ZINC000926541852 664691893 /nfs/dbraw/zinc/69/18/93/664691893.db2.gz KMLGWWAWIVQODR-CHWSQXEVSA-N 1 0 380.286 2.750 20 0 GFADRO C[C@@H]([NH2+]CCN1CCC(NC(=O)OC(C)(C)C)CC1)C1(Br)CC1 ZINC000926889968 664698665 /nfs/dbraw/zinc/69/86/65/664698665.db2.gz SKVKPICUNZBICT-CYBMUJFWSA-N 1 0 390.366 2.881 20 0 GFADRO CCC[C@H](O)CC[NH2+][C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000927016304 664702249 /nfs/dbraw/zinc/70/22/49/664702249.db2.gz ILCYHDRZDIQQEZ-GXTWGEPZSA-N 1 0 376.316 2.808 20 0 GFADRO COc1ccc(S(=O)(=O)N2CCC([NH2+][C@H]3CCS[C@@H](C)C3)CC2)cc1 ZINC000927029289 664702550 /nfs/dbraw/zinc/70/25/50/664702550.db2.gz CJVWPHVSHHZHAK-HOCLYGCPSA-N 1 0 384.567 2.722 20 0 GFADRO Cn1nccc1[C@H](O)C[NH2+][C@@H](c1cccc(Br)c1)[C@H]1CCOC1 ZINC000927126026 664704959 /nfs/dbraw/zinc/70/49/59/664704959.db2.gz JHSKZFPLOXELBQ-XKQJLSEDSA-N 1 0 380.286 2.583 20 0 GFADRO Cn1nnc2c1C[C@H]([NH2+][C@H]1CCCOc3c(Br)cccc31)CC2 ZINC000927152760 664705294 /nfs/dbraw/zinc/70/52/94/664705294.db2.gz VOCVNGVMZLAWFA-RISCZKNCSA-N 1 0 377.286 2.938 20 0 GFADRO CCOc1ccc(N2C(=O)N[C@H](C[NH+]3CCCCC3)C2=O)cc1Br ZINC000927215292 664705878 /nfs/dbraw/zinc/70/58/78/664705878.db2.gz CQSBJIHINZZKDO-CQSZACIVSA-N 1 0 396.285 2.759 20 0 GFADRO Cn1cc(CNC(=O)c2oc3ccccc3c2C[NH+](C)C)c(Br)n1 ZINC000927628442 664712349 /nfs/dbraw/zinc/71/23/49/664712349.db2.gz RGDOTXWOHVSOMQ-UHFFFAOYSA-N 1 0 391.269 2.920 20 0 GFADRO CN(C)c1cc[nH+]c(CNC(=O)[C@]2(C)CC2(Br)Br)c1 ZINC000927694957 664714169 /nfs/dbraw/zinc/71/41/69/664714169.db2.gz LDKYTQOTOVWJKC-LBPRGKRZSA-N 1 0 391.107 2.660 20 0 GFADRO CSc1cc(Cl)ccc1NC(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000927840863 664716420 /nfs/dbraw/zinc/71/64/20/664716420.db2.gz DXWONYVUCRUTQP-UWVGGRQHSA-N 1 0 395.834 2.739 20 0 GFADRO CSc1ccc(NC(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@@H]([NH3+])C2)cc1Cl ZINC000927849012 664716798 /nfs/dbraw/zinc/71/67/98/664716798.db2.gz MNOTZAXXNMSSRA-ONGXEEELSA-N 1 0 395.834 2.739 20 0 GFADRO O=C(Cc1sccc1Br)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000928079631 664721844 /nfs/dbraw/zinc/72/18/44/664721844.db2.gz JIPIXCVOKSUUOA-RYUDHWBXSA-N 1 0 375.357 2.749 20 0 GFADRO C[C@@H]1[C@H](NC(=O)c2c(F)ccc(I)c2Cl)CC[N@@H+]1C ZINC000928428713 664732358 /nfs/dbraw/zinc/73/23/58/664732358.db2.gz SPAMWCUMOQQLHU-GMSGAONNSA-N 1 0 396.631 2.906 20 0 GFADRO C[C@@H]1[C@@H](NC(=O)c2cc(Br)nn2-c2ncccc2Cl)CC[N@@H+]1C ZINC000928428481 664732403 /nfs/dbraw/zinc/73/24/03/664732403.db2.gz RPQNUKJYIQOPDD-KOLCDFICSA-N 1 0 398.692 2.506 20 0 GFADRO C[C@@H]1[C@@H](NC(=O)c2ccc(I)cc2Cl)CC[N@@H+]1C ZINC000928449650 664732805 /nfs/dbraw/zinc/73/28/05/664732805.db2.gz RUBUVWXLBYSIQH-PELKAZGASA-N 1 0 378.641 2.767 20 0 GFADRO C[N@@H+]1CC[C@H]1CNC(=O)C1(Cc2ccc(F)cc2Br)CCOCC1 ZINC000928555207 664735002 /nfs/dbraw/zinc/73/50/02/664735002.db2.gz NKQVGBCQECQYDB-HNNXBMFYSA-N 1 0 399.304 2.748 20 0 GFADRO C[NH+](C)CC[C@H](NC(=O)C(=O)c1ccc(Br)s1)c1cccnc1 ZINC000928830087 664740536 /nfs/dbraw/zinc/74/05/36/664740536.db2.gz HXWALLXFCCNAMY-LBPRGKRZSA-N 1 0 396.310 2.898 20 0 GFADRO O=S(=O)(NC1CC[NH+](C[C@H]2C[C@@H]3[C@H](C2)C3(F)F)CC1)c1cccs1 ZINC000929155804 664747158 /nfs/dbraw/zinc/74/71/58/664747158.db2.gz FXDRDSPXHDGGEM-UBSAEIQESA-N 1 0 376.494 2.782 20 0 GFADRO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1cc(=O)[nH]cc1Br ZINC000929185843 664748064 /nfs/dbraw/zinc/74/80/64/664748064.db2.gz LAWIYJULMCTVQC-UHFFFAOYSA-N 1 0 390.281 2.944 20 0 GFADRO CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C[C@H](O)CCC1(O)CCC1 ZINC000929247580 664748869 /nfs/dbraw/zinc/74/88/69/664748869.db2.gz SVUOKGRFDRPNMF-CYBMUJFWSA-N 1 0 375.296 2.920 20 0 GFADRO C[N@@H+]1CCCC[C@@H](CNC(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)C1 ZINC000929306190 664749789 /nfs/dbraw/zinc/74/97/89/664749789.db2.gz WPCDCCHSMHACRV-LBPRGKRZSA-N 1 0 375.441 2.536 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000929771245 664757552 /nfs/dbraw/zinc/75/75/52/664757552.db2.gz MTIKYNAEPZJVKA-HOTGVXAUSA-N 1 0 382.302 2.820 20 0 GFADRO COCC(COC)[NH+]1CCC(C(=O)Nc2ccccc2Br)CC1 ZINC000929950911 664760216 /nfs/dbraw/zinc/76/02/16/664760216.db2.gz NWWOQXJKIPXICU-UHFFFAOYSA-N 1 0 385.302 2.761 20 0 GFADRO O=C(Nc1ccccc1Br)C1CC[NH+](CCO[C@H]2CCOC2)CC1 ZINC000929950633 664760242 /nfs/dbraw/zinc/76/02/42/664760242.db2.gz LPKQDIREHHAYCD-HNNXBMFYSA-N 1 0 397.313 2.905 20 0 GFADRO C[C@H]1[C@H](NC(=O)Nc2cc(F)c(F)cc2I)CC[N@@H+]1C ZINC000930256545 664765516 /nfs/dbraw/zinc/76/55/16/664765516.db2.gz PQOVZTNWSXTWBG-WRWORJQWSA-N 1 0 395.191 2.784 20 0 GFADRO C[N@@H+]1C[C@@H]2CCN(C(=O)Nc3ccc(F)cc3I)[C@@H]2C1 ZINC000930271513 664765825 /nfs/dbraw/zinc/76/58/25/664765825.db2.gz VYNKLLSZEZJQNS-TVQRCGJNSA-N 1 0 389.212 2.598 20 0 GFADRO Cc1cc(Br)ncc1NC(=O)N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000930320758 664766983 /nfs/dbraw/zinc/76/69/83/664766983.db2.gz SORGFRGWUMDSPV-WCQYABFASA-N 1 0 385.331 2.854 20 0 GFADRO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)c1cc2ccc(Br)cc2c(=O)o1 ZINC000930367733 664768430 /nfs/dbraw/zinc/76/84/30/664768430.db2.gz FQQJTROIOHGKMC-LLVKDONJSA-N 1 0 391.265 2.770 20 0 GFADRO O[C@@H](CCC1(O)CCC1)C[NH+]1CCN(c2cccc(Br)c2)CC1 ZINC000930376161 664768828 /nfs/dbraw/zinc/76/88/28/664768828.db2.gz LXFNQTWIVXWNIW-KRWDZBQOSA-N 1 0 383.330 2.627 20 0 GFADRO CS(=O)(=O)C[C@H]1CC[N@H+](CCCCOc2ccc(Br)cc2)C1 ZINC000930552050 664773041 /nfs/dbraw/zinc/77/30/41/664773041.db2.gz FBVTYXBUBBTMQN-AWEZNQCLSA-N 1 0 390.343 2.975 20 0 GFADRO COc1cc(Br)cc(NC(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)c1 ZINC000930604498 664774126 /nfs/dbraw/zinc/77/41/26/664774126.db2.gz GVESRHHQGHNOOM-CVEARBPZSA-N 1 0 398.301 2.521 20 0 GFADRO CN(C(=O)Nc1ccc(S(C)(=O)=O)c(C(F)F)c1)[C@@H]1CCC[N@H+](C)C1 ZINC000930727093 664777312 /nfs/dbraw/zinc/77/73/12/664777312.db2.gz QXLIAXZTKZTMMX-GFCCVEGCSA-N 1 0 375.441 2.586 20 0 GFADRO CCO[C@H](CNC(=O)Nc1cnc(Cl)c(Br)c1C)C[NH+](C)C ZINC000930831309 664779302 /nfs/dbraw/zinc/77/93/02/664779302.db2.gz CWCBCBAFMAJJFC-SNVBAGLBSA-N 1 0 393.713 2.894 20 0 GFADRO CN1CCN(C(=O)Nc2ccc(Cl)cc2OC(F)F)CC[N@H+](C)CC1 ZINC000930847013 664779498 /nfs/dbraw/zinc/77/94/98/664779498.db2.gz RZBUCNRSGSPFII-UHFFFAOYSA-N 1 0 376.835 2.653 20 0 GFADRO Cc1cccc(NC(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)c1Br ZINC000930884581 664780076 /nfs/dbraw/zinc/78/00/76/664780076.db2.gz FVMBRABRKOQCOV-HUUCEWRRSA-N 1 0 382.302 2.820 20 0 GFADRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)C[C@@H]2C(=O)Nc3ccc(Br)cc32)C1 ZINC000930944951 664781731 /nfs/dbraw/zinc/78/17/31/664781731.db2.gz HGBRWWTVGBGRIP-WFASDCNBSA-N 1 0 394.313 2.721 20 0 GFADRO CC[NH+](CC)C[C@H]1CCN(C(=O)Nc2ccc(Cl)c(S(C)(=O)=O)c2)C1 ZINC000931041628 664783806 /nfs/dbraw/zinc/78/38/06/664783806.db2.gz IUJAGDMRPWFDHV-CYBMUJFWSA-N 1 0 387.933 2.939 20 0 GFADRO COC(=O)c1cccc(NC(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)c1Br ZINC000931085990 664785110 /nfs/dbraw/zinc/78/51/10/664785110.db2.gz DJPQZJGPWDDPGQ-IINYFYTJSA-N 1 0 396.285 2.840 20 0 GFADRO C[NH+](C)C[C@H]1COC2(CCCC2)CN1Cc1ccc(Br)nc1N ZINC000931089063 664785345 /nfs/dbraw/zinc/78/53/45/664785345.db2.gz QLUQEVCRXQZZSM-AWEZNQCLSA-N 1 0 383.334 2.502 20 0 GFADRO COc1c(C)[nH]cc(C[N@H+](C)CCOc2cccc(Br)c2)c1=O ZINC000931321372 664791460 /nfs/dbraw/zinc/79/14/60/664791460.db2.gz BJZZNNBCWQMEEX-UHFFFAOYSA-N 1 0 381.270 2.965 20 0 GFADRO Cn1cc(C2=NC[C@H](C[NH2+][C@H](CCO)c3cc(Cl)cc(Cl)c3)O2)cn1 ZINC000931331552 664792019 /nfs/dbraw/zinc/79/20/19/664792019.db2.gz SFEZAIPZEGUZNC-JKSUJKDBSA-N 1 0 383.279 2.586 20 0 GFADRO CCOc1ccc(Br)c(C(=O)Nc2cnn(CC[NH+](C)C)c2)c1F ZINC000931345071 664792161 /nfs/dbraw/zinc/79/21/61/664792161.db2.gz IZEZZBPFWKKUDA-UHFFFAOYSA-N 1 0 399.264 2.997 20 0 GFADRO Nc1cc[nH+]c2c1CN(CCC(=O)Nc1ccc(Br)cc1F)CC2 ZINC000931510196 664796928 /nfs/dbraw/zinc/79/69/28/664796928.db2.gz WDFVRJQJJFFAGL-UHFFFAOYSA-N 1 0 393.260 2.952 20 0 GFADRO Cc1c(Br)nccc1NC(=O)N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000931548377 664798165 /nfs/dbraw/zinc/79/81/65/664798165.db2.gz GXIPHTAFMWGOSQ-QWHCGFSZSA-N 1 0 385.331 2.854 20 0 GFADRO CCOC(=O)c1nc(NC(=O)NC[C@H](C)C[NH+](C)C)sc1C(F)(F)F ZINC000931596354 664800467 /nfs/dbraw/zinc/80/04/67/664800467.db2.gz WKTANVCBTHMHDM-QMMMGPOBSA-N 1 0 382.408 2.658 20 0 GFADRO COc1ccc(C[N@@H+]2CCC(OC)(OC)[C@@H](O)C2)cc1SC(F)(F)F ZINC000931639325 664801187 /nfs/dbraw/zinc/80/11/87/664801187.db2.gz IPHLZNHLMJEVCX-AWEZNQCLSA-N 1 0 381.416 2.863 20 0 GFADRO CC1(C)CNC(=O)[C@@H]1[NH2+]CC(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000931659693 664801975 /nfs/dbraw/zinc/80/19/75/664801975.db2.gz ARRJMCUMCBWECI-ZBFHGGJFSA-N 1 0 384.307 2.771 20 0 GFADRO Cc1cc(NC(=O)N2CCN(C)CC[N@@H+](C)CC2)cc(F)c1Br ZINC000931747343 664804198 /nfs/dbraw/zinc/80/41/98/664804198.db2.gz NKXLIOLEIRBSEH-UHFFFAOYSA-N 1 0 387.297 2.608 20 0 GFADRO CC(C)[N@@H+]1CCCN(C(=O)C[C@@H]2C(=O)Nc3ccc(Br)cc32)CC1 ZINC000931794489 664805126 /nfs/dbraw/zinc/80/51/26/664805126.db2.gz MAGNBKMDMGQTCQ-HNNXBMFYSA-N 1 0 394.313 2.818 20 0 GFADRO CCO[C@@H](CNC(=O)Nc1ccc(F)c(Br)c1F)C[NH+](C)C ZINC000931971945 664808152 /nfs/dbraw/zinc/80/81/52/664808152.db2.gz QVJNYFRVFHLZGW-VIFPVBQESA-N 1 0 380.233 2.816 20 0 GFADRO C[C@H](CNC(=O)c1cc(Br)cnc1Br)[NH+]1CCCC1 ZINC000932028896 664809254 /nfs/dbraw/zinc/80/92/54/664809254.db2.gz JXPJVYKRNATDKP-SECBINFHSA-N 1 0 391.107 2.821 20 0 GFADRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)Nc3cccc(F)c3Br)CC2)C1 ZINC000932421895 664822028 /nfs/dbraw/zinc/82/20/28/664822028.db2.gz SOILBRKJNMKJDV-CYBMUJFWSA-N 1 0 399.308 2.832 20 0 GFADRO O=C(NC[C@H]1CC[N@@H+]1C1CCOCC1)Nc1cccc(F)c1Br ZINC000932421469 664822043 /nfs/dbraw/zinc/82/20/43/664822043.db2.gz PGHRLSAHWVYPNI-GFCCVEGCSA-N 1 0 386.265 2.963 20 0 GFADRO CN(C(=O)C[C@H]1C(=O)Nc2ccc(Br)cc21)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000932547263 664825177 /nfs/dbraw/zinc/82/51/77/664825177.db2.gz GNAOGQDLVLGGBL-UKRRQHHQSA-N 1 0 392.297 2.570 20 0 GFADRO CC[NH+]1CCN(CCNC(=O)C/C=C\c2ccc(Br)cc2)CC1 ZINC000932703955 664832284 /nfs/dbraw/zinc/83/22/84/664832284.db2.gz QKKWTMPHAUYKLD-ARJAWSKDSA-N 1 0 380.330 2.606 20 0 GFADRO Cc1ccc2[nH]c(C(=O)NC[C@@H](C)N3CC[NH+](C)CC3)cc2c1Br ZINC000932722986 664833547 /nfs/dbraw/zinc/83/35/47/664833547.db2.gz HWEUIHVRJLFNBC-CYBMUJFWSA-N 1 0 393.329 2.605 20 0 GFADRO C[NH+](C)C[C@@H]1CCN(C(=O)c2cc3ccc(Br)cc3c(=O)o2)C1 ZINC000932795069 664838895 /nfs/dbraw/zinc/83/88/95/664838895.db2.gz HHEVNRPXBATKCX-NSHDSACASA-N 1 0 379.254 2.579 20 0 GFADRO OCC1(C(F)(F)F)CC[NH+](C[C@@H](O)COCc2ccccc2Cl)CC1 ZINC000932823117 664840572 /nfs/dbraw/zinc/84/05/72/664840572.db2.gz KCPMEWRHGDSNIZ-CQSZACIVSA-N 1 0 381.822 2.854 20 0 GFADRO Cc1ccc(Br)c(C(=O)NC2CC[NH+](Cc3cccnc3)CC2)n1 ZINC000932872375 664841572 /nfs/dbraw/zinc/84/15/72/664841572.db2.gz XFXCXTPVIFYLLY-UHFFFAOYSA-N 1 0 389.297 2.942 20 0 GFADRO NS(=O)(=O)C[C@H]1CC[N@H+](Cc2ccc(-c3ccc(Br)cc3)o2)C1 ZINC000932956049 664845259 /nfs/dbraw/zinc/84/52/59/664845259.db2.gz CXWDVHBSJSFYJG-LBPRGKRZSA-N 1 0 399.310 2.820 20 0 GFADRO CCCOc1ccc(Br)cc1C[NH2+][C@@H]1C(=O)NCC12CCOCC2 ZINC000933033059 664847695 /nfs/dbraw/zinc/84/76/95/664847695.db2.gz FPXYYMJZZMIXHY-MRXNPFEDSA-N 1 0 397.313 2.623 20 0 GFADRO O=C1NCC2(CCOCC2)[C@H]1[NH2+]CCSc1cc(Cl)ccc1Cl ZINC000933040371 664848048 /nfs/dbraw/zinc/84/80/48/664848048.db2.gz RIDJYCABRTYJSF-AWEZNQCLSA-N 1 0 375.321 2.970 20 0 GFADRO CC(C)(C)OCCCC[N@@H+]1CCn2ncc(I)c2C1 ZINC000933111380 664849868 /nfs/dbraw/zinc/84/98/68/664849868.db2.gz HIGXKEYWPSRSNN-UHFFFAOYSA-N 1 0 377.270 2.899 20 0 GFADRO COCC[N@@H+]1CC[C@H](NC(=O)Nc2c(F)ccc(Br)c2F)C1 ZINC000933290730 664855086 /nfs/dbraw/zinc/85/50/86/664855086.db2.gz VHNYYHIOZHWDIZ-VIFPVBQESA-N 1 0 378.217 2.570 20 0 GFADRO C[C@@](CO)(Cc1ccc(Br)cc1)[NH2+]Cc1cn(CC2CC2)nn1 ZINC000933440739 664864644 /nfs/dbraw/zinc/86/46/44/664864644.db2.gz NCRFYUUSIKYAMT-KRWDZBQOSA-N 1 0 379.302 2.534 20 0 GFADRO C[C@](CO)(Cc1ccc(Br)cc1)[NH2+]Cc1nnc2n1CCCCC2 ZINC000933442837 664864911 /nfs/dbraw/zinc/86/49/11/664864911.db2.gz VFBWVYHSKMJTMM-GOSISDBHSA-N 1 0 393.329 2.850 20 0 GFADRO O=S1(=O)C[C@H]2C[N@H+](CCCCOc3ccccc3C(F)(F)F)C[C@H]2C1 ZINC000933730079 664874314 /nfs/dbraw/zinc/87/43/14/664874314.db2.gz JFVPDGRVJBAOMS-OKILXGFUSA-N 1 0 377.428 2.841 20 0 GFADRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2cc(Br)c3nccnc3c2)C1 ZINC000933796854 664878396 /nfs/dbraw/zinc/87/83/96/664878396.db2.gz BJQBUPIQIFQKPD-GFCCVEGCSA-N 1 0 377.286 2.806 20 0 GFADRO Cc1ccc(Br)c(C(=O)N2CCC(OCC[NH+]3CCCC3)CC2)n1 ZINC000933914698 664880092 /nfs/dbraw/zinc/88/00/92/664880092.db2.gz CLDFUMBPSVRHKK-UHFFFAOYSA-N 1 0 396.329 2.870 20 0 GFADRO Cn1cc([C@H]2CSCCC[N@@H+]2C[C@H](O)COc2ccccc2Cl)cn1 ZINC000933979739 664883509 /nfs/dbraw/zinc/88/35/09/664883509.db2.gz ZODPRSLTCXZWEZ-DOTOQJQBSA-N 1 0 381.929 2.993 20 0 GFADRO CN1CCN(Cc2ncc(-c3ccc(Br)cc3)o2)CC[N@H+](C)CC1 ZINC000933995584 664886246 /nfs/dbraw/zinc/88/62/46/664886246.db2.gz FGKRXWWTHMKDLS-UHFFFAOYSA-N 1 0 393.329 2.783 20 0 GFADRO O=C1CC[N@H+](C[C@H](O)COc2c(Cl)cccc2Cl)CCCCCN1 ZINC000934163905 664891428 /nfs/dbraw/zinc/89/14/28/664891428.db2.gz USGQVYOSVIJJKF-ZDUSSCGKSA-N 1 0 375.296 2.725 20 0 GFADRO Cc1cc(NC(=O)c2c(C)[nH]nc2Br)n(C2CC[NH+](C)CC2)n1 ZINC000934284679 664897845 /nfs/dbraw/zinc/89/78/45/664897845.db2.gz UCLVSCDZTWTUNW-UHFFFAOYSA-N 1 0 381.278 2.505 20 0 GFADRO CCO[C@@H](CC[NH+](C)C)CNC(=O)c1c(F)ccc(Br)c1C ZINC000934385542 664905045 /nfs/dbraw/zinc/90/50/45/664905045.db2.gz MBAJPICCMASVPB-LBPRGKRZSA-N 1 0 375.282 2.983 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)C[C@H]2C(=O)Nc3c2cccc3Br)C[N@@H+]1C1CC1 ZINC000934399128 664905537 /nfs/dbraw/zinc/90/55/37/664905537.db2.gz ZXBVQCIKEPGZES-JTNHKYCSSA-N 1 0 392.297 2.616 20 0 GFADRO Brc1ccc(-c2nnc(C[NH2+][C@H]3CCOC34CCOCC4)o2)o1 ZINC000934411357 664906505 /nfs/dbraw/zinc/90/65/05/664906505.db2.gz XVWSOQCQSZVRCP-NSHDSACASA-N 1 0 384.230 2.520 20 0 GFADRO CC(C)(C)S(=O)(=O)CCC[NH2+][C@@](C)(CO)c1cccc(Br)c1 ZINC000934495019 664908521 /nfs/dbraw/zinc/90/85/21/664908521.db2.gz UCNGCGOFHVOZNA-INIZCTEOSA-N 1 0 392.359 2.850 20 0 GFADRO Cn1c(=O)oc2ccc(C[NH2+][C@](C)(CO)c3cccc(Br)c3)cc21 ZINC000934493274 664908642 /nfs/dbraw/zinc/90/86/42/664908642.db2.gz KYPPPHSMRBGGHG-GOSISDBHSA-N 1 0 391.265 2.891 20 0 GFADRO CCS(=O)(=O)CCCCC[NH2+][C@@](C)(CO)c1cccc(Br)c1 ZINC000934496053 664908815 /nfs/dbraw/zinc/90/88/15/664908815.db2.gz IDRKWMCXXNQEDZ-INIZCTEOSA-N 1 0 392.359 2.851 20 0 GFADRO COCCC[N@H+](C)CCNC(=O)NC1(C(F)(F)F)CCC(F)(F)CC1 ZINC000934550425 664911437 /nfs/dbraw/zinc/91/14/37/664911437.db2.gz IAHXITONEJDIMA-UHFFFAOYSA-N 1 0 375.382 2.764 20 0 GFADRO CCN(CCC[NH+]1CCC(CN=[S@](C)(=O)N(C)C)CC1)CC(F)(F)F ZINC000934748079 664918049 /nfs/dbraw/zinc/91/80/49/664918049.db2.gz AXEKDCKAICDUPC-VWLOTQADSA-N 1 0 386.528 2.547 20 0 GFADRO COc1cc(Br)cc(C(=O)N2CC[C@H](OCC[NH+]3CCCC3)C2)c1 ZINC000934782964 664921438 /nfs/dbraw/zinc/92/14/38/664921438.db2.gz AKDHCNPIWYYEEA-INIZCTEOSA-N 1 0 397.313 2.785 20 0 GFADRO Cc1ccc(NC(=O)C[NH2+]C2(CC(N)=O)CCCCC2)c(Br)c1 ZINC000934824329 664923919 /nfs/dbraw/zinc/92/39/19/664923919.db2.gz XTMXARYLSNLMFO-UHFFFAOYSA-N 1 0 382.302 2.864 20 0 GFADRO OC[C@@H]([NH2+]C[C@H](O)c1ccccc1)c1ccccc1I ZINC000934826793 664924761 /nfs/dbraw/zinc/92/47/61/664924761.db2.gz NSSLUTHXBHMDFT-CVEARBPZSA-N 1 0 383.229 2.648 20 0 GFADRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3cnn4cccc(Br)c34)CC[C@@H]21 ZINC000934890022 664928347 /nfs/dbraw/zinc/92/83/47/664928347.db2.gz LCDWEBAYOHYHQI-WFASDCNBSA-N 1 0 377.286 2.653 20 0 GFADRO Cc1cc(C(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)cnc1Br ZINC000934914688 664929806 /nfs/dbraw/zinc/92/98/06/664929806.db2.gz SEYTZGVCBSJDSD-JKSUJKDBSA-N 1 0 396.329 2.650 20 0 GFADRO Cc1cc(C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)cnc1Br ZINC000934914686 664929867 /nfs/dbraw/zinc/92/98/67/664929867.db2.gz SEYTZGVCBSJDSD-HOTGVXAUSA-N 1 0 396.329 2.650 20 0 GFADRO O=C(c1ccc(Br)[nH]c1=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000935013266 664934174 /nfs/dbraw/zinc/93/41/74/664934174.db2.gz QWUUJHQOVADXAR-RISCZKNCSA-N 1 0 380.286 2.639 20 0 GFADRO CS[C@@H]1CN(C(=O)c2cc(Br)c3nccnc3c2)C[C@@H]1[NH+](C)C ZINC000935113131 664940286 /nfs/dbraw/zinc/94/02/86/664940286.db2.gz MNQNSTLHCGUWOZ-UONOGXRCSA-N 1 0 395.326 2.510 20 0 GFADRO CC1=CC[N@H+](CCNC(=O)C[C@@H]2C(=O)Nc3c2cccc3Br)CC1 ZINC000935398307 664958977 /nfs/dbraw/zinc/95/89/77/664958977.db2.gz GQGHCSOGYLUNRI-AWEZNQCLSA-N 1 0 392.297 2.643 20 0 GFADRO CN(CC[N@H+](C)C1CC1)C(=O)c1cc(Br)cnc1Br ZINC000935442872 664962170 /nfs/dbraw/zinc/96/21/70/664962170.db2.gz DICGJENLJSDSFA-UHFFFAOYSA-N 1 0 391.107 2.773 20 0 GFADRO C[NH+](C)[C@H]1CCCN(C(=O)[C@@](C)(O)c2ccc(F)c(Br)c2)CC1 ZINC000935650762 664977456 /nfs/dbraw/zinc/97/74/56/664977456.db2.gz YDSQJIAJTPNXLQ-GUYCJALGSA-N 1 0 387.293 2.738 20 0 GFADRO CC[C@@H]1C[N@H+](C)CCCN1C(=O)C[C@@H]1C(=O)Nc2ccc(Br)cc21 ZINC000935778800 664988072 /nfs/dbraw/zinc/98/80/72/664988072.db2.gz WJEVBFVDCLZPEG-HIFRSBDPSA-N 1 0 394.313 2.818 20 0 GFADRO C[C@H]1C[C@H](N2CCOCC2)CN1C(=O)c1cc(Br)cnc1C1CC1 ZINC000935930638 664999244 /nfs/dbraw/zinc/99/92/44/664999244.db2.gz AYQXLADWGTVBFW-WFASDCNBSA-N 1 0 394.313 2.657 20 0 GFADRO CN(CCC[N@H+](C)Cc1ccncc1)C(=O)c1ccc(Br)[nH]c1=O ZINC000936010443 665004148 /nfs/dbraw/zinc/00/41/48/665004148.db2.gz IXRBGPBMFXKZLV-UHFFFAOYSA-N 1 0 393.285 2.539 20 0 GFADRO O=C(NC[C@@H]1[C@H]2C[N@H+](Cc3ccc(Cl)s3)C[C@H]21)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000978558724 665017662 /nfs/dbraw/zinc/01/76/62/665017662.db2.gz OMKDYZFMUBSZTM-ORXBUVRYSA-N 1 0 378.925 2.619 20 0 GFADRO O=C([C@@H]1OC[C@@H]2CCC[C@@H]21)N1CCC([NH2+]CC[C@@H]2CC2(Cl)Cl)CC1 ZINC000996816487 665033801 /nfs/dbraw/zinc/03/38/01/665033801.db2.gz JAJYLULKRMICHK-LQKXBSAESA-N 1 0 375.340 2.966 20 0 GFADRO C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)c2cc(Cl)cs2)CC[N@@H+]1C ZINC000997009399 665034467 /nfs/dbraw/zinc/03/44/67/665034467.db2.gz YSGWUMLVCLXSGL-OLOXDWRXSA-N 1 0 381.929 2.603 20 0 GFADRO C[C@@H]1CCC[N@@H+]1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1csc(Cl)c1 ZINC001000459599 665046659 /nfs/dbraw/zinc/04/66/59/665046659.db2.gz NVARMRLVPKREGW-RZFFKMDDSA-N 1 0 381.929 2.748 20 0 GFADRO Cc1csc(Cl)c1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C2 ZINC001002789468 665057200 /nfs/dbraw/zinc/05/72/00/665057200.db2.gz GSJJJOCBIMBVRL-DGAVXFQQSA-N 1 0 381.929 2.523 20 0 GFADRO C[N@H+](CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1sccc1Cl)C2)C1CCC1 ZINC001003332952 665059951 /nfs/dbraw/zinc/05/99/51/665059951.db2.gz UWWNERMKDRWNLL-YUELXQCFSA-N 1 0 381.929 2.748 20 0 GFADRO O=C([C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)N1CCC[C@H](C[NH2+]Cc2ncc(Cl)s2)C1 ZINC001024069398 665074314 /nfs/dbraw/zinc/07/43/14/665074314.db2.gz FZHKWZYBSQJPGC-WFTXNEMLSA-N 1 0 381.929 2.548 20 0 GFADRO C[C@@H]1CN(C(=O)c2cc(Br)ccc2Br)CCN1C ZINC000160555217 677404208 /nfs/dbraw/zinc/40/42/08/677404208.db2.gz BHWFWXFZXKKIMC-SECBINFHSA-N 1 0 376.092 2.988 20 0 GFADRO C[C@@H]([NH3+])CN(C)S(=O)(=O)c1c(Cl)cc(Br)cc1Cl ZINC000386008467 677407326 /nfs/dbraw/zinc/40/73/26/677407326.db2.gz UWBULDDVNHAUEH-ZCFIWIBFSA-N 1 0 376.103 2.724 20 0 GFADRO O[C@@H](C[NH2+]CCn1cc(Br)cn1)c1cccc(C(F)(F)F)c1 ZINC000390038602 677673050 /nfs/dbraw/zinc/67/30/50/677673050.db2.gz BGYCZHWKGXCDHT-ZDUSSCGKSA-N 1 0 378.192 2.988 20 0 GFADRO Cc1nc(Cl)ccc1S(=O)(=O)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000389978977 677673054 /nfs/dbraw/zinc/67/30/54/677673054.db2.gz HJGGVPDIYNZPPY-CJNGLKHVSA-N 1 0 379.913 2.842 20 0 GFADRO CCCCOCCN(C(=O)C[C@H]1COCC[NH2+]1)c1cccc(Br)c1 ZINC000579825947 677673586 /nfs/dbraw/zinc/67/35/86/677673586.db2.gz SDSOFFAERNWAHZ-INIZCTEOSA-N 1 0 399.329 2.977 20 0 GFADRO CCN1CCC([NH2+]C[C@@H](O)COc2ccc(Cl)cc2Br)CC1 ZINC000579827056 677673616 /nfs/dbraw/zinc/67/36/16/677673616.db2.gz FDVQFMQFOJBWTI-CQSZACIVSA-N 1 0 391.737 2.916 20 0 GFADRO CN1CCc2nc(Cl)nc(N3CCC4(CC[NH2+]CC4)[C@H]3C(F)(F)F)c2C1 ZINC001164389778 718815836 /nfs/dbraw/zinc/81/58/36/718815836.db2.gz YWWVADSJUYUPDF-AWEZNQCLSA-N 1 0 389.853 2.629 20 0 GFADRO FC(F)(c1cccc2c(Cl)nc(Cl)nc21)N1CCN2CC[NH2+]C[C@@H]2C1 ZINC001164399326 718835163 /nfs/dbraw/zinc/83/51/63/718835163.db2.gz SUZYJKZYKBEUJV-SNVBAGLBSA-N 1 0 388.249 2.575 20 0 GFADRO OC[C@@]12C[NH2+]C[C@H]1CN(C(F)(F)c1ccc(-c3ccnc(Cl)c3)cc1)C2 ZINC001164402116 718850882 /nfs/dbraw/zinc/85/08/82/718850882.db2.gz DYHHIAXCNDZPSJ-WMZOPIPTSA-N 1 0 379.838 2.965 20 0 GFADRO Cc1ccc(-c2cc(C(F)(F)N3C[C@@H]4C[NH2+]C[C@]4(CO)C3)c(Cl)nn2)cc1 ZINC001164403150 718854683 /nfs/dbraw/zinc/85/46/83/718854683.db2.gz HQTLHCFHGOOOGV-KBXCAEBGSA-N 1 0 394.853 2.668 20 0 GFADRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(F)(F)c1ccnc(Cl)c1Cl ZINC001164617114 719012979 /nfs/dbraw/zinc/01/29/79/719012979.db2.gz MIDGEXFJIIBVLX-INTQDDNPSA-N 1 0 380.222 2.663 20 0 GFADRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@@H]2N1C(F)(F)c1cnc(Cl)cc1Cl ZINC001164618821 719013068 /nfs/dbraw/zinc/01/30/68/719013068.db2.gz TWWHUKVPGBISDW-UWJYBYFXSA-N 1 0 380.222 2.663 20 0 GFADRO CCOC(=O)C1CC[NH+](C2CCN(c3nc4ccc(Cl)nc4[nH]3)CC2)CC1 ZINC001164616956 719030360 /nfs/dbraw/zinc/03/03/60/719030360.db2.gz FXIBLOOSMGLMEN-UHFFFAOYSA-N 1 0 391.903 2.855 20 0 GFADRO CCOC(=O)C1CC[NH+](C2CCN(c3ncccc3-c3nc(C)no3)CC2)CC1 ZINC001164617158 719032108 /nfs/dbraw/zinc/03/21/08/719032108.db2.gz IBOKKTGORBULQG-UHFFFAOYSA-N 1 0 399.495 2.684 20 0 GFADRO CCOC(=O)C1CC[NH+](C2CCN(c3ccc(-c4nc(C)no4)cn3)CC2)CC1 ZINC001164616454 719032571 /nfs/dbraw/zinc/03/25/71/719032571.db2.gz CMLRXSZNTIDETR-UHFFFAOYSA-N 1 0 399.495 2.684 20 0 GFADRO COC(OC)c1c(CO)ccnc1N1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001164624218 719090076 /nfs/dbraw/zinc/09/00/76/719090076.db2.gz DMNYDWAILRIUKV-ICSRJNTNSA-N 1 0 397.519 2.966 20 0 GFADRO COC(OC)c1c(CO)ccnc1N1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001164624220 719090144 /nfs/dbraw/zinc/09/01/44/719090144.db2.gz DMNYDWAILRIUKV-UYAOXDASSA-N 1 0 397.519 2.966 20 0 GFADRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1c1ccc(S(=O)(=O)Nc2cc(F)ccc2F)cn1 ZINC001164633312 719245112 /nfs/dbraw/zinc/24/51/12/719245112.db2.gz KTVKPWIQHGDCGR-QWHCGFSZSA-N 1 0 396.463 2.689 20 0 GFADRO C[N@@H+]1CCO[C@@H]2CN(c3cc(C(=O)Nc4ccc(Cl)nc4)ccc3F)C[C@@H]21 ZINC001164668065 719394072 /nfs/dbraw/zinc/39/40/72/719394072.db2.gz PVMYOXIDMVQSJX-DLBZAZTESA-N 1 0 390.846 2.646 20 0 GFADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1nc(SC)nc3ccsc31)CC2 ZINC001164686181 719714847 /nfs/dbraw/zinc/71/48/47/719714847.db2.gz XVTVXSVLOBWIPS-UHFFFAOYSA-N 1 0 391.566 2.594 20 0 GFADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1nnc(Cl)c3cccc(C)c31)CC2 ZINC001164685920 719715554 /nfs/dbraw/zinc/71/55/54/719715554.db2.gz NSPGVVXPHVVWFC-UHFFFAOYSA-N 1 0 387.915 2.772 20 0 GFADRO Cc1nc(C[N@H+]2CCCC23CCN(c2ncnc4c2[C@H](C)C(=O)N4)CC3)cs1 ZINC001164692546 719809927 /nfs/dbraw/zinc/80/99/27/719809927.db2.gz IYJMYQYVANEILN-ZDUSSCGKSA-N 1 0 398.536 2.932 20 0 GFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ncccc1C(=O)N1CCCC1)C2 ZINC001164813096 720069221 /nfs/dbraw/zinc/06/92/21/720069221.db2.gz SKTWTZNDVSOUJJ-XXBNENTESA-N 1 0 398.551 2.502 20 0 GFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cc(C(=O)OC)cc(Cl)n1)C2 ZINC001164815389 720076869 /nfs/dbraw/zinc/07/68/69/720076869.db2.gz YXIMBMVFWYGZCU-JXFKEZNVSA-N 1 0 393.915 2.706 20 0 GFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ncnc3nc(Cl)ccc31)C2 ZINC001164809782 720083468 /nfs/dbraw/zinc/08/34/68/720083468.db2.gz KGNOXMGEKGSUSL-MGPUTAFESA-N 1 0 387.915 2.863 20 0 GFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1cnc(Cl)nc1)C2 ZINC001164811246 720085813 /nfs/dbraw/zinc/08/58/13/720085813.db2.gz NJHQAUYZPUBEPY-WBVHZDCISA-N 1 0 386.874 2.860 20 0 GFADRO CCOc1nccc(N2CCC3(C[C@@H](COC)[N@H+](Cc4ccccn4)C3)CC2)n1 ZINC001164715522 720122172 /nfs/dbraw/zinc/12/21/72/720122172.db2.gz GYGFGQOJDDJAAN-IBGZPJMESA-N 1 0 397.523 2.778 20 0 GFADRO CCOc1c(Cl)ncnc1N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COC ZINC001164816194 720124415 /nfs/dbraw/zinc/12/44/15/720124415.db2.gz YIAFZRKDYFZLDU-DNVCBOLYSA-N 1 0 380.920 2.713 20 0 GFADRO CCOC(=O)c1cc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COC)ncc1C ZINC001164809078 720124602 /nfs/dbraw/zinc/12/46/02/720124602.db2.gz GQMOFFHIQQFOOS-GCJKJVERSA-N 1 0 387.524 2.751 20 0 GFADRO CCOC(=O)c1cc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COC)ncc1C ZINC001164809077 720125002 /nfs/dbraw/zinc/12/50/02/720125002.db2.gz GQMOFFHIQQFOOS-AVRDEDQJSA-N 1 0 387.524 2.751 20 0 GFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ncnc3cc(Cl)cnc31)C2 ZINC001164816511 720129918 /nfs/dbraw/zinc/12/99/18/720129918.db2.gz ZSVPTDZHLGTXIL-QRWLVFNGSA-N 1 0 387.915 2.863 20 0 GFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1cncc(Cl)n1)C2 ZINC001164818865 720148816 /nfs/dbraw/zinc/14/88/16/720148816.db2.gz VBWOYUGUICZTIB-RHSMWYFYSA-N 1 0 386.874 2.860 20 0 GFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ccnc(N3CCCCC3)n1)C2 ZINC001164817872 720161978 /nfs/dbraw/zinc/16/19/78/720161978.db2.gz QPYMZPDFQHDFJB-KNQAVFIVSA-N 1 0 385.556 2.652 20 0 GFADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1ccc3ncc(F)cc3n1)CCC2 ZINC001164812892 720232702 /nfs/dbraw/zinc/23/27/02/720232702.db2.gz JXVKBBLOAPFXMM-UHFFFAOYSA-N 1 0 396.470 2.576 20 0 GFADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1cc(C(C)(C)C)ncn1)CCC2 ZINC001164812143 720236595 /nfs/dbraw/zinc/23/65/95/720236595.db2.gz BVBPPSGLOCAMIZ-UHFFFAOYSA-N 1 0 384.528 2.581 20 0 GFADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2nc(Cl)ncc2Cl)CC1 ZINC001164825353 720293981 /nfs/dbraw/zinc/29/39/81/720293981.db2.gz TWDRUGSIFJGGID-LSDHHAIUSA-N 1 0 398.338 2.695 20 0 GFADRO Cc1cnc(N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c(Cl)c1 ZINC001164827921 720296413 /nfs/dbraw/zinc/29/64/13/720296413.db2.gz YOAXYKFAVJLDGX-MSOLQXFVSA-N 1 0 376.932 2.955 20 0 GFADRO O=C(c1cccnc1N1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1)N1CCCC1 ZINC001164721180 720328904 /nfs/dbraw/zinc/32/89/04/720328904.db2.gz AZXUJYUNCWUELZ-PMACEKPBSA-N 1 0 377.492 2.566 20 0 GFADRO O=C(c1cccnc1N1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1)N1CCCC1 ZINC001164721181 720329536 /nfs/dbraw/zinc/32/95/36/720329536.db2.gz AZXUJYUNCWUELZ-UXHICEINSA-N 1 0 377.492 2.566 20 0 GFADRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(c2nc(Cl)nc3[nH]cc(Cl)c32)C1 ZINC001164730628 720505393 /nfs/dbraw/zinc/50/53/93/720505393.db2.gz MUHJTUWOQNCCKM-SNVBAGLBSA-N 1 0 380.283 2.659 20 0 GFADRO Cc1c[nH]c2ncnc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cccn5)[N@H+]4C(C)C)C3)c12 ZINC001164839205 720505581 /nfs/dbraw/zinc/50/55/81/720505581.db2.gz SZBZEVVOEFCGBB-RCCFBDPRSA-N 1 0 379.512 2.841 20 0 GFADRO Fc1c[nH]c2nc(Cl)nc(N3CCc4ncc(C[NH+]5CCCC5)n4CC3)c12 ZINC001164733348 720549927 /nfs/dbraw/zinc/54/99/27/720549927.db2.gz LWXKPQGJKWKVTH-UHFFFAOYSA-N 1 0 389.866 2.605 20 0 GFADRO F[C@@H](Oc1ccnc(Cl)c1)N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001164733705 720557873 /nfs/dbraw/zinc/55/78/73/720557873.db2.gz PTUWVLIOHHZRQG-GOSISDBHSA-N 1 0 379.867 2.718 20 0 GFADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3cc(-c4nnco4)ccn3)CC[C@@H]21 ZINC001164837794 720618498 /nfs/dbraw/zinc/61/84/98/720618498.db2.gz JMJZXZIAKAUQNI-QYZOEREBSA-N 1 0 393.495 2.706 20 0 GFADRO COc1cc(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)nc(OC)n1 ZINC001164837085 720674320 /nfs/dbraw/zinc/67/43/20/720674320.db2.gz BNGXWFBZPWBYPP-SFHVURJKSA-N 1 0 398.507 2.754 20 0 GFADRO Cc1sc2nc(C)nc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)c2c1C ZINC001164739336 720691285 /nfs/dbraw/zinc/69/12/85/720691285.db2.gz NCSWXSYCCBVRTB-HOTGVXAUSA-N 1 0 396.520 2.748 20 0 GFADRO Cc1ccc2c(c1)nc(Cl)nc2N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001164737617 720700530 /nfs/dbraw/zinc/70/05/30/720700530.db2.gz GOIMWFVIMLEZMM-LSDHHAIUSA-N 1 0 396.882 2.724 20 0 GFADRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1cc3c(nn1)CCOC3)CC2 ZINC001164838375 720724404 /nfs/dbraw/zinc/72/44/04/720724404.db2.gz IIAOYEFYMOSHEG-HXUWFJFHSA-N 1 0 394.519 2.809 20 0 GFADRO FC(F)(c1ccc(Cl)nn1)N1CCCn2cnc(C[NH2+]C3CCC3)c2C1 ZINC001164838082 720736623 /nfs/dbraw/zinc/73/66/23/720736623.db2.gz QZVOZYMYGBUXFR-UHFFFAOYSA-N 1 0 382.846 2.924 20 0 GFADRO CC(C)c1ccc2ncnc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)c2c1 ZINC001164738971 720766627 /nfs/dbraw/zinc/76/66/27/720766627.db2.gz HEEBFTSFQOEMLB-MSOLQXFVSA-N 1 0 390.491 2.885 20 0 GFADRO c1ncn(C[C@H]2C[C@@H]3CN(c4ncc5ccccc5n4)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164748328 720808827 /nfs/dbraw/zinc/80/88/27/720808827.db2.gz QTCGQCHLRRDKRK-SFHLNBCPSA-N 1 0 389.507 2.601 20 0 GFADRO c1ncn(C[C@H]2C[C@H]3CN(c4nncc5ccccc54)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164737352 720819927 /nfs/dbraw/zinc/81/99/27/720819927.db2.gz AGNRAZIUOKUHHX-QKNQBKEWSA-N 1 0 389.507 2.601 20 0 GFADRO CSCc1ccc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc1 ZINC001164745980 720853044 /nfs/dbraw/zinc/85/30/44/720853044.db2.gz FBPLMNVOFJRUEJ-SLFFLAALSA-N 1 0 398.580 2.916 20 0 GFADRO COCC[N@@H+]1CCO[C@@H]2CN(c3cc(C)c4ccc(OC)cc4n3)CC[C@@H]2C1 ZINC001164853570 720863734 /nfs/dbraw/zinc/86/37/34/720863734.db2.gz HNLVWOTVFXUBLC-DYESRHJHSA-N 1 0 385.508 2.725 20 0 GFADRO Cc1cnc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)cn1 ZINC001164755752 720869175 /nfs/dbraw/zinc/86/91/75/720869175.db2.gz YSBYCWRXHMKINX-GMAHTHKFSA-N 1 0 393.535 2.935 20 0 GFADRO COCC[N@@H+]1CCO[C@H]2CN(c3ccc(-c4cccc(C)c4)nn3)CC[C@@H]2C1 ZINC001164864503 720876304 /nfs/dbraw/zinc/87/63/04/720876304.db2.gz VYWNSYADBSVTRY-CTNGQTDRSA-N 1 0 382.508 2.626 20 0 GFADRO COCC[N@@H+]1CCO[C@H]2CN(c3nc(C(F)F)nc4ccccc43)CC[C@H]2C1 ZINC001164862307 720880704 /nfs/dbraw/zinc/88/07/04/720880704.db2.gz RNJHRNOKKQCAAR-YOEHRIQHSA-N 1 0 392.450 2.741 20 0 GFADRO CCc1ccc(-c2ccc(N3CC[C@H]4C[N@H+](CCOC)CCO[C@@H]4C3)nn2)cc1 ZINC001164865300 720881416 /nfs/dbraw/zinc/88/14/16/720881416.db2.gz ZWTKCGIBEWODLW-RBBKRZOGSA-N 1 0 396.535 2.880 20 0 GFADRO C[NH+](C)Cc1ccnc(N2CC[C@]3(C2)C[C@@H](NC(=O)c2ccccc2)CCO3)c1 ZINC001164855205 720901703 /nfs/dbraw/zinc/90/17/03/720901703.db2.gz HWNCWPXRBMSBSI-NZQKXSOJSA-N 1 0 394.519 2.701 20 0 GFADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1cc(Cl)nc(N(C)C)n1)[C@H]2C ZINC001164862413 720920068 /nfs/dbraw/zinc/92/00/68/720920068.db2.gz VUNKRKAAHSJCHP-ZDUSSCGKSA-N 1 0 377.924 2.814 20 0 GFADRO CC(C)c1nc(N(C)C)nc(N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@H]2C)n1 ZINC001164856292 720975413 /nfs/dbraw/zinc/97/54/13/720975413.db2.gz ASVPCWVPYSRAPJ-OAHLLOKOSA-N 1 0 386.548 2.679 20 0 GFADRO Cc1cccc(CN2C(=O)C[C@H]3[C@H]2CCN3c2ccc(C[NH+]3CCCC3)cn2)n1 ZINC001164771707 721054710 /nfs/dbraw/zinc/05/47/10/721054710.db2.gz NOMAQFQORUKQDW-RTWAWAEBSA-N 1 0 391.519 2.761 20 0 GFADRO Clc1nc2c(c(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)n1)CCCC2 ZINC001164871448 721062293 /nfs/dbraw/zinc/06/22/93/721062293.db2.gz YXBLTQYGMHVDIP-DLBZAZTESA-N 1 0 399.926 2.884 20 0 GFADRO Clc1nc2cnccc2c(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164871936 721071046 /nfs/dbraw/zinc/07/10/46/721071046.db2.gz ZRKFEGNSBPMERX-HZPDHXFCSA-N 1 0 396.882 2.553 20 0 GFADRO CSc1ncc(Cl)c(N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)n1 ZINC001164762850 721088333 /nfs/dbraw/zinc/08/83/33/721088333.db2.gz FIKPTOQONGEQLE-UONOGXRCSA-N 1 0 378.933 2.544 20 0 GFADRO COc1cccc2cnc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)nc21 ZINC001164862776 721094263 /nfs/dbraw/zinc/09/42/63/721094263.db2.gz AGYYSGFHHKPHPM-RTBURBONSA-N 1 0 391.475 2.513 20 0 GFADRO FC(F)(c1cncc(Cl)n1)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164865643 721122598 /nfs/dbraw/zinc/12/25/98/721122598.db2.gz NURXEWVOSGVMGH-GJZGRUSLSA-N 1 0 395.841 2.550 20 0 GFADRO COc1nnc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)c2ccccc21 ZINC001164872613 721140508 /nfs/dbraw/zinc/14/05/08/721140508.db2.gz HWUIRRAKLHFPAV-ZWKOTPCHSA-N 1 0 391.475 2.513 20 0 GFADRO CC(C)n1ccc2c1ncnc2N1C[C@H]2CC[N@H+](Cc3cnn(C)c3)C[C@@H]2C1 ZINC001164773891 721183237 /nfs/dbraw/zinc/18/32/37/721183237.db2.gz XXPVLMVXNIQODL-QZTJIDSGSA-N 1 0 379.512 2.704 20 0 GFADRO Cc1csc2nc(C)nc(N3C[C@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@@H]4C3)c12 ZINC001164770129 721216878 /nfs/dbraw/zinc/21/68/78/721216878.db2.gz NMKYSBOKKWXZGA-IAGOWNOFSA-N 1 0 382.537 3.000 20 0 GFADRO CSc1cc(N2C[C@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)nc(SC)n1 ZINC001164766610 721242434 /nfs/dbraw/zinc/24/24/34/721242434.db2.gz UZKAPZZGHRWULT-HUUCEWRRSA-N 1 0 390.582 2.612 20 0 GFADRO COc1cc(Cl)ncc1N1CC[C@@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2 ZINC001164888849 721401159 /nfs/dbraw/zinc/40/11/59/721401159.db2.gz OYWHKQCLQOJOJK-OXQOHEQNSA-N 1 0 394.947 2.509 20 0 GFADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4nncc5ccc(F)cc54)C3)O2)CC1 ZINC001164883991 721416165 /nfs/dbraw/zinc/41/61/65/721416165.db2.gz CUBLXPZYAOOMAJ-UGKGYDQZSA-N 1 0 399.514 2.534 20 0 GFADRO COc1cnc(N2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)c(Cl)c1 ZINC001164891098 721423223 /nfs/dbraw/zinc/42/32/23/721423223.db2.gz VFWHJNXFNNJSBN-OXQOHEQNSA-N 1 0 394.947 2.509 20 0 GFADRO COc1cnc(N2CC[C@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)c(Cl)c1 ZINC001164891099 721423681 /nfs/dbraw/zinc/42/36/81/721423681.db2.gz VFWHJNXFNNJSBN-UZLBHIALSA-N 1 0 394.947 2.509 20 0 GFADRO CSc1cccc(N2CC[C@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)n1 ZINC001164898900 721431490 /nfs/dbraw/zinc/43/14/90/721431490.db2.gz XPYCJIVZWQMOLU-XLIONFOSSA-N 1 0 376.570 2.569 20 0 GFADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cncc(Cl)n1)CC2 ZINC001164789488 721450767 /nfs/dbraw/zinc/45/07/67/721450767.db2.gz WSJUXPWIJNQLLV-KRWDZBQOSA-N 1 0 394.947 2.864 20 0 GFADRO Fc1cccnc1OC[C@]12COC[C@@H]1CN(c1ccc(C[NH+]3CCCC3)cn1)C2 ZINC001164793343 721487472 /nfs/dbraw/zinc/48/74/72/721487472.db2.gz QPLLDHDLRZBOHQ-AVRDEDQJSA-N 1 0 398.482 2.743 20 0 GFADRO O=C(NC1CCC1)[C@H]1COC2(C1)CCN(c1ccc(C[NH+]3CCCC3)cn1)CC2 ZINC001164901235 721490240 /nfs/dbraw/zinc/49/02/40/721490240.db2.gz UUOIGUMGOCUZLE-LJQANCHMSA-N 1 0 398.551 2.722 20 0 GFADRO O=C1NC2(C[C@H]1c1ccncc1)CCN(c1ncccc1C[NH+]1CCCC1)CC2 ZINC001164897513 721505557 /nfs/dbraw/zinc/50/55/57/721505557.db2.gz MYHPMCCMSJLNAE-FQEVSTJZSA-N 1 0 391.519 2.715 20 0 GFADRO Cc1cccc2c1ccnc2N1CCn2cc(CN3CC[NH+](C)CC3)nc2C1 ZINC001164794464 721514064 /nfs/dbraw/zinc/51/40/64/721514064.db2.gz QCMKTZGUAULDEG-UHFFFAOYSA-N 1 0 376.508 2.507 20 0 GFADRO COc1c(Cl)nc(C)nc1N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164911271 721534087 /nfs/dbraw/zinc/53/40/87/721534087.db2.gz VWKPIWRQZHTNGO-GOEBONIOSA-N 1 0 392.862 2.928 20 0 GFADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2c[nH]c3ncnc(Cl)c23)[C@H]2CCCO[C@H]12 ZINC001164809026 721534198 /nfs/dbraw/zinc/53/41/98/721534198.db2.gz UCTJUTWEESRXII-LESCRADOSA-N 1 0 398.898 2.826 20 0 GFADRO COC(=O)c1cc(C)cc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)n1 ZINC001164912480 721542075 /nfs/dbraw/zinc/54/20/75/721542075.db2.gz ZYOHPTLBMBXSLE-WMZOPIPTSA-N 1 0 385.439 2.658 20 0 GFADRO Nc1cc(F)c(Cl)nc1N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164909340 721546882 /nfs/dbraw/zinc/54/68/82/721546882.db2.gz ROORHBBMENRNTH-TZMCWYRMSA-N 1 0 380.826 2.937 20 0 GFADRO CC(C)COc1cncc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)n1 ZINC001164907568 721556269 /nfs/dbraw/zinc/55/62/69/721556269.db2.gz OMXIZSTZWLKYKK-MJGOQNOKSA-N 1 0 386.471 2.992 20 0 GFADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nccc3cnccc32)[C@@H]2CCCO[C@@H]12 ZINC001164798106 721565387 /nfs/dbraw/zinc/56/53/87/721565387.db2.gz ABBOECFFIOHRCI-NJDAHSKKSA-N 1 0 375.476 2.893 20 0 GFADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cc(-c3ncc[nH]3)ccn2)[C@@H]2CCCO[C@@H]12 ZINC001164798170 721568850 /nfs/dbraw/zinc/56/88/50/721568850.db2.gz ANFYVGOPFGWLPN-SFHLNBCPSA-N 1 0 390.491 2.735 20 0 GFADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncc(F)c3cc[nH]c32)[C@@H]2CCCO[C@@H]12 ZINC001164806204 721571071 /nfs/dbraw/zinc/57/10/71/721571071.db2.gz PHRFJGKPJLXDAO-QWFCFKBJSA-N 1 0 381.455 2.965 20 0 GFADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2nccc(-c3ccc(F)cc3)n2)CC1 ZINC001165011156 721736426 /nfs/dbraw/zinc/73/64/26/721736426.db2.gz NQULAZTXTQSTBZ-UHFFFAOYSA-N 1 0 397.498 2.806 20 0 GFADRO CC(C)Sc1ccc(N2CCCC23CC[NH+](CC(=O)N(C)C)CC3)nn1 ZINC001165012853 721746846 /nfs/dbraw/zinc/74/68/46/721746846.db2.gz OZBDJTLKZYHEIW-UHFFFAOYSA-N 1 0 377.558 2.500 20 0 GFADRO CCOC(=O)c1cnc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)cn1 ZINC001165025586 721810284 /nfs/dbraw/zinc/81/02/84/721810284.db2.gz NYAYEVWMWUEXKA-QRFRQXIXSA-N 1 0 395.507 2.785 20 0 GFADRO CCOC(=O)c1cnc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)cn1 ZINC001165025582 721810304 /nfs/dbraw/zinc/81/03/04/721810304.db2.gz NYAYEVWMWUEXKA-HQRMLTQVSA-N 1 0 395.507 2.785 20 0 GFADRO c1ccc(COC[C@]23COC[C@@H]2CN(c2ccc(C[NH+]4CCCC4)cn2)C3)nc1 ZINC001164921754 721839888 /nfs/dbraw/zinc/83/98/88/721839888.db2.gz FRAKIYQHKSRZGW-REWPJTCUSA-N 1 0 394.519 2.742 20 0 GFADRO COc1cccc2c1nc(Cl)nc2N1CC[C@@H]2[C@H]1CC[N@@H+]2CCN(C)C ZINC001164926947 721862552 /nfs/dbraw/zinc/86/25/52/721862552.db2.gz TVFFYVQJFURTMK-HUUCEWRRSA-N 1 0 375.904 2.506 20 0 GFADRO C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2C(F)(F)c1cc(C2CC2)nnc1Cl ZINC001164931480 721881127 /nfs/dbraw/zinc/88/11/27/721881127.db2.gz FROUEGFTERXYMG-CVEARBPZSA-N 1 0 385.890 2.767 20 0 GFADRO C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2c1cc(SCc2ccccc2)ncn1 ZINC001164935122 721884871 /nfs/dbraw/zinc/88/48/71/721884871.db2.gz WCNNLMPUQIEMHD-OALUTQOASA-N 1 0 383.565 2.984 20 0 GFADRO CN(C)CC[N@@H+]1CC[C@H]2[C@H]1CCN2c1nc(C(F)F)nc2ccc(F)cc21 ZINC001164934429 721886504 /nfs/dbraw/zinc/88/65/04/721886504.db2.gz RRAMNZYULSMJFN-CVEARBPZSA-N 1 0 379.430 2.921 20 0 GFADRO CN(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCN2c1nc(C(F)F)nc2ccc(F)cc21 ZINC001164934430 721886516 /nfs/dbraw/zinc/88/65/16/721886516.db2.gz RRAMNZYULSMJFN-HOTGVXAUSA-N 1 0 379.430 2.921 20 0 GFADRO COC(=O)/C=C\c1ccc(NC(=O)C(C)(C)C)c(N2CCC[C@H]([NH+](C)C)C2)n1 ZINC001165035806 721894056 /nfs/dbraw/zinc/89/40/56/721894056.db2.gz OYBJDDDBVQXFTQ-DMIOIOJGSA-N 1 0 388.512 2.783 20 0 GFADRO NC(=O)c1cc(Cl)nc(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)c1 ZINC001164954903 722013354 /nfs/dbraw/zinc/01/33/54/722013354.db2.gz QUSUXHRHKBCPRC-UHFFFAOYSA-N 1 0 385.899 2.721 20 0 GFADRO c1ccc(CC[NH+]2CCN(c3nc(-c4cccnc4)nc4c3CCC4)CC2)nc1 ZINC001165054904 722018617 /nfs/dbraw/zinc/01/86/17/722018617.db2.gz IXPSKFOOHWTYDF-UHFFFAOYSA-N 1 0 386.503 2.787 20 0 GFADRO Clc1ncnc2[nH]cc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)c21 ZINC001164980792 722103914 /nfs/dbraw/zinc/10/39/14/722103914.db2.gz KKRFQHNHJJLCMC-DOTOQJQBSA-N 1 0 398.898 2.685 20 0 GFADRO Nc1cc(F)c(Cl)nc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164981472 722133351 /nfs/dbraw/zinc/13/33/51/722133351.db2.gz OVGBYOAKGGUHHG-PBHICJAKSA-N 1 0 391.878 2.579 20 0 GFADRO CC(C)(C)c1ccc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)nn1 ZINC001164976115 722142427 /nfs/dbraw/zinc/14/24/27/722142427.db2.gz HFRALWHDUPFAKH-OALUTQOASA-N 1 0 381.524 2.896 20 0 GFADRO CSc1ncc(Cl)nc1N1CCCn2cnc(COCC[NH+](C)C)c2C1 ZINC001165001571 722255823 /nfs/dbraw/zinc/25/58/23/722255823.db2.gz CAFSLPMEVCNTMI-UHFFFAOYSA-N 1 0 396.948 2.537 20 0 GFADRO CCOC(=O)[C@H](NC(=O)C1CCN(c2cc[nH+]cc2C)CC1)c1cccc(O)c1 ZINC000359975089 209208859 /nfs/dbraw/zinc/20/88/59/209208859.db2.gz COUXJYJWCRHMGC-HXUWFJFHSA-N 1 0 397.475 2.733 20 0 GFADRO CNS(=O)(=O)c1cccc(C[NH2+][C@H]2CCCOc3cc(OC)ccc32)c1 ZINC000359962911 209207237 /nfs/dbraw/zinc/20/72/37/209207237.db2.gz XHNDQNSWMHYLMV-SFHVURJKSA-N 1 0 376.478 2.607 20 0 GFADRO Cc1csc([C@@H](C)NC(=O)c2nnn(-c3cccc4c3CC[N@H+](C)C4)c2C)n1 ZINC000359907115 209202661 /nfs/dbraw/zinc/20/26/61/209202661.db2.gz MVIVHSFRMLHAAG-CYBMUJFWSA-N 1 0 396.520 2.820 20 0 GFADRO Cc1csc([C@H](C)NC(=O)c2nnn(-c3cccc4c3CC[N@H+](C)C4)c2C)n1 ZINC000359907123 209201429 /nfs/dbraw/zinc/20/14/29/209201429.db2.gz MVIVHSFRMLHAAG-ZDUSSCGKSA-N 1 0 396.520 2.820 20 0 GFADRO CCn1cc([C@H]2OCCC[C@@H]2[NH2+][C@@H](C)Cn2cc(Br)cn2)cn1 ZINC000328654183 209153100 /nfs/dbraw/zinc/15/31/00/209153100.db2.gz XHMMFDCIJGPSBI-VBNZEHGJSA-N 1 0 382.306 2.760 20 0 GFADRO CCCOc1ccc(Br)cc1C[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC000037982571 210404494 /nfs/dbraw/zinc/40/44/94/210404494.db2.gz AKNBTPADGHXQRT-GFCCVEGCSA-N 1 0 376.316 2.762 20 0 GFADRO C[C@H]([NH2+][C@H]1CCCN(S(C)(=O)=O)C1)c1ccc(Br)cc1F ZINC000400153817 563534353 /nfs/dbraw/zinc/53/43/53/563534353.db2.gz CRRXQLXXUHUUPO-JQWIXIFHSA-N 1 0 379.295 2.663 20 0 GFADRO CS(=O)(=O)N1CCC[C@H]([NH2+]Cc2cc(Br)c(Cl)s2)C1 ZINC000400211329 563534358 /nfs/dbraw/zinc/53/43/58/563534358.db2.gz FQUYMHOJVFKGDW-QMMMGPOBSA-N 1 0 387.752 2.678 20 0 GFADRO CN(C(=O)c1ccc(I)c(Cl)c1)C1CC[NH2+]CC1 ZINC000226207199 553060695 /nfs/dbraw/zinc/06/06/95/553060695.db2.gz LTZSUZMCTRLJAS-UHFFFAOYSA-N 1 0 378.641 2.769 20 0 GFADRO CCN(CCC[NH+](C)C)C(=O)Nc1cccc(C(=O)NC)c1Br ZINC000287309945 563596024 /nfs/dbraw/zinc/59/60/24/563596024.db2.gz GQWINNLHONAEHM-UHFFFAOYSA-N 1 0 385.306 2.614 20 0 GFADRO O[C@H](Cn1cccn1)C[N@@H+]1CCC[C@H]1c1ccccc1I ZINC000364067027 563742618 /nfs/dbraw/zinc/74/26/18/563742618.db2.gz QVLHRPZZWOZSPI-BBRMVZONSA-N 1 0 397.260 2.686 20 0 GFADRO CN(C)C(=O)[C@H]1CC[N@H+](Cc2ccc(OC(F)F)c(Br)c2)C1 ZINC000414505399 563745136 /nfs/dbraw/zinc/74/51/36/563745136.db2.gz ZYRSIUJVAAQQJZ-NSHDSACASA-N 1 0 377.229 2.961 20 0 GFADRO CCOc1ccc(Br)cc1S(=O)(=O)NCC(C)(C)C[NH+](C)C ZINC000006671067 551099822 /nfs/dbraw/zinc/09/98/22/551099822.db2.gz NSKYZBDJJPHRTO-UHFFFAOYSA-N 1 0 393.347 2.714 20 0 GFADRO CC(C)[NH+]1CCC(N(C)S(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000040432044 551134541 /nfs/dbraw/zinc/13/45/41/551134541.db2.gz RRSURERKJDAWMO-UHFFFAOYSA-N 1 0 375.332 2.942 20 0 GFADRO Cc1cc(S(=O)(=O)N2CCC(C[NH+](C)C)CC2)ccc1Br ZINC000040692204 551134823 /nfs/dbraw/zinc/13/48/23/551134823.db2.gz STMTUYRQBJXZBC-UHFFFAOYSA-N 1 0 375.332 2.720 20 0 GFADRO CC(C)[N@H+](C)CCCNC(=O)[C@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000041929299 551136838 /nfs/dbraw/zinc/13/68/38/551136838.db2.gz NAYZROYSZKFKIT-AWEZNQCLSA-N 1 0 396.329 2.649 20 0 GFADRO CC(C)C[C@@H](CNC(=O)Cc1cc2c(cc1Br)OCCO2)[NH+](C)C ZINC000042588672 551139711 /nfs/dbraw/zinc/13/97/11/551139711.db2.gz FXADTCNNCULTBF-AWEZNQCLSA-N 1 0 399.329 2.855 20 0 GFADRO CC(C)[C@@H](CNC(=O)c1ccc(Br)cc1F)[NH+]1CCN(C)CC1 ZINC000042580233 551139746 /nfs/dbraw/zinc/13/97/46/551139746.db2.gz RUDXVUOKTUBZMH-MRXNPFEDSA-N 1 0 386.309 2.590 20 0 GFADRO C[NH+](C)CCNC(=O)c1cccc(NC(=O)c2ccc(Br)cc2)c1 ZINC000044815368 551144536 /nfs/dbraw/zinc/14/45/36/551144536.db2.gz SORSCPKZCMSMMA-UHFFFAOYSA-N 1 0 390.281 2.993 20 0 GFADRO C[NH+](C)CCNC(=O)C1CCN(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000051535917 551163296 /nfs/dbraw/zinc/16/32/96/551163296.db2.gz FMYQTAHBHLPKQI-UHFFFAOYSA-N 1 0 387.311 2.915 20 0 GFADRO C[NH+](C)CCn1nnnc1SCc1ccc(Br)cc1Cl ZINC000057812000 551181989 /nfs/dbraw/zinc/18/19/89/551181989.db2.gz STZCOWWBKZXBJZ-UHFFFAOYSA-N 1 0 376.711 2.943 20 0 GFADRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)Nc1ccc(Br)cc1 ZINC000067439520 551188942 /nfs/dbraw/zinc/18/89/42/551188942.db2.gz ZIXSMAMHAVAIDM-HZSPNIEDSA-N 1 0 396.329 2.870 20 0 GFADRO O=C(NCCOc1ccc(Br)cc1)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000068406016 551191785 /nfs/dbraw/zinc/19/17/85/551191785.db2.gz AKAJIEOYXXPYNG-JKSUJKDBSA-N 1 0 382.302 2.754 20 0 GFADRO C[C@@H](C(=O)NCc1cn2cc(Br)ccc2n1)[NH+]1[C@H](C)CC[C@H]1C ZINC000101650962 551197614 /nfs/dbraw/zinc/19/76/14/551197614.db2.gz YHJOCHBITSRSRK-UPJWGTAASA-N 1 0 379.302 2.974 20 0 GFADRO CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1cc(=O)c2cc(Br)ccc2[nH]1 ZINC000112631561 551206468 /nfs/dbraw/zinc/20/64/68/551206468.db2.gz GAQXOSSIBCROGY-ZDUSSCGKSA-N 1 0 394.313 2.997 20 0 GFADRO C[C@@H](C(=O)NCCN1CCC([NH+](C)C)CC1)c1ccc(Br)cc1 ZINC000119131893 551215304 /nfs/dbraw/zinc/21/53/04/551215304.db2.gz NYJMLILLYDUEPI-CQSZACIVSA-N 1 0 382.346 2.695 20 0 GFADRO C[C@H](C[NH2+]Cc1nc(-c2ccc(Br)cc2)c[nH]1)CN1CCOCC1 ZINC000120358704 551219971 /nfs/dbraw/zinc/21/99/71/551219971.db2.gz GRHGFNBCINATAA-CQSZACIVSA-N 1 0 393.329 2.897 20 0 GFADRO C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CCOC[C@@H]1CCCO1 ZINC000121004107 551224668 /nfs/dbraw/zinc/22/46/68/551224668.db2.gz UTJHDGZEXDXVIX-BBRMVZONSA-N 1 0 385.302 2.951 20 0 GFADRO Cn1cc(Br)cc1C(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000121218644 551230034 /nfs/dbraw/zinc/23/00/34/551230034.db2.gz NLEKGEBWMVHXKC-UHFFFAOYSA-N 1 0 380.286 2.658 20 0 GFADRO C[C@H]1OCC[C@@H]1[NH2+]CC(C)(C)S(=O)(=O)c1ccc(Br)cc1 ZINC000121247838 551230677 /nfs/dbraw/zinc/23/06/77/551230677.db2.gz YXVLVTIDJODECV-RISCZKNCSA-N 1 0 376.316 2.768 20 0 GFADRO C[N@H+](CCOc1cc(Cl)cc(Cl)c1)C1CCN(S(C)(=O)=O)CC1 ZINC000121635400 551238566 /nfs/dbraw/zinc/23/85/66/551238566.db2.gz OZAHMOWELPRVGT-UHFFFAOYSA-N 1 0 381.325 2.728 20 0 GFADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)Nc1cc(F)c(Br)cc1F ZINC000121774719 551242410 /nfs/dbraw/zinc/24/24/10/551242410.db2.gz VUSICXCWISHKSM-SNVBAGLBSA-N 1 0 392.244 2.960 20 0 GFADRO CC[S@](=O)c1ccccc1C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000121876023 551244833 /nfs/dbraw/zinc/24/48/33/551244833.db2.gz AHUCGZDNWAKXPP-RUZDIDTESA-N 1 0 380.579 2.906 20 0 GFADRO C[N@H+](C[C@H](O)COC1CCOCC1)CC1(c2ccc(Br)cc2)CC1 ZINC000121900051 551291845 /nfs/dbraw/zinc/29/18/45/551291845.db2.gz YRLCGPVQCQDNMR-KRWDZBQOSA-N 1 0 398.341 2.969 20 0 GFADRO CC(C)c1cc(Br)ccc1NC(=O)C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000121921508 551292660 /nfs/dbraw/zinc/29/26/60/551292660.db2.gz BCYFXGJAQYMRBJ-CYBMUJFWSA-N 1 0 382.302 2.721 20 0 GFADRO Cc1cc(C[NH2+]CCNS(=O)(=O)c2cccs2)sc1Br ZINC000122224083 551295755 /nfs/dbraw/zinc/29/57/55/551295755.db2.gz IVBPDYDDUZBUNW-UHFFFAOYSA-N 1 0 395.369 2.949 20 0 GFADRO CC(C)C[N@@H+](Cc1ccccc1Br)C[C@H](O)CN1CCOCC1 ZINC000122549807 551299494 /nfs/dbraw/zinc/29/94/94/551299494.db2.gz APKOECLMVKCKIW-QGZVFWFLSA-N 1 0 385.346 2.600 20 0 GFADRO CC(C)[C@H](CNC(=O)C(=O)Nc1ccc(Br)cc1)[NH+]1CCCC1 ZINC000122806829 551302031 /nfs/dbraw/zinc/30/20/31/551302031.db2.gz LJBFVAIGWRYEFZ-HNNXBMFYSA-N 1 0 382.302 2.624 20 0 GFADRO CC1(C)CC(NC(=O)c2cncc(I)c2)CC(C)(C)[NH2+]1 ZINC000123063636 551302405 /nfs/dbraw/zinc/30/24/05/551302405.db2.gz UNJURGCDOILIQK-UHFFFAOYSA-N 1 0 387.265 2.725 20 0 GFADRO CCO[C@H](CC[NH+](C)C)CNC(=O)CCc1cc(Br)ccc1F ZINC000124148288 551311074 /nfs/dbraw/zinc/31/10/74/551311074.db2.gz MYZIVCRPMGMQLD-OAHLLOKOSA-N 1 0 389.309 2.994 20 0 GFADRO CCO[C@H](CC[NH+](C)C)CNC(=O)c1cc(OC)c(Br)s1 ZINC000124148746 551311726 /nfs/dbraw/zinc/31/17/26/551311726.db2.gz GTTMSCDHRRIWGV-SNVBAGLBSA-N 1 0 379.320 2.606 20 0 GFADRO Cc1ccc(C[N@@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)cc1Br ZINC000124478028 551315499 /nfs/dbraw/zinc/31/54/99/551315499.db2.gz HRLCRQJDONIGPY-MRXNPFEDSA-N 1 0 381.314 2.828 20 0 GFADRO COc1cc(Br)c(C[N@@H+]2CCCC[C@@H]2[C@H]2CNC(=O)C2)cc1OC ZINC000124897837 551319170 /nfs/dbraw/zinc/31/91/70/551319170.db2.gz LRXRFBAQLIDNCP-IUODEOHRSA-N 1 0 397.313 2.957 20 0 GFADRO CN(C)S(=O)(=O)CCC[N@H+](Cc1csc(Br)c1)C1CC1 ZINC000125160514 551319955 /nfs/dbraw/zinc/31/99/55/551319955.db2.gz PJCREKCXFOHRCF-UHFFFAOYSA-N 1 0 381.361 2.757 20 0 GFADRO C[C@@H]([NH2+]C[C@]1(CCO)CCOC1)c1ccc(I)cc1 ZINC000125763706 551324388 /nfs/dbraw/zinc/32/43/88/551324388.db2.gz YPECUISACJSQIG-DOMZBBRYSA-N 1 0 375.250 2.731 20 0 GFADRO C[C@@H](CNC(=O)c1cc(Cl)cc(Br)c1)C[NH+]1CCN(C)CC1 ZINC000126751630 551332290 /nfs/dbraw/zinc/33/22/90/551332290.db2.gz IVMONCARKPCXQG-LBPRGKRZSA-N 1 0 388.737 2.716 20 0 GFADRO O=C(NC[C@H]1C[C@H](O)C[N@H+]1Cc1ccccc1)c1nc(Cl)ccc1Cl ZINC000127139253 551337192 /nfs/dbraw/zinc/33/71/92/551337192.db2.gz YLMBZNSFRLSBPB-KGLIPLIRSA-N 1 0 380.275 2.754 20 0 GFADRO C[C@@H]([NH2+][C@@H](C)CCS(C)(=O)=O)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000127457569 551341187 /nfs/dbraw/zinc/34/11/87/551341187.db2.gz GEUUIFOODIKHGJ-LSDHHAIUSA-N 1 0 387.567 2.877 20 0 GFADRO COC(=O)[C@H](c1cc(Cl)cc(Cl)c1)N1CCC([N@H+](C)CCCO)CC1 ZINC000128014736 551345677 /nfs/dbraw/zinc/34/56/77/551345677.db2.gz BMSVICBHMLQGDZ-KRWDZBQOSA-N 1 0 389.323 2.986 20 0 GFADRO CC(=O)NCc1ccc(-c2nc(NC(=O)C[C@@H]3CC[NH2+]C3)sc2C)s1 ZINC000128311138 551348462 /nfs/dbraw/zinc/34/84/62/551348462.db2.gz HLOXBAILIWEZPD-LBPRGKRZSA-N 1 0 378.523 2.754 20 0 GFADRO [NH3+]C[C@H]1CC[C@@H](NC(=O)Nc2cc(F)c(I)c(F)c2)C1 ZINC000415118519 563759333 /nfs/dbraw/zinc/75/93/33/563759333.db2.gz JWBPNFQJVFLARC-JGVFFNPUSA-N 1 0 395.191 2.818 20 0 GFADRO CC(C)[C@H](C(=O)NC[C@@H]1CCN(c2ccc(Br)cc2)C1)[NH+](C)C ZINC000129704881 551358620 /nfs/dbraw/zinc/35/86/20/551358620.db2.gz FAESZFBCXLAQIM-WMLDXEAASA-N 1 0 382.346 2.978 20 0 GFADRO CCC(=O)N1CSC[C@@H]1C(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000129714520 551359492 /nfs/dbraw/zinc/35/94/92/551359492.db2.gz QLRLCSGIDVQGSK-CPUCHLNUSA-N 1 0 381.567 2.559 20 0 GFADRO CC(C)CS(=O)(=O)CCC(=O)NC[C@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000129849419 551360345 /nfs/dbraw/zinc/36/03/45/551360345.db2.gz KQOMFCXTTOEAQG-QAPCUYQASA-N 1 0 386.583 2.708 20 0 GFADRO COc1cc([C@H](C)NCC(C)(C)C[NH+](C)C)ccc1S(=O)(=O)C(F)F ZINC000132145974 551377662 /nfs/dbraw/zinc/37/76/62/551377662.db2.gz SHXIITNURFHDGA-LBPRGKRZSA-N 1 0 378.485 2.930 20 0 GFADRO Cc1c(Br)cccc1NC(=O)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000133167926 551382585 /nfs/dbraw/zinc/38/25/85/551382585.db2.gz JPFQNZKCNZVMDD-LBPRGKRZSA-N 1 0 384.318 2.789 20 0 GFADRO CC[C@]1(C(=O)N2CCN(C(=O)c3cc(Cl)cc(Cl)c3)CC2)CCC[NH2+]1 ZINC000134394113 551385262 /nfs/dbraw/zinc/38/52/62/551385262.db2.gz KTTIVXRCKIIIQP-GOSISDBHSA-N 1 0 384.307 2.810 20 0 GFADRO Cc1cc(S(=O)(=O)NC[C@@H](C)C[NH+]2CCCC2)sc1Br ZINC000150118052 551400086 /nfs/dbraw/zinc/40/00/86/551400086.db2.gz FFFOJHVEXCKGRZ-SNVBAGLBSA-N 1 0 381.361 2.829 20 0 GFADRO CC[NH+]1CCC(CNS(=O)(=O)c2cc(C)c(Br)s2)CC1 ZINC000150127772 551400225 /nfs/dbraw/zinc/40/02/25/551400225.db2.gz UKMLUDGPBCHPBV-UHFFFAOYSA-N 1 0 381.361 2.829 20 0 GFADRO C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)c1ccc(Br)cc1 ZINC000150845492 551402526 /nfs/dbraw/zinc/40/25/26/551402526.db2.gz XRRQPFBODLLYSB-UHFFFAOYSA-N 1 0 376.254 2.862 20 0 GFADRO COC(=O)CS(=O)(=O)Cc1ccc(C[NH2+]Cc2cccc(Cl)c2)cc1 ZINC000151319842 551411216 /nfs/dbraw/zinc/41/12/16/551411216.db2.gz WWPLSTMPQWFKSH-UHFFFAOYSA-N 1 0 381.881 2.718 20 0 GFADRO CCO[C@@H](CC[NH+](C)C)CNC(=O)Cc1c[nH]c2cc(Br)ccc12 ZINC000151534525 551416061 /nfs/dbraw/zinc/41/60/61/551416061.db2.gz UYPJABKWEGLVRT-HNNXBMFYSA-N 1 0 396.329 2.946 20 0 GFADRO Cn1cc(Br)cc1C[N@H+](C)CCC(=O)Nc1cc(N)ccc1F ZINC000151587749 551417109 /nfs/dbraw/zinc/41/71/09/551417109.db2.gz ZUKDSAHTQGPZNL-UHFFFAOYSA-N 1 0 383.265 2.970 20 0 GFADRO O=S(=O)(c1ccccc1OC(F)(F)F)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000151604639 551417487 /nfs/dbraw/zinc/41/74/87/551417487.db2.gz MNNUTWOKFDYART-CYBMUJFWSA-N 1 0 378.416 2.692 20 0 GFADRO CC(C)(O)C[NH+]1CCN(C(=O)N[C@H]2CCc3c2cccc3Br)CC1 ZINC000151610154 551417657 /nfs/dbraw/zinc/41/76/57/551417657.db2.gz YPDPDOIXVFOJDE-INIZCTEOSA-N 1 0 396.329 2.535 20 0 GFADRO O=S(=O)(c1ccccc1OC(F)(F)F)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000151604722 551417791 /nfs/dbraw/zinc/41/77/91/551417791.db2.gz MNNUTWOKFDYART-ZDUSSCGKSA-N 1 0 378.416 2.692 20 0 GFADRO O=S(=O)(c1ccc(C[NH2+][C@H]2CCC[C@@H](C3CC3)C2)s1)N1CCOCC1 ZINC000152148457 551426661 /nfs/dbraw/zinc/42/66/61/551426661.db2.gz DMZRICHCYWUQGM-CVEARBPZSA-N 1 0 384.567 2.827 20 0 GFADRO CCC[N@@H+]1CCCN(C(=O)Nc2ccc(NS(C)(=O)=O)c(Cl)c2)CC1 ZINC000152179361 551428139 /nfs/dbraw/zinc/42/81/39/551428139.db2.gz GMPKAWPMYXOQNZ-UHFFFAOYSA-N 1 0 388.921 2.661 20 0 GFADRO CNS(=O)(=O)c1cccc([C@H](C)[NH2+]CCc2nc(C(F)(F)F)cs2)c1 ZINC000152221248 551428434 /nfs/dbraw/zinc/42/84/34/551428434.db2.gz QWVFXRXXEHHXGS-JTQLQIEISA-N 1 0 393.456 2.963 20 0 GFADRO CN(CC[NH+](C)C)C(=O)NC1CCN(Cc2ccc(Br)cc2)CC1 ZINC000152366266 551432051 /nfs/dbraw/zinc/43/20/51/551432051.db2.gz DIODBBJIVGKTHS-UHFFFAOYSA-N 1 0 397.361 2.617 20 0 GFADRO COc1ccc(C(=O)N[C@@H]2CCN(c3ccccn3)C2)cc1Br ZINC000152563484 551435296 /nfs/dbraw/zinc/43/52/96/551435296.db2.gz IPWDGOIKPIBLHH-CYBMUJFWSA-N 1 0 376.254 2.861 20 0 GFADRO CCOc1cc(Br)c(NC(=O)[C@@]2(F)CC[NH2+]C2)cc1OCC ZINC000152695623 551438055 /nfs/dbraw/zinc/43/80/55/551438055.db2.gz PEONFURVDNVHSK-OAHLLOKOSA-N 1 0 375.238 2.887 20 0 GFADRO COC1(C(=O)NCC2(c3cccc(Br)c3)CCC2)CC[NH2+]CC1 ZINC000152682606 551438071 /nfs/dbraw/zinc/43/80/71/551438071.db2.gz PZHTZDVSIRXSPA-UHFFFAOYSA-N 1 0 381.314 2.756 20 0 GFADRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1cc(Br)ccc1O ZINC000152927054 551443157 /nfs/dbraw/zinc/44/31/57/551443157.db2.gz PNKXNYFTVAFRFY-WBVHZDCISA-N 1 0 397.313 2.652 20 0 GFADRO O=C(Nc1ccc(Br)cc1)C1CC[NH+](CC2(O)CCOCC2)CC1 ZINC000153005714 551444673 /nfs/dbraw/zinc/44/46/73/551444673.db2.gz AGUMMUFTZDLFSD-UHFFFAOYSA-N 1 0 397.313 2.641 20 0 GFADRO C[C@H](C[NH2+][C@H](C)CC(=O)Nc1cccc(Br)c1)CN1CCOCC1 ZINC000153116216 551446637 /nfs/dbraw/zinc/44/66/37/551446637.db2.gz RLTXJTZNJHFEAD-HUUCEWRRSA-N 1 0 398.345 2.724 20 0 GFADRO C[C@@H]1CN(C(=O)CCc2nc(-c3cc(Br)cs3)no2)C[C@@H](C)[NH2+]1 ZINC000153229040 551449152 /nfs/dbraw/zinc/44/91/52/551449152.db2.gz GYYFVWWGORRQSK-NXEZZACHSA-N 1 0 399.314 2.702 20 0 GFADRO C[C@H](Sc1ccnc2cc(Cl)ccc21)C(=O)NC[C@](C)(O)C[NH+](C)C ZINC000153491889 551453856 /nfs/dbraw/zinc/45/38/56/551453856.db2.gz FVLMHQCSDYBPJW-SGTLLEGYSA-N 1 0 381.929 2.798 20 0 GFADRO OCC[N@H+](CCOCC(F)(F)F)Cc1cc(Br)cc2c1OCC2 ZINC000153886900 551462536 /nfs/dbraw/zinc/46/25/36/551462536.db2.gz NMHUBPMTKFSWLZ-UHFFFAOYSA-N 1 0 398.219 2.757 20 0 GFADRO CCO[C@@H](CC[NH+](C)C)CNC(=O)Cc1cc(F)ccc1Br ZINC000154062441 551466500 /nfs/dbraw/zinc/46/65/00/551466500.db2.gz IBTIYZSZQGFTBP-AWEZNQCLSA-N 1 0 375.282 2.604 20 0 GFADRO C[NH+](C)CCN(CC[NH+](C)C)C(=O)N[C@H]1CCc2c1cccc2Br ZINC000154622839 551479375 /nfs/dbraw/zinc/47/93/75/551479375.db2.gz VTERWMHQWFHKKW-KRWDZBQOSA-N 1 0 397.361 2.571 20 0 GFADRO COCCN1CCC([NH2+][C@@H](C)CC(=O)Nc2cccc(Br)c2)CC1 ZINC000154818600 551483667 /nfs/dbraw/zinc/48/36/67/551483667.db2.gz WUOOEJUXPQQPAO-AWEZNQCLSA-N 1 0 398.345 2.867 20 0 GFADRO COCC[N@H+](C)CCCNC(=O)NC1(c2ccc(Br)cc2)CC1 ZINC000154822828 551483955 /nfs/dbraw/zinc/48/39/55/551483955.db2.gz JWLNUYJQMSOXJG-UHFFFAOYSA-N 1 0 384.318 2.706 20 0 GFADRO CN(CC1CC[NH+](C)CC1)C(=O)Cc1cccc(I)c1 ZINC000155039526 551489768 /nfs/dbraw/zinc/48/97/68/551489768.db2.gz RJIYEEBYBUYBKJ-UHFFFAOYSA-N 1 0 386.277 2.634 20 0 GFADRO CC[NH+]1CCC(NC(=O)c2cc(=O)[nH]c3ccc(Br)cc32)CC1 ZINC000155127954 551492127 /nfs/dbraw/zinc/49/21/27/551492127.db2.gz HTKZUNPOEVIKLW-UHFFFAOYSA-N 1 0 378.270 2.505 20 0 GFADRO [NH3+][C@@H](Cc1ccccc1)C(=O)N1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000155319873 551497092 /nfs/dbraw/zinc/49/70/92/551497092.db2.gz NOGJZFVXKSVNTL-ROUUACIJSA-N 1 0 389.293 2.919 20 0 GFADRO C[C@H]1C[NH+](C)C[C@H](C)N1C(=O)c1ccc(-n2cc(Br)cn2)cc1 ZINC000155344707 551497924 /nfs/dbraw/zinc/49/79/24/551497924.db2.gz RDVPAFKIVUMTEI-STQMWFEESA-N 1 0 377.286 2.799 20 0 GFADRO C[N@H+](CC(=O)NCCCc1nc(-c2ccncc2)cs1)[C@@H]1CCSC1 ZINC000155451080 551499900 /nfs/dbraw/zinc/49/99/00/551499900.db2.gz YIKGVPYASBBGEQ-OAHLLOKOSA-N 1 0 376.551 2.691 20 0 GFADRO C[C@H]1C[NH+](C)C[C@H](C)N1C(=O)Cc1csc(NC(=O)c2cccs2)n1 ZINC000155484549 551501006 /nfs/dbraw/zinc/50/10/06/551501006.db2.gz IMHDUFFWJQKXBD-RYUDHWBXSA-N 1 0 378.523 2.550 20 0 GFADRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C(=O)Nc2cccc(Br)c2)C1 ZINC000155496716 551501013 /nfs/dbraw/zinc/50/10/13/551501013.db2.gz FLOHZDJASLEPFH-CQSZACIVSA-N 1 0 396.329 2.872 20 0 GFADRO C[C@@H]1C[C@@H]([NH2+]CCCNC(=O)c2ccc(Br)cc2)CN1C1CC1 ZINC000156416389 551522609 /nfs/dbraw/zinc/52/26/09/551522609.db2.gz IDQJBTKFUGLWEC-CZUORRHYSA-N 1 0 380.330 2.784 20 0 GFADRO CC[N@H+](C)C[C@H]1CCN(S(=O)(=O)c2cc(F)ccc2Br)C1 ZINC000156470509 551523464 /nfs/dbraw/zinc/52/34/64/551523464.db2.gz CGHKDDFIJUUMQU-LLVKDONJSA-N 1 0 379.295 2.551 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)N(c3cc(Cl)cc(Cl)c3)C2)C1 ZINC000156576609 551525096 /nfs/dbraw/zinc/52/50/96/551525096.db2.gz QPBFVUIQFRQNES-YNEHKIRRSA-N 1 0 384.307 2.932 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)c2c(F)cccc2I)C1 ZINC000156589135 551525481 /nfs/dbraw/zinc/52/54/81/551525481.db2.gz AIRXJKWUMGSFTM-NXEZZACHSA-N 1 0 376.213 2.630 20 0 GFADRO CC(=O)N1CC[C@@H](C[N@@H+](C)Cc2nnc(-c3ccccc3Br)o2)C1 ZINC000156793037 551528759 /nfs/dbraw/zinc/52/87/59/551528759.db2.gz ZSUKFFKGWKHHEI-ZDUSSCGKSA-N 1 0 393.285 2.799 20 0 GFADRO C[C@H]1CCCN(C(=O)c2ccn(-c3cccc(Br)c3)n2)[C@H]1C[NH3+] ZINC000156977288 551531434 /nfs/dbraw/zinc/53/14/34/551531434.db2.gz ILNRFMVWMULMJT-LRDDRELGSA-N 1 0 377.286 2.834 20 0 GFADRO CS(=O)(=O)CCOCC[NH2+]Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000157139054 551533612 /nfs/dbraw/zinc/53/36/12/551533612.db2.gz RZZNOJLGBDZKML-UHFFFAOYSA-N 1 0 393.349 2.875 20 0 GFADRO O[C@@H](C[NH2+]C1(c2ccc(Br)cc2)CCC1)COC[C@H]1CCCO1 ZINC000157827240 551543295 /nfs/dbraw/zinc/54/32/95/551543295.db2.gz RTPVYRQXBZJNIC-DLBZAZTESA-N 1 0 384.314 2.974 20 0 GFADRO [NH3+]C[C@H]1CCC[C@H]1NC(=O)[C@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1 ZINC000157976294 551545505 /nfs/dbraw/zinc/54/55/05/551545505.db2.gz MHHMBTUAVAMEOR-DAXOMENPSA-N 1 0 384.307 2.842 20 0 GFADRO C[NH+](C)C1CN(C(=O)c2cccc(NC(=O)c3ccc(Br)o3)c2)C1 ZINC000158424007 551551938 /nfs/dbraw/zinc/55/19/38/551551938.db2.gz PXPZWEFDFFRQKZ-UHFFFAOYSA-N 1 0 392.253 2.680 20 0 GFADRO Cc1n[nH]c(C)c1S(=O)(=O)N1CCC([NH2+]Cc2cccc(Cl)c2)CC1 ZINC000158504686 551552811 /nfs/dbraw/zinc/55/28/11/551552811.db2.gz UDCFRCOHTUDOQW-UHFFFAOYSA-N 1 0 382.917 2.623 20 0 GFADRO Cc1cc(S(=O)(=O)N2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)c(C)s1 ZINC000158827232 551557544 /nfs/dbraw/zinc/55/75/44/551557544.db2.gz WMFHMZASTCQILA-GASCZTMLSA-N 1 0 385.599 2.544 20 0 GFADRO CN(CC[NH+](C)C)C(=O)Nc1ccnn1Cc1ccccc1Br ZINC000158931316 551558860 /nfs/dbraw/zinc/55/88/60/551558860.db2.gz MMYCQUYKWBVXDB-UHFFFAOYSA-N 1 0 380.290 2.719 20 0 GFADRO O=C([C@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000159292548 551563081 /nfs/dbraw/zinc/56/30/81/551563081.db2.gz XMWLDWMKIICEGA-KPZWWZAWSA-N 1 0 382.291 2.558 20 0 GFADRO C[C@H](CNC(=O)[C@H](C)c1ccc(Br)cc1)C[NH+]1CCN(C)CC1 ZINC000159359908 551563961 /nfs/dbraw/zinc/56/39/61/551563961.db2.gz MFTQWGLKCKUYES-HUUCEWRRSA-N 1 0 382.346 2.552 20 0 GFADRO C[C@@H](CNC(=O)[C@@H](C)c1ccc(Br)cc1)C[NH+]1CCN(C)CC1 ZINC000159359501 551564163 /nfs/dbraw/zinc/56/41/63/551564163.db2.gz MFTQWGLKCKUYES-GJZGRUSLSA-N 1 0 382.346 2.552 20 0 GFADRO CC(C)([NH3+])CNC(=O)c1cc(Br)ccc1I ZINC000159926691 551573109 /nfs/dbraw/zinc/57/31/09/551573109.db2.gz DTMGSRNGYZTMKN-UHFFFAOYSA-N 1 0 397.054 2.521 20 0 GFADRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)c2cc(Br)cnc2N(C)C)C1 ZINC000161878386 551599851 /nfs/dbraw/zinc/59/98/51/551599851.db2.gz XSOUQJILBZASPS-ZDUSSCGKSA-N 1 0 383.334 2.618 20 0 GFADRO COCC[NH2+]CC(=O)N[C@H](C)c1nc(-c2ccc(Br)cc2)cs1 ZINC000162054685 551603073 /nfs/dbraw/zinc/60/30/73/551603073.db2.gz SEEGKIKOFUVFNB-LLVKDONJSA-N 1 0 398.326 2.986 20 0 GFADRO CC[NH+]1CCC(N(C)S(=O)(=O)c2cc(F)c(Br)cc2F)CC1 ZINC000162078958 551603175 /nfs/dbraw/zinc/60/31/75/551603175.db2.gz SLVIMSYBCRLFSO-UHFFFAOYSA-N 1 0 397.285 2.832 20 0 GFADRO C[C@@H]1C[C@@H](N(C)S(=O)(=O)c2cc(F)c(Br)cc2F)CC[N@@H+]1C ZINC000162708127 551611905 /nfs/dbraw/zinc/61/19/05/551611905.db2.gz WMIVOSFIORRPJT-ZJUUUORDSA-N 1 0 397.285 2.831 20 0 GFADRO Cc1ccsc1-c1nnc(SCC(=O)NC2CC[NH+](C3CC3)CC2)o1 ZINC000163069905 551615601 /nfs/dbraw/zinc/61/56/01/551615601.db2.gz LXALBVWRTQCBBO-UHFFFAOYSA-N 1 0 378.523 2.942 20 0 GFADRO COc1ccc2c(c1)[C@H]([NH2+]C1CCN(S(=O)(=O)C(F)(F)F)CC1)CC2 ZINC000168068443 551634086 /nfs/dbraw/zinc/63/40/86/551634086.db2.gz DCKPCUDJMQRTDQ-OAHLLOKOSA-N 1 0 378.416 2.586 20 0 GFADRO Cc1c(Br)cccc1NC(=O)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000170702532 551638092 /nfs/dbraw/zinc/63/80/92/551638092.db2.gz WTCSOYLDKNBSKE-UHFFFAOYSA-N 1 0 394.313 2.687 20 0 GFADRO CC[C@H](C)[N@H+](C)CCNC(=O)Cc1cc2c(cc1Br)OCCO2 ZINC000170741225 551638628 /nfs/dbraw/zinc/63/86/28/551638628.db2.gz NLKHLUHKZLTAHM-LBPRGKRZSA-N 1 0 385.302 2.609 20 0 GFADRO C[C@H](CNC(=O)[C@@H](C)Oc1cc(Cl)cc(Cl)c1)C[NH+]1CCN(C)CC1 ZINC000170738903 551638667 /nfs/dbraw/zinc/63/86/67/551638667.db2.gz MUFVJKSTCMDYLF-ZIAGYGMSSA-N 1 0 388.339 2.760 20 0 GFADRO C[NH+](C)[C@@H]1CCN(C(=O)NC[C@H]2CCN(c3ccc(Br)cc3)C2)C1 ZINC000170832862 551640920 /nfs/dbraw/zinc/64/09/20/551640920.db2.gz MOVADAFNMGFEKY-RHSMWYFYSA-N 1 0 395.345 2.621 20 0 GFADRO Cc1ccc(I)c(C(=O)N2CC[C@H]([NH+]3CCCC3)C2)c1 ZINC000171454910 551656077 /nfs/dbraw/zinc/65/60/77/551656077.db2.gz VNOKIXCWPHWKJI-ZDUSSCGKSA-N 1 0 384.261 2.910 20 0 GFADRO CC1(C)CN(CC[NH2+]Cc2cc(Br)c3c(c2)OCCCO3)CCO1 ZINC000171766703 551662855 /nfs/dbraw/zinc/66/28/55/551662855.db2.gz QIZOHAHLVSZZGI-UHFFFAOYSA-N 1 0 399.329 2.811 20 0 GFADRO C[C@@H]([NH2+]Cc1cc(Br)c2c(c1)OCCO2)C(=O)NCc1ccco1 ZINC000171786081 551663898 /nfs/dbraw/zinc/66/38/98/551663898.db2.gz WBPPSGSPDVGILP-LLVKDONJSA-N 1 0 395.253 2.608 20 0 GFADRO C[C@H]([NH2+]Cc1cc(Br)c2c(c1)OCCO2)C(=O)NCc1ccco1 ZINC000171786079 551664042 /nfs/dbraw/zinc/66/40/42/551664042.db2.gz WBPPSGSPDVGILP-NSHDSACASA-N 1 0 395.253 2.608 20 0 GFADRO O=C(NCCC[NH+]1CCC(O)CC1)[C@H]1C[C@@H]1c1cccc(Br)c1 ZINC000172313240 551675923 /nfs/dbraw/zinc/67/59/23/551675923.db2.gz WPXWZPJAKOJSCR-SJORKVTESA-N 1 0 381.314 2.516 20 0 GFADRO O=C(COc1cc(Cl)c(Cl)cc1Cl)NCCC[NH+]1CCC(O)CC1 ZINC000172345219 551677186 /nfs/dbraw/zinc/67/71/86/551677186.db2.gz RODQHEAOKRIORU-UHFFFAOYSA-N 1 0 395.714 2.989 20 0 GFADRO O=C(CC[NH+]1CCC(NC(=O)C2CC2)CC1)Nc1cccc(Br)c1 ZINC000172415366 551678979 /nfs/dbraw/zinc/67/89/79/551678979.db2.gz MDPKNEWZRIKCMZ-UHFFFAOYSA-N 1 0 394.313 2.768 20 0 GFADRO CN(C)c1ncc(Br)cc1C(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000172707715 551685361 /nfs/dbraw/zinc/68/53/61/551685361.db2.gz XVVPAMSCONQBPD-CQSZACIVSA-N 1 0 395.345 2.858 20 0 GFADRO C[NH+]1CCC(C(=O)NCC2(c3ccc(Br)cc3)CCOCC2)CC1 ZINC000172740614 551686590 /nfs/dbraw/zinc/68/65/90/551686590.db2.gz JXUFCZQBDYTZGO-UHFFFAOYSA-N 1 0 395.341 2.955 20 0 GFADRO C[C@H](C(=O)NCC(C)(C)N1CCOCC1)c1ccc(Br)s1 ZINC000173083920 551694847 /nfs/dbraw/zinc/69/48/47/551694847.db2.gz RBQIXEGTUYMQQT-NSHDSACASA-N 1 0 375.332 2.841 20 0 GFADRO C[C@H]1CN=C(N2CCN(C(=O)Cc3coc(-c4cccs4)n3)CC2)S1 ZINC000173078446 551694953 /nfs/dbraw/zinc/69/49/53/551694953.db2.gz GVGOYZAUHXGRLE-LBPRGKRZSA-N 1 0 376.507 2.581 20 0 GFADRO C[C@@H](CCC[NH3+])NC(=O)C(=O)Nc1ccc(Br)c(C(F)(F)F)c1 ZINC000415771248 563795636 /nfs/dbraw/zinc/79/56/36/563795636.db2.gz CWWKYZRHJCVPHX-QMMMGPOBSA-N 1 0 396.207 2.650 20 0 GFADRO COc1cc(Cl)c(S(=O)(=O)N(C)[C@H]2CC[N@H+](C)C[C@H]2C)cc1Cl ZINC000173244908 552080620 /nfs/dbraw/zinc/08/06/20/552080620.db2.gz XUVHITHGTGHVNC-MFKMUULPSA-N 1 0 381.325 2.963 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2ccc(Br)s2)[C@H](C)C1 ZINC000173255094 552081171 /nfs/dbraw/zinc/08/11/71/552081171.db2.gz TZHFVDLYBYDSSO-MNOVXSKESA-N 1 0 381.361 2.861 20 0 GFADRO NC(=O)[C@@H](c1ccc(Br)cc1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000173598803 552088749 /nfs/dbraw/zinc/08/87/49/552088749.db2.gz QJDMUXLJYPDZDT-RHSMWYFYSA-N 1 0 380.330 2.783 20 0 GFADRO CCC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)C1 ZINC000173948180 552095726 /nfs/dbraw/zinc/09/57/26/552095726.db2.gz CTFOPWDLIQXXLD-ZDUSSCGKSA-N 1 0 380.432 2.938 20 0 GFADRO Cn1ccc(N2CCC[C@H]([NH2+][C@@H]3CCc4c3cccc4Br)C2=O)n1 ZINC000174049111 552097929 /nfs/dbraw/zinc/09/79/29/552097929.db2.gz GHLHMVIFGRFWEE-CVEARBPZSA-N 1 0 389.297 2.955 20 0 GFADRO CC(C)[NH+](CCCNC(=O)CNC(=O)c1cccc(Br)c1)C(C)C ZINC000174097630 552099015 /nfs/dbraw/zinc/09/90/15/552099015.db2.gz HIUGBXWJUWJRKM-UHFFFAOYSA-N 1 0 398.345 2.804 20 0 GFADRO CC(C)Oc1cc(Br)cc(C(=O)N[C@H](C)CN2CC[NH+](C)CC2)c1 ZINC000174203283 552102386 /nfs/dbraw/zinc/10/23/86/552102386.db2.gz XTSDLIBHJKZJEX-CQSZACIVSA-N 1 0 398.345 2.602 20 0 GFADRO CS(=O)(=O)c1ccc(Cl)c(C(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000174557348 552106322 /nfs/dbraw/zinc/10/63/22/552106322.db2.gz OEQXBRTZLZBZAC-AWEZNQCLSA-N 1 0 384.929 2.692 20 0 GFADRO CCC[N@H+](CC)CCNC(=O)[C@H]1CCN(c2ccccc2Br)C1=O ZINC000174673029 552108267 /nfs/dbraw/zinc/10/82/67/552108267.db2.gz QMXXQNUCOIUZHI-CQSZACIVSA-N 1 0 396.329 2.650 20 0 GFADRO CC(=O)Nc1cc(F)c(S(=O)(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)cc1Cl ZINC000175085653 552115101 /nfs/dbraw/zinc/11/51/01/552115101.db2.gz CRUJIDCGLARLHJ-VXGBXAGGSA-N 1 0 391.896 2.589 20 0 GFADRO COc1cc(S(=O)(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)ccc1Br ZINC000175092684 552115756 /nfs/dbraw/zinc/11/57/56/552115756.db2.gz MUBNNNZWCXKFTO-NWDGAFQWSA-N 1 0 391.331 2.609 20 0 GFADRO O=C(CC1([NH+]2CCOCC2)CCCC1)NCc1nc(C(F)(F)F)cs1 ZINC000175135469 552116156 /nfs/dbraw/zinc/11/61/56/552116156.db2.gz WCEVLOXMZNMZAO-UHFFFAOYSA-N 1 0 377.432 2.813 20 0 GFADRO C[C@@H](N1CCN(C(=O)NC[C@@H](c2cccs2)[NH+](C)C)CC1)C(F)(F)F ZINC000175545666 552124583 /nfs/dbraw/zinc/12/45/83/552124583.db2.gz QBKKQRPQLIHHFQ-OLZOCXBDSA-N 1 0 378.464 2.629 20 0 GFADRO CC[NH+]1CCN([C@H]2CCN(C(=O)c3cc(Cl)c(Cl)cc3OC)C2)CC1 ZINC000176531783 552140870 /nfs/dbraw/zinc/14/08/70/552140870.db2.gz BBDBKFVCABUARO-ZDUSSCGKSA-N 1 0 386.323 2.854 20 0 GFADRO Cc1nn(-c2ccc(C(=O)N(C)CC[NH+](C)C)cc2)c(C)c1Br ZINC000176804452 552146268 /nfs/dbraw/zinc/14/62/68/552146268.db2.gz FXAWCXHBKIGZRO-UHFFFAOYSA-N 1 0 379.302 2.885 20 0 GFADRO Cc1ccc(C(=O)NC[C@@H](C(C)C)[NH+]2CCN(C)CC2)cc1Br ZINC000176826766 552146592 /nfs/dbraw/zinc/14/65/92/552146592.db2.gz LBAHMQSMPRECFY-KRWDZBQOSA-N 1 0 382.346 2.759 20 0 GFADRO O=C(c1cc2ccc(Br)cc2[nH]1)N1CC[NH+](C2CCOCC2)CC1 ZINC000176825285 552146758 /nfs/dbraw/zinc/14/67/58/552146758.db2.gz ODXGOWCJABFJHF-UHFFFAOYSA-N 1 0 392.297 2.867 20 0 GFADRO CCO[C@H](CC[NH+](C)C)CNC(=O)Cc1ccc(F)c(Br)c1 ZINC000176855994 552147279 /nfs/dbraw/zinc/14/72/79/552147279.db2.gz OIPQYSIDYQNEQW-CYBMUJFWSA-N 1 0 375.282 2.604 20 0 GFADRO C[N@@H+]1CCC[C@H](CNC(=O)NCC[S@@](=O)C(C)(C)C)[C@H]1c1cccs1 ZINC000176851416 552147316 /nfs/dbraw/zinc/14/73/16/552147316.db2.gz DWVBMAQCGFKKCV-PYCCUYLESA-N 1 0 385.599 2.977 20 0 GFADRO CCO[C@@H](CC[NH+](C)C)CNC(=O)c1sc(C)c(Br)c1OC ZINC000176863176 552147870 /nfs/dbraw/zinc/14/78/70/552147870.db2.gz NMWBJUFFMFYLPR-NSHDSACASA-N 1 0 393.347 2.914 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)c2cnn(-c3ccc(Br)cc3)c2)C[N@@H+]1C1CC1 ZINC000177165037 552150737 /nfs/dbraw/zinc/15/07/37/552150737.db2.gz MZDLQJFIZOHDJB-IUODEOHRSA-N 1 0 389.297 2.990 20 0 GFADRO C[C@@H]([NH2+]CCN1CCN(c2ncccn2)CC1)c1ccc(Br)cc1 ZINC000177229170 552151597 /nfs/dbraw/zinc/15/15/97/552151597.db2.gz FITAPVMUDZXTNK-OAHLLOKOSA-N 1 0 390.329 2.712 20 0 GFADRO COc1ccc(Br)cc1CNC(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000177738277 552158085 /nfs/dbraw/zinc/15/80/85/552158085.db2.gz BCYGLMZXTRSEKO-SMDDNHRTSA-N 1 0 382.302 2.882 20 0 GFADRO C[C@H](CNC(=O)N[C@@H](CO)c1cccc(Br)c1)C[NH+]1CCCCC1 ZINC000177977306 552162177 /nfs/dbraw/zinc/16/21/77/552162177.db2.gz AXHBJJNWXLVDJD-PBHICJAKSA-N 1 0 398.345 2.904 20 0 GFADRO COc1ccc([C@@H](C)[NH2+]CC2CCN(S(=O)(=O)C(F)(F)F)CC2)cc1 ZINC000178109440 552164023 /nfs/dbraw/zinc/16/40/23/552164023.db2.gz BPASALAOESCQIR-GFCCVEGCSA-N 1 0 380.432 2.907 20 0 GFADRO C[C@H](Oc1cccc(Cl)c1Cl)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000178123351 552164521 /nfs/dbraw/zinc/16/45/21/552164521.db2.gz BOVISXRWAPDUSE-UONOGXRCSA-N 1 0 387.307 2.941 20 0 GFADRO O=C(c1n[nH]c2ccc(Br)cc21)N1CCC([NH2+]CC2CC2)CC1 ZINC000178180775 552166484 /nfs/dbraw/zinc/16/64/84/552166484.db2.gz VAWANKUKMDWMNN-UHFFFAOYSA-N 1 0 377.286 2.930 20 0 GFADRO CSc1ccc(Cl)cc1NC(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000178453222 552170649 /nfs/dbraw/zinc/17/06/49/552170649.db2.gz QCRRICAXXUCRMU-WFASDCNBSA-N 1 0 381.929 2.943 20 0 GFADRO C[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)C1 ZINC000178964161 552181007 /nfs/dbraw/zinc/18/10/07/552181007.db2.gz OEBYXPIPAUWQHM-MLGOLLRUSA-N 1 0 384.307 2.666 20 0 GFADRO C[NH+](C)C[C@@](C)(O)CNCc1ccc(Br)c(Br)c1 ZINC000178999924 552181594 /nfs/dbraw/zinc/18/15/94/552181594.db2.gz UYPDMAVIIDFAMX-ZDUSSCGKSA-N 1 0 380.124 2.614 20 0 GFADRO C[NH+](C)C[C@](C)(O)CNCc1ccc(Br)c(Br)c1 ZINC000178999911 552181859 /nfs/dbraw/zinc/18/18/59/552181859.db2.gz UYPDMAVIIDFAMX-CYBMUJFWSA-N 1 0 380.124 2.614 20 0 GFADRO CN(C(=O)c1nn(-c2cccc(Br)c2)c2c1CCC2)[C@@H]1CC[NH2+]C1 ZINC000179125363 552184984 /nfs/dbraw/zinc/18/49/84/552184984.db2.gz UTDPBLVSMSIEGB-CQSZACIVSA-N 1 0 389.297 2.557 20 0 GFADRO Cc1cccc(C(=O)N2CC[NH+](CC3CCOCC3)CC2)c1Br ZINC000179339946 552190719 /nfs/dbraw/zinc/19/07/19/552190719.db2.gz JZYFONDPHNCJIX-UHFFFAOYSA-N 1 0 381.314 2.942 20 0 GFADRO Cc1cc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)c(C)s1 ZINC000179372972 552191295 /nfs/dbraw/zinc/19/12/95/552191295.db2.gz XAJVQTQGMDGGMN-NEPJUHHUSA-N 1 0 381.523 2.690 20 0 GFADRO Cc1cc([C@H](C)[NH2+][C@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)c(C)s1 ZINC000179373016 552191305 /nfs/dbraw/zinc/19/13/05/552191305.db2.gz XAJVQTQGMDGGMN-NWDGAFQWSA-N 1 0 381.523 2.690 20 0 GFADRO CNS(=O)(=O)c1cccc([C@H](C)[NH2+]C[C@H](O)c2ccc(Cl)c(F)c2)c1 ZINC000179502031 552195036 /nfs/dbraw/zinc/19/50/36/552195036.db2.gz HGJOKTJMSDQGKB-GTNSWQLSSA-N 1 0 386.876 2.771 20 0 GFADRO C[C@@H]([NH2+]CCCc1nc2c(s1)CCCC2)c1ccc(S(N)(=O)=O)cc1 ZINC000180085690 552212800 /nfs/dbraw/zinc/21/28/00/552212800.db2.gz KUUWVNRNEAARRW-CYBMUJFWSA-N 1 0 379.551 2.953 20 0 GFADRO C[C@H]([NH2+]CCNC(=O)c1ccn[nH]1)c1cc2cc(Br)ccc2o1 ZINC000180213045 552218017 /nfs/dbraw/zinc/21/80/17/552218017.db2.gz LUOCWUFPGZNJCK-JTQLQIEISA-N 1 0 377.242 2.999 20 0 GFADRO C[N@@H+]1CC[C@H](CNC(=O)c2coc(-c3ccc(Br)cc3F)n2)C1 ZINC000180838026 552236997 /nfs/dbraw/zinc/23/69/97/552236997.db2.gz PFOCPSQBVZSGKH-SNVBAGLBSA-N 1 0 382.233 2.925 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH2+]CCCOCCO ZINC000181224838 552250590 /nfs/dbraw/zinc/25/05/90/552250590.db2.gz AGNJEIQFGLIGLF-UHFFFAOYSA-N 1 0 382.302 2.740 20 0 GFADRO Cc1cc(Br)ccc1CC(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000181293970 552252171 /nfs/dbraw/zinc/25/21/71/552252171.db2.gz XINZYUCFCAXTJQ-UHFFFAOYSA-N 1 0 381.314 2.623 20 0 GFADRO C[C@H]([NH2+]CCOc1ccc(Cl)cn1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000181323111 552253578 /nfs/dbraw/zinc/25/35/78/552253578.db2.gz FKXGHONHDDCZPZ-ZDUSSCGKSA-N 1 0 383.901 2.715 20 0 GFADRO Cc1nc(Br)ccc1NC(=O)NCCCC[N@@H+]1CCC[C@@H]1CO ZINC000181352147 552253937 /nfs/dbraw/zinc/25/39/37/552253937.db2.gz IEJGFCVBPCBDDX-CYBMUJFWSA-N 1 0 385.306 2.511 20 0 GFADRO O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)C(=O)Nc1cccnc1Cl ZINC000181356346 552254178 /nfs/dbraw/zinc/25/41/78/552254178.db2.gz TUJFICXCZJMASK-ZDUSSCGKSA-N 1 0 378.885 2.688 20 0 GFADRO C[C@@H]1CCC[C@H]([NH+]2CCC(NCCNS(=O)(=O)c3cccs3)CC2)C1 ZINC000181533395 552260066 /nfs/dbraw/zinc/26/00/66/552260066.db2.gz LSRJVPZLAVIAAK-WBVHZDCISA-N 1 0 385.599 2.659 20 0 GFADRO Cc1cccc(C[C@H]([NH2+]C[C@H](O)CS(=O)(=O)c2cccs2)C2CC2)c1 ZINC000181642135 552264117 /nfs/dbraw/zinc/26/41/17/552264117.db2.gz IAHWDEMMLFYHJC-ROUUACIJSA-N 1 0 379.547 2.802 20 0 GFADRO Cc1c(C(=O)N(C)CCC[NH+](C)C)cnn1-c1ccc(Br)cc1 ZINC000181937566 552271144 /nfs/dbraw/zinc/27/11/44/552271144.db2.gz ONZXCRFJESRFKW-UHFFFAOYSA-N 1 0 379.302 2.967 20 0 GFADRO NC(=O)C[C@H]([NH2+]CC(=O)Nc1ccccc1Br)C1CCCCC1 ZINC000181989206 552272190 /nfs/dbraw/zinc/27/21/90/552272190.db2.gz UUMHAAFGVMABPN-HNNXBMFYSA-N 1 0 382.302 2.802 20 0 GFADRO CC[N@H+](CCCc1ccc(Br)cc1OC)[C@@H]1CCS(=O)(=O)C1 ZINC000182049498 552274017 /nfs/dbraw/zinc/27/40/17/552274017.db2.gz UFNOYEDDCJOVTA-OAHLLOKOSA-N 1 0 390.343 2.899 20 0 GFADRO O[C@H](COc1ccccc1C(F)(F)F)C[N@@H+]1CCS[C@H]2COCC[C@@H]21 ZINC000182036483 552273800 /nfs/dbraw/zinc/27/38/00/552273800.db2.gz LHHRBQRHWNKTSL-NOLJZWGESA-N 1 0 377.428 2.651 20 0 GFADRO Cc1cc(NC(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)cnc1Br ZINC000182434356 552283831 /nfs/dbraw/zinc/28/38/31/552283831.db2.gz MGYHOIOUDYIIEJ-ZDUSSCGKSA-N 1 0 397.317 2.775 20 0 GFADRO COC(=O)c1cc(NC(=O)N2CC[NH+](C(C)C)CC2)ccc1Br ZINC000182623073 552288954 /nfs/dbraw/zinc/28/89/54/552288954.db2.gz CSWUZERQKNYJMN-UHFFFAOYSA-N 1 0 384.274 2.794 20 0 GFADRO COC(=O)c1cc(NC(=O)N2CC[C@@H]3CC[C@H](C2)[N@@H+]3C)ccc1Br ZINC000182640890 552289575 /nfs/dbraw/zinc/28/95/75/552289575.db2.gz WJPXWEVLHJDNCK-QWHCGFSZSA-N 1 0 396.285 2.936 20 0 GFADRO COc1ccc(Cl)cc1NC(=O)CC[NH2+][C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000183069101 552299891 /nfs/dbraw/zinc/29/98/91/552299891.db2.gz XPCMDZCSGRORNG-BBRMVZONSA-N 1 0 388.917 2.623 20 0 GFADRO Cc1[nH]cc(C(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)c(=O)c1Br ZINC000183199508 552302764 /nfs/dbraw/zinc/30/27/64/552302764.db2.gz LVWDWDYJZSKVCB-ZDUSSCGKSA-N 1 0 382.302 2.949 20 0 GFADRO CC(C)[C@H]([NH3+])CCN(C)S(=O)(=O)c1cc(N(C)C)ccc1Br ZINC000183192850 552302832 /nfs/dbraw/zinc/30/28/32/552302832.db2.gz ABDUVWZCZOPHSN-CQSZACIVSA-N 1 0 392.363 2.509 20 0 GFADRO CCNC(=O)C(C)(C)C[NH2+][C@H](C)CC(=O)Nc1cccc(Br)c1 ZINC000183205876 552303186 /nfs/dbraw/zinc/30/31/86/552303186.db2.gz UZVISXCPXGASAQ-GFCCVEGCSA-N 1 0 384.318 2.918 20 0 GFADRO CS(=O)(=O)[C@H]1CCCC[C@H]1[NH2+]CCc1nc(-c2cccc(Cl)c2)no1 ZINC000183278638 552305042 /nfs/dbraw/zinc/30/50/42/552305042.db2.gz OZVKTSDYWGJWRE-CABCVRRESA-N 1 0 383.901 2.878 20 0 GFADRO Cc1c([C@@H](C)[NH2+]CC(=O)Nc2cccc(I)c2)cnn1C ZINC000183344935 552306686 /nfs/dbraw/zinc/30/66/86/552306686.db2.gz SBKLIPOAQLQMKQ-SNVBAGLBSA-N 1 0 398.248 2.622 20 0 GFADRO CNc1nnc(CC(=O)NC[C@H](c2cccs2)[NH+]2CCC(C)CC2)s1 ZINC000183473004 552310690 /nfs/dbraw/zinc/31/06/90/552310690.db2.gz XAZNWFZKVRNZJM-CYBMUJFWSA-N 1 0 379.555 2.773 20 0 GFADRO O=C1C[C@H]([NH2+]Cc2cncc(Br)c2)CN1CCOc1ccccc1 ZINC000183719440 552317547 /nfs/dbraw/zinc/31/75/47/552317547.db2.gz UPKRHDYIEYRDCE-INIZCTEOSA-N 1 0 390.281 2.614 20 0 GFADRO C[NH+](C)C1(CNCc2cn(-c3ccc(Cl)c(Cl)c3)nn2)CCOCC1 ZINC000183760859 552318814 /nfs/dbraw/zinc/31/88/14/552318814.db2.gz NVJABCAVPKKWQI-UHFFFAOYSA-N 1 0 384.311 2.775 20 0 GFADRO C[C@H](CC(=O)OC(C)(C)C)[NH2+]CCNC(=O)c1cccc(Br)c1 ZINC000183901646 552322052 /nfs/dbraw/zinc/32/20/52/552322052.db2.gz SCGYBDCIAVKRDY-GFCCVEGCSA-N 1 0 385.302 2.889 20 0 GFADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)Nc1ccc(F)cc1Br ZINC000184130177 552328235 /nfs/dbraw/zinc/32/82/35/552328235.db2.gz FKQJRPDLSKITMD-LBPRGKRZSA-N 1 0 387.297 2.736 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1cc(Cl)cc(C(F)(F)F)c1 ZINC000184298303 552331740 /nfs/dbraw/zinc/33/17/40/552331740.db2.gz YDCPJSQCCOQLFI-CYBMUJFWSA-N 1 0 377.794 2.898 20 0 GFADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)/C=C/c1cc(Br)ccc1F ZINC000184355497 552333411 /nfs/dbraw/zinc/33/34/11/552333411.db2.gz LYABTMXPKOOPMF-BOTMBNHJSA-N 1 0 398.320 2.744 20 0 GFADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)c1ccc(C2SCCS2)cc1 ZINC000184359705 552333548 /nfs/dbraw/zinc/33/35/48/552333548.db2.gz RQDGQDCXHIOUKK-OAHLLOKOSA-N 1 0 379.595 2.921 20 0 GFADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)Nc1ccc(Cl)cc1OC(F)F ZINC000184378099 552334059 /nfs/dbraw/zinc/33/40/59/552334059.db2.gz IOMGOBZXTFZMDF-LLVKDONJSA-N 1 0 376.835 2.699 20 0 GFADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)C(C)(C)c1ccc(Br)cc1 ZINC000184376420 552334283 /nfs/dbraw/zinc/33/42/83/552334283.db2.gz HWKNOGYRBFBTSV-HNNXBMFYSA-N 1 0 396.373 2.869 20 0 GFADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)c1cc(Br)ccc1Cl ZINC000184385614 552334843 /nfs/dbraw/zinc/33/48/43/552334843.db2.gz PULFTIQPDFUYNP-GFCCVEGCSA-N 1 0 388.737 2.858 20 0 GFADRO Cc1ccc(Br)c(NC(=O)N[C@@H](C)CC[NH+]2CCN(C)CC2)c1 ZINC000184576807 552339365 /nfs/dbraw/zinc/33/93/65/552339365.db2.gz OKBZYJQAZVOSGN-AWEZNQCLSA-N 1 0 383.334 2.905 20 0 GFADRO CC[N@H+](C)C[C@H]1CCN(S(=O)(=O)c2ccc(Br)cc2F)C1 ZINC000184989338 552350043 /nfs/dbraw/zinc/35/00/43/552350043.db2.gz DJTFMUCKMXSNRF-LLVKDONJSA-N 1 0 379.295 2.551 20 0 GFADRO C[NH+](C)CC1(CNS(=O)(=O)c2ccccc2Br)CCCC1 ZINC000185095141 552353855 /nfs/dbraw/zinc/35/38/55/552353855.db2.gz ILDVEUGWBMBWAS-UHFFFAOYSA-N 1 0 375.332 2.849 20 0 GFADRO CCn1cc(C[NH2+][C@H]2CCN(c3ccc(Br)c(C)c3)C2=O)cn1 ZINC000185188288 552356951 /nfs/dbraw/zinc/35/69/51/552356951.db2.gz JUROYWJVOWBRME-INIZCTEOSA-N 1 0 377.286 2.869 20 0 GFADRO CC[NH+]1CCN([C@H]2CCN(C(=O)c3csc(Br)c3C)C2)CC1 ZINC000185335923 552360762 /nfs/dbraw/zinc/36/07/62/552360762.db2.gz OGIAVFIFVJMTAD-ZDUSSCGKSA-N 1 0 386.359 2.671 20 0 GFADRO CNS(=O)(=O)c1cccc([C@H](C)[NH2+]C[C@](C)(O)c2cccc(Cl)c2)c1 ZINC000185314885 552360968 /nfs/dbraw/zinc/36/09/68/552360968.db2.gz BLWXHQCGZFKBEX-UGSOOPFHSA-N 1 0 382.913 2.806 20 0 GFADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)N[C@@H](C)c1ccc(Br)cc1 ZINC000185458384 552364118 /nfs/dbraw/zinc/36/41/18/552364118.db2.gz MSIUGEHOXJAYJZ-GJZGRUSLSA-N 1 0 397.361 2.835 20 0 GFADRO Cc1ccc(CCC(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)c(Br)c1 ZINC000185634729 552367618 /nfs/dbraw/zinc/36/76/18/552367618.db2.gz RSXPBCWLEYUSCJ-MRXNPFEDSA-N 1 0 395.341 2.871 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)N(C)CCC[NH+](C)C ZINC000185819827 552371314 /nfs/dbraw/zinc/37/13/14/552371314.db2.gz XLPYDMOJIKMRDA-UHFFFAOYSA-N 1 0 399.333 2.679 20 0 GFADRO C[C@@H](Cn1cc(Br)cn1)[NH2+]C1CCC(O)(c2cccnc2)CC1 ZINC000186341047 552385595 /nfs/dbraw/zinc/38/55/95/552385595.db2.gz KAFGMVJJHORCED-IGEOTXOUSA-N 1 0 379.302 2.849 20 0 GFADRO CCCOc1c(Br)cc(C(=O)NCC2=CC[NH2+]CC2)cc1OC ZINC000186366818 552386418 /nfs/dbraw/zinc/38/64/18/552386418.db2.gz TZCCEZXWOUCFLK-UHFFFAOYSA-N 1 0 383.286 2.896 20 0 GFADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N[C@@H](C)c1ccccc1Cl ZINC000186603986 552391698 /nfs/dbraw/zinc/39/16/98/552391698.db2.gz WBEGYLUADQWEHP-LBPRGKRZSA-N 1 0 384.933 2.754 20 0 GFADRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)Nc1cc(F)ccc1Br ZINC000186699274 552395330 /nfs/dbraw/zinc/39/53/30/552395330.db2.gz NOAXWYKPCRTUKB-LLVKDONJSA-N 1 0 388.281 2.897 20 0 GFADRO COc1c(Br)cccc1CN1CCN(CC[NH+]2CCCC2)CC1 ZINC000186837437 552399171 /nfs/dbraw/zinc/39/91/71/552399171.db2.gz DJBFXWIZCUVUDO-UHFFFAOYSA-N 1 0 382.346 2.671 20 0 GFADRO COc1nc(C)c(Br)cc1C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000186865462 552400048 /nfs/dbraw/zinc/40/00/48/552400048.db2.gz NMDNKSNVVZFBQK-DOMZBBRYSA-N 1 0 382.302 2.717 20 0 GFADRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)c1[nH]c2ccccc2c1Br ZINC000186951662 552402372 /nfs/dbraw/zinc/40/23/72/552402372.db2.gz DDOGYZANOHZZQB-GFCCVEGCSA-N 1 0 394.313 2.848 20 0 GFADRO CC(C)(CNC(=O)NCC[N@@H+]1CCCOCC1)c1ccc(Br)cc1 ZINC000186976380 552402918 /nfs/dbraw/zinc/40/29/18/552402918.db2.gz BLHSRVNOCWTVAR-UHFFFAOYSA-N 1 0 398.345 2.748 20 0 GFADRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)CCOc1cccc(Br)c1 ZINC000186965982 552403028 /nfs/dbraw/zinc/40/30/28/552403028.db2.gz VPKOXZIRYLSBQN-CQSZACIVSA-N 1 0 399.329 2.522 20 0 GFADRO CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]C[C@H](C(C)C)N1CCOCC1 ZINC000187107082 552406413 /nfs/dbraw/zinc/40/64/13/552406413.db2.gz BTCBIDOISOXEDK-QGZVFWFLSA-N 1 0 388.961 2.580 20 0 GFADRO COc1cnccc1[C@H](C)[NH2+]C[C@@H](O)COc1ccc(Br)cc1 ZINC000187105365 552406603 /nfs/dbraw/zinc/40/66/03/552406603.db2.gz YWKLMWIXAYOYHJ-GXTWGEPZSA-N 1 0 381.270 2.943 20 0 GFADRO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1cc(F)c(Br)cc1C ZINC000187169763 552408169 /nfs/dbraw/zinc/40/81/69/552408169.db2.gz YCEMSSDFCXQTNJ-NSHDSACASA-N 1 0 388.281 2.682 20 0 GFADRO O=C(Nc1ccc(COc2ccc(Br)cc2)cc1)[C@H]1C[NH2+]CCO1 ZINC000187281753 552411640 /nfs/dbraw/zinc/41/16/40/552411640.db2.gz TWSWYZDSGTWOPF-QGZVFWFLSA-N 1 0 391.265 2.955 20 0 GFADRO OC[C@@H](Cc1ccccc1)[NH2+]Cc1cc(Br)c2c(c1)OCCO2 ZINC000187367040 552413755 /nfs/dbraw/zinc/41/37/55/552413755.db2.gz MQCSEFWYBCMCIX-OAHLLOKOSA-N 1 0 378.266 2.914 20 0 GFADRO Nc1c(Br)cc(Br)cc1C[NH2+]CCN1CCCC1 ZINC000187493565 552417053 /nfs/dbraw/zinc/41/70/53/552417053.db2.gz WVSNJWBIIOPQMQ-UHFFFAOYSA-N 1 0 377.124 2.979 20 0 GFADRO CCO[C@@H]1C[C@@]([NH3+])(C(=O)NCCc2cc(Br)ccc2F)C1(C)C ZINC000187486972 552417190 /nfs/dbraw/zinc/41/71/90/552417190.db2.gz PWSFDFADWHXJRT-RHSMWYFYSA-N 1 0 387.293 2.779 20 0 GFADRO COc1cc(Br)ccc1C[NH2+][C@@H](C)C1CCS(=O)(=O)CC1 ZINC000187574120 552419529 /nfs/dbraw/zinc/41/95/29/552419529.db2.gz IZHCGAYUMGCGRT-NSHDSACASA-N 1 0 376.316 2.761 20 0 GFADRO COc1cc(Br)cc(C)c1NC(=O)NCC[N@@H+]1CCCOCC1 ZINC000187801328 552424844 /nfs/dbraw/zinc/42/48/44/552424844.db2.gz SHAJQOFDAGPKLG-UHFFFAOYSA-N 1 0 386.290 2.610 20 0 GFADRO Cc1cc(S(=O)(=O)N2CCC(OCC[NH+]3CCCC3)CC2)sc1Cl ZINC000188072289 552433700 /nfs/dbraw/zinc/43/37/00/552433700.db2.gz PEHWUWRCDADNOS-UHFFFAOYSA-N 1 0 392.974 2.975 20 0 GFADRO CN(C)Cc1nc(C(C)(C)NC(=O)Cc2ccc(F)cc2Br)no1 ZINC000188080303 552433991 /nfs/dbraw/zinc/43/39/91/552433991.db2.gz AFSJCSLPJJACCY-UHFFFAOYSA-N 1 0 399.264 2.627 20 0 GFADRO Cc1cc(Br)cc(NC(=O)C(=O)N[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)c1 ZINC000188078119 552434223 /nfs/dbraw/zinc/43/42/23/552434223.db2.gz GIACZQHAMPCGNM-JSGCOSHPSA-N 1 0 396.329 2.933 20 0 GFADRO Cc1cc(Br)cc(NC(=O)C(=O)NC[C@H](C)C[NH+]2CCCCC2)c1 ZINC000188077163 552434252 /nfs/dbraw/zinc/43/42/52/552434252.db2.gz RLNZEIGODYTZKP-AWEZNQCLSA-N 1 0 396.329 2.934 20 0 GFADRO CC[NH+]1CCC(CCNC(=O)C(=O)Nc2cc(C)cc(Br)c2)CC1 ZINC000188109904 552435766 /nfs/dbraw/zinc/43/57/66/552435766.db2.gz JBWWWANEGMBCRS-UHFFFAOYSA-N 1 0 396.329 2.934 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)cc1Br ZINC000188124221 552436071 /nfs/dbraw/zinc/43/60/71/552436071.db2.gz SIDASSWGIKQTHP-KGLIPLIRSA-N 1 0 396.329 2.993 20 0 GFADRO Cc1csc(C(=O)NCC(C)(C)C[NH+](C)C)c1I ZINC000188660412 552451476 /nfs/dbraw/zinc/45/14/76/552451476.db2.gz VULQKZHFPNJDBP-UHFFFAOYSA-N 1 0 380.295 2.979 20 0 GFADRO C[C@@H](O)C[NH+]1CCN(Cc2ccc(OC(F)F)c(Br)c2)CC1 ZINC000188725393 552453471 /nfs/dbraw/zinc/45/34/71/552453471.db2.gz ZVWMZMSYAVRWEQ-LLVKDONJSA-N 1 0 379.245 2.549 20 0 GFADRO C[C@@H]1CN(C(=O)CCc2cc(Br)cs2)CC[N@@H+]1CC(C)(C)O ZINC000188717099 552453547 /nfs/dbraw/zinc/45/35/47/552453547.db2.gz UCORWNXJOUREKM-GFCCVEGCSA-N 1 0 389.359 2.747 20 0 GFADRO CCO[C@H](CC[NH+](C)C)CNC(=O)c1cc(Br)ncc1Cl ZINC000188914285 552458504 /nfs/dbraw/zinc/45/85/04/552458504.db2.gz FTZAIXPOVUXCTE-SNVBAGLBSA-N 1 0 378.698 2.584 20 0 GFADRO CN(CC1([NH+](C)C)CCC1)S(=O)(=O)c1cc(Br)ccc1F ZINC000189131496 552464160 /nfs/dbraw/zinc/46/41/60/552464160.db2.gz JKZYXBVQLAVKMS-UHFFFAOYSA-N 1 0 379.295 2.693 20 0 GFADRO O=C(NCC[N@@H+]1CCCOCC1)C1(c2ccc(Br)cc2)CCC1 ZINC000189357742 552469585 /nfs/dbraw/zinc/46/95/85/552469585.db2.gz ZZFNFVDVMLNXQI-UHFFFAOYSA-N 1 0 381.314 2.709 20 0 GFADRO CC(C)[N@@H+]1CCO[C@@H](CN2CCN(C(=O)Nc3ccsc3Cl)CC2)C1 ZINC000189393762 552470073 /nfs/dbraw/zinc/47/00/73/552470073.db2.gz ASFNRKJXHPNVDM-AWEZNQCLSA-N 1 0 386.949 2.660 20 0 GFADRO C[C@@H](O)C[N@@H+]1CCN(Cc2ccc(Br)c3cccnc23)[C@@H](C)C1 ZINC000189543573 552474227 /nfs/dbraw/zinc/47/42/27/552474227.db2.gz KQSONZSKYCVOOV-UONOGXRCSA-N 1 0 378.314 2.884 20 0 GFADRO C[C@@H](O)C[N@@H+]1CCN(Cc2cc(Br)cc3cccnc32)[C@H](C)C1 ZINC000189564571 552474768 /nfs/dbraw/zinc/47/47/68/552474768.db2.gz HDQKACXMDBJJMK-ZIAGYGMSSA-N 1 0 378.314 2.884 20 0 GFADRO CCN(CCC[NH+](C)C)C(=O)C(=O)Nc1ccc(Cl)c(OC(F)F)c1 ZINC000189824223 552480854 /nfs/dbraw/zinc/48/08/54/552480854.db2.gz KDYZXZPRWUKGLK-UHFFFAOYSA-N 1 0 377.819 2.680 20 0 GFADRO CCO[C@@H]1C[C@@](CO)([NH2+]CC(=O)Nc2ccccc2Br)C1(C)C ZINC000189958816 552483957 /nfs/dbraw/zinc/48/39/57/552483957.db2.gz SVIRUPXHDJPVIZ-PBHICJAKSA-N 1 0 385.302 2.543 20 0 GFADRO CCN(C[C@H](O)C(F)(F)F)C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000189974465 552484569 /nfs/dbraw/zinc/48/45/69/552484569.db2.gz HVKPBGMRRCBABT-OCCSQVGLSA-N 1 0 379.448 2.840 20 0 GFADRO CCO[C@@H]1C[C@](CO)([NH2+]CC(=O)Nc2ccc(Br)cc2C)C1(C)C ZINC000190017221 552485626 /nfs/dbraw/zinc/48/56/26/552485626.db2.gz MWHJEPHFQLDURC-CRAIPNDOSA-N 1 0 399.329 2.852 20 0 GFADRO C[C@@]1(c2ccc(Br)cc2)CC(=O)N(CC[NH+]2CCCCC2)C1=O ZINC000190092094 552487330 /nfs/dbraw/zinc/48/73/30/552487330.db2.gz WNAUOURDFUNLQI-SFHVURJKSA-N 1 0 379.298 2.952 20 0 GFADRO CCCN(CCC[NH+](C)C)C(=O)C(=O)Nc1cc(Br)ccc1F ZINC000190160920 552489172 /nfs/dbraw/zinc/48/91/72/552489172.db2.gz YGKABZDXTRIYQA-UHFFFAOYSA-N 1 0 388.281 2.717 20 0 GFADRO Cc1csc(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)c1I ZINC000190201548 552490183 /nfs/dbraw/zinc/49/01/83/552490183.db2.gz FPBCKXCNNVGTHU-SNVBAGLBSA-N 1 0 390.290 2.875 20 0 GFADRO C[C@@H]1CSCC[N@H+](CC(=O)NCc2cccc(OCC(F)(F)F)c2)C1 ZINC000190427395 552496037 /nfs/dbraw/zinc/49/60/37/552496037.db2.gz PCSSZRHVNBNICN-ZDUSSCGKSA-N 1 0 376.444 2.929 20 0 GFADRO CC[C@@H]([NH2+]CC1CN(S(=O)(=O)CC)C1)c1cc(F)cc(Br)c1 ZINC000190670446 552505430 /nfs/dbraw/zinc/50/54/30/552505430.db2.gz BIUBYEHBKSLXLO-OAHLLOKOSA-N 1 0 393.322 2.910 20 0 GFADRO C[N@H+](CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)C1(CO)CCOCC1 ZINC000191015177 552516758 /nfs/dbraw/zinc/51/67/58/552516758.db2.gz QYSHELKBYGDYRF-UHFFFAOYSA-N 1 0 380.794 2.771 20 0 GFADRO C[NH+]1CCN(Cc2ccc(NC(=O)[C@@H]3CCCOC3)cc2Br)CC1 ZINC000191083216 552517980 /nfs/dbraw/zinc/51/79/80/552517980.db2.gz RESLJQUIBYCQCZ-OAHLLOKOSA-N 1 0 396.329 2.562 20 0 GFADRO CC[C@@H](C)OCC(=O)Nc1ccc(CN2CC[NH+](C)CC2)c(Br)c1 ZINC000191084315 552518320 /nfs/dbraw/zinc/51/83/20/552518320.db2.gz OLNNVVZNRGHFAO-CQSZACIVSA-N 1 0 398.345 2.950 20 0 GFADRO CCN(C)c1ccc(C[NH2+]C[C@@H](O)COc2ccccc2Br)cn1 ZINC000191350657 552525895 /nfs/dbraw/zinc/52/58/95/552525895.db2.gz IKVAQOKXWKYJCU-OAHLLOKOSA-N 1 0 394.313 2.830 20 0 GFADRO Cc1ccc(S(=O)(=O)NCC[NH2+]Cc2ccc(OCC3CC3)cc2)s1 ZINC000191448848 552528761 /nfs/dbraw/zinc/52/87/61/552528761.db2.gz WZRKEXFTSCIQHY-UHFFFAOYSA-N 1 0 380.535 2.913 20 0 GFADRO CO[C@@H](C)[C@H](C)[NH2+][C@@H](C)C(=O)Nc1ccc(I)cc1 ZINC000191721206 552536176 /nfs/dbraw/zinc/53/61/76/552536176.db2.gz ZMXLVGBYXGDBTR-DCAQKATOSA-N 1 0 376.238 2.631 20 0 GFADRO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1cccc(Cl)c1Br ZINC000192033086 552546662 /nfs/dbraw/zinc/54/66/62/552546662.db2.gz YJOMZTOKVUTHJM-SNVBAGLBSA-N 1 0 390.709 2.888 20 0 GFADRO O=C(c1cc(Br)c(F)cc1F)N1CC[NH+](C2CCOCC2)CC1 ZINC000192145964 552553549 /nfs/dbraw/zinc/55/35/49/552553549.db2.gz KQWGXDLEHQFIGI-UHFFFAOYSA-N 1 0 389.240 2.664 20 0 GFADRO CN(C)C(=O)[C@H]1CC[C@H](C[NH2+]Cc2ccc(Br)c(Cl)c2)O1 ZINC000192206339 552555568 /nfs/dbraw/zinc/55/55/68/552555568.db2.gz SUGWGVWVAYMOBJ-BXUZGUMPSA-N 1 0 375.694 2.828 20 0 GFADRO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)c1cc(Br)nn1C ZINC000192380244 552561470 /nfs/dbraw/zinc/56/14/70/552561470.db2.gz PALSQQFBMYHHOA-UHFFFAOYSA-N 1 0 399.255 2.919 20 0 GFADRO COc1ccc(Br)c(C(=O)NCCC[NH2+][C@@H]2CCOC[C@@H]2C)c1 ZINC000192537969 552566339 /nfs/dbraw/zinc/56/63/39/552566339.db2.gz NISWYIVZSTXDII-BLLLJJGKSA-N 1 0 385.302 2.592 20 0 GFADRO C[C@H]1CN(CC[NH2+]C2(c3ccc(Br)cc3)CCOCC2)CCO1 ZINC000192765237 552973428 /nfs/dbraw/zinc/97/34/28/552973428.db2.gz RGAFALITSKCTQV-HNNXBMFYSA-N 1 0 383.330 2.765 20 0 GFADRO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1cc(OC)c(OC)cc1Cl ZINC000192820905 552974457 /nfs/dbraw/zinc/97/44/57/552974457.db2.gz UUMJXTSLFOICRO-CHWSQXEVSA-N 1 0 388.917 2.605 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)C(=O)NCCC[NH+]1CCCCC1 ZINC000192844765 552975754 /nfs/dbraw/zinc/97/57/54/552975754.db2.gz FFCCVTQHPYTGQI-UHFFFAOYSA-N 1 0 382.302 2.688 20 0 GFADRO CCOc1ccc(S(=O)(=O)N(CC)CCC[NH+](C)C)cc1Br ZINC000192941257 552978551 /nfs/dbraw/zinc/97/85/51/552978551.db2.gz AKQFBLPUQQTHHS-UHFFFAOYSA-N 1 0 393.347 2.810 20 0 GFADRO C[C@H]1C[NH+](CCCNC(=O)COc2c(Cl)cccc2Cl)C[C@H](C)O1 ZINC000193122244 552984350 /nfs/dbraw/zinc/98/43/50/552984350.db2.gz VWBOHRFVOASZBB-STQMWFEESA-N 1 0 375.296 2.988 20 0 GFADRO CN(CC[NH2+]Cc1cnc(-c2ccco2)s1)S(=O)(=O)c1cccs1 ZINC000193173263 552985203 /nfs/dbraw/zinc/98/52/03/552985203.db2.gz PZQYMLMOPNEJSL-UHFFFAOYSA-N 1 0 383.520 2.875 20 0 GFADRO O=S(=O)(NC[C@H]1CCC[NH2+]1)c1ccc(Br)c(Cl)c1Cl ZINC000193258000 552988096 /nfs/dbraw/zinc/98/80/96/552988096.db2.gz SIMNKYJMYVMIIH-SSDOTTSWSA-N 1 0 388.114 2.786 20 0 GFADRO O=S(=O)(Cc1cn2ccccc2n1)Cc1cc(Cl)c2c(c1)OCCO2 ZINC000193313711 552990143 /nfs/dbraw/zinc/99/01/43/552990143.db2.gz SJHWAPYUUMFYJL-UHFFFAOYSA-N 1 0 378.837 2.874 20 0 GFADRO C[C@@H]1CC[NH2+]C[C@H]1NS(=O)(=O)c1cc(Cl)c(Br)cc1F ZINC000193411127 552992144 /nfs/dbraw/zinc/99/21/44/552992144.db2.gz RHLBXJFOXSFIFV-RDDDGLTNSA-N 1 0 385.686 2.518 20 0 GFADRO O=C(NCCC[NH+]1CCN(c2ccccc2)CC1)c1ccoc1Br ZINC000193411156 552992385 /nfs/dbraw/zinc/99/23/85/552992385.db2.gz XSALATRISSSALR-UHFFFAOYSA-N 1 0 392.297 2.984 20 0 GFADRO O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)c1ccoc1Br ZINC000193416403 552992851 /nfs/dbraw/zinc/99/28/51/552992851.db2.gz DGOICTUZGIMMJR-UHFFFAOYSA-N 1 0 392.297 2.590 20 0 GFADRO C[C@@H]1CCNC(=O)[C@H]1[NH2+]Cc1ccc(Br)c(Br)c1 ZINC000193674706 552999810 /nfs/dbraw/zinc/99/98/10/552999810.db2.gz IZTZFQWXOGPJTB-PELKAZGASA-N 1 0 376.092 2.826 20 0 GFADRO C[C@H](Sc1ccccc1Cl)C(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000193698869 553000404 /nfs/dbraw/zinc/00/04/04/553000404.db2.gz DHVXMBYVBUEIDI-KBPBESRZSA-N 1 0 383.945 2.667 20 0 GFADRO O=C(NCCNc1ncc(Cl)cc1Cl)NC1CC[NH+](CC2CC2)CC1 ZINC000193711828 553000972 /nfs/dbraw/zinc/00/09/72/553000972.db2.gz YGMRMNMAPGYAQA-UHFFFAOYSA-N 1 0 386.327 2.974 20 0 GFADRO CS(=O)(=O)N1CCC(C[NH2+][C@@H]2CCc3ccc(Br)cc32)CC1 ZINC000193979987 553008707 /nfs/dbraw/zinc/00/87/07/553008707.db2.gz BYWWRLZSKNDEJG-MRXNPFEDSA-N 1 0 387.343 2.698 20 0 GFADRO Cn1ccc(N2CCC[C@H]([NH2+][C@@H]3CCc4ccc(Br)cc43)C2=O)n1 ZINC000193993906 553009092 /nfs/dbraw/zinc/00/90/92/553009092.db2.gz PRSXCWQHZLLTLY-CVEARBPZSA-N 1 0 389.297 2.955 20 0 GFADRO CCC[NH+]1CCN(C(=O)CNC(=O)c2sc3ccccc3c2Cl)CC1 ZINC000194056493 553010501 /nfs/dbraw/zinc/01/05/01/553010501.db2.gz LAJUQIXXBGUXLI-UHFFFAOYSA-N 1 0 379.913 2.839 20 0 GFADRO CS(=O)(=O)N1CC[C@H](C[NH2+]C2CC(c3ccc(Br)cc3)C2)C1 ZINC000194124538 553012312 /nfs/dbraw/zinc/01/23/12/553012312.db2.gz ZSBUUTKBOFGOMI-XEBKBJJBSA-N 1 0 387.343 2.566 20 0 GFADRO CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc(Br)cc2Cl)C1 ZINC000194151109 553013439 /nfs/dbraw/zinc/01/34/39/553013439.db2.gz MPHYAZBNXFWILM-NSHDSACASA-N 1 0 388.693 2.642 20 0 GFADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)C1CCC(O)CC1 ZINC000194193768 553014382 /nfs/dbraw/zinc/01/43/82/553014382.db2.gz ILIJMQBRLMRQIO-UHFFFAOYSA-N 1 0 383.330 2.890 20 0 GFADRO O=C(NC1CC[NH+](CC2CC2)CC1)c1ccccc1I ZINC000194225747 553015285 /nfs/dbraw/zinc/01/52/85/553015285.db2.gz VNMGBNLSPHLAIJ-UHFFFAOYSA-N 1 0 384.261 2.895 20 0 GFADRO C=Cn1cc(C[NH2+]CCC(=O)N(C)Cc2ccccc2Br)cn1 ZINC000194305623 553017167 /nfs/dbraw/zinc/01/71/67/553017167.db2.gz GCDUATFDYQEVDO-UHFFFAOYSA-N 1 0 377.286 2.884 20 0 GFADRO O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1ccsc1Cl ZINC000194633739 553025728 /nfs/dbraw/zinc/02/57/28/553025728.db2.gz FGUNCSVQBIKEPQ-AWEZNQCLSA-N 1 0 377.897 2.978 20 0 GFADRO CC[N@@H+]1CCC[C@H](NC(=O)c2cnn(-c3ccc(Br)cc3)c2)C1 ZINC000194663157 553026568 /nfs/dbraw/zinc/02/65/68/553026568.db2.gz HNPBGTRGQOKKNU-HNNXBMFYSA-N 1 0 377.286 2.849 20 0 GFADRO CC[NH+]1CCN(CCC(=O)N[C@H](C)Cc2ccc(Br)cc2)CC1 ZINC000194670205 553026696 /nfs/dbraw/zinc/02/66/96/553026696.db2.gz USBOQYVWNYCTGU-OAHLLOKOSA-N 1 0 382.346 2.524 20 0 GFADRO O=C(c1cc2c(c(Br)c1)OCO2)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000194678095 553026898 /nfs/dbraw/zinc/02/68/98/553026898.db2.gz WUCYRNMAXBOUFE-ZDUSSCGKSA-N 1 0 381.270 2.878 20 0 GFADRO CCOC(=O)CNC(=O)C1CC[NH+](CCc2cc(Cl)cc(Cl)c2)CC1 ZINC000194728655 553028108 /nfs/dbraw/zinc/02/81/08/553028108.db2.gz LCJLLQAALWWNDE-UHFFFAOYSA-N 1 0 387.307 2.927 20 0 GFADRO Cc1cccc(S(=O)(=O)N(CC[NH3+])Cc2ccccc2)c1Br ZINC000194749469 553028794 /nfs/dbraw/zinc/02/87/94/553028794.db2.gz YBFOHSNXPBJMDI-UHFFFAOYSA-N 1 0 383.311 2.907 20 0 GFADRO C[C@@H]([NH2+]CCOc1ccc(S(N)(=O)=O)cc1)c1ccc(Br)cc1 ZINC000195023944 553036138 /nfs/dbraw/zinc/03/61/38/553036138.db2.gz UEGMZLKPTBPZKC-GFCCVEGCSA-N 1 0 399.310 2.826 20 0 GFADRO COc1cc(CN[C@H](C(N)=O)c2ccccc2)cc(Br)c1OC ZINC000195264454 553043153 /nfs/dbraw/zinc/04/31/53/553043153.db2.gz JGEUBXLHRKENSA-HNNXBMFYSA-N 1 0 379.254 2.783 20 0 GFADRO CN(CC1([NH+](C)C)CCC1)S(=O)(=O)c1ccc(Br)c(F)c1 ZINC000218946555 553054529 /nfs/dbraw/zinc/05/45/29/553054529.db2.gz VYOLOSREOHLCEH-UHFFFAOYSA-N 1 0 379.295 2.693 20 0 GFADRO CN(CCC[NH+](C)C)C(=O)c1ccc(I)c(Cl)c1 ZINC000224498340 553057803 /nfs/dbraw/zinc/05/78/03/553057803.db2.gz NWYGMSKKMGYOCL-UHFFFAOYSA-N 1 0 380.657 2.968 20 0 GFADRO O=C(NCC[C@@H]1CC[NH2+]C1)c1cc(Cl)ccc1I ZINC000226245959 553061438 /nfs/dbraw/zinc/06/14/38/553061438.db2.gz WOLMUNWWKSXYDU-VIFPVBQESA-N 1 0 378.641 2.674 20 0 GFADRO CC[NH+]1CCC(N(C)C(=O)c2ccc(F)cc2I)CC1 ZINC000226727785 553062188 /nfs/dbraw/zinc/06/21/88/553062188.db2.gz ZPYSUDWZFAXHIY-UHFFFAOYSA-N 1 0 390.240 2.987 20 0 GFADRO COc1c(Br)cc(C[NH2+]CCCOCCO)cc1Br ZINC000227331494 553062638 /nfs/dbraw/zinc/06/26/38/553062638.db2.gz LIOONYHSIQXLMF-UHFFFAOYSA-N 1 0 397.107 2.709 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)c2ccc(F)cc2I)CC[N@@H+]1C ZINC000227525810 553062786 /nfs/dbraw/zinc/06/27/86/553062786.db2.gz RALQHIYRXYDYQS-MWLCHTKSSA-N 1 0 376.213 2.643 20 0 GFADRO COC[C@@H](C[NH2+]Cc1cc(Br)c(OC)c(Br)c1)OC ZINC000227704330 553063187 /nfs/dbraw/zinc/06/31/87/553063187.db2.gz WUZYRSNFKAXVCW-SNVBAGLBSA-N 1 0 397.107 2.971 20 0 GFADRO CCC[NH+]1CCC(NS(=O)(=O)c2ccc(Br)c(F)c2)CC1 ZINC000230590810 553065128 /nfs/dbraw/zinc/06/51/28/553065128.db2.gz GMKJCCCQCBEERR-UHFFFAOYSA-N 1 0 379.295 2.741 20 0 GFADRO CC[C@@H]1CN(C(=O)c2ccc(F)cc2I)CC[C@@H]1[NH3+] ZINC000233956999 553066977 /nfs/dbraw/zinc/06/69/77/553066977.db2.gz BSRZGGYIPLXMAH-RNCFNFMXSA-N 1 0 376.213 2.630 20 0 GFADRO CC[C@H]1C[N@H+](C)CCCN1C(=O)c1ccc(I)c(O)c1 ZINC000234056491 553067108 /nfs/dbraw/zinc/06/71/08/553067108.db2.gz ANMKGHYWMLPAKP-LBPRGKRZSA-N 1 0 388.249 2.553 20 0 GFADRO C[C@H](CN1CCOCC1)[NH2+]Cc1cc(Cl)ccc1I ZINC000235483014 553068472 /nfs/dbraw/zinc/06/84/72/553068472.db2.gz CHTNBSGHUUNMKT-LLVKDONJSA-N 1 0 394.684 2.755 20 0 GFADRO C[C@H](NS(=O)(=O)c1ccc(Cl)c(Br)c1)[C@@H]1CCC[NH2+]C1 ZINC000235507204 553068733 /nfs/dbraw/zinc/06/87/33/553068733.db2.gz SYVXFDGLIZFDFE-VHSXEESVSA-N 1 0 381.723 2.769 20 0 GFADRO O=C(CC1CC[NH2+]CC1)NC[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000236570952 553069097 /nfs/dbraw/zinc/06/90/97/553069097.db2.gz RKFJKDPWOJMPRR-HNNXBMFYSA-N 1 0 380.330 2.781 20 0 GFADRO CC(=O)Nc1ccc(S(=O)(=O)NCC[NH2+]C2CCCCCC2)cc1Cl ZINC000236572821 553069147 /nfs/dbraw/zinc/06/91/47/553069147.db2.gz JBUZQPAKTSKRIQ-UHFFFAOYSA-N 1 0 387.933 2.889 20 0 GFADRO CC(C)[C@](C)(C[NH3+])NC(=O)c1cc(F)c(F)cc1I ZINC000236670119 553070240 /nfs/dbraw/zinc/07/02/40/553070240.db2.gz SWFLNESWHABXSH-ZDUSSCGKSA-N 1 0 382.192 2.673 20 0 GFADRO CC(C)C[C@@H](Cc1cccc(Br)c1)C(=O)NCCN1CC[NH2+]CC1 ZINC000236688374 553070273 /nfs/dbraw/zinc/07/02/73/553070273.db2.gz PSUMAECFJOFINN-KRWDZBQOSA-N 1 0 396.373 2.675 20 0 GFADRO O=C(c1nn(-c2cccc(Br)c2)c2c1CCC2)N1CCC[NH2+]CC1 ZINC000236676556 553070409 /nfs/dbraw/zinc/07/04/09/553070409.db2.gz AHNVKTBKLNHANJ-UHFFFAOYSA-N 1 0 389.297 2.559 20 0 GFADRO CC(C)C[C@@H]([NH3+])C(=O)NCC1(c2ccc(Br)cc2)CCOCC1 ZINC000236709648 553071044 /nfs/dbraw/zinc/07/10/44/553071044.db2.gz XXMPVJKPMGUXKD-MRXNPFEDSA-N 1 0 383.330 2.987 20 0 GFADRO CCCCOCCN(C(=O)[C@@H]1C[NH2+]CCO1)c1cccc(Br)c1 ZINC000236828920 553071606 /nfs/dbraw/zinc/07/16/06/553071606.db2.gz CIUFMIZLOAMDCP-INIZCTEOSA-N 1 0 385.302 2.587 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)N1CCC[C@H](C[NH3+])C1 ZINC000236827984 553071733 /nfs/dbraw/zinc/07/17/33/553071733.db2.gz FCLGFVYXBYIQRK-HUUCEWRRSA-N 1 0 384.567 2.548 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)N1CCC[C@H](C[NH3+])C1 ZINC000236825284 553071856 /nfs/dbraw/zinc/07/18/56/553071856.db2.gz FCLGFVYXBYIQRK-LSDHHAIUSA-N 1 0 384.567 2.548 20 0 GFADRO CCCC[C@H]([NH3+])C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(CC)CC)c1 ZINC000236846560 553072479 /nfs/dbraw/zinc/07/24/79/553072479.db2.gz YJVFGOMVEFLVDM-AWEZNQCLSA-N 1 0 375.922 2.827 20 0 GFADRO CC[NH+](CC)[C@H](CNC(=O)[C@H]1CSCN1)c1ccc(C(F)(F)F)cc1 ZINC000236885796 553072678 /nfs/dbraw/zinc/07/26/78/553072678.db2.gz CAVLTGHCKXWIES-HUUCEWRRSA-N 1 0 375.460 2.867 20 0 GFADRO CCC[C@@H]([NH3+])C(=O)N1CCC(C(=O)Nc2ccccc2Br)CC1 ZINC000236913760 553072772 /nfs/dbraw/zinc/07/27/72/553072772.db2.gz GLTGTOQEBOGFPJ-CQSZACIVSA-N 1 0 382.302 2.754 20 0 GFADRO CCN(CCOc1ccc(Br)cc1)C(=O)C[C@H]1CSCC[NH2+]1 ZINC000236885487 553072851 /nfs/dbraw/zinc/07/28/51/553072851.db2.gz KFCSWTYJJQETKL-AWEZNQCLSA-N 1 0 387.343 2.772 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)[C@]1(C)CCCC[NH2+]1 ZINC000237094902 553074371 /nfs/dbraw/zinc/07/43/71/553074371.db2.gz JHKLJKBUFDMTEW-KRWDZBQOSA-N 1 0 382.302 2.687 20 0 GFADRO CN(CC(=O)Nc1ccc(Br)cn1)C(=O)[C@@H]1CCCCCC[C@@H]1[NH3+] ZINC000237096403 553074847 /nfs/dbraw/zinc/07/48/47/553074847.db2.gz HCCRYKWDUNRUGN-KGLIPLIRSA-N 1 0 397.317 2.539 20 0 GFADRO CCc1c(C(=O)NC[C@H]([NH3+])C2CC2)cnn1-c1ccc(Br)cc1 ZINC000237105204 553074855 /nfs/dbraw/zinc/07/48/55/553074855.db2.gz PPAIGMATUAQPPF-HNNXBMFYSA-N 1 0 377.286 2.664 20 0 GFADRO COC(=O)C[C@H](NC(=O)CCC1CC[NH2+]CC1)c1ccc(Br)cc1 ZINC000237216456 553076024 /nfs/dbraw/zinc/07/60/24/553076024.db2.gz LPARDHMBOWUOAY-INIZCTEOSA-N 1 0 397.313 2.949 20 0 GFADRO COCC[NH2+]CCNC(=O)c1cccnc1Oc1cccc(Br)c1 ZINC000237325196 553076576 /nfs/dbraw/zinc/07/65/76/553076576.db2.gz GXZFTHBUNYQWFX-UHFFFAOYSA-N 1 0 394.269 2.602 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CNC(=O)C[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000237404127 553077704 /nfs/dbraw/zinc/07/77/04/553077704.db2.gz VMRGUHKXAFIJSC-UONOGXRCSA-N 1 0 396.329 2.838 20 0 GFADRO C[C@@H]1CCCN(C(=O)c2nn(-c3ccc(F)cc3)cc2Br)[C@H]1C[NH3+] ZINC000237455915 553078147 /nfs/dbraw/zinc/07/81/47/553078147.db2.gz HSWPQYPCKNNDDV-ABAIWWIYSA-N 1 0 395.276 2.973 20 0 GFADRO C[C@@H](NC(=O)C1CC[NH2+]CC1)c1nc(-c2ccc(Br)cc2)no1 ZINC000237500963 553078399 /nfs/dbraw/zinc/07/83/99/553078399.db2.gz MNZSHTCKWPXNEA-SNVBAGLBSA-N 1 0 379.258 2.676 20 0 GFADRO C[C@H]1C[C@@H]([NH3+])CCN1S(=O)(=O)c1c(Cl)cc(F)cc1Br ZINC000237534784 553078938 /nfs/dbraw/zinc/07/89/38/553078938.db2.gz KVNLOIVREXQAQP-CBAPKCEASA-N 1 0 385.686 2.742 20 0 GFADRO CC(=O)N[C@H](CC(=O)N1CCC[C@@H](C)[C@@H]1C[NH3+])c1ccc(Br)cc1 ZINC000237505523 553078958 /nfs/dbraw/zinc/07/89/58/553078958.db2.gz DNUJUWCLCXHQLK-JLZZUVOBSA-N 1 0 396.329 2.602 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000237568844 553079287 /nfs/dbraw/zinc/07/92/87/553079287.db2.gz UMBPWYVETAEUKW-RCBQFDQVSA-N 1 0 394.313 2.733 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000237567457 553079289 /nfs/dbraw/zinc/07/92/89/553079289.db2.gz QHKDDGVXGYQNSF-LQDVMPOASA-N 1 0 394.313 2.733 20 0 GFADRO Cc1c(C(=O)N2C[C@H](C)[NH2+]C[C@@H]2C)cnn1-c1ccc(Br)cc1 ZINC000237585906 553079601 /nfs/dbraw/zinc/07/96/01/553079601.db2.gz LPQRJOLGLVQGNO-RYUDHWBXSA-N 1 0 377.286 2.766 20 0 GFADRO Cc1cc(C[NH2+]CCS(=O)(=O)NCc2ccccc2)ccc1Br ZINC000237626431 553079933 /nfs/dbraw/zinc/07/99/33/553079933.db2.gz GKFCGOSWDFMKHN-UHFFFAOYSA-N 1 0 397.338 2.967 20 0 GFADRO C[C@H](CC(=O)NCc1cn2cc(Br)ccc2n1)C1CC[NH2+]CC1 ZINC000237680272 553080444 /nfs/dbraw/zinc/08/04/44/553080444.db2.gz LDWSKDLFASSKFP-GFCCVEGCSA-N 1 0 379.302 2.739 20 0 GFADRO O=C(C[NH2+]C[C@H]1CCCO1)NCCOc1c(Cl)cc(Cl)cc1Cl ZINC000237697845 553080490 /nfs/dbraw/zinc/08/04/90/553080490.db2.gz JRAJJKVYGSGYOO-LLVKDONJSA-N 1 0 381.687 2.910 20 0 GFADRO [NH3+]CC1(NC(=O)c2nn(-c3ccc(F)cc3)cc2Br)CCCC1 ZINC000237794267 553082091 /nfs/dbraw/zinc/08/20/91/553082091.db2.gz JJCLATZCYLIIEP-UHFFFAOYSA-N 1 0 381.249 2.775 20 0 GFADRO O=C(CCCCc1ccc(I)cc1)N[C@@H]1CCC[NH2+]C1 ZINC000237808368 553082416 /nfs/dbraw/zinc/08/24/16/553082416.db2.gz ACSFXDUAWQJZST-OAHLLOKOSA-N 1 0 386.277 2.872 20 0 GFADRO Cc1c(C(=O)Nc2cc(Br)ccc2C)nnn1C1CC[NH2+]CC1 ZINC000237794340 553082406 /nfs/dbraw/zinc/08/24/06/553082406.db2.gz MDTOUNLVYSGWQN-UHFFFAOYSA-N 1 0 378.274 2.834 20 0 GFADRO [NH3+]C1CCN(C(=O)CCc2ncc(-c3ccccc3Br)o2)CC1 ZINC000237827076 553082909 /nfs/dbraw/zinc/08/29/09/553082909.db2.gz FPCOZNUQJHLNKP-UHFFFAOYSA-N 1 0 378.270 2.986 20 0 GFADRO Cc1c(C(=O)N[C@](C)(C[NH3+])C2CC2)cnn1-c1ccc(Br)cc1 ZINC000237851973 553082943 /nfs/dbraw/zinc/08/29/43/553082943.db2.gz HXCCKWSWNVCLLI-QGZVFWFLSA-N 1 0 377.286 2.800 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H](C(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)C1 ZINC000237880617 553083195 /nfs/dbraw/zinc/08/31/95/553083195.db2.gz QRDIYWAUCIEMIK-CHWSQXEVSA-N 1 0 385.917 2.581 20 0 GFADRO C[C@@H]1CCC[C@H]([NH2+]CC(=O)NCC(=O)Nc2ccccc2Br)[C@H]1C ZINC000245384081 553089498 /nfs/dbraw/zinc/08/94/98/553089498.db2.gz UAFUUTFEIBKLQC-IPYPFGDCSA-N 1 0 396.329 2.918 20 0 GFADRO CC(=O)N1CC[C@@H](C[N@@H+](C)[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C1 ZINC000245537030 553092102 /nfs/dbraw/zinc/09/21/02/553092102.db2.gz GHBVDVHDEMNAGU-GUYCJALGSA-N 1 0 384.307 2.899 20 0 GFADRO CC[C@@H]1CN(C(=O)Nc2cc(Br)ccc2F)CC[N@@H+]1C[C@H](C)O ZINC000245570587 553092860 /nfs/dbraw/zinc/09/28/60/553092860.db2.gz AQKIZMNSSAHIEE-WCQYABFASA-N 1 0 388.281 2.897 20 0 GFADRO Cc1ccc(Br)c(NC(=O)C(=O)NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000245602123 553093530 /nfs/dbraw/zinc/09/35/30/553093530.db2.gz WGUOYAJDAFDDCK-ZIAGYGMSSA-N 1 0 396.329 2.933 20 0 GFADRO O=S1(=O)CC[C@H](N(Cc2ccc(Br)s2)C[C@H]2CCCO2)C1 ZINC000245795237 553096970 /nfs/dbraw/zinc/09/69/70/553096970.db2.gz FOWCJJPBUOSKPO-NWDGAFQWSA-N 1 0 394.356 2.679 20 0 GFADRO COC(=O)C[C@@H]1CSCC[N@@H+]1C[C@@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC000245916005 553099124 /nfs/dbraw/zinc/09/91/24/553099124.db2.gz FPIDIGGWXWPVGW-CABCVRRESA-N 1 0 377.428 2.589 20 0 GFADRO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)c1ccncc1Br ZINC000245978509 553100347 /nfs/dbraw/zinc/10/03/47/553100347.db2.gz GPBJRROAGUSKCD-CXAGYDPISA-N 1 0 389.297 2.880 20 0 GFADRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)NCc2ccc(O)c(Br)c2)C1 ZINC000246033187 553100941 /nfs/dbraw/zinc/10/09/41/553100941.db2.gz WGFOWPTYAPACKZ-DZGCQCFKSA-N 1 0 382.302 2.780 20 0 GFADRO C[C@@H](C(=O)Nc1ccc(I)cc1)N(C)C[C@H]1CCCO1 ZINC000246080423 553102128 /nfs/dbraw/zinc/10/21/28/553102128.db2.gz FGXAPJWRYNHYRV-SMDDNHRTSA-N 1 0 388.249 2.729 20 0 GFADRO Cc1ccc(Br)cc1S(=O)(=O)N(C)[C@H]1CC[N@@H+](C)C[C@H]1C ZINC000246092155 553102359 /nfs/dbraw/zinc/10/23/59/553102359.db2.gz GTUWIOOWNZILTP-OCCSQVGLSA-N 1 0 375.332 2.718 20 0 GFADRO Cc1cc(S(=O)(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)ccc1Br ZINC000246127575 553102882 /nfs/dbraw/zinc/10/28/82/553102882.db2.gz JKHVJSSFXYTLCW-QWHCGFSZSA-N 1 0 375.332 2.861 20 0 GFADRO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1 ZINC000246278093 553105847 /nfs/dbraw/zinc/10/58/47/553105847.db2.gz MHHMBTUAVAMEOR-RCBQFDQVSA-N 1 0 384.307 2.842 20 0 GFADRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)Cc1ccccc1I ZINC000246281173 553105995 /nfs/dbraw/zinc/10/59/95/553105995.db2.gz NPOLVFAFNGOZNW-IUODEOHRSA-N 1 0 386.277 2.632 20 0 GFADRO CCc1cc(N2CCC[C@H]([NH2+][C@H](C)Cn3cc(Br)cn3)C2)ncn1 ZINC000246378901 553106917 /nfs/dbraw/zinc/10/69/17/553106917.db2.gz JXUDGPXLLFIZSM-CJNGLKHVSA-N 1 0 393.333 2.645 20 0 GFADRO CCCN(C(=O)[C@H](C)[NH2+][C@H](C)c1cc(C)sc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000246435198 553107861 /nfs/dbraw/zinc/10/78/61/553107861.db2.gz NCOPPNRAMVEKMX-IJEWVQPXSA-N 1 0 386.583 2.830 20 0 GFADRO O=C(N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO)c1ccc(Br)o1 ZINC000246473649 553108424 /nfs/dbraw/zinc/10/84/24/553108424.db2.gz CXUYVJYUXOSPAY-GJZGRUSLSA-N 1 0 393.281 2.655 20 0 GFADRO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CCS(=O)(=O)c1ccc(Cl)cc1 ZINC000246540393 553109408 /nfs/dbraw/zinc/10/94/08/553109408.db2.gz JVWIVKLDKIDAMG-HOTGVXAUSA-N 1 0 384.929 2.589 20 0 GFADRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2cncc(Br)c2)[C@@H](C)C1 ZINC000246778928 553112551 /nfs/dbraw/zinc/11/25/51/553112551.db2.gz LSHVTEWDXHWOTK-XJKSGUPXSA-N 1 0 384.318 2.711 20 0 GFADRO COCCOC[C@@H]1CC[N@H+](C[C@@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000246817858 553113300 /nfs/dbraw/zinc/11/33/00/553113300.db2.gz ADYPMZBIDKXSJZ-UKRRQHHQSA-N 1 0 378.296 2.718 20 0 GFADRO CC[S@](=O)[C@@H]1CCC[C@@H]([NH2+][C@@H](C)c2ccc(S(C)(=O)=O)c(OC)c2)C1 ZINC000246868353 553114142 /nfs/dbraw/zinc/11/41/42/553114142.db2.gz CUNPGZUGKJIKSJ-WPIXBXHBSA-N 1 0 387.567 2.829 20 0 GFADRO CC[S@](=O)[C@@H]1CCC[C@@H]([NH2+][C@@H](C)c2ccc(S(C)(=O)=O)c(F)c2)C1 ZINC000246967186 553116585 /nfs/dbraw/zinc/11/65/85/553116585.db2.gz IEWSNMARFOIDHW-QUYMENHVSA-N 1 0 375.531 2.960 20 0 GFADRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C[C@H]1Sc2ccc(Cl)cc2NC1=O ZINC000247357245 553121371 /nfs/dbraw/zinc/12/13/71/553121371.db2.gz JZEVZPKMNATBEL-DJSGYFEHSA-N 1 0 381.929 2.942 20 0 GFADRO C[C@@H]1CN(C(=O)[C@H]2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)C[C@@H](C)[NH2+]1 ZINC000247449129 553122099 /nfs/dbraw/zinc/12/20/99/553122099.db2.gz YUWDLRXLHNKMJB-XHBSWPGZSA-N 1 0 384.307 2.807 20 0 GFADRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2S(=O)(=O)c2cc(C(F)(F)F)ccc2F)C1 ZINC000247658193 553124677 /nfs/dbraw/zinc/12/46/77/553124677.db2.gz XMAQQINZGPDLHT-SMDDNHRTSA-N 1 0 380.407 2.949 20 0 GFADRO O[C@H](C[N@@H+]1CCC[C@@H](Cn2ccnn2)C1)c1ccc(F)c(Br)c1 ZINC000248571073 553131107 /nfs/dbraw/zinc/13/11/07/553131107.db2.gz QZVIKMFZYNGUSU-MLGOLLRUSA-N 1 0 383.265 2.625 20 0 GFADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2ncccc2Br)[C@@H](C)C1 ZINC000249118772 553139685 /nfs/dbraw/zinc/13/96/85/553139685.db2.gz SXARORLWNWYJPZ-ZFWWWQNUSA-N 1 0 384.318 2.711 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(C)c(Br)c2)[C@@H](C)C1 ZINC000249195804 553141050 /nfs/dbraw/zinc/14/10/50/553141050.db2.gz QCXLWNOVPDVTBX-BBRMVZONSA-N 1 0 396.329 2.885 20 0 GFADRO O[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@@H+]2Cc1nnc(-c2ccccc2Br)o1 ZINC000249355323 553142429 /nfs/dbraw/zinc/14/24/29/553142429.db2.gz AAQITZUZPGMDNR-JXNBKPOHSA-N 1 0 376.254 2.700 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)C(=O)NC[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000249610327 553145064 /nfs/dbraw/zinc/14/50/64/553145064.db2.gz GMSUZUPSZMOKHT-TZMCWYRMSA-N 1 0 396.329 2.933 20 0 GFADRO O[C@@H]1[C@H]2C[C@H]3C[N@H+](Cc4nc(-c5cccc(Br)c5)no4)[C@H]1[C@H]3C2 ZINC000249632062 553145114 /nfs/dbraw/zinc/14/51/14/553145114.db2.gz VNKXATAJEFPOGD-GSJWJAIFSA-N 1 0 376.254 2.700 20 0 GFADRO CCC[N@H+](C[C@@H](O)CN1CCOCC1)[C@H](C)c1ccccc1Br ZINC000249717149 553145721 /nfs/dbraw/zinc/14/57/21/553145721.db2.gz JLHRVNYKDFARNM-CVEARBPZSA-N 1 0 385.346 2.915 20 0 GFADRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)[C@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl ZINC000249948190 553146947 /nfs/dbraw/zinc/14/69/47/553146947.db2.gz IKEBGQJWSRWLRA-XFBWCDHKSA-N 1 0 384.307 2.712 20 0 GFADRO CC[NH+]1CCN([C@H](C)CNC(=O)[C@@H]2C[C@H]2c2ccc(Br)cc2)CC1 ZINC000250289017 553147297 /nfs/dbraw/zinc/14/72/97/553147297.db2.gz OJMNZKHRCDRSHR-FHLIZLRMSA-N 1 0 394.357 2.695 20 0 GFADRO O=S(=O)(c1sccc1Br)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000250188381 553147569 /nfs/dbraw/zinc/14/75/69/553147569.db2.gz UOIYOSYWKKEXRU-ZYHUDNBSSA-N 1 0 379.345 2.663 20 0 GFADRO O=S(=O)(c1ccc(Br)s1)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000252413489 553149196 /nfs/dbraw/zinc/14/91/96/553149196.db2.gz CYWIJCRWBJUUGE-WDEREUQCSA-N 1 0 379.345 2.663 20 0 GFADRO O=C(c1ccc(I)c(Cl)c1)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261575758 553153293 /nfs/dbraw/zinc/15/32/93/553153293.db2.gz BTGACFYRKYCOPP-GHMZBOCLSA-N 1 0 390.652 2.626 20 0 GFADRO [NH3+][C@@H]1CCC[C@H]2CN(S(=O)(=O)c3ccc(Cl)c(Br)c3)C[C@H]21 ZINC000261596600 553153964 /nfs/dbraw/zinc/15/39/64/553153964.db2.gz LBTPLVJBVBCSJM-DRCTWCGVSA-N 1 0 393.734 2.850 20 0 GFADRO C[NH2+][C@H](C)Cc1noc([C@@H]2CCN(c3cccc(Br)c3)C2=O)n1 ZINC000261625741 553154523 /nfs/dbraw/zinc/15/45/23/553154523.db2.gz CBONUSXTNZUIHS-MFKMUULPSA-N 1 0 379.258 2.503 20 0 GFADRO [NH3+][C@@H]1CN(S(=O)(=O)c2cccc(Br)c2F)C[C@H]1c1ccccc1 ZINC000261641880 553155347 /nfs/dbraw/zinc/15/53/47/553155347.db2.gz DUBJUDNFLHXKPO-GXTWGEPZSA-N 1 0 399.285 2.704 20 0 GFADRO COCC1(CNC(=O)[C@H](C)Oc2ccc(Cl)c(Cl)c2)CC[NH2+]CC1 ZINC000261700650 553156740 /nfs/dbraw/zinc/15/67/40/553156740.db2.gz JMFYQDKVPNALRB-LBPRGKRZSA-N 1 0 375.296 2.893 20 0 GFADRO COCC1(CNC(=O)c2ccc(Br)cc2OC(C)C)CC[NH2+]CC1 ZINC000261736349 553157148 /nfs/dbraw/zinc/15/71/48/553157148.db2.gz NKOZQNOFPSWYRF-UHFFFAOYSA-N 1 0 399.329 2.982 20 0 GFADRO Cc1ccc([C@H](O)CNC(=O)[C@@](C)([NH3+])c2ccc(Br)cc2)cc1 ZINC000261726891 553157275 /nfs/dbraw/zinc/15/72/75/553157275.db2.gz KPZLLCBILMESKG-AEFFLSMTSA-N 1 0 377.282 2.781 20 0 GFADRO [NH3+]C[C@H]1CC[C@@H](C(=O)N2CCO[C@H](c3cc(F)c(Cl)cc3Cl)C2)O1 ZINC000261752658 553157789 /nfs/dbraw/zinc/15/77/89/553157789.db2.gz DWLFXNYBSYSHKQ-NKZPBKNFSA-N 1 0 377.243 2.539 20 0 GFADRO CCO[C@@H]1C[C@@]([NH3+])(C(=O)N(C)CCOc2ccc(Br)cc2)C1(C)C ZINC000261772548 553158803 /nfs/dbraw/zinc/15/88/03/553158803.db2.gz XCQFNZYWLIBWNZ-CRAIPNDOSA-N 1 0 399.329 2.819 20 0 GFADRO COC(=O)C[C@H](NC(=O)[C@@H]1CCC[C@@H]1C[NH3+])c1cccc(Br)c1 ZINC000261795368 553159023 /nfs/dbraw/zinc/15/90/23/553159023.db2.gz QOFFHPSUDXNISB-YUELXQCFSA-N 1 0 383.286 2.545 20 0 GFADRO O=S(=O)(c1cccc(OC(F)(F)F)c1)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000261788573 553159168 /nfs/dbraw/zinc/15/91/68/553159168.db2.gz YRWUVTALAYFJMO-OAHLLOKOSA-N 1 0 378.416 2.738 20 0 GFADRO O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1cc2cc(Cl)ccc2o1 ZINC000261796822 553159692 /nfs/dbraw/zinc/15/96/92/553159692.db2.gz GUONQTZDVDLCCH-AWEZNQCLSA-N 1 0 375.778 2.652 20 0 GFADRO CN(Cc1nccn1C(F)F)C(=O)[C@](C)([NH3+])c1ccc(Br)cc1 ZINC000261856862 553161345 /nfs/dbraw/zinc/16/13/45/553161345.db2.gz WICAJOQIKKZHLO-OAHLLOKOSA-N 1 0 387.228 2.873 20 0 GFADRO CCOC(=O)C1CCC(NC(=O)[C@](C)([NH3+])c2ccc(Br)cc2)CC1 ZINC000261872987 553161784 /nfs/dbraw/zinc/16/17/84/553161784.db2.gz YAUXYKUVXTUTBR-GUUHALQZSA-N 1 0 397.313 2.861 20 0 GFADRO Cc1cc(F)c(Br)cc1S(=O)(=O)N1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000261885893 553161859 /nfs/dbraw/zinc/16/18/59/553161859.db2.gz UVSDCZPWGSXUKV-ZWNOBZJWSA-N 1 0 379.295 2.787 20 0 GFADRO O=C(c1ccc(I)c(F)c1)N1CCC2(CC[NH2+]C2)CC1 ZINC000261915545 553162770 /nfs/dbraw/zinc/16/27/70/553162770.db2.gz YCLMGIWVCNLGTL-UHFFFAOYSA-N 1 0 388.224 2.646 20 0 GFADRO O=C(N[C@@H]1CCc2c1cccc2Br)C1(n2cccn2)CC[NH2+]CC1 ZINC000261917101 553163023 /nfs/dbraw/zinc/16/30/23/553163023.db2.gz JRGOBVPPPWPKIH-MRXNPFEDSA-N 1 0 389.297 2.528 20 0 GFADRO Cc1cc(COc2ccc(C(=O)NC[C@H]([NH3+])C3CC3)cc2Br)on1 ZINC000261925169 553163092 /nfs/dbraw/zinc/16/30/92/553163092.db2.gz JVKIOSFLGIJQDO-HNNXBMFYSA-N 1 0 394.269 2.792 20 0 GFADRO O=C(CCc1ccc(Cl)c(Cl)c1)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000262196988 553167386 /nfs/dbraw/zinc/16/73/86/553167386.db2.gz ZYUAFYBHVRJJBM-CQSZACIVSA-N 1 0 398.256 2.878 20 0 GFADRO CN(CC1(c2ccc(Br)cc2)CC1)C(=O)C1(C[NH3+])CCOCC1 ZINC000262261333 553168142 /nfs/dbraw/zinc/16/81/42/553168142.db2.gz MFSDLEPEFRNRQZ-UHFFFAOYSA-N 1 0 381.314 2.695 20 0 GFADRO CC1(CNS(=O)(=O)c2cccc(Br)c2Cl)CC[NH2+]CC1 ZINC000262326040 553169266 /nfs/dbraw/zinc/16/92/66/553169266.db2.gz QZTWXMRURWFPDY-UHFFFAOYSA-N 1 0 381.723 2.771 20 0 GFADRO O=C(COc1ccc(Br)cc1F)NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000262393650 553170342 /nfs/dbraw/zinc/17/03/42/553170342.db2.gz OLJCPBSFIHMVRD-INIZCTEOSA-N 1 0 393.256 2.970 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CNC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000262522111 553171788 /nfs/dbraw/zinc/17/17/88/553171788.db2.gz IWJGBANAHFTXCM-XPKDYRNWSA-N 1 0 394.313 2.733 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C1 ZINC000262576681 553172581 /nfs/dbraw/zinc/17/25/81/553172581.db2.gz JXZXVKURSFXLLO-OUCADQQQSA-N 1 0 384.307 2.932 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)CCNC(=O)Nc2ccc(Br)cc2)C1 ZINC000262604351 553172992 /nfs/dbraw/zinc/17/29/92/553172992.db2.gz BDVJCAYMSNRLKZ-OLZOCXBDSA-N 1 0 397.317 2.547 20 0 GFADRO CCOc1ccc(S(=O)(=O)N2CCC[C@@H]([C@H](C)[NH3+])C2)cc1Br ZINC000262727947 553174645 /nfs/dbraw/zinc/17/46/45/553174645.db2.gz BUHGDQSLQJFKQG-NWDGAFQWSA-N 1 0 391.331 2.596 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)c1cc(F)ccc1I ZINC000262768053 553175123 /nfs/dbraw/zinc/17/51/23/553175123.db2.gz TVVJIFRQPUKPDS-TVQRCGJNSA-N 1 0 376.213 2.772 20 0 GFADRO O=S(=O)(NCC[C@@H]1CCC[NH2+]C1)c1ccc(Cl)cc1Br ZINC000262772646 553175556 /nfs/dbraw/zinc/17/55/56/553175556.db2.gz MTVDPMKPUAENES-JTQLQIEISA-N 1 0 381.723 2.771 20 0 GFADRO C[NH2+]C[C@@H]1CCCN(S(=O)(=O)c2cccc(Cl)c2Br)C1 ZINC000262792682 553175596 /nfs/dbraw/zinc/17/55/96/553175596.db2.gz SBQVNGTUVZCDNH-JTQLQIEISA-N 1 0 381.723 2.723 20 0 GFADRO [NH3+]C[C@H](NS(=O)(=O)c1ccc(Cl)cc1Br)C1CCCC1 ZINC000262786262 553175820 /nfs/dbraw/zinc/17/58/20/553175820.db2.gz QJZWEXWPHPSADH-LBPRGKRZSA-N 1 0 381.723 2.898 20 0 GFADRO C[C@H]1C[NH2+]CC[C@@H]1NS(=O)(=O)c1ccc2cc(Br)ccc2c1 ZINC000262786212 553175832 /nfs/dbraw/zinc/17/58/32/553175832.db2.gz QIVJEIWJIFTTFF-ZBEGNZNMSA-N 1 0 383.311 2.879 20 0 GFADRO C[C@@H]1[NH2+]CCN(C(=O)c2ccc(I)c(Cl)c2)[C@H]1C ZINC000262796246 553176461 /nfs/dbraw/zinc/17/64/61/553176461.db2.gz OEIVQTINGFXRLI-IUCAKERBSA-N 1 0 378.641 2.767 20 0 GFADRO CCOc1cc(Br)c(CC(=O)N[C@H]2CC[NH2+]C[C@H]2C)cc1OCC ZINC000262910621 553178175 /nfs/dbraw/zinc/17/81/75/553178175.db2.gz YMYJGBCWDJROEH-DOMZBBRYSA-N 1 0 399.329 2.903 20 0 GFADRO C[C@]1([NH3+])CCCC[C@H]1C(=O)NCc1cc(Br)c2c(c1)OCCO2 ZINC000263058746 553181508 /nfs/dbraw/zinc/18/15/08/553181508.db2.gz VDPQVOZULVDAKS-SJCJKPOMSA-N 1 0 383.286 2.744 20 0 GFADRO C[C@]1([NH3+])CCCC[C@@H]1C(=O)NCCC(=O)Nc1ccc(Br)cc1 ZINC000263256281 553184950 /nfs/dbraw/zinc/18/49/50/553184950.db2.gz QNENMWCUMLRJBH-PBHICJAKSA-N 1 0 382.302 2.802 20 0 GFADRO O=C(Nc1cccc(Br)c1)C1CC[NH+](CCN2CCCC2=O)CC1 ZINC000263653700 553190400 /nfs/dbraw/zinc/19/04/00/553190400.db2.gz CDEKMZPZDJQTEV-UHFFFAOYSA-N 1 0 394.313 2.722 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)N[C@@H](C)CC[NH+](C)C ZINC000263738968 553192553 /nfs/dbraw/zinc/19/25/53/553192553.db2.gz ODGSTPVVFCOSEV-ZDUSSCGKSA-N 1 0 399.333 2.726 20 0 GFADRO C[C@H](CNC(=O)c1csc(-c2cccc(Cl)c2)n1)N1CC[NH+](C)CC1 ZINC000263813208 553194043 /nfs/dbraw/zinc/19/40/43/553194043.db2.gz XGUQANGZZGDULM-CYBMUJFWSA-N 1 0 378.929 2.829 20 0 GFADRO CCCOC[C@H](Cc1cccc(Br)c1)NC(=O)NC(C)(C)C[NH3+] ZINC000418038611 563896464 /nfs/dbraw/zinc/89/64/64/563896464.db2.gz YUYKQEQLOVLQFY-HNNXBMFYSA-N 1 0 386.334 2.823 20 0 GFADRO C[C@@H](CCC[NH3+])NC(=O)NCc1ccc(I)c(Cl)c1 ZINC000418169805 563900328 /nfs/dbraw/zinc/90/03/28/563900328.db2.gz YIYKRTJWAGPQFF-VIFPVBQESA-N 1 0 395.672 2.871 20 0 GFADRO Fc1cccc(C[NH2+]C[C@H](N2CCOCC2)C(F)(F)F)c1Br ZINC000449317171 564180740 /nfs/dbraw/zinc/18/07/40/564180740.db2.gz BNKKOLUWISGNOP-LBPRGKRZSA-N 1 0 385.199 2.941 20 0 GFADRO O=C(N[C@H]1CC[N@@H+](C2CC2)C1)c1cc(F)c(F)cc1I ZINC000471803273 564204603 /nfs/dbraw/zinc/20/46/03/564204603.db2.gz GHSBVTRKLARBML-QMMMGPOBSA-N 1 0 392.187 2.536 20 0 GFADRO C[NH+](C)C[C@H]1CN(C(=O)c2c(Cl)cc(F)cc2Br)CCO1 ZINC000449915429 564208848 /nfs/dbraw/zinc/20/88/48/564208848.db2.gz OKAAWCKUNVSKAC-JTQLQIEISA-N 1 0 379.657 2.644 20 0 GFADRO CC[NH+](CC)[C@@H]1CCN(S(=O)(=O)c2cccc(Br)c2C)C1 ZINC000474127294 564265539 /nfs/dbraw/zinc/26/55/39/564265539.db2.gz VHYPNLVMCBSOTR-CYBMUJFWSA-N 1 0 375.332 2.862 20 0 GFADRO CSC[C@@H](CCO)[NH2+]Cc1c(F)ccc(I)c1F ZINC000474794806 564288973 /nfs/dbraw/zinc/28/89/73/564288973.db2.gz LPZRQZNEIHIJGP-MRVPVSSYSA-N 1 0 387.233 2.773 20 0 GFADRO COC[C@H](C)[NH2+]C[C@H]1CCCN1Cc1ccc(I)cc1 ZINC000475631722 564314128 /nfs/dbraw/zinc/31/41/28/564314128.db2.gz CGQMULDNCPQZKX-XJKSGUPXSA-N 1 0 388.293 2.880 20 0 GFADRO C[C@@H]([NH2+][C@H]1COCC1(C)C)C(=O)Nc1cccc(I)c1 ZINC000451822900 564355951 /nfs/dbraw/zinc/35/59/51/564355951.db2.gz JAUDURZBOSDHRZ-MFKMUULPSA-N 1 0 388.249 2.633 20 0 GFADRO CCN1CCN(S(=O)(=O)c2cc(Br)c(F)cc2C)[C@@H](C)C1 ZINC000511333619 564368259 /nfs/dbraw/zinc/36/82/59/564368259.db2.gz LZODXDVZMSBNQN-NSHDSACASA-N 1 0 379.295 2.611 20 0 GFADRO CC[C@H](CNS(C)(=O)=O)[NH2+][C@H]1CCCOc2cc(Br)ccc21 ZINC000453274137 564452240 /nfs/dbraw/zinc/45/22/40/564452240.db2.gz CLZZXOFHAWLIFK-OCCSQVGLSA-N 1 0 391.331 2.580 20 0 GFADRO Cc1cc(Br)c(CN2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)s1 ZINC000453577720 564457967 /nfs/dbraw/zinc/45/79/67/564457967.db2.gz NQWNEQQXLQQLCK-CQSZACIVSA-N 1 0 386.359 2.557 20 0 GFADRO CN(C)[C@H](C[NH2+][C@@H]1CCS(=O)(=O)c2ccc(Br)cc21)C1CC1 ZINC000480234522 564465812 /nfs/dbraw/zinc/46/58/12/564465812.db2.gz SAAAHGZWHVDMKT-HUUCEWRRSA-N 1 0 387.343 2.597 20 0 GFADRO C/C=C/C[C@H](CO)[NH2+]C[C@H](O)COc1ccc(Cl)cc1Br ZINC000570683585 564517263 /nfs/dbraw/zinc/51/72/63/564517263.db2.gz WQWCQPVXWPFDMY-XDYXTIEYSA-N 1 0 378.694 2.759 20 0 GFADRO C[C@H]1CC2(CN1S(=O)(=O)c1ccc(F)cc1Br)CC[NH2+]CC2 ZINC000424386964 563377064 /nfs/dbraw/zinc/37/70/64/563377064.db2.gz FPCFGQPNOGNAOA-NSHDSACASA-N 1 0 391.306 2.741 20 0 GFADRO C[NH+](C)C1CCN(S(=O)(=O)c2c(Cl)cccc2Br)CC1 ZINC000312385776 563437033 /nfs/dbraw/zinc/43/70/33/563437033.db2.gz SBQXZSLPACYXPY-UHFFFAOYSA-N 1 0 381.723 2.817 20 0 GFADRO C[N@@H+]1CC[C@H]2CCN(C(=O)Nc3ccc(I)cc3)C[C@@H]21 ZINC000378449636 563507613 /nfs/dbraw/zinc/50/76/13/563507613.db2.gz GHBUXLOEDXSDNU-FZMZJTMJSA-N 1 0 385.249 2.849 20 0 GFADRO CN(C)S(=O)(=O)CC[NH2+][C@H]1c2cc(Br)ccc2CC1(C)C ZINC000429313040 563514112 /nfs/dbraw/zinc/51/41/12/563514112.db2.gz XCVJNMBMPGMURC-AWEZNQCLSA-N 1 0 375.332 2.554 20 0 GFADRO [NH3+]C[C@H]1CC[C@@H](NC(=O)c2cc(Cl)ccc2I)C1 ZINC000382444179 563516515 /nfs/dbraw/zinc/51/65/15/563516515.db2.gz RHJGTAPQPFLSLF-WCBMZHEXSA-N 1 0 378.641 2.802 20 0 GFADRO O=S(=O)(C1CC1)N1CCC[C@@H]([NH2+]Cc2csc(Br)c2)C1 ZINC000285394252 563518869 /nfs/dbraw/zinc/51/88/69/563518869.db2.gz DMJUEBUYIWXNOA-LLVKDONJSA-N 1 0 379.345 2.557 20 0 GFADRO O=C(N[C@@H]1CCc2c1ccc(F)c2Br)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000418243194 563214317 /nfs/dbraw/zinc/21/43/17/563214317.db2.gz BPXVZMODSZTNGO-NZVBXONLSA-N 1 0 382.277 2.969 20 0 GFADRO COCc1nc2n(n1)C[C@H]([NH2+][C@H]1CCc3sc(Br)cc31)CC2 ZINC000294744428 563215369 /nfs/dbraw/zinc/21/53/69/563215369.db2.gz LNIZSYCPVKDALZ-KOLCDFICSA-N 1 0 383.315 2.840 20 0 GFADRO COCc1nc2n(n1)C[C@@H]([NH2+][C@H]1CCc3sc(Br)cc31)CC2 ZINC000294744436 563215398 /nfs/dbraw/zinc/21/53/98/563215398.db2.gz LNIZSYCPVKDALZ-ONGXEEELSA-N 1 0 383.315 2.840 20 0 GFADRO O=C(NCCCN1CC[NH2+]CC1)N1CC[C@H](Sc2cccc(Cl)c2)C1 ZINC000418290678 563215618 /nfs/dbraw/zinc/21/56/18/563215618.db2.gz SQIHNMGCNWEKDX-KRWDZBQOSA-N 1 0 382.961 2.511 20 0 GFADRO Cn1ncc(Br)c1C(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000294750456 563215616 /nfs/dbraw/zinc/21/56/16/563215616.db2.gz DCXMKWSCHDNQEY-UHFFFAOYSA-N 1 0 395.326 2.984 20 0 GFADRO CC[C@H](c1ccc(Br)cc1)N1CCN(C(=O)NCCC[NH2+]C)CC1 ZINC000418279698 563215658 /nfs/dbraw/zinc/21/56/58/563215658.db2.gz PQEAQFKFFTXNOG-QGZVFWFLSA-N 1 0 397.361 2.837 20 0 GFADRO C[N@@H+]1CC[C@@H](CNS(=O)(=O)c2ccc3c(c2)CCO3)[C@H]1c1cccs1 ZINC000369540260 563216195 /nfs/dbraw/zinc/21/61/95/563216195.db2.gz MUBFYOBLQOBKDW-KSSFIOAISA-N 1 0 378.519 2.654 20 0 GFADRO O=C(c1cc(F)cc(Br)c1)N1CCC[N@@H+](C2CCOCC2)CC1 ZINC000369547527 563217088 /nfs/dbraw/zinc/21/70/88/563217088.db2.gz GAEPZHNKJHYPHD-UHFFFAOYSA-N 1 0 385.277 2.915 20 0 GFADRO CCC[NH2+]CCNC(=O)N(CCOC)Cc1sccc1Br ZINC000418466937 563217931 /nfs/dbraw/zinc/21/79/31/563217931.db2.gz DXELXIFLXISTHO-UHFFFAOYSA-N 1 0 378.336 2.668 20 0 GFADRO CCCC[C@@H](C[NH3+])NC(=O)NC[C@@H](O)COc1cccc(Cl)c1Cl ZINC000418477202 563217770 /nfs/dbraw/zinc/21/77/70/563217770.db2.gz XLLHFMXBHUWFLS-NWDGAFQWSA-N 1 0 378.300 2.550 20 0 GFADRO C[N@@H+]1CC[C@@H](CNC(=O)c2ccc(S(C)(=O)=O)cc2)[C@@H]1c1cccs1 ZINC000369570622 563217989 /nfs/dbraw/zinc/21/79/89/563217989.db2.gz SCHKQUYKASRLQZ-WMLDXEAASA-N 1 0 378.519 2.574 20 0 GFADRO CCCC[C@@H](C[NH3+])NC(=O)NC[C@H](O)COc1cccc(Cl)c1Cl ZINC000418477203 563218097 /nfs/dbraw/zinc/21/80/97/563218097.db2.gz XLLHFMXBHUWFLS-RYUDHWBXSA-N 1 0 378.300 2.550 20 0 GFADRO C[C@H]1C[N@H+](CCCNC(=O)C(=O)Nc2cc(Cl)ccc2Cl)CCCO1 ZINC000277637421 563218288 /nfs/dbraw/zinc/21/82/88/563218288.db2.gz CKAFGQDCUJRTOP-LBPRGKRZSA-N 1 0 388.295 2.549 20 0 GFADRO [NH3+][C@H](CNC(=O)N1CCC[C@H]1c1ccc(I)cc1)C1CC1 ZINC000418499375 563218544 /nfs/dbraw/zinc/21/85/44/563218544.db2.gz NXGXWBNCABNFMA-CABCVRRESA-N 1 0 399.276 2.875 20 0 GFADRO [NH3+][C@H](CNC(=O)N1CCC[C@H]1C(=O)Nc1cc(Cl)cc(Cl)c1)C1CC1 ZINC000418502363 563218929 /nfs/dbraw/zinc/21/89/29/563218929.db2.gz UQYLGASHUCKSOZ-CABCVRRESA-N 1 0 385.295 2.843 20 0 GFADRO COc1ccc(Br)cc1CN(C)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000418521007 563219297 /nfs/dbraw/zinc/21/92/97/563219297.db2.gz QMYWJJRVNQGSDO-UHFFFAOYSA-N 1 0 384.318 2.989 20 0 GFADRO Cc1nn(C)c(CN2CCC[C@@H]2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1Br ZINC000369627600 563219705 /nfs/dbraw/zinc/21/97/05/563219705.db2.gz GFURRUTVRADLBA-VNHYZAJKSA-N 1 0 385.350 2.565 20 0 GFADRO Cc1c(Br)cc(C(=O)NCCCCC[NH+]2CCCCC2)c(=O)n1C ZINC000277665393 563220107 /nfs/dbraw/zinc/22/01/07/563220107.db2.gz ZNTNQOLXSNOLPG-UHFFFAOYSA-N 1 0 398.345 2.842 20 0 GFADRO CC(C)N(Cc1cccs1)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000418613727 563221376 /nfs/dbraw/zinc/22/13/76/563221376.db2.gz JXPPGVQFNOZABB-CQSZACIVSA-N 1 0 378.464 2.504 20 0 GFADRO COCC1(CNC(=O)N(C)Cc2ccccc2Br)CC[NH2+]CC1 ZINC000418641939 563221486 /nfs/dbraw/zinc/22/14/86/563221486.db2.gz QVBCUUKRZOLHIY-UHFFFAOYSA-N 1 0 384.318 2.607 20 0 GFADRO C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@@]34CCc3cc(Br)ccc34)C[C@H]2C1 ZINC000369705598 563221848 /nfs/dbraw/zinc/22/18/48/563221848.db2.gz ZNBKOIKIWRBXNU-BDEJMISXSA-N 1 0 375.310 2.673 20 0 GFADRO O[C@H](CN1CCC(O)(c2scnc2Br)CC1)CC(F)(F)F ZINC000369705408 563222013 /nfs/dbraw/zinc/22/20/13/563222013.db2.gz XPUABAMSGREHLK-QMMMGPOBSA-N 1 0 389.237 2.502 20 0 GFADRO CC[C@H](c1ccc(Br)cc1)N1CCN(C(=O)N[C@@H](C)[C@H](C)[NH3+])CC1 ZINC000418703840 563222812 /nfs/dbraw/zinc/22/28/12/563222812.db2.gz QXWUUIFNJGKZLN-GRDNDAEWSA-N 1 0 397.361 2.963 20 0 GFADRO CC[C@H](c1ccc(Br)cc1)N1CCN(C(=O)N[C@H](C)[C@H](C)[NH3+])CC1 ZINC000418703842 563222861 /nfs/dbraw/zinc/22/28/61/563222861.db2.gz QXWUUIFNJGKZLN-JJRVBVJISA-N 1 0 397.361 2.963 20 0 GFADRO [NH3+][C@@H]1CCC[C@H](CNC(=O)N(CCO)Cc2ccc(Br)s2)C1 ZINC000418728047 563223729 /nfs/dbraw/zinc/22/37/29/563223729.db2.gz QVGKPJPZKNSVST-NWDGAFQWSA-N 1 0 390.347 2.532 20 0 GFADRO [NH3+][C@@H]1CCC[C@H](CNC(=O)N[C@H](CCO)c2ccccc2Br)C1 ZINC000418735798 563223760 /nfs/dbraw/zinc/22/37/60/563223760.db2.gz WRGKKGVMINUVHA-WOSRLPQWSA-N 1 0 384.318 2.689 20 0 GFADRO COc1cc(C[NH2+][C@H](C)CCCCO)cc(I)c1OC ZINC000294994530 563224594 /nfs/dbraw/zinc/22/45/94/563224594.db2.gz HXEIVELAGSCMAG-LLVKDONJSA-N 1 0 393.265 2.949 20 0 GFADRO CN1CC[NH2+]C[C@@H]1CNC(=O)N1CCC(c2c(Cl)cccc2Cl)CC1 ZINC000418762298 563224988 /nfs/dbraw/zinc/22/49/88/563224988.db2.gz LTGRINUMFKHJPD-CQSZACIVSA-N 1 0 385.339 2.786 20 0 GFADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1CN1CC[C@@H](SC)C1 ZINC000295003546 563225402 /nfs/dbraw/zinc/22/54/02/563225402.db2.gz ISEDKVYOENQIMZ-BXUZGUMPSA-N 1 0 387.343 2.900 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000418819971 563226666 /nfs/dbraw/zinc/22/66/66/563226666.db2.gz RGAYAMVINGYKJD-DUUOMRMWSA-N 1 0 384.307 2.694 20 0 GFADRO C[C@H]1CCCN(C(=O)C(=O)N[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)[C@H]1C[NH3+] ZINC000418816993 563226686 /nfs/dbraw/zinc/22/66/86/563226686.db2.gz MBKPOJNMZJJIJT-SPGJAERMSA-N 1 0 384.307 2.551 20 0 GFADRO Cn1ccnc1[C@@H](NCc1cc2c(cc1Br)OCO2)C(C)(C)CO ZINC000295044485 563226816 /nfs/dbraw/zinc/22/68/16/563226816.db2.gz MVRMFILEDQXKEF-OAHLLOKOSA-N 1 0 396.285 2.761 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N[C@@H](C)c2cc(F)c(Cl)cc2Cl)C1 ZINC000418847960 563227135 /nfs/dbraw/zinc/22/71/35/563227135.db2.gz KJLLYQCZORKFPX-LPEHRKFASA-N 1 0 376.259 2.505 20 0 GFADRO C[C@H](NC(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1ccc(Cl)cc1Cl ZINC000418842436 563227363 /nfs/dbraw/zinc/22/73/63/563227363.db2.gz ZZVASPJKQZTGDS-FMCLSXCISA-N 1 0 384.307 2.675 20 0 GFADRO C[C@H](NC(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1ccc(Cl)cc1Cl ZINC000418842433 563227491 /nfs/dbraw/zinc/22/74/91/563227491.db2.gz ZZVASPJKQZTGDS-CIQGVGRVSA-N 1 0 384.307 2.675 20 0 GFADRO C[C@@H](NC(=O)C(=O)NC[C@H]1[NH2+]CCCC1(C)C)c1ccc(Br)cc1 ZINC000418855125 563227733 /nfs/dbraw/zinc/22/77/33/563227733.db2.gz CQLZQDPOWBNUEW-IUODEOHRSA-N 1 0 396.329 2.521 20 0 GFADRO COCCC[N@@H+]1CCCN(CCC(=O)Nc2ccccc2Br)CC1 ZINC000369913522 563228220 /nfs/dbraw/zinc/22/82/20/563228220.db2.gz QRIHELBEWRMBEO-UHFFFAOYSA-N 1 0 398.345 2.822 20 0 GFADRO O=C(N[C@H]1CCC[NH2+]CC1)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1 ZINC000369946145 563228864 /nfs/dbraw/zinc/22/88/64/563228864.db2.gz QMEKECKQSBKGTR-HNNXBMFYSA-N 1 0 384.929 2.685 20 0 GFADRO CCCN(C(=O)C(=O)N[C@H](C)c1ccc(Br)cc1)C1CC[NH2+]CC1 ZINC000418867906 563228946 /nfs/dbraw/zinc/22/89/46/563228946.db2.gz PYXNPJAELQTVAG-CYBMUJFWSA-N 1 0 396.329 2.617 20 0 GFADRO CCCC[C@H](C[NH3+])NC(=O)C(=O)N[C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000418891153 563229251 /nfs/dbraw/zinc/22/92/51/563229251.db2.gz LJRBLLXUNUJCCU-MGPQQGTHSA-N 1 0 386.323 2.989 20 0 GFADRO O=C(NCC[C@H]1CCC[NH2+]1)C(=O)N[C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000418893433 563229547 /nfs/dbraw/zinc/22/95/47/563229547.db2.gz POAHVADSXNNMBB-MGPQQGTHSA-N 1 0 384.307 2.614 20 0 GFADRO COc1cc(CNC(=O)[C@H]2C[C@@H]3CCCC[N@@H+]3C2)cc(Br)c1OC ZINC000370013777 563230676 /nfs/dbraw/zinc/23/06/76/563230676.db2.gz XDZJXYPKWQPGIB-KBPBESRZSA-N 1 0 397.313 2.957 20 0 GFADRO Cn1cc(C[C@H]2CC[N@H+](CC(=O)Nc3ccc(Br)cc3)C2)cn1 ZINC000370004537 563231199 /nfs/dbraw/zinc/23/11/99/563231199.db2.gz CGYFAEVMWDYEQE-CYBMUJFWSA-N 1 0 377.286 2.686 20 0 GFADRO C[C@@H](NC(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1)c1ccc(Cl)cc1Cl ZINC000418951211 563231416 /nfs/dbraw/zinc/23/14/16/563231416.db2.gz IHOFVBKIEQXXSW-AZLWOZFGSA-N 1 0 384.307 2.756 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)NCCCc2ccc(Cl)cc2Cl)C1 ZINC000419032171 563232394 /nfs/dbraw/zinc/23/23/94/563232394.db2.gz ARGILPCFLSAYTR-GXTWGEPZSA-N 1 0 386.323 2.628 20 0 GFADRO O=C(CCN1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)Nc1cc(Cl)ccc1Cl ZINC000370054172 563232553 /nfs/dbraw/zinc/23/25/53/563232553.db2.gz UQGJWTNSJGRLKI-IAGOWNOFSA-N 1 0 386.323 2.853 20 0 GFADRO C[C@@H](NC(=O)C(=O)NCCCc1ccc(Cl)cc1Cl)[C@@H]1CCC[NH2+]C1 ZINC000419043242 563233088 /nfs/dbraw/zinc/23/30/88/563233088.db2.gz QXTOYSKFMYFBKR-TZMCWYRMSA-N 1 0 386.323 2.547 20 0 GFADRO C[C@H](NC(=O)C(=O)N[C@H]1CCc2c1ccc(Cl)c2Cl)[C@H]1CCC[NH2+]C1 ZINC000419096530 563233113 /nfs/dbraw/zinc/23/31/13/563233113.db2.gz LXKMWEBAEJHFJG-PGUXBMHVSA-N 1 0 384.307 2.601 20 0 GFADRO CC1(CNC(=O)C(=O)NCCCc2ccc(Cl)cc2Cl)CC[NH2+]CC1 ZINC000419044137 563233135 /nfs/dbraw/zinc/23/31/35/563233135.db2.gz SHGJWFHIDDRPBR-UHFFFAOYSA-N 1 0 386.323 2.548 20 0 GFADRO C[C@H]([NH3+])C1CCN(C(=O)C(=O)N[C@H]2CCc3c2ccc(Cl)c3Cl)CC1 ZINC000419088466 563233195 /nfs/dbraw/zinc/23/31/95/563233195.db2.gz BHHWEBQYYUPQJF-BONVTDFDSA-N 1 0 384.307 2.683 20 0 GFADRO [NH3+]C1(CNC(=O)C(=O)N[C@H]2CCc3c2ccc(Cl)c3Cl)CCCCC1 ZINC000419089042 563233280 /nfs/dbraw/zinc/23/32/80/563233280.db2.gz CKZDXAAQRDUFEU-AWEZNQCLSA-N 1 0 384.307 2.875 20 0 GFADRO C[C@@]1(CNC(=O)C(=O)N[C@H]2CCc3c2ccc(Cl)c3Cl)CCC[NH2+]C1 ZINC000419105625 563233894 /nfs/dbraw/zinc/23/38/94/563233894.db2.gz UVZCOMOPDQBCGA-KBXCAEBGSA-N 1 0 384.307 2.603 20 0 GFADRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)N[C@@H](c1ccsc1)c1ccc(Cl)cc1 ZINC000419124831 563233994 /nfs/dbraw/zinc/23/39/94/563233994.db2.gz JACCPJGKBUDOBC-MLGOLLRUSA-N 1 0 379.913 2.579 20 0 GFADRO CC(C)[C@H]([NH3+])CNC(=O)C(=O)N[C@H](c1ccsc1)c1ccc(Cl)cc1 ZINC000419127270 563234030 /nfs/dbraw/zinc/23/40/30/563234030.db2.gz PKKNNMRGKOUEED-CVEARBPZSA-N 1 0 379.913 2.707 20 0 GFADRO C[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000419293781 563236199 /nfs/dbraw/zinc/23/61/99/563236199.db2.gz ZYBDEJPMBHISJT-KPZWWZAWSA-N 1 0 386.323 2.547 20 0 GFADRO C[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000419293783 563236308 /nfs/dbraw/zinc/23/63/08/563236308.db2.gz ZYBDEJPMBHISJT-SGTLLEGYSA-N 1 0 386.323 2.547 20 0 GFADRO NC(=O)[C@@H]([NH2+][C@@H]1CCN(c2ccc(F)cc2)C1)c1cccc(Br)c1 ZINC000419335155 563238116 /nfs/dbraw/zinc/23/81/16/563238116.db2.gz JMNDNOAASASKOR-WBVHZDCISA-N 1 0 392.272 2.983 20 0 GFADRO COCCCC[N@H+](C)[C@@H](C)C(=O)Nc1cccc(I)c1 ZINC000419379145 563239347 /nfs/dbraw/zinc/23/93/47/563239347.db2.gz FEFGPBZNLHHYCL-LBPRGKRZSA-N 1 0 390.265 2.977 20 0 GFADRO C[C@@H](CNC(=O)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)c1c(Cl)cccc1Cl ZINC000419510507 563241348 /nfs/dbraw/zinc/24/13/48/563241348.db2.gz BMVAAOPAHCFWES-RWMBFGLXSA-N 1 0 384.307 2.566 20 0 GFADRO C[C@@H](CNC(=O)C(=O)N[C@H](C[NH3+])C1CCCC1)c1c(Cl)cccc1Cl ZINC000419522975 563241719 /nfs/dbraw/zinc/24/17/19/563241719.db2.gz VLCRAZVBDIGMFS-XHDPSFHLSA-N 1 0 386.323 2.847 20 0 GFADRO C[C@H](Cc1c(Cl)cccc1Cl)NC(=O)C(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000419553895 563241881 /nfs/dbraw/zinc/24/18/81/563241881.db2.gz AXHLPQZBJRCUFJ-NEPJUHHUSA-N 1 0 386.323 2.626 20 0 GFADRO CC(C)c1nn(-c2ccc(Br)cc2)cc1C[N@@H+]1C[C@@H](O)C[C@@H]1CO ZINC000370388101 563242106 /nfs/dbraw/zinc/24/21/06/563242106.db2.gz MQBOEJPDJDZWCR-SJORKVTESA-N 1 0 394.313 2.686 20 0 GFADRO CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)c3cccc(Br)c3)C2)CC1 ZINC000370424550 563243564 /nfs/dbraw/zinc/24/35/64/563243564.db2.gz PHAFODHBAZBAOI-QGZVFWFLSA-N 1 0 380.330 2.690 20 0 GFADRO CCCN(C(=O)C(=O)NCc1cc(Cl)sc1Cl)C1CC[NH2+]CC1 ZINC000419636006 563243993 /nfs/dbraw/zinc/24/39/93/563243993.db2.gz ROHRUSKHEKXVLL-UHFFFAOYSA-N 1 0 378.325 2.662 20 0 GFADRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)[C@@H]1CCCN1C(=O)c1ccc(Cl)s1 ZINC000370472505 563245092 /nfs/dbraw/zinc/24/50/92/563245092.db2.gz OJNPIYOFTAWAEH-XBFCOCLRSA-N 1 0 381.929 2.605 20 0 GFADRO C[N@@H+]1CC[C@@H]2CCN([C@H]3CCN(c4cccc(Br)c4)C3=O)C[C@H]21 ZINC000370501328 563246563 /nfs/dbraw/zinc/24/65/63/563246563.db2.gz VZFCQCQOSJEPIY-XOKHGSTOSA-N 1 0 378.314 2.580 20 0 GFADRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)NCC(C)(C)c1c(Cl)cccc1Cl ZINC000419700502 563246701 /nfs/dbraw/zinc/24/67/01/563246701.db2.gz XNMRNEKYZUKGQQ-RISCZKNCSA-N 1 0 386.323 2.501 20 0 GFADRO Cc1c2cc(Cl)ccc2sc1CNC(=O)C(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000419704649 563246899 /nfs/dbraw/zinc/24/68/99/563246899.db2.gz HVXMFCCFPOJXMU-QMTHXVAHSA-N 1 0 379.913 2.594 20 0 GFADRO C[C@H]1C[C@H](NC(=O)C(=O)NCC(C)(C)c2c(Cl)cccc2Cl)CC[NH2+]1 ZINC000419699596 563246906 /nfs/dbraw/zinc/24/69/06/563246906.db2.gz WPPDAVLWYZZQLM-NWDGAFQWSA-N 1 0 386.323 2.644 20 0 GFADRO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)NCc2sc3ccc(Cl)cc3c2C)C1 ZINC000419713210 563247479 /nfs/dbraw/zinc/24/74/79/563247479.db2.gz RRMNILLMFIAJSN-LBPRGKRZSA-N 1 0 379.913 2.547 20 0 GFADRO C[NH+](C)C[C@@H](NCc1ccc(S(N)(=O)=O)c(Cl)c1)c1ccc(F)cc1 ZINC000419711020 563247695 /nfs/dbraw/zinc/24/76/95/563247695.db2.gz RGRKXVWCECFVEK-MRXNPFEDSA-N 1 0 385.892 2.519 20 0 GFADRO C[NH+](C)CCCC1CCN(C(=O)Cc2cc[nH]c(=O)c2Br)CC1 ZINC000278270084 563247903 /nfs/dbraw/zinc/24/79/03/563247903.db2.gz AQRHGCPYGFGPCB-UHFFFAOYSA-N 1 0 384.318 2.673 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+]CCc2cc(C(F)(F)F)ccn2)cc1Cl ZINC000419748738 563249775 /nfs/dbraw/zinc/24/97/75/563249775.db2.gz OZCLXBKTLNEPBK-UHFFFAOYSA-N 1 0 393.818 2.734 20 0 GFADRO C[C@@H](CO)[N@@H+]1CCCN(C(=O)Nc2c(F)cc(F)cc2Br)CC1 ZINC000370631411 563251253 /nfs/dbraw/zinc/25/12/53/563251253.db2.gz OPHXTVWBIGJHAT-JTQLQIEISA-N 1 0 392.244 2.648 20 0 GFADRO [NH3+][C@H]1CCC[C@H](NC(=O)C(=O)N(Cc2cccs2)Cc2cccs2)C1 ZINC000419886414 563252453 /nfs/dbraw/zinc/25/24/53/563252453.db2.gz ZZPVOTZIPVZTQU-KBPBESRZSA-N 1 0 377.535 2.725 20 0 GFADRO CCC[NH2+]CCNC(=O)C(=O)N(Cc1ccccc1Br)CC(C)C ZINC000419909114 563252606 /nfs/dbraw/zinc/25/26/06/563252606.db2.gz KOIDHFUSNSEJQR-UHFFFAOYSA-N 1 0 398.345 2.550 20 0 GFADRO C[C@H]1c2c(Cl)cc(Cl)cc2CCN1C(=O)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000419922219 563253321 /nfs/dbraw/zinc/25/33/21/563253321.db2.gz ZEYDYQUKHQSBNX-NWDGAFQWSA-N 1 0 384.307 2.555 20 0 GFADRO O=C(CCc1ccccc1Br)NC[C@@H]1CCC[C@H]1[NH+]1CCOCC1 ZINC000370772320 563254960 /nfs/dbraw/zinc/25/49/60/563254960.db2.gz KALSYKICRNWNBA-FUHWJXTLSA-N 1 0 395.341 2.999 20 0 GFADRO CC(C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000419998423 563255777 /nfs/dbraw/zinc/25/57/77/563255777.db2.gz LNYHHBUOUUXRHT-AWEZNQCLSA-N 1 0 386.323 2.989 20 0 GFADRO Cn1ncc(Br)c1C[NH2+]C1CCN(C(=O)c2ccccc2F)CC1 ZINC000278438273 563255782 /nfs/dbraw/zinc/25/57/82/563255782.db2.gz TYAVNJQINFCIFO-UHFFFAOYSA-N 1 0 395.276 2.716 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)c1ccc(Br)cc1F ZINC000370823899 563256538 /nfs/dbraw/zinc/25/65/38/563256538.db2.gz MLFZNUCWJFNKMT-WQVCFCJDSA-N 1 0 385.277 2.912 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2S(=O)(=O)c1ccc(C(C)(C)C)s1 ZINC000370817661 563256610 /nfs/dbraw/zinc/25/66/10/563256610.db2.gz XFFCGNWXJYHENP-KFWWJZLASA-N 1 0 386.583 2.918 20 0 GFADRO C[NH+](C)CC[C@@](C)(O)CNC(=O)c1ccc(Br)c(C(F)(F)F)c1 ZINC000420014675 563256788 /nfs/dbraw/zinc/25/67/88/563256788.db2.gz KYZJSTNSWGFYHC-CQSZACIVSA-N 1 0 397.235 2.900 20 0 GFADRO Cc1cc(Br)cc2c(C(=O)NC[C@](C)(O)CC[NH+](C)C)coc21 ZINC000420023001 563256912 /nfs/dbraw/zinc/25/69/12/563256912.db2.gz WZJMKRZMRNVXBI-QGZVFWFLSA-N 1 0 383.286 2.936 20 0 GFADRO C[C@@H](c1ccccc1Br)N(C)C(=O)C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000420050113 563257495 /nfs/dbraw/zinc/25/74/95/563257495.db2.gz GZSMMYXTXWQPSN-BLLLJJGKSA-N 1 0 396.329 2.602 20 0 GFADRO CN(C(=O)c1cccc(Br)c1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000370829133 563257734 /nfs/dbraw/zinc/25/77/34/563257734.db2.gz DTCLPQAFJUICCR-KRWDZBQOSA-N 1 0 380.330 2.690 20 0 GFADRO CC(C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000420135377 563259020 /nfs/dbraw/zinc/25/90/20/563259020.db2.gz VEIOZHVHOVAWSJ-MLGOLLRUSA-N 1 0 386.323 2.845 20 0 GFADRO COCC[N@@H+]1CCCN(C(=O)c2c(F)ccc(Br)c2F)CC1 ZINC000278528399 563260224 /nfs/dbraw/zinc/26/02/24/563260224.db2.gz ZGFNYVYUVVFTCA-UHFFFAOYSA-N 1 0 377.229 2.522 20 0 GFADRO C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000420347400 563262119 /nfs/dbraw/zinc/26/21/19/563262119.db2.gz GMFLDWQAMMVEJA-XYPHTWIQSA-N 1 0 380.330 2.622 20 0 GFADRO O=C(CN1CCCC[C@@H]1[C@H]1CC[NH2+]C1)Nc1ccc(Br)cc1F ZINC000420402043 563262939 /nfs/dbraw/zinc/26/29/39/563262939.db2.gz PWZTXIPWGZHRSW-BLLLJJGKSA-N 1 0 384.293 2.991 20 0 GFADRO CN(Cc1ccccc1Br)C(=O)CN1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420411286 563263089 /nfs/dbraw/zinc/26/30/89/563263089.db2.gz YPJUDGUJVIQNCM-YJBOKZPZSA-N 1 0 394.357 2.872 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+]C[C@]1(O)CCO[C@@H]1C ZINC000278624338 563263219 /nfs/dbraw/zinc/26/32/19/563263219.db2.gz KBSJAHGBVGCJIT-CXAGYDPISA-N 1 0 380.286 2.573 20 0 GFADRO CC1(NS(=O)(=O)c2cc(Cl)c(Br)cc2F)CC[NH2+]CC1 ZINC000420456248 563263635 /nfs/dbraw/zinc/26/36/35/563263635.db2.gz ZNRUAUUDFXBXLL-UHFFFAOYSA-N 1 0 385.686 2.662 20 0 GFADRO O=S(=O)(c1cc(Br)ccc1F)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420470550 563264993 /nfs/dbraw/zinc/26/49/93/563264993.db2.gz XAALYFWTLCTOOR-BXUZGUMPSA-N 1 0 391.306 2.741 20 0 GFADRO Cc1cc(Br)ccc1S(=O)(=O)N1C[C@@H]([NH3+])Cc2ccccc21 ZINC000420477642 563266017 /nfs/dbraw/zinc/26/60/17/563266017.db2.gz UMTZGRNXDSGRQR-AWEZNQCLSA-N 1 0 381.295 2.836 20 0 GFADRO C[C@@H](NC(=O)Cc1cc[nH]c(=O)c1Br)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000278729195 563268307 /nfs/dbraw/zinc/26/83/07/563268307.db2.gz RUJXZNDSQCKKGU-TZMCWYRMSA-N 1 0 396.329 2.861 20 0 GFADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1c[nH]c2cccc(Br)c12 ZINC000371199319 563268249 /nfs/dbraw/zinc/26/82/49/563268249.db2.gz SLSYJWHLZFTJQD-NEPJUHHUSA-N 1 0 378.270 2.523 20 0 GFADRO O=S(=O)(c1cc(F)ccc1OC(F)F)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000420654894 563270028 /nfs/dbraw/zinc/27/00/28/563270028.db2.gz BOMWORUEWWHLAC-CYBMUJFWSA-N 1 0 378.416 2.676 20 0 GFADRO CC(C)[NH+]1CCN([C@H]2CCN(Cc3cc(O)ccc3Br)C2)CC1 ZINC000371331477 563273270 /nfs/dbraw/zinc/27/32/70/563273270.db2.gz IEMABCAUSHKGJD-INIZCTEOSA-N 1 0 382.346 2.755 20 0 GFADRO COc1c(Cl)cc(NC(=O)C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1Cl ZINC000296070524 563273734 /nfs/dbraw/zinc/27/37/34/563273734.db2.gz DEFAEBZDPBCWNW-CLYYMRHHSA-N 1 0 386.279 2.682 20 0 GFADRO C[C@H]([NH2+]C[C@H]1CCC[C@]12NC(=O)N(C)C2=O)c1ccc(F)c(Br)c1 ZINC000371481150 563278597 /nfs/dbraw/zinc/27/85/97/563278597.db2.gz UFIDOCWLJPOPSD-BFCNOCSMSA-N 1 0 398.276 2.959 20 0 GFADRO COc1cc(C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)cc(OC)c1Br ZINC000371516026 563279960 /nfs/dbraw/zinc/27/99/60/563279960.db2.gz FDSVDOJRIHUNQJ-CYBMUJFWSA-N 1 0 383.286 2.777 20 0 GFADRO O=C(NC1(c2ccc(Br)cc2)CC1)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000279021650 563280405 /nfs/dbraw/zinc/28/04/05/563280405.db2.gz ORTNXMXGBZLVEM-LLVKDONJSA-N 1 0 375.270 2.668 20 0 GFADRO Cc1ccc(NC(=O)C(=O)NC2CC[NH+](C3CCC3)CC2)cc1Br ZINC000296239567 563280561 /nfs/dbraw/zinc/28/05/61/563280561.db2.gz QYCJDZAEMMEBBJ-UHFFFAOYSA-N 1 0 394.313 2.829 20 0 GFADRO CC1(C[NH+]2CCOCC2)CCN(C(=O)c2cc(Br)ccc2O)CC1 ZINC000371545365 563281379 /nfs/dbraw/zinc/28/13/79/563281379.db2.gz IEPZKVFITAGBLB-UHFFFAOYSA-N 1 0 397.313 2.729 20 0 GFADRO COc1cc(S(=O)(=O)NC2CCC([NH+](C)C)CC2)ccc1Br ZINC000420753466 563283808 /nfs/dbraw/zinc/28/38/08/563283808.db2.gz ZXEZISGWJJDGNG-UHFFFAOYSA-N 1 0 391.331 2.609 20 0 GFADRO O=C(Nc1nc(-c2cccs2)cs1)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000371832708 563289026 /nfs/dbraw/zinc/28/90/26/563289026.db2.gz PTZPOJIEXPCQCB-NWDGAFQWSA-N 1 0 376.507 2.553 20 0 GFADRO C[NH+](C)CCSCC(=O)N1c2ccccc2NC(=O)C[C@H]1C(F)(F)F ZINC000371897772 563290420 /nfs/dbraw/zinc/29/04/20/563290420.db2.gz ULWVNTSIEVCXSX-ZDUSSCGKSA-N 1 0 375.416 2.588 20 0 GFADRO COc1cc(C[N@H+](C)CCCCCO)cc(I)c1OC ZINC000279362529 563293943 /nfs/dbraw/zinc/29/39/43/563293943.db2.gz HGLNLXDRWBUPAY-UHFFFAOYSA-N 1 0 393.265 2.903 20 0 GFADRO CC[C@@H](CS(=O)(=O)Nc1cc(Cl)ccc1N1CC[NH+](CC)CC1)OC ZINC000421224948 563301155 /nfs/dbraw/zinc/30/11/55/563301155.db2.gz JHWRVZYYEYWDKE-HNNXBMFYSA-N 1 0 389.949 2.649 20 0 GFADRO CCCN(CCC[NH+](C)C)C(=O)C(=O)N1CCc2c1cccc2Br ZINC000421221084 563301220 /nfs/dbraw/zinc/30/12/20/563301220.db2.gz TUHDKPZGGPUEBJ-UHFFFAOYSA-N 1 0 396.329 2.529 20 0 GFADRO C[C@H]1CN(C(=O)NCCc2ccc(Cl)s2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000372332031 563302304 /nfs/dbraw/zinc/30/23/04/563302304.db2.gz KIZXYODGFWDAQL-HOCLYGCPSA-N 1 0 384.977 2.611 20 0 GFADRO Cc1c(Br)ccc(C(=O)NCCCC[N@@H+]2CCC[C@H]2CO)c1F ZINC000279601746 563302774 /nfs/dbraw/zinc/30/27/74/563302774.db2.gz YGBBPLQYBHZJIN-ZDUSSCGKSA-N 1 0 387.293 2.863 20 0 GFADRO C[C@@H]1CN(C(=O)c2c(F)cccc2Br)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000372355088 563303329 /nfs/dbraw/zinc/30/33/29/563303329.db2.gz GUTDQDVTFJHWJN-CJNGLKHVSA-N 1 0 398.320 2.686 20 0 GFADRO C[C@H]1CN(C(=O)c2ccc(Br)cc2F)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000372364485 563304006 /nfs/dbraw/zinc/30/40/06/563304006.db2.gz FYGXGTLFNNPGFW-SUMWQHHRSA-N 1 0 398.320 2.686 20 0 GFADRO Cn1cc([C@H]2[C@H](C[NH2+]Cc3ccc(Br)cc3F)CC(=O)N2C)cn1 ZINC000372389331 563304623 /nfs/dbraw/zinc/30/46/23/563304623.db2.gz KCZADVJWSFUZJZ-YVEFUNNKSA-N 1 0 395.276 2.631 20 0 GFADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+]C[C@H]1CCSC1 ZINC000296846769 563305023 /nfs/dbraw/zinc/30/50/23/563305023.db2.gz OMQZUVAWNIVRDV-VXGBXAGGSA-N 1 0 387.343 2.805 20 0 GFADRO CC[C@H](Cc1ccccc1Br)NC(=O)C1(COC)CC[NH2+]CC1 ZINC000279874210 563313962 /nfs/dbraw/zinc/31/39/62/563313962.db2.gz DTYVAILPTNSCSI-OAHLLOKOSA-N 1 0 383.330 2.903 20 0 GFADRO CC[C@@H](C)NC(=O)CC[NH2+][C@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000279956963 563316463 /nfs/dbraw/zinc/31/64/63/563316463.db2.gz CBACITQABHGQQE-NXEZZACHSA-N 1 0 396.340 2.596 20 0 GFADRO O=C(Nc1cccnc1Br)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000372764603 563316621 /nfs/dbraw/zinc/31/66/21/563316621.db2.gz GUPCBRDFBBZDHK-UHFFFAOYSA-N 1 0 397.317 2.810 20 0 GFADRO Cc1cc(F)c(Br)cc1NC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000372773844 563317596 /nfs/dbraw/zinc/31/75/96/563317596.db2.gz WFNWHIFGXGMSFH-VXGBXAGGSA-N 1 0 398.276 2.578 20 0 GFADRO C[C@H](NCCC[NH+]1CCCC1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000280034715 563319884 /nfs/dbraw/zinc/31/98/84/563319884.db2.gz IJCTUHPEBQWXRG-NSHDSACASA-N 1 0 380.341 2.777 20 0 GFADRO Cc1nccn1CCC[NH2+][C@@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000280052360 563320214 /nfs/dbraw/zinc/32/02/14/563320214.db2.gz JQMGODBXLDDXNO-JTQLQIEISA-N 1 0 391.324 2.887 20 0 GFADRO Cc1nc2ccc(Br)cn2c1C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000280046537 563320341 /nfs/dbraw/zinc/32/03/41/563320341.db2.gz XDOJVWSQYGHCLF-UHFFFAOYSA-N 1 0 377.286 2.573 20 0 GFADRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)c1ccc(S(C)(=O)=O)s1 ZINC000421752665 563321355 /nfs/dbraw/zinc/32/13/55/563321355.db2.gz UGVFNEBXNXULRF-UHFFFAOYSA-N 1 0 380.535 2.922 20 0 GFADRO C[NH+](C)CCn1nccc1NC(=O)NC[C@@H](O)c1c(Cl)cccc1Cl ZINC000297296366 563322740 /nfs/dbraw/zinc/32/27/40/563322740.db2.gz HKMFFHLDFBZPCP-CYBMUJFWSA-N 1 0 386.283 2.607 20 0 GFADRO Cc1nc(C(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)nn1-c1c(Cl)cccc1Cl ZINC000372922702 563322762 /nfs/dbraw/zinc/32/27/62/563322762.db2.gz SVRRHXJKGQUNCC-RISCZKNCSA-N 1 0 380.279 2.707 20 0 GFADRO CC1CC[NH+](CC2CCN(C(=O)c3cc(Br)nn3C)CC2)CC1 ZINC000372941758 563323745 /nfs/dbraw/zinc/32/37/45/563323745.db2.gz DSROQPKFDKSSQG-UHFFFAOYSA-N 1 0 383.334 2.767 20 0 GFADRO C[C@H](CO[C@H]1CCOC1)NC(=O)C1CC[NH+](Cc2ccc(Cl)s2)CC1 ZINC000372972582 563324440 /nfs/dbraw/zinc/32/44/40/563324440.db2.gz CNTJTRUMSAOSRQ-HIFRSBDPSA-N 1 0 386.945 2.924 20 0 GFADRO O=S1(=O)CC[C@H]([NH2+]C2CCN(Cc3ccc(F)c(Cl)c3Cl)CC2)C1 ZINC000372986287 563325135 /nfs/dbraw/zinc/32/51/35/563325135.db2.gz VVDFQZZDBCTYKH-ZDUSSCGKSA-N 1 0 395.327 2.874 20 0 GFADRO C[NH+](C)C[C@H]1CCN(C(=O)NCCC(=O)Nc2cc(Cl)cc(Cl)c2)C1 ZINC000297497027 563327955 /nfs/dbraw/zinc/32/79/55/563327955.db2.gz NVYBIBDFJFWSGQ-GFCCVEGCSA-N 1 0 387.311 2.915 20 0 GFADRO OC[C@H](C[NH2+]Cc1ccc(Br)c(Br)c1)[C@H]1CCOC1 ZINC000280280175 563330341 /nfs/dbraw/zinc/33/03/41/563330341.db2.gz LOGXEDYJAFDUIT-RYUDHWBXSA-N 1 0 393.119 2.946 20 0 GFADRO Cc1c(Br)scc1C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000373278396 563333259 /nfs/dbraw/zinc/33/32/59/563333259.db2.gz NYQBQWBQBIDSAY-UHFFFAOYSA-N 1 0 383.315 3.535 20 0 GFADRO O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)c1c(F)ccc(Br)c1F ZINC000373316937 563334715 /nfs/dbraw/zinc/33/47/15/563334715.db2.gz HMRVZVOTOSDZOS-LLVKDONJSA-N 1 0 389.240 2.710 20 0 GFADRO C[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000422283835 563336356 /nfs/dbraw/zinc/33/63/56/563336356.db2.gz NYPKIQHXONUHPC-SWLSCSKDSA-N 1 0 386.323 2.593 20 0 GFADRO CCS(=O)(=O)c1ccc(C[NH2+]Cc2ccc(-n3cncn3)c(C)c2)s1 ZINC000280580682 563344694 /nfs/dbraw/zinc/34/46/94/563344694.db2.gz MNQIKIKYXDJUIY-UHFFFAOYSA-N 1 0 376.507 2.721 20 0 GFADRO CC[NH+]1CCN(CCC(=O)N[C@@H]2C[C@H]2c2ccc(Br)c(F)c2)CC1 ZINC000280620431 563346535 /nfs/dbraw/zinc/34/65/35/563346535.db2.gz QCZUTTKOJUQRMC-WMLDXEAASA-N 1 0 398.320 2.588 20 0 GFADRO COc1ccc(Br)cc1C[N@H+](C)C[C@@H](O)COCCOC(C)C ZINC000298204740 563347516 /nfs/dbraw/zinc/34/75/16/563347516.db2.gz NDKDYQKBUGRMBS-MRXNPFEDSA-N 1 0 390.318 2.692 20 0 GFADRO CCOC(=O)c1csc(CC[NH2+]C2CCN(c3nc(C)cs3)CC2)n1 ZINC000373740736 563348894 /nfs/dbraw/zinc/34/88/94/563348894.db2.gz JEHXSLXGDFCWIW-UHFFFAOYSA-N 1 0 380.539 2.886 20 0 GFADRO C[NH2+]C(C)(C)CNC(=O)Nc1cc(Br)cc(C(=O)N2CCCC2)c1 ZINC000280712875 563351100 /nfs/dbraw/zinc/35/11/00/563351100.db2.gz SZDQMEAGXBZNEE-UHFFFAOYSA-N 1 0 397.317 2.805 20 0 GFADRO FC(F)Oc1ccc(Br)cc1CN[C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000422944297 563351534 /nfs/dbraw/zinc/35/15/34/563351534.db2.gz LIIZCOFCJISMTM-HUUCEWRRSA-N 1 0 391.256 2.907 20 0 GFADRO C[NH+](C)CCCNC(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000298350089 563351755 /nfs/dbraw/zinc/35/17/55/563351755.db2.gz TYNJGPNIIOLUHH-CQSZACIVSA-N 1 0 386.323 2.914 20 0 GFADRO Cc1ccc(C[NH2+][C@H](C)c2ccc(Br)c(S(N)(=O)=O)c2)cn1 ZINC000280728572 563352033 /nfs/dbraw/zinc/35/20/33/563352033.db2.gz NWIXJJFHKYYVRY-LLVKDONJSA-N 1 0 384.299 2.651 20 0 GFADRO CCN(C)C(=O)CC[NH2+][C@@H](CO)c1ccc(Br)cc1C(F)(F)F ZINC000280747127 563352376 /nfs/dbraw/zinc/35/23/76/563352376.db2.gz MYZNRWABVAIIND-ZDUSSCGKSA-N 1 0 397.235 2.959 20 0 GFADRO CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000423012187 563352962 /nfs/dbraw/zinc/35/29/62/563352962.db2.gz KFRMFJLVXQVWPC-CQSZACIVSA-N 1 0 383.945 2.598 20 0 GFADRO CCS(=O)(=O)CCCCC[NH2+][C@@H](c1ccc(C)cc1)[C@H](C)S(C)(=O)=O ZINC000280781599 563353700 /nfs/dbraw/zinc/35/37/00/563353700.db2.gz IJLDFTXWUQBVBX-FUHWJXTLSA-N 1 0 389.583 2.664 20 0 GFADRO CC1(C)CCC[NH2+][C@H]1C(=O)NC[C@@H](O)COc1cccc(Cl)c1Cl ZINC000423079217 563354108 /nfs/dbraw/zinc/35/41/08/563354108.db2.gz XTEBLZCWCCJWPE-ABAIWWIYSA-N 1 0 375.296 2.628 20 0 GFADRO CC(C)[C@H](C(=O)N1CCN(C(=O)c2c(Cl)cccc2Cl)CC1)[C@H](C)[NH3+] ZINC000423066744 563354158 /nfs/dbraw/zinc/35/41/58/563354158.db2.gz XRFSZSJASJWOSA-WFASDCNBSA-N 1 0 386.323 2.897 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CNC(=O)[C@@H]1[NH2+]CCCC1(C)C ZINC000423109317 563355470 /nfs/dbraw/zinc/35/54/70/563355470.db2.gz NKXDVSVQGBTXLZ-HNNXBMFYSA-N 1 0 382.302 2.590 20 0 GFADRO CN(Cc1c(Cl)cccc1Cl)C(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000423096623 563355672 /nfs/dbraw/zinc/35/56/72/563355672.db2.gz HVIDHNRCHPHARU-OZVIIMIRSA-N 1 0 384.307 2.538 20 0 GFADRO [NH3+]CC1(CC(=O)N2CCC(C(=O)Nc3ccc(Br)cc3)CC2)CC1 ZINC000423126802 563356186 /nfs/dbraw/zinc/35/61/86/563356186.db2.gz OVGUDGQVSREOAQ-UHFFFAOYSA-N 1 0 394.313 2.755 20 0 GFADRO C[C@H]1C[N@@H+](C2CCN(C(=O)c3ccc(Br)cc3F)CC2)CCO1 ZINC000373946909 563356485 /nfs/dbraw/zinc/35/64/85/563356485.db2.gz KHWHVLXANNRXEX-LBPRGKRZSA-N 1 0 385.277 2.914 20 0 GFADRO Cc1ccc(F)c(NC(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)c1Br ZINC000280833354 563356880 /nfs/dbraw/zinc/35/68/80/563356880.db2.gz WEOXQRHNPWBVOT-QWHCGFSZSA-N 1 0 398.276 2.578 20 0 GFADRO COc1cc(Br)c(CNC(=O)[C@H]2[NH2+]CCCC2(C)C)cc1OC ZINC000423151143 563357198 /nfs/dbraw/zinc/35/71/98/563357198.db2.gz ZZJAALDDLIEACW-OAHLLOKOSA-N 1 0 385.302 2.861 20 0 GFADRO C[N@@H+]1CCCN(C(=O)c2ccccc2NC(=O)[C@]2(C)CC2(Cl)Cl)CC1 ZINC000373998494 563357591 /nfs/dbraw/zinc/35/75/91/563357591.db2.gz QJYWVJPVSGBUHW-KRWDZBQOSA-N 1 0 384.307 2.987 20 0 GFADRO CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000423195665 563358454 /nfs/dbraw/zinc/35/84/54/563358454.db2.gz XZDDEDHNNSDGKO-CJNGLKHVSA-N 1 0 384.307 2.552 20 0 GFADRO COC(=O)C[C@H]([NH3+])C(=O)NC[C@@H](Cc1ccc(Cl)cc1Cl)C(C)C ZINC000423190414 563358863 /nfs/dbraw/zinc/35/88/63/563358863.db2.gz RTOGFELPDJGBKG-DOMZBBRYSA-N 1 0 375.296 2.815 20 0 GFADRO CC[C@@H](CSC)[NH2+][C@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000280901884 563360206 /nfs/dbraw/zinc/36/02/06/563360206.db2.gz FKJZLJVBBGEIST-KOLCDFICSA-N 1 0 381.361 2.889 20 0 GFADRO Cc1c([C@H](C)N[C@@H]2CC[NH2+]C[C@@H]2C)nnn1-c1cccc(Br)c1 ZINC000423361363 563360619 /nfs/dbraw/zinc/36/06/19/563360619.db2.gz AFIBQRIIWBXUFC-MQIPJXDCSA-N 1 0 378.318 2.987 20 0 GFADRO CN1CCNC[C@@H]1C[NH2+][C@@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC000423484740 563361261 /nfs/dbraw/zinc/36/12/61/563361261.db2.gz AJLOUZWRUYMXRU-CXAGYDPISA-N 1 0 377.330 2.801 20 0 GFADRO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N(C)[C@H](C)c1ccccc1Br ZINC000423572040 563361968 /nfs/dbraw/zinc/36/19/68/563361968.db2.gz WPWWCXZPAUCISM-CZUORRHYSA-N 1 0 398.345 2.800 20 0 GFADRO C[C@@H]1c2cc(Cl)cc(Cl)c2CCN1C(=O)C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000423545120 563361995 /nfs/dbraw/zinc/36/19/95/563361995.db2.gz OTZSATIRBYQBLC-ADLMAVQZSA-N 1 0 384.307 2.636 20 0 GFADRO C[C@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH2+]C[C@H]1CNCCO1 ZINC000423571297 563362135 /nfs/dbraw/zinc/36/21/35/563362135.db2.gz NOVGUZOZSIODOK-ZYHUDNBSSA-N 1 0 379.810 2.654 20 0 GFADRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)c1cccc(NC(=O)c2ccc(Br)o2)c1 ZINC000423689746 563362765 /nfs/dbraw/zinc/36/27/65/563362765.db2.gz YDSNFBGNMMXTEC-GWCFXTLKSA-N 1 0 392.253 2.856 20 0 GFADRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)c1cccn1-c1ccc(I)cc1 ZINC000423684077 563362892 /nfs/dbraw/zinc/36/28/92/563362892.db2.gz ULNMMJBZIRVCLB-FZMZJTMJSA-N 1 0 395.244 2.644 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000423747682 563363304 /nfs/dbraw/zinc/36/33/04/563363304.db2.gz QQEPLZAXSLAOOG-TZMCWYRMSA-N 1 0 377.286 2.800 20 0 GFADRO C[C@@H](CN(C)C(=O)COC1CC[NH2+]CC1)Oc1ccc(Cl)c(Cl)c1 ZINC000423808777 563363505 /nfs/dbraw/zinc/36/35/05/563363505.db2.gz IYGYUPKQKKKZDU-LBPRGKRZSA-N 1 0 375.296 2.988 20 0 GFADRO CC[C@H](C)NC(=O)CC[NH2+][C@@H](CC)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000281006702 563363637 /nfs/dbraw/zinc/36/36/37/563363637.db2.gz YFMFWVKDBONOSN-WFASDCNBSA-N 1 0 389.949 2.594 20 0 GFADRO [NH3+][C@@H](C(=O)NCc1cc(Br)ccc1Br)C1CCC1 ZINC000423755950 563363651 /nfs/dbraw/zinc/36/36/51/563363651.db2.gz KIJMLIPIXGYMQZ-GFCCVEGCSA-N 1 0 376.092 2.955 20 0 GFADRO Cc1c(C(=O)N(C)[C@@H](C[NH3+])C2CC2)cnn1-c1cccc(Br)c1 ZINC000423948822 563364838 /nfs/dbraw/zinc/36/48/38/563364838.db2.gz LXHOQZZTVHWTMR-INIZCTEOSA-N 1 0 377.286 2.753 20 0 GFADRO Cc1cc(NC(=O)C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc(F)c1Br ZINC000298712664 563364904 /nfs/dbraw/zinc/36/49/04/563364904.db2.gz AMGCYRSAVZKMRG-YHWZYXNKSA-N 1 0 398.276 2.577 20 0 GFADRO C[C@@H](CNC(=O)c1cccc(NC(=O)c2ccc(Br)o2)c1)[NH+](C)C ZINC000298758124 563365413 /nfs/dbraw/zinc/36/54/13/563365413.db2.gz QKKYAISMNDPQNT-NSHDSACASA-N 1 0 394.269 2.974 20 0 GFADRO [NH3+]C[C@H](NC(=O)c1ncc(Br)cc1Br)C1CCCC1 ZINC000423961319 563365720 /nfs/dbraw/zinc/36/57/20/563365720.db2.gz OAWYYGWNZZASOR-NSHDSACASA-N 1 0 391.107 2.854 20 0 GFADRO COc1cc([C@@H](C)[NH2+]CC2([S@@](C)=O)CCC2)ccc1S(=O)(=O)C(F)F ZINC000281078682 563365791 /nfs/dbraw/zinc/36/57/91/563365791.db2.gz OWZZXGIVNMSYID-YDGUKXNOSA-N 1 0 395.493 2.643 20 0 GFADRO O=C(NC1CCC(N2CC[NH2+]CC2)CC1)c1cc(F)cc(Br)c1 ZINC000423954324 563365783 /nfs/dbraw/zinc/36/57/83/563365783.db2.gz RVYGPEKCEOMCMO-UHFFFAOYSA-N 1 0 384.293 2.534 20 0 GFADRO C[C@@H]1CN(C(=O)c2ccc(S(=O)(=O)c3ccccc3)s2)C[C@@]1(C)C[NH3+] ZINC000423986077 563366198 /nfs/dbraw/zinc/36/61/98/563366198.db2.gz SOYQNJBIRGYKJO-FZKQIMNGSA-N 1 0 378.519 2.638 20 0 GFADRO Cc1oc(-c2ccc(Cl)c(Cl)c2)nc1C(=O)N1CCC(O)(C[NH3+])CC1 ZINC000424052658 563368727 /nfs/dbraw/zinc/36/87/27/563368727.db2.gz CGRXIMOGDWBWHE-UHFFFAOYSA-N 1 0 384.263 2.883 20 0 GFADRO C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000424076284 563369454 /nfs/dbraw/zinc/36/94/54/563369454.db2.gz QIHVPTONRFCXGC-NDBYEHHHSA-N 1 0 386.323 2.944 20 0 GFADRO [NH3+][C@H]1Cc2ccccc2N(C(=O)c2cc(Br)c3c(c2)OCCO3)C1 ZINC000424074985 563369513 /nfs/dbraw/zinc/36/95/13/563369513.db2.gz LENOGZYAUAANNQ-ZDUSSCGKSA-N 1 0 389.249 2.751 20 0 GFADRO O=C(Nc1ccc(Cl)c(Br)c1)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000424120530 563371032 /nfs/dbraw/zinc/37/10/32/563371032.db2.gz FBEMAJKPUXMMOO-SNVBAGLBSA-N 1 0 384.665 2.871 20 0 GFADRO C[C@@H](CNC(=O)c1ccc(C2SCCS2)cc1)C[NH+]1CCN(C)CC1 ZINC000299050477 563373929 /nfs/dbraw/zinc/37/39/29/563373929.db2.gz SJNTYKHLFJHQFI-HNNXBMFYSA-N 1 0 379.595 2.779 20 0 GFADRO COc1cc([C@H](C)[NH2+][C@H]2CCO[C@H]2C2CC2)ccc1S(=O)(=O)C(F)F ZINC000374498771 563374483 /nfs/dbraw/zinc/37/44/83/563374483.db2.gz WNFNQKBFGLSXKI-NKFCBESUSA-N 1 0 375.437 2.910 20 0 GFADRO C[C@@H]([NH2+]CCCCS(C)(=O)=O)c1ccc(F)c(I)c1 ZINC000424292538 563375667 /nfs/dbraw/zinc/37/56/67/563375667.db2.gz GYHOZOHPRDQZFI-SNVBAGLBSA-N 1 0 399.269 2.906 20 0 GFADRO Cc1n[nH]cc1CNC(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000299146326 563376129 /nfs/dbraw/zinc/37/61/29/563376129.db2.gz QFXXBTMEOGDVNN-UHFFFAOYSA-N 1 0 394.317 2.754 20 0 GFADRO C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+]C[C@@H]1CCN(C)C(=O)C1 ZINC000424329240 563376179 /nfs/dbraw/zinc/37/61/79/563376179.db2.gz QNBMXRQBFUPNAX-QWHCGFSZSA-N 1 0 382.302 2.624 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C[C@H]3Sc4ccc(Cl)cc4NC3=O)C[C@@H]21 ZINC000374646661 563378548 /nfs/dbraw/zinc/37/85/48/563378548.db2.gz QUPDDWYWCVHOJH-QZDOHJIMSA-N 1 0 379.913 2.729 20 0 GFADRO C[NH+]1CCN(c2ncccc2CNC(=O)c2csc(Br)c2)CC1 ZINC000299249730 563379336 /nfs/dbraw/zinc/37/93/36/563379336.db2.gz BLPSYMBIQAMYCR-UHFFFAOYSA-N 1 0 395.326 2.587 20 0 GFADRO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)Nc1nc(C(F)(F)F)cs1 ZINC000299284002 563380091 /nfs/dbraw/zinc/38/00/91/563380091.db2.gz YOLDVYDCCDINSU-UHFFFAOYSA-N 1 0 379.452 2.652 20 0 GFADRO O=C(NC[C@@H]1CCC[C@@H]1[NH+]1CCOCC1)Nc1ncc(C(F)(F)F)s1 ZINC000374687763 563380119 /nfs/dbraw/zinc/38/01/19/563380119.db2.gz PNCZUQZDWJIWCM-QWRGUYRKSA-N 1 0 378.420 2.784 20 0 GFADRO COc1ncc(C(=O)NC[C@H](c2cccs2)[NH+](C)C)cc1Br ZINC000424548070 563380982 /nfs/dbraw/zinc/38/09/82/563380982.db2.gz TWGGMDKWMQRGJG-GFCCVEGCSA-N 1 0 384.299 2.947 20 0 GFADRO C[C@H](C(F)(F)F)S(=O)(=O)N1CCC2(C[C@@H]2N(C)Cc2nccs2)CC1 ZINC000374731489 563381240 /nfs/dbraw/zinc/38/12/40/563381240.db2.gz BLTXFKCDXQFNAN-NEPJUHHUSA-N 1 0 397.488 2.710 20 0 GFADRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2c[nH]c3ncc(Br)cc23)C1 ZINC000281679153 563383344 /nfs/dbraw/zinc/38/33/44/563383344.db2.gz ULMAFUATPZVECY-XHDPSFHLSA-N 1 0 377.286 2.882 20 0 GFADRO COc1c(Br)ccc(C)c1C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000424704185 563387613 /nfs/dbraw/zinc/38/76/13/563387613.db2.gz LROMJQSONBBJMQ-MRXNPFEDSA-N 1 0 387.343 2.933 20 0 GFADRO Cc1nc(CN2CCC(C[NH2+][C@@H]3CCCC[C@H]3S(C)(=O)=O)CC2)cs1 ZINC000375005433 563387989 /nfs/dbraw/zinc/38/79/89/563387989.db2.gz OLWJWOSTZTWRRI-QZTJIDSGSA-N 1 0 385.599 2.609 20 0 GFADRO CNc1nnc(SCC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)s1 ZINC000299659508 563388689 /nfs/dbraw/zinc/38/86/89/563388689.db2.gz QEFJCXCZYDWOEG-UHFFFAOYSA-N 1 0 395.579 2.859 20 0 GFADRO C[N@@H+]1CC[C@H]2CCN(C(=O)c3cc(=O)[nH]c4c(Br)cccc34)C[C@@H]21 ZINC000375063311 563388832 /nfs/dbraw/zinc/38/88/32/563388832.db2.gz DRVNWNBBGPCBPX-NHYWBVRUSA-N 1 0 390.281 2.869 20 0 GFADRO COc1ncc(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1Br ZINC000424729297 563389194 /nfs/dbraw/zinc/38/91/94/563389194.db2.gz COVOFLJGDNHMEM-MLGOLLRUSA-N 1 0 394.313 2.942 20 0 GFADRO CS[C@H]1CN(C(=O)Cc2noc3ccc(Br)cc32)C[C@H]1[NH+](C)C ZINC000424758763 563390886 /nfs/dbraw/zinc/39/08/86/563390886.db2.gz VNMHLBFZEKTAQE-HIFRSBDPSA-N 1 0 398.326 2.637 20 0 GFADRO O=C(NCc1cnc2n1CCCC2)NC[C@@H](O)c1cccc(Br)c1 ZINC000375202129 563394870 /nfs/dbraw/zinc/39/48/70/563394870.db2.gz VDLVKNZRHKYZNZ-OAHLLOKOSA-N 1 0 393.285 2.515 20 0 GFADRO C[N@H+](Cc1cc(=O)n2nccc2[nH]1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000375352794 563401079 /nfs/dbraw/zinc/40/10/79/563401079.db2.gz MBVOMGQLUDSIAE-CQSZACIVSA-N 1 0 389.253 2.741 20 0 GFADRO COC(=O)[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1c1ccc(Br)cc1 ZINC000425012119 563401179 /nfs/dbraw/zinc/40/11/79/563401179.db2.gz SSFOFCCYQGGVCO-JKSUJKDBSA-N 1 0 397.313 2.504 20 0 GFADRO COc1ccc(C[NH2+][C@@H]2CCC(=O)N[C@H]2C2CC2)c(Br)c1OC ZINC000375374598 563401902 /nfs/dbraw/zinc/40/19/02/563401902.db2.gz YTRZHQQRYAMNET-WBMJQRKESA-N 1 0 383.286 2.613 20 0 GFADRO CN(CC[NH+](C)C)c1ccc(Br)cc1NC(=O)[C@@H]1C[C@]12CCOC2 ZINC000425098888 563404564 /nfs/dbraw/zinc/40/45/64/563404564.db2.gz MWYCAMRHNBPZGY-KSSFIOAISA-N 1 0 396.329 2.812 20 0 GFADRO CN(CC[NH+](C)C)c1ccc(Br)cc1NC(=O)CCc1c[nH]cn1 ZINC000425096459 563404632 /nfs/dbraw/zinc/40/46/32/563404632.db2.gz DXVFYZMLXYTFCJ-UHFFFAOYSA-N 1 0 394.317 2.741 20 0 GFADRO CC[NH+]1CCC(NS(=O)(=O)c2c(Cl)cccc2Br)CC1 ZINC000282286770 563405064 /nfs/dbraw/zinc/40/50/64/563405064.db2.gz VQVBGSYZBIQYOE-UHFFFAOYSA-N 1 0 381.723 2.865 20 0 GFADRO Cc1cnn(C)c1C(=O)Nc1cc(Br)ccc1N(C)CC[NH+](C)C ZINC000425101115 563405082 /nfs/dbraw/zinc/40/50/82/563405082.db2.gz XVPKKWCWPSMEKT-UHFFFAOYSA-N 1 0 394.317 2.741 20 0 GFADRO CC(C)(C)NC(=O)C[NH+]1CCC(CNc2ccc(Br)cn2)CC1 ZINC000301522333 563405817 /nfs/dbraw/zinc/40/58/17/563405817.db2.gz GGWZXXFJXPEPRR-UHFFFAOYSA-N 1 0 383.334 2.883 20 0 GFADRO NC(=O)c1cnn2c1C[C@H](C[NH2+][C@@H]1CCc3ccc(Br)cc31)CC2 ZINC000282310078 563406447 /nfs/dbraw/zinc/40/64/47/563406447.db2.gz DLVGIBJJPKEDLI-BDJLRTHQSA-N 1 0 389.297 2.584 20 0 GFADRO C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+]CC1([S@@](C)=O)CC1 ZINC000282345307 563407869 /nfs/dbraw/zinc/40/78/69/563407869.db2.gz OZSZIUPTLQUCBR-SSINHNECSA-N 1 0 378.416 2.803 20 0 GFADRO C[N@@H+]1C[C@@H]2CCCN(S(=O)(=O)c3cccc(Br)c3Cl)[C@@H]2C1 ZINC000425214346 563412029 /nfs/dbraw/zinc/41/20/29/563412029.db2.gz JBTAZGHIZOCQDM-CMPLNLGQSA-N 1 0 393.734 2.817 20 0 GFADRO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000301837899 563413284 /nfs/dbraw/zinc/41/32/84/563413284.db2.gz YNJBUJSFAXOWPA-CYBMUJFWSA-N 1 0 376.810 2.672 20 0 GFADRO COc1cc2[nH+]ccc(N[C@@H]3CC(=O)N(C4CC4)C3)c2cc1Br ZINC000425227314 563413392 /nfs/dbraw/zinc/41/33/92/563413392.db2.gz IXMFOHYORJHREE-SNVBAGLBSA-N 1 0 376.254 2.603 20 0 GFADRO O=C1NC(=O)C2(CCC([NH2+]Cc3cc(C(F)(F)F)ccc3Cl)CC2)N1 ZINC000375737799 563416216 /nfs/dbraw/zinc/41/62/16/563416216.db2.gz GFYKCBBRRDDEFU-UHFFFAOYSA-N 1 0 375.778 2.969 20 0 GFADRO COCCCn1nccc1C[NH2+]Cc1cc2c(c(Br)c1)OCO2 ZINC000282561010 563416291 /nfs/dbraw/zinc/41/62/91/563416291.db2.gz DKGQIRWKHWYXAT-UHFFFAOYSA-N 1 0 382.258 2.701 20 0 GFADRO CCOc1cccc(C[NH2+]C[C@@H]2CCN(S(=O)(=O)c3cccs3)C2)c1 ZINC000375751534 563417076 /nfs/dbraw/zinc/41/70/76/563417076.db2.gz TWQKCSPWDXNQNM-INIZCTEOSA-N 1 0 380.535 2.947 20 0 GFADRO CS[C@@H]1CC[C@@H]1[NH2+]C[C@@H](O)COc1ccc(I)cc1 ZINC000425337945 563418530 /nfs/dbraw/zinc/41/85/30/563418530.db2.gz ANTWICALRSKRCJ-KWCYVHTRSA-N 1 0 393.290 2.515 20 0 GFADRO COC(=O)[C@@H]1C[N@H+](Cc2cc(C)nn2C)C[C@H]1c1ccc(Br)cc1 ZINC000425353432 563418852 /nfs/dbraw/zinc/41/88/52/563418852.db2.gz ZJIXZWIPVHKDIK-DLBZAZTESA-N 1 0 392.297 2.880 20 0 GFADRO O=C(C[NH2+][C@@H]1CCC(=O)NC12CCC2)Nc1nc(-c2cccs2)cs1 ZINC000282642642 563419222 /nfs/dbraw/zinc/41/92/22/563419222.db2.gz AATUQNUFOWBRTL-CYBMUJFWSA-N 1 0 376.507 2.601 20 0 GFADRO CS[C@H]1CC[C@H]1[NH2+]CC(=O)Nc1ccc(I)cc1 ZINC000425388676 563419780 /nfs/dbraw/zinc/41/97/80/563419780.db2.gz WMTNDUWREDDVRB-NEPJUHHUSA-N 1 0 376.263 2.713 20 0 GFADRO CS[C@@H]1CC[C@@H]1[NH2+]CCNS(=O)(=O)c1cc(C)ccc1Br ZINC000425389178 563420001 /nfs/dbraw/zinc/42/00/01/563420001.db2.gz XKFVCJKASCOMLN-QWHCGFSZSA-N 1 0 393.372 2.519 20 0 GFADRO C[NH+](C)[C@H]1CCCN(S(=O)(=O)c2cccc(Br)c2F)CC1 ZINC000282664434 563420199 /nfs/dbraw/zinc/42/01/99/563420199.db2.gz QDUJTWKTETXHFU-NSHDSACASA-N 1 0 379.295 2.693 20 0 GFADRO COCCn1cc(C[NH2+][C@@H](C)CC(=O)Nc2cccc(Br)c2)cn1 ZINC000282673197 563420535 /nfs/dbraw/zinc/42/05/35/563420535.db2.gz JFYBJTKRICAUSJ-ZDUSSCGKSA-N 1 0 395.301 2.799 20 0 GFADRO CN(C)S(=O)(=O)c1ccc(CN2CC[NH+](CC3CCCCC3)CC2)s1 ZINC000425393683 563421029 /nfs/dbraw/zinc/42/10/29/563421029.db2.gz CZNHNRYGPCAQMZ-UHFFFAOYSA-N 1 0 385.599 2.696 20 0 GFADRO CCOc1cc(C[N@H+](CC)CCOCCO)cc(Br)c1OC ZINC000282776544 563424352 /nfs/dbraw/zinc/42/43/52/563424352.db2.gz PZMBNNPQLWXFPN-UHFFFAOYSA-N 1 0 376.291 2.687 20 0 GFADRO COC(=O)[C@@H]1C[N@H+](CC2(C(=O)OC)CC2)C[C@H]1c1ccc(Br)cc1 ZINC000425508861 563425405 /nfs/dbraw/zinc/42/54/05/563425405.db2.gz IRSGMKKDKGCCNZ-LSDHHAIUSA-N 1 0 396.281 2.591 20 0 GFADRO CCc1ncsc1NC(=O)C(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000282807586 563425738 /nfs/dbraw/zinc/42/57/38/563425738.db2.gz NZFAMDHZTVYJAD-AWEZNQCLSA-N 1 0 380.901 2.717 20 0 GFADRO O=C(c1n[nH]c2ccc(Br)cc21)N1CCC[C@H]2C[NH2+]CCC[C@@H]21 ZINC000376023387 563427029 /nfs/dbraw/zinc/42/70/29/563427029.db2.gz XRTPPTBQNTVSAC-NHYWBVRUSA-N 1 0 377.286 2.930 20 0 GFADRO O=C(N1CC[C@H](C[NH+]2CCCC2)C1)C1(c2cncc(Br)c2)CC1 ZINC000282850807 563427113 /nfs/dbraw/zinc/42/71/13/563427113.db2.gz TWWUCQMHJHLRAO-CQSZACIVSA-N 1 0 378.314 2.820 20 0 GFADRO C[C@H](C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1)[N@@H+]1CCC[C@H](C)C1 ZINC000302801235 563430641 /nfs/dbraw/zinc/43/06/41/563430641.db2.gz YHFFNYAXVVVRTA-QWHCGFSZSA-N 1 0 387.933 2.649 20 0 GFADRO C[N@@H+]1CCC[C@H](N2CCN(c3nc(C(Cl)(Cl)Cl)ns3)CC2)C1 ZINC000376173049 563432005 /nfs/dbraw/zinc/43/20/05/563432005.db2.gz NGDMORDOSHMEKT-JTQLQIEISA-N 1 0 384.764 2.581 20 0 GFADRO COCC[NH+]1CCN(Cc2cc(Br)ccc2OC(F)F)CC1 ZINC000302917454 563432413 /nfs/dbraw/zinc/43/24/13/563432413.db2.gz QLACSAXYHKCLAK-UHFFFAOYSA-N 1 0 379.245 2.815 20 0 GFADRO COC(=O)C[C@H](NC(=O)C[C@H]1CCC[NH2+]CC1)c1ccc(Br)cc1 ZINC000376333668 563437856 /nfs/dbraw/zinc/43/78/56/563437856.db2.gz NSKNGJWYPNBJNK-BBRMVZONSA-N 1 0 397.313 2.949 20 0 GFADRO O=S(=O)(c1ccc(F)cc1Br)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000314768508 563439071 /nfs/dbraw/zinc/43/90/71/563439071.db2.gz RUTAAIGOPJEMBY-BXUZGUMPSA-N 1 0 391.306 2.741 20 0 GFADRO Cc1nc(NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cnn(C)c2)ccc1Br ZINC000376357285 563439294 /nfs/dbraw/zinc/43/92/94/563439294.db2.gz XKRFFOVCELSFSH-GUYCJALGSA-N 1 0 378.318 3.381 20 0 GFADRO CCOc1ccc(Br)cc1S(=O)(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000315121063 563439971 /nfs/dbraw/zinc/43/99/71/563439971.db2.gz NNLIMZGJHFFKMH-NWDGAFQWSA-N 1 0 391.331 2.514 20 0 GFADRO CCS(=O)(=O)c1ccc(Cl)c(C(=O)N2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)c1 ZINC000376409818 563441049 /nfs/dbraw/zinc/44/10/49/563441049.db2.gz ALUQOKSKWKJZTO-SUMWQHHRSA-N 1 0 384.929 2.832 20 0 GFADRO O=S(=O)(c1ccc(Br)cc1F)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000317323558 563442586 /nfs/dbraw/zinc/44/25/86/563442586.db2.gz JOOSUSNZDXRTOW-RISCZKNCSA-N 1 0 391.306 2.741 20 0 GFADRO Cc1nn(C)c(C[NH2+][C@H]2CC[C@@H](C(=O)N3CCCCC3)C2)c1Br ZINC000376446677 563442617 /nfs/dbraw/zinc/44/26/17/563442617.db2.gz HMMIQMZHINIMFH-KGLIPLIRSA-N 1 0 383.334 2.762 20 0 GFADRO OC[C@H]1CCC[N@@H+]1C[C@H]1CCCN1c1nc(C(Cl)(Cl)Cl)ns1 ZINC000376459539 563443299 /nfs/dbraw/zinc/44/32/99/563443299.db2.gz FWOOLFUYDAVOGP-NXEZZACHSA-N 1 0 385.748 2.790 20 0 GFADRO C[NH+](C)C[C@](C)(O)CNCc1ccc(OC(F)(F)F)c(Br)c1 ZINC000318567031 563443744 /nfs/dbraw/zinc/44/37/44/563443744.db2.gz DQMMRBJVVGMLFW-CYBMUJFWSA-N 1 0 385.224 2.750 20 0 GFADRO O=C(NCC(F)(F)F)[C@H]1CC[N@H+](CCOc2cccc(Br)c2)C1 ZINC000426117513 563444034 /nfs/dbraw/zinc/44/40/34/563444034.db2.gz WHOHHFRQNZAWKG-NSHDSACASA-N 1 0 395.219 2.828 20 0 GFADRO CC(C)n1cc(Br)cc1C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000376518412 563444626 /nfs/dbraw/zinc/44/46/26/563444626.db2.gz HXIRTZITCUOFBH-MRXNPFEDSA-N 1 0 397.361 2.684 20 0 GFADRO Cc1cc(S(=O)(=O)N2CCC3(CC[NH2+]CC3)CC2)ccc1Br ZINC000319642946 563445766 /nfs/dbraw/zinc/44/57/66/563445766.db2.gz OMNYLMYNIQGBCI-UHFFFAOYSA-N 1 0 387.343 2.912 20 0 GFADRO [NH3+]C[C@@H]1CCCC[C@]12NC(=O)N(Cc1cc(F)ccc1Br)C2=O ZINC000321370048 563447750 /nfs/dbraw/zinc/44/77/50/563447750.db2.gz ZEJWUAHHGGXWLQ-ZBEGNZNMSA-N 1 0 384.249 2.528 20 0 GFADRO [NH3+]C[C@H]1CCCC[C@@]12NC(=O)N(Cc1cc(F)cc(Br)c1)C2=O ZINC000321356973 563448018 /nfs/dbraw/zinc/44/80/18/563448018.db2.gz XXUBVBUYBIXZNA-BDJLRTHQSA-N 1 0 384.249 2.528 20 0 GFADRO COCC1(CNC(=O)CCCc2ccc(Br)s2)CC[NH2+]CC1 ZINC000283753910 563453341 /nfs/dbraw/zinc/45/33/41/563453341.db2.gz ALGZVPRZIWOINI-UHFFFAOYSA-N 1 0 389.359 2.966 20 0 GFADRO O=C1C[C@@H]([N@@H+]2CC[C@]3(C2)CCCOC3)C(=O)N1c1ccc(Br)cc1 ZINC000376757984 563453456 /nfs/dbraw/zinc/45/34/56/563453456.db2.gz KDLCVXMRZDYWAM-QAPCUYQASA-N 1 0 393.281 2.584 20 0 GFADRO COc1ccc(Br)cc1C(=O)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000326488657 563454988 /nfs/dbraw/zinc/45/49/88/563454988.db2.gz FMVIEOVIKNZWHS-HNNXBMFYSA-N 1 0 397.313 2.785 20 0 GFADRO O=S(=O)(c1cccc(OC(F)(F)F)c1)N1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000327774732 563459505 /nfs/dbraw/zinc/45/95/05/563459505.db2.gz WVNHOBHLEDLIQZ-HUUCEWRRSA-N 1 0 378.416 2.880 20 0 GFADRO Cc1cc(Br)cn2c(C[NH2+][C@H](CO)C[C@H](O)C(C)(C)C)cnc12 ZINC000283960171 563460325 /nfs/dbraw/zinc/46/03/25/563460325.db2.gz KOUGJBZUINAXFH-ZFWWWQNUSA-N 1 0 384.318 2.653 20 0 GFADRO CCS(=O)(=O)c1ccc([C@@H](C)[NH2+]C[C@@H](O)COCc2cccs2)cc1 ZINC000283993033 563461053 /nfs/dbraw/zinc/46/10/53/563461053.db2.gz DFLMBCPIYRJJNM-GDBMZVCRSA-N 1 0 383.535 2.770 20 0 GFADRO O=C(c1ccncc1Br)N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000427179073 563461301 /nfs/dbraw/zinc/46/13/01/563461301.db2.gz OSXCCFBCHKBJMG-CQSZACIVSA-N 1 0 382.302 2.561 20 0 GFADRO O=C(NCCC1(O)CCOCC1)C1CC[NH+](Cc2ccc(Cl)s2)CC1 ZINC000377079131 563462675 /nfs/dbraw/zinc/46/26/75/563462675.db2.gz BDYKSCCNIOJDGT-UHFFFAOYSA-N 1 0 386.945 2.661 20 0 GFADRO CC(C)[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000328741679 563464000 /nfs/dbraw/zinc/46/40/00/563464000.db2.gz NOTOLOQOAYQJAX-DVOMOZLQSA-N 1 0 383.945 2.851 20 0 GFADRO CN1CC[C@@H](NS(=O)(=O)c2cncc(F)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000328825939 563465958 /nfs/dbraw/zinc/46/59/58/563465958.db2.gz JDEVRCLGWLREQQ-HZPDHXFCSA-N 1 0 387.839 2.737 20 0 GFADRO Cc1nc(C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)nn1-c1c(Cl)cccc1Cl ZINC000328953078 563469181 /nfs/dbraw/zinc/46/91/81/563469181.db2.gz XXIGZWOJHSZKMG-LLVKDONJSA-N 1 0 380.279 2.849 20 0 GFADRO O=C(CC[N@@H+]1CCC[C@H](N2CCNC2=O)C1)Nc1cc(Cl)ccc1Cl ZINC000377359518 563472463 /nfs/dbraw/zinc/47/24/63/563472463.db2.gz TZVLSONXXFZQLJ-ZDUSSCGKSA-N 1 0 385.295 2.812 20 0 GFADRO O[C@H](COc1c(Cl)cccc1Cl)CN1CCOC[C@@H]1[C@H]1CCCO1 ZINC000329076707 563472539 /nfs/dbraw/zinc/47/25/39/563472539.db2.gz QAWPFVSCUKWWCB-APHBMKBZSA-N 1 0 376.280 2.613 20 0 GFADRO C[NH+](C)C[C@H]1CCCN1C(=O)c1ccc(I)c(F)c1 ZINC000427735392 563472737 /nfs/dbraw/zinc/47/27/37/563472737.db2.gz QSFXFPAAPUIWTI-LLVKDONJSA-N 1 0 376.213 2.597 20 0 GFADRO Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH2+][C@@H]1CCCS(=O)(=O)C1 ZINC000329186616 563474667 /nfs/dbraw/zinc/47/46/67/563474667.db2.gz AUVIRKDRDTVCGJ-MRXNPFEDSA-N 1 0 381.929 2.868 20 0 GFADRO COC(=O)c1ccc(CN2CCS[C@H]3COCC[C@@H]32)c(Br)c1 ZINC000284457278 563475728 /nfs/dbraw/zinc/47/57/28/563475728.db2.gz UTNBXBNXYRURQO-GJZGRUSLSA-N 1 0 386.311 2.942 20 0 GFADRO CC[NH+]1CCN([C@@H]2CCN(Cc3cccc(I)c3)C2)CC1 ZINC000284472261 563476321 /nfs/dbraw/zinc/47/63/21/563476321.db2.gz VXDHJDUUARBILY-QGZVFWFLSA-N 1 0 399.320 2.503 20 0 GFADRO COC(=O)c1ccc(CN2CCC([N@H+](C)CCCO)CC2)c(Br)c1 ZINC000284487752 563477256 /nfs/dbraw/zinc/47/72/56/563477256.db2.gz WWTJIUPPCNMATD-UHFFFAOYSA-N 1 0 399.329 2.514 20 0 GFADRO CC[NH+](CC)[C@H](CNC(=O)C(=O)NCC1CCSCC1)c1ccsc1 ZINC000284558793 563479905 /nfs/dbraw/zinc/47/99/05/563479905.db2.gz MKDSVKURRSZUIV-MRXNPFEDSA-N 1 0 383.583 2.507 20 0 GFADRO CN(C(=O)c1sccc1Br)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000377637255 563481911 /nfs/dbraw/zinc/48/19/11/563481911.db2.gz PQDJWLMPUQVEEQ-CYBMUJFWSA-N 1 0 386.359 2.751 20 0 GFADRO Cc1nn(C)c(C)c1C[C@@H](C)[NH2+][C@H](C)Cn1cc(Br)ccc1=O ZINC000428218561 563485228 /nfs/dbraw/zinc/48/52/28/563485228.db2.gz MPCJXXWDOFAPGU-VXGBXAGGSA-N 1 0 381.318 2.570 20 0 GFADRO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@@H](CCO)c1ccccc1 ZINC000428242288 563486189 /nfs/dbraw/zinc/48/61/89/563486189.db2.gz SGISUMRKBYUYFP-GOEBONIOSA-N 1 0 379.298 2.755 20 0 GFADRO Cc1ncc(S(=O)(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)s1 ZINC000377772259 563486143 /nfs/dbraw/zinc/48/61/43/563486143.db2.gz WONNCARNSWPCLX-IRXDYDNUSA-N 1 0 377.535 2.594 20 0 GFADRO CC(C)n1cc(S(=O)(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)cn1 ZINC000329755427 563487622 /nfs/dbraw/zinc/48/76/22/563487622.db2.gz YBEPEBRUJWJRHR-YOEHRIQHSA-N 1 0 382.555 2.887 20 0 GFADRO CCCOc1c(Br)cc(C[N@@H+]2CC[C@@H](CC(N)=O)C2)cc1OC ZINC000377847004 563488435 /nfs/dbraw/zinc/48/84/35/563488435.db2.gz IHZUFGMHPVGJAG-LBPRGKRZSA-N 1 0 385.302 2.944 20 0 GFADRO C[S@@](=O)c1ccc(NC(=O)NC2CCN(Cc3cscn3)CC2)cc1 ZINC000377944008 563491578 /nfs/dbraw/zinc/49/15/78/563491578.db2.gz IMIXJDVILOAMDI-RUZDIDTESA-N 1 0 378.523 2.667 20 0 GFADRO COc1ccc2c(c1)OC[C@H]([NH2+][C@@H](C)Cn1cc(Br)ccc1=O)C2 ZINC000428463212 563492858 /nfs/dbraw/zinc/49/28/58/563492858.db2.gz PBZSSUNLPXZSLE-SWLSCSKDSA-N 1 0 393.281 2.601 20 0 GFADRO COc1cc(C[N@@H+]2CC[C@H](C(=O)NCC(F)(F)F)C2)cc(Cl)c1OC ZINC000428487334 563493844 /nfs/dbraw/zinc/49/38/44/563493844.db2.gz SNPDZDVMRXLZRP-NSHDSACASA-N 1 0 380.794 2.858 20 0 GFADRO C[NH+](C)[C@@H]1CCN(c2ccc(NC(=O)C(=O)c3ccc(Cl)s3)nc2)C1 ZINC000428522548 563495017 /nfs/dbraw/zinc/49/50/17/563495017.db2.gz ZWOLKXDBDMEOFQ-GFCCVEGCSA-N 1 0 378.885 2.758 20 0 GFADRO C[C@H]([NH2+][C@@H](c1cncc(Br)c1)C1CC1)C(=O)NC(=O)NC(C)(C)C ZINC000284921948 563495431 /nfs/dbraw/zinc/49/54/31/563495431.db2.gz VURRWCLBAFSLPN-IINYFYTJSA-N 1 0 397.317 2.898 20 0 GFADRO C[NH+]1CCC(N(Cc2ccccc2Br)C(=O)[C@H]2CCOC2)CC1 ZINC000378068467 563495621 /nfs/dbraw/zinc/49/56/21/563495621.db2.gz GGJGNALTOWIBIO-HNNXBMFYSA-N 1 0 381.314 2.908 20 0 GFADRO CC[C@@H](C(=O)N[C@H](C)c1ccc(Br)cc1OCCCO)[NH+](C)C ZINC000428589957 563496917 /nfs/dbraw/zinc/49/69/17/563496917.db2.gz NOUHWRIGPZBLSA-DOMZBBRYSA-N 1 0 387.318 2.728 20 0 GFADRO O=S(=O)(Cc1cccc(C(F)(F)F)c1)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000378227431 563499783 /nfs/dbraw/zinc/49/97/83/563499783.db2.gz MUSNELHORLIAFO-HOCLYGCPSA-N 1 0 376.444 2.999 20 0 GFADRO CC[N@@H+]1CCCN(C(=O)NC[C@H](C)Oc2ccc(Br)cc2)CC1 ZINC000428702634 563499902 /nfs/dbraw/zinc/49/99/02/563499902.db2.gz SDVGNVQCWAZEJT-AWEZNQCLSA-N 1 0 384.318 2.954 20 0 GFADRO CC[N@@H+]1CCCN(C(=O)NC[C@H](C)Oc2cccc(Br)c2)CC1 ZINC000428698603 563500193 /nfs/dbraw/zinc/50/01/93/563500193.db2.gz FFSVFGIVTXPYGR-AWEZNQCLSA-N 1 0 384.318 2.954 20 0 GFADRO O=C(NCCCN1CC[NH2+]CC1)c1cc(Br)cc2ccccc21 ZINC000428779793 563501123 /nfs/dbraw/zinc/50/11/23/563501123.db2.gz DEVKCQHIOQCIEA-UHFFFAOYSA-N 1 0 376.298 2.627 20 0 GFADRO C[C@H]1CN(C(=O)c2ccccc2Br)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000378317692 563502561 /nfs/dbraw/zinc/50/25/61/563502561.db2.gz PFQQUFZXMZRSQJ-YOEHRIQHSA-N 1 0 380.330 2.547 20 0 GFADRO Cn1cc([C@@H](O)C[C@H]2CCC[N@@H+]2Cc2cc(O)ccc2Br)cn1 ZINC000378382541 563505145 /nfs/dbraw/zinc/50/51/45/563505145.db2.gz ZHURHUITWUEPAX-PBHICJAKSA-N 1 0 380.286 2.976 20 0 GFADRO O=C(NC1CC[NH+](CC2(O)CCCCC2)CC1)c1cccc(Br)n1 ZINC000378396033 563505314 /nfs/dbraw/zinc/50/53/14/563505314.db2.gz NGEDLEQOPQKECW-UHFFFAOYSA-N 1 0 396.329 2.734 20 0 GFADRO C[C@@H]1C[C@H]1[N@@H+]1CCN(C[C@H](O)COc2cccc(Br)c2)C[C@@H](C)C1 ZINC000429018442 563507506 /nfs/dbraw/zinc/50/75/06/563507506.db2.gz HLCCLVUENWYULN-IIHSZXCVSA-N 1 0 397.357 2.851 20 0 GFADRO C[C@@H]1C[C@H]1[N@@H+]1CCN([C@H](C(N)=O)c2cccc(Br)c2)C[C@@H](C)C1 ZINC000429023364 563507670 /nfs/dbraw/zinc/50/76/70/563507670.db2.gz UOLMDHKNASVIBQ-IXKJSCDLSA-N 1 0 380.330 2.638 20 0 GFADRO Cc1ccccc1OC[C@@H](O)C[NH2+][C@H](CO)c1ccc(Br)c(F)c1 ZINC000429017144 563507964 /nfs/dbraw/zinc/50/79/64/563507964.db2.gz CIVREDGYQZDPKL-WMLDXEAASA-N 1 0 398.272 2.960 20 0 GFADRO O=C(COc1cc(Cl)cc(Cl)c1)Nc1ccc(N2CC[NH2+]CC2)cn1 ZINC000429026335 563508781 /nfs/dbraw/zinc/50/87/81/563508781.db2.gz DNUGNNYGASPNNF-UHFFFAOYSA-N 1 0 381.263 2.816 20 0 GFADRO C[C@@H]1C[C@H]1[N@@H+]1CCN([C@H](C(N)=O)c2ccc(Br)cc2F)C[C@@H](C)C1 ZINC000429026901 563508796 /nfs/dbraw/zinc/50/87/96/563508796.db2.gz ALHAKYNMEZXKLS-SONRMIBWSA-N 1 0 398.320 2.777 20 0 GFADRO CC[NH+]1CCN([C@H](C)CNS(=O)(=O)c2cc(C(C)C)ccc2Cl)CC1 ZINC000330529390 563509748 /nfs/dbraw/zinc/50/97/48/563509748.db2.gz RXXQMAOLSNAQON-OAHLLOKOSA-N 1 0 387.977 2.768 20 0 GFADRO O=C(CSCc1ccc(Br)cc1F)NCC[C@@H]1CC[NH2+]C1 ZINC000429109479 563509958 /nfs/dbraw/zinc/50/99/58/563509958.db2.gz LSUWELLLICYTEY-NSHDSACASA-N 1 0 375.307 2.937 20 0 GFADRO CN(C[C@@H]1CCC[N@H+](Cc2ccc(OC(F)(F)F)cc2)C1)S(C)(=O)=O ZINC000285236507 563510288 /nfs/dbraw/zinc/51/02/88/563510288.db2.gz BMGJFJFQOZHQCZ-AWEZNQCLSA-N 1 0 380.432 2.689 20 0 GFADRO CC(=O)c1cc(Br)ccc1OCC(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000285237320 563510558 /nfs/dbraw/zinc/51/05/58/563510558.db2.gz YQEDMOSVKXUUDS-CYBMUJFWSA-N 1 0 395.297 2.631 20 0 GFADRO CC(C)C[C@@](C)(C[NH3+])NC(=O)c1cc(F)ccc1I ZINC000429194963 563511867 /nfs/dbraw/zinc/51/18/67/563511867.db2.gz TWSSUEZPGLYPSG-AWEZNQCLSA-N 1 0 378.229 2.924 20 0 GFADRO O=C(Nc1cc(Br)ccn1)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000285283187 563512645 /nfs/dbraw/zinc/51/26/45/563512645.db2.gz QPYNQUFJPSULCW-HUUCEWRRSA-N 1 0 397.317 2.734 20 0 GFADRO CS(=O)(=O)N[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc(Br)ccc1F ZINC000330609186 563513225 /nfs/dbraw/zinc/51/32/25/563513225.db2.gz NMSLQKREUSBBQK-UONOGXRCSA-N 1 0 379.295 2.538 20 0 GFADRO CN1CCN(C(=O)CC[NH2+][C@@H]2c3cccc(Br)c3CC2(C)C)CC1 ZINC000429373082 563515608 /nfs/dbraw/zinc/51/56/08/563515608.db2.gz QEXFSYPKYDIYAH-GOSISDBHSA-N 1 0 394.357 2.826 20 0 GFADRO C[C@H]1CN([C@@H](C(N)=O)c2cccc(Br)c2)CC[N@@H+](C2CCC2)C1 ZINC000429411780 563516309 /nfs/dbraw/zinc/51/63/09/563516309.db2.gz WSYQTBUUCVZMHC-CXAGYDPISA-N 1 0 380.330 2.782 20 0 GFADRO C[C@@H]1CC[N@H+](C[C@H](O)COc2ccc(Cl)cc2Br)C[C@@H]1O ZINC000330668324 563516963 /nfs/dbraw/zinc/51/69/63/563516963.db2.gz XWTPWFDBCGRKAM-OSMZGAPFSA-N 1 0 378.694 2.545 20 0 GFADRO C[C@H](Nc1cnn(C)c(=O)c1Br)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000383526294 563517194 /nfs/dbraw/zinc/51/71/94/563517194.db2.gz PMRPBCDCTYBEJJ-DZGCQCFKSA-N 1 0 391.313 2.865 20 0 GFADRO COc1ccc(Br)c(C(=O)NCCC[NH2+][C@@H](C)c2cn[nH]c2)c1 ZINC000285394049 563518947 /nfs/dbraw/zinc/51/89/47/563518947.db2.gz WVUKPIFAPAESIW-NSHDSACASA-N 1 0 381.274 2.652 20 0 GFADRO CCOc1ccc(Br)cc1S(=O)(=O)N1CCCC[C@H]1CC[NH3+] ZINC000387144331 563519434 /nfs/dbraw/zinc/51/94/34/563519434.db2.gz DSWPTLYVDHBBKC-ZDUSSCGKSA-N 1 0 391.331 2.740 20 0 GFADRO COc1cc(OC)c(NC(=O)NCC2=CC[N@H+](C)CC2)cc1Br ZINC000429625543 563519663 /nfs/dbraw/zinc/51/96/63/563519663.db2.gz CUJBLZJOGPHJLA-UHFFFAOYSA-N 1 0 384.274 2.850 20 0 GFADRO C[C@@H]([NH2+]C[C@@H](CO)Cc1cccc(Br)c1)C(C)(C)n1cncn1 ZINC000285449703 563521637 /nfs/dbraw/zinc/52/16/37/563521637.db2.gz ZKVDKYKAJNMKHI-HIFRSBDPSA-N 1 0 381.318 2.605 20 0 GFADRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)c1cc(Br)ccc1Br ZINC000389738176 563522243 /nfs/dbraw/zinc/52/22/43/563522243.db2.gz WQDLKEKHTFHULI-PRHODGIISA-N 1 0 376.092 2.939 20 0 GFADRO CCC[N@@H+]1CC[C@H](NS(=O)(=O)c2c(Cl)cccc2Br)C1 ZINC000389969535 563522926 /nfs/dbraw/zinc/52/29/26/563522926.db2.gz HIOPQFGRALNVDF-JTQLQIEISA-N 1 0 381.723 2.865 20 0 GFADRO CC[NH+](CC)CCN(Cc1ccccc1)S(=O)(=O)c1c(Cl)cnn1C ZINC000429828024 563524135 /nfs/dbraw/zinc/52/41/35/563524135.db2.gz NNCHIGUOVQIZNI-UHFFFAOYSA-N 1 0 384.933 2.606 20 0 GFADRO Cc1cc(NC(=O)C(=O)N2CCC[C@@H]([NH+](C)C)CC2)cc(C)c1Br ZINC000429838471 563524727 /nfs/dbraw/zinc/52/47/27/563524727.db2.gz HIEWMFKSEUYWKV-OAHLLOKOSA-N 1 0 396.329 2.947 20 0 GFADRO CC[NH+](CC)CCCC1CCN(S(=O)(=O)c2c(Cl)cnn2C)CC1 ZINC000429875607 563527475 /nfs/dbraw/zinc/52/74/75/563527475.db2.gz FOMIKTMUHDMFNN-UHFFFAOYSA-N 1 0 376.954 2.596 20 0 GFADRO C[NH+](C)CC[C@](C)(O)CNC(=O)C1(c2ccc(Br)cc2)CCC1 ZINC000429901280 563527818 /nfs/dbraw/zinc/52/78/18/563527818.db2.gz ISJMWJVGQPUIFS-KRWDZBQOSA-N 1 0 383.330 2.690 20 0 GFADRO C[NH+](C)CC1CN(C(=O)c2cc(Cl)ccc2I)C1 ZINC000394433828 563530427 /nfs/dbraw/zinc/53/04/27/563530427.db2.gz XYWWULYTZOQQAL-UHFFFAOYSA-N 1 0 378.641 2.578 20 0 GFADRO Cc1oc(Br)cc1C(=O)NC[C@H]1CN(Cc2ccccc2)CCO1 ZINC000396748908 563531217 /nfs/dbraw/zinc/53/12/17/563531217.db2.gz RLBRFWUVUTUAOB-HNNXBMFYSA-N 1 0 393.281 2.981 20 0 GFADRO C[C@H](NC(=O)CN1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C)c1ccc(Br)cc1 ZINC000397308392 563531835 /nfs/dbraw/zinc/53/18/35/563531835.db2.gz HVBVPXFEHCIHPD-YXWQFLTLSA-N 1 0 382.346 2.932 20 0 GFADRO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC[C@@H](CO)Cc1ccccc1Br ZINC000430152559 563536708 /nfs/dbraw/zinc/53/67/08/563536708.db2.gz DULRHKQXEGVGQU-KFWWJZLASA-N 1 0 383.330 2.589 20 0 GFADRO C[NH+](C)C[C@H]1CCCCN1S(=O)(=O)c1ccc(Br)c(F)c1 ZINC000405106527 563537638 /nfs/dbraw/zinc/53/76/38/563537638.db2.gz YWQSNQDBYJGYSA-LLVKDONJSA-N 1 0 379.295 2.693 20 0 GFADRO CNC(=O)C(C)(C)C[NH2+]Cc1cc(Cl)ccc1I ZINC000405817249 563539369 /nfs/dbraw/zinc/53/93/69/563539369.db2.gz VWVYLHABOTXXPG-UHFFFAOYSA-N 1 0 380.657 2.806 20 0 GFADRO CCCS(=O)(=O)Nc1cc(NC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)c(F)cc1F ZINC000430231235 563539421 /nfs/dbraw/zinc/53/94/21/563539421.db2.gz XRYGHHRBMSCBSK-GHMZBOCLSA-N 1 0 375.441 2.573 20 0 GFADRO CCO[C@@H]1CN(CC(=O)Nc2cc(Cl)c(Cl)cc2Cl)C[C@H]1C[NH3+] ZINC000405383585 563539888 /nfs/dbraw/zinc/53/98/88/563539888.db2.gz ONFMUXJQKFFVKW-YMTOWFKASA-N 1 0 380.703 2.881 20 0 GFADRO CC[NH+](CC)CC1CCN(S(=O)(=O)c2ccc(Br)cn2)CC1 ZINC000331256816 563542235 /nfs/dbraw/zinc/54/22/35/563542235.db2.gz BWYKYDZSYILJEY-UHFFFAOYSA-N 1 0 390.347 2.587 20 0 GFADRO Cc1cc(Br)c(S(=O)(=O)NC[C@@H]2[NH2+]CCCC2(C)C)s1 ZINC000430383467 563543048 /nfs/dbraw/zinc/54/30/48/563543048.db2.gz CUQHIISFPJQYPC-NSHDSACASA-N 1 0 381.361 2.876 20 0 GFADRO C[NH+](C)CCCC1CCN(S(=O)(=O)c2cnccc2C(F)(F)F)CC1 ZINC000331268834 563542898 /nfs/dbraw/zinc/54/28/98/563542898.db2.gz JLVHYPJMJNTYDP-UHFFFAOYSA-N 1 0 379.448 2.843 20 0 GFADRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)c1cnccc1C(F)(F)F ZINC000331292957 563544170 /nfs/dbraw/zinc/54/41/70/563544170.db2.gz XJRPDTAKAMLCQD-FRRDWIJNSA-N 1 0 379.448 2.745 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CCCN(Cc2nc(Cc3cccc(Br)c3)no2)C1 ZINC000430550487 563544991 /nfs/dbraw/zinc/54/49/91/563544991.db2.gz GLMDDCCZDCZRSB-TZMCWYRMSA-N 1 0 379.302 2.982 20 0 GFADRO CN(CCC[NH+]1CCCC1)C(=O)CCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000286045442 563546457 /nfs/dbraw/zinc/54/64/57/563546457.db2.gz TXEDOKFPRUBPMF-UHFFFAOYSA-N 1 0 386.945 2.838 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000331625948 563556120 /nfs/dbraw/zinc/55/61/20/563556120.db2.gz SMZKGTZSTRCZSY-SFHVURJKSA-N 1 0 394.313 2.607 20 0 GFADRO OC[C@@H]1C[N@H+](C[C@H](O)c2ccc(Br)cc2)CC[C@@H]1C(F)(F)F ZINC000286325314 563556650 /nfs/dbraw/zinc/55/66/50/563556650.db2.gz DMDYLAMMJSFPTL-UBHSHLNASA-N 1 0 382.220 2.975 20 0 GFADRO O=C(N[C@@H]1C[C@H]1c1ccccc1Br)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000431191133 563556773 /nfs/dbraw/zinc/55/67/73/563556773.db2.gz DBXZEVVRQRYDBV-JLJPHGGASA-N 1 0 376.298 2.961 20 0 GFADRO COC(=O)c1cc(S(=O)(=O)N2CCC[C@@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)cs1 ZINC000331761943 563561543 /nfs/dbraw/zinc/56/15/43/563561543.db2.gz BHCRSNRSCGLWAN-HZSPNIEDSA-N 1 0 386.539 2.561 20 0 GFADRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N1CCO[C@H](c2ccc(Br)cc2)[C@H]1C ZINC000331867503 563564866 /nfs/dbraw/zinc/56/48/66/563564866.db2.gz OGJRKWVRYHQYFX-OMNBBPDLSA-N 1 0 396.329 2.919 20 0 GFADRO C[NH+](C)[C@@]1(CNC(=O)N[C@H]2CCN(c3cccc(Cl)c3)C2)CCSC1 ZINC000431684264 563566512 /nfs/dbraw/zinc/56/65/12/563566512.db2.gz FCDNSJXBZCFPPZ-MAUKXSAKSA-N 1 0 382.961 2.655 20 0 GFADRO CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2c(C)cc(C)cc2Br)C1 ZINC000431708735 563567455 /nfs/dbraw/zinc/56/74/55/563567455.db2.gz DITHJXUAQCCEAH-CQSZACIVSA-N 1 0 396.329 2.805 20 0 GFADRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1nc2ccc(Br)cn2n1 ZINC000331934176 563567609 /nfs/dbraw/zinc/56/76/09/563567609.db2.gz LXMSJHLGCNATFM-UPJWGTAASA-N 1 0 394.317 2.588 20 0 GFADRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1S(=O)(=O)c1sccc1Br ZINC000286618753 563567820 /nfs/dbraw/zinc/56/78/20/563567820.db2.gz HWOKYWCFJUQJHY-CMPLNLGQSA-N 1 0 379.345 2.758 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)Cc2nnnn2-c2ccccc2Br)C[C@@H]1C ZINC000331998780 563570558 /nfs/dbraw/zinc/57/05/58/563570558.db2.gz ZRDNFEZOVLQVNQ-UONOGXRCSA-N 1 0 393.333 2.729 20 0 GFADRO O=C([C@@H]1CC[N@@H+](Cc2cc3c(c(Br)c2)OCO3)C1)N1CCCC1 ZINC000286705108 563571352 /nfs/dbraw/zinc/57/13/52/563571352.db2.gz AHKACGQCGIKQPX-CYBMUJFWSA-N 1 0 381.270 2.622 20 0 GFADRO O=C(CCCc1cc(Cl)sc1Cl)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000286734716 563572869 /nfs/dbraw/zinc/57/28/69/563572869.db2.gz KDLSDTJYFVWZQB-CYBMUJFWSA-N 1 0 376.353 2.884 20 0 GFADRO C[C@@H]1CN(C(=O)Nc2cc(Br)cnc2-n2cccn2)C[C@H](C)[N@H+]1C ZINC000332067031 563574301 /nfs/dbraw/zinc/57/43/01/563574301.db2.gz TZVDSCNPQXPBDP-TXEJJXNPSA-N 1 0 393.289 2.586 20 0 GFADRO Cc1nn(C)c2sc([C@H](C)[NH2+][C@@H]3CCCN(S(=O)(=O)C4CC4)C3)cc12 ZINC000286851076 563577599 /nfs/dbraw/zinc/57/75/99/563577599.db2.gz ALXXQYFKHYBUCO-QWHCGFSZSA-N 1 0 382.555 2.550 20 0 GFADRO O=S1(=O)CCC[C@H](C[NH2+][C@H]2CCc3c2cc(Br)cc3F)C1 ZINC000286868410 563578265 /nfs/dbraw/zinc/57/82/65/563578265.db2.gz BOFPTBPPIDKBPO-BMIGLBTASA-N 1 0 376.291 2.990 20 0 GFADRO C[C@@H]1NC(=O)N(CC[NH+]2CCC(c3cccc(Br)c3)CC2)C1=O ZINC000332160209 563580485 /nfs/dbraw/zinc/58/04/85/563580485.db2.gz SLHSECAFASUOHC-LBPRGKRZSA-N 1 0 380.286 2.569 20 0 GFADRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1cn2ccc(Br)cc2n1 ZINC000286980188 563582399 /nfs/dbraw/zinc/58/23/99/563582399.db2.gz GQENYRQHVVBQNF-SWLSCSKDSA-N 1 0 377.286 2.796 20 0 GFADRO O=C(Nc1cc(Br)ccc1F)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000332209826 563583785 /nfs/dbraw/zinc/58/37/85/563583785.db2.gz RZQPXUAEGBTRTJ-CYBMUJFWSA-N 1 0 398.276 2.614 20 0 GFADRO C[C@@H]1CN(Cc2nc3ccc(Br)cc3o2)CC[N@@H+]1CC(C)(C)O ZINC000332241249 563586270 /nfs/dbraw/zinc/58/62/70/563586270.db2.gz PMSAQUAMDQULQW-GFCCVEGCSA-N 1 0 382.302 2.867 20 0 GFADRO C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@@H]2CCc3cc(Br)ccc32)[C@@H](C)C1 ZINC000332265809 563589155 /nfs/dbraw/zinc/58/91/55/563589155.db2.gz OOVJDCTYMYXSIQ-GDZNZVCISA-N 1 0 396.329 2.533 20 0 GFADRO COC[C@H]([NH2+][C@H](C)C(=O)Nc1ccc(Br)c(C)c1)[C@@H]1CCCO1 ZINC000432648102 563590104 /nfs/dbraw/zinc/59/01/04/563590104.db2.gz VKUAPWNLTVTVTI-KCXAZCMYSA-N 1 0 385.302 2.868 20 0 GFADRO CCS(=O)(=O)c1ccc(C[NH2+][C@@H](C)c2cccc(-n3ccnn3)c2)s1 ZINC000287160233 563590348 /nfs/dbraw/zinc/59/03/48/563590348.db2.gz TXBQQQNLTXCVSX-ZDUSSCGKSA-N 1 0 376.507 2.973 20 0 GFADRO C[C@H](N[C@H]1CCS(=O)(=O)c2ccc(Br)cc21)[C@@H]1CCC[NH2+]C1 ZINC000332304337 563591633 /nfs/dbraw/zinc/59/16/33/563591633.db2.gz GNRPOQLUZONOFN-ZOWXZIJZSA-N 1 0 387.343 2.645 20 0 GFADRO O=C([C@H]1CC[N@@H+](C[C@H](O)COc2ccc(Cl)cc2Cl)C1)N1CCCC1 ZINC000287255985 563593630 /nfs/dbraw/zinc/59/36/30/563593630.db2.gz HCIVBJHWMYOEQR-ZFWWWQNUSA-N 1 0 387.307 2.677 20 0 GFADRO COc1cc(Cl)c(S(=O)(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1Cl ZINC000332332712 563593706 /nfs/dbraw/zinc/59/37/06/563593706.db2.gz QPDXQCHWAHYJPI-OLZOCXBDSA-N 1 0 379.309 2.907 20 0 GFADRO COc1cc(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc(Br)c1OC ZINC000332351891 563594845 /nfs/dbraw/zinc/59/48/45/563594845.db2.gz UZTRJPBRSBLEAF-KGLIPLIRSA-N 1 0 383.286 2.823 20 0 GFADRO C[C@@H]1C[C@H](N(C)C(=O)C(=O)N(C)Cc2cc(Cl)cc(Cl)c2)CC[N@@H+]1C ZINC000410733560 563595910 /nfs/dbraw/zinc/59/59/10/563595910.db2.gz POFGCPWVHZALMR-MLGOLLRUSA-N 1 0 386.323 2.893 20 0 GFADRO Cc1[nH]c(=O)c(Br)cc1C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000287389607 563599458 /nfs/dbraw/zinc/59/94/58/563599458.db2.gz IQMLZNPEGRHVMP-UHFFFAOYSA-N 1 0 382.302 2.995 20 0 GFADRO C[C@@H]1c2cc(Cl)cc(Cl)c2CCN1C(=O)C(=O)NC1CCC([NH3+])CC1 ZINC000332463405 563600606 /nfs/dbraw/zinc/60/06/06/563600606.db2.gz IIRYXBRHYNDHEL-QFWMXSHPSA-N 1 0 384.307 2.825 20 0 GFADRO Nc1c(Br)cc(Br)cc1C[NH2+][C@@H](CO)CC(F)F ZINC000433009857 563600849 /nfs/dbraw/zinc/60/08/49/563600849.db2.gz AACDMGIXOQXZPJ-MRVPVSSYSA-N 1 0 388.050 2.900 20 0 GFADRO C[C@@H](c1cccc(Br)c1)[NH+]1CCC([C@@]2(C)NC(=O)NC2=O)CC1 ZINC000332477298 563601288 /nfs/dbraw/zinc/60/12/88/563601288.db2.gz VJOIHXZDLGUMNR-APPDUMDISA-N 1 0 380.286 2.820 20 0 GFADRO CN(CC1CC[NH+](C)CC1)C(=O)c1cnc2ccc(Br)cc2c1O ZINC000332509337 563602580 /nfs/dbraw/zinc/60/25/80/563602580.db2.gz UFRKUJVHWBPFLE-UHFFFAOYSA-N 1 0 392.297 2.704 20 0 GFADRO C[C@@H](C(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1)c1ccc(Br)s1 ZINC000332549743 563603985 /nfs/dbraw/zinc/60/39/85/563603985.db2.gz JCMSOKQJJSVEDB-CHWSQXEVSA-N 1 0 389.359 2.823 20 0 GFADRO [NH3+]C1CCN(C(=O)C(=O)N2CCC(c3c(Cl)cccc3Cl)CC2)CC1 ZINC000332571393 563604847 /nfs/dbraw/zinc/60/48/47/563604847.db2.gz ZAQSOTRWISRVTA-UHFFFAOYSA-N 1 0 384.307 2.649 20 0 GFADRO C[C@H]1CC[C@H](C)[NH+]1CC(=O)N(C)CC(=O)Nc1ccccc1Br ZINC000332562829 563604996 /nfs/dbraw/zinc/60/49/96/563604996.db2.gz QSGUBNCGUWHVJH-STQMWFEESA-N 1 0 382.302 2.719 20 0 GFADRO O=C(CN1CSCC1=O)N(CCC[NH+]1CCCC1)c1ccc(Cl)cc1 ZINC000411098881 563605355 /nfs/dbraw/zinc/60/53/55/563605355.db2.gz FUHKYTOOSZZLDO-UHFFFAOYSA-N 1 0 381.929 2.692 20 0 GFADRO Cn1cc(Br)c(CN2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)n1 ZINC000433197839 563605846 /nfs/dbraw/zinc/60/58/46/563605846.db2.gz UNPPQEBSXATSFY-IYBDPMFKSA-N 1 0 375.314 2.746 20 0 GFADRO COc1cc(C[NH2+]C[C@H]2CCCC(=O)N2)cc(Br)c1OC(F)F ZINC000433204747 563606640 /nfs/dbraw/zinc/60/66/40/563606640.db2.gz HVGKYBNKESJSTH-SNVBAGLBSA-N 1 0 393.228 2.817 20 0 GFADRO Cc1cc(NC(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc(F)c1Br ZINC000411149786 563607782 /nfs/dbraw/zinc/60/77/82/563607782.db2.gz XCUCTMPEGYHEGL-WCQYABFASA-N 1 0 398.276 2.578 20 0 GFADRO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1ccc(F)c(Br)c1 ZINC000332626644 563607969 /nfs/dbraw/zinc/60/79/69/563607969.db2.gz VOUJBLXPRZOPRH-CHWSQXEVSA-N 1 0 398.276 2.612 20 0 GFADRO CC[N@@H+]1CCC[C@H](NC(=O)c2nnn(-c3cccc(Br)c3)c2C)C1 ZINC000332646715 563609554 /nfs/dbraw/zinc/60/95/54/563609554.db2.gz HLAVXBGISZZADP-AWEZNQCLSA-N 1 0 392.301 2.552 20 0 GFADRO O=C(NCC[NH2+][C@H]1CCO[C@H](C(F)(F)F)C1)c1cccc(Br)c1 ZINC000287643328 563612006 /nfs/dbraw/zinc/61/20/06/563612006.db2.gz KZMRAXFANXYOJK-STQMWFEESA-N 1 0 395.219 2.878 20 0 GFADRO COC(=O)c1csc([C@H](C)[NH2+]C2CCN(S(=O)(=O)C(C)(C)C)CC2)c1 ZINC000287671033 563613460 /nfs/dbraw/zinc/61/34/60/563613460.db2.gz VUDKZMRYSYSMIH-LBPRGKRZSA-N 1 0 388.555 2.778 20 0 GFADRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1cn(-c2ccc(Br)cc2)cn1 ZINC000332746078 563614036 /nfs/dbraw/zinc/61/40/36/563614036.db2.gz HQPCMKGAXAZQGL-RDJZCZTQSA-N 1 0 389.297 2.991 20 0 GFADRO [NH3+][C@H]1CCCO[C@@H]1C1CCN(Cc2cc3c(cc2Br)OCO3)CC1 ZINC000333078306 563619291 /nfs/dbraw/zinc/61/92/91/563619291.db2.gz AGRLGWGQQKJSNG-MAUKXSAKSA-N 1 0 397.313 2.896 20 0 GFADRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)NCCc1nc(C(F)(F)F)cs1 ZINC000287819826 563619409 /nfs/dbraw/zinc/61/94/09/563619409.db2.gz CHOVJJAAVCYFRU-RYUDHWBXSA-N 1 0 376.448 2.973 20 0 GFADRO Cc1c(Br)cc(C(=O)NCCC[N@H+](C)C2CCCCC2)c(=O)n1C ZINC000433812095 563619768 /nfs/dbraw/zinc/61/97/68/563619768.db2.gz MOHSKLRNZPCHLY-UHFFFAOYSA-N 1 0 398.345 2.841 20 0 GFADRO O=C(Nc1cnn(-c2ccccc2Br)c1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000333189821 563623332 /nfs/dbraw/zinc/62/33/32/563623332.db2.gz USEOBYCEQJAKRO-DOMZBBRYSA-N 1 0 390.285 2.851 20 0 GFADRO CCO[C@H]1C[C@@](CO)([NH2+]CCC(=O)Nc2ccccc2Br)C1(C)C ZINC000411611929 563626330 /nfs/dbraw/zinc/62/63/30/563626330.db2.gz OEJXGHNHRPFWMQ-YJBOKZPZSA-N 1 0 399.329 2.933 20 0 GFADRO [NH3+][C@H]1CCO[C@@H](C2CCN(C(=O)Cc3cccc(Br)c3)CC2)C1 ZINC000333287435 563626818 /nfs/dbraw/zinc/62/68/18/563626818.db2.gz NRRJOYKEPKQYIW-DLBZAZTESA-N 1 0 381.314 2.737 20 0 GFADRO Cc1nc2cc(Br)cc(NC(=O)N3C[C@@H]4CC[NH2+]C[C@@H]4C3)c2o1 ZINC000333318834 563627995 /nfs/dbraw/zinc/62/79/95/563627995.db2.gz MQZWFLYBJVPMGM-WDEREUQCSA-N 1 0 379.258 2.972 20 0 GFADRO Cc1ccc(NC(=O)C(=O)NCC[C@@H]2CCC[N@@H+](C)C2)c(Br)c1 ZINC000411670571 563628884 /nfs/dbraw/zinc/62/88/84/563628884.db2.gz KYLNUANYFCCHQL-ZDUSSCGKSA-N 1 0 382.302 2.544 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000411671950 563629138 /nfs/dbraw/zinc/62/91/38/563629138.db2.gz MJTCCIPCXCVLKS-AWEZNQCLSA-N 1 0 396.329 2.853 20 0 GFADRO COc1cc(OC)c(NC(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1Br ZINC000333364932 563629586 /nfs/dbraw/zinc/62/95/86/563629586.db2.gz UEJLHHTWASDENX-PWSUYJOCSA-N 1 0 384.274 2.682 20 0 GFADRO CN(C(=O)Nc1ccc2nccnc2c1Br)[C@@H]1CCC[NH2+]CC1 ZINC000333391053 563630108 /nfs/dbraw/zinc/63/01/08/563630108.db2.gz XMXABGSIWPWMNL-LLVKDONJSA-N 1 0 378.274 2.998 20 0 GFADRO CSc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@](O)(C(F)(F)F)CC2)cc1 ZINC000411716256 563630968 /nfs/dbraw/zinc/63/09/68/563630968.db2.gz FQPOZOVHCZEKAC-XJKSGUPXSA-N 1 0 379.444 2.928 20 0 GFADRO O=C(c1cn([C@@H]2CCC[NH2+]C2)nn1)N1CCc2cc(Cl)cc(Cl)c2C1 ZINC000333459676 563633421 /nfs/dbraw/zinc/63/34/21/563633421.db2.gz GEVZGTNFRCZDRV-CYBMUJFWSA-N 1 0 380.279 2.708 20 0 GFADRO O=C(CC[NH2+][C@H](C1CC1)[C@]1(CO)CCCO1)Nc1cccc(Br)c1 ZINC000411774655 563633713 /nfs/dbraw/zinc/63/37/13/563633713.db2.gz VXKDZLQJBAAWMO-QZTJIDSGSA-N 1 0 397.313 2.687 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1nc(C(C)(C)C)cs1)c1cccs1 ZINC000434662596 563634404 /nfs/dbraw/zinc/63/44/04/563634404.db2.gz MKNQIIKZSLSUGS-NSHDSACASA-N 1 0 380.539 2.860 20 0 GFADRO COc1ccc(Br)cc1C(=O)CCC(=O)N1CC[NH2+][C@H](C)[C@H]1C ZINC000434673772 563634770 /nfs/dbraw/zinc/63/47/70/563634770.db2.gz RJBRUGAYQKBQNO-VXGBXAGGSA-N 1 0 383.286 2.629 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]1C1CCN(C(=O)NCc2ccsc2Br)CC1 ZINC000333598440 563636792 /nfs/dbraw/zinc/63/67/92/563636792.db2.gz PIGCMVMLWRXEFL-OLZOCXBDSA-N 1 0 388.331 2.548 20 0 GFADRO [NH3+][C@H]1CCO[C@@H](C2CCN(S(=O)(=O)c3c(Cl)ccc(F)c3F)CC2)C1 ZINC000333630947 563637396 /nfs/dbraw/zinc/63/73/96/563637396.db2.gz GPVSGYSWDQWFFP-SMDDNHRTSA-N 1 0 394.871 2.525 20 0 GFADRO [NH3+][C@H]1CCO[C@H](C2CCN(S(=O)(=O)c3ccc(Cl)c(Cl)c3)CC2)C1 ZINC000333715507 563639651 /nfs/dbraw/zinc/63/96/51/563639651.db2.gz SZEZEMRGQVLNNR-LRDDRELGSA-N 1 0 393.336 2.900 20 0 GFADRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(C(=O)Cc2cc[nH]c(=O)c2Br)C1 ZINC000333705252 563639982 /nfs/dbraw/zinc/63/99/82/563639982.db2.gz LEDCSRMIPAEEME-UMVBOHGHSA-N 1 0 396.329 2.956 20 0 GFADRO O=C(C[C@@H]1CSCC[NH2+]1)NCCCCc1nc(-c2cccnc2)cs1 ZINC000434873321 563639976 /nfs/dbraw/zinc/63/99/76/563639976.db2.gz JBEDBKNBNODOPC-OAHLLOKOSA-N 1 0 376.551 2.739 20 0 GFADRO [NH3+][C@@H]1CCO[C@@H](C2CCN(S(=O)(=O)c3ccc(Cl)c(Cl)c3)CC2)C1 ZINC000333715508 563640041 /nfs/dbraw/zinc/64/00/41/563640041.db2.gz SZEZEMRGQVLNNR-MLGOLLRUSA-N 1 0 393.336 2.900 20 0 GFADRO COC(=O)[C@H]1CN(C)CC[N@H+](CC/C=C/c2ccc(Br)cc2)C1 ZINC000411902813 563640101 /nfs/dbraw/zinc/64/01/01/563640101.db2.gz IVTBVQMWYOKFMX-WMHVBEDNSA-N 1 0 381.314 2.889 20 0 GFADRO [NH3+][C@H]1CCCO[C@@H]1C1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC000333725769 563640725 /nfs/dbraw/zinc/64/07/25/563640725.db2.gz VJNIPJYYJZYXQV-LSDHHAIUSA-N 1 0 393.336 2.900 20 0 GFADRO O[C@H](COc1ccc(Br)cc1)C[N@@H+]1C[C@@H](O)C[C@@H]1c1ccccc1 ZINC000411908443 563640791 /nfs/dbraw/zinc/64/07/91/563640791.db2.gz DJXLRXIYNQOKJC-JENIJYKNSA-N 1 0 392.293 2.997 20 0 GFADRO O=C(c1cc2c(c(Br)c1)OCO2)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000333769333 563641934 /nfs/dbraw/zinc/64/19/34/563641934.db2.gz BUJUAQAGRDFNFW-BXUZGUMPSA-N 1 0 381.270 2.782 20 0 GFADRO O=C(N[C@H]1COc2cc(F)c(Br)cc21)N1CCC2(CC[NH2+]2)CC1 ZINC000333809895 563642652 /nfs/dbraw/zinc/64/26/52/563642652.db2.gz JBHZRQGEUZUTSP-ZDUSSCGKSA-N 1 0 384.249 2.559 20 0 GFADRO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(C(=O)c2ccc(Br)cc2F)CC1 ZINC000333820160 563642936 /nfs/dbraw/zinc/64/29/36/563642936.db2.gz KTHZEBDVEUDSTK-HZPDHXFCSA-N 1 0 385.277 2.947 20 0 GFADRO OC[C@@H]([NH2+]Cc1cc(Br)ccc1OC(F)F)[C@H]1CCCOC1 ZINC000411992732 563643547 /nfs/dbraw/zinc/64/35/47/563643547.db2.gz KEARXGGYVBTEDO-GXFFZTMASA-N 1 0 380.229 2.928 20 0 GFADRO OC[C@@H]([NH2+]Cc1ncc(-c2ccc(Br)cc2)o1)[C@@H]1CCCOC1 ZINC000411999270 563643799 /nfs/dbraw/zinc/64/37/99/563643799.db2.gz XGJUQZVWHMRCQR-UKRRQHHQSA-N 1 0 381.270 2.981 20 0 GFADRO COc1ccc([C@H](C)NC(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)cc1Br ZINC000333882476 563644535 /nfs/dbraw/zinc/64/45/35/563644535.db2.gz DXGLQCQBGQDDCF-YUTCNCBUSA-N 1 0 382.302 2.770 20 0 GFADRO COC(=O)CC[C@@H]([NH3+])C(=O)Nc1ccc(Sc2nncs2)c(Cl)c1 ZINC000288498120 563645418 /nfs/dbraw/zinc/64/54/18/563645418.db2.gz BCYNQPILRMAUGJ-SNVBAGLBSA-N 1 0 386.886 2.562 20 0 GFADRO COC(=O)[C@@H]1CSCC[N@H+](C[C@H](O)CO[C@H](C)c2ccc(Cl)cc2)C1 ZINC000412061049 563645556 /nfs/dbraw/zinc/64/55/56/563645556.db2.gz AHZABMSXVBVTPB-KMFMINBZSA-N 1 0 387.929 2.617 20 0 GFADRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)N[C@@H]3CCOc4ccc(Br)cc43)C[C@H]12 ZINC000333947851 563646458 /nfs/dbraw/zinc/64/64/58/563646458.db2.gz VUUIPZVTUXNLAE-AQNFWKISSA-N 1 0 380.286 2.651 20 0 GFADRO C[C@@H]1[C@H](CO)CCC[N@@H+]1C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000412077193 563647018 /nfs/dbraw/zinc/64/70/18/563647018.db2.gz JSLWMTWSAZEBAR-MBNYWOFBSA-N 1 0 392.721 2.935 20 0 GFADRO OC[C@@H]1C[N@H+](Cc2c(-c3ccc(Cl)cc3)nc3sccn23)CC[C@H]1O ZINC000412107880 563648416 /nfs/dbraw/zinc/64/84/16/563648416.db2.gz RRWCJXRPHIQDAW-XJKSGUPXSA-N 1 0 377.897 2.891 20 0 GFADRO O=C(NCCC[N@@H+]1CCc2ccccc2C1)c1cc[nH]c(=O)c1Br ZINC000435577386 563653798 /nfs/dbraw/zinc/65/37/98/563653798.db2.gz ZYDWQQGAWFKCPE-UHFFFAOYSA-N 1 0 390.281 2.728 20 0 GFADRO COC(=O)CC[C@H]([NH3+])C(=O)N(Cc1cc(Br)ccc1F)C(C)C ZINC000288730314 563655231 /nfs/dbraw/zinc/65/52/31/563655231.db2.gz LISDUXFEYHOFQT-AWEZNQCLSA-N 1 0 389.265 2.606 20 0 GFADRO C[C@H](C[NH+]1CCCCC1)NC(=O)[C@H]1CC(=O)Nc2ccc(Br)cc21 ZINC000435671229 563656385 /nfs/dbraw/zinc/65/63/85/563656385.db2.gz JERYQKHATKYZIS-DOMZBBRYSA-N 1 0 394.313 2.866 20 0 GFADRO COc1ccc(Sc2nsc(NC(=O)NC3CC[NH+](C)CC3)n2)cc1 ZINC000289580105 563679662 /nfs/dbraw/zinc/67/96/62/563679662.db2.gz HHCMPCCLZQSGMP-UHFFFAOYSA-N 1 0 379.511 2.914 20 0 GFADRO CCn1ccnc1[C@H]1OCC[C@@H]1[NH2+]Cc1cn2ccc(Br)cc2n1 ZINC000289588308 563680130 /nfs/dbraw/zinc/68/01/30/563680130.db2.gz TXCWPIWOVAYYGY-HOCLYGCPSA-N 1 0 390.285 2.933 20 0 GFADRO O=S(=O)(NCc1nc(-c2ccn3c[nH+]cc3c2)no1)c1ccc(Cl)s1 ZINC000351068091 563681269 /nfs/dbraw/zinc/68/12/69/563681269.db2.gz ADVVSLLDFYIBDJ-UHFFFAOYSA-N 1 0 395.853 2.578 20 0 GFADRO C[C@@H](NC(=O)Nc1ccn(CC[NH+](C)C)n1)c1ccc(Br)cc1F ZINC000436863982 563683300 /nfs/dbraw/zinc/68/33/00/563683300.db2.gz MBIYRSYJLHFRQR-LLVKDONJSA-N 1 0 398.280 3.229 20 0 GFADRO CC[N@H+](CCNC(=O)NCc1cc(Cl)cc(S(=O)(=O)CC)c1)C(C)C ZINC000413219395 563685446 /nfs/dbraw/zinc/68/54/46/563685446.db2.gz ADWQOPQZIRPSTJ-UHFFFAOYSA-N 1 0 389.949 2.663 20 0 GFADRO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]C[C@]2(C)OCCc3sccc32)c1 ZINC000289763655 563685919 /nfs/dbraw/zinc/68/59/19/563685919.db2.gz LUMWXPULTLWSOW-ACJLOTCBSA-N 1 0 380.535 2.795 20 0 GFADRO CC[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1cc(Br)ccc1N1CCOCC1 ZINC000289898465 563690334 /nfs/dbraw/zinc/69/03/34/563690334.db2.gz IZMKTUIISLNTGI-KGLIPLIRSA-N 1 0 382.302 2.612 20 0 GFADRO O=C(c1csc(-c2ccc(Cl)s2)n1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000289915259 563691002 /nfs/dbraw/zinc/69/10/02/563691002.db2.gz NPDXIPRSZJUTNK-LLVKDONJSA-N 1 0 382.942 2.645 20 0 GFADRO Cc1nc([C@@H]2CCC[N@H+](C[C@H](O)COc3cccc(Br)c3)C2)no1 ZINC000360036873 563691030 /nfs/dbraw/zinc/69/10/30/563691030.db2.gz AQYIWDBWQWXVQC-HIFRSBDPSA-N 1 0 396.285 2.760 20 0 GFADRO O=C(c1ccc(I)cc1Cl)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000289932467 563691638 /nfs/dbraw/zinc/69/16/38/563691638.db2.gz VSTGGRPUESLNPS-ZJUUUORDSA-N 1 0 390.652 2.626 20 0 GFADRO C[C@@H](CNC(=O)NC1CCN(Cc2cccc(Br)c2)CC1)[NH+](C)C ZINC000413588812 563698713 /nfs/dbraw/zinc/69/87/13/563698713.db2.gz GVBUKJSWCQISMT-AWEZNQCLSA-N 1 0 397.361 2.663 20 0 GFADRO COC(=O)c1sc(NC[C@@H]2CCC[N@H+](Cc3cccnc3)C2)nc1Cl ZINC000361831093 563702000 /nfs/dbraw/zinc/70/20/00/563702000.db2.gz RLHMLSODPSGGJI-ZDUSSCGKSA-N 1 0 380.901 3.302 20 0 GFADRO O=C(c1ccccc1I)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000290248982 563702660 /nfs/dbraw/zinc/70/26/60/563702660.db2.gz WDTJMDPNVURIBC-ZDUSSCGKSA-N 1 0 384.261 2.753 20 0 GFADRO Cc1ccc(Br)c(CNC(=O)NCC2(O)CC[NH+](C(C)C)CC2)c1 ZINC000413739075 563704358 /nfs/dbraw/zinc/70/43/58/563704358.db2.gz KQVQFTDPYLVUKE-UHFFFAOYSA-N 1 0 398.345 2.792 20 0 GFADRO Cc1cc(S(=O)(=O)N2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)c(Cl)cc1F ZINC000362162518 563704524 /nfs/dbraw/zinc/70/45/24/563704524.db2.gz PLHMDMLMYUEAIM-DAXOMENPSA-N 1 0 390.908 2.660 20 0 GFADRO Cc1cccc(OCC[NH2+]C2CCN(S(=O)(=O)c3cccs3)CC2)c1 ZINC000362198357 563704603 /nfs/dbraw/zinc/70/46/03/563704603.db2.gz FPJNDSJNBODCDW-UHFFFAOYSA-N 1 0 380.535 2.878 20 0 GFADRO COCC[NH+]1CCC(NC(=O)c2nc3ccccc3cc2Br)CC1 ZINC000290301190 563704926 /nfs/dbraw/zinc/70/49/26/563704926.db2.gz HXGRZZGKMUUWFR-UHFFFAOYSA-N 1 0 392.297 2.838 20 0 GFADRO Cn1nnnc1N1CCC([NH2+][C@H](c2ccc(Br)cc2)C2CC2)CC1 ZINC000362293315 563705211 /nfs/dbraw/zinc/70/52/11/563705211.db2.gz KHVXBCHRVDCRSD-INIZCTEOSA-N 1 0 391.317 2.682 20 0 GFADRO O=C(N[C@@H](CO)C[NH+]1CCCCC1)c1nc2ccccc2cc1Br ZINC000413801329 563705858 /nfs/dbraw/zinc/70/58/58/563705858.db2.gz RSAYCAFCDBWZJQ-CQSZACIVSA-N 1 0 392.297 2.574 20 0 GFADRO COc1c(Cl)cc(NC(=O)C(=O)N[C@H](C)C[N@H+](C)C(C)C)cc1Cl ZINC000290341210 563706036 /nfs/dbraw/zinc/70/60/36/563706036.db2.gz NAOSINKPXDOESW-SNVBAGLBSA-N 1 0 376.284 2.785 20 0 GFADRO O=C(N[C@H](CO)C[NH+]1CCCCC1)c1cc(Br)cc2cccnc21 ZINC000413814231 563706603 /nfs/dbraw/zinc/70/66/03/563706603.db2.gz IMMROJKBDCLLAD-HNNXBMFYSA-N 1 0 392.297 2.574 20 0 GFADRO Cc1ccc(C(=O)N2CC[C@H]3CC[N@@H+](C)[C@@H]3C2)cc1I ZINC000362471889 563707063 /nfs/dbraw/zinc/70/70/63/563707063.db2.gz INBDPLZCQQFRNK-IUODEOHRSA-N 1 0 384.261 2.766 20 0 GFADRO COCCN(CC[NH+](C)C)C(=O)Nc1c(F)cc(Br)cc1F ZINC000438635868 563708962 /nfs/dbraw/zinc/70/89/62/563708962.db2.gz WQNIDYFGFRUZAI-UHFFFAOYSA-N 1 0 380.233 2.769 20 0 GFADRO COC(=O)[C@H]1CN(C(=O)C2(c3c(Cl)cccc3Cl)CC2)CC[N@H+](C)C1 ZINC000413905579 563709518 /nfs/dbraw/zinc/70/95/18/563709518.db2.gz QTQYGXODSBRWQV-GFCCVEGCSA-N 1 0 385.291 2.588 20 0 GFADRO COC(=O)[C@@H]1CN(C(=O)c2cc3c(cc(Cl)cc3Cl)[nH]2)CC[N@H+](C)C1 ZINC000413901550 563709600 /nfs/dbraw/zinc/70/96/00/563709600.db2.gz MJXLVTLEWYMXOH-JTQLQIEISA-N 1 0 384.263 2.652 20 0 GFADRO COC(=O)[C@@H]1CN(C(=O)C2(c3c(Cl)cccc3Cl)CC2)CC[N@H+](C)C1 ZINC000413905581 563709936 /nfs/dbraw/zinc/70/99/36/563709936.db2.gz QTQYGXODSBRWQV-LBPRGKRZSA-N 1 0 385.291 2.588 20 0 GFADRO CCC[NH+]1CCC(NC(=O)C(=O)Nc2c(F)cccc2Br)CC1 ZINC000438803906 563710884 /nfs/dbraw/zinc/71/08/84/563710884.db2.gz ZFAHIGLPEOTVAC-UHFFFAOYSA-N 1 0 386.265 2.517 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)C1CCN(C(=O)c2ccc(Cl)s2)CC1 ZINC000363041995 563712373 /nfs/dbraw/zinc/71/23/73/563712373.db2.gz CIIZZLXZJNIAMU-CQSZACIVSA-N 1 0 383.945 2.854 20 0 GFADRO C[C@@H]1C[C@@H](C(=O)Nc2cc(Br)ccc2N2CC[NH+](C)CC2)CO1 ZINC000438948423 563714224 /nfs/dbraw/zinc/71/42/24/563714224.db2.gz BSUZLIIPZLJMNO-CHWSQXEVSA-N 1 0 382.302 2.564 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC000363129705 563715130 /nfs/dbraw/zinc/71/51/30/563715130.db2.gz KMALMASSAADCNJ-HIFRSBDPSA-N 1 0 394.313 2.687 20 0 GFADRO CC[NH+](CC)CC[C@@H](CO)NC(=O)Nc1ccc(Br)cc1F ZINC000439025339 563716121 /nfs/dbraw/zinc/71/61/21/563716121.db2.gz HZADVTAHVRWPHE-LBPRGKRZSA-N 1 0 376.270 2.803 20 0 GFADRO C[N@@H+]1CCC[C@@H](N2CCN(CC(=O)Nc3cc(Cl)ccc3Cl)CC2)C1 ZINC000363219281 563717433 /nfs/dbraw/zinc/71/74/33/563717433.db2.gz QKHGOVAUAHELSK-OAHLLOKOSA-N 1 0 385.339 2.644 20 0 GFADRO Ic1ccc2ncnc(NCC34CCC[NH+]3CCC4)c2c1 ZINC000439115631 563717812 /nfs/dbraw/zinc/71/78/12/563717812.db2.gz DJAMGQDQZOJPGT-UHFFFAOYSA-N 1 0 394.260 3.275 20 0 GFADRO CCOc1c(Cl)cc(NC(=O)C(=O)N(C)CC[NH+]2CCCC2)cc1Cl ZINC000439199646 563719175 /nfs/dbraw/zinc/71/91/75/563719175.db2.gz ODHVKFFSDDTIGF-UHFFFAOYSA-N 1 0 388.295 2.885 20 0 GFADRO CC[C@@H]1C[N@H+](C)CCCN1S(=O)(=O)Cc1ccc(Br)cc1 ZINC000439215237 563719525 /nfs/dbraw/zinc/71/95/25/563719525.db2.gz PSSOHXBVOZSPMB-OAHLLOKOSA-N 1 0 375.332 2.695 20 0 GFADRO CO[C@H](C[NH2+][C@H](C)Cn1cc(Br)ccc1=O)Cc1ccccc1 ZINC000414136243 563720540 /nfs/dbraw/zinc/72/05/40/563720540.db2.gz IURCHWXDMFQHOI-PBHICJAKSA-N 1 0 379.298 2.847 20 0 GFADRO COc1ccc(C[C@@H](CO)C[NH2+][C@@H](C)c2ccn(C)n2)cc1Br ZINC000414154372 563720891 /nfs/dbraw/zinc/72/08/91/563720891.db2.gz TVMNJVKXAHQKTI-GXTWGEPZSA-N 1 0 382.302 2.693 20 0 GFADRO COCCNC(=O)C1([NH2+][C@H]2CCc3c2cc(Cl)cc3Br)CC1 ZINC000414194155 563721732 /nfs/dbraw/zinc/72/17/32/563721732.db2.gz XQBALDOQEYIOBC-AWEZNQCLSA-N 1 0 387.705 2.975 20 0 GFADRO C[NH+](C)CC(C)(C)CN(C(=O)[C@@H]1CCCO1)c1ccc(Br)cn1 ZINC000439294232 563722098 /nfs/dbraw/zinc/72/20/98/563722098.db2.gz KTZOGNOXRNOIRQ-AWEZNQCLSA-N 1 0 384.318 2.944 20 0 GFADRO C[C@@H]1CC[N@H+](C)CCN1C(=O)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000439354977 563722736 /nfs/dbraw/zinc/72/27/36/563722736.db2.gz IQJZQHDKINDZNG-SNVBAGLBSA-N 1 0 377.794 2.850 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N2CC[N@@H+](C)CC[C@H]2C)c(Br)c1 ZINC000439354104 563723058 /nfs/dbraw/zinc/72/30/58/563723058.db2.gz RJXSXQYQUYXNCS-CYBMUJFWSA-N 1 0 382.302 2.557 20 0 GFADRO C[N@H+](C[C@H](O)COc1cc(F)cc(Br)c1)C[C@H]1CCCC[C@@H]1O ZINC000439428192 563723681 /nfs/dbraw/zinc/72/36/81/563723681.db2.gz YIDNOPZXXDASFI-PVUWLOKVSA-N 1 0 390.293 2.811 20 0 GFADRO COCC1CC[NH+](C[C@@H](O)COc2cc(F)cc(Br)c2)CC1 ZINC000439429232 563723779 /nfs/dbraw/zinc/72/37/79/563723779.db2.gz HSXHECMWOIVCJE-OAHLLOKOSA-N 1 0 376.266 2.686 20 0 GFADRO CC(C)[NH2+]C1CCN(C[C@@H](O)COc2cc(F)cc(Br)c2)CC1 ZINC000439430044 563723850 /nfs/dbraw/zinc/72/38/50/563723850.db2.gz KIUHHJKAZLDFDH-MRXNPFEDSA-N 1 0 389.309 2.790 20 0 GFADRO C[N@H+](CCc1ccncc1)C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000439442858 563725763 /nfs/dbraw/zinc/72/57/63/563725763.db2.gz VSHFMLVYDIRSBO-INIZCTEOSA-N 1 0 383.261 2.897 20 0 GFADRO CC[C@@H]1CO[C@@H](C)C[N@@H+]1C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000439460175 563726523 /nfs/dbraw/zinc/72/65/23/563726523.db2.gz WZRLTTODDUWFEW-NILFDRSVSA-N 1 0 376.266 2.827 20 0 GFADRO O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(I)c(F)c1 ZINC000363568942 563727007 /nfs/dbraw/zinc/72/70/07/563727007.db2.gz HQXYDLZZUWRDRI-RYUDHWBXSA-N 1 0 388.224 2.787 20 0 GFADRO C[C@H](Cc1cccc(O)c1)[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000414332512 563727141 /nfs/dbraw/zinc/72/71/41/563727141.db2.gz SALZJUAEDSWCJG-LLVKDONJSA-N 1 0 399.310 2.523 20 0 GFADRO C[C@H]1C[C@H](NC(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)c2ccsc2S1(=O)=O ZINC000291000217 563729224 /nfs/dbraw/zinc/72/92/24/563729224.db2.gz LEESNCOOPOTKHH-JLNYLFASSA-N 1 0 385.555 2.527 20 0 GFADRO CN(C)c1nc2sc(C(=O)N3C[C@@H]4C[N@@H+]5CCCC[C@H]5[C@@H]4C3)cc2s1 ZINC000363659575 563729302 /nfs/dbraw/zinc/72/93/02/563729302.db2.gz JJOXNMHJFBMSIT-XQQFMLRXSA-N 1 0 376.551 2.980 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000439601016 563729620 /nfs/dbraw/zinc/72/96/20/563729620.db2.gz ZJAMXGQXVVBUTC-HNNXBMFYSA-N 1 0 394.313 2.645 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000439601017 563729648 /nfs/dbraw/zinc/72/96/48/563729648.db2.gz ZJAMXGQXVVBUTC-OAHLLOKOSA-N 1 0 394.313 2.645 20 0 GFADRO C[NH+](C)CCOCCNC(=O)Nc1cc(F)c(Br)cc1Cl ZINC000439634048 563729924 /nfs/dbraw/zinc/72/99/24/563729924.db2.gz OCDWOKNTWYYIGT-UHFFFAOYSA-N 1 0 382.661 2.941 20 0 GFADRO COC(=O)c1cc(Br)cc(C(=O)NC2CC[NH+](C(C)C)CC2)c1 ZINC000291026064 563730018 /nfs/dbraw/zinc/73/00/18/563730018.db2.gz WRDFUKYVOLCJHE-UHFFFAOYSA-N 1 0 383.286 2.838 20 0 GFADRO Cc1ccc(Br)cc1S(=O)(=O)N1CCN(C)c2cc[nH+]cc21 ZINC000439887606 563733437 /nfs/dbraw/zinc/73/34/37/563733437.db2.gz KGYXYBMYJHVIPC-UHFFFAOYSA-N 1 0 382.283 2.798 20 0 GFADRO CC[NH+]1CCN(CC(=O)N2CCC(c3ccccc3Br)CC2)CC1 ZINC000440066804 563735650 /nfs/dbraw/zinc/73/56/50/563735650.db2.gz YEYJGUMKXCKDGD-UHFFFAOYSA-N 1 0 394.357 2.793 20 0 GFADRO C[C@@H]1CN(C(=O)C[NH2+]C(C)(C)Cc2ccc(Br)cc2)C[C@@H](C)O1 ZINC000440330255 563739418 /nfs/dbraw/zinc/73/94/18/563739418.db2.gz XSZAVCOBWIXMFK-ZIAGYGMSSA-N 1 0 383.330 2.996 20 0 GFADRO C[N@@H+]1C[C@H](NS(=O)(=O)Cc2ccc(F)c(Cl)c2)[C@H](c2ccccc2)C1 ZINC000414454923 563739686 /nfs/dbraw/zinc/73/96/86/563739686.db2.gz BLXOJBULVIEHBZ-YJBOKZPZSA-N 1 0 382.888 2.996 20 0 GFADRO Cc1cc(S(=O)(=O)N[C@@H](C)[C@H]2CCC[NH2+]C2)c(C)cc1Br ZINC000440355418 563739775 /nfs/dbraw/zinc/73/97/75/563739775.db2.gz MUICTORDTDFHRH-STQMWFEESA-N 1 0 375.332 2.732 20 0 GFADRO Cc1cc(S(=O)(=O)N[C@@H](C)[C@@H]2CCC[NH2+]C2)c(C)cc1Br ZINC000440355416 563739957 /nfs/dbraw/zinc/73/99/57/563739957.db2.gz MUICTORDTDFHRH-QWHCGFSZSA-N 1 0 375.332 2.732 20 0 GFADRO CN(C(=O)NC[C@@H]1CSCCS1)C1CC[NH+](Cc2ccncc2)CC1 ZINC000364021340 563740915 /nfs/dbraw/zinc/74/09/15/563740915.db2.gz KJVIMAIMRLZWFL-QGZVFWFLSA-N 1 0 380.583 2.536 20 0 GFADRO Cc1cc(F)c(Br)cc1S(=O)(=O)N(CC[NH+](C)C)C1CC1 ZINC000414466619 563741366 /nfs/dbraw/zinc/74/13/66/563741366.db2.gz UYQIAGHXYMHUPT-UHFFFAOYSA-N 1 0 379.295 2.611 20 0 GFADRO CN(C)C(=O)C1([NH2+]Cc2cc(Br)cc(Br)c2)CC1 ZINC000414480429 563743554 /nfs/dbraw/zinc/74/35/54/563743554.db2.gz CXWXGXGHUAQLKU-UHFFFAOYSA-N 1 0 376.092 2.922 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S(=O)(=O)CC[NH2+][C@@H]1CCCC1(C)C ZINC000440518396 563744095 /nfs/dbraw/zinc/74/40/95/563744095.db2.gz JWPTZTCNRUZYBP-QGZVFWFLSA-N 1 0 387.567 2.812 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+][C@H]1CS[C@H](C)C1 ZINC000414495019 563744715 /nfs/dbraw/zinc/74/47/15/563744715.db2.gz GLUVGXNJWHJKGV-UHIISALHSA-N 1 0 387.343 2.946 20 0 GFADRO COC(=O)[C@@H](NC(=O)CC1CC[NH+](C)CC1)c1ccc(Br)cc1 ZINC000291571783 563747981 /nfs/dbraw/zinc/74/79/81/563747981.db2.gz SXUBDGNTKHDDFR-INIZCTEOSA-N 1 0 383.286 2.511 20 0 GFADRO Cc1cc(F)c(Br)cc1S(=O)(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000440736192 563748768 /nfs/dbraw/zinc/74/87/68/563748768.db2.gz PKCHZMYJHNGHIK-WDEREUQCSA-N 1 0 379.295 2.563 20 0 GFADRO O=S(=O)(c1cc(Cl)ccc1OCCC1CC1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000440739140 563748810 /nfs/dbraw/zinc/74/88/10/563748810.db2.gz ALECSRFUHWAVTN-SFHVURJKSA-N 1 0 384.929 2.893 20 0 GFADRO COc1ccc(S(=O)(=O)NCC2([NH3+])CCCCCC2)c(Br)c1 ZINC000440730772 563748991 /nfs/dbraw/zinc/74/89/91/563748991.db2.gz BNSNBGVFVNQMDP-UHFFFAOYSA-N 1 0 391.331 2.788 20 0 GFADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1Cc1cn2ccc(Br)cc2n1 ZINC000291609509 563749987 /nfs/dbraw/zinc/74/99/87/563749987.db2.gz QYIIJBGIOHMJND-AWEZNQCLSA-N 1 0 393.329 2.782 20 0 GFADRO [NH3+]CC[C@@H]1CCCN(S(=O)(=O)c2cc(Cl)c(Br)cc2F)C1 ZINC000440804576 563750207 /nfs/dbraw/zinc/75/02/07/563750207.db2.gz CNMDVJVPRVZYPQ-VIFPVBQESA-N 1 0 399.713 2.991 20 0 GFADRO [NH3+]CC[C@@H]1CCCN(S(=O)(=O)c2c(Cl)cc(F)cc2Br)C1 ZINC000440802980 563750278 /nfs/dbraw/zinc/75/02/78/563750278.db2.gz TZNGOTDXWOHJLE-VIFPVBQESA-N 1 0 399.713 2.991 20 0 GFADRO C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)Nc1ccc(I)cc1 ZINC000414683072 563750410 /nfs/dbraw/zinc/75/04/10/563750410.db2.gz SLNIFQCIUGIWDP-CABZTGNLSA-N 1 0 389.237 2.526 20 0 GFADRO O=C(Nc1ccc(Br)cc1Cl)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000414720255 563751003 /nfs/dbraw/zinc/75/10/03/563751003.db2.gz XYCRBYYBWARODU-LBPRGKRZSA-N 1 0 387.709 2.614 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)Nc2ncc(Cc3ccccc3Cl)s2)CCCO1 ZINC000414742128 563751974 /nfs/dbraw/zinc/75/19/74/563751974.db2.gz SISIRXJNEFUZKZ-ZDUSSCGKSA-N 1 0 380.901 2.969 20 0 GFADRO Cc1cc(Br)ccc1C(=O)N1CCC([NH2+][C@H]2CNCC[C@H]2C)CC1 ZINC000414928628 563754578 /nfs/dbraw/zinc/75/45/78/563754578.db2.gz NALRRBWBVTZVTL-ACJLOTCBSA-N 1 0 394.357 2.950 20 0 GFADRO COC[C@@]1(CNCc2nc(-c3cccc(Br)c3)c[nH]2)CCC[NH2+]1 ZINC000414941754 563755223 /nfs/dbraw/zinc/75/52/23/563755223.db2.gz JGXOVRMOACWHSM-KRWDZBQOSA-N 1 0 379.302 2.697 20 0 GFADRO CC[NH+]1CCN([C@H]2CCN(C(=O)[C@H](C)c3cccc(Br)c3)C2)CC1 ZINC000291721145 563755630 /nfs/dbraw/zinc/75/56/30/563755630.db2.gz PUGLWRVEAYGAPE-QAPCUYQASA-N 1 0 394.357 2.791 20 0 GFADRO COC(=O)c1cc(Br)cc(C(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)c1 ZINC000291721206 563755776 /nfs/dbraw/zinc/75/57/76/563755776.db2.gz PVNGSYKBIHMIBM-GFCCVEGCSA-N 1 0 383.286 2.650 20 0 GFADRO COc1ccc(I)c(NC(=O)N[C@H]2CC[C@@H](C[NH3+])C2)c1 ZINC000415072165 563757711 /nfs/dbraw/zinc/75/77/11/563757711.db2.gz LPGVBAHISLWWAC-ZJUUUORDSA-N 1 0 389.237 2.549 20 0 GFADRO [NH3+]Cc1cn([C@H]2CCCN(Cc3ccc(Br)cc3Cl)C2)nn1 ZINC000415118714 563759514 /nfs/dbraw/zinc/75/95/14/563759514.db2.gz DWSJVTKJUIMRPO-AWEZNQCLSA-N 1 0 384.709 2.990 20 0 GFADRO C[C@@H](C[NH3+])NC(=O)Nc1ccc(Br)c(I)c1 ZINC000415121144 563759646 /nfs/dbraw/zinc/75/96/46/563759646.db2.gz HLQWAKDEBVBDMU-LURJTMIESA-N 1 0 398.042 2.522 20 0 GFADRO O=C(Nc1cc(Cl)ccc1N1CCSCC1)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000415127655 563760342 /nfs/dbraw/zinc/76/03/42/563760342.db2.gz WJUXACNUCOUSQK-KBPBESRZSA-N 1 0 380.945 2.966 20 0 GFADRO CN(C(=O)Nc1cc(Br)ccc1-n1cccn1)[C@@H](C[NH3+])C1CC1 ZINC000415167126 563761941 /nfs/dbraw/zinc/76/19/41/563761941.db2.gz STRUSOYIPYLCMT-HNNXBMFYSA-N 1 0 378.274 2.836 20 0 GFADRO C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)Nc1c(F)cc(Br)cc1F ZINC000415205767 563762290 /nfs/dbraw/zinc/76/22/90/563762290.db2.gz BDIDMQMNIMVUCC-WRWORJQWSA-N 1 0 378.217 2.962 20 0 GFADRO [NH3+]CCN(CCO)C(=O)Nc1cc(C(F)(F)F)ccc1SCC(F)F ZINC000415217802 563762919 /nfs/dbraw/zinc/76/29/19/563762919.db2.gz WBICJYFUVKYNCD-UHFFFAOYSA-N 1 0 387.374 2.848 20 0 GFADRO [NH3+]C[C@H]1CC[C@@H](NC(=O)Nc2cc(F)c(F)cc2I)C1 ZINC000415222898 563762952 /nfs/dbraw/zinc/76/29/52/563762952.db2.gz HCYCFBPOQBSBNB-JGVFFNPUSA-N 1 0 395.191 2.818 20 0 GFADRO COC(=O)c1ccc(S(=O)(=O)NCC2([NH+](C)C)CCCCC2)cc1Cl ZINC000441610072 563762944 /nfs/dbraw/zinc/76/29/44/563762944.db2.gz KUKDLPCWSSXFPP-UHFFFAOYSA-N 1 0 388.917 2.669 20 0 GFADRO C[C@@H]1CN(C(=O)Nc2ccc(CCn3cc(Br)cn3)cc2)C[C@H]1[NH3+] ZINC000415215616 563763045 /nfs/dbraw/zinc/76/30/45/563763045.db2.gz RVMWJKDCJPWPCF-MLGOLLRUSA-N 1 0 392.301 2.699 20 0 GFADRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)Nc1cc(F)c(F)cc1I ZINC000415239021 563763227 /nfs/dbraw/zinc/76/32/27/563763227.db2.gz NNXFRPXEZNDUMK-CPCISQLKSA-N 1 0 395.191 2.689 20 0 GFADRO O=C(Nc1ccc(F)cc1I)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000415255693 563764164 /nfs/dbraw/zinc/76/41/64/563764164.db2.gz VQQYQNYHYSZXRU-AWEZNQCLSA-N 1 0 389.212 2.648 20 0 GFADRO C[C@@H]1CN(C(=O)Nc2ccc(F)cc2I)[C@H](C)C[NH2+]1 ZINC000415252411 563764352 /nfs/dbraw/zinc/76/43/52/563764352.db2.gz OICBBMIVEPJICJ-RKDXNWHRSA-N 1 0 377.201 2.644 20 0 GFADRO Cc1c(C(=O)N(C)[C@H]2CCC[NH2+]CC2)nnn1-c1cccc(Br)c1 ZINC000364802726 563764761 /nfs/dbraw/zinc/76/47/61/563764761.db2.gz QXAOJDXKQYWGGH-AWEZNQCLSA-N 1 0 392.301 2.552 20 0 GFADRO [NH3+]C[C@H]1CCCN1C(=O)Nc1ccc(Cl)cc1I ZINC000415284192 563765302 /nfs/dbraw/zinc/76/53/02/563765302.db2.gz OTNSXUBZUYWXEJ-SECBINFHSA-N 1 0 379.629 2.900 20 0 GFADRO COC(=O)c1ccc(S(=O)(=O)NC[C@H](C)C[NH+]2CCCCC2)cc1Cl ZINC000441978588 563766211 /nfs/dbraw/zinc/76/62/11/563766211.db2.gz YFOYYKPPXUTXBY-ZDUSSCGKSA-N 1 0 388.917 2.527 20 0 GFADRO O=C(Nc1cc(Cl)ccc1SCC(F)(F)F)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000415296371 563766187 /nfs/dbraw/zinc/76/61/87/563766187.db2.gz CCEABDSOCXDYJQ-JTQLQIEISA-N 1 0 395.834 2.801 20 0 GFADRO COc1ccc(NC(=O)C(=O)NCC2([NH3+])CCCCCC2)cc1Br ZINC000415318872 563766940 /nfs/dbraw/zinc/76/69/40/563766940.db2.gz RTOAMIIEUKTIJP-UHFFFAOYSA-N 1 0 398.301 2.564 20 0 GFADRO CCC[NH+]1CCC(NC(=O)C(=O)Nc2cccc(Br)c2C)CC1 ZINC000441997332 563767236 /nfs/dbraw/zinc/76/72/36/563767236.db2.gz HFBQULQXSOVQRS-UHFFFAOYSA-N 1 0 382.302 2.687 20 0 GFADRO COC(=O)c1cc(Br)ccc1NC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000415331394 563767363 /nfs/dbraw/zinc/76/73/63/563767363.db2.gz MHXDQDNMRCDAAJ-KRWDZBQOSA-N 1 0 396.285 2.843 20 0 GFADRO CCOC(=O)c1c(NC(=O)N2CC[C@@H]([C@H](C)[NH3+])C2)sc2c1CCSC2 ZINC000415327790 563767492 /nfs/dbraw/zinc/76/74/92/563767492.db2.gz BPBSPVTZKBPAFL-WDEREUQCSA-N 1 0 383.539 2.915 20 0 GFADRO CCOC(=O)c1c(NC(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)sc2c1CCSC2 ZINC000415333136 563767605 /nfs/dbraw/zinc/76/76/05/563767605.db2.gz IRPXGOMVQYOCMC-CMPLNLGQSA-N 1 0 383.539 2.834 20 0 GFADRO CC(C)c1cc(Br)ccc1NC(=O)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000415340728 563768017 /nfs/dbraw/zinc/76/80/17/563768017.db2.gz NIQAUSMSHSEDQO-GFCCVEGCSA-N 1 0 382.302 2.627 20 0 GFADRO CCOC(=O)c1cc(Br)ccc1NC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000415351314 563769410 /nfs/dbraw/zinc/76/94/10/563769410.db2.gz NOYAHCWUJWBNFD-VXGBXAGGSA-N 1 0 396.285 2.699 20 0 GFADRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)Nc1cnn(-c2ccccc2Br)c1 ZINC000415354598 563770161 /nfs/dbraw/zinc/77/01/61/563770161.db2.gz NQONLZUTHJPORY-RYUDHWBXSA-N 1 0 378.274 2.836 20 0 GFADRO O=C(N1CC[NH+]2CCC1CC2)C1(c2ccc(Br)cc2)CCOCC1 ZINC000364968971 563770298 /nfs/dbraw/zinc/77/02/98/563770298.db2.gz DYVVBWSAFBJOOF-UHFFFAOYSA-N 1 0 393.325 2.804 20 0 GFADRO O=C(Nc1cccc(F)c1I)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000415359478 563770815 /nfs/dbraw/zinc/77/08/15/563770815.db2.gz KPWKSBVVPQHLSS-ZJUUUORDSA-N 1 0 389.212 2.504 20 0 GFADRO COc1cc(S(=O)(=O)NC[C@@H]2CC[N@H+](C)[C@@H]2c2cccs2)ccc1F ZINC000364988878 563771091 /nfs/dbraw/zinc/77/10/91/563771091.db2.gz GUGOLXOMHWDQJL-SJCJKPOMSA-N 1 0 384.498 2.867 20 0 GFADRO Cc1csc(Sc2ccc(NC(=O)C(=O)NC(C)(C)C[NH3+])c(C)c2)n1 ZINC000415377462 563771503 /nfs/dbraw/zinc/77/15/03/563771503.db2.gz FMCGXWMJGJSCHE-UHFFFAOYSA-N 1 0 378.523 2.703 20 0 GFADRO CCCN(C(=O)C(=O)Nc1ccc(Br)c(Cl)c1)[C@@H]1CC[NH2+]C1 ZINC000415389503 563771929 /nfs/dbraw/zinc/77/19/29/563771929.db2.gz JGZOCTODSOFDFN-LLVKDONJSA-N 1 0 388.693 2.642 20 0 GFADRO CC(C)c1cc(Br)ccc1NC(=O)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000415400237 563772604 /nfs/dbraw/zinc/77/26/04/563772604.db2.gz VSOPNTZAZCIKRA-GFCCVEGCSA-N 1 0 382.302 2.627 20 0 GFADRO CO[C@H]1CCN(C(=O)Nc2cc(F)c(Br)c(F)c2)[C@@H](C[NH3+])C1 ZINC000415400137 563772798 /nfs/dbraw/zinc/77/27/98/563772798.db2.gz FIXHAQXCZNZDBG-ZJUUUORDSA-N 1 0 378.217 2.697 20 0 GFADRO Cc1cc(F)c(NC(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)c(I)c1 ZINC000415394151 563772847 /nfs/dbraw/zinc/77/28/47/563772847.db2.gz QGQUENWVNDCTDL-JOYOIKCWSA-N 1 0 391.228 2.858 20 0 GFADRO O=C(NCC[C@@H]1CCC[NH2+]C1)C(=O)Nc1ccc(C(F)(F)F)cc1Cl ZINC000415405164 563773068 /nfs/dbraw/zinc/77/30/68/563773068.db2.gz BULZTNUJMYJGQH-JTQLQIEISA-N 1 0 377.794 2.803 20 0 GFADRO CCCN(C(=O)C(=O)Nc1cc2sc(C)nc2cc1Cl)[C@H]1CC[NH2+]C1 ZINC000415403619 563773100 /nfs/dbraw/zinc/77/31/00/563773100.db2.gz LVLQFWGWNIPMEQ-NSHDSACASA-N 1 0 380.901 2.797 20 0 GFADRO COC(=O)c1cc(NC(=O)N2CCC[C@]3(CC[NH2+]C3)C2)ccc1Br ZINC000415403532 563773241 /nfs/dbraw/zinc/77/32/41/563773241.db2.gz KNGADCURMJAYRP-QGZVFWFLSA-N 1 0 396.285 2.843 20 0 GFADRO O=C(Nc1ccn(-c2ccc(Cl)cc2Cl)n1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000415408129 563773313 /nfs/dbraw/zinc/77/33/13/563773313.db2.gz ZFVXHZBUQVYOPL-OLZOCXBDSA-N 1 0 380.279 3.537 20 0 GFADRO O=C(NCC[C@H]1CCC[NH2+]C1)C(=O)Nc1cc(Cl)ccc1Br ZINC000415409378 563773771 /nfs/dbraw/zinc/77/37/71/563773771.db2.gz SPZBJVUUXJFCKI-SNVBAGLBSA-N 1 0 388.693 2.547 20 0 GFADRO COC(=O)c1cc(NC(=O)NCC[C@H]2CCC[NH2+]C2)ccc1Br ZINC000415411034 563773792 /nfs/dbraw/zinc/77/37/92/563773792.db2.gz VRAKZEDYRDRCHP-LLVKDONJSA-N 1 0 384.274 2.747 20 0 GFADRO [NH3+][C@@H]1CCC[C@@]12CCN(C(=O)/C=C/c1ccc(I)o1)C2 ZINC000365094855 563774090 /nfs/dbraw/zinc/77/40/90/563774090.db2.gz PFGGYRLRHTTXCR-NBOVPLECSA-N 1 0 386.233 2.627 20 0 GFADRO C[NH2+]C[C@@H]1CCCN1C(=O)Nc1cc(Br)ccc1OCCOC ZINC000415424186 563774256 /nfs/dbraw/zinc/77/42/56/563774256.db2.gz IDOSHJLYPOGVML-ZDUSSCGKSA-N 1 0 386.290 2.690 20 0 GFADRO COCCOc1ccc(Br)cc1NC(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000415422857 563774346 /nfs/dbraw/zinc/77/43/46/563774346.db2.gz FLMUHQCHMJFTMO-WCQYABFASA-N 1 0 386.290 2.723 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000415427450 563774851 /nfs/dbraw/zinc/77/48/51/563774851.db2.gz BSZINPXMVGCBLU-UWVGGRQHSA-N 1 0 377.794 2.883 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000415426692 563774896 /nfs/dbraw/zinc/77/48/96/563774896.db2.gz NTSWJFZMIBDXGF-HNNXBMFYSA-N 1 0 382.302 2.720 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000415426693 563775132 /nfs/dbraw/zinc/77/51/32/563775132.db2.gz NTSWJFZMIBDXGF-OAHLLOKOSA-N 1 0 382.302 2.720 20 0 GFADRO C[C@@H]1CN(c2ncc(Br)cc2Cl)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000365195254 563776926 /nfs/dbraw/zinc/77/69/26/563776926.db2.gz ZUHCPGQFWKCXAA-DOMZBBRYSA-N 1 0 387.753 2.960 20 0 GFADRO C[C@@H]([NH3+])[C@H](C)C(=O)N1CCC(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000365192067 563777323 /nfs/dbraw/zinc/77/73/23/563777323.db2.gz OUWFQXRLXFELMD-NWDGAFQWSA-N 1 0 382.302 2.610 20 0 GFADRO COC(=O)c1cc(Br)c(F)cc1NC(=O)N[C@H]1CCC[NH2+][C@@H]1C ZINC000415472664 563777699 /nfs/dbraw/zinc/77/76/99/563777699.db2.gz YFLIMAHTMQOLDJ-PELKAZGASA-N 1 0 388.237 2.637 20 0 GFADRO CCC([NH3+])(CC)CNC(=O)C(=O)Nc1cc(Cl)cc(Br)c1 ZINC000415488698 563778881 /nfs/dbraw/zinc/77/88/81/563778881.db2.gz MBNYKXNTKWOKKL-UHFFFAOYSA-N 1 0 376.682 2.675 20 0 GFADRO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)Nc1ccc(Br)cc1C(C)C ZINC000415484970 563778940 /nfs/dbraw/zinc/77/89/40/563778940.db2.gz CQMAJXJZGJRYQZ-ZDUSSCGKSA-N 1 0 382.302 2.721 20 0 GFADRO CCCN(C(=O)C(=O)Nc1cc(C)cc(Br)c1)C1CC[NH2+]CC1 ZINC000415494039 563779107 /nfs/dbraw/zinc/77/91/07/563779107.db2.gz CWARMWLJXCMTLJ-UHFFFAOYSA-N 1 0 382.302 2.687 20 0 GFADRO C[C@@H]1CCN(C(=O)Nc2cc(Br)cnc2-n2cccn2)[C@@H](C[NH3+])C1 ZINC000415494270 563779138 /nfs/dbraw/zinc/77/91/38/563779138.db2.gz ZBGWAOICHSFYBF-DGCLKSJQSA-N 1 0 393.289 2.621 20 0 GFADRO CCCC[C@@H](C[NH3+])NC(=O)C(=O)Nc1cccc2cc(Br)cnc21 ZINC000415494940 563779562 /nfs/dbraw/zinc/77/95/62/563779562.db2.gz IOEDNMBDPKPJQZ-ZDUSSCGKSA-N 1 0 393.285 2.570 20 0 GFADRO C[NH+](C)[C@@H]1CCCN(C(=O)c2cc(S(C)(=O)=O)c(Cl)cc2Cl)CC1 ZINC000365296453 563780099 /nfs/dbraw/zinc/78/00/99/563780099.db2.gz ODHMMJGJSMLWIT-LLVKDONJSA-N 1 0 393.336 2.953 20 0 GFADRO CCCC[C@@H](C[NH3+])NC(=O)C(=O)Nc1cc(Cl)cc(Br)c1 ZINC000415506207 563780216 /nfs/dbraw/zinc/78/02/16/563780216.db2.gz ZKQJZBRVOSKWOU-NSHDSACASA-N 1 0 376.682 2.675 20 0 GFADRO O=C(Nc1ccc(F)cc1Br)C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000415514940 563780730 /nfs/dbraw/zinc/78/07/30/563780730.db2.gz HNSYUNUHWUZZHV-AWEZNQCLSA-N 1 0 398.276 2.517 20 0 GFADRO O=C(Nc1ccnn1Cc1ccccc1Br)N[C@@H]1CCC[NH2+]C1 ZINC000415518913 563780793 /nfs/dbraw/zinc/78/07/93/563780793.db2.gz CQEQCYTWBQOCJQ-CYBMUJFWSA-N 1 0 378.274 2.567 20 0 GFADRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)Nc1ccnn1Cc1ccc(Br)cc1 ZINC000415522403 563781265 /nfs/dbraw/zinc/78/12/65/563781265.db2.gz DJTKIKAKOFXKMM-TZMCWYRMSA-N 1 0 392.301 2.895 20 0 GFADRO Cc1cc(NC(=O)C(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)ccc1Br ZINC000415522093 563781387 /nfs/dbraw/zinc/78/13/87/563781387.db2.gz PYZMUBJHVKSTRY-MRXNPFEDSA-N 1 0 394.313 2.687 20 0 GFADRO C[C@H](c1ccccc1)[C@@H]([NH2+]C[C@H](O)c1ccc(Br)cc1)C(N)=O ZINC000292282816 563781649 /nfs/dbraw/zinc/78/16/49/563781649.db2.gz SXJQWHKRQVERNS-OAUYIBNBSA-N 1 0 377.282 2.730 20 0 GFADRO [NH3+]C[C@H]1CC[C@H](NC(=O)Nc2ccnn2Cc2ccc(Br)cc2)C1 ZINC000415524302 563782078 /nfs/dbraw/zinc/78/20/78/563782078.db2.gz HHTGQOGGKSATAP-ZFWWWQNUSA-N 1 0 392.301 2.943 20 0 GFADRO CCO[C@H]1C[C@H]([NH2+]CCNS(=O)(=O)c2ccc(Cl)cc2F)C12CCC2 ZINC000442876865 563783131 /nfs/dbraw/zinc/78/31/31/563783131.db2.gz YPAXOQSYEJIISM-HOTGVXAUSA-N 1 0 390.908 2.695 20 0 GFADRO COc1cc(OC)c(NC(=O)NCC2(C)CC[NH2+]CC2)cc1Br ZINC000415532154 563783307 /nfs/dbraw/zinc/78/33/07/563783307.db2.gz XLDDTYNZRMVGQB-UHFFFAOYSA-N 1 0 386.290 2.978 20 0 GFADRO C[C@@H](CC1CCOCC1)[NH2+]CCNS(=O)(=O)c1ccc(Cl)cc1F ZINC000442877450 563783330 /nfs/dbraw/zinc/78/33/30/563783330.db2.gz ZJXZRVZMOANPDL-LBPRGKRZSA-N 1 0 378.897 2.552 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)Nc2ccnn2Cc2ccc(Br)cc2)C1 ZINC000415534049 563783393 /nfs/dbraw/zinc/78/33/93/563783393.db2.gz UPFQBWYTQRPOKI-TZMCWYRMSA-N 1 0 392.301 2.895 20 0 GFADRO COc1cc(NC(=O)NCC2C[NH2+]C2)c(Br)cc1Br ZINC000415592319 563785778 /nfs/dbraw/zinc/78/57/78/563785778.db2.gz SVQBGYYWTSLYDH-UHFFFAOYSA-N 1 0 393.079 2.561 20 0 GFADRO COC(=O)c1sccc1NC(=O)C[NH2+][C@@H](C)[C@H]1OCCc2sccc21 ZINC000292353741 563783493 /nfs/dbraw/zinc/78/34/93/563783493.db2.gz HOTYAKLAUDEKHC-ZUZCIYMTSA-N 1 0 380.491 2.827 20 0 GFADRO C[C@@H](CC[NH3+])NC(=O)C(=O)Nc1cc(Cl)ccc1SCC(F)(F)F ZINC000415547510 563783691 /nfs/dbraw/zinc/78/36/91/563783691.db2.gz CVMIXTUXMGYPBG-QMMMGPOBSA-N 1 0 383.823 2.786 20 0 GFADRO CSC[C@](C)(O)CNC(=O)NC[C@H]1CC[N@H+](C)[C@@H]1c1cccc(Cl)c1 ZINC000365455664 563784064 /nfs/dbraw/zinc/78/40/64/563784064.db2.gz KINQAOUATFWZTR-QGPMSJSTSA-N 1 0 385.961 2.746 20 0 GFADRO C[N@@H+]1CC[C@]2(CCN(C(=O)c3ccn(-c4cccc(Br)c4)n3)C2)C1 ZINC000292380173 563784126 /nfs/dbraw/zinc/78/41/26/563784126.db2.gz RMUAAQOYPVYPIN-SFHVURJKSA-N 1 0 389.297 2.803 20 0 GFADRO CO[C@H]1CCN(C(=O)Nc2cc(F)cc(F)c2Br)[C@@H](C[NH3+])C1 ZINC000415556761 563784343 /nfs/dbraw/zinc/78/43/43/563784343.db2.gz IOVCJXLUEIZHBZ-ZJUUUORDSA-N 1 0 378.217 2.697 20 0 GFADRO Cc1nc2cc(Cl)c(NC(=O)C(=O)NCC3(C)CC[NH2+]CC3)cc2s1 ZINC000415555366 563784364 /nfs/dbraw/zinc/78/43/64/563784364.db2.gz FHMQHGHYMHWVTF-UHFFFAOYSA-N 1 0 380.901 2.703 20 0 GFADRO C[C@@]1(CNC(=O)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)CCC[NH2+]C1 ZINC000415565819 563784491 /nfs/dbraw/zinc/78/44/91/563784491.db2.gz FCUXIWQPOHPJRT-OAHLLOKOSA-N 1 0 377.794 2.803 20 0 GFADRO Cc1cc(Br)cc(Cl)c1NC(=O)C(=O)N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000415581186 563784938 /nfs/dbraw/zinc/78/49/38/563784938.db2.gz SGZSEUXLLJTFKF-VHSXEESVSA-N 1 0 388.693 2.545 20 0 GFADRO C[C@]1(CNC(=O)C(=O)Nc2ccc(Br)c(Cl)c2)CCC[NH2+]C1 ZINC000415576254 563785013 /nfs/dbraw/zinc/78/50/13/563785013.db2.gz VXKJSLCGGJXRKI-HNNXBMFYSA-N 1 0 388.693 2.547 20 0 GFADRO O=C(CCNc1ncc(C(F)(F)F)cc1Cl)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000292454509 563787024 /nfs/dbraw/zinc/78/70/24/563787024.db2.gz LDFHNWVTWRGRNL-ZWNOBZJWSA-N 1 0 376.810 2.766 20 0 GFADRO [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)Nc1cc(Cl)c(F)c(Cl)c1 ZINC000415601872 563786988 /nfs/dbraw/zinc/78/69/88/563786988.db2.gz JPMSOXHADSONIW-NSHDSACASA-N 1 0 391.274 2.984 20 0 GFADRO O=C(Nc1ccc(C(F)(F)F)cc1Cl)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000415600271 563787104 /nfs/dbraw/zinc/78/71/04/563787104.db2.gz YFVFLTOXIIGSTR-HNNXBMFYSA-N 1 0 375.778 2.509 20 0 GFADRO CC[NH+]1CCN(c2ccccc2NC(=O)c2nn(C)cc2Br)CC1 ZINC000292448694 563787217 /nfs/dbraw/zinc/78/72/17/563787217.db2.gz AGJXVOPDFUBVCY-UHFFFAOYSA-N 1 0 392.301 2.577 20 0 GFADRO COC(=O)c1cccc(NC(=O)N2CCC3(C2)CC[NH2+]CC3)c1Br ZINC000415605186 563787525 /nfs/dbraw/zinc/78/75/25/563787525.db2.gz HBJLYGPFXDQCLZ-UHFFFAOYSA-N 1 0 396.285 2.843 20 0 GFADRO CO[C@H]1CCN(C(=O)Nc2cc(F)cc(Br)c2F)[C@@H](C[NH3+])C1 ZINC000415613808 563788268 /nfs/dbraw/zinc/78/82/68/563788268.db2.gz AGFGSKWHHLRTHA-ZJUUUORDSA-N 1 0 378.217 2.697 20 0 GFADRO C[N@H+](Cc1ccccc1)[C@H]1CCN(S(=O)(=O)Cc2ccc(Cl)nc2)C1 ZINC000365593175 563788570 /nfs/dbraw/zinc/78/85/70/563788570.db2.gz SODCUORRSSPVDB-KRWDZBQOSA-N 1 0 379.913 2.771 20 0 GFADRO COC(=O)c1cc(F)c(Br)cc1NC(=O)N1CC[NH2+]C(C)(C)C1 ZINC000415630779 563788778 /nfs/dbraw/zinc/78/87/78/563788778.db2.gz HAOQWGAYLMTGRS-UHFFFAOYSA-N 1 0 388.237 2.591 20 0 GFADRO C[C@@H]1CN(C(=O)Nc2nnc(-c3ccc(Cl)cc3F)s2)C[C@@]1(C)C[NH3+] ZINC000415629399 563788837 /nfs/dbraw/zinc/78/88/37/563788837.db2.gz ICUINAIVJHKVNV-JDNHERCYSA-N 1 0 383.880 3.446 20 0 GFADRO COC(=O)c1cc(F)c(Br)cc1NC(=O)N[C@@](C)(C[NH3+])C1CC1 ZINC000415631355 563788885 /nfs/dbraw/zinc/78/88/85/563788885.db2.gz LQFFPFPUPHVGGQ-HNNXBMFYSA-N 1 0 388.237 2.624 20 0 GFADRO COC(=O)c1cc(F)c(Br)cc1NC(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000415632773 563789402 /nfs/dbraw/zinc/78/94/02/563789402.db2.gz WZPJLOOIBVQDJX-RKDXNWHRSA-N 1 0 388.237 2.576 20 0 GFADRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)Nc1ccc(Br)c2ccccc12 ZINC000415632475 563789527 /nfs/dbraw/zinc/78/95/27/563789527.db2.gz XWQJZHGKLZUEGJ-ZBEGNZNMSA-N 1 0 390.281 2.655 20 0 GFADRO [NH3+]CC[C@@H]1CCCN(CC(=O)Nc2c(F)cc(F)cc2Br)C1 ZINC000443060653 563790185 /nfs/dbraw/zinc/79/01/85/563790185.db2.gz PLPWGABATPLYTO-JTQLQIEISA-N 1 0 376.245 2.727 20 0 GFADRO [NH3+]C[C@H]1CCCN1C(=O)Nc1cc(Br)cc(C(=O)N2CCCC2)c1 ZINC000415639783 563790232 /nfs/dbraw/zinc/79/02/32/563790232.db2.gz QMGHZAINPGZYMD-OAHLLOKOSA-N 1 0 395.301 2.640 20 0 GFADRO Cc1ccc(CCC[NH2+]CCNS(=O)(=O)c2ccc(Cl)cc2F)cn1 ZINC000443072971 563790344 /nfs/dbraw/zinc/79/03/44/563790344.db2.gz SFURVKOUIZUROD-UHFFFAOYSA-N 1 0 385.892 2.683 20 0 GFADRO COc1c(Cl)cc(NC(=O)C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)cc1Cl ZINC000415669030 563790688 /nfs/dbraw/zinc/79/06/88/563790688.db2.gz AXBRYWFUARTGEA-ZDUSSCGKSA-N 1 0 388.295 2.835 20 0 GFADRO Cc1c(Cl)cc(S(=O)(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)cc1Cl ZINC000443088905 563791295 /nfs/dbraw/zinc/79/12/95/563791295.db2.gz CDSLYSJJLGIKGV-UHFFFAOYSA-N 1 0 394.368 2.606 20 0 GFADRO Cc1cc(Cl)cc(NC(=O)C(=O)N2CC[C@](C)(C[NH3+])C2)c1Br ZINC000415694361 563791430 /nfs/dbraw/zinc/79/14/30/563791430.db2.gz QXYWLYKRGZBRAN-OAHLLOKOSA-N 1 0 388.693 2.547 20 0 GFADRO [NH3+]CC[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(Br)cc2Cl)C1 ZINC000415678760 563791470 /nfs/dbraw/zinc/79/14/70/563791470.db2.gz OYUXTUQMWBHYIC-JTQLQIEISA-N 1 0 388.693 2.628 20 0 GFADRO COC(=O)c1cc(NC(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)c(C)cc1Br ZINC000415711096 563792745 /nfs/dbraw/zinc/79/27/45/563792745.db2.gz RRXVSZSWZRXHKX-GHMZBOCLSA-N 1 0 384.274 2.936 20 0 GFADRO Cc1cc(I)cc(NC(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)c1 ZINC000415712277 563792904 /nfs/dbraw/zinc/79/29/04/563792904.db2.gz QVLYRBBZDAKXLH-NEPJUHHUSA-N 1 0 385.249 2.673 20 0 GFADRO C[C@H](CCCC[NH3+])NC(=O)C(=O)Nc1cccc2cc(Br)cnc21 ZINC000415743256 563793807 /nfs/dbraw/zinc/79/38/07/563793807.db2.gz OABVVAOWCNLGHD-LLVKDONJSA-N 1 0 393.285 2.570 20 0 GFADRO CCCC[C@@H](C[NH3+])NC(=O)Nc1ccn(-c2ccc(Br)cc2)n1 ZINC000415755646 563794231 /nfs/dbraw/zinc/79/42/31/563794231.db2.gz KCVHSTHFSRQQGL-ZDUSSCGKSA-N 1 0 380.290 3.274 20 0 GFADRO C[NH2+][C@@H]1CCN(C(=O)Nc2cc(Cl)ccc2I)C1 ZINC000415753761 563794432 /nfs/dbraw/zinc/79/44/32/563794432.db2.gz GTQQYSIJCACSRY-SECBINFHSA-N 1 0 379.629 2.770 20 0 GFADRO Cc1csc(C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)c1Br ZINC000365889364 563794989 /nfs/dbraw/zinc/79/49/89/563794989.db2.gz XGEWDENGCBYRIT-UHFFFAOYSA-N 1 0 383.315 3.535 20 0 GFADRO O=C(Nc1cc(Cl)cc(Br)c1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000415811290 563797675 /nfs/dbraw/zinc/79/76/75/563797675.db2.gz YMQGUVCPLIDLCH-AWEZNQCLSA-N 1 0 387.709 2.614 20 0 GFADRO CCOc1c(Cl)cc(NC(=O)C(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)cc1Cl ZINC000415819737 563798095 /nfs/dbraw/zinc/79/80/95/563798095.db2.gz YPSOUHSHSXDQHH-GHMZBOCLSA-N 1 0 388.295 2.964 20 0 GFADRO CCOc1c(Cl)cc(NC(=O)C(=O)NC[C@H]2CCC[C@H]([NH3+])C2)cc1Cl ZINC000415819739 563798388 /nfs/dbraw/zinc/79/83/88/563798388.db2.gz YPSOUHSHSXDQHH-QWRGUYRKSA-N 1 0 388.295 2.964 20 0 GFADRO CC(C)c1cc(Br)ccc1NC(=O)C(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000415827240 563798801 /nfs/dbraw/zinc/79/88/01/563798801.db2.gz CQBKKUIIPSDFFR-WCQYABFASA-N 1 0 382.302 2.755 20 0 GFADRO [NH3+]C[C@H]1CC[C@H](NC(=O)C(=O)Nc2cccc(Cl)c2SCC(F)F)C1 ZINC000415841972 563798934 /nfs/dbraw/zinc/79/89/34/563798934.db2.gz RDKZKLQIZCZZLX-UWVGGRQHSA-N 1 0 391.871 2.879 20 0 GFADRO Cc1ccc(-c2csc(NC(=O)C(=O)N3C[C@@H](C)[C@](C)(C[NH3+])C3)n2)s1 ZINC000415838823 563799152 /nfs/dbraw/zinc/79/91/52/563799152.db2.gz IBWVKPKMHWYXOI-BMLIUANNSA-N 1 0 378.523 2.562 20 0 GFADRO [NH3+]CC[C@H](NC(=O)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(F)(F)F ZINC000415841384 563799201 /nfs/dbraw/zinc/79/92/01/563799201.db2.gz QPOGNFMYTTXDGC-VIFPVBQESA-N 1 0 391.699 2.693 20 0 GFADRO Cc1cc(NC(=O)C(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)ccc1Br ZINC000415855550 563799522 /nfs/dbraw/zinc/79/95/22/563799522.db2.gz OVWCYEWATKRGAW-KBPBESRZSA-N 1 0 394.313 2.544 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1Br ZINC000415882903 563800243 /nfs/dbraw/zinc/80/02/43/563800243.db2.gz XNIGCZGIMBQKBX-MELADBBJSA-N 1 0 394.313 2.509 20 0 GFADRO CC(C)Sc1ccc(Cl)cc1NC(=O)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000415895852 563800574 /nfs/dbraw/zinc/80/05/74/563800574.db2.gz QBKZWADECPXQEH-OLZOCXBDSA-N 1 0 381.929 2.847 20 0 GFADRO CN(Cc1ccc(Br)o1)C(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2 ZINC000415951172 563800818 /nfs/dbraw/zinc/80/08/18/563800818.db2.gz CBNMNPQIEQROPK-LLVKDONJSA-N 1 0 379.258 2.917 20 0 GFADRO O=C(NCCCn1cc(Br)cn1)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000415962318 563800919 /nfs/dbraw/zinc/80/09/19/563800919.db2.gz SWAXGKBXDDTEAQ-UHFFFAOYSA-N 1 0 396.264 2.642 20 0 GFADRO [NH3+]Cc1cc(NC(=O)N(CCO)[C@@H]2CCCSC2)cc(C(F)(F)F)c1 ZINC000415975303 563801057 /nfs/dbraw/zinc/80/10/57/563801057.db2.gz SQAOXNPJNKWIEK-CQSZACIVSA-N 1 0 377.432 2.886 20 0 GFADRO Cc1ccc(I)cc1C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000366221276 563801860 /nfs/dbraw/zinc/80/18/60/563801860.db2.gz IEDGRRAUVLWSGC-KBPBESRZSA-N 1 0 384.261 2.956 20 0 GFADRO CC[C@@H](C)[C@H](NC(=O)C[NH2+][C@H](C)c1ccc(Br)s1)C(=O)OC ZINC000443337649 563802206 /nfs/dbraw/zinc/80/22/06/563802206.db2.gz VLRKDEMIRUCKOI-RULNRJAQSA-N 1 0 391.331 2.865 20 0 GFADRO Cc1c(Cl)cccc1NC(=O)CCNC(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000416017603 563802572 /nfs/dbraw/zinc/80/25/72/563802572.db2.gz YCAWEFGUFGBRKY-LBPRGKRZSA-N 1 0 380.798 2.556 20 0 GFADRO Cc1occc1C(=O)N1CCC([NH2+][C@@H](C)Cn2cc(Br)cn2)CC1 ZINC000366244094 563802791 /nfs/dbraw/zinc/80/27/91/563802791.db2.gz UZTKUJBHJCXMFZ-LBPRGKRZSA-N 1 0 395.301 2.830 20 0 GFADRO CN1CC[C@H](NC(=O)N[C@@H](CC[NH3+])C(F)(F)F)[C@H]1c1ccc(Cl)cc1 ZINC000416028497 563803098 /nfs/dbraw/zinc/80/30/98/563803098.db2.gz JZPGPOOADFFOAB-MELADBBJSA-N 1 0 378.826 2.664 20 0 GFADRO [NH3+]CC[C@H](NC(=O)N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1)C(F)(F)F ZINC000416036363 563803364 /nfs/dbraw/zinc/80/33/64/563803364.db2.gz YEYCIRFRPQMHCY-RNCFNFMXSA-N 1 0 382.789 2.637 20 0 GFADRO CN(CCc1cccc(Br)c1)C(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000416040460 563804007 /nfs/dbraw/zinc/80/40/07/563804007.db2.gz HIQOSIIAOFZLHX-GFCCVEGCSA-N 1 0 382.224 2.913 20 0 GFADRO OCC[NH+]1CCC(CNc2ccnc3c(Br)ccc(F)c23)CC1 ZINC000443522277 563807895 /nfs/dbraw/zinc/80/78/95/563807895.db2.gz YIPMCSOOQARLQF-UHFFFAOYSA-N 1 0 382.277 2.675 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCc2c[nH]nc2C1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000366444995 563808233 /nfs/dbraw/zinc/80/82/33/563808233.db2.gz HKVJENDVJBZICS-WCBMZHEXSA-N 1 0 389.308 2.572 20 0 GFADRO C[C@H](C[NH+]1CCN(C)CC1)Nc1ccnc2c(Br)ccc(F)c12 ZINC000443521238 563808236 /nfs/dbraw/zinc/80/82/36/563808236.db2.gz HXVKPJIETJTKCY-GFCCVEGCSA-N 1 0 381.293 2.606 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2C(=O)c1cc(F)ccc1Br ZINC000366428968 563808269 /nfs/dbraw/zinc/80/82/69/563808269.db2.gz MNSHVUCOZOKXDP-UHOFOFEASA-N 1 0 385.277 2.912 20 0 GFADRO C[C@@H]([NH2+][C@@H]1CCc2nccn2C1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000366462408 563809094 /nfs/dbraw/zinc/80/90/94/563809094.db2.gz DRHVWAIPTFEDNI-NXEZZACHSA-N 1 0 389.308 2.503 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCc2nccn2C1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000366462413 563809171 /nfs/dbraw/zinc/80/91/71/563809171.db2.gz DRHVWAIPTFEDNI-VHSXEESVSA-N 1 0 389.308 2.503 20 0 GFADRO CCc1ncsc1NC(=O)C(=O)NC[C@@H]1CC[N@H+](C)[C@@H]1c1cccs1 ZINC000366455125 563809296 /nfs/dbraw/zinc/80/92/96/563809296.db2.gz YNAMMRQPDGNUEU-FZMZJTMJSA-N 1 0 378.523 2.515 20 0 GFADRO CC[NH+](CC)Cc1ccc(CNS(=O)(=O)c2cc(Cl)cnc2N)cc1 ZINC000443689922 563809574 /nfs/dbraw/zinc/80/95/74/563809574.db2.gz DIZZNRVIIPISMZ-UHFFFAOYSA-N 1 0 382.917 2.638 20 0 GFADRO O=C(N[C@@H]1CC12CC[NH2+]CC2)c1cnn(-c2cccc(Br)c2)c1 ZINC000366468752 563810068 /nfs/dbraw/zinc/81/00/68/563810068.db2.gz FLKRMNISOKEGHQ-OAHLLOKOSA-N 1 0 375.270 2.507 20 0 GFADRO COc1ccc(Br)cc1C1(C(=O)N2CC[NH+]3CCC2CC3)CC1 ZINC000416219091 563810643 /nfs/dbraw/zinc/81/06/43/563810643.db2.gz WEDVKVVGCVFXDO-UHFFFAOYSA-N 1 0 379.298 2.796 20 0 GFADRO CC[N@H+](CCNS(=O)(=O)c1ccc(Br)c(Cl)c1)C1CC1 ZINC000443748647 563810995 /nfs/dbraw/zinc/81/09/95/563810995.db2.gz WCGMRFFLAFXVOO-UHFFFAOYSA-N 1 0 381.723 2.865 20 0 GFADRO C[C@@H]1CN(C(=O)CCCOc2cccc(Br)c2)[C@@H](C)C[N@@H+]1CCO ZINC000416290380 563813966 /nfs/dbraw/zinc/81/39/66/563813966.db2.gz GQINHJQMGQKRQQ-CABCVRRESA-N 1 0 399.329 2.522 20 0 GFADRO CC1(C)CCC[N@H+](CCNc2ccc(S(N)(=O)=O)cc2C(F)(F)F)C1 ZINC000443962051 563816440 /nfs/dbraw/zinc/81/64/40/563816440.db2.gz LRHIQTSPXHGJLT-UHFFFAOYSA-N 1 0 379.448 2.887 20 0 GFADRO CC1(C)CCC[N@H+](CCNc2ccc(S(N)(=O)=O)c(C(F)(F)F)c2)C1 ZINC000443959536 563816457 /nfs/dbraw/zinc/81/64/57/563816457.db2.gz NIQZVVJZELISRI-UHFFFAOYSA-N 1 0 379.448 2.887 20 0 GFADRO CC(C)NC(=O)C[NH2+]C1(Cc2ccc(F)cc2Br)CCOCC1 ZINC000293531573 563817357 /nfs/dbraw/zinc/81/73/57/563817357.db2.gz JKVHONNPZCJOAJ-UHFFFAOYSA-N 1 0 387.293 2.794 20 0 GFADRO CCOC1CC(O)(C[NH2+]Cc2cc(Br)c3c(c2)OCCCO3)C1 ZINC000444011241 563817879 /nfs/dbraw/zinc/81/78/79/563817879.db2.gz RWYAVZXVFLWYAH-UHFFFAOYSA-N 1 0 386.286 2.630 20 0 GFADRO C[C@@H]1CN(CC(=O)Nc2c(F)cc(F)cc2Br)C[C@H](C)[N@H+]1C ZINC000293559034 563818638 /nfs/dbraw/zinc/81/86/38/563818638.db2.gz ZYKHAUGILVPFKC-AOOOYVTPSA-N 1 0 376.245 2.690 20 0 GFADRO Cc1cc(S(=O)(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)c(F)cc1Br ZINC000416374902 563819095 /nfs/dbraw/zinc/81/90/95/563819095.db2.gz SPGFJTHWBQWPQM-NSHDSACASA-N 1 0 391.306 2.659 20 0 GFADRO CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)N[C@H](C)CCCC[NH3+] ZINC000293597169 563820457 /nfs/dbraw/zinc/82/04/57/563820457.db2.gz ZMTHPUUSDXEQRY-CJNGLKHVSA-N 1 0 385.961 2.825 20 0 GFADRO C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)[C@H]2C[C@]23CC[NH2+]C3)CC1 ZINC000444269382 563826532 /nfs/dbraw/zinc/82/65/32/563826532.db2.gz OJKZFANCALGECW-BJZITVGISA-N 1 0 392.341 2.654 20 0 GFADRO Cc1cc(S(=O)(=O)N2C[C@H]([NH3+])Cc3ccccc32)c(F)cc1Br ZINC000416429378 563828063 /nfs/dbraw/zinc/82/80/63/563828063.db2.gz YFZDWCXFWLHYHR-GFCCVEGCSA-N 1 0 399.285 2.975 20 0 GFADRO COc1cc(Br)c(C[N@@H+]2CCCC[C@H]2[C@@H]2CNC(=O)C2)cc1OC ZINC000367037606 563828598 /nfs/dbraw/zinc/82/85/98/563828598.db2.gz LRXRFBAQLIDNCP-WFASDCNBSA-N 1 0 397.313 2.957 20 0 GFADRO COc1cccc([C@H]2C[C@@H](O)CN2CC(=O)NCc2ccc(Cl)s2)c1 ZINC000367087494 563830317 /nfs/dbraw/zinc/83/03/17/563830317.db2.gz PZNDJUJOUOTLCG-CZUORRHYSA-N 1 0 380.897 2.834 20 0 GFADRO C[NH+](C)CCn1nccc1NC(=O)c1cc2ccc(Br)cc2[nH]1 ZINC000294107247 563831608 /nfs/dbraw/zinc/83/16/08/563831608.db2.gz OSXALECCAMYWCZ-UHFFFAOYSA-N 1 0 376.258 2.941 20 0 GFADRO COc1cc(OC)c(S(=O)(=O)NCC[C@@H](C)[NH+]2CCCCC2)cc1Cl ZINC000416461229 563831974 /nfs/dbraw/zinc/83/19/74/563831974.db2.gz YUIOZWJSPUGONI-CYBMUJFWSA-N 1 0 390.933 2.900 20 0 GFADRO CN1CCC([NH+]2CCC(CCNC(=O)CSCC(F)(F)F)CC2)CC1 ZINC000367139090 563832627 /nfs/dbraw/zinc/83/26/27/563832627.db2.gz IMDKOZVXNPKQIU-UHFFFAOYSA-N 1 0 381.508 2.594 20 0 GFADRO COc1cc(S(=O)(=O)N2C[C@@H]([NH+]3CCCC3)[C@@H](SC)C2)ccc1Cl ZINC000416465867 563832885 /nfs/dbraw/zinc/83/28/85/563832885.db2.gz NICHEMAXCLYRQO-ZBFHGGJFSA-N 1 0 390.958 2.549 20 0 GFADRO COc1cc(OC)c(S(=O)(=O)NCC(C)(C)C[NH+]2CCCC2)cc1Cl ZINC000416468557 563833782 /nfs/dbraw/zinc/83/37/82/563833782.db2.gz GPCYKTKXJIEUEB-UHFFFAOYSA-N 1 0 390.933 2.758 20 0 GFADRO C[N@@H+]1CC[C@H]2CCN(S(=O)(=O)c3c(Cl)cccc3Br)C[C@@H]21 ZINC000367178478 563834589 /nfs/dbraw/zinc/83/45/89/563834589.db2.gz JHTIYNMKDONBCN-GWCFXTLKSA-N 1 0 393.734 2.817 20 0 GFADRO C[C@H]1[C@H](NC(=O)Nc2cc(Br)cnc2-n2cccn2)CCC[N@@H+]1C ZINC000444926389 563839647 /nfs/dbraw/zinc/83/96/47/563839647.db2.gz RIXQRMNMJVPAHY-WCQYABFASA-N 1 0 393.289 2.634 20 0 GFADRO C[C@H]1C[C@H](NC(=O)Nc2cc(Br)cnc2-n2cccn2)CC[N@@H+]1C ZINC000444927828 563839689 /nfs/dbraw/zinc/83/96/89/563839689.db2.gz DQUZPCYNBCHJQE-WCQYABFASA-N 1 0 393.289 2.634 20 0 GFADRO C[N@H+](CCCCNS(=O)(=O)c1cc(Br)ccc1F)C1CC1 ZINC000416501472 563840235 /nfs/dbraw/zinc/84/02/35/563840235.db2.gz LLSURCHDTPERCM-UHFFFAOYSA-N 1 0 379.295 2.741 20 0 GFADRO COc1cc(OC)c(S(=O)(=O)NCCCC[N@H+](C)C2CC2)cc1Cl ZINC000416508653 563840732 /nfs/dbraw/zinc/84/07/32/563840732.db2.gz RWBNHYQTBQLWGY-UHFFFAOYSA-N 1 0 376.906 2.510 20 0 GFADRO Cc1cc(S(=O)(=O)NCC2CC[NH+](C3CC3)CC2)ccc1Br ZINC000445063604 563842478 /nfs/dbraw/zinc/84/24/78/563842478.db2.gz HGWVJBORHASMJU-UHFFFAOYSA-N 1 0 387.343 2.910 20 0 GFADRO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@H]1CCC(=O)N[C@@H]1C1CC1 ZINC000367439444 563844954 /nfs/dbraw/zinc/84/49/54/563844954.db2.gz UPPJQRAYOYKOAZ-DJCROIMJSA-N 1 0 394.313 2.813 20 0 GFADRO O=C1C[C@H]([C@H]2CCCC[N@H+]2Cc2cc(Br)c3c(c2)OCCO3)CN1 ZINC000367543155 563847556 /nfs/dbraw/zinc/84/75/56/563847556.db2.gz YHPUTXIJQXATKN-DZGCQCFKSA-N 1 0 395.297 2.711 20 0 GFADRO Cc1cc(Br)ccc1S(=O)(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000416557771 563848329 /nfs/dbraw/zinc/84/83/29/563848329.db2.gz NVCKSBSEZDSCKN-CYBMUJFWSA-N 1 0 375.332 2.768 20 0 GFADRO CSc1ccc([C@H](CNC(=O)COCc2nnc(C)s2)[NH+](C)C)cc1 ZINC000294632830 563849102 /nfs/dbraw/zinc/84/91/02/563849102.db2.gz ZMLRNKFSBDMABT-HNNXBMFYSA-N 1 0 380.539 2.504 20 0 GFADRO C[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2cccnc2Cl)[C@@H]1c1cccs1 ZINC000367621275 563850476 /nfs/dbraw/zinc/85/04/76/563850476.db2.gz ANOVLYQUXBICFN-SMDDNHRTSA-N 1 0 378.885 2.544 20 0 GFADRO COCc1ncc(C(=O)N[C@H]2CC[N@H+](Cc3cnc(C)s3)C[C@H]2C)s1 ZINC000367614229 563850639 /nfs/dbraw/zinc/85/06/39/563850639.db2.gz FXFFSIXWEZEAOQ-RISCZKNCSA-N 1 0 380.539 2.695 20 0 GFADRO O=C(N[C@H]1CCc2[nH]cnc2C1)N1CCc2cc(Br)cc(F)c21 ZINC000367745082 563853461 /nfs/dbraw/zinc/85/34/61/563853461.db2.gz CGVDCYWGPPSFAV-NSHDSACASA-N 1 0 379.233 2.941 20 0 GFADRO COc1ccc(S(=O)(=O)N2C[C@H](SC)[C@@H]([NH+]3CCCC3)C2)cc1Cl ZINC000445742817 563853774 /nfs/dbraw/zinc/85/37/74/563853774.db2.gz KXSPZGGKCIHSBK-HOCLYGCPSA-N 1 0 390.958 2.549 20 0 GFADRO C[C@@H]1CN(CCOc2cc(F)cc(Br)c2)CC[N@@H+]1CC(C)(C)O ZINC000445993897 563856986 /nfs/dbraw/zinc/85/69/86/563856986.db2.gz OFERTQRQMQQZGZ-CYBMUJFWSA-N 1 0 389.309 2.744 20 0 GFADRO COCCC[N@H+](CCO)CC(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000446066934 563858009 /nfs/dbraw/zinc/85/80/09/563858009.db2.gz NDGOSTOKJAUWBE-QGZVFWFLSA-N 1 0 389.323 2.988 20 0 GFADRO C[C@H](CNC(=O)[C@H]1CC(=O)Nc2ccc(Br)cc21)C[NH+]1CCCC1 ZINC000446102392 563858487 /nfs/dbraw/zinc/85/84/87/563858487.db2.gz FQUAJKZDMYKQRO-DOMZBBRYSA-N 1 0 394.313 2.723 20 0 GFADRO O=C([C@@H]1COc2ccc(Br)cc21)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000368025159 563861776 /nfs/dbraw/zinc/86/17/76/563861776.db2.gz ZEBJAUHDXVCFQJ-APHBMKBZSA-N 1 0 379.298 2.916 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)N(C)CC[C@@H]([NH3+])C(C)C ZINC000416823428 563861898 /nfs/dbraw/zinc/86/18/98/563861898.db2.gz HHJCPCJQEGITSR-CQSZACIVSA-N 1 0 399.333 2.711 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000416830207 563862042 /nfs/dbraw/zinc/86/20/42/563862042.db2.gz ODYGSWNBIQLZQU-TZMCWYRMSA-N 1 0 397.317 2.513 20 0 GFADRO CC(C)[C@]1(CO)CC[N@H+](CC(=O)N(C)Cc2ccccc2Br)C1 ZINC000368067709 563863518 /nfs/dbraw/zinc/86/35/18/563863518.db2.gz ABXRUDAOYBOMLB-GOSISDBHSA-N 1 0 383.330 2.748 20 0 GFADRO O=S(=O)(c1ccc(F)cc1C(F)(F)F)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000368108268 563863770 /nfs/dbraw/zinc/86/37/70/563863770.db2.gz JEBIAWOSGUEHAT-GFCCVEGCSA-N 1 0 380.407 2.855 20 0 GFADRO CC(C)[C@H](NC(=O)c1ccccc1Br)C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000446403602 563863830 /nfs/dbraw/zinc/86/38/30/563863830.db2.gz XQQUASFTQMFDQQ-XEZPLFJOSA-N 1 0 396.329 2.590 20 0 GFADRO C[C@H](C(F)(F)F)S(=O)(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000368098510 563864201 /nfs/dbraw/zinc/86/42/01/563864201.db2.gz JXDANPJHRJJGAI-VNQPRFMTSA-N 1 0 376.444 2.721 20 0 GFADRO CCc1c(C(=O)N2CC[C@H]3C[NH2+]C[C@H]32)cnn1-c1ccc(Br)cc1 ZINC000368381396 563869621 /nfs/dbraw/zinc/86/96/21/563869621.db2.gz XTBDDUSTPLLVHF-YVEFUNNKSA-N 1 0 389.297 2.631 20 0 GFADRO O=C(NCCC[NH2+]Cc1cccnc1)NCc1cc(F)ccc1Br ZINC000417170146 563869962 /nfs/dbraw/zinc/86/99/62/563869962.db2.gz CMQYTCWIDUGDQM-UHFFFAOYSA-N 1 0 395.276 2.962 20 0 GFADRO C[NH2+]C[C@H]1CCCN1C(=O)N[C@H](C)c1cc2c(cc1Br)OCCO2 ZINC000417173151 563870046 /nfs/dbraw/zinc/87/00/46/563870046.db2.gz GWNRXZVILJAQNK-VXGBXAGGSA-N 1 0 398.301 2.675 20 0 GFADRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)c3cc(F)ccc3I)C[C@H]21 ZINC000368482426 563872406 /nfs/dbraw/zinc/87/24/06/563872406.db2.gz MODWDXAIBICPPX-MRCXROJRSA-N 1 0 388.224 2.630 20 0 GFADRO C[C@H]1C[C@H]([NH2+]Cc2ccc(S(C)(=O)=O)c(C(F)(F)F)c2)CN1C1CC1 ZINC000447058059 563873547 /nfs/dbraw/zinc/87/35/47/563873547.db2.gz GDVOYSSWYHMMID-AAEUAGOBSA-N 1 0 376.444 2.824 20 0 GFADRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(S(C)(=O)=O)c(C(F)(F)F)c2)CN1C1CC1 ZINC000447058061 563873599 /nfs/dbraw/zinc/87/35/99/563873599.db2.gz GDVOYSSWYHMMID-DGCLKSJQSA-N 1 0 376.444 2.824 20 0 GFADRO [NH3+]C[C@@H](NC(=O)NCc1cn2cc(Br)ccc2n1)C1CCCCC1 ZINC000417216588 563873676 /nfs/dbraw/zinc/87/36/76/563873676.db2.gz JOTSPHZZFPIUHL-OAHLLOKOSA-N 1 0 394.317 2.804 20 0 GFADRO CC1CC[NH+](CC(=O)NCc2cnn(-c3ccc(Br)cc3)c2)CC1 ZINC000447072650 563874246 /nfs/dbraw/zinc/87/42/46/563874246.db2.gz MJQUSYUXTNAGKW-UHFFFAOYSA-N 1 0 391.313 2.983 20 0 GFADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)c3cc(=O)[nH]c4ccc(Br)cc43)C[C@@H]21 ZINC000368592419 563874580 /nfs/dbraw/zinc/87/45/80/563874580.db2.gz NXEWUFLRLOXTAP-BZNIZROVSA-N 1 0 390.281 2.869 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)NC[C@H]2CCN(c3cccc(Br)c3)C2)C1 ZINC000417257644 563875409 /nfs/dbraw/zinc/87/54/09/563875409.db2.gz CVGVFOOXTORAJM-RRFJBIMHSA-N 1 0 395.345 2.654 20 0 GFADRO O=C(NCCc1cc(Br)ccc1F)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000417294500 563877571 /nfs/dbraw/zinc/87/75/71/563877571.db2.gz IHXCOXARKJTYAW-QGZVFWFLSA-N 1 0 384.293 2.916 20 0 GFADRO CCCC[C@H](C[NH3+])NC(=O)NCc1cc(Br)c2c(c1)OCCO2 ZINC000417301796 563877628 /nfs/dbraw/zinc/87/76/28/563877628.db2.gz PYVSGVSSTFBTJW-GFCCVEGCSA-N 1 0 386.290 2.537 20 0 GFADRO [NH3+]C[C@H]1CC[C@H](CNC(=O)NCCOc2ccc(Br)cc2)CC1 ZINC000417322957 563878204 /nfs/dbraw/zinc/87/82/04/563878204.db2.gz WWRNFMPGYKWETK-HDJSIYSDSA-N 1 0 384.318 2.892 20 0 GFADRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)NCCOc3ccc(Br)cc3)C[C@@H]21 ZINC000417318830 563878315 /nfs/dbraw/zinc/87/83/15/563878315.db2.gz MLBUWAWIZYLLAM-VBNZEHGJSA-N 1 0 382.302 2.597 20 0 GFADRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)NCc1cc(Br)ccc1OC(F)F ZINC000417402793 563879321 /nfs/dbraw/zinc/87/93/21/563879321.db2.gz FKCJQULLNZYSNW-JOYOIKCWSA-N 1 0 392.244 2.848 20 0 GFADRO COC[C@H](C)OC[C@@H](O)C[N@@H+]1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000447309808 563879654 /nfs/dbraw/zinc/87/96/54/563879654.db2.gz RHRJMMLLEHGANG-YDHLFZDLSA-N 1 0 378.296 2.859 20 0 GFADRO CO[C@H]1CCN(C(=O)NCC(C)(C)c2cccc(Br)c2)[C@H](C[NH3+])C1 ZINC000417429082 563880230 /nfs/dbraw/zinc/88/02/30/563880230.db2.gz MRKOIBMSWOQJEI-HOTGVXAUSA-N 1 0 398.345 2.874 20 0 GFADRO [NH3+]CC[C@@H]1CCCN(C(=O)N[C@@H]2CCN(c3ccc(Br)cc3)C2)C1 ZINC000417485670 563881035 /nfs/dbraw/zinc/88/10/35/563881035.db2.gz WYANWTXPOJIYMA-GOEBONIOSA-N 1 0 395.345 2.798 20 0 GFADRO Cc1cc(NC(=O)N2CCC[N@@H+]([C@@H](C)CO)CC2)cc(F)c1Br ZINC000417528330 563881997 /nfs/dbraw/zinc/88/19/97/563881997.db2.gz PJZVHSZXYVRFHM-LBPRGKRZSA-N 1 0 388.281 2.817 20 0 GFADRO O=C(C[C@H]1Sc2ccc(Cl)cc2NC1=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000368926089 563882170 /nfs/dbraw/zinc/88/21/70/563882170.db2.gz MVHNZFAKAVXSHT-CZUORRHYSA-N 1 0 379.913 2.840 20 0 GFADRO C[C@H](CO)[N@@H+]1CCCN(C(=O)[C@H](C)c2ccc(Br)s2)CC1 ZINC000368975868 563883770 /nfs/dbraw/zinc/88/37/70/563883770.db2.gz SOAQSVOONHPBCB-VXGBXAGGSA-N 1 0 375.332 2.529 20 0 GFADRO C[NH+](C)CCN1CCCN(C(=O)c2cc3cc(Br)ccc3[nH]2)CC1 ZINC000369013263 563884211 /nfs/dbraw/zinc/88/42/11/563884211.db2.gz ZABLRHJGSWSBJW-UHFFFAOYSA-N 1 0 393.329 2.640 20 0 GFADRO C[C@@H]1C[N@@H+](C2CCN(C(=O)Cc3ccccc3Br)CC2)CCO1 ZINC000369021096 563885155 /nfs/dbraw/zinc/88/51/55/563885155.db2.gz HPUXZNOTOSOBKO-CQSZACIVSA-N 1 0 381.314 2.703 20 0 GFADRO CCC([NH3+])(CC)CNC(=O)N[C@H]1CCN(c2ccccc2Br)C1 ZINC000417601182 563886269 /nfs/dbraw/zinc/88/62/69/563886269.db2.gz KYMVKHLYOIOSEG-ZDUSSCGKSA-N 1 0 383.334 2.845 20 0 GFADRO O=C(NCC1(c2cccc(Br)c2)CC1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000417665566 563886703 /nfs/dbraw/zinc/88/67/03/563886703.db2.gz ZFLJDUXVXKSNOJ-BBRMVZONSA-N 1 0 378.314 2.874 20 0 GFADRO CO[C@H]1CCN(C(=O)NCC2(c3ccccc3Br)CC2)[C@H](C[NH3+])C1 ZINC000417724525 563887504 /nfs/dbraw/zinc/88/75/04/563887504.db2.gz DWCPDUYXXZNPPM-KBPBESRZSA-N 1 0 396.329 2.628 20 0 GFADRO Cc1cc(C[NH+]2CCC(C(=O)Nc3ccc(Br)cn3)CC2)n(C)n1 ZINC000417741199 563888624 /nfs/dbraw/zinc/88/86/24/563888624.db2.gz YTZMZFNJINZKOH-UHFFFAOYSA-N 1 0 392.301 2.737 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2ccc(OC(F)F)c(F)c2)C[C@H]1C ZINC000447868785 563888781 /nfs/dbraw/zinc/88/87/81/563888781.db2.gz MWPQGQKKZBIRRN-VXGBXAGGSA-N 1 0 380.432 2.920 20 0 GFADRO [NH3+]C1(CNC(=O)NC2CCN(Cc3ccc(Br)cc3)CC2)CCC1 ZINC000417882181 563890265 /nfs/dbraw/zinc/89/02/65/563890265.db2.gz FWYNUILXRWAOHA-UHFFFAOYSA-N 1 0 395.345 2.594 20 0 GFADRO CC[C@@H](Cc1ccccc1Br)NC(=O)NC[C@@]1(COC)CCC[NH2+]1 ZINC000417882300 563890299 /nfs/dbraw/zinc/89/02/99/563890299.db2.gz GZQZWCJIUNGHDU-MAUKXSAKSA-N 1 0 398.345 2.838 20 0 GFADRO C[C@H](NC(=O)NC[C@H]([NH3+])C1CC1)c1nc(-c2ccc(Br)cc2)no1 ZINC000417895557 563890907 /nfs/dbraw/zinc/89/09/07/563890907.db2.gz ORFMGQDKXPKVNG-ZANVPECISA-N 1 0 394.273 2.597 20 0 GFADRO CCC(CC)[C@H](C[NH2+]Cc1c(Br)c(C)nn1C)N1CCOCC1 ZINC000447932487 563891367 /nfs/dbraw/zinc/89/13/67/563891367.db2.gz SELRMSYWVASSBQ-HNNXBMFYSA-N 1 0 387.366 2.718 20 0 GFADRO C[C@@H](Cc1ccc(F)c(Br)c1)NC(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000417905289 563891607 /nfs/dbraw/zinc/89/16/07/563891607.db2.gz XRFXRRPSUBYCFR-TVQRCGJNSA-N 1 0 394.235 2.816 20 0 GFADRO O=C(NCCC[NH2+]Cc1cccnc1)NCc1ccc(O)c(Br)c1 ZINC000417904957 563891660 /nfs/dbraw/zinc/89/16/60/563891660.db2.gz WZFZHQHKZYETDD-UHFFFAOYSA-N 1 0 393.285 2.529 20 0 GFADRO CCCOc1c(Br)cc(C[NH2+][C@H](CO)[C@@H]2CCCO2)cc1OC ZINC000447989255 563892566 /nfs/dbraw/zinc/89/25/66/563892566.db2.gz OXVYKGFOVDPVBW-CABCVRRESA-N 1 0 388.302 2.876 20 0 GFADRO COCCC[N@@H+]1CCCN(C(=O)Cc2ccc(Br)s2)CC1 ZINC000369334630 563892650 /nfs/dbraw/zinc/89/26/50/563892650.db2.gz HQXDXLHYBXTOJJ-UHFFFAOYSA-N 1 0 375.332 2.624 20 0 GFADRO CO[C@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)NCC[C@H]1CCC[NH2+]1 ZINC000417970879 563893025 /nfs/dbraw/zinc/89/30/25/563893025.db2.gz ALYDZTRRWVYVKK-WQVCFCJDSA-N 1 0 384.318 2.966 20 0 GFADRO COC(=O)CSCCC(=O)NC[C@@H]1CC[N@H+](C)[C@@H]1c1cccc(Cl)c1 ZINC000369358006 563893923 /nfs/dbraw/zinc/89/39/23/563893923.db2.gz JKFSYALRUSIFLA-KBXCAEBGSA-N 1 0 384.929 2.745 20 0 GFADRO COc1cc(Br)ccc1CCCNC(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000417993529 563894190 /nfs/dbraw/zinc/89/41/90/563894190.db2.gz AODGYRLJPNDNDH-HUUCEWRRSA-N 1 0 396.329 2.641 20 0 GFADRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NCCc1c[nH]c2ccc(Br)cc12 ZINC000417994603 563894320 /nfs/dbraw/zinc/89/43/20/563894320.db2.gz CMFCWDKLHCTLLF-ABAIWWIYSA-N 1 0 379.302 2.770 20 0 GFADRO COc1cc(Br)ccc1CCCNC(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000417999437 563894554 /nfs/dbraw/zinc/89/45/54/563894554.db2.gz IALOBMKDIWMDDD-LSDHHAIUSA-N 1 0 384.318 2.959 20 0 GFADRO C[C@@H]1CN(C(=O)NCCc2c[nH]c3ccc(Br)cc23)CC[C@@H]1[NH3+] ZINC000418000679 563894594 /nfs/dbraw/zinc/89/45/94/563894594.db2.gz JSFMWDMSCHKPDA-ABAIWWIYSA-N 1 0 379.302 2.852 20 0 GFADRO O=C(N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000418000940 563894688 /nfs/dbraw/zinc/89/46/88/563894688.db2.gz KNTBGLXXZOVCQQ-HZSPNIEDSA-N 1 0 383.323 2.823 20 0 GFADRO COc1cc(Br)ccc1CCCNC(=O)N1C[C@H](C[NH3+])C[C@@H]1C ZINC000418002706 563894740 /nfs/dbraw/zinc/89/47/40/563894740.db2.gz MGDURCCMIDVFAF-STQMWFEESA-N 1 0 384.318 2.769 20 0 GFADRO [NH3+]C[C@@H]1CCN(C(=O)NC2CCN(Cc3cc(Cl)cc(Cl)c3)CC2)C1 ZINC000417999689 563894760 /nfs/dbraw/zinc/89/47/60/563894760.db2.gz VDZVWNWHHMVULU-ZDUSSCGKSA-N 1 0 385.339 2.948 20 0 GFADRO COc1cc(Br)ccc1CCCNC(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000418012079 563894915 /nfs/dbraw/zinc/89/49/15/563894915.db2.gz XQMKWWHFGYFIDA-CYBMUJFWSA-N 1 0 384.318 2.689 20 0 GFADRO C[C@H](C[NH3+])NC(=O)NCCOc1c(Cl)cc(Br)cc1Cl ZINC000418008981 563895211 /nfs/dbraw/zinc/89/52/11/563895211.db2.gz RPRKLCZCNMSYIO-SSDOTTSWSA-N 1 0 385.089 2.781 20 0 GFADRO CN(C(=O)NCCc1c[nH]c2ccc(Br)cc12)C1CC[NH2+]CC1 ZINC000418007882 563895233 /nfs/dbraw/zinc/89/52/33/563895233.db2.gz RROSGBGNGWFHJR-UHFFFAOYSA-N 1 0 379.302 2.866 20 0 GFADRO C[C@@H](C[NH3+])CNC(=O)NCc1cc(Br)ccc1Br ZINC000418030641 563896110 /nfs/dbraw/zinc/89/61/10/563896110.db2.gz AEGFPMBRFLOWNA-QMMMGPOBSA-N 1 0 379.096 2.606 20 0 GFADRO C[C@@H]1CN(C(=O)NCc2cc(Br)ccc2Br)CC[NH2+]1 ZINC000418041522 563896303 /nfs/dbraw/zinc/89/63/03/563896303.db2.gz JWUBEKOPCJALPN-SECBINFHSA-N 1 0 391.107 2.715 20 0 GFADRO CC[C@@H]([NH3+])CNC(=O)NCc1cc(Br)ccc1Br ZINC000418036715 563896363 /nfs/dbraw/zinc/89/63/63/563896363.db2.gz GDLZTEFGULQIDN-SNVBAGLBSA-N 1 0 379.096 2.748 20 0 GFADRO O=C(NCc1cc(Br)ccc1Br)NC[C@@H]1CCC[NH2+]1 ZINC000418050377 563897010 /nfs/dbraw/zinc/89/70/10/563897010.db2.gz VXSJQBSDHVVXKV-NSHDSACASA-N 1 0 391.107 2.763 20 0 GFADRO O=C(N[C@@H](c1cc(F)cc(Br)c1)C1CC1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000418051220 563897015 /nfs/dbraw/zinc/89/70/15/563897015.db2.gz XVVOAAAHOYRJKQ-DVOMOZLQSA-N 1 0 382.277 2.900 20 0 GFADRO CCn1c(CNC(=O)N2C[C@H](C)[NH2+]C[C@H]2C)nc2cc(Br)ccc21 ZINC000418061699 563897283 /nfs/dbraw/zinc/89/72/83/563897283.db2.gz FHZTUOSFQVDUJI-NWDGAFQWSA-N 1 0 394.317 2.711 20 0 GFADRO Cc1cccc(CNC(=O)N2CCC(OCCC[NH3+])CC2)c1Br ZINC000418060270 563897332 /nfs/dbraw/zinc/89/73/32/563897332.db2.gz VYEMJMOSHRUIFC-UHFFFAOYSA-N 1 0 384.318 2.797 20 0 GFADRO C[NH2+]CCN(C)C(=O)N[C@@H](Cc1ccccn1)c1ccc(Br)cc1 ZINC000418067710 563897472 /nfs/dbraw/zinc/89/74/72/563897472.db2.gz OXCWMCDJFQDANM-KRWDZBQOSA-N 1 0 391.313 2.989 20 0 GFADRO [NH3+][C@H](CNC(=O)N[C@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O)C1CC1 ZINC000418078393 563897842 /nfs/dbraw/zinc/89/78/42/563897842.db2.gz JFXPUSCUCILXPO-KGLIPLIRSA-N 1 0 385.295 2.525 20 0 GFADRO CC(C)C[C@@H](C[NH3+])NC(=O)NCc1cnn(-c2ccc(Br)cc2)c1 ZINC000418088358 563898190 /nfs/dbraw/zinc/89/81/90/563898190.db2.gz KEIDYDXPSOZPSG-HNNXBMFYSA-N 1 0 394.317 2.807 20 0 GFADRO CCCC[C@H](C[NH3+])NC(=O)N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000418084367 563898230 /nfs/dbraw/zinc/89/82/30/563898230.db2.gz VGQJPPOFAKUKRX-TZMCWYRMSA-N 1 0 387.311 2.915 20 0 GFADRO O=C(N[C@@H]1CSc2ccc(Br)cc21)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000418090408 563898469 /nfs/dbraw/zinc/89/84/69/563898469.db2.gz CNKPROWYDAIKBC-COPLHBTASA-N 1 0 382.327 2.847 20 0 GFADRO O=C(NCCC[C@@H]1CCC[NH2+]1)N[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000418106237 563898985 /nfs/dbraw/zinc/89/89/85/563898985.db2.gz XEGAHEPALAHOGG-HOTGVXAUSA-N 1 0 395.345 2.859 20 0 GFADRO CC[C@H](NC(=O)N1CCCO[C@@H](C[NH3+])C1)c1cc(F)cc(Br)c1 ZINC000418143306 563899967 /nfs/dbraw/zinc/89/99/67/563899967.db2.gz LVQSMSUOPXUXTA-GJZGRUSLSA-N 1 0 388.281 2.799 20 0 GFADRO Cc1c2cc(Cl)ccc2sc1CNC(=O)NCCCN1CC[NH2+]CC1 ZINC000418158522 563900394 /nfs/dbraw/zinc/90/03/94/563900394.db2.gz CEPFMRFKDKNFJI-UHFFFAOYSA-N 1 0 380.945 2.958 20 0 GFADRO O=C(NCCCn1cc(Br)cn1)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000418191459 563900729 /nfs/dbraw/zinc/90/07/29/563900729.db2.gz KVYFJHJQDRPRIX-GDBMZVCRSA-N 1 0 398.349 2.599 20 0 GFADRO CC[N@H+](CCNC(=O)c1ccc(I)cc1F)C1CC1 ZINC000448895710 563902743 /nfs/dbraw/zinc/90/27/43/563902743.db2.gz LNNGAVWWFJHNMP-UHFFFAOYSA-N 1 0 376.213 2.644 20 0 GFADRO CC[NH+](CC)CCN(CCOC)C(=O)Cc1sccc1Br ZINC000448907129 563903166 /nfs/dbraw/zinc/90/31/66/563903166.db2.gz CBIJCCDQDCCENA-UHFFFAOYSA-N 1 0 377.348 2.870 20 0 GFADRO COc1cc(Br)c(C(=O)N2CCC(C[NH+](C)C)CC2)cc1OC ZINC000448976733 563904512 /nfs/dbraw/zinc/90/45/12/563904512.db2.gz VFUGTULZYRDSJU-UHFFFAOYSA-N 1 0 385.302 2.880 20 0 GFADRO CC(=O)N1CCN(CC[NH2+]Cc2cc(Cl)c(C)cc2Br)CC1 ZINC000449076483 563906473 /nfs/dbraw/zinc/90/64/73/563906473.db2.gz HRVHBCBLNXCWBO-UHFFFAOYSA-N 1 0 388.737 2.665 20 0 GFADRO C[C@H](COc1ccc(Cl)c(Cl)c1)[NH2+][C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000449101052 563907117 /nfs/dbraw/zinc/90/71/17/563907117.db2.gz STTNVZQZMNFAPC-VXGBXAGGSA-N 1 0 381.325 2.774 20 0 GFADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNCc1cccc(F)c1Br ZINC000449112812 563907120 /nfs/dbraw/zinc/90/71/20/563907120.db2.gz SVOWDHGYTSNTDS-OAHLLOKOSA-N 1 0 386.309 2.621 20 0 GFADRO CS(=O)(=O)N[C@H]1CCCC[C@@H]1[NH2+]Cc1cccc(F)c1Br ZINC000449253778 564177856 /nfs/dbraw/zinc/17/78/56/564177856.db2.gz VUVKYCCYUVIUHV-STQMWFEESA-N 1 0 379.295 2.538 20 0 GFADRO COC(=O)Cn1cc(C[NH2+]CCc2c[nH]c3cc(Cl)cc(Cl)c23)nn1 ZINC000449279598 564178704 /nfs/dbraw/zinc/17/87/04/564178704.db2.gz ROHNJXVOGAEFRZ-UHFFFAOYSA-N 1 0 382.251 2.572 20 0 GFADRO COC(=O)c1nn(-c2ccc(Cl)c(Cl)c2)cc1C[NH2+]C[C@H](O)C1CC1 ZINC000449323971 564180798 /nfs/dbraw/zinc/18/07/98/564180798.db2.gz CDMOGGBFUWHFLN-HNNXBMFYSA-N 1 0 384.263 2.826 20 0 GFADRO C[C@@H](CN1CCC[C@](O)(C(F)(F)F)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000449322809 564180987 /nfs/dbraw/zinc/18/09/87/564180987.db2.gz QOBQPJWVBFKWCZ-XJKSGUPXSA-N 1 0 379.444 2.973 20 0 GFADRO CCOC(=O)C1(C)CCC([NH2+]CCn2cc(Br)ccc2=O)CC1 ZINC000449378324 564183020 /nfs/dbraw/zinc/18/30/20/564183020.db2.gz QWVISNHUUFCUBV-UHFFFAOYSA-N 1 0 385.302 2.712 20 0 GFADRO COc1ccc(CC[C@H](C)[NH2+]CCn2cc(Br)ccc2=O)cc1O ZINC000449380617 564183081 /nfs/dbraw/zinc/18/30/81/564183081.db2.gz WNZJZPYTJNWVDL-ZDUSSCGKSA-N 1 0 395.297 2.936 20 0 GFADRO OCCCN1CCC[C@@H]([NH2+]Cc2nc(-c3ccc(Br)cc3)c[nH]2)C1 ZINC000449396764 564184448 /nfs/dbraw/zinc/18/44/48/564184448.db2.gz MWRAJMWCMCNWJE-MRXNPFEDSA-N 1 0 393.329 2.776 20 0 GFADRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)[C@H]1Cc2cc(Br)ccc2O1 ZINC000471087507 564184989 /nfs/dbraw/zinc/18/49/89/564184989.db2.gz TZHUFHRLIRGWLF-YVEFUNNKSA-N 1 0 381.314 2.941 20 0 GFADRO COc1ccc(C[N@@H+]2C[C@H](O)C[C@@H]2[C@@H]2CCCOC2)c(Br)c1O ZINC000449431489 564185342 /nfs/dbraw/zinc/18/53/42/564185342.db2.gz DLCQVXSYVHXPFW-MGPQQGTHSA-N 1 0 386.286 2.525 20 0 GFADRO COC(=O)[C@@H]1CCCCC[C@@H]1[NH2+]Cc1ncc(I)s1 ZINC000449412178 564185682 /nfs/dbraw/zinc/18/56/82/564185682.db2.gz BPDUIWMJJUTYNR-ZJUUUORDSA-N 1 0 394.278 2.959 20 0 GFADRO COC[C@@]1(CNC(=O)Cn2c(C)c(Br)c3ccccc32)CCC[NH2+]1 ZINC000563339811 564186551 /nfs/dbraw/zinc/18/65/51/564186551.db2.gz SYGPLFXLGBWDEL-SFHVURJKSA-N 1 0 394.313 2.597 20 0 GFADRO CC[C@@H](CNS(C)(=O)=O)[NH2+]Cc1ccc(Br)cc1SC ZINC000449443898 564187061 /nfs/dbraw/zinc/18/70/61/564187061.db2.gz WQWHOPANATYWOX-LBPRGKRZSA-N 1 0 381.361 2.588 20 0 GFADRO C[NH+](C)CCN(C(=O)c1cc(=O)[nH]c2ccc(Br)cc21)C1CC1 ZINC000505659653 564187631 /nfs/dbraw/zinc/18/76/31/564187631.db2.gz LFAFFDWPWOAEJX-UHFFFAOYSA-N 1 0 378.270 2.869 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[N@@H+]1CC[C@@H](OC)[C@@H](C)C1 ZINC000449492921 564188756 /nfs/dbraw/zinc/18/87/56/564188756.db2.gz CUQMRTMHBJMYNP-HEHGZKQESA-N 1 0 399.329 2.819 20 0 GFADRO COC(=O)c1cc(C[NH2+]C[C@@H](CO)Cc2ccc(C)c(Br)c2)c[nH]1 ZINC000449600000 564191127 /nfs/dbraw/zinc/19/11/27/564191127.db2.gz NAPXLGYAYCNGCU-HNNXBMFYSA-N 1 0 395.297 2.813 20 0 GFADRO COc1ccc(C[C@H](CO)C[NH2+][C@@H]2CN(C3CC3)C[C@H]2C)cc1Br ZINC000449598981 564191129 /nfs/dbraw/zinc/19/11/29/564191129.db2.gz JSXGNGAAAXBMMQ-QIIPPGSGSA-N 1 0 397.357 2.681 20 0 GFADRO COc1ccc(C[C@H](CO)C[NH2+][C@@H](C)CCn2cccn2)cc1Br ZINC000449597123 564191152 /nfs/dbraw/zinc/19/11/52/564191152.db2.gz DASYRZRZXLHKSL-HOCLYGCPSA-N 1 0 396.329 2.874 20 0 GFADRO COc1ccc(C[C@H](CO)C[NH2+]Cc2nc(C)ccc2O)cc1Br ZINC000449599958 564191193 /nfs/dbraw/zinc/19/11/93/564191193.db2.gz MTTIZZOIDNMNMB-AWEZNQCLSA-N 1 0 395.297 2.808 20 0 GFADRO O=C(NCc1cc(Cl)sc1Cl)C(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000563452388 564192613 /nfs/dbraw/zinc/19/26/13/564192613.db2.gz CUDKQTAOTWJHQE-UHFFFAOYSA-N 1 0 384.288 2.956 20 0 GFADRO C[C@H](Cn1cc(Br)cn1)Nc1ccc(N2CC[C@H]([NH+](C)C)C2)cn1 ZINC000538558508 564193402 /nfs/dbraw/zinc/19/34/02/564193402.db2.gz DONUIAMNOYNKHE-CJNGLKHVSA-N 1 0 393.333 2.682 20 0 GFADRO C[C@@H](Oc1ccc(Cl)c(Cl)c1)C(=O)NCC1([NH+](C)C)CCOCC1 ZINC000506016473 564193912 /nfs/dbraw/zinc/19/39/12/564193912.db2.gz CMMVVGZRYIIYTF-GFCCVEGCSA-N 1 0 375.296 2.988 20 0 GFADRO CC1(C)C[NH2+]CC[C@@H]1NC(=O)[C@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1 ZINC000449700012 564196647 /nfs/dbraw/zinc/19/66/47/564196647.db2.gz RYLFJMXJDSZOPQ-NHYWBVRUSA-N 1 0 384.307 2.851 20 0 GFADRO COC[C@]1(CO)CC[N@H+](Cc2cn(-c3ccc(Br)cc3)nc2C)C1 ZINC000449701981 564197977 /nfs/dbraw/zinc/19/79/77/564197977.db2.gz TXYRSHXLHOSVGN-GOSISDBHSA-N 1 0 394.313 2.774 20 0 GFADRO [NH3+]CC[C@H](NC(=O)c1cc(=O)[nH]c2ccc(Br)cc21)C(F)(F)F ZINC000449716651 564198109 /nfs/dbraw/zinc/19/81/09/564198109.db2.gz GRTPKWAPRNUHTC-NSHDSACASA-N 1 0 392.175 2.712 20 0 GFADRO CCOc1c(Br)cc(C(=O)N[C@H](CC[NH3+])C(F)(F)F)cc1OC ZINC000449724248 564198609 /nfs/dbraw/zinc/19/86/09/564198609.db2.gz SVCZMKSWRATJSD-LLVKDONJSA-N 1 0 399.207 2.866 20 0 GFADRO CCO[C@@H]1COC[C@H]1[NH2+]C1CCN(Cc2ccccc2Br)CC1 ZINC000449721977 564198804 /nfs/dbraw/zinc/19/88/04/564198804.db2.gz VBMOYXVHYXFKGC-QZTJIDSGSA-N 1 0 383.330 2.807 20 0 GFADRO CC1(C)Cc2ccc(Br)cc2[C@@H]1NC(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000563606073 564199109 /nfs/dbraw/zinc/19/91/09/564199109.db2.gz SONLZDJLCSHIQJ-ZBFHGGJFSA-N 1 0 396.329 2.750 20 0 GFADRO CC1(C)[NH2+]CC[C@H]1NC(=O)c1ccc(Cl)c(I)c1 ZINC000449748478 564199598 /nfs/dbraw/zinc/19/95/98/564199598.db2.gz BKPQNGIQHAFPPJ-LLVKDONJSA-N 1 0 378.641 2.815 20 0 GFADRO C[C@@H]1C[N@H+](CCO)CCN1Cc1ccc(Br)c(Br)c1 ZINC000449785852 564202356 /nfs/dbraw/zinc/20/23/56/564202356.db2.gz JMYGPJGBNSIMFZ-LLVKDONJSA-N 1 0 392.135 2.710 20 0 GFADRO Cc1cc(C[N@@H+]2CCC[C@@](O)(C(=O)N3CCCC3)C2)ccc1Br ZINC000449770164 564202399 /nfs/dbraw/zinc/20/23/99/564202399.db2.gz VXYHORZZKGWGQF-SFHVURJKSA-N 1 0 381.314 2.707 20 0 GFADRO C[C@H](CNC(=O)c1cn2ccc(Br)cc2n1)[N@@H+]1CCC[C@@H](C)C1 ZINC000506497521 564202951 /nfs/dbraw/zinc/20/29/51/564202951.db2.gz XWXLPPOBJNFDCB-CHWSQXEVSA-N 1 0 379.302 2.947 20 0 GFADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[N@@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000563713613 564203977 /nfs/dbraw/zinc/20/39/77/564203977.db2.gz NDHQWPSIDVPUEL-IOASZLSFSA-N 1 0 397.313 2.573 20 0 GFADRO C[C@H]([NH2+]C[C@H](O)COc1ccc2c(c1)OCO2)c1cncc(Br)c1 ZINC000563731835 564204680 /nfs/dbraw/zinc/20/46/80/564204680.db2.gz MISNLLCPOJWQGV-FZMZJTMJSA-N 1 0 395.253 2.663 20 0 GFADRO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)c2ccsc2Br)CC1 ZINC000449849314 564205870 /nfs/dbraw/zinc/20/58/70/564205870.db2.gz MYWKRYVDZXMIAH-CYBMUJFWSA-N 1 0 386.359 2.753 20 0 GFADRO C[NH+](C)C[C@@H]1CN(C(=O)COc2c(Cl)cc(Cl)cc2Cl)CCO1 ZINC000449917832 564208606 /nfs/dbraw/zinc/20/86/06/564208606.db2.gz WBZSLJLFUDAPSW-LLVKDONJSA-N 1 0 381.687 2.815 20 0 GFADRO CCC[N@H+](CC)CCNC(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000472220313 564217188 /nfs/dbraw/zinc/21/71/88/564217188.db2.gz IRXNAHRJZKGMOC-AWEZNQCLSA-N 1 0 396.329 2.650 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)c2c(F)cccc2I)CC[N@@H+]1C ZINC000472245511 564217301 /nfs/dbraw/zinc/21/73/01/564217301.db2.gz CCIIABKUMJEEHO-ZJUUUORDSA-N 1 0 376.213 2.643 20 0 GFADRO COc1ccc(C(=O)CCC(=O)N2C[C@@H]([NH+](C)C)[C@@H](SC)C2)c(Cl)c1 ZINC000507082150 564218006 /nfs/dbraw/zinc/21/80/06/564218006.db2.gz CXBLIEGALYAPOA-WBVHZDCISA-N 1 0 384.929 2.816 20 0 GFADRO COCCOc1c(Cl)cc(S(=O)(=O)N[C@H](C)CC[NH+](C)C)cc1Cl ZINC000564072765 564218645 /nfs/dbraw/zinc/21/86/45/564218645.db2.gz YYKWGIJOUNOKJL-LLVKDONJSA-N 1 0 399.340 2.637 20 0 GFADRO COc1cc(C(F)(F)F)cc(S(=O)(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000564083251 564219540 /nfs/dbraw/zinc/21/95/40/564219540.db2.gz DAPURMOUAYHTKU-FUNVUKJBSA-N 1 0 378.416 2.618 20 0 GFADRO CCC[N@H+](CC)CCNC(=O)Nc1ccc(S(C)(=O)=O)c(C(F)F)c1 ZINC000539429577 564220240 /nfs/dbraw/zinc/22/02/40/564220240.db2.gz IMCXIPWSWYCRCA-UHFFFAOYSA-N 1 0 377.457 2.881 20 0 GFADRO C[N@H+]1CC=C(CNC(=O)c2cc(I)ccc2Cl)CC1 ZINC000539444819 564220268 /nfs/dbraw/zinc/22/02/68/564220268.db2.gz SBGKUTZTICBYLA-UHFFFAOYSA-N 1 0 390.652 2.936 20 0 GFADRO COCc1ccc(C[NH2+][C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)cc1 ZINC000564116955 564221173 /nfs/dbraw/zinc/22/11/73/564221173.db2.gz QYZRAWBPDQBHMS-QGZVFWFLSA-N 1 0 380.535 2.837 20 0 GFADRO O[C@@H](C[NH2+]CCc1cnc2c(Cl)cnn2c1)COc1ccccc1Cl ZINC000564319961 564228471 /nfs/dbraw/zinc/22/84/71/564228471.db2.gz SDBYQOAZCVMUDJ-ZDUSSCGKSA-N 1 0 381.263 2.608 20 0 GFADRO Cc1ccc(Br)c(NC(=O)C(=O)N[C@H](c2nccn2C)C2CC2)c1 ZINC000507422147 564228901 /nfs/dbraw/zinc/22/89/01/564228901.db2.gz OYCVQLDFXQZJSP-AWEZNQCLSA-N 1 0 391.269 2.697 20 0 GFADRO Cc1c(C(=O)NCC[N@H+]2CC=CCC2)cnn1-c1ccc(Br)cc1 ZINC000539920536 564232355 /nfs/dbraw/zinc/23/23/55/564232355.db2.gz LZSVFKRWGJKXDI-UHFFFAOYSA-N 1 0 389.297 2.935 20 0 GFADRO C[C@H]1C[N@H+](CCCNC(=O)C(=O)Nc2cccc(Cl)c2Cl)CCCO1 ZINC000564401866 564232720 /nfs/dbraw/zinc/23/27/20/564232720.db2.gz VKFHHGYAVPKTIR-LBPRGKRZSA-N 1 0 388.295 2.549 20 0 GFADRO CCc1nc(C(=O)N[C@@H](CC[NH3+])C(F)F)nn1-c1c(Cl)cccc1Cl ZINC000564450554 564234327 /nfs/dbraw/zinc/23/43/27/564234327.db2.gz ASUKZOIJMLIZGF-JTQLQIEISA-N 1 0 392.237 2.849 20 0 GFADRO C[NH+](C)CCN1CCC(NC(=O)NCc2cc(Cl)sc2Cl)CC1 ZINC000540015767 564237359 /nfs/dbraw/zinc/23/73/59/564237359.db2.gz OBHAZWJDPSEWDV-UHFFFAOYSA-N 1 0 379.357 2.880 20 0 GFADRO CCC[N@H+](CC)CCNC(=O)NCC(=O)Nc1ccc(Br)c(C)c1 ZINC000473039299 564238938 /nfs/dbraw/zinc/23/89/38/564238938.db2.gz VDFVDVHBAOCTFQ-UHFFFAOYSA-N 1 0 399.333 2.727 20 0 GFADRO OCCC[N@@H+]1CCC[C@H](Nc2ccc(Br)c(C(F)(F)F)n2)C1 ZINC000450613698 564240483 /nfs/dbraw/zinc/24/04/83/564240483.db2.gz MIWKKGSWGISQRO-JTQLQIEISA-N 1 0 382.224 3.122 20 0 GFADRO CC[C@H]([NH2+][C@@H](C)C(=O)Nc1cccc(S(=O)(=O)NC)c1)c1cccs1 ZINC000540175598 564240824 /nfs/dbraw/zinc/24/08/24/564240824.db2.gz SSVOAXBZMPAUKV-WFASDCNBSA-N 1 0 381.523 2.724 20 0 GFADRO C[C@@H]([NH2+][C@@H]1CCCN(S(C)(=O)=O)C1)c1ccc(Br)c(F)c1 ZINC000540174254 564241182 /nfs/dbraw/zinc/24/11/82/564241182.db2.gz OPCSMBRCHPPRHV-ZYHUDNBSSA-N 1 0 379.295 2.663 20 0 GFADRO C[NH+](C)CC[C@@](C)(O)CNC(=O)c1cnn(-c2ccc(Cl)cc2Cl)c1 ZINC000473255026 564243084 /nfs/dbraw/zinc/24/30/84/564243084.db2.gz OCEWIDQZDZACOX-QGZVFWFLSA-N 1 0 385.295 2.612 20 0 GFADRO C[NH+]1CCC(CCO)(NC(=O)c2cc3c(Br)cccc3cn2)CC1 ZINC000450683938 564243869 /nfs/dbraw/zinc/24/38/69/564243869.db2.gz RDZFPFLEVUKEOF-UHFFFAOYSA-N 1 0 392.297 2.574 20 0 GFADRO CC[C@@H](c1ccc(Br)cc1)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000507873458 564245722 /nfs/dbraw/zinc/24/57/22/564245722.db2.gz NOBAOSBSIKBLNE-KRWDZBQOSA-N 1 0 382.346 2.996 20 0 GFADRO COC(=O)CC[N@@H+]1CCN(CCOc2c(Cl)cccc2Cl)[C@@H](C)C1 ZINC000540422838 564247598 /nfs/dbraw/zinc/24/75/98/564247598.db2.gz XVQQAZORFMDUAK-ZDUSSCGKSA-N 1 0 375.296 2.941 20 0 GFADRO CN(C(=O)c1ccc(I)cc1Cl)C1(C[NH3+])CCC1 ZINC000564839561 564251819 /nfs/dbraw/zinc/25/18/19/564251819.db2.gz FACGLHHTQXCGBC-UHFFFAOYSA-N 1 0 378.641 2.898 20 0 GFADRO CS[C@@H]1CN(CC(=O)N(C)Cc2ccc(Cl)c(Cl)c2)C[C@H]1[NH+](C)C ZINC000540589033 564252648 /nfs/dbraw/zinc/25/26/48/564252648.db2.gz NLTIXFQVRDDIEM-HZPDHXFCSA-N 1 0 390.380 2.929 20 0 GFADRO CN(C)C(=O)[C@@H]1CCC[C@@H]([NH2+]C[C@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000564855869 564252899 /nfs/dbraw/zinc/25/28/99/564252899.db2.gz HRHXLBBWGLDALO-YUELXQCFSA-N 1 0 389.323 2.970 20 0 GFADRO O=S1(=O)CCO[C@H](C[NH2+][C@H]2CCC[C@H]2c2ccc(C(F)(F)F)cc2)C1 ZINC000540705990 564255241 /nfs/dbraw/zinc/25/52/41/564255241.db2.gz ABUZJZODUFWGTB-PMPSAXMXSA-N 1 0 377.428 2.745 20 0 GFADRO CN1CCc2nc(NC(=O)[C@](C)([NH3+])c3ccc(Br)cc3)sc2C1 ZINC000564889620 564255501 /nfs/dbraw/zinc/25/55/01/564255501.db2.gz CUTHLGNVPGNIHZ-MRXNPFEDSA-N 1 0 395.326 2.706 20 0 GFADRO C[N@@H+]1CCC[C@@H]1CNS(=O)(=O)Cc1ccc(Cl)cc1Br ZINC000473914626 564256382 /nfs/dbraw/zinc/25/63/82/564256382.db2.gz ZOINPYUFEALSEY-GFCCVEGCSA-N 1 0 381.723 2.616 20 0 GFADRO Cc1cccc(C)c1C[NH2+]Cc1ccc(S(=O)(=O)N2CCOCC2)s1 ZINC000540811320 564257643 /nfs/dbraw/zinc/25/76/43/564257643.db2.gz KTMIUQXTQIWEDU-UHFFFAOYSA-N 1 0 380.535 2.676 20 0 GFADRO CCN(CCC[NH+](CC)CC)S(=O)(=O)c1cc(OC)c(OC)cc1F ZINC000473930809 564258012 /nfs/dbraw/zinc/25/80/12/564258012.db2.gz CTNXJPOQPWNGCX-UHFFFAOYSA-N 1 0 376.494 2.585 20 0 GFADRO Cc1csc(C(=O)N2CCC([C@H](C)[NH3+])CC2)c1I ZINC000564941168 564258195 /nfs/dbraw/zinc/25/81/95/564258195.db2.gz BIFPTVHFOYGOLV-VIFPVBQESA-N 1 0 378.279 2.861 20 0 GFADRO Cc1ncsc1CCS(=O)(=O)N(CCC[NH+](C)C)Cc1ccccc1 ZINC000450983570 564259026 /nfs/dbraw/zinc/25/90/26/564259026.db2.gz RHSKXUOQPIUPQZ-UHFFFAOYSA-N 1 0 381.567 2.778 20 0 GFADRO Brc1cc2c(c(C[NH2+][C@@H]3CCC[C@@H]3[C@@H]3COCCN3)c1)OCC2 ZINC000564988714 564260635 /nfs/dbraw/zinc/26/06/35/564260635.db2.gz OQAGSEPXIYSITN-BBWFWOEESA-N 1 0 381.314 2.631 20 0 GFADRO OCCOc1ccc(C[NH2+]C[C@@H](O)COc2c(Cl)cccc2Cl)cc1 ZINC000564975367 564260726 /nfs/dbraw/zinc/26/07/26/564260726.db2.gz MBKNRTDAKKDXHG-CQSZACIVSA-N 1 0 386.275 2.894 20 0 GFADRO OC[C@H](CC1CCCC1)[NH2+]C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000564978484 564261076 /nfs/dbraw/zinc/26/10/76/564261076.db2.gz NEIVCWDMSAHPMG-HOTGVXAUSA-N 1 0 390.293 2.859 20 0 GFADRO C[N@@H+]1CCN(CCNC(=O)CCc2ccc(Br)cc2)CC1(C)C ZINC000508319139 564261028 /nfs/dbraw/zinc/26/10/28/564261028.db2.gz WGMLKJBGCFSGTH-UHFFFAOYSA-N 1 0 382.346 2.524 20 0 GFADRO Cc1ccc(CC(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)c(Br)c1 ZINC000450991036 564261130 /nfs/dbraw/zinc/26/11/30/564261130.db2.gz VVSKQXOSLIDNQS-CQSZACIVSA-N 1 0 383.330 2.604 20 0 GFADRO C[N@@H+]1CCN(CCNC(=O)C2(c3ccccc3Br)CC2)CC1(C)C ZINC000508348468 564261894 /nfs/dbraw/zinc/26/18/94/564261894.db2.gz RMRSZUCSWQYAIE-UHFFFAOYSA-N 1 0 394.357 2.623 20 0 GFADRO C[C@@H]1CC[NH2+][C@H](C(=O)NC[C@H]2CCN(c3ccc(Br)cc3)C2)C1 ZINC000565028759 564263093 /nfs/dbraw/zinc/26/30/93/564263093.db2.gz PMMONIIAQVNAKC-CPUCHLNUSA-N 1 0 380.330 2.780 20 0 GFADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C)C1 ZINC000508437500 564263433 /nfs/dbraw/zinc/26/34/33/564263433.db2.gz XXUOIUTXVIIRAN-LBPRGKRZSA-N 1 0 381.322 2.741 20 0 GFADRO CO[C@@H]1CCN(C(=O)Cc2csc(-c3ccccc3Cl)n2)[C@H](C[NH3+])C1 ZINC000565039901 564263618 /nfs/dbraw/zinc/26/36/18/564263618.db2.gz KUNPKXOTXBAQRI-UONOGXRCSA-N 1 0 379.913 2.971 20 0 GFADRO CCC[C@H](C)[C@@H](CO)[NH2+]CCS(=O)(=O)c1cccc(Br)c1 ZINC000565046893 564263994 /nfs/dbraw/zinc/26/39/94/564263994.db2.gz GQNAALLZEKDOAN-SWLSCSKDSA-N 1 0 378.332 2.610 20 0 GFADRO Cc1cccc(OC[C@@H](O)C[NH2+][C@H](CO)c2ccc(Br)cc2)c1 ZINC000541053213 564265130 /nfs/dbraw/zinc/26/51/30/564265130.db2.gz HSABLESKMJWIPT-FUHWJXTLSA-N 1 0 380.282 2.820 20 0 GFADRO Cc1cc(C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@H]2C)c(Br)s1 ZINC000474205169 564269412 /nfs/dbraw/zinc/26/94/12/564269412.db2.gz IXMOFTBUXOZKLG-SNVBAGLBSA-N 1 0 375.332 2.736 20 0 GFADRO CC[NH+](CC)[C@@H]1CCN(S(=O)(=O)c2cccc(Br)c2F)C1 ZINC000541211608 564269830 /nfs/dbraw/zinc/26/98/30/564269830.db2.gz BBFLRBDBELPJPF-LLVKDONJSA-N 1 0 379.295 2.693 20 0 GFADRO CC(=O)[C@](C)(O)C[NH2+]C1(Cc2ccc(F)cc2Br)CCOCC1 ZINC000451070098 564270200 /nfs/dbraw/zinc/27/02/00/564270200.db2.gz NQZDVZOLXKFWTO-MRXNPFEDSA-N 1 0 388.277 2.610 20 0 GFADRO C[C@@H]1CCC[N@H+](CCNS(=O)(=O)c2cccc(Br)c2F)C1 ZINC000541246233 564270880 /nfs/dbraw/zinc/27/08/80/564270880.db2.gz LECNUDQXDSSXEK-LLVKDONJSA-N 1 0 379.295 2.598 20 0 GFADRO C[C@@H]1CN(C[C@H](O)COc2ccc(Br)cc2)CC[N@@H+](C2CC2)C1 ZINC000451079586 564271252 /nfs/dbraw/zinc/27/12/52/564271252.db2.gz IFPYMJPUEKADJU-PBHICJAKSA-N 1 0 383.330 2.605 20 0 GFADRO O=S(=O)(N(CC[NH+]1CCCC1)Cc1ccc(Cl)c(Cl)c1)N1CCC1 ZINC000508726693 564271552 /nfs/dbraw/zinc/27/15/52/564271552.db2.gz KHHJJMNKYMESRI-UHFFFAOYSA-N 1 0 392.352 2.842 20 0 GFADRO O=C(NCCOc1cccc(Br)c1)c1ccc2c(c1)CC[NH2+]CC2 ZINC000474291351 564273481 /nfs/dbraw/zinc/27/34/81/564273481.db2.gz GTJRAISPPAPREE-UHFFFAOYSA-N 1 0 389.293 2.946 20 0 GFADRO O=C(CC[NH2+][C@@H]1C[C@@H]2CCCCN2C1=O)Nc1ccc(Br)cc1 ZINC000565299939 564274623 /nfs/dbraw/zinc/27/46/23/564274623.db2.gz LHYUKPYFFRDDFG-LSDHHAIUSA-N 1 0 380.286 2.521 20 0 GFADRO CN(Cc1ccccc1Br)C(=O)C[NH2+][C@]1(C)CCO[C@@H]1C1CC1 ZINC000541379346 564276592 /nfs/dbraw/zinc/27/65/92/564276592.db2.gz IMFWIFQTFIHMHZ-QZTJIDSGSA-N 1 0 381.314 2.955 20 0 GFADRO COCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](CCOc2ccccc2Br)C1 ZINC000508918136 564277082 /nfs/dbraw/zinc/27/70/82/564277082.db2.gz ZQTWNLNZJCSEMZ-CABCVRRESA-N 1 0 399.329 2.691 20 0 GFADRO COCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](CCOc2ccccc2Br)C1 ZINC000508918150 564277169 /nfs/dbraw/zinc/27/71/69/564277169.db2.gz ZQTWNLNZJCSEMZ-LSDHHAIUSA-N 1 0 399.329 2.691 20 0 GFADRO [NH3+][C@@H]1CCc2ncc(NC(=O)COc3ccc(Br)cc3F)cc2C1 ZINC000565357910 564277599 /nfs/dbraw/zinc/27/75/99/564277599.db2.gz ISYCWVUQDMZRDE-GFCCVEGCSA-N 1 0 394.244 2.817 20 0 GFADRO CCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1nc(-c2cccs2)cs1 ZINC000508987538 564277881 /nfs/dbraw/zinc/27/78/81/564277881.db2.gz NQMXCRABGVYQOR-LBPRGKRZSA-N 1 0 378.523 2.801 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2cccc(Br)c2F)[C@@H](C)C1 ZINC000541387778 564278171 /nfs/dbraw/zinc/27/81/71/564278171.db2.gz ZDLHPCXXQWCHOO-WCQYABFASA-N 1 0 393.322 2.939 20 0 GFADRO C[C@@H](CNC(=O)NCC[N@H+]1CC=CCC1)Oc1cccc(Br)c1 ZINC000474437244 564278668 /nfs/dbraw/zinc/27/86/68/564278668.db2.gz HHCITDIBLCDKPL-AWEZNQCLSA-N 1 0 382.302 2.778 20 0 GFADRO Cc1ccc(Br)c(CNC(=O)NCCCC[NH+]2CCN(C)CC2)c1 ZINC000565409175 564280074 /nfs/dbraw/zinc/28/00/74/564280074.db2.gz PVRXRTIIIUREKP-UHFFFAOYSA-N 1 0 397.361 2.584 20 0 GFADRO C[N@@H+]1CC[C@@H]2CCN(S(=O)(=O)c3ccc(Cl)cc3Br)[C@@H]2C1 ZINC000541536898 564282499 /nfs/dbraw/zinc/28/24/99/564282499.db2.gz CDKAHGWXFTXKHM-ZWNOBZJWSA-N 1 0 393.734 2.817 20 0 GFADRO COc1ccc(C(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)c(Br)c1 ZINC000565476672 564282983 /nfs/dbraw/zinc/28/29/83/564282983.db2.gz SHSPEQUBFYUZTL-DOTOQJQBSA-N 1 0 375.266 2.943 20 0 GFADRO Cc1sc(C(=O)Nc2ccccc2CC[NH+](C)C)cc1CS(C)(=O)=O ZINC000474626106 564283126 /nfs/dbraw/zinc/28/31/26/564283126.db2.gz BWIHDJXUNTXJDD-UHFFFAOYSA-N 1 0 380.535 2.958 20 0 GFADRO CSCC[C@H]([NH3+])C(=O)N1CCC(c2nc(-c3ccncc3)cs2)CC1 ZINC000565525312 564284400 /nfs/dbraw/zinc/28/44/00/564284400.db2.gz ZNYGIGCMRXRITD-HNNXBMFYSA-N 1 0 376.551 2.992 20 0 GFADRO Oc1ccc(C[NH2+]C[C@@H](O)COc2cc(F)cc(Br)c2)cc1F ZINC000565536067 564285624 /nfs/dbraw/zinc/28/56/24/564285624.db2.gz TUNDGJWDMIJFSZ-CYBMUJFWSA-N 1 0 388.208 2.962 20 0 GFADRO O=C(Nc1cnn(-c2ncc(Cl)cc2Cl)c1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000565645384 564289808 /nfs/dbraw/zinc/28/98/08/564289808.db2.gz JTIBPVWVCXZPRB-INIZCTEOSA-N 1 0 381.267 2.791 20 0 GFADRO COC(=O)[C@@H]1CCCCC[C@@H]1[NH2+][C@@H](C(N)=O)c1cccc(Br)c1 ZINC000451239945 564289809 /nfs/dbraw/zinc/28/98/09/564289809.db2.gz XSZIHNGXLLOTNS-QLFBSQMISA-N 1 0 383.286 2.687 20 0 GFADRO C[C@H](C1CC[NH+](C)CC1)N(C)S(=O)(=O)c1ccc(F)c(Br)c1 ZINC000541817259 564289868 /nfs/dbraw/zinc/28/98/68/564289868.db2.gz OGMGCYLCJVXZPZ-LLVKDONJSA-N 1 0 393.322 2.939 20 0 GFADRO CC1(C)OCC[C@H]1[NH2+]C[C@H](O)COc1ccc(Cl)cc1Br ZINC000451235094 564290158 /nfs/dbraw/zinc/29/01/58/564290158.db2.gz HKNCCHMJKKKXQJ-SMDDNHRTSA-N 1 0 378.694 2.999 20 0 GFADRO C[C@H](CCc1ccc(I)cc1)[NH2+]CCc1ncn(C)n1 ZINC000474805318 564290355 /nfs/dbraw/zinc/29/03/55/564290355.db2.gz AZQHOBMRQPICHW-GFCCVEGCSA-N 1 0 384.265 2.573 20 0 GFADRO C[C@H]([NH2+][C@H]1CCC1(C)C)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000565664166 564290514 /nfs/dbraw/zinc/29/05/14/564290514.db2.gz FUENZRLQGSXLFN-NHYWBVRUSA-N 1 0 387.933 2.696 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCOC1(C)C)C(=O)Nc1ccc(I)cc1 ZINC000451248068 564291480 /nfs/dbraw/zinc/29/14/80/564291480.db2.gz YYQMQIHADWIOKS-GXFFZTMASA-N 1 0 388.249 2.775 20 0 GFADRO C[NH+](C)[C@@H]1CCCN(C(=O)c2cc(I)ccc2F)C1 ZINC000474880161 564292212 /nfs/dbraw/zinc/29/22/12/564292212.db2.gz OCXCEINIMCNZOB-LLVKDONJSA-N 1 0 376.213 2.597 20 0 GFADRO COC[C@H](O)CC[NH2+][C@@H](C)CCc1ccc(I)cc1 ZINC000474892586 564293133 /nfs/dbraw/zinc/29/31/33/564293133.db2.gz KFUFJFBABXRWFY-SWLSCSKDSA-N 1 0 377.266 2.599 20 0 GFADRO Fc1ccc(I)c(F)c1C[NH2+][C@H]1CCn2ccnc2C1 ZINC000474928891 564293620 /nfs/dbraw/zinc/29/36/20/564293620.db2.gz UPPGJDPNAHNLLH-VIFPVBQESA-N 1 0 389.187 2.871 20 0 GFADRO CC[NH+](CC)[C@@H]1CCN(S(=O)(=O)c2cc(C(=O)OC)cc(Cl)c2C)C1 ZINC000451282049 564296062 /nfs/dbraw/zinc/29/60/62/564296062.db2.gz KKJUGCOLLKROAS-CQSZACIVSA-N 1 0 388.917 2.540 20 0 GFADRO NC(=O)c1ccc(C[NH2+]CCOc2ccc(I)cc2)cc1 ZINC000509430075 564298387 /nfs/dbraw/zinc/29/83/87/564298387.db2.gz OKDJZYNMRNXFQA-UHFFFAOYSA-N 1 0 396.228 2.559 20 0 GFADRO O[C@@H]1C[C@H]([C@@H]2CCCOC2)[N@H+](CCOc2cc(F)cc(Br)c2)C1 ZINC000451302632 564299060 /nfs/dbraw/zinc/29/90/60/564299060.db2.gz KTXUGMCEBKTDGX-SRCQZFHVSA-N 1 0 388.277 2.829 20 0 GFADRO C[N@@H+](Cc1ccc([S@](C)=O)cc1)C[C@@H]1C[C@H](F)CN1Cc1nccs1 ZINC000475088843 564299514 /nfs/dbraw/zinc/29/95/14/564299514.db2.gz BAIAGFCAIQICGQ-NWLBTCKQSA-N 1 0 381.542 2.925 20 0 GFADRO CC(C)[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000509478401 564301589 /nfs/dbraw/zinc/30/15/89/564301589.db2.gz VEFCOOHOLYOIMC-XJKSGUPXSA-N 1 0 383.945 2.851 20 0 GFADRO [NH3+][C@@H]1CCO[C@@H](C2CCN(C(=O)COc3ccccc3Br)CC2)C1 ZINC000565945329 564303652 /nfs/dbraw/zinc/30/36/52/564303652.db2.gz BRPHFONIXFECJK-RHSMWYFYSA-N 1 0 397.313 2.573 20 0 GFADRO CS[C@@H]1CN(S(=O)(=O)c2cccc3c(Cl)ccnc32)C[C@@H]1[NH+](C)C ZINC000451356818 564304502 /nfs/dbraw/zinc/30/45/02/564304502.db2.gz XOAIXKQQYUEYTQ-UONOGXRCSA-N 1 0 385.942 2.554 20 0 GFADRO C[C@@H](CNS(=O)(=O)c1ccc(OCC(F)F)cc1)[NH+]1CCC(C)CC1 ZINC000542254340 564307836 /nfs/dbraw/zinc/30/78/36/564307836.db2.gz RZHYAPKCJDGYTC-AWEZNQCLSA-N 1 0 376.469 2.729 20 0 GFADRO CS(=O)(=O)C1(C[NH2+]Cc2ccc(OC(F)F)c(Br)c2)CC1 ZINC000475444550 564308850 /nfs/dbraw/zinc/30/88/50/564308850.db2.gz XNSLZDTZZIDPIC-UHFFFAOYSA-N 1 0 384.242 2.717 20 0 GFADRO CC(C)c1n[nH]c(C(=O)N2CC[C@H](OCC[NH+]3CCCC3)C2)c1Br ZINC000475450690 564308976 /nfs/dbraw/zinc/30/89/76/564308976.db2.gz XJMQJNLJGUFVAN-ZDUSSCGKSA-N 1 0 399.333 2.623 20 0 GFADRO O=C(c1cc(F)ccc1Br)N1CC[C@@H](OCC[NH+]2CCCC2)C1 ZINC000475452233 564309061 /nfs/dbraw/zinc/30/90/61/564309061.db2.gz MHVJOPQAUJLFCK-CQSZACIVSA-N 1 0 385.277 2.915 20 0 GFADRO [NH3+][C@H]1CCC[C@H](CNC(=O)c2cc(F)c(F)cc2I)C1 ZINC000566102946 564309339 /nfs/dbraw/zinc/30/93/39/564309339.db2.gz GOKFIUVRXLMXDI-IUCAKERBSA-N 1 0 394.203 2.817 20 0 GFADRO Cc1cc(C)c(C(=O)NCC2CC[NH+](C)CC2)cc1I ZINC000475458348 564309509 /nfs/dbraw/zinc/30/95/09/564309509.db2.gz RISPXGUHYWNPLC-UHFFFAOYSA-N 1 0 386.277 2.980 20 0 GFADRO O=C(NCC[NH2+]C[C@@H](O)COc1ccc(Cl)cc1)c1ccccc1Cl ZINC000566106356 564309743 /nfs/dbraw/zinc/30/97/43/564309743.db2.gz NHMUGQKBJFXRHB-CQSZACIVSA-N 1 0 383.275 2.753 20 0 GFADRO C[C@@H](Oc1ccc(F)cc1Br)C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000566102097 564309753 /nfs/dbraw/zinc/30/97/53/564309753.db2.gz LRZGXVKBSCLXCH-PXAZEXFGSA-N 1 0 385.277 2.958 20 0 GFADRO COc1cc(C[NH2+]CC(=O)N2Cc3ccccc3C2)cc(Br)c1O ZINC000475498685 564310783 /nfs/dbraw/zinc/31/07/83/564310783.db2.gz YJXHEWDCDVMCTD-UHFFFAOYSA-N 1 0 391.265 2.795 20 0 GFADRO Cn1cc2c(n1)CCC[C@@H]2[NH2+]C[C@@H](O)COc1ccc(Br)cc1 ZINC000566129144 564311950 /nfs/dbraw/zinc/31/19/50/564311950.db2.gz YGGHCXFIHBCXDJ-CJNGLKHVSA-N 1 0 380.286 2.590 20 0 GFADRO C[C@H](Sc1ccc(Br)cc1)C(=O)NCCOCC[NH+](C)C ZINC000542458763 564313245 /nfs/dbraw/zinc/31/32/45/564313245.db2.gz SVMDSWMEBJQDTP-LBPRGKRZSA-N 1 0 375.332 2.624 20 0 GFADRO CC[NH+](CC)[C@H](CNS(=O)(=O)CCOC)c1ccc(C(F)(F)F)cc1 ZINC000509791727 564313673 /nfs/dbraw/zinc/31/36/73/564313673.db2.gz TUTLOYZGIXVOML-OAHLLOKOSA-N 1 0 382.448 2.654 20 0 GFADRO Cc1cc(NC(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)[C@H]2C)ccc1Br ZINC000509794096 564313751 /nfs/dbraw/zinc/31/37/51/564313751.db2.gz PUSFFDXLEIMGCS-CJNGLKHVSA-N 1 0 394.313 2.781 20 0 GFADRO C[C@H]([NH3+])C[C@H](C)NC(=O)N1CCN(C(=O)c2cc3sccc3s2)CC1 ZINC000566192192 564315732 /nfs/dbraw/zinc/31/57/32/564315732.db2.gz JKRSADLMNRVLLP-RYUDHWBXSA-N 1 0 380.539 2.556 20 0 GFADRO CN(Cc1ccccc1Br)C(=O)C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000451466241 564315900 /nfs/dbraw/zinc/31/59/00/564315900.db2.gz RBFZBJICCDOGLS-XKQJLSEDSA-N 1 0 381.314 2.811 20 0 GFADRO [NH3+]C1C[C@H]2CC[C@@H](C1)C2NS(=O)(=O)c1ccc(OC(F)F)c(Cl)c1 ZINC000566223983 564317105 /nfs/dbraw/zinc/31/71/05/564317105.db2.gz AKVQDNAOXVWCID-HZNSRWLBSA-N 1 0 380.844 2.736 20 0 GFADRO COc1cc(C)c(Br)cc1S(=O)(=O)NCc1ccc(C[NH3+])cc1 ZINC000566221595 564317205 /nfs/dbraw/zinc/31/72/05/564317205.db2.gz TXCWAYHJNQSEMH-UHFFFAOYSA-N 1 0 399.310 2.703 20 0 GFADRO NC(=O)[C@H]1CCC[C@H]([NH2+]Cc2ncc(Br)cc2Br)C1 ZINC000542517195 564317326 /nfs/dbraw/zinc/31/73/26/564317326.db2.gz QEVSBDQZYXYFEW-WPRPVWTQSA-N 1 0 391.107 2.740 20 0 GFADRO Brc1ccc(CN2CC[NH+](C3CCC3)CC2)c(N2CCOCC2)c1 ZINC000475719122 564317373 /nfs/dbraw/zinc/31/73/73/564317373.db2.gz RDESZXXWGIWDTG-UHFFFAOYSA-N 1 0 394.357 2.956 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H](CNC(=O)[C@@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)C1 ZINC000566212553 564317514 /nfs/dbraw/zinc/31/75/14/564317514.db2.gz UICPHGYMAQQHSS-BNOWGMLFSA-N 1 0 384.307 2.980 20 0 GFADRO Cc1nc(-c2ccc(Br)cc2)sc1[C@@H](C)[NH2+]CC(=O)NC(N)=O ZINC000542572667 564318026 /nfs/dbraw/zinc/31/80/26/564318026.db2.gz CCZSSPXRBBOINR-MRVPVSSYSA-N 1 0 397.298 2.727 20 0 GFADRO [NH3+]C[C@@H]1CN(Cc2c(F)ccc(Br)c2F)CC12CCOCC2 ZINC000566230103 564318203 /nfs/dbraw/zinc/31/82/03/564318203.db2.gz HOBMYMZVGKVLQH-LLVKDONJSA-N 1 0 375.257 2.915 20 0 GFADRO COCCCOc1ccc(Cl)cc1S(=O)(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000475800887 564321042 /nfs/dbraw/zinc/32/10/42/564321042.db2.gz WLQZCQXJZOHPCO-ZDUSSCGKSA-N 1 0 390.933 2.516 20 0 GFADRO CCC(C)(C)[NH2+][C@@H](C)C(=O)NCC(=O)Nc1cc(Br)ccc1C ZINC000475919138 564324862 /nfs/dbraw/zinc/32/48/62/564324862.db2.gz LHODNZMYCUKXFN-LBPRGKRZSA-N 1 0 384.318 2.979 20 0 GFADRO CS[C@H]1CN(C(=O)COc2ccc(Br)cc2)C[C@@H]1[NH+]1CCCC1 ZINC000542768640 564325663 /nfs/dbraw/zinc/32/56/63/564325663.db2.gz KDODGYOUIFACQW-HOTGVXAUSA-N 1 0 399.354 2.866 20 0 GFADRO O[C@H](COC1CCOCC1)C[N@@H+]1CC[C@@H](c2cccc(Br)c2)C1 ZINC000451569924 564326970 /nfs/dbraw/zinc/32/69/70/564326970.db2.gz PBEABYISXFBPBS-WBVHZDCISA-N 1 0 384.314 2.795 20 0 GFADRO CCC[N@@H+]1CC[C@@H](CNC(=O)N[C@@H](CCO)c2ccccc2Br)C1 ZINC000542893095 564330706 /nfs/dbraw/zinc/33/07/06/564330706.db2.gz GBJLDXVIHPJKQJ-YOEHRIQHSA-N 1 0 398.345 2.904 20 0 GFADRO C[N@H+](CCNC(=O)CCCS(=O)(=O)c1ccc(Cl)cc1)C1CCCC1 ZINC000510349423 564331126 /nfs/dbraw/zinc/33/11/26/564331126.db2.gz AWTBTKZZOIBNSP-UHFFFAOYSA-N 1 0 386.945 2.885 20 0 GFADRO CO[C@@H]1CCC[C@H]1[NH2+][C@H](C)C(=O)Nc1cccc(I)c1 ZINC000451622025 564332085 /nfs/dbraw/zinc/33/20/85/564332085.db2.gz BQKYFYNZJRETQH-LERXQTSPSA-N 1 0 388.249 2.775 20 0 GFADRO C[C@H]([NH2+]CC(=O)N1CCC[C@H](C(F)(F)F)C1)c1ccc([S@](C)=O)cc1 ZINC000542977970 564334227 /nfs/dbraw/zinc/33/42/27/564334227.db2.gz SWIPXJFALCBDRS-CAVMCXFUSA-N 1 0 376.444 2.876 20 0 GFADRO C[C@@H]1C[N@@H+](CCCC(=O)c2ccc(Br)cc2)C[C@H](C)N1CCO ZINC000451663316 564336924 /nfs/dbraw/zinc/33/69/24/564336924.db2.gz LJYJFSIDSVEIDU-GASCZTMLSA-N 1 0 383.330 2.799 20 0 GFADRO OC[C@@H]1CCC[C@H](C[NH2+]Cc2cn(-c3ccccc3Br)nn2)C1 ZINC000566684893 564338066 /nfs/dbraw/zinc/33/80/66/564338066.db2.gz YFBCPCKROGWKLB-UONOGXRCSA-N 1 0 379.302 2.918 20 0 GFADRO CCc1n[nH]c(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)c1Br ZINC000566771912 564341838 /nfs/dbraw/zinc/34/18/38/564341838.db2.gz PMWQQDXDYVXTAP-CZUORRHYSA-N 1 0 377.286 2.910 20 0 GFADRO C[C@H](C[NH+]1CCCCCC1)NS(=O)(=O)c1ccccc1Br ZINC000476586619 564346729 /nfs/dbraw/zinc/34/67/29/564346729.db2.gz DSADODMODHLZFM-CYBMUJFWSA-N 1 0 375.332 2.992 20 0 GFADRO COC(=O)[C@H](C)C[N@H+](CC(=O)NCCc1cccc(Cl)c1Cl)C1CC1 ZINC000476608455 564347971 /nfs/dbraw/zinc/34/79/71/564347971.db2.gz TXDSHCYRXDWGPZ-GFCCVEGCSA-N 1 0 387.307 2.926 20 0 GFADRO O[C@H](C[NH2+][C@@H]1CCO[C@]2(CCOC2)C1)COc1cc(Cl)ccc1Cl ZINC000566909952 564348658 /nfs/dbraw/zinc/34/86/58/564348658.db2.gz UQDLMCUWKWBNJH-CKEIUWERSA-N 1 0 376.280 2.661 20 0 GFADRO C[C@@H]1C[NH+](C(C)(C)CNC(=O)Cc2cccc(Br)c2)C[C@@H](C)O1 ZINC000510909618 564350053 /nfs/dbraw/zinc/35/00/53/564350053.db2.gz BPMVQAFHROIVDS-ZIAGYGMSSA-N 1 0 383.330 2.996 20 0 GFADRO CS(=O)(=O)NCC[NH2+][C@@H](Cc1ccccc1)c1nc2ccccc2s1 ZINC000451812628 564354381 /nfs/dbraw/zinc/35/43/81/564354381.db2.gz CRBAKWKMJYFOFT-INIZCTEOSA-N 1 0 375.519 2.719 20 0 GFADRO CC[NH+](CC)CC[C@@H](CO)NC(=O)CCc1ccc(C)cc1Br ZINC000567061383 564355281 /nfs/dbraw/zinc/35/52/81/564355281.db2.gz VHODMHUELZFXHI-INIZCTEOSA-N 1 0 385.346 2.899 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)C(=O)N1CCC[C@H]1c1ccsc1)c1cccs1 ZINC000567065713 564355456 /nfs/dbraw/zinc/35/54/56/564355456.db2.gz IVXAGTDBTUXFRS-LSDHHAIUSA-N 1 0 377.535 2.892 20 0 GFADRO CCS(=O)(=O)N1CCC(C[NH2+]Cc2cnc(-c3ccccc3)s2)CC1 ZINC000543639878 564357132 /nfs/dbraw/zinc/35/71/32/564357132.db2.gz BNJZGEOBWNMOFB-UHFFFAOYSA-N 1 0 379.551 2.961 20 0 GFADRO C[C@H](c1cccc(Br)c1)N1CCC[C@@H](S(=O)(=O)N(C)C)C1 ZINC000511112392 564357433 /nfs/dbraw/zinc/35/74/33/564357433.db2.gz ZIAPABMKPGFLJN-IUODEOHRSA-N 1 0 375.332 2.866 20 0 GFADRO COC(=O)c1ccc(Cl)c(CN2CCC[C@H]2C(=O)N2CCSCC2)c1 ZINC000511119164 564357740 /nfs/dbraw/zinc/35/77/40/564357740.db2.gz GQAJEWTYDBGRIC-INIZCTEOSA-N 1 0 382.913 2.666 20 0 GFADRO CC[NH+](CC)CCS(=O)(=O)N(C)Cc1ccc(OCC(F)(F)F)cc1 ZINC000567150934 564359141 /nfs/dbraw/zinc/35/91/41/564359141.db2.gz ZUDNSPUYDAOOGX-UHFFFAOYSA-N 1 0 382.448 2.731 20 0 GFADRO O=S(=O)(CC[NH2+][C@H](CO)CC1CCCC1)c1cccc(Br)c1 ZINC000567166883 564360095 /nfs/dbraw/zinc/36/00/95/564360095.db2.gz VCZXPRAVXMSGTI-HNNXBMFYSA-N 1 0 390.343 2.754 20 0 GFADRO COC(=O)c1ccc(Cl)cc1S(=O)(=O)NC(C)(C)CCC[NH+](C)C ZINC000451889481 564362108 /nfs/dbraw/zinc/36/21/08/564362108.db2.gz MKVANQMLIXHBPI-UHFFFAOYSA-N 1 0 376.906 2.525 20 0 GFADRO COc1ccc(S(=O)(=O)N2C[C@@H](SC)[C@H]([NH+]3CCCC3)C2)c(C)c1C ZINC000477132834 564366432 /nfs/dbraw/zinc/36/64/32/564366432.db2.gz DRIQRAHTJOEFLM-NVXWUHKLSA-N 1 0 384.567 2.512 20 0 GFADRO C[C@H](CC[NH3+])NC(=O)c1ccc(NC(=O)c2ccc(Br)o2)cc1 ZINC000477185110 564368853 /nfs/dbraw/zinc/36/88/53/564368853.db2.gz FPOQXQMJDLPCES-SNVBAGLBSA-N 1 0 380.242 2.762 20 0 GFADRO CC(=O)c1cc(Br)ccc1OCC(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000511444979 564372824 /nfs/dbraw/zinc/37/28/24/564372824.db2.gz LPZUQTYGAYGXMK-NSHDSACASA-N 1 0 383.286 2.629 20 0 GFADRO CCOC(=O)CC[C@H](O)C[NH2+]CCc1c[nH]c2cccc(Br)c12 ZINC000567494493 564374959 /nfs/dbraw/zinc/37/49/59/564374959.db2.gz JIMVZGWLRGWJBD-ZDUSSCGKSA-N 1 0 383.286 2.767 20 0 GFADRO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+][C@@H]1COc2cc(F)ccc2C1 ZINC000567522284 564375595 /nfs/dbraw/zinc/37/55/95/564375595.db2.gz LEPQCYCBYJVGFV-NHYWBVRUSA-N 1 0 381.245 2.732 20 0 GFADRO C[C@](CO)([NH2+]C[C@H](O)COc1ccccc1)c1ccc(Br)cc1 ZINC000511558365 564375619 /nfs/dbraw/zinc/37/56/19/564375619.db2.gz WZKXUVCVIYRZIT-FUHWJXTLSA-N 1 0 380.282 2.686 20 0 GFADRO C[C@](CO)([NH2+]C[C@@H](O)COc1ccccc1)c1ccc(Br)cc1 ZINC000511558366 564375765 /nfs/dbraw/zinc/37/57/65/564375765.db2.gz WZKXUVCVIYRZIT-SJLPKXTDSA-N 1 0 380.282 2.686 20 0 GFADRO C[C@](CO)([NH2+]CC(=O)NCc1ccccc1F)c1ccc(Br)cc1 ZINC000511606594 564377341 /nfs/dbraw/zinc/37/73/41/564377341.db2.gz WSMIWPVSAUZQKR-GOSISDBHSA-N 1 0 395.272 2.702 20 0 GFADRO C[C@](CO)([NH2+]C[C@@H](O)COc1ccc(F)cc1)c1ccc(Br)cc1 ZINC000511606800 564377877 /nfs/dbraw/zinc/37/78/77/564377877.db2.gz XVRGKVBJIKMVST-SJLPKXTDSA-N 1 0 398.272 2.825 20 0 GFADRO C[N@H+](CCOc1ccc(S(N)(=O)=O)cc1F)C[C@H]1CCCC(F)(F)C1 ZINC000451995029 564378379 /nfs/dbraw/zinc/37/83/79/564378379.db2.gz XJYQBLXANXMFAZ-LBPRGKRZSA-N 1 0 380.432 2.609 20 0 GFADRO CC[NH+](CC)CCN(CCOC)S(=O)(=O)Cc1ccc(Cl)c(F)c1 ZINC000477499074 564378711 /nfs/dbraw/zinc/37/87/11/564378711.db2.gz MMWWOHSDMUBCIQ-UHFFFAOYSA-N 1 0 380.913 2.599 20 0 GFADRO CC(C)(C)[C@@H]1CC[N@H+](CC(=O)NCC(=O)Nc2ccccc2Br)C1 ZINC000544193335 564379081 /nfs/dbraw/zinc/37/90/81/564379081.db2.gz JJIBZPHPTIPJRI-CYBMUJFWSA-N 1 0 396.329 2.872 20 0 GFADRO CC(C)(C)[C@H]1CC[N@H+](CC(=O)NCC(=O)Nc2ccccc2Br)C1 ZINC000544193336 564379109 /nfs/dbraw/zinc/37/91/09/564379109.db2.gz JJIBZPHPTIPJRI-ZDUSSCGKSA-N 1 0 396.329 2.872 20 0 GFADRO Cn1ccnc1Sc1ncc(C(=O)NC[C@@H](C2CC2)[NH+](C)C)cc1Cl ZINC000511804787 564383251 /nfs/dbraw/zinc/38/32/51/564383251.db2.gz DXXYIZYWQSUOQO-AWEZNQCLSA-N 1 0 379.917 2.690 20 0 GFADRO COc1ccc(CNC(=O)N(C)[C@H]2CC[N@@H+](C3CC3)C2)cc1Br ZINC000477690444 564383726 /nfs/dbraw/zinc/38/37/26/564383726.db2.gz KMALZUKQNHYNPJ-AWEZNQCLSA-N 1 0 382.302 2.836 20 0 GFADRO CN(C)C(=O)N[C@@H]1CCC[N@H+](CCOc2cc(F)cc(Br)c2)C1 ZINC000452021251 564383691 /nfs/dbraw/zinc/38/36/91/564383691.db2.gz SRSAVCHFNAPLHN-CQSZACIVSA-N 1 0 388.281 2.703 20 0 GFADRO C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H](c1cc(Cl)cc(Cl)c1)N1CCOCC1 ZINC000511838117 564384047 /nfs/dbraw/zinc/38/40/47/564384047.db2.gz LNDKDCVELBNPGQ-DLBZAZTESA-N 1 0 386.323 2.577 20 0 GFADRO COc1cccc([C@H](CNc2cc(Br)cnc2C(N)=O)[NH+](C)C)c1 ZINC000544352693 564384305 /nfs/dbraw/zinc/38/43/05/564384305.db2.gz LVORYAIDQLOFMS-HNNXBMFYSA-N 1 0 393.285 2.666 20 0 GFADRO Cc1csc([C@H](C)NCC(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)n1 ZINC000544475017 564387022 /nfs/dbraw/zinc/38/70/22/564387022.db2.gz HPCKBOYUZMIHAU-JTQLQIEISA-N 1 0 387.914 2.798 20 0 GFADRO CC[C@@H]([NH2+]CC(=O)N(C)CCOc1ccc(Br)cc1)[C@@H]1CCCO1 ZINC000544458535 564387090 /nfs/dbraw/zinc/38/70/90/564387090.db2.gz IUUVUDJSPILXMS-SJORKVTESA-N 1 0 399.329 2.834 20 0 GFADRO CC[NH+](CC)CCOCCNC(=O)C(=O)Nc1cc(Cl)c(C)cc1Cl ZINC000544494805 564387929 /nfs/dbraw/zinc/38/79/29/564387929.db2.gz XSQPKKCJRGRGDI-UHFFFAOYSA-N 1 0 390.311 2.715 20 0 GFADRO O=C(c1csc(I)c1)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000567814615 564391072 /nfs/dbraw/zinc/39/10/72/564391072.db2.gz VSGFSTIOZSXHOW-QWRGUYRKSA-N 1 0 390.290 2.814 20 0 GFADRO [NH3+][C@H](C(=O)N[C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1)C1CCC1 ZINC000567817866 564391098 /nfs/dbraw/zinc/39/10/98/564391098.db2.gz DMUMTEWZQOPJSB-YPMHNXCESA-N 1 0 376.810 2.576 20 0 GFADRO Cc1ccc(S(=O)(=O)N(C)[C@H]2CC[N@@H+](C(C)C)C2)c(Br)c1 ZINC000452092405 564391118 /nfs/dbraw/zinc/39/11/18/564391118.db2.gz DDHLCDMXNCJRQM-ZDUSSCGKSA-N 1 0 375.332 2.861 20 0 GFADRO CC(C)[N@@H+]1CCC[C@H](CNCc2ncc(I)s2)C1 ZINC000512083203 564391301 /nfs/dbraw/zinc/39/13/01/564391301.db2.gz NZFMIYRBZFGWMY-LLVKDONJSA-N 1 0 379.311 2.958 20 0 GFADRO CCCc1c(C(=O)N[C@@H](C)[C@H](C)[NH3+])nnn1Cc1cccc(Br)c1 ZINC000567848441 564391955 /nfs/dbraw/zinc/39/19/55/564391955.db2.gz DACGWJCNDHMQOJ-RYUDHWBXSA-N 1 0 394.317 2.507 20 0 GFADRO C[C@@H]1[C@@H](NC(=O)c2c(Br)cnn2C)CC[N@@H+]1Cc1ccccc1 ZINC000452130913 564394607 /nfs/dbraw/zinc/39/46/07/564394607.db2.gz YUGMQZWWSYSSDQ-DOMZBBRYSA-N 1 0 377.286 2.575 20 0 GFADRO C[C@H](NCc1ccc(C[NH3+])cc1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000567895598 564395700 /nfs/dbraw/zinc/39/57/00/564395700.db2.gz QIQDLBISUBQQLT-JTQLQIEISA-N 1 0 388.320 2.950 20 0 GFADRO CCO[C@H]1COCC[C@@H]1[NH2+]Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000544707396 564395787 /nfs/dbraw/zinc/39/57/87/564395787.db2.gz KQKOVRCLFJAYRI-IRXDYDNUSA-N 1 0 380.286 2.918 20 0 GFADRO CN(C1CC[NH+](Cc2c[nH]nc2-c2ccc(Cl)cc2)CC1)S(C)(=O)=O ZINC000512258751 564396072 /nfs/dbraw/zinc/39/60/72/564396072.db2.gz IICFBWVFTPTIGA-UHFFFAOYSA-N 1 0 382.917 2.586 20 0 GFADRO COc1ccc(S(=O)(=O)N2CCN(c3cc[nH+]c(C)c3Cl)CC2)cc1 ZINC000478214254 564396743 /nfs/dbraw/zinc/39/67/43/564396743.db2.gz XEGVMXQWRBQCAV-UHFFFAOYSA-N 1 0 381.885 2.563 20 0 GFADRO CC(C)C[C@H](CNC(=O)CCCS(=O)(=O)c1ccc(Cl)cc1)[NH+](C)C ZINC000512308126 564397518 /nfs/dbraw/zinc/39/75/18/564397518.db2.gz DIELAXUWWYGAOF-MRXNPFEDSA-N 1 0 388.961 2.986 20 0 GFADRO CC[N@@H+]1CCCC[C@H]1CNS(=O)(=O)c1cc(Br)cc(OC)c1 ZINC000544841969 564401158 /nfs/dbraw/zinc/40/11/58/564401158.db2.gz UVJRDUQAGOJEQQ-ZDUSSCGKSA-N 1 0 391.331 2.610 20 0 GFADRO COC(=O)c1cn([C@@H]2CC[N@@H+]([C@H](C)c3ccccc3Br)C2)nn1 ZINC000544899668 564403399 /nfs/dbraw/zinc/40/33/99/564403399.db2.gz WYIMPVMDKKLUSJ-VXGBXAGGSA-N 1 0 379.258 2.835 20 0 GFADRO COC[C@]1(CNC(=O)N2CCc3c(Br)cc(C)cc3C2)CCC[NH2+]1 ZINC000568059223 564403752 /nfs/dbraw/zinc/40/37/52/564403752.db2.gz BBXORWVUFPLYIU-GOSISDBHSA-N 1 0 396.329 2.594 20 0 GFADRO CCn1c(CNC(=O)N[C@@H](C)CC[NH+](C)C)nc2cc(Br)ccc21 ZINC000478526590 564406013 /nfs/dbraw/zinc/40/60/13/564406013.db2.gz KOAWKRYTZHFWCI-LBPRGKRZSA-N 1 0 396.333 2.958 20 0 GFADRO CCC(C)(C)[NH2+][C@H](C)C(=O)N1CCNC(=O)[C@@H]1c1ccc(Br)cc1 ZINC000478577913 564408312 /nfs/dbraw/zinc/40/83/12/564408312.db2.gz BEJHLPBMCBLOAC-DOMZBBRYSA-N 1 0 396.329 2.615 20 0 GFADRO C[N@@H+]1CC[C@@H](c2nc(Cc3cccc(F)c3I)no2)C1 ZINC000545146468 564410015 /nfs/dbraw/zinc/41/00/15/564410015.db2.gz GUQMFMWNFUDORS-SNVBAGLBSA-N 1 0 387.196 2.823 20 0 GFADRO C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000452372021 564410371 /nfs/dbraw/zinc/41/03/71/564410371.db2.gz BQPVPDHUVRPCFT-TZMCWYRMSA-N 1 0 375.296 2.724 20 0 GFADRO O[C@H](COc1cc(F)cc(Br)c1)C[N@@H+]1CC[C@H](COC(F)F)C1 ZINC000512829115 564412449 /nfs/dbraw/zinc/41/24/49/564412449.db2.gz SUGWKPITKAWQLR-GWCFXTLKSA-N 1 0 398.219 2.889 20 0 GFADRO CC(C)C[C@@H](Cc1cccc(Br)c1)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000478710339 564412723 /nfs/dbraw/zinc/41/27/23/564412723.db2.gz POKATVFBWWTHMJ-DOTOQJQBSA-N 1 0 383.330 2.840 20 0 GFADRO CS(=O)(=O)N[C@H]1CCCC[C@@H]1C[NH2+]Cc1ccccc1OC(F)(F)F ZINC000512859710 564414585 /nfs/dbraw/zinc/41/45/85/564414585.db2.gz DKVPHRRWFVJITQ-OCCSQVGLSA-N 1 0 380.432 2.783 20 0 GFADRO CC(C)OC[C@@H](C)[NH2+]CCCNS(=O)(=O)c1ccccc1Br ZINC000512885379 564415256 /nfs/dbraw/zinc/41/52/56/564415256.db2.gz OUCFNLOXWFZXBJ-CYBMUJFWSA-N 1 0 393.347 2.521 20 0 GFADRO CC(C)OC[C@H](C)[NH2+]CCCNS(=O)(=O)c1ccccc1Br ZINC000512885380 564415338 /nfs/dbraw/zinc/41/53/38/564415338.db2.gz OUCFNLOXWFZXBJ-ZDUSSCGKSA-N 1 0 393.347 2.521 20 0 GFADRO COC(=O)C[C@@H]1CC[C@H]([NH2+]CC(=O)Nc2ccc(Br)cc2)[C@@H]1C ZINC000478855158 564416503 /nfs/dbraw/zinc/41/65/03/564416503.db2.gz LVTCSQBMCVHTQX-XUJVJEKNSA-N 1 0 383.286 2.955 20 0 GFADRO O[C@H](C[NH2+]Cc1sccc1Br)COc1ccc2c(c1)OCO2 ZINC000568382051 564416553 /nfs/dbraw/zinc/41/65/53/564416553.db2.gz LFYDEUBNZMJBFQ-SNVBAGLBSA-N 1 0 386.267 2.769 20 0 GFADRO CO[C@H]1CCN(C(=O)c2ccn(-c3ccc(Cl)cc3Cl)n2)[C@@H](C[NH3+])C1 ZINC000568383211 564416651 /nfs/dbraw/zinc/41/66/51/564416651.db2.gz QKXYNHCSRQCMMU-OLZOCXBDSA-N 1 0 383.279 2.757 20 0 GFADRO O=C1NCC[C@H]1CC[N@H+](CCc1ccc(Cl)cc1)C[C@H](O)C(F)(F)F ZINC000568408261 564417636 /nfs/dbraw/zinc/41/76/36/564417636.db2.gz ISSWJVXSHXOCDS-ZFWWWQNUSA-N 1 0 378.822 2.634 20 0 GFADRO CC(C)CC(=O)N1CCC([NH2+][C@H](C)Cn2cc(Br)ccc2=O)CC1 ZINC000568422544 564418435 /nfs/dbraw/zinc/41/84/35/564418435.db2.gz OWDWDZBMRSPVRD-CQSZACIVSA-N 1 0 398.345 2.626 20 0 GFADRO Cc1cc(C[NH2+][C@@H]2CCCN(S(=O)(=O)C3CC3)C2)sc1Br ZINC000513093978 564419517 /nfs/dbraw/zinc/41/95/17/564419517.db2.gz GCZAYSIYYLVHPG-LLVKDONJSA-N 1 0 393.372 2.865 20 0 GFADRO COC(=O)C[C@@](C)([NH2+]C[C@H](O)COC(C)C)c1ccc(Br)cc1 ZINC000513145688 564422186 /nfs/dbraw/zinc/42/21/86/564422186.db2.gz WWYRBUCCLJUSHQ-DOTOQJQBSA-N 1 0 388.302 2.603 20 0 GFADRO CN1CCN(Cc2cnc(-c3ccc(Br)cc3)s2)[C@@H](C[NH3+])C1 ZINC000568510733 564422331 /nfs/dbraw/zinc/42/23/31/564422331.db2.gz DLNTXPABHSFPFX-AWEZNQCLSA-N 1 0 381.343 2.647 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)C(=O)NCCc1c(Cl)cccc1Cl ZINC000479048751 564423187 /nfs/dbraw/zinc/42/31/87/564423187.db2.gz NPKJQFRSRYLPGK-CYBMUJFWSA-N 1 0 386.323 2.595 20 0 GFADRO COc1cc(Br)cc(NC(=O)N2C[C@@H](SC)[C@@H]([NH+](C)C)C2)c1 ZINC000545440428 564423558 /nfs/dbraw/zinc/42/35/58/564423558.db2.gz AXBKWRMZZWOKTN-UONOGXRCSA-N 1 0 388.331 2.967 20 0 GFADRO CN1CCN(C(=O)CC[NH2+][C@@H]2CC(C)(C)c3ccc(Br)cc32)CC1 ZINC000479067212 564424046 /nfs/dbraw/zinc/42/40/46/564424046.db2.gz VRUNOOMOCGYEDG-QGZVFWFLSA-N 1 0 394.357 2.925 20 0 GFADRO C[C@H]([NH2+]C[C@H](O)CN1C[C@@H](C)O[C@@H](C)C1)c1ccc(Br)cc1F ZINC000568568010 564425250 /nfs/dbraw/zinc/42/52/50/564425250.db2.gz AULHUFNXBHYFNX-XFMPKHEZSA-N 1 0 389.309 2.709 20 0 GFADRO CC(C)[C@@](C)(NC(=O)NC[C@@H]1C[NH2+]CCCO1)c1ccc(Br)cc1 ZINC000568609448 564427146 /nfs/dbraw/zinc/42/71/46/564427146.db2.gz ZYIKCYRVMVEWJM-FUHWJXTLSA-N 1 0 398.345 2.998 20 0 GFADRO CC(C)NC(=O)CC[NH2+][C@@H](C)c1ccc(F)c(I)c1 ZINC000453091606 564446902 /nfs/dbraw/zinc/44/69/02/564446902.db2.gz RQAUMZYFQCXBRS-JTQLQIEISA-N 1 0 378.229 2.996 20 0 GFADRO CCOCCOC[C@H](O)C[NH2+][C@@H]1CCSc2ccc(Br)cc21 ZINC000513472924 564430138 /nfs/dbraw/zinc/43/01/38/564430138.db2.gz OIXOUTGSHCUWKY-UKRRQHHQSA-N 1 0 390.343 2.990 20 0 GFADRO O=C(NC[C@H]1CCC[N@H+]1CCCO)c1c(Cl)cc(F)cc1Br ZINC000452778966 564431402 /nfs/dbraw/zinc/43/14/02/564431402.db2.gz ADFCCAGFTGEFHB-LLVKDONJSA-N 1 0 393.684 2.818 20 0 GFADRO O=C(NC[C@H]1CCCC[N@H+]1CCO)c1c(Cl)cc(F)cc1Br ZINC000452798618 564432007 /nfs/dbraw/zinc/43/20/07/564432007.db2.gz OYEXLBCNDMGTTN-LLVKDONJSA-N 1 0 393.684 2.818 20 0 GFADRO O=C(N[C@@H]1CCC[N@@H+](CCCO)C1)c1[nH]c2ccccc2c1Br ZINC000452795632 564432562 /nfs/dbraw/zinc/43/25/62/564432562.db2.gz KKBUMISYTMSATO-GFCCVEGCSA-N 1 0 380.286 2.507 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CNc1ncnc2cccc(I)c21 ZINC000545866082 564434158 /nfs/dbraw/zinc/43/41/58/564434158.db2.gz UMQLPROEWVBFSH-NSHDSACASA-N 1 0 382.249 3.131 20 0 GFADRO C[N@@H+]1CC[C@@](O)(CNC(=O)c2csc(-c3ccc(Cl)c(Cl)c3)n2)C1 ZINC000545863931 564434478 /nfs/dbraw/zinc/43/44/78/564434478.db2.gz RLVYZOMGGOFRHS-MRXNPFEDSA-N 1 0 386.304 2.913 20 0 GFADRO [NH3+]C[C@H]1CCCC[C@]12NC(=O)N(CCOc1cc(Cl)cc(Cl)c1)C2=O ZINC000568863198 564438007 /nfs/dbraw/zinc/43/80/07/564438007.db2.gz KEPQIWZIYKKVBH-DIFFPNOSSA-N 1 0 386.279 2.812 20 0 GFADRO CO[C@@H]1CCN(C(=O)NCc2cc(Cl)ccc2Br)[C@@H](C[NH3+])C1 ZINC000568864096 564438032 /nfs/dbraw/zinc/43/80/32/564438032.db2.gz XAFOSYGVTZENAO-CHWSQXEVSA-N 1 0 390.709 2.750 20 0 GFADRO C[C@H](OC[C@H](O)C[NH2+]CCC1CCS(=O)(=O)CC1)c1ccc(Cl)cc1 ZINC000568857623 564438232 /nfs/dbraw/zinc/43/82/32/564438232.db2.gz JOFLUGYZIFCKGK-KBXCAEBGSA-N 1 0 389.945 2.583 20 0 GFADRO CS(=O)(=O)N1CC[C@H](C[NH2+][C@@H]2CCCc3cc(Br)ccc32)C1 ZINC000479402778 564439186 /nfs/dbraw/zinc/43/91/86/564439186.db2.gz SPCJYHDSHVWDCZ-MLGOLLRUSA-N 1 0 387.343 2.698 20 0 GFADRO CC(C)CN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc(Br)o1 ZINC000546091837 564444125 /nfs/dbraw/zinc/44/41/25/564444125.db2.gz JDGWTIKIQMNDMA-UHFFFAOYSA-N 1 0 379.320 2.783 20 0 GFADRO C[C@H](NC(=O)c1csc(-c2ccc(Cl)cc2)c1)C(=O)NCC[NH+](C)C ZINC000568999795 564444234 /nfs/dbraw/zinc/44/42/34/564444234.db2.gz GAOZGLNFUQYJQJ-LBPRGKRZSA-N 1 0 379.913 2.865 20 0 GFADRO COCC[C@H](Cc1cccc(Br)c1)C(=O)N[C@@H](CC[NH3+])C(F)F ZINC000568999842 564444382 /nfs/dbraw/zinc/44/43/82/564444382.db2.gz VETMQUNFKVAMQV-OCCSQVGLSA-N 1 0 393.272 2.743 20 0 GFADRO CO[C@@H]1CCN(C(=O)c2cc(Br)cc(OC(C)C)c2)[C@H](C[NH3+])C1 ZINC000568989839 564444759 /nfs/dbraw/zinc/44/47/59/564444759.db2.gz OIRSOXCZTFKOTM-LSDHHAIUSA-N 1 0 385.302 2.815 20 0 GFADRO COC1([C@@H](C)[NH2+]Cc2cc(Br)c3c(c2)OCCO3)CCOCC1 ZINC000453089771 564445618 /nfs/dbraw/zinc/44/56/18/564445618.db2.gz SGKPQHJSDVXKBT-GFCCVEGCSA-N 1 0 386.286 2.894 20 0 GFADRO Cc1cc(Br)cn2cc(CNC(=O)c3c[nH+]ccc3N(C)C)nc12 ZINC000546117160 564445703 /nfs/dbraw/zinc/44/57/03/564445703.db2.gz OXFHTBKBHPZJGF-UHFFFAOYSA-N 1 0 388.269 2.796 20 0 GFADRO C[C@H]([NH2+]CCN1CCOC[C@@H]1C)c1ccc(F)c(I)c1 ZINC000453111215 564446407 /nfs/dbraw/zinc/44/64/07/564446407.db2.gz RDJZKMZPBYKAIF-RYUDHWBXSA-N 1 0 392.256 2.802 20 0 GFADRO Cn1cc(CN(Cc2ccccc2Br)C2CC[NH+](C)CC2)nn1 ZINC000569044586 564446500 /nfs/dbraw/zinc/44/65/00/564446500.db2.gz GTBRHIBXBYNBNQ-UHFFFAOYSA-N 1 0 378.318 2.674 20 0 GFADRO C[C@@H]([NH2+]C[C@H](O)C1CCOCC1)c1ccc(F)c(I)c1 ZINC000453133294 564448037 /nfs/dbraw/zinc/44/80/37/564448037.db2.gz AUFCWYQPVFXISO-BMIGLBTASA-N 1 0 393.240 2.868 20 0 GFADRO C[C@@H]([NH2+]C[C@]1(O)CCSC1)c1ccc(F)c(I)c1 ZINC000453144408 564448047 /nfs/dbraw/zinc/44/80/47/564448047.db2.gz VWANYHRRQOSUBA-NOZJJQNGSA-N 1 0 381.254 2.949 20 0 GFADRO CCOC(=O)[C@H](C)[C@@H](C)[NH2+][C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000514248788 564448871 /nfs/dbraw/zinc/44/88/71/564448871.db2.gz VTWYYGSWHDRCNE-LALPHHSUSA-N 1 0 383.286 2.732 20 0 GFADRO C[N@@H+]1CC[C@H](CNC(=O)c2ccc3cc(I)ccc3n2)C1 ZINC000479739971 564449308 /nfs/dbraw/zinc/44/93/08/564449308.db2.gz HCPKAQIKSAYLDJ-LLVKDONJSA-N 1 0 395.244 2.521 20 0 GFADRO C[C@@H]([NH2+][C@@H]1CC(=O)N(C2CC2)C1)c1ccc(F)c(I)c1 ZINC000453148190 564449269 /nfs/dbraw/zinc/44/92/69/564449269.db2.gz JQBPSURMMBGAPV-MWLCHTKSSA-N 1 0 388.224 2.844 20 0 GFADRO CC[C@@H](COCC(F)(F)F)[NH2+][C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000453255818 564450930 /nfs/dbraw/zinc/45/09/30/564450930.db2.gz KZYVVQFVHFOQAH-JSGCOSHPSA-N 1 0 382.448 2.945 20 0 GFADRO CC[C@H](CNS(C)(=O)=O)[NH2+][C@H]1C[C@@H](C)c2c1cccc2Br ZINC000453283227 564451937 /nfs/dbraw/zinc/45/19/37/564451937.db2.gz MJLFGSDOVNUKLQ-GYSYKLTISA-N 1 0 375.332 2.915 20 0 GFADRO Cc1ccncc1C[NH2+][C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000453326636 564453183 /nfs/dbraw/zinc/45/31/83/564453183.db2.gz NPCCGJISHUUDEL-NSHDSACASA-N 1 0 384.299 2.651 20 0 GFADRO O=C(Nc1ccn(-c2ccc(Cl)cc2Cl)n1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000569211299 564453359 /nfs/dbraw/zinc/45/33/59/564453359.db2.gz JZPWHFZCRUQHIE-CYBMUJFWSA-N 1 0 380.279 3.537 20 0 GFADRO O[C@@H](C[NH2+][C@H]1CCN(C2CC2)C1)COc1ccc(Cl)cc1Br ZINC000569229230 564454699 /nfs/dbraw/zinc/45/46/99/564454699.db2.gz LYVPKYHNIYPLPR-JSGCOSHPSA-N 1 0 389.721 2.669 20 0 GFADRO CCO[C@@H]1COC[C@H]1[NH2+][C@@H](C)c1ccc(F)c(I)c1 ZINC000453357698 564454820 /nfs/dbraw/zinc/45/48/20/564454820.db2.gz NLOUHZNJXLPILW-CUOATXAZSA-N 1 0 379.213 2.885 20 0 GFADRO Cc1cc(C)c(C[NH2+][C@H](C)c2ccc(Br)c(S(N)(=O)=O)c2)cn1 ZINC000453372097 564454979 /nfs/dbraw/zinc/45/49/79/564454979.db2.gz SAXTXTGHIUQAGB-GFCCVEGCSA-N 1 0 398.326 2.959 20 0 GFADRO Cc1c(Br)cccc1C[C@H](CO)C[NH2+][C@H](C)C(C)(C)n1cncn1 ZINC000453378865 564456005 /nfs/dbraw/zinc/45/60/05/564456005.db2.gz QFPMELOTGVUMEG-CABCVRRESA-N 1 0 395.345 2.913 20 0 GFADRO CCC[N@@H+]1CC[C@H](CNc2ncnc3cccc(I)c32)C1 ZINC000546575909 564460180 /nfs/dbraw/zinc/46/01/80/564460180.db2.gz VDKUZYMEXAKEBE-GFCCVEGCSA-N 1 0 396.276 3.378 20 0 GFADRO O=C(NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)N1CCc2sc(Cl)cc2C1 ZINC000514934820 564462570 /nfs/dbraw/zinc/46/25/70/564462570.db2.gz ORQQHVGBYFGOGO-HUUCEWRRSA-N 1 0 383.945 2.847 20 0 GFADRO O=C(NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)N1CCc2sc(Cl)cc2C1 ZINC000514934818 564462996 /nfs/dbraw/zinc/46/29/96/564462996.db2.gz ORQQHVGBYFGOGO-CABCVRRESA-N 1 0 383.945 2.847 20 0 GFADRO Cc1ccccc1[C@@H](CN1CCOCC1)[NH2+]CCn1cc(Br)cn1 ZINC000569485323 564465465 /nfs/dbraw/zinc/46/54/65/564465465.db2.gz NVXVNPPNCWGTAR-GOSISDBHSA-N 1 0 393.329 2.617 20 0 GFADRO CC[C@H](C)[C@H](O)C[NH2+][C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000480244719 564466218 /nfs/dbraw/zinc/46/62/18/564466218.db2.gz YORYMCYCKQSZRB-LEWSCRJBSA-N 1 0 376.316 2.664 20 0 GFADRO C[C@@H](Oc1ccccc1Br)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000480276705 564466526 /nfs/dbraw/zinc/46/65/26/564466526.db2.gz HZFNIDHUOVQSML-WBMJQRKESA-N 1 0 387.343 2.770 20 0 GFADRO CCC[C@](C)(O)C[NH2+][C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000480264615 564467020 /nfs/dbraw/zinc/46/70/20/564467020.db2.gz WDGJIDXDYRNDES-ZFWWWQNUSA-N 1 0 376.316 2.808 20 0 GFADRO [NH3+]CCC1CCN(C(=O)N[C@@H]2COc3cc(F)c(Br)cc32)CC1 ZINC000515067316 564467589 /nfs/dbraw/zinc/46/75/89/564467589.db2.gz CGSCJSZNHLWUMQ-CQSZACIVSA-N 1 0 386.265 2.792 20 0 GFADRO CCN(CCC[NH+](C)C)C(=O)C(=O)Nc1c(C)ccc(F)c1Br ZINC000453729503 564468136 /nfs/dbraw/zinc/46/81/36/564468136.db2.gz JQNSXLSNKOLCAV-UHFFFAOYSA-N 1 0 388.281 2.635 20 0 GFADRO CC[C@H]([NH3+])CNC(=O)c1cccc(NC(=O)c2ccc(Br)o2)c1 ZINC000569574657 564469345 /nfs/dbraw/zinc/46/93/45/564469345.db2.gz MBYADYSDUQVYAY-NSHDSACASA-N 1 0 380.242 2.762 20 0 GFADRO O=C1[C@H](N2CC[NH2+]C[C@H]2c2cccc(Cl)c2)CCCN1CC(F)(F)F ZINC000569577717 564469444 /nfs/dbraw/zinc/46/94/44/564469444.db2.gz ZHBQLQOTIJOFDT-CABCVRRESA-N 1 0 375.822 2.840 20 0 GFADRO C[NH2+][C@@H]1CCCN(C(=O)Nc2ccc(-c3ccc(Br)s3)nn2)C1 ZINC000569674880 564474473 /nfs/dbraw/zinc/47/44/73/564474473.db2.gz WXOJDQMXBIMOCN-SNVBAGLBSA-N 1 0 396.314 3.183 20 0 GFADRO C[C@@H]1Cc2cc(S(=O)(=O)N3CCC4(CC[NH2+]CC4)CC3)cc(Cl)c2O1 ZINC000515300243 564474672 /nfs/dbraw/zinc/47/46/72/564474672.db2.gz LMPOHHQCCKULQR-CYBMUJFWSA-N 1 0 384.929 2.818 20 0 GFADRO C[C@@H](Cc1c[nH]cn1)C(=O)N1CCN(Cc2ccc(Br)s2)CC1 ZINC000515309817 564475232 /nfs/dbraw/zinc/47/52/32/564475232.db2.gz KBBDXHBJBLPKQF-LBPRGKRZSA-N 1 0 397.342 2.757 20 0 GFADRO C[C@H](NCc1ccc(S(=O)(=O)N(C)C)s1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000515348679 564476155 /nfs/dbraw/zinc/47/61/55/564476155.db2.gz IWRWGRCUQARBJC-GJZGRUSLSA-N 1 0 385.599 2.741 20 0 GFADRO CCCC[N@H+](C)C[C@H](C)NS(=O)(=O)c1cc2c(cc1Cl)OCCO2 ZINC000569762724 564478012 /nfs/dbraw/zinc/47/80/12/564478012.db2.gz QQDDUPYOGMVBLL-LBPRGKRZSA-N 1 0 376.906 2.510 20 0 GFADRO O=C(NCCOc1cccc(Br)c1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000515405899 564478617 /nfs/dbraw/zinc/47/86/17/564478617.db2.gz MLVWPNZXKNFJQD-QGZVFWFLSA-N 1 0 382.302 2.613 20 0 GFADRO CC(=O)N1CCN(CC[NH2+][C@@H]2C[C@@H](C)c3c2cccc3Br)CC1 ZINC000480601870 564479071 /nfs/dbraw/zinc/47/90/71/564479071.db2.gz RETGYOFRDLCIIB-CXAGYDPISA-N 1 0 380.330 2.751 20 0 GFADRO C[NH2+][C@@H](CC(C)(C)C)C(=O)NC[C@@H](O)COc1cccc(Cl)c1Cl ZINC000569840773 564480470 /nfs/dbraw/zinc/48/04/70/564480470.db2.gz HDRSWSKLRKTNRZ-YPMHNXCESA-N 1 0 377.312 2.874 20 0 GFADRO CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3cnc4ccc(Br)cn34)[C@H]2C1 ZINC000569883550 564481881 /nfs/dbraw/zinc/48/18/81/564481881.db2.gz QVJVQZBORKSSKK-RRQGHBQHSA-N 1 0 391.313 2.833 20 0 GFADRO C[N@@H+]1CC[C@@](O)(CNC(=O)Nc2cccc(Cl)c2SCC(F)F)C1 ZINC000547282655 564482503 /nfs/dbraw/zinc/48/25/03/564482503.db2.gz XPCFZJGEBFUSQL-OAHLLOKOSA-N 1 0 379.860 2.885 20 0 GFADRO C[N@@H+]1CC[C@@](O)(CNC(=O)N[C@H](c2ccc(Br)cc2)C2CCC2)C1 ZINC000547298488 564483598 /nfs/dbraw/zinc/48/35/98/564483598.db2.gz YGRXSGZKJGSBPA-FUHWJXTLSA-N 1 0 396.329 2.656 20 0 GFADRO CC[NH+](CC)[C@@H]1CCN(S(=O)(=O)c2ccc(OC)cc2Br)C1 ZINC000480754392 564486534 /nfs/dbraw/zinc/48/65/34/564486534.db2.gz KJTWMIDKLQTOEL-GFCCVEGCSA-N 1 0 391.331 2.563 20 0 GFADRO COCC[N@H+](C)CCCN[C@H](C)c1ccccc1I ZINC000480760646 564487688 /nfs/dbraw/zinc/48/76/88/564487688.db2.gz RRVWQGBJMDRIEN-CYBMUJFWSA-N 1 0 376.282 2.910 20 0 GFADRO Cc1cc(N2CC[C@@H](NC(=O)[C@@H]3CCCCC[NH2+]3)C2=O)ccc1Br ZINC000516067958 564491987 /nfs/dbraw/zinc/49/19/87/564491987.db2.gz NWUQGWZGLLISNT-JKSUJKDBSA-N 1 0 394.313 2.511 20 0 GFADRO CS[C@H]1CN(C(=O)CCC(=O)c2ccc(Cl)cn2)C[C@@H]1[NH+]1CCCC1 ZINC000547536932 564492276 /nfs/dbraw/zinc/49/22/76/564492276.db2.gz YEGXOYAMCJWDQN-RDJZCZTQSA-N 1 0 381.929 2.736 20 0 GFADRO Cc1cc(S(=O)(=O)N[C@@H]2C[N@H+](C3CC3)C[C@@H]2C)c(C)cc1Br ZINC000480868154 564492689 /nfs/dbraw/zinc/49/26/89/564492689.db2.gz HXKXSDGZUIJOSC-SWLSCSKDSA-N 1 0 387.343 2.827 20 0 GFADRO CN1C[C@@H]([N@H+](C)Cc2ccc(I)c(Cl)c2)CCC1=O ZINC000516086352 564492902 /nfs/dbraw/zinc/49/29/02/564492902.db2.gz RPPHLCWJKWRCLC-NSHDSACASA-N 1 0 392.668 2.997 20 0 GFADRO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1Cc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000570147177 564493642 /nfs/dbraw/zinc/49/36/42/564493642.db2.gz LXJSLHHUPJMDDX-UONOGXRCSA-N 1 0 393.329 2.726 20 0 GFADRO O=C(C[NH+]1CCCC1)N1CCN(c2nc3cc(Cl)cc(Cl)c3o2)CC1 ZINC000516138414 564493858 /nfs/dbraw/zinc/49/38/58/564493858.db2.gz JIPCSPCCAAQSRE-UHFFFAOYSA-N 1 0 383.279 2.879 20 0 GFADRO CCN(CCC[NH2+][C@H](C)c1ccc(OCC(F)(F)F)cc1)S(C)(=O)=O ZINC000480909007 564494956 /nfs/dbraw/zinc/49/49/56/564494956.db2.gz GURIJFSUVOKVCL-CYBMUJFWSA-N 1 0 382.448 2.950 20 0 GFADRO COC(=O)c1csc(S(=O)(=O)N[C@H](C)[C@H](c2ccccc2)[NH+](C)C)c1 ZINC000480936079 564496301 /nfs/dbraw/zinc/49/63/01/564496301.db2.gz UZTIWCFIGCHZMH-MLGOLLRUSA-N 1 0 382.507 2.504 20 0 GFADRO COc1c(Br)cc(CN2C[C@@H](C)[C@@H]([NH3+])C2)cc1Br ZINC000516290908 564498933 /nfs/dbraw/zinc/49/89/33/564498933.db2.gz BNXNTEPXESNRQV-PELKAZGASA-N 1 0 378.108 2.999 20 0 GFADRO C[C@H]([NH2+]C[C@H]1CC(=O)N(C2CC2)C1)c1ccc(I)cc1 ZINC000570285954 564500077 /nfs/dbraw/zinc/50/00/77/564500077.db2.gz KBCCOGFUURGIQO-NWDGAFQWSA-N 1 0 384.261 2.953 20 0 GFADRO C[C@H]([NH2+]Cc1cc(Cl)cc(S(N)(=O)=O)c1)c1ccc([S@@](C)=O)cc1 ZINC000570282564 564500262 /nfs/dbraw/zinc/50/02/62/564500262.db2.gz CDWIZNONDVCVKC-BSNNYGBQSA-N 1 0 386.926 2.576 20 0 GFADRO CC(C)[C@H](CNC(=O)c1nc2cc(Cl)ccc2s1)N1CC[NH+](C)CC1 ZINC000454133215 564500635 /nfs/dbraw/zinc/50/06/35/564500635.db2.gz IVCLFGVRBVCVKQ-HNNXBMFYSA-N 1 0 380.945 2.952 20 0 GFADRO C[NH+](C)[C@@]1(CNC(=O)NCCNc2ncc(Cl)cc2Cl)CCSC1 ZINC000481044680 564501502 /nfs/dbraw/zinc/50/15/02/564501502.db2.gz YHEHYCQUDQIOJG-OAHLLOKOSA-N 1 0 392.356 2.537 20 0 GFADRO C[C@@H]1C[N@H+](CC(=O)NCC(=O)Nc2ccccc2Br)CC(C)(C)C1 ZINC000570339871 564502050 /nfs/dbraw/zinc/50/20/50/564502050.db2.gz WEKGHKBVOWXENJ-ZDUSSCGKSA-N 1 0 396.329 2.872 20 0 GFADRO COC[C@H](C)OC[C@H](O)C[NH2+][C@@H](C)Cc1ccc(F)c(Br)c1 ZINC000570391346 564503550 /nfs/dbraw/zinc/50/35/50/564503550.db2.gz XYHHWZSUJSAWHU-SGMGOOAPSA-N 1 0 378.282 2.521 20 0 GFADRO C[NH+](C)[C@@]1(CNC(=O)CCOc2ccccc2Br)CCSC1 ZINC000481192046 564504988 /nfs/dbraw/zinc/50/49/88/564504988.db2.gz PYNCQRVDJNBZGG-MRXNPFEDSA-N 1 0 387.343 2.772 20 0 GFADRO CC(=O)N[C@H](C)C1CC[NH+](C[C@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000481157697 564505101 /nfs/dbraw/zinc/50/51/01/564505101.db2.gz WEKOICJLVUZXDH-WBMJQRKESA-N 1 0 389.323 2.970 20 0 GFADRO CN(C)[C@H](CNC(=O)NC[C@@]1([NH+](C)C)CCSC1)c1ccccc1Cl ZINC000481279932 564509217 /nfs/dbraw/zinc/50/92/17/564509217.db2.gz ZCNKKMDUFDJORI-AEFFLSMTSA-N 1 0 384.977 2.679 20 0 GFADRO O=C(C[NH2+]C[C@H]1CCCO1)N1CCC(c2cccc(Br)c2)CC1 ZINC000570508063 564509327 /nfs/dbraw/zinc/50/93/27/564509327.db2.gz IYUALNDHQNTFAD-QGZVFWFLSA-N 1 0 381.314 2.924 20 0 GFADRO C[C@@H]([NH2+]C[C@H]1CCN(CC(F)(F)F)C1)c1cccc(NS(C)(=O)=O)c1 ZINC000481321669 564509808 /nfs/dbraw/zinc/50/98/08/564509808.db2.gz LBWGVJVYTHUKPU-CHWSQXEVSA-N 1 0 379.448 2.593 20 0 GFADRO CC(C)(C)NS(=O)(=O)CC[NH2+][C@@H]1CCc2c1ccc(F)c2Br ZINC000570666349 564516152 /nfs/dbraw/zinc/51/61/52/564516152.db2.gz QBBFDTFLYCNBSG-CYBMUJFWSA-N 1 0 393.322 2.883 20 0 GFADRO O=C(N[C@H]1CC[N@@H+](C2CC2)C1)N1CCc2c(F)ccc(Br)c2C1 ZINC000454648427 564517940 /nfs/dbraw/zinc/51/79/40/564517940.db2.gz RXUNKBSJCGURST-NSHDSACASA-N 1 0 382.277 2.893 20 0 GFADRO CC(=O)N[C@@H](C)C1CC[NH+](C[C@@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000481597574 564517935 /nfs/dbraw/zinc/51/79/35/564517935.db2.gz XTXUVWYESYVVAZ-BLLLJJGKSA-N 1 0 389.323 2.970 20 0 GFADRO C[C@H](Cc1ccc(F)c(Br)c1)NC(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000454681234 564519176 /nfs/dbraw/zinc/51/91/76/564519176.db2.gz BFYFKBYVTJRNDC-PVXIVEMSSA-N 1 0 384.293 2.865 20 0 GFADRO C[C@H]1CC[N@H+](CC(=O)NCC2(c3cccc(Br)c3)CCOCC2)C1 ZINC000516987321 564519529 /nfs/dbraw/zinc/51/95/29/564519529.db2.gz PPFRTPRIWPXFAI-HNNXBMFYSA-N 1 0 395.341 2.955 20 0 GFADRO [NH3+][C@H]1C[C@@H]2CN(C(=O)c3sc4cc(Cl)ccc4c3Cl)CCN2C1=O ZINC000516981914 564519628 /nfs/dbraw/zinc/51/96/28/564519628.db2.gz PPONDTBJVJNTAH-KOLCDFICSA-N 1 0 384.288 2.592 20 0 GFADRO C[C@@H](c1ncc(-c2ccc(Cl)cc2Cl)o1)[N@@H+]1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000517011480 564520760 /nfs/dbraw/zinc/52/07/60/564520760.db2.gz DBTIFDOLJSYYES-KPXOXKRLSA-N 1 0 380.231 2.914 20 0 GFADRO CCO[C@H](C)c1nc(CN(C)C(=O)NC[C@@]2([NH+](C)C)CCSC2)cs1 ZINC000481796568 564524319 /nfs/dbraw/zinc/52/43/19/564524319.db2.gz PAKHLGCFLSBRES-DYVFJYSZSA-N 1 0 386.587 2.819 20 0 GFADRO CC[C@H](Cc1ccccc1Br)[N@H+](C)CCN1CCCS1(=O)=O ZINC000481843858 564526377 /nfs/dbraw/zinc/52/63/77/564526377.db2.gz FIXZRDYEPPCUAU-OAHLLOKOSA-N 1 0 389.359 2.738 20 0 GFADRO CC[NH+]1CCN(CCCNC(=O)c2c(C)ccc(Br)c2C)CC1 ZINC000517212684 564526973 /nfs/dbraw/zinc/52/69/73/564526973.db2.gz BJPDKQZURXVIMB-UHFFFAOYSA-N 1 0 382.346 2.823 20 0 GFADRO O=S(=O)(CC[NH2+][C@@H]1CCCCC[C@H]1O)c1cccc(Br)c1 ZINC000570927472 564527977 /nfs/dbraw/zinc/52/79/77/564527977.db2.gz BTTKKWDRJXEBPK-HUUCEWRRSA-N 1 0 376.316 2.506 20 0 GFADRO CC[NH+]1CCC(CNC(=O)NCc2cc(OC)ccc2Br)CC1 ZINC000517248630 564528943 /nfs/dbraw/zinc/52/89/43/564528943.db2.gz WDBXLBSBPUIBCY-UHFFFAOYSA-N 1 0 384.318 2.989 20 0 GFADRO CSC1(CNC(=O)NCCOc2ccc(F)c(Cl)c2)CC[NH+](C)CC1 ZINC000454971420 564530024 /nfs/dbraw/zinc/53/00/24/564530024.db2.gz LNNPSADPPHLSFM-UHFFFAOYSA-N 1 0 389.924 2.985 20 0 GFADRO O=C(NCCNc1cccc(Br)c1)[C@@]1(c2ccccc2)CC[NH2+]C1 ZINC000517356198 564531756 /nfs/dbraw/zinc/53/17/56/564531756.db2.gz JBHJZYKMSGIBKJ-IBGZPJMESA-N 1 0 388.309 2.909 20 0 GFADRO CCN(CCC[NH+]1CCCC1)C(=O)C(=O)NCc1cccc(Cl)c1Cl ZINC000571031892 564532427 /nfs/dbraw/zinc/53/24/27/564532427.db2.gz SEZJMNKTZGNTRT-UHFFFAOYSA-N 1 0 386.323 2.944 20 0 GFADRO C[C@@H](Cn1cc(Br)cn1)[NH2+][C@@H]1CCC(=O)N[C@H]1c1ccccc1 ZINC000571026678 564532702 /nfs/dbraw/zinc/53/27/02/564532702.db2.gz GPSOLHJJRQRIQP-MJEQTWJJSA-N 1 0 377.286 2.644 20 0 GFADRO O=C(Nc1cc(F)c(Br)c(F)c1)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000455078687 564536011 /nfs/dbraw/zinc/53/60/11/564536011.db2.gz RQNQGSKSUFUJDA-SNVBAGLBSA-N 1 0 392.244 2.696 20 0 GFADRO O=C(c1csc(I)c1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000517555652 564536679 /nfs/dbraw/zinc/53/66/79/564536679.db2.gz UIUNOXBBGJBMPI-CYBMUJFWSA-N 1 0 376.263 2.568 20 0 GFADRO O=C(Nc1ccn(-c2ccc(Cl)cc2Cl)n1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000571146305 564537888 /nfs/dbraw/zinc/53/78/88/564537888.db2.gz IDQSEZJAGBQTJL-RISCZKNCSA-N 1 0 380.279 3.395 20 0 GFADRO C[C@H](C(=O)N(C)Cc1ccc(Br)cc1Cl)N1CCN(C)CC1 ZINC000482359240 564541766 /nfs/dbraw/zinc/54/17/66/564541766.db2.gz QFJHONYLEIVLEI-GFCCVEGCSA-N 1 0 388.737 2.697 20 0 GFADRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)CNC(=O)c1ccc(Cl)cc1Cl ZINC000517907215 564543003 /nfs/dbraw/zinc/54/30/03/564543003.db2.gz WUNPCWFEVSGCDW-GXTWGEPZSA-N 1 0 384.307 2.808 20 0 GFADRO Cc1[nH]c(=O)sc1S(=O)(=O)NCC[NH2+]Cc1ccc(Cl)cc1Cl ZINC000482504982 564543871 /nfs/dbraw/zinc/54/38/71/564543871.db2.gz XPQMYRUVDDIRNV-UHFFFAOYSA-N 1 0 396.321 2.532 20 0 GFADRO C[C@@H]1CCN(CC(=O)Nc2cc(N3CCOCC3)ccc2Br)C1 ZINC000571297436 564544988 /nfs/dbraw/zinc/54/49/88/564544988.db2.gz KMJZFZMOXBRWQQ-CYBMUJFWSA-N 1 0 382.302 2.566 20 0 GFADRO C[C@@H](Oc1ccc(Cl)c(Cl)c1)C(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000518024252 564544976 /nfs/dbraw/zinc/54/49/76/564544976.db2.gz DYBHNOBJUZHRSA-CQSZACIVSA-N 1 0 388.339 2.905 20 0 GFADRO CC(C)[N@@H+]1CCCC[C@@H]1CN1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000518084329 564546060 /nfs/dbraw/zinc/54/60/60/564546060.db2.gz PCVIWMQQCOGOOW-QGZVFWFLSA-N 1 0 385.599 2.754 20 0 GFADRO Cc1cc(NC(=O)C2(n3cccn3)CC[NH2+]CC2)cc(C)c1Br ZINC000571327230 564546482 /nfs/dbraw/zinc/54/64/82/564546482.db2.gz XAWVTAXNRKRAQO-UHFFFAOYSA-N 1 0 377.286 2.980 20 0 GFADRO Cn1ccnc1CN1CCC[C@H]([NH2+]Cc2cc(F)cc(Br)c2)C1=O ZINC000518307894 564550293 /nfs/dbraw/zinc/55/02/93/564550293.db2.gz JJNHCXGSOXLLTB-HNNXBMFYSA-N 1 0 395.276 2.603 20 0 GFADRO [NH3+]C[C@H]1CC[C@H](Cn2cnc3c(I)cccc3c2=O)CC1 ZINC000518362879 564551501 /nfs/dbraw/zinc/55/15/01/564551501.db2.gz UGEHWLFKHAYIOL-HAQNSBGRSA-N 1 0 397.260 2.766 20 0 GFADRO CCC[C@@H]1C[NH2+]CCN1C(=O)c1cnn(-c2ccc(Br)cc2)c1 ZINC000518372945 564551570 /nfs/dbraw/zinc/55/15/70/564551570.db2.gz JPGBTMIWTNJAEI-MRXNPFEDSA-N 1 0 377.286 2.849 20 0 GFADRO CC(C)C[C@](C)([NH2+]CCN1C(=O)CNC1=O)c1cccc(Br)c1 ZINC000483045900 564557098 /nfs/dbraw/zinc/55/70/98/564557098.db2.gz DZNFLDLIYFZYKR-KRWDZBQOSA-N 1 0 382.302 2.852 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)Cc2ncc(I)s2)[C@@H](C)C1 ZINC000518617440 564557820 /nfs/dbraw/zinc/55/78/20/564557820.db2.gz PBGWGAQSGOUHDS-WDEREUQCSA-N 1 0 379.311 2.910 20 0 GFADRO O=C1NCCN1CC[NH2+][C@H](Cc1ccccn1)c1ccc(Br)cc1 ZINC000518607579 564558063 /nfs/dbraw/zinc/55/80/63/564558063.db2.gz GCQSLTHGCFRROO-QGZVFWFLSA-N 1 0 389.297 2.743 20 0 GFADRO CC[NH+](CC)[C@@H](CNC(=O)C(=O)N(C)CCC(F)(F)F)c1ccsc1 ZINC000571627173 564558827 /nfs/dbraw/zinc/55/88/27/564558827.db2.gz CGNVTGSLIYKFTF-ZDUSSCGKSA-N 1 0 379.448 2.658 20 0 GFADRO C[C@H]1CN(Cc2cc3c(cc2Br)OCCCO3)C[C@]2(CCOC2)O1 ZINC000483182453 564559746 /nfs/dbraw/zinc/55/97/46/564559746.db2.gz MJCQPONONQQIPF-UGSOOPFHSA-N 1 0 398.297 2.990 20 0 GFADRO Cc1cc(Br)cn2cc(CCNC(=O)NCCC[NH2+]C(C)C)nc12 ZINC000571657566 564560617 /nfs/dbraw/zinc/56/06/17/564560617.db2.gz AZTVIXUIEDPLNA-UHFFFAOYSA-N 1 0 396.333 2.635 20 0 GFADRO O=C(NC[C@@H]1CCC[N@H+]1CCCO)Nc1ccc(Br)c(C2CC2)n1 ZINC000455622412 564560604 /nfs/dbraw/zinc/56/06/04/564560604.db2.gz LVEHTPYNBAVKPD-ZDUSSCGKSA-N 1 0 397.317 2.690 20 0 GFADRO C[N@H+](CCCCNC(=O)N[C@@H](CO)c1cccc(Br)c1)C1CC1 ZINC000455627405 564561435 /nfs/dbraw/zinc/56/14/35/564561435.db2.gz ZTSINCNTEFOOMY-INIZCTEOSA-N 1 0 384.318 2.656 20 0 GFADRO C[NH+](C)CCn1ccc(C(=O)N2CCc3c(Br)ccc(F)c3C2)n1 ZINC000571774255 564566091 /nfs/dbraw/zinc/56/60/91/564566091.db2.gz GXCRMJRBJRXFQE-UHFFFAOYSA-N 1 0 395.276 2.545 20 0 GFADRO O=C(c1ccc(I)cn1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000455718393 564566614 /nfs/dbraw/zinc/56/66/14/564566614.db2.gz RZSFEQRONGKHLI-CQSZACIVSA-N 1 0 399.276 2.777 20 0 GFADRO CC(C)(C[NH2+]CC1(O)CCC1)S(=O)(=O)c1ccc(Br)cc1 ZINC000571790284 564567248 /nfs/dbraw/zinc/56/72/48/564567248.db2.gz GUDNIJBMZHAEMQ-UHFFFAOYSA-N 1 0 376.316 2.506 20 0 GFADRO COc1ccc(C(=O)C(=O)N2C[C@@H](SC)[C@H]([NH+]3CCCC3)C2)cc1Cl ZINC000483410416 564567293 /nfs/dbraw/zinc/56/72/93/564567293.db2.gz QLWHPWOECBQILX-GDBMZVCRSA-N 1 0 382.913 2.570 20 0 GFADRO CCn1c(C[NH2+]C2CCN(C(C)=O)CC2)nc2cc(Br)ccc21 ZINC000483490104 564569128 /nfs/dbraw/zinc/56/91/28/564569128.db2.gz HWKYJOSRJICXRY-UHFFFAOYSA-N 1 0 379.302 2.919 20 0 GFADRO CC(C)[NH2+]CCCNC(=O)N[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000571897762 564571826 /nfs/dbraw/zinc/57/18/26/564571826.db2.gz SFCPXQRLINKMBR-HNNXBMFYSA-N 1 0 383.334 2.715 20 0 GFADRO CO[C@H]1CCCC[C@H]1[NH2+]CCS(=O)(=O)c1cccc(Br)c1 ZINC000483681623 564572789 /nfs/dbraw/zinc/57/27/89/564572789.db2.gz IBYUUWCPDOHHJF-CABCVRRESA-N 1 0 376.316 2.770 20 0 GFADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2cc(N(C)C)c(Br)cn2)C1 ZINC000455857819 564574862 /nfs/dbraw/zinc/57/48/62/564574862.db2.gz ARBPXJQFRNDEPM-LBPRGKRZSA-N 1 0 384.322 2.716 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)Nc1cc(N(C)C)c(Br)cn1 ZINC000455858730 564575797 /nfs/dbraw/zinc/57/57/97/564575797.db2.gz CHVWNWSZKSCYPZ-GFCCVEGCSA-N 1 0 384.322 2.858 20 0 GFADRO CN(C)C(=O)C1(C[NH2+]C[C@H](O)COc2ccc(Cl)cc2Cl)CCCC1 ZINC000519387302 564575860 /nfs/dbraw/zinc/57/58/60/564575860.db2.gz ABXUDNPHJUZHAV-AWEZNQCLSA-N 1 0 389.323 2.971 20 0 GFADRO COCCOc1c(Cl)cc(S(=O)(=O)N(C)CC(C)(C)C[NH3+])cc1Cl ZINC000572036418 564578189 /nfs/dbraw/zinc/57/81/89/564578189.db2.gz RPUNMOKXAMTVDE-UHFFFAOYSA-N 1 0 399.340 2.624 20 0 GFADRO Cc1nc2cc(Cl)c(NC(=O)C(=O)N[C@@H]3CC[N@@H+](C4CC4)C3)cc2s1 ZINC000483929378 564578328 /nfs/dbraw/zinc/57/83/28/564578328.db2.gz VNHNVQWJMAFUAD-SNVBAGLBSA-N 1 0 378.885 2.550 20 0 GFADRO OC[C@H](C[NH2+]C[C@@H](O)COc1ccccc1Cl)Cc1ccncc1Cl ZINC000572039229 564579072 /nfs/dbraw/zinc/57/90/72/564579072.db2.gz OIHAVTWLZMOUAI-DZGCQCFKSA-N 1 0 385.291 2.569 20 0 GFADRO COC(=O)[C@H](c1ccc(Cl)c(Cl)c1)N1CCC[N@@H+]([C@H](C)CO)CC1 ZINC000484024774 564580943 /nfs/dbraw/zinc/58/09/43/564580943.db2.gz JDAGZFUWSLIPEG-WBMJQRKESA-N 1 0 375.296 2.596 20 0 GFADRO Cc1nc2cc(Cl)c(NC(=O)C(=O)N3CCC[C@H]([NH+](C)C)C3)cc2s1 ZINC000484043469 564581082 /nfs/dbraw/zinc/58/10/82/564581082.db2.gz LTKOBVILRYYALI-NSHDSACASA-N 1 0 380.901 2.749 20 0 GFADRO COC(=O)c1cc(NC(=O)NCc2ccc(N)nc2)cc(Br)c1F ZINC000548967052 564582197 /nfs/dbraw/zinc/58/21/97/564582197.db2.gz GHIDLQVYNNREOZ-UHFFFAOYSA-N 1 0 397.204 2.674 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCN(C(=O)c2cc(I)ccc2Cl)C1 ZINC000484115668 564582894 /nfs/dbraw/zinc/58/28/94/564582894.db2.gz YJOCERRQSVKSJV-IUCAKERBSA-N 1 0 378.641 2.754 20 0 GFADRO C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)[C@H]([NH3+])C2CCC2)CC1 ZINC000572154413 564583271 /nfs/dbraw/zinc/58/32/71/564583271.db2.gz SYFPJRCWXMOUKE-CXAGYDPISA-N 1 0 380.330 2.782 20 0 GFADRO CN(Cc1c(Cl)cccc1Cl)C(=O)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000484202892 564583608 /nfs/dbraw/zinc/58/36/08/564583608.db2.gz QACKYWBRAPVRIT-QWHCGFSZSA-N 1 0 386.323 2.941 20 0 GFADRO [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)NCc1cccc(Cl)c1Cl ZINC000519604543 564583576 /nfs/dbraw/zinc/58/35/76/564583576.db2.gz DGZCUEWYAXJSRV-ZDUSSCGKSA-N 1 0 387.311 2.523 20 0 GFADRO COc1cc(OC)c(NC(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1Br ZINC000519630663 564584002 /nfs/dbraw/zinc/58/40/02/564584002.db2.gz VSVSCFHHABZQNQ-SDDRHHMPSA-N 1 0 398.301 2.976 20 0 GFADRO COCCN(Cc1sccc1Br)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000519634318 564585133 /nfs/dbraw/zinc/58/51/33/564585133.db2.gz JUGVWBYRUBYBSW-GFCCVEGCSA-N 1 0 390.347 2.811 20 0 GFADRO CC(C)[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000549097357 564586464 /nfs/dbraw/zinc/58/64/64/564586464.db2.gz ITKSJKMWRJXQSW-XJKSGUPXSA-N 1 0 383.945 2.853 20 0 GFADRO O=C(NCC[NH2+]C[C@H](O)Cc1ccc(F)cc1)c1ccc(Br)cc1 ZINC000572274801 564587921 /nfs/dbraw/zinc/58/79/21/564587921.db2.gz OEFIQSFWTKIPGO-QGZVFWFLSA-N 1 0 395.272 2.511 20 0 GFADRO Cc1ccc(CN2C(=O)N[C@]3(CCCC[C@H]3C[NH3+])C2=O)c(Br)c1 ZINC000519713545 564588111 /nfs/dbraw/zinc/58/81/11/564588111.db2.gz NQAOLFYYBRHSKY-GUYCJALGSA-N 1 0 380.286 2.697 20 0 GFADRO C[NH+](C)C[C@H](NC(=O)[C@@H]1CCN(CC(F)(F)F)C1)c1ccc(Cl)cc1 ZINC000549233466 564588483 /nfs/dbraw/zinc/58/84/83/564588483.db2.gz ZJNREUOUTCCGGU-HIFRSBDPSA-N 1 0 377.838 2.943 20 0 GFADRO N#Cc1csc(C[NH2+]CCCNC(=O)c2cccc(Br)c2)n1 ZINC000572290947 564588840 /nfs/dbraw/zinc/58/88/40/564588840.db2.gz RAHHYLPEAATAQM-UHFFFAOYSA-N 1 0 379.283 2.687 20 0 GFADRO CS[C@@H]1CN([C@H]2CCN(c3ccc(Cl)cc3)C2=O)C[C@H]1[NH+]1CCCC1 ZINC000484623571 564592578 /nfs/dbraw/zinc/59/25/78/564592578.db2.gz FIRDPZBHARRAMZ-RCCFBDPRSA-N 1 0 379.957 2.957 20 0 GFADRO CS[C@@H]1CN(C[C@@H](O)COc2cc(C)ccc2Cl)C[C@@H]1[NH+]1CCCC1 ZINC000484660177 564594761 /nfs/dbraw/zinc/59/47/61/564594761.db2.gz YJCDOHFAPKRZSF-HHXXYDBFSA-N 1 0 384.973 2.900 20 0 GFADRO Cc1cc(Br)c(S(=O)(=O)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)s1 ZINC000549513066 564595773 /nfs/dbraw/zinc/59/57/73/564595773.db2.gz OWYPOCHCXWRCPZ-AWEZNQCLSA-N 1 0 393.372 2.925 20 0 GFADRO CN1CCN(c2cc[nH+]cc2NC(=O)c2ccc(Br)c(F)c2)CC1 ZINC000520000825 564596135 /nfs/dbraw/zinc/59/61/35/564596135.db2.gz OGNNYJGTBIPRHJ-UHFFFAOYSA-N 1 0 393.260 2.987 20 0 GFADRO CC[C@@H]1C[N@H+](CC)CCN1C(=O)[C@H](C)NC(=O)c1ccc(Br)cc1 ZINC000456352477 564601802 /nfs/dbraw/zinc/60/18/02/564601802.db2.gz NFQAIPMAEMOKPE-XJKSGUPXSA-N 1 0 396.329 2.510 20 0 GFADRO O=C(CCNC(=O)N(C1CC1)[C@H]1CC[NH2+]C1)Nc1cc(Cl)cc(Cl)c1 ZINC000572619743 564602687 /nfs/dbraw/zinc/60/26/87/564602687.db2.gz KHCSHOOAGUAEJM-HNNXBMFYSA-N 1 0 385.295 2.858 20 0 GFADRO COc1cc([C@@H](C)[NH2+]CCNC(=O)c2ccc(Br)cc2)ccn1 ZINC000572617227 564602699 /nfs/dbraw/zinc/60/26/99/564602699.db2.gz WNHQMAXBVXYRTR-GFCCVEGCSA-N 1 0 378.270 2.933 20 0 GFADRO O[C@H](C[NH2+]C1(c2cc(C(F)(F)F)ccc2Cl)CC1)CN1CCOCC1 ZINC000484988874 564603858 /nfs/dbraw/zinc/60/38/58/564603858.db2.gz RLCXGUUOQZPELR-CYBMUJFWSA-N 1 0 378.822 2.631 20 0 GFADRO C[C@@H]([NH3+])C[C@H](C)NS(=O)(=O)c1cc(Br)cc(C(F)(F)F)c1 ZINC000572721011 564607210 /nfs/dbraw/zinc/60/72/10/564607210.db2.gz LZRVFBPWGWERJT-SFYZADRCSA-N 1 0 389.237 2.872 20 0 GFADRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)C(=O)NCc1ccc(Cl)cc1Cl ZINC000549907060 564608021 /nfs/dbraw/zinc/60/80/21/564608021.db2.gz HAMPXUBURXUYDE-OAHLLOKOSA-N 1 0 386.323 2.942 20 0 GFADRO C[C@H](CC[NH+](C)C)NC(=O)N1CCN(Cc2ccc(Br)cc2)CC1 ZINC000485157876 564608447 /nfs/dbraw/zinc/60/84/47/564608447.db2.gz GPLPZNPTKVRYTM-OAHLLOKOSA-N 1 0 397.361 2.617 20 0 GFADRO CC[N@@H+]1CC[C@H](CNC(=O)c2cccc(F)c2I)C1 ZINC000520712647 564611274 /nfs/dbraw/zinc/61/12/74/564611274.db2.gz MCQHDPUSHKPNOO-SNVBAGLBSA-N 1 0 376.213 2.502 20 0 GFADRO CCS[C@H]1CCCCN(C(=O)C(=O)NC[C@@H](c2cccs2)[NH+](C)C)C1 ZINC000549999916 564612850 /nfs/dbraw/zinc/61/28/50/564612850.db2.gz CFJLRHPIHBUPQJ-GJZGRUSLSA-N 1 0 383.583 2.601 20 0 GFADRO C[C@H](NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1)c1cc(F)c(Cl)cc1Cl ZINC000550031342 564613697 /nfs/dbraw/zinc/61/36/97/564613697.db2.gz SOBIQZQECDTHKM-UWVGGRQHSA-N 1 0 388.270 2.663 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2C(=O)c1cccc(F)c1Br ZINC000485409924 564614692 /nfs/dbraw/zinc/61/46/92/564614692.db2.gz QJHJJLYMSJSYAA-BYCMXARLSA-N 1 0 385.277 2.912 20 0 GFADRO C[C@H]([NH2+]C[C@H]1CCCCN1S(=O)(=O)N(C)C)c1ccc(F)cc1Cl ZINC000520881462 564615881 /nfs/dbraw/zinc/61/58/81/564615881.db2.gz PIEMHUBQVWYXIG-GXTWGEPZSA-N 1 0 377.913 2.791 20 0 GFADRO CC[C@H](C)[NH+]1CCN(C(=O)[C@H](C)NC(=O)c2ccc(Br)cc2)CC1 ZINC000456563144 564617165 /nfs/dbraw/zinc/61/71/65/564617165.db2.gz WIYJQOWKTGLSRH-KBPBESRZSA-N 1 0 396.329 2.510 20 0 GFADRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)c2cccc(F)c2I)C1 ZINC000572958571 564617172 /nfs/dbraw/zinc/61/71/72/564617172.db2.gz QZIBUALMTQKUJV-LLVKDONJSA-N 1 0 390.240 2.985 20 0 GFADRO CCOCCC[N@@H+]1CC[C@H](NS(=O)(=O)c2cc(Cl)ccc2F)[C@H](C)C1 ZINC000521079043 564618642 /nfs/dbraw/zinc/61/86/42/564618642.db2.gz KGBPUZVUTQIJIO-CJNGLKHVSA-N 1 0 392.924 2.894 20 0 GFADRO Cc1ccc(OCCC(=O)N[C@@H]2C[NH2+]CCC2(F)F)c(Br)c1 ZINC000573002377 564618899 /nfs/dbraw/zinc/61/88/99/564618899.db2.gz JNJOWYXXWXSGFE-CYBMUJFWSA-N 1 0 377.229 2.640 20 0 GFADRO CCc1sc(C(=O)NC[C@H]2CCC[N@@H+]2CCOC)cc1Br ZINC000550313949 564619687 /nfs/dbraw/zinc/61/96/87/564619687.db2.gz QRNURPQTHMCNDR-LLVKDONJSA-N 1 0 375.332 2.914 20 0 GFADRO O=C(CCCCc1ccc(Br)cc1)NCC[NH+]1CCC(O)CC1 ZINC000456587604 564619927 /nfs/dbraw/zinc/61/99/27/564619927.db2.gz MTMLSHNZGZVRLM-UHFFFAOYSA-N 1 0 383.330 2.735 20 0 GFADRO C[C@H](c1ccc(Cl)cc1)N1CCN(C(=O)C[N@H+](C)[C@H]2CCSC2)CC1 ZINC000485587797 564620319 /nfs/dbraw/zinc/62/03/19/564620319.db2.gz AFUBGWSZOGYDGT-QAPCUYQASA-N 1 0 381.973 2.983 20 0 GFADRO CC[NH+](CC)CCN(Cc1cccs1)C(=O)C(=O)NCc1cccs1 ZINC000550324224 564620828 /nfs/dbraw/zinc/62/08/28/564620828.db2.gz AAOUYSFMPNAIRV-UHFFFAOYSA-N 1 0 379.551 2.796 20 0 GFADRO CC[C@H](NC(=O)[C@H]1C[N@@H+]2CCN1CCC2)c1cc(F)cc(Br)c1 ZINC000485667502 564622853 /nfs/dbraw/zinc/62/28/53/564622853.db2.gz GLBFVJCYINIAJX-JKSUJKDBSA-N 1 0 384.293 2.545 20 0 GFADRO CC(C)(CNC(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1)c1cccc(Br)c1 ZINC000485774366 564625314 /nfs/dbraw/zinc/62/53/14/564625314.db2.gz JBXRMTCXXPEFDR-GFCCVEGCSA-N 1 0 391.313 2.957 20 0 GFADRO O=C(N[C@H]1CCc2c1cccc2Br)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000485775585 564625610 /nfs/dbraw/zinc/62/56/10/564625610.db2.gz MKJLVSUNTLKSKB-YGRLFVJLSA-N 1 0 375.270 2.666 20 0 GFADRO COC(=O)c1ccc(Cl)cc1S(=O)(=O)N[C@@H](C)C[NH+]1CCC(C)CC1 ZINC000521462385 564627131 /nfs/dbraw/zinc/62/71/31/564627131.db2.gz HDVBYFSOVIQQMN-ZDUSSCGKSA-N 1 0 388.917 2.525 20 0 GFADRO C[C@@H]1CN(C[C@H](O)C[NH2+]CCc2nc3cc(Cl)ccc3s2)C[C@@H](C)O1 ZINC000521491384 564628745 /nfs/dbraw/zinc/62/87/45/564628745.db2.gz QXGQIHQNZNEYDP-UMVBOHGHSA-N 1 0 383.945 2.552 20 0 GFADRO C[C@@H](Oc1ccccc1Br)C(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1 ZINC000485939675 564632004 /nfs/dbraw/zinc/63/20/04/564632004.db2.gz MULNIGGWZVRHSK-CABCVRRESA-N 1 0 399.329 2.786 20 0 GFADRO CN(Cc1cn(-c2ccccc2Br)nn1)CC1CC[NH+](C)CC1 ZINC000521638462 564632307 /nfs/dbraw/zinc/63/23/07/564632307.db2.gz AXPRFMWEBHPIQV-UHFFFAOYSA-N 1 0 378.318 2.803 20 0 GFADRO O=C(NCC[C@H]1CCC[NH2+]1)N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000573308473 564633114 /nfs/dbraw/zinc/63/31/14/564633114.db2.gz MBJJGYPIAXEAIV-ABAIWWIYSA-N 1 0 385.295 2.540 20 0 GFADRO CC(C)[C@H](CNC(=O)N[C@H]1CCc2sc(Cl)cc21)[NH+]1CCN(C)CC1 ZINC000573377652 564635733 /nfs/dbraw/zinc/63/57/33/564635733.db2.gz SJDDFGWJYNMDHU-GJZGRUSLSA-N 1 0 384.977 2.960 20 0 GFADRO CC(C)C[C@H]([NH2+]C1CCC(CS(C)(=O)=O)CC1)C(=O)Nc1nccs1 ZINC000551083889 564637250 /nfs/dbraw/zinc/63/72/50/564637250.db2.gz PDRUWYXOHWDJGK-NRXISQOPSA-N 1 0 387.571 2.689 20 0 GFADRO CNC(=O)c1cccc(CC[NH2+]Cc2cccc(I)c2)c1 ZINC000551186395 564641093 /nfs/dbraw/zinc/64/10/93/564641093.db2.gz JQZPDHYIOOYYCK-UHFFFAOYSA-N 1 0 394.256 2.983 20 0 GFADRO CCCC[N@H+](C)C[C@H](C)NS(=O)(=O)c1cc(OC)c(OC)cc1Cl ZINC000573519792 564641296 /nfs/dbraw/zinc/64/12/96/564641296.db2.gz FEBBTTLWYYTUIX-LBPRGKRZSA-N 1 0 378.922 2.756 20 0 GFADRO O=C1[C@@H]([NH2+]Cc2cccc(I)c2)CCN1CC(F)(F)F ZINC000551183873 564641365 /nfs/dbraw/zinc/64/13/65/564641365.db2.gz BWTHVMJQWWMEQU-NSHDSACASA-N 1 0 398.166 2.544 20 0 GFADRO COc1cc(OC)c(S(=O)(=O)N2CC3(C[C@H]2C)CC[NH2+]CC3)cc1Cl ZINC000521993985 564641593 /nfs/dbraw/zinc/64/15/93/564641593.db2.gz JSDLOUBJNIUIIC-GFCCVEGCSA-N 1 0 388.917 2.510 20 0 GFADRO CNC(=O)COc1cccc(C[NH2+][C@H](C)c2cncc(Br)c2)c1 ZINC000522013449 564641638 /nfs/dbraw/zinc/64/16/38/564641638.db2.gz DIEOWZNNIGXKON-GFCCVEGCSA-N 1 0 378.270 2.820 20 0 GFADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000522101358 564644703 /nfs/dbraw/zinc/64/47/03/564644703.db2.gz CGQZLQZAPRNWEB-IXDOHACOSA-N 1 0 396.329 2.715 20 0 GFADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@H](c1cccs1)N(C)C ZINC000551265971 564644733 /nfs/dbraw/zinc/64/47/33/564644733.db2.gz ROEFINMMMMZKRU-TZMCWYRMSA-N 1 0 384.343 2.953 20 0 GFADRO CN(Cc1ccc(Br)o1)C(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000522255807 564648271 /nfs/dbraw/zinc/64/82/71/564648271.db2.gz KTYJGNFMEHSCJJ-SFHVURJKSA-N 1 0 393.281 2.638 20 0 GFADRO COc1ccc(Br)c(CNC(=O)c2ccn([C@H]3CCC[NH2+]C3)n2)c1 ZINC000486326911 564648720 /nfs/dbraw/zinc/64/87/20/564648720.db2.gz OQMILDXOOZIVOR-ZDUSSCGKSA-N 1 0 393.285 2.509 20 0 GFADRO Cc1cc(Br)cc(NC(=O)C(=O)N2CCC[N@@H+](C(C)C)CC2)c1 ZINC000486384279 564650886 /nfs/dbraw/zinc/65/08/86/564650886.db2.gz WZOUYCHZDQJIKR-UHFFFAOYSA-N 1 0 382.302 2.639 20 0 GFADRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)c1cc(I)c[nH]1 ZINC000522414139 564650999 /nfs/dbraw/zinc/65/09/99/564650999.db2.gz COESXRNGIUFYBT-PHIMTYICSA-N 1 0 375.254 2.612 20 0 GFADRO CC[N@H+](CCNC(=O)C(=O)Nc1cc(Br)c(C)cc1C)C(C)C ZINC000486410243 564651610 /nfs/dbraw/zinc/65/16/10/564651610.db2.gz UFLUYAIDOXHOGM-UHFFFAOYSA-N 1 0 384.318 2.851 20 0 GFADRO C[NH+](C)CC(C)(C)NC(=O)CCC[S@](=O)c1ccc(Br)cc1 ZINC000457203275 564652035 /nfs/dbraw/zinc/65/20/35/564652035.db2.gz IPHQIKUKCVAZBY-QFIPXVFZSA-N 1 0 389.359 2.793 20 0 GFADRO Cc1cc(S(=O)(=O)NCc2ccncc2OCCC[NH+](C)C)c(C)s1 ZINC000573836565 564655822 /nfs/dbraw/zinc/65/58/22/564655822.db2.gz GIGVMXSATGJXEF-UHFFFAOYSA-N 1 0 383.539 2.569 20 0 GFADRO O=C(Nc1ccc2c(c1)C[NH2+]CC2)C(=O)N1CCc2sc(Cl)cc2C1 ZINC000573845407 564656673 /nfs/dbraw/zinc/65/66/73/564656673.db2.gz WDMKORNQPGYRKJ-UHFFFAOYSA-N 1 0 375.881 2.571 20 0 GFADRO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)N1CCOc2ccc(Br)cc2C1 ZINC000573906019 564658703 /nfs/dbraw/zinc/65/87/03/564658703.db2.gz QNLJFZWOFQMGAA-SWLSCSKDSA-N 1 0 382.302 2.871 20 0 GFADRO Brc1ccc2ncnc(N3CC[NH+](CC4CCOCC4)CC3)c2c1 ZINC000522905538 564659540 /nfs/dbraw/zinc/65/95/40/564659540.db2.gz FECHTLKNMYEIIB-UHFFFAOYSA-N 1 0 391.313 2.941 20 0 GFADRO O=C(NCC1=CC[NH2+]CC1)N1CCC(Nc2cccc(Br)c2)CC1 ZINC000573942454 564660889 /nfs/dbraw/zinc/66/08/89/564660889.db2.gz WWHIKNXSQPSTEA-UHFFFAOYSA-N 1 0 393.329 2.955 20 0 GFADRO C[C@@H](NC(=O)NC[C@H]1CCC[N@@H+]1CCCO)c1ccc(Br)cc1 ZINC000457449965 564661359 /nfs/dbraw/zinc/66/13/59/564661359.db2.gz GXXHJCFSIUNYIK-CZUORRHYSA-N 1 0 384.318 2.656 20 0 GFADRO COC(=O)c1cn(CC[NH2+][C@H]2CCCCc3cc(Br)ccc32)nn1 ZINC000551811051 564664136 /nfs/dbraw/zinc/66/41/36/564664136.db2.gz CHSAONYYPIIVHM-HNNXBMFYSA-N 1 0 393.285 2.885 20 0 GFADRO O=S(=O)(c1cccc(OC(F)(F)F)c1)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000574081533 564668142 /nfs/dbraw/zinc/66/81/42/564668142.db2.gz CUUHFYVXFOZHKU-CHWSQXEVSA-N 1 0 378.416 2.595 20 0 GFADRO C[C@@H](NC(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1)c1cccc(Br)c1 ZINC000457654972 564668331 /nfs/dbraw/zinc/66/83/31/564668331.db2.gz CAUOIOPICQMGQA-HZSPNIEDSA-N 1 0 384.318 2.607 20 0 GFADRO CC[N@H+](CCNC(=O)c1nnn(-c2cccc(Br)c2)c1C)C1CC1 ZINC000523610550 564670234 /nfs/dbraw/zinc/67/02/34/564670234.db2.gz BIZVTNPRBWUEEN-UHFFFAOYSA-N 1 0 392.301 2.552 20 0 GFADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@H](C)Cc1cccc(Br)c1 ZINC000523599768 564670297 /nfs/dbraw/zinc/67/02/97/564670297.db2.gz PBBYPOMGPRTKSV-PBHICJAKSA-N 1 0 398.345 2.790 20 0 GFADRO CNC(=O)CCC[NH+]1CCC(C(=O)Nc2ccccc2Br)CC1 ZINC000574169020 564670880 /nfs/dbraw/zinc/67/08/80/564670880.db2.gz XFYWOQGCLJGRPF-UHFFFAOYSA-N 1 0 382.302 2.626 20 0 GFADRO Cn1ncc(Br)c1C[NH2+]CCc1cc(Cl)c2c(c1)OCCO2 ZINC000486964422 564671668 /nfs/dbraw/zinc/67/16/68/564671668.db2.gz HYWWZJSNVNJQFJ-UHFFFAOYSA-N 1 0 386.677 2.940 20 0 GFADRO CC1CC[NH+](C[C@H](O)CNC(=O)COc2c(Cl)cccc2Cl)CC1 ZINC000523870646 564673346 /nfs/dbraw/zinc/67/33/46/564673346.db2.gz DYENKZHBJSFPQK-CYBMUJFWSA-N 1 0 375.296 2.581 20 0 GFADRO CCOC(=O)CC[N@H+](C)[C@H](C)C(=O)N(C)Cc1ccc(Br)cc1 ZINC000487044331 564673423 /nfs/dbraw/zinc/67/34/23/564673423.db2.gz RTZLHELCJUMTFC-CYBMUJFWSA-N 1 0 385.302 2.681 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C(=O)N1CC[C@@H]([NH3+])C[C@H]1C ZINC000574462800 564674340 /nfs/dbraw/zinc/67/43/40/564674340.db2.gz MAVMRXGFGRDFDJ-BXUZGUMPSA-N 1 0 377.286 2.895 20 0 GFADRO Cc1cc(S(=O)(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)ccc1Br ZINC000487120104 564676022 /nfs/dbraw/zinc/67/60/22/564676022.db2.gz OIQPZRAHJRJWDL-CHWSQXEVSA-N 1 0 375.332 2.909 20 0 GFADRO CC[C@@H]1CN(CC[NH2+]Cc2c(Br)cc(OC)cc2OC)CCO1 ZINC000487176912 564678409 /nfs/dbraw/zinc/67/84/09/564678409.db2.gz YXQATXVUQWAIIT-CYBMUJFWSA-N 1 0 387.318 2.667 20 0 GFADRO Cc1ccc(C(=O)N2[C@@H]3CC[C@H]2CC[N@@H+](C)C3)cc1I ZINC000552143871 564678719 /nfs/dbraw/zinc/67/87/19/564678719.db2.gz LUNUMADVNGRIEM-UONOGXRCSA-N 1 0 384.261 2.908 20 0 GFADRO CN(C)c1ccccc1C[NH2+]C[C@H]1CCN(S(=O)(=O)c2cccs2)C1 ZINC000552173594 564679698 /nfs/dbraw/zinc/67/96/98/564679698.db2.gz IXFUXGCMPYRVPY-OAHLLOKOSA-N 1 0 379.551 2.615 20 0 GFADRO C[C@@H]1[NH2+]CC[C@@H]1C(=O)NCc1cc(Cl)cc(I)c1 ZINC000574568825 564680052 /nfs/dbraw/zinc/68/00/52/564680052.db2.gz DNJAVKUBNIKLSE-UFBFGSQYSA-N 1 0 378.641 2.559 20 0 GFADRO CCC[C@@]1(CO)CC[N@H+](CC(=O)N(C)Cc2ccccc2Br)C1 ZINC000574602278 564680576 /nfs/dbraw/zinc/68/05/76/564680576.db2.gz XOJJDPHCYZIDCF-GOSISDBHSA-N 1 0 383.330 2.892 20 0 GFADRO C[NH+](C)C1(CNC(=O)N[C@@H]2C[C@H]2c2cccc(Br)c2)CCOCC1 ZINC000524359093 564681276 /nfs/dbraw/zinc/68/12/76/564681276.db2.gz VEIDMTVCHXGSKT-JKSUJKDBSA-N 1 0 396.329 2.715 20 0 GFADRO [NH3+]CC1(CC(=O)N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)CC1 ZINC000574688119 564684739 /nfs/dbraw/zinc/68/47/39/564684739.db2.gz NOGRLTOGHOQQQV-UHFFFAOYSA-N 1 0 376.810 2.531 20 0 GFADRO CC(C)S(=O)(=O)c1c(Cl)cccc1NC(=O)NC(C)(C)C[NH+](C)C ZINC000574700759 564685805 /nfs/dbraw/zinc/68/58/05/564685805.db2.gz JBOCHSIJSXOPAV-UHFFFAOYSA-N 1 0 375.922 2.984 20 0 GFADRO CCC[N@H+](CC)CCNC(=O)N(CCO)Cc1cccc(Br)c1 ZINC000487442629 564687856 /nfs/dbraw/zinc/68/78/56/564687856.db2.gz PMFGHAHHUFIUKT-UHFFFAOYSA-N 1 0 386.334 2.685 20 0 GFADRO COc1ccc(Br)cc1C(=O)CCC(=O)N(C)CC[NH+]1CCCC1 ZINC000487501543 564689443 /nfs/dbraw/zinc/68/94/43/564689443.db2.gz NQSHABFUTLFEAZ-UHFFFAOYSA-N 1 0 397.313 2.975 20 0 GFADRO CC[NH+](CC)CCCNC(=O)N[C@H](CO)c1ccc(Br)c(F)c1 ZINC000487546520 564690769 /nfs/dbraw/zinc/69/07/69/564690769.db2.gz CYELUFYRTTWGOI-OAHLLOKOSA-N 1 0 390.297 2.653 20 0 GFADRO C[N@@H+]1CCCC[C@H]1CCC(=O)NCCNC(=O)c1ccc(Br)cc1 ZINC000487564899 564691495 /nfs/dbraw/zinc/69/14/95/564691495.db2.gz KOKQBOLGBHMRMT-INIZCTEOSA-N 1 0 396.329 2.560 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)[C@@H]2CC(=O)N(c3cc(Cl)cc(Cl)c3)C2)CC[N@@H+]1C ZINC000525105805 564692760 /nfs/dbraw/zinc/69/27/60/564692760.db2.gz WPNNBDVDSKDGKE-JMSVASOKSA-N 1 0 384.307 2.945 20 0 GFADRO O=C(NCc1ccc(Br)cc1)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000525178000 564694127 /nfs/dbraw/zinc/69/41/27/564694127.db2.gz FJMYROFXTGWETJ-IBGZPJMESA-N 1 0 389.293 2.702 20 0 GFADRO C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000525169852 564694178 /nfs/dbraw/zinc/69/41/78/564694178.db2.gz IKGFOGWNIYQWRM-HOCLYGCPSA-N 1 0 380.330 2.606 20 0 GFADRO C[NH+](C)CCN(Cc1ccsc1)C(=O)CNC(=O)c1cccc(Cl)c1 ZINC000458209865 564694483 /nfs/dbraw/zinc/69/44/83/564694483.db2.gz YYYUOCKFOKJSDG-UHFFFAOYSA-N 1 0 379.913 2.722 20 0 GFADRO CC[NH+](CC)[C@H]1CCN(C(=O)c2cc(=O)c3cc(Br)ccc3[nH]2)C1 ZINC000525213714 564695417 /nfs/dbraw/zinc/69/54/17/564695417.db2.gz PRISADLRAIQEPE-ZDUSSCGKSA-N 1 0 392.297 2.847 20 0 GFADRO CC[C@H]1[NH2+]CC[C@H]1C(=O)N1CCN(Cc2cc(Br)ccc2F)CC1 ZINC000575300737 564695581 /nfs/dbraw/zinc/69/55/81/564695581.db2.gz YBRLRDVXCHGVCY-NVXWUHKLSA-N 1 0 398.320 2.621 20 0 GFADRO C[C@@H](NC(=O)NCC(=O)Nc1cccc(Br)c1)C(C)(C)C[NH+](C)C ZINC000487805669 564696403 /nfs/dbraw/zinc/69/64/03/564696403.db2.gz WKROTVYKNOHSIN-GFCCVEGCSA-N 1 0 399.333 2.663 20 0 GFADRO CC(C)[NH+]1CCC(N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)CC1 ZINC000487881408 564698112 /nfs/dbraw/zinc/69/81/12/564698112.db2.gz YWOQNAPVMIAJBQ-UHFFFAOYSA-N 1 0 385.961 2.519 20 0 GFADRO C[NH+](C)CCn1nccc1NC(=O)[C@@H]1CCc2cc(Br)ccc21 ZINC000575407339 564698342 /nfs/dbraw/zinc/69/83/42/564698342.db2.gz MCRAIVCHUPWHGN-OAHLLOKOSA-N 1 0 377.286 2.876 20 0 GFADRO CS(=O)(=O)C1CCC([NH2+]C[C@H](O)Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000575742301 564702261 /nfs/dbraw/zinc/70/22/61/564702261.db2.gz DNYAMOFHQMLYAN-HWOWSKLDSA-N 1 0 379.444 2.554 20 0 GFADRO COCC[C@H](Cc1cccc(Br)c1)C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000525483094 564702642 /nfs/dbraw/zinc/70/26/42/564702642.db2.gz YQZKNGYFUBYFTB-WBVHZDCISA-N 1 0 383.330 2.855 20 0 GFADRO O=[S@@](CC[N@@H+]1CC[C@@H](CN2CCOCC2)C1)c1cc(Cl)ccc1Cl ZINC000525637400 564704873 /nfs/dbraw/zinc/70/48/73/564704873.db2.gz LNNUVEHFIRSXCY-SHACYNPGSA-N 1 0 391.364 2.755 20 0 GFADRO C[NH+](C)CCN(Cc1ccsc1)C(=O)N[C@@H]1CCO[C@@]2(CCSC2)C1 ZINC000458546803 564705371 /nfs/dbraw/zinc/70/53/71/564705371.db2.gz AOTQAFBLAMZWDU-AEFFLSMTSA-N 1 0 383.583 2.876 20 0 GFADRO CC(C)CN1CCO[C@H](C[NH2+]CCC(=O)Nc2ccc(Br)cc2)C1 ZINC000552956988 564705335 /nfs/dbraw/zinc/70/53/35/564705335.db2.gz BPIVSTYPLBMFEM-QGZVFWFLSA-N 1 0 398.345 2.724 20 0 GFADRO C[C@H]([NH2+]C[C@H](c1ccc(Cl)cc1)N(C)C)c1ccc(S(N)(=O)=O)cc1 ZINC000553098203 564709734 /nfs/dbraw/zinc/70/97/34/564709734.db2.gz NULCRGNRMIQDSW-SCLBCKFNSA-N 1 0 381.929 2.941 20 0 GFADRO CCCN1CCN(C(=O)C(=O)Nc2ccc(C(F)(F)F)cc2Cl)CC1 ZINC000525859216 564710995 /nfs/dbraw/zinc/71/09/95/564710995.db2.gz MAMLJABFTZYFDL-UHFFFAOYSA-N 1 0 377.794 2.852 20 0 GFADRO OC[C@H](C[NH2+]C[C@@H](O)COc1ccc(Br)cc1)Cc1ccccc1 ZINC000576279905 564711206 /nfs/dbraw/zinc/71/12/06/564711206.db2.gz KDMGUSIKXBOAAP-FUHWJXTLSA-N 1 0 394.309 2.630 20 0 GFADRO O=c1cc(C[NH+]2CCC([C@H]3CCCO3)CC2)nc2ccc(Br)cn12 ZINC000525882737 564711964 /nfs/dbraw/zinc/71/19/64/564711964.db2.gz ADQNLNWLEDBKSO-MRXNPFEDSA-N 1 0 392.297 2.848 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+][C@H](CO)[C@H]1CCCOC1 ZINC000576287294 564712077 /nfs/dbraw/zinc/71/20/77/564712077.db2.gz IHCLMXRTPMKIHT-KBXCAEBGSA-N 1 0 394.313 2.820 20 0 GFADRO Cn1cc(C(C)(C)[NH2+]C[C@@H](O)COc2cc(F)cc(Br)c2)cn1 ZINC000525885612 564712052 /nfs/dbraw/zinc/71/20/52/564712052.db2.gz XGGNLQPUEJMGTD-CQSZACIVSA-N 1 0 386.265 2.586 20 0 GFADRO COCCNS(=O)(=O)c1ccc(C[NH2+][C@@H]2CS[C@H](C(C)(C)C)C2)cc1 ZINC000488429824 564712096 /nfs/dbraw/zinc/71/20/96/564712096.db2.gz DGSLCNHCLIDYRC-RDJZCZTQSA-N 1 0 386.583 2.621 20 0 GFADRO C[C@@H](C[N@@H+]1CCC[C@H](S(=O)(=O)N2CCOCC2)C1)c1cccc(Cl)c1 ZINC000526113120 564720479 /nfs/dbraw/zinc/72/04/79/564720479.db2.gz KIZDKZUXFGRKGD-YJBOKZPZSA-N 1 0 386.945 2.570 20 0 GFADRO CN(C[C@H]1CC[N@H+](C)C1)C(=O)NCCC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000458875944 564721349 /nfs/dbraw/zinc/72/13/49/564721349.db2.gz ZCPNWFOUKJMQQH-LBPRGKRZSA-N 1 0 387.311 2.915 20 0 GFADRO CSc1ccc([C@@H](CNC(=O)NCC[C@@H](O)C(F)(F)F)[NH+](C)C)cc1 ZINC000458902134 564722986 /nfs/dbraw/zinc/72/29/86/564722986.db2.gz SMLGDJCEOFPRAE-ZIAGYGMSSA-N 1 0 379.448 2.624 20 0 GFADRO C[NH+](C)CC1CCC(NS(=O)(=O)Cc2cccc(Br)c2)CC1 ZINC000553533766 564724825 /nfs/dbraw/zinc/72/48/25/564724825.db2.gz OLCUZKXBYGXNCW-UHFFFAOYSA-N 1 0 389.359 2.989 20 0 GFADRO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)Cc1ccc(I)cc1 ZINC000488960338 564725238 /nfs/dbraw/zinc/72/52/38/564725238.db2.gz KAZXRBWYCWKFNY-OAHLLOKOSA-N 1 0 386.277 2.632 20 0 GFADRO CCCC[N@H+](C)CCNC(=O)COc1ccc(I)cc1 ZINC000488958039 564725372 /nfs/dbraw/zinc/72/53/72/564725372.db2.gz WURMQYTXHHSLHJ-UHFFFAOYSA-N 1 0 390.265 2.518 20 0 GFADRO C[C@@H](NC(=O)NC1CCC(C[NH+](C)C)CC1)c1ncc(Br)cn1 ZINC000577133906 564726291 /nfs/dbraw/zinc/72/62/91/564726291.db2.gz XXSNPAXOSRNHMY-LKSINWNRSA-N 1 0 384.322 2.720 20 0 GFADRO O=C(NCC[N@H+]1CC=CCC1)c1ccc(-n2cc(Br)cn2)cc1 ZINC000527019078 564726533 /nfs/dbraw/zinc/72/65/33/564726533.db2.gz NWSQAHOZIMUCPW-UHFFFAOYSA-N 1 0 375.270 2.627 20 0 GFADRO C[C@H](O)C[N@@H+]1CCN(C(=O)NC/C=C/c2ccc(Br)cc2)C[C@H]1C ZINC000458984571 564727594 /nfs/dbraw/zinc/72/75/94/564727594.db2.gz VMFFPJSIFYEPDG-RYIMYRPNSA-N 1 0 396.329 2.559 20 0 GFADRO CSc1nnc(CNC(=O)N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)s1 ZINC000527100688 564731146 /nfs/dbraw/zinc/73/11/46/564731146.db2.gz ZJKUSCQJCLMABJ-AWEZNQCLSA-N 1 0 383.587 2.914 20 0 GFADRO O=C(C[NH+]1CCCC1)N1CCN(CCOc2ccc(Cl)cc2Cl)CC1 ZINC000489152677 564731327 /nfs/dbraw/zinc/73/13/27/564731327.db2.gz CGYHOARNJRGJGF-UHFFFAOYSA-N 1 0 386.323 2.612 20 0 GFADRO COCC[N@@H+]1CC[C@@H](NC(=O)N2CC[C@H](Sc3cccc(Cl)c3)C2)C1 ZINC000489164311 564731392 /nfs/dbraw/zinc/73/13/92/564731392.db2.gz CMAUMQNPRGJGCB-WBVHZDCISA-N 1 0 383.945 2.937 20 0 GFADRO CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000553700444 564732810 /nfs/dbraw/zinc/73/28/10/564732810.db2.gz ZJYUDVIQCXPZKI-ZDUSSCGKSA-N 1 0 383.945 2.883 20 0 GFADRO C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+]1CC[C@@](O)(C2CC2)C1 ZINC000489226533 564733332 /nfs/dbraw/zinc/73/33/32/564733332.db2.gz XDTYMFPKEDZAKG-ACJLOTCBSA-N 1 0 381.314 2.643 20 0 GFADRO CC[NH+](CC)[C@H](C)CNC(=O)c1cc(=O)c2cc(Br)ccc2[nH]1 ZINC000527189556 564733411 /nfs/dbraw/zinc/73/34/11/564733411.db2.gz ARIVUVJRWGVPPQ-LLVKDONJSA-N 1 0 380.286 2.751 20 0 GFADRO Cc1cc(CNC(=O)N(C)CCC[N@@H+](C)CCN(C)C)ccc1Br ZINC000459178064 564734251 /nfs/dbraw/zinc/73/42/51/564734251.db2.gz MRFBEKHYXWPHGA-UHFFFAOYSA-N 1 0 399.377 2.782 20 0 GFADRO CC(C)[C@@H]1CN(C(=O)c2cc(I)ccc2F)CC[N@@H+]1C ZINC000489302167 564735004 /nfs/dbraw/zinc/73/50/04/564735004.db2.gz CIPODZBRDDLTSU-AWEZNQCLSA-N 1 0 390.240 2.843 20 0 GFADRO Oc1cccnc1C[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000527240771 564735571 /nfs/dbraw/zinc/73/55/71/564735571.db2.gz BULAOFJTPHZDMO-UHFFFAOYSA-N 1 0 378.270 2.676 20 0 GFADRO CC[NH+](CC)[C@@H]1CCN(C(=O)NCc2nc3c(cccc3Br)[nH]2)C1 ZINC000459217145 564736797 /nfs/dbraw/zinc/73/67/97/564736797.db2.gz PTRQXDCGQDXLEJ-GFCCVEGCSA-N 1 0 394.317 2.951 20 0 GFADRO Cn1cc(N2CC[C@@H]([NH2+][C@H]3CCCc4cc(Br)ccc43)C2=O)cn1 ZINC000527316260 564739145 /nfs/dbraw/zinc/73/91/45/564739145.db2.gz DDDVDINPLINFPA-DLBZAZTESA-N 1 0 389.297 2.955 20 0 GFADRO O=c1cc(C[NH+]2CCC(n3cc(Br)cn3)CC2)nc(C2CC2)[nH]1 ZINC000459334716 564739876 /nfs/dbraw/zinc/73/98/76/564739876.db2.gz AETQHIJBWMCHQX-UHFFFAOYSA-N 1 0 378.274 2.856 20 0 GFADRO C[C@@H]1CN(Cc2cccc(O)c2Br)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000459341905 564740024 /nfs/dbraw/zinc/74/00/24/564740024.db2.gz OUOCYEBCTWHNGN-GDBMZVCRSA-N 1 0 382.346 2.613 20 0 GFADRO COCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](Cc2cccc(O)c2Br)C1 ZINC000459332312 564740217 /nfs/dbraw/zinc/74/02/17/564740217.db2.gz VLLTWTUVVUXDFB-TZMCWYRMSA-N 1 0 385.302 2.518 20 0 GFADRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(S(=O)(=O)N(CC)CC)s2)[C@@H]1SC ZINC000459394206 564742550 /nfs/dbraw/zinc/74/25/50/564742550.db2.gz ZNUGBAMDHHPUGI-FMKPAKJESA-N 1 0 392.612 2.777 20 0 GFADRO C[N@@H+]1CCC[C@@H]2CN(S(=O)(=O)Cc3ccccc3Br)CC[C@H]21 ZINC000553872581 564742574 /nfs/dbraw/zinc/74/25/74/564742574.db2.gz YRJIIKGXOJTDEV-CZUORRHYSA-N 1 0 387.343 2.695 20 0 GFADRO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)NCCn1cc(Br)cn1 ZINC000553881427 564742617 /nfs/dbraw/zinc/74/26/17/564742617.db2.gz HBVMGWYCXCDXGN-HNNXBMFYSA-N 1 0 386.338 2.599 20 0 GFADRO C[C@H](O)C[N@@H+]1CCN(Cc2nc(-c3ccc(Br)cc3)c[nH]2)[C@H](C)C1 ZINC000578345639 564743111 /nfs/dbraw/zinc/74/31/11/564743111.db2.gz UDSKALJNFXRWNO-KGLIPLIRSA-N 1 0 393.329 2.726 20 0 GFADRO CN1CCN([C@H](C[NH2+][C@H]2CCO[C@@H](C(F)(F)F)C2)c2cccs2)CC1 ZINC000578350470 564743285 /nfs/dbraw/zinc/74/32/85/564743285.db2.gz DNKZYNNWXQQYTM-SQWLQELKSA-N 1 0 377.476 2.736 20 0 GFADRO C[C@@H](NS(=O)(=O)c1cccc(OC(F)(F)F)c1F)C(C)(C)C[NH+](C)C ZINC000489550425 564743367 /nfs/dbraw/zinc/74/33/67/564743367.db2.gz JVBCOPSDJJELNR-SNVBAGLBSA-N 1 0 386.411 2.979 20 0 GFADRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1S(=O)(=O)c1cccc(OC(F)(F)F)c1 ZINC000553894457 564743769 /nfs/dbraw/zinc/74/37/69/564743769.db2.gz YMFLJBYFBIXPIJ-DOMZBBRYSA-N 1 0 378.416 2.833 20 0 GFADRO CCC[N@H+](CC)C[C@@H](C)NS(=O)(=O)Cc1ccccc1Br ZINC000578804896 564744228 /nfs/dbraw/zinc/74/42/28/564744228.db2.gz QVZWVTQAOAXNAZ-CYBMUJFWSA-N 1 0 377.348 2.989 20 0 GFADRO NC(=O)c1ncn(C2CC[NH+](CCc3c(Cl)cccc3Cl)CC2)c1N ZINC000459449445 564744546 /nfs/dbraw/zinc/74/45/46/564744546.db2.gz NCSRNOTWDIBTBF-UHFFFAOYSA-N 1 0 382.295 2.751 20 0 GFADRO CCOC(=O)c1cc(Cl)cc(S(=O)(=O)N2CC[C@H]([NH+](CC)CC)C2)c1 ZINC000489584709 564744599 /nfs/dbraw/zinc/74/45/99/564744599.db2.gz OLEZSHZIAUOXEK-HNNXBMFYSA-N 1 0 388.917 2.622 20 0 GFADRO C[C@@H]([NH2+]Cc1ccc(S(=O)(=O)N(C)C)cc1)c1cncc(Br)c1 ZINC000579258818 564746344 /nfs/dbraw/zinc/74/63/44/564746344.db2.gz AMNGLRPDSFDLPU-GFCCVEGCSA-N 1 0 398.326 2.945 20 0 GFADRO CCC[C@H](C)CS(=O)(=O)N(C[C@@H](O)CC(C)(C)C)C1CC[NH+](C)CC1 ZINC000579259996 564746403 /nfs/dbraw/zinc/74/64/03/564746403.db2.gz RTAGXPZOOZBIRT-WMZOPIPTSA-N 1 0 376.607 2.946 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCCN(S(=O)(=O)N(C)C)C1)c1cc(Cl)ccc1Cl ZINC000554096129 564749964 /nfs/dbraw/zinc/74/99/64/564749964.db2.gz XRYJICWPYNQZDU-WCQYABFASA-N 1 0 380.341 2.915 20 0 GFADRO CN(C)S(=O)(=O)N1CCC[C@@H]([NH2+][C@H]2CCSc3ccc(Cl)cc32)C1 ZINC000554091349 564750215 /nfs/dbraw/zinc/75/02/15/564750215.db2.gz GPMNMXUWEDNMSE-HIFRSBDPSA-N 1 0 389.974 2.737 20 0 GFADRO CS(=O)(=O)c1ccc(-c2nc(CN3CCCC[C@@H]3CC[NH3+])cs2)cc1 ZINC000489799264 564753689 /nfs/dbraw/zinc/75/36/89/564753689.db2.gz IKPKHHOXMQACKM-MRXNPFEDSA-N 1 0 379.551 2.917 20 0 GFADRO CNC(=O)[C@H](CCSC)[NH2+]C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000489798209 564753733 /nfs/dbraw/zinc/75/37/33/564753733.db2.gz DRLAOIUXUOZPBE-KRWDZBQOSA-N 1 0 387.952 2.901 20 0 GFADRO C[C@H](Cc1ccccc1C(F)(F)F)[N@H+](C)C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000554275406 564755524 /nfs/dbraw/zinc/75/55/24/564755524.db2.gz UBPZIQCLTJXVMP-KGLIPLIRSA-N 1 0 378.460 2.850 20 0 GFADRO CCOC(=O)c1cc(Cl)cc(S(=O)(=O)N(C)CCC[NH+]2CCCC2)c1 ZINC000489871678 564756372 /nfs/dbraw/zinc/75/63/72/564756372.db2.gz KOXFYNLKHDERTM-UHFFFAOYSA-N 1 0 388.917 2.623 20 0 GFADRO CC1(C)Cc2ccc(Br)cc2[C@H]1NC(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000554298399 564756840 /nfs/dbraw/zinc/75/68/40/564756840.db2.gz BMVQBBKQQRMKGI-IAGOWNOFSA-N 1 0 392.341 2.579 20 0 GFADRO CC(C)[C@@H](CO)C[NH2+][C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000580416115 564757377 /nfs/dbraw/zinc/75/73/77/564757377.db2.gz XJWIJAMJMMGNHP-RISCZKNCSA-N 1 0 376.316 2.522 20 0 GFADRO COc1ccc(C[NH2+]C2(CO)CCSCC2)c(Br)c1OC ZINC000459705749 564758032 /nfs/dbraw/zinc/75/80/32/564758032.db2.gz HGXVSBJZQQFCNI-UHFFFAOYSA-N 1 0 376.316 2.814 20 0 GFADRO C[C@@H]([NH2+]CC1(N2CCOCC2)CCOCC1)c1ccc(Br)cc1 ZINC000459725400 564758440 /nfs/dbraw/zinc/75/84/40/564758440.db2.gz ZWROAYPRBCBNGW-OAHLLOKOSA-N 1 0 383.330 2.981 20 0 GFADRO O=C(c1sc2ncccc2c1Cl)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000527731533 564758421 /nfs/dbraw/zinc/75/84/21/564758421.db2.gz UDGZDGJCDHPVPT-UHFFFAOYSA-N 1 0 378.929 2.803 20 0 GFADRO CC1([NH+]2CCOCC2)CCN(C(=O)NCc2ccc(Br)cc2)CC1 ZINC000527729561 564758463 /nfs/dbraw/zinc/75/84/63/564758463.db2.gz PQUNJVRYOGYOMW-UHFFFAOYSA-N 1 0 396.329 2.845 20 0 GFADRO Cc1cccc(CC(=O)N2CCN(CC[NH+]3CCCC3)CC2)c1Br ZINC000527726948 564758612 /nfs/dbraw/zinc/75/86/12/564758612.db2.gz KEAQJMUEMJATIA-UHFFFAOYSA-N 1 0 394.357 2.540 20 0 GFADRO CC(C)[C@@H](CO)C[NH2+]C[C@H](O)COc1ccc(Cl)cc1Br ZINC000580444953 564759616 /nfs/dbraw/zinc/75/96/16/564759616.db2.gz CGLWOXZFJOQJPE-YPMHNXCESA-N 1 0 380.710 2.696 20 0 GFADRO COc1cc(C[NH2+]C[C@@H](O)[C@H]2CCCO2)cc(Br)c1OC(F)F ZINC000527759346 564759750 /nfs/dbraw/zinc/75/97/50/564759750.db2.gz SXQZHWXGBMEWRN-VXGBXAGGSA-N 1 0 396.228 2.689 20 0 GFADRO COc1sc(C[NH2+][C@]2(CO)COc3ccccc3C2)cc1Br ZINC000527770334 564760316 /nfs/dbraw/zinc/76/03/16/564760316.db2.gz URTBQAFPRDEEHB-MRXNPFEDSA-N 1 0 384.295 2.975 20 0 GFADRO COc1ccc(Br)cc1C[NH2+][C@]1(CO)COc2ccccc2C1 ZINC000527769261 564760350 /nfs/dbraw/zinc/76/03/50/564760350.db2.gz ZEIMTFCKLGUZLJ-GOSISDBHSA-N 1 0 378.266 2.914 20 0 GFADRO O=S(=O)(c1ccc(Cl)c(Br)c1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000490063603 564762006 /nfs/dbraw/zinc/76/20/06/564762006.db2.gz XIVOHNOTDUJGAC-CQSZACIVSA-N 1 0 393.734 2.867 20 0 GFADRO C[C@H]([NH2+]CCC(=O)N1CCN(C)CC1)c1cc(F)c(Br)cc1F ZINC000527858912 564763480 /nfs/dbraw/zinc/76/34/80/564763480.db2.gz NASXFWUDMOBVSI-NSHDSACASA-N 1 0 390.272 2.542 20 0 GFADRO COc1ccc(Br)c(CS(=O)(=O)Nc2cc(C)[nH+]cc2C)c1 ZINC000554539233 564764819 /nfs/dbraw/zinc/76/48/19/564764819.db2.gz BCUGKQJCZASRBA-UHFFFAOYSA-N 1 0 385.283 2.833 20 0 GFADRO C[C@@H](C[NH+](C)C)NC(=O)NCc1cc(Br)ccc1OC(F)F ZINC000490158819 564764842 /nfs/dbraw/zinc/76/48/42/564764842.db2.gz UMOGRLWRDRRTGA-VIFPVBQESA-N 1 0 380.233 2.800 20 0 GFADRO C[C@@H]([NH2+]C[C@@]1(CO)COCC2(CCC2)N1C)c1ccccc1Br ZINC000527953727 564765254 /nfs/dbraw/zinc/76/52/54/564765254.db2.gz XZPFBFIFEMRLNM-RDTXWAMCSA-N 1 0 383.330 2.716 20 0 GFADRO O=S(=O)(c1ccc(Cl)c(Cl)c1)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000528060551 564768905 /nfs/dbraw/zinc/76/89/05/564768905.db2.gz KUXSLLOGAFDXDM-CYBMUJFWSA-N 1 0 393.336 2.773 20 0 GFADRO O=S(=O)(c1csc2ccccc21)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000528060904 564769070 /nfs/dbraw/zinc/76/90/70/564769070.db2.gz MSGGVWILXXXYGI-HNNXBMFYSA-N 1 0 380.535 2.681 20 0 GFADRO CC[NH+](CC)CCNC(=O)CCOc1cccc(I)c1 ZINC000490420454 564770104 /nfs/dbraw/zinc/77/01/04/564770104.db2.gz ZEZFVLDZQMRRMN-UHFFFAOYSA-N 1 0 390.265 2.518 20 0 GFADRO CN1CCC[C@@H]([NH2+]Cc2cc(Br)cc(Br)c2)C1=O ZINC000554718687 564771013 /nfs/dbraw/zinc/77/10/13/564771013.db2.gz YRFBWDFWTDWWQW-GFCCVEGCSA-N 1 0 376.092 2.922 20 0 GFADRO CC[C@H]([NH2+]C[C@@H]1CCCCN1S(=O)(=O)N(C)C)c1cc(F)ccc1F ZINC000554740105 564771597 /nfs/dbraw/zinc/77/15/97/564771597.db2.gz AJKMFBHULHVUCS-YOEHRIQHSA-N 1 0 375.485 2.666 20 0 GFADRO CC1=CC[N@H+](CCNC(=O)NCCNc2cccc(Br)c2)CC1 ZINC000460227872 564772379 /nfs/dbraw/zinc/77/23/79/564772379.db2.gz HTQKTLPIZFNEDK-UHFFFAOYSA-N 1 0 381.318 2.812 20 0 GFADRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]CC(=O)N(C)Cc3ccc(Cl)s3)[C@@H]2C1 ZINC000554746164 564772577 /nfs/dbraw/zinc/77/25/77/564772577.db2.gz SGHQMYGKNAAGQN-IMJJTQAJSA-N 1 0 383.945 2.597 20 0 GFADRO Cc1ccc(C)c(OC[C@H](O)C[N@H+](C)CCn2cc(Br)cn2)c1C ZINC000554749919 564772862 /nfs/dbraw/zinc/77/28/62/564772862.db2.gz ZPKBMMCZMIKVLP-QGZVFWFLSA-N 1 0 396.329 2.943 20 0 GFADRO CN(C)c1ncc(Br)cc1C(=O)N1CCC[N@H+](CC2CCC2)CC1 ZINC000554845752 564774380 /nfs/dbraw/zinc/77/43/80/564774380.db2.gz XSTUMBKRHOPDNE-UHFFFAOYSA-N 1 0 395.345 2.858 20 0 GFADRO C[N@@H+]1CCCN(C(=O)c2ccccc2NC(=O)[C@H]2C[C@]2(C)Br)CC1 ZINC000528333834 564777428 /nfs/dbraw/zinc/77/74/28/564777428.db2.gz CUJXVIKZUQUBKS-KDOFPFPSSA-N 1 0 394.313 2.576 20 0 GFADRO COc1ccc(OCC(=O)NC2CC[NH+](C3CC3)CC2)c(Br)c1 ZINC000460657614 564778455 /nfs/dbraw/zinc/77/84/55/564778455.db2.gz QLLRTVQLPIEZPB-UHFFFAOYSA-N 1 0 383.286 2.580 20 0 GFADRO CSC1(CNC(=O)Nc2nnc(-c3ccccc3)s2)CC[NH+](C)CC1 ZINC000554958447 564779076 /nfs/dbraw/zinc/77/90/76/564779076.db2.gz HXQMUSGTSQGOGS-UHFFFAOYSA-N 1 0 377.539 3.154 20 0 GFADRO C[N@H+](C[C@H](O)CNCc1cc(Br)ccc1Br)C1CC1 ZINC000580948145 564781565 /nfs/dbraw/zinc/78/15/65/564781565.db2.gz CQPBKIZTMFMUEH-CYBMUJFWSA-N 1 0 392.135 2.756 20 0 GFADRO CSC1(CNC(=O)[C@H]2COc3ccc(Br)cc32)CC[NH+](C)CC1 ZINC000555072479 564781713 /nfs/dbraw/zinc/78/17/13/564781713.db2.gz IENXQHJCOILCPG-AWEZNQCLSA-N 1 0 399.354 2.869 20 0 GFADRO C[NH+](C)CCn1nnnc1SCc1cc(Cl)ccc1Br ZINC000460871330 564782974 /nfs/dbraw/zinc/78/29/74/564782974.db2.gz ZMLMUKLAMORWRD-UHFFFAOYSA-N 1 0 376.711 2.943 20 0 GFADRO Cn1cc(Br)cc(NC(=O)[C@H]2CC[N@H+](Cc3ccccc3)C2)c1=O ZINC000581019985 564783735 /nfs/dbraw/zinc/78/37/35/564783735.db2.gz DRUJLCFHDFBVJU-AWEZNQCLSA-N 1 0 390.281 2.608 20 0 GFADRO COc1cc([C@H](C)[NH2+]C[C@H](O)COc2ccccc2Br)ccn1 ZINC000581200654 564792117 /nfs/dbraw/zinc/79/21/17/564792117.db2.gz QWLUSOOXYBVAQG-JSGCOSHPSA-N 1 0 381.270 2.943 20 0 GFADRO Cc1sc2ncnc(SCCC(=O)N3CC[C@@H]4C[NH2+]C[C@@H]4C3)c2c1C ZINC000581192907 564792550 /nfs/dbraw/zinc/79/25/50/564792550.db2.gz ALNPPXBKLOYLMM-ZIAGYGMSSA-N 1 0 376.551 2.858 20 0 GFADRO Cc1cc(Br)ccc1CC(=O)Nc1ccc(N2CC[NH2+]CC2)cn1 ZINC000581245576 564794451 /nfs/dbraw/zinc/79/44/51/564794451.db2.gz BEPVAMMHOOWYDB-UHFFFAOYSA-N 1 0 389.297 2.743 20 0 GFADRO CC(C)(C)[N@@H+](Cc1ccc(Br)cc1)C[C@@H](O)CN1CCOCC1 ZINC000528593436 564796529 /nfs/dbraw/zinc/79/65/29/564796529.db2.gz OJKPTTDBGPZLKP-KRWDZBQOSA-N 1 0 385.346 2.743 20 0 GFADRO COC(=O)CCC[C@H]1CCC[C@H]([NH2+]CCNS(=O)(=O)c2cccs2)C1 ZINC000555564861 564797580 /nfs/dbraw/zinc/79/75/80/564797580.db2.gz VLCIJMKUWLNXQP-CABCVRRESA-N 1 0 388.555 2.518 20 0 GFADRO Cc1cc(Br)cc2c1[C@H]([NH2+][C@@H]1CCCN(S(C)(=O)=O)C1)CC2 ZINC000492050666 564797706 /nfs/dbraw/zinc/79/77/06/564797706.db2.gz UAZASEMFJMMFJT-HUUCEWRRSA-N 1 0 387.343 2.758 20 0 GFADRO CC(C)[N@H+](C)C[C@@H](C)NC(=O)c1cc(=O)c2cc(Br)ccc2[nH]1 ZINC000555627490 564799600 /nfs/dbraw/zinc/79/96/00/564799600.db2.gz KNBUJAMQXSYACW-LLVKDONJSA-N 1 0 380.286 2.749 20 0 GFADRO [NH3+]CC1(NC(=O)Nc2cc(Br)ccc2N2CCCC2)CCOCC1 ZINC000528684342 564800989 /nfs/dbraw/zinc/80/09/89/564800989.db2.gz ZISNLDSVNYXTIN-UHFFFAOYSA-N 1 0 397.317 2.679 20 0 GFADRO OC[C@H]([NH2+]Cc1ccc(-n2cncn2)cc1)c1ccc(Br)c(F)c1 ZINC000492313588 564801759 /nfs/dbraw/zinc/80/17/59/564801759.db2.gz PKZXKGBYGGINPD-KRWDZBQOSA-N 1 0 391.244 2.992 20 0 GFADRO CCC[N@H+](CC)C[C@H](C)NC(=O)c1ccc(I)c(O)c1 ZINC000461640160 564802555 /nfs/dbraw/zinc/80/25/55/564802555.db2.gz LXZFFRZETSQXEP-NSHDSACASA-N 1 0 390.265 2.847 20 0 GFADRO CNC(=O)[C@H](C)[NH2+]Cc1cn(-c2ccc(Br)cc2)nc1C(C)C ZINC000492489351 564802817 /nfs/dbraw/zinc/80/28/17/564802817.db2.gz XBTRJWBCUPVMCJ-LBPRGKRZSA-N 1 0 379.302 2.982 20 0 GFADRO O=C(CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[S@]2=O)Nc1ccc(Br)cc1 ZINC000528786490 564805520 /nfs/dbraw/zinc/80/55/20/564805520.db2.gz ZIRHLZBPRLABRP-GTQRCTGISA-N 1 0 385.327 2.763 20 0 GFADRO C[C@H]1CC[C@H](C)[NH+]1CC(=O)Nc1ncn(Cc2cccc(Br)c2)n1 ZINC000461977627 564809986 /nfs/dbraw/zinc/80/99/86/564809986.db2.gz CEMVDCAYKPGUPG-STQMWFEESA-N 1 0 392.301 2.900 20 0 GFADRO O=S(=O)(NCCC[NH+]1CCCC1)c1cccc(Cl)c1Br ZINC000493605636 564810074 /nfs/dbraw/zinc/81/00/74/564810074.db2.gz NNCULPRZODZKBK-UHFFFAOYSA-N 1 0 381.723 2.867 20 0 GFADRO [NH3+]CC1(O)CCN(C(=O)C2(c3ccc(Br)cc3)CCCC2)CC1 ZINC000581602193 564810321 /nfs/dbraw/zinc/81/03/21/564810321.db2.gz NULIZQNHYOOCBB-UHFFFAOYSA-N 1 0 381.314 2.573 20 0 GFADRO CC[NH+](CC)[C@H](CNC(=O)C(=O)N1C[C@@H](C)S[C@@H](C)C1)c1ccsc1 ZINC000556058352 564811356 /nfs/dbraw/zinc/81/13/56/564811356.db2.gz GBQZDSDFCDGDQS-IJEWVQPXSA-N 1 0 383.583 2.600 20 0 GFADRO C[C@@H]1CC[C@H]([NH2+]CC(=O)Nc2ccc(Br)cc2)[C@@H](n2cncn2)C1 ZINC000556061926 564811365 /nfs/dbraw/zinc/81/13/65/564811365.db2.gz FTMYJQNHSPLRAG-KCXAZCMYSA-N 1 0 392.301 2.999 20 0 GFADRO CC(C)[N@H+](C)C[C@H](C)NC(=O)NC[C@H](O)COc1cccc(Cl)c1Cl ZINC000462016560 564811997 /nfs/dbraw/zinc/81/19/97/564811997.db2.gz RHUNSXXOEREGQW-STQMWFEESA-N 1 0 392.327 2.761 20 0 GFADRO COc1cc(Cl)c(S(=O)(=O)NCC[N@H+]2[C@H](C)CCC[C@@H]2C)cc1OC ZINC000556092202 564812274 /nfs/dbraw/zinc/81/22/74/564812274.db2.gz ZDUMMOCEJLUGTI-BETUJISGSA-N 1 0 390.933 2.898 20 0 GFADRO COc1cc2[nH+]ccc(N[C@H]3CCC(=O)N[C@@H]3C3CC3)c2cc1Br ZINC000581663364 564812509 /nfs/dbraw/zinc/81/25/09/564812509.db2.gz TXWDWOPIEZCBFJ-KBXCAEBGSA-N 1 0 390.281 2.897 20 0 GFADRO C[NH+](C)C[C@@H]1CCCN1S(=O)(=O)c1cccc(Cl)c1Br ZINC000493924938 564814290 /nfs/dbraw/zinc/81/42/90/564814290.db2.gz JPHQNZOFBIURON-JTQLQIEISA-N 1 0 381.723 2.817 20 0 GFADRO CCOc1cc(C[NH2+][C@@H]2C[C@@H]3CCCCN3C2=O)cc(Br)c1O ZINC000581711920 564814857 /nfs/dbraw/zinc/81/48/57/564814857.db2.gz AWXXMWZSAPVMTL-GXTWGEPZSA-N 1 0 383.286 2.796 20 0 GFADRO CCC[N@@H+]1CCC[C@H]1CNS(=O)(=O)CCc1ccccc1Br ZINC000462072253 564816048 /nfs/dbraw/zinc/81/60/48/564816048.db2.gz QZFPVGRPEWUJGV-HNNXBMFYSA-N 1 0 389.359 2.785 20 0 GFADRO Cc1nc(NC(=O)N2CCC(C)([NH+]3CCOCC3)CC2)ccc1Br ZINC000529062446 564816758 /nfs/dbraw/zinc/81/67/58/564816758.db2.gz QLEKHZMJEWWQCC-UHFFFAOYSA-N 1 0 397.317 2.871 20 0 GFADRO CC(C)N1C(=O)C[C@H]([NH2+]CCCS(C)(=O)=O)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000494217600 564820357 /nfs/dbraw/zinc/82/03/57/564820357.db2.gz WUPUNYZEKHUKLB-RDJZCZTQSA-N 1 0 390.908 2.554 20 0 GFADRO CCn1cc(Br)c(=O)c(NC(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)c1 ZINC000529129374 564820640 /nfs/dbraw/zinc/82/06/40/564820640.db2.gz MQTFFYAUCFRNQX-CYBMUJFWSA-N 1 0 397.317 2.769 20 0 GFADRO CNC(=O)NC(=O)[C@H](C)[NH+]1CCC(COc2cc(Cl)cc(Cl)c2)CC1 ZINC000581857525 564820798 /nfs/dbraw/zinc/82/07/98/564820798.db2.gz XCZPPFHBDBNYRQ-NSHDSACASA-N 1 0 388.295 2.928 20 0 GFADRO O=C(Nc1cc(Br)ccc1-n1cncn1)c1ccc2c[nH+]cn2c1 ZINC000556355332 564821029 /nfs/dbraw/zinc/82/10/29/564821029.db2.gz LUSGNISJTIPMBR-UHFFFAOYSA-N 1 0 383.209 2.930 20 0 GFADRO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)C[NH2+][C@]1(C)CCO[C@H]1C ZINC000494256779 564821078 /nfs/dbraw/zinc/82/10/78/564821078.db2.gz LSXCOTIPJJCNBJ-XXFAHNHDSA-N 1 0 375.252 2.876 20 0 GFADRO [NH3+][C@@H]1CCc2ncc(NC(=O)c3csc(I)c3)cc2C1 ZINC000581879139 564821579 /nfs/dbraw/zinc/82/15/79/564821579.db2.gz OYVXKFJKOHOCLR-SNVBAGLBSA-N 1 0 399.257 2.816 20 0 GFADRO C[C@@H](C[NH2+]C1CCN(Cc2cccc(C(F)(F)F)c2)CC1)S(C)(=O)=O ZINC000556420821 564825393 /nfs/dbraw/zinc/82/53/93/564825393.db2.gz BEUPRQNRGFJDGU-ZDUSSCGKSA-N 1 0 378.460 2.693 20 0 GFADRO COCC1(C(=O)Nc2nnc(SCc3cccs3)s2)CC[NH2+]CC1 ZINC000582001104 564826377 /nfs/dbraw/zinc/82/63/77/564826377.db2.gz WNWUQJNZHUMSBC-UHFFFAOYSA-N 1 0 384.552 2.847 20 0 GFADRO C[NH+](C)CCc1ccc(CNS(=O)(=O)c2nc3ccccc3s2)cc1 ZINC000582000854 564826728 /nfs/dbraw/zinc/82/67/28/564826728.db2.gz IMYLRERFUWCEKW-UHFFFAOYSA-N 1 0 375.519 2.879 20 0 GFADRO O=C(N[C@H]1CCN(c2ccccc2Br)C1)N[C@H]1CC[NH2+]C12CCC2 ZINC000529303401 564828437 /nfs/dbraw/zinc/82/84/37/564828437.db2.gz FPWJNQLESFNGGL-BBRMVZONSA-N 1 0 393.329 2.612 20 0 GFADRO CC[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2ccc(C)c(Br)c2)C1 ZINC000462258409 564829136 /nfs/dbraw/zinc/82/91/36/564829136.db2.gz PUNKEBMPUJLSEW-ZDUSSCGKSA-N 1 0 375.332 2.768 20 0 GFADRO C[NH+](C)CCCCC(=O)NC[C@H](CO)Cc1ccc(F)c(Br)c1 ZINC000582106481 564831195 /nfs/dbraw/zinc/83/11/95/564831195.db2.gz VRDQQXSYDWCJJJ-CQSZACIVSA-N 1 0 389.309 2.587 20 0 GFADRO C[C@H]1CN(C2CC2)C[C@@H]1[NH2+]Cc1cc(C(F)(F)F)cc(S(C)(=O)=O)c1 ZINC000556575202 564831341 /nfs/dbraw/zinc/83/13/41/564831341.db2.gz ZEFCYFULSIXXBI-ZBEGNZNMSA-N 1 0 376.444 2.681 20 0 GFADRO Cc1cc(C[NH2+]C[C@@H](O)CCOC(C)C)ccc1I ZINC000582117997 564831603 /nfs/dbraw/zinc/83/16/03/564831603.db2.gz RSZPKZSLADOOSB-AWEZNQCLSA-N 1 0 377.266 2.865 20 0 GFADRO C[NH2+]C[C@H]1CCCN(C(=O)NCc2cc(F)c(Br)cc2F)C1 ZINC000529370527 564831899 /nfs/dbraw/zinc/83/18/99/564831899.db2.gz PULYQYUORVCARF-SNVBAGLBSA-N 1 0 376.245 2.868 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)NCc2cc(F)c(Br)cc2F)C1 ZINC000529369475 564831996 /nfs/dbraw/zinc/83/19/96/564831996.db2.gz HXPWGVVLBMKZDW-NXEZZACHSA-N 1 0 376.245 2.996 20 0 GFADRO C[C@H](NC(=O)CC[C@H]1CCC[NH2+]1)c1cc2c(cc1Br)OCCO2 ZINC000494527095 564832105 /nfs/dbraw/zinc/83/21/05/564832105.db2.gz JHAVQSLGZSRWMQ-NWDGAFQWSA-N 1 0 383.286 2.930 20 0 GFADRO O=C(NC[C@@H]1COCC[NH2+]1)NC1(c2ccccc2Br)CCCCC1 ZINC000529390751 564832804 /nfs/dbraw/zinc/83/28/04/564832804.db2.gz VUFJYMNYMMPUBC-CQSZACIVSA-N 1 0 396.329 2.896 20 0 GFADRO CCN(CC)S(=O)(=O)c1cc(NC(=O)CC[C@H]2CCC[NH2+]2)ccc1Cl ZINC000494562558 564833953 /nfs/dbraw/zinc/83/39/53/564833953.db2.gz GDFKYJKXVCPHMA-CYBMUJFWSA-N 1 0 387.933 2.841 20 0 GFADRO C[N@@H+]1CCC[C@H]1[C@H]1COCCN1C(=O)[C@@H]1C[C@H]1c1csc(Br)c1 ZINC000529427194 564834899 /nfs/dbraw/zinc/83/48/99/564834899.db2.gz QGNLZPMHZFXPPJ-LJISPDSOSA-N 1 0 399.354 2.936 20 0 GFADRO Cc1ccsc1[C@H](CO)[NH2+]CC(=O)NCCc1nc2ccccc2s1 ZINC000494626053 564835805 /nfs/dbraw/zinc/83/58/05/564835805.db2.gz NQJAREPKLIFERY-AWEZNQCLSA-N 1 0 375.519 2.648 20 0 GFADRO CN(CC(=O)Nc1ccccc1Br)C(=O)C[C@H]1CCCC[C@@H]1[NH3+] ZINC000582298885 564839874 /nfs/dbraw/zinc/83/98/74/564839874.db2.gz IIRURGKOZLLUKG-OCCSQVGLSA-N 1 0 382.302 2.754 20 0 GFADRO C[N@H+](CCN1CCOCC1)Cc1c[nH]nc1-c1ccc(Br)s1 ZINC000529532455 564841077 /nfs/dbraw/zinc/84/10/77/564841077.db2.gz VFARENLBGCJKDO-UHFFFAOYSA-N 1 0 385.331 2.665 20 0 GFADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)NCC2([NH+](C)C)CCCCC2)c1 ZINC000462466977 564841863 /nfs/dbraw/zinc/84/18/63/564841863.db2.gz IFYIKVDNSDRFGP-UHFFFAOYSA-N 1 0 388.917 2.669 20 0 GFADRO C[C@@H](NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)c1ncc(Br)cn1 ZINC000582397385 564844396 /nfs/dbraw/zinc/84/43/96/564844396.db2.gz IIYJKHUIOKDECS-SNVBAGLBSA-N 1 0 384.322 2.909 20 0 GFADRO O[C@@H](C[NH2+]C[C@@H]1CCN(CC(F)(F)F)C1)COCc1ccc(Cl)cc1 ZINC000582415260 564845382 /nfs/dbraw/zinc/84/53/82/564845382.db2.gz JNDJCHHFFWMHOM-HOCLYGCPSA-N 1 0 380.838 2.691 20 0 GFADRO CC1([NH+]2CCOCC2)CCN(Cc2cnc3ccc(Br)cn23)CC1 ZINC000529663964 564845989 /nfs/dbraw/zinc/84/59/89/564845989.db2.gz OQAKMDRVROXQEO-UHFFFAOYSA-N 1 0 393.329 2.784 20 0 GFADRO CC[N@@H+]1CC[C@H]2OCCN(Cc3ccc(C(=O)OC)cc3Br)[C@H]2C1 ZINC000556928823 564847013 /nfs/dbraw/zinc/84/70/13/564847013.db2.gz LEMSZTTYIBXDPV-DLBZAZTESA-N 1 0 397.313 2.531 20 0 GFADRO C[C@@H]([NH2+]C[C@@H]1CCCCN1S(C)(=O)=O)c1nc2ccc(Cl)cc2n1C ZINC000556922461 564847033 /nfs/dbraw/zinc/84/70/33/564847033.db2.gz BWSIRLFFJRTLCV-OCCSQVGLSA-N 1 0 384.933 2.691 20 0 GFADRO O=S(=O)(c1cccc2c(Cl)ccnc21)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000582486953 564848501 /nfs/dbraw/zinc/84/85/01/564848501.db2.gz HIEXXRIBSRKFOL-KGLIPLIRSA-N 1 0 379.913 2.898 20 0 GFADRO COc1ccc(CN2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)c(Br)c1O ZINC000556964139 564848782 /nfs/dbraw/zinc/84/87/82/564848782.db2.gz GEINHKPIZMBWKP-RDTXWAMCSA-N 1 0 399.329 2.882 20 0 GFADRO O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)[C@H](Oc1ccc(Br)cc1)c1ccccc1 ZINC000495145012 564849864 /nfs/dbraw/zinc/84/98/64/564849864.db2.gz DPAXTLSSIXZQKZ-VSZNYVQBSA-N 1 0 387.277 2.903 20 0 GFADRO COC(=O)c1cc(Br)cc(C(=O)NCC2(C)CC[NH+](C)CC2)c1 ZINC000462596704 564851271 /nfs/dbraw/zinc/85/12/71/564851271.db2.gz RHMYKJJTBKRSOC-UHFFFAOYSA-N 1 0 383.286 2.697 20 0 GFADRO C[NH+](C)[C@H]1CN(C(=O)[C@H]2CCCO[C@@H]2c2ccc(Cl)cc2Cl)C[C@@H]1O ZINC000582618266 564854393 /nfs/dbraw/zinc/85/43/93/564854393.db2.gz ZCLPDOVELVCMKD-QSPRXWTASA-N 1 0 387.307 2.594 20 0 GFADRO Cc1nc(C(=O)N2CCC(C)([NH+]3CCOCC3)CC2)c(Br)s1 ZINC000529909304 564856356 /nfs/dbraw/zinc/85/63/56/564856356.db2.gz RSXDSLBSOIOCCB-UHFFFAOYSA-N 1 0 388.331 2.541 20 0 GFADRO COc1cccc(CC[NH2+][C@H](C)Cn2cc(Br)ccc2=O)c1OC ZINC000582653289 564856401 /nfs/dbraw/zinc/85/64/01/564856401.db2.gz NPKGQCMRABFLQD-CYBMUJFWSA-N 1 0 395.297 2.849 20 0 GFADRO O=S(=O)(NCC[NH2+][C@H]1CCCc2ccc(O)cc21)c1cccc(Cl)c1 ZINC000462807770 564858850 /nfs/dbraw/zinc/85/88/50/564858850.db2.gz BKRQQWREARPFHI-SFHVURJKSA-N 1 0 380.897 2.991 20 0 GFADRO CN(CC[NH+]1CCCC1)c1ncnc2ccc(I)cc21 ZINC000462819380 564858950 /nfs/dbraw/zinc/85/89/50/564858950.db2.gz LXTCYPWZXFMLOD-UHFFFAOYSA-N 1 0 382.249 2.766 20 0 GFADRO O[C@@H](C[NH2+]Cc1cc(Cl)cc(Br)c1)COC1CCOCC1 ZINC000582721212 564859238 /nfs/dbraw/zinc/85/92/38/564859238.db2.gz XCNVRAQGDGKWKV-AWEZNQCLSA-N 1 0 378.694 2.749 20 0 GFADRO CCN(Cc1ccccc1Br)C[C@H](O)C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000557295110 564859429 /nfs/dbraw/zinc/85/94/29/564859429.db2.gz LETZMYUJJZNNLS-INMHGKMJSA-N 1 0 385.346 2.741 20 0 GFADRO OC1(C[NH2+]Cc2cn(-c3ccccc3Br)nn2)Cc2ccccc2C1 ZINC000582755172 564859898 /nfs/dbraw/zinc/85/98/98/564859898.db2.gz INJUWRSMYPCUID-UHFFFAOYSA-N 1 0 399.292 2.649 20 0 GFADRO O=C(Nc1nnc(-c2c(Cl)cccc2Cl)s1)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000530031293 564860098 /nfs/dbraw/zinc/86/00/98/564860098.db2.gz FICLTRVSNXVPPC-LBPRGKRZSA-N 1 0 398.319 2.840 20 0 GFADRO Cc1nc(NC(=O)NC2C[NH2+]C2)sc1Cc1cccc(Br)c1 ZINC000582773220 564860946 /nfs/dbraw/zinc/86/09/46/564860946.db2.gz DFYODORZEQCULW-UHFFFAOYSA-N 1 0 381.299 2.898 20 0 GFADRO CN(CCNC(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)cc1)CC(F)(F)F ZINC000582849263 564864933 /nfs/dbraw/zinc/86/49/33/564864933.db2.gz KPEQNPHAKXQZDT-CQSZACIVSA-N 1 0 380.842 2.736 20 0 GFADRO C[C@H](NS(=O)(=O)c1c(Cl)cc(F)cc1Br)[C@H]1CCC[NH2+]C1 ZINC000497354045 564865756 /nfs/dbraw/zinc/86/57/56/564865756.db2.gz AEJAKSDAWKSSTH-IUCAKERBSA-N 1 0 399.713 2.908 20 0 GFADRO C[C@@H]1C[N@H+](C)C[C@H]1c1nc(Cc2cc(Br)c3c(c2)OCCO3)no1 ZINC000463051391 564867624 /nfs/dbraw/zinc/86/76/24/564867624.db2.gz DPKUZJHBOVELHP-ZYHUDNBSSA-N 1 0 394.269 2.859 20 0 GFADRO C[C@H]1C[N@H+](C)C[C@@H]1c1nc(-c2n[nH]c(-c3cccc(Br)c3)n2)no1 ZINC000463056730 564867684 /nfs/dbraw/zinc/86/76/84/564867684.db2.gz XDMBUAFGKYJDFC-CABZTGNLSA-N 1 0 389.257 2.949 20 0 GFADRO C[C@H]1C[N@H+](C)C[C@@H]1c1nc(CC(=O)Nc2ccccc2Br)no1 ZINC000463061330 564867738 /nfs/dbraw/zinc/86/77/38/564867738.db2.gz OGEFNOYDPGCABU-QWRGUYRKSA-N 1 0 379.258 2.678 20 0 GFADRO C[C@@H]1C[N@H+](C)C[C@@H]1c1nc(CC(=O)Nc2ccccc2Br)no1 ZINC000463061328 564868174 /nfs/dbraw/zinc/86/81/74/564868174.db2.gz OGEFNOYDPGCABU-MNOVXSKESA-N 1 0 379.258 2.678 20 0 GFADRO Brc1ccc2nc(CN3CC[NH+](C4CCOCC4)CC3)oc2c1 ZINC000463082467 564868687 /nfs/dbraw/zinc/86/86/87/564868687.db2.gz DJLQDOWNMYABFY-UHFFFAOYSA-N 1 0 380.286 2.887 20 0 GFADRO CS[C@@H]1CN(c2ncc(Br)c(OC(C)(C)C)n2)C[C@H]1[NH+](C)C ZINC000557643452 564870592 /nfs/dbraw/zinc/87/05/92/564870592.db2.gz YCLCXXPMIHFCSB-VXGBXAGGSA-N 1 0 389.363 2.898 20 0 GFADRO Cc1nc(NC(=O)[C@H]2Cc3ccccc3C[NH2+]2)ccc1I ZINC000463141182 564870786 /nfs/dbraw/zinc/87/07/86/564870786.db2.gz BVHWXMNAOKZRJN-CQSZACIVSA-N 1 0 393.228 2.648 20 0 GFADRO CC(C)[N@H+](C[C@@H](O)COc1cc(F)cc(Br)c1)[C@H]1CCOC1 ZINC000463229591 564872851 /nfs/dbraw/zinc/87/28/51/564872851.db2.gz LCSMIRPBDNZCJD-LSDHHAIUSA-N 1 0 376.266 2.827 20 0 GFADRO COc1ccc(Br)cc1CNC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000583013510 564872915 /nfs/dbraw/zinc/87/29/15/564872915.db2.gz VOZZJWBPVGKYRD-BETUJISGSA-N 1 0 382.302 2.599 20 0 GFADRO COc1cc(Br)c(CN2CCC(CO[C@@H]3CC[NH2+]C3)CC2)cc1O ZINC000530248123 564873062 /nfs/dbraw/zinc/87/30/62/564873062.db2.gz GNAGVFPLFHHOII-OAHLLOKOSA-N 1 0 399.329 2.754 20 0 GFADRO CC(C)[C@@H]1C[NH2+]CCN1Cc1nc(Cc2cccc(Br)c2)no1 ZINC000530230000 564873211 /nfs/dbraw/zinc/87/32/11/564873211.db2.gz WIPSBKVEFIOCQS-HNNXBMFYSA-N 1 0 379.302 2.853 20 0 GFADRO CS[C@H]1CN(CC(=O)Nc2ccc(OC(F)F)c(Cl)c2)C[C@@H]1[NH+](C)C ZINC000557724925 564874177 /nfs/dbraw/zinc/87/41/77/564874177.db2.gz ACVUSKYPWPPHAN-JSGCOSHPSA-N 1 0 393.887 2.857 20 0 GFADRO O=C(NCc1cc(Br)cc2c1OCC2)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000463265427 564874495 /nfs/dbraw/zinc/87/44/95/564874495.db2.gz XVTBPFMOQSHCDM-INIZCTEOSA-N 1 0 392.297 2.540 20 0 GFADRO Cc1nc(CN2C[C@@H](F)C[C@H]2C[NH2+]C2CCN(CC(F)F)CC2)cs1 ZINC000463263705 564874514 /nfs/dbraw/zinc/87/45/14/564874514.db2.gz DFAPQKBEXPKLEA-BBRMVZONSA-N 1 0 376.492 2.683 20 0 GFADRO COC(=O)[C@H](Sc1nnnn1CC[NH+](C)C)c1ccc(Cl)cc1Cl ZINC000463266469 564874519 /nfs/dbraw/zinc/87/45/19/564874519.db2.gz NRXBGZHYTAMXLG-GFCCVEGCSA-N 1 0 390.296 2.548 20 0 GFADRO C[C@H]([NH2+]C[C@@H](O)C(F)(F)F)c1ccc(Br)cc1OCCCO ZINC000463362982 564877405 /nfs/dbraw/zinc/87/74/05/564877405.db2.gz XTVCMNGVAFXRCI-TVQRCGJNSA-N 1 0 386.208 2.784 20 0 GFADRO CC[N@H+](C[C@@H](C)OC)[C@@H](C)C(=O)Nc1cccc(I)c1 ZINC000463425626 564880111 /nfs/dbraw/zinc/88/01/11/564880111.db2.gz VQZXGMQWACRUQU-NEPJUHHUSA-N 1 0 390.265 2.975 20 0 GFADRO Cn1cc(N2CCC[C@H]([N@H+](C)CCc3cccc(Br)c3)C2=O)cn1 ZINC000463413120 564880159 /nfs/dbraw/zinc/88/01/59/564880159.db2.gz JRQLLGRAOXDTPX-KRWDZBQOSA-N 1 0 391.313 2.853 20 0 GFADRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1S(=O)(=O)c1cccc(Br)c1F ZINC000557852327 564882059 /nfs/dbraw/zinc/88/20/59/564882059.db2.gz DYEJVSYIHQYQES-WCQYABFASA-N 1 0 391.306 2.836 20 0 GFADRO C[C@@H]([NH2+][C@@H]1CCn2ccnc2C1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000530465507 564882260 /nfs/dbraw/zinc/88/22/60/564882260.db2.gz UTWXWAXGRGDLCP-NXEZZACHSA-N 1 0 389.308 2.503 20 0 GFADRO C[C@H](NC(=O)c1ccnc(C[NH3+])c1)c1cc2c(cc1Br)OCCO2 ZINC000463470441 564882437 /nfs/dbraw/zinc/88/24/37/564882437.db2.gz QCZUWIXQMRKBHF-JTQLQIEISA-N 1 0 392.253 2.565 20 0 GFADRO COCCN(Cc1cc(Br)cs1)C(=O)[C@H]1CCc2cncn2C1 ZINC000583265116 564883282 /nfs/dbraw/zinc/88/32/82/564883282.db2.gz DZLYRQAFUYGHAP-LBPRGKRZSA-N 1 0 398.326 2.945 20 0 GFADRO C[C@H]1CC[N@H+](CC(=O)NCc2cnn(-c3ccc(Br)cc3)c2)C1 ZINC000583272098 564884804 /nfs/dbraw/zinc/88/48/04/564884804.db2.gz ABGGUPAXZUHARK-ZDUSSCGKSA-N 1 0 377.286 2.593 20 0 GFADRO C[C@H](C[NH+]1CCOCC1)C(=O)N1CC[C@H](Cc2ccc(Br)cc2)C1 ZINC000498013234 564885464 /nfs/dbraw/zinc/88/54/64/564885464.db2.gz NIBMSMXHJIYSGX-NVXWUHKLSA-N 1 0 395.341 2.808 20 0 GFADRO CCC[N@H+](CC)CCNC(=O)C(=O)N[C@@H](C)Cc1ccc(Cl)cc1Cl ZINC000557951144 564886569 /nfs/dbraw/zinc/88/65/69/564886569.db2.gz KYTIUVKIWCZGFJ-ZDUSSCGKSA-N 1 0 388.339 2.889 20 0 GFADRO O=S(=O)(CC[NH2+]CCCC1(O)CCC1)c1cccc(Br)c1 ZINC000583376923 564887902 /nfs/dbraw/zinc/88/79/02/564887902.db2.gz NDRUPVMJVWWQEC-UHFFFAOYSA-N 1 0 376.316 2.508 20 0 GFADRO O=S(=O)(c1c(F)cccc1Cl)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000463697941 564888253 /nfs/dbraw/zinc/88/82/53/564888253.db2.gz MIFULSHTCNLYRE-UHFFFAOYSA-N 1 0 390.908 2.602 20 0 GFADRO Cc1c(Br)ccnc1NC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000583370799 564888527 /nfs/dbraw/zinc/88/85/27/564888527.db2.gz QGQXPYILCJENSN-ZDUSSCGKSA-N 1 0 385.306 2.631 20 0 GFADRO C[NH2+]CCC1CCN(C(=O)[C@@](N)(c2cccc(Cl)c2)C(F)(F)F)CC1 ZINC000583380613 564888959 /nfs/dbraw/zinc/88/89/59/564888959.db2.gz TUHXUGFRFXFEDP-INIZCTEOSA-N 1 0 377.838 2.904 20 0 GFADRO [NH3+][C@@H]1CCC[C@H]2CN(Cc3nc(Cc4cccc(Br)c4)no3)C[C@@H]21 ZINC000583441299 564891442 /nfs/dbraw/zinc/89/14/42/564891442.db2.gz VRTFLWWISANQDP-CWRNSKLLSA-N 1 0 391.313 2.982 20 0 GFADRO [NH3+][C@H](CC(F)F)C(=O)NC1CCN(Cc2ccc(Br)cc2)CC1 ZINC000498200904 564891889 /nfs/dbraw/zinc/89/18/89/564891889.db2.gz LBMGUDYNUULMBL-CQSZACIVSA-N 1 0 390.272 2.512 20 0 GFADRO CN(C)S(=O)(=O)N1CCCC[C@@H]1C[NH2+]Cc1cnc(C2CCCC2)s1 ZINC000558129654 564892965 /nfs/dbraw/zinc/89/29/65/564892965.db2.gz UDKPCRKOZCIMHL-OAHLLOKOSA-N 1 0 386.587 2.551 20 0 GFADRO CN(CCCN1CC[NH+](C)CC1)C(=O)NCc1cc(Cl)sc1Cl ZINC000498273562 564893446 /nfs/dbraw/zinc/89/34/46/564893446.db2.gz CZVCWLRHPQAIMD-UHFFFAOYSA-N 1 0 379.357 2.834 20 0 GFADRO CC[N@@H+]1C[C@@H](C)N(C(=O)NCc2cn3cc(Br)ccc3n2)C[C@H]1C ZINC000498249522 564893671 /nfs/dbraw/zinc/89/36/71/564893671.db2.gz FDTFSEPKFULXNI-CHWSQXEVSA-N 1 0 394.317 2.721 20 0 GFADRO CC[N@@H+]1C[C@@H](C)N(C(=O)NCc2cn3cc(Br)ccc3n2)C[C@@H]1C ZINC000498249530 564893812 /nfs/dbraw/zinc/89/38/12/564893812.db2.gz FDTFSEPKFULXNI-QWHCGFSZSA-N 1 0 394.317 2.721 20 0 GFADRO C[C@H]1COCCN1CC[NH2+]Cc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000558180936 564895257 /nfs/dbraw/zinc/89/52/57/564895257.db2.gz DEXZJVTVMRMFSV-ZDUSSCGKSA-N 1 0 379.302 2.650 20 0 GFADRO CC[C@H]1CC[C@H]1[NH2+]CCNS(=O)(=O)c1cc(C)ccc1Br ZINC000558253743 564896244 /nfs/dbraw/zinc/89/62/44/564896244.db2.gz JHEBDMCTKNPYRH-GXTWGEPZSA-N 1 0 375.332 2.814 20 0 GFADRO CCOc1ccc(Cl)cc1[C@@H](C)[NH2+][C@@H]1CCCN(S(=O)(=O)N(C)C)C1 ZINC000558255290 564896423 /nfs/dbraw/zinc/89/64/23/564896423.db2.gz LEDHWCDNFLUGAO-UKRRQHHQSA-N 1 0 389.949 2.660 20 0 GFADRO C[C@@H]([NH2+][C@@H]1CCCN(S(=O)(=O)N(C)C)C1)c1ccccc1C(F)(F)F ZINC000558260296 564896897 /nfs/dbraw/zinc/89/68/97/564896897.db2.gz ZMOKKDQLUOHJNF-CHWSQXEVSA-N 1 0 379.448 2.627 20 0 GFADRO CC[C@H](NC(=O)C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21)c1ccc(Cl)s1 ZINC000558333074 564897974 /nfs/dbraw/zinc/89/79/74/564897974.db2.gz STSUXNAUROUACY-HZSPNIEDSA-N 1 0 383.945 2.912 20 0 GFADRO CSc1ccc(S(=O)(=O)NC[C@@]2([NH+](C)C)CCSC2)cc1Cl ZINC000464213380 564899426 /nfs/dbraw/zinc/89/94/26/564899426.db2.gz XTUGZBYRZUZXER-AWEZNQCLSA-N 1 0 380.988 2.778 20 0 GFADRO Brc1cccc(Cc2noc(CN3CCC[C@H]4C[NH2+]C[C@H]43)n2)c1 ZINC000583617016 564899728 /nfs/dbraw/zinc/89/97/28/564899728.db2.gz JJMJSSYWFCGPCC-DZGCQCFKSA-N 1 0 377.286 2.607 20 0 GFADRO CC[NH+](CC)CC1CCN(C(=O)CCn2cc(Br)ccc2=O)CC1 ZINC000498511890 564900403 /nfs/dbraw/zinc/90/04/03/564900403.db2.gz WCMGVNDTIPIGJL-UHFFFAOYSA-N 1 0 398.345 2.581 20 0 GFADRO CC[C@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1ccc(OCC(F)F)cc1 ZINC000583656792 564901791 /nfs/dbraw/zinc/90/17/91/564901791.db2.gz LPKVQRGPZSTBJI-AWEZNQCLSA-N 1 0 376.469 2.873 20 0 GFADRO CC[NH2+]CCCNC(=O)C(=O)N[C@@H](c1cccs1)c1ccc(Cl)cc1 ZINC000583683575 564902516 /nfs/dbraw/zinc/90/25/16/564902516.db2.gz PJJQNSBVTOKTCT-MRXNPFEDSA-N 1 0 379.913 2.723 20 0 GFADRO CC1=C[C@@H](C)C[C@H](C[NH2+]Cc2ccc(S(=O)(=O)N3CCOCC3)s2)C1 ZINC000558482739 564903545 /nfs/dbraw/zinc/90/35/45/564903545.db2.gz JYCFDFGDUJDFEV-ZBFHGGJFSA-N 1 0 384.567 2.851 20 0 GFADRO C[N@@H+]1CCC[C@H](CNC(=O)N[C@@H]2COc3cc(F)c(Br)cc32)C1 ZINC000558580448 564907230 /nfs/dbraw/zinc/90/72/30/564907230.db2.gz IOMJXNXZNBBAAG-QMTHXVAHSA-N 1 0 386.265 2.663 20 0 GFADRO Cc1cc(Br)ccc1NCC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000531387439 564909427 /nfs/dbraw/zinc/90/94/27/564909427.db2.gz UJUZBUBPGWNXRS-MRXNPFEDSA-N 1 0 398.345 2.642 20 0 GFADRO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CNC(=O)c1ccc(Cl)cc1Cl ZINC000531396526 564909815 /nfs/dbraw/zinc/90/98/15/564909815.db2.gz SNEOSGSSKXWWIT-KBPBESRZSA-N 1 0 384.307 2.808 20 0 GFADRO O=S(=O)(Cc1ccccc1Br)NCCC[NH+]1CCCCC1 ZINC000583863000 564910459 /nfs/dbraw/zinc/91/04/59/564910459.db2.gz DUANBQMENIPURP-UHFFFAOYSA-N 1 0 375.332 2.745 20 0 GFADRO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2cc(Br)cnc2N(C)C)C1 ZINC000464569165 564910624 /nfs/dbraw/zinc/91/06/24/564910624.db2.gz MRJIRZYFFHQRPI-CYBMUJFWSA-N 1 0 383.334 2.714 20 0 GFADRO C[C@H](NC(=O)C(C)(C)S(=O)(=O)c1ccc(Cl)cc1)C(C)(C)C[NH+](C)C ZINC000498872735 564911592 /nfs/dbraw/zinc/91/15/92/564911592.db2.gz JGGXSLWWNFCVNQ-ZDUSSCGKSA-N 1 0 388.961 2.985 20 0 GFADRO C[C@@H](C1CC[NH+](C)CC1)N(C)S(=O)(=O)c1ccc(Br)cc1 ZINC000498889533 564912201 /nfs/dbraw/zinc/91/22/01/564912201.db2.gz KVARHTDTEPFNFG-LBPRGKRZSA-N 1 0 375.332 2.800 20 0 GFADRO C[C@@H](C1CC[NH+](C)CC1)N(C)S(=O)(=O)c1ccccc1Br ZINC000498896978 564912608 /nfs/dbraw/zinc/91/26/08/564912608.db2.gz PLODQXVFNLZEGY-LBPRGKRZSA-N 1 0 375.332 2.800 20 0 GFADRO CC(C)([NH2+]C[C@H]1CCN(S(C)(=O)=O)C1)c1ccc(OC(F)(F)F)cc1 ZINC000558741475 564912963 /nfs/dbraw/zinc/91/29/63/564912963.db2.gz ICXADHBNFFZKHR-GFCCVEGCSA-N 1 0 380.432 2.691 20 0 GFADRO CC[N@@H+]1C[C@H](C)N(CC(=O)N(C)Cc2cc(Br)cs2)C[C@@H]1C ZINC000498913558 564913049 /nfs/dbraw/zinc/91/30/49/564913049.db2.gz ACTFSDULISSNNL-STQMWFEESA-N 1 0 388.375 2.884 20 0 GFADRO CC[NH+]1C[C@H](C)N(C(=O)c2cc(Br)cc(C(=O)OC)c2)[C@@H](C)C1 ZINC000464621838 564913460 /nfs/dbraw/zinc/91/34/60/564913460.db2.gz ULGINOFCQPMAOB-RYUDHWBXSA-N 1 0 383.286 2.790 20 0 GFADRO CS[C@H](CO)[C@H](C)[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000583934355 564913873 /nfs/dbraw/zinc/91/38/73/564913873.db2.gz CHVYLWACIVDMKI-DRCTWCGVSA-N 1 0 398.750 2.544 20 0 GFADRO C[N@@H+]1CCC[C@H](CNC(=O)N2CCOc3ccc(Br)cc3C2)C1 ZINC000558769905 564914053 /nfs/dbraw/zinc/91/40/53/564914053.db2.gz KNKXQJJJEOHLKR-CYBMUJFWSA-N 1 0 382.302 2.695 20 0 GFADRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C1=Cc2cc(Br)ccc2OC1 ZINC000531569694 564914373 /nfs/dbraw/zinc/91/43/73/564914373.db2.gz DHDVRHIYGYVXOS-MEDUHNTESA-N 1 0 377.282 2.824 20 0 GFADRO CO[C@@H]1CCN(C(=O)COc2cc(Cl)c(Cl)cc2Cl)[C@H](C[NH3+])C1 ZINC000583989015 564915293 /nfs/dbraw/zinc/91/52/93/564915293.db2.gz TZRTXKNUFIBXNW-VHSXEESVSA-N 1 0 381.687 2.990 20 0 GFADRO C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)Nc2cc(Cl)ccc2C(F)(F)F)C1 ZINC000499021081 564916122 /nfs/dbraw/zinc/91/61/22/564916122.db2.gz UKBPIQSMMNCPLL-LLVKDONJSA-N 1 0 377.794 2.850 20 0 GFADRO [NH3+]C[C@H]1CN(CC(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)CCCO1 ZINC000584043801 564917742 /nfs/dbraw/zinc/91/77/42/564917742.db2.gz QRWTZWMPQXGYSP-YOEHRIQHSA-N 1 0 386.323 2.707 20 0 GFADRO C[C@H]([NH2+]Cc1ccc(C(=O)NCC(N)=O)cc1)c1sccc1Br ZINC000531682077 564918008 /nfs/dbraw/zinc/91/80/08/564918008.db2.gz LTTZROQKZLYWIH-JTQLQIEISA-N 1 0 396.310 2.577 20 0 GFADRO O=C(NC[C@H]1CCN(c2cccc(Br)c2)C1)[C@H]1CCCCC[NH2+]1 ZINC000584055850 564919181 /nfs/dbraw/zinc/91/91/81/564919181.db2.gz SQVWJVQCAIYMON-RHSMWYFYSA-N 1 0 380.330 2.924 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)C[NH+]1C[C@H](C)[C@@H](C)C1 ZINC000464831381 564919601 /nfs/dbraw/zinc/91/96/01/564919601.db2.gz AKCYCSICPPXFIC-KBPBESRZSA-N 1 0 396.329 2.742 20 0 GFADRO C[NH+]1CCC(CCO)(NC(=O)[C@H]2C[C@H]2c2ccc(Br)cc2)CC1 ZINC000499123511 564919597 /nfs/dbraw/zinc/91/95/97/564919597.db2.gz RWLWSOHVHSNFQJ-HOTGVXAUSA-N 1 0 381.314 2.516 20 0 GFADRO C[NH+](C)C[C@H]1CCCN1C(=O)C1CCN(C(=O)c2ccc(Cl)s2)CC1 ZINC000464922495 564920616 /nfs/dbraw/zinc/92/06/16/564920616.db2.gz XCCZCLPYSCAEDI-CQSZACIVSA-N 1 0 383.945 2.806 20 0 GFADRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NCCOc1ccc(Br)cc1 ZINC000531803662 564920813 /nfs/dbraw/zinc/92/08/13/564920813.db2.gz PBULWVJPUQBGSD-LRDDRELGSA-N 1 0 382.302 2.610 20 0 GFADRO OCC1([NH2+]CC2CC2)CCN(Cc2cc3c(c(Br)c2)OCO3)CC1 ZINC000584117029 564921553 /nfs/dbraw/zinc/92/15/53/564921553.db2.gz RRRPSSKXTSRRLO-UHFFFAOYSA-N 1 0 397.313 2.504 20 0 GFADRO CCN(CC[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Br)C1CC1 ZINC000584167618 564923362 /nfs/dbraw/zinc/92/33/62/564923362.db2.gz AUBDJAYOTAUASV-CQSZACIVSA-N 1 0 391.737 2.916 20 0 GFADRO CCCCC[N@H+](CCO)CC(=O)N(C)Cc1cc(Br)cs1 ZINC000531905668 564923727 /nfs/dbraw/zinc/92/37/27/564923727.db2.gz OOXIQTNNVZXJDI-UHFFFAOYSA-N 1 0 377.348 2.954 20 0 GFADRO Cc1ccc(OC[C@@H](O)C[NH2+][C@H](CO)c2ccc(Br)c(F)c2)cc1 ZINC000559269617 564928400 /nfs/dbraw/zinc/92/84/00/564928400.db2.gz KEJYQLYGLNSTTC-KBXCAEBGSA-N 1 0 398.272 2.960 20 0 GFADRO Cc1ccc(OC[C@H](O)C[NH2+][C@@H](CO)c2ccc(Br)c(F)c2)cc1 ZINC000559269618 564928481 /nfs/dbraw/zinc/92/84/81/564928481.db2.gz KEJYQLYGLNSTTC-KDOFPFPSSA-N 1 0 398.272 2.960 20 0 GFADRO C[C@H]1CC[N@H+](CCNC(=O)c2c(F)cccc2I)C1 ZINC000532120864 564930126 /nfs/dbraw/zinc/93/01/26/564930126.db2.gz QUVAWBAPDUKJAS-JTQLQIEISA-N 1 0 376.213 2.502 20 0 GFADRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1ccc(-n2cc(Br)cn2)cc1 ZINC000532331814 564934877 /nfs/dbraw/zinc/93/48/77/564934877.db2.gz RCDINVIVNMQNIZ-SJKOYZFVSA-N 1 0 389.297 2.847 20 0 GFADRO CN1CCC[C@@H]([NH2+]Cc2ccc(Br)c(Br)c2)C1=O ZINC000532321821 564934956 /nfs/dbraw/zinc/93/49/56/564934956.db2.gz DUOYQGBPVNDCJR-GFCCVEGCSA-N 1 0 376.092 2.922 20 0 GFADRO COc1ccc(CNC(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)cc1Br ZINC000466260035 564936590 /nfs/dbraw/zinc/93/65/90/564936590.db2.gz XYYVYWXUUKCRLH-XHDPSFHLSA-N 1 0 382.302 2.740 20 0 GFADRO COCC[N@@H+]1CC[C@@H](NC(=O)N2Cc3cc(Br)ccc3C[C@@H]2C)C1 ZINC000499803885 564937060 /nfs/dbraw/zinc/93/70/60/564937060.db2.gz SVFMSYSGKCFTLO-SUMWQHHRSA-N 1 0 396.329 2.626 20 0 GFADRO CCc1cnc(CCNC(=O)N(C)Cc2nccn2CC(F)(F)F)s1 ZINC000466341956 564938266 /nfs/dbraw/zinc/93/82/66/564938266.db2.gz QKNNILDMMXEZFT-UHFFFAOYSA-N 1 0 375.420 2.848 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)C[N@@H+]1C[C@@H](C)C[C@@H]1C ZINC000532574202 564940566 /nfs/dbraw/zinc/94/05/66/564940566.db2.gz PYWLGPBNSACHDT-JSGCOSHPSA-N 1 0 396.329 2.885 20 0 GFADRO Cc1ccc(Br)c(C)c1C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000559795993 564940780 /nfs/dbraw/zinc/94/07/80/564940780.db2.gz MFSUADGQOGBGDV-ZDUSSCGKSA-N 1 0 382.346 2.679 20 0 GFADRO Cc1cc(C[NH2+][C@H]2CCCN(c3nccn(C)c3=O)C2)sc1Br ZINC000466476277 564941808 /nfs/dbraw/zinc/94/18/08/564941808.db2.gz YIOPZORZCIHNKZ-LBPRGKRZSA-N 1 0 397.342 2.671 20 0 GFADRO Cc1ncc(S(=O)(=O)NC2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)s1 ZINC000532853769 564947549 /nfs/dbraw/zinc/94/75/49/564947549.db2.gz AYGXWOBWZGEAAN-ZIAGYGMSSA-N 1 0 379.551 2.886 20 0 GFADRO Cc1c(Br)cc(CNC[C@](C)(O)C[NH+](C)C)cc1Br ZINC000560083125 564949332 /nfs/dbraw/zinc/94/93/32/564949332.db2.gz RGPRIJPUVLAYGU-AWEZNQCLSA-N 1 0 394.151 2.922 20 0 GFADRO C[C@H]1CN(C(=O)C(=O)Nc2ccccc2Br)CC[N@@H+](C2CCC2)C1 ZINC000560099008 564949394 /nfs/dbraw/zinc/94/93/94/564949394.db2.gz PLHKWLRBJJSLMH-CYBMUJFWSA-N 1 0 394.313 2.720 20 0 GFADRO C[NH+](C)C[C@@H]1CCCN1C(=O)c1cccc(F)c1I ZINC000533083765 564953283 /nfs/dbraw/zinc/95/32/83/564953283.db2.gz XKXCAEHEBBBWMG-JTQLQIEISA-N 1 0 376.213 2.597 20 0 GFADRO O=S1(=O)CCC(O)(C[NH2+][C@@H]2CCCSc3ccc(Cl)cc32)CC1 ZINC000560270029 564954863 /nfs/dbraw/zinc/95/48/63/564954863.db2.gz YXWDGBXEOQDBOQ-CQSZACIVSA-N 1 0 375.943 2.796 20 0 GFADRO C[N@H+](CCc1nccs1)Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000533118204 564955116 /nfs/dbraw/zinc/95/51/16/564955116.db2.gz AAZFWJNQBVONMT-UHFFFAOYSA-N 1 0 379.283 2.588 20 0 GFADRO O=S(=O)(Cc1ccc(Br)c(F)c1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000560271783 564955500 /nfs/dbraw/zinc/95/55/00/564955500.db2.gz JJGYCUUKXFRZFO-CYBMUJFWSA-N 1 0 391.306 2.588 20 0 GFADRO CS(=O)(=O)NC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(Br)c(Cl)c1 ZINC000500499809 564956349 /nfs/dbraw/zinc/95/63/49/564956349.db2.gz FOKHSOONKVHBIV-FZMZJTMJSA-N 1 0 395.750 2.910 20 0 GFADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)Nc1cc(Br)c(F)cc1F ZINC000467128874 564956910 /nfs/dbraw/zinc/95/69/10/564956910.db2.gz VSGNGXXJDOOVSP-VIFPVBQESA-N 1 0 392.244 2.512 20 0 GFADRO CC[C@H](Cc1ccccc1Br)C(=O)N1CCN(CC[NH+](C)C)CC1 ZINC000467172504 564957651 /nfs/dbraw/zinc/95/76/51/564957651.db2.gz YASVJBKKSXGHMA-MRXNPFEDSA-N 1 0 396.373 2.724 20 0 GFADRO O[C@@H](C[NH2+]CCc1ccc2c(c1)OCO2)COc1ccc(Br)cc1 ZINC000560393153 564959618 /nfs/dbraw/zinc/95/96/18/564959618.db2.gz MYJKOVVYSHDPJS-HNNXBMFYSA-N 1 0 394.265 2.750 20 0 GFADRO CO[C@@H]1C[N@H+](CC(=O)N(C)CCOc2ccc(Br)cc2)CC[C@@H]1C ZINC000467293346 564960317 /nfs/dbraw/zinc/96/03/17/564960317.db2.gz JTDPDVDACXORBI-WMLDXEAASA-N 1 0 399.329 2.643 20 0 GFADRO Brc1cc(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cnc1N1CCOCC1 ZINC000467442852 564963209 /nfs/dbraw/zinc/96/32/09/564963209.db2.gz IHUPNDUTWRVPQG-DZGCQCFKSA-N 1 0 381.318 2.719 20 0 GFADRO C[NH+](C)[C@]1(CNC(=O)N2CCO[C@H](c3cccc(Cl)c3)C2)CCSC1 ZINC000467470888 564964231 /nfs/dbraw/zinc/96/42/31/564964231.db2.gz ZYASRTAYQHLZSC-WMZOPIPTSA-N 1 0 383.945 2.860 20 0 GFADRO CC[C@H](C)[N@H+](C)CCNC(=O)c1cccc(F)c1I ZINC000533542504 564964977 /nfs/dbraw/zinc/96/49/77/564964977.db2.gz JEOBGGGZBRBWJS-JTQLQIEISA-N 1 0 378.229 2.890 20 0 GFADRO C[C@@H](C(=O)NC[C@H](C[NH+](C)C)c1ccc(Cl)cc1)N(C)CC(F)(F)F ZINC000560505954 564965602 /nfs/dbraw/zinc/96/56/02/564965602.db2.gz WUIMTTVCSRMYLK-GXTWGEPZSA-N 1 0 379.854 2.984 20 0 GFADRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000560488625 564965804 /nfs/dbraw/zinc/96/58/04/564965804.db2.gz KWADJECKZRJGIT-XJKSGUPXSA-N 1 0 391.313 2.516 20 0 GFADRO CC(=O)N[C@@H](CC(=O)NC1(C[NH+](C)C)CCC1)c1ccc(Br)cc1 ZINC000467723483 564970016 /nfs/dbraw/zinc/97/00/16/564970016.db2.gz DWWMMSDTLFXBQZ-INIZCTEOSA-N 1 0 396.329 2.617 20 0 GFADRO C[NH+](C)CC(C)(C)CNC(=O)c1cn(-c2ccc(Br)cc2)cn1 ZINC000533703608 564971154 /nfs/dbraw/zinc/97/11/54/564971154.db2.gz IPQHRRZFYPUVKD-UHFFFAOYSA-N 1 0 379.302 2.952 20 0 GFADRO CCCNC(=O)CN1CCC([NH2+][C@H](C)c2nc(C(F)(F)F)cs2)CC1 ZINC000467748929 564971339 /nfs/dbraw/zinc/97/13/39/564971339.db2.gz XWQMXBOBIGWKSN-LLVKDONJSA-N 1 0 378.464 2.803 20 0 GFADRO CC[NH+](CC)C[C@H](C)NC(=O)COc1ccc(I)cc1 ZINC000501249550 564974431 /nfs/dbraw/zinc/97/44/31/564974431.db2.gz RYBIAFITZVUBTK-LBPRGKRZSA-N 1 0 390.265 2.517 20 0 GFADRO COc1cc(NC(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)cc(OC)c1Br ZINC000560999264 564980942 /nfs/dbraw/zinc/98/09/42/564980942.db2.gz ZLAWDILYYVVRSB-QWHCGFSZSA-N 1 0 398.301 2.976 20 0 GFADRO C[N@@H+]1CCN(C(=O)[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C(C)(C)C1 ZINC000501645126 564984049 /nfs/dbraw/zinc/98/40/49/564984049.db2.gz GWWXIIJJFDTWMC-CYBMUJFWSA-N 1 0 384.307 2.899 20 0 GFADRO CCCN(Cc1ccccc1Br)C(=O)C(=O)NCCC[NH2+]C(C)C ZINC000561256488 564989181 /nfs/dbraw/zinc/98/91/81/564989181.db2.gz BEARAJUKRBLRHF-UHFFFAOYSA-N 1 0 398.345 2.692 20 0 GFADRO C[N@@H+]1CCC[C@H](CNC(=O)N[C@@H](CO)CC(F)(F)F)[C@H]1c1cccs1 ZINC000534578582 564992396 /nfs/dbraw/zinc/99/23/96/564992396.db2.gz JROQIHOFRKAONI-BZPMIXESSA-N 1 0 379.448 2.744 20 0 GFADRO CC[NH+](CC)CCNC(=O)c1cc(Cl)c(NC(=O)CSC)cc1OC ZINC000534735146 564995797 /nfs/dbraw/zinc/99/57/97/564995797.db2.gz COGBYVHTWGPTIV-UHFFFAOYSA-N 1 0 387.933 2.722 20 0 GFADRO C[C@@H]([NH2+]C[C@@H](O)CS(=O)(=O)c1cccs1)c1cnn(C2CCCC2)c1 ZINC000502385778 564997334 /nfs/dbraw/zinc/99/73/34/564997334.db2.gz FDMZURKMXCVANI-CZUORRHYSA-N 1 0 383.539 2.545 20 0 GFADRO C[N@H+](CC1CC1)C[C@@H]1CCN(S(=O)(=O)c2c(Cl)ccc(F)c2F)C1 ZINC000561513077 564997606 /nfs/dbraw/zinc/99/76/06/564997606.db2.gz YQMQYTJDBTUJHT-LBPRGKRZSA-N 1 0 378.872 2.971 20 0 GFADRO COc1ccc(-c2nc(C(=O)N3C[C@H](SC)[C@@H]([NH+](C)C)C3)cs2)cc1 ZINC000535000593 565002335 /nfs/dbraw/zinc/00/23/35/565002335.db2.gz NYKZPCNJHKKMMG-HOTGVXAUSA-N 1 0 377.535 2.936 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)CNC(=O)c1c(F)cccc1Cl)c1ccsc1 ZINC000502699239 565003489 /nfs/dbraw/zinc/00/34/89/565003489.db2.gz JTOUTUCHEBJNJM-CQSZACIVSA-N 1 0 383.876 2.690 20 0 GFADRO COC(=O)CC[N@H+](CCOc1ccccc1Br)C[C@H]1CCCO1 ZINC000535075171 565004703 /nfs/dbraw/zinc/00/47/03/565004703.db2.gz VITRXMXNAAORTE-CQSZACIVSA-N 1 0 386.286 2.872 20 0 GFADRO C[C@@H](Cn1cc(Br)cn1)[NH2+]CCc1ccc(OCC[NH+](C)C)cc1 ZINC000469136484 565006892 /nfs/dbraw/zinc/00/68/92/565006892.db2.gz IJCZFQPXCDUNRF-HNNXBMFYSA-N 1 0 395.345 2.807 20 0 GFADRO COc1ccc(Cl)cc1NC(=O)CC[N@@H+]1CCC[C@H](S(C)(=O)=O)CC1 ZINC000502849742 565006959 /nfs/dbraw/zinc/00/69/59/565006959.db2.gz ZCKIJFDFIUGOBC-AWEZNQCLSA-N 1 0 388.917 2.576 20 0 GFADRO CC(C)c1nccn1CCC(=O)N[C@H](C(N)=O)c1cccc(Br)c1 ZINC000469130905 565006997 /nfs/dbraw/zinc/00/69/97/565006997.db2.gz YDZUCVQFDJERSL-HNNXBMFYSA-N 1 0 393.285 2.502 20 0 GFADRO CC[NH+](CC)CCN(CC(C)C)C(=O)NCc1ccc(S(C)(=O)=O)s1 ZINC000469151744 565007765 /nfs/dbraw/zinc/00/77/65/565007765.db2.gz XVDVWJWZHVPOAU-UHFFFAOYSA-N 1 0 389.587 2.661 20 0 GFADRO CCC[C@H]([NH2+]C(C)C)C(=O)N1CCNC(=O)[C@@H]1c1cccc(Br)c1 ZINC000502884296 565008311 /nfs/dbraw/zinc/00/83/11/565008311.db2.gz YZDXEBOVERJIGD-HOTGVXAUSA-N 1 0 396.329 2.615 20 0 GFADRO O=C(NCCNc1cc[nH+]cc1)N[C@H]1C[C@@H]1c1cccc(Br)c1 ZINC000535263060 565008489 /nfs/dbraw/zinc/00/84/89/565008489.db2.gz SCWLPKHGYQFOLX-CVEARBPZSA-N 1 0 375.270 2.533 20 0 GFADRO CC[C@H](C(=O)N[C@H](CO)c1ccc(Br)c(F)c1)[NH+](CC)CC ZINC000561776900 565008927 /nfs/dbraw/zinc/00/89/27/565008927.db2.gz SOAHNLKLSDBVRS-HUUCEWRRSA-N 1 0 375.282 2.858 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)C2(c3ccc(I)cc3)CC2)CC[N@@H+]1C ZINC000503005129 565010875 /nfs/dbraw/zinc/01/08/75/565010875.db2.gz XXKCANMBNYLJCQ-DOMZBBRYSA-N 1 0 398.288 2.922 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+]C[C@@H](c2ccco2)N2CCCC2)cc1Cl ZINC000561891601 565012169 /nfs/dbraw/zinc/01/21/69/565012169.db2.gz IORITQXTDXAZKY-HNNXBMFYSA-N 1 0 383.901 2.507 20 0 GFADRO C[C@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccc(S(C)(=O)=O)s1 ZINC000469340620 565013943 /nfs/dbraw/zinc/01/39/43/565013943.db2.gz YKFYPQXLFLRJPC-YOEHRIQHSA-N 1 0 379.551 2.547 20 0 GFADRO Cc1ccc(Br)c(NC(=O)C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)c1 ZINC000535623081 565016789 /nfs/dbraw/zinc/01/67/89/565016789.db2.gz NJRCVCTXHSTXGI-AWEZNQCLSA-N 1 0 394.313 2.783 20 0 GFADRO CCC[N@H+](CC)C[C@@H](C)NS(=O)(=O)c1ccc(F)cc1Br ZINC000562064219 565017137 /nfs/dbraw/zinc/01/71/37/565017137.db2.gz JBLCNQRGXBIZKI-LLVKDONJSA-N 1 0 381.311 2.987 20 0 GFADRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)[C@@H]1CC(=O)Nc2ccc(Br)cc21 ZINC000469430610 565017222 /nfs/dbraw/zinc/01/72/22/565017222.db2.gz UCPKQLDKTOFQMF-SWLSCSKDSA-N 1 0 394.313 2.675 20 0 GFADRO CC(C)[N@H+](C)C[C@H](C)NC(=O)COc1cccc(I)c1 ZINC000562219772 565020437 /nfs/dbraw/zinc/02/04/37/565020437.db2.gz FXIGXLUZUVFPLM-LBPRGKRZSA-N 1 0 390.265 2.515 20 0 GFADRO Brc1cncc(Br)c1CN1CC[N@@H+]2CCC[C@H]2C1 ZINC000562205018 565020615 /nfs/dbraw/zinc/02/06/15/565020615.db2.gz FOLBSCGHXYFWML-JTQLQIEISA-N 1 0 375.108 2.887 20 0 GFADRO Cc1cccc(Br)c1C(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000562246796 565021826 /nfs/dbraw/zinc/02/18/26/565021826.db2.gz IMOWMWXCULGSSJ-WBVHZDCISA-N 1 0 394.357 2.856 20 0 GFADRO C[C@@H](NCc1cccc(N2CCOCC2)n1)c1ccc(Br)cn1 ZINC000562311422 565023392 /nfs/dbraw/zinc/02/33/92/565023392.db2.gz OKUZZRVAECDEBQ-CYBMUJFWSA-N 1 0 377.286 2.927 20 0 GFADRO C[C@@H](NCCS(=O)(=O)NCc1ccccc1)c1ccc(Br)cn1 ZINC000562309967 565023405 /nfs/dbraw/zinc/02/34/05/565023405.db2.gz GHYSNMYPOUANLO-CYBMUJFWSA-N 1 0 398.326 2.614 20 0 GFADRO Cc1cc(Br)cnc1N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000535912805 565024415 /nfs/dbraw/zinc/02/44/15/565024415.db2.gz DHWJUCGQLKEKAB-SJPCQFCGSA-N 1 0 379.346 2.900 20 0 GFADRO COc1ccc(C(=O)N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)c(Br)c1 ZINC000562349513 565025162 /nfs/dbraw/zinc/02/51/62/565025162.db2.gz VHSLLHSVSHUFAM-ZDUSSCGKSA-N 1 0 397.313 2.783 20 0 GFADRO CCC[C@H]([NH2+]C(C)C)C(=O)N1CCNC(=O)[C@@H]1c1ccccc1Br ZINC000503664655 565025665 /nfs/dbraw/zinc/02/56/65/565025665.db2.gz WDVXBKFVZSXWSF-HOTGVXAUSA-N 1 0 396.329 2.615 20 0 GFADRO Cc1ccc(C(=O)Nc2ccc(=O)n(CC[NH+](C)C)c2)c(Br)c1 ZINC000535982187 565026209 /nfs/dbraw/zinc/02/62/09/565026209.db2.gz OKUYKILIZJADGO-UHFFFAOYSA-N 1 0 378.270 2.733 20 0 GFADRO C[C@H](CNC(=O)N[C@H](C)c1ncc(Br)cn1)C[NH+]1CCCCC1 ZINC000562395939 565027540 /nfs/dbraw/zinc/02/75/40/565027540.db2.gz QNXHFPWZJIUKOI-CHWSQXEVSA-N 1 0 384.322 2.721 20 0 GFADRO COC(=O)C[C@@H](NC(=O)C[N@H+](C)[C@@H]1CCSC1)c1ccc(SC)cc1 ZINC000536075694 565028765 /nfs/dbraw/zinc/02/87/65/565028765.db2.gz XLCPVJNXQXZARC-GDBMZVCRSA-N 1 0 382.551 2.566 20 0 GFADRO C[C@@H](CO)[N@@H+]1CCCN(Cc2nnc(-c3ccc(Cl)cc3Cl)o2)CC1 ZINC000469848451 565029564 /nfs/dbraw/zinc/02/95/64/565029564.db2.gz JXCQHVIDYRBXAB-LBPRGKRZSA-N 1 0 385.295 2.932 20 0 GFADRO CC[NH+]1CCC(CNS(=O)(=O)c2cccc(C)c2Br)CC1 ZINC000562456664 565029797 /nfs/dbraw/zinc/02/97/97/565029797.db2.gz GDYVZQKDXDSBOX-UHFFFAOYSA-N 1 0 375.332 2.768 20 0 GFADRO CC[NH+](CC)[C@H](C)CNC(=O)Nc1ccc(S(C)(=O)=O)c(C(F)F)c1 ZINC000469906886 565031714 /nfs/dbraw/zinc/03/17/14/565031714.db2.gz LSXOBIRPJFCBBX-LLVKDONJSA-N 1 0 377.457 2.880 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)CCC[N@H+]1C[C@@H](C)O[C@@H](CO)C1 ZINC000470005287 565034755 /nfs/dbraw/zinc/03/47/55/565034755.db2.gz XEPOSZHCRVKCIB-GDBMZVCRSA-N 1 0 399.329 2.866 20 0 GFADRO C[C@@H](CO)[N@@H+]1CCCN(C(=O)c2ccc(Cl)c(Br)c2)CC1 ZINC000470060313 565036384 /nfs/dbraw/zinc/03/63/84/565036384.db2.gz YERRJJRMUDMSEF-NSHDSACASA-N 1 0 375.694 2.631 20 0 GFADRO C[C@@H]1C[N@H+](CCCNC(=O)COc2ccc(Cl)cc2Cl)CCCO1 ZINC000470082508 565037279 /nfs/dbraw/zinc/03/72/79/565037279.db2.gz QXCDAAVRAYULTE-CYBMUJFWSA-N 1 0 375.296 2.989 20 0 GFADRO Cc1ncsc1CC[NH2+]C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000562665672 565038558 /nfs/dbraw/zinc/03/85/58/565038558.db2.gz KUKROGULCFKRRA-UHFFFAOYSA-N 1 0 379.551 2.745 20 0 GFADRO COc1ccc2c(c1)OC[C@H]([NH2+][C@H](C(N)=O)c1cccc(Br)c1)C2 ZINC000504388164 565039031 /nfs/dbraw/zinc/03/90/31/565039031.db2.gz OOTHJAZLSMKSTP-PBHICJAKSA-N 1 0 391.265 2.577 20 0 GFADRO C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+][C@H]1CCC[C@H]1CNS(C)(=O)=O ZINC000504538889 565041455 /nfs/dbraw/zinc/04/14/55/565041455.db2.gz ATYWPALZORUPFS-INWMFGNUSA-N 1 0 378.460 2.944 20 0 GFADRO COC(=O)[C@]1(C)C[N@H+](Cc2cc(Br)c3c(c2)OCCO3)C[C@H]1C ZINC000504589256 565042086 /nfs/dbraw/zinc/04/20/86/565042086.db2.gz JERYPSAMYVBXDJ-PIGZYNQJSA-N 1 0 384.270 2.851 20 0 GFADRO C[C@@H](c1cccc(Br)c1)N1CC(=O)N(CCc2cn(C)cn2)C1=O ZINC000562830411 565044879 /nfs/dbraw/zinc/04/48/79/565044879.db2.gz DSNVUFYKNVIIDK-LBPRGKRZSA-N 1 0 391.269 2.751 20 0 GFADRO CC[NH+]1CCC(CCNC(=O)N[C@@H](CO)c2ccc(Br)cc2)CC1 ZINC000504819625 565045191 /nfs/dbraw/zinc/04/51/91/565045191.db2.gz OXACUEJJTWYDNA-KRWDZBQOSA-N 1 0 398.345 2.904 20 0 GFADRO CC1(C(=O)Nc2cc(Cl)c(NC(=O)c3cnccn3)c(Cl)c2)C[NH2+]C1 ZINC000562958160 565049356 /nfs/dbraw/zinc/04/93/56/565049356.db2.gz UDZVWTUHMIOGRQ-UHFFFAOYSA-N 1 0 380.235 2.584 20 0 GFADRO C[C@H](Cc1ccc(Br)cc1)NC(=O)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000562957540 565049402 /nfs/dbraw/zinc/04/94/02/565049402.db2.gz BJFQEXMPGKLRPJ-DYVFJYSZSA-N 1 0 391.313 2.931 20 0 GFADRO CC(=O)N1CCC(C[NH2+]C[C@@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000562985856 565050494 /nfs/dbraw/zinc/05/04/94/565050494.db2.gz SCXUYHQZGPJDEW-OAHLLOKOSA-N 1 0 375.296 2.581 20 0 GFADRO CC(C)[N@@H+]1CCC[C@H](NC(=O)CCNC(=O)c2ccc(Br)cc2)C1 ZINC000470678780 565052924 /nfs/dbraw/zinc/05/29/24/565052924.db2.gz RFCOKQREACNZMR-INIZCTEOSA-N 1 0 396.329 2.558 20 0 GFADRO O=C(COc1ccccc1Br)NCCC[NH2+]Cc1cccnc1 ZINC000563107084 565055914 /nfs/dbraw/zinc/05/59/14/565055914.db2.gz VQEQSSQQUDLDNG-UHFFFAOYSA-N 1 0 378.270 2.519 20 0 GFADRO CCC[C@H]1C[NH2+]CCN1C(=O)c1cc(=O)[nH]c2c(Br)cccc12 ZINC000563110496 565056036 /nfs/dbraw/zinc/05/60/36/565056036.db2.gz YDODWGRKXDGFOL-NSHDSACASA-N 1 0 378.270 2.917 20 0 GFADRO C[NH2+]C1CCN(S(=O)(=O)Cc2cc(Cl)ccc2Br)CC1 ZINC000563119498 565056363 /nfs/dbraw/zinc/05/63/63/565056363.db2.gz BMTWNMKBXCDRBQ-UHFFFAOYSA-N 1 0 381.723 2.616 20 0 GFADRO CCC[C@H]([NH2+][C@@H](C)C(=O)NC[C@H]1CCS(=O)(=O)C1)c1ccc(Cl)cc1 ZINC000537422717 565058256 /nfs/dbraw/zinc/05/82/56/565058256.db2.gz KWHOPAVVYVJGIO-VBQJREDUSA-N 1 0 386.945 2.710 20 0 GFADRO C[C@@H](CNc1cc(-n2cccn2)nc(N)[nH+]1)Oc1ccc(Br)cc1 ZINC000537878352 565064563 /nfs/dbraw/zinc/06/45/63/565064563.db2.gz JRISXKBTPFFHMR-NSHDSACASA-N 1 0 389.257 2.886 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)c1cc(=O)[nH]c2ccc(Br)cc21 ZINC000613661638 565077049 /nfs/dbraw/zinc/07/70/49/565077049.db2.gz ZDFKOMPJHHHZQI-HUUCEWRRSA-N 1 0 378.270 2.915 20 0 GFADRO C[C@H](C(=O)N(CCn1ccnc1)Cc1ccccc1Br)[NH+](C)C ZINC000635895303 565080794 /nfs/dbraw/zinc/08/07/94/565080794.db2.gz MVNLVTUUENHYJI-CQSZACIVSA-N 1 0 379.302 2.625 20 0 GFADRO O[C@@H]1CCC[C@@H]1[NH+]1CCN(Cc2c(F)ccc(Br)c2F)CC1 ZINC000684770610 565082262 /nfs/dbraw/zinc/08/22/62/565082262.db2.gz VUBDRMFCNXWHDR-LSDHHAIUSA-N 1 0 375.257 2.758 20 0 GFADRO O=S1(=O)CC[C@H]([NH2+][C@H]2CCc3nc[nH]c3C2)c2cc(Br)ccc21 ZINC000584499416 565084122 /nfs/dbraw/zinc/08/41/22/565084122.db2.gz KTKMSVQDFDFOAP-AAEUAGOBSA-N 1 0 396.310 2.538 20 0 GFADRO CC1(C)CCC[N@H+](CCNC(=O)c2cc(Br)cc3[nH]c(=O)[nH]c32)C1 ZINC000614053335 565092036 /nfs/dbraw/zinc/09/20/36/565092036.db2.gz WSKMRKRVAHAZOB-UHFFFAOYSA-N 1 0 395.301 2.883 20 0 GFADRO C[NH+](C)C[C@]1(O)CCCN(C(=O)Cc2c(Cl)cccc2Br)C1 ZINC000614070753 565093784 /nfs/dbraw/zinc/09/37/84/565093784.db2.gz LETMZCJWSMRODY-MRXNPFEDSA-N 1 0 389.721 2.560 20 0 GFADRO C[NH+](C)C[C@]1(O)CCCN(C(=O)C(C)(C)Oc2ccc(Br)cc2)C1 ZINC000614071613 565093970 /nfs/dbraw/zinc/09/39/70/565093970.db2.gz RTGJBYYQSGDIDU-GOSISDBHSA-N 1 0 399.329 2.522 20 0 GFADRO Cc1c2cc(C(=O)N3CCC[C@@](O)(C[NH+](C)C)C3)[nH]c2ccc1Br ZINC000614071395 565094428 /nfs/dbraw/zinc/09/44/28/565094428.db2.gz QPBYICCJVDZPRG-GOSISDBHSA-N 1 0 394.313 2.768 20 0 GFADRO Fc1cncc(Br)c1C[NH2+]CCN1CCN(c2ccccc2)CC1 ZINC000657301826 565096263 /nfs/dbraw/zinc/09/62/63/565096263.db2.gz NZFTVQSUQLOVQE-UHFFFAOYSA-N 1 0 393.304 2.895 20 0 GFADRO O=C(N[C@H]1CCN(c2cccc(Br)c2)C1)[C@H]1CCc2nc[nH]c2C1 ZINC000614134120 565098427 /nfs/dbraw/zinc/09/84/27/565098427.db2.gz SPMIUUCHZRCIRY-JSGCOSHPSA-N 1 0 389.297 2.672 20 0 GFADRO Cc1ncsc1-c1ccc(C[NH2+]C[C@H]2CCC[C@H]2NS(C)(=O)=O)cc1 ZINC000657394881 565099741 /nfs/dbraw/zinc/09/97/41/565099741.db2.gz POELRACIBUWZSG-IAGOWNOFSA-N 1 0 379.551 2.926 20 0 GFADRO Cc1ncsc1-c1ccc(C[NH2+]C[C@H]2CCC[C@@H]2NS(C)(=O)=O)cc1 ZINC000657394883 565100510 /nfs/dbraw/zinc/10/05/10/565100510.db2.gz POELRACIBUWZSG-SJORKVTESA-N 1 0 379.551 2.926 20 0 GFADRO CCS(=O)(=O)N1CCC(C[NH2+]Cc2cc(F)ccc2OC(F)F)CC1 ZINC000657435033 565101751 /nfs/dbraw/zinc/10/17/51/565101751.db2.gz KQXUAWOYGOLIOY-UHFFFAOYSA-N 1 0 380.432 2.578 20 0 GFADRO COc1ccc(C[C@@H](CO)C[NH2+]Cc2cc3n(n2)CCC3)cc1Br ZINC000657483881 565102843 /nfs/dbraw/zinc/10/28/43/565102843.db2.gz PUTDEJXXZHQKOE-CQSZACIVSA-N 1 0 394.313 2.541 20 0 GFADRO Cc1c(Br)cncc1C[NH2+][C@@H](C)C(=O)NCCc1ccccc1 ZINC000657485210 565103111 /nfs/dbraw/zinc/10/31/11/565103111.db2.gz YGFSUZRNLQZFPG-AWEZNQCLSA-N 1 0 376.298 2.990 20 0 GFADRO COCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](Cc2cscc2Br)C1 ZINC000685411357 565105220 /nfs/dbraw/zinc/10/52/20/565105220.db2.gz QNKRKBUUUMLMPL-VXGBXAGGSA-N 1 0 375.332 2.874 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@@H]1CNCc1cn(-c2ccccc2Br)nn1 ZINC000657526256 565105576 /nfs/dbraw/zinc/10/55/76/565105576.db2.gz FCBPXQDKBVGYJN-CQSZACIVSA-N 1 0 378.318 2.992 20 0 GFADRO Cc1c(F)c(Br)ccc1NC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000657527602 565105758 /nfs/dbraw/zinc/10/57/58/565105758.db2.gz VEJPOWFFILTEOZ-NEPJUHHUSA-N 1 0 398.276 2.578 20 0 GFADRO COc1ccc(CN2CCN([C@H]3CCC[N@H+](C)C3)CC2)c(Br)c1 ZINC000685417717 565106452 /nfs/dbraw/zinc/10/64/52/565106452.db2.gz WHFHFPIKEPVBKG-INIZCTEOSA-N 1 0 382.346 2.670 20 0 GFADRO CO[C@H](C[NH2+]Cc1nc(-c2ccc(Br)cc2)c[nH]1)[C@@H]1CCOC1 ZINC000657540954 565107102 /nfs/dbraw/zinc/10/71/02/565107102.db2.gz IQJWAVXHVUEHNR-CZUORRHYSA-N 1 0 380.286 2.980 20 0 GFADRO CC[NH+](CC)CC[C@H](CO)NC(=O)c1ccc(Br)c(F)c1C ZINC000614347824 565107667 /nfs/dbraw/zinc/10/76/67/565107667.db2.gz JWNZMAGUKXUMJI-GFCCVEGCSA-N 1 0 375.282 2.719 20 0 GFADRO COc1ccc(C[NH2+]CCNC(=O)c2ccc(Br)cn2)c(F)c1 ZINC000657563151 565108998 /nfs/dbraw/zinc/10/89/98/565108998.db2.gz GYRJYSAFYXWVFZ-UHFFFAOYSA-N 1 0 382.233 2.511 20 0 GFADRO CCC(F)(F)C(C)(C)CNC(=O)C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000636457905 565113034 /nfs/dbraw/zinc/11/30/34/565113034.db2.gz PBJOCTMFJOYOQC-LBPRGKRZSA-N 1 0 375.485 2.655 20 0 GFADRO Cc1c(F)c(Br)ccc1NC(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000657620147 565112998 /nfs/dbraw/zinc/11/29/98/565112998.db2.gz IYINHVQGBIGEHO-GFCCVEGCSA-N 1 0 398.276 2.532 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)[C@]12CCC(=O)N1c1cc(Cl)ccc1S2 ZINC000586764626 565114467 /nfs/dbraw/zinc/11/44/67/565114467.db2.gz SARPSKNZZYDZCS-KZULUSFZSA-N 1 0 377.897 2.622 20 0 GFADRO Ic1cnc(C[NH2+]CCN2Cc3ccccc3C2)s1 ZINC000586776489 565116198 /nfs/dbraw/zinc/11/61/98/565116198.db2.gz OMBQMNRBIAXCPM-UHFFFAOYSA-N 1 0 385.274 2.853 20 0 GFADRO CC(C)[N@H+](C)C[C@H](C)NC(=O)C(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000685760283 565121334 /nfs/dbraw/zinc/12/13/34/565121334.db2.gz WBWXVYUTJMKNNP-JTQLQIEISA-N 1 0 377.819 2.725 20 0 GFADRO CSc1ccc(Cl)c(NC(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c1 ZINC000657738265 565124452 /nfs/dbraw/zinc/12/44/52/565124452.db2.gz PBMNTOGOGKHPLQ-BLLLJJGKSA-N 1 0 381.929 2.943 20 0 GFADRO O=C(NC[C@H]1CCCC[NH2+]1)N1CCO[C@@H](c2cccc(Br)c2)C1 ZINC000636874405 565128996 /nfs/dbraw/zinc/12/89/96/565128996.db2.gz SIGPVRBHLWCMQM-HZPDHXFCSA-N 1 0 382.302 2.674 20 0 GFADRO C[N@@H+]1CC[C@H](C(=O)N(CCc2ccc(Cl)cc2)C[C@H](O)C(F)(F)F)C1 ZINC000685863512 565129125 /nfs/dbraw/zinc/12/91/25/565129125.db2.gz OIMRTZKAXJZMEB-ZFWWWQNUSA-N 1 0 378.822 2.586 20 0 GFADRO CC[C@@H](Cc1ccc(Br)cc1)[NH2+]C1CCN(CC(=O)NC)CC1 ZINC000657834024 565132340 /nfs/dbraw/zinc/13/23/40/565132340.db2.gz IHGFUYXSKJUPIU-INIZCTEOSA-N 1 0 382.346 2.570 20 0 GFADRO C[C@@H]([NH2+]Cc1ccc(S(=O)(=O)N2CCOCC2)s1)C(C)(C)C(F)F ZINC000657836142 565132892 /nfs/dbraw/zinc/13/28/92/565132892.db2.gz SALAVMDUNLYVSQ-LLVKDONJSA-N 1 0 382.498 2.538 20 0 GFADRO CNS(=O)(=O)Cc1ccc(C[NH2+][C@H](C)c2cncc(Br)c2)cc1 ZINC000657845555 565133723 /nfs/dbraw/zinc/13/37/23/565133723.db2.gz RSOYNNGSSJGJMH-GFCCVEGCSA-N 1 0 398.326 2.744 20 0 GFADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)Nc1cccc(Br)c1F ZINC000657866595 565134548 /nfs/dbraw/zinc/13/45/48/565134548.db2.gz DFNSPKFIMSWKGN-NEPJUHHUSA-N 1 0 398.276 2.612 20 0 GFADRO C[C@@H]([NH2+][C@@H]1CCN(c2ccccc2C(N)=O)C1)c1cncc(Br)c1 ZINC000657880304 565135061 /nfs/dbraw/zinc/13/50/61/565135061.db2.gz WATLBCKFIPLVGE-IUODEOHRSA-N 1 0 389.297 2.873 20 0 GFADRO CSc1ccc(Cl)c(NC(=O)C(=O)NCC2CC[NH+](C3CC3)CC2)c1 ZINC000657907248 565135835 /nfs/dbraw/zinc/13/58/35/565135835.db2.gz HKWTZTSMDWKXJK-UHFFFAOYSA-N 1 0 381.929 2.991 20 0 GFADRO CC[C@H](C)[NH2+][C@@H](CNC(=O)NCc1c(Br)cnn1C)c1ccco1 ZINC000637139801 565141372 /nfs/dbraw/zinc/14/13/72/565141372.db2.gz OOUFACLEPMEPIL-AAEUAGOBSA-N 1 0 398.305 2.704 20 0 GFADRO CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CC[C@@H](Oc2cncc(Br)c2)C1 ZINC000615126174 565146504 /nfs/dbraw/zinc/14/65/04/565146504.db2.gz HOTLUGFMOKBRME-GXTWGEPZSA-N 1 0 384.318 2.991 20 0 GFADRO CN(C(=O)NC[C@@H]1CCC[NH2+]C1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000637239918 565147015 /nfs/dbraw/zinc/14/70/15/565147015.db2.gz FPKZJUXWEPFTNE-IUODEOHRSA-N 1 0 382.302 2.914 20 0 GFADRO CC[C@H](Cc1ccc(Br)cc1)[NH2+]CCCCn1cc(C(N)=O)nn1 ZINC000658037984 565147096 /nfs/dbraw/zinc/14/70/96/565147096.db2.gz MTOGZAMFLAMQCP-OAHLLOKOSA-N 1 0 394.317 2.531 20 0 GFADRO COC[C@@H](CC1CCOCC1)[NH2+]CCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000658022730 565147235 /nfs/dbraw/zinc/14/72/35/565147235.db2.gz DACUESFKQHWYSS-QGZVFWFLSA-N 1 0 389.945 2.925 20 0 GFADRO CC(C)[C@H]([NH2+][C@H]1CCN(S(C)(=O)=O)C1)c1cc(F)cc(Br)c1 ZINC000658048209 565148058 /nfs/dbraw/zinc/14/80/58/565148058.db2.gz WNNMXDYPYHXRCB-GJZGRUSLSA-N 1 0 393.322 2.909 20 0 GFADRO C[C@@H](CCCc1cccnc1)[NH2+]CCNC(=O)c1ccc(Br)cn1 ZINC000658097588 565150373 /nfs/dbraw/zinc/15/03/73/565150373.db2.gz XUSQGFLMFCDPKX-AWEZNQCLSA-N 1 0 391.313 2.970 20 0 GFADRO Cc1cccc(NC(=O)C(=O)NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)c1Br ZINC000658119663 565150434 /nfs/dbraw/zinc/15/04/34/565150434.db2.gz DCFMVKFVRHGZSP-ZDUSSCGKSA-N 1 0 396.329 2.933 20 0 GFADRO Cc1c(Br)ccnc1NC(=O)c1ccnc(OCC[NH+](C)C)c1 ZINC000637361195 565152443 /nfs/dbraw/zinc/15/24/43/565152443.db2.gz ONKQJHMXLORBEE-UHFFFAOYSA-N 1 0 379.258 2.740 20 0 GFADRO C[N@@H+]1CCC[C@H]1[C@H]1COCCN1C(=O)c1cc(F)c(F)cc1Br ZINC000615271884 565154151 /nfs/dbraw/zinc/15/41/51/565154151.db2.gz ZGCDDKFVHMTTAI-LSDHHAIUSA-N 1 0 389.240 2.663 20 0 GFADRO COc1ncc(Br)cc1CNC(=O)N1CC[C@H]([NH+]2CCCC2)[C@@H]1C ZINC000637406442 565154387 /nfs/dbraw/zinc/15/43/87/565154387.db2.gz ZERBPBRLGLTAFU-WFASDCNBSA-N 1 0 397.317 2.621 20 0 GFADRO O=S1(=O)CCC[C@@H]([NH2+][C@H]2CSCc3ccc(Br)cc32)C1 ZINC000658186858 565154718 /nfs/dbraw/zinc/15/47/18/565154718.db2.gz CULYPVGZUQCVFT-OCCSQVGLSA-N 1 0 376.341 2.904 20 0 GFADRO Cc1ccc(NC(=O)C(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)c(Br)c1 ZINC000658262328 565157603 /nfs/dbraw/zinc/15/76/03/565157603.db2.gz SGKDEURAEVPROU-LBPRGKRZSA-N 1 0 382.302 2.685 20 0 GFADRO CCN(C(=O)C(=O)Nc1ccc(Cl)cc1C(F)(F)F)[C@@H]1CC[N@H+](C)C1 ZINC000658356350 565160565 /nfs/dbraw/zinc/16/05/65/565160565.db2.gz KNFXBVDYIKYIOB-LLVKDONJSA-N 1 0 377.794 2.850 20 0 GFADRO C[C@@H]([NH3+])C1CCN(S(=O)(=O)c2cc(Cl)cc(Br)c2)CC1 ZINC000658365127 565161146 /nfs/dbraw/zinc/16/11/46/565161146.db2.gz IPORIGLDFFMKJI-SECBINFHSA-N 1 0 381.723 2.850 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H]2CN(S(=O)(=O)c3cc(Cl)cc(Br)c3)C[C@H]21 ZINC000658376157 565163941 /nfs/dbraw/zinc/16/39/41/565163941.db2.gz QQLACBAQWSIMER-OWYVNGRQSA-N 1 0 393.734 2.850 20 0 GFADRO Cc1cc(C(=O)N2CC(C[NH+](C)C)C2)nn1-c1ccc(Br)cc1 ZINC000615509753 565164297 /nfs/dbraw/zinc/16/42/97/565164297.db2.gz ROJMKXNIVMWXTO-UHFFFAOYSA-N 1 0 377.286 2.577 20 0 GFADRO O=S(=O)(N[C@@H]1CC12CC[NH2+]CC2)c1cc(Cl)cc(Br)c1 ZINC000658379932 565164704 /nfs/dbraw/zinc/16/47/04/565164704.db2.gz AXPNQSJEKVHWBE-GFCCVEGCSA-N 1 0 379.707 2.523 20 0 GFADRO C[C@@H](NS(=O)(=O)c1cc(Cl)c(Cl)cc1Br)[C@H](C)[NH3+] ZINC000658380202 565164907 /nfs/dbraw/zinc/16/49/07/565164907.db2.gz IUQHGPHTXHBKHO-NTSWFWBYSA-N 1 0 376.103 2.770 20 0 GFADRO O=S(=O)(c1cc(Cl)ccc1OC(F)(F)F)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000658380630 565165011 /nfs/dbraw/zinc/16/50/11/565165011.db2.gz WCSQMOSBDBKKEA-PHIMTYICSA-N 1 0 398.834 2.859 20 0 GFADRO O=C(N[C@H]1[C@@H]2Cc3cc(Br)ccc3[C@@H]21)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000637650527 565166690 /nfs/dbraw/zinc/16/66/90/565166690.db2.gz MWXHVLDAVLXOBS-BGTYHANMSA-N 1 0 388.309 2.743 20 0 GFADRO O=S(=O)(NCC12CC(C1)C[NH2+]2)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000658405158 565168287 /nfs/dbraw/zinc/16/82/87/565168287.db2.gz GWDGYEUXJFYIFY-UHFFFAOYSA-N 1 0 388.333 2.755 20 0 GFADRO CN(Cc1c(Cl)cccc1Cl)C(=O)C(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C ZINC000658475712 565172519 /nfs/dbraw/zinc/17/25/19/565172519.db2.gz BXJRTTLICGNJSD-GFCCVEGCSA-N 1 0 386.323 2.941 20 0 GFADRO CCN(C(=O)C(=O)N(C)Cc1ccc(Cl)c(Cl)c1)[C@H]1CC[N@H+](CC)C1 ZINC000658830802 565189471 /nfs/dbraw/zinc/18/94/71/565189471.db2.gz VFBGZRCXQOSIGL-AWEZNQCLSA-N 1 0 386.323 2.895 20 0 GFADRO COc1ccc(Br)c(CNC(=O)N2CCC(C[NH+](C)C)CC2)c1 ZINC000616140185 565191106 /nfs/dbraw/zinc/19/11/06/565191106.db2.gz RLFICDXWZGNQEC-UHFFFAOYSA-N 1 0 384.318 2.941 20 0 GFADRO CC(C)CC[C@@H]([NH3+])C(=O)NCc1nc(-c2cccc(Br)c2)no1 ZINC000638323554 565192176 /nfs/dbraw/zinc/19/21/76/565192176.db2.gz KDGNOHBOEDQRTJ-CYBMUJFWSA-N 1 0 381.274 2.879 20 0 GFADRO O=C(c1cc(Br)c2nccn2c1)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000638329846 565192589 /nfs/dbraw/zinc/19/25/89/565192589.db2.gz PTHDVKXXHVHTGH-DOMZBBRYSA-N 1 0 377.286 2.701 20 0 GFADRO C[C@@H](Cc1ccc(Br)cc1)[NH2+]Cc1ccc(S(N)(=O)=O)s1 ZINC000638371029 565193644 /nfs/dbraw/zinc/19/36/44/565193644.db2.gz OMJWVOXSVSGDOE-JTQLQIEISA-N 1 0 389.340 2.879 20 0 GFADRO CN1CC[NH+](CCCC[NH2+]Cc2nc3cc(Br)ccc3o2)CC1 ZINC000638360093 565194175 /nfs/dbraw/zinc/19/41/75/565194175.db2.gz OFBUCLVQSOKPDG-UHFFFAOYSA-N 1 0 381.318 2.708 20 0 GFADRO O=C(NCc1cc(Cl)cc(Cl)c1)c1nnn([C@@H]2CC[NH2+]C2)c1C(F)F ZINC000638404041 565195690 /nfs/dbraw/zinc/19/56/90/565195690.db2.gz XXQWSCWXTXFULW-LLVKDONJSA-N 1 0 390.221 2.987 20 0 GFADRO [NH3+][C@@H]1CN(C(=O)c2cncc(Br)c2)CC[C@@H]1c1cccc(F)c1 ZINC000658945429 565196250 /nfs/dbraw/zinc/19/62/50/565196250.db2.gz DCKYECLODIAPEU-HZPDHXFCSA-N 1 0 378.245 2.940 20 0 GFADRO CO[C@@H](C[NH2+]C[C@@H](O)COc1cccc(Cl)c1Cl)C1CCOCC1 ZINC000638424949 565196364 /nfs/dbraw/zinc/19/63/64/565196364.db2.gz CWBMCQKDAQGTCR-CJNGLKHVSA-N 1 0 378.296 2.764 20 0 GFADRO O=C(c1cscc1Cl)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000638440606 565196809 /nfs/dbraw/zinc/19/68/09/565196809.db2.gz OKCQEOVHQJFMAU-GFCCVEGCSA-N 1 0 379.917 2.554 20 0 GFADRO CO[C@@H](C[NH2+]C[C@H](O)COc1cccc(Cl)c1Cl)C1CCOCC1 ZINC000638424937 565196931 /nfs/dbraw/zinc/19/69/31/565196931.db2.gz CWBMCQKDAQGTCR-BBRMVZONSA-N 1 0 378.296 2.764 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+]C[C@H]2CCCCN2Cc2ccccc2)s1 ZINC000638448496 565196981 /nfs/dbraw/zinc/19/69/81/565196981.db2.gz DJWKCDQDULFBQZ-MRXNPFEDSA-N 1 0 379.551 2.540 20 0 GFADRO O=C(COC1CC[NH2+]CC1)N1CC[C@H](Sc2ccc(Br)cc2)C1 ZINC000638474198 565198347 /nfs/dbraw/zinc/19/83/47/565198347.db2.gz QTQGSJQSOQNGHY-INIZCTEOSA-N 1 0 399.354 2.911 20 0 GFADRO O=C(NCC1CC[NH+](CC2CC2)CC1)C(=O)Nc1cccc(Br)c1 ZINC000658992931 565198421 /nfs/dbraw/zinc/19/84/21/565198421.db2.gz PCFCDGIYHKRHHA-UHFFFAOYSA-N 1 0 394.313 2.626 20 0 GFADRO Cc1cccc(CN(CC[NH+](C)C)C(=O)CCn2cc(Br)cn2)c1 ZINC000590738504 565198513 /nfs/dbraw/zinc/19/85/13/565198513.db2.gz CWQSOHSWYQJQRG-UHFFFAOYSA-N 1 0 393.329 2.935 20 0 GFADRO Cc1cc(Br)c(Cl)cc1NC(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000659034280 565199457 /nfs/dbraw/zinc/19/94/57/565199457.db2.gz YLPMONSSOSHJOH-JTQLQIEISA-N 1 0 376.682 2.992 20 0 GFADRO [NH3+]CC[C@@H](NC(=O)N1CCc2sc(Br)cc2C1)C(F)(F)F ZINC000659023765 565199775 /nfs/dbraw/zinc/19/97/75/565199775.db2.gz NXHKKSDTWICUKN-SECBINFHSA-N 1 0 386.237 2.858 20 0 GFADRO COc1cc(NC(=O)NC[C@H]2C[NH2+]CCCO2)c(Cl)cc1Br ZINC000659047129 565199781 /nfs/dbraw/zinc/19/97/81/565199781.db2.gz DNQSVGZFLRMDOK-SECBINFHSA-N 1 0 392.681 2.611 20 0 GFADRO CCN(CC[NH3+])C(=O)c1ccc(OCc2cc(C)on2)c(Br)c1 ZINC000638520173 565200242 /nfs/dbraw/zinc/20/02/42/565200242.db2.gz OLGUGBCMRBGAHG-UHFFFAOYSA-N 1 0 382.258 2.745 20 0 GFADRO CCN(CC[NH3+])C(=O)Cc1ccc(NC(=O)c2ccc(Br)o2)cc1 ZINC000638521032 565200294 /nfs/dbraw/zinc/20/02/94/565200294.db2.gz UMJLQYSFDSIKHF-UHFFFAOYSA-N 1 0 394.269 2.644 20 0 GFADRO Cc1cc(Br)c(Cl)cc1NC(=O)C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000659084164 565200703 /nfs/dbraw/zinc/20/07/03/565200703.db2.gz ANWBRWJGWQAVPO-HNNXBMFYSA-N 1 0 388.693 2.547 20 0 GFADRO CCN(CC)S(=O)(=O)c1ccc(CC[NH2+]Cc2ccc(CO)cc2)s1 ZINC000638531665 565200754 /nfs/dbraw/zinc/20/07/54/565200754.db2.gz DYAYUUBOPAOVGY-UHFFFAOYSA-N 1 0 382.551 2.603 20 0 GFADRO Cc1cc(Br)c(Cl)cc1NC(=O)C(=O)N[C@@H](C)CCC[NH3+] ZINC000659087892 565201490 /nfs/dbraw/zinc/20/14/90/565201490.db2.gz WUAFAAYOOLBKHW-VIFPVBQESA-N 1 0 376.682 2.593 20 0 GFADRO CC(C)Oc1ccc(Br)cc1NC(=O)C(=O)NCC1([NH3+])CCCC1 ZINC000659098285 565201577 /nfs/dbraw/zinc/20/15/77/565201577.db2.gz KLHYXYLWKURRKE-UHFFFAOYSA-N 1 0 398.301 2.563 20 0 GFADRO C[C@@H](CNCc1nc2cc(Br)ccc2o1)C[NH+]1CCN(C)CC1 ZINC000638553154 565201828 /nfs/dbraw/zinc/20/18/28/565201828.db2.gz RGYPCBIBJDLTFH-ZDUSSCGKSA-N 1 0 381.318 2.563 20 0 GFADRO COCCSc1ccc([C@H](C)[NH2+]Cc2ccc(S(N)(=O)=O)cc2)cc1 ZINC000638539031 565201862 /nfs/dbraw/zinc/20/18/62/565201862.db2.gz YJODEERNVKCMIX-AWEZNQCLSA-N 1 0 380.535 2.923 20 0 GFADRO CCc1nncn1CC[NH2+][C@@H](C)c1ccc(F)c(I)c1 ZINC000590777913 565202833 /nfs/dbraw/zinc/20/28/33/565202833.db2.gz FJEKCCXEVPSOBK-JTQLQIEISA-N 1 0 388.228 2.935 20 0 GFADRO C[NH2+][C@H]1CCN(C(=O)Cc2ccc(Br)c(Br)c2)C1 ZINC000659300914 565211859 /nfs/dbraw/zinc/21/18/59/565211859.db2.gz SMYIEPXCOHCPEV-JTQLQIEISA-N 1 0 376.092 2.574 20 0 GFADRO COCC[C@](C)(O)C[NH2+][C@@H]1CCN(C)[C@@H](c2ccc(Br)cc2)C1 ZINC000638612030 565205856 /nfs/dbraw/zinc/20/58/56/565205856.db2.gz RVINRXRPOSCWTH-KURKYZTESA-N 1 0 385.346 2.962 20 0 GFADRO O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1cc(Br)cc2[nH]c(=O)[nH]c21 ZINC000616715847 565206919 /nfs/dbraw/zinc/20/69/19/565206919.db2.gz SAJGEYOLLMHUDS-OCCSQVGLSA-N 1 0 393.285 2.778 20 0 GFADRO CN1C[C@H]([NH2+][C@H]2CCN(C)[C@@H](c3ccc(Br)cc3)C2)CCC1=O ZINC000638667677 565207248 /nfs/dbraw/zinc/20/72/48/565207248.db2.gz ZATNLQXQRICYEG-GVDBMIGSSA-N 1 0 380.330 2.795 20 0 GFADRO C[C@H](Cc1ccccc1Br)[NH2+]Cc1ccc(S(N)(=O)=O)s1 ZINC000638760860 565209172 /nfs/dbraw/zinc/20/91/72/565209172.db2.gz WIJFCRXXABDROU-SNVBAGLBSA-N 1 0 389.340 2.879 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)C1([NH3+])CC2(CCC2)C1 ZINC000659268987 565210221 /nfs/dbraw/zinc/21/02/21/565210221.db2.gz GIFINIQJAVVVRZ-UHFFFAOYSA-N 1 0 394.313 2.816 20 0 GFADRO CC(C)[NH2+]CC(=O)N1CCC(C(=O)Nc2ccccc2Br)CC1 ZINC000659283201 565210683 /nfs/dbraw/zinc/21/06/83/565210683.db2.gz DDBGTWQWSOSKOF-UHFFFAOYSA-N 1 0 382.302 2.624 20 0 GFADRO O=C(c1ccc(Br)cc1F)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000638779402 565210818 /nfs/dbraw/zinc/21/08/18/565210818.db2.gz RWPICONLGFEERJ-CQSZACIVSA-N 1 0 385.277 2.819 20 0 GFADRO O=C(c1ccc(Br)c(F)c1)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000638779883 565210882 /nfs/dbraw/zinc/21/08/82/565210882.db2.gz WORLBQQJAOGIAL-AWEZNQCLSA-N 1 0 385.277 2.819 20 0 GFADRO CN1CC[C@H]([NH2+]Cc2ccc(S(N)(=O)=O)s2)[C@@H]1c1ccc(Cl)cc1 ZINC000638803056 565211651 /nfs/dbraw/zinc/21/16/51/565211651.db2.gz ZOFPETRPELPIJQ-HOCLYGCPSA-N 1 0 385.942 2.584 20 0 GFADRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2sc3c(c2Br)CNC3)C1 ZINC000659313021 565211689 /nfs/dbraw/zinc/21/16/89/565211689.db2.gz BZXWFSWXYLIBRQ-ZYHUDNBSSA-N 1 0 384.343 2.670 20 0 GFADRO CC(C)OC[C@H]([NH3+])C(=O)NCc1ccc(Br)cc1C(F)(F)F ZINC000659319365 565213079 /nfs/dbraw/zinc/21/30/79/565213079.db2.gz RGYIHRWLVMMKCZ-LBPRGKRZSA-N 1 0 383.208 2.836 20 0 GFADRO [NH3+]Cc1ccc(CNC(=O)c2sc3c(c2Br)CNC3)c(F)c1 ZINC000659329900 565213472 /nfs/dbraw/zinc/21/34/72/565213472.db2.gz YZBCUVYHDDDTGU-UHFFFAOYSA-N 1 0 384.274 2.642 20 0 GFADRO O=C(c1cc(Br)cc2c1OCCO2)N1CCC2(CC[NH2+]CC2)CC1 ZINC000659322598 565213545 /nfs/dbraw/zinc/21/35/45/565213545.db2.gz PNUHXLCROOMBGT-UHFFFAOYSA-N 1 0 395.297 2.826 20 0 GFADRO C[C@@]1(C(=O)N2CC3(CCOCC3)c3ccc(Br)cc32)CCC[NH2+]1 ZINC000638842467 565214625 /nfs/dbraw/zinc/21/46/25/565214625.db2.gz RXGGWCBOQZFWMI-KRWDZBQOSA-N 1 0 379.298 2.986 20 0 GFADRO C[C@H](NC(=O)NCc1nc(C[NH3+])cc(=O)[nH]1)c1cc(F)c(Cl)cc1Cl ZINC000659426666 565217037 /nfs/dbraw/zinc/21/70/37/565217037.db2.gz ACPDVDDYNHARIL-ZETCQYMHSA-N 1 0 388.230 2.647 20 0 GFADRO [NH3+][C@@H]1CN(C(=O)NCCc2cc(Cl)ccc2Br)CC[C@H]1F ZINC000659471647 565217512 /nfs/dbraw/zinc/21/75/12/565217512.db2.gz UZLRUAZLTMMWEX-CHWSQXEVSA-N 1 0 378.673 2.726 20 0 GFADRO COc1cc(Br)ccc1CCCNC(=O)N1CC2CC1(C[NH3+])C2 ZINC000659480999 565217772 /nfs/dbraw/zinc/21/77/72/565217772.db2.gz JNSFEPUOFKDPAJ-UHFFFAOYSA-N 1 0 382.302 2.523 20 0 GFADRO [NH3+]C1(CNC(=O)N[C@@H]2CCN(c3cccc(Br)c3)C2)CCCC1 ZINC000659486785 565217793 /nfs/dbraw/zinc/21/77/93/565217793.db2.gz QVZVMVWESMCKLD-CQSZACIVSA-N 1 0 381.318 2.599 20 0 GFADRO CO[C@H](c1ccccc1Cl)[C@H](C)[NH2+]Cc1ccc(S(N)(=O)=O)cc1F ZINC000638912067 565217858 /nfs/dbraw/zinc/21/78/58/565217858.db2.gz HPBSWXVEHAEVBJ-GTNSWQLSSA-N 1 0 386.876 2.992 20 0 GFADRO C[C@@H]1C[C@H]([NH3+])CN1C(=O)c1cccc(NC(=O)c2ccc(Br)o2)c1 ZINC000638938847 565218177 /nfs/dbraw/zinc/21/81/77/565218177.db2.gz KWZGWKJTCAYPDV-PWSUYJOCSA-N 1 0 392.253 2.856 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)CNC(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000616988964 565218384 /nfs/dbraw/zinc/21/83/84/565218384.db2.gz AWUPJVFBXIXWGB-GFCCVEGCSA-N 1 0 386.323 2.960 20 0 GFADRO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)Cc1ccc(Br)c(Br)c1 ZINC000638931099 565218401 /nfs/dbraw/zinc/21/84/01/565218401.db2.gz NTQJYFHKHLNMJW-PSASIEDQSA-N 1 0 376.092 2.702 20 0 GFADRO CCn1c(CNC(=O)NCC[C@@H]([NH3+])C(C)C)nc2cc(Br)ccc21 ZINC000659484928 565218324 /nfs/dbraw/zinc/21/83/24/565218324.db2.gz ATRQFCCCFPDAPK-CYBMUJFWSA-N 1 0 396.333 2.991 20 0 GFADRO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)c1cccc(NC(=O)c2ccc(Br)o2)c1 ZINC000638938848 565218491 /nfs/dbraw/zinc/21/84/91/565218491.db2.gz KWZGWKJTCAYPDV-ZYHUDNBSSA-N 1 0 392.253 2.856 20 0 GFADRO CC1(CNC(=O)N2CCOC[C@@H]2c2ccc(Br)cc2)CC[NH2+]CC1 ZINC000659529380 565219438 /nfs/dbraw/zinc/21/94/38/565219438.db2.gz KRMOIFJCXUOAPC-MRXNPFEDSA-N 1 0 396.329 2.922 20 0 GFADRO C[NH+]1CCC(n2cc(NC(=O)[C@H](N)c3ccccc3Br)cn2)CC1 ZINC000638977715 565219640 /nfs/dbraw/zinc/21/96/40/565219640.db2.gz OOKMDUGMCRMQCQ-MRXNPFEDSA-N 1 0 392.301 2.551 20 0 GFADRO CC[C@@H](Cc1ccc(Br)cc1)NC(=O)NC[C@@]1(COC)CCC[NH2+]1 ZINC000659542388 565220307 /nfs/dbraw/zinc/22/03/07/565220307.db2.gz NSVJXFQFNRZSQV-FUHWJXTLSA-N 1 0 398.345 2.838 20 0 GFADRO C[NH2+]C[C@H](C)NC(=O)N(Cc1cccc(Br)c1)C1CCOCC1 ZINC000659641002 565221263 /nfs/dbraw/zinc/22/12/63/565221263.db2.gz PGFYBOWZXHFODD-ZDUSSCGKSA-N 1 0 384.318 2.748 20 0 GFADRO [NH3+]Cc1cn([C@H]2CCCN(C(=O)NCc3ccc(Cl)c(Cl)c3)C2)nn1 ZINC000659600439 565221367 /nfs/dbraw/zinc/22/13/67/565221367.db2.gz YZWYNFLCKVDQKG-ZDUSSCGKSA-N 1 0 383.283 2.590 20 0 GFADRO O=C(NCC1CC[NH+](C2CCOCC2)CC1)c1ccc(Br)c(O)c1 ZINC000617111132 565221818 /nfs/dbraw/zinc/22/18/18/565221818.db2.gz ILPQHRQIVVBVHD-UHFFFAOYSA-N 1 0 397.313 2.776 20 0 GFADRO [NH3+]C1(CNC(=O)C(=O)N(Cc2cccs2)Cc2cccs2)CCCC1 ZINC000659731793 565222132 /nfs/dbraw/zinc/22/21/32/565222132.db2.gz CSMBMSSCCWRSRM-UHFFFAOYSA-N 1 0 377.535 2.726 20 0 GFADRO CCCN(Cc1ccccc1Br)C(=O)C(=O)NCC1([NH3+])CCCC1 ZINC000659732568 565222507 /nfs/dbraw/zinc/22/25/07/565222507.db2.gz QGSXLYMVZFAMKQ-UHFFFAOYSA-N 1 0 396.329 2.575 20 0 GFADRO CO[C@H](C[NH2+]CCc1cn2cc(Br)cc(C)c2n1)[C@H]1CCOC1 ZINC000639063549 565223023 /nfs/dbraw/zinc/22/30/23/565223023.db2.gz XUZUMDARTLDOLM-XJKSGUPXSA-N 1 0 382.302 2.589 20 0 GFADRO CO[C@H](C[NH2+]CCc1cn2cc(Br)cc(C)c2n1)C1CCOCC1 ZINC000639063496 565223083 /nfs/dbraw/zinc/22/30/83/565223083.db2.gz WWPPDEASIFQIGB-QGZVFWFLSA-N 1 0 396.329 2.979 20 0 GFADRO CO[C@H](C[N@H+](CCO)Cc1cc(Br)cs1)C1CCOCC1 ZINC000639104806 565225624 /nfs/dbraw/zinc/22/56/24/565225624.db2.gz DGPVHRGIVCKKBF-OAHLLOKOSA-N 1 0 378.332 2.747 20 0 GFADRO CC1(C)CN(C(=O)Cn2cc(Br)cn2)CC[N@@H+]1Cc1ccccc1 ZINC000591370672 565226847 /nfs/dbraw/zinc/22/68/47/565226847.db2.gz JXWBQJGXRJKLMA-UHFFFAOYSA-N 1 0 391.313 2.769 20 0 GFADRO Fc1ccc(C[NH2+]CCOC[C@H]2CCOC2)c(I)c1 ZINC000591355454 565227398 /nfs/dbraw/zinc/22/73/98/565227398.db2.gz FSVOEEVNVSBCKM-NSHDSACASA-N 1 0 379.213 2.573 20 0 GFADRO CN(Cc1c(F)cccc1Cl)S(=O)(=O)NCC[N@H+](C)C1CCCC1 ZINC000591398673 565228200 /nfs/dbraw/zinc/22/82/00/565228200.db2.gz YGQZRCMTFXPNLZ-UHFFFAOYSA-N 1 0 377.913 2.620 20 0 GFADRO C[NH+](C)CCN(Cc1ccccc1)Cc1ccc(Cl)c(S(N)(=O)=O)c1 ZINC000639167484 565229854 /nfs/dbraw/zinc/22/98/54/565229854.db2.gz GEEWSQSZCUHDPS-UHFFFAOYSA-N 1 0 381.929 2.551 20 0 GFADRO NS(=O)(=O)c1ccc(CN2CCC[C@H]2c2cccnc2)cc1Br ZINC000639168171 565230490 /nfs/dbraw/zinc/23/04/90/565230490.db2.gz OMXNEKCOBDJILZ-HNNXBMFYSA-N 1 0 396.310 2.829 20 0 GFADRO C[C@H]1CCN(c2ncnc3ccc(I)cc32)C[C@H]1C[NH3+] ZINC000591446037 565231361 /nfs/dbraw/zinc/23/13/61/565231361.db2.gz MWSMFGVTOWNRSK-WDEREUQCSA-N 1 0 382.249 2.656 20 0 GFADRO O=C(CC[NH2+][C@@H]1CCCS(=O)(=O)CC1)Nc1cc(Cl)cc(Cl)c1 ZINC000639211003 565233130 /nfs/dbraw/zinc/23/31/30/565233130.db2.gz KEIOWFFPCWSHIK-CYBMUJFWSA-N 1 0 379.309 2.879 20 0 GFADRO O=C(CN1CC[C@H](C[NH+]2CCCC2)C1)c1c[nH]c2ncc(Br)cc12 ZINC000659949339 565233530 /nfs/dbraw/zinc/23/35/30/565233530.db2.gz VSDJMCYPYAKJTO-CYBMUJFWSA-N 1 0 391.313 2.926 20 0 GFADRO COc1nsc(C[NH2+][C@@H]2CCO[C@H](c3nccn3C)C2)c1Br ZINC000639242745 565235348 /nfs/dbraw/zinc/23/53/48/565235348.db2.gz RXIOSEUHYYILQX-ZJUUUORDSA-N 1 0 387.303 2.658 20 0 GFADRO COc1nsc(C[NH2+]C[C@@H](CO)c2ccc(F)cc2)c1Br ZINC000639264334 565235667 /nfs/dbraw/zinc/23/56/67/565235667.db2.gz CHSXGDCZRPAAIG-JTQLQIEISA-N 1 0 375.263 2.919 20 0 GFADRO C[C@H]1C[C@H](N(C)CC(=O)c2c[nH]c3ncc(Br)cc23)CC[N@@H+]1C ZINC000659983163 565236656 /nfs/dbraw/zinc/23/66/56/565236656.db2.gz GAPFKSVOZLZPNW-WCQYABFASA-N 1 0 379.302 2.923 20 0 GFADRO Cn1nccc1[C@H](CO)[NH2+][C@H]1CCN(C)[C@H](c2ccc(Br)cc2)C1 ZINC000639257399 565236684 /nfs/dbraw/zinc/23/66/84/565236684.db2.gz NDWVTGOKQNPBMP-BQFCYCMXSA-N 1 0 393.329 2.641 20 0 GFADRO CC[NH+](CC)CCO[C@@H]1CCN(Cc2cc(Br)cnc2OC)C1 ZINC000659978305 565236759 /nfs/dbraw/zinc/23/67/59/565236759.db2.gz CJQYHUMHLSKDGM-MRXNPFEDSA-N 1 0 386.334 2.785 20 0 GFADRO C[NH+](C)C[C@@H]1CCCCN1S(=O)(=O)c1cccc(Br)c1F ZINC000660008602 565237504 /nfs/dbraw/zinc/23/75/04/565237504.db2.gz DADYKJGFTABPMG-NSHDSACASA-N 1 0 379.295 2.693 20 0 GFADRO C[C@@H]1C[NH+](CCN2CCN(Cc3ccc(Br)cc3)CC2)C[C@@H](C)O1 ZINC000660010135 565237591 /nfs/dbraw/zinc/23/75/91/565237591.db2.gz FDHXWUKXWDIOHJ-IAGOWNOFSA-N 1 0 396.373 2.676 20 0 GFADRO CO[C@]1(C[NH2+]C2CCN(Cc3cccc(Br)c3)CC2)CCOC1 ZINC000639273263 565237765 /nfs/dbraw/zinc/23/77/65/565237765.db2.gz MJMCGSBQUARKIH-SFHVURJKSA-N 1 0 383.330 2.809 20 0 GFADRO CO[C@H](C[N@H+](C)C[C@@H](O)COc1cc(Cl)cc(Cl)c1)[C@@H]1CCOC1 ZINC000639359215 565242659 /nfs/dbraw/zinc/24/26/59/565242659.db2.gz BDADZXZIOMQLFN-SRCQZFHVSA-N 1 0 378.296 2.716 20 0 GFADRO C[C@@]12C[NH+](Cc3csc(-c4ccc(Cl)cc4)n3)C[C@@]1(C)C(=O)NC2=O ZINC000639363082 565242675 /nfs/dbraw/zinc/24/26/75/565242675.db2.gz YGXDOIXBKFXZHT-ROUUACIJSA-N 1 0 375.881 2.948 20 0 GFADRO CCO[C@@H]1C[C@@H](NC(=O)NCC2([NH+]3CCSCC3)CCCC2)[C@@H]1SC ZINC000591915547 565244064 /nfs/dbraw/zinc/24/40/64/565244064.db2.gz QFHFYECGHSBZSE-OAGGEKHMSA-N 1 0 387.615 2.556 20 0 GFADRO CN(Cc1nnc(C2CC2)n1C)C[C@H](O)COc1cc(Cl)cc(Cl)c1 ZINC000639509305 565247875 /nfs/dbraw/zinc/24/78/75/565247875.db2.gz YRAFZFLMWPVNRY-AWEZNQCLSA-N 1 0 385.295 2.871 20 0 GFADRO C[C@](O)(C[C@@H](O)C[NH2+]C1(c2cccc(Br)c2)CCOCC1)C1CC1 ZINC000639539419 565249076 /nfs/dbraw/zinc/24/90/76/565249076.db2.gz XABXJELUHQQPBH-MSOLQXFVSA-N 1 0 398.341 2.956 20 0 GFADRO COc1ncc(Br)cc1CN(C)[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000660082923 565249081 /nfs/dbraw/zinc/24/90/81/565249081.db2.gz OVQURQBOHAXURL-KBPBESRZSA-N 1 0 391.331 2.640 20 0 GFADRO C[C@H]([NH2+]C[C@@H]1CCc2ncnn21)c1cc2c(cc1Br)OCCO2 ZINC000639562146 565251284 /nfs/dbraw/zinc/25/12/84/565251284.db2.gz SGNLXDDADBUQEP-QWRGUYRKSA-N 1 0 379.258 2.650 20 0 GFADRO COCC[N@@H+](Cc1cc(Br)cs1)C[C@H](O)C[C@@](C)(O)C1CC1 ZINC000639634620 565252311 /nfs/dbraw/zinc/25/23/11/565252311.db2.gz SJHFCXZZCTXCDV-GDBMZVCRSA-N 1 0 392.359 2.871 20 0 GFADRO Brc1ccc(C[N@H+](CCn2ccnc2)C[C@H]2CCc3ncnn32)o1 ZINC000639639215 565253552 /nfs/dbraw/zinc/25/35/52/565253552.db2.gz SYNQZUWDBOUVIL-CYBMUJFWSA-N 1 0 391.273 2.520 20 0 GFADRO CC(C)[NH+]1CCC(N2CCN(Cc3ncsc3Br)CC2)CC1 ZINC000660107166 565253791 /nfs/dbraw/zinc/25/37/91/565253791.db2.gz MNIYDBBELBSOJL-UHFFFAOYSA-N 1 0 387.391 2.896 20 0 GFADRO COc1ccc(Br)cc1C1([NH2+]C[C@H](O)C[C@](C)(O)C2CC2)CC1 ZINC000639692024 565255457 /nfs/dbraw/zinc/25/54/57/565255457.db2.gz AUOYTMXLDOKIPK-PBHICJAKSA-N 1 0 384.314 2.948 20 0 GFADRO CC(C)[C@@H](NC(=O)c1ccccc1Br)C(=O)NCC[C@H](C)[NH+](C)C ZINC000617745684 565256491 /nfs/dbraw/zinc/25/64/91/565256491.db2.gz TYFFLPMLZSSOFV-XJKSGUPXSA-N 1 0 398.345 2.660 20 0 GFADRO CN(CCC[NH+](C)C)CCNC(=O)[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000617762253 565256834 /nfs/dbraw/zinc/25/68/34/565256834.db2.gz KXGZCXSGHLJWCU-DLBZAZTESA-N 1 0 382.346 2.552 20 0 GFADRO C[C@H](CCNC(=O)[C@@H]1CCCN1C(=O)c1ccc(Br)cc1)[NH+](C)C ZINC000617751365 565257321 /nfs/dbraw/zinc/25/73/21/565257321.db2.gz WLLADMHNPRXCGB-CJNGLKHVSA-N 1 0 396.329 2.510 20 0 GFADRO C[C@@H](CCNC(=O)[C@H]1CCCN1C(=O)c1ccc(Br)cc1)[NH+](C)C ZINC000617751367 565257473 /nfs/dbraw/zinc/25/74/73/565257473.db2.gz WLLADMHNPRXCGB-XJKSGUPXSA-N 1 0 396.329 2.510 20 0 GFADRO Cc1ccc(CCC(=O)NCCN(C)CCC[NH+](C)C)c(Br)c1 ZINC000617764860 565258629 /nfs/dbraw/zinc/25/86/29/565258629.db2.gz JKPHJUHLVUDSPQ-UHFFFAOYSA-N 1 0 384.362 2.690 20 0 GFADRO CC[N@@H+]1C[C@H](C)N(CC(=O)c2c[nH]c3ncc(Br)cc23)C[C@@H]1C ZINC000660156021 565261087 /nfs/dbraw/zinc/26/10/87/565261087.db2.gz POICMQBEADSHDX-RYUDHWBXSA-N 1 0 379.302 2.923 20 0 GFADRO COC[C@@H]([NH2+]C[C@@H](O)COc1cc(Cl)cc(Cl)c1)C1CCOCC1 ZINC000639784155 565262122 /nfs/dbraw/zinc/26/21/22/565262122.db2.gz JKQQULODPBFSAA-NVXWUHKLSA-N 1 0 378.296 2.764 20 0 GFADRO CCN(C(=O)Cc1cc2c(cc1Br)OCCO2)[C@@H]1CC[N@H+](CC)C1 ZINC000617932642 565268034 /nfs/dbraw/zinc/26/80/34/565268034.db2.gz WOOGNDCIIQWILJ-CQSZACIVSA-N 1 0 397.313 2.706 20 0 GFADRO CC[NH+]1CCC(NC(=O)CN(C)Cc2ccc(Br)cc2F)CC1 ZINC000639921141 565268645 /nfs/dbraw/zinc/26/86/45/565268645.db2.gz KPFKUDSPNAVTCF-UHFFFAOYSA-N 1 0 386.309 2.621 20 0 GFADRO CC[C@H]1CN(C(=O)c2ccc(I)c(F)c2)CC[C@@H]1[NH3+] ZINC000592332864 565270334 /nfs/dbraw/zinc/27/03/34/565270334.db2.gz POMIBRUAAYYBEO-ZANVPECISA-N 1 0 376.213 2.630 20 0 GFADRO C[C@@H]1C[C@@H](C)C[NH+](CCN2CCN(c3nnc(C(F)(F)F)s3)CC2)C1 ZINC000660323870 565270507 /nfs/dbraw/zinc/27/05/07/565270507.db2.gz FNDBOTSSPMHNNP-CHWSQXEVSA-N 1 0 377.480 2.657 20 0 GFADRO O=C(NCC1CC[NH+](Cc2ccncc2)CC1)c1cncc(Br)c1 ZINC000617979326 565270656 /nfs/dbraw/zinc/27/06/56/565270656.db2.gz VUHXTLNHZAOKBQ-UHFFFAOYSA-N 1 0 389.297 2.881 20 0 GFADRO CS[C@@H]1CN(C(=O)c2ncc(Br)s2)C[C@H]1[NH+]1CCCC1 ZINC000618020653 565271785 /nfs/dbraw/zinc/27/17/85/565271785.db2.gz SMIUJIJYHMDBQA-NXEZZACHSA-N 1 0 376.345 2.557 20 0 GFADRO CC(=O)Nc1ccc(S(=O)(=O)CCC[NH2+][C@H](C)c2cnc(C)s2)cc1 ZINC000639994822 565272842 /nfs/dbraw/zinc/27/28/42/565272842.db2.gz NCDUQORVQXMZKR-GFCCVEGCSA-N 1 0 381.523 2.925 20 0 GFADRO COC(=O)c1cc(F)c(Br)cc1NC(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000592425577 565275249 /nfs/dbraw/zinc/27/52/49/565275249.db2.gz DWCQHVQLLXQKKU-YUMQZZPRSA-N 1 0 376.226 2.622 20 0 GFADRO CC(C)(C(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)c1cccc(Br)c1 ZINC000592411672 565275370 /nfs/dbraw/zinc/27/53/70/565275370.db2.gz ZZRRUYLGJFTCHB-IRXDYDNUSA-N 1 0 395.341 2.784 20 0 GFADRO O[C@@H](COc1ccc(Cl)cc1Br)C[N@@H+]1C[C@@H]2C[C@H]1C[C@H](O)C2 ZINC000640075624 565277639 /nfs/dbraw/zinc/27/76/39/565277639.db2.gz BPHBFWRWSNFBDQ-YXCITZCRSA-N 1 0 390.705 2.687 20 0 GFADRO O=c1cc(C[N@H+]2CC[C@H](O)[C@H]3CCCC[C@@H]32)nc2ccc(Br)cn12 ZINC000640097727 565278681 /nfs/dbraw/zinc/27/86/81/565278681.db2.gz MHUZKTVWXKQFDX-JYJNAYRXSA-N 1 0 392.297 2.582 20 0 GFADRO C[C@@H](Cc1cccc(Br)c1)NC(=O)c1cnn2c1[C@@H](C[NH3+])CCC2 ZINC000592498770 565278935 /nfs/dbraw/zinc/27/89/35/565278935.db2.gz FDVOGQRNGGOCEH-GXTWGEPZSA-N 1 0 391.313 2.843 20 0 GFADRO O=C(NCCc1ccccc1Br)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000660511486 565280598 /nfs/dbraw/zinc/28/05/98/565280598.db2.gz NKQPHMIMVTZEBL-MRXNPFEDSA-N 1 0 396.329 2.544 20 0 GFADRO Cc1cc(Br)cc(NC(=O)c2cnn3c2[C@@H](C[NH3+])CCC3)c1N ZINC000592540968 565281177 /nfs/dbraw/zinc/28/11/77/565281177.db2.gz BICYONLCHZVYMQ-SNVBAGLBSA-N 1 0 378.274 2.625 20 0 GFADRO [NH3+]C1(C(=O)NCc2ccc(I)c(Cl)c2)CCCC1 ZINC000592564843 565282456 /nfs/dbraw/zinc/28/24/56/565282456.db2.gz WRYQBCVFPPVFFF-UHFFFAOYSA-N 1 0 378.641 2.832 20 0 GFADRO COc1ncc(Br)cc1C[NH2+][C@@H]1CCC[C@H]2CN(C(C)=O)C[C@H]21 ZINC000660561503 565282768 /nfs/dbraw/zinc/28/27/68/565282768.db2.gz WSEFCXQRNHGQSH-APHBMKBZSA-N 1 0 382.302 2.589 20 0 GFADRO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl ZINC000618306097 565286109 /nfs/dbraw/zinc/28/61/09/565286109.db2.gz SUCWIAVUYLBHFB-CABCVRRESA-N 1 0 386.323 2.575 20 0 GFADRO CC(C)[C@@H](CNC(=O)Nc1cscc1Br)[NH+]1CCN(C)CC1 ZINC000640191835 565286272 /nfs/dbraw/zinc/28/62/72/565286272.db2.gz MRMJMSQCOUZBCP-CQSZACIVSA-N 1 0 389.363 2.904 20 0 GFADRO CNS(=O)(=O)c1ccc(C[N@@H+]2CC[C@H](Oc3ccc(Cl)cc3)C2)cc1 ZINC000660659564 565287527 /nfs/dbraw/zinc/28/75/27/565287527.db2.gz ZXFGQTTVDLHAOJ-KRWDZBQOSA-N 1 0 380.897 2.901 20 0 GFADRO COCC[N@@H+]1CC[C@@H](NC(=O)N2CC[C@@H]2c2ccc(Br)cc2)C1 ZINC000660705596 565289537 /nfs/dbraw/zinc/28/95/37/565289537.db2.gz HMNFWTDLASHZGU-HZPDHXFCSA-N 1 0 382.302 2.626 20 0 GFADRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)Nc1nn(CC(F)(F)F)cc1Cl ZINC000640294998 565294945 /nfs/dbraw/zinc/29/49/45/565294945.db2.gz OHLWMTIPAJGRAO-LLVKDONJSA-N 1 0 381.830 3.437 20 0 GFADRO CC[NH+]1CCC(NC(=O)N2CCN(c3ccc(Br)cc3)CC2)CC1 ZINC000660819007 565295422 /nfs/dbraw/zinc/29/54/22/565295422.db2.gz GXQBJBZSFOBMCK-UHFFFAOYSA-N 1 0 395.345 2.765 20 0 GFADRO C[NH+](C)[C@@]1(CNC(=O)N[C@H](CO)c2cccc(Cl)c2Cl)CCSC1 ZINC000660826125 565295535 /nfs/dbraw/zinc/29/55/35/565295535.db2.gz ZKBHFANCOCVPEI-CZUORRHYSA-N 1 0 392.352 2.763 20 0 GFADRO C[C@@H]1[C@H](C(=O)NCc2ccc(I)cc2Cl)CC[N@@H+]1C ZINC000592796527 565296232 /nfs/dbraw/zinc/29/62/32/565296232.db2.gz ZOWOHUKDPOKIRY-BXKDBHETSA-N 1 0 392.668 2.901 20 0 GFADRO Cc1ccc(Br)cc1C[NH+]1CCC(NC(=O)N2CCOCC2)CC1 ZINC000660858803 565296526 /nfs/dbraw/zinc/29/65/26/565296526.db2.gz QNPBFIXSMWUCPW-UHFFFAOYSA-N 1 0 396.329 2.764 20 0 GFADRO O=C(NC[C@H]1CC[N@@H+]1C1CCCC1)Nc1nn(CC(F)(F)F)cc1Cl ZINC000640302005 565297107 /nfs/dbraw/zinc/29/71/07/565297107.db2.gz HRMGISVBZMOJBF-LLVKDONJSA-N 1 0 379.814 3.237 20 0 GFADRO CC(C)(CNC(=O)Nc1nn(CC(F)(F)F)cc1Cl)C[NH+]1CCCC1 ZINC000640302898 565297290 /nfs/dbraw/zinc/29/72/90/565297290.db2.gz UZSJTRIMPDUPRY-UHFFFAOYSA-N 1 0 381.830 3.342 20 0 GFADRO C[NH+](C)C1CCN(C(=O)c2ccn(-c3cccc(Br)c3)n2)CC1 ZINC000592831845 565299482 /nfs/dbraw/zinc/29/94/82/565299482.db2.gz RJAFHTZZFCSZEP-UHFFFAOYSA-N 1 0 377.286 2.801 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)c1ccn(-c2cccc(Br)c2)n1 ZINC000592851675 565300680 /nfs/dbraw/zinc/30/06/80/565300680.db2.gz SCMBPDVPYQZDID-CYBMUJFWSA-N 1 0 375.270 2.601 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)Nc2nn(C)cc2Br)C1 ZINC000640327780 565303299 /nfs/dbraw/zinc/30/32/99/565303299.db2.gz SOQPZHFVLOLGKZ-ZIAGYGMSSA-N 1 0 398.349 3.301 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)CCC[N@@H+]1C[C@@H]2C[C@H]1C[S@]2=O ZINC000593102502 565314300 /nfs/dbraw/zinc/31/43/00/565314300.db2.gz XQZGTJUKWQJKGG-XAPDGSRCSA-N 1 0 399.354 2.990 20 0 GFADRO CO[C@@H]1CCC[C@H]([C@H](CO)[NH2+]CCC(=O)Nc2ccc(Br)cc2)C1 ZINC000661220560 565314682 /nfs/dbraw/zinc/31/46/82/565314682.db2.gz RFFMZSYZAQJDOB-XKQJLSEDSA-N 1 0 399.329 2.933 20 0 GFADRO C[NH+](C)Cc1ccnc(NC(=O)NCc2ccc(O)c(Br)c2)c1 ZINC000640565667 565316555 /nfs/dbraw/zinc/31/65/55/565316555.db2.gz VWHITMXGQMUSNR-UHFFFAOYSA-N 1 0 379.258 2.933 20 0 GFADRO C[C@@H](NC(=O)Nc1cc(C[NH+](C)C)ccn1)c1ncc(Br)cn1 ZINC000640571923 565316831 /nfs/dbraw/zinc/31/68/31/565316831.db2.gz GSLBTQWZZSMMTH-SNVBAGLBSA-N 1 0 379.262 2.578 20 0 GFADRO C[C@@H]1[C@H](C)N(C(=O)c2csc(I)c2)[C@@H](C)C[N@@H+]1C ZINC000593189209 565318197 /nfs/dbraw/zinc/31/81/97/565318197.db2.gz XPCMVONNLOKJBQ-AEJSXWLSSA-N 1 0 378.279 2.906 20 0 GFADRO CC[NH+]1CCN(CC(=O)Nc2ccc(Br)c3ncccc23)CC1 ZINC000618874643 565320415 /nfs/dbraw/zinc/32/04/15/565320415.db2.gz AJJUFWDTNRECSS-UHFFFAOYSA-N 1 0 377.286 2.573 20 0 GFADRO C[C@@H](CO)[C@H]1CCCC[N@@H+]1CC(=O)N(C)Cc1ccccc1Br ZINC000661430972 565323593 /nfs/dbraw/zinc/32/35/93/565323593.db2.gz AMMVITXLVQTWEQ-WMLDXEAASA-N 1 0 383.330 2.890 20 0 GFADRO [NH3+][C@H](c1cn(CC(=O)Nc2cccc(Cl)c2Cl)nn1)C1CCOCC1 ZINC000640763036 565325907 /nfs/dbraw/zinc/32/59/07/565325907.db2.gz CYKZDXDCMUSELK-INIZCTEOSA-N 1 0 384.267 2.650 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)N[C@@H](CO)c2ccc(Br)cc2)C1 ZINC000661510200 565327123 /nfs/dbraw/zinc/32/71/23/565327123.db2.gz UBZMPJWDIZATCY-GJZGRUSLSA-N 1 0 384.318 2.655 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)N[C@@H](CO)c2ccc(Br)cc2)C1 ZINC000661510198 565327202 /nfs/dbraw/zinc/32/72/02/565327202.db2.gz UBZMPJWDIZATCY-CABCVRRESA-N 1 0 384.318 2.655 20 0 GFADRO C[C@H](C(=O)Nc1cc(Cl)ccc1Cl)n1cc(CN(C)CCC[NH3+])nn1 ZINC000640801148 565328802 /nfs/dbraw/zinc/32/88/02/565328802.db2.gz ARWHOTKBOICJKH-LLVKDONJSA-N 1 0 385.299 2.565 20 0 GFADRO C[C@@H](NC(=O)Cn1cc(C[C@H]2CC[NH2+]C2)nn1)c1ccc(Cl)cc1Cl ZINC000640838452 565330086 /nfs/dbraw/zinc/33/00/86/565330086.db2.gz GTAYTUWZCWJOFU-VXGBXAGGSA-N 1 0 382.295 2.614 20 0 GFADRO C[C@H](NC(=O)Cn1cc([C@H]2CCC[NH2+]C2)nn1)c1ccc(Cl)c(Cl)c1 ZINC000640848524 565331037 /nfs/dbraw/zinc/33/10/37/565331037.db2.gz QOYNTAYVAKOFJY-AAEUAGOBSA-N 1 0 382.295 2.929 20 0 GFADRO CC[NH+]1CCN([C@H]2CCN(c3ncnc4cc(Br)sc43)C2)CC1 ZINC000593462997 565332811 /nfs/dbraw/zinc/33/28/11/565332811.db2.gz JTARKLMAGHOVBF-LBPRGKRZSA-N 1 0 396.358 2.670 20 0 GFADRO C[C@@H](C(=O)Nc1cccc(Br)c1)n1cc([C@@H]2CCC[NH2+]C2)nn1 ZINC000640881142 565333625 /nfs/dbraw/zinc/33/36/25/565333625.db2.gz OKBDEPGLKSCQBX-NWDGAFQWSA-N 1 0 378.274 2.707 20 0 GFADRO Cc1ccc(NC(=O)[C@@H](C)n2cc(CCCC[NH3+])nn2)c(Br)c1 ZINC000640888938 565335163 /nfs/dbraw/zinc/33/51/63/565335163.db2.gz WAEJUOJAGGUUBH-GFCCVEGCSA-N 1 0 380.290 2.830 20 0 GFADRO Cc1cc(NC(=O)[C@@H](C)n2cc(C[C@H]3CC[NH2+]C3)nn2)ccc1Br ZINC000640906997 565336283 /nfs/dbraw/zinc/33/62/83/565336283.db2.gz MJCCYSIKABEJDW-CHWSQXEVSA-N 1 0 392.301 2.701 20 0 GFADRO C[NH2+]C(C)(C)c1cn([C@H](C)C(=O)N(C)Cc2ccc(Br)cc2)nn1 ZINC000640925177 565337244 /nfs/dbraw/zinc/33/72/44/565337244.db2.gz IBJRSAOEXFNFKA-GFCCVEGCSA-N 1 0 394.317 2.715 20 0 GFADRO Cn1cc(C[C@@H]2CCC[C@H]2[NH2+][C@@H](C(N)=O)c2cccc(Br)c2)cn1 ZINC000661776534 565337434 /nfs/dbraw/zinc/33/74/34/565337434.db2.gz AEMLEOSVQLXSBD-IAOVAPTHSA-N 1 0 391.313 2.710 20 0 GFADRO CCN(CC)C(=O)[C@H](C)n1cc([C@@H]([NH3+])c2ccc(Br)cc2)nn1 ZINC000640919303 565337555 /nfs/dbraw/zinc/33/75/55/565337555.db2.gz CQSLJRVIAIYKHT-NHYWBVRUSA-N 1 0 380.290 2.518 20 0 GFADRO O=C1CNC(=O)N1CCN1CCc2sccc2[C@@H]1c1ccc(Cl)cc1 ZINC000661790529 565337763 /nfs/dbraw/zinc/33/77/63/565337763.db2.gz AIGNLYWCSXZTSD-KRWDZBQOSA-N 1 0 375.881 2.901 20 0 GFADRO O=C(CN1CCc2sccc2[C@H]1c1ccc(Cl)cc1)N1CCNC1=O ZINC000661792736 565338354 /nfs/dbraw/zinc/33/83/54/565338354.db2.gz VBEZNRSKXUHNDS-QGZVFWFLSA-N 1 0 375.881 2.901 20 0 GFADRO C[NH+](C)CCCNC(=O)NCc1ccc(I)cc1Cl ZINC000619423782 565339914 /nfs/dbraw/zinc/33/99/14/565339914.db2.gz AIPZXUZGBNTEAR-UHFFFAOYSA-N 1 0 395.672 2.696 20 0 GFADRO C[NH+](C)CCc1cn(Cc2cc(Br)ccc2OC(F)F)nn1 ZINC000641009577 565340974 /nfs/dbraw/zinc/34/09/74/565340974.db2.gz KAZZXMXDCBUNLI-UHFFFAOYSA-N 1 0 375.217 2.794 20 0 GFADRO [NH3+][C@@H](c1cn(Cc2cn3cc(Cl)cc(Cl)c3n2)nn1)C1CCOCC1 ZINC000641018297 565342389 /nfs/dbraw/zinc/34/23/89/565342389.db2.gz KNJKNAHJFUPWBE-OAHLLOKOSA-N 1 0 381.267 2.707 20 0 GFADRO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)N[C@@H](CO)c1ccc(Br)cc1 ZINC000661897992 565342472 /nfs/dbraw/zinc/34/24/72/565342472.db2.gz MQEWNCVYOIIREV-YOEHRIQHSA-N 1 0 398.345 2.902 20 0 GFADRO CC[C@@H]([NH2+]CC1(S(C)(=O)=O)CC1)c1ccc(I)cc1 ZINC000619466040 565342537 /nfs/dbraw/zinc/34/25/37/565342537.db2.gz RPKLDTOPUARSHU-CYBMUJFWSA-N 1 0 393.290 2.909 20 0 GFADRO C[NH+](C)CCc1cn(Cc2ncc(-c3cccc(Br)c3)o2)nn1 ZINC000641073352 565344661 /nfs/dbraw/zinc/34/46/61/565344661.db2.gz TUJPCPNCMUDXDE-UHFFFAOYSA-N 1 0 376.258 2.848 20 0 GFADRO CC(C)[C@@H]([NH3+])c1cn([C@@H]2CCN(c3cccc(Br)c3)C2=O)nn1 ZINC000641104942 565345680 /nfs/dbraw/zinc/34/56/80/565345680.db2.gz NDPWCHHEQWXJEF-HUUCEWRRSA-N 1 0 378.274 2.674 20 0 GFADRO CC(C)(C)N1CC[C@@H](n2cc([C@@H]([NH3+])c3ccc(Br)cc3)nn2)C1=O ZINC000641107423 565345891 /nfs/dbraw/zinc/34/58/91/565345891.db2.gz SEZPSEPIIVZKPB-CABCVRRESA-N 1 0 392.301 2.661 20 0 GFADRO C[NH+](C)CCc1cn(Cc2cccc(Br)c2OC(F)F)nn1 ZINC000641123640 565348245 /nfs/dbraw/zinc/34/82/45/565348245.db2.gz WVWZUNUAZZHMDC-UHFFFAOYSA-N 1 0 375.217 2.794 20 0 GFADRO CCc1nnc(Cn2cc([C@H]([NH3+])c3ccc(Br)cc3)nn2)s1 ZINC000641156165 565349945 /nfs/dbraw/zinc/34/99/45/565349945.db2.gz CDSYUPVSNLQJJY-CQSZACIVSA-N 1 0 379.287 2.551 20 0 GFADRO COCC[C@H]([NH3+])Cc1cn(Cc2ccc(Br)c3cccnc23)nn1 ZINC000641156906 565350954 /nfs/dbraw/zinc/35/09/54/565350954.db2.gz IJGXZDSLNJVEPJ-ZDUSSCGKSA-N 1 0 390.285 2.543 20 0 GFADRO [NH3+][C@H](c1cn(C[C@@H](O)COCc2cccs2)nn1)c1ccc(Cl)cc1 ZINC000641196953 565353449 /nfs/dbraw/zinc/35/34/49/565353449.db2.gz CTIKVIKJTRSHEG-PBHICJAKSA-N 1 0 378.885 2.619 20 0 GFADRO O[C@@H](COc1ccc(Cl)cc1Cl)Cn1cc(C[C@@H]2CCC[NH2+]C2)nn1 ZINC000641196804 565353571 /nfs/dbraw/zinc/35/35/71/565353571.db2.gz SMWHLXFISMPJOU-SWLSCSKDSA-N 1 0 385.295 2.567 20 0 GFADRO O[C@@H](COc1ccc(Cl)c(Cl)c1)Cn1cc(C[C@@H]2CCC[NH2+]C2)nn1 ZINC000641206265 565354641 /nfs/dbraw/zinc/35/46/41/565354641.db2.gz RELXUJWHAOJHEN-GXTWGEPZSA-N 1 0 385.295 2.567 20 0 GFADRO CC[C@@H]([NH2+][C@H](C)C(=O)NCCF)c1ccc(I)cc1 ZINC000619724524 565356685 /nfs/dbraw/zinc/35/66/85/565356685.db2.gz DPAYPPGZOCQSTR-ZWNOBZJWSA-N 1 0 378.229 2.806 20 0 GFADRO Cc1cc(NC(=O)CN2CCO[C@H](CCC[NH+](C)C)C2)ccc1Br ZINC000662319507 565360384 /nfs/dbraw/zinc/36/03/84/565360384.db2.gz JAJFXHMIVCRPRT-MRXNPFEDSA-N 1 0 398.345 2.739 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)C[C@@H](C[NH3+])CC(C)C ZINC000662342556 565361464 /nfs/dbraw/zinc/36/14/64/565361464.db2.gz DCEWSANSMJLMMR-ZDUSSCGKSA-N 1 0 384.318 2.823 20 0 GFADRO CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCO[C@H]2c2cncc(Br)c2)C1 ZINC000619906187 565363538 /nfs/dbraw/zinc/36/35/38/565363538.db2.gz DWUDINFTFQOOKK-OAGGEKHMSA-N 1 0 382.302 2.522 20 0 GFADRO CN(CC[NH+]1CCCCC1)C(=O)Cc1ccccc1I ZINC000593884606 565366478 /nfs/dbraw/zinc/36/64/78/565366478.db2.gz TUXHXRYIKBFANP-UHFFFAOYSA-N 1 0 386.277 2.778 20 0 GFADRO CN(CC[NH+]1CCCCC1)C(=O)c1cc(I)ccc1O ZINC000593882289 565366542 /nfs/dbraw/zinc/36/65/42/565366542.db2.gz GILSKTXPERPRDV-UHFFFAOYSA-N 1 0 388.249 2.555 20 0 GFADRO CN(C(=O)Cc1ccc(Br)c(Br)c1)C1CC[NH2+]CC1 ZINC000662400131 565366660 /nfs/dbraw/zinc/36/66/60/565366660.db2.gz JHRSQNMJHXESRP-UHFFFAOYSA-N 1 0 390.119 2.965 20 0 GFADRO Cc1csc(C(=O)NCCC2CC[NH2+]CC2)c1I ZINC000593919257 565367227 /nfs/dbraw/zinc/36/72/27/565367227.db2.gz PMRBVJAYVRTKHR-UHFFFAOYSA-N 1 0 378.279 2.781 20 0 GFADRO [NH3+]C[C@H]1OCC[C@H]1C(=O)Nc1nc(-c2cccc(Br)c2)cs1 ZINC000662436447 565367334 /nfs/dbraw/zinc/36/73/34/565367334.db2.gz AHRNHYKRNXFOML-DGCLKSJQSA-N 1 0 382.283 2.875 20 0 GFADRO CCN(CC)S(=O)(=O)c1cc(NC(=O)[C@@H]2[NH2+]CCC2(C)C)ccc1Cl ZINC000662440471 565367413 /nfs/dbraw/zinc/36/74/13/565367413.db2.gz MRMRTHXJZNSREU-HNNXBMFYSA-N 1 0 387.933 2.697 20 0 GFADRO Cc1cc(Br)cc(C)c1CNC(=O)c1cnnn1C1CC[NH2+]CC1 ZINC000662422421 565367813 /nfs/dbraw/zinc/36/78/13/565367813.db2.gz OMZSJKCCDPSNLU-UHFFFAOYSA-N 1 0 392.301 2.512 20 0 GFADRO C[C@H]1CN(C(=O)Cc2ccc(Br)c(Br)c2)CC[C@H]1[NH3+] ZINC000662419838 565367971 /nfs/dbraw/zinc/36/79/71/565367971.db2.gz OQUNHHMXHREBMM-TVQRCGJNSA-N 1 0 390.119 2.950 20 0 GFADRO [NH3+]C[C@H]1OCC[C@H]1C(=O)Nc1ncc(Cc2ccc(Br)cc2)s1 ZINC000662457655 565369621 /nfs/dbraw/zinc/36/96/21/565369621.db2.gz CNKNNFXPFSBSTK-ZIAGYGMSSA-N 1 0 396.310 2.799 20 0 GFADRO O=C(N[C@H]1CCN(c2ccc(Cl)cc2)C1=O)c1cc2c(s1)CC[NH2+]C2 ZINC000662470543 565370023 /nfs/dbraw/zinc/37/00/23/565370023.db2.gz UOSKCLNOSKOPRL-AWEZNQCLSA-N 1 0 375.881 2.583 20 0 GFADRO O=C(NCCc1nc2cc(Cl)ccc2s1)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC000662460443 565370161 /nfs/dbraw/zinc/37/01/61/565370161.db2.gz JICKUCFCNMACJX-SNVBAGLBSA-N 1 0 375.885 2.722 20 0 GFADRO CN(Cc1cc(Cl)ccc1I)[C@H]1CCC(=O)N(C)C1 ZINC000593994899 565370631 /nfs/dbraw/zinc/37/06/31/565370631.db2.gz MDTYOQZUFHEGHO-LBPRGKRZSA-N 1 0 392.668 2.997 20 0 GFADRO O=C(Cc1ccc(I)cc1)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000594199028 565378355 /nfs/dbraw/zinc/37/83/55/565378355.db2.gz XXGKCYUUITUYAN-HZPDHXFCSA-N 1 0 398.288 2.967 20 0 GFADRO C[C@H](CNC(=O)c1cc(C(C)(C)[NH3+])no1)Oc1ccccc1Br ZINC000662632470 565379280 /nfs/dbraw/zinc/37/92/80/565379280.db2.gz QGIWFRIYOVAQJF-SNVBAGLBSA-N 1 0 382.258 2.828 20 0 GFADRO C[C@H](CNC(=O)[C@]1(C(F)(F)F)CC[NH2+]C1)Oc1ccccc1Br ZINC000662633019 565379416 /nfs/dbraw/zinc/37/94/16/565379416.db2.gz XGJLCPMCQNUVLI-YGRLFVJLSA-N 1 0 395.219 2.875 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)NCC1([NH3+])CCCC1 ZINC000662650755 565380348 /nfs/dbraw/zinc/38/03/48/565380348.db2.gz HBKTVRLPPYHRKX-CQSZACIVSA-N 1 0 384.567 2.739 20 0 GFADRO [NH3+]C1(CNC(=O)[C@H](c2ccc(Cl)cc2Cl)N2CCOCC2)CCCC1 ZINC000662650368 565380557 /nfs/dbraw/zinc/38/05/57/565380557.db2.gz TUKGECHXBAPFMH-INIZCTEOSA-N 1 0 386.323 2.754 20 0 GFADRO CC(C)[C@H](NC(=O)c1ccccc1Br)C(=O)NCC1([NH3+])CCCC1 ZINC000662652901 565380756 /nfs/dbraw/zinc/38/07/56/565380756.db2.gz IPNPDSIOVZFRAU-HNNXBMFYSA-N 1 0 396.329 2.591 20 0 GFADRO N[C@@H](C(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1)c1ccccc1Br ZINC000662684957 565382019 /nfs/dbraw/zinc/38/20/19/565382019.db2.gz MDSDURZHMVPTTD-IAGOWNOFSA-N 1 0 390.281 2.749 20 0 GFADRO [NH3+]C[C@H]1OCC[C@@H]1C(=O)Nc1ccc(Oc2cccc(Br)c2)nc1 ZINC000662706404 565382274 /nfs/dbraw/zinc/38/22/74/565382274.db2.gz CHSZWCQEGMUPIL-LSDHHAIUSA-N 1 0 392.253 2.939 20 0 GFADRO O=C(NC[C@@H]1CCN(c2ccc(Cl)cc2)C1)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662700596 565382517 /nfs/dbraw/zinc/38/25/17/565382517.db2.gz WHDVXWFRMYKCTB-BLLLJJGKSA-N 1 0 375.822 2.825 20 0 GFADRO [NH3+][C@H](Cc1ccccc1)C(=O)N1CCOc2cc(Br)ccc2C1 ZINC000662741580 565383242 /nfs/dbraw/zinc/38/32/42/565383242.db2.gz NVQGSAXTLWCHKG-MRXNPFEDSA-N 1 0 375.266 2.740 20 0 GFADRO CC(C)(C)n1cc(Br)c(C(=O)Nc2cnc3c(c2)C[C@H]([NH3+])CC3)n1 ZINC000662763399 565384336 /nfs/dbraw/zinc/38/43/36/565384336.db2.gz AIUAJJVIRCCMOG-LLVKDONJSA-N 1 0 392.301 2.864 20 0 GFADRO CC[C@H]1CN(C(=O)[C@@H]2CCO[C@H]2c2cncc(Br)c2)CC[C@H]1[NH3+] ZINC000662774198 565384362 /nfs/dbraw/zinc/38/43/62/565384362.db2.gz MEFSDXZIAOIEHL-SRMUXQRQSA-N 1 0 382.302 2.508 20 0 GFADRO Cc1ccc(CCC(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)c(Br)c1 ZINC000620479644 565384712 /nfs/dbraw/zinc/38/47/12/565384712.db2.gz WLJPYJDVYNSLMH-KRWDZBQOSA-N 1 0 395.341 2.748 20 0 GFADRO O=C(CSc1cccc(Br)c1)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000620480370 565385098 /nfs/dbraw/zinc/38/50/98/565385098.db2.gz BPISXLQMJBKTBR-OAHLLOKOSA-N 1 0 399.354 2.599 20 0 GFADRO [NH3+]C[C@@H]1OCC[C@@H]1C(=O)NCC1(c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000662811266 565385830 /nfs/dbraw/zinc/38/58/30/565385830.db2.gz XWCCHVSYZCFJFI-FZMZJTMJSA-N 1 0 376.806 2.870 20 0 GFADRO Cc1c(Br)cncc1C(=O)N1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000662832748 565386806 /nfs/dbraw/zinc/38/68/06/565386806.db2.gz YCTXFTXWMQQMKV-APHBMKBZSA-N 1 0 382.302 2.654 20 0 GFADRO CC(C)([NH3+])c1cc(C(=O)N2CCOC[C@H]2c2cccc(Br)c2)on1 ZINC000662881829 565388650 /nfs/dbraw/zinc/38/86/50/565388650.db2.gz HUMTUMDKOGAAPH-ZDUSSCGKSA-N 1 0 394.269 2.845 20 0 GFADRO [NH3+]CCc1nc(C(=O)N2CCN(c3ccc(Cl)c(Cl)c3)CC2)cs1 ZINC000662858385 565388725 /nfs/dbraw/zinc/38/87/25/565388725.db2.gz XTXQDXCVBFLNSK-UHFFFAOYSA-N 1 0 385.320 2.914 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)c(C)c1C(=O)NCC12CC(C1)C[NH2+]2 ZINC000662924175 565389842 /nfs/dbraw/zinc/38/98/42/565389842.db2.gz ZFFYZOPFUGCCFP-UHFFFAOYSA-N 1 0 389.297 2.733 20 0 GFADRO CC(=O)N[C@H](CC(=O)NCC[C@@H]([NH3+])C(C)C)c1ccc(Br)cc1 ZINC000662924441 565389886 /nfs/dbraw/zinc/38/98/86/565389886.db2.gz BJWFTKKYJHRPDL-HZPDHXFCSA-N 1 0 384.318 2.506 20 0 GFADRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N1CCc2ccc(Cl)c(Cl)c2C1 ZINC000662968786 565391056 /nfs/dbraw/zinc/39/10/56/565391056.db2.gz IFYWCMGBHMWZQZ-HNNXBMFYSA-N 1 0 386.323 2.710 20 0 GFADRO C[C@H](CC(=O)NC[C@H]1CC[N@@H+]1Cc1ccccc1)n1cc(Br)cn1 ZINC000620781773 565396205 /nfs/dbraw/zinc/39/62/05/565396205.db2.gz MKEYJOZBLPAVSC-RHSMWYFYSA-N 1 0 391.313 2.987 20 0 GFADRO Cc1cc(N2CC[C@@H]([NH2+]Cc3ccncc3N)C2=O)ccc1Br ZINC000641747200 565397486 /nfs/dbraw/zinc/39/74/86/565397486.db2.gz FWIVGMXHSVMDKQ-MRXNPFEDSA-N 1 0 375.270 2.630 20 0 GFADRO Ic1cnc(C[NH2+][C@H]2CCCN3CCCC[C@H]23)s1 ZINC000594524205 565398420 /nfs/dbraw/zinc/39/84/20/565398420.db2.gz WZNJRMUGMGRRPK-WDEREUQCSA-N 1 0 377.295 2.854 20 0 GFADRO C[C@@H]([NH2+][C@H]1CCc2c(nnn2C)C1)c1ccccc1I ZINC000594523184 565398540 /nfs/dbraw/zinc/39/85/40/565398540.db2.gz WPKLIMVUAWHELB-MNOVXSKESA-N 1 0 382.249 2.628 20 0 GFADRO Cn1cncc1CC[NH2+]Cc1cc(Br)cc(Br)c1N ZINC000641776145 565398726 /nfs/dbraw/zinc/39/87/26/565398726.db2.gz SYBBSQXVYHUNTJ-UHFFFAOYSA-N 1 0 388.107 2.860 20 0 GFADRO C[C@@H]([NH2+][C@@H]1CCCN(CCN2CCOCC2)C1)c1cccc(Br)c1 ZINC000641788610 565400152 /nfs/dbraw/zinc/40/01/52/565400152.db2.gz TUFHGCNTFHEEPK-VQIMIIECSA-N 1 0 396.373 2.896 20 0 GFADRO C[NH+](C)C[C@@H]1COC2(CCCC2)CN1C(=O)c1ccc(Br)cc1O ZINC000620910035 565400932 /nfs/dbraw/zinc/40/09/32/565400932.db2.gz LYOACVOKJASYIT-CQSZACIVSA-N 1 0 397.313 2.870 20 0 GFADRO C[NH+](C)CCC[C@H]1CN(C(=O)CCc2cccc(Br)c2)CCO1 ZINC000620963416 565402405 /nfs/dbraw/zinc/40/24/05/565402405.db2.gz FPKWEASAWACGFR-KRWDZBQOSA-N 1 0 383.330 2.951 20 0 GFADRO C[NH+](C)CCC[C@H]1CN(C(=O)COc2cc(Cl)ccc2Cl)CCO1 ZINC000620965401 565403125 /nfs/dbraw/zinc/40/31/25/565403125.db2.gz NKFUMPPMYMDNOZ-AWEZNQCLSA-N 1 0 375.296 2.941 20 0 GFADRO C[NH+](C)CCC[C@@H]1CN(C(=O)c2c[nH]nc2-c2ccc(Cl)s2)CCO1 ZINC000620975398 565403264 /nfs/dbraw/zinc/40/32/64/565403264.db2.gz WDYXPEBBVUQURZ-GFCCVEGCSA-N 1 0 382.917 2.974 20 0 GFADRO C[NH+](C)CCC[C@@H]1CN(C(=O)Cc2csc(-c3cccs3)n2)CCO1 ZINC000620965670 565403374 /nfs/dbraw/zinc/40/33/74/565403374.db2.gz SHUDQHILNDOTCK-OAHLLOKOSA-N 1 0 379.551 2.983 20 0 GFADRO C[NH+](C)CCC[C@H]1CN(C(=O)Cc2csc(-c3cccs3)n2)CCO1 ZINC000620965669 565403464 /nfs/dbraw/zinc/40/34/64/565403464.db2.gz SHUDQHILNDOTCK-HNNXBMFYSA-N 1 0 379.551 2.983 20 0 GFADRO CC(C)(COc1ncc(Cl)cc1Cl)NC(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000641978396 565403611 /nfs/dbraw/zinc/40/36/11/565403611.db2.gz DEVUFRJOYHZKSU-LLVKDONJSA-N 1 0 397.253 2.842 20 0 GFADRO CCOc1c(Br)cc(C(=O)N2CC[NH2+][C@H](C(C)C)C2)cc1OC ZINC000621148282 565408132 /nfs/dbraw/zinc/40/81/32/565408132.db2.gz LPLNKQVWDQCKKY-AWEZNQCLSA-N 1 0 385.302 2.926 20 0 GFADRO FC(F)(F)c1cccc(I)c1OC[C@H]1C[NH2+]CCO1 ZINC000594696521 565408171 /nfs/dbraw/zinc/40/81/71/565408171.db2.gz PLGUJUZDJBISQO-MRVPVSSYSA-N 1 0 387.139 2.677 20 0 GFADRO CC(C)[C@H]1CN(C(=O)c2cnn(-c3ccc(Br)cc3)c2)CC[NH2+]1 ZINC000621152477 565408490 /nfs/dbraw/zinc/40/84/90/565408490.db2.gz XQWKJWXCBFNYAU-MRXNPFEDSA-N 1 0 377.286 2.705 20 0 GFADRO O=C(NC1CC[NH+](C[C@@H](O)COc2ccc(Cl)c(Cl)c2)CC1)C1CC1 ZINC000642338361 565411444 /nfs/dbraw/zinc/41/14/44/565411444.db2.gz GJBHVFBKEASIHS-CQSZACIVSA-N 1 0 387.307 2.724 20 0 GFADRO Cc1cc(S(=O)(=O)N(C)[C@H](C[NH3+])C(F)(F)F)c(C)cc1Br ZINC000663310616 565411509 /nfs/dbraw/zinc/41/15/09/565411509.db2.gz ISXNPTWBPZEIBC-LLVKDONJSA-N 1 0 389.237 2.576 20 0 GFADRO NC(=O)[C@@H]([NH2+]C[C@@H]1CCN1Cc1ccccc1)c1cccc(Br)c1 ZINC000663311705 565411523 /nfs/dbraw/zinc/41/15/23/565411523.db2.gz POYJUWRCRGWQLI-ROUUACIJSA-N 1 0 388.309 2.840 20 0 GFADRO Cc1ccc(Br)cc1S(=O)(=O)NCC[N@H+]1CCC[C@@H](C)C1 ZINC000642523544 565413859 /nfs/dbraw/zinc/41/38/59/565413859.db2.gz NGMYNKCYEMDZBW-GFCCVEGCSA-N 1 0 375.332 2.768 20 0 GFADRO COc1ccc(C[N@@H+]2CCCN(c3cc(Br)cnn3)CC2)cc1 ZINC000663364620 565414951 /nfs/dbraw/zinc/41/49/51/565414951.db2.gz SMGIHPDONZIDTE-UHFFFAOYSA-N 1 0 377.286 2.960 20 0 GFADRO COc1cc(C[N@@H+]2C[C@H](C(N)=O)[C@@H](c3ccccc3)C2)c(Br)cn1 ZINC000621301815 565417210 /nfs/dbraw/zinc/41/72/10/565417210.db2.gz IAOONZONOQOLIQ-CABCVRRESA-N 1 0 390.281 2.554 20 0 GFADRO O=S(=O)(N[C@@H]1CC[N@H+](CC2CC2)C1)c1ccc(OC(F)F)c(Cl)c1 ZINC000594769549 565418297 /nfs/dbraw/zinc/41/82/97/565418297.db2.gz JKOOUINEGICKIY-LLVKDONJSA-N 1 0 380.844 2.704 20 0 GFADRO [NH3+][C@H]1CCO[C@H](C2CCN(S(=O)(=O)Cc3cc(Cl)ccc3F)CC2)C1 ZINC000643096546 565420955 /nfs/dbraw/zinc/42/09/55/565420955.db2.gz FJYCEQNQXBPXLJ-RDJZCZTQSA-N 1 0 390.908 2.527 20 0 GFADRO O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000643092624 565421001 /nfs/dbraw/zinc/42/10/01/565421001.db2.gz NUKHLTPKLOZCNO-SWLSCSKDSA-N 1 0 378.416 2.738 20 0 GFADRO CN(C)S(=O)(=O)CC[NH2+][C@@H]1CCCSc2ccc(Br)cc21 ZINC000663448960 565421312 /nfs/dbraw/zinc/42/13/12/565421312.db2.gz MZSGFSGKCVUOSC-CYBMUJFWSA-N 1 0 393.372 2.857 20 0 GFADRO COc1cc[nH+]c(N2CCN(c3cc(OC)ncc3Br)CC2)c1 ZINC000663545939 565425462 /nfs/dbraw/zinc/42/54/62/565425462.db2.gz QQTCHXJGMCYXII-UHFFFAOYSA-N 1 0 379.258 2.583 20 0 GFADRO C[C@@]1(NC(=O)Nc2cc(Br)cnc2OCC(F)(F)F)CC[NH2+]C1 ZINC000663586473 565426988 /nfs/dbraw/zinc/42/69/88/565426988.db2.gz NLTUFEQTYOLXHT-GFCCVEGCSA-N 1 0 397.195 2.659 20 0 GFADRO Cc1nc(C)c(Br)c(N2CCC(OCC[NH+]3CCCC3)CC2)n1 ZINC000663678249 565430556 /nfs/dbraw/zinc/43/05/56/565430556.db2.gz KTNRAPVEKPQBBL-UHFFFAOYSA-N 1 0 383.334 2.937 20 0 GFADRO C[C@@H]([NH2+]Cc1ccn(C)c(=O)c1)c1ccc(Br)cc1OCCCO ZINC000643404683 565432188 /nfs/dbraw/zinc/43/21/88/565432188.db2.gz PAQGFEFZMFQPNQ-CYBMUJFWSA-N 1 0 395.297 2.760 20 0 GFADRO COC[C@]1(C(=O)N[C@H]2C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)CC[NH2+]C1 ZINC000643477161 565434566 /nfs/dbraw/zinc/43/45/66/565434566.db2.gz RZILWDIBUBIPEK-WGBDABJCSA-N 1 0 376.341 2.638 20 0 GFADRO O=C(Nc1nnc(-c2cc(Br)ccc2F)s1)[C@]12C[C@H]1CC[NH2+]2 ZINC000643493160 565434569 /nfs/dbraw/zinc/43/45/69/565434569.db2.gz FIUCDNNYVCELSN-UOWDBTKRSA-N 1 0 383.246 2.797 20 0 GFADRO O=C(CC[C@@H]1CCC[NH2+]C1)N[C@H]1CCN(c2ccccc2Br)C1 ZINC000621647630 565435032 /nfs/dbraw/zinc/43/50/32/565435032.db2.gz LMEUFBKGXSPJGD-GJZGRUSLSA-N 1 0 380.330 2.924 20 0 GFADRO O=C(CC[C@H]1CCC[NH2+]C1)N[C@H]1CCN(c2ccccc2Br)C1 ZINC000621647629 565435045 /nfs/dbraw/zinc/43/50/45/565435045.db2.gz LMEUFBKGXSPJGD-CABCVRRESA-N 1 0 380.330 2.924 20 0 GFADRO [NH3+][C@@H]1CCO[C@@H](C2CCN(C(=O)COc3ccc(Br)cc3)CC2)C1 ZINC000643606038 565435655 /nfs/dbraw/zinc/43/56/55/565435655.db2.gz GTZDKKQCLVEELV-NVXWUHKLSA-N 1 0 397.313 2.573 20 0 GFADRO C[C@H]1CCN(C(=O)C2(c3ccc(Br)cc3)CCOCC2)C[C@@H]1C[NH3+] ZINC000643604178 565435752 /nfs/dbraw/zinc/43/57/52/565435752.db2.gz VUGZHQUXBYRZAL-GJZGRUSLSA-N 1 0 395.341 2.941 20 0 GFADRO OC[C@H]1CCC[N@@H+]1Cc1ccccc1CNc1cc(Br)cnn1 ZINC000663787093 565436103 /nfs/dbraw/zinc/43/61/03/565436103.db2.gz HKSRQROFWMCPPH-MRXNPFEDSA-N 1 0 377.286 2.808 20 0 GFADRO O=C(c1cc2c(cc1Br)OCO2)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000621664740 565436185 /nfs/dbraw/zinc/43/61/85/565436185.db2.gz GGNRSUHDYTVZIN-OAHLLOKOSA-N 1 0 389.249 2.965 20 0 GFADRO [NH3+][C@]12CCC[C@@H]1CN(C(=O)c1cnn(-c3ccc(Br)cc3)c1)C2 ZINC000621695510 565437130 /nfs/dbraw/zinc/43/71/30/565437130.db2.gz WDXPCDDOYUFZEF-DYVFJYSZSA-N 1 0 375.270 2.588 20 0 GFADRO [NH3+][C@]12CCC[C@@H]1CN(C(=O)c1[nH]nc(-c3ccccc3)c1Br)C2 ZINC000621682663 565437298 /nfs/dbraw/zinc/43/72/98/565437298.db2.gz JPZXJGSGWRMAPR-PXAZEXFGSA-N 1 0 375.270 2.793 20 0 GFADRO C[C@@H]1COCC[C@H]1Nc1ncnc(N[C@H]2CCOC[C@H]2C)c1Br ZINC000663841585 565438527 /nfs/dbraw/zinc/43/85/27/565438527.db2.gz HARAPHVDLVDPQG-LPWJVIDDSA-N 1 0 385.306 2.913 20 0 GFADRO COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]C[C@H](CO)Cc1ccc(C)c(Br)c1 ZINC000594958766 565438796 /nfs/dbraw/zinc/43/87/96/565438796.db2.gz OYQODCXGZDLUFL-LCGIIJARSA-N 1 0 384.314 2.696 20 0 GFADRO C[NH2+]C[C@H]1CCCN1C(=O)NCC(F)(F)c1ccc(Br)cc1 ZINC000621850990 565444576 /nfs/dbraw/zinc/44/45/76/565444576.db2.gz JBFNAIFWOFWYBY-CYBMUJFWSA-N 1 0 376.245 2.934 20 0 GFADRO [NH3+]CC1CCN(C(=O)NCC(F)(F)c2ccc(Br)cc2)CC1 ZINC000621851637 565444746 /nfs/dbraw/zinc/44/47/46/565444746.db2.gz ZMVIXZMJRBHHNW-UHFFFAOYSA-N 1 0 376.245 2.921 20 0 GFADRO C[S@](=O)C1(C[NH2+][C@@H]2CCc3ccc(I)cc32)CC1 ZINC000595037579 565444849 /nfs/dbraw/zinc/44/48/49/565444849.db2.gz BOTKSUNPMDEJQW-ACJLOTCBSA-N 1 0 375.275 2.779 20 0 GFADRO [NH3+][C@@H]1CN(C(=O)NCC(F)(F)c2ccc(Br)cc2)CC[C@H]1F ZINC000621850688 565445182 /nfs/dbraw/zinc/44/51/82/565445182.db2.gz ATKPESBQRACDGV-VXGBXAGGSA-N 1 0 380.208 2.622 20 0 GFADRO CO[C@H](C[NH2+][C@H](C)c1ccc(I)cc1)[C@@H]1CCOC1 ZINC000595059947 565446090 /nfs/dbraw/zinc/44/60/90/565446090.db2.gz JCHBTGGHHCYAEK-UXIGCNINSA-N 1 0 375.250 2.993 20 0 GFADRO O[C@@]1(CC[NH2+][C@H]2CCc3ccc(I)cc32)CCCOC1 ZINC000595046297 565446237 /nfs/dbraw/zinc/44/62/37/565446237.db2.gz KMHQJOBPXWHEMB-JKSUJKDBSA-N 1 0 387.261 2.800 20 0 GFADRO Brc1cccc(N2CC[C@H](C[NH2+]C[C@H]3CNc4ccnn4C3)C2)c1 ZINC000595155446 565452394 /nfs/dbraw/zinc/45/23/94/565452394.db2.gz ZQRZYSHSECWZHJ-CABCVRRESA-N 1 0 390.329 2.803 20 0 GFADRO O=C(N[C@H]1CC[N@@H+](C2CC2)C1)N1CCOC[C@H]1c1ccc(Br)cc1 ZINC000664131128 565453435 /nfs/dbraw/zinc/45/34/35/565453435.db2.gz YFVNOFAZICWUIA-RDJZCZTQSA-N 1 0 394.313 2.769 20 0 GFADRO CC1(C)C[NH2+][C@H]1C(=O)N1CCC(C(=O)Nc2cccc(Br)c2)CC1 ZINC000643985691 565453886 /nfs/dbraw/zinc/45/38/86/565453886.db2.gz MSOAEQQNZPRVJT-HNNXBMFYSA-N 1 0 394.313 2.624 20 0 GFADRO CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)[C@H]1C[NH2+]CCC1(F)F ZINC000644008636 565454914 /nfs/dbraw/zinc/45/49/14/565454914.db2.gz NDIALJKCCTZJPC-SNVBAGLBSA-N 1 0 380.222 2.635 20 0 GFADRO CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)[C@@H]1[NH2+]CC1(C)C ZINC000644008544 565454973 /nfs/dbraw/zinc/45/49/73/565454973.db2.gz CEWPNRGEUKWYEL-ZDUSSCGKSA-N 1 0 377.794 2.754 20 0 GFADRO CC1(C)C[NH2+][C@@H]1C(=O)NCC1(c2ccc(Br)cc2)CCOCC1 ZINC000644016935 565454982 /nfs/dbraw/zinc/45/49/82/565454982.db2.gz OGCVJBPBPQLGGU-OAHLLOKOSA-N 1 0 381.314 2.612 20 0 GFADRO COc1ccc(Br)c(CC(=O)NC[C@H]([NH3+])c2ccccc2OC)c1 ZINC000644090844 565457801 /nfs/dbraw/zinc/45/78/01/565457801.db2.gz IQBWKKFOAAWLJO-INIZCTEOSA-N 1 0 393.281 2.825 20 0 GFADRO Cc1c(C(=O)N2CC[NH2+]CC2(C)C)cnn1-c1ccc(Br)cc1 ZINC000644074968 565458052 /nfs/dbraw/zinc/45/80/52/565458052.db2.gz NEELEPTZPUMNLQ-UHFFFAOYSA-N 1 0 377.286 2.767 20 0 GFADRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1cc2c(cc1Br)OCO2 ZINC000622048031 565459127 /nfs/dbraw/zinc/45/91/27/565459127.db2.gz GFILOXPNOBMYDM-NWDGAFQWSA-N 1 0 381.270 2.877 20 0 GFADRO CN(C[C@H]1CC[C@H](C[NH3+])CC1)S(=O)(=O)c1ccccc1Br ZINC000644167294 565461226 /nfs/dbraw/zinc/46/12/26/565461226.db2.gz BHWPSSVFPAGRHU-JOCQHMNTSA-N 1 0 375.332 2.835 20 0 GFADRO C[N@@H+]1C[C@@H]2CCN(S(=O)(=O)c3ccc4nc(C(C)(C)C)sc4c3)[C@@H]2C1 ZINC000644303767 565470821 /nfs/dbraw/zinc/47/08/21/565470821.db2.gz XHWAQMDUWKFOCJ-SWLSCSKDSA-N 1 0 379.551 2.918 20 0 GFADRO O=C(Cc1csc(-c2ccc(Cl)cc2Cl)n1)N1CCOC2(C[NH2+]C2)C1 ZINC000664726137 565475707 /nfs/dbraw/zinc/47/57/07/565475707.db2.gz WTMMXAACFYMDSR-UHFFFAOYSA-N 1 0 398.315 2.860 20 0 GFADRO Ic1cccc(C[C@@H]2CC[N@H+](CCc3cn[nH]n3)C2)c1 ZINC000595507641 565480004 /nfs/dbraw/zinc/48/00/04/565480004.db2.gz YDDZXNVXBDOWTQ-ZDUSSCGKSA-N 1 0 382.249 2.516 20 0 GFADRO COC(=O)CCN1CC[C@@H]([N@@H+]2CC[C@H](Sc3cccc(Cl)c3)C2)C1=O ZINC000595513274 565480265 /nfs/dbraw/zinc/48/02/65/565480265.db2.gz ZEYDRFOAHBDDCK-JKSUJKDBSA-N 1 0 382.913 2.670 20 0 GFADRO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)NCc1ccsc1Br ZINC000664838407 565481191 /nfs/dbraw/zinc/48/11/91/565481191.db2.gz SZTWCMAKQQVDJY-LBPRGKRZSA-N 1 0 391.379 2.582 20 0 GFADRO COC(=O)[C@@H]1C[N@H+](Cc2cn(C)cn2)C[C@H]1c1ccc(Br)cc1 ZINC000595550067 565482919 /nfs/dbraw/zinc/48/29/19/565482919.db2.gz OQAUZPFKMKUCNZ-JKSUJKDBSA-N 1 0 378.270 2.571 20 0 GFADRO C[NH+]1CCN(c2ccc(-c3noc(-c4cc(Br)co4)n3)nc2)CC1 ZINC000664943253 565485714 /nfs/dbraw/zinc/48/57/14/565485714.db2.gz LRDJBDKTZRHBHZ-UHFFFAOYSA-N 1 0 390.241 2.906 20 0 GFADRO Cc1cc(OC[C@H](O)C[NH2+]CCC2CS(=O)(=O)C2)c(C(C)C)cc1Cl ZINC000644630182 565486066 /nfs/dbraw/zinc/48/60/66/565486066.db2.gz JOEXWLMVQNZYSN-OAHLLOKOSA-N 1 0 389.945 2.536 20 0 GFADRO CN(CC1C[NH+](C)C1)C(=O)Nc1nnc(SCc2ccc(F)cc2)s1 ZINC000665189780 565492408 /nfs/dbraw/zinc/49/24/08/565492408.db2.gz SGFVVKOXVMDDJC-UHFFFAOYSA-N 1 0 381.502 2.995 20 0 GFADRO O=C(N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1)c1ncc(Br)s1 ZINC000623073046 565492761 /nfs/dbraw/zinc/49/27/61/565492761.db2.gz APLLOBOHIAHGSM-RYUDHWBXSA-N 1 0 384.274 2.920 20 0 GFADRO [NH3+]CCN(CCc1ccccc1)C(=O)c1nc(C2CC2)ncc1Br ZINC000623069560 565492970 /nfs/dbraw/zinc/49/29/70/565492970.db2.gz ILBLJBTZNDMBTL-UHFFFAOYSA-N 1 0 389.297 2.760 20 0 GFADRO COC(=O)[C@H](c1cccc(Cl)c1Cl)N(C)C[C@H](O)C[N@H+](C)C1CC1 ZINC000595849000 565494118 /nfs/dbraw/zinc/49/41/18/565494118.db2.gz LDFPXULZVPOCMI-WBMJQRKESA-N 1 0 375.296 2.594 20 0 GFADRO CC(C)[N@H+](C[C@H](O)COc1ccc(Cl)c(Cl)c1)C[C@H]1CCC(=O)N1 ZINC000665262599 565494417 /nfs/dbraw/zinc/49/44/17/565494417.db2.gz MILCLPKTSMTPLO-OLZOCXBDSA-N 1 0 375.296 2.722 20 0 GFADRO COC(=O)[C@@H](c1ccc(Cl)c(Cl)c1)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000595862442 565495250 /nfs/dbraw/zinc/49/52/50/565495250.db2.gz BVBMKPWEIHOMSW-RHSMWYFYSA-N 1 0 387.307 2.739 20 0 GFADRO CCOC(=O)CC1([NH2+]CCOc2ccccc2Br)CCOCC1 ZINC000595878551 565496350 /nfs/dbraw/zinc/49/63/50/565496350.db2.gz SDAFGQWJMMZMHI-UHFFFAOYSA-N 1 0 386.286 2.920 20 0 GFADRO COC(=O)[C@@H](c1ccccc1Br)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000595904723 565497496 /nfs/dbraw/zinc/49/74/96/565497496.db2.gz BUKXXBMMFCCTIA-RHSMWYFYSA-N 1 0 399.329 2.706 20 0 GFADRO CSCC[C@@H]([NH3+])C(=O)NCc1cc(Cl)ccc1I ZINC000595938060 565500110 /nfs/dbraw/zinc/50/01/10/565500110.db2.gz KWKYMUKSPGKICJ-LLVKDONJSA-N 1 0 398.697 2.641 20 0 GFADRO CSCC[C@H]([NH3+])C(=O)N1CCc2[nH]c3ccc(Br)cc3c2C1 ZINC000595970474 565503644 /nfs/dbraw/zinc/50/36/44/565503644.db2.gz WUELKMFVBOAWFQ-ZDUSSCGKSA-N 1 0 382.327 2.896 20 0 GFADRO COC(=O)c1sc2c(c1Br)CN(C(=O)C1(C[NH3+])CCCC1)C2 ZINC000595985799 565503713 /nfs/dbraw/zinc/50/37/13/565503713.db2.gz BOFQTWXRYOPVNS-UHFFFAOYSA-N 1 0 387.299 2.659 20 0 GFADRO C[C@]1(NC(=O)c2cc(I)cc(C(F)(F)F)c2)CC[NH2+]C1 ZINC000595990668 565504752 /nfs/dbraw/zinc/50/47/52/565504752.db2.gz BCRRDFCXMALYOT-LBPRGKRZSA-N 1 0 398.166 2.792 20 0 GFADRO O[C@@H](C[NH2+]Cc1cc(Cl)cc(Cl)c1OCCN1CCOCC1)C1CC1 ZINC000623418247 565509412 /nfs/dbraw/zinc/50/94/12/565509412.db2.gz ISVMIWWHXINZBN-KRWDZBQOSA-N 1 0 389.323 2.565 20 0 GFADRO CCS(=O)(=O)C[C@@H](C)[NH2+]Cc1c[nH]nc1-c1ccc(Br)s1 ZINC000623418340 565509850 /nfs/dbraw/zinc/50/98/50/565509850.db2.gz MLZULUUEFKELOT-SECBINFHSA-N 1 0 392.344 2.814 20 0 GFADRO OCC[C@@]1(C[NH2+]Cc2c[nH]nc2-c2ccc(Br)s2)CCOC1 ZINC000623448780 565510716 /nfs/dbraw/zinc/51/07/16/565510716.db2.gz CNANXDIOALOWNT-HNNXBMFYSA-N 1 0 386.315 2.779 20 0 GFADRO CCOC(=O)[C@]1(C)CCC[C@H]1[NH2+][C@H](C(N)=O)c1cccc(Br)c1 ZINC000596051080 565510649 /nfs/dbraw/zinc/51/06/49/565510649.db2.gz LLVVQZOFQOTPFU-JKIFEVAISA-N 1 0 383.286 2.687 20 0 GFADRO C[N@@H+]1CCC[C@@]2(CCN(S(=O)(=O)c3ccc(C(F)(F)F)c(F)c3)C2)C1 ZINC000645092946 565511728 /nfs/dbraw/zinc/51/17/28/565511728.db2.gz RALOWXGDQVMXFS-OAHLLOKOSA-N 1 0 380.407 2.951 20 0 GFADRO C[N@@H+]1CCC[C@@H](NC(=O)N2CCO[C@@H](c3cccc(Br)c3)C2)C1 ZINC000623543118 565517447 /nfs/dbraw/zinc/51/74/47/565517447.db2.gz WUOBLGBUPRGBCO-HZPDHXFCSA-N 1 0 382.302 2.626 20 0 GFADRO COc1ccc(NC(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)c(Br)c1 ZINC000665951958 565518549 /nfs/dbraw/zinc/51/85/49/565518549.db2.gz FBPVINGZNPQGQK-ZDUSSCGKSA-N 1 0 398.301 2.521 20 0 GFADRO CCCOc1ccc(Br)cc1C[NH2+]CCCN1CCC[C@H]1C(N)=O ZINC000623617685 565520216 /nfs/dbraw/zinc/52/02/16/565520216.db2.gz JKZQYBVNNVBTQU-INIZCTEOSA-N 1 0 398.345 2.667 20 0 GFADRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)NCc1cc(Br)cnc1OC ZINC000623598253 565520515 /nfs/dbraw/zinc/52/05/15/565520515.db2.gz WQCGGEXPPCVBBW-CQSZACIVSA-N 1 0 385.306 2.526 20 0 GFADRO COc1ncc(Br)cc1CNC(=O)NC[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000623601813 565520545 /nfs/dbraw/zinc/52/05/45/565520545.db2.gz RAKKYCBTRXYOIK-QWHCGFSZSA-N 1 0 399.333 2.772 20 0 GFADRO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@H]1OCCc2ccccc21 ZINC000666100625 565523607 /nfs/dbraw/zinc/52/36/07/565523607.db2.gz PAQMSILMLBXRBP-SUMWQHHRSA-N 1 0 377.282 2.903 20 0 GFADRO CC(C)[C@H](C[NH2+][C@@H](C)Cn1cc(Br)ccc1=O)c1ccnn1C ZINC000666131746 565524025 /nfs/dbraw/zinc/52/40/25/565524025.db2.gz XGBXORXTAFKBOT-ZFWWWQNUSA-N 1 0 381.318 2.762 20 0 GFADRO CN1CCOC[C@H]1C[NH2+]Cc1ccc(OC(F)(F)F)c(Br)c1 ZINC000623712287 565527012 /nfs/dbraw/zinc/52/70/12/565527012.db2.gz AHAIZRSQOPIFNK-LLVKDONJSA-N 1 0 383.208 2.768 20 0 GFADRO C[NH+](C)C1CCN(S(=O)(=O)Cc2ccc(Br)cc2Cl)CC1 ZINC000645465349 565528505 /nfs/dbraw/zinc/52/85/05/565528505.db2.gz CMSNOXVGRDUILS-UHFFFAOYSA-N 1 0 395.750 2.958 20 0 GFADRO Cc1cc(Br)c(C[NH2+][C@@H]2CCOC[C@H]2O)cc1Br ZINC000623768442 565529242 /nfs/dbraw/zinc/52/92/42/565529242.db2.gz WQUPVTHQWCOABV-CHWSQXEVSA-N 1 0 379.092 2.759 20 0 GFADRO Fc1ccc(C[NH2+]C[C@H]2CN(Cc3ccncc3)CCO2)cc1Br ZINC000623780521 565530431 /nfs/dbraw/zinc/53/04/31/565530431.db2.gz NRXYDDDLIDMLFM-INIZCTEOSA-N 1 0 394.288 2.974 20 0 GFADRO CO[C@@H](c1ccc(Br)cc1)[C@H](C)NC(=O)NC[C@H]1CCC[N@@H+]1C ZINC000623848636 565532602 /nfs/dbraw/zinc/53/26/02/565532602.db2.gz DILYHNLQOMGVGK-APHBMKBZSA-N 1 0 384.318 2.919 20 0 GFADRO CC[NH+]1CCN(CCNc2nccc(-c3ccc(Br)cc3)n2)CC1 ZINC000623848298 565533194 /nfs/dbraw/zinc/53/31/94/565533194.db2.gz OLCZLCGGHQZWHC-UHFFFAOYSA-N 1 0 390.329 2.956 20 0 GFADRO Cc1ccc(Br)cc1[C@@H](C)[NH2+]CCCN1CCCS1(=O)=O ZINC000623911593 565534811 /nfs/dbraw/zinc/53/48/11/565534811.db2.gz GXRBZKCIORIZCA-CYBMUJFWSA-N 1 0 375.332 2.834 20 0 GFADRO Cc1ccc(Br)cc1[C@@H](C)[NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000623923438 565535213 /nfs/dbraw/zinc/53/52/13/565535213.db2.gz ATQLNVITGNEPHH-OLZOCXBDSA-N 1 0 375.332 2.690 20 0 GFADRO O=C(Cc1c(Cl)cccc1Br)NCCCC[NH+]1CCOCC1 ZINC000666469855 565539044 /nfs/dbraw/zinc/53/90/44/565539044.db2.gz OWMGMYUOGWMVMH-UHFFFAOYSA-N 1 0 389.721 2.874 20 0 GFADRO Cn1nccc1[C@H](CO)[NH2+][C@@H](c1cccc(Br)c1)C1CCOCC1 ZINC000624021592 565540249 /nfs/dbraw/zinc/54/02/49/565540249.db2.gz PQQAMABNIQAQST-FUHWJXTLSA-N 1 0 394.313 2.974 20 0 GFADRO C[C@H]1C[C@H]([NH2+]CCCN2CCC[C@H]2C(N)=O)c2cccc(Br)c21 ZINC000624085310 565542277 /nfs/dbraw/zinc/54/22/77/565542277.db2.gz MHGYLIBMQJXZSN-RCBQFDQVSA-N 1 0 380.330 2.927 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCN(c2ccc3nncn3n2)C1)c1ccccc1Br ZINC000624113710 565543609 /nfs/dbraw/zinc/54/36/09/565543609.db2.gz LMUSPYFVHXXETH-QWHCGFSZSA-N 1 0 387.285 2.816 20 0 GFADRO Brc1cccc2c1CC[C@H]2[NH2+][C@@H]1CCN(c2ccc3nncn3n2)C1 ZINC000624115853 565543972 /nfs/dbraw/zinc/54/39/72/565543972.db2.gz DROIFIWCOWUQQJ-MLGOLLRUSA-N 1 0 399.296 2.743 20 0 GFADRO Brc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCN(c3ccc4nncn4n3)C1)CC2 ZINC000624117719 565544193 /nfs/dbraw/zinc/54/41/93/565544193.db2.gz VIIOTZFPBDJTPF-GDBMZVCRSA-N 1 0 399.296 2.743 20 0 GFADRO Cn1cc(Br)c(=O)c(NC(=O)NCc2cccc(C[NH+](C)C)c2)c1 ZINC000666687859 565547979 /nfs/dbraw/zinc/54/79/79/565547979.db2.gz AFDNIPCITRZXPK-UHFFFAOYSA-N 1 0 393.285 2.531 20 0 GFADRO CC[C@H]1C[N@H+](C)CCN1C(=O)Nc1ccc(I)cc1F ZINC000597023516 565548402 /nfs/dbraw/zinc/54/84/02/565548402.db2.gz XGCPDPXRZVNQQL-NSHDSACASA-N 1 0 391.228 2.988 20 0 GFADRO CCN(CC[NH3+])S(=O)(=O)c1ccc(Br)c(Cl)c1Cl ZINC000624381880 565554931 /nfs/dbraw/zinc/55/49/31/565554931.db2.gz FYEANRPHEOSDMN-UHFFFAOYSA-N 1 0 376.103 2.725 20 0 GFADRO [NH3+]C[C@@H]1CN(S(=O)(=O)CCc2ccccc2Cl)CC[C@@H]1C(F)(F)F ZINC000624392464 565555936 /nfs/dbraw/zinc/55/59/36/565555936.db2.gz RTSRZECXNVSCCK-OLZOCXBDSA-N 1 0 384.851 2.671 20 0 GFADRO C[C@@H]1[NH2+]CC[C@H]1NS(=O)(=O)c1c(Cl)cc(Br)cc1Cl ZINC000624415697 565556745 /nfs/dbraw/zinc/55/67/45/565556745.db2.gz WLYWKNHWOKXBPQ-QUBYGPBYSA-N 1 0 388.114 2.785 20 0 GFADRO CS[C@H]1CN(C(=O)c2cc(N(C)C)cc(C(F)(F)F)c2)C[C@@H]1[NH+](C)C ZINC000597447920 565561770 /nfs/dbraw/zinc/56/17/70/565561770.db2.gz XYMCTOPLWIJXSD-GJZGRUSLSA-N 1 0 375.460 2.889 20 0 GFADRO C[C@@H](CCc1ccc(I)cc1)NC(=O)C1([NH+](C)C)CC1 ZINC000597602904 565567055 /nfs/dbraw/zinc/56/70/55/565567055.db2.gz ZBUNFQLWKROMEL-LBPRGKRZSA-N 1 0 386.277 2.823 20 0 GFADRO C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1cccc(F)c1I ZINC000597698116 565570951 /nfs/dbraw/zinc/57/09/51/565570951.db2.gz GCCYNOHKUPVBOZ-CABZTGNLSA-N 1 0 376.213 2.595 20 0 GFADRO C[NH+](C)CCC[C@@H]1CN(C(=O)Nc2nc(CC(F)(F)F)cs2)CCO1 ZINC000667158703 565573429 /nfs/dbraw/zinc/57/34/29/565573429.db2.gz GKTRHYMITSNTEO-GFCCVEGCSA-N 1 0 380.436 2.822 20 0 GFADRO O=C(Nc1nnc(CC(F)(F)F)s1)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000667231684 565579106 /nfs/dbraw/zinc/57/91/06/565579106.db2.gz XWVWZQOGRSBVDH-WDEREUQCSA-N 1 0 377.436 2.886 20 0 GFADRO CN(CCC[NH+](C)C)CCNC(=O)Nc1cc(Cl)ccc1OC(F)F ZINC000667274749 565580342 /nfs/dbraw/zinc/58/03/42/565580342.db2.gz ROZCMFBXPRQTSW-UHFFFAOYSA-N 1 0 378.851 2.946 20 0 GFADRO C[NH+](C)C[C@@]1(O)CCCN(C(=O)c2cc(Cl)cc(Br)c2F)C1 ZINC000646023998 565582387 /nfs/dbraw/zinc/58/23/87/565582387.db2.gz GOWJVVQFTGQETR-HNNXBMFYSA-N 1 0 393.684 2.770 20 0 GFADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)NCc2csc(C(F)(F)F)c2)C1 ZINC000624929660 565584273 /nfs/dbraw/zinc/58/42/73/565584273.db2.gz XKAOSWARNKCTNI-CYBMUJFWSA-N 1 0 379.448 2.923 20 0 GFADRO Cc1nnc(CC(=O)N(CC[NH+](C)C)Cc2ccc(Br)cc2)s1 ZINC000667427879 565586308 /nfs/dbraw/zinc/58/63/08/565586308.db2.gz SQJLTVLCMAGPMQ-UHFFFAOYSA-N 1 0 397.342 2.742 20 0 GFADRO C[C@@H](CCNC(=O)c1cc(F)c(F)cc1I)[NH+](C)C ZINC000597991630 565586939 /nfs/dbraw/zinc/58/69/39/565586939.db2.gz FZXKRCGGUXQOLS-QMMMGPOBSA-N 1 0 382.192 2.639 20 0 GFADRO CCN(C(=O)c1cc(F)ccc1I)[C@H]1CC[N@H+](CC)C1 ZINC000598039870 565589741 /nfs/dbraw/zinc/58/97/41/565589741.db2.gz AXTVDMDPCLINOP-LBPRGKRZSA-N 1 0 390.240 2.987 20 0 GFADRO CCN(C(=O)c1ccc(I)c(O)c1)[C@@H]1CC[N@H+](CC)C1 ZINC000598039369 565589897 /nfs/dbraw/zinc/58/98/97/565589897.db2.gz JAGHPKVSAZYDKZ-GFCCVEGCSA-N 1 0 388.249 2.553 20 0 GFADRO COCCN(Cc1sccc1Br)C(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000646214901 565590719 /nfs/dbraw/zinc/59/07/19/565590719.db2.gz XKXSXLKZVAUHFR-MNOVXSKESA-N 1 0 378.336 2.794 20 0 GFADRO [NH3+]Cc1ccc(CNC(=O)N2CCC(n3cc(Br)cn3)CC2)cc1 ZINC000646230666 565591805 /nfs/dbraw/zinc/59/18/05/565591805.db2.gz IXXQARUHGSNQLV-UHFFFAOYSA-N 1 0 392.301 2.651 20 0 GFADRO O=C(CCCCc1ccc(Br)cc1)N[C@H](CO)C[NH+]1CCCC1 ZINC000646223977 565591840 /nfs/dbraw/zinc/59/18/40/565591840.db2.gz NIZKIQADIUEAHR-KRWDZBQOSA-N 1 0 383.330 2.735 20 0 GFADRO CCC[N@H+](CC)CCNS(=O)(=O)c1c(OC)cccc1OC(F)(F)F ZINC000625037582 565591999 /nfs/dbraw/zinc/59/19/99/565591999.db2.gz GQMADIYBLBBQLY-UHFFFAOYSA-N 1 0 384.420 2.604 20 0 GFADRO [NH3+]Cc1ccc(CNC(=O)N2CCN(Cc3ccc(Cl)s3)CC2)cc1 ZINC000646232026 565592159 /nfs/dbraw/zinc/59/21/59/565592159.db2.gz GHLUXJJLWBLEDE-UHFFFAOYSA-N 1 0 378.929 2.888 20 0 GFADRO O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000667538813 565593192 /nfs/dbraw/zinc/59/31/92/565593192.db2.gz ODKHUAOMMIHSFA-RNCFNFMXSA-N 1 0 375.778 2.508 20 0 GFADRO CCOc1c(Cl)cc(NC(=O)C(=O)N2CC[C@@H]([NH3+])[C@@H](CC)C2)cc1Cl ZINC000667546586 565593360 /nfs/dbraw/zinc/59/33/60/565593360.db2.gz MRNKCOAEORDEOJ-IINYFYTJSA-N 1 0 388.295 2.916 20 0 GFADRO C[NH+]1CCC2(CC1)CN(C(=O)Nc1ccc(Br)c(F)c1)CCO2 ZINC000646287191 565594442 /nfs/dbraw/zinc/59/44/42/565594442.db2.gz ZONYRNMLJHNTJZ-UHFFFAOYSA-N 1 0 386.265 2.917 20 0 GFADRO CC[C@@H]1CN(C(=O)C(=O)Nc2ccc(Cl)c(Br)c2)CC[C@H]1[NH3+] ZINC000667549909 565594807 /nfs/dbraw/zinc/59/48/07/565594807.db2.gz AYLXQYXXFFGGSK-NOZJJQNGSA-N 1 0 388.693 2.627 20 0 GFADRO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)C(=O)Nc1cccc(Cl)c1SC(C)C ZINC000667585513 565595343 /nfs/dbraw/zinc/59/53/43/565595343.db2.gz HTUXAKGWLDJWGF-RYUDHWBXSA-N 1 0 387.908 2.937 20 0 GFADRO C[C@@H]1COCC[N@@H+]1C1CCN(C(=O)COc2ccc(Br)cc2)CC1 ZINC000646319677 565596884 /nfs/dbraw/zinc/59/68/84/565596884.db2.gz YYOKAVGZOHLSJH-CQSZACIVSA-N 1 0 397.313 2.540 20 0 GFADRO CC(C)[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000646362011 565599668 /nfs/dbraw/zinc/59/96/68/565599668.db2.gz HRKLMNSBSUSIHI-QAPCUYQASA-N 1 0 383.945 2.758 20 0 GFADRO COCC[N@@H+]1CC[C@H](NC(=O)Nc2ccc(-c3ccc(Cl)s3)nn2)C1 ZINC000667681907 565600196 /nfs/dbraw/zinc/60/01/96/565600196.db2.gz UYAFFGBKYVKETG-NSHDSACASA-N 1 0 381.889 2.701 20 0 GFADRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)Nc1cc(Cl)c(Cl)cc1F ZINC000646393684 565601067 /nfs/dbraw/zinc/60/10/67/565601067.db2.gz STYWSHDZOYXRRH-VIFPVBQESA-N 1 0 377.247 2.716 20 0 GFADRO Cc1c(Br)cncc1CN1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000667683610 565601212 /nfs/dbraw/zinc/60/12/12/565601212.db2.gz WINSWNKPFLZKBD-KSSFIOAISA-N 1 0 381.362 2.610 20 0 GFADRO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)c1ncc(Br)cc1Br ZINC000646476574 565604723 /nfs/dbraw/zinc/60/47/23/565604723.db2.gz UKSUTQZEJNGAIY-LDYMZIIASA-N 1 0 391.107 2.771 20 0 GFADRO O=C(Nc1cccc(Br)c1F)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000667916916 565612890 /nfs/dbraw/zinc/61/28/90/565612890.db2.gz RXAIBOOCKFXYRT-LBPRGKRZSA-N 1 0 386.265 2.963 20 0 GFADRO CCCN(C(=O)[C@H]1CCN(c2cc(Cl)ccc2Cl)C1=O)[C@@H]1CC[NH2+]C1 ZINC000646698850 565614700 /nfs/dbraw/zinc/61/47/00/565614700.db2.gz BCGIYMBDUACLBJ-ZIAGYGMSSA-N 1 0 384.307 2.947 20 0 GFADRO NS(=O)(=O)[C@@H]1CCCN(Cc2coc(-c3cc(Cl)cc(Cl)c3)n2)C1 ZINC000625283713 565616005 /nfs/dbraw/zinc/61/60/05/565616005.db2.gz OWGWOALKPFNBCD-CQSZACIVSA-N 1 0 390.292 2.901 20 0 GFADRO CN(C[C@@H](O)C(F)(F)F)[C@H]1CCc2cc(Br)ccc2NC1=O ZINC000625281829 565616649 /nfs/dbraw/zinc/61/66/49/565616649.db2.gz PEVYOAICPYSAEP-NWDGAFQWSA-N 1 0 381.192 2.557 20 0 GFADRO CC(C)OC[C@H]1CN([C@H]2CCc3cc(Br)ccc3NC2=O)CCO1 ZINC000625330615 565620499 /nfs/dbraw/zinc/62/04/99/565620499.db2.gz PIWBHBZQSGWJIO-WBVHZDCISA-N 1 0 397.313 2.828 20 0 GFADRO Cc1cc(C(=O)N2CCO[C@@H]([C@H](C)[NH3+])C2)nn1-c1ccc(Cl)c(Cl)c1 ZINC000646844003 565622246 /nfs/dbraw/zinc/62/22/46/565622246.db2.gz NGMTXUOKCPCPJH-MEDUHNTESA-N 1 0 383.279 2.676 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CN(C(=O)CCc2nc3cc(Br)ccc3s2)CCO1 ZINC000646841459 565622470 /nfs/dbraw/zinc/62/24/70/565622470.db2.gz XOHWNLMHUMTTEA-GWCFXTLKSA-N 1 0 398.326 2.566 20 0 GFADRO C[C@H]([NH3+])[C@H]1CN(C(=O)COc2ccc3cc(Br)ccc3c2)CCO1 ZINC000646848290 565623275 /nfs/dbraw/zinc/62/32/75/565623275.db2.gz NWXNYBQBVHSEPI-YVEFUNNKSA-N 1 0 393.281 2.556 20 0 GFADRO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)[C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21 ZINC000625379302 565624582 /nfs/dbraw/zinc/62/45/82/565624582.db2.gz APMFEULWPFJJHR-ZYRRHWMLSA-N 1 0 375.310 2.935 20 0 GFADRO COCC[C@H](Cc1cccc(Br)c1)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000646987867 565631402 /nfs/dbraw/zinc/63/14/02/565631402.db2.gz SZNSVKXOYBHRQH-NVXWUHKLSA-N 1 0 383.330 2.903 20 0 GFADRO Cc1c(Br)cncc1CN1CCCC[C@@H]1CCS(C)(=O)=O ZINC000668185892 565631500 /nfs/dbraw/zinc/63/15/00/565631500.db2.gz XEWXVGZYMZKYSO-CQSZACIVSA-N 1 0 375.332 2.942 20 0 GFADRO [NH3+][C@]12CCC[C@@H]1CN(C(=O)CCC[S@@](=O)c1ccc(Br)cc1)C2 ZINC000598667836 565632739 /nfs/dbraw/zinc/63/27/39/565632739.db2.gz MYRDVRFHMJYFLE-GJKYVBSNSA-N 1 0 399.354 2.677 20 0 GFADRO [NH3+][C@@]12CCC[C@@H]1CN(C(=O)c1cc(F)c(F)cc1I)C2 ZINC000598668460 565632973 /nfs/dbraw/zinc/63/29/73/565632973.db2.gz TVIDJAKLIPYJTQ-XLKFXECMSA-N 1 0 392.187 2.523 20 0 GFADRO C[NH+](C)C[C@@H]1CCCCN1C(=O)c1cc(Br)cc2[nH]c(=O)[nH]c21 ZINC000668212515 565634122 /nfs/dbraw/zinc/63/41/22/565634122.db2.gz FTOAKHLNBVXTBS-NSHDSACASA-N 1 0 381.274 2.587 20 0 GFADRO CN(CC1CC[NH+](C)CC1)C(=O)[C@@H]1CCO[C@H]1c1cncc(Br)c1 ZINC000668234750 565634766 /nfs/dbraw/zinc/63/47/66/565634766.db2.gz SVRXTCWCKSGQCL-SJORKVTESA-N 1 0 396.329 2.722 20 0 GFADRO Cc1cc(COc2ccc(C(=O)N[C@@H](C)[C@@H](C)[NH3+])cc2Br)no1 ZINC000647067998 565635735 /nfs/dbraw/zinc/63/57/35/565635735.db2.gz IXSVRRVCUZPVAA-MNOVXSKESA-N 1 0 382.258 2.790 20 0 GFADRO COC[C@H]([NH2+][C@H]1CCc2cc(Br)ccc2NC1=O)C1CCOCC1 ZINC000625531089 565636319 /nfs/dbraw/zinc/63/63/19/565636319.db2.gz ONUJDVJDFRNJSQ-IRXDYDNUSA-N 1 0 397.313 2.734 20 0 GFADRO COCCN(CC[NH+](C)C)C(=O)c1cc(-c2ccc(Br)cc2)no1 ZINC000668309183 565638700 /nfs/dbraw/zinc/63/87/00/565638700.db2.gz UQAQTFMRNWPZOY-UHFFFAOYSA-N 1 0 396.285 2.754 20 0 GFADRO C[N@@H+]1CCC[C@@H](NC(=O)Cc2ccc(Br)c(Br)c2)C1 ZINC000668330642 565640779 /nfs/dbraw/zinc/64/07/79/565640779.db2.gz WJBMBUYWRGEIDB-LLVKDONJSA-N 1 0 390.119 2.965 20 0 GFADRO Cc1cc(Cl)ccc1OCCC[NH2+]Cc1ccc(S(N)(=O)=O)cc1F ZINC000647175228 565644297 /nfs/dbraw/zinc/64/42/97/565644297.db2.gz DMSIFGXSGRIGQM-UHFFFAOYSA-N 1 0 386.876 2.994 20 0 GFADRO OCCCN1CCC[C@H]([NH2+]Cc2cc(OC(F)F)ccc2Br)C1 ZINC000647213892 565646057 /nfs/dbraw/zinc/64/60/57/565646057.db2.gz DHMFDTJIDRVXGT-ZDUSSCGKSA-N 1 0 393.272 2.987 20 0 GFADRO CC(C)[NH2+]CCCNS(=O)(=O)c1cc(Cl)c(Br)cc1F ZINC000647212046 565646376 /nfs/dbraw/zinc/64/63/76/565646376.db2.gz ZWZNUHMGEDAXBZ-UHFFFAOYSA-N 1 0 387.702 2.908 20 0 GFADRO Cc1c(Br)cccc1S(=O)(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647238068 565648207 /nfs/dbraw/zinc/64/82/07/565648207.db2.gz DGRQSNOARNQXHN-HIFRSBDPSA-N 1 0 387.343 2.910 20 0 GFADRO Cc1cc(Br)ccc1S(=O)(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000647238955 565648618 /nfs/dbraw/zinc/64/86/18/565648618.db2.gz ZQWKTEVEVWTTCU-UKRRQHHQSA-N 1 0 387.343 2.910 20 0 GFADRO [NH3+][C@H]1CCC[C@H](NS(=O)(=O)Cc2cc(Cl)ccc2Br)C1 ZINC000647259812 565649336 /nfs/dbraw/zinc/64/93/36/565649336.db2.gz ZBULUGUMKTVZFR-RYUDHWBXSA-N 1 0 381.723 2.792 20 0 GFADRO CC(C)(C)c1nc2ccc(S(=O)(=O)N3CC[C@H]4CC[NH2+][C@@H]4C3)cc2s1 ZINC000647263777 565650403 /nfs/dbraw/zinc/65/04/03/565650403.db2.gz BKWZTCJLNUNNNN-IUODEOHRSA-N 1 0 379.551 2.966 20 0 GFADRO CC[C@@H]1CN(S(=O)(=O)c2cc(Cl)ccc2O[C@@H](C)COC)CC[C@@H]1[NH3+] ZINC000647268384 565651607 /nfs/dbraw/zinc/65/16/07/565651607.db2.gz AWVDFCMWGJQHOK-GUTXKFCHSA-N 1 0 390.933 2.502 20 0 GFADRO O=S(=O)(c1cnccc1C(F)(F)F)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647307458 565655062 /nfs/dbraw/zinc/65/50/62/565655062.db2.gz AOQNMYWTRCWTKQ-QWHCGFSZSA-N 1 0 377.432 2.501 20 0 GFADRO O=S(=O)(c1cnccc1C(F)(F)F)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647307459 565655662 /nfs/dbraw/zinc/65/56/62/565655662.db2.gz AOQNMYWTRCWTKQ-STQMWFEESA-N 1 0 377.432 2.501 20 0 GFADRO C[C@@H]([NH2+]CCCS(=O)(=O)N(C)C)c1cc(F)c(Br)cc1F ZINC000625752040 565657255 /nfs/dbraw/zinc/65/72/55/565657255.db2.gz PXQSOQIJKSZRPE-SECBINFHSA-N 1 0 385.274 2.659 20 0 GFADRO CC[NH+]1CCN([C@H](C)CNC(=O)c2c(Cl)cccc2Br)CC1 ZINC000668674147 565660615 /nfs/dbraw/zinc/66/06/15/565660615.db2.gz HEIULVFXAXJQDQ-GFCCVEGCSA-N 1 0 388.737 2.858 20 0 GFADRO OC[C@@]1([NH2+]C[C@@H](O)Cc2ccccc2)CCc2cc(Br)ccc2C1 ZINC000625797367 565660620 /nfs/dbraw/zinc/66/06/20/565660620.db2.gz UWMAGVLUJDFIFZ-VQTJNVASSA-N 1 0 390.321 2.862 20 0 GFADRO OC[C@@]1([NH2+]CCn2cc(Cl)cn2)CCc2cc(Br)ccc2C1 ZINC000625797769 565660634 /nfs/dbraw/zinc/66/06/34/565660634.db2.gz ZHJSDZJFJCWMKD-MRXNPFEDSA-N 1 0 384.705 2.809 20 0 GFADRO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)Nc1cccc(Cl)c1SCC(F)F ZINC000647494234 565661686 /nfs/dbraw/zinc/66/16/86/565661686.db2.gz IPHGATWXFYHOOF-IUCAKERBSA-N 1 0 379.860 2.878 20 0 GFADRO COc1cc(Br)c(NC(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)cc1OC ZINC000625851863 565662269 /nfs/dbraw/zinc/66/22/69/565662269.db2.gz CGTIJKJXVGXIEL-CALCHBBNSA-N 1 0 398.301 2.930 20 0 GFADRO O[C@H](C[NH2+][C@H]1CCCC[C@@H]1O)COc1ccc(Cl)cc1Br ZINC000647515579 565662555 /nfs/dbraw/zinc/66/25/55/565662555.db2.gz MAGCGLJHXBQNCE-XBFCOCLRSA-N 1 0 378.694 2.735 20 0 GFADRO CCOc1c(Br)cc(Cl)cc1NC(=O)NCCOCC[NH2+]C ZINC000625841229 565662560 /nfs/dbraw/zinc/66/25/60/565662560.db2.gz FLEKLFRORNCWLE-UHFFFAOYSA-N 1 0 394.697 2.859 20 0 GFADRO Cc1ccccc1C[C@@H](CO)[NH2+]C[C@@H](O)COc1ccc(Br)cc1 ZINC000647525256 565662741 /nfs/dbraw/zinc/66/27/41/565662741.db2.gz ITEKILROLBQPRE-ZWKOTPCHSA-N 1 0 394.309 2.690 20 0 GFADRO OC[C@H](Cc1ccccc1)[NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000647522585 565662943 /nfs/dbraw/zinc/66/29/43/565662943.db2.gz SVJOIOOYTKNGLI-DLBZAZTESA-N 1 0 398.272 2.521 20 0 GFADRO CCCOc1c(Br)cc(CN2CCO[C@@H]([C@@H](C)[NH3+])C2)cc1OC ZINC000647508680 565662981 /nfs/dbraw/zinc/66/29/81/565662981.db2.gz XPCKLHHYFAUHQK-MLGOLLRUSA-N 1 0 387.318 2.795 20 0 GFADRO O[C@@H](C[NH2+]C[C@@H](O)C1CCC1)COc1ccc(Cl)cc1Br ZINC000647537016 565664033 /nfs/dbraw/zinc/66/40/33/565664033.db2.gz AGXCPZWAYMLRTN-GXTWGEPZSA-N 1 0 378.694 2.593 20 0 GFADRO OC[C@@H](C[NH2+]C[C@@H](O)Cc1ccc(F)cc1)Cc1cccc(Br)c1 ZINC000647535052 565664172 /nfs/dbraw/zinc/66/41/72/565664172.db2.gz COBXAFZTRWQVIR-APWZRJJASA-N 1 0 396.300 2.932 20 0 GFADRO C[C@@H]1CN(C(=O)C[NH2+][C@@H](CN(C)C)c2ccc(Cl)c(Cl)c2)C[C@@H](C)O1 ZINC000625983507 565668463 /nfs/dbraw/zinc/66/84/63/565668463.db2.gz RUJXJGXTOIAOMS-XNJGSVPQSA-N 1 0 388.339 2.822 20 0 GFADRO C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+]1C[C@@H]2CCC[C@]2(CO)C1 ZINC000626013277 565670620 /nfs/dbraw/zinc/67/06/20/565670620.db2.gz ZPCHEUUCYVEMMV-SIXWZSSISA-N 1 0 395.341 2.890 20 0 GFADRO Cc1cc(C(=O)NC[C@@H]2C[N@@H+]3CCN2CCC3)cc(Cl)c1Br ZINC000647679125 565670774 /nfs/dbraw/zinc/67/07/74/565670774.db2.gz PIXZWURDTRBBKX-CYBMUJFWSA-N 1 0 386.721 2.531 20 0 GFADRO Oc1cccc2c1CC[N@@H+](C[C@H](O)COc1ccc(Br)cc1)C2 ZINC000626025274 565671049 /nfs/dbraw/zinc/67/10/49/565671049.db2.gz PPJWEORWCFTCLU-HNNXBMFYSA-N 1 0 378.266 2.953 20 0 GFADRO COc1cc(Br)ccc1C(=O)N1CCC([N@@H+]2CCOC[C@@H]2C)CC1 ZINC000647765243 565676009 /nfs/dbraw/zinc/67/60/09/565676009.db2.gz JRWXYJXWWGPNIM-ZDUSSCGKSA-N 1 0 397.313 2.783 20 0 GFADRO C[C@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)N1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000647860599 565679438 /nfs/dbraw/zinc/67/94/38/565679438.db2.gz OFRBAZBTPGXROC-IMSIIYSGSA-N 1 0 379.810 2.734 20 0 GFADRO C[N@@H+]1CCC[C@H]1[C@@H]1COCCN1C(=O)CCc1cccc(Br)c1 ZINC000647824024 565679973 /nfs/dbraw/zinc/67/99/73/565679973.db2.gz RIQZHDZIJWHCRX-IRXDYDNUSA-N 1 0 381.314 2.703 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)[C@@H]2CCO[C@H]2c2cncc(Br)c2)CC[N@@H+]1C ZINC000669184387 565680982 /nfs/dbraw/zinc/68/09/82/565680982.db2.gz YRHIRJAAFVGKOT-MPESAESLSA-N 1 0 382.302 2.521 20 0 GFADRO COC(=O)c1ccc(CN2CCC([NH+]3CCOCC3)CC2)c(Br)c1 ZINC000599472421 565682140 /nfs/dbraw/zinc/68/21/40/565682140.db2.gz VWAFROHCAJMVSJ-UHFFFAOYSA-N 1 0 397.313 2.532 20 0 GFADRO C[C@@H](CNC(=O)[C@H]1CCc2nc[nH]c2C1)Oc1cccc(Br)c1 ZINC000669314294 565684705 /nfs/dbraw/zinc/68/47/05/565684705.db2.gz GUWLZAINEFUBHH-RYUDHWBXSA-N 1 0 378.270 2.861 20 0 GFADRO Cc1nn(C)c(NC(=O)NC[C@@H](c2ccsc2)[NH+](C)C)c1Br ZINC000647984270 565685912 /nfs/dbraw/zinc/68/59/12/565685912.db2.gz OQBIQGBRFFTLJT-NSHDSACASA-N 1 0 386.319 2.977 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CN(C(=O)NCC2(c3ccc(Br)cc3)CCC2)CCO1 ZINC000669403441 565686737 /nfs/dbraw/zinc/68/67/37/565686737.db2.gz FAJFWBOSZGURFA-CJNGLKHVSA-N 1 0 396.329 2.628 20 0 GFADRO C[C@H](CCc1ccc(Br)cc1)NC(=O)N1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000669405232 565688023 /nfs/dbraw/zinc/68/80/23/565688023.db2.gz DRJCWGUFPUDLGE-WWGRRREGSA-N 1 0 384.318 2.528 20 0 GFADRO Brc1cc(CN2CC[C@H](Nc3ncccn3)C2)cc2c1OCO2 ZINC000648049569 565688799 /nfs/dbraw/zinc/68/87/99/565688799.db2.gz MQZSHMMWBUZCGC-LBPRGKRZSA-N 1 0 377.242 2.654 20 0 GFADRO CC1([NH3+])CCN(C(=O)N[C@@H]2CCN(c3ccccc3Br)C2)CC1 ZINC000669475984 565690303 /nfs/dbraw/zinc/69/03/03/565690303.db2.gz DTEACQDQLAKMOS-CYBMUJFWSA-N 1 0 381.318 2.551 20 0 GFADRO O=C(NCc1nc(-c2cccc(Br)c2)no1)[C@@H]1CCCCC[NH2+]1 ZINC000648174430 565692026 /nfs/dbraw/zinc/69/20/26/565692026.db2.gz SEXXEKFGTSHWAL-ZDUSSCGKSA-N 1 0 379.258 2.648 20 0 GFADRO Cn1nc2cc(Br)ccc2c1C(=O)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000648176784 565692173 /nfs/dbraw/zinc/69/21/73/565692173.db2.gz MWFQMZXGJXENEK-LRDDRELGSA-N 1 0 391.313 2.940 20 0 GFADRO CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000669551771 565692817 /nfs/dbraw/zinc/69/28/17/565692817.db2.gz OUODQWSONNDMQY-MAZHCROVSA-N 1 0 384.318 2.966 20 0 GFADRO COC(=O)c1cc(Br)ccc1NC(=O)N1CC[NH2+]C[C@H]1C(C)C ZINC000599602603 565692930 /nfs/dbraw/zinc/69/29/30/565692930.db2.gz MRFMBQQGEYCNOE-AWEZNQCLSA-N 1 0 384.274 2.697 20 0 GFADRO COc1cc(Br)ccc1CNC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000669565612 565693282 /nfs/dbraw/zinc/69/32/82/565693282.db2.gz HTFDXSINTNMLHK-BETUJISGSA-N 1 0 382.302 2.599 20 0 GFADRO CC1(OCC(=O)N2CCCC[C@@H]2Cc2cccc(Br)c2)C[NH2+]C1 ZINC000648179607 565693727 /nfs/dbraw/zinc/69/37/27/565693727.db2.gz JGZCUFFJLMGZPZ-MRXNPFEDSA-N 1 0 381.314 2.751 20 0 GFADRO CN(C)C[C@H]([NH2+]CC(=O)NC(=O)NC(C)(C)C)c1ccc(Cl)c(Cl)c1 ZINC000599626355 565694008 /nfs/dbraw/zinc/69/40/08/565694008.db2.gz DRHMRLRHBQNMQZ-AWEZNQCLSA-N 1 0 389.327 2.810 20 0 GFADRO C[C@H](NC(=O)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1)c1ncc(Br)cn1 ZINC000669591097 565694375 /nfs/dbraw/zinc/69/43/75/565694375.db2.gz IWSHQJZBNVJCSK-IHRRRGAJSA-N 1 0 396.333 2.721 20 0 GFADRO COC(=O)CN(C)C(=O)CC[N@@H+]1CCC[C@H]1c1ccc(Br)cc1C ZINC000599636064 565695329 /nfs/dbraw/zinc/69/53/29/565695329.db2.gz MPXFUTWCZURIJC-INIZCTEOSA-N 1 0 397.313 2.916 20 0 GFADRO C[NH+](C)CCn1cc(NC(=O)Cc2c(F)ccc(Br)c2F)cn1 ZINC000669649056 565696709 /nfs/dbraw/zinc/69/67/09/565696709.db2.gz UQQPDBIUCKLFSI-UHFFFAOYSA-N 1 0 387.228 2.667 20 0 GFADRO Cc1cc(Br)c(F)c(C(=O)N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)c1 ZINC000626591751 565701945 /nfs/dbraw/zinc/70/19/45/565701945.db2.gz AJPNXQNIYKUWCR-LBPRGKRZSA-N 1 0 387.293 2.814 20 0 GFADRO Cn1c(-c2ccc(Br)cc2)nnc1N1CC[C@H]([NH+]2CCCC2)C1 ZINC000669786247 565702604 /nfs/dbraw/zinc/70/26/04/565702604.db2.gz CLPUTEMTCRCIOU-HNNXBMFYSA-N 1 0 376.302 2.919 20 0 GFADRO Cn1nc2cc(Br)ccc2c1C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000648329262 565703785 /nfs/dbraw/zinc/70/37/85/565703785.db2.gz FZXKLGLSAVIGCW-WBMJQRKESA-N 1 0 391.313 2.892 20 0 GFADRO C[C@@H](CC(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1)n1cc(Br)cn1 ZINC000648337775 565704894 /nfs/dbraw/zinc/70/48/94/565704894.db2.gz QTILSIWSAJSQCL-ZFWWWQNUSA-N 1 0 383.334 2.787 20 0 GFADRO CCN(CC[NH3+])C(=O)N[C@@H](C)CCc1ccc(I)cc1 ZINC000599915601 565705736 /nfs/dbraw/zinc/70/57/36/565705736.db2.gz ATFGJINHDKDWFW-LBPRGKRZSA-N 1 0 389.281 2.603 20 0 GFADRO CCN(C(=O)Cc1cccc(I)c1)C1CC[NH+](C)CC1 ZINC000599986531 565708839 /nfs/dbraw/zinc/70/88/39/565708839.db2.gz WUEHKJGABMVPFZ-UHFFFAOYSA-N 1 0 386.277 2.776 20 0 GFADRO CC[NH+](CC)CC[C@H](CO)NC(=O)[C@H]1[C@@H]2c3cccc(Br)c3C[C@H]12 ZINC000626810458 565711814 /nfs/dbraw/zinc/71/18/14/565711814.db2.gz DRRPYGQJTJXAJT-UOAMXJAYSA-N 1 0 395.341 2.544 20 0 GFADRO O=C(Nc1cc(Cl)ccc1C(F)(F)F)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000626850281 565713123 /nfs/dbraw/zinc/71/31/23/565713123.db2.gz BYSJJYHXKWDMOJ-GFCCVEGCSA-N 1 0 375.778 2.698 20 0 GFADRO C[C@@H]1CC[C@H](NC(=O)C(=O)Nc2cccc(Cl)c2SCC(F)F)C[NH2+]1 ZINC000626891273 565714262 /nfs/dbraw/zinc/71/42/62/565714262.db2.gz ZJOQVRIZHBAVPD-ZJUUUORDSA-N 1 0 391.871 2.892 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)Nc2cc(Cl)ccc2Cl)CC[C@@H]1C(F)(F)F ZINC000626861301 565714290 /nfs/dbraw/zinc/71/42/90/565714290.db2.gz NISBTWYQWDXMMD-SCZZXKLOSA-N 1 0 398.212 2.918 20 0 GFADRO CC(C)(C)N1CC[C@H]([NH2+]CCCS(N)(=O)=O)[C@H]1c1ccc(Cl)c(F)c1 ZINC000670091576 565715055 /nfs/dbraw/zinc/71/50/55/565715055.db2.gz PTRIDNLNIQPZCH-JKSUJKDBSA-N 1 0 391.940 2.661 20 0 GFADRO CCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[NH+](C2CCC2)CC1 ZINC000670092038 565715442 /nfs/dbraw/zinc/71/54/42/565715442.db2.gz RTGSSDJCTAKIJK-UHFFFAOYSA-N 1 0 379.306 2.730 20 0 GFADRO C[C@@H]1CC[C@H](NC(=O)NC[C@H]2CCN(c3cccc(Br)c3)C2)C[NH2+]1 ZINC000626948708 565716131 /nfs/dbraw/zinc/71/61/31/565716131.db2.gz KYVKDLQDSKUDNU-FMKPAKJESA-N 1 0 395.345 2.715 20 0 GFADRO C[NH2+]CCOCCN(C)C(=O)NCC1(c2ccc(Br)cc2)CCC1 ZINC000626946056 565716309 /nfs/dbraw/zinc/71/63/09/565716309.db2.gz QJWKQIBVSRXVDU-UHFFFAOYSA-N 1 0 398.345 2.748 20 0 GFADRO CCOC(=O)CC1([NH2+]Cc2ncc(Br)cc2F)CCOCC1 ZINC000600175272 565716683 /nfs/dbraw/zinc/71/66/83/565716683.db2.gz STLMUHFZLKKXNG-UHFFFAOYSA-N 1 0 375.238 2.575 20 0 GFADRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@@H](C)[C@H](OC)c1ccc(Br)cc1 ZINC000627010243 565719165 /nfs/dbraw/zinc/71/91/65/565719165.db2.gz XQDKAQLTZCJCGY-KSYCFECVSA-N 1 0 384.318 2.965 20 0 GFADRO C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)N[C@@H]1C[C@H]1c1ccc(Br)cc1)C2 ZINC000627026049 565720006 /nfs/dbraw/zinc/72/00/06/565720006.db2.gz MFSMAXYNVABNQC-CIRFHOKZSA-N 1 0 378.314 2.946 20 0 GFADRO C[NH2+]CCOCCNC(=O)N[C@@H]1c2cccc(Br)c2CC1(C)C ZINC000627043864 565720653 /nfs/dbraw/zinc/72/06/53/565720653.db2.gz YTOSEYLJQOONDL-OAHLLOKOSA-N 1 0 384.318 2.608 20 0 GFADRO COc1ncc(Br)cc1CNC(=O)NCC1([NH3+])CCCCCC1 ZINC000627064179 565721068 /nfs/dbraw/zinc/72/10/68/565721068.db2.gz WDOAVZGGWRYFMV-UHFFFAOYSA-N 1 0 385.306 2.704 20 0 GFADRO C[C@H](Sc1cc(Cl)ccc1Cl)C(=O)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000670447283 565723643 /nfs/dbraw/zinc/72/36/43/565723643.db2.gz PSKBMKHEBUYJOH-JSGCOSHPSA-N 1 0 388.364 2.980 20 0 GFADRO C[C@@H](CC(=O)NC[C@H](Cc1ccccc1)[NH+](C)C)n1cc(Br)cn1 ZINC000648719144 565723942 /nfs/dbraw/zinc/72/39/42/565723942.db2.gz ZPPSZGCPSKKOQM-YOEHRIQHSA-N 1 0 393.329 2.886 20 0 GFADRO C[N@@H+]1CCCC[C@H](CNC(=O)c2ccc(F)c(I)c2)C1 ZINC000600313806 565724079 /nfs/dbraw/zinc/72/40/79/565724079.db2.gz KHXCTFYGFGRZQZ-LLVKDONJSA-N 1 0 390.240 2.892 20 0 GFADRO C[C@@H](C[NH+]1CCCCC1)NC(=O)c1c2ccc(Br)cc2nn1C ZINC000648732233 565724514 /nfs/dbraw/zinc/72/45/14/565724514.db2.gz NXLOXIAXOJMFOM-LBPRGKRZSA-N 1 0 379.302 2.940 20 0 GFADRO C[NH2+]CCOCCNC(=O)N1C[C@H](c2ccc(Br)cc2)C[C@H]1C ZINC000627169168 565725111 /nfs/dbraw/zinc/72/51/11/565725111.db2.gz FJSDYPLRBDIUSG-UKRRQHHQSA-N 1 0 384.318 2.573 20 0 GFADRO C[NH2+]CCOCCNC(=O)N1CCC(c2ccccc2Br)CC1 ZINC000627173897 565725342 /nfs/dbraw/zinc/72/53/42/565725342.db2.gz JIOIFPFWLJJNQV-UHFFFAOYSA-N 1 0 384.318 2.574 20 0 GFADRO C[C@H]1CC[C@@H](NC(=O)NC(C)(C)COc2ncc(Cl)cc2Cl)C[NH2+]1 ZINC000627204782 565725824 /nfs/dbraw/zinc/72/58/24/565725824.db2.gz GFCOTYYXBBRDNX-CMPLNLGQSA-N 1 0 375.300 2.986 20 0 GFADRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCC(Oc2cccc(Br)c2)CC1 ZINC000627241866 565728217 /nfs/dbraw/zinc/72/82/17/565728217.db2.gz KZMHEHQPGCNKRU-BLLLJJGKSA-N 1 0 382.302 2.752 20 0 GFADRO O=C(COc1cc(Cl)c(Cl)cc1Cl)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000627252200 565728333 /nfs/dbraw/zinc/72/83/33/565728333.db2.gz NYYGICLAGPJVKE-QWRGUYRKSA-N 1 0 393.698 2.693 20 0 GFADRO COCCC[N@H+](C)CCNC(=O)c1cc2c(cncc2Br)s1 ZINC000648795942 565729754 /nfs/dbraw/zinc/72/97/54/565729754.db2.gz IBVKSKAJAHFVOR-UHFFFAOYSA-N 1 0 386.315 2.757 20 0 GFADRO Cc1cc2c(o1)c(C(=O)N1CC[C@H]([N@@H+]3CC[C@@H](O)C3)C1)ccc2Br ZINC000627264199 565730004 /nfs/dbraw/zinc/73/00/04/565730004.db2.gz PUCRTIDSINHFDC-QWHCGFSZSA-N 1 0 393.281 2.785 20 0 GFADRO O=C(COc1c(Cl)cc(Cl)cc1Cl)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000627269821 565730781 /nfs/dbraw/zinc/73/07/81/565730781.db2.gz YJTXMOIPPSEWAR-NEPJUHHUSA-N 1 0 393.698 2.693 20 0 GFADRO Cc1cc(C)c(C(=O)N2CC[C@@H]([N@@H+]3CC[C@H](O)C3)C2)c(C)c1Br ZINC000627272717 565731771 /nfs/dbraw/zinc/73/17/71/565731771.db2.gz SXQDUIRJMOKYTC-CABCVRRESA-N 1 0 381.314 2.655 20 0 GFADRO C[C@H](CC(=O)N1CC[N@@H+](C2CCC2)C[C@@H](C)C1)n1cc(Br)cn1 ZINC000648911940 565738559 /nfs/dbraw/zinc/73/85/59/565738559.db2.gz WUXOCROUOIDHIX-ZIAGYGMSSA-N 1 0 383.334 2.930 20 0 GFADRO Cn1nc2cc(Br)ccc2c1C(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000648928296 565739429 /nfs/dbraw/zinc/73/94/29/565739429.db2.gz GKZUMDWHUWXVJP-GFCCVEGCSA-N 1 0 379.302 2.798 20 0 GFADRO Cn1nc2cc(Br)ccc2c1C(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000648928297 565739660 /nfs/dbraw/zinc/73/96/60/565739660.db2.gz GKZUMDWHUWXVJP-LBPRGKRZSA-N 1 0 379.302 2.798 20 0 GFADRO C[NH+](C)Cc1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)s2)cc1F ZINC000649438017 565761094 /nfs/dbraw/zinc/76/10/94/565761094.db2.gz PMJYBXRLAWDDKO-UHFFFAOYSA-N 1 0 384.498 2.637 20 0 GFADRO Cc1ccc(NC(=O)C(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)cc1Br ZINC000627905714 565761177 /nfs/dbraw/zinc/76/11/77/565761177.db2.gz VHYRBJPGUMJXGW-HNNXBMFYSA-N 1 0 394.313 2.829 20 0 GFADRO COC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+][C@H](c1ccc(Br)s1)C1CC1 ZINC000601294264 565774379 /nfs/dbraw/zinc/77/43/79/565774379.db2.gz OQFTUYDZUGDGBO-RVBZMBCESA-N 1 0 389.315 2.618 20 0 GFADRO O=C(CCc1cccc(F)c1Br)N1CCC([NH+]2CCOCC2)CC1 ZINC000628122091 565775126 /nfs/dbraw/zinc/77/51/26/565775126.db2.gz JSYHQNIRBUBBCT-UHFFFAOYSA-N 1 0 399.304 2.844 20 0 GFADRO Cc1cc(CN2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)ncc1Br ZINC000628164253 565777469 /nfs/dbraw/zinc/77/74/69/565777469.db2.gz JUPDTRXNRLMTBW-KRWDZBQOSA-N 1 0 381.362 2.754 20 0 GFADRO CS[C@@H]1CN(C(=O)Cc2csc(CCC(F)(F)F)n2)C[C@@H]1[NH+](C)C ZINC000601378598 565779712 /nfs/dbraw/zinc/77/97/12/565779712.db2.gz CVZXUTMPMLSREU-NWDGAFQWSA-N 1 0 381.489 2.685 20 0 GFADRO CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)NCCc2cc(Cl)cc(Cl)c2)C1 ZINC000671813832 565787633 /nfs/dbraw/zinc/78/76/33/565787633.db2.gz UQAJEXNBZRCJCD-INIZCTEOSA-N 1 0 386.323 2.641 20 0 GFADRO CCC1([NH+]2CCOCC2)CCN(Cc2c(Br)c(C)nn2C)CC1 ZINC000628476336 565790767 /nfs/dbraw/zinc/79/07/67/565790767.db2.gz XCHPPXMTEQOOOH-UHFFFAOYSA-N 1 0 385.350 2.568 20 0 GFADRO C[C@H](NC(=O)C(=O)N(C)Cc1cc(Cl)cc(Cl)c1)C1CC[NH+](C)CC1 ZINC000672011247 565794193 /nfs/dbraw/zinc/79/41/93/565794193.db2.gz RGBTVBSWWZNYIR-LBPRGKRZSA-N 1 0 386.323 2.798 20 0 GFADRO COc1cc(C(=O)NC[C@@H]2CCCC[N@H+](C)C2)cc(OC)c1Br ZINC000628741527 565804582 /nfs/dbraw/zinc/80/45/82/565804582.db2.gz LMEWRGYEUBSOEF-LBPRGKRZSA-N 1 0 385.302 2.928 20 0 GFADRO COc1cc(C(=O)NC[C@H]2CCCC[N@H+](C)C2)cc(Br)c1OC ZINC000628755298 565806224 /nfs/dbraw/zinc/80/62/24/565806224.db2.gz VDHUXIPVQIIHFT-GFCCVEGCSA-N 1 0 385.302 2.928 20 0 GFADRO C[N@@H+]1CCCC[C@@H](CNC(=O)Cc2noc3ccc(Br)cc32)C1 ZINC000628752823 565806781 /nfs/dbraw/zinc/80/67/81/565806781.db2.gz ZOFOTAPKDWNGKQ-LBPRGKRZSA-N 1 0 380.286 2.981 20 0 GFADRO C[NH+](C)CCN1CCN(C(=O)CCCc2cc(Cl)sc2Cl)CC1=O ZINC000650305653 565812723 /nfs/dbraw/zinc/81/27/23/565812723.db2.gz FEVFTSDOXJJSOR-UHFFFAOYSA-N 1 0 392.352 2.610 20 0 GFADRO CC[C@H]1CC[C@H]1[NH2+]CCCNS(=O)(=O)c1ccccc1Br ZINC000672613404 565813049 /nfs/dbraw/zinc/81/30/49/565813049.db2.gz OQQFFCKRZGPVRV-GXTWGEPZSA-N 1 0 375.332 2.896 20 0 GFADRO Cc1cc(C(=O)NCC2CC[NH2+]CC2)c(I)cc1Cl ZINC000602019668 565815572 /nfs/dbraw/zinc/81/55/72/565815572.db2.gz DOIHYSTWNBMPRY-UHFFFAOYSA-N 1 0 392.668 2.982 20 0 GFADRO O=C(CNC(=O)c1ccc(Cl)c(Cl)c1)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000628967681 565817049 /nfs/dbraw/zinc/81/70/49/565817049.db2.gz FDZMZHPIELRJHE-AWEZNQCLSA-N 1 0 384.307 2.856 20 0 GFADRO COC(=O)C[C@H](NC(=O)C1(C[NH+](C)C)CC1)c1ccc(Br)cc1 ZINC000602043168 565817801 /nfs/dbraw/zinc/81/78/01/565817801.db2.gz RLLPFOPHIPUSCC-AWEZNQCLSA-N 1 0 383.286 2.511 20 0 GFADRO Cn1ccnc1[C@H]1CCN(C(=O)c2cnc3ncc(Br)cc3c2)C1 ZINC000672909300 565821670 /nfs/dbraw/zinc/82/16/70/565821670.db2.gz SRFPSUIPEFJJLS-NSHDSACASA-N 1 0 386.253 2.756 20 0 GFADRO CCN(C(=O)C[C@H](n1ccnc1)C(F)(F)F)c1ncc(C(=O)OC)s1 ZINC000602103457 565823343 /nfs/dbraw/zinc/82/33/43/565823343.db2.gz AFVCODYERSBKJZ-JTQLQIEISA-N 1 0 376.360 2.673 20 0 GFADRO NC(=O)[C@@H]([NH2+]C[C@@H]1Cc2ccccc2CO1)c1cccc(Br)c1 ZINC000629250561 565832498 /nfs/dbraw/zinc/83/24/98/565832498.db2.gz XYTOTUNHRUWEDT-IRXDYDNUSA-N 1 0 375.266 2.707 20 0 GFADRO Cc1cc(C(=O)NCC[C@@H]2CC[NH2+]C2)c(I)cc1Cl ZINC000602429171 565847599 /nfs/dbraw/zinc/84/75/99/565847599.db2.gz MWBOAXLETVDCHL-JTQLQIEISA-N 1 0 392.668 2.982 20 0 GFADRO COC(=O)[C@H]1C[NH2+]CCCN1C(=O)c1cc2cc(Br)ccc2s1 ZINC000602490001 565851271 /nfs/dbraw/zinc/85/12/71/565851271.db2.gz BQUYRVOUDDURIF-GFCCVEGCSA-N 1 0 397.294 2.641 20 0 GFADRO COC(=O)[C@H]1CCCC[C@]1(C)[NH2+]Cc1cnn2cc(Br)cnc12 ZINC000602510021 565852760 /nfs/dbraw/zinc/85/27/60/565852760.db2.gz QMIRWDCYDZPKBX-CJNGLKHVSA-N 1 0 381.274 2.703 20 0 GFADRO CCN1CC[NH+](C[C@@H](C)CNc2ccc(-c3ccc(Cl)s3)nn2)CC1 ZINC000651299197 565854333 /nfs/dbraw/zinc/85/43/33/565854333.db2.gz BNKLWOPTFOSPFJ-AWEZNQCLSA-N 1 0 379.961 3.544 20 0 GFADRO CS(=O)(=O)[C@H]1CCC[C@@H]([NH2+]Cc2ccc(I)s2)C1 ZINC000602557152 565855460 /nfs/dbraw/zinc/85/54/60/565855460.db2.gz MWPIZZFIFBCZSG-KOLCDFICSA-N 1 0 399.319 2.798 20 0 GFADRO CC[NH+]1CCN(CCNC(=O)c2cnc(-c3cccc(Cl)c3)s2)CC1 ZINC000651331258 565857552 /nfs/dbraw/zinc/85/75/52/565857552.db2.gz TUVPHRBANLAOHW-UHFFFAOYSA-N 1 0 378.929 2.831 20 0 GFADRO CC[NH+]1CCN(CC(C)(C)Nc2ncnc3cc(Br)sc32)CC1 ZINC000651356137 565860096 /nfs/dbraw/zinc/86/00/96/565860096.db2.gz SRLJNMLAIBKYAH-UHFFFAOYSA-N 1 0 398.374 3.282 20 0 GFADRO O=C1[C@@H](NC[C@H](O)C[NH+]2CCCC2)CCCN1c1ccc(Cl)cc1Cl ZINC000629573410 565860404 /nfs/dbraw/zinc/86/04/04/565860404.db2.gz BIVBUKRJQFGDOZ-HOCLYGCPSA-N 1 0 386.323 2.535 20 0 GFADRO O=C(CCc1ccc(Br)cc1F)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000674131917 565860969 /nfs/dbraw/zinc/86/09/69/565860969.db2.gz JPRQAJAILYNXII-CQSZACIVSA-N 1 0 399.304 2.702 20 0 GFADRO CCCN1C[C@@H](C[NH2+]Cc2ccc(I)s2)CC1=O ZINC000602697356 565863600 /nfs/dbraw/zinc/86/36/00/565863600.db2.gz KKFJYNQBOPQKBR-SNVBAGLBSA-N 1 0 378.279 2.701 20 0 GFADRO [NH3+]C1(CNCc2ccc(OC(F)(F)F)c(Br)c2)CCOCC1 ZINC000629654720 565865213 /nfs/dbraw/zinc/86/52/13/565865213.db2.gz PZVQOWCJCODEIV-UHFFFAOYSA-N 1 0 383.208 2.945 20 0 GFADRO COC1CC[NH+](CCNC(=O)C2(c3cccc(Br)c3)CC2)CC1 ZINC000674310237 565867137 /nfs/dbraw/zinc/86/71/37/565867137.db2.gz XWHBQYZUOSFHAB-UHFFFAOYSA-N 1 0 381.314 2.708 20 0 GFADRO COC1CC[NH+](CCNC(=O)CCCOc2cccc(Br)c2)CC1 ZINC000674309605 565867315 /nfs/dbraw/zinc/86/73/15/565867315.db2.gz CZWVXTMPDNRYGM-UHFFFAOYSA-N 1 0 399.329 2.835 20 0 GFADRO COCC1(CS(=O)(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)CCC1 ZINC000651541816 565870597 /nfs/dbraw/zinc/87/05/97/565870597.db2.gz JILKOIPHELRYHP-INIZCTEOSA-N 1 0 386.583 2.696 20 0 GFADRO Cc1cc(Br)sc1S(=O)(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000651547056 565871625 /nfs/dbraw/zinc/87/16/25/565871625.db2.gz RYOAILULPMJLMF-LLVKDONJSA-N 1 0 379.345 2.678 20 0 GFADRO CCOCCC[N@@H+]1CC[C@H](NS(=O)(=O)c2ccc(Cl)c(F)c2)[C@@H](C)C1 ZINC000651562122 565873061 /nfs/dbraw/zinc/87/30/61/565873061.db2.gz DZHXRYAYAWYPJZ-GUYCJALGSA-N 1 0 392.924 2.894 20 0 GFADRO O=C(Nc1cc(Cl)c(Cl)c(Cl)c1)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000651583134 565874676 /nfs/dbraw/zinc/87/46/76/565874676.db2.gz XIJQVIRVMMTZHA-MRVPVSSYSA-N 1 0 376.671 2.938 20 0 GFADRO O=C(NCC[N@H+]1CC[C@H](O)C1)c1csc(-c2ccc(Cl)c(Cl)c2)n1 ZINC000629912287 565875239 /nfs/dbraw/zinc/87/52/39/565875239.db2.gz CSLSWYDOEDERDW-NSHDSACASA-N 1 0 386.304 2.913 20 0 GFADRO C[NH+](C)C[C@@H]1CN(S(=O)(=O)c2ccc(Cl)c(F)c2)c2ccccc2O1 ZINC000651601604 565877691 /nfs/dbraw/zinc/87/76/91/565877691.db2.gz IZZFHZJLSCKFQH-GFCCVEGCSA-N 1 0 384.860 2.997 20 0 GFADRO C[N@H+](CC(=O)NCc1nc(-c2cccc(Br)c2)no1)C1CCC1 ZINC000629986322 565878485 /nfs/dbraw/zinc/87/84/85/565878485.db2.gz AASOJMHNKINKQK-UHFFFAOYSA-N 1 0 379.258 2.600 20 0 GFADRO C[C@H](C(=O)NC[C@@H](c1cccs1)[NH+](C)C)c1ccc(S(C)(=O)=O)cc1 ZINC000674665317 565880214 /nfs/dbraw/zinc/88/02/14/565880214.db2.gz RCGCIZJCYHZOTM-BBRMVZONSA-N 1 0 380.535 2.674 20 0 GFADRO O[C@H](C[N@H+]1CC=C(c2cccc(Br)c2)CC1)CC1(O)CCOCC1 ZINC000630043182 565880880 /nfs/dbraw/zinc/88/08/80/565880880.db2.gz KCILKLCSOQEHTP-SFHVURJKSA-N 1 0 396.325 2.831 20 0 GFADRO C[C@@H]1C[C@@H](N2CCOCC2)CN1S(=O)(=O)Cc1cc(Cl)sc1Cl ZINC000651702555 565886233 /nfs/dbraw/zinc/88/62/33/565886233.db2.gz YFDAGCBNEHOJOY-ZYHUDNBSSA-N 1 0 399.365 2.680 20 0 GFADRO COCC[N@@H+]1CCC[C@H](NC(=O)CCCc2cccc(Br)c2)C1 ZINC000675454056 565903631 /nfs/dbraw/zinc/90/36/31/565903631.db2.gz DOFNDDKISMNMNW-KRWDZBQOSA-N 1 0 383.330 2.999 20 0 GFADRO C[NH+](C)C[C@@H]1CN(S(=O)(=O)Cc2ccccc2Cl)c2ccccc2O1 ZINC000675469217 565904773 /nfs/dbraw/zinc/90/47/73/565904773.db2.gz IBJLYAMIYUOHSS-OAHLLOKOSA-N 1 0 380.897 2.999 20 0 GFADRO CC(C)([NH3+])CCNC(=O)Nc1cc(F)c(F)cc1I ZINC000603429937 565904807 /nfs/dbraw/zinc/90/48/07/565904807.db2.gz CJVZFMJQUIYNDY-UHFFFAOYSA-N 1 0 383.180 2.818 20 0 GFADRO CCOc1cc(C[NH2+][C@H]2C[C@@H](C(N)=O)C2)cc(Br)c1OC(F)F ZINC000651940440 565906244 /nfs/dbraw/zinc/90/62/44/565906244.db2.gz OOWVEIBZCFQPKS-AOOOYVTPSA-N 1 0 393.228 2.803 20 0 GFADRO O[C@@H]1CC[N@@H+](C2CN(Cc3csc(-c4cccc(Br)c4)n3)C2)C1 ZINC000651978664 565908483 /nfs/dbraw/zinc/90/84/83/565908483.db2.gz YGKGHQBRMNROSP-MRXNPFEDSA-N 1 0 394.338 2.823 20 0 GFADRO Cn1nc(C[NH2+]C[C@H](O)COc2ccccc2Br)c2ccccc21 ZINC000675762964 565914386 /nfs/dbraw/zinc/91/43/86/565914386.db2.gz ABKGFCBNFPIOMX-ZDUSSCGKSA-N 1 0 390.281 2.865 20 0 GFADRO C[C@H]([NH2+]CC(=O)N1CCN(C)CC1)c1ccc(SCC(F)(F)F)cc1 ZINC000675782017 565915028 /nfs/dbraw/zinc/91/50/28/565915028.db2.gz KFIQZIHPUGKAGD-ZDUSSCGKSA-N 1 0 375.460 2.766 20 0 GFADRO C[C@H](CNC(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1)Oc1cccc(Br)c1 ZINC000652160981 565918288 /nfs/dbraw/zinc/91/82/88/565918288.db2.gz CCDCANJPTUIQFW-GLJUWKHASA-N 1 0 396.329 2.987 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCN(S(C)(=O)=O)C1)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000652242463 565919277 /nfs/dbraw/zinc/91/92/77/565919277.db2.gz UZVWZPJOXCBWNY-GMXVVIOVSA-N 1 0 381.325 2.773 20 0 GFADRO CN(C(=O)NCCC1CC[NH2+]CC1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000652321264 565921445 /nfs/dbraw/zinc/92/14/45/565921445.db2.gz ZXEMXSRTZRPZRQ-SJORKVTESA-N 1 0 386.323 2.983 20 0 GFADRO CCO[C@@H]1CN(CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)C[C@H]1C[NH3+] ZINC000652358513 565924463 /nfs/dbraw/zinc/92/44/63/565924463.db2.gz ODACENHFJGOYNM-QMTHXVAHSA-N 1 0 379.810 2.593 20 0 GFADRO Cc1cc(S(=O)(=O)N2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)sc1Cl ZINC000652374188 565925640 /nfs/dbraw/zinc/92/56/40/565925640.db2.gz LFYODYKYBJLYAU-XQQFMLRXSA-N 1 0 378.947 2.617 20 0 GFADRO Cc1cc(S(=O)(=O)N2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)c(Cl)cc1F ZINC000652375704 565925699 /nfs/dbraw/zinc/92/56/99/565925699.db2.gz XWNNSJQKYOPZCG-HEHGZKQESA-N 1 0 390.908 2.695 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(S(=O)(=O)c3c(Cl)cccc3Cl)C2)C1 ZINC000652375615 565925978 /nfs/dbraw/zinc/92/59/78/565925978.db2.gz VNPDFYSOWJHZNP-ZOWXZIJZSA-N 1 0 393.336 2.900 20 0 GFADRO CC(C)Oc1cc(C(=O)NC[C@@H]2CCC[N@@H+]2CCCO)ccc1Br ZINC000652379853 565926630 /nfs/dbraw/zinc/92/66/30/565926630.db2.gz QHJYUXBSIIKPMR-HNNXBMFYSA-N 1 0 399.329 2.813 20 0 GFADRO COc1ccc(Br)c(S(=O)(=O)N2CCC[C@@H](C)[C@H]2CC[NH3+])c1 ZINC000652377367 565926689 /nfs/dbraw/zinc/92/66/89/565926689.db2.gz FTHYSHZWKUFRCI-BXUZGUMPSA-N 1 0 391.331 2.596 20 0 GFADRO COc1cc(C(F)(F)F)cc(S(=O)(=O)N2CCC[C@H](C)[C@@H]2CC[NH3+])c1 ZINC000652377316 565926774 /nfs/dbraw/zinc/92/67/74/565926774.db2.gz DXCNMADXBCXLCO-NHYWBVRUSA-N 1 0 380.432 2.852 20 0 GFADRO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCCN2S(=O)(=O)c2ccc(F)c(Cl)c2)C1 ZINC000652384835 565927578 /nfs/dbraw/zinc/92/75/78/565927578.db2.gz PMFMARPFYLQMAL-XFBWCDHKSA-N 1 0 376.881 2.529 20 0 GFADRO [NH3+]CCC1CCN(S(=O)(=O)Cc2ccc(Br)cc2Cl)CC1 ZINC000652382585 565927658 /nfs/dbraw/zinc/92/76/58/565927658.db2.gz DWEISHJRIVZGFC-UHFFFAOYSA-N 1 0 395.750 2.993 20 0 GFADRO CN(CCc1ccc(Br)cc1)C(=O)c1cnn(CC[NH+](C)C)c1 ZINC000630948546 565928326 /nfs/dbraw/zinc/92/83/26/565928326.db2.gz VOHXBQYGDSKYGB-UHFFFAOYSA-N 1 0 379.302 2.522 20 0 GFADRO CCO[C@@H]1CN(C(=O)Nc2cc(F)cc(Br)c2F)C[C@H]1C[NH3+] ZINC000652600371 565935059 /nfs/dbraw/zinc/93/50/59/565935059.db2.gz CMMUHUNQYMCBRH-PRHODGIISA-N 1 0 378.217 2.555 20 0 GFADRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)Cn2cc(Br)cn2)CC1 ZINC000604713663 565935546 /nfs/dbraw/zinc/93/55/46/565935546.db2.gz ATCOSQUHRIYRFB-AWEZNQCLSA-N 1 0 391.313 2.987 20 0 GFADRO Cc1cc(S(=O)(=O)NCC[NH2+]Cc2ccnc3ccccc23)c(C)s1 ZINC000676418779 565937364 /nfs/dbraw/zinc/93/73/64/565937364.db2.gz QFZULJAVVPVXIZ-UHFFFAOYSA-N 1 0 375.519 2.981 20 0 GFADRO C[C@H](C[NH2+]Cc1cn(C[C@@H]2CCOC2)nn1)Oc1ccc(Br)cc1 ZINC000631080943 565938618 /nfs/dbraw/zinc/93/86/18/565938618.db2.gz CPXDJJIUTDICJU-KGLIPLIRSA-N 1 0 395.301 2.634 20 0 GFADRO OC[C@@H]1CCN(Cc2ccccc2)C[C@@H]1[NH2+]Cc1ccncc1Br ZINC000631075071 565938988 /nfs/dbraw/zinc/93/89/88/565938988.db2.gz AGQSGVAYIWHPIC-HKUYNNGSSA-N 1 0 390.325 2.817 20 0 GFADRO C[C@H](Cc1cc(Br)ccc1F)[NH2+]Cc1cn(C[C@@H]2CCOC2)nn1 ZINC000631104442 565941565 /nfs/dbraw/zinc/94/15/65/565941565.db2.gz DACOKHQDUJLNBC-OLZOCXBDSA-N 1 0 397.292 2.937 20 0 GFADRO NS(=O)(=O)c1cc(C[NH2+]C2CC(OCc3ccccc3)C2)ccc1Cl ZINC000631113451 565941613 /nfs/dbraw/zinc/94/16/13/565941613.db2.gz MKECIEJIBDDYRB-UHFFFAOYSA-N 1 0 380.897 2.825 20 0 GFADRO CC[C@@H]1C[N@H+](C)CCN1C(=O)Nc1cc(Br)cnc1-n1cccn1 ZINC000652904138 565946536 /nfs/dbraw/zinc/94/65/36/565946536.db2.gz RNZHYTYOXTXMCC-CYBMUJFWSA-N 1 0 393.289 2.588 20 0 GFADRO COc1ccc([C@@H]([NH2+]Cc2ccc(Cl)c(S(N)(=O)=O)c2)C2CC2)cn1 ZINC000631185846 565946632 /nfs/dbraw/zinc/94/66/32/565946632.db2.gz PHBQGJABOIEQKD-KRWDZBQOSA-N 1 0 381.885 2.632 20 0 GFADRO Brc1cccc2c1C[C@@H]1[C@@H]([NH2+]Cc3cn(Cc4cccnc4)nn3)[C@H]21 ZINC000631190367 565946679 /nfs/dbraw/zinc/94/66/79/565946679.db2.gz AGSXAUJHXPRTJC-QXAKKESOSA-N 1 0 396.292 2.912 20 0 GFADRO Brc1ccc2c(c1)C[C@@H]1[C@H]2[C@H]1[NH2+]Cc1cn(C[C@@H]2CCOC2)nn1 ZINC000631220262 565949731 /nfs/dbraw/zinc/94/97/31/565949731.db2.gz RGTOQVHSNRKTQT-MJQACMKBSA-N 1 0 389.297 2.505 20 0 GFADRO Cc1nn2c(C[NH2+]C[C@H](C)c3ccc(S(C)(=O)=O)cc3)c(C)nc2s1 ZINC000631268754 565951044 /nfs/dbraw/zinc/95/10/44/565951044.db2.gz ULOZCXHKDBEDHU-NSHDSACASA-N 1 0 378.523 2.704 20 0 GFADRO O=C(Cc1ccc(Br)c(F)c1)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000676874842 565951697 /nfs/dbraw/zinc/95/16/97/565951697.db2.gz RODKGVPBNMNDOM-OAHLLOKOSA-N 1 0 399.304 2.844 20 0 GFADRO COC[C@@H]1C[C@@H](O)CN1c1cc(C)nc(-c2ccc(Br)cc2)n1 ZINC000631326175 565954730 /nfs/dbraw/zinc/95/47/30/565954730.db2.gz HHQAHZTYNYRJGV-LSDHHAIUSA-N 1 0 378.270 2.801 20 0 GFADRO O=C(NC[C@@H]1CCN(c2ccc(Br)cc2)C1)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653112135 565955205 /nfs/dbraw/zinc/95/52/05/565955205.db2.gz NBLXJGIHBRSJJJ-VHSSKADRSA-N 1 0 392.341 2.922 20 0 GFADRO O=C(N[C@@H]1CCN(c2ccc(Br)cc2)C1)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653116828 565955610 /nfs/dbraw/zinc/95/56/10/565955610.db2.gz VFBVUWQKQKRBGL-PVAVHDDUSA-N 1 0 378.314 2.675 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(C(=O)Cc3cccc(Br)c3)C2)C1 ZINC000653188616 565958370 /nfs/dbraw/zinc/95/83/70/565958370.db2.gz MSVSXIMOXNAEMK-OIISXLGYSA-N 1 0 381.314 2.737 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C(=O)NCCC1(C[NH3+])CC1 ZINC000653222180 565959614 /nfs/dbraw/zinc/95/96/14/565959614.db2.gz WFXNYZPOKMPIMV-UHFFFAOYSA-N 1 0 377.286 2.802 20 0 GFADRO [NH3+]CC1(CCNC(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000653218574 565959716 /nfs/dbraw/zinc/95/97/16/565959716.db2.gz AKPMRBVDMSZKCR-HNNXBMFYSA-N 1 0 384.307 2.843 20 0 GFADRO C[N@H+](CCNC(=O)C(=O)Nc1cccc(Cl)c1SCC(F)F)C1CC1 ZINC000606092439 565960325 /nfs/dbraw/zinc/96/03/25/565960325.db2.gz AITGZNPBAKESHV-UHFFFAOYSA-N 1 0 391.871 2.846 20 0 GFADRO C[N@@H+]1CCC[C@H](NC(=O)[C@H](c2cc(Cl)cc(Cl)c2)N2CCOCC2)C1 ZINC000677087611 565960466 /nfs/dbraw/zinc/96/04/66/565960466.db2.gz ZBDAJCACNOEHPZ-IRXDYDNUSA-N 1 0 386.323 2.577 20 0 GFADRO COc1ccc(C(=O)N2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)cc1Br ZINC000653265040 565960662 /nfs/dbraw/zinc/96/06/62/565960662.db2.gz KKKIDCOPQNHGCD-LXZKKBNFSA-N 1 0 397.313 2.959 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2C(=O)Cc2ccccc2Br)C1 ZINC000653265441 565960788 /nfs/dbraw/zinc/96/07/88/565960788.db2.gz PGXHFSGDSQSDJL-OIISXLGYSA-N 1 0 381.314 2.879 20 0 GFADRO COc1ccc(Br)c(C(=O)N2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)c1 ZINC000653267637 565961134 /nfs/dbraw/zinc/96/11/34/565961134.db2.gz UAIASENHZFXMGV-VUCTXSBTSA-N 1 0 397.313 2.959 20 0 GFADRO C[C@H]1C[C@@H]([NH3+])CCN1S(=O)(=O)Cc1ccc(Cl)cc1Br ZINC000653279257 565961760 /nfs/dbraw/zinc/96/17/60/565961760.db2.gz VHYZZVFUWWAEKW-CABZTGNLSA-N 1 0 381.723 2.744 20 0 GFADRO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)c2cc(Br)c3nccn3c2)C1 ZINC000631588007 565963305 /nfs/dbraw/zinc/96/33/05/565963305.db2.gz YVWPSFKMXOVTEZ-CQSZACIVSA-N 1 0 391.313 2.901 20 0 GFADRO CCC[C@@H](CCO)[NH2+][C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000631669780 565966452 /nfs/dbraw/zinc/96/64/52/565966452.db2.gz RSPIFWRYUNIJAZ-JSGCOSHPSA-N 1 0 376.316 2.808 20 0 GFADRO C[C@@H](Cn1ccnc1)NC(=O)N1CCOc2cccc(Br)c2C1 ZINC000653480024 565966696 /nfs/dbraw/zinc/96/66/96/565966696.db2.gz OHASXZOVKMIFNY-LBPRGKRZSA-N 1 0 379.258 2.638 20 0 GFADRO Cc1ccc(C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)c(Br)c1 ZINC000677247686 565967026 /nfs/dbraw/zinc/96/70/26/565967026.db2.gz IMIIWTGEBUVEMB-OAHLLOKOSA-N 1 0 380.330 2.610 20 0 GFADRO CCC(CC)[C@@H](CNC(=O)NCc1n[nH]cc1Br)[NH+]1CCCC1 ZINC000606633699 565968720 /nfs/dbraw/zinc/96/87/20/565968720.db2.gz OMRVQDQPRTYVQX-OAHLLOKOSA-N 1 0 386.338 2.872 20 0 GFADRO O[C@@H](C[NH2+]Cc1cn2cccc(F)c2n1)COc1ccccc1Br ZINC000677320809 565970397 /nfs/dbraw/zinc/97/03/97/565970397.db2.gz ASCKZDDGXMMUHV-ZDUSSCGKSA-N 1 0 394.244 2.765 20 0 GFADRO C[N@@H+]1CCC[C@H](NC(=O)Nc2cnn(-c3ccccc3Br)c2)C1 ZINC000677376802 565972533 /nfs/dbraw/zinc/97/25/33/565972533.db2.gz ZSCYXNLVVFJAPN-LBPRGKRZSA-N 1 0 378.274 2.851 20 0 GFADRO O=S(=O)(C[C@@H]1CCC1(F)F)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000631842767 565978504 /nfs/dbraw/zinc/97/85/04/565978504.db2.gz FNRVNMVTIUDJLF-AWEZNQCLSA-N 1 0 378.510 2.925 20 0 GFADRO O=c1cc(CN2CCC[C@H]([NH+]3CCCC3)C2)nc2ccc(Br)cn12 ZINC000607152627 565979291 /nfs/dbraw/zinc/97/92/91/565979291.db2.gz BEUMAOQDCVCWKK-INIZCTEOSA-N 1 0 391.313 2.517 20 0 GFADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3ccc4cncc(Br)c4n3)CC[C@H]21 ZINC000631882077 565980272 /nfs/dbraw/zinc/98/02/72/565980272.db2.gz QEUFDQZEFYBHBA-CZUORRHYSA-N 1 0 389.297 2.949 20 0 GFADRO OC[C@H]1CCCCC[N@@H+]1C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000653783998 565982021 /nfs/dbraw/zinc/98/20/21/565982021.db2.gz AYDOCXXXRPGPOJ-HUUCEWRRSA-N 1 0 376.266 2.565 20 0 GFADRO C[C@@H](c1ccc(Cl)c(Cl)c1)N(C)S(=O)(=O)N(C)C1CC[NH2+]CC1 ZINC000631914985 565982316 /nfs/dbraw/zinc/98/23/16/565982316.db2.gz AKJQMYOIJDJCLF-NSHDSACASA-N 1 0 380.341 2.915 20 0 GFADRO [NH3+]C[C@@H]1c2ccccc2CCN1S(=O)(=O)c1cscc1Br ZINC000631946480 565985394 /nfs/dbraw/zinc/98/53/94/565985394.db2.gz BOBBVOBTTZCUTN-CYBMUJFWSA-N 1 0 387.324 2.757 20 0 GFADRO Cc1ccc(S(=O)(=O)N2CCOc3ccc(C[NH3+])cc32)c(Br)c1 ZINC000631959552 565986620 /nfs/dbraw/zinc/98/66/20/565986620.db2.gz XBVBXESYVKUCQM-UHFFFAOYSA-N 1 0 397.294 2.804 20 0 GFADRO CCC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2cscc2Br)C1 ZINC000632047704 565994973 /nfs/dbraw/zinc/99/49/73/565994973.db2.gz PVZLTHCCRBUMLC-NSHDSACASA-N 1 0 381.361 2.863 20 0 GFADRO CCOc1ccc(Br)cc1S(=O)(=O)N(C)[C@@H]1CCCN(C)C1 ZINC000608030244 565998643 /nfs/dbraw/zinc/99/86/43/565998643.db2.gz GWHOESXHPGXNAC-CYBMUJFWSA-N 1 0 391.331 2.563 20 0 GFADRO CCC(=O)N1CCC([NH2+]Cc2cc(Br)c(OC)c(OC)c2)CC1 ZINC000608068534 566000857 /nfs/dbraw/zinc/00/08/57/566000857.db2.gz OOJGVFJAHCQGLI-UHFFFAOYSA-N 1 0 385.302 2.957 20 0 GFADRO CC[N@H+](CCNC(=O)N1CCOc2cccc(Br)c2C1)C1CC1 ZINC000654419693 566008343 /nfs/dbraw/zinc/00/83/43/566008343.db2.gz GAPPGNZMNISCQB-UHFFFAOYSA-N 1 0 382.302 2.837 20 0 GFADRO C[C@@H](CNC(=O)N1CCOc2cccc(Br)c2C1)[N@H+](C)C1CC1 ZINC000654429601 566009632 /nfs/dbraw/zinc/00/96/32/566009632.db2.gz RCXSABLWZQWGOC-LBPRGKRZSA-N 1 0 382.302 2.836 20 0 GFADRO C[NH+]1CCC(CCO)(NC(=O)[C@H]2C[C@]2(C)c2cccc(Br)c2)CC1 ZINC000632322741 566021534 /nfs/dbraw/zinc/02/15/34/566021534.db2.gz WQFQWVBZTUKUAA-SJLPKXTDSA-N 1 0 395.341 2.690 20 0 GFADRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1S(=O)(=O)c1cscc1Br ZINC000632337336 566022637 /nfs/dbraw/zinc/02/26/37/566022637.db2.gz XXAZKCWEMDBPRE-PWSUYJOCSA-N 1 0 379.345 2.758 20 0 GFADRO C[C@@H](CC[NH+](C)C)NC(=O)NCCc1ccc(I)s1 ZINC000608892356 566026372 /nfs/dbraw/zinc/02/63/72/566026372.db2.gz BVZODSLHYXXGCR-JTQLQIEISA-N 1 0 395.310 2.535 20 0 GFADRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000654886296 566026767 /nfs/dbraw/zinc/02/67/67/566026767.db2.gz VTMMHYWCKWMJJH-JGZJWPJOSA-N 1 0 377.794 2.754 20 0 GFADRO CCO[C@@H](CC[NH+](C)C)CNC(=O)[C@H](OC)c1ccccc1Br ZINC000654878436 566027417 /nfs/dbraw/zinc/02/74/17/566027417.db2.gz RMZKIOKVKBDTND-XJKSGUPXSA-N 1 0 387.318 2.610 20 0 GFADRO CCN(C1CC[NH+](C)CC1)S(=O)(=O)N(C)Cc1c(F)cccc1Cl ZINC000632408147 566029407 /nfs/dbraw/zinc/02/94/07/566029407.db2.gz VFWYNPJOKOCWLQ-UHFFFAOYSA-N 1 0 377.913 2.572 20 0 GFADRO COC[C@](C)(CO)[NH2+]Cc1cc(Br)c(OC)c(Br)c1 ZINC000679117212 566030092 /nfs/dbraw/zinc/03/00/92/566030092.db2.gz HDLASJWZOUOEHQ-ZDUSSCGKSA-N 1 0 397.107 2.707 20 0 GFADRO Cc1ccc(NC(=O)C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)c(Br)c1 ZINC000654945742 566032147 /nfs/dbraw/zinc/03/21/47/566032147.db2.gz GCSHDTNKHFOMOK-JKSUJKDBSA-N 1 0 394.313 2.829 20 0 GFADRO CC(C)[N@H+](C)CCCNC(=O)c1ccc(I)c(F)c1 ZINC000609164144 566032238 /nfs/dbraw/zinc/03/22/38/566032238.db2.gz YPJIRXALGKQPTF-UHFFFAOYSA-N 1 0 378.229 2.890 20 0 GFADRO C[C@H]1CC[N@H+](CC(=O)Nc2cc(Br)cc(C(=O)N3CCCC3)c2)C1 ZINC000655039523 566036762 /nfs/dbraw/zinc/03/67/62/566036762.db2.gz DAPKVJXBADVTRW-ZDUSSCGKSA-N 1 0 394.313 2.965 20 0 GFADRO C[C@H](C[NH2+][C@@H](c1ccc(Br)cc1)[C@@H]1CCCO1)S(C)(=O)=O ZINC000679357157 566039613 /nfs/dbraw/zinc/03/96/13/566039613.db2.gz XWYWCCVIWIBCAQ-UGFHNGPFSA-N 1 0 376.316 2.692 20 0 GFADRO COC1CC[NH+](CCNS(=O)(=O)Cc2ccc(Cl)cc2Cl)CC1 ZINC000679436280 566042178 /nfs/dbraw/zinc/04/21/78/566042178.db2.gz YELCSFCQDRAQNA-UHFFFAOYSA-N 1 0 381.325 2.524 20 0 GFADRO COc1cc(C[NH2+]C[C@](C)(O)C2CC2)cc(I)c1OC ZINC000609564533 566044719 /nfs/dbraw/zinc/04/47/19/566044719.db2.gz VPLRXRKCBOGMHX-HNNXBMFYSA-N 1 0 391.249 2.559 20 0 GFADRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)CSCc3cccc(Cl)c3)CC2)C1 ZINC000609665168 566049013 /nfs/dbraw/zinc/04/90/13/566049013.db2.gz BKDKDVSSVKGFTK-GOSISDBHSA-N 1 0 381.973 2.812 20 0 GFADRO O=C(CCc1c(Cl)cccc1Cl)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000655460378 566057285 /nfs/dbraw/zinc/05/72/85/566057285.db2.gz MMGOZJWMXRKAGS-AWEZNQCLSA-N 1 0 398.256 2.878 20 0 GFADRO O=C(NCCOc1ncc(C(F)(F)F)cc1Cl)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000655448960 566057494 /nfs/dbraw/zinc/05/74/94/566057494.db2.gz CDRZITRZMFJDGJ-XHDPSFHLSA-N 1 0 377.794 2.639 20 0 GFADRO Cc1c(Br)cccc1CS(=O)(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000655498099 566059788 /nfs/dbraw/zinc/05/97/88/566059788.db2.gz MBLJKASNPQASMD-LLVKDONJSA-N 1 0 375.332 2.660 20 0 GFADRO O=c1cc(C[NH+]2CCC([C@H]3CCOC3)CC2)nc2ccc(Br)cn12 ZINC000680090257 566060859 /nfs/dbraw/zinc/06/08/59/566060859.db2.gz MONTYFZOPYWLCC-AWEZNQCLSA-N 1 0 392.297 2.706 20 0 GFADRO O=S(=O)(c1onc(C2CC2)c1Cl)N1CCCN(c2cc[nH+]cc2)CC1 ZINC000632721885 566060891 /nfs/dbraw/zinc/06/08/91/566060891.db2.gz BFEGZWOMVZNVRS-UHFFFAOYSA-N 1 0 382.873 2.501 20 0 GFADRO [NH3+]C[C@@H](NC(=O)C1(c2ccc(Br)cc2)CCOCC1)C(F)(F)F ZINC000655511323 566062275 /nfs/dbraw/zinc/06/22/75/566062275.db2.gz BEAFSYPEBNZPLB-GFCCVEGCSA-N 1 0 395.219 2.503 20 0 GFADRO Cc1c(C(=O)N[C@@H](C[NH3+])C(F)(F)F)cnn1-c1ccc(Br)cc1 ZINC000655508793 566063038 /nfs/dbraw/zinc/06/30/38/566063038.db2.gz GTKOUHDKVFIJBI-LBPRGKRZSA-N 1 0 391.191 2.563 20 0 GFADRO C[NH+](C)CCn1cc(C(=O)N[C@H]2CSc3ccc(Br)cc32)cn1 ZINC000632785558 566066782 /nfs/dbraw/zinc/06/67/82/566066782.db2.gz CSONVVXSZUSXOH-AWEZNQCLSA-N 1 0 395.326 2.784 20 0 GFADRO O=C(NCC1CC[NH+](C2CC2)CC1)c1ccc2cncc(Br)c2n1 ZINC000632774653 566067025 /nfs/dbraw/zinc/06/70/25/566067025.db2.gz OXMZXTAZULZTHM-UHFFFAOYSA-N 1 0 389.297 2.997 20 0 GFADRO COc1c[nH+]ccc1N1CCN(S(=O)(=O)c2ccc(Cl)c(C)c2)CC1 ZINC000655580836 566069733 /nfs/dbraw/zinc/06/97/33/566069733.db2.gz SBOMSENFYJNMAD-UHFFFAOYSA-N 1 0 381.885 2.563 20 0 GFADRO O=C(c1ccn(-c2cccc(Br)c2)n1)N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000632860513 566071184 /nfs/dbraw/zinc/07/11/84/566071184.db2.gz KZICKKOXDFFWQX-GUYCJALGSA-N 1 0 389.297 2.849 20 0 GFADRO CC(C)[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000632863064 566072518 /nfs/dbraw/zinc/07/25/18/566072518.db2.gz GNBZQMOQFCHIOZ-WOSRLPQWSA-N 1 0 383.945 2.756 20 0 GFADRO C[NH+](C)[C@H]1C[C@@H](CNS(=O)(=O)c2c(Cl)cc(F)cc2Br)C1 ZINC000655632229 566073690 /nfs/dbraw/zinc/07/36/90/566073690.db2.gz HDRFTZHZMJTWMK-WAAGHKOSSA-N 1 0 399.713 2.860 20 0 GFADRO O=C(Nc1cc2c(cc1Br)CCC2)N1CCC([NH2+]CCO)CC1 ZINC000632939840 566075075 /nfs/dbraw/zinc/07/50/75/566075075.db2.gz SWNDRJMMCAWIIH-UHFFFAOYSA-N 1 0 382.302 2.516 20 0 GFADRO C[NH+](C)[C@H]1C[C@@H](CNS(=O)(=O)c2cc(Br)cc3cccnc32)C1 ZINC000655632777 566075116 /nfs/dbraw/zinc/07/51/16/566075116.db2.gz RJUZHTQZGDRYQA-VDISTLRHSA-N 1 0 398.326 2.616 20 0 GFADRO Cc1cc(S(=O)(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)c(F)cc1Br ZINC000655632869 566075321 /nfs/dbraw/zinc/07/53/21/566075321.db2.gz YFJMSYPUQMEVLY-PHIMTYICSA-N 1 0 379.295 2.515 20 0 GFADRO CNC(=O)c1cccc(NC(=O)NC2(C[NH3+])CCCCC2)c1Br ZINC000632947652 566076648 /nfs/dbraw/zinc/07/66/48/566076648.db2.gz ZPNUFHYPZRYZLA-UHFFFAOYSA-N 1 0 383.290 2.592 20 0 GFADRO Cc1ccc([C@H](CNC(=O)NCc2c(Br)cnn2C)[NH+](C)C)cc1 ZINC000632981385 566078586 /nfs/dbraw/zinc/07/85/86/566078586.db2.gz LENOSBDZWZEZAR-HNNXBMFYSA-N 1 0 394.317 2.593 20 0 GFADRO C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)CS1 ZINC000655701479 566083302 /nfs/dbraw/zinc/08/33/02/566083302.db2.gz FWSMVZRAIZZQFF-DJIMGWMZSA-N 1 0 384.567 2.518 20 0 GFADRO CN1CC[NH+]([C@H]2CC[C@@H](NC(=O)[C@H]3SCCc4sccc43)CC2)CC1 ZINC000680841729 566083790 /nfs/dbraw/zinc/08/37/90/566083790.db2.gz ZLHHKHWPEJUKHD-DAYGRLMNSA-N 1 0 379.595 2.753 20 0 GFADRO C[C@H]1CCC[N@H+](CCCCNC(=O)Nc2cn(C)cc(Br)c2=O)C1 ZINC000680846954 566084255 /nfs/dbraw/zinc/08/42/55/566084255.db2.gz DFFMFVFJKKWSAB-ZDUSSCGKSA-N 1 0 399.333 2.781 20 0 GFADRO Cc1nn(-c2ccccc2Br)cc1C[NH2+][C@H](CO)C1CCOCC1 ZINC000655757917 566087153 /nfs/dbraw/zinc/08/71/53/566087153.db2.gz MIGNKUJSPREYFB-QGZVFWFLSA-N 1 0 394.313 2.820 20 0 GFADRO Brc1cccc(N2CC[C@H]([NH2+]C3CCN([C@H]4CCOC4)CC3)C2)c1 ZINC000655761776 566087216 /nfs/dbraw/zinc/08/72/16/566087216.db2.gz PGXBESATWRXCOH-HKUYNNGSSA-N 1 0 394.357 2.871 20 0 GFADRO Cc1nn(-c2cccc(Br)c2)cc1C[NH2+]C[C@H]1CCCNC1=O ZINC000655780499 566088617 /nfs/dbraw/zinc/08/86/17/566088617.db2.gz PWGRPXGVSLQCTM-CYBMUJFWSA-N 1 0 377.286 2.559 20 0 GFADRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)c3ccc4cncc(Br)c4n3)C2)C1 ZINC000633206405 566089730 /nfs/dbraw/zinc/08/97/30/566089730.db2.gz ORFXNSJNEJRNIP-GOSISDBHSA-N 1 0 389.297 2.950 20 0 GFADRO C[C@@H]1CN(C(=O)c2ccc3cncc(Br)c3n2)CC[N@@H+](C2CC2)C1 ZINC000633259985 566091648 /nfs/dbraw/zinc/09/16/48/566091648.db2.gz SEKMUPLUTXSIDS-LBPRGKRZSA-N 1 0 389.297 2.949 20 0 GFADRO C[NH+](C)CCn1cc(C(=O)NC/C=C/c2ccc(Br)cc2)cn1 ZINC000633288203 566094231 /nfs/dbraw/zinc/09/42/31/566094231.db2.gz OAFPWHRBRZRAFD-ONEGZZNKSA-N 1 0 377.286 2.650 20 0 GFADRO C[C@H](NC(=O)CCn1cc(Br)cn1)[C@@H](c1ccccc1)[NH+](C)C ZINC000681145108 566095024 /nfs/dbraw/zinc/09/50/24/566095024.db2.gz CVAMQKRVKCAMHL-GUYCJALGSA-N 1 0 379.302 2.843 20 0 GFADRO COc1ccc([C@@H](C)NC(=O)N[C@H](C[NH3+])C(F)(F)F)cc1Br ZINC000655913838 566095513 /nfs/dbraw/zinc/09/55/13/566095513.db2.gz VOZMEMGOVFEXQH-RDDDGLTNSA-N 1 0 384.196 2.708 20 0 GFADRO [NH3+]C[C@@H](NC(=O)N1CCc2c(F)ccc(Br)c2C1)C(F)(F)F ZINC000655925522 566096969 /nfs/dbraw/zinc/09/69/69/566096969.db2.gz CHIQEBKNISXPKX-LLVKDONJSA-N 1 0 384.171 2.546 20 0 GFADRO O=C(NCc1ccsc1C(F)(F)F)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000633377924 566099310 /nfs/dbraw/zinc/09/93/10/566099310.db2.gz XTYDNOKYEBKNSI-CYBMUJFWSA-N 1 0 377.432 2.819 20 0 GFADRO O=C(NCCCc1c(Cl)cccc1Cl)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000655972493 566100092 /nfs/dbraw/zinc/10/00/92/566100092.db2.gz FWZFAIUWTISHPM-CQSZACIVSA-N 1 0 385.339 2.615 20 0 GFADRO C[NH+](C)CCn1cc(C(=O)N2CCC[C@H]2c2ccc(Br)cn2)cn1 ZINC000633390940 566100138 /nfs/dbraw/zinc/10/01/38/566100138.db2.gz AIZSVHSSXCIMHI-INIZCTEOSA-N 1 0 392.301 2.580 20 0 GFADRO C[C@H](NC(=O)C(=O)NCCCc1c(Cl)cccc1Cl)[C@H]1CCC[NH2+]C1 ZINC000656019774 566101302 /nfs/dbraw/zinc/10/13/02/566101302.db2.gz JGAJTVKIHSGJIX-STQMWFEESA-N 1 0 386.323 2.547 20 0 GFADRO CCCN(C(=O)C(=O)NCCCc1c(Cl)cccc1Cl)[C@H]1CC[NH2+]C1 ZINC000656029585 566101336 /nfs/dbraw/zinc/10/13/36/566101336.db2.gz AFOTUTLIKHYIOT-ZDUSSCGKSA-N 1 0 386.323 2.643 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)C(=O)NCCCc2c(Cl)cccc2Cl)CC[N@@H+]1C ZINC000656316627 566123350 /nfs/dbraw/zinc/12/33/50/566123350.db2.gz SISXKKRPVIRPFM-CHWSQXEVSA-N 1 0 386.323 2.641 20 0 GFADRO C[N@@H+]1CCC[C@@H](NC(=O)Nc2ccnn2Cc2ccccc2Br)C1 ZINC000681778448 566124995 /nfs/dbraw/zinc/12/49/95/566124995.db2.gz PDAVNGSTOMATPK-CQSZACIVSA-N 1 0 392.301 2.910 20 0 GFADRO CC[C@H](Cc1cccs1)[NH2+]C1CN(S(=O)(=O)c2ccc(OC)cc2)C1 ZINC000681750973 566125100 /nfs/dbraw/zinc/12/51/00/566125100.db2.gz PAKQVZQSDUBGAW-CQSZACIVSA-N 1 0 380.535 2.741 20 0 GFADRO CC[NH2+]Cc1ccn(Cc2cn(-c3ccc(Br)cc3C)nn2)n1 ZINC000656455971 566127935 /nfs/dbraw/zinc/12/79/35/566127935.db2.gz RHAOMVVUQVFCBW-UHFFFAOYSA-N 1 0 375.274 2.693 20 0 GFADRO CC1([NH+]2CCCC2)CCN(C(=O)c2cnn3cc(Br)cnc23)CC1 ZINC000633944643 566132740 /nfs/dbraw/zinc/13/27/40/566132740.db2.gz KLOIEMGBKTUEMK-UHFFFAOYSA-N 1 0 392.301 2.582 20 0 GFADRO O=C(NC1CC[NH+](CC2CC2)CC1)c1cnc2ncc(Br)cc2c1 ZINC000681964456 566135315 /nfs/dbraw/zinc/13/53/15/566135315.db2.gz PABDWURESOLUIF-UHFFFAOYSA-N 1 0 389.297 2.997 20 0 GFADRO CC[N@@H+]1CCC[C@@H](CNC(=O)c2cnc3ncc(Br)cc3c2)C1 ZINC000681981423 566136300 /nfs/dbraw/zinc/13/63/00/566136300.db2.gz NVJFHUNIBFUTCI-LBPRGKRZSA-N 1 0 377.286 2.854 20 0 GFADRO CC1(C)CN(Cc2cc(Br)ccc2OC(F)F)CC[N@@H+]1CCO ZINC000682034189 566139881 /nfs/dbraw/zinc/13/98/81/566139881.db2.gz DXMMXVDVUGDOTJ-UHFFFAOYSA-N 1 0 393.272 2.939 20 0 GFADRO C[NH+]1CCC(n2cc(NC(=O)COc3ccc(Br)cc3)cn2)CC1 ZINC000634084917 566142688 /nfs/dbraw/zinc/14/26/88/566142688.db2.gz WKDHAZDDOOFMKM-UHFFFAOYSA-N 1 0 393.285 2.930 20 0 GFADRO CSc1nnc(CNC(=O)N2CC[C@H]([N@H+](C)Cc3ccccc3)C2)s1 ZINC000682126354 566145028 /nfs/dbraw/zinc/14/50/28/566145028.db2.gz MLJBBTCEDQZSSZ-AWEZNQCLSA-N 1 0 377.539 2.676 20 0 GFADRO CN(Cc1cccc(O)c1Br)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000656617895 566146756 /nfs/dbraw/zinc/14/67/56/566146756.db2.gz JVKSSMVTLBTNSD-INIZCTEOSA-N 1 0 382.346 2.755 20 0 GFADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)Nc1cc(C)ccc1Br ZINC000682275316 566149077 /nfs/dbraw/zinc/14/90/77/566149077.db2.gz ZKXMEUHDQKDLCC-ZDUSSCGKSA-N 1 0 382.302 2.687 20 0 GFADRO CCOc1cc(C[NH2+]Cc2ccc(CC(N)=O)cc2)cc(Br)c1O ZINC000656625774 566149204 /nfs/dbraw/zinc/14/92/04/566149204.db2.gz BFLRGLPBZGADHH-UHFFFAOYSA-N 1 0 393.281 2.871 20 0 GFADRO CN(CCCC[NH+](C)C)C(=O)C(=O)Nc1ccc(Cl)cc1OC(F)F ZINC000682278557 566149314 /nfs/dbraw/zinc/14/93/14/566149314.db2.gz AFCMPYSADCXAEQ-UHFFFAOYSA-N 1 0 377.819 2.680 20 0 GFADRO Cc1ccc(NC(=O)C(=O)N2CCC[C@@H]([NH2+]C(C)C)C2)cc1Br ZINC000682353365 566151857 /nfs/dbraw/zinc/15/18/57/566151857.db2.gz XHNHWFVDJMJSFV-CQSZACIVSA-N 1 0 382.302 2.685 20 0 GFADRO CC(C)(C)N1CC[C@@H]1C[NH2+]CCS(=O)(=O)c1cccc(Br)c1 ZINC000656702273 566155616 /nfs/dbraw/zinc/15/56/16/566155616.db2.gz NONLXIWFHGUQAW-CQSZACIVSA-N 1 0 389.359 2.685 20 0 GFADRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3cc(Br)cc4[nH]c(=O)[nH]c43)CC[C@H]21 ZINC000612519415 566166051 /nfs/dbraw/zinc/16/60/51/566166051.db2.gz JMPAUBUIPKFDNZ-IINYFYTJSA-N 1 0 393.285 2.587 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@@H]1CN1C(=O)N[C@@H](c2ccc(Br)cc2)C1=O ZINC000656821866 566167248 /nfs/dbraw/zinc/16/72/48/566167248.db2.gz MGCOMZMELVUJPS-KGLIPLIRSA-N 1 0 380.286 2.915 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@@H]1CN1C(=O)N[C@@H](c2ccccc2Br)C1=O ZINC000656821897 566167859 /nfs/dbraw/zinc/16/78/59/566167859.db2.gz MNUISHZEBJWNJQ-RISCZKNCSA-N 1 0 380.286 2.915 20 0 GFADRO Cc1ncc2c(n1)CC[C@@H]([NH2+]C[C@H](O)COc1cc(Cl)cc(Cl)c1)C2 ZINC000634698961 566171447 /nfs/dbraw/zinc/17/14/47/566171447.db2.gz BVMXPEGJYHXPBF-CVEARBPZSA-N 1 0 382.291 2.979 20 0 GFADRO CCn1c2ccc(Br)cc2nc1C[NH2+]C[C@@H](O)C[C@@](C)(O)C1CC1 ZINC000634712326 566172334 /nfs/dbraw/zinc/17/23/34/566172334.db2.gz CSENDLFOWDFGKQ-KBXCAEBGSA-N 1 0 396.329 2.820 20 0 GFADRO C[C@](O)(C[C@@H](O)C[NH2+][C@@H]1CCN(c2cccc(Br)c2)C1)C1CC1 ZINC000634712504 566172567 /nfs/dbraw/zinc/17/25/67/566172567.db2.gz HKKRARDQMGJHPP-NXHRZFHOSA-N 1 0 383.330 2.529 20 0 GFADRO Cn1ncc(Br)c1C[NH2+]C[C@H](O)CO[C@@H]1CCCc2ccccc21 ZINC000634726020 566173181 /nfs/dbraw/zinc/17/31/81/566173181.db2.gz JQCWSQCFGLQCOM-KBXCAEBGSA-N 1 0 394.313 2.727 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2C(=O)Cc1ccc(Br)cc1F ZINC000612751359 566173345 /nfs/dbraw/zinc/17/33/45/566173345.db2.gz FOGAEAVGDNLOLJ-HYVNUMGLSA-N 1 0 399.304 2.841 20 0 GFADRO Cc1ccc(C(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c(C)c1Br ZINC000682892810 566174422 /nfs/dbraw/zinc/17/44/22/566174422.db2.gz JQCWARPNZZIURN-HZPDHXFCSA-N 1 0 381.314 2.737 20 0 GFADRO C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000634747834 566174959 /nfs/dbraw/zinc/17/49/59/566174959.db2.gz BIZYYYMPUKMXJO-AFBMGJRZSA-N 1 0 384.307 2.570 20 0 GFADRO CC1(C)C[NH2+]CC[C@H](NC(=O)Cc2cc3c(cc2Br)OCCO3)C1 ZINC000634762209 566175043 /nfs/dbraw/zinc/17/50/43/566175043.db2.gz ROAFWRZVSPGCSS-ZDUSSCGKSA-N 1 0 397.313 2.657 20 0 GFADRO C[C@]1(NC(=O)N[C@H]2CCCN(c3ccc(Cl)cc3Cl)C2=O)CC[NH2+]C1 ZINC000612905635 566179168 /nfs/dbraw/zinc/17/91/68/566179168.db2.gz WQGITLJJDLOXRT-GUYCJALGSA-N 1 0 385.295 2.540 20 0 GFADRO O=C(N[C@H]1CC12CC[NH2+]CC2)N1CCO[C@H](c2cccc(Br)c2)C1 ZINC000612970705 566180443 /nfs/dbraw/zinc/18/04/43/566180443.db2.gz LFKWRIDRHKHCBD-HOTGVXAUSA-N 1 0 394.313 2.674 20 0 GFADRO COc1cc(C(F)(F)F)ncc1NC(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000683059344 566181524 /nfs/dbraw/zinc/18/15/24/566181524.db2.gz DZAQFHWFQARGEJ-AWEZNQCLSA-N 1 0 378.420 2.668 20 0 GFADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)Nc1cc(Cl)c(Cl)cc1OC ZINC000683023011 566182045 /nfs/dbraw/zinc/18/20/45/566182045.db2.gz NKUVJLABCKQFCT-NSHDSACASA-N 1 0 388.295 2.931 20 0 GFADRO CNS(=O)(=O)Cc1ccc(C[NH2+]Cc2ccc3nc(C)sc3c2)cc1 ZINC000683144278 566184527 /nfs/dbraw/zinc/18/45/27/566184527.db2.gz GBNAWWFNWWBMOY-UHFFFAOYSA-N 1 0 375.519 2.944 20 0 GFADRO COc1cc(Br)c(C[NH2+][C@@H]2CCCS(=O)(=O)CC2)cc1OC ZINC000634960429 566186323 /nfs/dbraw/zinc/18/63/23/566186323.db2.gz ROWHPZAMEKTKQH-GFCCVEGCSA-N 1 0 392.315 2.523 20 0 GFADRO O=S1(=O)CCC[C@@H]([NH2+][C@@H](CO)c2ccc(Cl)cc2C(F)(F)F)CC1 ZINC000634980095 566187127 /nfs/dbraw/zinc/18/71/27/566187127.db2.gz WLQRRSRRQVVJGA-RISCZKNCSA-N 1 0 385.835 2.949 20 0 GFADRO COc1cc(Br)c2nc(N3CC[C@@H]([NH+]4CCCC4)C3)nc(N)c2c1 ZINC000683185393 566187571 /nfs/dbraw/zinc/18/75/71/566187571.db2.gz NRLANIOTODRTLP-LLVKDONJSA-N 1 0 392.301 2.658 20 0 GFADRO Cn1ncc(Br)c1CN[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000635020485 566189732 /nfs/dbraw/zinc/18/97/32/566189732.db2.gz LNWMRIWHMMMFAK-PBHICJAKSA-N 1 0 377.286 2.528 20 0 GFADRO O=C(CCN1CC[NH+](C[C@H]2CCCO2)CC1)Nc1ccc(Br)cc1 ZINC000613334693 566194346 /nfs/dbraw/zinc/19/43/46/566194346.db2.gz JTGOXYJLTBANDL-QGZVFWFLSA-N 1 0 396.329 2.574 20 0 GFADRO C[NH+]1CCC(C)(CNC(=O)[C@@H]2CCO[C@H]2c2cncc(Br)c2)CC1 ZINC000613350968 566195600 /nfs/dbraw/zinc/19/56/00/566195600.db2.gz WRQVXVRUOGMBCL-CVEARBPZSA-N 1 0 396.329 2.770 20 0 GFADRO CN(Cc1ccc(Cl)s1)C(=O)CN1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000613422196 566198048 /nfs/dbraw/zinc/19/80/48/566198048.db2.gz GRCYBOFQYYAEOD-OAHLLOKOSA-N 1 0 385.961 2.547 20 0 GFADRO Cc1cc(Br)cc(C(=O)N[C@H](C)CC[NH+]2CCN(C)CC2)c1C ZINC000613602958 566203463 /nfs/dbraw/zinc/20/34/63/566203463.db2.gz NGZSDKMUORJEMD-CQSZACIVSA-N 1 0 382.346 2.822 20 0 GFADRO CN(CCOc1ccc(Br)cc1)C(=O)C[N@@H+]1CCC12CCOCC2 ZINC000683525431 566203991 /nfs/dbraw/zinc/20/39/91/566203991.db2.gz WFDBUFUIRJBYHI-UHFFFAOYSA-N 1 0 397.313 2.541 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@H](CNS(=O)(=O)c2ccc(OCC(F)F)cc2)C1 ZINC000657033905 566209168 /nfs/dbraw/zinc/20/91/68/566209168.db2.gz PPQAUJNVIWNCCC-CYBMUJFWSA-N 1 0 376.469 2.729 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@H]1CNS(=O)(=O)CCc1ccccc1Br ZINC000657035354 566210333 /nfs/dbraw/zinc/21/03/33/566210333.db2.gz SJJZHWTYVNWQLA-AWEZNQCLSA-N 1 0 389.359 2.784 20 0 GFADRO CSc1ccc(S(=O)(=O)NCC2CC[NH+](C3CCOCC3)CC2)cc1 ZINC000657039413 566211988 /nfs/dbraw/zinc/21/19/88/566211988.db2.gz BQUVKCWUFLBANY-UHFFFAOYSA-N 1 0 384.567 2.578 20 0 GFADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC000635444684 566213431 /nfs/dbraw/zinc/21/34/31/566213431.db2.gz SEODVLZYGYNPRB-HZPDHXFCSA-N 1 0 391.313 2.866 20 0 GFADRO C[C@@H](Cc1ccc(Br)cc1)C(=O)N1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000683912824 566218370 /nfs/dbraw/zinc/21/83/70/566218370.db2.gz NXPFNSIYOKHFSR-KBXCAEBGSA-N 1 0 383.330 2.543 20 0 GFADRO COc1cc(C)c(S(=O)(=O)N2CCN(c3cc[nH+]cc3)CC2)cc1Cl ZINC000683940611 566219871 /nfs/dbraw/zinc/21/98/71/566219871.db2.gz HAHHFHHSKXVMKU-UHFFFAOYSA-N 1 0 381.885 2.563 20 0 GFADRO Nc1c(Cl)c(F)cc(C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)c1Cl ZINC000635583137 566220189 /nfs/dbraw/zinc/22/01/89/566220189.db2.gz WXMBFENTOQGUOS-JTQLQIEISA-N 1 0 390.286 2.945 20 0 GFADRO C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC000635611872 566221108 /nfs/dbraw/zinc/22/11/08/566221108.db2.gz BXOLKZPPOMEOTB-JKSUJKDBSA-N 1 0 394.357 2.996 20 0 GFADRO Cc1nc(CS(=O)(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cs1 ZINC000684101940 566226452 /nfs/dbraw/zinc/22/64/52/566226452.db2.gz IZJBKSURMGQADW-YOEHRIQHSA-N 1 0 379.551 2.924 20 0 GFADRO Cc1nc(CS(=O)(=O)N[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cs1 ZINC000684107046 566227893 /nfs/dbraw/zinc/22/78/93/566227893.db2.gz RMUPIOPICUWCCF-WMLDXEAASA-N 1 0 379.551 2.782 20 0 GFADRO Cc1nc(CS(=O)(=O)NC[C@H](C2CC2)[N@H+](C)Cc2ccccc2)cs1 ZINC000684106818 566227913 /nfs/dbraw/zinc/22/79/13/566227913.db2.gz ZDRKMAVCPJKESN-GOSISDBHSA-N 1 0 379.551 2.782 20 0 GFADRO CC[C@H](Cc1cccc(Br)c1)C(=O)N1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000684176044 566229058 /nfs/dbraw/zinc/22/90/58/566229058.db2.gz SMWAHEPXCBNUQB-VQIMIIECSA-N 1 0 397.357 2.933 20 0 GFADRO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccccc1-c1ccccc1-c1nn[nH]n1 ZINC000736293133 598827445 /nfs/dbraw/zinc/82/74/45/598827445.db2.gz NJVGQUZAYDRYLV-JKSUJKDBSA-N 1 0 388.475 2.842 20 0 GFADRO O=C(Cc1ccc(-c2nn[nH]n2)cc1)N(CC[NH+]1CCCC1)c1ccccc1 ZINC000737953835 598837949 /nfs/dbraw/zinc/83/79/49/598837949.db2.gz DBDRBZZTAZNHSQ-UHFFFAOYSA-N 1 0 376.464 2.538 20 0 GFADRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000736400802 598850231 /nfs/dbraw/zinc/85/02/31/598850231.db2.gz SDSULIBFLDPEOS-CYBMUJFWSA-N 1 0 377.880 2.906 20 0 GFADRO COC(=O)[C@H](c1ccc(-c2nn[nH]n2)cc1)[N@@H+]1CC[C@H](c2ccccc2C)C1 ZINC000736899610 598860889 /nfs/dbraw/zinc/86/08/89/598860889.db2.gz CAMYLEPYNJJDHO-HKUYNNGSSA-N 1 0 377.448 2.879 20 0 GFADRO CCO[C@@H]1C[C@@H]([N@H+](C)Cn2c(C)nnc2-c2cccc(-c3nn[nH]n3)c2)C1(C)C ZINC000736612458 598954383 /nfs/dbraw/zinc/95/43/83/598954383.db2.gz PBCNHPQPKCTDPL-IAGOWNOFSA-N 1 0 396.499 2.527 20 0 GFADRO CCc1ccc([C@@H](C)[NH2+][C@@H]2CCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)cc1 ZINC000736684945 598959522 /nfs/dbraw/zinc/95/95/22/598959522.db2.gz IIUPVCPCPFWLOF-AUUYWEPGSA-N 1 0 376.464 2.885 20 0 GFADRO O=C(OC[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1cccc(-c2nn[nH]n2)c1 ZINC000738218509 598978971 /nfs/dbraw/zinc/97/89/71/598978971.db2.gz HGNOPQCNGMRJEP-KRWDZBQOSA-N 1 0 377.448 2.936 20 0 GFADRO O=C(OCC1CC[NH+](Cc2ccccc2)CC1)c1sccc1-c1nn[nH]n1 ZINC000738220702 599027478 /nfs/dbraw/zinc/02/74/78/599027478.db2.gz SYSJQSVOMHKMJW-UHFFFAOYSA-N 1 0 383.477 2.997 20 0 GFADRO CC(C)(C)CC[NH+]1CCN(c2nc(C(F)(F)F)ccc2-c2nn[nH]n2)CC1 ZINC000735602373 599045501 /nfs/dbraw/zinc/04/55/01/599045501.db2.gz NUHYSUGQVBFLGV-UHFFFAOYSA-N 1 0 383.422 2.839 20 0 GFADRO O=C(CC[NH+](CC1CC1)CC1CC1)Nc1sc2c(c1-c1nn[nH]n1)CCC2 ZINC000737837493 599083831 /nfs/dbraw/zinc/08/38/31/599083831.db2.gz HMVFDOIUAPARLM-UHFFFAOYSA-N 1 0 386.525 2.868 20 0 GFADRO NC(=O)[C@H]([NH2+]CCc1ccc(Cl)cc1Cl)c1ccc(-c2nn[nH]n2)cc1 ZINC000737734841 599085710 /nfs/dbraw/zinc/08/57/10/599085710.db2.gz CDSJHUPENSIQQG-OAHLLOKOSA-N 1 0 391.262 2.532 20 0 GFADRO CC(C)(C[NH2+][C@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1)c1cccc(Cl)c1 ZINC000735670901 599094898 /nfs/dbraw/zinc/09/48/98/599094898.db2.gz XQIHCHOILDRYKI-INIZCTEOSA-N 1 0 384.871 2.614 20 0 GFADRO O=C1[C@H]([N@@H+]2CC[C@H](Cc3ccccc3)C2)CCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000738290528 599139837 /nfs/dbraw/zinc/13/98/37/599139837.db2.gz PNACPVQOUWIYFX-YLJYHZDGSA-N 1 0 388.475 2.537 20 0 GFADRO C[C@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)Nc1cc(-c2nn[nH]n2)cn1C(C)(C)C ZINC000736293616 599239598 /nfs/dbraw/zinc/23/95/98/599239598.db2.gz PBQVSHAZAXLMSF-ZFWWWQNUSA-N 1 0 386.504 2.514 20 0 GFADRO Cc1c(NC(=O)NCC[N@@H+](C)Cc2ccc(F)cc2)cccc1-c1nn[nH]n1 ZINC000822096452 607288436 /nfs/dbraw/zinc/28/84/36/607288436.db2.gz NLSSICXIJABASX-UHFFFAOYSA-N 1 0 383.431 2.568 20 0 GFADRO Cc1c(NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)cccc1-c1nn[nH]n1 ZINC000822091127 607289079 /nfs/dbraw/zinc/28/90/79/607289079.db2.gz OOBZUOFEOUIPGI-INIZCTEOSA-N 1 0 377.452 2.571 20 0 GFADRO Cc1c(NC(=O)NCCC[N@@H+]2CCc3ccccc3C2)cccc1-c1nn[nH]n1 ZINC000822095938 607283337 /nfs/dbraw/zinc/28/33/37/607283337.db2.gz IAVHSFDQAFIXLC-UHFFFAOYSA-N 1 0 391.479 2.745 20 0 GFADRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)Nc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC000821614733 599282071 /nfs/dbraw/zinc/28/20/71/599282071.db2.gz SKGOPIWXYSJALW-MRXNPFEDSA-N 1 0 395.442 2.744 20 0 GFADRO CC[NH+](CC)CC(=O)Nc1ccc(Oc2ccc(-c3nn[nH]n3)cc2OC)cc1 ZINC000736533766 598231373 /nfs/dbraw/zinc/23/13/73/598231373.db2.gz KOZJKAJGSQBYJV-UHFFFAOYSA-N 1 0 396.451 2.948 20 0 GFADRO CC[NH+]1CCN(Cc2ccccc2CNc2cccc(F)c2-c2nn[nH]n2)CC1 ZINC000736570073 598238283 /nfs/dbraw/zinc/23/82/83/598238283.db2.gz VNXBQUXUFKLEMK-UHFFFAOYSA-N 1 0 395.486 2.755 20 0 GFADRO Cc1cc(NCC2CC[NH+](C)CC2)n2c3ccccc3nc2c1-c1nn[nH]n1 ZINC000737273409 598247020 /nfs/dbraw/zinc/24/70/20/598247020.db2.gz CKZHPIHOELFIRU-UHFFFAOYSA-N 1 0 376.468 2.730 20 0 GFADRO O[C@H](C[NH+]1CCC(Oc2cccc(-c3nn[nH]n3)c2)CC1)c1cccc(F)c1 ZINC000738383981 598249607 /nfs/dbraw/zinc/24/96/07/598249607.db2.gz YUMFMNNSNGRCPV-LJQANCHMSA-N 1 0 383.427 2.583 20 0 GFADRO CCC(CC)CNC(=O)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736342633 598257110 /nfs/dbraw/zinc/25/71/10/598257110.db2.gz QQZASTGSBSQYNZ-UHFFFAOYSA-N 1 0 385.516 2.520 20 0 GFADRO C[C@@H]([NH2+]Cc1ccc(-c2nn[nH]n2)cc1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000736135802 598274651 /nfs/dbraw/zinc/27/46/51/598274651.db2.gz PXNOKUJNJPGFEH-PBHICJAKSA-N 1 0 386.500 2.992 20 0 GFADRO Clc1cc(N2CC[NH+](CCOc3ccccc3)CC2)ccc1-c1nn[nH]n1 ZINC000737565752 598275246 /nfs/dbraw/zinc/27/52/46/598275246.db2.gz PXHPOFUJZCDCQE-UHFFFAOYSA-N 1 0 384.871 2.721 20 0 GFADRO CC(C)(C)n1cc(-c2nn[nH]n2)cc1NC(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000735659800 598277570 /nfs/dbraw/zinc/27/75/70/598277570.db2.gz FIKCIZVRYIBPHW-UHFFFAOYSA-N 1 0 386.504 2.515 20 0 GFADRO Cc1ccc([C@H](CNC(=O)Nc2cccc(-c3nn[nH]n3)c2)[NH+]2CCCC2)o1 ZINC000737322262 598282811 /nfs/dbraw/zinc/28/28/11/598282811.db2.gz XEAVWGMXJZBBDI-INIZCTEOSA-N 1 0 381.440 2.727 20 0 GFADRO Cc1ccc([C@@H](CNC(=O)Nc2ccc(-c3nn[nH]n3)cc2)[NH+]2CCCC2)o1 ZINC000737321688 598283031 /nfs/dbraw/zinc/28/30/31/598283031.db2.gz VCMXJEANSRDGGA-MRXNPFEDSA-N 1 0 381.440 2.727 20 0 GFADRO Fc1ccc([C@@H]([NH2+]Cc2cnc3c(-c4nn[nH]n4)cnn3c2)C2CCC2)cc1 ZINC000737648096 598285355 /nfs/dbraw/zinc/28/53/55/598285355.db2.gz HIRWBSUOGMKTOZ-KRWDZBQOSA-N 1 0 378.415 2.680 20 0 GFADRO CC[NH+]1CCC(N(C)C(=S)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)CC1 ZINC000736565558 598318287 /nfs/dbraw/zinc/31/82/87/598318287.db2.gz LOJAWBDVTGESSD-UHFFFAOYSA-N 1 0 379.921 2.633 20 0 GFADRO CC(C)c1nc(C(=O)N(CC[NH+](C)C)Cc2ccc(-c3nn[nH]n3)cc2)cs1 ZINC000735939749 598326817 /nfs/dbraw/zinc/32/68/17/598326817.db2.gz RMJGFOPUPKWJLK-UHFFFAOYSA-N 1 0 399.524 2.651 20 0 GFADRO C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(Oc2cccc(F)c2-c2nn[nH]n2)cc1 ZINC000736859778 598408665 /nfs/dbraw/zinc/40/86/65/598408665.db2.gz JJBSNBIIEBECIK-CQSZACIVSA-N 1 0 396.426 2.622 20 0 GFADRO CC(C)N(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)NCCC[NH+]1CCCCC1 ZINC000735873486 598427506 /nfs/dbraw/zinc/42/75/06/598427506.db2.gz BBXJJJDYDWQLNA-UHFFFAOYSA-N 1 0 385.516 2.663 20 0 GFADRO COc1ccc(C)cc1[C@H](C)[NH2+]CCC(=O)Nc1sccc1-c1nn[nH]n1 ZINC000737075601 598431561 /nfs/dbraw/zinc/43/15/61/598431561.db2.gz NFYABEDLFKVHMS-LBPRGKRZSA-N 1 0 386.481 2.925 20 0 GFADRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)Nc1cc(-c2nn[nH]n2)cn1C(C)(C)C ZINC000736253980 598471364 /nfs/dbraw/zinc/47/13/64/598471364.db2.gz WZRDPGBVIFOMSL-OKILXGFUSA-N 1 0 388.520 2.808 20 0 GFADRO Cc1c2ccccc2oc1[C@H](C)[NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000737209286 598523881 /nfs/dbraw/zinc/52/38/81/598523881.db2.gz MBYDVTNSXNPZBI-QWHCGFSZSA-N 1 0 378.440 2.510 20 0 GFADRO c1nn2c(c1-c1nn[nH]n1)NC[C@@H](C[NH2+][C@H](c1ccccc1)C1CCCC1)C2 ZINC000738426676 598528395 /nfs/dbraw/zinc/52/83/95/598528395.db2.gz SZLXXFYMEUBEIH-RDTXWAMCSA-N 1 0 378.484 2.626 20 0 GFADRO C[C@@H](CNC(=O)CSc1ccc(-c2nn[nH]n2)cc1)[N@H+](C)Cc1ccccc1 ZINC000736014075 598666141 /nfs/dbraw/zinc/66/61/41/598666141.db2.gz KGLQNHDRBYCBQP-HNNXBMFYSA-N 1 0 396.520 2.596 20 0 GFADRO Cc1ccc(NC(=O)C2CC[NH+](Cc3ccc(F)cc3-c3nn[nH]n3)CC2)nc1 ZINC000737355146 598682466 /nfs/dbraw/zinc/68/24/66/598682466.db2.gz AGHCRQSGNQOBKB-UHFFFAOYSA-N 1 0 395.442 2.560 20 0 GFADRO CC[C@H](C)[N@H+](C)CCNC(=O)c1ccc(Oc2ccc(-c3nn[nH]n3)cn2)cc1 ZINC000736322094 598686512 /nfs/dbraw/zinc/68/65/12/598686512.db2.gz HZRMDZHZZGBMBW-AWEZNQCLSA-N 1 0 395.467 2.514 20 0 GFADRO C[C@@H](Cc1ccccc1)C(=O)N(CC[NH+](C)C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000736059364 598741189 /nfs/dbraw/zinc/74/11/89/598741189.db2.gz RUFXUTBQERLZGK-KRWDZBQOSA-N 1 0 392.507 2.636 20 0 GFADRO C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=S)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000736860180 598752252 /nfs/dbraw/zinc/75/22/52/598752252.db2.gz MFCJAOGMCGALCY-CABCVRRESA-N 1 0 391.932 2.776 20 0 GFADRO CCn1cncc1[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1ccccc1-c1nn[nH]n1 ZINC000736722635 598762045 /nfs/dbraw/zinc/76/20/45/598762045.db2.gz PLEQPVBLSLCQAN-KRWDZBQOSA-N 1 0 394.483 2.639 20 0 GFADRO c1ncn([C@H]2CCC[N@@H+](Cc3ccc(-c4ccccc4-c4nn[nH]n4)cc3)C2)n1 ZINC000738424085 598811958 /nfs/dbraw/zinc/81/19/58/598811958.db2.gz VXXCQESDQSCKJI-SFHVURJKSA-N 1 0 386.463 2.962 20 0 GFADRO O=C(Nc1ccc(-c2nn[nH]n2)c(C(F)(F)F)c1)NC1CC[NH+](C2CC2)CC1 ZINC000823303906 599295338 /nfs/dbraw/zinc/29/53/38/599295338.db2.gz YCMFCWOWCBIRPZ-UHFFFAOYSA-N 1 0 395.389 2.634 20 0 GFADRO C[C@@H](c1ccc(-c2nn[nH]n2)cc1)[NH+]1CCN(c2ncnc3sccc32)CC1 ZINC000736201314 599310004 /nfs/dbraw/zinc/31/00/04/599310004.db2.gz WXORASHYJWBHRQ-ZDUSSCGKSA-N 1 0 392.492 2.755 20 0 GFADRO Cc1cccc(NC(=O)[C@@H]2CCC[N@@H+]([C@@H](C)c3ccc(-c4nn[nH]n4)cc3)C2)n1 ZINC000737401441 599310893 /nfs/dbraw/zinc/31/08/93/599310893.db2.gz YDHOUEOHYUIUJW-MAUKXSAKSA-N 1 0 391.479 2.982 20 0 GFADRO C[C@H](c1ccc(-c2nn[nH]n2)cc1)[NH+]1CCC(NC(=O)c2ccsc2)CC1 ZINC000736199140 599311520 /nfs/dbraw/zinc/31/15/20/599311520.db2.gz VVLLWKWYFLUQRD-CYBMUJFWSA-N 1 0 382.493 2.884 20 0 GFADRO C[C@@H](c1ccc(-c2nn[nH]n2)cc1)[N@@H+]1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000736195259 599312648 /nfs/dbraw/zinc/31/26/48/599312648.db2.gz FICYZDSAHMGZRV-SCLBCKFNSA-N 1 0 395.442 2.963 20 0 GFADRO O=C(NCc1ccc(-c2nn[nH]n2)cc1)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000174705124 599319468 /nfs/dbraw/zinc/31/94/68/599319468.db2.gz LKHGYKSENVHEBV-LJQANCHMSA-N 1 0 376.464 2.538 20 0 GFADRO COc1ccc([C@H]2[C@@H](COC(=O)c3ccc(-c4nn[nH]n4)cc3)CC[N@@H+]2C)cc1 ZINC000737076755 599360282 /nfs/dbraw/zinc/36/02/82/599360282.db2.gz OVKICHPOVXMZIA-MJGOQNOKSA-N 1 0 393.447 2.725 20 0 GFADRO COc1ccc2c(C[NH2+][C@H](C)c3cccc(-c4nn[nH]n4)c3)cc(=O)oc2c1 ZINC000821849469 599387375 /nfs/dbraw/zinc/38/73/75/599387375.db2.gz JLWZUVLKDHPXNF-GFCCVEGCSA-N 1 0 377.404 2.833 20 0 GFADRO C[C@@H]([NH2+][C@H](C)c1cccc(-c2nn[nH]n2)c1)C(=O)NCc1ccccc1Cl ZINC000820411635 599389617 /nfs/dbraw/zinc/38/96/17/599389617.db2.gz IZMZPEDSRIZMDM-CHWSQXEVSA-N 1 0 384.871 2.876 20 0 GFADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NCc1cccc(-c2nn[nH]n2)c1 ZINC000821400364 599397467 /nfs/dbraw/zinc/39/74/67/599397467.db2.gz IHRDSIISRMEVEJ-UHFFFAOYSA-N 1 0 393.495 2.629 20 0 GFADRO CCN(CC)C(=O)c1ccc(C[NH2+]Cc2ccc(OC)c(-c3nn[nH]n3)c2)cc1 ZINC000821175902 599400707 /nfs/dbraw/zinc/40/07/07/599400707.db2.gz ZBMZEFOKGMZNPF-UHFFFAOYSA-N 1 0 394.479 2.647 20 0 GFADRO C[C@H](CNC(=O)N[C@@H](C)c1cccc(-c2nn[nH]n2)c1)[N@H+](C)Cc1ccccc1 ZINC000820358569 599438156 /nfs/dbraw/zinc/43/81/56/599438156.db2.gz NRKZQCOOUUQKJP-CVEARBPZSA-N 1 0 393.495 2.747 20 0 GFADRO COc1ccc(OC(F)F)c(C[NH2+]CCOc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000821837685 599452077 /nfs/dbraw/zinc/45/20/77/599452077.db2.gz FRGSAKZHSDCZRU-UHFFFAOYSA-N 1 0 391.378 2.645 20 0 GFADRO C[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@@H+]1C[C@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000736235302 599477395 /nfs/dbraw/zinc/47/73/95/599477395.db2.gz MZUOFPFQYYSNBQ-BJZITVGISA-N 1 0 397.454 2.624 20 0 GFADRO C[C@H](C(=O)Nc1ccccc1-c1nn[nH]n1)[N@@H+]1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000735564445 599477552 /nfs/dbraw/zinc/47/75/52/599477552.db2.gz WTBKWRKNWWBEPQ-ZBFHGGJFSA-N 1 0 394.454 2.897 20 0 GFADRO O=C(C[N@H+]1CC[C@@H](Cc2ccc(F)cc2)C1)Nc1cccc(-c2nn[nH]n2)c1 ZINC000737875298 599478245 /nfs/dbraw/zinc/47/82/45/599478245.db2.gz HWCTZDARXZSQSW-HNNXBMFYSA-N 1 0 380.427 2.509 20 0 GFADRO CC(C)c1ccccc1OCC[NH2+]Cc1cnc2ccc(-c3nn[nH]n3)cn12 ZINC000735933079 599489625 /nfs/dbraw/zinc/48/96/25/599489625.db2.gz SXFUFLRWAORPNZ-UHFFFAOYSA-N 1 0 377.452 2.806 20 0 GFADRO CC[NH+](CC)CC(=O)Nc1c(-c2nn[nH]n2)c(C)c(C)n1Cc1ccccc1 ZINC000736535003 599508896 /nfs/dbraw/zinc/50/88/96/599508896.db2.gz UABPVKILEUVWGZ-UHFFFAOYSA-N 1 0 381.484 2.614 20 0 GFADRO C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1)c1cccc(-c2nn[nH]n2)c1 ZINC000820321933 599528765 /nfs/dbraw/zinc/52/87/65/599528765.db2.gz OELSZOQSSNQZQK-KXBFYZLASA-N 1 0 376.464 2.709 20 0 GFADRO C[C@H](C(=O)N(CC[NH+](C)C)Cc1ccc(-c2nn[nH]n2)cc1)c1ccsc1 ZINC000735511826 599540990 /nfs/dbraw/zinc/54/09/90/599540990.db2.gz HNMMAUNDKLREAS-AWEZNQCLSA-N 1 0 384.509 2.622 20 0 GFADRO C[NH+](C)[C@H]1CCCN(C(=O)c2cccc(Nc3ccc(-c4nn[nH]n4)cc3)c2)C1 ZINC000736756463 599567232 /nfs/dbraw/zinc/56/72/32/599567232.db2.gz IWRLGPPGJNYGJI-IBGZPJMESA-N 1 0 391.479 2.777 20 0 GFADRO CCCO[C@H]1CCC[N@H+](Cc2nnc(-c3cccc(-c4nn[nH]n4)c3)o2)CC1 ZINC000821128295 599574045 /nfs/dbraw/zinc/57/40/45/599574045.db2.gz SWHRSYOUJAAZOG-INIZCTEOSA-N 1 0 383.456 2.698 20 0 GFADRO O[C@H](C[C@H]1CCC[N@@H+]1CCOc1ccccc1-c1nn[nH]n1)c1ccccc1 ZINC000823673308 599593087 /nfs/dbraw/zinc/59/30/87/599593087.db2.gz KOBSHTICISPTDY-IEBWSBKVSA-N 1 0 379.464 2.834 20 0 GFADRO Cc1csc(C(C)(C)[NH2+]CCC(=O)Nc2sccc2-c2nn[nH]n2)n1 ZINC000822409673 599639526 /nfs/dbraw/zinc/63/95/26/599639526.db2.gz UDSWAJZQCVQIKR-UHFFFAOYSA-N 1 0 377.499 2.547 20 0 GFADRO C[N@H+](Cc1cn2ccccc2c1-c1nn[nH]n1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000821615909 599683877 /nfs/dbraw/zinc/68/38/77/599683877.db2.gz UJMNJEZUTFWVGA-HNNXBMFYSA-N 1 0 397.483 2.561 20 0 GFADRO Cc1cc[nH+]c(NC[C@@H]2CC[N@@H+]([C@H](C)C(=O)NCc3ccc(C(=O)[O-])cc3)C2)c1 ZINC000738798440 600096739 /nfs/dbraw/zinc/09/67/39/600096739.db2.gz QGOQOABKSINPFM-AEFFLSMTSA-N 1 0 396.491 2.527 20 0 GFADRO CC(C)Oc1ccc(NC(=O)N2CC[C@H]([NH+]3CCCCC3)C2)cc1-c1nn[nH]n1 ZINC000820164866 607427052 /nfs/dbraw/zinc/42/70/52/607427052.db2.gz MRGMHQPQTSCQTO-INIZCTEOSA-N 1 0 399.499 2.746 20 0 GFADRO CC(C)Oc1ccc(NC(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)cc1-c1nn[nH]n1 ZINC000820164868 607427247 /nfs/dbraw/zinc/42/72/47/607427247.db2.gz MRGMHQPQTSCQTO-MRXNPFEDSA-N 1 0 399.499 2.746 20 0 GFADRO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@H]1N2C(=O)c1ccc(-c2nn[nH]n2)cc1C ZINC000826293826 607431108 /nfs/dbraw/zinc/43/11/08/607431108.db2.gz CDLLADVHSLVFTD-AZUAARDMSA-N 1 0 388.475 2.932 20 0 GFADRO Cc1oc(NC(=O)C[N@@H+](C)[C@H]2CCc3ccccc3C2)c(-c2nn[nH]n2)c1C ZINC000822542078 607450975 /nfs/dbraw/zinc/45/09/75/607450975.db2.gz URNFKWVFCIQKKP-INIZCTEOSA-N 1 0 380.452 2.504 20 0 GFADRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC2(c3cccc(-c4nn[nH]n4)c3)CC2)C1 ZINC000824935989 607453112 /nfs/dbraw/zinc/45/31/12/607453112.db2.gz DJXCMRZBLIRFSY-OAHLLOKOSA-N 1 0 397.527 2.666 20 0 GFADRO CCOC(=O)C(F)(F)[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC000821319261 607466032 /nfs/dbraw/zinc/46/60/32/607466032.db2.gz CKWYEGHBZSHUAC-ZIAGYGMSSA-N 1 0 397.401 2.853 20 0 GFADRO CC(C)(C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)N1CCc2ccccc2C1 ZINC000819984423 607470463 /nfs/dbraw/zinc/47/04/63/607470463.db2.gz VRXNUEGKMQIEIC-UHFFFAOYSA-N 1 0 380.471 2.932 20 0 GFADRO COc1cc(-c2nn[nH]n2)ccc1OCC[N@H+](C)[C@H](C)[C@H]1Cc2ccccc2O1 ZINC000826175427 607473736 /nfs/dbraw/zinc/47/37/36/607473736.db2.gz DYEKWVQPQLJALC-AUUYWEPGSA-N 1 0 395.463 2.578 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@@H+]1Cc1cc(F)ccc1-c1nn[nH]n1 ZINC000824894569 607474623 /nfs/dbraw/zinc/47/46/23/607474623.db2.gz YVWUOJYEQYETBV-DOMZBBRYSA-N 1 0 390.463 2.883 20 0 GFADRO COc1ccc(C2(C[NH2+]Cc3ccc(-c4nn[nH]n4)cc3F)CCOCC2)cc1 ZINC000821782810 607476834 /nfs/dbraw/zinc/47/68/34/607476834.db2.gz OKLGHHOVYUJUGG-UHFFFAOYSA-N 1 0 397.454 2.852 20 0 GFADRO CC(C)(C)OC(=O)N1CC[C@H](CC[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC000819933007 607479998 /nfs/dbraw/zinc/47/99/98/607479998.db2.gz BOMLZVMTPBCFTO-ZDUSSCGKSA-N 1 0 390.463 2.743 20 0 GFADRO c1c(CN2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c(-c2nn[nH]n2)c2ccccn12 ZINC000826524887 607479478 /nfs/dbraw/zinc/47/94/78/607479478.db2.gz NWZIAQJDWXKXJE-YJBOKZPZSA-N 1 0 377.496 2.568 20 0 GFADRO CC(C)(C)OC(=O)NC[C@H]1CCC[C@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC000819939582 607483073 /nfs/dbraw/zinc/48/30/73/607483073.db2.gz GTQQOIDIZSEDGU-GDBMZVCRSA-N 1 0 390.463 2.789 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(C(=O)[O-])c(C)c1 ZINC000829765418 601040251 /nfs/dbraw/zinc/04/02/51/601040251.db2.gz TWYGOBJXQACQRG-QGZVFWFLSA-N 1 0 376.501 2.573 20 0 GFADRO COc1ccc(C[NH+]2CCC(N(C)c3ccccc3)CC2)cc1-c1nn[nH]n1 ZINC000826194516 607511699 /nfs/dbraw/zinc/51/16/99/607511699.db2.gz NYNCVHPTRNLDJQ-UHFFFAOYSA-N 1 0 378.480 2.976 20 0 GFADRO COc1ccc(-c2nn[nH]n2)cc1C[N@H+](C)[C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000826181881 607515712 /nfs/dbraw/zinc/51/57/12/607515712.db2.gz QXVXHBPJXBPBBC-AWEZNQCLSA-N 1 0 390.451 2.649 20 0 GFADRO c1ccc(C[N@H+]2CCC[C@H]3CN(Cc4ccnc(-c5nn[nH]n5)c4)CC[C@@H]32)cc1 ZINC000826521293 607515921 /nfs/dbraw/zinc/51/59/21/607515921.db2.gz HDGHBRAYFGDIJP-FPOVZHCZSA-N 1 0 389.507 2.748 20 0 GFADRO COCCCOc1cccc(C[NH2+]Cc2ccc(OC)c(-c3nn[nH]n3)c2)c1 ZINC000826157334 607568839 /nfs/dbraw/zinc/56/88/39/607568839.db2.gz RDNAIBOEMFBMQX-UHFFFAOYSA-N 1 0 383.452 2.580 20 0 GFADRO C[N@H+](CC1CC[NH+](C[C@H](O)c2ccccc2)CC1)C[C@H]1CCCN(C(=O)[O-])C1 ZINC000739664114 602707148 /nfs/dbraw/zinc/70/71/48/602707148.db2.gz HPGUKGVITDHFRO-CTNGQTDRSA-N 1 0 389.540 2.754 20 0 GFADRO COc1ccc(-c2nn[nH]n2)cc1CN1CC[N@H+](Cc2ccccc2)CC[C@H]1C ZINC000826183757 607638547 /nfs/dbraw/zinc/63/85/47/607638547.db2.gz ZGCNFTWERRLUOV-QGZVFWFLSA-N 1 0 392.507 2.972 20 0 GFADRO Cc1cc(-c2nn[nH]n2)ccc1C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000826249315 607651941 /nfs/dbraw/zinc/65/19/41/607651941.db2.gz WBNVVJUUYALVPA-UHFFFAOYSA-N 1 0 376.464 2.701 20 0 GFADRO CC[NH+](CC)[C@@H](CNC(=O)c1ccc(-c2nn[nH]n2)cc1C)c1ccccc1 ZINC000825407120 607654339 /nfs/dbraw/zinc/65/43/39/607654339.db2.gz ZHYMEORUCDMIPI-IBGZPJMESA-N 1 0 378.480 2.988 20 0 GFADRO CC[C@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1c1ncccc1-c1nn[nH]n1 ZINC000825059580 607679868 /nfs/dbraw/zinc/67/98/68/607679868.db2.gz HEORDFHTKGPSRK-KXBFYZLASA-N 1 0 392.511 2.702 20 0 GFADRO C[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)C[C@@H](O)c1ccccc1Br ZINC000825975961 607687020 /nfs/dbraw/zinc/68/70/20/607687020.db2.gz CFJDDFXSHJMFTC-MRXNPFEDSA-N 1 0 388.269 2.795 20 0 GFADRO Cc1cc(-c2nn[nH]n2)ccc1C(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000826245255 607694818 /nfs/dbraw/zinc/69/48/18/607694818.db2.gz SGEWSAVGNQGIHE-KRWDZBQOSA-N 1 0 390.491 2.912 20 0 GFADRO C[C@@H]1C[N@@H+]([C@@H](C(=O)[O-])c2ccccc2C(F)(F)F)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000833623087 605267746 /nfs/dbraw/zinc/26/77/46/605267746.db2.gz OQBIYKFARGAKJE-FHLIZLRMSA-N 1 0 399.457 2.789 20 0 GFADRO C[C@H](C[C@H]1CCCN1C(=O)[O-])[NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000824767232 605500831 /nfs/dbraw/zinc/50/08/31/605500831.db2.gz HHRBAFBGUAKWNZ-VQIMIIECSA-N 1 0 375.513 2.654 20 0 GFADRO CC(C)CC[NH+]1CCC(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCCN2C(=O)[O-])CC1 ZINC000833793832 605828671 /nfs/dbraw/zinc/82/86/71/605828671.db2.gz INFRORFBOUSZSJ-VAMGGRTRSA-N 1 0 381.561 2.882 20 0 GFADRO CN(C(=O)c1ccc(-c2nn[nH]n2)cc1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000821573234 606033995 /nfs/dbraw/zinc/03/39/95/606033995.db2.gz GZDYVHPATKDIEF-IBGZPJMESA-N 1 0 376.464 2.603 20 0 GFADRO Cc1nc(CN2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)sc1C ZINC000822441331 606101114 /nfs/dbraw/zinc/10/11/14/606101114.db2.gz VRULOMYVHYFJOY-UHFFFAOYSA-N 1 0 383.525 2.648 20 0 GFADRO Cn1cccc1[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000822693862 606113564 /nfs/dbraw/zinc/11/35/64/606113564.db2.gz MGBCKNVWEICNSJ-SFHVURJKSA-N 1 0 379.468 2.761 20 0 GFADRO c1c(C[NH+]2CCC(OC[C@H]3CCCCO3)CC2)c(-c2nn[nH]n2)c2ccccn12 ZINC000823802617 606118093 /nfs/dbraw/zinc/11/80/93/606118093.db2.gz UVURXMITBWXZMK-GOSISDBHSA-N 1 0 396.495 2.670 20 0 GFADRO C[C@@H](c1ccc([S@@](C)=O)cc1)[N@H+](C)CCOc1cccc(-c2nn[nH]n2)c1 ZINC000820563304 606159251 /nfs/dbraw/zinc/15/92/51/606159251.db2.gz PVWHYRCQUQWOJA-PGGUUEOZSA-N 1 0 385.493 2.676 20 0 GFADRO C[C@H](c1ccc([S@](C)=O)cc1)[N@H+](C)CCOc1ccccc1-c1nn[nH]n1 ZINC000820563298 606159565 /nfs/dbraw/zinc/15/95/65/606159565.db2.gz PSQVGBOGVILILR-ASHKIFAZSA-N 1 0 385.493 2.676 20 0 GFADRO CC(C)(C)C[C@H]1CCC[N@@H+]1CCS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000819906689 606186920 /nfs/dbraw/zinc/18/69/20/606186920.db2.gz IVKSBVFVPAVMBA-OAHLLOKOSA-N 1 0 377.514 2.541 20 0 GFADRO O[C@@H](C[C@H]1CCC[N@@H+]1CCOc1ccccc1-c1nn[nH]n1)c1cccs1 ZINC000823672452 606187149 /nfs/dbraw/zinc/18/71/49/606187149.db2.gz DUQYNKAGLOVABU-ZBFHGGJFSA-N 1 0 385.493 2.895 20 0 GFADRO Cc1nnc(N[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c(-c2nn[nH]n2)c1C ZINC000822516414 606200193 /nfs/dbraw/zinc/20/01/93/606200193.db2.gz YZNLZHYNIGBQMN-DYVFJYSZSA-N 1 0 378.484 2.739 20 0 GFADRO O[C@H]([C@H](Cc1ccccc1)[NH2+]Cc1cc(-c2nn[nH]n2)cs1)C(F)(F)F ZINC000823675390 606220641 /nfs/dbraw/zinc/22/06/41/606220641.db2.gz WNBXWMYTTFQYCB-UONOGXRCSA-N 1 0 383.399 2.552 20 0 GFADRO Clc1cc(-c2nn[nH]n2)cnc1NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000822568032 606233485 /nfs/dbraw/zinc/23/34/85/606233485.db2.gz KPSCDMLFNFJKCE-UHFFFAOYSA-N 1 0 391.907 2.610 20 0 GFADRO O=C1[C@@H]([N@@H+]2CC[C@@H](Cc3ccccc3)C2)CCN1c1sccc1-c1nn[nH]n1 ZINC000823504116 606331507 /nfs/dbraw/zinc/33/15/07/606331507.db2.gz MJJPFHNWVNFJBV-RDJZCZTQSA-N 1 0 394.504 2.598 20 0 GFADRO C[C@@H]1[C@H](c2ccccc2)CC[N@@H+]1[C@H]1CCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000820643573 606337758 /nfs/dbraw/zinc/33/77/58/606337758.db2.gz XCQXTHXRKYLBLE-YSGRDPCXSA-N 1 0 388.475 2.850 20 0 GFADRO CC[N@H+](C)Cc1cccc(CNC(=O)Nc2ccc(F)cc2-c2nn[nH]n2)c1 ZINC000821164733 606355788 /nfs/dbraw/zinc/35/57/88/606355788.db2.gz KGCSBWZBQIUGHB-UHFFFAOYSA-N 1 0 383.431 2.779 20 0 GFADRO Cc1ccc([C@H](CNC(=O)Nc2ccc(F)cc2-c2nn[nH]n2)[NH+](C)C)cc1 ZINC000822230461 606357775 /nfs/dbraw/zinc/35/77/75/606357775.db2.gz HIDUAUXVXLUTEO-KRWDZBQOSA-N 1 0 383.431 2.739 20 0 GFADRO Cc1ccc(C[NH+](C)C)cc1NC(=O)[C@H](C)Oc1ccc(-c2nn[nH]n2)cc1 ZINC000822237014 606367940 /nfs/dbraw/zinc/36/79/40/606367940.db2.gz ASABJXWYOBYSOW-AWEZNQCLSA-N 1 0 380.452 2.643 20 0 GFADRO CC1(C)C[N@H+](C[C@H](O)COc2ccc(-c3nn[nH]n3)cc2)[C@H]1c1ccccc1 ZINC000820601993 606378146 /nfs/dbraw/zinc/37/81/46/606378146.db2.gz XOTRNRVLMXSCHF-HKUYNNGSSA-N 1 0 379.464 2.690 20 0 GFADRO Cc1cccc2c1ncc(-c1nn[nH]n1)c2N1CCC(OCCC[NH+](C)C)CC1 ZINC000822333179 606403411 /nfs/dbraw/zinc/40/34/11/606403411.db2.gz ZOVXQZLGBJOYEY-UHFFFAOYSA-N 1 0 395.511 2.660 20 0 GFADRO Clc1cccc(-c2noc(CC[NH2+]Cc3ccc(-c4nn[nH]n4)s3)n2)c1 ZINC000822585501 606420680 /nfs/dbraw/zinc/42/06/80/606420680.db2.gz BAZKBAVIBTZAKE-UHFFFAOYSA-N 1 0 387.856 2.964 20 0 GFADRO CC(C)(C)OC(=O)NC[C@H]1CCC[C@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC000819939940 606422994 /nfs/dbraw/zinc/42/29/94/606422994.db2.gz LUDYXYULTIRKRO-DGCLKSJQSA-N 1 0 378.502 2.711 20 0 GFADRO C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1Cc1ccc(-c2nn[nH]n2)cc1OC(F)F ZINC000821625664 606488657 /nfs/dbraw/zinc/48/86/57/606488657.db2.gz TTZLSXPTRRLPEK-CABCVRRESA-N 1 0 378.427 2.527 20 0 GFADRO CN(c1ccc(NC(=O)c2cc(-c3nn[nH]n3)cs2)cc1)C1CC[NH+](C)CC1 ZINC000821622082 606495258 /nfs/dbraw/zinc/49/52/58/606495258.db2.gz RIANJYGECYNFAR-UHFFFAOYSA-N 1 0 397.508 2.711 20 0 GFADRO FC(F)Oc1cc(-c2nn[nH]n2)ccc1C[N@@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000822733227 606499775 /nfs/dbraw/zinc/49/97/75/606499775.db2.gz UHZGUIJGGKARMQ-ZDUSSCGKSA-N 1 0 375.383 2.571 20 0 GFADRO CC[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1Cc1ccc(-c2nn[nH]n2)cc1OC(F)F ZINC000821002477 606524124 /nfs/dbraw/zinc/52/41/24/606524124.db2.gz XDZJDHHTKAVUBK-HZPDHXFCSA-N 1 0 392.454 2.917 20 0 GFADRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000820758813 606581949 /nfs/dbraw/zinc/58/19/49/606581949.db2.gz DFHOKVXHZLCFQU-DNVCBOLYSA-N 1 0 376.464 2.507 20 0 GFADRO Cn1c2ccccc2nc1[C@@H]1CCC[N@@H+]1CCOc1cccc(-c2nn[nH]n2)c1 ZINC000822596882 606605320 /nfs/dbraw/zinc/60/53/20/606605320.db2.gz XRGKHSSSHYEHLP-IBGZPJMESA-N 1 0 389.463 2.969 20 0 GFADRO C[C@](CO)([NH2+]Cc1cccc(OCc2cccc(-c3nn[nH]n3)c2)c1)C1CC1 ZINC000820281910 606634753 /nfs/dbraw/zinc/63/47/53/606634753.db2.gz ZBHILTDVMOYWOC-OAQYLSRUSA-N 1 0 379.464 2.696 20 0 GFADRO CC[NH+](CC)CCNC(=O)c1ccc(NCc2cccc(-c3nn[nH]n3)c2)cc1 ZINC000821189808 606654044 /nfs/dbraw/zinc/65/40/44/606654044.db2.gz URFISDLCYBTRLC-UHFFFAOYSA-N 1 0 393.495 2.550 20 0 GFADRO CC[NH+](CC)[C@@H](CNC(=O)c1c(F)cc(-c2nn[nH]n2)cc1F)c1ccco1 ZINC000821180999 606674444 /nfs/dbraw/zinc/67/44/44/606674444.db2.gz INWGGYVIYWOVRX-AWEZNQCLSA-N 1 0 390.394 2.551 20 0 GFADRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)C1 ZINC000820980649 606683319 /nfs/dbraw/zinc/68/33/19/606683319.db2.gz MCLADWPVONNUSK-GFCCVEGCSA-N 1 0 392.454 2.775 20 0 GFADRO Cc1ccc(C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)c(OC[C@H]2CCOC2)c1 ZINC000822238430 606728168 /nfs/dbraw/zinc/72/81/68/606728168.db2.gz HNAUCCLESVLTAQ-KRWDZBQOSA-N 1 0 379.464 2.880 20 0 GFADRO Cc1ccc(OC(F)F)c(C[NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)c1 ZINC000822259037 606772772 /nfs/dbraw/zinc/77/27/72/606772772.db2.gz KJCVZRCGIUNUTF-UHFFFAOYSA-N 1 0 385.378 2.714 20 0 GFADRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)N(Cc2ccc(-c3nn[nH]n3)cc2)C(C)C)C1 ZINC000820092065 606838718 /nfs/dbraw/zinc/83/87/18/606838718.db2.gz GMCVRGWJYFFKHH-GOSISDBHSA-N 1 0 399.543 2.765 20 0 GFADRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N(Cc2ccc(-c3nn[nH]n3)cc2)C(C)C)C1 ZINC000820092066 606838814 /nfs/dbraw/zinc/83/88/14/606838814.db2.gz GMCVRGWJYFFKHH-SFHVURJKSA-N 1 0 399.543 2.765 20 0 GFADRO O[C@@H](C[NH2+]Cc1ccc(OC(F)(F)F)cc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823690847 606850059 /nfs/dbraw/zinc/85/00/59/606850059.db2.gz WBYIUBJJWAPHGA-HNNXBMFYSA-N 1 0 379.342 2.589 20 0 GFADRO O[C@@H](C[NH2+]CCOc1cccc2ccccc21)c1ccc(-c2nn[nH]n2)cc1 ZINC000823681551 606856727 /nfs/dbraw/zinc/85/67/27/606856727.db2.gz GNWGZVGHOWIAHC-IBGZPJMESA-N 1 0 375.432 2.722 20 0 GFADRO COc1ccc(C[NH2+][C@H]2C[C@@H](C)N(Cc3ccccc3)C2)cc1-c1nn[nH]n1 ZINC000821803136 606867773 /nfs/dbraw/zinc/86/77/73/606867773.db2.gz CDGRXVAYJADSCG-QAPCUYQASA-N 1 0 378.480 2.628 20 0 GFADRO c1ccc(N2C[C@@H]3C[N@H+](CCCOc4cccc(-c5nn[nH]n5)c4)C[C@@H]3C2)cc1 ZINC000823787267 606888397 /nfs/dbraw/zinc/88/83/97/606888397.db2.gz JVZGMJVUFUOFQM-KDURUIRLSA-N 1 0 390.491 2.704 20 0 GFADRO Cc1ccc(C)c([C@@H]2C[N@H+](C[C@@H](O)c3ccc(-c4nn[nH]n4)cc3)[C@@H](C)CO2)c1 ZINC000822231906 606903835 /nfs/dbraw/zinc/90/38/35/606903835.db2.gz MCRJOGZLXJSCEE-DQLDELGASA-N 1 0 393.491 2.979 20 0 GFADRO Cc1ccc(-c2nn[nH]n2)cc1NC(=O)N[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000822218003 606906324 /nfs/dbraw/zinc/90/63/24/606906324.db2.gz VLTDHCZDCYXCJQ-CRAIPNDOSA-N 1 0 391.479 2.960 20 0 GFADRO CO[C@H](C[NH2+]Cc1cnc2ccc(-c3nn[nH]n3)cn12)c1ccccc1Cl ZINC000821676842 606922906 /nfs/dbraw/zinc/92/29/06/606922906.db2.gz INVHCIJVWDJCDU-MRXNPFEDSA-N 1 0 383.843 2.645 20 0 GFADRO CCc1nnc(N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)c(-c2nn[nH]n2)c1CC ZINC000821522572 606925142 /nfs/dbraw/zinc/92/51/42/606925142.db2.gz MHZXFJSRQMOKJC-MRXNPFEDSA-N 1 0 398.559 2.730 20 0 GFADRO C[C@@H](CC[NH2+]Cc1cccc(OCc2cccc(-c3nn[nH]n3)c2)c1)[S@@](C)=O ZINC000820243002 607009031 /nfs/dbraw/zinc/00/90/31/607009031.db2.gz SUBXXZLBTGUUSJ-OHZJNBGDSA-N 1 0 399.520 2.692 20 0 GFADRO CCCCCCNC(=O)[C@H]1CCC[N@H+](Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC000821056410 607060127 /nfs/dbraw/zinc/06/01/27/607060127.db2.gz QRQIPCYNDYSNFE-HNNXBMFYSA-N 1 0 388.491 2.914 20 0 GFADRO c1nc2ccccn2c1C[NH+]1CCC(Oc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000823801763 607065065 /nfs/dbraw/zinc/06/50/65/607065065.db2.gz AKSRJUDPVLMOTP-UHFFFAOYSA-N 1 0 375.436 2.558 20 0 GFADRO COCC[N@H+](CCOc1ccc(F)cc1)Cc1cc(F)ccc1-c1nn[nH]n1 ZINC000821689633 607066300 /nfs/dbraw/zinc/06/63/00/607066300.db2.gz GMCMGDMICTXWFC-UHFFFAOYSA-N 1 0 389.406 2.672 20 0 GFADRO CCOc1ccc(NC(=O)CC[N@H+](C)Cc2cccc(-c3nn[nH]n3)c2)cc1 ZINC000821422300 607101391 /nfs/dbraw/zinc/10/13/91/607101391.db2.gz SMZVEDWLRRPOKB-UHFFFAOYSA-N 1 0 380.452 2.726 20 0 GFADRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)Nc1ccc(-c2nn[nH]n2)cc1Cl ZINC000820980995 607196440 /nfs/dbraw/zinc/19/64/40/607196440.db2.gz NEOMNSPSCNIEDF-ZDUSSCGKSA-N 1 0 377.880 2.906 20 0 GFADRO CC(C)[C@H](CNc1cc(-c2nn[nH]n2)ccc1C(F)(F)F)[NH+]1CCOCC1 ZINC000820021562 607226921 /nfs/dbraw/zinc/22/69/21/607226921.db2.gz WEXZHZJXJKUWES-HNNXBMFYSA-N 1 0 384.406 2.654 20 0 GFADRO O=C(Oc1ccc(-c2nn[nH]n2)cc1F)C1CC[NH+](Cc2ccccc2)CC1 ZINC000823450270 607245089 /nfs/dbraw/zinc/24/50/89/607245089.db2.gz MPSYLUDVWJGFSD-UHFFFAOYSA-N 1 0 381.411 2.823 20 0 GFADRO C[C@H]1C[C@H](CCNC(=O)c2cc(-c3nn[nH]n3)cs2)C[N@@H+]1Cc1ccccc1 ZINC000824877233 607795570 /nfs/dbraw/zinc/79/55/70/607795570.db2.gz XHADJJHAFUCFDV-HOCLYGCPSA-N 1 0 396.520 2.959 20 0 GFADRO CC[C@@H](C)[C@@H]1CCCC[N@@H+]1CCS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000825061190 607815902 /nfs/dbraw/zinc/81/59/02/607815902.db2.gz WVZUJWBZSICGSL-PBHICJAKSA-N 1 0 377.514 2.541 20 0 GFADRO CC(C)(CCc1ccccc1)[NH2+]CCS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000824158050 607827644 /nfs/dbraw/zinc/82/76/44/607827644.db2.gz QAMAVMMNIQQIBR-UHFFFAOYSA-N 1 0 399.520 2.641 20 0 GFADRO CC(C)(C)[C@H]1CCC[N@H+](CCS(=O)(=O)c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000824079647 607828858 /nfs/dbraw/zinc/82/88/58/607828858.db2.gz QXOKXIBXADVOEB-INIZCTEOSA-N 1 0 391.541 2.789 20 0 GFADRO O=C(c1c(Cl)cc(-c2nn[nH]n2)cc1Cl)N1CC[NH+](C2CCCC2)CC1 ZINC000826469158 607833688 /nfs/dbraw/zinc/83/36/88/607833688.db2.gz WPVNUNAPXBMAAV-UHFFFAOYSA-N 1 0 395.294 2.874 20 0 GFADRO C[N@H+]1Cc2ccccc2[C@H](Nc2nc(C(F)(F)F)ccc2-c2nn[nH]n2)C1 ZINC000826050700 607936581 /nfs/dbraw/zinc/93/65/81/607936581.db2.gz BHNKMEKEKHEHCY-CYBMUJFWSA-N 1 0 375.358 2.879 20 0 GFADRO CC[C@H]1C[N@H+](Cc2cccc(-c3nn[nH]n3)c2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000825211321 607942161 /nfs/dbraw/zinc/94/21/61/607942161.db2.gz MDMJDCFTRLMJKQ-RDJZCZTQSA-N 1 0 386.500 2.992 20 0 GFADRO CCn1c2ccc(-c3nn[nH]n3)cc2nc1-c1ccc(OCC[NH+](C)C)cc1 ZINC000825782886 607975244 /nfs/dbraw/zinc/97/52/44/607975244.db2.gz TZAOBWLKRORKOE-UHFFFAOYSA-N 1 0 377.452 2.844 20 0 GFADRO Cc1cc(C[NH+](C)C)cc(NC(=O)[C@H](C)Oc2ccccc2-c2nn[nH]n2)c1 ZINC000826266691 607999555 /nfs/dbraw/zinc/99/95/55/607999555.db2.gz XXSWMBGPRCLOCD-AWEZNQCLSA-N 1 0 380.452 2.643 20 0 GFADRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)c1nc(-c2ccccc2)no1 ZINC000824427111 608027147 /nfs/dbraw/zinc/02/71/47/608027147.db2.gz LMHMTQQFWZJGFG-GFCCVEGCSA-N 1 0 379.399 2.949 20 0 GFADRO CCC[C@@H](C(=O)Nc1ccc(Oc2cccc(-c3nn[nH]n3)c2)nc1)[NH+](C)C ZINC000825225270 608122151 /nfs/dbraw/zinc/12/21/51/608122151.db2.gz QSODCKYIQNTPDL-INIZCTEOSA-N 1 0 381.440 2.723 20 0 GFADRO Cc1oc(NC(=O)C[N@@H+]2CC[C@@H](c3ccc(C)cc3)C2)c(-c2nn[nH]n2)c1C ZINC000826285649 608127649 /nfs/dbraw/zinc/12/76/49/608127649.db2.gz FWGAZRNNTUUMMM-MRXNPFEDSA-N 1 0 380.452 2.813 20 0 GFADRO c1cc(C[N@H+]2CC=C(c3ccc4c(c3)OCCO4)CC2)cc(-c2nn[nH]n2)c1 ZINC000823867771 608208073 /nfs/dbraw/zinc/20/80/73/608208073.db2.gz HLUGIGHBNPUPJN-UHFFFAOYSA-N 1 0 375.432 2.927 20 0 GFADRO C[C@@H]1C[NH+](CCCCNc2ccc3cc(-c4nn[nH]n4)ccc3n2)C[C@@H](C)O1 ZINC000824985892 608231364 /nfs/dbraw/zinc/23/13/64/608231364.db2.gz ZKUJRUXZRBEHPR-HUUCEWRRSA-N 1 0 381.484 2.716 20 0 GFADRO C[C@H]([NH2+]CCOc1ccc(-c2nn[nH]n2)cc1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000824598106 608279710 /nfs/dbraw/zinc/27/97/10/608279710.db2.gz BTMMYHGJCCKTBH-ZDUSSCGKSA-N 1 0 392.463 2.826 20 0 GFADRO C[C@H](C[C@@H](C)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)OC(C)(C)C ZINC000824393607 608283405 /nfs/dbraw/zinc/28/34/05/608283405.db2.gz UCHDNIKWKONLFI-VXGBXAGGSA-N 1 0 378.452 2.787 20 0 GFADRO COc1ccc(NC(=O)C[C@H](C)[NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)cc1 ZINC000826209551 608285653 /nfs/dbraw/zinc/28/56/53/608285653.db2.gz HNHQNYHFMOUENP-LBPRGKRZSA-N 1 0 384.415 2.521 20 0 GFADRO O[C@]1(Cc2cccc(Cl)c2)CC[N@H+](CCOc2ccccc2-c2nn[nH]n2)C1 ZINC000826506376 608381986 /nfs/dbraw/zinc/38/19/86/608381986.db2.gz SZGFWYXBTHBISU-FQEVSTJZSA-N 1 0 399.882 2.578 20 0 GFADRO CS[C@@H]1CN(c2c(-c3nn[nH]n3)cnc3ccc(Cl)cc32)C[C@@H]1[NH+](C)C ZINC000826227671 608382479 /nfs/dbraw/zinc/38/24/79/608382479.db2.gz VHWRMTPSUKSPRS-LSDHHAIUSA-N 1 0 389.916 2.550 20 0 GFADRO CS[C@H]1CN(c2c(-c3nn[nH]n3)cnc3c(C)cc(C)cc32)C[C@@H]1[NH+](C)C ZINC000826227429 608382792 /nfs/dbraw/zinc/38/27/92/608382792.db2.gz QYTSZUFMVBVWJX-HOTGVXAUSA-N 1 0 383.525 2.514 20 0 GFADRO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ccc(-c2nn[nH]n2)cc1OC(F)F ZINC000825219447 608407205 /nfs/dbraw/zinc/40/72/05/608407205.db2.gz JPJZLLGBXKGNQY-GJZGRUSLSA-N 1 0 378.427 2.527 20 0 GFADRO O[C@@]1(Cc2cccc(Cl)c2)CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2F)C1 ZINC000826506022 608420881 /nfs/dbraw/zinc/42/08/81/608420881.db2.gz LBYREDXDAASNQD-LJQANCHMSA-N 1 0 387.846 2.839 20 0 GFADRO COc1cc(-c2nn[nH]n2)ccc1C[NH2+][C@@H](C)c1cc(OC)c(OC)c(OC)c1 ZINC000826170146 608449200 /nfs/dbraw/zinc/44/92/00/608449200.db2.gz PTDFSINBLRDXFD-LBPRGKRZSA-N 1 0 399.451 2.752 20 0 GFADRO CCOc1ccc(CN(C)C(=O)C[NH2+][C@H](C)c2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000825639447 608461444 /nfs/dbraw/zinc/46/14/44/608461444.db2.gz WFXSUKXCPYEBKK-OAHLLOKOSA-N 1 0 394.479 2.575 20 0 GFADRO C[C@H]([NH2+]C[C@H](O)COCc1ccccc1Cl)c1cccc(-c2nn[nH]n2)c1 ZINC000824568850 608490322 /nfs/dbraw/zinc/49/03/22/608490322.db2.gz DQNAFTOEYDQZLI-GUYCJALGSA-N 1 0 387.871 2.748 20 0 GFADRO C[C@@H]([NH2+]CC(=O)Nc1ccc(F)c(F)c1F)c1cccc(-c2nn[nH]n2)c1 ZINC000824562817 608490477 /nfs/dbraw/zinc/49/04/77/608490477.db2.gz JFXNESYQNPTUBQ-SECBINFHSA-N 1 0 376.342 2.573 20 0 GFADRO c1cc2c(cc1-c1nn[nH]n1)CCC[C@@H]2[NH2+]CC1(N2CCOCC2)CCCCC1 ZINC000826518408 608497739 /nfs/dbraw/zinc/49/77/39/608497739.db2.gz MSYJBWYVIXGCML-FQEVSTJZSA-N 1 0 396.539 2.869 20 0 GFADRO COc1cccc2c1OC[C@@H]([NH2+][C@H]1CCCc3cc(-c4nn[nH]n4)ccc31)C2 ZINC000826217783 608507582 /nfs/dbraw/zinc/50/75/82/608507582.db2.gz BVJNBHXRTUSQSD-WMZOPIPTSA-N 1 0 377.448 2.846 20 0 GFADRO Cc1cc(C)cc([C@H](C)[NH2+]CCS(=O)(=O)c2cccc(-c3nn[nH]n3)c2)c1 ZINC000826264623 608509428 /nfs/dbraw/zinc/50/94/28/608509428.db2.gz URZNTCVFCWLGKY-HNNXBMFYSA-N 1 0 385.493 2.608 20 0 GFADRO O=C(C1CCCC1)N1CC[C@@H]([NH2+][C@H]2CCCc3cc(-c4nn[nH]n4)ccc32)C1 ZINC000826399337 608518877 /nfs/dbraw/zinc/51/88/77/608518877.db2.gz SYLFFTPPBQYXTE-MJGOQNOKSA-N 1 0 380.496 2.625 20 0 GFADRO O=C(C1CCCC1)N1CC[C@H]([NH2+][C@@H]2CCCc3cc(-c4nn[nH]n4)ccc32)C1 ZINC000826399338 608518978 /nfs/dbraw/zinc/51/89/78/608518978.db2.gz SYLFFTPPBQYXTE-PKOBYXMFSA-N 1 0 380.496 2.625 20 0 GFADRO Cc1ccc(N2CC[C@H]([NH2+][C@H]3CCCc4cc(-c5nn[nH]n5)ccc43)C2=O)cc1 ZINC000826289737 608521365 /nfs/dbraw/zinc/52/13/65/608521365.db2.gz LDVIOFVKBLGXHN-PMACEKPBSA-N 1 0 388.475 2.948 20 0 GFADRO COC(=O)COc1c(C)cc(C[N@H+](C)Cc2cccc(-c3nn[nH]n3)c2)cc1C ZINC000826138284 608524781 /nfs/dbraw/zinc/52/47/81/608524781.db2.gz NWHPOSZBXKJDQP-UHFFFAOYSA-N 1 0 395.463 2.667 20 0 GFADRO COc1cc(-c2nn[nH]n2)ccc1OCC[NH2+][C@@H](c1ccccc1)[C@@H]1CCOC1 ZINC000826176479 608527876 /nfs/dbraw/zinc/52/78/76/608527876.db2.gz QRXWLDZSMONVQV-XLIONFOSSA-N 1 0 395.463 2.622 20 0 GFADRO O=C(C[NH2+]C1(c2cccc(-c3nn[nH]n3)c2)CC1)Nc1cc(Cl)ccc1F ZINC000826412518 608532621 /nfs/dbraw/zinc/53/26/21/608532621.db2.gz RDGCTUBFWXFBIY-UHFFFAOYSA-N 1 0 386.818 2.877 20 0 GFADRO CC[C@H]1Oc2cc([C@H](C)[NH2+]Cc3cccc(-c4nn[nH]n4)c3F)ccc2NC1=O ZINC000825220401 608538372 /nfs/dbraw/zinc/53/83/72/608538372.db2.gz SMCXSJXMVYIVOL-MEDUHNTESA-N 1 0 396.426 2.966 20 0 GFADRO COC[C@H]([NH2+]CCCOc1ccc(-c2nn[nH]n2)cc1)c1ccc(F)c(F)c1 ZINC000826151379 608552103 /nfs/dbraw/zinc/55/21/03/608552103.db2.gz ZVIOXXQXPUNNHF-SFHVURJKSA-N 1 0 389.406 2.891 20 0 GFADRO C[C@@H](C(=O)N1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000824906736 608560000 /nfs/dbraw/zinc/56/00/00/608560000.db2.gz DLNOMMJSLVWIAB-OAGGEKHMSA-N 1 0 380.496 2.744 20 0 GFADRO CCc1nc(C[NH2+]C2CCC(Oc3ccc(-c4nn[nH]n4)cn3)CC2)cs1 ZINC000825745476 608569996 /nfs/dbraw/zinc/56/99/96/608569996.db2.gz MTEDJFMWEKARBK-UHFFFAOYSA-N 1 0 385.497 2.760 20 0 GFADRO COc1ccccc1C[NH2+]C1CCC(Oc2ccc(-c3nn[nH]n3)cn2)CC1 ZINC000826219976 608570066 /nfs/dbraw/zinc/57/00/66/608570066.db2.gz XWSDABICRQUYBR-UHFFFAOYSA-N 1 0 380.452 2.750 20 0 GFADRO CC(=O)Nc1ccccc1C[N@@H+]1CCCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000824004949 608583732 /nfs/dbraw/zinc/58/37/32/608583732.db2.gz HECXUGLJLMJJMC-UHFFFAOYSA-N 1 0 391.479 2.537 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(Cc2cnc3ccc(-c4nn[nH]n4)cn23)C1 ZINC000824935736 608639152 /nfs/dbraw/zinc/63/91/52/608639152.db2.gz CRWHGPXEODARBB-SJORKVTESA-N 1 0 394.527 2.601 20 0 GFADRO CCCCCCNC(=O)[C@H]1CCC[N@H+](Cc2cc(-c3nn[nH]n3)cs2)C1 ZINC000825272273 608656063 /nfs/dbraw/zinc/65/60/63/608656063.db2.gz ZNOHIGUBMBEOOW-AWEZNQCLSA-N 1 0 376.530 2.837 20 0 GFADRO C[C@@H](CN1CCOCC1)[N@H+](Cc1ccc(-c2nn[nH]n2)s1)Cc1ccccc1 ZINC000824419819 608676613 /nfs/dbraw/zinc/67/66/13/608676613.db2.gz CCOCEEBYADAILK-INIZCTEOSA-N 1 0 398.536 2.651 20 0 GFADRO c1ccc2c(c1)n[nH]c2C[NH+]1CCC(Oc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826522905 608682416 /nfs/dbraw/zinc/68/24/16/608682416.db2.gz SQIYOIGMJRHHHS-UHFFFAOYSA-N 1 0 375.436 2.786 20 0 GFADRO COC[C@@H]1CC[N@H+](Cc2cccc(OCc3ccccc3-c3nn[nH]n3)c2)C1 ZINC000826153332 608698236 /nfs/dbraw/zinc/69/82/36/608698236.db2.gz JWBAZXQPKPXPMT-QGZVFWFLSA-N 1 0 379.464 2.914 20 0 GFADRO CCC[N@H+](Cc1cnc2ccc(-c3nn[nH]n3)cn12)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000825323067 608720433 /nfs/dbraw/zinc/72/04/33/608720433.db2.gz NVVDQZKPJQHGAV-CGTJXYLNSA-N 1 0 381.484 2.540 20 0 GFADRO C[C@H](C[C@H](C)NC(=O)OC(C)(C)C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC000824393302 608755608 /nfs/dbraw/zinc/75/56/08/608755608.db2.gz RPUGFXMXAILBJS-NEPJUHHUSA-N 1 0 378.452 2.787 20 0 GFADRO CC1CC[NH+](CCc2cccc(NC(=O)c3cc(-c4nn[nH]n4)cn3C)c2)CC1 ZINC000824956921 608764034 /nfs/dbraw/zinc/76/40/34/608764034.db2.gz UNMBQGOVNDJVKZ-UHFFFAOYSA-N 1 0 393.495 2.732 20 0 GFADRO O[C@H](C[C@H]1CCC[N@@H+]1Cc1cnc2ccc(-c3nn[nH]n3)cn12)c1cccs1 ZINC000826503408 608832614 /nfs/dbraw/zinc/83/26/14/608832614.db2.gz WZZLJVJBWQNMSH-GDBMZVCRSA-N 1 0 395.492 2.664 20 0 GFADRO c1cc(-c2nn[nH]n2)oc1CN1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000826521531 608845485 /nfs/dbraw/zinc/84/54/85/608845485.db2.gz QGCHURHTZLHPDS-IEBWSBKVSA-N 1 0 378.480 2.946 20 0 GFADRO C[C@H]([NH2+]Cc1ccc(CN2CCCC2=O)cc1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824612113 609135243 /nfs/dbraw/zinc/13/52/43/609135243.db2.gz JECLBZOCFLCYRE-AWEZNQCLSA-N 1 0 394.454 2.979 20 0 GFADRO CCN(Cc1ccccc1)C(=O)C[NH2+][C@H](C)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000825439857 609138302 /nfs/dbraw/zinc/13/83/02/609138302.db2.gz QUYOSEATWSCPMS-CQSZACIVSA-N 1 0 382.443 2.705 20 0 GFADRO C[C@H]([NH2+]Cc1ccccc1N1CCOCC1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824624653 609138659 /nfs/dbraw/zinc/13/86/59/609138659.db2.gz BBRKURVHTBZPCZ-AWEZNQCLSA-N 1 0 382.443 2.693 20 0 GFADRO COc1cccc(N2CC[C@@H]([NH2+][C@@H](C)c3ccc(-c4nn[nH]n4)c(F)c3)C2)c1 ZINC000826216531 609140085 /nfs/dbraw/zinc/14/00/85/609140085.db2.gz CODCXBFESCIPRB-DZGCQCFKSA-N 1 0 382.443 2.944 20 0 GFADRO C[C@H]1CC[C@H](C(F)(F)F)C[N@@H+]1CCC(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000824907751 609148687 /nfs/dbraw/zinc/14/86/87/609148687.db2.gz KFTYNPJOPFRXTI-AAEUAGOBSA-N 1 0 382.390 2.858 20 0 GFADRO C[C@H]([NH2+]CCCN(C(=O)C1CCC1)C1CC1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824585303 609151001 /nfs/dbraw/zinc/15/10/01/609151001.db2.gz PKPORTIJNCVLEE-ZDUSSCGKSA-N 1 0 386.475 2.838 20 0 GFADRO COc1cc(NCC[NH2+][C@@H](C)c2ccc(-c3nn[nH]n3)c(F)c2)cc(OC)c1 ZINC000826180344 609153271 /nfs/dbraw/zinc/15/32/71/609153271.db2.gz CUXVDKIDVUVBFO-LBPRGKRZSA-N 1 0 386.431 2.786 20 0 GFADRO COc1cc(OC)cc(OCC[NH2+][C@@H](C)c2ccc(-c3nn[nH]n3)c(F)c2)c1 ZINC000826181219 609153336 /nfs/dbraw/zinc/15/33/36/609153336.db2.gz PZJGFOYTHZUULS-LBPRGKRZSA-N 1 0 387.415 2.753 20 0 GFADRO C[C@@H]([NH2+]C[C@H]1CC(=O)N(Cc2ccccc2)C1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824578820 609154882 /nfs/dbraw/zinc/15/48/82/609154882.db2.gz WXJPEVOSFRTDRL-GDBMZVCRSA-N 1 0 394.454 2.705 20 0 GFADRO CC(C)C[C@@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)[NH2+][C@H](C)c1ccccc1 ZINC000824235845 609211022 /nfs/dbraw/zinc/21/10/22/609211022.db2.gz KYSPJBDCHGMDPI-PBHICJAKSA-N 1 0 381.484 2.690 20 0 GFADRO CCC(CC)(CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)[NH2+][C@@H](C)c1ccccc1 ZINC000825089410 609211061 /nfs/dbraw/zinc/21/10/61/609211061.db2.gz FIJZJJXZQYAIRX-AWEZNQCLSA-N 1 0 381.484 2.834 20 0 GFADRO C[C@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)cn1)c1cccc(-c2nn[nH]n2)c1 ZINC000824655024 609251680 /nfs/dbraw/zinc/25/16/80/609251680.db2.gz AUWYTVVIZDXCIC-KBXCAEBGSA-N 1 0 378.484 2.575 20 0 GFADRO C[C@H]([NH2+]CC(=O)Nc1sc2c(c1-c1nn[nH]n1)CCCCC2)c1cccnc1 ZINC000824562051 609282943 /nfs/dbraw/zinc/28/29/43/609282943.db2.gz CDKHOCLCOMILLF-LBPRGKRZSA-N 1 0 397.508 2.881 20 0 GFADRO c1cc(C[N@@H+]2CCC[C@H](c3nnc(C4CCCCC4)[nH]3)C2)cc(-c2nn[nH]n2)n1 ZINC000826516019 609294402 /nfs/dbraw/zinc/29/44/02/609294402.db2.gz UOBATIFAWYZBMU-INIZCTEOSA-N 1 0 393.499 2.807 20 0 GFADRO COc1cccc([C@@H]2[C@@H](Nc3cccc(-c4nn[nH]n4)n3)CC[N@@H+]2C2CC2)c1 ZINC000826215357 609322653 /nfs/dbraw/zinc/32/26/53/609322653.db2.gz MXYYZBRHSFTVMT-QFBILLFUSA-N 1 0 377.452 2.660 20 0 GFADRO CCC(CC)[C@H](C[NH2+][C@@H](C)c1ccc(-c2nn[nH]n2)cc1F)N1CCOCC1 ZINC000825094719 609326748 /nfs/dbraw/zinc/32/67/48/609326748.db2.gz AMRWBLZAWPVYIM-LIRRHRJNSA-N 1 0 390.507 2.793 20 0 GFADRO CCN(CC[NH2+][C@@H](C)c1ccc(-c2nn[nH]n2)cc1F)C(=O)OC(C)(C)C ZINC000825424530 609333531 /nfs/dbraw/zinc/33/35/31/609333531.db2.gz JPUHMSNCRIQFNF-LBPRGKRZSA-N 1 0 378.452 2.913 20 0 GFADRO C[C@@H]([NH2+][C@H](CNC(=O)OC(C)(C)C)C1CC1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824532529 609336776 /nfs/dbraw/zinc/33/67/76/609336776.db2.gz VQIZTRMSCACURL-BDJLRTHQSA-N 1 0 390.463 2.960 20 0 GFADRO CC(C)[C@H]1C[C@@H]([NH2+]Cc2cn(C)nc2-c2ccc(-c3nn[nH]n3)cc2)CCO1 ZINC000824216518 609344153 /nfs/dbraw/zinc/34/41/53/609344153.db2.gz SRCNSZLJRXXAGD-ZWKOTPCHSA-N 1 0 381.484 2.560 20 0 GFADRO COc1cc(NCC[NH2+][C@H](C)c2ccc(-c3nn[nH]n3)cc2F)cc(OC)c1 ZINC000826180280 609344350 /nfs/dbraw/zinc/34/43/50/609344350.db2.gz AEAVOMYIQRSUDK-GFCCVEGCSA-N 1 0 386.431 2.786 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O)c1cccc(F)c1 ZINC000824548424 609413028 /nfs/dbraw/zinc/41/30/28/609413028.db2.gz XGBMDHCECQKHHK-SCLBCKFNSA-N 1 0 380.427 2.852 20 0 GFADRO O=C1[C@H]([NH2+][C@H]2CCc3c2cccc3F)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826477107 609415668 /nfs/dbraw/zinc/41/56/68/609415668.db2.gz VUUUGRUNSNUOKL-RBUKOAKNSA-N 1 0 392.438 2.778 20 0 GFADRO NC(=O)[C@@H]([NH2+]CC1(Cc2ccccc2)CCCC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000826388881 609419313 /nfs/dbraw/zinc/41/93/13/609419313.db2.gz LEBILOMIRICSQH-IBGZPJMESA-N 1 0 390.491 2.786 20 0 GFADRO OC[C@@H]([NH2+]Cc1ccc(F)cc1-c1nn[nH]n1)c1ccc(C(F)(F)F)cc1 ZINC000826508546 609429384 /nfs/dbraw/zinc/42/93/84/609429384.db2.gz SPRMLPNMGACKES-OAHLLOKOSA-N 1 0 381.333 2.848 20 0 GFADRO c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H](Nc4ncccc4-c4nn[nH]n4)[C@H]3C2)cc1 ZINC000826521463 609595626 /nfs/dbraw/zinc/59/56/26/609595626.db2.gz NBUZEHHTAUVICM-YTQUADARSA-N 1 0 375.480 2.974 20 0 GFADRO C[NH+](C)CCn1ccc(NC(=O)[C@H]2C[C@H]2c2ccc(Br)cc2)n1 ZINC000523071051 650631697 /nfs/dbraw/zinc/63/16/97/650631697.db2.gz KOCINLSLPDJTSA-GJZGRUSLSA-N 1 0 377.286 2.949 20 0 GFADRO Cn1ncc(Br)c1C[NH2+]CCNc1ccc(-c2ccccc2)nn1 ZINC000486928203 650725252 /nfs/dbraw/zinc/72/52/52/650725252.db2.gz AUMWSZYGKHJTRE-UHFFFAOYSA-N 1 0 387.285 2.841 20 0 GFADRO CN(C[C@@H](O)COc1ccc(Cl)cc1Br)C[C@H]1CCC[N@@H+]1C ZINC000817289729 660189329 /nfs/dbraw/zinc/18/93/29/660189329.db2.gz CPGAHYKJZNMSCT-ZIAGYGMSSA-N 1 0 391.737 2.868 20 0 GFADRO CN(C)C(=O)[C@@H]1CC[C@@H](C[NH2+][C@@H](c2nc(Br)cs2)C2CC2)O1 ZINC000817580491 660201505 /nfs/dbraw/zinc/20/15/05/660201505.db2.gz LFDPKOBVQSZRKZ-GMXVVIOVSA-N 1 0 388.331 2.582 20 0 GFADRO COc1cc(/C=C/C(=O)N(C)C[C@H]2CCC[N@@H+]2C)cc(Br)c1O ZINC000817675854 660205168 /nfs/dbraw/zinc/20/51/68/660205168.db2.gz CLUKAJNSWVWJGV-KTRBRXNASA-N 1 0 383.286 2.729 20 0 GFADRO O=C([C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000818016748 660213688 /nfs/dbraw/zinc/21/36/88/660213688.db2.gz OSZPFGDFXKUSDJ-ACJLOTCBSA-N 1 0 382.291 2.701 20 0 GFADRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)C[C@@H](O)c3cc(Cl)cc(Cl)c3)[C@H]2C1 ZINC000818038232 660214514 /nfs/dbraw/zinc/21/45/14/660214514.db2.gz AXHYSCFICGPDEV-GVDBMIGSSA-N 1 0 387.307 2.739 20 0 GFADRO Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C[NH2+]CCCCS(C)(=O)=O ZINC000818224475 660220150 /nfs/dbraw/zinc/22/01/50/660220150.db2.gz KVLLVIKKQONFCG-UHFFFAOYSA-N 1 0 387.908 2.947 20 0 GFADRO CS(=O)(=O)CCCC[NH2+]Cc1nc2ccc(Br)cc2s1 ZINC000818225531 660220175 /nfs/dbraw/zinc/22/01/75/660220175.db2.gz FVDQVRKQKWRIAA-UHFFFAOYSA-N 1 0 377.329 2.973 20 0 GFADRO C[C@@H]1CC2(CN1S(=O)(=O)c1cc3c(cc1Cl)CCC3=O)CC[NH2+]CC2 ZINC000818429618 660225735 /nfs/dbraw/zinc/22/57/35/660225735.db2.gz YDDIEXALANBFQW-GFCCVEGCSA-N 1 0 382.913 2.622 20 0 GFADRO C[C@](O)(C[NH2+]CCc1nnc2n1CCC2)c1ccc(Br)cc1Cl ZINC000818967195 660238832 /nfs/dbraw/zinc/23/88/32/660238832.db2.gz ZDIYJUJMXCWTPA-INIZCTEOSA-N 1 0 399.720 2.680 20 0 GFADRO CCN(CC)S(=O)(=O)c1ccc(C[NH2+]C[C@@H](O)c2cccc(F)c2)s1 ZINC000818945804 660236310 /nfs/dbraw/zinc/23/63/10/660236310.db2.gz PAAVTDSSWSHSNS-MRXNPFEDSA-N 1 0 386.514 2.741 20 0 GFADRO O[C@H](C[NH2+]CCc1nnc2n1CCCCC2)c1ccccc1Br ZINC000818946570 660236583 /nfs/dbraw/zinc/23/65/83/660236583.db2.gz RMNSDCAKGHVISJ-OAHLLOKOSA-N 1 0 379.302 2.633 20 0 GFADRO O=S(=O)(CC[NH2+]C[C@H](O)c1ccc(Br)cc1)Cc1ccccc1 ZINC000818976744 660240474 /nfs/dbraw/zinc/24/04/74/660240474.db2.gz NSNWNKYYMPHAGK-KRWDZBQOSA-N 1 0 398.322 2.687 20 0 GFADRO CS(=O)(=O)Cc1cccc(C[NH2+]C[C@H](O)c2ccc(Br)cc2)c1 ZINC000818989993 660241877 /nfs/dbraw/zinc/24/18/77/660241877.db2.gz FCQLWCPABVJERL-KRWDZBQOSA-N 1 0 398.322 2.817 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CC[NH2+]C[C@@H](O)c1ccc(F)cn1 ZINC000818998831 660242703 /nfs/dbraw/zinc/24/27/03/660242703.db2.gz MHAWVQZGMHLJNM-MRXNPFEDSA-N 1 0 396.260 2.943 20 0 GFADRO CN(C)C(=O)[C@@H]1CCC[C@@H]([NH2+]C[C@@H](O)c2ccc(F)c(Br)c2)C1 ZINC000819075101 660245622 /nfs/dbraw/zinc/24/56/22/660245622.db2.gz APSUBWMYUBWEBW-XJKCOSOUSA-N 1 0 387.293 2.858 20 0 GFADRO COC(=O)COc1ccccc1C[NH2+]C[C@H](O)c1ccccc1Br ZINC000819012880 660243343 /nfs/dbraw/zinc/24/33/43/660243343.db2.gz RBHLEYBBXAATNI-INIZCTEOSA-N 1 0 394.265 2.824 20 0 GFADRO COC1CCN(C(C)(C)C[NH2+]C[C@@H](O)c2cccc(Br)c2)CC1 ZINC000819038204 660244103 /nfs/dbraw/zinc/24/41/03/660244103.db2.gz CODRLHFSOXAWRQ-QGZVFWFLSA-N 1 0 385.346 2.962 20 0 GFADRO Cc1ccc(C(=O)NCC[NH2+]C[C@@H](O)c2ccccc2Br)cc1 ZINC000819046010 660244380 /nfs/dbraw/zinc/24/43/80/660244380.db2.gz GNIWBAXLDFVSAH-QGZVFWFLSA-N 1 0 377.282 2.811 20 0 GFADRO O[C@H](C[NH2+][C@@H]1CCN(c2ccccc2Br)C1)c1ccc(F)cn1 ZINC000819054938 660244766 /nfs/dbraw/zinc/24/47/66/660244766.db2.gz QFRCVDOWUXWEDA-CXAGYDPISA-N 1 0 380.261 2.885 20 0 GFADRO CC(C)(C)S(=O)(=O)CC[NH2+]C[C@@H](O)COc1cc(Cl)ccc1Cl ZINC000819060750 660245025 /nfs/dbraw/zinc/24/50/25/660245025.db2.gz KOCKHJFLFLQHRL-GFCCVEGCSA-N 1 0 384.325 2.536 20 0 GFADRO Cc1ncc2c(n1)CCC[C@H]2[NH2+]C[C@H](O)COc1ccc(Br)cc1 ZINC000819080786 660245848 /nfs/dbraw/zinc/24/58/48/660245848.db2.gz INPLFPGJKRTFPK-WMLDXEAASA-N 1 0 392.297 2.954 20 0 GFADRO CO[C@@H](C[NH2+]C[C@@H](O)c1ccc(S(C)(=O)=O)cc1)c1ccc(Cl)cc1 ZINC000819107365 660246790 /nfs/dbraw/zinc/24/67/90/660246790.db2.gz XRPAHLJDOFJFQY-MSOLQXFVSA-N 1 0 383.897 2.754 20 0 GFADRO C[C@](O)(C[NH2+]Cc1ccc(C(N)=O)o1)c1ccc(Br)cc1Cl ZINC000819128128 660247417 /nfs/dbraw/zinc/24/74/17/660247417.db2.gz FFXJHLFZWCUSKQ-HNNXBMFYSA-N 1 0 387.661 2.792 20 0 GFADRO O[C@H](C[NH2+]C[C@H]1CSCCS1)COc1cc(F)cc(Br)c1 ZINC000819141179 660247770 /nfs/dbraw/zinc/24/77/70/660247770.db2.gz GQQGHQZZHSLJTP-OCCSQVGLSA-N 1 0 396.347 2.766 20 0 GFADRO C[C@@H](C[NH2+]CCN(C(=O)OC(C)(C)C)C1CCCCCC1)S(C)(=O)=O ZINC000819154015 660248156 /nfs/dbraw/zinc/24/81/56/660248156.db2.gz FMIIWIUVPRGXGU-HNNXBMFYSA-N 1 0 376.563 2.969 20 0 GFADRO CCC(=O)N1CC[C@H]([NH2+]C[C@](C)(O)c2ccc(Br)cc2Cl)C1 ZINC000819162107 660248339 /nfs/dbraw/zinc/24/83/39/660248339.db2.gz OWTIAKNMDDGWJW-LRDDRELGSA-N 1 0 389.721 2.911 20 0 GFADRO Cc1cc(S(=O)(=O)NCC[NH2+]C[C@@H](O)c2cc(C)cc(C)c2)c(C)s1 ZINC000819180939 660249130 /nfs/dbraw/zinc/24/91/30/660249130.db2.gz ZBXVTCUFETZHQW-QGZVFWFLSA-N 1 0 382.551 2.583 20 0 GFADRO O=C1[C@H]([NH2+]C[C@H](O)c2ccccc2Br)CCCN1CC(F)(F)F ZINC000819182295 660249284 /nfs/dbraw/zinc/24/92/84/660249284.db2.gz LNPJOWFPEXHGLD-OLZOCXBDSA-N 1 0 395.219 2.625 20 0 GFADRO C[C@](O)(C[NH2+][C@H]1CCO[C@@]2(CCOC2)C1)c1ccc(Br)cc1F ZINC000819204148 660250032 /nfs/dbraw/zinc/25/00/32/660250032.db2.gz PSDQTPTXBUQUIG-JQFCIGGWSA-N 1 0 388.277 2.723 20 0 GFADRO O[C@@H](C[NH2+]C1CCN(c2cccnn2)CC1)c1ccc(F)c(Br)c1 ZINC000819264472 660252789 /nfs/dbraw/zinc/25/27/89/660252789.db2.gz UWICEAUFZUGQFO-INIZCTEOSA-N 1 0 395.276 2.670 20 0 GFADRO C[C@@](O)(C[NH2+]C[C@]1(C)CCC(=O)N1)c1ccc(Br)cc1Cl ZINC000819360528 660256848 /nfs/dbraw/zinc/25/68/48/660256848.db2.gz CKWROYATANFJJW-LSDHHAIUSA-N 1 0 375.694 2.568 20 0 GFADRO COc1ccc(OC)c([C@H](O)C[NH2+]CCCCn2cc(Br)cn2)c1 ZINC000819274564 660253330 /nfs/dbraw/zinc/25/33/30/660253330.db2.gz LCUWXAJMCCNPGO-MRXNPFEDSA-N 1 0 398.301 2.766 20 0 GFADRO Cc1cc(C[NH2+]C[C@@H](O)c2ccc(F)cn2)ccc1I ZINC000819284679 660253581 /nfs/dbraw/zinc/25/35/81/660253581.db2.gz SQGSLKFSHBLVQT-OAHLLOKOSA-N 1 0 386.208 2.957 20 0 GFADRO Cc1ccc([C@H](O)C[NH2+]CCCNS(=O)(=O)c2ccccc2Cl)cc1 ZINC000819284112 660253611 /nfs/dbraw/zinc/25/36/11/660253611.db2.gz OZGIIALCRXEJER-QGZVFWFLSA-N 1 0 382.913 2.640 20 0 GFADRO O=S1(=O)C[C@H](C[NH2+]C[C@@H](O)c2ccccc2Br)c2ccccc21 ZINC000819338087 660255706 /nfs/dbraw/zinc/25/57/06/660255706.db2.gz WCTFEORAJKANMA-BLLLJJGKSA-N 1 0 396.306 2.643 20 0 GFADRO C[N@@H+]1C[C@@H]2CCCN(S(=O)(=O)/C=C\c3ccc(Br)cc3)[C@@H]2C1 ZINC000819913761 660274696 /nfs/dbraw/zinc/27/46/96/660274696.db2.gz OAEUYXJSCDRKJV-SLLMGYAOSA-N 1 0 385.327 2.776 20 0 GFADRO CC1(C)CC(NC(=O)c2sccc2S(=O)(=O)C(F)F)CC(C)(C)[NH2+]1 ZINC000820440420 660293550 /nfs/dbraw/zinc/29/35/50/660293550.db2.gz KPRJLPTVLIHYTG-UHFFFAOYSA-N 1 0 380.482 2.783 20 0 GFADRO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1cnn(Cc2ccccc2)c1Br ZINC000820559851 660297472 /nfs/dbraw/zinc/29/74/72/660297472.db2.gz ZRWXYSOVOLHZPQ-CJNGLKHVSA-N 1 0 391.313 2.859 20 0 GFADRO C[C@@H]1C[N@@H+](CCCCNC(=O)c2csc(Br)n2)C[C@H](C)O1 ZINC000820674407 660302408 /nfs/dbraw/zinc/30/24/08/660302408.db2.gz VQWAPFNYFDMVNC-PHIMTYICSA-N 1 0 376.320 2.525 20 0 GFADRO CC(C)(C[NH+]1CCOCC1)C(=O)NC[C@@H](O)c1ccc(Cl)cc1Cl ZINC000820929118 660310314 /nfs/dbraw/zinc/31/03/14/660310314.db2.gz NTWQKJXBBCGNFM-OAHLLOKOSA-N 1 0 375.296 2.501 20 0 GFADRO CC(C)(C[NH+]1CCOCC1)C(=O)NC[C@H](O)c1c(Cl)cccc1Cl ZINC000820944149 660310790 /nfs/dbraw/zinc/31/07/90/660310790.db2.gz OPOJLPPRGJSGMQ-AWEZNQCLSA-N 1 0 375.296 2.501 20 0 GFADRO C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1cnn3cccc(Br)c13)C2 ZINC000821025684 660313563 /nfs/dbraw/zinc/31/35/63/660313563.db2.gz JQNDGFXJZRAVKC-QGZVFWFLSA-N 1 0 377.286 2.655 20 0 GFADRO [NH3+]C1CC2(C1)CC(NS(=O)(=O)Cc1ccc(Cl)cc1Br)C2 ZINC000842796727 661354904 /nfs/dbraw/zinc/35/49/04/661354904.db2.gz ITXIFEFXUFURPL-UHFFFAOYSA-N 1 0 393.734 2.792 20 0 GFADRO COc1ccc(Br)c([C@@H](CO)N(C)C(=O)CC[NH2+]C(C)(C)C)c1 ZINC000821356994 660322960 /nfs/dbraw/zinc/32/29/60/660322960.db2.gz ZXOPFUATWRSGTA-OAHLLOKOSA-N 1 0 387.318 2.728 20 0 GFADRO OCCC[N@H+](CCn1cnc(Br)n1)[C@@H]1CCCc2ccccc21 ZINC000821387325 660324020 /nfs/dbraw/zinc/32/40/20/660324020.db2.gz RQISSAXSHQUQIH-MRXNPFEDSA-N 1 0 379.302 2.803 20 0 GFADRO C[N@H+](CCCCNC(=O)C[C@@H]1C(=O)Nc2ccc(Br)cc21)C1CC1 ZINC000822272548 660342487 /nfs/dbraw/zinc/34/24/87/660342487.db2.gz SHVACVWSRAYJHV-HNNXBMFYSA-N 1 0 394.313 2.866 20 0 GFADRO Brc1ccccc1Cc1noc(-c2cn([C@H]3CCC[NH2+]C3)nn2)n1 ZINC000822696097 660351958 /nfs/dbraw/zinc/35/19/58/660351958.db2.gz JWEPNSQPAZIBKO-LBPRGKRZSA-N 1 0 389.257 2.606 20 0 GFADRO CS(=O)(=O)Nc1ccc(N2CC[NH+](CC[C@@H]3CC3(Cl)Cl)CC2)cc1 ZINC000822804062 660354767 /nfs/dbraw/zinc/35/47/67/660354767.db2.gz VTSIKLVLVUIVSO-CYBMUJFWSA-N 1 0 392.352 2.764 20 0 GFADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1cc2c(ccc(F)c2Br)[nH]1 ZINC000822879466 660356546 /nfs/dbraw/zinc/35/65/46/660356546.db2.gz UBDUCQWYKWKBQT-WDEREUQCSA-N 1 0 396.260 2.663 20 0 GFADRO COCC1(c2nc(-c3cccc(I)c3)no2)CC[NH2+]CC1 ZINC000822920507 660358051 /nfs/dbraw/zinc/35/80/51/660358051.db2.gz YCFTTXIMDHVPRO-UHFFFAOYSA-N 1 0 399.232 2.609 20 0 GFADRO COc1ccc(Cc2noc([C@H]3CC[NH2+][C@@H]3C)n2)c(Br)c1OC ZINC000822946491 660358664 /nfs/dbraw/zinc/35/86/64/660358664.db2.gz FBMPJGQKTAQXOT-KOLCDFICSA-N 1 0 382.258 2.906 20 0 GFADRO CCOC(=O)c1ncn(C2CC[NH+](CC[C@H]3CC3(Cl)Cl)CC2)c1N ZINC000822973673 660359256 /nfs/dbraw/zinc/35/92/56/660359256.db2.gz YJEKOVWHKUJCRD-NSHDSACASA-N 1 0 375.300 2.863 20 0 GFADRO CC[C@H](c1noc(-c2cn(CCC[NH3+])nn2)n1)c1ccc(Br)cc1 ZINC000822996249 660359587 /nfs/dbraw/zinc/35/95/87/660359587.db2.gz JZQKWYIIWKZJOP-ZDUSSCGKSA-N 1 0 391.273 2.981 20 0 GFADRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC000823124122 660362555 /nfs/dbraw/zinc/36/25/55/660362555.db2.gz KJHRUXXCOYICLL-CZUORRHYSA-N 1 0 375.296 2.596 20 0 GFADRO Brc1cccc(-c2nc(-c3noc([C@@H]4C[C@@]45CC[NH2+]C5)n3)n[nH]2)c1 ZINC000823184942 660364185 /nfs/dbraw/zinc/36/41/85/660364185.db2.gz KSHJIFUSACXZLL-MEDUHNTESA-N 1 0 387.241 2.751 20 0 GFADRO C[C@H]1C[C@H](C[N@H+](C)CC(C)(C)S(C)(=O)=O)CCN1C(=O)OC(C)(C)C ZINC000823478024 660373228 /nfs/dbraw/zinc/37/32/28/660373228.db2.gz ZBDMVAJMMFQRPV-LSDHHAIUSA-N 1 0 376.563 2.777 20 0 GFADRO COC(=O)[C@@H]1CN(CC[NH+]2CCCC2)C[C@H]1c1ccc(Br)cc1 ZINC000823492017 660373729 /nfs/dbraw/zinc/37/37/29/660373729.db2.gz FRVOHFAMTYUNMN-DLBZAZTESA-N 1 0 381.314 2.733 20 0 GFADRO CCc1ccc([C@@H](CNC(=O)c2cc(Br)n(C)n2)[NH+](C)C)cc1 ZINC000823596555 660375904 /nfs/dbraw/zinc/37/59/04/660375904.db2.gz QITSCTVVWKLXRP-OAHLLOKOSA-N 1 0 379.302 2.778 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)c1c(Br)nc2n1CCC2)c1cccc(F)c1 ZINC000823596162 660375924 /nfs/dbraw/zinc/37/59/24/660375924.db2.gz HAVNWHVCQWIAST-CYBMUJFWSA-N 1 0 395.276 2.764 20 0 GFADRO O=C1OCCN1C[C@H]1CC[N@@H+](Cc2cc(Br)cc3c2OCC3)C1 ZINC000824455839 660392495 /nfs/dbraw/zinc/39/24/95/660392495.db2.gz YOWZTDAPDHNUSM-LBPRGKRZSA-N 1 0 381.270 2.658 20 0 GFADRO O=C1OCCN1C[C@H]1CC[N@@H+](Cc2cccc(I)c2)C1 ZINC000824455863 660392547 /nfs/dbraw/zinc/39/25/47/660392547.db2.gz ZFCOTAZEYOYSAZ-ZDUSSCGKSA-N 1 0 386.233 2.565 20 0 GFADRO Cn1ncc(C[NH2+]C[C@@H](CO)Cc2cc(Br)ccc2F)c1Cl ZINC000825072513 660409592 /nfs/dbraw/zinc/40/95/92/660409592.db2.gz GUMHGKUOBNXBGJ-JTQLQIEISA-N 1 0 390.684 2.916 20 0 GFADRO Cn1c(Cl)cnc1C[NH2+]C[C@@H](CO)Cc1ccc(F)c(Br)c1 ZINC000825133329 660412152 /nfs/dbraw/zinc/41/21/52/660412152.db2.gz DUHZIKPYNKJGNY-NSHDSACASA-N 1 0 390.684 2.916 20 0 GFADRO COCC1(C[NH2+]Cc2c(C)nn([C@H]3CCS(=O)(=O)C3)c2Cl)CCCC1 ZINC000825245498 660417193 /nfs/dbraw/zinc/41/71/93/660417193.db2.gz KRNLZRSXZRVAAT-AWEZNQCLSA-N 1 0 389.949 2.501 20 0 GFADRO O=C(c1ccco1)N1CCC([NH2+]C[C@@H](O)c2ccccc2Br)CC1 ZINC000825344311 660421728 /nfs/dbraw/zinc/42/17/28/660421728.db2.gz VRQDCKYCWOVBEK-MRXNPFEDSA-N 1 0 393.281 2.970 20 0 GFADRO CCC[N@@H+]1CC[C@H](NC(=O)c2cnn(Cc3ccccc3)c2Br)C1 ZINC000825626883 660435162 /nfs/dbraw/zinc/43/51/62/660435162.db2.gz ZFXDWWKWDFFKSL-HNNXBMFYSA-N 1 0 391.313 2.908 20 0 GFADRO Cc1ccc([C@@H](CNC(=O)c2cc(Br)n(C)n2)[NH+]2CCCC2)o1 ZINC000825582176 660434129 /nfs/dbraw/zinc/43/41/29/660434129.db2.gz XTBZYIIJNJJWIZ-CYBMUJFWSA-N 1 0 381.274 2.651 20 0 GFADRO C[NH+]1CCC([C@H]2CCN(c3ccc(Br)cc3-c3nn[nH]n3)C2)CC1 ZINC000826022413 660447845 /nfs/dbraw/zinc/44/78/45/660447845.db2.gz MNNVYQYPRRCFHF-ZDUSSCGKSA-N 1 0 391.317 2.797 20 0 GFADRO C[N@@H+]1CCC[C@H]2CN(c3ccc(Br)cc3-c3nn[nH]n3)CC[C@H]21 ZINC000826033508 660448189 /nfs/dbraw/zinc/44/81/89/660448189.db2.gz FSFVMTPPPSIGRB-SMDDNHRTSA-N 1 0 377.290 2.550 20 0 GFADRO C[C@]12CC[N@H+](CC[C@H]3CCOC3=O)C[C@H]1C2(Br)Br ZINC000852335647 661861065 /nfs/dbraw/zinc/86/10/65/661861065.db2.gz JLWCWEPMBSKGIZ-UMNHJUIQSA-N 1 0 381.108 2.768 20 0 GFADRO C[C@H](C[NH+](C)C)[C@@H]1CCCCN1C(=O)c1cc(Br)cn2ncnc12 ZINC000826832015 660468018 /nfs/dbraw/zinc/46/80/18/660468018.db2.gz MTESUUMHOPTKEZ-DOMZBBRYSA-N 1 0 394.317 2.684 20 0 GFADRO CN(C(=O)c1cc(Br)n(C)n1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000826961532 660473706 /nfs/dbraw/zinc/47/37/06/660473706.db2.gz HVPBVFHREQOVOJ-CQSZACIVSA-N 1 0 377.286 2.529 20 0 GFADRO O=C(c1cnn(Cc2ccccc2)c1Br)N1CC[C@H]([NH+]2CCC2)C1 ZINC000826949856 660472761 /nfs/dbraw/zinc/47/27/61/660472761.db2.gz MENCYRSNUZSWIC-HNNXBMFYSA-N 1 0 389.297 2.614 20 0 GFADRO CC[C@H](C)[C@H]([NH3+])C(=O)N1CC[C@@]2(C)[C@@H](C1)C2(Br)Br ZINC000852901901 661876950 /nfs/dbraw/zinc/87/69/50/661876950.db2.gz VFOIOSVWROBSGI-WYFGTUCQSA-N 1 0 382.140 2.714 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc(Br)cnc3OCC3CC3)CC[C@@H]21 ZINC000827254187 660486276 /nfs/dbraw/zinc/48/62/76/660486276.db2.gz OQYWSRYULCDTLP-CJNGLKHVSA-N 1 0 394.313 2.799 20 0 GFADRO Cc1ccc(C(=O)N2CCC([NH+]3CCN(C)CC3)CC2)c(C)c1Br ZINC000827440287 660495498 /nfs/dbraw/zinc/49/54/98/660495498.db2.gz RPMQUJJGTXOZTP-UHFFFAOYSA-N 1 0 394.357 2.918 20 0 GFADRO CC[NH+]1CCN([C@@H](C)CNC(=O)c2cc(Cl)nc(C(F)(F)F)c2)CC1 ZINC000827501481 660499676 /nfs/dbraw/zinc/49/96/76/660499676.db2.gz WOUILWCRRAQQAN-NSHDSACASA-N 1 0 378.826 2.510 20 0 GFADRO CN(C(=O)c1cc(Br)n[nH]1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000827662240 660507970 /nfs/dbraw/zinc/50/79/70/660507970.db2.gz OWYTVYKHCBAKJW-UHFFFAOYSA-N 1 0 377.286 2.909 20 0 GFADRO Cc1ccc(Br)c(C(=O)Nc2cnn(C3CC[NH+](C)CC3)c2)n1 ZINC000828097513 660531620 /nfs/dbraw/zinc/53/16/20/660531620.db2.gz CVSCQRLXNDEEIW-UHFFFAOYSA-N 1 0 378.274 2.868 20 0 GFADRO Cc1[nH]nc(Br)c1C(=O)N[C@@H]1CC[N@H+](Cc2ccc(C)cc2)C1 ZINC000828315168 660543610 /nfs/dbraw/zinc/54/36/10/660543610.db2.gz SXUQHCGEEXFSRT-CQSZACIVSA-N 1 0 377.286 2.793 20 0 GFADRO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)C[C@@H]1C(=O)Nc2ccc(Br)cc21 ZINC000828958710 660576417 /nfs/dbraw/zinc/57/64/17/660576417.db2.gz IMTBFQYXPFIVLS-CWRNSKLLSA-N 1 0 392.297 2.570 20 0 GFADRO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)c1cnnn1-c1cccc(Cl)c1Cl ZINC000828959398 660576796 /nfs/dbraw/zinc/57/67/96/660576796.db2.gz NBMSLQRZKKSCEI-QWHCGFSZSA-N 1 0 380.279 2.883 20 0 GFADRO Cc1ccc(C(=O)N(C)CC[NH+]2CC3(C2)CCOCC3)cc1Br ZINC000829266141 660587083 /nfs/dbraw/zinc/58/70/83/660587083.db2.gz GJWQVZPMRBGZSI-UHFFFAOYSA-N 1 0 381.314 2.942 20 0 GFADRO CN(CC[NH+]1CC2(C1)CCOCC2)C(=O)c1ccc(F)cc1Br ZINC000829292951 660587942 /nfs/dbraw/zinc/58/79/42/660587942.db2.gz LHYGOTGBXUYXJD-UHFFFAOYSA-N 1 0 385.277 2.773 20 0 GFADRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)c2cccc(S(=O)(=O)C(F)(F)F)c2)C1 ZINC000829706072 660608831 /nfs/dbraw/zinc/60/88/31/660608831.db2.gz YMESFSLXHJUICA-STQMWFEESA-N 1 0 378.416 2.583 20 0 GFADRO Cc1cc([C@H]([NH3+])CC(=O)Nc2ccc(C)c(S(C)(=O)=O)c2)cc(Cl)n1 ZINC000831465197 660710927 /nfs/dbraw/zinc/71/09/27/660710927.db2.gz DGJBPVYTORJXGV-CQSZACIVSA-N 1 0 381.885 2.784 20 0 GFADRO Cn1cc(C[NH2+]C[C@H]2CCCO[C@H]2C(C)(C)C)c(I)n1 ZINC000894260819 663451496 /nfs/dbraw/zinc/45/14/96/663451496.db2.gz OSAHQHPUWLQALW-DGCLKSJQSA-N 1 0 391.297 2.956 20 0 GFADRO C[C@H]1CC(CC[NH2+]Cc2cn(C)nc2I)C[C@H](C)O1 ZINC000894684735 663476142 /nfs/dbraw/zinc/47/61/42/663476142.db2.gz PJXYFGPGWWOQFQ-QWRGUYRKSA-N 1 0 377.270 2.708 20 0 GFADRO CCC(O)(CC)C(C)(C)C[NH2+]Cc1c(I)cnn1C ZINC000895233934 663504044 /nfs/dbraw/zinc/50/40/44/663504044.db2.gz AVWARHTZGLLGMA-UHFFFAOYSA-N 1 0 379.286 2.692 20 0 GFADRO C[C@@H](NCc1ccc(N2CC[NH+](C)CC2)nc1)c1nc(Br)cs1 ZINC000834501934 660822535 /nfs/dbraw/zinc/82/25/35/660822535.db2.gz KXDXATVMUAEFRA-GFCCVEGCSA-N 1 0 396.358 2.903 20 0 GFADRO C[C@@H](CC(=O)NC[C@H]1[NH2+]CCc2ccccc21)n1cc(Br)cn1 ZINC000834764975 660832385 /nfs/dbraw/zinc/83/23/85/660832385.db2.gz PSTMAEFSJKOWST-BLLLJJGKSA-N 1 0 377.286 2.600 20 0 GFADRO CC(C)(C[NH+]1CCCC1)NC(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000836219734 660895642 /nfs/dbraw/zinc/89/56/42/660895642.db2.gz JAJBPJRAKMZDGY-UHFFFAOYSA-N 1 0 375.441 2.679 20 0 GFADRO C[C@]1(CCNC(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)CC1(Cl)Cl ZINC000836312545 660899136 /nfs/dbraw/zinc/89/91/36/660899136.db2.gz ZPKOTHGIVAKIDZ-BBRMVZONSA-N 1 0 378.344 2.761 20 0 GFADRO CCN1CC[NH+](C[C@H](C)CNC(=O)NCC[C@]2(C)CC2(Cl)Cl)CC1 ZINC000836343402 660900401 /nfs/dbraw/zinc/90/04/01/660900401.db2.gz HSBMJBMDRCHCBK-GDBMZVCRSA-N 1 0 379.376 2.533 20 0 GFADRO C[C@@H](C[NH+]1CCCCC1)NC(=O)NC[C@H](O)c1ccccc1Br ZINC000836344246 660900471 /nfs/dbraw/zinc/90/04/71/660900471.db2.gz CHNWJXVPPMUVMO-BBRMVZONSA-N 1 0 384.318 2.656 20 0 GFADRO C[C@@]1(CNC(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)CC1(Cl)Cl ZINC000836393112 660903324 /nfs/dbraw/zinc/90/33/24/660903324.db2.gz PFWKPLHQMIIKRF-RDJZCZTQSA-N 1 0 386.323 2.636 20 0 GFADRO COc1cc[nH+]c(N2CCN(C(=O)NCC[C@@]3(C)CC3(Cl)Cl)CC2)c1 ZINC000836617307 660921125 /nfs/dbraw/zinc/92/11/25/660921125.db2.gz CKIZAKWNHWMMLQ-INIZCTEOSA-N 1 0 387.311 2.896 20 0 GFADRO Cc1c(Br)nccc1NC(=O)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000836675848 660925199 /nfs/dbraw/zinc/92/51/99/660925199.db2.gz FTEQCTVEPZMVJU-UHFFFAOYSA-N 1 0 398.349 2.642 20 0 GFADRO Cc1cc(Br)nc(NC(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c1 ZINC000836763910 660940447 /nfs/dbraw/zinc/94/04/47/660940447.db2.gz NDQBJMJJOLAMOG-KGLIPLIRSA-N 1 0 397.317 2.652 20 0 GFADRO C[C@H](Oc1ccc(Br)cc1)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000008122109 654479396 /nfs/dbraw/zinc/47/93/96/654479396.db2.gz HEBXTWQEWQNGLX-AWEZNQCLSA-N 1 0 390.281 2.960 20 0 GFADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CSc2nc3ccccc3s2)C1 ZINC000018186607 654522662 /nfs/dbraw/zinc/52/26/62/654522662.db2.gz PUHOUGZJOHRJKJ-AWEZNQCLSA-N 1 0 379.551 2.861 20 0 GFADRO C[NH+]1CCN(CCCNC(=S)Nc2ccc(OC(F)(F)F)cc2)CC1 ZINC000022772383 654534615 /nfs/dbraw/zinc/53/46/15/654534615.db2.gz ACLYZRZZPSUYEO-UHFFFAOYSA-N 1 0 376.448 2.509 20 0 GFADRO CC(C)[C@H](NC(=O)c1cccs1)C(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000023133172 654536351 /nfs/dbraw/zinc/53/63/51/654536351.db2.gz QXSPIUXSXIFDBR-ZBFHGGJFSA-N 1 0 379.551 2.983 20 0 GFADRO C[NH+](C)Cc1cccc(CNS(=O)(=O)c2ccc(Br)cc2)c1 ZINC000026854354 654559935 /nfs/dbraw/zinc/55/99/35/654559935.db2.gz QCZXTFUWMHBCIH-UHFFFAOYSA-N 1 0 383.311 2.989 20 0 GFADRO COC(=O)c1ccc(Cl)c(S(=O)(=O)NCCC[NH+]2CCC(C)CC2)c1 ZINC000028039312 654569033 /nfs/dbraw/zinc/56/90/33/654569033.db2.gz IVXKAMKHYWPNQO-UHFFFAOYSA-N 1 0 388.917 2.527 20 0 GFADRO CC1CC[NH+](CCCNC(=O)CN2C(=S)N=NC2c2cccs2)CC1 ZINC000028069179 654570128 /nfs/dbraw/zinc/57/01/28/654570128.db2.gz QZNQBFJHSROJFH-UHFFFAOYSA-N 1 0 379.555 2.534 20 0 GFADRO O=C(COc1ccc(Cl)cc1Cl)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000036103446 654611649 /nfs/dbraw/zinc/61/16/49/654611649.db2.gz FKXMJTMCOMHQNI-UHFFFAOYSA-N 1 0 387.307 2.943 20 0 GFADRO Cc1cc(NC(=O)C(=O)NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)ccc1Br ZINC000041651886 654628961 /nfs/dbraw/zinc/62/89/61/654628961.db2.gz GEZGJVBFXOXKSN-GXTWGEPZSA-N 1 0 396.329 2.933 20 0 GFADRO C[C@@H](CNC(=O)C(=O)Nc1ccc(Br)cc1)[N@@H+]1CCC[C@H](C)C1 ZINC000041651262 654629031 /nfs/dbraw/zinc/62/90/31/654629031.db2.gz NKYGLLSLCAIGNT-STQMWFEESA-N 1 0 382.302 2.624 20 0 GFADRO C[C@@H](SC(=S)N1CCCC1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000042215399 654635968 /nfs/dbraw/zinc/63/59/68/654635968.db2.gz OGEFGWARZSGQHQ-NVXWUHKLSA-N 1 0 377.579 2.880 20 0 GFADRO C[C@@H](NC(=O)c1ccc(Br)cc1)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000042762401 654644168 /nfs/dbraw/zinc/64/41/68/654644168.db2.gz NJRUZGXTEIWWPM-CYBMUJFWSA-N 1 0 396.329 2.558 20 0 GFADRO CC(C)(C)[N@@H+]1CCCN(C(=O)c2c(Br)nc3n2CCCC3)CC1 ZINC000837379285 660990776 /nfs/dbraw/zinc/99/07/76/660990776.db2.gz ZUZKQEUYMSOHJL-UHFFFAOYSA-N 1 0 383.334 2.928 20 0 GFADRO CC[NH+]1CCN([C@@H](C)CNC(=O)C(C)(C)c2ccc(Br)cc2)CC1 ZINC000046948326 654688260 /nfs/dbraw/zinc/68/82/60/654688260.db2.gz ISWNLGCTDKEORW-HNNXBMFYSA-N 1 0 396.373 2.869 20 0 GFADRO CC(C)[NH+]1CCN(C(=O)c2ccc(-n3cc(Br)cn3)cc2)CC1 ZINC000047474878 654695873 /nfs/dbraw/zinc/69/58/73/654695873.db2.gz IHNFOTXSYOYLMI-UHFFFAOYSA-N 1 0 377.286 2.801 20 0 GFADRO CCOC(=O)N[C@H]1CCC[N@H+](CCC(=O)Nc2ccc(Br)cc2)C1 ZINC000047796988 654701003 /nfs/dbraw/zinc/70/10/03/654701003.db2.gz DLSVXTJZDBIOFP-HNNXBMFYSA-N 1 0 398.301 2.988 20 0 GFADRO O=C(NC[C@H](O)C(F)(F)F)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000048740907 654712459 /nfs/dbraw/zinc/71/24/59/654712459.db2.gz HRVWPOONQJGMDN-KGLIPLIRSA-N 1 0 379.810 2.699 20 0 GFADRO C[NH+](C)Cc1cccc(NC(=O)CNC(=O)c2ccc(Br)s2)c1 ZINC000052674943 654738151 /nfs/dbraw/zinc/73/81/51/654738151.db2.gz KNKOLPJUXDPOOK-UHFFFAOYSA-N 1 0 396.310 2.941 20 0 GFADRO C[NH+]1CCN(CCCNC(=O)c2csc(-c3ccc(Cl)cc3)n2)CC1 ZINC000053287758 654743769 /nfs/dbraw/zinc/74/37/69/654743769.db2.gz ZRVHLDMSDVXNRQ-UHFFFAOYSA-N 1 0 378.929 2.831 20 0 GFADRO Cc1cc(NC(=O)C(=O)NC[C@@H](C(C)C)[NH+]2CCCC2)ccc1Br ZINC000122821975 654743819 /nfs/dbraw/zinc/74/38/19/654743819.db2.gz ASKHERCUGDITCM-INIZCTEOSA-N 1 0 396.329 2.933 20 0 GFADRO CC[NH+](CC)[C@H](CNC(=O)c1sccc1-n1cnnn1)c1ccsc1 ZINC000053501828 654747629 /nfs/dbraw/zinc/74/76/29/654747629.db2.gz AYMJQXBDYTUHIV-CQSZACIVSA-N 1 0 376.511 2.598 20 0 GFADRO CSc1ncc(Cl)c(C(=O)NC2CC[NH+](Cc3ccccn3)CC2)n1 ZINC000053990749 654754677 /nfs/dbraw/zinc/75/46/77/654754677.db2.gz PTVGWEPXJAXFRP-UHFFFAOYSA-N 1 0 377.901 2.641 20 0 GFADRO O=C(N[C@H]1CCC[NH2+]C1)[C@@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000123979175 654767725 /nfs/dbraw/zinc/76/77/25/654767725.db2.gz GZTRSSVVDQBRKX-KGLIPLIRSA-N 1 0 384.307 2.714 20 0 GFADRO [NH3+]C[C@H](NS(=O)(=O)c1cc(F)ccc1Br)C1CCCCC1 ZINC000124248784 654772656 /nfs/dbraw/zinc/77/26/56/654772656.db2.gz UNCWHJMOOPZTNN-ZDUSSCGKSA-N 1 0 379.295 2.774 20 0 GFADRO COc1ccc(C(=O)NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c(Br)c1 ZINC000124341178 654774672 /nfs/dbraw/zinc/77/46/72/654774672.db2.gz HETXAKYXDXSZFT-BETUJISGSA-N 1 0 385.302 2.687 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(OC)c(I)c1 ZINC000124501214 654776964 /nfs/dbraw/zinc/77/69/64/654776964.db2.gz SAUQUYUEUIOWHY-GFCCVEGCSA-N 1 0 388.249 2.514 20 0 GFADRO CC(C)(CNC(=O)c1c(Br)nc2n1CCCC2)C[NH+]1CCCC1 ZINC000837572736 661005641 /nfs/dbraw/zinc/00/56/41/661005641.db2.gz PPLHNVZCTQVSKP-UHFFFAOYSA-N 1 0 383.334 2.834 20 0 GFADRO Cn1nccc1NC(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000124858910 654782969 /nfs/dbraw/zinc/78/29/69/654782969.db2.gz QDNSEFPZZFCAAN-UHFFFAOYSA-N 1 0 380.290 2.778 20 0 GFADRO CN1CC[NH+](CCCCNC(=O)c2cc(Cl)cc(Br)c2)CC1 ZINC000125574139 654798303 /nfs/dbraw/zinc/79/83/03/654798303.db2.gz JWVAPEOTNPWWJA-UHFFFAOYSA-N 1 0 388.737 2.860 20 0 GFADRO CN1CC[NH+](CC2CCN(C(=O)c3ccccc3Br)CC2)CC1 ZINC000057065518 654799328 /nfs/dbraw/zinc/79/93/28/654799328.db2.gz PDLIZBJCARAVTN-UHFFFAOYSA-N 1 0 380.330 2.549 20 0 GFADRO Cc1cc(NC(=O)CC[N@@H+](C)[C@@H](CO)c2cccc(Br)c2)no1 ZINC000125607933 654799385 /nfs/dbraw/zinc/79/93/85/654799385.db2.gz NRLNAKVCRLRZLZ-AWEZNQCLSA-N 1 0 382.258 2.740 20 0 GFADRO C[N@H+](CCC(=O)NCc1ccccc1Cl)[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000125795096 654802377 /nfs/dbraw/zinc/80/23/77/654802377.db2.gz XVDKDAJLTTWDSQ-IRXDYDNUSA-N 1 0 386.945 2.634 20 0 GFADRO COC(=O)CCCNC(=S)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000057817335 654810575 /nfs/dbraw/zinc/81/05/75/654810575.db2.gz DFNCHXOIXPVHLM-UHFFFAOYSA-N 1 0 381.567 2.518 20 0 GFADRO O[C@H](COc1cc(Cl)ccc1Cl)CN1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000057941863 654812764 /nfs/dbraw/zinc/81/27/64/654812764.db2.gz FNHUXDVUHOSNOW-JKSUJKDBSA-N 1 0 389.323 2.530 20 0 GFADRO O=C(CCOc1cccc(Cl)c1Cl)NCCCC[NH+]1CCOCC1 ZINC000058900299 654823885 /nfs/dbraw/zinc/82/38/85/654823885.db2.gz XLYLLIJDWCQNPI-UHFFFAOYSA-N 1 0 375.296 2.991 20 0 GFADRO C[C@H](CNS(=O)(=O)c1cc(Br)ccc1F)[NH+]1CCC(C)CC1 ZINC000060321628 654827795 /nfs/dbraw/zinc/82/77/95/654827795.db2.gz DOMOFVPXNMWWTM-GFCCVEGCSA-N 1 0 393.322 2.987 20 0 GFADRO CN(C)c1cc(CSCc2ccc(S(=O)(=O)N3CCCC3)o2)ccn1 ZINC000127501631 654830632 /nfs/dbraw/zinc/83/06/32/654830632.db2.gz IWKOXOHHHGZINV-UHFFFAOYSA-N 1 0 381.523 2.959 20 0 GFADRO C[C@H](CNC(=O)N(C)C[C@H](O)c1ccccc1Br)[NH+]1CCCCC1 ZINC000837767246 661015347 /nfs/dbraw/zinc/01/53/47/661015347.db2.gz LTEPPZUIHYSMEN-PBHICJAKSA-N 1 0 398.345 2.998 20 0 GFADRO Cc1cc(Br)cc(Cl)c1NC(=O)C(=O)NCC[NH2+]C(C)(C)C ZINC000127815762 654834689 /nfs/dbraw/zinc/83/46/89/654834689.db2.gz SCQYFICYDGAHJK-UHFFFAOYSA-N 1 0 390.709 2.854 20 0 GFADRO O=C(Nc1cccc(C[NH2+][C@@H]2CCS(=O)(=O)C2)c1)c1ccccc1Cl ZINC000061002623 654835078 /nfs/dbraw/zinc/83/50/78/654835078.db2.gz UDLXCIRHQGQKOU-OAHLLOKOSA-N 1 0 378.881 2.869 20 0 GFADRO C[C@@H]1C[NH+](CCCNC(=O)[C@@H]2COc3ccc(Br)cc32)C[C@@H](C)O1 ZINC000127926068 654837621 /nfs/dbraw/zinc/83/76/21/654837621.db2.gz FDDHZOGJIRVWKV-XJKCOSOUSA-N 1 0 397.313 2.541 20 0 GFADRO CC(C)(C)[N@@H+]1CCCN(C(=O)c2ccc(Cl)c(NS(C)(=O)=O)c2)CC1 ZINC000061433291 654839248 /nfs/dbraw/zinc/83/92/48/654839248.db2.gz CPYGYIYKFJNAMB-UHFFFAOYSA-N 1 0 387.933 2.658 20 0 GFADRO C[NH+](C)C[C@@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1Cl ZINC000061655705 654841453 /nfs/dbraw/zinc/84/14/53/654841453.db2.gz BALKQLPZPIRJSU-NSHDSACASA-N 1 0 381.723 2.817 20 0 GFADRO CC(C)(C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccc(Br)cc1 ZINC000061649331 654841574 /nfs/dbraw/zinc/84/15/74/654841574.db2.gz JQYQRYBZHYTLCI-JKSUJKDBSA-N 1 0 381.314 2.706 20 0 GFADRO COCCNS(=O)(=O)c1ccc(C[NH2+]Cc2ccc(SC)cc2)cc1 ZINC000062253865 654844352 /nfs/dbraw/zinc/84/43/52/654844352.db2.gz UBNDGBDICAMEJZ-UHFFFAOYSA-N 1 0 380.535 2.623 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)[C@H]1CCN(c2cc(Cl)ccc2Cl)C1=O)C1CC1 ZINC000128387583 654845488 /nfs/dbraw/zinc/84/54/88/654845488.db2.gz DVZQHFUDZBLMIH-CZUORRHYSA-N 1 0 384.307 2.803 20 0 GFADRO CCC[NH+]1CCC(NS(=O)(=O)N(C)Cc2c(F)cccc2Cl)CC1 ZINC000128457831 654847450 /nfs/dbraw/zinc/84/74/50/654847450.db2.gz JHNPUZBZEHZKQL-UHFFFAOYSA-N 1 0 377.913 2.620 20 0 GFADRO CC(C)[C@H]([NH3+])CCN(C)CC(=O)Nc1cccc(I)c1 ZINC000128468459 654847748 /nfs/dbraw/zinc/84/77/48/654847748.db2.gz BPXWCKNQOMSKQX-CQSZACIVSA-N 1 0 389.281 2.535 20 0 GFADRO CC[NH+](CC)C[C@@H](C)NC(=O)N(C)C[C@@H](O)c1ccccc1Br ZINC000837907309 661019573 /nfs/dbraw/zinc/01/95/73/661019573.db2.gz MRDJRXVVZOOESV-CZUORRHYSA-N 1 0 386.334 2.854 20 0 GFADRO CCC[NH+]1CCC(CNC(=O)C(=O)Nc2cccc(Br)c2C)CC1 ZINC000128632675 654849015 /nfs/dbraw/zinc/84/90/15/654849015.db2.gz BMUKJYKZBDDRAW-UHFFFAOYSA-N 1 0 396.329 2.934 20 0 GFADRO C[NH+](C)CCCNC(=S)N1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000063177045 654850028 /nfs/dbraw/zinc/85/00/28/654850028.db2.gz DVQCNMIGSCJQOO-OAHLLOKOSA-N 1 0 386.359 2.649 20 0 GFADRO C[C@@H]([NH2+]C[C@H]1CCCN(S(C)(=O)=O)C1)c1ccc(Br)cc1 ZINC000129221219 654860963 /nfs/dbraw/zinc/86/09/63/654860963.db2.gz QWMIQKLWIYAMNB-CHWSQXEVSA-N 1 0 375.332 2.771 20 0 GFADRO COc1cc(C[NH2+]C[C@H]2CCC[C@@H]2O)cc(I)c1OC ZINC000266194930 654862253 /nfs/dbraw/zinc/86/22/53/654862253.db2.gz ZWACDOSSDXEHTE-YPMHNXCESA-N 1 0 391.249 2.559 20 0 GFADRO C[NH+]1CCC(N(CCO)C(=O)c2ccc(Br)c(Cl)c2)CC1 ZINC000129401157 654863256 /nfs/dbraw/zinc/86/32/56/654863256.db2.gz FBSMWZZCROICJK-UHFFFAOYSA-N 1 0 375.694 2.631 20 0 GFADRO CC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2ccc(OC)c(Cl)c2Cl)C1 ZINC000266293079 654869501 /nfs/dbraw/zinc/86/95/01/654869501.db2.gz MAQZKKUELYQQRN-NSHDSACASA-N 1 0 381.325 2.964 20 0 GFADRO C[NH+](C)CCCCNC(=O)[C@@H](c1ccc(Cl)cc1Cl)N1CCOCC1 ZINC000266291061 654869578 /nfs/dbraw/zinc/86/95/78/654869578.db2.gz IJYJEFFSIWJPBZ-QGZVFWFLSA-N 1 0 388.339 2.825 20 0 GFADRO Cc1c(C(=O)NC[C@@H]2CCC[NH2+]C2)cnn1-c1ccc(Br)cc1 ZINC000129939395 654878093 /nfs/dbraw/zinc/87/80/93/654878093.db2.gz ZYYGFRRUDYDYPC-CYBMUJFWSA-N 1 0 377.286 2.673 20 0 GFADRO C[NH+](C)CCC(=O)Nc1ccc(NC(=O)c2cncc(Br)c2)cc1 ZINC000065747744 654886104 /nfs/dbraw/zinc/88/61/04/654886104.db2.gz WZXIGUSYSSAGCN-UHFFFAOYSA-N 1 0 391.269 2.987 20 0 GFADRO COc1cc(Br)c(C[NH2+]CCc2nnc3ccccn32)c(OC)c1 ZINC000130291912 654887042 /nfs/dbraw/zinc/88/70/42/654887042.db2.gz TZUNISHABQUQOM-UHFFFAOYSA-N 1 0 391.269 2.841 20 0 GFADRO O=C(N[C@H]1CCOc2ccc(Br)cc21)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000266680552 654889681 /nfs/dbraw/zinc/88/96/81/654889681.db2.gz CMUAIPFVXQUQLM-ZBFHGGJFSA-N 1 0 392.297 2.928 20 0 GFADRO CCN(CC)S(=O)(=O)N(CC[NH+](C)C)Cc1cccc(C(F)(F)F)c1 ZINC000065972261 654891491 /nfs/dbraw/zinc/89/14/91/654891491.db2.gz RTUOWXQWXHLOMM-UHFFFAOYSA-N 1 0 381.464 2.656 20 0 GFADRO CC(=O)N[C@H](CC(=O)NCCC[NH+]1CCCC1)c1ccc(Br)cc1 ZINC000066067674 654893896 /nfs/dbraw/zinc/89/38/96/654893896.db2.gz BWYQFIHNSAEVDG-QGZVFWFLSA-N 1 0 396.329 2.619 20 0 GFADRO COc1ccc(OC)c(C[NH2+]C[C@@H](O)COc2ccccc2Br)c1 ZINC000130994612 654895450 /nfs/dbraw/zinc/89/54/50/654895450.db2.gz YATIFYMURVCKLP-CQSZACIVSA-N 1 0 396.281 2.996 20 0 GFADRO CC[C@H](C)[N@H+](C)CCNC(=O)CSc1nnc(-c2cccs2)n1CC ZINC000066127098 654895802 /nfs/dbraw/zinc/89/58/02/654895802.db2.gz QCMRPPWAGKRYBR-ZDUSSCGKSA-N 1 0 381.571 2.965 20 0 GFADRO O[C@@H](C[NH2+][C@H]1CCCSC1)COc1ccc(I)cc1 ZINC000131364191 654903980 /nfs/dbraw/zinc/90/39/80/654903980.db2.gz WUEGCCLAJYCJSR-STQMWFEESA-N 1 0 393.290 2.516 20 0 GFADRO C[C@H](C(=O)NCCCC[N@@H+]1CCC[C@@H]1CO)c1ccc(Br)s1 ZINC000131429015 654906702 /nfs/dbraw/zinc/90/67/02/654906702.db2.gz GERJLROHDFHGFN-QWHCGFSZSA-N 1 0 389.359 2.967 20 0 GFADRO C[NH+](C)[C@@]1(CNC(=O)CCCc2nc(-c3cccs3)no2)CCSC1 ZINC000267105980 654911379 /nfs/dbraw/zinc/91/13/79/654911379.db2.gz LXSGGPHZOCPTHL-QGZVFWFLSA-N 1 0 380.539 2.674 20 0 GFADRO C[NH+]1CCC(O)(CNC(=O)Cc2csc(-c3ccc(Cl)cc3)n2)CC1 ZINC000267211226 654917396 /nfs/dbraw/zinc/91/73/96/654917396.db2.gz YYNZDISUDUHNMS-UHFFFAOYSA-N 1 0 379.913 2.579 20 0 GFADRO CC[N@H+](CCCNS(=O)(=O)CC)Cc1cc(Br)ccc1F ZINC000131849853 654919096 /nfs/dbraw/zinc/91/90/96/654919096.db2.gz UHWXRCLBWUSHHI-UHFFFAOYSA-N 1 0 381.311 2.740 20 0 GFADRO O=S(=O)(/C=C/c1cccc(Br)c1)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000066911098 654920534 /nfs/dbraw/zinc/92/05/34/654920534.db2.gz TZJZETSKLZYHSJ-ZVYLKZBJSA-N 1 0 385.327 2.966 20 0 GFADRO Cn1c(C[NH2+]CCNC(=O)c2ccc(Br)cc2)nc2ccccc21 ZINC000066974015 654924736 /nfs/dbraw/zinc/92/47/36/654924736.db2.gz HUBKAYDWDRWBHK-UHFFFAOYSA-N 1 0 387.281 2.855 20 0 GFADRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)N(C)C[C@@H](O)c1ccccc1Br ZINC000838426882 661043667 /nfs/dbraw/zinc/04/36/67/661043667.db2.gz IACFIPUCDILHHZ-RHSMWYFYSA-N 1 0 398.345 2.998 20 0 GFADRO CC(C)(C(N)=O)N1CC[NH+](CC/C=C/c2ccc(Br)cc2)CC1 ZINC000267450609 654929340 /nfs/dbraw/zinc/92/93/40/654929340.db2.gz MIEWRGDHWXAFNO-HWKANZROSA-N 1 0 380.330 2.734 20 0 GFADRO COc1ccc(NC(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)cc1Br ZINC000267462162 654929588 /nfs/dbraw/zinc/92/95/88/654929588.db2.gz LUVCQWVBWFPNFA-ZDUSSCGKSA-N 1 0 398.301 2.644 20 0 GFADRO C[N@H+](CCCN1C(=O)CNC1=O)[C@@H]1CCSc2ccc(Br)cc21 ZINC000067117378 654929896 /nfs/dbraw/zinc/92/98/96/654929896.db2.gz UVGKEJCYBVUCBT-CYBMUJFWSA-N 1 0 398.326 2.860 20 0 GFADRO O=C(Cc1cc(F)ccc1Br)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000132500667 654939296 /nfs/dbraw/zinc/93/92/96/654939296.db2.gz GVOBJMYIDZKNAY-AWEZNQCLSA-N 1 0 399.304 2.702 20 0 GFADRO Cc1cc(NC(=O)[C@@H](C)[NH+]2CCC3(CNC(=O)C3)CC2)ccc1Br ZINC000267838436 654948301 /nfs/dbraw/zinc/94/83/01/654948301.db2.gz SZIWUIHPULZPPJ-CYBMUJFWSA-N 1 0 394.313 2.687 20 0 GFADRO COc1c(Cl)cc(NC(=O)C(=O)N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)cc1Cl ZINC000267890020 654950342 /nfs/dbraw/zinc/95/03/42/654950342.db2.gz IJIYIZNDEZTJBO-ONGXEEELSA-N 1 0 386.279 2.682 20 0 GFADRO C[C@@H](CNC(=O)c1cnc(Sc2nccn2C)c(Cl)c1)[N@H+](C)C1CC1 ZINC000068196049 654957619 /nfs/dbraw/zinc/95/76/19/654957619.db2.gz IRUXSEYILZWDLD-NSHDSACASA-N 1 0 379.917 2.832 20 0 GFADRO C[NH+]1CCN(c2cc(C(=O)NCc3cc(Br)cs3)ccn2)CC1 ZINC000068549788 654965522 /nfs/dbraw/zinc/96/55/22/654965522.db2.gz ABKGRVASDXDMRR-UHFFFAOYSA-N 1 0 395.326 2.587 20 0 GFADRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1ccc(F)cc1I ZINC000268293192 654966205 /nfs/dbraw/zinc/96/62/05/654966205.db2.gz ZSTMYYMRFLHTHX-LKFCYVNXSA-N 1 0 388.224 2.643 20 0 GFADRO COc1cc(Br)c(CNc2ccn(CC[NH+](C)C)n2)c(OC)c1 ZINC000133604294 654968165 /nfs/dbraw/zinc/96/81/65/654968165.db2.gz WWYRUZANSBMUGE-UHFFFAOYSA-N 1 0 383.290 2.837 20 0 GFADRO CC(C)[NH+]1CCC(O)(CNC(=O)CSc2nc3ccccc3s2)CC1 ZINC000268420983 654970525 /nfs/dbraw/zinc/97/05/25/654970525.db2.gz ATZMDIMPABGJBU-UHFFFAOYSA-N 1 0 379.551 2.740 20 0 GFADRO C[C@@H](CNS(=O)(=O)c1cc(Br)ccc1Cl)[N@H+](C)C1CC1 ZINC000069129004 654974401 /nfs/dbraw/zinc/97/44/01/654974401.db2.gz FFPDPACDVPASOF-VIFPVBQESA-N 1 0 381.723 2.864 20 0 GFADRO CC(C)[NH+]1CCC(O)(CNC(=O)c2c(F)cc(Br)cc2F)CC1 ZINC000268498769 654975120 /nfs/dbraw/zinc/97/51/20/654975120.db2.gz UNSIEUQCEFXTCT-UHFFFAOYSA-N 1 0 391.256 2.692 20 0 GFADRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2cc(I)ccc2F)C1 ZINC000268533924 654976901 /nfs/dbraw/zinc/97/69/01/654976901.db2.gz QUBJMSLDYLJRKO-LLVKDONJSA-N 1 0 390.240 2.844 20 0 GFADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc2c(cccc2Br)[nH]1 ZINC000069502193 654982156 /nfs/dbraw/zinc/98/21/56/654982156.db2.gz MWHKVDTVZAMQHJ-GFCCVEGCSA-N 1 0 380.286 2.771 20 0 GFADRO CC[C@](C)(CC(=O)OC)[NH2+]CC(=O)N[C@H](C)c1ccc(Br)cc1 ZINC000134089779 654982652 /nfs/dbraw/zinc/98/26/52/654982652.db2.gz YCFFCCXVPATBIY-SJKOYZFVSA-N 1 0 385.302 2.948 20 0 GFADRO C[NH+](C)C/C=C/C(=O)NC1CCN(Cc2ccc(Br)cc2)CC1 ZINC000268718051 654984144 /nfs/dbraw/zinc/98/41/44/654984144.db2.gz NIMUSNFBDGNKAJ-ONEGZZNKSA-N 1 0 380.330 2.648 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)Nc1ccc(CS(C)(=O)=O)cc1)c1ccsc1 ZINC000069619293 654984192 /nfs/dbraw/zinc/98/41/92/654984192.db2.gz VVCDYIHQYDYNAN-MRXNPFEDSA-N 1 0 381.523 2.717 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH2+]CC(=O)NC1CC1 ZINC000069675413 654984852 /nfs/dbraw/zinc/98/48/52/654984852.db2.gz WFXJJHLWRIYHAW-UHFFFAOYSA-N 1 0 377.286 2.620 20 0 GFADRO Cc1ccsc1C[NH2+][C@@H](C)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000268831523 654988580 /nfs/dbraw/zinc/98/85/80/654988580.db2.gz WNAGJGXTUFEQAY-HNNXBMFYSA-N 1 0 380.535 2.928 20 0 GFADRO Cc1ccsc1C[NH2+][C@H](C)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000268831526 654988712 /nfs/dbraw/zinc/98/87/12/654988712.db2.gz WNAGJGXTUFEQAY-OAHLLOKOSA-N 1 0 380.535 2.928 20 0 GFADRO C[C@@H]([NH2+]CC1CCSCC1)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000268895754 654990376 /nfs/dbraw/zinc/99/03/76/654990376.db2.gz PFABSEPROIZNNP-OAHLLOKOSA-N 1 0 384.567 2.501 20 0 GFADRO Cc1c([C@H](C)[NH2+][C@H]2CCC(=O)N(C)C2)nnn1-c1cccc(Br)c1 ZINC000269030919 654995807 /nfs/dbraw/zinc/99/58/07/654995807.db2.gz SCBBEXWCYVDSTD-FZMZJTMJSA-N 1 0 392.301 2.610 20 0 GFADRO C[C@H](NC(=O)c1ccn(-c2cccc(Br)c2)n1)[C@H]1CCC[NH2+]C1 ZINC000269163648 655000474 /nfs/dbraw/zinc/00/04/74/655000474.db2.gz CCEKMYRVXLZSMH-STQMWFEESA-N 1 0 377.286 2.753 20 0 GFADRO C[C@@H]1CN(C(=O)[C@@H](c2ccc(Cl)cc2Cl)N2CCOCC2)CC[C@H]1[NH3+] ZINC000269188795 655001210 /nfs/dbraw/zinc/00/12/10/655001210.db2.gz GTRPHEWACPLUTQ-CSMYWGQOSA-N 1 0 386.323 2.562 20 0 GFADRO [NH3+][C@@H]1CCC[C@H](C(=O)NCc2nnc3c(Cl)cc(C(F)(F)F)cn23)C1 ZINC000269215602 655001936 /nfs/dbraw/zinc/00/19/36/655001936.db2.gz VAQZFARTWGOMPY-WCBMZHEXSA-N 1 0 375.782 2.535 20 0 GFADRO [NH3+][C@H]1CCC[C@@H](C(=O)NCc2nnc3c(Cl)cc(C(F)(F)F)cn23)C1 ZINC000269215601 655001964 /nfs/dbraw/zinc/00/19/64/655001964.db2.gz VAQZFARTWGOMPY-SCZZXKLOSA-N 1 0 375.782 2.535 20 0 GFADRO C[C@@H](NC(=O)c1nn(-c2ccc(F)cc2)cc1Br)[C@@H]1CCC[NH2+]C1 ZINC000269219052 655002185 /nfs/dbraw/zinc/00/21/85/655002185.db2.gz RQUWXZUHCIFOLA-VXGBXAGGSA-N 1 0 395.276 2.892 20 0 GFADRO C[C@H](NC(=O)c1nn(-c2ccc(F)cc2)cc1Br)[C@H]1CCC[NH2+]C1 ZINC000269219051 655002211 /nfs/dbraw/zinc/00/22/11/655002211.db2.gz RQUWXZUHCIFOLA-RYUDHWBXSA-N 1 0 395.276 2.892 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000269233834 655002429 /nfs/dbraw/zinc/00/24/29/655002429.db2.gz WFZWSKBUVUSZDI-KFWWJZLASA-N 1 0 384.567 2.547 20 0 GFADRO Cc1cc(C)c(NC(=O)N[C@@H](C)CN2CC[NH+](C)CC2)c(Br)c1 ZINC000269252865 655003043 /nfs/dbraw/zinc/00/30/43/655003043.db2.gz FFTBPXHZBMKGJL-AWEZNQCLSA-N 1 0 383.334 2.823 20 0 GFADRO O=C(Nc1cccc(Br)c1)C1CC[NH+](CC2(O)CCOCC2)CC1 ZINC000269391603 655008264 /nfs/dbraw/zinc/00/82/64/655008264.db2.gz SDDMEFCQWMAYKI-UHFFFAOYSA-N 1 0 397.313 2.641 20 0 GFADRO Cn1nc(Br)c2c1ncnc2N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000269440543 655009487 /nfs/dbraw/zinc/00/94/87/655009487.db2.gz SJXQZHPPHASCSK-AAEUAGOBSA-N 1 0 391.317 2.579 20 0 GFADRO O[C@H](COc1ccc(Cl)cc1Cl)C[N@@H+]1CCS[C@H]2COCC[C@@H]21 ZINC000135530395 655019511 /nfs/dbraw/zinc/01/95/11/655019511.db2.gz HDGHEOKWZLFXDD-NOLJZWGESA-N 1 0 378.321 2.939 20 0 GFADRO C[C@H]1OCC[C@@H]1S(=O)(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000135581329 655021335 /nfs/dbraw/zinc/02/13/35/655021335.db2.gz JMWDIYBYAJAALC-KDOFPFPSSA-N 1 0 386.945 2.649 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)c1cnn2cc(Br)cnc12)c1ccccc1 ZINC000093902018 655021932 /nfs/dbraw/zinc/02/19/32/655021932.db2.gz FQAJOQYWUBZCOF-HNNXBMFYSA-N 1 0 388.269 2.525 20 0 GFADRO CN(Cc1ccc(Br)o1)C(=O)c1ccnc(OCC[NH+](C)C)c1 ZINC000136406226 655031139 /nfs/dbraw/zinc/03/11/39/655031139.db2.gz YOQVDBZNQHSMEM-UHFFFAOYSA-N 1 0 382.258 2.650 20 0 GFADRO C[C@H](CNC(=O)Nc1cc(F)ccc1Br)C[NH+]1CCN(C)CC1 ZINC000136431013 655031473 /nfs/dbraw/zinc/03/14/73/655031473.db2.gz XSLHNTWPGZCFBF-GFCCVEGCSA-N 1 0 387.297 2.593 20 0 GFADRO C[NH+]1CCC(NC(=O)Nc2cnc(Br)c(Br)c2)CC1 ZINC000136512336 655032483 /nfs/dbraw/zinc/03/24/83/655032483.db2.gz AZJGAKQPDAXZLZ-UHFFFAOYSA-N 1 0 392.095 2.822 20 0 GFADRO CSCC[C@@H]1NC(=S)N(C[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)C1=O ZINC000136525722 655033026 /nfs/dbraw/zinc/03/30/26/655033026.db2.gz QRSRCSKAPOPKFQ-UAGQMJEPSA-N 1 0 377.579 2.735 20 0 GFADRO O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)c1ccc(F)cc1Br ZINC000097590609 655036501 /nfs/dbraw/zinc/03/65/01/655036501.db2.gz GXRUQSLMBQJVEG-GFCCVEGCSA-N 1 0 385.277 2.819 20 0 GFADRO CN(C)S(=O)(=O)c1ccc(C[NH2+]Cc2cnc([C@H]3CCCO3)s2)cc1 ZINC000270280699 655039853 /nfs/dbraw/zinc/03/98/53/655039853.db2.gz YAIMETRQOKUTDC-MRXNPFEDSA-N 1 0 381.523 2.535 20 0 GFADRO CC(C)COC[C@@H](O)C[NH2+][C@@H](C)CC(=O)Nc1ccc(Br)cc1 ZINC000098173705 655041264 /nfs/dbraw/zinc/04/12/64/655041264.db2.gz JCQKDRJUIRBQRL-BBRMVZONSA-N 1 0 387.318 2.789 20 0 GFADRO C[NH+]1CCC(CNC(=O)[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)CC1 ZINC000101522507 655042319 /nfs/dbraw/zinc/04/23/19/655042319.db2.gz VVGUJMMDNZFDAN-AWEZNQCLSA-N 1 0 384.307 2.804 20 0 GFADRO CN(C(=O)C[NH+]1CCC(C(=O)Nc2ccccc2Br)CC1)C1CC1 ZINC000101916464 655048431 /nfs/dbraw/zinc/04/84/31/655048431.db2.gz YNUKSWUKUSPRPB-UHFFFAOYSA-N 1 0 394.313 2.720 20 0 GFADRO CCN1C(=O)CN(CN2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)C1=O ZINC000151563116 655052402 /nfs/dbraw/zinc/05/24/02/655052402.db2.gz HZERVPYEWWUJGS-SNVBAGLBSA-N 1 0 376.404 2.583 20 0 GFADRO CC[C@@](C)(CC(=O)OC)[NH2+]CC(=O)Nc1c(F)cc(F)cc1Br ZINC000151766692 655054296 /nfs/dbraw/zinc/05/42/96/655054296.db2.gz TYEGXBRSXWSFQV-HNNXBMFYSA-N 1 0 393.228 2.987 20 0 GFADRO CC(C)[NH+]1CCC(O)(CNC(=O)[C@H](C)c2ccc(Br)cc2)CC1 ZINC000270935501 655060880 /nfs/dbraw/zinc/06/08/80/655060880.db2.gz IGCKSRBJYFDMCG-CQSZACIVSA-N 1 0 383.330 2.904 20 0 GFADRO CC[NH+]1CCN(CCC(=O)Nc2nnc(-c3ccccc3Cl)s2)CC1 ZINC000102900734 655063239 /nfs/dbraw/zinc/06/32/39/655063239.db2.gz DJARJYGRNQAWIP-UHFFFAOYSA-N 1 0 379.917 2.825 20 0 GFADRO CC(C)C[NH+]1CCC(NC(=O)N[C@H](CO)c2ccc(Br)cc2)CC1 ZINC000271095399 655066654 /nfs/dbraw/zinc/06/66/54/655066654.db2.gz WEPRGDHGNJECEL-QGZVFWFLSA-N 1 0 398.345 2.902 20 0 GFADRO CCC[N@@H+]1CC[C@H](CNC(=O)Nc2cccc(S(=O)(=O)C(F)F)c2)C1 ZINC000103292100 655070763 /nfs/dbraw/zinc/07/07/63/655070763.db2.gz YGKZHOYMHSXVIL-GFCCVEGCSA-N 1 0 375.441 2.536 20 0 GFADRO C[NH+]=C(NCCCNC(=O)c1ccc(Br)cc1)NCc1ccco1 ZINC000103338464 655071488 /nfs/dbraw/zinc/07/14/88/655071488.db2.gz VJLURVIVLJDYDG-UHFFFAOYSA-N 1 0 393.285 2.527 20 0 GFADRO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(Cc2ccc(F)cc2Br)CC1 ZINC000104070060 655078497 /nfs/dbraw/zinc/07/84/97/655078497.db2.gz ABFHQAXHKFOONU-INIZCTEOSA-N 1 0 384.293 2.502 20 0 GFADRO CCOCCCNC(=[NH2+])NC[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000104177172 655079306 /nfs/dbraw/zinc/07/93/06/655079306.db2.gz IKIWKSHXCDORQY-CQSZACIVSA-N 1 0 383.334 2.606 20 0 GFADRO COCc1nc2n(n1)C[C@@H]([NH2+][C@@H]1CCc3cc(Br)ccc31)CC2 ZINC000271542896 655084757 /nfs/dbraw/zinc/08/47/57/655084757.db2.gz UODFXNBMJZIITB-DZGCQCFKSA-N 1 0 377.286 2.779 20 0 GFADRO CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+]C[C@@](C)(O)C(F)(F)F)cc1 ZINC000271578132 655086256 /nfs/dbraw/zinc/08/62/56/655086256.db2.gz WMKZUMYCAXVDNG-IUODEOHRSA-N 1 0 382.448 2.681 20 0 GFADRO CSc1ccc(Cl)cc1NC(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000105020738 655088471 /nfs/dbraw/zinc/08/84/71/655088471.db2.gz KCYRHRZSOIPXAA-LBPRGKRZSA-N 1 0 384.933 2.771 20 0 GFADRO C[NH+](C)[C@@H]1CCCN(C(=O)N[C@H]2CCN(c3ccc(Br)cc3)C2)C1 ZINC000105243443 655089811 /nfs/dbraw/zinc/08/98/11/655089811.db2.gz IRWATIIZSJAYAA-DOTOQJQBSA-N 1 0 395.345 2.763 20 0 GFADRO COc1c(Br)cc(Cl)cc1S(=O)(=O)N1CC[C@@H]([NH3+])C[C@@H]1C ZINC000156161528 655090019 /nfs/dbraw/zinc/09/00/19/655090019.db2.gz LLPPYAGFQYZTHE-WCBMZHEXSA-N 1 0 397.722 2.611 20 0 GFADRO NC(=O)[C@H]([NH2+]CCc1ccc2c(c1)OCO2)c1ccc(Br)cc1 ZINC000105400429 655092338 /nfs/dbraw/zinc/09/23/38/655092338.db2.gz YTSLUTUCRRMJPJ-MRXNPFEDSA-N 1 0 377.238 2.537 20 0 GFADRO C[C@H]1C[C@@H](C(=O)Nc2cc(Br)ccc2N2CC[NH+](C)CC2)CCO1 ZINC000271828964 655095971 /nfs/dbraw/zinc/09/59/71/655095971.db2.gz DPYOXGFSUYWIBA-KBPBESRZSA-N 1 0 396.329 2.955 20 0 GFADRO CS(=O)(=O)c1cccc(Cl)c1C[NH2+]C[C@H]1CCN(CC(F)(F)F)C1 ZINC000272073623 655101781 /nfs/dbraw/zinc/10/17/81/655101781.db2.gz FVBKARXNAUWHPJ-LLVKDONJSA-N 1 0 384.851 2.717 20 0 GFADRO Cc1c(C(=O)NC[C@H]2CCC[N@H+]2C)cnn1-c1cccc(Br)c1 ZINC000106284683 655105740 /nfs/dbraw/zinc/10/57/40/655105740.db2.gz NAJZEHHVNZGUJA-OAHLLOKOSA-N 1 0 377.286 2.767 20 0 GFADRO Brc1cc(C[NH2+]C[C@@H]2CN(C3CC3)CCO2)cc2c1OCCCO2 ZINC000106379433 655107567 /nfs/dbraw/zinc/10/75/67/655107567.db2.gz PYMUJZMAYHWDOP-OAHLLOKOSA-N 1 0 397.313 2.563 20 0 GFADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)c3ccc(Br)cc3C)C2)CC1 ZINC000106807283 655111748 /nfs/dbraw/zinc/11/17/48/655111748.db2.gz YFLFUTBEJRPWFG-MRXNPFEDSA-N 1 0 380.330 2.610 20 0 GFADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)c1cnc(-c2ccccc2Cl)s1 ZINC000106816561 655111873 /nfs/dbraw/zinc/11/18/73/655111873.db2.gz ULCAQGFGQJRNIQ-ZDUSSCGKSA-N 1 0 378.929 2.829 20 0 GFADRO C[C@@H](O)[C@H]1CCCC[N@@H+]1CC(=O)N(C)Cc1cc(Br)cs1 ZINC000106864538 655112892 /nfs/dbraw/zinc/11/28/92/655112892.db2.gz QRJLBRVJTHAVML-BXUZGUMPSA-N 1 0 375.332 2.704 20 0 GFADRO C[N@H+](CCO)C1CCN(C(=O)Nc2c(F)cc(Br)cc2F)CC1 ZINC000272556189 655116060 /nfs/dbraw/zinc/11/60/60/655116060.db2.gz JAROQKVMXQGBDS-UHFFFAOYSA-N 1 0 392.244 2.648 20 0 GFADRO O=C([C@H](O)c1cc(Cl)cc(Cl)c1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000159778098 655116815 /nfs/dbraw/zinc/11/68/15/655116815.db2.gz ADEZUWLSIVOZGO-QGZVFWFLSA-N 1 0 387.307 2.598 20 0 GFADRO C[C@@H](NC(=O)c1c(F)cccc1I)C1=CC[N@H+](C)CC1 ZINC000272645284 655118109 /nfs/dbraw/zinc/11/81/09/655118109.db2.gz DBOYXIDTWDTDEX-SNVBAGLBSA-N 1 0 388.224 2.811 20 0 GFADRO COc1cc(/C=C/C(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)cc(Br)c1O ZINC000272764791 655120769 /nfs/dbraw/zinc/12/07/69/655120769.db2.gz GGDKQKPHAUVRBX-ITKZLYELSA-N 1 0 395.297 2.943 20 0 GFADRO O=C(NC[C@@H]1CC[NH2+]C1)c1ccc(COc2cccc(Br)c2)o1 ZINC000272991270 655127384 /nfs/dbraw/zinc/12/73/84/655127384.db2.gz FOACDKGZAUYGKO-GFCCVEGCSA-N 1 0 379.254 2.960 20 0 GFADRO C[C@@H](CNC(=O)c1sccc1S(=O)(=O)C(F)F)C[NH+]1CCCCC1 ZINC000108260391 655130063 /nfs/dbraw/zinc/13/00/63/655130063.db2.gz HBFQAMOVDUEUJL-NSHDSACASA-N 1 0 380.482 2.596 20 0 GFADRO OC[C@H]([NH2+]C[C@@H](O)COc1ccccc1F)c1cccc(Br)c1 ZINC000273093755 655130088 /nfs/dbraw/zinc/13/00/88/655130088.db2.gz KATWJYOBKATZFM-ZBFHGGJFSA-N 1 0 384.245 2.651 20 0 GFADRO Cn1ncc(C(=O)NC(C)(C)C[N@H+](C)Cc2ccccc2)c1Br ZINC000273173995 655133663 /nfs/dbraw/zinc/13/36/63/655133663.db2.gz FMPUYTBVAXKCRL-UHFFFAOYSA-N 1 0 379.302 2.823 20 0 GFADRO C[NH+]1CCN(c2ccc(NCc3cc(Br)ccc3O)cn2)CC1 ZINC000162873629 655133816 /nfs/dbraw/zinc/13/38/16/655133816.db2.gz UIZJCSJBBUCZER-UHFFFAOYSA-N 1 0 377.286 2.914 20 0 GFADRO Cn1ncc(C(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)c1Br ZINC000273203160 655134971 /nfs/dbraw/zinc/13/49/71/655134971.db2.gz KGCXEJOQWXAJNJ-GFCCVEGCSA-N 1 0 397.342 2.886 20 0 GFADRO C[C@H]1C[C@H](NC(=O)c2cnn(C)c2Br)CC[N@@H+]1Cc1ccccc1 ZINC000273264540 655136977 /nfs/dbraw/zinc/13/69/77/655136977.db2.gz UEVMDFQIFMMQNR-DZGCQCFKSA-N 1 0 391.313 2.966 20 0 GFADRO C[N@@H+]1CCC[C@H]2CN(Cn3nnn(-c4ccc(Cl)cc4)c3=S)CC[C@@H]21 ZINC000164683070 655138417 /nfs/dbraw/zinc/13/84/17/655138417.db2.gz VGJLKRZONVGXJW-BBRMVZONSA-N 1 0 378.933 2.825 20 0 GFADRO CS(=O)(=O)c1cccc(Cl)c1C[NH2+]CCc1ccc2c(c1)OCCO2 ZINC000273394188 655141824 /nfs/dbraw/zinc/14/18/24/655141824.db2.gz IWULSBOWWRBFHC-UHFFFAOYSA-N 1 0 381.881 2.847 20 0 GFADRO C[C@H](CNC(=O)C(=O)Nc1cc(Cl)c(N)c(Cl)c1)[N@@H+]1CCCC[C@@H]1C ZINC000839459144 661085360 /nfs/dbraw/zinc/08/53/60/661085360.db2.gz KUOARMAQSHSNOC-WDEREUQCSA-N 1 0 387.311 2.893 20 0 GFADRO CCOC(=O)C1CC[NH+](Cn2ccc(=O)c3cccc(Br)c32)CC1 ZINC000170686087 655145224 /nfs/dbraw/zinc/14/52/24/655145224.db2.gz FWCYLOKDFZFRFV-UHFFFAOYSA-N 1 0 393.281 2.997 20 0 GFADRO O=S(=O)(c1c(Cl)nc2ccccn21)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000170787072 655145965 /nfs/dbraw/zinc/14/59/65/655145965.db2.gz OTHUUBCGHTVOSY-CQSZACIVSA-N 1 0 382.917 2.627 20 0 GFADRO C[NH+](C)C[C@H]1CCCN1C(=O)c1ncc(Br)cc1Br ZINC000273559208 655148165 /nfs/dbraw/zinc/14/81/65/655148165.db2.gz DAALBWGUVCHCRS-SNVBAGLBSA-N 1 0 391.107 2.773 20 0 GFADRO Cc1cc(NC(=O)C[N@@H+]2CCC[C@H](C3OCCO3)C2)ccc1Br ZINC000171375541 655151246 /nfs/dbraw/zinc/15/12/46/655151246.db2.gz HYHTUADDHDFTKG-ZDUSSCGKSA-N 1 0 383.286 2.781 20 0 GFADRO CCOCC[NH+]1CCN(Cn2nc3sc4ccccc4n3c2=S)CC1 ZINC000111164123 655165880 /nfs/dbraw/zinc/16/58/80/655165880.db2.gz GEEPFJMPCLAJGI-UHFFFAOYSA-N 1 0 377.539 2.692 20 0 GFADRO C[C@H]1C[C@H](N(C)S(=O)(=O)c2ccc(F)cc2Br)CC[N@@H+]1C ZINC000173269223 655166005 /nfs/dbraw/zinc/16/60/05/655166005.db2.gz XKOXQGRIYJQJQD-CMPLNLGQSA-N 1 0 379.295 2.691 20 0 GFADRO C[C@@H]1C[C@H](N(C)S(=O)(=O)c2cc(Br)cnc2Cl)CC[N@@H+]1C ZINC000173272041 655166307 /nfs/dbraw/zinc/16/63/07/655166307.db2.gz JCWXIEUXRZYHFX-MWLCHTKSSA-N 1 0 396.738 2.601 20 0 GFADRO COCCC[N@H+](CCCOc1cccc(Cl)c1)[C@H]1CCS(=O)(=O)C1 ZINC000111233601 655167091 /nfs/dbraw/zinc/16/70/91/655167091.db2.gz ITNJYHSMSPNHBR-INIZCTEOSA-N 1 0 375.918 2.635 20 0 GFADRO C[C@@H](C(=O)NC(=O)NCC(F)(F)F)[N@@H+]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000111306226 655168236 /nfs/dbraw/zinc/16/82/36/655168236.db2.gz XZNNRFIXKZADPJ-JQWIXIFHSA-N 1 0 377.794 2.906 20 0 GFADRO Cc1ccc(O)c(C[NH2+]CCC(=O)N(C)Cc2ccccc2Br)n1 ZINC000111391106 655172502 /nfs/dbraw/zinc/17/25/02/655172502.db2.gz FRBNLUMGHCLGAU-UHFFFAOYSA-N 1 0 392.297 2.996 20 0 GFADRO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@H]1N2C(=O)c1cnn(C)c1Br ZINC000274107316 655173211 /nfs/dbraw/zinc/17/32/11/655173211.db2.gz UXMHHNYOKMIDJM-GDBMZVCRSA-N 1 0 389.297 2.939 20 0 GFADRO C[C@H](CNC(=O)COc1ccc(C=O)cc1Br)C[NH+]1CCCCC1 ZINC000173672797 655175974 /nfs/dbraw/zinc/17/59/74/655175974.db2.gz BAPWPKHACVVKLS-CQSZACIVSA-N 1 0 397.313 2.879 20 0 GFADRO O=C(CC[N@@H+]1CCC[C@@H]1CN1CCOCC1)Nc1cccc(Br)c1 ZINC000173690009 655176212 /nfs/dbraw/zinc/17/62/12/655176212.db2.gz PYETYAATQVQLTK-QGZVFWFLSA-N 1 0 396.329 2.574 20 0 GFADRO CC1CC[NH+](C[C@@H](O)CNC(=O)Nc2cc(Br)ccc2F)CC1 ZINC000111772552 655177214 /nfs/dbraw/zinc/17/72/14/655177214.db2.gz QBEDOGHYJFOFRH-ZDUSSCGKSA-N 1 0 388.281 2.803 20 0 GFADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)N(C)CCc1ccc(Br)cc1 ZINC000111866210 655178490 /nfs/dbraw/zinc/17/84/90/655178490.db2.gz FDYCHAALNSIKJF-KRWDZBQOSA-N 1 0 398.345 2.744 20 0 GFADRO CN(C(=O)c1cnn(C)c1Br)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274285349 655183578 /nfs/dbraw/zinc/18/35/78/655183578.db2.gz ZNFPEIGKBIWNCD-AWEZNQCLSA-N 1 0 377.286 2.529 20 0 GFADRO CC[N@H+](CC1CC1)CN1C(=O)N[C@@](C)(c2ccc(Br)s2)C1=O ZINC000112199987 655184420 /nfs/dbraw/zinc/18/44/20/655184420.db2.gz FHCFYEWPXDJVOI-HNNXBMFYSA-N 1 0 386.315 2.967 20 0 GFADRO COC(=O)C1CC[NH+](CCCNC(=O)c2cc(C)cc(Br)c2)CC1 ZINC000274309865 655184591 /nfs/dbraw/zinc/18/45/91/655184591.db2.gz WZBTUCHGSCZDIW-UHFFFAOYSA-N 1 0 397.313 2.762 20 0 GFADRO C[C@@H]([NH2+]CCc1cn2c(n1)SCC2)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000274353380 655185721 /nfs/dbraw/zinc/18/57/21/655185721.db2.gz GRXMNZJSJKIHAH-LLVKDONJSA-N 1 0 387.477 2.878 20 0 GFADRO C[NH+](C)CCn1nnnc1SCc1cc(Br)ccc1Cl ZINC000112562325 655193596 /nfs/dbraw/zinc/19/35/96/655193596.db2.gz DGSFFTLJPXCPOD-UHFFFAOYSA-N 1 0 376.711 2.943 20 0 GFADRO Cc1ccc(Cl)c(S(=O)(=O)N[C@@H](C)CCN2CC[NH+](C)CC2)c1Cl ZINC000274664601 655196136 /nfs/dbraw/zinc/19/61/36/655196136.db2.gz PTXCSYDMSNNRJK-ZDUSSCGKSA-N 1 0 394.368 2.606 20 0 GFADRO NC(=O)[C@]1(c2ccccc2)CC[N@H+](C[C@H](O)c2ccc(Br)cc2)C1 ZINC000839643169 661098417 /nfs/dbraw/zinc/09/84/17/661098417.db2.gz PJCDHQPWNOBHSZ-PKOBYXMFSA-N 1 0 389.293 2.612 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)c2cccnc2Nc2ccc(Cl)c(Cl)c2)CCO1 ZINC000274754525 655199984 /nfs/dbraw/zinc/19/99/84/655199984.db2.gz HGFHMFUGYQGAEP-LBPRGKRZSA-N 1 0 381.263 2.932 20 0 GFADRO COC[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(I)cc2)C1 ZINC000112990510 655201171 /nfs/dbraw/zinc/20/11/71/655201171.db2.gz DCCVYCGRKWMASH-GFCCVEGCSA-N 1 0 388.249 2.588 20 0 GFADRO CCn1nc(C)c(C[NH2+]CCNC(=O)c2cccc(Br)c2)c1C ZINC000113354560 655208547 /nfs/dbraw/zinc/20/85/47/655208547.db2.gz SJHFCFYGKDPENW-UHFFFAOYSA-N 1 0 379.302 2.802 20 0 GFADRO O=C(CC[N@H+]1CC[C@H](C(=O)NCC(F)(F)F)C1)Nc1ccccc1Cl ZINC000275092752 655216201 /nfs/dbraw/zinc/21/62/01/655216201.db2.gz IIVPBWJHBGUBFX-NSHDSACASA-N 1 0 377.794 2.669 20 0 GFADRO CCC[N@H+](CC)CCNS(=O)(=O)c1cc(Br)cnc1Cl ZINC000175361716 655220516 /nfs/dbraw/zinc/22/05/16/655220516.db2.gz AIULLPMZWPVJBG-UHFFFAOYSA-N 1 0 384.727 2.508 20 0 GFADRO C[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)C1 ZINC000114398882 655223287 /nfs/dbraw/zinc/22/32/87/655223287.db2.gz HHRXUVUMRLTHFE-JSGCOSHPSA-N 1 0 384.307 2.756 20 0 GFADRO CC[N@H+](C[C@@H](O)COc1ccc(Cl)cc1Br)CC(C)(C)O ZINC000114487472 655224819 /nfs/dbraw/zinc/22/48/19/655224819.db2.gz SAZMVRLQDWAZRV-GFCCVEGCSA-N 1 0 380.710 2.935 20 0 GFADRO CC[N@H+](C[C@H](O)COc1ccc(Cl)cc1Br)CC(C)(C)O ZINC000114487470 655224885 /nfs/dbraw/zinc/22/48/85/655224885.db2.gz SAZMVRLQDWAZRV-LBPRGKRZSA-N 1 0 380.710 2.935 20 0 GFADRO O=C(NCCC[NH+]1CCCCCC1)c1cc(I)c[nH]1 ZINC000115321977 655234982 /nfs/dbraw/zinc/23/49/82/655234982.db2.gz LGPIINVIFRNVAV-UHFFFAOYSA-N 1 0 375.254 2.615 20 0 GFADRO CCn1cc(Br)cc1C(=O)NCCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000176131030 655236152 /nfs/dbraw/zinc/23/61/52/655236152.db2.gz MJYIUIZGLHGFNH-KBPBESRZSA-N 1 0 386.334 2.890 20 0 GFADRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)/C=C/c1ccc(I)o1 ZINC000115443832 655237523 /nfs/dbraw/zinc/23/75/23/655237523.db2.gz JKJQUYWKFWTWSB-WAFBPQNNSA-N 1 0 388.249 2.698 20 0 GFADRO CC1(C)C[N@H+](C[C@H](O)COc2ccc(Cl)cc2Br)CC[C@H]1O ZINC000275507226 655239249 /nfs/dbraw/zinc/23/92/49/655239249.db2.gz SBNOPJOOMHXBCI-SWLSCSKDSA-N 1 0 392.721 2.935 20 0 GFADRO C[C@@H](CNC(=O)Cn1c(=S)[nH]nc1-c1cccs1)C[NH+]1CCCCC1 ZINC000115903237 655242783 /nfs/dbraw/zinc/24/27/83/655242783.db2.gz OVCYIQVUMRJPBD-ZDUSSCGKSA-N 1 0 379.555 2.907 20 0 GFADRO CCO[C@@H]1C[C@@]([NH3+])(C(=O)NC[C@H](C)Oc2ccc(Br)cc2)C1(C)C ZINC000275690733 655247323 /nfs/dbraw/zinc/24/73/23/655247323.db2.gz DKCAVRZLJTULHL-WBHUJUFNSA-N 1 0 399.329 2.865 20 0 GFADRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)c1cc(=O)[nH]c2c(Br)cccc12 ZINC000176587019 655250094 /nfs/dbraw/zinc/25/00/94/655250094.db2.gz HPHIEHHELLKWAM-GFCCVEGCSA-N 1 0 392.297 2.704 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)C(=O)N(C)[C@H](C)C1CC[NH+](C)CC1 ZINC000275847134 655253306 /nfs/dbraw/zinc/25/33/06/655253306.db2.gz KPDDBTZQOZRRHI-CYBMUJFWSA-N 1 0 396.329 2.885 20 0 GFADRO COCC[NH2+]CCCNC(=O)C(=O)Nc1cccc(Cl)c1SC(C)C ZINC000275907971 655255482 /nfs/dbraw/zinc/25/54/82/655255482.db2.gz QJVSDZUIQRAWTH-UHFFFAOYSA-N 1 0 387.933 2.521 20 0 GFADRO CSc1nc2ccc(NC(=O)C(=O)N(C)CC[N@H+](C)C3CC3)cc2s1 ZINC000275922853 655255716 /nfs/dbraw/zinc/25/57/16/655255716.db2.gz MLHGCAZOSKKOGY-UHFFFAOYSA-N 1 0 378.523 2.509 20 0 GFADRO COc1ccc(C(=O)NCC2([NH+](C)C)CCC2)c(I)c1 ZINC000275998471 655258248 /nfs/dbraw/zinc/25/82/48/655258248.db2.gz OIWXQUWLSZAACJ-UHFFFAOYSA-N 1 0 388.249 2.514 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)c(Br)c1 ZINC000276020170 655259027 /nfs/dbraw/zinc/25/90/27/655259027.db2.gz KPHDSTMYVJZWIM-DZGCQCFKSA-N 1 0 396.329 2.803 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C)C[C@H]2C)c(Br)c1 ZINC000276020179 655259079 /nfs/dbraw/zinc/25/90/79/655259079.db2.gz KPHDSTMYVJZWIM-HIFRSBDPSA-N 1 0 396.329 2.803 20 0 GFADRO COc1ccc(Br)cc1NC(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000176911209 655260870 /nfs/dbraw/zinc/26/08/70/655260870.db2.gz BZYLMRZJCSJJJW-ZDUSSCGKSA-N 1 0 398.301 2.644 20 0 GFADRO COc1c(Cl)cc(NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C)C[C@H]2C)cc1Cl ZINC000276139294 655264247 /nfs/dbraw/zinc/26/42/47/655264247.db2.gz UKSAUOGCPNHBFR-QMTHXVAHSA-N 1 0 388.295 2.739 20 0 GFADRO CCN(CCC[NH+](C)C)C(=O)CSc1nnc(-c2cccs2)n1CC ZINC000276188280 655266465 /nfs/dbraw/zinc/26/64/65/655266465.db2.gz IHXIEFLDXDPCFJ-UHFFFAOYSA-N 1 0 381.571 2.919 20 0 GFADRO C[C@H](Cc1ccc(Cl)cc1)[N@H+](C)CCC(=O)NC(=O)NCC(F)(F)F ZINC000177086776 655267732 /nfs/dbraw/zinc/26/77/32/655267732.db2.gz QCLDSJISQODRKI-LLVKDONJSA-N 1 0 379.810 2.981 20 0 GFADRO CCn1cc(Br)cc1C(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000177102890 655268503 /nfs/dbraw/zinc/26/85/03/655268503.db2.gz UYWWBAMBEGTBQZ-UHFFFAOYSA-N 1 0 386.334 2.843 20 0 GFADRO CCC(CC)[C@@H](CNC(=O)C(=O)Nc1cccc(Br)c1)[NH+](C)C ZINC000118099289 655271649 /nfs/dbraw/zinc/27/16/49/655271649.db2.gz DLNNMFXCYAFEQQ-OAHLLOKOSA-N 1 0 384.318 2.870 20 0 GFADRO Cc1cc(NC(=O)C(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)ccc1Br ZINC000118112435 655271883 /nfs/dbraw/zinc/27/18/83/655271883.db2.gz GLCCUSWBLWQZDA-AWEZNQCLSA-N 1 0 396.329 2.933 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C1CC1 ZINC000118103311 655271893 /nfs/dbraw/zinc/27/18/93/655271893.db2.gz XRYQQQYYLDUNLO-CYBMUJFWSA-N 1 0 377.794 2.754 20 0 GFADRO CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)Nc1ccc(Br)c(C)c1 ZINC000118126363 655272031 /nfs/dbraw/zinc/27/20/31/655272031.db2.gz RBCGFQJECQXNGZ-AWEZNQCLSA-N 1 0 382.302 2.687 20 0 GFADRO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1c(C)cc(Br)cc1C ZINC000118117681 655272170 /nfs/dbraw/zinc/27/21/70/655272170.db2.gz ZIPBZVJOTPITCK-CYBMUJFWSA-N 1 0 384.318 2.851 20 0 GFADRO COC(=O)CCCCCS(=O)(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000276431269 655275645 /nfs/dbraw/zinc/27/56/45/655275645.db2.gz DCHDNVVHQNZKBY-OAHLLOKOSA-N 1 0 388.555 2.538 20 0 GFADRO Cc1nccn1CC[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000276631834 655281478 /nfs/dbraw/zinc/28/14/78/655281478.db2.gz GKJPXDVSACSYOP-UHFFFAOYSA-N 1 0 379.302 2.580 20 0 GFADRO O=S(=O)(Cc1ccc(Cl)c(F)c1)NCC1([NH+]2CCCC2)CCOCC1 ZINC000276635718 655281646 /nfs/dbraw/zinc/28/16/46/655281646.db2.gz WTOMMLTYZSWNOY-UHFFFAOYSA-N 1 0 390.908 2.544 20 0 GFADRO C[N@@H+]1CCC[C@H](CNC(=O)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)C1 ZINC000118898332 655283310 /nfs/dbraw/zinc/28/33/10/655283310.db2.gz AKILQWOAVSDAGA-SNVBAGLBSA-N 1 0 377.794 2.755 20 0 GFADRO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CCCO[C@H]1CCOC1 ZINC000119031137 655287283 /nfs/dbraw/zinc/28/72/83/655287283.db2.gz OQAKCXRRIHZQSZ-CJNGLKHVSA-N 1 0 385.302 2.951 20 0 GFADRO CC1CC[NH+](CCCNC(=O)N[C@H](CO)c2cccc(Br)c2)CC1 ZINC000177891937 655290314 /nfs/dbraw/zinc/29/03/14/655290314.db2.gz WZGVWOBCPFEEEC-QGZVFWFLSA-N 1 0 398.345 2.904 20 0 GFADRO NC(=O)[C@H]1CCCN1CCC[NH2+]Cc1cc(Br)c(Cl)s1 ZINC000276991414 655296904 /nfs/dbraw/zinc/29/69/04/655296904.db2.gz WIVWQISDJROOBR-LLVKDONJSA-N 1 0 380.739 2.593 20 0 GFADRO COc1ccc(C[NH2+]C2CCN(c3cccnn3)CC2)c(Br)c1O ZINC000277002887 655297744 /nfs/dbraw/zinc/29/77/44/655297744.db2.gz KEADXYGUQUBJKC-UHFFFAOYSA-N 1 0 393.285 2.712 20 0 GFADRO Cc1csc(=O)n1CC[NH2+][C@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000277128198 655304513 /nfs/dbraw/zinc/30/45/13/655304513.db2.gz YHUGTGVQPDTAPW-GOEBONIOSA-N 1 0 383.876 2.572 20 0 GFADRO Cc1cc(NC(=O)C(=O)N2CCC[C@H]([NH+](C)C)CC2)ccc1Br ZINC000277148102 655305362 /nfs/dbraw/zinc/30/53/62/655305362.db2.gz QLDUEIJNVOIGBI-AWEZNQCLSA-N 1 0 382.302 2.639 20 0 GFADRO [NH3+]C[C@@H](NS(=O)(=O)c1cc(Br)cnc1Cl)C1CCCCC1 ZINC000178960721 655310899 /nfs/dbraw/zinc/31/08/99/655310899.db2.gz XPNGLEASULBELA-LLVKDONJSA-N 1 0 396.738 2.683 20 0 GFADRO CC[N@H+](C)[C@@H](C(=O)N1CCn2c(Br)cnc2C1)c1ccccc1 ZINC000277337650 655313576 /nfs/dbraw/zinc/31/35/76/655313576.db2.gz FGAVYUSFVZNDDF-MRXNPFEDSA-N 1 0 377.286 2.681 20 0 GFADRO Cc1c(Br)cc(C(=O)Nc2ccc(C[NH+](C)C)cc2)c(=O)n1C ZINC000277378482 655315736 /nfs/dbraw/zinc/31/57/36/655315736.db2.gz IDYHOABYTQCHPE-UHFFFAOYSA-N 1 0 378.270 2.770 20 0 GFADRO CN(C(=O)c1ccc(Br)o1)c1ccccc1C(=O)NCC[NH+](C)C ZINC000119842268 655317972 /nfs/dbraw/zinc/31/79/72/655317972.db2.gz YCXUYUDUSFTKIK-UHFFFAOYSA-N 1 0 394.269 2.610 20 0 GFADRO CC1(C[NH2+]Cc2ccc(Br)cc2N2CCOCC2)OCCCO1 ZINC000277427717 655318931 /nfs/dbraw/zinc/31/89/31/655318931.db2.gz NEZIXJYPROCVMR-UHFFFAOYSA-N 1 0 385.302 2.528 20 0 GFADRO COCC[N@@H+]1CC[C@@H](NC(=O)Nc2c(F)cc(F)cc2Br)C1 ZINC000277456805 655320130 /nfs/dbraw/zinc/32/01/30/655320130.db2.gz PXULJVRFLIDRAJ-SNVBAGLBSA-N 1 0 378.217 2.570 20 0 GFADRO O[C@@H](COc1c(Cl)cccc1Cl)C[N@@H+]1CCC[C@H](Cn2ccnn2)C1 ZINC000119910148 655320823 /nfs/dbraw/zinc/32/08/23/655320823.db2.gz YCOQFJCJWIRBGD-UONOGXRCSA-N 1 0 385.295 2.737 20 0 GFADRO COc1cc(/C=C/C(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cc(Br)c1O ZINC000180142790 655322844 /nfs/dbraw/zinc/32/28/44/655322844.db2.gz VATVMMWFPCSUTK-OHWDUHJYSA-N 1 0 395.297 2.918 20 0 GFADRO Brc1cccc(-c2c[nH]c(C[NH2+]CC3(N4CCOCC4)CC3)n2)c1 ZINC000277494686 655322768 /nfs/dbraw/zinc/32/27/68/655322768.db2.gz OEENDCJGJNUQOC-UHFFFAOYSA-N 1 0 391.313 2.794 20 0 GFADRO C[NH+](C)CCn1ccc(NC(=O)c2cc3c(cccc3Br)[nH]2)n1 ZINC000119967608 655323074 /nfs/dbraw/zinc/32/30/74/655323074.db2.gz PPORVIKYMGXXBV-UHFFFAOYSA-N 1 0 376.258 2.941 20 0 GFADRO C[C@@H]1C[C@H](C)CN(S(=O)(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)C1 ZINC000119963170 655323081 /nfs/dbraw/zinc/32/30/81/655323081.db2.gz NSHRYEPOBZVBAK-BBWFWOEESA-N 1 0 385.599 2.772 20 0 GFADRO Cc1c(Br)cc(C(=O)N2CCC(CCC[NH+](C)C)CC2)c(=O)n1C ZINC000277512885 655323898 /nfs/dbraw/zinc/32/38/98/655323898.db2.gz ULGZHMMUMYTCEU-UHFFFAOYSA-N 1 0 398.345 2.650 20 0 GFADRO O=C(NC[C@H]1CCCC[N@@H+]1C1CC1)C(=O)Nc1ccccc1Br ZINC000277521830 655324481 /nfs/dbraw/zinc/32/44/81/655324481.db2.gz OBKGRQUDEBTPMT-CYBMUJFWSA-N 1 0 380.286 2.521 20 0 GFADRO CC(C)S(=O)(=O)CCC[NH2+][C@@H]1CCCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000120059450 655326222 /nfs/dbraw/zinc/32/62/22/655326222.db2.gz COLNPFLGCVNSFL-HZPDHXFCSA-N 1 0 376.563 2.873 20 0 GFADRO NC(=O)[C@@H](c1ccc(Br)cc1F)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000120131886 655328881 /nfs/dbraw/zinc/32/88/81/655328881.db2.gz NCXZHBZDNKBLPH-XJKSGUPXSA-N 1 0 384.293 2.675 20 0 GFADRO CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+]CC2([S@@](C)=O)CCC2)cc1 ZINC000281137244 655332730 /nfs/dbraw/zinc/33/27/30/655332730.db2.gz UFNDEYZFLKBZRA-OYLFLEFRSA-N 1 0 386.583 2.669 20 0 GFADRO C[N@@H+]1CCN(CCNC(=O)C(C)(C)c2ccccc2Br)CC1(C)C ZINC000281863179 655339273 /nfs/dbraw/zinc/33/92/73/655339273.db2.gz VOLRGVUPBVNYCO-UHFFFAOYSA-N 1 0 396.373 2.869 20 0 GFADRO C[N@@H+]1CCN(CCNC(=O)CCc2ccccc2Br)CC1(C)C ZINC000281866831 655339411 /nfs/dbraw/zinc/33/94/11/655339411.db2.gz VWPMFGZNRFFWGG-UHFFFAOYSA-N 1 0 382.346 2.524 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000120600758 655340154 /nfs/dbraw/zinc/34/01/54/655340154.db2.gz BGFMBFGXSFJDIX-XJKSGUPXSA-N 1 0 394.313 2.639 20 0 GFADRO CCO[C@@H]1C[C@H]([NH2+]C2CCN(S(=O)(=O)C(F)(F)F)CC2)C1(CC)CC ZINC000181884227 655340893 /nfs/dbraw/zinc/34/08/93/655340893.db2.gz YSVZWSFUGLBURD-UONOGXRCSA-N 1 0 386.480 2.874 20 0 GFADRO Cn1nccc1CCC(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000120686603 655342430 /nfs/dbraw/zinc/34/24/30/655342430.db2.gz CHKLVHSVZWDGPA-UHFFFAOYSA-N 1 0 393.329 2.706 20 0 GFADRO C=C(C)CN(C)CN1C(=O)N[C@@](C)(c2ccc(F)cc2Br)C1=O ZINC000182630580 655345755 /nfs/dbraw/zinc/34/57/55/655345755.db2.gz CWXOFNZHIBVYKH-INIZCTEOSA-N 1 0 384.249 2.821 20 0 GFADRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)N[C@@H](CO)c2cccc(Br)c2)C1 ZINC000120876994 655345870 /nfs/dbraw/zinc/34/58/70/655345870.db2.gz UFWKHZUMPFYDAL-PBHICJAKSA-N 1 0 398.345 2.760 20 0 GFADRO Cc1cc(Cl)cc(C[NH2+]CCOc2ccc(NS(C)(=O)=O)cc2)c1O ZINC000182682528 655346537 /nfs/dbraw/zinc/34/65/37/655346537.db2.gz XQIBMRWWOWAXEX-UHFFFAOYSA-N 1 0 384.885 2.894 20 0 GFADRO COC[C@H]1CC[N@H+](CN2C(=O)C[C@@](C)(c3ccc(Cl)c(Cl)c3)C2=O)C1 ZINC000840008209 661123841 /nfs/dbraw/zinc/12/38/41/661123841.db2.gz SJDAOGKIDROICA-SGTLLEGYSA-N 1 0 385.291 2.936 20 0 GFADRO O=C(NC[C@@H]1CCCN(Cc2ccc(Br)cn2)C1)C(F)(F)F ZINC000289442452 655349389 /nfs/dbraw/zinc/34/93/89/655349389.db2.gz KHGSKCOHNILLKW-JTQLQIEISA-N 1 0 380.208 2.735 20 0 GFADRO C[C@]([NH3+])(C(=O)NCC[C@H](O)c1ccccc1)c1ccc(Br)cc1 ZINC000293968721 655363398 /nfs/dbraw/zinc/36/33/98/655363398.db2.gz APVRFXKTCBOMGX-FUHWJXTLSA-N 1 0 377.282 2.863 20 0 GFADRO Cn1ncc(Br)c1C(=O)NC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000297066395 655369352 /nfs/dbraw/zinc/36/93/52/655369352.db2.gz JGNQYOLLCBXNCL-UHFFFAOYSA-N 1 0 379.302 2.823 20 0 GFADRO CCOC(=O)N1CC[C@@H]([NH2+][C@@H](C)CC(=O)Nc2cccc(Br)c2)C1 ZINC000186451903 655369624 /nfs/dbraw/zinc/36/96/24/655369624.db2.gz JLSUHGZMMVSVSB-SWLSCSKDSA-N 1 0 398.301 2.987 20 0 GFADRO CN(Cc1ccc(Cl)s1)C(=O)C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000297669812 655371196 /nfs/dbraw/zinc/37/11/96/655371196.db2.gz GAEDCKNBTJZIDB-AWEZNQCLSA-N 1 0 383.945 2.837 20 0 GFADRO CC1(C)CC(NC(=O)C(=O)Nc2cc(Cl)c(N)c(Cl)c2)CC(C)(C)[NH2+]1 ZINC000298000226 655371930 /nfs/dbraw/zinc/37/19/30/655371930.db2.gz XWHDRTQTAFYRSF-UHFFFAOYSA-N 1 0 387.311 2.940 20 0 GFADRO C[C@H]([NH2+]CCC(=O)Nc1sccc1C(N)=O)c1ccc(Br)cn1 ZINC000298601061 655373340 /nfs/dbraw/zinc/37/33/40/655373340.db2.gz SJAKFTQJEDGAQR-VIFPVBQESA-N 1 0 397.298 2.684 20 0 GFADRO O=C(Cn1cc(Br)cn1)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000299424447 655375781 /nfs/dbraw/zinc/37/57/81/655375781.db2.gz JATUIRNNTPVHKJ-UHFFFAOYSA-N 1 0 397.342 2.736 20 0 GFADRO COc1ccc(I)c(NC(=O)NC2CC[NH+](C)CC2)c1 ZINC000299478443 655376571 /nfs/dbraw/zinc/37/65/71/655376571.db2.gz ATJUZZOSAKLSDV-UHFFFAOYSA-N 1 0 389.237 2.516 20 0 GFADRO CC[C@H]([NH2+]CC1CN(S(C)(=O)=O)C1)c1cc(F)cc(Br)c1 ZINC000187811321 655376695 /nfs/dbraw/zinc/37/66/95/655376695.db2.gz TYPRJSZWFOTGGU-AWEZNQCLSA-N 1 0 379.295 2.520 20 0 GFADRO Cn1cncc1CCCn1cc(Br)cc(Br)c1=O ZINC000314376033 655380230 /nfs/dbraw/zinc/38/02/30/655380230.db2.gz PXZLNKOMJFEIJC-UHFFFAOYSA-N 1 0 375.064 2.740 20 0 GFADRO COc1ccc(S(=O)(=O)NC[C@H](C)[NH+]2CCCCC2)cc1Br ZINC000314932147 655380796 /nfs/dbraw/zinc/38/07/96/655380796.db2.gz PGCTWUJRSZGLLX-LBPRGKRZSA-N 1 0 391.331 2.610 20 0 GFADRO CC1(CC[NH2+]Cc2ccc(Br)cc2N2CCOCC2)OCCO1 ZINC000188762191 655381890 /nfs/dbraw/zinc/38/18/90/655381890.db2.gz JPYRNWLYQIHFHY-UHFFFAOYSA-N 1 0 385.302 2.528 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)NOCc2ccc(F)cc2Br)C[N@@H+]1C1CC1 ZINC000189220426 655385361 /nfs/dbraw/zinc/38/53/61/655385361.db2.gz IINYTTWFJVGWJU-ZWNOBZJWSA-N 1 0 386.265 2.944 20 0 GFADRO CC[C@@H]1C[N@H+](C)CCN1CN1CC[C@H](c2cccc(Br)c2)C1=O ZINC000840090480 661131617 /nfs/dbraw/zinc/13/16/17/661131617.db2.gz GIBKLYBVIDSGRF-IAGOWNOFSA-N 1 0 380.330 2.749 20 0 GFADRO CCn1cc(S(=O)(=O)NC[C@H]2CC[N@H+](C)[C@H]2c2cccc(Cl)c2)cn1 ZINC000363218241 655391738 /nfs/dbraw/zinc/39/17/38/655391738.db2.gz GUINNWIFNWSIGH-PBHICJAKSA-N 1 0 382.917 2.528 20 0 GFADRO Cc1cc(Br)ccc1C[NH2+]C[C@H]1CCC[C@@]12NC(=O)N(C)C2=O ZINC000366035795 655398309 /nfs/dbraw/zinc/39/83/09/655398309.db2.gz WJUPEYCIVNMEND-CXAGYDPISA-N 1 0 380.286 2.568 20 0 GFADRO COCC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(Br)c(Cl)c2)C1 ZINC000398885723 655402547 /nfs/dbraw/zinc/40/25/47/655402547.db2.gz GEISKZIYLSRRKB-GFCCVEGCSA-N 1 0 375.694 2.943 20 0 GFADRO COCC[N@@H+]1CCC[C@@H](NC(=O)c2c(F)cc(Br)cc2F)C1 ZINC000398939255 655402573 /nfs/dbraw/zinc/40/25/73/655402573.db2.gz WYPWEXRCYUMXCA-LLVKDONJSA-N 1 0 377.229 2.568 20 0 GFADRO Cn1nc(Br)cc1C(=O)NC[C@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000192118679 655402645 /nfs/dbraw/zinc/40/26/45/655402645.db2.gz AGHMKMYQSFNVEU-CQSZACIVSA-N 1 0 383.334 2.957 20 0 GFADRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)Nc1cc(Cl)c(N)c(Cl)c1 ZINC000192314575 655404608 /nfs/dbraw/zinc/40/46/08/655404608.db2.gz UFHZWYNCXPXCTM-JTQLQIEISA-N 1 0 375.300 2.885 20 0 GFADRO CCN(CCOc1ccc(Br)cc1)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000418318702 655405420 /nfs/dbraw/zinc/40/54/20/655405420.db2.gz NZDDFYJQFOWNEQ-CQSZACIVSA-N 1 0 384.318 2.859 20 0 GFADRO O=S(=O)(c1c(Cl)cccc1Br)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000420478326 655407507 /nfs/dbraw/zinc/40/75/07/655407507.db2.gz WLORNUXWEOUXAX-CYBMUJFWSA-N 1 0 379.707 2.619 20 0 GFADRO O=C(N1CC[C@]2(CCC[NH2+]2)C1)C1(c2ccc(Br)cc2)CCOCC1 ZINC000424022306 655407908 /nfs/dbraw/zinc/40/79/08/655407908.db2.gz CVCNYILXIRGBAE-GOSISDBHSA-N 1 0 393.325 2.852 20 0 GFADRO [NH3+]C1CCC(NS(=O)(=O)c2cc(Cl)c(Br)cc2F)CC1 ZINC000193248976 655408982 /nfs/dbraw/zinc/40/89/82/655408982.db2.gz HSONNFYZKRTRSU-UHFFFAOYSA-N 1 0 385.686 2.790 20 0 GFADRO COc1ccc(C[C@@H](CO)C[NH2+][C@@H]2CCCc3n[nH]cc32)cc1Br ZINC000453382415 655411666 /nfs/dbraw/zinc/41/16/66/655411666.db2.gz SCCLRBCLHXOHGK-CZUORRHYSA-N 1 0 394.313 2.999 20 0 GFADRO CC[N@@H+]1CCCN(C(=O)C(=O)Nc2cc(Cl)cc(Br)c2)CC1 ZINC000453720250 655412489 /nfs/dbraw/zinc/41/24/89/655412489.db2.gz PUFZMOPCAHMYPR-UHFFFAOYSA-N 1 0 388.693 2.595 20 0 GFADRO C[C@H]([NH2+]C1CCN(CCS(C)(=O)=O)CC1)c1cc(Br)cs1 ZINC000194035368 655413950 /nfs/dbraw/zinc/41/39/50/655413950.db2.gz WPWGKFNRZRFDHL-NSHDSACASA-N 1 0 395.388 2.670 20 0 GFADRO C[NH+]1CCN(c2ncccc2CNC(=O)/C=C/c2ccc(Cl)s2)CC1 ZINC000194523862 655416011 /nfs/dbraw/zinc/41/60/11/655416011.db2.gz OATBSUGVFFKQOY-FNORWQNLSA-N 1 0 376.913 2.878 20 0 GFADRO NC(=O)[C@@H]([NH2+][C@H]1CCc2ccccc2OC1)c1ccc(Br)cc1 ZINC000509514486 655417127 /nfs/dbraw/zinc/41/71/27/655417127.db2.gz DZNGAHYILAZELE-RDJZCZTQSA-N 1 0 375.266 2.959 20 0 GFADRO COc1ccc(C[NH2+][C@H]2CCOC3(CCOCC3)C2)c(Br)c1O ZINC000518018157 655419993 /nfs/dbraw/zinc/41/99/93/655419993.db2.gz RMFKQNGZVFJNLG-ZDUSSCGKSA-N 1 0 386.286 2.981 20 0 GFADRO CCOC[C@@H]1C(=O)N([C@@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)C(=O)N1C ZINC000530209076 655420194 /nfs/dbraw/zinc/42/01/94/655420194.db2.gz CPGSJXGOTUESJN-LSDHHAIUSA-N 1 0 388.295 2.895 20 0 GFADRO [NH3+]CCC(=O)NC[C@@H]1CCCCN1Cc1ccc(Br)c(F)c1F ZINC000530216725 655420462 /nfs/dbraw/zinc/42/04/62/655420462.db2.gz CZHYUGFIPOFDHR-LBPRGKRZSA-N 1 0 390.272 2.547 20 0 GFADRO C[S@@](=O)C[C@H]([NH2+]CCCS(=O)(=O)c1ccc(F)cc1)c1ccccc1 ZINC000541614159 655421617 /nfs/dbraw/zinc/42/16/17/655421617.db2.gz NSBOYWGJMHRTFY-MHECFPHRSA-N 1 0 383.510 2.699 20 0 GFADRO CN1C[C@@H]([NH2+]Cc2cc(Br)c(Br)s2)CCC1=O ZINC000227835929 655422891 /nfs/dbraw/zinc/42/28/91/655422891.db2.gz FNTNQGJGTXLIHH-ZETCQYMHSA-N 1 0 382.121 2.984 20 0 GFADRO CN(C(=O)c1cc(Cl)ccc1I)[C@H](C[NH3+])C1CC1 ZINC000234318405 655424254 /nfs/dbraw/zinc/42/42/54/655424254.db2.gz BKMARXBQDWZOSS-GFCCVEGCSA-N 1 0 378.641 2.754 20 0 GFADRO CC(C)[C@H]([NH3+])CCN(C)C(=O)/C=C/c1ccc(I)o1 ZINC000236610302 655424626 /nfs/dbraw/zinc/42/46/26/655424626.db2.gz WXCKDXUSXJTOHP-HOSRBBHYSA-N 1 0 376.238 2.729 20 0 GFADRO CC(C)C[C@@](C)(C[NH3+])NC(=O)/C=C/c1ccc(I)o1 ZINC000236692876 655424746 /nfs/dbraw/zinc/42/47/46/655424746.db2.gz MIZXCGMBNCVYAK-DYLGSBMWSA-N 1 0 376.238 2.777 20 0 GFADRO CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)NC1CCC([NH3+])CC1 ZINC000237343925 655426072 /nfs/dbraw/zinc/42/60/72/655426072.db2.gz MDBSQDFCPJGGAG-ZUEPYMLJSA-N 1 0 383.945 2.578 20 0 GFADRO COCC[NH2+]CCNC(=O)c1ccc(Oc2cccc(Br)c2)nc1 ZINC000237336053 655426120 /nfs/dbraw/zinc/42/61/20/655426120.db2.gz KPWQWGCGZPLYOU-UHFFFAOYSA-N 1 0 394.269 2.602 20 0 GFADRO CC(=O)NCCN(Cc1ccc(Cl)cc1Cl)C(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000574199529 655426269 /nfs/dbraw/zinc/42/62/69/655426269.db2.gz HFRHCRNPTSYSPP-VXGBXAGGSA-N 1 0 389.327 2.767 20 0 GFADRO C[C@@H]1CN(Cn2[nH]c(-c3ccc(Cl)cc3)nc2=S)C[C@H](C)[N@H+]1CCO ZINC000840134710 661138822 /nfs/dbraw/zinc/13/88/22/661138822.db2.gz LWPBBFDUDSAOGN-BETUJISGSA-N 1 0 381.933 2.605 20 0 GFADRO C[C@@H](ON=C(N)C[N@@H+]1CCCC[C@H]1C)C(=O)Nc1ccccc1Br ZINC000246997459 655430913 /nfs/dbraw/zinc/43/09/13/655430913.db2.gz KMRSIHHUSOTBLP-CHWSQXEVSA-N 1 0 397.317 2.939 20 0 GFADRO O=c1ccn(C[N@@H+]2CCS[C@H]3COCC[C@H]32)c2c(Br)cccc12 ZINC000247275649 655431457 /nfs/dbraw/zinc/43/14/57/655431457.db2.gz SLACIAIOOVDYRD-ZBFHGGJFSA-N 1 0 395.322 2.928 20 0 GFADRO CC(C)c1[nH]nc(C(=O)Nc2cnc3c(c2)C[C@H]([NH3+])CC3)c1Br ZINC000574877388 655432670 /nfs/dbraw/zinc/43/26/70/655432670.db2.gz IPGZUHOOSPVDCW-SNVBAGLBSA-N 1 0 378.274 2.759 20 0 GFADRO C[C@](O)(C[NH2+]C[C@H](CO)Cc1ccccc1OC(F)(F)F)C(F)(F)F ZINC000574989359 655434176 /nfs/dbraw/zinc/43/41/76/655434176.db2.gz OLDKYBJXUJOOEL-MFKMUULPSA-N 1 0 375.309 2.639 20 0 GFADRO C[C@H](C[NH+]1CCCCC1)NC(=O)/C=C\c1ccc(I)o1 ZINC000254955142 655436093 /nfs/dbraw/zinc/43/60/93/655436093.db2.gz RIRZPXFGQBSGLY-XYLWRLHESA-N 1 0 388.249 2.888 20 0 GFADRO O=S(=O)(/C=C\c1cccc(Br)c1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000255668487 655440101 /nfs/dbraw/zinc/44/01/01/655440101.db2.gz FAWXGDNFIBZUHP-UBAGTECSSA-N 1 0 385.327 2.920 20 0 GFADRO CN(Cc1ccccc1Br)C(=O)CN1C[C@@H]([NH3+])Cc2ccccc21 ZINC000261658026 655441586 /nfs/dbraw/zinc/44/15/86/655441586.db2.gz KKOKBCKNBMXFFS-INIZCTEOSA-N 1 0 388.309 2.798 20 0 GFADRO C[NH2+][C@H]1CCCN(C(=O)[C@@H](c2ccc(Cl)cc2Cl)N2CCOCC2)C1 ZINC000261677142 655441757 /nfs/dbraw/zinc/44/17/57/655441757.db2.gz HAOAOSUJANVCHH-WMLDXEAASA-N 1 0 386.323 2.577 20 0 GFADRO [NH3+]CCC(=O)NC[C@H]1CCCCN1Cc1ccc(Cl)c(Br)c1 ZINC000262112464 655443858 /nfs/dbraw/zinc/44/38/58/655443858.db2.gz WPVHDOMUDLIQDL-CYBMUJFWSA-N 1 0 388.737 2.922 20 0 GFADRO Cc1nn(-c2ccc(C(=O)N[C@H]3CC[NH2+]C[C@H]3C)cc2)c(C)c1Br ZINC000262789388 655447196 /nfs/dbraw/zinc/44/71/96/655447196.db2.gz MUAGCGKJNNGPGH-BZNIZROVSA-N 1 0 391.313 2.979 20 0 GFADRO O=C(C[C@@H]1CSCC[NH2+]1)Nc1nc(-c2ccc3c(c2)OCCO3)cs1 ZINC000262830279 655447355 /nfs/dbraw/zinc/44/73/55/655447355.db2.gz UWRSVKWGPLFLMK-GFCCVEGCSA-N 1 0 377.491 2.615 20 0 GFADRO C[C@H]([NH2+]C[C@@H](O)COc1cccc(Br)c1)C(=O)N1CCCC[C@H]1C ZINC000576577438 655449299 /nfs/dbraw/zinc/44/92/99/655449299.db2.gz VKMOYDLNDYZBHV-IJEWVQPXSA-N 1 0 399.329 2.568 20 0 GFADRO C[NH2+]C[C@H]1CCCN(C(=O)c2cn(-c3ccc(Br)cc3)cn2)C1 ZINC000576581575 655449403 /nfs/dbraw/zinc/44/94/03/655449403.db2.gz LBRIBFLBBCQZKJ-CYBMUJFWSA-N 1 0 377.286 2.706 20 0 GFADRO Cc1cc(S(=O)(=O)N2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)c(Cl)cc1F ZINC000576733339 655451885 /nfs/dbraw/zinc/45/18/85/655451885.db2.gz QNONPEFSILSNAO-RDJZCZTQSA-N 1 0 390.908 2.695 20 0 GFADRO COc1ccc(Cl)cc1[C@@H](C)[NH2+]C[C@@H]1CCCCN1S(=O)(=O)N(C)C ZINC000576903409 655454387 /nfs/dbraw/zinc/45/43/87/655454387.db2.gz FPAOGUZQQGUHBL-HIFRSBDPSA-N 1 0 389.949 2.660 20 0 GFADRO COc1cc(Br)c(NC(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1OC ZINC000576925079 655454840 /nfs/dbraw/zinc/45/48/40/655454840.db2.gz INQRSEPMBZFZDH-IJLUTSLNSA-N 1 0 398.301 2.976 20 0 GFADRO CS(=O)(=O)N1CC[C@H]([NH2+][C@@H]2CCCc3nc(-c4ccccc4)sc32)C1 ZINC000576950215 655455110 /nfs/dbraw/zinc/45/51/10/655455110.db2.gz WWUUSOKXKUCZJF-LSDHHAIUSA-N 1 0 377.535 2.811 20 0 GFADRO CC[C@@H](Cc1ccccc1Br)[NH2+]C[C@@H](O)COC1CCOCC1 ZINC000577054634 655456567 /nfs/dbraw/zinc/45/65/67/655456567.db2.gz CIQIQRIAOMDIDP-JKSUJKDBSA-N 1 0 386.330 2.916 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)Nc2ccc(-c3ccc(Br)s3)nn2)CC[NH2+]1 ZINC000577080026 655457257 /nfs/dbraw/zinc/45/72/57/655457257.db2.gz XSJRKBBZKSRXJL-NXEZZACHSA-N 1 0 396.314 3.230 20 0 GFADRO CC(C)(C)N1C[C@H]([NH2+]CCC(=O)Nc2ccc(Br)cc2)CC1=O ZINC000577503086 655461153 /nfs/dbraw/zinc/46/11/53/655461153.db2.gz LPRPCPYKIUZGQQ-CQSZACIVSA-N 1 0 382.302 2.767 20 0 GFADRO CN(CC[C@@H]1CCCC[N@@H+]1C)Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000577581019 655462427 /nfs/dbraw/zinc/46/24/27/655462427.db2.gz UBMYRYHNHIGMMS-INIZCTEOSA-N 1 0 393.329 2.763 20 0 GFADRO Brc1cccc(Cc2nnn(Cc3ccc4c(c3)C[NH2+]CC4)n2)c1 ZINC000577734656 655465966 /nfs/dbraw/zinc/46/59/66/655465966.db2.gz FALHTEFBGPXPGR-UHFFFAOYSA-N 1 0 384.281 2.720 20 0 GFADRO O=C(NC[C@@H]1C[NH2+]CCCO1)Nc1cc(F)c(Br)cc1Cl ZINC000577839437 655468216 /nfs/dbraw/zinc/46/82/16/655468216.db2.gz JUMSJDQSVGCFSE-QMMMGPOBSA-N 1 0 380.645 2.742 20 0 GFADRO O[C@@H](C[NH2+]CCCc1ccccn1)COc1cc(F)cc(Br)c1 ZINC000577860320 655468651 /nfs/dbraw/zinc/46/86/51/655468651.db2.gz XDANBNLPFCBBMC-INIZCTEOSA-N 1 0 383.261 2.945 20 0 GFADRO NS(=O)(=O)c1cc(Cl)cc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCCC[C@H]2O)c1 ZINC000578017376 655471419 /nfs/dbraw/zinc/47/14/19/655471419.db2.gz ZYTPCMKLHMINII-RCCFBDPRSA-N 1 0 386.945 2.893 20 0 GFADRO CS(=O)(=O)N1CC[C@@H]([NH2+][C@@H]2CCc3c2cc(Br)cc3Cl)C1 ZINC000578136784 655473393 /nfs/dbraw/zinc/47/33/93/655473393.db2.gz CODPMFSKPHNRNK-QMTHXVAHSA-N 1 0 393.734 2.713 20 0 GFADRO COc1cc(Br)ccc1[C@H](C)NC(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000578235505 655474711 /nfs/dbraw/zinc/47/47/11/655474711.db2.gz INMLTMFWLVXGAX-QWRGUYRKSA-N 1 0 393.285 2.749 20 0 GFADRO COC(=O)C[C@H](C)SCC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000265192280 655478772 /nfs/dbraw/zinc/47/87/72/655478772.db2.gz VOAREMBYQMMVHP-AWEZNQCLSA-N 1 0 382.551 2.859 20 0 GFADRO OC[C@@H](C[NH2+]Cc1cn(-c2ccc(Cl)c(Cl)c2)nn1)c1cccnc1 ZINC000578465651 655479535 /nfs/dbraw/zinc/47/95/35/655479535.db2.gz UJRHDEIYYCBBMQ-CYBMUJFWSA-N 1 0 378.263 2.835 20 0 GFADRO COC[C@H](CCO)[NH2+]Cc1c(C)nn(-c2ccc(Br)cc2)c1C ZINC000265815666 655491188 /nfs/dbraw/zinc/49/11/88/655491188.db2.gz WNCHYQXASOSRIT-HNNXBMFYSA-N 1 0 382.302 2.739 20 0 GFADRO Cc1ccccc1[C@@H]([NH3+])C(=O)NC[C@H](O)COc1cccc(Cl)c1Cl ZINC000579000981 655491287 /nfs/dbraw/zinc/49/12/87/655491287.db2.gz CPRUSOLJTCWCBZ-YVEFUNNKSA-N 1 0 383.275 2.858 20 0 GFADRO C[C@@H]1CCC[C@](CNC(=O)c2cc(S(C)(=O)=O)ccc2Cl)([NH+](C)C)C1 ZINC000265957557 655493936 /nfs/dbraw/zinc/49/39/36/655493936.db2.gz XKCOAXHRVJTYKB-ACJLOTCBSA-N 1 0 386.945 2.984 20 0 GFADRO CC(C)[NH2+]C1(CO)CCN(CCC(=O)Nc2ccc(Br)cc2)CC1 ZINC000579138980 655494564 /nfs/dbraw/zinc/49/45/64/655494564.db2.gz ZIEXNSKPARBCFP-UHFFFAOYSA-N 1 0 398.345 2.603 20 0 GFADRO NC(=O)[C@H](c1ccc(Br)cc1F)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000265998618 655494734 /nfs/dbraw/zinc/49/47/34/655494734.db2.gz MZOXMMGWLFSUTG-BBRMVZONSA-N 1 0 384.293 2.675 20 0 GFADRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1cc(F)ccc1I ZINC000266017822 655495287 /nfs/dbraw/zinc/49/52/87/655495287.db2.gz VMUKNSLNMVUQGT-HZMBPMFUSA-N 1 0 390.240 2.843 20 0 GFADRO C[NH2+]C[C@@H]1CCCN1C(=O)Nc1ccc(I)cc1F ZINC000579376721 655498659 /nfs/dbraw/zinc/49/86/59/655498659.db2.gz BZORCTGAGRZISU-JTQLQIEISA-N 1 0 377.201 2.646 20 0 GFADRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1S(=O)(=O)c1ccc(Br)c(F)c1 ZINC000579389065 655498726 /nfs/dbraw/zinc/49/87/26/655498726.db2.gz XNMDBKRTSGHMCL-NHYWBVRUSA-N 1 0 391.306 2.836 20 0 GFADRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)c1cnn(-c2ncccc2Cl)c1C(F)(F)F ZINC000579597545 655501984 /nfs/dbraw/zinc/50/19/84/655501984.db2.gz SVAWACWUDIBYPR-RKDXNWHRSA-N 1 0 375.782 2.795 20 0 GFADRO CN(Cc1ccc(Cl)s1)C(=O)CN(CC[NH+](C)C)Cc1ccccn1 ZINC000579728008 655503286 /nfs/dbraw/zinc/50/32/86/655503286.db2.gz FCDGXRCUEQCWBE-UHFFFAOYSA-N 1 0 380.945 2.819 20 0 GFADRO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]C[C@H](CO)c1cccnc1 ZINC000579749956 655503492 /nfs/dbraw/zinc/50/34/92/655503492.db2.gz PCYPNJQTPHCMMG-UKRRQHHQSA-N 1 0 392.297 2.927 20 0 GFADRO Cc1ccc(F)c(NC(=O)C(=O)N[C@H](C)C[N@@H+](C)C(C)C)c1Br ZINC000579780058 655503988 /nfs/dbraw/zinc/50/39/88/655503988.db2.gz AHXXKFFWVZOSPT-LLVKDONJSA-N 1 0 388.281 2.680 20 0 GFADRO CC[NH+]1CCC(CNS(=O)(=O)c2cc(F)ccc2Br)CC1 ZINC000579791641 655504099 /nfs/dbraw/zinc/50/40/99/655504099.db2.gz SKSZTESOEYGUAQ-UHFFFAOYSA-N 1 0 379.295 2.598 20 0 GFADRO O=S(=O)(c1cc(Cl)ccc1OCC1CCC1)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000579832846 655504518 /nfs/dbraw/zinc/50/45/18/655504518.db2.gz XAVMKZZAFMHDQL-HUUCEWRRSA-N 1 0 384.929 2.749 20 0 GFADRO COc1cc(C(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)cc(Br)c1OC ZINC000579950591 655506082 /nfs/dbraw/zinc/50/60/82/655506082.db2.gz JBGNVHLJIMYYSV-TXEJJXNPSA-N 1 0 383.286 2.538 20 0 GFADRO C[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1NC(=O)c1c(Br)cnn1C ZINC000716185439 655523450 /nfs/dbraw/zinc/52/34/50/655523450.db2.gz LSGDSEJZLGLVCX-XJKSGUPXSA-N 1 0 391.313 2.823 20 0 GFADRO [NH3+]C[C@H]1CN(Cc2ccc(I)cc2)C[C@@H]1C(F)(F)F ZINC000720818447 655524752 /nfs/dbraw/zinc/52/47/52/655524752.db2.gz VIEFNUVXINBQQW-JQWIXIFHSA-N 1 0 384.183 2.860 20 0 GFADRO C[NH+](C)C1(C)CCN(C(=O)c2cccc(F)c2I)CC1 ZINC000721692555 655524978 /nfs/dbraw/zinc/52/49/78/655524978.db2.gz PSFVNRWYFWKSPN-UHFFFAOYSA-N 1 0 390.240 2.987 20 0 GFADRO C[C@@H]([NH2+]CC[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O)c1cccs1 ZINC000721751563 655525123 /nfs/dbraw/zinc/52/51/23/655525123.db2.gz HGKZKXIRGOZNRS-ZIAGYGMSSA-N 1 0 388.555 2.823 20 0 GFADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1cc2c(cc(Br)cc2F)[nH]1 ZINC000725896636 655528519 /nfs/dbraw/zinc/52/85/19/655528519.db2.gz MRRYQNRZHICZHJ-RYUDHWBXSA-N 1 0 396.260 2.663 20 0 GFADRO CC(C)(C)OC(=O)NCC[NH2+]CCC(=O)Nc1ccc(Br)cc1 ZINC000727470722 655546169 /nfs/dbraw/zinc/54/61/69/655546169.db2.gz JOKKBCRXPVKGPZ-UHFFFAOYSA-N 1 0 386.290 2.892 20 0 GFADRO O[C@@H](COc1ccc(Cl)cc1Cl)C[N@@H+]1CCCC[C@@H]1C1OCCO1 ZINC000728173308 655553609 /nfs/dbraw/zinc/55/36/09/655553609.db2.gz XNHSXXUMDMNHJP-UKRRQHHQSA-N 1 0 376.280 2.961 20 0 GFADRO C[NH+](C)C1(CNS(=O)(=O)c2c(Cl)nc3sccn32)CCCCCC1 ZINC000728581249 655557042 /nfs/dbraw/zinc/55/70/42/655557042.db2.gz DVCBCESUHLWJFO-UHFFFAOYSA-N 1 0 390.962 2.982 20 0 GFADRO O[C@@H](C[NH2+]C[C@@H](O)c1ccc(Br)cc1)COc1ccc(F)cc1 ZINC000728942807 655560442 /nfs/dbraw/zinc/56/04/42/655560442.db2.gz QDYSWFFXAZSNLV-DOTOQJQBSA-N 1 0 384.245 2.651 20 0 GFADRO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)/C=C/c2ccc(Br)o2)CC1 ZINC000730563124 655576456 /nfs/dbraw/zinc/57/64/56/655576456.db2.gz SRPLLPBHDVAZRZ-PMGBHYCQSA-N 1 0 396.329 2.684 20 0 GFADRO O=S(=O)(/C=C\c1cccc(Br)c1)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000731038237 655580863 /nfs/dbraw/zinc/58/08/63/655580863.db2.gz FAAODSMNZUFVEE-GQSKFBFOSA-N 1 0 385.327 2.824 20 0 GFADRO O[C@@H](COc1ccc(Br)cc1)C[NH+]1CCC(n2cccn2)CC1 ZINC000731353946 655583265 /nfs/dbraw/zinc/58/32/65/655583265.db2.gz YZLMFLXFSKPFHG-MRXNPFEDSA-N 1 0 380.286 2.722 20 0 GFADRO CN([C@H]1CC[N@@H+](C2CC2)C1)S(=O)(=O)/C=C/c1ccccc1Br ZINC000732226547 655593550 /nfs/dbraw/zinc/59/35/50/655593550.db2.gz LIADXERYIIYZFI-GDXASINISA-N 1 0 385.327 2.918 20 0 GFADRO O=C1CCCCN1[C@@H]1CCC[N@@H+](C[C@@H](O)c2ccc(Br)cc2)C1 ZINC000732809665 655602317 /nfs/dbraw/zinc/60/23/17/655602317.db2.gz XPVHFPFJVFOSQY-IAGOWNOFSA-N 1 0 381.314 2.959 20 0 GFADRO C[NH+](C)CCN(C(=O)CN1C(=S)N=NC1c1cccs1)C1CCCC1 ZINC000733157187 655608554 /nfs/dbraw/zinc/60/85/54/655608554.db2.gz QRSVHIHBVBCXTE-UHFFFAOYSA-N 1 0 379.555 2.628 20 0 GFADRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)CN1C(=S)N=NC1c1cccs1 ZINC000733274070 655611224 /nfs/dbraw/zinc/61/12/24/655611224.db2.gz QYDIEJTWVVQCEC-CYBMUJFWSA-N 1 0 379.555 2.676 20 0 GFADRO O=C(NCc1ccccc1Br)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000734272025 655628678 /nfs/dbraw/zinc/62/86/78/655628678.db2.gz IEWYSOVYZFJXRZ-MRXNPFEDSA-N 1 0 396.329 2.892 20 0 GFADRO O=C(N[C@H]1CC[N@@H+](C2CC2)C1)N1CCO[C@H](c2ccccc2Br)C1 ZINC000734286134 655628725 /nfs/dbraw/zinc/62/87/25/655628725.db2.gz ZWNDNAQDSDWALW-GUYCJALGSA-N 1 0 394.313 2.769 20 0 GFADRO CS[C@@H]1CCC[C@H]([NH2+]Cc2c(C)nn([C@@H]3CCS(=O)(=O)C3)c2Cl)C1 ZINC000735323959 655645270 /nfs/dbraw/zinc/64/52/70/655645270.db2.gz IUYDEBMPCUVPSV-BFHYXJOUSA-N 1 0 391.990 2.968 20 0 GFADRO CS[C@@H]1CCC[C@@H]([NH2+]Cc2c(C)nn([C@@H]3CCS(=O)(=O)C3)c2Cl)C1 ZINC000735323962 655645286 /nfs/dbraw/zinc/64/52/86/655645286.db2.gz IUYDEBMPCUVPSV-MGPQQGTHSA-N 1 0 391.990 2.968 20 0 GFADRO O=C(CC1([NH+]2CCOCC2)CCCC1)OCc1cncc(Br)c1 ZINC000736001922 655656996 /nfs/dbraw/zinc/65/69/96/655656996.db2.gz NAVSFSXBRNSNFW-UHFFFAOYSA-N 1 0 383.286 2.922 20 0 GFADRO C[N@H+](CCC(=O)Nc1cccc(Br)c1)CC(=O)NCc1ccco1 ZINC000736308324 655661484 /nfs/dbraw/zinc/66/14/84/655661484.db2.gz LDTPCMHYUYTDSE-UHFFFAOYSA-N 1 0 394.269 2.619 20 0 GFADRO C[C@H]1C[C@H](NC(=O)Nc2cc3c(cc2Br)OCCO3)CC[N@@H+]1C ZINC000741752480 655707850 /nfs/dbraw/zinc/70/78/50/655707850.db2.gz STESYLXYZHPZMW-WDEREUQCSA-N 1 0 384.274 2.825 20 0 GFADRO C[NH+]1CCC2(CCN2C(=O)c2ccc(I)c(F)c2)CC1 ZINC000742185460 655711526 /nfs/dbraw/zinc/71/15/26/655711526.db2.gz IDTYYAWDPXCPMM-UHFFFAOYSA-N 1 0 388.224 2.741 20 0 GFADRO COC[C@@H](C)NC(=S)N(CC[NH+](C)C)Cc1cccc(C(F)(F)F)c1 ZINC000743581086 655730157 /nfs/dbraw/zinc/73/01/57/655730157.db2.gz ZIYDSFDARUINMD-CYBMUJFWSA-N 1 0 377.476 2.978 20 0 GFADRO C[C@H]1CCC[N@@H+]1CCNC(=O)c1cnn(-c2cccc(Br)c2)c1 ZINC000744344924 655739324 /nfs/dbraw/zinc/73/93/24/655739324.db2.gz HXHNYSQVFLXJJK-ZDUSSCGKSA-N 1 0 377.286 2.849 20 0 GFADRO CC(C)[NH+]1CCC(NC(=O)COC(=O)c2cc(Br)cs2)CC1 ZINC000744874058 655746056 /nfs/dbraw/zinc/74/60/56/655746056.db2.gz BMOVCCLUVKCRQK-UHFFFAOYSA-N 1 0 389.315 2.656 20 0 GFADRO Cc1ccc(Br)cc1C(=O)OCC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000745254392 655749522 /nfs/dbraw/zinc/74/95/22/655749522.db2.gz WLPKSIPNRXFPIG-UHFFFAOYSA-N 1 0 395.297 2.657 20 0 GFADRO COC(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)c1 ZINC000745464169 655751953 /nfs/dbraw/zinc/75/19/53/655751953.db2.gz RTBXMFBVZQVADP-CYBMUJFWSA-N 1 0 388.917 2.525 20 0 GFADRO C[N@H+](CC1CC1)C[C@@H]1CCN(Cn2c3ccc(Br)cc3oc2=O)C1 ZINC000746383917 655760759 /nfs/dbraw/zinc/76/07/59/655760759.db2.gz ZJHYCDMPEQHRKJ-AWEZNQCLSA-N 1 0 394.313 2.978 20 0 GFADRO CCc1c(Cl)nc(CS(C)(=O)=O)nc1NC1CC[NH+](CC(C)C)CC1 ZINC000746429377 655761394 /nfs/dbraw/zinc/76/13/94/655761394.db2.gz IFCLISAUDLESGE-UHFFFAOYSA-N 1 0 388.965 2.769 20 0 GFADRO COC(=O)/C(C)=C\C[N@@H+]1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000746501574 655762801 /nfs/dbraw/zinc/76/28/01/655762801.db2.gz DLPPHJVQXVIWJZ-FFXRNRBCSA-N 1 0 396.285 2.614 20 0 GFADRO CC[NH+](CC)CCO[C@H]1CCN(C[C@H](O)c2cccc(Br)c2)C1 ZINC000746676412 655766378 /nfs/dbraw/zinc/76/63/78/655766378.db2.gz UVRLHZMAYXVRSY-ROUUACIJSA-N 1 0 385.346 2.915 20 0 GFADRO Cc1csc([C@@](O)(CC(=O)N[C@H](C)C[NH+]2CCCCC2)C(F)(F)F)n1 ZINC000746828239 655767596 /nfs/dbraw/zinc/76/75/96/655767596.db2.gz CWTMLIPYAGFNLN-ABAIWWIYSA-N 1 0 379.448 2.582 20 0 GFADRO CC[N@@H+]1CC[C@H]2OCCN(C(=S)NCc3ccc(Br)cc3)[C@H]2C1 ZINC000840755216 661184220 /nfs/dbraw/zinc/18/42/20/661184220.db2.gz RCMLNDFXBQTCAX-JKSUJKDBSA-N 1 0 398.370 2.619 20 0 GFADRO C[NH+](C)CCCNC(=S)NCCC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000840760383 661184532 /nfs/dbraw/zinc/18/45/32/661184532.db2.gz WHNSXKWVHUXKEF-UHFFFAOYSA-N 1 0 377.341 2.738 20 0 GFADRO CC[NH+](CC)CCO[C@H]1CCN(c2ccccc2S(=O)(=O)C(F)F)C1 ZINC000747228361 655774415 /nfs/dbraw/zinc/77/44/15/655774415.db2.gz UMNFAPXNZGFRCM-AWEZNQCLSA-N 1 0 376.469 2.620 20 0 GFADRO C[NH+](C)CCn1cc(NC(=O)NC[C@H](O)c2cc(Cl)cc(Cl)c2)cn1 ZINC000747557138 655780086 /nfs/dbraw/zinc/78/00/86/655780086.db2.gz UNGVMYQQUDJLAS-HNNXBMFYSA-N 1 0 386.283 2.607 20 0 GFADRO CC(C)(C)c1ccc(S(=O)(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)s1 ZINC000747886728 655785122 /nfs/dbraw/zinc/78/51/22/655785122.db2.gz PZMLDUOIMSTQIQ-HNNXBMFYSA-N 1 0 386.583 2.967 20 0 GFADRO C[NH+]1CCC2(CCN2C(=O)c2ccc(-n3cc(Br)cn3)cc2)CC1 ZINC000748324190 655789760 /nfs/dbraw/zinc/78/97/60/655789760.db2.gz NGNNXEJWIDFBAA-UHFFFAOYSA-N 1 0 389.297 2.945 20 0 GFADRO C[NH+](C)[C@]1(CNC(=S)Nc2ccc3c(c2)OC(F)(F)O3)CCSC1 ZINC000748603140 655792716 /nfs/dbraw/zinc/79/27/16/655792716.db2.gz SONJKNVGLOIHMP-AWEZNQCLSA-N 1 0 375.466 2.732 20 0 GFADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]CCCNC(=O)OC(C)(C)C ZINC000840718567 661178676 /nfs/dbraw/zinc/17/86/76/661178676.db2.gz CMDFQZMMYWJKIA-GFCCVEGCSA-N 1 0 388.306 2.504 20 0 GFADRO CC(C)(C)O[C@@H]1C[C@@H]([NH2+]C2CCN(S(=O)(=O)C(F)(F)F)CC2)C1(C)C ZINC000840725792 661179057 /nfs/dbraw/zinc/17/90/57/661179057.db2.gz VUWFZOPIIVQAOA-CHWSQXEVSA-N 1 0 386.480 2.872 20 0 GFADRO COC(=O)[C@H](c1ccc(Cl)c(Cl)c1)N(C)C[C@@H](O)C[NH+]1CCCC1 ZINC000749153165 655801023 /nfs/dbraw/zinc/80/10/23/655801023.db2.gz VJVQSUDHTMIVNL-CJNGLKHVSA-N 1 0 375.296 2.596 20 0 GFADRO OCC1([NH2+]C[C@@H](O)COc2ccc(Cl)cc2Br)CCCC1 ZINC000749448549 655805111 /nfs/dbraw/zinc/80/51/11/655805111.db2.gz KLRNGBLBMPOGRL-GFCCVEGCSA-N 1 0 378.694 2.737 20 0 GFADRO Cc1ccc(/C=C\C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)c(Br)c1 ZINC000749510203 655805484 /nfs/dbraw/zinc/80/54/84/655805484.db2.gz XTDUNKKZZOWVJR-YIEVGGLXSA-N 1 0 393.325 2.951 20 0 GFADRO O=S(=O)(NC1CC[NH+](C2CC2)CC1)c1cc2ccc(Cl)nc2cc1F ZINC000750152936 655811712 /nfs/dbraw/zinc/81/17/12/655811712.db2.gz BQTAOYPCLSNTDP-UHFFFAOYSA-N 1 0 383.876 2.932 20 0 GFADRO CCOCCNC(=S)N(CC[NH+](C)C)Cc1cccc(C(F)(F)F)c1 ZINC000751008532 655820221 /nfs/dbraw/zinc/82/02/21/655820221.db2.gz YOHXWXWIGBUWEC-UHFFFAOYSA-N 1 0 377.476 2.980 20 0 GFADRO CN(C)C(=O)c1ccc(C[NH2+]C[C@@H](O)c2ccccc2Br)cc1 ZINC000751569155 655831004 /nfs/dbraw/zinc/83/10/04/655831004.db2.gz AFMSTLVRNCEQSG-QGZVFWFLSA-N 1 0 377.282 2.974 20 0 GFADRO C[C@H](NC(=S)NCC(C)(C)C[NH+](C)C)[C@H](O)c1c(F)cccc1Cl ZINC000751898974 655835791 /nfs/dbraw/zinc/83/57/91/655835791.db2.gz OJOIPKUAXSEZRM-NHYWBVRUSA-N 1 0 375.941 2.953 20 0 GFADRO O=C([C@H]1CCC[N@@H+](C[C@H](O)c2ccccc2Br)C1)N1CCCC1 ZINC000751987660 655837956 /nfs/dbraw/zinc/83/79/56/655837956.db2.gz KVVQPFVQKHYUMI-YOEHRIQHSA-N 1 0 381.314 2.817 20 0 GFADRO CN(C)C(=O)CN1CCC([NH2+]Cc2cc(Cl)cc(Br)c2)CC1 ZINC000840874257 661197123 /nfs/dbraw/zinc/19/71/23/661197123.db2.gz XYIZQEOFTPVSLB-UHFFFAOYSA-N 1 0 388.737 2.745 20 0 GFADRO OCC[C@@H]([NH2+]C[C@H](O)COc1ccc(Br)cc1)c1cccs1 ZINC000754385199 655867206 /nfs/dbraw/zinc/86/72/06/655867206.db2.gz NYTIRUNNNOCFDF-DZGCQCFKSA-N 1 0 386.311 2.964 20 0 GFADRO CC[N@@H+]1CCN(C(=O)Nc2cc3c(cc2Br)OCCO3)C[C@@H]1C ZINC000754396237 655867297 /nfs/dbraw/zinc/86/72/97/655867297.db2.gz WPWSPHPZVZZZAM-NSHDSACASA-N 1 0 384.274 2.778 20 0 GFADRO C[NH+](C)[C@]1(CNC(=O)Nc2ccc([S@](=O)C(F)(F)F)cc2)CCSC1 ZINC000754449889 655867837 /nfs/dbraw/zinc/86/78/37/655867837.db2.gz HGWUAULBYOUEKY-SXBQZSJRSA-N 1 0 395.472 2.873 20 0 GFADRO COC(=O)C[C@@H]([NH2+]CC(=O)Nc1c(F)cc(F)cc1Br)C1CC1 ZINC000754534571 655869431 /nfs/dbraw/zinc/86/94/31/655869431.db2.gz BOFDYJXURYQMHG-GFCCVEGCSA-N 1 0 391.212 2.597 20 0 GFADRO Cc1ccc([C@H](C)[NH2+]CC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)s1 ZINC000754664093 655870981 /nfs/dbraw/zinc/87/09/81/655870981.db2.gz REIJVNNSPCNYEG-ZDUSSCGKSA-N 1 0 381.523 2.596 20 0 GFADRO COC(=O)C1=C(C)O[C@H](C[N@H+](CCO)Cc2cc(Br)cs2)C1 ZINC000755182417 655881007 /nfs/dbraw/zinc/88/10/07/655881007.db2.gz ZYMXEGOQUZNMBD-LBPRGKRZSA-N 1 0 390.299 2.541 20 0 GFADRO O=C(CCC(=O)c1cc(Cl)sc1Cl)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000755262497 655881714 /nfs/dbraw/zinc/88/17/14/655881714.db2.gz YTSHCDJRAMGEIG-MNOVXSKESA-N 1 0 391.320 2.997 20 0 GFADRO O=C(CCC(=O)c1cc(Cl)sc1Cl)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000755262503 655881719 /nfs/dbraw/zinc/88/17/19/655881719.db2.gz YTSHCDJRAMGEIG-QWRGUYRKSA-N 1 0 391.320 2.997 20 0 GFADRO CC[C@@H]1CC[N@H+](CN2C(=O)N[C@@](C)(c3ccc(Br)cc3)C2=O)C1 ZINC000755926566 655891361 /nfs/dbraw/zinc/89/13/61/655891361.db2.gz XTZIUUFTQXYVCS-PXAZEXFGSA-N 1 0 380.286 2.906 20 0 GFADRO Clc1ccc(-n2cc(CNC[C@@H]3C[N@@H+]4CCC[C@H]4CO3)nn2)c(Cl)c1 ZINC000756025596 655893463 /nfs/dbraw/zinc/89/34/63/655893463.db2.gz MKPQWUGZEOXHTK-LSDHHAIUSA-N 1 0 382.295 2.527 20 0 GFADRO Cc1ccc(N2N=C(Br)C[C@@H]2C(=O)N2CC[C@@H](C[NH+](C)C)C2)cc1 ZINC000756093347 655894590 /nfs/dbraw/zinc/89/45/90/655894590.db2.gz GBTWSPCGUJHMPQ-GOEBONIOSA-N 1 0 393.329 2.692 20 0 GFADRO CCOC(=O)/C=C/C[NH+]1CCC(C(=O)Nc2ccc(Br)cn2)CC1 ZINC000756094967 655894650 /nfs/dbraw/zinc/89/46/50/655894650.db2.gz SLJNBYVTMYEDMB-ONEGZZNKSA-N 1 0 396.285 2.614 20 0 GFADRO CCOC(=O)c1sc([C@H](C)NC(=S)NCC(C)(C)C[NH+](C)C)nc1C ZINC000756796526 655905228 /nfs/dbraw/zinc/90/52/28/655905228.db2.gz CBAMOTOJDKHALS-LBPRGKRZSA-N 1 0 386.587 2.741 20 0 GFADRO CCOC(=O)c1sc([C@@H](C)NC(=S)NCC(C)(C)C[NH+](C)C)nc1C ZINC000756796523 655905271 /nfs/dbraw/zinc/90/52/71/655905271.db2.gz CBAMOTOJDKHALS-GFCCVEGCSA-N 1 0 386.587 2.741 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2ccc(Cl)c(C(=O)OC)c2)C[C@@H]1C ZINC000757496818 655912744 /nfs/dbraw/zinc/91/27/44/655912744.db2.gz SUYSORPAHAASOG-STQMWFEESA-N 1 0 388.917 2.620 20 0 GFADRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)Nc1ccc(I)cc1 ZINC000757793269 655916744 /nfs/dbraw/zinc/91/67/44/655916744.db2.gz IEYGDOCPPNTYJR-YGRLFVJLSA-N 1 0 385.249 2.895 20 0 GFADRO O=C(Nc1cncc(Br)c1)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000757913456 655918437 /nfs/dbraw/zinc/91/84/37/655918437.db2.gz VPSXEAXYUBTFQN-OAHLLOKOSA-N 1 0 383.290 2.609 20 0 GFADRO C[NH+]1CCC(NC(=S)N2CCc3c(Br)ccc(F)c3C2)CC1 ZINC000757948060 655919726 /nfs/dbraw/zinc/91/97/26/655919726.db2.gz FBLHZBMCOSQNAE-UHFFFAOYSA-N 1 0 386.334 2.915 20 0 GFADRO O=C(c1cccnc1I)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000758011784 655921531 /nfs/dbraw/zinc/92/15/31/655921531.db2.gz CZKOYUZBXMUTFT-ZDUSSCGKSA-N 1 0 399.276 2.777 20 0 GFADRO CN1CC[NH+](CC2(C)CCN(Cn3nc(C4CC4)sc3=S)CC2)CC1 ZINC000758263969 655927971 /nfs/dbraw/zinc/92/79/71/655927971.db2.gz JGOWKLRLTOISJD-UHFFFAOYSA-N 1 0 381.615 2.858 20 0 GFADRO C[C@H](C[C@H](O)c1ccc(F)cc1)[NH2+]Cc1ccc(S(N)(=O)=O)c(Cl)c1 ZINC000840906273 661204784 /nfs/dbraw/zinc/20/47/84/661204784.db2.gz FMKPJCBABVPBBW-BZNIZROVSA-N 1 0 386.876 2.728 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1cnn(-c2ccccc2)c1Br ZINC000760183198 655971530 /nfs/dbraw/zinc/97/15/30/655971530.db2.gz PDXYASOFRLJMEG-HIFRSBDPSA-N 1 0 389.297 2.991 20 0 GFADRO COc1ccc(Br)c(CNC(=S)NCC2CC[NH+](C)CC2)c1 ZINC000760467820 655981703 /nfs/dbraw/zinc/98/17/03/655981703.db2.gz JYBIGCUADJUILP-UHFFFAOYSA-N 1 0 386.359 2.764 20 0 GFADRO Cn1c(Cl)ncc1S(=O)(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000760854563 655993579 /nfs/dbraw/zinc/99/35/79/655993579.db2.gz DGJYLKAUWONSIX-UHFFFAOYSA-N 1 0 382.917 2.538 20 0 GFADRO C[C@@H]1C[C@@H](N2C(=O)[C@H](c3cccc(Br)c3)N(C)C2=O)CC[N@@H+]1C ZINC000761282256 656007549 /nfs/dbraw/zinc/00/75/49/656007549.db2.gz PPJYHASKELDSMM-UGFHNGPFSA-N 1 0 380.286 2.867 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CNC(=S)NCCOc1ncc(Cl)cc1Cl ZINC000761825040 656022009 /nfs/dbraw/zinc/02/20/09/656022009.db2.gz QJXUHZWMYYHIGE-LBPRGKRZSA-N 1 0 377.341 2.716 20 0 GFADRO CSc1nc2ncnc(NCc3ccnc(OCC[NH+](C)C)c3)c2s1 ZINC000762582952 656050456 /nfs/dbraw/zinc/05/04/56/656050456.db2.gz VLKALBNFQCXROD-UHFFFAOYSA-N 1 0 376.511 2.756 20 0 GFADRO CC(C)(C)OC(=O)NC[C@@H]1CC[C@H]([NH2+]Cc2ccc(S(C)(=O)=O)s2)C1 ZINC000840951727 661217553 /nfs/dbraw/zinc/21/75/53/661217553.db2.gz IQMAMHMDTNGLCW-OLZOCXBDSA-N 1 0 388.555 2.935 20 0 GFADRO C[C@H]([NH2+]CCC1CCS(=O)(=O)CC1)c1cc(Br)ncc1F ZINC000762771491 656058338 /nfs/dbraw/zinc/05/83/38/656058338.db2.gz NPMJYBUCHHLPDS-JTQLQIEISA-N 1 0 379.295 2.849 20 0 GFADRO Fc1cc2ncnc(NC[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)c2cc1Br ZINC000762793619 656059003 /nfs/dbraw/zinc/05/90/03/656059003.db2.gz ITWIWYJQVUSVSY-GHMZBOCLSA-N 1 0 381.249 2.807 20 0 GFADRO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]C[C@H](C)CC(F)(F)F ZINC000840964908 661220908 /nfs/dbraw/zinc/22/09/08/661220908.db2.gz XOTKYXDHLQQONH-KOLCDFICSA-N 1 0 387.855 2.883 20 0 GFADRO CCCN(CC[NH+](CC)CC)S(=O)(=O)c1ccc(Cl)c(C(=O)OC)c1 ZINC000763618524 656088427 /nfs/dbraw/zinc/08/84/27/656088427.db2.gz BLHOBDXIPJYNRN-UHFFFAOYSA-N 1 0 390.933 2.869 20 0 GFADRO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]C[C@@H](C)CC(F)(F)F ZINC000840964910 661221871 /nfs/dbraw/zinc/22/18/71/661221871.db2.gz XOTKYXDHLQQONH-ONGXEEELSA-N 1 0 387.855 2.883 20 0 GFADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)C(=O)OC(C)(C)C ZINC000764864837 656121948 /nfs/dbraw/zinc/12/19/48/656121948.db2.gz HXMIUOOMZNTWLK-UHFFFAOYSA-N 1 0 385.302 2.681 20 0 GFADRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)c1cnn(-c2ccccc2)c1Br ZINC000765002394 656125564 /nfs/dbraw/zinc/12/55/64/656125564.db2.gz HUJDHAXMSSJNSD-JKSUJKDBSA-N 1 0 389.297 2.991 20 0 GFADRO C[C@]1(CNC(=O)Nc2cc3c(cc2Br)OCCO3)CCC[NH2+]C1 ZINC000841016378 661227739 /nfs/dbraw/zinc/22/77/39/661227739.db2.gz UNPUZRYUTCEGTN-INIZCTEOSA-N 1 0 384.274 2.732 20 0 GFADRO COC(=O)N1CCC[C@@H]([NH2+][C@H](C)CC(=O)Nc2cccc(Br)c2)C1 ZINC000765629966 656146233 /nfs/dbraw/zinc/14/62/33/656146233.db2.gz KSZURIRZKZRJND-IUODEOHRSA-N 1 0 398.301 2.987 20 0 GFADRO CC[C@H](NC(=O)C(=O)Nc1cccc(OCC[NH3+])c1)c1ccc(Cl)s1 ZINC000841037192 661229412 /nfs/dbraw/zinc/22/94/12/661229412.db2.gz ZDXVALAWFXAYGI-ZDUSSCGKSA-N 1 0 381.885 2.945 20 0 GFADRO O=Cc1ccc(OCC(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)c(Br)c1 ZINC000765800779 656152418 /nfs/dbraw/zinc/15/24/18/656152418.db2.gz VGMUPHVHWRUUKY-OAHLLOKOSA-N 1 0 395.297 2.774 20 0 GFADRO CS[C@@H]1CC[C@@H](NC(=O)C(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)C1 ZINC000841051870 661230220 /nfs/dbraw/zinc/23/02/20/661230220.db2.gz ZOKCRSCOVZZKBF-DGCLKSJQSA-N 1 0 375.416 2.503 20 0 GFADRO CS[C@@H]1CC[C@H]([NH2+][C@@H](C)c2cccc(S(=O)(=O)N3CCOCC3)c2)C1 ZINC000766227548 656165746 /nfs/dbraw/zinc/16/57/46/656165746.db2.gz YFRQPFDETHXHQC-BHYGNILZSA-N 1 0 384.567 2.642 20 0 GFADRO COc1cc([C@H](C)[NH2+]CCN2CCC[C@@H]2C)ccc1S(=O)(=O)C(F)F ZINC000766268424 656166904 /nfs/dbraw/zinc/16/69/04/656166904.db2.gz KZFRDPJMMBMYFU-STQMWFEESA-N 1 0 376.469 2.826 20 0 GFADRO C[NH+](C)CCCC1CCN(Cn2nnn(Cc3cccs3)c2=S)CC1 ZINC000766381408 656170096 /nfs/dbraw/zinc/17/00/96/656170096.db2.gz OMKOPACHLFVQGY-UHFFFAOYSA-N 1 0 380.587 2.930 20 0 GFADRO CN(C(=O)c1cc(=O)c2cc(Br)ccc2o1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000841116383 661234454 /nfs/dbraw/zinc/23/44/54/661234454.db2.gz YCTXGNJKWPHOHW-ZDUSSCGKSA-N 1 0 391.265 2.864 20 0 GFADRO O=S(=O)(N1CCC(C[NH2+]C[C@H]2C[C@H]2c2ccccc2)CC1)C(F)(F)F ZINC000767381405 656201143 /nfs/dbraw/zinc/20/11/43/656201143.db2.gz FEEGLRVMCMVFBD-CVEARBPZSA-N 1 0 376.444 2.941 20 0 GFADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C1SCCCS1 ZINC000841137814 661236401 /nfs/dbraw/zinc/23/64/01/661236401.db2.gz YUYDRHPFNQWOBD-UHFFFAOYSA-N 1 0 381.567 2.972 20 0 GFADRO C[C@@H](CCC[NH3+])NC(=O)Nc1cnc(Br)c(Br)c1 ZINC000841141198 661236567 /nfs/dbraw/zinc/23/65/67/661236567.db2.gz GKDPPJVQCBUQMR-ZETCQYMHSA-N 1 0 380.084 2.856 20 0 GFADRO [NH3+][C@H]1CCCN(C(=O)Nc2cnc(Br)c(Br)c2)C1 ZINC000841142431 661237424 /nfs/dbraw/zinc/23/74/24/661237424.db2.gz OLTOMIKUZTUVBX-ZETCQYMHSA-N 1 0 378.068 2.562 20 0 GFADRO COc1cc(S(=O)(=O)NC[C@@H](C)[N@H+](C)Cc2ccccc2)cnc1Cl ZINC000767777432 656219432 /nfs/dbraw/zinc/21/94/32/656219432.db2.gz ZORLXCBKPBJQIP-CYBMUJFWSA-N 1 0 383.901 2.542 20 0 GFADRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)Nc1ccc2cc(Br)ccc2c1 ZINC000841207506 661244319 /nfs/dbraw/zinc/24/43/19/661244319.db2.gz QQSPVRVKTZOHAQ-NWDGAFQWSA-N 1 0 390.281 2.750 20 0 GFADRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)Nc1ccc2cc(Br)ccc2c1 ZINC000841218638 661245320 /nfs/dbraw/zinc/24/53/20/661245320.db2.gz UBUOFZMJMURBOS-MEDUHNTESA-N 1 0 390.281 2.655 20 0 GFADRO CC[C@@H]1CN(C(=O)C(=O)Nc2ccc3nc(SC)sc3c2)CC[C@H]1[NH3+] ZINC000841227712 661246023 /nfs/dbraw/zinc/24/60/23/661246023.db2.gz LTPJBYMCIBSHTR-ZYHUDNBSSA-N 1 0 378.523 2.543 20 0 GFADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]CCCc1cccs1 ZINC000769692938 656285733 /nfs/dbraw/zinc/28/57/33/656285733.db2.gz WTOSEYYLTIWLAG-CYBMUJFWSA-N 1 0 387.958 2.988 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CNC(=S)NNc1ccc(Br)c(F)c1 ZINC000769763836 656290529 /nfs/dbraw/zinc/29/05/29/656290529.db2.gz QYYKCVCGKKSCCL-LLVKDONJSA-N 1 0 375.311 2.864 20 0 GFADRO COC1CC[NH+](C2(CNC(=O)c3cccc(Br)n3)CCCC2)CC1 ZINC000770287090 656315131 /nfs/dbraw/zinc/31/51/31/656315131.db2.gz VWFNRUYFLRMHEW-UHFFFAOYSA-N 1 0 396.329 2.998 20 0 GFADRO CC1(C)CC(NC(=O)c2nccn3c(Br)cnc23)CC(C)(C)[NH2+]1 ZINC000770379208 656317601 /nfs/dbraw/zinc/31/76/01/656317601.db2.gz IJCFPOMCNHWMOT-UHFFFAOYSA-N 1 0 380.290 2.531 20 0 GFADRO C[N@@H+]1CCCN(CCCNC(=O)C[C@@H](O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000772687445 656385973 /nfs/dbraw/zinc/38/59/73/656385973.db2.gz AAYNYMLRKWTJOF-QGZVFWFLSA-N 1 0 388.339 2.561 20 0 GFADRO CC[C@@H]([NH2+]CCS(=O)(=O)N1CCOCC1)c1ccc(Cl)c(Cl)c1 ZINC000772946213 656395039 /nfs/dbraw/zinc/39/50/39/656395039.db2.gz LGPLENWYCAXRKF-OAHLLOKOSA-N 1 0 381.325 2.696 20 0 GFADRO CO[C@@H](c1ccc(Br)cc1)[C@@H](C)NC(=S)NCCC[NH+](C)C ZINC000773173092 656402584 /nfs/dbraw/zinc/40/25/84/656402584.db2.gz IJAPNUMBKVCGAB-IUODEOHRSA-N 1 0 388.375 2.941 20 0 GFADRO CCc1c(Cl)nc(CS(C)(=O)=O)nc1NC[C@@H](C)C[NH+]1CCCCC1 ZINC000774517167 656533072 /nfs/dbraw/zinc/53/30/72/656533072.db2.gz FOPAXANIYUGEAN-CYBMUJFWSA-N 1 0 388.965 2.771 20 0 GFADRO COc1ccccc1[C@@H](O)C[NH2+]C[C@H](O)c1ccc(F)c(Br)c1 ZINC000774608142 656540232 /nfs/dbraw/zinc/54/02/32/656540232.db2.gz GLYBMMZISIJAHQ-HOTGVXAUSA-N 1 0 384.245 2.953 20 0 GFADRO O[C@H](C[NH2+]C[C@H](O)c1ccc(F)c(Br)c1)COc1ccccc1 ZINC000774614674 656541005 /nfs/dbraw/zinc/54/10/05/656541005.db2.gz VPJQSBLGPCDYFQ-DYVFJYSZSA-N 1 0 384.245 2.651 20 0 GFADRO C[C@H](CN1CCN(C)CC1)[NH2+]Cc1nc2ccc(Br)cc2s1 ZINC000774990793 656581800 /nfs/dbraw/zinc/58/18/00/656581800.db2.gz DGXYWWGYEIYRKL-GFCCVEGCSA-N 1 0 383.359 2.784 20 0 GFADRO CC(C)(C)OC(=O)N1CCN(CC[NH2+][C@@H]2CC[C@@H]3SCCS[C@@H]23)CC1 ZINC000775379728 656634436 /nfs/dbraw/zinc/63/44/36/656634436.db2.gz JPBOZVXBBGVKHR-PMPSAXMXSA-N 1 0 387.615 2.508 20 0 GFADRO CS(=O)(=O)[C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)c1ccc(OC(F)(F)F)cc1 ZINC000775380418 656634458 /nfs/dbraw/zinc/63/44/58/656634458.db2.gz INEUFVURXAGRFN-QLFBSQMISA-N 1 0 381.416 2.564 20 0 GFADRO CS[C@@H]1CN(C[C@@H](O)c2ccc(F)c(Br)c2)C[C@@H]1[NH+](C)C ZINC000775646464 656659151 /nfs/dbraw/zinc/65/91/51/656659151.db2.gz HETJFWARJTVGFY-RRFJBIMHSA-N 1 0 377.323 2.599 20 0 GFADRO COC(=O)N1CCC[C@H]([C@@H](C)[NH2+]CC(=O)N(C)Cc2ccc(Cl)s2)C1 ZINC000775810370 656681267 /nfs/dbraw/zinc/68/12/67/656681267.db2.gz KMVJWKNFDVICRD-OLZOCXBDSA-N 1 0 387.933 2.816 20 0 GFADRO CC[C@@H](Cc1ccccc1Br)[N@H+](C)CC(=O)N1CCO[C@H](C)C1 ZINC000775838908 656685133 /nfs/dbraw/zinc/68/51/33/656685133.db2.gz SFWVWCOLVDHIQO-ZBFHGGJFSA-N 1 0 383.330 2.949 20 0 GFADRO COc1cc(NC(=S)NC2CC[NH+](C)CC2)cc(OC)c1Br ZINC000776194285 656718700 /nfs/dbraw/zinc/71/87/00/656718700.db2.gz BOHCOJSLBRBZSP-UHFFFAOYSA-N 1 0 388.331 2.847 20 0 GFADRO CS[C@@H]1CC[C@@H]([NH2+]Cc2c(C)nn([C@@H]3CCS(=O)(=O)C3)c2Cl)C1 ZINC000776698887 656785135 /nfs/dbraw/zinc/78/51/35/656785135.db2.gz DFPMHGCNGOSEJK-JHJVBQTASA-N 1 0 377.963 2.578 20 0 GFADRO COC(=O)N1CCC([C@H](C)[NH2+]CCS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000776807229 656796479 /nfs/dbraw/zinc/79/64/79/656796479.db2.gz FXTITADPNIDHND-ZDUSSCGKSA-N 1 0 388.917 2.570 20 0 GFADRO OC[C@]1([NH2+][C@@H]2CC[C@H]3SCCS[C@H]23)CCCN(Cc2ccccc2)C1 ZINC000777027317 656804250 /nfs/dbraw/zinc/80/42/50/656804250.db2.gz WUEUUYAIRFCPJK-WTGUMLROSA-N 1 0 378.607 2.983 20 0 GFADRO C[C@H]([NH2+]C[C@@H]1CCC[C@]12NC(=O)N(C)C2=O)c1cc(Cl)c(N)c(Cl)c1 ZINC000777125603 656811397 /nfs/dbraw/zinc/81/13/97/656811397.db2.gz LERQQNXTUCAOAW-NSTVUXKKSA-N 1 0 385.295 2.947 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)NC[C@@H](C)[NH+]2CCCCC2)cc1Br ZINC000777127251 656811972 /nfs/dbraw/zinc/81/19/72/656811972.db2.gz CDLYTFGWJAUCKF-CQSZACIVSA-N 1 0 396.329 2.995 20 0 GFADRO CCS(=O)(=O)c1ccc(Cl)c(C(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)c1 ZINC000778408678 656880545 /nfs/dbraw/zinc/88/05/45/656880545.db2.gz XTFPFESDTQCZCL-CYBMUJFWSA-N 1 0 386.945 2.936 20 0 GFADRO Cn1cc([C@H](O)C[NH2+][C@@H](c2ccc(Br)cc2)[C@H]2CCCO2)cn1 ZINC000779071864 656898578 /nfs/dbraw/zinc/89/85/78/656898578.db2.gz GJJILAVKZBYSBB-ZACQAIPSSA-N 1 0 380.286 2.726 20 0 GFADRO CC(C)[C@@H]([NH2+]CC1CCN(S(=O)(=O)C(F)F)CC1)c1ccc(F)cn1 ZINC000779407732 656923977 /nfs/dbraw/zinc/92/39/77/656923977.db2.gz AYJJDPPZPIRAAM-OAHLLOKOSA-N 1 0 379.448 2.772 20 0 GFADRO CC(C)(C)n1cc(C(=O)N2CCN(c3cc[nH+]cc3)CC2)c(Br)n1 ZINC000779872948 656951864 /nfs/dbraw/zinc/95/18/64/656951864.db2.gz STUCYKBMBZQJGF-UHFFFAOYSA-N 1 0 392.301 2.758 20 0 GFADRO Cc1ccc(S(=O)(=O)NC[C@@H](C)[NH+]2CCCCC2)cc1Br ZINC000780717497 657025393 /nfs/dbraw/zinc/02/53/93/657025393.db2.gz FSIQRBPQLDUKNK-CYBMUJFWSA-N 1 0 375.332 2.910 20 0 GFADRO CCc1cccnc1[C@@H](C)[NH2+]CC1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000780723656 657026063 /nfs/dbraw/zinc/02/60/63/657026063.db2.gz JJIGNGMPYPMFPE-GFCCVEGCSA-N 1 0 379.448 2.856 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)c2cnc3ncc(Br)cc3c2)C1 ZINC000780856204 657033488 /nfs/dbraw/zinc/03/34/88/657033488.db2.gz HGKTZOSPZXPDKU-HUUCEWRRSA-N 1 0 377.286 2.995 20 0 GFADRO C[C@H]1CCC[N@@H+]1CCNS(=O)(=O)c1cc(Br)ccc1Cl ZINC000780865233 657034065 /nfs/dbraw/zinc/03/40/65/657034065.db2.gz FDWUFMNFMSMVKC-JTQLQIEISA-N 1 0 381.723 2.865 20 0 GFADRO CSCCCCCCNC(=S)N1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000782208694 657115431 /nfs/dbraw/zinc/11/54/31/657115431.db2.gz WTPZRHSEVNTDIB-MSOLQXFVSA-N 1 0 386.675 2.742 20 0 GFADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=S)NCCSc1ccccc1 ZINC000782403807 657138671 /nfs/dbraw/zinc/13/86/71/657138671.db2.gz AFIQRKRPYBOIKQ-MRXNPFEDSA-N 1 0 379.595 2.838 20 0 GFADRO Cc1c(NC(=O)NCC[N@@H+]2CCCOCC2)cnc(Cl)c1Br ZINC000782817422 657183298 /nfs/dbraw/zinc/18/32/98/657183298.db2.gz NLVCZTZIZKLFNZ-UHFFFAOYSA-N 1 0 391.697 2.650 20 0 GFADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1Cn1ncc(Br)c1C1CC1 ZINC000782900039 657191724 /nfs/dbraw/zinc/19/17/24/657191724.db2.gz VAVDWNRHJQCFGR-ZDUSSCGKSA-N 1 0 383.334 2.666 20 0 GFADRO Cc1cc(NC(=O)c2cccc(N3CC[NH+](C)CC3)n2)cnc1Br ZINC000783626011 657248071 /nfs/dbraw/zinc/24/80/71/657248071.db2.gz JXKILOGLEWUKQO-UHFFFAOYSA-N 1 0 390.285 2.552 20 0 GFADRO Cc1ccc([C@H](O)C[NH2+]C[C@H](O)COc2cc(F)cc(Br)c2)cc1 ZINC000783962624 657277940 /nfs/dbraw/zinc/27/79/40/657277940.db2.gz YDALAXSJUKFURF-FUHWJXTLSA-N 1 0 398.272 2.960 20 0 GFADRO CC[C@@](C)(CC(=O)OC)[NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000784339581 657301990 /nfs/dbraw/zinc/30/19/90/657301990.db2.gz MQVRGNFFHHMUQB-CJNGLKHVSA-N 1 0 392.265 2.649 20 0 GFADRO CC1CC[NH+]([C@@H](CNS(=O)(=O)C[C@@H]2CCCOC2)c2cccs2)CC1 ZINC000784730860 657324585 /nfs/dbraw/zinc/32/45/85/657324585.db2.gz QEYXMEFPYLKJLJ-SJORKVTESA-N 1 0 386.583 2.867 20 0 GFADRO C[C@@H]([NH2+]Cc1cc(Br)nn1C)c1ccc(N2CCOC2=O)cc1 ZINC000785438079 657364656 /nfs/dbraw/zinc/36/46/56/657364656.db2.gz BQPAUMOPQOGVCW-LLVKDONJSA-N 1 0 379.258 2.990 20 0 GFADRO CC[C@H](C(=O)NCc1ccc(C(=O)OC)cc1Br)[NH+](CC)CC ZINC000785849766 657389852 /nfs/dbraw/zinc/38/98/52/657389852.db2.gz PXHCJPXOCMYXES-OAHLLOKOSA-N 1 0 385.302 2.972 20 0 GFADRO C[NH+](C)CCc1ccc(CNS(=O)(=O)c2ccc(Cl)nc2Cl)cc1 ZINC000786125439 657407645 /nfs/dbraw/zinc/40/76/45/657407645.db2.gz GDDQLMUHJTWTNW-UHFFFAOYSA-N 1 0 388.320 2.971 20 0 GFADRO CCOC(=O)[C@@](C)(C[NH2+]Cc1cc(Br)nn1C)c1ccccc1 ZINC000787286860 657538866 /nfs/dbraw/zinc/53/88/66/657538866.db2.gz OOOSYHVBQZRXLJ-KRWDZBQOSA-N 1 0 380.286 2.793 20 0 GFADRO COc1cc(C(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)cnc1Br ZINC000788228623 657677012 /nfs/dbraw/zinc/67/70/12/657677012.db2.gz KSYVAESOMZQTNE-CYBMUJFWSA-N 1 0 382.302 2.657 20 0 GFADRO CC(C)N(CCC[NH2+][C@@H]1CCC[C@@H](S(C)(=O)=O)C1)C(=O)OC(C)(C)C ZINC000788594007 657749376 /nfs/dbraw/zinc/74/93/76/657749376.db2.gz KDXKSKOMZCLGKY-HZPDHXFCSA-N 1 0 376.563 2.967 20 0 GFADRO CO[C@H](C[NH2+]Cc1ccc(Br)cc1N1CCOCC1)C(F)(F)F ZINC000788962179 657803366 /nfs/dbraw/zinc/80/33/66/657803366.db2.gz HOIOWSZYNAACFT-CQSZACIVSA-N 1 0 397.235 2.953 20 0 GFADRO CCS(=O)(=O)c1ccc([C@H](C)NC(=S)NCC(C)(C)C[NH+](C)C)cc1 ZINC000789390165 657848113 /nfs/dbraw/zinc/84/81/13/657848113.db2.gz ZIYAMIYYIYRSOM-AWEZNQCLSA-N 1 0 385.599 2.593 20 0 GFADRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNS(=O)(=O)c1ccc2nc(Cl)cnc2c1 ZINC000790449575 657982571 /nfs/dbraw/zinc/98/25/71/657982571.db2.gz JOCFFZWMLVBGHG-HNNXBMFYSA-N 1 0 382.917 2.682 20 0 GFADRO COC(=O)[C@@H]1CC[C@@H]([NH2+][C@@H]2CCN(c3ccc(Br)c(C)c3)C2=O)C1 ZINC000790556058 657999068 /nfs/dbraw/zinc/99/90/68/657999068.db2.gz WRFVKDRRUOTMNI-XJKCOSOUSA-N 1 0 395.297 2.794 20 0 GFADRO C[NH+](C)CCOc1ccc(CNC(=O)c2nc(Br)ccc2F)cc1 ZINC000792132419 658237370 /nfs/dbraw/zinc/23/73/70/658237370.db2.gz LOUIEQIEMVFOJS-UHFFFAOYSA-N 1 0 396.260 2.854 20 0 GFADRO CS[C@H]1CN(C(=O)c2nc(Br)ccc2F)C[C@@H]1[NH+]1CCCC1 ZINC000792318285 658268781 /nfs/dbraw/zinc/26/87/81/658268781.db2.gz LVAGPBASDQYXRS-RYUDHWBXSA-N 1 0 388.306 2.635 20 0 GFADRO COc1ccc(Cl)cc1NC(=S)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000792680878 658308893 /nfs/dbraw/zinc/30/88/93/658308893.db2.gz MZGAHDGRUOXPAA-AWEZNQCLSA-N 1 0 382.961 2.804 20 0 GFADRO Cc1nc(SC(F)F)sc1CC(=O)NCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000792913734 658329814 /nfs/dbraw/zinc/32/98/14/658329814.db2.gz OMVPTNSNFPNRGK-QWRGUYRKSA-N 1 0 393.525 2.924 20 0 GFADRO O=C(C[NH2+][C@@H](c1cncc(Br)c1)C1CC1)NCc1ccccn1 ZINC000792933999 658330953 /nfs/dbraw/zinc/33/09/53/658330953.db2.gz JPOPIESKTWZPLX-QGZVFWFLSA-N 1 0 375.270 2.596 20 0 GFADRO CC[NH+](CC)[C@H](CNC(=O)C(=O)Nc1cccc(Br)n1)CC(C)C ZINC000792949926 658333332 /nfs/dbraw/zinc/33/33/32/658333332.db2.gz BVQLXWKATYTNDO-ZDUSSCGKSA-N 1 0 399.333 2.655 20 0 GFADRO CC(C)(C)OC(=O)NCC[C@H](O)C[NH2+]Cc1cc(F)ccc1Br ZINC000792959601 658335340 /nfs/dbraw/zinc/33/53/40/658335340.db2.gz OKYIIRHXMCDODQ-ZDUSSCGKSA-N 1 0 391.281 2.954 20 0 GFADRO Cc1nc(SC(F)F)sc1CC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C ZINC000793882937 658453396 /nfs/dbraw/zinc/45/33/96/658453396.db2.gz GSTVLMCEZWTQRZ-JTQLQIEISA-N 1 0 393.525 2.612 20 0 GFADRO Cc1nc(SC(F)F)sc1CC(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000793892548 658455542 /nfs/dbraw/zinc/45/55/42/658455542.db2.gz VBZUGPIDUQKCSR-SNVBAGLBSA-N 1 0 393.525 2.612 20 0 GFADRO COc1cc(/C=C\C(=O)N2C[C@@H]3CC[N@H+](C)C[C@@H]3C2)cc(Br)c1O ZINC000793925566 658458751 /nfs/dbraw/zinc/45/87/51/658458751.db2.gz CXLOCNFZCZXMFR-KBIGUFJUSA-N 1 0 395.297 2.587 20 0 GFADRO CCC[N@H+](CC)C[C@@H](C)NC(=O)COc1ccc(C=O)cc1Br ZINC000794217333 658503723 /nfs/dbraw/zinc/50/37/23/658503723.db2.gz IZPJSIQYUKBARO-CYBMUJFWSA-N 1 0 385.302 2.877 20 0 GFADRO C[NH+]1CCC([C@H]2CCN(Cn3c(=O)oc4cccc(Br)c43)C2)CC1 ZINC000794636407 658587953 /nfs/dbraw/zinc/58/79/53/658587953.db2.gz IVQMRJYELLXKBW-AWEZNQCLSA-N 1 0 394.313 2.978 20 0 GFADRO C[C@@H]1CN(C(=S)NCCCCC(F)(F)F)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000794981750 658644491 /nfs/dbraw/zinc/64/44/91/658644491.db2.gz FVTCBPUYEDVYFU-CABCVRRESA-N 1 0 380.524 2.551 20 0 GFADRO C[NH+](C)CCNC(=S)N1CCN(c2ccc(C(F)(F)F)cc2Cl)CC1 ZINC000795143168 658688785 /nfs/dbraw/zinc/68/87/85/658688785.db2.gz IUDLFLZWGJBNOF-UHFFFAOYSA-N 1 0 394.894 2.917 20 0 GFADRO CC(C)C[N@@H+]1CCO[C@H](COC(=O)COc2ccc(Br)cc2)C1 ZINC000795480096 658824322 /nfs/dbraw/zinc/82/43/22/658824322.db2.gz QZZSZVQJDUXKSG-INIZCTEOSA-N 1 0 386.286 2.728 20 0 GFADRO CN(C[C@H]1CCC[N@H+](Cn2ccc(=S)c3ccccc32)C1)S(C)(=O)=O ZINC000795649961 658839445 /nfs/dbraw/zinc/83/94/45/658839445.db2.gz DZYVRDSIIBLOKL-OAHLLOKOSA-N 1 0 379.551 2.932 20 0 GFADRO COc1c[nH+]ccc1N1CCN(C(=O)c2cc(Cl)c(N)c(Cl)c2)CC1 ZINC000796250654 658908882 /nfs/dbraw/zinc/90/88/82/658908882.db2.gz MKUIAGSVDSNVEC-UHFFFAOYSA-N 1 0 381.263 2.942 20 0 GFADRO NC(=O)C1([NH2+]Cc2ccc(I)cc2Cl)CCCC1 ZINC000796448271 658917924 /nfs/dbraw/zinc/91/79/24/658917924.db2.gz HCGIYJDNHLLKJA-UHFFFAOYSA-N 1 0 378.641 2.832 20 0 GFADRO Cc1cc(Br)cc(C[NH2+]C[C@H]2CCCC[C@@H]2NS(C)(=O)=O)c1 ZINC000796492857 658919558 /nfs/dbraw/zinc/91/95/58/658919558.db2.gz YTRCGHDEWPTVIZ-ZBFHGGJFSA-N 1 0 389.359 2.955 20 0 GFADRO O=C1[C@H]([NH2+][C@H]2CCCc3n[nH]cc32)CCN1c1cccc(Br)c1 ZINC000796973998 658957398 /nfs/dbraw/zinc/95/73/98/658957398.db2.gz UGWAICVQHKMGLA-GOEBONIOSA-N 1 0 375.270 2.945 20 0 GFADRO C[C@H]([NH2+]CCn1cc(Br)cn1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000797115496 658982274 /nfs/dbraw/zinc/98/22/74/658982274.db2.gz DRINSTDLMBNOOY-YJBOKZPZSA-N 1 0 393.329 2.525 20 0 GFADRO COc1cc(S(=O)(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)cnc1Cl ZINC000797845289 659059970 /nfs/dbraw/zinc/05/99/70/659059970.db2.gz RYDSSPJKWZACEX-CQSZACIVSA-N 1 0 387.933 2.819 20 0 GFADRO Nc1nc(N2CCC[C@@H](OC(=O)c3cc(F)cc(Br)c3)C2)cc[nH+]1 ZINC000798203397 659081249 /nfs/dbraw/zinc/08/12/49/659081249.db2.gz YTFAQSBNPKRBPC-CYBMUJFWSA-N 1 0 395.232 2.786 20 0 GFADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)N2CCC=C(Br)C2)[C@@H](C)C1 ZINC000799371306 659185138 /nfs/dbraw/zinc/18/51/38/659185138.db2.gz GZJWYFIENSTPJU-HOCLYGCPSA-N 1 0 388.350 2.818 20 0 GFADRO C[N@@H+]1CCN(CCNC(=O)c2ccc(OC(F)(F)Cl)cc2)CC1(C)C ZINC000799743204 659220089 /nfs/dbraw/zinc/22/00/89/659220089.db2.gz YYLDFFHMZSBXAM-UHFFFAOYSA-N 1 0 375.847 2.610 20 0 GFADRO Cc1nn(C)c(Br)c1C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000800889826 659343552 /nfs/dbraw/zinc/34/35/52/659343552.db2.gz YHMGRGYFNUNFGG-OAHLLOKOSA-N 1 0 391.313 2.885 20 0 GFADRO Cc1nn(C)c(Br)c1C(=O)N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC000801096459 659368105 /nfs/dbraw/zinc/36/81/05/659368105.db2.gz XRBDLWSMJRELIS-OAHLLOKOSA-N 1 0 391.313 2.838 20 0 GFADRO CC(C)[N@@H+]1CCO[C@@H](COC(=O)Cc2c(F)ccc(Br)c2F)C1 ZINC000802133425 659447123 /nfs/dbraw/zinc/44/71/23/659447123.db2.gz UMACCIMETIZCJY-LLVKDONJSA-N 1 0 392.240 2.922 20 0 GFADRO C[N@@H+]1CCC[C@H]2CN(CN3Cc4ccc(Br)cc4C3=O)CC[C@@H]21 ZINC000802732752 659499988 /nfs/dbraw/zinc/49/99/88/659499988.db2.gz HTAIKPQDACSHDI-YOEHRIQHSA-N 1 0 378.314 2.779 20 0 GFADRO CS[C@@H]1CN(C(=O)c2cnn(Cc3ccccc3)c2Cl)C[C@@H]1[NH+](C)C ZINC000802896288 659523979 /nfs/dbraw/zinc/52/39/79/659523979.db2.gz OQLNZKZATUXUTA-JKSUJKDBSA-N 1 0 378.929 2.702 20 0 GFADRO C[N@@H+]1CCCC[C@@H]1CCOC(=O)c1cc(N)cc(I)c1 ZINC000803851084 659609441 /nfs/dbraw/zinc/60/94/41/659609441.db2.gz UGJSZDWYRBEIFY-CQSZACIVSA-N 1 0 388.249 2.905 20 0 GFADRO CC(C)(C)Oc1nc(NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)ncc1Br ZINC000804396457 659642427 /nfs/dbraw/zinc/64/24/27/659642427.db2.gz IKUXLVPIYVBPGF-RYUDHWBXSA-N 1 0 385.306 2.692 20 0 GFADRO O=S(=O)(NCC[NH2+][C@@H]1CCc2nc(Cl)ccc21)c1cccc(Cl)c1 ZINC000806134873 659826344 /nfs/dbraw/zinc/82/63/44/659826344.db2.gz OSYVJEVEUQHLGA-CQSZACIVSA-N 1 0 386.304 2.944 20 0 GFADRO CC[NH+]1CCN(c2ccccc2NC(=O)NCC(F)(F)Br)CC1 ZINC000806154025 659826468 /nfs/dbraw/zinc/82/64/68/659826468.db2.gz AEVLQAXFKWPNIS-UHFFFAOYSA-N 1 0 391.260 2.938 20 0 GFADRO O=S(=O)(NCC[NH2+][C@@H]1CCc2nc(Cl)ccc21)c1ccc(F)cc1F ZINC000806164555 659826510 /nfs/dbraw/zinc/82/65/10/659826510.db2.gz WQZSRGQRCVOBID-CYBMUJFWSA-N 1 0 387.839 2.569 20 0 GFADRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1Cn1c2cc(Br)ccc2oc1=O ZINC000808193173 659881223 /nfs/dbraw/zinc/88/12/23/659881223.db2.gz VBDUMFQAAWTAFR-TZMCWYRMSA-N 1 0 380.286 2.873 20 0 GFADRO Cn1nc(Br)cc1CNc1ccc(Cl)c(C[N@H+](C)CCO)c1 ZINC000808412219 659893494 /nfs/dbraw/zinc/89/34/94/659893494.db2.gz SEWDGZUOBLFPFN-UHFFFAOYSA-N 1 0 387.709 2.872 20 0 GFADRO O[C@@H]1c2ccccc2OC[C@H]1[NH2+]Cc1cc(Br)c2c(c1)OCCO2 ZINC000808453530 659894871 /nfs/dbraw/zinc/89/48/71/659894871.db2.gz HNOBVBAKAHNIRE-RHSMWYFYSA-N 1 0 392.249 2.805 20 0 GFADRO Nc1nc(N2CCC[C@@H](OC(=O)c3cc(Br)cs3)C2)cc[nH+]1 ZINC000810769759 659985336 /nfs/dbraw/zinc/98/53/36/659985336.db2.gz DSLADOPLECDXSW-SNVBAGLBSA-N 1 0 383.271 2.709 20 0 GFADRO Nc1nc(N2CCC[C@@H](OC(=O)Cc3ccc(Br)cc3)C2)cc[nH+]1 ZINC000810769763 659985363 /nfs/dbraw/zinc/98/53/63/659985363.db2.gz DSWMDZSHFUWKJG-CQSZACIVSA-N 1 0 391.269 2.576 20 0 GFADRO C[C@H]1CCC[N@@H+]1CCNC(=O)C1(c2cccc(Br)c2)CC(=O)C1 ZINC000811171295 660003471 /nfs/dbraw/zinc/00/34/71/660003471.db2.gz WLSIZEXJEHOQNF-ZDUSSCGKSA-N 1 0 379.298 2.650 20 0 GFADRO CSC1(CNC(=S)NCCCN(C)c2ccccc2)CC[NH+](C)CC1 ZINC000811710463 660014584 /nfs/dbraw/zinc/01/45/84/660014584.db2.gz FWZCMWSCNCUJIR-UHFFFAOYSA-N 1 0 380.627 2.804 20 0 GFADRO Cc1cnn([C@@H]2CC[N@H+](Cn3nc(Br)c(=O)c4ccccc43)C2)c1 ZINC000811800300 660015519 /nfs/dbraw/zinc/01/55/19/660015519.db2.gz OGUBVKYAZWZXMT-CYBMUJFWSA-N 1 0 388.269 2.568 20 0 GFADRO C[N@@H+]1CC[C@]2(CCN(S(=O)(=O)/C=C/c3ccc(Br)cc3)C2)C1 ZINC000813760404 660063403 /nfs/dbraw/zinc/06/34/03/660063403.db2.gz SVOUVZQITPRDFH-RFKZRZAASA-N 1 0 385.327 2.777 20 0 GFADRO CC[NH+](CC)CC1CCN(S(=O)(=O)c2ccc(Cl)c3nonc32)CC1 ZINC000814387629 660079210 /nfs/dbraw/zinc/07/92/10/660079210.db2.gz QSFRZCPRCBQJOM-UHFFFAOYSA-N 1 0 386.905 2.619 20 0 GFADRO C[N@H+](CCN1CCCC1=O)C[C@](C)(O)c1ccc(Br)cc1Cl ZINC000815048295 660107175 /nfs/dbraw/zinc/10/71/75/660107175.db2.gz OYGAARPVSCLONU-INIZCTEOSA-N 1 0 389.721 2.864 20 0 GFADRO CCS(=O)(=O)CCN(C)C[C@@](C)(O)c1ccc(Br)cc1Cl ZINC000815076691 660109771 /nfs/dbraw/zinc/10/97/71/660109771.db2.gz KVPIYXWDCQCDLT-CQSZACIVSA-N 1 0 398.750 2.677 20 0 GFADRO CC[N@H+](CCOCCO)C[C@@](C)(O)c1ccc(Br)cc1Cl ZINC000815109591 660112830 /nfs/dbraw/zinc/11/28/30/660112830.db2.gz HJNWISDOAJPZBQ-OAHLLOKOSA-N 1 0 380.710 2.641 20 0 GFADRO Cn1ncc(C[NH2+]CCCNC(=O)c2cccc(Br)c2)c1Cl ZINC000815121733 660113788 /nfs/dbraw/zinc/11/37/88/660113788.db2.gz BXQCJQFBFSZJJY-UHFFFAOYSA-N 1 0 385.693 2.746 20 0 GFADRO C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1ccnc(Cl)c1I ZINC000816767793 660168267 /nfs/dbraw/zinc/16/82/67/660168267.db2.gz GCEGJNLHLVTETN-WPRPVWTQSA-N 1 0 393.656 2.504 20 0 GFADRO COc1ccc2nc(Cl)ccc2c1S(=O)(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000817149746 660183928 /nfs/dbraw/zinc/18/39/28/660183928.db2.gz GWTPVBBINKBQQC-LBPRGKRZSA-N 1 0 383.901 2.612 20 0 GFADRO C[N@@H+]1CCC[C@@H](CCNS(=O)(=O)c2cc(Br)cnc2Cl)C1 ZINC000841547723 661295911 /nfs/dbraw/zinc/29/59/11/661295911.db2.gz ADBYVNGTTAZEEN-JTQLQIEISA-N 1 0 396.738 2.508 20 0 GFADRO CN(C(C)(C)C[NH+]1CCCC1)S(=O)(=O)c1cc2c(cc1Cl)CCC2=O ZINC000841571557 661305094 /nfs/dbraw/zinc/30/50/94/661305094.db2.gz FPABMAGUQJDZOZ-UHFFFAOYSA-N 1 0 384.929 2.964 20 0 GFADRO O=C(NCCc1ccc(Br)cc1F)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000841795706 661313961 /nfs/dbraw/zinc/31/39/61/661313961.db2.gz VRGAHGWMHFYMFW-UMVBOHGHSA-N 1 0 384.293 2.818 20 0 GFADRO CC[NH+](CC)CC[C@H](CO)NC(=O)Nc1cnc(Cl)c(C(F)(F)F)c1 ZINC000841797047 661313963 /nfs/dbraw/zinc/31/39/63/661313963.db2.gz SHCGAHZHTJMHSN-SNVBAGLBSA-N 1 0 382.814 2.968 20 0 GFADRO COC(=O)c1ccc(CNC(=O)NCC2([NH3+])CCCCC2)c(Br)c1 ZINC000841924262 661317636 /nfs/dbraw/zinc/31/76/36/661317636.db2.gz QRNASJMQHCDSRC-UHFFFAOYSA-N 1 0 398.301 2.697 20 0 GFADRO [NH3+]C[C@H](NC(=O)NC[C@H](O)c1ccccc1Br)C1CCCCC1 ZINC000841939007 661318011 /nfs/dbraw/zinc/31/80/11/661318011.db2.gz KDXZWEXJSYZXNV-HOTGVXAUSA-N 1 0 384.318 2.689 20 0 GFADRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N1CCO[C@H](c2ccccc2Br)C1 ZINC000841975228 661318748 /nfs/dbraw/zinc/31/87/48/661318748.db2.gz DQBBXDCEMFRCBO-WQVCFCJDSA-N 1 0 382.302 2.530 20 0 GFADRO O=C(NCCC1=CC[NH2+]CC1)N1CCO[C@@H](c2ccccc2Br)C1 ZINC000841990179 661319146 /nfs/dbraw/zinc/31/91/46/661319146.db2.gz YJCUYTUKSLTRJS-QGZVFWFLSA-N 1 0 394.313 2.842 20 0 GFADRO CN(C[C@@H](O)c1ccccc1Br)C(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000842006511 661319733 /nfs/dbraw/zinc/31/97/33/661319733.db2.gz TXQHHYACMIJJFI-XJKSGUPXSA-N 1 0 384.318 2.656 20 0 GFADRO C[NH+]1CCC2(CCN2C(=O)c2cc(=O)c3cc(Br)ccc3o2)CC1 ZINC000842235081 661329380 /nfs/dbraw/zinc/32/93/80/661329380.db2.gz YIZAYPNLJWTREF-UHFFFAOYSA-N 1 0 391.265 2.866 20 0 GFADRO CC[NH+]1CCC(N2C(=O)[C@@H]3Cc4c(Br)cccc4CN3C2=O)CC1 ZINC000842235214 661329480 /nfs/dbraw/zinc/32/94/80/661329480.db2.gz JFWWSRQGHBYOES-INIZCTEOSA-N 1 0 392.297 2.622 20 0 GFADRO Cn1nnc(Br)c1COC(=O)c1cccc(C[NH+]2CCCCC2)c1 ZINC000842373369 661335846 /nfs/dbraw/zinc/33/58/46/661335846.db2.gz AWWWGKVTRBHAPC-UHFFFAOYSA-N 1 0 393.285 2.921 20 0 GFADRO O=S(=O)(c1c(F)c(F)c(F)c(F)c1F)N1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000842480988 661341243 /nfs/dbraw/zinc/34/12/43/661341243.db2.gz CNFJUBZMUAUGOG-IUCAKERBSA-N 1 0 384.370 2.677 20 0 GFADRO CCN(CC)S(=O)(=O)c1cc(-c2nc([C@H](C)C[NH2+]C)no2)ccc1Cl ZINC000842577044 661344173 /nfs/dbraw/zinc/34/41/73/661344173.db2.gz KZOVOPDFLLFBJQ-LLVKDONJSA-N 1 0 386.905 2.743 20 0 GFADRO COc1ccc2nc(Cl)ccc2c1S(=O)(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000842827508 661356706 /nfs/dbraw/zinc/35/67/06/661356706.db2.gz KDMQDHZQMFDXMQ-QGZVFWFLSA-N 1 0 383.901 2.565 20 0 GFADRO O=S(=O)(c1c(Cl)ccnc1Cl)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000842875197 661358223 /nfs/dbraw/zinc/35/82/23/661358223.db2.gz MKMDAPBGLXLMQB-NEPJUHHUSA-N 1 0 378.325 2.789 20 0 GFADRO CC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000842876197 661358531 /nfs/dbraw/zinc/35/85/31/661358531.db2.gz RIKWIKYSFUXQLT-CVEARBPZSA-N 1 0 384.929 2.943 20 0 GFADRO O[C@H](C[NH2+]C[C@H](O)c1cccc(F)c1)COc1ccc(Br)cc1 ZINC000843069130 661366228 /nfs/dbraw/zinc/36/62/28/661366228.db2.gz JUXHIIVYQSDTBT-WBVHZDCISA-N 1 0 384.245 2.651 20 0 GFADRO C[C@](O)(C[NH2+]C[C@@H](O)Cc1ccccc1)c1ccc(Br)cc1F ZINC000843071498 661366374 /nfs/dbraw/zinc/36/63/74/661366374.db2.gz KEVFMKPXZLWZTP-YJBOKZPZSA-N 1 0 382.273 2.989 20 0 GFADRO Cc1ccccc1[C@@H](O)C[NH2+]C[C@@H](O)COc1ccc(Br)cc1 ZINC000843073348 661366559 /nfs/dbraw/zinc/36/65/59/661366559.db2.gz HCZJTIDTQBIEQO-QAPCUYQASA-N 1 0 380.282 2.820 20 0 GFADRO O[C@H](CC[NH2+]C[C@H](O)COc1cccc(Br)c1)c1ccccc1 ZINC000843087698 661367247 /nfs/dbraw/zinc/36/72/47/661367247.db2.gz KUWLYVYRLYQUJI-FUHWJXTLSA-N 1 0 380.282 2.902 20 0 GFADRO Cc1ccc(OC[C@H](O)C[NH2+]C[C@H](O)c2ccccc2Br)cc1 ZINC000843097633 661367705 /nfs/dbraw/zinc/36/77/05/661367705.db2.gz ZZIFUAGRKNYKGU-KDOFPFPSSA-N 1 0 380.282 2.820 20 0 GFADRO O[C@@H](C[NH2+]C[C@H](O)c1ccc(F)c(Br)c1)Cc1cccc(F)c1 ZINC000843102889 661368104 /nfs/dbraw/zinc/36/81/04/661368104.db2.gz XAHKHGVFXLJYDE-PBHICJAKSA-N 1 0 386.236 2.954 20 0 GFADRO CC(C)(C)[C@H](O)C[C@H](CO)[NH2+]C[C@](C)(O)c1ccc(Br)cc1F ZINC000843103493 661368116 /nfs/dbraw/zinc/36/81/16/661368116.db2.gz AJRODWMGCCTHSK-VMGRFDJRSA-N 1 0 392.309 2.543 20 0 GFADRO O[C@H](C[NH2+]C[C@H](O)c1ccc(F)cc1)COc1cccc(Br)c1 ZINC000843109076 661368267 /nfs/dbraw/zinc/36/82/67/661368267.db2.gz XKTAHYQAPQHNBR-WBVHZDCISA-N 1 0 384.245 2.651 20 0 GFADRO O[C@@H](C[NH2+]C[C@H](O)COc1cccc(Br)c1)c1ccc(F)cc1 ZINC000843109073 661368415 /nfs/dbraw/zinc/36/84/15/661368415.db2.gz XKTAHYQAPQHNBR-RDJZCZTQSA-N 1 0 384.245 2.651 20 0 GFADRO Cc1ccc(C[C@@H](CO)C[NH2+]C[C@H](O)c2ccc(F)cn2)cc1Br ZINC000843115006 661369353 /nfs/dbraw/zinc/36/93/53/661369353.db2.gz FNTDVEIOUYRLJZ-KDOFPFPSSA-N 1 0 397.288 2.766 20 0 GFADRO COc1ccc(C[C@@H](CO)C[NH2+]CC2(O)CCCCC2)cc1Br ZINC000843117423 661369562 /nfs/dbraw/zinc/36/95/62/661369562.db2.gz PSPQLEUFQFLOSO-OAHLLOKOSA-N 1 0 386.330 2.894 20 0 GFADRO Cn1ccnc1[C@@H]1C[NH2+]CCN1Cc1nc2ccc(Br)cc2s1 ZINC000843121309 661370003 /nfs/dbraw/zinc/37/00/03/661370003.db2.gz CRBKJAMGFSTVSF-ZDUSSCGKSA-N 1 0 392.326 2.939 20 0 GFADRO CC(C)[C@H]([NH3+])c1noc(Cc2ccc(S(=O)(=O)N3CCCCC3)s2)n1 ZINC000843149584 661370692 /nfs/dbraw/zinc/37/06/92/661370692.db2.gz BSPOJFRKLFYQJT-HNNXBMFYSA-N 1 0 384.527 2.552 20 0 GFADRO CC(C)[C@H]([NH3+])c1noc(-c2cccn3c(I)cnc23)n1 ZINC000843154712 661371168 /nfs/dbraw/zinc/37/11/68/661371168.db2.gz NONCATBSNBHWGC-JTQLQIEISA-N 1 0 383.193 2.645 20 0 GFADRO COc1cc(Cc2noc(C[C@H](C)[NH3+])n2)c(Br)cc1OC(F)F ZINC000843202779 661372127 /nfs/dbraw/zinc/37/21/27/661372127.db2.gz KDDZPPUOHGVZGR-ZETCQYMHSA-N 1 0 392.200 2.923 20 0 GFADRO COc1ccc(Cc2noc(C3CC[NH2+]CC3)n2)c(Br)c1OC ZINC000843203655 661372493 /nfs/dbraw/zinc/37/24/93/661372493.db2.gz VTAAUOLZEMVGJC-UHFFFAOYSA-N 1 0 382.258 2.907 20 0 GFADRO C[C@@]1(c2nc(-c3n[nH]c(-c4cccc(Br)c4)n3)no2)CC[NH2+]C1 ZINC000843227886 661374032 /nfs/dbraw/zinc/37/40/32/661374032.db2.gz KMDUHIPFBAWSCG-OAHLLOKOSA-N 1 0 375.230 2.535 20 0 GFADRO C[C@H](CC[NH3+])NC(=O)c1ccccc1N(C)C(=O)c1ccc(Br)o1 ZINC000843454587 661381942 /nfs/dbraw/zinc/38/19/42/661381942.db2.gz CWQIMKVZGVYYEB-LLVKDONJSA-N 1 0 394.269 2.786 20 0 GFADRO CS(=O)(=O)c1cc(C(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)ccc1Cl ZINC000843481499 661382896 /nfs/dbraw/zinc/38/28/96/661382896.db2.gz JFIPDQRUCRZUNX-LSDHHAIUSA-N 1 0 384.929 2.595 20 0 GFADRO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)N[C@H](CC[NH3+])C(F)F ZINC000843485291 661383086 /nfs/dbraw/zinc/38/30/86/661383086.db2.gz ZLFYZAYWRUFUQQ-SNVBAGLBSA-N 1 0 389.196 2.576 20 0 GFADRO CC(C)(C)NS(=O)(=O)c1ccc(Cl)c(C(=O)NCCCCCC[NH3+])c1 ZINC000843512864 661383776 /nfs/dbraw/zinc/38/37/76/661383776.db2.gz SOAFNFDIBHOBJY-UHFFFAOYSA-N 1 0 389.949 2.666 20 0 GFADRO CC(C)N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)NCCCCCC[NH3+])c1 ZINC000843506672 661383797 /nfs/dbraw/zinc/38/37/97/661383797.db2.gz MFKFFPVTFMARRR-UHFFFAOYSA-N 1 0 389.949 2.618 20 0 GFADRO COCC[N@H+]1[C@H](C)CN(C(=O)Cc2sc(SC(F)F)nc2C)C[C@@H]1C ZINC000844024512 661400715 /nfs/dbraw/zinc/40/07/15/661400715.db2.gz KHSCLLHJTUTMGN-PHIMTYICSA-N 1 0 393.525 2.876 20 0 GFADRO COc1cc(CNC(=O)C2CC[NH+](C3CC3)CC2)c(Br)cc1O ZINC000844124785 661406500 /nfs/dbraw/zinc/40/65/00/661406500.db2.gz WZGONACJGZLEEA-UHFFFAOYSA-N 1 0 383.286 2.654 20 0 GFADRO Cn1nc2cc(Br)ccc2c1C(=O)N1CCC12CC[NH+](C)CC2 ZINC000844133836 661407101 /nfs/dbraw/zinc/40/71/01/661407101.db2.gz FBEVMRHLIPFCNV-UHFFFAOYSA-N 1 0 377.286 2.646 20 0 GFADRO Cc1cc([C@H]([NH3+])CC(=O)N2CCC([C@H](O)C(F)(F)F)CC2)cc(Cl)n1 ZINC000844202864 661409383 /nfs/dbraw/zinc/40/93/83/661409383.db2.gz OZLAGXAWOZPYRO-DOMZBBRYSA-N 1 0 379.810 2.595 20 0 GFADRO C[NH+](C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)OCc1csc(Cl)n1 ZINC000845240186 661463028 /nfs/dbraw/zinc/46/30/28/661463028.db2.gz SSWWWXFBNXXDCB-LLVKDONJSA-N 1 0 377.894 2.685 20 0 GFADRO C[C@H](CC(=O)O[C@H]1CCN(c2cccc(Br)c2)C1=O)n1ccnc1 ZINC000845286985 661464131 /nfs/dbraw/zinc/46/41/31/661464131.db2.gz YMKVIFAKDBONCP-DOMZBBRYSA-N 1 0 392.253 2.945 20 0 GFADRO O=C(NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1snc(Cl)c1Cl ZINC000845672133 661487818 /nfs/dbraw/zinc/48/78/18/661487818.db2.gz NWMBOEOHBHSUDX-INIZCTEOSA-N 1 0 386.304 2.817 20 0 GFADRO [NH3+]CC1(CCNC(=O)N2CCO[C@@H](c3ccccc3Br)C2)CC1 ZINC000846185141 661536950 /nfs/dbraw/zinc/53/69/50/661536950.db2.gz PSQYQTYQXIDCAR-OAHLLOKOSA-N 1 0 382.302 2.661 20 0 GFADRO COc1cc([C@@H](C)[NH2+][C@@H]2CCN(S(C)(=O)=O)C2)ccc1SC(F)F ZINC000846186698 661537295 /nfs/dbraw/zinc/53/72/95/661537295.db2.gz ZMUHODYTIQDJRP-ZYHUDNBSSA-N 1 0 380.482 2.694 20 0 GFADRO COc1cc([C@H](C)[NH2+]CCC2(CO)CCC2)ccc1S(=O)(=O)C(F)F ZINC000846209623 661538459 /nfs/dbraw/zinc/53/84/59/661538459.db2.gz GDDVXHXUYRGASK-LBPRGKRZSA-N 1 0 377.453 2.895 20 0 GFADRO COc1ccc2nc(Cl)ccc2c1S(=O)(=O)NCCC1CC[NH2+]CC1 ZINC000846234684 661539542 /nfs/dbraw/zinc/53/95/42/661539542.db2.gz VWPQJAMQVUVCSB-UHFFFAOYSA-N 1 0 383.901 2.565 20 0 GFADRO C[N@H+](CCCNC(=O)C(=O)NCC[C@]1(C)C[C@@]1(F)Cl)C1CCCCC1 ZINC000846722134 661562522 /nfs/dbraw/zinc/56/25/22/661562522.db2.gz RRQLCCYWKPDBRK-MSOLQXFVSA-N 1 0 375.916 2.578 20 0 GFADRO CN(C(=O)c1nc(Cl)sc1Cl)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000847486130 661594373 /nfs/dbraw/zinc/59/43/73/661594373.db2.gz XASZKWSSFZOFSH-LLVKDONJSA-N 1 0 377.341 2.690 20 0 GFADRO C[NH+](C)CCn1ccc(C(=O)NCC[C@H](O)c2ccc(Cl)c(Cl)c2)n1 ZINC000847908854 661616264 /nfs/dbraw/zinc/61/62/64/661616264.db2.gz KNFDOAVZKQPALX-INIZCTEOSA-N 1 0 385.295 2.605 20 0 GFADRO COC[C@@H](CC(C)(C)C)[NH2+]Cc1c(C)nn([C@H]2CCS(=O)(=O)C2)c1Cl ZINC000848566890 661665081 /nfs/dbraw/zinc/66/50/81/661665081.db2.gz LNBUAKXCXWHSAI-KGLIPLIRSA-N 1 0 391.965 2.745 20 0 GFADRO C[NH+]1CCC(NC(=S)N2CCOc3cccc(Br)c3C2)CC1 ZINC000848652267 661670119 /nfs/dbraw/zinc/67/01/19/661670119.db2.gz JJFARYHCFVCFGR-UHFFFAOYSA-N 1 0 384.343 2.612 20 0 GFADRO COC[C@@H](C)NC(=[NH2+])NCc1ccc(I)c(Cl)c1 ZINC000848988016 661689999 /nfs/dbraw/zinc/68/99/99/661689999.db2.gz YLOZIHMLLHAVIE-MRVPVSSYSA-N 1 0 381.645 2.593 20 0 GFADRO [NH2+]=C(NCCNS(=O)(=O)c1ccc(Cl)cc1F)NC1CCCCCC1 ZINC000849108557 661692437 /nfs/dbraw/zinc/69/24/37/661692437.db2.gz XVICKDQQDHERSY-UHFFFAOYSA-N 1 0 390.912 2.594 20 0 GFADRO CC(C)(C)OC(=O)NCCNC(=[NH2+])NCc1ccc(F)cc1Br ZINC000849111455 661692872 /nfs/dbraw/zinc/69/28/72/661692872.db2.gz OQPKEIJKQOEXST-UHFFFAOYSA-N 1 0 389.269 2.727 20 0 GFADRO COc1ccc(Br)cc1C[C@H](CO)CNC(=[NH2+])N1CCC[C@@H](C)C1 ZINC000849116247 661693079 /nfs/dbraw/zinc/69/30/79/661693079.db2.gz IGCBENUSZXPRPU-KGLIPLIRSA-N 1 0 398.345 2.865 20 0 GFADRO COc1ccc(Br)cc1C[C@H](CO)CNC(=[NH2+])Nc1ccccn1 ZINC000849117205 661693821 /nfs/dbraw/zinc/69/38/21/661693821.db2.gz WHSGPLSOBBYDHW-LBPRGKRZSA-N 1 0 393.285 2.640 20 0 GFADRO O=S(=O)(N[C@@H]1CC[N@@H+](C2CCCCC2)C1)c1c(Cl)nc2sccn21 ZINC000849461493 661730200 /nfs/dbraw/zinc/73/02/00/661730200.db2.gz SCLVRKLEKOAZNO-LLVKDONJSA-N 1 0 388.946 2.735 20 0 GFADRO COc1ccc(OC)c([C@@H](O)C[NH2+]Cc2cncc(Br)c2C)c1 ZINC000850021567 661762732 /nfs/dbraw/zinc/76/27/32/661762732.db2.gz KGGKLJBSUAKZGR-INIZCTEOSA-N 1 0 381.270 2.993 20 0 GFADRO CC(C)(C)OC(=O)Nc1ccc(C[NH2+]CC[S@@](=O)CC(F)(F)F)cn1 ZINC000850347940 661770912 /nfs/dbraw/zinc/77/09/12/661770912.db2.gz BEKXDQJRXMSEMT-RUZDIDTESA-N 1 0 381.420 2.829 20 0 GFADRO CC1(C)C[C@H]([NH2+]CCS(=O)(=O)CC(F)(F)F)CN1Cc1ccccc1 ZINC000850364598 661772417 /nfs/dbraw/zinc/77/24/17/661772417.db2.gz LHVXMHAXFDEOMJ-HNNXBMFYSA-N 1 0 378.460 2.606 20 0 GFADRO C[C@@H]([NH2+]CCC1(CS(C)(=O)=O)CC1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000850485794 661778446 /nfs/dbraw/zinc/77/84/46/661778446.db2.gz NOQMZFAYUJJCQN-GFCCVEGCSA-N 1 0 395.493 2.548 20 0 GFADRO CC(C)[C@@H](CC[NH2+][C@H]1CCCC[C@@H]1S(C)(=O)=O)NC(=O)OC(C)(C)C ZINC000850565484 661781804 /nfs/dbraw/zinc/78/18/04/661781804.db2.gz CCYSGADHOVBYAY-PMPSAXMXSA-N 1 0 376.563 2.871 20 0 GFADRO CCN(C(=O)C(=O)Nc1cccc(C2SCCS2)c1)[C@@H]1CC[N@H+](C)C1 ZINC000850582936 661782130 /nfs/dbraw/zinc/78/21/30/661782130.db2.gz IBGKQFFWEXFQRP-OAHLLOKOSA-N 1 0 379.551 2.656 20 0 GFADRO CN(CC1C[NH+](C)C1)C(=O)C(=O)Nc1cccc(Cl)c1SC(F)F ZINC000850628602 661783761 /nfs/dbraw/zinc/78/37/61/661783761.db2.gz PAGZYMXDOVHHPA-UHFFFAOYSA-N 1 0 377.844 2.613 20 0 GFADRO CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccccc2SC(F)(F)F)C1 ZINC000850681419 661785401 /nfs/dbraw/zinc/78/54/01/661785401.db2.gz GATSZNIFFVIKTA-LLVKDONJSA-N 1 0 375.416 2.838 20 0 GFADRO Cn1c(Cl)cnc1-c1csc(NC(=O)N[C@H]2CC[NH2+]C23CCCC3)n1 ZINC000850754614 661790661 /nfs/dbraw/zinc/79/06/61/661790661.db2.gz UAVRFDLTIXYYAF-NSHDSACASA-N 1 0 380.905 2.993 20 0 GFADRO CC(C)(C)OC(=O)NCCNC(=O)[C@@H]1CCC[N@H+](CC=C(Cl)Cl)C1 ZINC000851740731 661830024 /nfs/dbraw/zinc/83/00/24/661830024.db2.gz WTSJMOZCCQBQDE-GFCCVEGCSA-N 1 0 380.316 2.658 20 0 GFADRO CNS(=O)(=O)c1ccc(C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2cccs2)cc1 ZINC000851802171 661832775 /nfs/dbraw/zinc/83/27/75/661832775.db2.gz DMHJALAZHSYHKR-NVXWUHKLSA-N 1 0 380.535 2.744 20 0 GFADRO CCOP(=O)(OCC)[C@H](O)C[N@@H+]1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000851804489 661833207 /nfs/dbraw/zinc/83/32/07/661833207.db2.gz RCPGFKIVMIHWGD-KBPBESRZSA-N 1 0 380.422 2.512 20 0 GFADRO C[NH+](C)CCOc1ccccc1N1CCN(CC(F)(F)Br)CC1 ZINC000851847388 661838618 /nfs/dbraw/zinc/83/86/18/661838618.db2.gz FAQKPLMMVAHPLI-UHFFFAOYSA-N 1 0 392.288 2.737 20 0 GFADRO CCOP(=O)(OCC)[C@H](O)C[NH+]1CCC(Oc2cncc(Cl)n2)CC1 ZINC000851953536 661846785 /nfs/dbraw/zinc/84/67/85/661846785.db2.gz BGSBWHKTJXRBKB-HNNXBMFYSA-N 1 0 393.808 2.558 20 0 GFADRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)N2CCn3ncc(Br)c3C2)C1 ZINC000851979014 661847798 /nfs/dbraw/zinc/84/77/98/661847798.db2.gz SEXFJIJIAGLUJN-ZIAGYGMSSA-N 1 0 398.349 2.539 20 0 GFADRO Cc1cc(Br)ccc1C[N@@H+](C)C[C@@](O)(C(N)=O)c1ccccc1 ZINC000851989971 661847994 /nfs/dbraw/zinc/84/79/94/661847994.db2.gz ZLNQMSNRLQHIEZ-SFHVURJKSA-N 1 0 377.282 2.562 20 0 GFADRO C[C@@H]([NH2+]CCn1cnc(Br)n1)c1ccc(N2CCCCC2=O)cc1 ZINC000852064737 661851314 /nfs/dbraw/zinc/85/13/14/661851314.db2.gz QFZFIGVHGZUYBL-CYBMUJFWSA-N 1 0 392.301 2.908 20 0 GFADRO C[N@@H+](CCc1cccc(Br)c1)CCn1cnc(Br)n1 ZINC000852072888 661851641 /nfs/dbraw/zinc/85/16/41/661851641.db2.gz LSQMVTCREGCQJR-UHFFFAOYSA-N 1 0 388.107 2.978 20 0 GFADRO COC(=O)[C@@H]1C[N@H+](C[C@H]2COC(C)(C)O2)C[C@H]1c1ccc(Br)cc1 ZINC000852191443 661856126 /nfs/dbraw/zinc/85/61/26/661856126.db2.gz WXRXRBVVVMHJEA-HRCADAONSA-N 1 0 398.297 2.789 20 0 GFADRO O=C(NC[C@@H]1CC[N@@H+]1Cc1ccccc1)N[C@@H]1CC[C@H]2SCCS[C@@H]12 ZINC000852231225 661857218 /nfs/dbraw/zinc/85/72/18/661857218.db2.gz KUETWAUHQNQJAL-MLHJIOFPSA-N 1 0 377.579 2.940 20 0 GFADRO C[C@@H]1[C@@H](c2ccc(Br)cc2)OCCN1C[C@H](O)C[NH+]1CCCC1 ZINC000852468783 661865377 /nfs/dbraw/zinc/86/53/77/661865377.db2.gz UPDRYCVYDIKGKL-OLMNPRSZSA-N 1 0 383.330 2.668 20 0 GFADRO O[C@@H](C[N@H+](CCN1CCOCC1)CC1CC1)c1ccc(Br)cc1 ZINC000852637081 661869386 /nfs/dbraw/zinc/86/93/86/661869386.db2.gz ROLLSQDIEDZKDJ-SFHVURJKSA-N 1 0 383.330 2.527 20 0 GFADRO CC(C)[C@H]([NH2+]C[C@@H]1CCCN(S(C)(=O)=O)C1)[C@H](O)c1ccc(Cl)cc1 ZINC000852730994 661872463 /nfs/dbraw/zinc/87/24/63/661872463.db2.gz HPBLDCKENSWSJB-JCGIZDLHSA-N 1 0 388.961 2.659 20 0 GFADRO [NH3+][C@@H](CC(=O)NCc1cc(Cl)ccc1I)C1CC1 ZINC000852843969 661875761 /nfs/dbraw/zinc/87/57/61/661875761.db2.gz LIFBWYYLOKNDQY-LBPRGKRZSA-N 1 0 378.641 2.688 20 0 GFADRO [NH3+]C[C@H]1CC(C(=O)N2CCC(OCc3ccc(Cl)c(Cl)c3)CC2)=NO1 ZINC000852849962 661875774 /nfs/dbraw/zinc/87/57/74/661875774.db2.gz MOJFHIFSCZUIMX-CYBMUJFWSA-N 1 0 386.279 2.605 20 0 GFADRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)c3cnn(-c4ccccc4)c3Br)C[C@@H]21 ZINC000852876365 661876235 /nfs/dbraw/zinc/87/62/35/661876235.db2.gz ZMKXIFYYNZIKTL-VBNZEHGJSA-N 1 0 389.297 2.834 20 0 GFADRO O=C(c1cnn(-c2ccccc2)c1Br)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000852893476 661876653 /nfs/dbraw/zinc/87/66/53/661876653.db2.gz XFEPYBSRCKUNGZ-QGZVFWFLSA-N 1 0 375.270 2.603 20 0 GFADRO CC(C)[C@H](C(=O)N1CC[C@@]2(C)[C@@H](C1)C2(Br)Br)[C@@H](C)[NH3+] ZINC000852901628 661876792 /nfs/dbraw/zinc/87/67/92/661876792.db2.gz MFHLUTMYEFYBCB-DCQANWLSSA-N 1 0 396.167 2.960 20 0 GFADRO Cn1c(Cl)cnc1-c1csc(NC(=O)[C@]2(C(F)(F)F)CC[NH2+]C2)n1 ZINC000852901971 661877085 /nfs/dbraw/zinc/87/70/85/661877085.db2.gz XUWPILHBDNEUJA-LBPRGKRZSA-N 1 0 379.795 2.678 20 0 GFADRO S=C(Nc1cccc(Br)c1)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000853028762 661878971 /nfs/dbraw/zinc/87/89/71/661878971.db2.gz GHQDOBPOMCVBII-HNNXBMFYSA-N 1 0 384.343 2.989 20 0 GFADRO O[C@@H]1CC[N@@H+](C2CCN(C(=S)Nc3ccc(Br)cc3)CC2)C1 ZINC000853043249 661879506 /nfs/dbraw/zinc/87/95/06/661879506.db2.gz IAPJGGKIJFEOIK-OAHLLOKOSA-N 1 0 384.343 2.677 20 0 GFADRO CN([C@H](C[NH3+])C(F)(F)F)S(=O)(=O)/C=C\c1ccccc1Br ZINC000853080711 661881631 /nfs/dbraw/zinc/88/16/31/661881631.db2.gz DKWYJGHNJSDVJN-JMEBYUIHSA-N 1 0 387.221 2.571 20 0 GFADRO COCC[N@H+](C)CCCNc1nc(Cl)nc2c(Br)c[nH]c21 ZINC000853159580 661884158 /nfs/dbraw/zinc/88/41/58/661884158.db2.gz DMFJLKPFAWRCJN-UHFFFAOYSA-N 1 0 376.686 2.754 20 0 GFADRO C[C@H](NC(=O)N1CC(O)(c2ccc(Br)cc2)C1)C(C)(C)C[NH+](C)C ZINC000853841660 661903622 /nfs/dbraw/zinc/90/36/22/661903622.db2.gz UGXZYUPAIBOMNU-ZDUSSCGKSA-N 1 0 398.345 2.638 20 0 GFADRO CC(C)[NH+]1CCC(NC(=O)[C@@]2(C)CC2(Br)Br)CC1 ZINC000854288513 661922075 /nfs/dbraw/zinc/92/20/75/661922075.db2.gz HQFRXVFOCBFZLY-GFCCVEGCSA-N 1 0 382.140 2.872 20 0 GFADRO O=C(NCc1cnc(Br)s1)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000854356550 661928820 /nfs/dbraw/zinc/92/88/20/661928820.db2.gz PZYRJWUHGMITOD-CYBMUJFWSA-N 1 0 395.326 2.829 20 0 GFADRO O=C(c1cc(Br)n[nH]1)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000854430943 661932747 /nfs/dbraw/zinc/93/27/47/661932747.db2.gz NPNDGNGUCPZRSK-SFHVURJKSA-N 1 0 389.297 2.910 20 0 GFADRO Cc1nc(SC(F)F)sc1CC(=O)N1CCOC[C@H]1[C@H]1CCC[N@H+]1C ZINC000854643615 661944845 /nfs/dbraw/zinc/94/48/45/661944845.db2.gz UHCUAFFWKYAXGA-NEPJUHHUSA-N 1 0 391.509 2.630 20 0 GFADRO COc1cc(/C=C/C(=O)N2CC[C@H]([NH+](C)C)[C@@H]2C)cc(Br)c1O ZINC000854655508 661945858 /nfs/dbraw/zinc/94/58/58/661945858.db2.gz QFEAMVZJAYYGCY-CCJKYYKNSA-N 1 0 383.286 2.728 20 0 GFADRO C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1cnn(C(C)(C)C)c1Br)C2 ZINC000854735206 661952299 /nfs/dbraw/zinc/95/22/99/661952299.db2.gz LFZBEHSDHSXPJV-KRWDZBQOSA-N 1 0 383.334 2.959 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)[C@H]2Cc3cc(Br)ccc3O2)C1 ZINC000855161820 661974037 /nfs/dbraw/zinc/97/40/37/661974037.db2.gz SFTMUNQQJICDAT-BLLLJJGKSA-N 1 0 381.314 2.989 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)[C@@]2(C)CC2(Br)Br)C1 ZINC000855286735 661983046 /nfs/dbraw/zinc/98/30/46/661983046.db2.gz WPUUTNUCBHXADP-BXKDBHETSA-N 1 0 382.140 2.872 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)COc2ccc(C=O)cc2Br)C1 ZINC000855289657 661983256 /nfs/dbraw/zinc/98/32/56/661983256.db2.gz UBCAQJUQJWAVRR-ZDUSSCGKSA-N 1 0 383.286 2.629 20 0 GFADRO O=C(NCC1CC[NH+](Cc2ccncc2)CC1)c1ccnc(Br)c1 ZINC000855528117 661996682 /nfs/dbraw/zinc/99/66/82/661996682.db2.gz YKYLHZNUEBMLQU-UHFFFAOYSA-N 1 0 389.297 2.881 20 0 GFADRO C[NH+](C)CCC[C@H]1CN(C(=O)[C@@H](O)c2ccc(Cl)c(Cl)c2)CCO1 ZINC000856430943 662033612 /nfs/dbraw/zinc/03/36/12/662033612.db2.gz MRQPBZJJDGXMMW-BBRMVZONSA-N 1 0 375.296 2.596 20 0 GFADRO C[NH+](C)CCC[C@H]1CN(C(=O)[C@H](O)c2ccc(Cl)c(Cl)c2)CCO1 ZINC000856430946 662033644 /nfs/dbraw/zinc/03/36/44/662033644.db2.gz MRQPBZJJDGXMMW-XJKSGUPXSA-N 1 0 375.296 2.596 20 0 GFADRO COC(=O)N1CCC[C@@H]([C@H](C)[NH2+]Cc2cc(OC)ncc2Br)C1 ZINC000856735880 662039836 /nfs/dbraw/zinc/03/98/36/662039836.db2.gz GELZBPUJVFNHBP-NWDGAFQWSA-N 1 0 386.290 2.809 20 0 GFADRO Cn1cc(C[NH2+]C[C@H](CO)Cc2cc(Br)ccc2F)c(Cl)n1 ZINC000856789609 662044106 /nfs/dbraw/zinc/04/41/06/662044106.db2.gz IUOZPRGKLBQYQI-SNVBAGLBSA-N 1 0 390.684 2.916 20 0 GFADRO COc1cc(C[NH2+]CC[C@H]2CC2(Cl)Cl)cc(Cl)c1OCC(N)=O ZINC000856808347 662044818 /nfs/dbraw/zinc/04/48/18/662044818.db2.gz YSWVKAUMSWKKJT-JTQLQIEISA-N 1 0 381.687 2.886 20 0 GFADRO O=C(NCC[C@@H]1CC1(Cl)Cl)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000856896123 662050700 /nfs/dbraw/zinc/05/07/00/662050700.db2.gz RICLADGERPCRDC-OAHLLOKOSA-N 1 0 378.344 2.714 20 0 GFADRO COc1ccc(OC)c([C@H](O)C[NH2+]Cc2cc(C)c(Br)cn2)c1 ZINC000858093364 662098309 /nfs/dbraw/zinc/09/83/09/662098309.db2.gz ZHEJFYRBZRJFNC-MRXNPFEDSA-N 1 0 381.270 2.993 20 0 GFADRO C[C@H](O)c1ncc(C[NH2+][C@]2(CO)CCc3cc(Br)ccc3C2)s1 ZINC000858240925 662105807 /nfs/dbraw/zinc/10/58/07/662105807.db2.gz UXZBIWWHMUSXLM-APPDUMDISA-N 1 0 397.338 2.969 20 0 GFADRO C[C@@H]([NH2+]CCOc1ccc(S(=O)(=O)C(F)(F)F)cc1)[C@@H]1CCCCO1 ZINC000858385074 662110338 /nfs/dbraw/zinc/11/03/38/662110338.db2.gz ZPXUOMSGEKHGSA-DOMZBBRYSA-N 1 0 381.416 2.906 20 0 GFADRO OCc1cc(N2CCN(Cc3ccc(Br)c(F)c3)CC2)cc[nH+]1 ZINC000858449329 662111722 /nfs/dbraw/zinc/11/17/22/662111722.db2.gz YWGMSICGDVOOTE-UHFFFAOYSA-N 1 0 380.261 2.798 20 0 GFADRO COc1cc([C@H](C)[NH2+][C@H]2CO[C@@H](C3CC3)C2)ccc1S(=O)(=O)C(F)F ZINC000858545922 662114632 /nfs/dbraw/zinc/11/46/32/662114632.db2.gz KOPNBLMPYRPTSN-ZLKJLUDKSA-N 1 0 375.437 2.910 20 0 GFADRO COc1cc([C@H](C)[NH2+]CCN(C)CC(F)F)ccc1S(=O)(=O)C(F)F ZINC000858596064 662115685 /nfs/dbraw/zinc/11/56/85/662115685.db2.gz AJNLZUBNBGEMGM-JTQLQIEISA-N 1 0 386.411 2.539 20 0 GFADRO C[C@@H]([NH3+])CN(C)S(=O)(=O)c1ccc(Br)c(Cl)c1Cl ZINC000858640116 662117623 /nfs/dbraw/zinc/11/76/23/662117623.db2.gz ISCYLXJRWBKKFF-ZCFIWIBFSA-N 1 0 376.103 2.724 20 0 GFADRO COC(=O)Nc1ccc(S(=O)(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)cc1Cl ZINC000859052240 662133982 /nfs/dbraw/zinc/13/39/82/662133982.db2.gz BXNHQTNAWATOBQ-NWDGAFQWSA-N 1 0 389.905 2.669 20 0 GFADRO C[C@H](CCNS(=O)(=O)c1ccc(Br)nc1F)[NH+]1CCCCC1 ZINC000859106129 662137895 /nfs/dbraw/zinc/13/78/95/662137895.db2.gz TWLJEJVWXALGRE-LLVKDONJSA-N 1 0 394.310 2.526 20 0 GFADRO C[C@H](CCN1CC[NH+](C)CC1)NC(=O)OCc1ccc(Br)cc1 ZINC000859112665 662138325 /nfs/dbraw/zinc/13/83/25/662138325.db2.gz PSAHEZFZTKSSAC-CQSZACIVSA-N 1 0 384.318 2.701 20 0 GFADRO CC[C@H]1C[N@H+](C)CCCN1S(=O)(=O)c1ccc(NC(=O)OC)c(Cl)c1 ZINC000859145688 662140585 /nfs/dbraw/zinc/14/05/85/662140585.db2.gz NOASWCMRDBFBAE-LBPRGKRZSA-N 1 0 389.905 2.623 20 0 GFADRO COC1CC(C[NH+]2CCC(C(=O)Nc3ccc(Br)cn3)CC2)C1 ZINC000859171809 662142173 /nfs/dbraw/zinc/14/21/73/662142173.db2.gz NKBHXGKTWMOQBK-UHFFFAOYSA-N 1 0 382.302 2.920 20 0 GFADRO COC(=O)C[C@@H]([NH2+][C@H]1CCc2cc(Br)ccc2NC1=O)C1CC1 ZINC000859248907 662147593 /nfs/dbraw/zinc/14/75/93/662147593.db2.gz LVFGLASGKGXFLP-LSDHHAIUSA-N 1 0 381.270 2.634 20 0 GFADRO COC(=O)C[C@@]1([NH2+]Cc2ccc(Br)c(F)c2F)CCCOC1 ZINC000859255491 662148058 /nfs/dbraw/zinc/14/80/58/662148058.db2.gz OADOFFOWMPZUND-HNNXBMFYSA-N 1 0 378.213 2.929 20 0 GFADRO CSc1ccc(/C=C/C(=O)N2CCC(C[NH+]3CCN(C)CC3)CC2)s1 ZINC000859306941 662152089 /nfs/dbraw/zinc/15/20/89/662152089.db2.gz FUFLJUYDXQECFF-HWKANZROSA-N 1 0 379.595 2.969 20 0 GFADRO OC[C@]1([NH2+]Cc2cnc(Cl)cn2)CCc2cc(Br)ccc2C1 ZINC000859575198 662168272 /nfs/dbraw/zinc/16/82/72/662168272.db2.gz ZZIDZIUJUWQGEN-INIZCTEOSA-N 1 0 382.689 2.902 20 0 GFADRO O=C1O[C@@H](C[NH2+][C@]2(CO)CCc3cc(Br)ccc3C2)CC12CCC2 ZINC000859573940 662168276 /nfs/dbraw/zinc/16/82/76/662168276.db2.gz GDHNRZARPQBNTQ-VQIMIIECSA-N 1 0 394.309 2.744 20 0 GFADRO Cc1cc(Br)ncc1NC(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000859659004 662171424 /nfs/dbraw/zinc/17/14/24/662171424.db2.gz ACPDFQFAOHYJJT-AWEZNQCLSA-N 1 0 397.317 2.775 20 0 GFADRO Cn1nc(Cl)c(C(=O)Nc2ccc(N3CC[C@H]([NH+](C)C)C3)cn2)c1Cl ZINC000860299224 662196518 /nfs/dbraw/zinc/19/65/18/662196518.db2.gz FQYUNTUJTCOQHK-NSHDSACASA-N 1 0 383.283 2.515 20 0 GFADRO CSc1ccc(/C=C\C(=O)N2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)s1 ZINC000860496831 662203029 /nfs/dbraw/zinc/20/30/29/662203029.db2.gz YDSHUHWVTSTRLR-KAUISWQESA-N 1 0 379.595 2.968 20 0 GFADRO CSc1ccc(/C=C/C(=O)N2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)s1 ZINC000860496829 662203108 /nfs/dbraw/zinc/20/31/08/662203108.db2.gz YDSHUHWVTSTRLR-DVJJNNKXSA-N 1 0 379.595 2.968 20 0 GFADRO CC(C)(O)C[N@@H+]1CCc2c(cccc2NC(=O)[C@@H]2C[C@@]2(C)Br)C1 ZINC000860760449 662213756 /nfs/dbraw/zinc/21/37/56/662213756.db2.gz LOGPDOJLNWPGGD-KBXCAEBGSA-N 1 0 381.314 2.928 20 0 GFADRO C[C@H]1CN(C(=O)c2ccc(SC(F)(F)F)nc2)CC[N@@H+]1CC(C)(C)O ZINC000861183449 662233076 /nfs/dbraw/zinc/23/30/76/662233076.db2.gz IHEZFFVCOKVMOG-NSHDSACASA-N 1 0 377.432 2.611 20 0 GFADRO C[N@@H+]1C[C@H](C(=O)Nc2nc(Br)ccc2O)[C@@H](c2ccccc2)C1 ZINC000861249872 662235371 /nfs/dbraw/zinc/23/53/71/662235371.db2.gz CDQJIOFCEJSDOB-OLZOCXBDSA-N 1 0 376.254 2.834 20 0 GFADRO CO[C@@H]1C[N@H+](C)[C@@](C)(COC(=O)[C@H](C)Oc2cccc(Br)c2)C1 ZINC000861348541 662241541 /nfs/dbraw/zinc/24/15/41/662241541.db2.gz USOXOWSJCWDOGH-YLQAJVPDSA-N 1 0 386.286 2.869 20 0 GFADRO CO[C@@H]1C[N@H+](C)[C@](C)(COC(=O)[C@@H]2[C@@H]3Cc4c(cccc4Br)[C@@H]32)C1 ZINC000861356079 662242024 /nfs/dbraw/zinc/24/20/24/662242024.db2.gz YAHNOIBQVXILSA-ZDNICESLSA-N 1 0 394.309 2.987 20 0 GFADRO Cc1cccc(NC(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1Cl ZINC000861515930 662248635 /nfs/dbraw/zinc/24/86/35/662248635.db2.gz SLZSGOFNXUCZOA-QWRGUYRKSA-N 1 0 377.794 2.573 20 0 GFADRO C[C@H]([NH3+])CN(C)C(=O)NCCSCCOc1cccc(Br)c1 ZINC000861576272 662250000 /nfs/dbraw/zinc/25/00/00/662250000.db2.gz YNXZPJANIXPONW-LBPRGKRZSA-N 1 0 390.347 2.550 20 0 GFADRO CSc1ccc(/C=C/C(=O)NCC(=O)NCC[NH+]2CCCCCC2)s1 ZINC000861820870 662259840 /nfs/dbraw/zinc/25/98/40/662259840.db2.gz SIMPBKVLPRUVJR-SOFGYWHQSA-N 1 0 381.567 2.592 20 0 GFADRO C[N@@H+]1CCC[C@H]1[C@H]1COCCN1C(=O)c1ccc(SC(F)(F)F)nc1 ZINC000861824227 662259996 /nfs/dbraw/zinc/25/99/96/662259996.db2.gz GFQTXXPOIPBEQP-QWHCGFSZSA-N 1 0 375.416 2.629 20 0 GFADRO CC[C@@H](C(=O)NC[C@@H]1CCC[N@@H+]1CCCO)c1ccc(Br)cc1 ZINC000861856538 662261070 /nfs/dbraw/zinc/26/10/70/662261070.db2.gz JESKQAMMMZLDLI-DLBZAZTESA-N 1 0 383.330 2.906 20 0 GFADRO CCN(C(=O)COc1ccc(C=O)cc1Br)C1CC[NH+](C)CC1 ZINC000861895055 662262783 /nfs/dbraw/zinc/26/27/83/662262783.db2.gz OZQYCCAIJGBGEU-UHFFFAOYSA-N 1 0 383.286 2.583 20 0 GFADRO Cc1c(Br)cccc1CC(=O)N1CCC([NH+]2CCOCC2)CC1 ZINC000862214635 662273877 /nfs/dbraw/zinc/27/38/77/662273877.db2.gz YBIGFPIWOCEYJK-UHFFFAOYSA-N 1 0 381.314 2.623 20 0 GFADRO Cc1c(F)nccc1C[NH2+]CCNS(=O)(=O)c1cccc(Cl)c1Cl ZINC000862364047 662282686 /nfs/dbraw/zinc/28/26/86/662282686.db2.gz ZVCNNBZNIGPSNO-UHFFFAOYSA-N 1 0 392.283 2.904 20 0 GFADRO CC(C)c1nnnn1CC(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000863036499 662308952 /nfs/dbraw/zinc/30/89/52/662308952.db2.gz BWOGTUUVNYVQED-AWEZNQCLSA-N 1 0 385.299 2.522 20 0 GFADRO C[C@](O)(C[NH2+][C@H]1CCN(C2CCC2)C1=O)c1ccc(Br)cc1F ZINC000863591221 662339927 /nfs/dbraw/zinc/33/99/27/662339927.db2.gz VXPGPLICOYMTDD-RDJZCZTQSA-N 1 0 385.277 2.539 20 0 GFADRO C[N@@H+]1CCCC[C@H]1CCC(=O)NN1Cc2ccc(Br)cc2C1=O ZINC000863936362 662350054 /nfs/dbraw/zinc/35/00/54/662350054.db2.gz KXCBASGKOGACNG-AWEZNQCLSA-N 1 0 380.286 2.701 20 0 GFADRO CN1C(=O)N(C[C@H]2CC[N@@H+](C3CC3)C2)C(=O)[C@@H]1c1ccc(Br)s1 ZINC000865298118 662410624 /nfs/dbraw/zinc/41/06/24/662410624.db2.gz BUKRBUAJJCJXQP-HZMBPMFUSA-N 1 0 398.326 2.930 20 0 GFADRO CN(C)[C@]1(C[NH2+]C[C@@H](CC(F)(F)F)NC(=O)OC(C)(C)C)CCSC1 ZINC000865483455 662424528 /nfs/dbraw/zinc/42/45/28/662424528.db2.gz RZIMMKCRHBBODD-DOMZBBRYSA-N 1 0 385.496 2.859 20 0 GFADRO COc1cc(C[C@@H](CO)C[NH2+]Cc2cccnc2Br)cc(OC)c1 ZINC000865481771 662424695 /nfs/dbraw/zinc/42/46/95/662424695.db2.gz VGCLTXIAVVECRM-CQSZACIVSA-N 1 0 395.297 2.802 20 0 GFADRO NS(=O)(=O)c1cc(C[NH2+]CC2([C@H](O)c3ccccc3)CC2)ccc1Cl ZINC000865509405 662426024 /nfs/dbraw/zinc/42/60/24/662426024.db2.gz XSGQCIYOUIWJJN-QGZVFWFLSA-N 1 0 380.897 2.591 20 0 GFADRO COc1cc(C[NH2+]C[C@@H]2COC3(CCOCC3)O2)c(F)cc1Br ZINC000865522013 662426480 /nfs/dbraw/zinc/42/64/80/662426480.db2.gz LBKAMPLFSVBQFQ-GFCCVEGCSA-N 1 0 390.249 2.609 20 0 GFADRO CC(=O)NCC1CCC([NH2+]C[C@@H](CO)Cc2cccc(Br)c2)CC1 ZINC000865543429 662428017 /nfs/dbraw/zinc/42/80/17/662428017.db2.gz LSTSSPZULXZOIY-RMXPPQQLSA-N 1 0 397.357 2.885 20 0 GFADRO COc1ccc([C@H](CO)C[NH2+]Cc2cc(Br)cnc2OC)cc1 ZINC000865600213 662431725 /nfs/dbraw/zinc/43/17/25/662431725.db2.gz HKTOPJWWGDYAQB-AWEZNQCLSA-N 1 0 381.270 2.727 20 0 GFADRO CC[N@@H+]1CCCN(C(=O)c2cc(Br)ncc2Br)CC1 ZINC000865620658 662432320 /nfs/dbraw/zinc/43/23/20/662432320.db2.gz ZPVUYDWNCMKTOP-UHFFFAOYSA-N 1 0 391.107 2.774 20 0 GFADRO COc1ncc(Br)cc1C[NH2+][C@@H]1CCCc2c1ccc(=O)n2C ZINC000865616854 662432371 /nfs/dbraw/zinc/43/23/71/662432371.db2.gz KRDJMMCKUOYCLY-CQSZACIVSA-N 1 0 378.270 2.719 20 0 GFADRO Cn1nnc2cc(C[NH2+][C@](C)(CO)Cc3ccc(Br)cc3)ccc21 ZINC000865715615 662438687 /nfs/dbraw/zinc/43/86/87/662438687.db2.gz VQHHLUKVXBYAFR-SFHVURJKSA-N 1 0 389.297 2.814 20 0 GFADRO CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]C[C@H]1CC2(CO1)CCOCC2 ZINC000865779240 662443137 /nfs/dbraw/zinc/44/31/37/662443137.db2.gz FJPFFPDRIYJQCO-OAHLLOKOSA-N 1 0 387.929 2.809 20 0 GFADRO CC[NH+]1CCN([C@@H](C)CNC(=O)/C=C/c2ccsc2C(F)(F)F)CC1 ZINC000865791486 662443802 /nfs/dbraw/zinc/44/38/02/662443802.db2.gz AWYHCPVQXIOVGI-IHVVCDCBSA-N 1 0 375.460 2.922 20 0 GFADRO CC[NH+]1CCN([C@@H](C)CNC(=O)/C(C)=C/c2ccc(Br)o2)CC1 ZINC000865791787 662443870 /nfs/dbraw/zinc/44/38/70/662443870.db2.gz LKIWEZJMTLBQSA-CMPYXILNSA-N 1 0 384.318 2.588 20 0 GFADRO NC(=O)COc1ccc(C[NH2+][C@@H]2[C@@H]3Cc4ccc(Br)cc4[C@@H]32)cc1 ZINC000865834964 662446578 /nfs/dbraw/zinc/44/65/78/662446578.db2.gz URJBCFWHQVIWDZ-NZSAHSFTSA-N 1 0 387.277 2.741 20 0 GFADRO COC/C=C/C(=O)NC1CC[NH+](CCOc2ccc(Br)cc2)CC1 ZINC000865958951 662453537 /nfs/dbraw/zinc/45/35/37/662453537.db2.gz FGDLNIQMUMUYBV-NSCUHMNNSA-N 1 0 397.313 2.611 20 0 GFADRO CCc1c(Cl)nc(CS(C)(=O)=O)nc1N1CCC(CC)([NH+](C)C)CC1 ZINC000866060053 662459210 /nfs/dbraw/zinc/45/92/10/662459210.db2.gz ZFUURYBAGRHGCN-UHFFFAOYSA-N 1 0 388.965 2.548 20 0 GFADRO C[C@@H]([NH2+]CC1(O)CCS(=O)(=O)CC1)c1cccc(SC(F)(F)F)c1 ZINC000866271065 662466350 /nfs/dbraw/zinc/46/63/50/662466350.db2.gz CANIKLMWAJIJAV-LLVKDONJSA-N 1 0 383.457 2.889 20 0 GFADRO CC(C)[C@@H]([NH2+]CCNC(=O)c1ccc(Br)cn1)c1ccccn1 ZINC000866387651 662469859 /nfs/dbraw/zinc/46/98/59/662469859.db2.gz WJQBZIKVLKFBHC-MRXNPFEDSA-N 1 0 377.286 2.956 20 0 GFADRO Cn1ncc(I)c1CNC1CC[NH+](C2CCCC2)CC1 ZINC000866630510 662485261 /nfs/dbraw/zinc/48/52/61/662485261.db2.gz RBZUJYRFSCCIAS-UHFFFAOYSA-N 1 0 388.297 2.521 20 0 GFADRO Cc1ccc(Br)c(CS(=O)(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000866744637 662493683 /nfs/dbraw/zinc/49/36/83/662493683.db2.gz QEGQCDNZARUMSZ-YIONKMFJSA-N 1 0 387.343 2.802 20 0 GFADRO O=S(=O)(c1cc2nc(Cl)ncc2s1)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000866769248 662496278 /nfs/dbraw/zinc/49/62/78/662496278.db2.gz IZBDFOWFFAQOBU-CMPLNLGQSA-N 1 0 386.930 2.640 20 0 GFADRO [NH3+][C@H]1CCO[C@H](C2CCN(S(=O)(=O)Cc3ccc(F)cc3Cl)CC2)C1 ZINC000866772310 662496567 /nfs/dbraw/zinc/49/65/67/662496567.db2.gz RHIKJCIIKQNTCG-RDJZCZTQSA-N 1 0 390.908 2.527 20 0 GFADRO [NH3+][C@H]1CCCO[C@@H]1C1CCN(S(=O)(=O)Cc2ccc(F)cc2Cl)CC1 ZINC000866772551 662496592 /nfs/dbraw/zinc/49/65/92/662496592.db2.gz WHDHDQHQZMSZLZ-DLBZAZTESA-N 1 0 390.908 2.527 20 0 GFADRO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCN(S(=O)(=O)Cc3ccc(F)cc3Cl)C2)C1 ZINC000866775264 662497167 /nfs/dbraw/zinc/49/71/67/662497167.db2.gz YXHQUWAXQFHJQU-SRCQZFHVSA-N 1 0 390.908 2.527 20 0 GFADRO O=S(=O)(/C=C/c1ccc(Br)cc1)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000866809933 662500650 /nfs/dbraw/zinc/50/06/50/662500650.db2.gz ONWJLBKXMYUSNA-UUAIDOGMSA-N 1 0 385.327 2.870 20 0 GFADRO O=S(=O)(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cccc(OC(F)(F)F)c1F ZINC000866809783 662500655 /nfs/dbraw/zinc/50/06/55/662500655.db2.gz MZQURHZQWVZSAJ-JGPRNRPPSA-N 1 0 382.379 2.533 20 0 GFADRO COC(=O)c1ccc(Cl)c(S(=O)(=O)N2CC[C@](C[NH3+])(C(C)(C)C)C2)c1 ZINC000866814539 662501342 /nfs/dbraw/zinc/50/13/42/662501342.db2.gz CXNFBEKFVGOFTK-QGZVFWFLSA-N 1 0 388.917 2.512 20 0 GFADRO C[N@H+](CC1CC1)C[C@H]1CCN(S(=O)(=O)c2cc(Cl)cnc2Cl)C1 ZINC000866904474 662507688 /nfs/dbraw/zinc/50/76/88/662507688.db2.gz RKYVZBVOJUFRJG-GFCCVEGCSA-N 1 0 378.325 2.741 20 0 GFADRO C[NH+]1CCN(CCCS(=O)(=O)Oc2ccc(SC(F)(F)F)cc2)CC1 ZINC000867266067 662537165 /nfs/dbraw/zinc/53/71/65/662537165.db2.gz QVMVUCXFWOXFOS-UHFFFAOYSA-N 1 0 398.472 2.645 20 0 GFADRO O=S(=O)(c1ccc(Cl)nc1Cl)N1CCCN(c2cc[nH+]cc2)CC1 ZINC000867705360 662568235 /nfs/dbraw/zinc/56/82/35/662568235.db2.gz LHMDWBJNWZSECQ-UHFFFAOYSA-N 1 0 387.292 2.684 20 0 GFADRO Cc1ncc2c(n1)CCC[C@@H]2NC(=O)[C@H]([NH3+])c1cccc(Br)c1 ZINC000867927148 662587712 /nfs/dbraw/zinc/58/77/12/662587712.db2.gz CCCVNGRFPAYXHC-JKSUJKDBSA-N 1 0 375.270 2.741 20 0 GFADRO COCCC1(NC(=O)c2cccc(Br)c2Cl)CC[NH2+]CC1 ZINC000868043034 662592382 /nfs/dbraw/zinc/59/23/82/662592382.db2.gz AWDBBMVGKWESDL-UHFFFAOYSA-N 1 0 375.694 2.991 20 0 GFADRO Cc1cc(I)ccc1NC(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000868091034 662594485 /nfs/dbraw/zinc/59/44/85/662594485.db2.gz UPOQMJMNAGXNGC-UONOGXRCSA-N 1 0 385.249 2.958 20 0 GFADRO [NH3+][C@H]1C[C@H](CNC(=O)Nc2ccc(I)cc2Cl)C1 ZINC000868100870 662594644 /nfs/dbraw/zinc/59/46/44/662594644.db2.gz FPCXJDHLJDYQRP-XWEPSHTISA-N 1 0 379.629 2.803 20 0 GFADRO COCCC1(NC(=O)Nc2cc(Br)cc(OC)c2)CC[NH2+]CC1 ZINC000868140592 662595791 /nfs/dbraw/zinc/59/57/91/662595791.db2.gz QEFSQHZMGDKDNV-UHFFFAOYSA-N 1 0 386.290 2.738 20 0 GFADRO Cn1c(Cl)cnc1-c1csc(NC(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)n1 ZINC000868169032 662597322 /nfs/dbraw/zinc/59/73/22/662597322.db2.gz ROBHJGBZQPHIMB-JGPRNRPPSA-N 1 0 380.905 2.849 20 0 GFADRO CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)C(=O)Nc2ccc(Br)cc2)C1 ZINC000868310528 662601542 /nfs/dbraw/zinc/60/15/42/662601542.db2.gz VATJGPHJIIQJMW-KRWDZBQOSA-N 1 0 382.302 2.611 20 0 GFADRO COC[C@H](NC(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1)c1cccc(Br)c1 ZINC000868355871 662602747 /nfs/dbraw/zinc/60/27/47/662602747.db2.gz SEMUPUZSDCCQEY-GUYCJALGSA-N 1 0 396.329 2.920 20 0 GFADRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NCc1ncc(Br)s1 ZINC000868365565 662603169 /nfs/dbraw/zinc/60/31/69/662603169.db2.gz OGLJCVVXXXLBIE-GHMZBOCLSA-N 1 0 375.336 2.825 20 0 GFADRO C[NH+](C)CCn1nccc1NC(=O)[C@H]1[C@@H]2c3cc(Br)ccc3C[C@H]12 ZINC000868584375 662610449 /nfs/dbraw/zinc/61/04/49/662610449.db2.gz BZJHVVVYNZLJLY-USXIJHARSA-N 1 0 389.297 2.732 20 0 GFADRO C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1cc(Br)cn3ccnc13)C2 ZINC000868634113 662612963 /nfs/dbraw/zinc/61/29/63/662612963.db2.gz QADLUIXWXJRJOF-QGZVFWFLSA-N 1 0 377.286 2.655 20 0 GFADRO C/C(=C/c1ccc(Br)o1)C(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000869299295 662640583 /nfs/dbraw/zinc/64/05/83/662640583.db2.gz PHBLMRPHQMZKRX-GAJOTYCWSA-N 1 0 383.286 2.503 20 0 GFADRO CC(=O)N[C@H](C(=O)OCC[C@@H]1CC[N@@H+](C)C1)c1cccc(Br)c1 ZINC000870458342 662691095 /nfs/dbraw/zinc/69/10/95/662691095.db2.gz SDPWWOATQDATHL-BBRMVZONSA-N 1 0 383.286 2.511 20 0 GFADRO CC[N@H+](CC(=O)Nc1ccc(N2CC[C@@H](CO)C2)c(Br)c1)C1CC1 ZINC000870889863 662706472 /nfs/dbraw/zinc/70/64/72/662706472.db2.gz SJCHGZGFNRUUBJ-CYBMUJFWSA-N 1 0 396.329 2.691 20 0 GFADRO O=C(N[C@@H](C[C@@H]1CCCO1)C(F)(F)F)c1csc(C2CC[NH2+]CC2)n1 ZINC000870950767 662711260 /nfs/dbraw/zinc/71/12/60/662711260.db2.gz LTMLVFORYGLDCA-AAEUAGOBSA-N 1 0 377.432 2.840 20 0 GFADRO [NH3+][C@H]1C[C@@H](CNC(=O)c2cnn(-c3ncccc3Cl)c2C(F)(F)Cl)C1 ZINC000870966893 662711616 /nfs/dbraw/zinc/71/16/16/662711616.db2.gz AIQUCIZZFWRUAC-DTORHVGOSA-N 1 0 390.221 2.676 20 0 GFADRO O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(I)c(F)c1 ZINC000870973754 662711838 /nfs/dbraw/zinc/71/18/38/662711838.db2.gz ANNKONQZTDNZRO-YHPBZONMSA-N 1 0 388.224 2.691 20 0 GFADRO CC[N@@H+]1CCCN(c2nnc(COc3ccccc3Br)n2C)CC1 ZINC000871025335 662713073 /nfs/dbraw/zinc/71/30/73/662713073.db2.gz KRVRICYEQHISRP-UHFFFAOYSA-N 1 0 394.317 2.689 20 0 GFADRO [NH3+]C[C@H]1CN(S(=O)(=O)Cc2cccc(C(F)(F)F)c2)C[C@H]1C(F)(F)F ZINC000871812911 662735095 /nfs/dbraw/zinc/73/50/95/662735095.db2.gz DTOQIUFDHBRRAH-CMPLNLGQSA-N 1 0 390.349 2.604 20 0 GFADRO Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000871814229 662735446 /nfs/dbraw/zinc/73/54/46/662735446.db2.gz RALPCOUDWIRUAG-GXSJLCMTSA-N 1 0 390.349 2.772 20 0 GFADRO CSc1ccc(S(=O)(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)cc1Cl ZINC000871815037 662735618 /nfs/dbraw/zinc/73/56/18/662735618.db2.gz ZDXVXOCVZPHPGL-PSASIEDQSA-N 1 0 388.864 2.820 20 0 GFADRO COc1c(F)cc(Br)cc1S(=O)(=O)N(C)CCCCCC[NH3+] ZINC000871821119 662735863 /nfs/dbraw/zinc/73/58/63/662735863.db2.gz CLNJJVGZFCSXJE-UHFFFAOYSA-N 1 0 397.310 2.736 20 0 GFADRO C[C@@H](Nc1cc2n(n1)CC[N@H+](C)C2)C(=O)Nc1cccc(Br)c1 ZINC000871929179 662743145 /nfs/dbraw/zinc/74/31/45/662743145.db2.gz UKCDNKLXEHLPEX-LLVKDONJSA-N 1 0 378.274 2.530 20 0 GFADRO O=C1OCCN1CCC[NH2+][C@@H](c1cccc(Br)c1)[C@@H]1CCOC1 ZINC000872032398 662754236 /nfs/dbraw/zinc/75/42/36/662754236.db2.gz SGULHFOPWQCDNG-ZBFHGGJFSA-N 1 0 383.286 2.959 20 0 GFADRO COCCN1CC[C@H]([NH2+][C@@H](c2cccc(Br)c2)[C@H]2CCOC2)C1 ZINC000872036680 662754427 /nfs/dbraw/zinc/75/44/27/662754427.db2.gz VEAAQSPMNBFUGJ-SZMVWBNQSA-N 1 0 383.330 2.837 20 0 GFADRO CC[C@@H](CCC(F)(F)F)[NH2+]C1CCN(S(=O)(=O)C2CCOCC2)CC1 ZINC000872046683 662754654 /nfs/dbraw/zinc/75/46/54/662754654.db2.gz YWQXJWHODZIWGV-ZDUSSCGKSA-N 1 0 386.480 2.670 20 0 GFADRO Brc1cccc([C@H]([NH2+]CC2(N3CCOCC3)CC2)[C@H]2CCOC2)c1 ZINC000872065511 662754990 /nfs/dbraw/zinc/75/49/90/662754990.db2.gz CLQQWORKLQFRMU-WMZOPIPTSA-N 1 0 395.341 2.981 20 0 GFADRO Brc1cccc([C@H]([NH2+]C2CN(c3ccncn3)C2)[C@@H]2CCOC2)c1 ZINC000872091237 662755884 /nfs/dbraw/zinc/75/58/84/662755884.db2.gz HHVFUZFXNMEHOP-KDOFPFPSSA-N 1 0 389.297 2.795 20 0 GFADRO C[C@H]([NH2+]CC1C[C@H]2CC[C@@H](C1)S2(=O)=O)c1nc(Br)cs1 ZINC000872118643 662756244 /nfs/dbraw/zinc/75/62/44/662756244.db2.gz DPTRWVLRDBUYKJ-OFLUOSHYSA-N 1 0 379.345 2.912 20 0 GFADRO [NH3+]C[C@@H]1CN(CCC(=O)Nc2ccccc2Br)C[C@@H]1C(F)(F)F ZINC000872148037 662756636 /nfs/dbraw/zinc/75/66/36/662756636.db2.gz HFEFTDFDZCQNOZ-MNOVXSKESA-N 1 0 394.235 2.847 20 0 GFADRO C[C@H](NC(=O)[C@H](C)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1)c1ccc(Cl)cc1 ZINC000872149241 662756814 /nfs/dbraw/zinc/75/68/14/662756814.db2.gz MQSOQWYKKPOLDF-MEDZGJRSSA-N 1 0 377.838 2.975 20 0 GFADRO O=C(NCc1noc(/C=C/[C@H]2CCC[NH2+]C2)n1)c1ccc(Br)cc1 ZINC000872181926 662757591 /nfs/dbraw/zinc/75/75/91/662757591.db2.gz RYUVWVJAUWYUSH-STWLFGJUSA-N 1 0 391.269 2.775 20 0 GFADRO CC(C)(O)C[C@@H](O)C[NH2+][C@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O ZINC000872207347 662757997 /nfs/dbraw/zinc/75/79/97/662757997.db2.gz NOGNCOMFEPEVPX-OCCSQVGLSA-N 1 0 375.296 2.600 20 0 GFADRO CCOC(=O)c1cc(C[NH2+]C[C@H](O)c2ccc(F)c(Br)c2)on1 ZINC000872226848 662758277 /nfs/dbraw/zinc/75/82/77/662758277.db2.gz WSHHTCGHOOAVNJ-AWEZNQCLSA-N 1 0 387.205 2.576 20 0 GFADRO CS(=O)(=O)c1ccc([C@@H](O)C[NH2+]C[C@@H]2CC=CC[C@H]2C(F)(F)F)cc1 ZINC000872232408 662758551 /nfs/dbraw/zinc/75/85/51/662758551.db2.gz YSTWHNVEAZSXFY-IMJJTQAJSA-N 1 0 377.428 2.858 20 0 GFADRO Cc1nccnc1[C@@H](C)[NH2+]C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000872252818 662759275 /nfs/dbraw/zinc/75/92/75/662759275.db2.gz VZMVQCIBCPEZRV-RISCZKNCSA-N 1 0 384.249 2.777 20 0 GFADRO O=C1OC[C@@]2(C[NH2+]C3CC(c4ccc(Br)cc4F)C3)COCCN12 ZINC000872260814 662759342 /nfs/dbraw/zinc/75/93/42/662759342.db2.gz DSNRXIPRRYYPEG-FWXSHLFISA-N 1 0 399.260 2.645 20 0 GFADRO Cc1nccnc1[C@H](C)[NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000872252821 662759358 /nfs/dbraw/zinc/75/93/58/662759358.db2.gz VZMVQCIBCPEZRV-SMDDNHRTSA-N 1 0 384.249 2.777 20 0 GFADRO O=C(C[NH2+][C@]12CCC[C@H]1OCC2)Nc1ccc(I)cc1 ZINC000872314086 662760205 /nfs/dbraw/zinc/76/02/05/662760205.db2.gz WOXORBDTDCSGNP-HIFRSBDPSA-N 1 0 386.233 2.531 20 0 GFADRO C[C@@H](CN1CCN(C)CC1)[NH2+]Cc1c(Br)c2ccccc2n1C ZINC000873047438 662797461 /nfs/dbraw/zinc/79/74/61/662797461.db2.gz ULVKSBCGHVDSJJ-AWEZNQCLSA-N 1 0 379.346 2.666 20 0 GFADRO COCC1(C[NH2+]Cc2cccc(F)c2I)CCOCC1 ZINC000873127674 662800718 /nfs/dbraw/zinc/80/07/18/662800718.db2.gz SRICBDZXOJWWAL-UHFFFAOYSA-N 1 0 393.240 2.963 20 0 GFADRO CO[C@H](C[NH2+]Cc1cccc(F)c1I)[C@H]1CCOC1 ZINC000873133503 662801126 /nfs/dbraw/zinc/80/11/26/662801126.db2.gz DTLPPQBLVSPMCZ-WCQYABFASA-N 1 0 379.213 2.571 20 0 GFADRO COc1cccc(C[NH2+]CC2C[C@H]3CC[C@@H](C2)S3(=O)=O)c1OC(F)F ZINC000873172278 662802760 /nfs/dbraw/zinc/80/27/60/662802760.db2.gz SANROPYFMDDSNO-QXMXGUDHSA-N 1 0 375.437 2.742 20 0 GFADRO Cc1cc(Br)cn2c(CN3C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C3)cnc12 ZINC000873227041 662804114 /nfs/dbraw/zinc/80/41/14/662804114.db2.gz BHSXSBYUGHWEEU-MFKMUULPSA-N 1 0 391.235 2.974 20 0 GFADRO Cc1csc([C@H](NC(=O)N2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)C(F)(F)F)n1 ZINC000873329550 662805657 /nfs/dbraw/zinc/80/56/57/662805657.db2.gz WWDCTOUAAVSGQM-YIZRAAEISA-N 1 0 390.353 2.834 20 0 GFADRO O=C(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)Nc1nc(CC(F)(F)F)cs1 ZINC000873329300 662805658 /nfs/dbraw/zinc/80/56/58/662805658.db2.gz UUOLBMRGRLKNQQ-NSHDSACASA-N 1 0 378.420 2.528 20 0 GFADRO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)C2(Br)CC2)cc1 ZINC000873744884 662813133 /nfs/dbraw/zinc/81/31/33/662813133.db2.gz OVNYLQGIQAXSOG-UHFFFAOYSA-N 1 0 382.302 2.624 20 0 GFADRO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)c1cc(Br)cc2c1OCCO2 ZINC000874825022 662837394 /nfs/dbraw/zinc/83/73/94/662837394.db2.gz NOJQYYTUVDDFFP-KBPBESRZSA-N 1 0 381.270 2.529 20 0 GFADRO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)c1ccc(I)cc1F ZINC000874825385 662837465 /nfs/dbraw/zinc/83/74/65/662837465.db2.gz JBQDYUMCFPQGPU-UONOGXRCSA-N 1 0 388.224 2.739 20 0 GFADRO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)c1ccn(-c2ccc(Br)cc2)n1 ZINC000874827135 662837630 /nfs/dbraw/zinc/83/76/30/662837630.db2.gz BXXJBEUODGUTCA-IAGOWNOFSA-N 1 0 389.297 2.944 20 0 GFADRO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)c1cc(Br)c2c(c1)OCCO2 ZINC000874836129 662837969 /nfs/dbraw/zinc/83/79/69/662837969.db2.gz BQMHOAUYZIXJPL-ZIAGYGMSSA-N 1 0 381.270 2.529 20 0 GFADRO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)c1cn(-c2ccc(Br)cc2)cn1 ZINC000874835206 662837974 /nfs/dbraw/zinc/83/79/74/662837974.db2.gz XKNAYNJSLZMGLR-IAGOWNOFSA-N 1 0 389.297 2.944 20 0 GFADRO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)C[C@@H]1Sc2ccc(Cl)cc2NC1=O ZINC000874847765 662838289 /nfs/dbraw/zinc/83/82/89/662838289.db2.gz QSMQHCBQRCXQCZ-FMKPAKJESA-N 1 0 379.913 2.838 20 0 GFADRO C[C@H](CC[NH+](C)C)NC(=O)N1CC[C@@H](O)[C@H]1c1ccc(Br)cc1 ZINC000875172576 662842904 /nfs/dbraw/zinc/84/29/04/662842904.db2.gz SGKGDXSVBNAEIE-DAXOMENPSA-N 1 0 384.318 2.607 20 0 GFADRO Cc1ccc(NC(=O)[C@H]2CC[N@@H+](C)C[C@H]2c2cnn(C)c2)c(Br)n1 ZINC000875474102 662846522 /nfs/dbraw/zinc/84/65/22/662846522.db2.gz NKFSCYFHRAHQFZ-KBPBESRZSA-N 1 0 392.301 2.560 20 0 GFADRO Cc1ccc(OC(=O)[C@@H]2CC[N@@H+](C)C[C@@H]2c2cnn(C)c2)c(Br)n1 ZINC000875559695 662848143 /nfs/dbraw/zinc/84/81/43/662848143.db2.gz XVWCERGRIWWIDI-ZIAGYGMSSA-N 1 0 393.285 2.527 20 0 GFADRO CN(CC[NH+]1CC2(C1)CCOCC2)C(=O)NCCC[C@@H]1CC1(Cl)Cl ZINC000875701517 662850477 /nfs/dbraw/zinc/85/04/77/662850477.db2.gz IOIGMIXUYMQZRL-CQSZACIVSA-N 1 0 378.344 2.714 20 0 GFADRO C[NH+](C)C[C@@H]1CCN(C(=O)N[C@@H]2[C@@H]3Cc4ccc(Br)cc4[C@@H]32)C1 ZINC000876266984 662858621 /nfs/dbraw/zinc/85/86/21/662858621.db2.gz XWPQNQBNYSQTKW-RGXXSHLXSA-N 1 0 378.314 2.680 20 0 GFADRO O=C(NCc1ccc(C(F)(F)F)s1)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000876343808 662860172 /nfs/dbraw/zinc/86/01/72/662860172.db2.gz GVWXUQGGPMHKBR-QWHCGFSZSA-N 1 0 377.432 2.508 20 0 GFADRO CC(C)c1ccc([C@@H]([NH3+])CNC(=O)Cn2ccc(Br)cc2=O)cc1 ZINC000876524704 662862474 /nfs/dbraw/zinc/86/24/74/662862474.db2.gz WEZVGFOSMIDXNV-INIZCTEOSA-N 1 0 392.297 2.550 20 0 GFADRO Cc1cc(NC(=O)[C@@H](F)[C@@H]2CC[NH2+]C2)n(-c2cccc(Br)c2)n1 ZINC000876600441 662863288 /nfs/dbraw/zinc/86/32/88/662863288.db2.gz RGHSSJRMFJGIKC-ABAIWWIYSA-N 1 0 381.249 2.829 20 0 GFADRO Cc1cnn([C@H]2CCC[NH2+]C2)c1C(=O)Nc1cnc(Br)cc1C ZINC000876666700 662864491 /nfs/dbraw/zinc/86/44/91/662864491.db2.gz MISGYKDRSQIMIW-LBPRGKRZSA-N 1 0 378.274 2.834 20 0 GFADRO CCOC(=O)[C@H](Cc1cc(Cl)cc(Cl)c1)NC(=O)[C@@H](F)[C@@H]1CC[NH2+]C1 ZINC000876703942 662864973 /nfs/dbraw/zinc/86/49/73/662864973.db2.gz PEZSGQPFFYGOQH-UGFHNGPFSA-N 1 0 391.270 2.531 20 0 GFADRO C[N@@H+]1CCC[C@@H](N2CCN(Cc3nc(Cl)ccc3Br)CC2)C1 ZINC000876715483 662865416 /nfs/dbraw/zinc/86/54/16/662865416.db2.gz MVIXYPXGVVMWEX-CYBMUJFWSA-N 1 0 387.753 2.709 20 0 GFADRO [NH3+][C@H]1CC[C@H](C(=O)NC[C@@H]2CCN(c3ccc(Br)cc3)C2)CC1 ZINC000876733437 662865500 /nfs/dbraw/zinc/86/55/00/662865500.db2.gz XXLULGVOUCFLNZ-DZKIICNBSA-N 1 0 380.330 2.909 20 0 GFADRO CC(C)n1ncc(C(=O)Nc2cnn(C3CC[NH2+]CC3)c2)c1Br ZINC000876802043 662866695 /nfs/dbraw/zinc/86/66/95/662866695.db2.gz AMWFZZWDMRNTPM-UHFFFAOYSA-N 1 0 381.278 2.600 20 0 GFADRO CCn1ncc(C(=O)Nc2ncc(C3CC[NH2+]CC3)s2)c1Br ZINC000876913164 662867998 /nfs/dbraw/zinc/86/79/98/662867998.db2.gz BPGPAJPZLDLOQX-UHFFFAOYSA-N 1 0 384.303 2.841 20 0 GFADRO CC(C)n1ncc(C(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)c1Br ZINC000876924435 662868282 /nfs/dbraw/zinc/86/82/82/662868282.db2.gz MMPSAMSRSGLWPO-DZGCQCFKSA-N 1 0 395.276 2.933 20 0 GFADRO Cc1cc([C@@H]([NH3+])CC(=O)NCc2c(C(F)(F)F)cnn2C)cc(Cl)n1 ZINC000876992495 662869346 /nfs/dbraw/zinc/86/93/46/662869346.db2.gz WIVJSMXQNSHLBQ-NSHDSACASA-N 1 0 375.782 2.502 20 0 GFADRO O=S(=O)(c1ccccc1)N1CCC(C[NH2+]C[C@@H]2CC2(Cl)Cl)CC1 ZINC000877022288 662869831 /nfs/dbraw/zinc/86/98/31/662869831.db2.gz SRBKZUUASGMFMC-AWEZNQCLSA-N 1 0 377.337 2.871 20 0 GFADRO O=S(=O)(Cc1ccccc1)N1CCC([NH2+]C[C@H]2CC2(Cl)Cl)CC1 ZINC000877051284 662870207 /nfs/dbraw/zinc/87/02/07/662870207.db2.gz LTQLQWRTOTYBCJ-CQSZACIVSA-N 1 0 377.337 2.764 20 0 GFADRO COC(=O)c1ccc(C[NH2+]CC[S@](=O)C(C)(C)C)cc1Br ZINC000877054401 662870368 /nfs/dbraw/zinc/87/03/68/662870368.db2.gz DMQXAFJPKRPSOQ-NRFANRHFSA-N 1 0 376.316 2.873 20 0 GFADRO C[C@@H]1C[C@H]([NH2+]Cc2cc3nc(Cl)ccc3s2)C(=O)N1c1cnn(C)c1 ZINC000877070356 662870683 /nfs/dbraw/zinc/87/06/83/662870683.db2.gz NQMNBEABAWYCCY-YGRLFVJLSA-N 1 0 375.885 2.967 20 0 GFADRO Cc1cc(COc2ccc(C(=O)N(C)C[C@@H](C)[NH3+])cc2Br)no1 ZINC000877098781 662871010 /nfs/dbraw/zinc/87/10/10/662871010.db2.gz FWTCFKOIISUUQI-SNVBAGLBSA-N 1 0 382.258 2.744 20 0 GFADRO CCO[P@](C)(=O)CC[C@H](C)[NH2+]CCNS(=O)(=O)c1cc(C)sc1C ZINC000877117014 662871293 /nfs/dbraw/zinc/87/12/93/662871293.db2.gz GHCIJYQREVEHIH-YTEVENLXSA-N 1 0 396.515 2.956 20 0 GFADRO C[NH+]1CCC2(CCN(C(=O)[C@@H](N)c3ccccc3Br)CC2)CC1 ZINC000877191670 662872160 /nfs/dbraw/zinc/87/21/60/662872160.db2.gz AUTCJURFKJUSSN-INIZCTEOSA-N 1 0 380.330 2.783 20 0 GFADRO [NH3+]CC12CCC(CC1)N2C(=O)c1cnn(-c2ccc(Br)cc2)c1 ZINC000877190986 662872192 /nfs/dbraw/zinc/87/21/92/662872192.db2.gz XPODIOXVGODGQA-UHFFFAOYSA-N 1 0 375.270 2.731 20 0 GFADRO COc1ccc([C@@H]2CN(C(=O)c3cncc(Br)c3C)C[C@H]2[NH3+])cc1 ZINC000877238236 662872395 /nfs/dbraw/zinc/87/23/95/662872395.db2.gz BZVXZNNRFJWWLA-DOTOQJQBSA-N 1 0 390.281 2.728 20 0 GFADRO O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cnn(-c2ccccc2)c1Br ZINC000877246821 662872527 /nfs/dbraw/zinc/87/25/27/662872527.db2.gz QJOJWVKVINLNED-BTTYYORXSA-N 1 0 389.297 2.895 20 0 GFADRO O=C(c1ncc(Br)cc1Br)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000877277413 662872985 /nfs/dbraw/zinc/87/29/85/662872985.db2.gz MOJCHOQNXKWGPQ-WDEREUQCSA-N 1 0 389.091 2.573 20 0 GFADRO O=C(CCNc1ncc(C(F)(F)F)cc1Cl)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000877283139 662873178 /nfs/dbraw/zinc/87/31/78/662873178.db2.gz OJOUXJGNXNFPJS-OLZOCXBDSA-N 1 0 376.810 2.909 20 0 GFADRO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)N[C@H]1CC[C@H]([NH3+])CC1 ZINC000877293033 662873285 /nfs/dbraw/zinc/87/32/85/662873285.db2.gz XKIPAIIUZCPEPE-HAQNSBGRSA-N 1 0 379.254 2.864 20 0 GFADRO [NH3+]CCc1nc(C(=O)NCC2(c3ccc(Br)cc3)CC2)cs1 ZINC000877306257 662873415 /nfs/dbraw/zinc/87/34/15/662873415.db2.gz LABUAAFDLLPKMZ-UHFFFAOYSA-N 1 0 380.311 2.868 20 0 GFADRO Cc1ccnc(C2CC[NH+](Cc3cnn4cc(Br)cnc34)CC2)n1 ZINC000877330769 662873739 /nfs/dbraw/zinc/87/37/39/662873739.db2.gz HHJOKUFQVXZPRU-UHFFFAOYSA-N 1 0 387.285 2.970 20 0 GFADRO O=C(CCc1ccc(Br)cc1)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000877335620 662873836 /nfs/dbraw/zinc/87/38/36/662873836.db2.gz IJKZLWZXYBUYTM-INIZCTEOSA-N 1 0 381.314 2.657 20 0 GFADRO CC(C)(C)n1cc(Br)c(C(=O)NC[C@@H]2Cc3ccccc3C[NH2+]2)n1 ZINC000877341029 662873985 /nfs/dbraw/zinc/87/39/85/662873985.db2.gz SZSWZAXNMNEBOB-AWEZNQCLSA-N 1 0 391.313 2.845 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)c2cc(Br)cc3nc[nH]c32)C[C@@H]1C(F)(F)F ZINC000877353882 662874099 /nfs/dbraw/zinc/87/40/99/662874099.db2.gz VPFQYTAIZHETRS-XVKPBYJWSA-N 1 0 391.191 2.535 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)c2cc(F)c(Br)cc2F)C[C@@H]1C(F)(F)F ZINC000877354580 662874101 /nfs/dbraw/zinc/87/41/01/662874101.db2.gz HQFYKFYGMHUHKE-XPUUQOCRSA-N 1 0 387.146 2.937 20 0 GFADRO Cc1ccc(CC(=O)N2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1Br ZINC000877356626 662874319 /nfs/dbraw/zinc/87/43/19/662874319.db2.gz HESFKMLPQORHNG-RYUDHWBXSA-N 1 0 379.220 2.896 20 0 GFADRO COC(=O)c1cc(C[NH2+]C(C)(C)[C@@H](O)c2ccc(Br)cc2)on1 ZINC000877359249 662874427 /nfs/dbraw/zinc/87/44/27/662874427.db2.gz GLYZHVIGNLHITR-AWEZNQCLSA-N 1 0 383.242 2.826 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)Cc2cn3cc(Cl)cc(Cl)c3n2)C[C@@H]1C(F)(F)F ZINC000877361385 662874527 /nfs/dbraw/zinc/87/45/27/662874527.db2.gz SCWZFURDZWUGHM-KCJUWKMLSA-N 1 0 395.212 2.779 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)c2sc(N3CCCC3)nc2Cl)C[C@H]1C(F)(F)F ZINC000877363386 662874602 /nfs/dbraw/zinc/87/46/02/662874602.db2.gz DETJFLDVNXMXNT-DTWKUNHWSA-N 1 0 382.839 2.606 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)CCc2cccc(Br)c2)C[C@@H]1C(F)(F)F ZINC000877367581 662874846 /nfs/dbraw/zinc/87/48/46/662874846.db2.gz PBGZRCSUKPTDAQ-YPMHNXCESA-N 1 0 379.220 2.977 20 0 GFADRO Cc1c(C(=O)N[C@@]23CCC[C@@H]2[NH2+]CC3)cnn1-c1cccc(Br)c1 ZINC000877390926 662875304 /nfs/dbraw/zinc/87/53/04/662875304.db2.gz HCFMTBVQAOMFKE-FUHWJXTLSA-N 1 0 389.297 2.958 20 0 GFADRO CN(CCCCCC[NH3+])C(=O)/C=C/c1ccc(I)o1 ZINC000877434706 662875870 /nfs/dbraw/zinc/87/58/70/662875870.db2.gz KJDNANLCOHIFJY-VQHVLOKHSA-N 1 0 376.238 2.875 20 0 GFADRO O=C([C@@H](C[NH2+]C[C@H]1CC1(Cl)Cl)Cc1cccc(F)c1)N1CCOCC1 ZINC000877485558 662877092 /nfs/dbraw/zinc/87/70/92/662877092.db2.gz ZETFXSCSCJOBBA-HUUCEWRRSA-N 1 0 389.298 2.627 20 0 GFADRO C[C@@H](CCNC(=O)OC(C)(C)C)[NH2+]Cc1cnn2cc(Br)cnc12 ZINC000877505477 662877398 /nfs/dbraw/zinc/87/73/98/662877398.db2.gz FIPBOROCXNMCDJ-NSHDSACASA-N 1 0 398.305 2.885 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+]CC[C@H](O)c2ccc(Cl)c(Cl)c2)s1 ZINC000877528802 662878268 /nfs/dbraw/zinc/87/82/68/662878268.db2.gz LAASBQGUKDWVMA-ZDUSSCGKSA-N 1 0 395.333 2.916 20 0 GFADRO Cn1ncc(CCC[NH2+][C@H]2CCN(C)[C@H](c3ccc(Br)cc3)C2)n1 ZINC000877550578 662878627 /nfs/dbraw/zinc/87/86/27/662878627.db2.gz IXOOPBMPXRZSAV-WMZOPIPTSA-N 1 0 392.345 2.935 20 0 GFADRO CCO[P@@](C)(=O)CC[C@@H](C)[NH2+]Cc1cccc(S(=O)(=O)N(C)C)c1 ZINC000877564425 662878933 /nfs/dbraw/zinc/87/89/33/662878933.db2.gz AFHVIWJATYMZQC-QKFKETGDSA-N 1 0 376.459 2.750 20 0 GFADRO CC[C@H](C[NH2+]Cc1cnn2cc(Br)cnc12)NC(=O)OC(C)(C)C ZINC000877561714 662878954 /nfs/dbraw/zinc/87/89/54/662878954.db2.gz KNKASRVZTIWYRG-CYBMUJFWSA-N 1 0 398.305 2.885 20 0 GFADRO COC(=O)c1ccc(C[NH2+][C@H](C)C2(OC)CCOCC2)cc1Br ZINC000877598522 662879602 /nfs/dbraw/zinc/87/96/02/662879602.db2.gz OKLPVYNEBPJPAL-GFCCVEGCSA-N 1 0 386.286 2.909 20 0 GFADRO COC(=O)c1ccc(C[N@H+](CCOCCO)C2CCC2)cc1Br ZINC000877629375 662880310 /nfs/dbraw/zinc/88/03/10/662880310.db2.gz RMOFYUCVJXCDGZ-UHFFFAOYSA-N 1 0 386.286 2.599 20 0 GFADRO COCC[N@@H+](Cc1cnc2ccc(Br)cn12)CC1CC[NH+](C)CC1 ZINC000877665637 662881244 /nfs/dbraw/zinc/88/12/44/662881244.db2.gz ZPYHPWLZCSISJA-UHFFFAOYSA-N 1 0 395.345 2.887 20 0 GFADRO Cc1nn(C)c(CN2Cc3cccnc3N3CCC[C@H]3C2)c1Br ZINC000877762797 662883192 /nfs/dbraw/zinc/88/31/92/662883192.db2.gz RKXXHVRBWXSERU-AWEZNQCLSA-N 1 0 376.302 2.871 20 0 GFADRO O[C@H](C[N@H+]1C[C@H]2CN(c3ccccc3)C[C@H]2C1)c1cc(Br)no1 ZINC000877980046 662887436 /nfs/dbraw/zinc/88/74/36/662887436.db2.gz GRHNTBYBZLUWJQ-VNHYZAJKSA-N 1 0 378.270 2.539 20 0 GFADRO Cn1ncc(Br)c1CC(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000877992565 662887649 /nfs/dbraw/zinc/88/76/49/662887649.db2.gz ZWWOPNDVCVSTIT-UHFFFAOYSA-N 1 0 391.313 2.637 20 0 GFADRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(Cc2ncccc2Br)CC1 ZINC000878020350 662888313 /nfs/dbraw/zinc/88/83/13/662888313.db2.gz JZYNPTWPSKLFFE-HOTGVXAUSA-N 1 0 381.362 2.835 20 0 GFADRO CC(=O)N[C@H](C(=O)N1CCC[C@@H]([NH2+]C(C)C)C1)c1cccc(Br)c1 ZINC000878578196 662899380 /nfs/dbraw/zinc/89/93/80/662899380.db2.gz RVIQJWJIQUDCNC-SJORKVTESA-N 1 0 396.329 2.615 20 0 GFADRO OC[C@H]([NH2+]C[C@@H](O)CC1(CO)CCCC1)c1ccc(Br)c(F)c1 ZINC000878644845 662901524 /nfs/dbraw/zinc/90/15/24/662901524.db2.gz CWSXFUYCFGDDJP-BBRMVZONSA-N 1 0 390.293 2.515 20 0 GFADRO OC[C@H]([NH2+]C[C@@H]1CC2(CO1)CCOCC2)c1ccc(Br)c(F)c1 ZINC000878646226 662901699 /nfs/dbraw/zinc/90/16/99/662901699.db2.gz XKCCTPXJHIADAS-BBRMVZONSA-N 1 0 388.277 2.797 20 0 GFADRO O[C@H](COc1cc(Cl)cc(Cl)c1)C[NH+]1CCC2(CC1)OCCCO2 ZINC000878652665 662901853 /nfs/dbraw/zinc/90/18/53/662901853.db2.gz TWFZZKWBLBMMFP-HNNXBMFYSA-N 1 0 376.280 2.962 20 0 GFADRO CN(CCC[N@H+](C)C[C@H](O)c1cc(Br)no1)C(=O)OC(C)(C)C ZINC000878712411 662903547 /nfs/dbraw/zinc/90/35/47/662903547.db2.gz ZOUFFRVOWKUUHF-NSHDSACASA-N 1 0 392.294 2.659 20 0 GFADRO O[C@H](CN1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1)c1cc(Br)no1 ZINC000878726737 662903860 /nfs/dbraw/zinc/90/38/60/662903860.db2.gz HDFALMFQFBOPMO-ARFHVFGLSA-N 1 0 392.297 2.677 20 0 GFADRO C[NH+](C)CCn1ccc(NC(=O)NCCc2sccc2Br)n1 ZINC000878809309 662906062 /nfs/dbraw/zinc/90/60/62/662906062.db2.gz SKKBCFGLUWLXTR-UHFFFAOYSA-N 1 0 386.319 2.633 20 0 GFADRO CC[N@H+](CCOc1ccccc1OC)C[C@H](O)c1cc(Br)no1 ZINC000878996716 662912637 /nfs/dbraw/zinc/91/26/37/662912637.db2.gz MCQICJOXQYTLBD-LBPRGKRZSA-N 1 0 385.258 2.880 20 0 GFADRO NC(=O)[C@@H](F)C1CC[NH+](CCOc2cc(F)cc(Br)c2)CC1 ZINC000879041078 662914231 /nfs/dbraw/zinc/91/42/31/662914231.db2.gz BAWMZQKUCQOKDZ-AWEZNQCLSA-N 1 0 377.229 2.502 20 0 GFADRO Cc1cc(F)c(Br)cc1NC(=O)N[C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC000879349492 662923862 /nfs/dbraw/zinc/92/38/62/662923862.db2.gz XWVQHKLWMPWKJA-NSHDSACASA-N 1 0 388.281 2.863 20 0 GFADRO CSc1ccc2cc(C[N@@H+]3C[C@@H]4C(=O)N(C)C(=O)[C@@H]4C3)c(Cl)nc2c1 ZINC000879531659 662928510 /nfs/dbraw/zinc/92/85/10/662928510.db2.gz IVXJSSIPYTZLRZ-OKILXGFUSA-N 1 0 375.881 2.657 20 0 GFADRO O=c1cc(C[N@@H+]2CC[C@@H]3CSC[C@@H]3C2)nc2ccc(Br)cn12 ZINC000879561829 662929601 /nfs/dbraw/zinc/92/96/01/662929601.db2.gz VOHOHAVOFPOKQP-NEPJUHHUSA-N 1 0 380.311 2.642 20 0 GFADRO C[N@@H+]1CC[C@H]2CN(CC(=O)Nc3c(F)cc(F)cc3Br)CC[C@H]21 ZINC000879575826 662929697 /nfs/dbraw/zinc/92/96/97/662929697.db2.gz PWGUHCBNMRJVEX-IINYFYTJSA-N 1 0 388.256 2.692 20 0 GFADRO C[N@@H+]1CC[C@H]2CN(Cc3noc(Cc4ccc(Br)cc4)n3)CC[C@H]21 ZINC000879573457 662929738 /nfs/dbraw/zinc/92/97/38/662929738.db2.gz OJTBFNQRRUXWSC-GOEBONIOSA-N 1 0 391.313 2.949 20 0 GFADRO C[C@@H](NC(=O)Nc1cc(Br)nn1C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000879643166 662932913 /nfs/dbraw/zinc/93/29/13/662932913.db2.gz FLQBFQZYOQQPGT-VXGBXAGGSA-N 1 0 384.322 2.957 20 0 GFADRO CC[NH+](CC)[C@@H](CNC(=O)Nc1cc(Br)nn1C)c1ccco1 ZINC000879645687 662933828 /nfs/dbraw/zinc/93/38/28/662933828.db2.gz VBYPNAQBDKLROF-NSHDSACASA-N 1 0 384.278 2.980 20 0 GFADRO CC(C)(C)OC(=O)NC[C@H]1C[N@H+](CCOCC(F)F)C[C@@H]1C(F)(F)F ZINC000880026086 662945752 /nfs/dbraw/zinc/94/57/52/662945752.db2.gz DUMBASARZXUHLH-QWRGUYRKSA-N 1 0 376.366 2.903 20 0 GFADRO CC1CCC([NH+]2CCN(C(=O)Nc3cn(C)nc3Br)CC2)CC1 ZINC000880047554 662947149 /nfs/dbraw/zinc/94/71/49/662947149.db2.gz UBDIHYQPEXUOQF-UHFFFAOYSA-N 1 0 384.322 2.911 20 0 GFADRO C[C@@H](NC(=O)Nc1cn(C)nc1Br)[C@@H](c1ccccc1)[NH+](C)C ZINC000880056681 662948321 /nfs/dbraw/zinc/94/83/21/662948321.db2.gz QNXUXIRHBAPIIR-RISCZKNCSA-N 1 0 380.290 2.996 20 0 GFADRO C[C@@H]1[C@@H](NC(=O)Nc2cn(C)nc2Br)CC[N@@H+]1Cc1ccccc1 ZINC000880061291 662949242 /nfs/dbraw/zinc/94/92/42/662949242.db2.gz ZMXPPVBKNHNQLF-OCCSQVGLSA-N 1 0 392.301 2.967 20 0 GFADRO O=C(N[C@H]1CCC[N@@H+](CCCO)C1)c1cc(Br)ccc1C1CC1 ZINC000880169185 662953308 /nfs/dbraw/zinc/95/33/08/662953308.db2.gz NDJIYYCYZXGAOS-HNNXBMFYSA-N 1 0 381.314 2.903 20 0 GFADRO C[NH+](C)Cc1ccnc(NC(=O)NC[C@@H](O)c2cccc(Br)c2)c1 ZINC000880600817 662963895 /nfs/dbraw/zinc/96/38/95/662963895.db2.gz FWFZNTXFYFNPCQ-OAHLLOKOSA-N 1 0 393.285 2.761 20 0 GFADRO COc1cc(Br)ccc1NC(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000880627595 662964679 /nfs/dbraw/zinc/96/46/79/662964679.db2.gz JBKLNQYFJWLQPU-AWEZNQCLSA-N 1 0 398.301 2.833 20 0 GFADRO CCc1ccc(Br)c(NC(=O)N[C@@H](C)CN2CC[NH+](C)CC2)c1 ZINC000880958980 662980023 /nfs/dbraw/zinc/98/00/23/662980023.db2.gz OGUPSFAAVDBZAI-ZDUSSCGKSA-N 1 0 383.334 2.769 20 0 GFADRO CCN(CCC[NH+](C)C)C(=O)Nc1cc(Br)cc2c1NC(=O)CO2 ZINC000881271078 662987278 /nfs/dbraw/zinc/98/72/78/662987278.db2.gz KQDDDALRTQNXRN-UHFFFAOYSA-N 1 0 399.289 2.586 20 0 GFADRO O=C(COc1ccc(Br)cc1)N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000881468269 662995231 /nfs/dbraw/zinc/99/52/31/662995231.db2.gz AKFZFBQMWBNOAM-INIZCTEOSA-N 1 0 397.313 2.588 20 0 GFADRO O=S(=O)(NC[C@@H]1CC[N@@H+](C2CC2)C1)c1cnc(Cl)cc1C(F)(F)F ZINC000881784925 663002993 /nfs/dbraw/zinc/00/29/93/663002993.db2.gz RFADZQFBXVOENF-VIFPVBQESA-N 1 0 383.823 2.516 20 0 GFADRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)S(=O)(=O)c1cnc(Cl)cc1C(F)(F)F ZINC000881933243 663010354 /nfs/dbraw/zinc/01/03/54/663010354.db2.gz PUIUHSRSZMCEDX-GXSJLCMTSA-N 1 0 385.839 2.715 20 0 GFADRO C[NH+]1CCC2(CCN(S(=O)(=O)c3ccc4ccnc(Cl)c4c3)C2)CC1 ZINC000882346031 663025098 /nfs/dbraw/zinc/02/50/98/663025098.db2.gz PSYOCEHJGMISDK-UHFFFAOYSA-N 1 0 379.913 2.995 20 0 GFADRO C[N@H+](CCCCNc1cnn(CC(F)(F)F)c(=O)c1Br)C1CC1 ZINC000882435922 663027724 /nfs/dbraw/zinc/02/77/24/663027724.db2.gz OCAFYKSNIBUEON-UHFFFAOYSA-N 1 0 397.239 2.854 20 0 GFADRO CC1([NH+]2CCC2)CCN(C(=O)c2cc3c(cc2Br)OCO3)CC1 ZINC000882509699 663029550 /nfs/dbraw/zinc/02/95/50/663029550.db2.gz FFFLYDJOYNFACT-UHFFFAOYSA-N 1 0 381.270 2.878 20 0 GFADRO O=S(=O)(CC[NH2+][C@@H](c1ccc(F)cc1)C1CCOCC1)CC(F)(F)F ZINC000883234489 663051805 /nfs/dbraw/zinc/05/18/05/663051805.db2.gz GWZNGWGGPWSGPT-HNNXBMFYSA-N 1 0 383.407 2.860 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+]CCc2sccc2Br)s1 ZINC000883282966 663052236 /nfs/dbraw/zinc/05/22/36/663052236.db2.gz MLWORGVWYPMTQW-UHFFFAOYSA-N 1 0 381.342 2.552 20 0 GFADRO CC(C)(C)NS(=O)(=O)C1(C[NH2+]Cc2cnc(-c3ccncc3)s2)CC1 ZINC000883290662 663052560 /nfs/dbraw/zinc/05/25/60/663052560.db2.gz BIUFZQMQHHCKAZ-UHFFFAOYSA-N 1 0 380.539 2.545 20 0 GFADRO CC[C@@H](Cc1ccc(Cl)cc1Cl)[NH2+]Cc1nnc2c(=O)n(C)ccn12 ZINC000883332918 663053537 /nfs/dbraw/zinc/05/35/37/663053537.db2.gz GYHIRGQJZJEGDN-ZDUSSCGKSA-N 1 0 380.279 2.846 20 0 GFADRO C[C@@H](CC(=O)Nc1cccnc1Cl)[NH2+]C[C@H](O)C(F)(F)C(F)(F)F ZINC000883358737 663053814 /nfs/dbraw/zinc/05/38/14/663053814.db2.gz PWJZFUSDOGJFJV-CBAPKCEASA-N 1 0 375.725 2.600 20 0 GFADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)N(C)Cc1cscc1Br ZINC000883375376 663054265 /nfs/dbraw/zinc/05/42/65/663054265.db2.gz LKWQJANXLTYTSG-CYBMUJFWSA-N 1 0 390.347 2.763 20 0 GFADRO O=C1Nc2ccc(Br)cc2CC[C@H]1[NH2+]C1CCC2(CC1)OCCO2 ZINC000883377633 663054385 /nfs/dbraw/zinc/05/43/85/663054385.db2.gz MPWVUIHUTNEUGZ-MRXNPFEDSA-N 1 0 395.297 2.978 20 0 GFADRO COc1cncc(C[NH2+][C@H]2CCc3cc(Br)ccc3NC2=O)c1 ZINC000883386643 663054535 /nfs/dbraw/zinc/05/45/35/663054535.db2.gz KIEVXMZIDAZADI-INIZCTEOSA-N 1 0 376.254 2.896 20 0 GFADRO COC(=O)c1cccc(NC(=O)N2CC[NH2+]CCC23CCC3)c1Br ZINC000883559910 663057059 /nfs/dbraw/zinc/05/70/59/663057059.db2.gz PKYJHGWZKJVCKC-UHFFFAOYSA-N 1 0 396.285 2.986 20 0 GFADRO [NH3+]Cc1nc2c(s1)CCN(N1CCO[C@H](c3c(F)cccc3Cl)C1)C2 ZINC000883574707 663057355 /nfs/dbraw/zinc/05/73/55/663057355.db2.gz MWNJEGNJVAJQJP-AWEZNQCLSA-N 1 0 382.892 2.741 20 0 GFADRO CCOc1cc(Br)ccc1NC(=O)C(=O)N1CCC([NH3+])(CC)CC1 ZINC000883628017 663058365 /nfs/dbraw/zinc/05/83/65/663058365.db2.gz XGSCGBWAVCFXDR-UHFFFAOYSA-N 1 0 398.301 2.516 20 0 GFADRO [NH3+][C@H]1CCN(C(=O)CCc2cc(Br)c(Br)s2)C1 ZINC000884020055 663063940 /nfs/dbraw/zinc/06/39/40/663063940.db2.gz LYHUCTYWNZXKHU-ZETCQYMHSA-N 1 0 382.121 2.765 20 0 GFADRO CN(Cc1ccccc1Br)C(=O)c1ccnc(N2CC[NH2+]CC2)c1 ZINC000884051674 663064198 /nfs/dbraw/zinc/06/41/98/663064198.db2.gz OMWBRXVEPSMJHY-UHFFFAOYSA-N 1 0 389.297 2.526 20 0 GFADRO Cn1ncc(Br)c1CC(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000884274292 663067883 /nfs/dbraw/zinc/06/78/83/663067883.db2.gz KFBBYNORHBGMFD-UHFFFAOYSA-N 1 0 391.191 2.841 20 0 GFADRO [NH3+][C@@H](C(=O)N1CC[C@@H](OCc2ccccn2)C1)c1ccc(Br)cc1 ZINC000884328739 663069116 /nfs/dbraw/zinc/06/91/16/663069116.db2.gz WMMBMBLDCDBDLA-IAGOWNOFSA-N 1 0 390.281 2.662 20 0 GFADRO CC1(C)[C@H]([NH3+])C[C@@H]1NC(=O)CCC[S@](=O)c1ccc(Br)cc1 ZINC000884355963 663069612 /nfs/dbraw/zinc/06/96/12/663069612.db2.gz VEUVVWYEITZDCX-QLEMLULZSA-N 1 0 387.343 2.579 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CNC(=S)N1CCN(Cc2ccc(Cl)s2)CC1 ZINC000884387442 663069931 /nfs/dbraw/zinc/06/99/31/663069931.db2.gz TUNQOQQDJISCHO-AWEZNQCLSA-N 1 0 387.018 2.878 20 0 GFADRO [NH3+][C@H](C(=O)N1C[C@]23COC[C@@]2(C1)CCCC3)c1ccc(Br)cc1 ZINC000884420355 663070525 /nfs/dbraw/zinc/07/05/25/663070525.db2.gz QOMCHYLEPXPUHX-RYQLBKOJSA-N 1 0 379.298 2.868 20 0 GFADRO C[N@@H+]1CC[C@@H](CC(=O)N2CCC[C@](O)(c3ccc(Br)cc3)C2)C1 ZINC000884968333 663080589 /nfs/dbraw/zinc/08/05/89/663080589.db2.gz AIRMNIQPEGHTCH-KBXCAEBGSA-N 1 0 381.314 2.601 20 0 GFADRO C[C@@H]1CN(c2cc[nH+]cc2)CCN1S(=O)(=O)CC[C@@H]1CC1(Cl)Cl ZINC000885848095 663099102 /nfs/dbraw/zinc/09/91/02/663099102.db2.gz PBKFGRKDXAMMDH-CHWSQXEVSA-N 1 0 378.325 2.506 20 0 GFADRO O=C(NC[C@H]1CC[N@@H+]1C1CCOCC1)c1c(F)cc(Br)cc1F ZINC000885873802 663099674 /nfs/dbraw/zinc/09/96/74/663099674.db2.gz ZKIPPFFHUMSATO-GFCCVEGCSA-N 1 0 389.240 2.710 20 0 GFADRO O=C(NC[C@H]1CC[N@@H+]1C1CCOCC1)c1cc(F)c(F)cc1Br ZINC000885875707 663100006 /nfs/dbraw/zinc/10/00/06/663100006.db2.gz KKTMNKFSRYBHGU-LLVKDONJSA-N 1 0 389.240 2.710 20 0 GFADRO C/C(=C/c1ccc(Br)o1)C(=O)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000885892707 663100726 /nfs/dbraw/zinc/10/07/26/663100726.db2.gz BFNFYOWWEMBVAH-GAJOTYCWSA-N 1 0 383.286 2.815 20 0 GFADRO C[C@@](O)(C[N@@H+]1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1)C(F)F ZINC000886051997 663102838 /nfs/dbraw/zinc/10/28/38/663102838.db2.gz IVZBILKAMSFCKP-MEBBXXQBSA-N 1 0 392.244 2.511 20 0 GFADRO OC[C@H](C[C@@H]1CCCO1)[NH2+]Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000886228625 663105343 /nfs/dbraw/zinc/10/53/43/663105343.db2.gz CDGJLRSUAQLNLS-RDJZCZTQSA-N 1 0 380.286 2.654 20 0 GFADRO CN(C)C(=O)c1ccc(OC2CC[NH+](CCSC(F)(F)F)CC2)nc1 ZINC000886278669 663106652 /nfs/dbraw/zinc/10/66/52/663106652.db2.gz FYXSPCPMNIJQRM-UHFFFAOYSA-N 1 0 377.432 2.880 20 0 GFADRO COC[C@H]([NH2+]Cc1ccc(I)s1)[C@H]1CCCOC1 ZINC000886357690 663108954 /nfs/dbraw/zinc/10/89/54/663108954.db2.gz KKZKABXOCDPJOA-JQWIXIFHSA-N 1 0 381.279 2.884 20 0 GFADRO COC[C@@H]([NH2+]Cc1ccc(I)s1)[C@H]1CCCOC1 ZINC000886357689 663108956 /nfs/dbraw/zinc/10/89/56/663108956.db2.gz KKZKABXOCDPJOA-CMPLNLGQSA-N 1 0 381.279 2.884 20 0 GFADRO C[NH+](C)CCn1ccc(C(=O)N2CCc3cc(F)c(Br)cc3C2)n1 ZINC000886288244 663107449 /nfs/dbraw/zinc/10/74/49/663107449.db2.gz SBJYTSLTBCTUMN-UHFFFAOYSA-N 1 0 395.276 2.545 20 0 GFADRO C[C@H]([NH2+][C@@H](CO)C[C@@H]1CCCO1)c1ccccc1I ZINC000886666713 663115471 /nfs/dbraw/zinc/11/54/71/663115471.db2.gz YPRUITOJFJBOCM-XQQFMLRXSA-N 1 0 375.250 2.872 20 0 GFADRO CN(Cc1cc(Br)cs1)C(=O)C[N@@H+]1CC[C@H]([C@H]2CCCO2)C1 ZINC000886830568 663120826 /nfs/dbraw/zinc/12/08/26/663120826.db2.gz UBCVQWBFJYCRAW-SWLSCSKDSA-N 1 0 387.343 2.970 20 0 GFADRO COC[C@H]([NH2+]CC(=O)N(C)Cc1ccc(Cl)c(Cl)c1)[C@H]1CCCOC1 ZINC000886903627 663124326 /nfs/dbraw/zinc/12/43/26/663124326.db2.gz CVKDFRMNPLANCW-YOEHRIQHSA-N 1 0 389.323 2.983 20 0 GFADRO COC[C@H]([NH2+]CC(=O)Nc1ccc(Br)c(C)c1)[C@H]1CCCOC1 ZINC000886907874 663124452 /nfs/dbraw/zinc/12/44/52/663124452.db2.gz KTCGQHWQNHSHAF-BBRMVZONSA-N 1 0 385.302 2.727 20 0 GFADRO COC[C@@H]([NH2+]Cc1ccc(OC)c(OC)c1Br)[C@@H]1CCCOC1 ZINC000886908620 663124536 /nfs/dbraw/zinc/12/45/36/663124536.db2.gz WCNMGTHUYQLGIG-ZIAGYGMSSA-N 1 0 388.302 2.998 20 0 GFADRO C[N@@H+]1C[C@@H]2CN(C(=O)c3cc4sc(N5CCCC5)nc4s3)C[C@]2(C)C1 ZINC000887926568 663170228 /nfs/dbraw/zinc/17/02/28/663170228.db2.gz ONZOGZNAEMFHAI-XIKOKIGWSA-N 1 0 376.551 2.982 20 0 GFADRO O=C(NCC1CC[NH+](Cc2cccs2)CC1)N[C@H](CCO)C(F)(F)F ZINC000888008753 663174888 /nfs/dbraw/zinc/17/48/88/663174888.db2.gz IXJVMUNARUBXNH-CQSZACIVSA-N 1 0 379.448 2.573 20 0 GFADRO COCCN(CC[NH+](C)C)C(=O)Nc1cccc(-c2nnsc2Cl)c1 ZINC000888865764 663220948 /nfs/dbraw/zinc/22/09/48/663220948.db2.gz DJPNMTDSQFSTOD-UHFFFAOYSA-N 1 0 383.905 2.900 20 0 GFADRO C[NH+](C)[C@@H]1Cc2ccccc2N(C(=O)c2nn3c(c2Br)CCC3)C1 ZINC000888874656 663222414 /nfs/dbraw/zinc/22/24/14/663222414.db2.gz SZUPQMJXELTLRO-CYBMUJFWSA-N 1 0 389.297 2.725 20 0 GFADRO CC(C)Oc1cc(Br)ccc1C(=O)N1CCN(C)CC[N@H+](C)CC1 ZINC000888993668 663228951 /nfs/dbraw/zinc/22/89/51/663228951.db2.gz BHUSZMVQKMXTFE-UHFFFAOYSA-N 1 0 398.345 2.556 20 0 GFADRO C[C@@H](CCNC(=O)c1cn(C)nc1Br)[N@H+](C)Cc1ccccc1 ZINC000889322885 663241092 /nfs/dbraw/zinc/24/10/92/663241092.db2.gz HHZGUJBASPKFDR-ZDUSSCGKSA-N 1 0 379.302 2.823 20 0 GFADRO Cc1cc(Br)cc(C(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)c1C ZINC000889747829 663262331 /nfs/dbraw/zinc/26/23/31/663262331.db2.gz BQRQGGVGHFUFSX-DLBZAZTESA-N 1 0 381.314 2.737 20 0 GFADRO O=C([C@@H]1CCc2cc(Br)ccc21)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000889751149 663263383 /nfs/dbraw/zinc/26/33/83/663263383.db2.gz RUQWWRQMGDPEOW-KURKYZTESA-N 1 0 393.325 2.537 20 0 GFADRO Cc1c(Br)ccc(C(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)c1F ZINC000889755418 663263688 /nfs/dbraw/zinc/26/36/88/663263688.db2.gz IBOPIZJKSANHTM-HUUCEWRRSA-N 1 0 385.277 2.568 20 0 GFADRO O=C(c1ccc(Br)cc1Cl)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000889773843 663265493 /nfs/dbraw/zinc/26/54/93/663265493.db2.gz LBGAIWBOISRELY-HUUCEWRRSA-N 1 0 387.705 2.774 20 0 GFADRO O=C(c1cc(Br)ccc1Cl)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000889780627 663266539 /nfs/dbraw/zinc/26/65/39/663266539.db2.gz KVGIGRRJOIWOCG-CABCVRRESA-N 1 0 387.705 2.774 20 0 GFADRO O=C(c1cc(Br)cn2ccnc12)N1CCC([NH2+]C2CCC2)CC1 ZINC000889820652 663270293 /nfs/dbraw/zinc/27/02/93/663270293.db2.gz LPNFJBYPGCLRHZ-UHFFFAOYSA-N 1 0 377.286 2.844 20 0 GFADRO O=C(COCCc1ccc(Br)cc1)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000890050097 663282420 /nfs/dbraw/zinc/28/24/20/663282420.db2.gz QTZLCUXZXHBPLF-DLBZAZTESA-N 1 0 381.314 2.751 20 0 GFADRO COC(=O)C1CC2(C1)C[C@H](NC(=O)c1sccc1C[NH+](C)C)CCS2 ZINC000890601190 663306363 /nfs/dbraw/zinc/30/63/63/663306363.db2.gz CJTFJNACJIFVAZ-TXKKKEFDSA-N 1 0 382.551 2.757 20 0 GFADRO CC[NH+]1CCC(NC(=O)c2cc(Br)cn2C)(C(F)(F)F)CC1 ZINC000891206511 663329582 /nfs/dbraw/zinc/32/95/82/663329582.db2.gz UYODWPYIPYISPJ-UHFFFAOYSA-N 1 0 382.224 2.934 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)NCc2csc(Br)c2)C[C@@H]1C(F)(F)F ZINC000891372640 663337671 /nfs/dbraw/zinc/33/76/71/663337671.db2.gz YDHVERQOJBYVFV-BDAKNGLRSA-N 1 0 386.237 2.789 20 0 GFADRO COc1ccc(Br)c(CNC(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000891390865 663338100 /nfs/dbraw/zinc/33/81/00/663338100.db2.gz MQYJAIJBAMOUJK-UBSAEIQESA-N 1 0 382.302 2.788 20 0 GFADRO [NH3+]Cc1nc2c(s1)CCN(C(=O)NCc1sccc1Br)C2 ZINC000891459245 663339985 /nfs/dbraw/zinc/33/99/85/663339985.db2.gz BXXXYCLNLFEWNW-UHFFFAOYSA-N 1 0 387.328 2.694 20 0 GFADRO Brc1cnc(N2CC[NH+](C[C@@H]3CCCO3)CC2)c2ncccc12 ZINC000891508923 663341835 /nfs/dbraw/zinc/34/18/35/663341835.db2.gz IONXZOYYRWOTCD-ZDUSSCGKSA-N 1 0 377.286 2.693 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)NCc2ccc(Br)cc2)C[C@H]1C(F)(F)F ZINC000891527807 663342367 /nfs/dbraw/zinc/34/23/67/663342367.db2.gz LQKOQHZRRUXDHP-CMPLNLGQSA-N 1 0 380.208 2.728 20 0 GFADRO C[C@H](NC(=O)NC[C@H]1Cc2ccccc2C[NH2+]1)c1ccc(Br)cn1 ZINC000891867494 663353383 /nfs/dbraw/zinc/35/33/83/663353383.db2.gz PZZWJJMXXNPJNM-BLLLJJGKSA-N 1 0 389.297 2.919 20 0 GFADRO [NH3+]CC12CCC(CC1)N2C(=O)N[C@@H]1CCOc2c(Br)cccc21 ZINC000891881614 663354011 /nfs/dbraw/zinc/35/40/11/663354011.db2.gz FGPQZZQNACOEFG-CHHLVHLRSA-N 1 0 380.286 2.938 20 0 GFADRO [NH3+]Cc1nc2c(s1)CCN(C(=O)NCCOc1ccc(Cl)c(F)c1)C2 ZINC000891935438 663355743 /nfs/dbraw/zinc/35/57/43/663355743.db2.gz HILMFNSIYOJDGG-UHFFFAOYSA-N 1 0 384.864 2.541 20 0 GFADRO CC(=O)Nc1cc(Br)ccc1CN1CCC([N@H+](C)CCCO)CC1 ZINC000892045348 663360431 /nfs/dbraw/zinc/36/04/31/663360431.db2.gz VPYPHXMYQRIEAO-UHFFFAOYSA-N 1 0 398.345 2.686 20 0 GFADRO C[C@H](C[NH3+])CNC(=O)N1CC2(CCOCC2)c2ccc(Br)cc21 ZINC000892045765 663360495 /nfs/dbraw/zinc/36/04/95/663360495.db2.gz VQHJSAWTDQDXQQ-GFCCVEGCSA-N 1 0 382.302 2.622 20 0 GFADRO CCOC(=O)c1ncc(Br)c(N2CCC[N@@H+](C(C)(C)C)CC2)n1 ZINC000892123529 663362598 /nfs/dbraw/zinc/36/25/98/663362598.db2.gz VTLJFXRCNMCOAR-UHFFFAOYSA-N 1 0 385.306 2.726 20 0 GFADRO CC(=O)Nc1cc(Br)ccc1C[N@H+](C)C[C@@H]1CCN(C(C)=O)C1 ZINC000892243196 663366996 /nfs/dbraw/zinc/36/69/96/663366996.db2.gz XBPYINNLKIMPBL-AWEZNQCLSA-N 1 0 382.302 2.708 20 0 GFADRO [NH3+]C1(CNC(=O)NCc2cc3cc(Br)ccc3o2)CCOCC1 ZINC000892279141 663368090 /nfs/dbraw/zinc/36/80/90/663368090.db2.gz OTDZZAAPFILXIQ-UHFFFAOYSA-N 1 0 382.258 2.502 20 0 GFADRO Cn1ncc(Br)c1CC(=O)N[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000892415649 663372773 /nfs/dbraw/zinc/37/27/73/663372773.db2.gz GEKDJNYAUCCMSY-GOSISDBHSA-N 1 0 391.313 2.506 20 0 GFADRO CC(=O)Nc1cc(Br)ccc1C[NH2+]C[C@@H](O)COc1ccccc1 ZINC000892521644 663376503 /nfs/dbraw/zinc/37/65/03/663376503.db2.gz AJQAIGADQPTXNG-MRXNPFEDSA-N 1 0 393.281 2.937 20 0 GFADRO [NH3+][C@H]1C[C@H](CNC(=O)N2CCC(Nc3cccc(Br)c3)CC2)C1 ZINC000892569532 663377548 /nfs/dbraw/zinc/37/75/48/663377548.db2.gz GRVIVOWWNXDNNZ-MQMHXKEQSA-N 1 0 381.318 2.772 20 0 GFADRO Cc1ccc(I)c(C(=O)N[C@@]2(C)C[NH+]3CCC2CC3)c1 ZINC000892784360 663384684 /nfs/dbraw/zinc/38/46/84/663384684.db2.gz IBVZVOVZWSEECP-INIZCTEOSA-N 1 0 384.261 2.814 20 0 GFADRO CC(C)([NH3+])CCNC(=O)N1CCO[C@@H](c2ccc(F)c(Br)c2)C1 ZINC000892855810 663386955 /nfs/dbraw/zinc/38/69/55/663386955.db2.gz VTMRUNGBYDJANB-CQSZACIVSA-N 1 0 388.281 2.799 20 0 GFADRO C[C@H]([NH2+]Cc1ncc(Br)cc1O)c1ccc2c(c1)CC(=O)N2C ZINC000892871045 663387723 /nfs/dbraw/zinc/38/77/23/663387723.db2.gz JLKRHBZZQBTPFR-JTQLQIEISA-N 1 0 376.254 2.919 20 0 GFADRO CC(C)NS(=O)(=O)Cc1ccccc1C[NH2+]C[C@@H]1C[C@]1(C)Br ZINC000892923585 663389824 /nfs/dbraw/zinc/38/98/24/663389824.db2.gz ZTXOOAVKJNXNJD-HOTGVXAUSA-N 1 0 389.359 2.778 20 0 GFADRO Cc1c(Br)cc(C(=O)N2[C@@H](CC[NH+](C)C)CCC[C@@H]2C)c(=O)n1C ZINC000893015654 663393193 /nfs/dbraw/zinc/39/31/93/663393193.db2.gz SQXWYLDHTSFXHK-GXTWGEPZSA-N 1 0 398.345 2.791 20 0 GFADRO O=C1[C@H]([NH2+]Cc2cnc(CC(F)(F)F)s2)CCCN1CC(F)(F)F ZINC000893206798 663401590 /nfs/dbraw/zinc/40/15/90/663401590.db2.gz GSBFBOWYPUEWNN-SECBINFHSA-N 1 0 375.338 2.891 20 0 GFADRO CO[C@H](c1ccc(Br)cc1)[C@H](C)[NH2+]C1CC(S(C)(=O)=O)C1 ZINC000893297478 663405868 /nfs/dbraw/zinc/40/58/68/663405868.db2.gz MTNXMWBJJSGPOG-ZALCBRDASA-N 1 0 376.316 2.690 20 0 GFADRO CO[C@H](c1ccc(Br)cc1)[C@@H](C)[NH2+]C1CC(S(C)(=O)=O)C1 ZINC000893297475 663405875 /nfs/dbraw/zinc/40/58/75/663405875.db2.gz MTNXMWBJJSGPOG-IDCHBDIASA-N 1 0 376.316 2.690 20 0 GFADRO CS(=O)(=O)c1cccc([C@@H]([NH2+]C2CCS(=O)CC2)c2ccccc2)c1 ZINC000893357590 663408239 /nfs/dbraw/zinc/40/82/39/663408239.db2.gz RVGDLOSOUPOJRX-MZXKRHHESA-N 1 0 377.531 2.680 20 0 GFADRO C[C@@]1(Br)C[C@H]1C[NH2+]Cc1ccc(N2CCCS2(=O)=O)c(F)c1 ZINC000893679806 663419902 /nfs/dbraw/zinc/41/99/02/663419902.db2.gz BHVMUPWUANUGFQ-SWLSCSKDSA-N 1 0 391.306 2.629 20 0 GFADRO Cn1cc(C[NH2+]CCCOC2CCCCC2)c(I)n1 ZINC000894159017 663446147 /nfs/dbraw/zinc/44/61/47/663446147.db2.gz XAUDOFGSPYCPSV-UHFFFAOYSA-N 1 0 377.270 2.854 20 0 GFADRO Cn1cc(C[NH2+][C@H]2CCCN(c3ccccc3)C2)c(I)n1 ZINC000894268099 663452050 /nfs/dbraw/zinc/45/20/50/663452050.db2.gz GCKZGHGGMVPWHN-AWEZNQCLSA-N 1 0 396.276 2.783 20 0 GFADRO Clc1nc(N2CCOCC2)sc1C[NH2+]CCc1cnc(C2CC2)nc1 ZINC000894368600 663458480 /nfs/dbraw/zinc/45/84/80/663458480.db2.gz MBOUIKQDDHNESJ-UHFFFAOYSA-N 1 0 379.917 2.633 20 0 GFADRO C[C@@H](NCc1cn(C)nc1I)[C@H](c1ccccc1)[NH+](C)C ZINC000894480049 663464153 /nfs/dbraw/zinc/46/41/53/663464153.db2.gz MSWBSSRBAWCRIE-IUODEOHRSA-N 1 0 398.292 2.806 20 0 GFADRO Cn1ncc(I)c1C[NH2+]CCc1ccc(F)c(F)c1 ZINC000894533561 663467264 /nfs/dbraw/zinc/46/72/64/663467264.db2.gz SFEUYJBRZBBCHX-UHFFFAOYSA-N 1 0 377.176 2.635 20 0 GFADRO Cn1cc(C[NH2+]CCc2ccc3[nH]ccc3c2)c(I)n1 ZINC000894661035 663475217 /nfs/dbraw/zinc/47/52/17/663475217.db2.gz ADBJSTLVXUGWOR-UHFFFAOYSA-N 1 0 380.233 2.838 20 0 GFADRO Cn1nc(Br)nc1CN[C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000894676412 663475528 /nfs/dbraw/zinc/47/55/28/663475528.db2.gz PXQKQLKWFFXSNG-HNNXBMFYSA-N 1 0 392.345 2.968 20 0 GFADRO COc1ccc(C[NH2+]C[C@@H](CO)Cc2cc(Br)ccc2OC)nc1 ZINC000894766984 663480496 /nfs/dbraw/zinc/48/04/96/663480496.db2.gz YFRAEMDLTXMPPK-ZDUSSCGKSA-N 1 0 395.297 2.802 20 0 GFADRO CCc1nnc(C[NH2+]C[C@H](CO)Cc2ccc(F)c(Br)c2)s1 ZINC000894769892 663480725 /nfs/dbraw/zinc/48/07/25/663480725.db2.gz XPFRPOUZOYSFNM-LLVKDONJSA-N 1 0 388.306 2.943 20 0 GFADRO CC(C)Oc1ccc([C@@H](CNCc2nc(Br)nn2C)[NH+](C)C)cc1 ZINC000894781033 663481020 /nfs/dbraw/zinc/48/10/20/663481020.db2.gz MPZPBIAKMQWQQM-OAHLLOKOSA-N 1 0 396.333 2.757 20 0 GFADRO CO[C@](C)(C[NH2+]Cc1cn(C)nc1I)c1ccccc1 ZINC000894899219 663487387 /nfs/dbraw/zinc/48/73/87/663487387.db2.gz SKCPCWSHEQGNPN-OAHLLOKOSA-N 1 0 385.249 2.676 20 0 GFADRO Brc1c[nH]c(CN2CCO[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]32)n1 ZINC000895152460 663501009 /nfs/dbraw/zinc/50/10/09/663501009.db2.gz MZUJEDLRJIQZCI-CVEARBPZSA-N 1 0 391.313 2.648 20 0 GFADRO CC(=O)Nc1cc(Br)ccc1C[NH2+]C[C@H]1CC(=O)N(C2CC2)C1 ZINC000895176925 663501962 /nfs/dbraw/zinc/50/19/62/663501962.db2.gz SEGMUIIZKCWDOP-GFCCVEGCSA-N 1 0 380.286 2.508 20 0 GFADRO C[C@@H](Nc1ccc(Br)c(C(F)(F)F)n1)[C@H]1C[N@H+](C)CCN1C ZINC000895247531 663504879 /nfs/dbraw/zinc/50/48/79/663504879.db2.gz VMFHVNIQBLVRNV-MWLCHTKSSA-N 1 0 381.240 2.909 20 0 GFADRO C[C@H](Nc1ccc(Br)c(C(F)(F)F)n1)[C@@H]1C[N@H+](C)CCN1C ZINC000895247532 663504922 /nfs/dbraw/zinc/50/49/22/663504922.db2.gz VMFHVNIQBLVRNV-ONGXEEELSA-N 1 0 381.240 2.909 20 0 GFADRO COc1cc(C(=O)N2CCN(c3cc[nH+]cc3)C[C@@H]2C)cnc1Br ZINC000895267391 663506225 /nfs/dbraw/zinc/50/62/25/663506225.db2.gz GUFSSVXJZMOVSN-LBPRGKRZSA-N 1 0 391.269 2.599 20 0 GFADRO CC1(C)CNC(=O)[C@H]1[NH2+]Cc1cc(Br)c(Br)s1 ZINC000895323675 663508329 /nfs/dbraw/zinc/50/83/29/663508329.db2.gz FZGIYHFKIQGUSY-MRVPVSSYSA-N 1 0 382.121 2.887 20 0 GFADRO Cn1ncc(I)c1C[NH2+][C@@H]1[C@@H]2Cc3cc(F)ccc3[C@@H]21 ZINC000895345443 663509509 /nfs/dbraw/zinc/50/95/09/663509509.db2.gz UDUADFSNPYBYPB-BYCMXARLSA-N 1 0 383.208 2.592 20 0 GFADRO Cn1cc(CNC[C@@H]2CC[N@@H+]2C2CCCCC2)c(I)n1 ZINC000895391244 663511356 /nfs/dbraw/zinc/51/13/56/663511356.db2.gz VWGWANRBESJXTE-AWEZNQCLSA-N 1 0 388.297 2.521 20 0 GFADRO Cn1ncc(I)c1C[NH2+]C(C)(C)[C@H](O)c1ccccc1 ZINC000895661451 663522426 /nfs/dbraw/zinc/52/24/26/663522426.db2.gz HORQWSGBXNWYLH-CQSZACIVSA-N 1 0 385.249 2.627 20 0 GFADRO C[C@]1(Br)C[C@@H]1C[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C(F)(F)F)C1 ZINC000895661221 663522525 /nfs/dbraw/zinc/52/25/25/663522525.db2.gz CHQRQZQSFNGLCG-AQEIEYEASA-N 1 0 395.263 2.891 20 0 GFADRO Cn1cc(C(=O)N2CCC(C[NH+]3CCCCCC3)CC2)c(Br)n1 ZINC000895721717 663525552 /nfs/dbraw/zinc/52/55/52/663525552.db2.gz HRIMQENIKOGUSU-UHFFFAOYSA-N 1 0 383.334 2.911 20 0 GFADRO CCOC(=O)c1ncc(C[NH2+]C[C@@H](C)c2ccc(S(C)(=O)=O)cc2)s1 ZINC000895832467 663529369 /nfs/dbraw/zinc/52/93/69/663529369.db2.gz HHJQPECHVKXJCA-GFCCVEGCSA-N 1 0 382.507 2.617 20 0 GFADRO CC(C)(C)OC(=O)N[C@@H](CC(F)F)C[N@@H+]1CC[C@](CO)(C(F)(F)F)C1 ZINC000895837161 663529745 /nfs/dbraw/zinc/52/97/45/663529745.db2.gz RRMQRQSUMDYDLM-HZMBPMFUSA-N 1 0 376.366 2.782 20 0 GFADRO CC[NH+](CC)C[C@@H]1CCN(C(=O)NCc2cc(Br)cnc2OC)C1 ZINC000895982849 663536029 /nfs/dbraw/zinc/53/60/29/663536029.db2.gz GUJRFZHAERHBJK-ZDUSSCGKSA-N 1 0 399.333 2.726 20 0 GFADRO NS(=O)(=O)c1cccc(C[N@@H+]2CCC[C@@H](c3nc4c(s3)CCC4)C2)c1 ZINC000896519366 663560386 /nfs/dbraw/zinc/56/03/86/663560386.db2.gz ZCIKPQLTHJINRE-CQSZACIVSA-N 1 0 377.535 2.659 20 0 GFADRO CSc1cc(Br)ccc1C(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCN1C ZINC000896532771 663561706 /nfs/dbraw/zinc/56/17/06/663561706.db2.gz MCRGEWJPSKYCQA-RISCZKNCSA-N 1 0 386.359 2.535 20 0 GFADRO Cc1cc(C(C)(C)C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCN2C)ccc1Br ZINC000896537761 663562092 /nfs/dbraw/zinc/56/20/92/663562092.db2.gz BJLSOKLJQPSFNS-PBHICJAKSA-N 1 0 396.373 2.786 20 0 GFADRO Cc1cc(Br)cc2c(C(=O)N[C@H](C)[C@H]3C[N@H+](C)CCN3C)coc21 ZINC000896547531 663562835 /nfs/dbraw/zinc/56/28/35/663562835.db2.gz GOKDROLJUKOGSP-MLGOLLRUSA-N 1 0 394.313 2.868 20 0 GFADRO C[C@H](NC(=O)C1(c2ccc(Br)cc2)CCC1)[C@@H]1C[N@H+](C)CCN1C ZINC000896556955 663563568 /nfs/dbraw/zinc/56/35/68/663563568.db2.gz RXBYLOXWFGGFOB-YOEHRIQHSA-N 1 0 394.357 2.621 20 0 GFADRO C[C@H](NC(=O)CCCc1ccc(Br)s1)[C@H]1C[N@H+](C)CCN1C ZINC000896575905 663565522 /nfs/dbraw/zinc/56/55/22/663565522.db2.gz CYTLLZYADMSLSI-GXTWGEPZSA-N 1 0 388.375 2.584 20 0 GFADRO O[C@]1(c2ccc(Br)cc2)CCC[N@H+](Cc2cnc3cnccn23)C1 ZINC000897032542 663587685 /nfs/dbraw/zinc/58/76/85/663587685.db2.gz CUZSRDCMEGETGY-GOSISDBHSA-N 1 0 387.281 2.975 20 0 GFADRO N=[S@](=O)(c1ccc(N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)cc1)C(F)(F)F ZINC000897219765 663595174 /nfs/dbraw/zinc/59/51/74/663595174.db2.gz OBJNGGGEPCBNQU-XESHVACXSA-N 1 0 377.432 2.647 20 0 GFADRO Oc1cc(F)c(CC[NH2+]Cc2sc(N3CCOCC3)nc2Cl)c(F)c1 ZINC000897304336 663599401 /nfs/dbraw/zinc/59/94/01/663599401.db2.gz BOBXOZJCEICGCH-UHFFFAOYSA-N 1 0 389.855 2.949 20 0 GFADRO COc1cc(Br)ccc1[C@@H](C)NC(=O)C1C[NH+](C2CCOCC2)C1 ZINC000897525876 663608449 /nfs/dbraw/zinc/60/84/49/663608449.db2.gz OAJXKHMUBNXWHU-GFCCVEGCSA-N 1 0 397.313 2.746 20 0 GFADRO Cc1noc(C[C@H]2CCC[N@H+](Cc3cnn4cc(Br)cnc34)C2)n1 ZINC000897577625 663612136 /nfs/dbraw/zinc/61/21/36/663612136.db2.gz UVIJFTWWAZZDKO-GFCCVEGCSA-N 1 0 391.273 2.638 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)S3)cc1Br ZINC000897746259 663618229 /nfs/dbraw/zinc/61/82/29/663618229.db2.gz BRJZUIIGNMLLRE-YOGCLGLASA-N 1 0 391.356 2.613 20 0 GFADRO O=C1Nc2ncc(Br)cc2C[C@@H]1[NH2+]Cc1cccc2c1NCCC2 ZINC000897977132 663627761 /nfs/dbraw/zinc/62/77/61/663627761.db2.gz BUCZDACKTWSIPY-HNNXBMFYSA-N 1 0 387.281 2.855 20 0 GFADRO O=C1Nc2ncc(Br)cc2C[C@@H]1[NH2+][C@@H]1CC[C@@H]2COCC[C@@H]2C1 ZINC000897977668 663628037 /nfs/dbraw/zinc/62/80/37/663628037.db2.gz HHESEZINXGGXNC-FKGLVLAHSA-N 1 0 380.286 2.502 20 0 GFADRO COc1nn(C)cc1C[NH2+]C1CCN(Cc2ccccc2Br)CC1 ZINC000898029042 663630768 /nfs/dbraw/zinc/63/07/68/663630768.db2.gz DGHQTGCOXCGQJN-UHFFFAOYSA-N 1 0 393.329 2.945 20 0 GFADRO COc1cc(Br)c(C[NH2+]C[C@]2(c3cnn(C)c3)CCCO2)cc1O ZINC000898055978 663631608 /nfs/dbraw/zinc/63/16/08/663631608.db2.gz APGBUFSYUIJSHE-KRWDZBQOSA-N 1 0 396.285 2.692 20 0 GFADRO COc1ccc(C[NH2+]C[C@@]2(c3cnn(C)c3)CCCO2)cc1Br ZINC000898060745 663631760 /nfs/dbraw/zinc/63/17/60/663631760.db2.gz GXHJTNLWHCPTSD-QGZVFWFLSA-N 1 0 380.286 2.987 20 0 GFADRO C[C@@H](C(=O)N1CCC(CO)([NH2+]CC2CC2)CC1)c1ccc(Br)cc1 ZINC000898115100 663634248 /nfs/dbraw/zinc/63/42/48/663634248.db2.gz OYOWPDNATDXEQS-CQSZACIVSA-N 1 0 395.341 2.906 20 0 GFADRO O=c1cc(N2CC[C@@H]([NH2+]Cc3cc(Br)ccc3Cl)C2)nc[nH]1 ZINC000898156698 663636364 /nfs/dbraw/zinc/63/63/64/663636364.db2.gz YKXRGCZOVVRZLT-GFCCVEGCSA-N 1 0 383.677 2.967 20 0 GFADRO Cc1cc(C[NH2+]Cc2cnc3n2CCOC3)c(C)cc1I ZINC000898263219 663641320 /nfs/dbraw/zinc/64/13/20/663641320.db2.gz FDGKMYVKTRZVMW-UHFFFAOYSA-N 1 0 397.260 2.925 20 0 GFADRO O=c1ccn(CCC[NH2+]C2CC(c3cccc(Br)c3)C2)c(=O)[nH]1 ZINC000898328448 663643752 /nfs/dbraw/zinc/64/37/52/663643752.db2.gz KXQPCQKUZBMOKU-UHFFFAOYSA-N 1 0 378.270 2.637 20 0 GFADRO CSc1cc(Br)ccc1C[NH2+]CCCn1ccc(=O)[nH]c1=O ZINC000898332313 663644035 /nfs/dbraw/zinc/64/40/35/663644035.db2.gz KGSOXDXLAWMKKZ-UHFFFAOYSA-N 1 0 384.299 2.613 20 0 GFADRO Cc1c(Br)cncc1C[NH2+][C@@H]1CCN(c2cn[nH]c(=O)c2Cl)C1 ZINC000898372843 663645325 /nfs/dbraw/zinc/64/53/25/663645325.db2.gz YKMMOQIRBLCAKA-LLVKDONJSA-N 1 0 398.692 2.670 20 0 GFADRO CCO[P@](C)(=O)CC[C@@H](C)[NH2+][C@H]1CCN(c2cn[nH]c(=O)c2Cl)C1 ZINC000898372672 663645391 /nfs/dbraw/zinc/64/53/91/663645391.db2.gz VYIGIQYUYWTYDU-BWJFDKCMSA-N 1 0 376.825 2.727 20 0 GFADRO CC(C)CN(CC1CC[NH+](C)CC1)C(=O)NCc1ncc(Br)cn1 ZINC000898381848 663646034 /nfs/dbraw/zinc/64/60/34/663646034.db2.gz NPLFMXUTTOXCDK-UHFFFAOYSA-N 1 0 398.349 2.749 20 0 GFADRO C[C@H]([NH2+][C@H](CO)c1ccccc1I)C1CCOCC1 ZINC000898512872 663654189 /nfs/dbraw/zinc/65/41/89/663654189.db2.gz NRQJCELJGQXJEQ-XHDPSFHLSA-N 1 0 375.250 2.729 20 0 GFADRO C[C@@H]([NH2+][C@H](CO)c1ccccc1I)C1CCOCC1 ZINC000898512870 663654240 /nfs/dbraw/zinc/65/42/40/663654240.db2.gz NRQJCELJGQXJEQ-IAQYHMDHSA-N 1 0 375.250 2.729 20 0 GFADRO Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)NCc2cscc2Cl)o1 ZINC000898588977 663657311 /nfs/dbraw/zinc/65/73/11/663657311.db2.gz LBMBEENAGBUJKR-UHFFFAOYSA-N 1 0 383.901 2.510 20 0 GFADRO Cc1ccc(Br)nc1C(=O)NC1CC[NH+](C2CCOCC2)CC1 ZINC000898634557 663658675 /nfs/dbraw/zinc/65/86/75/663658675.db2.gz BCZGDWDJONGQJK-UHFFFAOYSA-N 1 0 382.302 2.526 20 0 GFADRO C[C@@H]1C[C@H](N(C)C(=O)C(=O)NCCc2ccc(Cl)c(Cl)c2)CC[N@@H+]1C ZINC000898660076 663659153 /nfs/dbraw/zinc/65/91/53/663659153.db2.gz OMNRSFCOMPWWAH-TZMCWYRMSA-N 1 0 386.323 2.593 20 0 GFADRO Cn1ncc(C(F)(F)F)c1C[NH2+][C@@H]1CCc2ncc(Br)n2C1 ZINC000898719400 663660324 /nfs/dbraw/zinc/66/03/24/663660324.db2.gz FIXBDTDGSVFWMS-MRVPVSSYSA-N 1 0 378.196 2.503 20 0 GFADRO C[N@H+](CC(=O)Nc1cc(Br)cc2c1NC(=O)CO2)CC(C)(C)C ZINC000899236644 663680301 /nfs/dbraw/zinc/68/03/01/663680301.db2.gz VCVOGOFQLJLUIA-UHFFFAOYSA-N 1 0 384.274 2.696 20 0 GFADRO O=C1Nc2ccc(Br)cc2[C@@H]1Cc1nc([C@H]2CCC[NH2+]C2)no1 ZINC000900011715 663706477 /nfs/dbraw/zinc/70/64/77/663706477.db2.gz GIWXXKBRJVUUDG-CABZTGNLSA-N 1 0 377.242 2.578 20 0 GFADRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)c1cc2ncc(Br)cn2n1 ZINC000900216598 663710134 /nfs/dbraw/zinc/71/01/34/663710134.db2.gz WZJGRDXIAHSGTK-ZDUSSCGKSA-N 1 0 394.317 2.876 20 0 GFADRO C[N@@H+]1CCC[C@](O)(CC(=O)N2CCC[C@@H]2c2ccc(Br)cc2)C1 ZINC000900292577 663711836 /nfs/dbraw/zinc/71/18/36/663711836.db2.gz CCGOGKQDXHOJLM-AEFFLSMTSA-N 1 0 381.314 2.959 20 0 GFADRO O=C([C@H](O)c1cccc(Br)c1)N1CCC([NH+]2CCCCC2)CC1 ZINC000900365795 663713429 /nfs/dbraw/zinc/71/34/29/663713429.db2.gz YDSWYNIUGSHEAF-QGZVFWFLSA-N 1 0 381.314 2.959 20 0 GFADRO Cc1cc(Br)ccc1CNC(=O)CCN1CC[NH+](C(C)C)CC1 ZINC000900653955 663718795 /nfs/dbraw/zinc/71/87/95/663718795.db2.gz CKFSNFZSEJJVFK-UHFFFAOYSA-N 1 0 382.346 2.790 20 0 GFADRO CC[N@H+](C)[C@H](C(=O)N[C@H]1CCc2ncc(Br)n2C1)c1ccccc1 ZINC000900926122 663725877 /nfs/dbraw/zinc/72/58/77/663725877.db2.gz HNAMOJXTHPEJKR-YOEHRIQHSA-N 1 0 391.313 2.770 20 0 GFADRO Cc1ccc(F)c(Br)c1C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000900967321 663727830 /nfs/dbraw/zinc/72/78/30/663727830.db2.gz WHXYBMYZSHWBAS-ZDUSSCGKSA-N 1 0 385.277 2.691 20 0 GFADRO C[C@@H]([NH2+][C@@H]1CCc2ncc(Br)n2C1)C(=O)Nc1cc(F)ccc1F ZINC000901727218 663743752 /nfs/dbraw/zinc/74/37/52/663743752.db2.gz DWHOMPXRXNEFNV-MWLCHTKSSA-N 1 0 399.239 2.855 20 0 GFADRO C[NH+]1CCC(OCC(=O)Nc2ccccc2-n2cc(Br)cn2)CC1 ZINC000902603912 663764394 /nfs/dbraw/zinc/76/43/94/663764394.db2.gz IKRSFLFTCGVQSP-UHFFFAOYSA-N 1 0 393.285 2.684 20 0 GFADRO Cc1ccsc1-c1nn(CN2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)c(=S)o1 ZINC000902641950 663765054 /nfs/dbraw/zinc/76/50/54/663765054.db2.gz CQESMRUQOISZPS-KGLIPLIRSA-N 1 0 380.539 2.731 20 0 GFADRO O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)c1nnc(-c2ccns2)o1 ZINC000902780469 663767492 /nfs/dbraw/zinc/76/74/92/663767492.db2.gz WRKXOTFUBJTKRW-NSHDSACASA-N 1 0 375.479 2.822 20 0 GFADRO O=C1[C@@H]([NH2+][C@H]2CC[C@@H]3[C@H]4OCC[C@H]4[C@@H]32)CCN1c1cccc(Br)c1 ZINC000902975087 663770176 /nfs/dbraw/zinc/77/01/76/663770176.db2.gz DPVFMORNWCLUCX-UXJCHEOYSA-N 1 0 391.309 2.958 20 0 GFADRO C[C@@H](CCS(C)(=O)=O)[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)CC(C)(C)C1 ZINC000903114239 663774305 /nfs/dbraw/zinc/77/43/05/663774305.db2.gz XCVXDLQPVJAZHF-LSDHHAIUSA-N 1 0 376.563 2.825 20 0 GFADRO Cc1cc(Br)c(S(=O)(=O)N2CCC([NH+]3CCC3)CC2)s1 ZINC000903203048 663778433 /nfs/dbraw/zinc/77/84/33/663778433.db2.gz MVDCITUECWUQSY-UHFFFAOYSA-N 1 0 379.345 2.678 20 0 GFADRO C[C@@H]([NH2+]CC[C@@H]1CC(=O)N(C)C1)c1ccc(F)c(I)c1 ZINC000903211920 663778617 /nfs/dbraw/zinc/77/86/17/663778617.db2.gz UWGFFBXGEGQZIR-GHMZBOCLSA-N 1 0 390.240 2.949 20 0 GFADRO Brc1ccc(-n2ccc(C[NH2+][C@@H]3CCO[C@@]34CCOC4)n2)cc1 ZINC000903220126 663778805 /nfs/dbraw/zinc/77/88/05/663778805.db2.gz KVRXKHKJBLBIMM-IAGOWNOFSA-N 1 0 378.270 2.672 20 0 GFADRO COc1ncc([C@H](C)[NH2+]C[C@@H]2CCCC[C@@H]2NS(C)(=O)=O)cc1Cl ZINC000903232769 663780099 /nfs/dbraw/zinc/78/00/99/663780099.db2.gz BYYJGBNFASSQGY-HUBLWGQQSA-N 1 0 375.922 2.502 20 0 GFADRO C[C@@H]([NH2+][C@H](C)c1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cncs1 ZINC000903311553 663781287 /nfs/dbraw/zinc/78/12/87/663781287.db2.gz PWNPLZBNZJUVIH-ZIAGYGMSSA-N 1 0 381.523 2.576 20 0 GFADRO CO[C@@]1(C[NH2+][C@H](C)c2ccc(OC(C)C)c(Cl)c2)CCS(=O)(=O)C1 ZINC000903364087 663782853 /nfs/dbraw/zinc/78/28/53/663782853.db2.gz UCTPZEASFVIGTG-CXAGYDPISA-N 1 0 375.918 2.982 20 0 GFADRO CC[C@H]([NH2+]C[C@]1(OC)CCS(=O)(=O)C1)c1ccc(Br)cc1 ZINC000903368745 663783152 /nfs/dbraw/zinc/78/31/52/663783152.db2.gz QOVOBYIPAXLEQI-LSDHHAIUSA-N 1 0 376.316 2.694 20 0 GFADRO COC(=O)c1csc([C@H](C)[NH2+]Cc2cccc(N(C)S(C)(=O)=O)c2)c1 ZINC000903424392 663784431 /nfs/dbraw/zinc/78/44/31/663784431.db2.gz UEKLRJITRLNKSM-LBPRGKRZSA-N 1 0 382.507 2.781 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCN(c2cn[nH]c(=O)c2Cl)C1)c1cncc(Br)c1 ZINC000903435859 663784720 /nfs/dbraw/zinc/78/47/20/663784720.db2.gz SRWWEGHBORLFFC-JOYOIKCWSA-N 1 0 398.692 2.923 20 0 GFADRO O=c1[nH]ncc(N2CC[C@H]([NH2+][C@H]3COCc4cccc(Cl)c43)C2)c1Cl ZINC000903436251 663784830 /nfs/dbraw/zinc/78/48/30/663784830.db2.gz VFAJBEBOWYXPLN-AAEUAGOBSA-N 1 0 381.263 2.929 20 0 GFADRO COC(=O)C1CC2(C1)C[C@H]([NH2+][C@H](C)c1cc(C)sc1C)CCS2(=O)=O ZINC000903453135 663785176 /nfs/dbraw/zinc/78/51/76/663785176.db2.gz SWDQHISOYZEEFU-PBIRYHDKSA-N 1 0 385.551 2.915 20 0 GFADRO COC(=O)C1CC2(C1)C[C@H]([NH2+][C@@H](C)c1cc(C)sc1C)CCS2(=O)=O ZINC000903453136 663785198 /nfs/dbraw/zinc/78/51/98/663785198.db2.gz SWDQHISOYZEEFU-ZEJWKSJJSA-N 1 0 385.551 2.915 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CCCN(S(=O)(=O)c2c[nH]c3cc(Br)ccc32)C1 ZINC000903487134 663785618 /nfs/dbraw/zinc/78/56/18/663785618.db2.gz QTXBWBCRJTXABY-GHMZBOCLSA-N 1 0 386.315 2.678 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CCCN(S(=O)(=O)c2c[nH]c3cc(Br)ccc32)C1 ZINC000903487135 663785646 /nfs/dbraw/zinc/78/56/46/663785646.db2.gz QTXBWBCRJTXABY-MNOVXSKESA-N 1 0 386.315 2.678 20 0 GFADRO Cc1ccc(Br)c(CS(=O)(=O)NC2(C3CC[NH2+]CC3)CC2)c1 ZINC000903555391 663788541 /nfs/dbraw/zinc/78/85/41/663788541.db2.gz LPXKSZWEKIFDGY-UHFFFAOYSA-N 1 0 387.343 2.709 20 0 GFADRO Cc1c(Br)cccc1CS(=O)(=O)NC1(C2CC[NH2+]CC2)CC1 ZINC000903557382 663788699 /nfs/dbraw/zinc/78/86/99/663788699.db2.gz BVNOLZRRIRSXLM-UHFFFAOYSA-N 1 0 387.343 2.709 20 0 GFADRO [NH3+][C@H]1CN(S(=O)(=O)c2c(Cl)cccc2Cl)CC[C@@H]1C(F)(F)F ZINC000903578305 663789917 /nfs/dbraw/zinc/78/99/17/663789917.db2.gz FSQHZBCGCLCICR-XVKPBYJWSA-N 1 0 377.215 2.894 20 0 GFADRO [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(S(=O)(=O)c1cc(Cl)ccc1OC(F)(F)F)C2 ZINC000903579652 663790057 /nfs/dbraw/zinc/79/00/57/663790057.db2.gz OSAFZALSZFRQPG-GDPRMGEGSA-N 1 0 384.807 2.739 20 0 GFADRO [NH3+][C@@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)s2)CC[C@H]1C(F)(F)F ZINC000903580193 663790273 /nfs/dbraw/zinc/79/02/73/663790273.db2.gz SRWZNRMXJQSALU-RNFRBKRXSA-N 1 0 382.351 2.667 20 0 GFADRO [NH3+]C[C@H]1Cc2cc(F)ccc2N(S(=O)(=O)c2c(Cl)ccnc2Cl)C1 ZINC000903588299 663790634 /nfs/dbraw/zinc/79/06/34/663790634.db2.gz IHVMJDFHPAUPRT-SECBINFHSA-N 1 0 390.267 2.854 20 0 GFADRO [NH3+]C[C@H]1Cc2cc(F)ccc2N(S(=O)(=O)c2cnc(Cl)c(Cl)c2)C1 ZINC000903587804 663790713 /nfs/dbraw/zinc/79/07/13/663790713.db2.gz BERFLUGVWRRZJB-SECBINFHSA-N 1 0 390.267 2.854 20 0 GFADRO [NH3+]C[C@]12CC[C@H]1CCN2S(=O)(=O)c1cccc(Cl)c1Br ZINC000903590746 663790885 /nfs/dbraw/zinc/79/08/85/663790885.db2.gz ZFKJGNBCELCZDN-TVQRCGJNSA-N 1 0 379.707 2.604 20 0 GFADRO O=S(=O)(c1ccc(Cl)cc1Br)N1CCC[C@]12CC[NH2+]C2 ZINC000903593915 663791007 /nfs/dbraw/zinc/79/10/07/663791007.db2.gz ZEHVFFDWLATMQG-CYBMUJFWSA-N 1 0 379.707 2.619 20 0 GFADRO Brc1ccc([C@@H]2COCCN2C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)cc1 ZINC000903767147 663806164 /nfs/dbraw/zinc/80/61/64/663806164.db2.gz UTEDQYGMZSQKPR-FGTMMUONSA-N 1 0 381.314 2.591 20 0 GFADRO COc1ccc(CN2CC[NH2+]CCC23CCOCC3)c(Br)c1OC ZINC000903817880 663807579 /nfs/dbraw/zinc/80/75/79/663807579.db2.gz NMNUSMJJFNSYAA-UHFFFAOYSA-N 1 0 399.329 2.811 20 0 GFADRO Cc1ccc(NCc2cnnn2[C@H]2CCC[NH2+]C2)cc1I ZINC000903918480 663811480 /nfs/dbraw/zinc/81/14/80/663811480.db2.gz ADKYQJZJDLQVGB-ZDUSSCGKSA-N 1 0 397.264 2.728 20 0 GFADRO Cc1c(C[C@H](C[NH3+])CN2CCC[C@H]2c2ccc(Br)cn2)cnn1C ZINC000903930221 663812197 /nfs/dbraw/zinc/81/21/97/663812197.db2.gz VECGDKYCCYZCEV-KDOFPFPSSA-N 1 0 392.345 2.841 20 0 GFADRO O=C1O[C@@H](c2nc([C@@H]3CCC[NH2+]C3)no2)Cc2ccc(Br)cc21 ZINC000904073290 663822530 /nfs/dbraw/zinc/82/25/30/663822530.db2.gz KUQDMEKYECTUQQ-ZWNOBZJWSA-N 1 0 378.226 2.753 20 0 GFADRO CO[C@@H](C[NH3+])c1nc(-c2cc(SC)ccc2I)no1 ZINC000904125237 663825405 /nfs/dbraw/zinc/82/54/05/663825405.db2.gz SFPGKNUDAQPPND-JTQLQIEISA-N 1 0 391.234 2.709 20 0 GFADRO CC(=O)NCCN(Cc1ccc(Br)s1)C[C@@]1(C)CCC[NH2+]C1 ZINC000904350782 663831370 /nfs/dbraw/zinc/83/13/70/663831370.db2.gz PSYDJPNYAXQGHZ-INIZCTEOSA-N 1 0 388.375 2.838 20 0 GFADRO CSc1nsc(NC(=O)N[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)n1 ZINC000904368128 663831702 /nfs/dbraw/zinc/83/17/02/663831702.db2.gz IIFMTMUEJIFABV-BDJLRTHQSA-N 1 0 377.495 2.637 20 0 GFADRO [NH3+][C@@]1(CO)CCCN(Cc2cnc(-c3ccc(Br)cc3)s2)C1 ZINC000904402487 663832835 /nfs/dbraw/zinc/83/28/35/663832835.db2.gz QAECJPHXFKCQSF-INIZCTEOSA-N 1 0 382.327 2.858 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)c(C)c1CN1CCC[C@@]([NH3+])(CO)C1 ZINC000904406325 663833084 /nfs/dbraw/zinc/83/30/84/663833084.db2.gz FYGFXTKZQKSJAA-SFHVURJKSA-N 1 0 393.329 2.537 20 0 GFADRO COCC[C@@H]1C[NH2+]CCN1C(=O)Nc1cc(Br)c(C)cc1OC ZINC000904420304 663833385 /nfs/dbraw/zinc/83/33/85/663833385.db2.gz JZLCLNDDRUONFZ-GFCCVEGCSA-N 1 0 386.290 2.608 20 0 GFADRO COCC[C@@H]1C[NH2+]CCN1C(=O)Nc1cc(F)cc(F)c1Br ZINC000904429880 663833911 /nfs/dbraw/zinc/83/39/11/663833911.db2.gz ATDGLCGWCJBCEQ-SNVBAGLBSA-N 1 0 378.217 2.570 20 0 GFADRO CNC(=O)c1cccc(NC(=O)N2CCC[C@H]3CC[C@]32C[NH3+])c1Br ZINC000904483431 663835739 /nfs/dbraw/zinc/83/57/39/663835739.db2.gz JGHDHPMMEUMHIG-GTNSWQLSSA-N 1 0 395.301 2.544 20 0 GFADRO [NH3+]C[C@@]12CC[C@@H]1CCN2C(=O)Nc1ccn(-c2ccc(Br)cc2)n1 ZINC000904485966 663835984 /nfs/dbraw/zinc/83/59/84/663835984.db2.gz ZWPMIFRAMSJWCD-PXAZEXFGSA-N 1 0 390.285 2.980 20 0 GFADRO COCCOc1ccc(NC(=O)N[C@]23CCC[C@@H]2[NH2+]CC3)cc1Br ZINC000904547138 663837277 /nfs/dbraw/zinc/83/72/77/663837277.db2.gz CAPZRHDDZUSTND-RDJZCZTQSA-N 1 0 398.301 2.880 20 0 GFADRO COCCOc1ccc(NC(=O)N[C@H]2CCC[NH2+]CC2)cc1Br ZINC000904550389 663837734 /nfs/dbraw/zinc/83/77/34/663837734.db2.gz FBBYLXVBIROWNK-LBPRGKRZSA-N 1 0 386.290 2.738 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)C[NH2+]C[C@@H](O)CC1(CO)CCCC1 ZINC000905022118 663849809 /nfs/dbraw/zinc/84/98/09/663849809.db2.gz CEBBAYYQWUKVSS-HNNXBMFYSA-N 1 0 399.329 2.589 20 0 GFADRO CCN(CC)S(=O)(=O)c1ccc(C[NH2+]C[C@H](O)c2cccc(C)c2)s1 ZINC000905031454 663850312 /nfs/dbraw/zinc/85/03/12/663850312.db2.gz RGOFJAYJYQASIZ-KRWDZBQOSA-N 1 0 382.551 2.910 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)C[NH2+]C[C@H](O)CC1(CO)CCCC1 ZINC000905080330 663851545 /nfs/dbraw/zinc/85/15/45/663851545.db2.gz KNEJJQNMYVRVFC-OAHLLOKOSA-N 1 0 399.329 2.589 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CC[NH2+]C[C@H](O)CC1(O)CCCC1 ZINC000905091241 663852202 /nfs/dbraw/zinc/85/22/02/663852202.db2.gz ZACHKGHCYDOULO-OAHLLOKOSA-N 1 0 399.329 2.732 20 0 GFADRO OCC1(C[C@@H](O)C[NH2+][C@H]2CCN(c3cccc(Br)c3)C2)CCCC1 ZINC000905237351 663861611 /nfs/dbraw/zinc/86/16/11/663861611.db2.gz JJAZQLOJDCXHHG-FUHWJXTLSA-N 1 0 397.357 2.921 20 0 GFADRO O[C@H](C[NH2+]Cc1cnn(-c2ccc(Br)cc2)c1)CC1(O)CCCC1 ZINC000905238927 663861615 /nfs/dbraw/zinc/86/16/15/663861615.db2.gz YFGOAHQCEVGBBO-KRWDZBQOSA-N 1 0 394.313 2.781 20 0 GFADRO O[C@@H](CC[C@H](O)c1ccccc1)C[NH2+]CCCn1cc(Br)cn1 ZINC000905263706 663863264 /nfs/dbraw/zinc/86/32/64/663863264.db2.gz WATORCVSDZDEPQ-IRXDYDNUSA-N 1 0 382.302 2.500 20 0 GFADRO O=S(=O)(CC1CC[NH2+]CC1)N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000905332093 663865940 /nfs/dbraw/zinc/86/59/40/663865940.db2.gz UQDNOBNTMFQIAA-HNNXBMFYSA-N 1 0 379.551 2.805 20 0 GFADRO O=S(=O)(CC1CC[NH2+]CC1)N(Cc1ccccc1C(F)(F)F)C1CC1 ZINC000905334677 663866196 /nfs/dbraw/zinc/86/61/96/663866196.db2.gz TVZNUTJLCDCIPY-UHFFFAOYSA-N 1 0 376.444 2.999 20 0 GFADRO O[C@@H](C[NH2+]C[C@@H](O)c1cccc(Br)c1)C[C@@H](O)c1ccccc1 ZINC000905369865 663867943 /nfs/dbraw/zinc/86/79/43/663867943.db2.gz DBHLIHPCYVOVAD-KZNAEPCWSA-N 1 0 380.282 2.557 20 0 GFADRO Cn1cc(C[NH2+]C[C@@H](O)CO[C@H]2CCCc3ccccc32)c(Br)n1 ZINC000905520847 663875961 /nfs/dbraw/zinc/87/59/61/663875961.db2.gz MGQOPLFVZWBPEU-WBVHZDCISA-N 1 0 394.313 2.727 20 0 GFADRO CC(C)O[C@]1(C[NH2+]C[C@@](C)(O)c2ccc(Br)cc2F)CCOC1 ZINC000905559442 663878278 /nfs/dbraw/zinc/87/82/78/663878278.db2.gz WKMJMDHKAOPTSJ-SJORKVTESA-N 1 0 390.293 2.969 20 0 GFADRO O[C@H](C[NH2+]C[C@@H]1CCN1C1CCOCC1)COc1cc(Cl)ccc1Cl ZINC000905622001 663882325 /nfs/dbraw/zinc/88/23/25/663882325.db2.gz FQAAZGCXGBXXHQ-JKSUJKDBSA-N 1 0 389.323 2.576 20 0 GFADRO Oc1cncc(C[NH2+]C[C@H](O)COc2ccc(Cl)cc2Br)c1 ZINC000905631678 663882595 /nfs/dbraw/zinc/88/25/95/663882595.db2.gz PEWKFBXJWITZIL-ZDUSSCGKSA-N 1 0 387.661 2.733 20 0 GFADRO S=C(Nc1ccc2c(c1)OCCCO2)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000905633027 663882701 /nfs/dbraw/zinc/88/27/01/663882701.db2.gz JEIDRNXUFZDZFX-CABCVRRESA-N 1 0 379.551 2.714 20 0 GFADRO [NH3+]C1CCN(Cc2cn(Cc3oc4ccccc4c3Br)nn2)CC1 ZINC000905812946 663893380 /nfs/dbraw/zinc/89/33/80/663893380.db2.gz MONQHDVXERBMAH-UHFFFAOYSA-N 1 0 390.285 2.758 20 0 GFADRO C[C@@H]1[C@H](C)OC[C@]12CC[C@H](C[NH2+][C@@H](C(N)=O)c1ccc(Br)cc1)O2 ZINC000905841719 663896009 /nfs/dbraw/zinc/89/60/09/663896009.db2.gz FOKVSEUOMTUJBG-ATYKZZGHSA-N 1 0 397.313 2.538 20 0 GFADRO NC(=O)[C@H]([NH2+]C[C@H]1CC[C@@H](C(F)(F)F)O1)c1cccc(Br)c1 ZINC000905850221 663896645 /nfs/dbraw/zinc/89/66/45/663896645.db2.gz GMEJJOAYDWMTKB-GRYCIOLGSA-N 1 0 381.192 2.675 20 0 GFADRO COC(=O)[C@@H](NCc1cc(N(C)C)cc[nH+]1)c1ccccc1Br ZINC000905851535 663896853 /nfs/dbraw/zinc/89/68/53/663896853.db2.gz ZMQUNEMCMQPSQV-INIZCTEOSA-N 1 0 378.270 2.914 20 0 GFADRO COC(=O)[C@H](NCc1cc(N(C)C)cc[nH+]1)c1ccccc1Br ZINC000905851536 663896872 /nfs/dbraw/zinc/89/68/72/663896872.db2.gz ZMQUNEMCMQPSQV-MRXNPFEDSA-N 1 0 378.270 2.914 20 0 GFADRO Cc1ccc(NS(=O)(=O)N=[S@@](C)(=O)c2ccccc2)c(C[NH+](C)C)c1 ZINC000906057726 663915603 /nfs/dbraw/zinc/91/56/03/663915603.db2.gz MNJUBVBBCGQBCQ-DEOSSOPVSA-N 1 0 381.523 2.870 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)c1ccc(Cn2cc(Br)cn2)s1)C1CC1 ZINC000906338459 663938785 /nfs/dbraw/zinc/93/87/85/663938785.db2.gz KWIKXVKAGYEICR-AWEZNQCLSA-N 1 0 397.342 2.825 20 0 GFADRO COCC[N@@H+]1CCCN(C(=O)Cc2sc(C)cc2Br)CC1 ZINC000906409332 663945740 /nfs/dbraw/zinc/94/57/40/663945740.db2.gz ACRIGKIOAFYDAO-UHFFFAOYSA-N 1 0 375.332 2.542 20 0 GFADRO CN(CC1CC[NH+](C)CC1)C(=O)c1cnnn1-c1cc(Cl)ccc1Cl ZINC000906569391 663958870 /nfs/dbraw/zinc/95/88/70/663958870.db2.gz QJIXJCSPSSBKHJ-UHFFFAOYSA-N 1 0 382.295 2.988 20 0 GFADRO CC[NH+](CC)CCCCNC(=O)c1cc(Br)cn(C2CC2)c1=O ZINC000906673715 663964398 /nfs/dbraw/zinc/96/43/98/663964398.db2.gz KVOLRFNAFPNVAP-UHFFFAOYSA-N 1 0 384.318 2.798 20 0 GFADRO O=C(NC[C@@H]1CCCCC[NH2+]1)C(=O)Nc1ccc(Cl)c(OC(F)F)c1 ZINC000906736444 663967645 /nfs/dbraw/zinc/96/76/45/663967645.db2.gz ACZXUYNXBISXTR-NSHDSACASA-N 1 0 375.803 2.528 20 0 GFADRO CO[C@H](C(=O)N(C)[C@@H]1CC[N@H+](C)C[C@@H]1C)c1ccc(Br)s1 ZINC000906790086 663971130 /nfs/dbraw/zinc/97/11/30/663971130.db2.gz HXLMOYRPENIMRR-WDMOLILDSA-N 1 0 375.332 2.997 20 0 GFADRO O=S(=O)(c1c[nH]c2ncc(Cl)cc12)N1CCC([NH+]2CCCCC2)CC1 ZINC000906851276 663976505 /nfs/dbraw/zinc/97/65/05/663976505.db2.gz GDFAIDZKHJXPPU-UHFFFAOYSA-N 1 0 382.917 2.855 20 0 GFADRO CC(C)n1cc(Br)c(C(=O)N2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)n1 ZINC000907091307 664001216 /nfs/dbraw/zinc/00/12/16/664001216.db2.gz QUCSYFNZVXCAKQ-BPLDGKMQSA-N 1 0 399.333 2.550 20 0 GFADRO C[NH+]1CCC2(CCN2S(=O)(=O)c2ccc(Br)cc2Cl)CC1 ZINC000907852086 664065494 /nfs/dbraw/zinc/06/54/94/664065494.db2.gz WZHOYJMOXMTHGM-UHFFFAOYSA-N 1 0 393.734 2.961 20 0 GFADRO Cc1ccc(F)c(Br)c1C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000908002717 664076261 /nfs/dbraw/zinc/07/62/61/664076261.db2.gz VWEZBKWETYBRDP-UHFFFAOYSA-N 1 0 386.309 2.652 20 0 GFADRO CCCC[N@H+](C)C[C@@H](C)NC(=O)c1nscc1I ZINC000908256138 664095057 /nfs/dbraw/zinc/09/50/57/664095057.db2.gz FMUVWKCEKGRTHC-SECBINFHSA-N 1 0 381.283 2.598 20 0 GFADRO CCC[N@H+](CC)C[C@@H](C)NC(=O)c1nscc1I ZINC000908304812 664098162 /nfs/dbraw/zinc/09/81/62/664098162.db2.gz YZUPHIOFCUSOPG-SECBINFHSA-N 1 0 381.283 2.598 20 0 GFADRO C[N@@H+]1CCC[C@]2(CCN(C(=O)C(F)(F)c3ncccc3Br)C2)C1 ZINC000908424351 664105201 /nfs/dbraw/zinc/10/52/01/664105201.db2.gz ZHCIKCUMDCDUHF-HNNXBMFYSA-N 1 0 388.256 2.880 20 0 GFADRO CN(C(=O)c1cc(Br)cn(C2CC2)c1=O)C(C)(C)C[NH+]1CCCC1 ZINC000910935988 664231316 /nfs/dbraw/zinc/23/13/16/664231316.db2.gz PUELQCLOBOHRJC-UHFFFAOYSA-N 1 0 396.329 2.892 20 0 GFADRO C[NH2+]Cc1cccc(NC(=O)c2cc(Br)cn(C3CC3)c2=O)c1 ZINC000911692739 664253478 /nfs/dbraw/zinc/25/34/78/664253478.db2.gz VSMWKSOATYJTKB-UHFFFAOYSA-N 1 0 376.254 2.917 20 0 GFADRO C[C@@H](NC(=O)c1cc2ccc(Br)cc2c(=O)o1)[C@@H]1CCC[NH2+]C1 ZINC000911726583 664254291 /nfs/dbraw/zinc/25/42/91/664254291.db2.gz UEZPMUMUTRJVRE-ZYHUDNBSSA-N 1 0 379.254 2.673 20 0 GFADRO C[C@H](NC(=O)[C@@H](C)c1ccc(I)cc1)[C@H]1CCC[NH2+]C1 ZINC000911727640 664254545 /nfs/dbraw/zinc/25/45/45/664254545.db2.gz YLPRARCFEOUCGG-OBJOEFQTSA-N 1 0 386.277 2.899 20 0 GFADRO C[NH2+]CC1CCN(C(=O)c2cc3ccc(Br)cc3c(=O)o2)CC1 ZINC000911776967 664256284 /nfs/dbraw/zinc/25/62/84/664256284.db2.gz FDUHPXPUAASPAY-UHFFFAOYSA-N 1 0 379.254 2.627 20 0 GFADRO C[NH+]1CCC(N(CCO)C(=O)Cc2ccc(Br)cc2Cl)CC1 ZINC000911934219 664262538 /nfs/dbraw/zinc/26/25/38/664262538.db2.gz ZHLDJLJFANVQAI-UHFFFAOYSA-N 1 0 389.721 2.560 20 0 GFADRO Cc1cc(C(=O)N(CCO)C2CC[NH+](C)CC2)cc(Cl)c1Br ZINC000911942587 664263252 /nfs/dbraw/zinc/26/32/52/664263252.db2.gz GPZMDWHFCWWJLB-UHFFFAOYSA-N 1 0 389.721 2.940 20 0 GFADRO C[NH+]1CCC(N(CCO)C(=O)Cc2ccc(Br)c(Cl)c2)CC1 ZINC000911944506 664263286 /nfs/dbraw/zinc/26/32/86/664263286.db2.gz ZPVUBNJYTONTHH-UHFFFAOYSA-N 1 0 389.721 2.560 20 0 GFADRO C[C@]1(C(=O)Nc2nc(-c3cccc(Br)c3)cs2)C[C@H](O)C[NH2+]1 ZINC000911967738 664264227 /nfs/dbraw/zinc/26/42/27/664264227.db2.gz LXFLIFBZSXOZDI-XHDPSFHLSA-N 1 0 382.283 2.624 20 0 GFADRO Cc1ccc(NC(=O)c2cc3n(n2)CCC[C@H]3[NH3+])cc1I ZINC000911993081 664265283 /nfs/dbraw/zinc/26/52/83/664265283.db2.gz ZNLCIGYHCCTKJH-GFCCVEGCSA-N 1 0 396.232 2.842 20 0 GFADRO CC(C)[C@H]([NH3+])C(=O)NCCC(=O)N(Cc1cccs1)Cc1cccs1 ZINC000912083181 664269879 /nfs/dbraw/zinc/26/98/79/664269879.db2.gz NENRHDKEKNTXFA-KRWDZBQOSA-N 1 0 379.551 2.828 20 0 GFADRO O=C(NCc1cc(F)ccc1Br)[C@@H]1CC[NH2+][C@H]([C@H]2CCCO2)C1 ZINC000912269510 664279073 /nfs/dbraw/zinc/27/90/73/664279073.db2.gz FTMVOWDUEADVLO-XFBWCDHKSA-N 1 0 385.277 2.752 20 0 GFADRO O=C(NC1CC[NH+](C2CCOCC2)CC1)[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000912347331 664282798 /nfs/dbraw/zinc/28/27/98/664282798.db2.gz QFZRIIXZGNDJKO-KRWDZBQOSA-N 1 0 387.307 2.786 20 0 GFADRO COc1cc(/C=C/C(=O)N[C@@]2(C)C[NH+]3CCC2CC3)cc(Br)c1O ZINC000912378870 664284337 /nfs/dbraw/zinc/28/43/37/664284337.db2.gz KXRUXDTZRLHTFR-WHLIDYPQSA-N 1 0 395.297 2.777 20 0 GFADRO COC(=O)C[C@@H](NC(=O)[C@@H]1CCC[C@H]([NH3+])C1)c1ccc(Br)cc1 ZINC000912453538 664287215 /nfs/dbraw/zinc/28/72/15/664287215.db2.gz DXTCYGXLLNYFEV-VHDGCEQUSA-N 1 0 383.286 2.687 20 0 GFADRO Cc1cc(NC(=O)[C@@H]2[C@@H]3CC[NH2+]C[C@@H]32)n(-c2cccc(Br)c2)n1 ZINC000912487322 664290013 /nfs/dbraw/zinc/29/00/13/664290013.db2.gz IMZNKDJLJUDEKJ-IJEWVQPXSA-N 1 0 375.270 2.737 20 0 GFADRO O=C(NCC1CC[NH+](CC2CC2)CC1)c1cccn2ncc(Br)c12 ZINC000912732304 664299773 /nfs/dbraw/zinc/29/97/73/664299773.db2.gz YAMCFJWOKNCZAN-UHFFFAOYSA-N 1 0 391.313 2.949 20 0 GFADRO O=C(c1cc(Br)cc(N2CCCC2)c1)N1CC[C@H]([NH+]2CCC2)C1 ZINC000912901997 664309314 /nfs/dbraw/zinc/30/93/14/664309314.db2.gz IEGSAQZCIBIOPB-INIZCTEOSA-N 1 0 378.314 2.970 20 0 GFADRO O=C(CCNc1ncc(C(F)(F)F)cc1Cl)N1CC[C@H]([NH+]2CCC2)C1 ZINC000912914960 664309690 /nfs/dbraw/zinc/30/96/90/664309690.db2.gz ASIMEDIQVIJMRI-LBPRGKRZSA-N 1 0 376.810 2.862 20 0 GFADRO O=C(c1[nH]nc(-c2ccccc2)c1Br)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000912920585 664310188 /nfs/dbraw/zinc/31/01/88/664310188.db2.gz ZNHZNQNSYSIWAP-CYBMUJFWSA-N 1 0 375.270 2.759 20 0 GFADRO Cc1nn(-c2ccc(Cl)cc2)c(Cl)c1C[NH2+]CCCNS(C)(=O)=O ZINC000913173140 664327713 /nfs/dbraw/zinc/32/77/13/664327713.db2.gz PGAKKTXAWYGRMZ-UHFFFAOYSA-N 1 0 391.324 2.516 20 0 GFADRO C[NH+](C)C1(C)CCN(C(=O)Cc2cccc(I)c2)CC1 ZINC000913394387 664334717 /nfs/dbraw/zinc/33/47/17/664334717.db2.gz FDQDFTMLYORUBQ-UHFFFAOYSA-N 1 0 386.277 2.776 20 0 GFADRO CCCOc1c(Br)cc(C(=O)NC23CC[NH+](CC2)C3)cc1OC ZINC000913625567 664346693 /nfs/dbraw/zinc/34/66/93/664346693.db2.gz VENCEHRXXDHFLQ-UHFFFAOYSA-N 1 0 383.286 2.825 20 0 GFADRO C[NH+](C)CC1(O)CCN(C(=O)c2c(Cl)cc(F)cc2Br)CC1 ZINC000913677611 664349252 /nfs/dbraw/zinc/34/92/52/664349252.db2.gz XDTXYTWEFCGKMJ-UHFFFAOYSA-N 1 0 393.684 2.770 20 0 GFADRO C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)N1CCC(O)(C[NH+](C)C)CC1 ZINC000913681406 664349629 /nfs/dbraw/zinc/34/96/29/664349629.db2.gz GVHHHTFCPHSBQH-LBPRGKRZSA-N 1 0 375.296 2.676 20 0 GFADRO O=C(c1c[nH]nc1-c1ccc(Cl)s1)N1CC[NH+](CCCCCO)CC1 ZINC000913693136 664350747 /nfs/dbraw/zinc/35/07/47/664350747.db2.gz OGYDVLZUBJDNGL-UHFFFAOYSA-N 1 0 382.917 2.712 20 0 GFADRO CC[NH+](CC)[C@@H](C)CNC(=O)N1CCC[C@H]1c1ncc(Br)cn1 ZINC000914069688 664373936 /nfs/dbraw/zinc/37/39/36/664373936.db2.gz YVMYLKBINYDJCV-JSGCOSHPSA-N 1 0 384.322 2.816 20 0 GFADRO CN(Cc1ncc(Br)cn1)C(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000914073343 664374293 /nfs/dbraw/zinc/37/42/93/664374293.db2.gz JMDSXLIKWWQELX-ZDUSSCGKSA-N 1 0 398.330 2.745 20 0 GFADRO C[C@@H]1C[C@H](N(C)S(=O)(=O)Cc2ccc(F)cc2Br)CC[N@@H+]1C ZINC000914179903 664383597 /nfs/dbraw/zinc/38/35/97/664383597.db2.gz XUUQSAHDBHTONK-BXUZGUMPSA-N 1 0 393.322 2.833 20 0 GFADRO C[C@@H]1C[C@@H](N(C)S(=O)(=O)Cc2cccc(F)c2Br)CC[N@@H+]1C ZINC000914179443 664383664 /nfs/dbraw/zinc/38/36/64/664383664.db2.gz LNDXQZIRMVDGKO-YPMHNXCESA-N 1 0 393.322 2.833 20 0 GFADRO CC[NH+](CC)CCO[C@@H]1CCN(S(=O)(=O)c2cscc2C(F)F)C1 ZINC000914215568 664386541 /nfs/dbraw/zinc/38/65/41/664386541.db2.gz NVWQBFXATOIETP-GFCCVEGCSA-N 1 0 382.498 2.807 20 0 GFADRO C[NH+](C)CCN(Cc1cccs1)S(=O)(=O)Cc1noc2c1CCCC2 ZINC000914235471 664389070 /nfs/dbraw/zinc/38/90/70/664389070.db2.gz WNQCMANOZJLMBF-UHFFFAOYSA-N 1 0 383.539 2.509 20 0 GFADRO CN(Cc1ncc(Br)cn1)C(=O)NCCCCCCC[NH+](C)C ZINC000914401759 664407359 /nfs/dbraw/zinc/40/73/59/664407359.db2.gz WNSQGDUXHRZITC-UHFFFAOYSA-N 1 0 386.338 2.893 20 0 GFADRO CC(C)[C@H](CNS(=O)(=O)/C=C/c1ccc(Cl)cc1)N1CC[NH+](C)CC1 ZINC000915354551 664428891 /nfs/dbraw/zinc/42/88/91/664428891.db2.gz ILUYJNLPDBFSAG-RORWEDLISA-N 1 0 385.961 2.502 20 0 GFADRO CC[NH+](CC)CCOC(=O)[C@@H]1CCN(c2ccccc2Br)C1=O ZINC000916092688 664449449 /nfs/dbraw/zinc/44/94/49/664449449.db2.gz ZXMAAEDLGVMZGI-CYBMUJFWSA-N 1 0 383.286 2.687 20 0 GFADRO C[N@H+](CCC(=O)Nc1ccc(Br)cc1)CC(=O)NCc1ccco1 ZINC000917032073 664475523 /nfs/dbraw/zinc/47/55/23/664475523.db2.gz GBLIVXCVVPTWOO-UHFFFAOYSA-N 1 0 394.269 2.619 20 0 GFADRO CC(F)(F)CCCS(=O)(=O)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000917251576 664479311 /nfs/dbraw/zinc/47/93/11/664479311.db2.gz XUPQCDYLBRROEA-UHFFFAOYSA-N 1 0 375.485 2.648 20 0 GFADRO C[NH+](C)C1(CNS(=O)(=O)c2c(Cl)nc3ccccn32)CCCCCC1 ZINC000917651463 664487754 /nfs/dbraw/zinc/48/77/54/664487754.db2.gz JLGTWCLHIOEEGZ-UHFFFAOYSA-N 1 0 384.933 2.921 20 0 GFADRO CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc3nc(SC)sc3c2)C1 ZINC000918476332 664499428 /nfs/dbraw/zinc/49/94/28/664499428.db2.gz DLYUWOXDTFQYIA-GFCCVEGCSA-N 1 0 378.523 2.557 20 0 GFADRO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)N1CCC[C@@H]1c1ncc(Br)cn1 ZINC000919628286 664515937 /nfs/dbraw/zinc/51/59/37/664515937.db2.gz QYIAXNUFRWOBRO-HUUCEWRRSA-N 1 0 394.317 2.570 20 0 GFADRO C[C@H]1CN(C(=O)C[N@@H+](Cc2cccc(Br)c2)CC2CC2)CCO1 ZINC000919673648 664516533 /nfs/dbraw/zinc/51/65/33/664516533.db2.gz DQNNSBCOPLFYLW-AWEZNQCLSA-N 1 0 381.314 2.908 20 0 GFADRO Cn1cc(/C=C\C(=O)N(CC[NH+](C)C)Cc2ccc(Br)cc2)cn1 ZINC000919926030 664519578 /nfs/dbraw/zinc/51/95/78/664519578.db2.gz NEMSFTGBJYDOJS-TWGQIWQCSA-N 1 0 391.313 2.786 20 0 GFADRO C[NH+]1CCC(NC(=O)CSc2nnc(NCc3cccs3)s2)CC1 ZINC000920245512 664523968 /nfs/dbraw/zinc/52/39/68/664523968.db2.gz QTXZNOQQABOPDD-UHFFFAOYSA-N 1 0 383.568 2.514 20 0 GFADRO FC(F)(F)COCCNC(=S)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000920308388 664524953 /nfs/dbraw/zinc/52/49/53/664524953.db2.gz HZHKECRSFJECSK-UHFFFAOYSA-N 1 0 375.460 2.694 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)N2CCC[C@H]2c2ncc(Br)cn2)CC[N@@H+]1C ZINC000920406037 664525799 /nfs/dbraw/zinc/52/57/99/664525799.db2.gz XBOQIWQBPFLYAV-XBFCOCLRSA-N 1 0 382.306 2.568 20 0 GFADRO CC(C)CNC(=O)NC(=O)C[N@@H+]1CCC[C@H]1Cc1ccc(Br)cc1 ZINC000920762237 664530814 /nfs/dbraw/zinc/53/08/14/664530814.db2.gz UDQXXFVESIUCRU-INIZCTEOSA-N 1 0 396.329 2.938 20 0 GFADRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)Nc1ccc2nc(SC)sc2c1 ZINC000921129514 664537813 /nfs/dbraw/zinc/53/78/13/664537813.db2.gz ZKXMGPRMNZEPNM-LLVKDONJSA-N 1 0 380.539 2.803 20 0 GFADRO CC(C)OCC[NH+]1CCC(NC(=O)N2CCS[C@H](C(F)(F)F)C2)CC1 ZINC000921241693 664539598 /nfs/dbraw/zinc/53/95/98/664539598.db2.gz FUSNUCWNAWXAGF-AWEZNQCLSA-N 1 0 383.480 2.565 20 0 GFADRO CC(C)CC[NH+]1CCC(CNC(=O)NCc2cnc(Br)cn2)CC1 ZINC000921363032 664543922 /nfs/dbraw/zinc/54/39/22/664543922.db2.gz KIHRYTNQHBHFJF-UHFFFAOYSA-N 1 0 398.349 2.796 20 0 GFADRO C[C@@H](NC(=O)NC[C@@H]1CC[N@@H+]1C)c1nc(-c2ccc(Br)cc2)no1 ZINC000921464585 664549671 /nfs/dbraw/zinc/54/96/71/664549671.db2.gz MXUGSWFQGCQRFJ-MFKMUULPSA-N 1 0 394.273 2.563 20 0 GFADRO Cc1cc(C[NH2+][C@H]2CCc3ncnn3C2)c(C)cc1I ZINC000921700306 664561745 /nfs/dbraw/zinc/56/17/45/664561745.db2.gz LTLQUCQOXFWPJH-ZDUSSCGKSA-N 1 0 382.249 2.604 20 0 GFADRO Cc1nc(CN2CCC(C[NH2+]Cc3nc(Br)c[nH]3)CC2)oc1C ZINC000921730896 664564887 /nfs/dbraw/zinc/56/48/87/664564887.db2.gz FTALLDBIDAALOH-UHFFFAOYSA-N 1 0 382.306 2.779 20 0 GFADRO Brc1ccccc1N1CC[C@H]([NH2+]Cc2cnc3n2CCOC3)C1 ZINC000921730364 664564991 /nfs/dbraw/zinc/56/49/91/664564991.db2.gz ZGXVHNVQGXYSRN-ZDUSSCGKSA-N 1 0 377.286 2.544 20 0 GFADRO Cc1cc(C[NH2+]CC[C@]2(O)CCOC2)c(C)cc1I ZINC000922217222 664590319 /nfs/dbraw/zinc/59/03/19/664590319.db2.gz IENRJBQGRBMQCL-HNNXBMFYSA-N 1 0 375.250 2.539 20 0 GFADRO C[C@H](C[NH2+]Cc1c2c(nn1C)CCOC2)Oc1ccccc1Br ZINC000921817994 664570511 /nfs/dbraw/zinc/57/05/11/664570511.db2.gz WFYUTWINYLVANZ-GFCCVEGCSA-N 1 0 380.286 2.812 20 0 GFADRO CS(=O)(=O)CC1(C[NH2+]Cc2cc3c(cc(F)cc3Br)[nH]2)CC1 ZINC000921819291 664570816 /nfs/dbraw/zinc/57/08/16/664570816.db2.gz MQARZKPCNDSAQW-UHFFFAOYSA-N 1 0 389.290 2.984 20 0 GFADRO Cc1cc(C[NH2+][C@@H](C)CCS(C)(=O)=O)c(C)cc1I ZINC000921849227 664572051 /nfs/dbraw/zinc/57/20/51/664572051.db2.gz OUXFXPKSWWESEN-LBPRGKRZSA-N 1 0 395.306 2.821 20 0 GFADRO CCn1c(Br)c(Br)nc1CNCC[N@H+]1CC=CCC1 ZINC000922080925 664584835 /nfs/dbraw/zinc/58/48/35/664584835.db2.gz FVUDALOWJKEVKD-UHFFFAOYSA-N 1 0 392.139 2.780 20 0 GFADRO Cc1cc(C[NH2+]CC2([S@](C)=O)CC2)c(C)cc1I ZINC000922102823 664585829 /nfs/dbraw/zinc/58/58/29/664585829.db2.gz ZKTPNCHVOYWJBN-SFHVURJKSA-N 1 0 377.291 2.909 20 0 GFADRO Cc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3CC(=O)N(C)C)c1Br ZINC000922122654 664586835 /nfs/dbraw/zinc/58/68/35/664586835.db2.gz HIVFGTPWJAOJEE-ALOPSCKCSA-N 1 0 394.357 2.931 20 0 GFADRO Nc1c(Br)cc(Br)cc1C[NH2+]CC1OCCCO1 ZINC000922281069 664592971 /nfs/dbraw/zinc/59/29/71/664592971.db2.gz QNXHAMUHIXMELH-UHFFFAOYSA-N 1 0 380.080 2.646 20 0 GFADRO CN1C[C@H](CC[NH2+]Cc2c[nH]nc2-c2ccc(Br)s2)CC1=O ZINC000922485263 664603482 /nfs/dbraw/zinc/60/34/82/664603482.db2.gz WTTNOETWEWEPEQ-SNVBAGLBSA-N 1 0 383.315 2.859 20 0 GFADRO Cc1ccc(-c2ccc(C[NH2+]CCS(=O)(=O)N=S(C)(C)=O)s2)cc1 ZINC000922492220 664603983 /nfs/dbraw/zinc/60/39/83/664603983.db2.gz LQIHNQMDVCPHGN-UHFFFAOYSA-N 1 0 386.564 2.871 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+]C[C@@H]2CCC[C@H](C(F)(F)F)O2)cc1Cl ZINC000922699432 664611152 /nfs/dbraw/zinc/61/11/52/664611152.db2.gz WSMRPKCUQZDKAM-GXFFZTMASA-N 1 0 386.823 2.577 20 0 GFADRO FC(F)(F)Cn1ccnc1C[NH2+]CC1(n2cc(Br)cn2)CC1 ZINC000922801640 664614871 /nfs/dbraw/zinc/61/48/71/664614871.db2.gz CQDWORDCOWGQNT-UHFFFAOYSA-N 1 0 378.196 2.683 20 0 GFADRO O=C(c1ccc(F)cc1Br)N1CCC([NH2+]C2CCOCC2)CC1 ZINC000922851921 664616452 /nfs/dbraw/zinc/61/64/52/664616452.db2.gz COQNHXCDDXCXCP-UHFFFAOYSA-N 1 0 385.277 2.961 20 0 GFADRO NS(=O)(=O)c1cc(C[NH2+]CC[C@@H]2OCCc3ccccc32)ccc1Cl ZINC000922957755 664619979 /nfs/dbraw/zinc/61/99/79/664619979.db2.gz HJVPMNBSLMPDHT-KRWDZBQOSA-N 1 0 380.897 2.781 20 0 GFADRO Ic1ccc(C[NH2+]C[C@@H]2CCN2C2CCOCC2)s1 ZINC000922955505 664620008 /nfs/dbraw/zinc/62/00/08/664620008.db2.gz YRGJEEZMYJGFGH-LBPRGKRZSA-N 1 0 392.306 2.696 20 0 GFADRO Cn1nccc1[C@H](O)C[NH2+]Cc1ccc(OC(F)(F)F)c(Br)c1 ZINC000922972564 664620304 /nfs/dbraw/zinc/62/03/04/664620304.db2.gz BHHINJHNKGXHMH-GFCCVEGCSA-N 1 0 394.191 2.904 20 0 GFADRO CCC[N@@H+]1CCC[C@@H]1C(=O)Nc1cc(Br)cc2c1NC(=O)CO2 ZINC000923019940 664621283 /nfs/dbraw/zinc/62/12/83/664621283.db2.gz WKEKWTZAXDKDQN-GFCCVEGCSA-N 1 0 382.258 2.593 20 0 GFADRO C[NH2+]C[C@H]1CCCN(C[C@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000923283912 664627396 /nfs/dbraw/zinc/62/73/96/664627396.db2.gz ZFMUZAUWQGHCRU-OCCSQVGLSA-N 1 0 391.737 2.774 20 0 GFADRO CC1([NH3+])CCN(C[C@@H](O)COc2ccc(Cl)cc2Br)CC1 ZINC000923346226 664628703 /nfs/dbraw/zinc/62/87/03/664628703.db2.gz OIVCHYGGIZUPQD-GFCCVEGCSA-N 1 0 377.710 2.655 20 0 GFADRO O[C@@H](COc1c(Cl)cccc1Cl)CN1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000923347986 664628794 /nfs/dbraw/zinc/62/87/94/664628794.db2.gz AQSGFMPGHIBCET-RHSMWYFYSA-N 1 0 382.291 2.775 20 0 GFADRO O[C@H](COc1ccc(Cl)cc1Cl)CN1CC[NH2+]C[C@H]1c1cccnc1 ZINC000923349832 664628797 /nfs/dbraw/zinc/62/87/97/664628797.db2.gz WVOIMCPDOCTPMS-RDJZCZTQSA-N 1 0 382.291 2.775 20 0 GFADRO C[C@H]1C[NH2+][C@@H](C)[C@H](C)N1Cc1csc(-c2ccc(S(C)(=O)=O)cc2)n1 ZINC000923437702 664630574 /nfs/dbraw/zinc/63/05/74/664630574.db2.gz VSAADUUZBNPOFQ-IHRRRGAJSA-N 1 0 379.551 2.784 20 0 GFADRO O[C@H](COc1ccc(Cl)cc1Br)CN1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000923458224 664630904 /nfs/dbraw/zinc/63/09/04/664630904.db2.gz NQULBFWBEBCZLS-CORIIIEPSA-N 1 0 389.721 2.526 20 0 GFADRO O=S(=O)(c1cnc(-c2ccccc2)s1)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000923576027 664634176 /nfs/dbraw/zinc/63/41/76/664634176.db2.gz LIKAHEIEPDOPBL-HZPDHXFCSA-N 1 0 377.535 2.963 20 0 GFADRO O=S(=O)(c1cnc(-c2ccccc2)s1)N1CCC2(CC[NH2+]CC2)CC1 ZINC000923637227 664634946 /nfs/dbraw/zinc/63/49/46/664634946.db2.gz UYBBXTSRQRCRBP-UHFFFAOYSA-N 1 0 377.535 2.964 20 0 GFADRO [NH3+][C@H]1CCCO[C@H]1C1CCN(S(=O)(=O)c2cscc2C(F)F)CC1 ZINC000923646520 664634995 /nfs/dbraw/zinc/63/49/95/664634995.db2.gz LAEAVSDCIQHYKT-JSGCOSHPSA-N 1 0 380.482 2.593 20 0 GFADRO [NH3+]C[C@@]1(c2ccccc2)C[C@H](NS(=O)(=O)c2ccccc2Br)C1 ZINC000923738676 664637258 /nfs/dbraw/zinc/63/72/58/664637258.db2.gz IAROGSVBEWAFLS-KDYLLFBJSA-N 1 0 395.322 2.787 20 0 GFADRO COc1ccc(Cl)c(S(=O)(=O)N[C@H]2C[C@@](C[NH3+])(c3ccccc3)C2)c1 ZINC000923742709 664637396 /nfs/dbraw/zinc/63/73/96/664637396.db2.gz VRPFAZHXFCHZMD-UJKQEGAGSA-N 1 0 380.897 2.686 20 0 GFADRO C[C@@]1(CS(=O)(=O)N2C[C@H](CC[NH3+])Cc3ccccc32)CC1(Cl)Cl ZINC000923750802 664637732 /nfs/dbraw/zinc/63/77/32/664637732.db2.gz UXZWOKZLDVKZAW-DOMZBBRYSA-N 1 0 377.337 2.928 20 0 GFADRO C[C@H](OC(=O)COC1CC[NH+](C)CC1)C(=O)c1ccc(Br)cc1 ZINC000923791918 664637969 /nfs/dbraw/zinc/63/79/69/664637969.db2.gz IGOIQQGSUJIVMT-LBPRGKRZSA-N 1 0 384.270 2.674 20 0 GFADRO Brc1cnc(C2CC2)nc1-c1nc([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)no1 ZINC000923959340 664641751 /nfs/dbraw/zinc/64/17/51/664641751.db2.gz IGUATLRZLYDJAD-PWSUYJOCSA-N 1 0 392.257 2.702 20 0 GFADRO C[N@@H+]1CC[C@@H](c2nc(-c3cnn(-c4ccc(Br)cc4)c3N)no2)C1 ZINC000924218329 664651331 /nfs/dbraw/zinc/65/13/31/664651331.db2.gz BIOCYOIUZYLNOU-SNVBAGLBSA-N 1 0 389.257 2.686 20 0 GFADRO CN(C)c1cc[nH+]c(CNC(=O)N[C@H](CO)c2cccc(Cl)c2Cl)c1 ZINC000924676328 664659368 /nfs/dbraw/zinc/65/93/68/664659368.db2.gz XLYYEEOOBQGNEQ-OAHLLOKOSA-N 1 0 383.279 2.987 20 0 GFADRO CCCS(=O)(=O)N1CCC([NH2+][C@@H](C)c2cccc(Br)n2)CC1 ZINC000924660830 664659396 /nfs/dbraw/zinc/65/93/96/664659396.db2.gz QSRSIPJHHSZLMK-LBPRGKRZSA-N 1 0 390.347 2.699 20 0 GFADRO CC(C)(C[NH2+][C@H]1C(=O)NCC12CCOCC2)c1ccc(Br)cc1 ZINC000924686924 664659577 /nfs/dbraw/zinc/65/95/77/664659577.db2.gz XLTICMWLHMJHFL-HNNXBMFYSA-N 1 0 381.314 2.612 20 0 GFADRO O=C(NCC[NH2+][C@@H](C1CC1)C1CCOCC1)c1ccc(Br)cc1 ZINC000924733348 664660349 /nfs/dbraw/zinc/66/03/49/664660349.db2.gz SRSQIGUONBRQEG-KRWDZBQOSA-N 1 0 381.314 2.974 20 0 GFADRO O=C(NCC[NH2+][C@H](C1CC1)[C@@H]1CCCOC1)c1ccc(Br)cc1 ZINC000924731862 664660410 /nfs/dbraw/zinc/66/04/10/664660410.db2.gz LALABPHDRBKSGJ-NVXWUHKLSA-N 1 0 381.314 2.974 20 0 GFADRO CSC[C@@H]1NC(=O)N(C[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)C1=O ZINC000924740973 664660669 /nfs/dbraw/zinc/66/06/69/664660669.db2.gz HDEDKLXNSJHBSY-CQDKDKBSSA-N 1 0 385.892 2.755 20 0 GFADRO C[C@@H]([NH2+][C@@H](C)C1(Br)CC1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000924748356 664660859 /nfs/dbraw/zinc/66/08/59/664660859.db2.gz QVPMNHBJPMTXIK-NEPJUHHUSA-N 1 0 375.332 2.904 20 0 GFADRO C[C@H](C[C@@H]1CCC(=O)N1)[NH2+][C@@H](C)c1cc2c(cc1Br)OCCO2 ZINC000924822871 664662283 /nfs/dbraw/zinc/66/22/83/664662283.db2.gz YHJNHULRSBZVGO-WOPDTQHZSA-N 1 0 383.286 2.928 20 0 GFADRO COc1ccc(Br)c(C(=O)NCCC[NH2+][C@@H]2[C@@H](C)COC[C@H]2C)c1 ZINC000925015437 664665129 /nfs/dbraw/zinc/66/51/29/664665129.db2.gz KPLGPKHRYBGURX-LAQFHYBYSA-N 1 0 399.329 2.838 20 0 GFADRO COc1ccc(Br)c(C(=O)NCCC[NH2+]C2[C@@H](C)COC[C@@H]2C)c1 ZINC000925015439 664665169 /nfs/dbraw/zinc/66/51/69/664665169.db2.gz KPLGPKHRYBGURX-STQMWFEESA-N 1 0 399.329 2.838 20 0 GFADRO C[C@H]([NH2+]Cc1ccc(Br)cc1F)C1CCN(S(C)(=O)=O)CC1 ZINC000925027518 664665521 /nfs/dbraw/zinc/66/55/21/664665521.db2.gz IIZYKLOXLDASNI-NSHDSACASA-N 1 0 393.322 2.738 20 0 GFADRO C[C@H](NC[C@@H]1C[N@H+](C)CCN1C)C(F)(F)c1ccc(Br)cc1 ZINC000925033518 664665647 /nfs/dbraw/zinc/66/56/47/664665647.db2.gz VZGDGTPLGSLNBZ-SWLSCSKDSA-N 1 0 376.289 2.765 20 0 GFADRO C[C@H]([NH2+][C@H]1CCN(c2ccccc2C(N)=O)C1)c1cccc(Br)n1 ZINC000925039530 664665816 /nfs/dbraw/zinc/66/58/16/664665816.db2.gz OTYQUFRDMSXCDJ-STQMWFEESA-N 1 0 389.297 2.873 20 0 GFADRO CC[N@@H+]1CC[C@@H]1CN1C(=O)CN([C@H](C)c2cccc(Br)c2)C1=O ZINC000925095481 664666805 /nfs/dbraw/zinc/66/68/05/664666805.db2.gz IQKSOBRRCDXICX-IUODEOHRSA-N 1 0 380.286 2.869 20 0 GFADRO CC(C)(C)OC(=O)N[C@H]1C[C@H]2COC[C@@H](C1)[C@@H]2[NH2+]C[C@@H]1CSCCS1 ZINC000925241511 664669244 /nfs/dbraw/zinc/66/92/44/664669244.db2.gz ICLKYQUVKOFZLW-JKJDWNRSSA-N 1 0 388.599 2.743 20 0 GFADRO CC[N@@H+]1CCC[C@H](N2C(=O)N[C@@H](c3ccc(OC)c(Br)c3)C2=O)C1 ZINC000925300516 664670149 /nfs/dbraw/zinc/67/01/49/664670149.db2.gz WLKNTJUYLPMBGA-WFASDCNBSA-N 1 0 396.285 2.535 20 0 GFADRO C[C@@H]1[C@@H](NC(=O)N[C@@H](CO)c2ccc(Cl)cc2C(F)(F)F)CC[N@@H+]1C ZINC000925339758 664670696 /nfs/dbraw/zinc/67/06/96/664670696.db2.gz SDNQDZUBUZAIOV-IIMNLJJBSA-N 1 0 379.810 2.784 20 0 GFADRO O=S1(=O)CCCN1CCC[NH2+][C@H](c1cccc(Cl)c1)c1ccccn1 ZINC000925360827 664671000 /nfs/dbraw/zinc/67/10/00/664671000.db2.gz XGUAJNKLJSOSNF-GOSISDBHSA-N 1 0 379.913 2.840 20 0 GFADRO O=S1(=O)CCCN1CCC[NH2+][C@@H](c1cccc(Cl)c1)c1ccccn1 ZINC000925360828 664671098 /nfs/dbraw/zinc/67/10/98/664671098.db2.gz XGUAJNKLJSOSNF-SFHVURJKSA-N 1 0 379.913 2.840 20 0 GFADRO O=C(NCC[NH2+][C@@H](C1CCC1)[C@@H]1CCOC1)c1cccc(Br)c1 ZINC000925402084 664671964 /nfs/dbraw/zinc/67/19/64/664671964.db2.gz ZUVWZXXUWMXIIL-WBVHZDCISA-N 1 0 381.314 2.974 20 0 GFADRO Cc1nc(-c2cc([C@H](C)[NH2+]CC[C@H]3CNCCS3(=O)=O)cs2)cs1 ZINC000925790663 664674741 /nfs/dbraw/zinc/67/47/41/664674741.db2.gz CCEDBTRIJXGNKZ-FZMZJTMJSA-N 1 0 385.580 2.607 20 0 GFADRO O=S1(=O)CC[C@H](NC[C@]23CCC[C@H]2[NH2+]CC3)c2cc(Br)ccc21 ZINC000925844966 664675749 /nfs/dbraw/zinc/67/57/49/664675749.db2.gz JJENDAYHPDHJIY-USXIJHARSA-N 1 0 399.354 2.789 20 0 GFADRO COC(=O)c1cc(NC(=O)N2CC[C@@H](C(F)(F)F)[C@H]([NH3+])C2)ccc1Cl ZINC000925945562 664677935 /nfs/dbraw/zinc/67/79/35/664677935.db2.gz XDWKWDRQHZJIHK-ZYHUDNBSSA-N 1 0 379.766 2.870 20 0 GFADRO COC(=O)c1cc(Cl)cc(NC(=O)N2CC[C@H](C(F)(F)F)[C@H]([NH3+])C2)c1 ZINC000926038433 664679674 /nfs/dbraw/zinc/67/96/74/664679674.db2.gz VZIKTWUPTNDMRK-NWDGAFQWSA-N 1 0 379.766 2.870 20 0 GFADRO [NH3+]C[C@@H]1CC2(CO1)CCN(C(=O)Nc1cc(F)ccc1Br)CC2 ZINC000926062336 664680484 /nfs/dbraw/zinc/68/04/84/664680484.db2.gz XTEGGQAFKQQHKP-LBPRGKRZSA-N 1 0 386.265 2.950 20 0 GFADRO COC(=O)c1c(C2CC2)csc1NC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000926074992 664680879 /nfs/dbraw/zinc/68/08/79/664680879.db2.gz AWZDOBILPHSRCK-NXEZZACHSA-N 1 0 377.388 2.765 20 0 GFADRO COC(=O)c1cc(Br)ccc1NC(=O)N1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000926078759 664680965 /nfs/dbraw/zinc/68/09/65/664680965.db2.gz AWWINPHDUZKIOW-GHMZBOCLSA-N 1 0 384.274 2.684 20 0 GFADRO Cc1cc(Br)c(NC(=O)NCCN2CCC([NH3+])CC2)cc1Cl ZINC000926092405 664681599 /nfs/dbraw/zinc/68/15/99/664681599.db2.gz BDQYGORAICXEBJ-UHFFFAOYSA-N 1 0 389.725 2.956 20 0 GFADRO COC(=O)c1c(C)c(NC(=O)N2CC[C@H](CC[NH3+])C2)ccc1Br ZINC000926103986 664681714 /nfs/dbraw/zinc/68/17/14/664681714.db2.gz BPEUTCHWKBYUCG-NSHDSACASA-N 1 0 384.274 2.747 20 0 GFADRO CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NC(=O)Cc1cccc(Br)c1)C2 ZINC000926177079 664684145 /nfs/dbraw/zinc/68/41/45/664684145.db2.gz DNYZOOMYQZVPQH-ZAWLATJESA-N 1 0 395.341 2.588 20 0 GFADRO CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NC(=O)c1cc(F)ccc1Br)C2 ZINC000926189037 664684470 /nfs/dbraw/zinc/68/44/70/664684470.db2.gz JXGTXRKBYXJIIN-XLMAVXFVSA-N 1 0 399.304 2.798 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)N[C@@H](c2ccc(Cl)cc2Cl)C(F)(F)F)CCO1 ZINC000926202003 664684645 /nfs/dbraw/zinc/68/46/45/664684645.db2.gz AOQAPUXIZYELGG-SKDRFNHKSA-N 1 0 386.201 2.966 20 0 GFADRO CC(C)[C@@H](CC(F)(F)F)[NH2+][C@@H](C)c1ccc(S(=O)(=O)CC(N)=O)cc1 ZINC000926236382 664684933 /nfs/dbraw/zinc/68/49/33/664684933.db2.gz NVRBNWOBLSIAMN-SMDDNHRTSA-N 1 0 380.432 2.573 20 0 GFADRO CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NC(=O)c3ccoc3Br)C2)[C@@H]1C(C)C ZINC000926243023 664685139 /nfs/dbraw/zinc/68/51/39/664685139.db2.gz YWRWXUJXWWLPIR-VWPFQQQWSA-N 1 0 385.302 2.642 20 0 GFADRO COc1cc(Br)cc(CNC(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)c1 ZINC000926285551 664686292 /nfs/dbraw/zinc/68/62/92/664686292.db2.gz RNYVNNKPCCDOIZ-CYBMUJFWSA-N 1 0 384.318 2.941 20 0 GFADRO CCOC1CC(C[NH2+][C@H](C)c2cccc(Br)n2)(N2CCOCC2)C1 ZINC000926301076 664687428 /nfs/dbraw/zinc/68/74/28/664687428.db2.gz WYMHTSPZYNRBMB-KSTDHSDQSA-N 1 0 398.345 2.765 20 0 GFADRO O=S(=O)(NCC[NH2+][C@H](C1CC1)[C@@H]1CCCOC1)c1ccc(F)cc1Cl ZINC000926369000 664688791 /nfs/dbraw/zinc/68/87/91/664688791.db2.gz HQIPCFFKVIIGDV-CXAGYDPISA-N 1 0 390.908 2.552 20 0 GFADRO C[C@H](C[C@H]1CCC(=O)N1)[NH2+][C@@H](C)c1ccc(Br)cc1OCCCO ZINC000926467054 664690258 /nfs/dbraw/zinc/69/02/58/664690258.db2.gz LRBSXLHQYPNLJV-VNHYZAJKSA-N 1 0 399.329 2.918 20 0 GFADRO C[C@@H]1C[C@@H]([NH2+]C[C@@H](CO)Cc2cc(Br)ccc2F)c2ncnn21 ZINC000926543455 664692204 /nfs/dbraw/zinc/69/22/04/664692204.db2.gz ZEIRTOMVZYZESF-JRPNMDOOSA-N 1 0 383.265 2.626 20 0 GFADRO C[C@H]([NH2+]C[C@@H]1CN(C(=O)OC(C)(C)C)CCCO1)C1(Br)CC1 ZINC000926546640 664692324 /nfs/dbraw/zinc/69/23/24/664692324.db2.gz VSEGAKJXXHUTQE-QWHCGFSZSA-N 1 0 377.323 2.918 20 0 GFADRO C[C@H]([NH2+]C[C@H](CO)Cc1ccc(F)c(Br)c1)c1cc(CO)on1 ZINC000926545494 664692348 /nfs/dbraw/zinc/69/23/48/664692348.db2.gz WJWZHFSGUPZZDE-CMPLNLGQSA-N 1 0 387.249 2.570 20 0 GFADRO O=C1NCC2(CCOCC2)[C@H]1[NH2+]CC/C=C/c1ccc(Br)cc1 ZINC000926744230 664696201 /nfs/dbraw/zinc/69/62/01/664696201.db2.gz DIVYKXYOLCELMG-VQRJYJFOSA-N 1 0 379.298 2.737 20 0 GFADRO Cc1ccc([C@@H]([NH2+]CCN2CC[C@H](O)C2)c2cncc(Br)c2)cc1 ZINC000926775143 664696486 /nfs/dbraw/zinc/69/64/86/664696486.db2.gz UDSXPLZSMOXGHH-RBUKOAKNSA-N 1 0 390.325 2.898 20 0 GFADRO C[C@H]([NH2+]CCN1CCC(NC(=O)OC(C)(C)C)CC1)C1(Br)CC1 ZINC000926889969 664698691 /nfs/dbraw/zinc/69/86/91/664698691.db2.gz SKVKPICUNZBICT-ZDUSSCGKSA-N 1 0 390.366 2.881 20 0 GFADRO Cn1nnc2c1C[C@H]([NH2+][C@@H](c1cccc(Br)c1)[C@H]1CCOC1)CC2 ZINC000927143697 664705125 /nfs/dbraw/zinc/70/51/25/664705125.db2.gz PDJIARSIMFWGRU-JOQOYGCGSA-N 1 0 391.313 2.802 20 0 GFADRO C[C@H]([NH2+][C@@H](C)C1CCN(S(C)(=O)=O)CC1)c1cc(Cl)cc2c1OCC2 ZINC000927142412 664705159 /nfs/dbraw/zinc/70/51/59/664705159.db2.gz UVVHMKMXNDXZJV-STQMWFEESA-N 1 0 386.945 2.986 20 0 GFADRO Cc1cc(C(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@H]23)c(C)n1-c1nccs1 ZINC000928093016 664722730 /nfs/dbraw/zinc/72/27/30/664722730.db2.gz JOMLSIUNUYBARB-HZPDHXFCSA-N 1 0 376.551 2.860 20 0 GFADRO C[C@@H]1[C@H](NC(=O)c2cc(Br)nn2-c2ncccc2Cl)CC[N@@H+]1C ZINC000928428483 664732355 /nfs/dbraw/zinc/73/23/55/664732355.db2.gz RPQNUKJYIQOPDD-MWLCHTKSSA-N 1 0 398.692 2.506 20 0 GFADRO C[C@H]1[C@@H](NC(=O)C2(c3ccc(Br)cc3)CCOCC2)CC[N@@H+]1C ZINC000928447104 664732799 /nfs/dbraw/zinc/73/27/99/664732799.db2.gz HOOIDWQICPONEM-BBRMVZONSA-N 1 0 381.314 2.706 20 0 GFADRO C[N@@H+]1CC[C@@H]1CNC(=O)Cc1csc(-c2cccc(Br)c2)n1 ZINC000928569868 664735233 /nfs/dbraw/zinc/73/52/33/664735233.db2.gz YXXZNDKQDIVOFS-CQSZACIVSA-N 1 0 380.311 2.935 20 0 GFADRO C[NH+](C)CC[C@H](NC(=O)c1ccc(Br)c(O)c1)c1cccnc1 ZINC000928830980 664740526 /nfs/dbraw/zinc/74/05/26/664740526.db2.gz KWYFXPUKOVASDP-HNNXBMFYSA-N 1 0 378.270 2.973 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)C1(n2cc(Br)cn2)CC1)c1cccs1 ZINC000929336429 664750489 /nfs/dbraw/zinc/75/04/89/664750489.db2.gz QFEASASHKVCKBU-GFCCVEGCSA-N 1 0 383.315 2.615 20 0 GFADRO CC(C)[N@@H+](Cc1cc(Br)ccc1F)C[C@@H](O)C[C@@]1(O)CCOC1 ZINC000929384756 664751625 /nfs/dbraw/zinc/75/16/25/664751625.db2.gz ZSELGKAQASLGRT-RDJZCZTQSA-N 1 0 390.293 2.701 20 0 GFADRO C[NH+](C)Cc1ccccc1CNC(=O)C1(n2cc(Br)cn2)CC1 ZINC000929418670 664752100 /nfs/dbraw/zinc/75/21/00/664752100.db2.gz KGUHEEPPFOPFQY-UHFFFAOYSA-N 1 0 377.286 2.513 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cnn(Cc2ccccc2)c1Br ZINC000929461123 664752787 /nfs/dbraw/zinc/75/27/87/664752787.db2.gz BJVQZUNMPITVBU-OAHLLOKOSA-N 1 0 391.313 2.908 20 0 GFADRO O=C(C[C@@H]1C(=O)Nc2c1cccc2Br)NC1CC[NH+](C2CC2)CC1 ZINC000929617115 664754915 /nfs/dbraw/zinc/75/49/15/664754915.db2.gz DETQVFLRUKBZIU-AWEZNQCLSA-N 1 0 392.297 2.618 20 0 GFADRO CCOC(=O)[C@H](c1nc(Br)sc1C)N1CC[C@H](C[NH+](C)C)C1 ZINC000929637606 664755466 /nfs/dbraw/zinc/75/54/66/664755466.db2.gz LDPQRUXAPFEJBF-YPMHNXCESA-N 1 0 390.347 2.702 20 0 GFADRO Cn1cc(Br)c(C(=O)NCCC[N@H+](C)C2CCCCC2)cc1=O ZINC000929873831 664759049 /nfs/dbraw/zinc/75/90/49/664759049.db2.gz ATQKEJVAZTZMSE-UHFFFAOYSA-N 1 0 384.318 2.532 20 0 GFADRO CC1(c2cccc(Br)c2)CC[NH+](C[C@@H](O)C2(O)CCOCC2)CC1 ZINC000930159885 664763689 /nfs/dbraw/zinc/76/36/89/664763689.db2.gz JOYFUNCUKFLXCV-QGZVFWFLSA-N 1 0 398.341 2.705 20 0 GFADRO C[C@H]([NH2+]C[C@@H]1C[C@@H]2COC[C@@H]2O1)c1cc2c(cc1Br)OCCO2 ZINC000930208316 664764590 /nfs/dbraw/zinc/76/45/90/664764590.db2.gz MVVRMKXGWXLNCU-JJHQXXDFSA-N 1 0 384.270 2.675 20 0 GFADRO CC(C)[C@@H](CNC(=O)c1cc(=O)n(C)cc1Br)[NH+]1CCC(C)CC1 ZINC000930210632 664764655 /nfs/dbraw/zinc/76/46/55/664764655.db2.gz HLWGCYOMNWVFHT-MRXNPFEDSA-N 1 0 398.345 2.634 20 0 GFADRO CC(C)[C@@H](CC(F)(F)F)[NH2+]C[C@@H](O)C1(S(=O)(=O)NC(C)(C)C)CCC1 ZINC000930247958 664765109 /nfs/dbraw/zinc/76/51/09/664765109.db2.gz BFUWKQUVWJBSPT-CHWSQXEVSA-N 1 0 388.496 2.555 20 0 GFADRO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)Nc2nc(SCc3ccccc3)ns2)C1 ZINC000930400510 664769428 /nfs/dbraw/zinc/76/94/28/664769428.db2.gz DZKFDPWOZCGLJZ-KBPBESRZSA-N 1 0 375.523 2.998 20 0 GFADRO Cc1ccc(NC(=O)NC[C@@H]2CC[N@@H+]2C2CCOCC2)c(Br)n1 ZINC000930462833 664771182 /nfs/dbraw/zinc/77/11/82/664771182.db2.gz GMKNWVAIUHYOSS-ZDUSSCGKSA-N 1 0 383.290 2.527 20 0 GFADRO O=C(NC[C@@H]1CCC[N@@H+](C[C@@H]2CCC[C@@H](C(F)(F)F)O2)C1)C(F)(F)F ZINC000930521032 664772187 /nfs/dbraw/zinc/77/21/87/664772187.db2.gz RWKRKYPPQGVKAF-SRVKXCTJSA-N 1 0 376.341 2.877 20 0 GFADRO COCC[N@@H+]1CCCN(C(=O)c2cc(F)cc(Br)c2F)CC1 ZINC000930685151 664776012 /nfs/dbraw/zinc/77/60/12/664776012.db2.gz WJKAKGXDAHYCBR-UHFFFAOYSA-N 1 0 377.229 2.522 20 0 GFADRO COCCOc1ccc(Br)cc1NC(=O)N[C@H]1CC[N@H+](C)[C@H]1C ZINC000930752942 664777520 /nfs/dbraw/zinc/77/75/20/664777520.db2.gz XWBOBYHXYHOYSA-AAEUAGOBSA-N 1 0 386.290 2.688 20 0 GFADRO COC(=O)c1ccc(Br)c(CN2CCOC3(CC[NH+](C)CC3)C2)c1 ZINC000930823724 664779028 /nfs/dbraw/zinc/77/90/28/664779028.db2.gz TZMHRGNFYBYPKF-UHFFFAOYSA-N 1 0 397.313 2.532 20 0 GFADRO COc1cc(OC)c(NC(=O)N2CC[C@@H]3C[N@H+](C)C[C@H]32)cc1Br ZINC000930976646 664782193 /nfs/dbraw/zinc/78/21/93/664782193.db2.gz SHYLWEDYPZIRFN-ZWNOBZJWSA-N 1 0 384.274 2.634 20 0 GFADRO CCOc1ccc(NC(=O)N2CCN(C)CC[N@H+](C)CC2)cc1Br ZINC000930977720 664782337 /nfs/dbraw/zinc/78/23/37/664782337.db2.gz BATGALYCBSYCIN-UHFFFAOYSA-N 1 0 399.333 2.559 20 0 GFADRO COc1ccc(NC(=O)N[C@@H]2CC[N@H+](C)[C@H]2C)c(I)c1 ZINC000931089560 664785406 /nfs/dbraw/zinc/78/54/06/664785406.db2.gz WVKKQCVKBSPREB-JOYOIKCWSA-N 1 0 389.237 2.514 20 0 GFADRO Cc1cc(C[NH2+][C@]2(CO)CCc3cc(Br)ccc3C2)c(C)nn1 ZINC000931175054 664787492 /nfs/dbraw/zinc/78/74/92/664787492.db2.gz DCYIREVYQZADIK-GOSISDBHSA-N 1 0 376.298 2.866 20 0 GFADRO Cc1cc(C(=O)N2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)oc1Br ZINC000931300546 664790961 /nfs/dbraw/zinc/79/09/61/664790961.db2.gz ADURVYYYKXDQMS-GJZGRUSLSA-N 1 0 398.345 2.981 20 0 GFADRO CC[NH+]1CCC(N(C)C(=O)c2cc3cc(Br)cnc3n2C)CC1 ZINC000931639926 664801175 /nfs/dbraw/zinc/80/11/75/664801175.db2.gz QVKZRTIQCSKIOI-UHFFFAOYSA-N 1 0 379.302 2.892 20 0 GFADRO Cc1ncc(Br)cc1NC(=O)N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000931642843 664801243 /nfs/dbraw/zinc/80/12/43/664801243.db2.gz DMVGUOAQGMQLKE-GXTWGEPZSA-N 1 0 385.331 2.854 20 0 GFADRO O=C(c1cc2ccc(Br)cc2c(=O)o1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000931650635 664801796 /nfs/dbraw/zinc/80/17/96/664801796.db2.gz LMMSZZXAORGZKO-AWEZNQCLSA-N 1 0 391.265 2.866 20 0 GFADRO O=C(C[C@@H]1C(=O)Nc2c1cccc2Br)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000931651286 664801801 /nfs/dbraw/zinc/80/18/01/664801801.db2.gz OOIRMHLTHKQLPI-JSGCOSHPSA-N 1 0 392.297 2.572 20 0 GFADRO OC[C@@H]([NH2+]C[C@@H](O)CC[C@H](O)c1ccccc1)c1ccc(Br)cc1 ZINC000931690002 664802870 /nfs/dbraw/zinc/80/28/70/664802870.db2.gz KZWNBTBGRKFAEC-OTWHNJEPSA-N 1 0 394.309 2.947 20 0 GFADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(Br)cnc1C1CC1 ZINC000931988630 664808334 /nfs/dbraw/zinc/80/83/34/664808334.db2.gz MGWAMTISJONKFR-CQSZACIVSA-N 1 0 382.302 2.562 20 0 GFADRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)c1ncc(C(F)(F)F)cc1Cl ZINC000932034398 664809341 /nfs/dbraw/zinc/80/93/41/664809341.db2.gz LSFGLAPVLNAXIA-GFCCVEGCSA-N 1 0 379.810 2.937 20 0 GFADRO Cn1ccc([C@H]2CCC[N@H+](C[C@@H](O)COc3ccc(Br)cc3)C2)n1 ZINC000932139752 664810930 /nfs/dbraw/zinc/81/09/30/664810930.db2.gz RSTGFKYDMOBLNA-GOEBONIOSA-N 1 0 394.313 2.802 20 0 GFADRO Cc1cc(C(=O)NCC2([NH+]3CCCCC3)CCOCC2)cnc1Br ZINC000932539356 664824937 /nfs/dbraw/zinc/82/49/37/664824937.db2.gz ZBKXVWVRJTYQIL-UHFFFAOYSA-N 1 0 396.329 2.917 20 0 GFADRO CC(C)S(=O)(=O)CCC[N@@H+]1CC[C@@H](CNC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000932706022 664832448 /nfs/dbraw/zinc/83/24/48/664832448.db2.gz UXJXRKIHATVGPP-HOTGVXAUSA-N 1 0 376.563 2.682 20 0 GFADRO C[NH+](C)CC1CCN(C(=O)[C@@](C)(O)c2ccc(F)c(Br)c2)CC1 ZINC000932714051 664832735 /nfs/dbraw/zinc/83/27/35/664832735.db2.gz ZEDOUMOKGBZJIC-KRWDZBQOSA-N 1 0 387.293 2.596 20 0 GFADRO Cc1ccc(Br)c2[nH]c(C(=O)NC[C@H](C)N3CC[NH+](C)CC3)cc21 ZINC000932722468 664833338 /nfs/dbraw/zinc/83/33/38/664833338.db2.gz APFSCPCNHGFFQV-ZDUSSCGKSA-N 1 0 393.329 2.605 20 0 GFADRO Cc1ncc(NC(=O)N2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)c(C)c1Br ZINC000932776999 664837237 /nfs/dbraw/zinc/83/72/37/664837237.db2.gz UUESYATXSCFKOK-NSHDSACASA-N 1 0 399.333 2.770 20 0 GFADRO O[C@H](CCC1(O)CCC1)C[N@@H+]1CCC[C@@](O)(c2ccc(Br)cc2)C1 ZINC000932816786 664840099 /nfs/dbraw/zinc/84/00/99/664840099.db2.gz ZJFGADKYBHSPGL-MJGOQNOKSA-N 1 0 398.341 2.789 20 0 GFADRO C[NH+](C)CCN(Cc1cccs1)C(=O)N[C@H]([C@H]1CCOC1)C(F)(F)F ZINC000933014892 664847033 /nfs/dbraw/zinc/84/70/33/664847033.db2.gz RFVGYTRXQXYBNP-GXTWGEPZSA-N 1 0 379.448 2.789 20 0 GFADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)Nc1c(F)ccc(Br)c1F ZINC000933289873 664854720 /nfs/dbraw/zinc/85/47/20/664854720.db2.gz JUMORWHMMNRKJS-JTQLQIEISA-N 1 0 392.244 2.960 20 0 GFADRO CC(C)c1ncc(Br)c(C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)n1 ZINC000933335237 664859751 /nfs/dbraw/zinc/85/97/51/664859751.db2.gz VYLHMMJMIYSGTB-ZDUSSCGKSA-N 1 0 381.318 2.920 20 0 GFADRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C[C@H]1C(=O)Nc2ccc(Br)cc21 ZINC000933436642 664863856 /nfs/dbraw/zinc/86/38/56/664863856.db2.gz VDYWDYWPVKKSSA-XFJVYGCCSA-N 1 0 394.313 2.674 20 0 GFADRO C[C@@H]1C[C@H](N(C)C(=O)C[C@H]2C(=O)Nc3c2cccc3Br)CC[N@@H+]1C ZINC000933440373 664864436 /nfs/dbraw/zinc/86/44/36/664864436.db2.gz DAELYNVFOWJWPB-YRGRVCCFSA-N 1 0 394.313 2.816 20 0 GFADRO C[C@@H]1C[C@@H](N(C)C(=O)c2cc(Br)c3nccnc3c2)CC[N@@H+]1C ZINC000933440220 664864449 /nfs/dbraw/zinc/86/44/49/664864449.db2.gz BSCGJMRFLUPTPB-YPMHNXCESA-N 1 0 377.286 2.947 20 0 GFADRO CN(C(=O)c1ncc(Br)cn1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000933948141 664882701 /nfs/dbraw/zinc/88/27/01/664882701.db2.gz BLQFGAMQGPBXDM-INIZCTEOSA-N 1 0 389.297 2.976 20 0 GFADRO CCc1ccc(CNC(=O)CN2CCCSC[C@@H]2c2cnn(C)c2)s1 ZINC000933984057 664884581 /nfs/dbraw/zinc/88/45/81/664884581.db2.gz ZFHKRTRWXOSZKV-QGZVFWFLSA-N 1 0 378.567 2.840 20 0 GFADRO COCCOc1ccc(NC(=O)N2CC[C@@H]3C[N@H+](C)C[C@@H]32)cc1Br ZINC000933991601 664885959 /nfs/dbraw/zinc/88/59/59/664885959.db2.gz QTSFMODSUFSPGU-DOMZBBRYSA-N 1 0 398.301 2.642 20 0 GFADRO O=C(NCC[N@@H+]1CCCOCC1)Nc1nc2ccc3scnc3c2s1 ZINC000934016588 664886934 /nfs/dbraw/zinc/88/69/34/664886934.db2.gz OCXOIGNCHLBKHP-UHFFFAOYSA-N 1 0 377.495 2.750 20 0 GFADRO C[C@H](Cc1cccnc1)[NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000934229875 664892937 /nfs/dbraw/zinc/89/29/37/664892937.db2.gz FKWJXUQWXYBIOO-MLGOLLRUSA-N 1 0 383.261 2.944 20 0 GFADRO C[C@H](C(=O)Nc1cccc(Cl)c1Cl)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000934259078 664894832 /nfs/dbraw/zinc/89/48/32/664894832.db2.gz DLLVHHBZKQYUAL-KCXAZCMYSA-N 1 0 386.323 2.851 20 0 GFADRO C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000934258632 664894843 /nfs/dbraw/zinc/89/48/43/664894843.db2.gz CGJYCNFDBNHREG-OAUYIBNBSA-N 1 0 386.323 2.851 20 0 GFADRO O=C(CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2CCO)Nc1c(Cl)cccc1Cl ZINC000934265804 664895611 /nfs/dbraw/zinc/89/56/11/664895611.db2.gz WKJGGECICWCLIJ-JKSUJKDBSA-N 1 0 386.323 2.853 20 0 GFADRO CCO[C@H](CC[NH+](C)C)CNC(=O)c1c(F)ccc(Br)c1C ZINC000934385530 664904933 /nfs/dbraw/zinc/90/49/33/664904933.db2.gz MBAJPICCMASVPB-GFCCVEGCSA-N 1 0 375.282 2.983 20 0 GFADRO CCO[C@@H](CC[NH+](C)C)CNC(=O)c1cc(F)cc(Br)c1F ZINC000934385785 664904979 /nfs/dbraw/zinc/90/49/79/664904979.db2.gz OSUJHZLQEHRBEK-NSHDSACASA-N 1 0 379.245 2.814 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCOC12CCOCC2)C(=O)Nc1cccc(Br)c1 ZINC000934409392 664906213 /nfs/dbraw/zinc/90/62/13/664906213.db2.gz VGMKMOYDRAKYGF-SWLSCSKDSA-N 1 0 383.286 2.704 20 0 GFADRO C[C@](CO)([NH2+]C[C@@H](O)CC1(CO)CCCC1)c1cccc(Br)c1 ZINC000934494973 664908558 /nfs/dbraw/zinc/90/85/58/664908558.db2.gz SYAYHVUDYCPBKW-DLBZAZTESA-N 1 0 386.330 2.550 20 0 GFADRO COC1(CC[NH2+][C@@H](CO)c2ccccc2I)CCC1 ZINC000934826226 664924447 /nfs/dbraw/zinc/92/44/47/664924447.db2.gz ABTNVGCNTRIEHE-AWEZNQCLSA-N 1 0 375.250 2.873 20 0 GFADRO C[C@H](Cc1cc(Br)ccc1F)NC(=O)COC1CC[NH+](C)CC1 ZINC000935081801 664938665 /nfs/dbraw/zinc/93/86/65/664938665.db2.gz ATXVUCNJEWQALM-GFCCVEGCSA-N 1 0 387.293 2.746 20 0 GFADRO C[NH+]1CCC([C@@H]2CCN(C(=O)c3cnn4cccc(Br)c34)C2)CC1 ZINC000935085161 664938883 /nfs/dbraw/zinc/93/88/83/664938883.db2.gz MXFZKXVCKZSMEP-CQSZACIVSA-N 1 0 391.313 2.901 20 0 GFADRO C[C@@H]1C[NH+](C)C[C@@H](C)N1C(=O)c1cc2ccc(Br)cc2c(=O)o1 ZINC000935089588 664939352 /nfs/dbraw/zinc/93/93/52/664939352.db2.gz KSIKERFWHNIXHJ-GHMZBOCLSA-N 1 0 379.254 2.720 20 0 GFADRO C[N@@H+]1CCCC12CCN(C(=O)[C@@](C)(O)c1ccc(F)c(Br)c1)CC2 ZINC000935219956 664946549 /nfs/dbraw/zinc/94/65/49/664946549.db2.gz UNOAXEYTKYBQHB-KRWDZBQOSA-N 1 0 399.304 2.883 20 0 GFADRO C[NH+]1CCC(OCC(=O)N2CCc3cc(Br)cc(F)c3C2)CC1 ZINC000935239964 664948088 /nfs/dbraw/zinc/94/80/88/664948088.db2.gz QBKDBCXLWPKPDJ-UHFFFAOYSA-N 1 0 385.277 2.584 20 0 GFADRO C[C@@H](NC(=O)C1(n2cc(Br)cn2)CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000935313826 664953133 /nfs/dbraw/zinc/95/31/33/664953133.db2.gz AGFZYRAAFGKLGJ-ZIAGYGMSSA-N 1 0 395.345 2.904 20 0 GFADRO CS[C@@H]1CN(C(=O)c2nc(C)ccc2Br)C[C@H]1[NH+]1CCCC1 ZINC000935368373 664957043 /nfs/dbraw/zinc/95/70/43/664957043.db2.gz QXOWKTQOGXELOQ-ZIAGYGMSSA-N 1 0 384.343 2.804 20 0 GFADRO CS(=O)(=O)c1ccc(CNC(=O)c2ccc(C[NH+]3CCCCC3)o2)s1 ZINC000935584465 664971582 /nfs/dbraw/zinc/97/15/82/664971582.db2.gz APJMSLQXJYWMMK-UHFFFAOYSA-N 1 0 382.507 2.661 20 0 GFADRO C[NH+](C)[C@@H]1CCOc2c(NC(=O)c3ncc(Br)cn3)cccc21 ZINC000935717838 664983815 /nfs/dbraw/zinc/98/38/15/664983815.db2.gz MYTUAJQRAVLSHD-CYBMUJFWSA-N 1 0 377.242 2.877 20 0 GFADRO O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cc(=O)[nH]cc1Br ZINC000935734190 664985178 /nfs/dbraw/zinc/98/51/78/664985178.db2.gz YQILJNCCFDZZPQ-CQSZACIVSA-N 1 0 390.281 2.802 20 0 GFADRO O=C(NCCn1cc(Br)cn1)c1ccc(C[NH+]2CCCCC2)o1 ZINC000935957308 665001268 /nfs/dbraw/zinc/00/12/68/665001268.db2.gz YUBGGGZRUQVISJ-UHFFFAOYSA-N 1 0 381.274 2.655 20 0 GFADRO CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCN1C(=O)c1cscc1Cl ZINC000984944551 665019308 /nfs/dbraw/zinc/01/93/08/665019308.db2.gz DMBGWLSMILEQRI-AVRGHOLYSA-N 1 0 383.945 2.851 20 0 GFADRO C[C@@H]1[C@H](C(=O)N2C[C@@H](CNC(=O)c3ccc(Cl)s3)[C@H](C)C2)CC[N@@H+]1C ZINC000994646646 665022939 /nfs/dbraw/zinc/02/29/39/665022939.db2.gz JGFNAZUEVZDZKA-AAVRWANBSA-N 1 0 383.945 2.566 20 0 GFADRO C[C@@H]1CCC[N@@H+]1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1sccc1Cl ZINC001000461109 665046571 /nfs/dbraw/zinc/04/65/71/665046571.db2.gz UUEGBTAMSLMKNM-UXOAXIEHSA-N 1 0 381.929 2.748 20 0 GFADRO C[C@@H]1CCC[N@@H+]1CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(Cl)cs1)C2 ZINC001002615571 665055965 /nfs/dbraw/zinc/05/59/65/665055965.db2.gz RSJWWXYPLBQIDU-NGFQHRJXSA-N 1 0 381.929 2.748 20 0 GFADRO C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccsc1Cl ZINC001003865122 665062438 /nfs/dbraw/zinc/06/24/38/665062438.db2.gz CRMDAMKODVGRED-REBRKWNGSA-N 1 0 381.929 2.748 20 0 GFADRO O=C([C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)N1CCCC[C@@H]1C[NH2+]Cc1cnc(Cl)s1 ZINC001025023352 665074581 /nfs/dbraw/zinc/07/45/81/665074581.db2.gz GLFCEQZUMGUBPP-BAGFCZJQSA-N 1 0 381.929 2.691 20 0 GFADRO O=C([C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC[C@H]1CC1(Cl)Cl ZINC001029397396 665075077 /nfs/dbraw/zinc/07/50/77/665075077.db2.gz IRWGSQJPNPZZGN-HOIQLOGISA-N 1 0 385.335 2.669 20 0 GFADRO Cc1c(Br)cccc1NC(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000120723999 677397599 /nfs/dbraw/zinc/39/75/99/677397599.db2.gz ABUVOPYKEKPFCK-CJNGLKHVSA-N 1 0 394.313 2.639 20 0 GFADRO COCC[N@H+]1[C@H](C)CN(C(=O)Cc2csc(-c3cccs3)n2)C[C@@H]1C ZINC000120882296 677398222 /nfs/dbraw/zinc/39/82/22/677398222.db2.gz YYKLUIFVCNOHJS-OKILXGFUSA-N 1 0 379.551 2.982 20 0 GFADRO O=C1[C@H]([NH2+][C@@H](CCO)c2ccc(Cl)c(Cl)c2)CCN1C1CCOCC1 ZINC000375743070 677405187 /nfs/dbraw/zinc/40/51/87/677405187.db2.gz MWZIEGSDIIYEKJ-DLBZAZTESA-N 1 0 387.307 2.786 20 0 GFADRO O=C1[C@H]([NH2+][C@H](CCO)c2ccc(Cl)c(Cl)c2)CCN1C1CCOCC1 ZINC000375743071 677405198 /nfs/dbraw/zinc/40/51/98/677405198.db2.gz MWZIEGSDIIYEKJ-IAGOWNOFSA-N 1 0 387.307 2.786 20 0 GFADRO Brc1c[nH]c(CNC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)n1 ZINC000390709971 677408824 /nfs/dbraw/zinc/40/88/24/677408824.db2.gz WKLRJWHRDMMITN-HNNXBMFYSA-N 1 0 379.302 2.553 20 0 GFADRO C[C@@H](CNS(=O)(=O)c1c(Cl)nc2sccn21)[N@H+](C)Cc1ccccc1 ZINC000390782394 677408865 /nfs/dbraw/zinc/40/88/65/677408865.db2.gz TXKSBNJRYVHAPA-LBPRGKRZSA-N 1 0 398.941 2.848 20 0 GFADRO [NH3+]C[C@@H]1CCCC[C@]12NC(=O)N(Cc1cccc(F)c1Br)C2=O ZINC000390966955 677409100 /nfs/dbraw/zinc/40/91/00/677409100.db2.gz HBJMTDGRLDDWQD-ZBEGNZNMSA-N 1 0 384.249 2.528 20 0 GFADRO Cn1ncc(C(=O)NC[C@]2(C)CCC[N@@H+]2Cc2ccccc2)c1Br ZINC000397988430 677411899 /nfs/dbraw/zinc/41/18/99/677411899.db2.gz LGJHXVXKKKVNPL-SFHVURJKSA-N 1 0 391.313 2.967 20 0 GFADRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)C3=Cc4cc(Br)ccc4OC3)C[C@@H]21 ZINC000579581633 677673427 /nfs/dbraw/zinc/67/34/27/677673427.db2.gz OUSSQIIFKVHVLY-KNXALSJPSA-N 1 0 377.282 2.811 20 0 GFADRO CCN(CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@@H]3[NH2+]CCO[C@@H]3C2)n1 ZINC001164389899 718824484 /nfs/dbraw/zinc/82/44/84/718824484.db2.gz KRFVFIKWMMYACR-JKSUJKDBSA-N 1 0 389.569 2.717 20 0 GFADRO FC(F)(c1cccc(-c2ccc(Cl)nn2)c1)N1CC[C@@H]2[NH2+]CCO[C@@H]2C1 ZINC001164390322 718825343 /nfs/dbraw/zinc/82/53/43/718825343.db2.gz NVYNMNZTZWQOBK-JKSUJKDBSA-N 1 0 380.826 2.909 20 0 GFADRO c1csc(-c2nc(-c3ccccc3)cc(N3CCN4CC[NH2+]C[C@H]4C3)n2)c1 ZINC001164406624 718841313 /nfs/dbraw/zinc/84/13/13/718841313.db2.gz RWYDAPFRJUQHMO-KRWDZBQOSA-N 1 0 377.517 2.966 20 0 GFADRO Clc1cccc(-c2nc3c(c(N4CCN5CC[NH2+]C[C@@H]5C4)n2)CCCC3)c1 ZINC001164401752 718841439 /nfs/dbraw/zinc/84/14/39/718841439.db2.gz AGAFKDBTSDTDHS-QGZVFWFLSA-N 1 0 383.927 2.770 20 0 GFADRO Cc1cccc(-c2cc(C(F)(F)N3C[C@@H]4C[NH2+]C[C@]4(CO)C3)c(Cl)nn2)c1 ZINC001164401584 718854720 /nfs/dbraw/zinc/85/47/20/718854720.db2.gz CBYOHWFMDVRUQG-KBXCAEBGSA-N 1 0 394.853 2.668 20 0 GFADRO FC(F)(c1cc(Cl)ncc1Cl)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001164415353 718884953 /nfs/dbraw/zinc/88/49/53/718884953.db2.gz GXOYTAPCGFNHEA-UHFFFAOYSA-N 1 0 389.237 2.624 20 0 GFADRO CS(=O)(=O)c1cc(C(F)(F)N2CCCCC23CC[NH2+]CC3)cnc1Cl ZINC001164421058 718912560 /nfs/dbraw/zinc/91/25/60/718912560.db2.gz OEYPXOWWQHPZKP-UHFFFAOYSA-N 1 0 393.887 2.796 20 0 GFADRO FC(F)(c1ccc(Cl)nc1Cl)N1CCCO[C@]2(C[NH2+]CCOC2)C1 ZINC001164421077 718912830 /nfs/dbraw/zinc/91/28/30/718912830.db2.gz OISWZUFWXRJESN-CQSZACIVSA-N 1 0 382.238 2.519 20 0 GFADRO FC(F)(c1nc2[nH]cnc2c(Cl)n1)N1C[C@H]2c3ccccc3C[NH2+][C@@H]2C1 ZINC001164423574 718946129 /nfs/dbraw/zinc/94/61/29/718946129.db2.gz IHVKJMNBBSDMHQ-NWDGAFQWSA-N 1 0 376.798 2.578 20 0 GFADRO CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@H]2N1C(F)(F)c1cc(Cl)ncc1Cl ZINC001164614136 719012471 /nfs/dbraw/zinc/01/24/71/719012471.db2.gz CRMFHXWMZIANOI-JFUSQASVSA-N 1 0 380.222 2.663 20 0 GFADRO CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@H]2N1C(F)(F)c1cnc(Cl)c(C2CC2)c1 ZINC001164614977 719020023 /nfs/dbraw/zinc/02/00/23/719020023.db2.gz HAFVQYIHCORKEK-BYCMXARLSA-N 1 0 385.842 2.887 20 0 GFADRO CCS(=O)(=O)c1cc(C(F)(F)N2CCC(C3C[NH2+]C3)CC2)cnc1Cl ZINC001164615821 719038238 /nfs/dbraw/zinc/03/82/38/719038238.db2.gz PICSGTVOLZGLQW-UHFFFAOYSA-N 1 0 393.887 2.509 20 0 GFADRO Cc1cc2c(ncnc2N2C[C@@H](C)[N@@H+](C)C[C@H]2C)n1S(=O)(=O)c1ccccc1 ZINC001164642395 719172685 /nfs/dbraw/zinc/17/26/85/719172685.db2.gz YDAOMYNLIIFLOM-HZPDHXFCSA-N 1 0 399.520 2.506 20 0 GFADRO COc1ccc(Cn2cc3[nH]c(N4C[C@@H](C)[N@H+](C)C[C@@H]4C)ccc-3c2=O)cc1 ZINC001164638314 719231278 /nfs/dbraw/zinc/23/12/78/719231278.db2.gz OCIIAZSQTQQVDR-CVEARBPZSA-N 1 0 380.492 2.775 20 0 GFADRO COc1ccc(Cn2cc3[nH]c(N4C[C@H](C)[N@H+](C)C[C@H]4C)ccc-3c2=O)cc1 ZINC001164638321 719231450 /nfs/dbraw/zinc/23/14/50/719231450.db2.gz OCIIAZSQTQQVDR-JKSUJKDBSA-N 1 0 380.492 2.775 20 0 GFADRO COc1ccccc1-c1ccc(-n2nc(CN(C)C(C)C)c3c2C[NH2+]CC3)nn1 ZINC001164679793 719641190 /nfs/dbraw/zinc/64/11/90/719641190.db2.gz NDSKJVUBYNIFDR-UHFFFAOYSA-N 1 0 392.507 2.824 20 0 GFADRO CNC(=O)C[N@@H+]1CCCC12CCN(C(F)(F)c1ccc(F)c(Cl)n1)CC2 ZINC001164683844 719703517 /nfs/dbraw/zinc/70/35/17/719703517.db2.gz LBSCBVZIDRYXJI-UHFFFAOYSA-N 1 0 390.837 2.600 20 0 GFADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1cc3nc(Cl)cnc3cc1F)CC2 ZINC001164689565 719743985 /nfs/dbraw/zinc/74/39/85/719743985.db2.gz IANSRXNBWJQVLZ-UHFFFAOYSA-N 1 0 391.878 2.603 20 0 GFADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1nc(C(C)C)nc(Cl)c1C)CC2 ZINC001164690101 719752794 /nfs/dbraw/zinc/75/27/94/719752794.db2.gz SMUYVWXWHBEHPV-UHFFFAOYSA-N 1 0 379.936 2.743 20 0 GFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1ccnc(Cl)n1)C2 ZINC001164811391 720064736 /nfs/dbraw/zinc/06/47/36/720064736.db2.gz OFSHTHSPHWZTMH-PBHICJAKSA-N 1 0 386.874 2.860 20 0 GFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1cc(Cl)ncn1)C2 ZINC001164810426 720065819 /nfs/dbraw/zinc/06/58/19/720065819.db2.gz LZDJQWNMSQSXCF-RHSMWYFYSA-N 1 0 386.874 2.860 20 0 GFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(Cl)nc3[nH]ccc31)C2 ZINC001164809746 720067623 /nfs/dbraw/zinc/06/76/23/720067623.db2.gz JVNFAAWWPVDIKI-IFXJQAMLSA-N 1 0 375.904 2.796 20 0 GFADRO CCc1cnc(N2CCC3(C[C@H](COC)[N@H+](Cc4ccccn4)C3)CC2)nc1 ZINC001164711654 720095749 /nfs/dbraw/zinc/09/57/49/720095749.db2.gz SDJJCVRVHXMYDA-HXUWFJFHSA-N 1 0 381.524 2.942 20 0 GFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ccc3c(C(=O)OC)c[nH]c3n1)C2 ZINC001164812189 720096545 /nfs/dbraw/zinc/09/65/45/720096545.db2.gz PULKLWZVLYATHC-ZHRRBRCNSA-N 1 0 398.507 2.534 20 0 GFADRO CCOc1nc(Cl)cc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COC)n1 ZINC001164809213 720098230 /nfs/dbraw/zinc/09/82/30/720098230.db2.gz IYIDDIHUTSEDFA-DNVCBOLYSA-N 1 0 380.920 2.713 20 0 GFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(C)cc(C)c1C(=O)OC)C2 ZINC001164811628 720112576 /nfs/dbraw/zinc/11/25/76/720112576.db2.gz NAGYNQAAFVGYAV-XMSQKQJNSA-N 1 0 387.524 2.670 20 0 GFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ncnc3cc(OC)ccc31)C2 ZINC001164814355 720116110 /nfs/dbraw/zinc/11/61/10/720116110.db2.gz RXUNYUHSHMMUKQ-VGSWGCGISA-N 1 0 382.508 2.823 20 0 GFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nccc(N3CCCCC3)n1)C2 ZINC001164809071 720139689 /nfs/dbraw/zinc/13/96/89/720139689.db2.gz GQLFEXYUHAFZKT-SIKLNZKXSA-N 1 0 385.556 2.652 20 0 GFADRO CCOC(=O)/C=C\c1ccc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COC)nc1 ZINC001164811082 720140387 /nfs/dbraw/zinc/14/03/87/720140387.db2.gz LGYWCNWPAASJDG-GCXLVRSWSA-N 1 0 399.535 2.843 20 0 GFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cc(C(=O)N3CCCC3)ccn1)C2 ZINC001164816520 720145975 /nfs/dbraw/zinc/14/59/75/720145975.db2.gz ZUMALRDSWGLDMR-REWPJTCUSA-N 1 0 398.551 2.502 20 0 GFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cc(N3CCCCC3)ncn1)C2 ZINC001164818706 720165174 /nfs/dbraw/zinc/16/51/74/720165174.db2.gz UGKSNNCBBFUUIC-KNQAVFIVSA-N 1 0 385.556 2.652 20 0 GFADRO COc1ccc(Cl)nc1N1CCCn2c(=O)cc(C[N@H+](C)C(C)C)nc2C1 ZINC001164814721 720225880 /nfs/dbraw/zinc/22/58/80/720225880.db2.gz WQVQBZXQABLIAF-UHFFFAOYSA-N 1 0 391.903 2.551 20 0 GFADRO COc1ccnc(Cl)c1N1CCCn2c(=O)cc(C[N@H+](C)C(C)C)nc2C1 ZINC001164817149 720242318 /nfs/dbraw/zinc/24/23/18/720242318.db2.gz PKYDXHZYXASIOD-UHFFFAOYSA-N 1 0 391.903 2.551 20 0 GFADRO CCc1ncnc(Cl)c1N1CC[C@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164821330 720299377 /nfs/dbraw/zinc/29/93/77/720299377.db2.gz JYKYNMUKFNYVMN-SJORKVTESA-N 1 0 391.947 2.604 20 0 GFADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2nc(Cl)ccc2F)CC1 ZINC001164826527 720303367 /nfs/dbraw/zinc/30/33/67/720303367.db2.gz VLWYKGCSMTVOSJ-HZPDHXFCSA-N 1 0 380.895 2.786 20 0 GFADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2nc(Cl)ccc2F)CC1 ZINC001164826521 720303618 /nfs/dbraw/zinc/30/36/18/720303618.db2.gz VLWYKGCSMTVOSJ-CVEARBPZSA-N 1 0 380.895 2.786 20 0 GFADRO Cc1cc(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc2[nH]ccc21 ZINC001164825443 720328352 /nfs/dbraw/zinc/32/83/52/720328352.db2.gz FDEUKGQLISVOJV-RBUKOAKNSA-N 1 0 381.524 2.783 20 0 GFADRO CCOC(=O)c1cnc(Cl)nc1N1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164726044 720333680 /nfs/dbraw/zinc/33/36/80/720333680.db2.gz PJRUOXYDQNVPMO-CVEARBPZSA-N 1 0 387.871 2.555 20 0 GFADRO O=C(c1ccnc(N2CC[C@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)c1)N1CCCC1 ZINC001164727613 720413830 /nfs/dbraw/zinc/41/38/30/720413830.db2.gz DSSMCGGUYLRBFR-PMACEKPBSA-N 1 0 377.492 2.566 20 0 GFADRO CCOC(=O)c1cccnc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164837898 720511399 /nfs/dbraw/zinc/51/13/99/720511399.db2.gz QMJUNSMCXGTZHE-NLWGTHIKSA-N 1 0 397.523 2.833 20 0 GFADRO CC(C)[N@H+]1[C@@H]2CCN(c3nc(Cl)nc(Cl)n3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164837123 720524108 /nfs/dbraw/zinc/52/41/08/720524108.db2.gz NQRURZFAQJMFHQ-MELADBBJSA-N 1 0 396.326 2.753 20 0 GFADRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(c2nccc(Oc3ccc(F)cc3)n2)C1 ZINC001164735142 720527757 /nfs/dbraw/zinc/52/77/57/720527757.db2.gz UXPHWJNPNCHDAZ-OAHLLOKOSA-N 1 0 382.443 2.803 20 0 GFADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3cccc(Cl)[n+]3[O-])CC[C@@H]21 ZINC001164835453 720531049 /nfs/dbraw/zinc/53/10/49/720531049.db2.gz HJNIRCSACUQUEX-IKGGRYGDSA-N 1 0 375.904 2.548 20 0 GFADRO COCOc1ccc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)nc1 ZINC001164842082 720549333 /nfs/dbraw/zinc/54/93/33/720549333.db2.gz WIWPPRHDEJHPQE-NLWGTHIKSA-N 1 0 385.512 2.639 20 0 GFADRO Clc1nc2cccnc2c(N2CCc3ncc(C[NH+]4CCCC4)n3CC2)n1 ZINC001164733714 720555702 /nfs/dbraw/zinc/55/57/02/720555702.db2.gz QDCVODGKYPPJRS-UHFFFAOYSA-N 1 0 383.887 2.533 20 0 GFADRO COC(=O)c1cc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)ncc1C ZINC001164840865 720559021 /nfs/dbraw/zinc/55/90/21/720559021.db2.gz UGYWHBGLIIAIRK-WSTZPKSXSA-N 1 0 397.523 2.751 20 0 GFADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3cc(OCC4CC4)ncn3)CC[C@@H]21 ZINC001164834571 720559920 /nfs/dbraw/zinc/55/99/20/720559920.db2.gz DYYHPOUDGDWSNU-AABGKKOBSA-N 1 0 396.539 2.840 20 0 GFADRO CC(C)Oc1cncc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)n1 ZINC001164844125 720611858 /nfs/dbraw/zinc/61/18/58/720611858.db2.gz YWHBURDHJWLOCK-GBESFXJTSA-N 1 0 384.528 2.838 20 0 GFADRO COC(=O)c1nccnc1N1CCC2(C[C@H]([N@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164840547 720670447 /nfs/dbraw/zinc/67/04/47/720670447.db2.gz NIQCBYMFERNBKR-SFHVURJKSA-N 1 0 396.491 2.523 20 0 GFADRO CSc1cc(Cl)ncc1N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001164741472 720677413 /nfs/dbraw/zinc/67/74/13/720677413.db2.gz TXYXWPNKVHXTDI-STQMWFEESA-N 1 0 377.901 2.589 20 0 GFADRO Cc1ccc(-c2ccc(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)nn2)cc1 ZINC001164739924 720756796 /nfs/dbraw/zinc/75/67/96/720756796.db2.gz JTWCXRLQDKBPRU-RBUKOAKNSA-N 1 0 388.475 2.584 20 0 GFADRO COc1cc2ccnc(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)c2cc1F ZINC001164745489 720802482 /nfs/dbraw/zinc/80/24/82/720802482.db2.gz KPOBWKYLJWTHAY-HZPDHXFCSA-N 1 0 395.438 2.514 20 0 GFADRO COC[C@]12CCCO[C@H]1CCN(c1cccc(OCC[NH+]3CCCC3)n1)C2 ZINC001164846002 720827271 /nfs/dbraw/zinc/82/72/71/720827271.db2.gz CIRTXKCGQIVQIP-GHTZIAJQSA-N 1 0 375.513 2.578 20 0 GFADRO CC(C)c1cncnc1N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164743841 720828407 /nfs/dbraw/zinc/82/84/07/720828407.db2.gz SUNBFPKJJAGFJS-QWFCFKBJSA-N 1 0 381.528 2.571 20 0 GFADRO COCC[N@@H+]1CCO[C@H]2CN(c3nc(Cl)nc4ccc(F)cc43)CC[C@H]2C1 ZINC001164855516 720838270 /nfs/dbraw/zinc/83/82/70/720838270.db2.gz UEJMKRQGKUCRPT-GUYCJALGSA-N 1 0 394.878 2.596 20 0 GFADRO COCC[N@@H+]1CCO[C@@H]2CN(C(F)(F)c3ccc(F)c(Cl)n3)CC[C@H]2C1 ZINC001164850274 720839011 /nfs/dbraw/zinc/83/90/11/720839011.db2.gz FCICQKYEODCKMT-GXTWGEPZSA-N 1 0 393.837 2.593 20 0 GFADRO COCC[N@@H+]1CCO[C@@H]2CN(c3nc(Cl)nc4c(F)cccc43)CC[C@H]2C1 ZINC001164853734 720850673 /nfs/dbraw/zinc/85/06/73/720850673.db2.gz OTZYFZLIACGCDM-XJKSGUPXSA-N 1 0 394.878 2.596 20 0 GFADRO COCC[N@@H+]1CCO[C@@H]2CN(c3cc(C)c4ccc(OC)cc4n3)CC[C@H]2C1 ZINC001164853571 720863601 /nfs/dbraw/zinc/86/36/01/720863601.db2.gz HNLVWOTVFXUBLC-LAUBAEHRSA-N 1 0 385.508 2.725 20 0 GFADRO CCc1ccc(-c2ccc(N3CC[C@@H]4C[N@H+](CCOC)CCO[C@H]4C3)nn2)cc1 ZINC001164865299 720881438 /nfs/dbraw/zinc/88/14/38/720881438.db2.gz ZWTKCGIBEWODLW-IRLDBZIGSA-N 1 0 396.535 2.880 20 0 GFADRO c1ncn2c1CN(c1ccc(C[NH+]3CCCC3)cn1)C[C@@H](COCC1CC1)C2 ZINC001164756360 720980510 /nfs/dbraw/zinc/98/05/10/720980510.db2.gz HCFFDYDRPAJYCG-HXUWFJFHSA-N 1 0 381.524 2.937 20 0 GFADRO CC(C)[N@H+](C)Cc1cnc2n1CCN([C@@H](F)Oc1ccc(Cl)nn1)[C@H]2C ZINC001164863644 721022361 /nfs/dbraw/zinc/02/23/61/721022361.db2.gz UNRUWMGLWDZACG-YVEFUNNKSA-N 1 0 382.871 2.875 20 0 GFADRO Cc1ccc(C[NH+]2CCC3(CCN(c4cncc(C(N)=O)n4)CC3)CC2)cc1 ZINC001164758863 721043394 /nfs/dbraw/zinc/04/33/94/721043394.db2.gz CNEMTRHJJJQHNZ-UHFFFAOYSA-N 1 0 379.508 2.767 20 0 GFADRO FC(F)(c1ccc(Cl)nn1)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164870960 721060755 /nfs/dbraw/zinc/06/07/55/721060755.db2.gz XPIWCUZXKNJSAB-HUUCEWRRSA-N 1 0 395.841 2.550 20 0 GFADRO FC(F)(c1cnc(Cl)nc1)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164870003 721061230 /nfs/dbraw/zinc/06/12/30/721061230.db2.gz VDPYQOHECGYJKL-HOTGVXAUSA-N 1 0 395.841 2.550 20 0 GFADRO CC(C)(C)Oc1ccnc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164865797 721093515 /nfs/dbraw/zinc/09/35/15/721093515.db2.gz POMXDHISWDWTKK-ZWKOTPCHSA-N 1 0 383.496 2.529 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4nccc(Oc5ccccc5)n4)C[C@H]3C2)cn1 ZINC001164767637 721098230 /nfs/dbraw/zinc/09/82/30/721098230.db2.gz MOMRRTWSEYFZNE-RBUKOAKNSA-N 1 0 390.491 2.961 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4nc5ccccc5nc4Cl)C[C@@H]3C2)cn1 ZINC001164767319 721110395 /nfs/dbraw/zinc/11/03/95/721110395.db2.gz MTBPHNYROWTNIH-CVEARBPZSA-N 1 0 382.899 2.975 20 0 GFADRO Cc1cc2ncnc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)c2s1 ZINC001164879084 721125495 /nfs/dbraw/zinc/12/54/95/721125495.db2.gz RQGZGPDHTRHSKS-IAGOWNOFSA-N 1 0 381.505 2.874 20 0 GFADRO FC(F)(c1nccnc1Cl)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164873623 721129551 /nfs/dbraw/zinc/12/95/51/721129551.db2.gz JITUMOWQKPZCBV-CABCVRRESA-N 1 0 395.841 2.550 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4nncc5cc(Cl)ccc54)C[C@@H]3C2)cn1 ZINC001164773624 721142380 /nfs/dbraw/zinc/14/23/80/721142380.db2.gz YNEHUUOUQXAERN-WBVHZDCISA-N 1 0 382.899 2.975 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4ccc5c(Cl)ccnc5n4)C[C@@H]3C2)cn1 ZINC001164772731 721154414 /nfs/dbraw/zinc/15/44/14/721154414.db2.gz VSADOLFIRCUJQK-HOTGVXAUSA-N 1 0 382.899 2.975 20 0 GFADRO CCCN(CCC)c1cc(N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)ncn1 ZINC001164771436 721170115 /nfs/dbraw/zinc/17/01/15/721170115.db2.gz PRZCRQYINXNBMS-VQTJNVASSA-N 1 0 397.571 2.795 20 0 GFADRO CC(C)OC(=O)c1cccnc1N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164880742 721181425 /nfs/dbraw/zinc/18/14/25/721181425.db2.gz XLKLZQXXMXQKLB-MOPGFXCFSA-N 1 0 396.491 2.522 20 0 GFADRO CCc1nc2sccc2c(N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@H]3C2)n1 ZINC001164763400 721226860 /nfs/dbraw/zinc/22/68/60/721226860.db2.gz FTTRWQLKSBZCGL-HOTGVXAUSA-N 1 0 382.537 2.946 20 0 GFADRO CCN1C(C)=N[C@@]2(CC[C@@H]3CN(c4ccc(C[NH+]5CCCC5)cn4)C[C@H]32)C1=O ZINC001164874742 721232221 /nfs/dbraw/zinc/23/22/21/721232221.db2.gz SYXPEPPMSVQJFD-WOIUINJBSA-N 1 0 381.524 2.543 20 0 GFADRO CCOC(Cc1c(Cl)ncnc1N1CC2(C1)CC[N@H+](CC1CC1)C2)OCC ZINC001164773137 721289878 /nfs/dbraw/zinc/28/98/78/721289878.db2.gz NRAUHXLYORPZCP-UHFFFAOYSA-N 1 0 394.947 2.994 20 0 GFADRO Cc1nc(N2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)ccc1Cl ZINC001164883518 721403439 /nfs/dbraw/zinc/40/34/39/721403439.db2.gz ALOPDCIKGKABTA-YLJYHZDGSA-N 1 0 378.948 2.809 20 0 GFADRO Cc1nc(N2CC[C@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)nc2ccccc12 ZINC001164883705 721406084 /nfs/dbraw/zinc/40/60/84/721406084.db2.gz BWXFZZCGCMPRKM-CVDCTZTESA-N 1 0 395.551 2.704 20 0 GFADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4ncc5cc(F)ccc5n4)C3)O2)CC1 ZINC001164893786 721425948 /nfs/dbraw/zinc/42/59/48/721425948.db2.gz KLETXTOVGBCCQR-KNQAVFIVSA-N 1 0 399.514 2.534 20 0 GFADRO COc1ccnc(Cl)c1N1CC[C@]2(C1)CCC[C@@H](C[NH+]1CCN(C)CC1)O2 ZINC001164895436 721444275 /nfs/dbraw/zinc/44/42/75/721444275.db2.gz PBDOGUWCEBIFOM-JXFKEZNVSA-N 1 0 394.947 2.509 20 0 GFADRO Cc1nc(CN2CC[C@]3(CCCN(c4cc(C[NH+](C)C)ccn4)C3)C2=O)cs1 ZINC001164887768 721462133 /nfs/dbraw/zinc/46/21/33/721462133.db2.gz JZIIBLGLHRKUND-NRFANRHFSA-N 1 0 399.564 2.927 20 0 GFADRO CCc1cc(N2CCC3(C[C@H](COCC4CC4)[N@H+](CCOC)C3)CC2)ncn1 ZINC001164791204 721467828 /nfs/dbraw/zinc/46/78/28/721467828.db2.gz VFCLKTFWQPCPAA-HXUWFJFHSA-N 1 0 388.556 2.773 20 0 GFADRO COC(=O)c1ccc(C)nc1N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164901400 721515891 /nfs/dbraw/zinc/51/58/91/721515891.db2.gz WZMNNJPOJKQAKZ-FUHWJXTLSA-N 1 0 385.439 2.658 20 0 GFADRO Fc1cccc(O[C@@H]2C[C@H]3CN(c4nc(Cl)nc5c4COC5)CC[N@@H+]3C2)c1 ZINC001164901043 721524176 /nfs/dbraw/zinc/52/41/76/721524176.db2.gz WEUGUKYFLJQNCG-DZGCQCFKSA-N 1 0 390.846 2.641 20 0 GFADRO CCOC(=O)c1ccnc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)c1 ZINC001164804431 721530049 /nfs/dbraw/zinc/53/00/49/721530049.db2.gz JQXMJJXHZAVCGP-SVFBPWRDSA-N 1 0 396.491 2.522 20 0 GFADRO Cc1noc(-c2cccnc2N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)n1 ZINC001164903148 721554597 /nfs/dbraw/zinc/55/45/97/721554597.db2.gz BAJVOMPDIZJPLU-SJLPKXTDSA-N 1 0 395.438 2.921 20 0 GFADRO Cc1nc2ccc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@H]43)nc2n1C ZINC001164802210 721554563 /nfs/dbraw/zinc/55/45/63/721554563.db2.gz HRJOMEUAXRYPDY-SVFBPWRDSA-N 1 0 392.507 2.540 20 0 GFADRO CCCNC(=O)c1ccc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)nc1 ZINC001164906438 721555416 /nfs/dbraw/zinc/55/54/16/721555416.db2.gz JDVBKSDFCWHVCT-AZUAARDMSA-N 1 0 398.482 2.702 20 0 GFADRO Cc1cccc(-c2ccc(N3CCCC34CC[NH+](CC(=O)N(C)C)CC4)nn2)c1 ZINC001165009751 721744911 /nfs/dbraw/zinc/74/49/11/721744911.db2.gz IKSJOZJQOPPLQV-UHFFFAOYSA-N 1 0 393.535 2.975 20 0 GFADRO C[N@H+](Cc1ccc(N2CC[C@]3(C[C@H](Oc4cccnc4)CO3)C2)nc1)C1CC1 ZINC001164917402 721807160 /nfs/dbraw/zinc/80/71/60/721807160.db2.gz WGFNWGXCQHRCHQ-UNMCSNQZSA-N 1 0 380.492 2.888 20 0 GFADRO COC(=O)c1cc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)ncc1N ZINC001165026909 721807195 /nfs/dbraw/zinc/80/71/95/721807195.db2.gz SEEOAEXYGMJAIJ-QKYXUNIQSA-N 1 0 395.507 2.582 20 0 GFADRO CCOC(=O)c1cncc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)n1 ZINC001165019759 721810660 /nfs/dbraw/zinc/81/06/60/721810660.db2.gz BQLOIMYSDQAYMH-QRFRQXIXSA-N 1 0 395.507 2.785 20 0 GFADRO C[NH+](C)Cc1ccnc(N2CCO[C@@H]3[C@@H](COCc4nccs4)CC[C@H]32)c1 ZINC001164915936 721811044 /nfs/dbraw/zinc/81/10/44/721811044.db2.gz DTLXLDHDBFVDMV-MBOZVWFJSA-N 1 0 388.537 2.800 20 0 GFADRO COC(=O)c1ccc(NC(=O)C(C)(C)C)c(N2CC[NH+](C3CCCC3)CC2)n1 ZINC001165031653 721858725 /nfs/dbraw/zinc/85/87/25/721858725.db2.gz GYKMZCUFFJRROQ-UHFFFAOYSA-N 1 0 388.512 2.917 20 0 GFADRO C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2C(F)(F)Cc1nc(Cl)cc(Cl)n1 ZINC001164926322 721875330 /nfs/dbraw/zinc/87/53/30/721875330.db2.gz RIXCYYIATCQJIV-VXGBXAGGSA-N 1 0 394.297 2.629 20 0 GFADRO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2c1ccnc(CSc2ccccc2)n1 ZINC001164932029 721887915 /nfs/dbraw/zinc/88/79/15/721887915.db2.gz HLPGLDUWIRNWFI-RBUKOAKNSA-N 1 0 383.565 2.984 20 0 GFADRO CN1C(=O)CC[C@@H]2[C@@H]1CCN2c1ccc2c(n1)CC[N@@H+](Cc1ccccc1)C2 ZINC001164932740 721891780 /nfs/dbraw/zinc/89/17/80/721891780.db2.gz IBNVZBNISLRGFO-LEWJYISDSA-N 1 0 376.504 2.839 20 0 GFADRO CCS(=O)(=O)c1cc(C(F)(F)N2CCC[C@@H]([NH+](C)C)C2)cnc1Cl ZINC001165036533 721899860 /nfs/dbraw/zinc/89/98/60/721899860.db2.gz GXZAYUXRCXPRMO-GFCCVEGCSA-N 1 0 381.876 2.604 20 0 GFADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4ccnc5ccnn54)CC3)C2)cc1 ZINC001164940350 721919846 /nfs/dbraw/zinc/91/98/46/721919846.db2.gz ZKDVMRHFCGYSTD-UHFFFAOYSA-N 1 0 377.492 2.909 20 0 GFADRO C[NH+](C)CC1CCN(c2nccc(-c3cnc(N4CCCCC4)nc3)n2)CC1 ZINC001165042440 721946729 /nfs/dbraw/zinc/94/67/29/721946729.db2.gz RHGYTCLEUQOHHX-UHFFFAOYSA-N 1 0 381.528 2.702 20 0 GFADRO CCS(=O)(=O)c1cc(C(F)(F)N2CCC(C[NH+](C)C)CC2)cnc1Cl ZINC001165041972 721951597 /nfs/dbraw/zinc/95/15/97/721951597.db2.gz FMYCSIPXYJYVDV-UHFFFAOYSA-N 1 0 395.903 2.852 20 0 GFADRO Cc1nc2c(nc(Cl)nc2N2CC[NH+](CCOc3ccccc3)CC2)n1C ZINC001165044458 721959017 /nfs/dbraw/zinc/95/90/17/721959017.db2.gz LYBXVEMJISXUBB-UHFFFAOYSA-N 1 0 386.887 2.526 20 0 GFADRO C(C[NH+]1CCCC1)[C@H]1CCCCN1c1nc(N2CCCC2)nc(N2CCCC2)n1 ZINC001165050474 721975387 /nfs/dbraw/zinc/97/53/87/721975387.db2.gz YKYDAAHIDKLEBB-LJQANCHMSA-N 1 0 399.587 2.917 20 0 GFADRO COC(=O)c1ccc2nc(N3CC[NH+](CCc4ccccn4)CC3)ccc2c1 ZINC001165053237 722011763 /nfs/dbraw/zinc/01/17/63/722011763.db2.gz CJAGHMWVJSAPJM-UHFFFAOYSA-N 1 0 376.460 2.781 20 0 GFADRO CCOC(=O)c1ccc(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)nn1 ZINC001164952811 722014120 /nfs/dbraw/zinc/01/41/20/722014120.db2.gz BZPRKXZNKVABNG-UHFFFAOYSA-N 1 0 381.480 2.541 20 0 GFADRO c1cncc(C[N@@H+]2CCO[C@@H]3CN(c4ccc5cccnc5n4)CC[C@H]3C2)c1 ZINC001164970881 722112918 /nfs/dbraw/zinc/11/29/18/722112918.db2.gz AHKASJIEWWFQMJ-VQTJNVASSA-N 1 0 375.476 2.752 20 0 GFADRO Cc1[nH]c2ncnc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)c2c1C ZINC001164977535 722120346 /nfs/dbraw/zinc/12/03/46/722120346.db2.gz NLXWIGTZPDMBIQ-OALUTQOASA-N 1 0 392.507 2.697 20 0 GFADRO c1nc2c(ccnc2N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)s1 ZINC001164977458 722122472 /nfs/dbraw/zinc/12/24/72/722122472.db2.gz NGWLGJCJDXSFEB-SJORKVTESA-N 1 0 381.505 2.814 20 0 GFADRO c1cncc(C[N@@H+]2CCO[C@@H]3CN(c4nccc5cnccc54)CC[C@H]3C2)c1 ZINC001164970992 722129153 /nfs/dbraw/zinc/12/91/53/722129153.db2.gz BAQZGPDKJFCVLO-PZJWPPBQSA-N 1 0 375.476 2.752 20 0 GFADRO CSc1cnc(Cl)c(N2CCCn3cnc(COCC[NH+](C)C)c3C2)n1 ZINC001165001596 722255556 /nfs/dbraw/zinc/25/55/56/722255556.db2.gz CHAAMFUSWSPTMQ-UHFFFAOYSA-N 1 0 396.948 2.537 20 0 GFADRO C[NH+](C)CCOCCNC(=O)Nc1nnc(SCc2ccccc2)s1 ZINC000473497710 531255857 /nfs/dbraw/zinc/25/58/57/531255857.db2.gz LRVJPLYOTQAEDZ-UHFFFAOYSA-N 1 0 381.527 2.530 20 0 GFADRO [NH3+][C@H]1CCCN(S(=O)(=O)c2ccc(Br)c(C(F)(F)F)c2)C1 ZINC000390822697 563523668 /nfs/dbraw/zinc/52/36/68/563523668.db2.gz GZHBIPMTIMOABC-QMMMGPOBSA-N 1 0 387.221 2.580 20 0 GFADRO C[C@H]1C[C@@H]([NH3+])CN1C(=O)Nc1ccc(-c2ccc(Br)s2)nn1 ZINC000632940974 532651387 /nfs/dbraw/zinc/65/13/87/532651387.db2.gz FFSULBXSJAGYHI-DTWKUNHWSA-N 1 0 382.287 2.921 20 0 GFADRO CCCOc1c(Br)cc(C[NH2+]CC(=O)NCC(F)F)cc1OC ZINC000393708277 563529153 /nfs/dbraw/zinc/52/91/53/563529153.db2.gz ZBVFDDKCJMFMMH-UHFFFAOYSA-N 1 0 395.244 2.717 20 0 GFADRO CO[C@@H]1[C@@H](C)[C@H](NC(=O)c2ccc(C[NH+]3CCC(CO)CC3)cc2)C12CCC2 ZINC000359995272 209210999 /nfs/dbraw/zinc/21/09/99/209210999.db2.gz CTPZAKBVKSDAER-ORYQWCPZSA-N 1 0 386.536 2.824 20 0 GFADRO CC[C@@H](C)c1ccccc1OCC(=O)N1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000359960712 209207984 /nfs/dbraw/zinc/20/79/84/209207984.db2.gz PPHPVTLASCWTAW-APWZRJJASA-N 1 0 387.524 2.520 20 0 GFADRO Cc1noc(-c2ccccc2C(=O)N2CCC(C)(C[NH+]3CCN(C)CC3)CC2)n1 ZINC000359960379 209207584 /nfs/dbraw/zinc/20/75/84/209207584.db2.gz OSIOOBFUWSBMMN-UHFFFAOYSA-N 1 0 397.523 2.535 20 0 GFADRO CN1CC[NH+](CC2(C)CCN(C(=O)c3cnc(-c4ccco4)s3)CC2)CC1 ZINC000359955911 209207704 /nfs/dbraw/zinc/20/77/04/209207704.db2.gz CTFLGYPECRZANO-UHFFFAOYSA-N 1 0 388.537 2.893 20 0 GFADRO CO[C@H](CNC(=O)N(C)C1CC[NH+](C2CCOCC2)CC1)c1ccccc1 ZINC000359940077 209205843 /nfs/dbraw/zinc/20/58/43/209205843.db2.gz DKZFVEJSGYWPJV-HXUWFJFHSA-N 1 0 375.513 2.659 20 0 GFADRO CCN(C(=O)[C@H](C)[NH+]1CCC(NC(=O)C2CCOCC2)CC1)C1CCCCC1 ZINC000359926628 209203053 /nfs/dbraw/zinc/20/30/53/209203053.db2.gz IGARSFXSKJWSDE-KRWDZBQOSA-N 1 0 393.572 2.563 20 0 GFADRO O=C(CCc1nc(-c2ccoc2)no1)Nc1cnn(CC[NH+]2CCCCC2)c1 ZINC000359899640 209201865 /nfs/dbraw/zinc/20/18/65/209201865.db2.gz OSNWZIWPPFYMOH-UHFFFAOYSA-N 1 0 384.440 2.583 20 0 GFADRO O=C(C[NH2+]C1CCN(CCC(F)(F)F)CC1)N1CCc2sccc2C1 ZINC000359902658 209201544 /nfs/dbraw/zinc/20/15/44/209201544.db2.gz STOGATRXIJGVAX-UHFFFAOYSA-N 1 0 375.460 2.639 20 0 GFADRO Cc1cc(N2CC[C@@H]([n+]3ccc(N(C)C)cc3)C2=O)ccc1Br ZINC000359865280 209196240 /nfs/dbraw/zinc/19/62/40/209196240.db2.gz GBGPLRYAVSSFBD-QGZVFWFLSA-N 1 0 375.290 2.569 20 0 GFADRO COc1ccc(CCNC(=O)[C@H](C)[N@@H+]2CC[C@@H](Cc3ccncc3)C2)cc1OC ZINC000359864861 209194681 /nfs/dbraw/zinc/19/46/81/209194681.db2.gz DSPLKBFZFHDXNQ-PXNSSMCTSA-N 1 0 397.519 2.711 20 0 GFADRO COc1cccc([C@@H](NS(=O)(=O)c2cc(F)cc(F)c2)c2nccn2C)c1 ZINC000010519218 209189578 /nfs/dbraw/zinc/18/95/78/209189578.db2.gz FLPIYLCJYUDKRE-QGZVFWFLSA-N 1 0 393.415 2.775 20 0 GFADRO CC(C)N(C)C(=O)C1CC[NH+]([C@H](C)C(=O)N2CCc3sccc3C2)CC1 ZINC000075704291 211126797 /nfs/dbraw/zinc/12/67/97/211126797.db2.gz JIZPKVNEKMJKTO-OAHLLOKOSA-N 1 0 377.554 2.600 20 0 GFADRO C[C@@H]1C[C@@H](C)N(CCS(=O)(=O)c2ccc(Br)cc2)C[C@@H]1C[NH3+] ZINC000397389849 563531938 /nfs/dbraw/zinc/53/19/38/563531938.db2.gz XGOSTEHBBPVNRX-MCIONIFRSA-N 1 0 389.359 2.528 20 0 GFADRO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1cnc2c(c1)NC(=O)CS2 ZINC000077971981 222294906 /nfs/dbraw/zinc/29/49/06/222294906.db2.gz GFEOQUOXHODKEE-UHFFFAOYSA-N 1 0 382.489 2.520 20 0 GFADRO Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C[NH+](C)C)c(Br)c1 ZINC000405187180 563537565 /nfs/dbraw/zinc/53/75/65/563537565.db2.gz LWLONLLXTBZQHM-CYBMUJFWSA-N 1 0 375.332 2.862 20 0 GFADRO O=C1CC[C@@H]([NH2+]Cc2cc(Cl)ccc2I)CCN1 ZINC000405297139 563539026 /nfs/dbraw/zinc/53/90/26/563539026.db2.gz LJMUOOHWABAFKZ-LLVKDONJSA-N 1 0 378.641 2.703 20 0 GFADRO CCCC[N@H+](CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1)C1CC1 ZINC000026450451 551121217 /nfs/dbraw/zinc/12/12/17/551121217.db2.gz IAXPODPSJHQULQ-UHFFFAOYSA-N 1 0 387.933 2.793 20 0 GFADRO O=S(=O)(NC[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(Br)cc1Cl ZINC000040433561 551134211 /nfs/dbraw/zinc/13/42/11/551134211.db2.gz DSXIJKWNAZABPO-SNVBAGLBSA-N 1 0 393.734 2.865 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)CCNC(=O)Nc1ccc(Br)cc1 ZINC000044286067 551143426 /nfs/dbraw/zinc/14/34/26/551143426.db2.gz YSBQFQUYQNTWSU-OAHLLOKOSA-N 1 0 397.317 2.561 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)Nc1ccccc1SCC(N)=O)c1ccsc1 ZINC000045695439 551147128 /nfs/dbraw/zinc/14/71/28/551147128.db2.gz SSPZEDIYEISFNH-CQSZACIVSA-N 1 0 378.523 2.750 20 0 GFADRO CC(C)[NH+]1CCN([C@H](C)C(=O)N(C)Cc2ccc(Br)cc2)CC1 ZINC000045779719 551147692 /nfs/dbraw/zinc/14/76/92/551147692.db2.gz JRHDPSPPJHSCIN-OAHLLOKOSA-N 1 0 382.346 2.822 20 0 GFADRO Cc1csc(N2CCN(C(=O)NC[C@H](c3ccsc3)[NH+](C)C)CC2)n1 ZINC000046346956 551150149 /nfs/dbraw/zinc/15/01/49/551150149.db2.gz VPJWVAYLJBJUOK-OAHLLOKOSA-N 1 0 379.555 2.648 20 0 GFADRO CC(=O)NCC1CC[NH+](C[C@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000047773386 551153768 /nfs/dbraw/zinc/15/37/68/551153768.db2.gz SMJDZLXSUVXCKZ-AWEZNQCLSA-N 1 0 375.296 2.581 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)c(C)c1C(=O)NC[C@H](C)[NH+](C)C ZINC000056892127 551178530 /nfs/dbraw/zinc/17/85/30/551178530.db2.gz BNBQRCIFRXJFEK-NSHDSACASA-N 1 0 379.302 2.932 20 0 GFADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)CCn1cccn1 ZINC000056996961 551179263 /nfs/dbraw/zinc/17/92/63/551179263.db2.gz IALSXSBOLCJVDM-UHFFFAOYSA-N 1 0 379.302 2.626 20 0 GFADRO COCCNC(=O)[C@H]1CC[C@H](C)[N@H+](Cc2ccc(F)cc2Br)C1 ZINC000064994516 551185128 /nfs/dbraw/zinc/18/51/28/551185128.db2.gz JZXKQILBNABGPT-JSGCOSHPSA-N 1 0 387.293 2.951 20 0 GFADRO COc1sc(CN2CC[C@@H](C[NH+]3CCOCC3)C2)cc1Br ZINC000093664209 551195758 /nfs/dbraw/zinc/19/57/58/551195758.db2.gz UNKNIZHIUKNTCZ-LBPRGKRZSA-N 1 0 375.332 2.673 20 0 GFADRO C[C@@H]1C[NH+](CCCNC(=O)NCc2ccc(Br)cc2)C[C@@H](C)O1 ZINC000106524670 551200201 /nfs/dbraw/zinc/20/02/01/551200201.db2.gz XOWYHAOKEPYQJF-ZIAGYGMSSA-N 1 0 384.318 2.748 20 0 GFADRO NC(=O)c1ccc(C(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)s1 ZINC000116413801 551213129 /nfs/dbraw/zinc/21/31/29/551213129.db2.gz YJAVFSPZZDOUAA-UHFFFAOYSA-N 1 0 377.897 2.895 20 0 GFADRO COc1ccccc1N1CC[C@H]([NH2+][C@@H](C)Cn2cc(Br)cn2)C1 ZINC000119671083 551218559 /nfs/dbraw/zinc/21/85/59/551218559.db2.gz OSZYXTNRNWIWCT-ZFWWWQNUSA-N 1 0 379.302 2.911 20 0 GFADRO Cc1cccc(NC(=O)C(=O)N2CCC([NH+]3CCCC3)CC2)c1Br ZINC000120959066 551223650 /nfs/dbraw/zinc/22/36/50/551223650.db2.gz GZGLAWYSVRJXHR-UHFFFAOYSA-N 1 0 394.313 2.783 20 0 GFADRO O=C(NCC[NH2+]Cc1ccc2c(c1)OCCO2)c1ccc(Br)cc1 ZINC000121149406 551228366 /nfs/dbraw/zinc/22/83/66/551228366.db2.gz OZICDRBYCKEEPS-UHFFFAOYSA-N 1 0 391.265 2.740 20 0 GFADRO Cc1c(I)cccc1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000121191761 551229226 /nfs/dbraw/zinc/22/92/26/551229226.db2.gz YQWCYZPZUWWEDG-OLZOCXBDSA-N 1 0 384.261 2.908 20 0 GFADRO CC[C@@H](CCc1ccc(Br)cc1)[NH2+]CCCNS(C)(=O)=O ZINC000121203433 551229657 /nfs/dbraw/zinc/22/96/57/551229657.db2.gz QNKCTZDLJWGWMI-HNNXBMFYSA-N 1 0 377.348 2.689 20 0 GFADRO C[N@H+](Cc1cc(Br)ccc1Cl)C1CCN(S(C)(=O)=O)CC1 ZINC000121284997 551231194 /nfs/dbraw/zinc/23/11/94/551231194.db2.gz CKJZCYOODBONKM-UHFFFAOYSA-N 1 0 395.750 2.958 20 0 GFADRO COc1cc(Br)c(CNc2cnn(CC[NH+](C)C)c2)c(OC)c1 ZINC000121504268 551235702 /nfs/dbraw/zinc/23/57/02/551235702.db2.gz ZQBAIDSKVOENEL-UHFFFAOYSA-N 1 0 383.290 2.837 20 0 GFADRO C[NH+](C)CCN(Cc1ccccn1)C(=O)COc1ccccc1Br ZINC000121684008 551239880 /nfs/dbraw/zinc/23/98/80/551239880.db2.gz LXCFPAIVLGYUAP-UHFFFAOYSA-N 1 0 392.297 2.813 20 0 GFADRO C[C@@H](CNC(=O)c1cc(I)c(F)cc1F)[N@H+](C)C1CC1 ZINC000122208883 551295795 /nfs/dbraw/zinc/29/57/95/551295795.db2.gz GPXPBUFGMZVAJZ-QMMMGPOBSA-N 1 0 394.203 2.782 20 0 GFADRO O=S(=O)(NCC[NH2+]Cc1c[nH]nc1-c1cccc(Cl)c1)c1cccs1 ZINC000122263346 551296551 /nfs/dbraw/zinc/29/65/51/551296551.db2.gz VEGMCXWXYDZUEJ-UHFFFAOYSA-N 1 0 396.925 2.860 20 0 GFADRO C[N@@H+]1CCC[C@H]2CN(S(=O)(=O)c3ccc(F)c(C(F)(F)F)c3)CC[C@@H]21 ZINC000122471313 551298215 /nfs/dbraw/zinc/29/82/15/551298215.db2.gz DFBPLFDXZMCZPB-NHYWBVRUSA-N 1 0 380.407 2.949 20 0 GFADRO C[C@H](NC(=O)[C@H]1CCC[NH2+]C1)c1nc(-c2ccc(Br)cc2)no1 ZINC000122561693 551299917 /nfs/dbraw/zinc/29/99/17/551299917.db2.gz SREDCAGYHIUAGQ-JQWIXIFHSA-N 1 0 379.258 2.676 20 0 GFADRO C[C@@H]1C[C@H](N(C)C(=O)Cc2cc3c(cc2Br)OCCO3)CC[N@@H+]1C ZINC000123110078 551303026 /nfs/dbraw/zinc/30/30/26/551303026.db2.gz PQIYLXLJPWQNIG-TZMCWYRMSA-N 1 0 397.313 2.704 20 0 GFADRO Cc1cc(NC(=O)C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)ccc1Br ZINC000123344278 551305571 /nfs/dbraw/zinc/30/55/71/551305571.db2.gz QDAJNDMVBYHFJY-CQSZACIVSA-N 1 0 394.313 2.640 20 0 GFADRO O=C(C[N@H+](C[C@@H]1CCCO1)[C@@H]1CCSC1)NCCc1ccc(Cl)cc1 ZINC000123673101 551308294 /nfs/dbraw/zinc/30/82/94/551308294.db2.gz JJCIBPNMJOFSOS-MSOLQXFVSA-N 1 0 382.957 2.985 20 0 GFADRO Cc1ccc(NC(=O)C(=O)NCC[NH+]2CCCCCC2)c(Br)c1 ZINC000123889453 551309864 /nfs/dbraw/zinc/30/98/64/551309864.db2.gz ZSEBCVIAPQACKG-UHFFFAOYSA-N 1 0 382.302 2.688 20 0 GFADRO C[C@H](Cn1cc(Br)cn1)[NH2+]Cc1ccc(N2CCOC2=O)cc1 ZINC000127004180 551335591 /nfs/dbraw/zinc/33/55/91/551335591.db2.gz ZICIQAPKYWWFDD-GFCCVEGCSA-N 1 0 379.258 2.781 20 0 GFADRO C[C@H]1C[C@H](NC(=O)NCc2cc3c(c(Br)c2)OCO3)C[N@@H+]1C1CC1 ZINC000127453026 551340901 /nfs/dbraw/zinc/34/09/01/551340901.db2.gz KEVVYKVIBONMCK-JQWIXIFHSA-N 1 0 396.285 2.602 20 0 GFADRO C[C@@H](CCS(C)(=O)=O)[NH2+]C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000127462398 551341085 /nfs/dbraw/zinc/34/10/85/551341085.db2.gz QCNRDORYVFZJMV-ZDUSSCGKSA-N 1 0 376.925 2.856 20 0 GFADRO Cc1ccc(S(=O)(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)cc1Cl ZINC000127450522 551341132 /nfs/dbraw/zinc/34/11/32/551341132.db2.gz ZICCWNARRAJDLN-QZTJIDSGSA-N 1 0 386.945 2.695 20 0 GFADRO [NH3+][C@@H]1CCCC[C@H]1NC(=O)CCC[S@](=O)c1ccc(Br)cc1 ZINC000128812883 551352689 /nfs/dbraw/zinc/35/26/89/551352689.db2.gz FASURGAQCONKHR-DOQJBMMISA-N 1 0 387.343 2.723 20 0 GFADRO C[NH+]1CCC(CNC(=O)c2ccc(S(=O)(=O)c3ccccc3)s2)CC1 ZINC000129330659 551356040 /nfs/dbraw/zinc/35/60/40/551356040.db2.gz KXOKNBGTTZRVAV-UHFFFAOYSA-N 1 0 378.519 2.653 20 0 GFADRO C[NH+](C)C[C@@H]1CCN(C(=O)N[C@H]2CCN(c3ccccc3Br)C2)C1 ZINC000129973901 551360855 /nfs/dbraw/zinc/36/08/55/551360855.db2.gz APUUTRSNJNLEGT-GJZGRUSLSA-N 1 0 395.345 2.621 20 0 GFADRO C[C@H](Sc1nc2ccccc2s1)C(=O)NCCC[NH+]1CCC(O)CC1 ZINC000130629427 551367128 /nfs/dbraw/zinc/36/71/28/551367128.db2.gz RIKDGARVKKMBEB-ZDUSSCGKSA-N 1 0 379.551 2.740 20 0 GFADRO [NH3+]C[C@H]1CC[C@H](NC(=O)Nc2cc(F)c(I)c(F)c2)C1 ZINC000415118805 563759743 /nfs/dbraw/zinc/75/97/43/563759743.db2.gz JWBPNFQJVFLARC-YUMQZZPRSA-N 1 0 395.191 2.818 20 0 GFADRO Cn1nncc1C[NH2+]CCOc1ccc(Br)cc1C(F)(F)F ZINC000132831938 551379210 /nfs/dbraw/zinc/37/92/10/551379210.db2.gz LZDLAHSCEFDTJH-UHFFFAOYSA-N 1 0 379.180 2.765 20 0 GFADRO CC(C)C[N@H+](CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl)CC(C)(C)C ZINC000134453224 551385752 /nfs/dbraw/zinc/38/57/52/551385752.db2.gz YDDQHAGNXRVBSK-UHFFFAOYSA-N 1 0 389.949 2.930 20 0 GFADRO CCC[NH+]1CCC(N(C)C(=O)c2ccc(Cl)c(NS(C)(=O)=O)c2)CC1 ZINC000140793070 551393935 /nfs/dbraw/zinc/39/39/35/551393935.db2.gz NSMSLXFGIHAZAH-UHFFFAOYSA-N 1 0 387.933 2.658 20 0 GFADRO C[C@@H]1C[N@@H+](CCCNC(=O)NCCc2ccccc2Br)C[C@H](C)O1 ZINC000145346255 551396285 /nfs/dbraw/zinc/39/62/85/551396285.db2.gz IETKLCPOMARSJB-GASCZTMLSA-N 1 0 398.345 2.790 20 0 GFADRO CC(=O)Nc1nc(C(=O)NCC2CC[NH+](Cc3cccs3)CC2)cs1 ZINC000145722688 551397007 /nfs/dbraw/zinc/39/70/07/551397007.db2.gz VLLFBSSCNCJLNK-UHFFFAOYSA-N 1 0 378.523 2.805 20 0 GFADRO CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)C[C@@H]1CCC[NH2+]1 ZINC000150712274 551400451 /nfs/dbraw/zinc/40/04/51/551400451.db2.gz SGZDVTAMMKVMLO-JTQLQIEISA-N 1 0 377.794 2.898 20 0 GFADRO Cc1cc(Br)oc1C(=O)Nc1cc(C(N)=O)ccc1C[NH+](C)C ZINC000150853038 551402611 /nfs/dbraw/zinc/40/26/11/551402611.db2.gz BNRQDFFMSFZJRU-UHFFFAOYSA-N 1 0 380.242 2.763 20 0 GFADRO Cn1nc(Br)c2c1ncnc2N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000150886416 551403475 /nfs/dbraw/zinc/40/34/75/551403475.db2.gz HBGNVLIBRLETEF-GFCCVEGCSA-N 1 0 379.306 2.581 20 0 GFADRO CN(Cc1c(F)cccc1Cl)S(=O)(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000151628608 551418312 /nfs/dbraw/zinc/41/83/12/551418312.db2.gz AOJJNNYDSHUCQR-CQSZACIVSA-N 1 0 389.924 2.573 20 0 GFADRO COc1cc([C@@H](C)[NH2+][C@H](C)Cn2cc(Br)cn2)ccc1OCCO ZINC000151672980 551419120 /nfs/dbraw/zinc/41/91/20/551419120.db2.gz VSOQYJNQSBFASS-CHWSQXEVSA-N 1 0 398.301 2.765 20 0 GFADRO C[C@@H]([NH2+]CCCOCC(F)(F)F)c1cccc(N2CCCS2(=O)=O)c1 ZINC000151823663 551422116 /nfs/dbraw/zinc/42/21/16/551422116.db2.gz VMEXEDZDQIQAIQ-CYBMUJFWSA-N 1 0 380.432 2.846 20 0 GFADRO O=C(Cc1c[nH]c2cc(Br)ccc12)NCCCC[NH+]1CCOCC1 ZINC000151949849 551423488 /nfs/dbraw/zinc/42/34/88/551423488.db2.gz OHNVQGLYYNZZHF-UHFFFAOYSA-N 1 0 394.313 2.702 20 0 GFADRO C[NH+]1CCC(CCNC(=O)Nc2ccc(NS(C)(=O)=O)c(Cl)c2)CC1 ZINC000152149491 551427330 /nfs/dbraw/zinc/42/73/30/551427330.db2.gz KMUPFWILVABGEA-UHFFFAOYSA-N 1 0 388.921 2.565 20 0 GFADRO CC(C)C(=O)NC[C@@H]1CCC[N@H+](C[C@H](O)c2ccccc2Br)C1 ZINC000152156769 551427649 /nfs/dbraw/zinc/42/76/49/551427649.db2.gz DZDNUJWGZJUUAY-YOEHRIQHSA-N 1 0 383.330 2.967 20 0 GFADRO C[NH2+]CC1CCN(C(=O)c2cc(-c3ccc(Br)cc3)n[nH]2)CC1 ZINC000152236229 551428964 /nfs/dbraw/zinc/42/89/64/551428964.db2.gz BKZZAVIYBBBJIU-UHFFFAOYSA-N 1 0 377.286 2.911 20 0 GFADRO C[C@@H](O)C[C@H]1CCC[N@@H+]1CC(=O)N(C)Cc1cc(Br)cs1 ZINC000152647329 551437649 /nfs/dbraw/zinc/43/76/49/551437649.db2.gz JLOLSQMMJJUCGY-DGCLKSJQSA-N 1 0 375.332 2.704 20 0 GFADRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2S(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)C1 ZINC000152924271 551442890 /nfs/dbraw/zinc/44/28/90/551442890.db2.gz VKIAPCHBDPKBRI-IAQYHMDHSA-N 1 0 380.407 2.949 20 0 GFADRO C[N@H+](CCCO)C1CCN(C(=O)NCCSc2ccc(Cl)cc2)CC1 ZINC000153039826 551445450 /nfs/dbraw/zinc/44/54/50/551445450.db2.gz LIIGSRHFGCZUFN-UHFFFAOYSA-N 1 0 385.961 2.920 20 0 GFADRO C[C@@H]1CN(C(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)C[C@H](C)[NH2+]1 ZINC000153223665 551448544 /nfs/dbraw/zinc/44/85/44/551448544.db2.gz WCYAIZKBDZNIQD-OZVIIMIRSA-N 1 0 384.307 2.807 20 0 GFADRO C[C@@H]([NH2+]C1CCN(S(=O)(=O)c2cnn(C)c2)CC1)c1cccc(Cl)c1 ZINC000153627883 551457072 /nfs/dbraw/zinc/45/70/72/551457072.db2.gz OCKWVKYZHQDUAT-CYBMUJFWSA-N 1 0 382.917 2.577 20 0 GFADRO NC(=O)CC1CC[NH+](Cc2ccnc(-c3ccc(Br)cc3)n2)CC1 ZINC000153744897 551460228 /nfs/dbraw/zinc/46/02/28/551460228.db2.gz GBBSKMYLGYFOOE-UHFFFAOYSA-N 1 0 389.297 2.994 20 0 GFADRO COC[C@@H](O)CC[NH2+]Cc1cc(Br)ccc1OCc1ccccn1 ZINC000153781537 551460458 /nfs/dbraw/zinc/46/04/58/551460458.db2.gz CYNQMVMZCAMSRF-KRWDZBQOSA-N 1 0 395.297 2.910 20 0 GFADRO O=S(=O)(Cc1ccc(F)c(Cl)c1)NC1CCN(c2ccccn2)CC1 ZINC000154247198 551470354 /nfs/dbraw/zinc/47/03/54/551470354.db2.gz BEVYWMVCCHCZLQ-UHFFFAOYSA-N 1 0 383.876 2.963 20 0 GFADRO C[C@@H](COc1ccc2cc(Br)ccc2c1)[NH2+]C[C@H](O)CN(C)C ZINC000154270204 551470858 /nfs/dbraw/zinc/47/08/58/551470858.db2.gz UCHQHMKTQWSRAT-GUYCJALGSA-N 1 0 381.314 2.882 20 0 GFADRO CC[NH+](CC)[C@@H]1CCN(S(=O)(=O)c2ccc(Br)cc2F)C1 ZINC000154526581 551477178 /nfs/dbraw/zinc/47/71/78/551477178.db2.gz ZZFRNHXQEQAEDO-GFCCVEGCSA-N 1 0 379.295 2.693 20 0 GFADRO COC1CC[NH+](CCNC(=O)c2ccc(Cl)cc2Br)CC1 ZINC000154561675 551477767 /nfs/dbraw/zinc/47/77/67/551477767.db2.gz FUIDKRCWXNUULV-UHFFFAOYSA-N 1 0 375.694 2.943 20 0 GFADRO C[C@@](C[NH3+])(NC(=O)c1ccc(I)cc1Cl)C1CC1 ZINC000154865794 551484702 /nfs/dbraw/zinc/48/47/02/551484702.db2.gz BIKLPJRZGOQUJD-ZDUSSCGKSA-N 1 0 378.641 2.802 20 0 GFADRO C[N@H+](CC(=O)NCC1(c2ccc(Cl)cc2)CCOCC1)[C@@H]1CCSC1 ZINC000154922117 551485858 /nfs/dbraw/zinc/48/58/58/551485858.db2.gz COGYBBIEWDYHOU-QGZVFWFLSA-N 1 0 382.957 2.942 20 0 GFADRO CCOc1cc(Br)ccc1NC(=O)N[C@@H](C)CN1CC[NH+](C)CC1 ZINC000154932848 551486186 /nfs/dbraw/zinc/48/61/86/551486186.db2.gz OKZINHVAKQJJEI-ZDUSSCGKSA-N 1 0 399.333 2.605 20 0 GFADRO [NH3+][C@H]1CC[C@H](C(=O)NCC2(c3ccc(Br)cc3)CCOCC2)C1 ZINC000155146340 551492533 /nfs/dbraw/zinc/49/25/33/551492533.db2.gz KDIQXEMPJWBCEF-BBRMVZONSA-N 1 0 381.314 2.741 20 0 GFADRO O=C(C[C@@H]1CCC[NH2+]1)NCC1(c2ccc(Br)cc2)CCOCC1 ZINC000155148316 551492735 /nfs/dbraw/zinc/49/27/35/551492735.db2.gz DWKVRHUEHMELLF-INIZCTEOSA-N 1 0 381.314 2.756 20 0 GFADRO C[C@H](CC(=O)N(C)C)[NH2+]CC1(c2ccc(Br)cc2)CCOCC1 ZINC000155259212 551495861 /nfs/dbraw/zinc/49/58/61/551495861.db2.gz LSYISDIOSCNRRU-CQSZACIVSA-N 1 0 383.330 2.954 20 0 GFADRO C[C@@H](Cn1cc(Br)cn1)[NH2+]Cc1cccc(N2CCCC2=O)c1 ZINC000155287093 551496561 /nfs/dbraw/zinc/49/65/61/551496561.db2.gz LHLOMQBXOLODMJ-ZDUSSCGKSA-N 1 0 377.286 2.951 20 0 GFADRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)CNC(=O)c2ccc(Cl)cc2Cl)C1 ZINC000155393249 551498929 /nfs/dbraw/zinc/49/89/29/551498929.db2.gz WKUKNNWHSRKUDO-WBMJQRKESA-N 1 0 384.307 2.666 20 0 GFADRO Cc1ccc(C(=O)NCCCC[NH+]2C[C@H](C)O[C@@H](C)C2)c(Br)n1 ZINC000155461450 551500484 /nfs/dbraw/zinc/50/04/84/551500484.db2.gz ITLUSOKKALWFOK-KBPBESRZSA-N 1 0 384.318 2.772 20 0 GFADRO Cc1ncc(C(=O)NCc2ccnc(OCC[NH+](C)C)c2)c(Cl)c1Cl ZINC000155633498 551504593 /nfs/dbraw/zinc/50/45/93/551504593.db2.gz KEZBRGYXJNDMNT-UHFFFAOYSA-N 1 0 383.279 2.962 20 0 GFADRO C[NH+]1CCN(Cc2ccc(C(=O)Nc3cncc(Br)c3)cc2)CC1 ZINC000155974700 551512245 /nfs/dbraw/zinc/51/22/45/551512245.db2.gz XFVZOTKXOVJTJP-UHFFFAOYSA-N 1 0 389.297 2.844 20 0 GFADRO C[C@H](Cc1ccc(Br)cc1)C(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000156182914 551516405 /nfs/dbraw/zinc/51/64/05/551516405.db2.gz SPSJWSALDPJFRD-WBVHZDCISA-N 1 0 395.341 2.808 20 0 GFADRO CSC[C@](C)(O)CNC(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000156248826 551518238 /nfs/dbraw/zinc/51/82/38/551518238.db2.gz LXIPYQSGVMYRKS-SJLPKXTDSA-N 1 0 385.961 2.890 20 0 GFADRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1ccc(F)c(I)c1 ZINC000156285668 551519502 /nfs/dbraw/zinc/51/95/02/551519502.db2.gz WZTAWXWQZLXJCD-YGRLFVJLSA-N 1 0 390.240 2.843 20 0 GFADRO C[N@@H+]1CCCN(C(=O)c2cc(I)ccc2Cl)CC1 ZINC000156324473 551520040 /nfs/dbraw/zinc/52/00/40/551520040.db2.gz ZEQAQBAKINOORI-UHFFFAOYSA-N 1 0 378.641 2.722 20 0 GFADRO Cn1ncc2c1CCC[C@@H]2[NH2+]CCCNC(=O)c1ccc(Br)cc1 ZINC000156427251 551522307 /nfs/dbraw/zinc/52/23/07/551522307.db2.gz BECPDTPWCIBKMU-INIZCTEOSA-N 1 0 391.313 2.970 20 0 GFADRO CC(=O)N1CC[C@H](C[N@@H+](C)CC(=O)N(C)Cc2cc(Cl)cc(Cl)c2)C1 ZINC000156440530 551523136 /nfs/dbraw/zinc/52/31/36/551523136.db2.gz HFNPRMUAKOXOHE-CQSZACIVSA-N 1 0 386.323 2.752 20 0 GFADRO C[C@H](CNC(=O)C[N@H+](C)[C@@H]1CCSC1)Oc1ccccc1Br ZINC000156800803 551528728 /nfs/dbraw/zinc/52/87/28/551528728.db2.gz DVAPUNXYLGLZIB-CHWSQXEVSA-N 1 0 387.343 2.770 20 0 GFADRO Cc1sc(C(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)cc1CS(C)(=O)=O ZINC000156977602 551531575 /nfs/dbraw/zinc/53/15/75/551531575.db2.gz DTYCQMBCRFGXFT-MRXNPFEDSA-N 1 0 384.567 2.692 20 0 GFADRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+]C[C@@](C)(O)c2ccccc2Cl)cc1 ZINC000157557562 551539175 /nfs/dbraw/zinc/53/91/75/551539175.db2.gz VQIGRFVJJCUBOS-SCLBCKFNSA-N 1 0 382.913 2.806 20 0 GFADRO O=C(Nc1ccccc1Br)C1CCN(C(=O)[C@@H]2CCC[NH2+]C2)CC1 ZINC000157667195 551540907 /nfs/dbraw/zinc/54/09/07/551540907.db2.gz JWYGYQIXABKOAD-CQSZACIVSA-N 1 0 394.313 2.626 20 0 GFADRO Cc1cc(C(=O)N[C@@H]2CCC[C@@H]2C[NH3+])nn1-c1ccc(Br)cc1 ZINC000157948577 551544889 /nfs/dbraw/zinc/54/48/89/551544889.db2.gz DWYGIOQXGVPMQE-IUODEOHRSA-N 1 0 377.286 2.800 20 0 GFADRO CC(C)[C@H](CNC(=O)[C@@H](C)c1ccc(Br)cc1)[NH+]1CCN(C)CC1 ZINC000158557618 551553746 /nfs/dbraw/zinc/55/37/46/551553746.db2.gz IKHPUFGUTBYXGA-YJBOKZPZSA-N 1 0 396.373 2.941 20 0 GFADRO C[C@H](Cn1cc(Br)cn1)[NH2+]C[C@H]1CN(Cc2ccccc2)CCO1 ZINC000158705485 551555601 /nfs/dbraw/zinc/55/56/01/551555601.db2.gz BGRUNOJWPWKQMY-QAPCUYQASA-N 1 0 393.329 2.525 20 0 GFADRO C[C@H]([NH2+]C[C@H](O)COc1ccc(I)cc1)c1ccccn1 ZINC000158967629 551559425 /nfs/dbraw/zinc/55/94/25/551559425.db2.gz PEDPPCOIACBYKL-JSGCOSHPSA-N 1 0 398.244 2.777 20 0 GFADRO C[NH+](C)C(C)(C)CNC(=O)C1(c2ccc(Br)cc2)CCOCC1 ZINC000159080258 551560792 /nfs/dbraw/zinc/56/07/92/551560792.db2.gz PEVPFHRDUWEWBW-UHFFFAOYSA-N 1 0 383.330 2.954 20 0 GFADRO Cc1nn(Cc2cccc(Br)c2)c(C)c1C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000159164129 551561515 /nfs/dbraw/zinc/56/15/15/551561515.db2.gz XGVHEMWLFDFWGO-INIZCTEOSA-N 1 0 391.313 2.778 20 0 GFADRO C[NH+]1CCC(NC(=O)c2cc(I)ccc2Cl)CC1 ZINC000159322614 551563530 /nfs/dbraw/zinc/56/35/30/551563530.db2.gz NPPSRUKAGDNBCT-UHFFFAOYSA-N 1 0 378.641 2.769 20 0 GFADRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)COc1ccc(I)cc1 ZINC000162051615 551603024 /nfs/dbraw/zinc/60/30/24/551603024.db2.gz CDDDKOFTGYXHRW-AWEZNQCLSA-N 1 0 390.265 2.502 20 0 GFADRO Cn1nc(Br)c2c1ncnc2N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000161878498 551599914 /nfs/dbraw/zinc/59/99/14/551599914.db2.gz SJXQZHPPHASCSK-DGCLKSJQSA-N 1 0 391.317 2.579 20 0 GFADRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)[C@H]1CCN(c2ccccc2Br)C1=O ZINC000162084794 551603114 /nfs/dbraw/zinc/60/31/14/551603114.db2.gz RLIXUEUYQCVGHE-HIFRSBDPSA-N 1 0 396.329 2.634 20 0 GFADRO C[NH+](C)C1(CNS(=O)(=O)c2ccc(Br)cc2F)CCCC1 ZINC000162075944 551603155 /nfs/dbraw/zinc/60/31/55/551603155.db2.gz LCWGDHDKSPNRIW-UHFFFAOYSA-N 1 0 379.295 2.741 20 0 GFADRO Cc1ccc(NC(=O)C(=O)N(CC[NH+](C)C)CC(C)C)c(Br)c1 ZINC000162799266 551613357 /nfs/dbraw/zinc/61/33/57/551613357.db2.gz DYZZJIQDXFKRQQ-UHFFFAOYSA-N 1 0 384.318 2.742 20 0 GFADRO CC[S@@](=O)[C@@H]1CCC[C@H]([NH2+][C@@H](C)c2ccc(S(C)(=O)=O)c(OC)c2)C1 ZINC000162907618 551614158 /nfs/dbraw/zinc/61/41/58/551614158.db2.gz CUNPGZUGKJIKSJ-GDSLZEFTSA-N 1 0 387.567 2.829 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CN(C(=O)CCc2cc(Cl)ccc2Br)CCO1 ZINC000163099566 551616030 /nfs/dbraw/zinc/61/60/30/551616030.db2.gz KICRTEMWQDZFHR-QMTHXVAHSA-N 1 0 375.694 2.610 20 0 GFADRO CCCC[N@H+](C)CCNC(=O)N(C)[C@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000163234596 551617710 /nfs/dbraw/zinc/61/77/10/551617710.db2.gz FTPSONBQWKSLTL-HNNXBMFYSA-N 1 0 387.933 2.542 20 0 GFADRO COCCN1CCC[C@@H]1C[NH2+][C@H](C)CC(=O)Nc1cccc(Br)c1 ZINC000163277551 551618437 /nfs/dbraw/zinc/61/84/37/551618437.db2.gz IWFVFZAZTTZKOE-RHSMWYFYSA-N 1 0 398.345 2.867 20 0 GFADRO Cc1nn(C)cc1C[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000163345658 551618956 /nfs/dbraw/zinc/61/89/56/551618956.db2.gz XQJLGJJIZXQLHF-UHFFFAOYSA-N 1 0 379.302 2.617 20 0 GFADRO C[C@H](CCNC(=O)c1csc(S(C)(=O)=O)c1)[N@H+](C)Cc1ccccc1 ZINC000164468703 551625589 /nfs/dbraw/zinc/62/55/89/551625589.db2.gz LJXQGAGIISTWAS-CQSZACIVSA-N 1 0 380.535 2.792 20 0 GFADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)CCCc1ccccc1Br ZINC000164642658 551626614 /nfs/dbraw/zinc/62/66/14/551626614.db2.gz IBJFPMRRJDXOQP-OAHLLOKOSA-N 1 0 382.346 2.524 20 0 GFADRO C[C@@H](CO[C@@H]1CCOC1)[NH2+][C@@H](C)CC(=O)Nc1cccc(Br)c1 ZINC000166384993 551632087 /nfs/dbraw/zinc/63/20/87/551632087.db2.gz BQSXIMNBDHFZFR-HEHGZKQESA-N 1 0 385.302 2.950 20 0 GFADRO COCCCN(C)CC[NH2+][C@H](C)c1ccc(I)cc1 ZINC000166825257 551632556 /nfs/dbraw/zinc/63/25/56/551632556.db2.gz FJGYKIAXOQGKCS-CYBMUJFWSA-N 1 0 376.282 2.910 20 0 GFADRO COCCC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000170708893 551638253 /nfs/dbraw/zinc/63/82/53/551638253.db2.gz QAEYFHPRNPOXTL-UHFFFAOYSA-N 1 0 388.295 2.549 20 0 GFADRO CO[C@H]1CCC[N@H+](C[C@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000170817618 551640537 /nfs/dbraw/zinc/64/05/37/551640537.db2.gz PDRZZJGWHRBMKL-STQMWFEESA-N 1 0 378.694 2.953 20 0 GFADRO O=C(c1ccn(-c2cccc(Br)c2)n1)N1CCC[N@@H+](C2CC2)CC1 ZINC000170944457 551643464 /nfs/dbraw/zinc/64/34/64/551643464.db2.gz VZRVSCLFMPMDML-UHFFFAOYSA-N 1 0 389.297 2.945 20 0 GFADRO C[C@H](CNC(=O)c1ccc(C2SCCCS2)cc1)N1CC[NH+](C)CC1 ZINC000171135522 551647992 /nfs/dbraw/zinc/64/79/92/551647992.db2.gz IMQBLKZKYLHTEF-OAHLLOKOSA-N 1 0 379.595 2.921 20 0 GFADRO CC[NH+](CC)CCNC(=O)NCCc1ccc(I)s1 ZINC000171189444 551649122 /nfs/dbraw/zinc/64/91/22/551649122.db2.gz IESCTGSHUQRQAW-UHFFFAOYSA-N 1 0 395.310 2.536 20 0 GFADRO CC(C)C[C@@H](CNC(=O)CSc1nnc(-c2cccs2)n1C)[NH+](C)C ZINC000171281039 551652054 /nfs/dbraw/zinc/65/20/54/551652054.db2.gz CLZZSJMEEXHJMT-ZDUSSCGKSA-N 1 0 381.571 2.728 20 0 GFADRO CC(C)C[C@H](CNC(=O)CSc1nnc(-c2cccs2)n1C)[NH+](C)C ZINC000171281045 551652181 /nfs/dbraw/zinc/65/21/81/551652181.db2.gz CLZZSJMEEXHJMT-CYBMUJFWSA-N 1 0 381.571 2.728 20 0 GFADRO Cc1cccc(C(=O)N2CC[C@H]([NH+]3CCCC3)C2)c1I ZINC000171441093 551655824 /nfs/dbraw/zinc/65/58/24/551655824.db2.gz IROTWDCHSARQKB-ZDUSSCGKSA-N 1 0 384.261 2.910 20 0 GFADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)N[C@@H]1CCCOC1 ZINC000171609692 551658921 /nfs/dbraw/zinc/65/89/21/551658921.db2.gz YJHLLAAPYFRGLQ-MRXNPFEDSA-N 1 0 384.318 2.701 20 0 GFADRO Cc1cc(Br)cc(Cl)c1NC(=O)C(=O)NC[C@H]1CCC[N@H+]1C ZINC000172306207 551676101 /nfs/dbraw/zinc/67/61/01/551676101.db2.gz JLAWJKBSAVNURA-LLVKDONJSA-N 1 0 388.693 2.560 20 0 GFADRO O=C(NCCC[NH+]1CCC(O)CC1)[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000172312865 551676208 /nfs/dbraw/zinc/67/62/08/551676208.db2.gz WKFTZGOTHKBJQE-DLBZAZTESA-N 1 0 381.314 2.516 20 0 GFADRO CC(C)[NH+]1CCN(c2ncnc3ccc(I)cc32)CC1 ZINC000172380385 551677667 /nfs/dbraw/zinc/67/76/67/551677667.db2.gz HXLCKPVFUBHNCW-UHFFFAOYSA-N 1 0 382.249 2.765 20 0 GFADRO CC1CC[NH+]([C@@H](CNS(=O)(=O)CC2CCOCC2)c2cccs2)CC1 ZINC000172978457 551691242 /nfs/dbraw/zinc/69/12/42/551691242.db2.gz CWGBMXXLWFLVOL-KRWDZBQOSA-N 1 0 386.583 2.867 20 0 GFADRO C[C@@H](NC(=O)c1cc(Br)c2c(c1)OCCO2)C(C)(C)C[NH+](C)C ZINC000173057785 551693575 /nfs/dbraw/zinc/69/35/75/551693575.db2.gz AVJYRZOKUUTUKB-LLVKDONJSA-N 1 0 385.302 2.926 20 0 GFADRO O=S(=O)(NC1CC[NH+](CC2CC2)CC1)c1ccc(Br)c(F)c1 ZINC000173047956 551693763 /nfs/dbraw/zinc/69/37/63/551693763.db2.gz LFVQQQVXCYUULJ-UHFFFAOYSA-N 1 0 391.306 2.741 20 0 GFADRO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)Nc1cc(F)c(Br)c(Cl)c1 ZINC000415434935 563775619 /nfs/dbraw/zinc/77/56/19/563775619.db2.gz WYTVKRFSMNHEAB-SECBINFHSA-N 1 0 394.672 2.670 20 0 GFADRO C[C@H](CNC(=O)Nc1cc(Br)ccc1F)C[NH+]1CCN(C)CC1 ZINC000173145811 552078671 /nfs/dbraw/zinc/07/86/71/552078671.db2.gz AERUQEATEKMUBH-GFCCVEGCSA-N 1 0 387.297 2.593 20 0 GFADRO CC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2ccc(F)c(Br)c2)C1 ZINC000173204978 552079734 /nfs/dbraw/zinc/07/97/34/552079734.db2.gz MWCYTLGWKGFNHZ-NSHDSACASA-N 1 0 379.295 2.551 20 0 GFADRO CCC[N@H+](C)C[C@H]1CCN(S(=O)(=O)c2ccc(F)c(Br)c2)C1 ZINC000173204924 552079776 /nfs/dbraw/zinc/07/97/76/552079776.db2.gz VPVWJNPZPKRSIV-GFCCVEGCSA-N 1 0 393.322 2.941 20 0 GFADRO CC[NH+]1CCN(CCC(=O)NCc2cc(Cl)ccc2OC(F)F)CC1 ZINC000173506149 552086984 /nfs/dbraw/zinc/08/69/84/552086984.db2.gz SSTVSOJRTRBAJI-UHFFFAOYSA-N 1 0 375.847 2.585 20 0 GFADRO O=S(=O)(c1ccccc1Br)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000173631320 552089435 /nfs/dbraw/zinc/08/94/35/552089435.db2.gz HUOPRIRXISVWBJ-CQSZACIVSA-N 1 0 387.343 2.946 20 0 GFADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(C)c(Br)c2)C1 ZINC000173649096 552089973 /nfs/dbraw/zinc/08/99/73/552089973.db2.gz RILCPGGSTIUUPS-AWEZNQCLSA-N 1 0 396.329 2.886 20 0 GFADRO CC(C)OCC[NH+]1CCN(C[C@@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000173960772 552095806 /nfs/dbraw/zinc/09/58/06/552095806.db2.gz WETNKUDHLSIERX-MRXNPFEDSA-N 1 0 391.339 2.776 20 0 GFADRO C[C@H](CNC(=O)Nc1ccc(Br)c(F)c1)C[NH+]1CCN(C)CC1 ZINC000173974495 552096375 /nfs/dbraw/zinc/09/63/75/552096375.db2.gz CFKGFAZHVRNYFT-GFCCVEGCSA-N 1 0 387.297 2.593 20 0 GFADRO CC[C@H](CO)[NH+]1CCN(CC(=O)N[C@H](C)c2ccc(Cl)c(Cl)c2)CC1 ZINC000174133946 552100043 /nfs/dbraw/zinc/10/00/43/552100043.db2.gz UEGBPCBTYWQAOF-UKRRQHHQSA-N 1 0 388.339 2.559 20 0 GFADRO O=C(c1cc2cc(Br)ccc2[nH]1)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000174199832 552101756 /nfs/dbraw/zinc/10/17/56/552101756.db2.gz IDEYZQLQIPNEBX-ZDUSSCGKSA-N 1 0 392.297 2.725 20 0 GFADRO Cc1nc(SCC(=O)Nc2ccc(C[NH+]3CCSCC3)cc2C)n[nH]1 ZINC000174681384 552108521 /nfs/dbraw/zinc/10/85/21/552108521.db2.gz WCWWGSZNOISTSJ-UHFFFAOYSA-N 1 0 377.539 2.701 20 0 GFADRO CC(C)[NH+]1CCC(NC(=O)CN(C)Cc2nc(C(F)(F)F)cs2)CC1 ZINC000174985723 552112901 /nfs/dbraw/zinc/11/29/01/552112901.db2.gz RMUMXOPCGWRXQI-UHFFFAOYSA-N 1 0 378.464 2.583 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(=O)[nH]c2c(Br)cccc12 ZINC000175080887 552115368 /nfs/dbraw/zinc/11/53/68/552115368.db2.gz VJDQGSPXTMGHMA-NSHDSACASA-N 1 0 378.270 2.505 20 0 GFADRO C[NH+](C)[C@H]1CCC[C@H](NS(=O)(=O)c2ccc(Br)c(F)c2)C1 ZINC000175090539 552115861 /nfs/dbraw/zinc/11/58/61/552115861.db2.gz KCCVFEITMMIFIX-QWRGUYRKSA-N 1 0 379.295 2.739 20 0 GFADRO C[C@H](C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1)c1ccc(Cl)s1 ZINC000175231427 552118286 /nfs/dbraw/zinc/11/82/86/552118286.db2.gz SGXNNHQSVBZJPK-ZDUSSCGKSA-N 1 0 378.929 2.968 20 0 GFADRO CC1(C)CN(C(=O)CCC[S@@](=O)c2ccc(Br)cc2)CC[NH2+]1 ZINC000175436568 552121812 /nfs/dbraw/zinc/12/18/12/552121812.db2.gz SMZNWRSYFOSXCO-JOCHJYFZSA-N 1 0 387.343 2.547 20 0 GFADRO C[C@H](N1CCN(C(=O)NC[C@@H](c2cccs2)[NH+](C)C)CC1)C(F)(F)F ZINC000175545645 552124457 /nfs/dbraw/zinc/12/44/57/552124457.db2.gz QBKKQRPQLIHHFQ-STQMWFEESA-N 1 0 378.464 2.629 20 0 GFADRO O=C(Nc1ccc(Br)cc1F)N1CC[NH+](C2CCOCC2)CC1 ZINC000175563368 552124988 /nfs/dbraw/zinc/12/49/88/552124988.db2.gz NRIZOHFCNOTYSK-UHFFFAOYSA-N 1 0 386.265 2.917 20 0 GFADRO CC[NH+](CC)CCN(Cc1cccs1)C(=O)C(=O)Nc1nc(C)cs1 ZINC000175876519 552130787 /nfs/dbraw/zinc/13/07/87/552130787.db2.gz FMEMKQPPQZFFSG-UHFFFAOYSA-N 1 0 380.539 2.822 20 0 GFADRO CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2nc(-c3cccs3)cs2)C1 ZINC000175957943 552133032 /nfs/dbraw/zinc/13/30/32/552133032.db2.gz KGGMFBFJGZIDJX-LBPRGKRZSA-N 1 0 378.523 2.658 20 0 GFADRO CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)Nc2nc(-c3cccs3)cs2)C1 ZINC000176089039 552135562 /nfs/dbraw/zinc/13/55/62/552135562.db2.gz YVWPQZDYILFGST-LBPRGKRZSA-N 1 0 378.523 2.753 20 0 GFADRO CC[NH+]1CCN([C@H](C)CNC(=O)CCc2ccc(Br)cc2)CC1 ZINC000176378484 552139766 /nfs/dbraw/zinc/13/97/66/552139766.db2.gz NFETVROBVCNVMQ-OAHLLOKOSA-N 1 0 382.346 2.524 20 0 GFADRO O=C(CCc1ccc(Br)cc1)N1CC[NH+](C2CCOCC2)CC1 ZINC000176560682 552141235 /nfs/dbraw/zinc/14/12/35/552141235.db2.gz JZSIMECZEYUENB-UHFFFAOYSA-N 1 0 381.314 2.705 20 0 GFADRO C[NH+](C)CCN(Cc1cccs1)S(=O)(=O)c1c(F)cc(F)cc1F ZINC000176792874 552145872 /nfs/dbraw/zinc/14/58/72/552145872.db2.gz ZIDSZBFFPGOKSW-UHFFFAOYSA-N 1 0 378.441 2.918 20 0 GFADRO CCN1CC[NH+](CCCCNC(=O)c2ccc(C)c(Br)c2)CC1 ZINC000176828287 552146768 /nfs/dbraw/zinc/14/67/68/552146768.db2.gz MGTZKNJMLCIYOB-UHFFFAOYSA-N 1 0 382.346 2.905 20 0 GFADRO C[C@H]1C[C@@H](N(C)C(=O)c2cc(=O)[nH]c3c(Br)cccc23)CC[N@@H+]1C ZINC000177012321 552149552 /nfs/dbraw/zinc/14/95/52/552149552.db2.gz AEIXAHXZDSCPCW-RYUDHWBXSA-N 1 0 392.297 2.845 20 0 GFADRO C[C@H]1C[C@@H](NC(=O)c2cc(=O)[nH]c3c(Br)cccc23)C[N@@H+]1C1CC1 ZINC000177223439 552151825 /nfs/dbraw/zinc/15/18/25/552151825.db2.gz DIOCTZMSPFYHFX-WDEREUQCSA-N 1 0 390.281 2.646 20 0 GFADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2CC(=O)N(C)Cc1ccccc1Br ZINC000177338270 552153311 /nfs/dbraw/zinc/15/33/11/552153311.db2.gz ZKCFZKHLLPDXLU-SJORKVTESA-N 1 0 394.357 2.966 20 0 GFADRO CC(C)(O)C[NH+]1CCC(Oc2ccccc2I)CC1 ZINC000177454217 552154237 /nfs/dbraw/zinc/15/42/37/552154237.db2.gz RZQMRSUQDAZZAU-UHFFFAOYSA-N 1 0 375.250 2.905 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1cc(=O)[nH]c2c(Br)cccc12 ZINC000177694369 552157099 /nfs/dbraw/zinc/15/70/99/552157099.db2.gz QDEXBRYOUDDGOX-LBPRGKRZSA-N 1 0 392.297 2.847 20 0 GFADRO CCS(=O)(=O)N(C)CCC[NH2+][C@@H](C)c1ccc(F)cc1Br ZINC000178071793 552163755 /nfs/dbraw/zinc/16/37/55/552163755.db2.gz FKUCUDQUKSWKKB-NSHDSACASA-N 1 0 381.311 2.910 20 0 GFADRO CC[NH+](CC)CCSCC(=O)N[C@@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000178224013 552167517 /nfs/dbraw/zinc/16/75/17/552167517.db2.gz ZWTWHDRXDWWAEA-MRXNPFEDSA-N 1 0 383.945 2.637 20 0 GFADRO C[N@H+](CCC(=O)N1CCc2sccc2C1)Cc1ccc([S@@](C)=O)cc1 ZINC000178428866 552170127 /nfs/dbraw/zinc/17/01/27/552170127.db2.gz VQRBUGONVDASOM-RUZDIDTESA-N 1 0 376.547 2.892 20 0 GFADRO [NH3+][C@H]1CCCCCC[C@H]1C(=O)NCC(=O)Nc1ccc(Br)cc1 ZINC000178436080 552170205 /nfs/dbraw/zinc/17/02/05/552170205.db2.gz PQGZBRTWXVUHJP-CABCVRRESA-N 1 0 382.302 2.802 20 0 GFADRO CCN(CCC[NH2+][C@@H](C)c1cc(Br)ccc1F)S(C)(=O)=O ZINC000178423666 552170210 /nfs/dbraw/zinc/17/02/10/552170210.db2.gz GKELJBXSQKUHNN-NSHDSACASA-N 1 0 381.311 2.910 20 0 GFADRO O=C(Nc1cccc(C(=O)NC[C@@H]2CCC[NH2+]2)c1)c1ccc(Br)o1 ZINC000178729216 552174339 /nfs/dbraw/zinc/17/43/39/552174339.db2.gz HYIXYKVQDDBRFN-ZDUSSCGKSA-N 1 0 392.253 2.776 20 0 GFADRO C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)C[C@@H]2CCC[NH2+]2)CC1 ZINC000178821874 552176468 /nfs/dbraw/zinc/17/64/68/552176468.db2.gz AAOLUSKZLWSABU-YOEHRIQHSA-N 1 0 380.330 2.796 20 0 GFADRO O=S(=O)(NCCC[NH+]1CCCCC1)c1cc(F)ccc1Br ZINC000178863531 552177520 /nfs/dbraw/zinc/17/75/20/552177520.db2.gz LVLHIELCSNFNQX-UHFFFAOYSA-N 1 0 379.295 2.743 20 0 GFADRO NC(=O)[C@H](NCc1cc(F)cc2c1OCOC2)c1cccc(Br)c1 ZINC000179221619 552187396 /nfs/dbraw/zinc/18/73/96/552187396.db2.gz YQDROYBTIXBIES-OAHLLOKOSA-N 1 0 395.228 2.771 20 0 GFADRO COC(=O)c1ccc(CN[C@H](C(N)=O)c2cccc(Br)c2)cc1 ZINC000179214141 552187443 /nfs/dbraw/zinc/18/74/43/552187443.db2.gz WAVNAIJBRMYQOZ-HNNXBMFYSA-N 1 0 377.238 2.552 20 0 GFADRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+]C[C@H](O)c2ccc(Cl)c(F)c2)cc1 ZINC000179502551 552195066 /nfs/dbraw/zinc/19/50/66/552195066.db2.gz DLDMPQLKULKWBI-GTNSWQLSSA-N 1 0 386.876 2.771 20 0 GFADRO CCCS(=O)(=O)NC1CC[NH+](Cc2ccc(OCC(F)F)cc2)CC1 ZINC000180019044 552209708 /nfs/dbraw/zinc/20/97/08/552209708.db2.gz MNKUNGNMOCBZSB-UHFFFAOYSA-N 1 0 376.469 2.624 20 0 GFADRO O=C(C[C@@H](O)c1cc(Cl)cc(Cl)c1)N1CCC[C@H]1CN1CCOCC1 ZINC000180065131 552211609 /nfs/dbraw/zinc/21/16/09/552211609.db2.gz LBDGUEFZPVUIIF-DLBZAZTESA-N 1 0 387.307 2.740 20 0 GFADRO CC[NH+]1CCN([C@@H](C)CNC(=O)c2cccc(Br)c2Cl)CC1 ZINC000180112248 552213898 /nfs/dbraw/zinc/21/38/98/552213898.db2.gz PHYWQXMUEKBIDG-LBPRGKRZSA-N 1 0 388.737 2.858 20 0 GFADRO O=C(C[C@@H](O)c1cc(Cl)cc(Cl)c1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000180131370 552214355 /nfs/dbraw/zinc/21/43/55/552214355.db2.gz INLSOKNBFXTQII-CXAGYDPISA-N 1 0 387.307 2.598 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)C(=O)N1CCC([NH2+]C(C)C)CC1 ZINC000180359876 552224115 /nfs/dbraw/zinc/22/41/15/552224115.db2.gz QKRQBJUQHSBUGZ-UHFFFAOYSA-N 1 0 382.302 2.685 20 0 GFADRO CCOC(=O)c1ccc(C[NH2+]CCNC(=O)c2ccc(Br)cc2)o1 ZINC000180427331 552225547 /nfs/dbraw/zinc/22/55/47/552225547.db2.gz LKMWYVYNNCQTCO-UHFFFAOYSA-N 1 0 395.253 2.738 20 0 GFADRO CSc1ncc(Cl)c(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000180549631 552229436 /nfs/dbraw/zinc/22/94/36/552229436.db2.gz JNPWGRIVYNVYJB-UHFFFAOYSA-N 1 0 377.901 2.893 20 0 GFADRO C[N@@H+]1CCC[C@H](CNS(=O)(=O)Cc2ccc(Cl)cc2Br)C1 ZINC000180706371 552233205 /nfs/dbraw/zinc/23/32/05/552233205.db2.gz UCMDEBZALQIUIX-LLVKDONJSA-N 1 0 395.750 2.864 20 0 GFADRO C[C@@H]1C[C@@H]([NH2+]CCOCCS(C)(=O)=O)c2cccc(Br)c21 ZINC000181145734 552248498 /nfs/dbraw/zinc/24/84/98/552248498.db2.gz VAACZWDXSQIXNH-BXUZGUMPSA-N 1 0 376.316 2.648 20 0 GFADRO CS(=O)(=O)CCOCC[NH2+][C@H]1CCCc2nc(-c3ccccc3)sc21 ZINC000181149604 552248570 /nfs/dbraw/zinc/24/85/70/552248570.db2.gz USZWWBMAGXPAOQ-HNNXBMFYSA-N 1 0 380.535 2.838 20 0 GFADRO COc1ccc(C(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)nc1Br ZINC000181154655 552248594 /nfs/dbraw/zinc/24/85/94/552248594.db2.gz BNTCGENOIKEVGM-CYBMUJFWSA-N 1 0 382.302 2.943 20 0 GFADRO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@H]1CC(=O)N(C2CC2)C1 ZINC000181219501 552250111 /nfs/dbraw/zinc/25/01/11/552250111.db2.gz IMAUZJDCJHZVDD-RISCZKNCSA-N 1 0 380.286 2.519 20 0 GFADRO COc1cc([C@@H](C)[NH2+]Cc2ccc([S@](C)=O)cc2)ccc1S(C)(=O)=O ZINC000181250894 552251137 /nfs/dbraw/zinc/25/11/37/552251137.db2.gz ZSOKEJFQIXBHRG-OZAJXLCCSA-N 1 0 381.519 2.687 20 0 GFADRO Cc1ccc(NC(=O)C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)c(Br)n1 ZINC000181296973 552252463 /nfs/dbraw/zinc/25/24/63/552252463.db2.gz LNXVDVFHFOVXFP-UHFFFAOYSA-N 1 0 397.317 2.516 20 0 GFADRO C[NH+](C)CCC1CCN(S(=O)(=O)c2cc(Br)ccc2F)CC1 ZINC000181386359 552255300 /nfs/dbraw/zinc/25/53/00/552255300.db2.gz DEXCPTODKWNVMO-UHFFFAOYSA-N 1 0 393.322 2.941 20 0 GFADRO COCCC(=O)N1CCC([NH2+][C@H](C)c2ncc(Br)s2)CC1 ZINC000181419390 552256065 /nfs/dbraw/zinc/25/60/65/552256065.db2.gz ZAOCLCLXPVLXAP-SNVBAGLBSA-N 1 0 376.320 2.584 20 0 GFADRO COc1ccc([C@H](C)[NH2+]CCN(C)S(=O)(=O)c2cccs2)c(OC)c1 ZINC000181500628 552258292 /nfs/dbraw/zinc/25/82/92/552258292.db2.gz PAMLYGSWRHTMSN-ZDUSSCGKSA-N 1 0 384.523 2.737 20 0 GFADRO Cc1ccc(S(=O)(=O)NCC[NH2+][C@H](C)c2ccc(F)cc2N(C)C)s1 ZINC000181511076 552258802 /nfs/dbraw/zinc/25/88/02/552258802.db2.gz LFYTWWLUAHRDIX-CYBMUJFWSA-N 1 0 385.530 2.891 20 0 GFADRO C[C@H](Cn1cc(Br)cn1)[NH2+]CCc1nnc(-c2ccccc2)o1 ZINC000181560715 552261220 /nfs/dbraw/zinc/26/12/20/552261220.db2.gz OLZSFZHDPNNPNV-GFCCVEGCSA-N 1 0 376.258 2.916 20 0 GFADRO CC[C@@H]([NH2+]C[C@H](O)CS(=O)(=O)c1cccs1)c1ccc(F)cc1F ZINC000181641295 552263357 /nfs/dbraw/zinc/26/33/57/552263357.db2.gz FZSNWOAGNCNYSJ-SWLSCSKDSA-N 1 0 375.462 2.902 20 0 GFADRO C[C@H]([NH2+]C[C@H](O)CS(=O)(=O)c1cccs1)c1ccc2ccccc2n1 ZINC000181636401 552263557 /nfs/dbraw/zinc/26/35/57/552263557.db2.gz JIUHPRJMGLHQJM-ZFWWWQNUSA-N 1 0 376.503 2.782 20 0 GFADRO CC[C@H]([NH2+]C[C@H](O)CS(=O)(=O)c1cccs1)c1ccc(F)cc1F ZINC000181641274 552263624 /nfs/dbraw/zinc/26/36/24/552263624.db2.gz FZSNWOAGNCNYSJ-WFASDCNBSA-N 1 0 375.462 2.902 20 0 GFADRO Cc1cccc(C[C@@H]([NH2+]C[C@H](O)CS(=O)(=O)c2cccs2)C2CC2)c1 ZINC000181642155 552264341 /nfs/dbraw/zinc/26/43/41/552264341.db2.gz IAHWDEMMLFYHJC-ZWKOTPCHSA-N 1 0 379.547 2.802 20 0 GFADRO C[C@H]([NH2+]C[C@H]1CCN(S(C)(=O)=O)C1)c1ccc(SCC(F)F)cc1 ZINC000181682908 552265213 /nfs/dbraw/zinc/26/52/13/552265213.db2.gz FQLOJFWDTZLNQY-QWHCGFSZSA-N 1 0 378.510 2.976 20 0 GFADRO O=S1(=O)CCC(C[NH2+][C@H]2CCc3c2c(Br)ccc3F)CC1 ZINC000181760766 552266895 /nfs/dbraw/zinc/26/68/95/552266895.db2.gz MJOCTVCOBGNVJR-AWEZNQCLSA-N 1 0 376.291 2.990 20 0 GFADRO O=C(NCC[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2)c1cccc(Br)c1 ZINC000181958784 552271662 /nfs/dbraw/zinc/27/16/62/552271662.db2.gz JTBRGDAWIJMKPY-OAGGEKHMSA-N 1 0 379.298 2.726 20 0 GFADRO C[C@H]([NH2+][C@H](CC(N)=O)C1CCOCC1)C(=O)Nc1cc(Cl)ccc1Cl ZINC000181947283 552271828 /nfs/dbraw/zinc/27/18/28/552271828.db2.gz JFPSXKAOSWOFBW-IINYFYTJSA-N 1 0 388.295 2.581 20 0 GFADRO CC[C@H]([NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1)c1cc(F)cc(Br)c1 ZINC000182067421 552274499 /nfs/dbraw/zinc/27/44/99/552274499.db2.gz NMQUKRYBKSEZNA-NHYWBVRUSA-N 1 0 393.322 2.910 20 0 GFADRO CC[C@H]([NH2+]CCS(=O)(=O)c1cccc(Br)c1)[C@H]1CCCO1 ZINC000182277791 552279961 /nfs/dbraw/zinc/27/99/61/552279961.db2.gz QTLUBRWIGWVAHZ-LSDHHAIUSA-N 1 0 376.316 2.770 20 0 GFADRO COC(=O)c1cc(NC(=O)NC[C@H]2CCC[N@H+](C)C2)ccc1Br ZINC000182617742 552288732 /nfs/dbraw/zinc/28/87/32/552288732.db2.gz FFICEOSUDFDOFU-LLVKDONJSA-N 1 0 384.274 2.699 20 0 GFADRO C[C@H](CS(C)(=O)=O)[NH2+]CC1(c2cccc(Br)c2)CCOCC1 ZINC000182651775 552289963 /nfs/dbraw/zinc/28/99/63/552289963.db2.gz CQOKUFNMOCPEEL-CYBMUJFWSA-N 1 0 390.343 2.520 20 0 GFADRO CC[NH+](CC)C[C@H]1CCN(S(=O)(=O)c2ccc(OCC(F)F)cc2)C1 ZINC000182711753 552291154 /nfs/dbraw/zinc/29/11/54/552291154.db2.gz GBSPJLKKBAKIIB-CQSZACIVSA-N 1 0 376.469 2.683 20 0 GFADRO O=C(CCc1cc(F)ccc1Br)N1CC[NH+](C2CCOCC2)CC1 ZINC000182989873 552297926 /nfs/dbraw/zinc/29/79/26/552297926.db2.gz AXLXNXBCUPXFJF-UHFFFAOYSA-N 1 0 399.304 2.844 20 0 GFADRO C[S@](=O)C[C@H]([NH2+]C[C@H](O)COCc1ccccc1Cl)c1ccccc1 ZINC000183167164 552302209 /nfs/dbraw/zinc/30/22/09/552302209.db2.gz RWXJQXHJZKDJHV-KMEZTADASA-N 1 0 381.925 2.927 20 0 GFADRO CCNC(=O)C(C)(C)C[NH2+][C@@H](C)CC(=O)Nc1ccc(Br)cc1 ZINC000183212472 552303433 /nfs/dbraw/zinc/30/34/33/552303433.db2.gz ACQOJIMTXQLVIL-LBPRGKRZSA-N 1 0 384.318 2.918 20 0 GFADRO COC(=O)c1ccc(S(=O)(=O)NCC[C@H](C)[NH+]2CCCCC2)cc1Cl ZINC000183288850 552305223 /nfs/dbraw/zinc/30/52/23/552305223.db2.gz RYDYHKYZNXFLCO-ZDUSSCGKSA-N 1 0 388.917 2.669 20 0 GFADRO CN(C)C(=O)[C@@H]1CC[C@H](C[NH2+][C@@H]2CCCOc3cc(Br)ccc32)O1 ZINC000183448865 552309923 /nfs/dbraw/zinc/30/99/23/552309923.db2.gz UIPNILQUJKBRNG-BMFZPTHFSA-N 1 0 397.313 2.888 20 0 GFADRO COC(=O)[C@@H](c1cccc(Cl)c1Cl)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000183601659 552314587 /nfs/dbraw/zinc/31/45/87/552314587.db2.gz DXMROAIUVOSPKQ-CXAGYDPISA-N 1 0 387.307 2.862 20 0 GFADRO CCc1cc(N2CCC[C@@H]([NH2+]Cc3cncc(Br)c3)C2)ncn1 ZINC000183707689 552317245 /nfs/dbraw/zinc/31/72/45/552317245.db2.gz RDURTIROLFPJKI-MRXNPFEDSA-N 1 0 376.302 2.955 20 0 GFADRO CC(C)n1cc(Br)cc1C(=O)NC(C)(C)CC[NH+]1CCN(C)CC1 ZINC000184181587 552329460 /nfs/dbraw/zinc/32/94/60/552329460.db2.gz WYLPQUNUCODZTE-UHFFFAOYSA-N 1 0 399.377 2.977 20 0 GFADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)CCc1ccccc1Br ZINC000184357606 552333206 /nfs/dbraw/zinc/33/32/06/552333206.db2.gz WJCQXBBCYUWBBQ-HNNXBMFYSA-N 1 0 382.346 2.524 20 0 GFADRO CN(C(=O)c1ncc(Br)cc1Br)[C@H]1CCC[N@H+](C)C1 ZINC000184990779 552349925 /nfs/dbraw/zinc/34/99/25/552349925.db2.gz CGBKEIQXFCUTFG-JTQLQIEISA-N 1 0 391.107 2.773 20 0 GFADRO Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+]CCN2CCc3sccc3C2)cc1 ZINC000185105632 552354091 /nfs/dbraw/zinc/35/40/91/552354091.db2.gz JRMYQBDOSHEGCI-INIZCTEOSA-N 1 0 378.563 2.867 20 0 GFADRO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000185175434 552356494 /nfs/dbraw/zinc/35/64/94/552356494.db2.gz LMBXVYTXTWUEEN-GDLCADMTSA-N 1 0 391.265 2.673 20 0 GFADRO C[C@H](CNC(=O)N(C)CC[N@H+](C)C1CC1)Oc1ccccc1Br ZINC000185508528 552364408 /nfs/dbraw/zinc/36/44/08/552364408.db2.gz BZRVMBKPTZJKNW-CYBMUJFWSA-N 1 0 384.318 2.952 20 0 GFADRO C[C@@H]1C[N@@H+](CCCNC(=O)N2Cc3cccc(Br)c3C2)C[C@H](C)O1 ZINC000185510079 552364578 /nfs/dbraw/zinc/36/45/78/552364578.db2.gz NNQGFADAKWYOOE-OKILXGFUSA-N 1 0 396.329 2.974 20 0 GFADRO Cc1cccc(NC(=O)C(=O)NC2CC[NH+](C(C)C)CC2)c1Br ZINC000185497187 552364601 /nfs/dbraw/zinc/36/46/01/552364601.db2.gz VXLZMQUMLKVCTH-UHFFFAOYSA-N 1 0 382.302 2.685 20 0 GFADRO Cc1c(Br)scc1C(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000185629398 552367608 /nfs/dbraw/zinc/36/76/08/552367608.db2.gz IBDQQARCJXGZOI-UHFFFAOYSA-N 1 0 375.332 2.738 20 0 GFADRO Nc1c(Br)cc(Br)cc1C[NH2+]C[C@@]1(O)CCSC1 ZINC000185853227 552372034 /nfs/dbraw/zinc/37/20/34/552372034.db2.gz CXAUOPVDFVOBJP-LBPRGKRZSA-N 1 0 396.148 2.751 20 0 GFADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)N(C)Cc1ccccc1Br ZINC000186113142 552379509 /nfs/dbraw/zinc/37/95/09/552379509.db2.gz YQFVAPAGNNZJBK-OAHLLOKOSA-N 1 0 397.361 2.617 20 0 GFADRO C[C@H](Cn1cc(Br)cn1)[NH2+]C1CCC(O)(c2cccnc2)CC1 ZINC000186341064 552385555 /nfs/dbraw/zinc/38/55/55/552385555.db2.gz KAFGMVJJHORCED-NVPAJSRCSA-N 1 0 379.302 2.849 20 0 GFADRO CC[N@H+](CCO)CCNC(=O)Nc1cc(Cl)c(C)cc1Br ZINC000186778860 552397696 /nfs/dbraw/zinc/39/76/96/552397696.db2.gz CXIMKAICDGFCMZ-UHFFFAOYSA-N 1 0 378.698 2.847 20 0 GFADRO CC(C)(CC[NH+]1CCCCCC1)NC(=O)c1c[nH]c(=O)c(Br)c1 ZINC000186825255 552398950 /nfs/dbraw/zinc/39/89/50/552398950.db2.gz DPBRCYLJTUBABJ-UHFFFAOYSA-N 1 0 384.318 2.912 20 0 GFADRO CN1CCO[C@@H]([C@H]([NH2+]CCCCCS(C)(=O)=O)c2ccc(Cl)cc2)C1 ZINC000186860787 552399336 /nfs/dbraw/zinc/39/93/36/552399336.db2.gz JUMFSZCFBYFWGU-QZTJIDSGSA-N 1 0 388.961 2.516 20 0 GFADRO C[C@H](CCc1ccc(Br)cc1)NC(=O)NCC[N@@H+]1CCCOCC1 ZINC000187021574 552404220 /nfs/dbraw/zinc/40/42/20/552404220.db2.gz CAAWRUDSLGSGMG-OAHLLOKOSA-N 1 0 398.345 2.792 20 0 GFADRO Brc1ccc2[nH]c(CN3CC[NH+](CC4CCOCC4)CC3)nc2c1 ZINC000187058607 552405233 /nfs/dbraw/zinc/40/52/33/552405233.db2.gz QHEMBFVRYNCYPB-UHFFFAOYSA-N 1 0 393.329 2.870 20 0 GFADRO COc1cc(Br)ccc1CNC(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000187109793 552406303 /nfs/dbraw/zinc/40/63/03/552406303.db2.gz KXKKJZKSJAHZPC-SMDDNHRTSA-N 1 0 382.302 2.882 20 0 GFADRO C[C@@H]([NH2+]CCOc1cccc(Br)c1)C1CCS(=O)(=O)CC1 ZINC000187092093 552406560 /nfs/dbraw/zinc/40/65/60/552406560.db2.gz ZFVCMXMQPKSPSW-GFCCVEGCSA-N 1 0 376.316 2.631 20 0 GFADRO Cc1cc(Br)c(F)cc1NC(=O)C(=O)NCC(C)(C)C[NH+](C)C ZINC000187168320 552408204 /nfs/dbraw/zinc/40/82/04/552408204.db2.gz XCAIEFRPFHGCPZ-UHFFFAOYSA-N 1 0 388.281 2.539 20 0 GFADRO C[C@H](c1cccc(S(N)(=O)=O)c1)[N@H+](C)C[C@H](O)c1ccc(F)cc1Cl ZINC000187236281 552409769 /nfs/dbraw/zinc/40/97/69/552409769.db2.gz UTEKKRQCPBSOJI-DIFFPNOSSA-N 1 0 386.876 2.853 20 0 GFADRO CCOc1cccc(C[NH2+][C@H](C)C2CCS(=O)(=O)CC2)c1OC(F)F ZINC000187296273 552411745 /nfs/dbraw/zinc/41/17/45/552411745.db2.gz ZOTFNPGEQWQSKC-GFCCVEGCSA-N 1 0 377.453 2.990 20 0 GFADRO COc1ccc(Br)cc1C[NH2+][C@H](C)C1CCS(=O)(=O)CC1 ZINC000187322287 552412285 /nfs/dbraw/zinc/41/22/85/552412285.db2.gz XKCXZZCQASUUFR-LLVKDONJSA-N 1 0 376.316 2.761 20 0 GFADRO O=C(N[C@@H](c1ccccc1)c1ccc(Br)cc1)[C@H]1C[NH2+]CCO1 ZINC000187512709 552417752 /nfs/dbraw/zinc/41/77/52/552417752.db2.gz ZWIKMMZCLFGKJK-SJORKVTESA-N 1 0 375.266 2.643 20 0 GFADRO Cc1cc(Br)cc(S(=O)(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)c1 ZINC000187541384 552418064 /nfs/dbraw/zinc/41/80/64/552418064.db2.gz ZUDWOPRSNPACDJ-CJNGLKHVSA-N 1 0 387.343 2.862 20 0 GFADRO Cc1cc(C)c(NC(=O)N[C@@H](C)CN2CC[NH+](C)CC2)cc1Br ZINC000187539632 552418282 /nfs/dbraw/zinc/41/82/82/552418282.db2.gz RQTKFOQCWUDDLY-AWEZNQCLSA-N 1 0 383.334 2.823 20 0 GFADRO COc1cc(Br)ccc1C[NH2+][C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000187574329 552419300 /nfs/dbraw/zinc/41/93/00/552419300.db2.gz WSUNLDBCYBFRHO-UKRRQHHQSA-N 1 0 376.316 2.903 20 0 GFADRO CCO[C@@H]1C[C@]([NH3+])(C(=O)NC[C@@H](C)Oc2ccccc2Br)C1(C)C ZINC000187902811 552427669 /nfs/dbraw/zinc/42/76/69/552427669.db2.gz LPEVMXIZKILWTQ-DWQUBVKVSA-N 1 0 399.329 2.865 20 0 GFADRO COc1cc([C@H](C)[NH2+][C@@H]2CCC[C@@H]2CCO)ccc1S(=O)(=O)C(F)F ZINC000187997636 552430647 /nfs/dbraw/zinc/43/06/47/552430647.db2.gz GLJHPEXVZDSEPY-OUCADQQQSA-N 1 0 377.453 2.893 20 0 GFADRO Cc1ccc(CC(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)cc1Br ZINC000188071683 552433516 /nfs/dbraw/zinc/43/35/16/552433516.db2.gz NWEHXKNUBIABCE-MRXNPFEDSA-N 1 0 395.341 2.917 20 0 GFADRO CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)c1occc1Br ZINC000188088512 552434510 /nfs/dbraw/zinc/43/45/10/552434510.db2.gz ZXYUCBAXAAIJMZ-GOSISDBHSA-N 1 0 393.281 2.751 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)cc1Br ZINC000188126533 552436198 /nfs/dbraw/zinc/43/61/98/552436198.db2.gz SVKSIWTWOQXUBI-QWHCGFSZSA-N 1 0 394.313 2.746 20 0 GFADRO Cc1cccc(S(=O)(=O)N[C@H](C)C[NH+]2CCCCC2)c1Br ZINC000188215299 552439179 /nfs/dbraw/zinc/43/91/79/552439179.db2.gz AZPSMVIDOVMWOM-CYBMUJFWSA-N 1 0 375.332 2.910 20 0 GFADRO CCN(CCC[NH+]1CCCC1)S(=O)(=O)c1ccc(Cl)cc1C(=O)OC ZINC000188264618 552440872 /nfs/dbraw/zinc/44/08/72/552440872.db2.gz WKALYCWGWVZGTK-UHFFFAOYSA-N 1 0 388.917 2.623 20 0 GFADRO CN(Cc1ccc(Br)cn1)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188286917 552441224 /nfs/dbraw/zinc/44/12/24/552441224.db2.gz VVJMQGGGSWARMS-IBGZPJMESA-N 1 0 390.325 2.913 20 0 GFADRO CCn1c(=O)c2sccc2nc1SCCCN1CC[NH+](C(C)C)CC1 ZINC000188293925 552441305 /nfs/dbraw/zinc/44/13/05/552441305.db2.gz GHQOYKKKNSRCEF-UHFFFAOYSA-N 1 0 380.583 2.986 20 0 GFADRO CC[N@H+](C)CCNC(=O)NCc1cc(Br)ccc1Br ZINC000188531738 552447202 /nfs/dbraw/zinc/44/72/02/552447202.db2.gz MCQZILAHHJWIKL-UHFFFAOYSA-N 1 0 393.123 2.963 20 0 GFADRO O[C@@H]1CCCC[C@H]1C[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000188743827 552453775 /nfs/dbraw/zinc/45/37/75/552453775.db2.gz GDGVOEFZBDSFRS-MAUKXSAKSA-N 1 0 383.330 2.926 20 0 GFADRO Cc1ccc(CN2CC[C@H]([NH2+][C@H](C)Cn3cc(Br)cn3)C2=O)cc1 ZINC000189081889 552462489 /nfs/dbraw/zinc/46/24/89/552462489.db2.gz QOMAZBKRESRYLQ-PBHICJAKSA-N 1 0 391.313 2.733 20 0 GFADRO CN(CC1([NH+](C)C)CCC1)S(=O)(=O)Cc1ccc(Br)cc1 ZINC000189135194 552464202 /nfs/dbraw/zinc/46/42/02/552464202.db2.gz GKRAIYHSDSFYRH-UHFFFAOYSA-N 1 0 375.332 2.695 20 0 GFADRO CCC[NH+]1CCC(N(C)C(=O)C(=O)Nc2cccc(Br)c2)CC1 ZINC000189270509 552467661 /nfs/dbraw/zinc/46/76/61/552467661.db2.gz PCRDZHNZURNHHY-UHFFFAOYSA-N 1 0 382.302 2.720 20 0 GFADRO COc1cc(C[NH2+][C@H]2C[C@H](O)C2(C)C)cc(I)c1OC ZINC000189354023 552469129 /nfs/dbraw/zinc/46/91/29/552469129.db2.gz FUSPDDLMZHYQMA-STQMWFEESA-N 1 0 391.249 2.557 20 0 GFADRO CC[NH+](CC)Cc1ccc(NC(=O)C(=O)NCCSC(F)(F)F)cc1 ZINC000189419634 552470978 /nfs/dbraw/zinc/47/09/78/552470978.db2.gz RGFANASSPATQRU-UHFFFAOYSA-N 1 0 377.432 2.836 20 0 GFADRO COCC[N@H+](C)CCCNc1cnn(-c2ccc(Cl)cc2)c(=O)c1Cl ZINC000189431251 552471311 /nfs/dbraw/zinc/47/13/11/552471311.db2.gz REJCIUMATLUTIA-UHFFFAOYSA-N 1 0 385.295 2.920 20 0 GFADRO CC[N@H+](C[C@@H](O)COc1cc(Cl)ccc1Cl)C[C@H](O)C(F)(F)F ZINC000189460596 552472061 /nfs/dbraw/zinc/47/20/61/552472061.db2.gz XRWAFTQDAZAJEG-MFKMUULPSA-N 1 0 376.202 2.978 20 0 GFADRO CC[C@]1(CO)CCC[N@@H+]1CC(=O)N(C)Cc1cc(Br)cs1 ZINC000189608573 552475651 /nfs/dbraw/zinc/47/56/51/552475651.db2.gz NMJGZIOCQQOOLV-OAHLLOKOSA-N 1 0 375.332 2.706 20 0 GFADRO O[C@@]1(C[NH2+]Cc2cnc(N3CCOCC3)s2)CCC[C@H](C(F)(F)F)C1 ZINC000189612914 552475988 /nfs/dbraw/zinc/47/59/88/552475988.db2.gz NUAVWMPLZSBQMJ-WFASDCNBSA-N 1 0 379.448 2.553 20 0 GFADRO CCN(CCC[NH+](C)C)C(=O)C(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000189825348 552480861 /nfs/dbraw/zinc/48/08/61/552480861.db2.gz SNIUMDJWFGSFSJ-UHFFFAOYSA-N 1 0 377.819 2.680 20 0 GFADRO C[C@H]([NH2+]CCOCC(F)(F)C(F)F)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000189834194 552480923 /nfs/dbraw/zinc/48/09/23/552480923.db2.gz IRKZZQBWFCHMFI-NSHDSACASA-N 1 0 386.411 2.505 20 0 GFADRO CNS(=O)(=O)CC[NH2+]Cc1ccc(-c2ccc(Br)cc2)s1 ZINC000190315793 552492156 /nfs/dbraw/zinc/49/21/56/552492156.db2.gz UWQZPTUHSNOEPL-UHFFFAOYSA-N 1 0 389.340 2.816 20 0 GFADRO COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000190616422 552503551 /nfs/dbraw/zinc/50/35/51/552503551.db2.gz VIHOCNLHRZRXQY-CHWSQXEVSA-N 1 0 390.933 2.515 20 0 GFADRO CC[C@H]([NH2+]CC1CN(S(=O)(=O)CC)C1)c1cccc(Br)c1 ZINC000190676466 552506067 /nfs/dbraw/zinc/50/60/67/552506067.db2.gz FIGGRBBWCOIGFS-HNNXBMFYSA-N 1 0 375.332 2.771 20 0 GFADRO CC1CC[NH+](CCNC(=O)Cc2ccc(I)cc2)CC1 ZINC000190887752 552512846 /nfs/dbraw/zinc/51/28/46/552512846.db2.gz XUYFEYLMBMHKFA-UHFFFAOYSA-N 1 0 386.277 2.682 20 0 GFADRO C[N@H+](Cc1nc(-c2cc(Br)cs2)no1)C1(CO)CCOCC1 ZINC000191013089 552517016 /nfs/dbraw/zinc/51/70/16/552517016.db2.gz CHKRSSSFPMQEAT-UHFFFAOYSA-N 1 0 388.287 2.534 20 0 GFADRO CN(CC[NH2+]Cc1ccc(OCC2CC2)cc1)S(=O)(=O)c1cccs1 ZINC000191447980 552528499 /nfs/dbraw/zinc/52/84/99/552528499.db2.gz CDDRKKWMUIHKJI-UHFFFAOYSA-N 1 0 380.535 2.947 20 0 GFADRO CC(C)[NH+]1CCN(Cc2ccc(Br)cc2N2CCOCC2)CC1 ZINC000191609726 552533186 /nfs/dbraw/zinc/53/31/86/552533186.db2.gz BCSQFWNPTLNAFM-UHFFFAOYSA-N 1 0 382.346 2.812 20 0 GFADRO COC(=O)CN1CCC([NH2+][C@@H](C)c2ccc(Br)cc2OC)CC1 ZINC000191627110 552533358 /nfs/dbraw/zinc/53/33/58/552533358.db2.gz CXMFXVJEKZBSGV-LBPRGKRZSA-N 1 0 385.302 2.746 20 0 GFADRO Cc1c(Br)cccc1CC(=O)NCC1CC[NH+](CCN(C)C)CC1 ZINC000191719763 552536016 /nfs/dbraw/zinc/53/60/16/552536016.db2.gz RZWGNYALPDFYDH-UHFFFAOYSA-N 1 0 396.373 2.690 20 0 GFADRO Brc1ccc(CN2CCCC3(C2)OCCO3)c(N2CCOCC2)c1 ZINC000191782844 552537869 /nfs/dbraw/zinc/53/78/69/552537869.db2.gz XRBYYRJGEHYESJ-UHFFFAOYSA-N 1 0 397.313 2.625 20 0 GFADRO CCOC(=O)[C@@H](C)[C@H](C)[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000191812415 552538831 /nfs/dbraw/zinc/53/88/31/552538831.db2.gz ZNIZJVKKWTVYBS-KBPBESRZSA-N 1 0 399.329 2.963 20 0 GFADRO O=S(=O)(CCO)c1ccc(C[NH2+]Cc2cnc(C3CCCC3)s2)cc1 ZINC000191843841 552539450 /nfs/dbraw/zinc/53/94/50/552539450.db2.gz KYJDMVCSZYZVMT-UHFFFAOYSA-N 1 0 380.535 2.857 20 0 GFADRO COC(=O)[C@H](c1ccc(Cl)c(Cl)c1)N1CC[NH+](CC(C)(C)O)CC1 ZINC000191988411 552545145 /nfs/dbraw/zinc/54/51/45/552545145.db2.gz LQBBYRYWUHLHMC-HNNXBMFYSA-N 1 0 375.296 2.596 20 0 GFADRO O=S(=O)(NCC[NH2+][C@H]1CCO[C@@H]1c1ccc(Cl)cc1)c1ccccc1 ZINC000192051936 552547957 /nfs/dbraw/zinc/54/79/57/552547957.db2.gz UJJSAQOIVQCVPZ-ZWKOTPCHSA-N 1 0 380.897 2.738 20 0 GFADRO CC(C)(C)[NH2+]CCNC(=O)C(=O)Nc1cccc(Cl)c1Br ZINC000192176427 552554851 /nfs/dbraw/zinc/55/48/51/552554851.db2.gz RBOLIYYWZFPILC-UHFFFAOYSA-N 1 0 376.682 2.545 20 0 GFADRO C[C@@H](C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)N(C)CC(F)(F)F ZINC000192197479 552555761 /nfs/dbraw/zinc/55/57/61/552555761.db2.gz DTEYWMMCEAOBKC-KBPBESRZSA-N 1 0 377.476 2.959 20 0 GFADRO C[C@@H](C(=O)Nc1ccccc1Br)N(C)CCN1C[C@@H](C)O[C@@H](C)C1 ZINC000192450114 552564144 /nfs/dbraw/zinc/56/41/44/552564144.db2.gz UJEGMTCWLVIENS-ZNMIVQPWSA-N 1 0 398.345 2.817 20 0 GFADRO O=C(NCC1CC[NH+](CCO)CC1)Nc1cc2c(cc1Br)CCC2 ZINC000192475594 552565242 /nfs/dbraw/zinc/56/52/42/552565242.db2.gz PJSIGZFNSDGSDP-UHFFFAOYSA-N 1 0 396.329 2.764 20 0 GFADRO Cc1c(Br)c2ccccc2n1CC(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000192537511 552566256 /nfs/dbraw/zinc/56/62/56/552566256.db2.gz FDYFJVWVHBIJLN-OKILXGFUSA-N 1 0 376.298 2.732 20 0 GFADRO COc1cc(Cl)c(S(=O)(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)cc1OC ZINC000192820780 552974362 /nfs/dbraw/zinc/97/43/62/552974362.db2.gz XGEINZINTHZXCG-ZDUSSCGKSA-N 1 0 390.933 2.852 20 0 GFADRO COCCN(C(=O)C1CC[NH+](C2CC2)CC1)c1cccc(Br)n1 ZINC000192819800 552974633 /nfs/dbraw/zinc/97/46/33/552974633.db2.gz FTRZEZBAPVECBR-UHFFFAOYSA-N 1 0 382.302 2.698 20 0 GFADRO CCC[NH+]1CCC(N(C)S(=O)(=O)c2cc(OC)c(OC)cc2Cl)CC1 ZINC000192815590 552974694 /nfs/dbraw/zinc/97/46/94/552974694.db2.gz PYFTWQDPJSLVNB-UHFFFAOYSA-N 1 0 390.933 2.852 20 0 GFADRO COc1cc(Cl)c(S(=O)(=O)N2CCC(CC[NH+](C)C)CC2)cc1OC ZINC000192825011 552975374 /nfs/dbraw/zinc/97/53/74/552975374.db2.gz RZWDITLSWWOZKM-UHFFFAOYSA-N 1 0 390.933 2.710 20 0 GFADRO Cc1cccc(S(=O)(=O)NCc2ccc3c(c2)C[NH2+]C3)c1Br ZINC000193428626 552992994 /nfs/dbraw/zinc/99/29/94/552992994.db2.gz MUUDNHYDGSRPQF-UHFFFAOYSA-N 1 0 381.295 2.839 20 0 GFADRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)c1ccc(I)cc1Cl ZINC000193507618 552995038 /nfs/dbraw/zinc/99/50/38/552995038.db2.gz VXGUXUPFSOMEHT-UFBFGSQYSA-N 1 0 378.641 2.815 20 0 GFADRO Cc1ccc(NC(=O)C(=O)NC2CC[NH+](CC3CC3)CC2)c(Br)c1 ZINC000193705174 553000775 /nfs/dbraw/zinc/00/07/75/553000775.db2.gz CAYPCOMAMZTPOF-UHFFFAOYSA-N 1 0 394.313 2.687 20 0 GFADRO O=S(=O)(c1c(F)c(F)cc(F)c1F)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000193777106 553002710 /nfs/dbraw/zinc/00/27/10/553002710.db2.gz RIEWGKKQGOYYSB-NSHDSACASA-N 1 0 380.407 2.740 20 0 GFADRO Cn1cc(N2CC[C@H]([NH2+]C3CC(c4ccc(Br)cc4)C3)C2=O)cn1 ZINC000194102721 553011725 /nfs/dbraw/zinc/01/17/25/553011725.db2.gz RGADSWMWLFQUKZ-PGEKIEPBSA-N 1 0 389.297 2.824 20 0 GFADRO CC(C)C[NH+]1CCC(NC(=O)[C@@H]2Cc3cc(Br)ccc3O2)CC1 ZINC000194185224 553013742 /nfs/dbraw/zinc/01/37/42/553013742.db2.gz SBYJYPBELVJANJ-KRWDZBQOSA-N 1 0 381.314 2.989 20 0 GFADRO Cc1c(Cl)cccc1S(=O)(=O)Nc1cc(C(N)=O)ccc1C[NH+](C)C ZINC000194591279 553024470 /nfs/dbraw/zinc/02/44/70/553024470.db2.gz JRMWGSJTMXLKIX-UHFFFAOYSA-N 1 0 381.885 2.610 20 0 GFADRO C[C@@H]([NH3+])CNC(=O)c1nn(-c2cccc(Br)c2)c2c1CCCC2 ZINC000194923744 553034039 /nfs/dbraw/zinc/03/40/39/553034039.db2.gz UAPULAGITRWRPY-LLVKDONJSA-N 1 0 377.286 2.591 20 0 GFADRO O=S(=O)(c1ccc(Oc2ccccc2Cl)cc1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000195306256 553045162 /nfs/dbraw/zinc/04/51/62/553045162.db2.gz VKCVQPOCRWKZME-OKILXGFUSA-N 1 0 378.881 2.972 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)NCCCNC(=O)c1cccs1)c1cccs1 ZINC000195474977 553049748 /nfs/dbraw/zinc/04/97/48/553049748.db2.gz YXUHUOZUQPBQND-ZDUSSCGKSA-N 1 0 380.539 2.532 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)c2ccc(I)c(Cl)c2)C1 ZINC000226542641 553061655 /nfs/dbraw/zinc/06/16/55/553061655.db2.gz RUIDIHWUTJZCCP-SCZZXKLOSA-N 1 0 378.641 2.754 20 0 GFADRO C[C@@H]1CN(C(=O)c2ccc(I)c(Cl)c2)CC[C@@H]1[NH3+] ZINC000226264489 553061684 /nfs/dbraw/zinc/06/16/84/553061684.db2.gz LIHJAZOTQGTFPL-PELKAZGASA-N 1 0 378.641 2.754 20 0 GFADRO [NH3+]C[C@@H]1c2ccccc2CCN1S(=O)(=O)c1ccc(Br)s1 ZINC000227721972 553063249 /nfs/dbraw/zinc/06/32/49/553063249.db2.gz LQPMXWBUQMLPCX-GFCCVEGCSA-N 1 0 387.324 2.757 20 0 GFADRO O=C(N[C@H]1CCC[NH2+]CC1)c1cc(Cl)ccc1I ZINC000232231452 553066138 /nfs/dbraw/zinc/06/61/38/553066138.db2.gz AYSJQWHVWIBRNV-JTQLQIEISA-N 1 0 378.641 2.817 20 0 GFADRO C[NH2+]CCC1CCN(S(=O)(=O)c2ccc(Br)c(F)c2)CC1 ZINC000232293677 553066666 /nfs/dbraw/zinc/06/66/66/553066666.db2.gz GJOAVARHVPZIPG-UHFFFAOYSA-N 1 0 379.295 2.598 20 0 GFADRO CC[C@H]1CN(S(=O)(=O)c2ccc(Cl)c(Br)c2)CC[C@@H]1[NH3+] ZINC000234132309 553067074 /nfs/dbraw/zinc/06/70/74/553067074.db2.gz WXIDBPXNPRLAEX-ZANVPECISA-N 1 0 381.723 2.850 20 0 GFADRO CCCN(C1CC[NH2+]CC1)S(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1F ZINC000236872767 553072484 /nfs/dbraw/zinc/07/24/84/553072484.db2.gz SNTPWLYJZDFGNO-UHFFFAOYSA-N 1 0 391.896 2.590 20 0 GFADRO CCc1nc(C(=O)N2C[C@@H](C)[NH2+]C[C@H]2C)nn1-c1c(Cl)cccc1Cl ZINC000237025008 553073886 /nfs/dbraw/zinc/07/38/86/553073886.db2.gz POPNEIJUXAZBJV-GHMZBOCLSA-N 1 0 382.295 2.959 20 0 GFADRO C[NH2+]C[C@@H](C)CNS(=O)(=O)c1ccc(Br)c(C(F)(F)F)c1 ZINC000237061086 553074402 /nfs/dbraw/zinc/07/44/02/553074402.db2.gz HWEPSDOERIXVAA-MRVPVSSYSA-N 1 0 389.237 2.602 20 0 GFADRO C[NH2+]C1CCN(C(=O)C2(c3ccc(Br)cc3)CCOCC2)CC1 ZINC000237106227 553074726 /nfs/dbraw/zinc/07/47/26/553074726.db2.gz JHXGOAVPZFBEKN-UHFFFAOYSA-N 1 0 381.314 2.708 20 0 GFADRO COCC[C@@H](Cc1cccc(Br)c1)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000237106586 553074731 /nfs/dbraw/zinc/07/47/31/553074731.db2.gz XMEVFPFFWZRIIT-HOTGVXAUSA-N 1 0 383.330 2.760 20 0 GFADRO COCCOc1ccc(C(F)(F)F)cc1NC(=O)C[C@@H]1CSCC[NH2+]1 ZINC000237105406 553074830 /nfs/dbraw/zinc/07/48/30/553074830.db2.gz AIQNSQKVOIFIFU-GFCCVEGCSA-N 1 0 378.416 2.764 20 0 GFADRO C[NH2+]CC(=O)NC[C@H](c1ccc(SC)cc1)N1CCc2sccc2C1 ZINC000237233098 553075966 /nfs/dbraw/zinc/07/59/66/553075966.db2.gz TZCIZMZCONPUTC-QGZVFWFLSA-N 1 0 375.563 2.905 20 0 GFADRO COC(=O)C[C@@H](NC(=O)[C@H]1CC12CC[NH2+]CC2)c1ccc(Br)cc1 ZINC000237211434 553076036 /nfs/dbraw/zinc/07/60/36/553076036.db2.gz HXHYZQWKOLBUKO-HUUCEWRRSA-N 1 0 395.297 2.559 20 0 GFADRO COCC[NH2+]CC(=O)Nc1ncc(Cc2ccc(Br)c(C)c2)s1 ZINC000237260658 553076451 /nfs/dbraw/zinc/07/64/51/553076451.db2.gz FOZOSJJOCFPYFW-UHFFFAOYSA-N 1 0 398.326 2.979 20 0 GFADRO C[C@@H](NC(=O)[C@@]1(C)CC[NH2+]C1)c1nc(-c2ccc(Br)cc2)no1 ZINC000237404610 553077806 /nfs/dbraw/zinc/07/78/06/553077806.db2.gz BCASMECUSUQUSO-HWPZZCPQSA-N 1 0 379.258 2.676 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)[C@@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000237548979 553078731 /nfs/dbraw/zinc/07/87/31/553078731.db2.gz PBWXGUODGVKMEH-GZBFAFLISA-N 1 0 394.313 2.530 20 0 GFADRO C[C@@]1(C(=O)N2CCC(C(=O)Nc3ccccc3Br)CC2)CC[NH2+]C1 ZINC000237539765 553078949 /nfs/dbraw/zinc/07/89/49/553078949.db2.gz IYQQEUAUNOOSPN-GOSISDBHSA-N 1 0 394.313 2.626 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)c1ccc(C[NH3+])cc1 ZINC000237570873 553079410 /nfs/dbraw/zinc/07/94/10/553079410.db2.gz MGTRZZWIXCQWMZ-UHFFFAOYSA-N 1 0 376.254 2.585 20 0 GFADRO C[C@]1(C(=O)NC[C@@H]2CCN(c3cccc(Br)c3)C2)CCCC[NH2+]1 ZINC000237563628 553079438 /nfs/dbraw/zinc/07/94/38/553079438.db2.gz OHZIHXSPOWBUFL-KBXCAEBGSA-N 1 0 380.330 2.924 20 0 GFADRO O=C(N[C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1)[C@@H]1CCCC[NH2+]1 ZINC000237706980 553080728 /nfs/dbraw/zinc/08/07/28/553080728.db2.gz XSUAVPIYWGKOHF-YPMHNXCESA-N 1 0 376.810 2.591 20 0 GFADRO O=C(NCC[C@H]1CCC[NH2+]C1)[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000237731006 553081209 /nfs/dbraw/zinc/08/12/09/553081209.db2.gz IBBUEFSWYYWSQU-OCCSQVGLSA-N 1 0 384.307 2.852 20 0 GFADRO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)c1cc(F)c(F)cc1I ZINC000237986194 553084434 /nfs/dbraw/zinc/08/44/34/553084434.db2.gz LQVZHRQLHHMRAH-OQPBUACISA-N 1 0 394.203 2.817 20 0 GFADRO [NH3+]C1(CNC(=O)[C@@H]2CSCN2C(=O)c2ccc(Cl)cc2)CCCCC1 ZINC000237752481 553081551 /nfs/dbraw/zinc/08/15/51/553081551.db2.gz FRESQQMCCJEMOF-HNNXBMFYSA-N 1 0 381.929 2.633 20 0 GFADRO Cc1cc(C(=O)N[C@](C)(C[NH3+])C2CC2)nn1-c1ccc(Br)cc1 ZINC000237778557 553081924 /nfs/dbraw/zinc/08/19/24/553081924.db2.gz DOOMHYFFSQMGFD-QGZVFWFLSA-N 1 0 377.286 2.800 20 0 GFADRO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000237804203 553082363 /nfs/dbraw/zinc/08/23/63/553082363.db2.gz REXRZPFMPNLMSA-LLVKDONJSA-N 1 0 379.254 2.593 20 0 GFADRO [NH3+]C1(C(=O)NCCc2ccc(I)s2)CCCCC1 ZINC000237796833 553082434 /nfs/dbraw/zinc/08/24/34/553082434.db2.gz HJEDTGFOEMKKKY-UHFFFAOYSA-N 1 0 378.279 2.673 20 0 GFADRO Cc1c(C(=O)N[C@@H]2CCC[C@@H]2C[NH3+])cnn1-c1ccc(Br)cc1 ZINC000237831475 553082900 /nfs/dbraw/zinc/08/29/00/553082900.db2.gz JLWWBESBBIWBJI-MLGOLLRUSA-N 1 0 377.286 2.800 20 0 GFADRO [NH3+][C@@H](CC(=O)NC[C@@H](O)COc1cccc(Cl)c1Cl)c1ccccc1 ZINC000237888533 553083334 /nfs/dbraw/zinc/08/33/34/553083334.db2.gz HPVGHPIRGKOKDI-HIFRSBDPSA-N 1 0 383.275 2.939 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H](C(=O)Nc2ncn(Cc3cccc(Br)c3)n2)C1 ZINC000237887245 553083551 /nfs/dbraw/zinc/08/35/51/553083551.db2.gz WYBUHVHPBGROHM-TZMCWYRMSA-N 1 0 378.274 2.545 20 0 GFADRO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)c1cc(=O)[nH]c2c(Br)cccc12 ZINC000237923175 553084194 /nfs/dbraw/zinc/08/41/94/553084194.db2.gz FYITWUJMGLKHAN-IINYFYTJSA-N 1 0 378.270 2.538 20 0 GFADRO [NH3+]CCCCNC(=O)c1nn(-c2cccc(Br)c2)c2c1CCC2 ZINC000238063989 553085812 /nfs/dbraw/zinc/08/58/12/553085812.db2.gz IUYCXTKFYNQYMZ-UHFFFAOYSA-N 1 0 377.286 2.592 20 0 GFADRO NC(=O)CC[C@@H]1CCC[N@H+](C[C@@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000245400862 553090243 /nfs/dbraw/zinc/09/02/43/553090243.db2.gz YYECPIDHPHGYJI-QWHCGFSZSA-N 1 0 375.296 2.711 20 0 GFADRO CN1CCO[C@H]([C@@H](NC(=O)CCc2cscn2)c2ccc(Cl)cc2)C1 ZINC000245791584 553096685 /nfs/dbraw/zinc/09/66/85/553096685.db2.gz XGVXFLZVRIVUDG-WMZOPIPTSA-N 1 0 379.913 2.917 20 0 GFADRO CC1(C)[C@H]([NH2+]CCNC(=O)c2ccc(Br)cc2)[C@H]2CCCO[C@H]21 ZINC000245934659 553099584 /nfs/dbraw/zinc/09/95/84/553099584.db2.gz TTZDVPPXUPCWOX-BZUAXINKSA-N 1 0 381.314 2.972 20 0 GFADRO C[N@H+](C[C@@H](O)COc1ccc(F)cc1)[C@H](CO)c1cccc(Br)c1 ZINC000245955895 553100325 /nfs/dbraw/zinc/10/03/25/553100325.db2.gz UBEICOSMWZNAPB-SJLPKXTDSA-N 1 0 398.272 2.993 20 0 GFADRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)S(=O)(=O)c1ccc(Br)c(F)c1 ZINC000246091911 553102286 /nfs/dbraw/zinc/10/22/86/553102286.db2.gz GRRSWBAMUMKAGY-QMTHXVAHSA-N 1 0 379.295 2.549 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2ccc(F)cc2Br)[C@@H](C)C1 ZINC000246123819 553102919 /nfs/dbraw/zinc/10/29/19/553102919.db2.gz JDYSZUWPMNRULR-FZMZJTMJSA-N 1 0 393.322 2.939 20 0 GFADRO C[C@H](NC(=O)CN(C)C[C@H]1CCC[N@H+](C)C1)c1ccc(Br)cc1 ZINC000246208636 553104436 /nfs/dbraw/zinc/10/44/36/553104436.db2.gz XCTUXMJTASSTEU-GJZGRUSLSA-N 1 0 382.346 2.900 20 0 GFADRO CCC[N@H+](C[C@H](O)CO[C@H](C)c1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000246266133 553104930 /nfs/dbraw/zinc/10/49/30/553104930.db2.gz LXGCBLQHJPYYCG-JLSDUUJJSA-N 1 0 389.945 2.678 20 0 GFADRO Cc1nn(C)c(Cl)c1S(=O)(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000246372062 553107011 /nfs/dbraw/zinc/10/70/11/553107011.db2.gz LYIFONGDHVXYPG-HIFRSBDPSA-N 1 0 388.965 2.657 20 0 GFADRO C[C@H](C(=O)Nc1cccc(I)c1)[N@H+](C)C[C@H]1CCOC1 ZINC000246932816 553115631 /nfs/dbraw/zinc/11/56/31/553115631.db2.gz HEBABMUCRXMRBJ-VXGBXAGGSA-N 1 0 388.249 2.587 20 0 GFADRO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)c1ccc(Br)cn1 ZINC000247222032 553120283 /nfs/dbraw/zinc/12/02/83/553120283.db2.gz NFGQNOISWMJLDE-CZUORRHYSA-N 1 0 389.297 2.880 20 0 GFADRO COCCOC[C@H]1CC[N@H+](C[C@@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000247346962 553121343 /nfs/dbraw/zinc/12/13/43/553121343.db2.gz GKMFAVJEQQAEFP-UONOGXRCSA-N 1 0 378.296 2.718 20 0 GFADRO COCCOC[C@@H]1CC[N@H+](C[C@@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000247346974 553121587 /nfs/dbraw/zinc/12/15/87/553121587.db2.gz GKMFAVJEQQAEFP-ZIAGYGMSSA-N 1 0 378.296 2.718 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc3c(c(Br)c2)OCO3)[C@@H](C)C1 ZINC000247459435 553122274 /nfs/dbraw/zinc/12/22/74/553122274.db2.gz QWMFEOGPUCXVGW-FZMZJTMJSA-N 1 0 383.286 2.980 20 0 GFADRO Cc1cc(Br)c(F)cc1NC(=O)N1CC[N@@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000248572694 553131186 /nfs/dbraw/zinc/13/11/86/553131186.db2.gz NGGHIJXKALFGFZ-RYUDHWBXSA-N 1 0 388.281 2.815 20 0 GFADRO C[C@@H](NC(=O)N1CC[N@@H+](C[C@H](C)O)[C@@H](C)C1)c1ccccc1Br ZINC000248632832 553132626 /nfs/dbraw/zinc/13/26/26/553132626.db2.gz PNTYQROJZGFSDM-MELADBBJSA-N 1 0 384.318 2.607 20 0 GFADRO Cc1cc(Br)ccc1S(=O)(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000248735291 553134499 /nfs/dbraw/zinc/13/44/99/553134499.db2.gz QSUQPXCQODYHDK-UKRRQHHQSA-N 1 0 387.343 2.862 20 0 GFADRO COc1cc(Cl)c(S(=O)(=O)N[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)cc1OC ZINC000248799270 553134924 /nfs/dbraw/zinc/13/49/24/553134924.db2.gz ZQKYKPGWUBZNIK-STQMWFEESA-N 1 0 390.933 2.756 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)C(=O)NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000248878070 553136925 /nfs/dbraw/zinc/13/69/25/553136925.db2.gz ORTKFMKKEYHTIR-OCCSQVGLSA-N 1 0 396.329 2.933 20 0 GFADRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)Nc1ccc(Cl)c(S(C)(=O)=O)c1 ZINC000249005815 553137690 /nfs/dbraw/zinc/13/76/90/553137690.db2.gz HZOKOMVJAJEEGG-OLZOCXBDSA-N 1 0 387.933 2.985 20 0 GFADRO C[C@]1(c2ccccc2)CC[C@H]([NH2+]C[C@@H](O)CS(=O)(=O)c2cccs2)C1 ZINC000249175317 553140156 /nfs/dbraw/zinc/14/01/56/553140156.db2.gz DZSPMKOVUBHYHZ-SCTDSRPQSA-N 1 0 379.547 2.983 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C)C[C@H]2C)cc1Br ZINC000249223816 553140943 /nfs/dbraw/zinc/14/09/43/553140943.db2.gz UTDDZUUEFXMQQG-CJNGLKHVSA-N 1 0 396.329 2.803 20 0 GFADRO O[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3C[N@@H+]2Cc1nnc(-c2ccccc2Br)o1 ZINC000249355320 553142175 /nfs/dbraw/zinc/14/21/75/553142175.db2.gz AAQITZUZPGMDNR-DYZFCQSDSA-N 1 0 376.254 2.700 20 0 GFADRO O[C@@H]1[C@H]2C[C@H]3C[N@H+](Cc4nnc(-c5ccccc5Br)o4)[C@H]1[C@H]3C2 ZINC000249355329 553142445 /nfs/dbraw/zinc/14/24/45/553142445.db2.gz AAQITZUZPGMDNR-SQNBZCGUSA-N 1 0 376.254 2.700 20 0 GFADRO CC[N@@H+](C[C@@H](O)C(F)(F)F)C[C@H](O)COc1c(Cl)cccc1Cl ZINC000249431960 553142689 /nfs/dbraw/zinc/14/26/89/553142689.db2.gz HEYAUDZQMSYNRV-JOYOIKCWSA-N 1 0 376.202 2.978 20 0 GFADRO C[C@@H]1CN(C[C@@H](O)COc2c(Cl)cccc2Cl)CC[N@@H+]1CC(C)(C)O ZINC000249421193 553142981 /nfs/dbraw/zinc/14/29/81/553142981.db2.gz XCLCWBSPBFMYQN-ZIAGYGMSSA-N 1 0 391.339 2.510 20 0 GFADRO C[C@H](O)C[N@@H+]1CCN(CC(=O)Nc2c(Cl)cc(Cl)cc2Cl)[C@@H](C)C1 ZINC000249515752 553144152 /nfs/dbraw/zinc/14/41/52/553144152.db2.gz QQOPISYPMAADQN-QWRGUYRKSA-N 1 0 394.730 2.972 20 0 GFADRO CC[C@H](Cc1cccc(Br)c1)C(=O)N1CCN(CCO)[C@@H](C)C1 ZINC000250135339 553147185 /nfs/dbraw/zinc/14/71/85/553147185.db2.gz XYEXMFNXOUIADT-GOEBONIOSA-N 1 0 383.330 2.543 20 0 GFADRO C[C@H](CNC(=O)[C@@H]1C[C@H]1c1cccc(Br)c1)C[NH+]1CCN(C)CC1 ZINC000250485348 553147380 /nfs/dbraw/zinc/14/73/80/553147380.db2.gz KXSKRIZTFQVGTD-FHLIZLRMSA-N 1 0 394.357 2.552 20 0 GFADRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)Nc1cccc(Br)c1 ZINC000253358203 553150942 /nfs/dbraw/zinc/15/09/42/553150942.db2.gz MHXQHKXBQJNXPA-MJBXVCDLSA-N 1 0 396.329 2.870 20 0 GFADRO CS(=O)(=O)N[C@H]1CCC[N@H+](CC/C=C\c2ccc(Br)cc2)C1 ZINC000255687788 553153001 /nfs/dbraw/zinc/15/30/01/553153001.db2.gz BEAFPCBNANGYFU-ASKPUQFJSA-N 1 0 387.343 2.866 20 0 GFADRO CCS[C@H]1CCCC[N@H+](CC(=O)N2CCN(Cc3ccsc3)CC2)C1 ZINC000261483496 553153608 /nfs/dbraw/zinc/15/36/08/553153608.db2.gz XXVMTTGHWWSDIC-SFHVURJKSA-N 1 0 381.611 3.000 20 0 GFADRO Brc1cnc(CN2CC[C@@H]3[NH2+]CC[C@H]3C2)c(Br)c1 ZINC000261566997 553153684 /nfs/dbraw/zinc/15/36/84/553153684.db2.gz IMKDVEZZTHRLIY-CABZTGNLSA-N 1 0 375.108 2.790 20 0 GFADRO O=C(COc1ccc(Br)cc1Cl)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000261668006 553155977 /nfs/dbraw/zinc/15/59/77/553155977.db2.gz CMWDKIFBOBLMIM-TXEJJXNPSA-N 1 0 387.705 2.939 20 0 GFADRO O=C(C[C@@H]1Sc2ccc(Cl)cc2NC1=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000261746258 553157830 /nfs/dbraw/zinc/15/78/30/553157830.db2.gz ITLXGFYUVQRELU-HNNXBMFYSA-N 1 0 379.913 2.745 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CCCN(S(=O)(=O)c2c(Cl)cccc2Br)C1 ZINC000261747939 553157960 /nfs/dbraw/zinc/15/79/60/553157960.db2.gz MPCZQBDGSFIIIA-NXEZZACHSA-N 1 0 381.723 2.850 20 0 GFADRO C[C@H]([NH3+])CC(=O)N[C@H](c1ccc(Cl)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000261800961 553159847 /nfs/dbraw/zinc/15/98/47/553159847.db2.gz KZXUIOPBTANIDO-KPZWWZAWSA-N 1 0 380.897 2.686 20 0 GFADRO C[C@H](CNC(=O)[C@H]([NH3+])C1CCOCC1)Sc1ccc(Br)cc1 ZINC000261805661 553159883 /nfs/dbraw/zinc/15/98/83/553159883.db2.gz OKXBDMVTMGEGNW-IAQYHMDHSA-N 1 0 387.343 2.800 20 0 GFADRO CN(C(=O)[C@@H]1CC[C@H](C[NH3+])O1)[C@H]1CCSc2ccc(Br)cc21 ZINC000261829631 553160423 /nfs/dbraw/zinc/16/04/23/553160423.db2.gz PWZZWRIQGVHPEU-XBFCOCLRSA-N 1 0 385.327 2.951 20 0 GFADRO C[C@]([NH3+])(C(=O)NCCc1cn2c(n1)CCCC2)c1ccc(Br)cc1 ZINC000261841346 553160671 /nfs/dbraw/zinc/16/06/71/553160671.db2.gz UZFDZIYZEIUHKI-GOSISDBHSA-N 1 0 391.313 2.515 20 0 GFADRO Cc1c(C(=O)N2CC[C@@H](C)C[C@H]2C[NH3+])nnn1-c1cccc(Br)c1 ZINC000261854188 553161110 /nfs/dbraw/zinc/16/11/10/553161110.db2.gz QRYQMCKVMXZATM-ABAIWWIYSA-N 1 0 392.301 2.538 20 0 GFADRO COC(=O)c1cc(CNC(=O)[C@](C)([NH3+])c2ccc(Br)cc2)oc1C ZINC000261884945 553161557 /nfs/dbraw/zinc/16/15/57/553161557.db2.gz ZNJBPOPEFQZXNA-QGZVFWFLSA-N 1 0 395.253 2.627 20 0 GFADRO C[NH2+]C[C@H]1CCCN(S(=O)(=O)c2cccc(Br)c2Cl)C1 ZINC000261975976 553163968 /nfs/dbraw/zinc/16/39/68/553163968.db2.gz BXZXDVIFZUSYMG-SNVBAGLBSA-N 1 0 381.723 2.723 20 0 GFADRO O=S(=O)(NCC[C@@H]1CCC[NH2+]C1)c1cccc(Br)c1Cl ZINC000262033842 553164683 /nfs/dbraw/zinc/16/46/83/553164683.db2.gz KDGKSPCZITWWOD-JTQLQIEISA-N 1 0 381.723 2.771 20 0 GFADRO [NH3+][C@@H]1CCC[C@H]2CN(Cc3ccc(Br)cc3N3CCOCC3)C[C@H]21 ZINC000262040514 553164858 /nfs/dbraw/zinc/16/48/58/553164858.db2.gz YGXKRAMEKSXBLI-BMGDILEWSA-N 1 0 394.357 2.845 20 0 GFADRO COCC1(CNS(=O)(=O)c2cc3cc(Cl)ccc3s2)CC[NH2+]CC1 ZINC000262066048 553165128 /nfs/dbraw/zinc/16/51/28/553165128.db2.gz RQKDVVDHCKVJDX-UHFFFAOYSA-N 1 0 388.942 2.849 20 0 GFADRO O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(SC(F)F)cc1 ZINC000262181099 553166791 /nfs/dbraw/zinc/16/67/91/553166791.db2.gz ZBMAWVUXBYMTED-GFCCVEGCSA-N 1 0 383.386 2.567 20 0 GFADRO CCN(Cc1cc(Br)ccc1F)C(=O)[C@H]([NH2+]C)c1cnn(C)c1 ZINC000262248047 553167932 /nfs/dbraw/zinc/16/79/32/553167932.db2.gz SHVKDBMDTRUNLG-OAHLLOKOSA-N 1 0 383.265 2.631 20 0 GFADRO [NH3+]CCc1nc(C(=O)N2CCCN(Cc3ccc(Cl)cc3)CC2)cs1 ZINC000262325529 553169353 /nfs/dbraw/zinc/16/93/53/553169353.db2.gz DJFDNXRELARMRT-UHFFFAOYSA-N 1 0 378.929 2.646 20 0 GFADRO COCC1(C(=O)N2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)CC[NH2+]CC1 ZINC000262443888 553170888 /nfs/dbraw/zinc/17/08/88/553170888.db2.gz YJMKNJPLMKIKJF-MRXNPFEDSA-N 1 0 387.307 2.910 20 0 GFADRO C[C@H]1C[C@@H](C(=O)NC[C@H]2CCN(c3ccc(Br)cc3)C2)CC[NH2+]1 ZINC000262450456 553170972 /nfs/dbraw/zinc/17/09/72/553170972.db2.gz UQCLCQFZQPAKBT-ZNMIVQPWSA-N 1 0 380.330 2.780 20 0 GFADRO Cc1ccc(Cl)cc1N1CC[C@H](CNC(=O)c2csc(CC[NH3+])n2)C1 ZINC000262423754 553170995 /nfs/dbraw/zinc/17/09/95/553170995.db2.gz VJJBKTKNUHAEAS-CYBMUJFWSA-N 1 0 378.929 2.862 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000262585994 553173052 /nfs/dbraw/zinc/17/30/52/553173052.db2.gz OPJZAQCPHHBGIB-CQSZACIVSA-N 1 0 386.583 2.794 20 0 GFADRO O=C(N[C@@H]1CCc2c1cccc2Br)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000262703509 553173975 /nfs/dbraw/zinc/17/39/75/553173975.db2.gz CSBLZGCNJAOXJQ-MLGOLLRUSA-N 1 0 389.297 2.987 20 0 GFADRO CCOc1ccc(Br)cc1CN(C(=O)C[C@H](C[NH3+])OC)C1CC1 ZINC000262766277 553175179 /nfs/dbraw/zinc/17/51/79/553175179.db2.gz HHZFQUGOPXAZAH-OAHLLOKOSA-N 1 0 385.302 2.703 20 0 GFADRO [NH3+]C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1Br)C1CCCC1 ZINC000262786260 553175732 /nfs/dbraw/zinc/17/57/32/553175732.db2.gz QJZWEXWPHPSADH-GFCCVEGCSA-N 1 0 381.723 2.898 20 0 GFADRO Cc1cc(Br)c(O)c(NC(=O)c2ccn([C@H]3CCC[NH2+]C3)n2)c1 ZINC000262774043 553175799 /nfs/dbraw/zinc/17/57/99/553175799.db2.gz MPVXVHFMXUSNTI-NSHDSACASA-N 1 0 379.258 2.836 20 0 GFADRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)CCc1nc(-c2cc(Br)cs2)no1 ZINC000262840804 553176926 /nfs/dbraw/zinc/17/69/26/553176926.db2.gz RIAQLLZWZUQROH-KOLCDFICSA-N 1 0 399.314 2.607 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)c2ccc(Cl)c(I)c2)CC[NH2+]1 ZINC000262955451 553179424 /nfs/dbraw/zinc/17/94/24/553179424.db2.gz VVXPUTUGZUEVGG-PSASIEDQSA-N 1 0 378.641 2.815 20 0 GFADRO COc1cc(Br)c(CNC(=O)[C@H]2CCCC[C@@]2(C)[NH3+])cc1OC ZINC000263106908 553182611 /nfs/dbraw/zinc/18/26/11/553182611.db2.gz ZYBYFGAZFAIHKK-SJKOYZFVSA-N 1 0 385.302 2.990 20 0 GFADRO C[C@]1([NH3+])CCCC[C@@H]1C(=O)NCc1nnc(-c2ccc(Br)cc2)[nH]1 ZINC000263234385 553184968 /nfs/dbraw/zinc/18/49/68/553184968.db2.gz NVFUCMSABCEFRF-DYVFJYSZSA-N 1 0 392.301 2.758 20 0 GFADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)Cc1c(Cl)cccc1Cl ZINC000263642121 553189806 /nfs/dbraw/zinc/18/98/06/553189806.db2.gz AXWGWXLOCKIFKW-INIZCTEOSA-N 1 0 386.323 2.595 20 0 GFADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000263689371 553191362 /nfs/dbraw/zinc/19/13/62/553191362.db2.gz MIJWJVRLNSZVAH-INIZCTEOSA-N 1 0 386.323 2.595 20 0 GFADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000263758526 553192825 /nfs/dbraw/zinc/19/28/25/553192825.db2.gz YKWMIKRXOGSLHR-INIZCTEOSA-N 1 0 386.323 2.595 20 0 GFADRO COCCC[NH+]1CCC(NC(=O)Nc2nnc(-c3ccsc3)s2)CC1 ZINC000263760749 553193092 /nfs/dbraw/zinc/19/30/92/553193092.db2.gz LHBDRFHCSARGBI-UHFFFAOYSA-N 1 0 381.527 2.889 20 0 GFADRO CNC(=O)C[NH+]1CCC(Nc2ccnc3c(Br)cccc23)CC1 ZINC000263811234 553193961 /nfs/dbraw/zinc/19/39/61/553193961.db2.gz NKRPATLNBHSZDH-UHFFFAOYSA-N 1 0 377.286 2.620 20 0 GFADRO CCCOC[C@H](Cc1cccc(Br)c1)NC(=O)NCC[C@H](C)[NH3+] ZINC000418033144 563896387 /nfs/dbraw/zinc/89/63/87/563896387.db2.gz REEQGXHNLKAILF-BBRMVZONSA-N 1 0 386.334 2.823 20 0 GFADRO CCCOC[C@@H](Cc1cccc(Br)c1)NC(=O)NCC(C)(C)[NH3+] ZINC000418031886 563896471 /nfs/dbraw/zinc/89/64/71/563896471.db2.gz OZIIEFHVMMTCOF-OAHLLOKOSA-N 1 0 386.334 2.823 20 0 GFADRO CC[C@@H]([NH2+]Cc1cc(I)c(OC)c(OC)c1)[C@H](C)O ZINC000449541855 564189562 /nfs/dbraw/zinc/18/95/62/564189562.db2.gz LATLOIIVNULABD-JOYOIKCWSA-N 1 0 379.238 2.557 20 0 GFADRO C[C@@H]1[C@H](C)N(C[C@H](O)COc2ccc(Cl)cc2Br)CC[N@H+]1C ZINC000540045811 564237874 /nfs/dbraw/zinc/23/78/74/564237874.db2.gz XWTHMFSZHVOVKA-DYEKYZERSA-N 1 0 391.737 2.867 20 0 GFADRO C[NH2+][C@@H](C)Cc1noc([C@H](C)Oc2ccc(I)cc2)n1 ZINC000566213850 564317166 /nfs/dbraw/zinc/31/71/66/564317166.db2.gz FTIUBPLRXSEEHE-UWVGGRQHSA-N 1 0 387.221 2.965 20 0 GFADRO CC[N@@H+]1CCC[C@H](CNC(=O)c2ccc(F)c(I)c2)C1 ZINC000544554776 564388656 /nfs/dbraw/zinc/38/86/56/564388656.db2.gz UYBQGACRHDBMLA-LLVKDONJSA-N 1 0 390.240 2.892 20 0 GFADRO Cc1nc(S(=O)(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)sc1Br ZINC000544655255 564392449 /nfs/dbraw/zinc/39/24/49/564392449.db2.gz GJUVRVOGJFYTHD-JTQLQIEISA-N 1 0 396.376 2.565 20 0 GFADRO C[C@H](CCCC[NH3+])NC(=O)NC(C)(C)COc1ncccc1Br ZINC000418675489 563221987 /nfs/dbraw/zinc/22/19/87/563221987.db2.gz RAQZHVVYMOBMBY-GFCCVEGCSA-N 1 0 387.322 2.818 20 0 GFADRO C[C@H](CC[NH3+])NC(=O)N1CCC[C@H]1c1ccc(I)cc1 ZINC000418537192 563219836 /nfs/dbraw/zinc/21/98/36/563219836.db2.gz CPCMNNGPBMNYHW-RISCZKNCSA-N 1 0 387.265 2.875 20 0 GFADRO C[C@H]([NH2+][C@H]1CCOC[C@@H]1C)C(=O)Nc1ccc(I)cc1 ZINC000277986271 563235761 /nfs/dbraw/zinc/23/57/61/563235761.db2.gz UGFHKWCTNJMMCE-MJVIPROJSA-N 1 0 388.249 2.633 20 0 GFADRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)Nc1cccc(Cl)c1Br ZINC000421294136 563305745 /nfs/dbraw/zinc/30/57/45/563305745.db2.gz FVFHVFMVNSFEEQ-SNVBAGLBSA-N 1 0 388.693 2.594 20 0 GFADRO CCC[C@@H](CCO)C[NH2+][C@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000280541762 563342522 /nfs/dbraw/zinc/34/25/22/563342522.db2.gz HZYCEMZMNXFDQW-NEPJUHHUSA-N 1 0 393.347 2.546 20 0 GFADRO COc1cc(I)c(Cl)cc1CN[C@@H](C)C1C[NH2+]C1 ZINC000423092536 563354354 /nfs/dbraw/zinc/35/43/54/563354354.db2.gz CGJVBRYQQKHFFC-QMMMGPOBSA-N 1 0 380.657 2.651 20 0 GFADRO CSc1ccc([C@H](CNC(=O)C(=O)Nc2cc(C)ns2)[NH+](C)C)cc1 ZINC000294701513 563213075 /nfs/dbraw/zinc/21/30/75/563213075.db2.gz WDSMVOYASFWNBN-AWEZNQCLSA-N 1 0 378.523 2.531 20 0 GFADRO O=C(N[C@@H]1CC[NH2+]C1)N[C@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC000418219364 563214244 /nfs/dbraw/zinc/21/42/44/563214244.db2.gz NFVAFAKHPBOIDZ-ABAIWWIYSA-N 1 0 377.286 2.969 20 0 GFADRO CC[NH2+]CCNC(=O)N1CCC(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000418317522 563215709 /nfs/dbraw/zinc/21/57/09/563215709.db2.gz MYXOUSNYVORXTO-UHFFFAOYSA-N 1 0 387.311 2.963 20 0 GFADRO [NH3+]C1(CNC(=O)NC[C@H](O)COc2cccc(Cl)c2Cl)CCCCC1 ZINC000418294508 563215809 /nfs/dbraw/zinc/21/58/09/563215809.db2.gz HOCOXCXGJIUIPT-LBPRGKRZSA-N 1 0 390.311 2.694 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[N@@H+]1CCC[C@@H]1C[C@@H](C)O ZINC000294772911 563216232 /nfs/dbraw/zinc/21/62/32/563216232.db2.gz JNNJQHZAKLOMDW-DVOMOZLQSA-N 1 0 399.329 2.698 20 0 GFADRO CC(C)[C@@H]([NH3+])CNC(=O)N1CCC(Oc2cccc(Br)c2)CC1 ZINC000418384293 563216422 /nfs/dbraw/zinc/21/64/22/563216422.db2.gz KBKLQZMZRKKGCO-INIZCTEOSA-N 1 0 384.318 2.985 20 0 GFADRO C[NH2+]C[C@@H](C)CNC(=O)N1CCN([C@H](C)c2ccc(Br)cc2)CC1 ZINC000418359570 563216485 /nfs/dbraw/zinc/21/64/85/563216485.db2.gz ALTQKTHADFXETO-HUUCEWRRSA-N 1 0 397.361 2.693 20 0 GFADRO C[NH2+]C[C@@H](C)CNC(=O)N1CCC(Nc2cccc(Br)c2)CC1 ZINC000418401715 563217019 /nfs/dbraw/zinc/21/70/19/563217019.db2.gz YPOXXUYHOKYFMV-CYBMUJFWSA-N 1 0 383.334 2.891 20 0 GFADRO [NH3+]C[C@@H](NC(=O)N1CCC[C@H]1C(=O)Nc1cc(Cl)cc(Cl)c1)C1CC1 ZINC000418406681 563217181 /nfs/dbraw/zinc/21/71/81/563217181.db2.gz SEQPPIDBUPNPEG-CABCVRRESA-N 1 0 385.295 2.843 20 0 GFADRO C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)N[C@@H](C[NH3+])C2CC2)CC1 ZINC000418393249 563217307 /nfs/dbraw/zinc/21/73/07/563217307.db2.gz FAUVKVRYCLOJBD-DYVFJYSZSA-N 1 0 395.345 2.575 20 0 GFADRO [NH3+]C1CCC(NC(=O)N[C@@H](CO)c2ccc(Cl)cc2C(F)(F)F)CC1 ZINC000418394529 563217312 /nfs/dbraw/zinc/21/73/12/563217312.db2.gz ZSPOIVSJBXYEJC-MGULZYLOSA-N 1 0 379.810 2.961 20 0 GFADRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1c(Br)cnn1C ZINC000294807641 563217553 /nfs/dbraw/zinc/21/75/53/563217553.db2.gz BURVQYWPUBBFSD-BBRMVZONSA-N 1 0 391.313 2.823 20 0 GFADRO COCC[NH2+]CCNC(=O)N1CCCC[C@H]1Cc1ccccc1Br ZINC000418508853 563218432 /nfs/dbraw/zinc/21/84/32/563218432.db2.gz NMQVJBVGRJOTQJ-INIZCTEOSA-N 1 0 398.345 2.792 20 0 GFADRO C[C@H](CC[NH3+])NC(=O)N1CCC[C@H]1c1ccccc1I ZINC000418522125 563219569 /nfs/dbraw/zinc/21/95/69/563219569.db2.gz JAYDOCZNNFVFCP-RISCZKNCSA-N 1 0 387.265 2.875 20 0 GFADRO C[C@H](C[NH3+])NC(=O)N1CCC[C@H]1c1nc(-c2ccccc2Br)no1 ZINC000418514399 563219673 /nfs/dbraw/zinc/21/96/73/563219673.db2.gz OCXBPHVTVPORGL-MFKMUULPSA-N 1 0 394.273 2.693 20 0 GFADRO [NH3+][C@@H]1CCC[C@H](NC(=O)N2CCO[C@@H](c3cccc(Br)c3)C2)C1 ZINC000418588671 563221016 /nfs/dbraw/zinc/22/10/16/563221016.db2.gz RXHDDWZYRFOAJG-OWCLPIDISA-N 1 0 382.302 2.802 20 0 GFADRO C[C@@H](C[NH3+])NC(=O)N1CCC[C@@H]1c1nc(-c2ccccc2Br)no1 ZINC000418618930 563221578 /nfs/dbraw/zinc/22/15/78/563221578.db2.gz OCXBPHVTVPORGL-GXFFZTMASA-N 1 0 394.273 2.693 20 0 GFADRO C[C@H]([NH3+])[C@H](C)NC(=O)N1CCN([C@@H](C)c2ccc(Br)cc2)CC1 ZINC000418687994 563221977 /nfs/dbraw/zinc/22/19/77/563221977.db2.gz ANSAJDACPBCXQP-IHRRRGAJSA-N 1 0 383.334 2.573 20 0 GFADRO [NH3+][C@@H]1CCC[C@H](CNC(=O)NC[C@@H](O)COc2cccc(Cl)c2Cl)C1 ZINC000418711801 563222575 /nfs/dbraw/zinc/22/25/75/563222575.db2.gz GBAYBOPCANORKW-YNEHKIRRSA-N 1 0 390.311 2.550 20 0 GFADRO Cc1c(Br)cccc1C(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000369727799 563223634 /nfs/dbraw/zinc/22/36/34/563223634.db2.gz REPWGAOUTAERQE-INIZCTEOSA-N 1 0 394.357 2.998 20 0 GFADRO C[C@@H](NC(=O)c1c(Br)cnn1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000294964525 563223807 /nfs/dbraw/zinc/22/38/07/563223807.db2.gz LGQYYUIGDRDSOS-UKRRQHHQSA-N 1 0 391.313 2.823 20 0 GFADRO [NH3+]C[C@H](NC(=O)C(=O)NCCc1cccc(Cl)c1Cl)C1CCCCC1 ZINC000418764990 563225149 /nfs/dbraw/zinc/22/51/49/563225149.db2.gz OYMVWZAATJIGHC-HNNXBMFYSA-N 1 0 386.323 2.676 20 0 GFADRO O=C(N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)N1CCN(Cc2ccc(Cl)s2)CC1 ZINC000418796487 563225796 /nfs/dbraw/zinc/22/57/96/563225796.db2.gz RHTFNDYNUAWFMM-SOUVJXGZSA-N 1 0 382.961 2.617 20 0 GFADRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)N[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000418823444 563226394 /nfs/dbraw/zinc/22/63/94/563226394.db2.gz YDHJNUJVBRPTAW-NHJBHEPMSA-N 1 0 384.307 2.599 20 0 GFADRO O=C1NCCC[C@@H]1[NH2+]Cc1cc(Br)ccc1OCc1ccccn1 ZINC000295048334 563226511 /nfs/dbraw/zinc/22/65/11/563226511.db2.gz NFNXYRLNVFIMKQ-INIZCTEOSA-N 1 0 390.281 2.791 20 0 GFADRO C[C@@H]([NH3+])C1CCN(C(=O)C(=O)N[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)CC1 ZINC000418821321 563226591 /nfs/dbraw/zinc/22/65/91/563226591.db2.gz VAOOPTOJCLSDQA-AKWBHNSASA-N 1 0 384.307 2.551 20 0 GFADRO C[C@@H](NC(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1)c1cc(F)c(Cl)cc1Cl ZINC000418832701 563226755 /nfs/dbraw/zinc/22/67/55/563226755.db2.gz HNGLIYWEEOWSNE-BMLIUANNSA-N 1 0 388.270 2.522 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000418821200 563226768 /nfs/dbraw/zinc/22/67/68/563226768.db2.gz UUHLBNATBDEREL-SQWYCQTGSA-N 1 0 384.307 2.694 20 0 GFADRO C[C@H](NC(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1)c1cc(F)c(Cl)cc1Cl ZINC000418832721 563227133 /nfs/dbraw/zinc/22/71/33/563227133.db2.gz HNGLIYWEEOWSNE-DYZYQPBXSA-N 1 0 388.270 2.522 20 0 GFADRO [NH3+]C[C@@H]1CC[C@H](NC(=O)C(=O)N[C@H]2C[C@H](c3ccc(Cl)c(Cl)c3)C2)C1 ZINC000418889457 563229239 /nfs/dbraw/zinc/22/92/39/563229239.db2.gz HQUJFDLLSQTSDL-RUZUBIRVSA-N 1 0 384.307 2.599 20 0 GFADRO [NH3+]C[C@H]1CCC[C@H]1NC(=O)C(=O)N[C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000418898542 563229966 /nfs/dbraw/zinc/22/99/66/563229966.db2.gz ZSOOVXQIGSJSOL-BRXULGCHSA-N 1 0 384.307 2.599 20 0 GFADRO C[C@H]1C[N@H+](CCCNC(=O)Cc2sccc2Br)CCCO1 ZINC000295158582 563231612 /nfs/dbraw/zinc/23/16/12/563231612.db2.gz OMFCHSPBXDPJOZ-LBPRGKRZSA-N 1 0 375.332 2.670 20 0 GFADRO COc1ccc(C[NH2+]C[C@@H](O)Cc2cccc(F)c2)c(Br)c1O ZINC000295172047 563232977 /nfs/dbraw/zinc/23/29/77/563232977.db2.gz UJVAQZPDDHSRDQ-AWEZNQCLSA-N 1 0 384.245 2.996 20 0 GFADRO C[C@@H]([NH3+])C1CCN(C(=O)C(=O)N[C@H]2CCc3c2ccc(Cl)c3Cl)CC1 ZINC000419088465 563233237 /nfs/dbraw/zinc/23/32/37/563233237.db2.gz BHHWEBQYYUPQJF-BMIGLBTASA-N 1 0 384.307 2.683 20 0 GFADRO CO[C@H](C[NH2+][C@@H](C(N)=O)c1cccc(Br)c1)Cc1ccccc1 ZINC000419215475 563235446 /nfs/dbraw/zinc/23/54/46/563235446.db2.gz METCUOLIXKQFDY-DLBZAZTESA-N 1 0 377.282 2.823 20 0 GFADRO C[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CCSc3ccc(Cl)cc32)[C@H]1C[NH3+] ZINC000419223211 563235594 /nfs/dbraw/zinc/23/55/94/563235594.db2.gz YFWWJXNFRJNZTI-UGFHNGPFSA-N 1 0 381.929 2.579 20 0 GFADRO Cc1ccc(NC(=O)CN2CC[NH+]([C@H]3CCSC3)CC2)c(Br)c1 ZINC000370200091 563236296 /nfs/dbraw/zinc/23/62/96/563236296.db2.gz UKAIRSQZFQMCTI-AWEZNQCLSA-N 1 0 398.370 2.819 20 0 GFADRO CC[C@H]([NH2+]CC(=O)NCC(=O)Nc1ccccc1Br)[C@@H]1CC1(C)C ZINC000419314960 563237368 /nfs/dbraw/zinc/23/73/68/563237368.db2.gz IYHYVQIQZZENDP-JSGCOSHPSA-N 1 0 396.329 2.918 20 0 GFADRO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1Cc1ncc(-c2ccc(Br)cc2)o1 ZINC000419338816 563237695 /nfs/dbraw/zinc/23/76/95/563237695.db2.gz ZJPWDRVLEGTGPG-ZIAGYGMSSA-N 1 0 394.313 2.991 20 0 GFADRO CC(C)(CNC(=O)C(=O)N[C@H]1CCCC[NH2+]C1)c1ccc(Cl)c(Cl)c1 ZINC000419352045 563238530 /nfs/dbraw/zinc/23/85/30/563238530.db2.gz AEFPTYFIITXNBZ-ZDUSSCGKSA-N 1 0 386.323 2.646 20 0 GFADRO C[C@H]1CN(C(=O)C2(c3cncc(Br)c3)CC2)CC[N@@H+](C2CC2)C1 ZINC000295252497 563238600 /nfs/dbraw/zinc/23/86/00/563238600.db2.gz FFMANAICKSGWIQ-CYBMUJFWSA-N 1 0 378.314 2.818 20 0 GFADRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)NCC(C)(C)c1ccc(Cl)c(Cl)c1 ZINC000419355061 563238768 /nfs/dbraw/zinc/23/87/68/563238768.db2.gz FQHGEQRFDYRJQB-NEPJUHHUSA-N 1 0 386.323 2.583 20 0 GFADRO Cc1ccc([C@@H](CNC(=O)c2c(Br)cnn2C)[NH+]2CCCC2)o1 ZINC000295266897 563239078 /nfs/dbraw/zinc/23/90/78/563239078.db2.gz OCWDESKUQQWTBH-CYBMUJFWSA-N 1 0 381.274 2.651 20 0 GFADRO O=C(NCc1ccccc1Br)N1CCC[C@@H]1C[N@H+]1CCC[C@@H]1CO ZINC000370302489 563239170 /nfs/dbraw/zinc/23/91/70/563239170.db2.gz WUINEAPJMYKFTF-HZPDHXFCSA-N 1 0 396.329 2.580 20 0 GFADRO CCC1([NH2+]CC(=O)N(Cc2cccs2)[C@@H]2CCS(=O)(=O)C2)CCCC1 ZINC000295259023 563239340 /nfs/dbraw/zinc/23/93/40/563239340.db2.gz REPCIGOLRVKGJT-OAHLLOKOSA-N 1 0 384.567 2.576 20 0 GFADRO C[C@@H]1CN(C(=O)N[C@H]2CCSc3ccc(Cl)cc32)[C@@H](C)C[N@@H+]1CCO ZINC000419412844 563240563 /nfs/dbraw/zinc/24/05/63/563240563.db2.gz ROSQCVJECZHZEZ-WWGRRREGSA-N 1 0 383.945 2.973 20 0 GFADRO C[C@@H](CNC(=O)C(=O)NCCC1=CC[NH2+]CC1)c1c(Cl)cccc1Cl ZINC000419519089 563240888 /nfs/dbraw/zinc/24/08/88/563240888.db2.gz OEEPWRJTDDPBFU-LBPRGKRZSA-N 1 0 384.307 2.639 20 0 GFADRO C[C@@H](CNC(=O)C(=O)NCC[C@H]1CCC[NH2+]C1)c1c(Cl)cccc1Cl ZINC000419512837 563241191 /nfs/dbraw/zinc/24/11/91/563241191.db2.gz DUENESMLJQASMJ-QWHCGFSZSA-N 1 0 386.323 2.719 20 0 GFADRO CCC(CC)(CNC(=O)C(=O)N(C)CC[NH2+]C)c1ccc(Cl)c(Cl)c1 ZINC000419655198 563244470 /nfs/dbraw/zinc/24/44/70/563244470.db2.gz SXQXZAPBJQGLCM-UHFFFAOYSA-N 1 0 388.339 2.845 20 0 GFADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1CN1CCCSCC1 ZINC000295375792 563244587 /nfs/dbraw/zinc/24/45/87/563244587.db2.gz JZOYMIMFJWNRJX-GFCCVEGCSA-N 1 0 387.343 2.901 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+]C[C@H]2CCC(F)(F)C2)cc1Br ZINC000419723533 563248082 /nfs/dbraw/zinc/24/80/82/563248082.db2.gz GHXWVMAUZCPHFY-JTQLQIEISA-N 1 0 383.258 2.622 20 0 GFADRO Cc1sc(Br)nc1C(=O)NCCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000278305194 563249578 /nfs/dbraw/zinc/24/95/78/563249578.db2.gz HSNWFFCCKFSXIL-QWRGUYRKSA-N 1 0 390.347 2.833 20 0 GFADRO CC[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)N1CCC(C[NH3+])CC1 ZINC000419758367 563250398 /nfs/dbraw/zinc/25/03/98/563250398.db2.gz VYZPYDQUANDTJF-HNNXBMFYSA-N 1 0 386.323 2.628 20 0 GFADRO COc1ccc(Br)c(C(=O)NCCC[NH2+]C[C@H]2CCSC2)c1 ZINC000278343934 563250830 /nfs/dbraw/zinc/25/08/30/563250830.db2.gz HBLXBIYZEIIVLT-GFCCVEGCSA-N 1 0 387.343 2.920 20 0 GFADRO C[C@H](NC(=O)NCC1([NH+](C)C)CCOCC1)c1nc(C(F)(F)F)cs1 ZINC000278355142 563251928 /nfs/dbraw/zinc/25/19/28/563251928.db2.gz AGIUAWIMGZXUTA-JTQLQIEISA-N 1 0 380.436 2.633 20 0 GFADRO CS[C@H]1CN(C(=O)c2sc(-c3c(C)noc3C)nc2C)C[C@@H]1[NH+](C)C ZINC000295539350 563252404 /nfs/dbraw/zinc/25/24/04/563252404.db2.gz ODGDHBUXSRGFGJ-STQMWFEESA-N 1 0 380.539 2.841 20 0 GFADRO C[C@@H]1C[N@H+](CCCNC(=O)/C=C/c2c(Cl)nc3sccn23)CCCO1 ZINC000278401708 563253551 /nfs/dbraw/zinc/25/35/51/563253551.db2.gz DNSOWQSHHGRTAT-MUBLQREKSA-N 1 0 382.917 2.680 20 0 GFADRO CS[C@H](CO)[C@H](C)NC(=O)C1CC[NH+](Cc2ccc(Cl)s2)CC1 ZINC000370735598 563254147 /nfs/dbraw/zinc/25/41/47/563254147.db2.gz WGWOWKFHBACDFG-SMDDNHRTSA-N 1 0 376.975 2.842 20 0 GFADRO C[C@H]1C[N@H+](CCCNC(=O)Cc2ccc(Br)s2)CCCO1 ZINC000278412773 563254509 /nfs/dbraw/zinc/25/45/09/563254509.db2.gz FKOBVMROSDVKTJ-LBPRGKRZSA-N 1 0 375.332 2.670 20 0 GFADRO CSc1ccc([C@@H](CN2C(=O)N[C@@H](CC(F)(F)F)C2=O)[NH+](C)C)cc1 ZINC000419971046 563254617 /nfs/dbraw/zinc/25/46/17/563254617.db2.gz VXQYOGYHNAXKRG-QWHCGFSZSA-N 1 0 375.416 2.884 20 0 GFADRO CSc1ccc([C@H](CN2C(=O)N[C@H](CC(F)(F)F)C2=O)[NH+](C)C)cc1 ZINC000419971044 563254680 /nfs/dbraw/zinc/25/46/80/563254680.db2.gz VXQYOGYHNAXKRG-OLZOCXBDSA-N 1 0 375.416 2.884 20 0 GFADRO O=C(CN1CCC[C@H]1c1nccs1)N1CCN(Cc2cccs2)CC1 ZINC000370792488 563255724 /nfs/dbraw/zinc/25/57/24/563255724.db2.gz KZOBGYBYDZKYTL-INIZCTEOSA-N 1 0 376.551 2.686 20 0 GFADRO Cc1ccc(NC(=O)N2CCC[N@@H+](C3CCOCC3)CC2)c(Br)n1 ZINC000370806504 563256723 /nfs/dbraw/zinc/25/67/23/563256723.db2.gz SQMKPQFDZRFXDA-UHFFFAOYSA-N 1 0 397.317 2.871 20 0 GFADRO O=C(C[NH2+]C1(CO)CCOCC1)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000370818815 563256746 /nfs/dbraw/zinc/25/67/46/563256746.db2.gz HWHFNEZQKWAWDC-MRXNPFEDSA-N 1 0 387.307 2.788 20 0 GFADRO C[C@H](c1ccccc1Br)N(C)C(=O)C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000420050117 563257054 /nfs/dbraw/zinc/25/70/54/563257054.db2.gz GZSMMYXTXWQPSN-WBMJQRKESA-N 1 0 396.329 2.602 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+][C@]1(CCO)CCOC1 ZINC000278476068 563258162 /nfs/dbraw/zinc/25/81/62/563258162.db2.gz INJNUSPEIGNNHT-QGZVFWFLSA-N 1 0 380.286 2.574 20 0 GFADRO C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)C(=O)NCCC1=CC[NH2+]CC1 ZINC000420160013 563258984 /nfs/dbraw/zinc/25/89/84/563258984.db2.gz DCRWQLJLYFUOTI-LBPRGKRZSA-N 1 0 384.307 2.939 20 0 GFADRO C[C@H]1C[N@H+](CCCNC(=O)c2cccnc2SC(F)(F)F)CCCO1 ZINC000278519099 563260327 /nfs/dbraw/zinc/26/03/27/563260327.db2.gz MRNXVXLHNSQSNE-LBPRGKRZSA-N 1 0 377.432 2.924 20 0 GFADRO Cc1ccc(-n2ncc(N3CC[C@@H]4C[NH2+]C[C@H]4C3)c(Cl)c2=O)cc1Cl ZINC000420268964 563261096 /nfs/dbraw/zinc/26/10/96/563261096.db2.gz XYDYXEMRAIBWBG-OLZOCXBDSA-N 1 0 379.291 2.893 20 0 GFADRO NC(=O)[C@H](c1ccc(Br)cc1F)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000420337607 563261714 /nfs/dbraw/zinc/26/17/14/563261714.db2.gz ODJKOVVLEAFMAJ-CVEARBPZSA-N 1 0 384.293 2.579 20 0 GFADRO C[C@H]1[C@@H]([NH3+])CCN1CC(=O)Nc1ccc(Br)c(C(F)(F)F)c1 ZINC000420361074 563262861 /nfs/dbraw/zinc/26/28/61/563262861.db2.gz XWLDPBDWBKDUNQ-UFBFGSQYSA-N 1 0 380.208 2.828 20 0 GFADRO C[C@@H]1CCN(CC(=O)Nc2c(F)cc(F)cc2Br)C[C@@H]1C[NH3+] ZINC000420395906 563262989 /nfs/dbraw/zinc/26/29/89/563262989.db2.gz DTHRZNBETXEWFA-ZJUUUORDSA-N 1 0 376.245 2.583 20 0 GFADRO C[C@@H](C[NH2+]C[C@@H](O)CS(=O)(=O)c1cccs1)c1cc(F)cc(F)c1 ZINC000295808268 563263188 /nfs/dbraw/zinc/26/31/88/563263188.db2.gz TXUFEKKCRIAUMW-XHDPSFHLSA-N 1 0 375.462 2.554 20 0 GFADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000278612985 563263276 /nfs/dbraw/zinc/26/32/76/563263276.db2.gz JQXPOFYHDVTXFD-MCIONIFRSA-N 1 0 383.945 2.564 20 0 GFADRO C[N@H+](CCO)C1CCN(C(=O)Nc2cc3c(cc2Br)CCC3)CC1 ZINC000278621442 563263362 /nfs/dbraw/zinc/26/33/62/563263362.db2.gz LXRLZTGBGGVSRP-UHFFFAOYSA-N 1 0 396.329 2.858 20 0 GFADRO Cc1c(S(=O)(=O)N[C@H]2CC[NH2+]CC2(C)C)cnn1-c1ccc(Cl)cc1 ZINC000420457135 563263598 /nfs/dbraw/zinc/26/35/98/563263598.db2.gz HLTPYGOYUOODCC-INIZCTEOSA-N 1 0 382.917 2.501 20 0 GFADRO COc1cc(Br)cc(S(=O)(=O)N2C[C@@H]([NH3+])Cc3ccccc32)c1 ZINC000420474026 563265061 /nfs/dbraw/zinc/26/50/61/563265061.db2.gz IZQLKRCHFQWUCM-ZDUSSCGKSA-N 1 0 397.294 2.536 20 0 GFADRO Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c(Br)c1 ZINC000420470762 563265164 /nfs/dbraw/zinc/26/51/64/563265164.db2.gz XNVIDQHXAFBYGJ-DZGCQCFKSA-N 1 0 387.343 2.910 20 0 GFADRO COc1cc(Br)c(C(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)cc1OC ZINC000295877561 563266422 /nfs/dbraw/zinc/26/64/22/563266422.db2.gz ZNKMALAGXHICNL-NSHDSACASA-N 1 0 383.286 2.847 20 0 GFADRO COc1cc(C[NH2+]CCC[C@@H](C)O)cc(I)c1OC ZINC000278685416 563266420 /nfs/dbraw/zinc/26/64/20/563266420.db2.gz PKFJMAHEHFNGCY-SNVBAGLBSA-N 1 0 379.238 2.559 20 0 GFADRO COc1ccc(CN2CC[N@@H+](C3CCOCC3)C[C@H]2C)c(Br)c1O ZINC000278706476 563267996 /nfs/dbraw/zinc/26/79/96/563267996.db2.gz PMMMSOKHHPUXSV-CYBMUJFWSA-N 1 0 399.329 2.848 20 0 GFADRO C[C@H]1CN(C(=O)c2ccc(Br)s2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000371219997 563268986 /nfs/dbraw/zinc/26/89/86/563268986.db2.gz OJEGDMHWYORAIR-QWHCGFSZSA-N 1 0 386.359 2.609 20 0 GFADRO CN(Cc1ccc(Cl)s1)C(=O)CN1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000371299413 563271726 /nfs/dbraw/zinc/27/17/26/563271726.db2.gz GPVAQOQBIDSMJK-FVQBIDKESA-N 1 0 385.961 2.543 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2cc(F)ccc2OC(F)F)C[C@@H]1C ZINC000420673937 563272367 /nfs/dbraw/zinc/27/23/67/563272367.db2.gz MHNPICBUKHPEGU-WCQYABFASA-N 1 0 380.432 2.920 20 0 GFADRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1ncsc1C(F)(F)F ZINC000278822564 563272382 /nfs/dbraw/zinc/27/23/82/563272382.db2.gz IZSQQPPZDPPJGJ-VXGBXAGGSA-N 1 0 377.432 2.660 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000296106033 563275096 /nfs/dbraw/zinc/27/50/96/563275096.db2.gz HBPUQOJMFOGIPF-GOOCMWNKSA-N 1 0 394.313 2.691 20 0 GFADRO CN(C)S(=O)(=O)c1ccc(OCC[N@@H+]2CC[C@H](CC(F)(F)F)C2)cc1 ZINC000278914874 563276166 /nfs/dbraw/zinc/27/61/66/563276166.db2.gz WDHCGIVDHPWRHP-CYBMUJFWSA-N 1 0 380.432 2.590 20 0 GFADRO COc1ccc(CN2CCC[C@@H](C[NH+]3CCN(C)CC3)C2)cc1Br ZINC000371426222 563276580 /nfs/dbraw/zinc/27/65/80/563276580.db2.gz WGLSYVNWCIDXNK-KRWDZBQOSA-N 1 0 396.373 2.917 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2Cc1cnc2ccc(Br)cn12 ZINC000371470950 563278580 /nfs/dbraw/zinc/27/85/80/563278580.db2.gz PTKAKHBOEHHRAF-DJIMGWMZSA-N 1 0 393.329 2.780 20 0 GFADRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1S(=O)(=O)c1cc(F)ccc1OC(F)F ZINC000420726191 563279640 /nfs/dbraw/zinc/27/96/40/563279640.db2.gz MWCDKSJVZRDHPH-WCQYABFASA-N 1 0 378.416 2.674 20 0 GFADRO CN(C)c1ncc(C[NH2+][C@H]2CCN(c3ccccc3Br)C2)cn1 ZINC000371598760 563282545 /nfs/dbraw/zinc/28/25/45/563282545.db2.gz IVTUSUKLQQTMFK-AWEZNQCLSA-N 1 0 376.302 2.674 20 0 GFADRO COc1ncc(C[NH2+][C@H]2CCCc3ccc(S(N)(=O)=O)cc32)cc1Cl ZINC000296431379 563287176 /nfs/dbraw/zinc/28/71/76/563287176.db2.gz LXDOUEQDKKDEPU-INIZCTEOSA-N 1 0 381.885 2.558 20 0 GFADRO COc1cc(/C=C/C(=O)N2CC[C@H]3CC[N@H+](C)[C@@H]3C2)cc(Br)c1O ZINC000371834851 563288733 /nfs/dbraw/zinc/28/87/33/563288733.db2.gz NSMOPTVXOPCUQX-PRXHZCDDSA-N 1 0 395.297 2.729 20 0 GFADRO CS(=O)(=O)c1cccc(Cl)c1C[NH2+]C[C@@H]1CC(=O)Nc2ccccc21 ZINC000371887635 563290274 /nfs/dbraw/zinc/29/02/74/563290274.db2.gz IFDXCZIYLXMPFO-LBPRGKRZSA-N 1 0 378.881 2.959 20 0 GFADRO C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+]1C[C@H](C)C[C@@H](CO)C1 ZINC000420931418 563291513 /nfs/dbraw/zinc/29/15/13/563291513.db2.gz DHOLGJTVHSYIHQ-IJEWVQPXSA-N 1 0 383.330 2.746 20 0 GFADRO C[C@H](O)c1ccc(C[NH2+]C2CCN(S(=O)(=O)c3cccs3)CC2)cc1 ZINC000371979886 563292772 /nfs/dbraw/zinc/29/27/72/563292772.db2.gz USMCQIWCRRDCBA-AWEZNQCLSA-N 1 0 380.535 2.744 20 0 GFADRO COC1([C@H](C)[NH2+]C[C@H](O)COc2ccc(Cl)cc2Cl)CCOCC1 ZINC000421031895 563294202 /nfs/dbraw/zinc/29/42/02/563294202.db2.gz KQPIGPJZWPFDKZ-JSGCOSHPSA-N 1 0 378.296 2.907 20 0 GFADRO O=C1CCC(=O)N1CC[N@H+]1CCCC[C@H]1Cc1cccc(Br)c1 ZINC000421035877 563294633 /nfs/dbraw/zinc/29/46/33/563294633.db2.gz ILNUGWOEYMORDX-INIZCTEOSA-N 1 0 379.298 2.995 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C[N@@H+]1CC[C@]2(CNC(=O)C2)C1 ZINC000279397976 563294969 /nfs/dbraw/zinc/29/49/69/563294969.db2.gz KRZHBHPOFAODGI-SFHVURJKSA-N 1 0 389.297 2.655 20 0 GFADRO Cc1nc(CN2CCC[C@H]([NH2+]Cc3cc(O)ccc3Br)C2)no1 ZINC000372106241 563295526 /nfs/dbraw/zinc/29/55/26/563295526.db2.gz WZQKENZKRSTSSL-ZDUSSCGKSA-N 1 0 381.274 2.600 20 0 GFADRO COC(=O)C[C@@H]1CC[C@H]([NH2+][C@@H](C(N)=O)c2cccc(Br)c2)[C@H]1C ZINC000279609925 563302702 /nfs/dbraw/zinc/30/27/02/563302702.db2.gz FMKJTNUVNYSNKS-KFYUAXIPSA-N 1 0 383.286 2.543 20 0 GFADRO Cc1cccc(NC(=O)C(=O)NC2CCC([NH+](C)C)CC2)c1Br ZINC000421289177 563305091 /nfs/dbraw/zinc/30/50/91/563305091.db2.gz OXAVPMXRMGPTGM-UHFFFAOYSA-N 1 0 382.302 2.685 20 0 GFADRO Cc1ccc(-c2csc(NC(=O)C(=O)NC[C@@H](C)[N@H+](C)C3CC3)n2)s1 ZINC000279681131 563306324 /nfs/dbraw/zinc/30/63/24/563306324.db2.gz SGDIOBBDKWKRKC-SNVBAGLBSA-N 1 0 378.523 2.717 20 0 GFADRO CCOc1c(Cl)cc(NC(=O)C(=O)N(C)C[C@H]2CCC[N@@H+]2C)cc1Cl ZINC000421302402 563306732 /nfs/dbraw/zinc/30/67/32/563306732.db2.gz QXQWYSTXVJIBKW-GFCCVEGCSA-N 1 0 388.295 2.883 20 0 GFADRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000421300807 563306760 /nfs/dbraw/zinc/30/67/60/563306760.db2.gz OZYPOWVIDMEWCO-NSHDSACASA-N 1 0 377.794 2.850 20 0 GFADRO Cc1nc2ccc(Br)cn2c1C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000279725048 563308031 /nfs/dbraw/zinc/30/80/31/563308031.db2.gz CBYDOYQHGCTHRK-DZGCQCFKSA-N 1 0 391.313 2.962 20 0 GFADRO CC(C)[N@@H+](Cc1ccc(Br)c(Br)c1)C[C@@H](O)CO ZINC000421409933 563309467 /nfs/dbraw/zinc/30/94/67/563309467.db2.gz NUXNYQWYZZRGKO-LLVKDONJSA-N 1 0 381.108 2.775 20 0 GFADRO Cc1cc(C(=O)NCC[NH+]2CCC(O)CC2)cc(Cl)c1Br ZINC000296983538 563311713 /nfs/dbraw/zinc/31/17/13/563311713.db2.gz PIBCIWGGRFYVPK-UHFFFAOYSA-N 1 0 375.694 2.597 20 0 GFADRO C[C@H](CO)[N@@H+]1CCCN(C(=O)C(C)(C)c2cccc(Br)c2)CC1 ZINC000372733320 563315326 /nfs/dbraw/zinc/31/53/26/563315326.db2.gz WTNJONXTHRQHPC-CQSZACIVSA-N 1 0 383.330 2.642 20 0 GFADRO CC[NH+](CC)CCCNC(=O)C(=O)Nc1cc(F)cc(Br)c1F ZINC000279946516 563315726 /nfs/dbraw/zinc/31/57/26/563315726.db2.gz RVQASMWAEQRJMS-UHFFFAOYSA-N 1 0 392.244 2.514 20 0 GFADRO [NH3+][C@H]1CCC[C@]12CCN(C(=O)c1ccc(F)cc1I)C2 ZINC000372779442 563317259 /nfs/dbraw/zinc/31/72/59/563317259.db2.gz DXVCNIXLEJYLAU-DZGCQCFKSA-N 1 0 388.224 2.774 20 0 GFADRO COC(=O)[C@H]1CC[C@@H]([NH2+][C@H](C)c2cc(S(N)(=O)=O)c(Cl)cc2Cl)C1 ZINC000280009227 563318361 /nfs/dbraw/zinc/31/83/61/563318361.db2.gz GONWJSWLEUIXSN-KXUCPTDWSA-N 1 0 395.308 2.633 20 0 GFADRO Cc1csc(C(=O)N(C)C[C@H]2CCC[N@@H+]2C)c1I ZINC000421710676 563319719 /nfs/dbraw/zinc/31/97/19/563319719.db2.gz LUZXRAZVYZWUAO-SNVBAGLBSA-N 1 0 378.279 2.827 20 0 GFADRO C[C@@H]1CN(C(=O)c2cccc(Br)c2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000372856168 563320261 /nfs/dbraw/zinc/32/02/61/563320261.db2.gz IXUSGKORZJJKJP-RHSMWYFYSA-N 1 0 380.330 2.547 20 0 GFADRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)c2ccc(S(C)(=O)=O)s2)C1 ZINC000421767664 563321319 /nfs/dbraw/zinc/32/13/19/563321319.db2.gz BKJYLSSGVNOAHH-LSDHHAIUSA-N 1 0 384.567 2.878 20 0 GFADRO O=C(NCC1CC[NH2+]CC1)C1(c2ccc(Br)cc2)CCOCC1 ZINC000297340345 563323706 /nfs/dbraw/zinc/32/37/06/563323706.db2.gz YKNNPBKYIDGIEN-UHFFFAOYSA-N 1 0 381.314 2.613 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2nc3cc(Br)ccn3n2)[C@@H](C)C1 ZINC000297332694 563323791 /nfs/dbraw/zinc/32/37/91/563323791.db2.gz NACACONDFHDGHD-AAEUAGOBSA-N 1 0 395.305 2.686 20 0 GFADRO CC(C)[NH+]1CCC(O)(CNC(=O)NCCc2cccc(Br)c2)CC1 ZINC000297373320 563325095 /nfs/dbraw/zinc/32/50/95/563325095.db2.gz DOLOCAYHZXHNNL-UHFFFAOYSA-N 1 0 398.345 2.526 20 0 GFADRO C[NH+]1CCC2(CCCN(C(=O)C(=O)Nc3ccc(Br)cc3)C2)CC1 ZINC000373002544 563325184 /nfs/dbraw/zinc/32/51/84/563325184.db2.gz RUSCEHZIICHXCB-UHFFFAOYSA-N 1 0 394.313 2.722 20 0 GFADRO O=C(N1CC[C@H]2CC[NH2+][C@H]2C1)C1(c2ccc(Br)cc2)CCOCC1 ZINC000373065851 563327554 /nfs/dbraw/zinc/32/75/54/563327554.db2.gz LFYRESLJRVLGBB-PBHICJAKSA-N 1 0 393.325 2.708 20 0 GFADRO CCC[NH+]1CCN(C2CCN(C(=O)c3ccoc3Br)CC2)CC1 ZINC000373104663 563328474 /nfs/dbraw/zinc/32/84/74/563328474.db2.gz QJZDMKPGSJJFMJ-UHFFFAOYSA-N 1 0 384.318 2.674 20 0 GFADRO C[C@H]1CCN(C(=O)NCc2c(Cl)cccc2-n2ccnc2)CC[S@@]1=O ZINC000297591511 563330574 /nfs/dbraw/zinc/33/05/74/563330574.db2.gz MSTIZNWQJHORRC-CANCMXDXSA-N 1 0 380.901 2.578 20 0 GFADRO COc1ccc2c(c1)[C@@H]([NH3+])CCN2S(=O)(=O)c1c(Cl)ccnc1Cl ZINC000373177437 563331417 /nfs/dbraw/zinc/33/14/17/563331417.db2.gz FGLNITMTXLIUIB-LBPRGKRZSA-N 1 0 388.276 2.996 20 0 GFADRO CSc1ccc([C@H](CNC(=O)NC[C@@](C)(O)C(F)(F)F)[NH+](C)C)cc1 ZINC000297634504 563332048 /nfs/dbraw/zinc/33/20/48/563332048.db2.gz YPUFXLBLIPFFRJ-DZGCQCFKSA-N 1 0 379.448 2.624 20 0 GFADRO CCOc1cc(CN(C)[C@@H](C)CS(=O)(=O)CC)cc(Br)c1O ZINC000297661038 563332262 /nfs/dbraw/zinc/33/22/62/563332262.db2.gz JNYBNFZNELWRSB-NSHDSACASA-N 1 0 394.331 2.808 20 0 GFADRO COc1cc(Br)ccc1CCC[N@@H+]1CCc2nnc(N)cc2C1 ZINC000373285541 563333960 /nfs/dbraw/zinc/33/39/60/563333960.db2.gz PNZVVNMWHNMPBP-UHFFFAOYSA-N 1 0 377.286 2.821 20 0 GFADRO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)N(C)CC1CC[NH+](C)CC1 ZINC000297786490 563335901 /nfs/dbraw/zinc/33/59/01/563335901.db2.gz JBYVSURMFRDXJF-UHFFFAOYSA-N 1 0 386.323 2.752 20 0 GFADRO CC[C@@H]([NH2+]C[C@@](C)(O)C(F)(F)F)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000280439083 563337612 /nfs/dbraw/zinc/33/76/12/563337612.db2.gz CMBIFVXIWPGRTH-DGCLKSJQSA-N 1 0 388.839 2.602 20 0 GFADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1cc(F)c(Br)cc1Cl ZINC000373473063 563339461 /nfs/dbraw/zinc/33/94/61/563339461.db2.gz GPURZUMFWNEQEK-NXEZZACHSA-N 1 0 391.668 2.835 20 0 GFADRO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000422491103 563341095 /nfs/dbraw/zinc/34/10/95/563341095.db2.gz NMZXSIOIHBHNFT-CYBMUJFWSA-N 1 0 386.323 2.800 20 0 GFADRO C[C@H]1CN(CCOc2ccccc2Br)CCN1C1CC[NH+](C)CC1 ZINC000373528978 563341769 /nfs/dbraw/zinc/34/17/69/563341769.db2.gz KFUVOPWZWQWQNC-INIZCTEOSA-N 1 0 396.373 2.928 20 0 GFADRO Brc1ccc(CN2CCC3(CC[NH2+]3)CC2)c(N2CCOCC2)c1 ZINC000422564095 563343270 /nfs/dbraw/zinc/34/32/70/563343270.db2.gz VFLNORSJROHNJN-UHFFFAOYSA-N 1 0 380.330 2.614 20 0 GFADRO COc1cc(C(F)(F)F)cc(S(=O)(=O)N2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)c1 ZINC000422556800 563343301 /nfs/dbraw/zinc/34/33/01/563343301.db2.gz UOANORAUGIFQFN-WOPDTQHZSA-N 1 0 380.432 2.708 20 0 GFADRO CCOc1cc(C[NH2+][C@@H](CO)C[C@@H](O)C(C)(C)C)cc(Br)c1O ZINC000298169328 563346973 /nfs/dbraw/zinc/34/69/73/563346973.db2.gz UCCPSFIUTCKAFD-IUODEOHRSA-N 1 0 390.318 2.801 20 0 GFADRO CC(C)[C@@H](C(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)[C@H](C)[NH3+] ZINC000422930708 563350600 /nfs/dbraw/zinc/35/06/00/563350600.db2.gz VPDBNBBTXZZPOC-BLLLJJGKSA-N 1 0 387.933 2.682 20 0 GFADRO [NH3+]CC1CCN(C(=O)C(=O)N(Cc2cccs2)Cc2cccs2)CC1 ZINC000423013786 563353141 /nfs/dbraw/zinc/35/31/41/563353141.db2.gz GSQKGCKYUPEKMB-UHFFFAOYSA-N 1 0 377.535 2.536 20 0 GFADRO C[C@H]1CN(C(=O)C(=O)N(Cc2cccs2)Cc2cccs2)C[C@H](C)[NH2+]1 ZINC000423012257 563353390 /nfs/dbraw/zinc/35/33/90/563353390.db2.gz CPQNJDFOTLAFOH-KBPBESRZSA-N 1 0 377.535 2.547 20 0 GFADRO Cc1nn(CCS(C)(=O)=O)c(C)c1C[N@H+]1C[C@H](c2ccsc2)C[C@@H]1C ZINC000373898977 563354773 /nfs/dbraw/zinc/35/47/73/563354773.db2.gz IIRYNNQHVSHGNZ-SUMWQHHRSA-N 1 0 381.567 2.984 20 0 GFADRO C[NH2+]CC1CCN(C(=O)C(=O)N(C)[C@@H](C)c2ccc(Cl)cc2Cl)CC1 ZINC000423089664 563354775 /nfs/dbraw/zinc/35/47/75/563354775.db2.gz SQTGFBMFPIGEFB-LBPRGKRZSA-N 1 0 386.323 2.971 20 0 GFADRO Cc1ccc([C@H]([NH2+]CCOCC(F)(F)C(F)F)[C@H](C)S(C)(=O)=O)cc1 ZINC000280809128 563355157 /nfs/dbraw/zinc/35/51/57/563355157.db2.gz LSZDZWACLJRDSH-GXTWGEPZSA-N 1 0 385.423 2.976 20 0 GFADRO CC(C)[C@H](C(=O)Nc1ncn(Cc2cccc(Br)c2)n1)[C@@H](C)[NH3+] ZINC000423106731 563355212 /nfs/dbraw/zinc/35/52/12/563355212.db2.gz OYAGRNPIBDIALU-RISCZKNCSA-N 1 0 380.290 2.647 20 0 GFADRO CC(C)N(Cc1cccc(Br)c1)C(=O)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000423114814 563356253 /nfs/dbraw/zinc/35/62/53/563356253.db2.gz ZVQZVTXHDMMMRP-UHFFFAOYSA-N 1 0 398.345 2.629 20 0 GFADRO CCCS(=O)(=O)Nc1cc(NC(=O)[C@@H](C(C)C)[C@H](C)[NH3+])c(F)cc1F ZINC000423126488 563356291 /nfs/dbraw/zinc/35/62/91/563356291.db2.gz IVXRMHKIBANTMX-BONVTDFDSA-N 1 0 377.457 2.674 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)[C@H](C(C)C)[C@@H](C)[NH3+] ZINC000423130885 563357123 /nfs/dbraw/zinc/35/71/23/563357123.db2.gz SJXOFINHZGAVKB-MLGOLLRUSA-N 1 0 384.318 2.822 20 0 GFADRO CC(C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)N1CCC(C[NH3+])CC1 ZINC000423162955 563357975 /nfs/dbraw/zinc/35/79/75/563357975.db2.gz LWQIWIJXSKCUPV-UHFFFAOYSA-N 1 0 386.323 2.928 20 0 GFADRO COC[C@@H]([NH2+]CCC(=O)Nc1sccc1C(N)=O)c1ccc(Cl)cc1 ZINC000298517167 563358362 /nfs/dbraw/zinc/35/83/62/563358362.db2.gz LBPSUYBVQITKSP-CQSZACIVSA-N 1 0 381.885 2.806 20 0 GFADRO COC[C@@]1(C(=O)N(C)CC2(c3ccc(Br)cc3)CC2)CC[NH2+]C1 ZINC000423229677 563359441 /nfs/dbraw/zinc/35/94/41/563359441.db2.gz HPVORMIHKIYGQN-GOSISDBHSA-N 1 0 381.314 2.565 20 0 GFADRO C[N@H+](CCc1cn[nH]c1)Cc1cccc(Br)c1OCC(C)(C)O ZINC000298547450 563359472 /nfs/dbraw/zinc/35/94/72/563359472.db2.gz UHJOSUFHGOGAEO-UHFFFAOYSA-N 1 0 382.302 2.996 20 0 GFADRO CCn1ccnc1[C@H](NC[C@H](C)C[NH3+])c1ccc(I)cc1 ZINC000423313952 563359739 /nfs/dbraw/zinc/35/97/39/563359739.db2.gz XMAJVANKQNUXBS-IUODEOHRSA-N 1 0 398.292 2.781 20 0 GFADRO C[C@H](NC[C@H]1C[NH2+]CCO1)c1ccc(Br)cc1Br ZINC000423529428 563362149 /nfs/dbraw/zinc/36/21/49/563362149.db2.gz VMQBYMJHMIAVRN-GXSJLCMTSA-N 1 0 378.108 2.851 20 0 GFADRO C[C@@H](c1ccccc1Br)N(C)C(=O)C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000423561344 563362197 /nfs/dbraw/zinc/36/21/97/563362197.db2.gz LRIYQJUOZAGGHO-KBPBESRZSA-N 1 0 396.329 2.556 20 0 GFADRO Cc1nn(Cc2cccc(Br)c2)c(C)c1C(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000423687457 563362722 /nfs/dbraw/zinc/36/27/22/563362722.db2.gz WPVGMADVOIZSKW-LRDDRELGSA-N 1 0 391.313 2.872 20 0 GFADRO CCOc1cc(Br)c(CC(=O)N2CC[C@H]([NH3+])[C@@H]2C)cc1OCC ZINC000423638262 563362808 /nfs/dbraw/zinc/36/28/08/563362808.db2.gz IHCWHGCWDDVAKT-FZMZJTMJSA-N 1 0 385.302 2.737 20 0 GFADRO O=C(COc1ccc(F)cc1Br)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000423938044 563364239 /nfs/dbraw/zinc/36/42/39/563364239.db2.gz HFNAHDMGUSEEJX-WFASDCNBSA-N 1 0 385.277 2.958 20 0 GFADRO NC(=O)C1([NH2+]CCC(=O)Nc2ccc(Br)cc2F)CCCCC1 ZINC000298706818 563364663 /nfs/dbraw/zinc/36/46/63/563364663.db2.gz TYXWNMNZTBXEAU-UHFFFAOYSA-N 1 0 386.265 2.695 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)N(C)[C@@H](C[NH3+])C1CC1 ZINC000423944274 563364975 /nfs/dbraw/zinc/36/49/75/563364975.db2.gz HKQZWTZERYZGFH-ZFWWWQNUSA-N 1 0 384.567 2.547 20 0 GFADRO [NH3+]C[C@@H](NC(=O)c1ccc(I)c(F)c1)C1CCCC1 ZINC000423954906 563365547 /nfs/dbraw/zinc/36/55/47/563365547.db2.gz KNOHVQRLLKFMJV-CYBMUJFWSA-N 1 0 376.213 2.678 20 0 GFADRO Cc1cc(SCC(=O)N2CCCO[C@H](C[NH3+])C2)c(C)cc1Br ZINC000424006377 563367060 /nfs/dbraw/zinc/36/70/60/563367060.db2.gz BAGOJZSHULOZOC-CYBMUJFWSA-N 1 0 387.343 2.734 20 0 GFADRO O=C(Cc1ccc(Cl)s1)Nc1ccccc1OCCN1CC[NH2+]CC1 ZINC000424004369 563367292 /nfs/dbraw/zinc/36/72/92/563367292.db2.gz QLQBGZJSBBFYND-UHFFFAOYSA-N 1 0 379.913 2.867 20 0 GFADRO C[C@@H]1CCN(C(=O)C2CCN(C(=O)c3ccc(Cl)s3)CC2)C[C@@H]1C[NH3+] ZINC000424013929 563367319 /nfs/dbraw/zinc/36/73/19/563367319.db2.gz LBOYSDFEPBUAQP-OCCSQVGLSA-N 1 0 383.945 2.697 20 0 GFADRO [NH3+][C@@H]1CN(C(=O)COc2ccccc2Br)C[C@H]1c1ccccc1F ZINC000424022829 563367838 /nfs/dbraw/zinc/36/78/38/563367838.db2.gz DVOSHAWVMUMVQK-XJKSGUPXSA-N 1 0 393.256 2.920 20 0 GFADRO O=S(=O)(c1c[nH]c2ncccc12)N1CCNC[C@@H]1c1cccc(Cl)c1 ZINC000374336179 563368001 /nfs/dbraw/zinc/36/80/01/563368001.db2.gz CNNPGBOPCLLBCJ-OAHLLOKOSA-N 1 0 376.869 2.552 20 0 GFADRO C[C@@H]1CCN(C(=O)c2cc(=O)[nH]c3ccc(Br)cc32)C[C@H]1C[NH3+] ZINC000424026216 563368045 /nfs/dbraw/zinc/36/80/45/563368045.db2.gz XFIWPLSFLJVGFU-GHMZBOCLSA-N 1 0 378.270 2.760 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2C(=O)Cc1cc(Br)ccc1F ZINC000374412042 563371209 /nfs/dbraw/zinc/37/12/09/563371209.db2.gz PKLADQHPWNNLGF-HYVNUMGLSA-N 1 0 399.304 2.841 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2Cc1cc2c(c(Br)c1)OCO2 ZINC000374430468 563372067 /nfs/dbraw/zinc/37/20/67/563372067.db2.gz SLBVLZFGGDLORQ-VNQPRFMTSA-N 1 0 397.313 2.861 20 0 GFADRO C[C@@H]([NH2+]C[C@@H]1CCn2ncc(C(N)=O)c2C1)c1cc(Br)ccc1F ZINC000281289938 563372504 /nfs/dbraw/zinc/37/25/04/563372504.db2.gz XYTFPGMVQNXHFL-GHMZBOCLSA-N 1 0 395.276 2.797 20 0 GFADRO C[C@H]([NH2+]C[C@H]1CCn2ncc(C(N)=O)c2C1)c1cc(Br)ccc1F ZINC000281289945 563372551 /nfs/dbraw/zinc/37/25/51/563372551.db2.gz XYTFPGMVQNXHFL-QWRGUYRKSA-N 1 0 395.276 2.797 20 0 GFADRO CC[NH+]1CCC(NC(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)CC1 ZINC000299031845 563373914 /nfs/dbraw/zinc/37/39/14/563373914.db2.gz QNEJHMJQIXYVLM-UHFFFAOYSA-N 1 0 386.327 2.704 20 0 GFADRO CC1(C)CN(C(=O)[C@@H]2CCN(c3cc(Cl)cc(Cl)c3)C2=O)CC[C@H]1[NH3+] ZINC000374508876 563374323 /nfs/dbraw/zinc/37/43/23/563374323.db2.gz VDEYJRCHORZGEI-LSDHHAIUSA-N 1 0 384.307 2.932 20 0 GFADRO O=C(Nc1cnn(CC[NH+]2CCCCC2)c1)c1ccncc1Br ZINC000374525157 563375153 /nfs/dbraw/zinc/37/51/53/563375153.db2.gz AZNPYKXFRGSRAP-UHFFFAOYSA-N 1 0 378.274 2.779 20 0 GFADRO C[C@H]([NH2+]CCCCS(C)(=O)=O)c1ccc(I)cc1 ZINC000424314198 563375996 /nfs/dbraw/zinc/37/59/96/563375996.db2.gz ZNZDAJMNVLPVIW-NSHDSACASA-N 1 0 381.279 2.767 20 0 GFADRO Cc1cc(NC(=O)C(=O)N(C)CCC[NH+]2CCCC2)ccc1Br ZINC000281388933 563375933 /nfs/dbraw/zinc/37/59/33/563375933.db2.gz HXQWVRQSRDOUST-UHFFFAOYSA-N 1 0 382.302 2.640 20 0 GFADRO COC(=O)CC1CC([NH2+]C[C@H](CO)Cc2cccc(Br)c2C)C1 ZINC000424332017 563376279 /nfs/dbraw/zinc/37/62/79/563376279.db2.gz KGFCHTSDRWGAQJ-NPCAHTBFSA-N 1 0 384.314 2.840 20 0 GFADRO Cc1c(Br)cccc1S(=O)(=O)N1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424390394 563377846 /nfs/dbraw/zinc/37/78/46/563377846.db2.gz KIVMCXYDXWDLEQ-GFCCVEGCSA-N 1 0 387.343 2.910 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)c3cc(=O)[nH]c4c(Br)cccc34)C[C@@H]21 ZINC000374614317 563378183 /nfs/dbraw/zinc/37/81/83/563378183.db2.gz UTMPPEOYMNIRBB-RIEGTJTDSA-N 1 0 390.281 2.902 20 0 GFADRO CO[C@@H](C)c1noc(CN2CCC(Cn3cc(Br)cn3)CC2)n1 ZINC000374649105 563378838 /nfs/dbraw/zinc/37/88/38/563378838.db2.gz SCBWIOCOLFWGDG-NSHDSACASA-N 1 0 384.278 2.648 20 0 GFADRO C[C@@H](CNC(=O)C[C@@](O)(c1nc2ccccc2s1)C(F)(F)F)[NH+](C)C ZINC000299273705 563380249 /nfs/dbraw/zinc/38/02/49/563380249.db2.gz WBNFIIYDDRFULP-ZUZCIYMTSA-N 1 0 375.416 2.503 20 0 GFADRO COc1ncc(C(=O)NC[C@H](c2ccccc2)[NH+](C)C)cc1Br ZINC000424535462 563380926 /nfs/dbraw/zinc/38/09/26/563380926.db2.gz NPMZAQYOICJIGL-OAHLLOKOSA-N 1 0 378.270 2.885 20 0 GFADRO Cc1sc(C(=O)N2CCN(CC[NH+]3CCCC3)CC2)cc1Br ZINC000424552609 563381700 /nfs/dbraw/zinc/38/17/00/563381700.db2.gz AIZOAHGGFPPYFR-UHFFFAOYSA-N 1 0 386.359 2.673 20 0 GFADRO COc1c(Br)ccc(C)c1C(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000424575478 563382440 /nfs/dbraw/zinc/38/24/40/563382440.db2.gz XEIZTEMRXSMHAT-ZIAGYGMSSA-N 1 0 399.329 2.995 20 0 GFADRO C[C@H]1CCC[N@H+](CCNC(=O)Cc2noc3ccc(Br)cc32)C1 ZINC000424589609 563382489 /nfs/dbraw/zinc/38/24/89/563382489.db2.gz KCSUNUUUIBPGNM-LBPRGKRZSA-N 1 0 380.286 2.981 20 0 GFADRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2c[nH]c3ncc(Br)cc23)C1 ZINC000281679146 563383311 /nfs/dbraw/zinc/38/33/11/563383311.db2.gz ULMAFUATPZVECY-IAQYHMDHSA-N 1 0 377.286 2.882 20 0 GFADRO C[N@@H+]1CC[C@H]2CCN(C(=O)c3cc(=O)[nH]c4ccc(Br)cc43)[C@H]2C1 ZINC000374882010 563385261 /nfs/dbraw/zinc/38/52/61/563385261.db2.gz PAGQOKJUJACOJA-ZBEGNZNMSA-N 1 0 390.281 2.869 20 0 GFADRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)Cc1noc2ccc(Br)cc21 ZINC000424677745 563386517 /nfs/dbraw/zinc/38/65/17/563386517.db2.gz APDQCIAHJJUGBZ-XHDPSFHLSA-N 1 0 380.286 2.931 20 0 GFADRO C[N@@H+]1CCN(CCNC(=O)c2cc3cc(Br)ccc3o2)CC1(C)C ZINC000281812328 563387751 /nfs/dbraw/zinc/38/77/51/563387751.db2.gz QIKCCDKXNTYXHP-UHFFFAOYSA-N 1 0 394.313 2.951 20 0 GFADRO CC1CC[NH+]([C@@H](CNc2ncc(S(N)(=O)=O)s2)c2ccccc2)CC1 ZINC000301136460 563393717 /nfs/dbraw/zinc/39/37/17/563393717.db2.gz ABBGZNNOEVKQJH-HNNXBMFYSA-N 1 0 380.539 2.676 20 0 GFADRO O=C1CC[C@@H]([NH2+]Cc2cc3c(cc2Br)OCCCO3)[C@H](C2CC2)N1 ZINC000375282392 563398433 /nfs/dbraw/zinc/39/84/33/563398433.db2.gz RHECRKBIGQKPOL-KDOFPFPSSA-N 1 0 395.297 2.757 20 0 GFADRO COC(=O)c1ccc(C[N@@H+]2CCC[C@H](c3nnc[nH]3)C2)c(Br)c1 ZINC000375312540 563399133 /nfs/dbraw/zinc/39/91/33/563399133.db2.gz DVWXSSMMAYTOJQ-ZDUSSCGKSA-N 1 0 379.258 2.733 20 0 GFADRO C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)Nc1ncc(Br)cn1 ZINC000301405241 563402153 /nfs/dbraw/zinc/40/21/53/563402153.db2.gz UCIDLUOTCJEJJE-AWEZNQCLSA-N 1 0 376.302 2.862 20 0 GFADRO O=C(NCc1cnc2n1CCCC2)c1ccc(I)cc1 ZINC000375386277 563402614 /nfs/dbraw/zinc/40/26/14/563402614.db2.gz GJCWOHUMSLDJBB-UHFFFAOYSA-N 1 0 381.217 2.754 20 0 GFADRO C[C@@H]1OCC[C@H]1C(=O)Nc1cc(Br)ccc1N(C)CC[NH+](C)C ZINC000425095160 563403617 /nfs/dbraw/zinc/40/36/17/563403617.db2.gz AIAALRUDFASUPW-GXTWGEPZSA-N 1 0 384.318 2.810 20 0 GFADRO Cn1ncc(NC[C@H](c2ccc(Cl)cc2)[NH+](C)C)c(Br)c1=O ZINC000301454446 563404621 /nfs/dbraw/zinc/40/46/21/563404621.db2.gz BJVKJVMYEVAZPG-CYBMUJFWSA-N 1 0 385.693 2.911 20 0 GFADRO C[C@@H]([NH2+][C@@H]1CCC(=O)N[C@H]1c1cncn1C)c1cc(Br)cs1 ZINC000375507997 563407338 /nfs/dbraw/zinc/40/73/38/563407338.db2.gz LAXWWHCSTOUBRM-XDMRBOTDSA-N 1 0 383.315 2.915 20 0 GFADRO C[C@H](CO)[N@@H+]1CCCN(Cc2ncc(-c3cccc(Br)c3)o2)CC1 ZINC000375502700 563407462 /nfs/dbraw/zinc/40/74/62/563407462.db2.gz VUENHCDKCRLVDZ-CQSZACIVSA-N 1 0 394.313 2.993 20 0 GFADRO C[C@@H](CO)[N@@H+]1CCCN(Cc2ncc(-c3cccc(Br)c3)o2)CC1 ZINC000375502698 563407544 /nfs/dbraw/zinc/40/75/44/563407544.db2.gz VUENHCDKCRLVDZ-AWEZNQCLSA-N 1 0 394.313 2.993 20 0 GFADRO C[C@@H]([NH2+][C@@H]1CCC(=O)N[C@H]1c1cncn1C)c1cccc(Br)c1 ZINC000375502705 563407552 /nfs/dbraw/zinc/40/75/52/563407552.db2.gz NJXIBFQVDZSRQK-JDSLSITLSA-N 1 0 377.286 2.853 20 0 GFADRO COC(=O)C[C@@H]1CN(c2cc[nH+]c3cc(OC)c(Br)cc32)CCO1 ZINC000425223306 563412965 /nfs/dbraw/zinc/41/29/65/563412965.db2.gz CBNQCWWOSSJKGN-LLVKDONJSA-N 1 0 395.253 2.774 20 0 GFADRO COc1cc2[nH+]ccc(N(C)C[C@@H]3CCS(=O)(=O)C3)c2cc1Br ZINC000425229696 563413633 /nfs/dbraw/zinc/41/36/33/563413633.db2.gz LFHFKVGRAGKUNB-NSHDSACASA-N 1 0 399.310 2.877 20 0 GFADRO COc1cc2[nH+]ccc(N3CCC(OCCO)CC3)c2cc1Br ZINC000425243486 563414320 /nfs/dbraw/zinc/41/43/20/563414320.db2.gz FPJYIUFQDSTMKR-UHFFFAOYSA-N 1 0 381.270 2.984 20 0 GFADRO COc1cc2[nH+]ccc(NC[C@@]3(CCO)CCOC3)c2cc1Br ZINC000425247554 563415043 /nfs/dbraw/zinc/41/50/43/563415043.db2.gz ZWUNQJDTOWBKCM-QGZVFWFLSA-N 1 0 381.270 2.629 20 0 GFADRO CC(C)(C)c1n[nH]cc1C[NH2+]C[C@@H]1CCN(S(=O)(=O)c2cccs2)C1 ZINC000375745820 563416628 /nfs/dbraw/zinc/41/66/28/563416628.db2.gz RHMGZHMIWRVAJY-ZDUSSCGKSA-N 1 0 382.555 2.569 20 0 GFADRO Ic1cnc(C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)s1 ZINC000375759040 563416959 /nfs/dbraw/zinc/41/69/59/563416959.db2.gz PVCQTNIZAOTWFE-XXILOJSOSA-N 1 0 376.263 2.795 20 0 GFADRO COCc1cccc(C[NH2+]C[C@H]2CCN(S(=O)(=O)c3cccs3)C2)c1 ZINC000375741526 563417106 /nfs/dbraw/zinc/41/71/06/563417106.db2.gz DWLRQUZWRDMBHE-QGZVFWFLSA-N 1 0 380.535 2.695 20 0 GFADRO CSc1nc2ncnc(Sc3nnc([C@H]4CCC[NH2+]C4)n3C)c2s1 ZINC000301968494 563417337 /nfs/dbraw/zinc/41/73/37/563417337.db2.gz YITVTQWGBGYWPU-QMMMGPOBSA-N 1 0 379.540 2.555 20 0 GFADRO Cc1ncc(C(=O)N2CCN(C3CC[NH+](C)CC3)[C@@H](C)C2)c(Cl)c1Cl ZINC000375787778 563418700 /nfs/dbraw/zinc/41/87/00/563418700.db2.gz HIUVKSVVQRMVEL-LBPRGKRZSA-N 1 0 385.339 2.937 20 0 GFADRO COC(=O)[C@@H]1C[N@H+](Cc2cncn2C)C[C@H]1c1ccc(Br)cc1 ZINC000425352965 563418759 /nfs/dbraw/zinc/41/87/59/563418759.db2.gz YKHYRJIPXIPMKA-JKSUJKDBSA-N 1 0 378.270 2.571 20 0 GFADRO C[N@@H+]1C[C@@H]2CCCN(Cc3ccc(Br)cc3N3CCOCC3)[C@@H]2C1 ZINC000425353469 563419000 /nfs/dbraw/zinc/41/90/00/563419000.db2.gz JBXCUDDPJJFCSX-HNAYVOBHSA-N 1 0 394.357 2.812 20 0 GFADRO CN1C(=O)NCC12CC[NH+](Cc1ccc(Br)c3cccnc13)CC2 ZINC000425375508 563419724 /nfs/dbraw/zinc/41/97/24/563419724.db2.gz USZMKRLNLNRJCQ-UHFFFAOYSA-N 1 0 389.297 2.987 20 0 GFADRO COC(=O)c1cnc([C@@H](C)NC(=O)NC[C@H](c2ccsc2)[NH+](C)C)s1 ZINC000425399554 563420599 /nfs/dbraw/zinc/42/05/99/563420599.db2.gz WRUYZRVAOUDCHB-ZYHUDNBSSA-N 1 0 382.511 2.654 20 0 GFADRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(Cc2ccc(S(=O)(=O)N(C)C)s2)C1 ZINC000425417817 563421698 /nfs/dbraw/zinc/42/16/98/563421698.db2.gz NFDZBVYGTPYVDN-OWCLPIDISA-N 1 0 385.599 2.836 20 0 GFADRO CCOc1c(Br)cc(C[N@H+](CC)CCOCCO)cc1OC ZINC000282707409 563422386 /nfs/dbraw/zinc/42/23/86/563422386.db2.gz KHEIWCMXSUCCRU-UHFFFAOYSA-N 1 0 376.291 2.687 20 0 GFADRO Cc1nc(N2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)ccc1Br ZINC000302182788 563422525 /nfs/dbraw/zinc/42/25/25/563422525.db2.gz SHTVRPQNWALIDW-XYPWUTKMSA-N 1 0 379.346 2.900 20 0 GFADRO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@H]1CCC(=O)NC12CCC2 ZINC000282755878 563423451 /nfs/dbraw/zinc/42/34/51/563423451.db2.gz BEBLPZDXWYKNIR-DOMZBBRYSA-N 1 0 394.313 2.957 20 0 GFADRO C[C@H]1CN(c2ccnc3cc(Br)cnc32)CC[N@@H+]1CC(C)(C)O ZINC000302464400 563425076 /nfs/dbraw/zinc/42/50/76/563425076.db2.gz AXKLHIHXGMYOTH-LBPRGKRZSA-N 1 0 379.302 2.674 20 0 GFADRO COC(=O)[C@@H]1CN([C@@H](C)c2nncn2C)C[C@H]1c1ccc(Br)cc1 ZINC000425523137 563426598 /nfs/dbraw/zinc/42/65/98/563426598.db2.gz YJIDTTKRLVUYDN-TUKIKUTGSA-N 1 0 393.285 2.527 20 0 GFADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)COc2cccc(Cl)c2Cl)C1 ZINC000302703045 563428189 /nfs/dbraw/zinc/42/81/89/563428189.db2.gz URQRGWIQPVTTMX-ZDUSSCGKSA-N 1 0 375.296 2.845 20 0 GFADRO C[NH+](C)C[C@@H]1CCc2ccccc2N1C(=O)Cn1cc(Br)cn1 ZINC000425622299 563428644 /nfs/dbraw/zinc/42/86/44/563428644.db2.gz JZXDGZRJVHLBMD-HNNXBMFYSA-N 1 0 377.286 2.555 20 0 GFADRO O=C(Nc1cnc2c(Br)cccn12)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000425676147 563431302 /nfs/dbraw/zinc/43/13/02/563431302.db2.gz SQFMOFWEPKSLSW-CHWSQXEVSA-N 1 0 378.274 2.845 20 0 GFADRO CS(=O)(=O)c1cccc(Br)c1N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000376221180 563433613 /nfs/dbraw/zinc/43/36/13/563433613.db2.gz UAPBBAUERXBNLZ-GZBFAFLISA-N 1 0 399.354 2.773 20 0 GFADRO Cc1nc(C)c(-c2csc(NC(=O)C3C[C@@H]4C[NH2+]C[C@H](C3)C4=O)n2)s1 ZINC000376378018 563439906 /nfs/dbraw/zinc/43/99/06/563439906.db2.gz XFRSNDDKELJTQR-YOGCLGLASA-N 1 0 376.507 2.637 20 0 GFADRO CCS(=O)(=O)c1ccc(Cl)c(C(=O)N2CC[C@H]([NH+]3CCCC3)[C@H]2C)c1 ZINC000376409814 563441394 /nfs/dbraw/zinc/44/13/94/563441394.db2.gz ALUQOKSKWKJZTO-DYVFJYSZSA-N 1 0 384.929 2.832 20 0 GFADRO C[C@H](c1ncc(Br)cn1)N1CC[C@H]2[C@H](CCC(=O)N2C2CC2)C1 ZINC000376505347 563443717 /nfs/dbraw/zinc/44/37/17/563443717.db2.gz GLLUIICSVWEYRP-JMSVASOKSA-N 1 0 379.302 2.775 20 0 GFADRO C[C@@H](C(=O)Nc1cccc(Cl)c1)[N@@H+]1CC[C@@H](C(=O)NCC(F)(F)F)C1 ZINC000426108517 563444333 /nfs/dbraw/zinc/44/43/33/563444333.db2.gz ASXXYPYYZBHAOU-WDEREUQCSA-N 1 0 377.794 2.667 20 0 GFADRO CC1CC[NH+](CCCNS(=O)(=O)c2ccc(Br)c(F)c2)CC1 ZINC000318949316 563445096 /nfs/dbraw/zinc/44/50/96/563445096.db2.gz ILSHMNKKMFPCBA-UHFFFAOYSA-N 1 0 393.322 2.989 20 0 GFADRO Cc1cc(NC(=O)C(=O)N(C)CC[NH+]2CCCC2)cc(C)c1Br ZINC000426225884 563447152 /nfs/dbraw/zinc/44/71/52/563447152.db2.gz ZWAWEWLQBKLLFY-UHFFFAOYSA-N 1 0 382.302 2.559 20 0 GFADRO [NH3+]C[C@H]1CCCC[C@@]12NC(=O)N(Cc1ccc(F)c(Br)c1)C2=O ZINC000321426184 563447834 /nfs/dbraw/zinc/44/78/34/563447834.db2.gz LYWUEQVHGVFMCT-BDJLRTHQSA-N 1 0 384.249 2.528 20 0 GFADRO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)Nc2cc(C)c(Br)c(C)c2)C1 ZINC000426306919 563448453 /nfs/dbraw/zinc/44/84/53/563448453.db2.gz MPJGPTFPVFKULZ-OAHLLOKOSA-N 1 0 396.329 2.947 20 0 GFADRO CN(CCOc1ccc(Br)cc1)C(=O)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000321498003 563448911 /nfs/dbraw/zinc/44/89/11/563448911.db2.gz ULLYEYGDQBPRSR-CQSZACIVSA-N 1 0 395.219 2.828 20 0 GFADRO O=C(NC[C@@H](O)c1cccc(Br)c1)NCC1CC[NH+](C2CC2)CC1 ZINC000283690320 563451061 /nfs/dbraw/zinc/45/10/61/563451061.db2.gz VKPHRYWNNTUUIP-QGZVFWFLSA-N 1 0 396.329 2.656 20 0 GFADRO O=C([C@H]1CCC[N@@H+]1C1CC1)N(CCO)Cc1cc(Br)ccc1F ZINC000426992542 563458177 /nfs/dbraw/zinc/45/81/77/563458177.db2.gz VFNDPRWBGXMLKS-MRXNPFEDSA-N 1 0 385.277 2.536 20 0 GFADRO CC[NH+](CC)CC1CCN(S(=O)(=O)c2c(C)csc2C(=O)OC)CC1 ZINC000327832363 563460111 /nfs/dbraw/zinc/46/01/11/563460111.db2.gz IZRVYBRSCUKKJC-UHFFFAOYSA-N 1 0 388.555 2.586 20 0 GFADRO COC(=O)c1scc(C)c1S(=O)(=O)N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000327911072 563460250 /nfs/dbraw/zinc/46/02/50/563460250.db2.gz YXZDWWWJIRQKOY-UHFFFAOYSA-N 1 0 388.555 2.584 20 0 GFADRO CC[NH2+]CC1CCN(C(=O)[C@@H]2CCCN2C(=O)c2ccc(Cl)s2)CC1 ZINC000377130772 563463951 /nfs/dbraw/zinc/46/39/51/563463951.db2.gz YUOHADDJOBKALE-AWEZNQCLSA-N 1 0 383.945 2.854 20 0 GFADRO O=C(C[C@@H]1CC[NH2+]C1)N1CCC[C@@H]1c1ccccc1I ZINC000427383611 563466615 /nfs/dbraw/zinc/46/66/15/563466615.db2.gz KHLRNLCCOSNPQE-SWLSCSKDSA-N 1 0 384.261 2.954 20 0 GFADRO Cc1ncc(C[N@@H+]2CC[C@@H](NC(=O)c3c(C)nn(C)c3Cl)[C@@H](C)C2)s1 ZINC000377230579 563467873 /nfs/dbraw/zinc/46/78/73/563467873.db2.gz CSWZIKQXGWEEJO-IINYFYTJSA-N 1 0 381.933 2.787 20 0 GFADRO C[C@H](Oc1ccc(Cl)cc1Br)C(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000427612457 563470632 /nfs/dbraw/zinc/47/06/32/563470632.db2.gz NSNVAZCOHWSHRD-NRUUGDAUSA-N 1 0 375.694 2.984 20 0 GFADRO COc1ccc(S(=O)(=O)N2CCC([NH2+]CCCC(F)(F)F)CC2)cc1 ZINC000377385776 563472978 /nfs/dbraw/zinc/47/29/78/563472978.db2.gz JHWXFJFABWKWBK-UHFFFAOYSA-N 1 0 380.432 2.780 20 0 GFADRO C[NH+]1CCN(CCCNC(=O)c2cc(Cl)cc(F)c2Br)CC1 ZINC000284400938 563473970 /nfs/dbraw/zinc/47/39/70/563473970.db2.gz CUOGIGMMDXCFDN-UHFFFAOYSA-N 1 0 392.700 2.609 20 0 GFADRO Cc1c(Br)cccc1S(=O)(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000427781349 563475653 /nfs/dbraw/zinc/47/56/53/563475653.db2.gz IHGABAHAMHKCSQ-DZGCQCFKSA-N 1 0 387.343 2.862 20 0 GFADRO O=C(C[NH2+][C@H](c1ccc(Br)cc1)C1CCC1)N1CCNC(=O)C1 ZINC000329257695 563476709 /nfs/dbraw/zinc/47/67/09/563476709.db2.gz DCYGFAQYYWXVMA-KRWDZBQOSA-N 1 0 380.286 2.679 20 0 GFADRO Cn1nccc1[C@H]1[C@H](CNC(=O)c2coc(Br)c2)CCC[N@@H+]1C ZINC000284502128 563477882 /nfs/dbraw/zinc/47/78/82/563477882.db2.gz CTZRKLUGCCMZJT-XHDPSFHLSA-N 1 0 381.274 2.589 20 0 GFADRO Cc1nc(-c2ccc(Cl)s2)sc1C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000377532006 563478201 /nfs/dbraw/zinc/47/82/01/563478201.db2.gz ZXLSENAYOKXMJJ-LBPRGKRZSA-N 1 0 396.969 2.953 20 0 GFADRO O=C(c1cc(=O)[nH]c2ccc(Br)cc21)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000377564608 563479441 /nfs/dbraw/zinc/47/94/41/563479441.db2.gz OLDNNYDVTMTIRO-SFHVURJKSA-N 1 0 390.281 2.919 20 0 GFADRO CN1CC[NH+]([C@@H]2CCCCN(Cc3cc(O)ccc3Br)C2)CC1 ZINC000377621222 563480793 /nfs/dbraw/zinc/48/07/93/563480793.db2.gz FQEINYCHUIRKST-MRXNPFEDSA-N 1 0 382.346 2.757 20 0 GFADRO COc1ccc([C@@H](C[NH+](C)C)NC(=O)c2ccncc2Br)cc1 ZINC000284593146 563481610 /nfs/dbraw/zinc/48/16/10/563481610.db2.gz ZTJCWWKRGAUXOY-MRXNPFEDSA-N 1 0 378.270 2.885 20 0 GFADRO CN1CC[C@H]([NH2+][C@H]2CCN(CC(F)(F)F)C2=O)[C@@H]1c1ccc(Cl)cc1 ZINC000377658651 563482588 /nfs/dbraw/zinc/48/25/88/563482588.db2.gz XTYRWCYICPAFBY-KKUMJFAQSA-N 1 0 375.822 2.838 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000377739624 563485237 /nfs/dbraw/zinc/48/52/37/563485237.db2.gz SJSNSRPRPYBPNZ-KGLIPLIRSA-N 1 0 389.297 2.625 20 0 GFADRO Cc1ncc(C[N@@H+]2CC[C@@H](NC(=O)CCOCC(F)(F)F)[C@@H](C)C2)s1 ZINC000377789757 563487253 /nfs/dbraw/zinc/48/72/53/563487253.db2.gz JDWDRTKKQNEIDP-SMDDNHRTSA-N 1 0 379.448 2.747 20 0 GFADRO C[C@]12CC[N@H+](CCC(=O)Nc3sccc3C(N)=O)C[C@H]1C2(Cl)Cl ZINC000284769032 563489765 /nfs/dbraw/zinc/48/97/65/563489765.db2.gz MORADVRZWOHFIC-YGRLFVJLSA-N 1 0 376.309 2.691 20 0 GFADRO C[C@@H]1CN(C(=O)C[NH2+][C@H](c2cncc(Br)c2)C2CC2)C[C@@H](C)O1 ZINC000284822126 563490858 /nfs/dbraw/zinc/49/08/58/563490858.db2.gz PXKCOTHYOJKPGB-QFSBIZTOSA-N 1 0 382.302 2.521 20 0 GFADRO O=S(=O)(c1ccc(Br)s1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000378048325 563494487 /nfs/dbraw/zinc/49/44/87/563494487.db2.gz DTSZCJNVEKLEHF-LLVKDONJSA-N 1 0 379.345 2.521 20 0 GFADRO CC(C)(C)n1cc(C[NH2+]C[C@H](CO)Cc2ccc(Br)cc2)nn1 ZINC000428534423 563494941 /nfs/dbraw/zinc/49/49/41/563494941.db2.gz JWWPNBLAHMKEHM-CQSZACIVSA-N 1 0 381.318 2.736 20 0 GFADRO CC(C)NC(=O)NC(=O)[C@@H](C)[NH2+][C@@H](c1cncc(Br)c1)C1CC1 ZINC000284953903 563496632 /nfs/dbraw/zinc/49/66/32/563496632.db2.gz XCGPQLPCMSAXHN-QMTHXVAHSA-N 1 0 383.290 2.508 20 0 GFADRO CC1CC[NH+]([C@@H](CNC(=O)N[C@H](CO)CC(F)F)c2cccs2)CC1 ZINC000428693689 563499872 /nfs/dbraw/zinc/49/98/72/563499872.db2.gz QXBHOPYXBNONFX-KBPBESRZSA-N 1 0 375.485 2.836 20 0 GFADRO CS(=O)(=O)[C@H]1CCC[C@H]([NH2+]CCc2nc(-c3cccc(Cl)c3)no2)C1 ZINC000285070506 563501504 /nfs/dbraw/zinc/50/15/04/563501504.db2.gz JFAARMIYKUZPLE-GJZGRUSLSA-N 1 0 383.901 2.878 20 0 GFADRO Cc1cc(S(=O)(=O)N2CCC[C@H]([NH+](C)C)CC2)ccc1Br ZINC000428851471 563503822 /nfs/dbraw/zinc/50/38/22/563503822.db2.gz RGFDRKSURWGHAD-ZDUSSCGKSA-N 1 0 375.332 2.862 20 0 GFADRO CC(C)[C@H](NC(=O)c1ccccc1Br)C(=O)NC1CCC([NH3+])CC1 ZINC000428955571 563504781 /nfs/dbraw/zinc/50/47/81/563504781.db2.gz VUOTYSMHFBJQPF-ZUEPYMLJSA-N 1 0 396.329 2.590 20 0 GFADRO O=S1(=O)CC[C@]2(C1)C[C@H]([NH2+]Cc1ccc(F)c(C(F)(F)F)c1)CCO2 ZINC000378457375 563507649 /nfs/dbraw/zinc/50/76/49/563507649.db2.gz DFHQWOQJMCLIFI-IUODEOHRSA-N 1 0 381.391 2.670 20 0 GFADRO C[C@H]1C[C@@H]1[N@@H+]1CCN(C[C@H](O)COc2cccc(Br)c2)C[C@@H](C)C1 ZINC000429018445 563507733 /nfs/dbraw/zinc/50/77/33/563507733.db2.gz HLCCLVUENWYULN-YEWFCNIMSA-N 1 0 397.357 2.851 20 0 GFADRO O=C(CCc1cccc(Br)c1)Nc1ccc(N2CC[NH2+]CC2)cn1 ZINC000429046682 563508696 /nfs/dbraw/zinc/50/86/96/563508696.db2.gz INVKPTCWFLCJPY-UHFFFAOYSA-N 1 0 389.297 2.825 20 0 GFADRO O[C@H](COc1cccc(Br)c1)C[NH+]1CCC(O)(C(F)(F)F)CC1 ZINC000330509645 563508798 /nfs/dbraw/zinc/50/87/98/563508798.db2.gz JFDWYSWMVQQULM-LBPRGKRZSA-N 1 0 398.219 2.578 20 0 GFADRO O=C([C@H]1COc2ccc(Br)cc21)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000378499363 563509401 /nfs/dbraw/zinc/50/94/01/563509401.db2.gz PWNRECUPFRWVQD-JKSUJKDBSA-N 1 0 379.298 2.916 20 0 GFADRO C[C@@H]1CN(C(=O)c2cc(I)ccc2Cl)CC[C@@H]1[NH3+] ZINC000429126071 563510257 /nfs/dbraw/zinc/51/02/57/563510257.db2.gz FJUDHBZPNTWKPY-PELKAZGASA-N 1 0 378.641 2.754 20 0 GFADRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@H](C)C(=O)Nc1ccc(C)cc1Br ZINC000330543180 563510497 /nfs/dbraw/zinc/51/04/97/563510497.db2.gz AVVLJNDDPKZJEI-BZPMIXESSA-N 1 0 382.302 2.589 20 0 GFADRO O=C(Nc1cc(Br)ccn1)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000285283182 563512385 /nfs/dbraw/zinc/51/23/85/563512385.db2.gz QPYNQUFJPSULCW-GJZGRUSLSA-N 1 0 397.317 2.734 20 0 GFADRO C[C@@H]1CN(Cc2csc(-c3ccc(S(C)(=O)=O)cc3)n2)[C@@H](C)C[N@@H+]1C ZINC000330592986 563512627 /nfs/dbraw/zinc/51/26/27/563512627.db2.gz PODIBBYPAGRSDW-KGLIPLIRSA-N 1 0 379.551 2.738 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1NS(C)(=O)=O)c1ccccc1Br ZINC000330596784 563512828 /nfs/dbraw/zinc/51/28/28/563512828.db2.gz CMIDXQJPEZUNCZ-GLQYFDAESA-N 1 0 375.332 2.960 20 0 GFADRO CC1(C)Cc2c(cccc2Br)[C@H]1[NH2+]CC(=O)NC(=O)NC1CC1 ZINC000429411904 563516277 /nfs/dbraw/zinc/51/62/77/563516277.db2.gz XEZLDJPKSHUMLY-OAHLLOKOSA-N 1 0 380.286 2.650 20 0 GFADRO C[C@H]1CN([C@@H](C(N)=O)c2ccc(Br)cc2)CC[N@@H+](C2CCC2)C1 ZINC000429403758 563516422 /nfs/dbraw/zinc/51/64/22/563516422.db2.gz TXYFMDMLRGVFKN-CXAGYDPISA-N 1 0 380.330 2.782 20 0 GFADRO COC(=O)[C@H]1CC[N@H+](CC(=O)Nc2ccc(Br)cc2)[C@H]1C(C)C ZINC000429399269 563516447 /nfs/dbraw/zinc/51/64/47/563516447.db2.gz WRIGNOZHMOWTEW-HOCLYGCPSA-N 1 0 383.286 2.907 20 0 GFADRO C[C@@H](Nc1cnn(C)c(=O)c1Br)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000383526295 563517384 /nfs/dbraw/zinc/51/73/84/563517384.db2.gz PMRPBCDCTYBEJJ-HIFRSBDPSA-N 1 0 391.313 2.865 20 0 GFADRO Cc1cc(COc2ccc(C(=O)NCC(C)(C)[NH3+])cc2Br)no1 ZINC000429650859 563520521 /nfs/dbraw/zinc/52/05/21/563520521.db2.gz QNYFPKAOXXMMSI-UHFFFAOYSA-N 1 0 382.258 2.792 20 0 GFADRO CS(=O)(=O)N[C@H]1CCCC[C@H]1[NH2+]CCOc1ccc(Cl)cc1Cl ZINC000429722808 563521342 /nfs/dbraw/zinc/52/13/42/563521342.db2.gz TVWGGRANIJKYNF-KGLIPLIRSA-N 1 0 381.325 2.822 20 0 GFADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)CCCS(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000285522861 563525191 /nfs/dbraw/zinc/52/51/91/563525191.db2.gz BGLHXZXWVBMOPG-HNNXBMFYSA-N 1 0 386.945 2.694 20 0 GFADRO Cc1ccc([C@@H](CCn2cncn2)[NH2+]CCn2cc(Br)cn2)cc1 ZINC000285540011 563525720 /nfs/dbraw/zinc/52/57/20/563525720.db2.gz DDJMUUCIIVFKRB-QGZVFWFLSA-N 1 0 389.301 2.967 20 0 GFADRO C[C@H](O)C[C@@H]1CCCCC[N@@H+]1Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000392248135 563526246 /nfs/dbraw/zinc/52/62/46/563526246.db2.gz GWFCSEPYWVQLOO-BBRMVZONSA-N 1 0 394.313 2.973 20 0 GFADRO CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NS(=O)(=O)c1c(Cl)cnn1C ZINC000429884182 563527158 /nfs/dbraw/zinc/52/71/58/563527158.db2.gz XKYKODHXVZGLQI-MRXNPFEDSA-N 1 0 384.933 2.508 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCC[C@H]1CCO)C(=O)N(C)Cc1ccc(Br)cc1 ZINC000285593639 563528013 /nfs/dbraw/zinc/52/80/13/563528013.db2.gz BOKWPNHQCVROSD-JLJPHGGASA-N 1 0 383.330 2.937 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2cc3ccc(Br)cn3n2)[C@H](C)C1 ZINC000429952209 563530298 /nfs/dbraw/zinc/53/02/98/563530298.db2.gz WLEYWDYEAQTUIE-DOMZBBRYSA-N 1 0 394.317 3.291 20 0 GFADRO COCC[NH+](CCOC)C1CCN(Cc2ccc(Cl)nc2Cl)CC1 ZINC000285650959 563530804 /nfs/dbraw/zinc/53/08/04/563530804.db2.gz ZWDAZBMGCFPOOX-UHFFFAOYSA-N 1 0 376.328 2.948 20 0 GFADRO CCn1c(C[NH2+][C@@H]2CCC(=O)NC2(C)C)nc2cc(Br)ccc21 ZINC000430081613 563532174 /nfs/dbraw/zinc/53/21/74/563532174.db2.gz QJDIVORVHVZHHP-CQSZACIVSA-N 1 0 379.302 2.966 20 0 GFADRO CS(=O)(=O)N1CCC[C@@H]([NH2+][C@@H]2CCc3sc(Br)cc32)C1 ZINC000400123917 563534527 /nfs/dbraw/zinc/53/45/27/563534527.db2.gz BPERAMMIKHIFJN-MWLCHTKSSA-N 1 0 379.345 2.512 20 0 GFADRO CC[C@@H](C(=O)NC[C@H](CO)Cc1ccc(Br)cc1)[NH+](CC)CC ZINC000430135886 563535114 /nfs/dbraw/zinc/53/51/14/563535114.db2.gz HDDIGRYKDDYTBT-WBVHZDCISA-N 1 0 385.346 2.837 20 0 GFADRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)CCS(=O)(=O)c1ccc(Cl)cc1 ZINC000285749477 563535229 /nfs/dbraw/zinc/53/52/29/563535229.db2.gz JWCPGVCIGBAPEC-ZBFHGGJFSA-N 1 0 384.929 2.589 20 0 GFADRO CC(C)[NH+]1CCC(C(=O)NC[C@H](CO)Cc2cccc(Br)c2)CC1 ZINC000430148021 563536004 /nfs/dbraw/zinc/53/60/04/563536004.db2.gz KIKCXYTYXXHCCV-MRXNPFEDSA-N 1 0 397.357 2.837 20 0 GFADRO O[C@@]1(CC[NH2+]Cc2ccc(Br)c(Br)c2)CCOC1 ZINC000404198568 563536688 /nfs/dbraw/zinc/53/66/88/563536688.db2.gz IZGLGRDZBZHXED-ZDUSSCGKSA-N 1 0 379.092 2.843 20 0 GFADRO C[C@]1(CO)CCC[C@@H]1[NH2+]CC(=O)Nc1c(F)cc(F)cc1Br ZINC000331144909 563536981 /nfs/dbraw/zinc/53/69/81/563536981.db2.gz GUYKLIZMZMWDDQ-SWLSCSKDSA-N 1 0 377.229 2.807 20 0 GFADRO Brc1cccc(-c2noc(Cn3cc(C4CC[NH2+]CC4)nn3)n2)c1 ZINC000404667010 563536992 /nfs/dbraw/zinc/53/69/92/563536992.db2.gz VLSVGMFYOBISNL-UHFFFAOYSA-N 1 0 389.257 2.606 20 0 GFADRO CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](CO)Cc1ccc(Br)cc1 ZINC000430160952 563537465 /nfs/dbraw/zinc/53/74/65/563537465.db2.gz CPSPFKDIHARMIJ-RDJZCZTQSA-N 1 0 383.330 2.591 20 0 GFADRO C[C@@H]([NH2+]CCn1cc(Br)cn1)c1cccc(N2CCOCC2)c1 ZINC000285797959 563537531 /nfs/dbraw/zinc/53/75/31/563537531.db2.gz VUAOCXSYYXGYAL-CQSZACIVSA-N 1 0 379.302 2.833 20 0 GFADRO C[C@@H](C(=O)NC[C@H](CO)Cc1ccc(Br)cc1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000430169264 563537977 /nfs/dbraw/zinc/53/79/77/563537977.db2.gz PCNMFQDTOUYFOX-QSJFSLAZSA-N 1 0 397.357 2.978 20 0 GFADRO CC[C@H](C(=O)NC[C@H](CO)Cc1ccccc1Br)[NH+](CC)CC ZINC000430177916 563538074 /nfs/dbraw/zinc/53/80/74/563538074.db2.gz KWPCDLNULAHSPP-RHSMWYFYSA-N 1 0 385.346 2.837 20 0 GFADRO C[C@H]1C[C@H](N2CCOCC2)CN1C(=O)/C=C/c1ccc(Br)s1 ZINC000285825784 563538962 /nfs/dbraw/zinc/53/89/62/563538962.db2.gz OBUUEDIJLAIOCH-CDBNLRSOSA-N 1 0 385.327 2.845 20 0 GFADRO O=C(C[C@@H]1CCC[NH2+]1)N1CCC(C(=O)Nc2cccc(Br)c2)CC1 ZINC000430255032 563539799 /nfs/dbraw/zinc/53/97/99/563539799.db2.gz HREPVDRJBNXGIV-HNNXBMFYSA-N 1 0 394.313 2.768 20 0 GFADRO [NH3+]CC[C@H]1CCCCN1C(=O)c1cnn(-c2ccc(Br)cc2)c1 ZINC000285959052 563543887 /nfs/dbraw/zinc/54/38/87/563543887.db2.gz GTYDFVQALHZZOW-OAHLLOKOSA-N 1 0 377.286 2.978 20 0 GFADRO C[C@@H]([NH2+]CC1(c2ccc(Br)cc2)CCOCC1)c1ccc(=O)[nH]n1 ZINC000285982675 563544686 /nfs/dbraw/zinc/54/46/86/563544686.db2.gz HSFACCBCCZYRLG-CYBMUJFWSA-N 1 0 392.297 2.931 20 0 GFADRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)Cc1cc[nH]c(=O)c1Br ZINC000331333981 563545860 /nfs/dbraw/zinc/54/58/60/563545860.db2.gz WKELIXVJBQYTHZ-JHJVBQTASA-N 1 0 384.318 2.575 20 0 GFADRO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)Cc2cc[nH]c(=O)c2Br)C1 ZINC000331334378 563546505 /nfs/dbraw/zinc/54/65/05/563546505.db2.gz WUBBFHOHHVTZDO-LBPRGKRZSA-N 1 0 384.318 2.719 20 0 GFADRO C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1NC(=O)c1nn(-c2ccc(F)cc2)cc1Br ZINC000286065114 563547046 /nfs/dbraw/zinc/54/70/46/563547046.db2.gz LZALXPSRGJHSRD-JRPNMDOOSA-N 1 0 395.276 2.890 20 0 GFADRO CC[C@H](C[C@@H](C)CO)[NH2+][C@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430719058 563548395 /nfs/dbraw/zinc/54/83/95/563548395.db2.gz DHDUPYZSTUYGSI-NQBHXWOUSA-N 1 0 393.347 2.544 20 0 GFADRO Cc1ccnc(C(=O)Nc2cc(Br)ccc2N2CC[NH+](C)CC2)n1 ZINC000331395568 563548375 /nfs/dbraw/zinc/54/83/75/563548375.db2.gz MPPBKIBEFQMDSQ-UHFFFAOYSA-N 1 0 390.285 2.552 20 0 GFADRO CCS[C@H]1CCC[C@H]1[NH2+]CC(=O)Nc1cc(-n2cnnn2)ccc1Cl ZINC000286250326 563553687 /nfs/dbraw/zinc/55/36/87/563553687.db2.gz SDAGOQUMOKVSDD-HIFRSBDPSA-N 1 0 380.905 2.518 20 0 GFADRO Cc1ccc(Cl)c(OC[C@H](O)C[N@@H+]2CC[C@H](C(F)(F)F)[C@H](CO)C2)c1 ZINC000286342135 563557264 /nfs/dbraw/zinc/55/72/64/563557264.db2.gz FCIAPLDFISKSIT-MJBXVCDLSA-N 1 0 381.822 2.881 20 0 GFADRO CC(C)[NH2+]C1CCN(C(=O)C(=O)NCCc2cc(Cl)cc(Cl)c2)CC1 ZINC000286404482 563558967 /nfs/dbraw/zinc/55/89/67/563558967.db2.gz DWCGMQOMPAMCLW-UHFFFAOYSA-N 1 0 386.323 2.641 20 0 GFADRO COCC[NH+](CCOC)C1CCN(C(=O)c2cnc(Cl)c(Cl)c2)CC1 ZINC000286401846 563559042 /nfs/dbraw/zinc/55/90/42/563559042.db2.gz VOCYXLUBBVDJRH-UHFFFAOYSA-N 1 0 390.311 2.588 20 0 GFADRO CN(C(=O)NC[C@]1(C)CCC[NH2+]C1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000331728004 563559477 /nfs/dbraw/zinc/55/94/77/563559477.db2.gz ZEHJIUOGKQWDDI-SOLBZPMBSA-N 1 0 386.323 2.983 20 0 GFADRO COCC[N@H+](C)CCCNC(=O)[C@H]1C[C@@]12CCc1cc(Br)ccc12 ZINC000409452320 563560603 /nfs/dbraw/zinc/56/06/03/563560603.db2.gz HNJQKKSCNGYMSZ-IEBWSBKVSA-N 1 0 395.341 2.738 20 0 GFADRO O=C(CNc1ncc(Cl)cc1Br)NCC[NH+]1CCCCCC1 ZINC000431501257 563561612 /nfs/dbraw/zinc/56/16/12/563561612.db2.gz DKTWKNLEHSDMCB-UHFFFAOYSA-N 1 0 389.725 2.902 20 0 GFADRO Cc1cc(C)c(S(=O)(=O)NCCc2ccc(OCC[NH+](C)C)cc2)s1 ZINC000431534049 563562218 /nfs/dbraw/zinc/56/22/18/563562218.db2.gz UWEBHOIGCVGGAY-UHFFFAOYSA-N 1 0 382.551 2.826 20 0 GFADRO C[NH+]1CCC(CCNC(=O)C(=O)NCCc2cc(Cl)cc(Cl)c2)CC1 ZINC000286584912 563566610 /nfs/dbraw/zinc/56/66/10/563566610.db2.gz VKHBZBHZUIUEAR-UHFFFAOYSA-N 1 0 386.323 2.500 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N[C@H]2C[N@H+](C3CC3)C[C@H]2C)c(Br)c1 ZINC000431715863 563567100 /nfs/dbraw/zinc/56/71/00/563567100.db2.gz OCSCGUAKLZCNII-DOMZBBRYSA-N 1 0 394.313 2.603 20 0 GFADRO CC1CC[NH+](C[C@@H](O)CNC(=O)C2(c3ccc(Br)cc3)CC2)CC1 ZINC000409723769 563569110 /nfs/dbraw/zinc/56/91/10/563569110.db2.gz USAXVVVJPBHIIB-KRWDZBQOSA-N 1 0 395.341 2.690 20 0 GFADRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3cn4ccc(Br)cc4n3)CC[C@@H]21 ZINC000286651124 563569348 /nfs/dbraw/zinc/56/93/48/563569348.db2.gz CKHHAJSCEWRNQG-WFASDCNBSA-N 1 0 377.286 2.653 20 0 GFADRO CC1CC[NH+](C[C@@H](O)CNC(=O)COc2cc(Cl)ccc2Cl)CC1 ZINC000409721487 563569513 /nfs/dbraw/zinc/56/95/13/563569513.db2.gz LIGNYHNTTKDVRL-AWEZNQCLSA-N 1 0 375.296 2.581 20 0 GFADRO O=C(N[C@H](CO)c1cccc(Cl)c1F)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000331984101 563569987 /nfs/dbraw/zinc/56/99/87/563569987.db2.gz YNKGZGJYLCELPX-CZUORRHYSA-N 1 0 386.920 2.846 20 0 GFADRO CC1=CC[N@H+](CCNC(=O)N[C@@H]2COc3cc(F)c(Br)cc32)CC1 ZINC000409783749 563571399 /nfs/dbraw/zinc/57/13/99/563571399.db2.gz MGVMWUODDJTLGF-OAHLLOKOSA-N 1 0 398.276 2.973 20 0 GFADRO CC[N@H+](CCNC(=O)C(=O)Nc1c(C)cc(C)cc1Br)C(C)C ZINC000431997337 563572614 /nfs/dbraw/zinc/57/26/14/563572614.db2.gz GENUQTLEDBYSSG-UHFFFAOYSA-N 1 0 384.318 2.851 20 0 GFADRO Cc1cc(NC(=O)C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@H]32)cc(C)c1Br ZINC000332043142 563572906 /nfs/dbraw/zinc/57/29/06/563572906.db2.gz LDLOXGLLNKNWHA-UKRRQHHQSA-N 1 0 394.313 2.557 20 0 GFADRO COCC[N@H+](C)CCNC(=O)N1CC[C@@H](Cc2ccc(Br)cc2)C1 ZINC000432074061 563574246 /nfs/dbraw/zinc/57/42/46/563574246.db2.gz ZTRYVGKWYPIYGE-INIZCTEOSA-N 1 0 398.345 2.601 20 0 GFADRO COCC[N@H+](C)CCNC(=O)N1CC[C@H](Cc2ccc(Br)cc2)C1 ZINC000432074062 563574503 /nfs/dbraw/zinc/57/45/03/563574503.db2.gz ZTRYVGKWYPIYGE-MRXNPFEDSA-N 1 0 398.345 2.601 20 0 GFADRO C[C@@H](O)C[N@H+](C)C1CCN(C(=O)[C@H](C)Oc2ccc(Br)cc2)CC1 ZINC000409964999 563576708 /nfs/dbraw/zinc/57/67/08/563576708.db2.gz UIUPDNXWOBNBGW-KGLIPLIRSA-N 1 0 399.329 2.520 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)Nc3cccc(I)c3)C[C@H]21 ZINC000332158993 563580396 /nfs/dbraw/zinc/58/03/96/563580396.db2.gz KENKAXJDADXARJ-LERXQTSPSA-N 1 0 385.249 2.882 20 0 GFADRO C[C@@H]([NH2+][C@@H]1CCCN(S(=O)(=O)c2cccs2)C1)c1cccc(CO)c1 ZINC000286952499 563581917 /nfs/dbraw/zinc/58/19/17/563581917.db2.gz HKPLFUBFEKAESP-RHSMWYFYSA-N 1 0 380.535 2.744 20 0 GFADRO C[C@H]1C[N@H+](CCCNCc2cc(Br)cc3c2OCC3)CCCO1 ZINC000432362825 563582024 /nfs/dbraw/zinc/58/20/24/563582024.db2.gz PIXKUGZKZFJXJV-AWEZNQCLSA-N 1 0 383.330 2.975 20 0 GFADRO O=C(Nc1c(F)cccc1Br)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000332214133 563583959 /nfs/dbraw/zinc/58/39/59/563583959.db2.gz TYWISJNCGWLGSZ-GFCCVEGCSA-N 1 0 398.276 2.614 20 0 GFADRO C[C@@H](C[NH+](C)C)NC(=O)Nc1cc(F)c(F)cc1I ZINC000287022813 563584361 /nfs/dbraw/zinc/58/43/61/563584361.db2.gz HLDIKZJXCUSPQP-ZETCQYMHSA-N 1 0 383.180 2.641 20 0 GFADRO CC[C@H](CNC(=O)c1nn(C)cc1Br)[N@@H+]1CCc2ccccc2C1 ZINC000432506428 563585653 /nfs/dbraw/zinc/58/56/53/563585653.db2.gz UBFQFVGHOCQZFA-OAHLLOKOSA-N 1 0 391.313 2.749 20 0 GFADRO C[C@@H]([NH3+])C1CCN(C(=O)N[C@@H]2COc3cc(F)c(Br)cc32)CC1 ZINC000332261786 563588034 /nfs/dbraw/zinc/58/80/34/563588034.db2.gz NVXIEDORXBOZEV-YMTOWFKASA-N 1 0 386.265 2.791 20 0 GFADRO CCCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@H+](C[C@](C)(O)C(F)(F)F)C1 ZINC000410386905 563588740 /nfs/dbraw/zinc/58/87/40/563588740.db2.gz DYRCNARBTWFTNT-AAEUAGOBSA-N 1 0 378.357 2.813 20 0 GFADRO Cn1cc(Br)c(C(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)n1 ZINC000432644173 563589386 /nfs/dbraw/zinc/58/93/86/563589386.db2.gz LLDCYHCVABDZJK-UHFFFAOYSA-N 1 0 395.276 2.716 20 0 GFADRO Cc1cc(NC(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc(C)c1Br ZINC000332302639 563591502 /nfs/dbraw/zinc/59/15/02/563591502.db2.gz GFYBTTFQGCLPJN-CFVMTHIKSA-N 1 0 394.313 2.590 20 0 GFADRO C[C@H]([NH2+]CC1(c2cccc(Br)c2)CCOCC1)c1nncn1C ZINC000287199404 563591557 /nfs/dbraw/zinc/59/15/57/563591557.db2.gz LQFRCBGOTNNSBM-ZDUSSCGKSA-N 1 0 379.302 2.977 20 0 GFADRO COc1cc(Cl)c(S(=O)(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)cc1Cl ZINC000332332709 563593551 /nfs/dbraw/zinc/59/35/51/563593551.db2.gz QPDXQCHWAHYJPI-CHWSQXEVSA-N 1 0 379.309 2.907 20 0 GFADRO O=C(Nc1cc(Cl)c(Cl)cc1Cl)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000332342083 563594424 /nfs/dbraw/zinc/59/44/24/563594424.db2.gz SEMKCDFKYGUPTJ-DTWKUNHWSA-N 1 0 376.671 2.653 20 0 GFADRO CC[N@@H+]1CCCN(C(=O)Nc2cccc(C(=O)OC)c2Br)CC1 ZINC000332374448 563595573 /nfs/dbraw/zinc/59/55/73/563595573.db2.gz WKHPCNPGPVRXLZ-UHFFFAOYSA-N 1 0 384.274 2.795 20 0 GFADRO Cc1[nH]c(=O)c(Br)cc1C(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000332377287 563595800 /nfs/dbraw/zinc/59/58/00/563595800.db2.gz DYOPPUQYSOKJJG-UHFFFAOYSA-N 1 0 382.302 2.949 20 0 GFADRO Cc1cc(N2CCC[C@H]([NH2+]Cc3cc(O)ccc3Br)C2)n(C)n1 ZINC000332432108 563598189 /nfs/dbraw/zinc/59/81/89/563598189.db2.gz QDYYXOSDIUCNTC-AWEZNQCLSA-N 1 0 379.302 2.955 20 0 GFADRO CC[NH+](CC)CCN(CCOC)S(=O)(=O)c1cc(Cl)c(OC)cc1C ZINC000432993584 563599657 /nfs/dbraw/zinc/59/96/57/563599657.db2.gz CVUCETHVAQZPKZ-UHFFFAOYSA-N 1 0 392.949 2.636 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC000332559943 563603964 /nfs/dbraw/zinc/60/39/64/563603964.db2.gz OHECMWQEDJYXGO-CHWSQXEVSA-N 1 0 382.302 2.685 20 0 GFADRO O=C([C@@H]1CC[N@@H+](C[C@H](O)COc2cc(Cl)ccc2Cl)C1)N1CCCC1 ZINC000287501358 563604442 /nfs/dbraw/zinc/60/44/42/563604442.db2.gz UCBAKLOKHGXEIW-HIFRSBDPSA-N 1 0 387.307 2.677 20 0 GFADRO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000332557366 563604410 /nfs/dbraw/zinc/60/44/10/563604410.db2.gz SKWGENIPKGZZOF-SWLSCSKDSA-N 1 0 386.327 2.738 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)C[N@H+]1CCC[C@H]1C ZINC000332563101 563604894 /nfs/dbraw/zinc/60/48/94/563604894.db2.gz SQVBCGRCPGVIGI-CYBMUJFWSA-N 1 0 382.302 2.639 20 0 GFADRO C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H](Cc3ccc(Br)cc3)C2)C[C@@H](C)O1 ZINC000433319349 563608935 /nfs/dbraw/zinc/60/89/35/563608935.db2.gz ODLNDDMOYSZHEZ-INMHGKMJSA-N 1 0 395.341 2.949 20 0 GFADRO CC(C)NC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@H](Cc2ccc(Br)cc2)C1 ZINC000433295557 563609211 /nfs/dbraw/zinc/60/92/11/563609211.db2.gz DOIMZRFXYVQDFD-DZGCQCFKSA-N 1 0 396.329 2.936 20 0 GFADRO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N[C@@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000411193065 563609443 /nfs/dbraw/zinc/60/94/43/563609443.db2.gz NJDBKJRSMDXWQT-GWCFXTLKSA-N 1 0 379.810 2.516 20 0 GFADRO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1cc(C)c(Br)c(F)c1 ZINC000411241322 563611249 /nfs/dbraw/zinc/61/12/49/563611249.db2.gz IWYCFQRBGMWWBV-LLVKDONJSA-N 1 0 388.281 2.682 20 0 GFADRO CCOc1ccc(Br)cc1NC(=O)c1ncn([C@H]2CCC[NH2+]C2)n1 ZINC000433373066 563611748 /nfs/dbraw/zinc/61/17/48/563611748.db2.gz FVYDVKGOGXHPLY-LBPRGKRZSA-N 1 0 394.273 2.616 20 0 GFADRO O=C(Nc1ccc(Cl)c(Br)c1)c1ncn([C@H]2CCC[NH2+]C2)n1 ZINC000433422334 563612080 /nfs/dbraw/zinc/61/20/80/563612080.db2.gz RHQGLRUFDLCQNY-JTQLQIEISA-N 1 0 384.665 2.871 20 0 GFADRO C[C@@H]1CCN(C(=O)N[C@H]2CCN(c3cccc(Br)c3)C2)C[C@@H]1C[NH3+] ZINC000332699486 563612474 /nfs/dbraw/zinc/61/24/74/563612474.db2.gz SGAWMFUUCPOIBQ-YCPHGPKFSA-N 1 0 395.345 2.654 20 0 GFADRO Cc1ccc(S(=O)(=O)NC[C@@H]2CCC[N@H+](CCc3cncs3)C2)cc1 ZINC000411352090 563615987 /nfs/dbraw/zinc/61/59/87/563615987.db2.gz JOUAQICKMVYVSI-INIZCTEOSA-N 1 0 379.551 2.685 20 0 GFADRO O=C(N[C@H](c1cncc(Br)c1)C1CC1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000287752872 563616423 /nfs/dbraw/zinc/61/64/23/563616423.db2.gz INXSDKIMDGTNLI-SJORKVTESA-N 1 0 391.313 2.951 20 0 GFADRO O=C1Nc2cc(Cl)ccc2[C@H]1C1CC[NH+](C[C@H]2CCS(=O)(=O)C2)CC1 ZINC000333031749 563618273 /nfs/dbraw/zinc/61/82/73/563618273.db2.gz MJBXETKJNLUMTB-SJKOYZFVSA-N 1 0 382.913 2.522 20 0 GFADRO CS[C@H]1C[N@H+](CCC(=O)Nc2ccc(Br)cc2)C[C@H]1N(C)C ZINC000411426307 563619014 /nfs/dbraw/zinc/61/90/14/563619014.db2.gz PKSDDTCDDFPUOA-CABCVRRESA-N 1 0 386.359 2.755 20 0 GFADRO O=C(Nc1cc(Br)ccc1-n1cccn1)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000333181664 563623426 /nfs/dbraw/zinc/62/34/26/563623426.db2.gz PXBZOGUVDKGHLW-CHWSQXEVSA-N 1 0 390.285 2.708 20 0 GFADRO O=C(COc1ccc(Cl)cc1Cl)N1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000333230332 563624941 /nfs/dbraw/zinc/62/49/41/563624941.db2.gz BVKXDCFJGPRGEI-HIFRSBDPSA-N 1 0 385.291 2.599 20 0 GFADRO O=C(c1sccc1Br)N1CCC(n2ncc3c2C[NH2+]C3)CC1 ZINC000333237995 563625356 /nfs/dbraw/zinc/62/53/56/563625356.db2.gz AMJWRAGVZUNPMG-UHFFFAOYSA-N 1 0 381.299 2.788 20 0 GFADRO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(C(=O)Cc2ccccc2Br)CC1 ZINC000333260035 563626287 /nfs/dbraw/zinc/62/62/87/563626287.db2.gz ISFFKDGEERNYEN-SJLPKXTDSA-N 1 0 381.314 2.737 20 0 GFADRO O=C(Nc1nnc(-c2c(F)cccc2Cl)s1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000333300114 563627303 /nfs/dbraw/zinc/62/73/03/563627303.db2.gz KGVDVNXEIKPPDV-CABZTGNLSA-N 1 0 381.864 3.213 20 0 GFADRO O=C(CC[N@@H+](CCO)[C@@H]1CCCSC1)Nc1cccc(Br)c1 ZINC000411668382 563628319 /nfs/dbraw/zinc/62/83/19/563628319.db2.gz PGVJDHBQECNZLG-OAHLLOKOSA-N 1 0 387.343 2.968 20 0 GFADRO [NH3+][C@H]1CCO[C@H](C2CCN(C(=O)c3c(F)cccc3Br)CC2)C1 ZINC000333331931 563628583 /nfs/dbraw/zinc/62/85/83/563628583.db2.gz WIXCEZMMZINUSB-WFASDCNBSA-N 1 0 385.277 2.947 20 0 GFADRO O=C1CCC[C@@H]1[C@@H]1COCCN1C[C@@H](O)COc1ccc(Cl)cc1Cl ZINC000333339865 563628820 /nfs/dbraw/zinc/62/88/20/563628820.db2.gz SQLZJGVQEOICLP-FMKPAKJESA-N 1 0 388.291 2.803 20 0 GFADRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)Nc3ccc4nccnc4c3Br)C[C@H]21 ZINC000333370513 563629526 /nfs/dbraw/zinc/62/95/26/563629526.db2.gz UYWFAEMVVHIDPT-QJPTWQEYSA-N 1 0 390.285 2.983 20 0 GFADRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)NCC3(c4cccc(Br)c4)CC3)C[C@@H]12 ZINC000333396947 563630812 /nfs/dbraw/zinc/63/08/12/563630812.db2.gz PMNBIKOYOIMZJH-DAXOMENPSA-N 1 0 378.314 2.859 20 0 GFADRO CSc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@@](O)(C(F)(F)F)CC2)cc1 ZINC000411716251 563631057 /nfs/dbraw/zinc/63/10/57/563631057.db2.gz FQPOZOVHCZEKAC-BBRMVZONSA-N 1 0 379.444 2.928 20 0 GFADRO CC[NH+]1CCC(NC(=O)CN[C@H](C)c2ccc(Br)cc2F)CC1 ZINC000411733602 563631678 /nfs/dbraw/zinc/63/16/78/563631678.db2.gz WAGZDZASHXKFJH-GFCCVEGCSA-N 1 0 386.309 2.839 20 0 GFADRO O=C(NC[C@H]1CCCC[N@@H+]1C1CC1)C(=O)Nc1cc(Br)ccc1F ZINC000434561284 563632007 /nfs/dbraw/zinc/63/20/07/563632007.db2.gz INNWNLNCVNPEGE-CYBMUJFWSA-N 1 0 398.276 2.660 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000434561324 563632415 /nfs/dbraw/zinc/63/24/15/563632415.db2.gz JFZXOPRKBLDBHH-HNNXBMFYSA-N 1 0 394.313 2.829 20 0 GFADRO COc1cc2[nH+]ccc(N3CC[C@@]4(CNC(=O)C4)C3)c2cc1Br ZINC000333469306 563633315 /nfs/dbraw/zinc/63/33/15/563633315.db2.gz NGWCMRBAMQULNI-QGZVFWFLSA-N 1 0 376.254 2.722 20 0 GFADRO COc1ccc(Br)cc1C(=O)CCC(=O)NC1(C)CC[NH2+]CC1 ZINC000434676427 563634303 /nfs/dbraw/zinc/63/43/03/563634303.db2.gz RBJKQCXOWFFESJ-UHFFFAOYSA-N 1 0 383.286 2.679 20 0 GFADRO C[C@@H](C(=O)Nc1cccc(I)c1)[N@H+](C)CCCCCO ZINC000434668978 563634732 /nfs/dbraw/zinc/63/47/32/563634732.db2.gz FIHFZJDLLGWGQN-LBPRGKRZSA-N 1 0 390.265 2.713 20 0 GFADRO C[C@H](Sc1ccc(Cl)cc1)C(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000434709242 563635557 /nfs/dbraw/zinc/63/55/57/563635557.db2.gz ULSRZFCCKMEXOY-ZFWWWQNUSA-N 1 0 383.945 2.667 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]1C1CCN(C(=O)NCc2cc(Br)cs2)CC1 ZINC000333588246 563635893 /nfs/dbraw/zinc/63/58/93/563635893.db2.gz AUFVYQMCQTZCKI-KGLIPLIRSA-N 1 0 388.331 2.548 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000333610110 563636810 /nfs/dbraw/zinc/63/68/10/563636810.db2.gz RVRGIZUVMRBKIZ-LSDHHAIUSA-N 1 0 392.301 2.758 20 0 GFADRO [NH3+][C@@H]1CCCO[C@H]1C1CCN(S(=O)(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000333636673 563637216 /nfs/dbraw/zinc/63/72/16/563637216.db2.gz HLFPYIIVKZYSLK-ZBFHGGJFSA-N 1 0 393.336 2.900 20 0 GFADRO O=C(N[C@H]1CCC[NH2+]C1)N1CCO[C@H](c2cc(F)c(Cl)cc2Cl)C1 ZINC000333637652 563637358 /nfs/dbraw/zinc/63/73/58/563637358.db2.gz HQAADEGHCJLZIX-BONVTDFDSA-N 1 0 376.259 2.967 20 0 GFADRO C[C@H]1[C@@H](NS(=O)(=O)Cc2ccc(Cl)nc2)CC[N@@H+]1Cc1ccccc1 ZINC000288299893 563637488 /nfs/dbraw/zinc/63/74/88/563637488.db2.gz GRSVILFKDSCDLM-YOEHRIQHSA-N 1 0 379.913 2.817 20 0 GFADRO COC[C@@H]([NH2+]CC(=O)N(C)Cc1cc(Cl)cc(Cl)c1)[C@@H]1CCCO1 ZINC000434782469 563638714 /nfs/dbraw/zinc/63/87/14/563638714.db2.gz DBGQAAGRLCAOPI-CVEARBPZSA-N 1 0 375.296 2.735 20 0 GFADRO COC(=O)[C@H]1CN(Cc2cc(Br)cc3cccnc32)CC[N@H+](C)C1 ZINC000411902006 563640403 /nfs/dbraw/zinc/64/04/03/563640403.db2.gz HLBRPKKDZRSOSI-OAHLLOKOSA-N 1 0 392.297 2.534 20 0 GFADRO [NH3+][C@H]1CCCO[C@@H]1C1CCN(S(=O)(=O)c2csc3ccccc32)CC1 ZINC000333754111 563641378 /nfs/dbraw/zinc/64/13/78/563641378.db2.gz ZMFNNZUBFZDSTJ-MAUKXSAKSA-N 1 0 380.535 2.808 20 0 GFADRO CCOc1cc(C[NH2+][C@H](C)CF)cc(Br)c1OCC(=O)N(C)C ZINC000288404692 563641615 /nfs/dbraw/zinc/64/16/15/563641615.db2.gz IHRCHSDVHBYEOE-LLVKDONJSA-N 1 0 391.281 2.762 20 0 GFADRO Cc1c(C(=O)N2CCC3(CC[NH2+]3)CC2)cnn1-c1cccc(Br)c1 ZINC000333827215 563643141 /nfs/dbraw/zinc/64/31/41/563643141.db2.gz LUQGTPJPDPONTQ-UHFFFAOYSA-N 1 0 389.297 2.911 20 0 GFADRO NC(=O)[C@@]1(c2ccccc2)CC[N@H+](CCOc2cccc(Br)c2)C1 ZINC000411971215 563643180 /nfs/dbraw/zinc/64/31/80/563643180.db2.gz SUXJGSPHMPMJAD-IBGZPJMESA-N 1 0 389.293 2.957 20 0 GFADRO C[C@H]1C[C@@H](N(C)C(=O)C(C)(C)S(=O)(=O)c2ccc(Cl)cc2)CC[N@@H+]1C ZINC000288443717 563643544 /nfs/dbraw/zinc/64/35/44/563643544.db2.gz MFLKVRNKQRTYKJ-ZFWWWQNUSA-N 1 0 386.945 2.833 20 0 GFADRO CN(Cc1c(F)cccc1Cl)S(=O)(=O)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000333851754 563643823 /nfs/dbraw/zinc/64/38/23/563643823.db2.gz NSEZKVGSIIMQFM-GUYCJALGSA-N 1 0 389.924 2.620 20 0 GFADRO Brc1cncc(CNCc2ccncc2OC[C@@H]2CCOC2)c1 ZINC000288468940 563644001 /nfs/dbraw/zinc/64/40/01/563644001.db2.gz OSNWVMQDXMQCBA-CYBMUJFWSA-N 1 0 378.270 2.944 20 0 GFADRO CC1CCN(S(=O)(=O)N(Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)CC1 ZINC000333886921 563644720 /nfs/dbraw/zinc/64/47/20/563644720.db2.gz WDKOJHVVSFOGHY-KRWDZBQOSA-N 1 0 383.583 2.669 20 0 GFADRO C[C@@H](CNS(=O)(=O)c1cc(F)ccc1Br)[NH+]1CCC(C)CC1 ZINC000435216956 563645187 /nfs/dbraw/zinc/64/51/87/563645187.db2.gz OIVIPOVVRQIZCE-LBPRGKRZSA-N 1 0 393.322 2.987 20 0 GFADRO COC(=O)[C@H]1CSCC[N@H+](C[C@@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000412062287 563645936 /nfs/dbraw/zinc/64/59/36/563645936.db2.gz BGVRNQXMPOZSII-VXGBXAGGSA-N 1 0 394.320 2.571 20 0 GFADRO CCOc1c(Br)cc(C(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)cc1OC ZINC000435236642 563646954 /nfs/dbraw/zinc/64/69/54/563646954.db2.gz TXQGPYZLRHRSDI-CYBMUJFWSA-N 1 0 383.286 2.823 20 0 GFADRO C[C@H]1[NH2+]CCC[C@H]1C(=O)Nc1cc(Br)ccc1N1CCOCC1 ZINC000288573905 563648154 /nfs/dbraw/zinc/64/81/54/563648154.db2.gz HRVONYIALWJAQV-TZMCWYRMSA-N 1 0 382.302 2.612 20 0 GFADRO CNc1cc(I)ccc1C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000412126075 563648387 /nfs/dbraw/zinc/64/83/87/563648387.db2.gz DVBBWNHVCZISIX-ZYHUDNBSSA-N 1 0 387.265 2.545 20 0 GFADRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1ccc(Cl)c(NS(C)(=O)=O)c1 ZINC000334010893 563649984 /nfs/dbraw/zinc/64/99/84/563649984.db2.gz SKAXOGUMKUGDKE-STQMWFEESA-N 1 0 387.933 2.562 20 0 GFADRO CC(C)[N@@H+]1CCC[C@H](NS(=O)(=O)c2cc(Br)c(F)cc2F)C1 ZINC000435447753 563652354 /nfs/dbraw/zinc/65/23/54/563652354.db2.gz RAPSXRVKLXHLEZ-JTQLQIEISA-N 1 0 397.285 2.878 20 0 GFADRO CN(Cc1nc(Cc2cccc(Br)c2)no1)[C@@H]1CCC[NH2+]CC1 ZINC000435626904 563655472 /nfs/dbraw/zinc/65/54/72/563655472.db2.gz PXJLSLIKWSPCKO-OAHLLOKOSA-N 1 0 379.302 2.997 20 0 GFADRO CCN(CC(=O)N(C)Cc1ccccc1Br)[C@H]1CCC[NH2+]CC1 ZINC000435626503 563655550 /nfs/dbraw/zinc/65/55/50/563655550.db2.gz KRHUWSJNZCXSHJ-INIZCTEOSA-N 1 0 382.346 2.872 20 0 GFADRO C[NH+](C)C1(CNC(=O)[C@H]2CC(=O)Nc3ccc(Br)cc32)CCCC1 ZINC000435773093 563658577 /nfs/dbraw/zinc/65/85/77/563658577.db2.gz JNJITYUXZDNWHZ-AWEZNQCLSA-N 1 0 394.313 2.866 20 0 GFADRO C[S@](=O)c1ccc(CC(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)cc1 ZINC000436071319 563663571 /nfs/dbraw/zinc/66/35/71/563663571.db2.gz PFVDAWMOODQGOI-GKVSMKOHSA-N 1 0 376.547 2.981 20 0 GFADRO C[C@@H](O)C[N@H+](Cc1ccc(I)c(Cl)c1)[C@H](C)CO ZINC000436099853 563664323 /nfs/dbraw/zinc/66/43/23/563664323.db2.gz DYHAESVZYCCVPY-NXEZZACHSA-N 1 0 383.657 2.508 20 0 GFADRO Cc1cc(NC(=O)C(=O)Nc2ccc(OCC[NH+](C)C)c(Cl)c2)sn1 ZINC000289125766 563669059 /nfs/dbraw/zinc/66/90/59/563669059.db2.gz HJQGKMQHBDHCBH-UHFFFAOYSA-N 1 0 382.873 2.623 20 0 GFADRO O=S(=O)(NCCc1cn2ccccc2n1)C1CCC(C(F)(F)F)CC1 ZINC000289219055 563672504 /nfs/dbraw/zinc/67/25/04/563672504.db2.gz UBTJYPFBKGWBIZ-UHFFFAOYSA-N 1 0 375.416 2.917 20 0 GFADRO CN(C)CC[N@H+](C)CCCN(C)C(=O)Nc1cc(Br)ccc1F ZINC000436510217 563672824 /nfs/dbraw/zinc/67/28/24/563672824.db2.gz SVQJHNOMPFZYLC-UHFFFAOYSA-N 1 0 389.313 2.935 20 0 GFADRO Ic1c[nH]c(-c2nc(-c3ccn4c[nH+]cc4c3)no2)c1 ZINC000351116242 563681867 /nfs/dbraw/zinc/68/18/67/563681867.db2.gz ZSRDRLKOYDHLQX-UHFFFAOYSA-N 1 0 377.145 2.984 20 0 GFADRO O=C(N1CC[C@H]2C[NH2+]C[C@@H]2C1)C1(c2ccc(Br)cc2)CCOCC1 ZINC000289696073 563683752 /nfs/dbraw/zinc/68/37/52/563683752.db2.gz KCZWWQZGLRMGAI-LSDHHAIUSA-N 1 0 393.325 2.565 20 0 GFADRO CS[C@H]1CN(C(=O)c2cc(Br)ccc2O)C[C@H]1[NH+]1CCCC1 ZINC000436916462 563684822 /nfs/dbraw/zinc/68/48/22/563684822.db2.gz WMJZEUIJVWHUIP-HIFRSBDPSA-N 1 0 385.327 2.807 20 0 GFADRO C[N@H+](CCCCNc1c(F)cc(S(N)(=O)=O)cc1Br)C1CC1 ZINC000413346654 563689960 /nfs/dbraw/zinc/68/99/60/563689960.db2.gz IMAVRYUWUACLOV-UHFFFAOYSA-N 1 0 394.310 2.522 20 0 GFADRO COc1ccc(OC)c(S(=O)(=O)N(CC[NH+](C)C)Cc2cccs2)c1 ZINC000437288060 563692395 /nfs/dbraw/zinc/69/23/95/563692395.db2.gz MEWTYCOHMALEAQ-UHFFFAOYSA-N 1 0 384.523 2.518 20 0 GFADRO C[NH+](C)CCN(Cc1cccs1)S(=O)(=O)N1CC[C@H]2CCCC[C@@H]2C1 ZINC000437291037 563692466 /nfs/dbraw/zinc/69/24/66/563692466.db2.gz VRHIXSGNYUMKJA-IAGOWNOFSA-N 1 0 385.599 2.869 20 0 GFADRO O=C(c1csc(-c2ccc(Cl)cc2)n1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000290031189 563695177 /nfs/dbraw/zinc/69/51/77/563695177.db2.gz UCXDWZBRPCKDMW-HNNXBMFYSA-N 1 0 376.913 2.583 20 0 GFADRO O=C(Nc1cccc(Br)c1)N1CCC[C@@H]1C[N@H+]1CCC[C@H]1CO ZINC000360890011 563695363 /nfs/dbraw/zinc/69/53/63/563695363.db2.gz QAJWBSFXXWPRSG-CVEARBPZSA-N 1 0 382.302 2.902 20 0 GFADRO Cc1ccc(Br)c(C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)c1 ZINC000361300482 563698692 /nfs/dbraw/zinc/69/86/92/563698692.db2.gz VZIYGQZZZIHXQL-HNNXBMFYSA-N 1 0 380.330 2.610 20 0 GFADRO CCN(CCC[NH+](C)C)C(=O)NCc1cc(Cl)cc(S(=O)(=O)CC)c1 ZINC000413635417 563699815 /nfs/dbraw/zinc/69/98/15/563699815.db2.gz CLRGPJGMLIBRQL-UHFFFAOYSA-N 1 0 389.949 2.617 20 0 GFADRO CCOc1c(Br)cc(C[NH2+]CCS(=O)(=O)C(C)C)cc1OC ZINC000290156875 563699911 /nfs/dbraw/zinc/69/99/11/563699911.db2.gz LNEWUEOHVHLORL-UHFFFAOYSA-N 1 0 394.331 2.769 20 0 GFADRO Cn1ncc(Br)c1CNc1ccc(Cl)c(C[N@H+](C)CCO)c1 ZINC000290231846 563702121 /nfs/dbraw/zinc/70/21/21/563702121.db2.gz YMABCPLTNAOYIT-UHFFFAOYSA-N 1 0 387.709 2.872 20 0 GFADRO O=S(=O)(CC[N@@H+]1CCCC12CCOCC2)c1cccc(Br)c1 ZINC000362051328 563703035 /nfs/dbraw/zinc/70/30/35/563703035.db2.gz BACXTQXNXTTZAV-UHFFFAOYSA-N 1 0 388.327 2.868 20 0 GFADRO C[C@@H]1CN(C(=O)[C@@H]2SCCc3sccc32)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000362066658 563703386 /nfs/dbraw/zinc/70/33/86/563703386.db2.gz NOKPLFGFQMVHTP-UWWQBHOKSA-N 1 0 379.595 2.563 20 0 GFADRO O=C(N[C@@H]1C[C@H]1c1ccc(Br)cc1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000438351386 563704341 /nfs/dbraw/zinc/70/43/41/563704341.db2.gz GOWYHOUFBDVCCZ-IXDOHACOSA-N 1 0 376.298 2.961 20 0 GFADRO Cc1cccc([C@H](O)C[NH2+]C2CCN(S(=O)(=O)c3cccs3)CC2)c1 ZINC000362304847 563705505 /nfs/dbraw/zinc/70/55/05/563705505.db2.gz REDUANWQGCRBGC-QGZVFWFLSA-N 1 0 380.535 2.533 20 0 GFADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccn(-c4cccc(Br)c4)n3)C[C@@H]21 ZINC000362290422 563705566 /nfs/dbraw/zinc/70/55/66/563705566.db2.gz ROOCBBCHHZWIFI-DYVFJYSZSA-N 1 0 389.297 2.801 20 0 GFADRO O=C(N[C@@H](CO)C[NH+]1CCCCC1)c1cc(Cl)c(F)cc1Br ZINC000413794416 563705763 /nfs/dbraw/zinc/70/57/63/563705763.db2.gz CQEJVPROZMZTII-SNVBAGLBSA-N 1 0 393.684 2.818 20 0 GFADRO CC(C)[N@H+](C)C[C@@H](C)NC(=O)C(=O)Nc1cc(F)cc(F)c1Br ZINC000290350060 563706284 /nfs/dbraw/zinc/70/62/84/563706284.db2.gz NTYJOMPDDHRJGS-SECBINFHSA-N 1 0 392.244 2.511 20 0 GFADRO O=C(N[C@@H](CO)C[NH+]1CCCCC1)c1c(Cl)cc(F)cc1Br ZINC000413804482 563706698 /nfs/dbraw/zinc/70/66/98/563706698.db2.gz YRXYGVNYHBCNTK-LLVKDONJSA-N 1 0 393.684 2.818 20 0 GFADRO O=C(CN(CCC(F)(F)F)C[C@H](O)CO)Nc1ccc(Cl)cc1Cl ZINC000438561671 563707501 /nfs/dbraw/zinc/70/75/01/563707501.db2.gz LXYPGILIGZDRES-JTQLQIEISA-N 1 0 389.201 2.540 20 0 GFADRO CN(CC[NH+](C)C)C(=O)NC1CCN(Cc2cccc(Br)c2)CC1 ZINC000413886786 563708891 /nfs/dbraw/zinc/70/88/91/563708891.db2.gz VHGICGZQTKISAJ-UHFFFAOYSA-N 1 0 397.361 2.617 20 0 GFADRO C[C@@H]1CN(C[C@@H](O)C[NH2+]C2(c3ccc(Br)cc3)CCC2)C[C@@H](C)O1 ZINC000438721200 563709482 /nfs/dbraw/zinc/70/94/82/563709482.db2.gz DEFACDYKZKYNON-RKVPGOIHSA-N 1 0 397.357 2.888 20 0 GFADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)[C@@H]1C[C@@H]1c1ccc(Br)cc1 ZINC000362993076 563711673 /nfs/dbraw/zinc/71/16/73/563711673.db2.gz CQCZPSGPXHCLQL-QBPKDAKJSA-N 1 0 379.298 2.532 20 0 GFADRO COC(=O)c1ccc(C[N@@H+]2CC[C@H](C(=O)N3CCCC3)C2)c(Br)c1 ZINC000290492802 563711951 /nfs/dbraw/zinc/71/19/51/563711951.db2.gz ORMIBTXFJQKMCQ-HNNXBMFYSA-N 1 0 395.297 2.680 20 0 GFADRO COC(=O)[C@@H]1CC12CC[NH+](Cc1cn3ccc(Br)cc3n1)CC2 ZINC000290508561 563712098 /nfs/dbraw/zinc/71/20/98/563712098.db2.gz TUVCKGYIIHNQBC-AWEZNQCLSA-N 1 0 378.270 2.872 20 0 GFADRO Brc1ccc(-c2c[nH]c(CNC[C@H]3C[N@@H+]4CCC[C@H]4CO3)n2)cc1 ZINC000363001517 563712181 /nfs/dbraw/zinc/71/21/81/563712181.db2.gz UBVNJRWWTMAKHT-HOTGVXAUSA-N 1 0 391.313 2.792 20 0 GFADRO C[C@@H]1C[C@H](C(=O)Nc2cc(Br)ccc2N2CC[NH+](C)CC2)CO1 ZINC000438948425 563714144 /nfs/dbraw/zinc/71/41/44/563714144.db2.gz BSUZLIIPZLJMNO-OLZOCXBDSA-N 1 0 382.302 2.564 20 0 GFADRO COc1ccc(Br)c(CNC(=O)[C@@H]([NH2+]C2CCOCC2)C(C)C)c1 ZINC000439032772 563715938 /nfs/dbraw/zinc/71/59/38/563715938.db2.gz HSIWZUUQFOHKGZ-KRWDZBQOSA-N 1 0 399.329 2.867 20 0 GFADRO O[C@H](COc1ccc(Br)cc1)C[N@@H+]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000439140263 563718250 /nfs/dbraw/zinc/71/82/50/563718250.db2.gz HOCHWTWPEJYWHR-INMHGKMJSA-N 1 0 384.314 2.937 20 0 GFADRO O=C(Nc1cc(I)ccc1Cl)N[C@H]1CCC[NH2+]C1 ZINC000415271948 563764588 /nfs/dbraw/zinc/76/45/88/563764588.db2.gz SNOURSUMKOLNDG-VIFPVBQESA-N 1 0 379.629 2.818 20 0 GFADRO Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)N1CC[C@@H]([NH+]2CCCC2)[C@H]1C ZINC000290772307 563720503 /nfs/dbraw/zinc/72/05/03/563720503.db2.gz CEKPEZDJTWDSJM-ZYHUDNBSSA-N 1 0 378.826 2.949 20 0 GFADRO C[NH+]1CCN(C[C@H](O)COc2c(Cl)cc(Br)cc2Cl)CC1 ZINC000414154740 563721084 /nfs/dbraw/zinc/72/10/84/563721084.db2.gz UEYHYEKKLZYJBJ-NSHDSACASA-N 1 0 398.128 2.743 20 0 GFADRO C[NH+]1CCN(C[C@@H](O)COc2ccc3cc(Br)ccc3c2)CC1 ZINC000414168179 563721796 /nfs/dbraw/zinc/72/17/96/563721796.db2.gz ULRRSRHRYCJQLM-QGZVFWFLSA-N 1 0 379.298 2.589 20 0 GFADRO C[C@H]([NH2+]CC1(N2CCOCC2)CCOCC1)c1nc(C(F)(F)F)cs1 ZINC000414195502 563722032 /nfs/dbraw/zinc/72/20/32/563722032.db2.gz WRAKLJQTRJAUCZ-LBPRGKRZSA-N 1 0 379.448 2.694 20 0 GFADRO Cc1nc(-c2cccs2)sc1C(=O)N1CCCN(CC[NH+](C)C)CC1 ZINC000363474154 563723339 /nfs/dbraw/zinc/72/33/39/563723339.db2.gz HIUDHCWPLVKCMN-UHFFFAOYSA-N 1 0 378.567 2.890 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)NCc2nc3cc(Br)cnc3[nH]2)C1 ZINC000290838449 563723403 /nfs/dbraw/zinc/72/34/03/563723403.db2.gz NLSROKRLLWAMKJ-INIZCTEOSA-N 1 0 398.280 2.549 20 0 GFADRO CCN(CC)c1ccc(C[NH2+]Cc2ccc(S(N)(=O)=O)c(Cl)c2)cn1 ZINC000414286148 563724712 /nfs/dbraw/zinc/72/47/12/563724712.db2.gz IVQCLHINKBFANZ-UHFFFAOYSA-N 1 0 382.917 2.518 20 0 GFADRO C[N@H+](C[C@H](O)COc1cc(F)cc(Br)c1)[C@H](CO)C(C)(C)C ZINC000439444223 563725627 /nfs/dbraw/zinc/72/56/27/563725627.db2.gz BCOHRCSTXXZGLM-DZGCQCFKSA-N 1 0 378.282 2.667 20 0 GFADRO CCS(=O)(=O)CCC[NH2+][C@@H](C)c1ccccc1I ZINC000414332130 563726926 /nfs/dbraw/zinc/72/69/26/563726926.db2.gz DQVVUTSZWJMUCK-NSHDSACASA-N 1 0 381.279 2.767 20 0 GFADRO CS(=O)(=O)c1ccc(C[NH2+]CCCC(=O)N2Cc3ccccc3C2)s1 ZINC000414352666 563728356 /nfs/dbraw/zinc/72/83/56/563728356.db2.gz QAPMLWUQZMEGRQ-UHFFFAOYSA-N 1 0 378.519 2.564 20 0 GFADRO CN1CC[NH+](C[C@@H]2CCCN(C(=O)CSc3ccccc3Cl)C2)CC1 ZINC000363652797 563728947 /nfs/dbraw/zinc/72/89/47/563728947.db2.gz UYITTZICBLXTOB-INIZCTEOSA-N 1 0 381.973 2.918 20 0 GFADRO CN1CC[C@H]([NH2+]Cc2ccc(S(C)(=O)=O)s2)[C@H]1c1ccc(F)c(F)c1 ZINC000414369150 563729836 /nfs/dbraw/zinc/72/98/36/563729836.db2.gz TYOVQHLCASJRNX-DOTOQJQBSA-N 1 0 386.489 2.965 20 0 GFADRO C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@@H]1NC(=O)Nc1ccc(Br)nc1 ZINC000363759727 563732134 /nfs/dbraw/zinc/73/21/34/563732134.db2.gz XALAYWVPGIUSQJ-YUELXQCFSA-N 1 0 397.317 2.855 20 0 GFADRO Cc1ccc(CC[NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)cc1 ZINC000414397246 563733614 /nfs/dbraw/zinc/73/36/14/563733614.db2.gz TYPYPEXVOIMQGR-UHFFFAOYSA-N 1 0 383.311 2.737 20 0 GFADRO CN(C)C(=O)Sc1ccc(C[NH+]2CCC3(CC2)SCC(=O)N3C)cc1 ZINC000363799289 563733927 /nfs/dbraw/zinc/73/39/27/563733927.db2.gz QGKKBYSQTVQCPD-UHFFFAOYSA-N 1 0 379.551 2.958 20 0 GFADRO O=C([C@@H]1C[N@@H+]2CCN1CCC2)N1CCC(c2ccccc2Br)CC1 ZINC000440081900 563736033 /nfs/dbraw/zinc/73/60/33/563736033.db2.gz XUNWDDWRMAYJEN-SFHVURJKSA-N 1 0 392.341 2.545 20 0 GFADRO COCCOCC[NH2+]C1CCN(C(=O)c2ccc(Br)cc2C)CC1 ZINC000363930299 563737051 /nfs/dbraw/zinc/73/70/51/563737051.db2.gz QZZBHWFCCSIRTR-UHFFFAOYSA-N 1 0 399.329 2.615 20 0 GFADRO CS(=O)(=O)c1ccc(C[NH2+]C[C@H](CO)Cc2cc(F)c(F)c(F)c2)s1 ZINC000414439893 563737452 /nfs/dbraw/zinc/73/74/52/563737452.db2.gz UBSSEHKDFADESE-LLVKDONJSA-N 1 0 393.452 2.510 20 0 GFADRO C[NH+](C)C1CCN(C(=O)Nc2ccnn2-c2ccc(Br)cn2)CC1 ZINC000363968793 563738435 /nfs/dbraw/zinc/73/84/35/563738435.db2.gz IHFLCXLPGODAOV-UHFFFAOYSA-N 1 0 393.289 2.588 20 0 GFADRO C[C@@H]1CN(C(=O)C[NH2+]C(C)(C)Cc2ccc(Br)cc2)C[C@H](C)O1 ZINC000440330254 563739438 /nfs/dbraw/zinc/73/94/38/563739438.db2.gz XSZAVCOBWIXMFK-OKILXGFUSA-N 1 0 383.330 2.996 20 0 GFADRO O=S(=O)(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cc(Br)sc1Cl ZINC000440342988 563739451 /nfs/dbraw/zinc/73/94/51/563739451.db2.gz ONQYAXNLVFIDTI-DHBOJHSNSA-N 1 0 385.736 2.725 20 0 GFADRO Cc1c(S(=O)(=O)N2CCC([C@H](C)[NH3+])CC2)cnn1-c1ccc(Cl)cc1 ZINC000440353327 563740057 /nfs/dbraw/zinc/74/00/57/563740057.db2.gz IPZLCKWKLTXVIT-LBPRGKRZSA-N 1 0 382.917 2.582 20 0 GFADRO [NH3+]C[C@H]1CCCC[C@@H]1NS(=O)(=O)c1cc(Br)sc1Cl ZINC000440405216 563741309 /nfs/dbraw/zinc/74/13/09/563741309.db2.gz ITZNLJHQHFEXJC-SFYZADRCSA-N 1 0 387.752 2.960 20 0 GFADRO CCC([NH3+])(CC)CNS(=O)(=O)c1cc(Br)sc1Cl ZINC000440417728 563741581 /nfs/dbraw/zinc/74/15/81/563741581.db2.gz DXHDUNDEBZBKIL-UHFFFAOYSA-N 1 0 375.741 2.960 20 0 GFADRO C[NH+](C)[C@H]1CCC[C@@H]1NS(=O)(=O)c1cc(Br)cc2cccnc21 ZINC000414464435 563741807 /nfs/dbraw/zinc/74/18/07/563741807.db2.gz NCAUHAYNXKBZGT-KBPBESRZSA-N 1 0 398.326 2.758 20 0 GFADRO Cc1c(S(=O)(=O)N2CCC[C@@H](C)[C@@H]2C[NH3+])cnn1-c1ccc(Cl)cc1 ZINC000440441753 563742118 /nfs/dbraw/zinc/74/21/18/563742118.db2.gz OMIPLFUIKJMNON-WBMJQRKESA-N 1 0 382.917 2.582 20 0 GFADRO CS(=O)(=O)c1cc(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c(Cl)cc1Cl ZINC000364079343 563742260 /nfs/dbraw/zinc/74/22/60/563742260.db2.gz SWLFSMMUFBJOAS-MNOVXSKESA-N 1 0 391.320 2.754 20 0 GFADRO C[C@H](C(=O)NCCN1CC[N@H+](C)C(C)(C)C1)c1cccc(Br)c1 ZINC000291450384 563743727 /nfs/dbraw/zinc/74/37/27/563743727.db2.gz LCUNICACEJLYMY-AWEZNQCLSA-N 1 0 382.346 2.695 20 0 GFADRO CCS(=O)(=O)CCC[NH2+]Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000414539436 563745845 /nfs/dbraw/zinc/74/58/45/563745845.db2.gz DOIDXYKARNOEDF-UHFFFAOYSA-N 1 0 386.315 2.549 20 0 GFADRO COc1ccc(CNC(=O)[C@]2([NH3+])[C@@H]3CCCO[C@@H]3C2(C)C)cc1Br ZINC000364219686 563746640 /nfs/dbraw/zinc/74/66/40/563746640.db2.gz WRODTOVPXXJJHQ-HNJNHCNJSA-N 1 0 397.313 2.606 20 0 GFADRO C[NH+]1CCC(CC(=O)NCc2cc(Br)c3c(c2)OCCO3)CC1 ZINC000291587326 563748852 /nfs/dbraw/zinc/74/88/52/563748852.db2.gz VPMYDKSSOCLHIX-UHFFFAOYSA-N 1 0 383.286 2.568 20 0 GFADRO O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)Nc1ccc(Cl)c(Cl)c1 ZINC000414661787 563749138 /nfs/dbraw/zinc/74/91/38/563749138.db2.gz QDTFFNMCFIOASI-LBPRGKRZSA-N 1 0 385.217 2.951 20 0 GFADRO CSc1ccc(S(=O)(=O)NCCC[NH2+]Cc2cccnc2)cc1Cl ZINC000440760653 563749660 /nfs/dbraw/zinc/74/96/60/563749660.db2.gz OJQCZEIJJYGAIS-UHFFFAOYSA-N 1 0 385.942 2.915 20 0 GFADRO C[C@H]1CN(S(=O)(=O)c2cc(Cl)c(Br)cc2F)CC[C@H]1[NH3+] ZINC000440758816 563749803 /nfs/dbraw/zinc/74/98/03/563749803.db2.gz WHHBLVPMHWGMJG-WRWORJQWSA-N 1 0 385.686 2.599 20 0 GFADRO Cc1c(S(=O)(=O)N2CCC[C@@H](CC[NH3+])C2)cnn1-c1ccc(Cl)cc1 ZINC000440803185 563750053 /nfs/dbraw/zinc/75/00/53/563750053.db2.gz LWVSWDLQCRTDRX-AWEZNQCLSA-N 1 0 382.917 2.584 20 0 GFADRO COc1cc(Cl)c(S(=O)(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)cc1Cl ZINC000291612004 563750290 /nfs/dbraw/zinc/75/02/90/563750290.db2.gz BGILYRBWGUYXFV-HNNXBMFYSA-N 1 0 379.309 2.718 20 0 GFADRO C[C@H]1CCN(C(=O)Nc2nnc(SCc3ccccc3)s2)C[C@H]1C[NH3+] ZINC000414714830 563750908 /nfs/dbraw/zinc/75/09/08/563750908.db2.gz VXMPVITYWRWZGC-GXTWGEPZSA-N 1 0 377.539 3.279 20 0 GFADRO O=S(=O)(Cc1ccc(Br)cc1)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000440836065 563751060 /nfs/dbraw/zinc/75/10/60/563751060.db2.gz SPFHVJDHCWSFPR-MRXNPFEDSA-N 1 0 387.343 2.743 20 0 GFADRO CC(C)(C)[NH2+]CCN1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC000414733695 563751411 /nfs/dbraw/zinc/75/14/11/563751411.db2.gz KBJZOVJAQGUXIU-UHFFFAOYSA-N 1 0 394.368 2.688 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)Nc2ncc(Cc3ccccc3Cl)s2)CCCO1 ZINC000414742126 563751999 /nfs/dbraw/zinc/75/19/99/563751999.db2.gz SISIRXJNEFUZKZ-CYBMUJFWSA-N 1 0 380.901 2.969 20 0 GFADRO COC(=O)[C@H](c1cccc(Br)c1)N(C)C(=O)CC1CC[NH+](C)CC1 ZINC000291666449 563753149 /nfs/dbraw/zinc/75/31/49/563753149.db2.gz LJCBGHKKWZFWAZ-KRWDZBQOSA-N 1 0 397.313 2.854 20 0 GFADRO CN(Cc1ccc(Br)cc1)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000440976057 563754122 /nfs/dbraw/zinc/75/41/22/563754122.db2.gz BERAOKWMGWEBNG-UHFFFAOYSA-N 1 0 397.361 2.617 20 0 GFADRO C[NH+]1CCC(CC(=O)N2CCN(c3cccc(Br)c3)CC2)CC1 ZINC000291696283 563754265 /nfs/dbraw/zinc/75/42/65/563754265.db2.gz TWYJNZGARZBXAA-UHFFFAOYSA-N 1 0 380.330 2.830 20 0 GFADRO [NH3+][C@H]1CCC[C@H](NC(=O)Nc2cc(Br)ccc2N2CCOCC2)C1 ZINC000414928831 563754707 /nfs/dbraw/zinc/75/47/07/563754707.db2.gz NMQIXVLPWFUYPO-KBPBESRZSA-N 1 0 397.317 2.677 20 0 GFADRO COc1cc(CN[C@@H]2CCC[NH2+][C@@H]2C)cc(I)c1OC ZINC000414950457 563755266 /nfs/dbraw/zinc/75/52/66/563755266.db2.gz HWOZMJFBSSXTGG-ZWNOBZJWSA-N 1 0 390.265 2.539 20 0 GFADRO COC[C@@]1(CNCc2cn(-c3ccc(Br)cc3)nc2C)CCC[NH2+]1 ZINC000414949146 563755513 /nfs/dbraw/zinc/75/55/13/563755513.db2.gz YWZIQFCDCUDIEZ-SFHVURJKSA-N 1 0 393.329 2.801 20 0 GFADRO COc1cc(Br)c(NC(=O)NCC[C@H]2CCC[NH2+]C2)cc1OC ZINC000414986420 563756406 /nfs/dbraw/zinc/75/64/06/563756406.db2.gz CILCORBQFRJJDW-LLVKDONJSA-N 1 0 386.290 2.978 20 0 GFADRO CN(C)c1ccc(CNS(=O)(=O)CCc2ccccc2Br)cn1 ZINC000291766303 563756969 /nfs/dbraw/zinc/75/69/69/563756969.db2.gz VFEFJFGQHYAMJO-UHFFFAOYSA-N 1 0 398.326 2.572 20 0 GFADRO COc1ccc(C[NH2+]CCNS(=O)(=O)c2ccc(F)cc2F)c(Cl)c1 ZINC000441352424 563758202 /nfs/dbraw/zinc/75/82/02/563758202.db2.gz XRJWWJBDBINWIB-UHFFFAOYSA-N 1 0 390.839 2.695 20 0 GFADRO C[C@@H]1CCNC(=O)[C@@H]1[NH2+]Cc1ccc(I)c(Cl)c1 ZINC000441338720 563758276 /nfs/dbraw/zinc/75/82/76/563758276.db2.gz UHBLKOSVQXSQEH-PRHODGIISA-N 1 0 378.641 2.559 20 0 GFADRO [NH3+][C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1(c2ccc(Br)cc2)CCOCC1 ZINC000364606166 563758378 /nfs/dbraw/zinc/75/83/78/563758378.db2.gz XLNROMSOGUTZSR-OSYLJGHBSA-N 1 0 393.325 2.978 20 0 GFADRO COc1ccc(I)c(NC(=O)N[C@](C)(C[NH3+])C(C)C)c1 ZINC000415074324 563758935 /nfs/dbraw/zinc/75/89/35/563758935.db2.gz PAFIRTWTDSZRCD-CQSZACIVSA-N 1 0 391.253 2.795 20 0 GFADRO C[C@@H](COc1ccc2cc(Br)ccc2c1)[NH2+]C[C@H]1CNCCO1 ZINC000415096457 563758894 /nfs/dbraw/zinc/75/88/94/563758894.db2.gz PZRJZINILSZJGP-SCLBCKFNSA-N 1 0 379.298 2.948 20 0 GFADRO CC1(C)[NH2+]CC[C@@H]1NC(=O)Nc1cc(F)c(I)c(F)c1 ZINC000415115287 563759779 /nfs/dbraw/zinc/75/97/79/563759779.db2.gz GWVFNJBKCBRHAV-JTQLQIEISA-N 1 0 395.191 2.831 20 0 GFADRO C[N@@H+]1CC[C@@]2(CCN([C@H]3CC(=O)N(c4cccc(Cl)c4Cl)C3=O)C2)C1 ZINC000291854679 563761500 /nfs/dbraw/zinc/76/15/00/563761500.db2.gz IEAADDSAOJJCFG-KBXCAEBGSA-N 1 0 382.291 2.653 20 0 GFADRO [NH3+][C@@H]1CCCN(C(=O)Nc2ccc(CCn3cc(Br)cn3)cc2)C1 ZINC000415206623 563762386 /nfs/dbraw/zinc/76/23/86/563762386.db2.gz DIEDUMUAKLTJCB-OAHLLOKOSA-N 1 0 392.301 2.843 20 0 GFADRO O=C(Nc1ccc(F)cc1I)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000415255707 563764075 /nfs/dbraw/zinc/76/40/75/563764075.db2.gz VSPSNYNHVSZJDS-NXEZZACHSA-N 1 0 389.212 2.504 20 0 GFADRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)Nc1ccc(Cl)cc1I ZINC000415287760 563765374 /nfs/dbraw/zinc/76/53/74/563765374.db2.gz YEYOOHPNOZAQTF-XVKPBYJWSA-N 1 0 379.629 2.898 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)C(=O)N(C)CC[N@H+](C)C1CC1 ZINC000441904312 563765514 /nfs/dbraw/zinc/76/55/14/563765514.db2.gz GHNYWAPOWWHFJG-UHFFFAOYSA-N 1 0 382.302 2.503 20 0 GFADRO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000415284535 563765565 /nfs/dbraw/zinc/76/55/65/563765565.db2.gz PWDGCTCIEVPPFZ-JTQLQIEISA-N 1 0 377.794 2.755 20 0 GFADRO CC(C)([NH3+])CNC(=O)Nc1cccc(Oc2ncc(Br)cn2)c1 ZINC000415302083 563765937 /nfs/dbraw/zinc/76/59/37/563765937.db2.gz MVFVRADCKCMGDF-UHFFFAOYSA-N 1 0 380.246 2.890 20 0 GFADRO COc1cc(NC(=O)C(=O)NCC2([NH3+])CCCCCC2)ccc1Br ZINC000415315728 563766692 /nfs/dbraw/zinc/76/66/92/563766692.db2.gz LUTZEMQAZJHVRC-UHFFFAOYSA-N 1 0 398.301 2.564 20 0 GFADRO CC[C@H]([NH3+])CNC(=O)Nc1cccc(Oc2ncc(Br)cn2)c1 ZINC000415306035 563766694 /nfs/dbraw/zinc/76/66/94/563766694.db2.gz TUMIIHYJEMJIQG-NSHDSACASA-N 1 0 380.246 2.890 20 0 GFADRO Cc1cc(Cl)cc(NC(=O)C(=O)N2CCC(C[NH3+])CC2)c1Br ZINC000415312122 563766868 /nfs/dbraw/zinc/76/68/68/563766868.db2.gz SNFKJAXCGVMXRE-UHFFFAOYSA-N 1 0 388.693 2.547 20 0 GFADRO CC[C@@H](NC(=O)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O)c1nc(C(F)(F)F)cs1 ZINC000364884501 563767237 /nfs/dbraw/zinc/76/72/37/563767237.db2.gz XNFTZZIJJZOUEN-HUAZRZQGSA-N 1 0 375.416 2.544 20 0 GFADRO CC(=O)Nc1nc(CN[C@H]2CC[N@@H+](Cc3cnc(C)s3)C[C@H]2C)cs1 ZINC000364900813 563767945 /nfs/dbraw/zinc/76/79/45/563767945.db2.gz ZOWVFKVIKNJVTM-BZNIZROVSA-N 1 0 379.555 2.867 20 0 GFADRO CCOC(=O)c1cc(Br)ccc1NC(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000415348514 563768954 /nfs/dbraw/zinc/76/89/54/563768954.db2.gz KWPNYDYFZTZIMM-FZMZJTMJSA-N 1 0 396.285 2.842 20 0 GFADRO NS(=O)(=O)C1CC[NH+](Cc2ccc(-c3cccc(Br)c3)o2)CC1 ZINC000364911895 563768920 /nfs/dbraw/zinc/76/89/20/563768920.db2.gz VGCHQGQSRVFYRI-UHFFFAOYSA-N 1 0 399.310 2.962 20 0 GFADRO NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1CCC(=O)Nc1ccc(Br)cc1F ZINC000364951569 563769213 /nfs/dbraw/zinc/76/92/13/563769213.db2.gz HKGWMSNMMHURBR-SIVJFFJCSA-N 1 0 398.276 2.503 20 0 GFADRO CC(C)Oc1cc(Br)cc(C(=O)N2CCC[N@@H+]([C@@H](C)CO)CC2)c1 ZINC000364937545 563769321 /nfs/dbraw/zinc/76/93/21/563769321.db2.gz UUESAXBIJKBKIS-AWEZNQCLSA-N 1 0 399.329 2.765 20 0 GFADRO CCOC(=O)c1cc(Br)ccc1NC(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000415351368 563769248 /nfs/dbraw/zinc/76/92/48/563769248.db2.gz NXQHPJLTMFKZLT-JQWIXIFHSA-N 1 0 384.274 2.875 20 0 GFADRO CC(C)[C@](C)(C[NH3+])NC(=O)Nc1cccc(F)c1I ZINC000415353813 563769415 /nfs/dbraw/zinc/76/94/15/563769415.db2.gz DHFHJMYFMUAOKA-ZDUSSCGKSA-N 1 0 379.217 2.925 20 0 GFADRO Cc1cnc(Br)c(NC(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)c1 ZINC000292015725 563769731 /nfs/dbraw/zinc/76/97/31/563769731.db2.gz JDBVNAPUFFWYAM-CYBMUJFWSA-N 1 0 385.306 2.775 20 0 GFADRO C[C@H](CO)[N@@H+]1CCCN(C(=O)c2cccc(Br)c2Cl)CC1 ZINC000364938315 563769749 /nfs/dbraw/zinc/76/97/49/563769749.db2.gz UTDWUMGSWTXKGE-LLVKDONJSA-N 1 0 375.694 2.631 20 0 GFADRO CN(C(=O)Nc1cnn(-c2ccccc2Br)c1)C1CC[NH2+]CC1 ZINC000415358841 563769843 /nfs/dbraw/zinc/76/98/43/563769843.db2.gz USHJGETZJKHSBK-UHFFFAOYSA-N 1 0 378.274 2.851 20 0 GFADRO O=C(NCC[C@H]1CCC[NH2+]1)Nc1cccc(F)c1I ZINC000415358232 563769851 /nfs/dbraw/zinc/76/98/51/563769851.db2.gz JMBWHXKGCMTWKA-SECBINFHSA-N 1 0 377.201 2.694 20 0 GFADRO Cc1nc2cc(Cl)c(NC(=O)C(=O)N[C@@H](C)[C@H]3CCC[NH2+]C3)cc2s1 ZINC000415363791 563770679 /nfs/dbraw/zinc/77/06/79/563770679.db2.gz XFCLUEVDSFEKAL-ONGXEEELSA-N 1 0 380.901 2.701 20 0 GFADRO O=C(NC[C@H]1C[NH2+]CCO1)Nc1ccc(C(F)(F)F)cc1Br ZINC000415360624 563770804 /nfs/dbraw/zinc/77/08/04/563770804.db2.gz STHKBXCQQOEWGZ-SECBINFHSA-N 1 0 382.180 2.578 20 0 GFADRO C[NH2+][C@@H]1CCCN(C(=O)C(=O)Nc2ccc(Br)c3ccccc23)C1 ZINC000415369036 563771458 /nfs/dbraw/zinc/77/14/58/563771458.db2.gz BKBJKHNZTCGTBZ-GFCCVEGCSA-N 1 0 390.281 2.751 20 0 GFADRO O=C(NCC[C@@H]1CC[NH2+]C1)C(=O)Nc1cccnc1-c1ccc(Cl)s1 ZINC000415393467 563772481 /nfs/dbraw/zinc/77/24/81/563772481.db2.gz LFNAYYYDOWPGMR-NSHDSACASA-N 1 0 378.885 2.518 20 0 GFADRO C[NH2+][C@H]1CCN(C(=O)Nc2c(F)cc(C)cc2I)C1 ZINC000415403111 563773032 /nfs/dbraw/zinc/77/30/32/563773032.db2.gz LBIOTGJYLPHLKG-VIFPVBQESA-N 1 0 377.201 2.564 20 0 GFADRO O=C(CC[C@H]1CCC[NH2+]1)NCCc1ccc(I)s1 ZINC000292087045 563773375 /nfs/dbraw/zinc/77/33/75/563773375.db2.gz MTNNIMBYDHMJKF-SNVBAGLBSA-N 1 0 378.279 2.544 20 0 GFADRO COCCOc1ccc(Br)cc1NC(=O)N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000415424419 563774198 /nfs/dbraw/zinc/77/41/98/563774198.db2.gz ITVZJQWDTHXSFA-YPMHNXCESA-N 1 0 386.290 2.675 20 0 GFADRO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)Nc1cccnc1-c1ccc(Cl)s1 ZINC000415419926 563774322 /nfs/dbraw/zinc/77/43/22/563774322.db2.gz ACRZCWOVXXRBOS-NSHDSACASA-N 1 0 380.901 2.892 20 0 GFADRO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)Nc1cc(Cl)ccc1Br ZINC000415427661 563774830 /nfs/dbraw/zinc/77/48/30/563774830.db2.gz NKQOVDYJNRUUIV-SNVBAGLBSA-N 1 0 376.682 2.531 20 0 GFADRO C[C@H]([NH2+][C@H](CO)c1ccc(Br)cc1)C(=O)NCCc1cccs1 ZINC000292128754 563775165 /nfs/dbraw/zinc/77/51/65/563775165.db2.gz IMXIMJOUNMVCET-BLLLJJGKSA-N 1 0 397.338 2.881 20 0 GFADRO [NH3+]CC[C@@H]1CCCN(C(=O)[C@H]2CC(=O)N(c3cc(Cl)cc(Cl)c3)C2)C1 ZINC000442598044 563775172 /nfs/dbraw/zinc/77/51/72/563775172.db2.gz LDMBECWUGGRXIR-STQMWFEESA-N 1 0 384.307 2.934 20 0 GFADRO COCCOc1ccc(Br)cc1NC(=O)NC1(C)CC[NH2+]CC1 ZINC000415434533 563775520 /nfs/dbraw/zinc/77/55/20/563775520.db2.gz YKDMJNHZASYUIL-UHFFFAOYSA-N 1 0 386.290 2.738 20 0 GFADRO [NH3+]C[C@@H](NC(=O)C(=O)Nc1ccc(F)c(Br)c1)C1CCCCC1 ZINC000415432424 563775672 /nfs/dbraw/zinc/77/56/72/563775672.db2.gz WBEXPDSTPLZWBL-CQSZACIVSA-N 1 0 386.265 2.551 20 0 GFADRO Cc1cc(CC(C)(C)[NH2+]Cc2nnc3n2CCOC3)ccc1Br ZINC000292141525 563776143 /nfs/dbraw/zinc/77/61/43/563776143.db2.gz MNBHOYQHCOSQIR-UHFFFAOYSA-N 1 0 379.302 2.990 20 0 GFADRO Cc1cc(Br)cc(NC(=O)C(=O)N2CCC([NH2+]CC3CC3)CC2)c1 ZINC000415444368 563776522 /nfs/dbraw/zinc/77/65/22/563776522.db2.gz FLPXQKWWYUFIGU-UHFFFAOYSA-N 1 0 394.313 2.687 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)C1 ZINC000415458278 563777124 /nfs/dbraw/zinc/77/71/24/563777124.db2.gz YHYNMYLLPASTAU-ZJUUUORDSA-N 1 0 377.794 2.883 20 0 GFADRO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)Nc1ccc(Br)c2ccccc12 ZINC000415466259 563777753 /nfs/dbraw/zinc/77/77/53/563777753.db2.gz TYJVDXONEYFXPK-AWEZNQCLSA-N 1 0 378.270 2.640 20 0 GFADRO COC(=O)c1cc(Br)c(F)cc1NC(=O)N1CCCC[C@@H]1C[NH3+] ZINC000415471761 563777757 /nfs/dbraw/zinc/77/77/57/563777757.db2.gz RPXNSVUMHRBGRJ-SECBINFHSA-N 1 0 388.237 2.720 20 0 GFADRO CN1CC[NH2+]C[C@@H]1CNC(=O)Nc1ccc(Br)c(Cl)c1Cl ZINC000415473893 563778286 /nfs/dbraw/zinc/77/82/86/563778286.db2.gz INSKIASOLNEMLB-MRVPVSSYSA-N 1 0 396.116 2.781 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)Nc2cc(Br)cnc2-n2cccn2)C1 ZINC000415489140 563778961 /nfs/dbraw/zinc/77/89/61/563778961.db2.gz UMEJLMZZJNTHJB-NEPJUHHUSA-N 1 0 393.289 2.621 20 0 GFADRO CCCC[C@@H](C[NH3+])NC(=O)C(=O)Nc1ccc(Cl)cc1OCC(F)F ZINC000415488927 563778985 /nfs/dbraw/zinc/77/89/85/563778985.db2.gz AHJSMSBDVVEIAL-NSHDSACASA-N 1 0 377.819 2.556 20 0 GFADRO C[C@H]1CCN(C(=O)Nc2cc(Br)cnc2-n2cccn2)[C@@H](C[NH3+])C1 ZINC000415494272 563778996 /nfs/dbraw/zinc/77/89/96/563778996.db2.gz ZBGWAOICHSFYBF-WCQYABFASA-N 1 0 393.289 2.621 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)Nc2nnc(-c3cccc(Br)c3)s2)CC[NH2+]1 ZINC000415500437 563779701 /nfs/dbraw/zinc/77/97/01/563779701.db2.gz MZJAKCNYRXQSMA-BXKDBHETSA-N 1 0 396.314 3.230 20 0 GFADRO Cc1ccc(I)cc1NC(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000415505694 563780427 /nfs/dbraw/zinc/78/04/27/563780427.db2.gz JNFFVVLAGWRQLN-RYUDHWBXSA-N 1 0 385.249 2.673 20 0 GFADRO C[NH2+][C@@H]1CCCN(C(=O)Nc2ccnn2Cc2cccc(Br)c2)C1 ZINC000415518543 563780724 /nfs/dbraw/zinc/78/07/24/563780724.db2.gz BFMLCLZKGMTOHK-OAHLLOKOSA-N 1 0 392.301 2.910 20 0 GFADRO CSc1ccc(Cl)cc1NC(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000415512960 563780872 /nfs/dbraw/zinc/78/08/72/563780872.db2.gz DARUSZQASCYMOS-AWEZNQCLSA-N 1 0 381.929 2.991 20 0 GFADRO C[C@H]1C[C@H](NC(=O)Nc2ccnn2Cc2ccc(Br)cc2)CC[NH2+]1 ZINC000415521947 563781474 /nfs/dbraw/zinc/78/14/74/563781474.db2.gz CZFSRPXYQVMRLK-SWLSCSKDSA-N 1 0 392.301 2.956 20 0 GFADRO COCC[NH+]1CCC(NC(=O)C2(Cc3ccccc3Br)CC2)CC1 ZINC000292284514 563781602 /nfs/dbraw/zinc/78/16/02/563781602.db2.gz OTBPRWVFCABUFF-UHFFFAOYSA-N 1 0 395.341 2.999 20 0 GFADRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)Nc1cccc(Cl)c1SCC(F)F ZINC000415523547 563781809 /nfs/dbraw/zinc/78/18/09/563781809.db2.gz NJSOBICQYXJLDF-UWVGGRQHSA-N 1 0 391.871 2.831 20 0 GFADRO CN(C(=O)Nc1ccnn1Cc1ccccc1Br)[C@@H](C[NH3+])C1CC1 ZINC000415525784 563781903 /nfs/dbraw/zinc/78/19/03/563781903.db2.gz XGCSESLEYZPXDU-HNNXBMFYSA-N 1 0 392.301 2.895 20 0 GFADRO CC1(C)[C@H]([NH2+]CCNS(=O)(=O)c2ccc(Cl)cc2F)[C@@H]2CCCO[C@H]21 ZINC000442863425 563782040 /nfs/dbraw/zinc/78/20/40/563782040.db2.gz QVKDVVHZOPJSFJ-APHBMKBZSA-N 1 0 390.908 2.551 20 0 GFADRO C[C@H]1CN(C(=O)Nc2ccnn2Cc2ccc(Br)cc2)CC[C@@H]1[NH3+] ZINC000415527509 563782630 /nfs/dbraw/zinc/78/26/30/563782630.db2.gz KVEIPCHUXUZXDQ-WFASDCNBSA-N 1 0 392.301 2.895 20 0 GFADRO C[C@H]1CC[N@H+](CCCOc2cccc(I)c2)[C@H]1CO ZINC000442889481 563782851 /nfs/dbraw/zinc/78/28/51/563782851.db2.gz DWHIVVLCKKSCFB-WFASDCNBSA-N 1 0 375.250 2.763 20 0 GFADRO O=C(Nc1ccc(F)c(Br)c1)C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000415529670 563783181 /nfs/dbraw/zinc/78/31/81/563783181.db2.gz XGNNKLPPIBBBRU-HNNXBMFYSA-N 1 0 398.276 2.517 20 0 GFADRO CC(C)CN(C1CC[NH+](C)CC1)S(=O)(=O)c1cnccc1C(F)(F)F ZINC000442904443 563783636 /nfs/dbraw/zinc/78/36/36/563783636.db2.gz RYMOWFYWLWMDLY-UHFFFAOYSA-N 1 0 379.448 2.841 20 0 GFADRO O=C(Nc1c(F)cccc1Br)C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000415545927 563784021 /nfs/dbraw/zinc/78/40/21/563784021.db2.gz XEIIEPOMVMDNSM-CQSZACIVSA-N 1 0 398.276 2.517 20 0 GFADRO COc1c(Cl)cc(NC(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc1Cl ZINC000415577521 563784970 /nfs/dbraw/zinc/78/49/70/563784970.db2.gz HHHDVBOJRNXLLF-NURSFMCSSA-N 1 0 386.279 2.526 20 0 GFADRO C[C@]1(CNC(=O)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CCC[NH2+]C1 ZINC000415570406 563784972 /nfs/dbraw/zinc/78/49/72/563784972.db2.gz LKNXFDOVOYCICE-HNNXBMFYSA-N 1 0 377.794 2.803 20 0 GFADRO C[C@H]1CN(C(=O)c2cncc(I)c2)CC[N@@H+](C2CCC2)C1 ZINC000292401459 563785017 /nfs/dbraw/zinc/78/50/17/563785017.db2.gz OISGXNBQZJAFSQ-GFCCVEGCSA-N 1 0 399.276 2.633 20 0 GFADRO Cn1ccnc1[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)nc2Cl)C1 ZINC000365535735 563786085 /nfs/dbraw/zinc/78/60/85/563786085.db2.gz QSRFBICMMKTROG-SNVBAGLBSA-N 1 0 375.281 2.690 20 0 GFADRO O=S(=O)(c1ccccc1Br)N1C[C@H]2[C@H](C1)C[N@@H+]1CCCC[C@@H]21 ZINC000365539211 563786207 /nfs/dbraw/zinc/78/62/07/563786207.db2.gz PDHKBFLEXRUCOL-YDHLFZDLSA-N 1 0 385.327 2.554 20 0 GFADRO COC(=O)c1cc(NC(=O)N2CC[C@](C)(C[NH3+])C2)cc(Br)c1F ZINC000415595078 563786363 /nfs/dbraw/zinc/78/63/63/563786363.db2.gz AIZRNDDXBKAOSR-OAHLLOKOSA-N 1 0 388.237 2.577 20 0 GFADRO COC(=O)c1c(C)c(NC(=O)N[C@H]2CC[C@@H](C[NH3+])C2)ccc1Br ZINC000415594412 563786428 /nfs/dbraw/zinc/78/64/28/563786428.db2.gz GIDDPIWDWRGTBQ-MNOVXSKESA-N 1 0 384.274 2.793 20 0 GFADRO COC(=O)c1c(C)c(NC(=O)N2CCCC[C@H]2C[NH3+])ccc1Br ZINC000415602652 563786739 /nfs/dbraw/zinc/78/67/39/563786739.db2.gz SFGYDLQIJWWKTO-NSHDSACASA-N 1 0 384.274 2.889 20 0 GFADRO COC(=O)c1cc(NC(=O)N[C@@](C)(C[NH3+])C2CC2)cc(Br)c1F ZINC000415605696 563787683 /nfs/dbraw/zinc/78/76/83/563787683.db2.gz HZNMWEJSBZLRTJ-HNNXBMFYSA-N 1 0 388.237 2.624 20 0 GFADRO CN1CCC([N@@H+]2CC[C@H](NC(=O)/C=C/c3cc(Br)cs3)C2)CC1 ZINC000365584924 563787810 /nfs/dbraw/zinc/78/78/10/563787810.db2.gz MTZBKNGFGTWXRA-HSWBROFVSA-N 1 0 398.370 2.809 20 0 GFADRO COC(=O)c1cccc(NC(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)c1Br ZINC000415613134 563788205 /nfs/dbraw/zinc/78/82/05/563788205.db2.gz MMRCDKWSJUJYFZ-TXEJJXNPSA-N 1 0 396.285 2.699 20 0 GFADRO CC[NH2+][C@H](C)CNC(=O)Nc1cc(Br)cc(C(=O)N2CCCC2)c1 ZINC000415629449 563788913 /nfs/dbraw/zinc/78/89/13/563788913.db2.gz BIHSFTJDRFPFAS-GFCCVEGCSA-N 1 0 397.317 2.805 20 0 GFADRO CC(C)(O)C[N@@H+]1CCCN(C(=O)c2cc(C(F)(F)F)cc(Cl)n2)CC1 ZINC000365627983 563788908 /nfs/dbraw/zinc/78/89/08/563788908.db2.gz UCSISIFOTIBEFZ-UHFFFAOYSA-N 1 0 379.810 2.673 20 0 GFADRO C[C@H](CCCC[NH3+])NC(=O)Nc1ccnn1-c1ccc(Br)cn1 ZINC000415634718 563789281 /nfs/dbraw/zinc/78/92/81/563789281.db2.gz IZUXZEXSWIEWRB-LLVKDONJSA-N 1 0 381.278 2.669 20 0 GFADRO CN(C[C@H](O)C[NH3+])C(=O)Nc1cccnc1Oc1ccc(Cl)cc1Cl ZINC000415634195 563789379 /nfs/dbraw/zinc/78/93/79/563789379.db2.gz RXJJIBXMJWGDHZ-LLVKDONJSA-N 1 0 385.251 2.964 20 0 GFADRO O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000415633758 563789534 /nfs/dbraw/zinc/78/95/34/563789534.db2.gz QZECTAQLSBYOPP-PHIMTYICSA-N 1 0 375.778 2.650 20 0 GFADRO CC(C)c1cc(Br)ccc1NC(=O)C(=O)N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000415651585 563790237 /nfs/dbraw/zinc/79/02/37/563790237.db2.gz COSLOSAQIABRMN-WCQYABFASA-N 1 0 382.302 2.768 20 0 GFADRO [NH3+]CC[C@H]1CCCN(C(=O)C(=O)Nc2cc(Cl)cc(Br)c2)C1 ZINC000415677790 563791311 /nfs/dbraw/zinc/79/13/11/563791311.db2.gz NHWGNVOYCALSCI-SNVBAGLBSA-N 1 0 388.693 2.628 20 0 GFADRO CNC(=O)c1cccc(NC(=O)N[C@H](C[NH3+])C2CCCCC2)c1Br ZINC000415704383 563791957 /nfs/dbraw/zinc/79/19/57/563791957.db2.gz HHSYMIVUZYHHIX-CQSZACIVSA-N 1 0 397.317 2.838 20 0 GFADRO CC(C)c1cc(Br)ccc1NC(=O)C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000415695963 563792109 /nfs/dbraw/zinc/79/21/09/563792109.db2.gz SZWHVQBTQQQKGZ-KRWDZBQOSA-N 1 0 382.302 2.708 20 0 GFADRO COC(=O)c1cc(NC(=O)NCCC[NH2+]C2CC2)c(C)cc1Br ZINC000415709342 563792472 /nfs/dbraw/zinc/79/24/72/563792472.db2.gz PEEJNBUSEKOLDT-UHFFFAOYSA-N 1 0 384.274 2.808 20 0 GFADRO COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000415724807 563793257 /nfs/dbraw/zinc/79/32/57/563793257.db2.gz NCCVDUWZFJDNER-QGZVFWFLSA-N 1 0 386.279 2.543 20 0 GFADRO CO[C@@H]1CCN(C(=O)Nc2cccc3cc(Br)cnc32)[C@H](C[NH3+])C1 ZINC000415735700 563793692 /nfs/dbraw/zinc/79/36/92/563793692.db2.gz ZLBDBGHEMHODLG-UONOGXRCSA-N 1 0 393.285 2.967 20 0 GFADRO CC(C)Sc1c(Cl)cccc1NC(=O)C(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000415748734 563793892 /nfs/dbraw/zinc/79/38/92/563793892.db2.gz PYVXZNICBFDQGC-STQMWFEESA-N 1 0 381.929 2.847 20 0 GFADRO [NH3+][C@H](CNC(=O)Nc1cc(Cl)ccc1I)C1CC1 ZINC000415756033 563794319 /nfs/dbraw/zinc/79/43/19/563794319.db2.gz KNZMWJXYAXHDKA-SNVBAGLBSA-N 1 0 379.629 2.803 20 0 GFADRO Cc1c(Br)cccc1NC(=O)C(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000415760530 563795092 /nfs/dbraw/zinc/79/50/92/563795092.db2.gz KDUKTQBFMANEQF-CQSZACIVSA-N 1 0 394.313 2.544 20 0 GFADRO [NH3+][C@@H]1CCCN(C(=O)Nc2cc(Cl)ccc2I)C1 ZINC000415760222 563795103 /nfs/dbraw/zinc/79/51/03/563795103.db2.gz RUZBFIBXUQWBRC-SECBINFHSA-N 1 0 379.629 2.900 20 0 GFADRO CC(C)c1cc(Br)ccc1NC(=O)C(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000415766744 563795608 /nfs/dbraw/zinc/79/56/08/563795608.db2.gz SRVCGFQYZMFTSE-QWHCGFSZSA-N 1 0 394.313 2.579 20 0 GFADRO CSc1ccc(NC(=O)C(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)cc1Cl ZINC000415770783 563795687 /nfs/dbraw/zinc/79/56/87/563795687.db2.gz YXZRHJBTKPRDNO-CYBMUJFWSA-N 1 0 381.929 2.849 20 0 GFADRO COc1cc(I)ccc1NC(=O)N[C@@](C)(C[NH3+])C1CC1 ZINC000415767577 563795801 /nfs/dbraw/zinc/79/58/01/563795801.db2.gz ASUUCVLTEFVDQL-AWEZNQCLSA-N 1 0 389.237 2.549 20 0 GFADRO C[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccc(Cl)s2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000365948818 563796162 /nfs/dbraw/zinc/79/61/62/563796162.db2.gz HQPFHTGVAQRUMN-ZJIFWQFVSA-N 1 0 381.973 2.989 20 0 GFADRO [NH3+][C@@H]1CCC[C@H](CNC(=O)C(=O)Nc2ccc(Br)c(Cl)c2)C1 ZINC000415798044 563796903 /nfs/dbraw/zinc/79/69/03/563796903.db2.gz AXVIYEUHCOUGCV-VHSXEESVSA-N 1 0 388.693 2.675 20 0 GFADRO COC[C@]1(CNC(=O)Nc2cc(Cl)cc(Br)c2)CCC[NH2+]1 ZINC000415799404 563797111 /nfs/dbraw/zinc/79/71/11/563797111.db2.gz CHCJWZBPDIMZJH-CQSZACIVSA-N 1 0 376.682 2.993 20 0 GFADRO O=C(Nc1cc(Cl)c(Cl)cc1F)C(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000415812948 563797711 /nfs/dbraw/zinc/79/77/11/563797711.db2.gz BHWUUJIYIANZQH-GHMZBOCLSA-N 1 0 388.270 2.919 20 0 GFADRO Cc1cc(NC(=O)C(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)cc(C)c1Br ZINC000415814160 563798384 /nfs/dbraw/zinc/79/83/84/563798384.db2.gz QZQZGQCEKLQCBM-QWHCGFSZSA-N 1 0 382.302 2.638 20 0 GFADRO [NH3+]C[C@H]1CC[C@@H](NC(=O)C(=O)Nc2cccnc2-c2ccc(Cl)s2)C1 ZINC000415828417 563799000 /nfs/dbraw/zinc/79/90/00/563799000.db2.gz FQMSRFREOWXKKS-WDEREUQCSA-N 1 0 378.885 2.646 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)C(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000415855704 563799518 /nfs/dbraw/zinc/79/95/18/563799518.db2.gz PDHQIJYNFAGZLY-KBPBESRZSA-N 1 0 394.313 2.544 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000415869594 563799801 /nfs/dbraw/zinc/79/98/01/563799801.db2.gz LBHCNOZWYRFBSA-KCQAQPDRSA-N 1 0 394.313 2.509 20 0 GFADRO O=C(/C=C/c1ccc(Br)s1)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000366199073 563801243 /nfs/dbraw/zinc/80/12/43/563801243.db2.gz GICDWQQWNWJVTG-CXLRFSCWSA-N 1 0 385.327 2.893 20 0 GFADRO C[C@@H]([NH2+]CC(=O)NC(=O)NCC(F)(F)F)c1ccc(Br)s1 ZINC000443326256 563801440 /nfs/dbraw/zinc/80/14/40/563801440.db2.gz JOOVXAXXRVCHPX-ZCFIWIBFSA-N 1 0 388.209 2.549 20 0 GFADRO CN(Cc1cc(Br)cs1)C(=O)C[NH2+][C@H](C1CC1)C(C)(C)CO ZINC000293121316 563801597 /nfs/dbraw/zinc/80/15/97/563801597.db2.gz RNNKXPWPMHHBHB-OAHLLOKOSA-N 1 0 389.359 2.856 20 0 GFADRO COc1ccc(Br)cc1CN(C)C(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000415999092 563801858 /nfs/dbraw/zinc/80/18/58/563801858.db2.gz VTAMSXLUUFSWMQ-GFCCVEGCSA-N 1 0 398.223 2.879 20 0 GFADRO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]C[C@@H]1CN2CCC[C@H]2CO1 ZINC000366220276 563802063 /nfs/dbraw/zinc/80/20/63/563802063.db2.gz UJTCHIRNSGUNLK-XOKHGSTOSA-N 1 0 396.329 2.619 20 0 GFADRO [NH3+]CC[C@H](NC(=O)N1CCc2c(Br)ccc(F)c2C1)C(F)(F)F ZINC000416024909 563802663 /nfs/dbraw/zinc/80/26/63/563802663.db2.gz GLXRPYWWNVMCNX-LBPRGKRZSA-N 1 0 398.198 2.936 20 0 GFADRO COc1cc(C=CC(=O)N[C@H]2CCc3[nH]cnc3C2)cc(Br)c1O ZINC000366289163 563803769 /nfs/dbraw/zinc/80/37/69/563803769.db2.gz QZEMROGQHURGCR-DGXRNCNBSA-N 1 0 392.253 2.573 20 0 GFADRO COC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2cccc3c2CN(C)C3)c1 ZINC000366281459 563804018 /nfs/dbraw/zinc/80/40/18/563804018.db2.gz NCNDCXWSXYCQAP-UHFFFAOYSA-N 1 0 380.853 2.873 20 0 GFADRO [NH3+]CC[C@@H](NC(=O)N[C@@H]1C[C@H]1c1ccc(Br)cc1)C(F)(F)F ZINC000416051558 563804537 /nfs/dbraw/zinc/80/45/37/563804537.db2.gz TWGPJWYZZKWNKT-QJPTWQEYSA-N 1 0 380.208 2.884 20 0 GFADRO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)N1CCOc2c(Br)cccc2C1 ZINC000366304586 563804749 /nfs/dbraw/zinc/80/47/49/563804749.db2.gz AKFHSNLJMAPIRI-CYBMUJFWSA-N 1 0 394.313 2.837 20 0 GFADRO CN(C(=O)CCS(=O)(=O)c1ccc(Cl)cc1)C(C)(C)C[NH+]1CCCC1 ZINC000416100936 563805061 /nfs/dbraw/zinc/80/50/61/563805061.db2.gz XDJGOVBRYXCYLR-UHFFFAOYSA-N 1 0 386.945 2.837 20 0 GFADRO COC(=O)c1cc(N2CC[N@H+](C)C[C@@H]2C)c2cc(Br)ccc2n1 ZINC000443438181 563805425 /nfs/dbraw/zinc/80/54/25/563805425.db2.gz DGEWLZOSXNDEIG-NSHDSACASA-N 1 0 378.270 2.924 20 0 GFADRO COc1cc(Br)ccc1C(=O)N1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000366437686 563808453 /nfs/dbraw/zinc/80/84/53/563808453.db2.gz LVPYVBOQBOGEBF-UKPHBRMFSA-N 1 0 397.313 2.781 20 0 GFADRO C[C@@H](NC(=O)Nc1ccn(CC[NH+](C)C)n1)c1ccc(Br)s1 ZINC000443591447 563808974 /nfs/dbraw/zinc/80/89/74/563808974.db2.gz JDNWFTDMODVEPR-SNVBAGLBSA-N 1 0 386.319 3.151 20 0 GFADRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1nn(C)cc1Br ZINC000293386908 563810866 /nfs/dbraw/zinc/81/08/66/563810866.db2.gz IWAROGCJCHGRON-OAHLLOKOSA-N 1 0 391.313 2.777 20 0 GFADRO O=C(c1ccc(Br)c(F)c1)N1CC[C@H](OCC[NH+]2CCCC2)C1 ZINC000443869079 563813358 /nfs/dbraw/zinc/81/33/58/563813358.db2.gz OSPRPHCQPQJJPM-AWEZNQCLSA-N 1 0 385.277 2.915 20 0 GFADRO Cc1ccc(-n2nc(Br)cc2C(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000293473197 563814205 /nfs/dbraw/zinc/81/42/05/563814205.db2.gz QSPYPXSSTLVEAY-DZGCQCFKSA-N 1 0 389.297 2.767 20 0 GFADRO OCC[C@@H]([NH2+]C[C@@H](O)COCC(F)(F)F)c1ccc(Cl)c(Cl)c1 ZINC000293471566 563814273 /nfs/dbraw/zinc/81/42/73/563814273.db2.gz XKBLFUNNWQJEQS-ZWNOBZJWSA-N 1 0 376.202 2.946 20 0 GFADRO C[NH+](C)CCn1cc(NC(=O)c2cccc(F)c2Br)ccc1=O ZINC000293507117 563815760 /nfs/dbraw/zinc/81/57/60/563815760.db2.gz MLWPSEUCAUQYPK-UHFFFAOYSA-N 1 0 382.233 2.564 20 0 GFADRO COc1cc(OC)c(S(=O)(=O)NC[C@@H](C)C[NH+]2CCCCC2)cc1Cl ZINC000416368362 563818299 /nfs/dbraw/zinc/81/82/99/563818299.db2.gz HEHSBVFXJYXKEU-CYBMUJFWSA-N 1 0 390.933 2.758 20 0 GFADRO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CCCc1cnn(C)n1 ZINC000293868222 563826812 /nfs/dbraw/zinc/82/68/12/563826812.db2.gz ZMHAVLIBLVDIRS-GFCCVEGCSA-N 1 0 380.290 2.517 20 0 GFADRO C[N@H+](C[C@H]1CCN(S(C)(=O)=O)C1)C1CCN(c2ccc(Cl)cc2)CC1 ZINC000366986221 563826890 /nfs/dbraw/zinc/82/68/90/563826890.db2.gz DOVFRPGOUCSLRF-OAHLLOKOSA-N 1 0 385.961 2.522 20 0 GFADRO COc1cc(OC)c(S(=O)(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)cc1Cl ZINC000416423800 563827311 /nfs/dbraw/zinc/82/73/11/563827311.db2.gz XKDAEKOIHAECCJ-NSHDSACASA-N 1 0 378.922 2.612 20 0 GFADRO C[N@@H+]1CCC[C@H]1C(=O)NC1(Cc2ccc(F)cc2Br)CCOCC1 ZINC000293953814 563828480 /nfs/dbraw/zinc/82/84/80/563828480.db2.gz QIALAKCGCJNMEE-INIZCTEOSA-N 1 0 399.304 2.890 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2cccc(Cl)c2C(=O)OC)C[C@@H]1C ZINC000416450957 563830063 /nfs/dbraw/zinc/83/00/63/563830063.db2.gz AOYSMRMZVWLUQG-QWHCGFSZSA-N 1 0 388.917 2.620 20 0 GFADRO C[C@@H]1CC(=O)NCCN1Cc1ccnc(-c2ccc(Br)cc2)n1 ZINC000367103672 563830838 /nfs/dbraw/zinc/83/08/38/563830838.db2.gz QITOOFAIYXFSJZ-GFCCVEGCSA-N 1 0 375.270 2.617 20 0 GFADRO C[C@@H]1CN(C(=O)COc2cc(Cl)cc(Cl)c2)CC[N@@H+]1CC(C)(C)O ZINC000444557573 563833092 /nfs/dbraw/zinc/83/30/92/563833092.db2.gz WZWIYRYAGOEPBQ-GFCCVEGCSA-N 1 0 375.296 2.676 20 0 GFADRO CN(C)S(=O)(=O)CCN1CCC[C@@H]1c1nc(-c2ccc(Cl)cc2)c[nH]1 ZINC000367155099 563834029 /nfs/dbraw/zinc/83/40/29/563834029.db2.gz AGZQNDQRHIEARI-MRXNPFEDSA-N 1 0 382.917 2.758 20 0 GFADRO CCN(CCC[NH+](CC)CC)S(=O)(=O)c1cccc(Cl)c1C(=O)OC ZINC000416474022 563834335 /nfs/dbraw/zinc/83/43/35/563834335.db2.gz XOAWKDUVCSWVCZ-UHFFFAOYSA-N 1 0 390.933 2.869 20 0 GFADRO CN1CC[NH+](C[C@H]2CCCN(C(=O)c3cc(Cl)c(N)c(Cl)c3)C2)CC1 ZINC000367195382 563835435 /nfs/dbraw/zinc/83/54/35/563835435.db2.gz IHFFSWSKKKCNCC-CYBMUJFWSA-N 1 0 385.339 2.675 20 0 GFADRO CCN1CC[C@H]([NH2+]C[C@H](C)CS(C)(=O)=O)[C@H]1c1ccc(Cl)c(F)c1 ZINC000367259215 563838653 /nfs/dbraw/zinc/83/86/53/563838653.db2.gz UXEJXUFWVKRUHK-AFAVFJNCSA-N 1 0 376.925 2.885 20 0 GFADRO Cc1ccc(Br)cc1S(=O)(=O)NCCCC[N@@H+](C)C1CC1 ZINC000416501362 563839991 /nfs/dbraw/zinc/83/99/91/563839991.db2.gz KYYZCCUQKKZJLV-UHFFFAOYSA-N 1 0 375.332 2.910 20 0 GFADRO CS(=O)(=O)N1CC[C@H](C[N@@H+]2CCC[C@@H](Sc3ccc(F)cc3F)C2)C1 ZINC000367297366 563840189 /nfs/dbraw/zinc/84/01/89/563840189.db2.gz AMRHOEYLVPMMDW-UKRRQHHQSA-N 1 0 390.521 2.803 20 0 GFADRO C[C@@H](CNC(=O)c1nc(Br)ccc1Br)C[NH+](C)C ZINC000294415109 563841811 /nfs/dbraw/zinc/84/18/11/563841811.db2.gz XQEVFLWVAROBQM-QMMMGPOBSA-N 1 0 379.096 2.534 20 0 GFADRO CSc1ccc([C@H](CNC(=O)C(=O)Nc2ncc(C)s2)[NH+](C)C)cc1 ZINC000294455368 563843261 /nfs/dbraw/zinc/84/32/61/563843261.db2.gz HBYOXFFCICNOEO-AWEZNQCLSA-N 1 0 378.523 2.531 20 0 GFADRO O=C(c1cc(=O)[nH]c2c(Br)cccc12)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000367403424 563843569 /nfs/dbraw/zinc/84/35/69/563843569.db2.gz XMMUUYGYQXUSPO-SFHVURJKSA-N 1 0 390.281 2.919 20 0 GFADRO COC(=O)c1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CNC(=O)C2)c(Br)c1 ZINC000367439088 563844913 /nfs/dbraw/zinc/84/49/13/563844913.db2.gz RJRDVONTASIXAJ-GOEBONIOSA-N 1 0 395.297 2.726 20 0 GFADRO CCS(=O)(=O)c1ccc([C@@H](C)[NH2+]C2CCC(CS(C)(=O)=O)CC2)cc1 ZINC000294512948 563845374 /nfs/dbraw/zinc/84/53/74/563845374.db2.gz YVBXFGDHUYICPQ-HPUBIQBYSA-N 1 0 387.567 2.734 20 0 GFADRO O=C1C[C@@H]([C@@H]2CCCC[N@H+]2Cc2cc(Br)c3c(c2)OCCO3)CN1 ZINC000367543156 563848068 /nfs/dbraw/zinc/84/80/68/563848068.db2.gz YHPUTXIJQXATKN-HIFRSBDPSA-N 1 0 395.297 2.711 20 0 GFADRO COc1cc(Br)c(C(=O)NC[C@H](C)C[NH+]2CCCC2)cc1OC ZINC000294616541 563848373 /nfs/dbraw/zinc/84/83/73/563848373.db2.gz XNXGAOVZIIFAJJ-LBPRGKRZSA-N 1 0 385.302 2.928 20 0 GFADRO CS(=O)(=O)CC1CCC([NH2+][C@@H](CO)c2cccc(Br)c2)CC1 ZINC000294622724 563848471 /nfs/dbraw/zinc/84/84/71/563848471.db2.gz FKUHTDHITAWQEJ-MOQPWLNLSA-N 1 0 390.343 2.676 20 0 GFADRO C[N@H+]1CC=C(CNC(=O)[C@@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)CC1 ZINC000367593295 563849786 /nfs/dbraw/zinc/84/97/86/563849786.db2.gz JCEASZUJUOIUJC-AWEZNQCLSA-N 1 0 382.291 2.724 20 0 GFADRO C[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2cccnc2Cl)[C@@H]1c1cccs1 ZINC000367621272 563850388 /nfs/dbraw/zinc/85/03/88/563850388.db2.gz ANOVLYQUXBICFN-BXUZGUMPSA-N 1 0 378.885 2.544 20 0 GFADRO C[C@@H](CNC(=O)NCC1([NH+](C)C)CCC1)Oc1cccc(Br)c1 ZINC000445857141 563855173 /nfs/dbraw/zinc/85/51/73/563855173.db2.gz KFEQSMDDHWRLRK-ZDUSSCGKSA-N 1 0 384.318 3.000 20 0 GFADRO CC(C)[C@@H](CC(F)(F)F)[NH2+]CC(=O)Nc1cc(S(C)(=O)=O)ccc1F ZINC000445903319 563855475 /nfs/dbraw/zinc/85/54/75/563855475.db2.gz KRHADDITTOFVAO-CYBMUJFWSA-N 1 0 384.395 2.734 20 0 GFADRO O=S(=O)(c1c(Cl)cc(F)cc1Br)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000367802745 563856012 /nfs/dbraw/zinc/85/60/12/563856012.db2.gz VEGZXWVBOGADDV-UFBFGSQYSA-N 1 0 397.697 2.614 20 0 GFADRO C[C@H](CNC(=O)[C@@H]1CC(=O)Nc2ccc(Br)cc21)C[NH+]1CCCC1 ZINC000446102393 563858694 /nfs/dbraw/zinc/85/86/94/563858694.db2.gz FQUAJKZDMYKQRO-IUODEOHRSA-N 1 0 394.313 2.723 20 0 GFADRO C[C@@H](NC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccccc1Cl ZINC000416827993 563861708 /nfs/dbraw/zinc/86/17/08/563861708.db2.gz LQEYKNKSLUIGLU-BXUZGUMPSA-N 1 0 378.826 2.536 20 0 GFADRO Cc1cc([C@H](C)[NH2+][C@H]2CCN(CCN3CCOCC3)C2)ccc1Br ZINC000368017596 563862157 /nfs/dbraw/zinc/86/21/57/563862157.db2.gz FPTMVLMUJHGFPA-WMZOPIPTSA-N 1 0 396.373 2.815 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)N1C[C@H](C)[N@H+](CCO)C[C@H]1C ZINC000416906888 563863021 /nfs/dbraw/zinc/86/30/21/563863021.db2.gz ARULHBDTSUNOPB-QWHCGFSZSA-N 1 0 384.318 2.930 20 0 GFADRO CC(C)[C@@H](C(=O)NCc1cnn(-c2ccc(Br)cc2)c1)[NH+](C)C ZINC000446373808 563863355 /nfs/dbraw/zinc/86/33/55/563863355.db2.gz ZCHKZNXCJUEQQZ-INIZCTEOSA-N 1 0 379.302 2.837 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCc2nc[nH]c2C1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000368103593 563863848 /nfs/dbraw/zinc/86/38/48/563863848.db2.gz XEQZJBOHQIDAIK-DTWKUNHWSA-N 1 0 389.308 2.572 20 0 GFADRO [NH3+][C@@H]1CCC[C@H](NC(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)C1 ZINC000446398597 563863928 /nfs/dbraw/zinc/86/39/28/563863928.db2.gz ZSUWKKXFIXZGQX-PMPSAXMXSA-N 1 0 384.307 2.984 20 0 GFADRO CCCC[N@H+](C)CCNC(=O)C(=O)Nc1cc2c(cc1Br)CCC2 ZINC000446555000 563865626 /nfs/dbraw/zinc/86/56/26/563865626.db2.gz JRRXBSJBDCKJGW-UHFFFAOYSA-N 1 0 396.329 2.724 20 0 GFADRO C[NH2+]C[C@@H]1CCCN1C(=O)N[C@@H](C)c1cc2c(cc1Br)OCCO2 ZINC000417173149 563870124 /nfs/dbraw/zinc/87/01/24/563870124.db2.gz GWNRXZVILJAQNK-RYUDHWBXSA-N 1 0 398.301 2.675 20 0 GFADRO C[C@@H](NC(=O)NC1CCC([NH3+])CC1)c1cc2c(cc1Br)OCCO2 ZINC000417175513 563870299 /nfs/dbraw/zinc/87/02/99/563870299.db2.gz JNPPETTZTVVWHW-VOMCLLRMSA-N 1 0 398.301 2.850 20 0 GFADRO C[C@@H](NC(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C)c1cc2c(cc1Br)OCCO2 ZINC000417174674 563870408 /nfs/dbraw/zinc/87/04/08/563870408.db2.gz ITRMUUMJNPWUKN-GRYCIOLGSA-N 1 0 398.301 2.673 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000446921676 563870431 /nfs/dbraw/zinc/87/04/31/563870431.db2.gz IAEGTKSQGOUORE-KBMXLJTQSA-N 1 0 393.336 2.866 20 0 GFADRO CC(C)[C@@H]([NH3+])CNC(=O)NCC1(c2cccc(Br)c2)CCOCC1 ZINC000417183444 563871384 /nfs/dbraw/zinc/87/13/84/563871384.db2.gz RQUFXGIYPRQPTR-INIZCTEOSA-N 1 0 398.345 2.780 20 0 GFADRO C[C@H](NC(=O)N[C@H]1C[NH2+]CC[C@@H]1C)c1cc2c(cc1Br)OCCO2 ZINC000417185289 563871471 /nfs/dbraw/zinc/87/14/71/563871471.db2.gz UATJGISRKYARDV-MJVIPROJSA-N 1 0 398.301 2.579 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)N[C@@H](C)c2cc3c(cc2Br)OCCO3)C1 ZINC000417190197 563871918 /nfs/dbraw/zinc/87/19/18/563871918.db2.gz ZQYQOQYQEDCKQE-SDDRHHMPSA-N 1 0 398.301 2.660 20 0 GFADRO Brc1cc(C[NH2+][C@H]2CCO[C@]3(CCOC3)C2)cc2c1OCCO2 ZINC000368464921 563871921 /nfs/dbraw/zinc/87/19/21/563871921.db2.gz DDBQBQNGSJEANV-SUMWQHHRSA-N 1 0 384.270 2.648 20 0 GFADRO O=S1(=O)CCC[C@@H]([NH2+]C2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000368583984 563874913 /nfs/dbraw/zinc/87/49/13/563874913.db2.gz QYJWNTKNZRAWAU-OAHLLOKOSA-N 1 0 376.444 2.841 20 0 GFADRO C[C@@H]1CN(C2CC2)C[C@H]1[NH2+]Cc1ccc(S(C)(=O)=O)c(C(F)(F)F)c1 ZINC000447094419 563874952 /nfs/dbraw/zinc/87/49/52/563874952.db2.gz RSLMKGZLSDBHMR-IAQYHMDHSA-N 1 0 376.444 2.681 20 0 GFADRO O=C(C[C@H]1COCC[NH2+]1)N1CCC(C(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000368599464 563875204 /nfs/dbraw/zinc/87/52/04/563875204.db2.gz ZZTXTESMPKHCGI-AWEZNQCLSA-N 1 0 385.291 2.793 20 0 GFADRO CO[C@@H]1CCN(C(=O)N[C@@H]2CCc3cc(Br)ccc32)[C@@H](C[NH3+])C1 ZINC000417243005 563875268 /nfs/dbraw/zinc/87/52/68/563875268.db2.gz OCKOCBRSNZHOBM-IIAWOOMASA-N 1 0 382.302 2.584 20 0 GFADRO COc1cc(Cl)c(S(=O)(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1Cl ZINC000447251744 563877770 /nfs/dbraw/zinc/87/77/70/563877770.db2.gz QAANEMOMPMGTAO-OPQQBVKSSA-N 1 0 379.309 2.750 20 0 GFADRO CCCC[C@@H](C[NH3+])NC(=O)NCCC(=O)Nc1cc(Br)ccc1C ZINC000417368820 563878620 /nfs/dbraw/zinc/87/86/20/563878620.db2.gz PJLJBBFCTRIROT-AWEZNQCLSA-N 1 0 399.333 2.903 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)NCCC[NH2+]C1CC1 ZINC000417372699 563878659 /nfs/dbraw/zinc/87/86/59/563878659.db2.gz ZOSPRLGPKBBSBA-UHFFFAOYSA-N 1 0 397.317 2.527 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000417369351 563878674 /nfs/dbraw/zinc/87/86/74/563878674.db2.gz QXXARNKGPYQDQT-OCCSQVGLSA-N 1 0 397.317 2.513 20 0 GFADRO CO[C@H]1CCN(C(=O)NCc2c(C)cc(Br)cc2C)[C@H](C[NH3+])C1 ZINC000417354844 563878794 /nfs/dbraw/zinc/87/87/94/563878794.db2.gz CUNVGSQANRWCDJ-GJZGRUSLSA-N 1 0 384.318 2.714 20 0 GFADRO [NH3+]C[C@H]1CCN(C(=O)NCc2cc(Br)ccc2OC(F)F)C1 ZINC000417414925 563879795 /nfs/dbraw/zinc/87/97/95/563879795.db2.gz WUTXHBGOCNJEEV-SECBINFHSA-N 1 0 378.217 2.541 20 0 GFADRO CCCC[C@@H](C[NH3+])NC(=O)NCCc1ccc(I)s1 ZINC000417439647 563880227 /nfs/dbraw/zinc/88/02/27/563880227.db2.gz MKNLJQWEWWXEMI-JTQLQIEISA-N 1 0 395.310 2.712 20 0 GFADRO COCC1(CNC(=O)N[C@H]2CCc3c2cccc3Br)CC[NH2+]CC1 ZINC000417453547 563880483 /nfs/dbraw/zinc/88/04/83/563880483.db2.gz OMBUUBOLEOPXTR-INIZCTEOSA-N 1 0 396.329 2.752 20 0 GFADRO CCC([NH3+])(CC)CNC(=O)NCCC(=O)Nc1ccc(Br)cc1C ZINC000417484266 563881024 /nfs/dbraw/zinc/88/10/24/563881024.db2.gz KMQMPBMDSXCZGK-UHFFFAOYSA-N 1 0 399.333 2.903 20 0 GFADRO CC(C)C[C@@H](C[NH3+])NC(=O)N[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000417480867 563881072 /nfs/dbraw/zinc/88/10/72/563881072.db2.gz MYHYTHOFYUVYAG-CABCVRRESA-N 1 0 383.334 2.700 20 0 GFADRO Cc1cc(NC(=O)N[C@@H]2CCC[N@H+](CCCO)C2)cc(F)c1Br ZINC000417523616 563881517 /nfs/dbraw/zinc/88/15/17/563881517.db2.gz IKUVUALVKQUPCI-GFCCVEGCSA-N 1 0 388.281 2.865 20 0 GFADRO CCS(=O)(=O)NCCC[NH2+]Cc1cc(Cl)c(C)cc1Br ZINC000449106991 563906900 /nfs/dbraw/zinc/90/69/00/563906900.db2.gz KNNCQFRCOCUNOS-UHFFFAOYSA-N 1 0 383.739 2.830 20 0 GFADRO Cc1cc(NC(=O)NC[C@H]2CCCC[N@@H+]2CCO)cc(F)c1Br ZINC000417528363 563882314 /nfs/dbraw/zinc/88/23/14/563882314.db2.gz PNWFPNPBZRWKIU-CYBMUJFWSA-N 1 0 388.281 2.865 20 0 GFADRO C[C@@H](CO)[N@@H+]1CCCN(C(=O)[C@H](C)Sc2nc3ccccc3s2)CC1 ZINC000368976659 563883386 /nfs/dbraw/zinc/88/33/86/563883386.db2.gz XYVGNASQVYAZKV-KBPBESRZSA-N 1 0 379.551 2.692 20 0 GFADRO Cc1cc(CN2CCC(N(C)C(=O)NCCSC(F)(F)F)CC2)on1 ZINC000368980200 563883683 /nfs/dbraw/zinc/88/36/83/563883683.db2.gz CQLHYTSEXZNLMP-UHFFFAOYSA-N 1 0 380.436 2.842 20 0 GFADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)NC1(c2ccc(Br)cc2)CC1 ZINC000369051153 563885430 /nfs/dbraw/zinc/88/54/30/563885430.db2.gz RCOQQEJLJJGZRH-HZPDHXFCSA-N 1 0 394.313 2.601 20 0 GFADRO Cc1cc(NC(=O)NC[C@H](c2cccs2)[NH+](C)C)nn1CC(F)(F)F ZINC000417606588 563886231 /nfs/dbraw/zinc/88/62/31/563886231.db2.gz FOVRFCUDVPNRAM-LLVKDONJSA-N 1 0 375.420 3.240 20 0 GFADRO CC[C@H](NC(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+])c1ccc(Cl)s1 ZINC000417645437 563886797 /nfs/dbraw/zinc/88/67/97/563886797.db2.gz HBKNOQUEABPGNS-STQMWFEESA-N 1 0 386.949 2.882 20 0 GFADRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNc1ccc(S(N)(=O)=O)cc1C(F)(F)F ZINC000447809026 563887135 /nfs/dbraw/zinc/88/71/35/563887135.db2.gz AGPBHNBPGSBOIH-AWEZNQCLSA-N 1 0 379.448 2.885 20 0 GFADRO C[C@@H](CNC(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2)Oc1ccc(Br)cc1 ZINC000417772642 563888477 /nfs/dbraw/zinc/88/84/77/563888477.db2.gz ICFNUJGCBWDPGV-CFVMTHIKSA-N 1 0 382.302 2.752 20 0 GFADRO C[NH+](C)[C@]1(CNS(=O)(=O)c2ccc(C(F)(F)F)c(F)c2)CCSC1 ZINC000447875373 563889467 /nfs/dbraw/zinc/88/94/67/563889467.db2.gz QLXYZCVICVHMAM-ZDUSSCGKSA-N 1 0 386.436 2.560 20 0 GFADRO C[C@H](CNC(=O)N1CCC[C@H](CC[NH3+])C1)Oc1ccccc1Br ZINC000417825301 563889766 /nfs/dbraw/zinc/88/97/66/563889766.db2.gz MYVWWFSJTMIDMM-ZIAGYGMSSA-N 1 0 384.318 2.987 20 0 GFADRO COCCOC[C@H]1CC[N@H+](Cc2ccc(F)cc2I)C1 ZINC000417806969 563889810 /nfs/dbraw/zinc/88/98/10/563889810.db2.gz HEZRABJSIMDGCA-LBPRGKRZSA-N 1 0 393.240 2.915 20 0 GFADRO C[C@H](Cc1ccc(F)c(Br)c1)NC(=O)N[C@H](CC[NH3+])C(F)F ZINC000417893775 563890809 /nfs/dbraw/zinc/89/08/09/563890809.db2.gz FGUKUSBNBLSJSK-PRHODGIISA-N 1 0 382.224 2.801 20 0 GFADRO CNC(=O)C1CCC([NH2+]Cc2ccc(F)cc2I)CC1 ZINC000417895277 563890821 /nfs/dbraw/zinc/89/08/21/563890821.db2.gz PRPCPXSQXBTPNU-UHFFFAOYSA-N 1 0 390.240 2.825 20 0 GFADRO COCC[N@@H+]1CCC[C@@H]1CNCc1ccc(F)cc1I ZINC000417899454 563890879 /nfs/dbraw/zinc/89/08/79/563890879.db2.gz KVPQIZWECRLLSI-CQSZACIVSA-N 1 0 392.256 2.631 20 0 GFADRO C[NH2+][C@@H]1CCN(C(=O)N[C@H](C)c2nc(-c3ccc(Br)cc3)no2)C1 ZINC000417889863 563890987 /nfs/dbraw/zinc/89/09/87/563890987.db2.gz JYHWBYHJEYISLD-ZWNOBZJWSA-N 1 0 394.273 2.563 20 0 GFADRO CCn1cncc1C[NH2+]CCCNC(=O)c1cc(OC)ccc1Br ZINC000417904820 563891585 /nfs/dbraw/zinc/89/15/85/563891585.db2.gz WLXCVALEJSVNJJ-UHFFFAOYSA-N 1 0 395.301 2.584 20 0 GFADRO CC(C)(CNC(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1)c1ccccc1Br ZINC000417911466 563891668 /nfs/dbraw/zinc/89/16/68/563891668.db2.gz LWNUROVCZGCYCK-KBPBESRZSA-N 1 0 380.330 2.978 20 0 GFADRO C[C@H](Cc1cc(Br)ccc1F)NC(=O)N[C@@H](CC[NH3+])C(F)F ZINC000417951296 563892354 /nfs/dbraw/zinc/89/23/54/563892354.db2.gz YQQFFANXVZEAGU-PELKAZGASA-N 1 0 382.224 2.801 20 0 GFADRO CO[C@@H](c1ccc(Br)cc1)[C@H](C)NC(=O)N1CCC(C[NH3+])CC1 ZINC000417981533 563893427 /nfs/dbraw/zinc/89/34/27/563893427.db2.gz JZOYRLPOZBZRPT-BLLLJJGKSA-N 1 0 384.318 2.905 20 0 GFADRO C[NH2+]C[C@@H]1CCCN1C(=O)N[C@@H](C)[C@H](OC)c1ccc(Br)cc1 ZINC000417980172 563893664 /nfs/dbraw/zinc/89/36/64/563893664.db2.gz IFHFGZLVTKJXAS-RCBQFDQVSA-N 1 0 384.318 2.919 20 0 GFADRO C[NH2+][C@H]1CCCN(C(=O)NCCCc2ccc(Br)cc2OC)C1 ZINC000418006189 563894938 /nfs/dbraw/zinc/89/49/38/563894938.db2.gz PXVPQLWXXFJWPL-HNNXBMFYSA-N 1 0 384.318 2.784 20 0 GFADRO O=C(N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000418011882 563895192 /nfs/dbraw/zinc/89/51/92/563895192.db2.gz VKZSPDOILAZJBI-MELADBBJSA-N 1 0 383.323 2.823 20 0 GFADRO Cc1cc(Br)cn2cc(CNC(=O)N3CC[C@H](C)C[C@@H]3C[NH3+])nc12 ZINC000418021504 563895560 /nfs/dbraw/zinc/89/55/60/563895560.db2.gz PVGAWLMBIUFOLW-XHDPSFHLSA-N 1 0 394.317 2.674 20 0 GFADRO Cc1ccc(NC(=O)C(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)cc1Br ZINC000448326462 563896186 /nfs/dbraw/zinc/89/61/86/563896186.db2.gz ZYVMNVMLOJNLCX-HNNXBMFYSA-N 1 0 396.329 2.933 20 0 GFADRO CCCOC[C@@H](Cc1cccc(Br)c1)NC(=O)N(C)[C@H](C)C[NH3+] ZINC000418032308 563896588 /nfs/dbraw/zinc/89/65/88/563896588.db2.gz PQFAYXJCTZSWHT-CZUORRHYSA-N 1 0 386.334 2.775 20 0 GFADRO CCn1c(CNC(=O)N2CC[C@H]([NH3+])[C@H](C)C2)nc2cc(Br)ccc21 ZINC000418060780 563897429 /nfs/dbraw/zinc/89/74/29/563897429.db2.gz CZSYJMICCDGHKP-YPMHNXCESA-N 1 0 394.317 2.697 20 0 GFADRO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000418081982 563898062 /nfs/dbraw/zinc/89/80/62/563898062.db2.gz PBLCYUZQVMAHQR-LEWSCRJBSA-N 1 0 385.295 2.525 20 0 GFADRO CC(C)[C@@H]([NH3+])CNC(=O)N[C@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O ZINC000418085329 563898082 /nfs/dbraw/zinc/89/80/82/563898082.db2.gz XRNQCNHAPSALKS-KBPBESRZSA-N 1 0 387.311 2.771 20 0 GFADRO CC(C)[C@@H]([NH3+])CNC(=O)N[C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O ZINC000418085331 563898152 /nfs/dbraw/zinc/89/81/52/563898152.db2.gz XRNQCNHAPSALKS-UONOGXRCSA-N 1 0 387.311 2.771 20 0 GFADRO CN(C(=O)NCc1ccc(Cl)cc1I)C1CC([NH3+])C1 ZINC000418088929 563898473 /nfs/dbraw/zinc/89/84/73/563898473.db2.gz LEBSMRVNWLEAJO-UHFFFAOYSA-N 1 0 393.656 2.576 20 0 GFADRO CC1(CNC(=O)N[C@@H]2CCN(c3cccc(Br)c3)C2)CC[NH2+]CC1 ZINC000418096100 563898542 /nfs/dbraw/zinc/89/85/42/563898542.db2.gz JVTWHEHPPONRST-OAHLLOKOSA-N 1 0 395.345 2.717 20 0 GFADRO [NH3+][C@@H]1CCCN(C(=O)NCc2ccc(Cl)cc2I)C1 ZINC000418093473 563898700 /nfs/dbraw/zinc/89/87/00/563898700.db2.gz SMNLMUOFZKJLBC-LLVKDONJSA-N 1 0 393.656 2.577 20 0 GFADRO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1Cc1ccc(Br)c2cccnc12 ZINC000418108601 563898938 /nfs/dbraw/zinc/89/89/38/563898938.db2.gz GTEIGEDUFBFYKK-ZIAGYGMSSA-N 1 0 378.314 2.884 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[N@H+](C)C[C@H]1CCC[C@H]1O ZINC000449044360 563905910 /nfs/dbraw/zinc/90/59/10/563905910.db2.gz DIUJYXQHRNSPHL-WOSRLPQWSA-N 1 0 399.329 2.555 20 0 GFADRO CC[C@@H](CO)[NH+]1CCN(Cc2ccnc3c(Br)cccc23)CC1 ZINC000449037733 563906051 /nfs/dbraw/zinc/90/60/51/563906051.db2.gz OMCCFOWZCMWNIK-HNNXBMFYSA-N 1 0 378.314 2.886 20 0 GFADRO Fc1cc(Br)cc(C[NH2+]C[C@]2(N3CCOCC3)CCSC2)c1 ZINC000449088933 563906469 /nfs/dbraw/zinc/90/64/69/563906469.db2.gz CDWXURSOJKYFLM-MRXNPFEDSA-N 1 0 389.334 2.886 20 0 GFADRO COC(=O)c1nn(-c2ccc(Cl)c(Cl)c2)cc1C[NH2+]CC1(O)CCC1 ZINC000449146916 563907460 /nfs/dbraw/zinc/90/74/60/563907460.db2.gz DRERQLLXAXEPMW-UHFFFAOYSA-N 1 0 384.263 2.970 20 0 GFADRO CN(C)C(=O)[C@@H]1CC[C@@H](C[NH2+][C@H]2CCc3c2ccc(F)c3Br)O1 ZINC000449202984 563907888 /nfs/dbraw/zinc/90/78/88/563907888.db2.gz JQMDJWBQGCKFQH-LKTVYLICSA-N 1 0 385.277 2.801 20 0 GFADRO COCCNC(=O)[C@H](CC(C)C)[NH2+]Cc1cccc(Br)c1F ZINC000449217527 563908301 /nfs/dbraw/zinc/90/83/01/563908301.db2.gz ZSOQOMWEWNMTMB-AWEZNQCLSA-N 1 0 375.282 2.855 20 0 GFADRO CN(C)C(=O)[C@H]1CC[C@H](C[NH2+]Cc2ccnc3c(Br)cccc23)O1 ZINC000449203824 563908378 /nfs/dbraw/zinc/90/83/78/563908378.db2.gz LFTRVCRUFOTQQM-CZUORRHYSA-N 1 0 392.297 2.723 20 0 GFADRO O=C1NC2(CCCC2)C(=O)N1CC[NH2+]Cc1cccc(Br)c1F ZINC000449255304 564178099 /nfs/dbraw/zinc/17/80/99/564178099.db2.gz CIGXSCNEXKOCDI-UHFFFAOYSA-N 1 0 384.249 2.542 20 0 GFADRO Cn1cc(N2CC[C@H]([NH2+][C@H]3CCCc4ccc(Br)cc43)C2=O)cn1 ZINC000537971375 564178231 /nfs/dbraw/zinc/17/82/31/564178231.db2.gz LUIPSEJLABVQNM-IRXDYDNUSA-N 1 0 389.297 2.955 20 0 GFADRO C[C@H](Cn1cc(Br)cn1)[NH2+]C1CCN(C(=O)CC(F)(F)F)CC1 ZINC000537974085 564178328 /nfs/dbraw/zinc/17/83/28/564178328.db2.gz MKZOPSDBMMXNSJ-SNVBAGLBSA-N 1 0 397.239 2.567 20 0 GFADRO CC[N@H+](CC(=O)Nc1cc(F)c(I)c(F)c1)C1CC1 ZINC000505206574 564178566 /nfs/dbraw/zinc/17/85/66/564178566.db2.gz ATDQUYQZMWFWQX-UHFFFAOYSA-N 1 0 380.176 2.992 20 0 GFADRO COc1ccc([C@@H](C)[NH2+]CCS(=O)(=O)NC(C)(C)C)cc1Br ZINC000537940978 564178608 /nfs/dbraw/zinc/17/86/08/564178608.db2.gz DKYCYOGQZAIFDM-LLVKDONJSA-N 1 0 393.347 2.826 20 0 GFADRO O=C([C@@H](c1ccc(Br)cc1)N1CCCC1)N1CC[NH+]2CCC1CC2 ZINC000470847169 564179120 /nfs/dbraw/zinc/17/91/20/564179120.db2.gz KYOKXGBXCRYSSS-GOSISDBHSA-N 1 0 392.341 2.893 20 0 GFADRO CCOCCOC[C@H](O)C[NH2+][C@@H]1CCc2c1ccc(F)c2Br ZINC000449288283 564179687 /nfs/dbraw/zinc/17/96/87/564179687.db2.gz ZCXIVIJUDSAVRN-IAQYHMDHSA-N 1 0 376.266 2.579 20 0 GFADRO CS(=O)(=O)N[C@H]1CCCC[C@@H]1C[NH2+]Cc1cc(F)cc(Br)c1 ZINC000449317780 564180982 /nfs/dbraw/zinc/18/09/82/564180982.db2.gz CAVZSPPFNVPJAJ-DOMZBBRYSA-N 1 0 393.322 2.786 20 0 GFADRO CCC[C@@H](C[NH2+]Cc1cc(Br)ccc1O[C@H](C)C(=O)NC)OC ZINC000449373925 564181763 /nfs/dbraw/zinc/18/17/63/564181763.db2.gz CYFSXGFILQASCM-DOMZBBRYSA-N 1 0 387.318 2.867 20 0 GFADRO CC(=O)Nc1cccc([C@H](C)[NH2+]CCn2cc(Br)ccc2=O)c1 ZINC000449373024 564181769 /nfs/dbraw/zinc/18/17/69/564181769.db2.gz BBSNDYTZDLWACD-LBPRGKRZSA-N 1 0 378.270 2.920 20 0 GFADRO Cc1nc(-c2ccccc2F)sc1[C@H](C)[NH2+][C@H]1CCN(S(C)(=O)=O)C1 ZINC000563263441 564183387 /nfs/dbraw/zinc/18/33/87/564183387.db2.gz GIZWOZKOQZACAB-AAEUAGOBSA-N 1 0 383.514 2.942 20 0 GFADRO O=S(=O)(N[C@H]1CC[N@@H+]2CCCC[C@H]12)c1c(F)cccc1OC(F)(F)F ZINC000563293176 564184455 /nfs/dbraw/zinc/18/44/55/564184455.db2.gz SNDZOQSQVINUBL-NWDGAFQWSA-N 1 0 382.379 2.629 20 0 GFADRO [NH3+]CCC1CCN(C(=O)[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)CC1 ZINC000563338672 564186228 /nfs/dbraw/zinc/18/62/28/564186228.db2.gz MBHFBHNZOUTQOY-AWEZNQCLSA-N 1 0 384.307 2.934 20 0 GFADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]Cc1cnn(CC(F)(F)F)c1 ZINC000563343213 564187446 /nfs/dbraw/zinc/18/74/46/564187446.db2.gz HBRGNQBWPAGLEO-SNVBAGLBSA-N 1 0 393.207 2.548 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)C2(c3cccc(Br)c3)CC(=O)C2)C[N@@H+]1C1CC1 ZINC000538388509 564190245 /nfs/dbraw/zinc/19/02/45/564190245.db2.gz GAJLYVZGVSVSPB-DOMZBBRYSA-N 1 0 391.309 2.791 20 0 GFADRO C[C@@H]1C[C@H]([NH2+]C[C@@H](CO)Cc2cc(Br)ccc2F)CN1C1CC1 ZINC000449600615 564190906 /nfs/dbraw/zinc/19/09/06/564190906.db2.gz OTAKLDYCHQAOBV-WWGRRREGSA-N 1 0 385.321 2.954 20 0 GFADRO C[NH+](C)CCN1CCN(C(=O)c2cccc3cccc(Br)c32)CC1 ZINC000506012633 564194328 /nfs/dbraw/zinc/19/43/28/564194328.db2.gz PWWVXEBKWGIILM-UHFFFAOYSA-N 1 0 390.325 2.922 20 0 GFADRO C[C@H]1OCC[C@@H]1[N@H+](CCO)Cc1cc(Br)c2c(c1)OCCCO2 ZINC000449676545 564194783 /nfs/dbraw/zinc/19/47/83/564194783.db2.gz HXIFXKQJRQROKU-DOMZBBRYSA-N 1 0 386.286 2.582 20 0 GFADRO OC[C@@H](C[NH2+]Cc1c[nH]c2nccnc12)Cc1ccc(F)c(Br)c1 ZINC000449682162 564195477 /nfs/dbraw/zinc/19/54/77/564195477.db2.gz LHJGLTVREQNPPT-GFCCVEGCSA-N 1 0 393.260 2.752 20 0 GFADRO CCNC(=O)[C@@H](C)[NH2+][C@H]1CCCOc2ccc(I)cc21 ZINC000538622990 564195521 /nfs/dbraw/zinc/19/55/21/564195521.db2.gz SKHQJOHQYYGDCW-MFKMUULPSA-N 1 0 388.249 2.619 20 0 GFADRO NC(=O)c1cccc(C[NH2+]C[C@@H](CO)Cc2ccc(F)c(Br)c2)c1 ZINC000449682301 564195927 /nfs/dbraw/zinc/19/59/27/564195927.db2.gz NNPVQVCWCLHPEW-AWEZNQCLSA-N 1 0 395.272 2.628 20 0 GFADRO C[C@@H]1CN(C2CC2)C[C@H]1[NH2+]C[C@@H](CO)Cc1ccc(F)c(Br)c1 ZINC000449685109 564196721 /nfs/dbraw/zinc/19/67/21/564196721.db2.gz RJHLGGWNUUXNJG-UVBSCNOISA-N 1 0 385.321 2.812 20 0 GFADRO Cc1c(Br)ccnc1NC(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1 ZINC000563550202 564196685 /nfs/dbraw/zinc/19/66/85/564196685.db2.gz KFYPZCROTQOGTG-ZDUSSCGKSA-N 1 0 385.306 2.727 20 0 GFADRO COCC[N@@H+](CC(=O)Nc1ccc(I)cc1)CC(C)C ZINC000506159238 564197189 /nfs/dbraw/zinc/19/71/89/564197189.db2.gz FTTCKJLNVJIHOA-UHFFFAOYSA-N 1 0 390.265 2.834 20 0 GFADRO COc1ccc(Br)cc1C(=O)CCC(=O)N[C@@H]1CC[NH2+]CC1(C)C ZINC000449693394 564197278 /nfs/dbraw/zinc/19/72/78/564197278.db2.gz DCVUSKSRKPOVLD-MRXNPFEDSA-N 1 0 397.313 2.925 20 0 GFADRO Cc1nc(C(=O)N[C@@H](CC[NH3+])C(F)(F)F)nn1-c1c(Cl)cccc1Cl ZINC000449713794 564197816 /nfs/dbraw/zinc/19/78/16/564197816.db2.gz APCQPHHVEJHYHO-JTQLQIEISA-N 1 0 396.200 2.892 20 0 GFADRO CC1(C)C[NH2+]CC[C@@H]1NC(=O)c1nn(-c2ccc(F)cc2)cc1Br ZINC000449701337 564198172 /nfs/dbraw/zinc/19/81/72/564198172.db2.gz BXFLXEBFDBRLAF-AWEZNQCLSA-N 1 0 395.276 2.892 20 0 GFADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc(-n4cc(Br)cn4)cc3)[C@H]2C1 ZINC000538713998 564198273 /nfs/dbraw/zinc/19/82/73/564198273.db2.gz FZCFMTIICNWGKT-DYVFJYSZSA-N 1 0 389.297 2.801 20 0 GFADRO C[C@@H](NC(=O)NC[C@@H]1CCC[NH2+]1)c1nc(-c2ccc(Br)cc2)no1 ZINC000563585790 564198491 /nfs/dbraw/zinc/19/84/91/564198491.db2.gz LYQKKJLEXISBKK-MFKMUULPSA-N 1 0 394.273 2.611 20 0 GFADRO O=C(NCCC1=CC[NH2+]CC1)N[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000563595373 564198509 /nfs/dbraw/zinc/19/85/09/564198509.db2.gz DCVPDLBUXRQUPW-INIZCTEOSA-N 1 0 393.329 2.637 20 0 GFADRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)C1 ZINC000449717360 564198681 /nfs/dbraw/zinc/19/86/81/564198681.db2.gz MXURQBXUJXKPKG-KFNAQCHYSA-N 1 0 384.307 2.842 20 0 GFADRO CCOc1c(Br)cc(C(=O)N2CCC[C@H]3C[NH2+]C[C@H]32)cc1OC ZINC000449723058 564198726 /nfs/dbraw/zinc/19/87/26/564198726.db2.gz FEVOLLRVJQXVDQ-SMDDNHRTSA-N 1 0 383.286 2.680 20 0 GFADRO [NH3+]C[C@H]1CC[C@@H](NC(=O)CCc2nc(-c3cc(Br)cs3)no2)C1 ZINC000449723925 564198733 /nfs/dbraw/zinc/19/87/33/564198733.db2.gz XRYYEHUTSIPOFZ-GXSJLCMTSA-N 1 0 399.314 2.737 20 0 GFADRO CCOc1ccc(Br)cc1CN(C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21)C1CC1 ZINC000563606393 564199348 /nfs/dbraw/zinc/19/93/48/564199348.db2.gz QNIDLUOJBREVGC-QLPKVWCKSA-N 1 0 394.313 2.740 20 0 GFADRO C[C@@H](C(=O)NCCCOc1ncc(C(F)(F)F)cc1Cl)[NH+]1CC(C)C1 ZINC000563636197 564200261 /nfs/dbraw/zinc/20/02/61/564200261.db2.gz LOXXVPFWFKUYQM-NSHDSACASA-N 1 0 379.810 2.979 20 0 GFADRO C[N@H+]1CC=C(CNS(=O)(=O)c2cc(Cl)c(Br)cc2F)CC1 ZINC000471638074 564200670 /nfs/dbraw/zinc/20/06/70/564200670.db2.gz QCRHHFBDXSWWIK-UHFFFAOYSA-N 1 0 397.697 2.782 20 0 GFADRO CSc1ccc(C[N@H+](C)CCOc2ccc(S(N)(=O)=O)cc2F)s1 ZINC000449757324 564200893 /nfs/dbraw/zinc/20/08/93/564200893.db2.gz SEKOOPWUVQNYFH-UHFFFAOYSA-N 1 0 390.527 2.767 20 0 GFADRO C[NH+]1CCN(c2ncccc2CNC(=O)c2ccsc2Br)CC1 ZINC000449803216 564203013 /nfs/dbraw/zinc/20/30/13/564203013.db2.gz NHLLDBHUNSBHRZ-UHFFFAOYSA-N 1 0 395.326 2.587 20 0 GFADRO C[C@@]1(CNS(=O)(=O)Cc2cc(Cl)ccc2Br)CCC[NH2+]C1 ZINC000563715950 564204031 /nfs/dbraw/zinc/20/40/31/564204031.db2.gz OSFKWDDPKBGNEE-CQSZACIVSA-N 1 0 395.750 2.912 20 0 GFADRO COc1ccc2c(c1F)CC[C@@H]2[NH2+]CCN(C)S(=O)(=O)c1cccs1 ZINC000563767196 564205700 /nfs/dbraw/zinc/20/57/00/564205700.db2.gz VLJFGCDGHXGZIZ-AWEZNQCLSA-N 1 0 384.498 2.793 20 0 GFADRO COCC[N@@H+]1CC[C@@H](NC(=O)c2ccn(-c3ccc(Cl)cc3Cl)n2)C1 ZINC000538957800 564206687 /nfs/dbraw/zinc/20/66/87/564206687.db2.gz KTQBNQAKJGQXIO-CYBMUJFWSA-N 1 0 383.279 2.630 20 0 GFADRO C[C@@H]([NH2+]CC1CCS(=O)(=O)CC1)c1ccccc1I ZINC000539049556 564208340 /nfs/dbraw/zinc/20/83/40/564208340.db2.gz UFMOWGRFMPCIKQ-LLVKDONJSA-N 1 0 393.290 2.767 20 0 GFADRO COCCc1nc(C)c([C@@H](C)[NH2+]Cc2cccc(NS(C)(=O)=O)c2)s1 ZINC000539074803 564208605 /nfs/dbraw/zinc/20/86/05/564208605.db2.gz DZMLUCSEBAZULV-GFCCVEGCSA-N 1 0 383.539 2.863 20 0 GFADRO C[C@@H]([NH3+])C[C@H](C)NS(=O)(=O)c1cccc(COCC(F)(F)C(F)F)c1 ZINC000563886613 564211719 /nfs/dbraw/zinc/21/17/19/564211719.db2.gz RHALGFHENAFVBQ-MNOVXSKESA-N 1 0 386.411 2.508 20 0 GFADRO CC(C)C(=O)N1CCC([NH2+]C[C@@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000563892559 564211963 /nfs/dbraw/zinc/21/19/63/564211963.db2.gz UJFXGILGFOVYDJ-OAHLLOKOSA-N 1 0 389.323 2.970 20 0 GFADRO Cc1ccc(Br)c(C(=O)NC2CCC(N3CC[NH2+]CC3)CC2)c1 ZINC000563888952 564212053 /nfs/dbraw/zinc/21/20/53/564212053.db2.gz OKPNJUVRQWXAFH-UHFFFAOYSA-N 1 0 380.330 2.704 20 0 GFADRO CC[N@@H+]1CC[C@H](CNC(=O)c2c(O)cnc3c(Br)cccc32)C1 ZINC000563919706 564212448 /nfs/dbraw/zinc/21/24/48/564212448.db2.gz BGLAKAOGNHPJRJ-LLVKDONJSA-N 1 0 378.270 2.775 20 0 GFADRO COCC[N@@H+]1CC[C@H](NC(=O)N2CCc3cc(Br)cc(C)c3C2)C1 ZINC000539229275 564213886 /nfs/dbraw/zinc/21/38/86/564213886.db2.gz NPWLXPFWADJRBX-INIZCTEOSA-N 1 0 396.329 2.546 20 0 GFADRO O=C(Nc1ccc2c(c1)NC(=O)CS2)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000563942355 564213940 /nfs/dbraw/zinc/21/39/40/564213940.db2.gz WSOZPXBAFWFQPF-CQSZACIVSA-N 1 0 377.535 2.887 20 0 GFADRO CC(C)OCC[C@@H](O)C[NH2+]C(C)(C)COc1ncccc1Br ZINC000472149462 564214619 /nfs/dbraw/zinc/21/46/19/564214619.db2.gz CJTSNJFQXGXGNG-CYBMUJFWSA-N 1 0 375.307 2.767 20 0 GFADRO CCC[N@H+](CC)CCNC(=O)c1ccc(I)cc1F ZINC000450029207 564214748 /nfs/dbraw/zinc/21/47/48/564214748.db2.gz UMFYHBJBRRIVDS-UHFFFAOYSA-N 1 0 378.229 2.892 20 0 GFADRO C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)c2ccsc2Br)CC1 ZINC000450030059 564214771 /nfs/dbraw/zinc/21/47/71/564214771.db2.gz VLTQPRZROHTWGQ-LLVKDONJSA-N 1 0 375.332 2.675 20 0 GFADRO CCOc1c(Br)cc(C[NH2+][C@@H](CO)C2CCOCC2)cc1OC ZINC000563995574 564215954 /nfs/dbraw/zinc/21/59/54/564215954.db2.gz PQWDBAWIFMKHDV-HNNXBMFYSA-N 1 0 388.302 2.734 20 0 GFADRO Cc1cc(Br)cc2c1CN(C[C@H](O)COC1CCOCC1)CC2 ZINC000539380095 564217429 /nfs/dbraw/zinc/21/74/29/564217429.db2.gz GBLUIVWZYCAQQU-INIZCTEOSA-N 1 0 384.314 2.672 20 0 GFADRO CC(C)(C[NH2+][C@H]1CCCOc2ccc(I)cc21)C(N)=O ZINC000539370076 564217793 /nfs/dbraw/zinc/21/77/93/564217793.db2.gz CWNQKAANNDIVKM-LBPRGKRZSA-N 1 0 388.249 2.606 20 0 GFADRO COc1ccc(Br)c(CN(C)C(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)c1 ZINC000564064648 564218535 /nfs/dbraw/zinc/21/85/35/564218535.db2.gz VAEDFRQBPWNYAZ-DOTOQJQBSA-N 1 0 396.329 2.987 20 0 GFADRO C[N@H+]1CC=C(CNC(=O)c2ccc(Cl)c(I)c2)CC1 ZINC000539453675 564220396 /nfs/dbraw/zinc/22/03/96/564220396.db2.gz SAHINILWBIWZDT-UHFFFAOYSA-N 1 0 390.652 2.936 20 0 GFADRO CS[C@@H]1CN(CC(=O)NCCc2cccc(Cl)c2Cl)C[C@@H]1[NH+](C)C ZINC000539493602 564220917 /nfs/dbraw/zinc/22/09/17/564220917.db2.gz OYIIUSXLHIAEHP-LSDHHAIUSA-N 1 0 390.380 2.630 20 0 GFADRO Cc1cc(S(=O)(=O)N2CCC(OCC[NH+](C)C)CC2)c(Cl)cc1F ZINC000472316790 564220961 /nfs/dbraw/zinc/22/09/61/564220961.db2.gz XDKJABYOSPORDR-UHFFFAOYSA-N 1 0 378.897 2.519 20 0 GFADRO CC[C@@H]([NH2+]CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1)C(C)(C)C ZINC000539491815 564221092 /nfs/dbraw/zinc/22/10/92/564221092.db2.gz UYPJVZQCGKMNOU-OAHLLOKOSA-N 1 0 389.949 2.943 20 0 GFADRO CC(C)[NH+]1CCC(O)(CNC(=O)CCc2cc(Br)cs2)CC1 ZINC000472426486 564222922 /nfs/dbraw/zinc/22/29/22/564222922.db2.gz MRIKYELKWOJJBO-UHFFFAOYSA-N 1 0 389.359 2.795 20 0 GFADRO CC(C)[NH+]1CCC(O)(CNC(=O)[C@@H]2C[C@@H]2c2ccc(Br)cc2)CC1 ZINC000472408072 564223035 /nfs/dbraw/zinc/22/30/35/564223035.db2.gz FKRSWWJVEFPJAO-IAGOWNOFSA-N 1 0 395.341 2.904 20 0 GFADRO O=C(COc1c(Cl)cc(Cl)cc1Cl)NC[C@H](O)C[NH+]1CCCCC1 ZINC000450235076 564223015 /nfs/dbraw/zinc/22/30/15/564223015.db2.gz WKOXCRYQXBFHJW-LBPRGKRZSA-N 1 0 395.714 2.989 20 0 GFADRO CC[NH+](CC)[C@H](C)CNC(=O)N(CCO)Cc1ccc(Br)s1 ZINC000472459072 564223434 /nfs/dbraw/zinc/22/34/34/564223434.db2.gz LGWOZYSCGMMVCK-GFCCVEGCSA-N 1 0 392.363 2.745 20 0 GFADRO C[C@@H]([NH2+]C[C@@H]1CCCCN1S(C)(=O)=O)c1ccc(Br)cc1 ZINC000507268904 564224404 /nfs/dbraw/zinc/22/44/04/564224404.db2.gz UVSUMGUVVKGGHM-DOMZBBRYSA-N 1 0 375.332 2.914 20 0 GFADRO C[C@@H]([NH2+]C[C@@H]1CCCCN1S(C)(=O)=O)c1ccccc1Br ZINC000507274884 564224507 /nfs/dbraw/zinc/22/45/07/564224507.db2.gz ADXOLWGQTUFLOP-OLZOCXBDSA-N 1 0 375.332 2.914 20 0 GFADRO CC[NH+](CC)CCOC1CCN(S(=O)(=O)Cc2cccc(Cl)c2)CC1 ZINC000564246500 564225482 /nfs/dbraw/zinc/22/54/82/564225482.db2.gz LFPMTJGNLYLYFB-UHFFFAOYSA-N 1 0 388.961 2.993 20 0 GFADRO Brc1ccc2c(c1)ncnc2N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000450327568 564227988 /nfs/dbraw/zinc/22/79/88/564227988.db2.gz DDULNOMPMOUBRA-AWEZNQCLSA-N 1 0 391.313 2.941 20 0 GFADRO COC(=O)c1ccc(S(=O)(=O)NC[C@@H](C)[N@@H+]2CCCC[C@@H]2C)c(Cl)c1 ZINC000507393014 564228149 /nfs/dbraw/zinc/22/81/49/564228149.db2.gz VHRZOYGWBIXXKF-QWHCGFSZSA-N 1 0 388.917 2.668 20 0 GFADRO CCC[N@H+](CC)C[C@H](C)NS(=O)(=O)c1cc(Br)ccc1OC ZINC000564406129 564232695 /nfs/dbraw/zinc/23/26/95/564232695.db2.gz VCDMIBLLTBMQKT-LBPRGKRZSA-N 1 0 393.347 2.856 20 0 GFADRO CC(C)OCCS(=O)(=O)N(CC[NH+]1CCCC1)Cc1ccc(Cl)cc1 ZINC000472749597 564233026 /nfs/dbraw/zinc/23/30/26/564233026.db2.gz JQGCARQQICIZRU-UHFFFAOYSA-N 1 0 388.961 2.993 20 0 GFADRO C[NH+]1CCC(C)(CNC(=O)c2ccc(F)c(I)c2)CC1 ZINC000507574133 564233402 /nfs/dbraw/zinc/23/34/02/564233402.db2.gz PRPZVKCBASMQPR-UHFFFAOYSA-N 1 0 390.240 2.892 20 0 GFADRO Cc1cc(S(=O)(=O)N2CCN(CC[C@@H]3CCCC[N@H+]3C)CC2)c(C)s1 ZINC000472777434 564233980 /nfs/dbraw/zinc/23/39/80/564233980.db2.gz ZFCNWYLCYXFXBW-KRWDZBQOSA-N 1 0 385.599 2.546 20 0 GFADRO [NH3+]C1(CNC(=O)Cc2cc3c(cc2Br)OCCO3)CCCCC1 ZINC000564455044 564235005 /nfs/dbraw/zinc/23/50/05/564235005.db2.gz WLAHRWOVFFDFCX-UHFFFAOYSA-N 1 0 383.286 2.541 20 0 GFADRO Cc1cc(F)c(NC(=O)NC[C@H]2CCC[N@H+]2C)c(I)c1 ZINC000540006576 564236087 /nfs/dbraw/zinc/23/60/87/564236087.db2.gz LMULHBBHUDWXIR-SNVBAGLBSA-N 1 0 391.228 2.954 20 0 GFADRO COC(=O)c1cc(Br)c(F)cc1NC(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000564548898 564238735 /nfs/dbraw/zinc/23/87/35/564238735.db2.gz MAZVMWKRRQQUMY-VIFPVBQESA-N 1 0 388.237 2.577 20 0 GFADRO OCCn1nccc1C1CC[NH+](CCOc2ccc(Br)cc2)CC1 ZINC000507680794 564239037 /nfs/dbraw/zinc/23/90/37/564239037.db2.gz ZLDGWQFPSOGCTF-UHFFFAOYSA-N 1 0 394.313 2.896 20 0 GFADRO CN1CC[NH+](CCCCNC(=O)[C@@H]2CCc3cc(Br)ccc32)CC1 ZINC000564571215 564239344 /nfs/dbraw/zinc/23/93/44/564239344.db2.gz FYNIKLNCAWQXTE-GOSISDBHSA-N 1 0 394.357 2.623 20 0 GFADRO CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+][C@H](CO)CC(F)(F)F)cc1 ZINC000540154391 564240664 /nfs/dbraw/zinc/24/06/64/564240664.db2.gz YRPAEDAHXAYLAR-OCCSQVGLSA-N 1 0 382.448 2.681 20 0 GFADRO COC(=O)[C@H](O)C1CC[NH+](CCCC(=O)c2ccc(Br)cc2)CC1 ZINC000450603909 564240764 /nfs/dbraw/zinc/24/07/64/564240764.db2.gz VAUHFEPRPVEQLG-QGZVFWFLSA-N 1 0 398.297 2.658 20 0 GFADRO CCOC(=O)CNC(=O)C1CC[NH+](CCc2c(Cl)cccc2Cl)CC1 ZINC000450599621 564240783 /nfs/dbraw/zinc/24/07/83/564240783.db2.gz SUOVQCABEZOFEL-UHFFFAOYSA-N 1 0 387.307 2.927 20 0 GFADRO CC(C)C[C@@H](Cc1cccc(Br)c1)C(=O)NC[C@H]1C[NH2+]CCN1C ZINC000564650775 564243954 /nfs/dbraw/zinc/24/39/54/564243954.db2.gz CUUXLMLZZATZDF-FUHWJXTLSA-N 1 0 396.373 2.674 20 0 GFADRO CS[C@@H](CNC(=O)C(=O)N(CC[NH+](C)C)Cc1cccs1)C(C)(C)C ZINC000564754884 564248212 /nfs/dbraw/zinc/24/82/12/564248212.db2.gz QZEUFCLYVGJYPC-HNNXBMFYSA-N 1 0 385.599 2.532 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)[C@H](C)NC(=O)c1ccc(Br)cc1 ZINC000473512514 564248919 /nfs/dbraw/zinc/24/89/19/564248919.db2.gz ZLCRLPPSFWTJAJ-BBRMVZONSA-N 1 0 396.329 2.510 20 0 GFADRO COC(=O)c1csc(CN2CC[C@H](C[N@H+](C)Cc3scnc3C)C2)n1 ZINC000450877909 564252245 /nfs/dbraw/zinc/25/22/45/564252245.db2.gz RISIOINMRAKMSC-CYBMUJFWSA-N 1 0 380.539 2.649 20 0 GFADRO COCC1(C[NH2+]CCS(=O)(=O)c2cccc(Br)c2)CCC1 ZINC000564869952 564253583 /nfs/dbraw/zinc/25/35/83/564253583.db2.gz NJMHWJCTMBZCFF-UHFFFAOYSA-N 1 0 376.316 2.629 20 0 GFADRO CNC(=O)C1CCC([NH2+]CCC(=O)Nc2cccc(Br)c2)CC1 ZINC000564871602 564253812 /nfs/dbraw/zinc/25/38/12/564253812.db2.gz DOSKCLVCCUSXAF-UHFFFAOYSA-N 1 0 382.302 2.672 20 0 GFADRO Cc1ccc(Br)cc1CC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C ZINC000450965327 564256808 /nfs/dbraw/zinc/25/68/08/564256808.db2.gz HGLHIMZGYMRGGZ-CQSZACIVSA-N 1 0 383.330 2.604 20 0 GFADRO Cc1ccc(Br)cc1CC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C ZINC000450965325 564257215 /nfs/dbraw/zinc/25/72/15/564257215.db2.gz HGLHIMZGYMRGGZ-AWEZNQCLSA-N 1 0 383.330 2.604 20 0 GFADRO C[C@H](NC(=O)[C@@](C)([NH3+])c1ccc(Br)cc1)[C@@H](O)Cc1ccccc1 ZINC000564934361 564258090 /nfs/dbraw/zinc/25/80/90/564258090.db2.gz KRAGEMGFRPEEJG-IXDGSTSKSA-N 1 0 391.309 2.731 20 0 GFADRO CS[C@@H]1CN(S(=O)(=O)c2ccc(Cl)c(F)c2Cl)C[C@H]1[NH+](C)C ZINC000473935597 564258864 /nfs/dbraw/zinc/25/88/64/564258864.db2.gz BRRZRJUBRQWGSS-NXEZZACHSA-N 1 0 387.329 2.799 20 0 GFADRO Cn1ccnc1Sc1ncc(C(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)cc1Cl ZINC000564955736 564259172 /nfs/dbraw/zinc/25/91/72/564259172.db2.gz XUSHFAQFFIMRNB-WCQYABFASA-N 1 0 379.917 2.867 20 0 GFADRO O=S(=O)(c1csc(-c2ccc(Cl)cc2)n1)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000564967067 564259730 /nfs/dbraw/zinc/25/97/30/564259730.db2.gz QVHSPZQXBKMHBL-QWHCGFSZSA-N 1 0 383.926 2.694 20 0 GFADRO CO[C@H]1CCN(CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)[C@H](C[NH3+])C1 ZINC000564987801 564260648 /nfs/dbraw/zinc/26/06/48/564260648.db2.gz PUALHBHBQPJRFI-RYUDHWBXSA-N 1 0 379.810 2.735 20 0 GFADRO C[C@H](NC(=O)c1ncn([C@H]2CCC[NH2+]C2)n1)c1ccc(Br)s1 ZINC000564992327 564261262 /nfs/dbraw/zinc/26/12/62/564261262.db2.gz LDQGHCKIDWXMBD-UWVGGRQHSA-N 1 0 384.303 2.518 20 0 GFADRO OC[C@@H](CC1CCCC1)[NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000564978485 564261336 /nfs/dbraw/zinc/26/13/36/564261336.db2.gz NEIVCWDMSAHPMG-HZPDHXFCSA-N 1 0 390.293 2.859 20 0 GFADRO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)Nc1c(-c2ccc(Br)cc2)ncn1C ZINC000508396679 564262716 /nfs/dbraw/zinc/26/27/16/564262716.db2.gz ILRRMCHAJYAQGP-BXUZGUMPSA-N 1 0 377.286 2.986 20 0 GFADRO COC[C@@H](Cc1ccccc1)[N@H+](C)Cc1cc(Cl)cc(S(N)(=O)=O)c1 ZINC000565045265 564263526 /nfs/dbraw/zinc/26/35/26/564263526.db2.gz ZFERIGILHNWRQO-QGZVFWFLSA-N 1 0 382.913 2.677 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)CNC(=O)c2ccc(Br)cc2)C[C@H]1C ZINC000474114641 564266044 /nfs/dbraw/zinc/26/60/44/564266044.db2.gz QRQMHWDPYKAWCU-CZUORRHYSA-N 1 0 396.329 2.510 20 0 GFADRO CC[NH+](CC)CCO[C@@H]1CCN(S(=O)(=O)c2cccc(Cl)c2F)C1 ZINC000474168733 564268313 /nfs/dbraw/zinc/26/83/13/564268313.db2.gz IOGSEBHBHUZSPU-CYBMUJFWSA-N 1 0 378.897 2.601 20 0 GFADRO Cc1cc(C)c(Br)c(C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@H]2C)c1 ZINC000474212560 564270266 /nfs/dbraw/zinc/27/02/66/564270266.db2.gz DJOKJKNEDOUOSI-CQSZACIVSA-N 1 0 383.330 2.983 20 0 GFADRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)NCCOc1ncc(Cl)cc1Cl ZINC000474245775 564271325 /nfs/dbraw/zinc/27/13/25/564271325.db2.gz MVVZWCSWTZCMLG-CYBMUJFWSA-N 1 0 375.300 2.941 20 0 GFADRO C[C@H]1CN(C[C@@H](O)COc2cccc(Br)c2)CC[N@@H+](C2CC2)C1 ZINC000451081466 564271891 /nfs/dbraw/zinc/27/18/91/564271891.db2.gz MMWSWUBXFMRAHC-WMLDXEAASA-N 1 0 383.330 2.605 20 0 GFADRO O=C(NCC[N@@H+]1CCCOCC1)c1ccccc1SCc1cscn1 ZINC000474300477 564273590 /nfs/dbraw/zinc/27/35/90/564273590.db2.gz BOBGLQDDALNNLY-UHFFFAOYSA-N 1 0 377.535 2.888 20 0 GFADRO O=C(CN1CC[NH2+]C[C@H]1C(F)F)Nc1ccc(Br)cc1Cl ZINC000565302885 564274988 /nfs/dbraw/zinc/27/49/88/564274988.db2.gz HBOIZGAZNLEGOB-NSHDSACASA-N 1 0 382.636 2.580 20 0 GFADRO CCOC(=O)C[C@@H](C)[N@H+](C)CC(=O)NCCc1cccc(Cl)c1Cl ZINC000541330305 564275376 /nfs/dbraw/zinc/27/53/76/564275376.db2.gz NQGNFKXWBPLYOL-GFCCVEGCSA-N 1 0 375.296 2.926 20 0 GFADRO CN(C)S(=O)(=O)CC[NH2+][C@@H](c1ccc(Br)cc1)C1CCC1 ZINC000509022672 564278677 /nfs/dbraw/zinc/27/86/77/564278677.db2.gz RFCMJOMFXMHALS-OAHLLOKOSA-N 1 0 375.332 2.771 20 0 GFADRO COc1cc(C(F)(F)F)cc(S(=O)(=O)NCCC2CC[NH+](C)CC2)c1 ZINC000451149783 564279987 /nfs/dbraw/zinc/27/99/87/564279987.db2.gz QJOYYRZFLANSOI-UHFFFAOYSA-N 1 0 380.432 2.724 20 0 GFADRO O=C(NCCC[NH2+]C1CC1)c1nn(-c2ccc(F)cc2)cc1Br ZINC000565483194 564282779 /nfs/dbraw/zinc/28/27/79/564282779.db2.gz SLAYEQMYEFHVCN-UHFFFAOYSA-N 1 0 381.249 2.646 20 0 GFADRO C[C@@H]1CC[NH2+][C@H](C(=O)NC2CCN(Cc3ccc(Br)cc3)CC2)C1 ZINC000565545680 564285610 /nfs/dbraw/zinc/28/56/10/564285610.db2.gz WXBYMFPCOUPDRC-KDOFPFPSSA-N 1 0 394.357 2.918 20 0 GFADRO C[C@H](C(=O)N(C)C)[N@@H+]1CC[C@H](Cc2cccc(I)c2)C1 ZINC000451197023 564286513 /nfs/dbraw/zinc/28/65/13/564286513.db2.gz XSERJNDZMISBDI-TZMCWYRMSA-N 1 0 386.277 2.632 20 0 GFADRO Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@@H]2[NH2+]CCN2CCSCC2)cc1 ZINC000541734317 564286913 /nfs/dbraw/zinc/28/69/13/564286913.db2.gz LYPLEKSRRUITOU-RBUKOAKNSA-N 1 0 382.595 2.718 20 0 GFADRO O=C(NCC[N@H+]1CC=CCC1)N[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000474753585 564288592 /nfs/dbraw/zinc/28/85/92/564288592.db2.gz RLMNGTPNBGQBCB-MRXNPFEDSA-N 1 0 393.329 2.589 20 0 GFADRO O[C@@H](C[NH2+]Cc1ccc(OC(F)(F)F)c(Br)c1)[C@@H]1CCOC1 ZINC000474801147 564290344 /nfs/dbraw/zinc/29/03/44/564290344.db2.gz KHQIWCXEIFNBMJ-PWSUYJOCSA-N 1 0 384.192 2.835 20 0 GFADRO C[C@@H](CCc1ccc(I)cc1)[NH2+][C@@H]1CCC(=O)N(C)C1 ZINC000474815526 564290500 /nfs/dbraw/zinc/29/05/00/564290500.db2.gz ZEDVZMLSMLEPSB-SWLSCSKDSA-N 1 0 386.277 2.823 20 0 GFADRO CSc1nc(C(=O)N2C[C@@H](SC)[C@@H]([NH+]3CCCC3)C2)c2ccccn21 ZINC000541842757 564291770 /nfs/dbraw/zinc/29/17/70/564291770.db2.gz KSHCBDBLGJPCON-LSDHHAIUSA-N 1 0 376.551 2.708 20 0 GFADRO O=C(COc1c(Cl)cc(Cl)cc1Cl)NC[C@]1(O)C[NH+]2CCC1CC2 ZINC000565726454 564292598 /nfs/dbraw/zinc/29/25/98/564292598.db2.gz OETQXQFTSZCLAR-INIZCTEOSA-N 1 0 393.698 2.599 20 0 GFADRO Cc1[nH]c(=O)sc1S(=O)(=O)NCC[NH2+][C@@H](C)[C@@H](C)C1CCCCC1 ZINC000474939817 564294578 /nfs/dbraw/zinc/29/45/78/564294578.db2.gz BRAQKLWPPRADLL-NEPJUHHUSA-N 1 0 375.560 2.630 20 0 GFADRO CN(C)C(=O)N1CCC([NH2+][C@@H](CCO)c2ccccc2Br)CC1 ZINC000541916423 564294828 /nfs/dbraw/zinc/29/48/28/564294828.db2.gz ROILHCBVVUWYTC-INIZCTEOSA-N 1 0 384.318 2.608 20 0 GFADRO CC[NH+](CC)[C@H]1CCN(S(=O)(=O)Cc2ccc(Br)c(F)c2)C1 ZINC000451281226 564296013 /nfs/dbraw/zinc/29/60/13/564296013.db2.gz JGUVWSJITDLCLW-ZDUSSCGKSA-N 1 0 393.322 2.834 20 0 GFADRO OCC[C@@H]([NH2+]C[C@@H](O)COCc1ccco1)c1ccccc1Br ZINC000541951719 564296269 /nfs/dbraw/zinc/29/62/69/564296269.db2.gz JCRZIYHHTKRYAT-CXAGYDPISA-N 1 0 384.270 2.633 20 0 GFADRO O=C1C[C@@H]([NH2+]CC2=Cc3cc(Br)ccc3OC2)[C@@H]2CCCCN12 ZINC000509414618 564297329 /nfs/dbraw/zinc/29/73/29/564297329.db2.gz HETBJZPUJTWRCS-CVEARBPZSA-N 1 0 377.282 2.968 20 0 GFADRO Cn1cc(CN2C[C@@H](F)C[C@H]2C[NH2+]Cc2cc(O)ccc2Br)cn1 ZINC000475051969 564298333 /nfs/dbraw/zinc/29/83/33/564298333.db2.gz HZUGBBPQPRZDFG-GJZGRUSLSA-N 1 0 397.292 2.590 20 0 GFADRO COC[C@]1(C(=O)OC)CC[N@H+](CCC(=O)Nc2c(Cl)cccc2Cl)C1 ZINC000451336057 564301929 /nfs/dbraw/zinc/30/19/29/564301929.db2.gz ORAKRJPZKPMDLW-KRWDZBQOSA-N 1 0 389.279 2.834 20 0 GFADRO CCC[NH+]1CCC(CNC(=O)c2cn3ccc(Br)cc3n2)CC1 ZINC000509515049 564301960 /nfs/dbraw/zinc/30/19/60/564301960.db2.gz CBEFVANYAVIUHK-UHFFFAOYSA-N 1 0 379.302 2.949 20 0 GFADRO O=C(NCC[C@H]1CC[NH2+]C1)N1CCO[C@@H](c2cccc(Br)c2)C1 ZINC000565941271 564303660 /nfs/dbraw/zinc/30/36/60/564303660.db2.gz XMXNXZAJJHSZFB-CZUORRHYSA-N 1 0 382.302 2.532 20 0 GFADRO Cc1nn2c(C[NH2+]CCCCn3cc(Br)cn3)c(C)nc2s1 ZINC000475225334 564303700 /nfs/dbraw/zinc/30/37/00/564303700.db2.gz SGAGSEXISMAXMJ-UHFFFAOYSA-N 1 0 383.319 2.937 20 0 GFADRO CC[C@@H](C)[NH2+][C@H](CNC(=O)NCCn1cc(Br)cn1)c1ccco1 ZINC000509596823 564305016 /nfs/dbraw/zinc/30/50/16/564305016.db2.gz UYXHHXMOFIQBAB-TZMCWYRMSA-N 1 0 398.305 2.667 20 0 GFADRO C[C@H]1C[N@H+](C)[C@@H](C)CN1C(=O)C1CCN(C(=O)c2ccc(Cl)s2)CC1 ZINC000509651477 564308148 /nfs/dbraw/zinc/30/81/48/564308148.db2.gz KRHKNVZNKQSDKG-STQMWFEESA-N 1 0 383.945 2.805 20 0 GFADRO [NH3+][C@H]1CCc2ncc(NC(=O)[C@H]3COc4ccc(Br)cc43)cc2C1 ZINC000566100791 564309546 /nfs/dbraw/zinc/30/95/46/564309546.db2.gz SBNNRSYRQLDDOP-WFASDCNBSA-N 1 0 388.265 2.775 20 0 GFADRO O[C@H](COc1cccc(Br)c1)C[N@@H+]1CCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000451410723 564311326 /nfs/dbraw/zinc/31/13/26/564311326.db2.gz CWDFXMRIROJBGJ-HPBDAGMYSA-N 1 0 384.314 2.814 20 0 GFADRO Cc1ccc(Cl)c(OC[C@@H](O)C[NH2+]CCn2cc(Br)cn2)c1 ZINC000566128799 564312096 /nfs/dbraw/zinc/31/20/96/564312096.db2.gz LDQQHVXGSFAMNH-ZDUSSCGKSA-N 1 0 388.693 2.637 20 0 GFADRO CC[N@H+](CCNS(=O)(=O)Cc1ccc(Br)c(F)c1)C(C)C ZINC000451428104 564312281 /nfs/dbraw/zinc/31/22/81/564312281.db2.gz KBMKULFWXSDZLQ-UHFFFAOYSA-N 1 0 381.311 2.738 20 0 GFADRO O=C([C@H]1C[N@@H+]2CCN1CCC2)N1CCC[C@H]1c1ccc(Br)s1 ZINC000542458855 564313321 /nfs/dbraw/zinc/31/33/21/564313321.db2.gz QMNJLQOMOINLPX-QWHCGFSZSA-N 1 0 384.343 2.564 20 0 GFADRO O=C([C@@H]1C[N@@H+]2CCN1CCC2)N1CCC[C@@H]1c1ccc(Br)s1 ZINC000542458854 564313511 /nfs/dbraw/zinc/31/35/11/564313511.db2.gz QMNJLQOMOINLPX-OLZOCXBDSA-N 1 0 384.343 2.564 20 0 GFADRO CCOCCOc1ccc(Br)cc1N[C@@H]1CC[N@H+](CCOC)C1 ZINC000542486319 564315443 /nfs/dbraw/zinc/31/54/43/564315443.db2.gz ZJWCPFWFJXATER-OAHLLOKOSA-N 1 0 387.318 2.997 20 0 GFADRO CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCc1nc(-c2cccc(Br)c2)no1 ZINC000566194640 564315966 /nfs/dbraw/zinc/31/59/66/564315966.db2.gz DLHUKHWMZGGMDD-OLZOCXBDSA-N 1 0 379.258 2.503 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000566204612 564316229 /nfs/dbraw/zinc/31/62/29/564316229.db2.gz TXSUAVNHZMFEHN-CQSZACIVSA-N 1 0 377.286 2.815 20 0 GFADRO Cc1cc([C@@H](C)[NH2+]CC(=O)N(CC(C)C)[C@H]2CCS(=O)(=O)C2)c(C)s1 ZINC000542509444 564316253 /nfs/dbraw/zinc/31/62/53/564316253.db2.gz BIROKZONAPMKFC-ZBFHGGJFSA-N 1 0 386.583 2.687 20 0 GFADRO CCOC(=O)Cc1csc(NC(=O)C[N@H+](C)[C@H]2CC[C@@H](SCC)C2)n1 ZINC000542515714 564317475 /nfs/dbraw/zinc/31/74/75/564317475.db2.gz XCLQNEDOMWLMHX-UONOGXRCSA-N 1 0 385.555 2.793 20 0 GFADRO O=S(=O)(c1ccc(C(F)(F)F)c(F)c1)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000566224052 564317542 /nfs/dbraw/zinc/31/75/42/564317542.db2.gz FUHJSGHRXSEAKE-RYUDHWBXSA-N 1 0 380.407 2.855 20 0 GFADRO OC[C@H](C[NH2+]C[C@H](O)Cc1ccc(F)cc1)Cc1ccccc1Br ZINC000566231160 564318390 /nfs/dbraw/zinc/31/83/90/564318390.db2.gz LQCRWMOFCBSSJC-MAUKXSAKSA-N 1 0 396.300 2.932 20 0 GFADRO Cc1cccc(S(=O)(=O)N(C)CCC[NH+]2CCCC2)c1Br ZINC000542689966 564321264 /nfs/dbraw/zinc/32/12/64/564321264.db2.gz CWPZRPKPKHYDDN-UHFFFAOYSA-N 1 0 375.332 2.864 20 0 GFADRO Cc1ccc(Br)cc1S(=O)(=O)N(C)CCC[NH+]1CCCC1 ZINC000542696633 564321523 /nfs/dbraw/zinc/32/15/23/564321523.db2.gz WLRBRMLGXZJZRB-UHFFFAOYSA-N 1 0 375.332 2.864 20 0 GFADRO C[C@H](Sc1nnnn1CC[NH+](C)C)C(=O)Nc1ccc(Cl)cc1Cl ZINC000510101018 564325648 /nfs/dbraw/zinc/32/56/48/564325648.db2.gz NMRLSTYAKZKQBM-VIFPVBQESA-N 1 0 389.312 2.661 20 0 GFADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)c1cn(C)nc1-c1ccc(Cl)s1 ZINC000476018985 564326115 /nfs/dbraw/zinc/32/61/15/564326115.db2.gz GANBZWONKKSIJA-LBPRGKRZSA-N 1 0 382.917 2.643 20 0 GFADRO CO[C@@H]1CCN(CC(=O)Nc2cccc(I)c2)C[C@@H]1C ZINC000451569191 564326947 /nfs/dbraw/zinc/32/69/47/564326947.db2.gz OGEZURGZJVNNRH-SMDDNHRTSA-N 1 0 388.249 2.587 20 0 GFADRO C[C@H]1CCCC[C@H]1[NH+]1CCC(NCCNS(=O)(=O)c2cccs2)CC1 ZINC000542842719 564328862 /nfs/dbraw/zinc/32/88/62/564328862.db2.gz XITGXUGLXUSIHM-DOTOQJQBSA-N 1 0 385.599 2.659 20 0 GFADRO CCOC(=O)COc1c(Br)cc(C)cc1CN1CCC[N@H+](C)CC1 ZINC000542857521 564329749 /nfs/dbraw/zinc/32/97/49/564329749.db2.gz VSMBIBGPSWPRJV-UHFFFAOYSA-N 1 0 399.329 2.837 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)c1cn2ccc(Br)cc2n1 ZINC000510303805 564330217 /nfs/dbraw/zinc/33/02/17/564330217.db2.gz MLDSDNTWGCYNLJ-CYBMUJFWSA-N 1 0 377.286 2.844 20 0 GFADRO CCCC[N@H+](C)C[C@H](C)NC(=O)NCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000566527189 564330814 /nfs/dbraw/zinc/33/08/14/564330814.db2.gz SYLHAAQGMIQDBX-AWEZNQCLSA-N 1 0 389.949 2.533 20 0 GFADRO Cc1ncc(S(=O)(=O)NC[C@H](NCc2ccccc2)c2ccco2)s1 ZINC000510419817 564332823 /nfs/dbraw/zinc/33/28/23/564332823.db2.gz ARAQHCCYFOEXBM-HNNXBMFYSA-N 1 0 377.491 2.854 20 0 GFADRO COCC[N@@H+]1CC[C@@H](NC(=O)c2oc3c(cccc3Br)c2C)C1 ZINC000543011863 564335295 /nfs/dbraw/zinc/33/52/95/564335295.db2.gz RSRWPDWFCBEGFX-GFCCVEGCSA-N 1 0 381.270 2.954 20 0 GFADRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1S(=O)(=O)c1ccc(F)c(Br)c1 ZINC000510487153 564335631 /nfs/dbraw/zinc/33/56/31/564335631.db2.gz FIHRWMUTGVBKKK-NEPJUHHUSA-N 1 0 391.306 2.836 20 0 GFADRO COc1cc(Br)ccc1CCC[N@H+]1C[C@@H](C)N(CCO)[C@@H](C)C1 ZINC000451662475 564337322 /nfs/dbraw/zinc/33/73/22/564337322.db2.gz KGYOIGHUMWTLIZ-GASCZTMLSA-N 1 0 385.346 2.777 20 0 GFADRO CC[N@@H+]1CCC[C@@H](CNC(=O)NCc2nc3c(cccc3Br)[nH]2)C1 ZINC000566723485 564339947 /nfs/dbraw/zinc/33/99/47/564339947.db2.gz CQTCOJSODHIPMW-LBPRGKRZSA-N 1 0 394.317 2.857 20 0 GFADRO CC1CC[NH+](C[C@H](O)CNC(=O)c2cc(Cl)ccc2OC(F)F)CC1 ZINC000476467627 564340906 /nfs/dbraw/zinc/34/09/06/564340906.db2.gz NPXBZRXRFQKTNP-CYBMUJFWSA-N 1 0 376.831 2.764 20 0 GFADRO NC(=O)[C@@H](Cc1ccc(F)cc1)[NH2+]Cc1cc2c(c(Br)c1)OCO2 ZINC000543159823 564340993 /nfs/dbraw/zinc/34/09/93/564340993.db2.gz PUUZYZWHXAQRSZ-CQSZACIVSA-N 1 0 395.228 2.503 20 0 GFADRO C[NH+](C)Cc1ccc(CNS(=O)(=O)c2ccc3ncsc3c2)cc1F ZINC000476549647 564345314 /nfs/dbraw/zinc/34/53/14/564345314.db2.gz ZSCVZUWALKRPPH-UHFFFAOYSA-N 1 0 379.482 2.976 20 0 GFADRO C/C(=C\c1cccc(C(F)(F)F)c1)C[NH2+]CC1(O)CCS(=O)(=O)CC1 ZINC000566878572 564347453 /nfs/dbraw/zinc/34/74/53/564347453.db2.gz XAWCOVKOLLTMSL-UKTHLTGXSA-N 1 0 377.428 2.638 20 0 GFADRO O[C@H](C[NH2+]Cc1nccn1CC(F)(F)F)COCc1ccccc1Cl ZINC000566909546 564349131 /nfs/dbraw/zinc/34/91/31/564349131.db2.gz IXKKORIYJPQYPN-CYBMUJFWSA-N 1 0 377.794 2.766 20 0 GFADRO Cc1cccc(I)c1C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000476700593 564351956 /nfs/dbraw/zinc/35/19/56/564351956.db2.gz QGJPEAWEXYSZBX-BXUZGUMPSA-N 1 0 384.261 2.812 20 0 GFADRO CCOC[C@H]1CCC[C@H]1[NH2+]CCNS(=O)(=O)c1ccc(F)cc1Cl ZINC000510978036 564351996 /nfs/dbraw/zinc/35/19/96/564351996.db2.gz KPCYDIDXTCFWME-IUODEOHRSA-N 1 0 378.897 2.552 20 0 GFADRO C[NH+](C)CCOc1cnccc1CNC(=O)c1ccsc1Br ZINC000451798367 564353401 /nfs/dbraw/zinc/35/34/01/564353401.db2.gz LSDPCEWZJRMZPI-UHFFFAOYSA-N 1 0 384.299 2.776 20 0 GFADRO Cc1ccc(CCC(=O)N2CC[N@@H+](C[C@@H](C)O)C[C@@H]2C)c(Br)c1 ZINC000476851464 564355790 /nfs/dbraw/zinc/35/57/90/564355790.db2.gz LJVVBZXPYAOKME-LSDHHAIUSA-N 1 0 383.330 2.604 20 0 GFADRO Cc1cc(Br)cc(C)c1S(=O)(=O)NCC(C)(C)C[NH+](C)C ZINC000511196377 564361357 /nfs/dbraw/zinc/36/13/57/564361357.db2.gz AHOJOYUZAYXRDE-UHFFFAOYSA-N 1 0 377.348 2.932 20 0 GFADRO C[NH+](C)CCCC(C)(C)NS(=O)(=O)c1cc(Br)ccc1F ZINC000451893438 564363390 /nfs/dbraw/zinc/36/33/90/564363390.db2.gz QLXGWYGAUCCIEW-UHFFFAOYSA-N 1 0 381.311 2.987 20 0 GFADRO CC[N@@H+]1CCCN(C(=O)c2ccc(F)c(I)c2)CC1 ZINC000477123177 564365436 /nfs/dbraw/zinc/36/54/36/564365436.db2.gz CHEVENLXAPKRBC-UHFFFAOYSA-N 1 0 376.213 2.598 20 0 GFADRO N[C@](C(=O)NC1[C@@H]2CC[C@H]1CC([NH3+])C2)(c1cccc(Cl)c1)C(F)(F)F ZINC000567351469 564368111 /nfs/dbraw/zinc/36/81/11/564368111.db2.gz PCDVSVKKTBJSQK-FAJXMIEJSA-N 1 0 375.822 2.688 20 0 GFADRO O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)N1CCO[C@@]2(CCSC2)C1 ZINC000567380546 564368718 /nfs/dbraw/zinc/36/87/18/564368718.db2.gz DAEWPFZNPIJPMB-YJBOKZPZSA-N 1 0 381.567 2.803 20 0 GFADRO O[C@H](COc1ccc(Cl)cc1Br)C[N@@H+]1CCOCC2(CC2)C1 ZINC000543915062 564368891 /nfs/dbraw/zinc/36/88/91/564368891.db2.gz MKOIIGPEYUMOEN-ZDUSSCGKSA-N 1 0 390.705 2.955 20 0 GFADRO C[C@@H](CC[NH3+])NC(=O)c1cc(I)cc(C(F)(F)F)c1 ZINC000477265415 564371418 /nfs/dbraw/zinc/37/14/18/564371418.db2.gz KRPCFTREVCIXAP-ZETCQYMHSA-N 1 0 386.155 2.777 20 0 GFADRO COCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](Cc2cc(Br)cs2)C1 ZINC000511502287 564374262 /nfs/dbraw/zinc/37/42/62/564374262.db2.gz BVSHLYXIBGMDFT-NWDGAFQWSA-N 1 0 375.332 2.874 20 0 GFADRO COc1ccc(CNC(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)cc1Br ZINC000511561175 564375155 /nfs/dbraw/zinc/37/51/55/564375155.db2.gz OXDKRJLAKPEYEJ-LSDHHAIUSA-N 1 0 382.302 2.884 20 0 GFADRO CN(C)C(=O)NCC[N@H+](C)Cc1cc(Br)cc(Br)c1 ZINC000567546453 564376394 /nfs/dbraw/zinc/37/63/94/564376394.db2.gz PNKSJTDHBXICMJ-UHFFFAOYSA-N 1 0 393.123 2.915 20 0 GFADRO CSc1ccccc1C[N@H+](C)CCOc1ccc(S(N)(=O)=O)cc1F ZINC000451993392 564377601 /nfs/dbraw/zinc/37/76/01/564377601.db2.gz VKXVEXGRYHUKFW-UHFFFAOYSA-N 1 0 384.498 2.706 20 0 GFADRO CC(=O)NCC1CC[NH+](Cc2cnn(-c3ccc(Br)cc3)c2)CC1 ZINC000511667054 564379576 /nfs/dbraw/zinc/37/95/76/564379576.db2.gz NJXSHMYDGWSLFW-UHFFFAOYSA-N 1 0 391.313 2.983 20 0 GFADRO C[C@@H]1CCC(C)(C)[N@@H+]1CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000452007967 564380664 /nfs/dbraw/zinc/38/06/64/564380664.db2.gz ODXBJZICQJTIKY-GFCCVEGCSA-N 1 0 387.933 2.792 20 0 GFADRO Cc1ccc(F)c(C(=O)Nc2ccc(N3CC[NH2+]CC3)cn2)c1Br ZINC000567670194 564382064 /nfs/dbraw/zinc/38/20/64/564382064.db2.gz VSWPOGRVEQMXNG-UHFFFAOYSA-N 1 0 393.260 2.954 20 0 GFADRO CC(C)(CNCc1ncc(I)s1)C[NH+]1CCCC1 ZINC000511795002 564382532 /nfs/dbraw/zinc/38/25/32/564382532.db2.gz HGYPFYZOWQNQLM-UHFFFAOYSA-N 1 0 379.311 2.959 20 0 GFADRO C[C@H]1[C@H](NC(=O)C(=O)Nc2cc(Cl)cc(C(F)(F)F)c2)CCC[N@@H+]1C ZINC000477643276 564382990 /nfs/dbraw/zinc/38/29/90/564382990.db2.gz KMMABDBGQXKSLW-TVQRCGJNSA-N 1 0 377.794 2.896 20 0 GFADRO CCN1CCCC[C@H]1C[NH2+]CCS(=O)(=O)c1cccc(Br)c1 ZINC000567692573 564383473 /nfs/dbraw/zinc/38/34/73/564383473.db2.gz XMAVLIKUOQVGAY-HNNXBMFYSA-N 1 0 389.359 2.687 20 0 GFADRO O=C(c1ccccc1Cl)N1CCC([NH2+]C[C@H]2CCCCS2(=O)=O)CC1 ZINC000544369471 564383627 /nfs/dbraw/zinc/38/36/27/564383627.db2.gz VQMRPSYGHBXBGN-OAHLLOKOSA-N 1 0 384.929 2.502 20 0 GFADRO CN(C)C(=O)N[C@H]1CCC[N@H+](CCOc2cc(F)cc(Br)c2)C1 ZINC000452021242 564383908 /nfs/dbraw/zinc/38/39/08/564383908.db2.gz SRSAVCHFNAPLHN-AWEZNQCLSA-N 1 0 388.281 2.703 20 0 GFADRO CC[NH+]1CCC(CNC(=O)Nc2cnc3c(Br)cccn23)CC1 ZINC000567730933 564386061 /nfs/dbraw/zinc/38/60/61/564386061.db2.gz HOQQHGLXZYUCOW-UHFFFAOYSA-N 1 0 380.290 2.950 20 0 GFADRO Cc1c(Br)cccc1CN1CCN(C(=O)c2cnn(C)c2)[C@@H](C)C1 ZINC000452049217 564387160 /nfs/dbraw/zinc/38/71/60/564387160.db2.gz HWTNKMIXMWZFRH-ZDUSSCGKSA-N 1 0 391.313 2.838 20 0 GFADRO C[C@H]([NH2+]CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl)[C@H]1CCC[C@H](C)C1 ZINC000452059792 564387859 /nfs/dbraw/zinc/38/78/59/564387859.db2.gz KXMXXQQCPOGEJM-AVGNSLFASA-N 1 0 387.933 2.730 20 0 GFADRO C[C@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH2+]C[C@H](O)CN(C)C ZINC000512009009 564389256 /nfs/dbraw/zinc/38/92/56/564389256.db2.gz SBDLTRRVLJIIBI-PWSUYJOCSA-N 1 0 381.826 2.588 20 0 GFADRO [NH3+]C1CCC(OCC(=O)NCCCc2ccc(Br)cc2F)CC1 ZINC000567800387 564389379 /nfs/dbraw/zinc/38/93/79/564389379.db2.gz LVBLLJJLFAROML-UHFFFAOYSA-N 1 0 387.293 2.924 20 0 GFADRO CCCc1c(C(=O)N[C@H](C)[C@H](C)[NH3+])nnn1Cc1cccc(Br)c1 ZINC000567848440 564391648 /nfs/dbraw/zinc/39/16/48/564391648.db2.gz DACGWJCNDHMQOJ-NWDGAFQWSA-N 1 0 394.317 2.507 20 0 GFADRO O=C(c1cc2c(c(Br)c1)OCO2)N1CCC2(CC[NH2+]CC2)CC1 ZINC000477952764 564391742 /nfs/dbraw/zinc/39/17/42/564391742.db2.gz AXMKDUVGYCRCBI-UHFFFAOYSA-N 1 0 381.270 2.784 20 0 GFADRO C[C@H]1CCC[C@@](CNC(=O)C(=O)N(C)Cc2ccc(Cl)s2)([NH+](C)C)C1 ZINC000477983252 564392148 /nfs/dbraw/zinc/39/21/48/564392148.db2.gz AOQPEXOOABIKJN-SCLBCKFNSA-N 1 0 385.961 2.987 20 0 GFADRO COc1ccc(S(=O)(=O)N(C)[C@H]2CC[N@@H+](C(C)C)C2)c(Br)c1 ZINC000452109166 564393751 /nfs/dbraw/zinc/39/37/51/564393751.db2.gz XLDKDRQSEKRJQV-LBPRGKRZSA-N 1 0 391.331 2.561 20 0 GFADRO C[C@H]1CCCCC[N@@H+]1CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000512160499 564393978 /nfs/dbraw/zinc/39/39/78/564393978.db2.gz QITIWAAFHBFQSN-ZDUSSCGKSA-N 1 0 387.933 2.793 20 0 GFADRO C[N@@H+]1CC[C@H]2CCN(Cc3cn(-c4ccccc4Br)nn3)[C@@H]2C1 ZINC000567884031 564394586 /nfs/dbraw/zinc/39/45/86/564394586.db2.gz RJTXQTTWGRYBTB-SUMWQHHRSA-N 1 0 376.302 2.556 20 0 GFADRO CCO[C@@H]1COCC[C@H]1[NH2+]Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000544707395 564395765 /nfs/dbraw/zinc/39/57/65/564395765.db2.gz KQKOVRCLFJAYRI-IAGOWNOFSA-N 1 0 380.286 2.918 20 0 GFADRO C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)CNC(=O)c1sc2ccccc2c1Cl ZINC000567912482 564395899 /nfs/dbraw/zinc/39/58/99/564395899.db2.gz PQDRTEUMTBODNO-UVWXRNBGSA-N 1 0 379.913 2.787 20 0 GFADRO CCC[C@]1([NH2+]CCS(=O)(=O)c2ccc(Br)cc2)CCOC1 ZINC000512246797 564395902 /nfs/dbraw/zinc/39/59/02/564395902.db2.gz VCDHFAHHZJIBGW-HNNXBMFYSA-N 1 0 376.316 2.772 20 0 GFADRO C[N@H+](CCNC(=O)[C@@H](c1cc(Cl)cc(Cl)c1)N1CCOCC1)C1CC1 ZINC000512258739 564396086 /nfs/dbraw/zinc/39/60/86/564396086.db2.gz OVROOPNVOFPTIU-QGZVFWFLSA-N 1 0 386.323 2.577 20 0 GFADRO CC[NH+](CC)CCNC(=O)[C@@H](c1cc(Cl)cc(Cl)c1)N1CCOCC1 ZINC000512283506 564396834 /nfs/dbraw/zinc/39/68/34/564396834.db2.gz ZNRNUZAFJWTHCJ-QGZVFWFLSA-N 1 0 388.339 2.825 20 0 GFADRO C[C@H](Cc1ccc(Br)cc1)C(=O)N[C@@H](CO)C[NH+]1CCCCC1 ZINC000512394361 564399562 /nfs/dbraw/zinc/39/95/62/564399562.db2.gz CIMQQSYLLKHTEW-RHSMWYFYSA-N 1 0 383.330 2.591 20 0 GFADRO CCOCCOc1ccc(Br)cc1C[NH2+]CCc1ccn(C)n1 ZINC000544841106 564401148 /nfs/dbraw/zinc/40/11/48/564401148.db2.gz JDMNDYSMFHYBMH-UHFFFAOYSA-N 1 0 382.302 2.930 20 0 GFADRO COCCN(Cc1cc(Br)cs1)C(=O)N[C@@H](C)C[NH+](C)C ZINC000512448140 564402036 /nfs/dbraw/zinc/40/20/36/564402036.db2.gz QHLQWFKUXHDEBF-NSHDSACASA-N 1 0 378.336 2.619 20 0 GFADRO CC(=O)N1CC[C@H]([NH2+]Cc2cc(Br)cc(Br)c2)C1 ZINC000568132009 564406299 /nfs/dbraw/zinc/40/62/99/564406299.db2.gz IFMOJCKEGCBQMF-ZDUSSCGKSA-N 1 0 376.092 2.922 20 0 GFADRO O=C(NC[C@H]1CCC[N@H+]1CCCO)c1cc2cc(Br)ccc2o1 ZINC000452347031 564406459 /nfs/dbraw/zinc/40/64/59/564406459.db2.gz HSIBTQZKQUVLCR-CQSZACIVSA-N 1 0 381.270 2.772 20 0 GFADRO COCC[N@@H+]1CCCN(C(=O)[C@H](C)Oc2ccc(C)cc2Br)CC1 ZINC000478557979 564407289 /nfs/dbraw/zinc/40/72/89/564407289.db2.gz IPORNMKBDZSMLH-HNNXBMFYSA-N 1 0 399.329 2.706 20 0 GFADRO C[C@H](Oc1cccc(Cl)c1Cl)C(=O)NC[C@H]1CCC[N@@H+]1CCCO ZINC000452356209 564407813 /nfs/dbraw/zinc/40/78/13/564407813.db2.gz ZVXHKZIOVZXHQJ-QWHCGFSZSA-N 1 0 375.296 2.724 20 0 GFADRO C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](Cc2cccc(I)c2)C1 ZINC000452370120 564409066 /nfs/dbraw/zinc/40/90/66/564409066.db2.gz OLKDOBZJMHONLL-HOCLYGCPSA-N 1 0 398.288 2.776 20 0 GFADRO C[C@H](C(=O)NC[C@@H]1CCC[N@@H+]1CCCO)c1ccc(Br)s1 ZINC000452362827 564409191 /nfs/dbraw/zinc/40/91/91/564409191.db2.gz LLDICGWXUYUIKN-RYUDHWBXSA-N 1 0 375.332 2.577 20 0 GFADRO O=C(N[C@@H]1CCC[N@@H+](CCCO)C1)c1cc2cc(Br)ccc2[nH]1 ZINC000452374831 564410189 /nfs/dbraw/zinc/41/01/89/564410189.db2.gz KYRGBKYGVJEUDY-CQSZACIVSA-N 1 0 380.286 2.507 20 0 GFADRO C[C@H](Oc1cccc(Cl)c1Cl)C(=O)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000452376742 564410427 /nfs/dbraw/zinc/41/04/27/564410427.db2.gz PGOYRQURLYVCPU-STQMWFEESA-N 1 0 375.296 2.724 20 0 GFADRO O=C(NC[C@H]1CCCC[N@H+]1CCO)c1nc2ccccc2cc1Br ZINC000452381187 564410933 /nfs/dbraw/zinc/41/09/33/564410933.db2.gz VISHQYMWNQCDLW-CQSZACIVSA-N 1 0 392.297 2.574 20 0 GFADRO O=C(NC[C@H]1CCCC[N@H+]1CCO)c1cc(Cl)c(Br)cc1F ZINC000452381477 564411385 /nfs/dbraw/zinc/41/13/85/564411385.db2.gz VXIXJPMAIKNQHR-SNVBAGLBSA-N 1 0 393.684 2.818 20 0 GFADRO COc1ccc2nc(C[NH2+]C[C@H]3CCCC[C@H]3NS(C)(=O)=O)sc2c1 ZINC000512855365 564413767 /nfs/dbraw/zinc/41/37/67/564413767.db2.gz GRMLNZBAEPJCRG-TZMCWYRMSA-N 1 0 383.539 2.503 20 0 GFADRO CS(=O)(=O)N[C@H]1CCCC[C@H]1C[NH2+]Cc1ccc(Br)cc1 ZINC000512869072 564414636 /nfs/dbraw/zinc/41/46/36/564414636.db2.gz MWAIBALGHBJRJV-ZFWWWQNUSA-N 1 0 375.332 2.647 20 0 GFADRO CS(=O)(=O)N[C@H]1CCCC[C@@H]1C[NH2+]Cc1ccc(Br)cc1 ZINC000512869070 564414799 /nfs/dbraw/zinc/41/47/99/564414799.db2.gz MWAIBALGHBJRJV-HIFRSBDPSA-N 1 0 375.332 2.647 20 0 GFADRO C[C@H](CC[NH3+])NC(=O)c1ccc(I)c(Br)c1 ZINC000568390011 564416344 /nfs/dbraw/zinc/41/63/44/564416344.db2.gz OHEDRKUCKXCVBV-SSDOTTSWSA-N 1 0 397.054 2.521 20 0 GFADRO CCOc1c(Cl)cc(C[NH2+]C[C@@H]2CCCCN2S(C)(=O)=O)cc1OC ZINC000512987634 564416731 /nfs/dbraw/zinc/41/67/31/564416731.db2.gz BTHHPPTYBWQVGC-AWEZNQCLSA-N 1 0 390.933 2.651 20 0 GFADRO Fc1ccc(Br)cc1C[NH2+]C[C@H](N1CCOCC1)C(F)(F)F ZINC000512977324 564416850 /nfs/dbraw/zinc/41/68/50/564416850.db2.gz KBGNVIAYKIUHBC-ZDUSSCGKSA-N 1 0 385.199 2.941 20 0 GFADRO Cc1cc(Br)cn2cc(CC[NH2+]Cc3cccc(C(N)=O)c3)nc12 ZINC000545349888 564417942 /nfs/dbraw/zinc/41/79/42/564417942.db2.gz YAVNAFAGDHJGIE-UHFFFAOYSA-N 1 0 387.281 2.836 20 0 GFADRO COc1c(Cl)cc(Cl)cc1C[NH2+]C[C@@H]1CCCCN1S(C)(=O)=O ZINC000513038415 564419013 /nfs/dbraw/zinc/41/90/13/564419013.db2.gz XXZRUPFELQITPJ-ZDUSSCGKSA-N 1 0 381.325 2.906 20 0 GFADRO CCc1nnc(NC(=O)[C@H](C)[C@@H](C)[NH2+]Cc2ccc([S@@](C)=O)cc2)s1 ZINC000513096501 564419898 /nfs/dbraw/zinc/41/98/98/564419898.db2.gz VGFIOCKLLFUKGD-GNDHETMUSA-N 1 0 380.539 2.591 20 0 GFADRO Cc1ccc(Br)c(S(=O)(=O)NCC[NH2+]C[C@H]2CC=CCC2)c1 ZINC000513106630 564420872 /nfs/dbraw/zinc/42/08/72/564420872.db2.gz OYITXSREOUHCGB-AWEZNQCLSA-N 1 0 387.343 2.982 20 0 GFADRO Cc1c2cc(Cl)ccc2sc1CNC(=O)C(=O)N(C)CCC[NH+](C)C ZINC000568565418 564423824 /nfs/dbraw/zinc/42/38/24/564423824.db2.gz UUSYXONRLINTDI-UHFFFAOYSA-N 1 0 381.929 2.889 20 0 GFADRO C[C@@H]([NH2+]CCOc1ccc(S(C)(=O)=O)cc1)c1ccc(Br)cn1 ZINC000479071074 564424267 /nfs/dbraw/zinc/42/42/67/564424267.db2.gz SHSIJRJRGCVVQN-GFCCVEGCSA-N 1 0 399.310 2.977 20 0 GFADRO C[C@H]([NH2+]C[C@H]1CCC[C@H](O)C1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000479064760 564424380 /nfs/dbraw/zinc/42/43/80/564424380.db2.gz QYCKLDBOXNAIKU-DCAQKATOSA-N 1 0 381.325 2.843 20 0 GFADRO CNC(=O)CC[C@H]1CCCC[N@@H+]1C[C@H](O)COc1ccc(Br)cc1 ZINC000513211333 564425028 /nfs/dbraw/zinc/42/50/28/564425028.db2.gz WLYRUTVNDFGQNT-CVEARBPZSA-N 1 0 399.329 2.570 20 0 GFADRO NC(=O)[C@H]1CCCN1CCC[NH2+][C@@H](c1ccc(Br)cc1F)C1CC1 ZINC000479081625 564425266 /nfs/dbraw/zinc/42/52/66/564425266.db2.gz ROJPUDNEEIKTHK-IAGOWNOFSA-N 1 0 398.320 2.969 20 0 GFADRO Cn1ccc([C@H](NC(=O)C[N@H+](C)[C@@H]2CCSC2)c2ccc(Cl)cc2)n1 ZINC000545850096 564433348 /nfs/dbraw/zinc/43/33/48/564433348.db2.gz IGRGWMPVQWCLIM-CRAIPNDOSA-N 1 0 378.929 2.716 20 0 GFADRO Cc1cc(NC(=O)CNC(=O)C[C@@H]2CCCC[C@@H]2[NH3+])ccc1Br ZINC000568745281 564433461 /nfs/dbraw/zinc/43/34/61/564433461.db2.gz UZJGMQQKQRKDRY-WFASDCNBSA-N 1 0 382.302 2.720 20 0 GFADRO Ic1cccc2ncnc(N[C@@H]3CC[N@@H+](C4CC4)C3)c12 ZINC000545867136 564434323 /nfs/dbraw/zinc/43/43/23/564434323.db2.gz LWQHZRIIFPGGIJ-SNVBAGLBSA-N 1 0 380.233 2.883 20 0 GFADRO COCC[N@@H+]1CCCN(c2ncnc3cc(F)c(Br)cc32)CC1 ZINC000545872297 564435253 /nfs/dbraw/zinc/43/52/53/564435253.db2.gz FHKZOJAAIXNRIM-UHFFFAOYSA-N 1 0 383.265 2.690 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000479311129 564435669 /nfs/dbraw/zinc/43/56/69/564435669.db2.gz FSVMZRWPNMQGMF-CABCVRRESA-N 1 0 394.313 2.693 20 0 GFADRO Cc1nc(SCCC(=O)NC[C@H](C[NH+](C)C)c2ccc(Cl)cc2)n[nH]1 ZINC000568889958 564439818 /nfs/dbraw/zinc/43/98/18/564439818.db2.gz PNDJHZUDGJJHET-CQSZACIVSA-N 1 0 381.933 2.710 20 0 GFADRO CNS(=O)(=O)CC[NH2+][C@H]1C[C@H](C)CCc2ccc(Br)cc21 ZINC000479455740 564440627 /nfs/dbraw/zinc/44/06/27/564440627.db2.gz ONWVHKIWICIRNT-ABAIWWIYSA-N 1 0 375.332 2.601 20 0 GFADRO CC1(C)[NH2+]CC[C@H]1NC(=O)Nc1nnc(-c2cccc(Br)c2)s1 ZINC000568972246 564443485 /nfs/dbraw/zinc/44/34/85/564443485.db2.gz PRRZOHHHQMDCES-LLVKDONJSA-N 1 0 396.314 3.230 20 0 GFADRO CS(=O)(=O)N1CC[C@H](C[N@H+](Cc2ccc(C(F)(F)F)cc2)C2CC2)C1 ZINC000513965366 564443555 /nfs/dbraw/zinc/44/35/55/564443555.db2.gz XQUPHQKIIAYQBD-CQSZACIVSA-N 1 0 376.444 2.951 20 0 GFADRO C[C@@H]([NH2+][C@@H](C)CN1CCOCC1)c1ccc(F)c(I)c1 ZINC000453061329 564445534 /nfs/dbraw/zinc/44/55/34/564445534.db2.gz OXKOIBWEXISZOC-NWDGAFQWSA-N 1 0 392.256 2.802 20 0 GFADRO C[C@@H](C[NH2+][C@@H](C)c1ccc(F)c(I)c1)N1CCOCC1 ZINC000453061077 564445614 /nfs/dbraw/zinc/44/56/14/564445614.db2.gz CTPJEFBCVVELAY-RYUDHWBXSA-N 1 0 392.256 2.802 20 0 GFADRO CC[C@@H]([NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1)c1ccccc1Br ZINC000514141560 564446691 /nfs/dbraw/zinc/44/66/91/564446691.db2.gz HBNMTDCJCHTGCE-SWLSCSKDSA-N 1 0 375.332 2.771 20 0 GFADRO C[C@@H]([NH2+]C[C@@H](O)COCC1CC1)c1ccc(F)c(I)c1 ZINC000453092905 564447289 /nfs/dbraw/zinc/44/72/89/564447289.db2.gz SOEKFFGADIDSGM-ZWNOBZJWSA-N 1 0 393.240 2.868 20 0 GFADRO CN(C)S(=O)(=O)CCCNc1cc(Cl)ccc1OC1CC[NH+](C)CC1 ZINC000453136390 564447819 /nfs/dbraw/zinc/44/78/19/564447819.db2.gz BNZANDOJPZBDIJ-UHFFFAOYSA-N 1 0 389.949 2.506 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)NCCN1CCc2sccc2C1)c1ccsc1 ZINC000514229569 564447923 /nfs/dbraw/zinc/44/79/23/564447923.db2.gz SAIMUJSPKDWOIU-INIZCTEOSA-N 1 0 378.567 2.770 20 0 GFADRO COC1([C@@H](C)[NH2+]C[C@H](CO)Cc2ccc(Br)cc2)CCOCC1 ZINC000453213299 564449639 /nfs/dbraw/zinc/44/96/39/564449639.db2.gz OSEGOQMKDIOOCV-GDBMZVCRSA-N 1 0 386.330 2.774 20 0 GFADRO COC1([C@H](C)[NH2+]C[C@H](CO)Cc2ccc(Br)cc2)CCOCC1 ZINC000453213300 564449849 /nfs/dbraw/zinc/44/98/49/564449849.db2.gz OSEGOQMKDIOOCV-GOEBONIOSA-N 1 0 386.330 2.774 20 0 GFADRO CCN(C)C(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(F)c(I)c1 ZINC000453224801 564450201 /nfs/dbraw/zinc/45/02/01/564450201.db2.gz XBGNMUHVQRQFRN-UWVGGRQHSA-N 1 0 378.229 2.948 20 0 GFADRO C[C@H]([NH2+]CCn1cc(Br)ccc1=O)c1ccc([S@](C)=O)cc1 ZINC000453252883 564450328 /nfs/dbraw/zinc/45/03/28/564450328.db2.gz OOHJWVGKUJJEOG-YTEVENLXSA-N 1 0 383.311 2.699 20 0 GFADRO CN(C)S(=O)(=O)CC[NH2+][C@@H]1CCCCc2ccc(Br)cc21 ZINC000453256912 564450409 /nfs/dbraw/zinc/45/04/09/564450409.db2.gz RVURZCIJQPZRNL-OAHLLOKOSA-N 1 0 375.332 2.698 20 0 GFADRO CC[N@H+](CCC1CC1)CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000546227516 564450300 /nfs/dbraw/zinc/45/03/00/564450300.db2.gz ZOIAQFMWFMTBLH-UHFFFAOYSA-N 1 0 387.933 2.651 20 0 GFADRO COC[C@@](C)(O)CC[NH2+][C@H](c1ccc(Br)cc1)c1cncnc1 ZINC000453248819 564450521 /nfs/dbraw/zinc/45/05/21/564450521.db2.gz FTTSEMQTUSMLJS-SJORKVTESA-N 1 0 380.286 2.706 20 0 GFADRO [NH3+]CCN(CCc1ccccc1)S(=O)(=O)c1ccc(C(F)(F)F)s1 ZINC000514603188 564450597 /nfs/dbraw/zinc/45/05/97/564450597.db2.gz KPFVONHMEDEAPC-UHFFFAOYSA-N 1 0 378.441 2.959 20 0 GFADRO C[C@@H]([NH2+][C@H]1CCCN(CCCO)C1)c1ccccc1I ZINC000453267243 564451094 /nfs/dbraw/zinc/45/10/94/564451094.db2.gz OZEJYHROVVIFQZ-KGLIPLIRSA-N 1 0 388.293 2.789 20 0 GFADRO COc1ncc(C[NH2+][C@H]2CCCc3cc(S(N)(=O)=O)ccc32)cc1Cl ZINC000453288550 564452174 /nfs/dbraw/zinc/45/21/74/564452174.db2.gz KBPFETPHHCDMDB-INIZCTEOSA-N 1 0 381.885 2.558 20 0 GFADRO O=S1(=O)CCC(O)(C[NH2+][C@H](c2ccccc2)c2cccc(Cl)c2)CC1 ZINC000569212621 564453625 /nfs/dbraw/zinc/45/36/25/564453625.db2.gz ABAPUKUSCFJZTL-GOSISDBHSA-N 1 0 379.909 2.959 20 0 GFADRO O=C(CS(=O)(=O)c1ccc(Cl)cc1)Nc1nc(C2CC[NH2+]CC2)cs1 ZINC000569228268 564454879 /nfs/dbraw/zinc/45/48/79/564454879.db2.gz FYZOMIMJJPKLIE-UHFFFAOYSA-N 1 0 399.925 2.676 20 0 GFADRO CC(C)C[NH+]1CCC(NC(=O)N[C@@H](C)c2ncc(Br)cn2)CC1 ZINC000514705243 564454856 /nfs/dbraw/zinc/45/48/56/564454856.db2.gz CSSAOOPVQVAVDY-LBPRGKRZSA-N 1 0 384.322 2.720 20 0 GFADRO CCN1C[C@H]([NH2+][C@H](C)c2ccc(F)c(I)c2)CC1=O ZINC000453366520 564455121 /nfs/dbraw/zinc/45/51/21/564455121.db2.gz RJEXXFCBIVGMPQ-MWLCHTKSSA-N 1 0 376.213 2.702 20 0 GFADRO C[C@@H]([NH2+]C[C@@H]1CCCC[C@H]1O)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000453369092 564455164 /nfs/dbraw/zinc/45/51/64/564455164.db2.gz NBJQCGUKUSAOKY-ISTVAULSSA-N 1 0 381.325 2.843 20 0 GFADRO C[C@H]([NH2+]CCn1cc(Br)cn1)[C@H](c1ccccc1)N1CCOCC1 ZINC000514744588 564455271 /nfs/dbraw/zinc/45/52/71/564455271.db2.gz FNVQDKQKROWQAB-MAUKXSAKSA-N 1 0 393.329 2.697 20 0 GFADRO C[C@H](NC(=O)c1ccc(Br)cc1)C(=O)NCC[N@@H+]1CCCC[C@H]1C ZINC000479957055 564456156 /nfs/dbraw/zinc/45/61/56/564456156.db2.gz CEHGJKXGODPWQQ-KGLIPLIRSA-N 1 0 396.329 2.558 20 0 GFADRO COc1ccc(C[C@H](CO)C[NH2+][C@H](C)c2ccncn2)cc1Br ZINC000453392101 564456307 /nfs/dbraw/zinc/45/63/07/564456307.db2.gz ZCGLBCJDVKYWFG-OCCSQVGLSA-N 1 0 380.286 2.750 20 0 GFADRO CC[C@H]1C[N@H+](C)CCCN1S(=O)(=O)c1ccc(Br)c(OC)c1 ZINC000569291665 564457420 /nfs/dbraw/zinc/45/74/20/564457420.db2.gz MXLLBXLTAKOSIV-LBPRGKRZSA-N 1 0 391.331 2.563 20 0 GFADRO C[C@@H](C(=O)N1CCC[C@@H](n2cc(C[NH3+])nn2)C1)c1ccc(Br)s1 ZINC000514787657 564457498 /nfs/dbraw/zinc/45/74/98/564457498.db2.gz ATOABZWCCWGMOF-ZYHUDNBSSA-N 1 0 398.330 2.528 20 0 GFADRO CC[C@@H](C)[NH+]1CCN(c2nnc(-c3cc(Br)cn3C)n2C)CC1 ZINC000453453518 564457506 /nfs/dbraw/zinc/45/75/06/564457506.db2.gz VYQCKMQYALWIND-GFCCVEGCSA-N 1 0 381.322 2.504 20 0 GFADRO Cc1cccc(Br)c1C(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000514831886 564458962 /nfs/dbraw/zinc/45/89/62/564458962.db2.gz DJTKRGIJTVJUER-UHFFFAOYSA-N 1 0 394.357 2.857 20 0 GFADRO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)Nc1cc(Cl)cc(Br)c1 ZINC000453615999 564460031 /nfs/dbraw/zinc/46/00/31/564460031.db2.gz WVBRWDQHUMXIQL-SNVBAGLBSA-N 1 0 390.709 2.888 20 0 GFADRO CCc1ncc(S(=O)(=O)N[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC000546598055 564461306 /nfs/dbraw/zinc/46/13/06/564461306.db2.gz IULQNIGMDPLBOT-GDBMZVCRSA-N 1 0 379.551 2.894 20 0 GFADRO O=S1(=O)CC[C@H]([NH2+]CCNc2ccccn2)c2cc(Br)ccc21 ZINC000480189926 564462510 /nfs/dbraw/zinc/46/25/10/564462510.db2.gz FCBNWAGVXFVQOG-AWEZNQCLSA-N 1 0 396.310 2.764 20 0 GFADRO Cc1n[nH]cc1CCC[NH2+][C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000480200982 564463107 /nfs/dbraw/zinc/46/31/07/564463107.db2.gz RBLYGYXZFGDJFD-HNNXBMFYSA-N 1 0 398.326 2.922 20 0 GFADRO Cc1ccc(F)c(Br)c1NC(=O)C(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000453677606 564464509 /nfs/dbraw/zinc/46/45/09/564464509.db2.gz PPHLTEJOURUHNR-QWRGUYRKSA-N 1 0 398.276 2.577 20 0 GFADRO CCC[N@H+](CC)CCNC(=O)C(=O)Nc1cc(Cl)cc(Br)c1 ZINC000453696376 564466403 /nfs/dbraw/zinc/46/64/03/564466403.db2.gz NBBICHYZKKPUQW-UHFFFAOYSA-N 1 0 390.709 2.889 20 0 GFADRO O=S1(=O)CC[C@H](N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c2cc(Br)ccc21 ZINC000480262295 564466806 /nfs/dbraw/zinc/46/68/06/564466806.db2.gz JREAKWNAVDZVQR-LZWOXQAQSA-N 1 0 399.354 2.884 20 0 GFADRO O=C(NC[C@H]1C[NH2+]CCO1)N1CCC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000515144754 564470779 /nfs/dbraw/zinc/47/07/79/564470779.db2.gz FBIZAYAAEQUBRA-ZIAGYGMSSA-N 1 0 388.295 2.535 20 0 GFADRO Cn1ncc2c1CCC[C@@H]2[NH2+]C[C@@H](O)COc1ccc(Br)cc1 ZINC000515166075 564470842 /nfs/dbraw/zinc/47/08/42/564470842.db2.gz XYKDBUHIGBHSIT-CJNGLKHVSA-N 1 0 380.286 2.590 20 0 GFADRO COCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](Cc2ccc(OC)cc2Br)C1 ZINC000569648940 564472311 /nfs/dbraw/zinc/47/23/11/564472311.db2.gz GEQIYGWHVHRMDO-UKRRQHHQSA-N 1 0 399.329 2.821 20 0 GFADRO O=S(=O)(CC[NH2+]CCC1CCN(CC(F)(F)F)CC1)c1ccccc1 ZINC000569686046 564474531 /nfs/dbraw/zinc/47/45/31/564474531.db2.gz GVXORNCDZBZWSW-UHFFFAOYSA-N 1 0 378.460 2.714 20 0 GFADRO C[C@@H]1CN(C(=O)Nc2ccc(Br)cc2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000480460539 564474603 /nfs/dbraw/zinc/47/46/03/564474603.db2.gz HOSCBQDRUXRPCM-RHSMWYFYSA-N 1 0 395.345 2.939 20 0 GFADRO C[C@H]1CN(C(=O)Nc2ccc(Br)cc2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000480460540 564474650 /nfs/dbraw/zinc/47/46/50/564474650.db2.gz HOSCBQDRUXRPCM-WMLDXEAASA-N 1 0 395.345 2.939 20 0 GFADRO COc1cccc(C[NH2+]C[C@@H](O)COc2cccc(Br)c2)c1OC ZINC000569711155 564474733 /nfs/dbraw/zinc/47/47/33/564474733.db2.gz PIZRMAFVDDWTAZ-OAHLLOKOSA-N 1 0 396.281 2.996 20 0 GFADRO CCC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)Cc2ccccc2Br)C1 ZINC000569703973 564475433 /nfs/dbraw/zinc/47/54/33/564475433.db2.gz FPDOEWMDORCFOL-AWEZNQCLSA-N 1 0 389.359 2.943 20 0 GFADRO C[C@@H](C(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1)c1ccc(Br)s1 ZINC000515382974 564477547 /nfs/dbraw/zinc/47/75/47/564477547.db2.gz JFDORLGWMFXQHB-HCKVZZMMSA-N 1 0 387.343 2.969 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]1C1CCN(Cc2cc(Br)c3c(c2)OCCO3)CC1 ZINC000569811225 564479226 /nfs/dbraw/zinc/47/92/26/564479226.db2.gz XNVYRCQPTGSIPO-WBVHZDCISA-N 1 0 397.313 2.549 20 0 GFADRO CC(=O)N1CCN(CC[NH2+][C@H](C)[C@H](C)Oc2ccc(Cl)cc2Cl)CC1 ZINC000480630488 564479830 /nfs/dbraw/zinc/47/98/30/564479830.db2.gz LXQNWKQNRDEANK-KGLIPLIRSA-N 1 0 388.339 2.903 20 0 GFADRO COc1ccc(S(=O)(=O)N2CCC([NH2+]C[C@@H](C)C(F)(F)F)CC2)cc1 ZINC000480660682 564480627 /nfs/dbraw/zinc/48/06/27/564480627.db2.gz GPDKOJJCSJKDHL-GFCCVEGCSA-N 1 0 380.432 2.636 20 0 GFADRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NCc1cc(Br)cc2c1OCC2 ZINC000547315248 564484459 /nfs/dbraw/zinc/48/44/59/564484459.db2.gz HEZKTUIUTXPNGF-BDJLRTHQSA-N 1 0 394.313 2.666 20 0 GFADRO [NH3+]C[C@H]1CC[C@H](NC(=O)Nc2ccc(I)cc2F)C1 ZINC000515673465 564485085 /nfs/dbraw/zinc/48/50/85/564485085.db2.gz ZPMABWDOYBHUPS-WPRPVWTQSA-N 1 0 377.201 2.679 20 0 GFADRO C[C@H]1CCC[N@H+](CCNS(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)C1 ZINC000515733944 564486497 /nfs/dbraw/zinc/48/64/97/564486497.db2.gz BBZGYDAOXFCZIB-NSHDSACASA-N 1 0 382.860 2.952 20 0 GFADRO CC(C)(CNS(=O)(=O)c1ccc(F)c(Br)c1)C[NH+]1CCCC1 ZINC000480755832 564486544 /nfs/dbraw/zinc/48/65/44/564486544.db2.gz NPEPQDPGJDSIJH-UHFFFAOYSA-N 1 0 393.322 2.989 20 0 GFADRO COc1ccc(S(=O)(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)c(Br)c1 ZINC000480760869 564487450 /nfs/dbraw/zinc/48/74/50/564487450.db2.gz BUEDNYLCRSPIEG-NWDGAFQWSA-N 1 0 391.331 2.609 20 0 GFADRO O=C(CNC(=O)[C@H]1CCC[NH2+]1)Nc1cccc(Cl)c1SCC(F)F ZINC000515847654 564488783 /nfs/dbraw/zinc/48/87/83/564488783.db2.gz CMABKQBOPYSIOP-LLVKDONJSA-N 1 0 377.844 2.504 20 0 GFADRO C[C@@H](CNC(=O)CNC(=O)c1ccc(Br)cc1)[N@@H+]1CCCC[C@@H]1C ZINC000547449612 564489219 /nfs/dbraw/zinc/48/92/19/564489219.db2.gz QBCDYGXOQWYQIZ-KBPBESRZSA-N 1 0 396.329 2.558 20 0 GFADRO CCCC[N@H+](C)C[C@@H](C)NS(=O)(=O)Cc1ccccc1Br ZINC000515921320 564489745 /nfs/dbraw/zinc/48/97/45/564489745.db2.gz BARZINAHQPUSCT-CYBMUJFWSA-N 1 0 377.348 2.989 20 0 GFADRO COC[C@@]1(CNC(=O)c2cc(Cl)cc(F)c2Br)CCC[NH2+]1 ZINC000570079334 564490331 /nfs/dbraw/zinc/49/03/31/564490331.db2.gz GULPRBCPKADXCV-AWEZNQCLSA-N 1 0 379.657 2.740 20 0 GFADRO C[N@@H+]1CC[C@H](C(=O)NCc2cc(Br)ccc2Br)C1 ZINC000547501137 564490916 /nfs/dbraw/zinc/49/09/16/564490916.db2.gz QMSKRVCXBKFJFE-VIFPVBQESA-N 1 0 376.092 2.780 20 0 GFADRO CC[NH+]1CCC(CNC(=O)Cc2noc3ccc(Br)cc32)CC1 ZINC000516049908 564492152 /nfs/dbraw/zinc/49/21/52/564492152.db2.gz CLSFLWSZIIDPCP-UHFFFAOYSA-N 1 0 380.286 2.981 20 0 GFADRO CN1C[C@H]([N@H+](C)Cc2ccc(I)c(Cl)c2)CCC1=O ZINC000516086348 564493121 /nfs/dbraw/zinc/49/31/21/564493121.db2.gz RPPHLCWJKWRCLC-LLVKDONJSA-N 1 0 392.668 2.997 20 0 GFADRO C[C@H](C(=O)Nc1cc(Br)ccc1N(C)CC[NH+](C)C)N1CC(C)C1 ZINC000516088043 564493163 /nfs/dbraw/zinc/49/31/63/564493163.db2.gz HTIHCECJLBNANC-CQSZACIVSA-N 1 0 397.361 2.726 20 0 GFADRO CO[C@@H](c1ccc(Br)cc1)[C@H](C)NC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000570188068 564495009 /nfs/dbraw/zinc/49/50/09/564495009.db2.gz YAXCIVLSOSEYJZ-RUAUBTSSSA-N 1 0 382.302 2.528 20 0 GFADRO COc1ccc([C@@H](C[NH+](C)C)NC(=O)c2cc[nH]c(=O)c2Br)cc1 ZINC000516199387 564495965 /nfs/dbraw/zinc/49/59/65/564495965.db2.gz CAPQLBFUVRLNBB-CQSZACIVSA-N 1 0 394.269 2.591 20 0 GFADRO Cc1cc(F)c(Br)cc1NC(=O)C(=O)N[C@@H](C)C[N@@H+](C)C(C)C ZINC000570209749 564496153 /nfs/dbraw/zinc/49/61/53/564496153.db2.gz QCWDIQVVHNLOJM-NSHDSACASA-N 1 0 388.281 2.680 20 0 GFADRO CC[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCN(C(=O)c2cc3sccc3s2)CC1 ZINC000570208307 564496175 /nfs/dbraw/zinc/49/61/75/564496175.db2.gz XJKAGCKOZKWTQW-OLZOCXBDSA-N 1 0 377.535 2.635 20 0 GFADRO COC(=O)c1cc(NC(=O)N2CCC[C@H](C[NH3+])C2)c(C)cc1Br ZINC000516259285 564497784 /nfs/dbraw/zinc/49/77/84/564497784.db2.gz BLUWQXUMDSGDEL-LLVKDONJSA-N 1 0 384.274 2.747 20 0 GFADRO CC[N@H+]1C[C@@H](C)N(C(=O)Cc2cc3c(cc2Br)OCCO3)[C@@H](C)C1 ZINC000570244601 564497947 /nfs/dbraw/zinc/49/79/47/564497947.db2.gz QBYHCNRFNSULIO-BETUJISGSA-N 1 0 397.313 2.704 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000454115430 564498475 /nfs/dbraw/zinc/49/84/75/564498475.db2.gz WYOJQDHDBODHJU-CQSZACIVSA-N 1 0 382.302 2.637 20 0 GFADRO [NH3+][C@H]1CCC[C@@H](CNC(=O)c2cc(=O)[nH]c3c(Br)cccc23)C1 ZINC000516288804 564498532 /nfs/dbraw/zinc/49/85/32/564498532.db2.gz ZHVGKRUMSVVXLX-MNOVXSKESA-N 1 0 378.270 2.950 20 0 GFADRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc(-n2cc(Br)cn2)cc1 ZINC000516500828 564503512 /nfs/dbraw/zinc/50/35/12/564503512.db2.gz ZPNCKZVOUFUCCL-DLBZAZTESA-N 1 0 389.297 2.991 20 0 GFADRO COCCO[C@@H]1COCC[C@@H]1[NH2+][C@H](C)c1ccc(OC)cc1Br ZINC000547618780 564504142 /nfs/dbraw/zinc/50/41/42/564504142.db2.gz UCIDEVKGZGFANB-OAUYIBNBSA-N 1 0 388.302 2.929 20 0 GFADRO O=C1C[C@@]2(CN1)CCC[N@@H+]([C@H]1CCN(c3ccc(Cl)c(Cl)c3)C1=O)C2 ZINC000481108716 564504386 /nfs/dbraw/zinc/50/43/86/564504386.db2.gz NVRQFRTYXGBDSW-MAUKXSAKSA-N 1 0 382.291 2.701 20 0 GFADRO O=C(NC[C@H]1CCC[NH2+]1)Nc1ccc(CCn2cc(Br)cn2)cc1 ZINC000516551570 564505097 /nfs/dbraw/zinc/50/50/97/564505097.db2.gz ZRBRYPYNRALNES-MRXNPFEDSA-N 1 0 392.301 2.762 20 0 GFADRO O=C(NC[C@H]1C[NH2+]CCCO1)NCC1(c2ccccc2Br)CCC1 ZINC000516555133 564505111 /nfs/dbraw/zinc/50/51/11/564505111.db2.gz WXXKUXHAXOBLFA-CQSZACIVSA-N 1 0 396.329 2.549 20 0 GFADRO CCOc1c(Br)cc(CN2CC[NH2+]C[C@@](C)(F)C2)cc1OC ZINC000516569762 564506306 /nfs/dbraw/zinc/50/63/06/564506306.db2.gz FZTYPPCDDJELID-MRXNPFEDSA-N 1 0 375.282 2.990 20 0 GFADRO COC1(C(=O)Nc2ccnn2Cc2ccc(Cl)cc2Cl)CC[NH2+]CC1 ZINC000570453669 564506470 /nfs/dbraw/zinc/50/64/70/564506470.db2.gz AKVJODQKOLMLNS-UHFFFAOYSA-N 1 0 383.279 2.945 20 0 GFADRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1c1ncnc2cc(F)c(Br)cc21 ZINC000547708877 564507854 /nfs/dbraw/zinc/50/78/54/564507854.db2.gz SNZBFPPBJHYDQT-NSHDSACASA-N 1 0 397.292 2.813 20 0 GFADRO Cc1cc(Br)cc(C)c1S(=O)(=O)NC[C@@H](C)[NH+]1CCCC1 ZINC000547715955 564508741 /nfs/dbraw/zinc/50/87/41/564508741.db2.gz HLVISYGXXFGKDV-CYBMUJFWSA-N 1 0 375.332 2.829 20 0 GFADRO C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000516651968 564508766 /nfs/dbraw/zinc/50/87/66/564508766.db2.gz MVBQWRASYNULGI-SGTLLEGYSA-N 1 0 384.307 2.714 20 0 GFADRO [NH3+][C@H]1CCC[C@@H](CNC(=O)CCNC(=O)Nc2ccc(Br)cc2)C1 ZINC000570508069 564509238 /nfs/dbraw/zinc/50/92/38/564509238.db2.gz JFQHCWZLOLFJGA-OCCSQVGLSA-N 1 0 397.317 2.594 20 0 GFADRO O=S(=O)(C[C@@H](O)C[NH2+]Cc1cscc1C(F)(F)F)c1cccs1 ZINC000516755479 564510640 /nfs/dbraw/zinc/51/06/40/564510640.db2.gz LWBTVJQSDYXPJO-JTQLQIEISA-N 1 0 385.454 2.753 20 0 GFADRO Cc1cnc(CC[NH2+][C@H]2CCS(=O)(=O)c3ccc(Br)cc32)nc1 ZINC000547826479 564512181 /nfs/dbraw/zinc/51/21/81/564512181.db2.gz JLXSWGYUNCSTQP-AWEZNQCLSA-N 1 0 396.310 2.598 20 0 GFADRO COCC[N@@H+]1CCCN(C(=O)[C@@H]2CCc3cc(Br)ccc32)CC1 ZINC000570571961 564512546 /nfs/dbraw/zinc/51/25/46/564512546.db2.gz LGUKJASREAWETL-QGZVFWFLSA-N 1 0 381.314 2.660 20 0 GFADRO CC[C@H]([NH2+][C@@H]1CCN(S(C)(=O)=O)C1)c1cc(F)cc(Br)c1 ZINC000570575579 564513056 /nfs/dbraw/zinc/51/30/56/564513056.db2.gz WDHVMXPJENAQIO-KGLIPLIRSA-N 1 0 379.295 2.663 20 0 GFADRO C[C@@H](CNC(=O)c1ccc(I)cn1)[N@@H+]1CCC[C@H](C)C1 ZINC000454728929 564520782 /nfs/dbraw/zinc/52/07/82/564520782.db2.gz DCTHRQRCCPSDBJ-RYUDHWBXSA-N 1 0 387.265 2.536 20 0 GFADRO C[NH+](C)CCn1ccc(C(=O)N[C@H]2CSc3ccc(Br)cc32)n1 ZINC000570862487 564525116 /nfs/dbraw/zinc/52/51/16/564525116.db2.gz SKANOIYRAHEJHF-AWEZNQCLSA-N 1 0 395.326 2.784 20 0 GFADRO C[C@H](CNS(=O)(=O)c1cc(Br)sc1Cl)[NH+]1CCCC1 ZINC000548041674 564529093 /nfs/dbraw/zinc/52/90/93/564529093.db2.gz HCZBSENCPRMGRQ-MRVPVSSYSA-N 1 0 387.752 2.927 20 0 GFADRO O[C@H](C[NH2+]Cc1cc(Br)c2c(c1)OCCO2)Cc1ccccc1 ZINC000517259935 564530356 /nfs/dbraw/zinc/53/03/56/564530356.db2.gz VWUCDWJFSYMTLU-HNNXBMFYSA-N 1 0 378.266 2.914 20 0 GFADRO Cc1nc(C)c(-c2csc(NC(=O)c3ccn(CC[NH+](C)C)n3)n2)s1 ZINC000570982992 564530531 /nfs/dbraw/zinc/53/05/31/564530531.db2.gz GOSWHICMGUIXQA-UHFFFAOYSA-N 1 0 376.511 2.894 20 0 GFADRO O=S1(=O)C[C@H](C[NH2+]Cc2ccc(Br)cc2)Oc2ccccc21 ZINC000517369868 564532191 /nfs/dbraw/zinc/53/21/91/564532191.db2.gz AJZMLQXUNPQEJX-AWEZNQCLSA-N 1 0 382.279 2.774 20 0 GFADRO CC[NH+]1CCN(CC(=O)N[C@@H](c2cc(F)cc(Br)c2)C2CC2)CC1 ZINC000482032804 564532785 /nfs/dbraw/zinc/53/27/85/564532785.db2.gz MXTQSASXFOOMNQ-GOSISDBHSA-N 1 0 398.320 2.793 20 0 GFADRO COc1ccc(CN(C)CC[N@H+](C)C2CCN(C)CC2)c(Br)c1 ZINC000571053357 564533673 /nfs/dbraw/zinc/53/36/73/564533673.db2.gz OFZTUCMBSGNGRW-UHFFFAOYSA-N 1 0 384.362 2.916 20 0 GFADRO O=C(C[C@@H]1CCC[NH2+]1)N(CCn1ccnc1)Cc1ccccc1Br ZINC000571079818 564535302 /nfs/dbraw/zinc/53/53/02/564535302.db2.gz IUZZXRRJNMKMJL-INIZCTEOSA-N 1 0 391.313 2.817 20 0 GFADRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)COc2ccccc2Br)C1 ZINC000482177055 564536647 /nfs/dbraw/zinc/53/66/47/564536647.db2.gz FPONUPPSWYQPKZ-HNNXBMFYSA-N 1 0 399.329 2.787 20 0 GFADRO CN(C(=O)c1ccn(-c2cccc(Br)c2)n1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000517649209 564538562 /nfs/dbraw/zinc/53/85/62/564538562.db2.gz BPFRRWRMSFHKMB-MRXNPFEDSA-N 1 0 389.297 2.944 20 0 GFADRO Cc1cc(Br)c(F)cc1NC(=O)NC[C@@H]1CCCC[N@@H+]1CCO ZINC000455164892 564539657 /nfs/dbraw/zinc/53/96/57/564539657.db2.gz KJDKRMXWUJLIIX-LBPRGKRZSA-N 1 0 388.281 2.865 20 0 GFADRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)c2ccc(I)cn2)C1 ZINC000455166377 564539742 /nfs/dbraw/zinc/53/97/42/564539742.db2.gz TVGPVJLTYXWXMF-GFCCVEGCSA-N 1 0 387.265 2.536 20 0 GFADRO Cc1nc2cc(Br)cc(NC(=O)NCC[N@@H+]3CCCOCC3)c2o1 ZINC000455181038 564540965 /nfs/dbraw/zinc/54/09/65/564540965.db2.gz NSQUSENOSGPKJA-UHFFFAOYSA-N 1 0 397.273 2.743 20 0 GFADRO C[C@@H](c1ccc(Br)cc1)N1CC[NH+](CC[C@H]2CCNC2=O)CC1 ZINC000571222607 564541241 /nfs/dbraw/zinc/54/12/41/564541241.db2.gz UDYZQZIXLWFNJY-GOEBONIOSA-N 1 0 380.330 2.654 20 0 GFADRO C[C@H](NC(=O)C[N@@H+]1CC[C@@H](C)C1)c1cc2c(cc1Br)OCCO2 ZINC000517959749 564544149 /nfs/dbraw/zinc/54/41/49/564544149.db2.gz LGNZBCJJHKHZAH-NEPJUHHUSA-N 1 0 383.286 2.739 20 0 GFADRO Cc1[nH]c(=O)sc1S(=O)(=O)NCC[NH2+][C@@H]1CCC[C@@H]1CCC(C)C ZINC000482520362 564544438 /nfs/dbraw/zinc/54/44/38/564544438.db2.gz RZSUQGGVJLKEOA-ZIAGYGMSSA-N 1 0 375.560 2.630 20 0 GFADRO C[NH+](C)CCCC(C)(C)NC(=O)Nc1cc2ccc(Br)cn2n1 ZINC000455243550 564544690 /nfs/dbraw/zinc/54/46/90/564544690.db2.gz INMSTLAFNDECIU-UHFFFAOYSA-N 1 0 382.306 3.339 20 0 GFADRO C[C@H](NC(=O)C[NH2+][C@@H](CO)C1CCOCC1)c1ccc(Cl)c(Cl)c1 ZINC000571314939 564545393 /nfs/dbraw/zinc/54/53/93/564545393.db2.gz VCAWHIDUIHVLFE-ZBEGNZNMSA-N 1 0 375.296 2.548 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)N[C@@H](CCO)c2ccccc2Br)C[N@@H+]1C1CC1 ZINC000518242948 564548883 /nfs/dbraw/zinc/54/88/83/564548883.db2.gz YIVNQWBTVJVIAO-IGCXYCKISA-N 1 0 396.329 2.797 20 0 GFADRO C[C@@H]1C[C@@H]1[N@@H+]1CCN(C(=O)c2cn3ccc(Br)cc3n2)C[C@@H](C)C1 ZINC000571391037 564549463 /nfs/dbraw/zinc/54/94/63/564549463.db2.gz VASIWTZPQQLXDI-ZENOOKHLSA-N 1 0 391.313 2.899 20 0 GFADRO O=C(c1cc2c(c(Br)c1)OCO2)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000571439476 564551674 /nfs/dbraw/zinc/55/16/74/564551674.db2.gz NVJAXCWMMFUXTA-NWDGAFQWSA-N 1 0 381.270 2.640 20 0 GFADRO COCCNC(=O)[C@H]1CC[C@H](C)[N@H+](Cc2cc(F)cc(Br)c2)C1 ZINC000482838771 564551829 /nfs/dbraw/zinc/55/18/29/564551829.db2.gz SZLPYFXJMJLVDL-JSGCOSHPSA-N 1 0 387.293 2.951 20 0 GFADRO CC[NH+]1C[C@H](C)N(C(=O)c2ccc(F)c(I)c2)[C@@H](C)C1 ZINC000518433209 564553090 /nfs/dbraw/zinc/55/30/90/564553090.db2.gz LXIRLWCYNUGZQU-QWRGUYRKSA-N 1 0 390.240 2.985 20 0 GFADRO Cc1cc(NC(=O)NCCC[N@@H+](C)CCN(C)C)c(F)cc1Br ZINC000455417243 564553563 /nfs/dbraw/zinc/55/35/63/564553563.db2.gz DXIOZHRYUVOCRU-UHFFFAOYSA-N 1 0 389.313 2.902 20 0 GFADRO O=S1(=O)CC[C@@H]([NH2+]CCc2nccs2)c2cc(Br)ccc21 ZINC000548483849 564553905 /nfs/dbraw/zinc/55/39/05/564553905.db2.gz HOLXGIXNTXQESI-GFCCVEGCSA-N 1 0 387.324 2.956 20 0 GFADRO C[C@H](OC[C@@H](O)C[NH2+]CCc1cn2c(n1)SCC2)c1ccc(Cl)cc1 ZINC000571517089 564554434 /nfs/dbraw/zinc/55/44/34/564554434.db2.gz DWJKJLQBFDFWDS-GUYCJALGSA-N 1 0 381.929 2.913 20 0 GFADRO COc1cc(Br)ccc1CNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000455469402 564555812 /nfs/dbraw/zinc/55/58/12/564555812.db2.gz GFSGKGGXFXWELB-GOOCMWNKSA-N 1 0 382.302 2.882 20 0 GFADRO Cc1c(Cl)cc(F)c(NC(=O)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)c1F ZINC000571571781 564556742 /nfs/dbraw/zinc/55/67/42/564556742.db2.gz FSYCXXLJMGFUDF-JTQLQIEISA-N 1 0 375.847 2.958 20 0 GFADRO C[C@@H]1CC[NH2+]C[C@H]1NS(=O)(=O)Cc1ccc(Cl)cc1Br ZINC000571561657 564557416 /nfs/dbraw/zinc/55/74/16/564557416.db2.gz SVTPKIBJNGEJRX-NOZJJQNGSA-N 1 0 381.723 2.520 20 0 GFADRO CC[C@@H]([NH2+]C[C@@H](O)COc1ccc(Cl)cc1Br)[C@@H](O)CC ZINC000571681954 564561916 /nfs/dbraw/zinc/56/19/16/564561916.db2.gz RKDLUKCZKLDFEI-BNOWGMLFSA-N 1 0 380.710 2.981 20 0 GFADRO CC1(C)C[NH2+]CC[C@@H]1NC(=O)Nc1ccnn1-c1ccc(Br)cn1 ZINC000571771357 564566273 /nfs/dbraw/zinc/56/62/73/564566273.db2.gz DASQGAAWWQONQA-LBPRGKRZSA-N 1 0 393.289 2.539 20 0 GFADRO COc1cc(I)ccc1NC(=O)N[C@@H](C)CC[NH+](C)C ZINC000455735901 564567071 /nfs/dbraw/zinc/56/70/71/564567071.db2.gz NLEGBNCVQJHIAH-JTQLQIEISA-N 1 0 391.253 2.762 20 0 GFADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(CCOc2ccc(Cl)cc2Cl)CC1 ZINC000483506022 564569336 /nfs/dbraw/zinc/56/93/36/564569336.db2.gz FRDOGBAFKPVXAC-MRXNPFEDSA-N 1 0 386.323 2.611 20 0 GFADRO CCN1CC[NH+](C[C@H](C)CNC(=O)Nc2cc(Br)cnc2C)CC1 ZINC000455802638 564571075 /nfs/dbraw/zinc/57/10/75/564571075.db2.gz NZSYSLAMQSMLSL-CYBMUJFWSA-N 1 0 398.349 2.548 20 0 GFADRO CO[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000483693455 564572771 /nfs/dbraw/zinc/57/27/71/564572771.db2.gz ATDOVAGBLXQFMS-VNQPRFMTSA-N 1 0 376.266 2.875 20 0 GFADRO Cc1ccccc1[C@H]([C@@H](C)NC(=O)NCc1n[nH]cc1Br)[NH+](C)C ZINC000548808947 564575807 /nfs/dbraw/zinc/57/58/07/564575807.db2.gz VATSTNLSGPQFAD-WBMJQRKESA-N 1 0 394.317 2.971 20 0 GFADRO C[C@@]1(c2cccc(Br)c2)NC(=O)N(CC[NH+]2CCCCC2)C1=O ZINC000519459814 564577722 /nfs/dbraw/zinc/57/77/22/564577722.db2.gz BJXDZTNFIYAALE-KRWDZBQOSA-N 1 0 380.286 2.702 20 0 GFADRO CC(C)CN(CC[NH+](C)C)C(=O)Nc1cc(N(C)C)c(Br)cn1 ZINC000455873615 564577745 /nfs/dbraw/zinc/57/77/45/564577745.db2.gz YDYCQHJDCMUOFB-UHFFFAOYSA-N 1 0 386.338 2.962 20 0 GFADRO CN(C)c1cc(NC(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)ncc1Br ZINC000455868228 564578009 /nfs/dbraw/zinc/57/80/09/564578009.db2.gz QDEWVOMOELIMRY-NEPJUHHUSA-N 1 0 382.306 2.658 20 0 GFADRO C[C@H](CNC(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1)Oc1cccc(Br)c1 ZINC000519530306 564579707 /nfs/dbraw/zinc/57/97/07/564579707.db2.gz NNTFQYOQINFBQU-XJKCOSOUSA-N 1 0 382.302 2.610 20 0 GFADRO C[NH+]1CCC(Oc2ccc(Cl)cc2NC(=O)NCCC[S@@](C)=O)CC1 ZINC000455951448 564580869 /nfs/dbraw/zinc/58/08/69/564580869.db2.gz ZOIHZHVNCFPUDH-RUZDIDTESA-N 1 0 387.933 2.703 20 0 GFADRO CC(C)C[C@@H]([NH3+])c1noc(CN2C(=O)c3ccc(Br)cc3C2=O)n1 ZINC000572120626 564581460 /nfs/dbraw/zinc/58/14/60/564581460.db2.gz YZOXYDUTCCBJJN-GFCCVEGCSA-N 1 0 393.241 2.674 20 0 GFADRO CN(C)CC[N@H+](C)CCCNC(=O)c1cc(F)c(Br)c(Cl)c1 ZINC000572142718 564582325 /nfs/dbraw/zinc/58/23/25/564582325.db2.gz GYPZKRLKKLYLCZ-UHFFFAOYSA-N 1 0 394.716 2.855 20 0 GFADRO CN(C)CC[N@H+](C)CCCN(C)C(=O)[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000456055623 564585810 /nfs/dbraw/zinc/58/58/10/564585810.db2.gz SUHBWTMCRWHXHT-ZWKOTPCHSA-N 1 0 396.373 2.895 20 0 GFADRO CCCSc1nsc(NC(=O)N2CCC[C@H]([NH+]3CCOCC3)CC2)n1 ZINC000572254588 564586750 /nfs/dbraw/zinc/58/67/50/564586750.db2.gz SVQKBYNBTDCRRL-ZDUSSCGKSA-N 1 0 385.559 2.759 20 0 GFADRO CSC1(CNS(=O)(=O)Cc2cc(Cl)ccc2F)CC[NH+](C)CC1 ZINC000519724597 564589010 /nfs/dbraw/zinc/58/90/10/564589010.db2.gz MOMQWLCYOUMULU-UHFFFAOYSA-N 1 0 380.938 2.726 20 0 GFADRO CS(=O)(=O)N1CC[C@@H]([NH2+][C@H]2CCCCc3cc(Br)ccc32)C1 ZINC000519826681 564592140 /nfs/dbraw/zinc/59/21/40/564592140.db2.gz LJBWVVCQKKRODD-ZBFHGGJFSA-N 1 0 387.343 2.840 20 0 GFADRO CC[NH+](CC)C[C@@H](C)NC(=O)c1nnn(-c2cccc(Br)c2)c1C ZINC000519995327 564596176 /nfs/dbraw/zinc/59/61/76/564596176.db2.gz KEMYFIWELZZQOG-GFCCVEGCSA-N 1 0 394.317 2.798 20 0 GFADRO O=S(=O)(NCCCCC[NH+]1CCCC1)c1ccc(Br)cc1 ZINC000549520300 564596767 /nfs/dbraw/zinc/59/67/67/564596767.db2.gz NOPWERSWXCJFOG-UHFFFAOYSA-N 1 0 375.332 2.994 20 0 GFADRO COc1c(Br)cc(Cl)cc1NC(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000572511222 564597674 /nfs/dbraw/zinc/59/76/74/564597674.db2.gz BKDHNRDRTUXCGM-JTQLQIEISA-N 1 0 377.666 2.818 20 0 GFADRO COc1ccc(Br)cc1C(=O)CCC(=O)N[C@H]1[C@@H](C)[NH2+]CC[C@@H]1C ZINC000572525984 564598549 /nfs/dbraw/zinc/59/85/49/564598549.db2.gz XBCGJFLKTIEGJE-VNBZBWLYSA-N 1 0 397.313 2.923 20 0 GFADRO CC[C@@H]1C[N@H+](CC)CCN1C(=O)c1cc(Br)c2c(c1)OCCO2 ZINC000456351317 564601248 /nfs/dbraw/zinc/60/12/48/564601248.db2.gz MKHOMBQQNCMSCR-CYBMUJFWSA-N 1 0 383.286 2.777 20 0 GFADRO CC[C@@H]1C[N@H+](CC)CCN1C(=O)c1ccc(I)c(O)c1 ZINC000456374231 564603484 /nfs/dbraw/zinc/60/34/84/564603484.db2.gz IVWAACQFLVOXMU-GFCCVEGCSA-N 1 0 388.249 2.553 20 0 GFADRO CC[C@H]([NH2+][C@@H]1CCc2cccc(Br)c2C1)C(=O)N1CCOCC1 ZINC000549779251 564605234 /nfs/dbraw/zinc/60/52/34/564605234.db2.gz ORPMSTKYZXXZAB-PBHICJAKSA-N 1 0 381.314 2.533 20 0 GFADRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)COc1cccc(I)c1 ZINC000572719737 564606929 /nfs/dbraw/zinc/60/69/29/564606929.db2.gz RFCPTVOFTJRUAJ-AWEZNQCLSA-N 1 0 390.265 2.502 20 0 GFADRO C[NH+](C)CCOC1CCN(C(=O)COc2c(Cl)cccc2Cl)CC1 ZINC000485116518 564607180 /nfs/dbraw/zinc/60/71/80/564607180.db2.gz GZCXZKAVPUQRGB-UHFFFAOYSA-N 1 0 375.296 2.941 20 0 GFADRO Cc1cc(S(=O)(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)sc1Br ZINC000549900707 564607891 /nfs/dbraw/zinc/60/78/91/564607891.db2.gz DPNVQAMEWIADHM-CQSZACIVSA-N 1 0 393.372 2.925 20 0 GFADRO COc1cc2[nH+]ccc(NC[C@@H]3CCCS(=O)(=O)C3)c2cc1Br ZINC000572753876 564609251 /nfs/dbraw/zinc/60/92/51/564609251.db2.gz ZOKUIJJWFGHGMW-NSHDSACASA-N 1 0 399.310 2.665 20 0 GFADRO CCC[N@H+](CC)C[C@H](C)NC(=O)NCc1ccc(S(C)(=O)=O)c(Cl)c1 ZINC000572776571 564609911 /nfs/dbraw/zinc/60/99/11/564609911.db2.gz PRLMKIOHMASBAM-ZDUSSCGKSA-N 1 0 389.949 2.663 20 0 GFADRO COCC[N@@H+]1CC[C@@H](NC(=O)c2cc(C)nc3ccc(Br)cc32)C1 ZINC000520766395 564612184 /nfs/dbraw/zinc/61/21/84/564612184.db2.gz WCPVFSKDEJLGIZ-CQSZACIVSA-N 1 0 392.297 2.756 20 0 GFADRO C[NH2+]Cc1ccc(NC(=O)CN(C)C(=O)c2ccc(Br)s2)cc1 ZINC000520815329 564613683 /nfs/dbraw/zinc/61/36/83/564613683.db2.gz GGJCLARHSIZFIB-UHFFFAOYSA-N 1 0 396.310 2.941 20 0 GFADRO C[NH2+]CCCNC(=O)NCCOc1ccc2cc(Br)ccc2c1 ZINC000572856273 564613856 /nfs/dbraw/zinc/61/38/56/564613856.db2.gz JEDUIJMXNFPLCB-UHFFFAOYSA-N 1 0 380.286 2.890 20 0 GFADRO CS(=O)(=O)c1ccc(C[NH2+]CCc2cc(Cl)c3c(c2)OCCO3)cc1 ZINC000520955333 564616669 /nfs/dbraw/zinc/61/66/69/564616669.db2.gz UZLPIJYJNXGWJW-UHFFFAOYSA-N 1 0 381.881 2.847 20 0 GFADRO C[C@H](C[C@H](C)[NH3+])NC(=O)NCc1cc(Cl)cc(I)c1 ZINC000521039609 564618135 /nfs/dbraw/zinc/61/81/35/564618135.db2.gz GNDFFVWQAAXMOU-DTWKUNHWSA-N 1 0 395.672 2.870 20 0 GFADRO O=C(NCc1cc(Cl)cc(I)c1)[C@H]1C[C@]12CC[NH2+]C2 ZINC000572999166 564618664 /nfs/dbraw/zinc/61/86/64/564618664.db2.gz JFCXPRABJZACPZ-OCCSQVGLSA-N 1 0 390.652 2.560 20 0 GFADRO O=C(NCc1cc(Cl)cc(I)c1)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000572999164 564618853 /nfs/dbraw/zinc/61/88/53/564618853.db2.gz JFCXPRABJZACPZ-GXTWGEPZSA-N 1 0 390.652 2.560 20 0 GFADRO O=S1(=O)CCCN1CC[N@H+](Cc1cccs1)C1Cc2ccccc2C1 ZINC000521079171 564619451 /nfs/dbraw/zinc/61/94/51/564619451.db2.gz MKOADQXTGAULDV-UHFFFAOYSA-N 1 0 376.547 2.753 20 0 GFADRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)NCc1ccc(Cl)cc1Cl ZINC000550295298 564619975 /nfs/dbraw/zinc/61/99/75/564619975.db2.gz QIKNFVAKBOXARH-QWHCGFSZSA-N 1 0 386.323 2.846 20 0 GFADRO COC(=O)[C@@H]1CCCC[C@]1(C)[NH2+]Cc1ncc(I)s1 ZINC000573045260 564621157 /nfs/dbraw/zinc/62/11/57/564621157.db2.gz IAOMBZXNSHUIHD-ZANVPECISA-N 1 0 394.278 2.959 20 0 GFADRO C[C@H]1CN(CCO)CCN1C(=O)Nc1cccnc1-c1ccc(Cl)s1 ZINC000573076510 564621723 /nfs/dbraw/zinc/62/17/23/564621723.db2.gz IVXLTGUOFALZOK-LBPRGKRZSA-N 1 0 380.901 2.994 20 0 GFADRO COCCO[C@@H]1COCC[C@@H]1[NH2+][C@H](C)Cc1ccc(Br)cc1F ZINC000485694094 564623639 /nfs/dbraw/zinc/62/36/39/564623639.db2.gz JRPLXDPBDBCODR-OAUYIBNBSA-N 1 0 390.293 2.929 20 0 GFADRO COc1ccc([C@H]([NH2+]CCCNS(C)(=O)=O)C(C)C)c(Br)c1 ZINC000573143520 564625038 /nfs/dbraw/zinc/62/50/38/564625038.db2.gz OPTNYNVKYCDRLH-OAHLLOKOSA-N 1 0 393.347 2.684 20 0 GFADRO CS[C@@H]1CN(Cc2nc3ccc(Br)cc3n2C)C[C@@H]1[NH+](C)C ZINC000485835818 564627112 /nfs/dbraw/zinc/62/71/12/564627112.db2.gz ZVWWQPAIKDWEGI-LSDHHAIUSA-N 1 0 383.359 2.813 20 0 GFADRO CC[NH2+]CCCNC(=O)N1CCN([C@H](C)c2ccc(Br)cc2)CC1 ZINC000573190389 564627348 /nfs/dbraw/zinc/62/73/48/564627348.db2.gz SXLTWLAROQCREM-OAHLLOKOSA-N 1 0 397.361 2.837 20 0 GFADRO C[C@@H](NS(=O)(=O)c1csc(-c2cccc(Br)c2)n1)[C@H](C)[NH3+] ZINC000573205821 564628011 /nfs/dbraw/zinc/62/80/11/564628011.db2.gz CPVSTQYDLBMTMW-DTWKUNHWSA-N 1 0 390.328 2.587 20 0 GFADRO Cn1ccnc1Sc1ncc(C(=O)N2CCC(CC[NH3+])CC2)cc1Cl ZINC000573215877 564628281 /nfs/dbraw/zinc/62/82/81/564628281.db2.gz GCIRIXQDXWZUCC-UHFFFAOYSA-N 1 0 379.917 2.821 20 0 GFADRO C[NH+](C)CCC1CCN(C(=O)C(=O)NCc2c(Cl)cccc2Cl)CC1 ZINC000550723154 564629732 /nfs/dbraw/zinc/62/97/32/564629732.db2.gz MCNIJXXJXFZOPL-UHFFFAOYSA-N 1 0 386.323 2.800 20 0 GFADRO Cc1c(Br)cccc1C[C@@H](CO)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC000456736595 564631678 /nfs/dbraw/zinc/63/16/78/564631678.db2.gz XDZNCGKWHJZCDM-RHSMWYFYSA-N 1 0 385.346 2.611 20 0 GFADRO C[NH+]1CCC(N(C[C@H](O)CC(C)(C)C)S(=O)(=O)CCC(C)(C)C)CC1 ZINC000550823068 564632422 /nfs/dbraw/zinc/63/24/22/564632422.db2.gz LVDFIUPLNJUNHR-QGZVFWFLSA-N 1 0 376.607 2.946 20 0 GFADRO Cc1nc2ccccc2n1CC[NH2+][C@@H](C)Cn1cc(Br)ccc1=O ZINC000521651191 564633415 /nfs/dbraw/zinc/63/34/15/564633415.db2.gz WBRSNOTXAXYHEB-ZDUSSCGKSA-N 1 0 389.297 2.947 20 0 GFADRO COc1ccc(C[NH2+]C[C@H](O)COc2c(Cl)cccc2Cl)c(OC)n1 ZINC000573359698 564634899 /nfs/dbraw/zinc/63/48/99/564634899.db2.gz AGCMPBAUVRKYHA-LBPRGKRZSA-N 1 0 387.263 2.935 20 0 GFADRO C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)N(C)Cc1c(Cl)cccc1Cl ZINC000551070003 564637123 /nfs/dbraw/zinc/63/71/23/564637123.db2.gz PVNJOKKDPIIKHI-ZDUSSCGKSA-N 1 0 386.323 2.942 20 0 GFADRO O=C(NCCOc1ccc(Br)cc1)[C@@]1(c2ccccc2)CC[NH2+]C1 ZINC000573434913 564637462 /nfs/dbraw/zinc/63/74/62/564637462.db2.gz ZNODXQUAZYTROT-IBGZPJMESA-N 1 0 389.293 2.875 20 0 GFADRO Cc1cc(NC(=O)C(=O)N[C@@H](C)C[N@@H+](C)C(C)C)cc(C)c1Br ZINC000522040818 564642828 /nfs/dbraw/zinc/64/28/28/564642828.db2.gz JWEIPLCLKBYFPE-ZDUSSCGKSA-N 1 0 384.318 2.849 20 0 GFADRO Brc1csc2cnc(N3CC[NH+](C[C@@H]4CCOC4)CC3)nc12 ZINC000573578239 564644183 /nfs/dbraw/zinc/64/41/83/564644183.db2.gz KMMDBFVKFUMDHM-NSHDSACASA-N 1 0 383.315 2.612 20 0 GFADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H]1C[C@@H]1c1cccc(Br)c1 ZINC000522101356 564644650 /nfs/dbraw/zinc/64/46/50/564644650.db2.gz CGQZLQZAPRNWEB-BRWVUGGUSA-N 1 0 396.329 2.715 20 0 GFADRO CC1(C)CCC[N@@H+]1CCNC(=O)Cc1cc2c(cc1Br)OCCO2 ZINC000457076715 564644888 /nfs/dbraw/zinc/64/48/88/564644888.db2.gz ONBKHFPTFGWFFP-UHFFFAOYSA-N 1 0 397.313 2.753 20 0 GFADRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H](C)NC(=O)c2ccc(Br)cc2)C1 ZINC000457089972 564645886 /nfs/dbraw/zinc/64/58/86/564645886.db2.gz UJQYTKAABGYZJL-CZUORRHYSA-N 1 0 396.329 2.509 20 0 GFADRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(I)cc2F)C1 ZINC000457098789 564646356 /nfs/dbraw/zinc/64/63/56/564646356.db2.gz UKBBZJZUYPFFJS-LBPRGKRZSA-N 1 0 390.240 2.985 20 0 GFADRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)c2cnc3ccc(Br)cc3c2O)C1 ZINC000457112280 564647619 /nfs/dbraw/zinc/64/76/19/564647619.db2.gz IVYBTIMWLLPRTM-CYBMUJFWSA-N 1 0 392.297 2.845 20 0 GFADRO COc1cccc(N2C[C@@H]([NH2+]Cc3ccc(Br)cn3)CC2=O)c1 ZINC000522248109 564647868 /nfs/dbraw/zinc/64/78/68/564647868.db2.gz UPPFWRIZJKFJRY-AWEZNQCLSA-N 1 0 376.254 2.748 20 0 GFADRO CN1CCN(c2cc[nH+]cc2NC(=O)c2ccc(F)cc2Br)CC1 ZINC000522254982 564648172 /nfs/dbraw/zinc/64/81/72/564648172.db2.gz YPOYZXKKPKJLSA-UHFFFAOYSA-N 1 0 393.260 2.987 20 0 GFADRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)c1ccc(I)c(F)c1 ZINC000522383812 564650960 /nfs/dbraw/zinc/65/09/60/564650960.db2.gz QWUVQUGQHAKQRM-NSHDSACASA-N 1 0 390.240 2.844 20 0 GFADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2cc(I)c[nH]2)C1 ZINC000522388673 564651022 /nfs/dbraw/zinc/65/10/22/564651022.db2.gz FQVOSUXKRYGXIO-TXEJJXNPSA-N 1 0 389.281 2.717 20 0 GFADRO C[NH+](C)CCCOC1CCN(S(=O)(=O)c2cc(Cl)ccc2F)CC1 ZINC000551515194 564652208 /nfs/dbraw/zinc/65/22/08/564652208.db2.gz ZNJKZHADAKZIPH-UHFFFAOYSA-N 1 0 378.897 2.601 20 0 GFADRO COCC[N@H+](C)CCCNCc1c(Br)cncc1Br ZINC000573769280 564653061 /nfs/dbraw/zinc/65/30/61/564653061.db2.gz KJXQETKIBUJQMS-UHFFFAOYSA-N 1 0 395.139 2.665 20 0 GFADRO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)CSc1nncn1-c1cccc(Cl)c1 ZINC000573770563 564653723 /nfs/dbraw/zinc/65/37/23/564653723.db2.gz OBLJQNDFJKWZMV-CYBMUJFWSA-N 1 0 381.933 2.858 20 0 GFADRO CCCc1ccc(Cl)c(S(=O)(=O)N[C@H](C)CCN2CC[NH+](C)CC2)c1 ZINC000551563431 564655445 /nfs/dbraw/zinc/65/54/45/564655445.db2.gz JOCZAWVLUYIUKP-OAHLLOKOSA-N 1 0 387.977 2.597 20 0 GFADRO CC[C@@H]([NH2+]CCCCn1ccnc1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000573829590 564656332 /nfs/dbraw/zinc/65/63/32/564656332.db2.gz QWEQLDBNJQRGEZ-MRXNPFEDSA-N 1 0 384.933 2.966 20 0 GFADRO O[C@@H]1CC[C@@H]2CN(Cc3c(Br)cncc3Br)C[C@@H]12 ZINC000573854668 564656961 /nfs/dbraw/zinc/65/69/61/564656961.db2.gz UDWSHXUUKBNFQT-JRKPZEMJSA-N 1 0 376.092 2.809 20 0 GFADRO C[C@@H]1[C@H]([NH3+])CCCN1C(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1 ZINC000457357247 564657751 /nfs/dbraw/zinc/65/77/51/564657751.db2.gz JDTGKPRWQRZXNO-CZUORRHYSA-N 1 0 384.929 2.765 20 0 GFADRO CS(=O)(=O)Nc1cc(C(=O)NCCC[NH2+]C2CCCCC2)ccc1Cl ZINC000522892627 564658548 /nfs/dbraw/zinc/65/85/48/564658548.db2.gz ZVGFRIROPQCKFI-UHFFFAOYSA-N 1 0 387.933 2.754 20 0 GFADRO C[C@H]1CCN(C(=O)c2cnn(-c3ccc(Br)cc3)c2)[C@@H](C)[C@H]1[NH3+] ZINC000457371670 564658667 /nfs/dbraw/zinc/65/86/67/564658667.db2.gz RDIKQFVYKZLLCK-MKBNYLNASA-N 1 0 377.286 2.833 20 0 GFADRO Cc1c(C(=O)N2CC[C@H](C)[C@H]([NH3+])[C@@H]2C)nnn1-c1cccc(Br)c1 ZINC000457376594 564658701 /nfs/dbraw/zinc/65/87/01/564658701.db2.gz ZCUAQBMGNDOAHW-PGUXBMHVSA-N 1 0 392.301 2.536 20 0 GFADRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)CNC(=O)c2ccc(Cl)cc2Cl)C1 ZINC000522928217 564659077 /nfs/dbraw/zinc/65/90/77/564659077.db2.gz DJRGNMKCLRBLMK-CYBMUJFWSA-N 1 0 386.323 2.960 20 0 GFADRO O[C@H](COc1ccc(Br)cc1)C[N@@H+]1CCC[C@H]1[C@H](O)C(F)(F)F ZINC000523017217 564661130 /nfs/dbraw/zinc/66/11/30/564661130.db2.gz BYZKTTPTUQKGAP-UBHSHLNASA-N 1 0 398.219 2.576 20 0 GFADRO C[C@H](NC(=O)N[C@@H]1CCC[N@H+](CCCO)C1)c1ccccc1Br ZINC000457447856 564661857 /nfs/dbraw/zinc/66/18/57/564661857.db2.gz DUQICDVDXBONKA-UONOGXRCSA-N 1 0 384.318 2.656 20 0 GFADRO CC[N@@H+]1CC[C@H](CNC(=O)c2cn(Cc3ccc(Cl)cc3Cl)nn2)C1 ZINC000457461955 564662590 /nfs/dbraw/zinc/66/25/90/564662590.db2.gz SNYLMEHHPSNWFQ-GFCCVEGCSA-N 1 0 382.295 2.705 20 0 GFADRO C[C@H]([NH2+][C@H]1CCC(=O)N[C@@H]1C1CC1)c1ccc(I)cc1 ZINC000551811508 564664108 /nfs/dbraw/zinc/66/41/08/564664108.db2.gz DFBZRWRCNUWBKJ-JMPLFQLZSA-N 1 0 384.261 2.999 20 0 GFADRO Cc1nn(C)c(NC(=O)N(C)[C@H]2CC[NH2+]C2)c1-c1ccc(Br)cc1 ZINC000574021713 564664330 /nfs/dbraw/zinc/66/43/30/564664330.db2.gz KCLPVUYRCAWYGM-AWEZNQCLSA-N 1 0 392.301 2.984 20 0 GFADRO C[NH+](C)CCOc1ccc(CCNC(=O)c2cc(Br)co2)cc1 ZINC000457526986 564664673 /nfs/dbraw/zinc/66/46/73/564664673.db2.gz BRWXZUPFAISONT-UHFFFAOYSA-N 1 0 381.270 2.955 20 0 GFADRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1ccnc(-c2ccc(Br)cc2)n1 ZINC000551898668 564667086 /nfs/dbraw/zinc/66/70/86/564667086.db2.gz HJPUWPLCYBBOSZ-CVEARBPZSA-N 1 0 389.297 2.910 20 0 GFADRO COCCC[N@H+](C)CCNC(=O)c1cc(Br)ccc1OC(F)F ZINC000574087874 564667941 /nfs/dbraw/zinc/66/79/41/564667941.db2.gz SPRIKXXIFXGSMJ-UHFFFAOYSA-N 1 0 395.244 2.749 20 0 GFADRO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CCO[C@@H](c2ccc(F)c(Br)c2)C1 ZINC000487048060 564673295 /nfs/dbraw/zinc/67/32/95/564673295.db2.gz QIAMEIKYRNWIRJ-AXAPSJFSSA-N 1 0 385.277 2.686 20 0 GFADRO COc1ccc(Br)c(CNC(=O)N2CC[N@H+](C)[C@@H](C(C)C)C2)c1 ZINC000487056834 564673398 /nfs/dbraw/zinc/67/33/98/564673398.db2.gz JHOZPLWIEKZOFX-MRXNPFEDSA-N 1 0 384.318 2.939 20 0 GFADRO C[C@H]([NH2+]Cc1ccc(C[S@](C)=O)cc1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000552074120 564675528 /nfs/dbraw/zinc/67/55/28/564675528.db2.gz BKIISVHEIPCDGO-RZFZLAGVSA-N 1 0 383.510 2.959 20 0 GFADRO C[N@H+](CCc1ccccc1)[C@@H]1CCN(S(=O)(=O)CCc2cccs2)C1 ZINC000574465256 564675661 /nfs/dbraw/zinc/67/56/61/564675661.db2.gz HZGPKTJJDVIOCB-GOSISDBHSA-N 1 0 378.563 2.869 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH2+]C[C@H](O)[C@H]1CCOC1 ZINC000524065241 564675948 /nfs/dbraw/zinc/67/59/48/564675948.db2.gz MWBHQAUAQPOELP-KSSFIOAISA-N 1 0 394.313 2.739 20 0 GFADRO Cc1cc(S(=O)(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)ccc1Br ZINC000487120106 564676627 /nfs/dbraw/zinc/67/66/27/564676627.db2.gz OIQPZRAHJRJWDL-QWHCGFSZSA-N 1 0 375.332 2.909 20 0 GFADRO CN(Cc1c(F)cccc1Cl)S(=O)(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000487142572 564676889 /nfs/dbraw/zinc/67/68/89/564676889.db2.gz YORORFJVBNUYNR-CHWSQXEVSA-N 1 0 377.913 2.618 20 0 GFADRO CCS(=O)(=O)N1CCC(C[NH2+][C@H](C)c2cncc(Br)c2)CC1 ZINC000574532931 564677917 /nfs/dbraw/zinc/67/79/17/564677917.db2.gz WQJBKGCEOZTJAE-GFCCVEGCSA-N 1 0 390.347 2.556 20 0 GFADRO Cn1ncc(Br)c1C[NH2+]C[C@H](CO)Cc1cc(F)c(F)c(F)c1 ZINC000487195672 564678811 /nfs/dbraw/zinc/67/88/11/564678811.db2.gz BXJIQOYJPXLNQN-SNVBAGLBSA-N 1 0 392.219 2.541 20 0 GFADRO C[NH+](C)Cc1ccccc1C(=O)NCC(=O)Nc1cccc(Br)c1 ZINC000487217130 564679013 /nfs/dbraw/zinc/67/90/13/564679013.db2.gz RAGBKOQHOBWHKJ-UHFFFAOYSA-N 1 0 390.281 2.879 20 0 GFADRO CCN(CC)S(=O)(=O)c1cc(NC(=O)[C@H]2CCCCC[NH2+]2)ccc1Cl ZINC000574573572 564679612 /nfs/dbraw/zinc/67/96/12/564679612.db2.gz XUIXEEUGXCFJJC-OAHLLOKOSA-N 1 0 387.933 2.841 20 0 GFADRO COCCC1(C[NH2+]CCS(=O)(=O)c2cccc(Br)c2)CC1 ZINC000574566207 564680181 /nfs/dbraw/zinc/68/01/81/564680181.db2.gz MBIXMFRIAZZLDN-UHFFFAOYSA-N 1 0 376.316 2.629 20 0 GFADRO OCCN1CC[NH+](CCCCNc2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000524412778 564681645 /nfs/dbraw/zinc/68/16/45/564681645.db2.gz NOLQIFQBULNYSR-UHFFFAOYSA-N 1 0 380.842 2.556 20 0 GFADRO Cc1csc(=O)n1CCC(=O)NC[C@@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000552207587 564681702 /nfs/dbraw/zinc/68/17/02/564681702.db2.gz VLIDAUWSKONFKW-HNNXBMFYSA-N 1 0 381.929 2.723 20 0 GFADRO C[C@H]([NH2+]C[C@@H](O)COc1cccc(Br)c1)[C@H](O)Cc1ccccc1 ZINC000574638378 564682853 /nfs/dbraw/zinc/68/28/53/564682853.db2.gz QUYLOIKDGBMMRA-POZUXBRTSA-N 1 0 394.309 2.771 20 0 GFADRO CC[NH+]1CCN(CC(C)(C)NC(=O)NCc2cccc(Br)c2)CC1 ZINC000458082116 564686744 /nfs/dbraw/zinc/68/67/44/564686744.db2.gz SYHLGLFJGRDPDJ-UHFFFAOYSA-N 1 0 397.361 2.664 20 0 GFADRO CNC(=O)C1CCC([NH2+]C[C@@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000574750779 564687182 /nfs/dbraw/zinc/68/71/82/564687182.db2.gz CQRHWWZGUQXZHQ-UXUKBGGZSA-N 1 0 375.296 2.628 20 0 GFADRO OC[C@@H]1CCC[C@@H]([NH2+]C[C@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000574917243 564688642 /nfs/dbraw/zinc/68/86/42/564688642.db2.gz YUCRXPMRVNEVKH-BNOWGMLFSA-N 1 0 392.721 2.983 20 0 GFADRO COC(=O)c1ccc(OC[C@@H](O)C[NH2+]Cc2ccccc2Br)cc1 ZINC000574911816 564689092 /nfs/dbraw/zinc/68/90/92/564689092.db2.gz FHNBDIRIWOHZSI-HNNXBMFYSA-N 1 0 394.265 2.765 20 0 GFADRO C[C@@H](CNC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1)Oc1ccccc1Br ZINC000574974686 564689766 /nfs/dbraw/zinc/68/97/66/564689766.db2.gz JRBGXLLOKYNNKH-GXTWGEPZSA-N 1 0 382.302 2.752 20 0 GFADRO C[C@H]1CC[N@H+](CC(=O)N2CCN(C(=O)c3cc(Cl)cc(Cl)c3)CC2)C1 ZINC000575020722 564690569 /nfs/dbraw/zinc/69/05/69/564690569.db2.gz WICPFZYSENTPIQ-ZDUSSCGKSA-N 1 0 384.307 2.620 20 0 GFADRO COc1cc(I)c(Cl)cc1C(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000575125513 564692913 /nfs/dbraw/zinc/69/29/13/564692913.db2.gz GZMFZPUXGJRDFB-YUMQZZPRSA-N 1 0 396.656 2.809 20 0 GFADRO COCCN(Cc1cc(Br)cs1)C(=O)[C@@H]1C[N@H+](C)C[C@H]1C ZINC000487633646 564693026 /nfs/dbraw/zinc/69/30/26/564693026.db2.gz LRZYWPUGXMFZNA-BXUZGUMPSA-N 1 0 375.332 2.683 20 0 GFADRO CC[NH+](CC)CCCNC(=O)N(CCO)Cc1cccc(Br)c1 ZINC000487630329 564693140 /nfs/dbraw/zinc/69/31/40/564693140.db2.gz GXMVECODCLMLJX-UHFFFAOYSA-N 1 0 386.334 2.685 20 0 GFADRO CO[C@H]1CCN(C(=O)c2cc(C)nc3cc(Br)ccc32)[C@H](C[NH3+])C1 ZINC000575184932 564693404 /nfs/dbraw/zinc/69/34/04/564693404.db2.gz HLHJBLAUGUTNDK-KBPBESRZSA-N 1 0 392.297 2.884 20 0 GFADRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)c1c[nH]c2nccc(Cl)c12 ZINC000487647891 564694005 /nfs/dbraw/zinc/69/40/05/564694005.db2.gz HWZBMSJPDODWMN-FRRDWIJNSA-N 1 0 384.933 2.861 20 0 GFADRO C[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000552523292 564694153 /nfs/dbraw/zinc/69/41/53/564694153.db2.gz CTVFZFGDNMGVAD-WFASDCNBSA-N 1 0 386.323 2.593 20 0 GFADRO Cc1cc(NC(=O)c2nc3ncc(Br)cn3n2)ccc1C[NH+](C)C ZINC000458296501 564697238 /nfs/dbraw/zinc/69/72/38/564697238.db2.gz XZDCBFRNMYMXEP-UHFFFAOYSA-N 1 0 389.257 2.509 20 0 GFADRO [NH3+][C@H]1CCc2ncc(NC(=O)c3cc4c(c(Br)c3)OCO4)cc2C1 ZINC000575376004 564697678 /nfs/dbraw/zinc/69/76/78/564697678.db2.gz JHLZZDOHLDYRRH-NSHDSACASA-N 1 0 390.237 2.641 20 0 GFADRO O=C([C@H]1CCC[N@@H+]1C1CC1)N1CCN(c2cccc(Br)c2)CC1 ZINC000552785797 564700723 /nfs/dbraw/zinc/70/07/23/564700723.db2.gz ALWJCTHSAPVMHX-QGZVFWFLSA-N 1 0 378.314 2.725 20 0 GFADRO COCCN(C)S(=O)(=O)[C@H]1CCC[N@H+](CCCc2ccc(Cl)cc2)C1 ZINC000488061875 564703013 /nfs/dbraw/zinc/70/30/13/564703013.db2.gz LNSUXZGVQYHKAM-SFHVURJKSA-N 1 0 388.961 2.645 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NC[C@@H](C)c1c(Cl)cccc1Cl ZINC000552861341 564703280 /nfs/dbraw/zinc/70/32/80/564703280.db2.gz SPMXRKBWZVUPCV-OLZOCXBDSA-N 1 0 386.323 2.814 20 0 GFADRO CCC[N@H+](CC)CCNC(=O)N[C@@H]1CCO[C@H]1c1cncc(Br)c1 ZINC000458494208 564703480 /nfs/dbraw/zinc/70/34/80/564703480.db2.gz OQHLDSBWQWHDIT-CVEARBPZSA-N 1 0 399.333 2.705 20 0 GFADRO C[NH+](C)CCN(Cc1ccsc1)C(=O)N[C@H]1CCO[C@@]2(CCSC2)C1 ZINC000458546806 564705108 /nfs/dbraw/zinc/70/51/08/564705108.db2.gz AOTQAFBLAMZWDU-WMZOPIPTSA-N 1 0 383.583 2.876 20 0 GFADRO CC[C@H](CSC)N(C)CC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl ZINC000552993686 564705918 /nfs/dbraw/zinc/70/59/18/564705918.db2.gz MGFUPCJOHFIZGF-LLVKDONJSA-N 1 0 378.947 2.755 20 0 GFADRO C[C@H]1CSCC[N@H+](CC(=O)NCCOc2cccc(C(F)(F)F)c2)C1 ZINC000488194820 564706342 /nfs/dbraw/zinc/70/63/42/564706342.db2.gz FNOKGEIZCRXIHF-CYBMUJFWSA-N 1 0 376.444 2.885 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)NCCNc2ncc(C(F)(F)F)cc2Cl)CC[NH2+]1 ZINC000576211297 564707182 /nfs/dbraw/zinc/70/71/82/564707182.db2.gz PMQOTNLOKDNHEL-MWLCHTKSSA-N 1 0 379.814 2.605 20 0 GFADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@H]1COc2c1ccc(Cl)c2Cl ZINC000525771636 564707982 /nfs/dbraw/zinc/70/79/82/564707982.db2.gz BAIAOLRAGHFJQA-FZMZJTMJSA-N 1 0 388.295 2.837 20 0 GFADRO C[NH+](C)C1(CNC(=O)NCc2cc(Br)cc3c2OCC3)CCC1 ZINC000525835354 564710079 /nfs/dbraw/zinc/71/00/79/564710079.db2.gz OGSTWUCUNXQVKL-UHFFFAOYSA-N 1 0 382.302 2.668 20 0 GFADRO COC(=O)c1cc(Br)ccc1NC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000576252053 564710206 /nfs/dbraw/zinc/71/02/06/564710206.db2.gz ITSULMLTARSAHJ-KRWDZBQOSA-N 1 0 396.285 2.843 20 0 GFADRO C[NH+](C)CCOCCNC(=O)N1CC[C@@H](Cc2ccc(Br)cc2)C1 ZINC000458681191 564711498 /nfs/dbraw/zinc/71/14/98/564711498.db2.gz BOFQFOXBERIGNQ-INIZCTEOSA-N 1 0 398.345 2.601 20 0 GFADRO CC[NH+]1CCN(CCCNc2ccc(Br)c(C(F)(F)F)n2)CC1 ZINC000553272809 564714489 /nfs/dbraw/zinc/71/44/89/564714489.db2.gz NXRHHCZIKMNTFW-UHFFFAOYSA-N 1 0 395.267 3.302 20 0 GFADRO O=C(NC[C@H]1CCC[N@H+]1CCCO)NCC(F)(F)c1ccc(Cl)cc1 ZINC000458762199 564717149 /nfs/dbraw/zinc/71/71/49/564717149.db2.gz QHMNSUXKNGXGRN-OAHLLOKOSA-N 1 0 375.847 2.578 20 0 GFADRO COC[C@H](C)C[NH+]1CCN(C(=O)COc2ccc(Cl)cc2Cl)CC1 ZINC000526062449 564717775 /nfs/dbraw/zinc/71/77/75/564717775.db2.gz ICWZFHRNRSELJM-CYBMUJFWSA-N 1 0 375.296 2.799 20 0 GFADRO COc1cc(C(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)cc(Br)c1OC ZINC000576752866 564718103 /nfs/dbraw/zinc/71/81/03/564718103.db2.gz JFQJBRKLQCZLMV-CYBMUJFWSA-N 1 0 397.313 2.928 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCN(S(=O)(=O)c2ccc3ccccc3c2Br)C1 ZINC000576755079 564718438 /nfs/dbraw/zinc/71/84/38/564718438.db2.gz OUXMTTJRFVVCSX-AAEUAGOBSA-N 1 0 383.311 2.960 20 0 GFADRO CCc1nnc(CNC(=O)NC[C@H](c2ccc(SC)cc2)[NH+](C)C)s1 ZINC000458793629 564718573 /nfs/dbraw/zinc/71/85/73/564718573.db2.gz VDCILAUGHRDGOP-CQSZACIVSA-N 1 0 379.555 2.925 20 0 GFADRO CC[C@@H]([NH2+]CCCNS(=O)(=O)CC)c1cc(F)cc(Br)c1 ZINC000553422085 564719538 /nfs/dbraw/zinc/71/95/38/564719538.db2.gz TWGSACUAIUGPIC-CQSZACIVSA-N 1 0 381.311 2.958 20 0 GFADRO C[C@@H]1NC(=O)N(CC[N@H+](C)[C@@H]2CCSc3ccc(Br)cc32)C1=O ZINC000576802285 564719995 /nfs/dbraw/zinc/71/99/95/564719995.db2.gz QJKWIERNSIAPMC-GXFFZTMASA-N 1 0 398.326 2.858 20 0 GFADRO C[C@@H](CNS(=O)(=O)c1cc(Br)cc2cccnc21)[NH+]1CCCC1 ZINC000553450102 564721710 /nfs/dbraw/zinc/72/17/10/564721710.db2.gz NHEKCYHJKYFEDR-LBPRGKRZSA-N 1 0 398.326 2.760 20 0 GFADRO CC[NH+]1CCN(CC(=O)Nc2nnc(-c3ccc(Cl)cc3F)s2)CC1 ZINC000526931832 564722740 /nfs/dbraw/zinc/72/27/40/564722740.db2.gz QUTPCVFZNVWKPR-UHFFFAOYSA-N 1 0 383.880 2.574 20 0 GFADRO CCOC(=O)[C@@H](C)[C@H](C)[NH2+]Cc1cn(-c2ccccc2Br)nn1 ZINC000576992232 564722753 /nfs/dbraw/zinc/72/27/53/564722753.db2.gz XEIWFILMOKDJJX-RYUDHWBXSA-N 1 0 381.274 2.707 20 0 GFADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NCc1nc(C)c(Br)s1 ZINC000458924137 564723865 /nfs/dbraw/zinc/72/38/65/564723865.db2.gz JHIPHEBVJKZDKG-NEPJUHHUSA-N 1 0 387.347 2.982 20 0 GFADRO [NH3+]C1CCC(OCC(=O)Nc2ccc3cccc(Br)c3n2)CC1 ZINC000577105552 564724481 /nfs/dbraw/zinc/72/44/81/564724481.db2.gz AMRZYZZXHOGYRX-UHFFFAOYSA-N 1 0 378.270 3.222 20 0 GFADRO O=C(NCCOc1ccc(Cl)c(Cl)c1)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000458936186 564724701 /nfs/dbraw/zinc/72/47/01/564724701.db2.gz GUUBRCSWDQTPRV-ZDUSSCGKSA-N 1 0 390.311 2.518 20 0 GFADRO O=C(CC[C@@H]1CC[NH2+]C1)NCc1noc(-c2cccc(Br)c2)n1 ZINC000577104037 564724773 /nfs/dbraw/zinc/72/47/73/564724773.db2.gz JNUHELZKVLIVRO-LLVKDONJSA-N 1 0 379.258 2.505 20 0 GFADRO Brc1cc(C[NH2+][C@@H]2CCOC3(CCOCC3)C2)cc2c1OCO2 ZINC000553541041 564724843 /nfs/dbraw/zinc/72/48/43/564724843.db2.gz BTEFDORKNFDNFJ-CYBMUJFWSA-N 1 0 384.270 2.996 20 0 GFADRO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)NCc1nn(C)cc1Cl ZINC000458980479 564727695 /nfs/dbraw/zinc/72/76/95/564727695.db2.gz MKLQHVQDHFNVMB-UHFFFAOYSA-N 1 0 383.846 2.879 20 0 GFADRO C[C@H](C[C@H](C)[NH3+])NC(=O)N1CCN([C@@H](C)c2ccc(Br)cc2)CC1 ZINC000577175491 564727956 /nfs/dbraw/zinc/72/79/56/564727956.db2.gz AEKQMMFNVITMPK-ZNMIVQPWSA-N 1 0 397.361 2.963 20 0 GFADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)N[C@H]1COCC1(C)C ZINC000459101149 564730441 /nfs/dbraw/zinc/73/04/41/564730441.db2.gz CMWVLLBZUGYCBC-INIZCTEOSA-N 1 0 398.345 2.947 20 0 GFADRO COCCN(Cc1sccc1Br)C(=O)c1ccnc(C[NH3+])c1 ZINC000577274633 564731412 /nfs/dbraw/zinc/73/14/12/564731412.db2.gz BEZQYVDVRMCLEN-UHFFFAOYSA-N 1 0 384.299 2.653 20 0 GFADRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2S(=O)(=O)Cc2ccccc2Br)C1 ZINC000577284192 564732395 /nfs/dbraw/zinc/73/23/95/564732395.db2.gz NBBBUPDIIMXSLR-XJKSGUPXSA-N 1 0 387.343 2.695 20 0 GFADRO O=C(NCCn1cc(Br)cn1)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000577287945 564732608 /nfs/dbraw/zinc/73/26/08/564732608.db2.gz PUPODUCCCAMGCL-UHFFFAOYSA-N 1 0 386.253 2.636 20 0 GFADRO C[NH+](C)CCN(Cc1cnc2ccc(Br)cn12)C[C@H]1CCCO1 ZINC000577304859 564733519 /nfs/dbraw/zinc/73/35/19/564733519.db2.gz AVILZPXBDLGEMS-MRXNPFEDSA-N 1 0 381.318 2.639 20 0 GFADRO CSc1c(C(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)cnn1C ZINC000527194861 564733827 /nfs/dbraw/zinc/73/38/27/564733827.db2.gz WODZURLVNBOKLG-UHFFFAOYSA-N 1 0 376.448 2.677 20 0 GFADRO C[N@H+]1CC=C(CNC(=O)c2c(O)cnc3c(Br)cccc32)CC1 ZINC000577330610 564734620 /nfs/dbraw/zinc/73/46/20/564734620.db2.gz XDUGMGRALRMZJI-UHFFFAOYSA-N 1 0 376.254 2.695 20 0 GFADRO CC(C)[C@H]1CN(C(=O)c2cc(Br)c3c(c2)OCCO3)CC[N@@H+]1C ZINC000489317162 564734991 /nfs/dbraw/zinc/73/49/91/564734991.db2.gz GPDLGWACYOBNSQ-CQSZACIVSA-N 1 0 383.286 2.633 20 0 GFADRO CC(C)[C@H]1CN(C(=O)NCc2nc3c(cccc3Br)[nH]2)CC[N@@H+]1C ZINC000459188731 564735636 /nfs/dbraw/zinc/73/56/36/564735636.db2.gz CLWLKIBNRXSDAC-CQSZACIVSA-N 1 0 394.317 2.807 20 0 GFADRO CN(CCC[NH+]1CCCC1)C(=O)NCc1nc2c(cccc2Br)[nH]1 ZINC000459191753 564735754 /nfs/dbraw/zinc/73/57/54/564735754.db2.gz DYUUPDAPBDRALX-UHFFFAOYSA-N 1 0 394.317 2.953 20 0 GFADRO C[C@H](C[C@H](C)[NH3+])NC(=O)Nc1cc(Br)ccc1N1CCOCC1 ZINC000577512003 564736013 /nfs/dbraw/zinc/73/60/13/564736013.db2.gz GPZSHIQMPZJGRV-NWDGAFQWSA-N 1 0 385.306 2.533 20 0 GFADRO C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000553796349 564736892 /nfs/dbraw/zinc/73/68/92/564736892.db2.gz NSYLLWQXSLYILX-KZULUSFZSA-N 1 0 384.307 2.666 20 0 GFADRO O=S(=O)(N1CC[NH+](CC2CCC(F)(F)CC2)CC1)N1CCCCCC1 ZINC000459299726 564738777 /nfs/dbraw/zinc/73/87/77/564738777.db2.gz HSOJJMLSWKNZTK-UHFFFAOYSA-N 1 0 379.517 2.550 20 0 GFADRO C[N@@H+]1CCC[C@H](CCNC(=O)N(CCO)Cc2cccc(Br)c2)C1 ZINC000459286686 564738898 /nfs/dbraw/zinc/73/88/98/564738898.db2.gz FPCAMIQEMPJZGS-OAHLLOKOSA-N 1 0 398.345 2.685 20 0 GFADRO C[C@H](CNC(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)Oc1ccccc1Br ZINC000577998778 564739402 /nfs/dbraw/zinc/73/94/02/564739402.db2.gz YFUCVNYAAMZPTC-APIJFGDWSA-N 1 0 396.329 2.904 20 0 GFADRO CS[C@H]1CN(S(=O)(=O)Cc2cc(Cl)ccc2F)C[C@@H]1[NH+]1CCCC1 ZINC000527327203 564739778 /nfs/dbraw/zinc/73/97/78/564739778.db2.gz OOHODNMZAMMRPG-HOTGVXAUSA-N 1 0 392.949 2.821 20 0 GFADRO [NH3+][C@@H]1CCCC[C@H]1CC(=O)NCCc1ccc(I)s1 ZINC000578066284 564740281 /nfs/dbraw/zinc/74/02/81/564740281.db2.gz NFHSDKMECHAYOY-CMPLNLGQSA-N 1 0 392.306 2.919 20 0 GFADRO COC(=O)CC1([NH2+]CCS(=O)(=O)c2cc(Cl)ccc2Cl)CCC1 ZINC000459396295 564742133 /nfs/dbraw/zinc/74/21/33/564742133.db2.gz IIRSVGLGEMEWNK-UHFFFAOYSA-N 1 0 380.293 2.843 20 0 GFADRO C[C@@H]1CN(CCn2cc(Cl)cn2)C(C)(C)CN1CCn1cc(Cl)cn1 ZINC000459491777 564746705 /nfs/dbraw/zinc/74/67/05/564746705.db2.gz VLCJJAGQKWYIDZ-CQSZACIVSA-N 1 0 385.343 2.871 20 0 GFADRO CCO[C@@H]1C[C@H]([NH2+]CCCNS(=O)(=O)c2ccccc2Cl)[C@@H]1SC ZINC000459541822 564749710 /nfs/dbraw/zinc/74/97/10/564749710.db2.gz NEBQPQGIOQORJA-LZWOXQAQSA-N 1 0 392.974 2.507 20 0 GFADRO COC[C@@H]([NH2+]C[C@H]1CCN(S(=O)(=O)c2cccs2)C1)c1ccccc1 ZINC000554094896 564750064 /nfs/dbraw/zinc/75/00/64/564750064.db2.gz LQIITRYAVOTLJI-NVXWUHKLSA-N 1 0 380.535 2.736 20 0 GFADRO O=C([C@@H]1C[NH2+]CCC1(F)F)N1CCc2ccc(F)c(Br)c2C1 ZINC000527616626 564750154 /nfs/dbraw/zinc/75/01/54/564750154.db2.gz IYGYLAKDAKYQMT-NSHDSACASA-N 1 0 377.204 2.718 20 0 GFADRO CCCC[NH+]1CCC(NS(=O)(=O)c2ccc(OC(F)F)c(F)c2)CC1 ZINC000579672423 564751262 /nfs/dbraw/zinc/75/12/62/564751262.db2.gz RSJRMLTYZKUAEX-UHFFFAOYSA-N 1 0 380.432 2.970 20 0 GFADRO O[C@@H]1CCC[C@@H]1[NH+]1CCC(NCc2ncc(Cl)cc2Br)CC1 ZINC000527674990 564754235 /nfs/dbraw/zinc/75/42/35/564754235.db2.gz NSYINSHTCBYKFV-JKSUJKDBSA-N 1 0 388.737 2.965 20 0 GFADRO CC(C)Oc1cc(Cl)c(C[NH2+]C[C@@](C)(O)CN2CCOCC2)cc1Cl ZINC000527665729 564754335 /nfs/dbraw/zinc/75/43/35/564754335.db2.gz JUQHHJYTCPEQBE-GOSISDBHSA-N 1 0 391.339 2.953 20 0 GFADRO C[C@]1(CNC(=O)c2ccc(I)c(F)c2)CCC[NH2+]C1 ZINC000580304121 564755273 /nfs/dbraw/zinc/75/52/73/564755273.db2.gz YTFXVGJYRYLXAY-AWEZNQCLSA-N 1 0 376.213 2.550 20 0 GFADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+]CCOCC1CCC1 ZINC000580396231 564756021 /nfs/dbraw/zinc/75/60/21/564756021.db2.gz XYXXIXDXWYZBSY-CYBMUJFWSA-N 1 0 399.329 2.869 20 0 GFADRO CCn1cc([C@@H]2NC(=O)CC[C@H]2[NH2+]Cc2ccsc2Br)cn1 ZINC000527694864 564756049 /nfs/dbraw/zinc/75/60/49/564756049.db2.gz KWMMZWXDQURZCN-OCCSQVGLSA-N 1 0 383.315 2.837 20 0 GFADRO Cc1cc(N2CCC[C@@H]([NH2+]Cc3ncc(Br)cc3F)C2)n(C)n1 ZINC000527698759 564756222 /nfs/dbraw/zinc/75/62/22/564756222.db2.gz CHGZBPSKUXSFRB-CYBMUJFWSA-N 1 0 382.281 2.784 20 0 GFADRO CN(Cc1ccccc1Br)C(=O)C[N@@H+]1CC2(CCC2)[C@H]2COC[C@@H]21 ZINC000459693743 564757417 /nfs/dbraw/zinc/75/74/17/564757417.db2.gz CYWPTJOLOHWFDF-RDJZCZTQSA-N 1 0 393.325 2.908 20 0 GFADRO O=S(=O)(CC[NH2+]C1(CO)CCSCC1)c1cc(Cl)ccc1Cl ZINC000459709755 564757853 /nfs/dbraw/zinc/75/78/53/564757853.db2.gz KPHLVTHUMNULHZ-UHFFFAOYSA-N 1 0 384.350 2.615 20 0 GFADRO O[C@@H](C[NH2+]Cc1ccc(-c2ccccc2Br)s1)Cn1ccnn1 ZINC000459706969 564757982 /nfs/dbraw/zinc/75/79/82/564757982.db2.gz WHABNBSCQDVHIY-LBPRGKRZSA-N 1 0 393.310 2.920 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]1C1CCN(S(=O)(=O)Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000580445191 564759440 /nfs/dbraw/zinc/75/94/40/564759440.db2.gz NLLKHMPQQJXHOB-CVEARBPZSA-N 1 0 393.336 2.651 20 0 GFADRO COc1c(Br)cccc1C[NH2+][C@@]1(CO)COc2ccccc2C1 ZINC000527769479 564760734 /nfs/dbraw/zinc/76/07/34/564760734.db2.gz PHLAMYJDYVYEQR-SFHVURJKSA-N 1 0 378.266 2.914 20 0 GFADRO COc1cc(C[NH2+]CC23CC(C2)CO3)cc(I)c1OC ZINC000527790943 564761749 /nfs/dbraw/zinc/76/17/49/564761749.db2.gz WZAXQTXWCLPXTP-UHFFFAOYSA-N 1 0 389.233 2.577 20 0 GFADRO CC[N@@H+]1CCN(C(=O)[C@@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)[C@@H](C)C1 ZINC000580535415 564763111 /nfs/dbraw/zinc/76/31/11/564763111.db2.gz IXAVEKOXMFKAQM-JSGCOSHPSA-N 1 0 384.307 2.899 20 0 GFADRO COCCN(Cc1nc(-c2ccc(Br)s2)no1)[C@@H]1CCOC1 ZINC000490098134 564764093 /nfs/dbraw/zinc/76/40/93/564764093.db2.gz XGZBCILTXORYJD-SNVBAGLBSA-N 1 0 388.287 2.798 20 0 GFADRO Cc1oc(-c2ccc(Cl)c(Cl)c2)nc1C(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000580569034 564765187 /nfs/dbraw/zinc/76/51/87/564765187.db2.gz XUCWKRDXARWXLF-KBPBESRZSA-N 1 0 384.263 2.704 20 0 GFADRO C[C@H]([NH2+]C[C@H](O)[C@H]1CCCO1)c1ccc(F)c(I)c1 ZINC000527953152 564765225 /nfs/dbraw/zinc/76/52/25/564765225.db2.gz KCQHPKBOWOCXNI-QCZZGDTMSA-N 1 0 379.213 2.621 20 0 GFADRO C[C@@H]([NH2+]C[C@@]1(CO)COCC2(CCC2)N1C)c1cccc(Br)c1 ZINC000527943925 564765266 /nfs/dbraw/zinc/76/52/66/564765266.db2.gz CAHNKMKBRMXTBD-RDTXWAMCSA-N 1 0 383.330 2.716 20 0 GFADRO CC[C@H]([NH2+]C[C@H](O)[C@H]1CCCO1)c1ccc(I)cc1 ZINC000527956631 564766118 /nfs/dbraw/zinc/76/61/18/564766118.db2.gz RCBGQLPRKRMDFG-SOUVJXGZSA-N 1 0 375.250 2.872 20 0 GFADRO C[NH+]1CCN(c2ccc(NC(=O)c3cc(O)cc(Br)c3)nc2)CC1 ZINC000528024031 564767019 /nfs/dbraw/zinc/76/70/19/564767019.db2.gz SQPTZVCJGICEPF-UHFFFAOYSA-N 1 0 391.269 2.554 20 0 GFADRO O=S(=O)(c1cc(Cl)sc1Cl)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000528061952 564768783 /nfs/dbraw/zinc/76/87/83/564768783.db2.gz ZPPYNRXPVHVMGY-NSHDSACASA-N 1 0 399.365 2.834 20 0 GFADRO CS[C@@H]1CN(C(=O)COc2ccccc2Br)C[C@@H]1[NH+]1CCCC1 ZINC000460112960 564769825 /nfs/dbraw/zinc/76/98/25/564769825.db2.gz RNJZIOQPFVVBKT-GOEBONIOSA-N 1 0 399.354 2.866 20 0 GFADRO C[NH+]1CCN(c2ccnc(-c3noc([C@@H]4C[C@@]4(C)Br)n3)c2)CC1 ZINC000528141338 564770586 /nfs/dbraw/zinc/77/05/86/564770586.db2.gz PEVIRYHJRXEOTM-BLLLJJGKSA-N 1 0 378.274 2.524 20 0 GFADRO Cc1cc(Br)ccc1CNC(=O)N(C)CCC[N@@H+](C)CCN(C)C ZINC000460264408 564773427 /nfs/dbraw/zinc/77/34/27/564773427.db2.gz OTUFEJHJKCKSCV-UHFFFAOYSA-N 1 0 399.377 2.782 20 0 GFADRO COc1cc2[nH+]ccc(N3C[C@](C)(CO)[C@](C)(CO)C3)c2cc1Br ZINC000528204334 564773487 /nfs/dbraw/zinc/77/34/87/564773487.db2.gz WXQWTWLNVDLBES-HDICACEKSA-N 1 0 395.297 2.823 20 0 GFADRO CCn1c(-c2cc(Br)cn2C)nnc1N1CCC[N@H+](CC)CC1 ZINC000460312622 564773833 /nfs/dbraw/zinc/77/38/33/564773833.db2.gz RCTSOYMXPIMUPE-UHFFFAOYSA-N 1 0 381.322 2.598 20 0 GFADRO C[N@@H+]1CC[C@]2(CCN(C(=O)NCc3ccc(Br)c(F)c3F)C2)C1 ZINC000528257816 564775139 /nfs/dbraw/zinc/77/51/39/564775139.db2.gz ZOYDARSQEISPFR-INIZCTEOSA-N 1 0 388.256 2.965 20 0 GFADRO CCC(CC)(CCO)[NH2+]CC(=O)N(C)Cc1cc(Br)cs1 ZINC000554862249 564775435 /nfs/dbraw/zinc/77/54/35/564775435.db2.gz BVKLPNMHHBHDOA-UHFFFAOYSA-N 1 0 377.348 3.000 20 0 GFADRO Cc1cnn([C@@H]2CC[N@H+](C[C@@H](O)COc3cc(F)cc(Br)c3)C2)c1 ZINC000554958613 564778940 /nfs/dbraw/zinc/77/89/40/564778940.db2.gz PGAKVKIRMLVSQQ-HZPDHXFCSA-N 1 0 398.276 2.780 20 0 GFADRO COc1ccc(Br)cc1CC(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000460679685 564779070 /nfs/dbraw/zinc/77/90/70/564779070.db2.gz VWQQJFYYLWUUHK-ZIAGYGMSSA-N 1 0 399.329 2.616 20 0 GFADRO COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)NC[C@@H](C)[NH+]1CCCC1 ZINC000580908209 564779257 /nfs/dbraw/zinc/77/92/57/564779257.db2.gz QMEBCFJASZBZLM-SNVBAGLBSA-N 1 0 395.308 2.543 20 0 GFADRO CS[C@H]1CN(S(=O)(=O)c2cc(Cl)ccc2F)C[C@H]1[NH+]1CCCC1 ZINC000580968132 564782113 /nfs/dbraw/zinc/78/21/13/564782113.db2.gz ZYLMZEXRJVXABS-KGLIPLIRSA-N 1 0 378.922 2.679 20 0 GFADRO O=C(NCCC[NH+]1CCCC1)N1CCOc2ccc(Br)cc2C1 ZINC000555115533 564783588 /nfs/dbraw/zinc/78/35/88/564783588.db2.gz VRZJNZCZMOGRMR-UHFFFAOYSA-N 1 0 382.302 2.839 20 0 GFADRO C[C@H](CNC(=O)[C@H]([NH3+])Cc1ccccc1)Oc1ccc(Br)cc1 ZINC000490977354 564783985 /nfs/dbraw/zinc/78/39/85/564783985.db2.gz XSCKJLLYWWZIFR-CXAGYDPISA-N 1 0 377.282 2.903 20 0 GFADRO Cn1cc(Br)cc(NC(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1=O ZINC000581019987 564784069 /nfs/dbraw/zinc/78/40/69/564784069.db2.gz DRUJLCFHDFBVJU-CQSZACIVSA-N 1 0 390.281 2.608 20 0 GFADRO [NH3+][C@@H]1CCC[C@H]2CN(c3ncnc4cccc(I)c43)C[C@H]21 ZINC000581063037 564786063 /nfs/dbraw/zinc/78/60/63/564786063.db2.gz VHYRLUODBPAWFP-DMDPSCGWSA-N 1 0 394.260 2.798 20 0 GFADRO COc1ccc(-c2csc([C@@]3(NC(C)=O)CC[NH2+]C3)n2)cc1Br ZINC000581071167 564787104 /nfs/dbraw/zinc/78/71/04/564787104.db2.gz CBFVFYCBEDWAQS-MRXNPFEDSA-N 1 0 396.310 2.906 20 0 GFADRO CCC[NH+]1CCN(C(=O)Nc2ccc3nccnc3c2Br)CC1 ZINC000491205891 564788611 /nfs/dbraw/zinc/78/86/11/564788611.db2.gz RAWBQWWLJOFVRA-UHFFFAOYSA-N 1 0 378.274 2.952 20 0 GFADRO CC[C@H]([NH2+]CCNS(=O)(=O)Cc1ccon1)c1cccc(Cl)c1F ZINC000461094671 564789224 /nfs/dbraw/zinc/78/92/24/564789224.db2.gz MOEFBDOFFLMSSI-AWEZNQCLSA-N 1 0 375.853 2.627 20 0 GFADRO CC[N@@H+]1CC[C@H]2OCCN(S(=O)(=O)Cc3c(Cl)cccc3Cl)[C@H]2C1 ZINC000555388399 564791618 /nfs/dbraw/zinc/79/16/18/564791618.db2.gz DUAUAXJUCYIRJK-JKSUJKDBSA-N 1 0 393.336 2.618 20 0 GFADRO Cc1cc(Br)cc(S(=O)(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)c1 ZINC000581190664 564792393 /nfs/dbraw/zinc/79/23/93/564792393.db2.gz WMGCSZBRCJBKQE-CQSZACIVSA-N 1 0 387.343 2.768 20 0 GFADRO C[NH+](C)Cc1ccc(S(=O)(=O)N[C@H](c2cccs2)C(C)(C)CO)cc1 ZINC000581219411 564793316 /nfs/dbraw/zinc/79/33/16/564793316.db2.gz KTYDXXOQWGPFMZ-QGZVFWFLSA-N 1 0 382.551 2.848 20 0 GFADRO CO[C@H](C[NH3+])C(=O)N[C@](C)(Cc1cccc(Br)c1)c1ccccc1 ZINC000581245298 564794480 /nfs/dbraw/zinc/79/44/80/564794480.db2.gz HQKCMMPCYLURNM-IEBWSBKVSA-N 1 0 391.309 2.997 20 0 GFADRO C[N@H+](Cc1ccc(Br)c(Br)c1)CC(C)(CO)CO ZINC000581243592 564794616 /nfs/dbraw/zinc/79/46/16/564794616.db2.gz MUQMYOXIXWFCFW-UHFFFAOYSA-N 1 0 381.108 2.634 20 0 GFADRO COC(=O)c1cc(NC(=O)N2C[C@@H](SC)[C@@H]([NH+](C)C)C2)cc(Cl)c1F ZINC000555476482 564795381 /nfs/dbraw/zinc/79/53/81/564795381.db2.gz AKOQVFFOKIZHAP-QWHCGFSZSA-N 1 0 389.880 2.775 20 0 GFADRO COC(=O)c1c(Br)ccc(NC(=O)N(C)CCC[NH+](C)C)c1C ZINC000555515649 564796217 /nfs/dbraw/zinc/79/62/17/564796217.db2.gz GACSITZRCQHMTE-UHFFFAOYSA-N 1 0 386.290 2.960 20 0 GFADRO Cc1nc(C(=O)NCCCC[NH+]2C[C@@H](C)O[C@H](C)C2)c(Br)s1 ZINC000581320171 564796766 /nfs/dbraw/zinc/79/67/66/564796766.db2.gz VIGZZNFINCYLGF-GHMZBOCLSA-N 1 0 390.347 2.833 20 0 GFADRO C[C@@H]([NH3+])C1CCN(c2ncnc3ccc(I)cc32)CC1 ZINC000581301057 564796999 /nfs/dbraw/zinc/79/69/99/564796999.db2.gz VBPGVAAZIBHJBO-SNVBAGLBSA-N 1 0 382.249 2.798 20 0 GFADRO Cn1nnc2cc(C[NH2+][C@@H](CO)c3ccc(Br)c(F)c3)ccc21 ZINC000492102516 564798689 /nfs/dbraw/zinc/79/86/89/564798689.db2.gz FNXUICXGZXAZAW-HNNXBMFYSA-N 1 0 379.233 2.693 20 0 GFADRO O=C(NC[C@H]1COCC[NH2+]1)Nc1cc(Br)cc(C(F)(F)F)c1 ZINC000528678464 564799528 /nfs/dbraw/zinc/79/95/28/564799528.db2.gz ORSADOOJCWEQMC-NSHDSACASA-N 1 0 382.180 2.578 20 0 GFADRO Cc1c(Br)cccc1CNC(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000581378946 564800129 /nfs/dbraw/zinc/80/01/29/564800129.db2.gz YFXDNTSHKUYWTN-MRXNPFEDSA-N 1 0 386.359 2.994 20 0 GFADRO C[C@@H](NC(=O)Nc1ccc2c(c1)OCC[NH2+]C2)c1ncc(Br)cn1 ZINC000528704242 564801734 /nfs/dbraw/zinc/80/17/34/564801734.db2.gz GYYLNAIUCLDNHC-SNVBAGLBSA-N 1 0 392.257 2.604 20 0 GFADRO CCCN1C[C@H](C[NH2+]C[C@@H](O)COc2c(Cl)cccc2Cl)CC1=O ZINC000581425155 564801751 /nfs/dbraw/zinc/80/17/51/564801751.db2.gz ZJHAXDBVUJMISA-QWHCGFSZSA-N 1 0 375.296 2.581 20 0 GFADRO C[NH+]1CCC(O)(CNC(=O)c2c(Br)ccc3ccccc32)CC1 ZINC000528703163 564801904 /nfs/dbraw/zinc/80/19/04/564801904.db2.gz HWVBPUFBGUZKFR-UHFFFAOYSA-N 1 0 377.282 2.789 20 0 GFADRO COC(=O)[C@@H](c1ccc(Cl)cc1Cl)N(C)CCC[NH+]1CCN(C)CC1 ZINC000492890886 564804812 /nfs/dbraw/zinc/80/48/12/564804812.db2.gz JAXNZDAZKGCYEF-QGZVFWFLSA-N 1 0 388.339 2.777 20 0 GFADRO CN(CC[NH+]1CCCC1)S(=O)(=O)c1cccc(Cl)c1Br ZINC000493254625 564806450 /nfs/dbraw/zinc/80/64/50/564806450.db2.gz LGMDZOZJDZJUFS-UHFFFAOYSA-N 1 0 381.723 2.819 20 0 GFADRO CC(C)[C@@H](CSc1ccccc1)[NH2+]CCNS(=O)(=O)Cc1ccon1 ZINC000493277869 564806702 /nfs/dbraw/zinc/80/67/02/564806702.db2.gz SEBBGEBAEZMOIN-QGZVFWFLSA-N 1 0 383.539 2.501 20 0 GFADRO O[C@@H](C[NH2+]CCn1cc(Br)cn1)COc1ccc2ccccc2c1 ZINC000581543925 564807339 /nfs/dbraw/zinc/80/73/39/564807339.db2.gz ABPDXPMXLQKQJX-KRWDZBQOSA-N 1 0 390.281 2.828 20 0 GFADRO O=C(CC[NH2+]C[C@H](O)COc1ccccc1)Nc1cccc(Br)c1 ZINC000581573627 564808024 /nfs/dbraw/zinc/80/80/24/564808024.db2.gz FWKXRSVXRCEIMZ-INIZCTEOSA-N 1 0 393.281 2.807 20 0 GFADRO COc1ccc([C@H]([NH2+]CC(=O)Nc2ccc(Br)cn2)C2CC2)cn1 ZINC000528847656 564808212 /nfs/dbraw/zinc/80/82/12/564808212.db2.gz NGDVQBIKDLLBGP-QGZVFWFLSA-N 1 0 391.269 2.927 20 0 GFADRO O=S(=O)(C1COC1)N(CC[NH+]1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC000493573096 564808855 /nfs/dbraw/zinc/80/88/55/564808855.db2.gz NLWASAZYGPMUMY-UHFFFAOYSA-N 1 0 393.336 2.620 20 0 GFADRO CC[NH+](CC)CCS(=O)(=O)N[C@@H](C)c1noc(-c2ccc(Cl)cc2)n1 ZINC000555947895 564809617 /nfs/dbraw/zinc/80/96/17/564809617.db2.gz IQHSLQDZNCIRDT-LBPRGKRZSA-N 1 0 386.905 2.712 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1cccc(Cl)c1Br ZINC000493734629 564810858 /nfs/dbraw/zinc/81/08/58/564810858.db2.gz GADZUFMLUGLTHR-JTQLQIEISA-N 1 0 381.723 2.865 20 0 GFADRO C[C@@H]1CC[C@H]([NH2+]CC(=O)Nc2ccc(Br)cc2)[C@H](n2cncn2)C1 ZINC000556061927 564811414 /nfs/dbraw/zinc/81/14/14/564811414.db2.gz FTMYJQNHSPLRAG-UHOFOFEASA-N 1 0 392.301 2.999 20 0 GFADRO CC(C)[N@@H+](C)C[C@H](C)NC(=O)N(C)[C@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000462015539 564811746 /nfs/dbraw/zinc/81/17/46/564811746.db2.gz QJEIZTNZFOQCKM-WFASDCNBSA-N 1 0 387.933 2.539 20 0 GFADRO COCCN1CCC([NH2+][C@@H]2CCN(c3ccc(Br)cc3)C2)CC1 ZINC000462039947 564812672 /nfs/dbraw/zinc/81/26/72/564812672.db2.gz KQBVMJZYJTYLFU-QGZVFWFLSA-N 1 0 382.346 2.728 20 0 GFADRO C[C@H](C[NH+]1CCCCC1)NS(=O)(=O)CCc1ccccc1Br ZINC000462068209 564815022 /nfs/dbraw/zinc/81/50/22/564815022.db2.gz RZNIHLITJOWRAY-CQSZACIVSA-N 1 0 389.359 2.785 20 0 GFADRO COc1ccc(C[NH2+][C@H](C)Cn2cc(Br)ccc2=O)cc1OC ZINC000556236111 564816404 /nfs/dbraw/zinc/81/64/04/564816404.db2.gz MUFBKHNORVDTTQ-GFCCVEGCSA-N 1 0 381.270 2.806 20 0 GFADRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NS(=O)(=O)c1cccc(Br)c1Cl ZINC000556376593 564822836 /nfs/dbraw/zinc/82/28/36/564822836.db2.gz ZSIGUDAYAAWCJY-SKDRFNHKSA-N 1 0 393.734 2.864 20 0 GFADRO Cn1nccc1N1CCC[C@@H]([NH2+]Cc2cccc(I)c2)C1 ZINC000556411820 564824425 /nfs/dbraw/zinc/82/44/25/564824425.db2.gz HJLSTCJVRAATPT-OAHLLOKOSA-N 1 0 396.276 2.783 20 0 GFADRO O=C(C[NH2+]C1CCSCC1)Nc1ccc(I)cc1 ZINC000556413031 564825284 /nfs/dbraw/zinc/82/52/84/564825284.db2.gz HRFQGDHSKLLRMM-UHFFFAOYSA-N 1 0 376.263 2.715 20 0 GFADRO COC(=O)c1cc(Br)cc(C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)c1 ZINC000462195232 564826850 /nfs/dbraw/zinc/82/68/50/564826850.db2.gz ZLYCOZBDDMWFPP-HUUCEWRRSA-N 1 0 383.286 2.838 20 0 GFADRO COc1cc(Br)c(C[NH2+]CCC(=O)Nc2cccnc2)cc1OC ZINC000581998135 564826853 /nfs/dbraw/zinc/82/68/53/564826853.db2.gz WVCAXGIRTNXKPA-UHFFFAOYSA-N 1 0 394.269 2.980 20 0 GFADRO COC(=O)c1cc(Br)cc(C(=O)N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c1 ZINC000462202758 564827226 /nfs/dbraw/zinc/82/72/26/564827226.db2.gz XGMZHYOOSTVKFA-YGRLFVJLSA-N 1 0 381.270 2.591 20 0 GFADRO C[C@H]([NH2+][C@@H](c1cncc(Br)c1)C1CC1)C(=O)NC[C@H]1CCCO1 ZINC000556515075 564828852 /nfs/dbraw/zinc/82/88/52/564828852.db2.gz NXTVZEIBBOAYOS-IUIKQTSFSA-N 1 0 382.302 2.569 20 0 GFADRO C[C@@H](NC(=O)NCc1ccc(Br)c(F)c1F)[C@H]1CCC[NH2+]C1 ZINC000529332580 564830107 /nfs/dbraw/zinc/83/01/07/564830107.db2.gz NRLXQZVTSGIVMT-ZJUUUORDSA-N 1 0 376.245 2.915 20 0 GFADRO Cc1cc(N2CC[C@H]([NH2+][C@@H](C)Cn3cccn3)C2=O)ccc1Br ZINC000462318519 564833794 /nfs/dbraw/zinc/83/37/94/564833794.db2.gz SIHMNUVJOGTRHN-BBRMVZONSA-N 1 0 377.286 2.738 20 0 GFADRO Cc1cc(Br)cc2c1[C@H]([NH2+]C[C@H]1CC[C@H](C(=O)N(C)C)O1)CC2 ZINC000494597411 564835334 /nfs/dbraw/zinc/83/53/34/564835334.db2.gz VOUXGSITRRGDKJ-BZUAXINKSA-N 1 0 381.314 2.970 20 0 GFADRO C[C@H]1CN(C2CC2)C[C@@H]1[NH2+]CCCNC(=O)c1cccc(Br)c1 ZINC000494631966 564835822 /nfs/dbraw/zinc/83/58/22/564835822.db2.gz KLDFUNOTZHKZNR-GUYCJALGSA-N 1 0 380.330 2.641 20 0 GFADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)NC[C@H](C)[N@@H+]2CCCC[C@@H]2C)c1 ZINC000462441750 564839820 /nfs/dbraw/zinc/83/98/20/564839820.db2.gz PQLJXOGRPPCXEV-STQMWFEESA-N 1 0 388.917 2.668 20 0 GFADRO CNC(=O)C1CC[NH+](Cc2c[nH]nc2-c2ccc(Br)s2)CC1 ZINC000529522358 564840130 /nfs/dbraw/zinc/84/01/30/564840130.db2.gz YWKAKSNYOIYGEG-UHFFFAOYSA-N 1 0 383.315 2.859 20 0 GFADRO CCN(CCCNS(=O)(=O)c1csc(C(=O)OC)c1)c1ccccc1 ZINC000462472376 564842453 /nfs/dbraw/zinc/84/24/53/564842453.db2.gz HWGYGUOKSYAOGJ-UHFFFAOYSA-N 1 0 382.507 2.730 20 0 GFADRO CCCS(=O)(=O)Nc1cc(NC(=O)C2([NH3+])CCCCC2)c(F)cc1F ZINC000494873276 564842629 /nfs/dbraw/zinc/84/26/29/564842629.db2.gz JTFHEKDEFXYMQD-UHFFFAOYSA-N 1 0 375.441 2.717 20 0 GFADRO O=C([C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000494885508 564843051 /nfs/dbraw/zinc/84/30/51/564843051.db2.gz HPYYHZZGHLPSEH-DETPVDSQSA-N 1 0 382.291 2.557 20 0 GFADRO Cc1c2cc(Br)cc(C)c2oc1C(=O)NCCN1CC[NH+](C)CC1 ZINC000494891262 564843132 /nfs/dbraw/zinc/84/31/32/564843132.db2.gz PEBZWQOWDJPLCD-UHFFFAOYSA-N 1 0 394.313 2.789 20 0 GFADRO CC1(C)NC(=O)CC[C@@H]1[NH2+]C[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000494933310 564843877 /nfs/dbraw/zinc/84/38/77/564843877.db2.gz URNMUKVBYFWUIV-CJNGLKHVSA-N 1 0 380.330 2.922 20 0 GFADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)NC[C@H](C)[NH+]2CCC(C)CC2)c1 ZINC000462505988 564844361 /nfs/dbraw/zinc/84/43/61/564844361.db2.gz RRTKROWMCMFNGH-ZDUSSCGKSA-N 1 0 388.917 2.525 20 0 GFADRO COCC[N@H+](C)CCCC1CCN(Cc2c(Br)cnn2C)CC1 ZINC000494935260 564845023 /nfs/dbraw/zinc/84/50/23/564845023.db2.gz XIJBHTWIPXWLPM-UHFFFAOYSA-N 1 0 387.366 2.753 20 0 GFADRO CO[C@H]1CCN(C(=O)c2cc(C)c(Br)c(Cl)c2)[C@@H](C[NH3+])C1 ZINC000582415089 564845453 /nfs/dbraw/zinc/84/54/53/564845453.db2.gz YHMXVGDPBAYMEI-NEPJUHHUSA-N 1 0 375.694 2.989 20 0 GFADRO CS(=O)(=O)CCCCC[NH2+]CCC(=O)Nc1cccc(Br)c1 ZINC000582416429 564845576 /nfs/dbraw/zinc/84/55/76/564845576.db2.gz SBZNYWVXHLKIJX-UHFFFAOYSA-N 1 0 391.331 2.582 20 0 GFADRO CC[N@@H+]1CC[C@@H](CNC(=O)Nc2cccc(C(=O)OC)c2Br)C1 ZINC000495001777 564845918 /nfs/dbraw/zinc/84/59/18/564845918.db2.gz ULVZMUBQCNFQBP-NSHDSACASA-N 1 0 384.274 2.699 20 0 GFADRO COc1cc(Br)c(C[NH2+]CC(C)(C)C(=O)N2CCCC2)cc1O ZINC000529682635 564846803 /nfs/dbraw/zinc/84/68/03/564846803.db2.gz VLIXKUBAGLSIHZ-UHFFFAOYSA-N 1 0 385.302 2.902 20 0 GFADRO C[NH+](C)C1(CNS(=O)(=O)Cc2cccc(Cl)c2)Cc2ccccc2C1 ZINC000582509165 564849349 /nfs/dbraw/zinc/84/93/49/564849349.db2.gz YVXHBFQTHRNZLF-UHFFFAOYSA-N 1 0 378.925 2.859 20 0 GFADRO C[C@@H](NC(=O)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)c1ccc(Br)cc1 ZINC000557014722 564850700 /nfs/dbraw/zinc/85/07/00/564850700.db2.gz OUMWBNYOPRVOKZ-OLZOCXBDSA-N 1 0 398.345 2.719 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CNC(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000495251881 564852964 /nfs/dbraw/zinc/85/29/64/564852964.db2.gz XAJPPUSZZZKZTO-WBVHZDCISA-N 1 0 395.345 2.811 20 0 GFADRO C[NH+](C)CCN(Cc1cc(Br)c2c(c1)OCCO2)C[C@H]1CCCO1 ZINC000582633329 564855771 /nfs/dbraw/zinc/85/57/71/564855771.db2.gz ONIPTHJCNURMLC-OAHLLOKOSA-N 1 0 399.329 2.763 20 0 GFADRO CC1([NH+]2CCOCC2)CCN(C(=O)c2cc(Br)ccc2F)CC1 ZINC000529912533 564856290 /nfs/dbraw/zinc/85/62/90/564856290.db2.gz RXJGKNHVQRIQCG-UHFFFAOYSA-N 1 0 385.277 2.915 20 0 GFADRO CN(CC[NH2+]Cc1cc(O)cc(C(F)(F)F)c1)S(=O)(=O)c1cccs1 ZINC000582694746 564857336 /nfs/dbraw/zinc/85/73/36/564857336.db2.gz FSVSNBIELQUNLA-UHFFFAOYSA-N 1 0 394.440 2.883 20 0 GFADRO CC(C)[C@@H](Oc1ccccc1Br)C(=O)N[C@@H](CC[NH3+])C(F)F ZINC000582724790 564858710 /nfs/dbraw/zinc/85/87/10/564858710.db2.gz HDFXPCREBLHMPQ-WCQYABFASA-N 1 0 379.245 2.951 20 0 GFADRO CC[NH+]1CCC(CNS(=O)(=O)c2cc(Cl)ccc2OC(F)F)CC1 ZINC000582718928 564859002 /nfs/dbraw/zinc/85/90/02/564859002.db2.gz ULLNVUCUAXEMKP-UHFFFAOYSA-N 1 0 382.860 2.952 20 0 GFADRO CC(C)(CNC(=O)C(=O)NCC1CC[NH2+]CC1)c1c(Cl)cccc1Cl ZINC000557279768 564859444 /nfs/dbraw/zinc/85/94/44/564859444.db2.gz PJVWLFROCLDBBJ-UHFFFAOYSA-N 1 0 386.323 2.503 20 0 GFADRO O=C(NC[C@H]1CC[N@@H+]1C1CCCC1)c1cc(Br)cc2[nH]c(=O)[nH]c21 ZINC000530026423 564860313 /nfs/dbraw/zinc/86/03/13/564860313.db2.gz IEWLSBVFIMYMJI-GFCCVEGCSA-N 1 0 393.285 2.778 20 0 GFADRO COCCn1ccc(C(=O)N[C@@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)n1 ZINC000530032054 564860499 /nfs/dbraw/zinc/86/04/99/564860499.db2.gz FFQSTJSZVOIMHQ-INIZCTEOSA-N 1 0 385.295 2.869 20 0 GFADRO C[NH+](C)C[C@@H](NC(=O)[C@H]1CCCc2nn[nH]c21)c1ccc(Cl)c(Cl)c1 ZINC000530034732 564860520 /nfs/dbraw/zinc/86/05/20/564860520.db2.gz XHYWIJXIPRWLFU-XHDPSFHLSA-N 1 0 382.295 2.951 20 0 GFADRO O=C(Nc1cccc(Oc2ncc(Br)cn2)c1)N[C@H]1CCC[NH2+]C1 ZINC000582773648 564860638 /nfs/dbraw/zinc/86/06/38/564860638.db2.gz ZEFOSRSWYDWMKR-ZDUSSCGKSA-N 1 0 392.257 2.905 20 0 GFADRO C[NH+](C)C[C@H](NC(=O)[C@@H]1CCc2nncn2C1)c1ccc(Cl)c(Cl)c1 ZINC000530035057 564861394 /nfs/dbraw/zinc/86/13/94/564861394.db2.gz YIRBQPAJSZFYEA-DOMZBBRYSA-N 1 0 382.295 2.566 20 0 GFADRO CCS(=O)(=O)c1ccc(C[NH2+]C[C@H](O)COc2cc(C)ccc2C)s1 ZINC000582780792 564861743 /nfs/dbraw/zinc/86/17/43/564861743.db2.gz HCBQJWZVNGFECY-HNNXBMFYSA-N 1 0 383.535 2.688 20 0 GFADRO C[C@H]1CN(S(=O)(=O)c2c(Cl)cc(F)cc2Br)CC[C@H]1[NH3+] ZINC000497358182 564865754 /nfs/dbraw/zinc/86/57/54/564865754.db2.gz NOYSTDWPECJAJI-WRWORJQWSA-N 1 0 385.686 2.599 20 0 GFADRO CCO[C@H]1C[C@](CO)([NH2+]Cc2cccc(I)c2)C1(C)C ZINC000582908557 564867503 /nfs/dbraw/zinc/86/75/03/564867503.db2.gz WBSAGQLJVNZLIK-GOEBONIOSA-N 1 0 389.277 2.947 20 0 GFADRO C[C@H]1C[N@H+](C)C[C@H]1c1nc(Cc2cc3c(cc2Br)OCO3)no1 ZINC000463047412 564868059 /nfs/dbraw/zinc/86/80/59/564868059.db2.gz DXTZGGAPEZZSNE-GXSJLCMTSA-N 1 0 380.242 2.817 20 0 GFADRO Cc1ccc(Br)cc1S(=O)(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000582964415 564870215 /nfs/dbraw/zinc/87/02/15/564870215.db2.gz OZHBUGUZJBKHNB-JOCQHMNTSA-N 1 0 375.332 2.801 20 0 GFADRO CC[NH2+]CCCNC(=O)NCC1(c2ccc(Br)cc2)CCOCC1 ZINC000583013157 564872610 /nfs/dbraw/zinc/87/26/10/564872610.db2.gz GTIXQEBZLWHEFK-UHFFFAOYSA-N 1 0 398.345 2.796 20 0 GFADRO Brc1cc2c(cc1CN1CCC(CO[C@H]3CC[NH2+]C3)CC1)OCO2 ZINC000530244239 564873013 /nfs/dbraw/zinc/87/30/13/564873013.db2.gz ZUBJOPZWUNMYIU-HNNXBMFYSA-N 1 0 397.313 2.768 20 0 GFADRO CN(C)Cc1ccc(NC(=O)C2(C(=O)NC3CC3)CCC2)cc1Br ZINC000530334206 564876943 /nfs/dbraw/zinc/87/69/43/564876943.db2.gz XUXAUACEJHSWMV-UHFFFAOYSA-N 1 0 394.313 2.898 20 0 GFADRO C[N@H+](CCNS(=O)(=O)c1c(F)cccc1OC(F)(F)F)C1CCCC1 ZINC000557812412 564877989 /nfs/dbraw/zinc/87/79/89/564877989.db2.gz UHKKTCNDQQKRIR-UHFFFAOYSA-N 1 0 384.395 2.877 20 0 GFADRO O=S(=O)(Cc1ccccc1Br)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000557825023 564878620 /nfs/dbraw/zinc/87/86/20/564878620.db2.gz RWQXBAYZHUCSEL-CQSZACIVSA-N 1 0 387.343 2.697 20 0 GFADRO CC[N@H+](C[C@H](C)OC)[C@H](C)C(=O)Nc1ccc(I)cc1 ZINC000463419364 564879948 /nfs/dbraw/zinc/87/99/48/564879948.db2.gz VHOJVPAETQJERI-NWDGAFQWSA-N 1 0 390.265 2.975 20 0 GFADRO COC(=O)c1cccc(Cc2cnc(NC(=O)[C@H]([NH3+])CCSC)s2)c1 ZINC000497940961 564880143 /nfs/dbraw/zinc/88/01/43/564880143.db2.gz ZMQHBAOTFHKUGV-CQSZACIVSA-N 1 0 379.507 2.539 20 0 GFADRO C[C@H](C1CC[NH+](C)CC1)N(C)S(=O)(=O)Cc1ccccc1Br ZINC000557835037 564880235 /nfs/dbraw/zinc/88/02/35/564880235.db2.gz WRZZZPYISXSROL-CYBMUJFWSA-N 1 0 389.359 2.941 20 0 GFADRO O=C(Nc1cccc(Br)c1)C1CCN(C(=O)C2CC[NH2+]CC2)CC1 ZINC000497953358 564881374 /nfs/dbraw/zinc/88/13/74/564881374.db2.gz ZGXWDLULIXUKQD-UHFFFAOYSA-N 1 0 394.313 2.626 20 0 GFADRO CC(C)C[C@@]1(CO)CCC[N@@H+]1Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000530447113 564882723 /nfs/dbraw/zinc/88/27/23/564882723.db2.gz GHSFDMKVLNZQRT-GOSISDBHSA-N 1 0 394.313 2.830 20 0 GFADRO C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000497983378 564883077 /nfs/dbraw/zinc/88/30/77/564883077.db2.gz CBAWIVWMYZLBCN-MLGOLLRUSA-N 1 0 379.913 2.939 20 0 GFADRO CN(C1CC[NH2+]CC1)S(=O)(=O)c1ccc2ccccc2c1Br ZINC000583262869 564883168 /nfs/dbraw/zinc/88/31/68/564883168.db2.gz SKTSUUCNTQFOFU-UHFFFAOYSA-N 1 0 383.311 2.975 20 0 GFADRO CC(C)[N@@H+]1CC[C@H](CNC(=O)N2CCC(n3cc(Br)cn3)CC2)C1 ZINC000557913527 564884276 /nfs/dbraw/zinc/88/42/76/564884276.db2.gz KWHHMVCEUJCONX-CQSZACIVSA-N 1 0 398.349 2.722 20 0 GFADRO C[C@@H](O)[C@@H]1CCC[N@H+](Cc2ccc(Br)cc2N2CCOCC2)C1 ZINC000530494619 564884885 /nfs/dbraw/zinc/88/48/85/564884885.db2.gz DTVSXSPTCVGDNM-HUUCEWRRSA-N 1 0 383.330 2.879 20 0 GFADRO CCCc1c(C(=O)NC[C@@H]([NH3+])CC)nnn1Cc1cccc(Br)c1 ZINC000583321663 564886538 /nfs/dbraw/zinc/88/65/38/564886538.db2.gz XZULPWCTZQUFLB-AWEZNQCLSA-N 1 0 394.317 2.509 20 0 GFADRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)Cc1ccc(I)cc1 ZINC000558010942 564888238 /nfs/dbraw/zinc/88/82/38/564888238.db2.gz ADWJFVUQIRSWLB-XJKSGUPXSA-N 1 0 398.288 2.919 20 0 GFADRO CC[C@@H](C(=O)NCc1cc(Br)c2c(c1)OCCO2)[NH+](CC)CC ZINC000530571487 564888449 /nfs/dbraw/zinc/88/84/49/564888449.db2.gz YEHNDAGRTMBROI-AWEZNQCLSA-N 1 0 385.302 2.957 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)N1CC[N@H+](C[C@@H](C)O)C[C@H]1C ZINC000498128330 564889744 /nfs/dbraw/zinc/88/97/44/564889744.db2.gz APMMGXWGLBFULY-CHWSQXEVSA-N 1 0 384.318 2.930 20 0 GFADRO CC[C@H](C)[N@H+](CCO)CC(=O)Nc1c(Cl)cc(Cl)cc1C(=O)OC ZINC000558146858 564893664 /nfs/dbraw/zinc/89/36/64/564893664.db2.gz PLWWAUWYPDDPSC-JTQLQIEISA-N 1 0 377.268 2.811 20 0 GFADRO CC[NH+]1CCC(N(C)Cc2cn(-c3ccccc3Br)nn2)CC1 ZINC000583536827 564895997 /nfs/dbraw/zinc/89/59/97/564895997.db2.gz DKVKWFGREQSWGK-UHFFFAOYSA-N 1 0 378.318 2.946 20 0 GFADRO COCc1nc2n(n1)C[C@H]([NH2+][C@H](C)c1ccc(Br)c(F)c1)CC2 ZINC000583516156 564896026 /nfs/dbraw/zinc/89/60/26/564896026.db2.gz MVHCUGJYOYVNRX-ZYHUDNBSSA-N 1 0 383.265 2.992 20 0 GFADRO CCOc1ccc(Cl)cc1[C@H](C)[NH2+][C@@H]1CCCN(S(=O)(=O)N(C)C)C1 ZINC000558255258 564896486 /nfs/dbraw/zinc/89/64/86/564896486.db2.gz LEDHWCDNFLUGAO-DZGCQCFKSA-N 1 0 389.949 2.660 20 0 GFADRO CCOCCOc1ccc(Br)cc1C[NH2+][C@@H]1CCC[C@@H]1C(=O)NC ZINC000498358940 564896867 /nfs/dbraw/zinc/89/68/67/564896867.db2.gz KVJXUVZNNVSYHS-JKSUJKDBSA-N 1 0 399.329 2.869 20 0 GFADRO CCOc1c(Br)cc(C[NH2+][C@H]2CCC[C@@H]2C(=O)NC)cc1OC ZINC000498375978 564897670 /nfs/dbraw/zinc/89/76/70/564897670.db2.gz RTYYAPIQKFPKML-JSGCOSHPSA-N 1 0 385.302 2.861 20 0 GFADRO C[C@H](CCO)C1(C[NH2+]C[C@@H](O)COc2cccc(Br)c2)CCC1 ZINC000583631386 564900470 /nfs/dbraw/zinc/90/04/70/564900470.db2.gz VLQFRXOHJPOLGN-GDBMZVCRSA-N 1 0 386.330 2.967 20 0 GFADRO CC[N@@H+]1C[C@H](C)N(C(=O)c2csc(I)c2)C[C@@H]1C ZINC000498554915 564901920 /nfs/dbraw/zinc/90/19/20/564901920.db2.gz IWPBXSBDSYFMIO-UWVGGRQHSA-N 1 0 378.279 2.907 20 0 GFADRO CC[N@@H+]1C[C@H](C)N(C(=O)c2cc(I)ccc2F)C[C@@H]1C ZINC000498567026 564902714 /nfs/dbraw/zinc/90/27/14/564902714.db2.gz LAXWGOFFXRHPBG-QWRGUYRKSA-N 1 0 390.240 2.985 20 0 GFADRO CC(C)(C)[C@H]1CC[N@H+](Cc2cc(=O)n3cc(Br)ccc3n2)C[C@H]1O ZINC000583720055 564904573 /nfs/dbraw/zinc/90/45/73/564904573.db2.gz OWXZLJNVOBZLGN-LSDHHAIUSA-N 1 0 394.313 2.686 20 0 GFADRO CC[NH+](CC)CCNC(=O)[C@H]1CCCN1C(=O)c1ccc(Br)cc1 ZINC000498672089 564905056 /nfs/dbraw/zinc/90/50/56/564905056.db2.gz LPTMNAKOBSASEG-MRXNPFEDSA-N 1 0 396.329 2.512 20 0 GFADRO C[C@H]1CC[N@H+](C)CCN1C(=O)[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000498705642 564905971 /nfs/dbraw/zinc/90/59/71/564905971.db2.gz ITLZVORXPISJFR-JSGCOSHPSA-N 1 0 384.307 2.899 20 0 GFADRO C[C@@H]1CC[N@H+](C)CCN1C(=O)[C@@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1 ZINC000498708657 564906151 /nfs/dbraw/zinc/90/61/51/564906151.db2.gz VXROATBVQTWUMW-CHWSQXEVSA-N 1 0 384.307 2.899 20 0 GFADRO CCCC(=O)N1CSC[C@@H]1C(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000531306232 564906632 /nfs/dbraw/zinc/90/66/32/564906632.db2.gz KVYMDOLGCPDGIF-JKSUJKDBSA-N 1 0 383.945 2.761 20 0 GFADRO COc1ccc(Br)cc1C(=O)CCC(=O)N1CC[N@H+](C)CC[C@H]1C ZINC000498737301 564906983 /nfs/dbraw/zinc/90/69/83/564906983.db2.gz NMYSOTJPTKCACV-CYBMUJFWSA-N 1 0 397.313 2.973 20 0 GFADRO O=C(Nc1cc(Cl)ccc1C(F)(F)F)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000498753757 564907983 /nfs/dbraw/zinc/90/79/83/564907983.db2.gz QZRMOLOGVWKEFM-SNVBAGLBSA-N 1 0 375.778 2.650 20 0 GFADRO C[C@]([NH3+])(C(=O)NCCc1cnc(C2CC2)nc1)c1ccc(Br)cc1 ZINC000583810872 564908978 /nfs/dbraw/zinc/90/89/78/564908978.db2.gz NBVPPDAVCZGHAJ-GOSISDBHSA-N 1 0 389.297 2.649 20 0 GFADRO CC[N@@H+]1CCN(c2ncnc3cccc(I)c32)[C@H](C)C1 ZINC000583819049 564909017 /nfs/dbraw/zinc/90/90/17/564909017.db2.gz HTFQRXJASHRULC-LLVKDONJSA-N 1 0 382.249 2.765 20 0 GFADRO C[C@@H](C1CC[NH+](C)CC1)N(C)S(=O)(=O)c1cccc(Br)c1 ZINC000498883985 564911582 /nfs/dbraw/zinc/91/15/82/564911582.db2.gz OAVCCSQXGBZQAO-LBPRGKRZSA-N 1 0 375.332 2.800 20 0 GFADRO COC(=O)C[C@@]1([NH2+]CCCc2ccc(Br)cc2OC)CCOC1 ZINC000464628801 564913563 /nfs/dbraw/zinc/91/35/63/564913563.db2.gz ZKEPJKOPQFBQEQ-KRWDZBQOSA-N 1 0 386.286 2.702 20 0 GFADRO CO[C@H]1CCN(C(=O)COc2cc(Cl)c(Cl)cc2Cl)[C@H](C[NH3+])C1 ZINC000583989014 564915071 /nfs/dbraw/zinc/91/50/71/564915071.db2.gz TZRTXKNUFIBXNW-UWVGGRQHSA-N 1 0 381.687 2.990 20 0 GFADRO O[C@@H](C[NH2+]C[C@@H]1CCN(CC(F)(F)F)C1)COCc1ccccc1Cl ZINC000583989074 564915401 /nfs/dbraw/zinc/91/54/01/564915401.db2.gz AVYFSTHZQYXGON-ZFWWWQNUSA-N 1 0 380.838 2.691 20 0 GFADRO CN1CCN(c2ncc(C[NH2+]CCc3cccc(Cl)c3Cl)cn2)CC1 ZINC000531631646 564915893 /nfs/dbraw/zinc/91/58/93/564915893.db2.gz HSTVAJOCNIYDHP-UHFFFAOYSA-N 1 0 380.323 2.868 20 0 GFADRO C[C@@H](O)[C@@H]([NH2+][C@H](C)Cn1cc(Br)ccc1=O)c1ccccc1F ZINC000583999028 564916292 /nfs/dbraw/zinc/91/62/92/564916292.db2.gz SLXBUNVCOWACBO-PSTGCABASA-N 1 0 383.261 2.850 20 0 GFADRO COCCOC[C@@H]1CC[N@H+](CC(=O)NCCc2cccc(Cl)c2Cl)C1 ZINC000464743839 564917226 /nfs/dbraw/zinc/91/72/26/564917226.db2.gz YYGZAGONHUHNRM-CQSZACIVSA-N 1 0 389.323 2.637 20 0 GFADRO O=C(CC[N@@H+]1CCC[C@]2(CNC(=O)C2)C1)Nc1ccc(Br)cc1F ZINC000464796358 564918817 /nfs/dbraw/zinc/91/88/17/564918817.db2.gz BCBSGKFVHUDBSQ-KRWDZBQOSA-N 1 0 398.276 2.519 20 0 GFADRO COCC(=O)N1CCC([NH2+][C@H](C)Cc2ccc(Br)c(F)c2)CC1 ZINC000531717552 564919146 /nfs/dbraw/zinc/91/91/46/564919146.db2.gz YMIOFABPGIRONE-GFCCVEGCSA-N 1 0 387.293 2.746 20 0 GFADRO COC(=O)c1cc(NC(=O)N(C)CCC[NH+](C)C)cc(Br)c1F ZINC000584090848 564920020 /nfs/dbraw/zinc/92/00/20/564920020.db2.gz PEZAXMUMDRMQTN-UHFFFAOYSA-N 1 0 390.253 2.790 20 0 GFADRO O=C(NCCCn1cc(Br)cn1)Nc1cccc2c1CC[NH2+]C2 ZINC000584161043 564923551 /nfs/dbraw/zinc/92/35/51/564923551.db2.gz PNEKKPFRGQKVOK-UHFFFAOYSA-N 1 0 378.274 2.503 20 0 GFADRO C[C@H](C[NH2+]CCS(=O)(=O)c1ccc(F)cc1)N1CCc2sccc2C1 ZINC000584212072 564924980 /nfs/dbraw/zinc/92/49/80/564924980.db2.gz DMQGQDXSRSUTET-CQSZACIVSA-N 1 0 382.526 2.697 20 0 GFADRO C[NH+](C)CCN(Cc1cccs1)C(=O)C(=O)Nc1nc(C2CC2)cs1 ZINC000499381700 564925511 /nfs/dbraw/zinc/92/55/11/564925511.db2.gz JMXGVBSMCGZNBN-UHFFFAOYSA-N 1 0 378.523 2.611 20 0 GFADRO C[C@H](CC[NH+](C)C)NC(=O)NCCOc1ncc(C(F)(F)F)cc1Cl ZINC000465794339 564932014 /nfs/dbraw/zinc/93/20/14/564932014.db2.gz XVIDAPLOLRMRET-SNVBAGLBSA-N 1 0 382.814 2.772 20 0 GFADRO CCC[NH+]1CCC(CNC(=O)c2ccc(Cl)c(NS(C)(=O)=O)c2)CC1 ZINC000499684107 564933201 /nfs/dbraw/zinc/93/32/01/564933201.db2.gz XFRKGNNJINZDQY-UHFFFAOYSA-N 1 0 387.933 2.563 20 0 GFADRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1ccc(-n2cc(Br)cn2)cc1 ZINC000532331815 564935073 /nfs/dbraw/zinc/93/50/73/564935073.db2.gz RCDINVIVNMQNIZ-YVEFUNNKSA-N 1 0 389.297 2.847 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@@H](C)Oc1ccc(Br)cc1 ZINC000466014610 564935313 /nfs/dbraw/zinc/93/53/13/564935313.db2.gz ZGAJYBWGEFVSBO-UKRRQHHQSA-N 1 0 384.318 3.000 20 0 GFADRO C[C@H](CNC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1)Oc1cccc(Br)c1 ZINC000466303517 564937443 /nfs/dbraw/zinc/93/74/43/564937443.db2.gz VAIUSBYAOVNXIN-GDBMZVCRSA-N 1 0 394.313 2.872 20 0 GFADRO CC(C)[NH+]1CCN(C(=O)NC[C@@H](C)Oc2cccc(Br)c2)CC1 ZINC000466308773 564937779 /nfs/dbraw/zinc/93/77/79/564937779.db2.gz SIIMPFXPYFZVFA-CQSZACIVSA-N 1 0 384.318 2.952 20 0 GFADRO CC[N@@H+]1CCCN(C(=O)CCC(=O)c2cc(Br)ccc2OC)CC1 ZINC000499828254 564937866 /nfs/dbraw/zinc/93/78/66/564937866.db2.gz OOIBFAHAWKGDRR-UHFFFAOYSA-N 1 0 397.313 2.975 20 0 GFADRO C[C@@H](CNC(=O)N1CC[NH+](CC2CC2)CC1)Oc1ccc(Br)cc1 ZINC000466371187 564938722 /nfs/dbraw/zinc/93/87/22/564938722.db2.gz WOMSTBNBAYKWQJ-AWEZNQCLSA-N 1 0 396.329 2.954 20 0 GFADRO CNC(=O)[C@H](Cc1c[nH]c2ccccc12)[NH2+]Cc1cncc(Br)c1 ZINC000466376334 564939142 /nfs/dbraw/zinc/93/91/42/564939142.db2.gz GWAGLCMFPVWHPW-KRWDZBQOSA-N 1 0 387.281 2.772 20 0 GFADRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)CCOc1cccc(Br)c1 ZINC000499917503 564940230 /nfs/dbraw/zinc/94/02/30/564940230.db2.gz GILCEVJDFCAOBW-QGZVFWFLSA-N 1 0 399.329 2.787 20 0 GFADRO Cc1cc(NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC3)C2)c(F)cc1Br ZINC000499917822 564940430 /nfs/dbraw/zinc/94/04/30/564940430.db2.gz VCRLLBVBGPDRHU-GFCCVEGCSA-N 1 0 398.276 2.530 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NCc2c(Cl)cccc2Cl)[C@H](C)C1 ZINC000559800163 564940710 /nfs/dbraw/zinc/94/07/10/564940710.db2.gz DLVYMTOLWODMLL-MLGOLLRUSA-N 1 0 386.323 2.798 20 0 GFADRO COc1ccc(Br)cc1CNC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000532638171 564941536 /nfs/dbraw/zinc/94/15/36/564941536.db2.gz COVDRFIQVUQWLD-CABCVRRESA-N 1 0 382.302 2.884 20 0 GFADRO C[C@@H](CNC(=O)C(=O)NCCc1cc(Cl)cc(Cl)c1)C[NH+]1CCCC1 ZINC000560014818 564944572 /nfs/dbraw/zinc/94/45/72/564944572.db2.gz FJLUIRJRPDDYBB-ZDUSSCGKSA-N 1 0 386.323 2.500 20 0 GFADRO CC[C@@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1cc2c(cc1Cl)OCCO2 ZINC000500102845 564945357 /nfs/dbraw/zinc/94/53/57/564945357.db2.gz PCQUMEMITHPIIK-CYBMUJFWSA-N 1 0 388.917 2.654 20 0 GFADRO CC[N@@H+]1C[C@@H](C)N(C(=O)c2ccc(Br)cc2-n2cncn2)C[C@@H]1C ZINC000500122170 564946129 /nfs/dbraw/zinc/94/61/29/564946129.db2.gz NZIRFEAIXZZGBI-QWHCGFSZSA-N 1 0 392.301 2.585 20 0 GFADRO Cc1ncc(S(=O)(=O)NC2[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)s1 ZINC000532853766 564947493 /nfs/dbraw/zinc/94/74/93/564947493.db2.gz AYGXWOBWZGEAAN-KBPBESRZSA-N 1 0 379.551 2.886 20 0 GFADRO COc1ccc(Br)cc1CNC(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000532860666 564948415 /nfs/dbraw/zinc/94/84/15/564948415.db2.gz HJYRFZGSMNIQGY-CYBMUJFWSA-N 1 0 384.318 2.989 20 0 GFADRO C[NH+](C)[C@H]1CCN(c2ccc(NC(=O)COc3ccsc3Cl)nc2)C1 ZINC000560108772 564950288 /nfs/dbraw/zinc/95/02/88/564950288.db2.gz ZOXOJBCCBRMQAY-ZDUSSCGKSA-N 1 0 380.901 2.954 20 0 GFADRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1ccc(I)c(F)c1 ZINC000467027488 564953746 /nfs/dbraw/zinc/95/37/46/564953746.db2.gz YEZKUMJUAYZVOY-OTYXRUKQSA-N 1 0 388.224 2.643 20 0 GFADRO Cc1cc(C[NH2+][C@H]2CCC[C@@H]2CNS(C)(=O)=O)ccc1Br ZINC000500492840 564955132 /nfs/dbraw/zinc/95/51/32/564955132.db2.gz BWKCHVINWZYKDD-HIFRSBDPSA-N 1 0 375.332 2.565 20 0 GFADRO C[N@H+](Cc1cc2c(c(Br)c1)OCO2)CC(C)(C)CN1CCOCC1 ZINC000533100990 564955342 /nfs/dbraw/zinc/95/53/42/564955342.db2.gz XXHQKLZHWCOYLW-UHFFFAOYSA-N 1 0 399.329 2.968 20 0 GFADRO COCCN1CCC([NH2+]Cc2ccc(I)c(C)c2)CC1 ZINC000467382446 564962003 /nfs/dbraw/zinc/96/20/03/564962003.db2.gz OZLHLJPTUUMJDW-UHFFFAOYSA-N 1 0 388.293 2.800 20 0 GFADRO NS(=O)(=O)C[C@H]1CCC[N@@H+]1CCCCOc1ccccc1C(F)(F)F ZINC000533392840 564962308 /nfs/dbraw/zinc/96/23/08/564962308.db2.gz SNIHFGWYGRSKOW-CYBMUJFWSA-N 1 0 380.432 2.617 20 0 GFADRO CN(CC[N@H+](C)C1CC1)C(=O)c1ccn(-c2ccc(Br)cc2)n1 ZINC000500788880 564962397 /nfs/dbraw/zinc/96/23/97/564962397.db2.gz ZAWUCGOUVYOFQK-UHFFFAOYSA-N 1 0 377.286 2.801 20 0 GFADRO CCO[C@H]1C[C@@H]([NH2+]CCCNS(=O)(=O)c2ccccc2Cl)C12CCC2 ZINC000467414067 564962456 /nfs/dbraw/zinc/96/24/56/564962456.db2.gz QMPXDVOGUNYQDU-SJORKVTESA-N 1 0 386.945 2.946 20 0 GFADRO C[C@@H](O)C[N@H+](Cc1cc(=O)n2cc(Br)ccc2n1)C1CCCCC1 ZINC000533420980 564962398 /nfs/dbraw/zinc/96/23/98/564962398.db2.gz BZDWNRHIOLCHGB-CYBMUJFWSA-N 1 0 394.313 2.973 20 0 GFADRO C[C@H](CC(=O)OC(C)(C)C)[NH2+]CCCNS(=O)(=O)c1ccccc1Cl ZINC000467415764 564962544 /nfs/dbraw/zinc/96/25/44/564962544.db2.gz CPRLIRMSOZSDMH-CYBMUJFWSA-N 1 0 390.933 2.718 20 0 GFADRO COc1ccc(Br)cc1C(=O)N1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000533478477 564963856 /nfs/dbraw/zinc/96/38/56/564963856.db2.gz YPDVEVFCFLBVER-YSVLISHTSA-N 1 0 397.313 2.781 20 0 GFADRO CCC[C@@H](C)C(=O)NCC[NH2+]Cc1ccc(C(=O)OC)cc1Br ZINC000560554583 564967553 /nfs/dbraw/zinc/96/75/53/564967553.db2.gz AIFQRUDMPKDIJD-GFCCVEGCSA-N 1 0 385.302 2.878 20 0 GFADRO C[N@H+](CCOc1ccc(S(N)(=O)=O)cc1)CCSCc1ccccc1 ZINC000560556233 564967577 /nfs/dbraw/zinc/96/75/77/564967577.db2.gz JTOZMJFYQRZJPO-UHFFFAOYSA-N 1 0 380.535 2.578 20 0 GFADRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1cc(=O)[nH]c2c(Br)cccc12 ZINC000467712048 564970351 /nfs/dbraw/zinc/97/03/51/564970351.db2.gz AVQXWMZRHVRUER-BONVTDFDSA-N 1 0 390.281 2.915 20 0 GFADRO COC(=O)c1ccc(S(=O)(=O)NCCC[NH+](C(C)C)C(C)C)c(Cl)c1 ZINC000467783104 564972695 /nfs/dbraw/zinc/97/26/95/564972695.db2.gz KYLVJZXAUFWIOI-UHFFFAOYSA-N 1 0 390.933 2.914 20 0 GFADRO Cc1nc([C@@H]2CCN(CC(=O)Nc3ccc(Br)cc3C)C2)n[nH]1 ZINC000560718104 564972890 /nfs/dbraw/zinc/97/28/90/564972890.db2.gz ISFBCJCTAIWSMC-GFCCVEGCSA-N 1 0 378.274 2.612 20 0 GFADRO C[NH+](C)CC1CCN(S(=O)(=O)c2ccc(F)c(Br)c2)CC1 ZINC000501189060 564973120 /nfs/dbraw/zinc/97/31/20/564973120.db2.gz VHZBQGLICHFVPR-UHFFFAOYSA-N 1 0 379.295 2.551 20 0 GFADRO O=C(NCCNc1cc[nH+]cc1)N[C@@H]1CCc2c1cccc2Br ZINC000533812588 564973532 /nfs/dbraw/zinc/97/35/32/564973532.db2.gz UZXCMCWSPISNEX-MRXNPFEDSA-N 1 0 375.270 2.665 20 0 GFADRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)Cc1ccccc1I ZINC000560760337 564974853 /nfs/dbraw/zinc/97/48/53/564974853.db2.gz MYERNPIMWHAAOH-HIFRSBDPSA-N 1 0 398.288 2.919 20 0 GFADRO CS(=O)(=O)NCCC[NH2+][C@@H]1CCc2c1cc(Br)cc2Cl ZINC000534059666 564978796 /nfs/dbraw/zinc/97/87/96/564978796.db2.gz QRPQRZPUNJANCA-CYBMUJFWSA-N 1 0 381.723 2.619 20 0 GFADRO CS[C@@H]1CN(C(=O)[C@@H](C)Oc2ccccc2C(F)(F)F)C[C@@H]1[NH+](C)C ZINC000534093590 564979392 /nfs/dbraw/zinc/97/93/92/564979392.db2.gz WQYWXZGFFOMDCY-OSAQELSMSA-N 1 0 376.444 2.977 20 0 GFADRO CC[N@H+](CCNC(=O)C(=O)NC[C@@H](C)c1c(Cl)cccc1Cl)C1CC1 ZINC000561012575 564980996 /nfs/dbraw/zinc/98/09/96/564980996.db2.gz JLDAHZJGLDQZFC-GFCCVEGCSA-N 1 0 386.323 2.814 20 0 GFADRO CC[N@H+](CCNC(=O)C(=O)NCCCc1ccc(Cl)cc1Cl)C1CC1 ZINC000561013600 564981164 /nfs/dbraw/zinc/98/11/64/564981164.db2.gz QHAXJOBDJRFSNG-UHFFFAOYSA-N 1 0 386.323 2.643 20 0 GFADRO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)c1cncc(I)c1 ZINC000468474748 564984204 /nfs/dbraw/zinc/98/42/04/564984204.db2.gz JDHAHCBOXDDDAD-CYBMUJFWSA-N 1 0 387.265 2.536 20 0 GFADRO O=C(NCCNc1cc[nH+]cc1)NCc1cc2cc(Br)ccc2[nH]1 ZINC000468504972 564985122 /nfs/dbraw/zinc/98/51/22/564985122.db2.gz MBPFEXXSDWGGKE-UHFFFAOYSA-N 1 0 388.269 2.659 20 0 GFADRO CC[NH+](CC)CCSCC(=O)N1CSC[C@H]1C(=O)Nc1ccccc1 ZINC000468557556 564986580 /nfs/dbraw/zinc/98/65/80/564986580.db2.gz ZCFZOPBHZBTFPA-INIZCTEOSA-N 1 0 381.567 2.602 20 0 GFADRO CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)NCC1=CC[NH2+]CC1 ZINC000561193883 564986893 /nfs/dbraw/zinc/98/68/93/564986893.db2.gz RZUJEMNSJLTEMB-LRDDRELGSA-N 1 0 382.302 2.744 20 0 GFADRO CO[C@@H](c1ccc(Br)cc1)[C@H](C)NC(=O)NCC1=CC[NH2+]CC1 ZINC000561193882 564987215 /nfs/dbraw/zinc/98/72/15/564987215.db2.gz RZUJEMNSJLTEMB-BLLLJJGKSA-N 1 0 382.302 2.744 20 0 GFADRO C[NH+]1CCC([C@H]2CCN(S(=O)(=O)c3cccc(Br)c3)C2)CC1 ZINC000534408160 564988331 /nfs/dbraw/zinc/98/83/31/564988331.db2.gz HGCXUTUKFUNFFG-AWEZNQCLSA-N 1 0 387.343 2.802 20 0 GFADRO CCC[N@H+](C)CC(=O)Nc1cc(Br)cc(C(=O)N2CCCC2)c1 ZINC000468736203 564992074 /nfs/dbraw/zinc/99/20/74/564992074.db2.gz UYHONEDPLQOYQV-UHFFFAOYSA-N 1 0 382.302 2.965 20 0 GFADRO CC[NH+](CC)CCS(=O)(=O)N(C)Cc1ccc(Br)c(F)c1 ZINC000561400506 564994019 /nfs/dbraw/zinc/99/40/19/564994019.db2.gz SUQVTZJOQSTFHB-UHFFFAOYSA-N 1 0 381.311 2.692 20 0 GFADRO CS[C@@H]1CN(C(=O)Cc2ccc(F)c(Br)c2)C[C@H]1[NH+](C)C ZINC000534829760 564997876 /nfs/dbraw/zinc/99/78/76/564997876.db2.gz TYTQEAZSWYKDKU-ZIAGYGMSSA-N 1 0 375.307 2.635 20 0 GFADRO CS[C@@H]1CN(CC(=O)Nc2ccc(OC(F)(F)F)cc2)C[C@@H]1[NH+](C)C ZINC000534951713 565000628 /nfs/dbraw/zinc/00/06/28/565000628.db2.gz INXDODOBWAJBAE-UONOGXRCSA-N 1 0 377.432 2.501 20 0 GFADRO O=C1C[C@H]([C@H]2CCCC[N@H+]2C[C@H](O)COc2ccc(Cl)cc2Cl)CN1 ZINC000535014817 565002203 /nfs/dbraw/zinc/00/22/03/565002203.db2.gz CPDLBLVDWGFEBP-DUVNUKRYSA-N 1 0 387.307 2.724 20 0 GFADRO Cc1csc(C(=O)N(C)CC[NH+]2CCCC2)c1I ZINC000469010583 565002713 /nfs/dbraw/zinc/00/27/13/565002713.db2.gz QGAWWRAXOGBXIP-UHFFFAOYSA-N 1 0 378.279 2.829 20 0 GFADRO CC[N@@H+]1C[C@H](C)N(C(=O)c2cccc(F)c2I)C[C@H]1C ZINC000535028683 565003150 /nfs/dbraw/zinc/00/31/50/565003150.db2.gz HBNSAEZPSFUJSI-MNOVXSKESA-N 1 0 390.240 2.985 20 0 GFADRO C[N@H+](CC(=O)NCCC(=O)Nc1cc(Cl)cc(Cl)c1)[C@@H]1CCSC1 ZINC000561600696 565003607 /nfs/dbraw/zinc/00/36/07/565003607.db2.gz IHYMSBCUXWKGKC-CQSZACIVSA-N 1 0 390.336 2.876 20 0 GFADRO C[C@H](CC[NH+](C)C)NC(=O)CCOc1ccccc1I ZINC000469061021 565004212 /nfs/dbraw/zinc/00/42/12/565004212.db2.gz VIKVEGWKLZYPAL-GFCCVEGCSA-N 1 0 390.265 2.517 20 0 GFADRO C[C@@H]1CC[N@H+](C)CCN1C(=O)N[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000502769132 565004505 /nfs/dbraw/zinc/00/45/05/565004505.db2.gz XNKSPLMJJYQGQE-GDBMZVCRSA-N 1 0 395.345 2.763 20 0 GFADRO CCC[N@H+](CC)CCNC(=O)C(=O)N[C@@H]1CCSc2ccc(Cl)cc21 ZINC000561645074 565005219 /nfs/dbraw/zinc/00/52/19/565005219.db2.gz QQAMBPHGUYDILJ-OAHLLOKOSA-N 1 0 383.945 2.841 20 0 GFADRO CNC(=O)[C@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000502853929 565007717 /nfs/dbraw/zinc/00/77/17/565007717.db2.gz BOQVUEHXHAFAOX-GWCFXTLKSA-N 1 0 377.794 2.802 20 0 GFADRO O=C(NCCCOc1ccc(Cl)cc1Cl)NCCNc1cc[nH+]cc1 ZINC000535260669 565008959 /nfs/dbraw/zinc/00/89/59/565008959.db2.gz JLICYWHGHHSBNB-UHFFFAOYSA-N 1 0 383.279 2.991 20 0 GFADRO CC[NH+]1CCC(NC(=O)N[C@H]2CCN(c3ccc(Br)cc3)C2)CC1 ZINC000502957141 565009347 /nfs/dbraw/zinc/00/93/47/565009347.db2.gz NVILEQHLCXDEHF-INIZCTEOSA-N 1 0 395.345 2.811 20 0 GFADRO CC[NH+](CC)CCOCCNC(=O)c1ccc(Br)c(C)c1F ZINC000469216446 565010185 /nfs/dbraw/zinc/01/01/85/565010185.db2.gz SHZHROGRUIYHSZ-UHFFFAOYSA-N 1 0 375.282 2.985 20 0 GFADRO COc1ccc(C[C@H](CO)C[NH2+]Cc2ncc(Br)s2)cc1O ZINC000561980756 565014324 /nfs/dbraw/zinc/01/43/24/565014324.db2.gz KSUIONYFFHSGCD-NSHDSACASA-N 1 0 387.299 2.561 20 0 GFADRO CS[C@@H]1CN(S(=O)(=O)c2cc(C(F)(F)F)ccc2F)C[C@H]1[NH+](C)C ZINC000503221442 565014626 /nfs/dbraw/zinc/01/46/26/565014626.db2.gz JXHGMWUPLZXDKJ-VXGBXAGGSA-N 1 0 386.436 2.511 20 0 GFADRO CCCC[N@H+](C)CCNC(=O)[C@@H]1CC(=O)Nc2ccc(Br)cc21 ZINC000469391760 565016415 /nfs/dbraw/zinc/01/64/15/565016415.db2.gz VCVHFLOOEBKLCD-CQSZACIVSA-N 1 0 382.302 2.723 20 0 GFADRO Cc1cnn([C@H]2CC[N@H+](C[C@@H](O)COc3ccc(Br)cc3)C2)c1 ZINC000562056772 565017096 /nfs/dbraw/zinc/01/70/96/565017096.db2.gz MDQWKHJKWBKURA-JKSUJKDBSA-N 1 0 380.286 2.641 20 0 GFADRO CNC(=O)c1ccc(C[NH2+]CC(=O)Nc2ccc(Br)c(C)c2)cc1 ZINC000562079832 565017733 /nfs/dbraw/zinc/01/77/33/565017733.db2.gz FZGZINSQUQHNJZ-UHFFFAOYSA-N 1 0 390.281 2.845 20 0 GFADRO O=C(C[NH+]1CCC(c2ccc(Br)cc2)CC1)NC[C@H]1CCCO1 ZINC000503369822 565018288 /nfs/dbraw/zinc/01/82/88/565018288.db2.gz PQIQNYAYXBLFOA-QGZVFWFLSA-N 1 0 381.314 2.924 20 0 GFADRO CN(C)Cc1ccc(NC(=O)CCCCc2c[nH]nn2)cc1Br ZINC000469491344 565018429 /nfs/dbraw/zinc/01/84/29/565018429.db2.gz FLOBCZRBYOUVJY-UHFFFAOYSA-N 1 0 380.290 2.980 20 0 GFADRO C[NH+](C)CCN1C[C@@H](C(=O)N[C@@H]2CCc3c2ccc(Cl)c3Cl)CC1=O ZINC000469487454 565018442 /nfs/dbraw/zinc/01/84/42/565018442.db2.gz HMPGGEBMAOSIRT-XHDPSFHLSA-N 1 0 384.307 2.507 20 0 GFADRO CSC[C@H](CCO)NC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000562171672 565018503 /nfs/dbraw/zinc/01/85/03/565018503.db2.gz QAFYMDFNGQEYJJ-WMLDXEAASA-N 1 0 385.961 2.890 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)[C@@H]2CC(=O)Nc3ccc(Br)cc32)C[N@@H+]1C1CC1 ZINC000469551069 565019957 /nfs/dbraw/zinc/01/99/57/565019957.db2.gz BVHPFGGXNSJBCV-IXPVHAAZSA-N 1 0 392.297 2.616 20 0 GFADRO CCC[N@H+](CC)CCNC(=O)[C@@H]1CC(=O)Nc2ccc(Br)cc21 ZINC000469547040 565020216 /nfs/dbraw/zinc/02/02/16/565020216.db2.gz LEBCXRFCOOKSNO-CQSZACIVSA-N 1 0 382.302 2.723 20 0 GFADRO C[C@@H]1C[N@@H+](C[C@@H](O)Cn2ccc(-c3ccc(Br)cc3)n2)C[C@H](C)O1 ZINC000535877508 565023951 /nfs/dbraw/zinc/02/39/51/565023951.db2.gz VABCMRCXGMUJSO-JKIFEVAISA-N 1 0 394.313 2.783 20 0 GFADRO CC[C@@H](C[N@H+](C)[C@@H](C)C(=O)NCC(=O)OC)Oc1ccc(Cl)c(Cl)c1 ZINC000469755753 565026117 /nfs/dbraw/zinc/02/61/17/565026117.db2.gz IKWQHIMKOHVFTD-RYUDHWBXSA-N 1 0 391.295 2.760 20 0 GFADRO CC[C@H](C[N@H+](C)CC(=O)N1CCOCC1)Oc1ccc(Cl)c(Cl)c1 ZINC000469747982 565026170 /nfs/dbraw/zinc/02/61/70/565026170.db2.gz GHTDGKXNVDOXEF-CYBMUJFWSA-N 1 0 375.296 2.941 20 0 GFADRO CC[NH+](CC)CCOCCNC(=O)c1c(F)ccc(Br)c1F ZINC000469781929 565026815 /nfs/dbraw/zinc/02/68/15/565026815.db2.gz XIPYCCUTFFUZKA-UHFFFAOYSA-N 1 0 379.245 2.816 20 0 GFADRO C[C@@H](C(=O)Nc1cccc(Br)c1)[N@@H+]1CC[C@H](c2nccn2C)C1 ZINC000536062053 565028308 /nfs/dbraw/zinc/02/83/08/565028308.db2.gz TZOBJFCHDPCIAE-STQMWFEESA-N 1 0 377.286 2.999 20 0 GFADRO C[C@H](C[NH+]1CCCCC1)NC(=O)N[C@@H](CO)c1ccc(Br)cc1 ZINC000504081423 565034979 /nfs/dbraw/zinc/03/49/79/565034979.db2.gz ZGXQJTGCFKQUES-CJNGLKHVSA-N 1 0 384.318 2.656 20 0 GFADRO C[C@@H](O)C[N@@H+]1CCN(C(=O)N[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)[C@@H](C)C1 ZINC000504104687 565035604 /nfs/dbraw/zinc/03/56/04/565035604.db2.gz SFUHFROWFQAEHM-GMIGKAJZSA-N 1 0 386.323 2.946 20 0 GFADRO CC(=O)N1CCC([NH2+]Cc2nnc3c(Cl)cc(C(F)(F)F)cn23)CC1 ZINC000504107720 565035692 /nfs/dbraw/zinc/03/56/92/565035692.db2.gz CIXWCOYTYSECMP-UHFFFAOYSA-N 1 0 375.782 2.502 20 0 GFADRO C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@@H]2C[C@H]2c2ccc(Cl)cc2Cl)[C@@H](C)C1 ZINC000504107785 565035837 /nfs/dbraw/zinc/03/58/37/565035837.db2.gz JTCCSBGVTUXGJP-WXRXAMBDSA-N 1 0 386.323 2.946 20 0 GFADRO COCC[C@H](Cc1cccc(Br)c1)C(=O)N1C[C@H](C[NH3+])C[C@H]1C ZINC000504184660 565036438 /nfs/dbraw/zinc/03/64/38/565036438.db2.gz AEVLZHOBRLBSNA-VNQPRFMTSA-N 1 0 383.330 2.840 20 0 GFADRO C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+][C@@H]1CCC[C@H]1CNS(C)(=O)=O ZINC000504538890 565041187 /nfs/dbraw/zinc/04/11/87/565041187.db2.gz ATYWPALZORUPFS-IVMMDQJWSA-N 1 0 378.460 2.944 20 0 GFADRO COc1ccc(CNC(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1Br ZINC000562796947 565043100 /nfs/dbraw/zinc/04/31/00/565043100.db2.gz KNOAYADYYTTYLH-HUUCEWRRSA-N 1 0 396.329 2.989 20 0 GFADRO COc1ccc(Br)c(CNC(=O)N2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC000562791228 565043147 /nfs/dbraw/zinc/04/31/47/565043147.db2.gz RGISIESIXGGYCW-QGZVFWFLSA-N 1 0 382.302 2.743 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)N1CCC[N@@H+]([C@H](C)CO)CC1 ZINC000470397823 565044474 /nfs/dbraw/zinc/04/44/74/565044474.db2.gz NDKNKNOIEIMPBO-CYBMUJFWSA-N 1 0 384.318 2.932 20 0 GFADRO O=C(NCCSCC(F)(F)F)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000536726811 565045889 /nfs/dbraw/zinc/04/58/89/565045889.db2.gz ISAJAUCMSUYFSN-UHFFFAOYSA-N 1 0 383.480 2.568 20 0 GFADRO CC[NH+](CC)CCN(Cc1cccs1)C(=O)CNC(=O)c1ccsc1 ZINC000470513257 565047999 /nfs/dbraw/zinc/04/79/99/565047999.db2.gz IAFRROHRAXGXOB-UHFFFAOYSA-N 1 0 379.551 2.910 20 0 GFADRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+][C@H](C)CC(=O)Nc1cccc(Br)c1 ZINC000536833856 565048342 /nfs/dbraw/zinc/04/83/42/565048342.db2.gz PGZBDDKPGJUETK-KCPJHIHWSA-N 1 0 382.302 2.671 20 0 GFADRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]C1CCN(Cc2ccccc2Br)CC1 ZINC000536892549 565049318 /nfs/dbraw/zinc/04/93/18/565049318.db2.gz GYTQSDLUTKHSKD-AEFFLSMTSA-N 1 0 394.357 2.918 20 0 GFADRO C[C@@H]1CC[C@H](C[NH2+]C[C@H](O)COc2ccc(Cl)cc2Br)O1 ZINC000562998276 565051530 /nfs/dbraw/zinc/05/15/30/565051530.db2.gz DXQGLJRDUXHKHL-KGYLQXTDSA-N 1 0 378.694 2.999 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H](C)c2ncc(Br)cn2)C[C@@H]1C ZINC000563058746 565053260 /nfs/dbraw/zinc/05/32/60/565053260.db2.gz QWTKLTVHEMFEQF-SCRDCRAPSA-N 1 0 384.322 2.814 20 0 GFADRO [NH3+]C[C@H]1CC[C@@H](C(=O)NC2CCN(Cc3cc(Cl)cc(Cl)c3)CC2)O1 ZINC000563097514 565055281 /nfs/dbraw/zinc/05/52/81/565055281.db2.gz WADUFBMAFUFMHR-SJORKVTESA-N 1 0 386.323 2.580 20 0 GFADRO CO[C@@H]1COC[C@H]1[NH2+][C@H]1CCCN(c2c(C)cc(Br)cc2C)C1=O ZINC000563083211 565055334 /nfs/dbraw/zinc/05/53/34/565055334.db2.gz ACNWRARMMJSQHB-ARFHVFGLSA-N 1 0 397.313 2.565 20 0 GFADRO CO[C@@H]1COC[C@H]1[NH2+][C@@H]1CCCN(c2c(C)cc(Br)cc2C)C1=O ZINC000563083212 565055401 /nfs/dbraw/zinc/05/54/01/565055401.db2.gz ACNWRARMMJSQHB-BZUAXINKSA-N 1 0 397.313 2.565 20 0 GFADRO CCC[C@@H]1C[NH2+]CCN1C(=O)c1cc(=O)[nH]c2c(Br)cccc12 ZINC000563110495 565056089 /nfs/dbraw/zinc/05/60/89/565056089.db2.gz YDODWGRKXDGFOL-LLVKDONJSA-N 1 0 378.270 2.917 20 0 GFADRO COC(=O)[C@H](c1cccc(Br)c1)N1C[C@@H](SC)[C@H]([NH+](C)C)C1 ZINC000537272386 565056366 /nfs/dbraw/zinc/05/63/66/565056366.db2.gz FHTJSNDXVHTEPO-KFWWJZLASA-N 1 0 387.343 2.641 20 0 GFADRO COc1cc(C[NH2+][C@@H]2CO[C@@H](C)C2)cc(I)c1OC ZINC000563121775 565056524 /nfs/dbraw/zinc/05/65/24/565056524.db2.gz FCRZYFBWBXFNSX-ONGXEEELSA-N 1 0 377.222 2.575 20 0 GFADRO CN(Cc1cc(Br)ccc1F)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000563155253 565057491 /nfs/dbraw/zinc/05/74/91/565057491.db2.gz AIHMYZVFVKIBRO-ROUUACIJSA-N 1 0 381.289 2.951 20 0 GFADRO COC(=O)CC1([NH2+]CCCOc2cccc(I)c2)CC1 ZINC000584414128 565079058 /nfs/dbraw/zinc/07/90/58/565079058.db2.gz IYQRCGOIOLZUID-UHFFFAOYSA-N 1 0 389.233 2.745 20 0 GFADRO O[C@@H](C[NH2+]C[C@H]1COc2ccccc21)COc1ccc(Br)cc1 ZINC000584406649 565079109 /nfs/dbraw/zinc/07/91/09/565079109.db2.gz WVLPPZQVGMZUAA-ZFWWWQNUSA-N 1 0 378.266 2.955 20 0 GFADRO Cc1c(F)c(Br)ccc1C(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C ZINC000613764857 565079689 /nfs/dbraw/zinc/07/96/89/565079689.db2.gz DTGQSHWUUGWBIP-LLVKDONJSA-N 1 0 387.293 2.814 20 0 GFADRO CC1(C)CN(C(=O)Cc2c(Cl)cccc2Br)CC[N@@H+]1CCO ZINC000613777025 565080010 /nfs/dbraw/zinc/08/00/10/565080010.db2.gz KKNHKYRPCGDTCR-UHFFFAOYSA-N 1 0 389.721 2.560 20 0 GFADRO C[N@@H+]1CCCC[C@@H]1CCC(=O)NCC(=O)Nc1cccc(Br)c1 ZINC000584473601 565083088 /nfs/dbraw/zinc/08/30/88/565083088.db2.gz HWOYXNDRJFKOON-OAHLLOKOSA-N 1 0 382.302 2.768 20 0 GFADRO CN1CC[NH2+]C[C@H]1CNC(=O)c1ccc(-c2ccc(Br)cc2)s1 ZINC000584715646 565093474 /nfs/dbraw/zinc/09/34/74/565093474.db2.gz ZAAXDXXMGQHUDS-AWEZNQCLSA-N 1 0 394.338 2.811 20 0 GFADRO COc1cc(C[NH2+]Cc2cncc(Br)c2C)ccc1OCCO ZINC000657318722 565096187 /nfs/dbraw/zinc/09/61/87/565096187.db2.gz UAWAVIGUMIIIEG-UHFFFAOYSA-N 1 0 381.270 2.822 20 0 GFADRO Cc1c(Br)cncc1C[NH2+][C@@H](Cc1ccccc1)C(=O)N(C)C ZINC000657358315 565099644 /nfs/dbraw/zinc/09/96/44/565099644.db2.gz KENONCLGISVTSH-KRWDZBQOSA-N 1 0 376.298 2.942 20 0 GFADRO O[C@]1(CNCc2c(F)cncc2Br)CC[N@H+](Cc2ccccc2)C1 ZINC000657373066 565100172 /nfs/dbraw/zinc/10/01/72/565100172.db2.gz OZCHZAUQFJLMGN-SFHVURJKSA-N 1 0 394.288 2.710 20 0 GFADRO Brc1ccccc1-n1cc(C[N@@H+]2CC[C@H]([C@H]3CCOC3)C2)nn1 ZINC000584821363 565100481 /nfs/dbraw/zinc/10/04/81/565100481.db2.gz CWJFUUGDBLKRIZ-KBPBESRZSA-N 1 0 377.286 2.888 20 0 GFADRO C[NH+](C)CCN(Cc1cc2c(c(Br)c1)OCO2)C[C@@H]1CCCO1 ZINC000685455815 565108034 /nfs/dbraw/zinc/10/80/34/565108034.db2.gz YTDJGCAGVALDHO-AWEZNQCLSA-N 1 0 385.302 2.720 20 0 GFADRO CC[C@@H]1C[N@H+](C)CCCN1C(=O)c1cc(=O)c2cc(Br)ccc2[nH]1 ZINC000614335502 565108408 /nfs/dbraw/zinc/10/84/08/565108408.db2.gz PSDQNWWOMXZXKT-CYBMUJFWSA-N 1 0 392.297 2.847 20 0 GFADRO COc1cc(C[NH2+][C@H]2Cc3ccccc3N(C)C2=O)cc(Br)c1O ZINC000657572546 565110124 /nfs/dbraw/zinc/11/01/24/565110124.db2.gz ZZMFDUYGTLGFSQ-AWEZNQCLSA-N 1 0 391.265 2.841 20 0 GFADRO CO[C@@H]1CCC[C@@H]([C@H](CO)[NH2+]Cc2cc3c(c(Br)c2)OCO3)C1 ZINC000657575458 565110430 /nfs/dbraw/zinc/11/04/30/565110430.db2.gz BOTQWVJECPYTJC-NFAWXSAZSA-N 1 0 386.286 2.834 20 0 GFADRO CCCC[N@H+](C)C[C@@H](C)NS(=O)(=O)c1cc(OC)ccc1Br ZINC000685515910 565110996 /nfs/dbraw/zinc/11/09/96/565110996.db2.gz LGMYIXCLVXVPLQ-GFCCVEGCSA-N 1 0 393.347 2.856 20 0 GFADRO COc1ccc(Br)cc1C(=O)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000614437963 565112285 /nfs/dbraw/zinc/11/22/85/565112285.db2.gz LBVSGXOEIZDUGV-HNNXBMFYSA-N 1 0 397.313 2.785 20 0 GFADRO C[NH+](C)[C@@]1(CNCc2cn(-c3ccccc3Br)nn2)CCSC1 ZINC000685617697 565115325 /nfs/dbraw/zinc/11/53/25/565115325.db2.gz HCEYGMAIFZFRLX-MRXNPFEDSA-N 1 0 396.358 2.557 20 0 GFADRO CCC[N@H+](CC)C[C@@H](C)NS(=O)(=O)c1cc2c(cc1Cl)OCCO2 ZINC000685610651 565115884 /nfs/dbraw/zinc/11/58/84/565115884.db2.gz LMEXRTFXOAILNU-GFCCVEGCSA-N 1 0 376.906 2.510 20 0 GFADRO O=C(NC[C@@H]1C[N@@H+]2CCN1CCC2)c1cccc2cccc(Br)c21 ZINC000614505393 565116636 /nfs/dbraw/zinc/11/66/36/565116636.db2.gz MZYFVXSDYDUYFO-OAHLLOKOSA-N 1 0 388.309 2.722 20 0 GFADRO Cc1cc(Br)cn2c(C[NH2+]Cc3ccc(CC(N)=O)cc3)cnc12 ZINC000685624420 565117605 /nfs/dbraw/zinc/11/76/05/565117605.db2.gz QXCNCMHWBRREBZ-UHFFFAOYSA-N 1 0 387.281 2.723 20 0 GFADRO C[C@@H](NC(=O)NCC1CC[NH+](Cc2cccs2)CC1)[C@H](O)C(F)(F)F ZINC000636676837 565119195 /nfs/dbraw/zinc/11/91/95/565119195.db2.gz CXEIWACLUGUPQM-RISCZKNCSA-N 1 0 379.448 2.571 20 0 GFADRO C[C@H](NC(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1)[C@H](O)C(F)(F)F ZINC000636679178 565120625 /nfs/dbraw/zinc/12/06/25/565120625.db2.gz RIFMHIFFBCISEL-SCRDCRAPSA-N 1 0 379.448 2.571 20 0 GFADRO O[C@@H]1C[C@H]([NH2+]Cc2ccc(Br)cc2N2CCOCC2)C12CCC2 ZINC000657706424 565121891 /nfs/dbraw/zinc/12/18/91/565121891.db2.gz PDMOZESSYARTBU-DLBZAZTESA-N 1 0 381.314 2.679 20 0 GFADRO O=C(N[C@@H](CO)C[NH+]1CCCCC1)c1cc2cc(Br)sc2[nH]1 ZINC000614662014 565125767 /nfs/dbraw/zinc/12/57/67/565125767.db2.gz WHMBUDHBDCFAGG-LLVKDONJSA-N 1 0 386.315 2.569 20 0 GFADRO CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]C[C@H]1CC(=O)N(C(C)(C)C)C1 ZINC000657753843 565125935 /nfs/dbraw/zinc/12/59/35/565125935.db2.gz SBVOCILJTJNGGP-CYBMUJFWSA-N 1 0 386.945 2.870 20 0 GFADRO Brc1ccn2cc(CN3CCC[N@H+](C[C@H]4CCCO4)CC3)nc2c1 ZINC000685833595 565126711 /nfs/dbraw/zinc/12/67/11/565126711.db2.gz VTORQEJLPOOWGC-QGZVFWFLSA-N 1 0 393.329 2.784 20 0 GFADRO OCC1([C@H]([NH2+]Cc2cc3c(c(Br)c2)OCO3)[C@H]2CCCO2)CCC1 ZINC000685851255 565127243 /nfs/dbraw/zinc/12/72/43/565127243.db2.gz FTXFPPJIPRLMBY-RHSMWYFYSA-N 1 0 398.297 2.978 20 0 GFADRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1cc(Br)cc2c1OCCO2 ZINC000614725033 565130471 /nfs/dbraw/zinc/13/04/71/565130471.db2.gz PKAPASCCEZEDNR-GXTWGEPZSA-N 1 0 395.297 2.919 20 0 GFADRO CC[C@H](Cc1ccc(Br)cc1)[NH2+]C1CCN(S(C)(=O)=O)CC1 ZINC000657830655 565132701 /nfs/dbraw/zinc/13/27/01/565132701.db2.gz MNIVOWVQJOYCIN-OAHLLOKOSA-N 1 0 389.359 2.784 20 0 GFADRO CC[C@H](Cc1ccc(Br)cc1)[NH2+]CCCNS(=O)(=O)CC ZINC000657860733 565133480 /nfs/dbraw/zinc/13/34/80/565133480.db2.gz LGURKARVHOFSII-OAHLLOKOSA-N 1 0 377.348 2.689 20 0 GFADRO O=C(C1=Cc2cc(Br)ccc2OC1)N1CC[NH+](CC2CC2)CC1 ZINC000614873013 565137562 /nfs/dbraw/zinc/13/75/62/565137562.db2.gz BMNUKBWLOWVGBG-UHFFFAOYSA-N 1 0 377.282 2.779 20 0 GFADRO COCCCN(C(=O)c1cncc(Br)c1C)C1CC[NH+](C)CC1 ZINC000615045754 565142320 /nfs/dbraw/zinc/14/23/20/565142320.db2.gz FHUYFUPCQCAETE-UHFFFAOYSA-N 1 0 384.318 2.725 20 0 GFADRO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCO[C@H]1c1cncc(Br)c1 ZINC000615040362 565142923 /nfs/dbraw/zinc/14/29/23/565142923.db2.gz DWWSMDBRJMWQNO-WQVCFCJDSA-N 1 0 384.318 2.767 20 0 GFADRO NC(=O)C[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000588900166 565144447 /nfs/dbraw/zinc/14/44/47/565144447.db2.gz JXTZQWVOUXWJLA-LLVKDONJSA-N 1 0 375.803 2.610 20 0 GFADRO CC[C@H](Cc1ccc(Br)cc1)[NH2+]CC1(OCCO)CCOCC1 ZINC000658003674 565144758 /nfs/dbraw/zinc/14/47/58/565144758.db2.gz KENZCXZYSSMNKF-QGZVFWFLSA-N 1 0 386.330 2.918 20 0 GFADRO C[C@H](Cn1cncn1)[NH2+][C@H](C)c1ccc(Br)cc1OCCCO ZINC000658018273 565145965 /nfs/dbraw/zinc/14/59/65/565145965.db2.gz PYQOTNFFSZCFKD-CHWSQXEVSA-N 1 0 383.290 2.541 20 0 GFADRO C[C@@H](Cn1cncn1)[NH2+]C1CCN(Cc2cccc(Br)c2)CC1 ZINC000658038599 565147068 /nfs/dbraw/zinc/14/70/68/565147068.db2.gz QZHWFMFUJIWFMI-AWEZNQCLSA-N 1 0 378.318 2.683 20 0 GFADRO O=C(Nc1cccc(Br)c1F)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000658055874 565149025 /nfs/dbraw/zinc/14/90/25/565149025.db2.gz JSCLXVWNLUUSAL-GXTWGEPZSA-N 1 0 398.276 2.660 20 0 GFADRO Cc1cc(NC(=O)C(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)ccc1Br ZINC000658120113 565150022 /nfs/dbraw/zinc/15/00/22/565150022.db2.gz IVJDLMLLPIIEJX-CYBMUJFWSA-N 1 0 382.302 2.685 20 0 GFADRO O=C(Nc1cc(Cl)cc(Cl)c1)[C@H]1CCCN1C(=O)NCC[NH2+]C1CC1 ZINC000637340351 565151058 /nfs/dbraw/zinc/15/10/58/565151058.db2.gz PAORRJMRYAXJRD-OAHLLOKOSA-N 1 0 385.295 2.858 20 0 GFADRO OCCO[C@]1(C[NH2+][C@H](c2ccc(Br)s2)C2CC2)CCOC1 ZINC000658144954 565152984 /nfs/dbraw/zinc/15/29/84/565152984.db2.gz PKPUSYJXRPZZMI-GJZGRUSLSA-N 1 0 376.316 2.719 20 0 GFADRO OCCO[C@]1(C[NH2+][C@@H]2CCCOc3c(Cl)c(Cl)ccc32)CCOC1 ZINC000658147731 565153449 /nfs/dbraw/zinc/15/34/49/565153449.db2.gz FPGGMNTWPWTSFL-PBHICJAKSA-N 1 0 376.280 2.965 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCc2cc(Br)cnc2OC)[C@@H](C)C1 ZINC000637407023 565154315 /nfs/dbraw/zinc/15/43/15/565154315.db2.gz PDWKKUQCZKEQAY-SWLSCSKDSA-N 1 0 399.333 2.724 20 0 GFADRO C[C@@H]([NH2+]CC1(S(C)(=O)=O)CCCCC1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000658204590 565156308 /nfs/dbraw/zinc/15/63/08/565156308.db2.gz BKMTVERPHZQZMZ-CYBMUJFWSA-N 1 0 391.530 2.627 20 0 GFADRO O=C(CCn1cc(Br)cn1)NCc1ccccc1C[NH+]1CCCC1 ZINC000615336278 565157628 /nfs/dbraw/zinc/15/76/28/565157628.db2.gz NZDFLTRLGVSRIN-UHFFFAOYSA-N 1 0 391.313 2.948 20 0 GFADRO CCN(C(=O)C(=O)Nc1c(C)cc(C)cc1Br)[C@H]1CC[N@H+](C)C1 ZINC000658362931 565161774 /nfs/dbraw/zinc/16/17/74/565161774.db2.gz UNMJNTLIMYKKOL-ZDUSSCGKSA-N 1 0 382.302 2.557 20 0 GFADRO CCCN(C1CC[NH2+]CC1)S(=O)(=O)Cc1ccc(OC(F)(F)F)cc1 ZINC000658373807 565162389 /nfs/dbraw/zinc/16/23/89/565162389.db2.gz KNMSGBGOFUASBK-UHFFFAOYSA-N 1 0 380.432 2.879 20 0 GFADRO CC(C)C[C@](C)(C[NH3+])NS(=O)(=O)Cc1cc(F)ccc1Br ZINC000658369235 565163088 /nfs/dbraw/zinc/16/30/88/565163088.db2.gz VHZGYTFRHZZRSM-CQSZACIVSA-N 1 0 381.311 2.771 20 0 GFADRO O=S(=O)(N[C@@H]1CC12CC[NH2+]CC2)c1cc(Cl)ccc1OC(F)(F)F ZINC000658380488 565164613 /nfs/dbraw/zinc/16/46/13/565164613.db2.gz SZPKOKIKVUDPHV-GFCCVEGCSA-N 1 0 384.807 2.659 20 0 GFADRO [NH3+][C@@H]1CN(S(=O)(=O)CCc2ccccc2Cl)C[C@H]1c1cccc(F)c1 ZINC000658382692 565165724 /nfs/dbraw/zinc/16/57/24/565165724.db2.gz YWEHRBIFOHISDS-FUHWJXTLSA-N 1 0 382.888 2.778 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2S(=O)(=O)Cc2cc(F)ccc2Cl)C1 ZINC000658384199 565165829 /nfs/dbraw/zinc/16/58/29/565165829.db2.gz VIBFYOLGCTUGKX-PVAVHDDUSA-N 1 0 390.908 2.670 20 0 GFADRO C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1nn(C(C)(C)C)cc1Br)C2 ZINC000615608225 565167293 /nfs/dbraw/zinc/16/72/93/565167293.db2.gz UCTWPKMSZPCCIG-QGZVFWFLSA-N 1 0 383.334 2.959 20 0 GFADRO Cc1c(S(=O)(=O)N2CC[C@@H](C)C[C@H]2C[NH3+])cnn1-c1ccc(Cl)cc1 ZINC000658400663 565168433 /nfs/dbraw/zinc/16/84/33/565168433.db2.gz RRFRYZGPVXZVEZ-WBMJQRKESA-N 1 0 382.917 2.582 20 0 GFADRO O=S(=O)(N[C@@H]1CC[NH2+]C2(CCC2)C1)c1ccc(F)c(Br)c1 ZINC000658402439 565168455 /nfs/dbraw/zinc/16/84/55/565168455.db2.gz NTSFAUKBAMIHGY-SNVBAGLBSA-N 1 0 377.279 2.541 20 0 GFADRO C[C@@H](NC(=O)NC[C@](C)(O)C[NH+](C)C)c1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC000637671658 565168737 /nfs/dbraw/zinc/16/87/37/565168737.db2.gz LKUQMQDQSAIXGV-ABKXIKBNSA-N 1 0 388.299 2.543 20 0 GFADRO CCc1ccc(-c2csc(NC(=O)C(=O)NCC[C@H](C)[NH+](C)C)n2)s1 ZINC000658429399 565168912 /nfs/dbraw/zinc/16/89/12/565168912.db2.gz RPGPBZAHRYWQGU-NSHDSACASA-N 1 0 380.539 2.829 20 0 GFADRO CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)[C@]1(C[NH3+])CCCOC1 ZINC000637898401 565175580 /nfs/dbraw/zinc/17/55/80/565175580.db2.gz PEDZAFASCMYPSZ-KRWDZBQOSA-N 1 0 388.295 2.536 20 0 GFADRO Cc1cc(C)c(C(=O)N2CC[C@H]3C[N@@H+](C)C[C@@H]32)cc1I ZINC000590046403 565176732 /nfs/dbraw/zinc/17/67/32/565176732.db2.gz CCVHVUJVHCLHRA-WFASDCNBSA-N 1 0 384.261 2.684 20 0 GFADRO COc1cccc(C[C@H]([NH3+])C(=O)NCc2cc(OC)ccc2Br)c1 ZINC000637936035 565177869 /nfs/dbraw/zinc/17/78/69/565177869.db2.gz MLUBGXYXLXTNEV-KRWDZBQOSA-N 1 0 393.281 2.653 20 0 GFADRO [NH3+][C@@H]1CCO[C@@H]1C(=O)Nc1ncc(Cc2cccc(Br)c2)s1 ZINC000637951659 565179082 /nfs/dbraw/zinc/17/90/82/565179082.db2.gz LUJNVMMOTKQCHX-OLZOCXBDSA-N 1 0 382.283 2.551 20 0 GFADRO Brc1cnc2c(CN3CCC[C@H]([NH+]4CCCC4)CC3)cnn2c1 ZINC000638103887 565185252 /nfs/dbraw/zinc/18/52/52/565185252.db2.gz CJQFOLFXZNWKGS-INIZCTEOSA-N 1 0 378.318 2.942 20 0 GFADRO [NH3+][C@H]1CC=C(C(=O)NC2CCN(Cc3ccc(Br)cc3)CC2)C1 ZINC000638132306 565186148 /nfs/dbraw/zinc/18/61/48/565186148.db2.gz PVUUSNDHQYFPJJ-INIZCTEOSA-N 1 0 378.314 2.577 20 0 GFADRO C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)c1cc(F)ccc1I ZINC000590403225 565186774 /nfs/dbraw/zinc/18/67/74/565186774.db2.gz JNUJKXHGIHSFPU-TVQRCGJNSA-N 1 0 376.213 2.595 20 0 GFADRO O=C(c1ccc2cncc(Br)c2n1)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000638262234 565190073 /nfs/dbraw/zinc/19/00/73/565190073.db2.gz KSHBSCWYHXQDRR-JSGCOSHPSA-N 1 0 389.297 2.854 20 0 GFADRO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)c1c(F)cccc1I ZINC000590566175 565191332 /nfs/dbraw/zinc/19/13/32/565191332.db2.gz GBYBLNIZWVXNHB-BXKDBHETSA-N 1 0 376.213 2.595 20 0 GFADRO CCn1cc(Br)c(=O)c(NC(=O)CSCC[NH+](CC)CC)c1 ZINC000590551941 565191481 /nfs/dbraw/zinc/19/14/81/565191481.db2.gz SXBFWTIGFVNZKK-UHFFFAOYSA-N 1 0 390.347 2.644 20 0 GFADRO COc1nsc(C[NH2+]CCCN2CCCCCC2=O)c1Br ZINC000638298788 565191472 /nfs/dbraw/zinc/19/14/72/565191472.db2.gz SLBJLNFHTVBPIR-UHFFFAOYSA-N 1 0 376.320 2.797 20 0 GFADRO O=C(COc1ccc(Br)cn1)Nc1nc(C2CC[NH2+]CC2)cs1 ZINC000638333414 565192233 /nfs/dbraw/zinc/19/22/33/565192233.db2.gz QZWOOVWXNARZDO-UHFFFAOYSA-N 1 0 397.298 2.785 20 0 GFADRO [NH3+]C1(CNC(=O)c2c(F)cncc2Br)C2CC3CC(C2)CC1C3 ZINC000638353231 565193456 /nfs/dbraw/zinc/19/34/56/565193456.db2.gz VDUVYJNNYICJPT-UHFFFAOYSA-N 1 0 382.277 2.867 20 0 GFADRO COCC[NH2+]C1CCN(C(=O)[C@@H]2[C@@H]3Cc4cc(Br)ccc4[C@@H]32)CC1 ZINC000638386400 565193464 /nfs/dbraw/zinc/19/34/64/565193464.db2.gz MDELJCSJSALLQL-FGTMMUONSA-N 1 0 393.325 2.562 20 0 GFADRO CO[C@@H]1C[NH2+][C@](C)(C(=O)NCCc2csc(-c3ccc(Cl)cc3)n2)C1 ZINC000638379216 565193706 /nfs/dbraw/zinc/19/37/06/565193706.db2.gz XFMBDKAULPYNAZ-YJBOKZPZSA-N 1 0 379.913 2.889 20 0 GFADRO [NH3+]C[C@]1(C(=O)N2CCc3[nH]c4ccc(Br)cc4c3C2)CCCOC1 ZINC000638409166 565194748 /nfs/dbraw/zinc/19/47/48/565194748.db2.gz VHNRJPYDDCVKDC-GOSISDBHSA-N 1 0 392.297 2.571 20 0 GFADRO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)c1ccc(I)cc1F ZINC000590632619 565195191 /nfs/dbraw/zinc/19/51/91/565195191.db2.gz RFRLHAVNPPGZMW-GFCCVEGCSA-N 1 0 388.224 2.644 20 0 GFADRO CO[C@H](C[NH2+]CC(=O)Nc1ccc(Br)cc1C)C1CCOCC1 ZINC000638444485 565196600 /nfs/dbraw/zinc/19/66/00/565196600.db2.gz FKZGLUZDFNUUSW-MRXNPFEDSA-N 1 0 385.302 2.727 20 0 GFADRO C[C@@H](C[C@H]1CCCC(=O)N1)[NH2+]Cc1cc(Br)c2c(c1)OCCO2 ZINC000638440556 565196632 /nfs/dbraw/zinc/19/66/32/565196632.db2.gz SNKNFRINVCLQAR-WCQYABFASA-N 1 0 383.286 2.757 20 0 GFADRO O=C(Nc1nnc(CC(F)(F)F)s1)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000659004000 565198465 /nfs/dbraw/zinc/19/84/65/565198465.db2.gz HARFEYUXYUEMMU-NSHDSACASA-N 1 0 377.436 2.886 20 0 GFADRO [NH3+]CC12CC(C1)CN2C(=O)Nc1ccc(-c2ccc(Br)s2)nn1 ZINC000659011807 565199121 /nfs/dbraw/zinc/19/91/21/565199121.db2.gz MTYDNUGOXZZBPK-UHFFFAOYSA-N 1 0 394.298 2.923 20 0 GFADRO O=C(N[C@H]1CC[NH2+]C12CCC2)[C@H]1CCN(c2cc(Cl)ccc2Cl)C1=O ZINC000638505833 565199327 /nfs/dbraw/zinc/19/93/27/565199327.db2.gz XRLCMKFUIKYUES-DOMZBBRYSA-N 1 0 382.291 2.747 20 0 GFADRO COc1cc(NC(=O)N2CCO[C@H]([C@H](C)[NH3+])C2)c(Cl)cc1Br ZINC000659046853 565199266 /nfs/dbraw/zinc/19/92/66/565199266.db2.gz BUDSEHLAXAEHQV-SDBXPKJASA-N 1 0 392.681 2.691 20 0 GFADRO [NH3+]C[C@@H](NC(=O)N1CCN(c2ccc(Cl)cc2Cl)CC1)C(F)(F)F ZINC000659025166 565199721 /nfs/dbraw/zinc/19/97/21/565199721.db2.gz OJGANQKSZOYFTL-GFCCVEGCSA-N 1 0 385.217 2.715 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)Cc2cccc(Br)c2)CC[C@@H]1C(F)(F)F ZINC000638554633 565201608 /nfs/dbraw/zinc/20/16/08/565201608.db2.gz WOUKKKPSJFBWIW-AAEUAGOBSA-N 1 0 379.220 2.977 20 0 GFADRO [NH3+]C1(CNC(=O)C(=O)Nc2cc(F)c(Br)c(Cl)c2)CCCC1 ZINC000659098003 565201675 /nfs/dbraw/zinc/20/16/75/565201675.db2.gz WAHXFGFBLCGWAQ-UHFFFAOYSA-N 1 0 392.656 2.568 20 0 GFADRO [NH3+]Cc1cccc2c1N(C(=O)CS(=O)(=O)c1ccc(Cl)cc1)CCC2 ZINC000638544063 565202002 /nfs/dbraw/zinc/20/20/02/565202002.db2.gz BUZKXTQQBBLVME-UHFFFAOYSA-N 1 0 378.881 2.552 20 0 GFADRO C[NH2+]C[C@@H](C)NC(=O)C(=O)Nc1ccc(Sc2nc(C)cs2)cc1C ZINC000659111300 565202495 /nfs/dbraw/zinc/20/24/95/565202495.db2.gz IDTHTKORTKTIHO-LLVKDONJSA-N 1 0 378.523 2.574 20 0 GFADRO [NH3+][C@@H]1CN(C(=O)C(=O)Nc2cccc(Cl)c2SCC(F)F)CC[C@H]1F ZINC000659110147 565202807 /nfs/dbraw/zinc/20/28/07/565202807.db2.gz ZCXGOFYDYXJYCZ-NXEZZACHSA-N 1 0 395.834 2.533 20 0 GFADRO C[NH2+]C[C@H](C)NC(=O)C(=O)Nc1ccc(Sc2nc(C)cs2)c(Cl)c1 ZINC000659112944 565202905 /nfs/dbraw/zinc/20/29/05/565202905.db2.gz SPIDQXMFZJPZSO-VIFPVBQESA-N 1 0 398.941 2.919 20 0 GFADRO CC[C@]1([NH2+]Cc2cc(I)c(OC)c(OC)c2)CCOC1 ZINC000616487729 565203250 /nfs/dbraw/zinc/20/32/50/565203250.db2.gz UIKRLVROPYXMND-HNNXBMFYSA-N 1 0 391.249 2.967 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+]CCCc2nc(-c3ccncc3)cs2)s1 ZINC000638602862 565204347 /nfs/dbraw/zinc/20/43/47/565204347.db2.gz XDAVTCOATQWUSG-UHFFFAOYSA-N 1 0 394.547 2.636 20 0 GFADRO O=C(C[N@@H+]1CCC[C@@H]1C1CC1)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000590787707 565204319 /nfs/dbraw/zinc/20/43/19/565204319.db2.gz FYCPCHXURGUGCI-MRXNPFEDSA-N 1 0 383.323 2.911 20 0 GFADRO CN(CC(=O)Nc1ccccc1Br)C(=O)C1([NH3+])CC2(CCC2)C1 ZINC000659261317 565208760 /nfs/dbraw/zinc/20/87/60/565208760.db2.gz OCANCWMUOBKPHZ-UHFFFAOYSA-N 1 0 380.286 2.508 20 0 GFADRO CC(C)([NH3+])c1nocc1C(=O)N1CCc2cc(F)cc(Br)c2C1 ZINC000638773117 565210309 /nfs/dbraw/zinc/21/03/09/565210309.db2.gz HCYAKQXGRWJUSA-UHFFFAOYSA-N 1 0 382.233 2.969 20 0 GFADRO O=C(COc1c(Cl)cccc1Cl)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000638776187 565210368 /nfs/dbraw/zinc/21/03/68/565210368.db2.gz MZCSFSRCWVBQNA-CQSZACIVSA-N 1 0 387.307 2.989 20 0 GFADRO Cc1ccc(Br)c(C(=O)N2CCC(CO[C@H]3CC[NH2+]C3)CC2)c1 ZINC000638784869 565211726 /nfs/dbraw/zinc/21/17/26/565211726.db2.gz KNIAJNFPFVKXSH-HNNXBMFYSA-N 1 0 381.314 2.988 20 0 GFADRO CN1CC[C@@H]([NH2+]Cc2ccc(S(N)(=O)=O)s2)[C@@H]1c1ccc(Cl)cc1 ZINC000638803057 565211813 /nfs/dbraw/zinc/21/18/13/565211813.db2.gz ZOFPETRPELPIJQ-ZBFHGGJFSA-N 1 0 385.942 2.584 20 0 GFADRO C[C@H](C[NH2+][C@@H]1CCN(C)[C@@H](c2ccc(Br)cc2)C1)S(C)(=O)=O ZINC000638806406 565211921 /nfs/dbraw/zinc/21/19/21/565211921.db2.gz PWGHZMMNLHWSRV-DAXOMENPSA-N 1 0 389.359 2.607 20 0 GFADRO CN(C[C@H](O)COc1cc(Cl)cc(Cl)c1)C(=O)c1ccc(C[NH3+])cc1 ZINC000638828613 565212911 /nfs/dbraw/zinc/21/29/11/565212911.db2.gz WTUILFJWLDOERN-INIZCTEOSA-N 1 0 383.275 2.964 20 0 GFADRO CC(=O)N[C@H](CC(=O)N1CCCCC[C@H]([NH3+])C1)c1ccc(Br)cc1 ZINC000638836865 565214528 /nfs/dbraw/zinc/21/45/28/565214528.db2.gz VCQBXARZJHQWHF-DLBZAZTESA-N 1 0 396.329 2.746 20 0 GFADRO O=C(N[C@@H]1[C@H]2Cc3c(cccc3Br)[C@@H]12)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000638832646 565214567 /nfs/dbraw/zinc/21/45/67/565214567.db2.gz SIEKCLMUJBOXGC-HQLVEWEZSA-N 1 0 375.310 2.839 20 0 GFADRO [NH3+]C1CCC(OCC(=O)N2CCOC[C@@H]2c2ccc(Br)cc2)CC1 ZINC000659358924 565214788 /nfs/dbraw/zinc/21/47/88/565214788.db2.gz PZPACNVARVXYRE-OFLPRAFFSA-N 1 0 397.313 2.636 20 0 GFADRO COC[C@@]1(C(=O)N[C@@H]2CCCCc3cc(Br)ccc32)CC[NH2+]C1 ZINC000659387131 565215883 /nfs/dbraw/zinc/21/58/83/565215883.db2.gz WVRAPLPDUPIFKL-SJLPKXTDSA-N 1 0 381.314 2.959 20 0 GFADRO Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]Cc1ccc(S(N)(=O)=O)s1)CC3 ZINC000638915401 565217761 /nfs/dbraw/zinc/21/77/61/565217761.db2.gz PZMWREMCXWDWSJ-LBPRGKRZSA-N 1 0 375.519 2.832 20 0 GFADRO COCC[NH2+]CCNC(=O)N[C@@H]1CCCCc2cc(Br)ccc21 ZINC000659527468 565219372 /nfs/dbraw/zinc/21/93/72/565219372.db2.gz LMVDRULLUREEHF-MRXNPFEDSA-N 1 0 384.318 2.752 20 0 GFADRO COC[C@@]1(CNC(=O)N2Cc3ccc(C)c(Br)c3C2)CCC[NH2+]1 ZINC000659542825 565220122 /nfs/dbraw/zinc/22/01/22/565220122.db2.gz QMEZTJSFNSAFMJ-KRWDZBQOSA-N 1 0 382.302 2.551 20 0 GFADRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N1CCOC[C@H]1c1ccc(Br)cc1 ZINC000659536845 565220190 /nfs/dbraw/zinc/22/01/90/565220190.db2.gz OTRRVXCSERBQAH-KCXAZCMYSA-N 1 0 382.302 2.530 20 0 GFADRO [NH3+]C[C@H]1Cc2ccccc2N(C(=O)c2cc3c(cc2Br)OCO3)C1 ZINC000639025511 565220872 /nfs/dbraw/zinc/22/08/72/565220872.db2.gz YNMUBSUNPIBPJB-LLVKDONJSA-N 1 0 389.249 2.956 20 0 GFADRO O=C([C@@H]1[C@@H]2Cc3cc(Br)ccc3[C@@H]21)N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000639018916 565220983 /nfs/dbraw/zinc/22/09/83/565220983.db2.gz ACKZKHDMFAVQSS-XYQSWSQNSA-N 1 0 375.310 2.935 20 0 GFADRO O=C(NCC1CC[NH+](C2CCOCC2)CC1)c1csc(C(F)(F)F)n1 ZINC000617111474 565221494 /nfs/dbraw/zinc/22/14/94/565221494.db2.gz WQPQYNALDXKHQF-UHFFFAOYSA-N 1 0 377.432 2.783 20 0 GFADRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)Nc3ccc(F)cc3I)C[C@@H]12 ZINC000591288402 565221957 /nfs/dbraw/zinc/22/19/57/565221957.db2.gz CUSMGLADXQSUAS-HLUHBDAQSA-N 1 0 389.212 2.631 20 0 GFADRO C[N@H+](Cc1ccc(S(N)(=O)=O)s1)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000639043972 565222094 /nfs/dbraw/zinc/22/20/94/565222094.db2.gz DBZKQKIILWJNQJ-ZBFHGGJFSA-N 1 0 384.498 2.887 20 0 GFADRO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N(Cc1cccs1)Cc1cccs1 ZINC000659741423 565222294 /nfs/dbraw/zinc/22/22/94/565222294.db2.gz MEWNEGJDDICEHT-MRXNPFEDSA-N 1 0 379.551 2.828 20 0 GFADRO O=C1Nc2ccccc2[C@@]12CC[N@@H+](Cc1cnn3cc(Br)cnc13)C2 ZINC000639069399 565223422 /nfs/dbraw/zinc/22/34/22/565223422.db2.gz SWRAVXJYKUEADS-SFHVURJKSA-N 1 0 398.264 2.588 20 0 GFADRO CC(C)n1ncc2c1C[C@H]([NH2+]Cc1cnn3cc(Br)cnc13)CC2 ZINC000639097773 565224459 /nfs/dbraw/zinc/22/44/59/565224459.db2.gz BIKCOVJOUQJHKM-OAHLLOKOSA-N 1 0 389.301 2.916 20 0 GFADRO CO[C@@H](C[NH2+]C[C@@H](CO)Cc1ccc(Br)cc1)C1CCOCC1 ZINC000639105831 565226002 /nfs/dbraw/zinc/22/60/02/565226002.db2.gz RVDALALBPGPLAX-YJBOKZPZSA-N 1 0 386.330 2.631 20 0 GFADRO C[C@H](C[C@@H]1CCCC(=O)N1)[NH2+]C[C@H](CO)Cc1ccccc1Br ZINC000639105742 565226008 /nfs/dbraw/zinc/22/60/08/565226008.db2.gz QKKKNGRCBIWLJF-FMKPAKJESA-N 1 0 383.330 2.637 20 0 GFADRO C[N@H+](CCc1nnn(C(C)(C)C)n1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000659852023 565226590 /nfs/dbraw/zinc/22/65/90/565226590.db2.gz JOIWZMNIJCTGGM-GDBMZVCRSA-N 1 0 384.311 2.868 20 0 GFADRO CCOC1CC(C[NH2+]Cc2cc(Cl)cc(Cl)c2N)(N2CCOCC2)C1 ZINC000639121875 565227390 /nfs/dbraw/zinc/22/73/90/565227390.db2.gz CEYLUUCATJVJRR-UHFFFAOYSA-N 1 0 388.339 2.935 20 0 GFADRO O=C(NCC[NH2+]C1CC1)N1CCC[C@H]1c1ccccc1I ZINC000591359272 565227313 /nfs/dbraw/zinc/22/73/13/565227313.db2.gz JDQYYVVCZGKSJK-HNNXBMFYSA-N 1 0 399.276 2.890 20 0 GFADRO O=C(CN1CC[C@@H]([NH+]2CCCC2)C1)c1c[nH]c2ncc(Br)cc12 ZINC000659875160 565228494 /nfs/dbraw/zinc/22/84/94/565228494.db2.gz VKKJOXBDVKZGBP-CYBMUJFWSA-N 1 0 377.286 2.678 20 0 GFADRO Nc1ccc(S(=O)(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)c(F)c1 ZINC000659899856 565229498 /nfs/dbraw/zinc/22/94/98/565229498.db2.gz KPZMZLUMNNKVHN-ZDUSSCGKSA-N 1 0 383.514 2.660 20 0 GFADRO C[NH+]1CCC([C@@H]2CC[N@H+](Cc3cnn4cc(Br)cnc34)C2)CC1 ZINC000639176688 565230545 /nfs/dbraw/zinc/23/05/45/565230545.db2.gz JALUWRAMUFLNCD-CQSZACIVSA-N 1 0 378.318 2.656 20 0 GFADRO O=C(CC[NH2+][C@H]1CCCS(=O)(=O)CC1)Nc1cc(Cl)cc(Cl)c1 ZINC000639211004 565233342 /nfs/dbraw/zinc/23/33/42/565233342.db2.gz KEIOWFFPCWSHIK-ZDUSSCGKSA-N 1 0 379.309 2.879 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)c2ccc(Br)cc2-n2cncn2)C1 ZINC000617346242 565233698 /nfs/dbraw/zinc/23/36/98/565233698.db2.gz QFZVGNPYDMLLCE-CYBMUJFWSA-N 1 0 392.301 2.632 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)CCNC(=O)c2ccc(Br)cc2)C1 ZINC000617356682 565233998 /nfs/dbraw/zinc/23/39/98/565233998.db2.gz NUAXZYNKWYRHIZ-OAHLLOKOSA-N 1 0 396.329 2.558 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)Cc2cc3c(cc2Br)OCCO3)C1 ZINC000617356289 565234203 /nfs/dbraw/zinc/23/42/03/565234203.db2.gz FTFLWHYLIQLPLP-ZDUSSCGKSA-N 1 0 397.313 2.752 20 0 GFADRO C[C@](CO)([NH2+]Cc1ccc(S(N)(=O)=O)cc1)c1cc(Cl)cc(Cl)c1 ZINC000639237708 565234476 /nfs/dbraw/zinc/23/44/76/565234476.db2.gz LZUIMTIWRJEFLP-MRXNPFEDSA-N 1 0 389.304 2.638 20 0 GFADRO COc1nsc(C[NH2+]C[C@H](c2nnc[nH]2)c2ccccc2)c1Br ZINC000639236740 565234506 /nfs/dbraw/zinc/23/45/06/565234506.db2.gz WJOOBFUOINTIBD-NSHDSACASA-N 1 0 394.298 2.954 20 0 GFADRO CN1CC[C@H]([NH2+]C[C@]2(C)CCC(=O)N2)C[C@H]1c1ccc(Br)cc1 ZINC000639245282 565234559 /nfs/dbraw/zinc/23/45/59/565234559.db2.gz VGLPLBFOWBGLHT-BQFCYCMXSA-N 1 0 380.330 2.843 20 0 GFADRO Cc1cc(I)ccc1NC(=O)[C@H]1C[NH2+]CCC1(F)F ZINC000591672554 565235322 /nfs/dbraw/zinc/23/53/22/565235322.db2.gz FLMLEWYVGHGQFN-SNVBAGLBSA-N 1 0 380.176 2.783 20 0 GFADRO O[C@@H]1CC[N@H+](Cc2cnn3cc(Br)cnc23)C[C@H]1C1CCCC1 ZINC000639258571 565236266 /nfs/dbraw/zinc/23/62/66/565236266.db2.gz KEFUEBNACOIZEO-JKSUJKDBSA-N 1 0 379.302 2.865 20 0 GFADRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)cc(S(=O)(=O)CC)c2)[C@]12CCCO2 ZINC000639262174 565236659 /nfs/dbraw/zinc/23/66/59/565236659.db2.gz QMDVAWKOSLIAKB-KZNAEPCWSA-N 1 0 387.929 2.950 20 0 GFADRO NS(=O)(=O)c1ccc(CNc2ccc(SCC[NH+]3CCCC3)cc2)o1 ZINC000639292587 565237430 /nfs/dbraw/zinc/23/74/30/565237430.db2.gz KAJYZRMXWBZYKP-UHFFFAOYSA-N 1 0 381.523 2.727 20 0 GFADRO C[NH+](C)C[C@@H]1CCCCN1S(=O)(=O)Cc1ccc(OC(F)(F)F)cc1 ZINC000660009407 565237467 /nfs/dbraw/zinc/23/74/67/565237467.db2.gz RUCGEBBTUGYRQZ-AWEZNQCLSA-N 1 0 380.432 2.831 20 0 GFADRO CS(=O)(=O)Nc1cccc(C[NH2+]CCOc2ccc(Br)cc2)c1 ZINC000591710906 565237732 /nfs/dbraw/zinc/23/77/32/565237732.db2.gz RSRLLLVLEXASGL-UHFFFAOYSA-N 1 0 399.310 2.989 20 0 GFADRO COc1cc(NC(=O)CC[NH2+]CC2([S@](C)=O)CCC2)c(OC)cc1Cl ZINC000591765658 565238554 /nfs/dbraw/zinc/23/85/54/565238554.db2.gz RAEDVUIXJQHDDD-VWLOTQADSA-N 1 0 388.917 2.577 20 0 GFADRO Cc1oc(Br)cc1C(=O)N(CC[NH+](C)C)CC(=O)OC(C)(C)C ZINC000591758681 565239128 /nfs/dbraw/zinc/23/91/28/565239128.db2.gz IITSBDTTWLIAHX-UHFFFAOYSA-N 1 0 389.290 2.696 20 0 GFADRO CSC[C@@H](O)C[NH2+][C@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O ZINC000591758678 565239163 /nfs/dbraw/zinc/23/91/63/565239163.db2.gz IGSJNUJHEFALCB-GJZGRUSLSA-N 1 0 376.444 2.510 20 0 GFADRO COc1nsc(C[NH2+][C@@H]2CCO[C@H]2c2ccc(=O)[nH]c2)c1Br ZINC000639351657 565240706 /nfs/dbraw/zinc/24/07/06/565240706.db2.gz JPJWCLFEYVULHX-RNCFNFMXSA-N 1 0 386.271 2.635 20 0 GFADRO C[NH+]1CCC(n2cc(NCc3cnn4cc(Br)cnc34)cn2)CC1 ZINC000639397895 565243854 /nfs/dbraw/zinc/24/38/54/565243854.db2.gz YCIQZEDSGRNQIA-UHFFFAOYSA-N 1 0 390.289 2.567 20 0 GFADRO CCN(C(=O)C[C@H](NC(C)=O)c1ccc(Br)cc1)[C@@H]1CC[N@H+](C)C1 ZINC000617560726 565247399 /nfs/dbraw/zinc/24/73/99/565247399.db2.gz WFRTVABMTJAFTK-SJORKVTESA-N 1 0 396.329 2.569 20 0 GFADRO CCN(C[C@H]1CCN(CC(=O)N(CC)CC(F)(F)F)C1)CC(F)(F)F ZINC000639509967 565248655 /nfs/dbraw/zinc/24/86/55/565248655.db2.gz ROCICQFTVIWDJR-GFCCVEGCSA-N 1 0 377.373 2.603 20 0 GFADRO CN1CCC2(CC[NH+](C[C@H](O)COc3cc(Cl)cc(Cl)c3)CC2)C1=O ZINC000639614793 565251980 /nfs/dbraw/zinc/25/19/80/565251980.db2.gz OYNYAJNMSKPDRS-HNNXBMFYSA-N 1 0 387.307 2.677 20 0 GFADRO COCC[N@@H+]1CCC[C@H](NC(=O)CCOc2ccc(Cl)cc2Cl)C1 ZINC000592096078 565255025 /nfs/dbraw/zinc/25/50/25/565255025.db2.gz MLNDAUBJZRPZJU-AWEZNQCLSA-N 1 0 375.296 2.989 20 0 GFADRO COCC[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)c2cccc(Br)c2)C1 ZINC000592098684 565255833 /nfs/dbraw/zinc/25/58/33/565255833.db2.gz XYGYBIIPABAAQR-MRXNPFEDSA-N 1 0 383.330 2.954 20 0 GFADRO CN(CCC[NH+](C)C)CCNC(=O)c1cc(Cl)c(F)cc1Br ZINC000617763055 565256614 /nfs/dbraw/zinc/25/66/14/565256614.db2.gz CAKQVEZGADNRCC-UHFFFAOYSA-N 1 0 394.716 2.855 20 0 GFADRO C[NH+](C)C[C@]1(O)CCCN(Cc2ncc(-c3ccccc3Br)o2)C1 ZINC000639761927 565258501 /nfs/dbraw/zinc/25/85/01/565258501.db2.gz KEXZDGJNGGZYSP-GOSISDBHSA-N 1 0 394.313 2.993 20 0 GFADRO O=C(C[NH2+][C@@H]([C@H]1CCCO1)C1(CO)CCC1)Nc1ccccc1Br ZINC000639768698 565258565 /nfs/dbraw/zinc/25/85/65/565258565.db2.gz SFWINCGOSIFDSM-WBVHZDCISA-N 1 0 397.313 2.687 20 0 GFADRO Cc1csc(=O)n1CC[N@@H+]1CC[C@H](Oc2cncc(Br)c2)C1 ZINC000639772187 565259981 /nfs/dbraw/zinc/25/99/81/565259981.db2.gz IGARNIKPYTXVGX-ZDUSSCGKSA-N 1 0 384.299 2.529 20 0 GFADRO C[C@H]1CCCN1C(=O)CC[N@@H+]1CC[C@@H](Oc2cncc(Br)c2)C1 ZINC000639771180 565260286 /nfs/dbraw/zinc/26/02/86/565260286.db2.gz BNNPJTMXIHCUGV-DZGCQCFKSA-N 1 0 382.302 2.698 20 0 GFADRO O=S(=O)(NCC1CC[NH+](CC2CC2)CC1)c1c[nH]c2nccc(Cl)c12 ZINC000660151793 565260814 /nfs/dbraw/zinc/26/08/14/565260814.db2.gz KTTFCXGDACLHNT-UHFFFAOYSA-N 1 0 382.917 2.617 20 0 GFADRO C[N@H+](CC(=O)N[C@]1(Cc2ccc(Cl)cc2)CCCOC1)[C@H]1CCSC1 ZINC000617838450 565263128 /nfs/dbraw/zinc/26/31/28/565263128.db2.gz SEYKIHAJYLCMFO-HKUYNNGSSA-N 1 0 382.957 2.985 20 0 GFADRO O=S(=O)(NC[C@H]1CCC[N@H+](CC2CC2)C1)c1ncccc1C(F)(F)F ZINC000660177892 565263436 /nfs/dbraw/zinc/26/34/36/565263436.db2.gz BVDOKYBSRDVEPH-CYBMUJFWSA-N 1 0 377.432 2.501 20 0 GFADRO Brc1cc2c(cc1C[N@@H+]1CCC[C@H](n3ccnn3)CC1)OCO2 ZINC000639814154 565263688 /nfs/dbraw/zinc/26/36/88/565263688.db2.gz CNSOWLFHGMREMF-ZDUSSCGKSA-N 1 0 379.258 2.997 20 0 GFADRO CC(C)[C@@H]1CN(S(=O)(=O)c2cc(Br)cc3cccnc32)CC[NH2+]1 ZINC000660183259 565264837 /nfs/dbraw/zinc/26/48/37/565264837.db2.gz DHRJTVNPFYJGIX-AWEZNQCLSA-N 1 0 398.326 2.616 20 0 GFADRO O[C@H](COc1cc(Cl)cc(Cl)c1)C[NH+]1CCC(N2CCOCC2)CC1 ZINC000639831723 565265039 /nfs/dbraw/zinc/26/50/39/565265039.db2.gz WYSNCWIJTMXJAG-KRWDZBQOSA-N 1 0 389.323 2.530 20 0 GFADRO Cc1ncc(CNC(=O)CC[NH2+][C@@H](CCO)c2ccc(Cl)c(F)c2)s1 ZINC000639920256 565266978 /nfs/dbraw/zinc/26/69/78/565266978.db2.gz XQBIIXJORMECBL-INIZCTEOSA-N 1 0 385.892 2.964 20 0 GFADRO CC(C)(C[NH2+]Cc1ccc(I)cc1)[C@]1(O)CCOC1 ZINC000592374422 565272832 /nfs/dbraw/zinc/27/28/32/565272832.db2.gz GHKNDGXSRPMUGP-HNNXBMFYSA-N 1 0 375.250 2.558 20 0 GFADRO CC[C@@]1(O)CCCN(Cc2csc(-c3ccc(S(C)(=O)=O)cc3)n2)C1 ZINC000640033084 565274477 /nfs/dbraw/zinc/27/44/77/565274477.db2.gz NVCVQDRRRIRFHA-GOSISDBHSA-N 1 0 380.535 2.951 20 0 GFADRO CN1CC(=O)N(CC[NH+]2CCC(C)(c3ccc(Br)cc3)CC2)C1=O ZINC000660472474 565278036 /nfs/dbraw/zinc/27/80/36/565278036.db2.gz FTVHVHWXVZBUMN-UHFFFAOYSA-N 1 0 394.313 2.697 20 0 GFADRO [NH3+]C[C@@H]1CCCn2ncc(C(=O)NCCc3ccc(Br)s3)c21 ZINC000592482912 565278945 /nfs/dbraw/zinc/27/89/45/565278945.db2.gz SZVYZKBAHZZASF-JTQLQIEISA-N 1 0 383.315 2.516 20 0 GFADRO COCC[C@H](Cc1cccc(Br)c1)C(=O)N(C)CC1C[NH+](C)C1 ZINC000618193301 565279486 /nfs/dbraw/zinc/27/94/86/565279486.db2.gz RAKHTKFFZOKDFR-MRXNPFEDSA-N 1 0 383.330 2.664 20 0 GFADRO O=C(NCc1sccc1Br)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000660511205 565280078 /nfs/dbraw/zinc/28/00/78/565280078.db2.gz GXHQLZFDPZQLHG-GFCCVEGCSA-N 1 0 388.331 2.563 20 0 GFADRO Cc1noc([C@H]2CCN(CC(=O)c3c[nH]c4ncc(Br)cc34)C2)n1 ZINC000660517827 565280493 /nfs/dbraw/zinc/28/04/93/565280493.db2.gz KXQUBBCITDEUMD-JTQLQIEISA-N 1 0 390.241 2.689 20 0 GFADRO CO[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+][C@@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000660534230 565281259 /nfs/dbraw/zinc/28/12/59/565281259.db2.gz DHUPCXOEJPWYRO-XUWVNRHRSA-N 1 0 377.428 2.743 20 0 GFADRO Cc1ccc(Br)cc1CNC(=O)c1cnn2c1[C@H](C[NH3+])CCC2 ZINC000592562078 565282218 /nfs/dbraw/zinc/28/22/18/565282218.db2.gz BIXJRQNHIYSJOX-LBPRGKRZSA-N 1 0 377.286 2.720 20 0 GFADRO Cc1nn(C)c(NC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1Br ZINC000640165212 565282587 /nfs/dbraw/zinc/28/25/87/565282587.db2.gz HIGNBMBOSOAGNK-TZMCWYRMSA-N 1 0 396.333 2.972 20 0 GFADRO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)c1sc2cc(F)ccc2c1Cl ZINC000618302062 565284650 /nfs/dbraw/zinc/28/46/50/565284650.db2.gz COFSFDVPXPHMJM-UHFFFAOYSA-N 1 0 385.892 2.786 20 0 GFADRO Cc1cc(Br)ccc1CNC(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000660635545 565287010 /nfs/dbraw/zinc/28/70/10/565287010.db2.gz IKADUKGAMXRRMF-QGZVFWFLSA-N 1 0 396.329 2.810 20 0 GFADRO C[N@@H+]1CC[C@]2(C1)CCCN(C[C@H](O)COc1ccc(Br)cc1)C2 ZINC000660651811 565288267 /nfs/dbraw/zinc/28/82/67/565288267.db2.gz CKQZVEPYZCPRRJ-WMZOPIPTSA-N 1 0 383.330 2.607 20 0 GFADRO CSc1cccc(C[N@H+](C)CCOc2ccc(S(N)(=O)=O)cc2F)c1 ZINC000660755217 565292119 /nfs/dbraw/zinc/29/21/19/565292119.db2.gz XQALTBJKNDCWKB-UHFFFAOYSA-N 1 0 384.498 2.706 20 0 GFADRO C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1CSCc2ccc(Br)cc21 ZINC000618361259 565292904 /nfs/dbraw/zinc/29/29/04/565292904.db2.gz IQYGSJJVOBUWEK-MLGOLLRUSA-N 1 0 399.354 2.822 20 0 GFADRO CC[N@@H+]1CCCN(CC(=O)N(C)Cc2ccccc2Br)[C@H](C)C1 ZINC000660796781 565294420 /nfs/dbraw/zinc/29/44/20/565294420.db2.gz VOAATOVUEWFROG-OAHLLOKOSA-N 1 0 382.346 2.824 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2nn(CC(F)(F)F)cc2Cl)[C@H](C)C1 ZINC000640295277 565294691 /nfs/dbraw/zinc/29/46/91/565294691.db2.gz TUFBHERAUBEDMR-PWSUYJOCSA-N 1 0 381.830 3.293 20 0 GFADRO COCC[N@H+](C)CCCNC(=O)N1CC[C@@H]1c1ccc(Br)cc1 ZINC000660826464 565295554 /nfs/dbraw/zinc/29/55/54/565295554.db2.gz AQJSRKZPKKPUFA-MRXNPFEDSA-N 1 0 384.318 2.874 20 0 GFADRO C[N@H+](CC(=O)N1CCOC[C@H]1c1ccc(Br)cc1)[C@H]1CCSC1 ZINC000618365007 565296029 /nfs/dbraw/zinc/29/60/29/565296029.db2.gz SWMPXBOZWKEEMV-HOTGVXAUSA-N 1 0 399.354 2.786 20 0 GFADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)CSc1cc(Cl)ccc1Cl ZINC000592790403 565296158 /nfs/dbraw/zinc/29/61/58/565296158.db2.gz XAVXWJFNUMLOBL-GFCCVEGCSA-N 1 0 376.353 2.838 20 0 GFADRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N1CCOc2cc(Br)ccc2C1 ZINC000660886594 565298503 /nfs/dbraw/zinc/29/85/03/565298503.db2.gz GMTAZOBKISKJFG-LRDDRELGSA-N 1 0 394.313 2.836 20 0 GFADRO C[N@@H+]1CC[C@@H](CNC(=O)NCCOCCF)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000660966137 565300546 /nfs/dbraw/zinc/30/05/46/565300546.db2.gz NCCDASJUVAJUSB-BBRMVZONSA-N 1 0 375.847 2.757 20 0 GFADRO C[N@@H+]1CC[C@@H](CNC(=O)NCCOCCF)[C@H]1c1ccc(Cl)c(F)c1 ZINC000660966140 565300568 /nfs/dbraw/zinc/30/05/68/565300568.db2.gz NCCDASJUVAJUSB-XJKSGUPXSA-N 1 0 375.847 2.757 20 0 GFADRO C[C@H](C[NH+]1CCCCC1)NC(=O)Nc1nnc(C(F)(F)C(F)(F)F)s1 ZINC000640383658 565303933 /nfs/dbraw/zinc/30/39/33/565303933.db2.gz NHURDRKKBDLESW-MRVPVSSYSA-N 1 0 387.378 3.188 20 0 GFADRO C[NH+](C)[C@@H]1CCCN(C(=O)Nc2nnc(C(F)(F)C(F)(F)F)s2)CC1 ZINC000640385953 565306157 /nfs/dbraw/zinc/30/61/57/565306157.db2.gz FFVSTZICJPROFN-MRVPVSSYSA-N 1 0 387.378 3.140 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+](C2CCCCC2)C1)c1cnn2cc(Br)cnc12 ZINC000618664263 565309307 /nfs/dbraw/zinc/30/93/07/565309307.db2.gz AKLMWKKPRRYSSM-CYBMUJFWSA-N 1 0 392.301 2.629 20 0 GFADRO COC[C@H]([NH2+]CCOc1cc(F)cc(Br)c1)C1CCOCC1 ZINC000661158203 565310270 /nfs/dbraw/zinc/31/02/70/565310270.db2.gz NHRWUPKUWSAPJZ-INIZCTEOSA-N 1 0 376.266 2.998 20 0 GFADRO C[NH+](C)CCc1cn(CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)nn1 ZINC000640754678 565324403 /nfs/dbraw/zinc/32/44/03/565324403.db2.gz IUWGOCJYSXRTPT-UHFFFAOYSA-N 1 0 375.782 2.693 20 0 GFADRO CC(C)[N@H+](C)C[C@@H](O)CN1CCO[C@H](c2ccc(Br)cc2)[C@H]1C ZINC000661516912 565327325 /nfs/dbraw/zinc/32/73/25/565327325.db2.gz RBMHWACRMAZZSU-OLMNPRSZSA-N 1 0 385.346 2.912 20 0 GFADRO O=C(CC[N@@H+]1CC[C@@H]2NC(=O)CC[C@H]2C1)Nc1ccc(Br)cc1F ZINC000661606112 565329839 /nfs/dbraw/zinc/32/98/39/565329839.db2.gz GOGNHOHJTHHDMD-FZMZJTMJSA-N 1 0 398.276 2.517 20 0 GFADRO O=C(CC[N@@H+]1CC[C@H]2NC(=O)CC[C@@H]2C1)Nc1ccc(Br)cc1F ZINC000661606111 565330543 /nfs/dbraw/zinc/33/05/43/565330543.db2.gz GOGNHOHJTHHDMD-BXUZGUMPSA-N 1 0 398.276 2.517 20 0 GFADRO C[C@@]1(Cc2ccc(OC(F)(F)F)cc2)CCC[N@@H+]1CCNS(C)(=O)=O ZINC000661616944 565332007 /nfs/dbraw/zinc/33/20/07/565332007.db2.gz XZVZWCKTGRDTFJ-HNNXBMFYSA-N 1 0 380.432 2.531 20 0 GFADRO C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+]1C[C@H]2COC[C@@]2(C)C1 ZINC000661705050 565335341 /nfs/dbraw/zinc/33/53/41/565335341.db2.gz ZLGQXYJZYBGICU-QIIPPGSGSA-N 1 0 381.314 2.764 20 0 GFADRO CCCCCNC(=O)[C@@H](C)n1cc([C@H]([NH3+])c2ccc(Br)cc2)nn1 ZINC000640905163 565335919 /nfs/dbraw/zinc/33/59/19/565335919.db2.gz WXOFYIAIUMPXPA-MLGOLLRUSA-N 1 0 394.317 2.956 20 0 GFADRO C[C@@H](C(=O)Nc1ccccc1Br)n1cc(C2CC[NH2+]CC2)nn1 ZINC000640901648 565335941 /nfs/dbraw/zinc/33/59/41/565335941.db2.gz OITSIRRFVGHIOW-NSHDSACASA-N 1 0 378.274 2.707 20 0 GFADRO C[NH2+]C(C)(C)c1cn([C@@H](C)C(=O)N(C)Cc2ccc(Br)cc2)nn1 ZINC000640925179 565337176 /nfs/dbraw/zinc/33/71/76/565337176.db2.gz IBJRSAOEXFNFKA-LBPRGKRZSA-N 1 0 394.317 2.715 20 0 GFADRO [NH3+]Cc1cnn(Cc2cn([C@@H]3CCCc4ccc(Br)cc43)nn2)c1 ZINC000641122157 565348720 /nfs/dbraw/zinc/34/87/20/565348720.db2.gz ACBNYFNXNBEUFA-QGZVFWFLSA-N 1 0 387.285 2.670 20 0 GFADRO COC[C@@H]([NH3+])Cc1cn(Cc2cccc3c(Br)cccc23)nn1 ZINC000641129176 565348863 /nfs/dbraw/zinc/34/88/63/565348863.db2.gz IUGVJSQQYBPFHI-ZDUSSCGKSA-N 1 0 375.270 2.758 20 0 GFADRO O[C@H](COc1ccc(Cl)cc1Br)C[N@@H+]1CCC2(COC2)C1 ZINC000662075502 565349035 /nfs/dbraw/zinc/34/90/35/565349035.db2.gz AUJKHVFDWCEPJN-LBPRGKRZSA-N 1 0 376.678 2.565 20 0 GFADRO [NH3+][C@H](c1cn(CCOc2cc(F)cc(Br)c2)nn1)C1CCOCC1 ZINC000641174048 565352420 /nfs/dbraw/zinc/35/24/20/565352420.db2.gz GFWSCRQUBPEYQS-INIZCTEOSA-N 1 0 399.264 2.685 20 0 GFADRO COCC[C@@H]([NH3+])Cc1cn(Cc2oc3ccccc3c2Br)nn1 ZINC000641202047 565353466 /nfs/dbraw/zinc/35/34/66/565353466.db2.gz CBSARZHUSDMCSV-LLVKDONJSA-N 1 0 379.258 2.741 20 0 GFADRO [NH3+][C@H](c1cn(Cc2ncc(Br)cc2Cl)nn1)C1CCOCC1 ZINC000641206047 565354550 /nfs/dbraw/zinc/35/45/50/565354550.db2.gz KONZBRLABZNPFE-AWEZNQCLSA-N 1 0 386.681 2.564 20 0 GFADRO C[C@H](CCc1ccc(I)cc1)[NH2+]CC[C@]1(O)CCOC1 ZINC000593670947 565355242 /nfs/dbraw/zinc/35/52/42/565355242.db2.gz MWPYFCUGGXXOCN-CJNGLKHVSA-N 1 0 389.277 2.743 20 0 GFADRO COC(=O)c1nn(-c2ccc(Cl)c(Cl)c2)cc1C[NH2+][C@@H](CO)CCF ZINC000593689613 565356125 /nfs/dbraw/zinc/35/61/25/565356125.db2.gz ODDRAFIGUOTDFY-LLVKDONJSA-N 1 0 390.242 2.776 20 0 GFADRO Cc1cc(NC(=O)CC[NH2+][C@@H]2CCOc3ccc(Br)cc32)no1 ZINC000619742569 565357842 /nfs/dbraw/zinc/35/78/42/565357842.db2.gz ICEYUVGKAICCBH-CYBMUJFWSA-N 1 0 380.242 2.609 20 0 GFADRO CCOC(=O)c1c(NC(=O)NCCC2(C[NH3+])CC2)sc2c1CCSC2 ZINC000593764520 565359886 /nfs/dbraw/zinc/35/98/86/565359886.db2.gz YFLPCTDZTFWIGX-UHFFFAOYSA-N 1 0 383.539 2.965 20 0 GFADRO CC(C)([NH3+])c1noc(CN2CCOC[C@H]2c2cccc(Br)c2)n1 ZINC000662310611 565360569 /nfs/dbraw/zinc/36/05/69/565360569.db2.gz LMHWAVSDQRDBKI-ZDUSSCGKSA-N 1 0 381.274 2.599 20 0 GFADRO CN(Cc1nc(-c2cc(Br)cs2)no1)[C@H](C[NH3+])C(F)(F)F ZINC000662330328 565362218 /nfs/dbraw/zinc/36/22/18/565362218.db2.gz YYFGBYFQKUASRW-MRVPVSSYSA-N 1 0 385.209 2.882 20 0 GFADRO O=C(NCCc1ccc(Br)s1)c1cc(C2CC[NH2+]CC2)no1 ZINC000662365490 565363234 /nfs/dbraw/zinc/36/32/34/565363234.db2.gz RYPXFKQOUSYVRA-UHFFFAOYSA-N 1 0 384.299 2.938 20 0 GFADRO CCC[N@@H+]1CC[C@H](NC(=O)c2ccn(-c3ccc(Br)cc3)n2)C1 ZINC000619904072 565363671 /nfs/dbraw/zinc/36/36/71/565363671.db2.gz JQSBVNYYWNQIQU-AWEZNQCLSA-N 1 0 377.286 2.849 20 0 GFADRO C[N@@H+]1CCC[C@H](NC(=O)N2CCO[C@@H](c3ccc(Br)cc3)C2)C1 ZINC000619937832 565363778 /nfs/dbraw/zinc/36/37/78/565363778.db2.gz MMMJRJRXTSCCLW-JKSUJKDBSA-N 1 0 382.302 2.626 20 0 GFADRO C[C@@H](Cc1cccc(Br)c1)NC(=O)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC000662410790 565366518 /nfs/dbraw/zinc/36/65/18/565366518.db2.gz OLLCDMNSCFRVGS-WCQYABFASA-N 1 0 377.286 2.610 20 0 GFADRO O=C(NCCCOc1ccc(Cl)cc1Cl)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC000662424754 565367301 /nfs/dbraw/zinc/36/73/01/565367301.db2.gz YADRANGGDFOBQE-NSHDSACASA-N 1 0 383.279 2.992 20 0 GFADRO COC(=O)c1cc(NC(=O)[C@@H]2CC[C@@H](C3CC3)[NH2+]2)cc(Br)c1F ZINC000593908307 565367527 /nfs/dbraw/zinc/36/75/27/565367527.db2.gz LDGCUTSCYRRLJM-STQMWFEESA-N 1 0 385.233 2.844 20 0 GFADRO COc1ccc(Br)cc1CNC(=O)c1cc(C2CC[NH2+]CC2)no1 ZINC000662425873 565367887 /nfs/dbraw/zinc/36/78/87/565367887.db2.gz KIQNWWCUKIHWCC-UHFFFAOYSA-N 1 0 394.269 2.843 20 0 GFADRO CN(CCc1ccc(Br)cc1)C(=O)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC000662449474 565368300 /nfs/dbraw/zinc/36/83/00/565368300.db2.gz NQNVNFJHHWEYLF-CYBMUJFWSA-N 1 0 377.286 2.564 20 0 GFADRO C[NH+](C)Cc1cc(CNC(=O)[C@@H](N)c2ccccc2Br)ccc1F ZINC000662461967 565369588 /nfs/dbraw/zinc/36/95/88/565369588.db2.gz GKGGZSHAEGPOFT-KRWDZBQOSA-N 1 0 394.288 2.966 20 0 GFADRO O=C(c1sc2c(c1Br)CNC2)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000662520889 565373994 /nfs/dbraw/zinc/37/39/94/565373994.db2.gz BBZCZXAEDMDOQT-MNOVXSKESA-N 1 0 384.343 2.576 20 0 GFADRO O=C(NCCc1cc(Br)ccc1F)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662524967 565374999 /nfs/dbraw/zinc/37/49/99/565374999.db2.gz FAFKIJMSBZIVEA-ZDUSSCGKSA-N 1 0 383.183 2.789 20 0 GFADRO O=C(c1cc(Br)cc2c1OCCO2)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000662523006 565375179 /nfs/dbraw/zinc/37/51/79/565375179.db2.gz NYSLJRLKXFDKLZ-OLZOCXBDSA-N 1 0 395.297 2.682 20 0 GFADRO COCC[NH+]1CCC(NC(=O)Cc2sc(C)nc2-c2cccs2)CC1 ZINC000620276262 565378073 /nfs/dbraw/zinc/37/80/73/565378073.db2.gz MUQKXHQHLQVYSC-UHFFFAOYSA-N 1 0 379.551 2.950 20 0 GFADRO [NH3+][C@H]1CCO[C@H](C2CCN(C(=O)Cc3ccc(Br)cc3F)CC2)C1 ZINC000662575938 565378144 /nfs/dbraw/zinc/37/81/44/565378144.db2.gz RQHGUJXESNSNGZ-RDJZCZTQSA-N 1 0 399.304 2.876 20 0 GFADRO CSC1(CNC(=O)N[C@H](C[C@H]2CCCO2)C(F)(F)F)CC[NH+](C)CC1 ZINC000594177189 565378200 /nfs/dbraw/zinc/37/82/00/565378200.db2.gz YYGQEIHTPURAMH-CHWSQXEVSA-N 1 0 383.480 2.613 20 0 GFADRO [NH3+]C[C@H]1OCC[C@H]1C(=O)NCCCCSc1ccccc1Br ZINC000662591090 565378351 /nfs/dbraw/zinc/37/83/51/565378351.db2.gz VHLVTXVYEMOPKI-TZMCWYRMSA-N 1 0 387.343 2.801 20 0 GFADRO O=C(Cc1ccccc1I)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000594197531 565378809 /nfs/dbraw/zinc/37/88/09/565378809.db2.gz OYZWUKNBEYDEOB-JKSUJKDBSA-N 1 0 398.288 2.967 20 0 GFADRO CC1(C)C[NH2+][C@H]1C1CCN(C(=O)[C@H](N)c2ccccc2Br)CC1 ZINC000662579091 565378474 /nfs/dbraw/zinc/37/84/74/565378474.db2.gz ZDADSODZVPTARI-CVEARBPZSA-N 1 0 380.330 2.686 20 0 GFADRO [NH3+]C[C@H]1OCC[C@H]1C(=O)NCC1(c2ccc(Br)cc2)CCCC1 ZINC000662621138 565379254 /nfs/dbraw/zinc/37/92/54/565379254.db2.gz DXZFKAGWQXQCQN-HZPDHXFCSA-N 1 0 381.314 2.741 20 0 GFADRO O=C(N1CCN(Cc2cccc(Cl)c2)CC1)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662666933 565380511 /nfs/dbraw/zinc/38/05/11/565380511.db2.gz QFEOIMLIMMAEBA-INIZCTEOSA-N 1 0 375.822 2.526 20 0 GFADRO [NH3+]C[C@H]1OCC[C@@H]1C(=O)N1CCC(OCc2ccc(Cl)c(Cl)c2)CC1 ZINC000662639136 565380988 /nfs/dbraw/zinc/38/09/88/565380988.db2.gz JLJQEMBRANWQET-WMLDXEAASA-N 1 0 387.307 2.865 20 0 GFADRO CC[C@@H]([NH3+])C(=O)N1CCc2cc(Br)c(Br)cc2C1 ZINC000662737404 565383357 /nfs/dbraw/zinc/38/33/57/565383357.db2.gz YPBZDWRTRITCQZ-GFCCVEGCSA-N 1 0 376.092 2.834 20 0 GFADRO CCc1nc(C(=O)NCC23CC(C2)C[NH2+]3)nn1-c1c(Cl)cccc1Cl ZINC000662720999 565383595 /nfs/dbraw/zinc/38/35/95/565383595.db2.gz OPVARFQUKZDASV-UHFFFAOYSA-N 1 0 380.279 2.618 20 0 GFADRO CC1(C)CC[NH2+][C@@H]1C(=O)NC1CCN(Cc2ccc(Br)cc2)CC1 ZINC000662750336 565384587 /nfs/dbraw/zinc/38/45/87/565384587.db2.gz BSYSDTWAARALQC-QGZVFWFLSA-N 1 0 394.357 2.918 20 0 GFADRO O=C(c1c(Cl)cccc1Br)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000620474628 565384967 /nfs/dbraw/zinc/38/49/67/565384967.db2.gz IHYYOHZBWMNGFL-LBPRGKRZSA-N 1 0 387.705 2.774 20 0 GFADRO O=C(N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662800299 565385779 /nfs/dbraw/zinc/38/57/79/565385779.db2.gz MWEAJCREHNTMMB-MEBBXXQBSA-N 1 0 379.785 2.716 20 0 GFADRO C[C@H](C(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1)c1ccc(Br)s1 ZINC000620482528 565385953 /nfs/dbraw/zinc/38/59/53/565385953.db2.gz QBNJBSNHIAIHNF-WCQYABFASA-N 1 0 387.343 2.672 20 0 GFADRO O=C(c1c[nH]c2cccc(Br)c12)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000620480779 565386384 /nfs/dbraw/zinc/38/63/84/565386384.db2.gz KTNHXYIBJNAUGQ-CYBMUJFWSA-N 1 0 392.297 2.602 20 0 GFADRO Cc1c(C[NH3+])c(NC(=O)CCCOc2cccc(Br)c2)nn1C ZINC000662839739 565386670 /nfs/dbraw/zinc/38/66/70/565386670.db2.gz WNIRABJABSRACL-UHFFFAOYSA-N 1 0 381.274 2.747 20 0 GFADRO Cc1cc(Br)c(Cl)cc1NC(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000662860431 565388630 /nfs/dbraw/zinc/38/86/30/565388630.db2.gz YUYOUNHKMYJYBZ-GFCCVEGCSA-N 1 0 388.693 2.608 20 0 GFADRO O=C([C@H]1Cc2ccccc2C[NH2+]1)N1CCOc2cc(Br)ccc2C1 ZINC000662938786 565389438 /nfs/dbraw/zinc/38/94/38/565389438.db2.gz HYZSVNANVBKHKO-QGZVFWFLSA-N 1 0 387.277 2.885 20 0 GFADRO C[NH2+]C[C@H](C)NC(=O)Cc1ccc(NC(=O)c2ccc(Br)o2)cc1 ZINC000662959640 565390460 /nfs/dbraw/zinc/39/04/60/565390460.db2.gz KFGQITYASXWPNX-NSHDSACASA-N 1 0 394.269 2.561 20 0 GFADRO C[C@]1(NC(=O)c2cccc(NC(=O)c3ccc(Br)o3)c2)CC[NH2+]C1 ZINC000663009341 565392401 /nfs/dbraw/zinc/39/24/01/565392401.db2.gz SFPOAVFTWPREIP-KRWDZBQOSA-N 1 0 392.253 2.776 20 0 GFADRO Cc1nn(-c2ccc(C(=O)N[C@]3(C)CC[NH2+]C3)cc2)c(C)c1Br ZINC000663007578 565392538 /nfs/dbraw/zinc/39/25/38/565392538.db2.gz DCFLKSIPKUSJEK-QGZVFWFLSA-N 1 0 377.286 2.733 20 0 GFADRO CC[NH+](CC)[C@@H](CNC(=O)CCn1cc(Br)cn1)c1ccco1 ZINC000620725494 565394118 /nfs/dbraw/zinc/39/41/18/565394118.db2.gz ZARKKYRXSMHXMF-AWEZNQCLSA-N 1 0 383.290 2.828 20 0 GFADRO CN1C[C@H]([NH2+]Cc2cc(Br)sc2Br)CCC1=O ZINC000641726562 565396305 /nfs/dbraw/zinc/39/63/05/565396305.db2.gz PUMVJLFMNKNBHF-MRVPVSSYSA-N 1 0 382.121 2.984 20 0 GFADRO C[NH+](C)C[C@](C)(O)CNCc1cc(Br)sc1Br ZINC000641742495 565397106 /nfs/dbraw/zinc/39/71/06/565397106.db2.gz MKNZRCNSKRQTJP-LLVKDONJSA-N 1 0 386.153 2.675 20 0 GFADRO O=c1[nH]c2ccc(C[NH2+]C[C@H](CO)Cc3cccc(Br)c3)cc2[nH]1 ZINC000641759172 565397119 /nfs/dbraw/zinc/39/71/19/565397119.db2.gz BYIFKKIVWZXKED-CQSZACIVSA-N 1 0 390.281 2.972 20 0 GFADRO O=C1NCCC[C@@H]1C[NH2+]Cc1cc(Br)sc1Br ZINC000641761962 565397404 /nfs/dbraw/zinc/39/74/04/565397404.db2.gz CARGSBXWHOEVKE-SSDOTTSWSA-N 1 0 382.121 2.889 20 0 GFADRO CN(c1ccccc1CNc1nn(C)cc1Br)C1CC[NH+](C)CC1 ZINC000641777771 565398696 /nfs/dbraw/zinc/39/86/96/565398696.db2.gz MQIKPTRDQQGHHR-UHFFFAOYSA-N 1 0 392.345 3.325 20 0 GFADRO C[C@@H](NC(=O)C(=O)NC[C@H]1CCCC[NH2+]1)c1cc(F)c(Cl)cc1Cl ZINC000642096189 565405757 /nfs/dbraw/zinc/40/57/57/565405757.db2.gz NCPSNMBTRSQMPG-NXEZZACHSA-N 1 0 376.259 2.568 20 0 GFADRO COc1ncc(C(=O)NC[C@@H]2CCC[N@H+](CC3CC3)C2)cc1Br ZINC000621099596 565406248 /nfs/dbraw/zinc/40/62/48/565406248.db2.gz XCZBIARUOMTANY-ZDUSSCGKSA-N 1 0 382.302 2.705 20 0 GFADRO C[C@]1(NS(=O)(=O)c2ccc(Br)c(Cl)c2Cl)CC[NH2+]C1 ZINC000663312581 565411318 /nfs/dbraw/zinc/41/13/18/565411318.db2.gz DCMOVZGLDQOFCN-NSHDSACASA-N 1 0 388.114 2.786 20 0 GFADRO C[C@H](NC1CC[NH+]([C@H]2CCOC2)CC1)C(=O)Nc1ccc(Br)cc1 ZINC000663303886 565411798 /nfs/dbraw/zinc/41/17/98/565411798.db2.gz KZJIFGPGNIIXDG-GUYCJALGSA-N 1 0 396.329 2.619 20 0 GFADRO C[C@]1(NS(=O)(=O)c2cc(Cl)c(Cl)cc2Br)CC[NH2+]C1 ZINC000663312039 565412021 /nfs/dbraw/zinc/41/20/21/565412021.db2.gz SWWPEGAYJANJQX-NSHDSACASA-N 1 0 388.114 2.786 20 0 GFADRO CC[NH+]1CCN(CCNS(=O)(=O)c2c(C)c(Cl)cc(C)c2Cl)CC1 ZINC000642515637 565413919 /nfs/dbraw/zinc/41/39/19/565413919.db2.gz AWZROBGBLDCBJW-UHFFFAOYSA-N 1 0 394.368 2.526 20 0 GFADRO O[C@@H](C[NH2+]C1CCN([C@@H]2CCOC2)CC1)COc1cc(Cl)ccc1Cl ZINC000663362912 565415373 /nfs/dbraw/zinc/41/53/73/565415373.db2.gz FNFWKPWMVJJSQG-CVEARBPZSA-N 1 0 389.323 2.576 20 0 GFADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)N[C@H]1C[C@H](C)S(=O)(=O)c2sccc21 ZINC000642694402 565416443 /nfs/dbraw/zinc/41/64/43/565416443.db2.gz DFLHWDPSYQOPCQ-YDHLFZDLSA-N 1 0 385.555 2.529 20 0 GFADRO C[NH+]1CCN(Cc2ccc(CNc3cc(Br)cnn3)cc2)CC1 ZINC000663390407 565417906 /nfs/dbraw/zinc/41/79/06/565417906.db2.gz IRCXTICXYGXNMY-UHFFFAOYSA-N 1 0 376.302 2.599 20 0 GFADRO CS[C@H]1CN(S(=O)(=O)Cc2cc(F)ccc2Cl)C[C@H]1[NH+]1CCCC1 ZINC000594767133 565418417 /nfs/dbraw/zinc/41/84/17/565418417.db2.gz LYRMCSGWWCGUPD-CVEARBPZSA-N 1 0 392.949 2.821 20 0 GFADRO COC(=O)c1ccc(Cl)cc1S(=O)(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000594792424 565421208 /nfs/dbraw/zinc/42/12/08/565421208.db2.gz QRVXSMXAWLTWRB-GFCCVEGCSA-N 1 0 388.917 2.525 20 0 GFADRO C[C@H](C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1)c1cccc(Br)c1 ZINC000643229816 565426646 /nfs/dbraw/zinc/42/66/46/565426646.db2.gz RSZZPXSJWTYYGG-GUYCJALGSA-N 1 0 381.314 2.922 20 0 GFADRO O=C(NCCC[N@@H+]1CCc2ccccc2C1)c1cc(Br)c[nH]c1=O ZINC000621536253 565429185 /nfs/dbraw/zinc/42/91/85/565429185.db2.gz DJMAUGABXPXPLK-UHFFFAOYSA-N 1 0 390.281 2.728 20 0 GFADRO C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)Nc1cc(Br)cnn1 ZINC000663656724 565430678 /nfs/dbraw/zinc/43/06/78/565430678.db2.gz AZJPIADGWKXMLY-AWEZNQCLSA-N 1 0 376.302 2.862 20 0 GFADRO CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)c1cc(Br)cnn1 ZINC000663700545 565431320 /nfs/dbraw/zinc/43/13/20/565431320.db2.gz RFORKXINHPYKSI-UHFFFAOYSA-N 1 0 396.377 2.872 20 0 GFADRO O=C(CC[C@H]1CCC[NH2+]C1)N[C@@H]1CCN(c2ccccc2Br)C1 ZINC000621647631 565434948 /nfs/dbraw/zinc/43/49/48/565434948.db2.gz LMEUFBKGXSPJGD-HUUCEWRRSA-N 1 0 380.330 2.924 20 0 GFADRO CC1(C)CN(C(=O)[C@@H]2CCCN2C(=O)c2ccc(Cl)c(Cl)c2)CC[NH2+]1 ZINC000643593510 565434982 /nfs/dbraw/zinc/43/49/82/565434982.db2.gz UNAPGTVDOOXCAR-HNNXBMFYSA-N 1 0 384.307 2.808 20 0 GFADRO C[N@@H+]1CCC[C@H](NC(=O)N2CCOC[C@@H]2c2ccc(Br)cc2)C1 ZINC000663775552 565435290 /nfs/dbraw/zinc/43/52/90/565435290.db2.gz YYWYHHXVETWYNU-JKSUJKDBSA-N 1 0 382.302 2.626 20 0 GFADRO COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000594930774 565435704 /nfs/dbraw/zinc/43/57/04/565435704.db2.gz IUTBRDIBJJRUAY-APHBMKBZSA-N 1 0 397.313 2.573 20 0 GFADRO COC(=O)[C@@H]1C[C@H]1[C@H](C)[NH2+]CCC(=O)Nc1ccc(Br)cc1C ZINC000594925521 565435722 /nfs/dbraw/zinc/43/57/22/565435722.db2.gz MHHVIEFVGKDDAG-FPMFFAJLSA-N 1 0 383.286 2.873 20 0 GFADRO COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]Cc1nnc(-c2ccc(Br)cc2)[nH]1 ZINC000594930919 565435926 /nfs/dbraw/zinc/43/59/26/565435926.db2.gz BTTFVSWQUZXUJQ-OASPWFOLSA-N 1 0 379.258 2.521 20 0 GFADRO [NH3+][C@]12CCC[C@H]1CN(C(=O)c1cnn(-c3cccc(Br)c3)c1)C2 ZINC000621689539 565436838 /nfs/dbraw/zinc/43/68/38/565436838.db2.gz JGVDFCFHENCSPR-GUYCJALGSA-N 1 0 375.270 2.588 20 0 GFADRO CO[C@@H]1CCC[C@H]([C@H](CO)[NH2+]Cc2ccc(I)cc2)C1 ZINC000594965021 565438106 /nfs/dbraw/zinc/43/81/06/565438106.db2.gz NKEUAQDANPYHCZ-IMJJTQAJSA-N 1 0 389.277 2.947 20 0 GFADRO C[C@@H]1CC[N@H+](Cc2ccc(Br)cc2N2CCOCC2)C[C@@H]1CO ZINC000621736552 565439482 /nfs/dbraw/zinc/43/94/82/565439482.db2.gz CXESSKVHYJMDAM-GDBMZVCRSA-N 1 0 383.330 2.736 20 0 GFADRO COCCOCCC[NH2+][C@H]1CCc2ccc(I)cc21 ZINC000595004305 565441241 /nfs/dbraw/zinc/44/12/41/565441241.db2.gz OTGKOQHLYRYFKR-HNNXBMFYSA-N 1 0 375.250 2.921 20 0 GFADRO CCC(=O)N1CC[C@H]([NH2+][C@@H]2CCc3ccc(I)cc32)C1 ZINC000595011683 565442284 /nfs/dbraw/zinc/44/22/84/565442284.db2.gz CVECBRGCGSFOIL-DZGCQCFKSA-N 1 0 384.261 2.879 20 0 GFADRO C[C@@H]1COCCN1CC[NH2+][C@H]1CCc2ccc(I)cc21 ZINC000595010274 565442690 /nfs/dbraw/zinc/44/26/90/565442690.db2.gz FZGLWQDRRAAFPD-WBMJQRKESA-N 1 0 386.277 2.589 20 0 GFADRO NC(=O)C1CCC([NH2+][C@H]2CCc3ccc(I)cc32)CC1 ZINC000595018460 565443465 /nfs/dbraw/zinc/44/34/65/565443465.db2.gz AUXORBAMKOXYON-HGMXIMQMSA-N 1 0 384.261 2.912 20 0 GFADRO CSC[C@@H](CCO)[NH2+][C@H]1CCc2ccc(I)cc21 ZINC000595026528 565443628 /nfs/dbraw/zinc/44/36/28/565443628.db2.gz PCYWKQLYPFFURQ-OCCSQVGLSA-N 1 0 377.291 2.982 20 0 GFADRO OCC[C@@]1(C[NH2+][C@@H]2CCc3ccc(I)cc32)CCOC1 ZINC000595022743 565443869 /nfs/dbraw/zinc/44/38/69/565443869.db2.gz VFCLNIBQBBEVRR-CVEARBPZSA-N 1 0 387.261 2.657 20 0 GFADRO O=C(C[NH2+][C@H]1CCc2ccc(I)cc21)NC1CCCC1 ZINC000595020505 565444008 /nfs/dbraw/zinc/44/40/08/565444008.db2.gz ZVTLVSHSQQUAOE-HNNXBMFYSA-N 1 0 384.261 2.927 20 0 GFADRO O=C1C[C@H](C[NH2+][C@H]2CCc3ccc(I)cc32)CN1C1CC1 ZINC000595044501 565445509 /nfs/dbraw/zinc/44/55/09/565445509.db2.gz BACMHORDBDPPPB-BZNIZROVSA-N 1 0 396.272 2.879 20 0 GFADRO CO[C@H](C[NH2+][C@@H](C)c1ccc(I)cc1)[C@H]1CCOC1 ZINC000595059944 565446085 /nfs/dbraw/zinc/44/60/85/565446085.db2.gz JCHBTGGHHCYAEK-CORIIIEPSA-N 1 0 375.250 2.993 20 0 GFADRO CO[C@H]1C[C@H]2C[C@H]([NH2+]CCNS(=O)(=O)c3ccc(Cl)cc3F)C[C@H]2C1 ZINC000643893075 565449312 /nfs/dbraw/zinc/44/93/12/565449312.db2.gz KGIGIKZJUQKYOF-AIXYUVMFSA-N 1 0 390.908 2.551 20 0 GFADRO C[N@H+](CCNC(=O)N1CCOC[C@H]1c1ccc(Br)cc1)C1CC1 ZINC000664094088 565452229 /nfs/dbraw/zinc/45/22/29/565452229.db2.gz KMDMFZANNXBOEI-INIZCTEOSA-N 1 0 382.302 2.626 20 0 GFADRO C[NH+](C)CC[C@](C)(O)CNC(=O)c1cc(-c2ccc(Br)cc2)no1 ZINC000621959649 565452202 /nfs/dbraw/zinc/45/22/02/565452202.db2.gz BJXFYZDIMUTNOZ-KRWDZBQOSA-N 1 0 396.285 2.537 20 0 GFADRO C[C@@H](NC(=O)N(CC[NH+](C)C)CC(=O)N(C)C)c1cccc(Cl)c1Cl ZINC000664165681 565454417 /nfs/dbraw/zinc/45/44/17/565454417.db2.gz LVQBIJYKTONCPF-GFCCVEGCSA-N 1 0 389.327 2.716 20 0 GFADRO C[C@@H](CNC(=O)[C@@H]1C[NH2+]CCC1(F)F)Oc1cccc(Br)c1 ZINC000644042930 565456264 /nfs/dbraw/zinc/45/62/64/565456264.db2.gz BQPQMXZSIVJHPW-GWCFXTLKSA-N 1 0 377.229 2.577 20 0 GFADRO O=C(NCC12CC(C1)C[NH2+]2)Nc1ccc(Cl)cc1I ZINC000595234838 565457141 /nfs/dbraw/zinc/45/71/41/565457141.db2.gz GNBSVAOAHQXGQV-UHFFFAOYSA-N 1 0 391.640 2.818 20 0 GFADRO [NH3+][C@@H]1CN(C(=O)Nc2cc(I)ccc2Cl)CC[C@H]1F ZINC000595237419 565458214 /nfs/dbraw/zinc/45/82/14/565458214.db2.gz YPSZQCUPZPDZDE-NXEZZACHSA-N 1 0 397.619 2.848 20 0 GFADRO CC[C@H](Cc1ccccc1Br)C(=O)NC[C@@]1(COC)CCC[NH2+]1 ZINC000644126186 565460213 /nfs/dbraw/zinc/46/02/13/565460213.db2.gz HPNYFWDWAAAWKO-RDTXWAMCSA-N 1 0 383.330 2.903 20 0 GFADRO CC[C@@H](C[NH+]1CCCC1)NS(=O)(=O)c1cccc(OC(F)(F)F)c1F ZINC000644189888 565462838 /nfs/dbraw/zinc/46/28/38/565462838.db2.gz COOFLPMSFCYELV-NSHDSACASA-N 1 0 384.395 2.877 20 0 GFADRO C[C@@H](CCNC(=O)N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)[NH+](C)C ZINC000664601903 565469356 /nfs/dbraw/zinc/46/93/56/565469356.db2.gz ZGTLMVXYYZTMSQ-NHYWBVRUSA-N 1 0 387.311 2.738 20 0 GFADRO C[N@H+]1C[C@H]2[C@@H](CCN2S(=O)(=O)c2c(Cl)cc(F)cc2Br)C1 ZINC000644297967 565471237 /nfs/dbraw/zinc/47/12/37/565471237.db2.gz BYEZTMHPQJEWMI-UFBFGSQYSA-N 1 0 397.697 2.566 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc3c(cc2Br)OCO3)[C@H](C)C1 ZINC000622812435 565475827 /nfs/dbraw/zinc/47/58/27/565475827.db2.gz UEIPEXKASBUIGI-RISCZKNCSA-N 1 0 383.286 2.980 20 0 GFADRO COc1ncc(Br)cc1CN1C[C@H](SC)[C@@H]([NH+]2CCCC2)C1 ZINC000595433945 565477882 /nfs/dbraw/zinc/47/78/82/565477882.db2.gz XEPJYACBUYSKNW-GJZGRUSLSA-N 1 0 386.359 2.864 20 0 GFADRO Cc1csc(CC[NH2+]C[C@H](O)COc2cc(F)cc(Br)c2)n1 ZINC000644516730 565479387 /nfs/dbraw/zinc/47/93/87/565479387.db2.gz KYBHOTPVLHXDRD-ZDUSSCGKSA-N 1 0 389.290 2.925 20 0 GFADRO CNC(=O)c1cccc(C[NH2+]C[C@H](O)COc2ccc(Cl)cc2Cl)c1 ZINC000644519129 565479566 /nfs/dbraw/zinc/47/95/66/565479566.db2.gz YOSYNSROPLCVPK-HNNXBMFYSA-N 1 0 383.275 2.883 20 0 GFADRO O[C@@H](C[NH2+][C@H]1CCN(C2CCCC2)C1)COc1ccc(Br)cc1 ZINC000644549926 565481852 /nfs/dbraw/zinc/48/18/52/565481852.db2.gz NNUIXGYDANMEHF-RDJZCZTQSA-N 1 0 383.330 2.795 20 0 GFADRO O[C@H](C[NH2+][C@@H]1CCO[C@@]2(CCOC2)C1)COc1ccc(Cl)c(Cl)c1 ZINC000644613172 565485415 /nfs/dbraw/zinc/48/54/15/565485415.db2.gz MITFGTUXFOLMKD-XNJGSVPQSA-N 1 0 376.280 2.661 20 0 GFADRO COc1ccc(C[NH+](C)C)cc1NC(=O)c1cc(Br)c[nH]c1=O ZINC000623016617 565489684 /nfs/dbraw/zinc/48/96/84/565489684.db2.gz CZMFQDJBASDWHQ-UHFFFAOYSA-N 1 0 380.242 2.872 20 0 GFADRO Cc1ccc(Br)c(CNC(=O)NCCN2C[C@H](C)OC[C@H]2C)c1 ZINC000665141439 565491462 /nfs/dbraw/zinc/49/14/62/565491462.db2.gz BGMIHFUUSPZQBA-KGLIPLIRSA-N 1 0 384.318 2.666 20 0 GFADRO O=C(c1nc(C2CC2)ncc1Br)N1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000623055634 565492644 /nfs/dbraw/zinc/49/26/44/565492644.db2.gz YQDRUKSYTZNSHV-KBPBESRZSA-N 1 0 379.302 2.863 20 0 GFADRO [NH3+]Cc1cc(=O)[nH]c(CN[C@@H]2CCc3c2cc(Br)cc3Cl)n1 ZINC000665291491 565496386 /nfs/dbraw/zinc/49/63/86/565496386.db2.gz CPFVQYPIFOMKPV-CYBMUJFWSA-N 1 0 383.677 2.834 20 0 GFADRO CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)NCC1([NH3+])CCCC1 ZINC000595942792 565501469 /nfs/dbraw/zinc/50/14/69/565501469.db2.gz ZDYTUIZQIFVVMI-HNNXBMFYSA-N 1 0 383.945 2.579 20 0 GFADRO COC(=O)c1sc2c(c1Br)CN(C(=O)[C@H](C(C)C)[C@H](C)[NH3+])C2 ZINC000596003846 565505784 /nfs/dbraw/zinc/50/57/84/565505784.db2.gz SYWZJZBSIAGCOW-GZMMTYOYSA-N 1 0 389.315 2.759 20 0 GFADRO C[C@H](NC(=O)NC[C@H](c1ccccc1)[NH+](C)C)c1ncc(Br)cn1 ZINC000644969372 565505782 /nfs/dbraw/zinc/50/57/82/565505782.db2.gz RFNSILDDAQDWPB-SWLSCSKDSA-N 1 0 392.301 2.902 20 0 GFADRO O=C(NCC[NH+]1CCC1)NCc1c(F)c(F)c(Br)c(F)c1F ZINC000645044137 565508737 /nfs/dbraw/zinc/50/87/37/565508737.db2.gz FICNZSQQKZCZKY-UHFFFAOYSA-N 1 0 384.171 2.510 20 0 GFADRO Cn1ncc(C(F)(F)F)c1CNC(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000623408865 565509162 /nfs/dbraw/zinc/50/91/62/565509162.db2.gz HINSZCXANYVCIG-LBPRGKRZSA-N 1 0 375.420 2.603 20 0 GFADRO Cc1cc(C[NH2+][C@H]2CCN(c3ccccc3C(N)=O)C2)ncc1Br ZINC000623415267 565510007 /nfs/dbraw/zinc/51/00/07/565510007.db2.gz FROTXLMHUTXCEX-ZDUSSCGKSA-N 1 0 389.297 2.620 20 0 GFADRO COCC[N@H+](C)CCCNc1ccc(C(C)=O)cc1I ZINC000596074160 565511928 /nfs/dbraw/zinc/51/19/28/565511928.db2.gz PNWOHEHIYUBRNU-UHFFFAOYSA-N 1 0 390.265 2.874 20 0 GFADRO COc1cc(CNC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)c(Br)cc1O ZINC000645183244 565515708 /nfs/dbraw/zinc/51/57/08/565515708.db2.gz YURMAMSRRXJZTA-KGLIPLIRSA-N 1 0 398.301 2.589 20 0 GFADRO CC[C@H](O)C[NH2+]Cc1cc(Cl)cc(Cl)c1OCCN1CCOCC1 ZINC000623530871 565516325 /nfs/dbraw/zinc/51/63/25/565516325.db2.gz SMVXNOUTQYMDFV-HNNXBMFYSA-N 1 0 377.312 2.565 20 0 GFADRO C[C@@H]([NH2+]C[C@@H](O)COC1CCOCC1)c1ccc(F)c(Br)c1 ZINC000645194509 565516347 /nfs/dbraw/zinc/51/63/47/565516347.db2.gz IKDKBEYWGOIGKP-DGCLKSJQSA-N 1 0 376.266 2.795 20 0 GFADRO Cc1nn(-c2cccc(Br)c2)cc1C[NH2+]C[C@@H](O)[C@@H]1CCCO1 ZINC000623620084 565520551 /nfs/dbraw/zinc/52/05/51/565520551.db2.gz FJOKQGYRZFEKGN-SJORKVTESA-N 1 0 380.286 2.573 20 0 GFADRO CC(C)Oc1ncccc1C[NH2+][C@H](C)Cn1cc(Br)ccc1=O ZINC000666082828 565522087 /nfs/dbraw/zinc/52/20/87/565522087.db2.gz FJKIPLSOEQCGJQ-CYBMUJFWSA-N 1 0 380.286 2.971 20 0 GFADRO COc1ccc2c(c1)OCC[C@H]2[NH2+]Cc1ccc(S(N)(=O)=O)c(Cl)c1 ZINC000666279559 565530462 /nfs/dbraw/zinc/53/04/62/565530462.db2.gz NKCXLNSHJRKPFW-OAHLLOKOSA-N 1 0 382.869 2.609 20 0 GFADRO COc1ncc(S(=O)(=O)N(C)CC[N@H+](C)C2CCCCC2)cc1Cl ZINC000645494566 565531749 /nfs/dbraw/zinc/53/17/49/565531749.db2.gz TZVLGUWOYHAVJX-UHFFFAOYSA-N 1 0 375.922 2.629 20 0 GFADRO C[C@@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+]CC(=O)NCC(F)(F)F ZINC000623876049 565534116 /nfs/dbraw/zinc/53/41/16/565534116.db2.gz GFHBAGJYAFWTQH-ZETCQYMHSA-N 1 0 377.716 2.953 20 0 GFADRO Cc1ccc(Br)cc1[C@@H](C)[NH2+][C@@H]1CCN(CCN2CCOCC2)C1 ZINC000623894814 565534245 /nfs/dbraw/zinc/53/42/45/565534245.db2.gz BRVWHIXBBYIIOA-SJLPKXTDSA-N 1 0 396.373 2.815 20 0 GFADRO COC(=O)c1cc(NC(=O)NCC[C@@H](C)[NH+](C)C)c(Br)cc1F ZINC000596765297 565534612 /nfs/dbraw/zinc/53/46/12/565534612.db2.gz IMAGLARBSGKTNB-SECBINFHSA-N 1 0 390.253 2.837 20 0 GFADRO Cc1ccc(Br)cc1[C@H](C)[NH2+]C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000623923439 565535058 /nfs/dbraw/zinc/53/50/58/565535058.db2.gz ATQLNVITGNEPHH-QWHCGFSZSA-N 1 0 375.332 2.690 20 0 GFADRO C[C@H]([NH2+]CC1(OCCO)CCOCC1)c1cc(F)c(Br)cc1F ZINC000623979094 565537859 /nfs/dbraw/zinc/53/78/59/565537859.db2.gz PTXCKDYGZVKJLT-NSHDSACASA-N 1 0 394.256 2.936 20 0 GFADRO C[C@H]([NH2+]CCNS(=O)(=O)c1cccc(Cl)c1Cl)[C@H]1CCCCO1 ZINC000623982042 565538480 /nfs/dbraw/zinc/53/84/80/565538480.db2.gz AQKFVGGMRUQWTQ-WCQYABFASA-N 1 0 381.325 2.819 20 0 GFADRO CC[C@H](CNS(C)(=O)=O)[NH2+][C@H](C)Cc1ncc(C(F)(F)F)cc1Cl ZINC000623993024 565539078 /nfs/dbraw/zinc/53/90/78/565539078.db2.gz GOMBZNWSNBDAON-MWLCHTKSSA-N 1 0 387.855 2.602 20 0 GFADRO C[C@@H](CC[NH+](C)C)NS(=O)(=O)Cc1ccc(Br)cc1Cl ZINC000645567409 565539167 /nfs/dbraw/zinc/53/91/67/565539167.db2.gz JPGHZIVOGBRKJJ-JTQLQIEISA-N 1 0 383.739 2.862 20 0 GFADRO CCC[N@@H+]1CC[C@@H](NC(=O)Nc2cccc(C(=O)OC)c2Br)C1 ZINC000596873183 565539135 /nfs/dbraw/zinc/53/91/35/565539135.db2.gz SZRGVFCPDBEIMV-LLVKDONJSA-N 1 0 384.274 2.842 20 0 GFADRO C[C@H]([NH2+]Cc1c(C(F)(F)F)cnn1C)c1ccc(NS(C)(=O)=O)cc1 ZINC000624053060 565540840 /nfs/dbraw/zinc/54/08/40/565540840.db2.gz XUKGUYGHGOLJQD-JTQLQIEISA-N 1 0 376.404 2.661 20 0 GFADRO COc1ccc(C(C)(C)C)cc1S(=O)(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000645583496 565541475 /nfs/dbraw/zinc/54/14/75/565541475.db2.gz RHTZXTDHQJCUGW-GOSISDBHSA-N 1 0 386.583 2.708 20 0 GFADRO COc1cc(I)ccc1NC(=O)NCC[C@@H](C)[NH+](C)C ZINC000596924356 565542170 /nfs/dbraw/zinc/54/21/70/565542170.db2.gz PCBBTLDVPVCXIP-SNVBAGLBSA-N 1 0 391.253 2.762 20 0 GFADRO C[C@H]([NH2+][C@H]1CCN(c2ccc3nncn3n2)C1)c1cc(Br)cs1 ZINC000624115962 565543688 /nfs/dbraw/zinc/54/36/88/565543688.db2.gz GFYHRRFKSPJVPL-JQWIXIFHSA-N 1 0 393.314 2.878 20 0 GFADRO CC(C)Sc1ccc(Cl)cc1NC(=O)C(=O)N1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC000645618444 565545464 /nfs/dbraw/zinc/54/54/64/565545464.db2.gz KRLYJIXOZCHQJH-SWLSCSKDSA-N 1 0 381.929 2.942 20 0 GFADRO O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)[C@@H]1CCO[C@H]1c1cncc(Br)c1 ZINC000666608162 565545660 /nfs/dbraw/zinc/54/56/60/565545660.db2.gz IAAQQZAXMHJEMK-NXOAAHMSSA-N 1 0 394.313 2.665 20 0 GFADRO C[C@@H](CC[NH+](C)C)NC(=O)Nc1ccc(I)cc1F ZINC000597018546 565546132 /nfs/dbraw/zinc/54/61/32/565546132.db2.gz PVVXAZDXAFESFP-VIFPVBQESA-N 1 0 379.217 2.892 20 0 GFADRO C[C@@H]([NH2+]C[C@@H]1CN(Cc2ccncc2)CCO1)c1ccc(Br)cn1 ZINC000624264250 565550222 /nfs/dbraw/zinc/55/02/22/565550222.db2.gz WYUSMUUHDMUGOH-RHSMWYFYSA-N 1 0 391.313 2.791 20 0 GFADRO CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+]CCN(C)CC(F)F)cc1 ZINC000624321854 565551229 /nfs/dbraw/zinc/55/12/29/565551229.db2.gz BHKJRRMIXJVDIL-AWEZNQCLSA-N 1 0 377.501 2.565 20 0 GFADRO [NH3+]C[C@@H](Cc1ccccc1)[C@H]1CCCCN1S(=O)(=O)CCC(F)(F)F ZINC000624362072 565552111 /nfs/dbraw/zinc/55/21/11/565552111.db2.gz GEDGKOMWLKJKIQ-HZPDHXFCSA-N 1 0 378.460 2.941 20 0 GFADRO Ic1ccc2c(c1)[C@H]([NH2+]CCN1CCCOCC1)CC2 ZINC000597133341 565552928 /nfs/dbraw/zinc/55/29/28/565552928.db2.gz RSYXINHUFXQJQG-MRXNPFEDSA-N 1 0 386.277 2.590 20 0 GFADRO Clc1ccc(I)c(C[NH2+]CCN2CCCOCC2)c1 ZINC000597133600 565553076 /nfs/dbraw/zinc/55/30/76/565553076.db2.gz VEGADQOXUNDKLQ-UHFFFAOYSA-N 1 0 394.684 2.757 20 0 GFADRO CC[C@H](C)[NH2+][C@@H](CNS(=O)(=O)c1cnc(OC)c(Cl)c1)c1ccco1 ZINC000645709761 565554428 /nfs/dbraw/zinc/55/44/28/565554428.db2.gz SMILPRNIMJFUQP-FZMZJTMJSA-N 1 0 387.889 2.744 20 0 GFADRO COc1cc(Br)c(C[NH2+][C@@H]2CCC[C@H]([S@](C)=O)C2)cc1O ZINC000597183327 565554523 /nfs/dbraw/zinc/55/45/23/565554523.db2.gz STMYFRHNQPQKJA-IDFMNXDXSA-N 1 0 376.316 2.943 20 0 GFADRO CCOc1ccc(S(=O)(=O)N2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1C ZINC000624391349 565554628 /nfs/dbraw/zinc/55/46/28/565554628.db2.gz VVHFTZYWTRQVKP-TZMCWYRMSA-N 1 0 380.432 2.542 20 0 GFADRO CCc1cccc(CC)c1S(=O)(=O)N1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000624391280 565554928 /nfs/dbraw/zinc/55/49/28/565554928.db2.gz ULEDESCKZDNUGT-HUUCEWRRSA-N 1 0 378.460 2.959 20 0 GFADRO O=C(NC1CC[NH+](CC2CC2)CC1)c1cc(Br)cc2c1OCCO2 ZINC000666773431 565556894 /nfs/dbraw/zinc/55/68/94/565556894.db2.gz UEDSWGPVFVIRFZ-UHFFFAOYSA-N 1 0 395.297 2.825 20 0 GFADRO CN1CCN(C(=O)Nc2ccc(Br)cc2C(F)(F)F)[C@H](C[NH3+])C1 ZINC000666894883 565562582 /nfs/dbraw/zinc/56/25/82/565562582.db2.gz BGQIDOOIFUREOE-SNVBAGLBSA-N 1 0 395.223 2.575 20 0 GFADRO C[C@@H](NC(=O)N(C)CC1C[NH+](C)C1)c1cc(F)c(Br)cc1F ZINC000624547995 565563484 /nfs/dbraw/zinc/56/34/84/565563484.db2.gz CBRLWGRQMCAEKK-SECBINFHSA-N 1 0 376.245 2.991 20 0 GFADRO CCC[N@@H+]1CC[C@H](NC(=O)NC(C)(C)COc2ncccc2Br)C1 ZINC000666923707 565563655 /nfs/dbraw/zinc/56/36/55/565563655.db2.gz QCPSTKQYLZGTMG-ZDUSSCGKSA-N 1 0 399.333 2.785 20 0 GFADRO CCN(C(=O)Nc1ccnn1-c1ccc(Br)cn1)[C@@H]1CC[N@H+](C)C1 ZINC000666959236 565564700 /nfs/dbraw/zinc/56/47/00/565564700.db2.gz UWVVJTBKBSKRMM-CYBMUJFWSA-N 1 0 393.289 2.588 20 0 GFADRO Cc1cccc(NC(=O)C(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)c1Br ZINC000645820385 565565056 /nfs/dbraw/zinc/56/50/56/565565056.db2.gz QFHVJCWGAAJEKA-GOSISDBHSA-N 1 0 394.313 2.640 20 0 GFADRO C[N@@H+]1CCCC[C@@H](CNC(=O)NCC(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000624616873 565566023 /nfs/dbraw/zinc/56/60/23/565566023.db2.gz OVOPJHUBXGQEBU-LBPRGKRZSA-N 1 0 387.311 2.963 20 0 GFADRO COC(=O)c1cc(Br)cc(C(=O)NCC23CCC[NH+]2CCC3)c1 ZINC000597588806 565566401 /nfs/dbraw/zinc/56/64/01/565566401.db2.gz PMGGKEYGHOMFBF-UHFFFAOYSA-N 1 0 381.270 2.594 20 0 GFADRO CC(C)S(=O)(=O)c1c(Cl)cccc1NC(=O)NCC[C@@H](C)[NH+](C)C ZINC000667050640 565567330 /nfs/dbraw/zinc/56/73/30/565567330.db2.gz IXIAFMMABVOSAJ-GFCCVEGCSA-N 1 0 375.922 2.984 20 0 GFADRO O=C(NC[C@H]1CCCC[NH2+]1)Nc1cc(Br)ccc1-n1cccn1 ZINC000667088144 565569451 /nfs/dbraw/zinc/56/94/51/565569451.db2.gz AEVHRBFGGAFBBY-CYBMUJFWSA-N 1 0 378.274 2.898 20 0 GFADRO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)c1cc(I)c(F)cc1F ZINC000597702238 565570696 /nfs/dbraw/zinc/57/06/96/565570696.db2.gz ZNFHYNCHTKIOCJ-AMIZOPFISA-N 1 0 394.203 2.734 20 0 GFADRO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1ccc(F)c(I)c1 ZINC000597700177 565570852 /nfs/dbraw/zinc/57/08/52/565570852.db2.gz MERREJMPBHZKGX-RNCFNFMXSA-N 1 0 376.213 2.595 20 0 GFADRO COc1ccc(Br)cc1C1([NH2+]C[C@H](C)CS(C)(=O)=O)CC1 ZINC000645974241 565579425 /nfs/dbraw/zinc/57/94/25/565579425.db2.gz CHHGCLUKIBEESU-NSHDSACASA-N 1 0 376.316 2.717 20 0 GFADRO C[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCN(c3ccc(Cl)c(Cl)c3)C1=O)C2 ZINC000646020513 565582647 /nfs/dbraw/zinc/58/26/47/565582647.db2.gz LTADUCFJKIMHEH-CYBMUJFWSA-N 1 0 382.291 2.510 20 0 GFADRO Cc1nccnc1C(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000667427528 565586629 /nfs/dbraw/zinc/58/66/29/565586629.db2.gz ISKJNHUIQLFXKO-UHFFFAOYSA-N 1 0 377.286 2.752 20 0 GFADRO C[C@@H]1CN(C(=O)[C@](C)([NH3+])c2ccc(Br)cc2)C[C@@H](C(F)(F)F)O1 ZINC000646135909 565587979 /nfs/dbraw/zinc/58/79/79/565587979.db2.gz DAFUPYFEMWHDJN-LJWDBELGSA-N 1 0 395.219 2.801 20 0 GFADRO Cc1c(F)c(Br)ccc1NC(=O)NCCN(C)CCC[NH+](C)C ZINC000667505479 565591268 /nfs/dbraw/zinc/59/12/68/565591268.db2.gz QKEVEYZFJFJFJQ-UHFFFAOYSA-N 1 0 389.313 2.902 20 0 GFADRO C[NH+]1CCC2(CCN(C(=O)c3cc4c(c(Br)c3)OCO4)C2)CC1 ZINC000646251093 565592192 /nfs/dbraw/zinc/59/21/92/565592192.db2.gz LEZGUKGPUKKLFJ-UHFFFAOYSA-N 1 0 381.270 2.736 20 0 GFADRO O=C(Nc1ccc(Br)c2ccccc12)C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000667507326 565592615 /nfs/dbraw/zinc/59/26/15/565592615.db2.gz MZOUNXVRPZZMPB-LBPRGKRZSA-N 1 0 390.281 2.799 20 0 GFADRO CC(C)C[NH+]1CCN([C@H]2CCc3cc(Br)ccc3NC2=O)CC1 ZINC000625045120 565592828 /nfs/dbraw/zinc/59/28/28/565592828.db2.gz STCBDIXGQPMPKC-KRWDZBQOSA-N 1 0 380.330 2.976 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CN(C(=O)Nc2cc(F)c(Br)cc2Cl)CCO1 ZINC000667546829 565593245 /nfs/dbraw/zinc/59/32/45/565593245.db2.gz SKNMYGNDXMMHMN-KRTXAFLBSA-N 1 0 380.645 2.822 20 0 GFADRO CC[C@@H]1CN(C(=O)C(=O)Nc2cc(Cl)cc(C(F)(F)F)c2)CC[C@H]1[NH3+] ZINC000667546355 565593409 /nfs/dbraw/zinc/59/34/09/565593409.db2.gz IUBWUMBWRDTCTF-NOZJJQNGSA-N 1 0 377.794 2.883 20 0 GFADRO COCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](Cc2cncc(Br)c2C)C1 ZINC000667544078 565593588 /nfs/dbraw/zinc/59/35/88/565593588.db2.gz VFENRFTYGBEEHU-TZMCWYRMSA-N 1 0 384.318 2.516 20 0 GFADRO CC[C@@H]1CN(C(=O)C(=O)Nc2ccc(Cl)cc2Br)CC[C@H]1[NH3+] ZINC000667550661 565594190 /nfs/dbraw/zinc/59/41/90/565594190.db2.gz QPTDGIUBMKLNEJ-BXKDBHETSA-N 1 0 388.693 2.627 20 0 GFADRO Cc1ncsc1-c1ccc(C[NH+]2CCC(N(C)S(C)(=O)=O)CC2)cc1 ZINC000667560218 565594410 /nfs/dbraw/zinc/59/44/10/565594410.db2.gz RDQCKICLQWNBPE-UHFFFAOYSA-N 1 0 379.551 2.974 20 0 GFADRO CC[C@H]1CN(C(=O)C(=O)Nc2nc(-c3ccc(C)s3)cs2)CC[C@H]1[NH3+] ZINC000667550594 565594933 /nfs/dbraw/zinc/59/49/33/565594933.db2.gz POJHURMNSKGTEF-NWDGAFQWSA-N 1 0 378.523 2.704 20 0 GFADRO CCC(F)(F)C(C)(C)CS(=O)(=O)N1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000625080209 565596163 /nfs/dbraw/zinc/59/61/63/565596163.db2.gz MWYYNAPUZRRQBI-RRFJBIMHSA-N 1 0 382.517 2.571 20 0 GFADRO CCC(=O)N[C@@H]1CCCN([C@H]2CCc3cc(Br)ccc3NC2=O)C1 ZINC000625119195 565600106 /nfs/dbraw/zinc/60/01/06/565600106.db2.gz MPKVURYWORLJTP-ZBFHGGJFSA-N 1 0 394.313 2.693 20 0 GFADRO O=C1Nc2ccc(Br)cc2CC[C@@H]1N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000625131996 565601142 /nfs/dbraw/zinc/60/11/42/565601142.db2.gz QLVINJPOLYIMBJ-WBVHZDCISA-N 1 0 378.314 2.873 20 0 GFADRO O=C(c1cc(Br)c2c(c1)OCCO2)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000646386030 565601258 /nfs/dbraw/zinc/60/12/58/565601258.db2.gz QHVWQFJQDFQVED-OLZOCXBDSA-N 1 0 395.297 2.682 20 0 GFADRO O=C(NCCC[NH2+]C1CC1)C(=O)Nc1ccccc1SCC(F)(F)F ZINC000667710295 565603102 /nfs/dbraw/zinc/60/31/02/565603102.db2.gz MQZAQZLNJFMMMM-UHFFFAOYSA-N 1 0 375.416 2.538 20 0 GFADRO CN1CC[NH+](CC2CN(C(=O)[C@H]3C[C@H]3c3cc(Cl)cc(Cl)c3)C2)CC1 ZINC000646460789 565603571 /nfs/dbraw/zinc/60/35/71/565603571.db2.gz LDSHRALOXONIHX-ROUUACIJSA-N 1 0 382.335 2.803 20 0 GFADRO O=C(NCc1cc(F)ccc1Br)Nc1cnc2c(c1)C[NH2+]CC2 ZINC000667793865 565606245 /nfs/dbraw/zinc/60/62/45/565606245.db2.gz PWFZTQULVXTVSH-UHFFFAOYSA-N 1 0 379.233 2.951 20 0 GFADRO Cn1ccnc1[C@@H]1CC[N@@H+]([C@H]2CCc3cc(Br)ccc3NC2=O)C1 ZINC000625265915 565613744 /nfs/dbraw/zinc/61/37/44/565613744.db2.gz KPQQBCDADBGDBH-CJNGLKHVSA-N 1 0 389.297 2.925 20 0 GFADRO COCCO[C@@H]1CCCN([C@@H]2CCc3cc(Br)ccc3NC2=O)C1 ZINC000625272785 565615253 /nfs/dbraw/zinc/61/52/53/565615253.db2.gz VJFNVWYWTVAUMP-NVXWUHKLSA-N 1 0 397.313 2.830 20 0 GFADRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1cc(Br)cc2[nH]c(=O)[nH]c21 ZINC000646741840 565616348 /nfs/dbraw/zinc/61/63/48/565616348.db2.gz JJZSEIMNWMZGTD-MNOVXSKESA-N 1 0 395.301 2.881 20 0 GFADRO CCCN(C(=O)C(=O)Nc1cc(C)ccc1Br)[C@@H]1CC[N@H+](C)C1 ZINC000646766302 565617788 /nfs/dbraw/zinc/61/77/88/565617788.db2.gz VVJLHWJOYBPZNE-CYBMUJFWSA-N 1 0 382.302 2.639 20 0 GFADRO C[C@H]([NH2+]C[C@@H](O)CC1(O)CCC1)c1cc2c(cc1Br)OCCO2 ZINC000625291929 565617765 /nfs/dbraw/zinc/61/77/65/565617765.db2.gz ZCVCRMXMUINWIE-RYUDHWBXSA-N 1 0 386.286 2.537 20 0 GFADRO C[C@H]1CCCN(C(=O)CNC(=O)c2sc3ccccc3c2Cl)[C@H]1C[NH3+] ZINC000646772725 565618332 /nfs/dbraw/zinc/61/83/32/565618332.db2.gz WBCYANJAZCOJBJ-AAEUAGOBSA-N 1 0 379.913 2.870 20 0 GFADRO CCC[N@H+](C)CC(C)(C)NC(=O)c1ccc(I)cn1 ZINC000598464802 565620326 /nfs/dbraw/zinc/62/03/26/565620326.db2.gz HTAQVYBQBCTLIE-UHFFFAOYSA-N 1 0 375.254 2.536 20 0 GFADRO C[C@H]([NH3+])[C@H]1CN(C(=O)CCCSc2ccc(Br)cc2)CCO1 ZINC000646845231 565623127 /nfs/dbraw/zinc/62/31/27/565623127.db2.gz HGTDATBPZXRKHC-SWLSCSKDSA-N 1 0 387.343 2.896 20 0 GFADRO CC[C@@H]1CN(C(=O)c2ccc(F)c(I)c2)C[C@H](C)[NH2+]1 ZINC000598530935 565623597 /nfs/dbraw/zinc/62/35/97/565623597.db2.gz AFANVKKKPZFUSA-GXSJLCMTSA-N 1 0 376.213 2.643 20 0 GFADRO CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1cc(Br)cc2[nH]c(=O)[nH]c21 ZINC000646901200 565625687 /nfs/dbraw/zinc/62/56/87/565625687.db2.gz YALLCQYDCDQMSF-NSHDSACASA-N 1 0 383.290 2.737 20 0 GFADRO Cc1sc2ncnc(SCCC(=O)N3CC[C@@H]4C[N@@H+](C)C[C@@H]43)c2c1C ZINC000646927371 565627075 /nfs/dbraw/zinc/62/70/75/565627075.db2.gz JGUNKVVEDRICLG-KGLIPLIRSA-N 1 0 376.551 2.953 20 0 GFADRO CCC[C@H]1C[NH2+]CCN1C(=O)c1cc(=O)[nH]c2ccc(Br)cc21 ZINC000646961222 565629840 /nfs/dbraw/zinc/62/98/40/565629840.db2.gz RGDZIYHBRWOCJN-LBPRGKRZSA-N 1 0 378.270 2.917 20 0 GFADRO C[C@@H](CC(=O)N(CCC[NH3+])Cc1ccccc1)n1cc(Br)cn1 ZINC000647023703 565633140 /nfs/dbraw/zinc/63/31/40/565633140.db2.gz ILGYVCXWJLNNEW-AWEZNQCLSA-N 1 0 379.302 2.974 20 0 GFADRO [NH3+][C@]12CCC[C@@H]1CN(C(=O)c1ccc(I)cc1Cl)C2 ZINC000598669909 565634133 /nfs/dbraw/zinc/63/41/33/565634133.db2.gz NPORTGJOYBMUJL-OTYXRUKQSA-N 1 0 390.652 2.898 20 0 GFADRO O=C(N[C@@H]1CC12CC[NH2+]CC2)[C@@H](c1ccc(Br)cc1)N1CCCC1 ZINC000647056163 565634591 /nfs/dbraw/zinc/63/45/91/565634591.db2.gz UZRCIRAEJFKYCW-IAGOWNOFSA-N 1 0 392.341 2.844 20 0 GFADRO C[NH+]1CCC(O)(CNC(=O)Nc2ccc(OC(F)(F)F)cc2Cl)CC1 ZINC000668246659 565636113 /nfs/dbraw/zinc/63/61/13/565636113.db2.gz MNHZISFKFSKHQU-UHFFFAOYSA-N 1 0 381.782 2.817 20 0 GFADRO O=C(Nc1ccc(OC(F)(F)F)cc1Cl)NC1CC[NH+](CCO)CC1 ZINC000668247500 565636149 /nfs/dbraw/zinc/63/61/49/565636149.db2.gz FYQFJHXMMGDPCA-UHFFFAOYSA-N 1 0 381.782 2.817 20 0 GFADRO Brc1ccc2nc(CN3CCC([NH+]4CCOCC4)CC3)oc2c1 ZINC000625545137 565637346 /nfs/dbraw/zinc/63/73/46/565637346.db2.gz NRIXCNBHTMMBDC-UHFFFAOYSA-N 1 0 380.286 2.887 20 0 GFADRO CC(C)CN(CC[NH+](C)C)C(=O)c1cc(Br)cc2c1OCCO2 ZINC000668300439 565638649 /nfs/dbraw/zinc/63/86/49/565638649.db2.gz MYYNNQAWCRBKSA-UHFFFAOYSA-N 1 0 385.302 2.880 20 0 GFADRO CCN1CC[NH+](CCCCNC(=O)c2ccc(Br)c(OC)c2)CC1 ZINC000625554208 565638676 /nfs/dbraw/zinc/63/86/76/565638676.db2.gz INNGFNGOHUYJMC-UHFFFAOYSA-N 1 0 398.345 2.605 20 0 GFADRO COc1cc(C(=O)N(C)CC[N@H+](C)C2CCN(C)CC2)ccc1Br ZINC000625560722 565638927 /nfs/dbraw/zinc/63/89/27/565638927.db2.gz PHPJVPMGTUZQIF-UHFFFAOYSA-N 1 0 398.345 2.556 20 0 GFADRO CCCN(CCC[NH+](C)C)C(=O)C(=O)NCc1csc(C(F)(F)F)c1 ZINC000625577718 565641108 /nfs/dbraw/zinc/64/11/08/565641108.db2.gz KVMKYBCQQFQGBX-UHFFFAOYSA-N 1 0 379.448 2.573 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+]CCCc2nc3c(s2)CCCC3)c(F)c1 ZINC000647178125 565644151 /nfs/dbraw/zinc/64/41/51/565644151.db2.gz BAAPHROHRADWGY-UHFFFAOYSA-N 1 0 383.514 2.531 20 0 GFADRO O=S(=O)(c1ccc(OC(F)F)c(Cl)c1)N(C1CC1)C1CC[NH2+]CC1 ZINC000647190357 565644194 /nfs/dbraw/zinc/64/41/94/565644194.db2.gz WEXYORBOFJGRFG-UHFFFAOYSA-N 1 0 380.844 2.847 20 0 GFADRO Cc1cc(Br)cc(C(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)c1C ZINC000668377693 565644620 /nfs/dbraw/zinc/64/46/20/565644620.db2.gz DNTMOAZBVBPHNT-IRXDYDNUSA-N 1 0 381.314 2.737 20 0 GFADRO COc1ccccc1[C@@H]([NH3+])CNS(=O)(=O)c1cc(Br)ccc1C ZINC000647186432 565644653 /nfs/dbraw/zinc/64/46/53/565644653.db2.gz MJWKCAATTFHCJH-AWEZNQCLSA-N 1 0 399.310 2.744 20 0 GFADRO CCOc1c(Br)cc(C[N@@H+]2CC[C@H](Cn3ccnn3)C2)cc1OC ZINC000668451640 565647138 /nfs/dbraw/zinc/64/71/38/565647138.db2.gz LUNBETVJHVPTKS-ZDUSSCGKSA-N 1 0 395.301 2.970 20 0 GFADRO CCC(CC)(C[NH3+])NS(=O)(=O)c1ccc2c(Br)cn(C)c2c1 ZINC000647220910 565647231 /nfs/dbraw/zinc/64/72/31/565647231.db2.gz RCIQODXDCAAECZ-UHFFFAOYSA-N 1 0 388.331 2.737 20 0 GFADRO CCOc1cc(C[NH2+]CCCc2ncn(C)n2)cc(Br)c1OC ZINC000647230765 565647624 /nfs/dbraw/zinc/64/76/24/565647624.db2.gz MRQWUMHLACUBLG-UHFFFAOYSA-N 1 0 383.290 2.707 20 0 GFADRO CS(=O)(=O)CCCC[NH2+]Cc1cc(OC(F)F)ccc1Br ZINC000647219082 565647704 /nfs/dbraw/zinc/64/77/04/565647704.db2.gz BGWZYKVGVYKCFG-UHFFFAOYSA-N 1 0 386.258 2.965 20 0 GFADRO O=S(=O)(c1cc(Cl)ccc1OCC1CCC1)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000647264305 565650368 /nfs/dbraw/zinc/65/03/68/565650368.db2.gz XFPCDQDJRWTSGI-ZBFHGGJFSA-N 1 0 384.929 2.891 20 0 GFADRO O=S(=O)(c1ccc2cc(Br)ccc2c1)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000647263994 565650693 /nfs/dbraw/zinc/65/06/93/565650693.db2.gz LQIHPTPKPCNLTP-PXAZEXFGSA-N 1 0 395.322 2.975 20 0 GFADRO CO[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+][C@H](C)CCCOc1ccc(Cl)c(C)c1 ZINC000668507564 565651437 /nfs/dbraw/zinc/65/14/37/565651437.db2.gz PAESJUCZUAKKQO-XOKHGSTOSA-N 1 0 375.918 2.598 20 0 GFADRO CC[C@H]1CN(S(=O)(=O)c2cnn(-c3ccc(Cl)cc3)c2C)CC[C@H]1[NH3+] ZINC000647269485 565651560 /nfs/dbraw/zinc/65/15/60/565651560.db2.gz UDOUHSZPDPOWRJ-XJKSGUPXSA-N 1 0 382.917 2.582 20 0 GFADRO CC[C@@H]1CN(S(=O)(=O)c2cccc(Cl)c2Br)CC[C@@H]1[NH3+] ZINC000647269701 565651774 /nfs/dbraw/zinc/65/17/74/565651774.db2.gz YJKXMRUIXRGXNU-KOLCDFICSA-N 1 0 381.723 2.850 20 0 GFADRO Cc1noc([C@@H]2OCC[C@@H]2[NH2+]Cc2ccc(I)cc2)n1 ZINC000599016069 565653875 /nfs/dbraw/zinc/65/38/75/565653875.db2.gz JGJRLNJQKIZDSS-QWHCGFSZSA-N 1 0 385.205 2.602 20 0 GFADRO O=S(=O)(c1ccccc1Br)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647306655 565655632 /nfs/dbraw/zinc/65/56/32/565655632.db2.gz DAULQYWMFSPGSD-KBPBESRZSA-N 1 0 387.343 2.849 20 0 GFADRO C[N@H+](CCc1ccccc1)[C@@H]1CCN(Cc2ccc(S(C)(=O)=O)s2)C1 ZINC000668566185 565655740 /nfs/dbraw/zinc/65/57/40/565655740.db2.gz HVEQNAACTOEYCK-QGZVFWFLSA-N 1 0 378.563 2.900 20 0 GFADRO Cn1ncc(Br)c1CN1CC[C@@H]([N@H+](C)CCc2ccccc2)C1 ZINC000668566243 565655981 /nfs/dbraw/zinc/65/59/81/565655981.db2.gz JHHWTJMVERCJIC-MRXNPFEDSA-N 1 0 377.330 2.931 20 0 GFADRO C[C@@H]([NH2+]C[C@@H](O)COC1CCOCC1)c1cc(F)c(Br)cc1F ZINC000625750918 565657123 /nfs/dbraw/zinc/65/71/23/565657123.db2.gz DAZXAXGHIDERSF-GHMZBOCLSA-N 1 0 394.256 2.934 20 0 GFADRO COC(=O)CCNC(=O)CC[NH2+][C@@H]1C[C@H](C)c2c1cccc2Br ZINC000599088385 565657188 /nfs/dbraw/zinc/65/71/88/565657188.db2.gz JZLYFXPGANVMNS-SMDDNHRTSA-N 1 0 383.286 2.656 20 0 GFADRO O=S(=O)(c1cc(Br)ccc1F)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000647323419 565657738 /nfs/dbraw/zinc/65/77/38/565657738.db2.gz ICKXYPUCBMVRED-NEPJUHHUSA-N 1 0 391.306 2.598 20 0 GFADRO CC(=O)Nc1ccc(S(=O)(=O)CCC[N@@H+]2CC[C@H]3CC[C@@H](C2)S3)cc1 ZINC000625774658 565658220 /nfs/dbraw/zinc/65/82/20/565658220.db2.gz QZJXKNQQNWQYSH-SJORKVTESA-N 1 0 382.551 2.779 20 0 GFADRO C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CCCc1ncn(C)n1 ZINC000647325304 565658306 /nfs/dbraw/zinc/65/83/06/565658306.db2.gz BHJRWOJODWYFAG-LBPRGKRZSA-N 1 0 380.290 2.517 20 0 GFADRO C[NH+](C)CCn1nccc1NC(=O)CCc1ccc(Br)cc1F ZINC000647439469 565660637 /nfs/dbraw/zinc/66/06/37/565660637.db2.gz KSUPJCYVASXKQD-UHFFFAOYSA-N 1 0 383.265 2.918 20 0 GFADRO CCn1cc(CC[NH2+][C@]2(CO)CCc3cc(Br)ccc3C2)cn1 ZINC000625797327 565660744 /nfs/dbraw/zinc/66/07/44/565660744.db2.gz TWIAPYDQKKOPOT-GOSISDBHSA-N 1 0 378.314 2.718 20 0 GFADRO CC[NH+]1CCN(CCNC(=O)c2cc3c(ccc(Br)c3C)[nH]2)CC1 ZINC000668673884 565660815 /nfs/dbraw/zinc/66/08/15/565660815.db2.gz BKIHOHNUPPWPAY-UHFFFAOYSA-N 1 0 393.329 2.606 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)c(C)c1CN1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000647507571 565661445 /nfs/dbraw/zinc/66/14/45/565661445.db2.gz RXUNNHXNUGCVTL-XIKOKIGWSA-N 1 0 393.329 2.800 20 0 GFADRO C[C@@H](c1cccc(Br)c1)[NH+]1CCC(n2cc(C(N)=O)nn2)CC1 ZINC000625807426 565661632 /nfs/dbraw/zinc/66/16/32/565661632.db2.gz QLSDYWQMFIGUJA-NSHDSACASA-N 1 0 378.274 2.538 20 0 GFADRO CCOc1cc(C[NH2+]CC2(S(=O)(=O)CC)CC2)cc(Br)c1O ZINC000668694553 565662467 /nfs/dbraw/zinc/66/24/67/565662467.db2.gz CVQUGORZXSIMIO-UHFFFAOYSA-N 1 0 392.315 2.610 20 0 GFADRO OC[C@H](C[NH2+]C[C@@H](O)CC(F)(F)F)Cc1cc(Br)ccc1F ZINC000647536851 565663820 /nfs/dbraw/zinc/66/38/20/565663820.db2.gz OGRIZQFPOOCNCV-CABZTGNLSA-N 1 0 388.199 2.642 20 0 GFADRO CC(C)[C@H]1CN(Cc2ccc(Br)cc2N2CCOCC2)CC[NH2+]1 ZINC000647531771 565664237 /nfs/dbraw/zinc/66/42/37/565664237.db2.gz ZUFHBECLCJCROV-QGZVFWFLSA-N 1 0 382.346 2.716 20 0 GFADRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)Nc1ccnn1Cc1ccccc1Br ZINC000625880697 565664417 /nfs/dbraw/zinc/66/44/17/565664417.db2.gz JMHQVUCXCDNYMW-SMDDNHRTSA-N 1 0 378.274 2.566 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C(=O)N1CCC2(C[NH+](C)C2)C1 ZINC000647622455 565667558 /nfs/dbraw/zinc/66/75/58/565667558.db2.gz ISXLMYXJWDNRLD-UHFFFAOYSA-N 1 0 389.297 2.721 20 0 GFADRO C[NH+](C)[C@]1(CNC(=O)[C@H]2[C@@H]3c4cccc(Br)c4C[C@H]23)CCSC1 ZINC000625984889 565667827 /nfs/dbraw/zinc/66/78/27/565667827.db2.gz TUNBVWDLEUFXRN-ZDRJDWQYSA-N 1 0 395.366 2.888 20 0 GFADRO C[C@@H]1C[N@@H+](CCCCNC(=O)c2cc(O)cc(Br)c2)C[C@H](C)O1 ZINC000626023253 565670589 /nfs/dbraw/zinc/67/05/89/565670589.db2.gz BUTDRSJULPTNKC-BETUJISGSA-N 1 0 385.302 2.774 20 0 GFADRO C[C@@H]1C[C@H](c2ccc(Br)cc2)C[N@@H+]1CCC(=O)N1CCOCC1 ZINC000626040107 565672486 /nfs/dbraw/zinc/67/24/86/565672486.db2.gz XHJLWEQAAXVVMR-ZBFHGGJFSA-N 1 0 381.314 2.876 20 0 GFADRO CCO[C@H](CC[NH+](C)C)CNC(=O)c1cc(C)cc(Br)c1F ZINC000626040449 565672783 /nfs/dbraw/zinc/67/27/83/565672783.db2.gz FPKDGQKZMSCZPQ-GFCCVEGCSA-N 1 0 375.282 2.983 20 0 GFADRO CCC1([NH+]2CCOCC2)CCN(Cc2cc(OC)ncc2Br)CC1 ZINC000626089665 565675111 /nfs/dbraw/zinc/67/51/11/565675111.db2.gz ZSCPIERCWSKLNP-UHFFFAOYSA-N 1 0 398.345 2.930 20 0 GFADRO CS(=O)(=O)N1CCC[C@H](C[NH2+][C@@H](CCO)c2cc(Cl)cc(Cl)c2)C1 ZINC000626100844 565675386 /nfs/dbraw/zinc/67/53/86/565675386.db2.gz ADEAMTVWVTUDSR-WBMJQRKESA-N 1 0 395.352 2.678 20 0 GFADRO CS(=O)(=O)N1CCC[C@@H](C[NH2+][C@H](CCO)c2cc(Cl)cc(Cl)c2)C1 ZINC000626100841 565675596 /nfs/dbraw/zinc/67/55/96/565675596.db2.gz ADEAMTVWVTUDSR-BLLLJJGKSA-N 1 0 395.352 2.678 20 0 GFADRO CC[C@H](C(=O)N1CC[C@@H](Oc2cncc(Br)c2)C1)[NH+](CC)CC ZINC000647792753 565677037 /nfs/dbraw/zinc/67/70/37/565677037.db2.gz WEMJLZLUHRTROL-GDBMZVCRSA-N 1 0 384.318 2.944 20 0 GFADRO Cc1noc([C@@H]2OCC[C@@H]2[NH2+]C[C@@H](O)COc2c(Cl)cccc2Cl)n1 ZINC000626146233 565677944 /nfs/dbraw/zinc/67/79/44/565677944.db2.gz SORAIGMIYQMNGK-RIEGTJTDSA-N 1 0 388.251 2.544 20 0 GFADRO Cc1ccc(CC(=O)N2CCOC[C@H]2[C@@H]2CCC[N@H+]2C)cc1Br ZINC000647822155 565678403 /nfs/dbraw/zinc/67/84/03/565678403.db2.gz QXUNZIULAFNORL-IRXDYDNUSA-N 1 0 381.314 2.622 20 0 GFADRO C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)c1cc(=O)[nH]c2c(Br)cccc12 ZINC000647832080 565680155 /nfs/dbraw/zinc/68/01/55/565680155.db2.gz UNFFBYMZSFACSF-IINYFYTJSA-N 1 0 378.270 2.868 20 0 GFADRO O=C(NCC[N@H+]1CC[C@@H](O)C1)Nc1ncc(Cc2cccc(Cl)c2)s1 ZINC000626229008 565684690 /nfs/dbraw/zinc/68/46/90/565684690.db2.gz UBMAKUNOLAXLAJ-CQSZACIVSA-N 1 0 380.901 2.575 20 0 GFADRO CC[C@H]1CN(CC(=O)Nc2c(F)cc(F)cc2Br)CC[C@H]1[NH3+] ZINC000647938554 565685226 /nfs/dbraw/zinc/68/52/26/565685226.db2.gz PTFJSCWHDSFPRV-TVQRCGJNSA-N 1 0 376.245 2.725 20 0 GFADRO Cc1nn(C)c(NC(=O)N(CC[NH+](C)C)Cc2ccco2)c1Br ZINC000647984138 565686047 /nfs/dbraw/zinc/68/60/47/565686047.db2.gz KUCCMRCQZISMBT-UHFFFAOYSA-N 1 0 384.278 2.680 20 0 GFADRO NC(=O)[C@H](c1cccc(Br)c1)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647978393 565686410 /nfs/dbraw/zinc/68/64/10/565686410.db2.gz RIMHFUHOHXYGBZ-UXLLHSPISA-N 1 0 380.330 2.687 20 0 GFADRO O=C(NCC[N@H+]1CC[C@@H](O)C1)Nc1ccc(Br)cc1C(F)(F)F ZINC000626308217 565687589 /nfs/dbraw/zinc/68/75/89/565687589.db2.gz LVPCNSZIDJAYPQ-SNVBAGLBSA-N 1 0 396.207 2.656 20 0 GFADRO O=C(NCC[N@H+]1CC[C@@H](O)C1)Nc1cccc(Cl)c1SCC(F)F ZINC000626394028 565689926 /nfs/dbraw/zinc/68/99/26/565689926.db2.gz QMZHUBQWDXVDFR-SNVBAGLBSA-N 1 0 379.860 2.885 20 0 GFADRO COC(=O)CC1(C[NH2+][C@@]2(CO)CCc3cc(Br)ccc3C2)CC1 ZINC000599573771 565690702 /nfs/dbraw/zinc/69/07/02/565690702.db2.gz XFZGUCSAKSTIMA-SFHVURJKSA-N 1 0 382.298 2.602 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)C2(c3ccc(Br)cc3)CCCCC2)CCO1 ZINC000648110636 565690850 /nfs/dbraw/zinc/69/08/50/565690850.db2.gz ZQIDOLAXTKZMOS-INIZCTEOSA-N 1 0 381.314 2.837 20 0 GFADRO [NH3+]CC[C@H](NC(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1)C(F)F ZINC000648145896 565692031 /nfs/dbraw/zinc/69/20/31/565692031.db2.gz WLLNNJAVEQDGSV-ZDUSSCGKSA-N 1 0 394.871 2.525 20 0 GFADRO Cn1nc2cc(Br)ccc2c1C(=O)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000648176785 565692193 /nfs/dbraw/zinc/69/21/93/565692193.db2.gz MWFQMZXGJXENEK-MLGOLLRUSA-N 1 0 391.313 2.940 20 0 GFADRO CO[C@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000669551721 565692322 /nfs/dbraw/zinc/69/23/22/565692322.db2.gz GKDHSVVSJCXJPS-SKDZVZGDSA-N 1 0 396.329 2.920 20 0 GFADRO COC(=O)c1cc(NC(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)cc(Br)c1F ZINC000599606539 565692552 /nfs/dbraw/zinc/69/25/52/565692552.db2.gz NIEMCNBPDUFTFF-BDAKNGLRSA-N 1 0 388.237 2.637 20 0 GFADRO CCOC(=O)c1c(NC(=O)N[C@H]2CC[C@H](C)[NH2+]C2)sc2c1CCSC2 ZINC000599603904 565692965 /nfs/dbraw/zinc/69/29/65/565692965.db2.gz XCHAMTFPNIRCAD-QWRGUYRKSA-N 1 0 383.539 2.976 20 0 GFADRO O=C(C[C@@H]1Sc2ccc(Cl)cc2NC1=O)N[C@@H]1CC[NH2+]C12CCCC2 ZINC000648207992 565693071 /nfs/dbraw/zinc/69/30/71/565693071.db2.gz SMFBDXDCNVDHBH-LSDHHAIUSA-N 1 0 379.913 2.934 20 0 GFADRO CC[C@@H]1CN(C(=O)N[C@@H]2CCN(c3cccc(Br)c3)C2)CC[C@@H]1[NH3+] ZINC000669571965 565693135 /nfs/dbraw/zinc/69/31/35/565693135.db2.gz DRVXDEXPOXSQEW-UNEWFSDZSA-N 1 0 395.345 2.797 20 0 GFADRO O=C(N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000669574163 565693325 /nfs/dbraw/zinc/69/33/25/565693325.db2.gz ZPDARLSKACLOAT-GDJRKYJOSA-N 1 0 382.277 2.838 20 0 GFADRO COc1cc(Br)ccc1CNC(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000669565637 565693454 /nfs/dbraw/zinc/69/34/54/565693454.db2.gz MEEYGDBGRDMWFS-OSAQELSMSA-N 1 0 382.302 2.645 20 0 GFADRO O=C(N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000669569011 565693548 /nfs/dbraw/zinc/69/35/48/565693548.db2.gz RRSPQSBBCFMCOI-BJJXKVORSA-N 1 0 383.323 2.966 20 0 GFADRO Cc1cc(Br)cc(C)c1N1CCC[C@H](NC(=O)NCC2C[NH2+]C2)C1 ZINC000669584735 565694272 /nfs/dbraw/zinc/69/42/72/565694272.db2.gz RUAWHUCVMVTMFS-INIZCTEOSA-N 1 0 395.345 2.553 20 0 GFADRO Cc1cc(Br)cc(C)c1N1CCC[C@@H](NC(=O)NC[C@@H](C)[NH3+])C1 ZINC000669584717 565694763 /nfs/dbraw/zinc/69/47/63/565694763.db2.gz IBSCIDIPPVIZHF-UKRRQHHQSA-N 1 0 383.334 2.681 20 0 GFADRO C[C@H]1C[C@H](N(C)C(=O)c2c3ccc(Br)cc3nn2C)CC[N@@H+]1C ZINC000648299717 565701412 /nfs/dbraw/zinc/70/14/12/565701412.db2.gz YLSVGYHAJFEPQZ-WCQYABFASA-N 1 0 379.302 2.891 20 0 GFADRO C[NH+](C)C[C@]1(O)CCCN(C(=O)c2ccc(OC(F)(F)F)c(Cl)c2)C1 ZINC000626679416 565708291 /nfs/dbraw/zinc/70/82/91/565708291.db2.gz SBDOBVBVFHIFOL-OAHLLOKOSA-N 1 0 380.794 2.767 20 0 GFADRO Cc1cc(I)cc(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)c1C ZINC000600001159 565710067 /nfs/dbraw/zinc/71/00/67/565710067.db2.gz ZNRJSGGPFREJPS-FICVDOATSA-N 1 0 384.261 2.540 20 0 GFADRO Cc1cc(C)c(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)cc1I ZINC000599991230 565710215 /nfs/dbraw/zinc/71/02/15/565710215.db2.gz FQMRLPVHNQOODS-NHAGDIPZSA-N 1 0 384.261 2.540 20 0 GFADRO Cn1nc2cc(Br)ccc2c1C(=O)NCCCC[N@H+](C)C1CC1 ZINC000648414549 565712103 /nfs/dbraw/zinc/71/21/03/565712103.db2.gz CRVGPRHQTUPGGU-UHFFFAOYSA-N 1 0 379.302 2.940 20 0 GFADRO O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000626848727 565712883 /nfs/dbraw/zinc/71/28/83/565712883.db2.gz HLNZKMJJHISITF-GFCCVEGCSA-N 1 0 375.778 2.698 20 0 GFADRO Cc1cc(NC(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)ccc1Cl ZINC000626860133 565713235 /nfs/dbraw/zinc/71/32/35/565713235.db2.gz QGKUSTYISLRXDH-CMPLNLGQSA-N 1 0 377.794 2.573 20 0 GFADRO CC(C)(C[NH2+]Cc1cnc(-c2c(F)cccc2F)s1)NS(C)(=O)=O ZINC000648445558 565714030 /nfs/dbraw/zinc/71/40/30/565714030.db2.gz ZKZUTXOWYQRXHF-UHFFFAOYSA-N 1 0 375.466 2.506 20 0 GFADRO CN(CC[NH2+]Cc1cc2cc(Cl)cnc2o1)S(=O)(=O)c1cccs1 ZINC000648484850 565716409 /nfs/dbraw/zinc/71/64/09/565716409.db2.gz NNIDXNNSRROINH-UHFFFAOYSA-N 1 0 385.898 2.953 20 0 GFADRO C[C@H](CNC(=O)N[C@@H]1CC[NH2+]C12CCC2)Oc1ccc(Br)cc1 ZINC000626989819 565718024 /nfs/dbraw/zinc/71/80/24/565718024.db2.gz KWJSPKCYXJQCMB-IUODEOHRSA-N 1 0 382.302 2.800 20 0 GFADRO COC(=O)CN1CCC([NH2+][C@@H](CCO)c2cc(Cl)cc(Cl)c2)CC1 ZINC000600215626 565718724 /nfs/dbraw/zinc/71/87/24/565718724.db2.gz PVSJILSXFHQQEF-INIZCTEOSA-N 1 0 375.296 2.644 20 0 GFADRO CC[C@H](COCC(F)(F)F)NC(=O)N1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000627048299 565721013 /nfs/dbraw/zinc/72/10/13/565721013.db2.gz XMZFCSSJPORLKU-MXWKQRLJSA-N 1 0 379.345 2.513 20 0 GFADRO C[NH+](C)C1CC(NC(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)C1 ZINC000670402013 565721435 /nfs/dbraw/zinc/72/14/35/565721435.db2.gz HUDSAMZACRBTCN-GPANFISMSA-N 1 0 384.307 2.807 20 0 GFADRO Cc1cc(Br)ccc1[C@@H]1CCCN1C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000627101440 565721721 /nfs/dbraw/zinc/72/17/21/565721721.db2.gz BGTNQBZPXCBXCL-RDJZCZTQSA-N 1 0 396.329 2.983 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)NCC/C=C/c2ccc(Br)cc2)CCCO1 ZINC000627122960 565722354 /nfs/dbraw/zinc/72/23/54/565722354.db2.gz MRIXOPOLTLSYOZ-SIEGMDDESA-N 1 0 382.302 2.612 20 0 GFADRO C[N@@H+]1CCCC[C@H](CNC(=O)c2cccc(F)c2I)C1 ZINC000600314747 565723676 /nfs/dbraw/zinc/72/36/76/565723676.db2.gz PFAGOIUSBJZOTE-LLVKDONJSA-N 1 0 390.240 2.892 20 0 GFADRO C[C@@H]1[C@H](C(=O)NC[C@H]2CCN(c3ccc(Br)cc3)C2)CC[N@@H+]1C ZINC000648743226 565725743 /nfs/dbraw/zinc/72/57/43/565725743.db2.gz RTUDSWDGOZPUNY-CKEIUWERSA-N 1 0 380.330 2.732 20 0 GFADRO C[C@H]1C[C@@H](N(C)C(=O)C(=O)NCCc2ccc(Cl)cc2Cl)CC[N@@H+]1C ZINC000670495746 565725821 /nfs/dbraw/zinc/72/58/21/565725821.db2.gz RSZQFTXBTCIYGE-WFASDCNBSA-N 1 0 386.323 2.593 20 0 GFADRO C[C@@H]1[C@H](C(=O)NC[C@@H]2CCN(c3cccc(Br)c3)C2)CC[N@@H+]1C ZINC000648749627 565725933 /nfs/dbraw/zinc/72/59/33/565725933.db2.gz LZFLJXOGFJQYDE-JKIFEVAISA-N 1 0 380.330 2.732 20 0 GFADRO C[C@@H]1[C@H](C(=O)NC[C@H]2CCN(c3cccc(Br)c3)C2)CC[N@@H+]1C ZINC000648749626 565726432 /nfs/dbraw/zinc/72/64/32/565726432.db2.gz LZFLJXOGFJQYDE-CKEIUWERSA-N 1 0 380.330 2.732 20 0 GFADRO COc1cc(Br)c(Cl)cc1C(=O)NCCN1CCOC[C@H]1C ZINC000648769072 565726708 /nfs/dbraw/zinc/72/67/08/565726708.db2.gz GBQMGAQUXVTUKO-SNVBAGLBSA-N 1 0 391.693 2.562 20 0 GFADRO CCc1nn(C)cc1C[NH2+]C[C@H](CO)Cc1cccc(Br)c1C ZINC000648815206 565732209 /nfs/dbraw/zinc/73/22/09/565732209.db2.gz GEQMDXWLWDHBOS-CQSZACIVSA-N 1 0 380.330 2.994 20 0 GFADRO CN(C(=O)c1ccsc1Br)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000648934478 565740758 /nfs/dbraw/zinc/74/07/58/565740758.db2.gz FVDXCQVMFVTDPX-CYBMUJFWSA-N 1 0 386.359 2.751 20 0 GFADRO CCN(C(=O)c1cnc2ccc(Br)cc2c1O)C1CC[NH+](C)CC1 ZINC000627618379 565744165 /nfs/dbraw/zinc/74/41/65/565744165.db2.gz QOKYVOBGKZQGNC-UHFFFAOYSA-N 1 0 392.297 2.847 20 0 GFADRO O=C(Cc1ccccc1Br)N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000627739591 565749509 /nfs/dbraw/zinc/74/95/09/565749509.db2.gz IYFXOYDYSBGEOV-UHFFFAOYSA-N 1 0 381.314 2.705 20 0 GFADRO COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)NC[C@@H]1CCCC[N@H+](C)C1 ZINC000627827175 565755159 /nfs/dbraw/zinc/75/51/59/565755159.db2.gz RTLXJVAZIONNFB-NSHDSACASA-N 1 0 388.295 2.789 20 0 GFADRO C[C@@H](CNC(=O)N1CCN(c2cccc(Br)c2)CC1)[N@H+](C)C1CC1 ZINC000671207499 565757104 /nfs/dbraw/zinc/75/71/04/565757104.db2.gz TWKPCIUPUQMBQF-AWEZNQCLSA-N 1 0 395.345 2.763 20 0 GFADRO C[N@@H+]1CCC[C@H](N2CCN(Cc3cc(Br)cc(F)c3F)CC2)C1 ZINC000649560370 565767085 /nfs/dbraw/zinc/76/70/85/565767085.db2.gz KHKNFNDTQWBFJT-HNNXBMFYSA-N 1 0 388.300 2.939 20 0 GFADRO O=C(CCOc1cccc(Br)c1)N1CCC([NH+]2CCOCC2)CC1 ZINC000628128595 565776342 /nfs/dbraw/zinc/77/63/42/565776342.db2.gz MVUCIZMNXJCYQW-UHFFFAOYSA-N 1 0 397.313 2.541 20 0 GFADRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1cc2c(cc1Br)OCCCO2 ZINC000671627977 565776939 /nfs/dbraw/zinc/77/69/39/565776939.db2.gz XEWCHRCPBAXOCM-OCCSQVGLSA-N 1 0 383.286 2.615 20 0 GFADRO Cc1cc(Br)cc(C)c1N1CCC[C@H](N2C[C@@H]3C[NH2+]C[C@H]3C2)C1=O ZINC000671678015 565779780 /nfs/dbraw/zinc/77/97/80/565779780.db2.gz AKIUIVZFEBGDGH-ZOBUZTSGSA-N 1 0 392.341 2.713 20 0 GFADRO CC[C@@H]([NH2+]Cc1cc(Cl)cc(Cl)c1OCCN1CCOCC1)[C@@H](C)O ZINC000628299375 565783514 /nfs/dbraw/zinc/78/35/14/565783514.db2.gz NGYXXABVAROQCB-CXAGYDPISA-N 1 0 391.339 2.953 20 0 GFADRO CC[NH+](CC)CCOCCNC(=O)c1cc(Br)c(C)cc1OC ZINC000671795459 565786075 /nfs/dbraw/zinc/78/60/75/565786075.db2.gz OICJHSSXDBERFI-UHFFFAOYSA-N 1 0 387.318 2.854 20 0 GFADRO CC(C)[C@@H]1CN(C(=O)CSc2nncs2)CC[N@@H+]1Cc1ccccc1 ZINC000628612262 565796133 /nfs/dbraw/zinc/79/61/33/565796133.db2.gz YNUPMHALHPVFAJ-INIZCTEOSA-N 1 0 376.551 2.999 20 0 GFADRO CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N(C)Cc1c(Cl)cccc1Cl ZINC000672204106 565798895 /nfs/dbraw/zinc/79/88/95/565798895.db2.gz PGXZPNJTUUJIIO-ZDUSSCGKSA-N 1 0 386.323 2.942 20 0 GFADRO COc1cc(Br)c(C(=O)NC[C@@H]2CCCC[N@H+](C)C2)cc1OC ZINC000628750038 565805830 /nfs/dbraw/zinc/80/58/30/565805830.db2.gz KHFRXRMIWKJJCM-LBPRGKRZSA-N 1 0 385.302 2.928 20 0 GFADRO C[N@@H+]1CCCC[C@@H](CNC(=O)C2(c3cccc(Br)c3)CC(=O)C2)C1 ZINC000628755770 565806382 /nfs/dbraw/zinc/80/63/82/565806382.db2.gz XPNGZQZNJZKIBS-AWEZNQCLSA-N 1 0 393.325 2.898 20 0 GFADRO CC1(C)C[NH2+]CC[C@@H](NC(=O)c2cc(F)ccc2I)C1 ZINC000601971039 565810381 /nfs/dbraw/zinc/81/03/81/565810381.db2.gz AFCGIOTWCPFTMA-LLVKDONJSA-N 1 0 390.240 2.938 20 0 GFADRO C[N@H+](CC(=O)NCc1ccc(Br)c(F)c1F)[C@@H]1CCSC1 ZINC000628894027 565813998 /nfs/dbraw/zinc/81/39/98/565813998.db2.gz VSIAGTSLPCVCIQ-SNVBAGLBSA-N 1 0 379.270 2.781 20 0 GFADRO O=C(Nc1ccc(SCC[NH+]2CCCC2)cc1)N1CCSC[C@@H]1CO ZINC000650416149 565819159 /nfs/dbraw/zinc/81/91/59/565819159.db2.gz VKMRJMDSPXYFGD-INIZCTEOSA-N 1 0 381.567 2.816 20 0 GFADRO O=C(N[C@H]1CCN(c2ccccn2)C1)c1cnc2ncc(Br)cc2c1 ZINC000672906345 565821943 /nfs/dbraw/zinc/82/19/43/565821943.db2.gz FJXRDXMESZWVOH-HNNXBMFYSA-N 1 0 398.264 2.796 20 0 GFADRO Cc1ccc(-c2csc(NC(=O)C(=O)N(C)CCCC[NH+](C)C)n2)s1 ZINC000672970779 565824217 /nfs/dbraw/zinc/82/42/17/565824217.db2.gz MDXMWJMHXQGHOV-UHFFFAOYSA-N 1 0 380.539 2.919 20 0 GFADRO CCOC(=O)C[C@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)c1cccc(Br)c1 ZINC000602131669 565824602 /nfs/dbraw/zinc/82/46/02/565824602.db2.gz TZTQEQKCTQLOCV-BBRMVZONSA-N 1 0 397.313 2.901 20 0 GFADRO O=C(N[C@H]1C[C@@H]([NH+]2CCCC2)C1)c1ccc(I)c(F)c1 ZINC000602168656 565827776 /nfs/dbraw/zinc/82/77/76/565827776.db2.gz ZTBXDGXKJSYXJK-TXEJJXNPSA-N 1 0 388.224 2.787 20 0 GFADRO O=C(CCCc1cccc(Br)c1)NC[C@@H]1CCCC[N@H+]1CCO ZINC000650595018 565828149 /nfs/dbraw/zinc/82/81/49/565828149.db2.gz PJYIESQCSIEOLH-KRWDZBQOSA-N 1 0 383.330 2.735 20 0 GFADRO O=C(Nc1ccc(SCC[NH+]2CCCC2)cc1)[C@H]1CCCCS1(=O)=O ZINC000650679860 565830518 /nfs/dbraw/zinc/83/05/18/565830518.db2.gz BTSQPQHSSYCTJR-QGZVFWFLSA-N 1 0 382.551 2.780 20 0 GFADRO CC[C@@H](Cc1ccccc1Br)C(=O)N[C@H](CO)C[NH+]1CCCC1 ZINC000673530445 565839071 /nfs/dbraw/zinc/83/90/71/565839071.db2.gz HYUSXQFCCURPDR-HOCLYGCPSA-N 1 0 383.330 2.591 20 0 GFADRO Cc1cc2cc(C(=O)N3CC[C@@H]([N@@H+]4CC[C@@H](O)C4)C3)oc2c(Br)c1 ZINC000673516866 565839091 /nfs/dbraw/zinc/83/90/91/565839091.db2.gz SQXKCPXGSFWPIQ-ZIAGYGMSSA-N 1 0 393.281 2.785 20 0 GFADRO C[C@H](Cc1ccc(F)cc1Br)[NH2+]CCCN1CCCS1(=O)=O ZINC000673601500 565842870 /nfs/dbraw/zinc/84/28/70/565842870.db2.gz RYWFYQDYVNJMLY-GFCCVEGCSA-N 1 0 393.322 2.534 20 0 GFADRO Cc1cc(C[NH2+][C@@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)ccc1Br ZINC000673629927 565844117 /nfs/dbraw/zinc/84/41/17/565844117.db2.gz XNZDHYNSZPFPJG-MLGOLLRUSA-N 1 0 377.286 2.775 20 0 GFADRO CSc1ccc(-c2csc(NC(=O)C3([S@](C)=O)CC[NH2+]CC3)n2)cc1 ZINC000602437123 565847508 /nfs/dbraw/zinc/84/75/08/565847508.db2.gz UQOLNPYORKQPFM-VWLOTQADSA-N 1 0 395.575 2.971 20 0 GFADRO Cc1sc(NC(=O)C2([S@](C)=O)CC[NH2+]CC2)nc1-c1ccc(C)cc1 ZINC000602429046 565847587 /nfs/dbraw/zinc/84/75/87/565847587.db2.gz BZYFKJXPRMHDOV-VWLOTQADSA-N 1 0 377.535 2.866 20 0 GFADRO CCC1([NH+]2CCOCC2)CCN(C(=O)c2cncc(Br)c2)CC1 ZINC000629419834 565851081 /nfs/dbraw/zinc/85/10/81/565851081.db2.gz HCRDTULNWKAYDG-UHFFFAOYSA-N 1 0 382.302 2.561 20 0 GFADRO C[NH+](C)CCOc1cccc(CNC(=O)c2nscc2Br)c1 ZINC000651239083 565851845 /nfs/dbraw/zinc/85/18/45/565851845.db2.gz ULWMQGVQEIJAPD-UHFFFAOYSA-N 1 0 384.299 2.776 20 0 GFADRO COCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCOc3ccc(Br)cc32)C1 ZINC000651273694 565853349 /nfs/dbraw/zinc/85/33/49/565853349.db2.gz VSPGQFBKZRMSTK-HUUCEWRRSA-N 1 0 397.313 2.542 20 0 GFADRO COC1CC[NH+](C(C)(C)CNC(=O)c2nscc2Br)CC1 ZINC000651290155 565854190 /nfs/dbraw/zinc/85/41/90/565854190.db2.gz LKDJLOQXEZATCQ-UHFFFAOYSA-N 1 0 376.320 2.525 20 0 GFADRO [NH3+]C[C@@H]1CN([C@H]2CCN(c3cccc(Cl)c3)C2=O)CC[C@H]1C(F)(F)F ZINC000629563118 565859286 /nfs/dbraw/zinc/85/92/86/565859286.db2.gz QAUNCOIPRYHGST-DFBGVHRSSA-N 1 0 375.822 2.904 20 0 GFADRO CC(C)(C)[C@@H](O)C[C@H](CO)[NH2+]Cc1ccc(I)s1 ZINC000602653154 565860765 /nfs/dbraw/zinc/86/07/65/565860765.db2.gz MYRNHURVNWPQMN-KOLCDFICSA-N 1 0 383.295 2.600 20 0 GFADRO Cn1nc(C(=O)OC(C)(C)C)cc1C[NH2+]CCCn1cc(Br)cn1 ZINC000602664260 565861032 /nfs/dbraw/zinc/86/10/32/565861032.db2.gz YJIPMUJSSSZESP-UHFFFAOYSA-N 1 0 398.305 2.514 20 0 GFADRO CCOC(=O)c1ccc(C[NH2+][C@](C)(CO)c2ccc(Br)cc2)[nH]1 ZINC000602662528 565861206 /nfs/dbraw/zinc/86/12/06/565861206.db2.gz OYUCTAGHCVDGAG-QGZVFWFLSA-N 1 0 381.270 2.951 20 0 GFADRO CC[NH+]1CCN(CCC(=O)N[C@H](CCO)c2cc(Cl)cc(Cl)c2)CC1 ZINC000629594829 565861612 /nfs/dbraw/zinc/86/16/12/565861612.db2.gz AGOWYQDSPTZFSC-QGZVFWFLSA-N 1 0 388.339 2.561 20 0 GFADRO O=S(=O)(CC[NH2+]CC[C@@H]1CCCOC1)c1cccc(Br)c1 ZINC000629589284 565862093 /nfs/dbraw/zinc/86/20/93/565862093.db2.gz SZWOWLOUDMIEHO-ZDUSSCGKSA-N 1 0 376.316 2.629 20 0 GFADRO O[C@H](C[NH2+][C@H]1CO[C@H](C2CC2)C1)COc1ccc(Cl)cc1Br ZINC000629606288 565863889 /nfs/dbraw/zinc/86/38/89/565863889.db2.gz BVWDEGRHEXQGRM-IOASZLSFSA-N 1 0 390.705 2.999 20 0 GFADRO CC(C)(C[NH2+]C[C@H](O)COc1ccc(Cl)cc1Cl)C(=O)N1CCCC1 ZINC000629604056 565864193 /nfs/dbraw/zinc/86/41/93/565864193.db2.gz WYSYIQUINSMEHO-AWEZNQCLSA-N 1 0 389.323 2.971 20 0 GFADRO COC(=O)[C@@H]1OCC[C@@H]1[NH2+][C@H]1CCN(C)[C@@H](c2ccc(Br)cc2)C1 ZINC000602709878 565864924 /nfs/dbraw/zinc/86/49/24/565864924.db2.gz JIVGNXKNXBRTRM-MWDXBVQZSA-N 1 0 397.313 2.505 20 0 GFADRO COC(=O)[C@@H]1C[N@H+](Cc2ccncc2Br)C[C@H]1c1ccc(O)cc1 ZINC000602728222 565865048 /nfs/dbraw/zinc/86/50/48/565865048.db2.gz ZVCXDXKKJGIZCI-JKSUJKDBSA-N 1 0 391.265 2.938 20 0 GFADRO COCCOCC[NH+]1CCN(c2ccnc3c(Br)cccc23)CC1 ZINC000651487073 565865759 /nfs/dbraw/zinc/86/57/59/565865759.db2.gz QNPMDPHDKXRKCV-UHFFFAOYSA-N 1 0 394.313 2.782 20 0 GFADRO COC1CC[NH+](CCNC(=O)NCc2ccc(Br)cc2C)CC1 ZINC000674326599 565868746 /nfs/dbraw/zinc/86/87/46/565868746.db2.gz DARSNVODPWZTSI-UHFFFAOYSA-N 1 0 384.318 2.668 20 0 GFADRO C[NH+](C)C1(CNC(=O)Nc2cc(F)c(F)cc2I)CC1 ZINC000602874873 565871724 /nfs/dbraw/zinc/87/17/24/565871724.db2.gz VBIMJKGFLCGCTJ-UHFFFAOYSA-N 1 0 395.191 2.785 20 0 GFADRO Cc1n[nH]cc1CN(C)CC(=O)Nc1ccc(I)cc1C ZINC000602941382 565875820 /nfs/dbraw/zinc/87/58/20/565875820.db2.gz JTOAIVHHMDSLHC-UHFFFAOYSA-N 1 0 398.248 2.702 20 0 GFADRO C[NH2+]C1(CNC(=O)[C@H](c2ccc(Cl)cc2Cl)N2CCOCC2)CCC1 ZINC000630000205 565879094 /nfs/dbraw/zinc/87/90/94/565879094.db2.gz GZXRSRZILFERSU-INIZCTEOSA-N 1 0 386.323 2.625 20 0 GFADRO C[NH2+]C1(CNC(=O)CCC(=O)c2cc(Br)ccc2OC)CCC1 ZINC000629998281 565879209 /nfs/dbraw/zinc/87/92/09/565879209.db2.gz UTWVPMFNDIGFFF-UHFFFAOYSA-N 1 0 383.286 2.679 20 0 GFADRO COCC1(CS(=O)(=O)NC[C@H](C[NH+](C)C)c2ccc(Cl)cc2)CCC1 ZINC000651764557 565890760 /nfs/dbraw/zinc/89/07/60/565890760.db2.gz FFNHHJASNDENHJ-MRXNPFEDSA-N 1 0 388.961 2.721 20 0 GFADRO CO[C@H](CS(=O)(=O)NC[C@@H](C[NH+](C)C)c1ccc(Cl)cc1)C(C)C ZINC000651764846 565890953 /nfs/dbraw/zinc/89/09/53/565890953.db2.gz QKSLTVDSABZUGC-DOTOQJQBSA-N 1 0 376.950 2.576 20 0 GFADRO C[NH+]1CCN(C(C)(C)CNC(=O)Nc2cc(F)ccc2Br)CC1 ZINC000675143103 565893550 /nfs/dbraw/zinc/89/35/50/565893550.db2.gz PMODULWPDMHVJM-UHFFFAOYSA-N 1 0 387.297 2.736 20 0 GFADRO Cc1cccc(NC(=O)C(=O)NCCC[N@@H+](C)CC(C)C)c1Br ZINC000651900793 565902761 /nfs/dbraw/zinc/90/27/61/565902761.db2.gz JMAJKWJHIBNSEA-UHFFFAOYSA-N 1 0 384.318 2.790 20 0 GFADRO O=C(CCCc1cccc(Br)c1)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000675457295 565903550 /nfs/dbraw/zinc/90/35/50/565903550.db2.gz IYLWFSBDNOKJQA-MSOLQXFVSA-N 1 0 395.341 2.829 20 0 GFADRO C[NH+](C)C1(CNC(=O)CCCc2cccc(Br)c2)CCOCC1 ZINC000675466085 565904421 /nfs/dbraw/zinc/90/44/21/565904421.db2.gz YXYGZCBALVGCQR-UHFFFAOYSA-N 1 0 383.330 2.999 20 0 GFADRO C[NH+](C)C[C@H]1CN(S(=O)(=O)c2ccc(F)c(Cl)c2)c2ccccc2O1 ZINC000675472694 565905034 /nfs/dbraw/zinc/90/50/34/565905034.db2.gz RCENSKUDASFDSD-LBPRGKRZSA-N 1 0 384.860 2.997 20 0 GFADRO C[NH+](C)Cc1ccccc1CNC(=O)COc1ccc(Br)cn1 ZINC000630554552 565909009 /nfs/dbraw/zinc/90/90/09/565909009.db2.gz QCGXSEXKHZVPHG-UHFFFAOYSA-N 1 0 378.270 2.601 20 0 GFADRO O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1c(F)cncc1Br ZINC000630592605 565910156 /nfs/dbraw/zinc/91/01/56/565910156.db2.gz UMNSODVXERTWTP-CYBMUJFWSA-N 1 0 378.245 2.988 20 0 GFADRO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CCOC[C@@H]1CCOC1 ZINC000675836717 565917336 /nfs/dbraw/zinc/91/73/36/565917336.db2.gz JEVJBUMBNMTNQV-ZIAGYGMSSA-N 1 0 385.302 2.809 20 0 GFADRO C[C@@H](COCC1CC1)[NH2+][C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000652287029 565921034 /nfs/dbraw/zinc/92/10/34/565921034.db2.gz LYWXIQSVEJOLSQ-QWRGUYRKSA-N 1 0 391.331 2.562 20 0 GFADRO Cc1ccc(NC(=O)C(=O)N(C)CC[NH+]2CCCCC2)cc1Br ZINC000652293910 565921826 /nfs/dbraw/zinc/92/18/26/565921826.db2.gz FFAQWZDQEINFBH-UHFFFAOYSA-N 1 0 382.302 2.640 20 0 GFADRO C[C@@H](NC(=O)N[C@H](CO)c1cccc(Br)c1)C1CC[NH+](C)CC1 ZINC000675995958 565922235 /nfs/dbraw/zinc/92/22/35/565922235.db2.gz WRNWRQQWTJYFIT-MLGOLLRUSA-N 1 0 384.318 2.512 20 0 GFADRO COc1cc(Br)cc(S(=O)(=O)N2CCC[C@H](C)[C@H]2CC[NH3+])c1 ZINC000652377954 565926494 /nfs/dbraw/zinc/92/64/94/565926494.db2.gz TUXANVQVALXZSM-XHDPSFHLSA-N 1 0 391.331 2.596 20 0 GFADRO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCCN2S(=O)(=O)c2ccc(Cl)c(F)c2)C1 ZINC000652383179 565927645 /nfs/dbraw/zinc/92/76/45/565927645.db2.gz DSECFIIOKSSBDL-XFBWCDHKSA-N 1 0 376.881 2.529 20 0 GFADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)COc3ccc(Cl)c(Cl)c3)CC2)C1 ZINC000604352723 565927930 /nfs/dbraw/zinc/92/79/30/565927930.db2.gz PUMFJLYWFWGURB-AWEZNQCLSA-N 1 0 386.323 2.611 20 0 GFADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)c1cccc2c(Br)cccc12 ZINC000630948143 565928110 /nfs/dbraw/zinc/92/81/10/565928110.db2.gz AEINPZQOYPRIHL-AWEZNQCLSA-N 1 0 390.325 2.968 20 0 GFADRO C[N@@H+]1CCC[C@@H](N2CCN(CCOc3ccc(Br)cc3)CC2)C1 ZINC000604389131 565928664 /nfs/dbraw/zinc/92/86/64/565928664.db2.gz FVFTZWPAOOIPOL-QGZVFWFLSA-N 1 0 382.346 2.540 20 0 GFADRO CN(C[C@@H]1CCC[N@H+](C)C1)S(=O)(=O)Cc1ccc(OC(F)(F)F)cc1 ZINC000604407886 565929195 /nfs/dbraw/zinc/92/91/95/565929195.db2.gz KSLJMBHLDTYBGZ-CQSZACIVSA-N 1 0 380.432 2.689 20 0 GFADRO C[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CCOc4ccc(Br)cc43)[C@@H]2C1 ZINC000652467061 565930844 /nfs/dbraw/zinc/93/08/44/565930844.db2.gz JAIRYHKLTSFIPS-DUVNUKRYSA-N 1 0 379.298 2.868 20 0 GFADRO C[NH+]1CCC(CCNC(=O)c2cc(F)ccc2I)CC1 ZINC000604562784 565932443 /nfs/dbraw/zinc/93/24/43/565932443.db2.gz ZLRLDPCHCXGGQT-UHFFFAOYSA-N 1 0 390.240 2.892 20 0 GFADRO Cc1cc(NC(=O)C(=O)NCCC2CC[NH2+]CC2)cc(C)c1Br ZINC000652643137 565937009 /nfs/dbraw/zinc/93/70/09/565937009.db2.gz ZZFKURQGTYGDIG-UHFFFAOYSA-N 1 0 382.302 2.510 20 0 GFADRO CS(=O)(=O)NC[C@@H]1CCCN(Cc2c(Cl)cccc2OC(F)F)C1 ZINC000676461255 565938654 /nfs/dbraw/zinc/93/86/54/565938654.db2.gz UFAJPWDEUFABQZ-NSHDSACASA-N 1 0 382.860 2.703 20 0 GFADRO O[C@H](COc1ccc(Br)cc1)C[N@@H+]1CCC[C@H](n2ccnc2)C1 ZINC000676477243 565939627 /nfs/dbraw/zinc/93/96/27/565939627.db2.gz FYBLGRPTEYNIFP-HOTGVXAUSA-N 1 0 380.286 2.722 20 0 GFADRO O[C@@H]1CCC[C@@H]1[NH+]1CCC(NCc2ncc(Br)cc2Cl)CC1 ZINC000631090649 565939642 /nfs/dbraw/zinc/93/96/42/565939642.db2.gz HPLIQCXZARTTBE-JKSUJKDBSA-N 1 0 388.737 2.965 20 0 GFADRO CN(Cc1ccccc1Br)C(=O)C[N@@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000676477196 565940065 /nfs/dbraw/zinc/94/00/65/565940065.db2.gz FJGNMHPLGMVXGS-MRXNPFEDSA-N 1 0 391.313 2.941 20 0 GFADRO CO[C@H](c1ccc(F)cc1)[C@H](C)[NH2+]Cc1ccc(Cl)c(S(N)(=O)=O)c1 ZINC000631106370 565941048 /nfs/dbraw/zinc/94/10/48/565941048.db2.gz SDFLJVWPGHOYHX-GTNSWQLSSA-N 1 0 386.876 2.992 20 0 GFADRO NS(=O)(=O)c1cc(C[NH2+]C[C@@H](CO)c2ccc(Cl)cc2)ccc1Cl ZINC000631136707 565944307 /nfs/dbraw/zinc/94/43/07/565944307.db2.gz OCSNDYPVJASMJR-ZDUSSCGKSA-N 1 0 389.304 2.507 20 0 GFADRO O[C@H]1CC[N@H+](Cc2ccc(CNCc3ccncc3Br)cc2)C1 ZINC000631172217 565945433 /nfs/dbraw/zinc/94/54/33/565945433.db2.gz JEYUNSNGLMIHGU-KRWDZBQOSA-N 1 0 376.298 2.701 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2Cc1cn2cc(Br)ccc2n1 ZINC000676716805 565946859 /nfs/dbraw/zinc/94/68/59/565946859.db2.gz YTGXEQLLMIXDBJ-BRWVUGGUSA-N 1 0 393.329 2.780 20 0 GFADRO O=C(N[C@H]1CC[N@@H+](C2CC2)C1)c1nn(-c2ccc(F)cc2)cc1Br ZINC000605123757 565947069 /nfs/dbraw/zinc/94/70/69/565947069.db2.gz VVUABLMYTQHFQL-LBPRGKRZSA-N 1 0 393.260 2.740 20 0 GFADRO C[C@H]1CC[N@H+](C)CCN1C(=O)c1nn(-c2ccc(F)cc2)cc1Br ZINC000605128440 565947090 /nfs/dbraw/zinc/94/70/90/565947090.db2.gz CCBXTSYLTKNTOZ-LBPRGKRZSA-N 1 0 395.276 2.940 20 0 GFADRO C[C@@H]1CC[N@H+](CCNS(=O)(=O)c2ccc(Br)c(Cl)c2)C1 ZINC000676890806 565953314 /nfs/dbraw/zinc/95/33/14/565953314.db2.gz BTEUBERHZMSUEE-SNVBAGLBSA-N 1 0 381.723 2.723 20 0 GFADRO CN(C(=O)[C@@H](N)CC[NH+](C)C)[C@@H]1CCSc2ccc(Br)cc21 ZINC000653086674 565954066 /nfs/dbraw/zinc/95/40/66/565954066.db2.gz ZFDUBZZZNTVQCL-UONOGXRCSA-N 1 0 386.359 2.723 20 0 GFADRO Brc1ccc2nc(C[N@@H+]3CCC[C@H](Cn4ccnn4)C3)cn2c1 ZINC000676901479 565954796 /nfs/dbraw/zinc/95/47/96/565954796.db2.gz ZRJUHBRXVIEGFL-ZDUSSCGKSA-N 1 0 375.274 2.601 20 0 GFADRO C[NH+](C)CC[C@@H](N)C(=O)N1CCC(OCc2ccc(Cl)c(Cl)c2)CC1 ZINC000653098615 565954972 /nfs/dbraw/zinc/95/49/72/565954972.db2.gz SKOVAUXCKXIFCC-QGZVFWFLSA-N 1 0 388.339 2.780 20 0 GFADRO CO[C@H]1CCN(C(=O)Cn2c(C)c(Br)c3ccccc32)[C@H](C[NH3+])C1 ZINC000653129019 565955092 /nfs/dbraw/zinc/95/50/92/565955092.db2.gz JVYVXBVNFHOPGZ-KBPBESRZSA-N 1 0 394.313 2.677 20 0 GFADRO C[C@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[N@@H+]1CC[C@H](CC(N)=O)C1 ZINC000676908941 565955508 /nfs/dbraw/zinc/95/55/08/565955508.db2.gz RPDKSEVXOIYUMD-NXEZZACHSA-N 1 0 377.794 2.883 20 0 GFADRO C[NH+](C)CC[C@H](N)C(=O)NCC1(c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000653160389 565956198 /nfs/dbraw/zinc/95/61/98/565956198.db2.gz HGTQJZOLENUMBC-AWEZNQCLSA-N 1 0 377.838 2.786 20 0 GFADRO O=C(COc1ccc(Br)cn1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000631411870 565956810 /nfs/dbraw/zinc/95/68/10/565956810.db2.gz NMXYLZQRXQYIFJ-HNNXBMFYSA-N 1 0 382.302 2.700 20 0 GFADRO COCC[N@@H+]1CC[C@H](NC(=O)NCc2ccc(Br)cc2Cl)C1 ZINC000605877438 565957600 /nfs/dbraw/zinc/95/76/00/565957600.db2.gz FURZQCAPMDKBPC-ZDUSSCGKSA-N 1 0 390.709 2.622 20 0 GFADRO CCn1cc(Br)cc1C(=O)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000653189445 565958395 /nfs/dbraw/zinc/95/83/95/565958395.db2.gz XUEZEFXQYISONA-JGGQBBKZSA-N 1 0 384.318 2.629 20 0 GFADRO COc1cc(Br)ccc1C(=O)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000653187391 565958509 /nfs/dbraw/zinc/95/85/09/565958509.db2.gz XTFPRAKGDICJHV-JGGQBBKZSA-N 1 0 397.313 2.816 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(C(=O)Cc3ccc(F)c(Br)c3)C2)C1 ZINC000653187828 565958621 /nfs/dbraw/zinc/95/86/21/565958621.db2.gz BXDSVHLTZKDARN-CPUCHLNUSA-N 1 0 399.304 2.876 20 0 GFADRO COCC[C@H](Cc1cccc(Br)c1)C(=O)NCCC1(C[NH3+])CC1 ZINC000653219745 565959484 /nfs/dbraw/zinc/95/94/84/565959484.db2.gz PFOUFSFDQKEQTP-OAHLLOKOSA-N 1 0 383.330 2.890 20 0 GFADRO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCCN2C(=O)COc2cccc(Br)c2)C1 ZINC000653267190 565960640 /nfs/dbraw/zinc/96/06/40/565960640.db2.gz MBRVXYJXYANKJX-HYVNUMGLSA-N 1 0 397.313 2.715 20 0 GFADRO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCCN2C(=O)C(=O)c2ccc(Br)cc2)C1 ZINC000653262625 565960759 /nfs/dbraw/zinc/96/07/59/565960759.db2.gz GSPWGFQVMRARMQ-BZUAXINKSA-N 1 0 395.297 2.519 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2C(=O)Cc2cccc(Br)c2)C1 ZINC000653266076 565960795 /nfs/dbraw/zinc/96/07/95/565960795.db2.gz XFCYQWHYNFDBCR-IKGGRYGDSA-N 1 0 381.314 2.879 20 0 GFADRO Cc1c(Br)c[nH]c(=O)c1C(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000631586985 565962972 /nfs/dbraw/zinc/96/29/72/565962972.db2.gz NHFLDRGPIYDSOG-CYBMUJFWSA-N 1 0 382.302 2.662 20 0 GFADRO CN(CC[NH+]1CCCCC1)C(=O)C(=O)NCCc1cc(Cl)cc(Cl)c1 ZINC000653383131 565966070 /nfs/dbraw/zinc/96/60/70/565966070.db2.gz GACHEEJXJDXWDB-UHFFFAOYSA-N 1 0 386.323 2.596 20 0 GFADRO C[NH+](C)[C@H]1C[C@@H](CN2C(=O)CN(Cc3cccc(Br)c3)C2=O)C1 ZINC000653520958 565970864 /nfs/dbraw/zinc/97/08/64/565970864.db2.gz JPNVIVLZYYCOCE-OTVXOJSOSA-N 1 0 380.286 2.554 20 0 GFADRO CS(=O)(=O)N[C@H]1CCC[N@@H+]([C@@H](c2ccc(Cl)cc2)C2CCOCC2)C1 ZINC000653535254 565971884 /nfs/dbraw/zinc/97/18/84/565971884.db2.gz MGLBTYUATQMIDB-ROUUACIJSA-N 1 0 386.945 2.821 20 0 GFADRO CC(C)N(Cc1cccc(Cl)c1)S(=O)(=O)CCCN1CC[NH+](C)CC1 ZINC000631763039 565972300 /nfs/dbraw/zinc/97/23/00/565972300.db2.gz MIVBVHOIBZJLEQ-UHFFFAOYSA-N 1 0 387.977 2.518 20 0 GFADRO CC1CC[NH+]([C@H](CNS(=O)(=O)c2c[nH]c(=O)s2)c2ccccc2)CC1 ZINC000631784247 565974786 /nfs/dbraw/zinc/97/47/86/565974786.db2.gz RBEYGKBPNJBRJN-OAHLLOKOSA-N 1 0 381.523 2.600 20 0 GFADRO CCC[NH+]1CCC(N(C)S(=O)(=O)Cc2ncsc2Br)CC1 ZINC000631794447 565975602 /nfs/dbraw/zinc/97/56/02/565975602.db2.gz NXHNQTGDQLMDBQ-UHFFFAOYSA-N 1 0 396.376 2.542 20 0 GFADRO Clc1cc2c(c(Cl)c1)[C@H]([NH2+][C@H]1CCN(CCN3CCOCC3)C1)CC2 ZINC000677654644 565980530 /nfs/dbraw/zinc/98/05/30/565980530.db2.gz XVZNYYJTHFVDGA-FUHWJXTLSA-N 1 0 384.351 2.977 20 0 GFADRO COc1cc(C[NH2+][C@@H]2CCC[C@@H](S(C)(=O)=O)C2)c(Br)cc1O ZINC000607169212 565980746 /nfs/dbraw/zinc/98/07/46/565980746.db2.gz MBEDDKBUYOFNJQ-VXGBXAGGSA-N 1 0 392.315 2.609 20 0 GFADRO COCC[C@@H](Cc1cccc(Br)c1)C(=O)N1CCC[N@H+](C)CC1 ZINC000607331439 565982662 /nfs/dbraw/zinc/98/26/62/565982662.db2.gz AYCJDRCYODTHCD-INIZCTEOSA-N 1 0 383.330 2.808 20 0 GFADRO O=S(=O)(c1cscc1Br)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000631942547 565984547 /nfs/dbraw/zinc/98/45/47/565984547.db2.gz ALVCWIOZJTXZIU-JQWIXIFHSA-N 1 0 379.345 2.663 20 0 GFADRO O=S(=O)(N[C@H]1CC12CC[NH2+]CC2)c1ccc(C(F)(F)C(F)(F)F)cc1 ZINC000631939001 565984654 /nfs/dbraw/zinc/98/46/54/565984654.db2.gz QNOBFWQVPRSFIM-LBPRGKRZSA-N 1 0 384.370 2.761 20 0 GFADRO [NH3+]C[C@H]1c2ccccc2CCN1S(=O)(=O)c1cscc1Br ZINC000631946481 565985419 /nfs/dbraw/zinc/98/54/19/565985419.db2.gz BOBBVOBTTZCUTN-ZDUSSCGKSA-N 1 0 387.324 2.757 20 0 GFADRO C[C@@H]1CC2(CN1S(=O)(=O)c1csnc1-c1ccccc1)CC[NH2+]CC2 ZINC000631946541 565985527 /nfs/dbraw/zinc/98/55/27/565985527.db2.gz CZCXKTWXVRIEES-CQSZACIVSA-N 1 0 377.535 2.963 20 0 GFADRO O=S(=O)(NCc1cccc2c1CC[NH2+]C2)c1sccc1Br ZINC000631961743 565986519 /nfs/dbraw/zinc/98/65/19/565986519.db2.gz ANWYESJHHPNMMT-UHFFFAOYSA-N 1 0 387.324 2.635 20 0 GFADRO Cc1c(Br)csc1C(=O)NCCCC[N@@H+]1CCC[C@@H]1CO ZINC000631962772 565986871 /nfs/dbraw/zinc/98/68/71/565986871.db2.gz SNDJLFVWTDGNEJ-GFCCVEGCSA-N 1 0 375.332 2.786 20 0 GFADRO O=C1C[C@@H]([C@H]2CCCC[N@H+]2Cc2cn3cc(Br)ccc3n2)CN1 ZINC000677903431 565986901 /nfs/dbraw/zinc/98/69/01/565986901.db2.gz VUSIVFBTGBZKBB-IUODEOHRSA-N 1 0 377.286 2.587 20 0 GFADRO O=S(=O)(c1cscc1Br)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000632017074 565990729 /nfs/dbraw/zinc/99/07/29/565990729.db2.gz MKUKERGVLUUPIP-NSHDSACASA-N 1 0 379.345 2.617 20 0 GFADRO COc1cc(Br)cc(NC(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c1 ZINC000678016860 565993013 /nfs/dbraw/zinc/99/30/13/565993013.db2.gz XWMMEDNQDYWMKB-JKSUJKDBSA-N 1 0 398.301 2.521 20 0 GFADRO CC[NH+](CC)CCN(CCC(F)(F)F)S(=O)(=O)C[C@@H]1CCC1(F)F ZINC000632083269 565996727 /nfs/dbraw/zinc/99/67/27/565996727.db2.gz NEYDFDFMIYEXBV-LBPRGKRZSA-N 1 0 380.423 2.958 20 0 GFADRO Cc1ccc(C[NH2+][C@@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)cc1Br ZINC000678075984 565997346 /nfs/dbraw/zinc/99/73/46/565997346.db2.gz JDBPCPKLECIEQB-MLGOLLRUSA-N 1 0 377.286 2.775 20 0 GFADRO C[C@H](c1ccccc1Br)N1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000678083289 565998429 /nfs/dbraw/zinc/99/84/29/565998429.db2.gz ZHVUYAFQCJIYHG-DYVFJYSZSA-N 1 0 380.330 2.924 20 0 GFADRO Cc1cc(C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)c(C)cc1Br ZINC000678144163 566001942 /nfs/dbraw/zinc/00/19/42/566001942.db2.gz VZNXPBANZJZHOS-INIZCTEOSA-N 1 0 394.357 2.918 20 0 GFADRO C[NH+]1CCC([C@H]2CCN(S(=O)(=O)c3cscc3Br)C2)CC1 ZINC000632144767 566004554 /nfs/dbraw/zinc/00/45/54/566004554.db2.gz LNERCGFPIOTKQH-LBPRGKRZSA-N 1 0 393.372 2.863 20 0 GFADRO O=C(N[C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1cn2ccc(Br)cc2n1 ZINC000654315586 566004929 /nfs/dbraw/zinc/00/49/29/566004929.db2.gz SVWWPTTVYURPBR-ZFWWWQNUSA-N 1 0 377.286 2.844 20 0 GFADRO O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1cn2ccc(Br)cc2n1 ZINC000654315585 566005279 /nfs/dbraw/zinc/00/52/79/566005279.db2.gz SVWWPTTVYURPBR-UKRRQHHQSA-N 1 0 377.286 2.844 20 0 GFADRO Cc1nc(-c2cc3c(s2)CCN(S(=O)(=O)CCC[NH+](C)C)C3)cs1 ZINC000632176578 566007067 /nfs/dbraw/zinc/00/70/67/566007067.db2.gz WJKMATWBCAUBET-UHFFFAOYSA-N 1 0 385.580 2.820 20 0 GFADRO CC(C)(CNC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)c1c(Cl)cccc1Cl ZINC000654428961 566009660 /nfs/dbraw/zinc/00/96/60/566009660.db2.gz PCGRUBOCCBMYKS-QWHCGFSZSA-N 1 0 386.323 2.731 20 0 GFADRO O[C@@H](C[NH2+]Cc1nc2c(s1)CCC2)COc1ccccc1Br ZINC000678496695 566012694 /nfs/dbraw/zinc/01/26/94/566012694.db2.gz OIUVOVMFTGZEBC-NSHDSACASA-N 1 0 383.311 2.924 20 0 GFADRO CCN(CCC[NH+]1CCCC1)S(=O)(=O)Cc1ncsc1Br ZINC000632265711 566014955 /nfs/dbraw/zinc/01/49/55/566014955.db2.gz GQXJUDZFQWPAHQ-UHFFFAOYSA-N 1 0 396.376 2.543 20 0 GFADRO CN(CCC[NH2+][C@@H](c1ccc(Br)cc1)C1CC1)S(C)(=O)=O ZINC000678685910 566017531 /nfs/dbraw/zinc/01/75/31/566017531.db2.gz WMVWQBRYTPGOGO-OAHLLOKOSA-N 1 0 375.332 2.771 20 0 GFADRO CN(C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000654665550 566018249 /nfs/dbraw/zinc/01/82/49/566018249.db2.gz MOEVVBRODAUOOS-AYCDNXFUSA-N 1 0 386.323 2.933 20 0 GFADRO CC(C)[C@H]([NH2+]CC(=O)Nc1ccc(Br)cc1)C(=O)N1CCCC1 ZINC000678776279 566020502 /nfs/dbraw/zinc/02/05/02/566020502.db2.gz FHKNQXXUQALBRF-INIZCTEOSA-N 1 0 382.302 2.624 20 0 GFADRO O=C(N[C@H](CO)c1cccc(Br)c1)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000654729158 566020789 /nfs/dbraw/zinc/02/07/89/566020789.db2.gz DAGHWKJMDIMJEU-BRWVUGGUSA-N 1 0 396.329 2.799 20 0 GFADRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1S(=O)(=O)c1cscc1Br ZINC000632337333 566022599 /nfs/dbraw/zinc/02/25/99/566022599.db2.gz XXAZKCWEMDBPRE-CMPLNLGQSA-N 1 0 379.345 2.758 20 0 GFADRO CC(C)[C@@H](NC(=O)c1ccccc1Br)C(=O)N(C)CCC[NH+](C)C ZINC000678866209 566023045 /nfs/dbraw/zinc/02/30/45/566023045.db2.gz PIEQSRZKSNMVKT-MRXNPFEDSA-N 1 0 398.345 2.614 20 0 GFADRO C[N@@H+]1CCC[C@@]2(CCN(S(=O)(=O)c3cscc3Br)C2)C1 ZINC000632370920 566025848 /nfs/dbraw/zinc/02/58/48/566025848.db2.gz OHBJFSSODKUBLJ-CYBMUJFWSA-N 1 0 379.345 2.617 20 0 GFADRO C[C@@H](NC(=O)COc1ccc(Br)cn1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000632370103 566026097 /nfs/dbraw/zinc/02/60/97/566026097.db2.gz VKKNXHSDKCGSEH-ZIAGYGMSSA-N 1 0 396.329 2.992 20 0 GFADRO C[C@H](CC[NH+](C)C)NC(=O)NCCc1ccc(I)s1 ZINC000608892357 566026655 /nfs/dbraw/zinc/02/66/55/566026655.db2.gz BVZODSLHYXXGCR-SNVBAGLBSA-N 1 0 395.310 2.535 20 0 GFADRO Cc1cc(Br)cc(NC(=O)C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)c1 ZINC000654948940 566031297 /nfs/dbraw/zinc/03/12/97/566031297.db2.gz JNKJRMNEXDBMDW-JKSUJKDBSA-N 1 0 394.313 2.829 20 0 GFADRO CC(C)(CO)[NH+]1CCN(C(=O)CCOc2ccc(Cl)cc2Cl)CC1 ZINC000679316410 566036342 /nfs/dbraw/zinc/03/63/42/566036342.db2.gz SBENFMFZEUMHKK-UHFFFAOYSA-N 1 0 375.296 2.677 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000655420690 566056202 /nfs/dbraw/zinc/05/62/02/566056202.db2.gz CQVOZQIRQFYNMM-KSSFIOAISA-N 1 0 394.313 2.544 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000655431330 566056498 /nfs/dbraw/zinc/05/64/98/566056498.db2.gz DCVDQCQPIIICON-KSSFIOAISA-N 1 0 394.313 2.592 20 0 GFADRO O=C(NC1(c2cccc(Br)c2)CCOCC1)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000655429902 566056618 /nfs/dbraw/zinc/05/66/18/566056618.db2.gz PZZZNLCPRFDGNB-FUHWJXTLSA-N 1 0 393.325 2.961 20 0 GFADRO Cn1cnnc1Sc1ccc(NC(=O)[C@@H]2C[C@@]23CCC[NH2+]C3)cc1Cl ZINC000655437188 566057304 /nfs/dbraw/zinc/05/73/04/566057304.db2.gz RTTYLYSKHLYJHA-YVEFUNNKSA-N 1 0 377.901 2.948 20 0 GFADRO Cc1c(Br)cccc1CS(=O)(=O)N(C)[C@@H]1CCC[N@H+](C)C1 ZINC000655522897 566063523 /nfs/dbraw/zinc/06/35/23/566063523.db2.gz BJROYNMAIRKEFO-CQSZACIVSA-N 1 0 375.332 2.613 20 0 GFADRO Cc1c(Br)cccc1CS(=O)(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000655524306 566063799 /nfs/dbraw/zinc/06/37/99/566063799.db2.gz YVJNHHIIMXGOHZ-BXUZGUMPSA-N 1 0 375.332 2.660 20 0 GFADRO O=C(NCC1CC[NH+](C2CC2)CC1)c1cc(Br)c2nccn2c1 ZINC000632774224 566066849 /nfs/dbraw/zinc/06/68/49/566066849.db2.gz HAJZKLQCRUBVKA-UHFFFAOYSA-N 1 0 377.286 2.701 20 0 GFADRO O=C(c1cc(=O)[nH]c2ccc(Br)cc21)N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000632858528 566071130 /nfs/dbraw/zinc/07/11/30/566071130.db2.gz MJENZNRTARWVAV-ZBEGNZNMSA-N 1 0 390.281 2.917 20 0 GFADRO COc1cc(C(=O)N2CCC[C@H]3C[NH2+]CC[C@@H]32)cc(OC)c1Br ZINC000632861167 566071405 /nfs/dbraw/zinc/07/14/05/566071405.db2.gz LKRITCKZPXSREZ-AAEUAGOBSA-N 1 0 383.286 2.680 20 0 GFADRO O=C(c1cnn(-c2ccc(Br)cc2)c1)N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000632861518 566072460 /nfs/dbraw/zinc/07/24/60/566072460.db2.gz SFNGUFJHNICVMR-SUMWQHHRSA-N 1 0 389.297 2.849 20 0 GFADRO O=C(Nc1ccc(Cl)cc1Br)N1CCC([NH2+]CCO)CC1 ZINC000632923576 566073838 /nfs/dbraw/zinc/07/38/38/566073838.db2.gz PWSMVDTXPCSIDR-UHFFFAOYSA-N 1 0 376.682 2.681 20 0 GFADRO C[C@H]1C[C@@H]([NH3+])CN1C(=O)Nc1ccnn1Cc1ccc(Br)cc1 ZINC000632936832 566075566 /nfs/dbraw/zinc/07/55/66/566075566.db2.gz PWRCGAUVBJSMOE-SMDDNHRTSA-N 1 0 378.274 2.647 20 0 GFADRO C[NH+](C)CCCNC(=O)N1CCC(Oc2cccc(Br)c2)CC1 ZINC000680604238 566078046 /nfs/dbraw/zinc/07/80/46/566078046.db2.gz ZQVYNHHUONRBFB-UHFFFAOYSA-N 1 0 384.318 2.954 20 0 GFADRO Cc1cc(Br)ccc1C(=O)N1CCC([NH2+]C[C@@H](C)N(C)C)CC1 ZINC000680635325 566078900 /nfs/dbraw/zinc/07/89/00/566078900.db2.gz OYEPWHYUMIDSRC-CQSZACIVSA-N 1 0 382.346 2.902 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)C(=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000633047383 566081928 /nfs/dbraw/zinc/08/19/28/566081928.db2.gz NLTGSABAVQMEQE-ZDUSSCGKSA-N 1 0 382.302 2.590 20 0 GFADRO O=S(=O)(N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1cc(F)ccc1OC(F)F ZINC000655669401 566082110 /nfs/dbraw/zinc/08/21/10/566082110.db2.gz ZOUSFUVVMXEFFE-OLZOCXBDSA-N 1 0 378.416 2.722 20 0 GFADRO Cc1nn(-c2cccc(Br)c2)cc1C[NH2+]C[C@H](O)COCC1CC1 ZINC000655724709 566084530 /nfs/dbraw/zinc/08/45/30/566084530.db2.gz XMCHEWHXZBAKAU-SFHVURJKSA-N 1 0 394.313 2.820 20 0 GFADRO CCCNC(=O)CC[NH2+]Cc1cn(-c2cccc(Br)c2)nc1C ZINC000655715167 566084745 /nfs/dbraw/zinc/08/47/45/566084745.db2.gz GHBNDRNFKNFLKQ-UHFFFAOYSA-N 1 0 379.302 2.949 20 0 GFADRO OC[C@H](NC1CC[NH+](C[C@H]2CCCO2)CC1)c1cccc(Br)c1 ZINC000655733695 566085465 /nfs/dbraw/zinc/08/54/65/566085465.db2.gz QAOUAHGJZIELGX-MSOLQXFVSA-N 1 0 383.330 2.716 20 0 GFADRO CNC(=O)[C@H]1CCC[C@@H]1[NH2+]Cc1cn(-c2ccccc2Br)nc1C ZINC000655753820 566087157 /nfs/dbraw/zinc/08/71/57/566087157.db2.gz GHDHMGOODMYNSD-HOCLYGCPSA-N 1 0 391.313 2.948 20 0 GFADRO CNC(=O)C(C)(C)C[NH2+]Cc1cn(-c2ccccc2Br)nc1C ZINC000655752792 566087190 /nfs/dbraw/zinc/08/71/90/566087190.db2.gz VBKOASGUYZJBRA-UHFFFAOYSA-N 1 0 379.302 2.805 20 0 GFADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)NCc1ccsc1C(F)(F)F ZINC000633172870 566087796 /nfs/dbraw/zinc/08/77/96/566087796.db2.gz LZFWCYCPPDFWLI-LBPRGKRZSA-N 1 0 378.464 2.592 20 0 GFADRO Cc1cc(Br)cc(C(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)c1 ZINC000680970602 566089523 /nfs/dbraw/zinc/08/95/23/566089523.db2.gz OFBKRDHCBVAWDP-INIZCTEOSA-N 1 0 380.330 2.656 20 0 GFADRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)c3cc(Br)c4nccn4c3)C2)C1 ZINC000633205309 566089655 /nfs/dbraw/zinc/08/96/55/566089655.db2.gz CBYWYZBRXWGHJD-QGZVFWFLSA-N 1 0 377.286 2.655 20 0 GFADRO COc1cc(CNC2CC[NH+]([C@@H]3CCOC3)CC2)c(Br)cc1O ZINC000655792569 566090361 /nfs/dbraw/zinc/09/03/61/566090361.db2.gz LMYWDAFQHXCCSL-CQSZACIVSA-N 1 0 385.302 2.506 20 0 GFADRO C[C@H](c1ccccc1)[C@@H](CO)[NH2+][C@@H](C(N)=O)c1ccc(Br)cc1 ZINC000680993941 566090233 /nfs/dbraw/zinc/09/02/33/566090233.db2.gz RNHGWSTWPARMKX-CSMYWGQOSA-N 1 0 377.282 2.730 20 0 GFADRO COc1c(Br)cc(Br)cc1C[NH2+]C[C@@](C)(CO)OC ZINC000655811865 566090414 /nfs/dbraw/zinc/09/04/14/566090414.db2.gz XGLLYOPAGOTFOE-ZDUSSCGKSA-N 1 0 397.107 2.707 20 0 GFADRO O=C(N[C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1nc(C2CC2)ncc1Br ZINC000655913916 566094793 /nfs/dbraw/zinc/09/47/93/566094793.db2.gz CUFJUMYDTUPELH-KBPBESRZSA-N 1 0 379.302 2.863 20 0 GFADRO [NH3+]C[C@H](NC(=O)NCCC(=O)Nc1cc(Cl)cc(Cl)c1)C(F)(F)F ZINC000655925910 566096515 /nfs/dbraw/zinc/09/65/15/566096515.db2.gz GONSHCMXEXERNK-JTQLQIEISA-N 1 0 387.189 2.511 20 0 GFADRO Cc1c(Br)cccc1CS(=O)(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000655950236 566098001 /nfs/dbraw/zinc/09/80/01/566098001.db2.gz IWQNGWSIIFYPMK-QWHCGFSZSA-N 1 0 375.332 2.647 20 0 GFADRO Cc1c(Br)cccc1CS(=O)(=O)N1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000655950470 566098188 /nfs/dbraw/zinc/09/81/88/566098188.db2.gz LUPYLWAMZNUDSH-ABAIWWIYSA-N 1 0 375.332 2.647 20 0 GFADRO Cc1c(Br)cccc1CS(=O)(=O)N1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000655950471 566098790 /nfs/dbraw/zinc/09/87/90/566098790.db2.gz LUPYLWAMZNUDSH-IAQYHMDHSA-N 1 0 375.332 2.647 20 0 GFADRO Cc1c(Br)cccc1CS(=O)(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000655951022 566099001 /nfs/dbraw/zinc/09/90/01/566099001.db2.gz DHHMBDWGFFIGEP-HNNXBMFYSA-N 1 0 375.332 2.567 20 0 GFADRO C[C@]1(CNC(=O)N2CCOc3cccc(Br)c3C2)CCC[NH2+]C1 ZINC000655965142 566099955 /nfs/dbraw/zinc/09/99/55/566099955.db2.gz OJQDNVVLCFYZMI-KRWDZBQOSA-N 1 0 382.302 2.743 20 0 GFADRO CC[C@@H]([NH2+]CCCS(C)(=O)=O)c1ccc(I)cc1 ZINC000610810816 566100981 /nfs/dbraw/zinc/10/09/81/566100981.db2.gz NZDOKUNLUGNUHW-CYBMUJFWSA-N 1 0 381.279 2.767 20 0 GFADRO C[N@@H+]1CCCC[C@@H]1C(=O)N1CCO[C@H](c2ccc(F)c(Br)c2)C1 ZINC000681363823 566104072 /nfs/dbraw/zinc/10/40/72/566104072.db2.gz ZUOZVGAEOZEOOT-CVEARBPZSA-N 1 0 385.277 2.972 20 0 GFADRO CN(CCN1CCCS1(=O)=O)Cc1nc(-c2ccccc2Cl)cs1 ZINC000681405025 566104838 /nfs/dbraw/zinc/10/48/38/566104838.db2.gz PIHODXBPSYWTCL-UHFFFAOYSA-N 1 0 385.942 2.931 20 0 GFADRO O=C(c1sccc1Br)N1CCc2[nH]cnc2C12CCOCC2 ZINC000633525311 566108488 /nfs/dbraw/zinc/10/84/88/566108488.db2.gz AKFFHRIGYQZQII-UHFFFAOYSA-N 1 0 382.283 2.938 20 0 GFADRO CN(C(=O)c1cccc(F)c1I)C1CC[NH+](C)CC1 ZINC000610999860 566109245 /nfs/dbraw/zinc/10/92/45/566109245.db2.gz LXPLKFRBXUNEFP-UHFFFAOYSA-N 1 0 376.213 2.597 20 0 GFADRO CCn1cnnc1CC[NH2+]Cc1ncc(Br)cc1Br ZINC000681489514 566109413 /nfs/dbraw/zinc/10/94/13/566109413.db2.gz YNMSOYGWNYTZET-UHFFFAOYSA-N 1 0 389.095 2.550 20 0 GFADRO C[NH+](C)CCCNC(=O)NCc1cc(Br)ccc1Br ZINC000681505681 566109946 /nfs/dbraw/zinc/10/99/46/566109946.db2.gz AAINJMUCEQBLLN-UHFFFAOYSA-N 1 0 393.123 2.963 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)c2cccc(F)c2I)C[N@@H+]1C1CC1 ZINC000611004282 566110434 /nfs/dbraw/zinc/11/04/34/566110434.db2.gz QMWAIPKKSRXNCU-ZJUUUORDSA-N 1 0 388.224 2.785 20 0 GFADRO C[C@@H]1CN(c2ncc3scc(Br)c3n2)CC[N@@H+]1CC(C)(C)O ZINC000656173624 566110704 /nfs/dbraw/zinc/11/07/04/566110704.db2.gz AVSODZSBDWLUFK-SNVBAGLBSA-N 1 0 385.331 2.735 20 0 GFADRO NS(=O)(=O)c1ccc(N[C@H]2CCC[N@@H+]3CCCC[C@H]23)c(C(F)(F)F)c1 ZINC000656228078 566114822 /nfs/dbraw/zinc/11/48/22/566114822.db2.gz VEIUMSQWXOOLDR-LSDHHAIUSA-N 1 0 377.432 2.782 20 0 GFADRO CS[C@@H]1CN(C(=O)C2(c3ccc(Br)cc3)CC2)C[C@@H]1[NH+](C)C ZINC000611165473 566118522 /nfs/dbraw/zinc/11/85/22/566118522.db2.gz VSNISTMKMJOIBR-LSDHHAIUSA-N 1 0 383.355 2.985 20 0 GFADRO O=C(NCc1nc2c(cccc2Br)[nH]1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000656275462 566121802 /nfs/dbraw/zinc/12/18/02/566121802.db2.gz UCCRVLFRCDIICM-LBPRGKRZSA-N 1 0 392.301 2.705 20 0 GFADRO CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000656360161 566125382 /nfs/dbraw/zinc/12/53/82/566125382.db2.gz RWKQBRUWJVGEKB-HUUCEWRRSA-N 1 0 383.945 2.883 20 0 GFADRO Brc1cnn(Cc2cn([C@H]3CC[N@H+](Cc4ccccc4)C3)nn2)c1 ZINC000656455397 566127359 /nfs/dbraw/zinc/12/73/59/566127359.db2.gz FRIMWIYBXCBHAH-KRWDZBQOSA-N 1 0 387.285 2.732 20 0 GFADRO CC1(C)CN(C(=O)CCOc2ccc(Cl)c(Cl)c2)CC[N@@H+]1CCO ZINC000682011933 566138848 /nfs/dbraw/zinc/13/88/48/566138848.db2.gz ZIJCSPQRQQUQAC-UHFFFAOYSA-N 1 0 375.296 2.677 20 0 GFADRO O=C(C1CC1)N1CCC[N@@H+](C[C@@H](O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000682030495 566140931 /nfs/dbraw/zinc/14/09/31/566140931.db2.gz MNPLUHCOOKCORZ-CQSZACIVSA-N 1 0 387.307 2.677 20 0 GFADRO C[NH+]1CCC(n2cc(NC(=O)COc3ccccc3Br)cn2)CC1 ZINC000634093269 566143587 /nfs/dbraw/zinc/14/35/87/566143587.db2.gz LVVZMSBIMJZQJT-UHFFFAOYSA-N 1 0 393.285 2.930 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@H]1NS(=O)(=O)c1ccc(Br)cc1Cl ZINC000682257011 566148455 /nfs/dbraw/zinc/14/84/55/566148455.db2.gz VAQDKJQJFJMCGW-VXGBXAGGSA-N 1 0 381.723 2.864 20 0 GFADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)Nc1cc(Br)c(C)cc1C ZINC000682274462 566148802 /nfs/dbraw/zinc/14/88/02/566148802.db2.gz QVHBGZGVWJFFTD-AWEZNQCLSA-N 1 0 396.329 2.995 20 0 GFADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)Nc1ccc(F)c(Br)c1 ZINC000682274057 566148971 /nfs/dbraw/zinc/14/89/71/566148971.db2.gz VXZQFWRFFVGVJK-NSHDSACASA-N 1 0 386.265 2.517 20 0 GFADRO Cc1cc(Br)cc(NC(=O)C(=O)N2CCC[C@H]([NH2+]C(C)C)C2)c1 ZINC000682352779 566151404 /nfs/dbraw/zinc/15/14/04/566151404.db2.gz PTANOLJWAWBLNT-AWEZNQCLSA-N 1 0 382.302 2.685 20 0 GFADRO Cc1cc(NC(=O)C(=O)N2CCC[C@@H]([NH2+]C(C)C)C2)ccc1Br ZINC000682355205 566151536 /nfs/dbraw/zinc/15/15/36/566151536.db2.gz KBUZQDRSAYCLGM-CQSZACIVSA-N 1 0 382.302 2.685 20 0 GFADRO O=C(NCC[NH2+][C@H]1CCc2c1cccc2F)c1ccc(Br)cn1 ZINC000656678921 566154456 /nfs/dbraw/zinc/15/44/56/566154456.db2.gz NAPVDQRMTFNYPM-HNNXBMFYSA-N 1 0 378.245 2.990 20 0 GFADRO Cc1ccc(Cl)c(OC[C@@H](O)C[NH2+]Cc2cnc(C(F)(F)F)nc2)c1 ZINC000656704996 566155604 /nfs/dbraw/zinc/15/56/04/566155604.db2.gz MOYHWFSCTPZZRM-LBPRGKRZSA-N 1 0 375.778 2.987 20 0 GFADRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)[C@@H]1CCO[C@H]1c1cncc(Br)c1 ZINC000612303912 566157823 /nfs/dbraw/zinc/15/78/23/566157823.db2.gz KGISEDCMENCMDZ-FKSAFCJBSA-N 1 0 394.313 2.521 20 0 GFADRO O[C@H](COc1cc(Cl)cc(Cl)c1)C[NH+]1CCC(Cn2ccnn2)CC1 ZINC000634646948 566163674 /nfs/dbraw/zinc/16/36/74/566163674.db2.gz OJOSAEBGXJSWGZ-INIZCTEOSA-N 1 0 385.295 2.737 20 0 GFADRO COCC1(C2CC2)C[NH+](C[C@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000634652157 566164497 /nfs/dbraw/zinc/16/44/97/566164497.db2.gz IVJZPAUZLMWEEQ-HNNXBMFYSA-N 1 0 388.277 2.686 20 0 GFADRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2cc(Br)cc3[nH]c(=O)[nH]c32)C1 ZINC000612649461 566168441 /nfs/dbraw/zinc/16/84/41/566168441.db2.gz MMTATHLIYRGNNU-HZMBPMFUSA-N 1 0 393.285 2.587 20 0 GFADRO NC(=O)[C@H]1CC[C@H](C[NH2+]C[C@@H](O)COc2cc(Cl)cc(Cl)c2)CC1 ZINC000634717996 566172149 /nfs/dbraw/zinc/17/21/49/566172149.db2.gz UWHPSHXWAVMAMB-LALPHHSUSA-N 1 0 375.296 2.614 20 0 GFADRO O[C@H](COc1ccc(Br)cc1)C[N@@H+]1CCO[C@H](C(F)F)CC1 ZINC000634749968 566174250 /nfs/dbraw/zinc/17/42/50/566174250.db2.gz JWYRLFFJWXXUBO-JSGCOSHPSA-N 1 0 380.229 2.545 20 0 GFADRO O[C@@H](COc1ccc(Br)cc1)C[N@@H+]1CCO[C@@H](C(F)F)CC1 ZINC000634749970 566174613 /nfs/dbraw/zinc/17/46/13/566174613.db2.gz JWYRLFFJWXXUBO-TZMCWYRMSA-N 1 0 380.229 2.545 20 0 GFADRO O=C(CCNC(=O)N[C@@H]1CC12CC[NH2+]CC2)Nc1cc(Cl)cc(Cl)c1 ZINC000612983281 566181345 /nfs/dbraw/zinc/18/13/45/566181345.db2.gz NZAAJTWBZJOYFI-CQSZACIVSA-N 1 0 385.295 2.763 20 0 GFADRO O=S1(=O)CCC[C@@H]([NH2+][C@@H]2CCN(c3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000634962165 566186027 /nfs/dbraw/zinc/18/60/27/566186027.db2.gz MSWSFOKMFZXWLH-HUUCEWRRSA-N 1 0 376.444 2.841 20 0 GFADRO C[NH+](C)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000683200268 566188590 /nfs/dbraw/zinc/18/85/90/566188590.db2.gz YPONHCUSRUUGFE-CQSZACIVSA-N 1 0 380.432 2.831 20 0 GFADRO C[NH+](C)[C@H]1CCCN(S(=O)(=O)Cc2cc(F)ccc2Br)CC1 ZINC000656971440 566197239 /nfs/dbraw/zinc/19/72/39/566197239.db2.gz FUMHUTIQZPOUMA-AWEZNQCLSA-N 1 0 393.322 2.834 20 0 GFADRO C[N@@H+]1CC[C@@H](CC(=O)N2CCN(C(=O)c3cc(Cl)cc(Cl)c3)CC2)C1 ZINC000635214430 566198894 /nfs/dbraw/zinc/19/88/94/566198894.db2.gz HNEYPHGDQXCPSH-ZDUSSCGKSA-N 1 0 384.307 2.620 20 0 GFADRO C[N@@H+]1CC[C@H](CC(=O)NC2(c3ccc(Br)cc3)CCOCC2)C1 ZINC000635408836 566211184 /nfs/dbraw/zinc/21/11/84/566211184.db2.gz UJGVQPFEGAHKKH-CQSZACIVSA-N 1 0 381.314 2.913 20 0 GFADRO C[C@H](C(=O)N1CCC(C(=O)Nc2ccccc2Br)CC1)[NH+](C)C ZINC000635474518 566215609 /nfs/dbraw/zinc/21/56/09/566215609.db2.gz OKUYPDVJGMZNML-GFCCVEGCSA-N 1 0 382.302 2.576 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@H](NS(=O)(=O)Cc2ccccc2Br)C1 ZINC000657061625 566216074 /nfs/dbraw/zinc/21/60/74/566216074.db2.gz NNOYVMRHAZDSPQ-ZDUSSCGKSA-N 1 0 375.332 2.741 20 0 GFADRO C[C@@H](CN(C)CCC[NH+](C)C)NS(=O)(=O)Cc1c(Cl)cccc1Cl ZINC000657071711 566218055 /nfs/dbraw/zinc/21/80/55/566218055.db2.gz SMZVSNXZLUHKAC-ZDUSSCGKSA-N 1 0 396.384 2.685 20 0 GFADRO CC(C)(C[NH+]1CCOCC1)C(=O)N1CCc2sc(Br)cc2C1 ZINC000635715990 566222584 /nfs/dbraw/zinc/22/25/84/566222584.db2.gz NIARAWBGAPHYIY-UHFFFAOYSA-N 1 0 387.343 2.754 20 0 GFADRO C[C@@H]1CN(CC[N@H+](C)C[C@H](O)COc2ccc(Cl)c(Cl)c2)C[C@H](C)O1 ZINC000684003525 566222754 /nfs/dbraw/zinc/22/27/54/566222754.db2.gz LUCJBMFADSSIFI-ZNMIVQPWSA-N 1 0 391.339 2.774 20 0 GFADRO O=C(CCn1cc(Br)cn1)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000684229253 566231075 /nfs/dbraw/zinc/23/10/75/566231075.db2.gz QHQNQYNVDTUPRK-MRXNPFEDSA-N 1 0 391.313 2.674 20 0 GFADRO C[N@@H+]1CCC[C@@H](NC(=O)N[C@H](CO)c2ccc(Cl)cc2C(F)(F)F)C1 ZINC000684367304 566234711 /nfs/dbraw/zinc/23/47/11/566234711.db2.gz AEOBWBAVMPJBDU-BXUZGUMPSA-N 1 0 379.810 2.786 20 0 GFADRO CC(C)c1nn(-c2ccc(Br)cc2)cc1C[NH2+]C[C@@](C)(O)CO ZINC000684536470 566238256 /nfs/dbraw/zinc/23/82/56/566238256.db2.gz HCGGICQERRPNCE-QGZVFWFLSA-N 1 0 382.302 2.591 20 0 GFADRO CN(CCC[NH2+][C@@H](c1ccc(Br)cc1F)C1CC1)S(C)(=O)=O ZINC000684550138 566238335 /nfs/dbraw/zinc/23/83/35/566238335.db2.gz PTIYIKKCNFHYNU-OAHLLOKOSA-N 1 0 393.322 2.910 20 0 GFADRO CCC[N@H+](CCc1cccc(F)c1)CC(=O)NCc1cccc(-c2nn[nH]n2)c1 ZINC000736478542 598833258 /nfs/dbraw/zinc/83/32/58/598833258.db2.gz CWSUHCZGNAEOJJ-UHFFFAOYSA-N 1 0 396.470 2.577 20 0 GFADRO Cc1ccc(C[C@H]2CCC[N@@H+]2C[C@@H](O)COc2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000737336173 598833891 /nfs/dbraw/zinc/83/38/91/598833891.db2.gz YIVANWSPPVQODK-WOJBJXKFSA-N 1 0 393.491 2.622 20 0 GFADRO C[C@@]1(C[NH2+]Cc2cccc(OCc3ccccc3-c3nn[nH]n3)c2)CCOC1 ZINC000736217617 598837557 /nfs/dbraw/zinc/83/75/57/598837557.db2.gz ZANXZLHQZYXEEE-NRFANRHFSA-N 1 0 379.464 2.962 20 0 GFADRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(CCOc2ccccc2-c2nn[nH]n2)C1 ZINC000736265454 598870648 /nfs/dbraw/zinc/87/06/48/598870648.db2.gz AZNSURGMIVRIMY-ROUUACIJSA-N 1 0 384.528 2.832 20 0 GFADRO c1csc(C2(C[NH2+]C[C@@H]3CNc4c(-c5nn[nH]n5)cnn4C3)CCCCC2)c1 ZINC000738452280 598887807 /nfs/dbraw/zinc/88/78/07/598887807.db2.gz NOYQDDABBJQAJD-CQSZACIVSA-N 1 0 398.540 2.658 20 0 GFADRO O[C@@H]1CCCC[C@@H]1[NH2+]Cc1cccc(OCc2ccccc2-c2nn[nH]n2)c1 ZINC000738390122 598900949 /nfs/dbraw/zinc/90/09/49/598900949.db2.gz PHUZJGHKLXGRKF-VQTJNVASSA-N 1 0 379.464 2.839 20 0 GFADRO CCOc1ccccc1C[N@H+](C)CCC(=O)Nc1ccccc1-c1nn[nH]n1 ZINC000736654808 598945835 /nfs/dbraw/zinc/94/58/35/598945835.db2.gz YMPSXEAUTWDCOE-UHFFFAOYSA-N 1 0 380.452 2.726 20 0 GFADRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)c(C)c1 ZINC000737318355 598961675 /nfs/dbraw/zinc/96/16/75/598961675.db2.gz AGBNUOUVFMFCOH-DNVCBOLYSA-N 1 0 376.464 2.940 20 0 GFADRO O=C(OC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1cccc(-c2nn[nH]n2)c1 ZINC000738218510 598978651 /nfs/dbraw/zinc/97/86/51/598978651.db2.gz HGNOPQCNGMRJEP-QGZVFWFLSA-N 1 0 377.448 2.936 20 0 GFADRO CC1CC[NH+]([C@H](CNC(=O)c2ccc(-c3nn[nH]n3)nc2)c2cccs2)CC1 ZINC000736279138 598983362 /nfs/dbraw/zinc/98/33/62/598983362.db2.gz VRSWONKNZXGBCA-MRXNPFEDSA-N 1 0 397.508 2.526 20 0 GFADRO CN(CC[N@H+](C)C1CCCCC1)c1nc(C(F)(F)F)ccc1-c1nn[nH]n1 ZINC000736799188 599048796 /nfs/dbraw/zinc/04/87/96/599048796.db2.gz OZHMRSOZKBKUJH-UHFFFAOYSA-N 1 0 383.422 2.981 20 0 GFADRO O=C(OCc1ccc(F)cc1-c1nn[nH]n1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000738232120 599057450 /nfs/dbraw/zinc/05/74/50/599057450.db2.gz PKTPOMAZNCJKSO-INIZCTEOSA-N 1 0 395.438 2.961 20 0 GFADRO Cc1ccc(C[C@H]2CCC[N@@H+]([C@@H](C(N)=O)c3ccc(-c4nn[nH]n4)cc3)C2)cc1 ZINC000737334568 599071287 /nfs/dbraw/zinc/07/12/87/599071287.db2.gz IYGBOHSVSVRUAX-YLJYHZDGSA-N 1 0 390.491 2.656 20 0 GFADRO COc1cc(-c2nn[nH]n2)ccc1OCC[NH2+][C@H](c1ncccc1C)C(C)C ZINC000737032144 599133715 /nfs/dbraw/zinc/13/37/15/599133715.db2.gz IKFOBSWWOCUBNY-SFHVURJKSA-N 1 0 382.468 2.944 20 0 GFADRO C[C@@H]1CCC[C@H](C)[N@H+](CC(=O)Nc2c(-c3nn[nH]n3)cnn2-c2ccccc2)C1 ZINC000736243990 599140252 /nfs/dbraw/zinc/14/02/52/599140252.db2.gz BTKGUVPRGYBCBB-CABCVRRESA-N 1 0 394.483 2.501 20 0 GFADRO CC1(C)CCC[N@H+](CC(=O)Nc2c(-c3nn[nH]n3)cnn2-c2ccccc2)CC1 ZINC000736211945 599141086 /nfs/dbraw/zinc/14/10/86/599141086.db2.gz RYEWSPVPYOPTNP-UHFFFAOYSA-N 1 0 394.483 2.503 20 0 GFADRO C[C@@H]1C[N@H+](CC(=O)NCc2cccc(-c3nn[nH]n3)c2)CC[C@@H]1c1ccccc1 ZINC000736284869 599144572 /nfs/dbraw/zinc/14/45/72/599144572.db2.gz HFDKYRJYUHBPNM-UZLBHIALSA-N 1 0 390.491 2.609 20 0 GFADRO C[C@@H]1CCN(C(=O)Cc2ccc(-c3nn[nH]n3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000820717733 599217668 /nfs/dbraw/zinc/21/76/68/599217668.db2.gz VLYCYTUJMVRCFZ-QGZVFWFLSA-N 1 0 390.491 2.532 20 0 GFADRO O=C(CCc1ccc(-c2nn[nH]n2)cc1)O[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000737854004 599221341 /nfs/dbraw/zinc/22/13/41/599221341.db2.gz PWQTZTVMYRDCGK-IBGZPJMESA-N 1 0 377.448 2.617 20 0 GFADRO Oc1ccc(Br)c(C[NH2+]CCOc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000823727217 607260181 /nfs/dbraw/zinc/26/01/81/607260181.db2.gz VBDSPDLOEPVUNP-UHFFFAOYSA-N 1 0 390.241 2.503 20 0 GFADRO Cc1c(NC(=O)N2CCC[N@H+](Cc3ccccc3)CC2)cccc1-c1nn[nH]n1 ZINC000822084999 607281472 /nfs/dbraw/zinc/28/14/72/607281472.db2.gz VHXUPBBSKOGTRG-UHFFFAOYSA-N 1 0 391.479 2.915 20 0 GFADRO Cc1cccc2c1ncc(-c1nn[nH]n1)c2NC[C@H](c1cccc(F)c1)[NH+](C)C ZINC000737410839 599257704 /nfs/dbraw/zinc/25/77/04/599257704.db2.gz UMKXRFKFLSTMAG-GOSISDBHSA-N 1 0 391.454 2.999 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1CCCNc1c(-c2nn[nH]n2)cnc2c(F)ccc(F)c21 ZINC000736267058 599258566 /nfs/dbraw/zinc/25/85/66/599258566.db2.gz LMGKEZHAOPKPND-GFCCVEGCSA-N 1 0 387.438 2.791 20 0 GFADRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(CCCOc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000736237363 599270444 /nfs/dbraw/zinc/27/04/44/599270444.db2.gz QANAPYIZNWJVDY-ZHALLVOQSA-N 1 0 384.528 2.973 20 0 GFADRO CN(C[C@@H]1CC[N@H+](Cc2ccc(F)cc2-c2nn[nH]n2)C1)C(=O)OC(C)(C)C ZINC000736793834 598247455 /nfs/dbraw/zinc/24/74/55/598247455.db2.gz ZZRDNLZKYYEJAA-ZDUSSCGKSA-N 1 0 390.463 2.695 20 0 GFADRO CC[NH+](CC)CCNC(=O)c1ccc(Oc2cccc(F)c2-c2nn[nH]n2)cc1 ZINC000736530811 598400153 /nfs/dbraw/zinc/40/01/53/598400153.db2.gz MVVAXUHIGWWLLJ-UHFFFAOYSA-N 1 0 398.442 2.870 20 0 GFADRO CCC[N@H+](CCC(=O)Nc1sccc1-c1nn[nH]n1)C[C@H]1CCCCO1 ZINC000736472052 598405495 /nfs/dbraw/zinc/40/54/95/598405495.db2.gz SNKJYPUSLRABBL-CYBMUJFWSA-N 1 0 378.502 2.538 20 0 GFADRO C[C@@H](NC(=O)OC(C)(C)C)C1CC[NH+](Cc2ccccc2-c2nn[nH]n2)CC1 ZINC000736118181 598405552 /nfs/dbraw/zinc/40/55/52/598405552.db2.gz UKKJNCANGOLSQQ-CQSZACIVSA-N 1 0 386.500 2.992 20 0 GFADRO CN(C(=O)c1ccc(-c2nn[nH]n2)cc1)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000821573176 607354288 /nfs/dbraw/zinc/35/42/88/607354288.db2.gz DNTZCFOBFSEQCK-UHFFFAOYSA-N 1 0 392.463 2.618 20 0 GFADRO CC[N@H+](C[C@@H](O)CN(C)Cc1ccccc1)[C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000736524338 598532491 /nfs/dbraw/zinc/53/24/91/598532491.db2.gz UXVNTSUJFWEPDL-UTKZUKDTSA-N 1 0 394.523 2.743 20 0 GFADRO C[C@H](C(=O)N(CC[NH+](C)C)Cc1ccc(-c2nn[nH]n2)cc1)c1ccccc1F ZINC000735512479 598552736 /nfs/dbraw/zinc/55/27/36/598552736.db2.gz KOIJVBAKCVAORG-HNNXBMFYSA-N 1 0 396.470 2.700 20 0 GFADRO O=C(NCc1ccc(-c2nn[nH]n2)cc1)NC[C@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000738101766 598582914 /nfs/dbraw/zinc/58/29/14/598582914.db2.gz LQCJDYXTGBSJJO-LJQANCHMSA-N 1 0 397.527 2.711 20 0 GFADRO O=C1C[C@H]([NH+]2CCC3(CCCCC3)CC2)C(=O)N1c1ccc(-c2nn[nH]n2)cc1 ZINC000738302414 598618173 /nfs/dbraw/zinc/61/81/73/598618173.db2.gz WILPMPTZWYARMV-KRWDZBQOSA-N 1 0 394.479 2.545 20 0 GFADRO Cc1cccc(NC(=O)[C@H]2CCC[N@H+](Cc3ccc(F)cc3-c3nn[nH]n3)C2)n1 ZINC000737399259 598682572 /nfs/dbraw/zinc/68/25/72/598682572.db2.gz MFCNNQMQBJLNKP-HNNXBMFYSA-N 1 0 395.442 2.560 20 0 GFADRO O[C@@H](COc1ccc(-c2nn[nH]n2)cc1)C[N@@H+]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000738383429 598708393 /nfs/dbraw/zinc/70/83/93/598708393.db2.gz BLUZOEOLWWCVCF-FUHWJXTLSA-N 1 0 399.882 2.749 20 0 GFADRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)N(Cc1ccc(-c2nn[nH]n2)cc1)C(C)C ZINC000736568462 598732407 /nfs/dbraw/zinc/73/24/07/598732407.db2.gz CFTBBNCTXACVLJ-GOSISDBHSA-N 1 0 385.516 2.661 20 0 GFADRO CCS[C@H]1CCCC[N@H+](CC(=O)Nc2oc(C)c(C)c2-c2nn[nH]n2)C1 ZINC000736668311 598748929 /nfs/dbraw/zinc/74/89/29/598748929.db2.gz ZBRMFLQZHPWKDA-ZDUSSCGKSA-N 1 0 378.502 2.623 20 0 GFADRO CN(CC1CC[NH+](C)CC1)C(=O)c1ccccc1-c1ccccc1-c1nn[nH]n1 ZINC000736850031 598754337 /nfs/dbraw/zinc/75/43/37/598754337.db2.gz XRVIMVUEILWBDM-UHFFFAOYSA-N 1 0 390.491 2.948 20 0 GFADRO C[N@@H+]1CCC[C@H]1[C@@H]1CCCN1C(=O)Nc1cc(-c2nn[nH]n2)cn1C(C)(C)C ZINC000736859349 598757994 /nfs/dbraw/zinc/75/79/94/598757994.db2.gz FYYWLNXVBJIATG-GJZGRUSLSA-N 1 0 386.504 2.514 20 0 GFADRO COc1ccc(CC[NH+]2CCC(Oc3ccc(-c4nn[nH]n4)cc3)CC2)cc1 ZINC000737089146 598766795 /nfs/dbraw/zinc/76/67/95/598766795.db2.gz PZQGLEILLRFQKX-UHFFFAOYSA-N 1 0 379.464 2.961 20 0 GFADRO COC(=O)c1ccc(C[NH+]2CCC(Oc3ccc(-c4nn[nH]n4)cc3)CC2)cc1 ZINC000736948478 598766909 /nfs/dbraw/zinc/76/69/09/598766909.db2.gz WBZUDNJNUJAGPZ-UHFFFAOYSA-N 1 0 393.447 2.697 20 0 GFADRO CCCC[N@H+](C)CCNC(=O)N(Cc1ccc(-c2nn[nH]n2)cc1)CC(C)C ZINC000736453076 598783954 /nfs/dbraw/zinc/78/39/54/598783954.db2.gz LQLXYGBEZPMUIB-UHFFFAOYSA-N 1 0 387.532 2.766 20 0 GFADRO C[N@@H+]1CC[C@@H](CNC(=O)c2ccccc2Sc2ccccc2-c2nn[nH]n2)C1 ZINC000736849661 598814340 /nfs/dbraw/zinc/81/43/40/598814340.db2.gz VJWIMMCBVZQBMA-AWEZNQCLSA-N 1 0 394.504 2.699 20 0 GFADRO Cc1cc(C)cc([C@H](O)C[N@@H+]2CCCN(c3ccccc3-c3nn[nH]n3)CC2)c1 ZINC000822196781 599304208 /nfs/dbraw/zinc/30/42/08/599304208.db2.gz WZGKUHKTMCSJQX-OAQYLSRUSA-N 1 0 392.507 2.729 20 0 GFADRO C[C@H](c1ccc(-c2nn[nH]n2)cc1)[NH+]1CCN(Cc2cnn(C(C)(C)C)c2)CC1 ZINC000736198354 599316185 /nfs/dbraw/zinc/31/61/85/599316185.db2.gz SLGKEXBHUJNQPH-MRXNPFEDSA-N 1 0 394.527 2.697 20 0 GFADRO CC(C)Oc1ccc(-c2nn[nH]n2)cc1NC(=O)N[C@H](C)C1CC[NH+](C)CC1 ZINC000735904692 599350974 /nfs/dbraw/zinc/35/09/74/599350974.db2.gz AACOINMQIDKNGG-CYBMUJFWSA-N 1 0 387.488 2.506 20 0 GFADRO C[C@@H]([NH2+]Cc1ccccc1CN1CCOCC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000820438847 599363155 /nfs/dbraw/zinc/36/31/55/599363155.db2.gz XWNRQNBMNPUEES-MRXNPFEDSA-N 1 0 378.480 2.550 20 0 GFADRO C[C@@H](C(=O)Nc1cc(-c2nn[nH]n2)cn1C(C)(C)C)[N@H+](C)Cc1ccccc1 ZINC000735550205 599371336 /nfs/dbraw/zinc/37/13/36/599371336.db2.gz GCOSBRPUFPNZEX-AWEZNQCLSA-N 1 0 381.484 2.882 20 0 GFADRO COc1ccc(OC)c(NC(=O)[C@@H](C)[NH2+][C@H](C)c2cccc(-c3nn[nH]n3)c2)c1 ZINC000821843012 599389001 /nfs/dbraw/zinc/38/90/01/599389001.db2.gz XQROLCKCGMCFBT-CHWSQXEVSA-N 1 0 396.451 2.562 20 0 GFADRO CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[NH2+][C@@H](C)c2cccc(-c3nn[nH]n3)c2)c1C ZINC000819834643 599390696 /nfs/dbraw/zinc/39/06/96/599390696.db2.gz QAEFJHHXHBBJPG-AAEUAGOBSA-N 1 0 380.452 2.936 20 0 GFADRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2cccc(-c3nn[nH]n3)c2)cc1OC ZINC000821831491 599391868 /nfs/dbraw/zinc/39/18/68/599391868.db2.gz AXYIMVDICLVLFK-STQMWFEESA-N 1 0 396.451 2.562 20 0 GFADRO CC[C@@H](C[NH2+]Cc1ccc(OC)c(-c2nn[nH]n2)c1)N1CCc2ccccc2C1 ZINC000820908756 599398891 /nfs/dbraw/zinc/39/88/91/599398891.db2.gz QFXMRUAHUNSGGD-IBGZPJMESA-N 1 0 392.507 2.802 20 0 GFADRO COc1ccc(CNc2ccc(N3CC[NH+](C)CC3)cc2C)cc1-c1nn[nH]n1 ZINC000821821313 599409822 /nfs/dbraw/zinc/40/98/22/599409822.db2.gz FBZQWGUNDNBGAQ-UHFFFAOYSA-N 1 0 393.495 2.548 20 0 GFADRO COc1ccc(C[NH2+][C@H]2CCN([C@H](C)c3ccccc3)C2)cc1-c1nn[nH]n1 ZINC000821804918 599428500 /nfs/dbraw/zinc/42/85/00/599428500.db2.gz QXMCBIKDUPFDBR-QAPCUYQASA-N 1 0 378.480 2.800 20 0 GFADRO Brc1ccccc1CC[NH2+]Cc1cnc2ccc(-c3nn[nH]n3)cn12 ZINC000735368078 599488668 /nfs/dbraw/zinc/48/86/68/599488668.db2.gz FAEVBWXRMGQXHV-UHFFFAOYSA-N 1 0 398.268 2.609 20 0 GFADRO C[C@@H](NC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000736110923 599608343 /nfs/dbraw/zinc/60/83/43/599608343.db2.gz CUWBEVVPFUZTOQ-CRAIPNDOSA-N 1 0 383.500 2.588 20 0 GFADRO C[C@H]1C[NH+](CCC(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)C[C@H](C)S1 ZINC000820753294 599642419 /nfs/dbraw/zinc/64/24/19/599642419.db2.gz XTDCXBNVCHCBOM-QWRGUYRKSA-N 1 0 380.905 2.675 20 0 GFADRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N[C@@H](C)c1cccc(-c2nn[nH]n2)c1 ZINC000820650604 599672394 /nfs/dbraw/zinc/67/23/94/599672394.db2.gz VZZDPPKKOBRFIL-FZKCQIBNSA-N 1 0 385.516 2.593 20 0 GFADRO CC[NH+](CC)CCN(CC(C)C)C(=O)N[C@H](C)c1cccc(-c2nn[nH]n2)c1 ZINC000821189261 599680216 /nfs/dbraw/zinc/68/02/16/599680216.db2.gz JTFZSKXAMUKPNO-MRXNPFEDSA-N 1 0 387.532 2.937 20 0 GFADRO CN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000821612205 599696707 /nfs/dbraw/zinc/69/67/07/599696707.db2.gz MQROKQGKUUHTHN-FQEVSTJZSA-N 1 0 390.491 2.880 20 0 GFADRO Cc1oc(NC(=O)C[N@@H+]2CCC[C@H](Cc3ccccc3)C2)c(-c2nn[nH]n2)c1C ZINC000822548325 607451176 /nfs/dbraw/zinc/45/11/76/607451176.db2.gz IFXDNYQECPJLRZ-QGZVFWFLSA-N 1 0 394.479 2.970 20 0 GFADRO C[C@H]1CCC[C@@](CNC(=O)NC2(c3cccc(-c4nn[nH]n4)c3)CC2)([NH+](C)C)C1 ZINC000824926608 607453210 /nfs/dbraw/zinc/45/32/10/607453210.db2.gz KGBPTOHNJPXWLR-MGPUTAFESA-N 1 0 397.527 2.666 20 0 GFADRO COc1ccc(-c2nn[nH]n2)cc1CN(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000826182028 607470878 /nfs/dbraw/zinc/47/08/78/607470878.db2.gz XHOWXHMELYCIFD-LJQANCHMSA-N 1 0 378.480 2.582 20 0 GFADRO CC[C@@H](O)C[N@H+](CCOc1ccc(-c2nn[nH]n2)cc1OC)Cc1ccccc1 ZINC000825154561 607472835 /nfs/dbraw/zinc/47/28/35/607472835.db2.gz QLYQKTIUYPTCAL-GOSISDBHSA-N 1 0 397.479 2.527 20 0 GFADRO COc1cc(-c2nn[nH]n2)ccc1OCC[N@H+](C)[C@@H](C)[C@H]1Cc2ccccc2O1 ZINC000826175428 607473816 /nfs/dbraw/zinc/47/38/16/607473816.db2.gz DYEKWVQPQLJALC-IFXJQAMLSA-N 1 0 395.463 2.578 20 0 GFADRO CS[C@H]1CCCC[N@@H+]([C@H](C)C(=O)Nc2oc(C)c(C)c2-c2nn[nH]n2)C1 ZINC000826227958 607475577 /nfs/dbraw/zinc/47/55/77/607475577.db2.gz ZZUKNAZRYMPMHT-YPMHNXCESA-N 1 0 378.502 2.621 20 0 GFADRO O=C(c1ccccc1)N1CCC(C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)CC1 ZINC000823493142 607482827 /nfs/dbraw/zinc/48/28/27/607482827.db2.gz FPOKSLGJDKULRG-UHFFFAOYSA-N 1 0 394.454 2.648 20 0 GFADRO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCC[N@@H+]1Cc1ccnc(-c2nn[nH]n2)c1 ZINC000824507221 607492033 /nfs/dbraw/zinc/49/20/33/607492033.db2.gz VQZYJZMOQVEFTB-CJNGLKHVSA-N 1 0 387.488 2.529 20 0 GFADRO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCC[N@@H+]1Cc1ccnc(-c2nn[nH]n2)c1 ZINC000824507222 607492152 /nfs/dbraw/zinc/49/21/52/607492152.db2.gz VQZYJZMOQVEFTB-CZUORRHYSA-N 1 0 387.488 2.529 20 0 GFADRO COC(=O)[C@@H](C)C[N@H+](Cc1ccccc1)Cc1ccc(OC)c(-c2nn[nH]n2)c1 ZINC000826104420 607492652 /nfs/dbraw/zinc/49/26/52/607492652.db2.gz WGGYKDDWXINJSR-HNNXBMFYSA-N 1 0 395.463 2.687 20 0 GFADRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N[C@H](C)c2cccc(-c3nn[nH]n3)c2)C1 ZINC000820093304 607497760 /nfs/dbraw/zinc/49/77/60/607497760.db2.gz VRBKAWRVDRSSTN-HZPDHXFCSA-N 1 0 385.516 2.595 20 0 GFADRO Cc1ccc(-c2nn[nH]n2)cc1NC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000822217314 607507792 /nfs/dbraw/zinc/50/77/92/607507792.db2.gz ARZPJPKMIXKHEF-YJBOKZPZSA-N 1 0 381.484 2.656 20 0 GFADRO COc1ccc(C[N@H+](C)[C@H]2CCCN(Cc3ccccc3)C2)cc1-c1nn[nH]n1 ZINC000826192131 607507857 /nfs/dbraw/zinc/50/78/57/607507857.db2.gz AOGBNVMJZUZCRD-IBGZPJMESA-N 1 0 392.507 2.972 20 0 GFADRO CC[N@H+](Cc1ccc(OC)c(OC)c1)Cc1cc(-c2nn[nH]n2)ccc1OC ZINC000825434807 607511780 /nfs/dbraw/zinc/51/17/80/607511780.db2.gz FXDBNEXPHOSGMM-UHFFFAOYSA-N 1 0 383.452 2.915 20 0 GFADRO C[NH+](C)CC1CCC(NC(=S)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)CC1 ZINC000825859534 607531871 /nfs/dbraw/zinc/53/18/71/607531871.db2.gz GMIZLIYNADUTPQ-UHFFFAOYSA-N 1 0 393.948 2.927 20 0 GFADRO C[C@H]([NH2+]C[C@@H]1CCCN(C(=O)[O-])C1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000739034383 603273813 /nfs/dbraw/zinc/27/38/13/603273813.db2.gz MFVAJVTZRNLBQV-HOTGVXAUSA-N 1 0 378.492 2.618 20 0 GFADRO COc1ccc(-c2nn[nH]n2)cc1C[N@@H+]1CC[C@H](CNc2cccc(C)n2)C1 ZINC000826182233 607630376 /nfs/dbraw/zinc/63/03/76/607630376.db2.gz FAMREXOIRVPNEB-OAHLLOKOSA-N 1 0 379.468 2.513 20 0 GFADRO C[NH+]1CCC(NC(=S)N(Cc2ccccc2-c2nn[nH]n2)C2CCCC2)CC1 ZINC000826029155 607647725 /nfs/dbraw/zinc/64/77/25/607647725.db2.gz PQGKWGXIHJSFSL-UHFFFAOYSA-N 1 0 399.568 2.580 20 0 GFADRO C[C@H]1CC(C)(C)C[C@@](CO)([NH2+]Cc2nnc(-c3cccc(-c4nn[nH]n4)c3)o2)C1 ZINC000820650243 606068503 /nfs/dbraw/zinc/06/85/03/606068503.db2.gz SNKIGVYENHDKFX-RBZFPXEDSA-N 1 0 397.483 2.584 20 0 GFADRO Cc1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3cc(-c4nn[nH]n4)ccc3F)C2)nc1 ZINC000822242346 606070729 /nfs/dbraw/zinc/07/07/29/606070729.db2.gz IVIUKUZQDXJTLA-OAHLLOKOSA-N 1 0 395.442 2.560 20 0 GFADRO CC[N@H+](CCC(=O)Nc1ccccc1-c1nn[nH]n1)[C@@H](C)c1cccc(O)c1 ZINC000821207713 606070788 /nfs/dbraw/zinc/07/07/88/606070788.db2.gz SQHAQBYWMJLHPB-AWEZNQCLSA-N 1 0 380.452 2.984 20 0 GFADRO C[C@H](Oc1ccc(-c2nn[nH]n2)cc1)C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000820529625 606124421 /nfs/dbraw/zinc/12/44/21/606124421.db2.gz QRTRNDYTRGPVBE-HNNXBMFYSA-N 1 0 398.511 2.547 20 0 GFADRO C[NH+](C)CCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)c1cccc2[nH]ccc21 ZINC000821586276 606136336 /nfs/dbraw/zinc/13/63/36/606136336.db2.gz QTNOHSCATRABLL-UHFFFAOYSA-N 1 0 389.463 2.552 20 0 GFADRO CC[NH+](CC)CCO[C@H]1CCN(c2ccc(-c3nn[nH]n3)cc2C(F)(F)F)C1 ZINC000821188875 606140001 /nfs/dbraw/zinc/14/00/01/606140001.db2.gz DRGVTGHPGOGYKU-AWEZNQCLSA-N 1 0 398.433 2.823 20 0 GFADRO c1ccc(C[N@@H+]2CCC[C@@]3(CCN(c4cccc(-c5nn[nH]n5)n4)C3)C2)cc1 ZINC000823779687 606141718 /nfs/dbraw/zinc/14/17/18/606141718.db2.gz GYWYTSOUYXAURB-OAQYLSRUSA-N 1 0 375.480 2.754 20 0 GFADRO O=C1[C@@H]([N@@H+]2CCSC3(CCCCC3)C2)CCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000823503605 606186414 /nfs/dbraw/zinc/18/64/14/606186414.db2.gz HPOCWQWAHJYUOT-KRWDZBQOSA-N 1 0 398.536 2.724 20 0 GFADRO O=C1[C@H]([N@@H+]2CCSC3(CCCCC3)C2)CCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000823503608 606186735 /nfs/dbraw/zinc/18/67/35/606186735.db2.gz HPOCWQWAHJYUOT-QGZVFWFLSA-N 1 0 398.536 2.724 20 0 GFADRO O=C(Nc1ccc(F)c(-c2nn[nH]n2)c1)NC1CCC([NH+]2CCCCC2)CC1 ZINC000823337808 606194721 /nfs/dbraw/zinc/19/47/21/606194721.db2.gz SOJJEJYIUTYAGJ-UHFFFAOYSA-N 1 0 387.463 2.924 20 0 GFADRO O=C(Nc1ccc(F)cc1-c1nn[nH]n1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000823344007 606267203 /nfs/dbraw/zinc/26/72/03/606267203.db2.gz NRVRDKGEDCKBLE-OAHLLOKOSA-N 1 0 380.427 2.857 20 0 GFADRO CC[NH+](CC)CCS[C@H](C)C(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2 ZINC000821198807 606312493 /nfs/dbraw/zinc/31/24/93/606312493.db2.gz WLJPWZIOGAUDGM-LLVKDONJSA-N 1 0 394.570 2.819 20 0 GFADRO C[C@H](CNC(=O)Nc1ccc(F)cc1-c1nn[nH]n1)[N@H+](C)Cc1ccccc1 ZINC000820269731 606358719 /nfs/dbraw/zinc/35/87/19/606358719.db2.gz OYWORHJNHMPOFJ-CYBMUJFWSA-N 1 0 383.431 2.648 20 0 GFADRO COc1ccccc1[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)N1CCCC1 ZINC000821883547 606406279 /nfs/dbraw/zinc/40/62/79/606406279.db2.gz XJSOUORGUWFCIY-INIZCTEOSA-N 1 0 384.509 2.864 20 0 GFADRO CC(C)C[C@H](CNC(=O)OC(C)(C)C)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC000820055223 606417560 /nfs/dbraw/zinc/41/75/60/606417560.db2.gz GARQEUYVTFOCCV-GFCCVEGCSA-N 1 0 380.518 2.957 20 0 GFADRO CO[C@]1(C)C[C@@H]([N@H+](C)Cn2c(C)nnc2-c2cccc(-c3nn[nH]n3)c2)C1(C)C ZINC000821679131 606418175 /nfs/dbraw/zinc/41/81/75/606418175.db2.gz XMXTVNDKJAVZNI-OXQOHEQNSA-N 1 0 396.499 2.527 20 0 GFADRO C[C@H]([NH2+]C1(CNCc2ccc(-c3nn[nH]n3)s2)CCOCC1)c1ccccc1 ZINC000820414002 606421782 /nfs/dbraw/zinc/42/17/82/606421782.db2.gz WOFZWYWRVANAES-HNNXBMFYSA-N 1 0 398.536 2.918 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)C[C@@H]1C ZINC000821254882 606428119 /nfs/dbraw/zinc/42/81/19/606428119.db2.gz PKUMLBQHXLTKPM-AAEUAGOBSA-N 1 0 377.880 2.857 20 0 GFADRO CC1CC[NH+](C[C@@H]2CCCN(c3ccc(Cl)c(-c4nn[nH]n4)n3)C2)CC1 ZINC000820722101 606462174 /nfs/dbraw/zinc/46/21/74/606462174.db2.gz FVPWKRKXNSDITK-AWEZNQCLSA-N 1 0 375.908 2.863 20 0 GFADRO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@H+]2CCC[C@@H]2C)c1-c1nn[nH]n1 ZINC000822015007 606504799 /nfs/dbraw/zinc/50/47/99/606504799.db2.gz BEUYRSDFKKJMIY-AWEZNQCLSA-N 1 0 393.495 2.756 20 0 GFADRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+]2CC[C@@H](C)[C@H]2C)c1-c1nn[nH]n1 ZINC000822015773 606518369 /nfs/dbraw/zinc/51/83/69/606518369.db2.gz OFNXGBVTXGZEKL-TZMCWYRMSA-N 1 0 397.483 2.595 20 0 GFADRO O=C(NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1)c1ccc(-c2nn[nH]n2)s1 ZINC000823175380 606538934 /nfs/dbraw/zinc/53/89/34/606538934.db2.gz HDHPANPVXINOKS-HNNXBMFYSA-N 1 0 382.493 2.713 20 0 GFADRO O=C(N[C@H](C[NH+]1CCCCC1)c1ccccc1)c1ccc(-c2nn[nH]n2)s1 ZINC000823140543 606547698 /nfs/dbraw/zinc/54/76/98/606547698.db2.gz WDXBIFXGQVUBJT-OAHLLOKOSA-N 1 0 382.493 2.885 20 0 GFADRO O=C(N[C@@H](C[NH+]1CCCCC1)c1ccccc1)c1ccc(-c2nn[nH]n2)s1 ZINC000823140542 606548071 /nfs/dbraw/zinc/54/80/71/606548071.db2.gz WDXBIFXGQVUBJT-HNNXBMFYSA-N 1 0 382.493 2.885 20 0 GFADRO O=C(Cc1cccc(-c2nn[nH]n2)c1)NC[C@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000823098204 606557315 /nfs/dbraw/zinc/55/73/15/606557315.db2.gz LIJFEAREXXDZAW-LJQANCHMSA-N 1 0 382.512 2.570 20 0 GFADRO C[C@H]1CCN(C(=O)Cc2cccc(-c3nn[nH]n3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000820717853 606579198 /nfs/dbraw/zinc/57/91/98/606579198.db2.gz XWFFUUJCGFBWBT-KRWDZBQOSA-N 1 0 390.491 2.532 20 0 GFADRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)C1 ZINC000820570511 606672586 /nfs/dbraw/zinc/67/25/86/606672586.db2.gz LEPXTXIVZNAIOK-SWLSCSKDSA-N 1 0 398.417 2.710 20 0 GFADRO CC[N@H+](C)Cc1cccc(CNC(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)c1 ZINC000821164376 606672779 /nfs/dbraw/zinc/67/27/79/606672779.db2.gz DCOJRGFINHSMJS-UHFFFAOYSA-N 1 0 386.406 2.527 20 0 GFADRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(C(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)C1 ZINC000820684033 606675799 /nfs/dbraw/zinc/67/57/99/606675799.db2.gz LFZPBXNYTRLGMD-BZPMIXESSA-N 1 0 390.438 2.622 20 0 GFADRO Cc1ccc(C[NH2+]Cc2cc(-c3nn[nH]n3)cs2)c(OC[C@@H]2CCOC2)c1 ZINC000822238602 606727958 /nfs/dbraw/zinc/72/79/58/606727958.db2.gz NXLUBBLSHCGDJP-CQSZACIVSA-N 1 0 385.493 2.942 20 0 GFADRO CC(C)C[N@@H+]1CC[C@H](CNC(=S)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)C1 ZINC000820093459 606764723 /nfs/dbraw/zinc/76/47/23/606764723.db2.gz XMRHRHNVRUKUDP-GFCCVEGCSA-N 1 0 393.948 2.784 20 0 GFADRO CC(C)(C[NH2+][C@@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1)Cc1cccc(Cl)c1 ZINC000819983673 606769240 /nfs/dbraw/zinc/76/92/40/606769240.db2.gz AOTVGRFCWNSZCA-QGZVFWFLSA-N 1 0 398.898 2.905 20 0 GFADRO CC(C)Oc1ccc(-c2nn[nH]n2)cc1NC(=O)N1CCC([NH+]2CC=CC2)CC1 ZINC000820152065 606774538 /nfs/dbraw/zinc/77/45/38/606774538.db2.gz SHPBDSUXVBCSCE-UHFFFAOYSA-N 1 0 397.483 2.522 20 0 GFADRO CC(C)Oc1ccc(-c2nn[nH]n2)cc1NC(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000820151705 606832457 /nfs/dbraw/zinc/83/24/57/606832457.db2.gz NCKJFVOWWXFMBV-CZUORRHYSA-N 1 0 387.488 2.504 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)[C@@H](C)C1 ZINC000821255029 606834352 /nfs/dbraw/zinc/83/43/52/606834352.db2.gz SDNLJMKOCQIUEU-XHDPSFHLSA-N 1 0 377.880 2.714 20 0 GFADRO CCOc1ccc(CC[NH2+]C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)cc1OCC ZINC000821418048 606844155 /nfs/dbraw/zinc/84/41/55/606844155.db2.gz VICBZRLKCNZYHF-GOSISDBHSA-N 1 0 397.479 2.530 20 0 GFADRO CCN(CC)[C@H](C[NH2+]C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1)c1ccccc1 ZINC000821182742 606846153 /nfs/dbraw/zinc/84/61/53/606846153.db2.gz YKWKUINERDUGAG-WOJBJXKFSA-N 1 0 380.496 2.573 20 0 GFADRO O[C@@H](C[N@@H+](Cc1cccs1)C[C@@H]1CCCO1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823672564 606846561 /nfs/dbraw/zinc/84/65/61/606846561.db2.gz FMPHKCLQSRXCPL-WMZOPIPTSA-N 1 0 385.493 2.643 20 0 GFADRO Cc1nnc(N2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)c(-c2nn[nH]n2)c1C ZINC000822510058 606878291 /nfs/dbraw/zinc/87/82/91/606878291.db2.gz IFNITSAFIIIISV-AWEZNQCLSA-N 1 0 384.532 2.754 20 0 GFADRO COc1ccc([C@@H]2CCC[N@@H+]2C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)cc1OC ZINC000821787778 606884363 /nfs/dbraw/zinc/88/43/63/606884363.db2.gz ZVYILOOFUZLYAS-ROUUACIJSA-N 1 0 395.463 2.754 20 0 GFADRO CC1CCC([N@H+](C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)C[C@H]2CCCO2)CC1 ZINC000820690664 606901926 /nfs/dbraw/zinc/90/19/26/606901926.db2.gz PUPFXGGJODCIEJ-AVMZVFHNSA-N 1 0 385.512 2.960 20 0 GFADRO CCc1nnc(NC[C@H](c2ccco2)[NH+]2CCCC2)c(-c2nn[nH]n2)c1CC ZINC000821535841 606909716 /nfs/dbraw/zinc/90/97/16/606909716.db2.gz QOBUNMZCQIMRGU-OAHLLOKOSA-N 1 0 382.472 2.624 20 0 GFADRO O=C(CC[N@@H+]1CCOC2(C1)CCCCCC2)Nc1sccc1-c1nn[nH]n1 ZINC000822969360 606918122 /nfs/dbraw/zinc/91/81/22/606918122.db2.gz MSDKKVSDOOFUQX-UHFFFAOYSA-N 1 0 390.513 2.682 20 0 GFADRO CC(C)(C)OC(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC000819939997 606965304 /nfs/dbraw/zinc/96/53/04/606965304.db2.gz NEFQEDONPNTOET-CQSZACIVSA-N 1 0 390.463 2.885 20 0 GFADRO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC000820384355 606983403 /nfs/dbraw/zinc/98/34/03/606983403.db2.gz CICLJUSZQYLRRY-RHSMWYFYSA-N 1 0 386.500 2.992 20 0 GFADRO c1ccc(C[N@@H+]2CCC[C@H]3CN(c4ccc(-c5nn[nH]n5)cn4)CC[C@@H]32)cc1 ZINC000823779937 607031730 /nfs/dbraw/zinc/03/17/30/607031730.db2.gz LPKKTNWNHLDKKV-OALUTQOASA-N 1 0 375.480 2.753 20 0 GFADRO c1cc(N2CCC([NH2+]C3CCC4(CCOCC4)CC3)CC2)ncc1-c1nn[nH]n1 ZINC000823751982 607046803 /nfs/dbraw/zinc/04/68/03/607046803.db2.gz VKEDVGNOUHUIDH-UHFFFAOYSA-N 1 0 397.527 2.560 20 0 GFADRO O=C(NCc1ccccc1)C1CC[NH+](Cc2cc(F)ccc2-c2nn[nH]n2)CC1 ZINC000823261740 607057159 /nfs/dbraw/zinc/05/71/59/607057159.db2.gz RNLYCGOGJQITSW-UHFFFAOYSA-N 1 0 394.454 2.534 20 0 GFADRO O=C(NC1CC[NH+](Cc2cc(F)ccc2-c2nn[nH]n2)CC1)C1CCCCC1 ZINC000823155684 607061536 /nfs/dbraw/zinc/06/15/36/607061536.db2.gz WSRXSXBVVXKAKQ-UHFFFAOYSA-N 1 0 386.475 2.667 20 0 GFADRO COc1cc(-c2nn[nH]n2)ccc1OCC[N@H+](C)[C@@H](C)Cc1ccc(O)cc1 ZINC000821701079 607078546 /nfs/dbraw/zinc/07/85/46/607078546.db2.gz APGNHFABTVHIFO-AWEZNQCLSA-N 1 0 383.452 2.523 20 0 GFADRO C[NH+](C)CCN(Cc1ccccc1)c1nc(C(F)(F)F)ccc1-c1nn[nH]n1 ZINC000821586192 607114344 /nfs/dbraw/zinc/11/43/44/607114344.db2.gz NGQOPCAWWNXASH-UHFFFAOYSA-N 1 0 391.401 2.849 20 0 GFADRO Cc1cccc2ncnc(N(CC[NH+](C)C)Cc3ccc(-c4nn[nH]n4)cc3)c12 ZINC000822340674 607114804 /nfs/dbraw/zinc/11/48/04/607114804.db2.gz BYGVFHLFSUKJIV-UHFFFAOYSA-N 1 0 388.479 2.687 20 0 GFADRO CCc1oc(C(=O)N2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)cc1C ZINC000821558642 607152737 /nfs/dbraw/zinc/15/27/37/607152737.db2.gz CHFWKWKQTJPMKO-UHFFFAOYSA-N 1 0 394.479 2.679 20 0 GFADRO CC(C)[C@H](C(=O)Nc1cccc(OCc2cccc(-c3nn[nH]n3)c2)c1)[NH+](C)C ZINC000735691805 607154964 /nfs/dbraw/zinc/15/49/64/607154964.db2.gz PTVSNMMAGDUTKP-LJQANCHMSA-N 1 0 394.479 2.970 20 0 GFADRO FC(F)(F)c1ccc(N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)c(-c2nn[nH]n2)c1 ZINC000822724082 607174719 /nfs/dbraw/zinc/17/47/19/607174719.db2.gz YLSNLCBJUGZSLL-HZPDHXFCSA-N 1 0 396.417 2.941 20 0 GFADRO COc1cc(-c2nn[nH]n2)ccc1OCC[N@@H+]1CCC[C@H](Nc2ccccc2)C1 ZINC000821701930 607177605 /nfs/dbraw/zinc/17/76/05/607177605.db2.gz BAMFGDFUDCBKAY-SFHVURJKSA-N 1 0 394.479 2.831 20 0 GFADRO CCc1cc(C(=O)N(CC[NH+](C)C)Cc2cccc(-c3nn[nH]n3)c2)oc1CC ZINC000821470031 607192517 /nfs/dbraw/zinc/19/25/17/607192517.db2.gz LAXDBOGFGGNGQX-UHFFFAOYSA-N 1 0 396.495 2.789 20 0 GFADRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)Nc1ccc(-c2nn[nH]n2)cc1Cl ZINC000820697915 607202601 /nfs/dbraw/zinc/20/26/01/607202601.db2.gz NVDXRDYRKINTQI-VXGBXAGGSA-N 1 0 377.880 2.905 20 0 GFADRO CC1(c2ccccc2)CC[NH+](CC(=O)NCc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000824844354 607800626 /nfs/dbraw/zinc/80/06/26/607800626.db2.gz WJWXFWLILCKOOC-UHFFFAOYSA-N 1 0 390.491 2.537 20 0 GFADRO CC(C)C[N@H+](CCS(=O)(=O)c1cccc(-c2nn[nH]n2)c1)C1CCCC1 ZINC000824255525 607827755 /nfs/dbraw/zinc/82/77/55/607827755.db2.gz MWSZFGFXFHXWPW-UHFFFAOYSA-N 1 0 377.514 2.541 20 0 GFADRO CC(C)(C)[C@@H]1CCC[N@H+](CCS(=O)(=O)c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000824079648 607828689 /nfs/dbraw/zinc/82/86/89/607828689.db2.gz QXOKXIBXADVOEB-MRXNPFEDSA-N 1 0 391.541 2.789 20 0 GFADRO CC(C)[NH+]1CCC(NC(=O)c2c(Cl)cc(-c3nn[nH]n3)cc2Cl)CC1 ZINC000824296441 607833097 /nfs/dbraw/zinc/83/30/97/607833097.db2.gz HHXJTQXDNRKBNU-UHFFFAOYSA-N 1 0 383.283 2.776 20 0 GFADRO CC[C@H]([NH2+]Cc1ccccc1-c1nn[nH]n1)c1ccccc1OCC(=O)N(C)C ZINC000825148413 607908459 /nfs/dbraw/zinc/90/84/59/607908459.db2.gz QNYZCHHMQNGJOU-SFHVURJKSA-N 1 0 394.479 2.575 20 0 GFADRO c1nc2ccccc2n1C[C@@H]1CCC[N@H+]1CCOc1ccc(-c2nn[nH]n2)cc1 ZINC000826524507 607958828 /nfs/dbraw/zinc/95/88/28/607958828.db2.gz XRVWUVGMBVGDIG-KRWDZBQOSA-N 1 0 389.463 2.760 20 0 GFADRO c1ccc(CSCCC[NH+]2CCN(c3cc(-c4nn[nH]n4)ccn3)CC2)cc1 ZINC000826522109 608061712 /nfs/dbraw/zinc/06/17/12/608061712.db2.gz MEZPTWXZWIKRFU-UHFFFAOYSA-N 1 0 395.536 2.707 20 0 GFADRO CC(C)[NH+](CCS[C@H]1CCN(c2sccc2-c2nn[nH]n2)C1=O)C(C)C ZINC000824293591 608077625 /nfs/dbraw/zinc/07/76/25/608077625.db2.gz SOZRWYBSVFEOIU-AWEZNQCLSA-N 1 0 394.570 2.886 20 0 GFADRO O=C1[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CCN1c1ccc(Cl)c(F)c1 ZINC000826477133 608110606 /nfs/dbraw/zinc/11/06/06/608110606.db2.gz WJSSJXVWJGEOJK-INIZCTEOSA-N 1 0 386.818 2.554 20 0 GFADRO Cc1cccc([C@H]2CC[N@@H+]([C@@H](C)C(=O)Nc3ccccc3-c3nn[nH]n3)C2)c1 ZINC000826297610 608127522 /nfs/dbraw/zinc/12/75/22/608127522.db2.gz MRKQPIJVYKGQRA-RDJZCZTQSA-N 1 0 376.464 2.992 20 0 GFADRO Cc1cc(C)cc([C@H]2CC[N@H+](CC(=O)NCc3ccc(-c4nn[nH]n4)cc3)C2)c1 ZINC000826264186 608128467 /nfs/dbraw/zinc/12/84/67/608128467.db2.gz FOCFFMHLLCNOQV-IBGZPJMESA-N 1 0 390.491 2.589 20 0 GFADRO CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3-c3nn[nH]n3)C[C@@H]21 ZINC000824109901 608129758 /nfs/dbraw/zinc/12/97/58/608129758.db2.gz YOKPNYNUTSWVHE-RYQLBKOJSA-N 1 0 398.511 2.992 20 0 GFADRO CC(C)(C)OC(=O)N1CCC[C@@](C)(C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC000824823031 608135606 /nfs/dbraw/zinc/13/56/06/608135606.db2.gz JBVXPFSWYNGZHA-FQEVSTJZSA-N 1 0 386.500 2.994 20 0 GFADRO CN(c1snc(Cl)c1-c1nn[nH]n1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000826010461 608190626 /nfs/dbraw/zinc/19/06/26/608190626.db2.gz JYTAXWXIGPMBNN-LBPRGKRZSA-N 1 0 375.889 2.687 20 0 GFADRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)c1cccc(Nc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000824858039 608202129 /nfs/dbraw/zinc/20/21/29/608202129.db2.gz HBTLDLMURYTZNO-HUUCEWRRSA-N 1 0 391.479 2.775 20 0 GFADRO C[NH+](C)C1CN(C(=O)c2ccc(Oc3ccccc3-c3nn[nH]n3)c(Cl)c2)C1 ZINC000825855863 608209377 /nfs/dbraw/zinc/20/93/77/608209377.db2.gz LDTPRQMMZLTVSL-UHFFFAOYSA-N 1 0 398.854 2.698 20 0 GFADRO CC[N@@H+]1C[C@H](C)N(C(=O)Nc2cc(-c3nn[nH]n3)ccc2OC(C)C)C[C@@H]1C ZINC000825443266 608269033 /nfs/dbraw/zinc/26/90/33/608269033.db2.gz BAVTWDCVKTWPOG-KBPBESRZSA-N 1 0 387.488 2.600 20 0 GFADRO CC[N@@H+]1C[C@H](C)N(C(=O)Nc2cc(-c3nn[nH]n3)ccc2OC(C)C)C[C@H]1C ZINC000825443267 608269101 /nfs/dbraw/zinc/26/91/01/608269101.db2.gz BAVTWDCVKTWPOG-KGLIPLIRSA-N 1 0 387.488 2.600 20 0 GFADRO COc1cc(C)c([C@H](C)[NH2+]CCOc2ccc(-c3nn[nH]n3)cc2)cc1OC ZINC000826178073 608283256 /nfs/dbraw/zinc/28/32/56/608283256.db2.gz IVXGDAYAVSSVKY-AWEZNQCLSA-N 1 0 383.452 2.922 20 0 GFADRO C[C@@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)Cc1cccc(-c2nn[nH]n2)c1 ZINC000824970416 608311231 /nfs/dbraw/zinc/31/12/31/608311231.db2.gz XCVLUCZXSZXLTI-DLBZAZTESA-N 1 0 390.491 2.531 20 0 GFADRO CCC(CC)[N@H+](CCOC)Cc1c(-c2nn[nH]n2)c(C)nn1-c1ccccc1 ZINC000825106364 608311389 /nfs/dbraw/zinc/31/13/89/608311389.db2.gz ASRATCUEDBWMGC-UHFFFAOYSA-N 1 0 383.500 2.998 20 0 GFADRO C[N@H+](Cc1ccccc1-c1nn[nH]n1)[C@H](CO)c1cccc(Br)c1 ZINC000825980529 608380932 /nfs/dbraw/zinc/38/09/32/608380932.db2.gz CVEFXRLMAXMYHY-MRXNPFEDSA-N 1 0 388.269 2.795 20 0 GFADRO C[C@H](CNC(=O)N1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1)[NH+]1CCCCC1 ZINC000824420307 608417780 /nfs/dbraw/zinc/41/77/80/608417780.db2.gz HLTZEXLNLCXRMU-MRXNPFEDSA-N 1 0 395.511 2.540 20 0 GFADRO C[C@H]([NH2+]CC(=O)Nc1sccc1-c1nn[nH]n1)c1ccc(OC(F)F)cc1 ZINC000824562031 608445584 /nfs/dbraw/zinc/44/55/84/608445584.db2.gz BSHKIBMLVKTCET-VIFPVBQESA-N 1 0 394.407 2.819 20 0 GFADRO CC(C)Oc1ccccc1[C@@H](C)[NH2+]C[C@@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000824334482 608453082 /nfs/dbraw/zinc/45/30/82/608453082.db2.gz VNHGLGFKBNSARG-NVXWUHKLSA-N 1 0 397.479 2.744 20 0 GFADRO CC(C)Oc1cccc([C@H](C)[NH2+]CC(=O)NCc2cccc(-c3nn[nH]n3)c2)c1 ZINC000824334265 608454094 /nfs/dbraw/zinc/45/40/94/608454094.db2.gz TYPCHVBMGDNPHN-HNNXBMFYSA-N 1 0 394.479 2.621 20 0 GFADRO CCN(Cc1cccc(F)c1)C(=O)C[NH2+][C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000825435069 608462585 /nfs/dbraw/zinc/46/25/85/608462585.db2.gz LFIDJECTYBMKLW-AWEZNQCLSA-N 1 0 382.443 2.705 20 0 GFADRO C[C@@H]([NH2+]CC(=O)NCc1ccc(-c2nn[nH]n2)cc1)c1ccc(F)c(Cl)c1 ZINC000824564883 608471195 /nfs/dbraw/zinc/47/11/95/608471195.db2.gz XPTXGGGZRVDJSQ-LLVKDONJSA-N 1 0 388.834 2.626 20 0 GFADRO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1ccc(-c2nn[nH]n2)cc1Cl ZINC000825219803 608495258 /nfs/dbraw/zinc/49/52/58/608495258.db2.gz MMNNYSIFEYXZRG-OLZOCXBDSA-N 1 0 375.864 2.611 20 0 GFADRO C[C@@H]([NH2+][C@@H]1CCCc2cc(-c3nn[nH]n3)ccc21)C(=O)NCc1ccccc1 ZINC000824547656 608505308 /nfs/dbraw/zinc/50/53/08/608505308.db2.gz REGPDCBEKLGFLP-AUUYWEPGSA-N 1 0 376.464 2.539 20 0 GFADRO CN(C(=O)CC[NH2+][C@H]1CCCc2cc(-c3nn[nH]n3)ccc21)c1ccccc1 ZINC000825817739 608505406 /nfs/dbraw/zinc/50/54/06/608505406.db2.gz NYSARMIYUFDPRA-IBGZPJMESA-N 1 0 376.464 2.887 20 0 GFADRO c1ccc(N2CCOCC2)c(C[NH2+][C@H]2CCCc3cc(-c4nn[nH]n4)ccc32)c1 ZINC000826522063 608506701 /nfs/dbraw/zinc/50/67/01/608506701.db2.gz KWMGTPLLYFWVRM-FQEVSTJZSA-N 1 0 390.491 2.871 20 0 GFADRO CC(C)(C)c1ccc(C[NH+]2CCN(c3ncccc3-c3nn[nH]n3)CC2)s1 ZINC000824135246 608508741 /nfs/dbraw/zinc/50/87/41/608508741.db2.gz CNGJSYXBYQGTBK-UHFFFAOYSA-N 1 0 383.525 2.943 20 0 GFADRO Cc1ccccc1[C@@H]([NH2+]CC(=O)NCc1ccc(-c2nn[nH]n2)cc1)C(C)C ZINC000826305718 608519959 /nfs/dbraw/zinc/51/99/59/608519959.db2.gz GVIWWELGEADEGD-FQEVSTJZSA-N 1 0 378.480 2.778 20 0 GFADRO Cc1ccc(N2CCC[C@@H]([NH2+][C@H]3CCCc4cc(-c5nn[nH]n5)ccc43)C2)nn1 ZINC000826290526 608520112 /nfs/dbraw/zinc/52/01/12/608520112.db2.gz PENCNYWYKAFBMO-MJGOQNOKSA-N 1 0 390.495 2.601 20 0 GFADRO COc1cc(C[N@H+](C)Cc2ccc(-c3nn[nH]n3)cc2)ccc1OC(=O)C1CC1 ZINC000826178809 608526486 /nfs/dbraw/zinc/52/64/86/608526486.db2.gz NGLQUNCJHVOJPR-UHFFFAOYSA-N 1 0 393.447 2.823 20 0 GFADRO O[C@H](C[NH2+]C1(c2cccc(Cl)c2)CC1)COc1ccc(-c2nn[nH]n2)cc1 ZINC000826503173 608537375 /nfs/dbraw/zinc/53/73/75/608537375.db2.gz RYLQEFOOAUXBCV-MRXNPFEDSA-N 1 0 385.855 2.539 20 0 GFADRO CC[C@H]1Oc2cc([C@H](C)[NH2+]Cc3cc(-c4nn[nH]n4)ccc3F)ccc2NC1=O ZINC000825219102 608538374 /nfs/dbraw/zinc/53/83/74/608538374.db2.gz HNCPXADBBVEEAU-APPDUMDISA-N 1 0 396.426 2.966 20 0 GFADRO COC[C@@H]([NH2+]CCOc1ccccc1-c1nn[nH]n1)c1ccc(F)c(F)c1 ZINC000826150461 608552268 /nfs/dbraw/zinc/55/22/68/608552268.db2.gz FDXIIGNVXMDVDE-MRXNPFEDSA-N 1 0 375.379 2.501 20 0 GFADRO CN1C(=O)C[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)[C@H]1c1ccc(Cl)cc1 ZINC000826010099 608568846 /nfs/dbraw/zinc/56/88/46/608568846.db2.gz CNARMQDJIOBJGI-SJLPKXTDSA-N 1 0 382.855 2.582 20 0 GFADRO CC(C)(C)c1n[nH]cc1C[NH+]1CCC(Oc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000824137019 608602669 /nfs/dbraw/zinc/60/26/69/608602669.db2.gz WERIRTZHUZTNPY-UHFFFAOYSA-N 1 0 381.484 2.931 20 0 GFADRO c1cc2c(c(C[NH+]3CCC(Oc4cccc(-c5nn[nH]n5)c4)CC3)c1)OCO2 ZINC000826517892 608604334 /nfs/dbraw/zinc/60/43/34/608604334.db2.gz SHBVSKBERRCXSD-UHFFFAOYSA-N 1 0 379.420 2.639 20 0 GFADRO C[NH+](C)[C@@H]1CCCN(Cc2cccc(OCc3ccccc3-c3nn[nH]n3)c2)C1 ZINC000825856571 608674303 /nfs/dbraw/zinc/67/43/03/608674303.db2.gz XIVMFMSBKCZKSS-LJQANCHMSA-N 1 0 392.507 2.972 20 0 GFADRO COCC[N@H+](CCCOc1ccc(F)cc1)Cc1cc(-c2nn[nH]n2)cs1 ZINC000826158569 608690704 /nfs/dbraw/zinc/69/07/04/608690704.db2.gz URNHTZXTEKFDNB-UHFFFAOYSA-N 1 0 391.472 2.985 20 0 GFADRO CC(=O)N1CCCCC[C@H]1C1CC[NH+](Cc2ccc(-c3nn[nH]n3)s2)CC1 ZINC000823981929 608696986 /nfs/dbraw/zinc/69/69/86/608696986.db2.gz SVKSIGQHTSAYKW-KRWDZBQOSA-N 1 0 388.541 2.931 20 0 GFADRO c1nc2ccc(-c3nn[nH]n3)cn2c1C[N@@H+]1CCS[C@@H](c2ccccc2)C1 ZINC000826520611 608706220 /nfs/dbraw/zinc/70/62/20/608706220.db2.gz OBVSMHSDTCTDST-QGZVFWFLSA-N 1 0 377.477 2.805 20 0 GFADRO c1nc2ccc(-c3nn[nH]n3)cn2c1C[N@H+]1CC[C@H](COCc2ccccc2)C1 ZINC000826521805 608730166 /nfs/dbraw/zinc/73/01/66/608730166.db2.gz ZFDCXNIDXITIFL-KRWDZBQOSA-N 1 0 389.463 2.553 20 0 GFADRO CC(C)C[C@@H]([NH2+]Cc1cc(-c2nn[nH]n2)cs1)C(=O)Nc1nccs1 ZINC000824237900 608758782 /nfs/dbraw/zinc/75/87/82/608758782.db2.gz WLCXOTHWPGRGCK-GFCCVEGCSA-N 1 0 377.499 2.528 20 0 GFADRO c1ccc(C[N@@H+]2CCC[C@@H]3CN(c4cnccc4-c4nn[nH]n4)CC[C@H]32)cc1 ZINC000826521437 608795157 /nfs/dbraw/zinc/79/51/57/608795157.db2.gz MFMQFHHRRDBRRW-IEBWSBKVSA-N 1 0 375.480 2.753 20 0 GFADRO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1ccc(-c2nn[nH]n2)c(C(F)(F)F)c1 ZINC000825000138 608812655 /nfs/dbraw/zinc/81/26/55/608812655.db2.gz MXBHFXWKMWTIJO-JQWIXIFHSA-N 1 0 395.389 2.586 20 0 GFADRO O[C@@]1(Cc2cccc(Cl)c2)CC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC000826505689 608858924 /nfs/dbraw/zinc/85/89/24/608858924.db2.gz CHRVBZVYLHTLPE-QGZVFWFLSA-N 1 0 375.885 2.761 20 0 GFADRO C[C@@H]([NH2+][C@@H](C)c1ccc(-c2nn[nH]n2)c(F)c1)c1ccc(S(C)(=O)=O)cc1 ZINC000824533102 609136505 /nfs/dbraw/zinc/13/65/05/609136505.db2.gz YZOJPTGBYHBPRR-NEPJUHHUSA-N 1 0 389.456 2.821 20 0 GFADRO c1sc(C[N@H+]2CC=C(c3ccc4c(c3)OCCO4)CC2)cc1-c1nn[nH]n1 ZINC000823867724 609172713 /nfs/dbraw/zinc/17/27/13/609172713.db2.gz DZGCKVCHRZODAW-UHFFFAOYSA-N 1 0 381.461 2.989 20 0 GFADRO CC(C)c1nnc2n1C[C@@H]([NH2+][C@@H]1CCCc3cc(-c4nn[nH]n4)ccc31)CC2 ZINC000824364497 609184552 /nfs/dbraw/zinc/18/45/52/609184552.db2.gz JBHXYOFKVDTDGI-DOTOQJQBSA-N 1 0 378.484 2.564 20 0 GFADRO O=C(Nc1cccc(C[NH+]2CCCCC2)c1)[C@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000826456475 609197002 /nfs/dbraw/zinc/19/70/02/609197002.db2.gz GNGXXSZFQLASSN-LJQANCHMSA-N 1 0 392.463 2.525 20 0 GFADRO CC(C)C[C@@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)[NH2+][C@@H](C)c1ccccc1 ZINC000824235849 609211073 /nfs/dbraw/zinc/21/10/73/609211073.db2.gz KYSPJBDCHGMDPI-YOEHRIQHSA-N 1 0 381.484 2.690 20 0 GFADRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2ccc(Cl)c(-c3nn[nH]n3)c2)C1 ZINC000824877603 609288019 /nfs/dbraw/zinc/28/80/19/609288019.db2.gz ZDSQLIXYDHHXRF-CHWSQXEVSA-N 1 0 376.892 2.618 20 0 GFADRO c1cc(C[N@@H+]2CCC[C@@H](c3nnc(C4CCCCC4)[nH]3)C2)cc(-c2nn[nH]n2)n1 ZINC000826516020 609294398 /nfs/dbraw/zinc/29/43/98/609294398.db2.gz UOBATIFAWYZBMU-MRXNPFEDSA-N 1 0 393.499 2.807 20 0 GFADRO C[C@@H](NC(=O)c1ccc(Cl)c(-c2nn[nH]n2)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000824521275 609317918 /nfs/dbraw/zinc/31/79/18/609317918.db2.gz JLEVDLPCQWVOCF-TZMCWYRMSA-N 1 0 388.903 2.903 20 0 GFADRO C[C@H]([NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824546237 609334172 /nfs/dbraw/zinc/33/41/72/609334172.db2.gz HSCHVKRHUFDIRT-AAEUAGOBSA-N 1 0 376.436 2.666 20 0 GFADRO Cn1cc(C[NH2+]CC2(CCO)CCCCC2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826361323 609341952 /nfs/dbraw/zinc/34/19/52/609341952.db2.gz STGKZGCZAUENHC-UHFFFAOYSA-N 1 0 395.511 2.690 20 0 GFADRO Cn1cc(C[NH2+][C@@H]2CCO[C@@H](C(C)(C)C)C2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826361342 609343680 /nfs/dbraw/zinc/34/36/80/609343680.db2.gz UDGARZQAECBXBE-QZTJIDSGSA-N 1 0 395.511 2.951 20 0 GFADRO Brc1cc(-c2nn[nH]n2)ccc1CN1CCC[C@H]1C[NH+]1CCCC1 ZINC000823821075 609357906 /nfs/dbraw/zinc/35/79/06/609357906.db2.gz OMXUNHDXOBOKSZ-HNNXBMFYSA-N 1 0 391.317 2.689 20 0 GFADRO CN(C[C@H]1CC[N@H+](C)C1)C(=O)c1ccccc1Oc1ccccc1-c1nn[nH]n1 ZINC000826022447 609381071 /nfs/dbraw/zinc/38/10/71/609381071.db2.gz NHUWWDOTBDCRDR-HNNXBMFYSA-N 1 0 392.463 2.683 20 0 GFADRO OCCCc1cccc(NC2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)c1 ZINC000826509728 609410906 /nfs/dbraw/zinc/41/09/06/609410906.db2.gz HHAXJQNWYKKZLV-UHFFFAOYSA-N 1 0 392.507 2.868 20 0 GFADRO Cc1cccc2c1CC[C@@H]2[NH2+][C@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000826305432 609414951 /nfs/dbraw/zinc/41/49/51/609414951.db2.gz WNFMIORAIICAOA-PMACEKPBSA-N 1 0 388.475 2.948 20 0 GFADRO Cc1cccc2c1CC[C@H]2[NH2+][C@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000826305433 609415061 /nfs/dbraw/zinc/41/50/61/609415061.db2.gz WNFMIORAIICAOA-UXHICEINSA-N 1 0 388.475 2.948 20 0 GFADRO O=C1[C@H]([NH2+]C[C@@H]2C[C@H]2c2ccccc2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476158 609415374 /nfs/dbraw/zinc/41/53/74/609415374.db2.gz BSNUXXPMHHJHDC-YSIASYRMSA-N 1 0 388.475 2.755 20 0 GFADRO C[C@@H](NC(=O)Nc1ccc(-c2nn[nH]n2)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000824505230 609447786 /nfs/dbraw/zinc/44/77/86/609447786.db2.gz ABZIEVKLWQISIY-QAPCUYQASA-N 1 0 391.479 2.899 20 0 GFADRO C[C@@H]([NH2+][C@@H](C)c1ccc(-c2cccc(-c3nn[nH]n3)c2)cc1)C(=O)NC1CC1 ZINC000824532680 609449663 /nfs/dbraw/zinc/44/96/63/609449663.db2.gz WJWWLJWIOPETJK-UONOGXRCSA-N 1 0 376.464 2.851 20 0 GFADRO CCOc1ccc(-c2nn[nH]n2)cc1NCc1ccc(OCC[NH+](C)C)cc1 ZINC000825632260 609477509 /nfs/dbraw/zinc/47/75/09/609477509.db2.gz NIMKFHMWBGLPFG-UHFFFAOYSA-N 1 0 382.468 2.818 20 0 GFADRO O=C([C@@H]1CC12CC[NH+](Cc1ccc(-c3nn[nH]n3)s1)CC2)N1CCCCC1 ZINC000826398299 609495479 /nfs/dbraw/zinc/49/54/79/609495479.db2.gz UGJFCPKJGDENIR-HNNXBMFYSA-N 1 0 386.525 2.543 20 0 GFADRO Cc1ccc(O[C@H](C)C(=O)Nc2ccn(CC[NH+](C)C)n2)c(Br)c1 ZINC000523656249 650637007 /nfs/dbraw/zinc/63/70/07/650637007.db2.gz ZNMXFDPCKGHBCJ-CYBMUJFWSA-N 1 0 395.301 2.922 20 0 GFADRO C[NH+](C)[C@@]1(CNC(=O)Nc2nnc(/C=C\c3ccco3)s2)CCSC1 ZINC000486889894 650724869 /nfs/dbraw/zinc/72/48/69/650724869.db2.gz BWJOMCUHHZBJLQ-OGZRUICASA-N 1 0 379.511 2.860 20 0 GFADRO CN(C[C@H]1CCC[N@@H+]1C)CN1CC[C@H](c2cccc(Br)c2)C1=O ZINC000817374531 660192378 /nfs/dbraw/zinc/19/23/78/660192378.db2.gz LKTRUDPVBHPWGK-IAGOWNOFSA-N 1 0 380.330 2.749 20 0 GFADRO CC(C)[NH+](CCCNC(=O)c1cccc(S(=O)(=O)C(F)F)c1)C(C)C ZINC000817540582 660199656 /nfs/dbraw/zinc/19/96/56/660199656.db2.gz KSGKLWKSNITXGT-UHFFFAOYSA-N 1 0 376.469 2.922 20 0 GFADRO CN(C[C@H](O)c1cccc(Br)c1)C(=O)NC1CCC([NH+](C)C)CC1 ZINC000817791765 660208688 /nfs/dbraw/zinc/20/86/88/660208688.db2.gz JTBKYAPESPMMRB-JCYILVPMSA-N 1 0 398.345 2.997 20 0 GFADRO COc1cc([C@H](C)N[C@H](C)[C@@H]2CCC[NH2+]C2)ccc1S(=O)(=O)C(F)F ZINC000817946590 660212458 /nfs/dbraw/zinc/21/24/58/660212458.db2.gz AEHFENOGIFSADK-OUCADQQQSA-N 1 0 376.469 2.730 20 0 GFADRO O=C(CCC[S@@](=O)c1ccc(Br)cc1)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000818018981 660213934 /nfs/dbraw/zinc/21/39/34/660213934.db2.gz WYHILNCPPNALIO-UZUQRXQVSA-N 1 0 399.354 2.691 20 0 GFADRO O=C(CNC(=O)c1sc2ccccc2c1Cl)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000818018476 660213945 /nfs/dbraw/zinc/21/39/45/660213945.db2.gz AQIPBUHFZQGINV-GOSISDBHSA-N 1 0 377.897 2.639 20 0 GFADRO O=C(CNC(=O)c1sc2ccccc2c1Cl)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000818018481 660213950 /nfs/dbraw/zinc/21/39/50/660213950.db2.gz AQIPBUHFZQGINV-SFHVURJKSA-N 1 0 377.897 2.639 20 0 GFADRO CCOC(=O)C(F)(F)[C@@H]1CC[C@H]([NH2+][C@@H](C)c2ncc(C(=O)OC)s2)C1 ZINC000818357717 660224389 /nfs/dbraw/zinc/22/43/89/660224389.db2.gz JNXDAOUJWIYUHH-AXFHLTTASA-N 1 0 376.425 2.947 20 0 GFADRO O[C@H]1C[NH2+][C@@H](c2nc(-c3cc(Br)cc(C(F)(F)F)c3)no2)C1 ZINC000818938561 660236028 /nfs/dbraw/zinc/23/60/28/660236028.db2.gz UVGZINJDHQTDAU-NXEZZACHSA-N 1 0 378.148 2.913 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)C[NH2+]C[C@@H](O)c1ccc(F)cn1 ZINC000818942202 660236039 /nfs/dbraw/zinc/23/60/39/660236039.db2.gz GZXGEWNFKPEINS-OAHLLOKOSA-N 1 0 382.233 2.553 20 0 GFADRO CC(C)NS(=O)(=O)c1cccc(C[NH2+]C[C@H](O)c2cccc(Cl)c2)c1 ZINC000818947307 660236723 /nfs/dbraw/zinc/23/67/23/660236723.db2.gz BJGMLTZGIDAYBR-SFHVURJKSA-N 1 0 382.913 2.850 20 0 GFADRO O[C@@H](C[NH2+]Cc1cc(Br)c2c(c1)OCCO2)c1ccc(F)cn1 ZINC000818979293 660240813 /nfs/dbraw/zinc/24/08/13/660240813.db2.gz JUKYVDIPLGASDB-AWEZNQCLSA-N 1 0 383.217 2.578 20 0 GFADRO O=C1C[C@@H]([NH2+]C[C@H](O)c2cccc(Br)c2)CN1c1ccccc1 ZINC000818979989 660240856 /nfs/dbraw/zinc/24/08/56/660240856.db2.gz YMBNSCXMSDKHHT-WBVHZDCISA-N 1 0 375.266 2.878 20 0 GFADRO O=C1[C@H]([NH2+]C[C@@H](O)c2cccc(Br)c2)CCN1Cc1ccccc1 ZINC000818983653 660241270 /nfs/dbraw/zinc/24/12/70/660241270.db2.gz LZHJEUBUKMIOTL-QZTJIDSGSA-N 1 0 389.293 2.873 20 0 GFADRO O=C(Cc1cccc(F)c1)NCC[NH2+]C[C@@H](O)c1cccc(Br)c1 ZINC000818990843 660242247 /nfs/dbraw/zinc/24/22/47/660242247.db2.gz PXVVJHYGFNMPPY-QGZVFWFLSA-N 1 0 395.272 2.570 20 0 GFADRO COC(=O)COc1ccccc1C[NH2+]C[C@@H](O)c1ccccc1Br ZINC000819012882 660243240 /nfs/dbraw/zinc/24/32/40/660243240.db2.gz RBHLEYBBXAATNI-MRXNPFEDSA-N 1 0 394.265 2.824 20 0 GFADRO CN(C[C@@H](O)C[NH2+]Cc1ccc(Br)cc1F)C(=O)OC(C)(C)C ZINC000819052265 660244542 /nfs/dbraw/zinc/24/45/42/660244542.db2.gz AYJRTHZDQYTDGE-ZDUSSCGKSA-N 1 0 391.281 2.906 20 0 GFADRO CCS(=O)(=O)C[C@@H](C)[NH2+]C[C@@](C)(O)c1ccc(Br)cc1Cl ZINC000819065200 660245237 /nfs/dbraw/zinc/24/52/37/660245237.db2.gz LZFNESNKWOAKJB-QMTHXVAHSA-N 1 0 398.750 2.723 20 0 GFADRO CC(C)(C)OC(=O)N1CC([NH2+]C[C@@H](O)c2ccc(F)c(Br)c2)C1 ZINC000819080217 660245850 /nfs/dbraw/zinc/24/58/50/660245850.db2.gz ZCORTOSPZMGQPU-CQSZACIVSA-N 1 0 389.265 2.831 20 0 GFADRO CC(C)(C)OC(=O)NC[C@](C)(O)C[NH2+]CCc1ccc(Br)cc1 ZINC000819079422 660245859 /nfs/dbraw/zinc/24/58/59/660245859.db2.gz ABHHCWCVGAAILS-QGZVFWFLSA-N 1 0 387.318 2.857 20 0 GFADRO C[C@H](C[NH2+]C[C@H](O)COc1cccc(Br)c1)CC1(C)OCCO1 ZINC000819095209 660246349 /nfs/dbraw/zinc/24/63/49/660246349.db2.gz BPIJMJDWWRAKSD-ZFWWWQNUSA-N 1 0 388.302 2.568 20 0 GFADRO C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)c2ccc(Cl)cc2Cl)C(=O)N1c1cnn(C)c1 ZINC000819123546 660247155 /nfs/dbraw/zinc/24/71/55/660247155.db2.gz XLNPLZGQKPFXPH-UHNFBRDESA-N 1 0 383.279 2.544 20 0 GFADRO CN(C)[C@]1(C[NH2+]C[C@@](C)(O)c2ccc(Br)cc2F)CCSC1 ZINC000819132349 660247621 /nfs/dbraw/zinc/24/76/21/660247621.db2.gz WDNYJLIYNILTLO-CVEARBPZSA-N 1 0 391.350 2.823 20 0 GFADRO O=S(=O)(C1CC1)N1CCC([NH2+]C[C@@H](O)c2ccc(Cl)cc2Cl)CC1 ZINC000819148275 660247968 /nfs/dbraw/zinc/24/79/68/660247968.db2.gz RXKDJESKSZWSBE-MRXNPFEDSA-N 1 0 393.336 2.573 20 0 GFADRO CCNS(=O)(=O)c1ccc(C[NH2+]C[C@@H](O)c2ccc(F)cc2Cl)cc1 ZINC000819167704 660248614 /nfs/dbraw/zinc/24/86/14/660248614.db2.gz GYJALZJYKBQMLL-QGZVFWFLSA-N 1 0 386.876 2.601 20 0 GFADRO Cc1cc(C[NH2+]C[C@@H](O)c2ccc(S(C)(=O)=O)cc2)ccc1Br ZINC000819361515 660256824 /nfs/dbraw/zinc/25/68/24/660256824.db2.gz RIUUINYMDDHARZ-QGZVFWFLSA-N 1 0 398.322 2.984 20 0 GFADRO CC(=O)N1CCC[C@H](C[NH2+]C[C@@](C)(O)c2ccc(Br)cc2F)C1 ZINC000819276307 660253364 /nfs/dbraw/zinc/25/33/64/660253364.db2.gz HVDHSNPBXBZFBV-CXAGYDPISA-N 1 0 387.293 2.644 20 0 GFADRO CCC[C@H](C)C(=O)NCC[NH2+]C[C@@](C)(O)c1ccc(Br)cc1F ZINC000819329951 660255099 /nfs/dbraw/zinc/25/50/99/660255099.db2.gz MIJXDHYJLVBVDR-YVEFUNNKSA-N 1 0 389.309 2.938 20 0 GFADRO O=S1(=O)C[C@@H](C[NH2+]C[C@H](O)c2ccccc2Br)c2ccccc21 ZINC000819338090 660255724 /nfs/dbraw/zinc/25/57/24/660255724.db2.gz WCTFEORAJKANMA-WBMJQRKESA-N 1 0 396.306 2.643 20 0 GFADRO C[C@@](O)(C[NH2+]C[C@H]1CC[C@H](C(N)=O)CC1)c1ccc(Br)cc1F ZINC000819374789 660257356 /nfs/dbraw/zinc/25/73/56/660257356.db2.gz NKMKKPHWBPGCAS-PSTGCABASA-N 1 0 387.293 2.677 20 0 GFADRO Cc1nc(SC(F)(F)F)sc1CC(=O)N[C@H](CO)C[NH+]1CCCCC1 ZINC000819749488 660268687 /nfs/dbraw/zinc/26/86/87/660268687.db2.gz SGJSPHUMFQGDDR-NSHDSACASA-N 1 0 397.488 2.569 20 0 GFADRO O[C@@H](CN1CCC[C@@H]([NH+]2CCOCC2)CC1)c1cccc(Br)c1 ZINC000821257794 660319420 /nfs/dbraw/zinc/31/94/20/660319420.db2.gz CCJOLAJRTRFQNE-MSOLQXFVSA-N 1 0 383.330 2.669 20 0 GFADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)Nc1cc(Br)nn1C ZINC000821467424 660326849 /nfs/dbraw/zinc/32/68/49/660326849.db2.gz YQMKOCGMXDLCCW-TZMCWYRMSA-N 1 0 392.301 2.825 20 0 GFADRO C[NH+](C)CCn1cc(NC(=O)NC[C@@H](O)c2ccc(Cl)c(Cl)c2)cn1 ZINC000821501158 660327823 /nfs/dbraw/zinc/32/78/23/660327823.db2.gz NQGBODIHZHIGCR-OAHLLOKOSA-N 1 0 386.283 2.607 20 0 GFADRO C[N@@H+]1CCC[C@@H](CCNC(=O)C[C@@H]2C(=O)Nc3c2cccc3Br)C1 ZINC000822458438 660345948 /nfs/dbraw/zinc/34/59/48/660345948.db2.gz ZMAQHJXSOPAHLY-JSGCOSHPSA-N 1 0 394.313 2.723 20 0 GFADRO CN(C)c1ncc(C[NH2+]C(C)(C)[C@H](O)c2ccc(Br)cc2)n1C ZINC000822470359 660346330 /nfs/dbraw/zinc/34/63/30/660346330.db2.gz NOWWPJWQHKKSSL-OAHLLOKOSA-N 1 0 381.318 2.850 20 0 GFADRO Cn1cc(Br)c(C(=O)Nc2ccc(C[NH+](C)C)cc2F)cc1=O ZINC000822648184 660350852 /nfs/dbraw/zinc/35/08/52/660350852.db2.gz RWECRPZSONRNQW-UHFFFAOYSA-N 1 0 382.233 2.601 20 0 GFADRO COc1cc(Br)c(Cc2noc([C@H]3C[C@]34CC[NH2+]C4)n2)cc1OC ZINC000822909617 660357729 /nfs/dbraw/zinc/35/77/29/660357729.db2.gz CCYBYIFVXUCWAW-DIFFPNOSSA-N 1 0 394.269 2.907 20 0 GFADRO CO[C@@H](C[NH3+])Cc1nc(-c2ccc(Br)cc2OC(F)F)no1 ZINC000822980927 660359341 /nfs/dbraw/zinc/35/93/41/660359341.db2.gz RCCLQAGNXVNQMZ-MRVPVSSYSA-N 1 0 378.173 2.617 20 0 GFADRO CS(=O)(=O)C1(c2nc(-c3ccc(Cl)cc3Cl)no2)CC[NH2+]CC1 ZINC000823069590 660360888 /nfs/dbraw/zinc/36/08/88/660360888.db2.gz QHGKYDNDZDFQCQ-UHFFFAOYSA-N 1 0 376.265 2.667 20 0 GFADRO Cc1cc([C@H]([NH3+])Cc2nc(-c3ccc(S(C)(=O)=O)s3)no2)cc(Cl)n1 ZINC000823295243 660367754 /nfs/dbraw/zinc/36/77/54/660367754.db2.gz FCRZQIFFGWEDEJ-SNVBAGLBSA-N 1 0 398.897 2.801 20 0 GFADRO CCS(=O)(=O)C[C@H](C)[N@H+](C)C[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000823453655 660372775 /nfs/dbraw/zinc/37/27/75/660372775.db2.gz WBUVFSYWSGNWJU-PMPSAXMXSA-N 1 0 376.563 2.777 20 0 GFADRO CCn1ncc(C(=O)Nc2ccc(OCC[NH+](C)C)c(F)c2)c1Br ZINC000823547537 660374717 /nfs/dbraw/zinc/37/47/17/660374717.db2.gz ZVAITKJGLAPEKN-UHFFFAOYSA-N 1 0 399.264 2.997 20 0 GFADRO O=C(N[C@H]1C[C@@H]([NH+]2CCCC2)C1)c1cnnn1-c1cccc(Cl)c1Cl ZINC000823646762 660377355 /nfs/dbraw/zinc/37/73/55/660377355.db2.gz FUICXJJMDFDGFG-TXEJJXNPSA-N 1 0 380.279 2.931 20 0 GFADRO CC[C@H]1C[C@@H]([NH2+]CCOc2ccc(S(=O)(=O)C(F)(F)F)cc2)CCO1 ZINC000824032571 660384273 /nfs/dbraw/zinc/38/42/73/660384273.db2.gz UISNNWNPHYDBNI-STQMWFEESA-N 1 0 381.416 2.906 20 0 GFADRO OC[C@@H](C[C@H](O)c1ccccc1)[NH2+]Cc1ccc(I)cc1 ZINC000824056761 660384723 /nfs/dbraw/zinc/38/47/23/660384723.db2.gz BCUUGFLRGDCEPX-SJORKVTESA-N 1 0 397.256 2.865 20 0 GFADRO CC(C)[C@@H](CNC(=O)OC(C)(C)C)C[NH+]1CCC(CS(C)(=O)=O)CC1 ZINC000824426901 660391716 /nfs/dbraw/zinc/39/17/16/660391716.db2.gz FQWWIVMJMWBOFS-INIZCTEOSA-N 1 0 376.563 2.540 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1CNCC[N@@H+]1CCC[C@@H]1C ZINC000824097649 660385449 /nfs/dbraw/zinc/38/54/49/660385449.db2.gz BIOJSNHKFKYADJ-KBPBESRZSA-N 1 0 398.345 2.536 20 0 GFADRO CC(C)[C@H](CNC(=O)OC(C)(C)C)C[NH2+]CC1(S(C)(=O)=O)CCCC1 ZINC000824377043 660391057 /nfs/dbraw/zinc/39/10/57/660391057.db2.gz RLWIQLTVQWJYLC-HNNXBMFYSA-N 1 0 376.563 2.730 20 0 GFADRO C[N@@H+](Cc1ccc(F)c(Br)c1)C[C@H](O)CNC(=O)OC(C)(C)C ZINC000824564678 660397237 /nfs/dbraw/zinc/39/72/37/660397237.db2.gz MKCDHFMIBAMARR-GFCCVEGCSA-N 1 0 391.281 2.906 20 0 GFADRO COCCOC1(C[NH2+]Cc2c(Cl)nc3cc(Cl)ccn32)CCOCC1 ZINC000824590403 660397745 /nfs/dbraw/zinc/39/77/45/660397745.db2.gz MVGYTRUNTGEHGR-UHFFFAOYSA-N 1 0 388.295 2.943 20 0 GFADRO C[N@H+](Cc1ccc2nc(NC(=O)NCCC[S@](C)=O)sc2c1)C1CC1 ZINC000824741229 660400642 /nfs/dbraw/zinc/40/06/42/660400642.db2.gz PVPQLIAGJGXCHW-VWLOTQADSA-N 1 0 380.539 2.781 20 0 GFADRO Cc1c(Br)cncc1C[N@H+]1CCC[C@@H]1C[C@@H](O)c1cnn(C)c1 ZINC000824950304 660406049 /nfs/dbraw/zinc/40/60/49/660406049.db2.gz RFWWSRXXDMXWAU-NVXWUHKLSA-N 1 0 379.302 2.974 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)C[C@H]2C(=O)Nc3ccc(Br)cc32)C1 ZINC000824773309 660401618 /nfs/dbraw/zinc/40/16/18/660401618.db2.gz OJCSKCNSRRMHKG-TZMCWYRMSA-N 1 0 394.313 2.864 20 0 GFADRO O=S(=O)(CC[NH2+]Cc1ccc(OC(F)F)c(Cl)c1)C1CCOCC1 ZINC000824897557 660404412 /nfs/dbraw/zinc/40/44/12/660404412.db2.gz XUQDHJYPGDYVJG-UHFFFAOYSA-N 1 0 383.844 2.625 20 0 GFADRO O=Cc1cc(C(=O)NCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)c(Cl)s1 ZINC000824942384 660405728 /nfs/dbraw/zinc/40/57/28/660405728.db2.gz WOUBUXIVXVPINQ-CQSZACIVSA-N 1 0 378.881 2.711 20 0 GFADRO COC(=O)N1CCC([NH2+]C[C@@H](CO)Cc2ccc(C)c(Br)c2)CC1 ZINC000825073126 660409502 /nfs/dbraw/zinc/40/95/02/660409502.db2.gz RSAJQHKMXOJBIB-HNNXBMFYSA-N 1 0 399.329 2.729 20 0 GFADRO Cn1ncc(C[NH2+]C[C@H](CO)Cc2ccc(F)c(Br)c2)c1Cl ZINC000825133841 660412086 /nfs/dbraw/zinc/41/20/86/660412086.db2.gz NDLNUCNDPBWBHN-LLVKDONJSA-N 1 0 390.684 2.916 20 0 GFADRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)CC[C@H]2CC2(Cl)Cl)CC1 ZINC000824998469 660407395 /nfs/dbraw/zinc/40/73/95/660407395.db2.gz QYDJLRUVVBXKEU-OAGGEKHMSA-N 1 0 376.372 2.977 20 0 GFADRO CCC[N@@H+]1CC[C@@H](NC(=O)c2cnn(Cc3ccccc3)c2Br)C1 ZINC000825626886 660435137 /nfs/dbraw/zinc/43/51/37/660435137.db2.gz ZFXDWWKWDFFKSL-OAHLLOKOSA-N 1 0 391.313 2.908 20 0 GFADRO C[NH+](C)[C@@H]1C[C@H](NC(=O)c2nc(C3CC3)ncc2Br)C12CCC2 ZINC000825519164 660431767 /nfs/dbraw/zinc/43/17/67/660431767.db2.gz ISDBRJOTQYZXTO-QWHCGFSZSA-N 1 0 379.302 2.719 20 0 GFADRO CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)c1c(Br)nc2n1CCC2 ZINC000825669847 660437253 /nfs/dbraw/zinc/43/72/53/660437253.db2.gz CJBATJDWZOYJDK-UHFFFAOYSA-N 1 0 391.313 2.926 20 0 GFADRO C[NH+](C)CCc1ccc(NC(=O)c2c(Br)nc3n2CCC3)cc1 ZINC000825675532 660437565 /nfs/dbraw/zinc/43/75/65/660437565.db2.gz IHCUDMUSDWYAGO-UHFFFAOYSA-N 1 0 377.286 2.948 20 0 GFADRO COCC[N@@H+]1CCC[C@H](NC(=O)Cc2sc(SCC(C)C)nc2C)C1 ZINC000826661901 660460447 /nfs/dbraw/zinc/46/04/47/660460447.db2.gz FPTHCOHPPJQUEV-HNNXBMFYSA-N 1 0 385.599 2.969 20 0 GFADRO C[C@]12CC[N@H+](CCC3OCCCO3)C[C@H]1C2(Br)Br ZINC000852335737 661861069 /nfs/dbraw/zinc/86/10/69/661861069.db2.gz MIZRRXPVEFDFRE-PWSUYJOCSA-N 1 0 383.124 2.967 20 0 GFADRO C[N@@H+]1CCC[C@@H]1CNC(=O)c1cnn(Cc2ccccc2)c1Br ZINC000827135878 660480130 /nfs/dbraw/zinc/48/01/30/660480130.db2.gz JXPYGSKDYHTTHC-CQSZACIVSA-N 1 0 377.286 2.518 20 0 GFADRO COc1cc(Br)c(C(=O)N2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)cc1OC ZINC000827256781 660486587 /nfs/dbraw/zinc/48/65/87/660486587.db2.gz XTPMMHOKPRPMSY-FZMZJTMJSA-N 1 0 383.286 2.633 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc(=O)[nH]c4c(Br)cccc34)CC[C@H]21 ZINC000827312060 660488493 /nfs/dbraw/zinc/48/84/93/660488493.db2.gz UCGUPXYZRMYLRH-IAQYHMDHSA-N 1 0 390.281 2.869 20 0 GFADRO Cc1c(F)c(Br)ccc1C(=O)N1CCC([NH+]2CCN(C)CC2)CC1 ZINC000827430817 660495394 /nfs/dbraw/zinc/49/53/94/660495394.db2.gz VRMKBCXSAVDVFH-UHFFFAOYSA-N 1 0 398.320 2.749 20 0 GFADRO C[N@@H+]1C[C@@]2(C)CN(C(=O)c3ccc4c(Br)cnn4c3)C[C@@]2(C)C1 ZINC000827598077 660504066 /nfs/dbraw/zinc/50/40/66/660504066.db2.gz KKLSFXJCRSTPDT-CALCHBBNSA-N 1 0 377.286 2.511 20 0 GFADRO C[NH+](C)CCC[C@@H]1CN(Cc2ccccc2I)CCO1 ZINC000827849658 660519326 /nfs/dbraw/zinc/51/93/26/660519326.db2.gz HBAOGCIEQVRKJI-OAHLLOKOSA-N 1 0 388.293 2.834 20 0 GFADRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)[C@]1(C)CC1(Br)Br ZINC000827898660 660522211 /nfs/dbraw/zinc/52/22/11/660522211.db2.gz RYJICIKREWSKPP-JQWIXIFHSA-N 1 0 382.140 2.683 20 0 GFADRO CO[C@@H](C)c1noc(CN2CCC[N@H+](C[C@]3(C)CC3(Cl)Cl)CC2)n1 ZINC000828005981 660526062 /nfs/dbraw/zinc/52/60/62/660526062.db2.gz DTOPIQWDZSPQIL-WFASDCNBSA-N 1 0 377.316 2.869 20 0 GFADRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1ccc(C(F)(F)Br)nc1 ZINC000828590944 660558540 /nfs/dbraw/zinc/55/85/40/660558540.db2.gz HHCYYZOYGMUMPD-CMPLNLGQSA-N 1 0 376.245 2.938 20 0 GFADRO COc1cc(Br)cc(C(=O)N(C)CC[NH+]2CC3(C2)CCOCC3)c1 ZINC000828596091 660558892 /nfs/dbraw/zinc/55/88/92/660558892.db2.gz JKTCVTVGCIBCDG-UHFFFAOYSA-N 1 0 397.313 2.642 20 0 GFADRO C[C@@H]1C[C@@H](N(C)C(=O)[C@]2(C)CC2(Br)Br)CC[N@@H+]1C ZINC000828594909 660558907 /nfs/dbraw/zinc/55/89/07/660558907.db2.gz DLONIMREEIDBSJ-SCVCMEIPSA-N 1 0 382.140 2.824 20 0 GFADRO CN(CC[NH+]1CC2(C1)CCOCC2)C(=O)Cc1cccc(Br)c1 ZINC000829272989 660587431 /nfs/dbraw/zinc/58/74/31/660587431.db2.gz NQGOUGABKYYARD-UHFFFAOYSA-N 1 0 381.314 2.562 20 0 GFADRO CN(CC[NH+]1CC2(C1)CCOCC2)C(=O)Cc1ccc(Br)cc1 ZINC000829291977 660587794 /nfs/dbraw/zinc/58/77/94/660587794.db2.gz FRUCUQSJUDCASZ-UHFFFAOYSA-N 1 0 381.314 2.562 20 0 GFADRO CC1([NH+]2CCC2)CCN(C(=O)c2ccc3c(Br)cnn3c2)CC1 ZINC000829455207 660593124 /nfs/dbraw/zinc/59/31/24/660593124.db2.gz LTNRTJKTUDXYBT-UHFFFAOYSA-N 1 0 377.286 2.797 20 0 GFADRO Cc1ccc(Br)c(C(=O)N[C@H](CC[NH+](C)C)c2cccnc2)n1 ZINC000830209672 660642344 /nfs/dbraw/zinc/64/23/44/660642344.db2.gz LPWQWZWTFNVFRW-OAHLLOKOSA-N 1 0 377.286 2.970 20 0 GFADRO CN(C)C(=O)O[C@@H]1CC[N@H+](CCC(=O)Nc2ccc(Br)cc2)C1 ZINC000830491996 660659390 /nfs/dbraw/zinc/65/93/90/660659390.db2.gz NEMBFGZGQFJGRQ-CQSZACIVSA-N 1 0 384.274 2.550 20 0 GFADRO CCN(C)C(=O)[C@@H]([NH2+]C[C@@H](O)COc1cc(Cl)ccc1Cl)C(C)C ZINC000830858750 660683303 /nfs/dbraw/zinc/68/33/03/660683303.db2.gz FZQJHMMYSVKTJF-CJNGLKHVSA-N 1 0 377.312 2.826 20 0 GFADRO CN(C)S(=O)(=O)C1(C[NH2+]Cc2cc(Br)c(Cl)s2)CC1 ZINC000886321150 663108110 /nfs/dbraw/zinc/10/81/10/663108110.db2.gz UNZDHHRXFKIBPS-UHFFFAOYSA-N 1 0 387.752 2.678 20 0 GFADRO O=C(Nn1cc(Br)cn1)[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000830907440 660685790 /nfs/dbraw/zinc/68/57/90/660685790.db2.gz RRFVDTHTHDBJIT-HNNXBMFYSA-N 1 0 377.286 2.670 20 0 GFADRO CS[C@@H]1CN(C(=O)c2cnn(C(C)(C)C)c2Br)C[C@H]1[NH+](C)C ZINC000831299702 660707813 /nfs/dbraw/zinc/70/78/13/660707813.db2.gz LPKMSKPKJXRZJK-VXGBXAGGSA-N 1 0 389.363 2.518 20 0 GFADRO CN(C[C@@H](O)c1ccccc1Br)C(=O)NCc1ccc(C[NH3+])cc1 ZINC000831299290 660707819 /nfs/dbraw/zinc/70/78/19/660707819.db2.gz QEXFEICHCDRQSY-QGZVFWFLSA-N 1 0 392.297 2.783 20 0 GFADRO C[C@@H]1CN(C(=O)c2cc(Br)n[nH]2)[C@@H](C)CN1Cc1ccccc1 ZINC000831508590 660711746 /nfs/dbraw/zinc/71/17/46/660711746.db2.gz QRTWNRVBSBNQCC-OLZOCXBDSA-N 1 0 377.286 2.907 20 0 GFADRO COC(=O)c1ccc(C[N@@H+]2CCC[C@H](c3nnc(N)o3)C2)c(Br)c1 ZINC000602890596 653213267 /nfs/dbraw/zinc/21/32/67/653213267.db2.gz BKTWNGPXADJERA-LBPRGKRZSA-N 1 0 395.257 2.581 20 0 GFADRO C[NH+]1CCC(C)(CNC(=O)[C@@]2(C)CC2(Br)Br)CC1 ZINC000831876543 660733053 /nfs/dbraw/zinc/73/30/53/660733053.db2.gz CDTPJIWKIUXTCR-GFCCVEGCSA-N 1 0 382.140 2.731 20 0 GFADRO CN(C)c1cc[nH+]c(NC(=O)[C@@]2(C)CC2(Br)Br)c1 ZINC000832032715 660748129 /nfs/dbraw/zinc/74/81/29/660748129.db2.gz IWFUZYCIEWAGKK-LLVKDONJSA-N 1 0 377.080 2.982 20 0 GFADRO CS[C@H]1CN(C(=O)c2sc(Br)nc2C)C[C@H]1[NH+]1CCCC1 ZINC000832131477 660756525 /nfs/dbraw/zinc/75/65/25/660756525.db2.gz MGTJYGGSLMLYIG-MNOVXSKESA-N 1 0 390.372 2.866 20 0 GFADRO Cn1cc(C[NH+]2CCC3(CCCCO3)CC2)c(I)n1 ZINC000895656764 663522092 /nfs/dbraw/zinc/52/20/92/663522092.db2.gz TUYHMGQWNINEPW-UHFFFAOYSA-N 1 0 375.254 2.560 20 0 GFADRO Cn1cnc(S(=O)(=O)N2CC[NH+](C(C)(C)CC(C)(C)C)CC2)c1Cl ZINC000832574667 660787264 /nfs/dbraw/zinc/78/72/64/660787264.db2.gz NYZGZKQYROEZRA-UHFFFAOYSA-N 1 0 376.954 2.595 20 0 GFADRO C[N@H+](C[C@H](O)COCc1ccco1)C[C@@H](O)c1ccccc1Br ZINC000832672388 660793760 /nfs/dbraw/zinc/79/37/60/660793760.db2.gz JLLVCSISTFVIST-SUMWQHHRSA-N 1 0 384.270 2.585 20 0 GFADRO O=C(NC[C@H]1CCCC[N@H+]1CCO)C(F)(F)c1ccccc1Br ZINC000833553889 660808501 /nfs/dbraw/zinc/80/85/01/660808501.db2.gz XBEYBGDWUXHSNS-GFCCVEGCSA-N 1 0 391.256 2.504 20 0 GFADRO CC(C)[N@@H+]1CC[C@H](C(=O)NCc2ncc(Cl)s2)[C@H](c2cnn(C)c2)C1 ZINC000834542185 660824045 /nfs/dbraw/zinc/82/40/45/660824045.db2.gz FKQCUNRUCPYBRJ-KBPBESRZSA-N 1 0 381.933 2.660 20 0 GFADRO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]CCOCC1CCCC1 ZINC000835059698 660839828 /nfs/dbraw/zinc/83/98/28/660839828.db2.gz VWVPSEOPOPITRH-HNNXBMFYSA-N 1 0 389.949 2.501 20 0 GFADRO O=C(CN1C(=S)N=NC1c1ccc(Cl)cc1)NCCC[C@@H]1CCC[NH2+]1 ZINC000834848923 660834962 /nfs/dbraw/zinc/83/49/62/660834962.db2.gz LBVMNCXLNHGXJV-AWEZNQCLSA-N 1 0 379.917 2.536 20 0 GFADRO C[C@H]([NH2+]CCS(=O)(=O)C1CCOCC1)c1ccc(OC(F)(F)F)cc1 ZINC000834886832 660837138 /nfs/dbraw/zinc/83/71/38/660837138.db2.gz OBVWWYHCVQNYJS-LBPRGKRZSA-N 1 0 381.416 2.830 20 0 GFADRO C[C@H](CCCc1cccnc1)[NH2+]CC1CCN(S(=O)(=O)C(F)F)CC1 ZINC000834645352 660828696 /nfs/dbraw/zinc/82/86/96/660828696.db2.gz CYCOIOGWGXPPQV-CQSZACIVSA-N 1 0 375.485 2.647 20 0 GFADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]CCC1CC(F)(F)C1 ZINC000835062266 660839768 /nfs/dbraw/zinc/83/97/68/660839768.db2.gz ZOSBEIYAQWRMBL-GFCCVEGCSA-N 1 0 381.876 2.730 20 0 GFADRO C[C@H]1CCC[N@H+](CCNC(=O)NC[C@@H](O)c2ccccc2Br)C1 ZINC000836236943 660896713 /nfs/dbraw/zinc/89/67/13/660896713.db2.gz WYHUEJUMWVKEDV-XJKSGUPXSA-N 1 0 384.318 2.514 20 0 GFADRO CC(C)[N@@H+]1CC[C@H](CNC(=O)NC[C@H](O)c2ccccc2Br)C1 ZINC000836345982 660900805 /nfs/dbraw/zinc/90/08/05/660900805.db2.gz QJOVRQCLZLINRB-CJNGLKHVSA-N 1 0 384.318 2.512 20 0 GFADRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@H](O)c1ccccc1Br ZINC000836347049 660901016 /nfs/dbraw/zinc/90/10/16/660901016.db2.gz YFDLKSZHWQPWSP-KEYYUXOJSA-N 1 0 398.345 2.902 20 0 GFADRO C[NH+](C)CCCOc1cnccc1CNC(=O)NC[C@@]1(C)CC1(Cl)Cl ZINC000836457270 660907669 /nfs/dbraw/zinc/90/76/69/660907669.db2.gz ABNRCXPCCGQJBO-MRXNPFEDSA-N 1 0 389.327 2.795 20 0 GFADRO Cc1c(Br)nccc1NC(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000836679372 660926880 /nfs/dbraw/zinc/92/68/80/660926880.db2.gz ZUHWPZQPBCZMDK-UHFFFAOYSA-N 1 0 397.317 2.729 20 0 GFADRO Cc1c(Br)nccc1NC(=O)N(CC[NH+](C)C)C[C@H]1CCCO1 ZINC000836675278 660925042 /nfs/dbraw/zinc/92/50/42/660925042.db2.gz BDMPLBBEJGTBRN-CYBMUJFWSA-N 1 0 385.306 2.727 20 0 GFADRO Cc1c(Br)nccc1NC(=O)NCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000836676335 660925184 /nfs/dbraw/zinc/92/51/84/660925184.db2.gz IFTHLMIZSRRQCC-RYUDHWBXSA-N 1 0 385.306 2.773 20 0 GFADRO O=C(Nc1ccnc(Br)c1)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000836693844 660931488 /nfs/dbraw/zinc/93/14/88/660931488.db2.gz YWHADPXWLJRCJG-AWEZNQCLSA-N 1 0 383.290 2.609 20 0 GFADRO O=C(NCCCC[N@H+]1CCC[C@@H]1CO)Nc1nc(CC(F)(F)F)cs1 ZINC000836704421 660933413 /nfs/dbraw/zinc/93/34/13/660933413.db2.gz VDNUZKWVJHOYDT-GFCCVEGCSA-N 1 0 380.436 2.606 20 0 GFADRO CC[NH+]1CCN(c2ccc(NC(=O)CSc3nnc(C)s3)cc2)CC1 ZINC000006387058 654455879 /nfs/dbraw/zinc/45/58/79/654455879.db2.gz RFQPYDFASOGTKU-UHFFFAOYSA-N 1 0 377.539 2.719 20 0 GFADRO CC[C@@H](C)[NH+]1CCN(C(=O)/C=C/c2ccc(I)o2)CC1 ZINC000837006259 660964723 /nfs/dbraw/zinc/96/47/23/660964723.db2.gz CVIYMMUWLSXFAK-HOSRBBHYSA-N 1 0 388.249 2.840 20 0 GFADRO CC[C@H]([NH2+]CC(=O)Nc1ccc(S(N)(=O)=O)cc1)c1ccc(Cl)cc1 ZINC000024253177 654543167 /nfs/dbraw/zinc/54/31/67/654543167.db2.gz JDLNANMQQXBTNS-INIZCTEOSA-N 1 0 381.885 2.667 20 0 GFADRO C[C@H]([N@H+](C)CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1)C(C)(C)C ZINC000027133048 654562734 /nfs/dbraw/zinc/56/27/34/654562734.db2.gz WFBUUONTBGGZGA-LBPRGKRZSA-N 1 0 389.949 2.895 20 0 GFADRO C[N@H+](CCOc1ccccc1Cl)CCC(=O)Nc1sccc1C(N)=O ZINC000028890697 654573393 /nfs/dbraw/zinc/57/33/93/654573393.db2.gz TYLLGOHNCFWUQD-UHFFFAOYSA-N 1 0 381.885 2.840 20 0 GFADRO C[NH+]1CCC(Oc2ccc(Cl)cc2NC(=O)CN2CCSC2=O)CC1 ZINC000837090549 660971042 /nfs/dbraw/zinc/97/10/42/660971042.db2.gz AGEARLOHOHGVFL-UHFFFAOYSA-N 1 0 383.901 2.920 20 0 GFADRO CCCNC(=O)C[NH2+]Cc1cc(Br)c(OC)c(Br)c1 ZINC000037262592 654614562 /nfs/dbraw/zinc/61/45/62/654614562.db2.gz ZAMLNYWKXAGDFX-UHFFFAOYSA-N 1 0 394.107 2.836 20 0 GFADRO CCN(CCC[NH2+][C@@H](C)c1ccc(F)c(Br)c1)S(C)(=O)=O ZINC000038035589 654616647 /nfs/dbraw/zinc/61/66/47/654616647.db2.gz LOUYQFPWQHYKAO-NSHDSACASA-N 1 0 381.311 2.910 20 0 GFADRO Cc1csc([C@@](O)(CC(=O)N(C)[C@H]2CC[N@@H+](C(C)C)C2)C(F)(F)F)n1 ZINC000837186723 660976238 /nfs/dbraw/zinc/97/62/38/660976238.db2.gz UMQATHZYNFNBBD-WFASDCNBSA-N 1 0 379.448 2.533 20 0 GFADRO CC(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc(Br)cc2)CC1 ZINC000041277466 654625403 /nfs/dbraw/zinc/62/54/03/654625403.db2.gz BUMMTUSBKVRBIQ-UHFFFAOYSA-N 1 0 382.302 2.624 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CNC(=S)NCc1ccc(N2CCSCC2)cc1 ZINC000044236064 654655485 /nfs/dbraw/zinc/65/54/85/654655485.db2.gz PEBXSYGGSHMMHJ-SFHVURJKSA-N 1 0 378.611 2.688 20 0 GFADRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=S)NC[C@H]2CCCO2)CC1 ZINC000044511885 654658953 /nfs/dbraw/zinc/65/89/53/654658953.db2.gz XTNFKDNYGSTMRK-OAHLLOKOSA-N 1 0 382.961 2.947 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH2+]CCNC(=O)C1CC1 ZINC000048682415 654711273 /nfs/dbraw/zinc/71/12/73/654711273.db2.gz AYGWBLZPGGOYKN-UHFFFAOYSA-N 1 0 391.313 2.867 20 0 GFADRO COc1cc(C[NH2+]CC(=O)Nc2ccc(Br)cc2)cc2c1OCO2 ZINC000048749365 654712814 /nfs/dbraw/zinc/71/28/14/654712814.db2.gz XJUPGNKSXRHXEP-UHFFFAOYSA-N 1 0 393.237 2.915 20 0 GFADRO C[C@H]1C[NH+](CCCNC(=O)CCc2ccccc2Br)C[C@H](C)O1 ZINC000051353261 654723389 /nfs/dbraw/zinc/72/33/89/654723389.db2.gz VETSZPWAVREIFP-GJZGRUSLSA-N 1 0 383.330 2.997 20 0 GFADRO C[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(I)ccc1Cl ZINC000121965496 654726099 /nfs/dbraw/zinc/72/60/99/654726099.db2.gz IBSIDTPJGVBBAA-SNVBAGLBSA-N 1 0 378.641 2.769 20 0 GFADRO CSCC[C@@H]([NH3+])C(=O)Nc1nccn1Cc1ccc(Br)cc1 ZINC000121992142 654727340 /nfs/dbraw/zinc/72/73/40/654727340.db2.gz ZSJMVMLDHLEIPY-CYBMUJFWSA-N 1 0 383.315 2.713 20 0 GFADRO Cc1cccc(NC(=O)C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)c1Br ZINC000122174074 654730202 /nfs/dbraw/zinc/73/02/02/654730202.db2.gz UHTNAWNIPQFZDV-DZGCQCFKSA-N 1 0 394.313 2.639 20 0 GFADRO Cc1cc(NC(=O)C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)ccc1Br ZINC000122292781 654732607 /nfs/dbraw/zinc/73/26/07/654732607.db2.gz LTJQZLGEARVNNG-CZUORRHYSA-N 1 0 394.313 2.639 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)c1cc(=O)[nH]c2c(Br)cccc12 ZINC000122316740 654733617 /nfs/dbraw/zinc/73/36/17/654733617.db2.gz LCWVZZGUGFBJNO-QMTHXVAHSA-N 1 0 378.270 2.633 20 0 GFADRO [NH3+]C1CCN(S(=O)(=O)c2ccc(Br)cc2C(F)(F)F)CC1 ZINC000122335083 654734408 /nfs/dbraw/zinc/73/44/08/654734408.db2.gz CWRNUHCWNGBXOO-UHFFFAOYSA-N 1 0 387.221 2.580 20 0 GFADRO COc1ccc([C@H](C)[NH2+][C@H](C)C(=O)NC(=O)NC(C)C)cc1Br ZINC000052686711 654738065 /nfs/dbraw/zinc/73/80/65/654738065.db2.gz XEXDXVRBAXLOHY-WDEREUQCSA-N 1 0 386.290 2.731 20 0 GFADRO O=C(COc1ccc(Cl)cc1Cl)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000052843762 654740472 /nfs/dbraw/zinc/74/04/72/654740472.db2.gz WSMOMCWHYZLRDV-UHFFFAOYSA-N 1 0 386.323 2.612 20 0 GFADRO C[N@@H+]1CCN(CCCNC(=O)c2scnc2Cl)[C@H](c2ccccc2)C1 ZINC000053474341 654747427 /nfs/dbraw/zinc/74/74/27/654747427.db2.gz YPALELYNZGGTCO-HNNXBMFYSA-N 1 0 378.929 2.905 20 0 GFADRO CCCC[N@H+](C)CCNC(=O)C(=O)Nc1cc(F)c(Br)cc1F ZINC000122957307 654748318 /nfs/dbraw/zinc/74/83/18/654748318.db2.gz QKTODVSDWUDZTL-UHFFFAOYSA-N 1 0 392.244 2.514 20 0 GFADRO C[C@@H]1C[C@H](N(C)C(=O)c2ccc(F)cc2I)CC[N@@H+]1C ZINC000123056511 654751785 /nfs/dbraw/zinc/75/17/85/654751785.db2.gz BYJQHZSICGGDQO-ZYHUDNBSSA-N 1 0 390.240 2.985 20 0 GFADRO O=C(NC1CC[NH+](Cc2ccccn2)CC1)c1cncc(Br)c1 ZINC000053990224 654754786 /nfs/dbraw/zinc/75/47/86/654754786.db2.gz SRNWPQXMUJQCEG-UHFFFAOYSA-N 1 0 375.270 2.634 20 0 GFADRO COCCNc1nn(CN2CC[N@H+](C)C[C@H]2c2ccccc2)c(=S)s1 ZINC000123942126 654766671 /nfs/dbraw/zinc/76/66/71/654766671.db2.gz IKRCCKSZHYQAOJ-HNNXBMFYSA-N 1 0 379.555 2.679 20 0 GFADRO C[NH+](C)CCOc1cc(CNC(=O)c2cc(Br)cs2)ccn1 ZINC000124061077 654770216 /nfs/dbraw/zinc/77/02/16/654770216.db2.gz IDWPPDCSUWDRPF-UHFFFAOYSA-N 1 0 384.299 2.776 20 0 GFADRO O=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)c1c(Br)nc2n1CCCC2 ZINC000837580621 661005992 /nfs/dbraw/zinc/00/59/92/661005992.db2.gz CFBKSWREPRHISE-ZDUSSCGKSA-N 1 0 381.318 2.729 20 0 GFADRO COc1cc([C@@H](C)[NH2+]C[C@H](O)c2ccco2)ccc1S(=O)(=O)C(F)F ZINC000125203384 654789320 /nfs/dbraw/zinc/78/93/20/654789320.db2.gz QMHBDGPOBFPYHX-PWSUYJOCSA-N 1 0 375.393 2.669 20 0 GFADRO CC(C)CN(CC[NH+](C)C)C(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000125276577 654790043 /nfs/dbraw/zinc/79/00/43/654790043.db2.gz KHMAEQATSUFGRY-UHFFFAOYSA-N 1 0 377.457 2.734 20 0 GFADRO C[C@@H]1C[NH2+]CCN1C(=O)c1cc(I)cc(C(F)(F)F)c1 ZINC000125306830 654790635 /nfs/dbraw/zinc/79/06/35/654790635.db2.gz ZZMRQNYFCYWRSR-MRVPVSSYSA-N 1 0 398.166 2.744 20 0 GFADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)Nc1nncs1 ZINC000056515995 654796550 /nfs/dbraw/zinc/79/65/50/654796550.db2.gz ACVVOAPKYSXQCY-UHFFFAOYSA-N 1 0 384.303 2.896 20 0 GFADRO CCn1c(SCC(=O)NC[C@@H](C)[N@H+](C)C2CC2)nnc1-c1cccs1 ZINC000057720741 654809123 /nfs/dbraw/zinc/80/91/23/654809123.db2.gz YCYWPQINHVHVTK-GFCCVEGCSA-N 1 0 379.555 2.718 20 0 GFADRO Cc1ccc(Cl)cc1S(=O)(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000127539852 654831903 /nfs/dbraw/zinc/83/19/03/654831903.db2.gz FWXVZCYZNGTMNB-SJORKVTESA-N 1 0 386.945 2.695 20 0 GFADRO Cc1ccc(Cl)c(S(=O)(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)c1 ZINC000128367950 654844861 /nfs/dbraw/zinc/84/48/61/654844861.db2.gz NUQXCFQMPLGUFY-IAGOWNOFSA-N 1 0 386.945 2.695 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@H](NC(=O)C2CCN(C(=O)c3ccc(Cl)s3)CC2)C1 ZINC000128408820 654846018 /nfs/dbraw/zinc/84/60/18/654846018.db2.gz RGBPLAJWMVVMAY-UONOGXRCSA-N 1 0 383.945 2.853 20 0 GFADRO O=S(=O)(NC1CC[NH+](CC2CCCC2)CC1)c1cccc2nsnc21 ZINC000063311311 654851840 /nfs/dbraw/zinc/85/18/40/654851840.db2.gz IFTYJGAYVKTPBQ-UHFFFAOYSA-N 1 0 380.539 2.624 20 0 GFADRO O=C(/C=C/c1ccc(Br)cc1)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000266196463 654862186 /nfs/dbraw/zinc/86/21/86/654862186.db2.gz GFMTYWSRLAWMGG-WUTVXBCWSA-N 1 0 379.298 2.643 20 0 GFADRO CC(C)[C@@H](CNS(=O)(=O)/C=C/c1ccccc1Cl)N1CC[NH+](C)CC1 ZINC000266212289 654863693 /nfs/dbraw/zinc/86/36/93/654863693.db2.gz QQKGRXWQYXSFRE-INMULRNOSA-N 1 0 385.961 2.502 20 0 GFADRO Cc1cc(Br)c(S(=O)(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)s1 ZINC000266249477 654866520 /nfs/dbraw/zinc/86/65/20/654866520.db2.gz XLITWHBSDLTCNH-MWLCHTKSSA-N 1 0 381.361 2.922 20 0 GFADRO COc1ccc(S(=O)(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)c(Cl)c1Cl ZINC000266256538 654866916 /nfs/dbraw/zinc/86/69/16/654866916.db2.gz XZSKVIAEXLUKOA-JTQLQIEISA-N 1 0 379.309 2.765 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CNC(=S)NCc1cc(Br)ccc1OC ZINC000064377600 654867570 /nfs/dbraw/zinc/86/75/70/654867570.db2.gz VUANJUAUYIZONH-CQSZACIVSA-N 1 0 386.359 2.906 20 0 GFADRO C[NH+](C)CCCCNC(=O)[C@H](c1ccc(Cl)cc1Cl)N1CCOCC1 ZINC000266291060 654869534 /nfs/dbraw/zinc/86/95/34/654869534.db2.gz IJYJEFFSIWJPBZ-KRWDZBQOSA-N 1 0 388.339 2.825 20 0 GFADRO [NH3+]C[C@H]1CCCN(C(=O)c2c(Cl)ccc(I)c2F)C1 ZINC000911706068 664253649 /nfs/dbraw/zinc/25/36/49/664253649.db2.gz CJHKAHTTWDRXNX-MRVPVSSYSA-N 1 0 396.631 2.895 20 0 GFADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000064666700 654873889 /nfs/dbraw/zinc/87/38/89/654873889.db2.gz VLKUACYFJOTVAX-VVLHAWIVSA-N 1 0 379.298 2.532 20 0 GFADRO C[NH+](C)CCCCCOC(=O)c1ccc(Br)cc1-n1cncn1 ZINC000130183528 654882869 /nfs/dbraw/zinc/88/28/69/654882869.db2.gz UDGMHDXAWZWWMQ-UHFFFAOYSA-N 1 0 381.274 2.919 20 0 GFADRO CC[C@@H](NC(=O)NCCC[N@H+](C)CCOC)c1nc(C(F)(F)F)cs1 ZINC000266629330 654887705 /nfs/dbraw/zinc/88/77/05/654887705.db2.gz ALGSEAOUOLXQEX-LLVKDONJSA-N 1 0 382.452 2.881 20 0 GFADRO COCCOc1cccc(C[NH2+]CCS(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000065935811 654890801 /nfs/dbraw/zinc/89/08/01/654890801.db2.gz RKZWAKJOVWNWNG-UHFFFAOYSA-N 1 0 383.897 2.929 20 0 GFADRO O=C(Cc1c[nH]c2cccc(Br)c12)NCCCC[NH+]1CCOCC1 ZINC000130909535 654893625 /nfs/dbraw/zinc/89/36/25/654893625.db2.gz STVAJGBLIGLEJN-UHFFFAOYSA-N 1 0 394.313 2.702 20 0 GFADRO CC[C@@H](C)[N@H+](C)CCNC(=O)CSc1nnc(-c2cccs2)n1CC ZINC000066127097 654895627 /nfs/dbraw/zinc/89/56/27/654895627.db2.gz QCMRPPWAGKRYBR-CYBMUJFWSA-N 1 0 381.571 2.965 20 0 GFADRO CC[C@@H](C)[N@H+](C)CCNC(=O)CSc1nncn1-c1cccc(Cl)c1 ZINC000066149945 654896058 /nfs/dbraw/zinc/89/60/58/654896058.db2.gz TUZITQDSFOBDQL-CYBMUJFWSA-N 1 0 381.933 2.859 20 0 GFADRO COCC[N@H+](C)CCCC1CCN(C(=O)Cc2sc(=S)[nH]c2C)CC1 ZINC000131100196 654896484 /nfs/dbraw/zinc/89/64/84/654896484.db2.gz JFUSPYRLFMLNQV-UHFFFAOYSA-N 1 0 385.599 2.880 20 0 GFADRO COc1cc(C[NH2+]Cc2cccc(C(N)=O)c2)cc(Br)c1OC ZINC000131159523 654897041 /nfs/dbraw/zinc/89/70/41/654897041.db2.gz GAUJKNYXPFMNFT-UHFFFAOYSA-N 1 0 379.254 2.855 20 0 GFADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2ccc(Br)nc2)[C@@H](C)C1 ZINC000266882513 654897376 /nfs/dbraw/zinc/89/73/76/654897376.db2.gz PGPLZKNYMYLREO-ZFWWWQNUSA-N 1 0 384.318 2.711 20 0 GFADRO CC[NH+]1CCC(CNC(=O)N(C)C[C@H](O)c2ccccc2Br)CC1 ZINC000838155675 661030898 /nfs/dbraw/zinc/03/08/98/661030898.db2.gz HDLCJGOSCJJDJR-KRWDZBQOSA-N 1 0 398.345 2.856 20 0 GFADRO C[C@@H]([NH2+]CC1(c2cccc(Br)c2)CCOCC1)C(=O)NC1CC1 ZINC000266997486 654903585 /nfs/dbraw/zinc/90/35/85/654903585.db2.gz BMKAHHISSXTETR-CYBMUJFWSA-N 1 0 381.314 2.754 20 0 GFADRO C[NH+](C)CCOc1ccccc1CNS(=O)(=O)c1c(F)cccc1Cl ZINC000131374877 654904293 /nfs/dbraw/zinc/90/42/93/654904293.db2.gz BELZJJKDWINWGQ-UHFFFAOYSA-N 1 0 386.876 2.898 20 0 GFADRO O=C(COc1ccc(Cl)c(Cl)c1)NCCCC[N@H+]1CCC[C@H]1CO ZINC000131406510 654905503 /nfs/dbraw/zinc/90/55/03/654905503.db2.gz IVPGZMGRHKMOGD-ZDUSSCGKSA-N 1 0 375.296 2.725 20 0 GFADRO Cn1cc(C(=O)NC[C@]2([NH+](C)C)CCSC2)c(-c2ccccc2Cl)n1 ZINC000267158119 654914004 /nfs/dbraw/zinc/91/40/04/654914004.db2.gz YHHQKMHPXYGQQX-GOSISDBHSA-N 1 0 378.929 2.908 20 0 GFADRO CN(C)C(=O)[C@H]1C[N@H+](CCc2cccs2)CCN1CCc1cccs1 ZINC000131743249 654916209 /nfs/dbraw/zinc/91/62/09/654916209.db2.gz DOTZOBDRZBMOBR-GOSISDBHSA-N 1 0 377.579 2.669 20 0 GFADRO O=C(C[NH2+][C@]1(CO)CCc2ccccc21)Nc1ccc(Br)cc1 ZINC000132255696 654930729 /nfs/dbraw/zinc/93/07/29/654930729.db2.gz FDCXAQWHAOMBFE-SFHVURJKSA-N 1 0 375.266 2.811 20 0 GFADRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)Nc1ccc(Br)cc1 ZINC000067398257 654937870 /nfs/dbraw/zinc/93/78/70/654937870.db2.gz OJWOCUUONXVNII-CHWSQXEVSA-N 1 0 382.302 2.624 20 0 GFADRO Cn1cc(Br)cc(NC(=O)NCCCCC[NH+]2CCCCC2)c1=O ZINC000267649572 654940233 /nfs/dbraw/zinc/94/02/33/654940233.db2.gz RIQYSFWKJRGVTC-UHFFFAOYSA-N 1 0 399.333 2.926 20 0 GFADRO CC(C)C[NH+]1CCC(NC(=O)CNC(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000067593761 654941585 /nfs/dbraw/zinc/94/15/85/654941585.db2.gz BXVZXXBDWPOFIV-UHFFFAOYSA-N 1 0 386.323 2.960 20 0 GFADRO Cc1[nH]c(=O)c(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1Br ZINC000132602746 654943311 /nfs/dbraw/zinc/94/33/11/654943311.db2.gz FIISWMYYDKROBZ-MLGOLLRUSA-N 1 0 394.313 2.947 20 0 GFADRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)Cn2cc(Br)cn2)CC1 ZINC000267764071 654945418 /nfs/dbraw/zinc/94/54/18/654945418.db2.gz RHZSVKUDMASNMA-UHFFFAOYSA-N 1 0 391.313 2.769 20 0 GFADRO O=C(Nc1cc(Br)c[nH]c1=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000067941337 654949565 /nfs/dbraw/zinc/94/95/65/654949565.db2.gz JAYKOGWDGJZJBE-UHFFFAOYSA-N 1 0 376.254 2.986 20 0 GFADRO CCOc1cc(Br)c(CC(=O)N2CCC[C@H]([NH2+]C)C2)cc1OCC ZINC000132989790 654951346 /nfs/dbraw/zinc/95/13/46/654951346.db2.gz CKIRCYLGMBIHMX-AWEZNQCLSA-N 1 0 399.329 2.999 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)c2cc(F)ccc2I)C[N@@H+]1C1CC1 ZINC000267991743 654955198 /nfs/dbraw/zinc/95/51/98/654955198.db2.gz QHIGIXALZHRGGW-KOLCDFICSA-N 1 0 388.224 2.785 20 0 GFADRO CC[NH+]1CCN(CCCNC(=O)c2[nH]c3ccccc3c2Br)CC1 ZINC000068117086 654955263 /nfs/dbraw/zinc/95/52/63/654955263.db2.gz UCBZEWJHLASYMI-UHFFFAOYSA-N 1 0 393.329 2.688 20 0 GFADRO C[NH+](C)CCCOc1ccc(CNC(=O)NC[C@@H]2CSCCS2)cc1 ZINC000268046811 654956933 /nfs/dbraw/zinc/95/69/33/654956933.db2.gz PDSFQAYJULSCRR-QGZVFWFLSA-N 1 0 383.583 2.665 20 0 GFADRO C[C@@H](CNC(=O)[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)[N@H+](C)C1CC1 ZINC000068195985 654957281 /nfs/dbraw/zinc/95/72/81/654957281.db2.gz ZWYBBDZFCOQGJB-FZMZJTMJSA-N 1 0 384.307 2.945 20 0 GFADRO C[NH+](C)[C@H]1CCCN(C(=O)CSc2nncn2-c2cccc(Cl)c2)C1 ZINC000068340895 654960363 /nfs/dbraw/zinc/96/03/63/654960363.db2.gz XQELUIQENHWELO-HNNXBMFYSA-N 1 0 379.917 2.565 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)[C@@]12CCC(=O)N1c1cc(Cl)ccc1S2)C1CC1 ZINC000068378773 654960905 /nfs/dbraw/zinc/96/09/05/654960905.db2.gz KSMQFLHRDXXIHN-KSSFIOAISA-N 1 0 379.913 2.725 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)N1CCC[C@@H]([NH2+]C)C1 ZINC000133373214 654962422 /nfs/dbraw/zinc/96/24/22/654962422.db2.gz NFSMKKIURDWBTQ-LSDHHAIUSA-N 1 0 384.567 2.561 20 0 GFADRO Cc1cc(Br)ccc1S(=O)(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000133385772 654962639 /nfs/dbraw/zinc/96/26/39/654962639.db2.gz SPSNJWRPZZTXNV-OCCSQVGLSA-N 1 0 375.332 2.861 20 0 GFADRO C[NH+](C)C[C@@H]1CCCN1C(=O)c1cnn(-c2ccc(Br)cc2)c1 ZINC000268225215 654964053 /nfs/dbraw/zinc/96/40/53/654964053.db2.gz XIYIGODSRNCWRE-INIZCTEOSA-N 1 0 377.286 2.801 20 0 GFADRO CCC[N@@H+]1CC[C@@H](CNC(=O)NCCOc2ccc(Br)cc2)C1 ZINC000068546772 654965390 /nfs/dbraw/zinc/96/53/90/654965390.db2.gz UCZGNIRDEBDFDI-AWEZNQCLSA-N 1 0 384.318 2.859 20 0 GFADRO CC(C)[N@@H+]1CCCN(C(=O)CCNC(=O)c2ccc(Br)cc2)CC1 ZINC000068800542 654968417 /nfs/dbraw/zinc/96/84/17/654968417.db2.gz SDBZBMBTFPPUMK-UHFFFAOYSA-N 1 0 396.329 2.512 20 0 GFADRO CC(C)[NH+]1CCC(O)(CNC(=O)/C=C/c2ccc(Br)s2)CC1 ZINC000268439534 654971725 /nfs/dbraw/zinc/97/17/25/654971725.db2.gz FVVUQYXPTWSEIH-GQCTYLIASA-N 1 0 387.343 2.875 20 0 GFADRO C[NH2+][C@H]1CCCN(C(=O)[C@H](CCOC)Cc2cccc(Br)c2)C1 ZINC000134034323 654981204 /nfs/dbraw/zinc/98/12/04/654981204.db2.gz ZTNMBHMZJDVEQN-WBVHZDCISA-N 1 0 383.330 2.855 20 0 GFADRO CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccc(Br)cc2CC)C1 ZINC000268719448 654984300 /nfs/dbraw/zinc/98/43/00/654984300.db2.gz CIJLQAUUENVZAQ-ZDUSSCGKSA-N 1 0 396.329 2.798 20 0 GFADRO CS(=O)(=O)NCCC[NH2+][C@H]1CCc2c1cc(Cl)cc2Br ZINC000134298972 654989759 /nfs/dbraw/zinc/98/97/59/654989759.db2.gz WOQVQRMCRFLJBA-ZDUSSCGKSA-N 1 0 381.723 2.619 20 0 GFADRO NC(=O)C1(C[NH2+][C@H]2CCc3c2cc(Cl)cc3Br)CCOCC1 ZINC000134314707 654990498 /nfs/dbraw/zinc/99/04/98/654990498.db2.gz LJJVSYSILOUYLC-AWEZNQCLSA-N 1 0 387.705 2.962 20 0 GFADRO O=C(NCc1ccccc1Br)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000268947404 654992333 /nfs/dbraw/zinc/99/23/33/654992333.db2.gz BTJOPINYITVIIE-DLBZAZTESA-N 1 0 396.329 2.626 20 0 GFADRO CN(C)C(=O)CN1CCC([NH2+][C@H]2CCc3c2c(Br)ccc3F)CC1 ZINC000134392117 654993300 /nfs/dbraw/zinc/99/33/00/654993300.db2.gz YMMGPEGMCWMANS-INIZCTEOSA-N 1 0 398.320 2.718 20 0 GFADRO CCOC(=O)CNC(=O)C1CC[NH+]([C@@H](C)c2ccc(Br)cc2)CC1 ZINC000134540624 654995958 /nfs/dbraw/zinc/99/59/58/654995958.db2.gz RDKYLWMIMGCNBK-ZDUSSCGKSA-N 1 0 397.313 2.901 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)C(=O)NCC[N@H+]1CCCC[C@H]1C ZINC000071009138 654998132 /nfs/dbraw/zinc/99/81/32/654998132.db2.gz XYCLLCGILQYFEW-CYBMUJFWSA-N 1 0 382.302 2.687 20 0 GFADRO CCCC[C@@H](C[NH3+])NC(=O)[C@@H](CCSC)NC(=O)c1ccccc1Cl ZINC000269196276 655001442 /nfs/dbraw/zinc/00/14/42/655001442.db2.gz QFAZLMWFWMSZFI-XJKSGUPXSA-N 1 0 385.961 2.825 20 0 GFADRO C[C@H]1CN(C(=O)CCc2nc(-c3cc(Br)cs3)no2)CC[C@@H]1[NH3+] ZINC000269244060 655002943 /nfs/dbraw/zinc/00/29/43/655002943.db2.gz YYNAESGWESYQMI-ONGXEEELSA-N 1 0 399.314 2.689 20 0 GFADRO CN(Cc1nc(C(F)(F)F)cs1)C(=O)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC000269299717 655004875 /nfs/dbraw/zinc/00/48/75/655004875.db2.gz TXXHAGPPVYWCTK-GFCCVEGCSA-N 1 0 377.432 2.764 20 0 GFADRO C[NH+](C)CCC(=O)Nc1ccc(NC(=O)c2ccnc(Br)c2)cc1 ZINC000135078410 655009033 /nfs/dbraw/zinc/00/90/33/655009033.db2.gz FHFYDXWOAWCIDP-UHFFFAOYSA-N 1 0 391.269 2.987 20 0 GFADRO Cn1nc(Br)c2c1ncnc2N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000269440546 655009442 /nfs/dbraw/zinc/00/94/42/655009442.db2.gz SJXQZHPPHASCSK-WCQYABFASA-N 1 0 391.317 2.579 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2ccc3nc(Cl)cnc3c2)[C@@H](C)C1 ZINC000269474775 655010647 /nfs/dbraw/zinc/01/06/47/655010647.db2.gz CZJMRCHNEYFRJG-LRDDRELGSA-N 1 0 382.917 2.634 20 0 GFADRO [NH3+][C@H](CC(=O)NCc1cc(Br)c2c(c1)OCCO2)c1ccccc1 ZINC000269489281 655011296 /nfs/dbraw/zinc/01/12/96/655011296.db2.gz IGTSXQDBAYQZSX-OAHLLOKOSA-N 1 0 391.265 2.927 20 0 GFADRO Cc1ccc(NC(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c(Br)n1 ZINC000269495747 655011531 /nfs/dbraw/zinc/01/15/31/655011531.db2.gz MGKKITLRHDTNCP-HUUCEWRRSA-N 1 0 397.317 2.652 20 0 GFADRO O=S(=O)(c1cnc2ccsc2c1)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000269528139 655012749 /nfs/dbraw/zinc/01/27/49/655012749.db2.gz VAJYGPFUACAOOF-DYVFJYSZSA-N 1 0 377.535 2.934 20 0 GFADRO COCCn1cc(C[NH2+]C(C)(C)COc2ncccc2Br)cn1 ZINC000269538371 655012952 /nfs/dbraw/zinc/01/29/52/655012952.db2.gz ZTNOTZUIFCNIHC-UHFFFAOYSA-N 1 0 383.290 2.634 20 0 GFADRO COC(=O)Cn1cc(CC[N@H+](Cc2ccc(Br)cc2)C(C)C)nn1 ZINC000269601131 655014467 /nfs/dbraw/zinc/01/44/67/655014467.db2.gz VXCWGWIOXOUWDY-UHFFFAOYSA-N 1 0 395.301 2.667 20 0 GFADRO Brc1ccc2ncc(CN3CCC[C@H](C[NH+]4CCOCC4)C3)n2c1 ZINC000093017082 655016598 /nfs/dbraw/zinc/01/65/98/655016598.db2.gz ZICFOEUOSOOYMW-OAHLLOKOSA-N 1 0 393.329 2.641 20 0 GFADRO CC[NH+](CC)CC(=O)N1CCN(Cc2ccc(CSC(F)F)o2)CC1 ZINC000093046091 655016736 /nfs/dbraw/zinc/01/67/36/655016736.db2.gz WXCDOBRDPSWWKP-UHFFFAOYSA-N 1 0 375.485 2.721 20 0 GFADRO CN(Cc1ccccc1Br)C(=O)C[N@@H+]1CCS[C@H]2COCC[C@@H]21 ZINC000135546083 655020155 /nfs/dbraw/zinc/02/01/55/655020155.db2.gz QZHDKXHTHFWHCL-HOTGVXAUSA-N 1 0 399.354 2.614 20 0 GFADRO C[NH+](C)[C@H]1CC[C@H](NC(=O)c2cn(-c3ccc(Br)cc3)cn2)C1 ZINC000093987474 655025757 /nfs/dbraw/zinc/02/57/57/655025757.db2.gz MHMIDFFHPDOXBW-ZFWWWQNUSA-N 1 0 377.286 2.847 20 0 GFADRO C[NH+](C)CCn1cc(NC(=O)/C=C/c2cc(Br)cs2)ccc1=O ZINC000270053471 655032683 /nfs/dbraw/zinc/03/26/83/655032683.db2.gz CWBXAMVOMURRHR-SNAWJCMRSA-N 1 0 396.310 2.886 20 0 GFADRO Cc1cc(S(=O)(=O)NCC[NH2+][C@@H](C)CCc2ccc(O)cc2)c(C)s1 ZINC000136630076 655033694 /nfs/dbraw/zinc/03/36/94/655033694.db2.gz YKENIMDGZKCWHQ-ZDUSSCGKSA-N 1 0 382.551 2.960 20 0 GFADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)NCCNc3ncc(Cl)cc3Cl)CC[C@@H]21 ZINC000136891000 655036489 /nfs/dbraw/zinc/03/64/89/655036489.db2.gz XVGRURYCPBGFHW-DOMZBBRYSA-N 1 0 386.327 2.926 20 0 GFADRO O=C(Cc1ccccc1I)NC1CC[NH+](C2CC2)CC1 ZINC000137113004 655038064 /nfs/dbraw/zinc/03/80/64/655038064.db2.gz JBTGKNWURAEFBN-UHFFFAOYSA-N 1 0 384.261 2.577 20 0 GFADRO CS[C@H]1CN(C(=O)CCCc2nc(-c3cccs3)no2)C[C@@H]1[NH+](C)C ZINC000270472336 655045820 /nfs/dbraw/zinc/04/58/20/655045820.db2.gz MAWPZLDQRBQHJN-JSGCOSHPSA-N 1 0 380.539 2.625 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)C1(c2ccc(Br)cc2)CCOCC1)C1CC1 ZINC000101692041 655046163 /nfs/dbraw/zinc/04/61/63/655046163.db2.gz REHDVVBZYIPRHN-QGZVFWFLSA-N 1 0 395.341 2.954 20 0 GFADRO Cc1ccc(I)c(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000101684848 655046172 /nfs/dbraw/zinc/04/61/72/655046172.db2.gz QAJQRJROVSMLFP-GFCCVEGCSA-N 1 0 384.261 2.814 20 0 GFADRO O=C(NCCCn1ccnc1)N1CCO[C@@H](c2ccccc2Br)C1 ZINC000101761313 655047125 /nfs/dbraw/zinc/04/71/25/655047125.db2.gz IZWQNNNCWTXVSK-MRXNPFEDSA-N 1 0 393.285 2.819 20 0 GFADRO Cc1cc(C(=O)NCCCC[N@@H+]2CCC[C@@H]2CO)c(Br)s1 ZINC000270586573 655049919 /nfs/dbraw/zinc/04/99/19/655049919.db2.gz BNZXEHIRBNFNSF-GFCCVEGCSA-N 1 0 375.332 2.786 20 0 GFADRO CS(=O)(=O)[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)C1 ZINC000270594774 655050157 /nfs/dbraw/zinc/05/01/57/655050157.db2.gz JMEFMZNSVZSCJQ-AXAPSJFSSA-N 1 0 388.892 2.530 20 0 GFADRO CC(C)c1cc(Br)ccc1NC(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000270621874 655051119 /nfs/dbraw/zinc/05/11/19/655051119.db2.gz OZLYGEYGZYBENB-CQSZACIVSA-N 1 0 383.334 2.940 20 0 GFADRO C[C@H](NC(=O)[C@H]1CSCCS1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000102609484 655056333 /nfs/dbraw/zinc/05/63/33/655056333.db2.gz BDMRTPVOVCWFKM-SUMWQHHRSA-N 1 0 383.558 2.603 20 0 GFADRO Cc1ccc(C(=O)N2CC[C@H]([NH+]3CCCC3)C2)cc1I ZINC000102754744 655059864 /nfs/dbraw/zinc/05/98/64/655059864.db2.gz YTPSZKAPHCMQJU-AWEZNQCLSA-N 1 0 384.261 2.910 20 0 GFADRO CC(C)[NH+]1CCN(C2CCN(C(=O)c3ccc(Br)o3)CC2)CC1 ZINC000270914444 655060001 /nfs/dbraw/zinc/06/00/01/655060001.db2.gz OJXPTDZSKVPXFW-UHFFFAOYSA-N 1 0 384.318 2.673 20 0 GFADRO Cc1csc(SCc2ccccc2C(=O)NC[C@](C)(O)C[NH+](C)C)n1 ZINC000152741747 655061287 /nfs/dbraw/zinc/06/12/87/655061287.db2.gz HJXOMSJTIVBLBN-SFHVURJKSA-N 1 0 379.551 2.786 20 0 GFADRO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000152753819 655061574 /nfs/dbraw/zinc/06/15/74/655061574.db2.gz UCYFTZWDTUMWDK-GFCCVEGCSA-N 1 0 393.281 2.983 20 0 GFADRO C[NH+](C)CCCC1CCN(C(=O)c2ccc(Cl)c(S(C)(=O)=O)c2)CC1 ZINC000270972093 655062094 /nfs/dbraw/zinc/06/20/94/655062094.db2.gz QCFWMUYHXLELTG-UHFFFAOYSA-N 1 0 386.945 2.938 20 0 GFADRO C[NH+](C)C[C@@](C)(O)CNC(=O)C(C)(C)Sc1ccc(Br)cc1 ZINC000152815404 655062260 /nfs/dbraw/zinc/06/22/60/655062260.db2.gz AEWJZNMZBKTEMT-INIZCTEOSA-N 1 0 389.359 2.749 20 0 GFADRO COCC[N@H+](C)CCNC(=O)NC1(c2ccc(Br)cc2)CCC1 ZINC000103314306 655071020 /nfs/dbraw/zinc/07/10/20/655071020.db2.gz KDRNHFDHGZWROA-UHFFFAOYSA-N 1 0 384.318 2.706 20 0 GFADRO O=C(c1nccn2c(Br)cnc12)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000271222523 655071205 /nfs/dbraw/zinc/07/12/05/655071205.db2.gz CYBYBRHBEVIZEH-UHFFFAOYSA-N 1 0 392.301 2.582 20 0 GFADRO C[NH+]1CCC(CCNC(=O)N2CCN(Cc3ccc(Cl)s3)CC2)CC1 ZINC000103320379 655071296 /nfs/dbraw/zinc/07/12/96/655071296.db2.gz LOJUBQLEZLTUGR-UHFFFAOYSA-N 1 0 384.977 2.961 20 0 GFADRO NS(=O)(=O)C[C@@H]1CCC[N@@H+]([C@H]2CCCc3ccc(Br)cc32)C1 ZINC000271385605 655078921 /nfs/dbraw/zinc/07/89/21/655078921.db2.gz KZPDUGJCGSBAOE-WBMJQRKESA-N 1 0 387.343 2.827 20 0 GFADRO C[C@H](CC[S@](C)=O)[NH2+][C@@H](C)CC(=O)Nc1cccc(Br)c1 ZINC000271446007 655081519 /nfs/dbraw/zinc/08/15/19/655081519.db2.gz FBRVYZAYEXDKNU-IDFMNXDXSA-N 1 0 375.332 2.913 20 0 GFADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)Nc1ccc(Br)c2ccccc12 ZINC000271543422 655085003 /nfs/dbraw/zinc/08/50/03/655085003.db2.gz IDFKDZOUFOSKIX-ZDUSSCGKSA-N 1 0 391.313 2.970 20 0 GFADRO COc1cc([C@@H](C)[NH2+]C[C@](C)(O)C(F)(F)F)ccc1S(=O)(=O)C(F)F ZINC000271596168 655087449 /nfs/dbraw/zinc/08/74/49/655087449.db2.gz YXFRDGGNIIQDBE-OQPBUACISA-N 1 0 391.358 2.655 20 0 GFADRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)Nc1cccnc1Br ZINC000271596414 655087484 /nfs/dbraw/zinc/08/74/84/655087484.db2.gz WIXHKMBVSPUPMF-ZDUSSCGKSA-N 1 0 397.317 2.553 20 0 GFADRO COc1ccc(Br)cc1C(=O)CCC(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000105326328 655090796 /nfs/dbraw/zinc/09/07/96/655090796.db2.gz BQFVMIMIZCUCPZ-AWEZNQCLSA-N 1 0 397.313 2.973 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)c2cc(=O)[nH]c3ccc(Br)cc32)C1 ZINC000156368626 655092405 /nfs/dbraw/zinc/09/24/05/655092405.db2.gz NCUOYAJESZNMRV-QWRGUYRKSA-N 1 0 378.270 2.902 20 0 GFADRO COc1ccc(Br)c(C(=O)NCCC[NH2+][C@H]2CCO[C@H](C)C2)c1 ZINC000271762590 655093924 /nfs/dbraw/zinc/09/39/24/655093924.db2.gz SVTACJYRVMXMFU-OLZOCXBDSA-N 1 0 385.302 2.735 20 0 GFADRO CS(=O)(=O)C[C@H]([NH2+]C[C@@H](O)c1ccc(Br)cc1)c1ccccc1 ZINC000271780467 655094515 /nfs/dbraw/zinc/09/45/15/655094515.db2.gz KUKVZRLCZWXTFR-DLBZAZTESA-N 1 0 398.322 2.858 20 0 GFADRO CCOC(=O)[C@@H]1CCC[N@H+](Cn2ccc(=O)c3cccc(Br)c32)C1 ZINC000105604225 655095749 /nfs/dbraw/zinc/09/57/49/655095749.db2.gz GCQCIRGRNWHORP-CYBMUJFWSA-N 1 0 393.281 2.997 20 0 GFADRO C[C@@H]([NH2+][C@@H]1CCN(c2ccc(Cl)cc2)C1)c1cccc(S(N)(=O)=O)c1 ZINC000272004138 655100809 /nfs/dbraw/zinc/10/08/09/655100809.db2.gz SHHMWLNQSBVKLE-CZUORRHYSA-N 1 0 379.913 2.917 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCN(C(=O)[C@@H](c2ccc(Cl)cc2Cl)N2CCOCC2)C1 ZINC000272287911 655108053 /nfs/dbraw/zinc/10/80/53/655108053.db2.gz PCXZJMQGFNYTFU-GDZNZVCISA-N 1 0 386.323 2.562 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)CCc2nc(-c3cc(Br)cs3)no2)C1 ZINC000272305602 655108504 /nfs/dbraw/zinc/10/85/04/655108504.db2.gz RDWNEBRMGWLEHH-ZJUUUORDSA-N 1 0 399.314 2.689 20 0 GFADRO CN(CC[NH+]1CCCC1)C(=O)c1cnn(-c2cccc(Br)c2)c1 ZINC000106771210 655111025 /nfs/dbraw/zinc/11/10/25/655111025.db2.gz SYLAEURJDYPRLN-UHFFFAOYSA-N 1 0 377.286 2.803 20 0 GFADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)CSc1cccc(C(F)(F)F)c1 ZINC000106816365 655111881 /nfs/dbraw/zinc/11/18/81/655111881.db2.gz HBQZVVCGLLRDQR-CYBMUJFWSA-N 1 0 375.460 2.550 20 0 GFADRO C[C@H](O)[C@@H]1CCCC[N@@H+]1CC(=O)N(C)Cc1cc(Br)cs1 ZINC000106864535 655112679 /nfs/dbraw/zinc/11/26/79/655112679.db2.gz QRJLBRVJTHAVML-FZMZJTMJSA-N 1 0 375.332 2.704 20 0 GFADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)c3cc(F)ccc3I)[C@@H]2C1 ZINC000272455683 655113159 /nfs/dbraw/zinc/11/31/59/655113159.db2.gz JWROZHWLZWZNNO-QMTHXVAHSA-N 1 0 388.224 2.597 20 0 GFADRO C[N@@H+]1CC[C@H]2CCN(C(=O)c3cc(I)ccc3F)[C@H]2C1 ZINC000272508596 655115137 /nfs/dbraw/zinc/11/51/37/655115137.db2.gz OPJGQIKSTFKWCG-HZMBPMFUSA-N 1 0 388.224 2.597 20 0 GFADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)Nc3ccc(Br)cc3)C2)CC1 ZINC000106937357 655115606 /nfs/dbraw/zinc/11/56/06/655115606.db2.gz KYAHOHSJBAXIQU-MRXNPFEDSA-N 1 0 381.318 2.693 20 0 GFADRO COc1cc(C(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)cc(OC)c1Br ZINC000272670131 655118524 /nfs/dbraw/zinc/11/85/24/655118524.db2.gz IOYXVDHCBUFTKY-NSHDSACASA-N 1 0 383.286 2.847 20 0 GFADRO C[C@@H]([NH2+]CCOc1ccc(Br)cc1)c1cccc(S(N)(=O)=O)c1 ZINC000272703916 655119828 /nfs/dbraw/zinc/11/98/28/655119828.db2.gz SYCUXSWSERMIIC-GFCCVEGCSA-N 1 0 399.310 2.826 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)NC1CC[NH+](C)CC1 ZINC000107342774 655119956 /nfs/dbraw/zinc/11/99/56/655119956.db2.gz DPSMVJVTVSMIDW-CQSZACIVSA-N 1 0 384.567 2.561 20 0 GFADRO O=C(NC[C@H]1CC[NH2+]C1)c1cccnc1Oc1cccc(Br)c1 ZINC000272972389 655126895 /nfs/dbraw/zinc/12/68/95/655126895.db2.gz BVISMIRZKYBAPT-LBPRGKRZSA-N 1 0 376.254 2.976 20 0 GFADRO C[C@@]1(CNC(=O)Cc2csc(NC(=O)c3cccs3)n2)CCC[NH2+]C1 ZINC000273055550 655129151 /nfs/dbraw/zinc/12/91/51/655129151.db2.gz XXFJCPAZVUAOQW-QGZVFWFLSA-N 1 0 378.523 2.505 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1cc(C(=O)OC)c(Cl)cc1Cl ZINC000162196398 655130388 /nfs/dbraw/zinc/13/03/88/655130388.db2.gz IHYWHMZNZTWSMN-JTQLQIEISA-N 1 0 395.308 2.543 20 0 GFADRO CCn1c(SCC(=O)NC[C@@H]2CCC[N@H+](C)C2)nnc1-c1cccs1 ZINC000108332646 655131330 /nfs/dbraw/zinc/13/13/30/655131330.db2.gz ZODFQDDIIKSPOI-ZDUSSCGKSA-N 1 0 379.555 2.577 20 0 GFADRO CS(=O)(=O)c1ccc(OCCC[NH2+][C@@H](CO)c2ccc(Cl)cc2)cc1 ZINC000273150442 655132348 /nfs/dbraw/zinc/13/23/48/655132348.db2.gz WZUHQFVJDNQRDI-SFHVURJKSA-N 1 0 383.897 2.836 20 0 GFADRO OC[C@@H]([NH2+]C[C@@H](O)COc1ccccc1F)c1ccc(Br)cc1 ZINC000273151610 655132614 /nfs/dbraw/zinc/13/26/14/655132614.db2.gz XGCYDNPWKNOHJD-GDBMZVCRSA-N 1 0 384.245 2.651 20 0 GFADRO Cn1ncc(C(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)c1Br ZINC000273277442 655137850 /nfs/dbraw/zinc/13/78/50/655137850.db2.gz WAHOWIZZXMGOQL-HNNXBMFYSA-N 1 0 377.286 2.750 20 0 GFADRO C[N@@H+]1CCC[C@@H]2CN(CN3C(=O)c4cc(Cl)c(Cl)cc4C3=O)CC[C@@H]21 ZINC000164727656 655138396 /nfs/dbraw/zinc/13/83/96/655138396.db2.gz JHROAKDWWFZJLX-BZNIZROVSA-N 1 0 382.291 2.963 20 0 GFADRO CNC(=O)C(C)(C)C[NH2+][C@@H](C)c1nnn(-c2cccc(Br)c2)c1C ZINC000273361885 655140534 /nfs/dbraw/zinc/14/05/34/655140534.db2.gz OOCARRYKPQPAQL-NSHDSACASA-N 1 0 394.317 2.761 20 0 GFADRO O[C@H](COc1ccc(Cl)cc1Cl)C[N@@H+]1CCC[C@H](C2OCCO2)C1 ZINC000171139966 655149150 /nfs/dbraw/zinc/14/91/50/655149150.db2.gz JQYHTKXBGTYIIU-JSGCOSHPSA-N 1 0 376.280 2.818 20 0 GFADRO CC(C)(C[NH2+]Cc1cc(O)ccc1Br)[C@H]1COCC12OCCO2 ZINC000839172538 661074369 /nfs/dbraw/zinc/07/43/69/661074369.db2.gz JZENIWBPQQFELZ-OAHLLOKOSA-N 1 0 386.286 2.660 20 0 GFADRO C[NH+](C)[C@@H]1CCCN(C[C@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000109811691 655152344 /nfs/dbraw/zinc/15/23/44/655152344.db2.gz SUHIQWSPLDVETM-KGLIPLIRSA-N 1 0 391.737 2.868 20 0 GFADRO C[N@@H+]1CCCC[C@H]1CN1CCN(CCOc2cccc(Br)c2)CC1 ZINC000111231210 655166815 /nfs/dbraw/zinc/16/68/15/655166815.db2.gz HJSCKBRBNNNYBI-SFHVURJKSA-N 1 0 396.373 2.930 20 0 GFADRO C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)N1CCC[C@H]([NH+](C)C)C1 ZINC000111248858 655167413 /nfs/dbraw/zinc/16/74/13/655167413.db2.gz BAROCVARQRYBPR-PBHICJAKSA-N 1 0 382.346 2.822 20 0 GFADRO O=C(CC[N@@H+]1CCC[C@H](N2CCCC2=O)C1)Nc1ccccc1Br ZINC000111295389 655168244 /nfs/dbraw/zinc/16/82/44/655168244.db2.gz XOXQYFXRFCVEEC-AWEZNQCLSA-N 1 0 394.313 2.865 20 0 GFADRO CCC[N@H+](C)C[C@@H]1CCN(Cn2nc(N(C(C)=O)C3CC3)sc2=S)C1 ZINC000173447586 655172967 /nfs/dbraw/zinc/17/29/67/655172967.db2.gz GSJRKXWEEVRCJQ-AWEZNQCLSA-N 1 0 383.587 2.811 20 0 GFADRO C[NH+](C)C1CCN(Cc2noc(Cc3ccc(Br)cc3)n2)CC1 ZINC000111683625 655176084 /nfs/dbraw/zinc/17/60/84/655176084.db2.gz XVLCCHYWSDJTRR-UHFFFAOYSA-N 1 0 379.302 2.949 20 0 GFADRO C[NH+](C)[C@@H]1CCCN(Cc2noc(Cc3ccc(Br)cc3)n2)C1 ZINC000111689222 655176456 /nfs/dbraw/zinc/17/64/56/655176456.db2.gz CPBXMICIHIDHBL-OAHLLOKOSA-N 1 0 379.302 2.949 20 0 GFADRO CC(C)C[NH+]1CCC(NC(=O)COc2ccc(C=O)cc2Br)CC1 ZINC000173864562 655182719 /nfs/dbraw/zinc/18/27/19/655182719.db2.gz XRKBKKRTVDSAPW-UHFFFAOYSA-N 1 0 397.313 2.877 20 0 GFADRO C[C@H](CNC(=O)COc1ccc(C=O)cc1Br)[NH+]1CCC(C)CC1 ZINC000173868316 655183197 /nfs/dbraw/zinc/18/31/97/655183197.db2.gz ZQRVIVJJAAGJIO-CQSZACIVSA-N 1 0 397.313 2.877 20 0 GFADRO CC[NH+](CC)C[C@@H]1CCN(S(=O)(=O)c2ccccc2Br)C1 ZINC000173921735 655185509 /nfs/dbraw/zinc/18/55/09/655185509.db2.gz PQCMHUOVSUDKGB-ZDUSSCGKSA-N 1 0 375.332 2.802 20 0 GFADRO C[C@H]([NH2+]CCc1cn2c(n1)SCC2)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000274353383 655185711 /nfs/dbraw/zinc/18/57/11/655185711.db2.gz GRXMNZJSJKIHAH-NSHDSACASA-N 1 0 387.477 2.878 20 0 GFADRO CC[C@@H]1C[N@H+](CCC(=O)Nc2sc3c(c2C(N)=O)CCCC3)CCS1 ZINC000173928875 655186218 /nfs/dbraw/zinc/18/62/18/655186218.db2.gz ZCOCONNUOSKBQA-GFCCVEGCSA-N 1 0 381.567 2.882 20 0 GFADRO CCCC[N@H+](C)CCNC(=O)c1ccc(F)cc1I ZINC000112310283 655188434 /nfs/dbraw/zinc/18/84/34/655188434.db2.gz IOFFHQQXCSIZCB-UHFFFAOYSA-N 1 0 378.229 2.892 20 0 GFADRO CCOc1c(Cl)cc(C[NH2+]CCCOCCOCCOC)cc1OC ZINC000274448142 655189191 /nfs/dbraw/zinc/18/91/91/655189191.db2.gz VVOLRMPRWVNSQA-UHFFFAOYSA-N 1 0 375.893 2.907 20 0 GFADRO NC(=O)[C@H]1CCC[N@H+](Cc2ccc(NC(=O)c3csc(Cl)n3)cc2)C1 ZINC000274449792 655189203 /nfs/dbraw/zinc/18/92/03/655189203.db2.gz IQXUULZFCSEPQU-LBPRGKRZSA-N 1 0 378.885 2.746 20 0 GFADRO C[C@@H]1CC[C@@H](C)[N@H+](CC(=O)NCC(=O)Nc2ccccc2Br)C1 ZINC000174012420 655190240 /nfs/dbraw/zinc/19/02/40/655190240.db2.gz XXJFBDIMYBBEGL-CHWSQXEVSA-N 1 0 382.302 2.624 20 0 GFADRO O=C(Nc1ccc(Br)cn1)C1CC[NH+](CC2CCOCC2)CC1 ZINC000112697071 655195278 /nfs/dbraw/zinc/19/52/78/655195278.db2.gz GPVCLZZZYIHKOA-UHFFFAOYSA-N 1 0 382.302 2.921 20 0 GFADRO CC1CC[NH+](C[C@@H](O)CNc2ncnc3ccc(Br)cc32)CC1 ZINC000112967192 655200460 /nfs/dbraw/zinc/20/04/60/655200460.db2.gz YOABAZHUDWUXPH-AWEZNQCLSA-N 1 0 379.302 2.897 20 0 GFADRO CC(C)[NH+](CCNC(=O)C(=O)Nc1ccc(Br)c(F)c1)C(C)C ZINC000174562846 655203392 /nfs/dbraw/zinc/20/33/92/655203392.db2.gz RQJMWWWMBLRHEM-UHFFFAOYSA-N 1 0 388.281 2.762 20 0 GFADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)Nc1ccc(Br)c(F)c1 ZINC000274847815 655204185 /nfs/dbraw/zinc/20/41/85/655204185.db2.gz VRBUMJNNYLMIAR-GFCCVEGCSA-N 1 0 387.297 2.736 20 0 GFADRO CS(=O)(=O)NCCC[NH2+]Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000113317451 655208014 /nfs/dbraw/zinc/20/80/14/655208014.db2.gz BPZXXDFWNZUFGQ-UHFFFAOYSA-N 1 0 393.456 2.858 20 0 GFADRO CN(C)c1ncc(Br)cc1C(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000113413674 655210008 /nfs/dbraw/zinc/21/00/08/655210008.db2.gz FSXACMINHVRMIS-UHFFFAOYSA-N 1 0 391.313 2.902 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1csc(I)c1 ZINC000113425767 655210336 /nfs/dbraw/zinc/21/03/36/655210336.db2.gz QEQSUIHWCCICGN-GHMZBOCLSA-N 1 0 376.263 2.709 20 0 GFADRO O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1csc(I)c1 ZINC000113425771 655210379 /nfs/dbraw/zinc/21/03/79/655210379.db2.gz QEQSUIHWCCICGN-WDEREUQCSA-N 1 0 376.263 2.709 20 0 GFADRO C[NH+](C)C1(CNC(=O)c2cc3c(cccc3Br)[nH]2)CCOCC1 ZINC000113990346 655216942 /nfs/dbraw/zinc/21/69/42/655216942.db2.gz BZNXFUPZPDUALJ-UHFFFAOYSA-N 1 0 380.286 2.771 20 0 GFADRO O=C(NCC(F)(F)F)[C@H]1CC[N@@H+](Cc2cc(O)ccc2Br)C1 ZINC000275117434 655217858 /nfs/dbraw/zinc/21/78/58/655217858.db2.gz GBOYMMISHSULNZ-VIFPVBQESA-N 1 0 381.192 2.655 20 0 GFADRO C[NH+](C)CCCOC1CCN(S(=O)(=O)c2ccc(Cl)cc2F)CC1 ZINC000175302339 655219093 /nfs/dbraw/zinc/21/90/93/655219093.db2.gz IMRUCKWVWYQTQF-UHFFFAOYSA-N 1 0 378.897 2.601 20 0 GFADRO CS[C@@H]1CN(C(=O)c2cc(NC(C)=O)ccc2Cl)C[C@@H]1[NH+]1CCCC1 ZINC000275156861 655220096 /nfs/dbraw/zinc/22/00/96/655220096.db2.gz TWLUMALLQVJKSR-DLBZAZTESA-N 1 0 381.929 2.950 20 0 GFADRO COC(=O)CC(C)(C)[NH2+]CCC(=O)Nc1ccc(Br)cc1F ZINC000839523075 661089741 /nfs/dbraw/zinc/08/97/41/661089741.db2.gz BIEFMJBPSWEVIG-UHFFFAOYSA-N 1 0 375.238 2.848 20 0 GFADRO O=C(NCC1=CC[NH2+]CC1)C1(c2ccc(Br)cc2)CCOCC1 ZINC000275160776 655220354 /nfs/dbraw/zinc/22/03/54/655220354.db2.gz OPENITVYPFPADA-UHFFFAOYSA-N 1 0 379.298 2.533 20 0 GFADRO CN(C)CC[NH+]1CCC(CNC(=O)CCc2cccc(Br)c2)CC1 ZINC000114381350 655222999 /nfs/dbraw/zinc/22/29/99/655222999.db2.gz OVXNWUWPJDAPOR-UHFFFAOYSA-N 1 0 396.373 2.772 20 0 GFADRO C[NH+](C)C[C@@H]1CCN(C(=O)c2ccn(-c3cccc(Br)c3)n2)C1 ZINC000114399204 655223342 /nfs/dbraw/zinc/22/33/42/655223342.db2.gz TVGMGFHFFBLWKH-ZDUSSCGKSA-N 1 0 377.286 2.659 20 0 GFADRO CC(C)[NH+]1CCC(NC(=O)CN2CCc3c(Br)cccc3C2)CC1 ZINC000114456061 655224624 /nfs/dbraw/zinc/22/46/24/655224624.db2.gz BJSFGRGODPGUNI-UHFFFAOYSA-N 1 0 394.357 2.796 20 0 GFADRO COC(=O)C[C@@H]([NH2+]CCC(=O)Nc1ccc(Br)cc1F)C1CC1 ZINC000839552536 661091505 /nfs/dbraw/zinc/09/15/05/661091505.db2.gz QVGMTKKYLYFWCX-CQSZACIVSA-N 1 0 387.249 2.848 20 0 GFADRO NC(=O)c1cnn2c1C[C@H](C[NH2+][C@@H]1CCc3c1cccc3Br)CC2 ZINC000275366116 655232093 /nfs/dbraw/zinc/23/20/93/655232093.db2.gz BQIIHDTVKPTTCP-BDJLRTHQSA-N 1 0 389.297 2.584 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)c1cc(I)c[nH]1)c1cccs1 ZINC000115317895 655234715 /nfs/dbraw/zinc/23/47/15/655234715.db2.gz KDNQDPYXWYFACL-LLVKDONJSA-N 1 0 389.262 2.714 20 0 GFADRO C[C@H](CNC(=O)c1cc(=O)[nH]c2c(Br)cccc12)[N@H+](C)C1CC1 ZINC000176161974 655237935 /nfs/dbraw/zinc/23/79/35/655237935.db2.gz MZHMTOJWUACZLK-SNVBAGLBSA-N 1 0 378.270 2.503 20 0 GFADRO C[NH+]1CCC([C@@H]2CCN(C(=O)C(=O)c3ccc(Br)s3)C2)CC1 ZINC000839712243 661101758 /nfs/dbraw/zinc/10/17/58/661101758.db2.gz FVIZFVAAZDBFER-GFCCVEGCSA-N 1 0 385.327 2.884 20 0 GFADRO CSc1nnc(CNC(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)s1 ZINC000275544265 655240951 /nfs/dbraw/zinc/24/09/51/655240951.db2.gz ZMOLUIJXPWCGME-TZMCWYRMSA-N 1 0 377.539 2.580 20 0 GFADRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)Nc2nnc(C(F)F)s2)[C@H](C)C1 ZINC000115763059 655241948 /nfs/dbraw/zinc/24/19/48/655241948.db2.gz NLTHGHVCUCWQDS-GHMZBOCLSA-N 1 0 377.461 2.734 20 0 GFADRO CC[N@@H+]1CCC[C@@H](NC(=O)c2cc(=O)[nH]c3c(Br)cccc23)C1 ZINC000176267103 655242793 /nfs/dbraw/zinc/24/27/93/655242793.db2.gz YHBNJEKQDGITGC-LLVKDONJSA-N 1 0 378.270 2.505 20 0 GFADRO CC1CCN(C(=S)SCC(=O)N(CC[NH+](C)C)Cc2ccco2)CC1 ZINC000176286720 655243286 /nfs/dbraw/zinc/24/32/86/655243286.db2.gz GVEKWFPFXSWYGG-UHFFFAOYSA-N 1 0 383.583 2.920 20 0 GFADRO CCC[N@H+](C)C[C@@H]1CCN(Cc2nnnn2-c2ccccc2Br)C1 ZINC000176278772 655243367 /nfs/dbraw/zinc/24/33/67/655243367.db2.gz YFHXYMPKNXXGGS-AWEZNQCLSA-N 1 0 393.333 2.589 20 0 GFADRO CCN(C[C@H]1CC[N@H+](CC(=O)NCc2sccc2C)C1)CC(F)(F)F ZINC000176396680 655243797 /nfs/dbraw/zinc/24/37/97/655243797.db2.gz UQXRAGKAYDYPIJ-CQSZACIVSA-N 1 0 377.476 2.879 20 0 GFADRO O=C(NC[C@@H]1CSCCS1)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000176427814 655245500 /nfs/dbraw/zinc/24/55/00/655245500.db2.gz DCQAHQZSNUDERS-QGZVFWFLSA-N 1 0 383.558 2.938 20 0 GFADRO Cn1ccnc1[C@H]1OCC[C@@H]1[NH2+]Cc1cc2c(cc1Br)OCO2 ZINC000275693619 655247349 /nfs/dbraw/zinc/24/73/49/655247349.db2.gz XCKPRAUCNBENKH-WFASDCNBSA-N 1 0 380.242 2.531 20 0 GFADRO C[C@@H]([NH2+]C[C@H]1CCn2ncc(C(N)=O)c2C1)c1cccc(Br)c1 ZINC000275697959 655247586 /nfs/dbraw/zinc/24/75/86/655247586.db2.gz XINNDCLHEHAORS-NEPJUHHUSA-N 1 0 377.286 2.658 20 0 GFADRO Cn1ccnc1[C@H]1OCC[C@@H]1[NH2+]Cc1cc(Br)cc2c1OCC2 ZINC000275713056 655248133 /nfs/dbraw/zinc/24/81/33/655248133.db2.gz YKSAZVHCZCYLEQ-HOCLYGCPSA-N 1 0 378.270 2.737 20 0 GFADRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)c1cc(=O)[nH]c2c(Br)cccc12 ZINC000176586997 655250124 /nfs/dbraw/zinc/25/01/24/655250124.db2.gz HPHIEHHELLKWAM-LBPRGKRZSA-N 1 0 392.297 2.704 20 0 GFADRO C[N@H+](CC(=O)Nc1c(F)cc(F)cc1Br)[C@H]1CC[C@H](O)CC1 ZINC000275820436 655252598 /nfs/dbraw/zinc/25/25/98/655252598.db2.gz HGSACVMTUWOXEA-XYPYZODXSA-N 1 0 377.229 2.901 20 0 GFADRO CCOCCOc1ccc(Br)cc1C[NH2+]C[C@@]1(O)CCSC1 ZINC000176750493 655254944 /nfs/dbraw/zinc/25/49/44/655254944.db2.gz AOQKUWKVLVUXSG-INIZCTEOSA-N 1 0 390.343 2.822 20 0 GFADRO O=C(Nc1ccc(Br)cc1F)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000176777173 655256114 /nfs/dbraw/zinc/25/61/14/655256114.db2.gz ACIOBRHXONDKAE-LBPRGKRZSA-N 1 0 386.265 2.774 20 0 GFADRO Cc1cc(NC(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)ccc1Br ZINC000176777612 655256226 /nfs/dbraw/zinc/25/62/26/655256226.db2.gz ZRKJZMOWJRZVKN-CQSZACIVSA-N 1 0 382.302 2.944 20 0 GFADRO C[NH+](C)C1(CNC(=O)c2nn(-c3ccc(F)cc3)cc2Br)CCC1 ZINC000276085494 655261334 /nfs/dbraw/zinc/26/13/34/655261334.db2.gz XLWFNIIODXGCJN-UHFFFAOYSA-N 1 0 395.276 2.988 20 0 GFADRO O=C(CN1CC[NH+](CC/C=C/c2ccc(Br)cc2)CC1)NC1CC1 ZINC000117334144 655264501 /nfs/dbraw/zinc/26/45/01/655264501.db2.gz LDNLCHFSQYNKGJ-HNQUOIGGSA-N 1 0 392.341 2.749 20 0 GFADRO S=c1oc(Cc2cccs2)nn1CN1CC[NH+](C2CCOCC2)CC1 ZINC000177170731 655269978 /nfs/dbraw/zinc/26/99/78/655269978.db2.gz RCLLGULHALFDBF-UHFFFAOYSA-N 1 0 380.539 2.612 20 0 GFADRO C[C@@H](CNC(=O)C(=O)Nc1ccc(Br)cc1Cl)[N@H+](C)C1CC1 ZINC000118128274 655272395 /nfs/dbraw/zinc/27/23/95/655272395.db2.gz RLLJUIPQWROSDT-VIFPVBQESA-N 1 0 388.693 2.640 20 0 GFADRO CC[NH+](CC)CCN(C(=O)c1scc(C)c1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000276836840 655289523 /nfs/dbraw/zinc/28/95/23/655289523.db2.gz PIKUCEDTWQRCPP-CYBMUJFWSA-N 1 0 392.974 2.681 20 0 GFADRO Cc1cc(NC(=O)C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)ccc1Br ZINC000178018200 655295770 /nfs/dbraw/zinc/29/57/70/655295770.db2.gz WTOPELHIHXWBCD-TZMCWYRMSA-N 1 0 382.302 2.685 20 0 GFADRO CN(C)C(=O)CN1CCC([NH2+]Cc2ccc(Br)c(Cl)c2)CC1 ZINC000276983762 655296358 /nfs/dbraw/zinc/29/63/58/655296358.db2.gz SYVUOVNLZBREQG-UHFFFAOYSA-N 1 0 388.737 2.745 20 0 GFADRO C[NH+](C)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)c(F)c2)CC1 ZINC000277005144 655297602 /nfs/dbraw/zinc/29/76/02/655297602.db2.gz KLTPFLBOLDAFDE-LLVKDONJSA-N 1 0 379.295 2.693 20 0 GFADRO CS(=O)(=O)[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CSCCN1Cc1ccccc1 ZINC000277063596 655301148 /nfs/dbraw/zinc/30/11/48/655301148.db2.gz IFOYOMFDCWOSAU-IPMKNSEASA-N 1 0 382.595 2.549 20 0 GFADRO O=C(NC1CC[NH+](C2CC2)CC1)c1c(F)cccc1I ZINC000119395488 655302456 /nfs/dbraw/zinc/30/24/56/655302456.db2.gz PDHNBBGDTCRWCS-UHFFFAOYSA-N 1 0 388.224 2.787 20 0 GFADRO C[NH+](C)[C@H]1CCCN(C(=O)Cc2cccc(I)c2)CC1 ZINC000277131453 655304709 /nfs/dbraw/zinc/30/47/09/655304709.db2.gz GMCGMNKWBAAKBY-HNNXBMFYSA-N 1 0 386.277 2.776 20 0 GFADRO OC[C@@H](C[NH2+]C1CCC2(CC1)OCCO2)Cc1cccc(Br)c1 ZINC000277228572 655308643 /nfs/dbraw/zinc/30/86/43/655308643.db2.gz YMJFMCHLAOQTJD-OAHLLOKOSA-N 1 0 384.314 2.875 20 0 GFADRO C[C@H](C(=O)Nc1ccc(I)cc1)[N@H+](C)C[C@@H]1CCOC1 ZINC000178766533 655309496 /nfs/dbraw/zinc/30/94/96/655309496.db2.gz FYDPHZDKSQRJRJ-NEPJUHHUSA-N 1 0 388.249 2.587 20 0 GFADRO CCc1c(C(=O)NC[C@@H]2CCC[NH2+]2)cnn1-c1ccc(Br)cc1 ZINC000178758096 655309649 /nfs/dbraw/zinc/30/96/49/655309649.db2.gz BHZAIFMCALHKAC-ZDUSSCGKSA-N 1 0 377.286 2.679 20 0 GFADRO Brc1cc(C[N@@H+]2CCC[C@@H](C3OCCO3)C2)cc2c1OCCO2 ZINC000179368842 655313121 /nfs/dbraw/zinc/31/31/21/655313121.db2.gz QACFBTNQCQARQY-CYBMUJFWSA-N 1 0 384.270 2.805 20 0 GFADRO Cc1c(Br)cc(C(=O)N2CCC[C@H]2C[NH+]2CCCCC2)c(=O)n1C ZINC000277476358 655321727 /nfs/dbraw/zinc/32/17/27/655321727.db2.gz QLVKSHKMJDDLOR-AWEZNQCLSA-N 1 0 396.329 2.547 20 0 GFADRO C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CCCN1CCCC1=O ZINC000119958579 655322908 /nfs/dbraw/zinc/32/29/08/655322908.db2.gz BANCADLHKVKNLD-ZDUSSCGKSA-N 1 0 382.302 2.768 20 0 GFADRO CC[C@H](C)[N@H+](C)CCNS(=O)(=O)c1ccc(Br)c(C(C)=O)c1 ZINC000180268389 655324795 /nfs/dbraw/zinc/32/47/95/655324795.db2.gz OEJKJWIGFLBWRO-NSHDSACASA-N 1 0 391.331 2.660 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)c1cc(I)c(F)cc1F)C1CC1 ZINC000120106258 655327990 /nfs/dbraw/zinc/32/79/90/655327990.db2.gz RIVBSNPQZQWCAE-CYBMUJFWSA-N 1 0 394.203 2.639 20 0 GFADRO C[C@@H]([NH2+]CCCC(C)(C)C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000181091540 655332288 /nfs/dbraw/zinc/33/22/88/655332288.db2.gz XALKQMWWUKOYTD-CQSZACIVSA-N 1 0 390.571 2.889 20 0 GFADRO O=C1[C@H](c2cccc(Br)c2)CCN1CN1CC[NH+](CC2CC2)CC1 ZINC000839970383 661121454 /nfs/dbraw/zinc/12/14/54/661121454.db2.gz SGNUSTHIARNSJS-SFHVURJKSA-N 1 0 392.341 2.750 20 0 GFADRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000181385800 655336872 /nfs/dbraw/zinc/33/68/72/655336872.db2.gz PBQAFCWQIRXUAJ-UHFFFAOYSA-N 1 0 389.905 2.909 20 0 GFADRO C[NH+](C)C[C@@H]1CCN(S(=O)(=O)c2ccc(Cl)cc2Br)C1 ZINC000281872122 655339597 /nfs/dbraw/zinc/33/95/97/655339597.db2.gz MIULSBNMYKJUDQ-JTQLQIEISA-N 1 0 381.723 2.675 20 0 GFADRO CC(C)CO[C@H]1C[C@@H]([NH2+]CC2CCN(S(=O)(=O)C(F)F)CC2)C1(C)C ZINC000181953500 655341660 /nfs/dbraw/zinc/34/16/60/655341660.db2.gz YYYUVNLKGPMSSH-CABCVRRESA-N 1 0 382.517 2.680 20 0 GFADRO Cc1cccc(NC(=O)NCCCC[NH+]2CCN(C)CC2)c1Br ZINC000120770262 655343531 /nfs/dbraw/zinc/34/35/31/655343531.db2.gz FFOJACAYJPCHFF-UHFFFAOYSA-N 1 0 383.334 2.907 20 0 GFADRO O=C(c1cnn(-c2cccc(Br)c2)c1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000289363423 655347643 /nfs/dbraw/zinc/34/76/43/655347643.db2.gz ZMELZYVABBYYRF-SFHVURJKSA-N 1 0 389.297 2.851 20 0 GFADRO CC(C)(C)c1n[nH]cc1C[NH2+]CCNC(=O)c1ccc(Br)cc1 ZINC000121144397 655348165 /nfs/dbraw/zinc/34/81/65/655348165.db2.gz YEDUWTHJQBSTKH-UHFFFAOYSA-N 1 0 379.302 2.989 20 0 GFADRO COCCCN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc(C(F)F)cc1 ZINC000289438167 655349207 /nfs/dbraw/zinc/34/92/07/655349207.db2.gz DMJHSMGQRGSMMW-UHFFFAOYSA-N 1 0 376.469 2.746 20 0 GFADRO O=S1(=O)CCC([NH2+]CCCOc2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000291095236 655351021 /nfs/dbraw/zinc/35/10/21/655351021.db2.gz IIZFZHJBCMYNQZ-UHFFFAOYSA-N 1 0 386.823 2.690 20 0 GFADRO O[C@H](C[NH2+][C@H](c1cncc(Br)c1)C1CC1)COCC(F)(F)F ZINC000292847689 655355291 /nfs/dbraw/zinc/35/52/91/655355291.db2.gz FRSJGLJTKSPZIC-OLZOCXBDSA-N 1 0 383.208 2.825 20 0 GFADRO CC(C)[NH+](CCNc1cnn(-c2ccccn2)c(=O)c1Br)C(C)C ZINC000292909324 655356848 /nfs/dbraw/zinc/35/68/48/655356848.db2.gz YDMBROCYFCBEEZ-UHFFFAOYSA-N 1 0 394.317 2.921 20 0 GFADRO COC1(C[NH2+][C@H](C)c2ccc(Br)c(S(N)(=O)=O)c2)CCCC1 ZINC000297401221 655370383 /nfs/dbraw/zinc/37/03/83/655370383.db2.gz SMONDVGXRXDDIN-LLVKDONJSA-N 1 0 391.331 2.706 20 0 GFADRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)N(C)Cc1cc(Cl)cc(Cl)c1 ZINC000298124010 655372549 /nfs/dbraw/zinc/37/25/49/655372549.db2.gz WVIMNAMWHDRIJS-MLGOLLRUSA-N 1 0 386.323 2.750 20 0 GFADRO C[C@@H]1C[C@@H](N(C)C(=O)C(=O)N(C)Cc2c(Cl)cccc2Cl)CC[N@@H+]1C ZINC000298127216 655372617 /nfs/dbraw/zinc/37/26/17/655372617.db2.gz XBHSKRUZWUXVOH-OLZOCXBDSA-N 1 0 386.323 2.893 20 0 GFADRO CC(C)C[C@H](CNC(=O)OC(C)(C)C)[NH2+][C@H](C)C1CCS(=O)(=O)CC1 ZINC000187191994 655373092 /nfs/dbraw/zinc/37/30/92/655373092.db2.gz WIGUACKZAHDFAA-GDBMZVCRSA-N 1 0 376.563 2.729 20 0 GFADRO CC[C@@H]([NH2+][C@H](C)c1cc(Br)cc(C)c1O)C(=O)N1CCOCC1 ZINC000187286850 655373366 /nfs/dbraw/zinc/37/33/66/655373366.db2.gz VBTHKPVIYWDPRN-IUODEOHRSA-N 1 0 385.302 2.751 20 0 GFADRO CC[C@@H]([NH2+][C@@H](C)c1cc(Br)cc(C)c1O)C(=O)N1CCOCC1 ZINC000187286818 655373386 /nfs/dbraw/zinc/37/33/86/655373386.db2.gz VBTHKPVIYWDPRN-SWLSCSKDSA-N 1 0 385.302 2.751 20 0 GFADRO O=C1C[C@@]2(CCOC2)CN1C[N@H+]1CC[C@@H](Cc2ccc(Br)cc2)C1 ZINC000840082585 661129871 /nfs/dbraw/zinc/12/98/71/661129871.db2.gz DRWBLTMRVSVZFN-LPHOPBHVSA-N 1 0 393.325 2.910 20 0 GFADRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)C(=O)Nc1cc(Cl)c(N)c(Cl)c1 ZINC000299090136 655374401 /nfs/dbraw/zinc/37/44/01/655374401.db2.gz UMADMNUZZJMOPX-PWSUYJOCSA-N 1 0 385.295 2.599 20 0 GFADRO C[C@@H](Cc1ccccc1F)[NH2+]CC1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000188001977 655377589 /nfs/dbraw/zinc/37/75/89/655377589.db2.gz XASFLYIIWSDVMX-LBPRGKRZSA-N 1 0 382.423 2.908 20 0 GFADRO CN(CC1([NH+](C)C)CCC1)C(=O)/C=C/c1ccc(I)o1 ZINC000188056487 655377892 /nfs/dbraw/zinc/37/78/92/655377892.db2.gz AIVHHVSRLNUXBJ-SOFGYWHQSA-N 1 0 388.249 2.840 20 0 GFADRO C[N@@H+]1CCC[C@@]2(CCN(CN3Cc4ccc(Br)cc4C3=O)C2)C1 ZINC000840087421 661130603 /nfs/dbraw/zinc/13/06/03/661130603.db2.gz SDMQQVSYCVOCBX-GOSISDBHSA-N 1 0 378.314 2.780 20 0 GFADRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NCC[N@@H+](C)C1CCCC1 ZINC000325366167 655384522 /nfs/dbraw/zinc/38/45/22/655384522.db2.gz RBFCUHIMELLIFO-UHFFFAOYSA-N 1 0 375.878 2.709 20 0 GFADRO O=C1N[C@@H](c2ccc(Br)cc2)C(=O)N1C1CC[NH+](C2CC2)CC1 ZINC000349187681 655388551 /nfs/dbraw/zinc/38/85/51/655388551.db2.gz KMFFUBYCMXRWKL-HNNXBMFYSA-N 1 0 378.270 2.669 20 0 GFADRO O=C1N[C@@H](c2ccc(Br)cc2)C(=O)N1C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000349228407 655388746 /nfs/dbraw/zinc/38/87/46/655388746.db2.gz WTJJTNZEBGZKQC-NHYWBVRUSA-N 1 0 378.270 2.526 20 0 GFADRO O=C1CN(Cc2cccc(Br)c2)C(=O)N1[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000349364024 655389493 /nfs/dbraw/zinc/38/94/93/655389493.db2.gz LQVUCBGPVMSKOO-HOTGVXAUSA-N 1 0 392.297 2.840 20 0 GFADRO O=C(C[NH2+][C@@H]1c2ccccc2CC[C@H]1CO)Nc1ccc(Br)cn1 ZINC000365226620 655392391 /nfs/dbraw/zinc/39/23/91/655392391.db2.gz XKCPEJMACUTPAC-UGSOOPFHSA-N 1 0 390.281 2.668 20 0 GFADRO CC(=O)N1CC(C(=O)O[C@@H]2CCCN(Cc3ccc(Cl)c(Cl)c3)C2)C1 ZINC000190829480 655395151 /nfs/dbraw/zinc/39/51/51/655395151.db2.gz AVGLWWYKKSZPMG-OAHLLOKOSA-N 1 0 385.291 2.979 20 0 GFADRO O=C(Cc1csc(-c2cccs2)n1)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000366196077 655399648 /nfs/dbraw/zinc/39/96/48/655399648.db2.gz PIANPVMMABAIGW-HNNXBMFYSA-N 1 0 377.535 2.784 20 0 GFADRO C[C@@H](COCC(F)(F)F)NC(=O)[C@@H]1C[N@@H+](C(C)(C)C)C[C@H]1C(F)(F)F ZINC000366595375 655400372 /nfs/dbraw/zinc/40/03/72/655400372.db2.gz GIEUARZVXKSDHW-HBNTYKKESA-N 1 0 378.357 2.979 20 0 GFADRO CCCS(=O)(=O)CC[NH2+][C@@H]1CCN(CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000374763390 655401945 /nfs/dbraw/zinc/40/19/45/655401945.db2.gz FSNWRPWGSDAVRQ-NVXWUHKLSA-N 1 0 378.460 2.654 20 0 GFADRO O=C(NCC[C@@H]1CC[NH2+]C1)N[C@@H](CO)c1ccc(Cl)cc1C(F)(F)F ZINC000418331208 655405563 /nfs/dbraw/zinc/40/55/63/655405563.db2.gz DKFHZJJQAQHJBN-HZMBPMFUSA-N 1 0 379.810 2.691 20 0 GFADRO C[C@@H](C[NH3+])CNC(=O)C(=O)N1CCC(=Cc2cc(Cl)ccc2Cl)CC1 ZINC000419935665 655407249 /nfs/dbraw/zinc/40/72/49/655407249.db2.gz CUCYMSPXEHSHTI-LBPRGKRZSA-N 1 0 384.307 2.710 20 0 GFADRO Cn1ccnc1[C@@H]1CCC[N@H+](C[C@H](O)COc2ccc(Br)cc2)C1 ZINC000444801993 655409767 /nfs/dbraw/zinc/40/97/67/655409767.db2.gz LQSFXROXLJXZJQ-ZBFHGGJFSA-N 1 0 394.313 2.802 20 0 GFADRO CC[C@H]([NH2+]C[C@H]1CS(=O)(=O)CCO1)c1ccc(Br)cc1Cl ZINC000517843093 655418908 /nfs/dbraw/zinc/41/89/08/655418908.db2.gz VIEQHLLRQSRNAE-FZMZJTMJSA-N 1 0 396.734 2.957 20 0 GFADRO COC(=O)c1c2cnn(C[N@H+]3CC[C@@H](OC)[C@H](C)C3)c2ccc1Br ZINC000840127886 661137502 /nfs/dbraw/zinc/13/75/02/661137502.db2.gz ZLTHMRNFEGMGFA-IAQYHMDHSA-N 1 0 396.285 2.900 20 0 GFADRO C[C@H](N[C@@H]1CC[NH2+]C12CCC2)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000530214767 655420467 /nfs/dbraw/zinc/42/04/67/655420467.db2.gz CQVKAJJOZGVFJF-LKFCYVNXSA-N 1 0 378.325 2.576 20 0 GFADRO Cn1cc(NC(=O)[C@H]2CC[N@H+](Cc3ccccc3)C2)cc(Br)c1=O ZINC000553187728 655422192 /nfs/dbraw/zinc/42/21/92/655422192.db2.gz KTWBCWGLFKUZRR-AWEZNQCLSA-N 1 0 390.281 2.608 20 0 GFADRO O[C@@H](C[NH2+]C[C@@H]1CSCCS1)COc1ccc(Br)cc1 ZINC000229600380 655423385 /nfs/dbraw/zinc/42/33/85/655423385.db2.gz RXFWIAPLJGYCSY-GXTWGEPZSA-N 1 0 378.357 2.627 20 0 GFADRO C[C@@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000560655647 655423568 /nfs/dbraw/zinc/42/35/68/655423568.db2.gz WYQIJXPCYUFPSP-AAEUAGOBSA-N 1 0 384.307 2.866 20 0 GFADRO CC(C)OC(=O)[C@@H](C)C[NH2+]C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000566063107 655424501 /nfs/dbraw/zinc/42/45/01/655424501.db2.gz CSIHAZWSVLXUJU-FZMZJTMJSA-N 1 0 392.265 2.505 20 0 GFADRO CC(=O)N[C@@H](CC(=O)N[C@](C)(C[NH3+])CC(C)C)c1ccc(Br)cc1 ZINC000236672819 655424760 /nfs/dbraw/zinc/42/47/60/655424760.db2.gz PPJJMTCZGKVRSS-WMZOPIPTSA-N 1 0 398.345 2.896 20 0 GFADRO O=C(CC[NH2+]CCOc1ncccc1F)Nc1cccc(Br)c1 ZINC000574151354 655425582 /nfs/dbraw/zinc/42/55/82/655425582.db2.gz LVBXZXAXGKEKLL-UHFFFAOYSA-N 1 0 382.233 2.980 20 0 GFADRO C[C@@H](C[NH3+])N(C)C(=O)c1cc(I)cc(C(F)(F)F)c1 ZINC000237456770 655426248 /nfs/dbraw/zinc/42/62/48/655426248.db2.gz BGBOATDUVORGTK-ZETCQYMHSA-N 1 0 386.155 2.729 20 0 GFADRO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)N1CCC(C[NH3+])CC1 ZINC000237734262 655426555 /nfs/dbraw/zinc/42/65/55/655426555.db2.gz LHMDTFHKXWWKIY-UHFFFAOYSA-N 1 0 379.254 2.675 20 0 GFADRO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)NC1CCC([NH3+])CC1 ZINC000237774351 655426579 /nfs/dbraw/zinc/42/65/79/655426579.db2.gz XKIPAIIUZCPEPE-UHFFFAOYSA-N 1 0 379.254 2.864 20 0 GFADRO Cc1ccc(-n2nc(Br)cc2C(=O)N2CCC[C@H](C[NH3+])C2)cc1 ZINC000237821643 655426602 /nfs/dbraw/zinc/42/66/02/655426602.db2.gz WAVZHMIUXVCKKN-CYBMUJFWSA-N 1 0 377.286 2.754 20 0 GFADRO O=C(c1cc(I)cc(C(F)(F)F)c1)N1CCC[NH2+]CC1 ZINC000237826919 655426727 /nfs/dbraw/zinc/42/67/27/655426727.db2.gz OUKPALVCLLCOJU-UHFFFAOYSA-N 1 0 398.166 2.746 20 0 GFADRO C[C@]1(n2cc(C[NH2+][C@H]3CCc4sc(Cl)cc43)cn2)CCS(=O)(=O)C1 ZINC000574242214 655427041 /nfs/dbraw/zinc/42/70/41/655427041.db2.gz AVYMJRKXFMNOTF-BBRMVZONSA-N 1 0 385.942 2.909 20 0 GFADRO CN(C(=O)[C@H]1CC1(Cl)Cl)[C@@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000245716907 655428340 /nfs/dbraw/zinc/42/83/40/655428340.db2.gz OTDIBGHBRUBQHJ-BZUAXINKSA-N 1 0 376.372 2.976 20 0 GFADRO COc1cc([C@H](C)[NH2+]C[C@H]2CCC[C@@H](O)C2)ccc1S(=O)(=O)C(F)F ZINC000248121864 655432278 /nfs/dbraw/zinc/43/22/78/655432278.db2.gz NLQOAWOTXOABMH-SGMGOOAPSA-N 1 0 377.453 2.893 20 0 GFADRO COc1cc(OCC[NH+](C)C)ccc1NC(=O)c1cc(Br)c[nH]1 ZINC000575149982 655436175 /nfs/dbraw/zinc/43/61/75/655436175.db2.gz TUULAAISNJOYBY-UHFFFAOYSA-N 1 0 382.258 2.979 20 0 GFADRO CC[NH+](CC)CCS(=O)(=O)N(C)Cc1cc(Br)ccc1F ZINC000575166613 655436539 /nfs/dbraw/zinc/43/65/39/655436539.db2.gz QSAASCYFEMHMSY-UHFFFAOYSA-N 1 0 381.311 2.692 20 0 GFADRO Cc1c(Br)cccc1C[C@H](CO)C[NH2+]C[C@@H](O)CC(F)(F)F ZINC000575180807 655436838 /nfs/dbraw/zinc/43/68/38/655436838.db2.gz DFOSDNBYGGYYBI-AAEUAGOBSA-N 1 0 384.236 2.811 20 0 GFADRO CCOC(=O)COc1c(Br)cc(C)cc1CN1CCC[C@H]([NH2+]C)C1 ZINC000261994359 655443371 /nfs/dbraw/zinc/44/33/71/655443371.db2.gz KPQICKXCFZBGCV-HNNXBMFYSA-N 1 0 399.329 2.883 20 0 GFADRO C[C@@H]1C[NH2+]CC[C@@H]1NS(=O)(=O)c1cc(Cl)c(Br)cc1F ZINC000262756974 655446971 /nfs/dbraw/zinc/44/69/71/655446971.db2.gz IEHPPLVCYFSLRQ-HQJQHLMTSA-N 1 0 385.686 2.518 20 0 GFADRO C[NH+](C)C[C@@H]1CCCN1C(=O)CSc1nncn1-c1cccc(Cl)c1 ZINC000263924281 655454055 /nfs/dbraw/zinc/45/40/55/655454055.db2.gz QNCXELHIVZIGHY-HNNXBMFYSA-N 1 0 379.917 2.565 20 0 GFADRO COc1ccc(Cl)cc1[C@H](C)[NH2+]C[C@@H]1CCCCN1S(=O)(=O)N(C)C ZINC000576903411 655454422 /nfs/dbraw/zinc/45/44/22/655454422.db2.gz FPAOGUZQQGUHBL-ZFWWWQNUSA-N 1 0 389.949 2.660 20 0 GFADRO CN(C)c1ncc(C[NH2+][C@@H]2CCN(c3ccc(Br)cc3)C2)cn1 ZINC000264115807 655457515 /nfs/dbraw/zinc/45/75/15/655457515.db2.gz UPMIDTZWMSSLPW-OAHLLOKOSA-N 1 0 376.302 2.674 20 0 GFADRO Nc1c(Br)cc(Br)cc1C[N@H+](CCO)CC1CC1 ZINC000577562161 655461790 /nfs/dbraw/zinc/46/17/90/655461790.db2.gz SEKZTGLQLFCCEM-UHFFFAOYSA-N 1 0 378.108 2.998 20 0 GFADRO CC[C@H](C(=O)Nc1cc(Br)cn(C)c1=O)[N@H+](C)Cc1ccccc1 ZINC000577565887 655461957 /nfs/dbraw/zinc/46/19/57/655461957.db2.gz QUDALUOBCMUWLG-MRXNPFEDSA-N 1 0 392.297 2.997 20 0 GFADRO Cc1c(Br)cc(C(=O)Nc2ccccc2C[NH+](C)C)c(=O)n1C ZINC000577571700 655462151 /nfs/dbraw/zinc/46/21/51/655462151.db2.gz QGAVOEMCOVXEFD-UHFFFAOYSA-N 1 0 378.270 2.770 20 0 GFADRO O=C(CC[N@@H+]1CCC[C@@H](N2CCOCC2)C1)Nc1ccccc1Br ZINC000577646639 655463669 /nfs/dbraw/zinc/46/36/69/655463669.db2.gz RECAEHCFRSTEGP-OAHLLOKOSA-N 1 0 396.329 2.574 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)N[C@H](C)CC[NH+](C)C ZINC000264477484 655464501 /nfs/dbraw/zinc/46/45/01/655464501.db2.gz WKVVRWQEOAXRJF-HUUCEWRRSA-N 1 0 386.583 2.807 20 0 GFADRO CCc1nn(C)c(CC)c1C[NH2+]C[C@H](O)COc1ccc(Br)cc1 ZINC000577741600 655466248 /nfs/dbraw/zinc/46/62/48/655466248.db2.gz RGUVPDXUYPOVLH-AWEZNQCLSA-N 1 0 396.329 2.837 20 0 GFADRO C[C@H](CNC(=O)N1CCC(CC[NH3+])CC1)Oc1cccc(Br)c1 ZINC000577759422 655466522 /nfs/dbraw/zinc/46/65/22/655466522.db2.gz GUKXPSGSNUMNJK-CYBMUJFWSA-N 1 0 384.318 2.987 20 0 GFADRO COCC[N@@H+]1CC[C@H](NC(=O)Cc2csc(-c3ccc(Cl)cc3)n2)C1 ZINC000264598217 655466712 /nfs/dbraw/zinc/46/67/12/655466712.db2.gz XGXAWVUPVWSPQE-HNNXBMFYSA-N 1 0 379.913 2.843 20 0 GFADRO CC(C)[N@H+](C[C@H]1CCC(=O)N1)Cn1ccc(=O)c2cccc(Br)c21 ZINC000840186729 661145064 /nfs/dbraw/zinc/14/50/64/661145064.db2.gz DCFQKFPWTCUZLO-CYBMUJFWSA-N 1 0 392.297 2.711 20 0 GFADRO O=C(NC[C@H]1C[NH2+]CCCO1)Nc1cc(F)c(Br)cc1Cl ZINC000577839436 655468126 /nfs/dbraw/zinc/46/81/26/655468126.db2.gz JUMSJDQSVGCFSE-MRVPVSSYSA-N 1 0 380.645 2.742 20 0 GFADRO O=C(NCC1CC[NH2+]CC1)C(=O)Nc1cccnc1-c1ccc(Cl)s1 ZINC000577839019 655468191 /nfs/dbraw/zinc/46/81/91/655468191.db2.gz JBYSVQFKEYMDAE-UHFFFAOYSA-N 1 0 378.885 2.518 20 0 GFADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1Cl ZINC000264723637 655469164 /nfs/dbraw/zinc/46/91/64/655469164.db2.gz GVQYMFIOGFXWIQ-GUTXKFCHSA-N 1 0 384.307 2.553 20 0 GFADRO Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000264726948 655469272 /nfs/dbraw/zinc/46/92/72/655469272.db2.gz IFPSSJFJORHZNI-HNNXBMFYSA-N 1 0 378.929 2.748 20 0 GFADRO C[C@@H](NC(=O)NC[C@@H]1C[N@H+](C)CCN1C)c1cc(F)c(Cl)cc1Cl ZINC000264754285 655469660 /nfs/dbraw/zinc/46/96/60/655469660.db2.gz RWNWHIVQIAEBJQ-GHMZBOCLSA-N 1 0 377.291 2.739 20 0 GFADRO NS(=O)(=O)c1cc(Cl)cc(C[NH2+][C@@H](c2ccccc2)[C@@H]2CCOC2)c1 ZINC000578135055 655473262 /nfs/dbraw/zinc/47/32/62/655473262.db2.gz PHMVNKZDIBFLEV-QAPCUYQASA-N 1 0 380.897 2.855 20 0 GFADRO CN(CCC[NH3+])C(=O)Nc1ccc(CCn2cc(Br)cn2)cc1 ZINC000578224678 655474450 /nfs/dbraw/zinc/47/44/50/655474450.db2.gz PTHQEZWNOXJRCI-UHFFFAOYSA-N 1 0 380.290 2.701 20 0 GFADRO Cc1cc(Br)c(O)c(NC(=O)[C@]2([NH3+])[C@@H]3CCCO[C@H]3C2(C)C)c1 ZINC000578235155 655474659 /nfs/dbraw/zinc/47/46/59/655474659.db2.gz MEKIHFHGJNWTCI-LGFNAOKASA-N 1 0 383.286 2.934 20 0 GFADRO CNc1cc(I)ccc1C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000578246406 655475025 /nfs/dbraw/zinc/47/50/25/655475025.db2.gz PWSWPCKJZCUEQC-UKRRQHHQSA-N 1 0 399.276 2.690 20 0 GFADRO CN(Cc1ccccc1Br)C(=O)CN1CC[NH+](C2CCC2)CC1 ZINC000264993173 655475528 /nfs/dbraw/zinc/47/55/28/655475528.db2.gz NJLZVQXGRMVTRA-UHFFFAOYSA-N 1 0 380.330 2.578 20 0 GFADRO C[C@H]1CS(=O)(=O)C[C@H]1[NH2+]Cc1ccc(Br)cc1C(F)(F)F ZINC000578276976 655475660 /nfs/dbraw/zinc/47/56/60/655475660.db2.gz JMZHWHNMQDCGBX-QPUJVOFHSA-N 1 0 386.233 2.991 20 0 GFADRO Cc1ccc(NC(=O)Cn2cc(Br)ccc2=O)c(C[NH+](C)C)c1 ZINC000265070500 655476828 /nfs/dbraw/zinc/47/68/28/655476828.db2.gz SASLGJFJLDTALX-UHFFFAOYSA-N 1 0 378.270 2.620 20 0 GFADRO CSc1ccc(OC[C@H](O)C[NH+]2CCC([C@@H](O)C(F)(F)F)CC2)cc1 ZINC000578441714 655479085 /nfs/dbraw/zinc/47/90/85/655479085.db2.gz IBXUUUNYOWKHHD-CZUORRHYSA-N 1 0 379.444 2.783 20 0 GFADRO CC[NH+](CC)CCNC(=O)c1ccc(OC(=O)[C@@H]2CSCCS2)cc1 ZINC000265278175 655480105 /nfs/dbraw/zinc/48/01/05/655480105.db2.gz OBCSYIBCKMYSLC-INIZCTEOSA-N 1 0 382.551 2.512 20 0 GFADRO CC[NH+](CC)CCS(=O)(=O)N[C@@H](C)c1ccc(Br)cc1OC ZINC000578700869 655484829 /nfs/dbraw/zinc/48/48/29/655484829.db2.gz LAWQWXPNHVOUEF-LBPRGKRZSA-N 1 0 393.347 2.780 20 0 GFADRO COCC[N@@H+]1CC[C@H](NC(=O)NCCc2nc3cc(Cl)ccc3s2)C1 ZINC000265713374 655489106 /nfs/dbraw/zinc/48/91/06/655489106.db2.gz MELPLXFTFASCHS-ZDUSSCGKSA-N 1 0 382.917 2.512 20 0 GFADRO O=C(COc1ccc(F)cc1Br)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000265973273 655494307 /nfs/dbraw/zinc/49/43/07/655494307.db2.gz JPIDCPLKYJYBNY-ZDUSSCGKSA-N 1 0 385.277 2.911 20 0 GFADRO C[NH2+]CC1CCN(C(=O)c2scc(C)c2I)CC1 ZINC000579120584 655494384 /nfs/dbraw/zinc/49/43/84/655494384.db2.gz ISQMBQDUQNKRMA-UHFFFAOYSA-N 1 0 378.279 2.733 20 0 GFADRO O=C(NCCC[NH2+]C[C@H](O)Cc1ccccc1)c1cccc(Br)c1 ZINC000579227428 655496091 /nfs/dbraw/zinc/49/60/91/655496091.db2.gz HDBRDYIMKKJDHE-GOSISDBHSA-N 1 0 391.309 2.762 20 0 GFADRO O=C(NCCNc1ncc(C(F)(F)F)cc1Cl)[C@H]1CC12CC[NH2+]CC2 ZINC000579232041 655496227 /nfs/dbraw/zinc/49/62/27/655496227.db2.gz GABHFWFDVXIMII-LLVKDONJSA-N 1 0 376.810 2.672 20 0 GFADRO O=S(=O)(CC[NH2+]C[C@H](O)C1CCCCC1)c1cccc(Br)c1 ZINC000579239794 655496361 /nfs/dbraw/zinc/49/63/61/655496361.db2.gz MFKTZTOCNUCDFK-INIZCTEOSA-N 1 0 390.343 2.754 20 0 GFADRO COc1cc(C)c(Br)cc1C(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C ZINC000579245639 655496559 /nfs/dbraw/zinc/49/65/59/655496559.db2.gz IJCQIBASVGEDCV-CYBMUJFWSA-N 1 0 399.329 2.683 20 0 GFADRO C[C@@H]([NH3+])[C@@H](C)NC(=O)c1ccccc1Sc1ccc(S(C)(=O)=O)cc1 ZINC000579247722 655496690 /nfs/dbraw/zinc/49/66/90/655496690.db2.gz UFJNAARGGVEHQE-CHWSQXEVSA-N 1 0 378.519 2.707 20 0 GFADRO CCCC[N@H+](C)C[C@@H](C)NC(=O)C(=O)Nc1cc(Br)ccc1C ZINC000579294315 655497099 /nfs/dbraw/zinc/49/70/99/655497099.db2.gz KTAVTWAMADOATG-CYBMUJFWSA-N 1 0 384.318 2.933 20 0 GFADRO O[C@H](C[NH2+]Cc1cn2ccc(Br)cc2n1)COc1ccc(F)cc1 ZINC000579294251 655497183 /nfs/dbraw/zinc/49/71/83/655497183.db2.gz KGTBUVXQLAQAGD-OAHLLOKOSA-N 1 0 394.244 2.765 20 0 GFADRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1S(=O)(=O)c1ccc(Br)c(F)c1 ZINC000579389064 655498793 /nfs/dbraw/zinc/49/87/93/655498793.db2.gz XNMDBKRTSGHMCL-IAQYHMDHSA-N 1 0 391.306 2.836 20 0 GFADRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)C(=O)Nc3cc(Cl)c(Cl)cc3Cl)C[C@@H]12 ZINC000579449543 655499948 /nfs/dbraw/zinc/49/99/48/655499948.db2.gz GNLUWKWCJZEIGI-JOAULVNJSA-N 1 0 376.671 2.781 20 0 GFADRO C[C@@H]1Cc2cc(S(=O)(=O)N3C[C@@H]([NH3+])Cc4ccccc43)cc(Cl)c2O1 ZINC000579450712 655499970 /nfs/dbraw/zinc/49/99/70/655499970.db2.gz KIAOVINESAZEHB-RISCZKNCSA-N 1 0 378.881 2.742 20 0 GFADRO O=S(=O)(NCCC[C@H]1CCC[NH2+]1)c1ccc(Br)cc1Cl ZINC000579591930 655501922 /nfs/dbraw/zinc/50/19/22/655501922.db2.gz UYXKFWYFVOKIEP-LLVKDONJSA-N 1 0 381.723 2.913 20 0 GFADRO Cc1ccc(I)c(C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000579700745 655502605 /nfs/dbraw/zinc/50/26/05/655502605.db2.gz CFHOMULMISMOLO-NJZAAPMLSA-N 1 0 384.261 2.799 20 0 GFADRO CNC(=O)c1cccc(C[NH2+]C[C@@H](O)COc2c(Cl)cccc2Cl)c1 ZINC000580184661 655509598 /nfs/dbraw/zinc/50/95/98/655509598.db2.gz NGLGDNWCSPTCAB-CQSZACIVSA-N 1 0 383.275 2.883 20 0 GFADRO Cc1cccc(C(=O)N2CCC([NH+]3CCC3)CC2)c1I ZINC000700420999 655521519 /nfs/dbraw/zinc/52/15/19/655521519.db2.gz YAFJDHZERFONFH-UHFFFAOYSA-N 1 0 384.261 2.910 20 0 GFADRO Cc1sc(Br)cc1S(=O)(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000709817093 655522396 /nfs/dbraw/zinc/52/23/96/655522396.db2.gz IIHFVWBBNCQZQY-CYBMUJFWSA-N 1 0 379.345 2.583 20 0 GFADRO CC(C)[C@@H](C[NH2+]Cc1cn(C)nc1Br)NC(=O)OC(C)(C)C ZINC000712459062 655522702 /nfs/dbraw/zinc/52/27/02/655522702.db2.gz JMVNFMRWTCBFBK-GFCCVEGCSA-N 1 0 375.311 2.822 20 0 GFADRO C[C@H]([NH2+]CC[C@H]1CCCS1(=O)=O)c1ccc(I)cc1 ZINC000714338309 655522931 /nfs/dbraw/zinc/52/29/31/655522931.db2.gz BIJPDZDRLQTPJY-SMDDNHRTSA-N 1 0 393.290 2.909 20 0 GFADRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NS(=O)(=O)Cc2ccc(Cl)nc2)C1 ZINC000725827121 655527410 /nfs/dbraw/zinc/52/74/10/655527410.db2.gz MIDRHASNNFWSRX-YOEHRIQHSA-N 1 0 379.913 2.990 20 0 GFADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1cc2c(cc(Br)cc2F)[nH]1 ZINC000725896635 655528531 /nfs/dbraw/zinc/52/85/31/655528531.db2.gz MRRYQNRZHICZHJ-NWDGAFQWSA-N 1 0 396.260 2.663 20 0 GFADRO C[N@@H+]1CCC[C@H]1CNC(=O)N1CCO[C@H](c2ccccc2Br)C1 ZINC000726245113 655532463 /nfs/dbraw/zinc/53/24/63/655532463.db2.gz YCPBYEKNPJPKCQ-BBRMVZONSA-N 1 0 382.302 2.626 20 0 GFADRO CC[N@H+](CCNC(=O)Nc1cc2c(cc1Br)OCCO2)C1CC1 ZINC000726279176 655532863 /nfs/dbraw/zinc/53/28/63/655532863.db2.gz AIVPNNGAWLXHBT-UHFFFAOYSA-N 1 0 384.274 2.826 20 0 GFADRO C[C@H](NC(=S)NCc1ccc(N2CC[NH+](C)CC2)nc1)c1cccs1 ZINC000726453396 655534617 /nfs/dbraw/zinc/53/46/17/655534617.db2.gz DKAGKMFQUGCNOK-AWEZNQCLSA-N 1 0 375.567 2.620 20 0 GFADRO OCCCCC[NH+]1CCN(c2ncnc3ccc(Br)cc32)CC1 ZINC000727025960 655540717 /nfs/dbraw/zinc/54/07/17/655540717.db2.gz PVKMLMLSXXTKBM-UHFFFAOYSA-N 1 0 379.302 2.677 20 0 GFADRO C[NH+](C)CC(C)(C)CNC(=S)NCC(=O)Nc1cc(Cl)ccc1Cl ZINC000727067450 655541124 /nfs/dbraw/zinc/54/11/24/655541124.db2.gz DWMAYQBEVLTHMN-UHFFFAOYSA-N 1 0 391.368 2.984 20 0 GFADRO CS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)c1 ZINC000727097393 655542091 /nfs/dbraw/zinc/54/20/91/655542091.db2.gz WFBXTNTUDHALIW-UHFFFAOYSA-N 1 0 376.825 2.577 20 0 GFADRO O=S(=O)(/C=C/c1ccccc1Br)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000727456169 655545795 /nfs/dbraw/zinc/54/57/95/655545795.db2.gz HXOSYYPCEQDISC-INDWDQIESA-N 1 0 385.327 2.920 20 0 GFADRO CC(C)C[N@H+](C)CN1C(=O)N[C@@](C)(c2ccc(F)cc2Br)C1=O ZINC000727822032 655549710 /nfs/dbraw/zinc/54/97/10/655549710.db2.gz CXCUTWQWBVKVBR-INIZCTEOSA-N 1 0 386.265 2.901 20 0 GFADRO CC/C=C(/C)C(=O)N1CSC[C@@H]1C(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000728021653 655551740 /nfs/dbraw/zinc/55/17/40/655551740.db2.gz IZJFCZVTRKUISS-CMKFXNONSA-N 1 0 381.567 2.725 20 0 GFADRO C[C@@H]1C[C@@H](C)C[NH+](CCCNS(=O)(=O)c2c(Cl)nc3sccn32)C1 ZINC000728582630 655557025 /nfs/dbraw/zinc/55/70/25/655557025.db2.gz VBFPYPHFOAOYPO-VXGBXAGGSA-N 1 0 390.962 2.696 20 0 GFADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)N[C@H]1CCc2c1cccc2Br ZINC000729501135 655565517 /nfs/dbraw/zinc/56/55/17/655565517.db2.gz HIJKRHKYLBNIKD-AHIWAGSCSA-N 1 0 394.313 2.599 20 0 GFADRO O=C(Cc1ccccc1Br)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000729626419 655566151 /nfs/dbraw/zinc/56/61/51/655566151.db2.gz YTLWDPSFFQOVSI-INIZCTEOSA-N 1 0 381.314 2.751 20 0 GFADRO O=C(CCc1nc2cc(Cl)ccc2s1)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000730539782 655576276 /nfs/dbraw/zinc/57/62/76/655576276.db2.gz SHJFTDBEEVDJGR-KGLIPLIRSA-N 1 0 379.913 2.862 20 0 GFADRO C[NH+](C)CCNC(=S)NNc1ccc(Br)cc1C(F)(F)F ZINC000731490773 655583825 /nfs/dbraw/zinc/58/38/25/655583825.db2.gz TYQCWKALONLIIQ-UHFFFAOYSA-N 1 0 385.253 2.821 20 0 GFADRO CN([C@H]1CC[N@@H+](C2CC2)C1)S(=O)(=O)/C=C\c1cccc(Br)c1 ZINC000732227099 655593651 /nfs/dbraw/zinc/59/36/51/655593651.db2.gz VYAKLWHXDUPNSS-YHWKNFMLSA-N 1 0 385.327 2.918 20 0 GFADRO CN([C@@H]1CC[N@@H+](C2CC2)C1)S(=O)(=O)/C=C/c1cccc(Br)c1 ZINC000732227098 655593722 /nfs/dbraw/zinc/59/37/22/655593722.db2.gz VYAKLWHXDUPNSS-XAVKZTDYSA-N 1 0 385.327 2.918 20 0 GFADRO CC1CCN(C(=S)SCC(=O)NCC[N@H+](C)Cc2ccccc2)CC1 ZINC000732571068 655598061 /nfs/dbraw/zinc/59/80/61/655598061.db2.gz LLORXRYWZRPOND-UHFFFAOYSA-N 1 0 379.595 2.985 20 0 GFADRO CO[C@H](CNC(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1)C(F)(F)F ZINC000733345505 655613017 /nfs/dbraw/zinc/61/30/17/655613017.db2.gz XAJBYENRUDOEMD-TZMCWYRMSA-N 1 0 379.448 2.837 20 0 GFADRO CO[C@@H](CNC(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1)C(F)(F)F ZINC000733345504 655613046 /nfs/dbraw/zinc/61/30/46/655613046.db2.gz XAJBYENRUDOEMD-OCCSQVGLSA-N 1 0 379.448 2.837 20 0 GFADRO C[NH+](C)CCNC(=S)N1CCC(C(=O)Nc2ccc(F)c(Cl)c2)CC1 ZINC000733751488 655620834 /nfs/dbraw/zinc/62/08/34/655620834.db2.gz DXCWWVMZJQADMU-UHFFFAOYSA-N 1 0 386.924 2.566 20 0 GFADRO Cc1ccc(/C=C\C(=O)NCCCN2CCC[N@@H+](C)CC2)c(Br)c1 ZINC000733978903 655624678 /nfs/dbraw/zinc/62/46/78/655624678.db2.gz FUCBFESUXIEMGF-FPLPWBNLSA-N 1 0 394.357 2.915 20 0 GFADRO O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccc(Br)cc1O ZINC000734242521 655628536 /nfs/dbraw/zinc/62/85/36/655628536.db2.gz IRENOHFZMPERBY-AWEZNQCLSA-N 1 0 383.286 2.528 20 0 GFADRO CCCC[N@H+](C)CCNC(=O)C(=O)Nc1cccc(C2SCCS2)c1 ZINC000735586922 655649194 /nfs/dbraw/zinc/64/91/94/655649194.db2.gz GBSIUEMBIYYYAN-UHFFFAOYSA-N 1 0 381.567 2.952 20 0 GFADRO CCCC(O)(CCC)C[NH2+]Cc1c(C)nn([C@H]2CCS(=O)(=O)C2)c1Cl ZINC000738438774 655690933 /nfs/dbraw/zinc/69/09/33/655690933.db2.gz CVJKVTONPRFHIK-AWEZNQCLSA-N 1 0 391.965 2.625 20 0 GFADRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)CN1C(=S)N=NC1c1cccs1 ZINC000742137595 655710324 /nfs/dbraw/zinc/71/03/24/655710324.db2.gz NEXFHZYBNVDPFZ-ZDUSSCGKSA-N 1 0 379.555 2.628 20 0 GFADRO CC[NH+]1CCC(N(C)C(=O)COc2ccc(C=O)cc2Br)CC1 ZINC000742619426 655719668 /nfs/dbraw/zinc/71/96/68/655719668.db2.gz UXVHZBSXOSJHFU-UHFFFAOYSA-N 1 0 383.286 2.583 20 0 GFADRO CCC[N@H+](C)C[C@@H]1CCN(CN2c3cccc(Br)c3C(=O)C2=O)C1 ZINC000743392975 655728627 /nfs/dbraw/zinc/72/86/27/655728627.db2.gz FPARNRWKVWUFIQ-ZDUSSCGKSA-N 1 0 394.313 2.600 20 0 GFADRO NS(=O)(=O)c1ccc(CC[N@@H+]2CC[C@@H](CSc3ccccc3)C2)cc1 ZINC000744419948 655740039 /nfs/dbraw/zinc/74/00/39/655740039.db2.gz UYHNDNJWBGIJPH-QGZVFWFLSA-N 1 0 376.547 2.991 20 0 GFADRO Cc1c(Br)cccc1C(=O)OCC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000745520314 655752496 /nfs/dbraw/zinc/75/24/96/655752496.db2.gz JZCKBRIGKDERIH-UHFFFAOYSA-N 1 0 395.297 2.657 20 0 GFADRO C[C@@H](NC(=O)CN1CC[NH+](CCCCO)CC1)c1ccc(Cl)cc1Cl ZINC000746488278 655762308 /nfs/dbraw/zinc/76/23/08/655762308.db2.gz PLDWMYCODHDNJS-CQSZACIVSA-N 1 0 388.339 2.561 20 0 GFADRO Cc1csc([C@@](O)(CC(=O)N[C@@H](C)C[NH+]2CCCCC2)C(F)(F)F)n1 ZINC000746828243 655767581 /nfs/dbraw/zinc/76/75/81/655767581.db2.gz CWTMLIPYAGFNLN-NHYWBVRUSA-N 1 0 379.448 2.582 20 0 GFADRO O[C@H](CNC1(c2cccc(Br)c2)CCOCC1)C[NH+]1CCCC1 ZINC000747682223 655781962 /nfs/dbraw/zinc/78/19/62/655781962.db2.gz VMKQHRCGDWVSJK-QGZVFWFLSA-N 1 0 383.330 2.501 20 0 GFADRO COC(=O)CCCNC(=S)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000747724438 655782511 /nfs/dbraw/zinc/78/25/11/655782511.db2.gz DMPRPVOQABTUQJ-INIZCTEOSA-N 1 0 383.945 2.894 20 0 GFADRO C[NH+](C)[C@H]1CCCN(C(=O)C(=O)Nc2cccc(C3SCCS3)c2)C1 ZINC000749692913 655806541 /nfs/dbraw/zinc/80/65/41/655806541.db2.gz PYWWWICXQPJJNQ-HNNXBMFYSA-N 1 0 379.551 2.656 20 0 GFADRO O=C(C[NH2+]Cc1ccc(Cl)nc1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000751502011 655830114 /nfs/dbraw/zinc/83/01/14/655830114.db2.gz WDNRCVXFQAVGEL-UHFFFAOYSA-N 1 0 379.291 2.827 20 0 GFADRO CCCc1cc[n+](C(C(=O)c2cnn(C)c2)C(=S)NCCSC)cc1 ZINC000751537102 655830674 /nfs/dbraw/zinc/83/06/74/655830674.db2.gz SUKKHHFCEUWHPS-UHFFFAOYSA-O 1 0 377.559 2.824 20 0 GFADRO CO[C@H](CNc1cc(NC[C@@H](OC)C(F)(F)F)[nH+]c(C)n1)C(F)(F)F ZINC000751888389 655835663 /nfs/dbraw/zinc/83/56/63/655835663.db2.gz FJKOJQIPPKPORW-RKDXNWHRSA-N 1 0 376.301 2.763 20 0 GFADRO C[C@@H]1C[NH+](CN2C(=O)N[C@](C)(c3ccc(F)cc3Br)C2=O)C[C@H]1C ZINC000751928668 655836234 /nfs/dbraw/zinc/83/62/34/655836234.db2.gz NTOKJYXDYPEURI-CZIZLABSSA-N 1 0 398.276 2.901 20 0 GFADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)N1CCc2cc(Cl)cc(Cl)c2C1 ZINC000752370505 655842713 /nfs/dbraw/zinc/84/27/13/655842713.db2.gz OGEWRLWJJDJRMP-GJZGRUSLSA-N 1 0 384.307 2.924 20 0 GFADRO COc1ccc(Br)c(NNC(=S)NCC2CC[NH+](C)CC2)c1 ZINC000840869400 661197095 /nfs/dbraw/zinc/19/70/95/661197095.db2.gz KUOCNSSEWDJDBV-UHFFFAOYSA-N 1 0 387.347 2.591 20 0 GFADRO CCOC(=O)N1CCC([NH2+]Cc2cc(Cl)cc(S(=O)(=O)CC)c2)CC1 ZINC000840844021 661194834 /nfs/dbraw/zinc/19/48/34/661194834.db2.gz QXBBTXGZWVEWFY-UHFFFAOYSA-N 1 0 388.917 2.844 20 0 GFADRO COC(=O)[C@H]1CN(C(=S)Nc2cc(Cl)cc(Cl)c2)CC[N@H+](C)C1 ZINC000840856180 661195903 /nfs/dbraw/zinc/19/59/03/661195903.db2.gz IDDHZCLGWJMMAA-SNVBAGLBSA-N 1 0 376.309 2.727 20 0 GFADRO C[NH+](C)[C@H]1CCN(c2ccc(NC(=O)c3scnc3Br)nc2)C1 ZINC000754368178 655866952 /nfs/dbraw/zinc/86/69/52/655866952.db2.gz ZRTSHMLTNUWZBX-NSHDSACASA-N 1 0 396.314 2.693 20 0 GFADRO COC(=O)C[C@@H]([NH2+]CC(=O)Nc1ccc(OC(F)F)c(Cl)c1)C1CC1 ZINC000754540944 655869399 /nfs/dbraw/zinc/86/93/99/655869399.db2.gz QCXMLIZSGPRYNH-GFCCVEGCSA-N 1 0 376.787 2.811 20 0 GFADRO C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+]CCC(C)(C)S(C)(=O)=O ZINC000840875790 661197473 /nfs/dbraw/zinc/19/74/73/661197473.db2.gz HVGNISQYNGIIJP-CABCVRRESA-N 1 0 376.563 2.825 20 0 GFADRO CC[C@@H]([NH2+]CCC(C)(C)S(C)(=O)=O)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000840876501 661197838 /nfs/dbraw/zinc/19/78/38/661197838.db2.gz NPCJJNQMOJGDND-HUUCEWRRSA-N 1 0 376.563 2.967 20 0 GFADRO C[C@H]([NH2+]CCS(=O)(=O)C1CC1)c1ccc(I)cc1 ZINC000840883735 661198147 /nfs/dbraw/zinc/19/81/47/661198147.db2.gz WJIDKLQTJDQSKZ-JTQLQIEISA-N 1 0 379.263 2.519 20 0 GFADRO C[C@H]([NH2+]CC1(CS(C)(=O)=O)CCC1)c1cc(Br)ncc1F ZINC000840888985 661198992 /nfs/dbraw/zinc/19/89/92/661198992.db2.gz CYFUGRNZXZERRJ-JTQLQIEISA-N 1 0 379.295 2.849 20 0 GFADRO CCOC(=O)C(F)(F)[C@@H]1CCC[C@H]([NH2+]CC2(CS(C)(=O)=O)CCC2)C1 ZINC000840891739 661200056 /nfs/dbraw/zinc/20/00/56/661200056.db2.gz ZXPNOVRMGRJLQX-KGLIPLIRSA-N 1 0 381.485 2.548 20 0 GFADRO CCOC(=O)c1sc([C@H](C)NC(=S)NC[C@@H]2CCC[N@@H+]2CC)nc1C ZINC000756800947 655905425 /nfs/dbraw/zinc/90/54/25/655905425.db2.gz PMGYSIHHCIHQDR-STQMWFEESA-N 1 0 384.571 2.638 20 0 GFADRO CCCS(=O)(=O)N1CCC([NH2+]Cc2cc(C)ccc2OC(F)F)CC1 ZINC000756893156 655906397 /nfs/dbraw/zinc/90/63/97/655906397.db2.gz UKJYGMRHNFGIJT-UHFFFAOYSA-N 1 0 376.469 2.890 20 0 GFADRO COC(=O)c1cc(S(=O)(=O)NCC[NH+]2[C@@H](C)CCC[C@@H]2C)ccc1Cl ZINC000757489990 655912419 /nfs/dbraw/zinc/91/24/19/655912419.db2.gz DLHHTLKCDFLYHA-STQMWFEESA-N 1 0 388.917 2.668 20 0 GFADRO Cn1nc(Br)cc1C(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000760234031 655973371 /nfs/dbraw/zinc/97/33/71/655973371.db2.gz IJZBWGWGMBTYIM-UHFFFAOYSA-N 1 0 383.334 2.911 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)c2cnn(-c3ccccc3)c2Br)CC[N@@H+]1C ZINC000760314817 655975540 /nfs/dbraw/zinc/97/55/40/655975540.db2.gz LUCWUZMNRAMTCY-CHWSQXEVSA-N 1 0 377.286 2.847 20 0 GFADRO CC1CC[NH+](C2CCC(NC(=O)c3cnn(C)c3Br)CC2)CC1 ZINC000760407028 655979143 /nfs/dbraw/zinc/97/91/43/655979143.db2.gz BPARCDSNRZVKNA-UHFFFAOYSA-N 1 0 383.334 2.956 20 0 GFADRO C[NH+]1CCC(CNC(=S)NNc2ccc(Br)cc2F)CC1 ZINC000760484737 655982380 /nfs/dbraw/zinc/98/23/80/655982380.db2.gz SBNCBIZUHHMMMY-UHFFFAOYSA-N 1 0 375.311 2.721 20 0 GFADRO O=C(C[NH2+][C@@H](CO)C1CC1)N1N=C(c2cccs2)C[C@@H]1c1cccs1 ZINC000763072994 656070716 /nfs/dbraw/zinc/07/07/16/656070716.db2.gz VYGYTKNSSOJSIX-LSDHHAIUSA-N 1 0 375.519 2.848 20 0 GFADRO C[NH+](C)CCCOC1CCN(C(=O)N[C@@H]2CC[C@H]3SCCS[C@@H]23)CC1 ZINC000763067605 656070719 /nfs/dbraw/zinc/07/07/19/656070719.db2.gz VINPZVBEZCMWGC-ZACQAIPSSA-N 1 0 387.615 2.508 20 0 GFADRO C[NH+]1CCN(c2ccccc2NC(=O)c2ccncc2Br)CC1 ZINC000763226307 656076451 /nfs/dbraw/zinc/07/64/51/656076451.db2.gz HZGAAGBCXFBCEA-UHFFFAOYSA-N 1 0 375.270 2.848 20 0 GFADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)N1CCc2cc(Br)cc(F)c21 ZINC000764351774 656109081 /nfs/dbraw/zinc/10/90/81/656109081.db2.gz BWMTZOAIYMWLBC-ZIAGYGMSSA-N 1 0 398.276 2.524 20 0 GFADRO CC(C)C[N@@H+]1CCO[C@H](COC(=O)c2sc(N3CCCC3)nc2Cl)C1 ZINC000764774873 656119166 /nfs/dbraw/zinc/11/91/66/656119166.db2.gz ZLUONSFYXGKOBX-ZDUSSCGKSA-N 1 0 387.933 2.910 20 0 GFADRO OC[C@H](C[C@@H](O)c1ccccc1)[NH2+]Cc1cc(Br)cc2c1OCC2 ZINC000764978168 656124872 /nfs/dbraw/zinc/12/48/72/656124872.db2.gz RARSIBYWAOXUKQ-ZWKOTPCHSA-N 1 0 392.293 2.958 20 0 GFADRO O=C([C@@H](O)c1cc(Cl)cc(Cl)c1)N1CC[C@H](OCC[NH+]2CCCC2)C1 ZINC000765177585 656135478 /nfs/dbraw/zinc/13/54/78/656135478.db2.gz LIJQTTJEUHWSAT-IRXDYDNUSA-N 1 0 387.307 2.740 20 0 GFADRO CON(C)C(=O)[C@H](CCSC)[NH2+]Cc1sc2nc(C)nc(C)c2c1C ZINC000765266958 656139102 /nfs/dbraw/zinc/13/91/02/656139102.db2.gz NFQHEHBYMKSWCA-ZDUSSCGKSA-N 1 0 382.555 2.848 20 0 GFADRO C[NH+](C)[C@@]1(CNC(=O)N2Cc3ccc(Br)cc3C2)CCSC1 ZINC000765274283 656139253 /nfs/dbraw/zinc/13/92/53/656139253.db2.gz ADRFXSXLICACRA-MRXNPFEDSA-N 1 0 384.343 2.912 20 0 GFADRO COCC[NH+]1CCC(NC(=O)N2Cc3ccc(Br)cc3C2)CC1 ZINC000765277437 656139274 /nfs/dbraw/zinc/13/92/74/656139274.db2.gz TZPAJNJUOXZVBN-UHFFFAOYSA-N 1 0 382.302 2.585 20 0 GFADRO C[C@H](NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccccc1I ZINC000765795943 656152463 /nfs/dbraw/zinc/15/24/63/656152463.db2.gz GKLGMYOBAMCLRY-MELADBBJSA-N 1 0 386.277 2.805 20 0 GFADRO [NH3+]CCN(CCO)C(=O)Nc1ccccc1SC[C@@H]1CC1(Cl)Cl ZINC000841060825 661230706 /nfs/dbraw/zinc/23/07/06/661230706.db2.gz QPGPNODNUOYSCM-NSHDSACASA-N 1 0 378.325 2.757 20 0 GFADRO C[C@H]([NH2+]CCCOC[C@@H]1CCOC1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000766122045 656162362 /nfs/dbraw/zinc/16/23/62/656162362.db2.gz JSBYDAXYJYKHOM-KBPBESRZSA-N 1 0 377.453 2.777 20 0 GFADRO CC[NH+]1CCN(c2ccc(NC(=O)CSC3=N[C@H](C)CS3)cc2)CC1 ZINC000766292529 656167655 /nfs/dbraw/zinc/16/76/55/656167655.db2.gz IPFUIXIKKWTAEA-CQSZACIVSA-N 1 0 378.567 2.992 20 0 GFADRO O=S(=O)(N1CCC(C[NH2+]C[C@H]2C[C@@H]2c2ccccc2)CC1)C(F)(F)F ZINC000767381408 656201109 /nfs/dbraw/zinc/20/11/09/656201109.db2.gz FEEGLRVMCMVFBD-HZPDHXFCSA-N 1 0 376.444 2.941 20 0 GFADRO [NH3+][C@H]1CCC[C@@H](NC(=O)Nc2cnc(Br)c(Br)c2)C1 ZINC000841142040 661237460 /nfs/dbraw/zinc/23/74/60/661237460.db2.gz LYDOGMRUYWNTIR-JGVFFNPUSA-N 1 0 392.095 2.998 20 0 GFADRO [NH3+]C[C@@H]1CC[C@H](NC(=O)Nc2cnc(Br)c(Br)c2)C1 ZINC000841143030 661237578 /nfs/dbraw/zinc/23/75/78/661237578.db2.gz WKUQXHRDJJMYLK-SFYZADRCSA-N 1 0 392.095 2.856 20 0 GFADRO C[NH+](C)[C@@H](CNC(=S)NC[C@@H]1CCOC1)c1cccc(C(F)(F)F)c1 ZINC000768786436 656251516 /nfs/dbraw/zinc/25/15/16/656251516.db2.gz SNQHSVDZCNGAND-WFASDCNBSA-N 1 0 375.460 2.809 20 0 GFADRO C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)Nc1cnc(Cl)c(Br)c1 ZINC000841187669 661242485 /nfs/dbraw/zinc/24/24/85/661242485.db2.gz XLPRQFMAUQYQSH-OIBJUYFYSA-N 1 0 377.670 2.732 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N(C)C2CCC([NH3+])CC2)cc1Br ZINC000841189186 661242981 /nfs/dbraw/zinc/24/29/81/661242981.db2.gz PRCPJGVXAQCPRP-UHFFFAOYSA-N 1 0 382.302 2.733 20 0 GFADRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)Nc1ccc2cc(Br)ccc2c1 ZINC000841218637 661245304 /nfs/dbraw/zinc/24/53/04/661245304.db2.gz UBUOFZMJMURBOS-BZNIZROVSA-N 1 0 390.281 2.655 20 0 GFADRO CN(C)C(=O)CC[NH+]1CCN(Cc2ccc(SC(F)(F)F)cc2)CC1 ZINC000769505906 656278568 /nfs/dbraw/zinc/27/85/68/656278568.db2.gz KEIDTCFMQCHXKU-UHFFFAOYSA-N 1 0 375.460 2.894 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CN(C(=O)Nc2ccc(OCC(F)(F)F)c(Cl)c2)CCO1 ZINC000841231611 661246479 /nfs/dbraw/zinc/24/64/79/661246479.db2.gz PXIOIFAKUIOKJD-ZANVPECISA-N 1 0 381.782 2.861 20 0 GFADRO C[C@H](C[NH+]1CCC(CCN(C)C(=O)OC(C)(C)C)CC1)CS(C)(=O)=O ZINC000769947811 656302092 /nfs/dbraw/zinc/30/20/92/656302092.db2.gz WNIQCLCFPVRSBT-OAHLLOKOSA-N 1 0 376.563 2.636 20 0 GFADRO O=C(c1cccnc1I)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000770498896 656321057 /nfs/dbraw/zinc/32/10/57/656321057.db2.gz IJZSZUFFJZXRFR-CYBMUJFWSA-N 1 0 399.276 2.634 20 0 GFADRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)c2cccnc2I)C1 ZINC000770552722 656322789 /nfs/dbraw/zinc/32/27/89/656322789.db2.gz OHYITCBWBCEDRR-GFCCVEGCSA-N 1 0 387.265 2.536 20 0 GFADRO COC(=O)C[C@]1([NH2+]Cc2cc(Br)cc3c2OCC3)CCCOC1 ZINC000770674117 656326401 /nfs/dbraw/zinc/32/64/01/656326401.db2.gz AMQFPAGXEPRXLP-QGZVFWFLSA-N 1 0 384.270 2.586 20 0 GFADRO COC(=O)C[C@@]1([NH2+]Cc2cc(Br)c(OC)s2)CCCOC1 ZINC000770675787 656326693 /nfs/dbraw/zinc/32/66/93/656326693.db2.gz FZSRSQONCDFUSD-AWEZNQCLSA-N 1 0 378.288 2.721 20 0 GFADRO CC(C)[NH+](CCCNC(=O)c1ccccc1S(=O)(=O)C(F)F)C(C)C ZINC000841399963 661260128 /nfs/dbraw/zinc/26/01/28/661260128.db2.gz PUAYFDWPWCWTQK-UHFFFAOYSA-N 1 0 376.469 2.922 20 0 GFADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)Nc1cc2c(cc1Br)CCC2 ZINC000772547969 656382604 /nfs/dbraw/zinc/38/26/04/656382604.db2.gz MGBDHDZZMUOPIE-LSDHHAIUSA-N 1 0 394.313 2.923 20 0 GFADRO CN1CC[NH+](CCCCNC(=O)C[C@H](O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000772594994 656383567 /nfs/dbraw/zinc/38/35/67/656383567.db2.gz NEJCFGDTPJOPPV-KRWDZBQOSA-N 1 0 388.339 2.561 20 0 GFADRO C[NH+](C)CCOC1CCN(C(=O)C[C@@H](O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000772688395 656385869 /nfs/dbraw/zinc/38/58/69/656385869.db2.gz JRWILOKLEKWQII-QGZVFWFLSA-N 1 0 389.323 2.986 20 0 GFADRO C[C@H]1CCCC[N@@H+]1CCCNS(=O)(=O)c1ccc2nc(Cl)cnc2c1 ZINC000772920149 656393498 /nfs/dbraw/zinc/39/34/98/656393498.db2.gz XUKSCSVOIWRXOW-ZDUSSCGKSA-N 1 0 382.917 2.826 20 0 GFADRO C[NH+](C)CC[C@H](NS(=O)(=O)c1ccc2nc(Cl)cnc2c1)C(C)(C)C ZINC000772935150 656394201 /nfs/dbraw/zinc/39/42/01/656394201.db2.gz BXPZGCUPMHLCFF-HNNXBMFYSA-N 1 0 384.933 2.928 20 0 GFADRO C[NH+](C)CC[C@@H](NS(=O)(=O)c1ccc2nc(Cl)cnc2c1)C(C)(C)C ZINC000772935152 656394401 /nfs/dbraw/zinc/39/44/01/656394401.db2.gz BXPZGCUPMHLCFF-OAHLLOKOSA-N 1 0 384.933 2.928 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2ccc3nc(Cl)cnc3c2)C[C@H]1C ZINC000772941060 656394478 /nfs/dbraw/zinc/39/44/78/656394478.db2.gz YCXLBFQIZPMFJY-CHWSQXEVSA-N 1 0 382.917 2.777 20 0 GFADRO C[C@H]([NH2+]CCS(=O)(=O)N1CCOCC1)c1ccc(-c2cccs2)cc1 ZINC000772947416 656394976 /nfs/dbraw/zinc/39/49/76/656394976.db2.gz SBOVCAWIDWTFRW-HNNXBMFYSA-N 1 0 380.535 2.728 20 0 GFADRO C[C@H]([NH2+]CCS(=O)(=O)CC1CC1)c1ccc(I)cc1 ZINC000773063814 656398154 /nfs/dbraw/zinc/39/81/54/656398154.db2.gz DDSHNIJEGIJZBI-NSHDSACASA-N 1 0 393.290 2.767 20 0 GFADRO O=c1oc2cc(Br)c(F)cc2n1CN1CC[NH+](C2CCC2)CC1 ZINC000773311429 656410423 /nfs/dbraw/zinc/41/04/23/656410423.db2.gz SMVSMJAFAVWFFN-UHFFFAOYSA-N 1 0 384.249 2.624 20 0 GFADRO C[NH+](C)C[C@H](Cc1ccccc1)NS(=O)(=O)c1cccc2scnc21 ZINC000841479250 661269978 /nfs/dbraw/zinc/26/99/78/661269978.db2.gz OXFYPLZSUIKCPP-HNNXBMFYSA-N 1 0 375.519 2.748 20 0 GFADRO C[NH+]1CCC(ONC(=O)c2ccc(Cl)c(I)c2)CC1 ZINC000774290015 656514827 /nfs/dbraw/zinc/51/48/27/656514827.db2.gz IFWUCFPOFHYDNU-UHFFFAOYSA-N 1 0 394.640 2.700 20 0 GFADRO CC(C)C(=O)N1CCC([NH2+]C[C@H](O)c2ccc(F)c(Br)c2)CC1 ZINC000774604612 656539574 /nfs/dbraw/zinc/53/95/74/656539574.db2.gz UZGRDUKBKACUNJ-INIZCTEOSA-N 1 0 387.293 2.858 20 0 GFADRO Cc1cc(Br)cc(C[NH2+][C@@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)c1 ZINC000775003589 656584163 /nfs/dbraw/zinc/58/41/63/656584163.db2.gz XHIZKKJXIXQHEV-BLLLJJGKSA-N 1 0 377.286 2.775 20 0 GFADRO C[C@@H](CS(C)(=O)=O)[NH2+]CCSc1ncc(C(F)(F)F)cc1Cl ZINC000775384484 656635571 /nfs/dbraw/zinc/63/55/71/656635571.db2.gz TUFNHDKELSLGLT-QMMMGPOBSA-N 1 0 376.853 2.869 20 0 GFADRO COCCN(CC[NH2+][C@@H]1CC[C@H]2SCCS[C@@H]12)C(=O)OC(C)(C)C ZINC000775421659 656638097 /nfs/dbraw/zinc/63/80/97/656638097.db2.gz IRRGMRNGCLELFP-KFWWJZLASA-N 1 0 376.588 2.839 20 0 GFADRO Cc1cnc(Br)cc1NC(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1 ZINC000776047196 656707513 /nfs/dbraw/zinc/70/75/13/656707513.db2.gz CTMNKXVKOIYSBJ-ZDUSSCGKSA-N 1 0 385.306 2.727 20 0 GFADRO C[NH+](C)CCOc1ccc(/C=C/C(=O)Nc2cnc(Br)cn2)cc1 ZINC000776432146 656739458 /nfs/dbraw/zinc/73/94/58/656739458.db2.gz WQOUZVQYKAVZIH-VMPITWQZSA-N 1 0 391.269 2.831 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CNC(=S)NCc1ccc(Br)cc1OC ZINC000777469767 656825304 /nfs/dbraw/zinc/82/53/04/656825304.db2.gz AHDLEVDTBVVNFZ-AWEZNQCLSA-N 1 0 386.359 2.906 20 0 GFADRO OCCCC[NH+]1CCN(Cc2cc3c(cc2Br)OCCCO3)CC1 ZINC000777616572 656830174 /nfs/dbraw/zinc/83/01/74/656830174.db2.gz QZWDAIGNUAEEFL-UHFFFAOYSA-N 1 0 399.329 2.501 20 0 GFADRO COc1ccc(Br)cc1CONC(=[NH2+])[C@@H]1CN(C(C)C)CCO1 ZINC000779652392 656935617 /nfs/dbraw/zinc/93/56/17/656935617.db2.gz OVXSUSKDTRYCSY-HNNXBMFYSA-N 1 0 386.290 2.565 20 0 GFADRO C[NH+](C)C[C@@H]1CN(C(=O)c2nc(Br)cs2)c2ccccc2O1 ZINC000779813375 656944828 /nfs/dbraw/zinc/94/48/28/656944828.db2.gz UGDLUTGMONVAHB-SNVBAGLBSA-N 1 0 382.283 2.875 20 0 GFADRO C[NH+](C)[C@@]1(CNC(=O)c2cn(C(C)(C)C)nc2Br)CCSC1 ZINC000780610151 657017659 /nfs/dbraw/zinc/01/76/59/657017659.db2.gz KOWCUEHGUKBVDY-OAHLLOKOSA-N 1 0 389.363 2.568 20 0 GFADRO CS[C@@H]1CN(C(=O)c2cn(C(C)(C)C)nc2Br)C[C@@H]1[NH+](C)C ZINC000780676184 657022613 /nfs/dbraw/zinc/02/26/13/657022613.db2.gz ZSRCBVJGNOHSRO-NWDGAFQWSA-N 1 0 389.363 2.518 20 0 GFADRO CC[N@H+](CCNS(=O)(=O)c1cc(Br)cnc1Cl)C(C)C ZINC000780856661 657033243 /nfs/dbraw/zinc/03/32/43/657033243.db2.gz PVSGRXLNAMTBNI-UHFFFAOYSA-N 1 0 384.727 2.506 20 0 GFADRO C[NH+]1CCC2(CCN2C(=O)c2cnc3ncc(Br)cc3c2)CC1 ZINC000781944078 657091438 /nfs/dbraw/zinc/09/14/38/657091438.db2.gz RBMZAEGVOQHQAR-UHFFFAOYSA-N 1 0 375.270 2.703 20 0 GFADRO O=C(NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1cc(Cl)nc(Cl)c1 ZINC000782056606 657097997 /nfs/dbraw/zinc/09/79/97/657097997.db2.gz KYZGWSIXNWPBBG-OAHLLOKOSA-N 1 0 380.275 2.885 20 0 GFADRO Cc1cc(NC(=O)N2CCN(c3cc[nH+]cc3)CC2)cnc1Br ZINC000783106292 657208713 /nfs/dbraw/zinc/20/87/13/657208713.db2.gz CMPIVFCUXITLSH-UHFFFAOYSA-N 1 0 376.258 2.902 20 0 GFADRO C[NH+](C)C1(CNC(=S)Nc2cccc(OC(F)(F)F)c2)CCOCC1 ZINC000783737332 657256967 /nfs/dbraw/zinc/25/69/67/657256967.db2.gz BVYAYIOSDJCMJO-UHFFFAOYSA-N 1 0 377.432 2.982 20 0 GFADRO Clc1ccc(-n2cc(CNC[C@@H]3C[N@@H+]4CCC[C@H]4CO3)nn2)cc1Cl ZINC000784534873 657315739 /nfs/dbraw/zinc/31/57/39/657315739.db2.gz QPRUXCFHYQFALP-LSDHHAIUSA-N 1 0 382.295 2.527 20 0 GFADRO Cc1ccc([C@@H](C[NH2+]Cc2cc(Br)nn2C)N2CCOCC2)cc1 ZINC000785423562 657363728 /nfs/dbraw/zinc/36/37/28/657363728.db2.gz MUJSUUMFOHNMRN-QGZVFWFLSA-N 1 0 393.329 2.654 20 0 GFADRO Cn1nc(Br)cc1C[NH2+]C[C@](O)(c1ccccc1)C(F)(F)F ZINC000785447146 657365636 /nfs/dbraw/zinc/36/56/36/657365636.db2.gz IUDZQLCMJDKPKD-ZDUSSCGKSA-N 1 0 378.192 2.722 20 0 GFADRO Cn1nc(Br)cc1C[NH2+]CCC1CCN(CC(F)(F)F)CC1 ZINC000785481248 657367678 /nfs/dbraw/zinc/36/76/78/657367678.db2.gz GKYUXJZONFGBPY-UHFFFAOYSA-N 1 0 383.256 2.937 20 0 GFADRO Cn1nc(Br)cc1CNc1ccc(NC(=O)CC[NH+](C)C)cc1 ZINC000785491634 657369332 /nfs/dbraw/zinc/36/93/32/657369332.db2.gz RGWVQECGMBSQAO-UHFFFAOYSA-N 1 0 380.290 2.685 20 0 GFADRO Cc1ccc(Br)nc1C(=O)Nc1ccnc(OCC[NH+](C)C)c1 ZINC000786639212 657449349 /nfs/dbraw/zinc/44/93/49/657449349.db2.gz AIRQVTLCDSNVAD-UHFFFAOYSA-N 1 0 379.258 2.740 20 0 GFADRO Cc1ccc(Br)nc1C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000786973126 657498751 /nfs/dbraw/zinc/49/87/51/657498751.db2.gz HTUTUPGTPIAKKR-AWEZNQCLSA-N 1 0 382.302 2.526 20 0 GFADRO COC(=O)[C@H]1CC[N@H+](Cn2ccc(=O)c3cccc(Br)c32)[C@H]1C ZINC000787244082 657531324 /nfs/dbraw/zinc/53/13/24/657531324.db2.gz MDAVBDYDXKQYQL-RYUDHWBXSA-N 1 0 379.254 2.605 20 0 GFADRO COc1cc(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cnc1Br ZINC000788233029 657679672 /nfs/dbraw/zinc/67/96/72/657679672.db2.gz OSCCYXHEJSRDME-DOMZBBRYSA-N 1 0 394.313 2.942 20 0 GFADRO O=C1O[C@@]2(CN1CN1Cc3ccc(Br)cc3C1)C[NH+]1CCC2CC1 ZINC000790390229 657967212 /nfs/dbraw/zinc/96/72/12/657967212.db2.gz XCQAKGZLIQVVGF-GOSISDBHSA-N 1 0 392.297 2.639 20 0 GFADRO CCOC[C@@H]1CC[N@H+](Cn2ncc3c2ccc(Br)c3C(=O)OC)C1 ZINC000790442822 657979021 /nfs/dbraw/zinc/97/90/21/657979021.db2.gz GBHWPDLGTARZKK-GFCCVEGCSA-N 1 0 396.285 2.901 20 0 GFADRO COC[C@H]1CCC[N@H+](Cn2ncc3c2ccc(Br)c3C(=O)OC)C1 ZINC000790446789 657981376 /nfs/dbraw/zinc/98/13/76/657981376.db2.gz PXLKVNBMRMBQMN-LBPRGKRZSA-N 1 0 396.285 2.901 20 0 GFADRO C[C@@H]1CC[C@H]1[NH2+][C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 ZINC000790745681 658018018 /nfs/dbraw/zinc/01/80/18/658018018.db2.gz DBWXFPYEBLXQCW-XNRPHZJLSA-N 1 0 387.343 2.990 20 0 GFADRO C[NH+](C)CCCOC(=O)CCC[S@](=O)c1ccc(Br)cc1 ZINC000791913849 658204985 /nfs/dbraw/zinc/20/49/85/658204985.db2.gz XEPNJPNARYXSSR-NRFANRHFSA-N 1 0 376.316 2.832 20 0 GFADRO COC1CC[NH+](C(C)(C)CNC(=O)c2nc(Br)ccc2F)CC1 ZINC000792149518 658241853 /nfs/dbraw/zinc/24/18/53/658241853.db2.gz MWPNKCCFGQDYQI-UHFFFAOYSA-N 1 0 388.281 2.602 20 0 GFADRO Cc1ccc(Br)nc1C(=O)OCCCN1CC[NH+](C(C)C)CC1 ZINC000792168184 658244781 /nfs/dbraw/zinc/24/47/81/658244781.db2.gz BJMOJBMGDLURSL-UHFFFAOYSA-N 1 0 384.318 2.725 20 0 GFADRO Cc1ccc(NC(=O)C(=O)NCCC[NH+](C(C)C)C(C)C)nc1Br ZINC000792997140 658343206 /nfs/dbraw/zinc/34/32/06/658343206.db2.gz KJHVLHABAUCTJD-UHFFFAOYSA-N 1 0 399.333 2.716 20 0 GFADRO C[C@H](C[C@H]1CCOC1)[NH2+]CC(=O)Nc1ccc(I)cc1 ZINC000793576820 658407534 /nfs/dbraw/zinc/40/75/34/658407534.db2.gz ZDKANLPBLKWMOR-VXGBXAGGSA-N 1 0 388.249 2.634 20 0 GFADRO CC(C)C[N@@H+]1CCO[C@H](COC(=O)COc2cccc(Br)c2)C1 ZINC000794568690 658562726 /nfs/dbraw/zinc/56/27/26/658562726.db2.gz URKWWRFPNVBKAB-INIZCTEOSA-N 1 0 386.286 2.728 20 0 GFADRO C[C@H](NCC[N@@H+]1CCC[C@@H]1C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000794804254 658616978 /nfs/dbraw/zinc/61/69/78/658616978.db2.gz UILBWLLUTSABQZ-QWRGUYRKSA-N 1 0 380.341 2.776 20 0 GFADRO CCNS(=O)(=O)CC[NH2+][C@H]1C[C@H](C)CCc2ccc(Br)cc21 ZINC000794808693 658617534 /nfs/dbraw/zinc/61/75/34/658617534.db2.gz BOVGJDUDKAFEBP-WBMJQRKESA-N 1 0 389.359 2.992 20 0 GFADRO Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)[NH2+][C@@H]1CC[C@H]2SCCS[C@@H]12 ZINC000794816518 658618157 /nfs/dbraw/zinc/61/81/57/658618157.db2.gz NQOUFBLRJGAGQV-CRNXPOROSA-N 1 0 386.608 2.981 20 0 GFADRO CS(=O)(=O)CCOCC[NH2+][C@H](c1ccc(Br)cc1F)C1CC1 ZINC000794813478 658618277 /nfs/dbraw/zinc/61/82/77/658618277.db2.gz FFBBXGFSYANZKK-HNNXBMFYSA-N 1 0 394.306 2.690 20 0 GFADRO CC[NH+](CC)CCOC(=O)c1cc(NS(C)(=O)=O)cc(C(F)(F)F)c1 ZINC000795778296 658849487 /nfs/dbraw/zinc/84/94/87/658849487.db2.gz MBXSJJQBCBROLC-UHFFFAOYSA-N 1 0 382.404 2.576 20 0 GFADRO CC(=O)c1cc(Br)ccc1OCC(=O)N[C@@H](C[NH+](C)C)C(C)C ZINC000796431294 658917093 /nfs/dbraw/zinc/91/70/93/658917093.db2.gz VMMQPMUNJGYOFF-HNNXBMFYSA-N 1 0 385.302 2.733 20 0 GFADRO COC(=O)C[C@](C)([NH2+]CC[C@@H]1CCOC1=O)c1ccc(Br)cc1 ZINC000796498812 658920829 /nfs/dbraw/zinc/92/08/29/658920829.db2.gz YDTBRCNCNVCAAN-PXAZEXFGSA-N 1 0 384.270 2.770 20 0 GFADRO CCc1nnc(NC(=O)[C@@H](C)[C@@H](C)[NH2+]Cc2c(CC)nn(C)c2Cl)s1 ZINC000796528677 658922320 /nfs/dbraw/zinc/92/23/20/658922320.db2.gz JAPWRCYSGWWSJT-VHSXEESVSA-N 1 0 384.937 2.803 20 0 GFADRO CC(C)S(=O)(=O)CC[NH2+][C@@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1 ZINC000796605620 658926527 /nfs/dbraw/zinc/92/65/27/658926527.db2.gz SPZIVAPWPYPPQZ-MRXNPFEDSA-N 1 0 379.444 2.820 20 0 GFADRO CC(C)(C)OC(=O)N1CCN([C@H]2CC[N@H+](C[C@H]3CC3(Cl)Cl)C2)CC1 ZINC000796617371 658927751 /nfs/dbraw/zinc/92/77/51/658927751.db2.gz OUSFJRLCRJYZRL-KGLIPLIRSA-N 1 0 378.344 2.807 20 0 GFADRO C[C@@H](C[C@@H]1CCOC1)[NH2+]CCNS(=O)(=O)c1cccc(Cl)c1Cl ZINC000797035394 658966784 /nfs/dbraw/zinc/96/67/84/658966784.db2.gz CFOLPHOEOUYZIE-RYUDHWBXSA-N 1 0 381.325 2.676 20 0 GFADRO CC[C@H]1C[N@H+](C)CCCN1C(=O)/C=C/c1ccc(I)o1 ZINC000798265278 659091010 /nfs/dbraw/zinc/09/10/10/659091010.db2.gz DYEATSOXLDBJQZ-WMADIVHISA-N 1 0 388.249 2.840 20 0 GFADRO CC(C)[C@H](C(=O)OC[C@H]1CC(=O)N(c2ccc(Br)cc2)C1)[NH+](C)C ZINC000798854122 659150836 /nfs/dbraw/zinc/15/08/36/659150836.db2.gz MVVDKSBXKFFYLH-SUMWQHHRSA-N 1 0 397.313 2.931 20 0 GFADRO CON(C)C(=O)CC[N@@H+]1CCC[C@H]1c1ccccc1I ZINC000799122684 659165993 /nfs/dbraw/zinc/16/59/93/659165993.db2.gz DDDVEZRCWIFUTG-AWEZNQCLSA-N 1 0 388.249 2.838 20 0 GFADRO CCN(CCC[NH+]1CCC(CNC(=O)C(F)(F)F)CC1)CC(F)(F)F ZINC000799173437 659170228 /nfs/dbraw/zinc/17/02/28/659170228.db2.gz BRGLDWXNANGCEV-UHFFFAOYSA-N 1 0 377.373 2.651 20 0 GFADRO Cc1nn(C)c(Br)c1C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000801099502 659368554 /nfs/dbraw/zinc/36/85/54/659368554.db2.gz REXBZARBRQYGLC-GXTWGEPZSA-N 1 0 381.318 2.580 20 0 GFADRO O[C@H](C[NH2+]Cc1ccc(-n2cncn2)c(F)c1)c1cccc(Br)c1 ZINC000801735644 659421129 /nfs/dbraw/zinc/42/11/29/659421129.db2.gz WFKDKIOXLIDYQP-QGZVFWFLSA-N 1 0 391.244 2.992 20 0 GFADRO COc1nc(N2CC[NH+](CCSC(C)(C)C)CC2)ncc1Br ZINC000801926828 659433920 /nfs/dbraw/zinc/43/39/20/659433920.db2.gz WVTDQIWZRMHSPV-UHFFFAOYSA-N 1 0 389.363 2.901 20 0 GFADRO CCCC1N=NC(=S)N1CC(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000802378839 659481417 /nfs/dbraw/zinc/48/14/17/659481417.db2.gz DJFVCZNHCSRGIK-AWEZNQCLSA-N 1 0 381.933 2.592 20 0 GFADRO CCSCC[NH2+]C[C@H](N1CCN(C(=O)OC(C)(C)C)CC1)C(F)(F)F ZINC000802658351 659492958 /nfs/dbraw/zinc/49/29/58/659492958.db2.gz VUWPKPKDKJGNKM-ZDUSSCGKSA-N 1 0 385.496 2.813 20 0 GFADRO O=C1c2cccc(Br)c2CN1CN1CC[C@H]([NH+]2CCCCC2)C1 ZINC000802730470 659498596 /nfs/dbraw/zinc/49/85/96/659498596.db2.gz VIHFGHPVDBLGCT-AWEZNQCLSA-N 1 0 378.314 2.923 20 0 GFADRO O=C1c2cccc(Br)c2CN1CN1CCC[C@@H]1C[NH+]1CCCC1 ZINC000802731150 659499303 /nfs/dbraw/zinc/49/93/03/659499303.db2.gz HENFXDKTILKKAC-CQSZACIVSA-N 1 0 378.314 2.923 20 0 GFADRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2CN2Cc3ccc(Br)cc3C2=O)C1 ZINC000802732538 659499960 /nfs/dbraw/zinc/49/99/60/659499960.db2.gz FVIMURLOFMIOPG-WMLDXEAASA-N 1 0 378.314 2.779 20 0 GFADRO CC[N@@H+]1CCN(C(=O)/C=C\c2cc(Br)c(O)c(OC)c2)[C@H](C)C1 ZINC000804380321 659640677 /nfs/dbraw/zinc/64/06/77/659640677.db2.gz HOBONXGZKRYDDA-FOQNGQEVSA-N 1 0 383.286 2.729 20 0 GFADRO C[NH+](C)CCN(CCc1ccccc1)S(=O)(=O)c1cnc(Cl)c(F)c1 ZINC000804950903 659702324 /nfs/dbraw/zinc/70/23/24/659702324.db2.gz IINLEGPEDBLEMR-UHFFFAOYSA-N 1 0 385.892 2.669 20 0 GFADRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)[C@H]1Cc2cc(Br)ccc2O1 ZINC000805334201 659766640 /nfs/dbraw/zinc/76/66/40/659766640.db2.gz WAMOKSCPYULIHO-SRCQZFHVSA-N 1 0 379.298 2.838 20 0 GFADRO Cc1cc(NC(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)c(F)cc1Br ZINC000806812489 659842186 /nfs/dbraw/zinc/84/21/86/659842186.db2.gz HXSQURHNMVJCTF-RYUDHWBXSA-N 1 0 386.265 2.881 20 0 GFADRO C[NH+](C)[C@@]1(CNC(=O)[C@@]2(C)CC(c3ccccc3Cl)=NO2)CCSC1 ZINC000807002831 659846114 /nfs/dbraw/zinc/84/61/14/659846114.db2.gz QLFCVVMERNLWDI-QZTJIDSGSA-N 1 0 381.929 2.777 20 0 GFADRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1Cn1c(=O)oc2cccc(Br)c21 ZINC000808190093 659880915 /nfs/dbraw/zinc/88/09/15/659880915.db2.gz CAXQNVLYZFSWQP-JSGCOSHPSA-N 1 0 380.286 2.873 20 0 GFADRO O=S1(=O)CCC[C@@H](C[NH2+]Cc2c(-c3ccccc3)nc3sccn23)C1 ZINC000808475518 659895130 /nfs/dbraw/zinc/89/51/30/659895130.db2.gz PRBSTWMLRLWCPU-AWEZNQCLSA-N 1 0 375.519 2.977 20 0 GFADRO C[C@](O)(C[NH2+]Cc1ccc(Cl)c(S(N)(=O)=O)c1)c1ccccc1Cl ZINC000809425732 659927646 /nfs/dbraw/zinc/92/76/46/659927646.db2.gz SCYWBJRZBLSHRP-INIZCTEOSA-N 1 0 389.304 2.638 20 0 GFADRO Clc1cccc2c1CCN(CC[NH2+]Cc1ncc(C3OCCO3)s1)C2 ZINC000809650082 659935252 /nfs/dbraw/zinc/93/52/52/659935252.db2.gz MUYIGDMKVOBKOM-UHFFFAOYSA-N 1 0 379.913 2.990 20 0 GFADRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]Cc3nc4ccccn4c3Br)[C@H]2C1 ZINC000809787701 659939366 /nfs/dbraw/zinc/93/93/66/659939366.db2.gz HVJPYDKREDLKRL-KKUMJFAQSA-N 1 0 391.313 2.833 20 0 GFADRO CCCC[N@H+](C)C[C@@H](C)NS(=O)(=O)c1cc(C(=O)OC)ccc1Cl ZINC000809860527 659950533 /nfs/dbraw/zinc/95/05/33/659950533.db2.gz QNMVYRSYOJYUCB-GFCCVEGCSA-N 1 0 376.906 2.525 20 0 GFADRO O=C(C[N@H+]1CCC[C@@H]([C@H](O)c2ccc(Br)cc2)C1)NCC1CC1 ZINC000810048786 659957777 /nfs/dbraw/zinc/95/77/77/659957777.db2.gz MLPYDXDJKGWAHN-CRAIPNDOSA-N 1 0 381.314 2.721 20 0 GFADRO O[C@@]1(C[NH2+]Cc2cn(-c3ccccc3Br)nn2)CCc2ccccc21 ZINC000810150552 659964931 /nfs/dbraw/zinc/96/49/31/659964931.db2.gz HALUJWRUBXOZOZ-LJQANCHMSA-N 1 0 399.292 2.953 20 0 GFADRO CCS(=O)(=O)N1CCC(C[NH2+][C@@H](C)c2ccc(Br)nc2)CC1 ZINC000810236661 659967393 /nfs/dbraw/zinc/96/73/93/659967393.db2.gz KVAMDBZBLFCEKQ-LBPRGKRZSA-N 1 0 390.347 2.556 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)OCCOc2cncc(Br)c2)C1 ZINC000810628809 659980537 /nfs/dbraw/zinc/98/05/37/659980537.db2.gz SORXIPDACABWEN-INIZCTEOSA-N 1 0 389.265 2.979 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)N2CC(=O)Nc3ccc(Br)cc32)C1 ZINC000810651213 659981403 /nfs/dbraw/zinc/98/14/03/659981403.db2.gz HWISUVIFLGFTPV-KRWDZBQOSA-N 1 0 398.276 2.947 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)N[C@H](CO)c2cccc(Br)c2)C1 ZINC000810938188 659990879 /nfs/dbraw/zinc/99/08/79/659990879.db2.gz DKHLPWNUYLXRDB-RHSMWYFYSA-N 1 0 387.293 2.811 20 0 GFADRO CCC[N@H+](CC)C[C@H](C)NC(=O)C[C@@](O)(c1nc(C)cs1)C(F)(F)F ZINC000812394133 660026069 /nfs/dbraw/zinc/02/60/69/660026069.db2.gz OZYZOAZJUJPGCE-XHDPSFHLSA-N 1 0 381.464 2.828 20 0 GFADRO CCOC(=O)N1CCC([NH2+][C@H](CO)c2ccc(Br)c(F)c2)CC1 ZINC000814177728 660073996 /nfs/dbraw/zinc/07/39/96/660073996.db2.gz NBROGQFZTCNXDA-OAHLLOKOSA-N 1 0 389.265 2.832 20 0 GFADRO Cc1c2cccc(Cl)c2sc1C[NH2+]CCS(=O)(=O)N1CCOCC1 ZINC000815124232 660113764 /nfs/dbraw/zinc/11/37/64/660113764.db2.gz ZCMGSLKBRMSTSL-UHFFFAOYSA-N 1 0 388.942 2.615 20 0 GFADRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1cn2c(Br)cnc2s1 ZINC000816649507 660164100 /nfs/dbraw/zinc/16/41/00/660164100.db2.gz ANZARFZUQUWEOS-GHMZBOCLSA-N 1 0 383.315 2.857 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)c1coc(Sc2ncccn2)n1)c1ccsc1 ZINC000816858393 660170864 /nfs/dbraw/zinc/17/08/64/660170864.db2.gz NJRYENVPBPVFMJ-ZDUSSCGKSA-N 1 0 375.479 2.710 20 0 GFADRO O=C(Nc1nc(Br)ccc1O)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000816952926 660174316 /nfs/dbraw/zinc/17/43/16/660174316.db2.gz VOOQGVKJPLMBQV-LLVKDONJSA-N 1 0 386.315 2.706 20 0 GFADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)Nc1cnc(Cl)c(C(F)(F)F)c1 ZINC000841801868 661315043 /nfs/dbraw/zinc/31/50/43/661315043.db2.gz YZGLMHSDVLPHDM-SNVBAGLBSA-N 1 0 379.814 2.511 20 0 GFADRO CC(C)[C@H]([NH3+])CNC(=O)N1CCC[C@H]([C@H](O)c2ccc(Br)cc2)C1 ZINC000841944576 661318231 /nfs/dbraw/zinc/31/82/31/661318231.db2.gz LRKNJWZWEVZENK-USXIJHARSA-N 1 0 398.345 2.887 20 0 GFADRO COC(=O)c1ccc(CNC(=O)NCCC[C@H]2CCC[NH2+]2)c(Br)c1 ZINC000842003087 661319501 /nfs/dbraw/zinc/31/95/01/661319501.db2.gz DVFJBXCWNVEBAF-CQSZACIVSA-N 1 0 398.301 2.567 20 0 GFADRO [NH3+]CCCCCCCN1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 ZINC000842471515 661341156 /nfs/dbraw/zinc/34/11/56/661341156.db2.gz GREWVSQXZOIZMB-UHFFFAOYSA-N 1 0 391.940 2.695 20 0 GFADRO C[NH2+]C[C@H](C)c1noc([C@@H]2CC(=O)N(c3cccc(Br)c3)C2)n1 ZINC000842580501 661344355 /nfs/dbraw/zinc/34/43/55/661344355.db2.gz UKGZFLYJODIAJR-WDEREUQCSA-N 1 0 379.258 2.676 20 0 GFADRO C[C@@H](NC(=O)c1ccc(Br)s1)c1nc([C@H]2CCC[NH2+]C2)no1 ZINC000842665617 661348187 /nfs/dbraw/zinc/34/81/87/661348187.db2.gz RPMAGPUPKOKMAU-BDAKNGLRSA-N 1 0 385.287 2.852 20 0 GFADRO O[C@H]1CCC[C@H]1[NH+]1CCC(NCc2cc(Br)cnc2Cl)CC1 ZINC000842691570 661349627 /nfs/dbraw/zinc/34/96/27/661349627.db2.gz IIYRUXSYADGVOR-CABCVRRESA-N 1 0 388.737 2.965 20 0 GFADRO COc1ccc2nc(Cl)ccc2c1S(=O)(=O)N(C)CC[C@H]([NH3+])C(C)C ZINC000842738818 661351851 /nfs/dbraw/zinc/35/18/51/661351851.db2.gz XQZCPZHTHLOTBV-ZDUSSCGKSA-N 1 0 385.917 2.891 20 0 GFADRO COc1ccc2nc(Cl)ccc2c1S(=O)(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000842805528 661355429 /nfs/dbraw/zinc/35/54/29/661355429.db2.gz WVBVWMVRDSZKHE-AWEZNQCLSA-N 1 0 383.901 2.693 20 0 GFADRO CC(C)[N@@H+]1CCC[C@H](COC(=O)c2nccn3c(Br)cnc23)C1 ZINC000842831825 661356929 /nfs/dbraw/zinc/35/69/29/661356929.db2.gz YCGQMFZXDVNMTH-LBPRGKRZSA-N 1 0 381.274 2.769 20 0 GFADRO C[C@@H]([NH2+]C[C@@H]1CS(=O)(=O)c2ccccc2O1)c1ccc(Br)nc1 ZINC000842882621 661358505 /nfs/dbraw/zinc/35/85/05/661358505.db2.gz CJIXUDBCQRAELG-DGCLKSJQSA-N 1 0 397.294 2.730 20 0 GFADRO O[C@H](C[NH2+]C[C@@H](O)c1ccc(Br)cc1)COc1cccc(F)c1 ZINC000843066003 661365996 /nfs/dbraw/zinc/36/59/96/661365996.db2.gz OMNHZDXLUYROQY-NVXWUHKLSA-N 1 0 384.245 2.651 20 0 GFADRO O[C@H](C[NH2+]C[C@H](O)c1ccc(Cl)c(F)c1)COc1ccc(F)c(F)c1 ZINC000843073335 661366572 /nfs/dbraw/zinc/36/65/72/661366572.db2.gz VDVQQRPDUWQPNX-DIFFPNOSSA-N 1 0 375.774 2.820 20 0 GFADRO CN(C[C@@H](O)C[NH2+]C[C@H](O)c1ccc(Cl)cc1Cl)C(=O)OC(C)(C)C ZINC000843075791 661366827 /nfs/dbraw/zinc/36/68/27/661366827.db2.gz PFHNLJZVUGOLRJ-WFASDCNBSA-N 1 0 393.311 2.844 20 0 GFADRO CN(C[C@@H](O)C[NH2+]C[C@@H](O)c1cc(Cl)cc(Cl)c1)C(=O)OC(C)(C)C ZINC000843079448 661366832 /nfs/dbraw/zinc/36/68/32/661366832.db2.gz BTUAHWUOQFACPH-LSDHHAIUSA-N 1 0 393.311 2.844 20 0 GFADRO CN(C[C@H](O)C[NH2+]C[C@H](O)c1cc(Cl)cc(Cl)c1)C(=O)OC(C)(C)C ZINC000843079445 661366843 /nfs/dbraw/zinc/36/68/43/661366843.db2.gz BTUAHWUOQFACPH-CABCVRRESA-N 1 0 393.311 2.844 20 0 GFADRO C[C@@](O)(C[NH2+]C[C@@H](O)C1CCOCC1)c1ccc(Br)cc1Cl ZINC000843083905 661366953 /nfs/dbraw/zinc/36/69/53/661366953.db2.gz SDQKJSAAYZCRFW-HZPDHXFCSA-N 1 0 392.721 2.687 20 0 GFADRO COc1ccc([C@@H](CO)C[NH2+]C[C@H](O)c2ccc(Br)cc2)cc1 ZINC000843094262 661367560 /nfs/dbraw/zinc/36/75/60/661367560.db2.gz JZSJYPWEBLZXFQ-QAPCUYQASA-N 1 0 380.282 2.857 20 0 GFADRO OCC1([C@H]([NH2+]C[C@H](O)c2ccc(Br)cc2)[C@@H]2CCCO2)CCC1 ZINC000843114102 661369211 /nfs/dbraw/zinc/36/92/11/661369211.db2.gz CXSKQSUHSUUWSK-YESZJQIVSA-N 1 0 384.314 2.782 20 0 GFADRO Brc1ccc2nc(CN3CCN([C@H]4CC[NH2+]C4)CC3)sc2c1 ZINC000843124888 661370417 /nfs/dbraw/zinc/37/04/17/661370417.db2.gz OKTWHPLNLMEZGY-ZDUSSCGKSA-N 1 0 381.343 2.538 20 0 GFADRO CC(C)[C@H]([NH3+])c1noc([C@@H](C)N2C(=O)c3ccc(Br)cc3C2=O)n1 ZINC000843151804 661371145 /nfs/dbraw/zinc/37/11/45/661371145.db2.gz PYOZLRIWONBKOH-PELKAZGASA-N 1 0 393.241 2.845 20 0 GFADRO CC(C)[C@@H]([NH3+])c1noc([C@@H](C)N2C(=O)c3ccc(Br)cc3C2=O)n1 ZINC000843151807 661371215 /nfs/dbraw/zinc/37/12/15/661371215.db2.gz PYOZLRIWONBKOH-PRHODGIISA-N 1 0 393.241 2.845 20 0 GFADRO C[C@@H](Cc1nc(CS(=O)(=O)c2ccc(Cl)cc2)no1)[C@H]1CCC[NH2+]C1 ZINC000843196670 661371519 /nfs/dbraw/zinc/37/15/19/661371519.db2.gz IVTIYAAAXIJTKC-STQMWFEESA-N 1 0 383.901 2.875 20 0 GFADRO Brc1cc(Cc2noc(C3CC[NH2+]CC3)n2)cc2c1OCCO2 ZINC000843202324 661371967 /nfs/dbraw/zinc/37/19/67/661371967.db2.gz DMMNRMNJJPKELR-UHFFFAOYSA-N 1 0 380.242 2.661 20 0 GFADRO CC(C)[NH2+]CCc1nc(CS(=O)(=O)c2cc(Cl)ccc2Cl)no1 ZINC000843200934 661371972 /nfs/dbraw/zinc/37/19/72/661371972.db2.gz VAENXYFGEWEXAF-UHFFFAOYSA-N 1 0 378.281 2.891 20 0 GFADRO COc1cc(Cc2noc(CC[NH3+])n2)cc(Br)c1OC(F)F ZINC000843202870 661372222 /nfs/dbraw/zinc/37/22/22/661372222.db2.gz MAKVSQKVCAFOQW-UHFFFAOYSA-N 1 0 378.173 2.534 20 0 GFADRO CCCOc1ccc(Br)cc1-c1noc(C[C@@H]2C[NH2+]CCO2)n1 ZINC000843204414 661372566 /nfs/dbraw/zinc/37/25/66/661372566.db2.gz MGJPCBSDQGIHNX-GFCCVEGCSA-N 1 0 382.258 2.819 20 0 GFADRO FC(F)Oc1cc(Br)ccc1-c1noc(C[C@@H]2C[NH2+]CCO2)n1 ZINC000843210191 661372847 /nfs/dbraw/zinc/37/28/47/661372847.db2.gz VPEBQJAQBKLDDI-SECBINFHSA-N 1 0 390.184 2.631 20 0 GFADRO Ic1cc(-c2noc(C[C@@H]3CSCC[NH2+]3)n2)cs1 ZINC000843212634 661373273 /nfs/dbraw/zinc/37/32/73/661373273.db2.gz IVZKUNNNXYZZIW-MRVPVSSYSA-N 1 0 393.275 2.650 20 0 GFADRO [NH3+][C@@H](Cc1nc(-c2n[nH]c(-c3cccc(Br)c3)n2)no1)C1CC1 ZINC000843227824 661374118 /nfs/dbraw/zinc/37/41/18/661374118.db2.gz CYGQSVDRFDSJAM-NSHDSACASA-N 1 0 375.230 2.564 20 0 GFADRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)/C=C\c1ccc(I)o1 ZINC000843356539 661378546 /nfs/dbraw/zinc/37/85/46/661378546.db2.gz WXCKDXUSXJTOHP-HWPRWLFBSA-N 1 0 376.238 2.729 20 0 GFADRO O=C(CO[C@H]1CCC[NH2+]C1)Nc1nnc(SCc2ccc(F)cc2)s1 ZINC000843359980 661378647 /nfs/dbraw/zinc/37/86/47/661378647.db2.gz NWJQVIGMAIATHZ-ZDUSSCGKSA-N 1 0 382.486 2.677 20 0 GFADRO O=C(NCCc1ccc(Br)cc1F)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000843434773 661381477 /nfs/dbraw/zinc/38/14/77/661381477.db2.gz NXTXLYCPFYKZLC-QGZVFWFLSA-N 1 0 377.257 2.961 20 0 GFADRO COc1cc(/C=C/C(=O)NCCC[NH+]2CCCC2)cc(Br)c1O ZINC000843439556 661381710 /nfs/dbraw/zinc/38/17/10/661381710.db2.gz KMGMVFHKWTWMJY-AATRIKPKSA-N 1 0 383.286 2.779 20 0 GFADRO C[NH+](C)C[C@@H]1CCN(CN2CC(c3ccc(Br)cc3)=CC2=O)C1 ZINC000844693922 661434288 /nfs/dbraw/zinc/43/42/88/661434288.db2.gz DUXZXGKIQFYVNN-AWEZNQCLSA-N 1 0 378.314 2.516 20 0 GFADRO Brc1cnn(CN2CCO[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000844733547 661437500 /nfs/dbraw/zinc/43/75/00/661437500.db2.gz YWIHHXPRPAUDFL-MSOLQXFVSA-N 1 0 391.313 2.578 20 0 GFADRO Brc1cnn(CN2CCO[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000844733550 661437529 /nfs/dbraw/zinc/43/75/29/661437529.db2.gz YWIHHXPRPAUDFL-ZWKOTPCHSA-N 1 0 391.313 2.578 20 0 GFADRO COC(=O)[C@@H]1CN(Cn2ncc3c2cccc3Br)C[C@H]1C1CC1 ZINC000844764985 661438410 /nfs/dbraw/zinc/43/84/10/661438410.db2.gz MHTXGPLXHCYCBC-UONOGXRCSA-N 1 0 378.270 2.887 20 0 GFADRO O=C(NCCC[C@@H]1CC1(Cl)Cl)NCC1([NH+]2CCCC2)CCOCC1 ZINC000844954301 661450537 /nfs/dbraw/zinc/45/05/37/661450537.db2.gz QGEPEJZHNXUYTL-CQSZACIVSA-N 1 0 378.344 2.905 20 0 GFADRO C[NH+](C)CCOc1cc(CNC(=O)NCCC[C@@H]2CC2(Cl)Cl)ccn1 ZINC000845081539 661455490 /nfs/dbraw/zinc/45/54/90/661455490.db2.gz QKXFZUQENDLSNK-CQSZACIVSA-N 1 0 389.327 2.795 20 0 GFADRO CCc1c(Cl)nc(CS(C)(=O)=O)nc1NCCC[N@H+](C)CC(C)C ZINC000845578952 661481622 /nfs/dbraw/zinc/48/16/22/661481622.db2.gz NESPQYBIYFKQAW-UHFFFAOYSA-N 1 0 376.954 2.627 20 0 GFADRO C[C@@H]1[C@H](COC(=O)[C@@H]2CC(=O)N(c3ccccc3Br)C2)CC[N@@H+]1C ZINC000845813738 661498342 /nfs/dbraw/zinc/49/83/42/661498342.db2.gz GQLLSBGSOOSTKH-HZSPNIEDSA-N 1 0 395.297 2.685 20 0 GFADRO Cc1nn(-c2ccc(Cl)cc2)c(Cl)c1CN1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000846068669 661528835 /nfs/dbraw/zinc/52/88/35/661528835.db2.gz XCOGLRLYEFBOQM-MRXNPFEDSA-N 1 0 381.307 2.738 20 0 GFADRO [NH3+]CC1(CCNC(=O)N2CCO[C@H](c3ccccc3Br)C2)CC1 ZINC000846185140 661536878 /nfs/dbraw/zinc/53/68/78/661536878.db2.gz PSQYQTYQXIDCAR-HNNXBMFYSA-N 1 0 382.302 2.661 20 0 GFADRO COCC[N@@H+]1CCN(C(=O)C[C@H](O)c2cc(Cl)cc(Cl)c2)C(C)(C)C1 ZINC000846564355 661556420 /nfs/dbraw/zinc/55/64/20/661556420.db2.gz VWXPJOMNSVJKGO-INIZCTEOSA-N 1 0 389.323 2.986 20 0 GFADRO C[NH+](C)CC[C@H](N)C(=O)NCC(C)(C)Sc1ccc(Br)cc1 ZINC000846672819 661561347 /nfs/dbraw/zinc/56/13/47/661561347.db2.gz OQYSCPKSWQLZDF-AWEZNQCLSA-N 1 0 388.375 2.715 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(C(=O)[C@@H](O)c3cc(Cl)cc(Cl)c3)C2)C1 ZINC000846686543 661561761 /nfs/dbraw/zinc/56/17/61/661561761.db2.gz HLRVOJCXCDOYKH-JKEMJCCQSA-N 1 0 387.307 2.772 20 0 GFADRO O=C(NC1CC[NH+](Cc2ccncc2)CC1)c1cnc(F)c(Br)c1 ZINC000847357474 661588842 /nfs/dbraw/zinc/58/88/42/661588842.db2.gz MXGBDKYFDFIUPP-UHFFFAOYSA-N 1 0 393.260 2.773 20 0 GFADRO CC[NH+](CC)[C@@H]1CCN(C(=O)c2ccccc2S(=O)(=O)C(F)(F)F)C1 ZINC000847536285 661596112 /nfs/dbraw/zinc/59/61/12/661596112.db2.gz YWUPIKSIUCXVDZ-GFCCVEGCSA-N 1 0 378.416 2.536 20 0 GFADRO C[NH+](C)C[C@@H]1CN(C(=O)c2nc(F)ccc2Br)c2ccccc2O1 ZINC000847573409 661598312 /nfs/dbraw/zinc/59/83/12/661598312.db2.gz LPSCVGYQKQKQMA-LLVKDONJSA-N 1 0 394.244 2.953 20 0 GFADRO C[N@@H+]1CC[C@H](CCOC(=O)[C@H]2CC(=O)N(c3cccc(Br)c3)C2)C1 ZINC000847824014 661612156 /nfs/dbraw/zinc/61/21/56/661612156.db2.gz JRROQSMJXGCQJH-KGLIPLIRSA-N 1 0 395.297 2.687 20 0 GFADRO C[N@@H+]1CC[C@@H](CCOC(=O)[C@H]2CCN(c3ccccc3Br)C2=O)C1 ZINC000847825832 661612326 /nfs/dbraw/zinc/61/23/26/661612326.db2.gz RQOHZQGNWUUYCW-KBPBESRZSA-N 1 0 395.297 2.687 20 0 GFADRO C[N@@H+]1CC[C@H](CCOC(=O)[C@H]2CCN(c3ccccc3Br)C2=O)C1 ZINC000847825833 661612380 /nfs/dbraw/zinc/61/23/80/661612380.db2.gz RQOHZQGNWUUYCW-KGLIPLIRSA-N 1 0 395.297 2.687 20 0 GFADRO COCC[NH+]1CCC(OC(=O)COc2ccc(F)cc2Br)CC1 ZINC000847880901 661615023 /nfs/dbraw/zinc/61/50/23/661615023.db2.gz BXFUXFXQATXPCV-UHFFFAOYSA-N 1 0 390.249 2.621 20 0 GFADRO COCC[NH+]1CCC(OC(=O)c2cn(C(C)(C)C)nc2Br)CC1 ZINC000847884823 661615044 /nfs/dbraw/zinc/61/50/44/661615044.db2.gz QFPGSNPUTMDABH-UHFFFAOYSA-N 1 0 388.306 2.668 20 0 GFADRO C[C@H](COC(=O)c1ccc(Cl)c(S(=O)(=O)N(C)C)c1)[NH+]1CCCCC1 ZINC000847958354 661618674 /nfs/dbraw/zinc/61/86/74/661618674.db2.gz IBMCYZYYHJDOPW-CYBMUJFWSA-N 1 0 388.917 2.622 20 0 GFADRO CNC(=O)[C@]1(C)CC[N@H+](Cn2cc(-c3ccc(Br)cc3)cn2)C1 ZINC000848487156 661654604 /nfs/dbraw/zinc/65/46/04/661654604.db2.gz OXHNJMXTCJEZRC-QGZVFWFLSA-N 1 0 377.286 2.728 20 0 GFADRO C[C@H](NC(=O)N[C@@H](C[NH3+])C(F)(F)F)c1nc(-c2ccc(Cl)cc2)no1 ZINC000848597012 661667010 /nfs/dbraw/zinc/66/70/10/661667010.db2.gz DAJAREFUWOUNQW-XVKPBYJWSA-N 1 0 377.754 2.640 20 0 GFADRO CCOc1cc(C[NH2+]C[C@@H]2CN(C3CC3)C(=O)O2)cc(Br)c1O ZINC000848929401 661689421 /nfs/dbraw/zinc/68/94/21/661689421.db2.gz DOFZHNXXGIGFTK-GFCCVEGCSA-N 1 0 385.258 2.626 20 0 GFADRO [NH2+]=C(NCCNS(=O)(=O)c1cccc(Cl)c1Cl)N1CCCCCC1 ZINC000849052325 661690573 /nfs/dbraw/zinc/69/05/73/661690573.db2.gz DTCJRXLRBOJPBE-UHFFFAOYSA-N 1 0 393.340 2.672 20 0 GFADRO C[C@H]1CCCN(C(=[NH2+])NCc2nnc(-c3ccc(Br)cc3)[nH]2)C1 ZINC000849074946 661690983 /nfs/dbraw/zinc/69/09/83/661690983.db2.gz SLGSPWAIEWAARJ-NSHDSACASA-N 1 0 377.290 2.990 20 0 GFADRO CCOCCCNC(=[NH2+])NCc1nc2cc(Br)ccc2n1CC ZINC000849093311 661691307 /nfs/dbraw/zinc/69/13/07/661691307.db2.gz XNEVSSWTTAMQPO-UHFFFAOYSA-N 1 0 382.306 2.859 20 0 GFADRO CO[C@H](CCNC(=[NH2+])N1CCN(c2ccc(Cl)cc2)CC1)C(F)(F)F ZINC000849088859 661691545 /nfs/dbraw/zinc/69/15/45/661691545.db2.gz VBBLCAKNSJPBBC-CQSZACIVSA-N 1 0 378.826 2.954 20 0 GFADRO COc1ccc(Br)cc1C[C@H](CO)CNC(=[NH2+])N1CCC[C@H](C)C1 ZINC000849116244 661693131 /nfs/dbraw/zinc/69/31/31/661693131.db2.gz IGCBENUSZXPRPU-KBPBESRZSA-N 1 0 398.345 2.865 20 0 GFADRO CS(=O)(=O)C1(C[NH2+]C[C@@H](O)c2ccc(Br)cc2)CCCCC1 ZINC000849329751 661706099 /nfs/dbraw/zinc/70/60/99/661706099.db2.gz VCBBWNNXYTYGNL-OAHLLOKOSA-N 1 0 390.343 2.820 20 0 GFADRO COC[C@@H](CC[NH2+]C[C@](C)(O)c1ccc(Br)cc1Cl)OC ZINC000849327487 661706138 /nfs/dbraw/zinc/70/61/38/661706138.db2.gz NCNYPFIKGPBDHY-DOMZBBRYSA-N 1 0 380.710 2.951 20 0 GFADRO C[C@@H](CN1C(=O)N[C@H](c2ccccc2Br)C1=O)C[NH+]1CCCC1 ZINC000849351277 661708406 /nfs/dbraw/zinc/70/84/06/661708406.db2.gz FBYZLPJZUYOCAM-IUODEOHRSA-N 1 0 380.286 2.774 20 0 GFADRO C[C@H]1CCC[N@H+](CCN2C(=O)N[C@@H](c3ccccc3Br)C2=O)C1 ZINC000849351610 661708697 /nfs/dbraw/zinc/70/86/97/661708697.db2.gz JILVOTGVYKUSNL-WFASDCNBSA-N 1 0 380.286 2.774 20 0 GFADRO O=C1N[C@H](c2ccccc2Br)C(=O)N1[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000849352609 661708711 /nfs/dbraw/zinc/70/87/11/661708711.db2.gz XKFNNNYGQNZIBM-LALPHHSUSA-N 1 0 378.270 2.669 20 0 GFADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@H]2C(=O)NCc2ccccc2Br)cn1 ZINC000849496587 661733675 /nfs/dbraw/zinc/73/36/75/661733675.db2.gz KIZBTDIQPJYMOF-CVEARBPZSA-N 1 0 391.313 2.534 20 0 GFADRO Cn1c2ccc(C(F)(F)F)cc2nc1C[NH2+]CC[S@](=O)CC(F)(F)F ZINC000850348845 661770971 /nfs/dbraw/zinc/77/09/71/661770971.db2.gz VXGAHXQHDZVFFM-VWLOTQADSA-N 1 0 387.349 2.993 20 0 GFADRO O=S(=O)(CC[NH2+]Cc1cc(Cl)c2c(c1)OCCCO2)CC(F)(F)F ZINC000850363662 661771936 /nfs/dbraw/zinc/77/19/36/661771936.db2.gz FNFCPGAVIBOIJT-UHFFFAOYSA-N 1 0 387.807 2.568 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)Nc2cccc(Br)c2F)C1 ZINC000850391251 661774231 /nfs/dbraw/zinc/77/42/31/661774231.db2.gz JWEUKMVTHSSGRS-WDEREUQCSA-N 1 0 386.265 2.516 20 0 GFADRO C[C@H](CC[NH2+][C@@H]1CCN(C(=O)C(F)(F)F)Cc2ccccc21)[S@](C)=O ZINC000850445537 661776474 /nfs/dbraw/zinc/77/64/74/661776474.db2.gz FVIHWXQUBXRJKL-VNFRKBOCSA-N 1 0 376.444 2.769 20 0 GFADRO CC1(C)[C@H](OCc2ccccc2)C[C@@H]1[NH2+]CCS(=O)(=O)CC(F)(F)F ZINC000850518310 661780091 /nfs/dbraw/zinc/78/00/91/661780091.db2.gz DYFRZTQCPMICHV-LSDHHAIUSA-N 1 0 379.444 2.937 20 0 GFADRO CN1CCN(Cc2ccccc2)[C@H](C[NH2+][C@@H]2CC[C@@H]3SCCS[C@@H]23)C1 ZINC000850576088 661781800 /nfs/dbraw/zinc/78/18/00/661781800.db2.gz HGLULEZOXGMSNC-ZRNYENFQSA-N 1 0 377.623 2.772 20 0 GFADRO O=S(=O)(c1cnc(Cl)c(Cl)c1)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000850588861 661782379 /nfs/dbraw/zinc/78/23/79/661782379.db2.gz GZJOUSWWGJVKPD-GFCCVEGCSA-N 1 0 378.325 2.789 20 0 GFADRO O=S(=O)(c1cc(Cl)ccc1OC(F)(F)F)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000850588418 661782390 /nfs/dbraw/zinc/78/23/90/661782390.db2.gz FJNMTZKGNMTYMX-CYBMUJFWSA-N 1 0 384.807 2.755 20 0 GFADRO O=S(=O)(c1ccc(C(F)(F)F)cn1)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000850590149 661782646 /nfs/dbraw/zinc/78/26/46/661782646.db2.gz XPODFWXTJQPXCY-ZDUSSCGKSA-N 1 0 377.432 2.501 20 0 GFADRO C[C@@H]1CCCN(S(=O)(=O)c2c(Cl)nc3sccn32)[C@@H]1CCC[NH3+] ZINC000850591539 661782833 /nfs/dbraw/zinc/78/28/33/661782833.db2.gz YEGHUBVSONYWTE-GHMZBOCLSA-N 1 0 376.935 2.577 20 0 GFADRO O=C(CCn1cc(Br)cn1)OC[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000851466704 661820551 /nfs/dbraw/zinc/82/05/51/661820551.db2.gz WIOSZXQLZQXYEJ-MRXNPFEDSA-N 1 0 378.270 2.853 20 0 GFADRO C[C@]1(C(=O)NCc2ccc(C[NH3+])cc2)CC1(Br)Br ZINC000851642166 661827477 /nfs/dbraw/zinc/82/74/77/661827477.db2.gz TXAFTKLJGOFXGT-GFCCVEGCSA-N 1 0 376.092 2.658 20 0 GFADRO C[C@@H]1CCCN(C(=O)c2cccc(S(=O)(=O)C(F)(F)F)c2)[C@H]1CC[NH3+] ZINC000851642149 661827535 /nfs/dbraw/zinc/82/75/35/661827535.db2.gz SXRZKNJVTUCYET-RISCZKNCSA-N 1 0 378.416 2.570 20 0 GFADRO O=C(N[C@@H]1CC[C@H]2SCCS[C@@H]12)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000851658615 661827715 /nfs/dbraw/zinc/82/77/15/661827715.db2.gz HGVPXILYPAZFRY-ZKXLYKBJSA-N 1 0 377.579 2.811 20 0 GFADRO CCOP(=O)(OCC)[C@@H](O)C[N@@H+]1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000851804495 661833246 /nfs/dbraw/zinc/83/32/46/661833246.db2.gz RCPGFKIVMIHWGD-ZIAGYGMSSA-N 1 0 380.422 2.512 20 0 GFADRO C[NH+](C)C[C@@H]1CCCCN1S(=O)(=O)c1cnc(Cl)c(Br)c1 ZINC000851813382 661833911 /nfs/dbraw/zinc/83/39/11/661833911.db2.gz UVXFWDPFODFYQQ-JTQLQIEISA-N 1 0 396.738 2.602 20 0 GFADRO O[C@@H](C[C@H]1CCC[N@@H+]1CCn1cnc(Br)n1)c1ccc(F)cc1 ZINC000851862382 661839891 /nfs/dbraw/zinc/83/98/91/661839891.db2.gz YYFNVGDDDCIWCV-CABCVRRESA-N 1 0 383.265 2.768 20 0 GFADRO C[C@H]([NH2+]CCn1cnc(Br)n1)c1ccc(NC(=O)C2CC2)cc1 ZINC000851895065 661844036 /nfs/dbraw/zinc/84/40/36/661844036.db2.gz AWUAAPYRHRJJDL-NSHDSACASA-N 1 0 378.274 2.740 20 0 GFADRO C[NH+](C)C1(CNC(=O)N2CCn3ncc(Br)c3C2)CCCCCC1 ZINC000851939162 661846341 /nfs/dbraw/zinc/84/63/41/661846341.db2.gz ITFXNBBCHOKJEN-UHFFFAOYSA-N 1 0 398.349 2.825 20 0 GFADRO Cc1ccc(N(C)CC(=O)NC2CC[NH+](C3CC3)CC2)c(Br)c1 ZINC000852065329 661851290 /nfs/dbraw/zinc/85/12/90/661851290.db2.gz GOXANACMLAGBQM-UHFFFAOYSA-N 1 0 380.330 2.937 20 0 GFADRO CCOP(=O)(OCC)[C@H](O)C[N@H+]1[C@H](C)CN(C(=O)C(C)(C)C)C[C@@H]1C ZINC000852076513 661851811 /nfs/dbraw/zinc/85/18/11/661851811.db2.gz IULJBIQGNNDLOF-ZNMIVQPWSA-N 1 0 378.450 2.538 20 0 GFADRO C[C@@H]([NH2+]CCn1cnc(Br)n1)c1ccc(N2CCCOC2=O)cc1 ZINC000852083845 661852188 /nfs/dbraw/zinc/85/21/88/661852188.db2.gz MIWBHKLRECYLLM-GFCCVEGCSA-N 1 0 394.273 2.738 20 0 GFADRO O=C1CC[C@H](C[N@H+]2CC[C@@H](Cc3cccc(I)c3)C2)O1 ZINC000852112251 661853050 /nfs/dbraw/zinc/85/30/50/661853050.db2.gz OPTWIPMBLHTQFJ-DZGCQCFKSA-N 1 0 385.245 2.861 20 0 GFADRO CCOP(=O)(OCC)[C@H](O)C[N@@H+]1CC[C@@H](C)[C@H](C(=O)OC(C)(C)C)C1 ZINC000852203585 661856436 /nfs/dbraw/zinc/85/64/36/661856436.db2.gz FKAOHVIMANRRAY-KFWWJZLASA-N 1 0 379.434 2.871 20 0 GFADRO CCn1nncc1C[N@@H+]1CC[C@@]2(C)[C@@H](C1)C2(Br)Br ZINC000852337607 661861413 /nfs/dbraw/zinc/86/14/13/661861413.db2.gz WCOICESZJAHOCP-MNOVXSKESA-N 1 0 378.112 2.626 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)NC[C@H](O)c1cccc(Br)c1 ZINC000852411532 661863659 /nfs/dbraw/zinc/86/36/59/661863659.db2.gz HBYLWMDVWQQDIQ-GJZGRUSLSA-N 1 0 384.318 2.655 20 0 GFADRO Ic1cnnn1C1CC[NH+](C[C@@H]2CC[C@H]3C[C@H]3C2)CC1 ZINC000852532326 661866343 /nfs/dbraw/zinc/86/63/43/661866343.db2.gz HXEVZRYSHWEPRR-FRRDWIJNSA-N 1 0 386.281 2.956 20 0 GFADRO C[C@@](O)(C[N@@H+]1CC[C@@H](CN2CCCC2=O)C1)c1ccc(Br)cc1F ZINC000852678048 661870947 /nfs/dbraw/zinc/87/09/47/661870947.db2.gz AQXHBZDBMGIJHR-FZKQIMNGSA-N 1 0 399.304 2.740 20 0 GFADRO O=C(CC[NH+]1CCC(N2CCOC2=O)CC1)Nc1ccccc1Br ZINC000852722664 661871826 /nfs/dbraw/zinc/87/18/26/661871826.db2.gz XTCXLBDZGHNADV-UHFFFAOYSA-N 1 0 396.285 2.694 20 0 GFADRO CCOC(=O)CC1([NH2+]C[C@@H](O)c2ccccc2Br)CCOCC1 ZINC000852725884 661871919 /nfs/dbraw/zinc/87/19/19/661871919.db2.gz BIJGVRSTMJQQEK-OAHLLOKOSA-N 1 0 386.286 2.575 20 0 GFADRO C[NH2+]C[C@@H]1CCCN(C(=O)c2cnn(-c3ccccc3)c2Br)C1 ZINC000852790337 661874366 /nfs/dbraw/zinc/87/43/66/661874366.db2.gz PILUFVNLBKKNEY-ZDUSSCGKSA-N 1 0 377.286 2.706 20 0 GFADRO C[C@]1(C(=O)NC[C@H]([NH3+])c2ccccc2)CC1(Br)Br ZINC000852796433 661874521 /nfs/dbraw/zinc/87/45/21/661874521.db2.gz SCDPODTTZBHJAJ-CMPLNLGQSA-N 1 0 376.092 2.699 20 0 GFADRO O=C(N[C@H]1C[NH2+]CCC1(F)F)c1cc(Br)cc(N2CCCC2)c1 ZINC000852832032 661875458 /nfs/dbraw/zinc/87/54/58/661875458.db2.gz CUGQPALZKITFSW-AWEZNQCLSA-N 1 0 388.256 2.776 20 0 GFADRO CC(C)(CNC(=O)C1=NO[C@H](C[NH3+])C1)Sc1ccc(Br)cc1 ZINC000852848552 661875759 /nfs/dbraw/zinc/87/57/59/661875759.db2.gz MSPGGKBOHOGBGU-NSHDSACASA-N 1 0 386.315 2.540 20 0 GFADRO C[C@@]1(C(=O)N[C@@H]2CC[NH2+]C3(CCC3)C2)CC1(Br)Br ZINC000852893972 661876630 /nfs/dbraw/zinc/87/66/30/661876630.db2.gz RLCZPNUINRMVEF-KOLCDFICSA-N 1 0 380.124 2.673 20 0 GFADRO C[NH2+]Cc1ccccc1CNC(=O)[C@]1(C)CC1(Br)Br ZINC000852895592 661876667 /nfs/dbraw/zinc/87/66/67/661876667.db2.gz FFCHUPUVBDLYNR-ZDUSSCGKSA-N 1 0 390.119 2.918 20 0 GFADRO O[C@@H](C[NH2+]Cc1ccc(Br)cc1N1CCOCC1)c1ccccn1 ZINC000853104323 661882502 /nfs/dbraw/zinc/88/25/02/661882502.db2.gz SKAOMUBBFFIJMX-SFHVURJKSA-N 1 0 392.297 2.504 20 0 GFADRO C[C@H](CNc1nc(Cl)nc2c(Br)c[nH]c21)C[NH+]1CCOCC1 ZINC000853362154 661887964 /nfs/dbraw/zinc/88/79/64/661887964.db2.gz SSLBLSMJCHLHDL-SECBINFHSA-N 1 0 388.697 2.754 20 0 GFADRO COC1CC[NH+](CCNc2nc(Cl)nc3c(Br)c[nH]c32)CC1 ZINC000853423563 661888621 /nfs/dbraw/zinc/88/86/21/661888621.db2.gz DCRXXJGXHKMAHG-UHFFFAOYSA-N 1 0 388.697 2.897 20 0 GFADRO O=C(N1CCC[C@H]([C@H]2CCCC[N@@H+]2CN2CCSC2=S)C1)C(F)(F)F ZINC000853545466 661891746 /nfs/dbraw/zinc/89/17/46/661891746.db2.gz GGUSDZIJLVWVMZ-QWHCGFSZSA-N 1 0 395.516 2.933 20 0 GFADRO CC[C@H](c1noc(-c2cn(CC[NH3+])nn2)n1)c1ccc(Br)cc1 ZINC000854147264 661916592 /nfs/dbraw/zinc/91/65/92/661916592.db2.gz ASCCQZCWFRJNPO-LBPRGKRZSA-N 1 0 377.246 2.591 20 0 GFADRO CC(C)(Cc1cccc(Br)c1)c1noc(-c2cn(CC[NH3+])nn2)n1 ZINC000854159466 661917128 /nfs/dbraw/zinc/91/71/28/661917128.db2.gz CPEWMTAOLPISEC-UHFFFAOYSA-N 1 0 391.273 2.570 20 0 GFADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2cc(Cl)nc(C(F)(F)F)c2)C1 ZINC000854306290 661923125 /nfs/dbraw/zinc/92/31/25/661923125.db2.gz FMHAACGPIUZLPH-LBPRGKRZSA-N 1 0 379.810 2.840 20 0 GFADRO C[NH+]1CCC(N(Cc2ccccc2Br)C(=O)[C@H](O)C2CC2)CC1 ZINC000854505118 661937826 /nfs/dbraw/zinc/93/78/26/661937826.db2.gz WWHJYVZIXAQUGV-QGZVFWFLSA-N 1 0 381.314 2.643 20 0 GFADRO CC(C)C[C@H](NC(=O)CC[C@@H]1CC1(Cl)Cl)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000854632220 661944601 /nfs/dbraw/zinc/94/46/01/661944601.db2.gz GVWHQURSABMMDV-KFWWJZLASA-N 1 0 392.371 2.654 20 0 GFADRO C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@]1(C)CC1(Br)Br)C2 ZINC000854734807 661952416 /nfs/dbraw/zinc/95/24/16/661952416.db2.gz DLETWJMKWMGJEH-CHWSQXEVSA-N 1 0 394.151 2.827 20 0 GFADRO C[NH+](C)C1CCC(NC(=O)[C@@]2(C)CC2(Br)Br)CC1 ZINC000854962974 661963519 /nfs/dbraw/zinc/96/35/19/661963519.db2.gz FINHXSIBWHSPQJ-RTYFJBAXSA-N 1 0 382.140 2.872 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)/C=C/c2ccc(I)o2)C1 ZINC000855286911 661983056 /nfs/dbraw/zinc/98/30/56/661983056.db2.gz DIILTPXUAAOQDP-OKPNEXGHSA-N 1 0 388.249 2.886 20 0 GFADRO CCN(C(=O)/C=C\c1ccc(I)o1)[C@@H]1CC[N@H+](CC)C1 ZINC000855490623 661993455 /nfs/dbraw/zinc/99/34/55/661993455.db2.gz NBBIJPJOVIMGGR-XYLWRLHESA-N 1 0 388.249 2.840 20 0 GFADRO C[NH+](C)CCC[C@@H]1CN(C(=O)[C@H](O)c2ccc(Cl)c(Cl)c2)CCO1 ZINC000856430945 662033683 /nfs/dbraw/zinc/03/36/83/662033683.db2.gz MRQPBZJJDGXMMW-CZUORRHYSA-N 1 0 375.296 2.596 20 0 GFADRO O=C(NC[C@@H]1CCC[N@H+](CC2CC2)C1)c1sccc1S(=O)(=O)C(F)F ZINC000856477634 662035372 /nfs/dbraw/zinc/03/53/72/662035372.db2.gz SBRWKNIVIYRBOV-LBPRGKRZSA-N 1 0 392.493 2.596 20 0 GFADRO CC[N@H+](C)Cc1cc(O[C@@H]2CCN(c3ncncc3Br)C2)ccn1 ZINC000856533751 662037010 /nfs/dbraw/zinc/03/70/10/662037010.db2.gz MAAGIPCBRQKGPU-OAHLLOKOSA-N 1 0 392.301 2.744 20 0 GFADRO CC[N@H+](C)Cc1cc(O[C@H]2CCN(CC(F)(F)Br)C2)ccn1 ZINC000856583579 662037258 /nfs/dbraw/zinc/03/72/58/662037258.db2.gz KOCWFYWDNJKUBM-AWEZNQCLSA-N 1 0 378.261 2.974 20 0 GFADRO COC(=O)N1CCC[C@H]([C@@H](C)[NH2+]Cc2cc(OC)ncc2Br)C1 ZINC000856735879 662039774 /nfs/dbraw/zinc/03/97/74/662039774.db2.gz GELZBPUJVFNHBP-NEPJUHHUSA-N 1 0 386.290 2.809 20 0 GFADRO C[C@H]([NH2+]C[C@H](O)COC1CCOCC1)c1ccc(C(F)(F)F)nc1Cl ZINC000856779331 662043580 /nfs/dbraw/zinc/04/35/80/662043580.db2.gz WSGBDTINXPBROE-QWRGUYRKSA-N 1 0 382.810 2.961 20 0 GFADRO O=C(NCC[C@@H]1CC1(Cl)Cl)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000856830221 662046244 /nfs/dbraw/zinc/04/62/44/662046244.db2.gz IGMYAPZNUWRXOG-CQSZACIVSA-N 1 0 378.344 2.905 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)N2CC(O)(c3cccc(Br)c3)C2)C1 ZINC000856875456 662048856 /nfs/dbraw/zinc/04/88/56/662048856.db2.gz HTPWIMWMCMDGKH-JKSUJKDBSA-N 1 0 396.329 2.535 20 0 GFADRO CC(C)[N@@H+]1CCCC[C@@H]1COC(=O)c1c(Br)nc2n1CCOC2 ZINC000856953299 662054482 /nfs/dbraw/zinc/05/44/82/662054482.db2.gz KEUQADDRPVZDKM-GFCCVEGCSA-N 1 0 386.290 2.596 20 0 GFADRO [NH3+]Cc1cc(NC(=O)C(=O)NCC[C@H]2CC2(Cl)Cl)cc(C(F)(F)F)c1 ZINC000857099574 662063709 /nfs/dbraw/zinc/06/37/09/662063709.db2.gz WAMRJFQNLIVJRQ-VIFPVBQESA-N 1 0 398.212 2.803 20 0 GFADRO COc1ccc([C@@H](C[NH2+]Cc2cn(C)nc2Br)N(C)C)cc1OC ZINC000858088066 662098007 /nfs/dbraw/zinc/09/80/07/662098007.db2.gz ZSGAPSQIMHTOMR-CQSZACIVSA-N 1 0 397.317 2.592 20 0 GFADRO COCO[C@@H](C)c1cc(F)c(C[NH2+]C[C@@H]2COCCO2)cc1Br ZINC000858100338 662098627 /nfs/dbraw/zinc/09/86/27/662098627.db2.gz DOCQAYHTRUVYDF-WCQYABFASA-N 1 0 392.265 2.775 20 0 GFADRO COc1cccc(N2CCC[C@H]([NH2+]Cc3cn(C)nc3Br)C2)c1 ZINC000858140182 662101084 /nfs/dbraw/zinc/10/10/84/662101084.db2.gz BZUTWSLGTSXAOY-AWEZNQCLSA-N 1 0 379.302 2.950 20 0 GFADRO COc1ccc(CN2CC[C@@H]2C[NH2+]Cc2cn(C)nc2Br)cc1 ZINC000858237141 662105654 /nfs/dbraw/zinc/10/56/54/662105654.db2.gz GUXUNYBMBDRGEX-OAHLLOKOSA-N 1 0 379.302 2.555 20 0 GFADRO C[C@@H]([NH2+]CC(=O)Nc1ccc2c(c1)OCCO2)c1ccc(Br)nc1 ZINC000858564506 662114931 /nfs/dbraw/zinc/11/49/31/662114931.db2.gz OHPZNVXZUQQCBG-LLVKDONJSA-N 1 0 392.253 2.905 20 0 GFADRO C[C@H]([NH2+][C@@H](C)c1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccns1 ZINC000858578239 662115464 /nfs/dbraw/zinc/11/54/64/662115464.db2.gz OXJFETAJESHTTH-KBPBESRZSA-N 1 0 381.523 2.576 20 0 GFADRO CN1CCN(c2cc[nH+]cc2NC(=O)c2cc(Cl)c(N)c(Cl)c2)CC1 ZINC000858723864 662120262 /nfs/dbraw/zinc/12/02/62/662120262.db2.gz AAOGZHSPCHDXDL-UHFFFAOYSA-N 1 0 380.279 2.975 20 0 GFADRO O=C(NCCCC[N@H+]1CCC[C@H]1CO)OCc1ccc(Br)cc1 ZINC000859007945 662131531 /nfs/dbraw/zinc/13/15/31/662131531.db2.gz NTCXFLIDRHSEOD-INIZCTEOSA-N 1 0 385.302 2.912 20 0 GFADRO COC(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CCC[N@@H+](C(C)C)C2)cc1Cl ZINC000859111123 662138403 /nfs/dbraw/zinc/13/84/03/662138403.db2.gz FOTYAFHFMDPBOI-GFCCVEGCSA-N 1 0 389.905 2.669 20 0 GFADRO CC[C@@H]1C[N@H+](C)CCCN1S(=O)(=O)c1ccc(NC(=O)OC)c(Cl)c1 ZINC000859145687 662140577 /nfs/dbraw/zinc/14/05/77/662140577.db2.gz NOASWCMRDBFBAE-GFCCVEGCSA-N 1 0 389.905 2.623 20 0 GFADRO Cn1nc(CN2CCC[C@@H]([N@H+](C)Cc3cc(Cl)n(C)n3)CC2)cc1Cl ZINC000859205176 662144682 /nfs/dbraw/zinc/14/46/82/662144682.db2.gz APVCNXYWRPNJGN-OAHLLOKOSA-N 1 0 385.343 2.947 20 0 GFADRO COC1CC[NH+](C(C)(C)CNC(=O)c2cc(Br)cnc2F)CC1 ZINC000859273876 662149191 /nfs/dbraw/zinc/14/91/91/662149191.db2.gz SBRBZUFPGJGPHW-UHFFFAOYSA-N 1 0 388.281 2.602 20 0 GFADRO O=S(=O)(NC[C@@H]1CC[N@@H+]1C1CCCCC1)c1c(Cl)nc2sccn21 ZINC000859275662 662149265 /nfs/dbraw/zinc/14/92/65/662149265.db2.gz BJFZCBRKLUUVFL-LBPRGKRZSA-N 1 0 388.946 2.735 20 0 GFADRO CC[C@@H](C(=O)NCCN1CC[NH+](CC)CC1)c1ccc(Br)cc1 ZINC000859355111 662155742 /nfs/dbraw/zinc/15/57/42/662155742.db2.gz GWFDBYKDXBRNFI-QGZVFWFLSA-N 1 0 382.346 2.696 20 0 GFADRO Cc1ccc(NC(=O)N2CCC(CO[C@H]3CC[NH2+]C3)CC2)c(Br)n1 ZINC000859664466 662171693 /nfs/dbraw/zinc/17/16/93/662171693.db2.gz CNDDTXYCMWUAJY-AWEZNQCLSA-N 1 0 397.317 2.775 20 0 GFADRO C[NH2+]CCOCCN(C)C(=O)Nc1cc(C(F)(F)F)cc(Br)n1 ZINC000859687725 662172497 /nfs/dbraw/zinc/17/24/97/662172497.db2.gz BKUCAVRVOHPLRZ-UHFFFAOYSA-N 1 0 399.211 2.563 20 0 GFADRO COCC[N@H+](C)CCCC1CCN(C(=O)[C@H]2C[C@]2(C)Br)CC1 ZINC000860508394 662203572 /nfs/dbraw/zinc/20/35/72/662203572.db2.gz ICPYTWVYTZIFLV-WBVHZDCISA-N 1 0 375.351 2.757 20 0 GFADRO COCC[N@@H+]1CCC[C@H]1COC(=O)c1ccc(C(F)(F)Br)nc1 ZINC000861036386 662224960 /nfs/dbraw/zinc/22/49/60/662224960.db2.gz AHVLSBMNSKFMKX-LBPRGKRZSA-N 1 0 393.228 2.793 20 0 GFADRO CO[C@H]1C[N@H+](C)[C@@](C)(COC(=O)[C@H](C)Oc2ccc(Br)cc2)C1 ZINC000861354280 662242077 /nfs/dbraw/zinc/24/20/77/662242077.db2.gz YLCCMFKWSAMPSJ-XGWLTEMNSA-N 1 0 386.286 2.869 20 0 GFADRO CO[C@@H]1C[N@H+](C)[C@@](C)(COC(=O)c2cnn(C(C)(C)C)c2Br)C1 ZINC000861356607 662242482 /nfs/dbraw/zinc/24/24/82/662242482.db2.gz MTZYJPKGAGMIEW-MEDUHNTESA-N 1 0 388.306 2.667 20 0 GFADRO Cc1nc2c(s1)[C@H](NC(=O)N1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1)CCC2 ZINC000861619947 662252098 /nfs/dbraw/zinc/25/20/98/662252098.db2.gz RBFBQDLTORSESW-NTZNESFSSA-N 1 0 376.448 2.998 20 0 GFADRO CC[C@H](C(=O)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1)c1ccc(Br)cc1 ZINC000861719685 662255754 /nfs/dbraw/zinc/25/57/54/662255754.db2.gz MWCILEFGHOAOKW-BBWFWOEESA-N 1 0 381.314 2.610 20 0 GFADRO C[N@@H+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)c1ccc(SC(F)(F)F)nc1 ZINC000861824226 662260111 /nfs/dbraw/zinc/26/01/11/662260111.db2.gz GFQTXXPOIPBEQP-OLZOCXBDSA-N 1 0 375.416 2.629 20 0 GFADRO C[C@]1(Br)C[C@@H]1C(=O)NC1(C[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000862207444 662273047 /nfs/dbraw/zinc/27/30/47/662273047.db2.gz QSZARPBGHAENBT-AEFFLSMTSA-N 1 0 392.341 2.631 20 0 GFADRO Cc1cc(CN2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)ccc1Br ZINC000863642641 662342012 /nfs/dbraw/zinc/34/20/12/662342012.db2.gz UDQXADWMZWLAET-SJORKVTESA-N 1 0 394.313 2.515 20 0 GFADRO C[N@@H+]1C[C@@]2(C)CN(C(=O)c3nn(C(C)(C)C)cc3Br)C[C@@]2(C)C1 ZINC000864078563 662353679 /nfs/dbraw/zinc/35/36/79/662353679.db2.gz XROOGSDZWZKRQL-CALCHBBNSA-N 1 0 383.334 2.814 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)c1cc(Br)ncc1Br)C1CC1 ZINC000864940386 662392063 /nfs/dbraw/zinc/39/20/63/662392063.db2.gz RPSISGCNHKGVOW-LLVKDONJSA-N 1 0 391.107 2.677 20 0 GFADRO C[NH+](C)[C@@H]1CCN(c2ccc(NCc3cccnc3Br)nc2)C1 ZINC000865290479 662409857 /nfs/dbraw/zinc/40/98/57/662409857.db2.gz FPRWKESRCTWRNU-OAHLLOKOSA-N 1 0 376.302 2.992 20 0 GFADRO C[C@H](C[NH2+]Cc1cn(C[C@@H]2CCCO2)nn1)Oc1cccc(Br)c1 ZINC000865478692 662424050 /nfs/dbraw/zinc/42/40/50/662424050.db2.gz LYBQFQIOHFVQQI-DYVFJYSZSA-N 1 0 395.301 2.777 20 0 GFADRO COc1ncc(Br)cc1C[NH2+][C@@H]1CCN(C(=O)C2CCCC2)C1 ZINC000865493523 662424749 /nfs/dbraw/zinc/42/47/49/662424749.db2.gz LEWAFGQNBHKRQX-OAHLLOKOSA-N 1 0 382.302 2.733 20 0 GFADRO OCc1ccc(NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)nc1Br ZINC000865669230 662435228 /nfs/dbraw/zinc/43/52/28/662435228.db2.gz XTDCKKYHDWYOBT-MRXNPFEDSA-N 1 0 392.297 2.515 20 0 GFADRO O=C1OC[C@@]2(C[NH2+]Cc3oc4ccccc4c3Br)COCCN12 ZINC000865771618 662442288 /nfs/dbraw/zinc/44/22/88/662442288.db2.gz XDHKCKFEXWDMEO-MRXNPFEDSA-N 1 0 381.226 2.506 20 0 GFADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)c3cc4ccnc(Cl)c4s3)CC2)C1 ZINC000865896761 662449808 /nfs/dbraw/zinc/44/98/08/662449808.db2.gz RAZKVJYKUMWAMI-AWEZNQCLSA-N 1 0 378.929 2.802 20 0 GFADRO C[NH+]1CCN(c2ccccc2NC(=O)NCc2cc(Br)no2)CC1 ZINC000866104471 662460529 /nfs/dbraw/zinc/46/05/29/662460529.db2.gz CBITVDVQMDULQL-UHFFFAOYSA-N 1 0 394.273 2.511 20 0 GFADRO O=S(=O)(N1CCC(C[NH2+][C@@H]2CCCc3ncccc32)CC1)C(F)(F)F ZINC000866265701 662466489 /nfs/dbraw/zinc/46/64/89/662466489.db2.gz QHPTYPBXFDURGF-OAHLLOKOSA-N 1 0 377.432 2.610 20 0 GFADRO C[C@H]([NH2+]CC[C@@H]1CCSC1)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000866402272 662470592 /nfs/dbraw/zinc/47/05/92/662470592.db2.gz IZMLNLPCBZXYKC-JKSUJKDBSA-N 1 0 384.567 2.501 20 0 GFADRO COC1CC[NH+](CCNC(=O)[C@H]2[C@@H]3c4cc(Br)ccc4C[C@H]23)CC1 ZINC000866415768 662471662 /nfs/dbraw/zinc/47/16/62/662471662.db2.gz DQGPLELECWSVNN-RCCFBDPRSA-N 1 0 393.325 2.562 20 0 GFADRO C[C@@H](CC1CCC1)[NH2+][C@@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000866486536 662476526 /nfs/dbraw/zinc/47/65/26/662476526.db2.gz KLVVEIGGBATWJK-KBPBESRZSA-N 1 0 388.555 2.642 20 0 GFADRO C[C@@H]([NH2+][C@@H](C)CC1CCC1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000866486538 662476551 /nfs/dbraw/zinc/47/65/51/662476551.db2.gz KLVVEIGGBATWJK-UONOGXRCSA-N 1 0 388.555 2.642 20 0 GFADRO CC(C)(C)[NH+]1CCC(NS(=O)(=O)Cc2ncsc2Br)CC1 ZINC000866551531 662480078 /nfs/dbraw/zinc/48/00/78/662480078.db2.gz AQIUULDGIHUXKM-UHFFFAOYSA-N 1 0 396.376 2.588 20 0 GFADRO C[C@H]([NH2+][C@@H]1[C@@H]2Cc3ccc(Br)cc3[C@@H]21)C1CCS(=O)(=O)CC1 ZINC000866610507 662483900 /nfs/dbraw/zinc/48/39/00/662483900.db2.gz MMQACJRYMSWYMQ-WEDJKWTGSA-N 1 0 384.339 2.890 20 0 GFADRO COc1ccccc1C[C@@H](C)[NH2+]Cc1c(I)cnn1C ZINC000866629203 662485096 /nfs/dbraw/zinc/48/50/96/662485096.db2.gz DIOCLYWCTPFCHA-LLVKDONJSA-N 1 0 385.249 2.754 20 0 GFADRO C[NH2+]C[C@H]1CCCN(S(=O)(=O)Cc2cc(C)ccc2Br)C1 ZINC000866735306 662492910 /nfs/dbraw/zinc/49/29/10/662492910.db2.gz STVNIKIDMZTLLL-CYBMUJFWSA-N 1 0 375.332 2.519 20 0 GFADRO C[C@@H]([NH3+])C1CCN(S(=O)(=O)c2oc3ccccc3c2Br)CC1 ZINC000866738631 662493197 /nfs/dbraw/zinc/49/31/97/662493197.db2.gz UGQLAXICRZUWJO-SNVBAGLBSA-N 1 0 387.299 2.943 20 0 GFADRO O=S(=O)(c1ccc2onc(Cl)c2c1)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000866766071 662496047 /nfs/dbraw/zinc/49/60/47/662496047.db2.gz HYUQMCOVPWZFIG-STQMWFEESA-N 1 0 383.901 2.882 20 0 GFADRO C/C(=C\c1ccc(Br)o1)C(=O)NCCCC[N@@H+]1CCC[C@H]1CO ZINC000866783798 662498259 /nfs/dbraw/zinc/49/82/59/662498259.db2.gz VWKSFOTXHSSUSV-CMPYXILNSA-N 1 0 385.302 2.799 20 0 GFADRO [NH3+][C@H]1C[C@H](CNS(=O)(=O)c2cc(Br)c(Cl)cc2Cl)C1 ZINC000866807922 662500255 /nfs/dbraw/zinc/50/02/55/662500255.db2.gz TWSMETOBECMOOJ-LJGSYFOKSA-N 1 0 388.114 2.772 20 0 GFADRO Cc1sc(Br)cc1S(=O)(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000866810335 662500669 /nfs/dbraw/zinc/50/06/69/662500669.db2.gz UVOZYRLHUGDVCF-JGPRNRPPSA-N 1 0 379.345 2.628 20 0 GFADRO O=S(=O)(c1oc2ccccc2c1Br)N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000866820000 662501900 /nfs/dbraw/zinc/50/19/00/662501900.db2.gz PAUVBEOZINSPBD-AAEUAGOBSA-N 1 0 399.310 2.958 20 0 GFADRO O=S(=O)(c1ccc(Cl)c(Br)c1)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000866825466 662502219 /nfs/dbraw/zinc/50/22/19/662502219.db2.gz QMONOGIWYYWWBF-QWHCGFSZSA-N 1 0 379.707 2.618 20 0 GFADRO O=S(=O)(c1ccc(Cl)c(Br)c1)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000866825462 662502231 /nfs/dbraw/zinc/50/22/31/662502231.db2.gz QMONOGIWYYWWBF-CHWSQXEVSA-N 1 0 379.707 2.618 20 0 GFADRO C[N@@H+]1CCC[C@H]2CN(S(=O)(=O)c3ccc4ccnc(Cl)c4c3)CC[C@@H]21 ZINC000866972453 662513341 /nfs/dbraw/zinc/51/33/41/662513341.db2.gz RQMMHKIEXJWLQY-YOEHRIQHSA-N 1 0 379.913 2.993 20 0 GFADRO CS[C@H]1CN(C(=O)c2nc(Br)sc2Cl)C[C@@H]1[NH+](C)C ZINC000867021690 662517193 /nfs/dbraw/zinc/51/71/93/662517193.db2.gz YBBSRBNEESWATG-BQBZGAKWSA-N 1 0 384.752 2.677 20 0 GFADRO CS[C@H]1CN(C(=O)c2ccc(N=S(C)(C)=O)cc2)C[C@H]1[NH+]1CCCC1 ZINC000867383337 662546710 /nfs/dbraw/zinc/54/67/10/662546710.db2.gz VSDMQSZWFQMPAN-SJORKVTESA-N 1 0 381.567 2.698 20 0 GFADRO C[NH+]1CCC2(CCN(S(=O)(=O)c3ccccc3Br)CC2)CC1 ZINC000867620065 662563421 /nfs/dbraw/zinc/56/34/21/662563421.db2.gz LRUADFWKLCBAMN-UHFFFAOYSA-N 1 0 387.343 2.946 20 0 GFADRO O=S(=O)(c1c(Cl)ccnc1Cl)N1CCCN(c2cc[nH+]cc2)CC1 ZINC000867705490 662568398 /nfs/dbraw/zinc/56/83/98/662568398.db2.gz MBRFBILXUJARBT-UHFFFAOYSA-N 1 0 387.292 2.684 20 0 GFADRO COC(=O)c1c(Cl)cccc1S(=O)(=O)NC1CCC(C)([NH+](C)C)CC1 ZINC000867742506 662571689 /nfs/dbraw/zinc/57/16/89/662571689.db2.gz OHLFMGLIPPMFLK-UHFFFAOYSA-N 1 0 388.917 2.668 20 0 GFADRO Cc1nc(-c2ccc(S(=O)(=O)N3CC[C@H]4[C@@H](CC[N@H+]4C)C3)s2)cs1 ZINC000867811346 662578837 /nfs/dbraw/zinc/57/88/37/662578837.db2.gz BKWCQJVTRMINFM-JSGCOSHPSA-N 1 0 383.564 2.895 20 0 GFADRO C[N@@H+]1CC[C@H]2CN(S(=O)(=O)c3oc4ccccc4c3Br)CC[C@@H]21 ZINC000867811056 662578842 /nfs/dbraw/zinc/57/88/42/662578842.db2.gz NBADHVNCCRSPDK-AAEUAGOBSA-N 1 0 399.310 2.910 20 0 GFADRO Cc1csc(-c2ccc(S(=O)(=O)N3CC[C@@H]4[C@@H](CC[N@H+]4C)C3)cc2)n1 ZINC000867812336 662579148 /nfs/dbraw/zinc/57/91/48/662579148.db2.gz WJHIMHMKKCIMFE-DOTOQJQBSA-N 1 0 377.535 2.833 20 0 GFADRO CC(C)n1ncc(C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)c1Br ZINC000867894967 662585960 /nfs/dbraw/zinc/58/59/60/662585960.db2.gz IOUMJGGJADWIMG-UHFFFAOYSA-N 1 0 395.305 2.942 20 0 GFADRO [NH3+][C@@H](C(=O)N1CCC(OC[C@H]2CCCO2)CC1)c1cccc(Br)c1 ZINC000867942588 662588526 /nfs/dbraw/zinc/58/85/26/662588526.db2.gz CRIKLXKKGWPZPI-IAGOWNOFSA-N 1 0 397.313 2.636 20 0 GFADRO CC[C@H]1C[N@H+](C)CCCN1C(=O)[C@H](NC(C)=O)c1cccc(Br)c1 ZINC000867962650 662589542 /nfs/dbraw/zinc/58/95/42/662589542.db2.gz RNHLVUPRLLSFAB-DLBZAZTESA-N 1 0 396.329 2.569 20 0 GFADRO C[C@@H](NC(=O)c1ncc(Br)cc1Br)C1CC[NH2+]CC1 ZINC000868006299 662591062 /nfs/dbraw/zinc/59/10/62/662591062.db2.gz MYHWKUXJKNDWJH-MRVPVSSYSA-N 1 0 391.107 2.725 20 0 GFADRO COC1(C(=O)Nc2ccc(Br)c(Br)c2)CC[NH2+]CC1 ZINC000868029620 662592027 /nfs/dbraw/zinc/59/20/27/662592027.db2.gz NZBSTXSMWZCTGK-UHFFFAOYSA-N 1 0 392.091 2.919 20 0 GFADRO COCCC1(NC(=O)CCc2ccc(OC)c(Br)c2)CC[NH2+]CC1 ZINC000868039732 662592199 /nfs/dbraw/zinc/59/21/99/662592199.db2.gz ITLMRLHWTYIXTB-UHFFFAOYSA-N 1 0 399.329 2.665 20 0 GFADRO COc1ccc(Br)c(CNC(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)c1 ZINC000868066873 662593327 /nfs/dbraw/zinc/59/33/27/662593327.db2.gz QWRKYZCSPHSOFF-MLGOLLRUSA-N 1 0 382.302 2.693 20 0 GFADRO O=C(Nc1cc2c(cc1Br)OCCO2)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000868094938 662594452 /nfs/dbraw/zinc/59/44/52/662594452.db2.gz RSGPQBBWAGMJKN-DGCLKSJQSA-N 1 0 382.258 2.579 20 0 GFADRO COC[C@H](NC(=O)N[C@H](CC[NH3+])C(F)(F)F)c1cccc(Br)c1 ZINC000868166974 662597404 /nfs/dbraw/zinc/59/74/04/662597404.db2.gz ODTUWZZANUTIEM-NWDGAFQWSA-N 1 0 398.223 2.716 20 0 GFADRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1cc(Br)cn2ccnc12 ZINC000868280954 662600433 /nfs/dbraw/zinc/60/04/33/662600433.db2.gz FUCCSTOBMUKZKG-JSGCOSHPSA-N 1 0 377.286 2.796 20 0 GFADRO O=C(Nc1cccc(Cl)c1SC(F)F)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000868280972 662600442 /nfs/dbraw/zinc/60/04/42/662600442.db2.gz GHWBESCZUXESCQ-DTORHVGOSA-N 1 0 375.828 2.556 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000868306467 662601364 /nfs/dbraw/zinc/60/13/64/662601364.db2.gz YDCBECHTGAZSQE-YOWGUQMCSA-N 1 0 394.313 2.651 20 0 GFADRO CC(C)(C)[C@@]1(C[NH3+])CCN(C(=O)C(=O)Nc2ccccc2Br)C1 ZINC000868309188 662601531 /nfs/dbraw/zinc/60/15/31/662601531.db2.gz GFPMYLMOGFHSRI-QGZVFWFLSA-N 1 0 382.302 2.611 20 0 GFADRO O=C(Cc1coc2c1ccc(Cl)c2Cl)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000868343081 662602332 /nfs/dbraw/zinc/60/23/32/662602332.db2.gz GCZPMGCOPYJTLV-QWHCGFSZSA-N 1 0 383.275 2.950 20 0 GFADRO C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1cc(Br)ncc1Br ZINC000868567899 662609862 /nfs/dbraw/zinc/60/98/62/662609862.db2.gz WWWIUKPGPYWHPD-KWQFWETISA-N 1 0 391.107 2.771 20 0 GFADRO O=C(NCC[NH+]1CCC(O)CC1)c1ccc2ccc(Br)cc2c1 ZINC000868758364 662618010 /nfs/dbraw/zinc/61/80/10/662618010.db2.gz SATXQHSEHVVTSB-UHFFFAOYSA-N 1 0 377.282 2.789 20 0 GFADRO C[NH+](C)C[C@@H](NC(=O)/C=C/CN1CCOCC1)c1ccc(Cl)c(Cl)c1 ZINC000869447298 662647163 /nfs/dbraw/zinc/64/71/63/662647163.db2.gz MVEDIKRVGGSPNN-REMYHPOOSA-N 1 0 386.323 2.601 20 0 GFADRO CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)c2cc(Cl)cc(F)c2Br)C1 ZINC000869777342 662661230 /nfs/dbraw/zinc/66/12/30/662661230.db2.gz MVXDCLKXLPAIIM-JTQLQIEISA-N 1 0 393.684 2.817 20 0 GFADRO O=C(c1cc(Br)cn2ccnc12)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000870852486 662703385 /nfs/dbraw/zinc/70/33/85/662703385.db2.gz GQFMCLNTHAEPIV-WFASDCNBSA-N 1 0 377.286 2.701 20 0 GFADRO O=C(c1cc(Br)cn2ccnc12)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000870852484 662703431 /nfs/dbraw/zinc/70/34/31/662703431.db2.gz GQFMCLNTHAEPIV-IUODEOHRSA-N 1 0 377.286 2.701 20 0 GFADRO C[C@@H]1[C@H](C(=O)Nc2ccc(N3CC[C@@H](CO)C3)c(Br)c2)CC[N@@H+]1C ZINC000870888466 662705389 /nfs/dbraw/zinc/70/53/89/662705389.db2.gz NDZQJMMHKMCVPL-UMVBOHGHSA-N 1 0 396.329 2.546 20 0 GFADRO CC(C)[C@H](C(=O)Nc1ccc(N2CC[C@H](CO)C2)c(Br)c1)[NH+](C)C ZINC000870889592 662706113 /nfs/dbraw/zinc/70/61/13/662706113.db2.gz MPEZIJYKKNPFDC-SUMWQHHRSA-N 1 0 398.345 2.792 20 0 GFADRO O=C(Cc1coc2c1ccc(Cl)c2Cl)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000870914712 662708076 /nfs/dbraw/zinc/70/80/76/662708076.db2.gz RIXJWDPLQJGWBN-CYBMUJFWSA-N 1 0 382.291 2.788 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CN(C(=O)c2ccc(OC(F)(F)F)cc2Br)CCO1 ZINC000870938490 662709251 /nfs/dbraw/zinc/70/92/51/662709251.db2.gz QGSDCPALPDRUBQ-PRHODGIISA-N 1 0 397.191 2.536 20 0 GFADRO O=C(N[C@H]1CCC[NH2+]CC1)c1c(F)ccc(I)c1Cl ZINC000870941620 662709454 /nfs/dbraw/zinc/70/94/54/662709454.db2.gz ZKLJVSURHRJSNH-QMMMGPOBSA-N 1 0 396.631 2.956 20 0 GFADRO C[C@@H](NC(=O)[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)C1CC[NH2+]CC1 ZINC000870984181 662712114 /nfs/dbraw/zinc/71/21/14/662712114.db2.gz IZCRSDMFWTYNKE-BXUZGUMPSA-N 1 0 384.307 2.851 20 0 GFADRO CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)CN2C(=S)N=NC2c2cccs2)C1 ZINC000870996200 662712593 /nfs/dbraw/zinc/71/25/93/662712593.db2.gz ZMIGYJDRJTZRQE-KRWDZBQOSA-N 1 0 379.555 2.519 20 0 GFADRO Cc1cc([C@H]([NH3+])CC(=O)NCc2ncc(Br)s2)cc(Cl)n1 ZINC000871012518 662712876 /nfs/dbraw/zinc/71/28/76/662712876.db2.gz WYVCZHJBSCWQEF-SECBINFHSA-N 1 0 389.706 2.969 20 0 GFADRO O=c1c2cnn(C3CC[NH2+]CC3)c2ncn1Cc1c(Cl)cccc1Cl ZINC000871676679 662731010 /nfs/dbraw/zinc/73/10/10/662731010.db2.gz FOLHFJIUNATFIT-UHFFFAOYSA-N 1 0 378.263 2.873 20 0 GFADRO COc1ccc(NNC(=S)NCC2CC[NH+](C)CC2)c(Br)c1 ZINC000871686932 662731293 /nfs/dbraw/zinc/73/12/93/662731293.db2.gz KGJZWDNNENWMKS-UHFFFAOYSA-N 1 0 387.347 2.591 20 0 GFADRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2cc(Cl)cc(Cl)c2)C[C@@H]1C(F)(F)F ZINC000871811484 662734963 /nfs/dbraw/zinc/73/49/63/662734963.db2.gz PCZIUIVYBRJPHE-HQJQHLMTSA-N 1 0 377.215 2.751 20 0 GFADRO Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000871814230 662735444 /nfs/dbraw/zinc/73/54/44/662735444.db2.gz RALPCOUDWIRUAG-KOLCDFICSA-N 1 0 390.349 2.772 20 0 GFADRO Brc1cccc([C@H]([NH2+]CCCN2CCOCC2)[C@@H]2CCOC2)c1 ZINC000872017294 662753920 /nfs/dbraw/zinc/75/39/20/662753920.db2.gz YXYVIMRUMJRDMK-AEFFLSMTSA-N 1 0 383.330 2.839 20 0 GFADRO O=C(C[NH2+][C@@H](c1cccc(Br)c1)[C@@H]1CCOC1)NCC(F)(F)F ZINC000872027165 662754064 /nfs/dbraw/zinc/75/40/64/662754064.db2.gz IEHGWMDEEZTIIF-RISCZKNCSA-N 1 0 395.219 2.795 20 0 GFADRO CCS(=O)(=O)CCC[NH2+][C@H](c1cccc(Br)c1)[C@@H]1CCOC1 ZINC000872080845 662755395 /nfs/dbraw/zinc/75/53/95/662755395.db2.gz SWFARQKJQZWJRO-GDBMZVCRSA-N 1 0 390.343 2.941 20 0 GFADRO C[C@H]([NH2+]CC1C[C@H]2CC[C@@H](C1)S2(=O)=O)c1ncc(Br)cc1F ZINC000872119155 662756180 /nfs/dbraw/zinc/75/61/80/662756180.db2.gz OLRWIUIPPIKQFM-FZMOHWGLSA-N 1 0 391.306 2.990 20 0 GFADRO Cc1ccc(NC(=O)CN2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)c(Br)c1 ZINC000872150305 662756791 /nfs/dbraw/zinc/75/67/91/662756791.db2.gz ZIAAZRHREJSTGB-WDEREUQCSA-N 1 0 394.235 2.765 20 0 GFADRO CC[C@@H]1c2ccsc2CCN1C(=O)CN1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000872151822 662757036 /nfs/dbraw/zinc/75/70/36/662757036.db2.gz XWLKDZOWMMMXPF-IACUBPJLSA-N 1 0 375.460 2.653 20 0 GFADRO C[NH+](C)C[C@H](N)c1nc(-c2cc(Br)sc2Br)no1 ZINC000872180181 662757400 /nfs/dbraw/zinc/75/74/00/662757400.db2.gz MIBIXWFXUBGBCX-LURJTMIESA-N 1 0 396.108 2.885 20 0 GFADRO O[C@H](C[NH2+]C[C@@H]1C[C@H]1C1CCOCC1)COc1ccc(Br)cc1 ZINC000872231217 662758527 /nfs/dbraw/zinc/75/85/27/662758527.db2.gz DKYOGLHLSPMTJY-LESCRADOSA-N 1 0 384.314 2.841 20 0 GFADRO CC(=O)c1ccc(OC[C@@H](O)C[NH2+]Cc2ccc(Br)cn2)cc1 ZINC000872233635 662758613 /nfs/dbraw/zinc/75/86/13/662758613.db2.gz DMPRMXNEPGOBOI-INIZCTEOSA-N 1 0 379.254 2.576 20 0 GFADRO COc1ccccc1COC[C@@H](O)C[NH2+]Cc1ccc(Br)cn1 ZINC000872234831 662758826 /nfs/dbraw/zinc/75/88/26/662758826.db2.gz ZCQMJLNELSRGPW-INIZCTEOSA-N 1 0 381.270 2.520 20 0 GFADRO O[C@H](C[NH2+]CCn1ccc(C(F)(F)F)n1)c1cccc(Br)c1 ZINC000872246642 662759237 /nfs/dbraw/zinc/75/92/37/662759237.db2.gz HXNUZGBYMGSSOH-GFCCVEGCSA-N 1 0 378.192 2.988 20 0 GFADRO CC1(C)CC[NH2+]CCN1C(=O)C1CCN(C(=O)c2ccc(Cl)s2)CC1 ZINC000872294378 662759836 /nfs/dbraw/zinc/75/98/36/662759836.db2.gz XXYSMOUWZLQDBN-UHFFFAOYSA-N 1 0 383.945 2.854 20 0 GFADRO C[NH+](C)C1CCN(S(=O)(=O)CCCc2ccc(C(F)(F)F)cc2)CC1 ZINC000872435815 662766135 /nfs/dbraw/zinc/76/61/35/662766135.db2.gz HYNLOGNWBHNLFP-UHFFFAOYSA-N 1 0 378.460 2.994 20 0 GFADRO Fc1cccc(C[NH2+]CCOC[C@@H]2CCOC2)c1I ZINC000873048554 662797518 /nfs/dbraw/zinc/79/75/18/662797518.db2.gz DLKSMQQIEQOUPF-LLVKDONJSA-N 1 0 379.213 2.573 20 0 GFADRO Cc1sc(C[NH2+]C[C@H]2CCC[C@]23NC(=O)N(C)C3=O)cc1Br ZINC000873068900 662798389 /nfs/dbraw/zinc/79/83/89/662798389.db2.gz CLBRPUVHASCRAF-BMIGLBTASA-N 1 0 386.315 2.629 20 0 GFADRO COc1ccc(Cn2cc(C[NH2+][C@@H]3CC[C@H]4SCCS[C@H]34)nn2)cc1 ZINC000873097855 662799549 /nfs/dbraw/zinc/79/95/49/662799549.db2.gz XFVIZEJOLCLKEE-KZNAEPCWSA-N 1 0 376.551 2.804 20 0 GFADRO C[N@@H+]1CC[C@@]2(CCN(C(=O)NCc3cc(C(F)(F)F)cc(Cl)n3)C2)C1 ZINC000873182824 662803416 /nfs/dbraw/zinc/80/34/16/662803416.db2.gz VIYNQQLCLXISSU-OAHLLOKOSA-N 1 0 376.810 2.991 20 0 GFADRO C[N@@H+]1CC[C@H]2CN(C(=O)NCc3cc(C(F)(F)F)cc(Cl)n3)CC[C@@H]21 ZINC000873183266 662803420 /nfs/dbraw/zinc/80/34/20/662803420.db2.gz BCHXLTCIKQFLQM-GWCFXTLKSA-N 1 0 376.810 2.989 20 0 GFADRO COc1ccc(C[C@](C)(CO)[NH2+]Cc2ccncc2Br)cc1OC ZINC000873193067 662803708 /nfs/dbraw/zinc/80/37/08/662803708.db2.gz NAUYTWASAHSDDL-GOSISDBHSA-N 1 0 395.297 2.945 20 0 GFADRO [NH3+]C[C@@H]1CN(Cc2cnc3ccc(Br)cn23)C[C@H]1C(F)(F)F ZINC000873227742 662804179 /nfs/dbraw/zinc/80/41/79/662804179.db2.gz LRYXLWKDMYPKOP-BXKDBHETSA-N 1 0 377.208 2.666 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)Nc2nc(C3CCOCC3)cs2)C[C@@H]1C(F)(F)F ZINC000873323846 662805479 /nfs/dbraw/zinc/80/54/79/662805479.db2.gz IDHJGNMTUHXEHT-MNOVXSKESA-N 1 0 378.420 2.638 20 0 GFADRO CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)c1cc(N)nc(Br)c1 ZINC000874264444 662827001 /nfs/dbraw/zinc/82/70/01/662827001.db2.gz VLQPJUGNXZWLOS-UHFFFAOYSA-N 1 0 377.286 2.760 20 0 GFADRO COC(=O)c1cc(Br)cc(C(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3C)c1 ZINC000874830899 662837832 /nfs/dbraw/zinc/83/78/32/662837832.db2.gz WWDNEIDHCIIUMI-HUUCEWRRSA-N 1 0 381.270 2.544 20 0 GFADRO Cn1cc([C@H]2C[N@H+](C)CC[C@H]2C(=O)Oc2cc(F)ccc2Br)cn1 ZINC000875471322 662846598 /nfs/dbraw/zinc/84/65/98/662846598.db2.gz YTPYMWSKNHEHPN-ZIAGYGMSSA-N 1 0 396.260 2.963 20 0 GFADRO Cc1ccc(OC(=O)[C@H]2CC[N@@H+](C)C[C@@H]2c2cnn(C)c2)c(Br)n1 ZINC000875559693 662848099 /nfs/dbraw/zinc/84/80/99/662848099.db2.gz XVWCERGRIWWIDI-UONOGXRCSA-N 1 0 393.285 2.527 20 0 GFADRO C[C@H]1CN(C(=O)NCc2ccc(Br)cn2)CC[N@@H+](C2CCC2)C1 ZINC000876214163 662856717 /nfs/dbraw/zinc/85/67/17/662856717.db2.gz ISLLSMCHYTYTRJ-CYBMUJFWSA-N 1 0 381.318 2.860 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCc2ncc(Br)s2)[C@@H](C)C1 ZINC000876287699 662859126 /nfs/dbraw/zinc/85/91/26/662859126.db2.gz VZTGIVWVKOGLDD-WDEREUQCSA-N 1 0 375.336 2.777 20 0 GFADRO CCOC(=O)Cc1csc(N(CC[NH+](C)C)C(=O)c2ccoc2Cl)n1 ZINC000876317046 662859669 /nfs/dbraw/zinc/85/96/69/662859669.db2.gz QYCJUSDWUNLBQE-UHFFFAOYSA-N 1 0 385.873 2.704 20 0 GFADRO O=C(NCc1ccc(C(F)(F)F)s1)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000876342853 662860164 /nfs/dbraw/zinc/86/01/64/662860164.db2.gz WCFWVJBJSOXUDW-GFCCVEGCSA-N 1 0 377.432 2.508 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)/C=C\[C@H]1CCC[NH2+]C1 ZINC000876558288 662862822 /nfs/dbraw/zinc/86/28/22/662862822.db2.gz QJCPUGMKKZHOHS-BMWLXYDHSA-N 1 0 394.313 2.710 20 0 GFADRO O=C(N1CCO[C@H](c2ccc(Br)cc2)C1)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000876616226 662863513 /nfs/dbraw/zinc/86/35/13/662863513.db2.gz UVDLFPKXIPUSRV-JZXOWHBKSA-N 1 0 379.298 2.881 20 0 GFADRO C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCO[C@@H](c2cccc(Br)c2)C1 ZINC000876627749 662863625 /nfs/dbraw/zinc/86/36/25/662863625.db2.gz JZAZCRLZKZYWFT-CSMVQNGWSA-N 1 0 379.298 2.761 20 0 GFADRO Cc1nc(C2CC[NH2+]CC2)sc1C(=O)N1C[C@H](C(F)(F)F)O[C@@H](C)C1 ZINC000876684141 662864593 /nfs/dbraw/zinc/86/45/93/662864593.db2.gz AYYCRCAYMXGOAR-JOYOIKCWSA-N 1 0 377.432 2.710 20 0 GFADRO C[N@H+](Cc1cccc(Cl)c1Br)C1CCN(S(C)(=O)=O)CC1 ZINC000876809628 662866809 /nfs/dbraw/zinc/86/68/09/662866809.db2.gz VUANRGYQYHXJAK-UHFFFAOYSA-N 1 0 395.750 2.958 20 0 GFADRO O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1cc2ccnc(Cl)c2s1 ZINC000876840550 662867170 /nfs/dbraw/zinc/86/71/70/662867170.db2.gz CAGSOJRSGJYYSU-LLVKDONJSA-N 1 0 392.834 2.516 20 0 GFADRO O=C(NCc1cc(Br)ccc1Br)[C@H](F)[C@@H]1CC[NH2+]C1 ZINC000876880761 662867659 /nfs/dbraw/zinc/86/76/59/662867659.db2.gz ZLRIQRPUPGWDMH-PRHODGIISA-N 1 0 394.082 2.775 20 0 GFADRO COC(=O)c1sc2c(c1Br)CN(C(=O)[C@H]1CC[C@@H]([NH3+])CC1)C2 ZINC000876980240 662869077 /nfs/dbraw/zinc/86/90/77/662869077.db2.gz BIXPBPKHZDVVFZ-DTORHVGOSA-N 1 0 387.299 2.657 20 0 GFADRO COC(=O)c1sc2c(c1Br)CN(C(=O)CC[NH2+]CC1CC1)C2 ZINC000876982122 662869238 /nfs/dbraw/zinc/86/92/38/662869238.db2.gz VXEMTGVPTRJXEE-UHFFFAOYSA-N 1 0 387.299 2.529 20 0 GFADRO COC(=O)c1ccc(C[NH2+]CCCOC[C@H]2CCOC2)cc1Br ZINC000877059582 662870273 /nfs/dbraw/zinc/87/02/73/662870273.db2.gz OTBQPOUOCGXQDP-CQSZACIVSA-N 1 0 386.286 2.769 20 0 GFADRO O[C@@H]1CCC[C@@H]1[NH+]1CCC(NCc2nc(Cl)ccc2Br)CC1 ZINC000877089592 662871023 /nfs/dbraw/zinc/87/10/23/662871023.db2.gz OKQRHYSCSPWNGR-LSDHHAIUSA-N 1 0 388.737 2.965 20 0 GFADRO O=C(/C=C/c1ccc(Br)o1)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000877114677 662871190 /nfs/dbraw/zinc/87/11/90/662871190.db2.gz XREQWYJCSXTJHC-TXTHVTMNSA-N 1 0 383.286 2.672 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)c(C)c1C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000877242171 662872383 /nfs/dbraw/zinc/87/23/83/662872383.db2.gz GHQXQAJHCWMEAT-XBXGTLAGSA-N 1 0 377.286 2.719 20 0 GFADRO O=C(c1cnn(-c2ccccc2)c1Br)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000877275523 662872906 /nfs/dbraw/zinc/87/29/06/662872906.db2.gz UHGCTYJGBXUNEB-CABCVRRESA-N 1 0 375.270 2.601 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000877277756 662873005 /nfs/dbraw/zinc/87/30/05/662873005.db2.gz ONSMTVFKCQQMOH-IRXDYDNUSA-N 1 0 389.297 2.910 20 0 GFADRO O=C(NC[C@H]1CC2(CO1)CC[NH2+]CC2)c1cc(F)c(Br)cc1F ZINC000877326640 662873650 /nfs/dbraw/zinc/87/36/50/662873650.db2.gz CMUABKCYAMZZCG-SNVBAGLBSA-N 1 0 389.240 2.616 20 0 GFADRO O=C(NC[C@H]1CC2(CO1)CC[NH2+]CC2)c1cc(-c2ccc(Cl)s2)on1 ZINC000877336067 662873834 /nfs/dbraw/zinc/87/38/34/662873834.db2.gz KIALYVVAMCBXCD-LLVKDONJSA-N 1 0 381.885 2.945 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)CCc2ccc(Br)cc2)C[C@H]1C(F)(F)F ZINC000877368030 662874851 /nfs/dbraw/zinc/87/48/51/662874851.db2.gz OWPWUTQVUDRITR-WCQYABFASA-N 1 0 379.220 2.977 20 0 GFADRO COC(=O)c1ccc(C[NH2+][C@H](CCO)C2CCOCC2)cc1Br ZINC000877370402 662874953 /nfs/dbraw/zinc/87/49/53/662874953.db2.gz VMNPDEJFTZZSLL-MRXNPFEDSA-N 1 0 386.286 2.503 20 0 GFADRO C[C@]12C[NH2+]C[C@H]1CN(C(=O)c1cc(-c3cccc(Br)c3)no1)C2 ZINC000877372660 662875084 /nfs/dbraw/zinc/87/50/84/662875084.db2.gz NAVWUXGUOZSOGO-YVEFUNNKSA-N 1 0 376.254 2.786 20 0 GFADRO Cc1nc(C2CC[NH2+]CC2)sc1C(=O)N1CCO[C@@H](C(F)(F)F)CC1 ZINC000877383367 662875176 /nfs/dbraw/zinc/87/51/76/662875176.db2.gz YWMCKRSIGRYRCJ-GFCCVEGCSA-N 1 0 377.432 2.712 20 0 GFADRO O=C(CCC[S@](=O)c1ccc(Br)cc1)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000877391694 662875282 /nfs/dbraw/zinc/87/52/82/662875282.db2.gz KJLSRBCOJKXZPC-YGJVYZRNSA-N 1 0 399.354 2.738 20 0 GFADRO O=C(N[C@]12CCC[C@@H]1[NH2+]CC2)c1ccc(I)cc1Cl ZINC000877395278 662875401 /nfs/dbraw/zinc/87/54/01/662875401.db2.gz ZUMXVFHVRSUEFB-JSGCOSHPSA-N 1 0 390.652 2.959 20 0 GFADRO CN(C)c1noc(CN[C@H]2CCN(C)[C@@H](c3ccc(Br)cc3)C2)n1 ZINC000877411381 662875621 /nfs/dbraw/zinc/87/56/21/662875621.db2.gz NGFDBIAYMXSYFP-LSDHHAIUSA-N 1 0 394.317 2.823 20 0 GFADRO CS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](C[C@@H]([NH3+])C3CCCC3)C2)s1 ZINC000877443230 662876013 /nfs/dbraw/zinc/87/60/13/662876013.db2.gz CBUUBIYLFFSWEP-DZGCQCFKSA-N 1 0 384.567 2.911 20 0 GFADRO CCOP(=O)(CCC[NH+]1CCC(C(=O)Nc2nncs2)CC1)OCC ZINC000877521768 662877918 /nfs/dbraw/zinc/87/79/18/662877918.db2.gz CWIMNLVGDWTMCW-UHFFFAOYSA-N 1 0 390.446 2.845 20 0 GFADRO COC(=O)c1ccc(C[NH2+][C@@H]2COc3ccccc3[C@@H]2O)cc1Br ZINC000877538112 662878526 /nfs/dbraw/zinc/87/85/26/662878526.db2.gz VMBUEBVNRXAJMZ-WBVHZDCISA-N 1 0 392.249 2.820 20 0 GFADRO CS(=O)(=O)[C@@H]1CCC[C@@H]([NH2+]Cc2nc(C(F)(F)F)n3c2CCCC3)C1 ZINC000877732889 662882541 /nfs/dbraw/zinc/88/25/41/662882541.db2.gz OZHNFMAPGKTNLG-VXGBXAGGSA-N 1 0 379.448 2.684 20 0 GFADRO COC(=O)[C@@H](C)C[N@@H+](Cc1ccccc1)C[C@H](O)c1cc(Br)no1 ZINC000878035794 662888722 /nfs/dbraw/zinc/88/87/22/662888722.db2.gz DTKCMLAMMXVNNB-JSGCOSHPSA-N 1 0 397.269 2.782 20 0 GFADRO CN(C[C@H](O)c1cc(Br)no1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000878272271 662892903 /nfs/dbraw/zinc/89/29/03/662892903.db2.gz YHDMLVOCEWLOMN-GJZGRUSLSA-N 1 0 380.286 2.677 20 0 GFADRO C[C@H]1CN(CCc2ccccc2Br)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000878323980 662893859 /nfs/dbraw/zinc/89/38/59/662893859.db2.gz FRPSHCDCDGMGKF-QFBILLFUSA-N 1 0 380.374 2.949 20 0 GFADRO CC(C)N1CC[NH+](C2CCN(Cc3ncccc3Br)CC2)CC1 ZINC000878323363 662893866 /nfs/dbraw/zinc/89/38/66/662893866.db2.gz WBVHYVAZELUNQA-UHFFFAOYSA-N 1 0 381.362 2.835 20 0 GFADRO C[C@H]([NH2+]C[C@H](O)c1cc(Br)no1)c1ccc(Br)cn1 ZINC000878538212 662898515 /nfs/dbraw/zinc/89/85/15/662898515.db2.gz VLMSBSBKCBWSOW-XVKPBYJWSA-N 1 0 391.063 2.979 20 0 GFADRO C[NH+]1CCC(NC(=O)CN2CCC[C@@H]2c2ccc(Br)c(F)c2)CC1 ZINC000878546944 662898639 /nfs/dbraw/zinc/89/86/39/662898639.db2.gz RIWXWWBUOBHLOA-QGZVFWFLSA-N 1 0 398.320 2.936 20 0 GFADRO O[C@H](C[N@@H+]1CC[C@H](c2ccc3cccnc3n2)C1)c1cc(Br)no1 ZINC000878905410 662909286 /nfs/dbraw/zinc/90/92/86/662909286.db2.gz UQDVMGJULVRRNX-GXTWGEPZSA-N 1 0 389.253 2.903 20 0 GFADRO O=C(Nc1cccnc1Br)N1CCC([NH2+]C2CCOCC2)CC1 ZINC000878972935 662911840 /nfs/dbraw/zinc/91/18/40/662911840.db2.gz NDNZNGOZOLJHCO-UHFFFAOYSA-N 1 0 383.290 2.609 20 0 GFADRO C[C@@H]([NH2+]C[C@H](O)CC1(O)CCOCC1)c1ccc(C(F)(F)F)nc1Cl ZINC000879018854 662913395 /nfs/dbraw/zinc/91/33/95/662913395.db2.gz ZPOPJUQQJWPURB-GHMZBOCLSA-N 1 0 382.810 2.697 20 0 GFADRO Cc1cc(NC(=O)N2CCC([NH2+]C3CCOCC3)CC2)cnc1Br ZINC000879149906 662918786 /nfs/dbraw/zinc/91/87/86/662918786.db2.gz XPLSOYPPQZEDMY-UHFFFAOYSA-N 1 0 397.317 2.917 20 0 GFADRO Cc1ccc(NC(=O)N2CCC[C@H]([NH2+]C3CCOCC3)C2)nc1Br ZINC000879510503 662928050 /nfs/dbraw/zinc/92/80/50/662928050.db2.gz FZYWMPLALLUTSB-AWEZNQCLSA-N 1 0 397.317 2.917 20 0 GFADRO C[N@@H+]1CC[C@H]2CN(C(=O)Nc3ccc4nccnc4c3Br)CC[C@@H]21 ZINC000879547764 662928881 /nfs/dbraw/zinc/92/88/81/662928881.db2.gz FMEYKMQJIXUBGE-FZMZJTMJSA-N 1 0 390.285 2.950 20 0 GFADRO C[N@@H+]1CC[C@H]2CN(CC(=O)Nc3c(F)cc(F)cc3Br)CC[C@@H]21 ZINC000879575825 662929713 /nfs/dbraw/zinc/92/97/13/662929713.db2.gz PWGUHCBNMRJVEX-HZMBPMFUSA-N 1 0 388.256 2.692 20 0 GFADRO C[N@@H+]1CC[C@H]2CN(Cc3noc(Cc4ccc(Br)cc4)n3)CC[C@@H]21 ZINC000879573458 662929781 /nfs/dbraw/zinc/92/97/81/662929781.db2.gz OJTBFNQRRUXWSC-HOCLYGCPSA-N 1 0 391.313 2.949 20 0 GFADRO Cc1c(Br)nccc1NC(=O)N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000879660116 662934675 /nfs/dbraw/zinc/93/46/75/662934675.db2.gz MYNKPKZNWWTPTD-AWEZNQCLSA-N 1 0 397.317 2.917 20 0 GFADRO Cc1nn(CCS(C)(=O)=O)c(C)c1C[NH2+][C@@H]1CC=CC[C@H]1C(F)(F)F ZINC000879672090 662935906 /nfs/dbraw/zinc/93/59/06/662935906.db2.gz NPSCJQRRBZRXLH-HUUCEWRRSA-N 1 0 379.448 2.531 20 0 GFADRO Cc1csc([C@@H]2CC[N@H+](CCN(Cc3ccccc3)S(C)(=O)=O)C2)n1 ZINC000880012222 662945192 /nfs/dbraw/zinc/94/51/92/662945192.db2.gz OBKDMIVGTPANSY-QGZVFWFLSA-N 1 0 379.551 2.703 20 0 GFADRO Cn1cc(NC(=O)NC2CC[NH+](Cc3ccccc3)CC2)c(Br)n1 ZINC000880038741 662946183 /nfs/dbraw/zinc/94/61/83/662946183.db2.gz NLTJKKZOOPPQEX-UHFFFAOYSA-N 1 0 392.301 2.969 20 0 GFADRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)Nc1cn(C)nc1Br ZINC000880054801 662948281 /nfs/dbraw/zinc/94/82/81/662948281.db2.gz MDSZBNLFEZJRNW-GXTWGEPZSA-N 1 0 392.301 2.825 20 0 GFADRO OC[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1coc(-c2ccc(Br)cc2)n1 ZINC000880069724 662950033 /nfs/dbraw/zinc/95/00/33/662950033.db2.gz WIFHGPYQAANFGF-DLBZAZTESA-N 1 0 392.297 2.745 20 0 GFADRO CC(C)(C)S(=O)(=O)CCC[NH2+][C@@H](Cc1ccccc1)[C@H](O)C(F)(F)F ZINC000880599947 662963891 /nfs/dbraw/zinc/96/38/91/662963891.db2.gz DNAAXMILWOXSJS-GJZGRUSLSA-N 1 0 381.460 2.714 20 0 GFADRO COc1cc(Br)ccc1NC(=O)NCC(C)(C)N1CC[NH+](C)CC1 ZINC000880630872 662965692 /nfs/dbraw/zinc/96/56/92/662965692.db2.gz LOXHYIBGHNAHSP-UHFFFAOYSA-N 1 0 399.333 2.605 20 0 GFADRO COc1cc(Br)ccc1NC(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000880631745 662965862 /nfs/dbraw/zinc/96/58/62/662965862.db2.gz JYHPMOQELBPKKK-UHFFFAOYSA-N 1 0 382.262 2.860 20 0 GFADRO COCC[N@H+](C)CCCNC(=O)Nc1cc(C(C)=O)ccc1Br ZINC000880806180 662972962 /nfs/dbraw/zinc/97/29/62/662972962.db2.gz ZHVNHSZKBIDROE-UHFFFAOYSA-N 1 0 386.290 2.742 20 0 GFADRO C[C@H]([NH3+])c1cn(CC(=O)Nc2ccc(Br)c(C(F)(F)F)c2)nn1 ZINC000881124447 662982184 /nfs/dbraw/zinc/98/21/84/662982184.db2.gz OEGUTMAJFQFBCX-ZETCQYMHSA-N 1 0 392.179 2.718 20 0 GFADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)Nc1cccc(F)c1Br ZINC000881140053 662982966 /nfs/dbraw/zinc/98/29/66/662982966.db2.gz PRBGJFRRRFPWAM-LBPRGKRZSA-N 1 0 387.297 2.736 20 0 GFADRO Cc1cc(N2CCC[C@H](n3cc([C@@H](C)[NH3+])nn3)C2=O)ccc1Br ZINC000881339683 662990310 /nfs/dbraw/zinc/99/03/10/662990310.db2.gz QGAFDAADFJVKHL-ABAIWWIYSA-N 1 0 378.274 2.737 20 0 GFADRO NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)c2cccc(Cl)c2Cl)CC1 ZINC000881618692 662998235 /nfs/dbraw/zinc/99/82/35/662998235.db2.gz NAEUQEJAGLGRRU-UHFFFAOYSA-N 1 0 384.307 2.939 20 0 GFADRO C[NH+](C)CCOc1ccccc1CNS(=O)(=O)CC[C@@H]1CC1(Cl)Cl ZINC000881840800 663005477 /nfs/dbraw/zinc/00/54/77/663005477.db2.gz CNYUETGBHQIJHF-CQSZACIVSA-N 1 0 395.352 2.630 20 0 GFADRO CN(CC1CC[NH+](C)CC1)S(=O)(=O)c1cnc(Cl)cc1C(F)(F)F ZINC000881863346 663006668 /nfs/dbraw/zinc/00/66/68/663006668.db2.gz MBHGZNSZJHJWTF-UHFFFAOYSA-N 1 0 385.839 2.716 20 0 GFADRO C[S@](=O)(=NS(=O)(=O)N1CCC[C@H]([NH+]2CCCC2)CC1)C1CCCCC1 ZINC000881911543 663009491 /nfs/dbraw/zinc/00/94/91/663009491.db2.gz ILVJTSHVMDANRM-UPCLLVRISA-N 1 0 391.603 2.612 20 0 GFADRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2S(=O)(=O)c2cnc(Cl)cc2C(F)(F)F)C1 ZINC000882001251 663013005 /nfs/dbraw/zinc/01/30/05/663013005.db2.gz NBLUSHVBTZWSOA-ZYHUDNBSSA-N 1 0 397.850 2.859 20 0 GFADRO C[C@@H]1CN(c2ccc([S@@](=N)(=O)C(F)(F)F)cc2)CC[N@@H+]1CC(C)(C)O ZINC000882232852 663021761 /nfs/dbraw/zinc/02/17/61/663021761.db2.gz BEJAZGNLOJOLMG-XELLLNAOSA-N 1 0 379.448 2.893 20 0 GFADRO CC(C)[NH+]1CCC(CCNS(=O)(=O)N=[S@@](C)(=O)C2CCCCC2)CC1 ZINC000882477773 663028699 /nfs/dbraw/zinc/02/86/99/663028699.db2.gz LNLUPFAFERFZKC-DEOSSOPVSA-N 1 0 393.619 2.762 20 0 GFADRO CC1([NH+]2CCC2)CCN(C(=O)c2cn3c(Br)cnc3s2)CC1 ZINC000882509875 663029543 /nfs/dbraw/zinc/02/95/43/663029543.db2.gz GOUDOOUXHXUULW-UHFFFAOYSA-N 1 0 383.315 2.859 20 0 GFADRO C[C@H]1CN(S(=O)(=O)c2c(Cl)ccnc2Cl)CCN1c1cc[nH+]cc1 ZINC000882620584 663033604 /nfs/dbraw/zinc/03/36/04/663033604.db2.gz OOTSTUYVXPFWIE-NSHDSACASA-N 1 0 387.292 2.683 20 0 GFADRO COC[C@@H]([NH2+]Cc1cc(OC)c(OC)cc1Br)[C@H]1CCCOC1 ZINC000883201977 663051249 /nfs/dbraw/zinc/05/12/49/663051249.db2.gz QTJNYDDVSRYDQV-SWLSCSKDSA-N 1 0 388.302 2.998 20 0 GFADRO COC[C@@H]([NH2+]CCCS(=O)(=O)c1ccc(Cl)cc1)[C@@H]1CCCOC1 ZINC000883224305 663051546 /nfs/dbraw/zinc/05/15/46/663051546.db2.gz JLIRKFIXOIVGBP-RHSMWYFYSA-N 1 0 375.918 2.535 20 0 GFADRO COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]CC[C@H]1CCCS1(=O)=O ZINC000883305603 663053062 /nfs/dbraw/zinc/05/30/62/663053062.db2.gz ARVDFYRUIKAOHH-TZMCWYRMSA-N 1 0 388.917 2.623 20 0 GFADRO COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]CC[C@@H]1CCCS1(=O)=O ZINC000883305602 663053172 /nfs/dbraw/zinc/05/31/72/663053172.db2.gz ARVDFYRUIKAOHH-OCCSQVGLSA-N 1 0 388.917 2.623 20 0 GFADRO C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]CC[C@@H]1CCCS1(=O)=O ZINC000883306489 663053276 /nfs/dbraw/zinc/05/32/76/663053276.db2.gz WZMJHJIJFJVKAA-YOEHRIQHSA-N 1 0 386.945 2.634 20 0 GFADRO C[C@@H]([NH2+][C@H]1CCc2cc(Br)ccc2NC1=O)c1ccc(=O)[nH]n1 ZINC000883377139 663054251 /nfs/dbraw/zinc/05/42/51/663054251.db2.gz ACSJJYLXMTXIDB-OTYXRUKQSA-N 1 0 377.242 2.549 20 0 GFADRO O=C1Nc2ccc(Br)cc2CC[C@H]1NC1CC[NH+](C2CC2)CC1 ZINC000883378071 663054377 /nfs/dbraw/zinc/05/43/77/663054377.db2.gz YPPUYXZMASLNKZ-QGZVFWFLSA-N 1 0 378.314 2.919 20 0 GFADRO C[C@@H](Cc1cnccn1)[NH2+][C@H]1CCc2cc(Br)ccc2NC1=O ZINC000883377565 663054414 /nfs/dbraw/zinc/05/44/14/663054414.db2.gz KWIMBHLWTNTADW-ZBEGNZNMSA-N 1 0 375.270 2.713 20 0 GFADRO Cc1cc(Br)c(Cl)cc1S(=O)(=O)N1CC[C@@H]([NH3+])C[C@H]1C ZINC000883467832 663055569 /nfs/dbraw/zinc/05/55/69/663055569.db2.gz AJTADJNUPGWSSE-NXEZZACHSA-N 1 0 381.723 2.911 20 0 GFADRO COc1ccc2c(c1)CCC(S(=O)(=O)N(CCC[NH3+])CC(F)(F)F)=C2 ZINC000883470697 663055643 /nfs/dbraw/zinc/05/56/43/663055643.db2.gz DSICDYSMPKYZIR-UHFFFAOYSA-N 1 0 378.416 2.525 20 0 GFADRO Cc1csc(-c2ccc(S(=O)(=O)N(CC[NH3+])CC(F)(F)F)cc2)n1 ZINC000883471324 663055679 /nfs/dbraw/zinc/05/56/79/663055679.db2.gz GMKKWRDMGGCGPY-UHFFFAOYSA-N 1 0 379.429 2.630 20 0 GFADRO Cc1cc(S(=O)(=O)N2CCc3sc(C[NH3+])nc3C2)ccc1C(F)(F)F ZINC000883480892 663055923 /nfs/dbraw/zinc/05/59/23/663055923.db2.gz QJINCRWEFHUCNU-UHFFFAOYSA-N 1 0 391.440 2.676 20 0 GFADRO CCC1([NH3+])CCN(S(=O)(=O)Cc2cc(C)ccc2Br)CC1 ZINC000883483119 663056078 /nfs/dbraw/zinc/05/60/78/663056078.db2.gz UNRVRZSNDPGRFJ-UHFFFAOYSA-N 1 0 375.332 2.791 20 0 GFADRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)N[C@H](CO)c2ccc(Br)cc2)C1 ZINC000883496190 663056250 /nfs/dbraw/zinc/05/62/50/663056250.db2.gz PIEATYNCTCMNSQ-OWCLPIDISA-N 1 0 384.318 2.655 20 0 GFADRO Cc1cc(Cl)c(NC(=O)C(=O)N2CCc3sc(C[NH3+])nc3C2)cc1Cl ZINC000883622960 663058260 /nfs/dbraw/zinc/05/82/60/663058260.db2.gz FPYVRMUYBSCTDA-UHFFFAOYSA-N 1 0 399.303 2.740 20 0 GFADRO C[C@H]([NH3+])c1ccc(NC(=O)C(=O)NCCc2sccc2Br)cc1 ZINC000883629802 663058519 /nfs/dbraw/zinc/05/85/19/663058519.db2.gz FONVQTYYABOQTE-JTQLQIEISA-N 1 0 396.310 2.828 20 0 GFADRO CC(C)N(C)C(=O)C1CCN(C(=O)[C@@H]([NH3+])c2ccc(Br)cc2)CC1 ZINC000884091917 663064989 /nfs/dbraw/zinc/06/49/89/663064989.db2.gz NYAZNDUWWDXVFK-INIZCTEOSA-N 1 0 396.329 2.554 20 0 GFADRO CC(C)(C)c1nnc(CNC(=O)[C@H]([NH3+])c2ccc(Br)cc2)s1 ZINC000884171913 663066337 /nfs/dbraw/zinc/06/63/37/663066337.db2.gz HICRWKOVRWTTIZ-GFCCVEGCSA-N 1 0 383.315 2.914 20 0 GFADRO C[C@H](NC(=O)[C@H]1C[NH2+]CC1(C)C)c1nc(-c2ccc(Br)cc2)no1 ZINC000884173717 663066418 /nfs/dbraw/zinc/06/64/18/663066418.db2.gz CJQFWOJPQFGNJF-GXFFZTMASA-N 1 0 393.285 2.922 20 0 GFADRO C[C@@H](NC(=O)[C@H]1C[NH2+]CC1(C)C)c1nc(-c2ccc(Br)cc2)no1 ZINC000884173719 663066439 /nfs/dbraw/zinc/06/64/39/663066439.db2.gz CJQFWOJPQFGNJF-ZWNOBZJWSA-N 1 0 393.285 2.922 20 0 GFADRO CO[C@@H](C)c1nc(CNC(=O)[C@H]([NH3+])c2ccc(Br)cc2)cs1 ZINC000884232508 663067440 /nfs/dbraw/zinc/06/74/40/663067440.db2.gz UDAPAIJACITAMY-TVQRCGJNSA-N 1 0 384.299 2.929 20 0 GFADRO C[C@H](C[NH3+])CNC(=O)CCc1cc(Br)c(Br)s1 ZINC000884237653 663067447 /nfs/dbraw/zinc/06/74/47/663067447.db2.gz IPXNOIFREXTBIO-SSDOTTSWSA-N 1 0 384.137 2.917 20 0 GFADRO Cn1nc(C(=O)N(CCC[NH+](C)C)Cc2ccc(Cl)c(Cl)c2)cc1N ZINC000884308275 663068612 /nfs/dbraw/zinc/06/86/12/663068612.db2.gz JXQJRXDQJTYTDJ-UHFFFAOYSA-N 1 0 384.311 2.903 20 0 GFADRO [NH3+]CCC[C@@H](NC(=O)c1nn2c(c1Br)CCC2)c1ccccc1 ZINC000884337243 663069278 /nfs/dbraw/zinc/06/92/78/663069278.db2.gz HDZPJYYJBLLEIF-CYBMUJFWSA-N 1 0 377.286 2.802 20 0 GFADRO [NH3+][C@@H](C(=O)N1CCC([C@H](O)C(F)(F)F)CC1)c1ccc(Br)cc1 ZINC000884378566 663069717 /nfs/dbraw/zinc/06/97/17/663069717.db2.gz WOXNPDORCZZBLC-OLZOCXBDSA-N 1 0 395.219 2.611 20 0 GFADRO O=C(Nc1ccc([C@@H]2C[NH2+]CCO2)cc1)c1nn2c(c1Br)CCC2 ZINC000884408520 663070306 /nfs/dbraw/zinc/07/03/06/663070306.db2.gz KJADFLJIKHLHJT-AWEZNQCLSA-N 1 0 391.269 2.505 20 0 GFADRO O=S(=O)(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cc2ccc(Cl)nc2cc1F ZINC000884952480 663079354 /nfs/dbraw/zinc/07/93/54/663079354.db2.gz OBVRWHYWCIRNBV-QWHCGFSZSA-N 1 0 383.876 2.932 20 0 GFADRO C[C@H]1C[C@@H](C(=O)N2CCC[C@@](O)(c3ccc(Br)cc3)C2)CC[N@@H+]1C ZINC000884969336 663081109 /nfs/dbraw/zinc/08/11/09/663081109.db2.gz XCEILTHRHWEOQN-DOXZYTNZSA-N 1 0 395.341 2.989 20 0 GFADRO O=S(=O)(c1ccns1)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000885078136 663084304 /nfs/dbraw/zinc/08/43/04/663084304.db2.gz FDJRCEZGYZLAJR-UHFFFAOYSA-N 1 0 377.535 2.820 20 0 GFADRO CC(C)([NH3+])CCNC(=O)C(=O)N1CCc2sccc2[C@@H]1c1cccs1 ZINC000885204448 663086125 /nfs/dbraw/zinc/08/61/25/663086125.db2.gz MPGOYFYBYYNFRM-OAHLLOKOSA-N 1 0 377.535 2.527 20 0 GFADRO O=C(CCc1cccc(Br)c1)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000885857381 663099224 /nfs/dbraw/zinc/09/92/24/663099224.db2.gz CDHIBOSUZUHKGD-KRWDZBQOSA-N 1 0 381.314 2.751 20 0 GFADRO O=C(CCc1ccc(Br)cc1)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000885873568 663099756 /nfs/dbraw/zinc/09/97/56/663099756.db2.gz UVTDKGFOKLNOEL-KRWDZBQOSA-N 1 0 381.314 2.751 20 0 GFADRO O=C(CCc1cc(Br)ccc1F)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000885874994 663099850 /nfs/dbraw/zinc/09/98/50/663099850.db2.gz CPMUBFWNNLKSHO-MRXNPFEDSA-N 1 0 399.304 2.890 20 0 GFADRO O=C(Cc1ccc(Br)c(F)c1)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000885876654 663100049 /nfs/dbraw/zinc/10/00/49/663100049.db2.gz VINTXFFQVAGRRZ-AWEZNQCLSA-N 1 0 385.277 2.500 20 0 GFADRO O=C(CSc1cccc(Br)c1)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000885876274 663100076 /nfs/dbraw/zinc/10/00/76/663100076.db2.gz PCLGFZZYTBCWFW-HNNXBMFYSA-N 1 0 399.354 2.911 20 0 GFADRO C[C@H](C(=O)NC[C@@H]1CC[N@@H+]1C1CCOCC1)c1cccc(Br)c1 ZINC000885886209 663100532 /nfs/dbraw/zinc/10/05/32/663100532.db2.gz SXQPHIFLFMSZSP-GUYCJALGSA-N 1 0 381.314 2.922 20 0 GFADRO Cc1ccc(F)c(Br)c1C(=O)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000885895592 663100926 /nfs/dbraw/zinc/10/09/26/663100926.db2.gz IBPBUUGQVJZVRI-ZDUSSCGKSA-N 1 0 385.277 2.880 20 0 GFADRO Cn1cc([C@H](O)C[NH2+]Cc2cc(Br)c(Br)s2)cn1 ZINC000885999135 663102412 /nfs/dbraw/zinc/10/24/12/663102412.db2.gz FKOSJJXIKDIQCA-SNVBAGLBSA-N 1 0 395.120 2.830 20 0 GFADRO O=C(Nc1ccc(Br)cn1)C1CC[NH+](C[C@H]2C[C@@]23CCOC3)CC1 ZINC000886051739 663102854 /nfs/dbraw/zinc/10/28/54/663102854.db2.gz CFSPWQSNRLHUNX-RDTXWAMCSA-N 1 0 394.313 2.921 20 0 GFADRO OC[C@@H](C[NH2+][C@H]1CCOC2(CCOCC2)C1)Cc1ccccc1Br ZINC000886092030 663103085 /nfs/dbraw/zinc/10/30/85/663103085.db2.gz MIKDCWAFRBVIGJ-WBVHZDCISA-N 1 0 398.341 2.918 20 0 GFADRO CCOc1c(Br)cc(C[NH2+][C@@H](CO)C[C@@H]2CCCO2)cc1OC ZINC000886231557 663105470 /nfs/dbraw/zinc/10/54/70/663105470.db2.gz GQSCTHMBHOSAOQ-KGLIPLIRSA-N 1 0 388.302 2.876 20 0 GFADRO COc1nsc(C[NH2+]C[C@@H]2CC[C@]3(CO[C@@H](C)[C@@H]3C)O2)c1Br ZINC000886335990 663108586 /nfs/dbraw/zinc/10/85/86/663108586.db2.gz LAGDXJKVORHDPO-USXUVBGUSA-N 1 0 391.331 2.976 20 0 GFADRO CCN(CC)S(=O)(=O)c1ccc(CC[NH2+][C@@H]2CCc3cccnc32)s1 ZINC000886522246 663113282 /nfs/dbraw/zinc/11/32/82/663113282.db2.gz FTHNMPZBRQWYEQ-MRXNPFEDSA-N 1 0 379.551 2.993 20 0 GFADRO OC[C@]1(C(F)(F)F)CC[N@H+](C[C@H](O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000886793200 663118677 /nfs/dbraw/zinc/11/86/77/663118677.db2.gz DFIRCDIFNQYRNC-HZMBPMFUSA-N 1 0 388.213 2.980 20 0 GFADRO COc1ccc(Cl)cc1NC(=O)CC[N@@H+]1CC[C@@](CO)(C(F)(F)F)C1 ZINC000886795628 663118845 /nfs/dbraw/zinc/11/88/45/663118845.db2.gz YCORPLSKRQZHRD-OAHLLOKOSA-N 1 0 380.794 2.924 20 0 GFADRO OC[C@@]1(C(F)(F)F)CC[N@H+](C[C@@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000886793829 663118855 /nfs/dbraw/zinc/11/88/55/663118855.db2.gz UXDDEOHPMUDMKO-BXUZGUMPSA-N 1 0 388.213 2.980 20 0 GFADRO O=S(=O)(/C=C\c1ccc(Br)cc1)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000886896280 663123956 /nfs/dbraw/zinc/12/39/56/663123956.db2.gz DQNMNKFWPXRZHQ-JECSTDCCSA-N 1 0 395.269 2.584 20 0 GFADRO COC[C@H]([NH2+]C[C@@](C)(O)c1ccc(Br)cc1F)[C@@H]1CCCOC1 ZINC000886915630 663124906 /nfs/dbraw/zinc/12/49/06/663124906.db2.gz HGNUPTPKTRNYDS-OAUYIBNBSA-N 1 0 390.293 2.827 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)Nc2cc(Br)c3ccccc3c2)C1 ZINC000886984088 663127338 /nfs/dbraw/zinc/12/73/38/663127338.db2.gz QOGNVJRCWVMBCX-AAEUAGOBSA-N 1 0 390.281 2.737 20 0 GFADRO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)Nc1cc(Br)c2ccccc2c1 ZINC000886983894 663127376 /nfs/dbraw/zinc/12/73/76/663127376.db2.gz KWVOFTYNXVHBLP-QWRGUYRKSA-N 1 0 378.270 2.783 20 0 GFADRO O=C1C[C@H]([N@@H+]2CC[C@H]([C@H]3CCCO3)C2)C(=O)N1c1ccc(Br)cc1 ZINC000887306724 663141367 /nfs/dbraw/zinc/14/13/67/663141367.db2.gz ZWUDMYKKJABKOZ-VBNZEHGJSA-N 1 0 393.281 2.582 20 0 GFADRO [NH3+][C@@H]1CCCN(Cc2cn(Cc3ccc(Cl)cc3Br)nn2)C1 ZINC000887442827 663146698 /nfs/dbraw/zinc/14/66/98/663146698.db2.gz UFVGEQLDWNFJLD-CYBMUJFWSA-N 1 0 384.709 2.665 20 0 GFADRO COC[C@H]([NH3+])Cc1cn(Cc2cc(Br)c3ccccc3c2)nn1 ZINC000887463063 663147411 /nfs/dbraw/zinc/14/74/11/663147411.db2.gz NYIMLWHSFZYHTM-CQSZACIVSA-N 1 0 375.270 2.758 20 0 GFADRO C[N@@H+]1C[C@@H]2CN(C(=O)Cc3noc4ccc(Br)cc43)C[C@]2(C)C1 ZINC000887924614 663170261 /nfs/dbraw/zinc/17/02/61/663170261.db2.gz SGWHECMNVGILDG-DIFFPNOSSA-N 1 0 378.270 2.543 20 0 GFADRO COc1cc(Br)ccc1CCC(=O)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000887929300 663170750 /nfs/dbraw/zinc/17/07/50/663170750.db2.gz RCSKOCVOEPOFTE-KBXCAEBGSA-N 1 0 381.314 2.800 20 0 GFADRO C[C@@H](CNC(=O)Nc1cc(N2CCOCC2)ccc1Br)C[NH+](C)C ZINC000888306699 663188534 /nfs/dbraw/zinc/18/85/34/663188534.db2.gz HJKMUGMXYDHTCK-ZDUSSCGKSA-N 1 0 399.333 2.605 20 0 GFADRO C[NH+](C)CCC[C@H]1CN(C(=O)Nc2nc3ccc(Cl)nc3s2)CCO1 ZINC000888795891 663217243 /nfs/dbraw/zinc/21/72/43/663217243.db2.gz XAXOHRGUTAAVOP-NSHDSACASA-N 1 0 383.905 2.919 20 0 GFADRO CN1CCN(C(=O)CCc2nc3cc(Cl)ccc3s2)CC[N@H+](C)CC1 ZINC000888992440 663228928 /nfs/dbraw/zinc/22/89/28/663228928.db2.gz LKKBLSFGUSSECJ-UHFFFAOYSA-N 1 0 380.945 2.588 20 0 GFADRO O=C(CCCc1ccc(Br)cc1)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000889741075 663261988 /nfs/dbraw/zinc/26/19/88/663261988.db2.gz ATFDUSKOWOPQTM-MSOLQXFVSA-N 1 0 395.341 2.829 20 0 GFADRO Cc1ccc(F)c(Br)c1C(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000889743291 663262470 /nfs/dbraw/zinc/26/24/70/663262470.db2.gz NCBIPZJTQDXLCZ-ZIAGYGMSSA-N 1 0 385.277 2.568 20 0 GFADRO O=C(N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO)C1(c2cccc(Br)c2)CC1 ZINC000889773566 663265718 /nfs/dbraw/zinc/26/57/18/663265718.db2.gz BYEUDGZVYSXKMX-IAGOWNOFSA-N 1 0 393.325 2.538 20 0 GFADRO Cc1nc(-c2cccs2)sc1C(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000889782756 663266370 /nfs/dbraw/zinc/26/63/70/663266370.db2.gz SQSNDMULMRGZAJ-UONOGXRCSA-N 1 0 377.535 2.851 20 0 GFADRO O=C(c1cn2ccc(Br)cc2n1)N1CCC([NH2+]C2CCC2)CC1 ZINC000889824881 663270531 /nfs/dbraw/zinc/27/05/31/663270531.db2.gz UVFRMOSSLPIKQT-UHFFFAOYSA-N 1 0 377.286 2.844 20 0 GFADRO O=C(COCCc1ccc(Br)cc1)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000890050100 663282505 /nfs/dbraw/zinc/28/25/05/663282505.db2.gz QTZLCUXZXHBPLF-IAGOWNOFSA-N 1 0 381.314 2.751 20 0 GFADRO Cn1cc(C(=O)NC[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)c(Br)n1 ZINC000890055975 663282809 /nfs/dbraw/zinc/28/28/09/663282809.db2.gz LKYPIVKWGLWCNB-GOSISDBHSA-N 1 0 391.313 2.967 20 0 GFADRO CC(C)[C@@H](C(=O)N1CCn2c(c(Br)nc2C(F)(F)F)C1)[NH+](C)C ZINC000890202961 663290039 /nfs/dbraw/zinc/29/00/39/663290039.db2.gz WVFXRDKOICLBAE-JTQLQIEISA-N 1 0 397.239 2.593 20 0 GFADRO Cc1csc([C@@](O)(CC(=O)N(C)CC(C)(C)C[NH+](C)C)C(F)(F)F)n1 ZINC000890883844 663315870 /nfs/dbraw/zinc/31/58/70/663315870.db2.gz QALPQTVBNZWREU-HNNXBMFYSA-N 1 0 381.464 2.638 20 0 GFADRO CCn1c(Br)c(Br)nc1CN1CC[NH+](CC)CC1 ZINC000891444953 663339817 /nfs/dbraw/zinc/33/98/17/663339817.db2.gz SPRKCSTZKVIYQT-UHFFFAOYSA-N 1 0 380.128 2.566 20 0 GFADRO COc1cc(Br)c(CNC(=O)N2CCC[C@H]3[NH2+]CC[C@H]32)cc1OC ZINC000891494051 663341324 /nfs/dbraw/zinc/34/13/24/663341324.db2.gz FWOZLBIWHFNJEP-ZIAGYGMSSA-N 1 0 398.301 2.502 20 0 GFADRO CC(=O)Nc1cc(Br)ccc1CN1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000891494251 663341380 /nfs/dbraw/zinc/34/13/80/663341380.db2.gz BKWFFGNCIKZXKE-QGZVFWFLSA-N 1 0 396.329 2.704 20 0 GFADRO CO[C@H](CNC(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1)c1ccccc1Cl ZINC000891686191 663347147 /nfs/dbraw/zinc/34/71/47/663347147.db2.gz DNBAUWRXNIHWSQ-MPKXVKKWSA-N 1 0 379.810 2.806 20 0 GFADRO C[C@@](CO)(NC(=O)NC1CC[NH+](C2CC2)CC1)c1cccc(Br)c1 ZINC000891710050 663348318 /nfs/dbraw/zinc/34/83/18/663348318.db2.gz FSDRJUIFNUUGFM-SFHVURJKSA-N 1 0 396.329 2.583 20 0 GFADRO Cc1cccc(CNC(=O)NC[C@H]2C[NH2+]CCC2(F)F)c1Br ZINC000891839016 663352586 /nfs/dbraw/zinc/35/25/86/663352586.db2.gz ICSKKEMIGNPMGZ-GFCCVEGCSA-N 1 0 376.245 2.802 20 0 GFADRO O=C(N[C@@H]1CCOc2c(Br)cccc21)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000891882713 663354227 /nfs/dbraw/zinc/35/42/27/663354227.db2.gz UQNWJRWUGQWCPD-QLFBSQMISA-N 1 0 380.286 2.809 20 0 GFADRO COc1cc(CCNC(=O)N2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)ccc1Cl ZINC000891921795 663355506 /nfs/dbraw/zinc/35/55/06/663355506.db2.gz VVTZNCOYBDFZRZ-RYUDHWBXSA-N 1 0 379.810 2.670 20 0 GFADRO O=C(N[C@H]1CCC[NH2+]C1)N1CC2(CCOCC2)c2ccc(Br)cc21 ZINC000892012662 663358816 /nfs/dbraw/zinc/35/88/16/663358816.db2.gz AWYYXQVLNWRSPU-AWEZNQCLSA-N 1 0 394.313 2.779 20 0 GFADRO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)NCc2ncc(Cl)s2)cc1 ZINC000892257527 663367499 /nfs/dbraw/zinc/36/74/99/663367499.db2.gz NYYKPLJYTPTEBO-KBPBESRZSA-N 1 0 380.901 2.750 20 0 GFADRO Cn1cc(C(=O)N[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)c(Br)n1 ZINC000892416437 663372783 /nfs/dbraw/zinc/37/27/83/663372783.db2.gz RDNPFKLCCVNFTL-KRWDZBQOSA-N 1 0 377.286 2.577 20 0 GFADRO CC[C@@H]1CN(C(=O)N[C@@H]2[C@H]3Cc4cc(Br)ccc4[C@@H]23)CC[C@@H]1[NH3+] ZINC000892426877 663373388 /nfs/dbraw/zinc/37/33/88/663373388.db2.gz KJHCTNWWJFNNPW-GFVQHMJJSA-N 1 0 378.314 2.856 20 0 GFADRO C[C@@H]([NH3+])C1CCN(C(=O)N[C@@H]2[C@H]3Cc4cc(Br)ccc4[C@@H]23)CC1 ZINC000892428343 663373487 /nfs/dbraw/zinc/37/34/87/663373487.db2.gz XXKDIYBMOVJSAX-ITDAGMBRSA-N 1 0 378.314 2.856 20 0 GFADRO [NH3+][C@H]1C[C@@H](CNC(=O)N2CC3(CCOCC3)c3ccc(Br)cc32)C1 ZINC000892546339 663376897 /nfs/dbraw/zinc/37/68/97/663376897.db2.gz CYVHXVGYCMZGDT-XBXGTLAGSA-N 1 0 394.313 2.764 20 0 GFADRO [NH3+][C@H]1C[C@H](CNC(=O)N2CCc3[nH]c4c(cccc4Br)c3C2)C1 ZINC000892577940 663377638 /nfs/dbraw/zinc/37/76/38/663377638.db2.gz DHUUHXMGJWNBNZ-XYPYZODXSA-N 1 0 377.286 2.735 20 0 GFADRO O=C(NCc1ccc(Br)cn1)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1 ZINC000892615303 663378697 /nfs/dbraw/zinc/37/86/97/663378697.db2.gz BWQHLSDCOWHWCF-XJKSGUPXSA-N 1 0 381.318 2.908 20 0 GFADRO CCOC(=O)c1ncc(Br)c(N(C)[C@H]2CC[N@H+](CC)[C@@H](C)C2)n1 ZINC000892642059 663379528 /nfs/dbraw/zinc/37/95/28/663379528.db2.gz KRBIQIJVVJKLRB-RYUDHWBXSA-N 1 0 385.306 2.725 20 0 GFADRO Cc1nc2c(s1)[C@@H](N(C)C(=O)N1CCc3sc(C[NH3+])nc3C1)CCC2 ZINC000892882336 663388059 /nfs/dbraw/zinc/38/80/59/663388059.db2.gz IFJFUBRLQUDXGV-ZDUSSCGKSA-N 1 0 377.539 2.854 20 0 GFADRO C[NH+]1CCC(OCC(=O)Nc2nnc(SCc3cccs3)s2)CC1 ZINC000892977627 663391752 /nfs/dbraw/zinc/39/17/52/663391752.db2.gz QSHLLXIADSOETQ-UHFFFAOYSA-N 1 0 384.552 2.941 20 0 GFADRO O=C(NCc1ncc(Br)cn1)NC1CCC([NH+]2CCCCC2)CC1 ZINC000893493405 663412902 /nfs/dbraw/zinc/41/29/02/663412902.db2.gz YLWSBNPKNFSJOR-UHFFFAOYSA-N 1 0 396.333 2.835 20 0 GFADRO CN(Cc1nc(Br)nn1C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000893961626 663433687 /nfs/dbraw/zinc/43/36/87/663433687.db2.gz HJYISNPHNNYOIW-HNNXBMFYSA-N 1 0 378.318 2.674 20 0 GFADRO Clc1nc(N2CCOCC2)sc1CN1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000894055577 663439766 /nfs/dbraw/zinc/43/97/66/663439766.db2.gz ZQEAJDLGIGDJJO-OAHLLOKOSA-N 1 0 384.977 2.941 20 0 GFADRO O=C1CCCCCN1CCC[NH2+]Cc1sc(N2CCOCC2)nc1Cl ZINC000894148489 663445308 /nfs/dbraw/zinc/44/53/08/663445308.db2.gz YCZMXANOROPCKE-UHFFFAOYSA-N 1 0 386.949 2.515 20 0 GFADRO COc1ccc(CC[NH2+]Cc2cn(C)nc2I)cc1F ZINC000894226822 663449646 /nfs/dbraw/zinc/44/96/46/663449646.db2.gz SXYADGWZLFEBJO-UHFFFAOYSA-N 1 0 389.212 2.505 20 0 GFADRO C[C@@H](c1ccccc1)[NH+]1CCC(NCc2nc(Br)nn2C)CC1 ZINC000894261324 663451315 /nfs/dbraw/zinc/45/13/15/663451315.db2.gz RHSRVOYRYFOSAT-ZDUSSCGKSA-N 1 0 378.318 2.893 20 0 GFADRO C[C@H]([NH2+]Cc1sc(N2CCOCC2)nc1Cl)[C@H](O)c1ccc(F)cc1 ZINC000894259591 663451447 /nfs/dbraw/zinc/45/14/47/663451447.db2.gz XVBPYVNFFJJMNT-NHYWBVRUSA-N 1 0 385.892 2.984 20 0 GFADRO Cn1cc(C[NH2+][C@@H]2CCCN(c3ccccc3)C2)c(I)n1 ZINC000894268101 663451995 /nfs/dbraw/zinc/45/19/95/663451995.db2.gz GCKZGHGGMVPWHN-CQSZACIVSA-N 1 0 396.276 2.783 20 0 GFADRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCc1nc(Br)nn1C ZINC000894317112 663454016 /nfs/dbraw/zinc/45/40/16/663454016.db2.gz QKWGTOVXWMKHNG-DZGCQCFKSA-N 1 0 378.318 2.578 20 0 GFADRO CCOCCC1(C[NH2+]Cc2cn(C)nc2I)CCC1 ZINC000894351537 663456559 /nfs/dbraw/zinc/45/65/59/663456559.db2.gz GLBCRLZERYHOSJ-UHFFFAOYSA-N 1 0 377.270 2.711 20 0 GFADRO CC(C)C[C@@H]1OCCC[C@@H]1[NH2+]Cc1cn(C)nc1I ZINC000894491999 663465033 /nfs/dbraw/zinc/46/50/33/663465033.db2.gz XLYJBWOUVFVPPY-STQMWFEESA-N 1 0 377.270 2.708 20 0 GFADRO Cc1ccc(C[C@@H](CO)[NH2+]Cc2sc(N3CCOCC3)nc2Cl)cc1 ZINC000894531589 663467292 /nfs/dbraw/zinc/46/72/92/663467292.db2.gz AHOSAFBBXJPQRN-HNNXBMFYSA-N 1 0 381.929 2.635 20 0 GFADRO Cn1nc2c(c1C[NH2+]CCC(=O)Nc1cc(Cl)cc(Cl)c1)COCC2 ZINC000894638117 663473829 /nfs/dbraw/zinc/47/38/29/663473829.db2.gz DGTVVKTVLASSOD-UHFFFAOYSA-N 1 0 383.279 2.918 20 0 GFADRO O=C(NCCCCc1ccc(Cl)s1)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000894682116 663475811 /nfs/dbraw/zinc/47/58/11/663475811.db2.gz UUTFVDNRGLWDET-HZPDHXFCSA-N 1 0 385.961 2.965 20 0 GFADRO C[N@@H+]1C[C@@H]2CCN(C(=O)N[C@@H](c3cncc(Br)c3)C3CC3)[C@@H]2C1 ZINC000894691156 663476543 /nfs/dbraw/zinc/47/65/43/663476543.db2.gz XLJSIJNNKNQWIV-APHBMKBZSA-N 1 0 379.302 2.641 20 0 GFADRO COc1ccc(CC[NH2+]Cc2nc(Br)nn2C)c(Cl)c1OC ZINC000894857383 663485375 /nfs/dbraw/zinc/48/53/75/663485375.db2.gz ITCZXMPBVMJTKJ-UHFFFAOYSA-N 1 0 389.681 2.581 20 0 GFADRO O=S1CCC([NH2+]Cc2cc(Cl)cc(I)c2)CC1 ZINC000895006105 663494549 /nfs/dbraw/zinc/49/45/49/663494549.db2.gz LHCXBVGDJDSNJP-UHFFFAOYSA-N 1 0 383.682 2.945 20 0 GFADRO CNC(=O)[C@H](C[NH2+]C[C@H]1C[C@@]1(C)Br)Cc1ccc(OC)c(F)c1 ZINC000895084552 663498628 /nfs/dbraw/zinc/49/86/28/663498628.db2.gz YVMCIIXAGFCRGR-OGHNNQOOSA-N 1 0 387.293 2.502 20 0 GFADRO COc1cc(C[NH2+]C[C@@H]2CC(C)=NO2)cc(I)c1OC ZINC000895311786 663507652 /nfs/dbraw/zinc/50/76/52/663507652.db2.gz RIVVBENNIBWONZ-NSHDSACASA-N 1 0 390.221 2.563 20 0 GFADRO C[C@@]1(CO)C[C@@H](O)C[N@@H+]1Cc1cnc(-c2ccc(Br)cc2)s1 ZINC000895332802 663508417 /nfs/dbraw/zinc/50/84/17/663508417.db2.gz YZWNKIQZDPQEOY-CJNGLKHVSA-N 1 0 383.311 2.890 20 0 GFADRO CCOC(=O)[C@@]1(C)CCC[C@H]1[NH2+]Cc1sc(N2CCOCC2)nc1Cl ZINC000895339932 663508833 /nfs/dbraw/zinc/50/88/33/663508833.db2.gz DAYOJHSZZQCNKZ-DYVFJYSZSA-N 1 0 387.933 2.845 20 0 GFADRO CC(C)(C)OC(=O)N1C[C@H]2C[C@@]2(C[NH2+]Cc2cnc(Br)cn2)C1 ZINC000895406954 663512243 /nfs/dbraw/zinc/51/22/43/663512243.db2.gz IMOGDKJPFUJOIB-BDJLRTHQSA-N 1 0 383.290 2.586 20 0 GFADRO Cc1nc(-c2ccc(CCNC(=O)C3C[NH+]([C@@H]4CCOC4)C3)s2)cs1 ZINC000895497323 663517250 /nfs/dbraw/zinc/51/72/50/663517250.db2.gz HNVULNMZWFHPMN-CQSZACIVSA-N 1 0 377.535 2.559 20 0 GFADRO COCCOCC[N@H+](CCO)Cc1cc2c(cc(F)cc2Br)[nH]1 ZINC000895573009 663519464 /nfs/dbraw/zinc/51/94/64/663519464.db2.gz XWVUWXZSHIFGBY-UHFFFAOYSA-N 1 0 389.265 2.527 20 0 GFADRO OC[C@@]1([NH2+]Cc2nccn2C2CC2)CCc2cc(Br)ccc2C1 ZINC000895581412 663519632 /nfs/dbraw/zinc/51/96/32/663519632.db2.gz NUZDHVNBMMMEAV-GOSISDBHSA-N 1 0 376.298 2.990 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)c1nn2c(c1Br)CCC2)c1ccsc1 ZINC000895646772 663522230 /nfs/dbraw/zinc/52/22/30/663522230.db2.gz KJIUSZSGJOAPIW-LBPRGKRZSA-N 1 0 383.315 2.686 20 0 GFADRO CCO/C=C/[C@](O)(C[NH2+]C1CCN(CCC(F)(F)F)CC1)C(F)(F)F ZINC000895710866 663524641 /nfs/dbraw/zinc/52/46/41/663524641.db2.gz OBPDLPLHIIXDRZ-PPOCWRSBSA-N 1 0 378.357 2.836 20 0 GFADRO O[C@@H]1C[N@H+](Cc2ccccc2I)CC2(CCOCC2)C1 ZINC000895721768 663525614 /nfs/dbraw/zinc/52/56/14/663525614.db2.gz IZQCBKJAMIHTRH-AWEZNQCLSA-N 1 0 387.261 2.655 20 0 GFADRO OC[C@H](CCc1ccccc1)[NH2+]Cc1sc(N2CCOCC2)nc1Cl ZINC000896518586 663560041 /nfs/dbraw/zinc/56/00/41/663560041.db2.gz PLXSWLMDFYSUIZ-HNNXBMFYSA-N 1 0 381.929 2.716 20 0 GFADRO Cc1cc2cc(C(=O)N[C@H](C)[C@@H]3C[N@H+](C)CCN3C)oc2c(Br)c1 ZINC000896551074 663563172 /nfs/dbraw/zinc/56/31/72/663563172.db2.gz WHTJTDJRGZXNBP-DOMZBBRYSA-N 1 0 394.313 2.868 20 0 GFADRO C[C@@H](NC(=O)CCCc1ccccc1Br)[C@H]1C[N@H+](C)CCN1C ZINC000896553931 663563756 /nfs/dbraw/zinc/56/37/56/663563756.db2.gz DDBAVNJMAUFCPD-RHSMWYFYSA-N 1 0 382.346 2.522 20 0 GFADRO CC[NH+](CC)CCCNC(=O)C1CCN(C(=O)/C=C\C=C(Cl)Cl)CC1 ZINC000896626344 663568749 /nfs/dbraw/zinc/56/87/49/663568749.db2.gz QWXBPEMDZKRXBI-YVMONPNESA-N 1 0 390.355 2.948 20 0 GFADRO O=C(c1nn2c(c1Br)CCC2)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000897104552 663592017 /nfs/dbraw/zinc/59/20/17/663592017.db2.gz FVXJHPGASAERQN-JSGCOSHPSA-N 1 0 393.329 2.681 20 0 GFADRO O=C(N[C@H]1C[C@H](c2ccc(Br)cc2)C1)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000897808899 663621006 /nfs/dbraw/zinc/62/10/06/663621006.db2.gz QDRXIQHJYWPAQS-KBRIMQKVSA-N 1 0 379.298 2.532 20 0 GFADRO COc1ccc([C@H]([NH2+]C(C)C)C(=O)NCc2nn(C)cc2Br)cc1 ZINC000897898626 663624672 /nfs/dbraw/zinc/62/46/72/663624672.db2.gz OLHUXQUDRQOQAJ-INIZCTEOSA-N 1 0 395.301 2.547 20 0 GFADRO O=C(N[C@H]1CCc2c1ccc(F)c2Br)C1C[NH+](C2CCOCC2)C1 ZINC000897909312 663625434 /nfs/dbraw/zinc/62/54/34/663625434.db2.gz MUDGODUDPJMCTA-INIZCTEOSA-N 1 0 397.288 2.803 20 0 GFADRO C[C@H](CCc1cccnc1)[NH2+][C@@H]1Cc2cc(Br)cnc2NC1=O ZINC000897978514 663628423 /nfs/dbraw/zinc/62/84/23/663628423.db2.gz QUCHAEQKLBTLEA-IAQYHMDHSA-N 1 0 375.270 2.713 20 0 GFADRO CC(C)(C)[C@@H]1C[C@@H]([NH2+][C@H]2Cc3cc(Br)cnc3NC2=O)CCO1 ZINC000897979277 663628931 /nfs/dbraw/zinc/62/89/31/663628931.db2.gz ZCZNUZCFAWDSQT-IHRRRGAJSA-N 1 0 382.302 2.891 20 0 GFADRO COc1cc(C[NH2+]C2CC(CCO)C2)cc(I)c1OC ZINC000898008387 663630001 /nfs/dbraw/zinc/63/00/01/663630001.db2.gz ORVHCZZWOBDBBS-UHFFFAOYSA-N 1 0 391.249 2.559 20 0 GFADRO Fc1cccc(C[NH2+][C@H]2CCOC23CCOCC3)c1I ZINC000898113092 663634132 /nfs/dbraw/zinc/63/41/32/663634132.db2.gz UCXMRRZOSFSAID-ZDUSSCGKSA-N 1 0 391.224 2.858 20 0 GFADRO CCOc1c(Br)cc(C[NH2+]Cc2cnc3n2CCOC3)cc1OC ZINC000898271513 663641521 /nfs/dbraw/zinc/64/15/21/663641521.db2.gz BOUZNKQAXCIKCH-UHFFFAOYSA-N 1 0 396.285 2.873 20 0 GFADRO CCO[P@](C)(=O)CC[C@H](C)[NH2+]Cc1cccc(N(C)S(C)(=O)=O)c1 ZINC000898282606 663641800 /nfs/dbraw/zinc/64/18/00/663641800.db2.gz HWABEOMBURQDRS-PSLXWICFSA-N 1 0 376.459 2.895 20 0 GFADRO CC(C)c1nc([C@H](CO)NC(=O)C2CC[NH+]([C@H]3CCSC3)CC2)cs1 ZINC000898378173 663645636 /nfs/dbraw/zinc/64/56/36/663645636.db2.gz USZPXYJOBVCMIM-GJZGRUSLSA-N 1 0 383.583 2.634 20 0 GFADRO COC(=O)C1CC2(C1)C[C@H]([NH2+]Cc1ccc(C)c(Cl)c1)CCS2(=O)=O ZINC000898489977 663652585 /nfs/dbraw/zinc/65/25/85/663652585.db2.gz ZZYFDONATNRKMJ-SWKXRBFHSA-N 1 0 385.913 2.637 20 0 GFADRO C[C@H]1CC2(CC([NH2+][C@H](CO)c3ccccc3I)C2)CO1 ZINC000898511550 663653559 /nfs/dbraw/zinc/65/35/59/663653559.db2.gz DUAKZSVWWMRBII-RRFBRVDKSA-N 1 0 387.261 2.872 20 0 GFADRO OC[C@@H](NC1CC[NH+](C2CC2)CC1)c1ccccc1I ZINC000898513270 663654234 /nfs/dbraw/zinc/65/42/34/663654234.db2.gz SETHEYXBTSTZPN-MRXNPFEDSA-N 1 0 386.277 2.541 20 0 GFADRO Cc1c(Br)cncc1C(=O)NC1CC[NH+](C2CCOCC2)CC1 ZINC000898636599 663658705 /nfs/dbraw/zinc/65/87/05/663658705.db2.gz HSZUALDPFSLPHM-UHFFFAOYSA-N 1 0 382.302 2.526 20 0 GFADRO CC(C)(C)OC(=O)NCC1(C[NH2+][C@@H]2CCc3ncc(Br)n3C2)CC1 ZINC000898719654 663660276 /nfs/dbraw/zinc/66/02/76/663660276.db2.gz HJTXTCQDCOVTDW-GFCCVEGCSA-N 1 0 399.333 2.855 20 0 GFADRO Brc1cnc2n1C[C@@H]([NH2+][C@@H](c1nnc[nH]1)C1CCCCC1)CC2 ZINC000898720245 663660524 /nfs/dbraw/zinc/66/05/24/663660524.db2.gz KSWIFLBASWSZNJ-SWLSCSKDSA-N 1 0 379.306 2.990 20 0 GFADRO O=C(NCC1(c2ccc(Br)cc2)CC1)C1C[NH+](C2CCOCC2)C1 ZINC000899192504 663679164 /nfs/dbraw/zinc/67/91/64/663679164.db2.gz KWKFSWOJFOXXDO-UHFFFAOYSA-N 1 0 393.325 2.708 20 0 GFADRO [NH3+][C@H](c1cn([C@@H]2CCOc3ccc(Br)cc32)nn1)[C@H]1CCCO1 ZINC000899739330 663699720 /nfs/dbraw/zinc/69/97/20/663699720.db2.gz JFQYIZFYZJBHKW-FVQBIDKESA-N 1 0 379.258 2.591 20 0 GFADRO CC(C)n1cc(Br)c(C(=O)N2CCC[C@@H]([NH2+]C3CCOCC3)C2)n1 ZINC000899926372 663702831 /nfs/dbraw/zinc/70/28/31/663702831.db2.gz LCZLKTMMQFKAES-CQSZACIVSA-N 1 0 399.333 2.600 20 0 GFADRO C[NH+](C)C[C@@H]1NC(=O)N(c2csc(-c3ccc(Br)cc3)n2)C1=O ZINC000900260576 663711073 /nfs/dbraw/zinc/71/10/73/663711073.db2.gz QYDLXLJZJMAFDZ-NSHDSACASA-N 1 0 395.282 2.559 20 0 GFADRO COc1ccc([C@@H]([NH2+]C(C)C)C(=O)NCc2ncc(Br)cn2)cc1 ZINC000900791358 663721519 /nfs/dbraw/zinc/72/15/19/663721519.db2.gz GNGCDEJSHKATMS-MRXNPFEDSA-N 1 0 393.285 2.603 20 0 GFADRO C[C@H](NC(=O)CCSc1nc2ccccc2s1)[C@H]1C[N@H+](C)CCN1C ZINC000900800388 663721664 /nfs/dbraw/zinc/72/16/64/663721664.db2.gz CQJVGOGPCMEJDK-DZGCQCFKSA-N 1 0 378.567 2.529 20 0 GFADRO CCn1c(Br)ncc1C(=O)N(CC[NH+](C)C)Cc1cccs1 ZINC000900988648 663728305 /nfs/dbraw/zinc/72/83/05/663728305.db2.gz MZGBGOXYFCGPOZ-UHFFFAOYSA-N 1 0 385.331 2.931 20 0 GFADRO NC(=O)[C@@H]([NH2+]C[C@H]1CCCN1CC(F)(F)F)c1cccc(Br)c1 ZINC000901572284 663737953 /nfs/dbraw/zinc/73/79/53/663737953.db2.gz IZHJKESBRPZHEL-OLZOCXBDSA-N 1 0 394.235 2.592 20 0 GFADRO NC(=O)[C@H]([NH2+]CCc1nc2c(s1)CCC2)c1ccc(Br)cc1 ZINC000901578800 663738392 /nfs/dbraw/zinc/73/83/92/663738392.db2.gz JEDXVPGXFBVZJK-OAHLLOKOSA-N 1 0 380.311 2.753 20 0 GFADRO Cc1cccc(NC(=O)[C@H](C)[NH2+][C@H]2CCc3ncc(Br)n3C2)c1 ZINC000901726777 663743556 /nfs/dbraw/zinc/74/35/56/663743556.db2.gz AUTGQEMNBAYTRJ-JSGCOSHPSA-N 1 0 377.286 2.886 20 0 GFADRO CC(C)(C)CN1CCC[C@H]([NH2+][C@H]2CCc3ncc(Br)n3C2)C1=O ZINC000901728924 663743835 /nfs/dbraw/zinc/74/38/35/663743835.db2.gz PKCVSWOGKGRSQR-STQMWFEESA-N 1 0 383.334 2.587 20 0 GFADRO CC[NH+]1CCC(NC(=O)COc2cnc3c(Br)cccc3c2)CC1 ZINC000902380954 663760524 /nfs/dbraw/zinc/76/05/24/663760524.db2.gz LTKQOAALWLFLFU-UHFFFAOYSA-N 1 0 392.297 2.977 20 0 GFADRO Cc1c([C@H](C)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)nnn1-c1cccc(Br)c1 ZINC000902467224 663761754 /nfs/dbraw/zinc/76/17/54/663761754.db2.gz NRIGYBPGIJPLKH-SQWYCQTGSA-N 1 0 376.302 2.882 20 0 GFADRO Cc1cc(Br)ccc1C(=O)N1CCC(N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)CC1 ZINC000902466239 663761765 /nfs/dbraw/zinc/76/17/65/663761765.db2.gz KUEYVSAUGUHHSD-BPQIPLTHSA-N 1 0 392.341 2.845 20 0 GFADRO O=c1ccn(C[N@@H+]2CCC[C@@H]2C2OCCO2)c2c(Br)cccc12 ZINC000902621816 663764683 /nfs/dbraw/zinc/76/46/83/663764683.db2.gz GLCKFXWSUKQLPO-CQSZACIVSA-N 1 0 379.254 2.559 20 0 GFADRO Cn1c2ccc(Cl)cc2n(CN2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)c1=S ZINC000902644429 663765038 /nfs/dbraw/zinc/76/50/38/663765038.db2.gz OSJKUPFMCZQZBI-HZPDHXFCSA-N 1 0 380.945 2.851 20 0 GFADRO O=S(=O)([C@@H]1CC[N@H+](Cc2ccccc2)C1)N(Cc1ccns1)C1CC1 ZINC000902722466 663766705 /nfs/dbraw/zinc/76/67/05/663766705.db2.gz YEBRDLAVSZJROB-GOSISDBHSA-N 1 0 377.535 2.712 20 0 GFADRO C[NH+]1C[C@@]2(C)CN(C(=O)c3nc(C4CC4)ncc3Br)C[C@]2(C)C1 ZINC000902806717 663767770 /nfs/dbraw/zinc/76/77/70/663767770.db2.gz NCIXIPKGYVCCEM-IRXDYDNUSA-N 1 0 379.302 2.530 20 0 GFADRO Clc1cc(I)ccc1C[NH2+][C@H]1CCO[C@]12CCOC2 ZINC000903167750 663776738 /nfs/dbraw/zinc/77/67/38/663776738.db2.gz PBIJBRWTEXLLTI-KBPBESRZSA-N 1 0 393.652 2.982 20 0 GFADRO CC(C)S(=O)(=O)CC[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)CC(C)(C)C1 ZINC000903172908 663776990 /nfs/dbraw/zinc/77/69/90/663776990.db2.gz UZCBUSBNQDBQBZ-HNNXBMFYSA-N 1 0 376.563 2.825 20 0 GFADRO C[C@@H](Cc1cnn(C)c1)[NH2+][C@@H](C)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000903186487 663777316 /nfs/dbraw/zinc/77/73/16/663777316.db2.gz LKJLNFKSCRLOON-RYUDHWBXSA-N 1 0 375.416 2.995 20 0 GFADRO C[C@@H](NCc1cn(C)nc1Br)c1ccc(OCC[NH+](C)C)cc1 ZINC000903188954 663777614 /nfs/dbraw/zinc/77/76/14/663777614.db2.gz KYZAAFGOZQRPPT-CYBMUJFWSA-N 1 0 381.318 2.974 20 0 GFADRO O=S(=O)(CC[NH2+][C@@H](c1ccccc1F)C1CCOCC1)CC(F)(F)F ZINC000903201524 663778266 /nfs/dbraw/zinc/77/82/66/663778266.db2.gz YQAJLPAWAKADKK-OAHLLOKOSA-N 1 0 383.407 2.860 20 0 GFADRO O=S(=O)(/C=C/c1ccccc1Br)N1CCC([NH+]2CCC2)CC1 ZINC000903203078 663778451 /nfs/dbraw/zinc/77/84/51/663778451.db2.gz NPMZFFYDYOJJHY-MDWZMJQESA-N 1 0 385.327 2.920 20 0 GFADRO C[C@H]([NH2+][C@H](CO)C[C@@H]1CCCO1)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000903218898 663778839 /nfs/dbraw/zinc/77/88/39/663778839.db2.gz DXWYJEFYXDZNNN-UBHSHLNASA-N 1 0 381.416 2.561 20 0 GFADRO C[C@H]([NH2+]CC1CC2(C1)OCCO2)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000903225455 663779101 /nfs/dbraw/zinc/77/91/01/663779101.db2.gz GMZPVVHCXITCCQ-NSHDSACASA-N 1 0 379.400 2.784 20 0 GFADRO C[C@H]([NH2+]C[C@@H]1CCCC[C@@H]1NS(C)(=O)=O)c1ccc(Br)cn1 ZINC000903234822 663780231 /nfs/dbraw/zinc/78/02/31/663780231.db2.gz PUYQUJDACGOEON-HUBLWGQQSA-N 1 0 390.347 2.603 20 0 GFADRO CO[C@]1(C[NH2+][C@H](C)CCc2ccc(C(F)(F)F)cc2)CCS(=O)(=O)C1 ZINC000903361752 663782573 /nfs/dbraw/zinc/78/25/73/663782573.db2.gz ASQXRDAKCXTFTL-CJNGLKHVSA-N 1 0 379.444 2.820 20 0 GFADRO CC[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C[C@]1(OC)CCS(=O)(=O)C1 ZINC000903363866 663782691 /nfs/dbraw/zinc/78/26/91/663782691.db2.gz RTVFPSWLRKMSEL-HZPDHXFCSA-N 1 0 379.444 2.820 20 0 GFADRO O=S1(=O)CC[C@H]([NH2+][C@H]2COC[C@H]2C2CC2)c2cc(Br)ccc21 ZINC000903438578 663784876 /nfs/dbraw/zinc/78/48/76/663784876.db2.gz VLPAHTAJZXGRHU-KKUMJFAQSA-N 1 0 386.311 2.682 20 0 GFADRO COC(=O)C1CC2(C1)C[C@H]([NH2+][C@@H](C)c1csc(Cl)c1)CCS2(=O)=O ZINC000903451348 663785015 /nfs/dbraw/zinc/78/50/15/663785015.db2.gz FYPXBLJBBLADTA-YSQXAGPYSA-N 1 0 391.942 2.951 20 0 GFADRO [NH3+]Cc1cn([C@@H]2CCCN(Cc3cccc(Cl)c3Br)C2)nn1 ZINC000903458915 663785163 /nfs/dbraw/zinc/78/51/63/663785163.db2.gz MYXWJRWOEKZXKB-CYBMUJFWSA-N 1 0 384.709 2.990 20 0 GFADRO CS(=O)(=O)c1ccc(-c2nc(CN[C@@H]3CC[NH2+]C34CCC4)cs2)cc1 ZINC000903470854 663785232 /nfs/dbraw/zinc/78/52/32/663785232.db2.gz OHVIQWBQXZTCND-MRXNPFEDSA-N 1 0 377.535 2.588 20 0 GFADRO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCN(S(=O)(=O)c3cc4ccccc4s3)C2)C1 ZINC000903505778 663785855 /nfs/dbraw/zinc/78/58/55/663785855.db2.gz JZRIQLYNBHKCMK-BZUAXINKSA-N 1 0 380.535 2.808 20 0 GFADRO [NH3+]C1CCC(NS(=O)(=O)Cc2cccc(Cl)c2Br)CC1 ZINC000903513000 663786256 /nfs/dbraw/zinc/78/62/56/663786256.db2.gz MUTMJHIEHQGZLU-UHFFFAOYSA-N 1 0 381.723 2.792 20 0 GFADRO C[C@@H]1CN(S(=O)(=O)Cc2cccc(Cl)c2Br)CC[C@@H]1[NH3+] ZINC000903513459 663786260 /nfs/dbraw/zinc/78/62/60/663786260.db2.gz NWOKETCOOPHXJS-SKDRFNHKSA-N 1 0 381.723 2.601 20 0 GFADRO O=S(=O)(Cc1cccc(Cl)c1Br)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000903517868 663786683 /nfs/dbraw/zinc/78/66/83/663786683.db2.gz GUGJTXMWFAKILL-MFKMUULPSA-N 1 0 393.734 2.616 20 0 GFADRO O=S(=O)(Cc1cccc(Cl)c1Br)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000903525930 663787409 /nfs/dbraw/zinc/78/74/09/663787409.db2.gz VXLRWSQMJRFPDI-STQMWFEESA-N 1 0 393.734 2.759 20 0 GFADRO [NH3+][C@@H]1CN(CCC(=O)Nc2ccccc2Br)CC[C@H]1C(F)(F)F ZINC000903535693 663787743 /nfs/dbraw/zinc/78/77/43/663787743.db2.gz QEPIMIZJXMASSU-ZYHUDNBSSA-N 1 0 394.235 2.989 20 0 GFADRO [NH3+][C@@H]1CN(S(=O)(=O)c2cccc(Cl)c2Cl)CC[C@H]1C(F)(F)F ZINC000903579028 663790109 /nfs/dbraw/zinc/79/01/09/663790109.db2.gz LEUWEIRUDBVRBE-VXNVDRBHSA-N 1 0 377.215 2.894 20 0 GFADRO O=S(=O)(c1cc(Br)sc1Cl)N1CCC[C@@]12CC[NH2+]C2 ZINC000903592857 663791015 /nfs/dbraw/zinc/79/10/15/663791015.db2.gz HSYBJGBOENKTIX-NSHDSACASA-N 1 0 385.736 2.681 20 0 GFADRO O=S(=O)(Cc1cccc(Cl)c1Br)N1CCC[C@]12CC[NH2+]C2 ZINC000903592989 663791040 /nfs/dbraw/zinc/79/10/40/663791040.db2.gz UJFVRAIMXRZYSH-CQSZACIVSA-N 1 0 393.734 2.760 20 0 GFADRO O=S(=O)(c1cc(Br)ccc1Cl)N1CCC[C@]12CC[NH2+]C2 ZINC000903595481 663791470 /nfs/dbraw/zinc/79/14/70/663791470.db2.gz LNNCPUQRBWIRQW-CYBMUJFWSA-N 1 0 379.707 2.619 20 0 GFADRO C[NH+](C)Cc1ccc(S(=O)(=O)Nc2c(Br)cnn2C2CC2)cc1 ZINC000903673325 663801373 /nfs/dbraw/zinc/80/13/73/663801373.db2.gz MWSNUQUNWFBUGH-UHFFFAOYSA-N 1 0 399.314 2.843 20 0 GFADRO CN(CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)C1(C[NH3+])CCOCC1 ZINC000903805906 663807258 /nfs/dbraw/zinc/80/72/58/663807258.db2.gz SBUZUDTWOFXYCQ-UHFFFAOYSA-N 1 0 379.810 2.737 20 0 GFADRO Brc1cccc(Cc2noc(CN3CCC[C@@]34CC[NH2+]C4)n2)c1 ZINC000903866898 663809260 /nfs/dbraw/zinc/80/92/60/663809260.db2.gz LNWKYFQUNUAKPP-KRWDZBQOSA-N 1 0 377.286 2.751 20 0 GFADRO C[C@@H]1Cc2ccc(Br)cc2CN1Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903914868 663811241 /nfs/dbraw/zinc/81/12/41/663811241.db2.gz LPHYOTYAJOTFGO-DYVFJYSZSA-N 1 0 390.329 2.912 20 0 GFADRO [NH3+][C@@H](CC(F)F)CN1CCN(Cc2cc(Br)ccc2F)CC1 ZINC000903916282 663811450 /nfs/dbraw/zinc/81/14/50/663811450.db2.gz GNNYQTBFOHWLKL-ZDUSSCGKSA-N 1 0 380.252 2.688 20 0 GFADRO COc1cc(Br)c(CNC[C@H]2C[NH2+]CCC2(F)F)cc1OC ZINC000903955446 663813595 /nfs/dbraw/zinc/81/35/95/663813595.db2.gz RUMUYSSWYMNWEJ-LLVKDONJSA-N 1 0 379.245 2.801 20 0 GFADRO C[NH+](C)C[C@@H]1CN(C(=O)c2cnc(Br)s2)c2ccccc2O1 ZINC000903966866 663813986 /nfs/dbraw/zinc/81/39/86/663813986.db2.gz SVTZJYOAPKMTDC-SNVBAGLBSA-N 1 0 382.283 2.875 20 0 GFADRO COc1ccc(CN2CC[C@H](C(F)(F)F)[C@H]([NH3+])C2)c(Br)c1O ZINC000903983614 663815225 /nfs/dbraw/zinc/81/52/25/663815225.db2.gz KLQVAYJUCPEXDP-VHSXEESVSA-N 1 0 383.208 2.875 20 0 GFADRO COc1ccc(Cc2noc(C[C@H]3CC[N@H+](C)C3)n2)c(Br)c1OC ZINC000903995016 663816272 /nfs/dbraw/zinc/81/62/72/663816272.db2.gz ONBDVEXYJPBFCP-LLVKDONJSA-N 1 0 396.285 2.934 20 0 GFADRO C[N@@H+]1CC[C@H](Cc2nc(CC(=O)Nc3ccccc3Br)no2)C1 ZINC000904050811 663820370 /nfs/dbraw/zinc/82/03/70/663820370.db2.gz PLLITBKWMRTGCG-LLVKDONJSA-N 1 0 379.258 2.508 20 0 GFADRO FC(F)Oc1ccc(-c2nc(N3CC[NH2+]CC3)no2)cc1Br ZINC000904126917 663825612 /nfs/dbraw/zinc/82/56/12/663825612.db2.gz XNAZKQHZRWWOMP-UHFFFAOYSA-N 1 0 375.173 2.510 20 0 GFADRO C[C@@H](CNC(=O)N(O)Cc1cc(Cl)cc(Cl)c1)C[NH+]1CCN(C)CC1 ZINC000904171032 663826840 /nfs/dbraw/zinc/82/68/40/663826840.db2.gz IDVJEUDXTJQVIV-ZDUSSCGKSA-N 1 0 389.327 2.778 20 0 GFADRO C[C@@]1(CN2CCn3c(c(Br)nc3C(F)(F)F)C2)CCC[NH2+]C1 ZINC000904469230 663835430 /nfs/dbraw/zinc/83/54/30/663835430.db2.gz KADJYTLTLDHZDW-CYBMUJFWSA-N 1 0 381.240 2.870 20 0 GFADRO Cc1cc(Br)nc(NC(=O)N2CC[NH2+]CCC23CCOCC3)c1 ZINC000904493707 663836365 /nfs/dbraw/zinc/83/63/65/663836365.db2.gz FOTZUPPAKLEAOH-UHFFFAOYSA-N 1 0 383.290 2.529 20 0 GFADRO COCCOc1ccc(NC(=O)N2CC[C@@H]([C@@H](C)[NH3+])C2)cc1Br ZINC000904550956 663837960 /nfs/dbraw/zinc/83/79/60/663837960.db2.gz IGGWWBBXSKFCAP-VXGBXAGGSA-N 1 0 386.290 2.675 20 0 GFADRO O=S(=O)(Cc1noc(C(F)(F)C2CC[NH2+]CC2)n1)c1ccc(Cl)cc1 ZINC000904654700 663839549 /nfs/dbraw/zinc/83/95/49/663839549.db2.gz OTCQFXASSGLKHB-UHFFFAOYSA-N 1 0 391.827 2.788 20 0 GFADRO C[C@@H]1C[NH2+]C[C@H]1Cc1nc(CS(=O)(=O)c2cc(Cl)ccc2Cl)no1 ZINC000904652650 663839587 /nfs/dbraw/zinc/83/95/87/663839587.db2.gz VHSYSBMCEFNGTQ-NXEZZACHSA-N 1 0 390.292 2.748 20 0 GFADRO Cc1sc(C[NH3+])nc1-c1nc(Cc2cc(Cl)c3c(c2)OCCO3)no1 ZINC000904661316 663839605 /nfs/dbraw/zinc/83/96/05/663839605.db2.gz XILWSKXFZOZDBO-UHFFFAOYSA-N 1 0 378.841 2.976 20 0 GFADRO CN(C)C(=O)CCN1CCC([NH2+]C[C@H](O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000905106210 663853545 /nfs/dbraw/zinc/85/35/45/663853545.db2.gz OGECHJAYQYDWLI-KRWDZBQOSA-N 1 0 388.339 2.559 20 0 GFADRO CC[C@@H](CS(=O)(=O)c1ccccc1)[NH2+]C[C@@](C)(O)C(F)(F)C(F)(F)F ZINC000905179196 663856892 /nfs/dbraw/zinc/85/68/92/663856892.db2.gz HULHQNMIBMCOQN-WCQYABFASA-N 1 0 389.386 2.777 20 0 GFADRO O=C1[C@@H]([NH2+]C[C@H](O)CCC2(O)CCC2)CCN1c1ccc(Cl)c(Cl)c1 ZINC000905202887 663858294 /nfs/dbraw/zinc/85/82/94/663858294.db2.gz ORRQVDJHLXYSMI-CJNGLKHVSA-N 1 0 387.307 2.744 20 0 GFADRO Cc1cc(Br)cn2cc(C[NH2+]C[C@H](O)CC3(O)CCCC3)nc12 ZINC000905213519 663859203 /nfs/dbraw/zinc/85/92/03/663859203.db2.gz PLPXCWXDUZKISC-OAHLLOKOSA-N 1 0 382.302 2.551 20 0 GFADRO Cc1cc(Br)cn2cc(C[NH2+]C[C@H](O)CCC3(O)CCC3)nc12 ZINC000905215125 663859471 /nfs/dbraw/zinc/85/94/71/663859471.db2.gz XTJJBNXQSPWWAM-OAHLLOKOSA-N 1 0 382.302 2.551 20 0 GFADRO O=S(=O)(CC1CC[NH2+]CC1)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 ZINC000905333025 663865895 /nfs/dbraw/zinc/86/58/95/663865895.db2.gz UGTSDUBZLFONOB-GHMZBOCLSA-N 1 0 396.397 2.815 20 0 GFADRO O=S(=O)(CC1CC[NH2+]CC1)NC1(c2cccc(Br)c2)CCC1 ZINC000905334287 663866176 /nfs/dbraw/zinc/86/61/76/663866176.db2.gz PREYFEYDTXGFEC-UHFFFAOYSA-N 1 0 387.343 2.747 20 0 GFADRO O[C@H](C[NH2+]CCc1ccns1)COc1cc(F)cc(Br)c1 ZINC000905417576 663870532 /nfs/dbraw/zinc/87/05/32/663870532.db2.gz NRAWHRYEPYRHKX-GFCCVEGCSA-N 1 0 375.263 2.617 20 0 GFADRO C[C@](O)(C[NH2+]C[C@@H](CO)Cc1ccoc1)c1ccc(Br)cc1F ZINC000905420304 663870754 /nfs/dbraw/zinc/87/07/54/663870754.db2.gz RMUWLJFPCONECB-GUYCJALGSA-N 1 0 386.261 2.830 20 0 GFADRO COC(=O)C1CC2(C1)C[C@@H]([NH2+]C[C@@H](O)c1ccc(Br)cc1)CCO2 ZINC000905489011 663873826 /nfs/dbraw/zinc/87/38/26/663873826.db2.gz IDUPQSQNWIJAHT-ZWEVUMDMSA-N 1 0 398.297 2.573 20 0 GFADRO COC(=O)C1CC2(C1)C[C@@H]([NH2+]C[C@H](O)c1cccc(Br)c1)CCO2 ZINC000905488110 663873868 /nfs/dbraw/zinc/87/38/68/663873868.db2.gz BEACGUJWGLKEIS-PWFYPYPJSA-N 1 0 398.297 2.573 20 0 GFADRO CS(=O)(=O)C1CCC(C[NH2+]C[C@H](O)c2cccc(C(F)(F)F)c2)CC1 ZINC000905507794 663874691 /nfs/dbraw/zinc/87/46/91/663874691.db2.gz FBTYVZKHYBCBKD-MOQPWLNLSA-N 1 0 379.444 2.932 20 0 GFADRO CN(C)S(=O)(=O)Cc1ccc(C[NH2+]C[C@H](O)c2ccc(Cl)cc2)cc1 ZINC000905516352 663875404 /nfs/dbraw/zinc/87/54/04/663875404.db2.gz MAMIGOQWTVUUQF-SFHVURJKSA-N 1 0 382.913 2.555 20 0 GFADRO COC(=O)[C@@H]1C[C@@H]2C[C@H]([NH2+]C[C@@H](O)COc3cc(Cl)ccc3Cl)[C@@H]2C1 ZINC000905655410 663884043 /nfs/dbraw/zinc/88/40/43/663884043.db2.gz WNOCOAZEMQGAGJ-CRIQSBETSA-N 1 0 388.291 2.910 20 0 GFADRO COC(=O)[C@@H]1C[C@@H]2C[C@H]([NH2+]C[C@H](O)COc3cc(Cl)ccc3Cl)[C@@H]2C1 ZINC000905655413 663884068 /nfs/dbraw/zinc/88/40/68/663884068.db2.gz WNOCOAZEMQGAGJ-KBGOUTFTSA-N 1 0 388.291 2.910 20 0 GFADRO C[N@H+](Cc1cn(Cc2nnc(-c3ccc(Br)o3)o2)nn1)C(C)(C)C ZINC000905784292 663892274 /nfs/dbraw/zinc/89/22/74/663892274.db2.gz QNYFDWBRCURLID-UHFFFAOYSA-N 1 0 395.261 2.962 20 0 GFADRO [NH3+][C@H]1CCCN(Cc2cn(Cc3cccc(Cl)c3Br)nn2)C1 ZINC000905833065 663894886 /nfs/dbraw/zinc/89/48/86/663894886.db2.gz MOXPPBQSHGJGIF-LBPRGKRZSA-N 1 0 384.709 2.665 20 0 GFADRO CCOCCCNC(=O)[C@H](C)[NH2+][C@H]1CCOc2ccc(Br)cc21 ZINC000905852640 663896805 /nfs/dbraw/zinc/89/68/05/663896805.db2.gz LFAGQFZQFJPROR-WFASDCNBSA-N 1 0 385.302 2.794 20 0 GFADRO CN1CC[NH+](C[C@@H](O)CNc2cc(Br)c3ccccc3c2)CC1 ZINC000905981883 663905177 /nfs/dbraw/zinc/90/51/77/663905177.db2.gz MBGOTUZZLVJKLT-INIZCTEOSA-N 1 0 378.314 2.623 20 0 GFADRO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(Cc1ncc[nH]1)c1cncc(Br)c1 ZINC000905984930 663905480 /nfs/dbraw/zinc/90/54/80/663905480.db2.gz RGQWRJPDCHFVKT-OAHLLOKOSA-N 1 0 392.301 2.973 20 0 GFADRO Cc1ccc(NS(=O)(=O)N=[S@](C)(=O)c2ccccc2)c(C[NH+](C)C)c1 ZINC000906057727 663915426 /nfs/dbraw/zinc/91/54/26/663915426.db2.gz MNJUBVBBCGQBCQ-XMMPIXPASA-N 1 0 381.523 2.870 20 0 GFADRO CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1cc(Cl)c(Cl)c(NC(=O)CO)c1 ZINC000906100831 663925001 /nfs/dbraw/zinc/92/50/01/663925001.db2.gz HFJBGSBYCIWFLJ-LBPRGKRZSA-N 1 0 390.311 2.630 20 0 GFADRO C[C@H](CNC(=O)c1nscc1I)[N@@H+]1CCCC[C@@H]1C ZINC000906150595 663929344 /nfs/dbraw/zinc/92/93/44/663929344.db2.gz NUOQCLYBKASBFK-VHSXEESVSA-N 1 0 393.294 2.740 20 0 GFADRO Cc1c(C(=O)N2CCC([NH+](C)C)CC2)nnn1-c1ccccc1Br ZINC000906623782 663961377 /nfs/dbraw/zinc/96/13/77/663961377.db2.gz HDXBLAJOFMDMTM-UHFFFAOYSA-N 1 0 392.301 2.504 20 0 GFADRO [NH3+]C[C@H]1C[C@H](NC(=O)C(=O)Nc2cc(Cl)ccc2SCC(F)(F)F)C1 ZINC000906738795 663968114 /nfs/dbraw/zinc/96/81/14/663968114.db2.gz KFBSLYIRHIWGOZ-CZMCAQCFSA-N 1 0 395.834 2.786 20 0 GFADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H](OC)c2ccc(Br)s2)C1 ZINC000906848350 663976253 /nfs/dbraw/zinc/97/62/53/663976253.db2.gz WLPFMIUUAJNKNQ-SMDDNHRTSA-N 1 0 375.332 2.998 20 0 GFADRO O=S(=O)(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1c[nH]c2c1cccc2Br ZINC000906846121 663976312 /nfs/dbraw/zinc/97/63/12/663976312.db2.gz OMTMRNQFVPNFCE-RYUDHWBXSA-N 1 0 398.326 2.836 20 0 GFADRO CCO[C@H](CC[NH+](C)C)CNC(=O)Cc1sc(C)cc1Br ZINC000906943391 663984732 /nfs/dbraw/zinc/98/47/32/663984732.db2.gz ZFBOTXFCIHUQSZ-GFCCVEGCSA-N 1 0 377.348 2.835 20 0 GFADRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)C(F)(F)c2ncccc2Br)C1 ZINC000907065096 663998899 /nfs/dbraw/zinc/99/88/99/663998899.db2.gz NENRRHIMAXHZDI-YPMHNXCESA-N 1 0 388.256 2.879 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2S(=O)(=O)c1cc2ccccc2s1 ZINC000907065820 663998902 /nfs/dbraw/zinc/99/89/02/663998902.db2.gz MISCLIZDOWRUDW-BZUAXINKSA-N 1 0 380.535 2.774 20 0 GFADRO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)S(=O)(=O)CC[C@H]3CCCO3)C2)s1 ZINC000907344175 664025969 /nfs/dbraw/zinc/02/59/69/664025969.db2.gz CQHCEBRLEDEQEH-DLBZAZTESA-N 1 0 386.583 2.709 20 0 GFADRO O=C(Nc1cc(Br)c(F)cc1F)C1C[NH+](C2CCOCC2)C1 ZINC000907639860 664049677 /nfs/dbraw/zinc/04/96/77/664049677.db2.gz KYCXRFYAISBSAN-UHFFFAOYSA-N 1 0 375.213 2.777 20 0 GFADRO C[NH+]1CCC2(CCN2S(=O)(=O)c2c[nH]c3c2cccc3Br)CC1 ZINC000907858128 664066740 /nfs/dbraw/zinc/06/67/40/664066740.db2.gz VLFBIVMSMSRBTO-UHFFFAOYSA-N 1 0 398.326 2.789 20 0 GFADRO C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)N1CCC(c2cccc(Br)c2)CC1 ZINC000907979954 664075286 /nfs/dbraw/zinc/07/52/86/664075286.db2.gz OHLDLAMYNYOSEP-AEFFLSMTSA-N 1 0 381.314 2.610 20 0 GFADRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1cccn2ncc(Br)c12 ZINC000908150020 664088077 /nfs/dbraw/zinc/08/80/77/664088077.db2.gz YARNDWHLQZRUFI-STQMWFEESA-N 1 0 377.286 2.796 20 0 GFADRO C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1ccc(Cn2cc(Br)cn2)s1 ZINC000908416953 664104941 /nfs/dbraw/zinc/10/49/41/664104941.db2.gz UTVFWFVMZYEQTD-FZMZJTMJSA-N 1 0 397.342 2.920 20 0 GFADRO CC(C)[NH2+]C1(CO)CCN(C(=O)C[C@@H](O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000908601804 664116725 /nfs/dbraw/zinc/11/67/25/664116725.db2.gz JRRATMPISVYBTI-MRXNPFEDSA-N 1 0 389.323 2.768 20 0 GFADRO CC(C)[NH2+]C1(CO)CCN(C(=O)c2c(F)ccc(Br)c2F)CC1 ZINC000908602678 664117126 /nfs/dbraw/zinc/11/71/26/664117126.db2.gz SCRFTSWVSUSQJY-UHFFFAOYSA-N 1 0 391.256 2.692 20 0 GFADRO CCN(C(=O)C(F)(F)c1ncccc1Br)C1CC[NH+](C)CC1 ZINC000908914546 664136058 /nfs/dbraw/zinc/13/60/58/664136058.db2.gz UNASERNPSUOTSU-UHFFFAOYSA-N 1 0 376.245 2.879 20 0 GFADRO CC(C)[NH+]1CCN(CCCOC(=O)c2ccc(Br)c(C=O)c2)CC1 ZINC000910118703 664193882 /nfs/dbraw/zinc/19/38/82/664193882.db2.gz GTDACQXODNNAJK-UHFFFAOYSA-N 1 0 397.313 2.835 20 0 GFADRO CC[N@@H+]1CCCN(C(=O)C(F)(F)c2ncccc2Br)[C@H](C)C1 ZINC000910269128 664203995 /nfs/dbraw/zinc/20/39/95/664203995.db2.gz HXWDIBVLSWOHER-LLVKDONJSA-N 1 0 376.245 2.879 20 0 GFADRO C[N@@H+]1CCC[C@](O)(CC(=O)NCc2cccc(Br)c2Cl)C1 ZINC000910408585 664209920 /nfs/dbraw/zinc/20/99/20/664209920.db2.gz QLZPZVLOZDLISX-HNNXBMFYSA-N 1 0 375.694 2.566 20 0 GFADRO C[N@@H+]1CC[C@@H](C(=O)N2CCc3[nH]cnc3[C@H]2c2ccc(Br)cc2)C1 ZINC000911253685 664240872 /nfs/dbraw/zinc/24/08/72/664240872.db2.gz HVZMIPMTDPNSIB-CXAGYDPISA-N 1 0 389.297 2.598 20 0 GFADRO CN(CC[NH+](C)C)c1ccc(Br)cc1NC(=O)[C@@H]1[C@@H]2CCC(=O)[C@@H]21 ZINC000911313914 664243037 /nfs/dbraw/zinc/24/30/37/664243037.db2.gz YLINHQWUMLLMPH-CSMYWGQOSA-N 1 0 394.313 2.611 20 0 GFADRO O=C(N[C@H]1C[C@@H]([NH+]2CCCC2)C1)c1cnnn1-c1cc(Cl)ccc1Cl ZINC000911582357 664249469 /nfs/dbraw/zinc/24/94/69/664249469.db2.gz NTHSNBXCBJRZPU-BETUJISGSA-N 1 0 380.279 2.931 20 0 GFADRO [NH3+]C[C@H]1CCCCN1C(=O)c1cnn(Cc2ccccc2)c1Br ZINC000911721356 664254308 /nfs/dbraw/zinc/25/43/08/664254308.db2.gz LCMURKDFMJOIJP-CQSZACIVSA-N 1 0 377.286 2.647 20 0 GFADRO C[C@H](NC(=O)c1cnn(Cc2ccccc2)c1Br)[C@H]1CCC[NH2+]C1 ZINC000911726884 664254311 /nfs/dbraw/zinc/25/43/11/664254311.db2.gz VUHUGQGWBIGKHJ-ZFWWWQNUSA-N 1 0 391.313 2.812 20 0 GFADRO [NH3+]C[C@H]1CCN(C(=O)c2c(Cl)ccc(I)c2F)C1 ZINC000911739551 664254757 /nfs/dbraw/zinc/25/47/57/664254757.db2.gz XWKDXLJCKNBEEA-SSDOTTSWSA-N 1 0 382.604 2.505 20 0 GFADRO CCCN(C(=O)c1cc(Br)c(Br)[nH]1)[C@H]1CC[NH2+]C1 ZINC000911770021 664256374 /nfs/dbraw/zinc/25/63/74/664256374.db2.gz YLIHGKXSSIULJF-QMMMGPOBSA-N 1 0 379.096 2.754 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)c2ccc(Cn3cc(Br)cn3)s2)C1 ZINC000911818675 664256975 /nfs/dbraw/zinc/25/69/75/664256975.db2.gz ARJVUMPPYHOXAH-NEPJUHHUSA-N 1 0 397.342 2.955 20 0 GFADRO C[NH+]1CCC(N(CCO)C(=O)CCOc2ccc(Cl)c(Cl)c2)CC1 ZINC000911935307 664262558 /nfs/dbraw/zinc/26/25/58/664262558.db2.gz OOBQZGQXMXOIKU-UHFFFAOYSA-N 1 0 375.296 2.677 20 0 GFADRO O=C(c1cc(Cl)cc(Cl)c1)N1CCN(C(=O)C2=CCC[NH2+]CC2)CC1 ZINC000912232129 664276990 /nfs/dbraw/zinc/27/69/90/664276990.db2.gz ARFRQUZFNRYIAC-UHFFFAOYSA-N 1 0 382.291 2.588 20 0 GFADRO O=C(c1ccc(Cl)cc1Cl)N1CCN(C(=O)C2=CCC[NH2+]CC2)CC1 ZINC000912289749 664280085 /nfs/dbraw/zinc/28/00/85/664280085.db2.gz PIUYRXPYIGONJD-UHFFFAOYSA-N 1 0 382.291 2.588 20 0 GFADRO CC(C)C[NH2+]C1(CO)CCN(C(=O)c2sccc2Br)CC1 ZINC000912591374 664294215 /nfs/dbraw/zinc/29/42/15/664294215.db2.gz GNOULWZUTKQKLV-UHFFFAOYSA-N 1 0 375.332 2.723 20 0 GFADRO CC(C)C[NH2+]C1(CO)CCN(C(=O)Cc2cscc2Br)CC1 ZINC000912589016 664294238 /nfs/dbraw/zinc/29/42/38/664294238.db2.gz RCAKQWOBJXTLHR-UHFFFAOYSA-N 1 0 389.359 2.652 20 0 GFADRO C[C@H](C[NH+](C)C)[C@H]1CCCCN1C(=O)c1cnn2cc(Br)cnc12 ZINC000912810062 664303412 /nfs/dbraw/zinc/30/34/12/664303412.db2.gz ONFMUSHMJXXMTI-IUODEOHRSA-N 1 0 394.317 2.684 20 0 GFADRO O=C(c1ccc(Cl)s1)N1CCC(C(=O)N2CC[C@H]([NH+]3CCC3)C2)CC1 ZINC000912920337 664310308 /nfs/dbraw/zinc/31/03/08/664310308.db2.gz TXKWVMRRBASFAA-AWEZNQCLSA-N 1 0 381.929 2.560 20 0 GFADRO CN(C)C(=O)c1ccc(C[NH2+]C[C@H](O)c2cccc(Br)c2)cc1 ZINC000913116713 664325491 /nfs/dbraw/zinc/32/54/91/664325491.db2.gz HECJCIZZNVDAFL-KRWDZBQOSA-N 1 0 377.282 2.974 20 0 GFADRO C[NH+]1C[C@@]2(C)CN(C(=O)c3cn4c(Br)cnc4s3)C[C@]2(C)C1 ZINC000913277408 664331054 /nfs/dbraw/zinc/33/10/54/664331054.db2.gz TZJDUCXXWTWWPU-GJZGRUSLSA-N 1 0 383.315 2.572 20 0 GFADRO Cc1onc(-c2cccc(Br)c2)c1C(=O)NC12CC[NH+](CC1)C2 ZINC000913630888 664346774 /nfs/dbraw/zinc/34/67/74/664346774.db2.gz FLGGKXBOGBQYBK-UHFFFAOYSA-N 1 0 376.254 2.991 20 0 GFADRO C[NH+](C)CC1(O)CCN(C(=O)c2ccc(Br)cc2Cl)CC1 ZINC000913680804 664349597 /nfs/dbraw/zinc/34/95/97/664349597.db2.gz DKYUUKPPZKZVAR-UHFFFAOYSA-N 1 0 375.694 2.631 20 0 GFADRO O=S(=O)(Cc1ccsc1Br)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000913933551 664366583 /nfs/dbraw/zinc/36/65/83/664366583.db2.gz KWNDJFCXEKREBR-RYUDHWBXSA-N 1 0 379.345 2.557 20 0 GFADRO Cc1ccc(CN(CC[NH+](C)C)S(=O)(=O)c2occc2Br)o1 ZINC000913949537 664368253 /nfs/dbraw/zinc/36/82/53/664368253.db2.gz QVYLSEUHFYYNGM-UHFFFAOYSA-N 1 0 391.287 2.696 20 0 GFADRO CCN(CC)[C@H](CNC(=O)NCC(C)(C)CS(C)(=O)=O)c1ccsc1 ZINC000914065682 664374022 /nfs/dbraw/zinc/37/40/22/664374022.db2.gz CCXYWWVGOGGXDI-OAHLLOKOSA-N 1 0 389.587 2.501 20 0 GFADRO C[NH+](C)C[C@@H]1CCN(S(=O)(=O)Cc2cccc(Cl)c2Br)C1 ZINC000914112112 664377402 /nfs/dbraw/zinc/37/74/02/664377402.db2.gz ZUEDWRQNOSLJRP-NSHDSACASA-N 1 0 395.750 2.816 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2S(=O)(=O)c1cscc1C(F)F ZINC000914275446 664393864 /nfs/dbraw/zinc/39/38/64/664393864.db2.gz QIJXIINUQUDZPE-KGYLQXTDSA-N 1 0 380.482 2.558 20 0 GFADRO CC[NH+](CC)[C@H](CNC(=O)NCc1cnc(Br)cn1)c1ccco1 ZINC000915077657 664420869 /nfs/dbraw/zinc/42/08/69/664420869.db2.gz APGYVQPFQPOIHP-CYBMUJFWSA-N 1 0 396.289 2.714 20 0 GFADRO COc1ccc(OC)c([C@H](O)C[NH2+]Cc2ccc(O)c(Br)c2)c1 ZINC000915224888 664424325 /nfs/dbraw/zinc/42/43/25/664424325.db2.gz WSQMOSWSSZKYEB-MRXNPFEDSA-N 1 0 382.254 2.995 20 0 GFADRO COC(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000915354400 664428870 /nfs/dbraw/zinc/42/88/70/664428870.db2.gz LXIHOGPLBZCWPG-OLZOCXBDSA-N 1 0 388.917 2.525 20 0 GFADRO C[NH+](C)CCN(Cc1ccsc1)S(=O)(=O)c1occc1Br ZINC000916270476 664455549 /nfs/dbraw/zinc/45/55/49/664455549.db2.gz VFNYUMQQWSQANJ-UHFFFAOYSA-N 1 0 393.328 2.856 20 0 GFADRO O[C@H](C[NH2+]CCOc1ccc2c(c1)OCO2)c1cccc(Br)c1 ZINC000917007273 664475164 /nfs/dbraw/zinc/47/51/64/664475164.db2.gz WZFZIECTHKZAOB-OAHLLOKOSA-N 1 0 380.238 2.880 20 0 GFADRO C[C@@]1(Cc2cc(Cl)cs2)CCCN1C(=O)NC1CC[NH+](CCO)CC1 ZINC000917841716 664490800 /nfs/dbraw/zinc/49/08/00/664490800.db2.gz AQQQPGIEVBQWAB-SFHVURJKSA-N 1 0 385.961 2.965 20 0 GFADRO C[C@@H](C[NH+](C)C)[C@@H]1CCCCN1S(=O)(=O)c1occc1Br ZINC000917867700 664491436 /nfs/dbraw/zinc/49/14/36/664491436.db2.gz YDWKXPQYCVGJGA-AAEUAGOBSA-N 1 0 379.320 2.783 20 0 GFADRO CC[N@@H+]1CCCC[C@H]1CNC(=O)N1CCC[C@@H]1c1ncc(Br)cn1 ZINC000917897869 664492207 /nfs/dbraw/zinc/49/22/07/664492207.db2.gz FEEYGYRKAWRSSJ-LSDHHAIUSA-N 1 0 396.333 2.960 20 0 GFADRO C[C@@H](NC(=O)NC[C@@H]1C[N@H+](C)CCN1C)c1cc(Cl)cc(Cl)c1F ZINC000917959209 664493300 /nfs/dbraw/zinc/49/33/00/664493300.db2.gz BOUZFTUEDDPFOM-ZYHUDNBSSA-N 1 0 377.291 2.739 20 0 GFADRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)N(C)Cc1ncc(Br)cn1 ZINC000919528834 664513966 /nfs/dbraw/zinc/51/39/66/664513966.db2.gz QBHFDLWTZFZZOI-AWEZNQCLSA-N 1 0 384.322 2.645 20 0 GFADRO O=C(NCc1nc(C(F)(F)F)cs1)N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000919896350 664519402 /nfs/dbraw/zinc/51/94/02/664519402.db2.gz QJQGAFOQAXESNN-VHSXEESVSA-N 1 0 380.461 2.541 20 0 GFADRO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2ccc(Cl)c(S(C)(=O)=O)c2)C1 ZINC000920744506 664530288 /nfs/dbraw/zinc/53/02/88/664530288.db2.gz NQIHXVGKDAECRB-ZDUSSCGKSA-N 1 0 386.945 2.984 20 0 GFADRO COC(=O)c1sccc1S(=O)(=O)NC1CCC(C)([NH+]2CCCC2)CC1 ZINC000921281063 664540174 /nfs/dbraw/zinc/54/01/74/664540174.db2.gz LQFNHWYAQGTJGI-UHFFFAOYSA-N 1 0 386.539 2.610 20 0 GFADRO O=C(c1ccccc1F)N1CCC([NH2+]Cc2nc(Br)c[nH]2)CC1 ZINC000921530252 664552440 /nfs/dbraw/zinc/55/24/40/664552440.db2.gz KPECTIIHPUOGLH-UHFFFAOYSA-N 1 0 381.249 2.706 20 0 GFADRO CC1([NH+]2CCC2)CCC(NS(=O)(=O)c2cncc(Br)c2)CC1 ZINC000921723110 664564460 /nfs/dbraw/zinc/56/44/60/664564460.db2.gz WNPGPISWBPBEGT-UHFFFAOYSA-N 1 0 388.331 2.529 20 0 GFADRO CC(C)(C[NH2+]Cc1cc[nH]c(=O)c1)S(=O)(=O)c1ccc(Br)cc1 ZINC000921756787 664566682 /nfs/dbraw/zinc/56/66/82/664566682.db2.gz YVTMPNDGLODJFD-UHFFFAOYSA-N 1 0 399.310 2.892 20 0 GFADRO Cc1cccc(C[NH2+][C@H]2CCN(S(C)(=O)=O)C[C@H]2C)c1Br ZINC000921801995 664569831 /nfs/dbraw/zinc/56/98/31/664569831.db2.gz YVTNGZCOCLPWIP-OCCSQVGLSA-N 1 0 375.332 2.517 20 0 GFADRO CCn1c(C[NH2+]C[C@@H]2CC[C@H](O)C2)nc(Br)c1Br ZINC000922044309 664582578 /nfs/dbraw/zinc/58/25/78/664582578.db2.gz NAFMVUDZNVDJJZ-BDAKNGLRSA-N 1 0 381.112 2.679 20 0 GFADRO CCn1c(C[NH2+][C@@H]2CCOC[C@@H]2C)nc(Br)c1Br ZINC000922064452 664583597 /nfs/dbraw/zinc/58/35/97/664583597.db2.gz PEGNPCXECTZFTN-DTWKUNHWSA-N 1 0 381.112 2.943 20 0 GFADRO Cc1cccc(C[NH2+]CC2(N3CCOCC3)CCOCC2)c1Br ZINC000922176701 664588877 /nfs/dbraw/zinc/58/88/77/664588877.db2.gz ALNJCDPRANTTMY-UHFFFAOYSA-N 1 0 383.330 2.729 20 0 GFADRO CCn1c(Br)c(Br)nc1CN[C@@H]1CC[N@H+](CC)C1 ZINC000922183711 664589369 /nfs/dbraw/zinc/58/93/69/664589369.db2.gz GYEHRMSJCHDYEN-SECBINFHSA-N 1 0 380.128 2.612 20 0 GFADRO Ic1cnc(C[NH2+]CCCO[C@H]2CCCCO2)s1 ZINC000922233959 664591056 /nfs/dbraw/zinc/59/10/56/664591056.db2.gz UIFHJGNMZOMVBU-LBPRGKRZSA-N 1 0 382.267 2.771 20 0 GFADRO Cc1ccnc(CN[C@@H]2C[C@@]3(C[N@@H+](C)[C@H]3C(C)C)C[C@H]2O)c1Br ZINC000922391377 664598532 /nfs/dbraw/zinc/59/85/32/664598532.db2.gz VRJFIGBMUFPQMI-WCZJQEMASA-N 1 0 382.346 2.722 20 0 GFADRO Cn1nccc1[C@@H]1[C@@H]([NH2+]Cc2ccc(Br)s2)CCC(=O)N1C ZINC000922407278 664600049 /nfs/dbraw/zinc/60/00/49/664600049.db2.gz RXEAUAXDONAUHE-NHYWBVRUSA-N 1 0 383.315 2.696 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+]C[C@H]2CCC[C@H](C(F)(F)F)O2)cc1Cl ZINC000922699435 664611147 /nfs/dbraw/zinc/61/11/47/664611147.db2.gz WSMRPKCUQZDKAM-ZWNOBZJWSA-N 1 0 386.823 2.577 20 0 GFADRO Cc1nn(-c2ccccc2Br)cc1C[NH2+]C[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000922726099 664612198 /nfs/dbraw/zinc/61/21/98/664612198.db2.gz QEINLFGZSMKVKX-XUWXXGDYSA-N 1 0 392.297 2.837 20 0 GFADRO COc1cc(C[NH2+]CC(C)(C)CS(C)(=O)=O)ccc1OCC(F)(F)F ZINC000922738558 664612788 /nfs/dbraw/zinc/61/27/88/664612788.db2.gz RWJDTGPCQOEVGW-UHFFFAOYSA-N 1 0 383.432 2.797 20 0 GFADRO Cc1nc2c(cccc2CC[NH2+]Cc2c(I)cnn2C)o1 ZINC000922772835 664614085 /nfs/dbraw/zinc/61/40/85/664614085.db2.gz XPNMSEPHMJGMSN-UHFFFAOYSA-N 1 0 396.232 2.807 20 0 GFADRO COc1cc(C[NH2+]CC[C@H]2CNC(=O)C2)cc(Br)c1OC(F)F ZINC000922782618 664614247 /nfs/dbraw/zinc/61/42/47/664614247.db2.gz RQCQHMPMBVJQQD-SECBINFHSA-N 1 0 393.228 2.675 20 0 GFADRO Cn1ncc(I)c1C[NH2+]C[C@H]1CCCC2(CCC2)O1 ZINC000922812781 664615267 /nfs/dbraw/zinc/61/52/67/664615267.db2.gz PDCMTHKILSFFFW-LLVKDONJSA-N 1 0 375.254 2.606 20 0 GFADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+][C@@H]1CCS[C@H](C)C1 ZINC000922844732 664616341 /nfs/dbraw/zinc/61/63/41/664616341.db2.gz YRZADHZVJXQHLJ-RAIGVLPGSA-N 1 0 377.963 2.578 20 0 GFADRO C[N@@H+]1CCC[C@@H](CCNC(=O)N2CCC[C@@H]2c2ncc(Br)cn2)C1 ZINC000922854419 664616683 /nfs/dbraw/zinc/61/66/83/664616683.db2.gz XYBROLIYVKKTBY-DZGCQCFKSA-N 1 0 396.333 2.818 20 0 GFADRO O=C(Cc1ccc(F)cc1Br)N1CCC([NH2+]C2CCOCC2)CC1 ZINC000922877756 664617482 /nfs/dbraw/zinc/61/74/82/664617482.db2.gz SHAGYONORRDDFL-UHFFFAOYSA-N 1 0 399.304 2.890 20 0 GFADRO CCOCCOCC[NH2+]Cc1cc(Br)cc(Br)c1N ZINC000922945860 664619639 /nfs/dbraw/zinc/61/96/39/664619639.db2.gz VYHGNRTUAYPFIO-UHFFFAOYSA-N 1 0 396.123 2.937 20 0 GFADRO COc1cc(C[NH2+]C[C@@H]2CCN2C2CCOCC2)cc(Br)c1O ZINC000922951409 664619832 /nfs/dbraw/zinc/61/98/32/664619832.db2.gz NXVWCBVBZQNVDL-AWEZNQCLSA-N 1 0 385.302 2.506 20 0 GFADRO COc1cc(Br)c(CNC[C@@H]2CC[N@@H+]2C2CCOCC2)cc1OC ZINC000922951693 664619839 /nfs/dbraw/zinc/61/98/39/664619839.db2.gz QMETZIOPWLUIJR-HNNXBMFYSA-N 1 0 399.329 2.809 20 0 GFADRO Cn1cc(C[NH2+]CC[C@H]2CCC3(CCC3)O2)c(I)n1 ZINC000922968614 664620228 /nfs/dbraw/zinc/62/02/28/664620228.db2.gz UGFKDGJNZQTLMF-GFCCVEGCSA-N 1 0 375.254 2.606 20 0 GFADRO CC1(C)C[NH2+]CCN1C[C@H](O)COc1ccc(Cl)cc1Br ZINC000923291283 664627573 /nfs/dbraw/zinc/62/75/73/664627573.db2.gz DHYUXLNXTWMKNC-LBPRGKRZSA-N 1 0 377.710 2.526 20 0 GFADRO C[C@@H]1[C@H](C)[NH2+]CCN1C[C@H](O)COc1ccc(Cl)cc1Br ZINC000923346647 664628777 /nfs/dbraw/zinc/62/87/77/664628777.db2.gz UGPFFPQMTXVMTI-LOWVWBTDSA-N 1 0 377.710 2.524 20 0 GFADRO O[C@@H](COc1ccc(Cl)cc1Br)CN1CC[C@]2(CCC[NH2+]2)C1 ZINC000923380597 664629293 /nfs/dbraw/zinc/62/92/93/664629293.db2.gz PUPOFFYCSDHVNR-CZUORRHYSA-N 1 0 389.721 2.670 20 0 GFADRO [NH3+]C[C@@H]1CN(C[C@@H](O)COc2ccc(Cl)cc2Cl)C[C@H]1C(F)(F)F ZINC000923427695 664630208 /nfs/dbraw/zinc/63/02/08/664630208.db2.gz UWZQPJCYYBUZMY-YUSALJHKSA-N 1 0 387.229 2.802 20 0 GFADRO [NH3+]C[C@@H]1CN(C[C@H](O)COc2cc(Cl)ccc2Cl)C[C@H]1C(F)(F)F ZINC000923423914 664630212 /nfs/dbraw/zinc/63/02/12/664630212.db2.gz CUHMVZILWBKTDL-ADEWGFFLSA-N 1 0 387.229 2.802 20 0 GFADRO C[C@@H]1C[NH2+][C@@H](C)[C@@H](C)N1CC(=O)Nc1c(F)cc(F)cc1Br ZINC000923446200 664630711 /nfs/dbraw/zinc/63/07/11/664630711.db2.gz XNUPFQXAPSZLGX-KXUCPTDWSA-N 1 0 376.245 2.737 20 0 GFADRO C[C@H]1CN(Cc2csc(-c3ccc(S(C)(=O)=O)cc3)n2)CC[C@H]1C[NH3+] ZINC000923501651 664631515 /nfs/dbraw/zinc/63/15/15/664631515.db2.gz RTSYAXUYXZVWML-ZFWWWQNUSA-N 1 0 379.551 2.630 20 0 GFADRO Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NS(=O)(=O)[C@H]1CCC[NH2+]C1 ZINC000923607217 664634477 /nfs/dbraw/zinc/63/44/77/664634477.db2.gz YLXQNLWSOBNZBN-WFASDCNBSA-N 1 0 383.514 2.990 20 0 GFADRO [NH3+]C[C@H]1CC2(CO1)CCN(S(=O)(=O)c1cccc(Cl)c1Cl)CC2 ZINC000923687438 664635794 /nfs/dbraw/zinc/63/57/94/664635794.db2.gz XSKGBLPJYRCUMK-LLVKDONJSA-N 1 0 379.309 2.512 20 0 GFADRO [NH3+]C[C@@]1(c2ccccc2)C[C@H](NS(=O)(=O)Cc2ccc(F)cc2Cl)C1 ZINC000923742210 664637385 /nfs/dbraw/zinc/63/73/85/664637385.db2.gz ZBDGWCVOLJHNGT-MAEOIBBWSA-N 1 0 382.888 2.958 20 0 GFADRO Brc1cnc(C2CC2)nc1-c1nc([C@H]2C[N@@H+]3CCC[C@@H]3CO2)no1 ZINC000923959341 664641705 /nfs/dbraw/zinc/64/17/05/664641705.db2.gz IGUATLRZLYDJAD-ZYHUDNBSSA-N 1 0 392.257 2.702 20 0 GFADRO Brc1cccn2ncc(-c3nc([C@H]4C[N@@H+]5CCC[C@@H]5CO4)no3)c12 ZINC000923961734 664641932 /nfs/dbraw/zinc/64/19/32/664641932.db2.gz XRYBUIXNTOMKBH-ZWNOBZJWSA-N 1 0 390.241 2.683 20 0 GFADRO O=C(c1cc(Br)n[nH]1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000924143786 664649024 /nfs/dbraw/zinc/64/90/24/664649024.db2.gz XWIYYECKRGZCLC-LSDHHAIUSA-N 1 0 389.297 2.766 20 0 GFADRO CCCN(CC[NH+]1CCCCC1)C(=O)NCc1cn(C)nc1Br ZINC000924566378 664658331 /nfs/dbraw/zinc/65/83/31/664658331.db2.gz CPUIJBAONQBZGV-UHFFFAOYSA-N 1 0 386.338 2.590 20 0 GFADRO CCN(CC)[C@@H](C[NH2+][C@@H](C)C1CCN(S(C)(=O)=O)CC1)c1ccsc1 ZINC000924658307 664659174 /nfs/dbraw/zinc/65/91/74/664659174.db2.gz KPBNVFNQASQQCT-YJBOKZPZSA-N 1 0 387.615 2.781 20 0 GFADRO C[C@H]([NH2+]Cc1ccc(F)cc1C(F)(F)F)C1CCN(S(C)(=O)=O)CC1 ZINC000924667084 664659364 /nfs/dbraw/zinc/65/93/64/664659364.db2.gz INMVMIUOTGSHQJ-NSHDSACASA-N 1 0 382.423 2.994 20 0 GFADRO COc1ccnc([C@@H](C)[NH2+]CCNC(=O)c2ccc(Br)cc2)c1 ZINC000924734081 664660418 /nfs/dbraw/zinc/66/04/18/664660418.db2.gz YAUKCTVHKMWRFN-GFCCVEGCSA-N 1 0 378.270 2.933 20 0 GFADRO C[C@@H]([NH2+]CCNS(=O)(=O)c1cccc(Cl)c1)c1ccnn1C1CCC1 ZINC000924831579 664662466 /nfs/dbraw/zinc/66/24/66/664662466.db2.gz HCAZDACJDMAIGC-CYBMUJFWSA-N 1 0 382.917 2.891 20 0 GFADRO C[NH+](C)Cc1ccc(NC(=O)[C@@H]2CCCS(=O)(=O)C2)cc1C(F)(F)F ZINC000924891383 664663760 /nfs/dbraw/zinc/66/37/60/664663760.db2.gz ZTULAXMYNDCKER-GFCCVEGCSA-N 1 0 378.416 2.530 20 0 GFADRO CCON1CCC([NH2+]CCCNC(=O)c2cccc(Br)c2)CC1 ZINC000924890839 664663787 /nfs/dbraw/zinc/66/37/87/664663787.db2.gz LOSPDKHHXYBMNN-UHFFFAOYSA-N 1 0 384.318 2.575 20 0 GFADRO C[C@H]([NH2+]CCOc1ccc(S(C)(=O)=O)cc1)c1cccc(Br)n1 ZINC000924986171 664664761 /nfs/dbraw/zinc/66/47/61/664664761.db2.gz LAKVUVIKECFCGW-LBPRGKRZSA-N 1 0 399.310 2.977 20 0 GFADRO C[C@@H]([NH2+][C@@H]1CCN(c2ccccc2C(N)=O)C1)c1cccc(Br)n1 ZINC000925039524 664665799 /nfs/dbraw/zinc/66/57/99/664665799.db2.gz OTYQUFRDMSXCDJ-CHWSQXEVSA-N 1 0 389.297 2.873 20 0 GFADRO O=C(N[C@@H]1CCC[N@@H+]2CCSC[C@H]12)N1CCSC[C@H]1c1nccs1 ZINC000925154812 664667524 /nfs/dbraw/zinc/66/75/24/664667524.db2.gz CFZXSGHGQOPDDB-MCIONIFRSA-N 1 0 384.596 2.522 20 0 GFADRO O=S(=O)(N1CCC([NH2+][C@H](c2ccccn2)C2CCC2)CC1)C(F)(F)F ZINC000925268016 664669581 /nfs/dbraw/zinc/66/95/81/664669581.db2.gz WTJYKKZEXGHRET-HNNXBMFYSA-N 1 0 377.432 2.826 20 0 GFADRO COc1ccc(C(=O)NCC[NH2+][C@H](C)c2cccc(Br)n2)cc1 ZINC000925317836 664670504 /nfs/dbraw/zinc/67/05/04/664670504.db2.gz CKMRQTOWRQQJQZ-GFCCVEGCSA-N 1 0 378.270 2.933 20 0 GFADRO O=C1[C@H]([NH2+][C@@H]2CCCc3ncc(Br)cc32)CCN1CC(F)(F)F ZINC000925390729 664671580 /nfs/dbraw/zinc/67/15/80/664671580.db2.gz SOGJPPPBFZIAPM-CHWSQXEVSA-N 1 0 392.219 2.974 20 0 GFADRO Cc1cc(NC(=O)NC[C@@H]2CC3(CC[NH2+]CC3)C(=O)O2)ccc1Br ZINC000925899876 664677109 /nfs/dbraw/zinc/67/71/09/664677109.db2.gz ZSMXLLMORXSJKC-ZDUSSCGKSA-N 1 0 396.285 2.564 20 0 GFADRO [NH3+]C[C@H]1CC2(CO1)CCN(C(=O)Nc1ccc(Br)cc1F)CC2 ZINC000925899892 664677110 /nfs/dbraw/zinc/67/71/10/664677110.db2.gz ZZXLGIIKLZLLRT-GFCCVEGCSA-N 1 0 386.265 2.950 20 0 GFADRO [NH3+]C[C@@H]1CC2(CO1)CCN(C(=O)Nc1ccc(Br)cc1F)CC2 ZINC000925899893 664677126 /nfs/dbraw/zinc/67/71/26/664677126.db2.gz ZZXLGIIKLZLLRT-LBPRGKRZSA-N 1 0 386.265 2.950 20 0 GFADRO O=C(Nc1ccc(N2CCSCC2)c(Cl)c1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000925996230 664678926 /nfs/dbraw/zinc/67/89/26/664678926.db2.gz ZHPMFNNBKJLYLP-UONOGXRCSA-N 1 0 380.945 2.966 20 0 GFADRO COC(=O)c1c(C)c(C)sc1NC(=O)N1CC[C@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000926005778 664679146 /nfs/dbraw/zinc/67/91/46/664679146.db2.gz XLYJSYHCSKBTBX-VHSXEESVSA-N 1 0 379.404 2.895 20 0 GFADRO COC(=O)c1cc(NC(=O)N2CC[C@@H](CC[NH3+])C2)cc(Br)c1F ZINC000926104690 664681798 /nfs/dbraw/zinc/68/17/98/664681798.db2.gz OCBXDHFVZAIURD-SECBINFHSA-N 1 0 388.237 2.577 20 0 GFADRO COC(=O)c1cc(F)c(Br)cc1NC(=O)NC[C@@H]1CC[C@H]([NH3+])C1 ZINC000926105482 664681858 /nfs/dbraw/zinc/68/18/58/664681858.db2.gz DWPADPONFHICOH-BDAKNGLRSA-N 1 0 388.237 2.624 20 0 GFADRO Cc1c(Br)nccc1NC(=O)N1CC[C@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000926128130 664682374 /nfs/dbraw/zinc/68/23/74/664682374.db2.gz XSJZJRPDPWBYAL-DTWKUNHWSA-N 1 0 381.196 2.896 20 0 GFADRO Cc1cc(Br)cn2cc(CC[NH2+][C@H](C)C[C@@H]3CCC(=O)N3)nc12 ZINC000926149481 664683084 /nfs/dbraw/zinc/68/30/84/664683084.db2.gz BOHDJLIGHBJJTC-OCCSQVGLSA-N 1 0 379.302 2.595 20 0 GFADRO [NH3+]C1CCN(C(=O)Nc2ccc(I)c(Cl)c2)CC1 ZINC000926221065 664684947 /nfs/dbraw/zinc/68/49/47/664684947.db2.gz YZZPYDRCFSJCLZ-UHFFFAOYSA-N 1 0 379.629 2.900 20 0 GFADRO C[N@@H+]1CC[C@](O)(CN[C@H](c2ccc(Br)cc2)c2cccnc2)C1 ZINC000926172260 664683945 /nfs/dbraw/zinc/68/39/45/664683945.db2.gz CJVMLNIGHOOMBS-MSOLQXFVSA-N 1 0 376.298 2.590 20 0 GFADRO Cc1cc(Br)ccc1C(=O)N[C@@H]1C[C@@]2(C[N@@H+](C)[C@@H]2C(C)C)C[C@H]1O ZINC000926177464 664684040 /nfs/dbraw/zinc/68/40/40/664684040.db2.gz LJUUHBYLTYDAAA-MTNOOBJLSA-N 1 0 395.341 2.967 20 0 GFADRO CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)c1ccc(F)cc1Br)C2 ZINC000926187299 664684477 /nfs/dbraw/zinc/68/44/77/664684477.db2.gz DDCNGNWLXYUCDV-KONPQCLYSA-N 1 0 399.304 2.798 20 0 GFADRO CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NC(=O)c3ccoc3Br)C2)[C@H]1C(C)C ZINC000926243021 664685105 /nfs/dbraw/zinc/68/51/05/664685105.db2.gz YWRWXUJXWWLPIR-VMUDFCTBSA-N 1 0 385.302 2.642 20 0 GFADRO CC[C@H](C[NH2+][C@@H](C)c1ccc(S(=O)(=O)CC(N)=O)cc1)CC(F)(F)F ZINC000926585930 664692905 /nfs/dbraw/zinc/69/29/05/664692905.db2.gz ANXDJWKDIVHPPM-RYUDHWBXSA-N 1 0 380.432 2.575 20 0 GFADRO CCO[C@H](CNC(=O)N(C)Cc1ccc(Br)c(F)c1)C[NH+](C)C ZINC000926841820 664697662 /nfs/dbraw/zinc/69/76/62/664697662.db2.gz MGPOYTMTDKSRHK-CYBMUJFWSA-N 1 0 390.297 2.696 20 0 GFADRO Brc1ccc([C@H]([NH2+]C[C@H]2C[C@@H]3COC[C@@H]3O2)c2cncnc2)cc1 ZINC000926948190 664699338 /nfs/dbraw/zinc/69/93/38/664699338.db2.gz MQEBUCRRWSRTKN-ZSGPHXLJSA-N 1 0 390.281 2.722 20 0 GFADRO CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]CC[C@H](N(C)C)C(F)(F)F)cc1 ZINC000926963615 664699528 /nfs/dbraw/zinc/69/95/28/664699528.db2.gz OBXFJNRIXYGHGC-DOMZBBRYSA-N 1 0 381.464 2.981 20 0 GFADRO Cn1cc(C[C@H]2CCC[C@@H]2[NH2+]CC2(n3cc(Br)cn3)CC2)cn1 ZINC000927006230 664702049 /nfs/dbraw/zinc/70/20/49/664702049.db2.gz QEQHMJUXNLTUTF-ZBFHGGJFSA-N 1 0 378.318 2.869 20 0 GFADRO Brc1cnn(C2(C[NH2+]C3CCN(c4ccccn4)CC3)CC2)c1 ZINC000927007996 664702166 /nfs/dbraw/zinc/70/21/66/664702166.db2.gz MNUGWLZIJBPXLF-UHFFFAOYSA-N 1 0 376.302 2.788 20 0 GFADRO C[C@H]([NH2+]CC1(n2cc(Br)cn2)CC1)c1ccc2c(c1)OCC(=O)N2 ZINC000927007027 664702177 /nfs/dbraw/zinc/70/21/77/664702177.db2.gz XZGVTOZSTOKTSD-NSHDSACASA-N 1 0 391.269 2.816 20 0 GFADRO C[C@H](CC(=O)N1CCCCCC1)[NH2+]CC1(n2cc(Br)cn2)CC1 ZINC000927009324 664702241 /nfs/dbraw/zinc/70/22/41/664702241.db2.gz ZLBYDGZGDCHDCD-CQSZACIVSA-N 1 0 383.334 2.906 20 0 GFADRO C[C@@H]([NH2+]C[C@H](O)CS(C)(=O)=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000927025693 664702398 /nfs/dbraw/zinc/70/23/98/664702398.db2.gz GXFOGIRVJQKOIF-PELKAZGASA-N 1 0 393.349 2.780 20 0 GFADRO CS(=O)(=O)C[C@@H](O)C[NH2+][C@@H](c1ccc(Br)cc1Cl)C1CC1 ZINC000927027319 664702457 /nfs/dbraw/zinc/70/24/57/664702457.db2.gz TZJKWTHTTQVSQA-SMDDNHRTSA-N 1 0 396.734 2.549 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)C(=O)NCC2(n3cc(Br)cn3)CC2)[C@H](C)C1 ZINC000927107840 664703991 /nfs/dbraw/zinc/70/39/91/664703991.db2.gz LVRFKUNAJCCCIJ-HIFRSBDPSA-N 1 0 398.349 2.506 20 0 GFADRO Cn1cc(CNC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)c(Br)n1 ZINC000927629352 664712446 /nfs/dbraw/zinc/71/24/46/664712446.db2.gz IHLIGOUBIPDAAB-HNNXBMFYSA-N 1 0 391.313 2.711 20 0 GFADRO C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)C(=O)Nc1cc(Cl)ccc1C(F)(F)F ZINC000927818703 664716337 /nfs/dbraw/zinc/71/63/37/664716337.db2.gz LQWAQEAZWPJZTP-NXEZZACHSA-N 1 0 377.794 2.659 20 0 GFADRO C[C@@H]1CN(C(=O)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)C[C@H]1CC[NH3+] ZINC000927833901 664716475 /nfs/dbraw/zinc/71/64/75/664716475.db2.gz NOGNOTZGDWKDRN-NXEZZACHSA-N 1 0 377.794 2.741 20 0 GFADRO COc1c(Cl)cc(NC(=O)C(=O)N2CC[C@]3(C2)CCCC[NH2+]3)cc1Cl ZINC000927925569 664717854 /nfs/dbraw/zinc/71/78/54/664717854.db2.gz SRHDSRLUNFZFEF-KRWDZBQOSA-N 1 0 386.279 2.685 20 0 GFADRO Cc1cc(C(=O)N[C@H]2CCC[N@@H+]3CCSC[C@@H]23)c(C)n1CC(F)(F)F ZINC000928096122 664722755 /nfs/dbraw/zinc/72/27/55/664722755.db2.gz MDCJXMILPHYKQB-GJZGRUSLSA-N 1 0 375.460 2.977 20 0 GFADRO CC[NH+]1CCN(CCC(=O)N2CCC[C@H]2c2cncc(Br)c2)CC1 ZINC000928362690 664731222 /nfs/dbraw/zinc/73/12/22/664731222.db2.gz LGXNUQIZNYXOEW-KRWDZBQOSA-N 1 0 395.345 2.535 20 0 GFADRO C[C@@H]1[C@@H](NC(=O)CSc2nnc(-c3cccs3)n2C2CC2)CC[N@@H+]1C ZINC000928436767 664732523 /nfs/dbraw/zinc/73/25/23/664732523.db2.gz ALLNHYFNCPSZSK-YPMHNXCESA-N 1 0 377.539 2.642 20 0 GFADRO C[C@@H]1[C@@H](NC(=O)c2cnc3c(Cl)cc(Br)cc3c2O)CC[N@@H+]1C ZINC000928441817 664732598 /nfs/dbraw/zinc/73/25/98/664732598.db2.gz PJWMGSIKPLWFQJ-OQPBUACISA-N 1 0 398.688 2.766 20 0 GFADRO CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)COC1CC[NH+](C)CC1 ZINC000929317616 664750085 /nfs/dbraw/zinc/75/00/85/664750085.db2.gz SQOWSXUNZGCIKQ-UHFFFAOYSA-N 1 0 388.295 2.501 20 0 GFADRO COCCOCCOCC[N@H+](C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000929331762 664750353 /nfs/dbraw/zinc/75/03/53/664750353.db2.gz WBVQPQYVFDYCGC-IAGOWNOFSA-N 1 0 378.296 2.563 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)CCc1ccc(S(C)(=O)=O)cc1)c1cccs1 ZINC000929336718 664750492 /nfs/dbraw/zinc/75/04/92/664750492.db2.gz SIKGGCFWCLERCT-INIZCTEOSA-N 1 0 380.535 2.503 20 0 GFADRO COC(=O)c1cc(Br)c(CN2CC[C@@H](C[NH+](C)C)C2)cc1OC ZINC000929637512 664755450 /nfs/dbraw/zinc/75/54/50/664755450.db2.gz KFGVWPYWBNIQFS-LBPRGKRZSA-N 1 0 385.302 2.628 20 0 GFADRO CC[N@H+](C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C)[C@@H](C)CS(=O)(=O)CC ZINC000929641675 664755631 /nfs/dbraw/zinc/75/56/31/664755631.db2.gz TVVVTGCDMLFECE-OWCLPIDISA-N 1 0 376.563 2.635 20 0 GFADRO O[C@H](C[NH+]1CCC(c2cccc(Br)c2)CC1)C1(O)CCOCC1 ZINC000930315561 664766885 /nfs/dbraw/zinc/76/68/85/664766885.db2.gz PGGJJPBHQXMJSF-QGZVFWFLSA-N 1 0 384.314 2.531 20 0 GFADRO CC1(c2ccc(Br)cc2)CC[NH+](C[C@@H](O)C2(O)CCOCC2)CC1 ZINC000930320557 664767006 /nfs/dbraw/zinc/76/70/06/664767006.db2.gz ZCXSRCMCFNKYMU-QGZVFWFLSA-N 1 0 398.341 2.705 20 0 GFADRO Cc1nc(Br)ccc1NC(=O)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000930686584 664776197 /nfs/dbraw/zinc/77/61/97/664776197.db2.gz KQTZLOAYXOHBMW-STQMWFEESA-N 1 0 385.331 2.854 20 0 GFADRO CCO[C@@H](CNC(=O)Nc1cnc(Cl)c(Br)c1)C[NH+](C)C ZINC000930826801 664779210 /nfs/dbraw/zinc/77/92/10/664779210.db2.gz SEZDAJXSCZTNJI-JTQLQIEISA-N 1 0 379.686 2.586 20 0 GFADRO C[C@]12CC[N@H+](C[C@@H]3C[C@H]4COC[C@H]4O3)C[C@H]1C2(Br)Br ZINC000930926617 664781069 /nfs/dbraw/zinc/78/10/69/664781069.db2.gz ZFACELMNCYJHRV-YYHQMBLXSA-N 1 0 395.135 2.618 20 0 GFADRO C[C@]12CC[N@H+](CCO[C@@H]3CCOC3)C[C@H]1C2(Br)Br ZINC000930925843 664781084 /nfs/dbraw/zinc/78/10/84/664781084.db2.gz NNJDWBRGRDYHMU-UTUOFQBUSA-N 1 0 383.124 2.620 20 0 GFADRO CC(C)[N@@H+]1CC[C@H](CNC(=O)c2cc3cc(Br)cnc3n2C)C1 ZINC000930945513 664781640 /nfs/dbraw/zinc/78/16/40/664781640.db2.gz MTYDYCLXQKXTEV-GFCCVEGCSA-N 1 0 379.302 2.796 20 0 GFADRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)c2cc(Br)c3nccnc3c2)C1 ZINC000930946378 664781773 /nfs/dbraw/zinc/78/17/73/664781773.db2.gz XYJYVOYGHLKDDQ-LBPRGKRZSA-N 1 0 377.286 2.852 20 0 GFADRO CC(F)(F)CCC[NH+]1CCC(n2nncc2I)CC1 ZINC000931016125 664782932 /nfs/dbraw/zinc/78/29/32/664782932.db2.gz YRRWZMGCQZQCAC-UHFFFAOYSA-N 1 0 384.212 2.955 20 0 GFADRO CC[NH+](CC)C[C@@H]1CCN(C(=O)Nc2ccc(Cl)c(S(C)(=O)=O)c2)C1 ZINC000931041629 664783708 /nfs/dbraw/zinc/78/37/08/664783708.db2.gz IUJAGDMRPWFDHV-ZDUSSCGKSA-N 1 0 387.933 2.939 20 0 GFADRO C[C@H]1[C@H]([NH+](C)C)CCN1Cc1noc(Cc2ccc(Br)cc2)n1 ZINC000931041935 664783715 /nfs/dbraw/zinc/78/37/15/664783715.db2.gz JCTTXGSYULJJRD-SWLSCSKDSA-N 1 0 379.302 2.947 20 0 GFADRO COC(=O)c1cccc(NC(=O)N(C)[C@H]2CCC[N@H+](C)C2)c1Br ZINC000931087692 664785093 /nfs/dbraw/zinc/78/50/93/664785093.db2.gz QPVVPBDXTQSLJP-NSHDSACASA-N 1 0 384.274 2.794 20 0 GFADRO OC[C@]1([NH2+]Cc2noc3c2COCC3)CCc2cc(Br)ccc2C1 ZINC000931175161 664787488 /nfs/dbraw/zinc/78/74/88/664787488.db2.gz DZJPUJOZPFSCEB-SFHVURJKSA-N 1 0 393.281 2.519 20 0 GFADRO Cc1cc(C[NH2+][C@@]2(CO)CCc3cc(Br)ccc3C2)c(C)nn1 ZINC000931175055 664787534 /nfs/dbraw/zinc/78/75/34/664787534.db2.gz DCYIREVYQZADIK-SFHVURJKSA-N 1 0 376.298 2.866 20 0 GFADRO Cc1ccc(NC(=O)CN2C[C@@]3(C)C[NH+](C)C[C@]3(C)C2)c(Br)c1 ZINC000931312050 664791107 /nfs/dbraw/zinc/79/11/07/664791107.db2.gz UCWHYYCDGABWTM-QZTJIDSGSA-N 1 0 380.330 2.970 20 0 GFADRO C[NH+](C)CC1(O)CCN(Cc2nnc(-c3ccc(Cl)cc3Cl)o2)CC1 ZINC000931484321 664796190 /nfs/dbraw/zinc/79/61/90/664796190.db2.gz MXDIYBCYWWYGMF-UHFFFAOYSA-N 1 0 385.295 2.932 20 0 GFADRO Cn1nc(Br)cc1NC(=O)NC[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000931520564 664797386 /nfs/dbraw/zinc/79/73/86/664797386.db2.gz XFSIEIOJPSNQRW-KGLIPLIRSA-N 1 0 392.301 2.650 20 0 GFADRO O=C(C[C@H]1C(=O)Nc2c1cccc2Br)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000931651285 664801795 /nfs/dbraw/zinc/80/17/95/664801795.db2.gz OOIRMHLTHKQLPI-GXTWGEPZSA-N 1 0 392.297 2.572 20 0 GFADRO Cc1[nH]c(C2CCN(Cc3c(I)cnn3C)CC2)[nH+]c1C ZINC000931748397 664804227 /nfs/dbraw/zinc/80/42/27/664804227.db2.gz LIPYUAJWXFEETN-UHFFFAOYSA-N 1 0 399.280 2.744 20 0 GFADRO COC(=O)c1ccc(Br)c(CN2CC[C@@H](c3noc(C)n3)C2)c1 ZINC000931936744 664807445 /nfs/dbraw/zinc/80/74/45/664807445.db2.gz QOQXQPNSWJSBJQ-GFCCVEGCSA-N 1 0 380.242 2.917 20 0 GFADRO Brc1cc2c(cc1C[N@@H+]1CC[C@H](C3OCCO3)C1)OCCCO2 ZINC000932003542 664808551 /nfs/dbraw/zinc/80/85/51/664808551.db2.gz RLPWFANMXAZDRI-LBPRGKRZSA-N 1 0 384.270 2.805 20 0 GFADRO C[C@]1([C@H]2CCC[N@H+](C[C@H](O)c3ccc(Br)cc3)C2)COC(=O)N1 ZINC000932016656 664808933 /nfs/dbraw/zinc/80/89/33/664808933.db2.gz OEIHJLMDMWSYTC-JLJPHGGASA-N 1 0 383.286 2.693 20 0 GFADRO Cn1nc(C(F)(F)F)c(NC(=O)N[C@H]2CCC[N@@H+]3CCSC[C@@H]23)c1Cl ZINC000932089549 664809933 /nfs/dbraw/zinc/80/99/33/664809933.db2.gz SSVFRUULDUWKMV-IUCAKERBSA-N 1 0 397.854 2.794 20 0 GFADRO Cc1cc(C(=O)N(CC[NH+](C)C)Cc2ccccn2)cnc1Br ZINC000932212041 664813904 /nfs/dbraw/zinc/81/39/04/664813904.db2.gz WGVUVURLXHVPSE-UHFFFAOYSA-N 1 0 377.286 2.752 20 0 GFADRO C[NH+](C)C1CCN(C(=O)c2cc3ccc(Br)cc3c(=O)o2)CC1 ZINC000932362894 664820585 /nfs/dbraw/zinc/82/05/85/664820585.db2.gz VHYVANONKBPGOI-UHFFFAOYSA-N 1 0 379.254 2.722 20 0 GFADRO CN(C(=O)c1cc(=O)[nH]cc1Br)c1ccc(OCC[NH+](C)C)cc1 ZINC000932508303 664823470 /nfs/dbraw/zinc/82/34/70/664823470.db2.gz STVRUZUNSCHTPX-UHFFFAOYSA-N 1 0 394.269 2.767 20 0 GFADRO CN(C(=O)c1cc2ccc(Br)cc2c(=O)o1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000932547125 664825173 /nfs/dbraw/zinc/82/51/73/664825173.db2.gz CVEZHNQPXHTLQA-AWEZNQCLSA-N 1 0 391.265 2.864 20 0 GFADRO O=C1NCCC2(CC[NH+](C[C@@H](O)COc3ccc(Cl)cc3Cl)CC2)O1 ZINC000932767160 664835864 /nfs/dbraw/zinc/83/58/64/664835864.db2.gz LLCLJWNHRCQTGJ-CYBMUJFWSA-N 1 0 389.279 2.698 20 0 GFADRO O=C1NC[C@H](O)CC12CC[NH+](Cc1ccc(Cl)c(Br)c1)CC2 ZINC000932831016 664841304 /nfs/dbraw/zinc/84/13/04/664841304.db2.gz KSJYXISKHZPLSO-GFCCVEGCSA-N 1 0 387.705 2.566 20 0 GFADRO COc1ncc(NC(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c(C)c1Br ZINC000932941798 664843560 /nfs/dbraw/zinc/84/35/60/664843560.db2.gz NHHGWTSPVBKTMI-NWDGAFQWSA-N 1 0 383.290 2.909 20 0 GFADRO O=C(c1cc(Br)c2nccnc2c1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000933335721 664859930 /nfs/dbraw/zinc/85/99/30/664859930.db2.gz YCRCLPGETFASBP-ZDUSSCGKSA-N 1 0 389.297 2.950 20 0 GFADRO C[C@](CO)(Cc1ccc(Br)cc1)[NH2+]Cc1nccn1CC(F)F ZINC000933438007 664863966 /nfs/dbraw/zinc/86/39/66/664863966.db2.gz CBABQRDNVPOMEC-MRXNPFEDSA-N 1 0 388.256 2.994 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cnn3cccc(Br)c23)[C@H](C)C1 ZINC000933440085 664864459 /nfs/dbraw/zinc/86/44/59/664864459.db2.gz XTEYYPIPPVJHSI-DOMZBBRYSA-N 1 0 379.302 2.899 20 0 GFADRO C[C@@](CO)(Cc1ccc(Br)cc1)[NH2+]CCC(=O)Nc1cccnc1 ZINC000933442530 664864879 /nfs/dbraw/zinc/86/48/79/664864879.db2.gz SLJBFMPVFRYTQD-SFHVURJKSA-N 1 0 392.297 2.756 20 0 GFADRO C[N@@H+]1C[C@@H]2CN([C@H]3CCc4cc(Br)ccc4NC3=O)C[C@]2(C)C1 ZINC000933733338 664874819 /nfs/dbraw/zinc/87/48/19/664874819.db2.gz CKTPVVWPAVKOIA-SKDZVZGDSA-N 1 0 378.314 2.586 20 0 GFADRO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2nc(Br)c3ccccn32)C1 ZINC000933780492 664877846 /nfs/dbraw/zinc/87/78/46/664877846.db2.gz ZJGRCMNHNJTWAE-CYBMUJFWSA-N 1 0 379.302 2.901 20 0 GFADRO CC[NH+](CC)[C@H]1CCN(C(=O)c2cc3cc(Br)cnc3n2C)C1 ZINC000933793954 664878136 /nfs/dbraw/zinc/87/81/36/664878136.db2.gz IVEORISEKLXDNV-AWEZNQCLSA-N 1 0 379.302 2.892 20 0 GFADRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2cc3cc(Br)cnc3n2C)C1 ZINC000933799425 664878616 /nfs/dbraw/zinc/87/86/16/664878616.db2.gz XGMFHKVVDDDEMP-GFCCVEGCSA-N 1 0 379.302 2.750 20 0 GFADRO Cn1cc([C@H]2CSCCCN2CC(=O)NCc2ccc(Cl)cc2)cn1 ZINC000933987305 664885169 /nfs/dbraw/zinc/88/51/69/664885169.db2.gz YAOHVACHSQVCHM-QGZVFWFLSA-N 1 0 378.929 2.870 20 0 GFADRO C[C@@H](Cc1cccnc1)[NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000934229871 664892949 /nfs/dbraw/zinc/89/29/49/664892949.db2.gz FKWJXUQWXYBIOO-BLLLJJGKSA-N 1 0 383.261 2.944 20 0 GFADRO Cc1c(Br)cncc1NC(=O)NCCCC[N@@H+]1CCC[C@H]1CO ZINC000934251684 664894063 /nfs/dbraw/zinc/89/40/63/664894063.db2.gz FVMXOBBAVQRLFF-ZDUSSCGKSA-N 1 0 385.306 2.511 20 0 GFADRO OCC[N@@H+]1CCC[C@H]2[C@H]1CCN2Cc1nc2cc(Br)ccc2o1 ZINC000934268410 664896380 /nfs/dbraw/zinc/89/63/80/664896380.db2.gz JESWLYBMGXXHRA-LSDHHAIUSA-N 1 0 380.286 2.621 20 0 GFADRO C[C@@](CO)([NH2+]CCC(=O)Nc1cccnc1)c1cccc(Br)c1 ZINC000934497712 664909354 /nfs/dbraw/zinc/90/93/54/664909354.db2.gz ZRGBRPIAHMTURM-KRWDZBQOSA-N 1 0 378.270 2.670 20 0 GFADRO COCCN(CC[NH+](C)C)C(=O)NC1(C(F)(F)F)CCC(F)(F)CC1 ZINC000934553048 664911395 /nfs/dbraw/zinc/91/13/95/664911395.db2.gz XVUXZZILVYVYDF-UHFFFAOYSA-N 1 0 375.382 2.716 20 0 GFADRO CN(C)[S@](C)(=O)=NCC1CC[NH+](C[C@@H](O)c2ccc(Cl)c(F)c2)CC1 ZINC000934753411 664918961 /nfs/dbraw/zinc/91/89/61/664918961.db2.gz XJUQPXDCCDDMAT-CRICUBBOSA-N 1 0 391.940 2.799 20 0 GFADRO CC[N@@H+]1CCN(C(=O)c2cc3ccc(Br)cc3c(=O)o2)C[C@@H]1C ZINC000935070308 664937598 /nfs/dbraw/zinc/93/75/98/664937598.db2.gz BBDXWFLCTPOHJV-NSHDSACASA-N 1 0 379.254 2.722 20 0 GFADRO CC[N@@H+]1CCN(C(=O)c2cc3ccc(Br)cc3c(=O)o2)C[C@H]1C ZINC000935070307 664937644 /nfs/dbraw/zinc/93/76/44/664937644.db2.gz BBDXWFLCTPOHJV-LLVKDONJSA-N 1 0 379.254 2.722 20 0 GFADRO C[C@@H](NC(=O)c1cc(=O)n(C)cc1Br)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000935314331 664953117 /nfs/dbraw/zinc/95/31/17/664953117.db2.gz CYQUOGXFKGAGBS-OLZOCXBDSA-N 1 0 396.329 2.531 20 0 GFADRO Cc1cc(Br)cn2cc(CCNC(=O)CC[NH2+]C(C)(C)C)nc12 ZINC000935368874 664957011 /nfs/dbraw/zinc/95/70/11/664957011.db2.gz JDEZDGMVKLOTLX-UHFFFAOYSA-N 1 0 381.318 2.842 20 0 GFADRO CCN(C(=O)c1ncc(Br)cn1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000935391967 664958898 /nfs/dbraw/zinc/95/88/98/664958898.db2.gz PKFQXRARRLAMNS-MRXNPFEDSA-N 1 0 389.297 2.976 20 0 GFADRO Cc1cc(C(F)(F)C(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)cnc1Cl ZINC000935654812 664978532 /nfs/dbraw/zinc/97/85/32/664978532.db2.gz JDBQJUUUZWENMP-CYBMUJFWSA-N 1 0 375.847 2.752 20 0 GFADRO O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cc(=O)[nH]cc1Br ZINC000935734189 664985162 /nfs/dbraw/zinc/98/51/62/664985162.db2.gz YQILJNCCFDZZPQ-AWEZNQCLSA-N 1 0 390.281 2.802 20 0 GFADRO CN(Cc1cn(-c2cccc(Br)c2)nn1)C(=O)CC[NH2+]C(C)(C)C ZINC000935775352 664988117 /nfs/dbraw/zinc/98/81/17/664988117.db2.gz DOWSSYXSWSJMGS-UHFFFAOYSA-N 1 0 394.317 2.766 20 0 GFADRO CN(CCC[NH+]1CCCC1)C(=O)C[C@H]1C(=O)Nc2ccc(Br)cc21 ZINC000935797888 664989441 /nfs/dbraw/zinc/98/94/41/664989441.db2.gz KLFPLTYCSXLIQH-OAHLLOKOSA-N 1 0 394.313 2.819 20 0 GFADRO C[N@@H+]1CCN(C(=O)c2cc3ccc(Br)cc3c(=O)o2)CC1(C)C ZINC000935805686 664989938 /nfs/dbraw/zinc/98/99/38/664989938.db2.gz RIKQLVJOFUTMDK-UHFFFAOYSA-N 1 0 379.254 2.722 20 0 GFADRO CC[C@@H]1[C@@H](NC(=O)c2csc(Cl)c2)CCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000984868951 665018961 /nfs/dbraw/zinc/01/89/61/665018961.db2.gz LUNGDMNIJYOASL-REBRKWNGSA-N 1 0 383.945 2.851 20 0 GFADRO Cc1csc(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C3)c1Cl ZINC000996546605 665032598 /nfs/dbraw/zinc/03/25/98/665032598.db2.gz VQMSBFRSWPDNRL-MQYQWHSLSA-N 1 0 381.929 2.523 20 0 GFADRO C[N@H+](CC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1sccc1Cl)C2)C1CCC1 ZINC000997302992 665035308 /nfs/dbraw/zinc/03/53/08/665035308.db2.gz UWWNERMKDRWNLL-SNPRPXQTSA-N 1 0 381.929 2.748 20 0 GFADRO C[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccc(Cl)s1 ZINC000998077461 665038733 /nfs/dbraw/zinc/03/87/33/665038733.db2.gz UVBILAJFBRCKCU-ZOBORPQBSA-N 1 0 381.929 2.748 20 0 GFADRO C[N@@H+]1CC[C@H](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)c2ccsc2Cl)C1 ZINC000998633205 665040542 /nfs/dbraw/zinc/04/05/42/665040542.db2.gz VJTJWMSSSUHEOM-UXOAXIEHSA-N 1 0 381.929 2.605 20 0 GFADRO O=C(NCC1CC[NH+](CC[C@H]2CC2(Cl)Cl)CC1)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001001649685 665052143 /nfs/dbraw/zinc/05/21/43/665052143.db2.gz AIHMWIUCMXZHMQ-NEXGVSGLSA-N 1 0 387.351 2.822 20 0 GFADRO C[C@H]1CCC[N@@H+]1CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(Cl)cs1)C2 ZINC001002615569 665055904 /nfs/dbraw/zinc/05/59/04/665055904.db2.gz RSJWWXYPLBQIDU-MYPMTAMASA-N 1 0 381.929 2.748 20 0 GFADRO C[C@@H]1CC[N@H+](CC(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cscc2Cl)C3)C1 ZINC001003449270 665060675 /nfs/dbraw/zinc/06/06/75/665060675.db2.gz OZJAQETVSSVRGD-BHTHQVBYSA-N 1 0 381.929 2.605 20 0 GFADRO C[N@@H+]1CCCC[C@@H]1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cscc1Cl)C2 ZINC001003449528 665060927 /nfs/dbraw/zinc/06/09/27/665060927.db2.gz UCAFQLKSZHGGGN-BQDHKBFISA-N 1 0 381.929 2.748 20 0 GFADRO C[NH+]1CCC(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cscc2Cl)C3)CC1 ZINC001003449315 665060972 /nfs/dbraw/zinc/06/09/72/665060972.db2.gz QTSBYAKCDYLNQN-WQVCFCJDSA-N 1 0 381.929 2.605 20 0 GFADRO C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2ccsc2Cl)C1 ZINC001006289025 665069874 /nfs/dbraw/zinc/06/98/74/665069874.db2.gz PCOUAAIOVQOTNB-GBOPCIDUSA-N 1 0 381.929 2.605 20 0 GFADRO C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cscc1Cl ZINC001006281921 665069952 /nfs/dbraw/zinc/06/99/52/665069952.db2.gz WTEVHZXPUPWHIT-BHTHQVBYSA-N 1 0 381.929 2.748 20 0 GFADRO O=C([C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)N1CC[C@H]([NH2+]Cc2ccc(Br)cc2)C1 ZINC001019168593 665072878 /nfs/dbraw/zinc/07/28/78/665072878.db2.gz LPSNOLBCIBJTRP-RFSXOUPVSA-N 1 0 391.309 2.563 20 0 GFADRO O=C([C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)N1CC[C@H]([NH2+]Cc2ccccc2Br)C1 ZINC001019168826 665073047 /nfs/dbraw/zinc/07/30/47/665073047.db2.gz YKJNLJIHMUVDBR-GZHKEPGYSA-N 1 0 391.309 2.563 20 0 GFADRO COC[C@@H](C)NC(=S)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000138798388 677401023 /nfs/dbraw/zinc/40/10/23/677401023.db2.gz GNRUMRZEYNTYDE-CYBMUJFWSA-N 1 0 388.375 2.722 20 0 GFADRO CO[C@@H](c1ccc(Br)cc1)[C@H](C)[NH2+]C1CCS(=O)(=O)CC1 ZINC000463275201 677412719 /nfs/dbraw/zinc/41/27/19/677412719.db2.gz UPOYEGIBXLCLFC-XHDPSFHLSA-N 1 0 376.316 2.692 20 0 GFADRO C[NH+](C)CCn1cc(NC(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)cn1 ZINC000155217905 677403960 /nfs/dbraw/zinc/40/39/60/677403960.db2.gz UUFJQPKCZVSEIT-UHFFFAOYSA-N 1 0 397.233 2.759 20 0 GFADRO CC(C)(C)OC(=O)N1CCO[C@@H](C[NH2+]Cc2ccc(Br)o2)C1 ZINC000397436816 677411621 /nfs/dbraw/zinc/41/16/21/677411621.db2.gz CKKXODFYGGHFOE-LBPRGKRZSA-N 1 0 375.263 2.768 20 0 GFADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NS(=O)(=O)c1cnc(Cl)c(F)c1 ZINC000390007064 677673037 /nfs/dbraw/zinc/67/30/37/677673037.db2.gz XEHDWIRUCDOKQR-MLGOLLRUSA-N 1 0 383.876 2.673 20 0 GFADRO C[NH+](C)C1CCC(NC(=O)c2cc(=O)c3cc(Br)ccc3[nH]2)CC1 ZINC000579580101 677673451 /nfs/dbraw/zinc/67/34/51/677673451.db2.gz BRSYSZIRGOQIHM-UHFFFAOYSA-N 1 0 392.297 2.893 20 0 GFADRO Cn1cc(Br)cc1-c1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1C ZINC000580158097 677673810 /nfs/dbraw/zinc/67/38/10/677673810.db2.gz CEXVSZUIIFBOGQ-UHFFFAOYSA-N 1 0 395.349 2.894 20 0 GFADRO Clc1ncc(N2CCN3CC[NH2+]C[C@H]3C2)c(Oc2ccccc2Cl)n1 ZINC001164400179 718843550 /nfs/dbraw/zinc/84/35/50/718843550.db2.gz RTQQYSARBUMROG-LBPRGKRZSA-N 1 0 380.279 2.670 20 0 GFADRO FC(F)(c1cc(Cl)nc(-c2ccccn2)n1)N1CCO[C@@H]2C[NH2+]CC[C@H]2C1 ZINC001164409483 718864576 /nfs/dbraw/zinc/86/45/76/718864576.db2.gz QUQAWHZGNWLXFV-GXTWGEPZSA-N 1 0 395.841 2.552 20 0 GFADRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(F)(F)c1cc(Cl)cnc1Cl ZINC001164613951 719012945 /nfs/dbraw/zinc/01/29/45/719012945.db2.gz AOTMFQJBZUXVID-KPXOXKRLSA-N 1 0 380.222 2.663 20 0 GFADRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@@H]2N1C(F)(F)c1ccnc(Cl)c1Cl ZINC001164617115 719013291 /nfs/dbraw/zinc/01/32/91/719013291.db2.gz MIDGEXFJIIBVLX-LSJOCFKGSA-N 1 0 380.222 2.663 20 0 GFADRO CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@H]2N1C(F)(F)Oc1cc(Cl)nc(Cl)c1 ZINC001164615578 719018888 /nfs/dbraw/zinc/01/88/88/719018888.db2.gz IWHDWJPLUDCQRG-DVVUODLYSA-N 1 0 396.221 2.543 20 0 GFADRO CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@@H]2N1C(F)(F)Sc1ccc(Cl)nc1 ZINC001164618884 719019168 /nfs/dbraw/zinc/01/91/68/719019168.db2.gz ULWOVNBJCBEYPX-USWWRNFRSA-N 1 0 377.844 2.603 20 0 GFADRO CCOC(=O)C1CC[NH+](C2CCN(c3cc(Cl)nc(OCC)n3)CC2)CC1 ZINC001164614716 719024512 /nfs/dbraw/zinc/02/45/12/719024512.db2.gz XEMJGAVNZZRVLH-UHFFFAOYSA-N 1 0 396.919 2.773 20 0 GFADRO COC(=O)c1ccc(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)nc1OC ZINC001164626576 719061373 /nfs/dbraw/zinc/06/13/73/719061373.db2.gz OQYUIQAJLBDFNM-HKUYNNGSSA-N 1 0 381.476 2.978 20 0 GFADRO COC(OC)c1c(CO)ccnc1N1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001164624219 719089741 /nfs/dbraw/zinc/08/97/41/719089741.db2.gz DMNYDWAILRIUKV-QUCCMNQESA-N 1 0 397.519 2.966 20 0 GFADRO COC(=O)c1cnc(Cl)cc1C(F)(F)N1C[C@H](CF)[C@@H](C2([NH3+])CC2)C1 ZINC001164624191 719121516 /nfs/dbraw/zinc/12/15/16/719121516.db2.gz UQHVTNMDXRHYBQ-CABZTGNLSA-N 1 0 377.794 2.580 20 0 GFADRO COc1ccc(-c2cc(-n3nc(CN(C)C(C)C)c4c3C[NH2+]CC4)ncn2)cc1 ZINC001164679774 719643374 /nfs/dbraw/zinc/64/33/74/719643374.db2.gz MRKJYUXBGNLIRC-UHFFFAOYSA-N 1 0 392.507 2.824 20 0 GFADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1cc(Cl)nnc1-c1ccccc1)CC2 ZINC001164687286 719720584 /nfs/dbraw/zinc/72/05/84/719720584.db2.gz VRZHGNYIDZWPHV-UHFFFAOYSA-N 1 0 399.926 2.978 20 0 GFADRO Cn1ccc2c1ncnc2N1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001164695037 719888407 /nfs/dbraw/zinc/88/84/07/719888407.db2.gz JMTZSEBDAQAQJA-UHFFFAOYSA-N 1 0 383.521 2.901 20 0 GFADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3COC[C@]3(c3nc(C)no3)C2)nc1 ZINC001164799655 720062193 /nfs/dbraw/zinc/06/21/93/720062193.db2.gz BGZHRHLGMTXBDN-DBXWQHBBSA-N 1 0 383.496 2.724 20 0 GFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(Cl)nc3cc[nH]c31)C2 ZINC001164809237 720067047 /nfs/dbraw/zinc/06/70/47/720067047.db2.gz IZIVKKOBITXJNF-KUHUBIRLSA-N 1 0 375.904 2.796 20 0 GFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(Cl)nc3cc[nH]c31)C2 ZINC001164809240 720067068 /nfs/dbraw/zinc/06/70/68/720067068.db2.gz IZIVKKOBITXJNF-LIRRHRJNSA-N 1 0 375.904 2.796 20 0 GFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(Cl)ccc1C(=O)OC)C2 ZINC001164814809 720070780 /nfs/dbraw/zinc/07/07/80/720070780.db2.gz WVNPSYRKGFAGRO-MGPUTAFESA-N 1 0 393.915 2.706 20 0 GFADRO CCOc1cncc(N2CCC3(C[C@@H](COC)[N@H+](Cc4ccccn4)C3)CC2)n1 ZINC001164709671 720094584 /nfs/dbraw/zinc/09/45/84/720094584.db2.gz CDDMSDBNCQTNFV-IBGZPJMESA-N 1 0 397.523 2.778 20 0 GFADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncnc3c1CCC3)CC2 ZINC001164710048 720099693 /nfs/dbraw/zinc/09/96/93/720099693.db2.gz GEXFSHPEDSUIRL-LJQANCHMSA-N 1 0 393.535 2.868 20 0 GFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(C)cc(C)c1C(=O)OC)C2 ZINC001164811627 720111815 /nfs/dbraw/zinc/11/18/15/720111815.db2.gz NAGYNQAAFVGYAV-PGRDOPGGSA-N 1 0 387.524 2.670 20 0 GFADRO CCOC(=O)c1cc(C)cnc1N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COC ZINC001164807054 720117290 /nfs/dbraw/zinc/11/72/90/720117290.db2.gz AWRJLFXWXQPCHW-PGRDOPGGSA-N 1 0 387.524 2.751 20 0 GFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ccnc(-c3cccnc3)n1)C2 ZINC001164815878 720129326 /nfs/dbraw/zinc/12/93/26/720129326.db2.gz WSLLIMHDPRCXMT-KNQAVFIVSA-N 1 0 379.508 2.723 20 0 GFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1nccnc1Cl)C2 ZINC001164813650 720154620 /nfs/dbraw/zinc/15/46/20/720154620.db2.gz DBGVRTQGJCLTOB-PBHICJAKSA-N 1 0 386.874 2.860 20 0 GFADRO Cc1nc(N2CCCn3c(=O)cc(C[N@@H+](C)C(C)C)nc3C2)nc2ccccc12 ZINC001164813946 720220309 /nfs/dbraw/zinc/22/03/09/720220309.db2.gz PRRKZMQBXAIXHL-UHFFFAOYSA-N 1 0 392.507 2.745 20 0 GFADRO Cc1nc2ccsc2c(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164820609 720287727 /nfs/dbraw/zinc/28/77/27/720287727.db2.gz WOPDKAYVWNIDRU-ZWKOTPCHSA-N 1 0 399.564 2.911 20 0 GFADRO Cc1nc2ccsc2c(N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164820604 720287853 /nfs/dbraw/zinc/28/78/53/720287853.db2.gz WOPDKAYVWNIDRU-QZTJIDSGSA-N 1 0 399.564 2.911 20 0 GFADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2nnc(Cl)cc2Cl)CC1 ZINC001164819281 720295152 /nfs/dbraw/zinc/29/51/52/720295152.db2.gz DIPMSCFTYRSNKM-CABCVRRESA-N 1 0 398.338 2.695 20 0 GFADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2ncnc3cc(F)ccc32)CC1 ZINC001164819587 720299731 /nfs/dbraw/zinc/29/97/31/720299731.db2.gz DNGBVOBQKQIHIZ-WOJBJXKFSA-N 1 0 397.498 2.680 20 0 GFADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2ncnc3ccc(F)cc32)CC1 ZINC001164821950 720299773 /nfs/dbraw/zinc/29/97/73/720299773.db2.gz MAOUZFROVCLOMK-WOJBJXKFSA-N 1 0 397.498 2.680 20 0 GFADRO Cc1ccc2ncnc(N3CC[C@@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)c2c1 ZINC001164819636 720305101 /nfs/dbraw/zinc/30/51/01/720305101.db2.gz FKIHQAUMXYQPRM-LEWJYISDSA-N 1 0 393.535 2.850 20 0 GFADRO Cc1ccnc(N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c1Cl ZINC001164819577 720313359 /nfs/dbraw/zinc/31/33/59/720313359.db2.gz DKHJYILRXNMSDU-IAGOWNOFSA-N 1 0 376.932 2.955 20 0 GFADRO COc1cc(Cl)cc(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164823165 720315902 /nfs/dbraw/zinc/31/59/02/720315902.db2.gz PCCFFZKNAWQLNY-DLBZAZTESA-N 1 0 392.931 2.655 20 0 GFADRO COc1ccc(Cl)c(N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164828472 720319675 /nfs/dbraw/zinc/31/96/75/720319675.db2.gz JSEFIEBHASVCSU-SJORKVTESA-N 1 0 392.931 2.655 20 0 GFADRO CN(C)C(=O)COC[C@@H]1CC[C@H]2[C@H](CC[N@@H+]2C(C)(C)c2ccnc(Cl)c2)O1 ZINC001164724932 720325244 /nfs/dbraw/zinc/32/52/44/720325244.db2.gz LTLDHTVJNVQXOV-ULQDDVLXSA-N 1 0 395.931 2.697 20 0 GFADRO Cc1cc2ccncc2nc1N1CC[C@@H]2[C@@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164821571 720347879 /nfs/dbraw/zinc/34/78/79/720347879.db2.gz BFZSGLRAKJQURR-LEWJYISDSA-N 1 0 393.535 2.850 20 0 GFADRO COc1ccnc(Cl)c1N1CC[C@@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164822217 720348875 /nfs/dbraw/zinc/34/88/75/720348875.db2.gz CLXXCSQOCSKNLH-HZPDHXFCSA-N 1 0 392.931 2.655 20 0 GFADRO CCOC(=O)c1cc2ccc(N3CC[C@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)[nH]c-2n1 ZINC001164730881 720410240 /nfs/dbraw/zinc/41/02/40/720410240.db2.gz JHJRDLHCVCNUAB-RBUKOAKNSA-N 1 0 391.475 2.988 20 0 GFADRO COC(=O)c1cc2c[nH]c(N3CC[C@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)cc-2n1 ZINC001164726412 720420791 /nfs/dbraw/zinc/42/07/91/720420791.db2.gz BYCRQPTWTLTTLN-RBUKOAKNSA-N 1 0 377.448 2.598 20 0 GFADRO COCc1cc(N2Cc3nccn3C[C@H](C[NH+](C)C)C2)nc(-c2ccccc2)n1 ZINC001164731809 720507197 /nfs/dbraw/zinc/50/71/97/720507197.db2.gz QTBSJQWYIFEWGC-KRWDZBQOSA-N 1 0 392.507 2.685 20 0 GFADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3ncnc4cnccc43)CC[C@@H]21 ZINC001164835256 720518964 /nfs/dbraw/zinc/51/89/64/720518964.db2.gz JJPSNTNENHZZJW-ZWOKBUDYSA-N 1 0 377.496 2.599 20 0 GFADRO Cc1cc2c(ncnc2N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)[nH]1 ZINC001164834907 720526287 /nfs/dbraw/zinc/52/62/87/720526287.db2.gz IEGFYEOSTJFQIJ-JENIJYKNSA-N 1 0 379.512 2.841 20 0 GFADRO Cc1cc(OCc2ccccc2)nc(N2Cc3nccn3C[C@@H](C[NH+](C)C)C2)n1 ZINC001164735582 720531299 /nfs/dbraw/zinc/53/12/99/720531299.db2.gz PTMOKLMEIAGUIH-LJQANCHMSA-N 1 0 392.507 2.759 20 0 GFADRO Cc1cccc2c(C)cc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)nc12 ZINC001164742453 720624054 /nfs/dbraw/zinc/62/40/54/720624054.db2.gz NIWJVNUYDWTWFJ-ROUUACIJSA-N 1 0 375.476 2.984 20 0 GFADRO Cc1cccc2c1nc(Cl)nc2N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001164737625 720668394 /nfs/dbraw/zinc/66/83/94/720668394.db2.gz GPXNENLZTBSSIW-LSDHHAIUSA-N 1 0 396.882 2.724 20 0 GFADRO CC(C)(C)c1cc(Cl)nc(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)n1 ZINC001164740365 720744757 /nfs/dbraw/zinc/74/47/57/720744757.db2.gz KHGNTPLKLPWMCH-ZIAGYGMSSA-N 1 0 388.903 2.559 20 0 GFADRO Cc1nc(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)c(Cl)cc1Cl ZINC001164737781 720745498 /nfs/dbraw/zinc/74/54/98/720745498.db2.gz CRMFAXHUDZBEAK-STQMWFEESA-N 1 0 380.279 2.829 20 0 GFADRO c1cc2c(ccnc2N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)o1 ZINC001164742299 720809193 /nfs/dbraw/zinc/80/91/93/720809193.db2.gz CUBISSFFHHOBLA-YQVWRLOYSA-N 1 0 378.480 2.799 20 0 GFADRO c1cc2ccnc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c2o1 ZINC001164738746 720815042 /nfs/dbraw/zinc/81/50/42/720815042.db2.gz GEKZUFBNQASAOA-CEXWTWQISA-N 1 0 378.480 2.799 20 0 GFADRO c1ncn(C[C@H]2C[C@@H]3CN(c4nncc5ccccc54)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164737355 720819840 /nfs/dbraw/zinc/81/98/40/720819840.db2.gz AGNRAZIUOKUHHX-SFHLNBCPSA-N 1 0 389.507 2.601 20 0 GFADRO c1cc2nc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)ccc2o1 ZINC001164748969 720834120 /nfs/dbraw/zinc/83/41/20/720834120.db2.gz VFKYBOYMFGXISB-ZIFCJYIRSA-N 1 0 378.480 2.799 20 0 GFADRO COCC[N@@H+]1CCO[C@H]2CN(c3nc4ccc(C)cc4nc3Cl)CC[C@H]2C1 ZINC001164858344 720851756 /nfs/dbraw/zinc/85/17/56/720851756.db2.gz ZQIHYLHRSXPSPK-YJBOKZPZSA-N 1 0 390.915 2.765 20 0 GFADRO COCC[N@@H+]1CCO[C@@H]2CN(c3nc(C)nc4sc(C)c(C)c43)CC[C@@H]2C1 ZINC001164852733 720853369 /nfs/dbraw/zinc/85/33/69/720853369.db2.gz FOWNHNVWANSSKZ-IAGOWNOFSA-N 1 0 390.553 2.790 20 0 GFADRO COCC[N@@H+]1CCO[C@@H]2CN(C(F)(F)c3ccc(C)c(Cl)n3)CC[C@H]2C1 ZINC001164853042 720858376 /nfs/dbraw/zinc/85/83/76/720858376.db2.gz GFMOPWLZZZRSPP-LSDHHAIUSA-N 1 0 389.874 2.762 20 0 GFADRO COCC[N@@H+]1CCO[C@@H]2CN(c3nc(C)nc4c5ccccc5oc43)CC[C@@H]2C1 ZINC001164856049 720864173 /nfs/dbraw/zinc/86/41/73/720864173.db2.gz NZNAJLGNQTTZON-VQIMIIECSA-N 1 0 396.491 2.858 20 0 GFADRO COCC[N@@H+]1CCO[C@@H]2CN(c3nc(CC(C)C)nc(Cl)c3C)CC[C@@H]2C1 ZINC001164853859 720886823 /nfs/dbraw/zinc/88/68/23/720886823.db2.gz DCIWVQMQIMIDOR-IAGOWNOFSA-N 1 0 396.963 2.810 20 0 GFADRO COCC[N@@H+]1CCO[C@@H]2CN(c3nccc4cc(OC)c(F)cc43)CC[C@@H]2C1 ZINC001164858637 720888654 /nfs/dbraw/zinc/88/86/54/720888654.db2.gz LMRGTDRQRPHBCQ-OXQOHEQNSA-N 1 0 389.471 2.556 20 0 GFADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1ncccc1C(=O)N1CCCC1)[C@H]2C ZINC001164854562 720920235 /nfs/dbraw/zinc/92/02/35/720920235.db2.gz FXZOLVNNWSFPTN-KRWDZBQOSA-N 1 0 396.539 2.936 20 0 GFADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1ccc(CN3CCOCC3)cn1)[C@@H]2C ZINC001164857789 720926751 /nfs/dbraw/zinc/92/67/51/720926751.db2.gz MNIWXABLJKXVCD-GOSISDBHSA-N 1 0 398.555 2.532 20 0 GFADRO CC(C)[N@H+](C)Cc1cnc2n1CCN([C@@H](F)Oc1cncc(Cl)n1)[C@@H]2C ZINC001164864380 721015791 /nfs/dbraw/zinc/01/57/91/721015791.db2.gz XMFVYSSIERYCRK-SJKOYZFVSA-N 1 0 382.871 2.875 20 0 GFADRO CSc1nc(Cl)cc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164871971 721046822 /nfs/dbraw/zinc/04/68/22/721046822.db2.gz ZYUAUIUVRMSDLH-GJZGRUSLSA-N 1 0 391.928 2.727 20 0 GFADRO Fc1ccc2ncc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)nc2c1 ZINC001164862871 721078479 /nfs/dbraw/zinc/07/84/79/721078479.db2.gz BLEVICPAIYXVGL-MSOLQXFVSA-N 1 0 379.439 2.644 20 0 GFADRO COc1ccc2nc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)ncc2c1 ZINC001164865333 721095399 /nfs/dbraw/zinc/09/53/99/721095399.db2.gz KBYBCRODBONMDY-UYAOXDASSA-N 1 0 391.475 2.513 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN([C@@H](F)Oc4ccnc(Cl)c4)C[C@@H]3C2)cn1 ZINC001164772696 721100029 /nfs/dbraw/zinc/10/00/29/721100029.db2.gz VTDLHDYHEVZYSF-RVKKMQEKSA-N 1 0 379.867 2.554 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4nc(Cl)nc5c4CSC5)C[C@H]3C2)cn1 ZINC001164765777 721103484 /nfs/dbraw/zinc/10/34/84/721103484.db2.gz KJRATRQLDYBHHN-ZIAGYGMSSA-N 1 0 390.944 2.569 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4ccc(C(=O)OC(C)(C)C)cn4)C[C@@H]3C2)cn1 ZINC001164764762 721130084 /nfs/dbraw/zinc/13/00/84/721130084.db2.gz HWMZQBSZMIYSBV-MOPGFXCFSA-N 1 0 397.523 2.729 20 0 GFADRO COc1ccc2ccnc(N3C[C@@H]4CC[N@H+](Cc5cnn(C)c5)C[C@@H]4C3)c2c1 ZINC001164762024 721176777 /nfs/dbraw/zinc/17/67/77/721176777.db2.gz BXMWDERFIUCBPH-RBUKOAKNSA-N 1 0 377.492 2.935 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(C(F)(F)c4cnc(Cl)c(N)c4)C[C@H]3C2)cn1 ZINC001164766761 721188433 /nfs/dbraw/zinc/18/84/33/721188433.db2.gz JEBISBICOALNPG-ZIAGYGMSSA-N 1 0 396.873 2.554 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4cc(-c5ccc(F)cc5)ncn4)C[C@H]3C2)cn1 ZINC001164772381 721210372 /nfs/dbraw/zinc/21/03/72/721210372.db2.gz UGQFCALCCDMTFX-RTBURBONSA-N 1 0 392.482 2.975 20 0 GFADRO COc1cccc2c1ccnc2N1C[C@@H]2CC[N@H+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001164767017 721213584 /nfs/dbraw/zinc/21/35/84/721213584.db2.gz JYPWYBQSWHKUJB-ROUUACIJSA-N 1 0 377.492 2.935 20 0 GFADRO Cc1cnc(N2CC[C@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)c(Cl)c1 ZINC001164884406 721388095 /nfs/dbraw/zinc/38/80/95/721388095.db2.gz ARCMTJIYCYBPEG-XLIONFOSSA-N 1 0 378.948 2.809 20 0 GFADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4ncnc5ccc(F)cc54)C3)O2)CC1 ZINC001164893600 721388937 /nfs/dbraw/zinc/38/89/37/721388937.db2.gz VVPXYGBBTJEXLN-PGRDOPGGSA-N 1 0 399.514 2.534 20 0 GFADRO Cc1c[nH]c2nc(N3CC[C@@]4(C3)CCC[C@H](C[NH+]3CCN(C)CC3)O4)ccc12 ZINC001164888629 721398999 /nfs/dbraw/zinc/39/89/99/721398999.db2.gz KNFGGDHKEOOWDL-XMSQKQJNSA-N 1 0 383.540 2.637 20 0 GFADRO Cc1c[nH]c2nc(N3CC[C@@]4(C3)CCC[C@@H](C[NH+]3CCN(C)CC3)O4)ccc12 ZINC001164888627 721399348 /nfs/dbraw/zinc/39/93/48/721399348.db2.gz KNFGGDHKEOOWDL-PGRDOPGGSA-N 1 0 383.540 2.637 20 0 GFADRO CCCCc1cc(N2CC[C@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)ncn1 ZINC001164894963 721444210 /nfs/dbraw/zinc/44/42/10/721444210.db2.gz NVLCPBRKFHHPDD-UNMCSNQZSA-N 1 0 387.572 2.585 20 0 GFADRO Fc1cccnc1OC[C@]12COC[C@H]1CN(c1ccc(C[NH+]3CCCC3)cn1)C2 ZINC001164793344 721487452 /nfs/dbraw/zinc/48/74/52/721487452.db2.gz QPLLDHDLRZBOHQ-GCJKJVERSA-N 1 0 398.482 2.743 20 0 GFADRO Cc1nc(N(C)C)nc(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)n1 ZINC001164792268 721497169 /nfs/dbraw/zinc/49/71/69/721497169.db2.gz MBARCUFTHAFCKM-UHFFFAOYSA-N 1 0 381.528 2.522 20 0 GFADRO C[NH+](C)Cc1ccnc(N2CCC3(CCC(=O)N3Cc3ccncc3)CC2)c1 ZINC001164896268 721506881 /nfs/dbraw/zinc/50/68/81/721506881.db2.gz AGOLZGYUJGZSSX-UHFFFAOYSA-N 1 0 379.508 2.700 20 0 GFADRO COC(=O)c1c(C)cc(C)nc1N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164912322 721531997 /nfs/dbraw/zinc/53/19/97/721531997.db2.gz YVWHAJLIZSYAFC-MJGOQNOKSA-N 1 0 399.466 2.966 20 0 GFADRO Cc1nc2ccc(N3CC[N@@H+]4C[C@H](Oc5cccc(F)c5)C[C@@H]4C3)nc2n1C ZINC001164909307 721534131 /nfs/dbraw/zinc/53/41/31/721534131.db2.gz RGVFADJZBQUWFS-SJLPKXTDSA-N 1 0 381.455 2.758 20 0 GFADRO COc1cc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)nc(SC)n1 ZINC001164905243 721534158 /nfs/dbraw/zinc/53/41/58/721534158.db2.gz HESWQCIAGQDMMR-ZBFHGGJFSA-N 1 0 390.484 2.688 20 0 GFADRO CCOC(=O)Cc1ccc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)nc1 ZINC001164905265 721535011 /nfs/dbraw/zinc/53/50/11/721535011.db2.gz HZOKOEWJWFYLEL-ICSRJNTNSA-N 1 0 399.466 2.668 20 0 GFADRO COc1cnc2c(c1)ncnc2N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164902646 721548770 /nfs/dbraw/zinc/54/87/70/721548770.db2.gz ATKBNVVEQDOZGQ-QAPCUYQASA-N 1 0 395.438 2.514 20 0 GFADRO CC(=O)Nc1c(C)ccnc1N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164909766 721549336 /nfs/dbraw/zinc/54/93/36/721549336.db2.gz RVDUMQRZDFOPMM-HKUYNNGSSA-N 1 0 384.455 2.829 20 0 GFADRO CCCNC(=O)c1cccnc1N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164909292 721553698 /nfs/dbraw/zinc/55/36/98/721553698.db2.gz UGYBQFCJQFQFER-IEBWSBKVSA-N 1 0 398.482 2.702 20 0 GFADRO Fc1cccc(O[C@@H]2C[C@@H]3CN([C@H](F)Oc4cncc(Cl)n4)CC[N@@H+]3C2)c1 ZINC001164906483 721563134 /nfs/dbraw/zinc/56/31/34/721563134.db2.gz JOLABTYNYBRGQU-SIIHOXLZSA-N 1 0 396.825 2.739 20 0 GFADRO Fc1cccc(O[C@@H]2C[C@H]3CN([C@@H](F)Oc4cncc(Cl)n4)CC[N@@H+]3C2)c1 ZINC001164906477 721563329 /nfs/dbraw/zinc/56/33/29/721563329.db2.gz JOLABTYNYBRGQU-JCKWVBRZSA-N 1 0 396.825 2.739 20 0 GFADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)c(F)cc2N)[C@H]2CCCO[C@H]12 ZINC001164802997 721569943 /nfs/dbraw/zinc/56/99/43/721569943.db2.gz JCCROBSYIQHJLH-BBWFWOEESA-N 1 0 391.878 2.720 20 0 GFADRO CCc1c(Cl)ncnc1N1C[C@H]([N@H+](C)Cc2cccnc2)[C@H]2OCCC[C@H]21 ZINC001164804105 721582453 /nfs/dbraw/zinc/58/24/53/721582453.db2.gz IOSQMDJRAZAXIB-SQNIBIBYSA-N 1 0 387.915 2.956 20 0 GFADRO CC(C)N(C)Cc1nnc2n1CCCN(c1ncccc1C[NH+]1CCCC1)C2 ZINC001165011784 721721066 /nfs/dbraw/zinc/72/10/66/721721066.db2.gz UODGQVXZNDYYGV-UHFFFAOYSA-N 1 0 383.544 2.519 20 0 GFADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2nnc(Cl)c3c2CCCC3)CC1 ZINC001165011575 721736528 /nfs/dbraw/zinc/73/65/28/721736528.db2.gz RLHKDIXVCRWJLZ-UHFFFAOYSA-N 1 0 391.947 2.532 20 0 GFADRO CN(C)C(=O)c1ccc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)nc1 ZINC001165028922 721808896 /nfs/dbraw/zinc/80/88/96/721808896.db2.gz YCQQWTBOEPNSTE-TYPHKJRUSA-N 1 0 393.535 2.915 20 0 GFADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ncc4c(n3)CCCN4)C[C@H]21 ZINC001165027097 721812038 /nfs/dbraw/zinc/81/20/38/721812038.db2.gz SFBVCEKTUXSYFV-HGHGUNKESA-N 1 0 378.524 2.967 20 0 GFADRO c1ccc(COC[C@@]23COC[C@H]2CN(c2ccc(C[NH+]4CCCC4)cn2)C3)nc1 ZINC001164921751 721839818 /nfs/dbraw/zinc/83/98/18/721839818.db2.gz FRAKIYQHKSRZGW-NFBKMPQASA-N 1 0 394.519 2.742 20 0 GFADRO COc1ccc2nc(Cl)nc(N3CC[C@@H]4[C@@H]3CC[N@@H+]4CCN(C)C)c2c1 ZINC001164922884 721847460 /nfs/dbraw/zinc/84/74/60/721847460.db2.gz SBGAXDKTAUZKEB-SJORKVTESA-N 1 0 375.904 2.506 20 0 GFADRO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2c1nc(Cl)cc(Cc2ccccc2)n1 ZINC001164926021 721873835 /nfs/dbraw/zinc/87/38/35/721873835.db2.gz PXEWFJIERDFAQH-RBUKOAKNSA-N 1 0 385.943 2.935 20 0 GFADRO CN(C)CC[N@@H+]1CC[C@H]2[C@H]1CCN2c1ncnc2[nH]c3ccc(Cl)cc3c21 ZINC001164924366 721876253 /nfs/dbraw/zinc/87/62/53/721876253.db2.gz LCZNKGIHLZEQOU-SJORKVTESA-N 1 0 384.915 2.979 20 0 GFADRO CN(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2c1nc(-c2cccnc2)nc2ccccc21 ZINC001164932933 721878034 /nfs/dbraw/zinc/87/80/34/721878034.db2.gz KINSTESBYVFXOO-LEWJYISDSA-N 1 0 388.519 2.906 20 0 GFADRO CCOc1ccc(-c2ccc(N3CC[C@@H]4[C@H]3CCN4CC[NH+](C)C)nn2)cc1 ZINC001164935938 721883766 /nfs/dbraw/zinc/88/37/66/721883766.db2.gz YQDTYWOUCLRHJY-NHCUHLMSSA-N 1 0 381.524 2.757 20 0 GFADRO C[NH+](C)[C@H]1CCCN(c2ncccc2C(=O)NCCSCc2ccco2)C1 ZINC001165039513 721893119 /nfs/dbraw/zinc/89/31/19/721893119.db2.gz MXIVNQZQUBRUIB-INIZCTEOSA-N 1 0 388.537 2.868 20 0 GFADRO COC(=O)c1ccc(NC(=O)C(C)(C)C)c(N(C)CC2CC[NH+](C)CC2)n1 ZINC001165042020 721935606 /nfs/dbraw/zinc/93/56/06/721935606.db2.gz BLMMZUDVNUUBPW-UHFFFAOYSA-N 1 0 376.501 2.631 20 0 GFADRO COC(=O)/C=C/c1cc(C)cnc1N1CC[NH+](CCOc2ccccc2)CC1 ZINC001165045551 721958308 /nfs/dbraw/zinc/95/83/08/721958308.db2.gz YCZOCDFTKFKRLI-CMDGGOBGSA-N 1 0 381.476 2.777 20 0 GFADRO C[C@@H]1CCCN(C(=O)c2ccc(N3CC[NH+](CCc4ccccn4)CC3)nc2)C1 ZINC001165055199 722017192 /nfs/dbraw/zinc/01/71/92/722017192.db2.gz LSZVLUUZOCQISP-LJQANCHMSA-N 1 0 393.535 2.713 20 0 GFADRO COc1cc(Cl)nc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001164979750 722112237 /nfs/dbraw/zinc/11/22/37/722112237.db2.gz PRMJVSKRKUUILE-SJLPKXTDSA-N 1 0 388.899 2.866 20 0 GFADRO CC(C)Oc1cccc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164983082 722124936 /nfs/dbraw/zinc/12/49/36/722124936.db2.gz YAVDCBMWJZUHOU-UXHICEINSA-N 1 0 382.508 2.991 20 0 GFADRO Fc1ccc2nc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)ncc2c1 ZINC001164977953 722132847 /nfs/dbraw/zinc/13/28/47/722132847.db2.gz IUJDNNYNSDQARG-DYESRHJHSA-N 1 0 393.466 2.891 20 0 GFADRO c1nc2ccnc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)c2s1 ZINC001164978092 722133401 /nfs/dbraw/zinc/13/34/01/722133401.db2.gz JSZUSNNIUUOVBK-SJLPKXTDSA-N 1 0 381.505 2.814 20 0 GFADRO c1cncc(C[N@@H+]2CCO[C@@H]3CN(c4nccnc4OC4CCC4)CC[C@H]3C2)c1 ZINC001164976280 722151627 /nfs/dbraw/zinc/15/16/27/722151627.db2.gz WNDCEEXVRZFGTI-AZUAARDMSA-N 1 0 395.507 2.530 20 0 GFADRO C[NH+](C)CCOCc1ncn2c1CN(c1nc(Cl)nc3ccoc31)CCC2 ZINC001165000334 722251008 /nfs/dbraw/zinc/25/10/08/722251008.db2.gz OJCQECMIADYIPI-UHFFFAOYSA-N 1 0 390.875 2.561 20 0 GFADRO C[NH+](C)CCOCc1ncn2c1CN(c1ccc(-c3ccccc3)nn1)CCC2 ZINC001164999879 722251567 /nfs/dbraw/zinc/25/15/67/722251567.db2.gz ICWBOEGXLBIVGN-UHFFFAOYSA-N 1 0 392.507 2.829 20 0 GFADRO C[C@@H]1C[C@@H](CCNc2ncc(S(N)(=O)=O)s2)C[N@@H+]1Cc1ccccc1 ZINC000511596280 531794311 /nfs/dbraw/zinc/79/43/11/531794311.db2.gz IRKUUQJYUIKTLD-UKRRQHHQSA-N 1 0 380.539 2.503 20 0 GFADRO CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1C[C@H](O)c1cccc(Br)c1 ZINC000359898166 212123635 /nfs/dbraw/zinc/12/36/35/212123635.db2.gz MEDRFGOMEMWCJC-KSZLIROESA-N 1 0 381.314 2.958 20 0 GFADRO C[C@@H](Cc1nc(-c2ccccc2)no1)[NH2+][C@@H](C)c1ccc(-n2cnnn2)cc1 ZINC000359877758 212122088 /nfs/dbraw/zinc/12/20/88/212122088.db2.gz QHYKKSBBVWRSQV-GJZGRUSLSA-N 1 0 375.436 2.994 20 0 GFADRO CCN(CC)S(=O)(=O)c1ccc(C(=O)NCC[NH+](C(C)C)C(C)C)cc1 ZINC000007800577 221012099 /nfs/dbraw/zinc/01/20/99/221012099.db2.gz GTLPDSWEGXAPME-UHFFFAOYSA-N 1 0 383.558 2.566 20 0 GFADRO CCO[C@@H]1CN(Cc2cc(Cl)ccc2I)C[C@H]1C[NH3+] ZINC000405299210 563539021 /nfs/dbraw/zinc/53/90/21/563539021.db2.gz MMVWKXCQQKFEJJ-BXUZGUMPSA-N 1 0 394.684 2.740 20 0 GFADRO Cc1cc(S(=O)(=O)N2CCC3(CC[NH2+]C3)CC2)c(C)cc1Br ZINC000431019557 563551385 /nfs/dbraw/zinc/55/13/85/563551385.db2.gz QNHYMNDZQYGCGJ-UHFFFAOYSA-N 1 0 387.343 2.830 20 0 GFADRO C[NH+](C)[C@@]1(CNS(=O)(=O)c2c(Cl)cc(F)cc2Cl)CCSC1 ZINC000435444501 563652097 /nfs/dbraw/zinc/65/20/97/563652097.db2.gz YDYOAICLWCVZEP-CYBMUJFWSA-N 1 0 387.329 2.848 20 0 GFADRO O=C(c1ccccc1I)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000290248981 563702534 /nfs/dbraw/zinc/70/25/34/563702534.db2.gz WDTJMDPNVURIBC-CYBMUJFWSA-N 1 0 384.261 2.753 20 0 GFADRO C[C@@H]1C[C@@H](C)C[NH+](CC(=O)Nc2ccc(Cl)c(S(=O)(=O)N(C)C)c2)C1 ZINC000016475873 551111521 /nfs/dbraw/zinc/11/15/21/551111521.db2.gz RNVLUZIOGWUNRE-CHWSQXEVSA-N 1 0 387.933 2.507 20 0 GFADRO CC1(C)NC(=O)N(CC[N@H+](Cc2cccc(Br)c2)C2CC2)C1=O ZINC000026447110 551121352 /nfs/dbraw/zinc/12/13/52/551121352.db2.gz TXGDTUUZJNQVFX-UHFFFAOYSA-N 1 0 380.286 2.744 20 0 GFADRO O=C(CCNC(=O)c1ccsc1)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000027605548 551123305 /nfs/dbraw/zinc/12/33/05/551123305.db2.gz MXIZWKRQLKQBPW-OAHLLOKOSA-N 1 0 377.535 2.883 20 0 GFADRO C[C@H](NC(=O)c1cccs1)C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000032762326 551132054 /nfs/dbraw/zinc/13/20/54/551132054.db2.gz DXTNDSUUNDDLGN-UONOGXRCSA-N 1 0 377.535 2.881 20 0 GFADRO CC[NH+]1CCC(N(C)S(=O)(=O)c2ccc(F)cc2Br)CC1 ZINC000040446114 551134717 /nfs/dbraw/zinc/13/47/17/551134717.db2.gz PTPKNBVFJGXXOR-UHFFFAOYSA-N 1 0 379.295 2.693 20 0 GFADRO C[NH2+]CCC1CCN(S(=O)(=O)c2cc(Br)c(F)cc2F)CC1 ZINC000440839596 563751456 /nfs/dbraw/zinc/75/14/56/563751456.db2.gz CNEJJMYYUAPNPM-UHFFFAOYSA-N 1 0 397.285 2.738 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cnn(-c2ccc(Br)cc2)c1 ZINC000044285825 551143816 /nfs/dbraw/zinc/14/38/16/551143816.db2.gz YUJLHVVLSFPEGF-MRXNPFEDSA-N 1 0 377.286 2.849 20 0 GFADRO CCOC(=O)Cc1csc(NC(=O)NC[C@H](c2ccsc2)[NH+](C)C)n1 ZINC000045312316 551146863 /nfs/dbraw/zinc/14/68/63/551146863.db2.gz GDOUIOBQWPCKSA-CYBMUJFWSA-N 1 0 382.511 2.735 20 0 GFADRO O[C@@H](COc1ccc(Br)cc1)CN1CC[NH+](C2CCCC2)CC1 ZINC000045768470 551147999 /nfs/dbraw/zinc/14/79/99/551147999.db2.gz LCZYAJXKIIFGDR-QGZVFWFLSA-N 1 0 383.330 2.749 20 0 GFADRO O=C(c1cccc(I)c1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000048551271 551156969 /nfs/dbraw/zinc/15/69/69/551156969.db2.gz YQZVAKAAZBZBEO-HNNXBMFYSA-N 1 0 384.261 2.992 20 0 GFADRO CN1CCC([NH+]2CCC(NC(=O)c3cc(F)ccc3Br)CC2)CC1 ZINC000050801043 551161744 /nfs/dbraw/zinc/16/17/44/551161744.db2.gz RJMPVHPXXFOYSH-UHFFFAOYSA-N 1 0 398.320 2.877 20 0 GFADRO CCC[N@@H+]1CC[C@H](CNC(=O)NCCOc2cccc(Br)c2)C1 ZINC000054510731 551169541 /nfs/dbraw/zinc/16/95/41/551169541.db2.gz QTMDSIRYDBITPZ-CQSZACIVSA-N 1 0 384.318 2.859 20 0 GFADRO C[C@H](CNS(=O)(=O)c1ccc(F)cc1Br)C[NH+]1CCCCC1 ZINC000055281185 551172706 /nfs/dbraw/zinc/17/27/06/551172706.db2.gz RVYOPJTWKAAXHL-GFCCVEGCSA-N 1 0 393.322 2.989 20 0 GFADRO CC[NH+](CC)CCNC(=O)NC[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000066341866 551186227 /nfs/dbraw/zinc/18/62/27/551186227.db2.gz KSSURWYBRDFWIO-HNNXBMFYSA-N 1 0 397.361 2.916 20 0 GFADRO CCC[N@@H+]1CC[C@H](CNC(=O)NCc2cc3c(c(Br)c2)OCO3)C1 ZINC000068310582 551191236 /nfs/dbraw/zinc/19/12/36/551191236.db2.gz GVFXBTVVCSMDIF-GFCCVEGCSA-N 1 0 398.301 2.709 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)c1[nH]nc(C2CC2)c1Br)Cc1ccccc1 ZINC000068436941 551191898 /nfs/dbraw/zinc/19/18/98/551191898.db2.gz VEQCHMYZGWXUDD-AWEZNQCLSA-N 1 0 391.313 2.952 20 0 GFADRO CC[NH+]1CCN([C@@H]2CCN(CCOc3ccccc3Br)C2)CC1 ZINC000093790950 551195911 /nfs/dbraw/zinc/19/59/11/551195911.db2.gz ZPNGOSYPFMIMHB-MRXNPFEDSA-N 1 0 382.346 2.540 20 0 GFADRO CC[N@@H+]1CCCC[C@H]1CNC(=O)c1cc(=O)c2cc(Br)ccc2[nH]1 ZINC000112638438 551206840 /nfs/dbraw/zinc/20/68/40/551206840.db2.gz NAJJVBPODPEBOS-ZDUSSCGKSA-N 1 0 392.297 2.895 20 0 GFADRO CC(=O)N[C@@H](C)C(=O)N(CC[NH+]1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC000112821100 551207216 /nfs/dbraw/zinc/20/72/16/551207216.db2.gz GPDFXUUBATTYCD-ZDUSSCGKSA-N 1 0 386.323 2.942 20 0 GFADRO CN(C)CC[NH+]1CCC(CNC(=O)c2ccc(F)cc2Br)CC1 ZINC000114142492 551209074 /nfs/dbraw/zinc/20/90/74/551209074.db2.gz DCKYLKYLVXDWHT-UHFFFAOYSA-N 1 0 386.309 2.592 20 0 GFADRO CC(C)[C@H](CNS(=O)(=O)c1cc(Cl)cc(Cl)c1)N1CC[NH+](C)CC1 ZINC000119479660 551216696 /nfs/dbraw/zinc/21/66/96/551216696.db2.gz QOXXXJXYLPECEH-INIZCTEOSA-N 1 0 394.368 2.544 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000120354070 551220252 /nfs/dbraw/zinc/22/02/52/551220252.db2.gz RAIQOFLHCVPERJ-CZUORRHYSA-N 1 0 394.313 2.639 20 0 GFADRO C[C@@H](CO)C[NH+]1CCC(Oc2ccccc2I)CC1 ZINC000121158355 551228114 /nfs/dbraw/zinc/22/81/14/551228114.db2.gz NMXKLJVMCKETKO-GFCCVEGCSA-N 1 0 375.250 2.763 20 0 GFADRO C[C@H](CO)C[NH+]1CCC(Oc2ccccc2I)CC1 ZINC000121158207 551228349 /nfs/dbraw/zinc/22/83/49/551228349.db2.gz NMXKLJVMCKETKO-LBPRGKRZSA-N 1 0 375.250 2.763 20 0 GFADRO COC(=O)CCN1CCN(C(=O)Nc2ccc(Br)cc2)[C@H](C)C1 ZINC000121174485 551228631 /nfs/dbraw/zinc/22/86/31/551228631.db2.gz LQPYBCJOIMJNEW-GFCCVEGCSA-N 1 0 384.274 2.550 20 0 GFADRO CC(C)(Cc1ccc(Br)cc1)[NH2+]C[C@@H](O)COC[C@@H]1CCCO1 ZINC000121350157 551232565 /nfs/dbraw/zinc/23/25/65/551232565.db2.gz JLXIRRBTLKCRBR-SJORKVTESA-N 1 0 386.330 2.916 20 0 GFADRO COC(=O)c1sc2ccccc2c1S(=O)(=O)NCC1([NH3+])CCCCC1 ZINC000121931002 551292620 /nfs/dbraw/zinc/29/26/20/551292620.db2.gz LEUOGBONNYXETB-UHFFFAOYSA-N 1 0 382.507 2.628 20 0 GFADRO Cc1ccc(Br)c(NC(=O)C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)c1 ZINC000122070623 551294276 /nfs/dbraw/zinc/29/42/76/551294276.db2.gz QQXQNNUYYRPMCH-BBRMVZONSA-N 1 0 394.313 2.639 20 0 GFADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)CCc2ccccc2Br)CC1 ZINC000122250232 551295999 /nfs/dbraw/zinc/29/59/99/551295999.db2.gz OTROVLWCJAVBQM-INIZCTEOSA-N 1 0 396.373 2.772 20 0 GFADRO O=S(=O)(NCC[NH2+]Cc1cc(Br)cs1)c1cccs1 ZINC000122273183 551296438 /nfs/dbraw/zinc/29/64/38/551296438.db2.gz WGUZSUBXQGUSGA-UHFFFAOYSA-N 1 0 381.342 2.640 20 0 GFADRO Cc1sc(Br)cc1S(=O)(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000122271956 551296658 /nfs/dbraw/zinc/29/66/58/551296658.db2.gz FWJHISHXWYRFNT-SNVBAGLBSA-N 1 0 379.345 2.582 20 0 GFADRO COc1cc(Br)c(S(=O)(=O)N[C@@H]2CCCC[C@H]2[NH3+])cc1Cl ZINC000123294635 551304707 /nfs/dbraw/zinc/30/47/07/551304707.db2.gz RQBNXJZGPBDUHJ-GHMZBOCLSA-N 1 0 397.722 2.659 20 0 GFADRO C[NH+](C)CCOc1cc(CNC(=O)c2ccc(Br)cc2F)ccn1 ZINC000124166855 551311459 /nfs/dbraw/zinc/31/14/59/551311459.db2.gz NVSUOHYKZQYWCV-UHFFFAOYSA-N 1 0 396.260 2.854 20 0 GFADRO CCN(C1CCN(Cc2ccccc2OC(F)(F)F)CC1)S(C)(=O)=O ZINC000124222663 551312453 /nfs/dbraw/zinc/31/24/53/551312453.db2.gz JIXIDUIHUXPLHL-UHFFFAOYSA-N 1 0 380.432 2.831 20 0 GFADRO CC(=O)Nc1ccc(S(=O)(=O)N(CC[NH+](C)C)C2CCCC2)cc1Cl ZINC000124415282 551314117 /nfs/dbraw/zinc/31/41/17/551314117.db2.gz IDGGKYOCISGGDY-UHFFFAOYSA-N 1 0 387.933 2.793 20 0 GFADRO O=C([C@H]1COc2ccc(Br)cc21)N1CCN(c2cc[nH+]cc2)CC1 ZINC000124404768 551314395 /nfs/dbraw/zinc/31/43/95/551314395.db2.gz BHUGRXJEYJYYKC-INIZCTEOSA-N 1 0 388.265 2.669 20 0 GFADRO C[NH+](C)CCN(C1CCCC1)S(=O)(=O)c1cc2c(cc1Cl)OCCO2 ZINC000124403226 551314435 /nfs/dbraw/zinc/31/44/35/551314435.db2.gz LGEUOZOFXYTXMZ-UHFFFAOYSA-N 1 0 388.917 2.606 20 0 GFADRO CS(=O)(=O)c1csc(C(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)c1 ZINC000124894652 551318967 /nfs/dbraw/zinc/31/89/67/551318967.db2.gz UQADPUMEGYDFFS-OAHLLOKOSA-N 1 0 384.567 2.880 20 0 GFADRO COC[C@](C)(CCO)[NH2+]Cc1cn(-c2ccc(Br)cc2)nc1C ZINC000126388964 551329200 /nfs/dbraw/zinc/32/92/00/551329200.db2.gz RUGACXCTMYDQMI-KRWDZBQOSA-N 1 0 382.302 2.820 20 0 GFADRO C[C@H]1C[NH2+]CCN1C(=O)c1cccc(NC(=O)c2ccc(Br)o2)c1 ZINC000126441832 551330491 /nfs/dbraw/zinc/33/04/91/551330491.db2.gz URUWRCQMALXUSY-NSHDSACASA-N 1 0 392.253 2.728 20 0 GFADRO O=C(Nc1ccc(Br)nc1)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000127240238 551338989 /nfs/dbraw/zinc/33/89/89/551338989.db2.gz SKJWMUVAWMAUJM-CABCVRRESA-N 1 0 397.317 2.734 20 0 GFADRO CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+]CC[S@@](=O)C(C)(C)C)cc1 ZINC000127297084 551339854 /nfs/dbraw/zinc/33/98/54/551339854.db2.gz CSSGJUGLZHMJJF-OWJWWREXSA-N 1 0 388.599 2.915 20 0 GFADRO Cc1cc(Br)cc(C(=O)N2CCN(C[C@H]3CCCC[N@H+]3C)CC2)c1 ZINC000127506026 551341430 /nfs/dbraw/zinc/34/14/30/551341430.db2.gz VGVGJRAMYORRGH-GOSISDBHSA-N 1 0 394.357 3.000 20 0 GFADRO CCN1CC[NH+](CCCCNC(=O)c2ccc(Br)c(F)c2)CC1 ZINC000127792967 551345109 /nfs/dbraw/zinc/34/51/09/551345109.db2.gz OHNZVKOTQDQJES-UHFFFAOYSA-N 1 0 386.309 2.736 20 0 GFADRO C[C@H]([NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1)c1ccc(Br)cc1F ZINC000128190183 551347043 /nfs/dbraw/zinc/34/70/43/551347043.db2.gz VVNSNNKHGHTYRE-QWRGUYRKSA-N 1 0 379.295 2.520 20 0 GFADRO O=C(CC[N@@H+]1CCS[C@@H]2COCC[C@@H]21)Nc1ccc(Br)cc1 ZINC000128326577 551348850 /nfs/dbraw/zinc/34/88/50/551348850.db2.gz WOUWHRVPNCQNKZ-LSDHHAIUSA-N 1 0 385.327 2.984 20 0 GFADRO COc1ccc(I)c(NC(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)c1 ZINC000415072162 563757565 /nfs/dbraw/zinc/75/75/65/563757565.db2.gz LPGVBAHISLWWAC-NXEZZACHSA-N 1 0 389.237 2.549 20 0 GFADRO C[NH+]1CCN(CCCSc2n[nH]c(COc3ccc(Cl)cc3)n2)CC1 ZINC000130032040 551361105 /nfs/dbraw/zinc/36/11/05/551361105.db2.gz YAEOPTJETABHFG-UHFFFAOYSA-N 1 0 381.933 2.767 20 0 GFADRO O=C(NC[C@@H]1CCC[NH2+]C1)[C@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1 ZINC000130115946 551362364 /nfs/dbraw/zinc/36/23/64/551362364.db2.gz CYDXDEUOXUTUCS-MLGOLLRUSA-N 1 0 384.307 2.714 20 0 GFADRO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)CSCc1cscn1 ZINC000131489514 551374290 /nfs/dbraw/zinc/37/42/90/551374290.db2.gz XETGZBJDFJCNOG-PBHICJAKSA-N 1 0 376.551 2.798 20 0 GFADRO Brc1ccc2ncc(CN3CCC(C[NH+]4CCOCC4)CC3)n2c1 ZINC000134066676 551384612 /nfs/dbraw/zinc/38/46/12/551384612.db2.gz BTYXUPDYQCBUGV-UHFFFAOYSA-N 1 0 393.329 2.641 20 0 GFADRO C[N@@H+]1CCC[C@@H]2CN([C@H](C(N)=O)c3ccc(Br)cc3F)CC[C@@H]21 ZINC000139994438 551392837 /nfs/dbraw/zinc/39/28/37/551392837.db2.gz HZJPJCWOPIOBAW-RLCCDNCMSA-N 1 0 384.293 2.531 20 0 GFADRO COCC[NH+]1CCC(NC(=O)[C@H](C)Oc2ccc(C)cc2Br)CC1 ZINC000141361979 551394542 /nfs/dbraw/zinc/39/45/42/551394542.db2.gz DGYCICMIUGGJDN-AWEZNQCLSA-N 1 0 399.329 2.752 20 0 GFADRO CC(=O)Nc1nc(C(=O)Nc2cccc(C[NH+]3CCSCC3)c2)cs1 ZINC000146025699 551397057 /nfs/dbraw/zinc/39/70/57/551397057.db2.gz BEFKLSQXGHILAQ-UHFFFAOYSA-N 1 0 376.507 2.903 20 0 GFADRO Cc1cc(S(=O)(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)sc1Br ZINC000150007683 551399619 /nfs/dbraw/zinc/39/96/19/551399619.db2.gz OGJABVWJGQPWLS-JTQLQIEISA-N 1 0 379.345 2.582 20 0 GFADRO COCCC[NH+]1CCC(NC(=O)c2c(F)cc(Br)cc2F)CC1 ZINC000150902821 551403483 /nfs/dbraw/zinc/40/34/83/551403483.db2.gz UDNGECKFAOESTL-UHFFFAOYSA-N 1 0 391.256 2.958 20 0 GFADRO C[NH2+][C@H]1CCCN(C(=O)C2(c3ccc(Br)cc3)CCOCC2)C1 ZINC000150993255 551405326 /nfs/dbraw/zinc/40/53/26/551405326.db2.gz GNERNBIAWJBMAA-INIZCTEOSA-N 1 0 381.314 2.708 20 0 GFADRO C[NH+]1CCC(CCNC(=O)c2ccc(F)c(I)c2)CC1 ZINC000151363667 551411741 /nfs/dbraw/zinc/41/17/41/551411741.db2.gz MPPVLTXEULACOX-UHFFFAOYSA-N 1 0 390.240 2.892 20 0 GFADRO C[C@H]1C[NH+](CC2CCN(C(=O)c3ccncc3Br)CC2)C[C@H](C)O1 ZINC000151689042 551419457 /nfs/dbraw/zinc/41/94/57/551419457.db2.gz NJJRHDWVTGXPEB-KBPBESRZSA-N 1 0 396.329 2.806 20 0 GFADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)Nc2cc(Cl)ccc2Cl)CC1 ZINC000152061421 551425896 /nfs/dbraw/zinc/42/58/96/551425896.db2.gz QBCMZIKQXDPUPE-OAHLLOKOSA-N 1 0 385.295 2.764 20 0 GFADRO Cc1ccc([C@H](C)[NH2+]Cc2ccc(S(=O)(=O)N3CCOCC3)s2)cc1 ZINC000152151163 551427740 /nfs/dbraw/zinc/42/77/40/551427740.db2.gz FBVAUIFRTBDVDG-HNNXBMFYSA-N 1 0 380.535 2.928 20 0 GFADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)c2cc(F)c(Cl)cc2Cl)CC1 ZINC000152839784 551441017 /nfs/dbraw/zinc/44/10/17/551441017.db2.gz DRSGTYHATFMOCH-OAHLLOKOSA-N 1 0 388.270 2.511 20 0 GFADRO Cc1cc(S(=O)(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)ccc1Br ZINC000152892086 551442377 /nfs/dbraw/zinc/44/23/77/551442377.db2.gz IFNFLYQRZFIQJO-CJNGLKHVSA-N 1 0 387.343 2.862 20 0 GFADRO Cc1cc(S(=O)(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)sc1Br ZINC000152912991 551442476 /nfs/dbraw/zinc/44/24/76/551442476.db2.gz MQFSUZQJKMECRG-RYUDHWBXSA-N 1 0 393.372 2.924 20 0 GFADRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)Nc1cc(C)ccc1Br ZINC000153148302 551447412 /nfs/dbraw/zinc/44/74/12/551447412.db2.gz ATGZUAMFUJWAAO-CYBMUJFWSA-N 1 0 382.302 2.687 20 0 GFADRO NC(=O)C1(C[NH2+][C@H]2CCCOc3cc(Br)ccc32)CCOCC1 ZINC000153199713 551447795 /nfs/dbraw/zinc/44/77/95/551447795.db2.gz ZVXLBQSXNIVIGY-AWEZNQCLSA-N 1 0 383.286 2.535 20 0 GFADRO Cc1nc(CSc2ccc(C(=O)NC[C@](C)(O)C[NH+](C)C)cc2)cs1 ZINC000153394461 551451589 /nfs/dbraw/zinc/45/15/89/551451589.db2.gz YCGQWBGGWZQKOR-SFHVURJKSA-N 1 0 379.551 2.786 20 0 GFADRO C[C@@H](Sc1ccnc2cc(Cl)ccc21)C(=O)NC[C@](C)(O)C[NH+](C)C ZINC000153491994 551453694 /nfs/dbraw/zinc/45/36/94/551453694.db2.gz FVLMHQCSDYBPJW-XIKOKIGWSA-N 1 0 381.929 2.798 20 0 GFADRO C[C@@H](Sc1ccnc2cc(Cl)ccc21)C(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000153492198 551453734 /nfs/dbraw/zinc/45/37/34/551453734.db2.gz FVLMHQCSDYBPJW-KZULUSFZSA-N 1 0 381.929 2.798 20 0 GFADRO Cc1c(C(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)cnn1-c1cccc(Br)c1 ZINC000153563015 551455642 /nfs/dbraw/zinc/45/56/42/551455642.db2.gz RUPLTOWDMKWBJN-TXEJJXNPSA-N 1 0 377.286 2.766 20 0 GFADRO CC1CC[NH+](C[C@H](O)CNC(=O)c2c[nH]c3cccc(Br)c23)CC1 ZINC000154510955 551477214 /nfs/dbraw/zinc/47/72/14/551477214.db2.gz UWQPQUJGHBMNGT-CYBMUJFWSA-N 1 0 394.313 2.753 20 0 GFADRO O=C(NCC1(c2cccc(Br)c2)CCOCC1)[C@H]1CCC[NH2+]C1 ZINC000154746664 551481661 /nfs/dbraw/zinc/48/16/61/551481661.db2.gz AIPOBVKHZAQDOV-AWEZNQCLSA-N 1 0 381.314 2.613 20 0 GFADRO CCN(CC)S(=O)(=O)CC[NH2+]C1CCN(Cc2ccccc2Cl)CC1 ZINC000154766746 551482196 /nfs/dbraw/zinc/48/21/96/551482196.db2.gz YAZYEMDHKTVJOL-UHFFFAOYSA-N 1 0 387.977 2.566 20 0 GFADRO C[NH+](C)CCN(C(=O)CNC(=O)c1ccc(Br)cc1)C1CCCC1 ZINC000154913965 551485904 /nfs/dbraw/zinc/48/59/04/551485904.db2.gz MRWIJQVQXQGXII-UHFFFAOYSA-N 1 0 396.329 2.512 20 0 GFADRO CC[N@@H+]1CCC[C@H](CNS(=O)(=O)c2cc(Br)sc2C)C1 ZINC000155015002 551488888 /nfs/dbraw/zinc/48/88/88/551488888.db2.gz PMXPGSXICHASNO-LLVKDONJSA-N 1 0 381.361 2.829 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)C(=O)CNC(=O)c2ccc(Cl)cc2Cl)[C@H](C)C1 ZINC000155039388 551489714 /nfs/dbraw/zinc/48/97/14/551489714.db2.gz BEUCXSUUVVPPBK-WBMJQRKESA-N 1 0 386.323 2.912 20 0 GFADRO C[N@@H+]1CCC[C@H]2CN(C(=O)COc3ccc(Br)cc3F)CC[C@@H]21 ZINC000155079364 551490766 /nfs/dbraw/zinc/49/07/66/551490766.db2.gz APUWLIVYXQSBJU-WFASDCNBSA-N 1 0 385.277 2.910 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)c1cncc(I)c1)c1ccccc1 ZINC000155389521 551499036 /nfs/dbraw/zinc/49/90/36/551499036.db2.gz OHMPWSXSKSKUOM-OAHLLOKOSA-N 1 0 395.244 2.719 20 0 GFADRO OC[C@H]1CCC[N@H+](CCCOc2cccc(I)c2)C1 ZINC000157154186 551533684 /nfs/dbraw/zinc/53/36/84/551533684.db2.gz AEHFEZGVVPXSEG-ZDUSSCGKSA-N 1 0 375.250 2.764 20 0 GFADRO C[N@H+](CC(=O)NCC1(c2ccccc2Cl)CCOCC1)[C@@H]1CCSC1 ZINC000155645134 551504776 /nfs/dbraw/zinc/50/47/76/551504776.db2.gz AAEILKWIQDWREA-OAHLLOKOSA-N 1 0 382.957 2.942 20 0 GFADRO Cc1c(I)cccc1C(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000155868140 551509647 /nfs/dbraw/zinc/50/96/47/551509647.db2.gz JGNLOAQXKZNYJY-CMPLNLGQSA-N 1 0 384.261 2.955 20 0 GFADRO CNS(=O)(=O)[C@H]1CCN([C@H](C)c2nc(C)c(-c3ccc(Cl)cc3)o2)C1 ZINC000156145325 551515233 /nfs/dbraw/zinc/51/52/33/551515233.db2.gz LQDFDPGBNSYUFZ-DOMZBBRYSA-N 1 0 383.901 2.988 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)c2ccc(S(=O)(=O)c3ccccc3)s2)C1 ZINC000156186847 551516440 /nfs/dbraw/zinc/51/64/40/551516440.db2.gz ARSUEQVCYUCOKN-UONOGXRCSA-N 1 0 378.519 2.780 20 0 GFADRO Cn1cc(NC(=O)NC[C@H](c2ccccc2)[NH+](C)C)cc(Br)c1=O ZINC000156261729 551518967 /nfs/dbraw/zinc/51/89/67/551518967.db2.gz SBQCLSJNBSVQOT-OAHLLOKOSA-N 1 0 393.285 2.572 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CC[NH2+]Cc1cnc2cnccn12 ZINC000156739746 551527322 /nfs/dbraw/zinc/52/73/22/551527322.db2.gz TXPOVUFMKCSPMR-UHFFFAOYSA-N 1 0 388.269 2.919 20 0 GFADRO C[C@@H]([NH2+]C[C@](C)(O)c1cccs1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000156933938 551530607 /nfs/dbraw/zinc/53/06/07/551530607.db2.gz AFSBZIIDLCYYFP-KDOFPFPSSA-N 1 0 380.535 2.846 20 0 GFADRO C[C@@H]1CCC[N@@H+]1CC(=O)N1CCN(Cc2ccc(Br)s2)CC1 ZINC000157082041 551532956 /nfs/dbraw/zinc/53/29/56/551532956.db2.gz CQQOJHZKUPAUPC-CYBMUJFWSA-N 1 0 386.359 2.639 20 0 GFADRO O=S(=O)(c1c(F)c(F)c(F)c(F)c1F)N1CCC([NH+]2CCCC2)CC1 ZINC000157268289 551535804 /nfs/dbraw/zinc/53/58/04/551535804.db2.gz BGEROZKKDATPFO-UHFFFAOYSA-N 1 0 384.370 2.631 20 0 GFADRO COc1ccc(Br)c(CC(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000157463503 551538302 /nfs/dbraw/zinc/53/83/02/551538302.db2.gz TXPBEUWRQOAEEZ-ZIAGYGMSSA-N 1 0 399.329 2.616 20 0 GFADRO CC(C)C[C@@](C)(C[NH3+])NC(=O)[C@@H]1CCN(c2ccccc2Br)C1=O ZINC000157509739 551538841 /nfs/dbraw/zinc/53/88/41/551538841.db2.gz KEXKXXDZZRCRJH-UGSOOPFHSA-N 1 0 396.329 2.682 20 0 GFADRO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)Nc1ccccc1Br ZINC000157604301 551539762 /nfs/dbraw/zinc/53/97/62/551539762.db2.gz AXPPRQUWVJWXIW-UHFFFAOYSA-N 1 0 383.334 2.939 20 0 GFADRO CC(C)OCC[NH+]1CCN(c2ccnc3cc(Br)cnc32)CC1 ZINC000157814691 551542674 /nfs/dbraw/zinc/54/26/74/551542674.db2.gz BNWRBGCACZBBPN-UHFFFAOYSA-N 1 0 379.302 2.939 20 0 GFADRO CC[C@H](Cc1ccccc1Br)C(=O)N[C@@H](C)[C@@H]1CN(C)CCO1 ZINC000157951868 551545100 /nfs/dbraw/zinc/54/51/00/551545100.db2.gz DVHHNYIRMAWPQQ-VBQJREDUSA-N 1 0 383.330 2.853 20 0 GFADRO [NH3+]C[C@H]1CCC[C@@H]1NC(=O)[C@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1 ZINC000157976610 551545734 /nfs/dbraw/zinc/54/57/34/551545734.db2.gz MHHMBTUAVAMEOR-UHOFOFEASA-N 1 0 384.307 2.842 20 0 GFADRO C[C@@H](Sc1cc(Cl)ccc1Cl)C(=O)NCCCN1CC[NH2+]CC1 ZINC000158809775 551557391 /nfs/dbraw/zinc/55/73/91/551557391.db2.gz JAPHLTKNGPVJCD-GFCCVEGCSA-N 1 0 376.353 2.886 20 0 GFADRO C[NH2+]C[C@H]1CCCN(C(=O)C2(c3ccc(Br)cc3)CCOCC2)C1 ZINC000159083756 551561004 /nfs/dbraw/zinc/56/10/04/551561004.db2.gz CIMPIZLHIDVVLM-OAHLLOKOSA-N 1 0 395.341 2.955 20 0 GFADRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)c2cc(Br)c3c(c2)OCCO3)C1 ZINC000161789871 551598538 /nfs/dbraw/zinc/59/85/38/551598538.db2.gz SSNGWSYDYDDJRZ-CYBMUJFWSA-N 1 0 397.313 2.928 20 0 GFADRO NC(=O)[C@@H]([NH2+]CCc1cnn(-c2ccccc2)c1)c1cccc(Br)c1 ZINC000161871344 551599786 /nfs/dbraw/zinc/59/97/86/551599786.db2.gz HHDLTLMUMMWEKH-SFHVURJKSA-N 1 0 399.292 2.994 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1cc(Br)c(C)cc1OC ZINC000162086834 551602957 /nfs/dbraw/zinc/60/29/57/551602957.db2.gz QYBCHAVIAYKCCK-GFCCVEGCSA-N 1 0 391.331 2.529 20 0 GFADRO C[C@@H]([NH2+]CCNS(=O)(=O)Cc1ccon1)c1cccc(Cl)c1Cl ZINC000162339219 551607153 /nfs/dbraw/zinc/60/71/53/551607153.db2.gz VZJFYBWSOGPUQO-SNVBAGLBSA-N 1 0 378.281 2.752 20 0 GFADRO CC[NH+](CC)[C@@H]1CCN(S(=O)(=O)c2cc(F)c(Br)cc2F)C1 ZINC000162842529 551613231 /nfs/dbraw/zinc/61/32/31/551613231.db2.gz LGDGIMFZJNDTJU-SNVBAGLBSA-N 1 0 397.285 2.832 20 0 GFADRO CC[S@@](=O)[C@H]1CCC[C@H]([NH2+][C@@H](C)c2ccc(S(C)(=O)=O)c(F)c2)C1 ZINC000162913724 551614182 /nfs/dbraw/zinc/61/41/82/551614182.db2.gz IEWSNMARFOIDHW-IMWCHCGLSA-N 1 0 375.531 2.960 20 0 GFADRO CC(C)N(CC[NH+](C)C)S(=O)(=O)c1cc(F)c(Br)cc1F ZINC000163071191 551615581 /nfs/dbraw/zinc/61/55/81/551615581.db2.gz LIGDETCPTXKUPF-UHFFFAOYSA-N 1 0 385.274 2.688 20 0 GFADRO O=C(Nc1cnn(-c2ccccc2Br)c1)N1CCN(C2CC2)CC1 ZINC000165044287 551628202 /nfs/dbraw/zinc/62/82/02/551628202.db2.gz INRWVSLABWPXOZ-UHFFFAOYSA-N 1 0 390.285 2.947 20 0 GFADRO CC[C@@H]([NH2+][C@H](C)c1ccc(OC)c(Br)c1)C(=O)N1CCOCC1 ZINC000165017319 551628304 /nfs/dbraw/zinc/62/83/04/551628304.db2.gz AFXRYQRPFWMMBQ-IUODEOHRSA-N 1 0 385.302 2.746 20 0 GFADRO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@@H](C)CO[C@@H]1CCOC1 ZINC000166385091 551631830 /nfs/dbraw/zinc/63/18/30/551631830.db2.gz BQSXIMNBDHFZFR-DVOMOZLQSA-N 1 0 385.302 2.950 20 0 GFADRO C[C@@H](NC(=O)CN1CC[NH+](CC(C)(C)O)CC1)c1ccc(Cl)cc1Cl ZINC000171155145 551648543 /nfs/dbraw/zinc/64/85/43/551648543.db2.gz DOMRXOCYMHDJHQ-CYBMUJFWSA-N 1 0 388.339 2.559 20 0 GFADRO COCC[N@H+](C)CCNC(=O)N1CCC[C@H]1c1cccc(Br)c1 ZINC000171211816 551649806 /nfs/dbraw/zinc/64/98/06/551649806.db2.gz FIJUDGRHQCIHIL-INIZCTEOSA-N 1 0 384.318 2.874 20 0 GFADRO Cc1c(Br)cccc1NC(=O)C(=O)NC[C@H](CC(C)C)[NH+](C)C ZINC000171222832 551650340 /nfs/dbraw/zinc/65/03/40/551650340.db2.gz VDTITBIZHGOSKV-ZDUSSCGKSA-N 1 0 384.318 2.789 20 0 GFADRO O=C(NC1CC[NH+](CC2CC2)CC1)c1csc(I)c1 ZINC000171595770 551658811 /nfs/dbraw/zinc/65/88/11/551658811.db2.gz AVWPBJPTKFMCQY-UHFFFAOYSA-N 1 0 390.290 2.957 20 0 GFADRO CC(C)[NH2+]C1CCN(C(=O)NCCOc2cccc(Br)c2)CC1 ZINC000171903731 551666247 /nfs/dbraw/zinc/66/62/47/551666247.db2.gz SNTIHQRKYAXINE-UHFFFAOYSA-N 1 0 384.318 3.000 20 0 GFADRO C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000171925693 551666980 /nfs/dbraw/zinc/66/69/80/551666980.db2.gz FSJYASXOYOZIJB-NXEZZACHSA-N 1 0 377.794 2.883 20 0 GFADRO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000172309538 551676176 /nfs/dbraw/zinc/67/61/76/551676176.db2.gz RMXMCDDXMULMHD-JTQLQIEISA-N 1 0 377.819 2.726 20 0 GFADRO C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)N1CCC[N@@H+](C2CC2)CC1 ZINC000172542195 551681290 /nfs/dbraw/zinc/68/12/90/551681290.db2.gz BCTAECFNCYCPSY-HNNXBMFYSA-N 1 0 394.357 2.966 20 0 GFADRO O=C(NCC[NH+]1CCCC1)C(=O)Nc1cccc(Cl)c1SCC(F)F ZINC000172569637 551681996 /nfs/dbraw/zinc/68/19/96/551681996.db2.gz DYYPDTNIZFTBBC-UHFFFAOYSA-N 1 0 391.871 2.848 20 0 GFADRO O=C(CN1CCC[N@@H+](C2CCCC2)CC1)Nc1ccc(Br)cn1 ZINC000172584577 551682539 /nfs/dbraw/zinc/68/25/39/551682539.db2.gz PPIARDKPAAWAIC-UHFFFAOYSA-N 1 0 381.318 2.733 20 0 GFADRO CCc1ccc([C@@H](CNC(=O)c2c[nH]c(=O)c(Br)c2)[NH+](C)C)cc1 ZINC000172981788 551691650 /nfs/dbraw/zinc/69/16/50/551691650.db2.gz AZELXDYNZPIHFX-MRXNPFEDSA-N 1 0 392.297 2.733 20 0 GFADRO COCCC[NH+]1CCC(NC(=O)COc2cc(Cl)cc(Cl)c2)CC1 ZINC000173002986 551692045 /nfs/dbraw/zinc/69/20/45/551692045.db2.gz TZMKJHSWWPRYIE-UHFFFAOYSA-N 1 0 375.296 2.989 20 0 GFADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H](C)c1ccc(Br)s1 ZINC000173074049 551694219 /nfs/dbraw/zinc/69/42/19/551694219.db2.gz RMMSHENCUAGFJC-RYUDHWBXSA-N 1 0 375.332 2.841 20 0 GFADRO Cc1cc(F)c(NC(=O)N[C@@H]2CCC[C@@H]2C[NH3+])c(I)c1 ZINC000415385485 563771963 /nfs/dbraw/zinc/77/19/63/563771963.db2.gz FCXYTURABCMOHP-BXKDBHETSA-N 1 0 391.228 2.988 20 0 GFADRO COc1cc(NC(=O)NC[C@@H](C)C[NH3+])c(Br)cc1Br ZINC000415592475 563785688 /nfs/dbraw/zinc/78/56/88/563785688.db2.gz TYQCEIIVMDZOIK-ZETCQYMHSA-N 1 0 395.095 2.937 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2ccc(Br)cc2)[C@H](C)C1 ZINC000173258037 552081223 /nfs/dbraw/zinc/08/12/23/552081223.db2.gz ILODDXHALHVUOH-DOMZBBRYSA-N 1 0 375.332 2.800 20 0 GFADRO O=C(Nc1cccc(Br)c1)C(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000173336701 552083340 /nfs/dbraw/zinc/08/33/40/552083340.db2.gz YXTGSKIXMWPSPJ-CQSZACIVSA-N 1 0 394.313 2.722 20 0 GFADRO Cc1cccc(CN(CC[NH+](C)C)C(=O)c2c[nH]c(=O)c(Br)c2)c1 ZINC000173517459 552087278 /nfs/dbraw/zinc/08/72/78/552087278.db2.gz PUQFEVVDXUHSSA-UHFFFAOYSA-N 1 0 392.297 2.650 20 0 GFADRO Cc1cc(Cl)cc(NC(=O)C(=O)N2CC[NH2+]C(C)(C)C2)c1Br ZINC000415825270 563798025 /nfs/dbraw/zinc/79/80/25/563798025.db2.gz YYNSKJNJRHFEQN-UHFFFAOYSA-N 1 0 388.693 2.560 20 0 GFADRO O=S(=O)(c1cccc(Br)c1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000173632539 552089449 /nfs/dbraw/zinc/08/94/49/552089449.db2.gz OQWBXHPJLJNZOD-AWEZNQCLSA-N 1 0 387.343 2.946 20 0 GFADRO C[C@H](c1ccc(Br)cc1)N1CC[NH+](CCCN2CCOCC2)CC1 ZINC000173854239 552094425 /nfs/dbraw/zinc/09/44/25/552094425.db2.gz JLGLZXQZANKUFR-QGZVFWFLSA-N 1 0 396.373 2.850 20 0 GFADRO O[C@@H](COc1c(Cl)cccc1Cl)C[N@@H+]1CCC[C@@H]1CN1CCOCC1 ZINC000174025349 552096695 /nfs/dbraw/zinc/09/66/95/552096695.db2.gz IJRZQUFPWUAIFO-HUUCEWRRSA-N 1 0 389.323 2.530 20 0 GFADRO CC[N@H+](C)C[C@H]1CCN(S(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)C1 ZINC000174025225 552097064 /nfs/dbraw/zinc/09/70/64/552097064.db2.gz ZBRWPXRFSAFHNM-LLVKDONJSA-N 1 0 382.860 2.904 20 0 GFADRO CC[N@H+](C)C[C@H]1CCN(S(=O)(=O)c2ccc(Br)c(F)c2)C1 ZINC000174028354 552097615 /nfs/dbraw/zinc/09/76/15/552097615.db2.gz VEHILKQCQRCNBS-LLVKDONJSA-N 1 0 379.295 2.551 20 0 GFADRO COCCOC[C@H]1CC[N@H+](C[C@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000174115183 552099505 /nfs/dbraw/zinc/09/95/05/552099505.db2.gz GKMFAVJEQQAEFP-KBPBESRZSA-N 1 0 378.296 2.718 20 0 GFADRO C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)Nc1ccc(F)c(Br)c1 ZINC000174636677 552107359 /nfs/dbraw/zinc/10/73/59/552107359.db2.gz SUHRBWFRVKSLSO-LLVKDONJSA-N 1 0 386.265 2.517 20 0 GFADRO Cc1ccc(NC(=O)NCCN2CCC([NH+](C)C)CC2)cc1Br ZINC000175155774 552116804 /nfs/dbraw/zinc/11/68/04/552116804.db2.gz UWHCDKNXIBRCJN-UHFFFAOYSA-N 1 0 383.334 2.905 20 0 GFADRO C[C@@H](C(=O)Nc1ccccc1Br)N1CC[NH+](C2CCOCC2)CC1 ZINC000175472286 552122539 /nfs/dbraw/zinc/12/25/39/552122539.db2.gz YYUJLLHNNFBAAE-AWEZNQCLSA-N 1 0 396.329 2.573 20 0 GFADRO C[C@H]1C[C@@H](NC(=O)NCC(=O)Nc2cc(Cl)ccc2Cl)C[N@@H+]1C1CC1 ZINC000175586110 552125823 /nfs/dbraw/zinc/12/58/23/552125823.db2.gz WGCCKSHTAFUZQE-CMPLNLGQSA-N 1 0 385.295 2.856 20 0 GFADRO C[C@@H](CNC(=O)N[C@@H](CC[NH3+])C(F)(F)F)Oc1cccc(Br)c1 ZINC000415991632 563801934 /nfs/dbraw/zinc/80/19/34/563801934.db2.gz AACHLJHGELWIIS-CABZTGNLSA-N 1 0 398.223 2.795 20 0 GFADRO O=C(NCCC[NH+]1CCCCC1)C(=O)Nc1nc(-c2cccs2)cs1 ZINC000175821934 552129983 /nfs/dbraw/zinc/12/99/83/552129983.db2.gz JHDDFKYKTXXDMO-UHFFFAOYSA-N 1 0 378.523 2.802 20 0 GFADRO C[C@@H](Oc1ccccc1Br)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000175858617 552130374 /nfs/dbraw/zinc/13/03/74/552130374.db2.gz CEOMWDRYMKMNOM-CQSZACIVSA-N 1 0 397.313 2.540 20 0 GFADRO CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2nc(-c3cccs3)cs2)C1 ZINC000175957928 552133150 /nfs/dbraw/zinc/13/31/50/552133150.db2.gz KGGMFBFJGZIDJX-GFCCVEGCSA-N 1 0 378.523 2.658 20 0 GFADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)CCc3ccc(Br)cc3)C2)CC1 ZINC000176325486 552138701 /nfs/dbraw/zinc/13/87/01/552138701.db2.gz VFSPWHJOKOGNAF-GOSISDBHSA-N 1 0 394.357 2.620 20 0 GFADRO Cc1cc(CCC(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)ccc1Br ZINC000176390923 552139999 /nfs/dbraw/zinc/13/99/99/552139999.db2.gz NZTYQSUEIMWZFP-QGZVFWFLSA-N 1 0 395.341 2.871 20 0 GFADRO CC(C)CC[NH+]1CCC(CNC(=O)c2c[nH]c(=O)c(Br)c2)CC1 ZINC000176544823 552140874 /nfs/dbraw/zinc/14/08/74/552140874.db2.gz VVYKQRCMFWBAMR-UHFFFAOYSA-N 1 0 384.318 2.625 20 0 GFADRO C[C@@H]1C[N@@H+](CCCCNC(=O)COc2ccc(Br)cc2)C[C@H](C)O1 ZINC000176687048 552144206 /nfs/dbraw/zinc/14/42/06/552144206.db2.gz SOALZQHSAXXABA-GASCZTMLSA-N 1 0 399.329 2.834 20 0 GFADRO C[C@H]1C[C@@H](NC(=O)c2ccc(F)cc2I)C[N@@H+]1C1CC1 ZINC000177207120 552151540 /nfs/dbraw/zinc/15/15/40/552151540.db2.gz OOARQWHVQNKKIM-GXSJLCMTSA-N 1 0 388.224 2.785 20 0 GFADRO C[C@H]1C[C@H](NC(=O)c2ccc(F)cc2I)C[N@@H+]1C1CC1 ZINC000177207090 552151592 /nfs/dbraw/zinc/15/15/92/552151592.db2.gz OOARQWHVQNKKIM-ONGXEEELSA-N 1 0 388.224 2.785 20 0 GFADRO NC(=O)NC(=O)CCC[NH+]1CCC(OCc2ccc(Cl)c(Cl)c2)CC1 ZINC000177716912 552157567 /nfs/dbraw/zinc/15/75/67/552157567.db2.gz RZQCXQCTKBNHQW-UHFFFAOYSA-N 1 0 388.295 2.950 20 0 GFADRO Cn1cc(Br)cc(NC(=O)NC2CC[NH+](C(C)(C)C)CC2)c1=O ZINC000177976145 552162220 /nfs/dbraw/zinc/16/22/20/552162220.db2.gz ZLPGLUZOEAHOJS-UHFFFAOYSA-N 1 0 385.306 2.532 20 0 GFADRO Cn1cc(Br)cc(NC(=O)NCc2ccc(C[NH+](C)C)cc2)c1=O ZINC000177981280 552162223 /nfs/dbraw/zinc/16/22/23/552162223.db2.gz XIOOSULVIMBCEF-UHFFFAOYSA-N 1 0 393.285 2.531 20 0 GFADRO Cc1ccc(NC(=O)C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)cc1Br ZINC000178023942 552162797 /nfs/dbraw/zinc/16/27/97/552162797.db2.gz JNLUQLSXXUVUPC-GXTWGEPZSA-N 1 0 382.302 2.685 20 0 GFADRO O=C(CCc1ccc(Br)cc1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000178112818 552164148 /nfs/dbraw/zinc/16/41/48/552164148.db2.gz ZOHZMMDXJOLKMD-INIZCTEOSA-N 1 0 381.314 2.562 20 0 GFADRO C[C@@H]([NH3+])c1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc(Cl)s2)cc1 ZINC000178206246 552166737 /nfs/dbraw/zinc/16/67/37/552166737.db2.gz VFKZCBRIHCZNDF-SNVBAGLBSA-N 1 0 387.914 2.680 20 0 GFADRO CC[NH+](CC)CCSCC(=O)N[C@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000178224023 552167460 /nfs/dbraw/zinc/16/74/60/552167460.db2.gz ZWTWHDRXDWWAEA-INIZCTEOSA-N 1 0 383.945 2.637 20 0 GFADRO CSCC[C@H]([NH3+])C(=O)Nc1nc(-c2ccc(CNC(C)=O)s2)c(C)s1 ZINC000178484623 552171198 /nfs/dbraw/zinc/17/11/98/552171198.db2.gz LIPGQTAAFYCNCM-LBPRGKRZSA-N 1 0 398.579 2.835 20 0 GFADRO Cc1cc(C)n2c(C[NH2+]CCS(=O)(=O)c3ccc(Cl)cc3)cnc2n1 ZINC000178884790 552178400 /nfs/dbraw/zinc/17/84/00/552178400.db2.gz HBUZBZGRLVCPQO-UHFFFAOYSA-N 1 0 378.885 2.563 20 0 GFADRO CCCN(C(=O)C[C@@H](NC(C)=O)c1ccc(Br)cc1)[C@@H]1CC[NH2+]C1 ZINC000178925688 552179210 /nfs/dbraw/zinc/17/92/10/552179210.db2.gz VWJZQELBMMHLLH-IAGOWNOFSA-N 1 0 396.329 2.617 20 0 GFADRO C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCCN2C(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000179013857 552182191 /nfs/dbraw/zinc/18/21/91/552182191.db2.gz KPONXXYPYBRZSI-LRDDRELGSA-N 1 0 384.307 2.666 20 0 GFADRO C[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCCN2C(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000179013890 552182335 /nfs/dbraw/zinc/18/23/35/552182335.db2.gz KPONXXYPYBRZSI-MLGOLLRUSA-N 1 0 384.307 2.666 20 0 GFADRO C[NH2+]C[C@H]1CCN(C(=O)Cc2csc(COc3ccc(Cl)cc3)n2)C1 ZINC000179022379 552182460 /nfs/dbraw/zinc/18/24/60/552182460.db2.gz UDHOHLVZIUCWBV-CYBMUJFWSA-N 1 0 379.913 2.986 20 0 GFADRO Cc1ccc(C(=O)N2CCN(C[C@H]3CCCC[N@H+]3C)CC2)c(Br)c1 ZINC000179058878 552183362 /nfs/dbraw/zinc/18/33/62/552183362.db2.gz AYERGQOPBKDMPJ-MRXNPFEDSA-N 1 0 394.357 3.000 20 0 GFADRO CC1(C)CN(CCNC(=O)Nc2cc(F)c(Br)cc2F)CCO1 ZINC000179218867 552187518 /nfs/dbraw/zinc/18/75/18/552187518.db2.gz CQEXPQJXIZUKCL-UHFFFAOYSA-N 1 0 392.244 2.960 20 0 GFADRO C[C@@H](Cc1ccc(Br)cc1)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000179257685 552188608 /nfs/dbraw/zinc/18/86/08/552188608.db2.gz AVFUWHHSBWYLDC-RDJZCZTQSA-N 1 0 395.341 2.808 20 0 GFADRO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000179435019 552193550 /nfs/dbraw/zinc/19/35/50/552193550.db2.gz JAZBJTLLPBRCSA-OCCSQVGLSA-N 1 0 377.286 2.721 20 0 GFADRO COCC[NH+]1CCN(Cc2ccc(OC(F)F)c(Br)c2)CC1 ZINC000179641556 552198947 /nfs/dbraw/zinc/19/89/47/552198947.db2.gz ATAAHMXMGWKZAW-UHFFFAOYSA-N 1 0 379.245 2.815 20 0 GFADRO CCc1nn(C)cc1CN1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000179916253 552207067 /nfs/dbraw/zinc/20/70/67/552207067.db2.gz KNDWLLXKOFDOBE-UHFFFAOYSA-N 1 0 391.313 2.703 20 0 GFADRO CCS(=O)(=O)N1CCC([NH2+][C@H]2CCc3c2cccc3Br)CC1 ZINC000180006350 552209870 /nfs/dbraw/zinc/20/98/70/552209870.db2.gz RTZORZGWRSETRJ-INIZCTEOSA-N 1 0 387.343 2.840 20 0 GFADRO CCc1nn(C)cc1C[NH2+]CCC(=O)N(C)Cc1ccccc1Br ZINC000180131515 552214217 /nfs/dbraw/zinc/21/42/17/552214217.db2.gz GSNFZHVRBZWLLQ-UHFFFAOYSA-N 1 0 393.329 2.883 20 0 GFADRO Cc1cc(Br)ccc1CC(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000180145591 552214907 /nfs/dbraw/zinc/21/49/07/552214907.db2.gz RUKSWQJHDJMZDD-HUUCEWRRSA-N 1 0 383.330 2.916 20 0 GFADRO C[C@H]([NH2+]CCOc1ncc(Cl)cc1Cl)c1ccc(S(N)(=O)=O)cc1 ZINC000180190892 552216989 /nfs/dbraw/zinc/21/69/89/552216989.db2.gz FJQFVOAYEASVHK-JTQLQIEISA-N 1 0 390.292 2.765 20 0 GFADRO COc1ccc([C@@H]([NH2+]C[C@@H](O)CS(=O)(=O)c2cccs2)C(C)C)cc1 ZINC000180201357 552217533 /nfs/dbraw/zinc/21/75/33/552217533.db2.gz QCZMHTAZKJLBCQ-QAPCUYQASA-N 1 0 383.535 2.878 20 0 GFADRO CSc1ccc(S(=O)(=O)NCC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000180200350 552217517 /nfs/dbraw/zinc/21/75/17/552217517.db2.gz WETJIFXPVWPSIB-UHFFFAOYSA-N 1 0 377.535 2.998 20 0 GFADRO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1c[nH]c2cccc(Br)c12 ZINC000180425281 552225883 /nfs/dbraw/zinc/22/58/83/552225883.db2.gz MKAFPOFKGOVXLE-LBPRGKRZSA-N 1 0 380.286 2.507 20 0 GFADRO O=C(NCc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1occc1Br ZINC000180482494 552227672 /nfs/dbraw/zinc/22/76/72/552227672.db2.gz SHXUNQLMGKLIQI-OAHLLOKOSA-N 1 0 393.281 2.929 20 0 GFADRO Cc1cc(Br)ccc1CC(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000180533645 552228974 /nfs/dbraw/zinc/22/89/74/552228974.db2.gz ABCQPLBSPPUJTH-UHFFFAOYSA-N 1 0 395.341 2.871 20 0 GFADRO Cc1ccc(C[N@@H+](C)C2CCN(S(C)(=O)=O)CC2)c(Br)c1 ZINC000180629539 552231817 /nfs/dbraw/zinc/23/18/17/552231817.db2.gz TVKLAUUYAWSPTB-UHFFFAOYSA-N 1 0 375.332 2.613 20 0 GFADRO C[C@H](Cn1cc(Br)cn1)[NH2+]CCCC(=O)N1Cc2ccccc2C1 ZINC000180754012 552235101 /nfs/dbraw/zinc/23/51/01/552235101.db2.gz AXIUMKUDDHEFOO-CQSZACIVSA-N 1 0 391.313 2.946 20 0 GFADRO COc1ccc([C@@H](C)[NH2+]CC2CCN(S(=O)(=O)C(F)F)CC2)cc1F ZINC000180801835 552235945 /nfs/dbraw/zinc/23/59/45/552235945.db2.gz VFQUYNUHTCDUBO-LLVKDONJSA-N 1 0 380.432 2.749 20 0 GFADRO CC(=O)N1CC[C@H](C[N@@H+](C)Cc2cnn(-c3ccc(Br)cc3)c2)C1 ZINC000180825932 552237300 /nfs/dbraw/zinc/23/73/00/552237300.db2.gz KMUJWVYDWOOSSB-OAHLLOKOSA-N 1 0 391.313 2.935 20 0 GFADRO CCN(CC)C(=O)C[C@H](C)[NH2+]Cc1nnc(-c2ccc(Br)cc2)[nH]1 ZINC000181275445 552251618 /nfs/dbraw/zinc/25/16/18/552251618.db2.gz SGOMFKDTROALMD-LBPRGKRZSA-N 1 0 394.317 2.971 20 0 GFADRO COCc1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1cc(Br)ccc1F)CC2 ZINC000181296156 552252179 /nfs/dbraw/zinc/25/21/79/552252179.db2.gz LWRNQNVGXNPBEC-CMPLNLGQSA-N 1 0 383.265 2.992 20 0 GFADRO COc1ccc([C@@H](C)[NH2+]CCNS(=O)(=O)c2ccc(C)s2)c(OC)c1 ZINC000181510454 552258686 /nfs/dbraw/zinc/25/86/86/552258686.db2.gz OJUXGNVXOGAIBW-CYBMUJFWSA-N 1 0 384.523 2.703 20 0 GFADRO CC1(C)[C@H]([NH2+]CCNC(=O)c2ccc(Br)cc2)[C@H]2CCCO[C@@H]21 ZINC000181548671 552260593 /nfs/dbraw/zinc/26/05/93/552260593.db2.gz TTZDVPPXUPCWOX-OAGGEKHMSA-N 1 0 381.314 2.972 20 0 GFADRO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)Nc1ccc(NS(C)(=O)=O)c(Cl)c1 ZINC000181607678 552262360 /nfs/dbraw/zinc/26/23/60/552262360.db2.gz OIPQDCNHHLKIKN-OAHLLOKOSA-N 1 0 388.921 2.515 20 0 GFADRO O=S(=O)(C[C@@H](O)C[NH2+][C@@H]1CCCOc2ccc(F)cc21)c1cccs1 ZINC000181639773 552263567 /nfs/dbraw/zinc/26/35/67/552263567.db2.gz PTAJPCDGGGKPGH-DZGCQCFKSA-N 1 0 385.482 2.525 20 0 GFADRO O=S(=O)(C[C@H](O)C[NH2+][C@@H]1CCCOc2ccc(F)cc21)c1cccs1 ZINC000181639755 552263678 /nfs/dbraw/zinc/26/36/78/552263678.db2.gz PTAJPCDGGGKPGH-UKRRQHHQSA-N 1 0 385.482 2.525 20 0 GFADRO COc1cc([C@H](C)[NH2+]C[C@@H]2CCN(S(C)(=O)=O)C2)ccc1SC(F)F ZINC000181681725 552265174 /nfs/dbraw/zinc/26/51/74/552265174.db2.gz FRSAMRRBJTWLAX-RYUDHWBXSA-N 1 0 394.509 2.942 20 0 GFADRO C[C@@H]([NH2+]C[C@H]1CCCN1S(C)(=O)=O)c1ccc(F)c(Br)c1 ZINC000181693665 552265501 /nfs/dbraw/zinc/26/55/01/552265501.db2.gz OCCWJJSZSBFKLJ-ZYHUDNBSSA-N 1 0 379.295 2.663 20 0 GFADRO C[C@H]([NH2+]CC(=O)NCc1ccc(Cl)s1)c1ccc(-n2ccnn2)cc1 ZINC000182023084 552273359 /nfs/dbraw/zinc/27/33/59/552273359.db2.gz KIOIVNWDFXHGMT-LBPRGKRZSA-N 1 0 375.885 2.949 20 0 GFADRO NC(=O)C[C@H]([NH2+]CC(=O)Nc1ccc(Br)cc1)C1CCCCC1 ZINC000182034899 552274009 /nfs/dbraw/zinc/27/40/09/552274009.db2.gz VKAWUJBFYMODPG-HNNXBMFYSA-N 1 0 382.302 2.802 20 0 GFADRO CC[NH+]1CCN([C@@H]2CCN(Cc3ccc(Br)cc3OC)C2)CC1 ZINC000182167505 552277055 /nfs/dbraw/zinc/27/70/55/552277055.db2.gz PUBDVRFXKFXMFW-QGZVFWFLSA-N 1 0 382.346 2.670 20 0 GFADRO C[C@@H](NC(=O)N(C)CCCN1CC[NH+](C)CC1)c1ccc(Br)cc1 ZINC000182207880 552278224 /nfs/dbraw/zinc/27/82/24/552278224.db2.gz QEWFUYFNJYMJRT-OAHLLOKOSA-N 1 0 397.361 2.789 20 0 GFADRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)NCCNc2ncc(Cl)cc2Cl)C1 ZINC000182359003 552281864 /nfs/dbraw/zinc/28/18/64/552281864.db2.gz USZXFFYCXWKBTN-IUODEOHRSA-N 1 0 386.327 2.926 20 0 GFADRO C[C@@H]([NH2+]CCN1C(=O)NC2(CCCC2)C1=O)c1cccc(Br)c1 ZINC000182574916 552287527 /nfs/dbraw/zinc/28/75/27/552287527.db2.gz PUSFXYLRZFJDES-GFCCVEGCSA-N 1 0 380.286 2.964 20 0 GFADRO CC[C@@H]([NH2+][C@@H](C)C(=O)N(CC)[C@@H]1CCS(=O)(=O)C1)c1cccc(Cl)c1 ZINC000182589094 552288342 /nfs/dbraw/zinc/28/83/42/552288342.db2.gz PCUDOVWQMMVVGC-IAOVAPTHSA-N 1 0 386.945 2.805 20 0 GFADRO CC[C@@H]([NH2+]CC(=O)Nc1ccc(S(N)(=O)=O)cc1)c1cccc(Cl)c1 ZINC000182601447 552288434 /nfs/dbraw/zinc/28/84/34/552288434.db2.gz CKAKHLYLIJIKNQ-MRXNPFEDSA-N 1 0 381.885 2.667 20 0 GFADRO CCS(=O)(=O)C[C@H](C)[NH2+]C[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000182592246 552288461 /nfs/dbraw/zinc/28/84/61/552288461.db2.gz OXUIYOMYEVVRRL-KBPBESRZSA-N 1 0 389.359 2.688 20 0 GFADRO CC[NH+](CC)C[C@@H]1CCN(S(=O)(=O)c2ccc(OCC(F)F)cc2)C1 ZINC000182711733 552291048 /nfs/dbraw/zinc/29/10/48/552291048.db2.gz GBSPJLKKBAKIIB-AWEZNQCLSA-N 1 0 376.469 2.683 20 0 GFADRO CC[C@H]([NH2+]CCc1ccc(S(=O)(=O)N(CC)CC)s1)c1nccn1C ZINC000182815970 552294151 /nfs/dbraw/zinc/29/41/51/552294151.db2.gz ATOWQNJPPYXHCF-HNNXBMFYSA-N 1 0 384.571 2.796 20 0 GFADRO CN1CC[NH+]([C@H]2CCCCN(CCOc3ccccc3Br)C2)CC1 ZINC000182903712 552295553 /nfs/dbraw/zinc/29/55/53/552295553.db2.gz MZKKKVSMRSNNPV-KRWDZBQOSA-N 1 0 396.373 2.930 20 0 GFADRO CSc1nnc(CCC[NH2+][C@@H]2CCCC[C@H]2S(C)(=O)=O)n1CC(C)C ZINC000182964982 552297542 /nfs/dbraw/zinc/29/75/42/552297542.db2.gz LFBCQFIIGJZNHJ-HUUCEWRRSA-N 1 0 388.603 2.534 20 0 GFADRO C[C@H]([NH2+][C@@H](C)[C@H]1CCCO1)C(=O)Nc1cccc(I)c1 ZINC000183105799 552300373 /nfs/dbraw/zinc/30/03/73/552300373.db2.gz KJDBWMPSCXBSNW-COPLHBTASA-N 1 0 388.249 2.775 20 0 GFADRO C[S@](=O)C[C@H]([NH2+]C[C@H](O)COCc1ccc(Cl)cc1)c1ccccc1 ZINC000183101940 552300572 /nfs/dbraw/zinc/30/05/72/552300572.db2.gz HVRZJWBRILYEOY-MHPIHPPYSA-N 1 0 381.925 2.927 20 0 GFADRO C[C@H](CCNC(=O)c1cc(Br)cnc1N(C)C)[NH+]1CCCCC1 ZINC000183173698 552302239 /nfs/dbraw/zinc/30/22/39/552302239.db2.gz RVABWFPKONDKLY-CYBMUJFWSA-N 1 0 383.334 2.904 20 0 GFADRO O=S(=O)(c1c(F)c(F)c(F)c(F)c1F)N1CCC([NH2+]CC2CC2)CC1 ZINC000183184047 552302848 /nfs/dbraw/zinc/30/28/48/552302848.db2.gz WULMOPCVEUWOJE-UHFFFAOYSA-N 1 0 384.370 2.535 20 0 GFADRO C[C@@H](O)[C@H]1CC[N@H+](C[C@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000183222115 552303029 /nfs/dbraw/zinc/30/30/29/552303029.db2.gz GJONQJGIXKNRAO-MDZLAQPJSA-N 1 0 378.694 2.545 20 0 GFADRO COC(=O)c1ccc(Cl)cc1S(=O)(=O)NCC[C@H](C)[NH+]1CCCCC1 ZINC000183289721 552304918 /nfs/dbraw/zinc/30/49/18/552304918.db2.gz NYZGWVVSFFSNGM-ZDUSSCGKSA-N 1 0 388.917 2.669 20 0 GFADRO CC[NH+](CC)CCCNS(=O)(=O)c1cc(F)c(Br)cc1OC ZINC000183371455 552307393 /nfs/dbraw/zinc/30/73/93/552307393.db2.gz AFTQKALYLILDNV-UHFFFAOYSA-N 1 0 397.310 2.607 20 0 GFADRO CN(C)C(=O)[C@@H]1CC[C@@H](C[NH2+][C@@H]2CCCOc3cc(Br)ccc32)O1 ZINC000183448898 552310071 /nfs/dbraw/zinc/31/00/71/552310071.db2.gz UIPNILQUJKBRNG-IMJJTQAJSA-N 1 0 397.313 2.888 20 0 GFADRO O=C1COc2ccccc2N1CCC[NH2+]Cc1cncc(Br)c1 ZINC000183720593 552317368 /nfs/dbraw/zinc/31/73/68/552317368.db2.gz NWJMVHNVBMIYPZ-UHFFFAOYSA-N 1 0 376.254 2.749 20 0 GFADRO COC(=O)c1cn(C2CC[NH+](Cc3ccccc3Br)CC2)nn1 ZINC000183741089 552317796 /nfs/dbraw/zinc/31/77/96/552317796.db2.gz ORYPKMQRSPHCJB-UHFFFAOYSA-N 1 0 379.258 2.664 20 0 GFADRO Cc1ccc(OC[C@@H](O)C[NH2+][C@H](CO)c2cccc(Br)c2)cc1 ZINC000183892911 552321961 /nfs/dbraw/zinc/32/19/61/552321961.db2.gz OYOCIVHPOBNVTE-FUHWJXTLSA-N 1 0 380.282 2.820 20 0 GFADRO C[C@H](CC(=O)OC(C)(C)C)[NH2+]C[C@@H](O)COc1ccccc1Br ZINC000183910490 552322446 /nfs/dbraw/zinc/32/24/46/552322446.db2.gz YZOUMHYDHJYMRT-CHWSQXEVSA-N 1 0 388.302 2.899 20 0 GFADRO O=C(CC[N@@H+]1CCOCC2(CCOCC2)C1)Nc1ccc(Br)cc1 ZINC000184077741 552326737 /nfs/dbraw/zinc/32/67/37/552326737.db2.gz IDDDIHXHZSMLKH-UHFFFAOYSA-N 1 0 397.313 2.907 20 0 GFADRO COc1cc(C[NH2+]C[C@H](C)c2ncc(C)s2)cc(Cl)c1OCC(N)=O ZINC000184345029 552333433 /nfs/dbraw/zinc/33/34/33/552333433.db2.gz AVNUZFWQNGDJIS-JTQLQIEISA-N 1 0 383.901 2.871 20 0 GFADRO COc1cc(C[NH2+]CC2(CO)CCC2)cc(I)c1OC ZINC000184367839 552334147 /nfs/dbraw/zinc/33/41/47/552334147.db2.gz PPIYLMMDHUGTMM-UHFFFAOYSA-N 1 0 391.249 2.561 20 0 GFADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)Nc1cc(F)ccc1Br ZINC000184497820 552337016 /nfs/dbraw/zinc/33/70/16/552337016.db2.gz YPWODANKIUOSOP-LBPRGKRZSA-N 1 0 387.297 2.736 20 0 GFADRO NC(=O)[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000184797935 552344855 /nfs/dbraw/zinc/34/48/55/552344855.db2.gz AWJHJUYHHYNYLR-PWSUYJOCSA-N 1 0 377.794 2.931 20 0 GFADRO NC(=O)[C@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000184844664 552345715 /nfs/dbraw/zinc/34/57/15/552345715.db2.gz QHYIALYXMVHACK-JQWIXIFHSA-N 1 0 377.794 2.931 20 0 GFADRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)c3cc(Cl)ccc3I)C[C@@H]12 ZINC000184962759 552349397 /nfs/dbraw/zinc/34/93/97/552349397.db2.gz BPICNFDVUKNLBM-XTWCZFFVSA-N 1 0 390.652 2.754 20 0 GFADRO Cc1c(C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cnn1-c1cccc(Br)c1 ZINC000185194342 552356936 /nfs/dbraw/zinc/35/69/36/552356936.db2.gz DZQJXEBETMAGPA-VUCTXSBTSA-N 1 0 389.297 2.753 20 0 GFADRO C[C@@H](C[NH+]1CCCCCC1)NC(=O)CNC(=O)c1cccc(Br)c1 ZINC000185434942 552363190 /nfs/dbraw/zinc/36/31/90/552363190.db2.gz ZWSSANSUZMNHFE-AWEZNQCLSA-N 1 0 396.329 2.560 20 0 GFADRO Cc1ccc(CCC(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)c(Br)c1 ZINC000185634709 552367549 /nfs/dbraw/zinc/36/75/49/552367549.db2.gz RSXPBCWLEYUSCJ-INIZCTEOSA-N 1 0 395.341 2.871 20 0 GFADRO COC[C@@](C)(CCO)[NH2+]Cc1cc(Br)cc(Br)c1N ZINC000185853435 552372206 /nfs/dbraw/zinc/37/22/06/552372206.db2.gz XJEISBLGYLYBAO-CYBMUJFWSA-N 1 0 396.123 2.671 20 0 GFADRO CC[C@@H](CO)[NH+]1CCN(C(=O)CCc2ccc(C)cc2Br)CC1 ZINC000185872341 552372759 /nfs/dbraw/zinc/37/27/59/552372759.db2.gz ASXJVSFDBJWQBL-INIZCTEOSA-N 1 0 383.330 2.605 20 0 GFADRO O=C(c1cc(Br)c2c(c1)OCCO2)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000186512405 552389638 /nfs/dbraw/zinc/38/96/38/552389638.db2.gz ULSGYGXKPJHSBV-LBPRGKRZSA-N 1 0 381.270 2.577 20 0 GFADRO O=C(c1cc(Br)c2c(c1)OCCO2)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000186512418 552389725 /nfs/dbraw/zinc/38/97/25/552389725.db2.gz ULSGYGXKPJHSBV-GFCCVEGCSA-N 1 0 381.270 2.577 20 0 GFADRO C[C@H]1CN(C(=O)Nc2cc(F)ccc2Br)CC[N@@H+]1CC(C)(C)O ZINC000186699238 552395426 /nfs/dbraw/zinc/39/54/26/552395426.db2.gz QCYJSLVYAPJDGU-NSHDSACASA-N 1 0 388.281 2.897 20 0 GFADRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)Nc1ccc(Br)cc1F ZINC000186743672 552396262 /nfs/dbraw/zinc/39/62/62/552396262.db2.gz ICMREDVHOMDOLX-NSHDSACASA-N 1 0 388.281 2.897 20 0 GFADRO CS(=O)(=O)[C@@H]1CCCC[C@H]1[NH2+]CCc1ccc(OCC(F)(F)F)nc1 ZINC000186745892 552396677 /nfs/dbraw/zinc/39/66/77/552396677.db2.gz SJIOKFJESCKZDM-ZIAGYGMSSA-N 1 0 380.432 2.511 20 0 GFADRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1 ZINC000186828785 552398716 /nfs/dbraw/zinc/39/87/16/552398716.db2.gz BUFCQEMDWUDAFK-XJKSGUPXSA-N 1 0 384.929 2.541 20 0 GFADRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)c1nn(-c2ccc(F)cc2)cc1Br ZINC000186892292 552400695 /nfs/dbraw/zinc/40/06/95/552400695.db2.gz QYAWMJQZNUWJPA-YGRLFVJLSA-N 1 0 381.249 2.502 20 0 GFADRO CC[NH+]1CCN([C@@H]2CCN(Cc3cccc(Br)c3OC)C2)CC1 ZINC000186937824 552401951 /nfs/dbraw/zinc/40/19/51/552401951.db2.gz IWTBQSMKQNCKCY-MRXNPFEDSA-N 1 0 382.346 2.670 20 0 GFADRO C[C@H](C(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C)c1ccc(Br)s1 ZINC000186941210 552402345 /nfs/dbraw/zinc/40/23/45/552402345.db2.gz PJQMGWRKOFBIAF-NEPJUHHUSA-N 1 0 389.359 2.918 20 0 GFADRO COc1ccc(Cl)cc1N1CC[C@@H]([NH2+][C@H](C)C2CCS(=O)(=O)CC2)C1 ZINC000187141550 552407654 /nfs/dbraw/zinc/40/76/54/552407654.db2.gz BWBJICXWPBJDMP-CZUORRHYSA-N 1 0 386.945 2.730 20 0 GFADRO CNS(=O)(=O)CC[NH2+][C@@H](C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000187176684 552408494 /nfs/dbraw/zinc/40/84/94/552408494.db2.gz OHRVEHHULVQSOM-QMMMGPOBSA-N 1 0 378.338 2.924 20 0 GFADRO O[C@@H](C[N@@H+]1CCC[C@H](Cn2ccnn2)C1)c1ccc(F)c(Br)c1 ZINC000187318818 552412057 /nfs/dbraw/zinc/41/20/57/552412057.db2.gz QZVIKMFZYNGUSU-LRDDRELGSA-N 1 0 383.265 2.625 20 0 GFADRO COCCC(=O)N1CCC([NH2+][C@@H](C)c2ncc(Br)cc2F)CC1 ZINC000187377590 552413817 /nfs/dbraw/zinc/41/38/17/552413817.db2.gz KEIAULPMYZNQTA-NSHDSACASA-N 1 0 388.281 2.661 20 0 GFADRO Cc1cc(Br)cc(NC(=O)NCCN2CCC([NH+](C)C)CC2)c1 ZINC000187517088 552417837 /nfs/dbraw/zinc/41/78/37/552417837.db2.gz XUZAONSGGOVKJC-UHFFFAOYSA-N 1 0 383.334 2.905 20 0 GFADRO CN(CC[N@H+](C)C1CC1)C(=O)C(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000187732764 552423286 /nfs/dbraw/zinc/42/32/86/552423286.db2.gz WNHIQEDUEMKYDS-UHFFFAOYSA-N 1 0 377.794 2.850 20 0 GFADRO Cc1ccc(Br)cc1CNC(=O)N[C@H](C)CC[NH+]1CCN(C)CC1 ZINC000187734946 552423394 /nfs/dbraw/zinc/42/33/94/552423394.db2.gz BIBOPPQLRZMPKF-OAHLLOKOSA-N 1 0 397.361 2.583 20 0 GFADRO Cc1cc(F)c(Br)cc1NC(=O)C(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000187879390 552427260 /nfs/dbraw/zinc/42/72/60/552427260.db2.gz YSAALVMFPLUWOZ-MNOVXSKESA-N 1 0 398.276 2.577 20 0 GFADRO Cc1cc(Br)cc(NC(=O)C(=O)NC[C@@H](CC(C)C)[NH+](C)C)c1 ZINC000188055280 552432782 /nfs/dbraw/zinc/43/27/82/552432782.db2.gz SWUQVADTFYMWMT-OAHLLOKOSA-N 1 0 384.318 2.789 20 0 GFADRO CCCNC(=O)CN1CCC([NH2+][C@H](C)Cc2ccc(Br)cc2)CC1 ZINC000188119898 552436103 /nfs/dbraw/zinc/43/61/03/552436103.db2.gz HODPKPIFSDFZQF-OAHLLOKOSA-N 1 0 396.373 2.960 20 0 GFADRO CCCn1c2ccc(S(N)(=O)=O)cc2nc1SCCC[NH+](CC)CC ZINC000188258010 552440945 /nfs/dbraw/zinc/44/09/45/552440945.db2.gz BMCVPSXKODVRQW-UHFFFAOYSA-N 1 0 384.571 2.918 20 0 GFADRO Cc1csc(C(=O)NCCC[NH+]2CCCC2)c1I ZINC000188639327 552451008 /nfs/dbraw/zinc/45/10/08/552451008.db2.gz HTEWTBYDHCWHEP-UHFFFAOYSA-N 1 0 378.279 2.877 20 0 GFADRO C[C@H]1CN(C(=O)CCc2ccccc2Br)CC[N@@H+]1CC(C)(C)O ZINC000188665666 552451499 /nfs/dbraw/zinc/45/14/99/552451499.db2.gz KAJMXAFPGMOCMY-AWEZNQCLSA-N 1 0 383.330 2.685 20 0 GFADRO O=C(N1CC[NH+]2CCC1CC2)[C@@]12CCC(=O)N1c1cc(Cl)ccc1S2 ZINC000188665039 552451682 /nfs/dbraw/zinc/45/16/82/552451682.db2.gz BMLCKXXSJUXBHQ-SFHVURJKSA-N 1 0 377.897 2.575 20 0 GFADRO CCN1CCC[C@@H]1C[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000188688727 552452215 /nfs/dbraw/zinc/45/22/15/552452215.db2.gz VBJBMAXUVJRTPD-QGZVFWFLSA-N 1 0 382.346 2.860 20 0 GFADRO COc1cc(C[N@H+](C)CC2(CO)CC2)cc(I)c1OC ZINC000188961588 552459784 /nfs/dbraw/zinc/45/97/84/552459784.db2.gz VBQITQVVOZSOBS-UHFFFAOYSA-N 1 0 391.249 2.513 20 0 GFADRO O=C(NCC1([NH+]2CCCCC2)CCOCC1)c1ncc(Br)s1 ZINC000189371218 552469561 /nfs/dbraw/zinc/46/95/61/552469561.db2.gz SUXZFPVIWFSHOG-UHFFFAOYSA-N 1 0 388.331 2.671 20 0 GFADRO CCOCCC[N@@H+]1CC[C@@H](NCC(=O)NCc2ccc(Cl)s2)[C@H](C)C1 ZINC000190000720 552484785 /nfs/dbraw/zinc/48/47/85/552484785.db2.gz VCNSHXPPZJCDJH-GDBMZVCRSA-N 1 0 387.977 2.744 20 0 GFADRO O=C(Nc1ccc(F)c(Br)c1)C(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000190012122 552485015 /nfs/dbraw/zinc/48/50/15/552485015.db2.gz ANOVRYRNPKWQGD-CYBMUJFWSA-N 1 0 398.276 2.614 20 0 GFADRO CCCN(CCC[NH+](C)C)C(=O)C(=O)Nc1ccc(C)cc1Br ZINC000190158046 552489290 /nfs/dbraw/zinc/48/92/90/552489290.db2.gz OVLHLBNXYJBDFS-UHFFFAOYSA-N 1 0 384.318 2.886 20 0 GFADRO Cc1cc(NC(=O)C(=O)N2CCC[C@H]([NH+](C)C)C2)cc(C)c1Br ZINC000190595752 552502353 /nfs/dbraw/zinc/50/23/53/552502353.db2.gz AGIBUNBSELFPIB-AWEZNQCLSA-N 1 0 382.302 2.557 20 0 GFADRO CS(=O)(=O)N1CC[C@H](C[NH2+][C@@H](c2ccc(Br)s2)C2CC2)C1 ZINC000190653400 552504937 /nfs/dbraw/zinc/50/49/37/552504937.db2.gz DGSKPFNXSWBUPQ-QMTHXVAHSA-N 1 0 393.372 2.833 20 0 GFADRO COCCN(CC[NH+](C)C)C(=O)Nc1cc(Br)c(F)cc1C ZINC000190917949 552513222 /nfs/dbraw/zinc/51/32/22/552513222.db2.gz GFTZZKPNLZVHBG-UHFFFAOYSA-N 1 0 376.270 2.939 20 0 GFADRO C[C@@H]1C[C@H](N(C)C(=O)Cc2ccc(I)cc2)CC[N@@H+]1C ZINC000190947503 552513821 /nfs/dbraw/zinc/51/38/21/552513821.db2.gz WMJXGHQDEJWOIE-IUODEOHRSA-N 1 0 386.277 2.775 20 0 GFADRO Cc1cnc(NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)c(Br)c1 ZINC000191010914 552516267 /nfs/dbraw/zinc/51/62/67/552516267.db2.gz ZLIKBUFDSAPOEN-MRXNPFEDSA-N 1 0 376.298 2.984 20 0 GFADRO Cn1cc([C@@H]2CSCC[N@@H+]2CCC(=O)NCc2ccccc2Cl)cn1 ZINC000191170127 552520196 /nfs/dbraw/zinc/52/01/96/552520196.db2.gz KYXLEVVZRFHYJY-KRWDZBQOSA-N 1 0 378.929 2.870 20 0 GFADRO COc1cc(Cl)c(Cl)cc1NC(=O)NCC1CC[NH+](CCO)CC1 ZINC000191256728 552522532 /nfs/dbraw/zinc/52/25/32/552522532.db2.gz ZSCUPRDGFIYSBD-UHFFFAOYSA-N 1 0 376.284 2.828 20 0 GFADRO C[N@H+](CCn1cccn1)Cc1cccc(Br)c1OCC(C)(C)O ZINC000191347388 552525400 /nfs/dbraw/zinc/52/54/00/552525400.db2.gz JYEFGJGRYDUUAE-UHFFFAOYSA-N 1 0 382.302 2.927 20 0 GFADRO CCOC(=O)c1csc([C@@H]2CCCN2CCCNC(=O)C(F)(F)F)n1 ZINC000191459878 552528971 /nfs/dbraw/zinc/52/89/71/552528971.db2.gz NFCIFWYMJHLEMN-NSHDSACASA-N 1 0 379.404 2.525 20 0 GFADRO CC(C)[C@@](C)([NH2+]Cc1cn(C)c(=O)n(C)c1=O)c1ccc(Br)cc1 ZINC000191667563 552534697 /nfs/dbraw/zinc/53/46/97/552534697.db2.gz JULBKLSAROCFHO-GOSISDBHSA-N 1 0 394.313 2.508 20 0 GFADRO COC(=O)C[C@H]1CCC[N@@H+]1Cc1ccc(Br)cc1N1CCOCC1 ZINC000191693700 552534783 /nfs/dbraw/zinc/53/47/83/552534783.db2.gz MEFQHGBEMNXHIA-MRXNPFEDSA-N 1 0 397.313 2.813 20 0 GFADRO CO[C@H](C)[C@H](C)[NH2+][C@@H](C)C(=O)Nc1ccc(I)cc1 ZINC000191721191 552536131 /nfs/dbraw/zinc/53/61/31/552536131.db2.gz ZMXLVGBYXGDBTR-GARJFASQSA-N 1 0 376.238 2.631 20 0 GFADRO C[C@@H]([NH3+])[C@H](C)C(=O)N1CCC(C(=O)Nc2ccccc2Br)CC1 ZINC000192034224 552546787 /nfs/dbraw/zinc/54/67/87/552546787.db2.gz CCJVSCHMKXLKMF-NWDGAFQWSA-N 1 0 382.302 2.610 20 0 GFADRO O=C(c1cccc(Br)c1F)N1CC[NH+](CC2CCOCC2)CC1 ZINC000192129583 552552241 /nfs/dbraw/zinc/55/22/41/552552241.db2.gz QOOGUXJRKZABON-UHFFFAOYSA-N 1 0 385.277 2.773 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)c2cc(Br)nn2C)C[N@@H+]1Cc1ccccc1 ZINC000192161716 552554219 /nfs/dbraw/zinc/55/42/19/552554219.db2.gz JYCHUQWEWNXRGH-TZMCWYRMSA-N 1 0 377.286 2.575 20 0 GFADRO COC(=O)CNC(=O)CC[NH2+][C@](C)(c1ccc(Br)cc1)C(C)C ZINC000192373694 552561117 /nfs/dbraw/zinc/56/11/17/552561117.db2.gz NVZNQRTWLBLZEE-KRWDZBQOSA-N 1 0 385.302 2.589 20 0 GFADRO Cc1cc(NC(=O)N2CC[NH+](CC(C)(C)O)CC2)cc(C)c1Br ZINC000192417750 552562594 /nfs/dbraw/zinc/56/25/94/552562594.db2.gz NJJYJJBRQKVHHA-UHFFFAOYSA-N 1 0 384.318 2.986 20 0 GFADRO COC(=O)C1CCC([NH2+]C[C@@H](O)COc2ccccc2Br)CC1 ZINC000192445814 552563993 /nfs/dbraw/zinc/56/39/93/552563993.db2.gz UZTZFGKRXZPUDX-JXQTWKCFSA-N 1 0 386.286 2.510 20 0 GFADRO CC[C@@H](CO)[NH+]1CCN(C(=O)Nc2cc3c(cc2Br)CCC3)CC1 ZINC000192479798 552565274 /nfs/dbraw/zinc/56/52/74/552565274.db2.gz YZNUPYGQDLPAAY-HNNXBMFYSA-N 1 0 396.329 2.858 20 0 GFADRO O=C(NCC1([NH+]2CCSCC2)CCCC1)[C@@H]1CCCN1c1nccs1 ZINC000192684766 552971147 /nfs/dbraw/zinc/97/11/47/552971147.db2.gz PVNFGKQOZCKGNL-HNNXBMFYSA-N 1 0 380.583 2.590 20 0 GFADRO CC(C)N1CCC[C@@H]([NH2+]C(C)(C)COc2ncccc2Br)C1=O ZINC000192718388 552972276 /nfs/dbraw/zinc/97/22/76/552972276.db2.gz QGJUZZOCGCNHKM-CQSZACIVSA-N 1 0 384.318 2.991 20 0 GFADRO C[C@@H](O)C[N@@H+]1CCN(Cc2coc(-c3ccc(Br)cc3)n2)[C@@H](C)C1 ZINC000192824813 552975074 /nfs/dbraw/zinc/97/50/74/552975074.db2.gz PCVHKKHBEKUBEY-UONOGXRCSA-N 1 0 394.313 2.991 20 0 GFADRO CN([C@H]1CC[NH2+]C1)S(=O)(=O)c1ccc(Br)c(Cl)c1Cl ZINC000193271250 552988245 /nfs/dbraw/zinc/98/82/45/552988245.db2.gz HJGCZOVEYNXLGP-ZETCQYMHSA-N 1 0 388.114 2.738 20 0 GFADRO [NH3+]C[C@@H](NS(=O)(=O)c1ccc(Br)c(Cl)c1Cl)C1CC1 ZINC000193294323 552989370 /nfs/dbraw/zinc/98/93/70/552989370.db2.gz DIGLQXNJPXOFLO-MRVPVSSYSA-N 1 0 388.114 2.772 20 0 GFADRO CCCC[C@H](C[NH3+])NS(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC000193305494 552989585 /nfs/dbraw/zinc/98/95/85/552989585.db2.gz SNBDJCPZQUHOSL-DZGCQCFKSA-N 1 0 390.933 2.551 20 0 GFADRO COc1cc(Cl)c(S(=O)(=O)N[C@]2(C[NH3+])CCCC[C@@H]2C)cc1OC ZINC000193319402 552990063 /nfs/dbraw/zinc/99/00/63/552990063.db2.gz JAVCSNACOLYSNU-ZBEGNZNMSA-N 1 0 376.906 2.543 20 0 GFADRO CC1(NC(=O)c2cc(Cl)ccc2I)CC[NH2+]CC1 ZINC000193397639 552992180 /nfs/dbraw/zinc/99/21/80/552992180.db2.gz CIJCRERNKUXZBE-UHFFFAOYSA-N 1 0 378.641 2.817 20 0 GFADRO C[C@H]1CC[NH2+]C[C@@H]1NS(=O)(=O)c1cc(Cl)c(Br)cc1F ZINC000193411116 552992414 /nfs/dbraw/zinc/99/24/14/552992414.db2.gz RHLBXJFOXSFIFV-CPCISQLKSA-N 1 0 385.686 2.518 20 0 GFADRO C[C@@H]1CC[NH2+]C[C@@H]1NS(=O)(=O)c1c(Cl)cc(F)cc1Br ZINC000193413439 552993066 /nfs/dbraw/zinc/99/30/66/552993066.db2.gz NZKKFAVREYMDHO-HQJQHLMTSA-N 1 0 385.686 2.518 20 0 GFADRO C[NH+](C)CCNC(=O)c1cccc(CNC(=O)Cc2ccc(Cl)s2)c1 ZINC000193597509 552998239 /nfs/dbraw/zinc/99/82/39/552998239.db2.gz DDEYNSAQKWGDCU-UHFFFAOYSA-N 1 0 379.913 2.552 20 0 GFADRO CC[NH+](CC)CCN(C(=O)Nc1cccc(Cl)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000193612159 552998724 /nfs/dbraw/zinc/99/87/24/552998724.db2.gz NUISPEUCRMHSEA-MRXNPFEDSA-N 1 0 387.933 2.703 20 0 GFADRO CCCOc1c(Br)cc(C[NH2+][C@@H]2C(=O)NCC[C@H]2C)cc1OC ZINC000193682666 552999957 /nfs/dbraw/zinc/99/99/57/552999957.db2.gz DGUHVCRVRCAFKT-ABAIWWIYSA-N 1 0 385.302 2.861 20 0 GFADRO CSc1ccc(S(=O)(=O)NCc2ccccc2OCC[NH+](C)C)cc1 ZINC000194935280 553034314 /nfs/dbraw/zinc/03/43/14/553034314.db2.gz WNNPLISXCKLBEV-UHFFFAOYSA-N 1 0 380.535 2.827 20 0 GFADRO COc1ccc(Br)cc1CNC(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000194977997 553034777 /nfs/dbraw/zinc/03/47/77/553034777.db2.gz YFVHXPPYPOCTIC-GFCCVEGCSA-N 1 0 382.302 2.741 20 0 GFADRO COCC[NH+]1CCC(NC(=O)N[C@@H](C)c2ccc(Br)cc2)CC1 ZINC000195137714 553038906 /nfs/dbraw/zinc/03/89/06/553038906.db2.gz BXSUHANJIZLTSW-ZDUSSCGKSA-N 1 0 384.318 2.920 20 0 GFADRO C[C@H]1CN(C(=O)c2cc(Cl)ccc2I)CC[C@@H]1[NH3+] ZINC000226263690 553061471 /nfs/dbraw/zinc/06/14/71/553061471.db2.gz VLDFQUGOFOPHIU-UFBFGSQYSA-N 1 0 378.641 2.754 20 0 GFADRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3cccc(I)c3)CC[C@H]21 ZINC000227336792 553062609 /nfs/dbraw/zinc/06/26/09/553062609.db2.gz PJIZBFZYVHQCCM-DZGCQCFKSA-N 1 0 384.261 2.848 20 0 GFADRO C[C@H]1OCC[C@]1(O)C[NH2+]Cc1ccc(Br)c(Br)c1 ZINC000227974702 553063330 /nfs/dbraw/zinc/06/33/30/553063330.db2.gz IXTABPLTYBCRKG-RNCFNFMXSA-N 1 0 379.092 2.841 20 0 GFADRO CCN(CCC[NH+](C)C)C(=O)c1ccc(F)cc1I ZINC000230421003 553064913 /nfs/dbraw/zinc/06/49/13/553064913.db2.gz IQELVTLGKVZRQA-UHFFFAOYSA-N 1 0 378.229 2.844 20 0 GFADRO C[C@@H](NS(=O)(=O)c1ccc(Cl)c(Br)c1)[C@H]1CCC[NH2+]C1 ZINC000235202835 553067860 /nfs/dbraw/zinc/06/78/60/553067860.db2.gz SYVXFDGLIZFDFE-ZJUUUORDSA-N 1 0 381.723 2.769 20 0 GFADRO CCC([NH3+])(CC)CNC(=O)c1cc(F)c(F)cc1I ZINC000236807979 553071689 /nfs/dbraw/zinc/07/16/89/553071689.db2.gz AMBNSNUIJZEUKN-UHFFFAOYSA-N 1 0 382.192 2.817 20 0 GFADRO CC(C)([NH3+])CNC(=O)c1nn(-c2ccc(Br)cc2)c2c1CCCC2 ZINC000236645648 553070472 /nfs/dbraw/zinc/07/04/72/553070472.db2.gz FFQJZIKVOHICCE-UHFFFAOYSA-N 1 0 391.313 2.981 20 0 GFADRO CC(C)[C@@](C)(C[NH3+])NC(=O)CCC[S@](=O)c1ccc(Br)cc1 ZINC000236804391 553071542 /nfs/dbraw/zinc/07/15/42/553071542.db2.gz KEIXTWVADHLKNP-ZHRRBRCNSA-N 1 0 389.359 2.827 20 0 GFADRO CC(=O)N[C@H](CC(=O)N(C)CC[C@@H]([NH3+])C(C)C)c1ccc(Br)cc1 ZINC000236829697 553071814 /nfs/dbraw/zinc/07/18/14/553071814.db2.gz JPLQLIJWBVIFKG-IAGOWNOFSA-N 1 0 398.345 2.848 20 0 GFADRO CCC[NH2+]CCNC(=O)c1nnn(-c2ccc(Br)cc2)c1C1CC1 ZINC000236857769 553072092 /nfs/dbraw/zinc/07/20/92/553072092.db2.gz MZSZHUVZOAXHIW-UHFFFAOYSA-N 1 0 392.301 2.637 20 0 GFADRO CCOc1ccc(S(=O)(=O)N2CCCC[C@H]2[C@@H](C)[NH3+])cc1Br ZINC000236861379 553072175 /nfs/dbraw/zinc/07/21/75/553072175.db2.gz CSVIFNSGABNAQD-RISCZKNCSA-N 1 0 391.331 2.738 20 0 GFADRO CC[C@H]([NH3+])C(=O)Nc1ccc(Br)c(I)c1 ZINC000236951818 553072727 /nfs/dbraw/zinc/07/27/27/553072727.db2.gz JJBNIXUSXLFJTP-VIFPVBQESA-N 1 0 383.027 2.730 20 0 GFADRO CN(C(=O)c1ccc(Br)o1)c1ccccc1C(=O)NCCCC[NH3+] ZINC000237083953 553074201 /nfs/dbraw/zinc/07/42/01/553074201.db2.gz IFUIRPYFBZDKBH-UHFFFAOYSA-N 1 0 394.269 2.787 20 0 GFADRO C[NH2+]CC1CCN(C(=O)c2cnn(-c3ccc(Br)cc3)c2)CC1 ZINC000237093089 553074467 /nfs/dbraw/zinc/07/44/67/553074467.db2.gz PWOFTYBEOHQMRY-UHFFFAOYSA-N 1 0 377.286 2.706 20 0 GFADRO C[NH2+]C[C@@H]1CCCN(C(=O)c2c(F)cccc2I)C1 ZINC000237195941 553075839 /nfs/dbraw/zinc/07/58/39/553075839.db2.gz VJJDMJQXOCQUOT-JTQLQIEISA-N 1 0 376.213 2.502 20 0 GFADRO C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)CCc1nc(-c2cc(Br)cs2)no1 ZINC000237472970 553078268 /nfs/dbraw/zinc/07/82/68/553078268.db2.gz FKDVHLNUZYVOPB-KOLCDFICSA-N 1 0 399.314 2.831 20 0 GFADRO C[C@@H](NC(=O)C1(C[NH3+])CCCC1)c1cc2c(cc1Br)OCCO2 ZINC000237486247 553078282 /nfs/dbraw/zinc/07/82/82/553078282.db2.gz OBNIEMLZUJKAGT-LLVKDONJSA-N 1 0 383.286 2.917 20 0 GFADRO C[C@@](C[NH3+])(NC(=O)c1ccc(Cl)c(I)c1)C1CC1 ZINC000237638227 553079996 /nfs/dbraw/zinc/07/99/96/553079996.db2.gz JLCHQVRCWUWTOK-ZDUSSCGKSA-N 1 0 378.641 2.802 20 0 GFADRO O=C(N[C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1)[C@H]1CCCC[NH2+]1 ZINC000237708042 553080387 /nfs/dbraw/zinc/08/03/87/553080387.db2.gz XSUAVPIYWGKOHF-WCQYABFASA-N 1 0 376.810 2.591 20 0 GFADRO C[C@H]1CCCN(C(=O)c2ccc(I)c(F)c2)[C@H]1C[NH3+] ZINC000237715085 553081167 /nfs/dbraw/zinc/08/11/67/553081167.db2.gz YDVGEGIOBPKWTO-ZANVPECISA-N 1 0 376.213 2.630 20 0 GFADRO Cc1cc(S(=O)(=O)NCCC[NH2+]Cc2cccnc2)ccc1Br ZINC000237786666 553081658 /nfs/dbraw/zinc/08/16/58/553081658.db2.gz XTMFXKWLHQOYOG-UHFFFAOYSA-N 1 0 398.326 2.611 20 0 GFADRO O=C(NC[C@H]1CCCN(C(=O)c2cccc(Cl)c2Cl)C1)[C@H]1CCC[NH2+]1 ZINC000237837419 553083038 /nfs/dbraw/zinc/08/30/38/553083038.db2.gz PNEDXHJKHHCRIG-IUODEOHRSA-N 1 0 384.307 2.714 20 0 GFADRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)c1cc(=O)c2cc(Br)ccc2[nH]1 ZINC000237889662 553083478 /nfs/dbraw/zinc/08/34/78/553083478.db2.gz FYGPDTSTWVZSQJ-GWCFXTLKSA-N 1 0 378.270 2.538 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H](C(=O)N2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)C1 ZINC000237861656 553083484 /nfs/dbraw/zinc/08/34/84/553083484.db2.gz BTPMZQBCJLEBLC-TZMCWYRMSA-N 1 0 384.307 2.795 20 0 GFADRO [NH3+]C1(C(=O)N[C@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)CCCC1 ZINC000237949373 553083984 /nfs/dbraw/zinc/08/39/84/553083984.db2.gz UPSNHYSYQYSDKL-NSHDSACASA-N 1 0 376.810 2.720 20 0 GFADRO C[N@H+](C[C@H](O)COCc1ccco1)[C@H](CO)c1cccc(Br)c1 ZINC000245852824 553098384 /nfs/dbraw/zinc/09/83/84/553098384.db2.gz DDUBSQYBLZKVMW-DOTOQJQBSA-N 1 0 384.270 2.585 20 0 GFADRO CCCC(=O)NC[C@@H]1CCCN([C@@H](C(N)=O)c2cccc(Br)c2)C1 ZINC000245933145 553099691 /nfs/dbraw/zinc/09/96/91/553099691.db2.gz YXCUUTBWTZWKRH-SUMWQHHRSA-N 1 0 396.329 2.604 20 0 GFADRO COCCO[C@H]1CCC[N@H+](C[C@@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000246004786 553100872 /nfs/dbraw/zinc/10/08/72/553100872.db2.gz YQRSHSOTHVGCFE-CABCVRRESA-N 1 0 378.296 2.861 20 0 GFADRO CN(Cc1cc(Br)cs1)C(=O)C[N@@H+]1CC[C@@H]2OCCC[C@H]2C1 ZINC000246413435 553107776 /nfs/dbraw/zinc/10/77/76/553107776.db2.gz ACMNSSZQOZPMMD-WFASDCNBSA-N 1 0 387.343 2.970 20 0 GFADRO CC[C@H]1CN(C(=O)c2cc(Cl)c(Cl)cc2OC)CC[N@@H+]1C[C@H](C)O ZINC000246536743 553109179 /nfs/dbraw/zinc/10/91/79/553109179.db2.gz XFPNEXXEVYCRHK-RYUDHWBXSA-N 1 0 375.296 2.919 20 0 GFADRO C[C@H](Cc1cccc(Br)c1)NC(=O)N[C@H](C)[C@H](C)N1CCOCC1 ZINC000246529575 553109598 /nfs/dbraw/zinc/10/95/98/553109598.db2.gz WINVNNLMRPBVKW-KFWWJZLASA-N 1 0 398.345 2.789 20 0 GFADRO O=C([C@@H]1C[C@H]1c1cccc(Br)c1)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246816621 553113400 /nfs/dbraw/zinc/11/34/00/553113400.db2.gz SHZZDJYWTDLTQY-JCGIZDLHSA-N 1 0 393.325 2.733 20 0 GFADRO CC[S@](=O)[C@@H]1CCC[C@H]([NH2+][C@H](C)c2ccc(S(C)(=O)=O)c(F)c2)C1 ZINC000246967160 553116386 /nfs/dbraw/zinc/11/63/86/553116386.db2.gz IEWSNMARFOIDHW-FCMYCLRBSA-N 1 0 375.531 2.960 20 0 GFADRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C[C@@H]1Sc2ccc(Cl)cc2NC1=O ZINC000247357261 553121215 /nfs/dbraw/zinc/12/12/15/553121215.db2.gz JZEVZPKMNATBEL-WPGHFRTFSA-N 1 0 381.929 2.942 20 0 GFADRO Cc1cc(S(=O)(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)sc1Br ZINC000247504593 553123248 /nfs/dbraw/zinc/12/32/48/553123248.db2.gz MQFSUZQJKMECRG-VXGBXAGGSA-N 1 0 393.372 2.924 20 0 GFADRO COCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](Cc2ccc(OC)c(Br)c2)C1 ZINC000247821047 553125701 /nfs/dbraw/zinc/12/57/01/553125701.db2.gz DAOBGFSUUBDWHJ-UKRRQHHQSA-N 1 0 399.329 2.821 20 0 GFADRO CC[C@@H]1CN([C@H](C)C(=O)Nc2ccc(Br)cc2)CC[N@@H+]1C[C@@H](C)O ZINC000247806887 553125725 /nfs/dbraw/zinc/12/57/25/553125725.db2.gz SXLVTNJWYDTTMV-CKEIUWERSA-N 1 0 398.345 2.553 20 0 GFADRO Cc1ccc(S(=O)(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c(Br)c1 ZINC000247942555 553126739 /nfs/dbraw/zinc/12/67/39/553126739.db2.gz GONIQIALNSMXEP-ZFWWWQNUSA-N 1 0 387.343 2.862 20 0 GFADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C2(c3cccc(Br)c3)CC2)C1 ZINC000248229254 553128082 /nfs/dbraw/zinc/12/80/82/553128082.db2.gz KJJSSRCJJLYHJS-QGZVFWFLSA-N 1 0 395.341 2.954 20 0 GFADRO C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@H]2CCc3c2cccc3Br)C[C@@H]1C ZINC000248699387 553133085 /nfs/dbraw/zinc/13/30/85/553133085.db2.gz ZKEXBQKHRRMGHC-DCGLDWPTSA-N 1 0 396.329 2.533 20 0 GFADRO CS(=O)(=O)N1CCC[C@H](C[NH2+][C@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)C1 ZINC000248982229 553137829 /nfs/dbraw/zinc/13/78/29/553137829.db2.gz FTSBNFKQQPEDIC-DQYPLSBCSA-N 1 0 390.908 2.570 20 0 GFADRO COC(=O)[C@@H]1CC[N@H+](C[C@H](O)COc2c(Cl)cccc2Cl)C[C@H]1C ZINC000249073915 553138930 /nfs/dbraw/zinc/13/89/30/553138930.db2.gz LLFXKVYSGLVNGA-FRRDWIJNSA-N 1 0 376.280 2.864 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccc(Cl)c(S(C)(=O)=O)c2)[C@@H](C)C1 ZINC000249084213 553138969 /nfs/dbraw/zinc/13/89/69/553138969.db2.gz SYANLRWJNZXIDC-WFASDCNBSA-N 1 0 387.933 2.938 20 0 GFADRO Cc1cc(Br)cc(NC(=O)C(=O)N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000249118592 553139599 /nfs/dbraw/zinc/13/95/99/553139599.db2.gz GIACZQHAMPCGNM-TZMCWYRMSA-N 1 0 396.329 2.933 20 0 GFADRO CS(=O)(=O)N1CC[C@H](C[NH2+][C@H](c2ccc(Br)s2)C2CC2)C1 ZINC000249454951 553143269 /nfs/dbraw/zinc/14/32/69/553143269.db2.gz DGSKPFNXSWBUPQ-YGRLFVJLSA-N 1 0 393.372 2.833 20 0 GFADRO CC[N@H+](C[C@@H](O)COc1ccccc1C(F)(F)F)C[C@@H](O)C(F)(F)F ZINC000249492826 553143892 /nfs/dbraw/zinc/14/38/92/553143892.db2.gz YUILSWRUCIHYRC-ZWNOBZJWSA-N 1 0 375.309 2.690 20 0 GFADRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2S(=O)(=O)c2ccc(CC(F)(F)F)cc2)C1 ZINC000249518288 553144527 /nfs/dbraw/zinc/14/45/27/553144527.db2.gz KPOQGZONVKOFPI-HOCLYGCPSA-N 1 0 376.444 2.896 20 0 GFADRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)Nc1ccc(Br)cc1 ZINC000253358331 553150910 /nfs/dbraw/zinc/15/09/10/553150910.db2.gz OJWOCUUONXVNII-OLZOCXBDSA-N 1 0 382.302 2.624 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CCCCN1S(=O)(=O)c1ccc(Cl)cc1Br ZINC000261601106 553154138 /nfs/dbraw/zinc/15/41/38/553154138.db2.gz AATIXQXXCATXTG-SKDRFNHKSA-N 1 0 381.723 2.993 20 0 GFADRO C[C@H]1CCN(C(=O)Cc2csc(NC(=O)c3cccs3)n2)[C@H](C[NH3+])C1 ZINC000261637364 553155271 /nfs/dbraw/zinc/15/52/71/553155271.db2.gz AMXDWVXGPWDJJK-AAEUAGOBSA-N 1 0 378.523 2.585 20 0 GFADRO C[C@]1(C[NH3+])CCN(C(=O)C2(c3ccc(Br)cc3)CCOCC2)C1 ZINC000261698729 553156460 /nfs/dbraw/zinc/15/64/60/553156460.db2.gz BJXDBDREHHWLNL-QGZVFWFLSA-N 1 0 381.314 2.695 20 0 GFADRO CS(=O)(=O)c1ccc(Br)c(-c2nc(C3([NH3+])CCCC3)no2)c1 ZINC000261692447 553156939 /nfs/dbraw/zinc/15/69/39/553156939.db2.gz HQLREFOMWNUBBW-UHFFFAOYSA-N 1 0 386.271 2.631 20 0 GFADRO C[C@@]1(C[NH3+])CCN(C(=O)CCC[S@](=O)c2ccc(Br)cc2)C1 ZINC000261782222 553159202 /nfs/dbraw/zinc/15/92/02/553159202.db2.gz GDTSVAGWBCGBCK-AOMKIAJQSA-N 1 0 387.343 2.534 20 0 GFADRO Cc1c(-c2nc(C3([NH3+])CCC3)no2)nnn1-c1cccc(Br)c1 ZINC000261808278 553159704 /nfs/dbraw/zinc/15/97/04/553159704.db2.gz PPOPBJHBUNDNRG-UHFFFAOYSA-N 1 0 375.230 2.726 20 0 GFADRO CCCC(=O)N[C@@H]1CCCN(C(=O)[C@@](C)([NH3+])c2ccc(Br)cc2)C1 ZINC000261828228 553160448 /nfs/dbraw/zinc/16/04/48/553160448.db2.gz TXAIDLLRHVLNCY-QAPCUYQASA-N 1 0 396.329 2.530 20 0 GFADRO C[NH2+][C@H](C)Cc1noc(-c2ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c2)n1 ZINC000261851124 553160943 /nfs/dbraw/zinc/16/09/43/553160943.db2.gz SUKLURKTOWNAHX-SNVBAGLBSA-N 1 0 386.905 2.617 20 0 GFADRO C[C@H](NC(=O)C1(n2cccn2)CC[NH2+]CC1)c1ccc(Br)cc1 ZINC000261924749 553163109 /nfs/dbraw/zinc/16/31/09/553163109.db2.gz KWYAMCWVOFTVGD-ZDUSSCGKSA-N 1 0 377.286 2.602 20 0 GFADRO [NH3+]CC1(C(=O)NCC2(c3ccc(Br)cc3)CCC2)CCOCC1 ZINC000261984307 553163966 /nfs/dbraw/zinc/16/39/66/553163966.db2.gz RZCIDTDBBOFNQS-UHFFFAOYSA-N 1 0 381.314 2.743 20 0 GFADRO [NH3+]C[C@@H]1CCCC[C@H]1NS(=O)(=O)c1cccc(Br)c1Cl ZINC000261986454 553164199 /nfs/dbraw/zinc/16/41/99/553164199.db2.gz DJPILJZRTURHFD-GXSJLCMTSA-N 1 0 381.723 2.898 20 0 GFADRO C[C@@H]([NH3+])c1ccc(CNS(=O)(=O)N(C)Cc2c(F)cccc2Cl)cc1 ZINC000262042538 553164765 /nfs/dbraw/zinc/16/47/65/553164765.db2.gz LLMRBUFKLAAODA-GFCCVEGCSA-N 1 0 385.892 2.965 20 0 GFADRO CCO[C@H]1C[C@@]([NH3+])(C(=O)N2CCN(Cc3ccc(Cl)s3)CC2)C1(C)C ZINC000262119738 553166616 /nfs/dbraw/zinc/16/66/16/553166616.db2.gz BXXIREXQTNGYMV-KBXCAEBGSA-N 1 0 385.961 2.578 20 0 GFADRO CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@H](c1cccs1)c1ccc(Cl)cc1 ZINC000262131308 553166653 /nfs/dbraw/zinc/16/66/53/553166653.db2.gz OAEJCRWECWUCSF-IRXDYDNUSA-N 1 0 379.913 2.707 20 0 GFADRO O=C([C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000262188024 553166921 /nfs/dbraw/zinc/16/69/21/553166921.db2.gz TWRHUBJNQBRLMN-WQVCFCJDSA-N 1 0 383.323 2.958 20 0 GFADRO Cc1c(C(=O)N2CC[C@@](C)(C[NH3+])C2)cnn1-c1cccc(Br)c1 ZINC000262185259 553166950 /nfs/dbraw/zinc/16/69/50/553166950.db2.gz ZJQGEFFCGJGWCT-KRWDZBQOSA-N 1 0 377.286 2.754 20 0 GFADRO [NH3+][C@@H]1CCC[C@H](C(=O)N2CCN(C(=O)c3cc4sccc4s3)CC2)C1 ZINC000262311534 553168795 /nfs/dbraw/zinc/16/87/95/553168795.db2.gz SRJIKAGHFLIPSH-QWHCGFSZSA-N 1 0 377.535 2.765 20 0 GFADRO C[NH2+]CCC(=O)N1CCN(c2ccc(Br)cc2C(F)(F)F)CC1 ZINC000262415350 553170236 /nfs/dbraw/zinc/17/02/36/553170236.db2.gz RANCWCVDSGZCPE-UHFFFAOYSA-N 1 0 394.235 2.726 20 0 GFADRO CC(C)C[C@](C)(C[NH3+])NC(=O)Cc1csc(NC(=O)c2cccs2)n1 ZINC000262644858 553173379 /nfs/dbraw/zinc/17/33/79/553173379.db2.gz UMNLKTISEVGDHA-QGZVFWFLSA-N 1 0 380.539 2.879 20 0 GFADRO Cc1cc(Br)ccc1CNC(=O)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000262694891 553173856 /nfs/dbraw/zinc/17/38/56/553173856.db2.gz AWZWFBYKCDQCBN-HNNXBMFYSA-N 1 0 377.286 2.809 20 0 GFADRO COCc1c(Br)cccc1NC(=O)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000262715801 553174435 /nfs/dbraw/zinc/17/44/35/553174435.db2.gz DNHHQMMOKPONRM-GFCCVEGCSA-N 1 0 393.285 2.969 20 0 GFADRO COCc1c(Br)cccc1NC(=O)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000262715802 553174705 /nfs/dbraw/zinc/17/47/05/553174705.db2.gz DNHHQMMOKPONRM-LBPRGKRZSA-N 1 0 393.285 2.969 20 0 GFADRO COC(=O)c1cc(S(=O)(=O)NC[C@@H]([NH3+])c2ccc(C(C)C)cc2)cs1 ZINC000262739474 553174761 /nfs/dbraw/zinc/17/47/61/553174761.db2.gz IJQZAHDRYSECGM-OAHLLOKOSA-N 1 0 382.507 2.636 20 0 GFADRO Cc1cc(S(=O)(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)c(C)cc1Br ZINC000262759650 553175290 /nfs/dbraw/zinc/17/52/90/553175290.db2.gz RDBGIIDOAGCBEW-CHWSQXEVSA-N 1 0 375.332 2.814 20 0 GFADRO COc1ccc(S(=O)(=O)N[C@@]2(C[NH3+])CCCC[C@@H]2C)c(Br)c1 ZINC000262770059 553175542 /nfs/dbraw/zinc/17/55/42/553175542.db2.gz LXOACMVZJZMKBR-XHDPSFHLSA-N 1 0 391.331 2.644 20 0 GFADRO O=S(=O)(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(Cl)cc1Br ZINC000262784118 553175773 /nfs/dbraw/zinc/17/57/73/553175773.db2.gz PTSLDECUUYQYEH-ZACCUICWSA-N 1 0 379.707 2.664 20 0 GFADRO CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)C[C@H](C[NH3+])OC ZINC000262934496 553178841 /nfs/dbraw/zinc/17/88/41/553178841.db2.gz TWQYALJACLGTBC-GFCCVEGCSA-N 1 0 376.284 2.534 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CNC(=O)[C@@H]1CCCC[C@]1(C)[NH3+] ZINC000263314907 553185848 /nfs/dbraw/zinc/18/58/48/553185848.db2.gz ZINPRZOSKNYRKJ-GUYCJALGSA-N 1 0 382.302 2.720 20 0 GFADRO CC[NH+]1CCN(CCC(=O)N[C@H](C)CCc2ccc(Br)cc2)CC1 ZINC000263701664 553191498 /nfs/dbraw/zinc/19/14/98/553191498.db2.gz SHRUDTNMQKMSAZ-MRXNPFEDSA-N 1 0 396.373 2.914 20 0 GFADRO O=C(c1ccc(Cl)c(I)c1)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000449734581 564199786 /nfs/dbraw/zinc/19/97/86/564199786.db2.gz RYLBIMNJCLRVCV-GXFFZTMASA-N 1 0 390.652 2.769 20 0 GFADRO CC[C@@H]([NH2+]CC(=O)NCC(=O)Nc1ccccc1Br)C(C)(C)C ZINC000539491214 564220675 /nfs/dbraw/zinc/22/06/75/564220675.db2.gz LLAAWANTDIYVCF-CQSZACIVSA-N 1 0 384.318 2.918 20 0 GFADRO CCN1CCN(C(=O)C(=O)Nc2ccc(Cl)cc2Br)[C@H](C)C1 ZINC000507401505 564227860 /nfs/dbraw/zinc/22/78/60/564227860.db2.gz KLBQGPCEWFKCPC-SNVBAGLBSA-N 1 0 388.693 2.594 20 0 GFADRO C[NH+](C)[C@H]1CCC[C@@H](NS(=O)(=O)Cc2ccc(Br)c(F)c2)C1 ZINC000451283574 564296165 /nfs/dbraw/zinc/29/61/65/564296165.db2.gz GEWIENVQNYJRLJ-OLZOCXBDSA-N 1 0 393.322 2.880 20 0 GFADRO C[C@H]([NH2+]CCN1CCO[C@H](C)C1)c1ccc(F)c(I)c1 ZINC000514842171 564458784 /nfs/dbraw/zinc/45/87/84/564458784.db2.gz ZFALJDNNFSRJPA-NEPJUHHUSA-N 1 0 392.256 2.802 20 0 GFADRO Cc1cc(F)c(Br)cc1S(=O)(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000480741441 564485826 /nfs/dbraw/zinc/48/58/26/564485826.db2.gz ZWOBUBNMHZZHOF-MNOVXSKESA-N 1 0 391.306 2.800 20 0 GFADRO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)c1cc(F)c(F)cc1I ZINC000597698719 565570319 /nfs/dbraw/zinc/57/03/19/565570319.db2.gz HUPGKGUESSDYFD-AMIZOPFISA-N 1 0 394.203 2.734 20 0 GFADRO [NH3+]CC[C@@H](NC(=O)N[C@@H]1CCc2c1ccc(F)c2Br)C(F)F ZINC000418244305 563214691 /nfs/dbraw/zinc/21/46/91/563214691.db2.gz CQNHSVZJTDGLKD-GHMZBOCLSA-N 1 0 380.208 2.857 20 0 GFADRO O=C(c1ccc(I)c(Cl)c1)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000373056643 563327020 /nfs/dbraw/zinc/32/70/20/563327020.db2.gz MAACJJCNSZVKSN-RNCFNFMXSA-N 1 0 390.652 2.769 20 0 GFADRO C[C@H](CNC(=O)COC1CC[NH2+]CC1)Sc1ccc(Br)cc1 ZINC000423179540 563358856 /nfs/dbraw/zinc/35/88/56/563358856.db2.gz HJUCZFSNNMPUSB-GFCCVEGCSA-N 1 0 387.343 2.815 20 0 GFADRO Fc1cc(Br)c(CN[C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)cc1F ZINC000423106033 563355297 /nfs/dbraw/zinc/35/52/97/563355297.db2.gz JFIAWEVNWLTBPQ-KNXALSJPSA-N 1 0 375.257 2.974 20 0 GFADRO O=C(c1ccc(I)cc1)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000423935907 563364073 /nfs/dbraw/zinc/36/40/73/563364073.db2.gz BFOQLRHYBZIDHJ-DZGCQCFKSA-N 1 0 384.261 2.895 20 0 GFADRO Cc1cccc(C(=O)N[C@H](CC[NH3+])C(F)(F)F)c1I ZINC000307824811 563435268 /nfs/dbraw/zinc/43/52/68/563435268.db2.gz SOTUFGGYAIROJR-SECBINFHSA-N 1 0 386.155 2.609 20 0 GFADRO C[C@H]1[C@H]([NH+](C)C)CCN1S(=O)(=O)c1c(Cl)cccc1Br ZINC000380777935 563515799 /nfs/dbraw/zinc/51/57/99/563515799.db2.gz RSZKGOUGUIKATG-JOYOIKCWSA-N 1 0 381.723 2.816 20 0 GFADRO CO[C@H]1CCN(C(=O)N[C@H](C)c2ccc(Br)cc2F)[C@H](C[NH3+])C1 ZINC000418209610 563213145 /nfs/dbraw/zinc/21/31/45/563213145.db2.gz FDOCFEGVEVKXDD-WXHSDQCUSA-N 1 0 388.281 2.797 20 0 GFADRO C[C@H]1CCN(C(=O)NCCC(=O)Nc2cc(Cl)cc(Cl)c2)C[C@@H]1C[NH3+] ZINC000418211054 563213378 /nfs/dbraw/zinc/21/33/78/563213378.db2.gz DHLIRJPTWOJISF-RYUDHWBXSA-N 1 0 387.311 2.948 20 0 GFADRO CO[C@H]1CCN(C(=O)N[C@@H](C)c2ccc(Br)cc2F)[C@H](C[NH3+])C1 ZINC000418209601 563213501 /nfs/dbraw/zinc/21/35/01/563213501.db2.gz FDOCFEGVEVKXDD-DRZSPHRISA-N 1 0 388.281 2.797 20 0 GFADRO C[C@H]1[NH2+]CCN(C(=O)NCCc2c[nH]c3cccc(Br)c23)[C@@H]1C ZINC000418200950 563213517 /nfs/dbraw/zinc/21/35/17/563213517.db2.gz QYIMKVFUXXGYPX-VXGBXAGGSA-N 1 0 379.302 2.865 20 0 GFADRO C[NH2+]CCC1CCN(C(=O)NCc2nc(C)c(Br)s2)CC1 ZINC000418234241 563214297 /nfs/dbraw/zinc/21/42/97/563214297.db2.gz IKNIEJYXJADMIL-UHFFFAOYSA-N 1 0 375.336 2.745 20 0 GFADRO C[C@](O)(CN1CCO[C@]2(CCOC2)C1)c1ccc(Br)cc1Cl ZINC000294729671 563214786 /nfs/dbraw/zinc/21/47/86/563214786.db2.gz WFNWHYYARSKACR-JKSUJKDBSA-N 1 0 390.705 2.801 20 0 GFADRO CC(C)c1ccc([C@@H]([NH3+])CNC(=O)NCc2nn(C)cc2Br)cc1 ZINC000418249153 563214982 /nfs/dbraw/zinc/21/49/82/563214982.db2.gz SZBPBZKFJDPYCD-HNNXBMFYSA-N 1 0 394.317 2.805 20 0 GFADRO C[C@H]1C[N@H+](CCCNC(=O)c2ccc(C(F)(F)F)nc2Cl)CCCO1 ZINC000277588165 563215351 /nfs/dbraw/zinc/21/53/51/563215351.db2.gz OXWDLRZLBQCQGP-NSHDSACASA-N 1 0 379.810 2.985 20 0 GFADRO O=C(Nc1cc(Cl)cc(Cl)c1)[C@H]1CCCN1C(=O)NC1CC[NH2+]CC1 ZINC000418303856 563215644 /nfs/dbraw/zinc/21/56/44/563215644.db2.gz DVTVVNSACSDEEI-OAHLLOKOSA-N 1 0 385.295 2.858 20 0 GFADRO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)C[NH2+][C@@H]1CCOC[C@H]1C ZINC000277616934 563216734 /nfs/dbraw/zinc/21/67/34/563216734.db2.gz YHRAGNZZMJSAEX-NOZJJQNGSA-N 1 0 375.252 2.733 20 0 GFADRO [NH3+]C1CCC(NC(=O)NCc2noc(-c3cccc(Br)c3)n2)CC1 ZINC000418399433 563217325 /nfs/dbraw/zinc/21/73/25/563217325.db2.gz KYDYRJGRUXNNRM-UHFFFAOYSA-N 1 0 394.273 2.568 20 0 GFADRO [NH3+]C[C@H](NC(=O)N1CCO[C@@H](c2cc(F)c(Cl)cc2Cl)C1)C1CC1 ZINC000418412762 563217373 /nfs/dbraw/zinc/21/73/73/563217373.db2.gz YHBCLBCMGDULMB-LSDHHAIUSA-N 1 0 376.259 2.953 20 0 GFADRO Cn1cc(Br)c(C(=O)N(Cc2ccco2)C2CC[NH+](C)CC2)n1 ZINC000294803889 563217780 /nfs/dbraw/zinc/21/77/80/563217780.db2.gz PCHXOYJHDWIWET-UHFFFAOYSA-N 1 0 381.274 2.512 20 0 GFADRO COc1cc(C[NH2+][C@@H]2CCOC[C@@H]2C)cc(I)c1OC ZINC000277635493 563217986 /nfs/dbraw/zinc/21/79/86/563217986.db2.gz CMNFJGKKKUNCGC-GXFFZTMASA-N 1 0 391.249 2.823 20 0 GFADRO [NH3+][C@H](CNC(=O)N1CCC(Oc2cccc(Br)c2)CC1)C1CC1 ZINC000418503010 563218661 /nfs/dbraw/zinc/21/86/61/563218661.db2.gz WJRYTMXKWOFBNA-MRXNPFEDSA-N 1 0 382.302 2.739 20 0 GFADRO [NH3+][C@H]1CCC[C@H](NC(=O)N2CCN(Cc3ccc(Br)cc3)CC2)C1 ZINC000418574003 563219865 /nfs/dbraw/zinc/21/98/65/563219865.db2.gz VAOWRWHPKPGZEC-IRXDYDNUSA-N 1 0 395.345 2.546 20 0 GFADRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N[C@H](CO)c1ccc(Cl)cc1C(F)(F)F ZINC000418573700 563220072 /nfs/dbraw/zinc/22/00/72/563220072.db2.gz LMLUKRAPYWJTMZ-OWYVNGRQSA-N 1 0 379.810 2.689 20 0 GFADRO COCCN(Cc1ccc(Br)s1)C(=O)NCC1=CC[NH2+]CC1 ZINC000418537375 563220115 /nfs/dbraw/zinc/22/01/15/563220115.db2.gz JAESGRHUVXPPOF-UHFFFAOYSA-N 1 0 388.331 2.588 20 0 GFADRO COCCN(Cc1ccc(Br)s1)C(=O)N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000418596228 563220768 /nfs/dbraw/zinc/22/07/68/563220768.db2.gz HCHGEPGHVCUBII-NWDGAFQWSA-N 1 0 390.347 2.809 20 0 GFADRO COCCN(Cc1cc(Br)cs1)C(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000418587187 563220940 /nfs/dbraw/zinc/22/09/40/563220940.db2.gz GKIVQUYBHWSRBW-SMDDNHRTSA-N 1 0 390.347 2.667 20 0 GFADRO COCCN(Cc1cc(Br)cs1)C(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000418595241 563220948 /nfs/dbraw/zinc/22/09/48/563220948.db2.gz GFEKGFHQLLVGLV-DGCLKSJQSA-N 1 0 390.347 2.809 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H](NC(=O)NCc2noc(-c3cccc(Br)c3)n2)C1 ZINC000418584243 563220970 /nfs/dbraw/zinc/22/09/70/563220970.db2.gz OCKXINVPGOGSGU-CHWSQXEVSA-N 1 0 394.273 2.568 20 0 GFADRO COCC1(CNC(=O)NC2(c3cccc(Br)c3)CC2)CC[NH2+]CC1 ZINC000418637743 563221295 /nfs/dbraw/zinc/22/12/95/563221295.db2.gz KGIQBOJHKWXXED-UHFFFAOYSA-N 1 0 396.329 2.754 20 0 GFADRO COCC1(CNC(=O)N(C)CCc2cccc(Br)c2)CC[NH2+]CC1 ZINC000418642707 563221616 /nfs/dbraw/zinc/22/16/16/563221616.db2.gz RXIUUVPSLCCWQQ-UHFFFAOYSA-N 1 0 398.345 2.649 20 0 GFADRO CC(C)(COc1ncccc1Br)NC(=O)NCCC1=CC[NH2+]CC1 ZINC000418642960 563221626 /nfs/dbraw/zinc/22/16/26/563221626.db2.gz OZJJIKSVDSJPJG-UHFFFAOYSA-N 1 0 397.317 2.611 20 0 GFADRO COCC1(CNC(=O)NC(C)(C)c2ccccc2Br)CC[NH2+]CC1 ZINC000418640817 563221638 /nfs/dbraw/zinc/22/16/38/563221638.db2.gz PAQVJUWKFDECTD-UHFFFAOYSA-N 1 0 398.345 3.000 20 0 GFADRO CC1(c2ccc(Br)cc2)CCN(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000418673184 563222329 /nfs/dbraw/zinc/22/23/29/563222329.db2.gz OLJBLKALNSWDLW-ZSHCYNCHSA-N 1 0 378.314 2.730 20 0 GFADRO CC[C@H]([NH3+])CNC(=O)N1CCN(c2ccc(C(F)(F)F)cc2Cl)CC1 ZINC000418708438 563222778 /nfs/dbraw/zinc/22/27/78/563222778.db2.gz JGPOIGLBBBCVFM-LBPRGKRZSA-N 1 0 378.826 2.928 20 0 GFADRO CN(C(=O)[C@@H]1SCCc2sccc21)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000369728427 563223156 /nfs/dbraw/zinc/22/31/56/563223156.db2.gz ZNJDGZAGTXOKBE-CRAIPNDOSA-N 1 0 379.595 2.705 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H](CNC(=O)N[C@@H](CCO)c2ccccc2Br)C1 ZINC000418735797 563223524 /nfs/dbraw/zinc/22/35/24/563223524.db2.gz WRGKKGVMINUVHA-IOASZLSFSA-N 1 0 384.318 2.689 20 0 GFADRO O=C(N[C@@H]1C[NH2+]CCC1(F)F)N1CCc2c(Br)ccc(F)c2C1 ZINC000418762930 563225021 /nfs/dbraw/zinc/22/50/21/563225021.db2.gz MWEMZWORWLMHOY-CYBMUJFWSA-N 1 0 392.219 2.653 20 0 GFADRO CC(C)CN(Cc1ccccc1Br)C(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000418772516 563225268 /nfs/dbraw/zinc/22/52/68/563225268.db2.gz WTNUWXPAUFEVGZ-INIZCTEOSA-N 1 0 397.361 2.520 20 0 GFADRO C[C@H]1C[C@@H](N(C)C(=O)c2cccnc2-n2cc(Br)cn2)CC[N@@H+]1C ZINC000295014145 563225493 /nfs/dbraw/zinc/22/54/93/563225493.db2.gz QDBAOJDEYRUZQX-JSGCOSHPSA-N 1 0 392.301 2.585 20 0 GFADRO Cc1c(Br)cc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)c(=O)n1C ZINC000277769752 563225541 /nfs/dbraw/zinc/22/55/41/563225541.db2.gz KZKLOQKSQHHLET-KGLIPLIRSA-N 1 0 396.329 2.544 20 0 GFADRO O=C(N[C@H]1C[NH2+]CCC1(F)F)N1CCc2cc(Br)cc(F)c21 ZINC000418779623 563225599 /nfs/dbraw/zinc/22/55/99/563225599.db2.gz ZLQCHQWKYFVDQZ-NSHDSACASA-N 1 0 378.192 2.658 20 0 GFADRO CC(C)CN(Cc1ccccc1Br)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000418778613 563225933 /nfs/dbraw/zinc/22/59/33/563225933.db2.gz ZXIDLQHQDDNWFO-OAHLLOKOSA-N 1 0 384.318 2.605 20 0 GFADRO CN(C(=O)c1cc(Br)nn1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000277781117 563226066 /nfs/dbraw/zinc/22/60/66/563226066.db2.gz ZDTFNGHVGJNCDL-AWEZNQCLSA-N 1 0 377.286 2.529 20 0 GFADRO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)C(=O)N[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000418823448 563226613 /nfs/dbraw/zinc/22/66/13/563226613.db2.gz YDHJNUJVBRPTAW-SQWYCQTGSA-N 1 0 384.307 2.599 20 0 GFADRO C[C@@H](Cn1cc(Br)cn1)[NH2+]CCc1cnc2c(Cl)cnn2c1 ZINC000295058379 563227377 /nfs/dbraw/zinc/22/73/77/563227377.db2.gz GIZWADNRRIXXOS-JTQLQIEISA-N 1 0 383.681 2.563 20 0 GFADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+][C@@H](C)CC(C)(C)O ZINC000295055254 563227501 /nfs/dbraw/zinc/22/75/01/563227501.db2.gz NTGLEIUFRXCNML-NWDGAFQWSA-N 1 0 387.318 2.602 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+][C@H](C)CC(C)(C)O ZINC000295055251 563227630 /nfs/dbraw/zinc/22/76/30/563227630.db2.gz NTGLEIUFRXCNML-NEPJUHHUSA-N 1 0 387.318 2.602 20 0 GFADRO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N[C@@H](C)c1cc(F)c(Cl)cc1Cl ZINC000418856963 563227882 /nfs/dbraw/zinc/22/78/82/563227882.db2.gz XYKAAIVWQPCUEK-VHSXEESVSA-N 1 0 378.275 2.799 20 0 GFADRO [NH3+]C[C@H]1CC[C@H](NC(=O)C(=O)N[C@H]2C[C@H](c3ccc(Cl)c(Cl)c3)C2)C1 ZINC000418889455 563229658 /nfs/dbraw/zinc/22/96/58/563229658.db2.gz HQUJFDLLSQTSDL-PYJNHQTQSA-N 1 0 384.307 2.599 20 0 GFADRO C[N@H+](Cc1ccc(Br)c2cccnc12)[C@H]1CCN2CCO[C@H]1C2 ZINC000295143390 563230938 /nfs/dbraw/zinc/23/09/38/563230938.db2.gz QFLHSOHMFCABPU-IRXDYDNUSA-N 1 0 376.298 2.902 20 0 GFADRO [NH3+]C1(CNC(=O)C(=O)N[C@@H]2CCc3c2ccc(Cl)c3Cl)CCCCC1 ZINC000419089044 563233178 /nfs/dbraw/zinc/23/31/78/563233178.db2.gz CKZDXAAQRDUFEU-CQSZACIVSA-N 1 0 384.307 2.875 20 0 GFADRO C[NH2+]C[C@H]1CCCN(C(=O)C(=O)N[C@@H]2CCc3c2ccc(Cl)c3Cl)C1 ZINC000419096500 563233222 /nfs/dbraw/zinc/23/32/22/563233222.db2.gz LSMNKKJMDCZJQS-IAQYHMDHSA-N 1 0 384.307 2.555 20 0 GFADRO [NH3+]C[C@H](NC(=O)C(=O)N[C@H]1CCc2c1ccc(Cl)c2Cl)C1CCCC1 ZINC000419100345 563233912 /nfs/dbraw/zinc/23/39/12/563233912.db2.gz PYCOVNKTQINWQB-GJZGRUSLSA-N 1 0 384.307 2.731 20 0 GFADRO CO[C@H](C[NH2+][C@@H](C(N)=O)c1ccc(Br)cc1)Cc1ccccc1 ZINC000419213957 563235343 /nfs/dbraw/zinc/23/53/43/563235343.db2.gz JRDIJRGNQFROPP-DLBZAZTESA-N 1 0 377.282 2.823 20 0 GFADRO [NH3+]C[C@@H](NC(=O)C(=O)N[C@@H]1CCSc2ccc(Cl)cc21)C1CCCC1 ZINC000419216459 563235426 /nfs/dbraw/zinc/23/54/26/563235426.db2.gz NSYMQFMBYVTHKN-HUUCEWRRSA-N 1 0 381.929 2.627 20 0 GFADRO O=S(=O)(c1c(F)c(F)c(F)c(F)c1F)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000370231606 563237184 /nfs/dbraw/zinc/23/71/84/563237184.db2.gz DWFORSZLOGOGCG-IUCAKERBSA-N 1 0 384.370 2.535 20 0 GFADRO NC(=O)[C@H]([NH2+][C@H]1CCN(c2ccc(F)cc2)C1)c1ccc(Br)cc1 ZINC000419332371 563237223 /nfs/dbraw/zinc/23/72/23/563237223.db2.gz HPNOJOVJORNWCL-DOTOQJQBSA-N 1 0 392.272 2.983 20 0 GFADRO CC(C)(CNC(=O)C(=O)N[C@@H]1CCCC[NH2+]C1)c1ccc(Cl)c(Cl)c1 ZINC000419352044 563238698 /nfs/dbraw/zinc/23/86/98/563238698.db2.gz AEFPTYFIITXNBZ-CYBMUJFWSA-N 1 0 386.323 2.646 20 0 GFADRO CC(C)(CNC(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])C1)c1ccc(Cl)c(Cl)c1 ZINC000419353414 563238706 /nfs/dbraw/zinc/23/87/06/563238706.db2.gz CFVGLLNMNXOKAD-AAEUAGOBSA-N 1 0 386.323 2.631 20 0 GFADRO C[C@H](CNS(=O)(=O)C[C@@H]1CCCC1(F)F)N1CCc2sccc2C1 ZINC000295259943 563239318 /nfs/dbraw/zinc/23/93/18/563239318.db2.gz XZJQZKNJAUVPOX-OCCSQVGLSA-N 1 0 378.510 2.850 20 0 GFADRO O=C(NCc1ccccc1Br)N1CCC[C@H]1C[N@H+]1CCC[C@@H]1CO ZINC000370302491 563239377 /nfs/dbraw/zinc/23/93/77/563239377.db2.gz WUINEAPJMYKFTF-JKSUJKDBSA-N 1 0 396.329 2.580 20 0 GFADRO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)NC[C@@H](C)c2c(Cl)cccc2Cl)C1 ZINC000419521977 563241084 /nfs/dbraw/zinc/24/10/84/563241084.db2.gz SUFOANGGCSIMTE-OLZOCXBDSA-N 1 0 386.323 2.671 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)Cc1cc[nH]c(=O)c1Br)c1ccc(F)cc1 ZINC000278133077 563242209 /nfs/dbraw/zinc/24/22/09/563242209.db2.gz MRRXUWNDNZDMMI-CQSZACIVSA-N 1 0 396.260 2.650 20 0 GFADRO Cc1nc(C(F)(F)F)c(CN2CCC[C@@H](C[NH+]3CCN(C)CC3)C2)s1 ZINC000370393467 563242487 /nfs/dbraw/zinc/24/24/87/563242487.db2.gz BTMBZGSHFCUHTL-AWEZNQCLSA-N 1 0 376.492 2.930 20 0 GFADRO C[C@@H](NC(=O)C(=O)N1CC[NH2+]CC1)c1ccc(-c2ccc(Cl)cc2)s1 ZINC000419607853 563243216 /nfs/dbraw/zinc/24/32/16/563243216.db2.gz BLVONYWPXMTFDL-GFCCVEGCSA-N 1 0 377.897 2.678 20 0 GFADRO CC[N@@H+]1CCC[C@@H](CN(C)c2ncncc2Br)[C@@H]1c1cnn(C)c1 ZINC000370411592 563243431 /nfs/dbraw/zinc/24/34/31/563243431.db2.gz ARULIAGYQIGZHH-XJKSGUPXSA-N 1 0 393.333 2.882 20 0 GFADRO C[C@@H](NC(=O)C(=O)N1CC[C@@H]([NH3+])C1)c1ccc(-c2ccc(Cl)cc2)s1 ZINC000419617683 563244079 /nfs/dbraw/zinc/24/40/79/563244079.db2.gz VNZJSJPWJDRJLB-BXUZGUMPSA-N 1 0 377.897 2.805 20 0 GFADRO CC[C@@H](C)N1CCN(S(=O)(=O)c2cc(Cl)c(NC(C)=O)cc2F)CC1 ZINC000295375445 563244615 /nfs/dbraw/zinc/24/46/15/563244615.db2.gz QAVZVRNZFUZEPF-LLVKDONJSA-N 1 0 391.896 2.542 20 0 GFADRO CS[C@H](C[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1)C(C)(C)C ZINC000419687329 563245297 /nfs/dbraw/zinc/24/52/97/563245297.db2.gz DPMWNAWNRVRZHD-CYBMUJFWSA-N 1 0 395.388 2.964 20 0 GFADRO COCCC[N@H+](CCCc1c(F)cccc1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000278242838 563246769 /nfs/dbraw/zinc/24/67/69/563246769.db2.gz OEPQNRFDQUZHQO-AWEZNQCLSA-N 1 0 377.909 2.937 20 0 GFADRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)NCC(C)(C)c1c(Cl)cccc1Cl ZINC000419699540 563246897 /nfs/dbraw/zinc/24/68/97/563246897.db2.gz WGWXGMVOAJTNSO-RYUDHWBXSA-N 1 0 386.323 2.583 20 0 GFADRO Cc1c(CNC(=O)C(=O)NC2CCC([NH3+])CC2)sc2ccc(Cl)cc12 ZINC000419707481 563247529 /nfs/dbraw/zinc/24/75/29/563247529.db2.gz KTIVAQNBGQXBCN-UHFFFAOYSA-N 1 0 379.913 2.865 20 0 GFADRO CC[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000419762730 563250127 /nfs/dbraw/zinc/25/01/27/563250127.db2.gz DXGIZZHANIZABK-WFASDCNBSA-N 1 0 386.323 2.547 20 0 GFADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)COc1ccc(Br)cc1 ZINC000278357766 563251900 /nfs/dbraw/zinc/25/19/00/563251900.db2.gz IMTKUTFHDMSAKE-CQSZACIVSA-N 1 0 397.313 2.540 20 0 GFADRO Cn1ncc(Br)c1CNc1cccc(C[NH+]2CCC(CO)CC2)c1 ZINC000278351778 563251945 /nfs/dbraw/zinc/25/19/45/563251945.db2.gz HZMHRHGOOGOXAP-UHFFFAOYSA-N 1 0 393.329 2.999 20 0 GFADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C[C@H](O)c1ccc(Br)cc1 ZINC000278381712 563253044 /nfs/dbraw/zinc/25/30/44/563253044.db2.gz CXGBCNWMPGDKMF-KDOFPFPSSA-N 1 0 383.330 2.668 20 0 GFADRO [NH3+]C1CCN(C(=O)[C@@H]2CCCN2c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000370726977 563253265 /nfs/dbraw/zinc/25/32/65/563253265.db2.gz PNOTZHPCWISJOV-ZDUSSCGKSA-N 1 0 376.810 2.672 20 0 GFADRO CSc1ccc([C@@H](CN2C(=O)N[C@H](CC(F)(F)F)C2=O)[NH+](C)C)cc1 ZINC000419971041 563254460 /nfs/dbraw/zinc/25/44/60/563254460.db2.gz VXQYOGYHNAXKRG-CHWSQXEVSA-N 1 0 375.416 2.884 20 0 GFADRO CC(C)CN(Cc1ccccc1Br)C(=O)C(=O)NC[C@@H]([NH3+])C(C)C ZINC000419979577 563255071 /nfs/dbraw/zinc/25/50/71/563255071.db2.gz PUKMEUHQXPFPNZ-MRXNPFEDSA-N 1 0 398.345 2.533 20 0 GFADRO C[C@@H]1C[N@H+](CCCNC(=O)c2cc3sc(N(C)C)nc3s2)CCCO1 ZINC000278427926 563255256 /nfs/dbraw/zinc/25/52/56/563255256.db2.gz GQPZLHUDQMYOQY-GFCCVEGCSA-N 1 0 382.555 2.655 20 0 GFADRO O=C(c1cnn(-c2ccc(Br)cc2)c1)N(C1CC1)C1CC[NH2+]CC1 ZINC000370788847 563255438 /nfs/dbraw/zinc/25/54/38/563255438.db2.gz SKJWYPUDHLSCCP-UHFFFAOYSA-N 1 0 389.297 2.991 20 0 GFADRO C[C@@H](CC[NH3+])NC(=O)C(=O)N1CCC(Cc2cc(Cl)ccc2Cl)CC1 ZINC000419993850 563255813 /nfs/dbraw/zinc/25/58/13/563255813.db2.gz KTTVECHMCRZYLL-LBPRGKRZSA-N 1 0 386.323 2.628 20 0 GFADRO CN(C(=O)Cc1ccc(Br)cc1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000370831921 563257369 /nfs/dbraw/zinc/25/73/69/563257369.db2.gz WOTFGBHMWWAORZ-GOSISDBHSA-N 1 0 394.357 2.619 20 0 GFADRO C[NH+](C)CC[C@](C)(O)CNC(=O)CCCCc1ccc(Br)cc1 ZINC000420054989 563257584 /nfs/dbraw/zinc/25/75/84/563257584.db2.gz YNHPHLDOCLDVDS-SFHVURJKSA-N 1 0 385.346 2.981 20 0 GFADRO NC(=O)c1ccccc1N1CC[C@@H]([NH2+]Cc2ccc(Br)s2)C1 ZINC000370829117 563257715 /nfs/dbraw/zinc/25/77/15/563257715.db2.gz DPPVMFODDSOAQA-LLVKDONJSA-N 1 0 380.311 2.978 20 0 GFADRO CCc1nc(CN2CCCN(C(=O)c3cc(N)nc(Cl)c3)CC2)cs1 ZINC000370868360 563258512 /nfs/dbraw/zinc/25/85/12/563258512.db2.gz NEEDZAGADGSBSZ-UHFFFAOYSA-N 1 0 379.917 2.684 20 0 GFADRO C[NH2+]C[C@H](C)CNc1cnn(-c2ccc(C(F)(F)F)cn2)c(=O)c1Cl ZINC000420199887 563259457 /nfs/dbraw/zinc/25/94/57/563259457.db2.gz MQTXIIKCKJCNGE-VIFPVBQESA-N 1 0 375.782 2.567 20 0 GFADRO Cn1cc([C@@H]2[C@H](CNC(=O)c3ccc(Br)o3)CCC[N@@H+]2C)cn1 ZINC000370922788 563259924 /nfs/dbraw/zinc/25/99/24/563259924.db2.gz LXUQVKXBEBHMBW-NHYWBVRUSA-N 1 0 381.274 2.589 20 0 GFADRO O=S(=O)(c1cccc(Br)c1F)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420466820 563264282 /nfs/dbraw/zinc/26/42/82/563264282.db2.gz RODRYGMUXIKRQO-YPMHNXCESA-N 1 0 391.306 2.741 20 0 GFADRO Cc1sc(Br)cc1S(=O)(=O)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420458205 563264590 /nfs/dbraw/zinc/26/45/90/563264590.db2.gz IRMYVHNIJGSUIN-RYUDHWBXSA-N 1 0 393.372 2.972 20 0 GFADRO CN1CCC([NH+]2CCC(CCNC(=O)c3ccc(Br)o3)CC2)CC1 ZINC000371093023 563265256 /nfs/dbraw/zinc/26/52/56/563265256.db2.gz IENHMCJZJLNYSM-UHFFFAOYSA-N 1 0 398.345 2.968 20 0 GFADRO COC(=O)c1scc(C)c1S(=O)(=O)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000420472720 563265314 /nfs/dbraw/zinc/26/53/14/563265314.db2.gz ZZGIOAJLONHIKS-AWEZNQCLSA-N 1 0 382.507 2.602 20 0 GFADRO C[C@@H]1CCC[N@@H+]1C1CCN([C@@H](C(N)=O)c2cccc(Br)c2)CC1 ZINC000371225717 563269360 /nfs/dbraw/zinc/26/93/60/563269360.db2.gz MNOLPKBJORSXJR-CXAGYDPISA-N 1 0 380.330 2.924 20 0 GFADRO COc1ccc(CN2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)cc1Br ZINC000371305737 563271764 /nfs/dbraw/zinc/27/17/64/563271764.db2.gz ZXQCVZORFYEGPP-MAUKXSAKSA-N 1 0 396.373 2.916 20 0 GFADRO O=C(C1CC[NH+](C2CC2)CC1)N1CC(=O)Nc2ccc(Br)cc21 ZINC000278827434 563272140 /nfs/dbraw/zinc/27/21/40/563272140.db2.gz UNOJQDHSJBCFBU-UHFFFAOYSA-N 1 0 378.270 2.609 20 0 GFADRO C[C@@H]1CN(C(=O)c2cc(Cl)c(N)c(Cl)c2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000371362828 563274286 /nfs/dbraw/zinc/27/42/86/563274286.db2.gz XZISJVKJIYTHRX-WBMJQRKESA-N 1 0 385.339 2.674 20 0 GFADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)Cc1ccc(Br)s1 ZINC000278878460 563275084 /nfs/dbraw/zinc/27/50/84/563275084.db2.gz OYBNXZWGSVWGLA-LBPRGKRZSA-N 1 0 387.343 2.765 20 0 GFADRO Cc1c([C@H](C)[NH2+]C[C@@]2(O)CCO[C@H]2C)nnn1-c1cccc(Br)c1 ZINC000278915983 563276112 /nfs/dbraw/zinc/27/61/12/563276112.db2.gz WDLVFKJEQASRJY-BNLOLNQZSA-N 1 0 395.301 2.529 20 0 GFADRO C[C@@H](Cc1ccccc1Br)NC(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000278916891 563276301 /nfs/dbraw/zinc/27/63/01/563276301.db2.gz CPEPFVBGWPQKKK-WCQYABFASA-N 1 0 377.286 2.610 20 0 GFADRO CCc1[nH]nc(C(=O)Nc2ccc(OCC[NH+](C)C)cc2)c1Br ZINC000279003489 563279593 /nfs/dbraw/zinc/27/95/93/563279593.db2.gz LWUQRRAFVHPNPS-UHFFFAOYSA-N 1 0 381.274 2.927 20 0 GFADRO O=C(NC1(c2ccc(Br)cc2)CC1)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000279021657 563280417 /nfs/dbraw/zinc/28/04/17/563280417.db2.gz ORTNXMXGBZLVEM-NSHDSACASA-N 1 0 375.270 2.668 20 0 GFADRO COc1ccc([C@H](C)NC(=O)c2cc([C@@H]3CC[NH2+]C3)n[nH]2)cc1Br ZINC000279080642 563282969 /nfs/dbraw/zinc/28/29/69/563282969.db2.gz VBIRCNCNASVZQD-CMPLNLGQSA-N 1 0 393.285 2.749 20 0 GFADRO O=C(N[C@H]1CCc2cc(Br)ccc21)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000279082247 563283002 /nfs/dbraw/zinc/28/30/02/563283002.db2.gz VHNWKZXOXVZDQY-RISCZKNCSA-N 1 0 375.270 2.666 20 0 GFADRO COC(=O)C[C@@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)c1cccc(Br)c1 ZINC000279227033 563288337 /nfs/dbraw/zinc/28/83/37/563288337.db2.gz PTGHJLWLEWOFTL-DUVNUKRYSA-N 1 0 397.313 2.900 20 0 GFADRO CCC[N@@H+](CC(=O)Nc1ccc(Cl)cc1Cl)C[C@@H](O)COCCOC ZINC000296491134 563289269 /nfs/dbraw/zinc/28/92/69/563289269.db2.gz KZWIDHMAYMCPOS-CQSZACIVSA-N 1 0 393.311 2.668 20 0 GFADRO C[C@@]1(C2CC[NH+](CCOc3ccc(Cl)cc3Cl)CC2)NC(=O)NC1=O ZINC000371843963 563289675 /nfs/dbraw/zinc/28/96/75/563289675.db2.gz GQTSEKZMENMZHH-KRWDZBQOSA-N 1 0 386.279 2.682 20 0 GFADRO C[C@@H]1CC[C@@H](O)C[N@@H+]1C[C@H](O)COc1ccc(Cl)cc1Br ZINC000420999455 563292853 /nfs/dbraw/zinc/29/28/53/563292853.db2.gz AMOIITUXOULSSI-RTXFEEFZSA-N 1 0 378.694 2.687 20 0 GFADRO O[C@@H](CN1CCOCC1)C[N@@H+]1CCCC[C@@H]1Cc1cccc(Br)c1 ZINC000421032135 563294300 /nfs/dbraw/zinc/29/43/00/563294300.db2.gz DOSXNYCRMAGLTF-MOPGFXCFSA-N 1 0 397.357 2.539 20 0 GFADRO C[C@H](Cn1cc(Br)cn1)[NH2+][C@@H]1CCN(C[C@@H]2CCCO2)C[C@H]1C ZINC000372047933 563294323 /nfs/dbraw/zinc/29/43/23/563294323.db2.gz VSDDAZISFBYRGD-TXCZRRACSA-N 1 0 385.350 2.513 20 0 GFADRO O=S1(=O)CCCN1C1CCC([NH2+][C@@H]2CSCCc3ccccc32)CC1 ZINC000372059574 563295152 /nfs/dbraw/zinc/29/51/52/563295152.db2.gz HJYLWKNGIPYSBX-FAFZWHIHSA-N 1 0 380.579 2.953 20 0 GFADRO C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@@H]1NC(=O)Nc1cccnc1Br ZINC000372104813 563295502 /nfs/dbraw/zinc/29/55/02/563295502.db2.gz BNDOAGAQAFZMKP-MCIONIFRSA-N 1 0 397.317 2.855 20 0 GFADRO Cc1c2cc(Br)ccc2oc1C(=O)NCCN1CCC(O)CC1 ZINC000296789747 563301745 /nfs/dbraw/zinc/30/17/45/563301745.db2.gz DIGFXNAAPXUGBY-UHFFFAOYSA-N 1 0 381.270 2.690 20 0 GFADRO O=S(=O)(C(F)F)N1CCC(C[NH2+][C@H]2CCCc3nc(Cl)ccc32)CC1 ZINC000296804541 563302290 /nfs/dbraw/zinc/30/22/90/563302290.db2.gz LQTLCEMPNBBDBQ-ZDUSSCGKSA-N 1 0 393.887 2.966 20 0 GFADRO Cc1cc(Br)cc(NC(=O)C(=O)NCC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000372376961 563304117 /nfs/dbraw/zinc/30/41/17/563304117.db2.gz GMLYTLUQZYMUDA-SFESLNEESA-N 1 0 394.313 2.685 20 0 GFADRO C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]CC1(S(C)(=O)=O)CC1 ZINC000279646812 563304950 /nfs/dbraw/zinc/30/49/50/563304950.db2.gz JYTAZDGYALROSY-NSHDSACASA-N 1 0 378.416 2.589 20 0 GFADRO C[NH+](C)C1CCC(NC(=O)C(=O)Nc2ccc(F)cc2Br)CC1 ZINC000421288756 563305071 /nfs/dbraw/zinc/30/50/71/563305071.db2.gz NPQXAHQPMUHVJJ-UHFFFAOYSA-N 1 0 386.265 2.516 20 0 GFADRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)Nc1cccc(Br)c1Cl ZINC000421308847 563306790 /nfs/dbraw/zinc/30/67/90/563306790.db2.gz YVDBMXPBVCGJOO-JTQLQIEISA-N 1 0 388.693 2.594 20 0 GFADRO Ic1cccc(OCCC[N@@H+]2CC[C@H](n3cncn3)C2)c1 ZINC000372483515 563307793 /nfs/dbraw/zinc/30/77/93/563307793.db2.gz VGCWWOZOVPZQCT-AWEZNQCLSA-N 1 0 398.248 2.599 20 0 GFADRO C[N@@H+]1CCC[C@H](CNC(=O)NC[C@](C)(O)C(F)(F)F)[C@@H]1c1cccs1 ZINC000372478200 563307897 /nfs/dbraw/zinc/30/78/97/563307897.db2.gz OWUIFTNYLJUBOW-KYOSRNDESA-N 1 0 379.448 2.744 20 0 GFADRO CCCOc1c(Br)cc(C[NH2+]CC2(CC(N)=O)CC2)cc1OC ZINC000421349634 563308120 /nfs/dbraw/zinc/30/81/20/563308120.db2.gz IWBQLIZHOSBTQC-UHFFFAOYSA-N 1 0 385.302 2.992 20 0 GFADRO COC(=O)c1ccc(C[NH2+]C[C@H]2CC[C@H](C(N)=O)CC2)c(Br)c1 ZINC000421351309 563308573 /nfs/dbraw/zinc/30/85/73/563308573.db2.gz NYGJSIDMNQDILT-HAQNSBGRSA-N 1 0 383.286 2.617 20 0 GFADRO O=C(Nc1ccnc(Br)c1)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000297025332 563312828 /nfs/dbraw/zinc/31/28/28/563312828.db2.gz QTKUKNJAHDZSQT-UHFFFAOYSA-N 1 0 397.317 2.953 20 0 GFADRO CCS(=O)(=O)c1ccc(CNC(=O)NCCC[N@@H+]2CCCC[C@@H]2C)s1 ZINC000279922208 563315210 /nfs/dbraw/zinc/31/52/10/563315210.db2.gz KLGGLEZBBSYAMJ-AWEZNQCLSA-N 1 0 387.571 2.605 20 0 GFADRO C[C@@H]1C[N@@H+](CCCNC(=O)N[C@@H](c2nccs2)C(F)(F)F)C[C@H](C)O1 ZINC000297118546 563316112 /nfs/dbraw/zinc/31/61/12/563316112.db2.gz XRPLTDRVBDVUCE-TUAOUCFPSA-N 1 0 380.436 2.545 20 0 GFADRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)c1cnnn1-c1c(Cl)cccc1Cl ZINC000279960126 563316561 /nfs/dbraw/zinc/31/65/61/563316561.db2.gz CDMGFRGKRGYGJM-NSHDSACASA-N 1 0 380.279 2.788 20 0 GFADRO CN(C(=O)C[C@H]1CSCC[NH2+]1)[C@@H](c1ccc(Cl)cc1)c1ncccn1 ZINC000372769956 563316636 /nfs/dbraw/zinc/31/66/36/563316636.db2.gz QILLXVPTSVYJQU-RDJZCZTQSA-N 1 0 376.913 2.773 20 0 GFADRO Cc1cc(S(=O)(=O)N(C)C2CC[NH+](C3CCOCC3)CC2)sc1Cl ZINC000372764884 563316727 /nfs/dbraw/zinc/31/67/27/563316727.db2.gz IJOXUVNVMYVCKD-UHFFFAOYSA-N 1 0 392.974 2.974 20 0 GFADRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)c1cc(I)c(F)cc1F ZINC000421715570 563320566 /nfs/dbraw/zinc/32/05/66/563320566.db2.gz YFKPKEDGHQQZAX-VIFPVBQESA-N 1 0 394.203 2.736 20 0 GFADRO O=S1(=O)CC[C@H]([NH2+]CCCC2(O)CCC2)c2cc(Br)ccc21 ZINC000421851555 563323344 /nfs/dbraw/zinc/32/33/44/563323344.db2.gz FZNLKVFITMQZTF-AWEZNQCLSA-N 1 0 388.327 2.952 20 0 GFADRO O=C(Nc1nc2cc(Br)ccn2n1)N1CC[NH+](C2CCCC2)CC1 ZINC000297362235 563324991 /nfs/dbraw/zinc/32/49/91/563324991.db2.gz RQPYPNPAXMHKSI-UHFFFAOYSA-N 1 0 393.289 2.584 20 0 GFADRO C[C@@H](NC(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccc(Br)cc1 ZINC000373048470 563326781 /nfs/dbraw/zinc/32/67/81/563326781.db2.gz VXDFGAMXRXXDSO-WQVCFCJDSA-N 1 0 382.302 2.673 20 0 GFADRO C[C@@H]1C[C@H](N(C)C(=O)NCCCCn2cc(Br)cn2)CC[N@@H+]1C ZINC000280206425 563327025 /nfs/dbraw/zinc/32/70/25/563327025.db2.gz FJAVXIBKLQLETR-UKRRQHHQSA-N 1 0 386.338 2.550 20 0 GFADRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)c1c(O)cnc2c(Br)cccc21 ZINC000422035335 563329204 /nfs/dbraw/zinc/32/92/04/563329204.db2.gz LBJPVVVHHNWSQR-NSHDSACASA-N 1 0 378.270 2.869 20 0 GFADRO COc1ccc(S(=O)(=O)N2CCC([NH2+]C[C@@]3(C)CCCS3)CC2)cc1 ZINC000373144277 563330048 /nfs/dbraw/zinc/33/00/48/563330048.db2.gz ZRLPHLPJKRZHFR-GOSISDBHSA-N 1 0 384.567 2.724 20 0 GFADRO CSc1ccc([C@@H](CNC(=O)NC[C@@](C)(O)C(F)(F)F)[NH+](C)C)cc1 ZINC000297634509 563331776 /nfs/dbraw/zinc/33/17/76/563331776.db2.gz YPUFXLBLIPFFRJ-UKRRQHHQSA-N 1 0 379.448 2.624 20 0 GFADRO O[C@]1(C[NH2+]Cc2c(F)ccc(I)c2F)CCSC1 ZINC000280432002 563337554 /nfs/dbraw/zinc/33/75/54/563337554.db2.gz XMKRTVBAIDFCRB-LBPRGKRZSA-N 1 0 385.217 2.527 20 0 GFADRO Brc1cc(NC2CC[NH+](C3CC3)CC2)cnc1N1CCOCC1 ZINC000298020443 563342429 /nfs/dbraw/zinc/34/24/29/563342429.db2.gz DQLAMQUAFWFVFT-UHFFFAOYSA-N 1 0 381.318 2.719 20 0 GFADRO C[C@@H]1C[C@H](C)N(S(=O)(=O)Cc2ccc(Br)cc2)C[C@@H]1C[NH3+] ZINC000422556117 563342718 /nfs/dbraw/zinc/34/27/18/563342718.db2.gz SCMPOQVRWMNOAN-DYEKYZERSA-N 1 0 375.332 2.584 20 0 GFADRO CC(C)(CC[NH3+])NC(=O)Nc1cc(F)c(I)c(F)c1 ZINC000422557309 563343353 /nfs/dbraw/zinc/34/33/53/563343353.db2.gz JOLALMDSXAZFKO-UHFFFAOYSA-N 1 0 383.180 2.818 20 0 GFADRO C[C@H]1C[N@H+](CCC(=O)Nc2ccc(Br)cc2)C[C@]2(CCOC2)O1 ZINC000280578913 563344636 /nfs/dbraw/zinc/34/46/36/563344636.db2.gz SOXDXZLRXUOHPX-GUYCJALGSA-N 1 0 383.286 2.658 20 0 GFADRO CC(C)(CC[NH3+])NC(=O)NCc1ccc(I)c(Cl)c1 ZINC000422618529 563344693 /nfs/dbraw/zinc/34/46/93/563344693.db2.gz LHYLVAXEZYSQFJ-UHFFFAOYSA-N 1 0 395.672 2.871 20 0 GFADRO Cc1ccc(F)c(NC(=O)C(=O)NC2CC[NH+](C3CC3)CC2)c1Br ZINC000280674881 563349090 /nfs/dbraw/zinc/34/90/90/563349090.db2.gz GDSUBCUZBXAFLA-UHFFFAOYSA-N 1 0 398.276 2.578 20 0 GFADRO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000423003503 563352218 /nfs/dbraw/zinc/35/22/18/563352218.db2.gz MJFSUKDBQBCAAG-UHFFFAOYSA-N 1 0 384.307 2.554 20 0 GFADRO CC(C)[C@@H](C(=O)N1CCN(C(=O)c2cccc(Cl)c2Cl)CC1)[C@@H](C)[NH3+] ZINC000422998305 563352352 /nfs/dbraw/zinc/35/23/52/563352352.db2.gz WKJYLSLXPKZNEG-IUODEOHRSA-N 1 0 386.323 2.897 20 0 GFADRO CN(Cc1cccc(Cl)c1Cl)C(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000423000220 563352422 /nfs/dbraw/zinc/35/24/22/563352422.db2.gz UUKLMMNZFOSEJY-CORIIIEPSA-N 1 0 384.307 2.538 20 0 GFADRO CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000423018019 563352989 /nfs/dbraw/zinc/35/29/89/563352989.db2.gz XXKAHSCSRHFFCT-UHFFFAOYSA-N 1 0 383.945 2.742 20 0 GFADRO NC(=O)C1CC[NH+](CCCCNC(=O)Nc2cccc(Br)c2)CC1 ZINC000298374191 563353241 /nfs/dbraw/zinc/35/32/41/563353241.db2.gz AAWNEIKIDDVWEX-UHFFFAOYSA-N 1 0 397.317 2.548 20 0 GFADRO CCOC(=O)[C@@H]1NCC[C@@H]1[NH2+]Cc1ccc(Br)cc1C(F)(F)F ZINC000423022772 563353377 /nfs/dbraw/zinc/35/33/77/563353377.db2.gz IKULDCHBDCFWAW-QWHCGFSZSA-N 1 0 395.219 2.851 20 0 GFADRO C[C@@H]([NH2+][C@H](C)c1ccc(Br)c(S(N)(=O)=O)c1)c1cccnc1 ZINC000280785570 563353662 /nfs/dbraw/zinc/35/36/62/563353662.db2.gz SOCBXKNFKGCJNA-GHMZBOCLSA-N 1 0 384.299 2.903 20 0 GFADRO C[C@H]([NH3+])[C@H]1COCC[C@@H]1NCc1ccc(Cl)cc1I ZINC000423091747 563354624 /nfs/dbraw/zinc/35/46/24/563354624.db2.gz YPRBQYOXIDGXIN-BHYNMZESSA-N 1 0 394.684 2.787 20 0 GFADRO Brc1ccc(C[N@@H+]2CC[C@H]3OCC[C@H]3C2)c(N2CCOCC2)c1 ZINC000373898248 563354702 /nfs/dbraw/zinc/35/47/02/563354702.db2.gz NKUMHOUIZNVPRW-MAUKXSAKSA-N 1 0 381.314 2.897 20 0 GFADRO [NH3+][C@@H](C(=O)N1CCC(C(=O)Nc2ccccc2Br)CC1)C1CCC1 ZINC000423123925 563356362 /nfs/dbraw/zinc/35/63/62/563356362.db2.gz FQIZNJQGCGYIHH-MRXNPFEDSA-N 1 0 394.313 2.754 20 0 GFADRO CCOC(=O)[C@@H]1NCC[C@@H]1[NH2+]CCc1ccc(Br)cc1Cl ZINC000423145596 563357024 /nfs/dbraw/zinc/35/70/24/563357024.db2.gz LNYLJJHSUDOVJB-UONOGXRCSA-N 1 0 375.694 2.528 20 0 GFADRO CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000423173979 563357948 /nfs/dbraw/zinc/35/79/48/563357948.db2.gz AUQUNGJWVFHSDJ-CYBMUJFWSA-N 1 0 386.323 2.929 20 0 GFADRO O=C(C[NH+]1CCC(n2cc(Br)cn2)CC1)NCc1ccccc1 ZINC000374010056 563358293 /nfs/dbraw/zinc/35/82/93/563358293.db2.gz LCEPVALKGDXKCI-UHFFFAOYSA-N 1 0 377.286 2.599 20 0 GFADRO Cc1cc(Br)ccc1CNC(=O)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000423193265 563358631 /nfs/dbraw/zinc/35/86/31/563358631.db2.gz VTAKMVQCOKOEHR-INIZCTEOSA-N 1 0 377.286 2.809 20 0 GFADRO CC(C)C[C@@H](C[NH3+])N[C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000423260409 563359265 /nfs/dbraw/zinc/35/92/65/563359265.db2.gz HJHLSKSNUKTFBZ-GXTWGEPZSA-N 1 0 375.332 2.631 20 0 GFADRO Cc1cccc(I)c1C(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000423739027 563363544 /nfs/dbraw/zinc/36/35/44/563363544.db2.gz HQIZKGHWZWCHEX-SECBINFHSA-N 1 0 386.155 2.609 20 0 GFADRO O=C(c1ccc(Br)c(OC(F)(F)F)c1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000423718299 563363613 /nfs/dbraw/zinc/36/36/13/563363613.db2.gz BPZGIJPCWZOIAZ-KOLCDFICSA-N 1 0 379.176 2.782 20 0 GFADRO O=C([C@H]1C[C@@]12CCc1cc(Br)ccc12)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000423721820 563363634 /nfs/dbraw/zinc/36/36/34/563363634.db2.gz FIJIFDHHHDQVEN-CNDLSXRNSA-N 1 0 375.310 2.863 20 0 GFADRO C[C@H]1CN(C(=O)C(=O)N2CCC(c3ccc(Cl)cc3Cl)CC2)C[C@H]1[NH3+] ZINC000423733151 563363638 /nfs/dbraw/zinc/36/36/38/563363638.db2.gz BJPZEQUOUVZGTR-MEDUHNTESA-N 1 0 384.307 2.505 20 0 GFADRO [NH2+]=C(NO)[C@@H]1CCCCN1Cc1nc(-c2ccc(Br)s2)no1 ZINC000374176027 563364728 /nfs/dbraw/zinc/36/47/28/563364728.db2.gz QDHYHGBRPGOVCK-QMMMGPOBSA-N 1 0 386.275 2.871 20 0 GFADRO Cc1cc(C(=O)N(C)[C@H](C[NH3+])C2CC2)nn1-c1ccc(Br)cc1 ZINC000423941883 563365059 /nfs/dbraw/zinc/36/50/59/563365059.db2.gz DJOYSXMXHLIACI-MRXNPFEDSA-N 1 0 377.286 2.753 20 0 GFADRO Cc1cnccc1CC[NH2+][C@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000281074231 563365452 /nfs/dbraw/zinc/36/54/52/563365452.db2.gz IOWXPLPIFQFTEN-GFCCVEGCSA-N 1 0 398.326 2.693 20 0 GFADRO Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@@H]2[NH2+]CC2([S@](C)=O)CCC2)cc1 ZINC000281078453 563365832 /nfs/dbraw/zinc/36/58/32/563365832.db2.gz OUXJDUUKXBJCEY-RHGYRFJNSA-N 1 0 383.579 2.971 20 0 GFADRO COc1cc(Br)c(C[NH2+][C@@H]2CCO[C@@]3(CCOC3)C2)cc1OC ZINC000374268241 563366659 /nfs/dbraw/zinc/36/66/59/563366659.db2.gz FMXBXFLTIKLDGP-DYVFJYSZSA-N 1 0 386.286 2.894 20 0 GFADRO C[C@H]1CCN(C(=O)c2cnn(-c3cccc(Br)c3)c2)C[C@H]1C[NH3+] ZINC000424000538 563367180 /nfs/dbraw/zinc/36/71/80/563367180.db2.gz BSYWTPBRSLRHAZ-QWHCGFSZSA-N 1 0 377.286 2.692 20 0 GFADRO COc1ccc(Br)cc1C(=O)CCC(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000424004911 563367284 /nfs/dbraw/zinc/36/72/84/563367284.db2.gz FIYCOBFBGHSRTE-STQMWFEESA-N 1 0 397.313 2.864 20 0 GFADRO [NH3+][C@@H]1CN(C(=O)COc2cccc(Br)c2)C[C@H]1c1cccc(F)c1 ZINC000424014007 563367334 /nfs/dbraw/zinc/36/73/34/563367334.db2.gz SPHKFOHCCWPVFD-DLBZAZTESA-N 1 0 393.256 2.920 20 0 GFADRO CN(C)C(=O)[C@H]([NH2+]CCCCn1cc(Br)cn1)c1ccccc1 ZINC000281145402 563367673 /nfs/dbraw/zinc/36/76/73/563367673.db2.gz ZVBWNMRINLHULM-MRXNPFEDSA-N 1 0 379.302 2.845 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)C2(c3cc(C(F)(F)F)ccc3Cl)CC2)CCCO1 ZINC000424029455 563367988 /nfs/dbraw/zinc/36/79/88/563367988.db2.gz XZRKEZWVDXDNEA-LBPRGKRZSA-N 1 0 376.806 2.967 20 0 GFADRO C[C@@H]1CN(C(=O)c2sccc2Br)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000374318114 563368217 /nfs/dbraw/zinc/36/82/17/563368217.db2.gz PCYULHKQLSYNHT-TZMCWYRMSA-N 1 0 386.359 2.609 20 0 GFADRO Cc1cc(=O)n2nc(C[N@@H+](C)Cc3cccc(Br)c3)sc2n1 ZINC000298847473 563368436 /nfs/dbraw/zinc/36/84/36/563368436.db2.gz KALUVKXHYCKKPV-UHFFFAOYSA-N 1 0 379.283 2.854 20 0 GFADRO Cc1sc2nc(CS[C@H](C)C(=O)NC(C)(C)CC[NH3+])[nH]c(=O)c2c1C ZINC000424055113 563368425 /nfs/dbraw/zinc/36/84/25/563368425.db2.gz HVBJBACGXIRAKU-LLVKDONJSA-N 1 0 382.555 2.879 20 0 GFADRO COc1cc(C(=O)N2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)cc(Br)c1OC ZINC000424080192 563370288 /nfs/dbraw/zinc/37/02/88/563370288.db2.gz VIJNPMZEEBLVBL-GVXVVHGQSA-N 1 0 385.302 2.912 20 0 GFADRO CCn1cc(C(=O)N2C[C@@H]([NH+]3CCCC3)[C@@H](SC)C2)c(C(F)(F)F)n1 ZINC000281289737 563371965 /nfs/dbraw/zinc/37/19/65/563371965.db2.gz MQQFAFDBCMADEE-OLZOCXBDSA-N 1 0 376.448 2.574 20 0 GFADRO CS(=O)(=O)CCCC[NH2+]Cc1cccc(Br)c1OC(F)F ZINC000424172086 563372607 /nfs/dbraw/zinc/37/26/07/563372607.db2.gz NHKSZPLBSRIOAP-UHFFFAOYSA-N 1 0 386.258 2.965 20 0 GFADRO CN1C(=O)CC[C@H]([NH2+]Cc2ccc(-c3ccc(Br)cc3)o2)C1=O ZINC000424200866 563373393 /nfs/dbraw/zinc/37/33/93/563373393.db2.gz GNARTEOCDPWNEG-AWEZNQCLSA-N 1 0 377.238 2.946 20 0 GFADRO Cc1ccc(I)c(C(=O)N2CCC3(C2)CC[NH2+]CC3)c1 ZINC000374513290 563374626 /nfs/dbraw/zinc/37/46/26/563374626.db2.gz ITRWMVMQFSDZJU-UHFFFAOYSA-N 1 0 384.261 2.815 20 0 GFADRO COC(=O)CC1CC([NH2+]C[C@@H](CO)Cc2cc(Br)ccc2F)C1 ZINC000424342549 563375908 /nfs/dbraw/zinc/37/59/08/563375908.db2.gz DHEUKGSBVNAGHO-AVERBVTBSA-N 1 0 388.277 2.671 20 0 GFADRO CO[C@H]1C[C@H]2C[C@@H]([NH2+]CCCNS(=O)(=O)c3ccccc3Cl)C[C@H]2C1 ZINC000424345133 563376088 /nfs/dbraw/zinc/37/60/88/563376088.db2.gz HNQCBQYKKCFHLA-GEEKYZPCSA-N 1 0 386.945 2.802 20 0 GFADRO COc1ncc(C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)cc1Br ZINC000424535460 563381027 /nfs/dbraw/zinc/38/10/27/563381027.db2.gz NPMZAQYOICJIGL-HNNXBMFYSA-N 1 0 378.270 2.885 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)NCc1noc(-c2cccs2)n1)c1cccs1 ZINC000299310278 563381256 /nfs/dbraw/zinc/38/12/56/563381256.db2.gz SDYNOTJFBQEUCV-NSHDSACASA-N 1 0 377.495 2.962 20 0 GFADRO COc1ncc(C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)cc1Br ZINC000424569639 563382533 /nfs/dbraw/zinc/38/25/33/563382533.db2.gz DCMXNHWRWGTTFH-ZDUSSCGKSA-N 1 0 384.299 2.947 20 0 GFADRO COc1cc(Br)c(CN2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)cc1O ZINC000374890784 563385205 /nfs/dbraw/zinc/38/52/05/563385205.db2.gz FAFSOAWQTCVQDJ-FRFSOERESA-N 1 0 399.329 2.847 20 0 GFADRO O=C(NCCC[NH+]1CCCC1)c1cc(F)ccc1I ZINC000299654298 563387683 /nfs/dbraw/zinc/38/76/83/563387683.db2.gz PHASKSMGBCOVAI-UHFFFAOYSA-N 1 0 376.213 2.646 20 0 GFADRO Cc1oc(Br)cc1C(=O)Nc1ccc(OC[C@H](O)C[NH+](C)C)cc1 ZINC000424712025 563388535 /nfs/dbraw/zinc/38/85/35/563388535.db2.gz JKZBRJJCYDZCQU-CYBMUJFWSA-N 1 0 397.269 2.904 20 0 GFADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)c3cc(=O)[nH]c4c(Br)cccc34)C[C@H]21 ZINC000375063310 563388989 /nfs/dbraw/zinc/38/89/89/563388989.db2.gz DRVNWNBBGPCBPX-IAQYHMDHSA-N 1 0 390.281 2.869 20 0 GFADRO Cc1sc(C(=O)NCCCC[N@@H+]2CCC[C@H]2CO)cc1Br ZINC000424735879 563389129 /nfs/dbraw/zinc/38/91/29/563389129.db2.gz JOVDIVPERVUPRU-LBPRGKRZSA-N 1 0 375.332 2.786 20 0 GFADRO CCOc1cc(C[NH2+]Cc2cnn(CCOC)c2)cc(Br)c1OC ZINC000281921445 563390556 /nfs/dbraw/zinc/39/05/56/563390556.db2.gz GWHZXVVMPPDBFY-UHFFFAOYSA-N 1 0 398.301 2.989 20 0 GFADRO CS[C@@H]1CN(C(=O)Cc2noc3ccc(Br)cc32)C[C@H]1[NH+](C)C ZINC000424758764 563390661 /nfs/dbraw/zinc/39/06/61/563390661.db2.gz VNMHLBFZEKTAQE-UKRRQHHQSA-N 1 0 398.326 2.637 20 0 GFADRO Cn1ncc(NC2CC[NH+](CC3CCCCC3)CC2)c(Br)c1=O ZINC000301227702 563397166 /nfs/dbraw/zinc/39/71/66/563397166.db2.gz GZSCOOVUUGZEIF-UHFFFAOYSA-N 1 0 383.334 2.999 20 0 GFADRO [NH3+][C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(S(=O)(=O)c2ccccc2)s1 ZINC000375259455 563397736 /nfs/dbraw/zinc/39/77/36/563397736.db2.gz CVIIKHYVBGEQDA-ZSOGYDGISA-N 1 0 376.503 2.675 20 0 GFADRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1Nc1cnn(C)c(=O)c1Br ZINC000301504364 563405035 /nfs/dbraw/zinc/40/50/35/563405035.db2.gz CCEOFJVCTVWQSK-ZFWWWQNUSA-N 1 0 391.313 2.865 20 0 GFADRO C[C@@H](Cn1cc(Br)cn1)[NH2+][C@H]1CCN(C(=O)Nc2ccccc2)C1 ZINC000282289404 563405376 /nfs/dbraw/zinc/40/53/76/563405376.db2.gz BVNBXQPBIQXEFW-BBRMVZONSA-N 1 0 392.301 2.930 20 0 GFADRO NC(=O)c1cnn2c1C[C@@H](C[NH2+][C@H]1CCc3ccc(Br)cc31)CC2 ZINC000282310081 563406556 /nfs/dbraw/zinc/40/65/56/563406556.db2.gz DLVGIBJJPKEDLI-ZBEGNZNMSA-N 1 0 389.297 2.584 20 0 GFADRO C[C@H](CO)[N@@H+]1CCCN(C(=O)C[C@H](C)c2ccc(Br)cc2)CC1 ZINC000375495509 563407218 /nfs/dbraw/zinc/40/72/18/563407218.db2.gz NQXYANFGLNXCPL-LSDHHAIUSA-N 1 0 383.330 2.858 20 0 GFADRO Cn1cc(-c2ccc(C[NH2+]CCS(=O)(=O)Cc3ccccc3)s2)cn1 ZINC000282357419 563408053 /nfs/dbraw/zinc/40/80/53/563408053.db2.gz XDQLSXBSXGHLLQ-UHFFFAOYSA-N 1 0 375.519 2.853 20 0 GFADRO C[C@@H]([NH2+][C@@H]1CCC(=O)N[C@H]1c1cncn1C)c1ccc(Br)cc1F ZINC000375516456 563408290 /nfs/dbraw/zinc/40/82/90/563408290.db2.gz BLWHIALTFJSLEH-LGFNAOKASA-N 1 0 395.276 2.992 20 0 GFADRO CCn1c2ccc(S(N)(=O)=O)cc2nc1SCC[C@@H]1CCCC[N@@H+]1C ZINC000301633473 563408952 /nfs/dbraw/zinc/40/89/52/563408952.db2.gz FKRPCMADUUGACB-ZDUSSCGKSA-N 1 0 382.555 2.670 20 0 GFADRO O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cc(Br)cnc1OCC1CC1 ZINC000375607119 563411528 /nfs/dbraw/zinc/41/15/28/563411528.db2.gz RIGYUQCBVAZUQG-LSDHHAIUSA-N 1 0 394.313 2.990 20 0 GFADRO C[N@@H+]1C[C@@H]2CCCN(S(=O)(=O)c3cc(Cl)ccc3Br)[C@@H]2C1 ZINC000425216342 563411998 /nfs/dbraw/zinc/41/19/98/563411998.db2.gz QNUHQNVFYJOCIO-GXFFZTMASA-N 1 0 393.734 2.817 20 0 GFADRO COCC1(C[NH2+][C@H](C)c2ccc(Br)c(S(N)(=O)=O)c2)CCC1 ZINC000282463532 563412700 /nfs/dbraw/zinc/41/27/00/563412700.db2.gz GATOFOLMHJHAIX-LLVKDONJSA-N 1 0 391.331 2.564 20 0 GFADRO O=C(c1cn2ccc(Br)cc2n1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000375660556 563413228 /nfs/dbraw/zinc/41/32/28/563413228.db2.gz ORZRTGASDGAQHG-AWEZNQCLSA-N 1 0 377.286 2.797 20 0 GFADRO Cn1nc(Br)c2c1ncnc2N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000301848574 563414055 /nfs/dbraw/zinc/41/40/55/563414055.db2.gz VNBFPAHDILOEQS-GXTWGEPZSA-N 1 0 387.285 2.983 20 0 GFADRO O=C(NCc1ccnc(-n2ccnc2)c1)c1cc(Br)cc2[nH]cnc21 ZINC000375697580 563414847 /nfs/dbraw/zinc/41/48/47/563414847.db2.gz NYQJXOYTENKTLR-UHFFFAOYSA-N 1 0 397.236 2.836 20 0 GFADRO COc1cc2[nH+]ccc(N[C@H](C)C3(S(C)(=O)=O)CC3)c2cc1Br ZINC000425255353 563414983 /nfs/dbraw/zinc/41/49/83/563414983.db2.gz PGLZQRHHRLUESI-SNVBAGLBSA-N 1 0 399.310 2.805 20 0 GFADRO COc1cc2[nH+]ccc(N3CCN4C(=O)CC[C@H]4C3)c2cc1Br ZINC000425248002 563415108 /nfs/dbraw/zinc/41/51/08/563415108.db2.gz PWXQMAUBERZDGG-NSHDSACASA-N 1 0 376.254 2.817 20 0 GFADRO COc1cc2nccc(NC[C@@H]3CCC[N@@H+]3CCCO)c2cc1Br ZINC000425266024 563415735 /nfs/dbraw/zinc/41/57/35/563415735.db2.gz GQBFIPVANBBQGE-ZDUSSCGKSA-N 1 0 394.313 2.687 20 0 GFADRO CNS(=O)(=O)c1ccc(NC[C@@H](C)[N@@H+]2CCc3sccc3C2)c(F)c1 ZINC000301954009 563416590 /nfs/dbraw/zinc/41/65/90/563416590.db2.gz KBMMEIYHFUFESZ-GFCCVEGCSA-N 1 0 383.514 2.654 20 0 GFADRO CC(C)(C)n1cc(C[NH2+]C[C@@H]2CCN(S(=O)(=O)c3cccs3)C2)cn1 ZINC000375751174 563416620 /nfs/dbraw/zinc/41/66/20/563416620.db2.gz QODNIONHKODZSC-AWEZNQCLSA-N 1 0 382.555 2.500 20 0 GFADRO O=S(=O)(c1cccs1)N1CC[C@H](C[NH2+]Cc2cc(F)c(F)c(F)c2)C1 ZINC000375751908 563417154 /nfs/dbraw/zinc/41/71/54/563417154.db2.gz YILRJURYZTZIOM-LLVKDONJSA-N 1 0 390.452 2.966 20 0 GFADRO CC(C)(C)n1cc(C[NH2+]C[C@H]2CCN(S(=O)(=O)c3cccs3)C2)cn1 ZINC000375751175 563417157 /nfs/dbraw/zinc/41/71/57/563417157.db2.gz QODNIONHKODZSC-CQSZACIVSA-N 1 0 382.555 2.500 20 0 GFADRO COC(=O)c1cnc([C@H](C)[NH2+]C[C@H](C)c2ccc(S(C)(=O)=O)cc2)s1 ZINC000425349127 563419024 /nfs/dbraw/zinc/41/90/24/563419024.db2.gz FWMFBRQLKBPJMY-RYUDHWBXSA-N 1 0 382.507 2.788 20 0 GFADRO CC(=O)N1CCC[C@H]1[C@H]1CCC[N@H+]1CC(=O)N(C)Cc1ccc(Cl)s1 ZINC000375819097 563419484 /nfs/dbraw/zinc/41/94/84/563419484.db2.gz YZBPPODTRSMALF-CVEARBPZSA-N 1 0 383.945 2.835 20 0 GFADRO COc1cc(Br)c(C[NH2+][C@@H]2CCC(=O)NC23CCC3)cc1OC ZINC000282656351 563420259 /nfs/dbraw/zinc/42/02/59/563420259.db2.gz IGXMLUYVMDPBKH-OAHLLOKOSA-N 1 0 383.286 2.757 20 0 GFADRO Brc1cnc2c(c1)nccc2N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000302097945 563420859 /nfs/dbraw/zinc/42/08/59/563420859.db2.gz JYXOXFZLYJMDBN-AWEZNQCLSA-N 1 0 391.313 2.941 20 0 GFADRO CC[NH+]1CCN([C@@H](C)CNc2ccnc3cc(Br)cnc32)CC1 ZINC000302086542 563420887 /nfs/dbraw/zinc/42/08/87/563420887.db2.gz FEOWIENUFRAJNK-ZDUSSCGKSA-N 1 0 378.318 2.830 20 0 GFADRO COCCn1cc(C[NH2+][C@H](C)CC(=O)Nc2cccc(Br)c2)cn1 ZINC000282673193 563421023 /nfs/dbraw/zinc/42/10/23/563421023.db2.gz JFYBJTKRICAUSJ-CYBMUJFWSA-N 1 0 395.301 2.799 20 0 GFADRO C[N@H+](CCOCCO)Cc1cc(Br)ccc1OCc1ccccn1 ZINC000282716704 563422035 /nfs/dbraw/zinc/42/20/35/563422035.db2.gz LFKZSLXVPNARMX-UHFFFAOYSA-N 1 0 395.297 2.864 20 0 GFADRO CC[NH+](CC)C[C@H]1CCCC[C@@H]1NCc1ccc(S(=O)(=O)N(C)C)s1 ZINC000425435916 563422365 /nfs/dbraw/zinc/42/23/65/563422365.db2.gz UVDDTVFSAISDKN-WBVHZDCISA-N 1 0 387.615 2.989 20 0 GFADRO C[C@H]([NH2+][C@H]1COc2cc(F)c(Br)cc21)C1CCS(=O)(=O)CC1 ZINC000282754097 563423547 /nfs/dbraw/zinc/42/35/47/563423547.db2.gz OGYYRTGQLBQGEI-XPTSAGLGSA-N 1 0 392.290 2.825 20 0 GFADRO COc1ccc([C@@H](C)[NH2+][C@H]2CCN(c3ccn(C)n3)C2=O)cc1Br ZINC000375958340 563424944 /nfs/dbraw/zinc/42/49/44/563424944.db2.gz CAMJNCGYVLXFDL-RISCZKNCSA-N 1 0 393.285 2.647 20 0 GFADRO C[C@@H](Cc1ccc(Br)cc1)[NH2+][C@H]1CCN(c2ccn(C)n2)C1=O ZINC000375984305 563425678 /nfs/dbraw/zinc/42/56/78/563425678.db2.gz IKVBSDSLTNKSQU-WFASDCNBSA-N 1 0 377.286 2.509 20 0 GFADRO O=C([C@@H]1C[C@@H]1c1cccc(Br)c1)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000376225914 563433390 /nfs/dbraw/zinc/43/33/90/563433390.db2.gz LLASDZFHXSDTIN-BRSBDYLESA-N 1 0 393.325 2.610 20 0 GFADRO CC1(C)[NH2+]CC[C@@H]1NC(=O)c1ccc(I)c(Cl)c1 ZINC000307890174 563434893 /nfs/dbraw/zinc/43/48/93/563434893.db2.gz CWSNGNDQQOSBRB-NSHDSACASA-N 1 0 378.641 2.815 20 0 GFADRO C[N@@H+]1C[C@@H]2CCCN(C(=O)N[C@H]3COc4cc(F)c(Br)cc43)[C@@H]2C1 ZINC000425756251 563435711 /nfs/dbraw/zinc/43/57/11/563435711.db2.gz MIERTSYNRIKTGC-NZVBXONLSA-N 1 0 398.276 2.757 20 0 GFADRO Ic1cccc(C[NH2+]CCCOC[C@@H]2CCCO2)c1 ZINC000311480401 563436067 /nfs/dbraw/zinc/43/60/67/563436067.db2.gz SZZVNSFUUFBXME-HNNXBMFYSA-N 1 0 375.250 2.967 20 0 GFADRO C[N@@H+]1CC[C@]2(CCN(S(=O)(=O)c3ccc(Cl)c(Br)c3)C2)C1 ZINC000313916006 563438763 /nfs/dbraw/zinc/43/87/63/563438763.db2.gz VKWFJHWTFWNGBT-AWEZNQCLSA-N 1 0 393.734 2.819 20 0 GFADRO CSCCCCCNC(=O)C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000283299607 563441253 /nfs/dbraw/zinc/44/12/53/563441253.db2.gz DTVDHENGTOTMMS-OAHLLOKOSA-N 1 0 383.583 2.651 20 0 GFADRO COCC(=O)N1CCC([NH2+][C@@H]2CCc3cc(Br)ccc3C2)CC1 ZINC000320390188 563446197 /nfs/dbraw/zinc/44/61/97/563446197.db2.gz JFSAEQLRVHKRHJ-QGZVFWFLSA-N 1 0 381.314 2.533 20 0 GFADRO O[C@@H](C[NH2+]C[C@@H]1Cc2ccccc2O1)COc1cccc(Br)c1 ZINC000320580136 563446995 /nfs/dbraw/zinc/44/69/95/563446995.db2.gz AKXNPUREXGMIDK-RDJZCZTQSA-N 1 0 378.266 2.782 20 0 GFADRO C[C@H]1C[N@@H+](C2CCN(C(=O)Nc3nc4c(s3)CSCC4)CC2)CCO1 ZINC000376588333 563447487 /nfs/dbraw/zinc/44/74/87/563447487.db2.gz NBKGPDOBZWFKCP-LBPRGKRZSA-N 1 0 382.555 2.649 20 0 GFADRO Cc1ccc(CNC(=O)C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)s1 ZINC000283552423 563447970 /nfs/dbraw/zinc/44/79/70/563447970.db2.gz SKVZISMBJXAEHO-OAHLLOKOSA-N 1 0 377.535 2.688 20 0 GFADRO CCOc1ccc(Br)cc1S(=O)(=O)NCc1ccc(C[NH3+])cc1 ZINC000321570694 563448674 /nfs/dbraw/zinc/44/86/74/563448674.db2.gz PFRULKWDEKLDTP-UHFFFAOYSA-N 1 0 399.310 2.785 20 0 GFADRO CC(C)[C@@H]([NH3+])c1cn(CC(=O)N[C@H](C)c2ccc(Br)cc2)nn1 ZINC000321843628 563448810 /nfs/dbraw/zinc/44/88/10/563448810.db2.gz FRQBCNGGLGBMJL-BDJLRTHQSA-N 1 0 380.290 2.574 20 0 GFADRO CC(C)c1nnc(CC[NH2+][C@H](C)c2cccc(S(=O)(=O)N(C)C)c2)s1 ZINC000426331386 563449412 /nfs/dbraw/zinc/44/94/12/563449412.db2.gz RPPUODHSEYJPKV-CYBMUJFWSA-N 1 0 382.555 2.805 20 0 GFADRO CSCC[C@H](C)N(C)C(=O)C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000283650526 563450682 /nfs/dbraw/zinc/45/06/82/563450682.db2.gz YYEYXZXBAKGFSA-GJZGRUSLSA-N 1 0 383.583 2.601 20 0 GFADRO C[C@H](O)C[C@@H]1CCCC[N@@H+]1Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000323598369 563451205 /nfs/dbraw/zinc/45/12/05/563451205.db2.gz HXGPTEFLHPHWSX-WFASDCNBSA-N 1 0 380.286 2.582 20 0 GFADRO CC[NH+]1CCN([C@@H](C)CNC(=O)c2c(F)ccc(C)c2Br)CC1 ZINC000426451489 563451261 /nfs/dbraw/zinc/45/12/61/563451261.db2.gz QSEPIHJDQINVOV-ZDUSSCGKSA-N 1 0 386.309 2.652 20 0 GFADRO CN1C(=O)CC[C@@H]([NH2+]Cc2ccc(OC(F)(F)F)c(Br)c2)C1=O ZINC000323732837 563451545 /nfs/dbraw/zinc/45/15/45/563451545.db2.gz PTVBBAWBXQVXMD-SNVBAGLBSA-N 1 0 395.175 2.585 20 0 GFADRO [NH2+]=C(NCCCn1cc(Br)cn1)N[C@@H]1CCOc2ccccc21 ZINC000376701106 563451601 /nfs/dbraw/zinc/45/16/01/563451601.db2.gz PQRHGFFIAUDDCH-CQSZACIVSA-N 1 0 378.274 2.673 20 0 GFADRO COc1ccc(C[NH2+]C[C@H](O)COc2ccc(Br)cc2)c(OC)c1 ZINC000324620344 563453083 /nfs/dbraw/zinc/45/30/83/563453083.db2.gz AIFIQCLDRFHGJR-HNNXBMFYSA-N 1 0 396.281 2.996 20 0 GFADRO Cc1c(Br)cc(C[NH2+][C@@H]2CCS(=O)(=O)C2)cc1Br ZINC000283807016 563454909 /nfs/dbraw/zinc/45/49/09/563454909.db2.gz CKIFDWPJSFAMOQ-SNVBAGLBSA-N 1 0 397.132 2.797 20 0 GFADRO O=S(=O)(c1ccc(Cl)c(C(F)(F)F)c1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000326814439 563455831 /nfs/dbraw/zinc/45/58/31/563455831.db2.gz WGDMCLAPBKTOGK-PHIMTYICSA-N 1 0 382.835 2.979 20 0 GFADRO COCC[N@@H+]1CC[C@@H](NC(=O)c2cc(Cl)cc(F)c2Br)C1 ZINC000283892651 563458325 /nfs/dbraw/zinc/45/83/25/563458325.db2.gz IMCJXIVXCHUUFU-SNVBAGLBSA-N 1 0 379.657 2.692 20 0 GFADRO C[C@@H](CNC(=O)C(=O)NC[C@H](c1cccs1)[NH+](C)C)Cc1cccs1 ZINC000283942500 563459761 /nfs/dbraw/zinc/45/97/61/563459761.db2.gz FEWFOWGCGSIXTO-UKRRQHHQSA-N 1 0 379.551 2.524 20 0 GFADRO C[C@@H]([NH3+])C1CCN(C(=O)C2CCN(C(=O)c3ccc(Cl)s3)CC2)CC1 ZINC000377124724 563464108 /nfs/dbraw/zinc/46/41/08/563464108.db2.gz ANTDPMAPLWYNKH-GFCCVEGCSA-N 1 0 383.945 2.840 20 0 GFADRO CN(C)c1ccc(S(=O)(=O)NC[C@H]2CC[N@H+](C)[C@H]2c2cccs2)cc1 ZINC000377208522 563466906 /nfs/dbraw/zinc/46/69/06/563466906.db2.gz KCGDWNITPIEXGF-RDTXWAMCSA-N 1 0 379.551 2.785 20 0 GFADRO C[N@@H+]1CCCC[C@H]1CCSc1nnc(-c2cncc(Br)c2)n1N ZINC000284208130 563467276 /nfs/dbraw/zinc/46/72/76/563467276.db2.gz LRBWRUQIISWJST-ZDUSSCGKSA-N 1 0 397.346 2.783 20 0 GFADRO C[NH+]1CCC(N(Cc2ccccc2Br)C(=O)Cn2cccn2)CC1 ZINC000377308587 563470708 /nfs/dbraw/zinc/47/07/08/563470708.db2.gz YZQUVDRZLKCIBM-UHFFFAOYSA-N 1 0 391.313 2.769 20 0 GFADRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2S(=O)(=O)c2cc(Br)ccc2F)C1 ZINC000427802660 563476429 /nfs/dbraw/zinc/47/64/29/563476429.db2.gz AFHJPSCOFCSKPR-BXUZGUMPSA-N 1 0 391.306 2.693 20 0 GFADRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2S(=O)(=O)c2ccc(Br)s2)C1 ZINC000427812064 563476952 /nfs/dbraw/zinc/47/69/52/563476952.db2.gz PCCWBXUVWOJCPJ-GHMZBOCLSA-N 1 0 379.345 2.615 20 0 GFADRO Cc1cc(S(=O)(=O)NCC[NH2+]Cc2cnc(C(C)(C)C)nc2)c(C)s1 ZINC000284519147 563478684 /nfs/dbraw/zinc/47/86/84/563478684.db2.gz ZAIPZBXNOXPOMT-UHFFFAOYSA-N 1 0 382.555 2.521 20 0 GFADRO C[C@H](Cn1cc(Br)cn1)[NH2+][C@@H](c1nccn1C)C1CCOCC1 ZINC000284560557 563479970 /nfs/dbraw/zinc/47/99/70/563479970.db2.gz HCZSSDPPIRRLTC-IUODEOHRSA-N 1 0 382.306 2.525 20 0 GFADRO C[C@@H]1C[C@H](C)CN(S(=O)(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)C1 ZINC000329445423 563480593 /nfs/dbraw/zinc/48/05/93/563480593.db2.gz NSHRYEPOBZVBAK-IXDOHACOSA-N 1 0 385.599 2.772 20 0 GFADRO COc1ccc(S(=O)(=O)N2CC([NH2+][C@H](C)CCCC(F)(F)F)C2)cc1 ZINC000428104753 563482226 /nfs/dbraw/zinc/48/22/26/563482226.db2.gz UXZWUDWYMXTAPQ-GFCCVEGCSA-N 1 0 380.432 2.779 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000377739625 563484994 /nfs/dbraw/zinc/48/49/94/563484994.db2.gz SJSNSRPRPYBPNZ-UONOGXRCSA-N 1 0 389.297 2.625 20 0 GFADRO C[N@@H+]1CC[C@@H](CNS(=O)(=O)CCOc2ccccc2)[C@H]1c1cccs1 ZINC000377859478 563488520 /nfs/dbraw/zinc/48/85/20/563488520.db2.gz HTZBVFUJVKDUMM-YJBOKZPZSA-N 1 0 380.535 2.739 20 0 GFADRO O=S1(=O)CCC[C@H](C[NH2+][C@@H](CO)c2ccc(Cl)cc2C(F)(F)F)C1 ZINC000284787415 563490393 /nfs/dbraw/zinc/49/03/93/563490393.db2.gz NTYYDKMXWDCOTH-YGRLFVJLSA-N 1 0 385.835 2.807 20 0 GFADRO C[NH2+][C@H]1CCN(C(=O)c2cccn2-c2cccc(I)c2)C1 ZINC000428409345 563490640 /nfs/dbraw/zinc/49/06/40/563490640.db2.gz BMUJRXDIEVPBNP-ZDUSSCGKSA-N 1 0 395.244 2.516 20 0 GFADRO C[N@H+](CCCS(N)(=O)=O)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000284833251 563492002 /nfs/dbraw/zinc/49/20/02/563492002.db2.gz RXEKKXFCRKCFEQ-UHFFFAOYSA-N 1 0 378.338 2.835 20 0 GFADRO CCS(=O)(=O)c1ccc([C@@H](C)[NH2+][C@H](C)C(=O)NCc2cccs2)cc1 ZINC000284852949 563492445 /nfs/dbraw/zinc/49/24/45/563492445.db2.gz UDLOWTWNYAFFBB-ZIAGYGMSSA-N 1 0 380.535 2.897 20 0 GFADRO CN1C(=O)N[C@]2(CCC[C@@H]2C[NH2+]Cc2csc(-c3cccs3)n2)C1=O ZINC000377976139 563492576 /nfs/dbraw/zinc/49/25/76/563492576.db2.gz HPRDVBMRNGWRNF-DIFFPNOSSA-N 1 0 376.507 2.682 20 0 GFADRO C[NH+]1CCC(N(Cc2ccccc2Br)C(=O)c2ccnnc2)CC1 ZINC000378072813 563495656 /nfs/dbraw/zinc/49/56/56/563495656.db2.gz BJYXLUUPDBMLSM-UHFFFAOYSA-N 1 0 389.297 2.976 20 0 GFADRO Cc1cc(C)n2c(C[NH2+]Cc3ccc(S(C)(=O)=O)c(Cl)c3)cnc2n1 ZINC000428544444 563495719 /nfs/dbraw/zinc/49/57/19/563495719.db2.gz JSFYCRUCCIEUOE-UHFFFAOYSA-N 1 0 378.885 2.693 20 0 GFADRO Cc1cc(NC(=O)CN2C[C@H](C)O[C@@]3(CCCOC3)C2)ccc1Br ZINC000330141829 563497166 /nfs/dbraw/zinc/49/71/66/563497166.db2.gz XWNKUGJNWMMZKM-KSSFIOAISA-N 1 0 397.313 2.966 20 0 GFADRO CS[C@H]1CN(S(=O)(=O)c2ccc3nc(C)sc3c2)C[C@@H]1[NH+]1CCCC1 ZINC000330181821 563497860 /nfs/dbraw/zinc/49/78/60/563497860.db2.gz GXFNOERKKMGBJO-RDJZCZTQSA-N 1 0 397.591 2.805 20 0 GFADRO CCS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)c1 ZINC000378225834 563499173 /nfs/dbraw/zinc/49/91/73/563499173.db2.gz KJCHRSXERSVUDL-KRWDZBQOSA-N 1 0 384.929 2.738 20 0 GFADRO O=S(=O)(c1ccc(F)cc1C(F)(F)F)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000378222106 563499204 /nfs/dbraw/zinc/49/92/04/563499204.db2.gz FMTGVLGWVJCHEM-FZMZJTMJSA-N 1 0 380.407 2.997 20 0 GFADRO CCS(=O)(=O)c1ccc(C[NH2+][C@H](C)C2CN(C(=O)OC(C)(C)C)C2)s1 ZINC000285057047 563500733 /nfs/dbraw/zinc/50/07/33/563500733.db2.gz IRTDISDNZZDLPO-GFCCVEGCSA-N 1 0 388.555 2.887 20 0 GFADRO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cnnn1-c1c(Cl)cccc1Cl ZINC000330350338 563502206 /nfs/dbraw/zinc/50/22/06/563502206.db2.gz KYGNVYWMTLRYAP-VXGBXAGGSA-N 1 0 380.279 2.883 20 0 GFADRO Cc1cccc(C(=O)N2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)c1Br ZINC000378321155 563502603 /nfs/dbraw/zinc/50/26/03/563502603.db2.gz RRBCTMZNSAXBTR-WBVHZDCISA-N 1 0 394.357 2.856 20 0 GFADRO C[NH+]1CCC2(CCCN2C(=O)c2ccc(I)cc2)CC1 ZINC000378330677 563502807 /nfs/dbraw/zinc/50/28/07/563502807.db2.gz AJHVPNNDXBMGFK-UHFFFAOYSA-N 1 0 384.261 2.992 20 0 GFADRO C[N@@H+]1CC[C@H]2OCCN(C(=O)/C=C/c3cc(Br)ccc3F)[C@H]2C1 ZINC000285097016 563502964 /nfs/dbraw/zinc/50/29/64/563502964.db2.gz DWSPLTQHQAUDKO-ILUPXTIESA-N 1 0 383.261 2.533 20 0 GFADRO C[C@H]1CN(C(=O)c2ccccc2Br)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000378317691 563503071 /nfs/dbraw/zinc/50/30/71/563503071.db2.gz PFQQUFZXMZRSQJ-WMLDXEAASA-N 1 0 380.330 2.547 20 0 GFADRO O=S(=O)(C[C@@H](O)C[NH2+]Cc1ccc(C(F)(F)F)s1)c1cccs1 ZINC000428862680 563503575 /nfs/dbraw/zinc/50/35/75/563503575.db2.gz OHKRHUDPYBYRNH-VIFPVBQESA-N 1 0 385.454 2.753 20 0 GFADRO C[NH+]1CCC2(CCCN2C(=O)COc2ccc(C=O)cc2Br)CC1 ZINC000378349389 563503692 /nfs/dbraw/zinc/50/36/92/563503692.db2.gz JXJKKGMRSOTPNP-UHFFFAOYSA-N 1 0 395.297 2.727 20 0 GFADRO C[C@H](CC[NH3+])NS(=O)(=O)c1c(Cl)cc(Br)cc1Cl ZINC000385393855 563518150 /nfs/dbraw/zinc/51/81/50/563518150.db2.gz IOMNLWFIKWNDDX-ZCFIWIBFSA-N 1 0 376.103 2.772 20 0 GFADRO C[N@H+](C[C@@H]1CC12CCN(C(=O)CSc1n[n-]c(=S)s1)CC2)C1CC1 ZINC000378354868 563503912 /nfs/dbraw/zinc/50/39/12/563503912.db2.gz LIODJHKFHFTISV-NSHDSACASA-N 1 0 384.596 2.642 20 0 GFADRO O=S1(=O)CC[C@]2(C1)C[C@@H]([NH2+]Cc1csc(-c3cccs3)n1)CCO2 ZINC000378465978 563507408 /nfs/dbraw/zinc/50/74/08/563507408.db2.gz YZOHJYUJMDGJDN-BLLLJJGKSA-N 1 0 384.548 2.698 20 0 GFADRO C[C@H](CS(C)(=O)=O)[NH2+]C1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000378488054 563508961 /nfs/dbraw/zinc/50/89/61/563508961.db2.gz GZFNHXJQGYPATN-CYBMUJFWSA-N 1 0 378.460 2.693 20 0 GFADRO CN(C[C@H]1CCC[N@H+](C[C@@H](O)c2ccc(Cl)cc2Cl)C1)S(C)(=O)=O ZINC000285222034 563509011 /nfs/dbraw/zinc/50/90/11/563509011.db2.gz ANUIUHHFUCKWLY-MLGOLLRUSA-N 1 0 395.352 2.630 20 0 GFADRO COC(=O)[C@@H]1C[N@H+](CCn2c(C)csc2=O)C[C@H]1c1ccc(Cl)cc1 ZINC000429115377 563509911 /nfs/dbraw/zinc/50/99/11/563509911.db2.gz OEBJIFWROHNHBI-JKSUJKDBSA-N 1 0 380.897 2.760 20 0 GFADRO C[C@@H]1CN(C[C@H](O)C[N@@H+]2CC[C@H](Sc3cccc(Cl)c3)C2)C[C@H](C)O1 ZINC000429113829 563510306 /nfs/dbraw/zinc/51/03/06/563510306.db2.gz FHMFYPQYOKEDRU-GFIVTLFCSA-N 1 0 384.973 2.977 20 0 GFADRO C[C@H]1C[C@@H](O)CC[N@@H+]1CCCOc1cccc(I)c1 ZINC000429192416 563511798 /nfs/dbraw/zinc/51/17/98/563511798.db2.gz RCSRMKVXAGKLFW-JSGCOSHPSA-N 1 0 375.250 2.905 20 0 GFADRO COc1ccc(-c2nc(C)c([C@H](C)[NH2+]CCS(=O)(=O)N(C)C)s2)cc1 ZINC000285283636 563512420 /nfs/dbraw/zinc/51/24/20/563512420.db2.gz ASCUERNPXROEQT-LBPRGKRZSA-N 1 0 383.539 2.669 20 0 GFADRO CC(C)[C@H](NC(=O)c1ccccc1Br)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000429483441 563517663 /nfs/dbraw/zinc/51/76/63/563517663.db2.gz XYOYBPJZNVHLCQ-HNNXBMFYSA-N 1 0 398.345 2.647 20 0 GFADRO CC(C)[NH+](CCN(C)S(=O)(=O)c1cncc(Br)c1)C(C)C ZINC000330758627 563520471 /nfs/dbraw/zinc/52/04/71/563520471.db2.gz JOFSWINYNFBFDL-UHFFFAOYSA-N 1 0 378.336 2.583 20 0 GFADRO CCOc1ccc(Br)cc1S(=O)(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000388296711 563520454 /nfs/dbraw/zinc/52/04/54/563520454.db2.gz UKNNBGLSMMSLKF-DGCLKSJQSA-N 1 0 391.331 2.644 20 0 GFADRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)c1ccc(Br)cc1Br ZINC000389795163 563522264 /nfs/dbraw/zinc/52/22/64/563522264.db2.gz SWAVSDXIISFGMT-PRHODGIISA-N 1 0 376.092 2.939 20 0 GFADRO COCC[N@H+](C)CCCNC(=O)C1(Cc2ccccc2Br)CC1 ZINC000429852273 563525828 /nfs/dbraw/zinc/52/58/28/563525828.db2.gz ULRZHKUNBHHEIP-UHFFFAOYSA-N 1 0 383.330 2.856 20 0 GFADRO O=S(=O)(C1CC1)N1CCC[C@@H]([NH2+]Cc2cnc(-c3ccccc3)s2)C1 ZINC000285546801 563525903 /nfs/dbraw/zinc/52/59/03/563525903.db2.gz RCPWWGHXVRVNKF-OAHLLOKOSA-N 1 0 377.535 2.856 20 0 GFADRO COc1cc[nH+]c(N2CCN(C(=O)c3cscc3Br)CC2)c1 ZINC000285537823 563525947 /nfs/dbraw/zinc/52/59/47/563525947.db2.gz HVVPGKJYRGYUPQ-UHFFFAOYSA-N 1 0 382.283 2.877 20 0 GFADRO O=S(=O)(C1CC1)N1CCC[C@@H]([NH2+]Cc2cscc2Br)C1 ZINC000285536639 563525995 /nfs/dbraw/zinc/52/59/95/563525995.db2.gz QESXBLWTCZAPON-LLVKDONJSA-N 1 0 379.345 2.557 20 0 GFADRO C[NH+](C)CC[C@@](C)(O)CNC(=O)C1(c2ccc(Br)cc2)CCC1 ZINC000429901281 563527941 /nfs/dbraw/zinc/52/79/41/563527941.db2.gz ISJMWJVGQPUIFS-QGZVFWFLSA-N 1 0 383.330 2.690 20 0 GFADRO O[C@H](C[NH2+][C@@H]1COc2ccccc2C1)COc1cccc(Br)c1 ZINC000393343454 563528464 /nfs/dbraw/zinc/52/84/64/563528464.db2.gz CBCCATZOAGWLEP-JKSUJKDBSA-N 1 0 378.266 2.782 20 0 GFADRO CCOc1c(OC)cc(C[NH2+]CCn2cc(Br)cn2)cc1OC ZINC000285633056 563530181 /nfs/dbraw/zinc/53/01/81/563530181.db2.gz YSQXMIJLDBGGOS-UHFFFAOYSA-N 1 0 384.274 2.851 20 0 GFADRO COc1c(Cl)cc(Cl)cc1C[NH2+][C@H]1CCCC[C@H]1NS(C)(=O)=O ZINC000331015142 563531792 /nfs/dbraw/zinc/53/17/92/563531792.db2.gz PAVADOGPEIYCTP-UONOGXRCSA-N 1 0 381.325 2.952 20 0 GFADRO C[N@H+](CCCCc1cccc(C(F)(F)F)c1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000430092835 563532224 /nfs/dbraw/zinc/53/22/24/563532224.db2.gz BPMLWEZJSBOFJV-INIZCTEOSA-N 1 0 378.460 2.994 20 0 GFADRO CC[C@H]([NH2+][C@H]1CCCN(S(C)(=O)=O)C1)c1cccc(Br)c1 ZINC000400173968 563534300 /nfs/dbraw/zinc/53/43/00/563534300.db2.gz LYHTUOHAJNQKIX-GJZGRUSLSA-N 1 0 375.332 2.914 20 0 GFADRO CC[C@@H]([NH2+][C@H]1CCCN(S(C)(=O)=O)C1)c1ccc(Br)cc1 ZINC000400207240 563534495 /nfs/dbraw/zinc/53/44/95/563534495.db2.gz RIHGWIAEHBTVKK-LSDHHAIUSA-N 1 0 375.332 2.914 20 0 GFADRO C[NH+](C)Cc1cccc(C(=O)NCc2ccc(S(C)(=O)=O)c(Cl)c2)c1 ZINC000430163399 563537344 /nfs/dbraw/zinc/53/73/44/563537344.db2.gz HOJTUKGGYWBLBC-UHFFFAOYSA-N 1 0 380.897 2.735 20 0 GFADRO C[NH+](C)C[C@H]1CCCCN1S(=O)(=O)c1ccc(Br)cc1F ZINC000405073964 563538107 /nfs/dbraw/zinc/53/81/07/563538107.db2.gz HJPKHRUOTBMNOX-GFCCVEGCSA-N 1 0 379.295 2.693 20 0 GFADRO Cc1cc(C[NH2+][C@H]2CCCC[C@H]2NS(C)(=O)=O)sc1Br ZINC000331169503 563538475 /nfs/dbraw/zinc/53/84/75/563538475.db2.gz IWLSHOTWSWLAMP-NWDGAFQWSA-N 1 0 381.361 2.769 20 0 GFADRO CC(C)(C[NH2+]Cc1cc(Cl)ccc1I)OCCO ZINC000405326655 563538812 /nfs/dbraw/zinc/53/88/12/563538812.db2.gz CUBXRZYBLJQCKR-UHFFFAOYSA-N 1 0 383.657 2.822 20 0 GFADRO CC[NH+]1CCN(C[C@H](C)CNS(=O)(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000331197978 563539856 /nfs/dbraw/zinc/53/98/56/563539856.db2.gz SYDULKLOAGPSDI-CYBMUJFWSA-N 1 0 394.368 2.545 20 0 GFADRO CC(C)(O)[C@H]1CCC[N@@H+]1C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000331265712 563542710 /nfs/dbraw/zinc/54/27/10/563542710.db2.gz PPUIGTONXNMOMK-DZGCQCFKSA-N 1 0 376.266 2.563 20 0 GFADRO COCC[C@]1(C(=O)N[C@@H](C)Cc2ccc(F)c(Br)c2)CC[NH2+]C1 ZINC000430427844 563542948 /nfs/dbraw/zinc/54/29/48/563542948.db2.gz PBNIHZOWUQQAEV-YVEFUNNKSA-N 1 0 387.293 2.652 20 0 GFADRO CNS(=O)(=O)CCC[N@@H+]1CCC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000331290045 563544246 /nfs/dbraw/zinc/54/42/46/563544246.db2.gz JWXZLDPTGFOZJZ-CYBMUJFWSA-N 1 0 381.325 2.776 20 0 GFADRO CC[NH+](CC)C[C@@H]1CCN(C(=O)c2cn3ccc(Br)cc3n2)C1 ZINC000286045792 563546340 /nfs/dbraw/zinc/54/63/40/563546340.db2.gz KTKTZBJYXKHUBN-ZDUSSCGKSA-N 1 0 379.302 2.901 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CC[NH2+][C@@H](C)c1ccc(=O)[nH]n1 ZINC000286066131 563547563 /nfs/dbraw/zinc/54/75/63/563547563.db2.gz KWKCAWGDYCRXFZ-NSHDSACASA-N 1 0 379.258 2.520 20 0 GFADRO O=S(=O)(c1ccc(Br)o1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000408214650 563547864 /nfs/dbraw/zinc/54/78/64/563547864.db2.gz ODZRWHNJSIZLSD-LBPRGKRZSA-N 1 0 377.304 2.539 20 0 GFADRO CC(C)(CCC[NH3+])NS(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC000431016107 563551678 /nfs/dbraw/zinc/55/16/78/563551678.db2.gz SQWFUQFNPSMBKQ-CYBMUJFWSA-N 1 0 390.933 2.551 20 0 GFADRO Cc1cc(F)c(Br)cc1S(=O)(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000431026531 563552153 /nfs/dbraw/zinc/55/21/53/563552153.db2.gz FWXRNSFZERSGFD-UHFFFAOYSA-N 1 0 391.306 2.661 20 0 GFADRO CN(CC[NH+]1CCCC1)C(=O)c1cc(=O)[nH]c2c(Br)cccc12 ZINC000331535757 563552511 /nfs/dbraw/zinc/55/25/11/563552511.db2.gz OVKVBYRVKAYAPJ-UHFFFAOYSA-N 1 0 378.270 2.871 20 0 GFADRO C[C@@H]1CN(C(=O)Nc2cc(Br)cc(C(=O)N3CCCC3)c2)CC[NH2+]1 ZINC000331648926 563556759 /nfs/dbraw/zinc/55/67/59/563556759.db2.gz KMKGPKTZNGBTGC-GFCCVEGCSA-N 1 0 395.301 2.511 20 0 GFADRO CCC[N@@H+]1CCC[C@H]1CNC(=O)Cc1cc2c(cc1Br)OCCO2 ZINC000331697151 563558481 /nfs/dbraw/zinc/55/84/81/563558481.db2.gz WTRWPFCLLZXLOJ-AWEZNQCLSA-N 1 0 397.313 2.753 20 0 GFADRO C[NH+](C)CC[C@](C)(O)CNC(=O)Cc1csc(-c2ccc(Cl)s2)n1 ZINC000431391986 563559692 /nfs/dbraw/zinc/55/96/92/563559692.db2.gz XFIRVDPDPXJKIR-INIZCTEOSA-N 1 0 387.958 2.886 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)c(Br)c1 ZINC000431702502 563566492 /nfs/dbraw/zinc/56/64/92/563566492.db2.gz NEDJAUIJOHSVBJ-STQMWFEESA-N 1 0 382.302 2.603 20 0 GFADRO CC(=O)c1cc(Br)ccc1OCC(=O)N1CCC[C@@H]([NH+](C)C)CC1 ZINC000286598053 563566564 /nfs/dbraw/zinc/56/65/64/563566564.db2.gz WSOOISOBISDBLO-OAHLLOKOSA-N 1 0 397.313 2.973 20 0 GFADRO Cc1c([C@H]2[C@H]([NH2+]Cc3cc(Br)ccc3C)CC(=O)N2C)cnn1C ZINC000331964219 563568948 /nfs/dbraw/zinc/56/89/48/563568948.db2.gz IJDABZNRQBCWOR-AEFFLSMTSA-N 1 0 391.313 2.861 20 0 GFADRO COCC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1csc2ccc(Cl)cc21 ZINC000431821857 563569400 /nfs/dbraw/zinc/56/94/00/563569400.db2.gz HBIPVKBPAUFZMZ-CYBMUJFWSA-N 1 0 388.942 2.944 20 0 GFADRO Cn1cc(NC(=O)C[C@@H](c2ccccc2)[NH+](C)C)cc(Br)c1=O ZINC000431861199 563569968 /nfs/dbraw/zinc/56/99/68/563569968.db2.gz XLHSCYNVEQETMW-HNNXBMFYSA-N 1 0 378.270 2.779 20 0 GFADRO Cc1c([C@H]2[C@H]([NH2+]Cc3cccc(Br)c3C)CC(=O)N2C)cnn1C ZINC000332013544 563571202 /nfs/dbraw/zinc/57/12/02/563571202.db2.gz OTVDPPXZRJBVIL-AEFFLSMTSA-N 1 0 391.313 2.861 20 0 GFADRO O=C1[C@H](NCc2ncc(I)s2)CCN1c1ccccc1 ZINC000286753056 563573728 /nfs/dbraw/zinc/57/37/28/563573728.db2.gz YWPZCICAZHFAGI-LLVKDONJSA-N 1 0 399.257 2.643 20 0 GFADRO O=C(NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1cscc1Br ZINC000286809225 563575763 /nfs/dbraw/zinc/57/57/63/563575763.db2.gz RSAVRNXKMIIXBZ-CQSZACIVSA-N 1 0 395.322 2.660 20 0 GFADRO C[C@H]1[C@H](NC(=O)C2(c3ccc(I)cc3)CC2)CCC[N@@H+]1C ZINC000409960502 563576128 /nfs/dbraw/zinc/57/61/28/563576128.db2.gz NFNGERQLHRJMHG-SWLSCSKDSA-N 1 0 398.288 2.922 20 0 GFADRO C[C@@H]1C[C@@H](C)[C@@H](C(=O)Nc2cc(Br)ccc2N2CC[NH+](C)CC2)O1 ZINC000409995201 563577908 /nfs/dbraw/zinc/57/79/08/563577908.db2.gz WREPIRHRIJDICB-XNJGSVPQSA-N 1 0 396.329 2.953 20 0 GFADRO CC1(C)NC(=O)N(CC[NH+]2CCC(c3ccc(Br)cc3)CC2)C1=O ZINC000332140665 563579212 /nfs/dbraw/zinc/57/92/12/563579212.db2.gz MDWDQCXWPGWKJZ-UHFFFAOYSA-N 1 0 394.313 2.959 20 0 GFADRO C[C@@H]([NH2+]C[C@@H]1CCCS(=O)(=O)C1)c1ccccc1I ZINC000286916702 563579556 /nfs/dbraw/zinc/57/95/56/563579556.db2.gz FJPFCOVDJRTGHR-NEPJUHHUSA-N 1 0 393.290 2.767 20 0 GFADRO CC[C@H]1CN(Cc2nc3ccc(Br)cc3o2)CC[N@@H+]1C[C@@H](C)O ZINC000332165533 563580664 /nfs/dbraw/zinc/58/06/64/563580664.db2.gz BAKIINNIXVHIKY-OCCSQVGLSA-N 1 0 382.302 2.867 20 0 GFADRO CC[N@H+](CCNC(=O)N[C@@H]1COc2cc(F)c(Br)cc21)C1CC1 ZINC000410185910 563584418 /nfs/dbraw/zinc/58/44/18/563584418.db2.gz QTXWOQHXEVXIQW-CQSZACIVSA-N 1 0 386.265 2.805 20 0 GFADRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)CSCc1ccc(Br)cc1F ZINC000432530111 563586075 /nfs/dbraw/zinc/58/60/75/563586075.db2.gz FLWBGNTWEICRBY-QMTHXVAHSA-N 1 0 375.307 2.936 20 0 GFADRO CCc1nc(C(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)nn1-c1c(Cl)cccc1Cl ZINC000432520837 563586451 /nfs/dbraw/zinc/58/64/51/563586451.db2.gz VLJNDOKYLSUGFP-GXFFZTMASA-N 1 0 382.295 2.864 20 0 GFADRO COC(=O)c1cc(Br)cc(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)c1 ZINC000332253103 563587780 /nfs/dbraw/zinc/58/77/80/563587780.db2.gz BZPKVRRASQJUBJ-LSDHHAIUSA-N 1 0 381.270 2.592 20 0 GFADRO CS(=O)(=O)N[C@H]1CCCC[C@H]1[NH2+]Cc1cn2cc(Cl)cc(Cl)c2n1 ZINC000332254098 563587858 /nfs/dbraw/zinc/58/78/58/563587858.db2.gz UREGGJRCFZWVHM-KGLIPLIRSA-N 1 0 391.324 2.591 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)N[C@@H]2COc3cc(F)c(Br)cc32)C1 ZINC000332313300 563592330 /nfs/dbraw/zinc/59/23/30/563592330.db2.gz XZJOCPUTSYHQAK-PKFCDNJMSA-N 1 0 386.265 2.791 20 0 GFADRO C[C@@H]1C[NH+](CCC2CCN(Cc3nn(C)cc3Br)CC2)C[C@@H](C)O1 ZINC000432835301 563594540 /nfs/dbraw/zinc/59/45/40/563594540.db2.gz HBISJALIQZVKPS-HUUCEWRRSA-N 1 0 399.377 2.894 20 0 GFADRO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)NCc1ccc(O)c(Br)c1 ZINC000332469565 563600619 /nfs/dbraw/zinc/60/06/19/563600619.db2.gz JSLAUECHZORBLJ-TZMCWYRMSA-N 1 0 382.302 2.923 20 0 GFADRO COc1ccc(NC(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)c(Br)c1 ZINC000332481234 563601152 /nfs/dbraw/zinc/60/11/52/563601152.db2.gz BTGMAKIVYFVEIB-CYBMUJFWSA-N 1 0 398.301 2.644 20 0 GFADRO CC1(C)CC([NH2+]C[C@H](O)COc2ccc(I)cc2)C1 ZINC000433123045 563603862 /nfs/dbraw/zinc/60/38/62/563603862.db2.gz XVGBQWAFRHIOGU-ZDUSSCGKSA-N 1 0 375.250 2.809 20 0 GFADRO CNC(=O)c1cccc(NC(=O)N[C@H](C)C[NH+]2CCCCC2)c1Br ZINC000287496446 563604489 /nfs/dbraw/zinc/60/44/89/563604489.db2.gz TUDYWEYBFATSPV-GFCCVEGCSA-N 1 0 397.317 2.805 20 0 GFADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)Nc1cc(F)c(Br)c(Cl)c1 ZINC000287518023 563605015 /nfs/dbraw/zinc/60/50/15/563605015.db2.gz VDAXFGIIZFOBTQ-SNVBAGLBSA-N 1 0 393.688 2.609 20 0 GFADRO OCC[N@H+](C[C@@H](O)COc1c(Cl)cccc1Cl)[C@@H]1CCCSC1 ZINC000433198271 563605663 /nfs/dbraw/zinc/60/56/63/563605663.db2.gz XOKMRZFUQPZRAG-CHWSQXEVSA-N 1 0 380.337 2.923 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)Nc2ccc3nccnc3c2Br)C1 ZINC000332583141 563605900 /nfs/dbraw/zinc/60/59/00/563605900.db2.gz GQDGXMAUKQXNOO-MNOVXSKESA-N 1 0 378.274 2.983 20 0 GFADRO COCC[N@H+](CCCS(=O)(=O)c1ccccc1OC)[C@H]1CCCSC1 ZINC000433202246 563606402 /nfs/dbraw/zinc/60/64/02/563606402.db2.gz ZRKPEVBNHCXQTK-INIZCTEOSA-N 1 0 387.567 2.703 20 0 GFADRO COc1cc(C[NH2+]C[C@@H]2CCCC(=O)N2)cc(Br)c1OC(F)F ZINC000433204746 563606913 /nfs/dbraw/zinc/60/69/13/563606913.db2.gz HVGKYBNKESJSTH-JTQLQIEISA-N 1 0 393.228 2.817 20 0 GFADRO Cc1cc(NC(=O)C(=O)NCCC[N@@H+](C)C(C)C)cc(F)c1Br ZINC000411126730 563606953 /nfs/dbraw/zinc/60/69/53/563606953.db2.gz BJYQMLNNOPXJIT-UHFFFAOYSA-N 1 0 388.281 2.682 20 0 GFADRO Cc1ccc(-c2csc(NC(=O)C(=O)N(C)CC[N@H+](C)C3CC3)n2)s1 ZINC000287560937 563607781 /nfs/dbraw/zinc/60/77/81/563607781.db2.gz BISCOPINEYTVMM-UHFFFAOYSA-N 1 0 378.523 2.671 20 0 GFADRO CN(CC1([NH+](C)C)CCC1)[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000433274333 563608428 /nfs/dbraw/zinc/60/84/28/563608428.db2.gz MOCMPPUSCCHDCT-INIZCTEOSA-N 1 0 380.330 2.971 20 0 GFADRO CCCNC(=O)NC(=O)C[N@@H+]1CC[C@@H](Cc2ccc(Br)cc2)C1 ZINC000433316700 563609011 /nfs/dbraw/zinc/60/90/11/563609011.db2.gz GVNHWJUFZXJFLZ-AWEZNQCLSA-N 1 0 382.302 2.549 20 0 GFADRO O=C(NCc1ccc(Br)cc1Cl)c1ncn([C@H]2CCC[NH2+]C2)n1 ZINC000433403918 563612088 /nfs/dbraw/zinc/61/20/88/563612088.db2.gz SAPJLXHABMJRDI-LBPRGKRZSA-N 1 0 398.692 2.549 20 0 GFADRO CCN(Cc1cccc(Br)c1)C(=O)c1ncn([C@@H]2CCC[NH2+]C2)n1 ZINC000433419007 563612240 /nfs/dbraw/zinc/61/22/40/563612240.db2.gz WWQMKRFLMQBJBL-OAHLLOKOSA-N 1 0 392.301 2.627 20 0 GFADRO O=C(N[C@@H]1COc2cc(F)c(Br)cc21)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000332705599 563612369 /nfs/dbraw/zinc/61/23/69/563612369.db2.gz VRMWEJJBNNNLHG-RRFJBIMHSA-N 1 0 398.276 2.948 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)N[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000332716880 563613014 /nfs/dbraw/zinc/61/30/14/563613014.db2.gz ZLSQIBJHZZSVEJ-YSVLISHTSA-N 1 0 395.345 2.939 20 0 GFADRO C[C@H]1C[C@H](NC(=O)Nc2ccc3nccnc3c2Br)CC[N@@H+]1C ZINC000332823912 563614468 /nfs/dbraw/zinc/61/44/68/563614468.db2.gz GELWGTJASKVBLR-WDEREUQCSA-N 1 0 378.274 2.997 20 0 GFADRO C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N1CC[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000332823388 563614587 /nfs/dbraw/zinc/61/45/87/563614587.db2.gz FNICYQXEEAFYEA-ZOWXZIJZSA-N 1 0 384.307 2.664 20 0 GFADRO CC[NH+]1CCC(NS(=O)(=O)c2cc(Br)sc2Cl)CC1 ZINC000433606120 563616538 /nfs/dbraw/zinc/61/65/38/563616538.db2.gz BUMDPEMGFCIDSA-UHFFFAOYSA-N 1 0 387.752 2.927 20 0 GFADRO COC[C@@](C)(CC(=O)OC)[NH2+]CCC(=O)Nc1cc(Cl)ccc1Cl ZINC000411383334 563617308 /nfs/dbraw/zinc/61/73/08/563617308.db2.gz DLLPPULXQZQPAX-MRXNPFEDSA-N 1 0 377.268 2.880 20 0 GFADRO [NH3+][C@@H]1CCCO[C@H]1C1CCN(C(=O)Cc2ccc(Br)c(F)c2)CC1 ZINC000333221966 563624658 /nfs/dbraw/zinc/62/46/58/563624658.db2.gz ADKNWOUGJJHPOL-AEFFLSMTSA-N 1 0 399.304 2.876 20 0 GFADRO O=C(Nc1cc(Br)ccc1-n1cccn1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000333229991 563624864 /nfs/dbraw/zinc/62/48/64/563624864.db2.gz XZRJANZWRSTIFG-GXTWGEPZSA-N 1 0 390.285 2.851 20 0 GFADRO [NH3+][C@@H]1CCCO[C@H]1C1CCN(C(=O)Nc2cc(Br)ccn2)CC1 ZINC000333249582 563625552 /nfs/dbraw/zinc/62/55/52/563625552.db2.gz CFSVIVNQIKDLNR-HIFRSBDPSA-N 1 0 383.290 2.594 20 0 GFADRO [NH3+][C@H]1CCCO[C@@H]1C1CCN(C(=O)c2cc(Br)ccc2O)CC1 ZINC000333262560 563626299 /nfs/dbraw/zinc/62/62/99/563626299.db2.gz JBQLYOGHIVNFKY-GOEBONIOSA-N 1 0 383.286 2.513 20 0 GFADRO COc1ccc(C(=O)N2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)cc1Br ZINC000333285776 563626763 /nfs/dbraw/zinc/62/67/63/563626763.db2.gz NHSRCBVAANHXIN-RHSMWYFYSA-N 1 0 397.313 2.816 20 0 GFADRO CC[NH+]1CCC(N(C)C(=O)Cc2ccccc2I)CC1 ZINC000434196297 563627287 /nfs/dbraw/zinc/62/72/87/563627287.db2.gz ZRRZJFSZRIZRRG-UHFFFAOYSA-N 1 0 386.277 2.776 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)NCC[C@H]2CCC[N@@H+](C)C2)cc1Br ZINC000411663701 563628435 /nfs/dbraw/zinc/62/84/35/563628435.db2.gz DKAZNKCDDYQBJM-CQSZACIVSA-N 1 0 396.329 2.853 20 0 GFADRO O=C(Nc1ccc2nccnc2c1Br)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000333365823 563629551 /nfs/dbraw/zinc/62/95/51/563629551.db2.gz UHSYDCROJOBFIQ-MNOVXSKESA-N 1 0 376.258 2.751 20 0 GFADRO CCCC[N@H+](C)CCNC(=O)C(=O)Nc1ccc(Br)c(C)c1F ZINC000434610351 563633132 /nfs/dbraw/zinc/63/31/32/563633132.db2.gz ZPYCKRDYWAMEJO-UHFFFAOYSA-N 1 0 388.281 2.683 20 0 GFADRO Cc1cc(CC(C)(C)[NH2+]CC(=O)NC[C@H]2CCCO2)ccc1Br ZINC000411761336 563633496 /nfs/dbraw/zinc/63/34/96/563633496.db2.gz VBOPDCIBIWHQHC-OAHLLOKOSA-N 1 0 383.330 2.963 20 0 GFADRO CCc1csc(NC(=O)C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)n1 ZINC000434651121 563633747 /nfs/dbraw/zinc/63/37/47/563633747.db2.gz BGZCRWQZKHVYRB-ZDUSSCGKSA-N 1 0 378.523 2.659 20 0 GFADRO [NH3+][C@@H]1CCC[C@H]2CN(c3ncc(Cn4cc(Br)cn4)s3)C[C@H]21 ZINC000333493109 563634121 /nfs/dbraw/zinc/63/41/21/563634121.db2.gz GXCWKZYIOCFGRU-ZLKJLUDKSA-N 1 0 382.331 2.714 20 0 GFADRO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)[C@H](c1ccc(Cl)cc1Cl)N1CCOCC1 ZINC000434706815 563635551 /nfs/dbraw/zinc/63/55/51/563635551.db2.gz LTIVXYKCBPFDLF-VUCTXSBTSA-N 1 0 386.323 2.623 20 0 GFADRO Cc1cc(C(=O)N2CC[NH2+][C@@H](C)[C@@H]2C)nn1-c1ccc(Br)cc1 ZINC000434702044 563635731 /nfs/dbraw/zinc/63/57/31/563635731.db2.gz IZGBMQMIRFFQBY-STQMWFEESA-N 1 0 377.286 2.766 20 0 GFADRO CN(C)c1cc(NC(=O)N2CC[C@H](O)C23CCCC3)ncc1Br ZINC000333729008 563640322 /nfs/dbraw/zinc/64/03/22/563640322.db2.gz WIDGRWKIMRAWEU-ZDUSSCGKSA-N 1 0 383.290 2.821 20 0 GFADRO [NH3+][C@H]1CCO[C@@H](C2CCN(S(=O)(=O)Cc3ccc(Cl)c(F)c3)CC2)C1 ZINC000333733809 563640453 /nfs/dbraw/zinc/64/04/53/563640453.db2.gz WOTKBACWVSNRDF-WMLDXEAASA-N 1 0 390.908 2.527 20 0 GFADRO CO[C@](C)([C@H](C)[NH2+]Cc1nnnn1-c1ccccc1Br)C1CC1 ZINC000411952598 563642310 /nfs/dbraw/zinc/64/23/10/563642310.db2.gz RFALGQOINFGOOR-MEDUHNTESA-N 1 0 380.290 2.718 20 0 GFADRO COc1cc(C[NH2+]CCCn2cc(Br)cn2)cc(OC)c1OC ZINC000288425064 563642843 /nfs/dbraw/zinc/64/28/43/563642843.db2.gz KDIOYEYCDCOPOX-UHFFFAOYSA-N 1 0 384.274 2.851 20 0 GFADRO C[C@H](NC(=O)N[C@@H]1COc2cc(F)c(Br)cc21)[C@H]1CCC[NH2+]C1 ZINC000333845099 563643138 /nfs/dbraw/zinc/64/31/38/563643138.db2.gz VZQKNJLEYCOREW-PKFCDNJMSA-N 1 0 386.265 2.709 20 0 GFADRO C[C@@H]1CCCCN1S(=O)(=O)N(Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000333853446 563643728 /nfs/dbraw/zinc/64/37/28/563643728.db2.gz OBTOZLPTTSTZOM-WBVHZDCISA-N 1 0 383.583 2.811 20 0 GFADRO C[C@H](CNC(=O)Nc1cc(Br)cn(C)c1=O)[N@@H+]1CCCC[C@H]1C ZINC000435175833 563643793 /nfs/dbraw/zinc/64/37/93/563643793.db2.gz FTMHECDPZXZXFA-VXGBXAGGSA-N 1 0 385.306 2.532 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)N[C@@H]3COc4cc(F)c(Br)cc43)C[C@@H]21 ZINC000333845675 563643935 /nfs/dbraw/zinc/64/39/35/563643935.db2.gz WDVPXINNKGWYCF-VNLRXTSXSA-N 1 0 398.276 2.791 20 0 GFADRO Cc1nc(S(=O)(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2F)sc1C ZINC000435218114 563645243 /nfs/dbraw/zinc/64/52/43/563645243.db2.gz TWMSBMJLSWJARU-UHFFFAOYSA-N 1 0 389.493 2.791 20 0 GFADRO C[C@H](CNS(=O)(=O)c1cc(F)ccc1Br)[NH+]1CCC(C)CC1 ZINC000435216955 563645461 /nfs/dbraw/zinc/64/54/61/563645461.db2.gz OIVIPOVVRQIZCE-GFCCVEGCSA-N 1 0 393.322 2.987 20 0 GFADRO [NH3+][C@H]1CCCO[C@H]1C1CCN(C(=O)NCc2ccccc2Br)CC1 ZINC000333941244 563646541 /nfs/dbraw/zinc/64/65/41/563646541.db2.gz OVPCSSUZUNRKLD-IRXDYDNUSA-N 1 0 396.329 2.877 20 0 GFADRO Cc1c(C(=O)N(C2CC2)[C@H]2CC[NH2+]C2)cnn1-c1cccc(Br)c1 ZINC000435242098 563646877 /nfs/dbraw/zinc/64/68/77/563646877.db2.gz JFCZLUCUEDYHRN-INIZCTEOSA-N 1 0 389.297 2.910 20 0 GFADRO COCC[C@@H](Cc1cccc(Br)c1)C(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000435242834 563646934 /nfs/dbraw/zinc/64/69/34/563646934.db2.gz OKRCMJYFEZZACU-YJBOKZPZSA-N 1 0 395.341 2.997 20 0 GFADRO Cn1ccnc1Sc1ncc(C(=O)N(C2CC2)[C@H]2CC[NH2+]C2)cc1Cl ZINC000435238202 563647019 /nfs/dbraw/zinc/64/70/19/563647019.db2.gz CQZUHBMRUOBSBL-ZDUSSCGKSA-N 1 0 377.901 2.586 20 0 GFADRO O=C(c1[nH]nc(-c2ccccc2)c1Br)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000435250247 563647077 /nfs/dbraw/zinc/64/70/77/563647077.db2.gz YAVRWHMOAOUBRP-ZDUSSCGKSA-N 1 0 375.270 2.806 20 0 GFADRO [NH3+]CCCOC1CCN(Cc2cn(-c3cccc(Cl)c3Cl)nn2)CC1 ZINC000435370505 563648962 /nfs/dbraw/zinc/64/89/62/563648962.db2.gz IWGABTFYWOQVPY-UHFFFAOYSA-N 1 0 384.311 2.904 20 0 GFADRO CS[C@H]1CN(S(=O)(=O)c2c(Cl)cc(F)cc2Cl)C[C@@H]1[NH+](C)C ZINC000435425148 563649622 /nfs/dbraw/zinc/64/96/22/563649622.db2.gz CCRSEPBVGNAQJD-RYUDHWBXSA-N 1 0 387.329 2.799 20 0 GFADRO C[C@H]1C[C@H](NC(=O)NC(C)(C)C[NH+]2CCCC2)c2ccsc2S1(=O)=O ZINC000334070848 563651260 /nfs/dbraw/zinc/65/12/60/563651260.db2.gz GYWGUHXGZWOSBF-JSGCOSHPSA-N 1 0 385.555 2.529 20 0 GFADRO C[C@@H]1COCC[C@@H]1C(=O)Nc1cc(Br)ccc1N1CC[NH+](C)CC1 ZINC000435609618 563654832 /nfs/dbraw/zinc/65/48/32/563654832.db2.gz AHKUUFBYPWFHER-HIFRSBDPSA-N 1 0 396.329 2.812 20 0 GFADRO C[C@]1(CNC(=O)C2CC[NH+]([C@H]3CCSC3)CC2)OCCc2sccc21 ZINC000412369804 563655492 /nfs/dbraw/zinc/65/54/92/563655492.db2.gz XLUSTXHRSCWVRJ-HNAYVOBHSA-N 1 0 380.579 2.870 20 0 GFADRO C[NH+](C)Cc1ccc(NC(=O)CNC(=O)c2ccc(Br)o2)c(F)c1 ZINC000412548435 563661239 /nfs/dbraw/zinc/66/12/39/563661239.db2.gz LVNDRKGZMHUZEI-UHFFFAOYSA-N 1 0 398.232 2.611 20 0 GFADRO Cc1cc(Br)ccc1C[N@@H+]1CCC[C@H]1C[C@]1(C)NC(=O)NC1=O ZINC000289228630 563672279 /nfs/dbraw/zinc/67/22/79/563672279.db2.gz CVFVZXUZPGPEPS-YOEHRIQHSA-N 1 0 380.286 2.710 20 0 GFADRO COc1ccc(C[C@H](CO)C[NH2+]Cc2cc(O)ccc2Br)cc1O ZINC000289453914 563674224 /nfs/dbraw/zinc/67/42/24/563674224.db2.gz NMBLECSLZIYMTI-ZDUSSCGKSA-N 1 0 396.281 2.810 20 0 GFADRO C[NH+]1CCC(C(=O)NC2CCN(Cc3cccc(Br)c3)CC2)CC1 ZINC000412972315 563677291 /nfs/dbraw/zinc/67/72/91/563677291.db2.gz NUQUKASLEILOJH-UHFFFAOYSA-N 1 0 394.357 2.872 20 0 GFADRO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000289530741 563677251 /nfs/dbraw/zinc/67/72/51/563677251.db2.gz BECNHWUEGXDQOW-RYUDHWBXSA-N 1 0 391.265 2.545 20 0 GFADRO C[NH+](C)C1CCN(C(=O)Cc2noc(-c3ccsc3Br)n2)CC1 ZINC000351110004 563681669 /nfs/dbraw/zinc/68/16/69/563681669.db2.gz VIBZJKCMWRWJSN-UHFFFAOYSA-N 1 0 399.314 2.656 20 0 GFADRO COC(=O)CC[C@@H]([NH3+])C(=O)Nc1nc(-c2ccccc2)c(Br)s1 ZINC000289643755 563681917 /nfs/dbraw/zinc/68/19/17/563681917.db2.gz CAYHMPBTSBIPPD-SNVBAGLBSA-N 1 0 398.282 2.792 20 0 GFADRO C[C@@H](Cc1ccc(F)cc1Br)[NH2+]CC1(CS(C)(=O)=O)CC1 ZINC000289738645 563684939 /nfs/dbraw/zinc/68/49/39/563684939.db2.gz NBNUNLAAQDSYSA-NSHDSACASA-N 1 0 378.307 2.934 20 0 GFADRO CS(=O)(=O)c1cc(-c2nc(CC34CCC[NH+]3CCC4)no2)ccc1Cl ZINC000351355107 563687165 /nfs/dbraw/zinc/68/71/65/563687165.db2.gz QDJKJNCBCSVERR-UHFFFAOYSA-N 1 0 381.885 2.964 20 0 GFADRO Cc1cc(C[N@@H+]2CCC[C@@H]2C[C@]2(C)NC(=O)NC2=O)ccc1Br ZINC000289835640 563688924 /nfs/dbraw/zinc/68/89/24/563688924.db2.gz ULWRUCJHMDOAAN-DYVFJYSZSA-N 1 0 380.286 2.710 20 0 GFADRO O[C@H]1[C@@H](C[NH2+]Cc2cn3ccc(Br)cc3n2)CCC12CCOCC2 ZINC000289888875 563690285 /nfs/dbraw/zinc/69/02/85/563690285.db2.gz QFMCNTKMWRHZEQ-DYVFJYSZSA-N 1 0 394.313 2.754 20 0 GFADRO COc1cc(Br)c(C[NH2+][C@@H]2CCCN(c3cccnn3)C2)cc1O ZINC000360671459 563693460 /nfs/dbraw/zinc/69/34/60/563693460.db2.gz KOUVWDIKRUBCHA-CYBMUJFWSA-N 1 0 393.285 2.712 20 0 GFADRO Cc1c(C(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)cnn1-c1ccc(Br)cc1 ZINC000289987359 563693519 /nfs/dbraw/zinc/69/35/19/563693519.db2.gz YECDHQZGWYHNQT-UONOGXRCSA-N 1 0 389.297 2.625 20 0 GFADRO Cc1cc(Br)ccc1CC(=O)NC[C@H]1CCC[C@H]1[NH+]1CCOCC1 ZINC000360674140 563693560 /nfs/dbraw/zinc/69/35/60/563693560.db2.gz SLFBHJJPOXUNOJ-SJLPKXTDSA-N 1 0 395.341 2.917 20 0 GFADRO C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@@H]1NC(=O)Cc1ccccc1Br ZINC000360537316 563693834 /nfs/dbraw/zinc/69/38/34/563693834.db2.gz QXVIJYMSUNEWEL-KYJSFNMBSA-N 1 0 395.341 2.997 20 0 GFADRO COC(=O)[C@H]1CN(c2ccnc3ccc(Br)cc32)CC[N@H+](C)C1 ZINC000413495683 563694583 /nfs/dbraw/zinc/69/45/83/563694583.db2.gz JDTIMYLDNRAVTK-GFCCVEGCSA-N 1 0 378.270 2.538 20 0 GFADRO O=C(Cn1cc(Br)ccc1=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000437861812 563700201 /nfs/dbraw/zinc/70/02/01/563700201.db2.gz CMWMWDRGVZTNKK-MRXNPFEDSA-N 1 0 396.329 2.524 20 0 GFADRO O=C(Cc1ccc(Br)c(F)c1)NC[C@@H]1CCC[C@@H]1[NH+]1CCOCC1 ZINC000361795207 563701579 /nfs/dbraw/zinc/70/15/79/563701579.db2.gz BBTMBIQWPQKCDX-YOEHRIQHSA-N 1 0 399.304 2.748 20 0 GFADRO O=C(Cc1cccc(I)c1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000290270716 563703227 /nfs/dbraw/zinc/70/32/27/563703227.db2.gz YMPKUULNVKFWKT-OAHLLOKOSA-N 1 0 398.288 2.682 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000362161522 563704312 /nfs/dbraw/zinc/70/43/12/563704312.db2.gz MXRRIEKNNBSNCW-HFBAOOFYSA-N 1 0 393.336 2.866 20 0 GFADRO O=C(Nc1cnc2c(c1)C[NH2+]CC2)c1ccc(F)cc1I ZINC000362273399 563705242 /nfs/dbraw/zinc/70/52/42/563705242.db2.gz QBBSAOZMRZPFFQ-UHFFFAOYSA-N 1 0 397.191 2.723 20 0 GFADRO C[C@@H](C[NH2+]C1CCN(S(=O)(=O)c2cccs2)CC1)Oc1ccccc1 ZINC000362294811 563705614 /nfs/dbraw/zinc/70/56/14/563705614.db2.gz WFUVGPYKYRBAFT-HNNXBMFYSA-N 1 0 380.535 2.958 20 0 GFADRO O=C(CCNc1ncc(C(F)(F)F)cc1Cl)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000290357061 563706315 /nfs/dbraw/zinc/70/63/15/563706315.db2.gz JGURDOBPCRFZDR-QWRGUYRKSA-N 1 0 376.810 2.624 20 0 GFADRO CCCCC(=O)N1CSC[C@@H]1C(=O)N(CC[NH+](C)C)Cc1cccs1 ZINC000438539340 563707416 /nfs/dbraw/zinc/70/74/16/563707416.db2.gz HRKGNAUTLXLVAS-MRXNPFEDSA-N 1 0 383.583 2.730 20 0 GFADRO Cc1cc(C(=O)N2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)ccc1Br ZINC000362726987 563708728 /nfs/dbraw/zinc/70/87/28/563708728.db2.gz RADGETDFHSXHIX-KRWDZBQOSA-N 1 0 394.357 2.998 20 0 GFADRO C[C@H](C[NH+]1CCOCC1)C(=O)N(C)[C@@H]1CCOc2ccc(Br)cc21 ZINC000438637019 563708930 /nfs/dbraw/zinc/70/89/30/563708930.db2.gz MRXIJJLZFUCEPF-CZUORRHYSA-N 1 0 397.313 2.699 20 0 GFADRO Cc1ccccc1[C@@H](O)C[NH2+]C1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000362801705 563709414 /nfs/dbraw/zinc/70/94/14/563709414.db2.gz HSPQZCPIMFPWKI-KRWDZBQOSA-N 1 0 380.535 2.533 20 0 GFADRO C[NH+](C)CCn1ccc(NC(=O)N[C@H]2CCc3c2ccc(Cl)c3Cl)n1 ZINC000438703850 563709450 /nfs/dbraw/zinc/70/94/50/563709450.db2.gz AWEACNNMZZEXSO-AWEZNQCLSA-N 1 0 382.295 3.561 20 0 GFADRO C[N@H+](CCNC(=O)N1CCC(n2cc(Br)cn2)CC1)C1CCCC1 ZINC000362860075 563710439 /nfs/dbraw/zinc/71/04/39/563710439.db2.gz RALQSMDFYIVLRB-UHFFFAOYSA-N 1 0 398.349 2.867 20 0 GFADRO Cc1cc(C(C)(C)C(=O)NC[C@H](C)N2CC[NH+](C)CC2)ccc1Br ZINC000290474899 563711319 /nfs/dbraw/zinc/71/13/19/563711319.db2.gz LMTUMRWAIVUGFC-HNNXBMFYSA-N 1 0 396.373 2.787 20 0 GFADRO CCN1C(=S)N=NC1CNC(=O)C1CC[NH+](Cc2ccc(Cl)s2)CC1 ZINC000363004671 563711618 /nfs/dbraw/zinc/71/16/18/563711618.db2.gz HNCIWOJHMPHJIP-UHFFFAOYSA-N 1 0 399.973 2.830 20 0 GFADRO O=C(/C=C/c1ccc(I)o1)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000363008103 563712126 /nfs/dbraw/zinc/71/21/26/563712126.db2.gz TZYRIIWQQAPMFL-WBIIUDBISA-N 1 0 386.233 2.640 20 0 GFADRO C[C@H]([NH2+]C[C@@](O)(c1nccn1C)C(F)(F)F)c1ccc(Br)nc1 ZINC000290569221 563714032 /nfs/dbraw/zinc/71/40/32/563714032.db2.gz FBUNRVSXBFGYEF-TVQRCGJNSA-N 1 0 393.207 2.678 20 0 GFADRO Fc1cc(Br)c(I)cc1CN[C@@H]1CC[NH2+]C1 ZINC000414865183 563753898 /nfs/dbraw/zinc/75/38/98/563753898.db2.gz CWRXJMJWFFGXBH-MRVPVSSYSA-N 1 0 399.045 2.644 20 0 GFADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1cc2ccc(Br)cc2[nH]1 ZINC000363176055 563716781 /nfs/dbraw/zinc/71/67/81/563716781.db2.gz DXPOMRZBUVBYFW-ZIAGYGMSSA-N 1 0 378.270 2.523 20 0 GFADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)NC1(c2cccc(Br)c2)CC1 ZINC000363181285 563716790 /nfs/dbraw/zinc/71/67/90/563716790.db2.gz VULIVBBOUGGKIH-CVEARBPZSA-N 1 0 394.313 2.601 20 0 GFADRO CCNC(=O)c1ccc(C[NH2+][C@H](C)Cn2cc(Br)ccc2=O)cc1 ZINC000414068192 563717462 /nfs/dbraw/zinc/71/74/62/563717462.db2.gz JMWQXOSLHZHDNY-CYBMUJFWSA-N 1 0 392.297 2.539 20 0 GFADRO C[C@H]([NH2+]CCC(=O)N(C)Cc1ccccc1Br)c1ccn(C)n1 ZINC000414082560 563718189 /nfs/dbraw/zinc/71/81/89/563718189.db2.gz FQNMXBDAVAPMTO-ZDUSSCGKSA-N 1 0 379.302 2.882 20 0 GFADRO CN(C(=O)c1c[nH]c(=O)c(Br)c1)C1CCN(c2cc[nH+]cc2)CC1 ZINC000363265324 563718395 /nfs/dbraw/zinc/71/83/95/563718395.db2.gz BBRYSZNXGLCOQH-UHFFFAOYSA-N 1 0 391.269 2.686 20 0 GFADRO COc1ccc(C[C@@H](C)[NH2+][C@H](C(N)=O)c2cccc(Br)c2)cn1 ZINC000414126851 563720465 /nfs/dbraw/zinc/72/04/65/563720465.db2.gz FRLSFZSIKMWMND-BZNIZROVSA-N 1 0 378.270 2.600 20 0 GFADRO O=S(=O)(c1ccc(F)c(Br)c1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000439242039 563720702 /nfs/dbraw/zinc/72/07/02/563720702.db2.gz YMAHHLYLZIBEFN-LBPRGKRZSA-N 1 0 391.306 2.837 20 0 GFADRO C[C@@H](Cn1cc(Br)ccc1=O)[N@@H+]1CCC[C@@H](CC(C)(C)C(N)=O)C1 ZINC000414152259 563721124 /nfs/dbraw/zinc/72/11/24/563721124.db2.gz XCDBRZLIQQRPEZ-KBPBESRZSA-N 1 0 398.345 2.613 20 0 GFADRO C[NH+]1CCN(C[C@H](O)COc2ccc3cc(Br)ccc3c2)CC1 ZINC000414168178 563721666 /nfs/dbraw/zinc/72/16/66/563721666.db2.gz ULRRSRHRYCJQLM-KRWDZBQOSA-N 1 0 379.298 2.589 20 0 GFADRO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@@](C)(CO)c1ccccc1 ZINC000414165349 563721935 /nfs/dbraw/zinc/72/19/35/563721935.db2.gz POFQPQSOPOWNIZ-KSSFIOAISA-N 1 0 379.298 2.539 20 0 GFADRO C[NH+](C)CC(C)(C)CN(C(=O)[C@H]1CCOC1)c1ccc(Br)cn1 ZINC000439290911 563722237 /nfs/dbraw/zinc/72/22/37/563722237.db2.gz ATDXVSSKFSLDQR-ZDUSSCGKSA-N 1 0 384.318 2.801 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)C(=O)N1CC[N@H+](C)CC[C@H]1C ZINC000439342225 563722668 /nfs/dbraw/zinc/72/26/68/563722668.db2.gz CBUPBUKWKOHELD-GFCCVEGCSA-N 1 0 382.302 2.503 20 0 GFADRO C[N@H+](C[C@H](O)COc1cc(F)cc(Br)c1)C[C@@H]1CCCC[C@@H]1O ZINC000439428191 563723702 /nfs/dbraw/zinc/72/37/02/563723702.db2.gz YIDNOPZXXDASFI-NUTKFTJISA-N 1 0 390.293 2.811 20 0 GFADRO COc1ccccc1N1CC[C@@H](C[NH2+]Cc2ccc(S(C)(=O)=O)s2)C1 ZINC000414324893 563726421 /nfs/dbraw/zinc/72/64/21/563726421.db2.gz WNWKJHODBHQSNC-AWEZNQCLSA-N 1 0 380.535 2.776 20 0 GFADRO C[C@@H]1C[N@H+](C[C@H](O)COc2cc(F)cc(Br)c2)CC(C)(C)O1 ZINC000439456041 563726776 /nfs/dbraw/zinc/72/67/76/563726776.db2.gz WZMLEOCMWWLALK-RISCZKNCSA-N 1 0 376.266 2.827 20 0 GFADRO CC1(C)CC([NH2+]C2CCN(S(=O)(=O)c3cccs3)CC2)CC(C)(C)[NH2+]1 ZINC000363566213 563726929 /nfs/dbraw/zinc/72/69/29/563726929.db2.gz NUBJKWMPUIJZSJ-UHFFFAOYSA-N 1 0 385.599 2.800 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCC[C@H](CO)C1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000414329573 563726951 /nfs/dbraw/zinc/72/69/51/563726951.db2.gz DKAOLXBYHNRWRV-GARJFASQSA-N 1 0 381.325 2.843 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CC[NH2+]Cc1cnc(N(C)C)n1C ZINC000414342228 563727736 /nfs/dbraw/zinc/72/77/36/563727736.db2.gz LYTYYRDGOUQBFZ-UHFFFAOYSA-N 1 0 394.317 2.675 20 0 GFADRO CN(C)c1ncc(C[NH2+][C@@H]2CCN(c3ccccc3Br)C2)n1C ZINC000414349139 563728469 /nfs/dbraw/zinc/72/84/69/563728469.db2.gz JTQMKFYVZAZCBZ-CYBMUJFWSA-N 1 0 378.318 2.617 20 0 GFADRO CN(C)c1nc2sc(C(=O)N3C[C@@H]4C[N@@H+]5CCCC[C@@H]5[C@H]4C3)cc2s1 ZINC000363659574 563729361 /nfs/dbraw/zinc/72/93/61/563729361.db2.gz JJOXNMHJFBMSIT-RWMBFGLXSA-N 1 0 376.551 2.980 20 0 GFADRO C[C@H](CNC(=O)C(=O)Nc1cc(Cl)c(Cl)cc1F)C[NH+]1CCCC1 ZINC000439743551 563731492 /nfs/dbraw/zinc/73/14/92/563731492.db2.gz JJEFRWQVKNFDBT-SNVBAGLBSA-N 1 0 376.259 2.919 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+]CCCNc2ccccc2)cc1Br ZINC000414388771 563732769 /nfs/dbraw/zinc/73/27/69/563732769.db2.gz CXQXDSKMMUAVKR-UHFFFAOYSA-N 1 0 398.326 2.688 20 0 GFADRO O=C1C[C@H]([C@H]2CCCC[N@H+]2Cc2cc(Br)cc3c2OCC3)CN1 ZINC000363791699 563733445 /nfs/dbraw/zinc/73/34/45/563733445.db2.gz WAMBAVVRJSLGAA-XJKSGUPXSA-N 1 0 379.298 2.875 20 0 GFADRO COC[C@@H]([NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1)c1ccccc1 ZINC000414396233 563733619 /nfs/dbraw/zinc/73/36/19/563733619.db2.gz RYIQUPVHTWOAHD-OAHLLOKOSA-N 1 0 399.310 2.574 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)c1nc2ccc(Br)cn2n1)c1ccsc1 ZINC000414412310 563734740 /nfs/dbraw/zinc/73/47/40/563734740.db2.gz QMWVDWSRNCRSHV-GFCCVEGCSA-N 1 0 394.298 2.586 20 0 GFADRO CC[NH+](CC)C[C@@H](C)NS(=O)(=O)c1cc(N(C)C)ccc1Br ZINC000440070491 563735598 /nfs/dbraw/zinc/73/55/98/563735598.db2.gz KLCICSYCDCUBBS-GFCCVEGCSA-N 1 0 392.363 2.524 20 0 GFADRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NS(=O)(=O)c1ccc(OCC(F)F)cc1 ZINC000440079503 563735581 /nfs/dbraw/zinc/73/55/81/563735581.db2.gz YOCLGQLMEGJSED-ZIAGYGMSSA-N 1 0 376.469 2.729 20 0 GFADRO COC(=O)c1ccc(S(=O)(=O)N[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)c(Cl)c1 ZINC000440100498 563736508 /nfs/dbraw/zinc/73/65/08/563736508.db2.gz RPOQSZXEARSYFN-STQMWFEESA-N 1 0 388.917 2.525 20 0 GFADRO Cc1cc(Br)ccc1C(=O)N1CCC([NH2+]CC2(O)CCC2)CC1 ZINC000363912932 563737074 /nfs/dbraw/zinc/73/70/74/563737074.db2.gz ZOCGOUMQTHGUHN-UHFFFAOYSA-N 1 0 381.314 2.867 20 0 GFADRO Cc1cc(C[NH2+][C@H]2CCO[C@]3(CCS(=O)(=O)C3)C2)ccc1C(F)(F)F ZINC000414438671 563737575 /nfs/dbraw/zinc/73/75/75/563737575.db2.gz VYJBCQKSQNLEMV-GOEBONIOSA-N 1 0 377.428 2.840 20 0 GFADRO COC(=O)[C@H](Cc1ccccc1)[C@H](C)[NH2+]Cc1ccc(S(C)(=O)=O)s1 ZINC000414445612 563738170 /nfs/dbraw/zinc/73/81/70/563738170.db2.gz HQWOFHVZHVFTHS-XJKSGUPXSA-N 1 0 381.519 2.662 20 0 GFADRO C[NH2+]C[C@@H]1CCCN(S(=O)(=O)c2cc(Br)sc2Cl)C1 ZINC000440336467 563739052 /nfs/dbraw/zinc/73/90/52/563739052.db2.gz HPRXGZLSYIIODJ-QMMMGPOBSA-N 1 0 387.752 2.784 20 0 GFADRO CSc1ccccc1S(=O)(=O)N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000414456373 563739558 /nfs/dbraw/zinc/73/95/58/563739558.db2.gz DFMCXUXQUBHIHW-MRXNPFEDSA-N 1 0 384.567 2.674 20 0 GFADRO O=S(=O)(c1cc(Cl)ccc1F)N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000414465370 563741603 /nfs/dbraw/zinc/74/16/03/563741603.db2.gz ROSHQVGEHHDEMR-HNNXBMFYSA-N 1 0 390.908 2.745 20 0 GFADRO O=S(=O)(c1cc(Br)ccc1Cl)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000440446553 563742272 /nfs/dbraw/zinc/74/22/72/563742272.db2.gz RDFNVFHIOWXVAR-NSHDSACASA-N 1 0 379.707 2.618 20 0 GFADRO C[C@H]([NH3+])C1CCN(C(=O)[C@@H]2CCCN(c3ccc(Br)cn3)C2)CC1 ZINC000364139693 563744524 /nfs/dbraw/zinc/74/45/24/563744524.db2.gz OCNNLOUVQDZXNN-DZGCQCFKSA-N 1 0 395.345 2.646 20 0 GFADRO Cc1cc(Br)c(F)cc1NC(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000364195392 563745462 /nfs/dbraw/zinc/74/54/62/563745462.db2.gz AUJMEOMPWWOIID-RYUDHWBXSA-N 1 0 398.276 2.578 20 0 GFADRO OC[C@H](C[NH2+]Cc1ncc(I)s1)c1ccc(F)cc1 ZINC000414536791 563745908 /nfs/dbraw/zinc/74/59/08/563745908.db2.gz YCAKWPLJTXBHCB-JTQLQIEISA-N 1 0 392.237 2.753 20 0 GFADRO CS(=O)(=O)CC1(C[NH2+]Cc2cccc(I)c2)CCC1 ZINC000414552152 563745966 /nfs/dbraw/zinc/74/59/66/563745966.db2.gz GXNSDPLAXOGSPP-UHFFFAOYSA-N 1 0 393.290 2.596 20 0 GFADRO C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)Nc1ccccc1I ZINC000414667227 563749535 /nfs/dbraw/zinc/74/95/35/563749535.db2.gz XVJJEAUCJDUSNM-SKDRFNHKSA-N 1 0 389.237 2.526 20 0 GFADRO [NH3+]CC[C@H]1CCCN(S(=O)(=O)c2c(Cl)cc(F)cc2Br)C1 ZINC000440802977 563750426 /nfs/dbraw/zinc/75/04/26/563750426.db2.gz TZNGOTDXWOHJLE-SECBINFHSA-N 1 0 399.713 2.991 20 0 GFADRO CN1C(=O)C[C@@H](C(=O)NC2CC[NH+](C)CC2)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000364349352 563750552 /nfs/dbraw/zinc/75/05/52/563750552.db2.gz BICWEISPDJWECW-CXAGYDPISA-N 1 0 384.307 2.723 20 0 GFADRO NC(=O)c1ccc(C[NH2+][C@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)cc1 ZINC000364341937 563750610 /nfs/dbraw/zinc/75/06/10/563750610.db2.gz VPURNMFBKPJFKP-HNNXBMFYSA-N 1 0 378.259 2.987 20 0 GFADRO [NH3+]CCN(Cc1ccccc1)S(=O)(=O)c1ccc(C(F)(F)F)c(F)c1 ZINC000440845112 563751806 /nfs/dbraw/zinc/75/18/06/563751806.db2.gz JGMLSQNQILKIEP-UHFFFAOYSA-N 1 0 376.375 2.994 20 0 GFADRO C[C@@H]1CN(S(=O)(=O)c2ccc(Br)c(Cl)c2Cl)C[C@H]1[NH3+] ZINC000440846345 563751821 /nfs/dbraw/zinc/75/18/21/563751821.db2.gz LYJHAZYHGCRJPT-HTRCEHHLSA-N 1 0 388.114 2.724 20 0 GFADRO C[NH2+]Cc1ccccc1NC(=O)C(=O)N(C)Cc1cc(Br)cs1 ZINC000414735418 563751842 /nfs/dbraw/zinc/75/18/42/563751842.db2.gz LRAHOGQORUQXBG-UHFFFAOYSA-N 1 0 396.310 2.827 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)Nc2ncc(Cc3cccc(Cl)c3)s2)CCCO1 ZINC000414746913 563751986 /nfs/dbraw/zinc/75/19/86/563751986.db2.gz ZYQQHVAMODMRGQ-CQSZACIVSA-N 1 0 380.901 2.969 20 0 GFADRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)Cc1cn(-c2ccccc2Br)nn1 ZINC000291653226 563752325 /nfs/dbraw/zinc/75/23/25/563752325.db2.gz USWHVMVBIWIBEA-XJKSGUPXSA-N 1 0 378.318 2.802 20 0 GFADRO COc1ccc([C@@H]2CC[NH2+]C[C@H]2NS(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000440856992 563752513 /nfs/dbraw/zinc/75/25/13/563752513.db2.gz RULLBVACMFGXNJ-ZWKOTPCHSA-N 1 0 380.897 2.773 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H](NS(=O)(=O)c2cc(Cl)c(Br)cc2F)C1 ZINC000440857153 563752521 /nfs/dbraw/zinc/75/25/21/563752521.db2.gz IIGILPVWSNEGAG-HTQZYQBOSA-N 1 0 385.686 2.790 20 0 GFADRO C[S@](=O)C1(C[NH2+]Cc2c(Br)cncc2Br)CC1 ZINC000291665678 563752837 /nfs/dbraw/zinc/75/28/37/563752837.db2.gz VSFMMHXMEIIOIK-KRWDZBQOSA-N 1 0 382.121 2.607 20 0 GFADRO Fc1cc(Br)c(I)cc1CN[C@H]1CC[NH2+]C1 ZINC000414865187 563753579 /nfs/dbraw/zinc/75/35/79/563753579.db2.gz CWRXJMJWFFGXBH-QMMMGPOBSA-N 1 0 399.045 2.644 20 0 GFADRO [NH3+]C[C@H]1CCCCN1C(=O)Nc1cc(Br)ccc1N1CCOCC1 ZINC000414927194 563754479 /nfs/dbraw/zinc/75/44/79/563754479.db2.gz LOVKUBUZCNJLGE-CQSZACIVSA-N 1 0 397.317 2.631 20 0 GFADRO FC(F)(F)[C@@H](CNCc1csc(-c2cccs2)n1)N1CC[NH2+]CC1 ZINC000414965526 563755426 /nfs/dbraw/zinc/75/54/26/563755426.db2.gz DBMRHYXLCUYCJH-CYBMUJFWSA-N 1 0 376.473 2.797 20 0 GFADRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1nc(C2CC2)ncc1Br ZINC000291730701 563755730 /nfs/dbraw/zinc/75/57/30/563755730.db2.gz JOGISLKQBUTHMA-SMDDNHRTSA-N 1 0 379.302 2.815 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1Br ZINC000364516789 563756178 /nfs/dbraw/zinc/75/61/78/563756178.db2.gz GWBSDJWKKZYGTP-KGLIPLIRSA-N 1 0 394.313 2.747 20 0 GFADRO C[C@H]1[C@@H](NC(=O)c2cnn(C)c2Br)CC[N@@H+]1Cc1ccccc1 ZINC000291735884 563756350 /nfs/dbraw/zinc/75/63/50/563756350.db2.gz IRQAGMSECUTOHC-WFASDCNBSA-N 1 0 377.286 2.575 20 0 GFADRO CO[C@H]1CCCC[C@@H]1[NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000441239710 563757502 /nfs/dbraw/zinc/75/75/02/563757502.db2.gz ATDOVAGBLXQFMS-KBMXLJTQSA-N 1 0 376.266 2.875 20 0 GFADRO COc1ccsc1C[NH2+]CCNS(=O)(=O)c1ccc(Cl)cc1F ZINC000441334810 563757729 /nfs/dbraw/zinc/75/77/29/563757729.db2.gz XQSNNGRCXHPOOT-UHFFFAOYSA-N 1 0 378.878 2.617 20 0 GFADRO CN(CC[NH3+])Cc1cc(I)c(Br)cc1F ZINC000415100966 563758924 /nfs/dbraw/zinc/75/89/24/563758924.db2.gz BDZODZNAHHWVHG-UHFFFAOYSA-N 1 0 387.034 2.583 20 0 GFADRO O=S(=O)(NCC[NH2+]Cc1cc(F)cc(F)c1)c1ccc(Cl)cc1F ZINC000441376348 563759216 /nfs/dbraw/zinc/75/92/16/563759216.db2.gz KKXABTFJVQLJAV-UHFFFAOYSA-N 1 0 378.803 2.825 20 0 GFADRO [NH3+]CC[C@@H](NC(=O)Nc1cc(Cl)ccc1N1CCSCC1)C(F)F ZINC000415123186 563759381 /nfs/dbraw/zinc/75/93/81/563759381.db2.gz PDZVXNASEYXPEX-LLVKDONJSA-N 1 0 378.876 2.997 20 0 GFADRO CN(C(=O)Nc1cc(F)c(I)c(F)c1)C1CC[NH2+]CC1 ZINC000415128377 563760373 /nfs/dbraw/zinc/76/03/73/563760373.db2.gz XLZGFLFTLMIGRM-UHFFFAOYSA-N 1 0 395.191 2.785 20 0 GFADRO [NH3+]CCCNC(=O)Nc1ccc(Br)c(I)c1 ZINC000415126597 563760541 /nfs/dbraw/zinc/76/05/41/563760541.db2.gz PREXUHIOQDGOIP-UHFFFAOYSA-N 1 0 398.042 2.524 20 0 GFADRO C[C@@H]1CCCN1C(=O)CC[N@H+](CCO)Cc1cc(Br)ccc1F ZINC000441467076 563760585 /nfs/dbraw/zinc/76/05/85/563760585.db2.gz BKWGIMHZIHAKKD-CYBMUJFWSA-N 1 0 387.293 2.784 20 0 GFADRO C[NH2+][C@@H]1CCCN(C(=O)Nc2cc(Br)ccc2-n2cccn2)C1 ZINC000415164293 563760987 /nfs/dbraw/zinc/76/09/87/563760987.db2.gz PGLVKTZCGUAAHQ-CYBMUJFWSA-N 1 0 378.274 2.851 20 0 GFADRO O=C(Nc1cc(Br)cnc1OCC(F)(F)F)N1CCC[NH2+]CC1 ZINC000415165464 563761153 /nfs/dbraw/zinc/76/11/53/563761153.db2.gz CSECWZFPXMWZKT-UHFFFAOYSA-N 1 0 397.195 2.612 20 0 GFADRO C[C@@H](CC[NH3+])NC(=O)Nc1cc(Br)cnc1OCC(F)(F)F ZINC000415181696 563761588 /nfs/dbraw/zinc/76/15/88/563761588.db2.gz YDJWASSFTHSEJH-ZETCQYMHSA-N 1 0 385.184 2.644 20 0 GFADRO O=C(Nc1cc(Br)cnc1OCC(F)(F)F)N[C@@H]1CCC[NH2+]C1 ZINC000415178533 563761882 /nfs/dbraw/zinc/76/18/82/563761882.db2.gz SINOADNZILIGFZ-SECBINFHSA-N 1 0 397.195 2.659 20 0 GFADRO [NH3+]C1CCN(C(=O)Nc2ccc(CCn3cc(Br)cn3)cc2)CC1 ZINC000415210452 563762562 /nfs/dbraw/zinc/76/25/62/563762562.db2.gz KHHQSPRLDFNHCE-UHFFFAOYSA-N 1 0 392.301 2.843 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCN(C(=O)Nc2cc(F)c(F)cc2I)C1 ZINC000415237425 563762928 /nfs/dbraw/zinc/76/29/28/563762928.db2.gz ILRKHWYKBSWPHJ-YUMQZZPRSA-N 1 0 395.191 2.770 20 0 GFADRO CC(C)(C[NH3+])NC(=O)Nc1ccc(CCn2cc(Br)cn2)cc1 ZINC000415219548 563763223 /nfs/dbraw/zinc/76/32/23/563763223.db2.gz YBSHTTKCHJBCCE-UHFFFAOYSA-N 1 0 380.290 2.747 20 0 GFADRO O=C(Nc1ccc(F)cc1I)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000415248309 563763763 /nfs/dbraw/zinc/76/37/63/563763763.db2.gz GMYSXMYYXGYREX-SKDRFNHKSA-N 1 0 389.212 2.646 20 0 GFADRO Cc1c(Br)cccc1NC(=O)C(=O)N1CCCC12CC[NH+](C)CC2 ZINC000364779854 563763826 /nfs/dbraw/zinc/76/38/26/563763826.db2.gz PBZMQRYRCMCAND-UHFFFAOYSA-N 1 0 394.313 2.783 20 0 GFADRO CN(C(=O)/C=C/c1cc(Br)c2c(c1)OCCO2)[C@H]1CCC[NH2+]CC1 ZINC000364797642 563763839 /nfs/dbraw/zinc/76/38/39/563763839.db2.gz KBKLIZFLCIVGSV-NNTXTVRGSA-N 1 0 395.297 2.834 20 0 GFADRO C[C@@H](C[NH3+])NC(=O)Nc1ccc(Br)cc1-c1nc(C2CC2)no1 ZINC000415259490 563764131 /nfs/dbraw/zinc/76/41/31/563764131.db2.gz DXMBAEZYRMEBSH-QMMMGPOBSA-N 1 0 380.246 2.845 20 0 GFADRO Cc1c(Br)ccc(NC(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)c1F ZINC000364824729 563765422 /nfs/dbraw/zinc/76/54/22/563765422.db2.gz UZXXFVMYHQTJOR-RYUDHWBXSA-N 1 0 398.276 2.578 20 0 GFADRO CC[C@@H](C)Sc1ccc(NC(=O)C(=O)NCCC[NH3+])c(C(F)(F)F)c1 ZINC000415289531 563765683 /nfs/dbraw/zinc/76/56/83/563765683.db2.gz DAAUMOZOMDPRAK-SNVBAGLBSA-N 1 0 377.432 3.000 20 0 GFADRO COC[C@]1(CNC(=O)Nc2ccc(Cl)cc2Br)CCC[NH2+]1 ZINC000415298345 563765900 /nfs/dbraw/zinc/76/59/00/563765900.db2.gz WPMMXRGSALUWNH-CQSZACIVSA-N 1 0 376.682 2.993 20 0 GFADRO C[C@H](C(=O)NCCCC[N@@H+]1CCC[C@@H]1CO)c1cccc(Br)c1 ZINC000291945799 563766220 /nfs/dbraw/zinc/76/62/20/563766220.db2.gz PVYMHFUFERFWEB-WMLDXEAASA-N 1 0 383.330 2.906 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2ccc(C(=O)OC)c(Cl)c2)C[C@H]1C ZINC000441993882 563767086 /nfs/dbraw/zinc/76/70/86/563767086.db2.gz UJYBBBKFEXDPAX-CHWSQXEVSA-N 1 0 388.917 2.620 20 0 GFADRO CCOC(=O)c1c(NC(=O)N(C)C2CC[NH2+]CC2)sc2c1CCSC2 ZINC000415334692 563767402 /nfs/dbraw/zinc/76/74/02/563767402.db2.gz KOTVESREZOPREB-UHFFFAOYSA-N 1 0 383.539 2.930 20 0 GFADRO COC(=O)c1cc(Br)ccc1NC(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000415326769 563767417 /nfs/dbraw/zinc/76/74/17/563767417.db2.gz HWHWVJCBMBKRIO-LBPRGKRZSA-N 1 0 384.274 2.889 20 0 GFADRO C[C@@H](CO)[N@@H+]1CCCN(CC2=Cc3cc(Br)ccc3OC2)CC1 ZINC000364915761 563768766 /nfs/dbraw/zinc/76/87/66/563768766.db2.gz AYVJJOSVJYMZCM-AWEZNQCLSA-N 1 0 381.314 2.613 20 0 GFADRO C[C@@H](NC(=O)C(=O)Nc1ccc(Cl)c(Br)c1)[C@H]1CCC[NH2+]C1 ZINC000415353358 563769375 /nfs/dbraw/zinc/76/93/75/563769375.db2.gz LOBSRPOGTUMAQW-ZJUUUORDSA-N 1 0 388.693 2.545 20 0 GFADRO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)Cc1csc(NC(=O)c2cccs2)n1 ZINC000292010721 563769752 /nfs/dbraw/zinc/76/97/52/563769752.db2.gz VWDAMNKZLUWYHI-GFCCVEGCSA-N 1 0 380.539 2.844 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)c(NC(=O)N2CC[C@H]([NH3+])C2)c1C ZINC000415359155 563770135 /nfs/dbraw/zinc/77/01/35/563770135.db2.gz JRZPKROAUSJVTB-ZDUSSCGKSA-N 1 0 378.274 2.817 20 0 GFADRO C[C@H](NC(=O)C(=O)Nc1ccc(Cl)cc1Br)[C@@H]1CCC[NH2+]C1 ZINC000415364317 563770638 /nfs/dbraw/zinc/77/06/38/563770638.db2.gz XUVHKJOLYIQOMB-VHSXEESVSA-N 1 0 388.693 2.545 20 0 GFADRO C[C@@](C[NH3+])(NC(=O)Nc1cccc(F)c1I)C1CC1 ZINC000415361472 563770721 /nfs/dbraw/zinc/77/07/21/563770721.db2.gz NEUADUYCADZBDP-ZDUSSCGKSA-N 1 0 377.201 2.679 20 0 GFADRO C[C@H](CCCC[NH3+])NC(=O)c1cc(F)c(F)cc1I ZINC000292051792 563771913 /nfs/dbraw/zinc/77/19/13/563771913.db2.gz JGNSQTZPVMILFV-MRVPVSSYSA-N 1 0 382.192 2.817 20 0 GFADRO C[C@H]([NH3+])C1CCN(C(=O)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)CC1 ZINC000415385138 563772113 /nfs/dbraw/zinc/77/21/13/563772113.db2.gz NQGJLUJMSSUKGY-VIFPVBQESA-N 1 0 377.794 2.883 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N2CCC([C@H](C)[NH3+])CC2)cc1Br ZINC000415393311 563772466 /nfs/dbraw/zinc/77/24/66/563772466.db2.gz YZNFAJNOQGBKEL-LBPRGKRZSA-N 1 0 382.302 2.590 20 0 GFADRO C[NH2+]CC1CCN(C(=O)C(=O)Nc2cc(Cl)ccc2C(F)(F)F)CC1 ZINC000415394909 563772554 /nfs/dbraw/zinc/77/25/54/563772554.db2.gz DKZLOPXVXFUPPX-UHFFFAOYSA-N 1 0 377.794 2.755 20 0 GFADRO O=C(CC[C@@H]1CCC[NH2+]1)NCCc1ccc(I)s1 ZINC000292087039 563773466 /nfs/dbraw/zinc/77/34/66/563773466.db2.gz MTNNIMBYDHMJKF-JTQLQIEISA-N 1 0 378.279 2.544 20 0 GFADRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)Nc1cc(Cl)ccc1SCC(F)(F)F ZINC000415419174 563774149 /nfs/dbraw/zinc/77/41/49/563774149.db2.gz UBVLURVXTRZRQL-SECBINFHSA-N 1 0 397.850 2.905 20 0 GFADRO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)Nc1cccnc1-c1ccc(Cl)s1 ZINC000415419923 563774367 /nfs/dbraw/zinc/77/43/67/563774367.db2.gz ACRZCWOVXXRBOS-LLVKDONJSA-N 1 0 380.901 2.892 20 0 GFADRO CC1(C)C[NH2+]CC[C@@H]1NC(=O)Nc1ccc(S(C)(=O)=O)c(C(F)F)c1 ZINC000415426933 563774862 /nfs/dbraw/zinc/77/48/62/563774862.db2.gz FEUQCITZPXFFJB-ZDUSSCGKSA-N 1 0 375.441 2.537 20 0 GFADRO CS(=O)(=O)c1ccc(NC(=O)NCCC[C@H]2CCC[NH2+]2)cc1C(F)F ZINC000415428967 563774952 /nfs/dbraw/zinc/77/49/52/563774952.db2.gz HUCNJDPISZPDCS-LLVKDONJSA-N 1 0 375.441 2.681 20 0 GFADRO C[NH2+]C[C@@H]1CCN(C(=O)Nc2cc(C)n(-c3ccc(Cl)c(Cl)c3)n2)C1 ZINC000415426071 563775159 /nfs/dbraw/zinc/77/51/59/563775159.db2.gz LHYLVXYTKKHMNS-LBPRGKRZSA-N 1 0 382.295 3.561 20 0 GFADRO CC(C)NC(=O)c1cnn2c1C[C@H](C[NH2+]Cc1ccc(Br)o1)CC2 ZINC000365130239 563775429 /nfs/dbraw/zinc/77/54/29/563775429.db2.gz BMSNZPCGKOPADF-GFCCVEGCSA-N 1 0 395.301 2.729 20 0 GFADRO COCCOc1ccc(Br)cc1NC(=O)N[C@@H](C[NH3+])C(C)(C)C ZINC000415435213 563775778 /nfs/dbraw/zinc/77/57/78/563775778.db2.gz YXSSUFQQYXGCCU-AWEZNQCLSA-N 1 0 388.306 2.969 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)Nc2cc(Cl)cc(C(F)(F)F)c2)C1 ZINC000415452118 563776844 /nfs/dbraw/zinc/77/68/44/563776844.db2.gz XZDCDDRKMYDEHE-VHSXEESVSA-N 1 0 377.794 2.883 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)Nc2ccc(Br)c(Cl)c2)C1 ZINC000415454146 563777039 /nfs/dbraw/zinc/77/70/39/563777039.db2.gz ZWEPZUZCGPRECZ-UWVGGRQHSA-N 1 0 388.693 2.627 20 0 GFADRO COC(=O)c1cc(Br)c(F)cc1NC(=O)NCC[C@H]1CCC[NH2+]1 ZINC000415468064 563777518 /nfs/dbraw/zinc/77/75/18/563777518.db2.gz JIZDQQMJZCOBKF-SECBINFHSA-N 1 0 388.237 2.638 20 0 GFADRO COC(=O)c1cc(Br)c(F)cc1NC(=O)N[C@@H](C[NH3+])CC(C)C ZINC000415471964 563777705 /nfs/dbraw/zinc/77/77/05/563777705.db2.gz SXINWJFIQWJPAI-SECBINFHSA-N 1 0 390.253 2.870 20 0 GFADRO COC(=O)c1cc(Br)c(F)cc1NC(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000415471903 563777750 /nfs/dbraw/zinc/77/77/50/563777750.db2.gz SLZFLHGJFXRQMZ-RKDXNWHRSA-N 1 0 388.237 2.766 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)Nc2nnc(-c3cccc(Br)c3)s2)C1 ZINC000415492120 563778982 /nfs/dbraw/zinc/77/89/82/563778982.db2.gz AMYPVIZSYQKOSU-KOLCDFICSA-N 1 0 396.314 3.169 20 0 GFADRO C[N@@H+]1CC[C@H](CNC(=O)Nc2nnc(C(F)(F)F)s2)[C@H]1c1cccs1 ZINC000365278367 563779436 /nfs/dbraw/zinc/77/94/36/563779436.db2.gz KTHSVTPOODLVAA-SCZZXKLOSA-N 1 0 391.444 3.433 20 0 GFADRO Cc1cc(NC(=O)C(=O)N(C)CC[C@@H]([NH3+])C(C)C)cc(C)c1Br ZINC000415498633 563779559 /nfs/dbraw/zinc/77/95/59/563779559.db2.gz ISIAUTZEJNKNLB-CQSZACIVSA-N 1 0 384.318 2.836 20 0 GFADRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)Nc1nnc(-c2cccc(Br)c2)s1 ZINC000415501323 563779660 /nfs/dbraw/zinc/77/96/60/563779660.db2.gz OEQDVKLNZPTANJ-JOYOIKCWSA-N 1 0 396.314 3.087 20 0 GFADRO CCCN(C(=O)C(=O)Nc1c(F)cccc1Br)C1CC[NH2+]CC1 ZINC000415503979 563780354 /nfs/dbraw/zinc/78/03/54/563780354.db2.gz DYOGURVBQKYDEQ-UHFFFAOYSA-N 1 0 386.265 2.517 20 0 GFADRO COc1c(Cl)cc(NC(=O)C(=O)N(C)CC[C@@H]([NH3+])C(C)C)cc1Cl ZINC000415504858 563780424 /nfs/dbraw/zinc/78/04/24/563780424.db2.gz PRJISXYKJCHHLT-CYBMUJFWSA-N 1 0 376.284 2.772 20 0 GFADRO [NH3+]C[C@H]1CC[C@@H](NC(=O)Nc2ccnn2Cc2cccc(Br)c2)C1 ZINC000415518422 563780816 /nfs/dbraw/zinc/78/08/16/563780816.db2.gz AGXKGOAWJMFOEX-SWLSCSKDSA-N 1 0 392.301 2.943 20 0 GFADRO [NH3+]C1(CNC(=O)Nc2ccnn2Cc2ccccc2Br)CCC1 ZINC000415518546 563780955 /nfs/dbraw/zinc/78/09/55/563780955.db2.gz BGTLFWPFCNPSFZ-UHFFFAOYSA-N 1 0 378.274 2.697 20 0 GFADRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)Nc1ccnn1Cc1ccc(Br)cc1 ZINC000415522401 563781485 /nfs/dbraw/zinc/78/14/85/563781485.db2.gz DJTKIKAKOFXKMM-JSGCOSHPSA-N 1 0 392.301 2.895 20 0 GFADRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)Nc1ccnn1Cc1cccc(Br)c1 ZINC000415527829 563782552 /nfs/dbraw/zinc/78/25/52/563782552.db2.gz OJSCFFGWEFDLKX-SWLSCSKDSA-N 1 0 392.301 2.813 20 0 GFADRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)Nc1ccnn1Cc1cccc(Br)c1 ZINC000415527943 563782722 /nfs/dbraw/zinc/78/27/22/563782722.db2.gz OXWIWHBMPITLGF-WFASDCNBSA-N 1 0 392.301 2.813 20 0 GFADRO C[C@H]([NH2+]CCOc1cccc(S(C)(=O)=O)c1)[C@@H]1OCCc2sccc21 ZINC000292320830 563782979 /nfs/dbraw/zinc/78/29/79/563782979.db2.gz FJBNRPSGGIIDNM-UGSOOPFHSA-N 1 0 381.519 2.823 20 0 GFADRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)Nc1cccnc1-c1ccc(Cl)s1 ZINC000415550517 563784268 /nfs/dbraw/zinc/78/42/68/563784268.db2.gz COIXEQZGKYDTHW-WDEREUQCSA-N 1 0 378.885 2.611 20 0 GFADRO C[C@H](CC[NH3+])NC(=O)C(=O)Nc1ccc(Br)c(Cl)c1Cl ZINC000415564593 563784277 /nfs/dbraw/zinc/78/42/77/563784277.db2.gz ZKUIVPOFHFMGQC-ZCFIWIBFSA-N 1 0 383.073 2.548 20 0 GFADRO C[C@@H]1CN(C(=O)c2cncc(I)c2)CC[N@@H+](C2CCC2)C1 ZINC000292401462 563784884 /nfs/dbraw/zinc/78/48/84/563784884.db2.gz OISGXNBQZJAFSQ-LBPRGKRZSA-N 1 0 399.276 2.633 20 0 GFADRO Cc1nc2cc(Cl)c(NC(=O)C(=O)NC[C@@]3(C)CCC[NH2+]C3)cc2s1 ZINC000415576250 563785029 /nfs/dbraw/zinc/78/50/29/563785029.db2.gz VWNAFOIBQNYZOX-KRWDZBQOSA-N 1 0 380.901 2.703 20 0 GFADRO COc1cc(NC(=O)N2CC[C@H]([NH3+])C2)c(Br)cc1Br ZINC000415588262 563785511 /nfs/dbraw/zinc/78/55/11/563785511.db2.gz OPZZORRCBNAIJI-ZETCQYMHSA-N 1 0 393.079 2.785 20 0 GFADRO CC(C)Sc1ccc(Cl)cc1NC(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000415592321 563785617 /nfs/dbraw/zinc/78/56/17/563785617.db2.gz IJCYQDVZCUWBNW-SFHVURJKSA-N 1 0 381.929 2.991 20 0 GFADRO [NH3+]CCCN(CC1CCCC1)C(=O)Nc1cc2ccc(Br)cn2n1 ZINC000415583766 563785696 /nfs/dbraw/zinc/78/56/96/563785696.db2.gz RQINALUOCDISLY-UHFFFAOYSA-N 1 0 394.317 3.470 20 0 GFADRO CC(C)Sc1ccc(Cl)cc1NC(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000415592318 563785786 /nfs/dbraw/zinc/78/57/86/563785786.db2.gz IJCYQDVZCUWBNW-GOSISDBHSA-N 1 0 381.929 2.991 20 0 GFADRO O=C(c1n[nH]c2ccc(Br)cc21)N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000365538618 563786005 /nfs/dbraw/zinc/78/60/05/563786005.db2.gz NSXRUSRIJKGGFI-PJODQICGSA-N 1 0 389.297 2.882 20 0 GFADRO O=C(Nc1cccc(Cl)c1Br)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000415598248 563786418 /nfs/dbraw/zinc/78/64/18/563786418.db2.gz VQDKGAMPZKGREY-LLVKDONJSA-N 1 0 387.709 2.614 20 0 GFADRO COc1ccc(NC(=O)N2C[C@@H](C)[NH2+]C[C@H]2C)c(I)c1 ZINC000415593480 563786430 /nfs/dbraw/zinc/78/64/30/563786430.db2.gz HDUJGDKLJDPFCC-NXEZZACHSA-N 1 0 389.237 2.514 20 0 GFADRO CN1CCO[C@H]([C@@H](NC(=O)NC[C@@H]2CCSC2)c2ccc(Cl)cc2)C1 ZINC000365551918 563786711 /nfs/dbraw/zinc/78/67/11/563786711.db2.gz FFTNDCVQUGKKPX-JQFCIGGWSA-N 1 0 383.945 2.764 20 0 GFADRO COc1ccc(NC(=O)N2CC[C@H]([NH3+])[C@@H](C)C2)c(I)c1 ZINC000415600578 563786822 /nfs/dbraw/zinc/78/68/22/563786822.db2.gz TVTMJFFURHECIN-CABZTGNLSA-N 1 0 389.237 2.501 20 0 GFADRO Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)NC(=O)[C@@H]([NH3+])CCC(N)=O ZINC000365544961 563787049 /nfs/dbraw/zinc/78/70/49/563787049.db2.gz ACMNWYAQSSXTBI-RNCFNFMXSA-N 1 0 380.901 2.542 20 0 GFADRO O=C(CCNc1ncc(C(F)(F)F)cc1Cl)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000292454500 563787188 /nfs/dbraw/zinc/78/71/88/563787188.db2.gz LDFHNWVTWRGRNL-GXFFZTMASA-N 1 0 376.810 2.766 20 0 GFADRO COC(=O)c1cc(NC(=O)N[C@@H](C[NH3+])C(C)(C)C)cc(Br)c1F ZINC000415607935 563787677 /nfs/dbraw/zinc/78/76/77/563787677.db2.gz KVHYSLYKVUJEEM-NSHDSACASA-N 1 0 390.253 2.870 20 0 GFADRO COC(=O)c1cccc(NC(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])c1Br ZINC000415614964 563788138 /nfs/dbraw/zinc/78/81/38/563788138.db2.gz PYAMBAVRRXRGRQ-ZYHUDNBSSA-N 1 0 384.274 2.875 20 0 GFADRO COC(=O)c1cccc(NC(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)c1Br ZINC000415618673 563788257 /nfs/dbraw/zinc/78/82/57/563788257.db2.gz XFCWZJMACYDRQW-GXTWGEPZSA-N 1 0 396.285 2.745 20 0 GFADRO CC(C)c1cc(Br)ccc1NC(=O)C(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000415610721 563788315 /nfs/dbraw/zinc/78/83/15/563788315.db2.gz IQZNYVUGXMNKJJ-NHYWBVRUSA-N 1 0 382.302 2.625 20 0 GFADRO COC(=O)c1cc(F)c(Br)cc1NC(=O)NC1(C)CC[NH2+]CC1 ZINC000415631731 563788673 /nfs/dbraw/zinc/78/86/73/563788673.db2.gz OIPXBALBWQMGQQ-UHFFFAOYSA-N 1 0 388.237 2.638 20 0 GFADRO CSC[C@H]1CCC[N@H+](CC(=O)Nc2cc(Cl)ccc2-n2cncn2)C1 ZINC000292498701 563789066 /nfs/dbraw/zinc/78/90/66/563789066.db2.gz UIMYEHIPEMYSSY-ZDUSSCGKSA-N 1 0 379.917 2.934 20 0 GFADRO CSc1ccc(NC(=O)C(=O)N2CCC3(CC[NH2+]CC3)CC2)cc1Cl ZINC000415639719 563789875 /nfs/dbraw/zinc/78/98/75/563789875.db2.gz HEDSXZCMKAGQGT-UHFFFAOYSA-N 1 0 381.929 2.993 20 0 GFADRO CCOC(=O)c1cc(Cl)cc(S(=O)(=O)N2CCC[C@H]([NH+](C)C)CC2)c1 ZINC000292552062 563789930 /nfs/dbraw/zinc/78/99/30/563789930.db2.gz KFZXUQVJXGDNIW-HNNXBMFYSA-N 1 0 388.917 2.622 20 0 GFADRO CC(C)[C@H]1C[C@@H]([NH2+]CCNS(=O)(=O)c2ccc(Cl)cc2F)CS1 ZINC000443064549 563790181 /nfs/dbraw/zinc/79/01/81/563790181.db2.gz PMMYPTCGXDMTHW-TZMCWYRMSA-N 1 0 380.938 2.877 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(-c3ccc(Cl)s3)nc2)C1 ZINC000415642684 563790194 /nfs/dbraw/zinc/79/01/94/563790194.db2.gz IEEZTONFKPPITH-GHMZBOCLSA-N 1 0 378.885 2.788 20 0 GFADRO Cc1cc(Cl)cc(NC(=O)C(=O)N[C@@H]2CC[NH2+][C@H](C)C2)c1Br ZINC000415665210 563790464 /nfs/dbraw/zinc/79/04/64/563790464.db2.gz UGSAZIIZFFUMQX-MWLCHTKSSA-N 1 0 388.693 2.606 20 0 GFADRO O=C(c1c[nH]c(=O)c(Br)c1)N1CCC[C@H](C[NH+]2CCCCC2)C1 ZINC000365664313 563790595 /nfs/dbraw/zinc/79/05/95/563790595.db2.gz YWDDHQMYNAUICF-CYBMUJFWSA-N 1 0 382.302 2.888 20 0 GFADRO [NH3+]CC[C@H]1CCCN(C(=O)C(=O)Nc2cc(Cl)cc(C(F)(F)F)c2)C1 ZINC000415673245 563790906 /nfs/dbraw/zinc/79/09/06/563790906.db2.gz CFFHAHLSYMZWHT-SNVBAGLBSA-N 1 0 377.794 2.885 20 0 GFADRO Cc1ccc(Cl)c(S(=O)(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)c1Cl ZINC000443090198 563791077 /nfs/dbraw/zinc/79/10/77/563791077.db2.gz QUERGCCOWFBGDA-UHFFFAOYSA-N 1 0 394.368 2.606 20 0 GFADRO COC(=O)c1cc(NC(=O)N[C@H]2CC[NH2+]C[C@H]2C)c(C)cc1Br ZINC000415715858 563793414 /nfs/dbraw/zinc/79/34/14/563793414.db2.gz ZJQXQDJKJCKERP-MFKMUULPSA-N 1 0 384.274 2.664 20 0 GFADRO Cc1cc(NC(=O)C(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)ccc1Br ZINC000415766294 563794998 /nfs/dbraw/zinc/79/49/98/563794998.db2.gz SBOVQIRYTHSXNQ-CQSZACIVSA-N 1 0 394.313 2.544 20 0 GFADRO C[N@@H+]1CC[C@@]2(CCN(C(=O)Nc3cccc(I)c3)C2)C1 ZINC000292777499 563795046 /nfs/dbraw/zinc/79/50/46/563795046.db2.gz LPHWSBLMWQFKIK-OAHLLOKOSA-N 1 0 385.249 2.851 20 0 GFADRO CC1(C)C[NH2+]CC[C@@H]1NC(=O)Nc1ccn(-c2ccc(Br)cc2)n1 ZINC000415762108 563795149 /nfs/dbraw/zinc/79/51/49/563795149.db2.gz VRPZSVMDHPYYDZ-AWEZNQCLSA-N 1 0 392.301 3.144 20 0 GFADRO [NH3+][C@@H]1CCC[C@H](CNC(=O)C(=O)Nc2cccc(Cl)c2Br)C1 ZINC000415804944 563796735 /nfs/dbraw/zinc/79/67/35/563796735.db2.gz IMMSPKYYZWNHNY-VHSXEESVSA-N 1 0 388.693 2.675 20 0 GFADRO Cc1nc(NC(=O)N(CC[NH3+])CCO)sc1Cc1cccc(Cl)c1F ZINC000415805834 563797704 /nfs/dbraw/zinc/79/77/04/563797704.db2.gz JMTDZCLSWVRSHK-UHFFFAOYSA-N 1 0 386.880 2.620 20 0 GFADRO CCOc1c(Cl)cc(NC(=O)C(=O)N[C@@H](C[NH3+])C2CCCC2)cc1Cl ZINC000415825266 563798058 /nfs/dbraw/zinc/79/80/58/563798058.db2.gz YXLNTVNGYDJYQL-AWEZNQCLSA-N 1 0 388.295 2.964 20 0 GFADRO [NH3+]C[C@H](NC(=O)C(=O)Nc1ccc(Cl)cc1OC(F)F)C1CCCC1 ZINC000415825478 563798408 /nfs/dbraw/zinc/79/84/08/563798408.db2.gz ZZGUZGUHNCKZPD-LBPRGKRZSA-N 1 0 375.803 2.514 20 0 GFADRO [NH3+]C[C@H](NC(=O)C(=O)Nc1cc2c(cc1Br)CCC2)C1CCCC1 ZINC000415828264 563798965 /nfs/dbraw/zinc/79/89/65/563798965.db2.gz BELQXSYLMZWVCK-INIZCTEOSA-N 1 0 394.313 2.510 20 0 GFADRO CC(C)c1cc(Br)ccc1NC(=O)C(=O)N1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000415837772 563799079 /nfs/dbraw/zinc/79/90/79/563799079.db2.gz CQYDVKLASZEMEX-QWHCGFSZSA-N 1 0 396.329 2.954 20 0 GFADRO C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(C(F)(F)F)cc2Cl)C[C@@H]1C[NH3+] ZINC000415855775 563799781 /nfs/dbraw/zinc/79/97/81/563799781.db2.gz YZVXZAXPADDQEV-ZJUUUORDSA-N 1 0 377.794 2.741 20 0 GFADRO C[C@@H]1CN(C(=O)C(=O)Nc2cc(Cl)cc(C(F)(F)F)c2)C[C@@]1(C)C[NH3+] ZINC000415846155 563799849 /nfs/dbraw/zinc/79/98/49/563799849.db2.gz XTLFJYCAARPGSL-RFAUZJTJSA-N 1 0 377.794 2.741 20 0 GFADRO CC[NH2+]Cc1cccc(NC(=O)NCc2ccc(S(=O)(=O)CC)s2)c1 ZINC000415916470 563800589 /nfs/dbraw/zinc/80/05/89/563800589.db2.gz HTFZKVXTGHKVJG-UHFFFAOYSA-N 1 0 381.523 2.973 20 0 GFADRO CN(CCOc1ccc(Br)cc1)C(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000415994227 563801798 /nfs/dbraw/zinc/80/17/98/563801798.db2.gz KYOVDMBNQCLDIL-GFCCVEGCSA-N 1 0 398.223 2.749 20 0 GFADRO COc1ccc(Br)cc1CNC(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000415994596 563801970 /nfs/dbraw/zinc/80/19/70/563801970.db2.gz LQDVJLWVSYNJGN-NSHDSACASA-N 1 0 384.196 2.537 20 0 GFADRO [NH3+]CC[C@@H](NC(=O)N1CCC2(CC1)OCCc1ccsc12)C(F)(F)F ZINC000416035143 563803012 /nfs/dbraw/zinc/80/30/12/563803012.db2.gz UXKVPYXPPUDNCG-GFCCVEGCSA-N 1 0 377.432 2.601 20 0 GFADRO [NH3+]CC[C@H](NC(=O)N1CCc2cc(Br)ccc2C1)C(F)(F)F ZINC000416033649 563803170 /nfs/dbraw/zinc/80/31/70/563803170.db2.gz SAXRZGQOWMTCTF-LBPRGKRZSA-N 1 0 380.208 2.797 20 0 GFADRO COc1ccc(Br)cc1C1(C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000416144450 563807115 /nfs/dbraw/zinc/80/71/15/563807115.db2.gz NEZQPUFTJQJOPH-CYBMUJFWSA-N 1 0 379.298 2.842 20 0 GFADRO CS(=O)(=O)CC[C@H]1CCCC[N@@H+]1C[C@@H](O)COCc1ccccc1Cl ZINC000366423757 563807735 /nfs/dbraw/zinc/80/77/35/563807735.db2.gz VLNPHFBXKMHFON-IAGOWNOFSA-N 1 0 389.945 2.507 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2C(=O)Cc1cc(F)ccc1Br ZINC000366441163 563808240 /nfs/dbraw/zinc/80/82/40/563808240.db2.gz XVHQZKDZFORNHX-PVAVHDDUSA-N 1 0 399.304 2.841 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2C(=O)c1cc(Br)ccc1F ZINC000366434392 563808333 /nfs/dbraw/zinc/80/83/33/563808333.db2.gz FRVWVUQOJCCEPB-KCXAZCMYSA-N 1 0 385.277 2.912 20 0 GFADRO C[C@H]([NH2+][C@H]1CCc2c[nH]nc2C1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000366444996 563808384 /nfs/dbraw/zinc/80/83/84/563808384.db2.gz HKVJENDVJBZICS-WPRPVWTQSA-N 1 0 389.308 2.572 20 0 GFADRO Cc1c(C(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)cnn1-c1cccc(Br)c1 ZINC000293392621 563810747 /nfs/dbraw/zinc/81/07/47/563810747.db2.gz MAIMNFRPFHPVHN-GUYCJALGSA-N 1 0 389.297 2.767 20 0 GFADRO Cc1cc(C(=O)N[C@@H]2CC23CC[NH2+]CC3)nn1-c1ccc(Br)cc1 ZINC000366565321 563814687 /nfs/dbraw/zinc/81/46/87/563814687.db2.gz IYNUAYDDEOXQLL-MRXNPFEDSA-N 1 0 389.297 2.815 20 0 GFADRO Cc1cc(CCC(=O)N2C[C@H](C)[N@@H+](CCO)C[C@@H]2C)ccc1Br ZINC000416318662 563816383 /nfs/dbraw/zinc/81/63/83/563816383.db2.gz XZNXPDWRDACBFP-GJZGRUSLSA-N 1 0 383.330 2.604 20 0 GFADRO CC[NH+](CC)CCN(Cc1cccs1)C(=O)C[C@@H]1CCCS(=O)(=O)C1 ZINC000293512141 563816478 /nfs/dbraw/zinc/81/64/78/563816478.db2.gz XINVTJCUGQAXRU-INIZCTEOSA-N 1 0 386.583 2.633 20 0 GFADRO CC(C)(C)S(=O)(=O)N1CCC([NH2+]Cc2cnc(C(F)(F)F)s2)CC1 ZINC000443992844 563817588 /nfs/dbraw/zinc/81/75/88/563817588.db2.gz HHYOFIOTQWWBLH-UHFFFAOYSA-N 1 0 385.477 2.844 20 0 GFADRO CN1CC[C@@H]([NH2+]C2(Cc3ccc(F)cc3Br)CCOCC2)C1=O ZINC000293547521 563818199 /nfs/dbraw/zinc/81/81/99/563818199.db2.gz KUQHXAGAGDHDCJ-OAHLLOKOSA-N 1 0 385.277 2.500 20 0 GFADRO CNC(=O)[C@@H]([NH2+]C1CCN(Cc2ccccc2Br)CC1)C(C)C ZINC000366745296 563818696 /nfs/dbraw/zinc/81/86/96/563818696.db2.gz MJNDFBHDZUYMPH-KRWDZBQOSA-N 1 0 382.346 2.774 20 0 GFADRO O=C(NCCCCC[NH+]1CCCC1)C(=O)Nc1cccc(Br)c1 ZINC000293565453 563818777 /nfs/dbraw/zinc/81/87/77/563818777.db2.gz BERHHLRYAXAUAU-UHFFFAOYSA-N 1 0 382.302 2.770 20 0 GFADRO COc1cc(OC)c(S(=O)(=O)N(C)C2CC[NH+](C(C)C)CC2)cc1Cl ZINC000416377646 563819801 /nfs/dbraw/zinc/81/98/01/563819801.db2.gz QXHGCZWHGNEBCK-UHFFFAOYSA-N 1 0 390.933 2.851 20 0 GFADRO Cc1cc(S(=O)(=O)N2CCC[C@@H]([NH+](C)C)C2)c(F)cc1Br ZINC000416383689 563821114 /nfs/dbraw/zinc/82/11/14/563821114.db2.gz CSUYVXMCSLIHJR-LLVKDONJSA-N 1 0 379.295 2.611 20 0 GFADRO COCC1(C[NH2+][C@@H](C)c2ccc(S(=O)(=O)C(F)F)cc2)CCOCC1 ZINC000293662975 563821132 /nfs/dbraw/zinc/82/11/32/563821132.db2.gz MBRZFMOIOJMHPW-ZDUSSCGKSA-N 1 0 377.453 2.777 20 0 GFADRO C[N@@H+]1CCC[C@@H]2CN(S(=O)(=O)c3ccc(C(F)(F)F)cc3F)CC[C@H]21 ZINC000444089837 563821398 /nfs/dbraw/zinc/82/13/98/563821398.db2.gz LSFWQMHTMOCJET-BXUZGUMPSA-N 1 0 380.407 2.949 20 0 GFADRO COC(=O)[C@H](c1ccc(Cl)cc1Cl)N1CCC([N@H+](C)CCCO)CC1 ZINC000444148500 563822552 /nfs/dbraw/zinc/82/25/52/563822552.db2.gz BYNJIWZQCOBSGH-KRWDZBQOSA-N 1 0 389.323 2.986 20 0 GFADRO O=C(Nc1cc(Cl)cc(Cl)c1)[C@@H]1CCCN1C(=O)[C@H]1C[C@]12CC[NH2+]C2 ZINC000444145842 563822803 /nfs/dbraw/zinc/82/28/03/563822803.db2.gz YGQUQLPAVIOJCI-VKJFTORMSA-N 1 0 382.291 2.923 20 0 GFADRO Nc1cc[nH+]cc1C(=O)NC[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000444184994 563823138 /nfs/dbraw/zinc/82/31/38/563823138.db2.gz PRZOZGUGAZDVQV-GFCCVEGCSA-N 1 0 375.270 2.513 20 0 GFADRO CC[N@H+](CCNS(=O)(=O)c1cc(F)c(Br)cc1OC)C(C)C ZINC000444172180 563823373 /nfs/dbraw/zinc/82/33/73/563823373.db2.gz AGQDDFYYGUOZRG-UHFFFAOYSA-N 1 0 397.310 2.605 20 0 GFADRO Cc1cc(S(=O)(=O)N(C)[C@H]2CC[N@@H+](C)C[C@H]2C)c(F)cc1Br ZINC000416406944 563824047 /nfs/dbraw/zinc/82/40/47/563824047.db2.gz HJJCESNIMSAYJI-RISCZKNCSA-N 1 0 393.322 2.857 20 0 GFADRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)Cc3csc(-c4cccs4)n3)[C@H]2C1 ZINC000293864060 563825984 /nfs/dbraw/zinc/82/59/84/563825984.db2.gz JSSCMEUZHUJKFJ-LSDHHAIUSA-N 1 0 377.535 2.736 20 0 GFADRO O=C(N1CCN([C@H]2CCSC2)CC1)C1(c2cncc(Br)c2)CC1 ZINC000366966279 563826020 /nfs/dbraw/zinc/82/60/20/563826020.db2.gz MSMYZWCUDQQGKE-HNNXBMFYSA-N 1 0 396.354 2.525 20 0 GFADRO Cc1nc(-c2cc3c(s2)CC[N@H+](C[C@H]2CCN(S(C)(=O)=O)C2)C3)cs1 ZINC000366997013 563827453 /nfs/dbraw/zinc/82/74/53/563827453.db2.gz PWBGOGGVSIUKAV-CYBMUJFWSA-N 1 0 397.591 2.820 20 0 GFADRO CN(C)C(=O)CN1CCC([NH2+][C@H]2CCc3sc(Br)cc32)CC1 ZINC000293943387 563828492 /nfs/dbraw/zinc/82/84/92/563828492.db2.gz YUYQVUHYWCXXAN-ZDUSSCGKSA-N 1 0 386.359 2.640 20 0 GFADRO COc1cc(Br)c(C[N@@H+]2CCCC[C@@H]2[C@@H]2CNC(=O)C2)cc1OC ZINC000367037605 563828681 /nfs/dbraw/zinc/82/86/81/563828681.db2.gz LRXRFBAQLIDNCP-SWLSCSKDSA-N 1 0 397.313 2.957 20 0 GFADRO COc1cc(CN2CC3(C2)CCOC3)cc(I)c1OC ZINC000294030626 563829750 /nfs/dbraw/zinc/82/97/50/563829750.db2.gz OEJUMYICBTZEOB-UHFFFAOYSA-N 1 0 389.233 2.531 20 0 GFADRO CC(C)[C@@H]1CN(C(=O)c2cnc3ccc(Br)cc3c2O)CC[N@@H+]1C ZINC000444404355 563831162 /nfs/dbraw/zinc/83/11/62/563831162.db2.gz SASVTCNBLWFZTN-INIZCTEOSA-N 1 0 392.297 2.703 20 0 GFADRO CC(=O)c1ccc(Cl)c(S(=O)(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)c1 ZINC000367101843 563831222 /nfs/dbraw/zinc/83/12/22/563831222.db2.gz WLXUGELZIIUWTE-DOTOQJQBSA-N 1 0 378.881 2.658 20 0 GFADRO COC(=O)[C@H](c1cc(Cl)cc(Cl)c1)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000444800979 563837485 /nfs/dbraw/zinc/83/74/85/563837485.db2.gz LUAOCCQHRWIDSN-WBMJQRKESA-N 1 0 389.323 2.985 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2C(=O)[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000367289096 563839322 /nfs/dbraw/zinc/83/93/22/563839322.db2.gz ZTMREVZIYPYJDI-VQHPVUNQSA-N 1 0 387.307 2.737 20 0 GFADRO Brc1c(CN2CC[NH+]([C@H]3CCSC3)CC2)nc2ccccn12 ZINC000367318334 563840808 /nfs/dbraw/zinc/84/08/08/563840808.db2.gz QDXWWVLUXMZZPH-ZDUSSCGKSA-N 1 0 381.343 2.720 20 0 GFADRO COC(=O)c1cc(C[NH+]2CCC(n3cc(Br)cn3)CC2)cn1C ZINC000367356116 563841392 /nfs/dbraw/zinc/84/13/92/563841392.db2.gz JRPNAYOLMYGMRI-UHFFFAOYSA-N 1 0 381.274 2.608 20 0 GFADRO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[NH2+][C@H]1CCC(=O)N[C@@H]1C1CC1 ZINC000367446710 563845197 /nfs/dbraw/zinc/84/51/97/563845197.db2.gz GPCOSFQHBMQDKO-MAUKXSAKSA-N 1 0 384.307 2.599 20 0 GFADRO O=C(c1cc[nH]c(=O)c1Br)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000445254047 563846156 /nfs/dbraw/zinc/84/61/56/563846156.db2.gz ZQKSWTQBSJJCEX-UHFFFAOYSA-N 1 0 390.281 2.898 20 0 GFADRO C[N@@H+]1CCC[C@@H](CCNS(=O)(=O)Cc2ccc(Br)c(F)c2)C1 ZINC000416559979 563848296 /nfs/dbraw/zinc/84/82/96/563848296.db2.gz RMPFZRPWPUOEFC-LBPRGKRZSA-N 1 0 393.322 2.740 20 0 GFADRO C[N@@H+]1CC[C@H]2CCN(C(=O)c3cc(Br)cnc3OCC3CC3)C[C@@H]21 ZINC000367592776 563849834 /nfs/dbraw/zinc/84/98/34/563849834.db2.gz FJISDAVCFSAJBG-BBRMVZONSA-N 1 0 394.313 2.799 20 0 GFADRO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNS(=O)(=O)c1cccs1 ZINC000416607542 563852979 /nfs/dbraw/zinc/85/29/79/563852979.db2.gz PWDPLRHJKIMZBT-IAGOWNOFSA-N 1 0 380.535 2.564 20 0 GFADRO CS[C@@H]1CN(S(=O)(=O)c2c(F)cccc2Cl)C[C@@H]1[NH+]1CCCC1 ZINC000445736404 563853361 /nfs/dbraw/zinc/85/33/61/563853361.db2.gz ROLQQQPSHUWUMU-UONOGXRCSA-N 1 0 378.922 2.679 20 0 GFADRO C[NH+]1CCC2(CCCN2S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)CC1 ZINC000367753585 563854063 /nfs/dbraw/zinc/85/40/63/563854063.db2.gz ZQOQYOKATWYAQQ-UHFFFAOYSA-N 1 0 384.370 2.631 20 0 GFADRO C[C@@H](CNC(=O)NCC1([NH+](C)C)CCC1)Oc1ccc(Br)cc1 ZINC000445849010 563854871 /nfs/dbraw/zinc/85/48/71/563854871.db2.gz JFBAVECATSQKMJ-ZDUSSCGKSA-N 1 0 384.318 3.000 20 0 GFADRO C[NH+](C)C1(CNC(=O)N[C@H]2CCN(c3ccc(Br)cc3)C2)CCC1 ZINC000445876713 563855198 /nfs/dbraw/zinc/85/51/98/563855198.db2.gz YRGDDRWNFSSCDS-HNNXBMFYSA-N 1 0 395.345 2.811 20 0 GFADRO CC(C)[C@H](CC(F)(F)F)[NH2+]CC(=O)Nc1cc(S(C)(=O)=O)ccc1F ZINC000445903320 563855770 /nfs/dbraw/zinc/85/57/70/563855770.db2.gz KRHADDITTOFVAO-ZDUSSCGKSA-N 1 0 384.395 2.734 20 0 GFADRO C[C@@H]1c2cc(Cl)cc(Cl)c2CCN1C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000445899297 563855787 /nfs/dbraw/zinc/85/57/87/563855787.db2.gz VCDBJOJOLYSALN-OCCSQVGLSA-N 1 0 385.339 2.868 20 0 GFADRO CC(C)CN(CC[NH+](C)C)C(=O)[C@@H]1CC(=O)Nc2ccc(Br)cc21 ZINC000446076961 563857917 /nfs/dbraw/zinc/85/79/17/563857917.db2.gz CRVHZWVGAOJIQH-OAHLLOKOSA-N 1 0 396.329 2.921 20 0 GFADRO C[C@@H](Cc1ccc(F)cc1Br)[NH2+][C@@H]1CCN(C2CCOCC2)C1=O ZINC000367962206 563860990 /nfs/dbraw/zinc/86/09/90/563860990.db2.gz LBEWDJGUZLANRF-YVEFUNNKSA-N 1 0 399.304 2.889 20 0 GFADRO O=C(c1[nH]nc(-c2ccccc2)c1Br)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000368001724 563861388 /nfs/dbraw/zinc/86/13/88/563861388.db2.gz QMXRSWARSPBNLU-QWHCGFSZSA-N 1 0 375.270 2.521 20 0 GFADRO C[NH+]1CCC(O)(CNC(=O)CCC(=O)c2cc(Cl)sc2Cl)CC1 ZINC000446253415 563861815 /nfs/dbraw/zinc/86/18/15/563861815.db2.gz QTFNOWLXFNBEPL-UHFFFAOYSA-N 1 0 379.309 2.591 20 0 GFADRO C[NH+](C)CCOCCNC(=O)N[C@@H](c1ccc(F)c(Cl)c1)C(F)(F)F ZINC000446355268 563863533 /nfs/dbraw/zinc/86/35/33/563863533.db2.gz NHOYKMYBKSUVEZ-ZDUSSCGKSA-N 1 0 385.789 2.960 20 0 GFADRO O=S(=O)(c1ccc(CC(F)(F)F)cc1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000368186017 563865969 /nfs/dbraw/zinc/86/59/69/563865969.db2.gz YLRJQIGUSTVSNJ-HNNXBMFYSA-N 1 0 376.444 2.802 20 0 GFADRO COC(=O)[C@H]1CN(C(=O)Nc2cc(Cl)c(Cl)cc2F)CC[N@H+](C)C1 ZINC000417065136 563867247 /nfs/dbraw/zinc/86/72/47/563867247.db2.gz AQOPVXGPIBGISA-SECBINFHSA-N 1 0 378.231 2.701 20 0 GFADRO CCC[N@H+](CCc1cn(CC(=O)OC)nn1)Cc1ccccc1Br ZINC000446848412 563869418 /nfs/dbraw/zinc/86/94/18/563869418.db2.gz HMJPOEXBCDNPDN-UHFFFAOYSA-N 1 0 395.301 2.668 20 0 GFADRO CCOc1c(Br)cc(C(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1OC ZINC000368372083 563869544 /nfs/dbraw/zinc/86/95/44/563869544.db2.gz ZTAMEBDDELJQBC-BXUZGUMPSA-N 1 0 383.286 2.680 20 0 GFADRO CN(C(=O)c1ccncc1Br)C1CCN(c2cc[nH+]cc2)CC1 ZINC000368554441 563873892 /nfs/dbraw/zinc/87/38/92/563873892.db2.gz LBTJTCNALIGRRT-UHFFFAOYSA-N 1 0 375.270 2.980 20 0 GFADRO Brc1ccccc1-n1nnnc1CN1CCCC12CCOCC2 ZINC000368577584 563874539 /nfs/dbraw/zinc/87/45/39/563874539.db2.gz WJKKXMXHKUWWBS-UHFFFAOYSA-N 1 0 378.274 2.570 20 0 GFADRO COc1ccc(CNC(=O)N2CC[C@H]3CC[N@H+](C)C[C@H]32)cc1Br ZINC000368603308 563875413 /nfs/dbraw/zinc/87/54/13/563875413.db2.gz QHJOJGMEGCMAQD-UKRRQHHQSA-N 1 0 382.302 2.693 20 0 GFADRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NC[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000417260930 563875623 /nfs/dbraw/zinc/87/56/23/563875623.db2.gz JYECHLROHLDLMH-JKIFEVAISA-N 1 0 395.345 2.573 20 0 GFADRO C[NH2+][C@@H]1CCCN(C(=O)NC[C@H]2CCN(c3cccc(Br)c3)C2)C1 ZINC000417265077 563875785 /nfs/dbraw/zinc/87/57/85/563875785.db2.gz UAZBAUYMPSZYRS-GDBMZVCRSA-N 1 0 395.345 2.669 20 0 GFADRO COC[C@@H](C)OC[C@H](O)C[N@H+](Cc1cc(Br)ccc1F)C1CC1 ZINC000447176187 563876199 /nfs/dbraw/zinc/87/61/99/563876199.db2.gz JPJCDRWSGRPFGA-MLGOLLRUSA-N 1 0 390.293 2.965 20 0 GFADRO O=S(=O)(N[C@@H]1CC12CC[NH2+]CC2)c1cccc(Cl)c1Br ZINC000368632793 563876262 /nfs/dbraw/zinc/87/62/62/563876262.db2.gz LUSPOYZFEQPDFP-LLVKDONJSA-N 1 0 379.707 2.523 20 0 GFADRO COc1ccc(S(=O)(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c(Cl)c1Cl ZINC000447245720 563877816 /nfs/dbraw/zinc/87/78/16/563877816.db2.gz NMYSCHUKFLCAEJ-DCAQKATOSA-N 1 0 379.309 2.750 20 0 GFADRO [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NS(=O)(=O)c1ccc(F)cc1Br ZINC000447244521 563877915 /nfs/dbraw/zinc/87/79/15/563877915.db2.gz CYIAQXUCWAGFTK-BTOWRCTQSA-N 1 0 391.306 2.773 20 0 GFADRO Cc1nc(NC(=O)C(=O)Nc2ccc(C[NH+](C)C)cc2)ccc1Br ZINC000447235368 563877936 /nfs/dbraw/zinc/87/79/36/563877936.db2.gz SBZIYXZPYHZZLS-UHFFFAOYSA-N 1 0 391.269 2.791 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)NCCOc3ccc(Br)cc3)C[C@@H]21 ZINC000417318829 563878193 /nfs/dbraw/zinc/87/81/93/563878193.db2.gz MLBUWAWIZYLLAM-UHOFOFEASA-N 1 0 382.302 2.597 20 0 GFADRO Cc1cc(Br)cc(C)c1CNC(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000417370447 563878597 /nfs/dbraw/zinc/87/85/97/563878597.db2.gz UHCNGRPVOQTVDZ-ZDUSSCGKSA-N 1 0 376.245 2.862 20 0 GFADRO COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+][C@@H]1CCN(CC(F)F)C1 ZINC000417376476 563878676 /nfs/dbraw/zinc/87/86/76/563878676.db2.gz BZUSNPZPMGJNDV-WCQYABFASA-N 1 0 375.847 2.995 20 0 GFADRO COc1ccc(Br)cc1CNC(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000417378853 563879307 /nfs/dbraw/zinc/87/93/07/563879307.db2.gz HZXHURSVNMVJPP-GLQYFDAESA-N 1 0 382.302 2.727 20 0 GFADRO CC(C)[C@@H]([NH3+])CNC(=O)NCc1cc(Br)ccc1OC(F)F ZINC000417407753 563879331 /nfs/dbraw/zinc/87/93/31/563879331.db2.gz NWFGIUMAEAQXHF-NSHDSACASA-N 1 0 380.233 2.833 20 0 GFADRO CN1CCC[C@]2(CC[N@H+](Cc3nnc(-c4ccc(Br)o4)o3)C2)C1=O ZINC000368815291 563879391 /nfs/dbraw/zinc/87/93/91/563879391.db2.gz BEVXVHNIGXCXNV-MRXNPFEDSA-N 1 0 395.257 2.536 20 0 GFADRO COc1cc(Br)c(CNC(=O)N[C@H](C)CCCC[NH3+])cc1OC ZINC000417450324 563880529 /nfs/dbraw/zinc/88/05/29/563880529.db2.gz ZWJMQPRODFRGQU-LLVKDONJSA-N 1 0 388.306 2.783 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H](NC(=O)N[C@@H]2CCN(c3ccc(Br)cc3)C2)C1 ZINC000417475423 563880678 /nfs/dbraw/zinc/88/06/78/563880678.db2.gz AXURQHUEYHNULG-RBSFLKMASA-N 1 0 381.318 2.597 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)N1CCCC[C@@H]1C[NH3+] ZINC000417495220 563881745 /nfs/dbraw/zinc/88/17/45/563881745.db2.gz ZRCPMJDUNHAAAE-CQSZACIVSA-N 1 0 397.317 2.609 20 0 GFADRO CN(C(=O)c1cncc(Br)c1)C1CCN(c2cc[nH+]cc2)CC1 ZINC000368930265 563882424 /nfs/dbraw/zinc/88/24/24/563882424.db2.gz KIAHGYYAVIAVJG-UHFFFAOYSA-N 1 0 375.270 2.980 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000369037532 563885091 /nfs/dbraw/zinc/88/50/91/563885091.db2.gz YJFBVNKMABDDCC-CVEARBPZSA-N 1 0 382.302 2.820 20 0 GFADRO O=C(CC[N@@H+]1CC[C@H](NC(=O)C2CCC2)C1)Nc1ccccc1Br ZINC000369061879 563885418 /nfs/dbraw/zinc/88/54/18/563885418.db2.gz GAZCNWUHAKNDCT-AWEZNQCLSA-N 1 0 394.313 2.768 20 0 GFADRO O=C(NCC1(c2cccc(Br)c2)CC1)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000417660226 563886784 /nfs/dbraw/zinc/88/67/84/563886784.db2.gz MUEMYUSVSFNEQS-KGLIPLIRSA-N 1 0 378.314 2.732 20 0 GFADRO O=C(NCC1(c2cccc(Br)c2)CC1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000417665568 563886967 /nfs/dbraw/zinc/88/69/67/563886967.db2.gz ZFLJDUXVXKSNOJ-CZUORRHYSA-N 1 0 378.314 2.874 20 0 GFADRO C[C@@]1(C[NH3+])CCN(C(=O)NCCOc2ncc(C(F)(F)F)cc2Cl)C1 ZINC000417731593 563888204 /nfs/dbraw/zinc/88/82/04/563888204.db2.gz GCUOGEOEWKJZRP-AWEZNQCLSA-N 1 0 380.798 2.513 20 0 GFADRO COCCC[N@@H+]1CCCN(C(=O)c2n[nH]c3ccc(Br)cc32)CC1 ZINC000369171660 563888927 /nfs/dbraw/zinc/88/89/27/563888927.db2.gz LZKXDMRTVFJLPZ-UHFFFAOYSA-N 1 0 395.301 2.510 20 0 GFADRO C[NH+](C)CCN(C1CCCC1)S(=O)(=O)c1ccc(OC(F)F)c(F)c1 ZINC000447869456 563889080 /nfs/dbraw/zinc/88/90/80/563889080.db2.gz SBKHXOGYDCVCBI-UHFFFAOYSA-N 1 0 380.432 2.922 20 0 GFADRO C[C@@H](NC(=O)N[C@@H](C)CCC[NH3+])c1nc(-c2ccc(Br)cc2)no1 ZINC000417878352 563890289 /nfs/dbraw/zinc/89/02/89/563890289.db2.gz AQJMUOHERTYFEG-WDEREUQCSA-N 1 0 396.289 2.987 20 0 GFADRO C[C@@H](Cc1ccccc1Br)NC(=O)N1CCC(OCCC[NH3+])CC1 ZINC000417876921 563890332 /nfs/dbraw/zinc/89/03/32/563890332.db2.gz CINUOGNDLFHDGB-AWEZNQCLSA-N 1 0 398.345 2.920 20 0 GFADRO C[NH+]1CCC(N2CC[C@H](NC(=O)c3csc(-c4cccs4)n3)C2)CC1 ZINC000369272548 563891265 /nfs/dbraw/zinc/89/12/65/563891265.db2.gz BWDTYLBRPMUZBD-ZDUSSCGKSA-N 1 0 376.551 2.770 20 0 GFADRO CO[C@@H]1CCN(C(=O)N[C@@H](C)Cc2ccccc2Br)[C@H](C[NH3+])C1 ZINC000417902319 563891406 /nfs/dbraw/zinc/89/14/06/563891406.db2.gz WYHFIUYLKSKECY-AEGPPILISA-N 1 0 384.318 2.528 20 0 GFADRO CC(C)(CNC(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1)c1ccccc1Br ZINC000417915055 563891567 /nfs/dbraw/zinc/89/15/67/563891567.db2.gz TXASJRVZBCYIBV-KGLIPLIRSA-N 1 0 380.330 2.978 20 0 GFADRO C[C@@H](NC(=O)N1CC[C@H](C[NH3+])C1)c1nc(-c2ccc(Br)cc2)no1 ZINC000417903065 563891754 /nfs/dbraw/zinc/89/17/54/563891754.db2.gz YUEPBCJMXKHUQM-GHMZBOCLSA-N 1 0 394.273 2.550 20 0 GFADRO Cc1nn(C)c(CNCC2([NH+]3CCSCC3)CCCC2)c1Br ZINC000447942344 563891953 /nfs/dbraw/zinc/89/19/53/563891953.db2.gz HPXAOWASZNYAPO-UHFFFAOYSA-N 1 0 387.391 2.942 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+][C@H](CO)[C@@H]1CCCO1 ZINC000447975321 563892614 /nfs/dbraw/zinc/89/26/14/563892614.db2.gz HAGLMQROZBTZTK-SJORKVTESA-N 1 0 380.286 2.573 20 0 GFADRO CO[C@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)N1CC[NH2+]C(C)(C)C1 ZINC000417991679 563894272 /nfs/dbraw/zinc/89/42/72/563894272.db2.gz SFUQIEOSEIOBRN-DOMZBBRYSA-N 1 0 384.318 2.919 20 0 GFADRO [NH3+]C[C@H]1CC[C@@H](NC(=O)NCCc2c[nH]c3ccc(Br)cc23)C1 ZINC000418002800 563894533 /nfs/dbraw/zinc/89/45/33/563894533.db2.gz MMUOWCUKUVMXDG-SMDDNHRTSA-N 1 0 379.302 2.900 20 0 GFADRO Cc1cc(CNc2ccc(CN3CC[NH+](C)CC3)c(Br)c2)n(C)n1 ZINC000418004054 563894673 /nfs/dbraw/zinc/89/46/73/563894673.db2.gz BYAXETNWWUOWMG-UHFFFAOYSA-N 1 0 392.345 2.851 20 0 GFADRO Cc1cc(Br)cn2cc(CNC(=O)N[C@@H](C[NH3+])C3CCCC3)nc12 ZINC000418022001 563895524 /nfs/dbraw/zinc/89/55/24/563895524.db2.gz QKUMTRVTQUUDKK-HNNXBMFYSA-N 1 0 394.317 2.722 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)NCc2cc(Br)cc3c2OCC3)C1 ZINC000418014494 563895595 /nfs/dbraw/zinc/89/55/95/563895595.db2.gz OQQVUJYHNJDECP-WCQYABFASA-N 1 0 382.302 2.653 20 0 GFADRO CCCOC[C@H](Cc1cccc(Br)c1)NC(=O)NC[C@H](C)C[NH3+] ZINC000418032317 563896371 /nfs/dbraw/zinc/89/63/71/563896371.db2.gz PRGPSYRJFYHZQA-CJNGLKHVSA-N 1 0 386.334 2.681 20 0 GFADRO CN(CC[NH3+])C(=O)N[C@H](Cc1ccccn1)c1ccc(Br)cc1 ZINC000418054823 563897091 /nfs/dbraw/zinc/89/70/91/563897091.db2.gz AVZPBZWMZCHOGJ-MRXNPFEDSA-N 1 0 377.286 2.728 20 0 GFADRO O=C(N[C@@H]1CSc2ccc(Br)cc21)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000418090008 563898453 /nfs/dbraw/zinc/89/84/53/563898453.db2.gz BZVRMBBOGLEZLP-UHIISALHSA-N 1 0 382.327 2.847 20 0 GFADRO [NH3+]C1CCC(NC(=O)N[C@@H]2CCN(c3cccc(Br)c3)C2)CC1 ZINC000418090813 563898468 /nfs/dbraw/zinc/89/84/68/563898468.db2.gz CZJKUVIMUHHXTM-YMAMQOFZSA-N 1 0 381.318 2.597 20 0 GFADRO O=C(N[C@H]1CSc2ccc(Br)cc21)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000418092076 563898566 /nfs/dbraw/zinc/89/85/66/563898566.db2.gz FDWZCVOUBVBOEK-XJKSGUPXSA-N 1 0 382.327 2.991 20 0 GFADRO [NH3+]CC[C@H](NC(=O)N[C@H]1CSc2ccc(Br)cc21)C(F)F ZINC000418106001 563899086 /nfs/dbraw/zinc/89/90/86/563899086.db2.gz WOMGNECSFWWFFJ-UWVGGRQHSA-N 1 0 380.258 2.878 20 0 GFADRO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1Cc1ccc(Br)c2cccnc12 ZINC000418108600 563899174 /nfs/dbraw/zinc/89/91/74/563899174.db2.gz GTEIGEDUFBFYKK-UONOGXRCSA-N 1 0 378.314 2.884 20 0 GFADRO O=C(N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000418117714 563899490 /nfs/dbraw/zinc/89/94/90/563899490.db2.gz RSHYGSIHWHKROK-LMOYCYGVSA-N 1 0 382.277 2.980 20 0 GFADRO Cc1cc(CNC(=O)N[C@H]2CC[C@@H](C[NH3+])C2)ccc1I ZINC000418145032 563899872 /nfs/dbraw/zinc/89/98/72/563899872.db2.gz WMLFLPOYUPJWLC-YPMHNXCESA-N 1 0 387.265 2.526 20 0 GFADRO O=C(N[C@@H]1C[NH2+]CCC1(F)F)N[C@H]1CCOc2c(Br)cccc21 ZINC000418167007 563900292 /nfs/dbraw/zinc/90/02/92/563900292.db2.gz VDICEICWGBTYDU-NWDGAFQWSA-N 1 0 390.228 2.569 20 0 GFADRO Cc1cc(Br)cc(C)c1N1CCC[C@@H](NC(=O)N[C@@H](C)C[NH3+])C1 ZINC000418179972 563900724 /nfs/dbraw/zinc/90/07/24/563900724.db2.gz KFUUHEAEDUKKTN-DZGCQCFKSA-N 1 0 383.334 2.681 20 0 GFADRO C[NH+]1CCC(CNC(=O)c2ccccc2-n2cc(Br)cn2)CC1 ZINC000448862785 563902313 /nfs/dbraw/zinc/90/23/13/563902313.db2.gz ZJILWFBMZMUIBC-UHFFFAOYSA-N 1 0 377.286 2.706 20 0 GFADRO COCC[N@@H+]1CC[C@H](NC(=O)c2cc(Cl)c(Br)cc2F)C1 ZINC000448931153 563903535 /nfs/dbraw/zinc/90/35/35/563903535.db2.gz AQHZNBAQPSBPMC-VIFPVBQESA-N 1 0 379.657 2.692 20 0 GFADRO C[NH+](C)CC1CCN(C(=O)c2ccc(I)cc2F)CC1 ZINC000448976788 563904407 /nfs/dbraw/zinc/90/44/07/563904407.db2.gz VTUKPDQENUPFGZ-UHFFFAOYSA-N 1 0 390.240 2.844 20 0 GFADRO CN1CCC([N@H+](CCO)Cc2ccnc3c(Br)cccc23)CC1 ZINC000448987975 563904816 /nfs/dbraw/zinc/90/48/16/563904816.db2.gz ACXRSKBUSWAJFC-UHFFFAOYSA-N 1 0 378.314 2.886 20 0 GFADRO NC(=O)C1(C[NH2+]C2CC(c3ccc(Br)cc3F)C2)CCOCC1 ZINC000449076057 563906610 /nfs/dbraw/zinc/90/66/10/563906610.db2.gz GNGIVKVZBQPKRQ-UHFFFAOYSA-N 1 0 385.277 2.706 20 0 GFADRO CS(=O)(=O)N1CCC(C[NH2+]Cc2cnc(-c3ccccc3F)s2)CC1 ZINC000449119101 563906980 /nfs/dbraw/zinc/90/69/80/563906980.db2.gz WJSBOFMZZVFTHZ-UHFFFAOYSA-N 1 0 383.514 2.710 20 0 GFADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+]C[C@@]1(C)CCCO1 ZINC000449184915 563907899 /nfs/dbraw/zinc/90/78/99/563907899.db2.gz ARVMTWFBORTMIE-SJKOYZFVSA-N 1 0 385.302 2.621 20 0 GFADRO CC[C@H]([NH2+]Cc1ccnc2c(Br)cccc12)C(=O)N1CCOCC1 ZINC000449172765 563907948 /nfs/dbraw/zinc/90/79/48/563907948.db2.gz DIMIYXARSUXBLU-INIZCTEOSA-N 1 0 392.297 2.724 20 0 GFADRO CS(=O)(=O)N1CCC[C@@H]1C[NH2+][C@@H]1CCc2c1ccc(F)c2Br ZINC000449216002 563908111 /nfs/dbraw/zinc/90/81/11/563908111.db2.gz PLRYXSZETUQXKZ-QMTHXVAHSA-N 1 0 391.306 2.589 20 0 GFADRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@H](C)CC(=O)Nc1ccc(Br)cc1 ZINC000537943312 564178272 /nfs/dbraw/zinc/17/82/72/564178272.db2.gz JQGRLNMALKCNPY-DFBGVHRSSA-N 1 0 382.302 2.671 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]CCOC(F)(F)F ZINC000449281044 564178969 /nfs/dbraw/zinc/17/89/69/564178969.db2.gz YSOAEYQNDFAKTJ-VIFPVBQESA-N 1 0 399.207 2.588 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+][C@H]1CC[C@H](OC)C1 ZINC000449277277 564179003 /nfs/dbraw/zinc/17/90/03/564179003.db2.gz VZKMNYKDJYYZFB-CQDKDKBSSA-N 1 0 385.302 2.620 20 0 GFADRO COC(=O)c1nn(-c2ccc(Cl)c(Cl)c2)cc1C[NH2+]C[C@@H](O)C1CC1 ZINC000449323972 564180397 /nfs/dbraw/zinc/18/03/97/564180397.db2.gz CDMOGGBFUWHFLN-OAHLLOKOSA-N 1 0 384.263 2.826 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+][C@H]1C[C@@H]1C(F)F ZINC000449319304 564180698 /nfs/dbraw/zinc/18/06/98/564180698.db2.gz JLRJWSUYKCFDFK-UWJYBYFXSA-N 1 0 377.229 2.706 20 0 GFADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)c2cc(F)c(Cl)cc2Cl)CC1 ZINC000505367256 564181133 /nfs/dbraw/zinc/18/11/33/564181133.db2.gz AOVQCWZWPBXNFF-UHFFFAOYSA-N 1 0 390.286 2.759 20 0 GFADRO C[C@H]1[C@@H]([NH2+]C2CC(c3ccc(Br)cc3F)C2)CCS1(=O)=O ZINC000449338838 564182144 /nfs/dbraw/zinc/18/21/44/564182144.db2.gz HTFSYQOOSYUWAV-QWGGPLKVSA-N 1 0 376.291 2.999 20 0 GFADRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(I)cc2)[C@@H]1n1cccn1 ZINC000449345847 564182217 /nfs/dbraw/zinc/18/22/17/564182217.db2.gz XBXXEYWBPQJAGG-XHSDSOJGSA-N 1 0 397.260 2.996 20 0 GFADRO C[C@H](CCc1ccc2c(c1)OCO2)[NH2+]CCn1cc(Br)ccc1=O ZINC000449379798 564183462 /nfs/dbraw/zinc/18/34/62/564183462.db2.gz USYGRYFRMDMFSX-CYBMUJFWSA-N 1 0 393.281 2.950 20 0 GFADRO CC1(C)CN(CCNC(=O)CCOc2ccc(Cl)cc2Cl)CCO1 ZINC000505470060 564183501 /nfs/dbraw/zinc/18/35/01/564183501.db2.gz XCHUNVNJBAMOKE-UHFFFAOYSA-N 1 0 375.296 2.989 20 0 GFADRO OCCN1CCCC[C@@H]1C[NH2+]Cc1cccc(Br)c1OC(F)F ZINC000449395338 564184831 /nfs/dbraw/zinc/18/48/31/564184831.db2.gz POFMZZHRZBAYSJ-CYBMUJFWSA-N 1 0 393.272 2.987 20 0 GFADRO CO[C@@H]1COCC[C@H]1C[NH2+]Cc1nc(-c2cccc(Br)c2)c[nH]1 ZINC000449455858 564186676 /nfs/dbraw/zinc/18/66/76/564186676.db2.gz LXXBVZFOZMRNJZ-XJKSGUPXSA-N 1 0 380.286 2.980 20 0 GFADRO CC[C@@H](CNS(C)(=O)=O)[NH2+]C1CC(c2cccc(Br)c2)C1 ZINC000449444256 564187112 /nfs/dbraw/zinc/18/71/12/564187112.db2.gz ZKYNRQHBXRHFET-BLZCZZARSA-N 1 0 375.332 2.613 20 0 GFADRO CC[C@H]([NH2+]C[C@H](O)CN(C)CCOC)c1cc(F)cc(Br)c1 ZINC000563358126 564187171 /nfs/dbraw/zinc/18/71/71/564187171.db2.gz YRELYZVJJAPPNL-HOTGVXAUSA-N 1 0 377.298 2.568 20 0 GFADRO C[NH+]1CCC2(CCCN2C(=O)[C@H]2Cc3cc(Br)ccc3O2)CC1 ZINC000471152782 564187299 /nfs/dbraw/zinc/18/72/99/564187299.db2.gz BXNDPBSOWQBROH-MRXNPFEDSA-N 1 0 379.298 2.839 20 0 GFADRO Cc1c(Br)cccc1CNC(=O)NCC1([NH+](C)C)CCOCC1 ZINC000563369109 564188183 /nfs/dbraw/zinc/18/81/83/564188183.db2.gz AQVDXIXAKIEBMR-UHFFFAOYSA-N 1 0 384.318 2.668 20 0 GFADRO O=C(Nc1ccc(I)cc1F)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000563449679 564192220 /nfs/dbraw/zinc/19/22/20/564192220.db2.gz ZXRCBHLJEHNXOH-UWVGGRQHSA-N 1 0 389.212 2.504 20 0 GFADRO Cc1ccc(C[C@@H](CO)C[NH2+]Cc2cnc3cnccn23)cc1Br ZINC000449602590 564192474 /nfs/dbraw/zinc/19/24/74/564192474.db2.gz UHCLGIZBJFBKSF-OAHLLOKOSA-N 1 0 389.297 2.741 20 0 GFADRO Cc1cc(C(=O)N2C[C@@H](C)[NH2+]C[C@@H]2C)nn1-c1ccc(Br)cc1 ZINC000505885690 564192568 /nfs/dbraw/zinc/19/25/68/564192568.db2.gz UMKNRNQQJAZCII-YPMHNXCESA-N 1 0 377.286 2.766 20 0 GFADRO O=S(=O)(NC1CC[NH+](C[C@H]2CCC3(CCCC3)O2)CC1)c1cccs1 ZINC000563457078 564192680 /nfs/dbraw/zinc/19/26/80/564192680.db2.gz IAGWWCLUGKFRHM-MRXNPFEDSA-N 1 0 384.567 2.983 20 0 GFADRO O=C(NCC[C@H]1CCC[NH2+]1)Nc1cnn(-c2ccccc2Br)c1 ZINC000563483346 564192977 /nfs/dbraw/zinc/19/29/77/564192977.db2.gz UHKKKPUROWBRCY-GFCCVEGCSA-N 1 0 378.274 2.898 20 0 GFADRO O=C1CC[C@H]([NH+]2CCN(Cc3csc(-c4cccs4)n3)CC2)CCN1 ZINC000449692250 564196963 /nfs/dbraw/zinc/19/69/63/564196963.db2.gz AWFLHQGIQXDUQX-HNNXBMFYSA-N 1 0 376.551 2.658 20 0 GFADRO Cc1cc(CN2CC[NH+]([C@H]3CCNC(=O)CC3)CC2)sc1Br ZINC000449692797 564197006 /nfs/dbraw/zinc/19/70/06/564197006.db2.gz CBRNUNGYBOVDQZ-CYBMUJFWSA-N 1 0 386.359 2.605 20 0 GFADRO C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]C[C@H](CO)Cc1ccc(F)c(Br)c1 ZINC000449685106 564197138 /nfs/dbraw/zinc/19/71/38/564197138.db2.gz RJHLGGWNUUXNJG-DFHBCGBQSA-N 1 0 385.321 2.812 20 0 GFADRO COc1ccc(Br)cc1C[C@H](CO)C[NH2+][C@H]1C[C@H](C)N(C2CC2)C1 ZINC000449685881 564197220 /nfs/dbraw/zinc/19/72/20/564197220.db2.gz WJVGRFCSDGSSLH-ZQIUZPCESA-N 1 0 397.357 2.824 20 0 GFADRO COc1ccc(Br)cc1C(=O)CCC(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000449709302 564197698 /nfs/dbraw/zinc/19/76/98/564197698.db2.gz IICLPZQIVCUWEH-YPMHNXCESA-N 1 0 383.286 2.664 20 0 GFADRO COc1ccc(CCC(=O)N[C@H](CC[NH3+])C(F)(F)F)cc1Br ZINC000449717229 564197808 /nfs/dbraw/zinc/19/78/08/564197808.db2.gz HTPWNEQAWZRTFG-GFCCVEGCSA-N 1 0 383.208 2.786 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000449717154 564198198 /nfs/dbraw/zinc/19/81/98/564198198.db2.gz DKZKDHFTUTUILC-QLFBSQMISA-N 1 0 384.567 2.595 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)N[C@H]1CC[NH2+]C1(C)C ZINC000449749880 564199383 /nfs/dbraw/zinc/19/93/83/564199383.db2.gz HAKPWIYDXRABKW-BBRMVZONSA-N 1 0 384.567 2.608 20 0 GFADRO CC1(C)Cc2ccc(Br)cc2[C@H]1NC(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000563606071 564199376 /nfs/dbraw/zinc/19/93/76/564199376.db2.gz SONLZDJLCSHIQJ-GOEBONIOSA-N 1 0 396.329 2.750 20 0 GFADRO [NH3+][C@H]1CCc2nc(NC(=O)C(=O)c3ccc(Br)cc3)sc2C1 ZINC000563625417 564200103 /nfs/dbraw/zinc/20/01/03/564200103.db2.gz OCBYTUQPKKLTPM-JTQLQIEISA-N 1 0 380.267 2.543 20 0 GFADRO Cc1[nH]c(=O)c(Br)cc1C(=O)NCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000506369009 564201770 /nfs/dbraw/zinc/20/17/70/564201770.db2.gz KDCISIUTJJHKOI-RYUDHWBXSA-N 1 0 384.318 2.956 20 0 GFADRO CN(C)C(=O)N1CCC([NH2+]Cc2nc3c(cccc3Br)[nH]2)CC1 ZINC000449768655 564202249 /nfs/dbraw/zinc/20/22/49/564202249.db2.gz AOLDIDQBASCBQZ-UHFFFAOYSA-N 1 0 380.290 2.561 20 0 GFADRO C[NH+](C)CCn1ccc(NC(=O)c2c(Cl)cc(F)cc2Br)n1 ZINC000449822463 564203731 /nfs/dbraw/zinc/20/37/31/564203731.db2.gz VWZVTSWMOUHNGT-UHFFFAOYSA-N 1 0 389.656 3.252 20 0 GFADRO CC1CC[NH+](C[C@H]2CCCN(C(=O)c3c(Br)cnn3C)C2)CC1 ZINC000449820890 564203821 /nfs/dbraw/zinc/20/38/21/564203821.db2.gz OCQIWVYQUDOGOQ-CQSZACIVSA-N 1 0 383.334 2.767 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2nc(C)c(Br)s2)C[C@H]1C ZINC000538939805 564206712 /nfs/dbraw/zinc/20/67/12/564206712.db2.gz FFUOTJKATJBTON-MWLCHTKSSA-N 1 0 396.376 2.707 20 0 GFADRO Cc1ccc(Br)cc1CC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000449899706 564208838 /nfs/dbraw/zinc/20/88/38/564208838.db2.gz SJSFMTOMDURIMX-OAHLLOKOSA-N 1 0 395.341 2.917 20 0 GFADRO Cc1ccc(Br)cc1CC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000449899705 564208956 /nfs/dbraw/zinc/20/89/56/564208956.db2.gz SJSFMTOMDURIMX-HNNXBMFYSA-N 1 0 395.341 2.917 20 0 GFADRO O=C(NCCC[NH+]1CCC(O)CC1)c1cc2c(Br)cccc2cn1 ZINC000449933668 564210089 /nfs/dbraw/zinc/21/00/89/564210089.db2.gz DBIZQVYSMXDFAA-UHFFFAOYSA-N 1 0 392.297 2.574 20 0 GFADRO CC(=O)c1cc(Br)ccc1OCC(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000506691028 564210099 /nfs/dbraw/zinc/21/00/99/564210099.db2.gz VYQBXJRPSBWSFG-GJZGRUSLSA-N 1 0 395.297 2.774 20 0 GFADRO COc1ccc(Cl)cc1C1(C[NH2+][C@@H]2CCCS(=O)(=O)C2)CCOCC1 ZINC000539308850 564215887 /nfs/dbraw/zinc/21/58/87/564215887.db2.gz RBNOAVSGLFKVSU-OAHLLOKOSA-N 1 0 387.929 2.564 20 0 GFADRO O=S(=O)(Cc1cccc(Br)c1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000563986782 564215924 /nfs/dbraw/zinc/21/59/24/564215924.db2.gz TWMBZWQSWRXVSS-MRXNPFEDSA-N 1 0 387.343 2.839 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)c2cc(F)c(F)cc2I)CC[N@@H+]1C ZINC000472247141 564217218 /nfs/dbraw/zinc/21/72/18/564217218.db2.gz OKPYBAJOAAPUNA-RKDXNWHRSA-N 1 0 394.203 2.782 20 0 GFADRO Cc1ccc(NC(=O)CN2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)c(Br)c1 ZINC000564085331 564219567 /nfs/dbraw/zinc/21/95/67/564219567.db2.gz MQPBYQPGBYIMSF-QAPCUYQASA-N 1 0 396.329 2.524 20 0 GFADRO Cc1ncc2c(n1)CC[C@H]([NH2+]Cc1cc(Br)c3c(c1)OCCO3)C2 ZINC000539448099 564220394 /nfs/dbraw/zinc/22/03/94/564220394.db2.gz FUIOMZDBYRZWHW-AWEZNQCLSA-N 1 0 390.281 2.966 20 0 GFADRO C[C@H]([NH2+]C[C@H]1CCCCN1S(=O)(=O)N(C)C)c1ccc(Cl)c(F)c1 ZINC000564153496 564222865 /nfs/dbraw/zinc/22/28/65/564222865.db2.gz UZKPAHNGFYAMRK-GXTWGEPZSA-N 1 0 377.913 2.791 20 0 GFADRO CN(C)CC[N@H+](C)CCCNC(=O)c1cc(Br)ccc1Cl ZINC000564199674 564224666 /nfs/dbraw/zinc/22/46/66/564224666.db2.gz XIIAYTJPRQJMPG-UHFFFAOYSA-N 1 0 376.726 2.716 20 0 GFADRO CC[NH+](CC)C[C@H]1CCN(S(=O)(=O)Cc2cccc(Br)c2)C1 ZINC000564355634 564230486 /nfs/dbraw/zinc/23/04/86/564230486.db2.gz IWDZZGSNFAISAE-OAHLLOKOSA-N 1 0 389.359 2.943 20 0 GFADRO Cc1ccc(S(=O)(=O)NCC[NH2+]Cc2cc(O)cc(C(F)(F)F)c2)s1 ZINC000564411742 564232490 /nfs/dbraw/zinc/23/24/90/564232490.db2.gz YCAKBKPVTPUBGL-UHFFFAOYSA-N 1 0 394.440 2.849 20 0 GFADRO CS[C@H]1CN(c2ccc(I)cn2)C[C@@H]1[NH+]1CCCC1 ZINC000450454274 564233464 /nfs/dbraw/zinc/23/34/64/564233464.db2.gz KWYWXKHMVJVUED-STQMWFEESA-N 1 0 389.306 2.702 20 0 GFADRO COC[C@]1(CNC(=O)COc2cc(Cl)c(Cl)cc2Cl)CCC[NH2+]1 ZINC000564443600 564233862 /nfs/dbraw/zinc/23/38/62/564233862.db2.gz QYKWGSBINXMNKE-OAHLLOKOSA-N 1 0 381.687 2.910 20 0 GFADRO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]CCc1ccc2c(c1)CCO2 ZINC000564474100 564234879 /nfs/dbraw/zinc/23/48/79/564234879.db2.gz CODCWFPYJKEWAJ-ZDUSSCGKSA-N 1 0 377.282 2.767 20 0 GFADRO COC1CCC([NH2+]C[C@@H](O)COc2cc(F)cc(Br)c2)CC1 ZINC000564444944 564235001 /nfs/dbraw/zinc/23/50/01/564235001.db2.gz YBTOIHBEQYSRTK-SHARSMKWSA-N 1 0 376.266 2.875 20 0 GFADRO CC(C)[N@@H+](C)C[C@H](C)NC(=O)[C@H]1CCN(c2ccccc2Br)C1=O ZINC000564501732 564235450 /nfs/dbraw/zinc/23/54/50/564235450.db2.gz ACKKDVZHHWAWNF-UONOGXRCSA-N 1 0 396.329 2.647 20 0 GFADRO C[N@@H+]1CCO[C@H]2CCN(c3ncc(Br)cc3C(F)(F)F)C[C@@H]21 ZINC000450511761 564236579 /nfs/dbraw/zinc/23/65/79/564236579.db2.gz RGGDVTLIXIJIDY-RYUDHWBXSA-N 1 0 380.208 2.772 20 0 GFADRO C[N@@H+]1CCO[C@@H]2CCN(c3ncc(Br)cc3C(F)(F)F)C[C@@H]21 ZINC000450511760 564236589 /nfs/dbraw/zinc/23/65/89/564236589.db2.gz RGGDVTLIXIJIDY-NWDGAFQWSA-N 1 0 380.208 2.772 20 0 GFADRO O=C(Nc1ccc(Br)cc1)C1CC[NH+](C[C@H]2COCCO2)CC1 ZINC000450533807 564237604 /nfs/dbraw/zinc/23/76/04/564237604.db2.gz XLFCJGRVWMDEJE-INIZCTEOSA-N 1 0 383.286 2.515 20 0 GFADRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)C(=O)Nc1ccc(F)c(Br)c1 ZINC000507675458 564238560 /nfs/dbraw/zinc/23/85/60/564238560.db2.gz KUWSSDXVEKLCDW-AAEUAGOBSA-N 1 0 398.276 2.612 20 0 GFADRO O=S(=O)(CC[NH2+]CCc1cscn1)c1cccc(Br)c1 ZINC000564563737 564239634 /nfs/dbraw/zinc/23/96/34/564239634.db2.gz MVPARQIUWZHCDV-UHFFFAOYSA-N 1 0 375.313 2.512 20 0 GFADRO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CC[C@@H](C)[S@@](C)=O ZINC000540157841 564240498 /nfs/dbraw/zinc/24/04/98/564240498.db2.gz PZENJRJVALSVSL-JWCBKOKGSA-N 1 0 375.332 2.913 20 0 GFADRO CS(=O)(=O)N1CCC[C@H]([NH2+][C@@H]2CCCc3ccc(Br)cc32)C1 ZINC000540175073 564240575 /nfs/dbraw/zinc/24/05/75/564240575.db2.gz PLLODVDGLUVHCK-GOEBONIOSA-N 1 0 387.343 2.840 20 0 GFADRO COCCNS(=O)(=O)c1ccc(C[NH2+][C@H](C)c2sc(C)nc2C)cc1 ZINC000540167663 564240770 /nfs/dbraw/zinc/24/07/70/564240770.db2.gz OOCMNLVUZABIGR-GFCCVEGCSA-N 1 0 383.539 2.535 20 0 GFADRO O=S1(=O)CCO[C@@H](C[NH2+][C@@H]2CCCOc3c(Cl)c(Cl)ccc32)C1 ZINC000540162208 564240860 /nfs/dbraw/zinc/24/08/60/564240860.db2.gz FGHOTHHCMIQMCT-GXFFZTMASA-N 1 0 380.293 2.610 20 0 GFADRO Cc1nc(Cc2ccccc2)sc1[C@H](C)[NH2+]C[C@@H]1CS(=O)(=O)CCO1 ZINC000540153185 564241233 /nfs/dbraw/zinc/24/12/33/564241233.db2.gz JHGFKWLNLRZZMK-XJKSGUPXSA-N 1 0 380.535 2.507 20 0 GFADRO Cc1cc(C)c(C(=O)N[C@H](C)CC[NH+]2CCN(C)CC2)cc1Br ZINC000450716201 564244668 /nfs/dbraw/zinc/24/46/68/564244668.db2.gz XWQYHPWAEQEJDN-OAHLLOKOSA-N 1 0 382.346 2.822 20 0 GFADRO COCC[C@@H](Cc1cccc(Br)c1)C(=O)N1CC[NH+]2CCC1CC2 ZINC000507861852 564245001 /nfs/dbraw/zinc/24/50/01/564245001.db2.gz SGYIFZIHITWFHS-INIZCTEOSA-N 1 0 395.341 2.951 20 0 GFADRO [NH3+]C[C@@H]1CCCN(C(=O)Nc2ccnn2Cc2ccc(Br)cc2)C1 ZINC000564715591 564246468 /nfs/dbraw/zinc/24/64/68/564246468.db2.gz VHCAZURKSDODCB-AWEZNQCLSA-N 1 0 392.301 2.897 20 0 GFADRO COc1cc(C[NH2+][C@@H]2CCO[C@H]2c2cnn(C)c2)c(Br)cc1O ZINC000564722228 564246566 /nfs/dbraw/zinc/24/65/66/564246566.db2.gz MONBDSSEUIVFRB-CJNGLKHVSA-N 1 0 382.258 2.517 20 0 GFADRO CC(=O)N1CCC[N@H+](C[C@H]2CCCN(c3ccncc3Br)C2)CC1 ZINC000450780656 564247510 /nfs/dbraw/zinc/24/75/10/564247510.db2.gz YMGHBRXYRONXPM-MRXNPFEDSA-N 1 0 395.345 2.615 20 0 GFADRO CS(=O)(=O)[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](CO)Cc1c(F)cccc1Cl ZINC000540416307 564247916 /nfs/dbraw/zinc/24/79/16/564247916.db2.gz ABBROEBCRYMJDQ-OAUYIBNBSA-N 1 0 377.909 2.576 20 0 GFADRO Cn1cc([C@@H]2CN(C(=O)[C@H]3C[C@H]3c3cc(Cl)cc(Cl)c3)C[C@H]2[NH3+])cn1 ZINC000564793206 564249037 /nfs/dbraw/zinc/24/90/37/564249037.db2.gz PKSMSZWGQJGVPT-LUKYLMHMSA-N 1 0 379.291 2.784 20 0 GFADRO COc1cc(NC(=O)NCCC2=CC[NH2+]CC2)cc(OC)c1Br ZINC000564784082 564249268 /nfs/dbraw/zinc/24/92/68/564249268.db2.gz JYBPMNGMBAQYDW-UHFFFAOYSA-N 1 0 384.274 2.898 20 0 GFADRO C[NH+]1CCC2(CCCN2S(=O)(=O)c2ccc(F)c(Br)c2)CC1 ZINC000507967483 564249751 /nfs/dbraw/zinc/24/97/51/564249751.db2.gz UOMNHALDPYWXNL-UHFFFAOYSA-N 1 0 391.306 2.837 20 0 GFADRO CN(CCC[NH+](C)C)C(=O)c1cc(F)c(F)cc1I ZINC000540515640 564250704 /nfs/dbraw/zinc/25/07/04/564250704.db2.gz AREPMQFPZOGUFZ-UHFFFAOYSA-N 1 0 382.192 2.593 20 0 GFADRO O=C(NCC1CC[NH2+]CC1)c1ccc(I)cc1Cl ZINC000564835975 564251876 /nfs/dbraw/zinc/25/18/76/564251876.db2.gz STQAHDMIUWYGBH-UHFFFAOYSA-N 1 0 378.641 2.674 20 0 GFADRO C[N@@H+]1CC[C@](O)(CNC(=O)C2(c3ccccc3Br)CCCCC2)C1 ZINC000450887520 564253316 /nfs/dbraw/zinc/25/33/16/564253316.db2.gz ZHJRMIPSTZBTHA-SFHVURJKSA-N 1 0 395.341 2.834 20 0 GFADRO CCC1(C[NH2+]C[C@H](O)COc2ccc(Cl)cc2Br)COC1 ZINC000564859349 564253652 /nfs/dbraw/zinc/25/36/52/564253652.db2.gz RUIZHVOOAPLSEL-LBPRGKRZSA-N 1 0 378.694 2.858 20 0 GFADRO C[NH+](C)[C@@H](CNS(=O)(=O)c1ccc(Br)cn1)C1CCCCC1 ZINC000473900705 564256397 /nfs/dbraw/zinc/25/63/97/564256397.db2.gz DTFNQEIRJVPDRP-AWEZNQCLSA-N 1 0 390.347 2.633 20 0 GFADRO Cc1ccc(CC(=O)N2CCC([N@@H+](C)C[C@H](C)O)CC2)c(Br)c1 ZINC000450959684 564257479 /nfs/dbraw/zinc/25/74/79/564257479.db2.gz LFSNOUONWBITNX-AWEZNQCLSA-N 1 0 383.330 2.604 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)[C@@H](c2ccc(Br)cc2)N2CCCC2)C1 ZINC000564951370 564258921 /nfs/dbraw/zinc/25/89/21/564258921.db2.gz HEEWSWYSVSSVFG-YSVLISHTSA-N 1 0 380.330 2.782 20 0 GFADRO C[C@]1(C[NH3+])CCN(C(=O)[C@@H](c2ccc(Br)cc2)N2CCCC2)C1 ZINC000564949466 564258995 /nfs/dbraw/zinc/25/89/95/564258995.db2.gz MUMJOSVNNGWHOQ-SJLPKXTDSA-N 1 0 380.330 2.783 20 0 GFADRO OC[C@H](CC1CCCC1)[NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000564978486 564260696 /nfs/dbraw/zinc/26/06/96/564260696.db2.gz NEIVCWDMSAHPMG-JKSUJKDBSA-N 1 0 390.293 2.859 20 0 GFADRO C[C@@](CO)([NH2+]C[C@H](O)COc1c(Cl)cccc1Cl)c1cccc(O)c1 ZINC000451039220 564266285 /nfs/dbraw/zinc/26/62/85/564266285.db2.gz OXGGEZZKQBEGDJ-KSSFIOAISA-N 1 0 386.275 2.936 20 0 GFADRO C[N@H+](CC(=O)N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1)[C@@H]1CCSC1 ZINC000541164726 564267468 /nfs/dbraw/zinc/26/74/68/564267468.db2.gz NATHQCRWBNIBBL-QWHCGFSZSA-N 1 0 376.448 2.503 20 0 GFADRO C[C@@H]1CCC[N@H+](CCNC(=O)c2cc(I)ccc2F)C1 ZINC000474152822 564267739 /nfs/dbraw/zinc/26/77/39/564267739.db2.gz ISIRKUNHZKLLET-LLVKDONJSA-N 1 0 390.240 2.892 20 0 GFADRO COc1cc(Br)ccc1CCC(=O)N(C)[C@@H]1C[NH+]2CCC1CC2 ZINC000541152527 564268035 /nfs/dbraw/zinc/26/80/35/564268035.db2.gz BJHVZVDSQNFLAI-MRXNPFEDSA-N 1 0 381.314 2.943 20 0 GFADRO CC(=O)[C@@](C)(O)C[NH2+]C1(Cc2ccc(F)cc2Br)CCOCC1 ZINC000451070097 564269660 /nfs/dbraw/zinc/26/96/60/564269660.db2.gz NQZDVZOLXKFWTO-INIZCTEOSA-N 1 0 388.277 2.610 20 0 GFADRO C[C@@H](CNS(=O)(=O)c1ccc(Cl)cc1Br)[NH+]1CCCC1 ZINC000541247953 564270993 /nfs/dbraw/zinc/27/09/93/564270993.db2.gz YHMZUYKJGGZNJH-JTQLQIEISA-N 1 0 381.723 2.865 20 0 GFADRO [NH3+][C@H]1C[C@H]2CN(Cc3nc(-c4cc(Cl)ccc4Cl)cs3)CCN2C1=O ZINC000565232857 564271907 /nfs/dbraw/zinc/27/19/07/564271907.db2.gz FMVSWRFBTUKUDL-FZMZJTMJSA-N 1 0 397.331 2.861 20 0 GFADRO O=C(COc1c(F)cc(F)cc1Br)NC1CC[NH+](C2CC2)CC1 ZINC000541291656 564273416 /nfs/dbraw/zinc/27/34/16/564273416.db2.gz YVBCVXLZXLPITF-UHFFFAOYSA-N 1 0 389.240 2.849 20 0 GFADRO O=C(NCc1cn2cc(Br)ccc2n1)c1ccc2c(c1)CC[NH2+]CC2 ZINC000474296450 564273546 /nfs/dbraw/zinc/27/35/46/564273546.db2.gz GVYKEGOMJDVSSE-UHFFFAOYSA-N 1 0 399.292 2.715 20 0 GFADRO C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)N1CCC1 ZINC000508878859 564274949 /nfs/dbraw/zinc/27/49/49/564274949.db2.gz NHUNYYGMLPJLIE-UHFFFAOYSA-N 1 0 380.341 2.698 20 0 GFADRO C[C@H](C1CCCCC1)[N@H+](C)CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl ZINC000565351540 564277032 /nfs/dbraw/zinc/27/70/32/564277032.db2.gz PJFJHTXGHZRFOF-GFCCVEGCSA-N 1 0 387.933 2.827 20 0 GFADRO C[C@H]([NH2+]C1CCN(C(=O)c2ccoc2)CC1)c1ncc(Br)cn1 ZINC000565378631 564278105 /nfs/dbraw/zinc/27/81/05/564278105.db2.gz UDDBABRLQSMAAA-NSHDSACASA-N 1 0 379.258 2.788 20 0 GFADRO CS(=O)(=O)c1cccc(NC(=O)[C@@H]2C[NH2+]C[C@H]2c2ccc(Cl)cc2)c1 ZINC000565370449 564278339 /nfs/dbraw/zinc/27/83/39/564278339.db2.gz YCQJDTBOMKWYGC-DLBZAZTESA-N 1 0 378.881 2.685 20 0 GFADRO CC[N@@H+]1CCC[C@H](CNS(=O)(=O)c2cc(OC)cc(C(F)(F)F)c2)C1 ZINC000451147290 564279675 /nfs/dbraw/zinc/27/96/75/564279675.db2.gz NFZNKKWSJWUORI-GFCCVEGCSA-N 1 0 380.432 2.724 20 0 GFADRO Cc1cc(NC(=O)CC[NH2+]C[C@H](C)Oc2ccccc2Br)no1 ZINC000565416802 564279841 /nfs/dbraw/zinc/27/98/41/564279841.db2.gz HZKGBFYQONJGCJ-LBPRGKRZSA-N 1 0 382.258 3.131 20 0 GFADRO C[C@H](CCc1ccc(I)cc1)[NH2+][C@@H]1CCCCNC1=O ZINC000474467365 564279855 /nfs/dbraw/zinc/27/98/55/564279855.db2.gz DSLSLJMJHMWZIS-IUODEOHRSA-N 1 0 386.277 2.871 20 0 GFADRO C[N@@H+]1CC[C@@H]2CCN(S(=O)(=O)c3ccc(Cl)cc3Br)[C@H]2C1 ZINC000541536897 564282617 /nfs/dbraw/zinc/28/26/17/564282617.db2.gz CDKAHGWXFTXKHM-MFKMUULPSA-N 1 0 393.734 2.817 20 0 GFADRO Cc1ncsc1CCS(=O)(=O)N(CC[NH+](C)C)Cc1cccc(C)c1 ZINC000451171164 564282866 /nfs/dbraw/zinc/28/28/66/564282866.db2.gz RQPFKJJVWPCGRW-UHFFFAOYSA-N 1 0 381.567 2.696 20 0 GFADRO CC[NH+](CC)CCN(CCOC)S(=O)(=O)C1CCC(C(F)(F)F)CC1 ZINC000451172560 564282915 /nfs/dbraw/zinc/28/29/15/564282915.db2.gz OZBYPNSHSJDDIL-UHFFFAOYSA-N 1 0 388.496 2.728 20 0 GFADRO NC(=O)C1CC[NH+](C[C@H](NCc2nccs2)c2ccc(Cl)cc2)CC1 ZINC000541550545 564283479 /nfs/dbraw/zinc/28/34/79/564283479.db2.gz WNWBQZMUQMBUQQ-INIZCTEOSA-N 1 0 378.929 2.825 20 0 GFADRO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)Cc1ccc(Br)c(F)c1 ZINC000451186596 564284645 /nfs/dbraw/zinc/28/46/45/564284645.db2.gz DWHGFIKUIXAQIX-YPMHNXCESA-N 1 0 391.306 2.587 20 0 GFADRO CCNC(=O)CC[N@@H+]1CC[C@@H](Cc2cccc(I)c2)C1 ZINC000451189797 564285068 /nfs/dbraw/zinc/28/50/68/564285068.db2.gz KEOVTDRLKWLVBK-AWEZNQCLSA-N 1 0 386.277 2.682 20 0 GFADRO COc1cc(C[NH2+][C@@](C)(CO)C(C)C)cc(I)c1OC ZINC000565543231 564285621 /nfs/dbraw/zinc/28/56/21/564285621.db2.gz GFDMXBFXTBJGIB-HNNXBMFYSA-N 1 0 393.265 2.805 20 0 GFADRO O=C(NCC[N@H+]1CC=CCC1)N[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000474753583 564288362 /nfs/dbraw/zinc/28/83/62/564288362.db2.gz RLMNGTPNBGQBCB-INIZCTEOSA-N 1 0 393.329 2.589 20 0 GFADRO C[C@@H](CCc1ccc(I)cc1)[NH2+][C@@H]1CCCN(C)C1=O ZINC000474800657 564289259 /nfs/dbraw/zinc/28/92/59/564289259.db2.gz URURDZFQDVQULY-SWLSCSKDSA-N 1 0 386.277 2.823 20 0 GFADRO C[NH+](C)C[C@@H](NC(=O)c1cc[nH]c(=O)c1Br)c1ccc(F)cc1 ZINC000565678466 564291046 /nfs/dbraw/zinc/29/10/46/564291046.db2.gz NJGFTGIWXXCUBE-CYBMUJFWSA-N 1 0 382.233 2.722 20 0 GFADRO CO[C@@H](CS(=O)(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1)C1CC1 ZINC000565713701 564292917 /nfs/dbraw/zinc/29/29/17/564292917.db2.gz JRDCAXNBKFHWAC-SJORKVTESA-N 1 0 386.583 2.866 20 0 GFADRO C[C@@H]([NH2+][C@H](CCO)c1ccccc1Br)C1CCS(=O)(=O)CC1 ZINC000474947451 564294495 /nfs/dbraw/zinc/29/44/95/564294495.db2.gz PNQLFBGBPDRHBM-MLGOLLRUSA-N 1 0 390.343 2.676 20 0 GFADRO C[C@H](CCc1ccc(I)cc1)[NH2+][C@@H](C)C[S@@](C)=O ZINC000474937767 564294812 /nfs/dbraw/zinc/29/48/12/564294812.db2.gz YSMARZIFYSALID-FTLABTOESA-N 1 0 379.307 2.969 20 0 GFADRO OC[C@@H]([NH2+]C[C@@H](O)COc1cccc(Br)c1)c1cccc(F)c1 ZINC000541955720 564296343 /nfs/dbraw/zinc/29/63/43/564296343.db2.gz ZSOZFJODKLZJFR-NVXWUHKLSA-N 1 0 384.245 2.651 20 0 GFADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)N[C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000541977304 564296463 /nfs/dbraw/zinc/29/64/63/564296463.db2.gz FEBLAQFWJJKRBX-RBSFLKMASA-N 1 0 385.339 2.784 20 0 GFADRO COC(=O)c1ccc(Br)cc1CN1C[C@H](O)C[C@@H]1[C@H]1CCCOC1 ZINC000451302177 564297459 /nfs/dbraw/zinc/29/74/59/564297459.db2.gz JWIKYOOTAZRCSC-XGWLTEMNSA-N 1 0 398.297 2.598 20 0 GFADRO CC(C)N(CC(F)(F)F)C(=O)C[NH2+][C@@H](CO)c1ccc(Br)cc1 ZINC000541980178 564297500 /nfs/dbraw/zinc/29/75/00/564297500.db2.gz CLYJMWMNAQOPBE-ZDUSSCGKSA-N 1 0 397.235 2.871 20 0 GFADRO O[C@H](COc1ccc(Cl)cc1Cl)C[N@@H+]1C[C@H](O)C[C@H]1[C@H]1CCCOC1 ZINC000451302591 564297516 /nfs/dbraw/zinc/29/75/16/564297516.db2.gz PABKJNNMJGQRBG-GUSZCTEKSA-N 1 0 390.307 2.595 20 0 GFADRO O=S(=O)(CC[NH2+][C@@H](CO)C1CCCCC1)c1ccc(Br)cc1 ZINC000541983619 564297653 /nfs/dbraw/zinc/29/76/53/564297653.db2.gz KZXINYBECYTRNO-INIZCTEOSA-N 1 0 390.343 2.754 20 0 GFADRO O=S(=O)(NC1CC[NH+](CCOc2ccc(Cl)cc2)CC1)c1ccoc1 ZINC000509440458 564299228 /nfs/dbraw/zinc/29/92/28/564299228.db2.gz ZYIMYHISMITUKL-UHFFFAOYSA-N 1 0 384.885 2.755 20 0 GFADRO COc1sc(C[NH2+]CCc2nnnn2-c2ccccc2)cc1Br ZINC000509441157 564299341 /nfs/dbraw/zinc/29/93/41/564299341.db2.gz VVNSGBOLAYNMDO-UHFFFAOYSA-N 1 0 394.298 2.827 20 0 GFADRO FC(F)Oc1ccc(C[NH2+][C@H]2CCc3nnnn3CC2)cc1Br ZINC000565885578 564300380 /nfs/dbraw/zinc/30/03/80/564300380.db2.gz TUOMJBBQZXDBJH-JTQLQIEISA-N 1 0 388.216 2.532 20 0 GFADRO CNS(=O)(=O)CC[NH2+]Cc1ccc(-c2ccccc2Br)cc1 ZINC000509475895 564301610 /nfs/dbraw/zinc/30/16/10/564301610.db2.gz BMVALELHGDGAOX-UHFFFAOYSA-N 1 0 383.311 2.755 20 0 GFADRO C[C@H](CCc1ccc(I)cc1)[NH2+]C[C@@]1(O)CCO[C@H]1C ZINC000475189882 564302381 /nfs/dbraw/zinc/30/23/81/564302381.db2.gz IRAMAPWDSLRMSL-WWGRRREGSA-N 1 0 389.277 2.742 20 0 GFADRO COC[C@@]1(C(=O)OC)CC[N@H+](CCCC(=O)c2ccc(Br)cc2)C1 ZINC000451341900 564302856 /nfs/dbraw/zinc/30/28/56/564302856.db2.gz MWAUJBGKPVDFOI-GOSISDBHSA-N 1 0 398.297 2.924 20 0 GFADRO C[C@H](CCc1ccc(I)cc1)[NH2+]C[C@H]1CCCC(=O)N1 ZINC000475209042 564303065 /nfs/dbraw/zinc/30/30/65/564303065.db2.gz CNYCJJPUYSPWOP-IUODEOHRSA-N 1 0 386.277 2.871 20 0 GFADRO C[C@H](CCc1n[nH]c2ccccc21)[NH2+]CCNS(=O)(=O)c1cccs1 ZINC000542168557 564303129 /nfs/dbraw/zinc/30/31/29/564303129.db2.gz CKZKHFOMXDFKCG-CYBMUJFWSA-N 1 0 378.523 2.514 20 0 GFADRO C[C@H]([N@H+](C)C[C@@H](O)COc1ccc(Cl)cc1Br)C(C)(C)O ZINC000451356244 564304662 /nfs/dbraw/zinc/30/46/62/564304662.db2.gz AMODCKBTTBKKPK-CMPLNLGQSA-N 1 0 380.710 2.933 20 0 GFADRO Cc1cc(Br)cc(C)c1N1CCC[C@@H]([N@@H+]2CC[C@H](CO)C2)C1=O ZINC000509640380 564307203 /nfs/dbraw/zinc/30/72/03/564307203.db2.gz FVLFFWZDEBSWSM-GOEBONIOSA-N 1 0 381.314 2.876 20 0 GFADRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)C(=O)Nc1ccc(F)cc1Br ZINC000509770493 564312503 /nfs/dbraw/zinc/31/25/03/564312503.db2.gz KINPDNZYQWJSPO-XHDPSFHLSA-N 1 0 398.276 2.612 20 0 GFADRO COC(=O)c1ccc(S(=O)(=O)NC[C@@H](C)C[NH+]2CCCCC2)c(Cl)c1 ZINC000509785559 564312563 /nfs/dbraw/zinc/31/25/63/564312563.db2.gz AHJVTWDINMNAFB-CYBMUJFWSA-N 1 0 388.917 2.527 20 0 GFADRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)C(=O)Nc1ccc(Br)cc1F ZINC000509787494 564313471 /nfs/dbraw/zinc/31/34/71/564313471.db2.gz DFQPFAHLCZEDDI-NHYWBVRUSA-N 1 0 398.276 2.612 20 0 GFADRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)C(=O)Nc1cc(F)ccc1Br ZINC000509786849 564313795 /nfs/dbraw/zinc/31/37/95/564313795.db2.gz FOLDQJJJXANSBJ-XHDPSFHLSA-N 1 0 398.276 2.612 20 0 GFADRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)C(=O)Nc1cc(F)ccc1Br ZINC000509786847 564313923 /nfs/dbraw/zinc/31/39/23/564313923.db2.gz FOLDQJJJXANSBJ-IAQYHMDHSA-N 1 0 398.276 2.612 20 0 GFADRO C[C@H]([NH3+])C1CCN(C(=O)c2ncc(Br)cc2Br)CC1 ZINC000566199108 564316147 /nfs/dbraw/zinc/31/61/47/564316147.db2.gz LBTVTTWZORRCOM-QMMMGPOBSA-N 1 0 391.107 2.806 20 0 GFADRO COC[C@]1(CNC(=O)c2cc(C)nc3ccc(Br)cc32)CCC[NH2+]1 ZINC000566204803 564316487 /nfs/dbraw/zinc/31/64/87/564316487.db2.gz GUPSZTQBQURAQS-GOSISDBHSA-N 1 0 392.297 2.804 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CCN(S(=O)(=O)Cc2cc(Cl)ccc2Br)C1 ZINC000566224301 564317066 /nfs/dbraw/zinc/31/70/66/564317066.db2.gz XAQSWNXIFPFVMV-NXEZZACHSA-N 1 0 381.723 2.601 20 0 GFADRO C[NH+](C)C[C@@H]1CCN(Cc2ncc(Br)cc2Br)C1 ZINC000542518336 564317416 /nfs/dbraw/zinc/31/74/16/564317416.db2.gz ZIHLHPVIXULALR-JTQLQIEISA-N 1 0 377.124 2.990 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)c(C)c1C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000566248542 564318938 /nfs/dbraw/zinc/31/89/38/564318938.db2.gz FQZMEOCNDFBHMP-OAHLLOKOSA-N 1 0 377.286 2.719 20 0 GFADRO CO[C@@H]1[C@@H](C)[C@H]([NH2+]Cc2nnnn2-c2ccccc2Br)C1(C)C ZINC000451508801 564320800 /nfs/dbraw/zinc/32/08/00/564320800.db2.gz YIHMVXGJVOTUIK-NZVBXONLSA-N 1 0 380.290 2.574 20 0 GFADRO CC[NH+](CC)CCN(C(=O)c1nn(C)cc1C)c1ccc(Br)cn1 ZINC000566304447 564321997 /nfs/dbraw/zinc/32/19/97/564321997.db2.gz OKFPEHWXNDMBPK-UHFFFAOYSA-N 1 0 394.317 2.875 20 0 GFADRO O=S(=O)(NCCc1ccc(OCC[NH+]2CCCC2)cc1)c1ccsc1 ZINC000510065388 564324589 /nfs/dbraw/zinc/32/45/89/564324589.db2.gz PIIQAUYUHWKFNU-UHFFFAOYSA-N 1 0 380.535 2.744 20 0 GFADRO C[C@@H]1CN(C[C@H](O)C[N@@H+]2CC[C@H](c3cccc(Br)c3)C2)C[C@H](C)O1 ZINC000451561984 564325695 /nfs/dbraw/zinc/32/56/95/564325695.db2.gz CDXAZPBHIBQVEM-JHDROBOHSA-N 1 0 397.357 2.709 20 0 GFADRO Cc1cc(Br)cn2cc(CNC(=O)N[C@H](C)CC[NH+](C)C)nc12 ZINC000542767347 564325987 /nfs/dbraw/zinc/32/59/87/564325987.db2.gz ARPOYYQEYCXVBE-GFCCVEGCSA-N 1 0 382.306 2.545 20 0 GFADRO C[C@@H](c1ccccc1Br)[NH+]1CCC(CNS(C)(=O)=O)CC1 ZINC000510197152 564327206 /nfs/dbraw/zinc/32/72/06/564327206.db2.gz FKDKGQKLJHLYMO-LBPRGKRZSA-N 1 0 375.332 2.771 20 0 GFADRO Cn1cc(N2CC[C@H](N3CC[C@H](c4cccc(Br)c4)C3)C2=O)cn1 ZINC000451575391 564327353 /nfs/dbraw/zinc/32/73/53/564327353.db2.gz XRXBZBXCFFZTJP-YOEHRIQHSA-N 1 0 389.297 2.777 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)C[NH2+]C1(CO)Cc2ccccc2C1 ZINC000510265270 564329151 /nfs/dbraw/zinc/32/91/51/564329151.db2.gz UEINGRWGAGVHKF-UHFFFAOYSA-N 1 0 389.293 2.816 20 0 GFADRO COC(=O)[C@@H]1C[N@H+](Cc2ncccc2O)C[C@H]1c1ccc(Br)cc1 ZINC000566557766 564331740 /nfs/dbraw/zinc/33/17/40/564331740.db2.gz NOYXCCMETZUGIR-LSDHHAIUSA-N 1 0 391.265 2.938 20 0 GFADRO O=C(N[C@@H]1CCSc2ccc(Cl)cc21)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000566617793 564334269 /nfs/dbraw/zinc/33/42/69/564334269.db2.gz UKDCONQSMTUTLX-GXTWGEPZSA-N 1 0 377.901 2.650 20 0 GFADRO Cc1nc2ccc(Br)cn2c1C(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000476304222 564334348 /nfs/dbraw/zinc/33/43/48/564334348.db2.gz XZSZETZUOUMYHC-GXFFZTMASA-N 1 0 377.286 2.760 20 0 GFADRO O=C1NC(=O)C2(CCC([NH2+]Cc3cccc(Br)c3Cl)CC2)N1 ZINC000566607982 564334379 /nfs/dbraw/zinc/33/43/79/564334379.db2.gz OSORCGRLRSCZKL-UHFFFAOYSA-N 1 0 386.677 2.713 20 0 GFADRO OC[C@@]1([C@H]([NH2+]Cc2cc3c(c(Br)c2)OCO3)C2CC2)CCCO1 ZINC000566609561 564334547 /nfs/dbraw/zinc/33/45/47/564334547.db2.gz YLSBWXOJXDGTMR-IAGOWNOFSA-N 1 0 384.270 2.588 20 0 GFADRO C[NH+](C)CCOCCNC(=O)c1ccc(Sc2ccccc2Cl)nn1 ZINC000476350309 564337084 /nfs/dbraw/zinc/33/70/84/564337084.db2.gz MPNHFXXOKQPVKC-UHFFFAOYSA-N 1 0 380.901 2.589 20 0 GFADRO CCS(=O)(=O)NCCC[N@H+](Cc1cccc(Br)c1)C(C)C ZINC000510534877 564337335 /nfs/dbraw/zinc/33/73/35/564337335.db2.gz VGEJOMWFOBEVCF-UHFFFAOYSA-N 1 0 377.348 2.989 20 0 GFADRO O=C(NCC[NH2+][C@H]1CCCc2c(Br)cccc21)c1cnccn1 ZINC000543081420 564337475 /nfs/dbraw/zinc/33/74/75/564337475.db2.gz WNMXCRIWOAIIPL-HNNXBMFYSA-N 1 0 375.270 2.636 20 0 GFADRO CCCN(CC[NH+]1CCCCC1)S(=O)(=O)c1cnccc1C(F)(F)F ZINC000510526253 564337643 /nfs/dbraw/zinc/33/76/43/564337643.db2.gz ZKTOBEMOXOVAEJ-UHFFFAOYSA-N 1 0 379.448 2.987 20 0 GFADRO COc1cc(C(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)cc(Br)c1OC ZINC000566677586 564338360 /nfs/dbraw/zinc/33/83/60/564338360.db2.gz IOIWPNOQZAWJAW-HAQNSBGRSA-N 1 0 385.302 2.961 20 0 GFADRO C[C@H]1C[C@H](NC(=O)C2(c3cccc(Br)c3)CC(=O)C2)CC[N@@H+]1C ZINC000566744631 564340916 /nfs/dbraw/zinc/34/09/16/564340916.db2.gz FKCIXLJULRIWAC-SWLSCSKDSA-N 1 0 379.298 2.649 20 0 GFADRO CN(Cc1ccccc1Br)C(=O)C[N@@H+]1CC[C@@H]2C[C@H](O)CC[C@H]2C1 ZINC000451701957 564341427 /nfs/dbraw/zinc/34/14/27/564341427.db2.gz HXHOXUIISSUCOZ-HLLBOEOZSA-N 1 0 395.341 2.890 20 0 GFADRO O=S(=O)(N[C@@H]1CC[N@@H+](C2CCCC2)C1)c1cccc(Br)c1F ZINC000543245247 564344107 /nfs/dbraw/zinc/34/41/07/564344107.db2.gz AJLAIJVVJHTBNM-LLVKDONJSA-N 1 0 391.306 2.883 20 0 GFADRO CS(=O)(=O)N[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(OCC(F)(F)F)cc1 ZINC000510760484 564345564 /nfs/dbraw/zinc/34/55/64/564345564.db2.gz CFPCRDANMSCGHU-LSDHHAIUSA-N 1 0 380.432 2.578 20 0 GFADRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)[C@@H](c1ccc(Br)cc1)N1CCCC1 ZINC000566854767 564346574 /nfs/dbraw/zinc/34/65/74/564346574.db2.gz LTKKWQPMUIEHCZ-XOKHGSTOSA-N 1 0 380.330 2.700 20 0 GFADRO CC1CC[NH+](CCNC(=O)c2cc(F)ccc2I)CC1 ZINC000510806181 564347683 /nfs/dbraw/zinc/34/76/83/564347683.db2.gz GVSZGWATNVAXJG-UHFFFAOYSA-N 1 0 390.240 2.892 20 0 GFADRO C[N@@H+]1CCC[C@@H]2CN(S(=O)(=O)c3cccc(Br)c3F)CC[C@@H]21 ZINC000543396905 564348922 /nfs/dbraw/zinc/34/89/22/564348922.db2.gz OVWBSKGUMKMNEU-YPMHNXCESA-N 1 0 391.306 2.693 20 0 GFADRO CN(CC[N@H+](C)C1CC1)S(=O)(=O)c1ccc(Cl)cc1Br ZINC000543394526 564348998 /nfs/dbraw/zinc/34/89/98/564348998.db2.gz UPSOSIIINNKHKV-UHFFFAOYSA-N 1 0 381.723 2.817 20 0 GFADRO O=C(COc1c(Cl)cccc1Cl)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000566967672 564351502 /nfs/dbraw/zinc/35/15/02/564351502.db2.gz AJTFPOYQMQZCNP-UHFFFAOYSA-N 1 0 386.323 2.705 20 0 GFADRO C[C@H]([NH2+]C[C@@H](O)COc1ccc(Br)cc1)C(=O)N1CCCC[C@H]1C ZINC000566968693 564351617 /nfs/dbraw/zinc/35/16/17/564351617.db2.gz DUUDDQRCTQSAQD-IJEWVQPXSA-N 1 0 399.329 2.568 20 0 GFADRO O=S(=O)(NCC[NH2+][C@H]1CCCC12CCOCC2)c1ccc(F)cc1Cl ZINC000511028868 564353756 /nfs/dbraw/zinc/35/37/56/564353756.db2.gz HFDZZCZOPDKAHS-INIZCTEOSA-N 1 0 390.908 2.696 20 0 GFADRO CCO[C@H]1C[C@H]([NH2+]CCNS(=O)(=O)c2ccc(F)cc2Cl)C1(C)C ZINC000511021159 564353858 /nfs/dbraw/zinc/35/38/58/564353858.db2.gz YLHGQLIATKTJCI-GJZGRUSLSA-N 1 0 378.897 2.551 20 0 GFADRO CN(CCC[NH+](C)C)C(=O)NCCNc1ncc(C(F)(F)F)cc1Cl ZINC000543640892 564357007 /nfs/dbraw/zinc/35/70/07/564357007.db2.gz JCOLQEVRJPVWPX-UHFFFAOYSA-N 1 0 381.830 2.759 20 0 GFADRO C[C@@H](c1cccc(Br)c1)N1CCC[C@H](S(=O)(=O)N(C)C)C1 ZINC000511112394 564357618 /nfs/dbraw/zinc/35/76/18/564357618.db2.gz ZIAPABMKPGFLJN-WFASDCNBSA-N 1 0 375.332 2.866 20 0 GFADRO OC[C@H]1CCN(Cc2ccccc2)C[C@@H]1[NH2+]Cc1ccc(Br)cn1 ZINC000567148062 564359079 /nfs/dbraw/zinc/35/90/79/564359079.db2.gz BFLBWBPUQSNMKI-APWZRJJASA-N 1 0 390.325 2.817 20 0 GFADRO [NH3+]CCc1nc(C(=O)N2CCC[C@@H](c3nc4c(s3)CCCC4)C2)cs1 ZINC000567167895 564360204 /nfs/dbraw/zinc/36/02/04/564360204.db2.gz XXIJCYIPMVEUIT-GFCCVEGCSA-N 1 0 376.551 2.999 20 0 GFADRO O=C([C@@H]1C[C@@]12CCc1cc(Br)ccc12)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000567164688 564360285 /nfs/dbraw/zinc/36/02/85/564360285.db2.gz UOUIZPKUNQOACL-QXAKKESOSA-N 1 0 375.310 2.865 20 0 GFADRO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC(=O)Nc3ccc(Br)cc32)C1 ZINC000567322278 564366181 /nfs/dbraw/zinc/36/61/81/564366181.db2.gz VKSHDTPKYUKYPI-DJSGYFEHSA-N 1 0 394.313 2.720 20 0 GFADRO O=C1CC[C@@H]([NH+]2CCN(CCOc3ccc(Cl)cc3Cl)CC2)CCN1 ZINC000451919635 564367365 /nfs/dbraw/zinc/36/73/65/564367365.db2.gz SQCBHNVMJDERSV-OAHLLOKOSA-N 1 0 386.323 2.659 20 0 GFADRO CCN1CCN(S(=O)(=O)c2ccc(Br)cc2Cl)[C@@H](C)C1 ZINC000511317507 564367411 /nfs/dbraw/zinc/36/74/11/564367411.db2.gz WLDCGVFEQOPLMA-JTQLQIEISA-N 1 0 381.723 2.817 20 0 GFADRO CC(C)(CO)[C@@H]([NH2+]Cc1cc(Cl)cc(S(N)(=O)=O)c1)c1ccccc1 ZINC000567356838 564368225 /nfs/dbraw/zinc/36/82/25/564368225.db2.gz YOVOTNSEGUXSLD-KRWDZBQOSA-N 1 0 382.913 2.837 20 0 GFADRO COC[C@]1(CO)CCN(Cc2ccc(I)c(Cl)c2)C1 ZINC000451937459 564370391 /nfs/dbraw/zinc/37/03/91/564370391.db2.gz UNJHCNALRAHTMH-CQSZACIVSA-N 1 0 395.668 2.775 20 0 GFADRO C[C@@H](C[NH+]1CCOCC1)C(=O)N1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000544022892 564371546 /nfs/dbraw/zinc/37/15/46/564371546.db2.gz GIWOXCYXUFWQCJ-ZFWWWQNUSA-N 1 0 387.307 2.941 20 0 GFADRO Cc1cccc(OC[C@H](O)C[NH2+][C@@](C)(CO)c2ccc(Br)cc2)c1 ZINC000511566777 564375625 /nfs/dbraw/zinc/37/56/25/564375625.db2.gz NXRKUJDOGBCJML-MJGOQNOKSA-N 1 0 394.309 2.995 20 0 GFADRO CCCC[N@H+](C)C[C@@H](C)NC(=O)NCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000567523271 564375944 /nfs/dbraw/zinc/37/59/44/564375944.db2.gz SYLHAAQGMIQDBX-CQSZACIVSA-N 1 0 389.949 2.533 20 0 GFADRO CC(C)[NH+]1CCC(NC(=O)CN2CCc3cc(Br)ccc32)CC1 ZINC000511596323 564376340 /nfs/dbraw/zinc/37/63/40/564376340.db2.gz USYUOCWWWRYLOE-UHFFFAOYSA-N 1 0 380.330 2.801 20 0 GFADRO O=C1c2ccccc2C(=O)N1CC[NH2+]CCOc1ccc(Br)cc1 ZINC000567569060 564377335 /nfs/dbraw/zinc/37/73/35/564377335.db2.gz BKDRILAOZCSZIQ-UHFFFAOYSA-N 1 0 389.249 2.714 20 0 GFADRO O=C(CCc1nc2cc(Cl)ccc2s1)N[C@@H](CO)C[NH+]1CCCCC1 ZINC000567587250 564378335 /nfs/dbraw/zinc/37/83/35/564378335.db2.gz POTNABBLLMWPRK-CQSZACIVSA-N 1 0 381.929 2.845 20 0 GFADRO O=C(c1ccc(I)c(F)c1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000567672335 564382313 /nfs/dbraw/zinc/38/23/13/564382313.db2.gz TXZPEKONRFGXJJ-HNNXBMFYSA-N 1 0 388.224 2.646 20 0 GFADRO C[C@@H]1C[C@@H]([NH2+]C[C@H](O)COc2cc(F)cc(Br)c2)CN1C1CC1 ZINC000567685026 564383057 /nfs/dbraw/zinc/38/30/57/564383057.db2.gz UDKLJOYXXKFPNY-XFJVYGCCSA-N 1 0 387.293 2.543 20 0 GFADRO CC[C@H]([NH2+]C[C@H](O)COc1cc(F)cc(Br)c1)[C@H](O)C(C)C ZINC000567734679 564386200 /nfs/dbraw/zinc/38/62/00/564386200.db2.gz UEQDGTQHLLLSMD-CWRNSKLLSA-N 1 0 378.282 2.713 20 0 GFADRO COC[C@H]1CCCCN1CC(=O)Nc1ccc(I)cc1 ZINC000452046661 564386947 /nfs/dbraw/zinc/38/69/47/564386947.db2.gz YOUGOCRZMYNQQD-CQSZACIVSA-N 1 0 388.249 2.731 20 0 GFADRO C[C@H]1[NH2+]CC[C@H]1C(=O)N1CCC(C(=O)Nc2cccc(Br)c2)CC1 ZINC000567765118 564387259 /nfs/dbraw/zinc/38/72/59/564387259.db2.gz IJGROXRFCMWKME-MLGOLLRUSA-N 1 0 394.313 2.624 20 0 GFADRO C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCC(C(=O)Nc2cccc(Br)c2)CC1 ZINC000567765117 564387265 /nfs/dbraw/zinc/38/72/65/564387265.db2.gz IJGROXRFCMWKME-LRDDRELGSA-N 1 0 394.313 2.624 20 0 GFADRO Cc1cc([C@H](C)[NH2+]C[C@H]2CCCN2S(C)(=O)=O)sc1Br ZINC000512044569 564390296 /nfs/dbraw/zinc/39/02/96/564390296.db2.gz GHENJXOUYFOUEH-WDEREUQCSA-N 1 0 381.361 2.894 20 0 GFADRO C[C@@H](Cn1cc(Br)cn1)[NH2+]C[C@H](CO)Cc1ccc(F)c(F)c1 ZINC000477930987 564390743 /nfs/dbraw/zinc/39/07/43/564390743.db2.gz BWOWASVBQNFPOF-WCQYABFASA-N 1 0 388.256 2.753 20 0 GFADRO Cc1cc(C(=O)N[C@H](CC[NH3+])C(F)F)nn1-c1ccc(Br)cc1 ZINC000567846910 564391525 /nfs/dbraw/zinc/39/15/25/564391525.db2.gz WGQSNTWEHWPCIY-GFCCVEGCSA-N 1 0 387.228 2.656 20 0 GFADRO Cc1cc(S(=O)(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)c(C)cc1Br ZINC000567862242 564392600 /nfs/dbraw/zinc/39/26/00/564392600.db2.gz YGTRSBZFQRBQOK-OKILXGFUSA-N 1 0 387.343 2.686 20 0 GFADRO O=C(Nc1ccc(COc2ccc(Br)cc2)cc1)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000478015649 564393413 /nfs/dbraw/zinc/39/34/13/564393413.db2.gz KHDZNLGGZAQCFY-NVXWUHKLSA-N 1 0 391.265 2.689 20 0 GFADRO CC[NH+](CC)CCOCCNS(=O)(=O)Cc1c(Cl)cccc1Cl ZINC000544672467 564393641 /nfs/dbraw/zinc/39/36/41/564393641.db2.gz IGWIGSFKWJAUBT-UHFFFAOYSA-N 1 0 383.341 2.771 20 0 GFADRO CS[C@@H]1CN(C(=O)[C@H]2COc3ccc(Cl)cc3C2)C[C@H]1[NH+]1CCCC1 ZINC000544687462 564394416 /nfs/dbraw/zinc/39/44/16/564394416.db2.gz XNAKUKRDGMGJLE-QGPMSJSTSA-N 1 0 380.941 2.929 20 0 GFADRO OCCC[C@H]1CC[N@H+](C[C@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000452131766 564394947 /nfs/dbraw/zinc/39/49/47/564394947.db2.gz PNLXDKMUWYOEMJ-JSGCOSHPSA-N 1 0 392.721 2.937 20 0 GFADRO C[C@H](Sc1ccccc1C(=O)NC[C@H](c1ccsc1)[NH+](C)C)C(N)=O ZINC000512346801 564398525 /nfs/dbraw/zinc/39/85/25/564398525.db2.gz IIMYKHZKXREJGJ-SWLSCSKDSA-N 1 0 377.535 2.747 20 0 GFADRO CC(C)Oc1cc(Br)ccc1C(=O)N[C@H](CO)C[NH+]1CCCCC1 ZINC000512355471 564398625 /nfs/dbraw/zinc/39/86/25/564398625.db2.gz XNHQMHFKKLZFDI-HNNXBMFYSA-N 1 0 399.329 2.813 20 0 GFADRO Cc1cc(CC(=O)N(CC[NH+](C)C)Cc2ccc(Br)cc2)on1 ZINC000568014674 564400503 /nfs/dbraw/zinc/40/05/03/564400503.db2.gz JJYQBKYTTVTMGO-UHFFFAOYSA-N 1 0 380.286 2.878 20 0 GFADRO CCn1cc(Br)cc1C(=O)N1CCN(c2cc[nH+]cc2OC)CC1 ZINC000478449867 564402960 /nfs/dbraw/zinc/40/29/60/564402960.db2.gz ACDZIISJIIVQPV-UHFFFAOYSA-N 1 0 393.285 2.637 20 0 GFADRO COc1ccc(C[N@@H+]2CCCC[C@@H]2[C@H]2CNC(=O)C2)c(Br)c1O ZINC000544928317 564404271 /nfs/dbraw/zinc/40/42/71/564404271.db2.gz XKKXUMPHSPWSGC-CHWSQXEVSA-N 1 0 383.286 2.654 20 0 GFADRO C[C@@H]1CN(C(=O)c2cc(I)c(F)cc2F)C[C@H](C)N1C ZINC000513045422 564418894 /nfs/dbraw/zinc/41/88/94/564418894.db2.gz DBYVQWSHDNYRKA-DTORHVGOSA-N 1 0 394.203 2.734 20 0 GFADRO CC(C)[N@H+](C)CCNC(=O)Nc1cccc(Cl)c1S(=O)(=O)C(C)C ZINC000568103702 564405281 /nfs/dbraw/zinc/40/52/81/564405281.db2.gz HWCVTURKLDWDAD-UHFFFAOYSA-N 1 0 375.922 2.984 20 0 GFADRO CC(C)(C)OC(=O)[C@@](C)(O)C[NH2+][C@H]1CCc2cccc(Br)c2C1 ZINC000512552465 564405525 /nfs/dbraw/zinc/40/55/25/564405525.db2.gz ORAYGCSPCCFNKX-UGSOOPFHSA-N 1 0 384.314 2.989 20 0 GFADRO C[N@H+](CC(=O)NCCc1cccc(OCC(F)(F)F)c1)[C@@H]1CCSC1 ZINC000478529177 564405918 /nfs/dbraw/zinc/40/59/18/564405918.db2.gz LAUXFNKFTRQIPY-CQSZACIVSA-N 1 0 376.444 2.724 20 0 GFADRO CC[C@@H](Cc1cccc(Br)c1)C(=O)NC[C@H]1CCC[N@@H+]1CCCO ZINC000452358044 564408104 /nfs/dbraw/zinc/40/81/04/564408104.db2.gz FSCZWDJASKMTQU-FUHWJXTLSA-N 1 0 397.357 2.981 20 0 GFADRO CC[NH+](CC)CC[C@H](CO)NC(=O)[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000568216473 564409006 /nfs/dbraw/zinc/40/90/06/564409006.db2.gz RTXUTVCNMYUPDA-IXDOHACOSA-N 1 0 383.330 2.762 20 0 GFADRO C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000452376739 564410253 /nfs/dbraw/zinc/41/02/53/564410253.db2.gz PGOYRQURLYVCPU-OLZOCXBDSA-N 1 0 375.296 2.724 20 0 GFADRO CC[C@@H](Cc1ccccc1Br)C(=O)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000452380741 564411204 /nfs/dbraw/zinc/41/12/04/564411204.db2.gz HJALBKCEZXPZFK-DOTOQJQBSA-N 1 0 397.357 2.981 20 0 GFADRO CC[C@H](Cc1ccccc1Br)C(=O)NC[C@H]1CCCC[N@@H+]1CCO ZINC000452395398 564412592 /nfs/dbraw/zinc/41/25/92/564412592.db2.gz WOJPUOSVQMVYBM-NVXWUHKLSA-N 1 0 397.357 2.981 20 0 GFADRO CN(Cc1ccccc1Br)C(=O)C[N@@H+]1CC[C@H](COC(F)F)C1 ZINC000512844681 564414042 /nfs/dbraw/zinc/41/40/42/564414042.db2.gz OOZVZOXLQDBXLH-LBPRGKRZSA-N 1 0 391.256 2.969 20 0 GFADRO Cc1nc(C)c(S(=O)(=O)NC[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)s1 ZINC000478761275 564414430 /nfs/dbraw/zinc/41/44/30/564414430.db2.gz BNLPMKPCNQHUDV-KRWDZBQOSA-N 1 0 379.551 2.949 20 0 GFADRO CS(=O)(=O)N[C@@H]1CCCC[C@@H]1C[NH2+]Cc1ccccc1OC(F)(F)F ZINC000512859713 564414711 /nfs/dbraw/zinc/41/47/11/564414711.db2.gz DKVPHRRWFVJITQ-TZMCWYRMSA-N 1 0 380.432 2.783 20 0 GFADRO CS(=O)(=O)N[C@@H]1CCCC[C@@H]1C[NH2+]Cc1ccc(Br)cc1 ZINC000512869071 564414915 /nfs/dbraw/zinc/41/49/15/564414915.db2.gz MWAIBALGHBJRJV-UKRRQHHQSA-N 1 0 375.332 2.647 20 0 GFADRO CO[C@@H]1CCN(C(=O)c2ccn(-c3ccc(Cl)c(Cl)c3)n2)[C@H](C[NH3+])C1 ZINC000568381278 564416294 /nfs/dbraw/zinc/41/62/94/564416294.db2.gz AAHWRKNCVRVGKU-QWHCGFSZSA-N 1 0 383.279 2.757 20 0 GFADRO CC[NH+](CC)C[C@@H](C)NC(=O)N(CCO)Cc1ccc(Br)s1 ZINC000478814976 564416486 /nfs/dbraw/zinc/41/64/86/564416486.db2.gz TYIBRIOSEVZVKX-GFCCVEGCSA-N 1 0 392.363 2.745 20 0 GFADRO Cc1cc(Br)ccc1C[NH2+]C[C@H]1CCCCN1S(C)(=O)=O ZINC000512992818 564416979 /nfs/dbraw/zinc/41/69/79/564416979.db2.gz NYBFPFTUOFTWCG-OAHLLOKOSA-N 1 0 375.332 2.661 20 0 GFADRO CN(C)Cc1cnc(C[NH2+]C2CCN(C(=O)c3cc(Cl)c[nH]3)CC2)s1 ZINC000513032813 564419118 /nfs/dbraw/zinc/41/91/18/564419118.db2.gz PIBUBCKKWYCAOU-UHFFFAOYSA-N 1 0 381.933 2.581 20 0 GFADRO CNC(=O)COc1cccc(C[NH2+]Cc2ccc(Br)cc2OC)c1 ZINC000513045038 564419174 /nfs/dbraw/zinc/41/91/74/564419174.db2.gz BIYPLKYLCYRARK-UHFFFAOYSA-N 1 0 393.281 2.872 20 0 GFADRO CC(C)(C)C(=O)N1CCC([NH2+][C@@H](C(N)=O)c2cccc(Br)c2)CC1 ZINC000478976987 564420715 /nfs/dbraw/zinc/42/07/15/564420715.db2.gz PUGQIOUDEHFZMD-OAHLLOKOSA-N 1 0 396.329 2.602 20 0 GFADRO CCCN1C[C@H](C[NH2+]C[C@@H](O)COc2ccc(Cl)cc2Cl)CC1=O ZINC000568502037 564420925 /nfs/dbraw/zinc/42/09/25/564420925.db2.gz BINSCRGROJSEFK-GXTWGEPZSA-N 1 0 375.296 2.581 20 0 GFADRO O=C1CN(CCC[NH2+]Cc2ccc(-c3cccc(Br)c3)o2)CCN1 ZINC000568531622 564422784 /nfs/dbraw/zinc/42/27/84/564422784.db2.gz IJDNIZGJESIDMT-UHFFFAOYSA-N 1 0 392.297 2.621 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000479035717 564422937 /nfs/dbraw/zinc/42/29/37/564422937.db2.gz SPWGSWWPPHDGRE-RISCZKNCSA-N 1 0 382.302 2.549 20 0 GFADRO C[C@H]([NH2+]CCOCC(F)(F)F)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000479074301 564424461 /nfs/dbraw/zinc/42/44/61/564424461.db2.gz ZUSQZXPOQGOCDH-ZETCQYMHSA-N 1 0 395.230 2.870 20 0 GFADRO Cc1cc(Br)cc(Cl)c1C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000479107693 564425944 /nfs/dbraw/zinc/42/59/44/564425944.db2.gz RCAQVNFZRKTLLR-CYBMUJFWSA-N 1 0 389.721 2.988 20 0 GFADRO C[C@H](C[C@H](C)[NH3+])NC(=O)CCc1nc(-c2cc(Br)cs2)no1 ZINC000568630518 564427643 /nfs/dbraw/zinc/42/76/43/564427643.db2.gz QQGZKFSCERPDED-DTWKUNHWSA-N 1 0 387.303 2.735 20 0 GFADRO CCOc1ccc(S(=O)(=O)N2CCC(CC[NH3+])CC2)cc1Br ZINC000568639931 564427685 /nfs/dbraw/zinc/42/76/85/564427685.db2.gz VYUPEVLMIPCDHV-UHFFFAOYSA-N 1 0 391.331 2.597 20 0 GFADRO CN(C(=O)c1cc(Br)cnc1OCC1CC1)[C@H]1CCC[N@H+](C)C1 ZINC000513478047 564430041 /nfs/dbraw/zinc/43/00/41/564430041.db2.gz BEZFSGOLCDKSOC-AWEZNQCLSA-N 1 0 382.302 2.799 20 0 GFADRO CC(=O)Nc1ccc(S(=O)(=O)NCC(C)(C)[NH+]2CCCCC2)cc1Cl ZINC000479180313 564430286 /nfs/dbraw/zinc/43/02/86/564430286.db2.gz JOKBHVUBJZFUMA-UHFFFAOYSA-N 1 0 387.933 2.841 20 0 GFADRO Cn1cc(Br)c(CNC(=O)c2ccc(C[NH+]3CCCC3)cc2)n1 ZINC000452765351 564430710 /nfs/dbraw/zinc/43/07/10/564430710.db2.gz KBYFHQCFGORQGG-UHFFFAOYSA-N 1 0 377.286 2.708 20 0 GFADRO O=C(CCOc1ccc(Cl)c(Cl)c1)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000452803793 564432166 /nfs/dbraw/zinc/43/21/66/564432166.db2.gz YFBRUVXWHBRYSJ-ZDUSSCGKSA-N 1 0 375.296 2.725 20 0 GFADRO CC1=CC[N@H+](CCNC(=O)Cc2ccccc2I)CC1 ZINC000545870822 564434729 /nfs/dbraw/zinc/43/47/29/564434729.db2.gz YBLRORSKJKVMQB-UHFFFAOYSA-N 1 0 384.261 2.602 20 0 GFADRO Cc1[nH]c(=O)c(Br)cc1C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000513624884 564434827 /nfs/dbraw/zinc/43/48/27/564434827.db2.gz OJIDPGCJAKNBIM-CYBMUJFWSA-N 1 0 382.302 2.852 20 0 GFADRO C[C@H]1C[C@H](NC(=O)c2c(O)cnc3c(Br)cccc32)CC[N@@H+]1C ZINC000568808853 564435234 /nfs/dbraw/zinc/43/52/34/564435234.db2.gz NPRDJWKDJYEHJA-WDEREUQCSA-N 1 0 378.270 2.915 20 0 GFADRO C[C@H](CNC(=O)NCCCn1cc(Br)cn1)[N@@H+]1CCCC[C@@H]1C ZINC000479346539 564436605 /nfs/dbraw/zinc/43/66/05/564436605.db2.gz LBROLUXTZCJWEP-UONOGXRCSA-N 1 0 386.338 2.598 20 0 GFADRO Cc1cc(CNC(=O)N[C@@H](C)C[C@@H](C)[NH3+])ccc1I ZINC000568864139 564437920 /nfs/dbraw/zinc/43/79/20/564437920.db2.gz YZOVFHWFRNPZFR-MNOVXSKESA-N 1 0 375.254 2.525 20 0 GFADRO Cc1nc(CNC(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)sc1Br ZINC000568847766 564437939 /nfs/dbraw/zinc/43/79/39/564437939.db2.gz FFORYTIDDDIYMA-GFCCVEGCSA-N 1 0 387.347 2.745 20 0 GFADRO CS(=O)(=O)N1CC[C@@H](C[NH2+][C@@H]2CCCc3cc(Br)ccc32)C1 ZINC000479402776 564438990 /nfs/dbraw/zinc/43/89/90/564438990.db2.gz SPCJYHDSHVWDCZ-BLLLJJGKSA-N 1 0 387.343 2.698 20 0 GFADRO C[NH+](C)CCn1nccc1NC(=O)CCc1cc(F)ccc1Br ZINC000568923163 564440918 /nfs/dbraw/zinc/44/09/18/564440918.db2.gz OTSBTZBUVIEHPR-UHFFFAOYSA-N 1 0 383.265 2.918 20 0 GFADRO CC[C@@H]([NH2+][C@H]1CCn2ccnc2C1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000568943667 564441583 /nfs/dbraw/zinc/44/15/83/564441583.db2.gz FHEPXQJWFUSQDJ-DZGCQCFKSA-N 1 0 382.917 2.500 20 0 GFADRO CC(C)[C@H](Cn1cccn1)[NH2+]CCNC(=O)c1ccc(Br)cc1 ZINC000453079225 564445812 /nfs/dbraw/zinc/44/58/12/564445812.db2.gz YYUIRCMNMBZYKG-INIZCTEOSA-N 1 0 379.302 2.690 20 0 GFADRO COC1([C@H](C)[NH2+]C[C@@H](O)COc2cccc(Cl)c2Cl)CCOCC1 ZINC000453073162 564445939 /nfs/dbraw/zinc/44/59/39/564445939.db2.gz QIPJZOLDRPLKLJ-QWHCGFSZSA-N 1 0 378.296 2.907 20 0 GFADRO CN1CCN(C(=O)CC[N@@H+]2CCC[C@H]2c2cc(F)cc(Br)c2)CC1 ZINC000514189412 564446715 /nfs/dbraw/zinc/44/67/15/564446715.db2.gz HPKYSWSKSPUEKO-KRWDZBQOSA-N 1 0 398.320 2.889 20 0 GFADRO C[C@@H]([NH2+][C@H]1CC(=O)N(C2CC2)C1)c1ccc(F)c(I)c1 ZINC000453148188 564448529 /nfs/dbraw/zinc/44/85/29/564448529.db2.gz JQBPSURMMBGAPV-KOLCDFICSA-N 1 0 388.224 2.844 20 0 GFADRO COc1ccc(C[NH2+][C@@H]2CCc3nc(C)ncc3C2)c(Br)c1O ZINC000546183857 564448977 /nfs/dbraw/zinc/44/89/77/564448977.db2.gz BQZRIYHDSOYYHT-CYBMUJFWSA-N 1 0 378.270 2.909 20 0 GFADRO O=C(NCC[NH2+][C@@H](Cc1ccccc1Br)C1CC1)c1ccn[nH]1 ZINC000453199542 564449749 /nfs/dbraw/zinc/44/97/49/564449749.db2.gz SOYNEXUNKJFRFH-INIZCTEOSA-N 1 0 377.286 2.513 20 0 GFADRO C[C@@H]1CC2(CN1C(=O)C(=O)NCc1cccc(Cl)c1Cl)CC[NH2+]CC2 ZINC000569140199 564450872 /nfs/dbraw/zinc/45/08/72/564450872.db2.gz FVUVBPGQPJHHTP-GFCCVEGCSA-N 1 0 384.307 2.600 20 0 GFADRO C[C@H](NC[C@H]1CCC[N@@H+]1CCCO)c1ccccc1I ZINC000453259533 564451065 /nfs/dbraw/zinc/45/10/65/564451065.db2.gz PZUXERGDELCXRT-UONOGXRCSA-N 1 0 388.293 2.789 20 0 GFADRO COc1cc(C[N@H+](C)CC2(O)CCC2)cc(I)c1OC ZINC000546256141 564451338 /nfs/dbraw/zinc/45/13/38/564451338.db2.gz KVHAPYOJSKHUHY-UHFFFAOYSA-N 1 0 391.249 2.655 20 0 GFADRO C[C@H](N[C@@H](C)C(C)(F)F)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000453279529 564451765 /nfs/dbraw/zinc/45/17/65/564451765.db2.gz FWHDYVJHBFZQKC-KBPBESRZSA-N 1 0 377.501 2.611 20 0 GFADRO CC[C@@H]([NH2+][C@@H](CC)CNS(C)(=O)=O)c1cc(F)cc(Br)c1 ZINC000453276208 564452111 /nfs/dbraw/zinc/45/21/11/564452111.db2.gz FYJDKSSQTBOXJG-UONOGXRCSA-N 1 0 381.311 2.957 20 0 GFADRO CC[C@@H](CNS(C)(=O)=O)[NH2+][C@H]1CCCc2ccc(Br)cc21 ZINC000453281307 564452253 /nfs/dbraw/zinc/45/22/53/564452253.db2.gz KSYDOSOEKUUJJJ-ZFWWWQNUSA-N 1 0 375.332 2.744 20 0 GFADRO O[C@@H](C[NH2+]CCc1cnc2c(Cl)cnn2c1)COc1ccc(Cl)cc1 ZINC000514669249 564453609 /nfs/dbraw/zinc/45/36/09/564453609.db2.gz XKGIGIQPLJPELE-AWEZNQCLSA-N 1 0 381.263 2.608 20 0 GFADRO C[C@@H]([NH2+]CCC[C@H]1CCOC1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000453337259 564453803 /nfs/dbraw/zinc/45/38/03/564453803.db2.gz AUWUPUNMOGMOPP-NEPJUHHUSA-N 1 0 391.331 2.564 20 0 GFADRO CC[C@H](C[C@@H](C)CO)[NH2+]CCS(=O)(=O)c1cccc(Br)c1 ZINC000569222911 564454472 /nfs/dbraw/zinc/45/44/72/564454472.db2.gz QTDNGPGEBHOPIB-TZMCWYRMSA-N 1 0 378.332 2.610 20 0 GFADRO C[C@H]([NH2+]C[C@@H](CO)Cc1cc(Br)ccc1F)C(C)(C)n1cncn1 ZINC000453367329 564454596 /nfs/dbraw/zinc/45/45/96/564454596.db2.gz MCDAVDDRIHPCTQ-STQMWFEESA-N 1 0 399.308 2.744 20 0 GFADRO COc1ccc(Br)cc1C[C@@H](CO)C[NH2+][C@@H](C)c1ccnn1C ZINC000453393970 564455796 /nfs/dbraw/zinc/45/57/96/564455796.db2.gz ZTCUJZIFRMWFCT-QWHCGFSZSA-N 1 0 382.302 2.693 20 0 GFADRO Cc1cc(Br)c(C[N@@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)s1 ZINC000453560050 564456874 /nfs/dbraw/zinc/45/68/74/564456874.db2.gz GLRZBTMJOKHPDI-CYBMUJFWSA-N 1 0 387.343 2.890 20 0 GFADRO Cc1cc(Br)c(C[NH2+][C@H](C(=O)N2CCOCC2)C(C)C)s1 ZINC000453571547 564457941 /nfs/dbraw/zinc/45/79/41/564457941.db2.gz MPGPBKNQJTUZPG-AWEZNQCLSA-N 1 0 375.332 2.792 20 0 GFADRO C[C@H](Cn1cc(Br)ccc1=O)NCc1nccc(C(F)(F)F)n1 ZINC000569318752 564458246 /nfs/dbraw/zinc/45/82/46/564458246.db2.gz ZMLWOGRBQOGFPB-SECBINFHSA-N 1 0 391.191 2.598 20 0 GFADRO Cc1cc(Br)c(C[NH2+]C[C@@H]2CCC[C@H]2NS(C)(=O)=O)s1 ZINC000453564286 564458285 /nfs/dbraw/zinc/45/82/85/564458285.db2.gz GMOMFPOUODFDFP-CMPLNLGQSA-N 1 0 381.361 2.627 20 0 GFADRO COc1cc(C[NH2+][C@@H](C)C(=O)Nc2cccnc2C)cc(Br)c1O ZINC000453615389 564460006 /nfs/dbraw/zinc/46/00/06/564460006.db2.gz QMPALGIYGRAJGD-NSHDSACASA-N 1 0 394.269 2.984 20 0 GFADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)Nc1c(C)ccc(F)c1Br ZINC000453621989 564460669 /nfs/dbraw/zinc/46/06/69/564460669.db2.gz AHKXZMXIXXOADU-NSHDSACASA-N 1 0 388.281 2.682 20 0 GFADRO C[N@@H+]1CCC[C@@H](CNC(=O)NCc2cc(Br)cc3c2OCC3)C1 ZINC000546608742 564460880 /nfs/dbraw/zinc/46/08/80/564460880.db2.gz HMNVNXSREICYOG-LBPRGKRZSA-N 1 0 382.302 2.525 20 0 GFADRO C[C@H](Cn1cccn1)[NH2+][C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000480193800 564463241 /nfs/dbraw/zinc/46/32/41/564463241.db2.gz FIWACYIGMLLEDN-RISCZKNCSA-N 1 0 384.299 2.542 20 0 GFADRO COc1ccc(S(=O)(=O)N2CCC([NH2+][C@@H](C)CC(F)(F)F)CC2)cc1 ZINC000546649482 564463887 /nfs/dbraw/zinc/46/38/87/564463887.db2.gz SEDTZXSGFPVGSO-LBPRGKRZSA-N 1 0 380.432 2.779 20 0 GFADRO CCOc1c(Cl)cc(NC(=O)C(=O)NC[C@H](C)[NH+]2CCCC2)cc1Cl ZINC000546644884 564463906 /nfs/dbraw/zinc/46/39/06/564463906.db2.gz BAQFEANCJXMKLD-NSHDSACASA-N 1 0 388.295 2.931 20 0 GFADRO C[C@@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+]CCCCS(C)(=O)=O ZINC000569474190 564464652 /nfs/dbraw/zinc/46/46/52/564464652.db2.gz GGIHRHGJBHORAM-LBPRGKRZSA-N 1 0 380.432 2.837 20 0 GFADRO Cc1ccc(F)c(Br)c1NC(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000514995262 564464838 /nfs/dbraw/zinc/46/48/38/564464838.db2.gz BYBCYQLPLYORQU-GFCCVEGCSA-N 1 0 398.276 2.532 20 0 GFADRO CCC(O)(CC)C[NH2+][C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000480222085 564465042 /nfs/dbraw/zinc/46/50/42/564465042.db2.gz HHLYPZSHEBWHSP-CYBMUJFWSA-N 1 0 376.316 2.808 20 0 GFADRO C[C@H](CCCOc1ccccc1C(N)=O)[NH2+]Cc1n[nH]cc1Br ZINC000546715810 564466087 /nfs/dbraw/zinc/46/60/87/564466087.db2.gz QLULFXABAKOQFN-LLVKDONJSA-N 1 0 381.274 2.608 20 0 GFADRO COCC[N@@H+]1CC[C@H](NC(=O)c2cn(-c3ccc(Cl)c(Cl)c3)cn2)C1 ZINC000515030830 564466977 /nfs/dbraw/zinc/46/69/77/564466977.db2.gz VXWMIYGDEDFMJQ-LBPRGKRZSA-N 1 0 383.279 2.630 20 0 GFADRO C[NH+](C)[C@@]1(CNC(=O)c2cccc(OCc3cscn3)c2)CCSC1 ZINC000480280453 564467739 /nfs/dbraw/zinc/46/77/39/564467739.db2.gz FDRRMNQCOCAGDL-GOSISDBHSA-N 1 0 377.535 2.889 20 0 GFADRO C[NH+](C)[C@]1(CNC(=O)c2cccc(OCc3cscn3)c2)CCSC1 ZINC000480280455 564468032 /nfs/dbraw/zinc/46/80/32/564468032.db2.gz FDRRMNQCOCAGDL-SFHVURJKSA-N 1 0 377.535 2.889 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)c2c[nH]nc2-c2ccc(Cl)s2)CC12CCOCC2 ZINC000515059769 564468088 /nfs/dbraw/zinc/46/80/88/564468088.db2.gz LXAUONICTJDXKE-LLVKDONJSA-N 1 0 380.901 2.619 20 0 GFADRO CCOC(=O)c1cc2cc(S(=O)(=O)NCC[NH+](CC)CC)ccc2s1 ZINC000480310699 564468451 /nfs/dbraw/zinc/46/84/51/564468451.db2.gz XECFKERDFTYYOX-UHFFFAOYSA-N 1 0 384.523 2.698 20 0 GFADRO C[C@@H]([NH2+]CCNS(=O)(=O)c1cccc(Cl)c1Cl)[C@@]1(C)CCCO1 ZINC000515076996 564468493 /nfs/dbraw/zinc/46/84/93/564468493.db2.gz CDQYAVJXXPYNAJ-IAQYHMDHSA-N 1 0 381.325 2.819 20 0 GFADRO CS[C@H]1CN(C(=O)Nc2ccc(F)cc2OCC(F)F)C[C@@H]1[NH+](C)C ZINC000546852213 564471505 /nfs/dbraw/zinc/47/15/05/564471505.db2.gz BCUIYXWPQMYNJY-JSGCOSHPSA-N 1 0 377.432 2.979 20 0 GFADRO C[C@]1(C[NH2+]C[C@@H](O)COc2cc(F)cc(Br)c2)CCCC[C@@H]1O ZINC000569605541 564471710 /nfs/dbraw/zinc/47/17/10/564471710.db2.gz MMPIBPWEBUFRFY-HYVNUMGLSA-N 1 0 390.293 2.859 20 0 GFADRO C[C@H]1Cc2cc(S(=O)(=O)N3CCC4(CC[NH2+]CC4)CC3)cc(Cl)c2O1 ZINC000515300244 564474722 /nfs/dbraw/zinc/47/47/22/564474722.db2.gz LMPOHHQCCKULQR-ZDUSSCGKSA-N 1 0 384.929 2.818 20 0 GFADRO O=C(c1c(Cl)cccc1Cl)N1CCN(C(=O)[C@@H]2CCCCC[NH2+]2)CC1 ZINC000515384142 564477552 /nfs/dbraw/zinc/47/75/52/564477552.db2.gz MJCHHHNTOHTHGJ-HNNXBMFYSA-N 1 0 384.307 2.810 20 0 GFADRO O=C(CCC1CC[NH2+]CC1)N1CCN(Cc2ccc(Br)cc2)CC1 ZINC000569813338 564479286 /nfs/dbraw/zinc/47/92/86/564479286.db2.gz FATYUBJVAFUUSI-UHFFFAOYSA-N 1 0 394.357 2.873 20 0 GFADRO C[N@@H+]1CC[C@@](O)(CNC(=O)c2ccc(-c3ccc(Br)cc3)s2)C1 ZINC000547275652 564481688 /nfs/dbraw/zinc/48/16/88/564481688.db2.gz JUSZWCKRQIWONQ-QGZVFWFLSA-N 1 0 395.322 2.974 20 0 GFADRO Cc1cc(Br)ccc1C(=O)N1CCC([NH2+]C[C@@H](CO)C2CC2)CC1 ZINC000515562226 564482245 /nfs/dbraw/zinc/48/22/45/564482245.db2.gz VFKQZAFHVZNPPF-HNNXBMFYSA-N 1 0 395.341 2.970 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1Br ZINC000453958196 564484645 /nfs/dbraw/zinc/48/46/45/564484645.db2.gz VDSCMNAZLYKRFM-AGUYFDCRSA-N 1 0 394.313 2.746 20 0 GFADRO COC(=O)C[C@](C)([NH2+]CCCN1CCCC1=O)c1ccc(Br)cc1 ZINC000569994762 564486527 /nfs/dbraw/zinc/48/65/27/564486527.db2.gz MBTHAGMUXVUMES-SFHVURJKSA-N 1 0 397.313 2.830 20 0 GFADRO COCC[N@H+](C)CCCN[C@@H](C)c1ccccc1I ZINC000480760647 564487331 /nfs/dbraw/zinc/48/73/31/564487331.db2.gz RRVWQGBJMDRIEN-ZDUSSCGKSA-N 1 0 376.282 2.910 20 0 GFADRO Cc1cc2c(cc1S(=O)(=O)N(CC[NH+](C)C)Cc1cccs1)OCO2 ZINC000480807767 564489262 /nfs/dbraw/zinc/48/92/62/564489262.db2.gz XFHZFLPRYFIXJM-UHFFFAOYSA-N 1 0 382.507 2.538 20 0 GFADRO O=S1(=O)CCCN1c1ccc(C[NH2+]Cc2cnc(C3CC3)s2)cc1F ZINC000547505660 564491836 /nfs/dbraw/zinc/49/18/36/564491836.db2.gz XHRKZEWUABYLAD-UHFFFAOYSA-N 1 0 381.498 2.989 20 0 GFADRO O=C1[C@H]2CSCCN2C(=O)N1C[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000516136698 564494049 /nfs/dbraw/zinc/49/40/49/564494049.db2.gz ZRAKGPFFBZJSAF-HZPDHXFCSA-N 1 0 379.913 2.857 20 0 GFADRO COCC[N@H+](C)CCCNC(=O)NCc1cc(Cl)ccc1Br ZINC000516177282 564495046 /nfs/dbraw/zinc/49/50/46/564495046.db2.gz BRDQMXDNACRIDK-UHFFFAOYSA-N 1 0 392.725 2.870 20 0 GFADRO Cc1cc(NC(=O)C(=O)NCCCC[N@@H+](C)C2CC2)cc(C)c1Br ZINC000454094628 564496903 /nfs/dbraw/zinc/49/69/03/564496903.db2.gz FJZOHSSRFNNPBB-UHFFFAOYSA-N 1 0 396.329 2.995 20 0 GFADRO COC(=O)c1ccc(C[NH2+][C@H](CCO)C2CCOCC2)c(Br)c1 ZINC000570231290 564497096 /nfs/dbraw/zinc/49/70/96/564497096.db2.gz QNNBBNXHYLRSJK-MRXNPFEDSA-N 1 0 386.286 2.503 20 0 GFADRO Cc1cc(C[C@H](C)[NH2+]C[C@@H](O)COc2cc(F)cc(Br)c2)[nH]n1 ZINC000516277066 564498502 /nfs/dbraw/zinc/49/85/02/564498502.db2.gz UCXSBJCULSRWNS-ZUZCIYMTSA-N 1 0 386.265 2.580 20 0 GFADRO COc1c(Cl)cc(NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C(C)C)C2)cc1Cl ZINC000454112587 564498594 /nfs/dbraw/zinc/49/85/94/564498594.db2.gz VXMCPQFRLGXNDF-GFCCVEGCSA-N 1 0 388.295 2.882 20 0 GFADRO OCc1cn(CCC[NH2+][C@H]2CCSc3ccc(Br)cc32)nn1 ZINC000516353086 564500834 /nfs/dbraw/zinc/50/08/34/564500834.db2.gz NGDZZNLSPVHSSJ-AWEZNQCLSA-N 1 0 383.315 2.750 20 0 GFADRO OCC1([C@H]([NH2+]Cc2ncc(Br)s2)C2CCOCC2)CCC1 ZINC000570325603 564501153 /nfs/dbraw/zinc/50/11/53/564501153.db2.gz GNBXPFCTOQXZMU-CQSZACIVSA-N 1 0 375.332 2.953 20 0 GFADRO O=C(COc1ccc(F)cc1Br)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000570396085 564503593 /nfs/dbraw/zinc/50/35/93/564503593.db2.gz WZMVPZFSKBJRKO-STQMWFEESA-N 1 0 385.277 2.815 20 0 GFADRO CN(C)S(=O)(=O)c1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCCC[C@H]2O)s1 ZINC000570391912 564503611 /nfs/dbraw/zinc/50/36/11/564503611.db2.gz OOBSBPYMKKQKBT-GVDBMIGSSA-N 1 0 386.583 2.904 20 0 GFADRO O=C(NCc1cc(Cl)sc1Cl)Nc1cnc(N2CC[NH2+]CC2)nc1 ZINC000516633112 564508224 /nfs/dbraw/zinc/50/82/24/564508224.db2.gz BXJODJYNICRDJU-UHFFFAOYSA-N 1 0 387.296 2.576 20 0 GFADRO C[C@@H](NC(=O)[C@H]1CC(=O)Nc2ccc(Br)cc21)C1=CC[N@H+](C)CC1 ZINC000570496507 564508270 /nfs/dbraw/zinc/50/82/70/564508270.db2.gz VDUGWEODDDXWNI-ABAIWWIYSA-N 1 0 392.297 2.642 20 0 GFADRO CCOc1cc(Br)c(NC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1OCC ZINC000570498519 564508340 /nfs/dbraw/zinc/50/83/40/564508340.db2.gz KKYWVICIBLIQON-RTUWITSCSA-N 1 0 384.274 2.586 20 0 GFADRO CCCN(Cc1ccccc1Br)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000570501445 564509076 /nfs/dbraw/zinc/50/90/76/564509076.db2.gz GLWJWLWGXQAHQM-HNNXBMFYSA-N 1 0 384.318 2.749 20 0 GFADRO Cc1cc(Br)c(S(=O)(=O)NC[C@]2([NH+](C)C)CCSC2)s1 ZINC000481346401 564510308 /nfs/dbraw/zinc/51/03/08/564510308.db2.gz WALIPXJUEALKOK-GFCCVEGCSA-N 1 0 399.401 2.535 20 0 GFADRO CCN(CC)C(=O)C[NH+]1CCC(NC(=O)CCc2cc(Cl)cs2)CC1 ZINC000570527052 564510824 /nfs/dbraw/zinc/51/08/24/564510824.db2.gz PUHCUWNBTCVQEY-UHFFFAOYSA-N 1 0 385.961 2.783 20 0 GFADRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)C1=Cc2cc(Br)ccc2OC1 ZINC000481355799 564511145 /nfs/dbraw/zinc/51/11/45/564511145.db2.gz WXFALXALIKXDRC-HOTGVXAUSA-N 1 0 377.282 2.968 20 0 GFADRO COCC[N@@H+]1CCCN(C(=O)[C@H]2CCc3cc(Br)ccc32)CC1 ZINC000570571960 564512930 /nfs/dbraw/zinc/51/29/30/564512930.db2.gz LGUKJASREAWETL-KRWDZBQOSA-N 1 0 381.314 2.660 20 0 GFADRO C[C@@]([NH3+])(C(=O)NC[C@H](CO)Cc1ccccc1)c1ccc(Br)cc1 ZINC000570680253 564517427 /nfs/dbraw/zinc/51/74/27/564517427.db2.gz LEUPRTOIVHMJSR-BEFAXECRSA-N 1 0 391.309 2.590 20 0 GFADRO Cc1nc(CNC(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)sc1Br ZINC000454709075 564519403 /nfs/dbraw/zinc/51/94/03/564519403.db2.gz GTGQQQUQSLLDJS-WDEREUQCSA-N 1 0 375.336 2.886 20 0 GFADRO [NH3+][C@@H]1C[C@H]2CN(C(=O)c3sc4cc(Cl)ccc4c3Cl)CCN2C1=O ZINC000516981913 564519638 /nfs/dbraw/zinc/51/96/38/564519638.db2.gz PPONDTBJVJNTAH-GXSJLCMTSA-N 1 0 384.288 2.592 20 0 GFADRO CC(C)(C[NH2+]C[C@H](O)COC1CCOCC1)c1cccc(Br)c1 ZINC000570795436 564521497 /nfs/dbraw/zinc/52/14/97/564521497.db2.gz SYMCZJBZCVDDHS-INIZCTEOSA-N 1 0 386.330 2.873 20 0 GFADRO COc1cc(CN(C)CCC[NH+](C)C)cc(I)c1OC ZINC000517057195 564523688 /nfs/dbraw/zinc/52/36/88/564523688.db2.gz KECNQNZXTHYBEA-UHFFFAOYSA-N 1 0 392.281 2.692 20 0 GFADRO C[NH+](C)[C@]1(CNC(=O)N2CCc3c(Br)cccc3C2)CCSC1 ZINC000481791751 564524526 /nfs/dbraw/zinc/52/45/26/564524526.db2.gz CXGKPWGKRJNEPK-KRWDZBQOSA-N 1 0 398.370 2.954 20 0 GFADRO O[C@H](C[NH2+][C@@H]1C[C@@H]2OCCC[C@H]12)COc1ccc(Cl)cc1Br ZINC000517129636 564524955 /nfs/dbraw/zinc/52/49/55/564524955.db2.gz GEBBMURATWXBAL-NCZKRNLISA-N 1 0 390.705 2.999 20 0 GFADRO CC[C@H]([NH2+]CCN1CCCS1(=O)=O)c1cc(F)cc(Br)c1 ZINC000547947659 564525148 /nfs/dbraw/zinc/52/51/48/564525148.db2.gz IGCWORVSINEKIE-AWEZNQCLSA-N 1 0 379.295 2.664 20 0 GFADRO Cc1cc(Br)ccc1CN(C)C(=O)NCC[N@@H+]1CCCOCC1 ZINC000455004221 564532010 /nfs/dbraw/zinc/53/20/10/564532010.db2.gz PFROVGYSDCAUAK-UHFFFAOYSA-N 1 0 384.318 2.621 20 0 GFADRO O=S(=O)(Cc1ccc(F)cc1)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000482099523 564534291 /nfs/dbraw/zinc/53/42/91/564534291.db2.gz GJUGTDUTPJLNBU-UHFFFAOYSA-N 1 0 386.558 2.997 20 0 GFADRO O=C(NC[C@@H]1CCC[N@H+]1CCCO)Nc1ccc(Cl)cc1OC(F)F ZINC000455133464 564537937 /nfs/dbraw/zinc/53/79/37/564537937.db2.gz DDAPIGLJRWXDAH-LBPRGKRZSA-N 1 0 377.819 2.910 20 0 GFADRO O=S(=O)(Cc1ccon1)NCC[NH2+]CCCc1c(Cl)cccc1Cl ZINC000482209149 564538430 /nfs/dbraw/zinc/53/84/30/564538430.db2.gz IJUGICWARPZZKG-UHFFFAOYSA-N 1 0 392.308 2.623 20 0 GFADRO C[C@@H](CNC(=O)c1ccc(I)cc1F)[NH+]1CCCC1 ZINC000517677807 564539419 /nfs/dbraw/zinc/53/94/19/564539419.db2.gz RGJQXWXAGPEBEZ-JTQLQIEISA-N 1 0 376.213 2.644 20 0 GFADRO CC[NH+]1C[C@@H](C)N(C(=O)c2c(C)nc3ccc(Br)cn32)[C@H](C)C1 ZINC000571201003 564540307 /nfs/dbraw/zinc/54/03/07/564540307.db2.gz KPURSKGABADLQQ-VXGBXAGGSA-N 1 0 379.302 2.960 20 0 GFADRO CC[NH+](CC)CCS(=O)(=O)N1CCO[C@@H](c2ccc(F)cc2Cl)C1 ZINC000571248500 564542679 /nfs/dbraw/zinc/54/26/79/564542679.db2.gz UKLBNSHFIUXNLD-MRXNPFEDSA-N 1 0 378.897 2.524 20 0 GFADRO C[C@@H](NC(=O)C[N@@H+]1CC[C@H](C)C1)c1cc2c(cc1Br)OCCO2 ZINC000517959750 564543835 /nfs/dbraw/zinc/54/38/35/564543835.db2.gz LGNZBCJJHKHZAH-NWDGAFQWSA-N 1 0 383.286 2.739 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NCc1nc(C)c(Br)s1 ZINC000455227790 564544009 /nfs/dbraw/zinc/54/40/09/564544009.db2.gz JDWAUXSDDQDONB-NSHDSACASA-N 1 0 375.336 2.840 20 0 GFADRO CC(C)([NH3+])c1noc(CN2CCO[C@@H](c3ccc(F)c(Br)c3)C2)n1 ZINC000571284756 564544970 /nfs/dbraw/zinc/54/49/70/564544970.db2.gz OHIPONRXAJILMK-CYBMUJFWSA-N 1 0 399.264 2.739 20 0 GFADRO CN(C)CC[N@H+](C)CCCNC(=O)Nc1cc(F)cc(F)c1Br ZINC000455266205 564545448 /nfs/dbraw/zinc/54/54/48/564545448.db2.gz YLZCBZHCBSZFFG-UHFFFAOYSA-N 1 0 393.276 2.732 20 0 GFADRO COC(=O)c1cc(NC(=O)NC(C)(C)C[NH+](C)C)cc(Br)c1F ZINC000455263632 564546010 /nfs/dbraw/zinc/54/60/10/564546010.db2.gz BBGSUPAADRQLCV-UHFFFAOYSA-N 1 0 390.253 2.837 20 0 GFADRO CN(Cc1c(F)cccc1Cl)S(=O)(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000518089259 564546037 /nfs/dbraw/zinc/54/60/37/564546037.db2.gz FPIZNHUCXGQGTL-CQSZACIVSA-N 1 0 389.924 2.716 20 0 GFADRO C[C@H]([NH2+]CCCN1CCC[C@H]1C(N)=O)c1cc(Cl)ccc1OC(F)F ZINC000482631581 564547267 /nfs/dbraw/zinc/54/72/67/564547267.db2.gz SMEBDRMHJYGKSD-FZMZJTMJSA-N 1 0 375.847 2.932 20 0 GFADRO C[C@H]([NH2+]C[C@@H](O)CN1CCc2ccccc2C1)c1cncc(Br)c1 ZINC000518218882 564548790 /nfs/dbraw/zinc/54/87/90/564548790.db2.gz TUJSIPQCGROXIA-IFXJQAMLSA-N 1 0 390.325 2.914 20 0 GFADRO CC[C@@H]([NH3+])CNC(=O)c1nn(-c2cccc(Br)c2)c2c1CCCC2 ZINC000571402934 564550201 /nfs/dbraw/zinc/55/02/01/564550201.db2.gz NCLAVPUFJUTIQY-CYBMUJFWSA-N 1 0 391.313 2.981 20 0 GFADRO O=C([C@@H]1CCC[N@H+]1CCOc1cccc(Br)c1)N1CCSCC1 ZINC000518333928 564550475 /nfs/dbraw/zinc/55/04/75/564550475.db2.gz ZZJHCSVPKBQRBO-INIZCTEOSA-N 1 0 399.354 2.868 20 0 GFADRO CO[C@@H]1CCN(C(=O)CCCOc2ccccc2Br)[C@@H](C[NH3+])C1 ZINC000571432040 564550940 /nfs/dbraw/zinc/55/09/40/564550940.db2.gz BNYDJNRREIWCMO-ZIAGYGMSSA-N 1 0 385.302 2.573 20 0 GFADRO COc1ccc(C(=O)Nc2cnc3c(c2)C[C@@H]([NH3+])CC3)cc1Br ZINC000518361229 564551537 /nfs/dbraw/zinc/55/15/37/564551537.db2.gz PTXDNCHPKKNNPP-LBPRGKRZSA-N 1 0 376.254 2.921 20 0 GFADRO Cc1cc(NC(=O)CNC(=O)c2ccc3c[nH+]cn3c2)ccc1Br ZINC000518388883 564552569 /nfs/dbraw/zinc/55/25/69/564552569.db2.gz UUKHWXDHBXAQSW-UHFFFAOYSA-N 1 0 387.237 2.774 20 0 GFADRO CCC(C)(C)[NH2+][C@@H](C)C(=O)NCC(=O)Nc1ccc(Br)c(C)c1 ZINC000548449677 564552903 /nfs/dbraw/zinc/55/29/03/564552903.db2.gz WDSLPYOAZIBJCB-LBPRGKRZSA-N 1 0 384.318 2.979 20 0 GFADRO CN(C(=O)C[C@@H]1Sc2ccc(Cl)cc2NC1=O)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000518428088 564553197 /nfs/dbraw/zinc/55/31/97/564553197.db2.gz MVSOOCUTZJYNLX-CJNGLKHVSA-N 1 0 379.913 2.838 20 0 GFADRO CC[NH+](CC)C[C@@H](C)NC(=O)N(C)[C@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000482923208 564553710 /nfs/dbraw/zinc/55/37/10/564553710.db2.gz WSJVLFDVTHVREF-DOMZBBRYSA-N 1 0 387.933 2.540 20 0 GFADRO O[C@H](C[NH2+][C@H]1CSc2ccc(Br)cc21)COC1CCOCC1 ZINC000571515888 564554276 /nfs/dbraw/zinc/55/42/76/564554276.db2.gz DHDYULIQVFDKKF-DOMZBBRYSA-N 1 0 388.327 2.742 20 0 GFADRO COCCC(C)(C)C[NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000571517310 564554640 /nfs/dbraw/zinc/55/46/40/564554640.db2.gz QWZJATJBZABJKA-CQSZACIVSA-N 1 0 378.282 2.980 20 0 GFADRO O=C(NCC1CC[NH2+]CC1)N[C@H](CO)c1ccc(Cl)cc1C(F)(F)F ZINC000518499019 564555131 /nfs/dbraw/zinc/55/51/31/564555131.db2.gz BDRNIJOIZLGGMQ-CQSZACIVSA-N 1 0 379.810 2.691 20 0 GFADRO [NH3+]CC[C@@H]1CCCCN1C(=O)c1ccc(S(=O)(=O)c2ccccc2)s1 ZINC000518517605 564555267 /nfs/dbraw/zinc/55/52/67/564555267.db2.gz FWJOMDCBSWBHHG-AWEZNQCLSA-N 1 0 378.519 2.924 20 0 GFADRO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)Nc1ccc(OC(F)(F)F)c(Cl)c1 ZINC000571519833 564555549 /nfs/dbraw/zinc/55/55/49/564555549.db2.gz PHTOQAGWIDNFTJ-VIFPVBQESA-N 1 0 381.782 2.634 20 0 GFADRO CC(C)C[C@](C)([NH2+]CCCS(N)(=O)=O)c1cccc(Br)c1 ZINC000483055867 564557344 /nfs/dbraw/zinc/55/73/44/564557344.db2.gz CHNFZHIABFVWLU-HNNXBMFYSA-N 1 0 377.348 2.979 20 0 GFADRO C[C@@H](CO)[N@@H+](CC(=O)N(C)Cc1cc(Br)cs1)CC1CCC1 ZINC000483159300 564559639 /nfs/dbraw/zinc/55/96/39/564559639.db2.gz RMMCEHMWZNVICP-LBPRGKRZSA-N 1 0 389.359 2.952 20 0 GFADRO O=S(=O)(c1cc(F)ccc1OC(F)F)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000571632412 564559701 /nfs/dbraw/zinc/55/97/01/564559701.db2.gz DOAPSMBTPCBLEX-YPMHNXCESA-N 1 0 378.416 2.580 20 0 GFADRO C[C@@H](CO)[N@H+](C[C@@H](O)COc1cc(F)cc(Br)c1)CC1CCC1 ZINC000483140624 564560015 /nfs/dbraw/zinc/56/00/15/564560015.db2.gz IRJUJIDOZRGWAA-BLLLJJGKSA-N 1 0 390.293 2.811 20 0 GFADRO CS(=O)(=O)C1CCC([NH2+]C[C@H](O)Cc2ccccc2C(F)(F)F)CC1 ZINC000571671017 564561436 /nfs/dbraw/zinc/56/14/36/564561436.db2.gz NQODSXYXXRDLQY-SHARSMKWSA-N 1 0 379.444 2.554 20 0 GFADRO CC(C)[N@H+](C)C[C@H](C)NC(=O)C(=O)Nc1c(F)cc(Br)cc1F ZINC000571725881 564563733 /nfs/dbraw/zinc/56/37/33/564563733.db2.gz LHNNKJCOFRIXLF-VIFPVBQESA-N 1 0 392.244 2.511 20 0 GFADRO CSCC[N@H+](C)CC(=O)N(C)CCOc1ccc(Br)cc1 ZINC000483317343 564564107 /nfs/dbraw/zinc/56/41/07/564564107.db2.gz VJJQPFINHAYJFD-UHFFFAOYSA-N 1 0 375.332 2.581 20 0 GFADRO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000483396286 564566418 /nfs/dbraw/zinc/56/64/18/564566418.db2.gz CEMLUDTWLAKBIQ-HOTGVXAUSA-N 1 0 386.323 2.941 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(I)cn2)C[C@@H]1C ZINC000455728748 564566512 /nfs/dbraw/zinc/56/65/12/564566512.db2.gz BFTBIWRFOIADFQ-AAEUAGOBSA-N 1 0 387.265 2.631 20 0 GFADRO Cc1cc(Br)cc(NC(=O)C(=O)NC[C@H]2CC[N@@H+](C(C)C)C2)c1 ZINC000548602844 564566565 /nfs/dbraw/zinc/56/65/65/564566565.db2.gz RFOGPGYIQBJJMV-CYBMUJFWSA-N 1 0 382.302 2.543 20 0 GFADRO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000483423647 564567027 /nfs/dbraw/zinc/56/70/27/564567027.db2.gz YIBRQQPCODGVIL-KBPBESRZSA-N 1 0 386.323 2.941 20 0 GFADRO CC(C)[N@@H+]1CCc2nc(CN3CCSC[C@@H]3c3cnn(C)c3)sc2C1 ZINC000483416565 564567597 /nfs/dbraw/zinc/56/75/97/564567597.db2.gz COLUFNJZBQRRTF-MRXNPFEDSA-N 1 0 377.583 2.933 20 0 GFADRO CCC[N@H+](C)CC(=O)N1CCC(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000519334104 564575199 /nfs/dbraw/zinc/57/51/99/564575199.db2.gz YTTDOFATUGPTFH-UHFFFAOYSA-N 1 0 396.329 2.968 20 0 GFADRO Cc1nc2cc(Cl)c(NC(=O)C(=O)NC[C@H](C)[N@H+](C)C3CC3)cc2s1 ZINC000483878762 564576344 /nfs/dbraw/zinc/57/63/44/564576344.db2.gz LBDVXZUNPHPGFL-VIFPVBQESA-N 1 0 380.901 2.796 20 0 GFADRO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)CCc1nc2cc(Cl)ccc2s1 ZINC000572011406 564577438 /nfs/dbraw/zinc/57/74/38/564577438.db2.gz BDWYSYARUZRWNT-QWHCGFSZSA-N 1 0 381.929 2.796 20 0 GFADRO O=C(C[NH2+][C@@H](CO)C1CCOCC1)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000519458617 564577904 /nfs/dbraw/zinc/57/79/04/564577904.db2.gz OQFNYAKXVOJASP-AWEZNQCLSA-N 1 0 380.794 2.674 20 0 GFADRO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@H]1CC(=O)N2CCCC[C@@H]12 ZINC000548880136 564579626 /nfs/dbraw/zinc/57/96/26/564579626.db2.gz RNGRWWKYKFONOC-KCXAZCMYSA-N 1 0 394.313 2.909 20 0 GFADRO C[C@@H](NC(=O)NC[C@@H](c1cccs1)[NH+](C)C)c1ncc(Br)cn1 ZINC000572096572 564580913 /nfs/dbraw/zinc/58/09/13/564580913.db2.gz HRQZNWJQEXHBCM-PWSUYJOCSA-N 1 0 398.330 2.964 20 0 GFADRO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)N(C)Cc2ccc(Cl)s2)C1 ZINC000484063026 564581654 /nfs/dbraw/zinc/58/16/54/564581654.db2.gz CRLIPUANFYSLBW-ZDUSSCGKSA-N 1 0 385.961 2.987 20 0 GFADRO O=C1C[C@@H](NCc2cn(-c3cccc(Cl)c3Cl)nn2)[C@H]2CCCCN12 ZINC000548976077 564582238 /nfs/dbraw/zinc/58/22/38/564582238.db2.gz JQDXFFIIRSGEPH-ZIAGYGMSSA-N 1 0 380.279 2.817 20 0 GFADRO CCS(=O)(=O)N(C)CCC[NH2+][C@@H]1CCc2sc(Br)cc21 ZINC000572138896 564582297 /nfs/dbraw/zinc/58/22/97/564582297.db2.gz YLKYMUSHEYLYDE-LLVKDONJSA-N 1 0 381.361 2.759 20 0 GFADRO CN(Cc1c(Cl)cccc1Cl)C(=O)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000484202891 564583533 /nfs/dbraw/zinc/58/35/33/564583533.db2.gz QACKYWBRAPVRIT-OLZOCXBDSA-N 1 0 386.323 2.941 20 0 GFADRO C[C@H]1[C@H](NC(=O)C(=O)Nc2cccc(Cl)c2Br)CCC[N@@H+]1C ZINC000484253777 564584944 /nfs/dbraw/zinc/58/49/44/564584944.db2.gz DBYUENMGTZPBCN-GXSJLCMTSA-N 1 0 388.693 2.640 20 0 GFADRO CCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[NH+](CC2CC2)CC1 ZINC000549084747 564586218 /nfs/dbraw/zinc/58/62/18/564586218.db2.gz LBDLIFXNOMDZDT-UHFFFAOYSA-N 1 0 379.306 2.588 20 0 GFADRO CC(C)[C@@](C)([NH2+]C[C@H](O)CN1CCOCC1)c1ccc(Br)cc1 ZINC000484409346 564587793 /nfs/dbraw/zinc/58/77/93/564587793.db2.gz RSEVZDQXLRMMFB-ZWKOTPCHSA-N 1 0 385.346 2.603 20 0 GFADRO [NH3+]C1C[C@H]2CC[C@@H](C1)C2NS(=O)(=O)c1c(Cl)cccc1Br ZINC000519717815 564588122 /nfs/dbraw/zinc/58/81/22/564588122.db2.gz WRIFBXVCEFUANB-HMKSTLMESA-N 1 0 393.734 2.897 20 0 GFADRO COc1ccc(Br)c([C@H](CO)N(C)C(=O)C[NH+]2CCC(C)CC2)c1 ZINC000456107342 564589238 /nfs/dbraw/zinc/58/92/38/564589238.db2.gz RAZQFNUUTBSEKS-KRWDZBQOSA-N 1 0 399.329 2.681 20 0 GFADRO O[C@H](C[NH2+]Cc1cccc(Br)c1Cl)COC1CCOCC1 ZINC000519759720 564589339 /nfs/dbraw/zinc/58/93/39/564589339.db2.gz LEXWCUVELJPUIU-GFCCVEGCSA-N 1 0 378.694 2.749 20 0 GFADRO C[NH+](C)CCOc1cnccc1CNC(=O)c1ccc(Br)cc1F ZINC000572321639 564589533 /nfs/dbraw/zinc/58/95/33/564589533.db2.gz YZWMRRJBSTURIL-UHFFFAOYSA-N 1 0 396.260 2.854 20 0 GFADRO CC(C)(C)c1nc2ccc(S(=O)(=O)N3CC[C@@H]4C[NH2+]C[C@@H]4C3)cc2s1 ZINC000519775708 564590583 /nfs/dbraw/zinc/59/05/83/564590583.db2.gz USNLJCBZUYUYMJ-CHWSQXEVSA-N 1 0 379.551 2.824 20 0 GFADRO O=C(CC[N@@H+]1CC[C@@H](N2CCCC2=O)C1)Nc1ccc(Br)cc1F ZINC000572369262 564592315 /nfs/dbraw/zinc/59/23/15/564592315.db2.gz HNAHWVQPNMBZCR-CYBMUJFWSA-N 1 0 398.276 2.614 20 0 GFADRO O=C(C1CC[NH+](C2CC2)CC1)N(CCO)Cc1ccc(Br)s1 ZINC000549359531 564592926 /nfs/dbraw/zinc/59/29/26/564592926.db2.gz BSJPHJJRVAQVSY-UHFFFAOYSA-N 1 0 387.343 2.706 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)c(C)c1C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000572404379 564593446 /nfs/dbraw/zinc/59/34/46/564593446.db2.gz ITHMNWCYZTZZCM-AWEZNQCLSA-N 1 0 391.313 2.981 20 0 GFADRO Cc1c(Br)cccc1S(=O)(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000549510190 564596013 /nfs/dbraw/zinc/59/60/13/564596013.db2.gz XOPQBYALXFLERN-MRXNPFEDSA-N 1 0 387.343 2.864 20 0 GFADRO FC(F)(F)CN1CC[C@@H]([NH2+]Cc2c(Cl)cccc2N2CCOCC2)C1 ZINC000549726170 564603181 /nfs/dbraw/zinc/60/31/81/564603181.db2.gz LWMCASKICKDKPC-CYBMUJFWSA-N 1 0 377.838 2.903 20 0 GFADRO O=C(c1cn(-c2ccc(Br)cc2)cn1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000520395887 564603435 /nfs/dbraw/zinc/60/34/35/564603435.db2.gz VATHLVRCVYNWCR-HNNXBMFYSA-N 1 0 375.270 2.601 20 0 GFADRO CC[C@@H]1C[N@H+](CC)CCN1C(=O)c1cc(Br)cc(C(=O)OC)c1 ZINC000456371189 564603703 /nfs/dbraw/zinc/60/37/03/564603703.db2.gz GUCVBEPHACQURW-OAHLLOKOSA-N 1 0 383.286 2.792 20 0 GFADRO COC[C@H](C)C(=O)Nc1cc(Br)ccc1N1CC[N@H+](C)C[C@@H]1C ZINC000456379591 564604847 /nfs/dbraw/zinc/60/48/47/564604847.db2.gz VPCPHPQBSYEIMU-STQMWFEESA-N 1 0 384.318 2.810 20 0 GFADRO CC(C)[C@@H](CO)C(=O)Nc1cc(Br)ccc1N1CC[N@H+](C)C[C@H]1C ZINC000456381242 564604891 /nfs/dbraw/zinc/60/48/91/564604891.db2.gz WUHBTDZFWNMOHT-UKRRQHHQSA-N 1 0 398.345 2.792 20 0 GFADRO CC[C@@H]1C[N@H+](CC)CCN1C(=O)c1c(C)nc2ccc(Br)cn21 ZINC000456392219 564604903 /nfs/dbraw/zinc/60/49/03/564604903.db2.gz WWYHRVMKBLIENG-CQSZACIVSA-N 1 0 379.302 2.962 20 0 GFADRO CCC[N@H+](CCC(=O)Nc1ccc(OC)c(Cl)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000485038412 564605409 /nfs/dbraw/zinc/60/54/09/564605409.db2.gz ZWRAWSYYVGORHV-CQSZACIVSA-N 1 0 388.917 2.576 20 0 GFADRO Cc1cc(C(=O)NC[C@H]2C[NH2+]CCCO2)nn1-c1ccc(Cl)c(Cl)c1 ZINC000520565540 564607101 /nfs/dbraw/zinc/60/71/01/564607101.db2.gz GKDGGMQSALNCMY-CYBMUJFWSA-N 1 0 383.279 2.596 20 0 GFADRO COc1ccc(Br)c(C(=O)N2CCC(OCC[NH+](C)C)CC2)c1 ZINC000485123653 564607426 /nfs/dbraw/zinc/60/74/26/564607426.db2.gz ZYNHLDGNTWHWSX-UHFFFAOYSA-N 1 0 385.302 2.641 20 0 GFADRO OCc1cn(CCC[NH2+]Cc2ccc(-c3ccc(Br)cc3)o2)nn1 ZINC000572710319 564607496 /nfs/dbraw/zinc/60/74/96/564607496.db2.gz TYJHSZZBHJDEKS-UHFFFAOYSA-N 1 0 391.269 2.973 20 0 GFADRO CCO[C@@H]1C[C@H]([NH2+]Cc2cnc3ccc(Br)cn23)[C@@H]1n1cccn1 ZINC000549942479 564611135 /nfs/dbraw/zinc/61/11/35/564611135.db2.gz WOPAMIAYQAPZOW-UXLLHSPISA-N 1 0 390.285 2.802 20 0 GFADRO CCS[C@@H]1CCC[C@@H](NC(=O)C(=O)NC[C@H](c2cccs2)[NH+](C)C)C1 ZINC000550001824 564612700 /nfs/dbraw/zinc/61/27/00/564612700.db2.gz PTRDGUHXWPAEGQ-RBSFLKMASA-N 1 0 383.583 2.648 20 0 GFADRO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)C(=O)Nc1ccccc1Br ZINC000520789785 564613045 /nfs/dbraw/zinc/61/30/45/564613045.db2.gz DAEUFWODDJUPTD-STQMWFEESA-N 1 0 382.302 2.767 20 0 GFADRO COCC[N@H+](C)CCNC(=O)CCSc1ccc(Br)cc1 ZINC000520977417 564616788 /nfs/dbraw/zinc/61/67/88/564616788.db2.gz OVOVZAJYHCPTLG-UHFFFAOYSA-N 1 0 375.332 2.626 20 0 GFADRO CC[C@@H](C)[NH+]1CCN(C(=O)[C@@H](C)NC(=O)c2ccc(Br)cc2)CC1 ZINC000456563150 564618021 /nfs/dbraw/zinc/61/80/21/564618021.db2.gz WIYJQOWKTGLSRH-ZIAGYGMSSA-N 1 0 396.329 2.510 20 0 GFADRO CC[N@@H+]1CC[C@H]2OCCN(CC[S@](=O)c3cc(Cl)ccc3Cl)[C@H]2C1 ZINC000550226383 564618146 /nfs/dbraw/zinc/61/81/46/564618146.db2.gz LYIHZBRVRCOYAF-DXMSMQRWSA-N 1 0 391.364 2.896 20 0 GFADRO COC[C@H](C)OC[C@H](O)C[NH2+]CCc1ccc(Br)cc1Cl ZINC000572992834 564618389 /nfs/dbraw/zinc/61/83/89/564618389.db2.gz BHIYJUGMRCPPTQ-SMDDNHRTSA-N 1 0 380.710 2.647 20 0 GFADRO COc1cc(C(=O)N(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)cc(Br)c1OC ZINC000550280027 564618875 /nfs/dbraw/zinc/61/88/75/564618875.db2.gz YCUCOZAFTZBZCV-SMDDNHRTSA-N 1 0 385.302 2.879 20 0 GFADRO Cc1cc(Br)cc(Cl)c1C(=O)NC[C@]1(O)C[NH+]2CCC1CC2 ZINC000573019054 564619826 /nfs/dbraw/zinc/61/98/26/564619826.db2.gz LYZSOYKYLGSZEN-INIZCTEOSA-N 1 0 387.705 2.597 20 0 GFADRO COCC[C@]1([NH2+]CC(=O)N[C@H](C)c2ccc(Cl)c(Cl)c2)CCOC1 ZINC000573057074 564621179 /nfs/dbraw/zinc/62/11/79/564621179.db2.gz JXWNTLCDTZBYST-PXAZEXFGSA-N 1 0 375.296 2.956 20 0 GFADRO C[C@@H](NC(=O)[C@]1(C)CCC[NH2+]1)c1nc(-c2ccc(Br)cc2)no1 ZINC000573083233 564622858 /nfs/dbraw/zinc/62/28/58/564622858.db2.gz UPWKMQODJDDZKJ-HWPZZCPQSA-N 1 0 379.258 2.818 20 0 GFADRO COCCO[C@@H]1COCC[C@H]1[NH2+][C@H](C)Cc1ccc(Br)cc1F ZINC000485694090 564623704 /nfs/dbraw/zinc/62/37/04/564623704.db2.gz JRPLXDPBDBCODR-CSMYWGQOSA-N 1 0 390.293 2.929 20 0 GFADRO COCCO[C@@H]1COCC[C@@H]1[NH2+][C@@H](C)Cc1ccc(Br)cc1F ZINC000485694089 564623849 /nfs/dbraw/zinc/62/38/49/564623849.db2.gz JRPLXDPBDBCODR-AFAVFJNCSA-N 1 0 390.293 2.929 20 0 GFADRO OC[C@]1([C@@H]([NH2+]Cc2ccc(I)cc2)C2CC2)CCCO1 ZINC000550502512 564625933 /nfs/dbraw/zinc/62/59/33/564625933.db2.gz JVYVPXJQRFCSBM-HOTGVXAUSA-N 1 0 387.261 2.701 20 0 GFADRO CCOC(=O)CN(C)C(=O)C[NH2+][C@H](CC)c1cc(F)cc(Br)c1 ZINC000485833240 564627070 /nfs/dbraw/zinc/62/70/70/564627070.db2.gz SKHNATYHAQIJFN-CQSZACIVSA-N 1 0 389.265 2.650 20 0 GFADRO CCOc1cc(CN2CC[NH2+]C[C@@H]2C(F)F)cc(Br)c1OC ZINC000521435984 564627629 /nfs/dbraw/zinc/62/76/29/564627629.db2.gz ILLNIQOQVKKZPD-GFCCVEGCSA-N 1 0 379.245 2.895 20 0 GFADRO CC[C@]1(C(=O)NCc2noc(-c3cccc(Br)c3)n2)CCC[NH2+]1 ZINC000573208001 564627926 /nfs/dbraw/zinc/62/79/26/564627926.db2.gz YXYLXXXCITYLHF-MRXNPFEDSA-N 1 0 379.258 2.648 20 0 GFADRO COc1cc(Cl)c(S(=O)(=O)N2CC3(C[C@H]2C)CC[NH2+]CC3)cc1OC ZINC000573235510 564629396 /nfs/dbraw/zinc/62/93/96/564629396.db2.gz VNCCTJQUTCWNSS-GFCCVEGCSA-N 1 0 388.917 2.510 20 0 GFADRO O[C@H](C[NH2+][C@@H]1COc2ccccc2C1)COc1ccccc1Br ZINC000550700571 564629697 /nfs/dbraw/zinc/62/96/97/564629697.db2.gz XDNGGPMUPXLUBV-LSDHHAIUSA-N 1 0 378.266 2.782 20 0 GFADRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)c2nn(C)cc2Br)C1 ZINC000550766967 564630628 /nfs/dbraw/zinc/63/06/28/564630628.db2.gz IKOQGNQDJNXJLY-KBPBESRZSA-N 1 0 383.334 2.909 20 0 GFADRO OC[C@@H]1CCC[N@@H+]1Cc1ccccc1CNc1ccncc1Br ZINC000550787624 564630782 /nfs/dbraw/zinc/63/07/82/564630782.db2.gz LAMRCAUJWXIVPY-INIZCTEOSA-N 1 0 376.298 2.835 20 0 GFADRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)Cc1csc(NC(=O)c2cccs2)n1 ZINC000521606938 564631638 /nfs/dbraw/zinc/63/16/38/564631638.db2.gz MUPZQYNOCUFPBV-CYBMUJFWSA-N 1 0 378.523 2.552 20 0 GFADRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)[C@@H]1CC(=O)Nc2ccc(Br)cc21 ZINC000485932250 564631709 /nfs/dbraw/zinc/63/17/09/564631709.db2.gz YJCVTAFSKIUQLU-DJSGYFEHSA-N 1 0 394.313 2.674 20 0 GFADRO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)C(=O)NCc1cccc(Cl)c1Cl ZINC000550817112 564632641 /nfs/dbraw/zinc/63/26/41/564632641.db2.gz ORYWMYCBQSOATI-STQMWFEESA-N 1 0 386.323 2.989 20 0 GFADRO CCC[C@H](C)[C@H](CO)[NH2+]CC(=O)Nc1cccc(I)c1 ZINC000573328686 564633869 /nfs/dbraw/zinc/63/38/69/564633869.db2.gz VBBFOBMGZRUPQJ-FZMZJTMJSA-N 1 0 390.265 2.616 20 0 GFADRO O=C(Nc1ccc(I)cc1F)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000521669377 564634106 /nfs/dbraw/zinc/63/41/06/564634106.db2.gz UNRMYPDZHZXNBQ-MNOVXSKESA-N 1 0 389.212 2.789 20 0 GFADRO COCC[N@@H+]1CC[C@@H](NC(=O)[C@H](Oc2ccccc2Br)C(C)C)C1 ZINC000521676953 564634248 /nfs/dbraw/zinc/63/42/48/564634248.db2.gz JROXXJQSXVJHJS-RHSMWYFYSA-N 1 0 399.329 2.689 20 0 GFADRO CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+][C@H]2CC(=O)N(c3ccc(Cl)c(F)c3)C2)C1 ZINC000550938435 564634345 /nfs/dbraw/zinc/63/43/45/564634345.db2.gz VUAUWSJOTYPBDO-SGMGOOAPSA-N 1 0 388.892 2.530 20 0 GFADRO CN(CCNC(=O)[C@@H]1C[N@@H+](C(C)(C)C)C[C@H]1C(F)(F)F)CC(F)(F)F ZINC000551035290 564636137 /nfs/dbraw/zinc/63/61/37/564636137.db2.gz SHKGKMJMQDGUAM-GHMZBOCLSA-N 1 0 377.373 2.506 20 0 GFADRO [NH3+]CCCOC1CCN([C@@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)CC1 ZINC000573445086 564638544 /nfs/dbraw/zinc/63/85/44/564638544.db2.gz OUXSGLPQVQYIHA-QGZVFWFLSA-N 1 0 386.323 2.929 20 0 GFADRO COCCO[C@@H]1COCC[C@H]1[NH2+][C@@H]1CCc2c1cc(Br)cc2F ZINC000486086632 564638693 /nfs/dbraw/zinc/63/86/93/564638693.db2.gz LESHCBKDTUDQJH-BRWVUGGUSA-N 1 0 388.277 2.986 20 0 GFADRO O=C(NCc1cccc(Cl)c1Cl)C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000573630002 564647068 /nfs/dbraw/zinc/64/70/68/564647068.db2.gz NSFONVDXQVIVGZ-AWEZNQCLSA-N 1 0 384.307 2.743 20 0 GFADRO COCCCS(=O)(=O)NCC[NH2+][C@@H](c1ccc(Cl)cc1F)C(C)C ZINC000573636098 564647886 /nfs/dbraw/zinc/64/78/86/564647886.db2.gz FXPLOXYXQLCIBP-MRXNPFEDSA-N 1 0 380.913 2.722 20 0 GFADRO COc1cccc(N2C[C@H]([NH2+]Cc3ccc(Br)cn3)CC2=O)c1 ZINC000522248110 564648348 /nfs/dbraw/zinc/64/83/48/564648348.db2.gz UPPFWRIZJKFJRY-CQSZACIVSA-N 1 0 376.254 2.748 20 0 GFADRO O[C@@H](C[NH2+]C[C@@H](O)Cc1cccc(F)c1)COc1cccc(Br)c1 ZINC000573683733 564649609 /nfs/dbraw/zinc/64/96/09/564649609.db2.gz FUPXUGGWKSKFLU-IRXDYDNUSA-N 1 0 398.272 2.521 20 0 GFADRO Cn1ccnc1[C@H]([NH2+]C[C@H](O)COc1cc(F)cc(Br)c1)C1CC1 ZINC000573714194 564650578 /nfs/dbraw/zinc/65/05/78/564650578.db2.gz OJEGRMQKOUHDFV-GOEBONIOSA-N 1 0 398.276 2.802 20 0 GFADRO C[C@@H](Sc1cc(Cl)ccc1Cl)C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000573719214 564650700 /nfs/dbraw/zinc/65/07/00/564650700.db2.gz ZFCMXXWLYCSPIH-TZMCWYRMSA-N 1 0 388.364 2.980 20 0 GFADRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)c1cc(F)ccc1I ZINC000522383532 564651013 /nfs/dbraw/zinc/65/10/13/564651013.db2.gz AMRYQNJNTZLFJG-NSHDSACASA-N 1 0 390.240 2.844 20 0 GFADRO C[N@H+](CCCCNC(=O)c1cc(Br)c2c(c1)OCCO2)C1CC1 ZINC000457197051 564651138 /nfs/dbraw/zinc/65/11/38/564651138.db2.gz IHHAULMWBASXOW-UHFFFAOYSA-N 1 0 383.286 2.825 20 0 GFADRO CCC[C@@H]1CN(S(=O)(=O)c2cc(Cl)ccc2F)CCN1CCOC ZINC000551512328 564652692 /nfs/dbraw/zinc/65/26/92/564652692.db2.gz DYJSHIBSAAZCSU-CQSZACIVSA-N 1 0 378.897 2.601 20 0 GFADRO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)Nc1cc(Br)cnc1OCC(F)(F)F ZINC000486456535 564653415 /nfs/dbraw/zinc/65/34/15/564653415.db2.gz DNTKKWPEGMFFKR-WPRPVWTQSA-N 1 0 396.207 2.921 20 0 GFADRO CC(C)[NH2+]CCCNC(=O)N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000573786152 564654390 /nfs/dbraw/zinc/65/43/90/564654390.db2.gz BQXUMFOKZLLUTE-OAHLLOKOSA-N 1 0 387.311 2.786 20 0 GFADRO COC(=O)c1ccc(C[NH2+]CCOc2ncccc2F)c(Br)c1 ZINC000551555003 564654632 /nfs/dbraw/zinc/65/46/32/564654632.db2.gz QLHWRCRXPZZJFN-UHFFFAOYSA-N 1 0 383.217 2.938 20 0 GFADRO COC(=O)C[C@@H]1CSCCN1Cc1cccc(I)c1 ZINC000551558241 564654915 /nfs/dbraw/zinc/65/49/15/564654915.db2.gz KLZOKOMRPRZLLK-CYBMUJFWSA-N 1 0 391.274 2.772 20 0 GFADRO COc1cc(F)c(Br)cc1S(=O)(=O)N[C@](C)(C[NH3+])CC(C)C ZINC000573817445 564655381 /nfs/dbraw/zinc/65/53/81/564655381.db2.gz MLWKVJJMYWOXAM-AWEZNQCLSA-N 1 0 397.310 2.639 20 0 GFADRO [NH3+]C[C@H](NC(=O)Cc1csc(NC(=O)c2cccs2)n1)C1CCCC1 ZINC000573843867 564656240 /nfs/dbraw/zinc/65/62/40/564656240.db2.gz BEWGNWUKTBNHHF-ZDUSSCGKSA-N 1 0 378.523 2.633 20 0 GFADRO C[NH+]1CCN(C[C@@H](NC(=O)c2ccoc2Br)c2ccccc2)CC1 ZINC000573862726 564657964 /nfs/dbraw/zinc/65/79/64/564657964.db2.gz LXFKWSJDXZBTIE-MRXNPFEDSA-N 1 0 392.297 2.761 20 0 GFADRO CN(C)S(=O)(=O)N1CCCC[C@H]1C[NH2+][C@H]1CCCc2ccc(Cl)cc21 ZINC000573878510 564658136 /nfs/dbraw/zinc/65/81/36/564658136.db2.gz IEQQRVJASLRDSK-WMZOPIPTSA-N 1 0 385.961 2.968 20 0 GFADRO C[C@H]1CCN(C(=O)c2ccn(-c3cccc(Br)c3)n2)[C@@H](C)[C@H]1[NH3+] ZINC000457366002 564658376 /nfs/dbraw/zinc/65/83/76/564658376.db2.gz TYTOSCHQUUGKKW-MKBNYLNASA-N 1 0 377.286 2.833 20 0 GFADRO Cc1cc(C[NH3+])cc(NC(=O)c2sccc2S(=O)(=O)N2CCCC2)c1 ZINC000457364304 564658440 /nfs/dbraw/zinc/65/84/40/564658440.db2.gz AZEZPCRJKDTWKO-UHFFFAOYSA-N 1 0 379.507 2.552 20 0 GFADRO Ic1cccc(OCCC[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000573920304 564659772 /nfs/dbraw/zinc/65/97/72/564659772.db2.gz KRLVUFNYGVXXAE-KGLIPLIRSA-N 1 0 386.277 2.601 20 0 GFADRO C[NH+](C)C[C@@H](CNC(=O)C1CN(CC(F)(F)F)C1)c1ccc(Cl)cc1 ZINC000573927122 564660612 /nfs/dbraw/zinc/66/06/12/564660612.db2.gz LEHOAPQTAWRWTO-CYBMUJFWSA-N 1 0 377.838 2.596 20 0 GFADRO O=C(COc1ccc(Cl)cc1Cl)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000573953154 564661632 /nfs/dbraw/zinc/66/16/32/564661632.db2.gz LCPFYKBWIWQSGS-UHFFFAOYSA-N 1 0 386.323 2.705 20 0 GFADRO C[C@H](NC(=O)N[C@H]1CCC[N@H+](CCCO)C1)c1ccccc1Br ZINC000457447854 564661811 /nfs/dbraw/zinc/66/18/11/564661811.db2.gz DUQICDVDXBONKA-KBPBESRZSA-N 1 0 384.318 2.656 20 0 GFADRO C[N@@H+]1CC[C@H]2CCN(S(=O)(=O)c3ccc(Br)cc3Cl)[C@H]2C1 ZINC000486670807 564661943 /nfs/dbraw/zinc/66/19/43/564661943.db2.gz MJYZNVQTCHAPME-GWCFXTLKSA-N 1 0 393.734 2.817 20 0 GFADRO C[C@H](CNC(=O)c1cn(Cc2ccc(Cl)cc2Cl)nn1)[N@H+](C)C1CC1 ZINC000457512167 564663471 /nfs/dbraw/zinc/66/34/71/564663471.db2.gz HLJBNZVZMIEEFN-LLVKDONJSA-N 1 0 382.295 2.846 20 0 GFADRO C[C@@H](NC(=O)NCCC[N@@H+]1CCCC[C@@H]1C)c1ncc(Br)cn1 ZINC000457497523 564663491 /nfs/dbraw/zinc/66/34/91/564663491.db2.gz FOBWHWLJNFEEJD-QWHCGFSZSA-N 1 0 384.322 2.864 20 0 GFADRO Cc1cc(S(=O)(=O)N2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)c(Cl)cc1F ZINC000574025715 564665507 /nfs/dbraw/zinc/66/55/07/564665507.db2.gz BRLMQXJQGSIREN-XJKSGUPXSA-N 1 0 390.908 2.695 20 0 GFADRO C[NH+](C)CCN(CC(=O)OC(C)(C)C)C(=O)c1ccc(Br)s1 ZINC000523392068 564665731 /nfs/dbraw/zinc/66/57/31/564665731.db2.gz NETOGAAAZFVKNK-UHFFFAOYSA-N 1 0 391.331 2.856 20 0 GFADRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)NCc2n[nH]cc2Br)C1 ZINC000523384616 564665958 /nfs/dbraw/zinc/66/59/58/564665958.db2.gz HDRJUHLRXHJZCR-TZMCWYRMSA-N 1 0 392.301 2.807 20 0 GFADRO CCO[C@H](CC)C(=O)Nc1cc(Br)ccc1N1CC[NH+](C)CC1 ZINC000574050294 564666311 /nfs/dbraw/zinc/66/63/11/564666311.db2.gz DPRRDTMSMJIVCO-MRXNPFEDSA-N 1 0 384.318 2.955 20 0 GFADRO CNC(=O)[C@H]1CCC[C@@H]1[NH2+]Cc1ccnc(-c2ccc(Br)cc2)n1 ZINC000551898670 564666956 /nfs/dbraw/zinc/66/69/56/564666956.db2.gz HJPUWPLCYBBOSZ-HOTGVXAUSA-N 1 0 389.297 2.910 20 0 GFADRO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCO[C@H](c2ccc(Br)cc2)[C@@H]1C ZINC000486805759 564667014 /nfs/dbraw/zinc/66/70/14/564667014.db2.gz YFWDVSNTJPDGHV-OQUILHJVSA-N 1 0 381.314 2.935 20 0 GFADRO Cc1onc(-c2ccc(Cl)cc2Cl)c1C(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000574116129 564668877 /nfs/dbraw/zinc/66/88/77/564668877.db2.gz BWUYBJFEZNLOEA-QGZVFWFLSA-N 1 0 384.263 2.753 20 0 GFADRO C[N@@H+]1CCN(C(=O)[C@@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)C(C)(C)C1 ZINC000486886044 564670123 /nfs/dbraw/zinc/67/01/23/564670123.db2.gz LYDXYRCRJRDMMJ-CYBMUJFWSA-N 1 0 384.307 2.899 20 0 GFADRO Cc1cc(C)c(NC(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)cc1Br ZINC000574393347 564671622 /nfs/dbraw/zinc/67/16/22/564671622.db2.gz UYXWROCPQFVSJP-DZGCQCFKSA-N 1 0 392.301 2.758 20 0 GFADRO C[N@H+](CCNC(=O)CSc1nnc(-c2cccs2)n1C1CC1)C1CC1 ZINC000486955316 564671995 /nfs/dbraw/zinc/67/19/95/564671995.db2.gz NTTXCWXOSJWJJX-UHFFFAOYSA-N 1 0 377.539 2.644 20 0 GFADRO CC(=O)c1cc(Br)ccc1OCC(=O)N1CCCC[C@H]1C[NH+](C)C ZINC000552001718 564672719 /nfs/dbraw/zinc/67/27/19/564672719.db2.gz LDFUDRNIEBVFDF-HNNXBMFYSA-N 1 0 397.313 2.973 20 0 GFADRO Cn1nccc1[C@H]1[C@H](CNC(=O)c2cc(Br)co2)CCC[N@@H+]1C ZINC000457785568 564672974 /nfs/dbraw/zinc/67/29/74/564672974.db2.gz FTYIYURHBFUHQT-XHDPSFHLSA-N 1 0 381.274 2.589 20 0 GFADRO CC[NH+](CC)CC[C@H](CO)NC(=O)[C@H](C)Oc1ccc(Cl)c(Cl)c1 ZINC000552024011 564673782 /nfs/dbraw/zinc/67/37/82/564673782.db2.gz QBXIHQKIZXLVES-QWHCGFSZSA-N 1 0 377.312 2.970 20 0 GFADRO O=C(CCCOc1cccc(Cl)c1Cl)NC[C@@]1(O)C[NH+]2CCC1CC2 ZINC000552028286 564674381 /nfs/dbraw/zinc/67/43/81/564674381.db2.gz TUNFSLUJNRDCCV-GOSISDBHSA-N 1 0 387.307 2.725 20 0 GFADRO COc1c(Cl)cc(NC(=O)C(=O)NC[C@H]2CC[N@@H+](C(C)C)C2)cc1Cl ZINC000523957752 564675092 /nfs/dbraw/zinc/67/50/92/564675092.db2.gz JBWKTFPEJDVBQH-LLVKDONJSA-N 1 0 388.295 2.787 20 0 GFADRO O=C(c1cnn(-c2cccc(Br)c2)c1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000574512513 564676884 /nfs/dbraw/zinc/67/68/84/564676884.db2.gz UFUJGEITTQSOJD-SFHVURJKSA-N 1 0 389.297 2.851 20 0 GFADRO C[NH+](C)CCOc1cnccc1CNC(=O)c1cc(F)ccc1Br ZINC000574555697 564678773 /nfs/dbraw/zinc/67/87/73/564678773.db2.gz YJWYYRWTXFADDW-UHFFFAOYSA-N 1 0 396.260 2.854 20 0 GFADRO OC[C@@]1([C@@H]([NH2+]Cc2cc(Br)cc3c2OCC3)C2CC2)CCCO1 ZINC000552147102 564679259 /nfs/dbraw/zinc/67/92/59/564679259.db2.gz LTZVRYZBJNTQGW-ZWKOTPCHSA-N 1 0 382.298 2.794 20 0 GFADRO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)C(=O)c3ccc(C(N)=O)s3)C2)s1 ZINC000552135816 564679273 /nfs/dbraw/zinc/67/92/73/564679273.db2.gz ZUHWPRSRXNDSIT-ZDUSSCGKSA-N 1 0 377.535 2.811 20 0 GFADRO Cc1ccoc1C(=O)NCCC[NH2+]Cc1cn2ccc(Br)cc2n1 ZINC000574560797 564679317 /nfs/dbraw/zinc/67/93/17/564679317.db2.gz QEPJJALXXPSDFF-UHFFFAOYSA-N 1 0 391.269 2.908 20 0 GFADRO O=C(NC[C@@H]1CCC[N@H+]1CCCO)N[C@H]1CCc2cc(Br)ccc21 ZINC000457935268 564680607 /nfs/dbraw/zinc/68/06/07/564680607.db2.gz DVAJNRHTIAEQIX-RDJZCZTQSA-N 1 0 396.329 2.582 20 0 GFADRO CC[NH+](CC)CCSCC(=O)Nc1ccc(Cl)c(S(C)(=O)=O)c1 ZINC000487299052 564681722 /nfs/dbraw/zinc/68/17/22/564681722.db2.gz LRLFGRPRYFSPOM-UHFFFAOYSA-N 1 0 378.947 2.757 20 0 GFADRO CC1(NS(=O)(=O)Cc2cc(Cl)ccc2Br)CC[NH2+]CC1 ZINC000574637553 564682898 /nfs/dbraw/zinc/68/28/98/564682898.db2.gz OUENNXZFHLEYCJ-UHFFFAOYSA-N 1 0 381.723 2.664 20 0 GFADRO CC1(C)C[C@@H]([NH2+]CCS(=O)(=O)c2cccc(Br)c2)CCO1 ZINC000574685039 564684714 /nfs/dbraw/zinc/68/47/14/564684714.db2.gz YECGIOSKSBVDMI-ZDUSSCGKSA-N 1 0 376.316 2.770 20 0 GFADRO COc1cc(NC(=O)CC[NH2+]CCc2nnc(C)s2)c(OC)cc1Cl ZINC000574686442 564684766 /nfs/dbraw/zinc/68/47/66/564684766.db2.gz WYSCDBUAOUOMGJ-UHFFFAOYSA-N 1 0 384.889 2.678 20 0 GFADRO C[C@H]1CCN(C(=O)CCNc2ncc(C(F)(F)F)cc2Cl)C[C@@H]1C[NH3+] ZINC000574690700 564684863 /nfs/dbraw/zinc/68/48/63/564684863.db2.gz KDGFSWKKFKCYMI-QWRGUYRKSA-N 1 0 378.826 2.999 20 0 GFADRO O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)N(CCO)Cc1cccc(Br)c1 ZINC000487375954 564685271 /nfs/dbraw/zinc/68/52/71/564685271.db2.gz KGJSCGHMEXGICL-DLBZAZTESA-N 1 0 396.329 2.580 20 0 GFADRO CCS(=O)(=O)NCCC[NH2+]C(C)(C)c1ccc(Br)c(C)c1 ZINC000574729918 564686207 /nfs/dbraw/zinc/68/62/07/564686207.db2.gz WEOAKGSRBYNLEL-UHFFFAOYSA-N 1 0 377.348 2.912 20 0 GFADRO CC[NH+](CC)[C@@H](CNC(=O)NCc1nn(C)cc1Br)c1ccco1 ZINC000458083744 564686974 /nfs/dbraw/zinc/68/69/74/564686974.db2.gz YDDRWIJSCUOJJB-AWEZNQCLSA-N 1 0 398.305 2.658 20 0 GFADRO O=S(=O)(c1cccc(Br)c1F)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000574940279 564688720 /nfs/dbraw/zinc/68/87/20/564688720.db2.gz BYWSYRQTVVSTAZ-GFCCVEGCSA-N 1 0 391.306 2.837 20 0 GFADRO C[C@H]1CN(C(=O)c2cscc2Br)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000552404975 564690031 /nfs/dbraw/zinc/69/00/31/564690031.db2.gz UOMGJWBBAFTVCJ-WFASDCNBSA-N 1 0 386.359 2.609 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)c(C)c1C(=O)N1CCC[NH2+]CC1 ZINC000575046604 564691892 /nfs/dbraw/zinc/69/18/92/564691892.db2.gz XDBWLWSMRYWPOF-UHFFFAOYSA-N 1 0 377.286 2.687 20 0 GFADRO CC[N@H+](CCNC(=O)C(=O)N[C@@H]1CCSc2ccc(Cl)cc21)C1CC1 ZINC000552477408 564693218 /nfs/dbraw/zinc/69/32/18/564693218.db2.gz JPKHQAUCAHOQFH-OAHLLOKOSA-N 1 0 381.929 2.594 20 0 GFADRO C[NH+](C)CCN(Cc1ccsc1)C(=O)c1c[nH]c(=O)c(Br)c1 ZINC000458199509 564693327 /nfs/dbraw/zinc/69/33/27/564693327.db2.gz JGCZZUVPSAYQIX-UHFFFAOYSA-N 1 0 384.299 2.815 20 0 GFADRO Cc1nc2ccc(Br)cn2c1C(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000458218088 564694647 /nfs/dbraw/zinc/69/46/47/564694647.db2.gz NUZFBSMSYHBACX-ZDUSSCGKSA-N 1 0 379.302 2.867 20 0 GFADRO C[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000552524132 564694802 /nfs/dbraw/zinc/69/48/02/564694802.db2.gz ZFWZIMBVRBBQRM-JMSVASOKSA-N 1 0 386.323 2.640 20 0 GFADRO C[C@@H]1CN(C(=O)N[C@@H]2CCc3c2cccc3Br)C[C@H](C)[N@H+]1CCO ZINC000458263953 564696593 /nfs/dbraw/zinc/69/65/93/564696593.db2.gz CSCICCYHVZGLSB-IIYDPXPESA-N 1 0 396.329 2.533 20 0 GFADRO CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)Nc2nccc(Br)c2C)C1 ZINC000575352756 564697445 /nfs/dbraw/zinc/69/74/45/564697445.db2.gz IOLVYIYQRKAYBR-KBPBESRZSA-N 1 0 397.317 2.870 20 0 GFADRO C[NH+](C)C1(CNC(=O)N[C@@H](CO)c2cccc(Br)c2)CCCC1 ZINC000487902436 564698841 /nfs/dbraw/zinc/69/88/41/564698841.db2.gz YWOFUDNGFAOZLO-HNNXBMFYSA-N 1 0 384.318 2.656 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2cc(Cl)ccc2C(=O)OC)C[C@@H]1C ZINC000525385736 564700043 /nfs/dbraw/zinc/70/00/43/564700043.db2.gz IVXCRLGNIVQNTH-JSGCOSHPSA-N 1 0 388.917 2.620 20 0 GFADRO CO[C@@H]1C[N@H+](Cc2ccnc(-c3ccc(Br)cc3)n2)C[C@@H]1OC ZINC000487997576 564701626 /nfs/dbraw/zinc/70/16/26/564701626.db2.gz FZGVVMWNOYKPKG-IYBDPMFKSA-N 1 0 378.270 2.752 20 0 GFADRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)NCc2nc3c(cccc3Br)[nH]2)C1 ZINC000458509410 564704656 /nfs/dbraw/zinc/70/46/56/564704656.db2.gz PFYVXISWJAYISM-RYUDHWBXSA-N 1 0 394.317 2.997 20 0 GFADRO CSC[C@H](O)C[NH2+]C[C@@H](c1c(F)cccc1Cl)N1CCO[C@H](C)C1 ZINC000576029235 564704698 /nfs/dbraw/zinc/70/46/98/564704698.db2.gz ZPMOVQDPLLCQCV-IOASZLSFSA-N 1 0 376.925 2.554 20 0 GFADRO CSC1(C[NH2+]CCNS(=O)(=O)c2cc(C)ccc2Br)CC1 ZINC000576021140 564704965 /nfs/dbraw/zinc/70/49/65/564704965.db2.gz SMGJKCOXMUEFJU-UHFFFAOYSA-N 1 0 393.372 2.521 20 0 GFADRO CN(CCC[NH+](C)C)C(=O)C(=O)NCC(C)(C)c1ccc(Cl)c(Cl)c1 ZINC000552961181 564705125 /nfs/dbraw/zinc/70/51/25/564705125.db2.gz SRRGMRIOGHSXFQ-UHFFFAOYSA-N 1 0 388.339 2.797 20 0 GFADRO CCN1CCN(C(=O)c2nn(-c3ccc(F)cc3)cc2Br)[C@H](C)C1 ZINC000553000782 564706013 /nfs/dbraw/zinc/70/60/13/564706013.db2.gz ZUYRQZRWXMACDW-GFCCVEGCSA-N 1 0 395.276 2.940 20 0 GFADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@H]1COc2c1ccc(Cl)c2Cl ZINC000525771637 564708281 /nfs/dbraw/zinc/70/82/81/564708281.db2.gz BAIAOLRAGHFJQA-RISCZKNCSA-N 1 0 388.295 2.837 20 0 GFADRO Cc1nccc(NC(=O)NCc2ccc(C[NH+](C)C)cc2)c1Br ZINC000525848350 564710329 /nfs/dbraw/zinc/71/03/29/564710329.db2.gz YWHHJEZQQRBFSV-UHFFFAOYSA-N 1 0 377.286 2.958 20 0 GFADRO O=C(Cc1ccc(I)cc1)NCC[NH+]1CCCCCC1 ZINC000488395252 564711167 /nfs/dbraw/zinc/71/11/67/564711167.db2.gz JLUVANUSTWFMKM-UHFFFAOYSA-N 1 0 386.277 2.826 20 0 GFADRO CSc1nnc(CNC(=O)N2CCN(Cc3cccc(Cl)c3)CC2)s1 ZINC000525859696 564711279 /nfs/dbraw/zinc/71/12/79/564711279.db2.gz WKOMOYCLWIXXFU-UHFFFAOYSA-N 1 0 397.957 2.941 20 0 GFADRO O=c1cc(C[NH+]2CCC([C@@H]3CCCO3)CC2)nc2ccc(Br)cn12 ZINC000525882736 564711773 /nfs/dbraw/zinc/71/17/73/564711773.db2.gz ADQNLNWLEDBKSO-INIZCTEOSA-N 1 0 392.297 2.848 20 0 GFADRO COc1cc(Br)ccc1CNC(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000488495735 564712952 /nfs/dbraw/zinc/71/29/52/564712952.db2.gz JBCRMVOTNHLAST-CABCVRRESA-N 1 0 382.302 2.884 20 0 GFADRO COCC1(CNC(=O)N[C@@H]2C[C@H]2c2ccc(Br)cc2)CC[NH2+]CC1 ZINC000576451234 564713558 /nfs/dbraw/zinc/71/35/58/564713558.db2.gz QZKDXUGNJGJWQQ-JKSUJKDBSA-N 1 0 396.329 2.620 20 0 GFADRO COC[C@](C)(O)C[NH2+][C@H](C)CCc1ccc(I)cc1 ZINC000525985966 564715597 /nfs/dbraw/zinc/71/55/97/564715597.db2.gz SHWUHTOVHZDJLS-IUODEOHRSA-N 1 0 377.266 2.599 20 0 GFADRO O=C(NC[C@@H]1CCC[N@H+]1CCCO)NCC(F)(F)c1ccc(Cl)cc1 ZINC000458762193 564717162 /nfs/dbraw/zinc/71/71/62/564717162.db2.gz QHMNSUXKNGXGRN-HNNXBMFYSA-N 1 0 375.847 2.578 20 0 GFADRO O=C(NC[C@@H]1CCCC[N@H+]1CCO)NCC(F)(F)c1ccc(Cl)cc1 ZINC000458765948 564718160 /nfs/dbraw/zinc/71/81/60/564718160.db2.gz UHASXPLOTZHRPG-HNNXBMFYSA-N 1 0 375.847 2.578 20 0 GFADRO CCN(CCC[NH+](C)C)C(=O)c1cc(I)c(F)cc1F ZINC000526067589 564719045 /nfs/dbraw/zinc/71/90/45/564719045.db2.gz HNQMVSWYPIIQME-UHFFFAOYSA-N 1 0 396.219 2.983 20 0 GFADRO C[N@@H+]1CC[C@]2(CCN(c3ncnc4cccc(I)c43)C2)C1 ZINC000488752559 564719251 /nfs/dbraw/zinc/71/92/51/564719251.db2.gz YFZATTVSACZZPE-INIZCTEOSA-N 1 0 394.260 2.766 20 0 GFADRO C[C@@H]1[C@H](CO)CC[N@@H+]1C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000488772204 564720161 /nfs/dbraw/zinc/72/01/61/564720161.db2.gz TUFCUBAKEKIBMM-NTZNESFSSA-N 1 0 378.694 2.545 20 0 GFADRO C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1NC(=O)c1cnn(-c2ccc(Br)cc2)c1 ZINC000576816273 564720882 /nfs/dbraw/zinc/72/08/82/564720882.db2.gz UAQVJJOKBNGZRW-BFQNTYOBSA-N 1 0 377.286 2.751 20 0 GFADRO CC(C)[N@@H+]1CCCN(C(=O)Cc2ccc(I)cc2)CC1 ZINC000488840458 564721725 /nfs/dbraw/zinc/72/17/25/564721725.db2.gz HLQNRRJIUVCMMZ-UHFFFAOYSA-N 1 0 386.277 2.776 20 0 GFADRO C[C@@H](CNS(=O)(=O)c1cc(Br)c(F)cc1F)C[NH+]1CCCC1 ZINC000488885105 564723092 /nfs/dbraw/zinc/72/30/92/564723092.db2.gz LJEVDOYMLDYDQP-JTQLQIEISA-N 1 0 397.285 2.738 20 0 GFADRO Cc1nc(CNC(=O)NCC[C@H]2CCC[N@@H+](C)C2)sc1Br ZINC000458923405 564723955 /nfs/dbraw/zinc/72/39/55/564723955.db2.gz IVIOATVQRTVDMD-LLVKDONJSA-N 1 0 375.336 2.745 20 0 GFADRO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCc1nc(C)c(Br)s1 ZINC000458922638 564723965 /nfs/dbraw/zinc/72/39/65/564723965.db2.gz IJINRDVPKUFVEV-NEPJUHHUSA-N 1 0 387.347 2.982 20 0 GFADRO O=C(Cc1ccc(I)cc1)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000489141646 564731744 /nfs/dbraw/zinc/73/17/44/564731744.db2.gz PALKGGLTECUUST-CABCVRRESA-N 1 0 384.261 2.577 20 0 GFADRO O=C(c1ncsc1C(F)(F)F)N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000527166539 564732721 /nfs/dbraw/zinc/73/27/21/564732721.db2.gz STWKBQLVYGAERS-GFCCVEGCSA-N 1 0 377.432 2.879 20 0 GFADRO O=C(NCCNc1cc[nH+]cc1)N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1 ZINC000527172273 564732941 /nfs/dbraw/zinc/73/29/41/564732941.db2.gz JGMUFMMYEKKNMY-XJKSGUPXSA-N 1 0 393.260 2.672 20 0 GFADRO O=C(N[C@H](c1cncc(Br)c1)C1CC1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000577304192 564733187 /nfs/dbraw/zinc/73/31/87/564733187.db2.gz XPXCMQHLMVHXOA-HOCLYGCPSA-N 1 0 379.302 2.831 20 0 GFADRO CN(C)CC[N@H+](C)CCCN(C)C(=O)NCCc1cccc(Br)c1 ZINC000459155190 564733607 /nfs/dbraw/zinc/73/36/07/564733607.db2.gz VCBLJNFDDGOVAM-UHFFFAOYSA-N 1 0 399.377 2.517 20 0 GFADRO Cc1ccc(Br)c(NC(=O)C(=O)N[C@H](C)C[NH+]2CCC(C)CC2)c1 ZINC000577866940 564738161 /nfs/dbraw/zinc/73/81/61/564738161.db2.gz JQNVSLYSUXOVHT-CQSZACIVSA-N 1 0 396.329 2.933 20 0 GFADRO C[N@@H+]1CCC[C@H](CCNC(=O)N[C@H](CCO)c2ccccc2Br)C1 ZINC000459293941 564738685 /nfs/dbraw/zinc/73/86/85/564738685.db2.gz INILXDMJRSDRGY-RHSMWYFYSA-N 1 0 398.345 2.904 20 0 GFADRO CC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2c(F)cccc2OC(F)(F)F)C1 ZINC000553839723 564739357 /nfs/dbraw/zinc/73/93/57/564739357.db2.gz VDOGEODRSYYAAK-NSHDSACASA-N 1 0 384.395 2.687 20 0 GFADRO C[N@@H+]1CC[C@H](CNC(=O)[C@H](N)c2cscn2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000578063086 564740267 /nfs/dbraw/zinc/74/02/67/564740267.db2.gz ZHLHOWXDMBCDBP-HFBAOOFYSA-N 1 0 382.892 2.745 20 0 GFADRO [NH3+]C[C@@H]1CCCC[C@]12NC(=O)N(Cc1csc(-c3ccsc3)n1)C2=O ZINC000578068339 564740393 /nfs/dbraw/zinc/74/03/93/564740393.db2.gz ZVKWERFFZJPLBA-SJCJKPOMSA-N 1 0 376.507 2.811 20 0 GFADRO O=C(CC[C@H]1CC[NH2+]C1)NCc1cc(Cl)cc(I)c1 ZINC000578354885 564743538 /nfs/dbraw/zinc/74/35/38/564743538.db2.gz KWAPFCXPLDGYBH-JTQLQIEISA-N 1 0 392.668 2.951 20 0 GFADRO Cc1cc(NC(=O)NC[C@H](CO)Cc2cc(F)cc(Br)c2)ccn1 ZINC000459488026 564746970 /nfs/dbraw/zinc/74/69/70/564746970.db2.gz VNBCZBKNVXOLKB-CYBMUJFWSA-N 1 0 396.260 2.686 20 0 GFADRO O=C(NC[C@@H]1C[NH2+]CCCO1)N1CCC(Sc2ccc(Cl)cc2)CC1 ZINC000579333726 564747275 /nfs/dbraw/zinc/74/72/75/564747275.db2.gz YRPZERRYMWGVIV-HNNXBMFYSA-N 1 0 383.945 2.985 20 0 GFADRO CN([C@@H](C[NH3+])C1CC1)S(=O)(=O)c1ccc2ccccc2c1Br ZINC000579354264 564747347 /nfs/dbraw/zinc/74/73/47/564747347.db2.gz WISDJOATTWXDNS-AWEZNQCLSA-N 1 0 383.311 2.960 20 0 GFADRO O=C(NCC(F)(F)F)[C@H]1CC[N@@H+](Cc2cccc(O)c2Br)C1 ZINC000459507582 564748703 /nfs/dbraw/zinc/74/87/03/564748703.db2.gz WGANORDCPVICRP-JTQLQIEISA-N 1 0 381.192 2.655 20 0 GFADRO [NH3+]CCC1CCN(C(=O)[C@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)CC1 ZINC000579607052 564749602 /nfs/dbraw/zinc/74/96/02/564749602.db2.gz IOPNWTFELKUQEY-CQSZACIVSA-N 1 0 384.307 2.934 20 0 GFADRO Cc1[nH]c(=O)c(Br)cc1C(=O)N1CC[N@@H+]([C@@H]2C[C@H]2C)C[C@H](C)C1 ZINC000554129076 564750977 /nfs/dbraw/zinc/75/09/77/564750977.db2.gz YTHSLYFGJHTAFT-FIXISWKDSA-N 1 0 382.302 2.660 20 0 GFADRO CCOC1CC([N@H+](C)C[C@@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000554285601 564755480 /nfs/dbraw/zinc/75/54/80/564755480.db2.gz OLEZRUZRBCYOLS-NPCAHTBFSA-N 1 0 376.266 2.827 20 0 GFADRO Cc1cc(C[NH2+]Cc2cnc(N3CCN(C)CC3)nc2)ccc1Br ZINC000459674424 564756491 /nfs/dbraw/zinc/75/64/91/564756491.db2.gz ZBDMQMUCZKOYHN-UHFFFAOYSA-N 1 0 390.329 2.589 20 0 GFADRO Cc1cc(Br)c(S(=O)(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)s1 ZINC000489974822 564758288 /nfs/dbraw/zinc/75/82/88/564758288.db2.gz AXEHJIJTNXOKSO-ZDUSSCGKSA-N 1 0 379.345 2.583 20 0 GFADRO COC[C@H](NC[C@H]1CCCCN1S(C)(=O)=O)c1cccc(Cl)c1F ZINC000554376437 564758278 /nfs/dbraw/zinc/75/82/78/564758278.db2.gz PROLDTOKSYSGHW-DOMZBBRYSA-N 1 0 378.897 2.570 20 0 GFADRO O=S(=O)(c1ccc(OC(F)F)c(Cl)c1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000489987491 564759097 /nfs/dbraw/zinc/75/90/97/564759097.db2.gz IEFFOLPILIGDBF-HNNXBMFYSA-N 1 0 380.844 2.706 20 0 GFADRO COC(=O)C1CCC([NH2+][C@@H]2CCO[C@H]2c2cncc(Br)c2)CC1 ZINC000459752871 564759924 /nfs/dbraw/zinc/75/99/24/564759924.db2.gz CGKVUAFHLAESLA-UCSXMVFBSA-N 1 0 383.286 2.996 20 0 GFADRO COc1ccc(C[NH2+][C@]2(CO)COc3ccccc3C2)c(Br)c1 ZINC000527771032 564760621 /nfs/dbraw/zinc/76/06/21/564760621.db2.gz ZNOILNHJRHVBPE-GOSISDBHSA-N 1 0 378.266 2.914 20 0 GFADRO C[NH+](C)CCNC(=O)c1ccc(NCc2cncc(Br)c2)cc1 ZINC000527766615 564760651 /nfs/dbraw/zinc/76/06/51/564760651.db2.gz CQYAHJISSXQUTF-UHFFFAOYSA-N 1 0 377.286 2.748 20 0 GFADRO FC(F)CN1CCC([NH2+][C@@H]2CCO[C@H]2c2cncc(Br)c2)CC1 ZINC000459767208 564761043 /nfs/dbraw/zinc/76/10/43/564761043.db2.gz PYMTZBNVAJXGPI-ZBFHGGJFSA-N 1 0 390.272 2.993 20 0 GFADRO C[N@@H+]1CC[C@]2(CCN(C(=O)NCc3cc(Br)cc4c3OCC4)C2)C1 ZINC000490043399 564761526 /nfs/dbraw/zinc/76/15/26/564761526.db2.gz KNGQSYSCGQMKDO-SFHVURJKSA-N 1 0 394.313 2.621 20 0 GFADRO C[NH+]1CCN(c2ccc(NC(=O)c3cc(O)cc(Br)c3)cn2)CC1 ZINC000527781876 564761610 /nfs/dbraw/zinc/76/16/10/564761610.db2.gz SUCRDIBNKJTEBC-UHFFFAOYSA-N 1 0 391.269 2.554 20 0 GFADRO O=C1Nc2ccccc2C[C@H]1[NH2+]Cc1cc(Br)c2c(c1)OCCO2 ZINC000527797820 564761665 /nfs/dbraw/zinc/76/16/65/564761665.db2.gz FCIGCBJQVOQRFD-OAHLLOKOSA-N 1 0 389.249 2.873 20 0 GFADRO C[C@H]1CN(S(=O)(=O)Cc2ccc(Cl)cc2Br)[C@@H](C)C[NH2+]1 ZINC000580563161 564764950 /nfs/dbraw/zinc/76/49/50/564764950.db2.gz DDTQVRZSXHFURD-UWVGGRQHSA-N 1 0 381.723 2.615 20 0 GFADRO Cc1csc(-c2cccc(S(=O)(=O)NC[C@]3([NH+](C)C)CCSC3)c2)n1 ZINC000554534854 564765018 /nfs/dbraw/zinc/76/50/18/564765018.db2.gz YCTHVSBEKAZDLZ-QGZVFWFLSA-N 1 0 397.591 2.834 20 0 GFADRO C[C@@H]1[NH2+]CCN(S(=O)(=O)Cc2cc(Cl)ccc2Br)[C@H]1C ZINC000580564067 564765013 /nfs/dbraw/zinc/76/50/13/564765013.db2.gz KSJBCDNKPFHGFL-UWVGGRQHSA-N 1 0 381.723 2.615 20 0 GFADRO CC[NH+]1CCN(Cc2ccccc2CNC(=O)[C@@H]2C[C@@]2(C)Br)CC1 ZINC000527942645 564765076 /nfs/dbraw/zinc/76/50/76/564765076.db2.gz XFWJSDGYWPDBOZ-PKOBYXMFSA-N 1 0 394.357 2.614 20 0 GFADRO Cc1nc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)nc2)c(Br)s1 ZINC000459901428 564765113 /nfs/dbraw/zinc/76/51/13/564765113.db2.gz HGDZFMINWXVAPQ-UHFFFAOYSA-N 1 0 396.314 2.613 20 0 GFADRO CN(C)S(=O)(=O)c1cc(NC(=O)C[N@H+](C)C2(C)CCCC2)ccc1Cl ZINC000490233168 564766199 /nfs/dbraw/zinc/76/61/99/564766199.db2.gz AYXDOLJVBGFCLH-UHFFFAOYSA-N 1 0 387.933 2.793 20 0 GFADRO CC[NH+](CC)CC(=O)N(CCc1ccc(Cl)cc1)C[C@H](O)C(F)(F)F ZINC000580607388 564766660 /nfs/dbraw/zinc/76/66/60/564766660.db2.gz NROKRDAWMDZKOH-HNNXBMFYSA-N 1 0 380.838 2.976 20 0 GFADRO C[C@@H]1CC[N@H+](CC(=O)N2CCN(C(=O)c3cccc(Cl)c3Cl)CC2)C1 ZINC000554597316 564767268 /nfs/dbraw/zinc/76/72/68/564767268.db2.gz CFDMODOROVRXBW-CYBMUJFWSA-N 1 0 384.307 2.620 20 0 GFADRO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000460000969 564767765 /nfs/dbraw/zinc/76/77/65/564767765.db2.gz YLDOAPIIJFQRQS-CYBMUJFWSA-N 1 0 386.323 2.752 20 0 GFADRO CC[NH+](CC)CCNC(=O)CCOc1ccccc1I ZINC000490416903 564769756 /nfs/dbraw/zinc/76/97/56/564769756.db2.gz SHXSDQDNAPZXLI-UHFFFAOYSA-N 1 0 390.265 2.518 20 0 GFADRO O=C(NCC1=CC[NH2+]CC1)Nc1cnn(-c2ccccc2Br)c1 ZINC000580702708 564770468 /nfs/dbraw/zinc/77/04/68/564770468.db2.gz QGHBNZHYCXBGQS-UHFFFAOYSA-N 1 0 376.258 2.676 20 0 GFADRO C[N@@H+]1CC[C@@H](CNC(=O)c2scc(Br)c2Br)C1 ZINC000528120482 564770824 /nfs/dbraw/zinc/77/08/24/564770824.db2.gz WAPCKRCFSPUNDV-ZETCQYMHSA-N 1 0 382.121 2.955 20 0 GFADRO CC[NH+]1CCN(c2ccc(-c3noc([C@@H]4C[C@]4(C)Br)n3)cn2)CC1 ZINC000528123457 564771074 /nfs/dbraw/zinc/77/10/74/564771074.db2.gz BFDUGPOWTBNMHV-GUYCJALGSA-N 1 0 392.301 2.914 20 0 GFADRO C[C@H](C(=O)NCCCS(=O)(=O)c1ccc(Cl)cc1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000554708156 564771098 /nfs/dbraw/zinc/77/10/98/564771098.db2.gz WAGLGINWYUZSIF-QLFBSQMISA-N 1 0 386.945 2.881 20 0 GFADRO C[C@@H]1CN(S(=O)(=O)c2cccc(Br)c2)CC[N@@H+](C2CCC2)C1 ZINC000490448755 564771423 /nfs/dbraw/zinc/77/14/23/564771423.db2.gz XRFTYQURAPYBGC-ZDUSSCGKSA-N 1 0 387.343 2.944 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NCCCc1ccc(Cl)cc1Cl ZINC000554727226 564772060 /nfs/dbraw/zinc/77/20/60/564772060.db2.gz YNPFNJOMTBIXKP-OAHLLOKOSA-N 1 0 386.323 2.643 20 0 GFADRO [NH3+]C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)c1ccc(Cl)c(Cl)c1)C2=O ZINC000580771683 564773481 /nfs/dbraw/zinc/77/34/81/564773481.db2.gz JJULTNHCHSUDBX-GTNSWQLSSA-N 1 0 384.263 2.616 20 0 GFADRO CC(C)[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)N[C@H](C)C1=CC[N@H+](C)CC1 ZINC000554790971 564773507 /nfs/dbraw/zinc/77/35/07/564773507.db2.gz HHUMTCIMLNEHCD-MLGOLLRUSA-N 1 0 383.945 2.923 20 0 GFADRO CCC[N@H+](CCC(=O)Nc1cc(Cl)ccc1Cl)[C@@H]1CC(=O)N(C)C1=O ZINC000554841432 564774915 /nfs/dbraw/zinc/77/49/15/564774915.db2.gz HOFMJENFLCFWIB-CQSZACIVSA-N 1 0 386.279 2.791 20 0 GFADRO CN(C(=O)[C@@H]1CCN(Cc2ccc(S(C)(=O)=O)s2)C1)c1ccccc1 ZINC000580820991 564775671 /nfs/dbraw/zinc/77/56/71/564775671.db2.gz XPSDLHWAISJWCN-CQSZACIVSA-N 1 0 378.519 2.637 20 0 GFADRO C[N@@H+]1CC[C@]2(CCN(S(=O)(=O)c3cccc(Br)c3Cl)C2)C1 ZINC000490529630 564775738 /nfs/dbraw/zinc/77/57/38/564775738.db2.gz YRCYAQGSXDSQTB-AWEZNQCLSA-N 1 0 393.734 2.819 20 0 GFADRO O=C(Nc1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)[C@H]1CCCCC[NH2+]1 ZINC000580834792 564776460 /nfs/dbraw/zinc/77/64/60/564776460.db2.gz WUHBQIVZIPWPIQ-OAHLLOKOSA-N 1 0 385.917 2.595 20 0 GFADRO O=C([C@@H]1COc2ccc(Br)cc21)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000580891192 564778514 /nfs/dbraw/zinc/77/85/14/564778514.db2.gz XASDYCFKOSXPIB-HEHGZKQESA-N 1 0 379.298 2.773 20 0 GFADRO CSc1ccc(C[NH2+]CCC(=O)N2CCN(c3ccccn3)CC2)s1 ZINC000554969860 564779899 /nfs/dbraw/zinc/77/98/99/564779899.db2.gz ZNIDAVOZOFDFHL-UHFFFAOYSA-N 1 0 376.551 2.694 20 0 GFADRO Cc1cc(N2CCSCC2)ccc1NC(=O)NCC[NH+]1CCSCC1 ZINC000490728986 564781587 /nfs/dbraw/zinc/78/15/87/564781587.db2.gz BRYRRTNKISOWJC-UHFFFAOYSA-N 1 0 380.583 2.719 20 0 GFADRO O=C(NCCc1ccc(Br)s1)N1CCNC[C@H]1c1cccnc1 ZINC000581000872 564783251 /nfs/dbraw/zinc/78/32/51/564783251.db2.gz VOWKREWFCKZYFI-AWEZNQCLSA-N 1 0 395.326 2.804 20 0 GFADRO CCCN(CC[NH+](CC)CC)S(=O)(=O)c1ccc(Br)cn1 ZINC000460937336 564785497 /nfs/dbraw/zinc/78/54/97/564785497.db2.gz RVNHMEDGLRRAAU-UHFFFAOYSA-N 1 0 378.336 2.587 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H]2CN(c3ncnc4cccc(I)c43)C[C@@H]21 ZINC000581063049 564786006 /nfs/dbraw/zinc/78/60/06/564786006.db2.gz VHYRLUODBPAWFP-NTZNESFSSA-N 1 0 394.260 2.798 20 0 GFADRO C[C@H]([NH2+]CCCN1CCCC1=O)c1ccc(Br)cc1OCCCO ZINC000581105649 564787836 /nfs/dbraw/zinc/78/78/36/564787836.db2.gz NMNXFQZNKNOUJL-AWEZNQCLSA-N 1 0 399.329 2.873 20 0 GFADRO OCC[C@@H]([NH2+]Cc1cnn(-c2ccc(Br)cc2)c1)C1CCOCC1 ZINC000461407990 564796105 /nfs/dbraw/zinc/79/61/05/564796105.db2.gz MYXGCVIVEKCSEK-GOSISDBHSA-N 1 0 394.313 2.902 20 0 GFADRO CCC[C@@H]([NH2+]C(C)C)C(=O)NCC(=O)Nc1cc(Br)ccc1C ZINC000491892749 564796470 /nfs/dbraw/zinc/79/64/70/564796470.db2.gz SAISOQICZHAUPA-CQSZACIVSA-N 1 0 384.318 2.979 20 0 GFADRO C[NH+](C)C1(CNc2ncnc3ccc(I)cc32)CCCC1 ZINC000461450256 564797105 /nfs/dbraw/zinc/79/71/05/564797105.db2.gz PIGJMMGRDOTZBD-UHFFFAOYSA-N 1 0 396.276 3.521 20 0 GFADRO CC(C)[N@H+](CCCS(=O)(=O)N(C)C)Cc1cccc(Br)c1 ZINC000492075903 564798702 /nfs/dbraw/zinc/79/87/02/564798702.db2.gz NZCRPMLGSJXOQC-UHFFFAOYSA-N 1 0 377.348 2.941 20 0 GFADRO O=C(NC[C@@H]1COCC[NH2+]1)Nc1cc(Br)cc(C(F)(F)F)c1 ZINC000528678462 564799774 /nfs/dbraw/zinc/79/97/74/564799774.db2.gz ORSADOOJCWEQMC-LLVKDONJSA-N 1 0 382.180 2.578 20 0 GFADRO Cc1cc(Cl)ccc1Cc1cnc(NC(=O)NC[C@@H]2COCC[NH2+]2)s1 ZINC000528691439 564800430 /nfs/dbraw/zinc/80/04/30/564800430.db2.gz IQUTWACUMCZZIS-CQSZACIVSA-N 1 0 380.901 2.806 20 0 GFADRO C[C@H]1CCC[C@@]1(O)C[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000555635987 564800407 /nfs/dbraw/zinc/80/04/07/564800407.db2.gz UDYOZEIOBUJWFL-KBXCAEBGSA-N 1 0 383.330 2.926 20 0 GFADRO O=C(NCc1cc(Br)ccn1)Nc1ccc2c(c1)OCC[NH2+]C2 ZINC000528710204 564801836 /nfs/dbraw/zinc/80/18/36/564801836.db2.gz ZQIOYYKBGZDDOL-UHFFFAOYSA-N 1 0 377.242 2.648 20 0 GFADRO CCCN1C[C@H](C[NH2+]C[C@H](O)COc2c(Cl)cccc2Cl)CC1=O ZINC000581425156 564801870 /nfs/dbraw/zinc/80/18/70/564801870.db2.gz ZJHAXDBVUJMISA-STQMWFEESA-N 1 0 375.296 2.581 20 0 GFADRO OC[C@]1([C@H]([NH2+]C[C@@H](O)COc2ccc(Cl)cc2Cl)C2CC2)CCCO1 ZINC000555759959 564804527 /nfs/dbraw/zinc/80/45/27/564804527.db2.gz ZSXCRUCDWMMYAD-OLMNPRSZSA-N 1 0 390.307 2.643 20 0 GFADRO C[C@]1(CO)CCC[C@@H]1[NH2+]C[C@H](O)COc1ccc(Cl)cc1Br ZINC000492875001 564804628 /nfs/dbraw/zinc/80/46/28/564804628.db2.gz RCDIFKSANYXMQI-VBNZEHGJSA-N 1 0 392.721 2.983 20 0 GFADRO CCCC[N@H+](C)C[C@H](C)NC(=O)NCC(=O)Nc1cccc(Br)c1 ZINC000461792853 564805184 /nfs/dbraw/zinc/80/51/84/564805184.db2.gz AGCZAWYWRZRBSX-ZDUSSCGKSA-N 1 0 399.333 2.807 20 0 GFADRO CC[NH+](CC)CC[C@@H](CO)NC(=O)c1nc2ccccc2cc1Br ZINC000581557580 564808052 /nfs/dbraw/zinc/80/80/52/564808052.db2.gz OPMQKUNEXOPWGF-AWEZNQCLSA-N 1 0 394.313 2.820 20 0 GFADRO Cc1nc(C(F)(F)F)sc1C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000461908630 564808324 /nfs/dbraw/zinc/80/83/24/564808324.db2.gz NDQWWNYPQNBKSQ-UHFFFAOYSA-N 1 0 377.432 2.655 20 0 GFADRO CCn1c(CNC(=O)C[N@@H+]2CC[C@H](C)C2)nc2cc(Br)ccc21 ZINC000581616701 564810696 /nfs/dbraw/zinc/81/06/96/564810696.db2.gz VSQMNPGPOORSSM-LBPRGKRZSA-N 1 0 379.302 2.777 20 0 GFADRO O[C@@H]1C[C@@H]([C@H]2CCCOC2)[N@H+](Cc2cc(Br)c3c(c2)OCCO3)C1 ZINC000556180209 564814096 /nfs/dbraw/zinc/81/40/96/564814096.db2.gz PFTJFNNVWBRPDW-LZWOXQAQSA-N 1 0 398.297 2.582 20 0 GFADRO O[C@@H]1C[C@H]([C@H]2CCCOC2)[N@H+](Cc2cc(Br)c3c(c2)OCCO3)C1 ZINC000556180210 564814383 /nfs/dbraw/zinc/81/43/83/564814383.db2.gz PFTJFNNVWBRPDW-SQWLQELKSA-N 1 0 398.297 2.582 20 0 GFADRO CC[C@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1cc(Cl)cc(C(=O)OC)c1 ZINC000462150792 564824146 /nfs/dbraw/zinc/82/41/46/564824146.db2.gz MYBSGHFBSFYCAB-HNNXBMFYSA-N 1 0 388.917 2.669 20 0 GFADRO COC(=O)c1cc(Br)cc(C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000462145417 564824171 /nfs/dbraw/zinc/82/41/71/564824171.db2.gz GJAYJPGNEJOINT-CYBMUJFWSA-N 1 0 395.297 2.794 20 0 GFADRO CC[NH+]1C[C@@H](C)N(C(=O)c2ccc(I)c(F)c2)[C@H](C)C1 ZINC000581967457 564824459 /nfs/dbraw/zinc/82/44/59/564824459.db2.gz RXOLYXAALUWPIQ-GHMZBOCLSA-N 1 0 390.240 2.985 20 0 GFADRO CSC1(CNC(=O)c2nc(C3CC3)ncc2Br)CC[NH+](C)CC1 ZINC000494335279 564824904 /nfs/dbraw/zinc/82/49/04/564824904.db2.gz YESCLZLXEHWVHI-UHFFFAOYSA-N 1 0 399.358 2.674 20 0 GFADRO O=C(C1CC[NH+]([C@@H]2CCSC2)CC1)N(C[C@H]1CCCO1)[C@@H]1CCSC1 ZINC000581952375 564825002 /nfs/dbraw/zinc/82/50/02/564825002.db2.gz IYRXCSKFIADJSQ-KZNAEPCWSA-N 1 0 384.611 2.717 20 0 GFADRO CCCC[N@H+](C)CCNC(=O)NCc1cc(Br)cc2c1OCC2 ZINC000462204455 564827146 /nfs/dbraw/zinc/82/71/46/564827146.db2.gz RKTVMEHNTXKGRU-UHFFFAOYSA-N 1 0 384.318 2.915 20 0 GFADRO CCCC[N@H+](C)CCNC(=O)Nc1cccc(C(=O)NC)c1Br ZINC000494382378 564827377 /nfs/dbraw/zinc/82/73/77/564827377.db2.gz FBLXIMPJCZPNCZ-UHFFFAOYSA-N 1 0 385.306 2.662 20 0 GFADRO Cc1cc(F)c(NC(=O)N(C)[C@@H]2CC[NH2+]C2)c(I)c1 ZINC000582050243 564828532 /nfs/dbraw/zinc/82/85/32/564828532.db2.gz BJCNGRQOKRDHSU-SECBINFHSA-N 1 0 377.201 2.564 20 0 GFADRO C[C@@H](NC(=O)NCc1cc(F)c(Br)cc1F)[C@H]1CCC[NH2+]C1 ZINC000529334415 564830601 /nfs/dbraw/zinc/83/06/01/564830601.db2.gz WQRIKKZHNNPHQW-ZJUUUORDSA-N 1 0 376.245 2.915 20 0 GFADRO CCC[C@@H](C)[C@@H](CO)[NH2+]CCS(=O)(=O)c1ccc(Br)cc1 ZINC000582125116 564832043 /nfs/dbraw/zinc/83/20/43/564832043.db2.gz HGYWGNBGRFZMDW-IUODEOHRSA-N 1 0 378.332 2.610 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)NCc2ccc(Br)c(F)c2F)C1 ZINC000529369893 564831959 /nfs/dbraw/zinc/83/19/59/564831959.db2.gz KWCPEEWEUCWPNN-ONGXEEELSA-N 1 0 376.245 2.996 20 0 GFADRO COC(=O)c1cc(NC(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)ccc1Br ZINC000582169483 564833984 /nfs/dbraw/zinc/83/39/84/564833984.db2.gz SMONBDVQOKROOO-KRWDZBQOSA-N 1 0 396.285 2.843 20 0 GFADRO C[C@H]1C[N@H+](C)CCN1c1ccc(Br)cc1NC(=O)Cc1ccon1 ZINC000556675866 564834828 /nfs/dbraw/zinc/83/48/28/564834828.db2.gz MPLFFUKHAUCKPW-LBPRGKRZSA-N 1 0 393.285 2.759 20 0 GFADRO Cc1cc(Br)cc2c1[C@H]([NH2+]C[C@@H]1CC[C@H](C(=O)N(C)C)O1)CC2 ZINC000494597407 564834898 /nfs/dbraw/zinc/83/48/98/564834898.db2.gz VOUXGSITRRGDKJ-ARFHVFGLSA-N 1 0 381.314 2.970 20 0 GFADRO C[C@@H]1[C@H](C(=O)Nc2cc(N3CCOCC3)c(Br)cn2)[C@H]1C1CC1 ZINC000529472589 564836792 /nfs/dbraw/zinc/83/67/92/564836792.db2.gz NWJHAMUZCRWFSO-JQAFLVLXSA-N 1 0 380.286 2.911 20 0 GFADRO C[C@@H]1[C@@H](C(=O)Nc2cc(N3CCOCC3)c(Br)cn2)[C@H]1C1CC1 ZINC000529472584 564836987 /nfs/dbraw/zinc/83/69/87/564836987.db2.gz NWJHAMUZCRWFSO-AMKSKSKJSA-N 1 0 380.286 2.911 20 0 GFADRO CC(C)[C@H](NC(=O)c1ccccc1Br)C(=O)N[C@H](C)CCCC[NH3+] ZINC000494718277 564838200 /nfs/dbraw/zinc/83/82/00/564838200.db2.gz IAXQHVMRLFOYNZ-CJNGLKHVSA-N 1 0 398.345 2.837 20 0 GFADRO O=C(Nc1ccc(I)cc1F)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000582312571 564840637 /nfs/dbraw/zinc/84/06/37/564840637.db2.gz CKEJTLOAKSJONW-LLVKDONJSA-N 1 0 389.212 2.789 20 0 GFADRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1Cc1ncc(Cl)cc1Br ZINC000529552271 564842277 /nfs/dbraw/zinc/84/22/77/564842277.db2.gz MNLDBWGUFBNZSE-NSHDSACASA-N 1 0 376.726 2.775 20 0 GFADRO COCC[C@H](Cc1cccc(Br)c1)C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000494879873 564843112 /nfs/dbraw/zinc/84/31/12/564843112.db2.gz RABYHEAVWHTXSY-NUJGCVRESA-N 1 0 395.341 2.855 20 0 GFADRO CC(C)n1cc(S(=O)(=O)N(CC[NH+](C)C)Cc2cccc(Cl)c2)cn1 ZINC000462505906 564844282 /nfs/dbraw/zinc/84/42/82/564844282.db2.gz RBASJUNPKKGVGL-UHFFFAOYSA-N 1 0 384.933 2.870 20 0 GFADRO CNC(=O)CCOC1CC[NH+](CCOc2cc(Cl)ccc2Cl)CC1 ZINC000494967659 564844795 /nfs/dbraw/zinc/84/47/95/564844795.db2.gz AVKHKMPKBIXVSR-UHFFFAOYSA-N 1 0 375.296 2.989 20 0 GFADRO O=C(NCCC1=CC[NH2+]CC1)N1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000582410156 564845401 /nfs/dbraw/zinc/84/54/01/564845401.db2.gz HQGIVLIZUBZTDE-KRWDZBQOSA-N 1 0 394.313 2.842 20 0 GFADRO CCC(CC)(C[NH3+])NC(=O)c1ncc(Br)cc1Br ZINC000582414979 564845711 /nfs/dbraw/zinc/84/57/11/564845711.db2.gz JAXFFCNXRSYCPQ-UHFFFAOYSA-N 1 0 379.096 2.854 20 0 GFADRO C[C@@H]([NH2+][C@H]1CCC(=O)NC1(C)C)c1ccc(Br)cc1OCCCO ZINC000494993481 564845780 /nfs/dbraw/zinc/84/57/80/564845780.db2.gz CFEDKAPYKWPLTK-WBMJQRKESA-N 1 0 399.329 2.918 20 0 GFADRO COCCNC(=O)[C@H](Cc1ccccc1)NCc1sccc1Br ZINC000462554159 564847183 /nfs/dbraw/zinc/84/71/83/564847183.db2.gz QJUGSIYBXBPCGB-HNNXBMFYSA-N 1 0 397.338 2.974 20 0 GFADRO CN(CCn1cc(Br)cn1)C(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000582446033 564847531 /nfs/dbraw/zinc/84/75/31/564847531.db2.gz WKBYTKMKQMBFNI-KRWDZBQOSA-N 1 0 391.313 2.769 20 0 GFADRO O=C(Cc1cc[nH]c(=O)c1Br)NC[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000529721098 564848483 /nfs/dbraw/zinc/84/84/83/564848483.db2.gz YEZUTIPCPSTUNC-CQSZACIVSA-N 1 0 382.302 2.615 20 0 GFADRO Cc1[nH]c(=O)c(Br)cc1C(=O)NC[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000529720035 564848647 /nfs/dbraw/zinc/84/86/47/564848647.db2.gz ZQHKNKDISFCUFN-CYBMUJFWSA-N 1 0 382.302 2.995 20 0 GFADRO [NH3+][C@H]1CCC[C@H](CNS(=O)(=O)c2c(Cl)cccc2Br)C1 ZINC000582606737 564853684 /nfs/dbraw/zinc/85/36/84/564853684.db2.gz XLRZJXDIBGHXIX-UWVGGRQHSA-N 1 0 381.723 2.898 20 0 GFADRO CC[NH+](CC)CC[C@H](CO)NC(=O)Nc1ccc(OC)cc1Br ZINC000495502053 564854694 /nfs/dbraw/zinc/85/46/94/564854694.db2.gz NLGOOIKWAYLWJU-GFCCVEGCSA-N 1 0 388.306 2.672 20 0 GFADRO CCC[C@](C)([NH3+])C(=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000495485672 564854699 /nfs/dbraw/zinc/85/46/99/564854699.db2.gz XFOWSYNHWOYNTL-HNNXBMFYSA-N 1 0 378.826 2.920 20 0 GFADRO CS[C@@H]1CN(C(=O)Cc2csc(Cc3ccccc3)n2)C[C@@H]1[NH+](C)C ZINC000495638727 564855898 /nfs/dbraw/zinc/85/58/98/564855898.db2.gz SARCNMRDPBZBSF-DLBZAZTESA-N 1 0 375.563 2.780 20 0 GFADRO CC1([NH+]2CCOCC2)CCN(C(=O)COc2ccc(Br)cc2)CC1 ZINC000529912425 564856188 /nfs/dbraw/zinc/85/61/88/564856188.db2.gz QLRGYXVCSHQSFN-UHFFFAOYSA-N 1 0 397.313 2.541 20 0 GFADRO CC(C)(CCC[NH3+])NC(=O)NCCNc1ncc(C(F)(F)F)cc1Cl ZINC000582654952 564856212 /nfs/dbraw/zinc/85/62/12/564856212.db2.gz YZBVWNWQWCPOFW-UHFFFAOYSA-N 1 0 381.830 2.982 20 0 GFADRO CN(CC[C@@H]1CCCC[N@@H+]1C)S(=O)(=O)N(C)Cc1c(F)cccc1Cl ZINC000462711509 564856345 /nfs/dbraw/zinc/85/63/45/564856345.db2.gz PSXAHXMFSQDHII-AWEZNQCLSA-N 1 0 391.940 2.962 20 0 GFADRO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)COc1ccc(Cl)cc1Cl ZINC000495830757 564856949 /nfs/dbraw/zinc/85/69/49/564856949.db2.gz AXEPBHYWWYTYKY-UHFFFAOYSA-N 1 0 388.339 2.857 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+][C@@H]2[C@H]3Cc4ccccc4[C@@H]23)cc1Br ZINC000582676762 564857377 /nfs/dbraw/zinc/85/73/77/564857377.db2.gz IWIAQLCQMHPQAS-IAOVAPTHSA-N 1 0 393.306 2.524 20 0 GFADRO C[NH+](C)C[C@@H](NC(=O)c1ccc2n[nH]nc2n1)c1ccc(Cl)c(Cl)c1 ZINC000530032314 564860111 /nfs/dbraw/zinc/86/01/11/564860111.db2.gz HFSSZATXVMDKSU-CQSZACIVSA-N 1 0 379.251 2.692 20 0 GFADRO O=C(Nc1nnc(-c2c(Cl)cccc2Cl)s1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000530031292 564860575 /nfs/dbraw/zinc/86/05/75/564860575.db2.gz FICLTRVSNXVPPC-GFCCVEGCSA-N 1 0 398.319 2.840 20 0 GFADRO C[C@@H]1CCN(S(=O)(=O)Nc2cc(Cl)ccc2OC2CC[NH+](C)CC2)C1 ZINC000582766420 564860995 /nfs/dbraw/zinc/86/09/95/564860995.db2.gz RRZMHVJYXQPHMN-CYBMUJFWSA-N 1 0 387.933 2.812 20 0 GFADRO CCS(=O)(=O)c1ccc(C[NH2+]C[C@@H](O)COc2cc(C)ccc2C)s1 ZINC000582780793 564861808 /nfs/dbraw/zinc/86/18/08/564861808.db2.gz HCBQJWZVNGFECY-OAHLLOKOSA-N 1 0 383.535 2.688 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S(=O)(=O)CC[NH2+]C[C@@H]1CC=CCC1 ZINC000582780346 564861937 /nfs/dbraw/zinc/86/19/37/564861937.db2.gz LXZQICSDUMOLKX-MRXNPFEDSA-N 1 0 385.551 2.590 20 0 GFADRO COc1cccc(C(=O)NCC[NH2+][C@@H](C)c2cncc(Br)c2)c1 ZINC000582797413 564862546 /nfs/dbraw/zinc/86/25/46/564862546.db2.gz RHGLARLTVZMIGD-LBPRGKRZSA-N 1 0 378.270 2.933 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CCCCN1S(=O)(=O)c1ccc(Br)c(Cl)c1 ZINC000497350334 564865778 /nfs/dbraw/zinc/86/57/78/564865778.db2.gz PRYVKMUYMLKYOS-RNCFNFMXSA-N 1 0 381.723 2.993 20 0 GFADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)NCCc3ccc(F)c(Br)c3)[C@H]2C1 ZINC000497406017 564866404 /nfs/dbraw/zinc/86/64/04/564866404.db2.gz DCJKTQLHPQIYNM-CJNGLKHVSA-N 1 0 384.293 2.866 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H](CNC(=O)c2cn(-c3ccc(Br)cc3)cn2)C1 ZINC000582899816 564866999 /nfs/dbraw/zinc/86/69/99/564866999.db2.gz JZBRNDIVDQAHOT-TZMCWYRMSA-N 1 0 377.286 2.882 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)CSc2cccc(Br)c2)CC12CCOCC2 ZINC000582904251 564867112 /nfs/dbraw/zinc/86/71/12/564867112.db2.gz ITXLXDVKNAMJPL-CYBMUJFWSA-N 1 0 399.354 2.755 20 0 GFADRO CN(C(=O)CNC(=O)c1ccc(Cl)cc1Cl)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000557602796 564869765 /nfs/dbraw/zinc/86/97/65/564869765.db2.gz LWQGFMNIYREOOH-PBWFPOADSA-N 1 0 384.307 2.807 20 0 GFADRO O=C(NC[C@H]1CC[N@@H+]1C1CCCCC1)c1nc2ccc(Br)cn2n1 ZINC000530189520 564870546 /nfs/dbraw/zinc/87/05/46/564870546.db2.gz HDMCEVPZHQIBND-CQSZACIVSA-N 1 0 392.301 2.629 20 0 GFADRO Cc1nc(NC(=O)C[C@H](C)[C@H]2CCC[NH2+]C2)ccc1I ZINC000463140696 564870619 /nfs/dbraw/zinc/87/06/19/564870619.db2.gz HMYJAIILLQRNJB-JQWIXIFHSA-N 1 0 387.265 2.959 20 0 GFADRO CC(=O)N1CC([NH2+]Cc2cc(Br)c(C)c(Br)c2)C1 ZINC000582976442 564870929 /nfs/dbraw/zinc/87/09/29/564870929.db2.gz WWKUVJFHVYWIPO-UHFFFAOYSA-N 1 0 376.092 2.840 20 0 GFADRO Ic1cnc(NC2CC[NH+](Cc3cccnc3)CC2)nc1 ZINC000557674490 564871502 /nfs/dbraw/zinc/87/15/02/564871502.db2.gz SVHKLRVRFISKPQ-UHFFFAOYSA-N 1 0 395.248 2.553 20 0 GFADRO O=S(=O)(Cc1ccc(Cl)cc1Cl)NCCC[NH2+]Cc1cccnc1 ZINC000583027083 564872659 /nfs/dbraw/zinc/87/26/59/564872659.db2.gz CMFVDIOOUFOEQX-UHFFFAOYSA-N 1 0 388.320 2.988 20 0 GFADRO Cc1cc(F)c(NC(=O)N[C@@H](C)C[C@@H](C)[NH3+])c(I)c1 ZINC000583025364 564872845 /nfs/dbraw/zinc/87/28/45/564872845.db2.gz WKZOKTCWYBIEMA-BDAKNGLRSA-N 1 0 379.217 2.986 20 0 GFADRO C[C@@H]1C[C@@H](N2CCOCC2)C[N@@H+]1Cc1nc2ccc(Br)cc2o1 ZINC000463216740 564872866 /nfs/dbraw/zinc/87/28/66/564872866.db2.gz XCOVQPZQYAGGEX-TZMCWYRMSA-N 1 0 380.286 2.885 20 0 GFADRO CC(C)[C@@H]1C[NH2+]CCN1CC(=O)Nc1c(F)cc(F)cc1Br ZINC000530229044 564872906 /nfs/dbraw/zinc/87/29/06/564872906.db2.gz ALNIZMXYCAXUAR-ZDUSSCGKSA-N 1 0 376.245 2.596 20 0 GFADRO C[N@@H+]1CC[C@H]2CCN(C(=O)NCCOc3ccc(Br)cc3)[C@H]2C1 ZINC000497691702 564873636 /nfs/dbraw/zinc/87/36/36/564873636.db2.gz PZTYFVRBVCGIFK-BBRMVZONSA-N 1 0 382.302 2.564 20 0 GFADRO C[C@@H]1CCC[N@H+](CCNS(=O)(=O)Cc2ccccc2Br)C1 ZINC000557796906 564877002 /nfs/dbraw/zinc/87/70/02/564877002.db2.gz CRKYLLOEDVAUPF-CYBMUJFWSA-N 1 0 375.332 2.600 20 0 GFADRO O=S(=O)(Cc1ccccc1Br)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000557825022 564879010 /nfs/dbraw/zinc/87/90/10/564879010.db2.gz RWQXBAYZHUCSEL-AWEZNQCLSA-N 1 0 387.343 2.697 20 0 GFADRO CCN1CC[NH+](CCCCNC(=O)CCc2cccc(Br)c2)CC1 ZINC000497978842 564883066 /nfs/dbraw/zinc/88/30/66/564883066.db2.gz OXVNFUNIBXHFGC-UHFFFAOYSA-N 1 0 396.373 2.916 20 0 GFADRO CC[S@](=O)[C@H]1CCC[C@H](NC(=O)[C@@H]2C[NH2+]C[C@H]2c2ccc(Cl)cc2)C1 ZINC000583330252 564886587 /nfs/dbraw/zinc/88/65/87/564886587.db2.gz RXSHPVBZASLKPI-UAKBZKTPSA-N 1 0 382.957 2.839 20 0 GFADRO C[C@@H]1CC[N@H+](CCNC(=O)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)C1 ZINC000530567352 564888469 /nfs/dbraw/zinc/88/84/69/564888469.db2.gz VJLJDZYTAZSDTK-SNVBAGLBSA-N 1 0 377.794 2.755 20 0 GFADRO CCN(CC[NH+]1CCCCCC1)C(=O)CCn1cc(Br)ccc1=O ZINC000558032031 564889206 /nfs/dbraw/zinc/88/92/06/564889206.db2.gz WTQOLGRBJSKSRO-UHFFFAOYSA-N 1 0 398.345 2.725 20 0 GFADRO CO[C@H]1CCN(C(=O)N[C@@H]2C[C@H]2c2ccc(Br)s2)[C@H](C[NH3+])C1 ZINC000583430526 564891334 /nfs/dbraw/zinc/89/13/34/564891334.db2.gz FKMKGRQNVHDABV-NNYUYHANSA-N 1 0 388.331 2.514 20 0 GFADRO [NH3+][C@@H](CC(F)F)C(=O)N1CCC[C@@H]1C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000498206526 564891689 /nfs/dbraw/zinc/89/16/89/564891689.db2.gz HYRNCTHXBCQAKA-NWDGAFQWSA-N 1 0 380.222 2.905 20 0 GFADRO Cc1nc(C)c(S(=O)(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)s1 ZINC000530716892 564892418 /nfs/dbraw/zinc/89/24/18/564892418.db2.gz IYKGCNUFDYDDNZ-GUYCJALGSA-N 1 0 379.551 2.949 20 0 GFADRO CC(C)[NH+]1CCC(N2CCN([C@@H](C)c3ncc(Br)cn3)CC2)CC1 ZINC000558100581 564893069 /nfs/dbraw/zinc/89/30/69/564893069.db2.gz MXTJGVMKNIHBGH-HNNXBMFYSA-N 1 0 396.377 2.791 20 0 GFADRO COC(=O)c1cc(C[NH2+][C@H]2CCN(c3ccccc3Br)C2)c[nH]1 ZINC000530763432 564893969 /nfs/dbraw/zinc/89/39/69/564893969.db2.gz JEZKSHIDQXHNTP-ZDUSSCGKSA-N 1 0 378.270 2.932 20 0 GFADRO CCO[C@@H]1C[C@@H]([NH2+][C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)C12CCC2 ZINC000558258072 564896098 /nfs/dbraw/zinc/89/60/98/564896098.db2.gz PBAWRHXVTQDUJO-BZUAXINKSA-N 1 0 384.567 2.839 20 0 GFADRO O=C(N[C@H]1CC[N@@H+](C2CC2)C1)c1cc(=O)[nH]c2c(Br)cccc12 ZINC000530924654 564897786 /nfs/dbraw/zinc/89/77/86/564897786.db2.gz ZWJIZWPYZDSSRT-JTQLQIEISA-N 1 0 376.254 2.669 20 0 GFADRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)Cc2noc3ccc(Br)cc32)C1 ZINC000583559567 564897721 /nfs/dbraw/zinc/89/77/21/564897721.db2.gz BLCPVUUADICQMA-LBPRGKRZSA-N 1 0 380.286 2.979 20 0 GFADRO CC(C)(C(=O)N1C[C@H](C[NH3+])C2(C1)CCOCC2)c1ccc(Br)cc1 ZINC000583564070 564897897 /nfs/dbraw/zinc/89/78/97/564897897.db2.gz XLDVMPUCDRQPGT-HNNXBMFYSA-N 1 0 395.341 2.941 20 0 GFADRO Cc1nnc2n1C[C@@H](C[NH2+]CCC(=O)Nc1cccc(Br)c1)CC2 ZINC000558343426 564898788 /nfs/dbraw/zinc/89/87/88/564898788.db2.gz WSALZMASPMNHOD-CYBMUJFWSA-N 1 0 392.301 2.530 20 0 GFADRO O=C1NC(=O)C2(CCC([NH2+][C@@H]3CSc4ccc(Br)cc43)CC2)N1 ZINC000583624033 564899515 /nfs/dbraw/zinc/89/95/15/564899515.db2.gz JLMNUWGXHKENJA-YZKWQOGNSA-N 1 0 396.310 2.706 20 0 GFADRO CSC1(C[NH2+]C[C@H](O)COc2ccc(I)cc2)CC1 ZINC000558405257 564900117 /nfs/dbraw/zinc/90/01/17/564900117.db2.gz QUGNRAYLGZNCOC-LBPRGKRZSA-N 1 0 393.290 2.516 20 0 GFADRO C[NH+](C)CC1CCN(C(=O)c2cc(F)ccc2I)CC1 ZINC000498529191 564900881 /nfs/dbraw/zinc/90/08/81/564900881.db2.gz OWYNHXBKAGAMJF-UHFFFAOYSA-N 1 0 390.240 2.844 20 0 GFADRO CC[N@@H+]1C[C@H](C)N(C(=O)c2ccc(F)cc2I)C[C@@H]1C ZINC000498555560 564901588 /nfs/dbraw/zinc/90/15/88/564901588.db2.gz ASXQUXAUBXFJAE-QWRGUYRKSA-N 1 0 390.240 2.985 20 0 GFADRO Cc1cc(S(=O)(=O)NC[C@]2([NH+](C)C)CCSC2)ccc1C(F)(F)F ZINC000583721692 564904276 /nfs/dbraw/zinc/90/42/76/564904276.db2.gz KITOFOIMHIGYPO-CQSZACIVSA-N 1 0 382.473 2.729 20 0 GFADRO CC[C@@H](CNC(=O)[C@H]1CN(CC)CCO1)Cc1cccc(Br)c1 ZINC000498629401 564904386 /nfs/dbraw/zinc/90/43/86/564904386.db2.gz ZHDCOBHJNODJFX-RHSMWYFYSA-N 1 0 383.330 2.855 20 0 GFADRO CC[NH+]1CCN([C@@H](C)CNC(=O)[C@H](C)c2cccc(Br)c2)CC1 ZINC000464551916 564909945 /nfs/dbraw/zinc/90/99/45/564909945.db2.gz CYLOZUXDMLXUTD-LSDHHAIUSA-N 1 0 382.346 2.695 20 0 GFADRO CCN1CC[NH+](CCCCNC(=O)c2sc(C(F)(F)F)nc2C)CC1 ZINC000464558640 564910576 /nfs/dbraw/zinc/91/05/76/564910576.db2.gz BOGCHUUSAVAMFX-UHFFFAOYSA-N 1 0 378.464 2.618 20 0 GFADRO O=C(NCCNc1cc[nH+]cc1)N[C@H]1C[C@H](c2ccc(Br)cc2)C1 ZINC000558671790 564910726 /nfs/dbraw/zinc/91/07/26/564910726.db2.gz SMEBJAMREUJAFJ-CZIWCDLHSA-N 1 0 389.297 2.923 20 0 GFADRO COC(=O)C[C@]1([NH2+]Cc2cccc(Br)c2OC(F)F)CCOC1 ZINC000464601894 564912712 /nfs/dbraw/zinc/91/27/12/564912712.db2.gz NIOJFISABMGSPU-OAHLLOKOSA-N 1 0 394.212 2.862 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2cc(Cl)ccc2C(F)(F)F)CC[N@@H+]1C ZINC000499034760 564915577 /nfs/dbraw/zinc/91/55/77/564915577.db2.gz AABVYPBNYKWIQW-KOLCDFICSA-N 1 0 377.794 2.896 20 0 GFADRO CC(C)[N@@H+]1CCCN(C(=O)NCCOc2ncc(Cl)cc2Cl)CC1 ZINC000531636924 564916358 /nfs/dbraw/zinc/91/63/58/564916358.db2.gz AUHSQFAQWPHJSO-UHFFFAOYSA-N 1 0 375.300 2.893 20 0 GFADRO CC[C@@H](CO)[NH+]1CCN(Cc2nnc(-c3c(Cl)cccc3Cl)o2)CC1 ZINC000464760596 564917326 /nfs/dbraw/zinc/91/73/26/564917326.db2.gz IXAOUKRJPCYWBH-LBPRGKRZSA-N 1 0 385.295 2.932 20 0 GFADRO C[C@@H](Oc1cc(Cl)cc(Cl)c1)C(=O)NC1(CCO)CC[NH+](C)CC1 ZINC000499127762 564919271 /nfs/dbraw/zinc/91/92/71/564919271.db2.gz AUOKNEBLYVSRJH-GFCCVEGCSA-N 1 0 375.296 2.724 20 0 GFADRO CSc1ccc([C@@H](CNC(=O)C2CN(CC(F)(F)F)C2)[NH+](C)C)cc1 ZINC000584135338 564922622 /nfs/dbraw/zinc/92/26/22/564922622.db2.gz AYEKAVYHJHDVNI-OAHLLOKOSA-N 1 0 375.460 2.622 20 0 GFADRO CCC[C@@H](C)[C@@H](CO)[NH2+]CC(=O)Nc1ccc(I)cc1 ZINC000584175684 564924448 /nfs/dbraw/zinc/92/44/48/564924448.db2.gz IKFHEUPBDXRIEI-BXUZGUMPSA-N 1 0 390.265 2.616 20 0 GFADRO C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1C(=O)Cn1cc(Br)cn1 ZINC000499436175 564927301 /nfs/dbraw/zinc/92/73/01/564927301.db2.gz BDKSTDZTPXQKGF-HUUCEWRRSA-N 1 0 391.313 2.767 20 0 GFADRO CCOC[C@@H](O)C[NH2+]C1(Cc2ccc(F)cc2Br)CCOCC1 ZINC000559268022 564928756 /nfs/dbraw/zinc/92/87/56/564928756.db2.gz UWMJMPZYTBZSDP-HNNXBMFYSA-N 1 0 390.293 2.667 20 0 GFADRO O=C(NCCCC[NH+]1CCOCC1)N[C@@H]1COc2c1ccc(Cl)c2Cl ZINC000465591182 564930709 /nfs/dbraw/zinc/93/07/09/564930709.db2.gz FWOGFUUGLVVHMA-CQSZACIVSA-N 1 0 388.295 2.839 20 0 GFADRO COc1ncc(C[NH2+]C(C)(C)COc2ncccc2Br)c(C)n1 ZINC000499597623 564931175 /nfs/dbraw/zinc/93/11/75/564931175.db2.gz CQFKZPGFANRELM-UHFFFAOYSA-N 1 0 381.274 2.898 20 0 GFADRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cc3c(c(Br)c2)OCO3)[C@H]1n1cccn1 ZINC000559361664 564931529 /nfs/dbraw/zinc/93/15/29/564931529.db2.gz RFJSBKBRZJRTBF-IIAWOOMASA-N 1 0 394.269 2.883 20 0 GFADRO C[C@@H](NC(=O)C[N@@H+]1CCC[C@@H](CCC(N)=O)C1)c1ccc(Br)cc1 ZINC000559437002 564932657 /nfs/dbraw/zinc/93/26/57/564932657.db2.gz RXBLCVXCNAPMEL-KGLIPLIRSA-N 1 0 396.329 2.604 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000465931528 564934137 /nfs/dbraw/zinc/93/41/37/564934137.db2.gz GRXOLOKJCUVMNM-NVXWUHKLSA-N 1 0 395.345 2.811 20 0 GFADRO CS(=O)(=O)c1ccc(C[NH2+]CCOc2ncc(Cl)cc2Cl)cc1 ZINC000532393926 564936623 /nfs/dbraw/zinc/93/66/23/564936623.db2.gz BEKGKJRYONCDSZ-UHFFFAOYSA-N 1 0 375.277 2.961 20 0 GFADRO COc1ccc(Br)cc1CNC(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000466279928 564936963 /nfs/dbraw/zinc/93/69/63/564936963.db2.gz VGHLWMJOZGUBIZ-IAQYHMDHSA-N 1 0 382.302 2.740 20 0 GFADRO O=C(NCc1cccc(Cl)c1Cl)C(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000559630972 564937574 /nfs/dbraw/zinc/93/75/74/564937574.db2.gz KJADXDFJNQVEEK-CQSZACIVSA-N 1 0 384.307 2.696 20 0 GFADRO CC[N@@H+]1CCCN(C(=O)[C@H]2CC(=O)N(c3cc(Cl)cc(Cl)c3)C2)CC1 ZINC000499869720 564938619 /nfs/dbraw/zinc/93/86/19/564938619.db2.gz XKVHDKUJCDFUSN-ZDUSSCGKSA-N 1 0 384.307 2.901 20 0 GFADRO CCOc1cccc(C[NH2+]CCCNS(=O)(=O)c2ccccc2Cl)n1 ZINC000466383628 564939850 /nfs/dbraw/zinc/93/98/50/564939850.db2.gz NMPJRQJMLLCEQG-UHFFFAOYSA-N 1 0 383.901 2.592 20 0 GFADRO CN(CCC[NH+]1CCCC1)CCS(=O)(=O)c1cccc(Br)c1 ZINC000499907318 564940222 /nfs/dbraw/zinc/94/02/22/564940222.db2.gz JRVBDADONYRYGE-UHFFFAOYSA-N 1 0 389.359 2.641 20 0 GFADRO CCOC[C@@H]1CCC[N@H+](Cc2cc(=O)n3cc(Br)ccc3n2)C1 ZINC000532553583 564940909 /nfs/dbraw/zinc/94/09/09/564940909.db2.gz QTMVMPXCLZBGSS-CYBMUJFWSA-N 1 0 380.286 2.706 20 0 GFADRO C[C@H](CNC(=O)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C)Oc1ccccc1Br ZINC000466547939 564943426 /nfs/dbraw/zinc/94/34/26/564943426.db2.gz JQNBLVYKPRTJLW-ZENOOKHLSA-N 1 0 396.329 2.998 20 0 GFADRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N1CCc2ccc(Br)cc2C1 ZINC000560105196 564949850 /nfs/dbraw/zinc/94/98/50/564949850.db2.gz KXQKXKOUVNHUFA-SJCJKPOMSA-N 1 0 378.314 3.000 20 0 GFADRO CC[N@H+](CCC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1Cl)C1CCC1 ZINC000532978951 564950519 /nfs/dbraw/zinc/95/05/19/564950519.db2.gz PAIIHSNJKUQSAH-UHFFFAOYSA-N 1 0 387.933 2.793 20 0 GFADRO CC[C@@H](O)[C@H]1CCCC[N@@H+]1Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000532969375 564951019 /nfs/dbraw/zinc/95/10/19/564951019.db2.gz CKIJLGYBIJIXQX-HUUCEWRRSA-N 1 0 380.286 2.582 20 0 GFADRO CCCOc1cc(C[NH2+]CCNS(=O)(=O)c2cccs2)ccc1OC ZINC000533008567 564951640 /nfs/dbraw/zinc/95/16/40/564951640.db2.gz XQRBMZFERSTYLI-UHFFFAOYSA-N 1 0 384.523 2.614 20 0 GFADRO CC[NH+](CC)C[C@@H]1CCN(Cc2cc(=O)n3cc(Br)ccc3n2)C1 ZINC000532990185 564951987 /nfs/dbraw/zinc/95/19/87/564951987.db2.gz LRGMYWCOQGJUNO-AWEZNQCLSA-N 1 0 393.329 2.621 20 0 GFADRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1ccc(I)c(F)c1 ZINC000467027490 564953493 /nfs/dbraw/zinc/95/34/93/564953493.db2.gz YEZKUMJUAYZVOY-YMTOWFKASA-N 1 0 388.224 2.643 20 0 GFADRO COCCn1cc(C[NH2+]CC2=Cc3cc(Br)ccc3OC2)cn1 ZINC000500453926 564954688 /nfs/dbraw/zinc/95/46/88/564954688.db2.gz WJNOUPRNRLXCPS-UHFFFAOYSA-N 1 0 378.270 2.858 20 0 GFADRO Cc1cc(C[NH2+][C@H]2CCC[C@@H]2CNS(C)(=O)=O)sc1Br ZINC000500564659 564956764 /nfs/dbraw/zinc/95/67/64/564956764.db2.gz LWFJYIXPPPDNIM-PWSUYJOCSA-N 1 0 381.361 2.627 20 0 GFADRO Cc1ccc(-c2ncc(C[NH2+][C@H]3CCC[C@H]3CNS(C)(=O)=O)s2)cc1 ZINC000500543796 564956772 /nfs/dbraw/zinc/95/67/72/564956772.db2.gz FVJSMHWJTDYGRA-RDJZCZTQSA-N 1 0 379.551 2.926 20 0 GFADRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NS(=O)(=O)c1cncc(Cl)c1 ZINC000533175805 564957209 /nfs/dbraw/zinc/95/72/09/564957209.db2.gz SVTGSGLJFZOKLA-KDOFPFPSSA-N 1 0 379.913 2.924 20 0 GFADRO C[NH+](C)CCCOc1ccc(CNS(=O)(=O)c2cncc(Cl)c2)cc1 ZINC000533174054 564957382 /nfs/dbraw/zinc/95/73/82/564957382.db2.gz GIMDULCAVAGKRD-UHFFFAOYSA-N 1 0 383.901 2.544 20 0 GFADRO CCCC[N@H+](C)CCNC(=O)C(=O)Nc1cc(Br)c(F)cc1F ZINC000467240546 564959533 /nfs/dbraw/zinc/95/95/33/564959533.db2.gz CTKGMPGWDNVEKY-UHFFFAOYSA-N 1 0 392.244 2.514 20 0 GFADRO CC(C)[N@H+](C)CC(=O)N1CCN(Cc2cc(Br)ccc2F)CC1 ZINC000500813191 564962908 /nfs/dbraw/zinc/96/29/08/564962908.db2.gz FFMJLULEFZGICD-UHFFFAOYSA-N 1 0 386.309 2.573 20 0 GFADRO CC[C@@H]([NH2+][C@H]1CCN(CCC(=O)OC)C1=O)c1ccc(Br)cc1 ZINC000500834277 564963688 /nfs/dbraw/zinc/96/36/88/564963688.db2.gz ARMXJZYZAQFWJU-CABCVRRESA-N 1 0 383.286 2.654 20 0 GFADRO O=S(=O)(c1cccs1)N1CC[C@@H](C[NH2+]Cc2csc(C3CC3)n2)C1 ZINC000560497192 564965852 /nfs/dbraw/zinc/96/58/52/564965852.db2.gz UNRGFQLJWKIFIJ-LBPRGKRZSA-N 1 0 383.564 2.882 20 0 GFADRO CCC[NH+]1CCC(N(C)C(=O)N[C@H](C)c2ncc(Br)cn2)CC1 ZINC000560533906 564966378 /nfs/dbraw/zinc/96/63/78/564966378.db2.gz GQADYIOQPLCDKN-GFCCVEGCSA-N 1 0 384.322 2.816 20 0 GFADRO C[C@@H]([NH2+]CCN1CCO[C@@H](C)C1)c1cc2c(cc1Br)OCCO2 ZINC000501004988 564967668 /nfs/dbraw/zinc/96/76/68/564967668.db2.gz CKTDDHSYUQRVDE-QWHCGFSZSA-N 1 0 385.302 2.592 20 0 GFADRO CCOc1c(Cl)cc(NC(=O)C(=O)NCC[N@H+](CC)C2CC2)cc1Cl ZINC000467615824 564968140 /nfs/dbraw/zinc/96/81/40/564968140.db2.gz XBVOMNDDPJHUHG-UHFFFAOYSA-N 1 0 388.295 2.931 20 0 GFADRO CCOc1c(Cl)cc(NC(=O)C(=O)N2CCC[C@H]([NH+](C)C)C2)cc1Cl ZINC000467594281 564968183 /nfs/dbraw/zinc/96/81/83/564968183.db2.gz LXVHITUZERFDGT-LBPRGKRZSA-N 1 0 388.295 2.883 20 0 GFADRO CN(Cc1ccccc1Br)C(=O)C[N@@H+]1CCCC[C@H]1C1(O)CC1 ZINC000560590916 564969193 /nfs/dbraw/zinc/96/91/93/564969193.db2.gz YZOGATDWVPVVEQ-INIZCTEOSA-N 1 0 381.314 2.787 20 0 GFADRO O=S(=O)([C@@H]1CCC[N@H+](Cc2csc3ccccc23)C1)N1CCOCC1 ZINC000501122529 564971399 /nfs/dbraw/zinc/97/13/99/564971399.db2.gz QWIJELXNMWZQIU-MRXNPFEDSA-N 1 0 380.535 2.528 20 0 GFADRO O=C(Nc1cccc(C[N@H+]2CC[C@H](O)C2)c1)c1ccc(Br)cn1 ZINC000560677071 564971533 /nfs/dbraw/zinc/97/15/33/564971533.db2.gz RLYPWJDRMMBITQ-HNNXBMFYSA-N 1 0 376.254 2.663 20 0 GFADRO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)c2cc(Br)ccc2F)CC1 ZINC000501135050 564971640 /nfs/dbraw/zinc/97/16/40/564971640.db2.gz OBBSYYDYSZDKIS-HNNXBMFYSA-N 1 0 398.320 2.830 20 0 GFADRO C[NH+]1CCN(c2ccc(Br)cc2NC(=O)[C@@]2(C)CCCO2)CC1 ZINC000501246097 564974532 /nfs/dbraw/zinc/97/45/32/564974532.db2.gz YYYOCPJIDKOJMK-QGZVFWFLSA-N 1 0 382.302 2.709 20 0 GFADRO CCSc1nnc(NC(=O)c2cccc(CN3CC[NH+](C)CC3)c2)s1 ZINC000467995532 564976741 /nfs/dbraw/zinc/97/67/41/564976741.db2.gz RVQRGVOKDDPOOM-UHFFFAOYSA-N 1 0 377.539 2.650 20 0 GFADRO CC[NH+]1CCN(CC(=O)N2CCC[C@@H]2c2ccc(Br)cc2)CC1 ZINC000468067919 564977673 /nfs/dbraw/zinc/97/76/73/564977673.db2.gz GTMOXNFYMUMBDL-QGZVFWFLSA-N 1 0 380.330 2.750 20 0 GFADRO C[C@H](CC(F)(F)F)[NH2+][C@H](C)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000468048201 564977677 /nfs/dbraw/zinc/97/76/77/564977677.db2.gz FRLFGWKRIAJMTF-CHWSQXEVSA-N 1 0 380.432 2.699 20 0 GFADRO COc1ccc(-c2ncc(C(=O)N3C[C@@H]([NH+](C)C)[C@@H](SC)C3)s2)cc1 ZINC000534093282 564979486 /nfs/dbraw/zinc/97/94/86/564979486.db2.gz HGMRLNAXKLSWMY-ZBFHGGJFSA-N 1 0 377.535 2.936 20 0 GFADRO [NH3+]C[C@H]1CC[C@H](NC(=O)NCCNc2ncc(C(F)(F)F)cc2Cl)C1 ZINC000561143177 564985784 /nfs/dbraw/zinc/98/57/84/564985784.db2.gz PGDFFAQZNVNTKU-ONGXEEELSA-N 1 0 379.814 2.592 20 0 GFADRO C[C@H](C[NH2+]Cc1cn(-c2cccc(Cl)c2Cl)nn1)CN1CCOCC1 ZINC000534352380 564986690 /nfs/dbraw/zinc/98/66/90/564986690.db2.gz KZKGNSRNACGHCT-CYBMUJFWSA-N 1 0 384.311 2.632 20 0 GFADRO CC(=O)N1CC[C@@H](C[N@H+](C)CC[S@@](=O)c2cc(Cl)ccc2Cl)C1 ZINC000534356399 564986740 /nfs/dbraw/zinc/98/67/40/564986740.db2.gz AHCZUUIFDWOUKH-ZAMGYDSWSA-N 1 0 377.337 2.901 20 0 GFADRO C[C@@H](NC(=O)NC1CC[NH2+]CC1)c1nc(-c2ccc(Br)cc2)no1 ZINC000561188355 564987086 /nfs/dbraw/zinc/98/70/86/564987086.db2.gz ADWISYCCGOOPJU-SNVBAGLBSA-N 1 0 394.273 2.611 20 0 GFADRO C[C@@H](O)C[N@@H+]1CCN(Cc2cc(Br)ccc2OC(F)F)[C@@H](C)C1 ZINC000501947426 564988703 /nfs/dbraw/zinc/98/87/03/564988703.db2.gz LDXVWCGJSVGQAL-NWDGAFQWSA-N 1 0 393.272 2.937 20 0 GFADRO Cc1ncc(NC(=O)C(=O)NC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)s1 ZINC000501945291 564988830 /nfs/dbraw/zinc/98/88/30/564988830.db2.gz FKTZGHDHMVMGPB-IUODEOHRSA-N 1 0 378.523 2.651 20 0 GFADRO C[C@H](O)C[N@@H+]1CCN(CCOc2ccc(Cl)cc2Br)[C@H](C)C1 ZINC000501973294 564989462 /nfs/dbraw/zinc/98/94/62/564989462.db2.gz HBJXBYDEMMFAGU-OLZOCXBDSA-N 1 0 391.737 2.868 20 0 GFADRO C[N@@H+]1CCC[C@H]1CNC(=O)Nc1cnn(-c2ccccc2Br)c1 ZINC000534482510 564990076 /nfs/dbraw/zinc/99/00/76/564990076.db2.gz NLQCWZQZRJIGDB-ZDUSSCGKSA-N 1 0 378.274 2.851 20 0 GFADRO CC[N@H+](CCNC(=O)Nc1ccc(S(C)(=O)=O)c(C(F)F)c1)C(C)C ZINC000561401836 564994054 /nfs/dbraw/zinc/99/40/54/564994054.db2.gz LXFYAPFSWWOJMM-UHFFFAOYSA-N 1 0 377.457 2.880 20 0 GFADRO C[C@H](O)[C@@H]1CCC[N@H+](C[C@@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000534845310 564998408 /nfs/dbraw/zinc/99/84/08/564998408.db2.gz YJUVRBSBIQXYFB-OUCADQQQSA-N 1 0 392.721 2.935 20 0 GFADRO Cc1cnc(NC(=O)[C@H]2CSCN2C(=O)[C@@H](C)[NH+]2CCCCCC2)s1 ZINC000468931695 564999331 /nfs/dbraw/zinc/99/93/31/564999331.db2.gz JJJSKGOPSKEIBU-ZIAGYGMSSA-N 1 0 382.555 2.556 20 0 GFADRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1S(=O)(=O)N(C)Cc1c(F)cccc1Cl ZINC000561552540 565001288 /nfs/dbraw/zinc/00/12/88/565001288.db2.gz WDPCBSMHJFDRID-DYVFJYSZSA-N 1 0 389.924 2.714 20 0 GFADRO CC[N@@H+]1C[C@H](C)N(C(=O)Nc2ccc(NS(C)(=O)=O)c(Cl)c2)C[C@@H]1C ZINC000535038005 565002915 /nfs/dbraw/zinc/00/29/15/565002915.db2.gz BZYUENIMWDHCQB-RYUDHWBXSA-N 1 0 388.921 2.658 20 0 GFADRO C[N@H+](CC(=O)NCCC(=O)Nc1cc(Cl)cc(Cl)c1)[C@H]1CCSC1 ZINC000561600693 565003646 /nfs/dbraw/zinc/00/36/46/565003646.db2.gz IHYMSBCUXWKGKC-AWEZNQCLSA-N 1 0 390.336 2.876 20 0 GFADRO C[C@@H]([NH2+]C[C@H](O)CN1C[C@@H](C)O[C@H](C)C1)c1ccc(Br)cc1F ZINC000561796567 565009698 /nfs/dbraw/zinc/00/96/98/565009698.db2.gz AULHUFNXBHYFNX-BHPKHCPMSA-N 1 0 389.309 2.709 20 0 GFADRO C[C@@H]([NH2+][C@@H](C)C(=O)NC[C@H]1CCS(=O)(=O)C1)c1ccc(Cl)c(Cl)c1 ZINC000561826618 565010563 /nfs/dbraw/zinc/01/05/63/565010563.db2.gz DHDWLFFBOAFRQR-GRYCIOLGSA-N 1 0 393.336 2.583 20 0 GFADRO Cn1c(C[NH2+]C[C@H](O)COc2ccc(Br)cc2)nc2ccccc21 ZINC000561838689 565011350 /nfs/dbraw/zinc/01/13/50/565011350.db2.gz GFPJPOGCYUMPLL-AWEZNQCLSA-N 1 0 390.281 2.865 20 0 GFADRO CS[C@H]1CN(S(=O)(=O)c2c(Cl)ccc(C)c2Cl)C[C@@H]1[NH+](C)C ZINC000503209411 565013799 /nfs/dbraw/zinc/01/37/99/565013799.db2.gz UFAVGRXDVKVFGQ-RYUDHWBXSA-N 1 0 383.366 2.968 20 0 GFADRO COc1ccc(S(=O)(=O)N2C[C@@H](SC)[C@@H]([NH+](C)C)C2)c(Cl)c1Cl ZINC000503218775 565014870 /nfs/dbraw/zinc/01/48/70/565014870.db2.gz LFWWUBLZMCOGCM-GXSJLCMTSA-N 1 0 399.365 2.668 20 0 GFADRO C[NH+](C)CCOc1cc(CNc2ncccc2I)ccn1 ZINC000535691996 565018970 /nfs/dbraw/zinc/01/89/70/565018970.db2.gz QRVKQPALVYKQKY-UHFFFAOYSA-N 1 0 398.248 2.634 20 0 GFADRO CCOc1nc(C(F)(F)F)ccc1C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000469538903 565020248 /nfs/dbraw/zinc/02/02/48/565020248.db2.gz ZWJMPEOSKJFMCH-HNNXBMFYSA-N 1 0 377.432 2.666 20 0 GFADRO C[C@@H](NC(=O)[C@@H]1CC(=O)Nc2ccc(Br)cc21)C(C)(C)C[NH+](C)C ZINC000469576647 565020903 /nfs/dbraw/zinc/02/09/03/565020903.db2.gz OAMGCORHHFHDKK-BXUZGUMPSA-N 1 0 396.329 2.967 20 0 GFADRO C[C@@H](O)C[N@H+](Cc1ccc(I)cc1Cl)[C@H](C)CO ZINC000503564634 565023310 /nfs/dbraw/zinc/02/33/10/565023310.db2.gz CEWFDMUYCWQGMX-NXEZZACHSA-N 1 0 383.657 2.508 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000562341028 565025009 /nfs/dbraw/zinc/02/50/09/565025009.db2.gz FOGQZIRRKTTZMJ-INIZCTEOSA-N 1 0 394.313 2.829 20 0 GFADRO CC[C@@H](C[N@H+](C)C[C@@H](O)CN1CCOCC1)Oc1ccc(Cl)c(Cl)c1 ZINC000469743606 565025403 /nfs/dbraw/zinc/02/54/03/565025403.db2.gz URTYTXZIZXVYID-CABCVRRESA-N 1 0 391.339 2.776 20 0 GFADRO CCNC(=O)NC(=O)[C@H](C)[N@H+](C)C[C@@H](C)Oc1ccc(Cl)c(Cl)c1 ZINC000469746868 565025926 /nfs/dbraw/zinc/02/59/26/565025926.db2.gz ZRRARUBDFLQLEC-MNOVXSKESA-N 1 0 376.284 2.927 20 0 GFADRO CC[NH+](CC)CC(=O)N1CCN(Cc2ccc(Br)c(F)c2)CC1 ZINC000503699006 565026236 /nfs/dbraw/zinc/02/62/36/565026236.db2.gz TZBJGCQQBSVVMC-UHFFFAOYSA-N 1 0 386.309 2.574 20 0 GFADRO COc1cc(Br)ccc1CCC[N@@H+]1C[C@@H]2CCC[C@H]2[C@@H]1C(N)=O ZINC000469832091 565028580 /nfs/dbraw/zinc/02/85/80/565028580.db2.gz RFEKLJXXIBCNAS-YSVLISHTSA-N 1 0 381.314 2.976 20 0 GFADRO CN(CC1([NH+](C)C)CCC1)C(=O)[C@H]1CC(=O)Nc2ccc(Br)cc21 ZINC000469824624 565028813 /nfs/dbraw/zinc/02/88/13/565028813.db2.gz JJNCEXNGVCAJGK-AWEZNQCLSA-N 1 0 394.313 2.818 20 0 GFADRO CC[N@H+](CCNC(=O)c1cc[nH]c(=O)c1Br)CCC(F)(F)F ZINC000469859596 565030547 /nfs/dbraw/zinc/03/05/47/565030547.db2.gz PGFYIOPHVOBGLK-UHFFFAOYSA-N 1 0 384.196 2.554 20 0 GFADRO O=C(CC[N@@H+]1C[C@H](O)C[C@@H]1[C@@H]1CCCOC1)Nc1ccc(Br)cc1 ZINC000562543313 565032350 /nfs/dbraw/zinc/03/23/50/565032350.db2.gz AJGHQIGTMVXNNO-KBRIMQKVSA-N 1 0 397.313 2.640 20 0 GFADRO COc1cc(F)c(S(=O)(=O)N(C)CC[NH+](C(C)C)C(C)C)cc1OC ZINC000503990283 565032712 /nfs/dbraw/zinc/03/27/12/565032712.db2.gz YPBALKKPPXVDTM-UHFFFAOYSA-N 1 0 376.494 2.582 20 0 GFADRO C[NH+](C)CCCC(C)(C)NC(=O)c1ccc(Cl)c(NS(C)(=O)=O)c1 ZINC000562628292 565036159 /nfs/dbraw/zinc/03/61/59/565036159.db2.gz HQURMHDOHIOBNY-UHFFFAOYSA-N 1 0 375.922 2.562 20 0 GFADRO Cc1ccc(CC(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)cc1Br ZINC000470081405 565037133 /nfs/dbraw/zinc/03/71/33/565037133.db2.gz MCYUJQMBJRFZAR-HNNXBMFYSA-N 1 0 383.330 2.917 20 0 GFADRO O=C(Cc1ccc(I)cc1)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000470162020 565039869 /nfs/dbraw/zinc/03/98/69/565039869.db2.gz BIHDJLKRECSAQR-MRXNPFEDSA-N 1 0 398.288 2.967 20 0 GFADRO CC[C@H](Cc1ccccc1Br)NC(=O)N[C@H]1CC[N@H+](CCOC)C1 ZINC000470181387 565040791 /nfs/dbraw/zinc/04/07/91/565040791.db2.gz BVCOPIKACLJLMK-CVEARBPZSA-N 1 0 398.345 2.790 20 0 GFADRO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)c2cc3c(c(Br)c2)OCO3)C1 ZINC000470225289 565041576 /nfs/dbraw/zinc/04/15/76/565041576.db2.gz YNKBLFATSHLNHN-ZDUSSCGKSA-N 1 0 395.297 2.982 20 0 GFADRO COCC[N@H+](C)CCCNC(=O)NC(C)(C)c1ccc(Br)cc1 ZINC000504582547 565042059 /nfs/dbraw/zinc/04/20/59/565042059.db2.gz OBDXXTXWVGYGBV-UHFFFAOYSA-N 1 0 386.334 2.952 20 0 GFADRO CC(C)(C)NS(=O)(=O)CC[NH2+][C@@H](Cc1ccccc1Cl)[C@@H]1CCCO1 ZINC000562779082 565042415 /nfs/dbraw/zinc/04/24/15/565042415.db2.gz WQKDIXNWDKARNF-IRXDYDNUSA-N 1 0 388.961 2.738 20 0 GFADRO C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)CCNC(=O)Nc1ccc(Br)cc1 ZINC000536606331 565042501 /nfs/dbraw/zinc/04/25/01/565042501.db2.gz IXBFVDHGRMPIKM-QWHCGFSZSA-N 1 0 397.317 2.512 20 0 GFADRO O=C(N[C@H](c1cncc(Br)c1)C1CC1)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000562810420 565043776 /nfs/dbraw/zinc/04/37/76/565043776.db2.gz MVVLUWPPKLHJOG-BBWFWOEESA-N 1 0 393.329 2.983 20 0 GFADRO O=C(NCc1cc(Br)c2c(c1)OCCO2)c1ccc2c(c1)C[NH2+]C2 ZINC000470369358 565044055 /nfs/dbraw/zinc/04/40/55/565044055.db2.gz MHNMQYVGFJUFAW-UHFFFAOYSA-N 1 0 389.249 2.754 20 0 GFADRO Nc1nc(-n2cccn2)cc(N2CCc3cc(Br)cc(F)c3C2)[nH+]1 ZINC000562865674 565045412 /nfs/dbraw/zinc/04/54/12/565045412.db2.gz IMSRWSPXYKJFPR-UHFFFAOYSA-N 1 0 389.232 2.709 20 0 GFADRO C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CCn1cnnc1C1CC1 ZINC000536861911 565048512 /nfs/dbraw/zinc/04/85/12/565048512.db2.gz DZQTXEORFOZIFG-LBPRGKRZSA-N 1 0 392.301 2.925 20 0 GFADRO CCOc1ccc(S(=O)(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1Br ZINC000470605936 565050707 /nfs/dbraw/zinc/05/07/07/565050707.db2.gz KYHFMLPRVMQCLY-RYUDHWBXSA-N 1 0 391.331 2.609 20 0 GFADRO [NH3+]CC1(C(=O)NCc2nc(-c3cccc(Br)c3)no2)CCCC1 ZINC000562977635 565050815 /nfs/dbraw/zinc/05/08/15/565050815.db2.gz DXIHIVPSRUTIIC-UHFFFAOYSA-N 1 0 379.258 2.634 20 0 GFADRO O[C@@H](C[NH2+]CC1CCOCC1)COc1ccc(Cl)cc1Br ZINC000562988661 565051388 /nfs/dbraw/zinc/05/13/88/565051388.db2.gz AFXOVGQKGJEVIS-ZDUSSCGKSA-N 1 0 378.694 2.858 20 0 GFADRO CC(C)OCC[C@@H](O)C[NH2+][C@@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000563003466 565051416 /nfs/dbraw/zinc/05/14/16/565051416.db2.gz UELIHLQYQYSVMX-UKRRQHHQSA-N 1 0 375.296 2.864 20 0 GFADRO CCS(=O)(=O)C[C@H](C)[NH2+]CC1(c2cc(Cl)ccc2OC)CCOCC1 ZINC000537106087 565052655 /nfs/dbraw/zinc/05/26/55/565052655.db2.gz ORURODFMTZQGNR-AWEZNQCLSA-N 1 0 389.945 2.810 20 0 GFADRO O=C(c1ccc(-n2cc(Br)cn2)cc1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000563087221 565055340 /nfs/dbraw/zinc/05/53/40/565055340.db2.gz INIUBLKFHLFPQG-SFHVURJKSA-N 1 0 389.297 2.851 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)CCc2cc(F)ccc2Br)CC12CCOCC2 ZINC000563115212 565056041 /nfs/dbraw/zinc/05/60/41/565056041.db2.gz OCGMVYDFDBBZQL-CQSZACIVSA-N 1 0 399.304 2.735 20 0 GFADRO O=S(=O)(c1ccc2cc(Br)ccc2c1)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000563129380 565057029 /nfs/dbraw/zinc/05/70/29/565057029.db2.gz RVXKNKLRSGLFSO-LSDHHAIUSA-N 1 0 395.322 2.832 20 0 GFADRO OC[C@H](C[NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1)c1ccccc1 ZINC000563142790 565057461 /nfs/dbraw/zinc/05/74/61/565057461.db2.gz PBIBZSLZBXVGQX-WMLDXEAASA-N 1 0 398.272 2.694 20 0 GFADRO NC(=O)[C@H](C[NH2+]Cc1ccc(Br)cn1)Cc1ccccc1Cl ZINC000537414868 565058141 /nfs/dbraw/zinc/05/81/41/565058141.db2.gz XARUDZXXWKQKQC-LBPRGKRZSA-N 1 0 382.689 2.931 20 0 GFADRO O=S1(=O)CC[C@H](CC[NH2+][C@@H](CO)c2ccc(Cl)cc2C(F)(F)F)C1 ZINC000684628506 565077120 /nfs/dbraw/zinc/07/71/20/565077120.db2.gz POYNMQWVQVZPBL-HZMBPMFUSA-N 1 0 385.835 2.807 20 0 GFADRO Cn1ncc(C(=O)NCC2([NH+]3CCSCC3)CCCC2)c1C(F)(F)F ZINC000613689360 565077458 /nfs/dbraw/zinc/07/74/58/565077458.db2.gz JCQDHAYDNYSDLY-UHFFFAOYSA-N 1 0 376.448 2.530 20 0 GFADRO Nc1nc(CC[NH2+]C2(CO)CCSCC2)nc2sc3c(c21)CCCC3 ZINC000657147618 565078214 /nfs/dbraw/zinc/07/82/14/565078214.db2.gz OSAPYJNNDMAWGX-UHFFFAOYSA-N 1 0 378.567 2.543 20 0 GFADRO O=S(=O)(N[C@@H]1CC[N@@H+](C2CCCCC2)C1)c1cccnc1C(F)(F)F ZINC000657161363 565081060 /nfs/dbraw/zinc/08/10/60/565081060.db2.gz OPDLAOGFUKXLRA-GFCCVEGCSA-N 1 0 377.432 2.786 20 0 GFADRO CC[C@H]1C[N@H+](C)CCCN1C(=O)c1cc(Br)c2c(c1)OCCO2 ZINC000684822294 565083902 /nfs/dbraw/zinc/08/39/02/565083902.db2.gz JXURUYZTSFRBFK-ZDUSSCGKSA-N 1 0 383.286 2.777 20 0 GFADRO CCCN(CCC[NH+](C)C)C(=O)c1cc(Br)cc2[nH]c(=O)[nH]c21 ZINC000613867833 565084372 /nfs/dbraw/zinc/08/43/72/565084372.db2.gz JCIHTSCOXRZTFL-UHFFFAOYSA-N 1 0 383.290 2.835 20 0 GFADRO C[C@H](NC(=O)C[N@H+](C)CCc1ccccc1)c1ncc(Br)cn1 ZINC000635959901 565084828 /nfs/dbraw/zinc/08/48/28/565084828.db2.gz VOUSQKPGRLTLGK-ZDUSSCGKSA-N 1 0 377.286 2.591 20 0 GFADRO CCc1n[nH]c(C(=O)N2CCN(C)C[C@@H]2c2ccccc2)c1Br ZINC000584563858 565088207 /nfs/dbraw/zinc/08/82/07/565088207.db2.gz LJOYWRYWPSCIMF-CQSZACIVSA-N 1 0 377.286 2.864 20 0 GFADRO C[C@@H](C[NH3+])N(C)CC(=O)Nc1ccc(Oc2ccc(Br)cc2)nc1 ZINC000584604168 565090533 /nfs/dbraw/zinc/09/05/33/565090533.db2.gz BIAGMDHXINLXIW-LBPRGKRZSA-N 1 0 393.285 2.854 20 0 GFADRO C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N1CCC[C@](O)(C[NH+](C)C)C1 ZINC000614071544 565094594 /nfs/dbraw/zinc/09/45/94/565094594.db2.gz XCXVBUGFBWDDCJ-SJCJKPOMSA-N 1 0 375.296 2.676 20 0 GFADRO CCCOc1c(Br)cc(C[NH2+]C[C@H]2CCCNC2=O)cc1OC ZINC000657287931 565095458 /nfs/dbraw/zinc/09/54/58/565095458.db2.gz IVQDFQWHNMQPNN-CYBMUJFWSA-N 1 0 385.302 2.862 20 0 GFADRO Cc1c(Br)cncc1C[NH2+]Cc1cccnc1N1CCOCC1 ZINC000657306570 565096328 /nfs/dbraw/zinc/09/63/28/565096328.db2.gz MZPQZJHVLGCOSH-UHFFFAOYSA-N 1 0 377.286 2.674 20 0 GFADRO CC(C)S(=O)(=O)N1CCC([NH2+]Cc2cccc(F)c2OC(F)F)CC1 ZINC000657378586 565099428 /nfs/dbraw/zinc/09/94/28/565099428.db2.gz PPFPNYMDAVDUEB-UHFFFAOYSA-N 1 0 380.432 2.719 20 0 GFADRO O[C@@H]1CC[N@H+](Cc2ccccc2CNCc2c(F)cncc2Br)C1 ZINC000657432434 565099659 /nfs/dbraw/zinc/09/96/59/565099659.db2.gz NSOWMELQEYBXON-OAHLLOKOSA-N 1 0 394.288 2.840 20 0 GFADRO Cc1c(Br)cncc1CNC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000657372162 565099904 /nfs/dbraw/zinc/09/99/04/565099904.db2.gz CENZVLCAGBUFDP-IBGZPJMESA-N 1 0 390.325 2.879 20 0 GFADRO COCCOCC[N@H+](C)CCC(=O)N1Cc2ccc(C)c(Br)c2C1 ZINC000636241933 565100571 /nfs/dbraw/zinc/10/05/71/565100571.db2.gz GZBHYUYWOVCUPG-UHFFFAOYSA-N 1 0 399.329 2.585 20 0 GFADRO Brc1ccccc1-n1cc(C[N@@H+]2CC[C@H]([C@@H]3CCOC3)C2)nn1 ZINC000584821365 565100678 /nfs/dbraw/zinc/10/06/78/565100678.db2.gz CWJFUUGDBLKRIZ-UONOGXRCSA-N 1 0 377.286 2.888 20 0 GFADRO CC1CC[NH+]([C@H](CNS(=O)(=O)[C@H]2CCOC[C@H]2C)c2cccs2)CC1 ZINC000685290286 565103057 /nfs/dbraw/zinc/10/30/57/565103057.db2.gz VPTXBUWEBJLKDC-NUJGCVRESA-N 1 0 386.583 2.866 20 0 GFADRO OC[C@@H](C[NH2+]Cc1cnc2n1CCC2)Cc1ccc(F)c(Br)c1 ZINC000657485479 565103313 /nfs/dbraw/zinc/10/33/13/565103313.db2.gz LVLSGCYRWDVNFC-CYBMUJFWSA-N 1 0 382.277 2.672 20 0 GFADRO Cc1cc(Br)c(Cl)cc1NC(=O)C(=O)NC1CC[NH+](C)CC1 ZINC000657510185 565104791 /nfs/dbraw/zinc/10/47/91/565104791.db2.gz IKGUPEURCLWTDN-UHFFFAOYSA-N 1 0 388.693 2.560 20 0 GFADRO C[C@H]([NH2+]C1CCC2(CC1)NC(=O)NC2=O)c1ccc(Br)cc1F ZINC000685448085 565106232 /nfs/dbraw/zinc/10/62/32/565106232.db2.gz GLGDEIJFAABOPJ-BAJKAOOYSA-N 1 0 384.249 2.760 20 0 GFADRO CCS(=O)(=O)N1CCC([C@H](C)[N@H+](C)Cc2nc3c(s2)CCCC3)CC1 ZINC000685475323 565108221 /nfs/dbraw/zinc/10/82/21/565108221.db2.gz JFVIQCSWNDXDRP-AWEZNQCLSA-N 1 0 385.599 2.904 20 0 GFADRO CC[C@H]1C[N@H+](C)CCCN1C(=O)c1cnc2ncc(Br)cc2c1 ZINC000614343705 565108620 /nfs/dbraw/zinc/10/86/20/565108620.db2.gz YFGRLWRXLJMDHD-HNNXBMFYSA-N 1 0 377.286 2.949 20 0 GFADRO CO[C@@H]1CCC[C@@H]([C@H](CO)[NH2+]Cc2cc3c(cc2Br)OCO3)C1 ZINC000657578627 565110077 /nfs/dbraw/zinc/11/00/77/565110077.db2.gz TXPQBPKKMDVHPH-KYOSRNDESA-N 1 0 386.286 2.834 20 0 GFADRO Ic1cccc(CN2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC000585765268 565110092 /nfs/dbraw/zinc/11/00/92/565110092.db2.gz NPGDOAHQOBNQFQ-INIZCTEOSA-N 1 0 386.277 2.588 20 0 GFADRO Cc1cc(Br)c(Cl)cc1NC(=O)C(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000657580644 565110314 /nfs/dbraw/zinc/11/03/14/565110314.db2.gz LBIMRQGVZUBKGK-JTQLQIEISA-N 1 0 388.693 2.560 20 0 GFADRO C[C@@H]1CN(CCC[NH2+]CCC(=O)Nc2ccc(Br)cc2)C[C@@H](C)O1 ZINC000585810798 565111509 /nfs/dbraw/zinc/11/15/09/565111509.db2.gz JOSJSGNADPKVMQ-HUUCEWRRSA-N 1 0 398.345 2.867 20 0 GFADRO O=C(NCC[C@@H](O)C(F)F)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000636496811 565113191 /nfs/dbraw/zinc/11/31/91/565113191.db2.gz AXGXIOBEJWPRBX-OAHLLOKOSA-N 1 0 375.847 2.620 20 0 GFADRO C[NH+](C)C[C@H](NC(=O)NCCCn1cncn1)c1ccc(Cl)c(Cl)c1 ZINC000636531602 565114621 /nfs/dbraw/zinc/11/46/21/565114621.db2.gz JCZVGIWNAWDCOT-HNNXBMFYSA-N 1 0 385.299 2.577 20 0 GFADRO Brc1cc(CN2CCC[N@H+](C[C@@H]3CCCO3)CC2)cc2c1OCO2 ZINC000586767634 565114877 /nfs/dbraw/zinc/11/48/77/565114877.db2.gz DRGIDXXBMMLCPE-HNNXBMFYSA-N 1 0 397.313 2.865 20 0 GFADRO CC[C@H](Cc1cccc(Br)c1)C(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000614507151 565116544 /nfs/dbraw/zinc/11/65/44/565116544.db2.gz NFYMPIDDWOZRCI-SJLPKXTDSA-N 1 0 394.357 2.524 20 0 GFADRO O=C(COc1c(Cl)cc(Cl)cc1Cl)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000614515416 565118073 /nfs/dbraw/zinc/11/80/73/565118073.db2.gz VNKMVUSNKUWWIX-LBPRGKRZSA-N 1 0 392.714 2.532 20 0 GFADRO C[C@@]1(c2ccc(C[NH2+]Cc3ccccc3Br)cc2)NC(=O)NC1=O ZINC000586833746 565119358 /nfs/dbraw/zinc/11/93/58/565119358.db2.gz VMQJDDLCYAEZTE-SFHVURJKSA-N 1 0 388.265 2.794 20 0 GFADRO CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]CC(C)(C)[C@]1(O)CCCOC1 ZINC000657764492 565127897 /nfs/dbraw/zinc/12/78/97/565127897.db2.gz GFNYXLDDIDEEBH-SFHVURJKSA-N 1 0 389.945 2.791 20 0 GFADRO CCCN(CC[NH+]1CCCC1)C(=O)c1cc(Br)cc2[nH]c(=O)[nH]c21 ZINC000614717344 565129688 /nfs/dbraw/zinc/12/96/88/565129688.db2.gz MGXUXOIHOLPARG-UHFFFAOYSA-N 1 0 395.301 2.979 20 0 GFADRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1ccccc1I ZINC000588185488 565130284 /nfs/dbraw/zinc/13/02/84/565130284.db2.gz JMQVGWHOGFEYMZ-IUODEOHRSA-N 1 0 384.261 2.990 20 0 GFADRO C[N@@H+]1CCN(C(=O)c2cc3ncc(Br)cn3n2)C2(CCCCC2)C1 ZINC000636957199 565132024 /nfs/dbraw/zinc/13/20/24/565132024.db2.gz AABLUIYRFFWKLN-UHFFFAOYSA-N 1 0 392.301 2.582 20 0 GFADRO CC[C@H](Cc1ccc(Br)cc1)[NH2+]CCCN(C)S(C)(=O)=O ZINC000657833389 565132867 /nfs/dbraw/zinc/13/28/67/565132867.db2.gz KSFLJQLEZUPKFI-OAHLLOKOSA-N 1 0 377.348 2.641 20 0 GFADRO COC[C@H](CC1CCOCC1)[NH2+]CC(=O)Nc1ccc(Br)cc1 ZINC000657853338 565133506 /nfs/dbraw/zinc/13/35/06/565133506.db2.gz PTUPLABMNUIGMS-INIZCTEOSA-N 1 0 385.302 2.809 20 0 GFADRO COC(=O)c1cc(NC(=O)N[C@H]2CCC[N@H+](C)C2)c(C)cc1Br ZINC000588339300 565133673 /nfs/dbraw/zinc/13/36/73/565133673.db2.gz LIOPTVIIHRTIEP-NSHDSACASA-N 1 0 384.274 2.760 20 0 GFADRO COc1cc(F)c(S(=O)(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)c(F)c1 ZINC000588678468 565137531 /nfs/dbraw/zinc/13/75/31/565137531.db2.gz GYJUBCJHRPKCAQ-BETUJISGSA-N 1 0 376.469 2.620 20 0 GFADRO C[NH+](C)C1(C(=O)N(CCc2ccc(Cl)cc2)C[C@H](O)C(F)(F)F)CC1 ZINC000614942057 565138955 /nfs/dbraw/zinc/13/89/55/565138955.db2.gz DDJPMLLHCBBGES-AWEZNQCLSA-N 1 0 378.822 2.729 20 0 GFADRO O=C1[C@H]([NH2+][C@H]2CCCn3nccc32)CCN1c1cccc(Br)c1 ZINC000657993341 565143673 /nfs/dbraw/zinc/14/36/73/565143673.db2.gz BNWGMNCIHOQMEJ-LSDHHAIUSA-N 1 0 375.270 2.876 20 0 GFADRO CCC[N@H+](CC)C[C@H](C)NC(=O)c1cc(Br)cc2[nH]c(=O)[nH]c21 ZINC000615064843 565144161 /nfs/dbraw/zinc/14/41/61/565144161.db2.gz VCDUVWXNLJNIKB-JTQLQIEISA-N 1 0 383.290 2.881 20 0 GFADRO CC(C)[C@H]([NH2+]CCS(=O)(=O)N(C)C)c1cc(F)cc(Br)c1 ZINC000658018472 565145827 /nfs/dbraw/zinc/14/58/27/565145827.db2.gz IMSHPKXJPFEMGW-AWEZNQCLSA-N 1 0 381.311 2.766 20 0 GFADRO Cc1cc(Br)c(Cl)cc1NC(=O)C(=O)NCC1([NH+](C)C)CC1 ZINC000658018105 565146143 /nfs/dbraw/zinc/14/61/43/565146143.db2.gz FMSLARRKKSCLCX-UHFFFAOYSA-N 1 0 388.693 2.560 20 0 GFADRO CC(C)[C@H](Cc1ccc(Br)cc1)[NH2+][C@@H]1CCN(S(C)(=O)=O)C1 ZINC000658047054 565147714 /nfs/dbraw/zinc/14/77/14/565147714.db2.gz ORKAEVMWCGBGIO-CVEARBPZSA-N 1 0 389.359 2.640 20 0 GFADRO O=C(NCC[NH2+]C1CC1)N1CCc2[nH]c3c(cccc3Br)c2C1 ZINC000637329589 565150196 /nfs/dbraw/zinc/15/01/96/565150196.db2.gz LVFRVWADNQPZOJ-UHFFFAOYSA-N 1 0 377.286 2.750 20 0 GFADRO C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)NCC[NH2+]C2CC2)CC1 ZINC000637349129 565150943 /nfs/dbraw/zinc/15/09/43/565150943.db2.gz YUSNBZZNTPGKIS-CQSZACIVSA-N 1 0 395.345 2.589 20 0 GFADRO Cc1cc(Br)cc(NC(=O)C(=O)NC[C@H]2CC[N@@H+](C(C)(C)C)C2)c1 ZINC000658121746 565151419 /nfs/dbraw/zinc/15/14/19/565151419.db2.gz QLYRCJYIOCARGI-CYBMUJFWSA-N 1 0 396.329 2.933 20 0 GFADRO C[C@H]([NH2+]CCCOC(C)(C)C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000658185226 565154129 /nfs/dbraw/zinc/15/41/29/565154129.db2.gz ALVMBWDCZQQQIY-NSHDSACASA-N 1 0 393.347 2.952 20 0 GFADRO C[N@@H+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000615273348 565154988 /nfs/dbraw/zinc/15/49/88/565154988.db2.gz BUAGZIOSAOMKPR-MLHJIOFPSA-N 1 0 393.325 2.874 20 0 GFADRO COc1cc(C)c(Br)cc1C(=O)N1CCOC[C@@H]1[C@@H]1CCC[N@@H+]1C ZINC000615264186 565155101 /nfs/dbraw/zinc/15/51/01/565155101.db2.gz COSXFAXCEIOBOR-JKSUJKDBSA-N 1 0 397.313 2.701 20 0 GFADRO C[C@H](Cn1cc(Br)ccc1=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000658228735 565155704 /nfs/dbraw/zinc/15/57/04/565155704.db2.gz LRYYWFPDKIOEFH-ZBFHGGJFSA-N 1 0 382.346 2.996 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2cc(Br)ccc2F)C1 ZINC000658261891 565157766 /nfs/dbraw/zinc/15/77/66/565157766.db2.gz PQWFTLCBBHPLSK-LLVKDONJSA-N 1 0 386.265 2.516 20 0 GFADRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)c3cc(Br)cc4c3OCCO4)C2)C1 ZINC000615355109 565159155 /nfs/dbraw/zinc/15/91/55/565159155.db2.gz CTVSDAQOFZPCHC-GOSISDBHSA-N 1 0 395.297 2.778 20 0 GFADRO CCCN1CC[C@H]([NH2+][C@@H]2CCS(=O)(=O)c3ccc(Br)cc32)C1 ZINC000658286189 565159424 /nfs/dbraw/zinc/15/94/24/565159424.db2.gz PYELOEBAUKUFDX-DZGCQCFKSA-N 1 0 387.343 2.742 20 0 GFADRO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]CC1(O)CCC(F)(F)CC1 ZINC000658320689 565160034 /nfs/dbraw/zinc/16/00/34/565160034.db2.gz DGIVNIAUPGSPMZ-NSHDSACASA-N 1 0 379.245 2.529 20 0 GFADRO Cc1cn2c(CNC(=O)C3CC[NH+]([C@@H]4CCSC4)CC3)c(C)nc2s1 ZINC000615397002 565160326 /nfs/dbraw/zinc/16/03/26/565160326.db2.gz NHFXASLSOKABOH-OAHLLOKOSA-N 1 0 378.567 2.846 20 0 GFADRO CCN(C(=O)C(=O)Nc1ccc(Cl)cc1C(F)(F)F)[C@H]1CC[N@H+](C)C1 ZINC000658356353 565160488 /nfs/dbraw/zinc/16/04/88/565160488.db2.gz KNFXBVDYIKYIOB-NSHDSACASA-N 1 0 377.794 2.850 20 0 GFADRO CCCN(C1CC[NH2+]CC1)S(=O)(=O)Cc1cc(F)ccc1Br ZINC000658373192 565162222 /nfs/dbraw/zinc/16/22/22/565162222.db2.gz BIUZZUYJYGXEAV-UHFFFAOYSA-N 1 0 393.322 2.882 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CCCN(S(=O)(=O)c2cc(Cl)ccc2OC(F)(F)F)C1 ZINC000658368536 565162412 /nfs/dbraw/zinc/16/24/12/565162412.db2.gz JFSMEUMJSGLDQV-NXEZZACHSA-N 1 0 386.823 2.987 20 0 GFADRO CCCOc1ccc(Br)cc1S(=O)(=O)N1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000658375570 565163760 /nfs/dbraw/zinc/16/37/60/565163760.db2.gz JGHMVKDUEAIEFE-NEPJUHHUSA-N 1 0 391.331 2.596 20 0 GFADRO C[N@H+]1CC=C(CNC(=O)N[C@@H]2[C@@H]3Cc4c(cccc4Br)[C@@H]32)CC1 ZINC000637599639 565164475 /nfs/dbraw/zinc/16/44/75/565164475.db2.gz HYHZUEWFOKMFSD-HYVNUMGLSA-N 1 0 376.298 2.648 20 0 GFADRO Cc1nn(-c2ccc(C(=O)N3CC(C[NH+](C)C)C3)cc2)c(C)c1Br ZINC000615513738 565164466 /nfs/dbraw/zinc/16/44/66/565164466.db2.gz YCSOMMSURPDXJM-UHFFFAOYSA-N 1 0 391.313 2.885 20 0 GFADRO CCCOc1ccc(Br)cc1S(=O)(=O)NC1(C)CC[NH2+]CC1 ZINC000658381496 565164765 /nfs/dbraw/zinc/16/47/65/565164765.db2.gz RLLHPJCAROGNOM-UHFFFAOYSA-N 1 0 391.331 2.658 20 0 GFADRO [NH3+]CC[C@@H]1CCCN(S(=O)(=O)c2cc(Cl)ccc2OC(F)(F)F)C1 ZINC000658378520 565164863 /nfs/dbraw/zinc/16/48/63/565164863.db2.gz SAVHNIAWSBPSPS-JTQLQIEISA-N 1 0 386.823 2.988 20 0 GFADRO O=S(=O)(C[C@@H]1CCCC1(F)F)N[C@H]1C[NH2+]CC[C@H]1c1cccc(F)c1 ZINC000658392093 565167097 /nfs/dbraw/zinc/16/70/97/565167097.db2.gz UMCXHJMYACXEND-BPUTZDHNSA-N 1 0 376.444 2.626 20 0 GFADRO O=S(=O)(c1sccc1Br)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000658387554 565167168 /nfs/dbraw/zinc/16/71/68/565167168.db2.gz VLDBVMOJGGKKBB-LBPRGKRZSA-N 1 0 393.372 2.911 20 0 GFADRO O=S(=O)(Cc1cc(F)ccc1Br)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000658400733 565167983 /nfs/dbraw/zinc/16/79/83/565167983.db2.gz ZWCYXZIVNNETAX-CYBMUJFWSA-N 1 0 391.306 2.682 20 0 GFADRO O=C(NCC[C@@H]1CC[NH2+]C1)N1CCc2[nH]c3c(cccc3Br)c2C1 ZINC000637670963 565168606 /nfs/dbraw/zinc/16/86/06/565168606.db2.gz RHIMEWDBUMAWNS-LBPRGKRZSA-N 1 0 391.313 2.998 20 0 GFADRO CCSc1ccc(CC(=O)N2CCO[C@@H]([C@H](C)[NH3+])C2)c(Br)c1 ZINC000637866736 565174569 /nfs/dbraw/zinc/17/45/69/565174569.db2.gz PIFOZBHYOJCWBD-XHDPSFHLSA-N 1 0 387.343 2.678 20 0 GFADRO CCC[NH+]1CCC(N(C)C(=O)C(=O)NCc2ccc(Cl)c(Cl)c2)CC1 ZINC000658504123 565174667 /nfs/dbraw/zinc/17/46/67/565174667.db2.gz JXWKJXSMIUNAMI-UHFFFAOYSA-N 1 0 386.323 2.942 20 0 GFADRO CC[NH2+][C@H](C)C(=O)N1CCC(C(=O)Nc2cccc(Br)c2)CC1 ZINC000637968626 565179100 /nfs/dbraw/zinc/17/91/00/565179100.db2.gz FPAVGTQRABITFQ-GFCCVEGCSA-N 1 0 382.302 2.624 20 0 GFADRO CN(CC1(c2ccc(Br)cc2)CC1)C(=O)c1cnc(C[NH3+])nc1 ZINC000638015487 565181367 /nfs/dbraw/zinc/18/13/67/565181367.db2.gz RJQHTDJPGWOZND-UHFFFAOYSA-N 1 0 375.270 2.502 20 0 GFADRO CCCN(C(=O)c1ccc2cncc(Br)c2n1)C1CC[NH2+]CC1 ZINC000638046305 565182059 /nfs/dbraw/zinc/18/20/59/565182059.db2.gz FBXHUPRPXWWDGC-UHFFFAOYSA-N 1 0 377.286 2.997 20 0 GFADRO Cc1[nH][nH]c(=NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)c1Br ZINC000616001418 565183055 /nfs/dbraw/zinc/18/30/55/565183055.db2.gz CARYCXSPAFFXPP-BXUZGUMPSA-N 1 0 377.286 2.609 20 0 GFADRO CC[C@H](C)[NH+]1CCN(C(=O)c2cc(Br)cc3[nH]c(=O)[nH]c32)CC1 ZINC000615983303 565183540 /nfs/dbraw/zinc/18/35/40/565183540.db2.gz AAPFEEUZCNFZCD-JTQLQIEISA-N 1 0 381.274 2.587 20 0 GFADRO COc1ccccc1[C@H]1CC[N@H+](Cc2ccc(S(N)(=O)=O)c(Cl)c2)C1 ZINC000638108749 565185281 /nfs/dbraw/zinc/18/52/81/565185281.db2.gz OKBVOHKDDQIEGB-AWEZNQCLSA-N 1 0 380.897 2.986 20 0 GFADRO O=C(c1cc(Br)cc2nc[nH]c21)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000638238889 565188774 /nfs/dbraw/zinc/18/87/74/565188774.db2.gz JMXAUHPMVQETMH-GFCCVEGCSA-N 1 0 377.286 2.787 20 0 GFADRO Cc1cc(Br)c(F)c(C(=O)N2C[C@H](C[NH3+])C3(C2)CCOCC3)c1 ZINC000638260897 565190058 /nfs/dbraw/zinc/19/00/58/565190058.db2.gz CHVARSAGZFJRFN-LBPRGKRZSA-N 1 0 385.277 2.724 20 0 GFADRO CO[C@@H]1C[NH2+][C@](C)(C(=O)N2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)C1 ZINC000638293678 565190117 /nfs/dbraw/zinc/19/01/17/565190117.db2.gz NIBXRJDYOMILQM-PGUXBMHVSA-N 1 0 377.432 2.635 20 0 GFADRO COc1ccc(Br)c(CNC(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000616094002 565190277 /nfs/dbraw/zinc/19/02/77/565190277.db2.gz SGZQJFAFWQLJKE-GFCCVEGCSA-N 1 0 382.302 2.741 20 0 GFADRO Cc1cc([C@H]2CCCN2C(=O)c2cnc(C[NH3+])nc2)ccc1Br ZINC000638304551 565190973 /nfs/dbraw/zinc/19/09/73/565190973.db2.gz RIPVOLVSPGAEOW-OAHLLOKOSA-N 1 0 375.270 2.984 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+]C2CCN(Cc3ccc(Cl)cc3)CC2)s1 ZINC000638309745 565191567 /nfs/dbraw/zinc/19/15/67/565191567.db2.gz NAIJPOYKKUSZOT-UHFFFAOYSA-N 1 0 399.969 2.803 20 0 GFADRO O=C(c1ccc2cncc(Br)c2n1)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000638330710 565192165 /nfs/dbraw/zinc/19/21/65/565192165.db2.gz SNTMFKGRVQWXOR-WBMJQRKESA-N 1 0 389.297 2.997 20 0 GFADRO COc1cc(C(=O)N2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)ccc1Br ZINC000638345620 565192672 /nfs/dbraw/zinc/19/26/72/565192672.db2.gz XBGVLWLNPUVLOE-HOCLYGCPSA-N 1 0 397.313 2.816 20 0 GFADRO C[NH+](C)CCN1CCC([NH2+]Cc2nc3cc(Br)ccc3o2)CC1 ZINC000638357046 565193943 /nfs/dbraw/zinc/19/39/43/565193943.db2.gz UUGCEQFAMXJLGK-UHFFFAOYSA-N 1 0 381.318 2.706 20 0 GFADRO C[C@H](C[C@@H]1CCCC(=O)N1)[NH2+]C[C@H](O)COc1cccc(Cl)c1Cl ZINC000638424497 565195473 /nfs/dbraw/zinc/19/54/73/565195473.db2.gz AOXBWCKZRDPMQI-AGIUHOORSA-N 1 0 375.296 2.770 20 0 GFADRO C[NH2+]C[C@@H](C)NC(=O)Nc1c(-c2ccc(Br)cc2)c(C)nn1C ZINC000659006301 565198140 /nfs/dbraw/zinc/19/81/40/565198140.db2.gz KBAKLMSHEIUXIR-SNVBAGLBSA-N 1 0 380.290 2.887 20 0 GFADRO O=C(N[C@H]1CC[NH2+]C12CCC2)c1[nH]nc(-c2ccccc2)c1Br ZINC000638505175 565199001 /nfs/dbraw/zinc/19/90/01/565199001.db2.gz TURUNWYLVNOISI-LBPRGKRZSA-N 1 0 375.270 2.854 20 0 GFADRO O=C(N[C@H]1CC[NH2+]C12CCC2)C1(c2ccc(Br)cc2)CCOCC1 ZINC000638503595 565199153 /nfs/dbraw/zinc/19/91/53/565199153.db2.gz SLIWIQCCLNDWAW-INIZCTEOSA-N 1 0 393.325 2.898 20 0 GFADRO COc1ccc(Br)c(C(=O)NCCC[NH2+]CCC[C@H]2CCO2)c1 ZINC000638523520 565200366 /nfs/dbraw/zinc/20/03/66/565200366.db2.gz HUKRPFKANGAVOA-ZDUSSCGKSA-N 1 0 385.302 2.736 20 0 GFADRO Cc1cc(Br)c(Cl)cc1NC(=O)C(=O)N[C@H](C)CCCC[NH3+] ZINC000659084837 565200851 /nfs/dbraw/zinc/20/08/51/565200851.db2.gz PHMNMBBECCCZHH-SNVBAGLBSA-N 1 0 390.709 2.983 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)Cc2ccc(Br)cc2)CC[C@H]1C(F)(F)F ZINC000638551439 565201304 /nfs/dbraw/zinc/20/13/04/565201304.db2.gz WJQBDHAXSDJJBT-DGCLKSJQSA-N 1 0 379.220 2.977 20 0 GFADRO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)Nc1ccc(Br)c(Cl)c1 ZINC000659107379 565201416 /nfs/dbraw/zinc/20/14/16/565201416.db2.gz YSHHVSCFNXZBEY-GFCCVEGCSA-N 1 0 376.682 2.531 20 0 GFADRO COc1cc(Br)c(C[NH2+]C[C@H](OC)C2CCOCC2)cc1OC ZINC000638575691 565202607 /nfs/dbraw/zinc/20/26/07/565202607.db2.gz QTEXLWABQPUUQX-KRWDZBQOSA-N 1 0 388.302 2.998 20 0 GFADRO [NH3+]CC1(NC(=O)CCCSc2ccc(Br)cc2)CCOCC1 ZINC000638634093 565205054 /nfs/dbraw/zinc/20/50/54/565205054.db2.gz AWPTXBQDMWVEPY-UHFFFAOYSA-N 1 0 387.343 2.946 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000638648150 565205863 /nfs/dbraw/zinc/20/58/63/565205863.db2.gz KRGRAWKQEHWSST-RRFJBIMHSA-N 1 0 384.567 2.608 20 0 GFADRO Cc1ccc(CC(=O)N2CCC(CO[C@@H]3CC[NH2+]C3)CC2)cc1Br ZINC000638791945 565212046 /nfs/dbraw/zinc/21/20/46/565212046.db2.gz SZAUSLDNTRZEJB-QGZVFWFLSA-N 1 0 395.341 2.917 20 0 GFADRO [NH3+][C@@H]1Cc2ccccc2N(C(=O)c2cc(Br)cc3c2OCCO3)C1 ZINC000659325349 565212651 /nfs/dbraw/zinc/21/26/51/565212651.db2.gz OWJQJQIKTPTKIB-CYBMUJFWSA-N 1 0 389.249 2.751 20 0 GFADRO O=C(N[C@H]1CC[NH2+]C12CCCC2)c1cc(Br)cc2c1OCCO2 ZINC000659328170 565212936 /nfs/dbraw/zinc/21/29/36/565212936.db2.gz XPBUUBYOQUQVCI-AWEZNQCLSA-N 1 0 381.270 2.625 20 0 GFADRO COc1ccc([C@H](CCO)[NH2+]Cc2cnn3cc(Br)cnc23)cc1 ZINC000638823998 565213431 /nfs/dbraw/zinc/21/34/31/565213431.db2.gz QZQHNSQPSOKGBX-INIZCTEOSA-N 1 0 391.269 2.714 20 0 GFADRO COC(=O)[C@H]1CSCC[N@H+](C[C@@H](O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000591059620 565214344 /nfs/dbraw/zinc/21/43/44/565214344.db2.gz IHLOZGOUBAUMPG-VXGBXAGGSA-N 1 0 394.320 2.571 20 0 GFADRO Cc1nn(C)c(C)c1CCC[NH2+]Cc1cnn2cc(Br)cnc12 ZINC000638830594 565214665 /nfs/dbraw/zinc/21/46/65/565214665.db2.gz GCVQICNIQPOGDP-UHFFFAOYSA-N 1 0 377.290 2.565 20 0 GFADRO C[C@@H](C[C@@H]1CCCC(=O)N1)[NH2+]Cc1nnc(-c2ccc(Br)cc2)[nH]1 ZINC000638886222 565215209 /nfs/dbraw/zinc/21/52/09/565215209.db2.gz KCZAHOOCDDHSBW-FZMZJTMJSA-N 1 0 392.301 2.771 20 0 GFADRO COc1cc(NC(=O)C[NH2+]C[C@H]2CCCO2)c(Cl)cc1Br ZINC000659382377 565215981 /nfs/dbraw/zinc/21/59/81/565215981.db2.gz OQCPTEURLFGQOL-SECBINFHSA-N 1 0 377.666 2.818 20 0 GFADRO COc1ccc(NC(=O)[C@]2([NH3+])[C@H]3CCCO[C@H]3C2(C)C)c(Br)c1 ZINC000638852367 565216047 /nfs/dbraw/zinc/21/60/47/565216047.db2.gz BKDPJXLJZJOADC-FABXCBLPSA-N 1 0 383.286 2.929 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)c2cc(Br)cc3[nH]c(=O)[nH]c32)C1 ZINC000617002416 565217725 /nfs/dbraw/zinc/21/77/25/565217725.db2.gz GHLUAIPIKSMNHF-SNVBAGLBSA-N 1 0 395.301 2.881 20 0 GFADRO COc1cc(Br)c(CNC(=O)NCC[C@@H]([NH3+])C(C)C)cc1OC ZINC000659449408 565218141 /nfs/dbraw/zinc/21/81/41/565218141.db2.gz ZSLFRWSQEFLPOJ-CYBMUJFWSA-N 1 0 388.306 2.639 20 0 GFADRO CCCOC[C@@H](Cc1cccc(Br)c1)NC(=O)N[C@H](C)C[NH2+]C ZINC000659482246 565218408 /nfs/dbraw/zinc/21/84/08/565218408.db2.gz LMEHJUTVWJKXDZ-CZUORRHYSA-N 1 0 386.334 2.694 20 0 GFADRO C[C@H](NC(=O)N(C)CC(C)(C)[NH3+])c1cc2c(cc1Br)OCCO2 ZINC000659439591 565218466 /nfs/dbraw/zinc/21/84/66/565218466.db2.gz HTPXPCQPAVDSCE-JTQLQIEISA-N 1 0 386.290 2.660 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCO[C@H]1c1cncc(Br)c1 ZINC000617005896 565218784 /nfs/dbraw/zinc/21/87/84/565218784.db2.gz QMMZDOOLKGHNNP-XHSDSOJGSA-N 1 0 396.329 2.911 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)c1cc(Br)cc2c1OCCO2 ZINC000617005087 565219121 /nfs/dbraw/zinc/21/91/21/565219121.db2.gz CHAOZOHRYMDGIP-GFCCVEGCSA-N 1 0 383.286 2.823 20 0 GFADRO Cn1nc2c(c1NC(=O)[C@@](C)([NH3+])c1ccc(Br)cc1)CCCC2 ZINC000638988124 565220119 /nfs/dbraw/zinc/22/01/19/565220119.db2.gz BZPYPZTYVNQSDN-KRWDZBQOSA-N 1 0 377.286 2.874 20 0 GFADRO O=C(N[C@H]1CCCCc2cc(Br)ccc21)N1CCOC2(C[NH2+]C2)C1 ZINC000659628346 565221029 /nfs/dbraw/zinc/22/10/29/565221029.db2.gz OUOBXWKJLZBKML-INIZCTEOSA-N 1 0 394.313 2.600 20 0 GFADRO O=C(NCC12CC(C1)C[NH2+]2)N1CCC(Nc2cccc(Br)c2)CC1 ZINC000659615271 565221143 /nfs/dbraw/zinc/22/11/43/565221143.db2.gz XTFHZYYZASBOIJ-UHFFFAOYSA-N 1 0 393.329 2.787 20 0 GFADRO [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)NCc1ccc(Cl)c(Cl)c1 ZINC000659599942 565221558 /nfs/dbraw/zinc/22/15/58/565221558.db2.gz RBVDWPOZGQIXLC-CYBMUJFWSA-N 1 0 387.311 2.523 20 0 GFADRO O=C(Nc1ccc(F)cc1I)N[C@@H]1CCC[NH2+]CC1 ZINC000591288422 565221867 /nfs/dbraw/zinc/22/18/67/565221867.db2.gz MWAZLVSZRSAECO-SNVBAGLBSA-N 1 0 377.201 2.694 20 0 GFADRO Cc1c(C(=O)N[C@H]2CC[C@H]([NH3+])CC2)cnn1-c1cccc(Br)c1 ZINC000639031416 565222030 /nfs/dbraw/zinc/22/20/30/565222030.db2.gz UMLMBUYTYQUXFC-HDJSIYSDSA-N 1 0 377.286 2.943 20 0 GFADRO Cc1ccc(CNC(=O)c2cn([C@@H]3CCC[NH2+]CC3)nn2)cc1Br ZINC000639036014 565222046 /nfs/dbraw/zinc/22/20/46/565222046.db2.gz LZQBKQVJJCOCEJ-CQSZACIVSA-N 1 0 392.301 2.594 20 0 GFADRO COC(=O)c1cc(Br)c(F)cc1NC(=O)N1CCC(C)([NH3+])CC1 ZINC000591297909 565222489 /nfs/dbraw/zinc/22/24/89/565222489.db2.gz WTLNKBDGGKAZMR-UHFFFAOYSA-N 1 0 388.237 2.720 20 0 GFADRO Cc1cc(Br)cn2cc(CC[NH2+][C@@H](C)C[C@H]3CCCC(=O)N3)nc12 ZINC000639060571 565223378 /nfs/dbraw/zinc/22/33/78/565223378.db2.gz NLTXZULIICJDFH-DZGCQCFKSA-N 1 0 393.329 2.985 20 0 GFADRO CC(C)[C@H](C[NH2+]Cc1cnn2cc(Br)cnc12)c1ccnn1C ZINC000639095185 565224366 /nfs/dbraw/zinc/22/43/66/565224366.db2.gz KMKOWUDDXROMGK-AWEZNQCLSA-N 1 0 377.290 2.755 20 0 GFADRO CC(C)n1ncc2c1C[C@@H]([NH2+]Cc1cnn3cc(Br)cnc13)CC2 ZINC000639097772 565224936 /nfs/dbraw/zinc/22/49/36/565224936.db2.gz BIKCOVJOUQJHKM-HNNXBMFYSA-N 1 0 389.301 2.916 20 0 GFADRO OC[C@]1(C[NH2+]Cc2cnn3cc(Br)cnc23)C[C@@H]1c1ccccc1 ZINC000639191748 565231942 /nfs/dbraw/zinc/23/19/42/565231942.db2.gz YNXCIIQOBVRNIZ-SJLPKXTDSA-N 1 0 387.281 2.748 20 0 GFADRO CN(C(=O)c1cc(I)cc(C(F)(F)F)c1)C1CC([NH3+])C1 ZINC000592339577 565270239 /nfs/dbraw/zinc/27/02/39/565270239.db2.gz WWJNBFNHVSOOBR-UHFFFAOYSA-N 1 0 398.166 2.872 20 0 GFADRO COc1nsc(C[NH2+][C@@H]2CCO[C@@H](c3nccn3C)C2)c1Br ZINC000639242740 565235398 /nfs/dbraw/zinc/23/53/98/565235398.db2.gz RXIOSEUHYYILQX-NXEZZACHSA-N 1 0 387.303 2.658 20 0 GFADRO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+]C[C@@H](OC)C2CCOCC2)c1 ZINC000639260991 565235777 /nfs/dbraw/zinc/23/57/77/565235777.db2.gz CFIWNZRGQCCCPL-QGZVFWFLSA-N 1 0 375.918 2.665 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H](CNC(=O)c2c(F)cccc2I)C1 ZINC000591685067 565236217 /nfs/dbraw/zinc/23/62/17/565236217.db2.gz GOUFIJRQNBDHAX-NXEZZACHSA-N 1 0 376.213 2.678 20 0 GFADRO C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCCN2C(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000617414632 565236654 /nfs/dbraw/zinc/23/66/54/565236654.db2.gz NIICCXIBKHJPLG-BBRMVZONSA-N 1 0 384.307 2.808 20 0 GFADRO CN1CC[C@H]([NH2+]CCN2CCCC2=O)C[C@@H]1c1ccc(Br)cc1 ZINC000639293608 565237097 /nfs/dbraw/zinc/23/70/97/565237097.db2.gz FIWOLFMQRSXCLW-DLBZAZTESA-N 1 0 380.330 2.796 20 0 GFADRO Cn1cnc(CCC[NH2+][C@H]2CCN(C)[C@H](c3ccc(Br)cc3)C2)n1 ZINC000639299254 565238049 /nfs/dbraw/zinc/23/80/49/565238049.db2.gz RVKKVYKSGGDTBF-IRXDYDNUSA-N 1 0 392.345 2.935 20 0 GFADRO CCN1CC[C@@H]([NH+]2CCC(C(=O)Nc3ccc(Br)cc3)CC2)C1=O ZINC000660049760 565243101 /nfs/dbraw/zinc/24/31/01/565243101.db2.gz XZBBDSHLBRWCNL-MRXNPFEDSA-N 1 0 394.313 2.720 20 0 GFADRO CCN(C(=O)c1ccn(-c2cccc(Br)c2)n1)[C@H]1CC[N@H+](C)C1 ZINC000617555403 565245430 /nfs/dbraw/zinc/24/54/30/565245430.db2.gz VUPJUAXSNJIXCO-HNNXBMFYSA-N 1 0 377.286 2.801 20 0 GFADRO CCCNC(=O)C1CC[NH+](C[C@@H](O)COc2cc(Cl)cc(Cl)c2)CC1 ZINC000639438998 565245464 /nfs/dbraw/zinc/24/54/64/565245464.db2.gz GIRRAXOWQODUJZ-MRXNPFEDSA-N 1 0 389.323 2.971 20 0 GFADRO CCN(C(=O)COc1ccc(Br)cc1C(C)=O)[C@@H]1CC[N@H+](C)C1 ZINC000617551039 565245634 /nfs/dbraw/zinc/24/56/34/565245634.db2.gz JQHBNLCWSHFHIR-CQSZACIVSA-N 1 0 383.286 2.583 20 0 GFADRO CCN(C(=O)[C@H]1CCN(c2cc(Cl)ccc2Cl)C1=O)[C@H]1CC[N@H+](C)C1 ZINC000617555723 565246006 /nfs/dbraw/zinc/24/60/06/565246006.db2.gz AOKIKVVGOAIWLP-UONOGXRCSA-N 1 0 384.307 2.899 20 0 GFADRO CCN(C(=O)[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)[C@@H]1CC[N@H+](C)C1 ZINC000617556077 565247053 /nfs/dbraw/zinc/24/70/53/565247053.db2.gz JISQXMKCBCMXOT-ZIAGYGMSSA-N 1 0 384.307 2.899 20 0 GFADRO CN(CCC[NH+](C)C)CCNC(=O)C1(c2ccc(Br)cc2)CCC1 ZINC000617767919 565257814 /nfs/dbraw/zinc/25/78/14/565257814.db2.gz IFKKJGYTLNFKAM-UHFFFAOYSA-N 1 0 396.373 2.871 20 0 GFADRO CN(Cc1ccc(Cl)s1)C(=O)C[NH2+][C@@H]([C@H]1CCCO1)C1(CO)CCC1 ZINC000639768133 565258367 /nfs/dbraw/zinc/25/83/67/565258367.db2.gz ANRKKLAMIGXUDZ-PBHICJAKSA-N 1 0 386.945 2.660 20 0 GFADRO CCN(C(=O)c1cc(Br)c2c(c1)OCCO2)[C@@H]1CC[N@H+](CC)C1 ZINC000617929527 565268063 /nfs/dbraw/zinc/26/80/63/565268063.db2.gz LJBOCYARTOKLPE-CYBMUJFWSA-N 1 0 383.286 2.777 20 0 GFADRO OCCC1(CCO)CC[NH+](C[C@@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000640015057 565274962 /nfs/dbraw/zinc/27/49/62/565274962.db2.gz PYVDMRXNAYHZQY-CQSZACIVSA-N 1 0 392.323 2.580 20 0 GFADRO O=C(CCOc1ccc(Cl)cc1Cl)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000592412481 565274990 /nfs/dbraw/zinc/27/49/90/565274990.db2.gz PMEMWYJFECWJSR-HZPDHXFCSA-N 1 0 387.307 2.820 20 0 GFADRO O=C(N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)C1(c2ccc(Br)cc2)CC1 ZINC000592406936 565275143 /nfs/dbraw/zinc/27/51/43/565275143.db2.gz SYRIMIFTNLIQNQ-IRXDYDNUSA-N 1 0 393.325 2.538 20 0 GFADRO C[C@H](C[C@H](C)[NH3+])NC(=O)Nc1cc(F)c(I)c(F)c1 ZINC000592422796 565275735 /nfs/dbraw/zinc/27/57/35/565275735.db2.gz NAKALAPVDIXQNC-NKWVEPMBSA-N 1 0 383.180 2.817 20 0 GFADRO COC(=O)[C@H]1C[NH2+]CCCN1Cc1cc(Br)cc(C(F)(F)F)c1 ZINC000592434515 565276862 /nfs/dbraw/zinc/27/68/62/565276862.db2.gz KQXUXOLQBGINMP-CYBMUJFWSA-N 1 0 395.219 2.805 20 0 GFADRO C[C@@H](C(=O)N1CCC[C@H]1c1cccs1)N1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000640054625 565277281 /nfs/dbraw/zinc/27/72/81/565277281.db2.gz PHELPMPPMRGTBB-FQUUOJAGSA-N 1 0 376.444 2.903 20 0 GFADRO C[N@H+](CC(=O)N1CCN(c2ccc(Br)cc2)CC1)[C@@H]1CCSC1 ZINC000618180987 565278192 /nfs/dbraw/zinc/27/81/92/565278192.db2.gz WHSDEJHGZRXGEN-MRXNPFEDSA-N 1 0 398.370 2.535 20 0 GFADRO COc1cc(NC(=O)c2cnn3c2[C@@H](C[NH3+])CCC3)ccc1Br ZINC000592488468 565278904 /nfs/dbraw/zinc/27/89/04/565278904.db2.gz POUUGBFIHPIPNF-SNVBAGLBSA-N 1 0 379.258 2.743 20 0 GFADRO Cc1c(C(=O)N(C)CC2C[NH+](C)C2)cnn1-c1ccc(Br)cc1 ZINC000618196454 565279168 /nfs/dbraw/zinc/27/91/68/565279168.db2.gz YIWHFWCXWAYGPS-UHFFFAOYSA-N 1 0 377.286 2.577 20 0 GFADRO CN(CC1C[NH+](C)C1)C(=O)c1coc(-c2ccc(Br)cc2F)n1 ZINC000618191790 565279321 /nfs/dbraw/zinc/27/93/21/565279321.db2.gz SMCRZTXHQHYPRR-UHFFFAOYSA-N 1 0 382.233 2.877 20 0 GFADRO COCc1c(Br)cccc1NC(=O)c1cnn2c1[C@H](C[NH3+])CCC2 ZINC000592500153 565279734 /nfs/dbraw/zinc/27/97/34/565279734.db2.gz DWXJBIBJMLJUAE-NSHDSACASA-N 1 0 393.285 2.880 20 0 GFADRO C[N@@H+]1CCN(C(=O)Nc2ccc3nccnc3c2Br)CC1(C)C ZINC000640133310 565279800 /nfs/dbraw/zinc/27/98/00/565279800.db2.gz UVAXVADBPDTRMZ-UHFFFAOYSA-N 1 0 378.274 2.950 20 0 GFADRO CN(C[C@@H]1CCCN(Cc2cc(F)ccc2OC(F)F)C1)S(C)(=O)=O ZINC000660535710 565281375 /nfs/dbraw/zinc/28/13/75/565281375.db2.gz YUTLUDQJRGCECD-LBPRGKRZSA-N 1 0 380.432 2.531 20 0 GFADRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)Nc1cscc1Br ZINC000640188418 565286672 /nfs/dbraw/zinc/28/66/72/565286672.db2.gz ZSMIRFYQRPDTJV-SNVBAGLBSA-N 1 0 376.320 2.820 20 0 GFADRO Cc1ccc2c(c1Br)CN(C(=O)NCC1([NH+](C)C)CCOCC1)C2 ZINC000660709751 565290719 /nfs/dbraw/zinc/29/07/19/565290719.db2.gz NMTGPNCATWPFSI-UHFFFAOYSA-N 1 0 396.329 2.894 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2nn(CC(F)(F)F)cc2Cl)C[C@@H]1C ZINC000640294446 565295269 /nfs/dbraw/zinc/29/52/69/565295269.db2.gz CNZBSTSJEUHXBF-QWRGUYRKSA-N 1 0 381.830 3.435 20 0 GFADRO O=C(Cc1ccc(F)c(Br)c1)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000618373112 565297730 /nfs/dbraw/zinc/29/77/30/565297730.db2.gz BIAUZULTPSCPII-HNNXBMFYSA-N 1 0 399.304 2.844 20 0 GFADRO O=C(N[C@@H](CO)C[NH+]1CCCC1)c1cc(C(F)(F)F)ccc1Br ZINC000640321962 565302187 /nfs/dbraw/zinc/30/21/87/565302187.db2.gz NJWLACGZQRZPPP-LLVKDONJSA-N 1 0 395.219 2.654 20 0 GFADRO [NH3+]CCCn1cc(C(=O)NCCSCc2ccc(Cl)cc2Cl)nn1 ZINC000592963971 565305055 /nfs/dbraw/zinc/30/50/55/565305055.db2.gz XPHDORBMGIMUBG-UHFFFAOYSA-N 1 0 388.324 2.597 20 0 GFADRO CC(C)Oc1cc(NC(=O)NC[C@H]2C[N@H+](C)CCN2C)ccc1Br ZINC000640440651 565308509 /nfs/dbraw/zinc/30/85/09/565308509.db2.gz DXKHVTNQJQAPNR-AWEZNQCLSA-N 1 0 399.333 2.604 20 0 GFADRO O=C(NCc1ccsc1Br)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000661133299 565308988 /nfs/dbraw/zinc/30/89/88/565308988.db2.gz RWBIFRBDRYAHHF-CYBMUJFWSA-N 1 0 388.331 2.563 20 0 GFADRO [NH3+]C1(CNC(=O)N2CCc3[nH]c4c(cccc4Br)c3C2)CCC1 ZINC000640455485 565310607 /nfs/dbraw/zinc/31/06/07/565310607.db2.gz BQMDRUJSCFGWFW-UHFFFAOYSA-N 1 0 377.286 2.880 20 0 GFADRO CC[NH+]1CCN(CCC(=O)Nc2ccc(Br)c3ncccc23)CC1 ZINC000618878186 565320746 /nfs/dbraw/zinc/32/07/46/565320746.db2.gz UTKLSULDCDPMOI-UHFFFAOYSA-N 1 0 391.313 2.963 20 0 GFADRO C[NH+](C)CCc1cn(CC(=O)Nc2ccc(Cl)cc2C(F)(F)F)nn1 ZINC000640762415 565325935 /nfs/dbraw/zinc/32/59/35/565325935.db2.gz VAAKOGNJBJXTLV-UHFFFAOYSA-N 1 0 375.782 2.693 20 0 GFADRO CC(C)N(C(=O)Cn1cc([C@H]([NH3+])c2ccc(Br)cc2)nn1)C(C)C ZINC000640794798 565327293 /nfs/dbraw/zinc/32/72/93/565327293.db2.gz QLLJYTCMPHVIKF-QGZVFWFLSA-N 1 0 394.317 2.734 20 0 GFADRO CC(C)N(C(=O)Cn1cc([C@@H]([NH3+])c2ccc(Br)cc2)nn1)C(C)C ZINC000640794797 565327998 /nfs/dbraw/zinc/32/79/98/565327998.db2.gz QLLJYTCMPHVIKF-KRWDZBQOSA-N 1 0 394.317 2.734 20 0 GFADRO Cc1cc(NC(=O)[C@H](C)[N@@H+]2CC[C@H]3NC(=O)CC[C@H]3C2)ccc1Br ZINC000661598566 565330466 /nfs/dbraw/zinc/33/04/66/565330466.db2.gz PSZBTGLFUNPCSH-HEHGZKQESA-N 1 0 394.313 2.685 20 0 GFADRO C[C@H](NC(=O)C[N@@H+]1CCC[C@](O)(C2CC2)C1)c1ccc(Br)cc1 ZINC000661634532 565332043 /nfs/dbraw/zinc/33/20/43/565332043.db2.gz HSIDTGDLPQHPQS-SCLBCKFNSA-N 1 0 381.314 2.863 20 0 GFADRO [NH3+]C1CCN(CCc2cn(CCOc3cc(Cl)ccc3Cl)nn2)CC1 ZINC000640859420 565332458 /nfs/dbraw/zinc/33/24/58/565332458.db2.gz HSYDAWYSUCLLJN-UHFFFAOYSA-N 1 0 384.311 2.630 20 0 GFADRO CC[C@@](C)([NH3+])c1cn(CC(=O)Nc2c(F)cc(F)cc2Br)nn1 ZINC000640895706 565335307 /nfs/dbraw/zinc/33/53/07/565335307.db2.gz PJONHMCIPWUMGF-CQSZACIVSA-N 1 0 388.216 2.541 20 0 GFADRO Cc1cc(N2CCC[C@@H]([N@@H+]3CC[C@@]4(O)C[C@H]4C3)C2=O)ccc1Br ZINC000661722504 565335599 /nfs/dbraw/zinc/33/55/99/565335599.db2.gz IBICYZRDTRNPQC-FDQGKXFDSA-N 1 0 379.298 2.710 20 0 GFADRO CC[C@H]([NH2+]CC(=O)N(C)CC(=O)Nc1ccc(Br)cc1C)C1CC1 ZINC000661758675 565338016 /nfs/dbraw/zinc/33/80/16/565338016.db2.gz OSOGZSBVIIDHHK-HNNXBMFYSA-N 1 0 396.329 2.933 20 0 GFADRO COCC[NH2+]CCc1cn(Cc2csc(-c3ccc(Cl)cc3)n2)nn1 ZINC000640952123 565338533 /nfs/dbraw/zinc/33/85/33/565338533.db2.gz HRLOPWGYARKHBG-UHFFFAOYSA-N 1 0 377.901 2.882 20 0 GFADRO CC[NH2+]Cc1ccn(Cc2cn(Cc3cc(F)ccc3Br)nn2)n1 ZINC000640935750 565339057 /nfs/dbraw/zinc/33/90/57/565339057.db2.gz WHAMVOGJSPJNDF-UHFFFAOYSA-N 1 0 393.264 2.582 20 0 GFADRO COc1ccc(Cn2cc(C[C@@H]3CCC[NH2+]C3)nn2)c(Br)c1OC ZINC000640988959 565339706 /nfs/dbraw/zinc/33/97/06/565339706.db2.gz FVPUBRFMDWMHEO-LBPRGKRZSA-N 1 0 395.301 2.648 20 0 GFADRO CC[C@H]([NH2+]CC1(S(C)(=O)=O)CC1)c1ccc(I)cc1 ZINC000619466041 565342258 /nfs/dbraw/zinc/34/22/58/565342258.db2.gz RPKLDTOPUARSHU-ZDUSSCGKSA-N 1 0 393.290 2.909 20 0 GFADRO [NH3+][C@@H](c1cn(CCOc2ccccc2Br)nn1)C1CCOCC1 ZINC000641058008 565343675 /nfs/dbraw/zinc/34/36/75/565343675.db2.gz IRZQMIBIECRWIX-MRXNPFEDSA-N 1 0 381.274 2.546 20 0 GFADRO COCCN(Cc1cc(Br)cs1)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000641043386 565343759 /nfs/dbraw/zinc/34/37/59/565343759.db2.gz OVMWNYRJSQRHGE-CYBMUJFWSA-N 1 0 390.347 2.811 20 0 GFADRO CS[C@@H](C)CNC(=O)C(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000593572490 565344270 /nfs/dbraw/zinc/34/42/70/565344270.db2.gz NRBUHJOTYKZLHU-AWEZNQCLSA-N 1 0 381.567 2.681 20 0 GFADRO C[NH+](C)CCc1cn(Cc2ncc(-c3ccccc3Br)o2)nn1 ZINC000641065009 565345127 /nfs/dbraw/zinc/34/51/27/565345127.db2.gz ZBJRYTXAUFIVQN-UHFFFAOYSA-N 1 0 376.258 2.848 20 0 GFADRO O[C@H](COc1ccc(Cl)cc1Br)C[N@@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC000662040359 565346325 /nfs/dbraw/zinc/34/63/25/565346325.db2.gz XLQUOJOXBGMLQF-DYEKYZERSA-N 1 0 390.705 2.811 20 0 GFADRO CC(C)NC(=O)[C@H]1CCC[N@H+](C[C@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000662117449 565351685 /nfs/dbraw/zinc/35/16/85/565351685.db2.gz GGJKXYYCHOSWDC-KBPBESRZSA-N 1 0 389.323 2.970 20 0 GFADRO FC(F)(F)c1ncnc(N2CCN(c3cc[nH+]cc3)CC2)c1Br ZINC000641266362 565356855 /nfs/dbraw/zinc/35/68/55/565356855.db2.gz DENFAUTYDIIYFA-UHFFFAOYSA-N 1 0 388.191 2.980 20 0 GFADRO C[N@@H+](CC1=CCSC1)C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000662263887 565357481 /nfs/dbraw/zinc/35/74/81/565357481.db2.gz NSBPVCXGGSWAMV-CQSZACIVSA-N 1 0 376.291 2.933 20 0 GFADRO COc1ncc(Br)cc1CN1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000662281230 565358127 /nfs/dbraw/zinc/35/81/27/565358127.db2.gz KPJWJEBJOUIQOS-HOTGVXAUSA-N 1 0 384.318 2.571 20 0 GFADRO COc1ccc(NC(=O)N2C[C@@H](SC)[C@@H]([NH+](C)C)C2)c(C(F)(F)F)n1 ZINC000619798149 565360142 /nfs/dbraw/zinc/36/01/42/565360142.db2.gz UWEAIEMZVNPIQZ-WDEREUQCSA-N 1 0 378.420 2.618 20 0 GFADRO C[NH+](C)CCC[C@@H]1CN(Cc2cc3c(cc2Br)OCCO3)CCO1 ZINC000662318005 565360316 /nfs/dbraw/zinc/36/03/16/565360316.db2.gz VVBYSVBMUMTGLH-OAHLLOKOSA-N 1 0 399.329 2.763 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CN1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662323655 565361037 /nfs/dbraw/zinc/36/10/37/565361037.db2.gz ZTTRMCRTTLPINZ-INIZCTEOSA-N 1 0 398.345 2.739 20 0 GFADRO C[NH+](C)Cc1ccccc1CNC(=O)[C@@H](N)c1ccccc1Br ZINC000662354392 565361531 /nfs/dbraw/zinc/36/15/31/565361531.db2.gz FKYIWJNQXJVZNE-KRWDZBQOSA-N 1 0 376.298 2.827 20 0 GFADRO CCC[N@@H+]1CC[C@H](NC(=O)Cc2csc(NC(=O)c3cccs3)n2)C1 ZINC000619894742 565361580 /nfs/dbraw/zinc/36/15/80/565361580.db2.gz OVAFPGDUUSLDJI-LBPRGKRZSA-N 1 0 378.523 2.600 20 0 GFADRO C[NH+](C)C1CC(NC(=O)c2ccc(Cl)c(I)c2)C1 ZINC000619879722 565362212 /nfs/dbraw/zinc/36/22/12/565362212.db2.gz WQVRTWOYCGIMQM-UHFFFAOYSA-N 1 0 378.641 2.767 20 0 GFADRO CCOC(=O)[C@H](Cc1cc(Cl)cc(Cl)c1)NC(=O)[C@H]1CCC[NH2+]CC1 ZINC000593905231 565367599 /nfs/dbraw/zinc/36/75/99/565367599.db2.gz AKTKEGZLQVVITP-BBRMVZONSA-N 1 0 387.307 2.974 20 0 GFADRO O=C(NCc1ccc(I)c(Cl)c1)[C@@H]1CCC[NH2+]CC1 ZINC000593908023 565367829 /nfs/dbraw/zinc/36/78/29/565367829.db2.gz YOHKDCOMNKXNFB-LLVKDONJSA-N 1 0 392.668 2.951 20 0 GFADRO CCn1c(CC[NH3+])nnc1Sc1ncnc(C(F)(F)F)c1Br ZINC000641415790 565371960 /nfs/dbraw/zinc/37/19/60/565371960.db2.gz ZDHPNZWWHBPDAH-UHFFFAOYSA-N 1 0 397.224 2.522 20 0 GFADRO N[C@H](C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)c1ccccc1Br ZINC000662505969 565372983 /nfs/dbraw/zinc/37/29/83/565372983.db2.gz WRHNBMVODLPKSI-XWIAVFTESA-N 1 0 392.341 2.924 20 0 GFADRO COc1ccc(Br)c(CNC(=O)[C@@]2(C(F)(F)F)CC[NH2+]C2)c1 ZINC000662513299 565374062 /nfs/dbraw/zinc/37/40/62/565374062.db2.gz SBZXECGEJGTWOI-CYBMUJFWSA-N 1 0 381.192 2.616 20 0 GFADRO C[C@@H](NC(=O)[C@@H]1[NH2+]CCC1(C)C)c1cc2c(cc1Br)OCCO2 ZINC000662514714 565374091 /nfs/dbraw/zinc/37/40/91/565374091.db2.gz OJYIPKIBFGNNSI-BMIGLBTASA-N 1 0 383.286 2.786 20 0 GFADRO [NH3+]C1(CC(=O)N2CCC(C(=O)Nc3cccc(Br)c3)CC2)CC1 ZINC000662550630 565376127 /nfs/dbraw/zinc/37/61/27/565376127.db2.gz DZAWQVIMWQWJGA-UHFFFAOYSA-N 1 0 380.286 2.508 20 0 GFADRO CCO[C@@H](CC[NH+](C)C)CNC(=O)[C@H](NC)c1cccc(Cl)c1Cl ZINC000662536389 565376322 /nfs/dbraw/zinc/37/63/22/565376322.db2.gz LIJCGZJMRNZJQU-BLLLJJGKSA-N 1 0 376.328 2.727 20 0 GFADRO O=C(c1c[nH]nc1[C@@H]1CC[NH2+]C1)N1CCc2c(Br)ccc(F)c2C1 ZINC000662539753 565376337 /nfs/dbraw/zinc/37/63/37/565376337.db2.gz JNCJPPKNMKHUHP-SNVBAGLBSA-N 1 0 393.260 2.587 20 0 GFADRO [NH3+][C@@H]1CCO[C@H](C2CCN(C(=O)Cc3ccc(Br)cc3F)CC2)C1 ZINC000662576113 565378370 /nfs/dbraw/zinc/37/83/70/565378370.db2.gz RQHGUJXESNSNGZ-WBVHZDCISA-N 1 0 399.304 2.876 20 0 GFADRO [NH3+][C@@H]1CCO[C@@H](C2CCN(C(=O)Cc3ccc(Br)cc3F)CC2)C1 ZINC000662575935 565378435 /nfs/dbraw/zinc/37/84/35/565378435.db2.gz RQHGUJXESNSNGZ-NVXWUHKLSA-N 1 0 399.304 2.876 20 0 GFADRO O=C(c1cccc2c1CC[NH2+]C2)N1CCC(n2cc(Br)cn2)CC1 ZINC000662596904 565379319 /nfs/dbraw/zinc/37/93/19/565379319.db2.gz UAIBOVPUMHVDLY-UHFFFAOYSA-N 1 0 389.297 2.769 20 0 GFADRO Cc1cc(Br)c(CNC(=O)c2cnn([C@@H]3CCC[NH2+]C3)c2)s1 ZINC000662667421 565380445 /nfs/dbraw/zinc/38/04/45/565380445.db2.gz AFEILSFHWJHITG-GFCCVEGCSA-N 1 0 383.315 2.870 20 0 GFADRO O=C(N1CCN(Cc2ccc(Br)s2)CC1)C1([NH2+]C2CC2)CCC1 ZINC000662667545 565381261 /nfs/dbraw/zinc/38/12/61/565381261.db2.gz WELUQPAXJBKHHP-UHFFFAOYSA-N 1 0 398.370 2.830 20 0 GFADRO Cc1cc(Br)c(O)c(NC(=O)c2cn([C@@H]3CCC[NH2+]CC3)nn2)c1 ZINC000662794560 565384150 /nfs/dbraw/zinc/38/41/50/565384150.db2.gz OIJXWKRHXGHULA-LLVKDONJSA-N 1 0 394.273 2.622 20 0 GFADRO C[NH+]1CCC2(CCN(S(=O)(=O)c3ccc(OC(F)F)c(F)c3)C2)CC1 ZINC000641585379 565384750 /nfs/dbraw/zinc/38/47/50/565384750.db2.gz GXZMKRFCMGIQRK-UHFFFAOYSA-N 1 0 378.416 2.534 20 0 GFADRO COc1ccc(I)c(NC(=O)[C@H]2C[C@]23CCC[NH2+]C3)c1 ZINC000594431142 565385614 /nfs/dbraw/zinc/38/56/14/565385614.db2.gz IKJHIWNPZLZQFE-ABAIWWIYSA-N 1 0 386.233 2.628 20 0 GFADRO [NH3+]Cc1cn([C@@H]2CCCN(C(=O)c3c(Cl)cccc3Br)C2)nn1 ZINC000662816710 565386010 /nfs/dbraw/zinc/38/60/10/565386010.db2.gz YUCURJFAIPKLPH-LLVKDONJSA-N 1 0 398.692 2.630 20 0 GFADRO [NH3+]C[C@H](NC(=O)c1ccc(Cl)c(I)c1)C(F)(F)F ZINC000594451913 565386484 /nfs/dbraw/zinc/38/64/84/565386484.db2.gz STGGTKHQAFDCIU-QMMMGPOBSA-N 1 0 392.546 2.564 20 0 GFADRO OCCCN1CCC[C@@H](Nc2ncnc(C(F)(F)F)c2Br)C1 ZINC000641615305 565387468 /nfs/dbraw/zinc/38/74/68/565387468.db2.gz LNQJJBWVUOHLQP-SECBINFHSA-N 1 0 383.212 2.517 20 0 GFADRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)Cc1ccc(Br)c(Br)c1 ZINC000662825069 565387622 /nfs/dbraw/zinc/38/76/22/565387622.db2.gz YLNLPEAROBBSRI-RKDXNWHRSA-N 1 0 378.108 2.996 20 0 GFADRO [NH3+]C1(CNC(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CCCC2)CCCC1 ZINC000662865460 565388380 /nfs/dbraw/zinc/38/83/80/565388380.db2.gz RTQFNDAZSFWONT-UHFFFAOYSA-N 1 0 384.929 2.814 20 0 GFADRO O=C([C@@H]1C[C@H]1C1CC[NH2+]CC1)N1CCOC[C@@H]1c1cccc(Br)c1 ZINC000662885235 565388811 /nfs/dbraw/zinc/38/88/11/565388811.db2.gz XZQNVLSSXYWQGJ-RCCFBDPRSA-N 1 0 393.325 2.985 20 0 GFADRO O=C(N1CCOc2cc(Br)ccc2C1)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662939897 565389797 /nfs/dbraw/zinc/38/97/97/565389797.db2.gz QLUMRCIESDIZEB-AWEZNQCLSA-N 1 0 393.203 2.712 20 0 GFADRO C[C@]([NH3+])(C(=O)N1CCO[C@](C)(C(F)F)C1)c1ccc(Br)cc1 ZINC000663001739 565392345 /nfs/dbraw/zinc/39/23/45/565392345.db2.gz IZZIKCGPLGMNPA-LSDHHAIUSA-N 1 0 377.229 2.506 20 0 GFADRO O=C(c1sccc1Cl)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000663016488 565393572 /nfs/dbraw/zinc/39/35/72/565393572.db2.gz BXRNFGORGJOMDR-LBPRGKRZSA-N 1 0 379.917 2.554 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCCN(CCN2CCOCC2)C1)c1ccccc1Br ZINC000641785767 565400139 /nfs/dbraw/zinc/40/01/39/565400139.db2.gz DTCVSUIIEBINHZ-DLBZAZTESA-N 1 0 396.373 2.896 20 0 GFADRO C[NH+](C)C[C@H]1COC2(CCCC2)CN1C(=O)c1cc(Br)ccc1O ZINC000620914222 565402383 /nfs/dbraw/zinc/40/23/83/565402383.db2.gz LYSBEAMLHWBNJB-AWEZNQCLSA-N 1 0 397.313 2.870 20 0 GFADRO C[NH+](C)CCC[C@@H]1CN(C(=O)COc2cc(Cl)cc(Cl)c2)CCO1 ZINC000620970512 565402955 /nfs/dbraw/zinc/40/29/55/565402955.db2.gz RMYHPSATCCWZRC-OAHLLOKOSA-N 1 0 375.296 2.941 20 0 GFADRO CCOc1cc(CN2CC[NH+](C[C@H]3CCCO3)CC2)cc(Br)c1O ZINC000642338541 565411328 /nfs/dbraw/zinc/41/13/28/565411328.db2.gz HBCFUJIBQNLSLD-OAHLLOKOSA-N 1 0 399.329 2.850 20 0 GFADRO NC(=O)[C@@H]([NH2+]C[C@H]1CCN1Cc1ccccc1)c1ccc(Br)cc1 ZINC000663312457 565411496 /nfs/dbraw/zinc/41/14/96/565411496.db2.gz XZZZBQHWAMQPAC-MSOLQXFVSA-N 1 0 388.309 2.840 20 0 GFADRO COc1cc(CN2CCC[C@@H]2C[NH+]2C[C@H](C)O[C@@H](C)C2)c(Br)cn1 ZINC000621250615 565411466 /nfs/dbraw/zinc/41/14/66/565411466.db2.gz IPJQVVSUJVENOW-OFQRWUPVSA-N 1 0 398.345 2.926 20 0 GFADRO O[C@@H](C[NH2+]C1CCN([C@@H]2CCOC2)CC1)COc1c(Cl)cccc1Cl ZINC000663364499 565415284 /nfs/dbraw/zinc/41/52/84/565415284.db2.gz ROVBIJDRVPYSBG-CABCVRRESA-N 1 0 389.323 2.576 20 0 GFADRO C[C@@H](O)[C@H]([NH2+]CCS(=O)(=O)c1cccc(Br)c1)c1ccccc1 ZINC000663376430 565416193 /nfs/dbraw/zinc/41/61/93/565416193.db2.gz RFRWBTAPBWOCKH-DYVFJYSZSA-N 1 0 398.322 2.935 20 0 GFADRO CC[C@@H]1CN(C(=O)C(=O)N[C@H]2CCSc3ccc(Cl)cc32)CC[C@H]1[NH3+] ZINC000642692753 565416436 /nfs/dbraw/zinc/41/64/36/565416436.db2.gz YLSQGUOZPQEOQT-DFBGVHRSSA-N 1 0 381.929 2.579 20 0 GFADRO O=C(c1cc(Br)c[nH]c1=O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000621328717 565419895 /nfs/dbraw/zinc/41/98/95/565419895.db2.gz AJVPXWDZCWGQOE-UHFFFAOYSA-N 1 0 390.281 2.898 20 0 GFADRO C[C@H](C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1)c1cccc(Br)c1 ZINC000643205992 565424156 /nfs/dbraw/zinc/42/41/56/565424156.db2.gz RAWDXEJYTFXSPU-YOEHRIQHSA-N 1 0 394.357 2.837 20 0 GFADRO CC(C)(CCC[NH3+])NC(=O)C(=O)Nc1ccc(OC(F)(F)F)cc1Cl ZINC000663602548 565427702 /nfs/dbraw/zinc/42/77/02/565427702.db2.gz AMBGSYAYFPYWIW-UHFFFAOYSA-N 1 0 381.782 2.811 20 0 GFADRO O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)N1CCOc2cc(Br)ccc2C1 ZINC000663684395 565430414 /nfs/dbraw/zinc/43/04/14/565430414.db2.gz UGKGBFJGXMWNDQ-JKSUJKDBSA-N 1 0 394.313 2.980 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)N1CCOc2cc(Br)ccc2C1 ZINC000663684392 565430704 /nfs/dbraw/zinc/43/07/04/565430704.db2.gz UGKGBFJGXMWNDQ-CVEARBPZSA-N 1 0 394.313 2.980 20 0 GFADRO C[NH+](C)C1CCC(NC(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CC2)CC1 ZINC000643362699 565431486 /nfs/dbraw/zinc/43/14/86/565431486.db2.gz VZSGAHMPCFEQOH-UHFFFAOYSA-N 1 0 384.929 2.635 20 0 GFADRO OCC[C@]1(C[NH2+]Cc2cc(Cl)ccc2I)CCOC1 ZINC000594931958 565436254 /nfs/dbraw/zinc/43/62/54/565436254.db2.gz KGKAIULAJSIIKK-CQSZACIVSA-N 1 0 395.668 2.823 20 0 GFADRO [NH3+][C@]12CCC[C@H]1CN(C(=O)CCNc1ncc(C(F)(F)F)cc1Cl)C2 ZINC000621689962 565436856 /nfs/dbraw/zinc/43/68/56/565436856.db2.gz OFXHTCBAVNUDBF-BONVTDFDSA-N 1 0 376.810 2.896 20 0 GFADRO CCN1C[C@H](C[NH2+]Cc2cc(Cl)ccc2I)CC1=O ZINC000594950250 565437117 /nfs/dbraw/zinc/43/71/17/565437117.db2.gz RUFUAPWBKWQLFQ-JTQLQIEISA-N 1 0 392.668 2.903 20 0 GFADRO CCC[C@H](O)[C@H](CO)[NH2+]Cc1cc(Cl)ccc1I ZINC000594945631 565437334 /nfs/dbraw/zinc/43/73/34/565437334.db2.gz GYARSUORJACSLD-STQMWFEESA-N 1 0 383.657 2.556 20 0 GFADRO O[C@H]1C[C@H]([NH2+]Cc2c(F)ccc(I)c2F)C12CCC2 ZINC000594986851 565439542 /nfs/dbraw/zinc/43/95/42/565439542.db2.gz IDAADBXUCGAHBP-RYUDHWBXSA-N 1 0 379.188 2.963 20 0 GFADRO CC(C)N1CC[C@H]([NH2+][C@@H]2CCc3ccc(I)cc32)C1=O ZINC000595019237 565443366 /nfs/dbraw/zinc/44/33/66/565443366.db2.gz KUSUZFQMVODAKH-CABCVRRESA-N 1 0 384.261 2.877 20 0 GFADRO C[C@@H](CCS(C)(=O)=O)[NH2+][C@H]1CCc2ccc(I)cc21 ZINC000595020823 565443958 /nfs/dbraw/zinc/44/39/58/565443958.db2.gz NTZCTVTYNAHXOV-HZMBPMFUSA-N 1 0 393.290 2.691 20 0 GFADRO CS(=O)(=O)CCCC[NH2+][C@@H]1CCc2ccc(I)cc21 ZINC000595044186 565444864 /nfs/dbraw/zinc/44/48/64/565444864.db2.gz JARCXMUBRQSPLU-CQSZACIVSA-N 1 0 393.290 2.693 20 0 GFADRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)NCC(F)(F)c1ccc(Br)cc1 ZINC000621851111 565444994 /nfs/dbraw/zinc/44/49/94/565444994.db2.gz LVYJCYURGJWLDD-WDEREUQCSA-N 1 0 376.245 2.920 20 0 GFADRO O=C(NCC(F)(F)c1ccc(Br)cc1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000621850822 565445226 /nfs/dbraw/zinc/44/52/26/565445226.db2.gz FAGQTUSBMJINHE-OAHLLOKOSA-N 1 0 388.256 2.936 20 0 GFADRO CCN1C[C@H](C[NH2+][C@H]2CCc3ccc(I)cc32)CC1=O ZINC000595044838 565445611 /nfs/dbraw/zinc/44/56/11/565445611.db2.gz FYWGYTQPVAZTCL-NHYWBVRUSA-N 1 0 384.261 2.737 20 0 GFADRO CC(C)[NH2+]C1(CO)CCN(c2ncnc3cc(F)c(Br)cc32)CC1 ZINC000663956947 565445661 /nfs/dbraw/zinc/44/56/61/565445661.db2.gz ACFDYVGPBIUNDZ-UHFFFAOYSA-N 1 0 397.292 2.861 20 0 GFADRO COC(=O)c1cn(CC[NH2+][C@H](C)c2ccc(Br)c(Cl)c2)nn1 ZINC000595052615 565446040 /nfs/dbraw/zinc/44/60/40/565446040.db2.gz YUILSXHKGDCKPX-SECBINFHSA-N 1 0 387.665 2.831 20 0 GFADRO Brc1ccc(N2CC[C@@H](C[NH2+]C[C@@H]3CNc4ccnn4C3)C2)cc1 ZINC000595153863 565452346 /nfs/dbraw/zinc/45/23/46/565452346.db2.gz PORUYHGGJHZXJE-LSDHHAIUSA-N 1 0 390.329 2.803 20 0 GFADRO [NH3+][C@@]12CCC[C@@H]1CN(S(=O)(=O)c1ccc(Br)c(Cl)c1)C2 ZINC000622013541 565455219 /nfs/dbraw/zinc/45/52/19/565455219.db2.gz RAFLYMHFEZBDPA-NOZJJQNGSA-N 1 0 379.707 2.604 20 0 GFADRO [NH3+][C@]12CCC[C@H]1CN(S(=O)(=O)Cc1ccc(Cl)cc1Br)C2 ZINC000622014552 565455358 /nfs/dbraw/zinc/45/53/58/565455358.db2.gz HJHNYJTVMOCEDJ-FZMZJTMJSA-N 1 0 393.734 2.746 20 0 GFADRO [NH3+][C@]12CCC[C@@H]1CN(S(=O)(=O)c1ccc(Cl)cc1Br)C2 ZINC000622015065 565455370 /nfs/dbraw/zinc/45/53/70/565455370.db2.gz PSZAXSCAWKFLAY-RNCFNFMXSA-N 1 0 379.707 2.604 20 0 GFADRO COc1ccc(Br)c(CC(=O)Nc2cnc3c(c2)C[NH2+]CC3)c1 ZINC000644102276 565458624 /nfs/dbraw/zinc/45/86/24/565458624.db2.gz BDUQBHRVUMGTIU-UHFFFAOYSA-N 1 0 376.254 2.680 20 0 GFADRO C[C@@]1(C(=O)NCc2cc(Cl)ccc2I)CC[NH2+]C1 ZINC000595256530 565458796 /nfs/dbraw/zinc/45/87/96/565458796.db2.gz MWHLNSQLQSTVME-CYBMUJFWSA-N 1 0 378.641 2.560 20 0 GFADRO CCN(C(=O)NC[C@H](C)Oc1ccccc1Br)[C@@H]1CC[N@H+](C)C1 ZINC000664321541 565459159 /nfs/dbraw/zinc/45/91/59/565459159.db2.gz UNNLBKQTRCHTCM-UONOGXRCSA-N 1 0 384.318 2.952 20 0 GFADRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1cc2c(cc1Br)OCO2 ZINC000622048030 565459307 /nfs/dbraw/zinc/45/93/07/565459307.db2.gz GFILOXPNOBMYDM-NEPJUHHUSA-N 1 0 381.270 2.877 20 0 GFADRO CC(C)[C@H]([NH3+])CCNC(=O)NCCc1ccc(I)s1 ZINC000595265414 565460643 /nfs/dbraw/zinc/46/06/43/565460643.db2.gz MAADOSCNHZUCGU-LLVKDONJSA-N 1 0 395.310 2.568 20 0 GFADRO O=C(N[C@H]1CCC[N@@H+]2CCCC[C@H]12)c1cc2c(cc1Br)OCO2 ZINC000622130755 565463821 /nfs/dbraw/zinc/46/38/21/565463821.db2.gz VHEDHBADTZFTJN-UONOGXRCSA-N 1 0 381.270 2.925 20 0 GFADRO C[N@@H+]1C[C@H]2CCN(S(=O)(=O)c3ccc4cc(Br)ccc4c3)[C@@H]2C1 ZINC000644300211 565471042 /nfs/dbraw/zinc/47/10/42/565471042.db2.gz LQJSOVYPNJLDNH-RHSMWYFYSA-N 1 0 395.322 2.927 20 0 GFADRO C[N@@H+]1C[C@H]2CCN(S(=O)(=O)Cc3ccc(Cl)cc3Br)[C@H]2C1 ZINC000644301610 565471396 /nfs/dbraw/zinc/47/13/96/565471396.db2.gz QGBQHEHSPDXBJU-YGRLFVJLSA-N 1 0 393.734 2.568 20 0 GFADRO Cc1cccc(CNC(=O)NCCN2C[C@@H](C)OC[C@H]2C)c1Br ZINC000664729727 565475731 /nfs/dbraw/zinc/47/57/31/565475731.db2.gz LSWRGVMMJZDGLD-ZIAGYGMSSA-N 1 0 384.318 2.666 20 0 GFADRO COc1nc(C)cc(C)c1C[NH2+]C[C@H](O)COc1ccc(Br)cc1 ZINC000644542140 565480601 /nfs/dbraw/zinc/48/06/01/565480601.db2.gz VZBAWCBOHZCTPN-HNNXBMFYSA-N 1 0 395.297 2.999 20 0 GFADRO O[C@H](C[NH2+]CCOCC1CC1)COc1ccc(Cl)cc1Br ZINC000644557215 565481486 /nfs/dbraw/zinc/48/14/86/565481486.db2.gz PHZDJPFISOCJNC-CYBMUJFWSA-N 1 0 378.694 2.858 20 0 GFADRO CC[C@H](CN1CCCC1)[NH2+]C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000644569468 565482793 /nfs/dbraw/zinc/48/27/93/565482793.db2.gz RHODJGNRHCDBOB-CVEARBPZSA-N 1 0 389.309 2.792 20 0 GFADRO COCCOC[C@@H](O)C[NH2+]C1CCN(Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000644619776 565485370 /nfs/dbraw/zinc/48/53/70/565485370.db2.gz IMYGXTPXIIOTNM-SFHVURJKSA-N 1 0 391.339 2.571 20 0 GFADRO C[N@H+](C[C@H](O)CN[C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O)C1CC1 ZINC000644631157 565486420 /nfs/dbraw/zinc/48/64/20/565486420.db2.gz HPBZBKQAEIKUCL-GDBMZVCRSA-N 1 0 386.323 2.534 20 0 GFADRO Cn1ccnc1[C@@H]([NH2+]C[C@H](O)COc1ccc(Br)cc1)C1CC1 ZINC000644645689 565487162 /nfs/dbraw/zinc/48/71/62/565487162.db2.gz BZFHVWHRXBYRGC-HOCLYGCPSA-N 1 0 380.286 2.663 20 0 GFADRO NC(=O)Cc1ccc(C[NH2+]C[C@H](O)COc2ccc(Cl)c(Cl)c2)cc1 ZINC000644649454 565487847 /nfs/dbraw/zinc/48/78/47/565487847.db2.gz VKMXGFRMKMEAKX-AWEZNQCLSA-N 1 0 383.275 2.551 20 0 GFADRO CN(CCC[NH+](C)C)CCNC(=O)NC/C=C\c1ccc(Br)cc1 ZINC000664998132 565488942 /nfs/dbraw/zinc/48/89/42/565488942.db2.gz BWABLUKIYOOPNV-XQRVVYSFSA-N 1 0 397.361 2.645 20 0 GFADRO C[NH+](C)CCCNC(=O)Cc1ccc(Br)c(Br)c1 ZINC000665110506 565490026 /nfs/dbraw/zinc/49/00/26/565490026.db2.gz GVXKYPQDWWJRGJ-UHFFFAOYSA-N 1 0 378.108 2.822 20 0 GFADRO C[NH+](C)C[C@@H]1CN(C(=O)c2cc(Br)c[nH]c2=O)c2ccccc2O1 ZINC000623020539 565490576 /nfs/dbraw/zinc/49/05/76/565490576.db2.gz NCACLKJFUHEIKM-GFCCVEGCSA-N 1 0 392.253 2.519 20 0 GFADRO C[C@]1(NC(=O)c2cc(Br)c[nH]c2=O)CC[N@H+](Cc2ccccc2)C1 ZINC000623030884 565491827 /nfs/dbraw/zinc/49/18/27/565491827.db2.gz GYOHEWOJNORLKW-SFHVURJKSA-N 1 0 390.281 2.944 20 0 GFADRO COC(=O)c1ccc(C[N@@H+]2CC[C@@H](CN3CCCC3=O)C2)c(Br)c1 ZINC000595827054 565492155 /nfs/dbraw/zinc/49/21/55/565492155.db2.gz ADUQDROZUBJJML-CYBMUJFWSA-N 1 0 395.297 2.680 20 0 GFADRO O=C(c1nc(C2CC2)ncc1Br)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000623066718 565492940 /nfs/dbraw/zinc/49/29/40/565492940.db2.gz NOVSDDDPJKDDSI-QWHCGFSZSA-N 1 0 379.302 2.578 20 0 GFADRO Cc1c([C@H](C)NCC23CC(C2)C[NH2+]3)nnn1-c1cccc(Br)c1 ZINC000665277330 565494354 /nfs/dbraw/zinc/49/43/54/565494354.db2.gz ZEUGYNQYBHXGGZ-BLQFLSLASA-N 1 0 376.302 2.741 20 0 GFADRO C[C@@H](Cn1cc(Br)ccc1=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000665252329 565494880 /nfs/dbraw/zinc/49/48/80/565494880.db2.gz MYQXGECSAQQKFT-BMGDILEWSA-N 1 0 390.325 2.735 20 0 GFADRO COCC[N@@H+]1CCC[C@H](NC(=O)C2(Cc3ccccc3Br)CC2)C1 ZINC000644794708 565495141 /nfs/dbraw/zinc/49/51/41/565495141.db2.gz KGRRFPFOVQVJNT-INIZCTEOSA-N 1 0 395.341 2.999 20 0 GFADRO C[N@@H+]1C[C@H]2CCN(C(=O)c3cc(Br)cc(Br)c3)[C@H]2C1 ZINC000644824429 565497010 /nfs/dbraw/zinc/49/70/10/565497010.db2.gz VXKXNFMBLOGYNM-RNCFNFMXSA-N 1 0 388.103 2.988 20 0 GFADRO C[N@@H+]1C[C@@H]2CCN(S(=O)(=O)c3ccc4ccccc4c3Br)[C@@H]2C1 ZINC000644862507 565499293 /nfs/dbraw/zinc/49/92/93/565499293.db2.gz RTWQRFAZEZROSS-DZGCQCFKSA-N 1 0 395.322 2.927 20 0 GFADRO O=C(NCc1cc(Cl)ccc1I)[C@H]1CCCC[NH2+]1 ZINC000595964236 565502359 /nfs/dbraw/zinc/50/23/59/565502359.db2.gz XTGFCXMUDGBVMM-GFCCVEGCSA-N 1 0 378.641 2.703 20 0 GFADRO C[NH2+]C[C@H](C)NC(=O)C[C@H](C)CCc1ccc(I)cc1 ZINC000595985136 565503383 /nfs/dbraw/zinc/50/33/83/565503383.db2.gz YFVNNVUXCAGKPG-OLZOCXBDSA-N 1 0 388.293 2.974 20 0 GFADRO C[C@H](NC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)c1ncc(Br)cn1 ZINC000644969374 565506117 /nfs/dbraw/zinc/50/61/17/565506117.db2.gz RFNSILDDAQDWPB-WFASDCNBSA-N 1 0 392.301 2.902 20 0 GFADRO CC(C)[C@@H]1CN(C(=O)Nc2cnc3c(Br)cccn23)CC[N@@H+]1C ZINC000645009440 565508096 /nfs/dbraw/zinc/50/80/96/565508096.db2.gz KBIBRCASBSZVDY-ZDUSSCGKSA-N 1 0 380.290 2.901 20 0 GFADRO C[C@H]1C[NH+](CCCNC(=O)Cc2ccc(Br)cc2F)C[C@H](C)O1 ZINC000665817217 565512120 /nfs/dbraw/zinc/51/21/20/565512120.db2.gz LTAPMOWZRSONRE-STQMWFEESA-N 1 0 387.293 2.746 20 0 GFADRO C[C@@H]1C[NH+](CCCNC(=O)Cc2ccc(Br)cc2F)C[C@@H](C)O1 ZINC000665817216 565512367 /nfs/dbraw/zinc/51/23/67/565512367.db2.gz LTAPMOWZRSONRE-CHWSQXEVSA-N 1 0 387.293 2.746 20 0 GFADRO COc1cc(CNC(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c(Br)cc1O ZINC000645172006 565514262 /nfs/dbraw/zinc/51/42/62/565514262.db2.gz DNTRBKAKOOOFKH-OLZOCXBDSA-N 1 0 398.301 2.589 20 0 GFADRO O=C(N[C@@H](CO)C[NH+]1CCCCC1)[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000665883977 565514586 /nfs/dbraw/zinc/51/45/86/565514586.db2.gz IUPPOCWDNNSGMZ-IXDOHACOSA-N 1 0 381.314 2.516 20 0 GFADRO CC[N@@H+]1CC[C@H]2OCCN(C[C@H](O)COc3cc(Cl)ccc3Cl)[C@H]2C1 ZINC000645177800 565515549 /nfs/dbraw/zinc/51/55/49/565515549.db2.gz APDYHTKYMPDNJZ-BHYGNILZSA-N 1 0 389.323 2.528 20 0 GFADRO O=C(c1cc(Br)c2c(c1)OCCO2)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000623504058 565515575 /nfs/dbraw/zinc/51/55/75/565515575.db2.gz CMGDQNPYMRHXSE-AWEZNQCLSA-N 1 0 395.297 2.921 20 0 GFADRO C[C@H]1[C@@H]([NH+](C)C)CCN1c1ncnc2cccc(I)c21 ZINC000596243621 565516626 /nfs/dbraw/zinc/51/66/26/565516626.db2.gz IQOZSANBJIFGRL-GWCFXTLKSA-N 1 0 382.249 2.763 20 0 GFADRO C[NH+]1CCC2(CC1)CN(C(=O)NCc1sccc1Br)CCO2 ZINC000645228671 565518100 /nfs/dbraw/zinc/51/81/00/565518100.db2.gz WZPMOYWEVBICBM-UHFFFAOYSA-N 1 0 388.331 2.517 20 0 GFADRO COc1ccc(Br)cc1C1(NC(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000645294988 565520224 /nfs/dbraw/zinc/52/02/24/565520224.db2.gz VYOQAKVKAPXOLX-CYBMUJFWSA-N 1 0 394.313 2.983 20 0 GFADRO C[NH+](C)C1CCN(C(=O)c2ccn(-c3ccc(Br)cc3)n2)CC1 ZINC000645353329 565521061 /nfs/dbraw/zinc/52/10/61/565521061.db2.gz SFVLUEBUITZEIR-UHFFFAOYSA-N 1 0 377.286 2.801 20 0 GFADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@H]1CCN(C2CCCCC2)C1=O ZINC000666108947 565523245 /nfs/dbraw/zinc/52/32/45/565523245.db2.gz ZMLNOOMNIJVUIL-CJNGLKHVSA-N 1 0 396.329 2.523 20 0 GFADRO CC(C)(C)n1cc(C[NH2+][C@@]2(CO)CCc3cc(Br)ccc3C2)nn1 ZINC000623644866 565523252 /nfs/dbraw/zinc/52/32/52/565523252.db2.gz CIUZMSWQUFSANA-SFHVURJKSA-N 1 0 393.329 2.805 20 0 GFADRO COc1cccc2c1OC[C@H]([NH2+][C@H](C)Cn1cc(Br)ccc1=O)C2 ZINC000666087347 565523652 /nfs/dbraw/zinc/52/36/52/565523652.db2.gz GFZZMPUKIDZRFU-IUODEOHRSA-N 1 0 393.281 2.601 20 0 GFADRO O=C(Nc1ccc(Br)c(F)c1)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000666193167 565526479 /nfs/dbraw/zinc/52/64/79/565526479.db2.gz FZPSHARDFCPBEZ-CYBMUJFWSA-N 1 0 386.265 2.651 20 0 GFADRO Cc1ccc(Br)cc1CNC(=O)N1CCOC2(CC[NH+](C)CC2)C1 ZINC000645460613 565526922 /nfs/dbraw/zinc/52/69/22/565526922.db2.gz SRZLOKURFMDEHG-UHFFFAOYSA-N 1 0 396.329 2.764 20 0 GFADRO COc1cc(NC(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)ccc1Br ZINC000666250623 565529288 /nfs/dbraw/zinc/52/92/88/565529288.db2.gz UPYBRZMPFHBRBT-CQSZACIVSA-N 1 0 398.301 2.521 20 0 GFADRO COc1ncc(Br)cc1CNC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000623792165 565530662 /nfs/dbraw/zinc/53/06/62/565530662.db2.gz IWMAYZZBXKKDOW-UHFFFAOYSA-N 1 0 399.333 2.772 20 0 GFADRO CN(CC1C[NH+](C)C1)C(=O)Nc1ccc(I)cc1Cl ZINC000596672916 565531539 /nfs/dbraw/zinc/53/15/39/565531539.db2.gz TXCUOSXMYKPCJF-UHFFFAOYSA-N 1 0 393.656 2.970 20 0 GFADRO COCC[N@H+](C)CCCNC(=O)C(C)(C)Oc1ccc(Br)cc1 ZINC000666342489 565532623 /nfs/dbraw/zinc/53/26/23/565532623.db2.gz LBNOGNGALXVSSV-UHFFFAOYSA-N 1 0 387.318 2.691 20 0 GFADRO C[C@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+][C@H]1CCCN(S(C)(=O)=O)C1 ZINC000623879061 565534211 /nfs/dbraw/zinc/53/42/11/565534211.db2.gz WYIIDPOEJXRVJT-PWSUYJOCSA-N 1 0 399.866 2.698 20 0 GFADRO CCS(=O)(=O)NCCC[NH2+][C@@H](C)c1cc(F)c(Br)cc1F ZINC000623881696 565534224 /nfs/dbraw/zinc/53/42/24/565534224.db2.gz XFCIFFFYUVLOGZ-VIFPVBQESA-N 1 0 385.274 2.707 20 0 GFADRO C[NH+](C)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Br)cc2Cl)C1 ZINC000645528908 565534635 /nfs/dbraw/zinc/53/46/35/565534635.db2.gz YEFGOZOYZGQNJC-CYBMUJFWSA-N 1 0 395.750 2.958 20 0 GFADRO COc1cc(Br)ccc1CNC(=O)NC[C@@H]1CCCC[N@H+](C)C1 ZINC000623907783 565535113 /nfs/dbraw/zinc/53/51/13/565535113.db2.gz DITOEFMCGJKTGY-ZDUSSCGKSA-N 1 0 384.318 2.989 20 0 GFADRO C[NH+](C)C[C@@H]1CCN(S(=O)(=O)Cc2ccc(Br)cc2Cl)C1 ZINC000645538123 565536419 /nfs/dbraw/zinc/53/64/19/565536419.db2.gz JJCKVKJUIREJHN-NSHDSACASA-N 1 0 395.750 2.816 20 0 GFADRO CCN(C(=O)Nc1cccc(F)c1I)[C@H]1CC[N@H+](C)C1 ZINC000596810079 565537028 /nfs/dbraw/zinc/53/70/28/565537028.db2.gz NJWGSHMZCBQCOP-JTQLQIEISA-N 1 0 391.228 2.988 20 0 GFADRO O=C(NCCCCn1cc(Br)cn1)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000623967937 565537902 /nfs/dbraw/zinc/53/79/02/565537902.db2.gz NSQXJYNQTMOWKS-MRXNPFEDSA-N 1 0 398.349 2.742 20 0 GFADRO C[C@H]([NH2+]C[C@]1(OCCO)CCOC1)c1cc(F)c(Br)cc1F ZINC000624012036 565538714 /nfs/dbraw/zinc/53/87/14/565538714.db2.gz PZCAIAPQDSXMKC-ZUZCIYMTSA-N 1 0 380.229 2.546 20 0 GFADRO COCCC[C@H]([NH2+][C@@H](CO)c1ccnn1C)c1ccc(Br)cc1 ZINC000624019898 565540089 /nfs/dbraw/zinc/54/00/89/565540089.db2.gz DPRIWORKCVANFN-HOTGVXAUSA-N 1 0 382.302 2.974 20 0 GFADRO O=C(NCC/C=C/c1ccc(Br)cc1)NCC[N@@H+]1CCCOCC1 ZINC000624115498 565544014 /nfs/dbraw/zinc/54/40/14/565544014.db2.gz XLQCONFBYWAXQO-DAFODLJHSA-N 1 0 396.329 2.874 20 0 GFADRO COc1ncc(Br)cc1C[NH2+]C1CCC(CS(C)(=O)=O)CC1 ZINC000624134475 565544991 /nfs/dbraw/zinc/54/49/91/565544991.db2.gz WMSIZNFRKRDTMQ-UHFFFAOYSA-N 1 0 391.331 2.546 20 0 GFADRO Cn1cc(Br)c(=O)c(NC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)c1 ZINC000666686887 565547852 /nfs/dbraw/zinc/54/78/52/565547852.db2.gz JTYCTGGVVOCZSA-HNNXBMFYSA-N 1 0 393.285 2.572 20 0 GFADRO Cc1cccc2cc(S(=O)(=O)N[C@H](C)CCN3CC[NH+](C)CC3)sc21 ZINC000645655873 565548528 /nfs/dbraw/zinc/54/85/28/565548528.db2.gz YYTLWXUVLWXBAC-OAHLLOKOSA-N 1 0 381.567 2.514 20 0 GFADRO CC(C)[N@H+](C)CC1CCN(C(=O)Nc2cn(C)cc(Br)c2=O)CC1 ZINC000666690954 565548600 /nfs/dbraw/zinc/54/86/00/565548600.db2.gz UESZLHUDGYMNQV-UHFFFAOYSA-N 1 0 399.333 2.732 20 0 GFADRO O[C@H]1CCN(CC[NH2+][C@@H]2CCCc3c4cc(Br)ccc4[nH]c32)C1 ZINC000624339913 565552558 /nfs/dbraw/zinc/55/25/58/565552558.db2.gz VSBJCLYJDLCCRQ-SUMWQHHRSA-N 1 0 378.314 2.964 20 0 GFADRO Cc1cc(Br)c(F)cc1S(=O)(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000624370860 565553624 /nfs/dbraw/zinc/55/36/24/565553624.db2.gz YZIOAQBFZRZOFR-MWLCHTKSSA-N 1 0 379.295 2.502 20 0 GFADRO C[C@H]1CC[C@@H](NS(=O)(=O)Cc2ccc(Br)cc2Cl)C[NH2+]1 ZINC000624404661 565555416 /nfs/dbraw/zinc/55/54/16/565555416.db2.gz VRMCVSJNZCWDDA-JOYOIKCWSA-N 1 0 381.723 2.662 20 0 GFADRO COC(=O)[C@H]1C[C@@H]([NH2+]Cc2cn(-c3ccccc3Br)nc2C)C1 ZINC000597220719 565555686 /nfs/dbraw/zinc/55/56/86/565555686.db2.gz GHGCDPMUTCCTNH-XBXGTLAGSA-N 1 0 378.270 2.984 20 0 GFADRO COC(=O)[C@H]1C[C@@H]([NH2+]Cc2cn(-c3cccc(Br)c3)nc2C)C1 ZINC000597222119 565556455 /nfs/dbraw/zinc/55/64/55/565556455.db2.gz KJBISZGNSVUDAO-JNSHFYNHSA-N 1 0 378.270 2.984 20 0 GFADRO C[C@]12C[NH2+]C[C@@]1(C)CN(S(=O)(=O)c1cc(Cl)ccc1OC(F)(F)F)C2 ZINC000624411729 565556638 /nfs/dbraw/zinc/55/66/38/565556638.db2.gz RHNDZXBQVMUATJ-OKILXGFUSA-N 1 0 398.834 2.859 20 0 GFADRO C[N@@H+]1CCC[C@@H](NC(=O)NCc2cc(Br)ccc2OC(F)F)C1 ZINC000624415712 565556926 /nfs/dbraw/zinc/55/69/26/565556926.db2.gz UFOZFYMCQZZWPJ-GFCCVEGCSA-N 1 0 392.244 2.944 20 0 GFADRO Cc1nccc(NC(=O)NC[C@H]2CCC[N@H+](CC3CC3)C2)c1Br ZINC000666836988 565559023 /nfs/dbraw/zinc/55/90/23/565559023.db2.gz IDRGIQOCXPSEDO-CQSZACIVSA-N 1 0 381.318 2.818 20 0 GFADRO C[N@@H+]1CCCC[C@H](CNC(=O)N[C@H](CO)c2cccc(Br)c2)C1 ZINC000624612378 565566174 /nfs/dbraw/zinc/56/61/74/565566174.db2.gz SHYBHNPHYAORJS-CZUORRHYSA-N 1 0 384.318 2.514 20 0 GFADRO C[N@@H+]1C[C@H](C(=O)Nc2cc(Br)c[nH]c2=O)[C@@H](c2ccccc2)C1 ZINC000624626166 565567113 /nfs/dbraw/zinc/56/71/13/565567113.db2.gz ILEUQLMVSRHXPF-KGLIPLIRSA-N 1 0 376.254 2.834 20 0 GFADRO COc1ncc(Br)cc1CNC(=O)NCCC[NH+]1CCC(C)CC1 ZINC000624633124 565568685 /nfs/dbraw/zinc/56/86/85/565568685.db2.gz CHSUXLJTEBHZCD-UHFFFAOYSA-N 1 0 399.333 2.774 20 0 GFADRO COc1ccc(Sc2nsc(NC(=O)N(C)CC3C[NH+](C)C3)n2)cc1 ZINC000667110014 565570257 /nfs/dbraw/zinc/57/02/57/565570257.db2.gz UYLRHDBUWOZTBE-UHFFFAOYSA-N 1 0 379.511 2.723 20 0 GFADRO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1cc(F)c(F)cc1I ZINC000597698721 565570876 /nfs/dbraw/zinc/57/08/76/565570876.db2.gz HUPGKGUESSDYFD-OQPBUACISA-N 1 0 394.203 2.734 20 0 GFADRO CN1CCOC[C@H]1CNC(=O)N1CCC(c2ccccc2Br)CC1 ZINC000624734459 565573583 /nfs/dbraw/zinc/57/35/83/565573583.db2.gz ZNOOPJCYPIYMBF-OAHLLOKOSA-N 1 0 396.329 2.669 20 0 GFADRO CN1CCOC[C@@H]1CNC(=O)N1CC=C(c2cccc(Br)c2)CC1 ZINC000624729865 565573667 /nfs/dbraw/zinc/57/36/67/565573667.db2.gz LBUOQZJCAVLILT-KRWDZBQOSA-N 1 0 394.313 2.578 20 0 GFADRO CN1CCOC[C@H]1CNC(=O)N1CCC(Sc2ccc(Cl)cc2)CC1 ZINC000624734444 565574139 /nfs/dbraw/zinc/57/41/39/565574139.db2.gz SAPBVPDARBKZPN-OAHLLOKOSA-N 1 0 383.945 2.937 20 0 GFADRO COc1cc(CNC(=O)N(CC[NH+](C)C)C(C)C)c(Br)cc1O ZINC000645922988 565574859 /nfs/dbraw/zinc/57/48/59/565574859.db2.gz AYGJLVHYABFXQX-UHFFFAOYSA-N 1 0 388.306 2.645 20 0 GFADRO CC(C)Oc1cc(Br)cc(NC(=O)N2CCO[C@@H]([C@H](C)[NH3+])C2)c1 ZINC000667173194 565574853 /nfs/dbraw/zinc/57/48/53/565574853.db2.gz ZFRNMVGFGAIPQP-XHDPSFHLSA-N 1 0 386.290 2.816 20 0 GFADRO COc1ccc(Br)cc1C1([NH2+]CC2(CS(C)(=O)=O)CC2)CC1 ZINC000645974094 565579022 /nfs/dbraw/zinc/57/90/22/565579022.db2.gz GQNGIMIRRASDPZ-UHFFFAOYSA-N 1 0 388.327 2.861 20 0 GFADRO Cc1cc(Br)c(F)cc1S(=O)(=O)N1CCC([NH+](C)C)CC1 ZINC000624852343 565579083 /nfs/dbraw/zinc/57/90/83/565579083.db2.gz OPZIQKJQIOZSDS-UHFFFAOYSA-N 1 0 379.295 2.611 20 0 GFADRO COC(=O)[C@@H]1C[C@H](C(F)(F)F)CN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC000597930241 565582470 /nfs/dbraw/zinc/58/24/70/565582470.db2.gz RCBUIFQTFSWQDR-NEPJUHHUSA-N 1 0 378.416 2.623 20 0 GFADRO CCO[C@@H](CS(=O)(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1)C1CC1 ZINC000624934372 565583717 /nfs/dbraw/zinc/58/37/17/565583717.db2.gz FIEBOHNAIALOGQ-QAPCUYQASA-N 1 0 386.583 2.695 20 0 GFADRO C[C@H]([NH3+])[C@H]1CN(C(=O)Nc2nnc(-c3c(F)cccc3Cl)s2)CCO1 ZINC000667408775 565585772 /nfs/dbraw/zinc/58/57/72/565585772.db2.gz WRSQINNSVOVDBO-GZMMTYOYSA-N 1 0 385.852 2.578 20 0 GFADRO C[C@@H](CNC(=O)COC1CCC([NH3+])CC1)Oc1ccc(Br)cc1 ZINC000646116192 565588373 /nfs/dbraw/zinc/58/83/73/565588373.db2.gz NPRBRGGSKTWEEZ-GRTSSRMGSA-N 1 0 385.302 2.619 20 0 GFADRO COc1cc(NC(=O)NC/C=C/C[NH3+])c(Br)cc1Br ZINC000667472620 565589003 /nfs/dbraw/zinc/58/90/03/565589003.db2.gz OVDNAKNWXDUJQT-NSCUHMNNSA-N 1 0 393.079 2.857 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000646187652 565590609 /nfs/dbraw/zinc/59/06/09/565590609.db2.gz PYEVYTPBBJQUCO-RYUDHWBXSA-N 1 0 385.306 2.511 20 0 GFADRO CC(C)c1cc(Br)ccc1NC(=O)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000667504779 565591227 /nfs/dbraw/zinc/59/12/27/565591227.db2.gz NAOYVVMEMWZPJL-CYBMUJFWSA-N 1 0 382.302 2.769 20 0 GFADRO CC(C)[C@H]1CN(C(=O)C(=O)Nc2ccc(C(F)(F)F)cc2Cl)CC[NH2+]1 ZINC000667518728 565592289 /nfs/dbraw/zinc/59/22/89/565592289.db2.gz ZETQUPFQOBOZLL-CYBMUJFWSA-N 1 0 377.794 2.754 20 0 GFADRO COCCNC(=O)[C@H]1CC[C@H](C)[N@H+](Cc2cncc(Br)c2C)C1 ZINC000667544076 565593312 /nfs/dbraw/zinc/59/33/12/565593312.db2.gz VFENRFTYGBEEHU-JSGCOSHPSA-N 1 0 384.318 2.516 20 0 GFADRO CCOc1c(Cl)cc(NC(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)cc1Cl ZINC000667536763 565593327 /nfs/dbraw/zinc/59/33/27/565593327.db2.gz INJYFSITJNUNMB-IINYFYTJSA-N 1 0 386.279 2.541 20 0 GFADRO C[C@H]1COCC[N@@H+]1C1CCN(C(=O)c2cc(Br)ccc2F)CC1 ZINC000646320180 565596364 /nfs/dbraw/zinc/59/63/64/565596364.db2.gz WWWGIRPQTMEFHG-LBPRGKRZSA-N 1 0 385.277 2.914 20 0 GFADRO C[C@@H]1COCC[N@@H+]1C1CCN(C(=O)c2ccc(Br)cc2F)CC1 ZINC000646315829 565596432 /nfs/dbraw/zinc/59/64/32/565596432.db2.gz PFVPFDYTJMOBHP-GFCCVEGCSA-N 1 0 385.277 2.914 20 0 GFADRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(Cc2ccncc2Br)CC1 ZINC000625118420 565599570 /nfs/dbraw/zinc/59/95/70/565599570.db2.gz KAOPBCSKUDDNPQ-HZPDHXFCSA-N 1 0 381.362 2.835 20 0 GFADRO C[N@@H+]1CCC[C@H]1[C@H]1COCCN1C(=O)c1cc2cc(Br)ccc2[nH]1 ZINC000646446410 565603324 /nfs/dbraw/zinc/60/33/24/565603324.db2.gz HELQHBCSSRTWNY-DLBZAZTESA-N 1 0 392.297 2.866 20 0 GFADRO [NH3+]Cc1cccc(NC(=O)N2CCC(n3cc(Br)cn3)CC2)c1 ZINC000667728562 565604327 /nfs/dbraw/zinc/60/43/27/565604327.db2.gz WBNUZWIEMUUDLZ-UHFFFAOYSA-N 1 0 378.274 2.973 20 0 GFADRO [NH3+]Cc1cccc(NC(=O)NC[C@H](CO)Cc2ccc(Br)cc2)c1 ZINC000667735246 565604341 /nfs/dbraw/zinc/60/43/41/565604341.db2.gz OGIFTKUOKQRDAV-OAHLLOKOSA-N 1 0 392.297 2.881 20 0 GFADRO COc1ccc(Br)c(C(=O)NCCC[NH2+][C@@H]2CO[C@H](C3CC3)C2)c1 ZINC000667836601 565607537 /nfs/dbraw/zinc/60/75/37/565607537.db2.gz VLCKFMIDXMIHKJ-GUYCJALGSA-N 1 0 397.313 2.735 20 0 GFADRO Cc1cc(Br)c(F)cc1S(=O)(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000625229158 565608831 /nfs/dbraw/zinc/60/88/31/565608831.db2.gz NSSPNISMUWNKGY-HNNXBMFYSA-N 1 0 391.306 2.613 20 0 GFADRO COc1ccccc1[C@@H]([NH3+])CNC(=O)c1cc2sc(N(C)C)nc2s1 ZINC000646604134 565610636 /nfs/dbraw/zinc/61/06/36/565610636.db2.gz YBUCOOIISOCBOG-NSHDSACASA-N 1 0 376.507 2.862 20 0 GFADRO Brc1ccc(C[NH2+][C@@H]2CO[C@H](C3CC3)C2)c(N2CCOCC2)c1 ZINC000667909189 565611827 /nfs/dbraw/zinc/61/18/27/565611827.db2.gz NSRIOBIYPDPKNA-WMZOPIPTSA-N 1 0 381.314 2.943 20 0 GFADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21 ZINC000625269536 565614314 /nfs/dbraw/zinc/61/43/14/565614314.db2.gz RWLIXHSWYKYFOS-ZYRRHWMLSA-N 1 0 393.325 2.562 20 0 GFADRO CC(C)c1ccc([C@@H]([NH3+])CNC(=O)CCn2cc(Br)cn2)cc1 ZINC000646693174 565614668 /nfs/dbraw/zinc/61/46/68/565614668.db2.gz QHIMXQDQJIVWEN-INIZCTEOSA-N 1 0 379.302 2.975 20 0 GFADRO COCCC[N@H+](C)CCNC(=O)Nc1ccc(F)c(Br)c1F ZINC000668044684 565624312 /nfs/dbraw/zinc/62/43/12/565624312.db2.gz YRAQBHXABTVUQI-UHFFFAOYSA-N 1 0 380.233 2.817 20 0 GFADRO Cc1ncsc1-c1ccc(C[N@H+]2CCC[C@@H](S(=O)(=O)N(C)C)C2)cc1 ZINC000668140193 565629799 /nfs/dbraw/zinc/62/97/99/565629799.db2.gz UJCNDNYVNXNRIU-QGZVFWFLSA-N 1 0 379.551 2.974 20 0 GFADRO Cc1cccc(S(=O)(=O)NC[C@H]2CCCC[N@@H+](C)C2)c1Br ZINC000625420858 565629803 /nfs/dbraw/zinc/62/98/03/565629803.db2.gz ISSQKIGQYHJJNH-CYBMUJFWSA-N 1 0 375.332 2.768 20 0 GFADRO [NH3+][C@H]1CCC[C@H](NC(=O)c2ncc(Br)cc2Br)C1 ZINC000646996917 565631061 /nfs/dbraw/zinc/63/10/61/565631061.db2.gz CVBBGRFQJZNNOS-IUCAKERBSA-N 1 0 377.080 2.606 20 0 GFADRO CC1([NH3+])CCN(C(=O)[C@H](c2ccc(Br)cc2)N2CCCC2)CC1 ZINC000646993684 565631362 /nfs/dbraw/zinc/63/13/62/565631362.db2.gz DPFMIAFWYLXMEZ-INIZCTEOSA-N 1 0 380.330 2.926 20 0 GFADRO CC[C@@H]1CN(C(=O)c2ccn(-c3cccc(Br)c3)n2)CC[C@@H]1[NH3+] ZINC000647011674 565632165 /nfs/dbraw/zinc/63/21/65/565632165.db2.gz IUDSVVIMPDUNPX-DOMZBBRYSA-N 1 0 377.286 2.834 20 0 GFADRO CC[C@H]1CN(C(=O)c2ncc(Br)cc2Br)CC[C@@H]1[NH3+] ZINC000647008525 565632311 /nfs/dbraw/zinc/63/23/11/565632311.db2.gz PYBIGABRNYZCCV-KWQFWETISA-N 1 0 391.107 2.806 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000646998223 565632491 /nfs/dbraw/zinc/63/24/91/565632491.db2.gz XCSMJMBAOQZTRQ-UONOGXRCSA-N 1 0 377.286 2.943 20 0 GFADRO COC(=O)C[C@@H](NC(=O)CC[C@H]1CCC[NH2+]C1)c1ccc(Br)cc1 ZINC000598664779 565632838 /nfs/dbraw/zinc/63/28/38/565632838.db2.gz MUJHAFHEVZRXKG-CZUORRHYSA-N 1 0 397.313 2.949 20 0 GFADRO O=C(CCCOc1ccccc1Br)N[C@@H]1C[NH2+]CCC1(F)F ZINC000647075975 565635307 /nfs/dbraw/zinc/63/53/07/565635307.db2.gz ICBSVKHHUANUAO-CYBMUJFWSA-N 1 0 377.229 2.722 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)CCc2cc(Br)cs2)CC12CCOCC2 ZINC000647078616 565635774 /nfs/dbraw/zinc/63/57/74/565635774.db2.gz IRLTVQGZQSFOIE-LBPRGKRZSA-N 1 0 387.343 2.657 20 0 GFADRO [NH3+][C@H]1CCO[C@H](C2CCN(C(=O)c3ccc(Br)c(O)c3)CC2)C1 ZINC000647089796 565636933 /nfs/dbraw/zinc/63/69/33/565636933.db2.gz SOBBJKHOZUGHKI-BBRMVZONSA-N 1 0 383.286 2.513 20 0 GFADRO Brc1ccc(-c2noc(-c3cn(C4CC[NH2+]CC4)nn3)n2)cc1 ZINC000647158614 565641804 /nfs/dbraw/zinc/64/18/04/565641804.db2.gz VIDYHFRWJGYQGN-UHFFFAOYSA-N 1 0 375.230 2.682 20 0 GFADRO CC1CCN(S(=O)(=O)c2ccc(-c3nc([C@H]4CCC[NH2+]4)no3)s2)CC1 ZINC000647150290 565641987 /nfs/dbraw/zinc/64/19/87/565641987.db2.gz CCVYYPMYEFSCKG-GFCCVEGCSA-N 1 0 382.511 2.643 20 0 GFADRO CCN(CC)S(=O)(=O)c1ccc(Cl)c(-c2nc([C@H]3CCC[NH2+]3)no2)c1 ZINC000647156133 565642057 /nfs/dbraw/zinc/64/20/57/565642057.db2.gz QDHGKBQMVKMNII-CQSZACIVSA-N 1 0 384.889 2.845 20 0 GFADRO COCC[N@@H+]1CCC[C@@H](NC(=O)c2cc3cc(Br)sc3[nH]2)C1 ZINC000668373437 565644731 /nfs/dbraw/zinc/64/47/31/565644731.db2.gz ALHKBFNTDGCBPI-LLVKDONJSA-N 1 0 386.315 2.833 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+]C[C@@H](c2ccccc2)C(F)(F)F)c(F)c1 ZINC000647203481 565645363 /nfs/dbraw/zinc/64/53/63/565645363.db2.gz FKWATDIYAHIPFF-AWEZNQCLSA-N 1 0 376.375 2.909 20 0 GFADRO OCCCN1CCC[C@@H]([NH2+]Cc2cc(OC(F)F)ccc2Br)C1 ZINC000647213891 565645893 /nfs/dbraw/zinc/64/58/93/565645893.db2.gz DHMFDTJIDRVXGT-CYBMUJFWSA-N 1 0 393.272 2.987 20 0 GFADRO COCCOc1c(Cl)cc(S(=O)(=O)N[C@H]2CCC[C@H]([NH3+])C2)cc1Cl ZINC000647259727 565649211 /nfs/dbraw/zinc/64/92/11/565649211.db2.gz SDBJOPFXNPGLRN-QWRGUYRKSA-N 1 0 397.324 2.567 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H](NS(=O)(=O)Cc2cc(Cl)ccc2Br)C1 ZINC000647259813 565649351 /nfs/dbraw/zinc/64/93/51/565649351.db2.gz ZBULUGUMKTVZFR-VXGBXAGGSA-N 1 0 381.723 2.792 20 0 GFADRO CC(C)[C@H]1CN(S(=O)(=O)c2c(Cl)cccc2Br)CC[NH2+]1 ZINC000647255692 565649838 /nfs/dbraw/zinc/64/98/38/565649838.db2.gz LIBUOGDKKFPYDF-GFCCVEGCSA-N 1 0 381.723 2.721 20 0 GFADRO O=S(=O)(Cc1ccc(Br)cc1Cl)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000647264730 565650493 /nfs/dbraw/zinc/65/04/93/565650493.db2.gz PBEDKNQTMMHNFT-QMTHXVAHSA-N 1 0 393.734 2.616 20 0 GFADRO CO[C@@]1(CO)CCC[N@H+](Cc2cn(-c3ccccc3Br)nc2C)C1 ZINC000668498256 565651403 /nfs/dbraw/zinc/65/14/03/565651403.db2.gz PENWNWFBYHVATH-SFHVURJKSA-N 1 0 394.313 2.917 20 0 GFADRO CC[C@@H]1CN(S(=O)(=O)c2cc(Cl)c(Br)cc2F)CC[C@H]1[NH3+] ZINC000647268844 565651740 /nfs/dbraw/zinc/65/17/40/565651740.db2.gz ITOFOQDPGWHCLU-PRHODGIISA-N 1 0 399.713 2.990 20 0 GFADRO CC[C@@H]1CN(S(=O)(=O)c2cc(Cl)ccc2Br)CC[C@H]1[NH3+] ZINC000647269442 565651856 /nfs/dbraw/zinc/65/18/56/565651856.db2.gz SMTKROZMWAWGNQ-BXKDBHETSA-N 1 0 381.723 2.850 20 0 GFADRO CCOc1ccc(S(=O)(=O)N2CC[C@@H]([NH3+])[C@@H](CC)C2)cc1Br ZINC000647268768 565651864 /nfs/dbraw/zinc/65/18/64/565651864.db2.gz HGQQDLAURZPLFE-SMDDNHRTSA-N 1 0 391.331 2.596 20 0 GFADRO CN(C)C(=O)CN(CC[NH+](C)C)Cc1ccc(Cl)cc1Br ZINC000668558782 565653180 /nfs/dbraw/zinc/65/31/80/565653180.db2.gz RWLFXOQRRXSYKY-UHFFFAOYSA-N 1 0 376.726 2.554 20 0 GFADRO O=S(=O)(Cc1ccc(Cl)cc1Br)N[C@H]1CCC[NH2+]CC1 ZINC000647285672 565654019 /nfs/dbraw/zinc/65/40/19/565654019.db2.gz MHLRSCRORSNGQW-LBPRGKRZSA-N 1 0 381.723 2.664 20 0 GFADRO CSc1cc(Br)ccc1CN(CC[NH+](C)C)CC(=O)N(C)C ZINC000668558928 565654067 /nfs/dbraw/zinc/65/40/67/565654067.db2.gz VFVRODPWHJQUHG-UHFFFAOYSA-N 1 0 388.375 2.623 20 0 GFADRO OCC1(O)CC[NH+](Cc2cnc(-c3ccc(Br)cc3)s2)CC1 ZINC000668548057 565654552 /nfs/dbraw/zinc/65/45/52/565654552.db2.gz FDDFZXKPQAWAAG-UHFFFAOYSA-N 1 0 383.311 2.892 20 0 GFADRO CC[C@H](C)C[C@H](CO)[NH2+][C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000647336561 565657585 /nfs/dbraw/zinc/65/75/85/565657585.db2.gz CJHNEBWSZPMOEB-GMXVVIOVSA-N 1 0 393.347 2.544 20 0 GFADRO Cc1c(F)c(Br)ccc1C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000668639650 565657988 /nfs/dbraw/zinc/65/79/88/565657988.db2.gz KGSXMTOKFYLHFR-CYBMUJFWSA-N 1 0 398.320 2.795 20 0 GFADRO C[C@@H](CNC(=O)c1c(Cl)cccc1Br)C[NH+]1CCN(C)CC1 ZINC000668684569 565660556 /nfs/dbraw/zinc/66/05/56/565660556.db2.gz NAHYWCFPSVKIBA-LBPRGKRZSA-N 1 0 388.737 2.716 20 0 GFADRO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)Nc1ccc(Br)c2ccccc12 ZINC000647494614 565661645 /nfs/dbraw/zinc/66/16/45/565661645.db2.gz FHXDJLLIICVXNJ-WDEREUQCSA-N 1 0 378.270 2.783 20 0 GFADRO CCOc1cc(C[NH2+]C2CCN([C@@H]3CCOC3)CC2)cc(Br)c1O ZINC000668694099 565662347 /nfs/dbraw/zinc/66/23/47/565662347.db2.gz ZPFPQBRACTVCBN-OAHLLOKOSA-N 1 0 399.329 2.896 20 0 GFADRO CN(CCOCC[NH3+])C(=O)Nc1ccc(Br)cc1Br ZINC000625833683 565662765 /nfs/dbraw/zinc/66/27/65/565662765.db2.gz XRZNZWHFEBUONW-UHFFFAOYSA-N 1 0 395.095 2.651 20 0 GFADRO CC[C@H](C)C[C@H](CO)[NH2+]C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000647525056 565662904 /nfs/dbraw/zinc/66/29/04/565662904.db2.gz UZKSXMNNFRLCFJ-GLQYFDAESA-N 1 0 378.282 2.715 20 0 GFADRO OC[C@H](C[NH2+]C[C@H](O)COc1ccccc1)Cc1ccc(Br)cc1 ZINC000647535196 565664127 /nfs/dbraw/zinc/66/41/27/565664127.db2.gz VGHKYKQTDIRADJ-WMZOPIPTSA-N 1 0 394.309 2.630 20 0 GFADRO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CCC(Sc2ccc(Cl)cc2)CC1 ZINC000647597830 565665020 /nfs/dbraw/zinc/66/50/20/565665020.db2.gz RWCCNEJSTJSVJU-STQMWFEESA-N 1 0 383.945 2.665 20 0 GFADRO C[C@H](NC(=O)N[C@@H](C[NH3+])C(F)(F)F)c1cc(F)c(Br)cc1F ZINC000625899513 565665723 /nfs/dbraw/zinc/66/57/23/565665723.db2.gz VUEMJQRKJABYIC-RRAGMBSWSA-N 1 0 390.150 2.977 20 0 GFADRO COc1ncc(Br)cc1CNC(=O)Nc1ccc(OCC[NH3+])cc1 ZINC000625896651 565665850 /nfs/dbraw/zinc/66/58/50/565665850.db2.gz SMZRBWUOPMKNIB-UHFFFAOYSA-N 1 0 395.257 2.512 20 0 GFADRO [NH3+]C1(CNC(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CC2)CCCCCC1 ZINC000647651777 565669441 /nfs/dbraw/zinc/66/94/41/565669441.db2.gz NQHHGASTIRIFHJ-UHFFFAOYSA-N 1 0 384.929 2.814 20 0 GFADRO O=C(NCCC[NH+]1CCC(O)CC1)c1cc2cc(Br)sc2[nH]1 ZINC000668895327 565670398 /nfs/dbraw/zinc/67/03/98/565670398.db2.gz KRDSNBLUJQAZDP-UHFFFAOYSA-N 1 0 386.315 2.569 20 0 GFADRO O=C(Cc1csc(-c2ccc(Cl)s2)n1)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000647707246 565671999 /nfs/dbraw/zinc/67/19/99/565671999.db2.gz ZMDLUCNUWRBXPU-QWHCGFSZSA-N 1 0 397.953 2.735 20 0 GFADRO O=C(C[NH2+][C@H](CCO)c1cc(Cl)cc(Cl)c1)N1CCOC[C@@H]1C1CC1 ZINC000626101380 565675353 /nfs/dbraw/zinc/67/53/53/565675353.db2.gz QNGZPVJQHUMAGF-IAGOWNOFSA-N 1 0 387.307 2.644 20 0 GFADRO Cc1noc([C@@H]2OCC[C@@H]2[NH2+]C[C@H](O)COc2cc(Cl)ccc2Cl)n1 ZINC000626146127 565678157 /nfs/dbraw/zinc/67/81/57/565678157.db2.gz PVJRAHWPKIKJAO-CORIIIEPSA-N 1 0 388.251 2.544 20 0 GFADRO O=C(CN(C1CC1)C1CC[NH2+]CC1)Nc1c(F)cc(F)cc1Br ZINC000647814437 565678566 /nfs/dbraw/zinc/67/85/66/565678566.db2.gz NZIQZBDIIRRFFZ-UHFFFAOYSA-N 1 0 388.256 2.882 20 0 GFADRO C[N@@H+]1CCC[C@H]1[C@H]1COCCN1C(=O)CCOc1cccc(Br)c1 ZINC000647823325 565678616 /nfs/dbraw/zinc/67/86/16/565678616.db2.gz HEYLRMJXAKFGIZ-DLBZAZTESA-N 1 0 397.313 2.540 20 0 GFADRO CNS(=O)(=O)C[C@H]1CCC[N@@H+]([C@@H](C)c2cccc(Br)c2)C1 ZINC000626168200 565680543 /nfs/dbraw/zinc/68/05/43/565680543.db2.gz MQNDTEDUSOZBPS-STQMWFEESA-N 1 0 375.332 2.771 20 0 GFADRO COC(=O)[C@@]1(OC)CC[N@H+](CCC(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000599570675 565689025 /nfs/dbraw/zinc/68/90/25/565689025.db2.gz UZFFJTQVNCCZOS-MRXNPFEDSA-N 1 0 375.252 2.586 20 0 GFADRO COC1(C(=O)NCc2ccc(Br)cc2C(F)(F)F)CC[NH2+]CC1 ZINC000648151621 565692083 /nfs/dbraw/zinc/69/20/83/565692083.db2.gz WZWXLQJQUGQWIH-UHFFFAOYSA-N 1 0 395.219 2.853 20 0 GFADRO C[C@@H]1CC[C@@H](NC(=O)Nc2cc(F)c(F)cc2I)C[NH2+]1 ZINC000599608249 565692505 /nfs/dbraw/zinc/69/25/05/565692505.db2.gz NRLSIPJXVGBDOZ-HTQZYQBOSA-N 1 0 395.191 2.831 20 0 GFADRO COC(=O)c1cc(F)c(Br)cc1NC(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000599606968 565692656 /nfs/dbraw/zinc/69/26/56/565692656.db2.gz SHLSTVYESLKXJV-RKDXNWHRSA-N 1 0 388.237 2.637 20 0 GFADRO O=C(N[C@@H]1CCOc2c(Br)cccc21)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000669580850 565693419 /nfs/dbraw/zinc/69/34/19/565693419.db2.gz PDHXQSCFABPGOA-KCPJHIHWSA-N 1 0 380.286 2.666 20 0 GFADRO C[C@H]1CC[C@H](NC(=O)Nc2cccc(F)c2I)C[NH2+]1 ZINC000599611594 565693551 /nfs/dbraw/zinc/69/35/51/565693551.db2.gz KUZSPBCJCLXZQI-IUCAKERBSA-N 1 0 377.201 2.692 20 0 GFADRO O=C(NCC[N@H+]1CC[C@@H](O)C1)Nc1cc(C(F)(F)F)ccc1Br ZINC000626549654 565699079 /nfs/dbraw/zinc/69/90/79/565699079.db2.gz SGKVBXXBQMMASO-SNVBAGLBSA-N 1 0 396.207 2.656 20 0 GFADRO CC(=O)NCC[N@@H+](CCCc1cnn(C)c1)Cc1ccc(Br)s1 ZINC000669705706 565699287 /nfs/dbraw/zinc/69/92/87/565699287.db2.gz AQQYCUCHZBHYTQ-UHFFFAOYSA-N 1 0 399.358 2.815 20 0 GFADRO O=C(CCc1cccc(F)c1Br)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000648281152 565699751 /nfs/dbraw/zinc/69/97/51/565699751.db2.gz RPZSPFDOPBTAOE-JKSUJKDBSA-N 1 0 399.304 2.578 20 0 GFADRO CO[C@@H]1CC[N@@H+]([C@@H]2CCC[C@@H]2NC(=O)Nc2nccc(Br)c2C)C1 ZINC000626576621 565701257 /nfs/dbraw/zinc/70/12/57/565701257.db2.gz HEDNSIHQEOZBOA-VHDGCEQUSA-N 1 0 397.317 2.916 20 0 GFADRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCC[C@H]1c1ccccc1I ZINC000599939434 565706897 /nfs/dbraw/zinc/70/68/97/565706897.db2.gz XWAONKKSOHSHPO-GLQYFDAESA-N 1 0 399.276 2.888 20 0 GFADRO COc1cc(C(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)ccc1Br ZINC000626667474 565708278 /nfs/dbraw/zinc/70/82/78/565708278.db2.gz QSOOZIRQEFNQGM-CYBMUJFWSA-N 1 0 385.302 2.688 20 0 GFADRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)c2c3ccc(Br)cc3nn2C)C1 ZINC000648414016 565712234 /nfs/dbraw/zinc/71/22/34/565712234.db2.gz GSGCKNOWWBHACZ-ZDUSSCGKSA-N 1 0 379.302 2.891 20 0 GFADRO CC(C)[C@@H]1C[NH2+]CCN1C(=O)C(=O)Nc1cc(Cl)cc(C(F)(F)F)c1 ZINC000626846774 565712977 /nfs/dbraw/zinc/71/29/77/565712977.db2.gz ONSDVBCCNUMFIK-ZDUSSCGKSA-N 1 0 377.794 2.754 20 0 GFADRO O=S1(=O)CCCN1CCC[NH2+]Cc1ccnc2c(Br)cccc12 ZINC000648448733 565714339 /nfs/dbraw/zinc/71/43/39/565714339.db2.gz AVGQBJVWFGPDHN-UHFFFAOYSA-N 1 0 398.326 2.513 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CNC(=O)N1CCOc2ccc(Br)cc2C1 ZINC000670129799 565716214 /nfs/dbraw/zinc/71/62/14/565716214.db2.gz WXBYWRGROAEUCV-HNNXBMFYSA-N 1 0 382.302 2.837 20 0 GFADRO C[NH2+]CCOCCNC(=O)NCc1nc(-c2ccc(Cl)cc2)c(C)s1 ZINC000626947491 565716347 /nfs/dbraw/zinc/71/63/47/565716347.db2.gz UKDMAKRYEXYJMR-UHFFFAOYSA-N 1 0 382.917 2.807 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000626964464 565717079 /nfs/dbraw/zinc/71/70/79/565717079.db2.gz GNAMMHRKFLWTCP-OCCSQVGLSA-N 1 0 397.317 2.526 20 0 GFADRO [NH3+]CCCOCCNC(=O)NCc1cc(Cl)cc(Cl)c1OC(F)F ZINC000626997430 565718905 /nfs/dbraw/zinc/71/89/05/565718905.db2.gz GVFCAMWPXBOQST-UHFFFAOYSA-N 1 0 386.226 2.759 20 0 GFADRO C[NH2+]CCOCCNC(=O)NCc1cc(Cl)cc(Cl)c1OC(F)F ZINC000626997349 565719080 /nfs/dbraw/zinc/71/90/80/565719080.db2.gz DZJUBSRYTNAYBD-UHFFFAOYSA-N 1 0 386.226 2.630 20 0 GFADRO CCSc1cc(CNC(=O)N2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)ccn1 ZINC000627016610 565719726 /nfs/dbraw/zinc/71/97/26/565719726.db2.gz QLCLKZCHZBWXLV-STQMWFEESA-N 1 0 376.448 2.862 20 0 GFADRO CCCOC[C@@H](Cc1cccc(Br)c1)NC(=O)N(CC)CC[NH3+] ZINC000627015966 565719746 /nfs/dbraw/zinc/71/97/46/565719746.db2.gz FADQSGQUHNHBHU-MRXNPFEDSA-N 1 0 386.334 2.777 20 0 GFADRO CCn1c(CNC(=O)N[C@H]2CC[C@H](C)[NH2+]C2)nc2cc(Br)ccc21 ZINC000627019874 565719882 /nfs/dbraw/zinc/71/98/82/565719882.db2.gz SZBHFAIIZSSSLI-AAEUAGOBSA-N 1 0 394.317 2.758 20 0 GFADRO O=C(CCNC(=O)N[C@@H]1CC[NH2+]C12CCC2)Nc1cc(Cl)cc(Cl)c1 ZINC000627046432 565720846 /nfs/dbraw/zinc/72/08/46/565720846.db2.gz RGFBLSKMSRNXNG-CQSZACIVSA-N 1 0 385.295 2.906 20 0 GFADRO C[NH2+]CCOCCN(C)C(=O)N[C@@H]1c2cccc(Br)c2CC1(C)C ZINC000627043026 565720916 /nfs/dbraw/zinc/72/09/16/565720916.db2.gz MGJJSKWUTGYCCV-MRXNPFEDSA-N 1 0 398.345 2.950 20 0 GFADRO O=C(Cc1ccc(F)c(Br)c1)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000670390652 565721517 /nfs/dbraw/zinc/72/15/17/565721517.db2.gz LZQFLBIDCQSKBY-OAHLLOKOSA-N 1 0 399.304 2.844 20 0 GFADRO [NH3+]C1(CNC(=O)NCC/C=C/c2ccc(Br)cc2)CCOCC1 ZINC000627123831 565722779 /nfs/dbraw/zinc/72/27/79/565722779.db2.gz ZNZRCSRCQDSWJJ-HNQUOIGGSA-N 1 0 382.302 2.660 20 0 GFADRO C[C@H](Sc1cc(Cl)ccc1Cl)C(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000670447282 565723375 /nfs/dbraw/zinc/72/33/75/565723375.db2.gz PSKBMKHEBUYJOH-GXTWGEPZSA-N 1 0 388.364 2.980 20 0 GFADRO C[C@H]1CCCC[N@@H+]1CCNC(=O)c1c2ccc(Br)cc2nn1C ZINC000648735213 565725078 /nfs/dbraw/zinc/72/50/78/565725078.db2.gz FXLVGIWXTCFRMH-LBPRGKRZSA-N 1 0 379.302 2.940 20 0 GFADRO CC[NH+]1CCC(CCNC(=O)C(=O)NCc2ccc(Cl)cc2Cl)CC1 ZINC000670490732 565725315 /nfs/dbraw/zinc/72/53/15/565725315.db2.gz MUSXNSOIFABRNT-UHFFFAOYSA-N 1 0 386.323 2.848 20 0 GFADRO CC[NH+]1CCC(CNC(=O)C(=O)NCCc2ccc(Cl)cc2Cl)CC1 ZINC000670495331 565725338 /nfs/dbraw/zinc/72/53/38/565725338.db2.gz DLXWOZNOWFLVSR-UHFFFAOYSA-N 1 0 386.323 2.500 20 0 GFADRO C[C@H](NC(=O)C(=O)N1CC[C@H]2CC[N@H+](C)C[C@@H]21)c1ccc(Cl)cc1Cl ZINC000670530079 565727361 /nfs/dbraw/zinc/72/73/61/565727361.db2.gz ISCJBZTWPZJBBW-OZVIIMIRSA-N 1 0 384.307 2.723 20 0 GFADRO O=C([C@@H]1CCc2cc(Br)ccc21)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000648774279 565728627 /nfs/dbraw/zinc/72/86/27/565728627.db2.gz QPZXMHMQEJDGTA-SQNIBIBYSA-N 1 0 393.325 2.537 20 0 GFADRO O=C(c1cnc(-c2cccc(Cl)c2)s1)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000627269969 565730246 /nfs/dbraw/zinc/73/02/46/565730246.db2.gz ANJQILLFWREXBA-CABCVRRESA-N 1 0 377.897 2.745 20 0 GFADRO O=C(c1cc2ccc(Br)cc2s1)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000627269516 565730685 /nfs/dbraw/zinc/73/06/85/565730685.db2.gz TZOBEMQJYJFAML-KBPBESRZSA-N 1 0 395.322 2.945 20 0 GFADRO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)Nc1cc(Cl)c(Br)cc1F ZINC000627281784 565731953 /nfs/dbraw/zinc/73/19/53/565731953.db2.gz LXUOYXCTNFKNFL-QMMMGPOBSA-N 1 0 394.672 2.637 20 0 GFADRO CCO[C@H](CC[NH+](C)C)CNC(=O)c1c(F)ccc(Br)c1OC ZINC000648816161 565732156 /nfs/dbraw/zinc/73/21/56/565732156.db2.gz GSDLTPMXROKHOL-LLVKDONJSA-N 1 0 391.281 2.683 20 0 GFADRO Cc1cc(SCC(=O)NC[C@@H]2C[NH2+]CCCO2)c(C)cc1Br ZINC000648825324 565732466 /nfs/dbraw/zinc/73/24/66/565732466.db2.gz UGKKXVGOMLJJJQ-ZDUSSCGKSA-N 1 0 387.343 2.653 20 0 GFADRO Cn1ccnc1[C@H]1C[C@H]([NH2+]Cc2cc3c(c(Br)c2)OCO3)CCO1 ZINC000648869690 565735386 /nfs/dbraw/zinc/73/53/86/565735386.db2.gz TUKLSTJJEDEDRH-IUODEOHRSA-N 1 0 394.269 2.921 20 0 GFADRO Cn1nc2cc(Br)ccc2c1C(=O)N1CCC[C@H]([NH+](C)C)CC1 ZINC000648880418 565736329 /nfs/dbraw/zinc/73/63/29/565736329.db2.gz JRKJUSRTTWHVFW-ZDUSSCGKSA-N 1 0 379.302 2.892 20 0 GFADRO C[NH+](C)CCn1cc(NC(=O)[C@@H]2C[C@H]2c2ccc(Br)cc2)cn1 ZINC000648899829 565738297 /nfs/dbraw/zinc/73/82/97/565738297.db2.gz MFLURUZKOBTVST-JKSUJKDBSA-N 1 0 377.286 2.949 20 0 GFADRO C[N@H+](CCOc1ccc(Br)cc1)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000600623371 565739876 /nfs/dbraw/zinc/73/98/76/565739876.db2.gz OQLZMNUDEOLIPQ-ZDUSSCGKSA-N 1 0 395.219 2.923 20 0 GFADRO O=C(NC[C@H]1CCC[N@H+]1CCCO)c1ccc(OC(F)(F)F)c(Cl)c1 ZINC000627569847 565740456 /nfs/dbraw/zinc/74/04/56/565740456.db2.gz LIVCZGQKWPWJAU-GFCCVEGCSA-N 1 0 380.794 2.815 20 0 GFADRO Cc1ccc(Br)cc1CC(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000648936754 565740605 /nfs/dbraw/zinc/74/06/05/565740605.db2.gz JDKNODUAOPRLJV-GOSISDBHSA-N 1 0 394.357 2.538 20 0 GFADRO C[C@H](NCC1([NH3+])CCOCC1)c1ccc(F)c(I)c1 ZINC000600710263 565745542 /nfs/dbraw/zinc/74/55/42/565745542.db2.gz QYXZHRJKXFCHRS-JTQLQIEISA-N 1 0 378.229 2.589 20 0 GFADRO O=C(c1ccc(F)c(Br)c1)N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000627740538 565749077 /nfs/dbraw/zinc/74/90/77/565749077.db2.gz UIXPKBNDYKKPOZ-UHFFFAOYSA-N 1 0 385.277 2.915 20 0 GFADRO C[NH+]1CCC2(CC1)CN(C(=O)c1cc(F)c(F)cc1Br)CCO2 ZINC000649131489 565749805 /nfs/dbraw/zinc/74/98/05/565749805.db2.gz OJZKUAYSDXLBBP-UHFFFAOYSA-N 1 0 389.240 2.664 20 0 GFADRO C[C@@H](C(=O)N1CCOC2(CC[NH+](C)CC2)C1)c1ccc(Br)cc1 ZINC000649131705 565749866 /nfs/dbraw/zinc/74/98/66/565749866.db2.gz XPBDONDNXSWSRQ-CQSZACIVSA-N 1 0 381.314 2.876 20 0 GFADRO C[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3[C@@H]4Cc5c(cccc5Br)[C@@H]43)[C@@H]2C1 ZINC000627836913 565755751 /nfs/dbraw/zinc/75/57/51/565755751.db2.gz NCDMAFHLRNGFQP-SDCWGCLJSA-N 1 0 375.310 2.887 20 0 GFADRO CC(C)[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)N[C@H]1CC[NH2+]C12CCCC2 ZINC000649267423 565756791 /nfs/dbraw/zinc/75/67/91/565756791.db2.gz VWUAQYZCUVJMEP-DZGCQCFKSA-N 1 0 383.945 2.947 20 0 GFADRO O[C@H](COc1cc(F)cc(Br)c1)C[N@@H+]1CC[C@@]2(C1)CCCOC2 ZINC000671255050 565759315 /nfs/dbraw/zinc/75/93/15/565759315.db2.gz YHJQWKQODCJQIX-DOTOQJQBSA-N 1 0 388.277 2.830 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)C(=O)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000627906316 565761824 /nfs/dbraw/zinc/76/18/24/565761824.db2.gz RSHCBQZBCXYELH-OAHLLOKOSA-N 1 0 394.313 2.829 20 0 GFADRO COc1cc(Cl)ccc1S(=O)(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C ZINC000649466620 565762308 /nfs/dbraw/zinc/76/23/08/565762308.db2.gz FFYNNDKXBMGUSN-MRXNPFEDSA-N 1 0 382.913 2.800 20 0 GFADRO O[C@@H]1CCC[C@H]1[NH+]1CCN(Cc2cc(Br)cc(F)c2F)CC1 ZINC000649507836 565763392 /nfs/dbraw/zinc/76/33/92/565763392.db2.gz CVJIBXKVLDBTCH-HUUCEWRRSA-N 1 0 375.257 2.758 20 0 GFADRO Cc1ccc(CC(=O)N2CCC([NH+]3CCOCC3)CC2)c(Br)c1 ZINC000628122114 565774859 /nfs/dbraw/zinc/77/48/59/565774859.db2.gz KSKYMYXKVOCIDY-UHFFFAOYSA-N 1 0 381.314 2.623 20 0 GFADRO C[C@H](C(=O)Nc1cccc(Br)c1)[NH+]1CCC(Cn2cnnc2)CC1 ZINC000649787810 565778581 /nfs/dbraw/zinc/77/85/81/565778581.db2.gz CUFQGLIBYHTGSX-CYBMUJFWSA-N 1 0 392.301 2.780 20 0 GFADRO CN(C(=O)c1cscc1Br)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000671720652 565784385 /nfs/dbraw/zinc/78/43/85/565784385.db2.gz SYWPTTWJXXOWHU-CYBMUJFWSA-N 1 0 386.359 2.751 20 0 GFADRO C[C@@H](C[NH2+]Cc1c(C(F)(F)F)cnn1C)c1ccc(S(C)(=O)=O)cc1 ZINC000628383088 565787146 /nfs/dbraw/zinc/78/71/46/565787146.db2.gz UALAPBFGJFWEKG-NSHDSACASA-N 1 0 375.416 2.736 20 0 GFADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N[C@@H](C)c1ccc(Br)cc1 ZINC000671818600 565787160 /nfs/dbraw/zinc/78/71/60/565787160.db2.gz LZRZXHKIBLQQJI-BBRMVZONSA-N 1 0 396.329 2.617 20 0 GFADRO C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+][C@@H]1CCS(=O)(=O)[C@@H]1C ZINC000628453232 565789595 /nfs/dbraw/zinc/78/95/95/565789595.db2.gz OSEVHEQCNZWTIZ-DMDPSCGWSA-N 1 0 378.416 2.588 20 0 GFADRO O=c1cc(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)nc2ccc(Br)cn12 ZINC000649974964 565790476 /nfs/dbraw/zinc/79/04/76/565790476.db2.gz MBCCWFLOVWIVEK-XYPHTWIQSA-N 1 0 390.281 2.504 20 0 GFADRO CCO[C@@H]1CC[N@H+](Cc2cc(=O)n3cc(Br)ccc3n2)C[C@@H]1C ZINC000649990715 565791009 /nfs/dbraw/zinc/79/10/09/565791009.db2.gz KSWRFIVYQGUYCV-SWLSCSKDSA-N 1 0 380.286 2.704 20 0 GFADRO O=C(c1csc(I)c1)N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000601560402 565792111 /nfs/dbraw/zinc/79/21/11/565792111.db2.gz XENWXPNLGCODAA-ONGXEEELSA-N 1 0 376.263 2.567 20 0 GFADRO COC(=O)c1cc(NC(=O)N2C[C@@H](C[NH3+])[C@H](C)C2)c(C)cc1Br ZINC000601560182 565792231 /nfs/dbraw/zinc/79/22/31/565792231.db2.gz RBJACVPPRGGLDL-GHMZBOCLSA-N 1 0 384.274 2.603 20 0 GFADRO O[C@H]([C@@H]1CC[N@@H+](C[C@H](O)COc2ccc(Cl)c(Cl)c2)C1)C(F)(F)F ZINC000650202966 565806594 /nfs/dbraw/zinc/80/65/94/565806594.db2.gz NUXKESNBJUPOSC-ISTVAULSSA-N 1 0 388.213 2.978 20 0 GFADRO COc1ncc(Br)cc1CNC(=O)c1sccc1C[NH+](C)C ZINC000628796282 565809191 /nfs/dbraw/zinc/80/91/91/565809191.db2.gz PWRIAHWNGKDHNL-UHFFFAOYSA-N 1 0 384.299 2.906 20 0 GFADRO CN(C)S(=O)(=O)N1CCC[C@@H]([NH2+][C@H]2CCc3c2ccc(Cl)c3Cl)C1 ZINC000672616368 565812431 /nfs/dbraw/zinc/81/24/31/565812431.db2.gz BAPCBBSKVPEFPA-ABAIWWIYSA-N 1 0 392.352 2.841 20 0 GFADRO Cc1ccc(Br)c(S(=O)(=O)NCC[NH2+][C@H]2CC[C@H]2C2CC2)c1 ZINC000672614241 565813078 /nfs/dbraw/zinc/81/30/78/565813078.db2.gz BHPASYZANRXNAZ-ZFWWWQNUSA-N 1 0 387.343 2.814 20 0 GFADRO CC(=O)NCC[C@H]1CCC[N@H+](C[C@H](O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000672576637 565813322 /nfs/dbraw/zinc/81/33/22/565813322.db2.gz NUEIKRCEAGMYRB-CABCVRRESA-N 1 0 389.323 2.971 20 0 GFADRO CC[C@H](C[NH+]1CCCC1)NC(=O)Nc1cccc(C(=O)NC)c1Br ZINC000672835706 565819167 /nfs/dbraw/zinc/81/91/67/565819167.db2.gz IYPIUJVJSRUQRY-GFCCVEGCSA-N 1 0 397.317 2.805 20 0 GFADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)c3cnc4ncc(Br)cc4c3)[C@H]2C1 ZINC000672939218 565822839 /nfs/dbraw/zinc/82/28/39/565822839.db2.gz PLTWNKGZKPHTNU-ABAIWWIYSA-N 1 0 375.270 2.559 20 0 GFADRO Cc1cc(C(=O)N[C@]2(C)CC[NH2+]C2)c(I)cc1Cl ZINC000602526663 565853002 /nfs/dbraw/zinc/85/30/02/565853002.db2.gz FOXRQWUSECCYRO-CYBMUJFWSA-N 1 0 378.641 2.735 20 0 GFADRO COC(=O)C[C@](C)(NC(=O)C[C@@H]1CC[N@H+](C)C1)c1ccc(Br)cc1 ZINC000602146729 565825326 /nfs/dbraw/zinc/82/53/26/565825326.db2.gz CJJJCICSJPVQAJ-UGSOOPFHSA-N 1 0 397.313 2.685 20 0 GFADRO Cc1c(I)cccc1C(=O)N[C@H]1C[C@@H]([NH+]2CCCC2)C1 ZINC000602167651 565827690 /nfs/dbraw/zinc/82/76/90/565827690.db2.gz PXJBQTPHFZHTNZ-BETUJISGSA-N 1 0 384.261 2.956 20 0 GFADRO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCN(Cc3cnc4ccc(Br)cn34)C2)C1 ZINC000650706356 565832995 /nfs/dbraw/zinc/83/29/95/565832995.db2.gz JCFWHUYTAUWTAI-FRFSOERESA-N 1 0 393.329 2.815 20 0 GFADRO O=C(CCSc1ccccc1Br)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000673511910 565837177 /nfs/dbraw/zinc/83/71/77/565837177.db2.gz FWHRQPVYPUSYST-KBPBESRZSA-N 1 0 399.354 2.599 20 0 GFADRO C[NH+](C)C[C@@H](CO)NC(=O)c1ccccc1Oc1cccc(Br)c1 ZINC000673519756 565838875 /nfs/dbraw/zinc/83/88/75/565838875.db2.gz FPTSNNBTVIFKOF-AWEZNQCLSA-N 1 0 393.281 2.894 20 0 GFADRO Cc1cc(Br)cc2cc(C(=O)N3CC[C@H]([N@@H+]4CC[C@@H](O)C4)C3)oc21 ZINC000673515586 565839050 /nfs/dbraw/zinc/83/90/50/565839050.db2.gz CVWQQFQPXLYKOZ-LSDHHAIUSA-N 1 0 393.281 2.785 20 0 GFADRO Cc1nc(-c2cccs2)c(CC(=O)N[C@H]2CCC[N@H+](CCCO)C2)s1 ZINC000650983325 565842366 /nfs/dbraw/zinc/84/23/66/565842366.db2.gz HKUZDHMQOYWTQK-AWEZNQCLSA-N 1 0 379.551 2.686 20 0 GFADRO Cc1cc(C[NH2+][C@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)ccc1Br ZINC000673629928 565844352 /nfs/dbraw/zinc/84/43/52/565844352.db2.gz XNZDHYNSZPFPJG-WBMJQRKESA-N 1 0 377.286 2.775 20 0 GFADRO Cc1cc(C(=O)N[C@H](C[NH3+])C2CC2)c(I)cc1Cl ZINC000602434035 565847321 /nfs/dbraw/zinc/84/73/21/565847321.db2.gz OZFUOUFQOIIJOG-GFCCVEGCSA-N 1 0 378.641 2.720 20 0 GFADRO Cc1cc(C(=O)N[C@H]2CC[NH2+]C[C@H]2C)c(I)cc1Cl ZINC000602490668 565850837 /nfs/dbraw/zinc/85/08/37/565850837.db2.gz CVHMPVQNENEUMI-RNCFNFMXSA-N 1 0 392.668 2.981 20 0 GFADRO O=C(N[C@@H]1CC[NH2+]C12CCC2)c1cc(F)c(F)cc1I ZINC000602531093 565853558 /nfs/dbraw/zinc/85/35/58/565853558.db2.gz IAGFRKJIGIMWQT-GFCCVEGCSA-N 1 0 392.187 2.584 20 0 GFADRO COC(=O)c1cc(C[NH2+]C(C)(C)COc2ncccc2Br)on1 ZINC000602574788 565855269 /nfs/dbraw/zinc/85/52/69/565855269.db2.gz NLNQJJUOBMYTIZ-UHFFFAOYSA-N 1 0 384.230 2.566 20 0 GFADRO [NH3+]CC1(NC(=O)c2cc(F)ccc2I)CCCCC1 ZINC000602599555 565856626 /nfs/dbraw/zinc/85/66/26/565856626.db2.gz BIKHXVZNBPBCHE-UHFFFAOYSA-N 1 0 376.213 2.822 20 0 GFADRO C[C@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH2+]C[C@H]1COCCN1 ZINC000629533309 565857985 /nfs/dbraw/zinc/85/79/85/565857985.db2.gz TYGIDBUVEWONKO-PWSUYJOCSA-N 1 0 379.810 2.654 20 0 GFADRO COc1ncc(Br)cc1C[NH2+]C[C@H](O)COc1ccc(F)cc1 ZINC000629593553 565861903 /nfs/dbraw/zinc/86/19/03/565861903.db2.gz QGHMCUAWZBKRAU-AWEZNQCLSA-N 1 0 385.233 2.521 20 0 GFADRO C[C@]12C[NH2+]C[C@@]1(C)CN(Cc1nc(-c3cccc(Br)c3)no1)C2 ZINC000629595966 565861981 /nfs/dbraw/zinc/86/19/81/565861981.db2.gz OHRDBUHIHARLFH-CALCHBBNSA-N 1 0 377.286 2.931 20 0 GFADRO CC(C)(C[NH2+]Cc1ccc(I)s1)[C@@]1(O)CCOC1 ZINC000602697408 565864166 /nfs/dbraw/zinc/86/41/66/565864166.db2.gz PSXRZQZWWMZXDM-CYBMUJFWSA-N 1 0 381.279 2.620 20 0 GFADRO C[C@H]1C[NH+](CCCCNC(=O)c2nscc2Br)C[C@H](C)O1 ZINC000651461056 565864349 /nfs/dbraw/zinc/86/43/49/565864349.db2.gz IHORRJSKOQFNBO-QWRGUYRKSA-N 1 0 376.320 2.525 20 0 GFADRO COc1ccc(Br)cc1C[C@@H](CO)C[NH2+][C@@H](C)c1c[nH]nc1C ZINC000651466804 565864815 /nfs/dbraw/zinc/86/48/15/565864815.db2.gz TWPOOMQGJZLQIW-WCQYABFASA-N 1 0 382.302 2.991 20 0 GFADRO COC(=O)c1nn(-c2ccc(Cl)c(Cl)c2)cc1C[NH2+][C@H]1C[C@@H](CO)C1 ZINC000602722660 565865602 /nfs/dbraw/zinc/86/56/02/565865602.db2.gz ASKLZZBUYLPIDG-KLPPZKSPSA-N 1 0 384.263 2.826 20 0 GFADRO COC1CC[NH+](CCNC(=O)CCOc2ccc(Cl)c(Cl)c2)CC1 ZINC000674311160 565867052 /nfs/dbraw/zinc/86/70/52/565867052.db2.gz HUFHSPMFDUBFQK-UHFFFAOYSA-N 1 0 375.296 2.989 20 0 GFADRO COC1CC[NH+](CCNC(=O)C(C)(C)c2ccc(Br)cc2)CC1 ZINC000674311418 565867433 /nfs/dbraw/zinc/86/74/33/565867433.db2.gz PBLXAKRQKGNFSA-UHFFFAOYSA-N 1 0 383.330 2.954 20 0 GFADRO COC1CC[NH+](CCNC(=O)C(C)(C)c2cccc(Br)c2)CC1 ZINC000674310013 565867590 /nfs/dbraw/zinc/86/75/90/565867590.db2.gz UQPKUMFYNXWKAJ-UHFFFAOYSA-N 1 0 383.330 2.954 20 0 GFADRO C[N@H+](C[C@@H](O)COc1ccc(Cl)cc1Br)C[C@H](O)C1CC1 ZINC000674313243 565868440 /nfs/dbraw/zinc/86/84/40/565868440.db2.gz IYIPKPHLQQHJRY-OCCSQVGLSA-N 1 0 378.694 2.545 20 0 GFADRO CC[C@@H](C[NH+]1CCCC1)NS(=O)(=O)c1sc(C)cc1Br ZINC000674346137 565870602 /nfs/dbraw/zinc/87/06/02/565870602.db2.gz HTJMWJCOZOQQOB-NSHDSACASA-N 1 0 381.361 2.972 20 0 GFADRO COC(=O)c1occc1CN1CC[C@@H](Oc2cncc(Br)c2)C1 ZINC000602880213 565873601 /nfs/dbraw/zinc/87/36/01/565873601.db2.gz FQQXFVACRHLYNO-CYBMUJFWSA-N 1 0 381.226 2.877 20 0 GFADRO O=C(CCSc1ccnc2cc(Cl)ccc21)NCC[N@H+]1CC[C@H](O)C1 ZINC000629914458 565875116 /nfs/dbraw/zinc/87/51/16/565875116.db2.gz UULUWKLOHFZTGV-AWEZNQCLSA-N 1 0 379.913 2.553 20 0 GFADRO C[NH+](C)[C@]1(CNC(=O)N2C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C2)CCSC1 ZINC000674639790 565879207 /nfs/dbraw/zinc/87/92/07/565879207.db2.gz YMSKWSAVAAZXBY-NHCYSSNCSA-N 1 0 393.397 2.806 20 0 GFADRO O[C@@H](C[N@@H+]1CCC[C@H]1c1ccc(Br)cc1)CC1(O)CCOCC1 ZINC000630041695 565880758 /nfs/dbraw/zinc/88/07/58/565880758.db2.gz RVIZYGCYAVNVMX-SJORKVTESA-N 1 0 384.314 2.879 20 0 GFADRO O[C@@H](C[NH+]1CCC(c2ccc(Br)cc2)CC1)CC1(O)CCOCC1 ZINC000630038902 565881063 /nfs/dbraw/zinc/88/10/63/565881063.db2.gz DDONOSJHHBTXCI-GOSISDBHSA-N 1 0 398.341 2.921 20 0 GFADRO O[C@H](C[N@@H+](Cc1cccc(Br)c1)CC1CC1)CC1(O)CCOCC1 ZINC000630039446 565881106 /nfs/dbraw/zinc/88/11/06/565881106.db2.gz DZYDDZHYXXIOLY-SFHVURJKSA-N 1 0 398.341 2.954 20 0 GFADRO O[C@H](C[N@@H+]1CCC[C@@H]1c1ccccc1Br)CC1(O)CCOCC1 ZINC000630036647 565881116 /nfs/dbraw/zinc/88/11/16/565881116.db2.gz GRCOGXFQTYRSEE-WMLDXEAASA-N 1 0 384.314 2.879 20 0 GFADRO C[NH+](C)C[C@H]1CN(C(=O)c2ncsc2Br)c2ccccc2O1 ZINC000675220416 565894986 /nfs/dbraw/zinc/89/49/86/565894986.db2.gz KARRDPCGNMDYGR-JTQLQIEISA-N 1 0 382.283 2.875 20 0 GFADRO Cc1cc(Br)cc(C[NH2+]CC[C@@]2(O)CCOC2)c1OC(F)F ZINC000651944411 565906693 /nfs/dbraw/zinc/90/66/93/565906693.db2.gz VFNCRUZVMYYKRD-OAHLLOKOSA-N 1 0 380.229 2.990 20 0 GFADRO O[C@@H]1CC[N@@H+](C2CN(Cc3ccc(Br)cc3C(F)(F)F)C2)C1 ZINC000651977516 565908726 /nfs/dbraw/zinc/90/87/26/565908726.db2.gz NUUAUCUOAXEBSU-CYBMUJFWSA-N 1 0 379.220 2.719 20 0 GFADRO Cc1c([C@H](C)[NH2+]CCCN(C)S(C)(=O)=O)cnn1-c1cccc(Cl)c1 ZINC000675745346 565913549 /nfs/dbraw/zinc/91/35/49/565913549.db2.gz KVWGXRINPMHQGZ-ZDUSSCGKSA-N 1 0 384.933 2.766 20 0 GFADRO Cc1nc(N(C)C)nc(N2CCO[C@H](c3ccc(Br)cc3)C2)n1 ZINC000675720504 565913897 /nfs/dbraw/zinc/91/38/97/565913897.db2.gz AGXKNQIHGQHCMW-AWEZNQCLSA-N 1 0 378.274 2.586 20 0 GFADRO CC[C@@H]([NH2+]CCN1CCN(S(C)(=O)=O)CC1)c1ccc(Cl)cc1Cl ZINC000675819610 565915591 /nfs/dbraw/zinc/91/55/91/565915591.db2.gz RBXSXPGPLIGJQZ-MRXNPFEDSA-N 1 0 394.368 2.611 20 0 GFADRO C[N@@H+]1CCCN(CCCNC(=O)[C@H]2C[C@H]2c2ccc(Br)cc2)CC1 ZINC000603811990 565916083 /nfs/dbraw/zinc/91/60/83/565916083.db2.gz BYNBFYNGACIBSZ-ROUUACIJSA-N 1 0 394.357 2.696 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(C(=O)NCc3ccccc3Br)C2)C1 ZINC000652142618 565916637 /nfs/dbraw/zinc/91/66/37/565916637.db2.gz XEVLKUDOEIVFLL-INMHGKMJSA-N 1 0 396.329 2.877 20 0 GFADRO [NH3+]CC1(CCNC(=O)N[C@H](CO)c2ccc(Cl)cc2C(F)(F)F)CC1 ZINC000652235394 565919834 /nfs/dbraw/zinc/91/98/34/565919834.db2.gz DHONEXFLBXRAFK-CYBMUJFWSA-N 1 0 379.810 2.820 20 0 GFADRO CN1CCC([N@@H+]2CC[C@@H](NC(=O)NCc3c(Cl)cccc3Cl)C2)CC1 ZINC000604184929 565924208 /nfs/dbraw/zinc/92/42/08/565924208.db2.gz KPDJNCMPFFWWPD-CYBMUJFWSA-N 1 0 385.339 2.961 20 0 GFADRO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCCN2CC(=O)Nc2ccccc2Br)C1 ZINC000652360660 565924875 /nfs/dbraw/zinc/92/48/75/565924875.db2.gz NREDONOLAFENDH-XOKHGSTOSA-N 1 0 396.329 2.748 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2S(=O)(=O)c2csc3ccccc32)C1 ZINC000652383406 565927611 /nfs/dbraw/zinc/92/76/11/565927611.db2.gz QIGPYTQOJNYFFY-BMFZPTHFSA-N 1 0 380.535 2.951 20 0 GFADRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)COc3c(Cl)cccc3Cl)CC2)C1 ZINC000604350490 565928366 /nfs/dbraw/zinc/92/83/66/565928366.db2.gz CHHSTAMQKGPWCF-CQSZACIVSA-N 1 0 386.323 2.611 20 0 GFADRO C[N@@H+]1CCC[C@@H](N2CCN(CCOc3cccc(Br)c3)CC2)C1 ZINC000604388829 565928496 /nfs/dbraw/zinc/92/84/96/565928496.db2.gz FGCSSKYIZOGBNI-QGZVFWFLSA-N 1 0 382.346 2.540 20 0 GFADRO C[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCOc4ccc(Br)cc43)[C@@H]2C1 ZINC000652467062 565931189 /nfs/dbraw/zinc/93/11/89/565931189.db2.gz JAIRYHKLTSFIPS-JGGQBBKZSA-N 1 0 379.298 2.868 20 0 GFADRO CCO[C@@H]1CN(C(=O)Nc2nc3c(cccc3Br)s2)C[C@H]1C[NH3+] ZINC000652605602 565934570 /nfs/dbraw/zinc/93/45/70/565934570.db2.gz MRKVXVLXMVFTGC-MWLCHTKSSA-N 1 0 399.314 2.886 20 0 GFADRO CCO[C@@H]1CN(C(=O)Nc2cc(Br)c(C)cc2OC)C[C@H]1C[NH3+] ZINC000652594640 565935196 /nfs/dbraw/zinc/93/51/96/565935196.db2.gz BIWBSWBVIWXBCM-IAQYHMDHSA-N 1 0 386.290 2.594 20 0 GFADRO CCOc1ccc(C[NH2+]Cc2ccc(Cl)c(S(N)(=O)=O)c2)cc1OC ZINC000631040223 565935636 /nfs/dbraw/zinc/93/56/36/565935636.db2.gz HVRXAQWFZPPMIS-UHFFFAOYSA-N 1 0 384.885 2.685 20 0 GFADRO Cc1ncc(Br)cc1NC(=O)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652608593 565935819 /nfs/dbraw/zinc/93/58/19/565935819.db2.gz XLPSZSJJPNUUCE-BJJXKVORSA-N 1 0 397.317 2.903 20 0 GFADRO CC(=O)N[C@H](C)c1ccc(S(=O)(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)s1 ZINC000604770870 565936559 /nfs/dbraw/zinc/93/65/59/565936559.db2.gz BPYDELMAYSRXRO-IUODEOHRSA-N 1 0 389.587 2.590 20 0 GFADRO CC(C)[NH+]1CCC(O)(CNCc2ncc(Br)cc2Cl)CC1 ZINC000631091755 565939760 /nfs/dbraw/zinc/93/97/60/565939760.db2.gz SBZWAIIGBLUCDL-UHFFFAOYSA-N 1 0 376.726 2.822 20 0 GFADRO COc1ccc2c(c1)CC[C@H]([NH2+]Cc1ccc(Cl)c(S(N)(=O)=O)c1)C2 ZINC000631110518 565941071 /nfs/dbraw/zinc/94/10/71/565941071.db2.gz IRDYTFDOYZQRKA-HNNXBMFYSA-N 1 0 380.897 2.643 20 0 GFADRO NS(=O)(=O)c1cc(C[NH2+][C@@H](c2ccccc2)[C@H]2CCOC2)ccc1Cl ZINC000631106367 565941804 /nfs/dbraw/zinc/94/18/04/565941804.db2.gz SBVOKTDRWDSVGR-YJBOKZPZSA-N 1 0 380.897 2.855 20 0 GFADRO COc1cc(CNC2(CCO)CC[NH+](C)CC2)c(F)cc1Br ZINC000631166066 565945632 /nfs/dbraw/zinc/94/56/32/565945632.db2.gz FJNAFCMQKXQOHX-UHFFFAOYSA-N 1 0 375.282 2.533 20 0 GFADRO COc1cc(C[NH2+]CC(C)(C)[C@]2(O)CCOC2)c(F)cc1Br ZINC000631164397 565945883 /nfs/dbraw/zinc/94/58/83/565945883.db2.gz CPYWYHQHXXMZDJ-INIZCTEOSA-N 1 0 376.266 2.864 20 0 GFADRO CCN1CC[NH+](C[C@H](C)CNC(=O)c2scc(Br)c2C)CC1 ZINC000631275179 565952331 /nfs/dbraw/zinc/95/23/31/565952331.db2.gz BODAKGDLLCNXHH-GFCCVEGCSA-N 1 0 388.375 2.822 20 0 GFADRO C[NH+](C)CC1CCN(C(=O)c2ccc3cncc(Br)c3n2)CC1 ZINC000631272552 565952746 /nfs/dbraw/zinc/95/27/46/565952746.db2.gz GMDUCCSJIHOYAF-UHFFFAOYSA-N 1 0 377.286 2.806 20 0 GFADRO C[NH+](C)C1CCC(Nc2cccc(OC(F)(F)F)c2S(N)(=O)=O)CC1 ZINC000631309989 565953397 /nfs/dbraw/zinc/95/33/97/565953397.db2.gz SURAAPJHSPIUBX-UHFFFAOYSA-N 1 0 381.420 2.517 20 0 GFADRO C[C@@H]1Cc2cc(S(=O)(=O)NCc3ccc(N(C)C)nc3)cc(Cl)c2O1 ZINC000605578147 565953858 /nfs/dbraw/zinc/95/38/58/565953858.db2.gz DYQXCBLDCKZSMA-LLVKDONJSA-N 1 0 381.885 2.603 20 0 GFADRO O=C(NC1(c2cccc(Br)c2)CCOCC1)[C@@H]1CCC[NH2+]CC1 ZINC000653077932 565954272 /nfs/dbraw/zinc/95/42/72/565954272.db2.gz PCNDDSZZLUFYGA-CQSZACIVSA-N 1 0 381.314 2.961 20 0 GFADRO C[C@@H]1Cc2cc(S(=O)(=O)N3CC[C@@H]([NH+]4CCCCC4)C3)cc(Cl)c2O1 ZINC000605592231 565954538 /nfs/dbraw/zinc/95/45/38/565954538.db2.gz VJSPUWHSTTZTCW-UKRRQHHQSA-N 1 0 384.929 2.912 20 0 GFADRO O=C(NC[C@@H]1CCN(c2cccc(Br)c2)C1)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653112546 565955286 /nfs/dbraw/zinc/95/52/86/565955286.db2.gz AODGYMWVIUKYOT-VHSSKADRSA-N 1 0 392.341 2.922 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@H]1CNc1cccc(OC(F)(F)F)c1S(N)(=O)=O ZINC000631349878 565956035 /nfs/dbraw/zinc/95/60/35/565956035.db2.gz OJVGTFOCOOPJND-JTQLQIEISA-N 1 0 381.420 2.517 20 0 GFADRO C[C@]1(c2cccc(Br)c2)C[C@@H]1C(=O)NCCC[NH+]1CCC(O)CC1 ZINC000631372921 565956051 /nfs/dbraw/zinc/95/60/51/565956051.db2.gz RVTUHXWSQBDNJZ-IEBWSBKVSA-N 1 0 395.341 2.690 20 0 GFADRO Cc1cc(Cl)c(C)c(S(=O)(=O)NCC2([NH+](C)C)CCOCC2)c1Cl ZINC000605787561 565956522 /nfs/dbraw/zinc/95/65/22/565956522.db2.gz MEJYLEZDBOGICR-UHFFFAOYSA-N 1 0 395.352 2.999 20 0 GFADRO COCC[NH2+]C1CCN(C(=O)c2cc3c(cncc3Br)s2)CC1 ZINC000653180179 565957329 /nfs/dbraw/zinc/95/73/29/565957329.db2.gz ZQGADLBFRLHZIK-UHFFFAOYSA-N 1 0 398.326 2.899 20 0 GFADRO CC1([NH+]2CCCC2)CCN(C(=O)c2nc3ccc(Br)cn3n2)CC1 ZINC000631498757 565960157 /nfs/dbraw/zinc/96/01/57/565960157.db2.gz PHDALMIULSGLRU-UHFFFAOYSA-N 1 0 392.301 2.582 20 0 GFADRO CC(C)c1n[nH]c(C(=O)N2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)c1Br ZINC000653262529 565960635 /nfs/dbraw/zinc/96/06/35/565960635.db2.gz FNRSGQSXADNNON-JHJVBQTASA-N 1 0 399.333 2.797 20 0 GFADRO CCO[C@@H]1CN(C(=O)[C@@H](CC)Cc2cccc(Br)c2)C[C@H]1C[NH3+] ZINC000653246556 565960781 /nfs/dbraw/zinc/96/07/81/565960781.db2.gz RESRYIFOYOOQKR-ZMSDIMECSA-N 1 0 383.330 2.840 20 0 GFADRO CC[NH+](CC)[C@H](CNS(=O)(=O)c1cnc(C)s1)c1cccc(OC)c1 ZINC000677239324 565965598 /nfs/dbraw/zinc/96/55/98/565965598.db2.gz RKPCONFDEYGOJZ-MRXNPFEDSA-N 1 0 383.539 2.822 20 0 GFADRO C[C@H]([NH2+][C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21)C1CCS(=O)(=O)CC1 ZINC000631662355 565966534 /nfs/dbraw/zinc/96/65/34/565966534.db2.gz DQOWXGPNAPKOCE-KYTKNBDNSA-N 1 0 384.339 2.890 20 0 GFADRO CNS(=O)(=O)CCC[NH2+][C@H]1CCCc2nc(-c3ccccc3F)sc21 ZINC000631708197 565968289 /nfs/dbraw/zinc/96/82/89/565968289.db2.gz CIQIZWWPYFLFDR-AWEZNQCLSA-N 1 0 383.514 2.856 20 0 GFADRO O=S(=O)(CCC[NH+]1CCCC1)NCc1ccccc1OCC(F)(F)F ZINC000631781417 565973463 /nfs/dbraw/zinc/97/34/63/565973463.db2.gz JQFQWJBOJWWUCF-UHFFFAOYSA-N 1 0 380.432 2.533 20 0 GFADRO CO[C@@H](C(=O)Nc1cnn(CC[NH+](C)C)c1)c1ccccc1Br ZINC000653615023 565973537 /nfs/dbraw/zinc/97/35/37/565973537.db2.gz WRBGPLNNHPITAN-OAHLLOKOSA-N 1 0 381.274 2.533 20 0 GFADRO CC(C)[NH2+][C@H]1CCCN(C(=O)c2ccc(Br)cc2-n2cncn2)C1 ZINC000677645110 565979777 /nfs/dbraw/zinc/97/97/77/565979777.db2.gz ZNYYQOOKDIYOIX-AWEZNQCLSA-N 1 0 392.301 2.632 20 0 GFADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3cc(Br)c4nccn4c3)CC[C@H]21 ZINC000631881819 565979862 /nfs/dbraw/zinc/97/98/62/565979862.db2.gz JWDISEOVRBWIHC-IUODEOHRSA-N 1 0 377.286 2.653 20 0 GFADRO CN(Cc1cc(Br)cs1)C(=O)C[NH+]1CCC2(CCOC2)CC1 ZINC000677719362 565982155 /nfs/dbraw/zinc/98/21/55/565982155.db2.gz DWOVTYIENSCVED-UHFFFAOYSA-N 1 0 387.343 2.972 20 0 GFADRO CCc1csc(CC2CC[NH+](C[C@H]3CCCN(S(C)(=O)=O)C3)CC2)n1 ZINC000653803015 565982530 /nfs/dbraw/zinc/98/25/30/565982530.db2.gz YMWUJZHLYNOMEZ-MRXNPFEDSA-N 1 0 385.599 2.632 20 0 GFADRO COCCCOc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000631975564 565987369 /nfs/dbraw/zinc/98/73/69/565987369.db2.gz HLOWDLDWMCSLHL-CTYIDZIISA-N 1 0 390.933 2.551 20 0 GFADRO C[C@H](Cc1ccc(Br)cc1)C(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000677964810 565989550 /nfs/dbraw/zinc/98/95/50/565989550.db2.gz GNRWKKCSSLSFFV-FHLIZLRMSA-N 1 0 395.341 2.685 20 0 GFADRO [NH3+]C[C@@H]1Cc2ccccc2N(S(=O)(=O)c2cscc2Br)C1 ZINC000631996669 565989962 /nfs/dbraw/zinc/98/99/62/565989962.db2.gz IWFYVHKEFGLNIH-JTQLQIEISA-N 1 0 387.324 2.837 20 0 GFADRO Cc1ccc(C[C@@H](CO)CNC(=O)[C@@H]2CCCC[N@H+]2C)cc1Br ZINC000654074147 565994680 /nfs/dbraw/zinc/99/46/80/565994680.db2.gz VATIQFDANGZRCH-WBVHZDCISA-N 1 0 383.330 2.509 20 0 GFADRO CC[NH+](CC)[C@@H]1CCN(S(=O)(=O)Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000608049371 566000610 /nfs/dbraw/zinc/00/06/10/566000610.db2.gz AMCZLBCOEFVCDK-CQSZACIVSA-N 1 0 380.432 2.831 20 0 GFADRO COCC[N@@H+]1CCC[C@@H](NC(=O)c2sc(C)c(Br)c2OC)C1 ZINC000608128803 566004299 /nfs/dbraw/zinc/00/42/99/566004299.db2.gz UOHDAIRAHSIGNR-LLVKDONJSA-N 1 0 391.331 2.668 20 0 GFADRO CN1CCC([N@@H+]2CC[C@@H](NC(=O)COc3cc(Cl)cc(Cl)c3)C2)CC1 ZINC000608133724 566005190 /nfs/dbraw/zinc/00/51/90/566005190.db2.gz CZHRHPQOIGGBGD-OAHLLOKOSA-N 1 0 386.323 2.657 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)N1CCOc2cccc(Br)c2C1 ZINC000654381204 566007227 /nfs/dbraw/zinc/00/72/27/566007227.db2.gz KVHUWDPOOJRVSP-KGLIPLIRSA-N 1 0 394.313 2.980 20 0 GFADRO C[N@H+]1CC=C(CNS(=O)(=O)c2ccc(C(F)(F)C(F)(F)F)cc2)CC1 ZINC000632184313 566007960 /nfs/dbraw/zinc/00/79/60/566007960.db2.gz PYMROQIVOIFCMR-UHFFFAOYSA-N 1 0 384.370 2.881 20 0 GFADRO C[C@@H]([NH2+]CCCN1CCCS1(=O)=O)c1ccc(F)cc1Br ZINC000678582545 566013221 /nfs/dbraw/zinc/01/32/21/566013221.db2.gz KJESEJXZFRWJDW-LLVKDONJSA-N 1 0 379.295 2.664 20 0 GFADRO O=C(Nc1ccn(-c2ccc(Cl)cc2Cl)n1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000678579632 566013241 /nfs/dbraw/zinc/01/32/41/566013241.db2.gz RXBQAGURGRVMTG-OAHLLOKOSA-N 1 0 380.279 2.508 20 0 GFADRO C[NH+]1CCC2(CCCN2C(=O)c2cc(Br)c3nccn3c2)CC1 ZINC000632253818 566014350 /nfs/dbraw/zinc/01/43/50/566014350.db2.gz CPGDKTDUPPRCJW-UHFFFAOYSA-N 1 0 377.286 2.797 20 0 GFADRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)N[C@@H]2CCOc3c(Br)cccc32)C1 ZINC000654556015 566014704 /nfs/dbraw/zinc/01/47/04/566014704.db2.gz SGJOUNXHWRNFIQ-TYNCELHUSA-N 1 0 382.302 2.912 20 0 GFADRO C[C@@H]([NH2+]Cc1cc(Br)ccc1OC(F)F)[C@H]1CN(C)CCO1 ZINC000678623151 566015133 /nfs/dbraw/zinc/01/51/33/566015133.db2.gz IDDADMQTOSSNFF-QMTHXVAHSA-N 1 0 379.245 2.859 20 0 GFADRO C[N@H+](CC(=O)N1CCN(C(=O)c2cccc(Cl)c2Cl)CC1)C1CCC1 ZINC000608501039 566015908 /nfs/dbraw/zinc/01/59/08/566015908.db2.gz KOTAHJGLYGUHLB-UHFFFAOYSA-N 1 0 384.307 2.762 20 0 GFADRO CS(=O)(=O)Cc1nc(CN2CCC(C[NH+]3CCCCCC3)CC2)cs1 ZINC000608492376 566016653 /nfs/dbraw/zinc/01/66/53/566016653.db2.gz XVVHCSSDZJZFOD-UHFFFAOYSA-N 1 0 385.599 2.776 20 0 GFADRO C[C@@H]1CC[N@H+](CCNC(=O)c2cc(=O)[nH]c3ccc(Br)cc32)C1 ZINC000608613852 566019602 /nfs/dbraw/zinc/01/96/02/566019602.db2.gz FQEPAAVOIQLQRJ-LLVKDONJSA-N 1 0 378.270 2.775 20 0 GFADRO CCC[N@H+](C)[C@H](CNS(=O)(=O)c1c[nH]c(=O)s1)c1ccc(Cl)cc1 ZINC000632326517 566021890 /nfs/dbraw/zinc/02/18/90/566021890.db2.gz AKZUELUCMYRKER-CYBMUJFWSA-N 1 0 389.930 2.864 20 0 GFADRO C[N@@H+]1CCC[C@]2(CCN(S(=O)(=O)c3cscc3Br)C2)C1 ZINC000632370921 566026288 /nfs/dbraw/zinc/02/62/88/566026288.db2.gz OHBJFSSODKUBLJ-ZDUSSCGKSA-N 1 0 379.345 2.617 20 0 GFADRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)C1 ZINC000654885591 566027349 /nfs/dbraw/zinc/02/73/49/566027349.db2.gz BDFVROQXLUQSMI-JGZJWPJOSA-N 1 0 377.794 2.754 20 0 GFADRO C[C@H]([NH2+]C[C@H]1CCC[C@]12NC(=O)N(C)C2=O)c1sccc1Br ZINC000679066085 566029314 /nfs/dbraw/zinc/02/93/14/566029314.db2.gz PEECGXREENRTPN-WMFXKJRFSA-N 1 0 386.315 2.882 20 0 GFADRO CC1(C)CC[N@H+](CC(=O)N(CCO)Cc2ccc(Br)s2)C1 ZINC000655025401 566034859 /nfs/dbraw/zinc/03/48/59/566034859.db2.gz BPZSOFNOBNZDDW-UHFFFAOYSA-N 1 0 375.332 2.563 20 0 GFADRO NC(=O)C1(C[NH2+][C@@H](c2ccc(Br)cc2)[C@@H]2CCCO2)CCOCC1 ZINC000679332622 566038051 /nfs/dbraw/zinc/03/80/51/566038051.db2.gz XXQFOQATZYLKSO-HOTGVXAUSA-N 1 0 397.313 2.541 20 0 GFADRO NC(=O)c1ccc(C[NH2+][C@@H](c2ccc(Br)cc2)[C@H]2CCCO2)cn1 ZINC000679347737 566039753 /nfs/dbraw/zinc/03/97/53/566039753.db2.gz PZCUBUHAUZRFCO-SJORKVTESA-N 1 0 390.281 2.953 20 0 GFADRO CC(C)(COc1ncccc1C(F)(F)F)[NH2+]CC[C@@H]1CCS(=O)(=O)C1 ZINC000679435498 566040937 /nfs/dbraw/zinc/04/09/37/566040937.db2.gz ADBPMCVLMDVAKT-GFCCVEGCSA-N 1 0 380.432 2.672 20 0 GFADRO COc1cc(C[NH2+][C@@H](C)C(C)(C)O)cc(I)c1OC ZINC000609707793 566050275 /nfs/dbraw/zinc/05/02/75/566050275.db2.gz BNCHEYYRTMGERJ-VIFPVBQESA-N 1 0 379.238 2.557 20 0 GFADRO COc1ccsc1S(=O)(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000632616660 566050844 /nfs/dbraw/zinc/05/08/44/566050844.db2.gz HDKLGSHLXLNPSV-GOEBONIOSA-N 1 0 380.535 2.803 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)CCC[N@@H+]1CC[C@@H](NC(N)=O)C1 ZINC000679823039 566053106 /nfs/dbraw/zinc/05/31/06/566053106.db2.gz UIVJJZNGXGJWAC-CQSZACIVSA-N 1 0 397.317 2.527 20 0 GFADRO O=C(N[C@@H](CCO)c1ccccc1Br)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000679782264 566053234 /nfs/dbraw/zinc/05/32/34/566053234.db2.gz WVAYDUBUEGXJKI-PBHICJAKSA-N 1 0 396.329 2.656 20 0 GFADRO C[NH+](C)Cc1ccc(S(=O)(=O)N2CCC(Cc3nccs3)CC2)cc1 ZINC000632640460 566053222 /nfs/dbraw/zinc/05/32/22/566053222.db2.gz PPHDGVFMUTZORH-UHFFFAOYSA-N 1 0 379.551 2.848 20 0 GFADRO O=C(CNC(=O)c1ccc(Cl)c(Cl)c1)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000655348256 566054081 /nfs/dbraw/zinc/05/40/81/566054081.db2.gz RHAGLWJTICOAJM-CVEARBPZSA-N 1 0 384.307 2.856 20 0 GFADRO CN(CCCC[NH+](C)C)C(=O)c1ccc(I)c(F)c1 ZINC000610111894 566067249 /nfs/dbraw/zinc/06/72/49/566067249.db2.gz IDZYMYAGVCWPSA-UHFFFAOYSA-N 1 0 378.229 2.844 20 0 GFADRO Cc1c(Br)cccc1CS(=O)(=O)N1CC[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000655552256 566067357 /nfs/dbraw/zinc/06/73/57/566067357.db2.gz MLOZQVNBDPAHRD-CZUORRHYSA-N 1 0 387.343 2.613 20 0 GFADRO O=C(N[C@@H](CO)C[NH+]1CCCCC1)c1oc2ccccc2c1Br ZINC000632999439 566078552 /nfs/dbraw/zinc/07/85/52/566078552.db2.gz YYFRCAOHVLCBJR-GFCCVEGCSA-N 1 0 381.270 2.772 20 0 GFADRO [NH3+]CC[C@@H](NC(=O)C(=O)Nc1nc(C2CCCCC2)cs1)C(F)(F)F ZINC000633005656 566079625 /nfs/dbraw/zinc/07/96/25/566079625.db2.gz MELWFOJPOZHVPB-LLVKDONJSA-N 1 0 378.420 2.525 20 0 GFADRO COC(=O)[C@H](c1ccc(Cl)cc1Cl)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000610390822 566079903 /nfs/dbraw/zinc/07/99/03/566079903.db2.gz NUIYTMZSFBVIBI-IKGGRYGDSA-N 1 0 387.307 2.739 20 0 GFADRO O=S(=O)(Cc1ccccc1Br)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000655668277 566079991 /nfs/dbraw/zinc/07/99/91/566079991.db2.gz OZKKOBJDZGMDEU-CVEARBPZSA-N 1 0 387.343 2.885 20 0 GFADRO O=S(=O)(N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccccc1OC(F)(F)F ZINC000655668550 566080047 /nfs/dbraw/zinc/08/00/47/566080047.db2.gz GSIWBTQZPBVNLW-OLZOCXBDSA-N 1 0 378.416 2.880 20 0 GFADRO COc1c(Cl)cc(NC(=O)C(=O)N[C@@H]2CC[NH2+]CC(C)(C)C2)cc1Cl ZINC000633045574 566080330 /nfs/dbraw/zinc/08/03/30/566080330.db2.gz NHCIUYSOJOTHLW-SNVBAGLBSA-N 1 0 388.295 2.835 20 0 GFADRO O=S(=O)(Cc1cccc(Br)c1)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000655669100 566081231 /nfs/dbraw/zinc/08/12/31/566081231.db2.gz XCGNFTQRNWHOSW-HOTGVXAUSA-N 1 0 387.343 2.885 20 0 GFADRO CC[NH+]1CCC(NC(=O)N[C@@H]2[C@H]3Cc4c(cccc4Br)[C@@H]23)CC1 ZINC000633074277 566082887 /nfs/dbraw/zinc/08/28/87/566082887.db2.gz OENDLLXHDIHNCF-USXIJHARSA-N 1 0 378.314 2.871 20 0 GFADRO CN1CC[NH+]([C@H]2CC[C@@H](NC(=O)c3ccc(Br)cc3F)CC2)CC1 ZINC000680842256 566083774 /nfs/dbraw/zinc/08/37/74/566083774.db2.gz ZZCGXXSEMGPBBD-GASCZTMLSA-N 1 0 398.320 2.877 20 0 GFADRO O=S1(=O)CCCN1CCC[NH2+]Cc1oc2ccccc2c1Br ZINC000655729149 566084405 /nfs/dbraw/zinc/08/44/05/566084405.db2.gz HDNUJSRQNLIHJA-UHFFFAOYSA-N 1 0 387.299 2.711 20 0 GFADRO Cc1nn(-c2ccccc2Br)cc1C[NH2+][C@H]1CCCN(C)C1=O ZINC000655743182 566085666 /nfs/dbraw/zinc/08/56/66/566085666.db2.gz CTBSEASNYLOJNN-HNNXBMFYSA-N 1 0 377.286 2.654 20 0 GFADRO Cc1nn(-c2ccccc2Br)cc1C[NH2+]C[C@@H](O)C(F)(F)F ZINC000655767049 566087058 /nfs/dbraw/zinc/08/70/58/566087058.db2.gz XNQKPYAVNZSTPI-CYBMUJFWSA-N 1 0 378.192 2.956 20 0 GFADRO CN(C)C(=O)[C@@H]1CC[C@@H](C[NH2+]Cc2oc3ccccc3c2Br)O1 ZINC000655756044 566087592 /nfs/dbraw/zinc/08/75/92/566087592.db2.gz LXGDBYTZKYRUEP-FZMZJTMJSA-N 1 0 381.270 2.921 20 0 GFADRO Cc1cc(Br)cc(C(=O)N(C)[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)c1 ZINC000680970881 566088847 /nfs/dbraw/zinc/08/88/47/566088847.db2.gz TYLWZMKWMNLUAW-SFHVURJKSA-N 1 0 394.357 2.998 20 0 GFADRO Cc1nn(-c2ccccc2Br)cc1C[NH2+]CC[C@]1(O)CCCOC1 ZINC000655799482 566089934 /nfs/dbraw/zinc/08/99/34/566089934.db2.gz GOFIYMRWXZOPCC-GOSISDBHSA-N 1 0 394.313 2.964 20 0 GFADRO C[C@H](CCc1ccc(Br)cc1)NC(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000655912610 566095373 /nfs/dbraw/zinc/09/53/73/566095373.db2.gz AOFIUCBTQPONEP-BXKDBHETSA-N 1 0 382.224 2.959 20 0 GFADRO [NH3+]C[C@@H](NC(=O)NCc1cc2cc(Br)ccc2[nH]1)C(F)(F)F ZINC000655924745 566096734 /nfs/dbraw/zinc/09/67/34/566096734.db2.gz PVUGKQYIRVRNRR-LLVKDONJSA-N 1 0 379.180 2.619 20 0 GFADRO CC[NH+](CC)CCOCCNC(=O)N1Cc2cccc(Br)c2C1 ZINC000681189064 566097648 /nfs/dbraw/zinc/09/76/48/566097648.db2.gz GGYYLGBZAGCCEH-UHFFFAOYSA-N 1 0 384.318 2.833 20 0 GFADRO Cc1c(Br)cccc1CS(=O)(=O)NCc1ccc(C[NH3+])cc1 ZINC000655954052 566098637 /nfs/dbraw/zinc/09/86/37/566098637.db2.gz WRHYIFYAFQHXKL-UHFFFAOYSA-N 1 0 383.311 2.836 20 0 GFADRO Cc1c(Br)cccc1CS(=O)(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000655952074 566099047 /nfs/dbraw/zinc/09/90/47/566099047.db2.gz HIHOBHWGFNTUAK-OAHLLOKOSA-N 1 0 375.332 2.694 20 0 GFADRO Cc1ccc(CCC(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c(Br)c1 ZINC000681260851 566099983 /nfs/dbraw/zinc/09/99/83/566099983.db2.gz BAOZMYHGDGUGLC-ZWKOTPCHSA-N 1 0 395.341 2.748 20 0 GFADRO CC[C@H](C[NH+]1CCCC1)NS(=O)(=O)c1ccc(Br)cc1F ZINC000681258028 566100287 /nfs/dbraw/zinc/10/02/87/566100287.db2.gz KWYFXVMGJGQWMY-GFCCVEGCSA-N 1 0 379.295 2.741 20 0 GFADRO O=C(CCc1nc2cc(Cl)ccc2s1)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000633481545 566105439 /nfs/dbraw/zinc/10/54/39/566105439.db2.gz QUOHDQNYRVVTPH-CQSZACIVSA-N 1 0 381.929 2.845 20 0 GFADRO C[C@H](C[NH2+]CCC(=O)Nc1cccc(Br)c1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656153648 566106762 /nfs/dbraw/zinc/10/67/62/566106762.db2.gz ZDBDBFSEYUWOLX-KFWWJZLASA-N 1 0 398.345 2.865 20 0 GFADRO C[NH+](C)C1CCN(C(=O)c2cccc(F)c2I)CC1 ZINC000611001822 566109368 /nfs/dbraw/zinc/10/93/68/566109368.db2.gz QNLSXQVYOJNGPF-UHFFFAOYSA-N 1 0 376.213 2.597 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)c2cccc(F)c2I)C[N@@H+]1C1CC1 ZINC000611004279 566110425 /nfs/dbraw/zinc/11/04/25/566110425.db2.gz QMWAIPKKSRXNCU-NXEZZACHSA-N 1 0 388.224 2.785 20 0 GFADRO C[NH+](C)CCn1cc(C(=O)N2CC(Cc3ccccc3Br)C2)cn1 ZINC000633695491 566114330 /nfs/dbraw/zinc/11/43/30/566114330.db2.gz PJKLJIRVPYMWRO-UHFFFAOYSA-N 1 0 391.313 2.522 20 0 GFADRO O[C@@H]1C[C@H]2CN(c3ccc4cc(Br)cc(Cl)c4n3)CC[N@@H+]2C1 ZINC000656219261 566114369 /nfs/dbraw/zinc/11/43/69/566114369.db2.gz RFRJPPLJPHYVIP-QWHCGFSZSA-N 1 0 382.689 2.906 20 0 GFADRO C[NH+](C)CCn1cc(C(=O)N2CCc3cc(F)cc(Br)c3C2)cn1 ZINC000633697569 566114405 /nfs/dbraw/zinc/11/44/05/566114405.db2.gz VQLBDXKOXPUQPS-UHFFFAOYSA-N 1 0 395.276 2.545 20 0 GFADRO Ic1ccc(-c2nc(CN3C[C@@H]4C[NH2+]C[C@H]4C3)co2)cc1 ZINC000611136037 566117378 /nfs/dbraw/zinc/11/73/78/566117378.db2.gz KHSKRVAHVGNTCD-STQMWFEESA-N 1 0 395.244 2.597 20 0 GFADRO Fc1cc2c(cc1Br)[C@@H](NC1CC[NH+]([C@@H]3CCOC3)CC1)CO2 ZINC000656259276 566119488 /nfs/dbraw/zinc/11/94/88/566119488.db2.gz CMMCYEFAKRSRMH-WBMJQRKESA-N 1 0 385.277 2.865 20 0 GFADRO C[C@H]1C[C@H](NC(=O)C(=O)NCCCc2c(Cl)cccc2Cl)CC[N@@H+]1C ZINC000656316631 566123436 /nfs/dbraw/zinc/12/34/36/566123436.db2.gz SISXKKRPVIRPFM-QWHCGFSZSA-N 1 0 386.323 2.641 20 0 GFADRO O=C(Nc1ccc(Br)cc1F)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000681705602 566123513 /nfs/dbraw/zinc/12/35/13/566123513.db2.gz KYWZMEKOAUENBG-ZDUSSCGKSA-N 1 0 386.265 2.963 20 0 GFADRO C[NH+]1CCC(CCNC(=O)c2cnc3ncc(Br)cc3c2)CC1 ZINC000681978181 566136100 /nfs/dbraw/zinc/13/61/00/566136100.db2.gz PNFXFZGGCDBZDD-UHFFFAOYSA-N 1 0 377.286 2.854 20 0 GFADRO CN(C(=O)c1cnc2ncc(Br)cc2c1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000682001745 566137713 /nfs/dbraw/zinc/13/77/13/566137713.db2.gz ICFPQFXGENFFKF-OAHLLOKOSA-N 1 0 375.270 2.701 20 0 GFADRO Fc1cc(Br)cc(OCCN2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC000682083755 566143287 /nfs/dbraw/zinc/14/32/87/566143287.db2.gz VZGPIQNFABSRDD-MRXNPFEDSA-N 1 0 387.293 2.764 20 0 GFADRO CN(CC1([NH+](C)C)CCC1)C(=O)c1cnc2ncc(Br)cc2c1 ZINC000682100134 566144364 /nfs/dbraw/zinc/14/43/64/566144364.db2.gz ATUSMDIZBRUVCL-UHFFFAOYSA-N 1 0 377.286 2.949 20 0 GFADRO O[C@@H](COc1cc(F)cc(Br)c1)C[N@@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000682187304 566146461 /nfs/dbraw/zinc/14/64/61/566146461.db2.gz SCNRUAHEGIPCMW-HZPDHXFCSA-N 1 0 398.276 2.862 20 0 GFADRO CCO[C@@H]1CCC[N@H+](C[C@@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000682187629 566146877 /nfs/dbraw/zinc/14/68/77/566146877.db2.gz XULLCHNSEHZKPL-HUUCEWRRSA-N 1 0 376.266 2.829 20 0 GFADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)Nc1c(C)cc(C)cc1Br ZINC000682272252 566148951 /nfs/dbraw/zinc/14/89/51/566148951.db2.gz JTHCHIDJACVAQZ-AWEZNQCLSA-N 1 0 396.329 2.995 20 0 GFADRO Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH2+]CCC1CS(=O)(=O)C1 ZINC000682474429 566155842 /nfs/dbraw/zinc/15/58/42/566155842.db2.gz HQQFQIPCFQJUEE-UHFFFAOYSA-N 1 0 381.929 2.726 20 0 GFADRO Cc1ccc(Cl)c(OC[C@@H](O)C[NH2+]CC2(S(C)(=O)=O)CCCCC2)c1 ZINC000656712956 566157389 /nfs/dbraw/zinc/15/73/89/566157389.db2.gz DVKSLJLISIARFU-HNNXBMFYSA-N 1 0 389.945 2.725 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)NCCn1ccc(C(F)(F)F)n1)c1cccs1 ZINC000634534408 566158439 /nfs/dbraw/zinc/15/84/39/566158439.db2.gz QSRGWCVRNDWHBJ-LLVKDONJSA-N 1 0 375.420 2.566 20 0 GFADRO C[C@@H](CNC(=O)C(=O)NCc1ccc(Cl)c(Cl)c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000612416864 566161486 /nfs/dbraw/zinc/16/14/86/566161486.db2.gz UTCGZJYGEYSFRT-OLZOCXBDSA-N 1 0 386.323 2.846 20 0 GFADRO CC(C)[C@@H](C[NH2+][C@H](C(N)=O)c1ccc(Br)cc1F)c1ccnn1C ZINC000682614236 566166173 /nfs/dbraw/zinc/16/61/73/566166173.db2.gz UPCWVJRFENPTGC-CJNGLKHVSA-N 1 0 397.292 2.878 20 0 GFADRO C[N@@H+]1CCCN(CCCNC(=O)C2(c3ccccc3Br)CC2)CC1 ZINC000682806749 566170368 /nfs/dbraw/zinc/17/03/68/566170368.db2.gz BMJYVAMSLOSGGL-UHFFFAOYSA-N 1 0 394.357 2.625 20 0 GFADRO C[C@@H]([NH2+]C[C@H](O)CC1(O)CCOCC1)c1ccc(F)c(Br)c1 ZINC000634703851 566171108 /nfs/dbraw/zinc/17/11/08/566171108.db2.gz CBGKKJHKTRXSRJ-DGCLKSJQSA-N 1 0 376.266 2.531 20 0 GFADRO O=S(=O)(NC[C@@H]1CC[N@@H+](C2CC2)C1)c1cc(Cl)cc(Br)c1 ZINC000656872876 566172456 /nfs/dbraw/zinc/17/24/56/566172456.db2.gz BWAFKLYGTOSSMO-JTQLQIEISA-N 1 0 393.734 2.865 20 0 GFADRO C[C@H]([NH2+]C[C@@H](O)CC1(O)CCOCC1)c1ccc(Br)cc1F ZINC000634714234 566172583 /nfs/dbraw/zinc/17/25/83/566172583.db2.gz IGAHWKWUIGVSSG-AAEUAGOBSA-N 1 0 376.266 2.531 20 0 GFADRO O[C@@H](C[NH2+]C[C@@H](n1cncn1)C(F)(F)F)COc1ccc(Cl)c(Cl)c1 ZINC000634725771 566172855 /nfs/dbraw/zinc/17/28/55/566172855.db2.gz CNINGKAIXGTEMK-TVQRCGJNSA-N 1 0 399.200 2.718 20 0 GFADRO COc1ccc(Br)c(CN(C)C(=O)N[C@@H]2CC23CC[NH2+]CC3)c1 ZINC000612986264 566181324 /nfs/dbraw/zinc/18/13/24/566181324.db2.gz PIIAHHWYNLRZRW-OAHLLOKOSA-N 1 0 382.302 2.741 20 0 GFADRO O=C(N[C@H]1CC12CC[NH2+]CC2)N1CCc2cc(Br)cc(F)c2C1 ZINC000612980477 566181429 /nfs/dbraw/zinc/18/14/29/566181429.db2.gz RQQKJSHYDBENGS-HNNXBMFYSA-N 1 0 382.277 2.798 20 0 GFADRO O=C(N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1)N[C@@H]1CC12CC[NH2+]CC2 ZINC000612986237 566181532 /nfs/dbraw/zinc/18/15/32/566181532.db2.gz PDJLAZSAFOJVJG-NILFDRSVSA-N 1 0 382.277 2.885 20 0 GFADRO CC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)Cc2cc(F)ccc2Br)C1 ZINC000656923841 566184143 /nfs/dbraw/zinc/18/41/43/566184143.db2.gz ZTKDMNNSZWOWFA-LBPRGKRZSA-N 1 0 393.322 2.692 20 0 GFADRO C[C@H](NS(=O)(=O)Cc1cc(F)ccc1Br)C(C)(C)C[NH+](C)C ZINC000656928131 566185656 /nfs/dbraw/zinc/18/56/56/566185656.db2.gz AAFUCPBTWQMAEQ-NSHDSACASA-N 1 0 395.338 2.984 20 0 GFADRO CN(C)[C@H](C[NH2+][C@H]1CCCS(=O)(=O)CC1)c1cccc(C(F)(F)F)c1 ZINC000634975520 566185684 /nfs/dbraw/zinc/18/56/84/566185684.db2.gz AKLNAESZPIZRHY-JKSUJKDBSA-N 1 0 378.460 2.865 20 0 GFADRO O=C1CC[C@@H]([NH2+][C@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)CCN1 ZINC000634967925 566186263 /nfs/dbraw/zinc/18/62/63/566186263.db2.gz ALJZZTPVCOIBFN-NEPJUHHUSA-N 1 0 376.810 2.591 20 0 GFADRO O=S1(=O)CCC[C@H]([NH2+][C@H]2CCN(c3cccc(Br)c3)C2)CC1 ZINC000634978685 566187044 /nfs/dbraw/zinc/18/70/44/566187044.db2.gz JMBUNFLIPDOBBR-GJZGRUSLSA-N 1 0 387.343 2.585 20 0 GFADRO CN(C)C[C@@H]([NH2+][C@@H]1CCCS(=O)(=O)CC1)c1cccc(C(F)(F)F)c1 ZINC000634988465 566188469 /nfs/dbraw/zinc/18/84/69/566188469.db2.gz XVQJRJHWWDOFJD-HZPDHXFCSA-N 1 0 378.460 2.865 20 0 GFADRO O=C(Nc1cscc1Cl)C(=O)Nc1cccc(C[N@H+]2CC[C@@H](O)C2)c1 ZINC000635169938 566197576 /nfs/dbraw/zinc/19/75/76/566197576.db2.gz ACXLLOMDLNRHBH-CYBMUJFWSA-N 1 0 379.869 2.545 20 0 GFADRO O=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)N[C@@H](CO)c1ccc(Br)cc1 ZINC000683391856 566197936 /nfs/dbraw/zinc/19/79/36/566197936.db2.gz REEZWYQZFIKQHP-IRXDYDNUSA-N 1 0 396.329 2.799 20 0 GFADRO Cc1ccc(C[NH2+][C@@H](C)c2ccc(S(C)(=O)=O)cc2)cc1S(C)(=O)=O ZINC000683447634 566201044 /nfs/dbraw/zinc/20/10/44/566201044.db2.gz IZJLXEOPZAEBAI-AWEZNQCLSA-N 1 0 381.519 2.653 20 0 GFADRO C[NH+](C)CC1(C(=O)NC2(c3ccc(Br)cc3)CCOCC2)CC1 ZINC000635407614 566211204 /nfs/dbraw/zinc/21/12/04/566211204.db2.gz BOMJRUHOYKFKHA-UHFFFAOYSA-N 1 0 381.314 2.913 20 0 GFADRO C[C@H]([NH2+]Cc1c(Br)cnn1C)[C@@H](c1ccccc1)N1CCOCC1 ZINC000683763891 566213469 /nfs/dbraw/zinc/21/34/69/566213469.db2.gz HZYAMFDUKRPJDF-KSSFIOAISA-N 1 0 393.329 2.734 20 0 GFADRO COc1cc(OC)c(S(=O)(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)cc1Cl ZINC000657062180 566216308 /nfs/dbraw/zinc/21/63/08/566216308.db2.gz QMLVCAUQRORCET-LLVKDONJSA-N 1 0 376.906 2.508 20 0 GFADRO COC1CC[NH+](CCNC(=O)N[C@H](C)c2nc(C(F)(F)F)cs2)CC1 ZINC000683858908 566216384 /nfs/dbraw/zinc/21/63/84/566216384.db2.gz ZBJRERMQXDJLCY-SNVBAGLBSA-N 1 0 380.436 2.633 20 0 GFADRO C[NH+](C)C[C@@]1(O)CCCN(C(=O)c2cccc(Br)c2Cl)C1 ZINC000683911944 566218686 /nfs/dbraw/zinc/21/86/86/566218686.db2.gz QHZDFYKKOYDXRB-HNNXBMFYSA-N 1 0 375.694 2.631 20 0 GFADRO C[NH+](C)C[C@]1(O)CCCN(C(=O)Cc2csc(-c3ccc(Cl)s3)n2)C1 ZINC000683912785 566218932 /nfs/dbraw/zinc/21/89/32/566218932.db2.gz JKKCDMNALUFCNT-QGZVFWFLSA-N 1 0 399.969 2.983 20 0 GFADRO C[NH+](C)C[C@]1(O)CCCN(C(=O)c2cc(Br)ccc2Cl)C1 ZINC000683913802 566218992 /nfs/dbraw/zinc/21/89/92/566218992.db2.gz QRYWIIWJZLEYKJ-OAHLLOKOSA-N 1 0 375.694 2.631 20 0 GFADRO CN(C(=O)C12CCC[NH+](CCC1)C2)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000635725973 566224204 /nfs/dbraw/zinc/22/42/04/566224204.db2.gz PFOURUVYLZGKFI-OAHLLOKOSA-N 1 0 382.913 2.503 20 0 GFADRO O=C1[C@H]([NH2+]C[C@@H]2CNc3ccnn3C2)CCN1c1ccc(Cl)c(Cl)c1 ZINC000684199556 566229950 /nfs/dbraw/zinc/22/99/50/566229950.db2.gz DYULTEGUYHKIEU-IAQYHMDHSA-N 1 0 380.279 2.627 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)N2CCOc3c(Br)cccc3C2)CC[N@@H+]1C ZINC000684269174 566232119 /nfs/dbraw/zinc/23/21/19/566232119.db2.gz ZJWUANAJKWUIQE-TZMCWYRMSA-N 1 0 382.302 2.836 20 0 GFADRO OC[C@H](C[NH2+][C@H](c1ccc(Br)cc1)[C@H]1CCCO1)[C@@H]1CCOC1 ZINC000684611257 566240046 /nfs/dbraw/zinc/24/00/46/566240046.db2.gz AAJRSXNZNBPDFN-CYGHRXIMSA-N 1 0 384.314 2.904 20 0 GFADRO Cc1cc(N2C[C@H]3CCC[N@H+]3C[C@H]2C)n2c3ccccc3nc2c1-c1nn[nH]n1 ZINC000737270082 598832250 /nfs/dbraw/zinc/83/22/50/598832250.db2.gz IPRDMTZIOPVJDY-HUUCEWRRSA-N 1 0 388.479 2.649 20 0 GFADRO C[C@@]1(c2ccccc2)CCC[N@H+](CC(=O)Nc2cccc(-c3nn[nH]n3)c2)C1 ZINC000736229569 598833172 /nfs/dbraw/zinc/83/31/72/598833172.db2.gz NJYVHJIMGFVQBU-OAQYLSRUSA-N 1 0 376.464 2.859 20 0 GFADRO CC[N@H+](CCc1ccccc1)Cn1c(C)nnc1-c1cccc(-c2nn[nH]n2)c1 ZINC000736542897 598850659 /nfs/dbraw/zinc/85/06/59/598850659.db2.gz WIHWOQUJSRXTKD-UHFFFAOYSA-N 1 0 388.479 2.956 20 0 GFADRO C[N@H+](CCOc1ccccc1-c1nn[nH]n1)C1CCN(Cc2ccccc2)CC1 ZINC000736804404 598898550 /nfs/dbraw/zinc/89/85/50/598898550.db2.gz NBURETOBZUPXGQ-UHFFFAOYSA-N 1 0 392.507 2.842 20 0 GFADRO C[C@@H](CC1CCCC1)C(=O)N(CC[NH+](C)C)Cc1cccc(-c2nn[nH]n2)c1 ZINC000735984588 598905956 /nfs/dbraw/zinc/90/59/56/598905956.db2.gz FKESCVKVFJFNIE-INIZCTEOSA-N 1 0 384.528 2.973 20 0 GFADRO CCOc1cccc([C@@H](C)[NH2+][C@@H]2CCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)c1 ZINC000736654576 598960803 /nfs/dbraw/zinc/96/08/03/598960803.db2.gz KOKZEVDEHWDLMR-AUUYWEPGSA-N 1 0 392.463 2.722 20 0 GFADRO Cc1cc(C)cc([C@H](C)[NH2+][C@@H]2CCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)c1 ZINC000737252520 598961180 /nfs/dbraw/zinc/96/11/80/598961180.db2.gz IIZPCXBFOBTRJI-HNAYVOBHSA-N 1 0 376.464 2.940 20 0 GFADRO COc1ccc([C@@H](C)[N@H+](C)CCOc2ccc(-c3nn[nH]n3)cc2OC)cc1 ZINC000737074189 598981477 /nfs/dbraw/zinc/98/14/77/598981477.db2.gz VYTNRLZSRWMCJE-CQSZACIVSA-N 1 0 383.452 2.956 20 0 GFADRO CCO[C@@H]1C[C@H]([N@H+](C)CCC(=O)Nc2ccccc2-c2nn[nH]n2)C12CCCC2 ZINC000736608754 598994511 /nfs/dbraw/zinc/99/45/11/598994511.db2.gz DDXCMFIKPPARBT-ZWKOTPCHSA-N 1 0 398.511 2.865 20 0 GFADRO COc1cccc([C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)N2CCCC2)c1 ZINC000737126686 599014198 /nfs/dbraw/zinc/01/41/98/599014198.db2.gz OSISMDWUAPYDFN-FQEVSTJZSA-N 1 0 378.480 2.802 20 0 GFADRO CC[C@H]1CCC[C@@H](NC(=O)N(CC[NH+](C)C)Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000736397633 599023959 /nfs/dbraw/zinc/02/39/59/599023959.db2.gz WDYQZKQXUYYCTR-QFBILLFUSA-N 1 0 399.543 2.909 20 0 GFADRO CC1CCC([NH+]2CCN(c3nc(C(F)(F)F)ccc3-c3nn[nH]n3)CC2)CC1 ZINC000736243535 599062287 /nfs/dbraw/zinc/06/22/87/599062287.db2.gz WBHQMMXJQJFIEP-UHFFFAOYSA-N 1 0 395.433 2.981 20 0 GFADRO Fc1ccc(OC2CC[NH+](CCOc3ccc(-c4nn[nH]n4)cc3)CC2)cc1 ZINC000737656031 599081397 /nfs/dbraw/zinc/08/13/97/599081397.db2.gz GKYOOSPBHLRCOJ-UHFFFAOYSA-N 1 0 383.427 2.928 20 0 GFADRO NC(=O)[C@H](Nc1ccc([NH+]2CCCCCC2)cc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000737736879 599098887 /nfs/dbraw/zinc/09/88/87/599098887.db2.gz LZULILYNAXHPJS-LJQANCHMSA-N 1 0 391.479 2.886 20 0 GFADRO c1ccc(OCCCC[NH+]2CCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)cc1 ZINC000738436618 599131934 /nfs/dbraw/zinc/13/19/34/599131934.db2.gz UBPAVNCSPOQZSG-UHFFFAOYSA-N 1 0 392.507 2.844 20 0 GFADRO C[C@@H](CCSc1ccccc1)[NH+]1CCN(c2cc(-c3nn[nH]n3)ccn2)CC1 ZINC000820248824 607264147 /nfs/dbraw/zinc/26/41/47/607264147.db2.gz ODRPVKHGETWCAG-INIZCTEOSA-N 1 0 395.536 2.955 20 0 GFADRO Cc1cc(C)c2ncc(-c3nn[nH]n3)c(N3CCN(c4cc[nH+]cc4)CC3)c2c1 ZINC000737248531 599259659 /nfs/dbraw/zinc/25/96/59/599259659.db2.gz ICEACCUNCZUOPT-UHFFFAOYSA-N 1 0 386.463 2.753 20 0 GFADRO CC(C)C(NC(=O)N(CC[NH+](C)C)Cc1ccc(-c2nn[nH]n2)cc1)C(C)C ZINC000820026410 607299593 /nfs/dbraw/zinc/29/95/93/607299593.db2.gz JUJSENXUUUDLOI-UHFFFAOYSA-N 1 0 387.532 2.621 20 0 GFADRO Cc1cccc2c1ncc(-c1nn[nH]n1)c2NC[C@@H](c1ccsc1)[NH+](C)C ZINC000737407545 599268335 /nfs/dbraw/zinc/26/83/35/599268335.db2.gz CNIMFLGQANPTSS-INIZCTEOSA-N 1 0 379.493 2.922 20 0 GFADRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(CCC(=O)Nc2cccc(-c3nn[nH]n3)c2)C1 ZINC000736236738 599268527 /nfs/dbraw/zinc/26/85/27/599268527.db2.gz MITWYJJKKWNEQI-GPMSIDNRSA-N 1 0 397.527 2.533 20 0 GFADRO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)Nc1cc(-c2nn[nH]n2)ccc1OC ZINC000736456641 599280474 /nfs/dbraw/zinc/28/04/74/599280474.db2.gz GDQYFMDQZRPBJX-HNNXBMFYSA-N 1 0 387.488 2.651 20 0 GFADRO C[NH+]1CCC(CCNC(=O)Nc2ccc(-c3nn[nH]n3)c(C(F)(F)F)c2)CC1 ZINC000821622343 599286652 /nfs/dbraw/zinc/28/66/52/599286652.db2.gz ZSPSPBVXBPERSC-UHFFFAOYSA-N 1 0 397.405 2.739 20 0 GFADRO CC(C)c1cnc(CN(C)[C@@H]2CC[N@H+](Cc3ccc(F)cc3-c3nn[nH]n3)C2)o1 ZINC000735932489 599291875 /nfs/dbraw/zinc/29/18/75/599291875.db2.gz MRRZJWPBIDTTNN-MRXNPFEDSA-N 1 0 399.474 2.824 20 0 GFADRO Cc1ccc([C@@H](CNC(=O)CCc2ccc(-c3nn[nH]n3)cc2)[NH+]2CCCC2)o1 ZINC000737322644 598234095 /nfs/dbraw/zinc/23/40/95/598234095.db2.gz ZXYRDJGFCIXGLA-GOSISDBHSA-N 1 0 394.479 2.654 20 0 GFADRO CN(C[C@@H]1CC[N@H+](C)C1)C(=O)c1cccc(Oc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000736848194 598239683 /nfs/dbraw/zinc/23/96/83/598239683.db2.gz KHOSBHVBOAJKQA-OAHLLOKOSA-N 1 0 392.463 2.683 20 0 GFADRO Cc1ccccc1OCCC[NH+]1CCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000737431325 598251926 /nfs/dbraw/zinc/25/19/26/598251926.db2.gz HPXIAFBUCZPHFU-UHFFFAOYSA-N 1 0 378.480 2.766 20 0 GFADRO FC(F)Oc1ccc(C[NH+]2CCN(c3ccccc3-c3nn[nH]n3)CC2)cc1 ZINC000737640055 598251942 /nfs/dbraw/zinc/25/19/42/598251942.db2.gz YSROGFXVYHRHRO-UHFFFAOYSA-N 1 0 386.406 2.790 20 0 GFADRO C[N@H+](CCCOc1ccc(-c2nn[nH]n2)cc1)C[C@@H]1OCCc2ccccc21 ZINC000736798087 598257808 /nfs/dbraw/zinc/25/78/08/598257808.db2.gz OJQXLWTXHLBWHT-FQEVSTJZSA-N 1 0 379.464 2.881 20 0 GFADRO CCC(CC)[C@@H](CNC(=O)Nc1cc(-c2nn[nH]n2)cn1C(C)(C)C)[NH+](C)C ZINC000736337251 598278221 /nfs/dbraw/zinc/27/82/21/598278221.db2.gz JEADFITZEYBHAD-OAHLLOKOSA-N 1 0 390.536 2.911 20 0 GFADRO CN(C(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc(-c2nn[nH]n2)cc1F ZINC000736733478 598278993 /nfs/dbraw/zinc/27/89/93/598278993.db2.gz VVDDBBKYVYWVFW-QGZVFWFLSA-N 1 0 394.454 2.881 20 0 GFADRO O=C(CC[N@@H+]1CCCO[C@H](c2ccccc2)C1)Nc1cccc(-c2nn[nH]n2)c1 ZINC000737844434 598312011 /nfs/dbraw/zinc/31/20/11/598312011.db2.gz UIGDJAZOZCLSSE-IBGZPJMESA-N 1 0 392.463 2.659 20 0 GFADRO C[C@@H](CNC(=S)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)C[NH+]1CCCCC1 ZINC000736025756 598322226 /nfs/dbraw/zinc/32/22/26/598322226.db2.gz MRPGCTQBEJVHRI-LBPRGKRZSA-N 1 0 393.948 2.929 20 0 GFADRO CCOCCN1CC[NH+](Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)CC1 ZINC000736618156 598366605 /nfs/dbraw/zinc/36/66/05/598366605.db2.gz HYKUBOZJPOBMAO-UHFFFAOYSA-N 1 0 392.507 2.688 20 0 GFADRO O[C@H](c1ccccc1)[C@H]1CCCC[N@@H+]1CCOc1cccc(-c2nn[nH]n2)c1 ZINC000738383256 598396434 /nfs/dbraw/zinc/39/64/34/598396434.db2.gz ABELIIDAVXGARV-WOJBJXKFSA-N 1 0 379.464 2.834 20 0 GFADRO Cc1ccccc1C1CC[NH+](CC(=O)NCc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000737424114 598405940 /nfs/dbraw/zinc/40/59/40/598405940.db2.gz RTESSSYBDDCZFC-UHFFFAOYSA-N 1 0 390.491 2.671 20 0 GFADRO O=C(CC[N@H+]1CC[C@H](c2ccccc2F)C1)Nc1cccc(-c2nn[nH]n2)c1 ZINC000737840001 598418094 /nfs/dbraw/zinc/41/80/94/598418094.db2.gz YHQLELIGYNUPIA-HNNXBMFYSA-N 1 0 380.427 2.824 20 0 GFADRO CCC[NH+]1CCC(N(C)C(=O)Nc2cc(-c3nn[nH]n3)cn2C(C)(C)C)CC1 ZINC000736481116 598423157 /nfs/dbraw/zinc/42/31/57/598423157.db2.gz USGSEKWVIDWMCR-UHFFFAOYSA-N 1 0 388.520 2.761 20 0 GFADRO CC(C)C[C@@H](C[NH+](C)C)NC(=O)N(Cc1ccc(-c2nn[nH]n2)cc1)C(C)C ZINC000735761132 598427276 /nfs/dbraw/zinc/42/72/76/598427276.db2.gz LCYFCEDZYWQEIS-SFHVURJKSA-N 1 0 387.532 2.763 20 0 GFADRO CC1CC[NH+]([C@H](CNC(=O)c2ccc(-c3nn[nH]n3)cn2)c2cccs2)CC1 ZINC000736279598 598438022 /nfs/dbraw/zinc/43/80/22/598438022.db2.gz ZCYVMWQLBOTYEC-MRXNPFEDSA-N 1 0 397.508 2.526 20 0 GFADRO CCN(C(=O)c1ccc(-c2nn[nH]n2)cn1)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000736505487 598460361 /nfs/dbraw/zinc/46/03/61/598460361.db2.gz KBSCUZXPVMYDBH-MAUKXSAKSA-N 1 0 391.479 2.559 20 0 GFADRO Cc1cc2c(o1)CC(C)(C)C[C@@H]2[NH2+]Cc1cnc2c(-c3nn[nH]n3)cnn2c1 ZINC000737285238 598493611 /nfs/dbraw/zinc/49/36/11/598493611.db2.gz PRHFQOPCUKAQTB-HNNXBMFYSA-N 1 0 378.440 2.614 20 0 GFADRO CCSc1ccc([C@@H](C)[NH2+]C[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)cc1 ZINC000736667517 598529397 /nfs/dbraw/zinc/52/93/97/598529397.db2.gz SFEUCIGRVLIHEL-OLZOCXBDSA-N 1 0 384.513 2.568 20 0 GFADRO C[C@@H]([NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1csc2ccccc12 ZINC000736135924 598530184 /nfs/dbraw/zinc/53/01/84/598530184.db2.gz QQXKFKNZNRFARN-VXGBXAGGSA-N 1 0 380.481 2.670 20 0 GFADRO CC(C)c1ccc(C(C)(C)[NH2+]C[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)cc1 ZINC000735923454 598530309 /nfs/dbraw/zinc/53/03/09/598530309.db2.gz UIYFRQRKUBCHKU-CQSZACIVSA-N 1 0 380.500 2.753 20 0 GFADRO CC[NH+](CC)[C@H](CNC(=O)[C@H](C)Oc1ccccc1-c1nn[nH]n1)CC(C)C ZINC000736532310 598557400 /nfs/dbraw/zinc/55/74/00/598557400.db2.gz ANTQUAQYNKTGQJ-HOTGVXAUSA-N 1 0 388.516 2.507 20 0 GFADRO C[C@@H](Cn1cccn1)[NH2+]Cc1cccc(OCc2ccccc2-c2nn[nH]n2)c1 ZINC000736080897 598561239 /nfs/dbraw/zinc/56/12/39/598561239.db2.gz QNBVUXMSUUMBGB-INIZCTEOSA-N 1 0 389.463 2.821 20 0 GFADRO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)Nc1ccc(F)c(-c2nn[nH]n2)c1 ZINC000738037998 598624897 /nfs/dbraw/zinc/62/48/97/598624897.db2.gz IJERXIUPGOZFRE-HNNXBMFYSA-N 1 0 385.403 2.557 20 0 GFADRO CC(C)[N@H+](C)CC1CCN(C(=O)Nc2ccc(F)c(-c3nn[nH]n3)c2)CC1 ZINC000735857008 598628984 /nfs/dbraw/zinc/62/89/84/598628984.db2.gz OOYZPYLRNSSXRK-UHFFFAOYSA-N 1 0 375.452 2.590 20 0 GFADRO C[NH+](C)CCN(Cc1ccccc1)C(=O)Nc1ccc(F)c(-c2nn[nH]n2)c1 ZINC000736768656 598632350 /nfs/dbraw/zinc/63/23/50/598632350.db2.gz HGOMJMHDCGVTLT-UHFFFAOYSA-N 1 0 383.431 2.602 20 0 GFADRO C[C@H](CNC(=O)c1cccc(Oc2ccc(-c3nn[nH]n3)cc2)c1)[N@H+](C)C1CC1 ZINC000736025710 598668173 /nfs/dbraw/zinc/66/81/73/598668173.db2.gz JELFHQATYMLBQF-CQSZACIVSA-N 1 0 392.463 2.872 20 0 GFADRO Cc1cc[nH+]c(NC[C@@H]2CCN(c3snc(Cl)c3-c3nn[nH]n3)C2)c1 ZINC000737437275 598672084 /nfs/dbraw/zinc/67/20/84/598672084.db2.gz NNKGHEAXJNMIPH-JTQLQIEISA-N 1 0 376.877 2.618 20 0 GFADRO CC(C)[N@H+](C)CCCNC(=O)c1ccc(Oc2ccc(-c3nn[nH]n3)cn2)cc1 ZINC000735857235 598682953 /nfs/dbraw/zinc/68/29/53/598682953.db2.gz PUDKKTMPGOPUOO-UHFFFAOYSA-N 1 0 395.467 2.514 20 0 GFADRO C[C@@H](NC(=O)NC[C@H](C)[N@H+](C)Cc1ccccc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000736118928 598715403 /nfs/dbraw/zinc/71/54/03/598715403.db2.gz PZCSSHPKDMLZJG-JKSUJKDBSA-N 1 0 393.495 2.747 20 0 GFADRO CCCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)NCCC1CC[NH+](C)CC1 ZINC000736482192 598727328 /nfs/dbraw/zinc/72/73/28/598727328.db2.gz XKYHLVHYROLUCK-UHFFFAOYSA-N 1 0 385.516 2.520 20 0 GFADRO C[NH+](C)CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)c1cccc2c1CCC2 ZINC000736766528 598805208 /nfs/dbraw/zinc/80/52/08/598805208.db2.gz AIOFNZFVRNWLTB-UHFFFAOYSA-N 1 0 390.491 2.559 20 0 GFADRO Cc1ccc(F)cc1C(=O)N(CC[NH+](C)C)Cc1cccc(-c2nn[nH]n2)c1 ZINC000737345651 598805892 /nfs/dbraw/zinc/80/58/92/598805892.db2.gz UNYJTJUNHBJJKJ-UHFFFAOYSA-N 1 0 382.443 2.518 20 0 GFADRO O=C(CC[N@@H+](Cc1cccc(O)c1)CC1CC1)Nc1ccccc1-c1nn[nH]n1 ZINC000737839393 598819518 /nfs/dbraw/zinc/81/95/18/598819518.db2.gz RFDMTVBSOMRXBV-UHFFFAOYSA-N 1 0 392.463 2.813 20 0 GFADRO C[C@H](c1ccc(-c2nn[nH]n2)cc1)[N@@H+]1CCCN(C(=O)c2ccccc2)CC1 ZINC000736195938 599309284 /nfs/dbraw/zinc/30/92/84/599309284.db2.gz HOEMDEKMNMORDM-MRXNPFEDSA-N 1 0 376.464 2.776 20 0 GFADRO Cc1occc1C(=O)NC1CC[NH+]([C@@H](C)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000737555834 599314860 /nfs/dbraw/zinc/31/48/60/599314860.db2.gz ABMFLMFVLFPPPV-ZDUSSCGKSA-N 1 0 380.452 2.724 20 0 GFADRO C[C@H](c1ccc(-c2nn[nH]n2)cc1)[N@H+](C)C[C@@H](c1cccs1)N1CCOCC1 ZINC000736195981 599316278 /nfs/dbraw/zinc/31/62/78/599316278.db2.gz IJUHFTLGSPTYAV-QAPCUYQASA-N 1 0 398.536 2.995 20 0 GFADRO CC(C)Oc1ccc(-c2nn[nH]n2)cc1NC(=O)N[C@@H](C)C1CC[NH+](C)CC1 ZINC000735904696 599351592 /nfs/dbraw/zinc/35/15/92/599351592.db2.gz AACOINMQIDKNGG-ZDUSSCGKSA-N 1 0 387.488 2.506 20 0 GFADRO C[C@H]([NH2+][C@@H]1CC(=O)N([C@@H]2C[C@H]2c2ccccc2)C1)c1ccc(-c2nn[nH]n2)cc1 ZINC000820412719 599386822 /nfs/dbraw/zinc/38/68/22/599386822.db2.gz MPOWZNJYLPAISP-WEFJBSGNSA-N 1 0 388.475 2.674 20 0 GFADRO COc1ccc(C[NH2+]C[C@H](c2ccccc2)N2CCCC2)cc1-c1nn[nH]n1 ZINC000821808490 599392505 /nfs/dbraw/zinc/39/25/05/599392505.db2.gz HDFNZUWVOLQGCE-LJQANCHMSA-N 1 0 378.480 2.802 20 0 GFADRO COc1ccc(C[NH2+][C@@H](C)c2cccc(N3CCOC3=O)c2)cc1-c1nn[nH]n1 ZINC000821804845 599416249 /nfs/dbraw/zinc/41/62/49/599416249.db2.gz PVYTYILCTJIQFH-ZDUSSCGKSA-N 1 0 394.435 2.683 20 0 GFADRO COc1ccc(C[NH2+]C[C@H](c2c(F)cccc2F)N(C)C)cc1-c1nn[nH]n1 ZINC000821808169 599439809 /nfs/dbraw/zinc/43/98/09/599439809.db2.gz BDQITQXDDQYVOD-MRXNPFEDSA-N 1 0 388.422 2.546 20 0 GFADRO C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@@H+]1C[C@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000736235304 599477152 /nfs/dbraw/zinc/47/71/52/599477152.db2.gz MZUOFPFQYYSNBQ-LJHODMEESA-N 1 0 397.454 2.624 20 0 GFADRO C[C@H](CNc1c(-c2nn[nH]n2)cnc2c(F)ccc(F)c21)[N@@H+]1CCC[C@H](C)C1 ZINC000820711216 599477790 /nfs/dbraw/zinc/47/77/90/599477790.db2.gz VKJUUPPJEPDSGZ-NWDGAFQWSA-N 1 0 387.438 2.647 20 0 GFADRO CCC(CC)[C@H](CNCc1cnc2ccc(-c3nn[nH]n3)cn12)[NH+]1CCCC1 ZINC000736338007 599484276 /nfs/dbraw/zinc/48/42/76/599484276.db2.gz OASAJFRHNFCJSS-SFHVURJKSA-N 1 0 382.516 2.505 20 0 GFADRO C[C@H]1CN(c2cc(Cl)ccc2-c2nn[nH]n2)CC[N@@H+]1C[C@H](O)c1ccccc1 ZINC000820769793 599531220 /nfs/dbraw/zinc/53/12/20/599531220.db2.gz WQLMMTQUUMHJMY-LIRRHRJNSA-N 1 0 398.898 2.764 20 0 GFADRO CC[C@H]1CN(c2c(-c3nn[nH]n3)cnc3c(C)cc(C)cc32)CC[N@@H+]1CCOC ZINC000820995649 599533811 /nfs/dbraw/zinc/53/38/11/599533811.db2.gz VKWLSYVBFOWIJE-INIZCTEOSA-N 1 0 395.511 2.579 20 0 GFADRO Cc1ccc(NC(=O)N(CC[NH+](C)C)Cc2cccc(-c3nn[nH]n3)c2)s1 ZINC000822248732 599551765 /nfs/dbraw/zinc/55/17/65/599551765.db2.gz LMMUCVAENKDERJ-UHFFFAOYSA-N 1 0 385.497 2.832 20 0 GFADRO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1cc(-c2nn[nH]n2)cn1C(C)(C)C ZINC000820995735 599554565 /nfs/dbraw/zinc/55/45/65/599554565.db2.gz WRSJQNNJYKCSPL-CABCVRRESA-N 1 0 386.504 2.514 20 0 GFADRO Cc1ccc([C@H](O)C[NH+]2CCC(Oc3ccc(-c4nn[nH]n4)cc3)CC2)cc1 ZINC000822230678 599572483 /nfs/dbraw/zinc/57/24/83/599572483.db2.gz NJCDTGGTLGMVCO-HXUWFJFHSA-N 1 0 379.464 2.752 20 0 GFADRO c1ccc(C[C@@H]2CC[N@@H+](Cc3nnc(-c4ccc(-c5nn[nH]n5)cc4)o3)C2)cc1 ZINC000823779459 599578840 /nfs/dbraw/zinc/57/88/40/599578840.db2.gz DNVDKASVWRDJJO-INIZCTEOSA-N 1 0 387.447 2.981 20 0 GFADRO CC[N@H+](CCOc1ccc(-c2nn[nH]n2)cc1OC)C[C@@H](O)c1ccc(C)cc1 ZINC000821214760 599590735 /nfs/dbraw/zinc/59/07/35/599590735.db2.gz LDJRXFKBKMJFJI-GOSISDBHSA-N 1 0 397.479 2.618 20 0 GFADRO CN(Cc1ccc(-c2nn[nH]n2)cc1F)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000821609760 599592351 /nfs/dbraw/zinc/59/23/51/599592351.db2.gz KVUJOCHGJIAZAD-KRWDZBQOSA-N 1 0 380.471 2.960 20 0 GFADRO COCC[N@H+](CCC(=O)Nc1ccccc1C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000821689025 599636566 /nfs/dbraw/zinc/63/65/66/599636566.db2.gz IEUQCTMIBNMKBV-UHFFFAOYSA-N 1 0 394.479 2.652 20 0 GFADRO COc1ccc(C[NH2+][C@H](C)[C@@H](O)c2c(F)cccc2Cl)cc1-c1nn[nH]n1 ZINC000821798868 599646878 /nfs/dbraw/zinc/64/68/78/599646878.db2.gz RACUEQDFSNPJPJ-BMLIUANNSA-N 1 0 391.834 2.880 20 0 GFADRO CC[NH+](CC)CC1CCN(C(=O)N[C@@H](C)c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000821181162 599681547 /nfs/dbraw/zinc/68/15/47/599681547.db2.gz KHAOKGOKERIWHC-HNNXBMFYSA-N 1 0 385.516 2.691 20 0 GFADRO O=C(C[NH2+]C1(C(=O)[O-])CCCCC1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000739308315 600150883 /nfs/dbraw/zinc/15/08/83/600150883.db2.gz HYNIWPSQEMDWAT-UHFFFAOYSA-N 1 0 391.537 2.551 20 0 GFADRO CC(C)[NH2+][C@@H]1CCCN(C(=O)Nc2ccc(OC(C)C)c(-c3nn[nH]n3)c2)C1 ZINC000820138258 607425632 /nfs/dbraw/zinc/42/56/32/607425632.db2.gz SMOIGQWRLLOBGP-OAHLLOKOSA-N 1 0 387.488 2.648 20 0 GFADRO C[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)C[C@@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC000821609986 607461621 /nfs/dbraw/zinc/46/16/21/607461621.db2.gz UVBMRKXGTDWDPB-KRWDZBQOSA-N 1 0 391.397 2.921 20 0 GFADRO C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@@H+]1Cc1cc(F)ccc1-c1nn[nH]n1 ZINC000824894571 607474596 /nfs/dbraw/zinc/47/45/96/607474596.db2.gz YVWUOJYEQYETBV-SWLSCSKDSA-N 1 0 390.463 2.883 20 0 GFADRO C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@@H+]1Cc1cc(-c2nn[nH]n2)ccc1F ZINC000824893937 607474900 /nfs/dbraw/zinc/47/49/00/607474900.db2.gz VVPOOPOANQPXGW-SWLSCSKDSA-N 1 0 390.463 2.883 20 0 GFADRO c1cc(-c2nn[nH]n2)ccc1OCCC[N@@H+]1CC[C@H]2[C@@H](CCCN2C2CC2)C1 ZINC000826514046 607478460 /nfs/dbraw/zinc/47/84/60/607478460.db2.gz FQKYQMYPQOQKDG-PXNSSMCTSA-N 1 0 382.512 2.584 20 0 GFADRO COc1ccc(C[N@H+](C)[C@H](C)c2ccc([S@@](C)=O)cc2)cc1-c1nn[nH]n1 ZINC000826192201 607510493 /nfs/dbraw/zinc/51/04/93/607510493.db2.gz DFGSRBJKBGTFPL-PFUSGODGSA-N 1 0 385.493 2.806 20 0 GFADRO CCN1C[C@@H](C[N@H+](C)Cc2cc(-c3nn[nH]n3)ccc2OC)Oc2ccccc21 ZINC000825452449 607512835 /nfs/dbraw/zinc/51/28/35/607512835.db2.gz OPJHPAQMLIPXOA-QGZVFWFLSA-N 1 0 394.479 2.595 20 0 GFADRO c1ccc(C[N@H+]2CCC[C@@H]3CN(Cc4ccnc(-c5nn[nH]n5)c4)CC[C@H]32)cc1 ZINC000826521295 607515933 /nfs/dbraw/zinc/51/59/33/607515933.db2.gz HDGHBRAYFGDIJP-TZIWHRDSSA-N 1 0 389.507 2.748 20 0 GFADRO c1cc(C[N@@H+]2CCC[C@@H](c3nc4c(s3)CCCC4)C2)cc(-c2nn[nH]n2)n1 ZINC000826516005 607518655 /nfs/dbraw/zinc/51/86/55/607518655.db2.gz UDAACDDZRFHPCE-CQSZACIVSA-N 1 0 381.509 2.977 20 0 GFADRO CN(c1ccccc1C[NH2+]Cc1cccc(OCC(=O)[O-])c1)C1CC[NH+](C)CC1 ZINC000830923978 601972596 /nfs/dbraw/zinc/97/25/96/601972596.db2.gz XLDYYLOXXSVEDM-UHFFFAOYSA-N 1 0 397.519 2.970 20 0 GFADRO CC[N@H+](CC(=O)Nc1ccc(Oc2ncccc2-c2nn[nH]n2)cc1C)C1CC1 ZINC000825394435 607570178 /nfs/dbraw/zinc/57/01/78/607570178.db2.gz CQTYQPFXSDDSHU-UHFFFAOYSA-N 1 0 393.451 2.785 20 0 GFADRO Cc1cc(-c2nn[nH]n2)ccc1C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000826247451 607651257 /nfs/dbraw/zinc/65/12/57/607651257.db2.gz DHNOBIDALDKHDR-INIZCTEOSA-N 1 0 382.493 2.804 20 0 GFADRO Cc1cc(-c2nn[nH]n2)ccc1C(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000826248294 607673833 /nfs/dbraw/zinc/67/38/33/607673833.db2.gz CFVFCSPBRNSHKF-LJQANCHMSA-N 1 0 390.491 2.960 20 0 GFADRO C[C@H](c1ccncc1)[NH+]1CCC(Nc2ncc(-c3nn[nH]n3)cc2Cl)CC1 ZINC000824778950 607679844 /nfs/dbraw/zinc/67/98/44/607679844.db2.gz RKYJGHLEOUUCCV-GFCCVEGCSA-N 1 0 384.875 2.948 20 0 GFADRO Cc1cc(-c2nn[nH]n2)ccc1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000826248032 607702417 /nfs/dbraw/zinc/70/24/17/607702417.db2.gz UNMDNEYCYLXINS-JXFKEZNVSA-N 1 0 390.491 2.816 20 0 GFADRO COc1cc2c(c(C[NH2+]C3(c4cccc(-c5nn[nH]n5)c4)CC3)c1)O[C@H](C)C2 ZINC000826179258 607704032 /nfs/dbraw/zinc/70/40/32/607704032.db2.gz HBGHKKGCXZQROT-CYBMUJFWSA-N 1 0 377.448 2.978 20 0 GFADRO C[N@H+](CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1)[C@H](C(=O)[O-])c1cccnc1 ZINC000833693277 604871037 /nfs/dbraw/zinc/87/10/37/604871037.db2.gz RNTMCVCCHACNQC-RTWAWAEBSA-N 1 0 383.492 2.585 20 0 GFADRO C[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)C[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1F ZINC000824884758 607750077 /nfs/dbraw/zinc/75/00/77/607750077.db2.gz PBEAQFXUHGJDSB-STQMWFEESA-N 1 0 390.463 2.741 20 0 GFADRO O[C@@H](C[N@@H+]1CC[C@@H](Oc2ccccc2Cl)C1)c1ccc(-c2nn[nH]n2)cc1 ZINC000826503391 607752549 /nfs/dbraw/zinc/75/25/49/607752549.db2.gz WPCSEMWDBYUXEV-WBVHZDCISA-N 1 0 385.855 2.707 20 0 GFADRO C[C@H](C[C@@H]1CCCN1C(=O)[O-])[NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000824767229 605500545 /nfs/dbraw/zinc/50/05/45/605500545.db2.gz HHRBAFBGUAKWNZ-APWZRJJASA-N 1 0 375.513 2.654 20 0 GFADRO CC[N@H+](C)Cc1cccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCCN2C(=O)[O-])c1 ZINC000833856240 605826715 /nfs/dbraw/zinc/82/67/15/605826715.db2.gz BYWOZXSWWZWMHD-ZCNNSNEGSA-N 1 0 375.513 2.775 20 0 GFADRO C[C@H](c1ccccn1)[NH+]1CCN(c2c(-c3nn[nH]n3)cnc3ccccc32)CC1 ZINC000820571445 606110086 /nfs/dbraw/zinc/11/00/86/606110086.db2.gz YPXVCMSVILTTND-OAHLLOKOSA-N 1 0 386.463 2.693 20 0 GFADRO CC[C@H]1c2ccsc2CC[N@H+]1C[C@@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000821000373 606130768 /nfs/dbraw/zinc/13/07/68/606130768.db2.gz DJYISTNONULLKL-PBHICJAKSA-N 1 0 385.493 2.677 20 0 GFADRO C[C@@H]([NH2+]CCC(=O)Nc1sc2c(c1-c1nn[nH]n1)CCCC2)c1ccccn1 ZINC000820420231 606149095 /nfs/dbraw/zinc/14/90/95/606149095.db2.gz NSKWSHFSRGVOPH-GFCCVEGCSA-N 1 0 397.508 2.881 20 0 GFADRO CC(C)[C@H](Oc1ccccc1-c1nn[nH]n1)C(=O)OCCC[NH+]1CCCCC1 ZINC000820031355 606168669 /nfs/dbraw/zinc/16/86/69/606168669.db2.gz CZUODKAHHRTTFQ-SFHVURJKSA-N 1 0 387.484 2.689 20 0 GFADRO O[C@@H](C[C@H]1CCC[N@@H+]1CCOc1ccc(-c2nn[nH]n2)cc1)c1cccs1 ZINC000823672388 606186366 /nfs/dbraw/zinc/18/63/66/606186366.db2.gz DMVNZSUFHLOZQS-WBVHZDCISA-N 1 0 385.493 2.895 20 0 GFADRO CCc1ccc(C(C)(C)C[NH2+][C@@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000821477094 606201652 /nfs/dbraw/zinc/20/16/52/606201652.db2.gz YEHJVGMWZJAKTA-GOSISDBHSA-N 1 0 378.480 2.523 20 0 GFADRO FC(F)(F)c1ccc(NCCC[NH2+]Cc2cc(-c3nn[nH]n3)cs2)nc1 ZINC000822728385 606210307 /nfs/dbraw/zinc/21/03/07/606210307.db2.gz HZACVXZEJVLUSH-UHFFFAOYSA-N 1 0 383.403 2.934 20 0 GFADRO CC[C@@H]1C[N@@H+]2CCCC[C@H]2CN1c1nc(C(F)(F)F)ccc1-c1nn[nH]n1 ZINC000821000227 606226386 /nfs/dbraw/zinc/22/63/86/606226386.db2.gz BDCOTJMMXHACMN-NEPJUHHUSA-N 1 0 381.406 2.734 20 0 GFADRO CN(CC[NH+](C)C)C(=O)c1ccc(Sc2ccccc2-c2nn[nH]n2)cc1 ZINC000821584562 606291327 /nfs/dbraw/zinc/29/13/27/606291327.db2.gz JCUBTCBVQFZCAP-UHFFFAOYSA-N 1 0 382.493 2.652 20 0 GFADRO COc1ccc([C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)N2CCCC2)cc1 ZINC000821777995 606405800 /nfs/dbraw/zinc/40/58/00/606405800.db2.gz REAQQDFHHDPATR-QGZVFWFLSA-N 1 0 384.509 2.864 20 0 GFADRO C[C@@H]1CN([C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)c2cccs2)CCO1 ZINC000820752813 606417878 /nfs/dbraw/zinc/41/78/78/606417878.db2.gz RYLOYXFDVCDXDW-OCCSQVGLSA-N 1 0 390.538 2.541 20 0 GFADRO Cc1noc([C@H]2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3OC(F)F)C2)n1 ZINC000822528269 606484497 /nfs/dbraw/zinc/48/44/97/606484497.db2.gz ZKFMZOOCUWYPNF-ZDUSSCGKSA-N 1 0 391.382 2.539 20 0 GFADRO Cn1nccc1C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2OC(F)F)CC1 ZINC000822708648 606487759 /nfs/dbraw/zinc/48/77/59/606487759.db2.gz ANKQBEJLBRSZQO-UHFFFAOYSA-N 1 0 389.410 2.581 20 0 GFADRO FC(F)Oc1cc(-c2nn[nH]n2)ccc1CN1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000822732585 606492361 /nfs/dbraw/zinc/49/23/61/606492361.db2.gz LGKQZUQUYHQLCA-OAHLLOKOSA-N 1 0 378.427 2.528 20 0 GFADRO CC[NH+](CC)[C@H](CNC(=O)Cc1cccc(-c2nn[nH]n2)c1)c1ccccc1 ZINC000821181028 606493412 /nfs/dbraw/zinc/49/34/12/606493412.db2.gz ISDVEHNTBYDTJR-LJQANCHMSA-N 1 0 378.480 2.609 20 0 GFADRO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@@H]1N2C(=O)Cc1cccc(-c2nn[nH]n2)c1 ZINC000822274986 606498847 /nfs/dbraw/zinc/49/88/47/606498847.db2.gz MKPNSQGAXXQIEP-QUCCMNQESA-N 1 0 388.475 2.552 20 0 GFADRO CN(CC[C@@H]1CCCC[N@@H+]1C)Cc1ccc(-c2nn[nH]n2)cc1OC(F)F ZINC000821599406 606502541 /nfs/dbraw/zinc/50/25/41/606502541.db2.gz RZNWQKFOWWVMGL-HNNXBMFYSA-N 1 0 380.443 2.774 20 0 GFADRO O=C(NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1cc(-c2nn[nH]n2)cs1 ZINC000823145338 606511251 /nfs/dbraw/zinc/51/12/51/606511251.db2.gz RFOPNGLOOHNGPS-ALOPSCKCSA-N 1 0 394.504 2.854 20 0 GFADRO c1ccc(CC[N@@H+](CCOc2ccccc2-c2nn[nH]n2)[C@H]2CCOC2)cc1 ZINC000823781027 606526451 /nfs/dbraw/zinc/52/64/51/606526451.db2.gz YSLVCRPVYDPMKI-SFHVURJKSA-N 1 0 379.464 2.579 20 0 GFADRO O=C(CC[N@@H+]1CCS[C@@H]2CCCC[C@@H]21)Nc1sccc1-c1nn[nH]n1 ZINC000822969565 606528394 /nfs/dbraw/zinc/52/83/94/606528394.db2.gz RFMKRWUKOOWOST-QWHCGFSZSA-N 1 0 378.527 2.617 20 0 GFADRO Cc1ccc(C(=O)N(CC[NH+](C)C)Cc2cccc(-c3nn[nH]n3)c2)c(F)c1 ZINC000822226246 606538240 /nfs/dbraw/zinc/53/82/40/606538240.db2.gz JNRMWACFFNGYMA-UHFFFAOYSA-N 1 0 382.443 2.518 20 0 GFADRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)c2sccc2-c2nn[nH]n2)CC1 ZINC000821621835 606581179 /nfs/dbraw/zinc/58/11/79/606581179.db2.gz IECGADBQHWRSSU-UHFFFAOYSA-N 1 0 382.493 2.665 20 0 GFADRO CC[C@@H](C[NH2+]Cc1cnc2ccc(-c3nn[nH]n3)cn12)Oc1cccc(F)c1 ZINC000820909049 606610956 /nfs/dbraw/zinc/61/09/56/606610956.db2.gz SNVQWMQZCHPAFV-INIZCTEOSA-N 1 0 381.415 2.601 20 0 GFADRO CN(CC[NH+]1CCC(Oc2cccc(-c3nn[nH]n3)c2)CC1)c1ccccc1 ZINC000821601586 606646374 /nfs/dbraw/zinc/64/63/74/606646374.db2.gz PJKVZIZXHMNODP-UHFFFAOYSA-N 1 0 378.480 2.846 20 0 GFADRO CC[NH+](CC)CCN(CC(C)C)C(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000821188620 606671919 /nfs/dbraw/zinc/67/19/19/606671919.db2.gz BDIKONJXZXPHTH-UHFFFAOYSA-N 1 0 380.443 2.585 20 0 GFADRO C[C@@]1(c2ccccc2)CC[N@@H+]([C@@H]2CCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)C1 ZINC000820635995 606717669 /nfs/dbraw/zinc/71/76/69/606717669.db2.gz OJPNGPLDOFEAFX-DENIHFKCSA-N 1 0 388.475 2.636 20 0 GFADRO Fc1ccccc1[C@H]([NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1)C1CCCC1 ZINC000822792537 606734291 /nfs/dbraw/zinc/73/42/91/606734291.db2.gz ZYHGNCZPDQXYBD-FZKQIMNGSA-N 1 0 396.474 2.765 20 0 GFADRO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000820761563 606748427 /nfs/dbraw/zinc/74/84/27/606748427.db2.gz XUPVPQXUUTWDRX-HOTGVXAUSA-N 1 0 390.491 2.753 20 0 GFADRO CC(C)(C)c1nnc(N2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)s1 ZINC000819971017 606756570 /nfs/dbraw/zinc/75/65/70/606756570.db2.gz AQLSENHFOONXNW-UHFFFAOYSA-N 1 0 398.540 2.728 20 0 GFADRO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=S)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)C1 ZINC000820753136 606764964 /nfs/dbraw/zinc/76/49/64/606764964.db2.gz WSBVXEWHUNVDBN-QMTHXVAHSA-N 1 0 379.921 2.535 20 0 GFADRO c1ccc(-c2ccc(C[N@@H+]3CCO[C@@H]([C@H]4CCCO4)C3)cc2)c(-c2nn[nH]n2)c1 ZINC000823766448 606771006 /nfs/dbraw/zinc/77/10/06/606771006.db2.gz DGFXNIAOFLETNG-NHCUHLMSSA-N 1 0 391.475 2.914 20 0 GFADRO CN(C(=O)Nc1ccc(-c2nn[nH]n2)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000821572267 606783141 /nfs/dbraw/zinc/78/31/41/606783141.db2.gz XXYFRBHWZUCZAB-GOSISDBHSA-N 1 0 377.452 2.605 20 0 GFADRO O[C@H](C[NH2+]CC1(N2CCCCC2)CCCCC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823682246 606844923 /nfs/dbraw/zinc/84/49/23/606844923.db2.gz OUYZKXRTSYXOLI-LJQANCHMSA-N 1 0 384.528 2.679 20 0 GFADRO O[C@H](C[NH2+]Cc1ccccc1OC(F)(F)F)c1ccc(-c2nn[nH]n2)cc1 ZINC000823689812 606850115 /nfs/dbraw/zinc/85/01/15/606850115.db2.gz JLCCNZRYNKXGMT-CQSZACIVSA-N 1 0 379.342 2.589 20 0 GFADRO Cc1nc([C@H]2CCC[N@H+](C[C@@H](O)c3ccc(-c4nn[nH]n4)cc3)C2)sc1C ZINC000822436824 606859761 /nfs/dbraw/zinc/85/97/61/606859761.db2.gz ROOBREHEZQBNAC-DLBZAZTESA-N 1 0 384.509 2.853 20 0 GFADRO COc1ccc([C@@H]2CCC[N@@H+]2C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)cc1OC ZINC000821787779 606883890 /nfs/dbraw/zinc/88/38/90/606883890.db2.gz ZVYILOOFUZLYAS-ZWKOTPCHSA-N 1 0 395.463 2.754 20 0 GFADRO CCn1cc(C2CC[NH+](CCCOc3cccc(-c4nn[nH]n4)c3)CC2)cn1 ZINC000821565397 606891335 /nfs/dbraw/zinc/89/13/35/606891335.db2.gz RCNDNTZLCDQELK-UHFFFAOYSA-N 1 0 381.484 2.732 20 0 GFADRO O[C@@H](C[NH+]1CCC(Cc2ccc(F)cc2)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823673287 606892245 /nfs/dbraw/zinc/89/22/45/606892245.db2.gz JZMPUSOFKBUPMT-FQEVSTJZSA-N 1 0 381.455 2.994 20 0 GFADRO Cc1cccc(NC[C@@H]2CC[N@H+](CCCOc3cccc(-c4nn[nH]n4)c3)C2)n1 ZINC000822323242 606901178 /nfs/dbraw/zinc/90/11/78/606901178.db2.gz AWVDHOIOTOVQHP-KRWDZBQOSA-N 1 0 393.495 2.773 20 0 GFADRO CCc1nnc(N2CCC[C@@H](C[NH+]3CCCCCC3)C2)c(-c2nn[nH]n2)c1CC ZINC000821523233 606930477 /nfs/dbraw/zinc/93/04/77/606930477.db2.gz RYYFRIIWUDCCGZ-INIZCTEOSA-N 1 0 398.559 2.874 20 0 GFADRO Cc1cccc(NC(=O)[C@H]2CCC[N@H+](Cc3ccc(F)c(-c4nn[nH]n4)c3)C2)n1 ZINC000822323266 606964391 /nfs/dbraw/zinc/96/43/91/606964391.db2.gz BVJGYAZDXBKKDU-HNNXBMFYSA-N 1 0 395.442 2.560 20 0 GFADRO O=C(CC1CCCC1)NC1CC[NH+](Cc2ccc(F)c(-c3nn[nH]n3)c2)CC1 ZINC000822941314 606972407 /nfs/dbraw/zinc/97/24/07/606972407.db2.gz UPIRFUITUOUNFC-UHFFFAOYSA-N 1 0 386.475 2.667 20 0 GFADRO COc1cc(OC)cc(N2CCC[N@H+](Cc3ccccc3-c3nn[nH]n3)CC2)c1 ZINC000821724030 606982512 /nfs/dbraw/zinc/98/25/12/606982512.db2.gz OKKOIVACSZQWNK-UHFFFAOYSA-N 1 0 394.479 2.596 20 0 GFADRO O[C@@H](C[C@H]1CCC[N@@H+]1CCCOc1ccc(-c2nn[nH]n2)cc1)c1ccco1 ZINC000823675459 606986402 /nfs/dbraw/zinc/98/64/02/606986402.db2.gz WYHRCRHBVXCJQI-AEFFLSMTSA-N 1 0 383.452 2.817 20 0 GFADRO C[C@@H]([NH2+][C@@H](C)c1cccc(NS(C)(=O)=O)c1)c1ccc(-c2nn[nH]n2)cc1 ZINC000820413672 607015230 /nfs/dbraw/zinc/01/52/30/607015230.db2.gz TWWIRWGEISEUEM-OLZOCXBDSA-N 1 0 386.481 2.650 20 0 GFADRO c1ccc2c(c1)CCC[C@H]2[NH2+]C1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1 ZINC000823797452 607048775 /nfs/dbraw/zinc/04/87/75/607048775.db2.gz PJWOFOBRXMUTBE-LJQANCHMSA-N 1 0 375.480 2.898 20 0 GFADRO COc1cc(N[C@H]2CCC[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C2)cc(OC)c1 ZINC000821719304 607177607 /nfs/dbraw/zinc/17/76/07/607177607.db2.gz AYANKKODBVHOPE-KRWDZBQOSA-N 1 0 394.479 2.960 20 0 GFADRO C[C@H](CNC(=O)Nc1ccc(-c2nn[nH]n2)cc1Cl)[N@@H+]1CCC[C@@H](C)C1 ZINC000820709040 607201390 /nfs/dbraw/zinc/20/13/90/607201390.db2.gz CFDZBPNINNGSRP-VXGBXAGGSA-N 1 0 377.880 2.762 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)Nc1ccc(-c2nn[nH]n2)cc1Cl)Cc1ccccc1 ZINC000821580062 607203297 /nfs/dbraw/zinc/20/32/97/607203297.db2.gz XZBNMXHAUYKQJS-OAHLLOKOSA-N 1 0 399.886 2.815 20 0 GFADRO CC1(COC(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC[NH+](Cc2ccccc2)CC1 ZINC000824829512 607779039 /nfs/dbraw/zinc/77/90/39/607779039.db2.gz FIVCVMUZBKTWOG-UHFFFAOYSA-N 1 0 380.452 2.654 20 0 GFADRO O[C@@H]1C[C@H](c2ccc(C(F)(F)F)cc2)[N@H+](Cc2ccnc(-c3nn[nH]n3)c2)C1 ZINC000826505643 607830955 /nfs/dbraw/zinc/83/09/55/607830955.db2.gz BDIXURBUOFXGQH-GDBMZVCRSA-N 1 0 390.369 2.588 20 0 GFADRO CC(=O)c1ccc2c(c1)CC[N@@H+](CCOc1ccc(-c3nn[nH]n3)cc1)CC2 ZINC000824029123 607926052 /nfs/dbraw/zinc/92/60/52/607926052.db2.gz DWBUUQFJACNAGL-UHFFFAOYSA-N 1 0 377.448 2.549 20 0 GFADRO O[C@H]1C[C@@H](c2ccc(F)cc2)[N@H+](CCCOc2cccc(-c3nn[nH]n3)c2)C1 ZINC000826505926 607943434 /nfs/dbraw/zinc/94/34/34/607943434.db2.gz ILSDOWGDCNJRDU-HKUYNNGSSA-N 1 0 383.427 2.583 20 0 GFADRO O[C@H]1C[C@H](c2ccc(F)cc2)[N@H+](Cc2cn3ccccc3c2-c2nn[nH]n2)C1 ZINC000826506354 607943864 /nfs/dbraw/zinc/94/38/64/607943864.db2.gz SPBWKYWLKTYSMU-FUHWJXTLSA-N 1 0 378.411 2.566 20 0 GFADRO COc1ccc(OC)c(CCC[NH2+]Cc2ccc(OC)c(-c3nn[nH]n3)c2)c1 ZINC000826210881 607977201 /nfs/dbraw/zinc/97/72/01/607977201.db2.gz IIZVWTHXWRMLOD-UHFFFAOYSA-N 1 0 383.452 2.615 20 0 GFADRO C[NH+](C)[C@H](CNc1ccc(-c2nn[nH]n2)cc1Br)c1ccco1 ZINC000825848480 607987663 /nfs/dbraw/zinc/98/76/63/607987663.db2.gz DFPHWIOABGNGFC-CYBMUJFWSA-N 1 0 377.246 2.937 20 0 GFADRO C[N@@H+]1CC[C@@H](NC(=O)CSc2ccc(-c3nn[nH]n3)cc2)[C@H]1c1ccccc1 ZINC000826029221 608007759 /nfs/dbraw/zinc/00/77/59/608007759.db2.gz QTFOZJOULXRCPS-IEBWSBKVSA-N 1 0 394.504 2.520 20 0 GFADRO C[NH2+]CCCc1[nH]nc(NC(=O)C[C@H]2C[C@@H](C)CC(C)(C)C2)c1-c1nn[nH]n1 ZINC000826077849 608020467 /nfs/dbraw/zinc/02/04/67/608020467.db2.gz XQVZJHNKCDXWNR-CHWSQXEVSA-N 1 0 388.520 2.533 20 0 GFADRO CC[C@@H](CC1CCCCC1)C(=O)Nc1n[nH]c(CCC[NH2+]C)c1-c1nn[nH]n1 ZINC000825114137 608021027 /nfs/dbraw/zinc/02/10/27/608021027.db2.gz JYNIGKIIWVZXRX-AWEZNQCLSA-N 1 0 388.520 2.677 20 0 GFADRO COc1ccc([C@](C)(O)[C@@H]2CCC[N@@H+]2Cc2cc(-c3nn[nH]n3)ccc2F)cc1 ZINC000826188082 608064613 /nfs/dbraw/zinc/06/46/13/608064613.db2.gz NCYXOIGIXXKIKU-FPOVZHCZSA-N 1 0 397.454 2.887 20 0 GFADRO COc1ccccc1OC[C@@H](C)C[NH2+]Cc1ccc(OC)c(-c2nn[nH]n2)c1 ZINC000826220429 608113391 /nfs/dbraw/zinc/11/33/91/608113391.db2.gz NLHMXRAQXXJREZ-AWEZNQCLSA-N 1 0 383.452 2.689 20 0 GFADRO C[C@H](C(=O)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)c1ccccc1 ZINC000826231990 608144890 /nfs/dbraw/zinc/14/48/90/608144890.db2.gz AQGZFFFUEBNSNC-KRWDZBQOSA-N 1 0 390.491 2.705 20 0 GFADRO CC[N@H+](Cc1ccc(OC)cc1)[C@@H]1CCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000825435119 608153181 /nfs/dbraw/zinc/15/31/81/608153181.db2.gz MPHHTSWVNXNLMC-LJQANCHMSA-N 1 0 392.463 2.503 20 0 GFADRO CC(=O)N1CC[N@H+](CCCOc2ccc(-c3nn[nH]n3)cc2)CC12CCCCC2 ZINC000823980438 608255140 /nfs/dbraw/zinc/25/51/40/608255140.db2.gz CREALERFQJPLBW-UHFFFAOYSA-N 1 0 398.511 2.503 20 0 GFADRO C[C@H]([NH2+]CCOc1ccc(-c2nn[nH]n2)cc1)c1ccc(N2CCCC2=O)cc1 ZINC000824599092 608279444 /nfs/dbraw/zinc/27/94/44/608279444.db2.gz MDMUEZMKANDKND-HNNXBMFYSA-N 1 0 392.463 2.723 20 0 GFADRO COCc1cc([C@@H](C)[NH2+]CCOc2ccc(-c3nn[nH]n3)cc2)ccc1OC ZINC000826164244 608281829 /nfs/dbraw/zinc/28/18/29/608281829.db2.gz KWHXQWIKZGGQDG-CQSZACIVSA-N 1 0 383.452 2.751 20 0 GFADRO COCc1cc([C@H](C)[NH2+]CCOc2ccc(-c3nn[nH]n3)cc2)ccc1OC ZINC000826164243 608281871 /nfs/dbraw/zinc/28/18/71/608281871.db2.gz KWHXQWIKZGGQDG-AWEZNQCLSA-N 1 0 383.452 2.751 20 0 GFADRO COc1ccc(C[NH2+][C@@H](C)c2ccc3c(c2)C(C)(C)C(=O)N3)cc1-c1nn[nH]n1 ZINC000826202224 608286871 /nfs/dbraw/zinc/28/68/71/608286871.db2.gz RZYJSPJYZAATFU-LBPRGKRZSA-N 1 0 392.463 2.956 20 0 GFADRO c1nc2cnccn2c1C[NH2+]Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000826519087 608311169 /nfs/dbraw/zinc/31/11/69/608311169.db2.gz JOAWYBIQRMYRRL-UHFFFAOYSA-N 1 0 382.431 2.866 20 0 GFADRO COc1cc(-c2nn[nH]n2)ccc1C[N@@H+]1CCCN(Cc2ccc(F)cc2)CC1 ZINC000826169585 608353788 /nfs/dbraw/zinc/35/37/88/608353788.db2.gz XKDTXINKXFCIRF-UHFFFAOYSA-N 1 0 396.470 2.722 20 0 GFADRO COc1cc(-c2nn[nH]n2)ccc1C[N@@H+]1CCC[C@H](CC(=O)OC(C)(C)C)C1 ZINC000826169156 608368732 /nfs/dbraw/zinc/36/87/32/608368732.db2.gz JWMKURSXBLUCMQ-CQSZACIVSA-N 1 0 387.484 2.819 20 0 GFADRO Fc1ccc(F)c2c1ncc(-c1nn[nH]n1)c2N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000826375384 608370408 /nfs/dbraw/zinc/37/04/08/608370408.db2.gz LOMYUWATJBFQPC-LBPRGKRZSA-N 1 0 385.422 2.758 20 0 GFADRO CCOc1ccc([C@@H](C)[NH2+]CCC(=O)Nc2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000825631455 608430579 /nfs/dbraw/zinc/43/05/79/608430579.db2.gz AAXWJZFWINSKJY-CQSZACIVSA-N 1 0 380.452 2.945 20 0 GFADRO C[NH+](C)C1CCN(c2ccc(NC(=O)c3sccc3-c3nn[nH]n3)cc2)CC1 ZINC000825856448 608430769 /nfs/dbraw/zinc/43/07/69/608430769.db2.gz WQHFRSBTVWXUGT-UHFFFAOYSA-N 1 0 397.508 2.711 20 0 GFADRO COc1cccc([C@@H](C)[NH2+]CC(=O)Nc2cc(Cl)ccc2-c2nn[nH]n2)c1 ZINC000826214348 608432193 /nfs/dbraw/zinc/43/21/93/608432193.db2.gz IYLFPGHGXVTYRP-LLVKDONJSA-N 1 0 386.843 2.818 20 0 GFADRO COc1cccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2oc(C)c(C)c2-c2nn[nH]n2)c1 ZINC000826214416 608432350 /nfs/dbraw/zinc/43/23/50/608432350.db2.gz LNCNJWDTTOYFFV-NWDGAFQWSA-N 1 0 384.440 2.763 20 0 GFADRO CCOc1ccccc1[C@H](C)[NH2+]Cc1cccc(C(=O)OC)c1-c1nn[nH]n1 ZINC000825654091 608438405 /nfs/dbraw/zinc/43/84/05/608438405.db2.gz OCAATQCZOWVDGI-ZDUSSCGKSA-N 1 0 381.436 2.903 20 0 GFADRO COc1cc(C)c([C@@H](C)[NH2+]C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)cc1OC ZINC000826177914 608447361 /nfs/dbraw/zinc/44/73/61/608447361.db2.gz ARQNHGZKPVWSFW-DYVFJYSZSA-N 1 0 383.452 2.577 20 0 GFADRO COc1cc([C@@H](C)[NH2+]Cc2cccc(-c3nn[nH]n3)c2F)cc(OC)c1OC ZINC000826177293 608449385 /nfs/dbraw/zinc/44/93/85/608449385.db2.gz BTRLNQLJSIKQJN-LLVKDONJSA-N 1 0 387.415 2.882 20 0 GFADRO CC[C@H]([NH2+][C@H](C)C(=O)Nc1ccccc1-c1nn[nH]n1)c1ccccc1OC ZINC000825139084 608455947 /nfs/dbraw/zinc/45/59/47/608455947.db2.gz BJUIVZZRXPJVIU-CJNGLKHVSA-N 1 0 380.452 2.943 20 0 GFADRO CC[C@H]([NH2+]CCC(=O)Nc1ccc(-c2nn[nH]n2)cc1)c1ccccc1OC ZINC000825139356 608456014 /nfs/dbraw/zinc/45/60/14/608456014.db2.gz FCXQMPFGLNAJQH-KRWDZBQOSA-N 1 0 380.452 2.945 20 0 GFADRO CC[C@H]([NH2+][C@@H](C)c1ccc(-c2nn[nH]n2)cc1)c1ccccc1OCC(=O)NC ZINC000825143991 608457793 /nfs/dbraw/zinc/45/77/93/608457793.db2.gz XFDYYZNFCKCCDR-KSSFIOAISA-N 1 0 394.479 2.793 20 0 GFADRO Cc1ccc(SCCNC(=O)C[NH2+][C@@H](C)c2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000826293014 608466319 /nfs/dbraw/zinc/46/63/19/608466319.db2.gz XBDWMZNJIDQQAR-HNNXBMFYSA-N 1 0 396.520 2.734 20 0 GFADRO C[C@H]([NH2+]CC(=O)N1c2ccccc2CC[C@@H]1C)c1ccc(-c2nn[nH]n2)cc1 ZINC000824555099 608466486 /nfs/dbraw/zinc/46/64/86/608466486.db2.gz USFKEFBSQWBJBA-GJZGRUSLSA-N 1 0 376.464 2.885 20 0 GFADRO CC(C)[NH+]1CCC(C(=O)N2CC=C(c3ccc(-c4nn[nH]n4)cc3)CC2)CC1 ZINC000824297396 608480031 /nfs/dbraw/zinc/48/00/31/608480031.db2.gz VSPZBCGAMVDXDY-UHFFFAOYSA-N 1 0 380.496 2.603 20 0 GFADRO CCOc1ccc(CN(C)C(=O)C[NH2+][C@H](C)c2cccc(-c3nn[nH]n3)c2)cc1 ZINC000825638421 608482377 /nfs/dbraw/zinc/48/23/77/608482377.db2.gz KZLIZVHVJCSJLV-OAHLLOKOSA-N 1 0 394.479 2.575 20 0 GFADRO C[C@@H]([NH2+]CC(=O)N[C@@H]1CCCc2ccccc21)c1cccc(-c2nn[nH]n2)c1 ZINC000824556022 608491880 /nfs/dbraw/zinc/49/18/80/608491880.db2.gz ZHBVPQWLPRUFHG-AUUYWEPGSA-N 1 0 376.464 2.711 20 0 GFADRO CC(C)(C)C(=O)N1CCC([NH2+][C@@H]2CCCc3cc(-c4nn[nH]n4)ccc32)CC1 ZINC000824065332 608501565 /nfs/dbraw/zinc/50/15/65/608501565.db2.gz XJBNZSUOFNTOAA-GOSISDBHSA-N 1 0 382.512 2.871 20 0 GFADRO FC(F)(F)CN1CC[C@H](C[NH2+][C@H]2CCCc3cc(-c4nn[nH]n4)ccc32)C1 ZINC000826367783 608502883 /nfs/dbraw/zinc/50/28/83/608502883.db2.gz NVEIFSBWUPMMAN-WBMJQRKESA-N 1 0 380.418 2.718 20 0 GFADRO C[C@H]([NH2+]CCOc1ccccc1-c1nn[nH]n1)c1ccccc1-n1cccn1 ZINC000824600388 608517297 /nfs/dbraw/zinc/51/72/97/608517297.db2.gz ZRVMIAJNGIXXII-HNNXBMFYSA-N 1 0 375.436 2.782 20 0 GFADRO COc1ccc([C@H](CCO)[NH2+][C@H]2CCCc3cc(-c4nn[nH]n4)ccc32)cc1 ZINC000826188560 608517914 /nfs/dbraw/zinc/51/79/14/608517914.db2.gz ARAOGLQOTPTTOS-PMACEKPBSA-N 1 0 379.464 2.966 20 0 GFADRO CC(C)OC(=O)N1CCC([NH2+][C@@H]2CCCc3cc(-c4nn[nH]n4)ccc32)CC1 ZINC000824309187 608519759 /nfs/dbraw/zinc/51/97/59/608519759.db2.gz IEUOKQZCUITKFT-GOSISDBHSA-N 1 0 384.484 2.843 20 0 GFADRO O=C(NCCC[NH2+][C@@H]1CCCc2cc(-c3nn[nH]n3)ccc21)c1cccc(F)c1 ZINC000826436764 608520696 /nfs/dbraw/zinc/52/06/96/608520696.db2.gz HNTZVEOKBOFJQN-LJQANCHMSA-N 1 0 394.454 2.793 20 0 GFADRO COc1cccc(C2([NH2+]CCC(=O)Nc3sccc3-c3nn[nH]n3)CC2)c1 ZINC000826215501 608550981 /nfs/dbraw/zinc/55/09/81/608550981.db2.gz QFYAINKPADACJR-UHFFFAOYSA-N 1 0 384.465 2.544 20 0 GFADRO c1cc(OCCC[NH2+]C2(c3ccc4c(c3)OCO4)CC2)cc(-c2nn[nH]n2)c1 ZINC000826517440 608556065 /nfs/dbraw/zinc/55/60/65/608556065.db2.gz CGNKYBZBQZJQFA-UHFFFAOYSA-N 1 0 379.420 2.643 20 0 GFADRO CC(C)C[N@H+](Cc1ccc(C(=O)N(C)C)[nH]1)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000824261641 608568198 /nfs/dbraw/zinc/56/81/98/608568198.db2.gz NSNYGARUDWFIFH-UHFFFAOYSA-N 1 0 381.484 2.555 20 0 GFADRO CN1C(=O)C[C@@H]([NH2+]Cc2cc(-c3nn[nH]n3)cs2)[C@@H]1c1ccc(Cl)cc1 ZINC000826011011 608569022 /nfs/dbraw/zinc/56/90/22/608569022.db2.gz UDQCIVWMWBCGDI-ZBFHGGJFSA-N 1 0 388.884 2.643 20 0 GFADRO C[C@@H](CCc1ccccc1)C[NH+]1CCN(c2ncccc2-c2nn[nH]n2)CC1 ZINC000824406315 608580051 /nfs/dbraw/zinc/58/00/51/608580051.db2.gz HIYFNUAQSOCXHN-KRWDZBQOSA-N 1 0 377.496 2.653 20 0 GFADRO COc1cc(-c2nn[nH]n2)ccc1OCC[NH+]1CCC(c2cccnc2)CC1 ZINC000826175786 608583443 /nfs/dbraw/zinc/58/34/43/608583443.db2.gz QHVACWRQJFUSMP-UHFFFAOYSA-N 1 0 380.452 2.529 20 0 GFADRO CC(C)(C)OC(=O)NC[C@H]1CCC[N@H+](Cc2cc(-c3nn[nH]n3)cs2)C1 ZINC000824109372 608634618 /nfs/dbraw/zinc/63/46/18/608634618.db2.gz OHODFISZTFGRGP-GFCCVEGCSA-N 1 0 378.502 2.665 20 0 GFADRO O=C(NC[C@@H]1CCCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)s1)c1ccccc1 ZINC000826434492 608661439 /nfs/dbraw/zinc/66/14/39/608661439.db2.gz OJJCLHIJCRQMSI-HNNXBMFYSA-N 1 0 382.493 2.713 20 0 GFADRO c1nc2ccc(-c3nn[nH]n3)cn2c1C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000826519323 608679361 /nfs/dbraw/zinc/67/93/61/608679361.db2.gz UHLUXFVZQYLHQX-MRXNPFEDSA-N 1 0 389.419 2.580 20 0 GFADRO C[N@@H+](Cc1cccc(OCc2cccc(-c3nn[nH]n3)c2)c1)C[C@H]1CCOC1 ZINC000825981902 608743882 /nfs/dbraw/zinc/74/38/82/608743882.db2.gz ZTWFDEMQGVVZGX-GOSISDBHSA-N 1 0 379.464 2.914 20 0 GFADRO COc1ccc(-c2nn[nH]n2)cc1C[N@@H+]1CCC[C@H]1Cn1cnc2ccccc21 ZINC000826183272 608802346 /nfs/dbraw/zinc/80/23/46/608802346.db2.gz JYNJLIOHMWCVSJ-KRWDZBQOSA-N 1 0 389.463 2.890 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@@H+]1Cc1ccc(-c2nn[nH]n2)s1 ZINC000824892350 608845172 /nfs/dbraw/zinc/84/51/72/608845172.db2.gz HDMNNSKGZXYPHM-NEPJUHHUSA-N 1 0 378.502 2.806 20 0 GFADRO O=C(CCCC(F)(F)F)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826405619 608886372 /nfs/dbraw/zinc/88/63/72/608886372.db2.gz MMMAZYMVDKGIJY-UHFFFAOYSA-N 1 0 396.417 2.634 20 0 GFADRO COc1ccccc1CCC[NH+]1CCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826219669 609138183 /nfs/dbraw/zinc/13/81/83/609138183.db2.gz LYBBAHVSJVCLPI-UHFFFAOYSA-N 1 0 392.507 2.626 20 0 GFADRO C[C@H]([NH2+][C@H](CO)Cc1c[nH]c2ccccc12)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824531663 609144093 /nfs/dbraw/zinc/14/40/93/609144093.db2.gz PVQQHZZDEJDTNV-WFASDCNBSA-N 1 0 380.427 2.741 20 0 GFADRO O[C@H](COc1ccc(-c2nn[nH]n2)cc1)C[N@@H+]1CCC[C@H]1/C=C\c1ccccc1 ZINC000826504261 609150417 /nfs/dbraw/zinc/15/04/17/609150417.db2.gz RFTDUIDGMYBTKF-SAFBXNTFSA-N 1 0 391.475 2.784 20 0 GFADRO O[C@H](COc1ccc(-c2nn[nH]n2)cc1)C[N@@H+]1CCC[C@@H]1/C=C/c1ccccc1 ZINC000826504259 609150614 /nfs/dbraw/zinc/15/06/14/609150614.db2.gz RFTDUIDGMYBTKF-FZTBYCBGSA-N 1 0 391.475 2.784 20 0 GFADRO Cc1ccc2nc(C[NH2+]CCSCc3ccccc3-c3nn[nH]n3)cn2c1 ZINC000826295694 609170199 /nfs/dbraw/zinc/17/01/99/609170199.db2.gz UERQYTXRAQAGNF-UHFFFAOYSA-N 1 0 379.493 2.846 20 0 GFADRO C[C@H]1CCC[C@](CNC(=O)c2ccc(Cl)c(-c3nn[nH]n3)c2)([NH+](C)C)C1 ZINC000824925997 609297996 /nfs/dbraw/zinc/29/79/96/609297996.db2.gz IDMCTOASODJINJ-SGTLLEGYSA-N 1 0 376.892 2.760 20 0 GFADRO C[NH+](C)CCOc1ccc(NC(=O)c2ccc(Cl)c(-c3nn[nH]n3)c2)cc1 ZINC000825870674 609298314 /nfs/dbraw/zinc/29/83/14/609298314.db2.gz XUJBBOFSLBINBL-UHFFFAOYSA-N 1 0 386.843 2.713 20 0 GFADRO CCC(CC)[C@@H](C[NH2+][C@@H](C)c1ccc(-c2nn[nH]n2)cc1F)N1CCOCC1 ZINC000825094715 609326584 /nfs/dbraw/zinc/32/65/84/609326584.db2.gz AMRWBLZAWPVYIM-IFXJQAMLSA-N 1 0 390.507 2.793 20 0 GFADRO Cn1cc(C[NH2+]CCCOc2ccccc2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826361618 609336133 /nfs/dbraw/zinc/33/61/33/609336133.db2.gz FYLMKQRMKAPSFL-UHFFFAOYSA-N 1 0 389.463 2.826 20 0 GFADRO CC[C@@H]1CN(C(=O)C(C)C)CC[C@@H]1[NH2+][C@@H](C)c1ccc(-c2nn[nH]n2)cc1F ZINC000825203521 609338958 /nfs/dbraw/zinc/33/89/58/609338958.db2.gz NHRQDIMAOQRWLT-IYOUNJFTSA-N 1 0 388.491 2.940 20 0 GFADRO C[C@@H]([NH2+][C@H]1CCN(c2ncccc2Cl)C1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824554303 609339557 /nfs/dbraw/zinc/33/95/57/609339557.db2.gz OJRHXPYQPRDDLS-YPMHNXCESA-N 1 0 387.850 2.984 20 0 GFADRO C[C@@H]([NH2+]C[C@H]1CC(=O)N(Cc2ccccc2)C1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824578764 609345065 /nfs/dbraw/zinc/34/50/65/609345065.db2.gz VULFTYNITIJKAZ-GDBMZVCRSA-N 1 0 394.454 2.705 20 0 GFADRO Brc1cc(-c2nn[nH]n2)ccc1C[N@@H+]1CCC[C@H](n2ccnc2)C1 ZINC000823821367 609361077 /nfs/dbraw/zinc/36/10/77/609361077.db2.gz SYOUGJJPRXEDTI-AWEZNQCLSA-N 1 0 388.273 2.663 20 0 GFADRO Brc1cc(-c2nn[nH]n2)ccc1C[NH+]1CCC2(CCOC2)CC1 ZINC000823821710 609366210 /nfs/dbraw/zinc/36/62/10/609366210.db2.gz YCBSLPJWJLJAML-UHFFFAOYSA-N 1 0 378.274 2.632 20 0 GFADRO CC[NH+]1CCC(NC(=O)c2ccccc2Oc2ccccc2-c2nn[nH]n2)CC1 ZINC000825453504 609366956 /nfs/dbraw/zinc/36/69/56/609366956.db2.gz VIRXRTKKGBYHSY-UHFFFAOYSA-N 1 0 392.463 2.873 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)c1ccccc1Oc1ccccc1-c1nn[nH]n1)C1CC1 ZINC000825849327 609375390 /nfs/dbraw/zinc/37/53/90/609375390.db2.gz KEGVRTMFKXPBMZ-KRWDZBQOSA-N 1 0 392.463 2.729 20 0 GFADRO C[NH+](C)C[C@@H]1CCN(C(=O)c2ccccc2Oc2ccccc2-c2nn[nH]n2)C1 ZINC000825859088 609384028 /nfs/dbraw/zinc/38/40/28/609384028.db2.gz CMNDHQKBOADGOD-HNNXBMFYSA-N 1 0 392.463 2.683 20 0 GFADRO O=C1[C@H]([NH2+]C[C@H]2CCc3ccccc32)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826477022 609415560 /nfs/dbraw/zinc/41/55/60/609415560.db2.gz UIQAQQGKIUAJOK-YLJYHZDGSA-N 1 0 388.475 2.682 20 0 GFADRO O=C1[C@@H]([NH2+][C@H]2CCc3ccc(F)cc32)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826477138 609415797 /nfs/dbraw/zinc/41/57/97/609415797.db2.gz WKGILTPIUIDFPM-OALUTQOASA-N 1 0 392.438 2.778 20 0 GFADRO OC[C@@H]([NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)c1ccc(C(F)(F)F)cc1 ZINC000826508271 609429805 /nfs/dbraw/zinc/42/98/05/609429805.db2.gz KOYMEZBTSIAIJE-OAHLLOKOSA-N 1 0 381.333 2.848 20 0 GFADRO C[C@@H]([NH2+][C@@H]1CCCN(C)C1=O)c1ccc(-c2cccc(-c3nn[nH]n3)c2)cc1 ZINC000824548058 609449978 /nfs/dbraw/zinc/44/99/78/609449978.db2.gz UWUARDBUWADHOM-AUUYWEPGSA-N 1 0 376.464 2.805 20 0 GFADRO CC(C)(COc1ncccc1C(F)(F)F)[NH2+]Cc1ccnc(-c2nn[nH]n2)c1 ZINC000824162830 609496603 /nfs/dbraw/zinc/49/66/03/609496603.db2.gz QBPQTLLWVQCQSM-UHFFFAOYSA-N 1 0 393.373 2.623 20 0 GFADRO CC[C@H]1C[C@@H](C[NH2+]C2CCC(Oc3ccc(-c4nn[nH]n4)cn3)CC2)CCO1 ZINC000825181077 609596049 /nfs/dbraw/zinc/59/60/49/609596049.db2.gz BZJCTVYQJCMSBW-VNCIIQTRSA-N 1 0 386.500 2.747 20 0 GFADRO CCSc1nnc(NC(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)s1 ZINC000532643816 650028931 /nfs/dbraw/zinc/02/89/31/650028931.db2.gz QXOIOOBASZLJTE-CHWSQXEVSA-N 1 0 385.559 2.540 20 0 GFADRO CCN1CCC([N@@H+]2CCCN(Cc3ccnc(Br)c3)CC2)CC1 ZINC000817285447 660188934 /nfs/dbraw/zinc/18/89/34/660188934.db2.gz KQYYNESQCMMANF-UHFFFAOYSA-N 1 0 381.362 2.836 20 0 GFADRO C[NH+](C)CCn1ccc(NC(=O)N2CCc3ccc(Br)cc3C2)n1 ZINC000497676037 650838479 /nfs/dbraw/zinc/83/84/79/650838479.db2.gz JKTPAVCVQMZYRB-UHFFFAOYSA-N 1 0 392.301 2.797 20 0 GFADRO CC[S@@](=O)CC[NH2+]Cc1cc(Br)cc(Br)c1N ZINC000765926161 656154759 /nfs/dbraw/zinc/15/47/59/656154759.db2.gz LPKMQJNMCSNILJ-QGZVFWFLSA-N 1 0 384.137 2.652 20 0 GFADRO CCOc1nn(CN2CCC[N@@H+](C3CCN(CC)CC3)CC2)c(=S)s1 ZINC000817372618 660192277 /nfs/dbraw/zinc/19/22/77/660192277.db2.gz KWKKVBWHEIYCSI-UHFFFAOYSA-N 1 0 385.603 2.522 20 0 GFADRO [NH3+][C@@H]1CCO[C@@H](C2CCN(C(=O)/C=C\c3ccc(Br)o3)CC2)C1 ZINC000818014789 660213693 /nfs/dbraw/zinc/21/36/93/660213693.db2.gz NRZHDBYBPSNFNC-ANSVFARNSA-N 1 0 383.286 2.800 20 0 GFADRO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000818019273 660213961 /nfs/dbraw/zinc/21/39/61/660213961.db2.gz RCUSIZJYIASFSK-GOSISDBHSA-N 1 0 391.265 2.832 20 0 GFADRO O=C(Nc1cccc(C2SCCS2)c1)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000818048694 660214646 /nfs/dbraw/zinc/21/46/46/660214646.db2.gz LONJAEWFBRPOPX-CQSZACIVSA-N 1 0 375.523 2.934 20 0 GFADRO COc1ccc(Br)c(CONC(=[NH2+])[C@@H]2CN(C(C)C)CCO2)c1 ZINC000818083373 660215819 /nfs/dbraw/zinc/21/58/19/660215819.db2.gz YALZHHPIAGBSON-HNNXBMFYSA-N 1 0 386.290 2.565 20 0 GFADRO CCOC(=O)N=c1[nH]c2ccc(NC(=O)C[C@@H]3CSCC[NH2+]3)cc2s1 ZINC000818471442 660226879 /nfs/dbraw/zinc/22/68/79/660226879.db2.gz VRUXZQMLDPFBBL-LLVKDONJSA-N 1 0 380.495 2.898 20 0 GFADRO Cc1ccc(-n2nc(Br)cc2C(=O)N(C)C2(C[NH3+])CCC2)cc1 ZINC000818596497 660229424 /nfs/dbraw/zinc/22/94/24/660229424.db2.gz IBMCKWKIXFFZLL-UHFFFAOYSA-N 1 0 377.286 2.897 20 0 GFADRO Cc1ccc(-n2nc(Br)cc2C(=O)N2CCC[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000818605253 660229977 /nfs/dbraw/zinc/22/99/77/660229977.db2.gz VLHKZMMCOIJACS-XJKSGUPXSA-N 1 0 389.297 2.767 20 0 GFADRO CN(C)S(=O)(=O)c1ccc(C[NH2+]C[C@@H](O)c2ccc(Cl)c(F)c2)cc1 ZINC000818962695 660238920 /nfs/dbraw/zinc/23/89/20/660238920.db2.gz VOTVJXPYGKGSLP-QGZVFWFLSA-N 1 0 386.876 2.553 20 0 GFADRO O=C(c1ccoc1)N1CCC([NH2+]C[C@@H](O)c2ccc(Br)cc2)CC1 ZINC000818948629 660236985 /nfs/dbraw/zinc/23/69/85/660236985.db2.gz ULGZXSCJDUGYQP-QGZVFWFLSA-N 1 0 393.281 2.970 20 0 GFADRO CC(C)NS(=O)(=O)c1cccc(C[NH2+]C[C@H](O)c2ccccc2Cl)c1 ZINC000818948732 660237231 /nfs/dbraw/zinc/23/72/31/660237231.db2.gz HFKSLTMSBPKLMX-SFHVURJKSA-N 1 0 382.913 2.850 20 0 GFADRO O=S(=O)(CC[NH2+]C[C@H](O)c1ccc(F)cc1F)c1ccc(Cl)cc1 ZINC000818973495 660239656 /nfs/dbraw/zinc/23/96/56/660239656.db2.gz REHLCPSIAQDNKH-INIZCTEOSA-N 1 0 375.824 2.715 20 0 GFADRO Cc1ncc2c(n1)CCC[C@H]2[NH2+]C[C@@H](O)COc1ccc(Br)cc1 ZINC000819080783 660245809 /nfs/dbraw/zinc/24/58/09/660245809.db2.gz INPLFPGJKRTFPK-RHSMWYFYSA-N 1 0 392.297 2.954 20 0 GFADRO CC(C)(C)OC(=O)NCC[NH2+]CCC(=O)Nc1cccc(Br)c1 ZINC000818982585 660241202 /nfs/dbraw/zinc/24/12/02/660241202.db2.gz OLOFBVVDZAQAQV-UHFFFAOYSA-N 1 0 386.290 2.892 20 0 GFADRO CC(C)(C)OC(=O)NCC[C@@H](O)C[NH2+]Cc1ccc(Br)c(F)c1 ZINC000818984367 660241277 /nfs/dbraw/zinc/24/12/77/660241277.db2.gz FSYBEWWKGUNESW-GFCCVEGCSA-N 1 0 391.281 2.954 20 0 GFADRO Cc1ccccc1[C@@H](O)C[NH2+]CCNC(=O)c1cccc(Br)c1 ZINC000818988976 660241941 /nfs/dbraw/zinc/24/19/41/660241941.db2.gz GQWOXYOJYKLMFB-KRWDZBQOSA-N 1 0 377.282 2.811 20 0 GFADRO C[C@@H]1COCCN1CC[NH2+]C[C@](C)(O)c1ccc(Br)cc1Cl ZINC000819017701 660243513 /nfs/dbraw/zinc/24/35/13/660243513.db2.gz KWHLMKGUYPKTFK-WBMJQRKESA-N 1 0 391.737 2.620 20 0 GFADRO CC(C)(C)OC(=O)N1CC([NH2+]C[C@H](O)c2ccc(F)c(Br)c2)C1 ZINC000819080216 660245832 /nfs/dbraw/zinc/24/58/32/660245832.db2.gz ZCORTOSPZMGQPU-AWEZNQCLSA-N 1 0 389.265 2.831 20 0 GFADRO CN(C)[C@]1(C[NH2+]C[C@@H](O)c2ccc(F)c(Br)c2)CCSC1 ZINC000819129912 660247328 /nfs/dbraw/zinc/24/73/28/660247328.db2.gz DDSWXWAKPSZVNQ-CABCVRRESA-N 1 0 377.323 2.649 20 0 GFADRO CS(=O)(=O)c1ccc([C@H](O)C[NH2+]C[C@H]2SCCc3ccccc32)cc1 ZINC000819132738 660247633 /nfs/dbraw/zinc/24/76/33/660247633.db2.gz HUZCZFOOUXUTLL-RTBURBONSA-N 1 0 377.531 2.744 20 0 GFADRO O=C(C1CCCC1)N1CC[C@H]([NH2+]C[C@@H](O)c2ccc(Br)cc2)C1 ZINC000819163246 660248332 /nfs/dbraw/zinc/24/83/32/660248332.db2.gz IBDFNRUJIQOXEH-DLBZAZTESA-N 1 0 381.314 2.863 20 0 GFADRO CCNS(=O)(=O)c1ccc(C[NH2+]C[C@H](O)c2ccc(F)cc2Cl)cc1 ZINC000819167703 660248631 /nfs/dbraw/zinc/24/86/31/660248631.db2.gz GYJALZJYKBQMLL-KRWDZBQOSA-N 1 0 386.876 2.601 20 0 GFADRO C[C@H]([NH2+]C[C@@](C)(O)c1ccc(Br)cc1Cl)[C@H]1CN(C)CCO1 ZINC000819177392 660248888 /nfs/dbraw/zinc/24/88/88/660248888.db2.gz HCECJJMZJOPNPL-IUIKQTSFSA-N 1 0 391.737 2.619 20 0 GFADRO C[C@@](O)(C[NH2+]C[C@@]1(C)CCC(=O)N1)c1ccc(Br)cc1Cl ZINC000819360525 660256837 /nfs/dbraw/zinc/25/68/37/660256837.db2.gz CKWROYATANFJJW-HUUCEWRRSA-N 1 0 375.694 2.568 20 0 GFADRO O=C1[C@@H]([NH2+]C[C@@H](O)c2ccccc2)CCN1c1cccc(Br)c1 ZINC000819266142 660252923 /nfs/dbraw/zinc/25/29/23/660252923.db2.gz FAPGHCHWFSSYSQ-DLBZAZTESA-N 1 0 375.266 2.878 20 0 GFADRO CC(=O)N1CCC[C@H](C[NH2+]C[C@](C)(O)c2ccc(Br)cc2F)C1 ZINC000819276308 660253316 /nfs/dbraw/zinc/25/33/16/660253316.db2.gz HVDHSNPBXBZFBV-DYVFJYSZSA-N 1 0 387.293 2.644 20 0 GFADRO Cn1ccnc1[C@@H]1C[C@@H]([NH2+]C[C@H](O)c2cccc(Br)c2)CCO1 ZINC000819360957 660256887 /nfs/dbraw/zinc/25/68/87/660256887.db2.gz MOGCHGZNFIJOSK-JYJNAYRXSA-N 1 0 380.286 2.726 20 0 GFADRO COC(=O)N1CCC(C[NH2+]C[C@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000819308215 660254473 /nfs/dbraw/zinc/25/44/73/660254473.db2.gz ONLQPMYPWPEQPQ-AWEZNQCLSA-N 1 0 391.295 2.801 20 0 GFADRO CCC[C@@H](C)C(=O)NCC[NH2+]C[C@](C)(O)c1ccc(Br)cc1F ZINC000819329948 660255112 /nfs/dbraw/zinc/25/51/12/660255112.db2.gz MIJXDHYJLVBVDR-PXAZEXFGSA-N 1 0 389.309 2.938 20 0 GFADRO CS(=O)(=O)CC1CCC([NH2+]C[C@H](O)c2ccc(Br)cc2)CC1 ZINC000819336319 660255543 /nfs/dbraw/zinc/25/55/43/660255543.db2.gz FWTPGTRMCWRUCV-MOQPWLNLSA-N 1 0 390.343 2.676 20 0 GFADRO CS(=O)(=O)c1ccccc1C[NH2+]C[C@@H](O)c1cccc(Br)c1 ZINC000819368680 660257095 /nfs/dbraw/zinc/25/70/95/660257095.db2.gz PWVUKEDUDUHCJX-OAHLLOKOSA-N 1 0 384.295 2.676 20 0 GFADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2csc(Br)n2)[C@H](C)C1 ZINC000820035381 660278946 /nfs/dbraw/zinc/27/89/46/660278946.db2.gz LLTAGIPGTKEGHF-NEPJUHHUSA-N 1 0 390.347 2.772 20 0 GFADRO C[C@H]1CN(C(=O)c2nc(Br)c3ccccn32)CC[N@@H+](C2CC2)C1 ZINC000820874350 660309043 /nfs/dbraw/zinc/30/90/43/660309043.db2.gz NIJZJRRBHNPLFP-GFCCVEGCSA-N 1 0 377.286 2.653 20 0 GFADRO CC(C)c1ncc(Br)c(C(=O)N2CCC[C@]3(CC[N@H+](C)C3)C2)n1 ZINC000821026618 660313510 /nfs/dbraw/zinc/31/35/10/660313510.db2.gz YAVMNPOFPVOIJG-QGZVFWFLSA-N 1 0 381.318 2.920 20 0 GFADRO C[C@@H]1COCC[N@@H+]1C1CCN(C[C@H](O)c2cccc(Br)c2)CC1 ZINC000821278465 660319774 /nfs/dbraw/zinc/31/97/74/660319774.db2.gz BDWRUNPGHFLELP-KDOFPFPSSA-N 1 0 383.330 2.668 20 0 GFADRO Fc1cccc(C[N@H+](CCn2cnc(Br)n2)C[C@@H]2CCCO2)c1 ZINC000821362557 660323197 /nfs/dbraw/zinc/32/31/97/660323197.db2.gz LDZREAYEIQRTDK-HNNXBMFYSA-N 1 0 383.265 2.861 20 0 GFADRO Cn1nc(Br)cc1NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000821466110 660326640 /nfs/dbraw/zinc/32/66/40/660326640.db2.gz GAUHZYBFXKUDJB-CYBMUJFWSA-N 1 0 378.274 2.579 20 0 GFADRO C[NH+](C)CCOc1ccc(NC(=O)c2cc(=O)[nH]cc2Br)cc1F ZINC000822484424 660346447 /nfs/dbraw/zinc/34/64/47/660346447.db2.gz PXXKLYVVPKHTQZ-UHFFFAOYSA-N 1 0 398.232 2.882 20 0 GFADRO C[NH+](C)Cc1ccc(NC(=O)C2(n3cc(Br)cn3)CC2)c(F)c1 ZINC000822646589 660350822 /nfs/dbraw/zinc/35/08/22/660350822.db2.gz CZDITAOEBBAXPZ-UHFFFAOYSA-N 1 0 381.249 2.974 20 0 GFADRO CC(C)[N@@H+]1CCC[C@H](COC(=O)c2ccc(I)cn2)C1 ZINC000842829174 661356787 /nfs/dbraw/zinc/35/67/87/661356787.db2.gz IJMVPVQQWQSZAR-LBPRGKRZSA-N 1 0 388.249 2.963 20 0 GFADRO O=C(CCc1cccc(F)c1Br)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000822877739 660356407 /nfs/dbraw/zinc/35/64/07/660356407.db2.gz BDYHUXOFWRAGJC-ZIAGYGMSSA-N 1 0 385.277 2.500 20 0 GFADRO Cc1cc(C(=O)N2CCC(C[N@@H+](CCO)C(C)C)CC2)oc1Br ZINC000822897551 660357199 /nfs/dbraw/zinc/35/71/99/660357199.db2.gz RFQVZZPIEQLAAW-UHFFFAOYSA-N 1 0 387.318 2.905 20 0 GFADRO FC(F)Oc1cc(Br)ccc1-c1noc(C[C@H]2COCC[NH2+]2)n1 ZINC000822980148 660359296 /nfs/dbraw/zinc/35/92/96/660359296.db2.gz DLEGFEZTNIFWPP-VIFPVBQESA-N 1 0 390.184 2.631 20 0 GFADRO CC(C)[C@H]([NH2+]Cc1ccc(S(=O)(=O)N(C)C)s1)[C@@H](O)c1ccccc1 ZINC000823109822 660362204 /nfs/dbraw/zinc/36/22/04/660362204.db2.gz DUUFZHPLLTZJLH-ROUUACIJSA-N 1 0 382.551 2.846 20 0 GFADRO CC[NH+]1CCC(N2CCCN(C(=O)c3cc(C=O)sc3Cl)CC2)CC1 ZINC000823113721 660362215 /nfs/dbraw/zinc/36/22/15/660362215.db2.gz FBFNSZPSJJOPEH-UHFFFAOYSA-N 1 0 383.945 2.846 20 0 GFADRO Brc1cc(-c2noc([C@H]3C[NH2+]CCO3)n2)c(Br)s1 ZINC000823141150 660362859 /nfs/dbraw/zinc/36/28/59/660362859.db2.gz SGPSLYKNHRUEEV-ZCFIWIBFSA-N 1 0 395.076 2.984 20 0 GFADRO C[C@@H]1[NH2+]CC[C@H]1c1nc(-c2n[nH]c(-c3cccc(Br)c3)n2)no1 ZINC000823186244 660364454 /nfs/dbraw/zinc/36/44/54/660364454.db2.gz YXWJBHDWEPSBFT-GZMMTYOYSA-N 1 0 375.230 2.750 20 0 GFADRO OCCCC[NH+]1CCN(Cc2ccnc3c(Br)cccc23)CC1 ZINC000823447558 660372304 /nfs/dbraw/zinc/37/23/04/660372304.db2.gz KHZIUYDONDHJCB-UHFFFAOYSA-N 1 0 378.314 2.887 20 0 GFADRO O=C(C[C@H]1C(=O)Nc2c1cccc2Br)N[C@H]1C[C@@H]([NH+]2CCCC2)C1 ZINC000823652407 660377365 /nfs/dbraw/zinc/37/73/65/660377365.db2.gz JXZUHGVURMPTHU-MBNYWOFBSA-N 1 0 392.297 2.618 20 0 GFADRO CCNS(=O)(=O)CC[NH2+]Cc1ccccc1Sc1cccc(OC)c1 ZINC000823789652 660380035 /nfs/dbraw/zinc/38/00/35/660380035.db2.gz NXEOPHREEMDUHV-UHFFFAOYSA-N 1 0 380.535 2.875 20 0 GFADRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)c2cnn(Cc3ccccc3)c2Br)C1 ZINC000824273971 660388726 /nfs/dbraw/zinc/38/87/26/660388726.db2.gz CNTVTOIGPJVNJX-GASCZTMLSA-N 1 0 391.313 2.764 20 0 GFADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)Nc1cc(Cl)ccc1OC(F)F ZINC000824421312 660391520 /nfs/dbraw/zinc/39/15/20/660391520.db2.gz LZYMIQFHXQPZPD-VXGBXAGGSA-N 1 0 375.803 2.926 20 0 GFADRO O=c1ccc(Br)cn1CC[NH2+][C@@H]1CC[C@H]2SCCS[C@H]12 ZINC000824543176 660396396 /nfs/dbraw/zinc/39/63/96/660396396.db2.gz FTOADEGKEBLCMH-YRGRVCCFSA-N 1 0 375.357 2.580 20 0 GFADRO CCN(C(=O)c1cc(Br)cnc1Br)[C@@H]1CC[N@H+](C)C1 ZINC000824841248 660403348 /nfs/dbraw/zinc/40/33/48/660403348.db2.gz HYJTVMUMWLAOEH-SNVBAGLBSA-N 1 0 391.107 2.773 20 0 GFADRO Cc1cc(C(=O)NCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)oc1Br ZINC000824942339 660405775 /nfs/dbraw/zinc/40/57/75/660405775.db2.gz WGGHINZLRHZKEQ-HNNXBMFYSA-N 1 0 393.281 2.847 20 0 GFADRO COC(=O)N1CCC([NH2+]C[C@H](CO)Cc2ccc(C)c(Br)c2)CC1 ZINC000825073129 660409583 /nfs/dbraw/zinc/40/95/83/660409583.db2.gz RSAJQHKMXOJBIB-OAHLLOKOSA-N 1 0 399.329 2.729 20 0 GFADRO CCC1([NH+]2CCOCC2)CCN(C(=O)c2csc(Br)n2)CC1 ZINC000825040490 660408238 /nfs/dbraw/zinc/40/82/38/660408238.db2.gz KSJFIXSKXWTCKS-UHFFFAOYSA-N 1 0 388.331 2.623 20 0 GFADRO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000825196531 660414503 /nfs/dbraw/zinc/41/45/03/660414503.db2.gz IERTZJYRJDNBKC-PWSUYJOCSA-N 1 0 379.254 2.721 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)c1c(Br)nc2n1CCC2)c1ccc(F)cc1 ZINC000825368199 660423362 /nfs/dbraw/zinc/42/33/62/660423362.db2.gz PQOBTGYVIQRJBT-ZDUSSCGKSA-N 1 0 395.276 2.764 20 0 GFADRO COC(=O)[C@H](c1ccc(Br)s1)N(C)C(=O)C1(C[NH+](C)C)CC1 ZINC000825381425 660423821 /nfs/dbraw/zinc/42/38/21/660423821.db2.gz PIAMWKLOGDTKLJ-LBPRGKRZSA-N 1 0 389.315 2.525 20 0 GFADRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1cc(Br)n(C)n1 ZINC000826671499 660460710 /nfs/dbraw/zinc/46/07/10/660460710.db2.gz LXVDWASAAHNEAI-ZFWWWQNUSA-N 1 0 391.313 2.823 20 0 GFADRO C[C@]12CC[N@H+](CCCN3CCCC3=O)C[C@H]1C2(Br)Br ZINC000852335444 661861053 /nfs/dbraw/zinc/86/10/53/661861053.db2.gz GPRUWBDVOKQVAK-YPMHNXCESA-N 1 0 394.151 2.827 20 0 GFADRO Cc1cc([C@H]([NH3+])CC(=O)N2CCCN(CC(F)(F)F)CC2)cc(Cl)n1 ZINC000826984827 660474490 /nfs/dbraw/zinc/47/44/90/660474490.db2.gz SERJLCREGUXZEA-CYBMUJFWSA-N 1 0 378.826 2.530 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccn(-c4cccc(Br)c4)n3)CC[C@H]21 ZINC000827322468 660489056 /nfs/dbraw/zinc/48/90/56/660489056.db2.gz ZWXSLDMVDCSYOF-CXAGYDPISA-N 1 0 389.297 2.801 20 0 GFADRO Cn1c(C(=O)N2C[C@]3(C)C[NH+](C)C[C@@]3(C)C2)cc2cc(Br)cnc21 ZINC000827598243 660503961 /nfs/dbraw/zinc/50/39/61/660503961.db2.gz NNQMOCTYYGAKME-ROUUACIJSA-N 1 0 391.313 2.750 20 0 GFADRO CC(C)N([C@H]1CC[N@H+](Cc2ccccc2)C1)S(=O)(=O)c1c[nH]nc1Cl ZINC000828075844 660530610 /nfs/dbraw/zinc/53/06/10/660530610.db2.gz LXYLIZYPYKJLKI-HNNXBMFYSA-N 1 0 382.917 2.737 20 0 GFADRO Cc1ccc(Br)c(C(=O)Nc2cc(N3CC[NH+](C)CC3)ccn2)n1 ZINC000828140801 660537198 /nfs/dbraw/zinc/53/71/98/660537198.db2.gz FWSDFSSPBNFXDQ-UHFFFAOYSA-N 1 0 390.285 2.552 20 0 GFADRO [NH3+][C@@H](CC(=O)N1CCC(C(=O)Nc2ccccc2Br)CC1)C1CC1 ZINC000828257170 660541144 /nfs/dbraw/zinc/54/11/44/660541144.db2.gz SVWZZZKUZBINLY-HNNXBMFYSA-N 1 0 394.313 2.754 20 0 GFADRO C[C@@H](NC(=O)[C@]1(C)CC1(Br)Br)C(C)(C)C[NH+](C)C ZINC000828622414 660560024 /nfs/dbraw/zinc/56/00/24/660560024.db2.gz SDDDMZBUWTUSSH-SKDRFNHKSA-N 1 0 384.156 2.975 20 0 GFADRO CC[NH+](CC)[C@@H]1CCN(C(=O)[C@]2(C)CC2(Br)Br)C1 ZINC000829201458 660585182 /nfs/dbraw/zinc/58/51/82/660585182.db2.gz LXAAEZCHBHRJNQ-PWSUYJOCSA-N 1 0 382.140 2.825 20 0 GFADRO CC[NH+]1CCN(CC(C)(C)Nc2ccc(S(=O)(=O)C(F)F)cc2)CC1 ZINC000829493513 660594614 /nfs/dbraw/zinc/59/46/14/660594614.db2.gz WVNWUMRCULCKSG-UHFFFAOYSA-N 1 0 375.485 2.511 20 0 GFADRO C[NH+](C)CCn1ccc(NC(=O)[C@H]2[C@@H]3c4cccc(Br)c4C[C@H]23)n1 ZINC000624922127 652310791 /nfs/dbraw/zinc/31/07/91/652310791.db2.gz RKPXSUMACJHTGH-IAOVAPTHSA-N 1 0 389.297 2.732 20 0 GFADRO Cc1nc(Br)sc1C(=O)NCCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000829800270 660614418 /nfs/dbraw/zinc/61/44/18/660614418.db2.gz DLAHMDZNDIRGBZ-PHIMTYICSA-N 1 0 390.347 2.833 20 0 GFADRO C[NH+]1CCC(CCNS(=O)(=O)c2cnc(Cl)c(Br)c2)CC1 ZINC000830327662 660648830 /nfs/dbraw/zinc/64/88/30/660648830.db2.gz XCGMJUDNLVNOFT-UHFFFAOYSA-N 1 0 396.738 2.508 20 0 GFADRO CN(C)C(=O)O[C@H]1CC[N@H+](C[C@@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000830488527 660659088 /nfs/dbraw/zinc/65/90/88/660659088.db2.gz WVKUKJBIFZIXKF-NEPJUHHUSA-N 1 0 377.268 2.506 20 0 GFADRO [NH3+]CCCCCCNC(=O)N[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000831123119 660697345 /nfs/dbraw/zinc/69/73/45/660697345.db2.gz DHUXDDCCJBJUTO-OAHLLOKOSA-N 1 0 383.334 2.846 20 0 GFADRO CC(C)[N@@H+]1CCC[C@H](NS(=O)(=O)c2cnc(Cl)c(Br)c2)C1 ZINC000831125721 660697391 /nfs/dbraw/zinc/69/73/91/660697391.db2.gz IWNFKJDTKFUIMN-JTQLQIEISA-N 1 0 396.738 2.649 20 0 GFADRO [NH3+]CCCCCCNC(=O)N1CCN(c2cccc(Br)c2)CC1 ZINC000831286726 660707601 /nfs/dbraw/zinc/70/76/01/660707601.db2.gz GKCCOVVPHJRNAI-UHFFFAOYSA-N 1 0 383.334 2.800 20 0 GFADRO Cc1cc([C@@H]([NH3+])CC(=O)Nc2ccc(C)c(S(C)(=O)=O)c2)cc(Cl)n1 ZINC000831465196 660710873 /nfs/dbraw/zinc/71/08/73/660710873.db2.gz DGJBPVYTORJXGV-AWEZNQCLSA-N 1 0 381.885 2.784 20 0 GFADRO O=C(N1C[C@@H]2C[N@H+](C[C@H](O)c3ccc(Cl)cc3)CC[C@@H]2C1)C(F)(F)F ZINC000831572637 660713325 /nfs/dbraw/zinc/71/33/25/660713325.db2.gz WHKMKXNIZIPROS-IPYPFGDCSA-N 1 0 376.806 2.716 20 0 GFADRO CSC1(CNC(=O)Nc2ccn(C3CCSCC3)n2)CC[NH+](C)CC1 ZINC000603075603 653226442 /nfs/dbraw/zinc/22/64/42/653226442.db2.gz OVJCEYYQHPAKFJ-UHFFFAOYSA-N 1 0 383.587 2.900 20 0 GFADRO CC(C)c1nc(CC[NH2+]Cc2cn(C)nc2I)cs1 ZINC000894213853 663449315 /nfs/dbraw/zinc/44/93/15/663449315.db2.gz DHHURHQTOOFCGK-UHFFFAOYSA-N 1 0 390.294 2.937 20 0 GFADRO C[C@@H]1CN(C(=O)c2cn(C(C)(C)C)nc2Br)CC[N@@H+](C2CC2)C1 ZINC000832950204 660803967 /nfs/dbraw/zinc/80/39/67/660803967.db2.gz WNDPCEDCEMNCMF-LBPRGKRZSA-N 1 0 383.334 2.957 20 0 GFADRO [NH3+][C@@H](CNC(=O)c1cnn(-c2ncccc2Cl)c1C(F)(F)Cl)C1CC1 ZINC000834404684 660818969 /nfs/dbraw/zinc/81/89/69/660818969.db2.gz FDTLQAAPALQUTB-NSHDSACASA-N 1 0 390.221 2.676 20 0 GFADRO C[C@H]([NH2+]C[C@]1(N2CCOCC2)CCSC1)c1nc(Br)cs1 ZINC000834534039 660823646 /nfs/dbraw/zinc/82/36/46/660823646.db2.gz DGCXYEXFAUIWCX-SMDDNHRTSA-N 1 0 392.388 2.764 20 0 GFADRO Cc1cccc(N2CC[NH+](CCC(=O)NCc3ncc(Cl)s3)CC2)c1 ZINC000834558504 660824724 /nfs/dbraw/zinc/82/47/24/660824724.db2.gz XOJCJJABLKUIQU-UHFFFAOYSA-N 1 0 378.929 2.933 20 0 GFADRO O=S(=O)(NCC1CC[NH+](Cc2ccncc2)CC1)c1ccc(Cl)s1 ZINC000023000171 654535689 /nfs/dbraw/zinc/53/56/89/654535689.db2.gz OLIJEHUGOHGKKN-UHFFFAOYSA-N 1 0 385.942 2.987 20 0 GFADRO O=C(C1CC[NH+](C[C@H](O)c2cccc(Br)c2)CC1)N1CCCC1 ZINC000028965407 654573843 /nfs/dbraw/zinc/57/38/43/654573843.db2.gz HKONAADNNPSCBW-KRWDZBQOSA-N 1 0 381.314 2.817 20 0 GFADRO CC[C@@H]1CCC[N@H+](CC(=O)NCC(=O)Nc2ccccc2Br)C1 ZINC000030143282 654582807 /nfs/dbraw/zinc/58/28/07/654582807.db2.gz JHMJFYVGJUSNSX-CYBMUJFWSA-N 1 0 382.302 2.626 20 0 GFADRO CCNC(=O)[C@H](C)[NH2+]Cc1cc(Br)c(OC)c(Br)c1 ZINC000036325130 654612550 /nfs/dbraw/zinc/61/25/50/654612550.db2.gz XPDHXPOUAFQRMJ-QMMMGPOBSA-N 1 0 394.107 2.834 20 0 GFADRO CCCNC(=O)C1CC[NH+](C[C@@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000042761071 654643805 /nfs/dbraw/zinc/64/38/05/654643805.db2.gz HPGMOMJCNPPPSY-OAHLLOKOSA-N 1 0 389.323 2.971 20 0 GFADRO CC(C)[NH+]1CCC(NC(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)CC1 ZINC000043453158 654649594 /nfs/dbraw/zinc/64/95/94/654649594.db2.gz WUSHKUZDRFQKHY-UHFFFAOYSA-N 1 0 375.441 2.677 20 0 GFADRO C[N@H+](CCNC(=O)c1c(Cl)ccc(I)c1F)C1CC1 ZINC000906405604 663945396 /nfs/dbraw/zinc/94/53/96/663945396.db2.gz VHWVUZDVCMXFOE-UHFFFAOYSA-N 1 0 396.631 2.908 20 0 GFADRO CN(Cc1ccccc1Br)C(=O)NCCCC[NH+]1CCOCC1 ZINC000046750473 654684848 /nfs/dbraw/zinc/68/48/48/654684848.db2.gz NDLDAOMAUULCOG-UHFFFAOYSA-N 1 0 384.318 2.703 20 0 GFADRO CNS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cccc(C[NH+](C)C)c2)c1 ZINC000047460184 654695483 /nfs/dbraw/zinc/69/54/83/654695483.db2.gz KLEKXJOIJAGTFH-UHFFFAOYSA-N 1 0 381.885 2.562 20 0 GFADRO CCOC(=O)N[C@H]1CCC[N@H+](C[C@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000047796588 654700885 /nfs/dbraw/zinc/70/08/85/654700885.db2.gz QORCTUDGAIZKRB-STQMWFEESA-N 1 0 391.295 2.944 20 0 GFADRO O=C(CCCOc1cccc(Br)c1)NCCCC[NH+]1CCOCC1 ZINC000048285522 654704500 /nfs/dbraw/zinc/70/45/00/654704500.db2.gz QPNIARNEBBJJMU-UHFFFAOYSA-N 1 0 399.329 2.837 20 0 GFADRO C[NH+]1CCN(c2cc(CNC(=O)c3csc(Br)c3)ccn2)CC1 ZINC000048329038 654705007 /nfs/dbraw/zinc/70/50/07/654705007.db2.gz XBNZOIHPSJYOLJ-UHFFFAOYSA-N 1 0 395.326 2.587 20 0 GFADRO CC[NH+]1CCC(NC(=O)C(=O)Nc2c(C)cc(Br)cc2C)CC1 ZINC000048883115 654713413 /nfs/dbraw/zinc/71/34/13/654713413.db2.gz JEOSTLXMBOOIKU-UHFFFAOYSA-N 1 0 382.302 2.605 20 0 GFADRO C[C@H](CNC(=O)c1ccc(F)cc1I)C[NH+]1CCCC1 ZINC000049092078 654715015 /nfs/dbraw/zinc/71/50/15/654715015.db2.gz FXGVBRFCIAYQSA-LLVKDONJSA-N 1 0 390.240 2.892 20 0 GFADRO CSc1cc(C(=O)N2CCN(C(=O)C[NH+](C)C)CC2)c(Cl)cc1Cl ZINC000122174523 654730518 /nfs/dbraw/zinc/73/05/18/654730518.db2.gz GPMWDRPALMQHOZ-UHFFFAOYSA-N 1 0 390.336 2.561 20 0 GFADRO Cc1sc(Br)cc1S(=O)(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000122288931 654732329 /nfs/dbraw/zinc/73/23/29/654732329.db2.gz SFEBKBFNZCHMAG-NEPJUHHUSA-N 1 0 393.372 2.972 20 0 GFADRO C[C@H](NC(=O)CN1CC[NH+](CC2CC2)CC1)c1ccc(Br)cc1 ZINC000052164745 654733624 /nfs/dbraw/zinc/73/36/24/654733624.db2.gz ABFVYCDULRZUGY-AWEZNQCLSA-N 1 0 380.330 2.654 20 0 GFADRO Cc1ccc(O[C@H](C)C(=O)NCCCC[NH+]2CCOCC2)c(Br)c1 ZINC000053450624 654746848 /nfs/dbraw/zinc/74/68/48/654746848.db2.gz NSBLZJFAHSIZNH-OAHLLOKOSA-N 1 0 399.329 2.753 20 0 GFADRO Cc1nc(C)c(C[NH2+]CC(=O)N2CCN(c3cccc(Cl)c3)CC2)s1 ZINC000123729081 654761896 /nfs/dbraw/zinc/76/18/96/654761896.db2.gz JAUJIRJLTFFRLM-UHFFFAOYSA-N 1 0 378.929 2.852 20 0 GFADRO O=C(CC[N@H+]1CCCN(CC(F)(F)F)CC1)N1CCc2sccc2C1 ZINC000123971730 654767662 /nfs/dbraw/zinc/76/76/62/654767662.db2.gz LFLQIFDYRUFYDU-UHFFFAOYSA-N 1 0 375.460 2.593 20 0 GFADRO C[C@@H](Cn1cc(Br)cn1)[NH2+][C@@H](CO)Cc1c[nH]c2ccccc12 ZINC000124041758 654769656 /nfs/dbraw/zinc/76/96/56/654769656.db2.gz NTJUUDXGVDJQET-SWLSCSKDSA-N 1 0 377.286 2.709 20 0 GFADRO CN(CC[NH+]1CCCC1)C(=O)C(=O)Nc1ccc(C(F)(F)F)cc1Cl ZINC000124354153 654774975 /nfs/dbraw/zinc/77/49/75/654774975.db2.gz MXRAILFTANJOIK-UHFFFAOYSA-N 1 0 377.794 2.852 20 0 GFADRO CN1CCN(C)[C@H](C[NH2+]Cc2ccc(Br)c(Br)c2)C1 ZINC000124563020 654778560 /nfs/dbraw/zinc/77/85/60/654778560.db2.gz UOVKLIOPWVCNTM-GFCCVEGCSA-N 1 0 391.151 2.547 20 0 GFADRO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)c1c(Br)nc2n1CCCC2 ZINC000837587279 661006457 /nfs/dbraw/zinc/00/64/57/661006457.db2.gz GVAKPHHMKMSTHR-GFCCVEGCSA-N 1 0 383.334 2.832 20 0 GFADRO COc1cc([C@H](C)[NH2+]C[C@H](O)c2ccco2)ccc1S(=O)(=O)C(F)F ZINC000125203161 654789264 /nfs/dbraw/zinc/78/92/64/654789264.db2.gz QMHBDGPOBFPYHX-JQWIXIFHSA-N 1 0 375.393 2.669 20 0 GFADRO C[NH+]1CCC(NC(=O)[C@H](c2ccc(Br)cc2)N2CCCC2)CC1 ZINC000125565104 654798025 /nfs/dbraw/zinc/79/80/25/654798025.db2.gz OXTKBZCCGMMBJZ-KRWDZBQOSA-N 1 0 380.330 2.796 20 0 GFADRO C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)CNC(=O)c1ccsc1 ZINC000125594940 654798886 /nfs/dbraw/zinc/79/88/86/654798886.db2.gz ZISYBEFXXJMUDY-UHFFFAOYSA-N 1 0 379.913 2.722 20 0 GFADRO CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+][C@H]2CCN(CC(F)(F)F)C2)cc1 ZINC000125834536 654803470 /nfs/dbraw/zinc/80/34/70/654803470.db2.gz QAALPQSVGMIWFG-WFASDCNBSA-N 1 0 379.448 2.735 20 0 GFADRO O=S(=O)(c1cc(Br)ccc1F)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000060321426 654827800 /nfs/dbraw/zinc/82/78/00/654827800.db2.gz UOSSPTIBZJUOAA-ZDUSSCGKSA-N 1 0 391.306 2.837 20 0 GFADRO C[C@@H](CNC(=O)N(C)C[C@@H](O)c1ccccc1Br)[NH+]1CCCCC1 ZINC000837767248 661015407 /nfs/dbraw/zinc/01/54/07/661015407.db2.gz LTEPPZUIHYSMEN-WMLDXEAASA-N 1 0 398.345 2.998 20 0 GFADRO CC(C)C[C@H](NC(=O)Cc1ccc(Cl)cc1Cl)C(=O)NCC[NH+](C)C ZINC000127853909 654835871 /nfs/dbraw/zinc/83/58/71/654835871.db2.gz CWLLLIVXRIEXNP-INIZCTEOSA-N 1 0 388.339 2.745 20 0 GFADRO C[C@@H](CNC(=O)c1ccc(Cl)c(NS(C)(=O)=O)c1)[NH+]1CCC(C)CC1 ZINC000061432413 654839137 /nfs/dbraw/zinc/83/91/37/654839137.db2.gz SJFMFGCWOKLOEX-ZDUSSCGKSA-N 1 0 387.933 2.562 20 0 GFADRO O=C(NCC[NH+]1CCCCC1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000061982047 654843210 /nfs/dbraw/zinc/84/32/10/654843210.db2.gz KLOUVVURORRLRD-UHFFFAOYSA-N 1 0 377.794 2.899 20 0 GFADRO C[C@H](CC[NH+](C)C)NC(=O)NC[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000062503951 654845895 /nfs/dbraw/zinc/84/58/95/654845895.db2.gz MICAUUKMNGIBLN-HUUCEWRRSA-N 1 0 397.361 2.915 20 0 GFADRO COC(=O)NCC(=O)N(CCC[NH+](C)C)Cc1ccc(Cl)c(Cl)c1 ZINC000063118746 654848980 /nfs/dbraw/zinc/84/89/80/654848980.db2.gz AYKORVBXEQDUPO-UHFFFAOYSA-N 1 0 376.284 2.630 20 0 GFADRO C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@@H]1CCC(=O)NC1 ZINC000063118704 654848989 /nfs/dbraw/zinc/84/89/89/654848989.db2.gz OIOQKKNRJMUQRP-CQSZACIVSA-N 1 0 386.323 2.800 20 0 GFADRO C[NH+]1CCC(NC(=S)NNC(=O)c2cc3c(s2)CCCCCC3)CC1 ZINC000063144005 654849701 /nfs/dbraw/zinc/84/97/01/654849701.db2.gz IMTXHAGTWJVQIQ-UHFFFAOYSA-N 1 0 380.583 2.610 20 0 GFADRO Cc1ccc(NC(=S)NC2CC[NH+](C)CC2)cc1I ZINC000063143525 654849756 /nfs/dbraw/zinc/84/97/56/654849756.db2.gz OBXSDUSQGZOVKA-UHFFFAOYSA-N 1 0 389.306 2.980 20 0 GFADRO O=S(=O)(c1sccc1Br)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000063189939 654850268 /nfs/dbraw/zinc/85/02/68/654850268.db2.gz ASYSPASECSQVQJ-NWDGAFQWSA-N 1 0 379.345 2.806 20 0 GFADRO CC[NH+](CC)CCN(C(=O)CN1CCCC1=O)c1cccc(Br)c1 ZINC000063306934 654851557 /nfs/dbraw/zinc/85/15/57/654851557.db2.gz HCRGPKJMXXCWSF-UHFFFAOYSA-N 1 0 396.329 2.746 20 0 GFADRO CC[NH+](CC)CCCOC(=O)c1cccnc1-n1cc(Br)cn1 ZINC000837925857 661020208 /nfs/dbraw/zinc/02/02/08/661020208.db2.gz ALLBCKDQOCPBRF-UHFFFAOYSA-N 1 0 381.274 2.919 20 0 GFADRO CC(C)[N@@H+]1CC[C@H](CNC(=O)CCN2C(=S)N=NC2c2cccs2)C1 ZINC000063530199 654854089 /nfs/dbraw/zinc/85/40/89/654854089.db2.gz RUQSARCZMCULNZ-CYBMUJFWSA-N 1 0 379.555 2.532 20 0 GFADRO CCO[C@@H]1C[C@@H](O)C12CC[NH+](C[C@@H](O)c1ccc(Br)cc1)CC2 ZINC000266096522 654857056 /nfs/dbraw/zinc/85/70/56/654857056.db2.gz ZQIDASHBXZQTRC-BRWVUGGUSA-N 1 0 384.314 2.734 20 0 GFADRO C[C@H]1C[NH+](CCCNC(=O)NCc2cccc(Br)c2)C[C@H](C)O1 ZINC000063796985 654858580 /nfs/dbraw/zinc/85/85/80/654858580.db2.gz KLQFZXWHEKWUFF-KBPBESRZSA-N 1 0 384.318 2.748 20 0 GFADRO C[N@@H+]1CCC[C@H]2CN(S(=O)(=O)c3ccc(F)cc3Br)CC[C@@H]21 ZINC000129177008 654859170 /nfs/dbraw/zinc/85/91/70/654859170.db2.gz DSABMSFRIOZAKM-FZMZJTMJSA-N 1 0 391.306 2.693 20 0 GFADRO C[C@@H](Sc1nc2ccccc2s1)C(=O)NCCCN1CC[NH+](C)CC1 ZINC000129178483 654859410 /nfs/dbraw/zinc/85/94/10/654859410.db2.gz MDXATUJWNUQNMS-CQSZACIVSA-N 1 0 378.567 2.531 20 0 GFADRO Cc1cc(S(=O)(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)ccc1Br ZINC000129180447 654859418 /nfs/dbraw/zinc/85/94/18/654859418.db2.gz SFXKDSPQFLDLGZ-CJNGLKHVSA-N 1 0 387.343 2.862 20 0 GFADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)Cc1cc(Cl)ccc1Br ZINC000129181263 654859440 /nfs/dbraw/zinc/85/94/40/654859440.db2.gz LCXBYBDNLHOPSR-AWEZNQCLSA-N 1 0 389.721 2.872 20 0 GFADRO C[N@@H+]1CC[C@H]2[C@H](CCCN2CN2C(=O)c3cc(Cl)c(Cl)cc3C2=O)C1 ZINC000129210560 654860340 /nfs/dbraw/zinc/86/03/40/654860340.db2.gz AAIXMJSLJMTCPW-BZNIZROVSA-N 1 0 382.291 2.963 20 0 GFADRO C[C@H]([NH2+]C[C@H]1CCCN(S(C)(=O)=O)C1)c1ccc(Br)cc1 ZINC000129221036 654860971 /nfs/dbraw/zinc/86/09/71/654860971.db2.gz QWMIQKLWIYAMNB-QWHCGFSZSA-N 1 0 375.332 2.771 20 0 GFADRO OCC[N@H+](CCCOc1cccc(I)c1)CC1CC1 ZINC000064516000 654871188 /nfs/dbraw/zinc/87/11/88/654871188.db2.gz MUSHNLCLGFULOP-UHFFFAOYSA-N 1 0 375.250 2.764 20 0 GFADRO CCC[N@H+](C)C[C@H]1CCN(S(=O)(=O)N(C)Cc2c(F)cccc2Cl)C1 ZINC000266338741 654873397 /nfs/dbraw/zinc/87/33/97/654873397.db2.gz VCHMUCICOJQVIA-CQSZACIVSA-N 1 0 391.940 2.819 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)N1CCCN(c2nccs2)CC1)c1ccsc1 ZINC000064756605 654874863 /nfs/dbraw/zinc/87/48/63/654874863.db2.gz LWIRMVFCURVKIQ-HNNXBMFYSA-N 1 0 379.555 2.729 20 0 GFADRO CC[NH+]1CCC(N[C@H](C)C(=O)N(C)Cc2ccc(Br)cc2)CC1 ZINC000266499120 654882059 /nfs/dbraw/zinc/88/20/59/654882059.db2.gz AZLLJQUYPOAJJN-CQSZACIVSA-N 1 0 382.346 2.870 20 0 GFADRO C[NH+](C)[C@H]1CCCN(C(=O)c2ccc(S(=O)(=O)c3ccccc3)s2)C1 ZINC000130169128 654882149 /nfs/dbraw/zinc/88/21/49/654882149.db2.gz QHWPPPLPOSMVBH-AWEZNQCLSA-N 1 0 378.519 2.747 20 0 GFADRO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NC[C@@H](O)c1c(Cl)cccc1Cl ZINC000266555489 654884978 /nfs/dbraw/zinc/88/49/78/654884978.db2.gz IVTYTLOICIGUAU-WBVHZDCISA-N 1 0 389.323 2.936 20 0 GFADRO O=[N+]([O-])c1ccc(S(=O)(=O)NC2CC[NH+](CC3CCCCC3)CC2)s1 ZINC000065974176 654891880 /nfs/dbraw/zinc/89/18/80/654891880.db2.gz JDDQQNAYTHQJOB-UHFFFAOYSA-N 1 0 387.527 2.979 20 0 GFADRO O=C(NC1CC[NH+](Cc2ccncc2)CC1)c1ccc(Br)cc1O ZINC000066047365 654893624 /nfs/dbraw/zinc/89/36/24/654893624.db2.gz NYKZZEHOBBKMQD-UHFFFAOYSA-N 1 0 390.281 2.944 20 0 GFADRO CC[C@@H](C)[N@H+](C)CCNC(=O)C[C@H](NC(C)=O)c1ccc(Br)cc1 ZINC000066149865 654895949 /nfs/dbraw/zinc/89/59/49/654895949.db2.gz VPDWIKSWAJIEIU-DYVFJYSZSA-N 1 0 398.345 2.863 20 0 GFADRO C[NH+]1CCC(O)(CNC(=O)CSCc2ccc(Cl)cc2Cl)CC1 ZINC000267032078 654905793 /nfs/dbraw/zinc/90/57/93/654905793.db2.gz DXPHCFRWLUFLBR-UHFFFAOYSA-N 1 0 377.337 2.800 20 0 GFADRO O=C(COc1cc(Cl)cc(Cl)c1)NCCCC[N@H+]1CCC[C@@H]1CO ZINC000131689127 654913814 /nfs/dbraw/zinc/91/38/14/654913814.db2.gz CQDVTYOVBVNPRV-OAHLLOKOSA-N 1 0 375.296 2.725 20 0 GFADRO CCN1CC[NH+](CCCCNC(=O)CCc2ccc(Br)cc2)CC1 ZINC000267186677 654915903 /nfs/dbraw/zinc/91/59/03/654915903.db2.gz XXYQJARZHBURMR-UHFFFAOYSA-N 1 0 396.373 2.916 20 0 GFADRO C[NH+](C)C[C@H]1CCCCN1C(=O)c1ccc(F)cc1I ZINC000066947017 654923283 /nfs/dbraw/zinc/92/32/83/654923283.db2.gz PXYKIVZPKAQUFZ-GFCCVEGCSA-N 1 0 390.240 2.987 20 0 GFADRO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)CCCSc2ccc(Cl)cc2)C1 ZINC000131972873 654923499 /nfs/dbraw/zinc/92/34/99/654923499.db2.gz BAFAYIOVPHAFBZ-CQSZACIVSA-N 1 0 383.945 2.526 20 0 GFADRO C[N@@H+](Cc1cc(Br)ccc1F)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000267406291 654927218 /nfs/dbraw/zinc/92/72/18/654927218.db2.gz XPLGIKBCKJZVOU-LBPRGKRZSA-N 1 0 393.322 2.692 20 0 GFADRO Cc1cc(NC(=O)C(=O)N[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)ccc1Br ZINC000067398149 654937918 /nfs/dbraw/zinc/93/79/18/654937918.db2.gz UZJSCLVYVANYKH-JSGCOSHPSA-N 1 0 396.329 2.933 20 0 GFADRO C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)NC[C@@H]1CSCCS1 ZINC000132550729 654941229 /nfs/dbraw/zinc/94/12/29/654941229.db2.gz QBACHTJDUPIGDI-OAHLLOKOSA-N 1 0 389.537 2.887 20 0 GFADRO CC[NH+]1CCC(NC(=O)NC[C@H](O)COc2cccc(Cl)c2Cl)CC1 ZINC000067921271 654948237 /nfs/dbraw/zinc/94/82/37/654948237.db2.gz VWQKJYZKQLRXPZ-ZDUSSCGKSA-N 1 0 390.311 2.517 20 0 GFADRO C[C@@H]1CCC[N@H+](CC(=O)N(C)Cc2cc(Br)cs2)[C@@H]1CO ZINC000132912624 654949331 /nfs/dbraw/zinc/94/93/31/654949331.db2.gz VMIGINUIXVWMEZ-BXUZGUMPSA-N 1 0 375.332 2.562 20 0 GFADRO C[NH+](C)[C@H](CNc1ccc(S(=O)(=O)N2CCCC2)cn1)c1cccs1 ZINC000067949287 654950131 /nfs/dbraw/zinc/95/01/31/654950131.db2.gz CSZXTWUHTLJDFI-OAHLLOKOSA-N 1 0 380.539 2.642 20 0 GFADRO C[C@H]1C[C@@H](NC(=O)c2cc(F)ccc2I)C[N@@H+]1C1CC1 ZINC000267991738 654955270 /nfs/dbraw/zinc/95/52/70/654955270.db2.gz QHIGIXALZHRGGW-GXSJLCMTSA-N 1 0 388.224 2.785 20 0 GFADRO C[NH+](C)CC(C)(C)CNC(=O)[C@]12CCC(=O)N1c1cc(Cl)ccc1S2 ZINC000068375781 654960959 /nfs/dbraw/zinc/96/09/59/654960959.db2.gz WNTIDLPNQXVHRE-GOSISDBHSA-N 1 0 381.929 2.973 20 0 GFADRO CC[C@@H](C)[N@H+](C)CCC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1Cl ZINC000068450171 654962221 /nfs/dbraw/zinc/96/22/21/654962221.db2.gz VRTHIJRQWROMHM-GFCCVEGCSA-N 1 0 375.922 2.649 20 0 GFADRO O[C@H](C[NH2+]C1(c2cccc(Br)c2)CCCCC1)CN1CCOCC1 ZINC000133384822 654962592 /nfs/dbraw/zinc/96/25/92/654962592.db2.gz ZTFCCMLYXWSQHN-GOSISDBHSA-N 1 0 397.357 2.891 20 0 GFADRO C[NH+](C)C[C@H]1CCN(C(=O)c2ccc(S(=O)(=O)c3ccccc3)s2)C1 ZINC000133564212 654967583 /nfs/dbraw/zinc/96/75/83/654967583.db2.gz JBNCUEXFRUBPAT-CQSZACIVSA-N 1 0 378.519 2.605 20 0 GFADRO CC[NH+](CC)CCSCC(=O)N(C)Cc1cc(Br)cn1C ZINC000268365662 654968584 /nfs/dbraw/zinc/96/85/84/654968584.db2.gz VFIQSXXFZMEZCA-UHFFFAOYSA-N 1 0 376.364 2.821 20 0 GFADRO CN(C[C@H](O)c1ccccc1Br)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000838506257 661047759 /nfs/dbraw/zinc/04/77/59/661047759.db2.gz KCLJHPZJWVFJNG-ZQIUZPCESA-N 1 0 398.345 2.997 20 0 GFADRO CC(C)[NH+]1CCC(O)(CNC(=O)NCCc2ccccc2Br)CC1 ZINC000268519005 654976114 /nfs/dbraw/zinc/97/61/14/654976114.db2.gz XYNMTKAJGCTYNN-UHFFFAOYSA-N 1 0 398.345 2.526 20 0 GFADRO Cc1nn(C)c2ncc(C[NH2+][C@H](CO)c3cccc(Br)c3)cc12 ZINC000133888543 654976332 /nfs/dbraw/zinc/97/63/32/654976332.db2.gz YHTWAKRTBDTFPN-MRXNPFEDSA-N 1 0 375.270 2.862 20 0 GFADRO CCO[C@@H]1C[C@@]([NH3+])(C(=O)Nc2cccc(I)c2)C1(C)C ZINC000133889346 654976402 /nfs/dbraw/zinc/97/64/02/654976402.db2.gz SAJGEQYARIJSCS-IUODEOHRSA-N 1 0 388.249 2.762 20 0 GFADRO CCS(=O)(=O)N1CCC([NH2+][C@@H]2CCc3cc(Br)ccc32)CC1 ZINC000268746895 654985429 /nfs/dbraw/zinc/98/54/29/654985429.db2.gz FZHFGFZXWSTREH-MRXNPFEDSA-N 1 0 387.343 2.840 20 0 GFADRO O=C(CN1CCC[C@H](C[NH+]2CCOCC2)C1)Nc1c(Cl)cccc1Cl ZINC000069804977 654986483 /nfs/dbraw/zinc/98/64/83/654986483.db2.gz IMZFWODVYVCVLZ-CQSZACIVSA-N 1 0 386.323 2.976 20 0 GFADRO COC[C@](C)(O)C[NH2+]Cc1cc(Br)c(OC(F)F)c(OC)c1 ZINC000069912030 654988821 /nfs/dbraw/zinc/98/88/21/654988821.db2.gz YJLHYKNBJAKDBB-CQSZACIVSA-N 1 0 384.217 2.546 20 0 GFADRO C[C@@H](Cn1cc(Br)cn1)[NH2+]Cc1ccnc(OC2CCOCC2)c1 ZINC000268845103 654988923 /nfs/dbraw/zinc/98/89/23/654988923.db2.gz BBTIYUZVPFPIEX-ZDUSSCGKSA-N 1 0 395.301 2.777 20 0 GFADRO CCN(CC)C(=O)CCC[NH2+][C@@H](C)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000268844104 654988974 /nfs/dbraw/zinc/98/89/74/654988974.db2.gz UZJLMFZHERPCGR-ZDUSSCGKSA-N 1 0 376.469 2.982 20 0 GFADRO O=S(=O)(CC[NH2+]C1CCN(c2ccccn2)CC1)c1ccc(Cl)cc1 ZINC000268877747 654989782 /nfs/dbraw/zinc/98/97/82/654989782.db2.gz ZEPNCNQTKKBELE-UHFFFAOYSA-N 1 0 379.913 2.767 20 0 GFADRO [NH3+]CCCCCCC(=O)NCc1nnc2c(Cl)cc(C(F)(F)F)cn12 ZINC000269206286 655001705 /nfs/dbraw/zinc/00/17/05/655001705.db2.gz LRYILGWTDQIPPO-UHFFFAOYSA-N 1 0 377.798 2.927 20 0 GFADRO C[C@@H]1CCC[N@@H+]1C1CCN([C@H](C(N)=O)c2ccc(Br)cc2)CC1 ZINC000134720835 655001983 /nfs/dbraw/zinc/00/19/83/655001983.db2.gz NAINERYSPINNIZ-DYVFJYSZSA-N 1 0 380.330 2.924 20 0 GFADRO C[C@@H]1CN(C(=O)CCC[S@](=O)c2ccc(Br)cc2)CC[C@H]1[NH3+] ZINC000269285052 655004120 /nfs/dbraw/zinc/00/41/20/655004120.db2.gz RVYWAPDDEHWZHA-SIMDFCGZSA-N 1 0 387.343 2.533 20 0 GFADRO C[N@@H+]1CCCN(C(=O)c2ccc(Br)cc2Br)CC1 ZINC000092148643 655012757 /nfs/dbraw/zinc/01/27/57/655012757.db2.gz UKELGRUFBQKMFT-UHFFFAOYSA-N 1 0 376.092 2.989 20 0 GFADRO NC(=O)C[C@H]1CCCC[N@@H+]1Cc1cc(Br)c2c(c1)OCCCO2 ZINC000092588305 655014676 /nfs/dbraw/zinc/01/46/76/655014676.db2.gz HFAYCULGLNZTBA-CYBMUJFWSA-N 1 0 383.286 2.840 20 0 GFADRO COC(=O)[C@H]1CC[N@H+](Cc2ccnc(-c3ccc(Br)cc3)n2)C1 ZINC000269666116 655016336 /nfs/dbraw/zinc/01/63/36/655016336.db2.gz RZNPFYNNCSAHKZ-ZDUSSCGKSA-N 1 0 376.254 2.901 20 0 GFADRO C[N@@H+]1CCCC[C@@H]1CN1CCN(Cc2cc(O)ccc2Br)CC1 ZINC000093147920 655017523 /nfs/dbraw/zinc/01/75/23/655017523.db2.gz YBGGBBARNPVHDV-MRXNPFEDSA-N 1 0 382.346 2.757 20 0 GFADRO C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H](c1ccc(Br)cc1)N1CCCC1 ZINC000135538119 655019503 /nfs/dbraw/zinc/01/95/03/655019503.db2.gz LTGCFPIGOQHAPS-DLBZAZTESA-N 1 0 380.330 2.796 20 0 GFADRO COc1cc(C[N@H+](C)CCc2ncc(C)s2)cc(Cl)c1OCC(N)=O ZINC000093807181 655020551 /nfs/dbraw/zinc/02/05/51/655020551.db2.gz CSHVUHAUSQPVNK-UHFFFAOYSA-N 1 0 383.901 2.652 20 0 GFADRO C[NH+](C)CCCC1CCN(S(=O)(=O)c2c[nH]c3nccc(Cl)c23)CC1 ZINC000093930246 655025241 /nfs/dbraw/zinc/02/52/41/655025241.db2.gz HLAGJLMEUORZLC-UHFFFAOYSA-N 1 0 384.933 2.959 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@@H](NC(=O)c2ccn(-c3cccc(Br)c3)n2)C1 ZINC000094003993 655025751 /nfs/dbraw/zinc/02/57/51/655025751.db2.gz VIZWSTPFAWNFFK-ZIAGYGMSSA-N 1 0 377.286 2.847 20 0 GFADRO O=C([C@H]1CCn2cncc2C1)N1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000135997025 655026288 /nfs/dbraw/zinc/02/62/88/655026288.db2.gz SCANARKJTLTVEF-WMLDXEAASA-N 1 0 390.281 2.808 20 0 GFADRO C[C@@H]1CCC[C@@](CNC(=O)c2cnn3cc(Br)cnc23)([NH+](C)C)C1 ZINC000094036035 655026579 /nfs/dbraw/zinc/02/65/79/655026579.db2.gz MTSIWJPTKUQFEM-SJKOYZFVSA-N 1 0 394.317 2.732 20 0 GFADRO C[C@H](CNC(=O)c1ccc(Cl)c(Br)c1)C[NH+]1CCN(C)CC1 ZINC000270004396 655030733 /nfs/dbraw/zinc/03/07/33/655030733.db2.gz ZVCHYRULYMYHRS-GFCCVEGCSA-N 1 0 388.737 2.716 20 0 GFADRO Cc1cc(C[N@@H+]2CCC[C@H](C(=O)Nc3ccc(Br)cn3)C2)on1 ZINC000097503927 655035547 /nfs/dbraw/zinc/03/55/47/655035547.db2.gz LSCPLWPPGLFUJK-LBPRGKRZSA-N 1 0 379.258 2.991 20 0 GFADRO O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccc(F)cc1Br ZINC000097590607 655036573 /nfs/dbraw/zinc/03/65/73/655036573.db2.gz GXRUQSLMBQJVEG-LBPRGKRZSA-N 1 0 385.277 2.819 20 0 GFADRO Cc1cc(I)ccc1NC(=O)C[C@@H]1CSCC[NH2+]1 ZINC000097695994 655037572 /nfs/dbraw/zinc/03/75/72/655037572.db2.gz YJFJOSSTKYXXBW-LLVKDONJSA-N 1 0 376.263 2.633 20 0 GFADRO [NH3+][C@@H](CNC(=O)CCCCc1ccc(I)cc1)C1CC1 ZINC000137499759 655040693 /nfs/dbraw/zinc/04/06/93/655040693.db2.gz AJRKRJWPVOKUHB-HNNXBMFYSA-N 1 0 386.277 2.858 20 0 GFADRO C[NH+]1CCC(CNC(=O)[C@@]23CCC(=O)N2c2cc(Cl)ccc2S3)CC1 ZINC000101522430 655042279 /nfs/dbraw/zinc/04/22/79/655042279.db2.gz YUABFRHIJFOGNC-SFHVURJKSA-N 1 0 379.913 2.727 20 0 GFADRO Nn1c(SCC[NH+]2CCCCC2)nnc1-c1cccc(Br)c1 ZINC000151106738 655048184 /nfs/dbraw/zinc/04/81/84/655048184.db2.gz XAZPXLJXQNMEKA-UHFFFAOYSA-N 1 0 382.331 2.999 20 0 GFADRO CS[C@@H]1CN(C(=O)c2cc(Br)cnc2Cl)C[C@@H]1[NH+](C)C ZINC000270590118 655049894 /nfs/dbraw/zinc/04/98/94/655049894.db2.gz BMECZMAJBDXRGW-WDEREUQCSA-N 1 0 378.723 2.615 20 0 GFADRO O=S(=O)(c1c[nH]c2nccc(Cl)c12)N1CCC([NH+]2CCCCC2)CC1 ZINC000270704581 655053483 /nfs/dbraw/zinc/05/34/83/655053483.db2.gz GGURPQDEQWPMPO-UHFFFAOYSA-N 1 0 382.917 2.855 20 0 GFADRO CCC[N@@H+]1CCC[C@H]1C(=O)NCCCNC(=O)c1ccc(Br)cc1 ZINC000102366676 655054021 /nfs/dbraw/zinc/05/40/21/655054021.db2.gz HXYCXDIOUMBJHI-INIZCTEOSA-N 1 0 396.329 2.560 20 0 GFADRO COc1cc(C[NH2+]CCc2ccc(Cl)nc2)cc(Cl)c1OCC(N)=O ZINC000151899150 655055213 /nfs/dbraw/zinc/05/52/13/655055213.db2.gz QACCTIRNQZRQON-UHFFFAOYSA-N 1 0 384.263 2.593 20 0 GFADRO C[C@H](Sc1ccc(Cl)cc1)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000102788824 655061109 /nfs/dbraw/zinc/06/11/09/655061109.db2.gz ACQNGGUHJQZXCH-KBPBESRZSA-N 1 0 383.945 2.524 20 0 GFADRO CC[NH+](CC)CCN(C(=O)c1cccc(C)c1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000270982860 655062409 /nfs/dbraw/zinc/06/24/09/655062409.db2.gz BVCJDAIMOCBKTF-OAHLLOKOSA-N 1 0 386.945 2.620 20 0 GFADRO O=[N+]([O-])c1ccc([C@@H](O)[C@@H](CO)[NH2+]Cc2cccc(Br)c2)cc1 ZINC000153018839 655063742 /nfs/dbraw/zinc/06/37/42/655063742.db2.gz WLHBHSMPFJDHKZ-HZPDHXFCSA-N 1 0 381.226 2.541 20 0 GFADRO CC[NH+](CC)CCN(C(=O)c1cc(Cl)ccc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000271060158 655065292 /nfs/dbraw/zinc/06/52/92/655065292.db2.gz KDAXUMDQLBUIRE-MRXNPFEDSA-N 1 0 386.945 2.620 20 0 GFADRO C[NH+](C)CCCOC1CCN(C(=O)[C@@H](O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000271063223 655065678 /nfs/dbraw/zinc/06/56/78/655065678.db2.gz WLBYJEYFMDKJGH-KRWDZBQOSA-N 1 0 389.323 2.986 20 0 GFADRO CSc1cc2c(cc1C[N@H+](CCO)CCOCC(F)(F)F)OCCO2 ZINC000271205019 655070471 /nfs/dbraw/zinc/07/04/71/655070471.db2.gz VPXMRIYEONWXRT-UHFFFAOYSA-N 1 0 381.416 2.553 20 0 GFADRO COc1cc(C[NH2+][C@H](CO)Cc2ccc(F)cc2)cc(Br)c1O ZINC000271252213 655072890 /nfs/dbraw/zinc/07/28/90/655072890.db2.gz XFDRXGPMBSFYDB-AWEZNQCLSA-N 1 0 384.245 2.996 20 0 GFADRO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[NH+]1CCC(CCC(N)=O)CC1 ZINC000271260267 655073296 /nfs/dbraw/zinc/07/32/96/655073296.db2.gz UTKMJZOQSFLTRT-UHFFFAOYSA-N 1 0 386.323 2.929 20 0 GFADRO Cn1cc(N2CC[C@H]([NH2+][C@@H]3CCc4c3cc(Br)cc4F)C2=O)cn1 ZINC000271456850 655081968 /nfs/dbraw/zinc/08/19/68/655081968.db2.gz GWGIYQABYOOCOM-CVEARBPZSA-N 1 0 393.260 2.704 20 0 GFADRO COC(=O)CS(=O)(=O)Cc1ccc(C[NH2+][C@@H](C)CSC(C)(C)C)cc1 ZINC000271481865 655082843 /nfs/dbraw/zinc/08/28/43/655082843.db2.gz KHGVBCNTLJONLX-AWEZNQCLSA-N 1 0 387.567 2.784 20 0 GFADRO Cc1nn(CN2CCN(CC[N@@H+](C)Cc3ccccc3)CC2)c(=S)s1 ZINC000104653322 655083495 /nfs/dbraw/zinc/08/34/95/655083495.db2.gz YTLYEOCVCLTNCO-UHFFFAOYSA-N 1 0 377.583 2.690 20 0 GFADRO Cc1nc(Br)ccc1NC(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000271523189 655083885 /nfs/dbraw/zinc/08/38/85/655083885.db2.gz DBHHQWBZMCGGPJ-CABCVRRESA-N 1 0 397.317 2.652 20 0 GFADRO O=C1CCCN1C1CC[NH+](C[C@@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000104728505 655084687 /nfs/dbraw/zinc/08/46/87/655084687.db2.gz AHTXBUCKHYPAMP-CQSZACIVSA-N 1 0 387.307 2.820 20 0 GFADRO CSc1ccc(Cl)cc1NC(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000105020741 655088449 /nfs/dbraw/zinc/08/84/49/655088449.db2.gz KCYRHRZSOIPXAA-GFCCVEGCSA-N 1 0 384.933 2.771 20 0 GFADRO CCN(CC)S(=O)(=O)c1ccc(CC[NH2+]Cc2nc(C)ccc2O)s1 ZINC000105431308 655093037 /nfs/dbraw/zinc/09/30/37/655093037.db2.gz CRSPPVPSNUDEIK-UHFFFAOYSA-N 1 0 383.539 2.520 20 0 GFADRO Cc1c(C(=O)N2CC[C@H]([C@H](C)[NH3+])C2)cnn1-c1cccc(Br)c1 ZINC000272221849 655106172 /nfs/dbraw/zinc/10/61/72/655106172.db2.gz ISGQWTGZPHMZLM-AAEUAGOBSA-N 1 0 377.286 2.753 20 0 GFADRO Cc1c(I)cccc1C(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000272413292 655111877 /nfs/dbraw/zinc/11/18/77/655111877.db2.gz FWECNVMYJVTMTG-SWLSCSKDSA-N 1 0 384.261 2.766 20 0 GFADRO O=S(=O)(N[C@@H]1CC[N@@H+](C2CCCC2)C1)c1cccc(OC(F)(F)F)c1 ZINC000106891265 655113080 /nfs/dbraw/zinc/11/30/80/655113080.db2.gz PAAHEBHIIIPBLU-GFCCVEGCSA-N 1 0 378.416 2.880 20 0 GFADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)Nc3ccccc3Br)C2)CC1 ZINC000106937338 655115526 /nfs/dbraw/zinc/11/55/26/655115526.db2.gz JDFLWPKWSBRIFD-CQSZACIVSA-N 1 0 381.318 2.693 20 0 GFADRO COc1ccc(CCC(=O)N2CC[C@H]3CC[N@H+](C)C[C@H]32)cc1Br ZINC000272611121 655117234 /nfs/dbraw/zinc/11/72/34/655117234.db2.gz ZZNWPOAPJLPYEF-GDBMZVCRSA-N 1 0 381.314 2.943 20 0 GFADRO CC[C@@H]([NH2+]C1CCN(CCS(C)(=O)=O)CC1)c1cc(Cl)ccc1OC ZINC000159908790 655117609 /nfs/dbraw/zinc/11/76/09/655117609.db2.gz SAIYWYZCXJUNCF-QGZVFWFLSA-N 1 0 388.961 2.898 20 0 GFADRO CCC[C@H]1CN(C(=O)Nc2ccncc2Br)CC[N@@H+]1CCOC ZINC000272690742 655119327 /nfs/dbraw/zinc/11/93/27/655119327.db2.gz QHSKCKOSDQRJGC-ZDUSSCGKSA-N 1 0 385.306 2.809 20 0 GFADRO O=C(Nc1ccc(Br)cc1)C(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000107873191 655125699 /nfs/dbraw/zinc/12/56/99/655125699.db2.gz OPSMHLJAQRQFRW-INIZCTEOSA-N 1 0 394.313 2.865 20 0 GFADRO CN(C(=O)[C@@H]1CC(=O)N(c2ccccc2Br)C1)C1CCC([NH3+])CC1 ZINC000161415322 655127037 /nfs/dbraw/zinc/12/70/37/655127037.db2.gz NUAZJMZCNJXNCI-IYXRBSQSSA-N 1 0 394.313 2.530 20 0 GFADRO O=C(Nc1cccc(C(=O)NC[C@H]2CC[NH2+]C2)c1)c1ccc(Br)o1 ZINC000273036956 655128324 /nfs/dbraw/zinc/12/83/24/655128324.db2.gz OBYIIATYWUODNM-NSHDSACASA-N 1 0 392.253 2.634 20 0 GFADRO O=C(CCCCc1ccc(I)cc1)NC[C@H]1CC[NH2+]C1 ZINC000273051817 655128849 /nfs/dbraw/zinc/12/88/49/655128849.db2.gz RBYPPIQAIPXLKB-AWEZNQCLSA-N 1 0 386.277 2.730 20 0 GFADRO C[N@@H+]1CCCN(C(=O)C(=O)Nc2cccc(Cl)c2SC(F)F)CC1 ZINC000162059836 655129913 /nfs/dbraw/zinc/12/99/13/655129913.db2.gz NJPDGJQCKXOBIY-UHFFFAOYSA-N 1 0 377.844 2.757 20 0 GFADRO CC(=O)Nc1ccc(S(=O)(=O)NCC[C@@H](C)[NH+]2CCCCC2)cc1Cl ZINC000273102072 655130664 /nfs/dbraw/zinc/13/06/64/655130664.db2.gz OTYBAZOXZGWBFC-CYBMUJFWSA-N 1 0 387.933 2.841 20 0 GFADRO O=C(N[C@H]1CC[N@H+](CC2CC2)C1)c1csc(I)c1 ZINC000108299521 655130998 /nfs/dbraw/zinc/13/09/98/655130998.db2.gz NLDOEPKQCXEVRJ-NSHDSACASA-N 1 0 376.263 2.567 20 0 GFADRO Cc1nc(C(=O)NC[C@H]2CCC[N@@H+](C)C2)nn1-c1c(Cl)cccc1Cl ZINC000108330675 655131199 /nfs/dbraw/zinc/13/11/99/655131199.db2.gz FJZJOQGDQBVJPV-GFCCVEGCSA-N 1 0 382.295 2.954 20 0 GFADRO C[C@@H](c1ccc(NC(=O)c2cnn(C)c2Br)cc1)N1CCOCC1 ZINC000273275865 655137438 /nfs/dbraw/zinc/13/74/38/655137438.db2.gz VTGRDWRLHQZBPT-LBPRGKRZSA-N 1 0 393.285 2.828 20 0 GFADRO Cc1nc(Cc2nn(CN3CC[C@@H]4[C@H](CCC[N@H+]4C)C3)c(=S)o2)cs1 ZINC000164769430 655138317 /nfs/dbraw/zinc/13/83/17/655138317.db2.gz JHJCJXSPWFBJLA-UKRRQHHQSA-N 1 0 379.555 2.935 20 0 GFADRO C[C@H]([NH2+]C[C@@H](O)COc1ccc(Cl)cc1Br)c1cnn(C)c1 ZINC000273382541 655141456 /nfs/dbraw/zinc/14/14/56/655141456.db2.gz NAGQSURTIBHGMF-GXFFZTMASA-N 1 0 388.693 2.927 20 0 GFADRO CC[NH+]1CCN(CCCNC(=O)[C@@H]2C[C@H]2c2cccc(Br)c2)CC1 ZINC000109570161 655148841 /nfs/dbraw/zinc/14/88/41/655148841.db2.gz GIBSZZOBJDIKTA-ZWKOTPCHSA-N 1 0 394.357 2.696 20 0 GFADRO C[N@@H+]1CCCC[C@@H]1CN1CCN(C[C@H](O)c2ccc(Br)cc2)CC1 ZINC000109754906 655151337 /nfs/dbraw/zinc/15/13/37/655151337.db2.gz KLXWNKLILVOMEE-MOPGFXCFSA-N 1 0 396.373 2.584 20 0 GFADRO CC[NH+]1CCN(CCCNC(=O)[C@H]2C[C@H]2c2ccc(Br)cc2)CC1 ZINC000109827651 655152853 /nfs/dbraw/zinc/15/28/53/655152853.db2.gz IXNRBXWMOBCMNF-ROUUACIJSA-N 1 0 394.357 2.696 20 0 GFADRO O=S(=O)(C(F)F)N1CCC(C[NH2+]Cc2cccc(OC(F)F)c2)CC1 ZINC000171841638 655154452 /nfs/dbraw/zinc/15/44/52/655154452.db2.gz JECOCDNBZFRTJN-UHFFFAOYSA-N 1 0 384.395 2.642 20 0 GFADRO CC[NH+](CC)CC[C@H](CO)NC(=O)Nc1ccc(SC(F)(F)F)nc1 ZINC000839178167 661074883 /nfs/dbraw/zinc/07/48/83/661074883.db2.gz ZPUSNHOYUHKTMX-GFCCVEGCSA-N 1 0 380.436 2.908 20 0 GFADRO O[C@H](C[NH2+]Cc1sc(Sc2ccccc2)nc1Cl)Cn1ccnn1 ZINC000839178820 661075019 /nfs/dbraw/zinc/07/50/19/661075019.db2.gz IFJTYDCBFNYTIQ-LLVKDONJSA-N 1 0 381.914 2.690 20 0 GFADRO Ic1cccc(-c2nc([C@H]3C[N@@H+]4CCC[C@H]4CO3)no2)c1 ZINC000273864723 655161401 /nfs/dbraw/zinc/16/14/01/655161401.db2.gz DFRCZYWNJAZZAR-QWHCGFSZSA-N 1 0 397.216 2.877 20 0 GFADRO C[C@H]([NH2+]C[C@@H]1COC2(CCOCC2)O1)c1cc(Br)ncc1F ZINC000273880210 655162205 /nfs/dbraw/zinc/16/22/05/655162205.db2.gz QUVAOQNQWAWAJT-WDEREUQCSA-N 1 0 375.238 2.556 20 0 GFADRO COc1ccc(Br)cc1CC(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000173147263 655163415 /nfs/dbraw/zinc/16/34/15/655163415.db2.gz WYCDERKAZZMJQJ-UHFFFAOYSA-N 1 0 381.314 2.991 20 0 GFADRO COc1ccc(Br)cc1S(=O)(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000173270607 655166271 /nfs/dbraw/zinc/16/62/71/655166271.db2.gz MCSBZYPEEHWKGG-YPMHNXCESA-N 1 0 391.331 2.561 20 0 GFADRO CS[C@H]1CN(CC(=O)Nc2cccc3c2N=S=N3)C[C@H]1[NH+]1CCCC1 ZINC000273977310 655167020 /nfs/dbraw/zinc/16/70/20/655167020.db2.gz HHFJUSBQUNGUGF-CABCVRRESA-N 1 0 377.539 2.863 20 0 GFADRO C[NH+](C)[C@@H]1CCCN(CC(=O)Nc2c(F)cc(F)cc2Br)C1 ZINC000111248560 655167323 /nfs/dbraw/zinc/16/73/23/655167323.db2.gz XPPXCLXHFZENKU-LLVKDONJSA-N 1 0 376.245 2.692 20 0 GFADRO C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[NH+]1CCC([C@H](C)O)CC1 ZINC000111286955 655167992 /nfs/dbraw/zinc/16/79/92/655167992.db2.gz LQVKSNJDXSMWFD-KGLIPLIRSA-N 1 0 383.330 2.889 20 0 GFADRO CC[C@H]([NH3+])CNS(=O)(=O)c1c(Cl)cc(Br)cc1Cl ZINC000111304587 655168333 /nfs/dbraw/zinc/16/83/33/655168333.db2.gz LLNOHKWLXOLTCZ-ZETCQYMHSA-N 1 0 376.103 2.772 20 0 GFADRO C[C@H](C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1)[N@H+](C)CC1CCC1 ZINC000111297526 655168371 /nfs/dbraw/zinc/16/83/71/655168371.db2.gz KPOOUKPEMUSMPF-GFCCVEGCSA-N 1 0 387.933 2.649 20 0 GFADRO C[NH+](C)CCC(=O)Nc1ccc(NC(=O)c2ccc(Br)nc2)cc1 ZINC000173349114 655169244 /nfs/dbraw/zinc/16/92/44/655169244.db2.gz RYRJEHUTFOVVFF-UHFFFAOYSA-N 1 0 391.269 2.987 20 0 GFADRO COc1c(C[NH2+][C@H]2CCN(c3cccc(Br)c3)C2)c(C)nn1C ZINC000274053365 655170967 /nfs/dbraw/zinc/17/09/67/655170967.db2.gz LOERPHFCQIWZHU-AWEZNQCLSA-N 1 0 379.302 2.868 20 0 GFADRO CS[C@@H]1CN([C@H](C)C(=O)N2CCc3sccc3C2)C[C@H]1[NH+]1CCCC1 ZINC000274093357 655172737 /nfs/dbraw/zinc/17/27/37/655172737.db2.gz RYJQVKVEPMOELN-QGPMSJSTSA-N 1 0 379.595 2.533 20 0 GFADRO C[NH+](C)[C@H]1CCCN(Cc2noc(Cc3ccc(Br)cc3)n2)C1 ZINC000111689223 655176377 /nfs/dbraw/zinc/17/63/77/655176377.db2.gz CPBXMICIHIDHBL-HNNXBMFYSA-N 1 0 379.302 2.949 20 0 GFADRO C[NH+](C)CCN1CCC(NC(=O)Nc2cc(Br)ccc2F)CC1 ZINC000111772991 655177210 /nfs/dbraw/zinc/17/72/10/655177210.db2.gz HBIROPGJIYMUPK-UHFFFAOYSA-N 1 0 387.297 2.736 20 0 GFADRO COCCOC[C@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccc(Br)cc2)C1 ZINC000173726325 655177901 /nfs/dbraw/zinc/17/79/01/655177901.db2.gz FOGVDPIFSBPJPV-KGLIPLIRSA-N 1 0 385.302 2.761 20 0 GFADRO COCCOC[C@@H]1CC[N@H+](CCC(=O)Nc2ccccc2Br)C1 ZINC000173734970 655178707 /nfs/dbraw/zinc/17/87/07/655178707.db2.gz XWTGZNTWAKFWLX-CQSZACIVSA-N 1 0 385.302 2.763 20 0 GFADRO O=C(c1cc(-c2ccc(Br)cc2)n[nH]1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000274208352 655179322 /nfs/dbraw/zinc/17/93/22/655179322.db2.gz VYWIKJQGBKLGLY-QGZVFWFLSA-N 1 0 375.270 2.665 20 0 GFADRO Cc1ccc(NC(=O)c2c[nH]c(=O)c(Br)c2)c(OCC[NH+](C)C)c1 ZINC000173867085 655182918 /nfs/dbraw/zinc/18/29/18/655182918.db2.gz XFGXKTUZJGRZPA-UHFFFAOYSA-N 1 0 394.269 2.639 20 0 GFADRO C[NH+](C)CCn1ccc(NC(=O)N2CCc3c(Br)cccc3C2)n1 ZINC000173939117 655186880 /nfs/dbraw/zinc/18/68/80/655186880.db2.gz HCERCOZUGAGAAH-UHFFFAOYSA-N 1 0 392.301 2.797 20 0 GFADRO CN(C)C(=O)[C@@H]1CC[N@H+](C[C@@](C)(O)c2ccc(Br)cc2Cl)C1 ZINC000839636393 661097468 /nfs/dbraw/zinc/09/74/68/661097468.db2.gz QSNAGYYJVWQDTD-BDJLRTHQSA-N 1 0 389.721 2.720 20 0 GFADRO COC(=O)c1cc(S(=O)(=O)Nc2cc[nH+]c(C)c2)ccc1Br ZINC000112496274 655192577 /nfs/dbraw/zinc/19/25/77/655192577.db2.gz IBLKRCWFLLXNDL-UHFFFAOYSA-N 1 0 385.239 2.740 20 0 GFADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)N1Cc2cccc(Br)c2C1 ZINC000274555689 655192990 /nfs/dbraw/zinc/19/29/90/655192990.db2.gz JHZIDDMNPTZUEY-CQSZACIVSA-N 1 0 395.345 2.500 20 0 GFADRO C[N@@H+](C[C@H](O)c1cccc(Br)c1)C[C@H](O)COc1ccc(F)cc1 ZINC000839637694 661097648 /nfs/dbraw/zinc/09/76/48/661097648.db2.gz XXQISALLQRSZIX-WMZOPIPTSA-N 1 0 398.272 2.993 20 0 GFADRO NC(=O)[C@@]1(c2ccccc2)CC[N@H+](C[C@@H](O)c2ccccc2Br)C1 ZINC000839640350 661098099 /nfs/dbraw/zinc/09/80/99/661098099.db2.gz JVLAOFSNQWQCOM-MJGOQNOKSA-N 1 0 389.293 2.612 20 0 GFADRO CC[NH+]1CCN([C@H](C)CNC(=O)c2cc3cc(Br)ccc3[nH]2)CC1 ZINC000112916935 655199492 /nfs/dbraw/zinc/19/94/92/655199492.db2.gz ITMNWGVFTMORKK-CYBMUJFWSA-N 1 0 393.329 2.686 20 0 GFADRO O=C1CCCN1[C@H]1CCC[N@@H+](C[C@@H](O)c2cccc(Br)c2)CC1 ZINC000839666616 661099177 /nfs/dbraw/zinc/09/91/77/661099177.db2.gz PGZBQDDAEABNKK-DLBZAZTESA-N 1 0 381.314 2.959 20 0 GFADRO CS[C@@H]1CN(S(=O)(=O)c2cnc(Cl)c(Cl)c2)C[C@@H]1[NH+]1CCCC1 ZINC000274781768 655201242 /nfs/dbraw/zinc/20/12/42/655201242.db2.gz KNQRMCIIIODNBR-QWHCGFSZSA-N 1 0 396.365 2.589 20 0 GFADRO Cc1cc(Br)cc(NC(=O)C(=O)NCC2(C)CC[NH+](C)CC2)c1 ZINC000274985537 655210240 /nfs/dbraw/zinc/21/02/40/655210240.db2.gz LGPOVZDTQQBPER-UHFFFAOYSA-N 1 0 382.302 2.544 20 0 GFADRO O=C1C[C@@H]([NH2+]Cc2cc(Br)ccc2OC(F)F)CN1C1CC1 ZINC000174934155 655210689 /nfs/dbraw/zinc/21/06/89/655210689.db2.gz ICWXHNYNJXFVRX-LLVKDONJSA-N 1 0 375.213 2.903 20 0 GFADRO CCOC[C@@H](O)C[NH+]1CCN([C@H](CC)c2ccc(Br)cc2)CC1 ZINC000113502586 655211364 /nfs/dbraw/zinc/21/13/64/655211364.db2.gz IDRFLLCVZIBOIR-ZWKOTPCHSA-N 1 0 385.346 2.915 20 0 GFADRO Cc1nc(NC(=O)NCC2([NH+]3CCCC3)CCOCC2)ccc1Br ZINC000275029861 655212368 /nfs/dbraw/zinc/21/23/68/655212368.db2.gz VVJHQQJFXSZPQF-UHFFFAOYSA-N 1 0 397.317 2.919 20 0 GFADRO CS[C@H]1CN(C(=O)c2[nH]nc(C3CC3)c2Br)C[C@@H]1[NH+]1CCCC1 ZINC000275081990 655215620 /nfs/dbraw/zinc/21/56/20/655215620.db2.gz FPKPKMRPZSANMJ-RYUDHWBXSA-N 1 0 399.358 2.701 20 0 GFADRO CSC[C@@H]1CCC[N@@H+]1CCC(=O)Nc1sc2c(c1C(N)=O)CCCC2 ZINC000839508069 661088926 /nfs/dbraw/zinc/08/89/26/661088926.db2.gz OQAVJJDDTBSBCU-LBPRGKRZSA-N 1 0 381.567 2.882 20 0 GFADRO C[NH+](C)C1(CNC(=O)N[C@@H]2C[C@H]2c2ccccc2Br)CCOCC1 ZINC000114027097 655217443 /nfs/dbraw/zinc/21/74/43/655217443.db2.gz FBHMVOARXMJQRK-GOEBONIOSA-N 1 0 396.329 2.715 20 0 GFADRO COc1cc(S(=O)(=O)NCC[N@H+](C)C2CCCC2)ccc1Br ZINC000175272216 655217554 /nfs/dbraw/zinc/21/75/54/655217554.db2.gz FMXBNWNOCSAUHB-UHFFFAOYSA-N 1 0 391.331 2.610 20 0 GFADRO C[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)C1 ZINC000114398888 655223286 /nfs/dbraw/zinc/22/32/86/655223286.db2.gz HHRXUVUMRLTHFE-GXTWGEPZSA-N 1 0 384.307 2.756 20 0 GFADRO O=C(/C=C/c1ccc(Br)s1)N1CC[NH+](C2CCOCC2)CC1 ZINC000175845509 655228413 /nfs/dbraw/zinc/22/84/13/655228413.db2.gz BETXAOKCCSRPMJ-DUXPYHPUSA-N 1 0 385.327 2.847 20 0 GFADRO C[NH+](C)C[C@H]1CCN(C(=O)N[C@@H]2CCOc3ccc(Br)cc32)C1 ZINC000275344932 655230787 /nfs/dbraw/zinc/23/07/87/655230787.db2.gz VOPWQKJGAXUHCN-IUODEOHRSA-N 1 0 382.302 2.866 20 0 GFADRO CN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(Br)c(Cl)c1Cl ZINC000275379430 655232852 /nfs/dbraw/zinc/23/28/52/655232852.db2.gz CREXBLHZWVAFSK-UHFFFAOYSA-N 1 0 397.100 2.714 20 0 GFADRO O=C(NC1CC1)C(=O)N(CC[NH+]1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC000115349463 655235862 /nfs/dbraw/zinc/23/58/62/655235862.db2.gz PSPNUDUUPATACR-UHFFFAOYSA-N 1 0 384.307 2.696 20 0 GFADRO Cc1cc(Br)c(NC(=O)NC[C@@H]2C[N@@H+](C)CCN2C)cc1Cl ZINC000275574441 655242716 /nfs/dbraw/zinc/24/27/16/655242716.db2.gz DZLVGJLCQIDXDA-LLVKDONJSA-N 1 0 389.725 2.778 20 0 GFADRO COc1cc(C[NH2+][C@H]2CCCO[C@@H]2c2cnn(C)c2)cc(Br)c1O ZINC000275646410 655245399 /nfs/dbraw/zinc/24/53/99/655245399.db2.gz UCHNSWJOCDDDFY-WMLDXEAASA-N 1 0 396.285 2.907 20 0 GFADRO C[NH+](C)CC[C@@H](NC(=O)CNC(=O)c1cccc(Br)c1)C(C)(C)C ZINC000116466972 655248393 /nfs/dbraw/zinc/24/83/93/655248393.db2.gz HNHVGLOGVVNWAU-OAHLLOKOSA-N 1 0 398.345 2.662 20 0 GFADRO C[NH+](C)C[C@@H]1CCN(C(=O)c2ccc(I)c(Cl)c2)C1 ZINC000176512276 655248699 /nfs/dbraw/zinc/24/86/99/655248699.db2.gz WHHBXJZTGUCZHU-JTQLQIEISA-N 1 0 392.668 2.968 20 0 GFADRO Cc1csc(=O)n1CCC(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1 ZINC000116816724 655254208 /nfs/dbraw/zinc/25/42/08/655254208.db2.gz IIUGJGZKBMFTTI-UHFFFAOYSA-N 1 0 383.901 2.841 20 0 GFADRO Cc1ccc(NC(=O)C(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)cc1Br ZINC000275893036 655254828 /nfs/dbraw/zinc/25/48/28/655254828.db2.gz QAYBFYKZCFFKAW-CYBMUJFWSA-N 1 0 396.329 2.885 20 0 GFADRO COCCOC1CC[NH+](C[C@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000116886301 655255723 /nfs/dbraw/zinc/25/57/23/655255723.db2.gz CIHHJBQJQUVNHC-AWEZNQCLSA-N 1 0 378.296 2.861 20 0 GFADRO C[NH+](C)C1(CNC(=O)CNC(=O)c2sc3ccccc3c2Cl)CCC1 ZINC000276039582 655259877 /nfs/dbraw/zinc/25/98/77/655259877.db2.gz SMKLHONMIORZBJ-UHFFFAOYSA-N 1 0 379.913 2.885 20 0 GFADRO Cc1ccsc1-c1nn(CN2CC[NH+](C3CCOCC3)CC2)c(=S)o1 ZINC000177172070 655270278 /nfs/dbraw/zinc/27/02/78/655270278.db2.gz WGKKNZJFGLCPHW-UHFFFAOYSA-N 1 0 380.539 2.997 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccccc1SC(F)(F)F ZINC000118096250 655271627 /nfs/dbraw/zinc/27/16/27/655271627.db2.gz KCARFPISERCCBG-NSHDSACASA-N 1 0 375.416 2.838 20 0 GFADRO O=C(CC[N@H+]1CC[C@](O)(C(F)(F)F)C1)Nc1cccc(Br)c1 ZINC000177271339 655272317 /nfs/dbraw/zinc/27/23/17/655272317.db2.gz YMIMILCUAWNUQK-CYBMUJFWSA-N 1 0 381.192 2.777 20 0 GFADRO CCC[NH+]1CCC(CNC(=O)c2cc(S(=O)(=O)CC)ccc2Cl)CC1 ZINC000118324702 655274739 /nfs/dbraw/zinc/27/47/39/655274739.db2.gz SQEOUKHJJWFKTQ-UHFFFAOYSA-N 1 0 386.945 2.985 20 0 GFADRO CCS(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)c1 ZINC000118322582 655274786 /nfs/dbraw/zinc/27/47/86/655274786.db2.gz RDQWDRBPXLOQIN-AWEZNQCLSA-N 1 0 386.945 2.984 20 0 GFADRO CC(C)(O)C[NH+]1CCN(C(=O)N[C@@H]2CCSc3ccc(Cl)cc32)CC1 ZINC000177422812 655276137 /nfs/dbraw/zinc/27/61/37/655276137.db2.gz QIXYVHRAGHSJNQ-OAHLLOKOSA-N 1 0 383.945 2.975 20 0 GFADRO Cc1csc(C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@H]2C)c1I ZINC000276523177 655278230 /nfs/dbraw/zinc/27/82/30/655278230.db2.gz MKWLHFSEXAOWLW-LDYMZIIASA-N 1 0 390.290 2.874 20 0 GFADRO Cc1ccc(NC(=O)C(=O)NC[C@H](C)C[NH+]2CCCCC2)cc1Br ZINC000118896233 655283047 /nfs/dbraw/zinc/28/30/47/655283047.db2.gz QIZVMWXNUWOHKD-ZDUSSCGKSA-N 1 0 396.329 2.934 20 0 GFADRO COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000276865955 655290996 /nfs/dbraw/zinc/29/09/96/655290996.db2.gz XSFOWEYCCKVSGA-OCCSQVGLSA-N 1 0 386.279 2.684 20 0 GFADRO CO[C@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1ccccc1I ZINC000276926886 655293460 /nfs/dbraw/zinc/29/34/60/655293460.db2.gz IBECBPPPHNAYAB-KBPBESRZSA-N 1 0 388.249 2.777 20 0 GFADRO Cc1cc(NC(=O)C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)ccc1Br ZINC000178018216 655295851 /nfs/dbraw/zinc/29/58/51/655295851.db2.gz WTOPELHIHXWBCD-GXTWGEPZSA-N 1 0 382.302 2.685 20 0 GFADRO C[C@H](Cn1cc(Br)cn1)[NH2+][C@H]1CCCN(c2ccccc2)C1=O ZINC000178251299 655300142 /nfs/dbraw/zinc/30/01/42/655300142.db2.gz IEYBHSVWFYLAOP-CJNGLKHVSA-N 1 0 377.286 2.819 20 0 GFADRO O=C(Cc1ccccc1I)NC1CC[NH+](CC2CC2)CC1 ZINC000178253283 655300333 /nfs/dbraw/zinc/30/03/33/655300333.db2.gz AFAUGLHQTMASOY-UHFFFAOYSA-N 1 0 398.288 2.824 20 0 GFADRO C[C@@H]([NH2+]CCC1CCCC1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000178508858 655304132 /nfs/dbraw/zinc/30/41/32/655304132.db2.gz LGJLFFVHZLFRGS-CQSZACIVSA-N 1 0 388.555 2.643 20 0 GFADRO O=C(Nc1cc(F)ccc1Br)C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000119456292 655304343 /nfs/dbraw/zinc/30/43/43/655304343.db2.gz BTZKJIJJEZWHLF-GFCCVEGCSA-N 1 0 398.276 2.660 20 0 GFADRO C[C@@H]1C[NH+](CCCNC(=O)c2ccc(C(F)(F)F)nc2Cl)C[C@@H](C)O1 ZINC000178536036 655304407 /nfs/dbraw/zinc/30/44/07/655304407.db2.gz CPYQJTVWBYFCER-GHMZBOCLSA-N 1 0 379.810 2.983 20 0 GFADRO C[C@@H]([NH3+])CCNC(=O)Cc1ccc(NC(=O)c2ccc(Br)o2)cc1 ZINC000178665443 655307645 /nfs/dbraw/zinc/30/76/45/655307645.db2.gz HPXYUXJXCMZJJV-LLVKDONJSA-N 1 0 394.269 2.690 20 0 GFADRO CC1CCN(C(=[NH2+])NCc2ccc(Br)cc2N2CCOCC2)CC1 ZINC000178995620 655311056 /nfs/dbraw/zinc/31/10/56/655311056.db2.gz QJBQZWASGMAIPU-UHFFFAOYSA-N 1 0 395.345 2.832 20 0 GFADRO Cc1c(Br)cc(C(=O)NCCCC[N@H+]2CCC[C@H](C)C2)c(=O)n1C ZINC000277381059 655315986 /nfs/dbraw/zinc/31/59/86/655315986.db2.gz IKMXROGDRLZVSQ-ZDUSSCGKSA-N 1 0 398.345 2.698 20 0 GFADRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C1(c2ccc(Br)cc2)CCOCC1 ZINC000277460687 655320490 /nfs/dbraw/zinc/32/04/90/655320490.db2.gz IHWNYTJVDHRJEY-BBRMVZONSA-N 1 0 381.314 2.754 20 0 GFADRO Brc1ccc(C[NH2+]CC2(N3CCOCC3)CC2)c2ncccc12 ZINC000277523827 655324506 /nfs/dbraw/zinc/32/45/06/655324506.db2.gz TXQBRHSTSWSGIR-UHFFFAOYSA-N 1 0 376.298 2.952 20 0 GFADRO Cn1c(Cl)nc(Cl)c1CN1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000120052846 655326023 /nfs/dbraw/zinc/32/60/23/655326023.db2.gz SHRURTVDTCHWHZ-UHFFFAOYSA-N 1 0 389.249 2.814 20 0 GFADRO Cc1nc(CN2C[C@@H](F)C[C@H]2C[N@@H+](C)Cc2ccc(Br)o2)no1 ZINC000280743777 655330057 /nfs/dbraw/zinc/33/00/57/655330057.db2.gz ZYRWQZYLHRRZMT-RYUDHWBXSA-N 1 0 387.253 2.778 20 0 GFADRO Cc1nc2c(s1)[C@H]([NH2+]CC1CCN(S(=O)(=O)C(F)F)CC1)CCC2 ZINC000180795102 655330289 /nfs/dbraw/zinc/33/02/89/655330289.db2.gz BVPWJCUIQVULPY-GFCCVEGCSA-N 1 0 379.498 2.683 20 0 GFADRO CCc1nc(C)c([C@@H](C)[NH2+]CC2CCN(S(=O)(=O)C(F)F)CC2)s1 ZINC000180792191 655330313 /nfs/dbraw/zinc/33/03/13/655330313.db2.gz UPYMSFYQWXFYNM-SNVBAGLBSA-N 1 0 381.514 2.929 20 0 GFADRO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)NNc1ccc(Br)cn1 ZINC000181316547 655335094 /nfs/dbraw/zinc/33/50/94/655335094.db2.gz JBHVEUZYRVTAMI-CYBMUJFWSA-N 1 0 392.301 2.991 20 0 GFADRO C[NH+]1CCC(C(=O)N2CCN(Cc3cc(Br)ccc3F)CC2)CC1 ZINC000281561860 655335289 /nfs/dbraw/zinc/33/52/89/655335289.db2.gz KZIICEJAOYUNSU-UHFFFAOYSA-N 1 0 398.320 2.574 20 0 GFADRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)Cc1cc2c(cc1Br)OCCO2 ZINC000120612027 655340483 /nfs/dbraw/zinc/34/04/83/655340483.db2.gz KOTFYVWQHZKBII-WFASDCNBSA-N 1 0 397.313 2.561 20 0 GFADRO COCC[N@H+]1[C@H](C)CN(C(=O)Cc2cc(OC)ccc2Br)C[C@@H]1C ZINC000120718294 655343009 /nfs/dbraw/zinc/34/30/09/655343009.db2.gz SVEUOFNOMXMNAO-OKILXGFUSA-N 1 0 399.329 2.568 20 0 GFADRO C[C@H](Oc1ccc(Br)cc1)C(=O)NCCC[NH2+]Cc1cccnc1 ZINC000120901634 655346479 /nfs/dbraw/zinc/34/64/79/655346479.db2.gz YWDNLWPYHKRDSO-AWEZNQCLSA-N 1 0 392.297 2.908 20 0 GFADRO Cc1c2cc(Br)ccc2oc1C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000289364690 655347670 /nfs/dbraw/zinc/34/76/70/655347670.db2.gz ZPSPXQWGJJTGEY-CQSZACIVSA-N 1 0 392.297 2.623 20 0 GFADRO COCC[N@H+]1[C@H](C)CN(C(=O)CCc2ccccc2Br)C[C@@H]1C ZINC000121229379 655348678 /nfs/dbraw/zinc/34/86/78/655348678.db2.gz DCGABCINLQJJKS-GASCZTMLSA-N 1 0 383.330 2.949 20 0 GFADRO COc1cc(/C=C/C(=O)N2CC[NH+](C(C)C)CC2)cc(Br)c1O ZINC000183375191 655351019 /nfs/dbraw/zinc/35/10/19/655351019.db2.gz QWBSGAZGRODIID-SNAWJCMRSA-N 1 0 383.286 2.729 20 0 GFADRO CCC[N@@H+]1CC[C@@H](CNc2cnn(-c3ccccn3)c(=O)c2Br)C1 ZINC000292751923 655354121 /nfs/dbraw/zinc/35/41/21/655354121.db2.gz KJCUORUALKMJDP-ZDUSSCGKSA-N 1 0 392.301 2.534 20 0 GFADRO O[C@@H](C[NH2+][C@@H]1CCOc2c(Br)cccc21)COCC(F)(F)F ZINC000292911101 655356792 /nfs/dbraw/zinc/35/67/92/655356792.db2.gz KTLYYUPWSDETRF-JOYOIKCWSA-N 1 0 384.192 2.802 20 0 GFADRO C[N@@H+]1CCC[C@@]2(CCN(S(=O)(=O)c3sccc3Br)C2)C1 ZINC000292928802 655357309 /nfs/dbraw/zinc/35/73/09/655357309.db2.gz YSOGEWMELAARMJ-CYBMUJFWSA-N 1 0 379.345 2.617 20 0 GFADRO Cc1nnc(C[NH2+]C2(Cc3ccc(F)cc3Br)CCOCC2)n1C ZINC000293635580 655360479 /nfs/dbraw/zinc/36/04/79/655360479.db2.gz RINSECJUWBADID-UHFFFAOYSA-N 1 0 397.292 2.907 20 0 GFADRO CS(=O)(=O)N1CCC(C[NH2+][C@H]2CCc3sc(Br)cc32)CC1 ZINC000293761170 655361456 /nfs/dbraw/zinc/36/14/56/655361456.db2.gz OXHMXVCGIUBRCE-LBPRGKRZSA-N 1 0 393.372 2.759 20 0 GFADRO COC(=O)CC[N@@H+](Cc1cccc(Br)c1)C[C@@H]1CCNC(=O)CC1 ZINC000296140265 655367762 /nfs/dbraw/zinc/36/77/62/655367762.db2.gz XEOFFSFSVNOMPS-AWEZNQCLSA-N 1 0 397.313 2.731 20 0 GFADRO COCCNC(=O)[C@H](CC(C)C)[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000186356377 655368958 /nfs/dbraw/zinc/36/89/58/655368958.db2.gz MQQQDEDDMNOKNH-WFASDCNBSA-N 1 0 387.318 2.983 20 0 GFADRO COC(=O)N1CCC([C@@H](C)[NH2+]C[C@H](O)c2ccccc2Br)CC1 ZINC000186414091 655369426 /nfs/dbraw/zinc/36/94/26/655369426.db2.gz LSFOSYSUNYMKLU-WBMJQRKESA-N 1 0 385.302 2.939 20 0 GFADRO C[C@@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH2+]CC(=O)NC1CC1 ZINC000297395409 655370210 /nfs/dbraw/zinc/37/02/10/655370210.db2.gz JVSYSAZSMLLTDT-VIFPVBQESA-N 1 0 377.794 2.944 20 0 GFADRO CCC[C@H](C[NH2+][C@H](C)c1ccc(Br)c(S(N)(=O)=O)c1)OC ZINC000297409235 655370516 /nfs/dbraw/zinc/37/05/16/655370516.db2.gz TVBIYDNDSIRKDD-ZYHUDNBSSA-N 1 0 379.320 2.562 20 0 GFADRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)CCOc1ccc(Cl)cc1Br ZINC000186723733 655371140 /nfs/dbraw/zinc/37/11/40/655371140.db2.gz GCZUBHOKRGZQRN-MFKMUULPSA-N 1 0 375.694 2.986 20 0 GFADRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)NCCc3nc(C(F)(F)F)cs3)C2)C1 ZINC000297998198 655371747 /nfs/dbraw/zinc/37/17/47/655371747.db2.gz PNLYFWQRMWGJFU-OAHLLOKOSA-N 1 0 376.448 2.832 20 0 GFADRO COC(=O)C1CC[NH+](CCCNC(=O)c2cc(Br)cs2)CC1 ZINC000299377854 655375096 /nfs/dbraw/zinc/37/50/96/655375096.db2.gz YJJCVYGSYXUCCK-UHFFFAOYSA-N 1 0 389.315 2.516 20 0 GFADRO CC(=O)N1CCC(NC(=O)C[NH2+]C2(c3ccc(Cl)c(Cl)c3)CC2)CC1 ZINC000299630449 655377637 /nfs/dbraw/zinc/37/76/37/655377637.db2.gz NHSZPJNVGWHEFV-UHFFFAOYSA-N 1 0 384.307 2.699 20 0 GFADRO Cc1nc(Cl)ccc1S(=O)(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000311128275 655379212 /nfs/dbraw/zinc/37/92/12/655379212.db2.gz QFORHZJBPCTCPJ-INIZCTEOSA-N 1 0 379.913 2.938 20 0 GFADRO C[N@@H+]1CCC[C@]2(CCN(CN3Cc4c(cccc4Br)C3=O)C2)C1 ZINC000840087494 661131122 /nfs/dbraw/zinc/13/11/22/661131122.db2.gz TWVFRBWQQYMOPO-SFHVURJKSA-N 1 0 378.314 2.780 20 0 GFADRO O=C(Nc1ccc(N2CCCC2=O)c(Cl)c1)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000327331664 655385989 /nfs/dbraw/zinc/38/59/89/655385989.db2.gz BKEJFEWXAMSDMD-HNNXBMFYSA-N 1 0 375.778 2.947 20 0 GFADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)Oc1c(F)cccc1Cl ZINC000189788626 655388247 /nfs/dbraw/zinc/38/82/47/655388247.db2.gz YFXJUYFALQMPEQ-UHFFFAOYSA-N 1 0 375.853 2.622 20 0 GFADRO O=C1N[C@H](c2ccc(Br)cc2)C(=O)N1[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000349377718 655389778 /nfs/dbraw/zinc/38/97/78/655389778.db2.gz VOYUDKBQLPPLQF-SOUVJXGZSA-N 1 0 378.270 2.669 20 0 GFADRO O=C1N[C@H](c2ccc(Br)cc2)C(=O)N1[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000349377716 655389800 /nfs/dbraw/zinc/38/98/00/655389800.db2.gz VOYUDKBQLPPLQF-RRFJBIMHSA-N 1 0 378.270 2.669 20 0 GFADRO CN(CC1([NH+](C)C)CCC1)C(=O)CCN1C(=S)N=NC1c1cccs1 ZINC000190150706 655390189 /nfs/dbraw/zinc/39/01/89/655390189.db2.gz VKFHQMUAGMCLLA-UHFFFAOYSA-N 1 0 379.555 2.628 20 0 GFADRO CN(C)C(=O)[C@H]1CC[C@@H](C[NH2+]C2CC(c3cccc(Br)c3)C2)O1 ZINC000365314711 655393202 /nfs/dbraw/zinc/39/32/02/655393202.db2.gz CNIMGVKGKFVSQT-MHVXSEJMSA-N 1 0 381.314 2.921 20 0 GFADRO C[C@@H](CCNC(=O)c1cc(Br)nn1C)[N@H+](C)Cc1ccccc1 ZINC000192144952 655402891 /nfs/dbraw/zinc/40/28/91/655402891.db2.gz PFKSTWJVDVYIAD-ZDUSSCGKSA-N 1 0 379.302 2.823 20 0 GFADRO O=c1oc2cc(F)c(Br)cc2n1CN1CC[C@@H]([NH+]2CCCC2)C1 ZINC000192158677 655403015 /nfs/dbraw/zinc/40/30/15/655403015.db2.gz UZPSHTXDCGOBIH-LLVKDONJSA-N 1 0 384.249 2.624 20 0 GFADRO Cn1nc(Br)cc1C(=O)Nc1cccc(OCCC[NH+](C)C)c1 ZINC000192303738 655404477 /nfs/dbraw/zinc/40/44/77/655404477.db2.gz DAOSURXSRGUXIL-UHFFFAOYSA-N 1 0 381.274 2.765 20 0 GFADRO C[C@H](NC(=O)N[C@@H](CCO)c1ccccc1Br)[C@H]1CCC[NH2+]C1 ZINC000418349781 655405696 /nfs/dbraw/zinc/40/56/96/655405696.db2.gz SFWZKVXOVIJIQE-XEZPLFJOSA-N 1 0 384.318 2.560 20 0 GFADRO C[C@H](NC(=O)N[C@H](CCO)c1ccccc1Br)[C@@H]1CCC[NH2+]C1 ZINC000418349780 655405753 /nfs/dbraw/zinc/40/57/53/655405753.db2.gz SFWZKVXOVIJIQE-WOSRLPQWSA-N 1 0 384.318 2.560 20 0 GFADRO O=C(NC[C@H]1CCC[NH2+]1)N1CCC[C@H]1c1ccc(I)cc1 ZINC000418357144 655405847 /nfs/dbraw/zinc/40/58/47/655405847.db2.gz CTBBELSAKAMDSX-CABCVRRESA-N 1 0 399.276 2.890 20 0 GFADRO C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000420406960 655407540 /nfs/dbraw/zinc/40/75/40/655407540.db2.gz ROCDGDPIZCKTAV-KSSFIOAISA-N 1 0 380.330 2.624 20 0 GFADRO O=S(=O)(c1ccc(Br)cc1Cl)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000420471336 655407551 /nfs/dbraw/zinc/40/75/51/655407551.db2.gz AHWPFQFLGOPNNR-ZDUSSCGKSA-N 1 0 379.707 2.619 20 0 GFADRO O=c1oc2cc(Br)ccc2n1C[N@H+]1CCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000840117835 661135263 /nfs/dbraw/zinc/13/52/63/661135263.db2.gz CGRLXVAHDQPFOF-GUTXKFCHSA-N 1 0 381.270 2.940 20 0 GFADRO Cc1ccc(F)c(Br)c1NC(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000453606471 655411921 /nfs/dbraw/zinc/41/19/21/655411921.db2.gz XYCXNDQFRIKYFK-NWDGAFQWSA-N 1 0 398.276 2.578 20 0 GFADRO CC1(C)CCC[NH2+][C@@H]1CNC(=O)c1ccc(F)cc1I ZINC000232869972 655424137 /nfs/dbraw/zinc/42/41/37/655424137.db2.gz VFWIALMUHNRCQR-CYBMUJFWSA-N 1 0 390.240 2.938 20 0 GFADRO CC(C)[NH+]1CCN([C@H]2CCN(C(=O)c3ccsc3Br)C2)CC1 ZINC000562683069 655424147 /nfs/dbraw/zinc/42/41/47/655424147.db2.gz HKXUQSCONMSDAG-ZDUSSCGKSA-N 1 0 386.359 2.751 20 0 GFADRO CC[NH2+]CCNC(=O)c1cc(I)cc(C(F)(F)F)c1 ZINC000236967842 655425409 /nfs/dbraw/zinc/42/54/09/655425409.db2.gz PCFCRUWXYFBWIY-UHFFFAOYSA-N 1 0 386.155 2.649 20 0 GFADRO COC(=O)c1cc(S(=O)(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])c(Cl)cc1Cl ZINC000237204803 655425796 /nfs/dbraw/zinc/42/57/96/655425796.db2.gz GDENUOKXJPRDCJ-NOZJJQNGSA-N 1 0 395.308 2.576 20 0 GFADRO COc1cc(C[NH2+]C[C@@H](O)CC(C)C)cc(I)c1OC ZINC000237150235 655425814 /nfs/dbraw/zinc/42/58/14/655425814.db2.gz BDYGBYNEMOURFX-LBPRGKRZSA-N 1 0 393.265 2.805 20 0 GFADRO [NH3+]C1(CNC(=O)CN2C(=S)N=NC2c2ccc(Cl)cc2)CCCCC1 ZINC000237749235 655426544 /nfs/dbraw/zinc/42/65/44/655426544.db2.gz JNWGXCHFDQUBLZ-UHFFFAOYSA-N 1 0 379.917 2.665 20 0 GFADRO O=C(C[C@@H]1CSCC[NH2+]1)N(Cc1ccccc1)C[C@H](O)c1ccsc1 ZINC000237997755 655426839 /nfs/dbraw/zinc/42/68/39/655426839.db2.gz AVAIIFADOGLHJE-MSOLQXFVSA-N 1 0 376.547 2.905 20 0 GFADRO [NH3+]C[C@@H](NC(=O)/C=C/c1ccc(I)o1)C1CCCCC1 ZINC000238086146 655427051 /nfs/dbraw/zinc/42/70/51/655427051.db2.gz CDUYDHWITYHCBE-BUUCAEBMSA-N 1 0 388.249 2.921 20 0 GFADRO O=c1ccn(C[N@@H+]2CCO[C@@H]([C@H]3CCCO3)C2)c2c(Br)cccc12 ZINC000246212498 655429474 /nfs/dbraw/zinc/42/94/74/655429474.db2.gz KLOLSLANQIXTNE-IAGOWNOFSA-N 1 0 393.281 2.601 20 0 GFADRO C[C@@H]1CN(S(=O)(=O)Cc2cc(Cl)ccc2Br)[C@@H](C)C[NH2+]1 ZINC000575058859 655434857 /nfs/dbraw/zinc/43/48/57/655434857.db2.gz ZSMVSWUNXMXKLU-ZJUUUORDSA-N 1 0 381.723 2.615 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)c2ccc(Cl)cc2Br)CC12CCOCC2 ZINC000575802782 655437344 /nfs/dbraw/zinc/43/73/44/655437344.db2.gz UPAFKIVTYGMFCU-NSHDSACASA-N 1 0 387.705 2.930 20 0 GFADRO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)N1C[C@H](C[NH3+])C[C@@H]1C ZINC000261789789 655442345 /nfs/dbraw/zinc/44/23/45/655442345.db2.gz KTPOSKNMJGLKJD-ONGXEEELSA-N 1 0 379.254 2.673 20 0 GFADRO CSC1(CNS(=O)(=O)c2cccc3cc(C)cnc32)CC[NH+](C)CC1 ZINC000576076910 655442693 /nfs/dbraw/zinc/44/26/93/655442693.db2.gz VYDWTGZIWJXKTH-UHFFFAOYSA-N 1 0 379.551 2.649 20 0 GFADRO O=C(NCC1C[NH2+]C1)[C@H](Oc1ccccc1Br)c1ccccc1 ZINC000261929069 655442948 /nfs/dbraw/zinc/44/29/48/655442948.db2.gz KPWZIJVWVPMJJQ-QGZVFWFLSA-N 1 0 375.266 2.905 20 0 GFADRO CCCN(CC(=O)Nc1ccc(Cl)cc1Cl)C(=O)C[C@H]1COCC[NH2+]1 ZINC000262022018 655443582 /nfs/dbraw/zinc/44/35/82/655443582.db2.gz YECZKJMEYIMKSY-ZDUSSCGKSA-N 1 0 388.295 2.549 20 0 GFADRO O=C1[C@@H]([NH2+]Cc2cnn(-c3ccc(Br)cc3)c2)C[C@H]2CCCCN12 ZINC000576110821 655443655 /nfs/dbraw/zinc/44/36/55/655443655.db2.gz OCAMJVNEFINYDY-SJORKVTESA-N 1 0 389.297 2.878 20 0 GFADRO O=C(NCC1C[NH2+]C1)c1ccccc1Sc1ccc(Br)cn1 ZINC000262049181 655443697 /nfs/dbraw/zinc/44/36/97/655443697.db2.gz VCCXZSKZLHMUBE-UHFFFAOYSA-N 1 0 378.295 2.945 20 0 GFADRO C[C@H](Cc1ccc(F)cc1Br)[NH2+]C[C@H]1CC[C@@H](C(=O)N(C)C)O1 ZINC000576142246 655444266 /nfs/dbraw/zinc/44/42/66/655444266.db2.gz GOUNFKHHSBTWDW-XFJVYGCCSA-N 1 0 387.293 2.745 20 0 GFADRO CC[N@H+](CCNC(=O)N(C)C[C@@H](O)c1cccc(Br)c1)C(C)C ZINC000840282388 661151551 /nfs/dbraw/zinc/15/15/51/661151551.db2.gz KLRLQUAOPVKZRL-MRXNPFEDSA-N 1 0 386.334 2.854 20 0 GFADRO CC[NH2+][C@H](C)CNC(=O)CCCOc1ccc(I)cc1 ZINC000262347924 655445218 /nfs/dbraw/zinc/44/52/18/655445218.db2.gz HZHINLJDSNSFPQ-GFCCVEGCSA-N 1 0 390.265 2.564 20 0 GFADRO O=C(NC[C@H](O)COc1cccc(Cl)c1Cl)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000262435599 655445649 /nfs/dbraw/zinc/44/56/49/655445649.db2.gz LGPQYQKCBCGDGO-VIRABCJISA-N 1 0 387.307 2.770 20 0 GFADRO C[C@H]1CN(C(=O)c2cc3cc(Cl)sc3[nH]2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000576335136 655445819 /nfs/dbraw/zinc/44/58/19/655445819.db2.gz RRUQDLTWLVOTFP-WFASDCNBSA-N 1 0 380.945 2.981 20 0 GFADRO CCOC(=O)COc1c(Br)cc(C)cc1CN1C[C@H](C[NH3+])C[C@@H]1C ZINC000576400101 655446804 /nfs/dbraw/zinc/44/68/04/655446804.db2.gz WEMDZMYGFIFYRI-KBPBESRZSA-N 1 0 399.329 2.869 20 0 GFADRO [NH3+]CC12CCC(CC1)CN2CCS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000576527944 655448543 /nfs/dbraw/zinc/44/85/43/655448543.db2.gz BDJKGEFPLAWVGL-UHFFFAOYSA-N 1 0 377.337 2.970 20 0 GFADRO COC(=O)c1ccc(C[NH2+]C[C@@H](C(C)C)N2CCOCC2)c(Br)c1 ZINC000576723159 655451649 /nfs/dbraw/zinc/45/16/49/655451649.db2.gz NGCDGOUDEBKNTB-KRWDZBQOSA-N 1 0 399.329 2.682 20 0 GFADRO [NH3+]C[C@H]1c2ccccc2CCN1S(=O)(=O)c1ccc(F)cc1Br ZINC000576874560 655453601 /nfs/dbraw/zinc/45/36/01/655453601.db2.gz VKMYGPOSLUKPIU-HNNXBMFYSA-N 1 0 399.285 2.835 20 0 GFADRO C[C@@H]([NH3+])C[C@H](C)NC(=O)NCc1cnn(-c2ccc(Br)cc2)c1 ZINC000576872165 655453642 /nfs/dbraw/zinc/45/36/42/655453642.db2.gz YBGPUIXWIFUIKC-NEPJUHHUSA-N 1 0 380.290 2.560 20 0 GFADRO COc1ccc(Cl)cc1[C@@H](C)[NH2+]C[C@H]1CCCCN1S(=O)(=O)N(C)C ZINC000576903410 655454399 /nfs/dbraw/zinc/45/43/99/655454399.db2.gz FPAOGUZQQGUHBL-UKRRQHHQSA-N 1 0 389.949 2.660 20 0 GFADRO Cc1nc(NC(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)sc1C(F)(F)F ZINC000577079000 655457297 /nfs/dbraw/zinc/45/72/97/655457297.db2.gz WFTOTVKEORRMKS-LLVKDONJSA-N 1 0 378.420 2.656 20 0 GFADRO CCOC(=O)CC[C@H](O)C[NH2+][C@H]1CCN(c2ccc(Cl)cc2Cl)C1 ZINC000577365404 655457690 /nfs/dbraw/zinc/45/76/90/655457690.db2.gz CGYFWTOOBGMMJR-KBPBESRZSA-N 1 0 375.296 2.866 20 0 GFADRO O[C@H](C[NH2+]CC[C@@H]1CCCCO1)COc1cc(F)cc(Br)c1 ZINC000577365722 655457825 /nfs/dbraw/zinc/45/78/25/655457825.db2.gz LSVYQTUHUZZOCU-CABCVRRESA-N 1 0 376.266 2.877 20 0 GFADRO COC[C@@]1(CNC(=O)c2cc(C)c(Br)c(Cl)c2)CCC[NH2+]1 ZINC000577382430 655458413 /nfs/dbraw/zinc/45/84/13/655458413.db2.gz DQJSDNPIJYSABB-HNNXBMFYSA-N 1 0 375.694 2.909 20 0 GFADRO O=C(Cc1ccc(Br)cc1)NCC1([NH+]2CCCC2)CCOCC1 ZINC000264177078 655458468 /nfs/dbraw/zinc/45/84/68/655458468.db2.gz LYLGLQXISKIWLP-UHFFFAOYSA-N 1 0 381.314 2.753 20 0 GFADRO CC[C@H]1C[N@H+](C)CCCN1S(=O)(=O)c1ccc(C)c(Br)c1 ZINC000577562566 655461868 /nfs/dbraw/zinc/46/18/68/655461868.db2.gz HPZFQWFWWOSBKZ-ZDUSSCGKSA-N 1 0 375.332 2.862 20 0 GFADRO C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)C1 ZINC000264624267 655467315 /nfs/dbraw/zinc/46/73/15/655467315.db2.gz OULWCDMYJQJZDE-WBMJQRKESA-N 1 0 384.307 2.666 20 0 GFADRO CN(CCCN1CC[NH+](C)CC1)C(=O)c1cc2ccc(Br)cc2[nH]1 ZINC000264649551 655467929 /nfs/dbraw/zinc/46/79/29/655467929.db2.gz SBGNSLMVNIBBJP-UHFFFAOYSA-N 1 0 393.329 2.640 20 0 GFADRO C[NH+](C)[C@H]1CCC[C@@H](NS(=O)(=O)c2c(F)cccc2OC(F)(F)F)C1 ZINC000577847849 655468401 /nfs/dbraw/zinc/46/84/01/655468401.db2.gz LEMZZMNXVJRDKF-MNOVXSKESA-N 1 0 384.395 2.875 20 0 GFADRO CSC[C@@H](O)C[NH2+][C@H]1CCCN(c2ccc(Br)c(C)c2)C1=O ZINC000577842908 655468410 /nfs/dbraw/zinc/46/84/10/655468410.db2.gz MPQNGMMFWSSLAV-ZFWWWQNUSA-N 1 0 387.343 2.566 20 0 GFADRO C[NH+](C)CCOc1cnccc1CNC(=O)[C@@H]1SCCc2sccc21 ZINC000578097705 655472481 /nfs/dbraw/zinc/47/24/81/655472481.db2.gz JYYOQKWNPAYOKS-QGZVFWFLSA-N 1 0 377.535 2.730 20 0 GFADRO CC(=O)[C@@H](NC(=O)C[NH2+][C@H](c1cncc(Br)c1)C1CC1)C(C)C ZINC000578212183 655474108 /nfs/dbraw/zinc/47/41/08/655474108.db2.gz ZEHLUXHPUOCBRO-IRXDYDNUSA-N 1 0 382.302 2.615 20 0 GFADRO CC(=O)[C@H](NC(=O)C[NH2+][C@H](c1cncc(Br)c1)C1CC1)C(C)C ZINC000578212184 655474123 /nfs/dbraw/zinc/47/41/23/655474123.db2.gz ZEHLUXHPUOCBRO-SJORKVTESA-N 1 0 382.302 2.615 20 0 GFADRO Cc1cc(Br)cc(C[NH2+]CCN2CCOCC2)c1OC(F)F ZINC000578229017 655474527 /nfs/dbraw/zinc/47/45/27/655474527.db2.gz ZGRGBOKCTLITNI-UHFFFAOYSA-N 1 0 379.245 2.781 20 0 GFADRO [NH3+]C[C@H]1CCCC[C@]12NC(=O)N(Cc1ccc(Br)c(F)c1)C2=O ZINC000578320421 655476651 /nfs/dbraw/zinc/47/66/51/655476651.db2.gz SSTOPJJVYVNKGD-BZNIZROVSA-N 1 0 384.249 2.528 20 0 GFADRO COc1cc(C)c(S(=O)(=O)NCC2(SC)CC[NH+](C)CC2)cc1Cl ZINC000578373132 655477459 /nfs/dbraw/zinc/47/74/59/655477459.db2.gz WNZKESRFJBHVRT-UHFFFAOYSA-N 1 0 392.974 2.763 20 0 GFADRO Cc1csc([C@@](O)(CC(=O)NC[C@@H](CC(C)C)[NH+](C)C)C(F)(F)F)n1 ZINC000265116870 655477722 /nfs/dbraw/zinc/47/77/22/655477722.db2.gz MNSZWURXNUAJMF-DOMZBBRYSA-N 1 0 381.464 2.684 20 0 GFADRO CC(C)[C@@H](C(=O)NCc1ccc(Br)cc1N1CCOCC1)[C@@H](C)[NH3+] ZINC000578536543 655481343 /nfs/dbraw/zinc/48/13/43/655481343.db2.gz HZOCZEMWXJVIAU-CXAGYDPISA-N 1 0 398.345 2.521 20 0 GFADRO CSc1nc2ccc(NC(=O)C(=O)NCC(C)(C)C[NH+](C)C)cc2s1 ZINC000265418778 655482952 /nfs/dbraw/zinc/48/29/52/655482952.db2.gz HYIMMJYCTMYJLF-UHFFFAOYSA-N 1 0 380.539 2.661 20 0 GFADRO CCO[C@H]1C[C@@]([NH3+])(C(=O)NCc2cc(Br)ccc2OC)C1(C)C ZINC000578646186 655483861 /nfs/dbraw/zinc/48/38/61/655483861.db2.gz RMSPUXITMXSXPQ-WMLDXEAASA-N 1 0 385.302 2.606 20 0 GFADRO O=C1NC2(CC[NH2+]CC2)C(=O)N1Cc1nc(-c2ccccc2Cl)cs1 ZINC000578745211 655486197 /nfs/dbraw/zinc/48/61/97/655486197.db2.gz KCEZLWHWNLHXIP-UHFFFAOYSA-N 1 0 376.869 2.638 20 0 GFADRO CC[C@@H](OC)C(=O)NC1CC[NH+](CCOc2ccc(Br)cc2)CC1 ZINC000265620513 655487337 /nfs/dbraw/zinc/48/73/37/655487337.db2.gz QKHQMGZBIYNJIT-QGZVFWFLSA-N 1 0 399.329 2.834 20 0 GFADRO C[N@@H+]1CCCC[C@@H]1CCOC(=O)c1cc(S(N)(=O)=O)cc(Cl)c1Cl ZINC000840229715 661148812 /nfs/dbraw/zinc/14/88/12/661148812.db2.gz DQLRQGYHJPOIMS-SNVBAGLBSA-N 1 0 395.308 2.672 20 0 GFADRO Cc1cc(Br)cn2cc(CNC(=O)NCCC[NH2+]C(C)C)nc12 ZINC000578980778 655490692 /nfs/dbraw/zinc/49/06/92/655490692.db2.gz SKJCWOZAPIQDNX-UHFFFAOYSA-N 1 0 382.306 2.593 20 0 GFADRO C[C@@H]1CN(C[C@@H](O)C[NH2+]CC(C)(C)c2ccccc2Br)C[C@@H](C)O1 ZINC000579103031 655494028 /nfs/dbraw/zinc/49/40/28/655494028.db2.gz BTOXVZZAYLQLKS-OAGGEKHMSA-N 1 0 399.373 2.786 20 0 GFADRO O[C@@H](C[NH2+]CCc1cn2ccccc2n1)COc1cccc(Br)c1 ZINC000579110661 655494201 /nfs/dbraw/zinc/49/42/01/655494201.db2.gz FDWGZWUUBQGFTF-INIZCTEOSA-N 1 0 390.281 2.669 20 0 GFADRO O=C(c1c[nH]c(=O)c(Br)c1)N1CC[NH+](CC2CCCCC2)CC1 ZINC000266074775 655496333 /nfs/dbraw/zinc/49/63/33/655496333.db2.gz FPZSCLRHHIJQNJ-UHFFFAOYSA-N 1 0 382.302 2.888 20 0 GFADRO C[C@H](NC(=O)N1CCC[C@@H]1C[NH+]1CCCC1)c1ncc(Br)cn1 ZINC000579324315 655497995 /nfs/dbraw/zinc/49/79/95/655497995.db2.gz PFQUYGOGJNQBGA-GXTWGEPZSA-N 1 0 382.306 2.570 20 0 GFADRO Cc1c(Br)cccc1CNC(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000579370754 655498479 /nfs/dbraw/zinc/49/84/79/655498479.db2.gz AJVUGEDORZKGBM-UHFFFAOYSA-N 1 0 398.345 2.746 20 0 GFADRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)Nc3cnn(-c4ncc(Cl)cc4Cl)c3)C[C@@H]12 ZINC000579448736 655499843 /nfs/dbraw/zinc/49/98/43/655499843.db2.gz PPLFSBFOPQUGRT-GAJTVXKRSA-N 1 0 381.267 2.775 20 0 GFADRO CNC(=O)[C@@H](C[NH2+]Cc1ccc(Br)o1)Cc1ccc(OC)c(F)c1 ZINC000579591780 655501919 /nfs/dbraw/zinc/50/19/19/655501919.db2.gz OBFFFCSNHAGSTJ-GFCCVEGCSA-N 1 0 399.260 2.884 20 0 GFADRO C[C@@H]([NH3+])C[C@H](C)NC(=O)c1cnn(-c2ncccc2Cl)c1C(F)(F)F ZINC000579597542 655501991 /nfs/dbraw/zinc/50/19/91/655501991.db2.gz SVAWACWUDIBYPR-BDAKNGLRSA-N 1 0 375.782 2.795 20 0 GFADRO [NH3+]C[C@H]1c2ccccc2CCN1C(=O)c1cc2c(c(Br)c1)OCO2 ZINC000579595293 655502014 /nfs/dbraw/zinc/50/20/14/655502014.db2.gz SRJIMTRONAJWPN-HNNXBMFYSA-N 1 0 389.249 2.876 20 0 GFADRO C[C@@H]1CN(C(=O)Nc2ccc(CCn3cc(Br)cn3)cc2)CC[NH2+]1 ZINC000579928870 655505687 /nfs/dbraw/zinc/50/56/87/655505687.db2.gz QVNPSHWACCGVKD-CYBMUJFWSA-N 1 0 392.301 2.714 20 0 GFADRO C[C@@H](Cc1c(Cl)cccc1Cl)NC(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000580183322 655509477 /nfs/dbraw/zinc/50/94/77/655509477.db2.gz FYTVWFZVYLVULK-NWDGAFQWSA-N 1 0 382.295 2.870 20 0 GFADRO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)C[NH2+][C@@H]1C[C@H](O)C12CCC2 ZINC000595784334 655512949 /nfs/dbraw/zinc/51/29/49/655512949.db2.gz UTRDCKNGSQEGQG-OLZOCXBDSA-N 1 0 387.263 2.612 20 0 GFADRO CN1C[C@@H](CC[NH2+]Cc2cc(Cl)ccc2I)CC1=O ZINC000723368443 655525360 /nfs/dbraw/zinc/52/53/60/655525360.db2.gz LAGGFPKYOGZYEO-JTQLQIEISA-N 1 0 392.668 2.903 20 0 GFADRO Cc1ccc(/C=C/C(=O)NC[C@H](C)N2CC[NH+](C)CC2)c(Br)c1 ZINC000726985462 655540447 /nfs/dbraw/zinc/54/04/47/655540447.db2.gz NAXWNSCVFBDTCJ-LFAOLKIESA-N 1 0 380.330 2.523 20 0 GFADRO O=S(=O)(/C=C\c1ccccc1Br)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000727456172 655545952 /nfs/dbraw/zinc/54/59/52/655545952.db2.gz HXOSYYPCEQDISC-PINLSGDHSA-N 1 0 385.327 2.920 20 0 GFADRO COCCS(=O)(=O)CCC[NH2+]C(C)(C)c1ccc(Br)cc1 ZINC000727828037 655550063 /nfs/dbraw/zinc/55/00/63/655550063.db2.gz KQPDJUIMASRZHL-UHFFFAOYSA-N 1 0 378.332 2.725 20 0 GFADRO COc1ccc(OC)c([C@H](O)C[NH2+]C[C@H](O)c2ccc(Br)cc2)c1 ZINC000728942523 655560451 /nfs/dbraw/zinc/56/04/51/655560451.db2.gz MRTRHRZRWXMOSX-DLBZAZTESA-N 1 0 396.281 2.823 20 0 GFADRO Cc1csc([C@@](O)(CC(=O)N2CCCC[C@H]2C[NH+](C)C)C(F)(F)F)n1 ZINC000729250139 655563530 /nfs/dbraw/zinc/56/35/30/655563530.db2.gz AGVUSVQGBYZPRJ-WFASDCNBSA-N 1 0 379.448 2.534 20 0 GFADRO O=C(CCCC[NH+]1CCCC1)NCCNC(=O)c1cccc(Br)c1 ZINC000729355486 655564143 /nfs/dbraw/zinc/56/41/43/655564143.db2.gz UJRJTXSZSJOMPP-UHFFFAOYSA-N 1 0 396.329 2.561 20 0 GFADRO O=C(/C=C\c1ccc(Br)o1)NCC1([NH+]2CCCC2)CCOCC1 ZINC000729441222 655564676 /nfs/dbraw/zinc/56/46/76/655564676.db2.gz QDAXLLZIPNUMDM-XQRVVYSFSA-N 1 0 383.286 2.817 20 0 GFADRO COC(=O)CC1CC[NH+](Cn2ccc(=O)c3cccc(Br)c32)CC1 ZINC000729848296 655569221 /nfs/dbraw/zinc/56/92/21/655569221.db2.gz RDPKWDSBFPGEJZ-UHFFFAOYSA-N 1 0 393.281 2.997 20 0 GFADRO O=S(=O)(CC[NH2+]Cc1ccccc1-c1ccccc1)N1CCSCC1 ZINC000730578312 655576685 /nfs/dbraw/zinc/57/66/85/655576685.db2.gz JNJAIPUGAHMICE-UHFFFAOYSA-N 1 0 376.547 2.822 20 0 GFADRO CN(C[C@H](O)c1cccc(Br)c1)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000840303538 661152707 /nfs/dbraw/zinc/15/27/07/661152707.db2.gz WKQBQFUYEZJCSH-SJORKVTESA-N 1 0 396.329 2.608 20 0 GFADRO O=S(=O)(/C=C\c1cccc(Br)c1)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000731038235 655580824 /nfs/dbraw/zinc/58/08/24/655580824.db2.gz FAAODSMNZUFVEE-DZFYGRHCSA-N 1 0 385.327 2.824 20 0 GFADRO CN(C(=O)CCn1cc(Br)cn1)c1ccc(OCC[NH+](C)C)cc1 ZINC000732006611 655590587 /nfs/dbraw/zinc/59/05/87/655590587.db2.gz PVBRIMSAARDWEF-UHFFFAOYSA-N 1 0 395.301 2.639 20 0 GFADRO CN([C@@H]1CC[N@@H+](C2CC2)C1)S(=O)(=O)/C=C/c1ccccc1Br ZINC000732226550 655593585 /nfs/dbraw/zinc/59/35/85/655593585.db2.gz LIADXERYIIYZFI-SLZMIMFISA-N 1 0 385.327 2.918 20 0 GFADRO C/C=C\C(=O)N(CCN1CC[NH+](C)CC1)Cc1ccc(Br)cc1F ZINC000732645234 655599645 /nfs/dbraw/zinc/59/96/45/655599645.db2.gz RTMPYOCBWYFOCG-ARJAWSKDSA-N 1 0 398.320 2.740 20 0 GFADRO CC(C)[C@@H](C[NH+](C)C)NC(=O)[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000733169060 655608679 /nfs/dbraw/zinc/60/86/79/655608679.db2.gz YNVBMTLPEHQIDT-JKSUJKDBSA-N 1 0 396.329 2.504 20 0 GFADRO CC(C)(C)OC(=O)N1CCC(CC[NH2+]CCS(=O)(=O)C(C)(C)C)CC1 ZINC000733327940 655612858 /nfs/dbraw/zinc/61/28/58/655612858.db2.gz LZWOSMCBVGWIDG-UHFFFAOYSA-N 1 0 376.563 2.827 20 0 GFADRO O=C(Nc1nc(C(F)(F)F)cs1)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000733332851 655612871 /nfs/dbraw/zinc/61/28/71/655612871.db2.gz DJJKZZLPJTWCMT-NSHDSACASA-N 1 0 378.420 2.927 20 0 GFADRO C[NH+]1CCN(c2ccc(Br)cc2NC(=O)c2ccc(F)nc2)CC1 ZINC000733912899 655623480 /nfs/dbraw/zinc/62/34/80/655623480.db2.gz UOTJSUWAYYOQTP-UHFFFAOYSA-N 1 0 393.260 2.987 20 0 GFADRO O=C(NCc1ccccc1Br)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000734272021 655628610 /nfs/dbraw/zinc/62/86/10/655628610.db2.gz IEWYSOVYZFJXRZ-INIZCTEOSA-N 1 0 396.329 2.892 20 0 GFADRO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1Cn1cc(I)cn1 ZINC000738043421 655684415 /nfs/dbraw/zinc/68/44/15/655684415.db2.gz DSLBZGIMOVPAQI-CQSZACIVSA-N 1 0 396.276 2.652 20 0 GFADRO S=c1sc(-c2ccccc2)nn1CN1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000742162714 655710807 /nfs/dbraw/zinc/71/08/07/655710807.db2.gz XXULWAGOFYTRIX-OAHLLOKOSA-N 1 0 376.551 2.953 20 0 GFADRO CCC[NH+]1CCC(NC(=O)COc2ccc(C=O)cc2Br)CC1 ZINC000742489305 655718763 /nfs/dbraw/zinc/71/87/63/655718763.db2.gz QHVLKYXJWJYCIW-UHFFFAOYSA-N 1 0 383.286 2.631 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)C(=O)COc2ccc(C=O)cc2Br)[C@H](C)C1 ZINC000742704096 655720438 /nfs/dbraw/zinc/72/04/38/655720438.db2.gz JUKBZIBKPAIDGT-CJNGLKHVSA-N 1 0 397.313 2.829 20 0 GFADRO CC[NH+](CC)[C@@H]1CCN(C(=O)c2cn(-c3ccccc3Br)nn2)C1 ZINC000742902297 655723425 /nfs/dbraw/zinc/72/34/25/655723425.db2.gz ZMHADFNUUBDUIH-CYBMUJFWSA-N 1 0 392.301 2.586 20 0 GFADRO CCN1CC[NH+](C[C@@H](C)CNC(=S)Nc2cc(OC)ccc2Cl)CC1 ZINC000742991868 655724120 /nfs/dbraw/zinc/72/41/20/655724120.db2.gz GGCIFYRIQOPUPG-AWEZNQCLSA-N 1 0 384.977 2.909 20 0 GFADRO C[C@@H](NC(=S)N[C@@H](C)CN1CC[NH+](C)CC1)c1ccc(Br)cc1 ZINC000840728267 661179283 /nfs/dbraw/zinc/17/92/83/661179283.db2.gz VHYHURCRFSLPAM-UONOGXRCSA-N 1 0 399.402 2.610 20 0 GFADRO C[C@@H]1CCC[N@@H+]1CCNC(=O)c1cnn(-c2ccc(Br)cc2)c1 ZINC000744351837 655739327 /nfs/dbraw/zinc/73/93/27/655739327.db2.gz XKXYYYMXTIFWQO-CYBMUJFWSA-N 1 0 377.286 2.849 20 0 GFADRO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@H]1COC2(CCC(C)CC2)O1 ZINC000840737341 661181312 /nfs/dbraw/zinc/18/13/12/661181312.db2.gz BKJFMJJEPSKFQJ-NOAVELHRSA-N 1 0 399.329 2.911 20 0 GFADRO O=C(NCCc1ccc(Br)cc1F)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000745809873 655755060 /nfs/dbraw/zinc/75/50/60/655755060.db2.gz BDTUIQVKJNBJIX-HNNXBMFYSA-N 1 0 382.277 2.786 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2Cn1ncc2c1cccc2Br ZINC000746654484 655765512 /nfs/dbraw/zinc/76/55/12/655765512.db2.gz YMVLCOGFFXUHBB-FSPWUOQZSA-N 1 0 393.329 2.940 20 0 GFADRO CC(C)([NH2+]CN1C(=O)N[C@](C)(C2CC2)C1=O)c1ccc(Br)cc1 ZINC000747789685 655783672 /nfs/dbraw/zinc/78/36/72/655783672.db2.gz MVABZIOJQBSDDC-QGZVFWFLSA-N 1 0 380.286 2.952 20 0 GFADRO COCC[N@@H+]1CC[C@@H](NC(=S)N[C@H](C)c2ccc(Br)cc2)C1 ZINC000840724812 661178849 /nfs/dbraw/zinc/17/88/49/661178849.db2.gz BRQBFRWHPAHFFH-IUODEOHRSA-N 1 0 386.359 2.695 20 0 GFADRO COCCN(CC[NH+](C)C)C(=S)N[C@H](C)c1ccc(Br)cc1 ZINC000840725161 661178862 /nfs/dbraw/zinc/17/88/62/661178862.db2.gz DWQYJCDKTPZOOC-CYBMUJFWSA-N 1 0 388.375 2.895 20 0 GFADRO C[C@@H]([NH2+]CC(C)(C)[C@H]1COCC12OCCO2)c1ccc(Br)nc1 ZINC000840795227 661189025 /nfs/dbraw/zinc/18/90/25/661189025.db2.gz FEGGHBVBTIEKRK-TZMCWYRMSA-N 1 0 385.302 2.910 20 0 GFADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=S)Nc1ccc(F)c(Cl)c1 ZINC000751039995 655820715 /nfs/dbraw/zinc/82/07/15/655820715.db2.gz UVTBEDYODDKNLD-OAHLLOKOSA-N 1 0 386.924 2.708 20 0 GFADRO COC1CC[NH+](CCNC(=S)NCc2cccc(C(F)(F)F)c2)CC1 ZINC000751039819 655820733 /nfs/dbraw/zinc/82/07/33/655820733.db2.gz UPPOTCUDSBFDCR-UHFFFAOYSA-N 1 0 375.460 2.780 20 0 GFADRO CN(C)c1cc(NC(=S)NCC2CC[NH+](C)CC2)ncc1Br ZINC000840816474 661191864 /nfs/dbraw/zinc/19/18/64/661191864.db2.gz NTIWEPHQWBCLJP-UHFFFAOYSA-N 1 0 386.363 2.538 20 0 GFADRO O[C@@H](C[NH2+]CCOc1ccc2c(c1)OCO2)c1ccccc1Br ZINC000751577128 655831223 /nfs/dbraw/zinc/83/12/23/655831223.db2.gz UUZNUFNDCQQUBU-HNNXBMFYSA-N 1 0 380.238 2.880 20 0 GFADRO C[C@H](NC(=O)NC[C@]1([NH+](C)C)CCSC1)[C@H](O)c1c(F)cccc1Cl ZINC000753017777 655849351 /nfs/dbraw/zinc/84/93/51/655849351.db2.gz BTQIHMUUIBCEMQ-XNJJOIOASA-N 1 0 389.924 2.638 20 0 GFADRO CN(C(=O)c1cnn(-c2ccccc2)c1Br)C1CC[NH+](C)CC1 ZINC000753765493 655858046 /nfs/dbraw/zinc/85/80/46/655858046.db2.gz YMQAFFCZTBRXHD-UHFFFAOYSA-N 1 0 377.286 2.801 20 0 GFADRO C[NH+]1CCC(O)(CNC(=O)N[C@@H]2CCOc3c(Cl)c(Cl)ccc32)CC1 ZINC000753773005 655858336 /nfs/dbraw/zinc/85/83/36/655858336.db2.gz GQJMDVQGCAZQEI-CYBMUJFWSA-N 1 0 388.295 2.573 20 0 GFADRO C[C@@H]([NH2+]CCS(=O)(=O)C1CC1)c1ccc(F)c(I)c1 ZINC000840882346 661197979 /nfs/dbraw/zinc/19/79/79/661197979.db2.gz UBGLYPDWRMGJIP-SECBINFHSA-N 1 0 397.253 2.658 20 0 GFADRO COC(=O)[C@@]1(NC(=O)[C@H]2CC2(Cl)Cl)CCC[N@H+](Cc2ccccc2)C1 ZINC000755608883 655886248 /nfs/dbraw/zinc/88/62/48/655886248.db2.gz ADUKHMRUVNHDSI-RHSMWYFYSA-N 1 0 385.291 2.504 20 0 GFADRO CC[N@H+](CCNC(=O)NC[C@H](O)c1ccc(Cl)cc1)CCC(F)(F)F ZINC000755850859 655889945 /nfs/dbraw/zinc/88/99/45/655889945.db2.gz BHBZJWYLLUGYNT-AWEZNQCLSA-N 1 0 381.826 2.947 20 0 GFADRO Cc1ccc(N2N=C(Br)C[C@H]2C(=O)N2CC[C@@H](C[NH+](C)C)C2)cc1 ZINC000756093350 655894614 /nfs/dbraw/zinc/89/46/14/655894614.db2.gz GBTWSPCGUJHMPQ-HOCLYGCPSA-N 1 0 393.329 2.692 20 0 GFADRO CC(C)CCn1cccc1C[NH2+]C1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000756146724 655895595 /nfs/dbraw/zinc/89/55/95/655895595.db2.gz VGPSUBCSYBCJEE-UHFFFAOYSA-N 1 0 381.464 2.938 20 0 GFADRO CCOC(=O)N1CCC([NH2+]CC(=O)Nc2cc(Br)ccc2C)CC1 ZINC000756896656 655906656 /nfs/dbraw/zinc/90/66/56/655906656.db2.gz NPHHEPMGTSMNST-UHFFFAOYSA-N 1 0 398.301 2.907 20 0 GFADRO COC(=O)c1cc(S(=O)(=O)NCCC[N@@H+]2CCCC[C@H]2C)ccc1Cl ZINC000757478944 655912139 /nfs/dbraw/zinc/91/21/39/655912139.db2.gz XSIMNXMBYSSEHQ-CYBMUJFWSA-N 1 0 388.917 2.669 20 0 GFADRO COC(=O)c1cc(S(=O)(=O)NCCC[N@@H+]2CCCC[C@@H]2C)ccc1Cl ZINC000757478946 655912226 /nfs/dbraw/zinc/91/22/26/655912226.db2.gz XSIMNXMBYSSEHQ-ZDUSSCGKSA-N 1 0 388.917 2.669 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2ccc(Cl)c(C(=O)OC)c2)C[C@H]1C ZINC000757496815 655912753 /nfs/dbraw/zinc/91/27/53/655912753.db2.gz SUYSORPAHAASOG-CHWSQXEVSA-N 1 0 388.917 2.620 20 0 GFADRO C[NH+](C)CCNC(=S)Nc1cc(I)ccc1Cl ZINC000757537439 655913063 /nfs/dbraw/zinc/91/30/63/655913063.db2.gz IFJKAJHZKMJWNR-UHFFFAOYSA-N 1 0 383.686 2.793 20 0 GFADRO CC[NH+](CC)CCOCCNC(=S)NCc1ccc(Br)cc1 ZINC000757934528 655919158 /nfs/dbraw/zinc/91/91/58/655919158.db2.gz CFPYCPPTYBDUMM-UHFFFAOYSA-N 1 0 388.375 2.772 20 0 GFADRO C[C@@H](c1cccc(S(N)(=O)=O)c1)[N@H+](C)C[C@H](O)c1ccc(Cl)c(F)c1 ZINC000759850518 655965148 /nfs/dbraw/zinc/96/51/48/655965148.db2.gz JGEMMBXEACUCGB-GTNSWQLSSA-N 1 0 386.876 2.853 20 0 GFADRO C[NH+]1CCC(CNC(=S)NCc2cc(Cl)c3c(c2)OCCCO3)CC1 ZINC000760467469 655981708 /nfs/dbraw/zinc/98/17/08/655981708.db2.gz HDOICLHASOLOLL-UHFFFAOYSA-N 1 0 383.945 2.807 20 0 GFADRO C[N@H+](CC(=O)NCC[C@@H](O)c1ccc(Cl)c(Cl)c1)[C@@H]1CCSC1 ZINC000760689389 655989575 /nfs/dbraw/zinc/98/95/75/655989575.db2.gz CXYIKOCGWWCSTJ-IUODEOHRSA-N 1 0 377.337 2.970 20 0 GFADRO COc1ccc([C@@H]2NC(=O)N([C@H]3CC[N@H+](C)[C@H](C)C3)C2=O)cc1Br ZINC000761280633 656007286 /nfs/dbraw/zinc/00/72/86/656007286.db2.gz MYIBRMVYQDBVHZ-GMXABZIVSA-N 1 0 396.285 2.533 20 0 GFADRO O=C(C[NH2+][C@@H](CO)C1CC1)N1N=C(c2cccs2)C[C@H]1c1cccs1 ZINC000763072980 656070713 /nfs/dbraw/zinc/07/07/13/656070713.db2.gz VYGYTKNSSOJSIX-GJZGRUSLSA-N 1 0 375.519 2.848 20 0 GFADRO C[N@@H+](Cc1ccc2c(c1)NC(=O)CO2)C[C@@H](O)c1cccc(Br)c1 ZINC000840957363 661220408 /nfs/dbraw/zinc/22/04/08/661220408.db2.gz CJUZTUBYYXORRX-MRXNPFEDSA-N 1 0 391.265 2.945 20 0 GFADRO C[C@@]1(CNC(=O)Nc2cc3c(cc2Br)OCCO3)CCC[NH2+]C1 ZINC000841016379 661227929 /nfs/dbraw/zinc/22/79/29/661227929.db2.gz UNPUZRYUTCEGTN-MRXNPFEDSA-N 1 0 384.274 2.732 20 0 GFADRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NS(=O)(=O)/C=C/c1ccccc1Br ZINC000765209811 656137213 /nfs/dbraw/zinc/13/72/13/656137213.db2.gz VJGGKHRJGLGGKT-KEVMOQNWSA-N 1 0 385.327 2.822 20 0 GFADRO O=C(NCCC[NH+]1CCCC1)c1cc(=O)c2cc(Br)ccc2o1 ZINC000841018244 661228768 /nfs/dbraw/zinc/22/87/68/661228768.db2.gz GJHNIDDMDYYAAE-UHFFFAOYSA-N 1 0 379.254 2.771 20 0 GFADRO C[C@H](NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccccc1I ZINC000765795944 656152503 /nfs/dbraw/zinc/15/25/03/656152503.db2.gz GKLGMYOBAMCLRY-MJBXVCDLSA-N 1 0 386.277 2.805 20 0 GFADRO O=C(CCn1cc(Br)cn1)OC[C@H]1CCC[N@@H+]1Cc1ccco1 ZINC000765966537 656156901 /nfs/dbraw/zinc/15/69/01/656156901.db2.gz GNNQURRRZIUZPD-CQSZACIVSA-N 1 0 382.258 2.837 20 0 GFADRO COC1CC[NH+](C(C)(C)CNC(=O)Nc2ccc(Br)nc2)CC1 ZINC000766166175 656163385 /nfs/dbraw/zinc/16/33/85/656163385.db2.gz KQZKWMWIGOQFMW-UHFFFAOYSA-N 1 0 385.306 2.855 20 0 GFADRO O=C(c1ccc(Cl)nc1C(F)(F)F)N1CC[NH+](C2CCOCC2)CC1 ZINC000766766786 656182856 /nfs/dbraw/zinc/18/28/56/656182856.db2.gz QMHZMILWXCTNJD-UHFFFAOYSA-N 1 0 377.794 2.691 20 0 GFADRO C[NH+](C)CC1CCN(S(=O)(=O)c2cc3ccc(Cl)nc3cc2F)CC1 ZINC000766846468 656186054 /nfs/dbraw/zinc/18/60/54/656186054.db2.gz LFGOWVLIWHXCKJ-UHFFFAOYSA-N 1 0 385.892 2.990 20 0 GFADRO C[NH+](C)CCCC1CCN(S(=O)(=O)c2c(Cl)nc3sccn32)CC1 ZINC000766857451 656186425 /nfs/dbraw/zinc/18/64/25/656186425.db2.gz TZMPUPDUUOJCGR-UHFFFAOYSA-N 1 0 390.962 2.792 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)Nc2cnc(Br)c(Br)c2)C1 ZINC000841142420 661237270 /nfs/dbraw/zinc/23/72/70/661237270.db2.gz OGHCCWZTHHUKEH-JGVFFNPUSA-N 1 0 392.095 2.808 20 0 GFADRO C[NH2+][C@@H]1CCCN(C(=O)Nc2cnc(Br)c(Br)c2)C1 ZINC000841142904 661237817 /nfs/dbraw/zinc/23/78/17/661237817.db2.gz SVKPOKVJUACITM-MRVPVSSYSA-N 1 0 392.095 2.822 20 0 GFADRO C[NH+](C)CCn1cc(NC(=O)Nc2cnc(Cl)c(Br)c2)cn1 ZINC000767905653 656226275 /nfs/dbraw/zinc/22/62/75/656226275.db2.gz DANADMZBYHDATB-UHFFFAOYSA-N 1 0 387.669 2.900 20 0 GFADRO C[C@H]([NH2+]CCS(=O)(=O)C(C)(C)C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000768226277 656235181 /nfs/dbraw/zinc/23/51/81/656235181.db2.gz KDJYKXATZORXGI-AWEZNQCLSA-N 1 0 376.563 2.825 20 0 GFADRO [NH3+]C[C@H]1CCCN(C(=O)C(=O)Nc2ccc3cc(Br)ccc3c2)C1 ZINC000841158560 661239761 /nfs/dbraw/zinc/23/97/61/661239761.db2.gz SHOHSZHQQUZUGN-GFCCVEGCSA-N 1 0 390.281 2.738 20 0 GFADRO O=C(NC[C@H]1CCC[NH2+]C1)C(=O)Nc1cccc(Cl)c1SC(F)F ZINC000841158872 661239953 /nfs/dbraw/zinc/23/99/53/661239953.db2.gz ULOJCJFPFPKJDM-VIFPVBQESA-N 1 0 377.844 2.709 20 0 GFADRO Cc1nc(Cc2nn(CN3CCC[C@@H]4C[N@H+](C)CC[C@@H]43)c(=S)o2)cs1 ZINC000768501818 656240253 /nfs/dbraw/zinc/24/02/53/656240253.db2.gz XAJWHLHIYICJLU-HIFRSBDPSA-N 1 0 379.555 2.935 20 0 GFADRO C[C@H]1C[NH+](CCCCNc2ccc(S(=O)(=O)C(F)F)cc2)C[C@H](C)O1 ZINC000768535140 656241114 /nfs/dbraw/zinc/24/11/14/656241114.db2.gz OHQNXGWEXRYXHU-KBPBESRZSA-N 1 0 376.469 2.984 20 0 GFADRO [NH3+][C@@H]1CCC[C@H](NC(=O)C(=O)Nc2ccc3cc(Br)ccc3c2)C1 ZINC000841225505 661245754 /nfs/dbraw/zinc/24/57/54/661245754.db2.gz ZXQPBXYRCRHWES-CABCVRRESA-N 1 0 390.281 2.927 20 0 GFADRO CC[NH2+][C@H](C)CNC(=O)C(=O)Nc1ccc2cc(Br)ccc2c1 ZINC000841229623 661246387 /nfs/dbraw/zinc/24/63/87/661246387.db2.gz NIOKVAPYCIIAEL-LLVKDONJSA-N 1 0 378.270 2.655 20 0 GFADRO C[NH+](C)CC(C)(C)CNC(=S)NNc1ccc(Br)c(F)c1 ZINC000769762452 656290413 /nfs/dbraw/zinc/29/04/13/656290413.db2.gz CBZLZBVXHNYBEP-UHFFFAOYSA-N 1 0 377.327 2.967 20 0 GFADRO CS[C@@H]1CN(c2ccc(S(=O)(=O)C(F)(F)F)cc2)C[C@@H]1[NH+]1CCCC1 ZINC000772576606 656383345 /nfs/dbraw/zinc/38/33/45/656383345.db2.gz HCMRZTJJGFESTN-LSDHHAIUSA-N 1 0 394.484 2.996 20 0 GFADRO C[NH+]1CCC(CNC(=O)c2cc(=O)c3cc(Br)ccc3o2)CC1 ZINC000841385272 661257414 /nfs/dbraw/zinc/25/74/14/661257414.db2.gz BPFRDFQNGRKJJB-UHFFFAOYSA-N 1 0 379.254 2.627 20 0 GFADRO CCNS(=O)(=O)CC[NH2+][C@H]1CCCc2nc(-c3ccccc3F)sc21 ZINC000772979235 656396337 /nfs/dbraw/zinc/39/63/37/656396337.db2.gz PQFQGGYXOKKWIS-AWEZNQCLSA-N 1 0 383.514 2.856 20 0 GFADRO COc1cc(Cl)ccc1NC(=O)C(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000773145535 656401185 /nfs/dbraw/zinc/40/11/85/656401185.db2.gz NBQNMBIKCLMKPA-CYBMUJFWSA-N 1 0 381.885 2.768 20 0 GFADRO C[C@H]1CC[N@H+](CCNC(=O)c2cc(=O)c3cc(Br)ccc3o2)C1 ZINC000841400513 661260497 /nfs/dbraw/zinc/26/04/97/661260497.db2.gz VXGROBPZCFFOFL-NSHDSACASA-N 1 0 379.254 2.627 20 0 GFADRO CN(CC1CC[NH+](C)CC1)Cn1c(=O)oc2cc(Br)c(F)cc21 ZINC000773301116 656408820 /nfs/dbraw/zinc/40/88/20/656408820.db2.gz FSQDFDWTQZJFMC-UHFFFAOYSA-N 1 0 386.265 2.727 20 0 GFADRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1cc(=O)c2cc(Br)ccc2o1 ZINC000841401516 661260653 /nfs/dbraw/zinc/26/06/53/661260653.db2.gz DMNYXOMLAKCFLV-QMTHXVAHSA-N 1 0 391.265 2.768 20 0 GFADRO CN(Cn1c(=O)oc2cc(Br)c(F)cc21)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000773305088 656409689 /nfs/dbraw/zinc/40/96/89/656409689.db2.gz VIFQGANUTNYVQH-LLVKDONJSA-N 1 0 384.249 2.622 20 0 GFADRO C[C@@H]1CN(C(=O)CCSc2nc3ccccc3s2)[C@@H](C)C[N@@H+]1CCO ZINC000841452856 661267368 /nfs/dbraw/zinc/26/73/68/661267368.db2.gz FMCNQHLYTAUMHZ-KGLIPLIRSA-N 1 0 379.551 2.692 20 0 GFADRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)c1cc(C(F)(F)F)cc(Cl)n1 ZINC000774099326 656492003 /nfs/dbraw/zinc/49/20/03/656492003.db2.gz FNZODEOKUWYGNB-JTQLQIEISA-N 1 0 379.810 2.671 20 0 GFADRO Cc1cc(Br)cc(C[NH2+]C[C@@H]2CCC[C@]23NC(=O)N(C)C3=O)c1 ZINC000774998381 656583736 /nfs/dbraw/zinc/58/37/36/656583736.db2.gz COZUTECJLKQBOH-GUYCJALGSA-N 1 0 380.286 2.568 20 0 GFADRO O=S(=O)(c1cccc2scnc21)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000841506995 661278341 /nfs/dbraw/zinc/27/83/41/661278341.db2.gz FZPHPOIDKLLFQO-HIFRSBDPSA-N 1 0 377.535 2.934 20 0 GFADRO CS[C@@H]1CN(S(=O)(=O)c2ccc3sc(Cl)nc3c2)C[C@H]1[NH+](C)C ZINC000841511295 661281060 /nfs/dbraw/zinc/28/10/60/661281060.db2.gz BJYQQEGOEHRMII-DGCLKSJQSA-N 1 0 391.971 2.616 20 0 GFADRO CS[C@H]1CN(S(=O)(=O)c2ccc3sc(Cl)nc3c2)C[C@@H]1[NH+](C)C ZINC000841511294 661281285 /nfs/dbraw/zinc/28/12/85/661281285.db2.gz BJYQQEGOEHRMII-AAEUAGOBSA-N 1 0 391.971 2.616 20 0 GFADRO CC(C)(C)OC(=O)N1CCN(CC[NH2+][C@@H]2CC[C@@H]3SCCS[C@H]23)CC1 ZINC000775379727 656634569 /nfs/dbraw/zinc/63/45/69/656634569.db2.gz JPBOZVXBBGVKHR-OWCLPIDISA-N 1 0 387.615 2.508 20 0 GFADRO C[C@H](CS(C)(=O)=O)[NH2+]CCSc1ncc(C(F)(F)F)cc1Cl ZINC000775384465 656635286 /nfs/dbraw/zinc/63/52/86/656635286.db2.gz TUFNHDKELSLGLT-MRVPVSSYSA-N 1 0 376.853 2.869 20 0 GFADRO Cc1cc(S(=O)(=O)NCC[NH2+][C@@H]2CC[C@H]3SCCS[C@@H]23)c(C)s1 ZINC000775415618 656638013 /nfs/dbraw/zinc/63/80/13/656638013.db2.gz TVXKUWDHDWLLRO-NFAWXSAZSA-N 1 0 392.637 2.612 20 0 GFADRO COc1ccc(CN2CC[C@H]([NH2+][C@@H]3CC[C@@H]4SCCS[C@@H]34)C2=O)cc1 ZINC000775409499 656638054 /nfs/dbraw/zinc/63/80/54/656638054.db2.gz NCWJSXYKKKCSID-OWSLCNJRSA-N 1 0 378.563 2.765 20 0 GFADRO O=C([C@H]1CCC[N@@H+](C[C@@H](O)c2ccc(F)c(Br)c2)C1)N1CCCC1 ZINC000775602076 656654190 /nfs/dbraw/zinc/65/41/90/656654190.db2.gz LQCMKZXZDISRAT-WMLDXEAASA-N 1 0 399.304 2.956 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)C[C@@H]1C ZINC000775710441 656670231 /nfs/dbraw/zinc/67/02/31/656670231.db2.gz KMFDRLCEZPKAHG-IUCAKERBSA-N 1 0 386.386 2.875 20 0 GFADRO Cc1cnc(Br)cc1NC(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000776052183 656708695 /nfs/dbraw/zinc/70/86/95/656708695.db2.gz GDYYPXTUCTZEKX-GJZGRUSLSA-N 1 0 397.317 2.652 20 0 GFADRO COCCNC(=S)C(C(=O)c1nccs1)[n+]1ccc2c(c1)CCCC2 ZINC000777611023 656830274 /nfs/dbraw/zinc/83/02/74/656830274.db2.gz WDYDWINEFMPZLK-UHFFFAOYSA-O 1 0 376.527 2.757 20 0 GFADRO CS(=O)(=O)N1CC(C[NH2+][C@H]2CCC[C@@H]2c2ccccc2C(F)(F)F)C1 ZINC000779078810 656898625 /nfs/dbraw/zinc/89/86/25/656898625.db2.gz XIDOURGKBGCRCS-ZBFHGGJFSA-N 1 0 376.444 2.823 20 0 GFADRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3cn(C(C)(C)C)nc3Br)CC[C@H]21 ZINC000780649780 657021224 /nfs/dbraw/zinc/02/12/24/657021224.db2.gz NYNAUGGNYSANQG-GXTWGEPZSA-N 1 0 383.334 2.957 20 0 GFADRO C[C@H](CNS(=O)(=O)c1cc(Br)ccc1F)[NH+]1CCCCC1 ZINC000780716963 657025456 /nfs/dbraw/zinc/02/54/56/657025456.db2.gz ATOCKTMMVJMFKQ-LLVKDONJSA-N 1 0 379.295 2.741 20 0 GFADRO COc1ccc(C(=O)NC[C@H](c2ccsc2)[NH+](C)C)nc1Br ZINC000781939841 657091216 /nfs/dbraw/zinc/09/12/16/657091216.db2.gz SLRLHOUKPLSJOE-GFCCVEGCSA-N 1 0 384.299 2.947 20 0 GFADRO COc1ccc(OC)c([C@H](O)C[NH2+][C@@H](CO)c2cccc(Br)c2)c1 ZINC000782081507 657100972 /nfs/dbraw/zinc/10/09/72/657100972.db2.gz ACCKEVOESFEGPP-DLBZAZTESA-N 1 0 396.281 2.823 20 0 GFADRO C[C@@H](SCCSCCO)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000783614903 657247300 /nfs/dbraw/zinc/24/73/00/657247300.db2.gz PHCGAZRDRXERAB-MRXNPFEDSA-N 1 0 382.595 2.614 20 0 GFADRO C[NH+](C)CCN1CCC(NC(=S)Nc2ccc(Br)cc2)CC1 ZINC000783722991 657254068 /nfs/dbraw/zinc/25/40/68/657254068.db2.gz QBNPXHFHYAKWAA-UHFFFAOYSA-N 1 0 385.375 2.762 20 0 GFADRO CC[NH+]1CCN(c2ccc(NCc3c(Br)cnn3C)cc2)CC1 ZINC000785431418 657364128 /nfs/dbraw/zinc/36/41/28/657364128.db2.gz DUPZFBQAKJVYIF-UHFFFAOYSA-N 1 0 378.318 2.937 20 0 GFADRO C[C@H]([NH2+]Cc1cc(Br)nn1C)c1ccc(N2CCOC2=O)cc1 ZINC000785438080 657364793 /nfs/dbraw/zinc/36/47/93/657364793.db2.gz BQPAUMOPQOGVCW-NSHDSACASA-N 1 0 379.258 2.990 20 0 GFADRO C[C@H](c1ccncc1)N1CCC([NH2+]Cc2cc(Br)nn2C)CC1 ZINC000785494318 657369553 /nfs/dbraw/zinc/36/95/53/657369553.db2.gz AFRBAIOYRKPIHT-CYBMUJFWSA-N 1 0 378.318 2.893 20 0 GFADRO C[C@@H]([NH2+]Cc1ccc(S(C)(=O)=O)s1)c1cccc(N2CCOC2=O)c1 ZINC000786964663 657497524 /nfs/dbraw/zinc/49/75/24/657497524.db2.gz ZOAJPJBSHIIVRH-GFCCVEGCSA-N 1 0 380.491 2.959 20 0 GFADRO CC(C)[NH+]1CCN(CCCOC(=O)Cc2ccc(Br)cc2)CC1 ZINC000787574386 657571829 /nfs/dbraw/zinc/57/18/29/657571829.db2.gz TZQUXVQWIDSERT-UHFFFAOYSA-N 1 0 383.330 2.951 20 0 GFADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@H]1COC2(CCCCC2)O1 ZINC000787757061 657595316 /nfs/dbraw/zinc/59/53/16/657595316.db2.gz BKATVDKXMFTJPD-HIFRSBDPSA-N 1 0 385.302 2.665 20 0 GFADRO O=C(CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O)OCCC[NH+]1CCCC1 ZINC000787981717 657630298 /nfs/dbraw/zinc/63/02/98/657630298.db2.gz FMDLZYYJWBBKFI-UHFFFAOYSA-N 1 0 385.247 2.619 20 0 GFADRO C[C@H](Sc1nc2ccccc2s1)C(=O)N1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000788205180 657670387 /nfs/dbraw/zinc/67/03/87/657670387.db2.gz MVDIVSZIFNRZBQ-SCLBCKFNSA-N 1 0 379.551 2.692 20 0 GFADRO C[C@H]1C[C@@H](NC(=O)c2cc(Br)n[nH]2)CC[N@@H+]1Cc1ccccc1 ZINC000788303939 657693650 /nfs/dbraw/zinc/69/36/50/657693650.db2.gz HGTRWMSHJHVOHI-JSGCOSHPSA-N 1 0 377.286 2.955 20 0 GFADRO COc1cc(C(=O)N2C[C@H]([NH+](C)C)Cc3ccccc32)cnc1Br ZINC000788447005 657719503 /nfs/dbraw/zinc/71/95/03/657719503.db2.gz OQPUCEPCIJLABN-CQSZACIVSA-N 1 0 390.281 2.986 20 0 GFADRO COC(=O)c1sc(S(=O)(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)c(C)c1Cl ZINC000788648491 657761682 /nfs/dbraw/zinc/76/16/82/657761682.db2.gz ZPHFYTQVSKOWLV-WDEREUQCSA-N 1 0 394.946 2.648 20 0 GFADRO C[NH+](C)Cc1ccc(S(=O)(=O)NC[C@](C)(O)c2cccc(Cl)c2)cc1 ZINC000788670010 657769267 /nfs/dbraw/zinc/76/92/67/657769267.db2.gz RNOMRJRNRLRBLJ-SFHVURJKSA-N 1 0 382.913 2.588 20 0 GFADRO C[C@@H]([NH2+]CC(=O)Nc1ccc(I)cc1)c1cc[nH]c(=O)c1 ZINC000788814974 657787227 /nfs/dbraw/zinc/78/72/27/657787227.db2.gz BLQIEGZEFILPCX-SNVBAGLBSA-N 1 0 397.216 2.681 20 0 GFADRO COC(=O)c1cc(S(=O)(=O)N[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)ccc1Cl ZINC000788914235 657796926 /nfs/dbraw/zinc/79/69/26/657796926.db2.gz VBMICIUBOMBKGZ-OLZOCXBDSA-N 1 0 388.917 2.525 20 0 GFADRO C[N@H+](C[C@@H](O)c1ccccc1Br)C1CCN(c2cnccn2)CC1 ZINC000789367771 657842544 /nfs/dbraw/zinc/84/25/44/657842544.db2.gz WTMDOUISTLCOGB-QGZVFWFLSA-N 1 0 391.313 2.873 20 0 GFADRO Cc1ccc(S(=O)(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)c(Cl)n1 ZINC000790049206 657920688 /nfs/dbraw/zinc/92/06/88/657920688.db2.gz TZAOEBFWIYMTAT-XJKSGUPXSA-N 1 0 379.913 2.842 20 0 GFADRO CC(C)[C@@H](CNC(=O)c1cnc(Br)c(Cl)c1)N1CCOCC1 ZINC000790169202 657934160 /nfs/dbraw/zinc/93/41/60/657934160.db2.gz IDEVMQITIVGKES-CYBMUJFWSA-N 1 0 390.709 2.584 20 0 GFADRO CC(C)(C)c1cnc(C[NH2+]C2CCN(S(=O)(=O)C(F)(F)F)CC2)s1 ZINC000790472252 657988984 /nfs/dbraw/zinc/98/89/84/657988984.db2.gz MODBVURJQDODNJ-UHFFFAOYSA-N 1 0 385.477 2.844 20 0 GFADRO Cc1nc(F)ccc1C[NH2+]CC(=O)Nc1ccc(I)cc1 ZINC000790610447 658002224 /nfs/dbraw/zinc/00/22/24/658002224.db2.gz RYCZVTIVNLAILJ-UHFFFAOYSA-N 1 0 399.207 2.862 20 0 GFADRO COc1cccc([C@H](CNC(=O)Cc2cccnc2Br)[NH+](C)C)c1 ZINC000791300283 658078243 /nfs/dbraw/zinc/07/82/43/658078243.db2.gz IWFJIUNRJVVVBU-INIZCTEOSA-N 1 0 392.297 2.814 20 0 GFADRO Cn1ncc(C(=O)OCC2CC[NH+](Cc3ccco3)CC2)c1Br ZINC000791850264 658193778 /nfs/dbraw/zinc/19/37/78/658193778.db2.gz VNOVBACFIJHCAD-UHFFFAOYSA-N 1 0 382.258 2.845 20 0 GFADRO COC(=O)[C@@H](c1ccc(Cl)c(Cl)c1)N1CC[NH+](CCCCO)CC1 ZINC000792253644 658258024 /nfs/dbraw/zinc/25/80/24/658258024.db2.gz GOKLCPFMUGBGKN-MRXNPFEDSA-N 1 0 375.296 2.598 20 0 GFADRO CC[S@](=O)CC[NH2+][C@H](C)CCc1ccc(I)cc1 ZINC000792988239 658342096 /nfs/dbraw/zinc/34/20/96/658342096.db2.gz WCZZBRZBQYUUGH-XIKOKIGWSA-N 1 0 379.307 2.971 20 0 GFADRO CCOC(=O)C(F)(F)[C@@H]1CC[C@@H]([NH2+]Cc2ccc(S(=O)(=O)CC)s2)C1 ZINC000793208119 658371621 /nfs/dbraw/zinc/37/16/21/658371621.db2.gz XKISIHJKJVFCIE-VXGBXAGGSA-N 1 0 395.493 2.998 20 0 GFADRO Cc1nc(SC(F)F)sc1CC(=O)N(CC[NH+](C)C)C[C@H]1CCCO1 ZINC000793437140 658396354 /nfs/dbraw/zinc/39/63/54/658396354.db2.gz SQCLGXGWPHNUDY-GFCCVEGCSA-N 1 0 393.525 2.878 20 0 GFADRO CCS[C@@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1sc2c(c1C(N)=O)CCCC2 ZINC000794603500 658575386 /nfs/dbraw/zinc/57/53/86/658575386.db2.gz DWHLMKPZZGHDRJ-GXTWGEPZSA-N 1 0 381.567 2.928 20 0 GFADRO COc1c[nH+]ccc1N1CCN(Cn2nc(OC(C)C)sc2=S)CC1 ZINC000794700604 658598494 /nfs/dbraw/zinc/59/84/94/658598494.db2.gz PTQWMHOHWMHEGR-UHFFFAOYSA-N 1 0 381.527 2.645 20 0 GFADRO O=S(=O)(Cc1ccc(Cl)c(F)c1)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000795110991 658675292 /nfs/dbraw/zinc/67/52/92/658675292.db2.gz XYLMUONSIVLZLD-OAHLLOKOSA-N 1 0 390.908 2.542 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CNC(=S)Nc1cccc(C(=O)NC)c1Br ZINC000795164510 658697360 /nfs/dbraw/zinc/69/73/60/658697360.db2.gz CVFGOAWSXXPAGG-NSHDSACASA-N 1 0 399.358 2.579 20 0 GFADRO CC(C)C[N@@H+]1CCO[C@@H](COC(=O)COc2ccc(Br)cc2)C1 ZINC000795480097 658824247 /nfs/dbraw/zinc/82/42/47/658824247.db2.gz QZZSZVQJDUXKSG-MRXNPFEDSA-N 1 0 386.286 2.728 20 0 GFADRO COC(=O)c1c2cnn(C[N@@H+](C)[C@H]3C[C@@H](OC)C3)c2ccc1Br ZINC000795670480 658840290 /nfs/dbraw/zinc/84/02/90/658840290.db2.gz IBXUOSJDCIWPSU-PHIMTYICSA-N 1 0 382.258 2.652 20 0 GFADRO CC(=O)N(c1nn(CN2C[C@@H]([NH+]3CCCC3)C[C@H]2C)c(=S)s1)C1CC1 ZINC000795707131 658843543 /nfs/dbraw/zinc/84/35/43/658843543.db2.gz XYJVTHCGMRDAID-DOMZBBRYSA-N 1 0 381.571 2.705 20 0 GFADRO CC[C@@H]([NH2+]CCOc1cccnc1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000795795662 658852579 /nfs/dbraw/zinc/85/25/79/658852579.db2.gz OXFJPWYGBOLOGP-MRXNPFEDSA-N 1 0 383.901 2.763 20 0 GFADRO CC[C@H]([NH2+]C[C@H](OC)C(F)(F)F)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000795811516 658853898 /nfs/dbraw/zinc/85/38/98/658853898.db2.gz NHRUQPWJRHOXLO-AAEUAGOBSA-N 1 0 388.839 2.866 20 0 GFADRO COC(=O)c1cc(S(=O)(=O)N[C@H](C)C(C)(C)C[NH+](C)C)c(F)cc1Cl ZINC000795880233 658866776 /nfs/dbraw/zinc/86/67/76/658866776.db2.gz JCUAEKZTOVFCMM-SNVBAGLBSA-N 1 0 394.896 2.520 20 0 GFADRO FC(F)(F)[C@H](C[NH2+]Cc1c(Cl)nc2cc(Cl)ccn21)N1CCOCC1 ZINC000796517021 658921526 /nfs/dbraw/zinc/92/15/26/658921526.db2.gz RBYJCGIPWZYEMW-LBPRGKRZSA-N 1 0 397.228 2.994 20 0 GFADRO CC(C)(C)OC(=O)N1CCO[C@H]([C@@H]([NH2+]C[C@H]2CSCCS2)C2CC2)C1 ZINC000796793320 658939387 /nfs/dbraw/zinc/93/93/87/658939387.db2.gz NDKOSVHZTIOBMG-JYJNAYRXSA-N 1 0 388.599 2.839 20 0 GFADRO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC000797468210 659027751 /nfs/dbraw/zinc/02/77/51/659027751.db2.gz JWBDBQVYOXJSNF-NEPJUHHUSA-N 1 0 381.876 2.730 20 0 GFADRO CC1=C(Br)CN(C(=O)[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000797777618 659050103 /nfs/dbraw/zinc/05/01/03/659050103.db2.gz PEMAGILLVQBUSF-GOSISDBHSA-N 1 0 379.298 2.525 20 0 GFADRO C[NH+](C)CCOC1CCN(C(=O)c2cc(C(F)(F)F)cc(Cl)n2)CC1 ZINC000798170788 659078239 /nfs/dbraw/zinc/07/82/39/659078239.db2.gz SKRUQEAUPNOEDP-UHFFFAOYSA-N 1 0 379.810 2.937 20 0 GFADRO CC[NH+](CC)CC[C@@H](CO)Nc1ccc(F)cc1S(=O)(=O)C(F)(F)F ZINC000798215859 659082258 /nfs/dbraw/zinc/08/22/58/659082258.db2.gz QYBXIHNVBFMECJ-LBPRGKRZSA-N 1 0 386.411 2.624 20 0 GFADRO COCCC[NH+]1CCC(NC(=O)c2cc(C(F)(F)F)cc(Cl)n2)CC1 ZINC000798287375 659092170 /nfs/dbraw/zinc/09/21/70/659092170.db2.gz GTVOIJPEFGMRKF-UHFFFAOYSA-N 1 0 379.810 2.985 20 0 GFADRO COc1ccc2nc(Cl)ccc2c1S(=O)(=O)NC1(C[NH+](C)C)CCC1 ZINC000798470663 659110172 /nfs/dbraw/zinc/11/01/72/659110172.db2.gz IPUYVTRBMHOPHN-UHFFFAOYSA-N 1 0 383.901 2.659 20 0 GFADRO CCN(CC)c1ncc(C[NH+]2CCC(CNC(=O)C(F)(F)F)CC2)s1 ZINC000798955967 659158054 /nfs/dbraw/zinc/15/80/54/659158054.db2.gz AXIKWNYTVSDSFX-UHFFFAOYSA-N 1 0 378.464 2.880 20 0 GFADRO COc1cc(/C=C\C(=O)NC2(C[NH+](C)C)CCC2)cc(Br)c1O ZINC000799037978 659160970 /nfs/dbraw/zinc/16/09/70/659160970.db2.gz AMKVBCMJGNDXIC-WAYWQWQTSA-N 1 0 383.286 2.777 20 0 GFADRO C[NH+]1CCN(c2ccccc2NC(=O)N2CCC=C(Br)C2)CC1 ZINC000799382251 659185868 /nfs/dbraw/zinc/18/58/68/659185868.db2.gz IXNOQIPKAZAHIM-UHFFFAOYSA-N 1 0 379.302 2.955 20 0 GFADRO CN1CCC(CNC(=O)N2CCC=C(Br)C2)([NH+]2CCCCC2)CC1 ZINC000799595281 659200569 /nfs/dbraw/zinc/20/05/69/659200569.db2.gz DBJOXWSCPAWSSD-UHFFFAOYSA-N 1 0 399.377 2.631 20 0 GFADRO CS(=O)(=O)CCOCC[NH2+][C@@H]1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000799719982 659217344 /nfs/dbraw/zinc/21/73/44/659217344.db2.gz GBYUCTIBXICVJS-GOEBONIOSA-N 1 0 379.444 2.992 20 0 GFADRO O=C(CC[NH+]1CCN(c2ccccc2)CC1)N1CCC=C(Br)C1 ZINC000799738421 659219226 /nfs/dbraw/zinc/21/92/26/659219226.db2.gz YPHQZXFBFFVCJA-UHFFFAOYSA-N 1 0 378.314 2.710 20 0 GFADRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)NC[C@H](O)c1cccc(Br)c1 ZINC000799924419 659244965 /nfs/dbraw/zinc/24/49/65/659244965.db2.gz QECOXTDKMSOKNP-CVEARBPZSA-N 1 0 384.318 2.656 20 0 GFADRO CC(C)(C)OC(=O)Nc1ncc(C[NH2+][C@@H]2CCC[C@H](S(C)(=O)=O)C2)s1 ZINC000800241357 659296041 /nfs/dbraw/zinc/29/60/41/659296041.db2.gz NDKCZIBFJPJWQW-YPMHNXCESA-N 1 0 389.543 2.936 20 0 GFADRO CC[NH+](CC)C[C@@H]1CCN(S(=O)(=O)c2cc3c(cc2Cl)CCC3=O)C1 ZINC000800919566 659349164 /nfs/dbraw/zinc/34/91/64/659349164.db2.gz TYGNTBOZQMVKGN-ZDUSSCGKSA-N 1 0 384.929 2.821 20 0 GFADRO C[NH+](C)CCC1CCN(S(=O)(=O)c2cc3c(cc2Cl)CCC3=O)CC1 ZINC000800928638 659351611 /nfs/dbraw/zinc/35/16/11/659351611.db2.gz QISXPJFAOSRXTG-UHFFFAOYSA-N 1 0 384.929 2.821 20 0 GFADRO Cc1nn(C)c(Br)c1C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000800968298 659360550 /nfs/dbraw/zinc/36/05/50/659360550.db2.gz JHLFSXZLAHETDK-HNNXBMFYSA-N 1 0 391.313 2.743 20 0 GFADRO Cc1nn(C)c(Br)c1C(=O)N[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000801099587 659368598 /nfs/dbraw/zinc/36/85/98/659368598.db2.gz VVFATMKIZDGWBG-DOMZBBRYSA-N 1 0 391.313 2.884 20 0 GFADRO O=C(NC[C@@H](O)c1cccc(Br)c1)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000801765505 659425112 /nfs/dbraw/zinc/42/51/12/659425112.db2.gz OQTGUQUKWKCHLM-DLBZAZTESA-N 1 0 396.329 2.799 20 0 GFADRO O=C(COC(=O)C1CC[NH+](C2CC2)CC1)Nc1ccccc1Br ZINC000801875703 659432046 /nfs/dbraw/zinc/43/20/46/659432046.db2.gz ZXKFQHZNFGDAHA-UHFFFAOYSA-N 1 0 381.270 2.805 20 0 GFADRO CC(C)[N@@H+]1CCO[C@@H](COC(=O)c2ccccc2I)C1 ZINC000802133471 659448231 /nfs/dbraw/zinc/44/82/31/659448231.db2.gz VJYBNSZMAUEHQO-GFCCVEGCSA-N 1 0 389.233 2.557 20 0 GFADRO CC(C)[N@@H+]1CCO[C@@H](COC(=O)[C@@H](C)Oc2cccc(Br)c2)C1 ZINC000802138455 659449256 /nfs/dbraw/zinc/44/92/56/659449256.db2.gz HUSPJIXAMSDJSC-CZUORRHYSA-N 1 0 386.286 2.869 20 0 GFADRO COc1ccc([C@H](C[NH+](C)C)NC(=O)c2cccc(Br)n2)cc1 ZINC000803806941 659606361 /nfs/dbraw/zinc/60/63/61/659606361.db2.gz FAGWVJVBHWNACT-HNNXBMFYSA-N 1 0 378.270 2.885 20 0 GFADRO Cc1nc(Cl)c(Cl)cc1C(=O)OCC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000805719706 659806477 /nfs/dbraw/zinc/80/64/77/659806477.db2.gz JTLHEYBEDLLSAM-UHFFFAOYSA-N 1 0 388.295 2.843 20 0 GFADRO CNC(=O)OC[C@H]1CCCC[N@@H+]1C[C@@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000805828550 659808167 /nfs/dbraw/zinc/80/81/67/659808167.db2.gz KUVYBCHGFXLNNB-CHWSQXEVSA-N 1 0 391.295 2.944 20 0 GFADRO C[NH+](C)CC(C)(C)CNC(=S)NC[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000806594175 659836623 /nfs/dbraw/zinc/83/66/23/659836623.db2.gz NHSLRWAKLWGOBC-AWEZNQCLSA-N 1 0 377.476 2.791 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CNC(=S)NC[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000806594042 659836731 /nfs/dbraw/zinc/83/67/31/659836731.db2.gz MKFTXCADKHUPKY-GJZGRUSLSA-N 1 0 375.460 2.687 20 0 GFADRO C[NH+](C)[C@]1(CNC(=O)[C@]2(C)CC(c3ccccc3Cl)=NO2)CCSC1 ZINC000807002832 659846080 /nfs/dbraw/zinc/84/60/80/659846080.db2.gz QLFCVVMERNLWDI-ROUUACIJSA-N 1 0 381.929 2.777 20 0 GFADRO O[C@H]1c2ccccc2OC[C@H]1[NH2+]Cc1cc2c(c(Br)c1)OCO2 ZINC000808454263 659894824 /nfs/dbraw/zinc/89/48/24/659894824.db2.gz NWFKQWLHEYLPPN-CJNGLKHVSA-N 1 0 378.222 2.762 20 0 GFADRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]C[C@@H](O)c3cccc(Br)c3)[C@@H]2C1 ZINC000808782690 659905760 /nfs/dbraw/zinc/90/57/60/659905760.db2.gz BFIWYUZWOBOVMR-XOYOTBSWSA-N 1 0 381.314 2.719 20 0 GFADRO CN(C)CC[N@H+](C)CCCNC(=S)Nc1cccc(OC(F)(F)F)c1 ZINC000809161079 659918717 /nfs/dbraw/zinc/91/87/17/659918717.db2.gz TYYQYCRHMIVNFV-UHFFFAOYSA-N 1 0 378.464 2.755 20 0 GFADRO CC(C)(C)OC(=O)NC1CC([NH2+][C@@H](C(N)=O)c2cccc(Br)c2)C1 ZINC000809657870 659935803 /nfs/dbraw/zinc/93/58/03/659935803.db2.gz VKSYSTHBPPRSIT-JXQTWKCFSA-N 1 0 398.301 2.621 20 0 GFADRO CC[NH+](CC)CCS(=O)(=O)Oc1ccc(Br)cc1C(C)=O ZINC000810032378 659957230 /nfs/dbraw/zinc/95/72/30/659957230.db2.gz PSGVBOFJLHEITO-UHFFFAOYSA-N 1 0 378.288 2.702 20 0 GFADRO CCC[N@H+](CC)C[C@H](C)NS(=O)(=O)c1cc(Br)cnc1Cl ZINC000810121073 659963286 /nfs/dbraw/zinc/96/32/86/659963286.db2.gz SVOYXKQYUQBBIV-JTQLQIEISA-N 1 0 398.754 2.896 20 0 GFADRO C[C@@H]([NH2+]CCCN1C(=O)NC2(CCCC2)C1=O)c1ccc(Br)nc1 ZINC000810207788 659966373 /nfs/dbraw/zinc/96/63/73/659966373.db2.gz OJJJQINMIYDEPA-GFCCVEGCSA-N 1 0 395.301 2.749 20 0 GFADRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)c1cc(Cl)ncc1Br ZINC000810433211 659973225 /nfs/dbraw/zinc/97/32/25/659973225.db2.gz ARBNSYFDEVLZFB-NSHDSACASA-N 1 0 390.709 2.680 20 0 GFADRO Cn1nnc(Br)c1C(=O)OCC1CC[NH+](Cc2ccccc2)CC1 ZINC000810549842 659977304 /nfs/dbraw/zinc/97/73/04/659977304.db2.gz QUJZSBIEEPZCJL-UHFFFAOYSA-N 1 0 393.285 2.647 20 0 GFADRO Nc1nc(N2CCC[C@@H](OC(=O)c3ccccc3Br)C2)cc[nH+]1 ZINC000810766275 659985064 /nfs/dbraw/zinc/98/50/64/659985064.db2.gz JSKMGVCLGRCNSO-LLVKDONJSA-N 1 0 377.242 2.647 20 0 GFADRO Cc1cccc(Br)c1C(=O)OCC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000811269747 660005110 /nfs/dbraw/zinc/00/51/10/660005110.db2.gz ACGBGVJKOVEOHZ-UHFFFAOYSA-N 1 0 395.297 2.657 20 0 GFADRO COc1cccc(C(=O)C(C(=S)NCCSC)[n+]2cccc(C)c2)n1 ZINC000811724711 660014838 /nfs/dbraw/zinc/01/48/38/660014838.db2.gz ATXCIOBBLICDQJ-UHFFFAOYSA-O 1 0 376.527 2.850 20 0 GFADRO CSC1(CNC(=O)[C@H]2Cc3cc(Br)ccc3O2)CC[NH+](C)CC1 ZINC000811933467 660018004 /nfs/dbraw/zinc/01/80/04/660018004.db2.gz QGCHIUKEBHHOGC-OAHLLOKOSA-N 1 0 399.354 2.696 20 0 GFADRO CCC[N@H+](CC)C[C@H](C)NC(=O)c1cccnc1I ZINC000812393391 660026100 /nfs/dbraw/zinc/02/61/00/660026100.db2.gz AVUFVRRWHMOAJI-NSHDSACASA-N 1 0 375.254 2.536 20 0 GFADRO CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+]Cc2c(F)ccc(C3OCCO3)c2Cl)C1 ZINC000812833912 660035589 /nfs/dbraw/zinc/03/55/89/660035589.db2.gz DCIULIONMTXMPK-NWDGAFQWSA-N 1 0 391.892 2.970 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)Nc2cn3cc(Br)ncc3n2)C1 ZINC000813176886 660046099 /nfs/dbraw/zinc/04/60/99/660046099.db2.gz OOUXGAIICSRHFE-HNNXBMFYSA-N 1 0 384.253 2.643 20 0 GFADRO C[C@@](O)(C[N@@H+]1CCC[C@H](OCCO)C1)c1ccc(Br)cc1Cl ZINC000815048846 660107102 /nfs/dbraw/zinc/10/71/02/660107102.db2.gz QCIRAGZLPLAELY-XJKSGUPXSA-N 1 0 392.721 2.783 20 0 GFADRO CS(=O)(=O)[C@H]1CCC[C@@H]([NH2+]CC(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000816542770 660160712 /nfs/dbraw/zinc/16/07/12/660160712.db2.gz AIFDVTAOAOYHGM-NEPJUHHUSA-N 1 0 379.309 2.877 20 0 GFADRO CC[S@](=O)CC[NH2+]C1CCC(NC(=O)COc2ccc(Cl)cc2)CC1 ZINC000816551355 660160850 /nfs/dbraw/zinc/16/08/50/660160850.db2.gz YSACDIKYCXHTIX-HRTIZWQRSA-N 1 0 386.945 2.504 20 0 GFADRO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)N1CC[C@@H]2C[N@@H+](C)C[C@H]21 ZINC000816952706 660174331 /nfs/dbraw/zinc/17/43/31/660174331.db2.gz QGALZEQSCNYOGB-BXUZGUMPSA-N 1 0 391.265 2.640 20 0 GFADRO Cc1cc(C[NH+](C)C)cc(NC(=O)c2cc(S(C)(=O)=O)ncc2Cl)c1 ZINC000816955764 660174542 /nfs/dbraw/zinc/17/45/42/660174542.db2.gz MFKKRLZRMDSNOA-UHFFFAOYSA-N 1 0 381.885 2.761 20 0 GFADRO COc1ccc(CCS(=O)(=O)N(CC[NH+](C)C)Cc2ccsc2)cc1 ZINC000841546756 661295819 /nfs/dbraw/zinc/29/58/19/661295819.db2.gz QBQAWZZJSLIUIQ-UHFFFAOYSA-N 1 0 382.551 2.693 20 0 GFADRO COc1ccc(Br)c(CNC(=O)NCc2ccc(CC[NH3+])cc2)c1 ZINC000841719915 661310534 /nfs/dbraw/zinc/31/05/34/661310534.db2.gz QKXVYKBFPNZZPY-UHFFFAOYSA-N 1 0 392.297 2.958 20 0 GFADRO C[C@@H](NC(=O)NCc1ccc(CC[NH3+])cc1)c1ccc(Br)cn1 ZINC000841890482 661317556 /nfs/dbraw/zinc/31/75/56/661317556.db2.gz PARUDQDJVSXZJE-GFCCVEGCSA-N 1 0 377.286 2.906 20 0 GFADRO CN(C[C@@H](O)c1ccccc1Br)C(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000841993874 661319212 /nfs/dbraw/zinc/31/92/12/661319212.db2.gz AXKZPWFTQLKKMC-CKEIUWERSA-N 1 0 398.345 2.889 20 0 GFADRO C[C@H](NC(=O)N[C@@H]1C[NH2+]CCC1(F)F)[C@H](O)c1c(Cl)cccc1Cl ZINC000842006019 661319545 /nfs/dbraw/zinc/31/95/45/661319545.db2.gz UOPJMGKSWMUWSF-KDDOJWQBSA-N 1 0 382.238 2.712 20 0 GFADRO CC1(C)C[NH2+][C@H]1C1CCN(C(=O)c2cc(S(C)(=O)=O)ccc2Cl)CC1 ZINC000842514593 661342766 /nfs/dbraw/zinc/34/27/66/661342766.db2.gz YWGSEGJXSAVEHM-INIZCTEOSA-N 1 0 384.929 2.594 20 0 GFADRO C[NH2+]C[C@H](C)c1noc(C[C@@H](NC(C)=O)c2ccc(Br)cc2)n1 ZINC000842576901 661343958 /nfs/dbraw/zinc/34/39/58/661343958.db2.gz LKHWKSRJMSATHF-IINYFYTJSA-N 1 0 381.274 2.575 20 0 GFADRO C[NH2+]C[C@@H](C)c1noc(-c2ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c2)n1 ZINC000842577634 661344131 /nfs/dbraw/zinc/34/41/31/661344131.db2.gz QJBNDQDANFNRRB-SNVBAGLBSA-N 1 0 386.905 2.790 20 0 GFADRO O=C1c2ccc(Br)cc2C(=O)N1C[N@@H+]1CCC[C@H]1[C@@H]1CCCOC1 ZINC000842615291 661345412 /nfs/dbraw/zinc/34/54/12/661345412.db2.gz LMHTVFQNHLWVOR-WBMJQRKESA-N 1 0 393.281 2.894 20 0 GFADRO O[C@@H]1CCC[C@H]1[NH+]1CCC(NCc2cc(Br)cnc2Cl)CC1 ZINC000842691572 661349726 /nfs/dbraw/zinc/34/97/26/661349726.db2.gz IIYRUXSYADGVOR-HUUCEWRRSA-N 1 0 388.737 2.965 20 0 GFADRO COc1ccc2nc(Cl)ccc2c1S(=O)(=O)N[C@](C)(C[NH3+])CC(C)C ZINC000842722800 661351160 /nfs/dbraw/zinc/35/11/60/661351160.db2.gz OESWQXZIVXTYLL-KRWDZBQOSA-N 1 0 385.917 2.939 20 0 GFADRO CCOc1ccc(Br)cc1S(=O)(=O)NCCCCCC[NH3+] ZINC000842921245 661360418 /nfs/dbraw/zinc/36/04/18/661360418.db2.gz FAIBJHDGASLYGO-UHFFFAOYSA-N 1 0 379.320 2.645 20 0 GFADRO O[C@@H](C[NH2+]C[C@@H](O)c1ccccc1C(F)(F)F)COCc1cccs1 ZINC000843071856 661366345 /nfs/dbraw/zinc/36/63/45/661366345.db2.gz ZPSAOTJVFRBIBV-BLLLJJGKSA-N 1 0 375.412 2.968 20 0 GFADRO Cc1ccccc1[C@@H](O)C[NH2+]C[C@@H](O)COc1cccc(Br)c1 ZINC000843073158 661366355 /nfs/dbraw/zinc/36/63/55/661366355.db2.gz GKWZLAUZXKJEML-QAPCUYQASA-N 1 0 380.282 2.820 20 0 GFADRO C[C@@](O)(C[NH2+]CC1(CO)CCOCC1)c1ccc(Br)cc1Cl ZINC000843075511 661366595 /nfs/dbraw/zinc/36/65/95/661366595.db2.gz KPNAZGCYXLSSRR-OAHLLOKOSA-N 1 0 392.721 2.689 20 0 GFADRO C[C@H]([NH2+]C[C@H](O)c1cccc(Br)c1)[C@H](O)c1ccc2c(c1)OCO2 ZINC000843085992 661366936 /nfs/dbraw/zinc/36/69/36/661366936.db2.gz FETMASHBVAXGDH-GYOIFBIXSA-N 1 0 394.265 2.923 20 0 GFADRO Cc1cccc([C@@H](O)C[NH2+]C[C@@H](O)COc2cccc(Br)c2)c1 ZINC000843085478 661367046 /nfs/dbraw/zinc/36/70/46/661367046.db2.gz BVXPTVNJNXNTFN-AEFFLSMTSA-N 1 0 380.282 2.820 20 0 GFADRO O=S(=O)(CC[NH2+]C[C@@H](O)c1c(F)cccc1Cl)c1ccc(F)cc1 ZINC000843086360 661367253 /nfs/dbraw/zinc/36/72/53/661367253.db2.gz IJIHFVGHMIBEGF-OAHLLOKOSA-N 1 0 375.824 2.715 20 0 GFADRO COc1ccc([C@H](CO)C[NH2+]C[C@H](O)c2cccc(Br)c2)cc1 ZINC000843098044 661367877 /nfs/dbraw/zinc/36/78/77/661367877.db2.gz UMDNKYAMQSVCDB-YJBOKZPZSA-N 1 0 380.282 2.857 20 0 GFADRO CC(C)(C)[C@@H](O)C[C@@H](CO)[NH2+]C[C@](C)(O)c1ccc(Br)cc1F ZINC000843103491 661368099 /nfs/dbraw/zinc/36/80/99/661368099.db2.gz AJRODWMGCCTHSK-NUTKFTJISA-N 1 0 392.309 2.543 20 0 GFADRO O[C@H](C[NH2+]C[C@H]1CCC2(CCOCC2)[C@@H]1O)c1ccc(Br)cc1 ZINC000843112092 661368772 /nfs/dbraw/zinc/36/87/72/661368772.db2.gz DGPQKDBKRVYUAH-DJIMGWMZSA-N 1 0 384.314 2.640 20 0 GFADRO O=C(CC[NH2+][C@H]1COc2ccccc2[C@H]1O)Nc1cccc(Br)c1 ZINC000843117706 661369829 /nfs/dbraw/zinc/36/98/29/661369829.db2.gz SDQPDZUEFNATQH-MAUKXSAKSA-N 1 0 391.265 2.862 20 0 GFADRO Cn1cc([C@@H]([NH2+]C[C@@H](O)c2ccc(Br)cc2)C2(CO)CCC2)cn1 ZINC000843119537 661370010 /nfs/dbraw/zinc/37/00/10/661370010.db2.gz VQEVAGBNPABDRP-IAGOWNOFSA-N 1 0 394.313 2.710 20 0 GFADRO O=C(Nc1nc(Cc2nc(C3CC[NH2+]CC3)no2)cs1)c1cccs1 ZINC000843136637 661370541 /nfs/dbraw/zinc/37/05/41/661370541.db2.gz IIDIYZUGBAKTRU-UHFFFAOYSA-N 1 0 375.479 2.898 20 0 GFADRO COc1ccc(-c2nc(CC3CC[NH2+]CC3)no2)c(I)c1 ZINC000843136562 661370552 /nfs/dbraw/zinc/37/05/52/661370552.db2.gz YWKAHDFALRCAKN-UHFFFAOYSA-N 1 0 399.232 2.892 20 0 GFADRO O=S(=O)(Cc1noc(CC2C[C@H]3CC[C@@H](C2)[NH2+]3)n1)c1ccc(Cl)cc1 ZINC000843195796 661371617 /nfs/dbraw/zinc/37/16/17/661371617.db2.gz BNQWGLBZZIZYIU-QXMXGUDHSA-N 1 0 381.885 2.770 20 0 GFADRO O=S(=O)(Cc1noc(CC[C@@H]2CC[NH2+]C2)n1)c1cc(Cl)ccc1Cl ZINC000843199505 661371697 /nfs/dbraw/zinc/37/16/97/661371697.db2.gz DNCNBFHAPPLSRB-SNVBAGLBSA-N 1 0 390.292 2.892 20 0 GFADRO CC(C)([NH3+])CCc1nc(Cc2nc3ccc(Br)cc3c(=O)[nH]2)no1 ZINC000843201549 661372053 /nfs/dbraw/zinc/37/20/53/661372053.db2.gz ZARZDVBIXCZIQY-UHFFFAOYSA-N 1 0 392.257 2.742 20 0 GFADRO Fc1cccc(Cc2noc([C@@]3(F)CC[NH2+]C3)n2)c1I ZINC000843209788 661372892 /nfs/dbraw/zinc/37/28/92/661372892.db2.gz RWNGMBKJEBOAKP-CYBMUJFWSA-N 1 0 391.159 2.562 20 0 GFADRO COc1nc(-c2noc([C@H]3C[NH2+]Cc4ccccc43)n2)ncc1Br ZINC000843213236 661373240 /nfs/dbraw/zinc/37/32/40/661373240.db2.gz RWVYPMUAQMPIQZ-NSHDSACASA-N 1 0 388.225 2.533 20 0 GFADRO O=C(Cc1noc(C[C@H]2CSCC[NH2+]2)n1)Nc1cc(Cl)cc(Cl)c1 ZINC000843217571 661373313 /nfs/dbraw/zinc/37/33/13/661373313.db2.gz QOJOQMLTNVMTDG-LBPRGKRZSA-N 1 0 387.292 2.805 20 0 GFADRO Fc1ccc(Br)c(F)c1Cc1noc(C[C@H]2CSCC[NH2+]2)n1 ZINC000843227785 661374148 /nfs/dbraw/zinc/37/41/48/661374148.db2.gz GQIVJWISPYWUIW-QMMMGPOBSA-N 1 0 390.253 2.949 20 0 GFADRO [NH3+]C[C@@H](NC(=O)/C=C\c1ccc(I)o1)C1CCCCC1 ZINC000843344863 661378421 /nfs/dbraw/zinc/37/84/21/661378421.db2.gz CDUYDHWITYHCBE-FNOHHLHBSA-N 1 0 388.249 2.921 20 0 GFADRO O=C(CO[C@@H]1CCC[NH2+]C1)Nc1ccnn1Cc1c(Cl)cccc1Cl ZINC000843371064 661378869 /nfs/dbraw/zinc/37/88/69/661378869.db2.gz GZFTYBTXVHJKHO-GFCCVEGCSA-N 1 0 383.279 2.945 20 0 GFADRO Cc1cc([C@@H]([NH3+])CC(=O)N2CCC([C@@H](O)C(F)(F)F)CC2)cc(Cl)n1 ZINC000844202867 661409190 /nfs/dbraw/zinc/40/91/90/661409190.db2.gz OZLAGXAWOZPYRO-SWLSCSKDSA-N 1 0 379.810 2.595 20 0 GFADRO Cc1cc([C@H]([NH3+])CC(=O)N2CCC([C@@H](O)C(F)(F)F)CC2)cc(Cl)n1 ZINC000844202865 661409633 /nfs/dbraw/zinc/40/96/33/661409633.db2.gz OZLAGXAWOZPYRO-IUODEOHRSA-N 1 0 379.810 2.595 20 0 GFADRO O=C(C1SCCCS1)N1CCO[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]21 ZINC000844843315 661444654 /nfs/dbraw/zinc/44/46/54/661444654.db2.gz ZDJXGRQIBMJFJW-IAGOWNOFSA-N 1 0 378.563 2.685 20 0 GFADRO C[NH+](C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)OCC(Cl)(Cl)Cl ZINC000845504732 661475230 /nfs/dbraw/zinc/47/52/30/661475230.db2.gz XBAHNWXPBCYIMA-SECBINFHSA-N 1 0 377.696 2.745 20 0 GFADRO CS/C=C/C(=O)N(CCN(C)C(=O)/C=C\SC)CC[NH+]1CCCCC1 ZINC000846129559 661534092 /nfs/dbraw/zinc/53/40/92/661534092.db2.gz OUWCKCHKWDMDOY-BSHIDLADSA-N 1 0 385.599 2.513 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(C(=O)NCCC[C@@H]3CC3(Cl)Cl)C2)C1 ZINC000846210335 661538482 /nfs/dbraw/zinc/53/84/82/661538482.db2.gz YRLJBVMCBFTFAN-YJNKXOJESA-N 1 0 378.344 2.888 20 0 GFADRO [NH3+]C[C@]12CCC[C@H]1CN(S(=O)(=O)/C=C\c1ccccc1Br)C2 ZINC000846232185 661539270 /nfs/dbraw/zinc/53/92/70/661539270.db2.gz VNFWSKPCYITJLD-ASGCWMPDSA-N 1 0 385.327 2.810 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2S(=O)(=O)Cc2ccc(Cl)c(F)c2)C1 ZINC000846234589 661539479 /nfs/dbraw/zinc/53/94/79/661539479.db2.gz IDIXOISWYPHKAR-XYPHTWIQSA-N 1 0 390.908 2.670 20 0 GFADRO CC(C)Oc1cc(C(=O)N[C@@H]2C[NH2+]CCC2(F)F)ccc1Br ZINC000846679048 661561655 /nfs/dbraw/zinc/56/16/55/661561655.db2.gz RRBNEKSRDHTRRG-CYBMUJFWSA-N 1 0 377.229 2.963 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2C(=O)[C@H](O)c2cc(Cl)cc(Cl)c2)C1 ZINC000846699778 661562251 /nfs/dbraw/zinc/56/22/51/661562251.db2.gz QLNFURIFFCIUTF-WCXIOVBPSA-N 1 0 387.307 2.914 20 0 GFADRO C[NH+](C)[C@H]1C[C@@H](CN2C(=O)N[C@@](C)(c3cccc(Br)c3)C2=O)C1 ZINC000846785374 661566057 /nfs/dbraw/zinc/56/60/57/661566057.db2.gz DYNWITJNUVHTQU-KHIZAZIESA-N 1 0 380.286 2.556 20 0 GFADRO CCN1C[C@@H](C[NH2+][C@](C)(CC(=O)OC)c2ccc(Br)cc2)OC1=O ZINC000846898281 661569784 /nfs/dbraw/zinc/56/97/84/661569784.db2.gz CZNUCZBAVKEXKH-RHSMWYFYSA-N 1 0 399.285 2.658 20 0 GFADRO C[C@@H]1COCC[N@@H+]1C1CCN(C[C@@H](O)c2ccccc2Br)CC1 ZINC000846911508 661570080 /nfs/dbraw/zinc/57/00/80/661570080.db2.gz JGWPYKIRMYZCSM-RDTXWAMCSA-N 1 0 383.330 2.668 20 0 GFADRO O=C(Nc1cccc(Br)n1)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000847166300 661578288 /nfs/dbraw/zinc/57/82/88/661578288.db2.gz BSCIFZNLUQBUES-ZDUSSCGKSA-N 1 0 383.290 2.563 20 0 GFADRO CCC[NH+]1CCC(NC(=O)c2ccccc2S(=O)(=O)C(F)(F)F)CC1 ZINC000847297402 661586480 /nfs/dbraw/zinc/58/64/80/661586480.db2.gz CKKLFFUFMQCYCM-UHFFFAOYSA-N 1 0 378.416 2.584 20 0 GFADRO CSc1cc(Br)ccc1C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000847406067 661590973 /nfs/dbraw/zinc/59/09/73/661590973.db2.gz AAAGDGKUXZUERJ-STQMWFEESA-N 1 0 385.327 2.764 20 0 GFADRO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)c2nc(Cl)sc2Cl)CC1 ZINC000847462960 661593383 /nfs/dbraw/zinc/59/33/83/661593383.db2.gz FLPXJCDDIWQWHE-LLVKDONJSA-N 1 0 377.341 2.692 20 0 GFADRO C[N@@H+]1CC[C@H](CCOC(=O)CCNC(=O)Nc2ccc(Br)cc2)C1 ZINC000847826808 661612365 /nfs/dbraw/zinc/61/23/65/661612365.db2.gz ZKAWPMRLNHEZEY-CYBMUJFWSA-N 1 0 398.301 2.846 20 0 GFADRO COCC[NH+]1CCC(OC(=O)[C@H](C)Oc2ccc(Br)cc2)CC1 ZINC000847886120 661615069 /nfs/dbraw/zinc/61/50/69/661615069.db2.gz XQGHQYKLCKLGJE-ZDUSSCGKSA-N 1 0 386.286 2.870 20 0 GFADRO C[C@H](COC(=O)Cc1ccc(S(=O)(=O)C(F)F)cc1)[NH+]1CCCCC1 ZINC000847964316 661618706 /nfs/dbraw/zinc/61/87/06/661618706.db2.gz YRCNGEZBFFRGKA-CYBMUJFWSA-N 1 0 375.437 2.643 20 0 GFADRO CC[NH+](CC)CC[C@@H](CO)NC(=O)Cc1ccc(Cl)cc1Br ZINC000848025037 661621265 /nfs/dbraw/zinc/62/12/65/661621265.db2.gz MPHANMMKAOYGSD-AWEZNQCLSA-N 1 0 391.737 2.854 20 0 GFADRO CN=[S@](C)(=O)c1cccc(NC(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)c1 ZINC000848206652 661632699 /nfs/dbraw/zinc/63/26/99/661632699.db2.gz DXDZHHAABFALBI-PUAOIOHZSA-N 1 0 381.567 2.929 20 0 GFADRO CCC(C)(C)[NH+]1CCN(C(=O)CN2C(=S)N=NC2c2cccs2)CC1 ZINC000848301202 661639857 /nfs/dbraw/zinc/63/98/57/661639857.db2.gz HHHGFISBRCIXRT-UHFFFAOYSA-N 1 0 379.555 2.628 20 0 GFADRO CCC(C)(C)[NH+]1CCN(C(=O)c2c(Br)nc3n2CCCC3)CC1 ZINC000848300423 661639874 /nfs/dbraw/zinc/63/98/74/661639874.db2.gz JXMHWVHCDHWSEZ-UHFFFAOYSA-N 1 0 383.334 2.928 20 0 GFADRO CO[C@H](C(=O)Nc1cnn(C2CC[NH2+]CC2)c1)c1ccccc1Br ZINC000848419557 661646016 /nfs/dbraw/zinc/64/60/16/661646016.db2.gz XKDZJGUPSZPOHF-INIZCTEOSA-N 1 0 393.285 2.896 20 0 GFADRO CCC(C)(C)[NH+]1CCN(Cn2nc(Br)nc2Br)CC1 ZINC000848495094 661656038 /nfs/dbraw/zinc/65/60/38/661656038.db2.gz ABYSXBIMMNSTFJ-UHFFFAOYSA-N 1 0 395.143 2.567 20 0 GFADRO COc1cc(C[NH2+]C2CCN([C@@H]3CCOC3)CC2)cc(Br)c1O ZINC000848525102 661661389 /nfs/dbraw/zinc/66/13/89/661661389.db2.gz NLIQKAQFVWDGPQ-CQSZACIVSA-N 1 0 385.302 2.506 20 0 GFADRO C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]C[C@H]1CN(C2CC2)C(=O)O1 ZINC000848570812 661665394 /nfs/dbraw/zinc/66/53/94/661665394.db2.gz NXXZYWSTWOIEKV-NHYWBVRUSA-N 1 0 396.285 2.739 20 0 GFADRO COCC[N@H+]1[C@H](C)CN(c2ncc3scc(Br)c3n2)C[C@@H]1C ZINC000848735690 661679934 /nfs/dbraw/zinc/67/99/34/661679934.db2.gz QOMSCOMTMLWANM-PHIMTYICSA-N 1 0 385.331 2.999 20 0 GFADRO COC(=O)/C=C/c1ccc(C[NH2+]CCCCn2cc(Br)cn2)o1 ZINC000848908005 661688145 /nfs/dbraw/zinc/68/81/45/661688145.db2.gz LKJDFIPNLPQSEE-VOTSOKGWSA-N 1 0 382.258 2.995 20 0 GFADRO Cc1nn(-c2cccc(Cl)c2)c(Cl)c1CN1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000848926767 661689449 /nfs/dbraw/zinc/68/94/49/661689449.db2.gz YNTSZWIVXOSRTN-JKSUJKDBSA-N 1 0 381.307 2.738 20 0 GFADRO C[C@H]1CN(C(=[NH2+])NCc2ccc(I)c(Cl)c2)CCO1 ZINC000848988021 661689907 /nfs/dbraw/zinc/68/99/07/661689907.db2.gz YYQHRZURNTUIRJ-VIFPVBQESA-N 1 0 393.656 2.690 20 0 GFADRO Cc1cccc(NC(=[NH2+])NCCCNS(=O)(=O)c2ccccc2Cl)c1 ZINC000849075597 661691122 /nfs/dbraw/zinc/69/11/22/661691122.db2.gz HVPLMUOVCDPKQN-UHFFFAOYSA-N 1 0 380.901 2.953 20 0 GFADRO CCS(=O)(=O)c1ccc(CNC(=[NH2+])Nc2cc(OC)ccc2OC)s1 ZINC000849094369 661691522 /nfs/dbraw/zinc/69/15/22/661691522.db2.gz FXQRIOJMIJRFLU-UHFFFAOYSA-N 1 0 383.495 2.695 20 0 GFADRO CC(C)(C)OC(=O)NCCNC(=[NH2+])NCc1cc(F)cc(Br)c1 ZINC000849110840 661692391 /nfs/dbraw/zinc/69/23/91/661692391.db2.gz CERCKQMZQPIMRS-UHFFFAOYSA-N 1 0 389.269 2.727 20 0 GFADRO CC(C)(C)OC(=O)CS(=O)(=O)CC[NH2+]Cc1cc(Cl)cc(Cl)c1 ZINC000849325119 661705839 /nfs/dbraw/zinc/70/58/39/661705839.db2.gz BAZMELXKRWTKOF-UHFFFAOYSA-N 1 0 382.309 2.840 20 0 GFADRO O=C1N[C@@H](c2ccccc2Br)C(=O)N1C1CC[NH+](C2CC2)CC1 ZINC000849353125 661708972 /nfs/dbraw/zinc/70/89/72/661708972.db2.gz ZKJBXIKYGYISGT-HNNXBMFYSA-N 1 0 378.270 2.669 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@@H](NS(=O)(=O)Cc2cc(F)ccc2Br)C1 ZINC000849379597 661712311 /nfs/dbraw/zinc/71/23/11/661712311.db2.gz OOBBAELSYLFACQ-ZIAGYGMSSA-N 1 0 393.322 2.880 20 0 GFADRO Cc1cc(Br)ncc1NC(=O)[C@@H]1CC[N@@H+](C)C[C@H]1c1cnn(C)c1 ZINC000849552916 661734110 /nfs/dbraw/zinc/73/41/10/661734110.db2.gz LTALMOUGLMJRIJ-KGLIPLIRSA-N 1 0 392.301 2.560 20 0 GFADRO COc1cncc(C[NH2+]CCC(=O)N(C)Cc2ccccc2Br)c1 ZINC000850130165 661765938 /nfs/dbraw/zinc/76/59/38/661765938.db2.gz FGTSVLYQBDRVNV-UHFFFAOYSA-N 1 0 392.297 2.991 20 0 GFADRO CC(C)n1ncc2cc(C[NH2+]CCC3(CS(C)(=O)=O)CC3)c(Cl)nc21 ZINC000850343979 661770527 /nfs/dbraw/zinc/77/05/27/661770527.db2.gz ZBVYSBJIOGHFNS-UHFFFAOYSA-N 1 0 384.933 2.970 20 0 GFADRO CCSC1(C[NH2+]Cc2c(C)nn([C@@H]3CCS(=O)(=O)C3)c2Cl)CC1 ZINC000850394683 661774589 /nfs/dbraw/zinc/77/45/89/661774589.db2.gz ZFCWRXCVWWPYAV-GFCCVEGCSA-N 1 0 377.963 2.580 20 0 GFADRO Cc1nccn1-c1ccc([C@@H](C)[NH2+]CCS(=O)(=O)CC(F)(F)F)cc1 ZINC000850518041 661780143 /nfs/dbraw/zinc/78/01/43/661780143.db2.gz BKGMPVURAZSMFH-GFCCVEGCSA-N 1 0 375.416 2.808 20 0 GFADRO CCCN1CC[C@@H]([NH2+][C@H](C)c2ccc(S(=O)(=O)C(F)F)c(OC)c2)C1 ZINC000850555743 661781660 /nfs/dbraw/zinc/78/16/60/661781660.db2.gz PUFTXFNZFKLCHP-TZMCWYRMSA-N 1 0 376.469 2.826 20 0 GFADRO O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1cc2sccc2nc1Cl ZINC000851635171 661827294 /nfs/dbraw/zinc/82/72/94/661827294.db2.gz JNCXPEGXFRLYFT-GFCCVEGCSA-N 1 0 392.834 2.516 20 0 GFADRO C[C@@H]1C[C@H](C)N(C(=O)c2ccc(C(F)(F)Br)nc2)C[C@@H]1C[NH3+] ZINC000851642574 661827690 /nfs/dbraw/zinc/82/76/90/661827690.db2.gz YYDHBCRULFFSCP-SCVCMEIPSA-N 1 0 376.245 2.971 20 0 GFADRO COC(CC[NH+]1CCN(Cc2ccc(Br)c(F)c2)CC1)OC ZINC000851812673 661833684 /nfs/dbraw/zinc/83/36/84/661833684.db2.gz JEIPPUCGEJYFQE-UHFFFAOYSA-N 1 0 375.282 2.715 20 0 GFADRO O=S(=O)(NC[C@H]1CCC[N@H+](CC2CC2)C1)c1ccc(C(F)(F)F)cn1 ZINC000851895367 661844091 /nfs/dbraw/zinc/84/40/91/661844091.db2.gz WGXQDXOIXDRPGZ-CYBMUJFWSA-N 1 0 377.432 2.501 20 0 GFADRO CCOP(=O)(OCC)[C@H](O)C[N@H+](CC(=O)N1CCCCCC1)C(C)C ZINC000852047558 661850820 /nfs/dbraw/zinc/85/08/20/661850820.db2.gz WTVKSFLEGPAVND-KRWDZBQOSA-N 1 0 378.450 2.684 20 0 GFADRO CO[C@@H](C[N@@H+]1CC[C@@]2(C)[C@@H](C1)C2(Br)Br)[C@@H]1CCOC1 ZINC000852334993 661860789 /nfs/dbraw/zinc/86/07/89/661860789.db2.gz DIYHLPJHSZDWAI-XQHKEYJVSA-N 1 0 397.151 2.866 20 0 GFADRO CC(C)[C@H]([NH2+]Cc1nnnn1CC(F)(F)F)[C@@H](O)c1ccc(Cl)cc1 ZINC000852728862 661872479 /nfs/dbraw/zinc/87/24/79/661872479.db2.gz ICOPBINAQLQELC-KBPBESRZSA-N 1 0 377.798 2.737 20 0 GFADRO NC(=O)c1cccc2c1CC[N@H+](C[C@@H](O)c1ccc(Br)cc1)C2 ZINC000852755575 661873390 /nfs/dbraw/zinc/87/33/90/661873390.db2.gz TXYBNRGTICPYRC-QGZVFWFLSA-N 1 0 375.266 2.640 20 0 GFADRO O=C(NCC1(Cc2ccc(Br)cc2)CC1)c1[nH]nc2c1C[NH2+]CC2 ZINC000852855827 661875955 /nfs/dbraw/zinc/87/59/55/661875955.db2.gz OZRNHUKPILDKAS-UHFFFAOYSA-N 1 0 389.297 2.571 20 0 GFADRO O=C([C@@H]1CCO[C@H]1c1cncc(Br)c1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000852878873 661876392 /nfs/dbraw/zinc/87/63/92/661876392.db2.gz RSIARNKLABWBHR-RYRKJORJSA-N 1 0 394.313 2.524 20 0 GFADRO [NH3+]C[C@@H](NC(=O)c1cnn(-c2ccccc2)c1Br)C1CCCC1 ZINC000852890369 661876488 /nfs/dbraw/zinc/87/64/88/661876488.db2.gz JGUCXLDHPLDEHK-OAHLLOKOSA-N 1 0 377.286 2.882 20 0 GFADRO CN(CC(=O)O[C@H](C[NH+](C)C)c1cc(F)c(F)c(F)c1)[C@@H]1CCSC1 ZINC000853214187 661885179 /nfs/dbraw/zinc/88/51/79/661885179.db2.gz XTTPJOGAZIKVDO-IUODEOHRSA-N 1 0 376.444 2.687 20 0 GFADRO O=C(N1CCC[C@H]([C@@H]2CCCC[N@@H+]2CN2CCSC2=S)C1)C(F)(F)F ZINC000853545468 661891755 /nfs/dbraw/zinc/89/17/55/661891755.db2.gz GGUSDZIJLVWVMZ-STQMWFEESA-N 1 0 395.516 2.933 20 0 GFADRO Cn1nc(Br)c2c1ncnc2NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000853999261 661910835 /nfs/dbraw/zinc/91/08/35/661910835.db2.gz IVLWXDJJSFFKRD-GFCCVEGCSA-N 1 0 379.306 2.660 20 0 GFADRO COC(=O)N(Cc1noc(-c2sc3c(c2Br)C[NH2+]C3)n1)C1CC1 ZINC000854140024 661916350 /nfs/dbraw/zinc/91/63/50/661916350.db2.gz VTLSQJZJFQPEGI-UHFFFAOYSA-N 1 0 399.270 2.895 20 0 GFADRO CC[C@H]([NH2+]C)c1nc(-c2cccn3c(I)cnc23)no1 ZINC000854153348 661916796 /nfs/dbraw/zinc/91/67/96/661916796.db2.gz PLQWOZMFWUJWBZ-VIFPVBQESA-N 1 0 383.193 2.659 20 0 GFADRO CC[C@H]([NH2+]C)c1nc(-c2ccc3ncc(I)n3c2)no1 ZINC000854153677 661916838 /nfs/dbraw/zinc/91/68/38/661916838.db2.gz VSRFRSJMLGJOMT-VIFPVBQESA-N 1 0 383.193 2.659 20 0 GFADRO CC1CC[NH+](CCCNC(=O)c2csc(I)n2)CC1 ZINC000854286977 661922053 /nfs/dbraw/zinc/92/20/53/661922053.db2.gz JKADXBGGYMJSNM-UHFFFAOYSA-N 1 0 393.294 2.600 20 0 GFADRO C[N@@H+]1CCN(CCNC(=O)c2cc(Cl)nc(C(F)(F)F)c2)CC1(C)C ZINC000854335878 661925384 /nfs/dbraw/zinc/92/53/84/661925384.db2.gz COTOQKVAMJBPGT-UHFFFAOYSA-N 1 0 378.826 2.510 20 0 GFADRO Cc1nc(SCC(C)C)sc1CC(=O)N[C@@H](CO)C[NH+]1CCCCC1 ZINC000854413245 661932041 /nfs/dbraw/zinc/93/20/41/661932041.db2.gz PDOKHOCPUPILMI-OAHLLOKOSA-N 1 0 385.599 2.705 20 0 GFADRO CN1CC[NH+](CC2CN(C(=O)C(F)(F)c3cccc(Cl)c3Cl)C2)CC1 ZINC000854644363 661945191 /nfs/dbraw/zinc/94/51/91/661945191.db2.gz MPAIOFXRQCLDIP-UHFFFAOYSA-N 1 0 392.277 2.791 20 0 GFADRO C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1cn3c(Br)cnc3s1)C2 ZINC000854734944 661952312 /nfs/dbraw/zinc/95/23/12/661952312.db2.gz GKMJSTZOPXTJEH-HNNXBMFYSA-N 1 0 383.315 2.716 20 0 GFADRO C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@]1(C)CC1(Br)Br)C2 ZINC000854734808 661952328 /nfs/dbraw/zinc/95/23/28/661952328.db2.gz DLETWJMKWMGJEH-OLZOCXBDSA-N 1 0 394.151 2.827 20 0 GFADRO Cc1csc([C@@](O)(CC(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)C(F)(F)F)n1 ZINC000855166940 661974834 /nfs/dbraw/zinc/97/48/34/661974834.db2.gz TTXROZOWXBMKJP-NHYWBVRUSA-N 1 0 379.448 2.581 20 0 GFADRO O=C(NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1nc(Cl)ccc1Cl ZINC000855400362 661990379 /nfs/dbraw/zinc/99/03/79/661990379.db2.gz ATYRJKVGQAWERI-AWEZNQCLSA-N 1 0 380.275 2.885 20 0 GFADRO Cn1c(Cl)c(Cl)cc1C(=O)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000855401760 661990395 /nfs/dbraw/zinc/99/03/95/661990395.db2.gz RLPLJNKYFDAISW-CQSZACIVSA-N 1 0 382.291 2.829 20 0 GFADRO O=C(NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1cc(Cl)nc(Cl)c1 ZINC000855401659 661990502 /nfs/dbraw/zinc/99/05/02/661990502.db2.gz PVSYIQCKESHASG-HNNXBMFYSA-N 1 0 380.275 2.885 20 0 GFADRO CCN(C(=O)C[C@@](O)(c1nc(C)cs1)C(F)(F)F)[C@H]1CC[N@H+](CC)C1 ZINC000855492335 661993427 /nfs/dbraw/zinc/99/34/27/661993427.db2.gz ZESWXRHIMBBSOB-SWLSCSKDSA-N 1 0 379.448 2.534 20 0 GFADRO COc1cc(C(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)cnc1Br ZINC000855809984 662009108 /nfs/dbraw/zinc/00/91/08/662009108.db2.gz QGPPMJZIIINIDP-CYBMUJFWSA-N 1 0 382.302 2.990 20 0 GFADRO CCC[N@H+](C)CC(C)(C)NC(=O)c1csc(I)n1 ZINC000856281924 662027588 /nfs/dbraw/zinc/02/75/88/662027588.db2.gz MKSIHBCXMDDPKL-UHFFFAOYSA-N 1 0 381.283 2.598 20 0 GFADRO CC[C@@H]1CN(C(=O)/C=C/c2cc(Br)c(O)c(OC)c2)C[C@H](C)[NH2+]1 ZINC000856409338 662032272 /nfs/dbraw/zinc/03/22/72/662032272.db2.gz OAGOBUTXOMTBMJ-LRLQIDNFSA-N 1 0 383.286 2.775 20 0 GFADRO O=C(NCC1CC[NH+](CC2CC2)CC1)c1c(Br)nc2n1CCCC2 ZINC000856414718 662032540 /nfs/dbraw/zinc/03/25/40/662032540.db2.gz OXXJLLXTDLCHSS-UHFFFAOYSA-N 1 0 395.345 2.834 20 0 GFADRO CC[NH+]1CCN(Cc2ccc(CNc3cnc(Br)cn3)cc2)CC1 ZINC000856723383 662038511 /nfs/dbraw/zinc/03/85/11/662038511.db2.gz PQJYCTBOZPAJED-UHFFFAOYSA-N 1 0 390.329 2.989 20 0 GFADRO C[N@@H+]1CCC[C@@H](c2cccc(C(=O)NCC[S@@](=O)CC(F)(F)F)c2)C1 ZINC000857302433 662072454 /nfs/dbraw/zinc/07/24/54/662072454.db2.gz QWZKRVFFZXEEFQ-SGANQWHYSA-N 1 0 376.444 2.537 20 0 GFADRO CCN(C(=O)CCN1C(=S)N=NC1c1cccs1)[C@H]1CC[N@H+](CC)C1 ZINC000857311484 662073073 /nfs/dbraw/zinc/07/30/73/662073073.db2.gz VJDKCDOGVMNNNZ-ZDUSSCGKSA-N 1 0 379.555 2.628 20 0 GFADRO CCN1CCC([NH+]2CCC(C(=O)NCC[C@H]3CC3(Cl)Cl)CC2)CC1 ZINC000857384698 662078499 /nfs/dbraw/zinc/07/84/99/662078499.db2.gz WRDNMAUCBCFFBB-HNNXBMFYSA-N 1 0 376.372 2.883 20 0 GFADRO C[NH+](C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC[C@H]1CC1(Cl)Cl ZINC000857389679 662078529 /nfs/dbraw/zinc/07/85/29/662078529.db2.gz PWBARGSRONERRB-RYUDHWBXSA-N 1 0 382.332 2.532 20 0 GFADRO Cc1cncn1CC(=O)N1C[C@H]([NH+](C)C)CCc2cc(Br)ccc21 ZINC000857880282 662093194 /nfs/dbraw/zinc/09/31/94/662093194.db2.gz FNWNQAGTUPWLBK-MRXNPFEDSA-N 1 0 391.313 2.864 20 0 GFADRO CNC(=O)C[C@@H](C)[NH2+]Cc1cc(Br)c([C@H](C)OCOC)cc1F ZINC000858173652 662102964 /nfs/dbraw/zinc/10/29/64/662102964.db2.gz DYFOZMKPMMQGIK-MNOVXSKESA-N 1 0 391.281 2.884 20 0 GFADRO CCOc1cc(C[NH2+]CC(=O)N(CC)OCC)cc(Br)c1OC ZINC000858218196 662104759 /nfs/dbraw/zinc/10/47/59/662104759.db2.gz JARAKIKYRQXWHW-UHFFFAOYSA-N 1 0 389.290 2.746 20 0 GFADRO Cn1cc(C[NH2+][C@@]2(CO)CCc3cc(Br)ccc3C2)c(Cl)n1 ZINC000858241071 662105865 /nfs/dbraw/zinc/10/58/65/662105865.db2.gz WOQVGTZEAMXCPE-INIZCTEOSA-N 1 0 384.705 2.846 20 0 GFADRO CC[S@@](=O)CC[NH2+][C@@H](C)c1ccc(NS(=O)(=O)c2ccccc2)cc1 ZINC000858365071 662109785 /nfs/dbraw/zinc/10/97/85/662109785.db2.gz YXUMIJLLGRCMNK-IZHWHUGBSA-N 1 0 380.535 2.907 20 0 GFADRO CCC1([NH+]2CCOCC2)CCN(c2ncnc3nc(SC)sc32)CC1 ZINC000858822757 662124177 /nfs/dbraw/zinc/12/41/77/662124177.db2.gz JFKWIVBZKLYVSF-UHFFFAOYSA-N 1 0 379.555 2.889 20 0 GFADRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)OCc3ccc(Br)cc3)CC2)C1 ZINC000858986099 662130684 /nfs/dbraw/zinc/13/06/84/662130684.db2.gz YMHOIIBHDKSPKT-QGZVFWFLSA-N 1 0 396.329 2.798 20 0 GFADRO COC(=O)Nc1ccc(S(=O)(=O)NCC[C@H]2CCC[N@H+](C)C2)cc1Cl ZINC000859187648 662143667 /nfs/dbraw/zinc/14/36/67/662143667.db2.gz QFNJEBKIKKBNCY-GFCCVEGCSA-N 1 0 389.905 2.529 20 0 GFADRO OC[C@H]1CCC2(CCOCC2)C[N@@H+]1C[C@H](O)c1ccc(Br)cc1 ZINC000859520199 662166150 /nfs/dbraw/zinc/16/61/50/662166150.db2.gz FYGIFOUKLTZFRO-SJORKVTESA-N 1 0 384.314 2.736 20 0 GFADRO C[C@H]([NH3+])CN(C)C(=O)Nc1cc(Br)cnc1OCC(F)(F)F ZINC000859650842 662171184 /nfs/dbraw/zinc/17/11/84/662171184.db2.gz YXAJBSTYMPXFRF-ZETCQYMHSA-N 1 0 385.184 2.596 20 0 GFADRO Cc1nc(Br)ccc1NC(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000859671625 662171849 /nfs/dbraw/zinc/17/18/49/662171849.db2.gz VOQRXXIUPRFUGJ-AWEZNQCLSA-N 1 0 397.317 2.775 20 0 GFADRO C[C@H]1C[NH+](CCCCNC(=O)c2cc(Br)cnc2F)C[C@H](C)O1 ZINC000859943070 662179682 /nfs/dbraw/zinc/17/96/82/662179682.db2.gz WVOVOFHPISPPIY-RYUDHWBXSA-N 1 0 388.281 2.602 20 0 GFADRO CO[C@@H]1C[N@H+](C)[C@@](C)(COC(=O)c2csc(I)c2)C1 ZINC000861349253 662241694 /nfs/dbraw/zinc/24/16/94/662241694.db2.gz YJCPDIHYTUIFJJ-GXFFZTMASA-N 1 0 395.262 2.619 20 0 GFADRO O=C(OCC12CCC[NH+](CCC1)C2)c1nccn2c(Br)cnc12 ZINC000861360193 662242447 /nfs/dbraw/zinc/24/24/47/662242447.db2.gz LCBMNFIUXZMNBM-UHFFFAOYSA-N 1 0 379.258 2.525 20 0 GFADRO C[C@@H]1CC[C@@H](NC(=O)N2CCO[C@@H](c3ccccc3Br)C2)C[NH2+]1 ZINC000861685656 662254923 /nfs/dbraw/zinc/25/49/23/662254923.db2.gz JCADPPZYEHIREI-XJKCOSOUSA-N 1 0 382.302 2.673 20 0 GFADRO CC[C@H](C(=O)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1)c1ccc(Br)cc1 ZINC000861719688 662255815 /nfs/dbraw/zinc/25/58/15/662255815.db2.gz MWCILEFGHOAOKW-ZACQAIPSSA-N 1 0 381.314 2.610 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)C(=O)Nc2cccc(SC(F)(F)F)c2)CC[N@@H+]1C ZINC000861758321 662257948 /nfs/dbraw/zinc/25/79/48/662257948.db2.gz DTDOXGKIBYQSTD-ZYHUDNBSSA-N 1 0 375.416 2.836 20 0 GFADRO COc1cc(OCC[NH+](C)C)ccc1NC(=O)c1c(Cl)nn(C)c1Cl ZINC000861991624 662265888 /nfs/dbraw/zinc/26/58/88/662265888.db2.gz FAJLPYADGVRFIE-UHFFFAOYSA-N 1 0 387.267 2.928 20 0 GFADRO C[C@]1(Br)C[C@@H]1C(=O)N1CCO[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]21 ZINC000862128175 662270082 /nfs/dbraw/zinc/27/00/82/662270082.db2.gz APWOLVPWTXRQCT-MTNOOBJLSA-N 1 0 393.325 2.662 20 0 GFADRO CCOC(=O)c1cccc(C[NH2+]C[C@@H](O)c2cccc(Br)c2)n1 ZINC000862358081 662282406 /nfs/dbraw/zinc/28/24/06/662282406.db2.gz SPYSSJNNZMDJFO-MRXNPFEDSA-N 1 0 379.254 2.844 20 0 GFADRO COC(=O)[C@@H]1C[N@H+](Cc2cn(C)nc2Br)C[C@H]1c1ccccc1 ZINC000862403597 662285547 /nfs/dbraw/zinc/28/55/47/662285547.db2.gz SYSAZKIUFCOUJV-LSDHHAIUSA-N 1 0 378.270 2.571 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C[N@@H+]1C[C@@H]2COC(=O)[C@@H]2C1 ZINC000862547128 662290934 /nfs/dbraw/zinc/29/09/34/662290934.db2.gz ZJNLDTBNBJMILF-CZUORRHYSA-N 1 0 376.254 2.548 20 0 GFADRO C[N@@H+]1CCCC[C@@H](CNC(=O)/C=C\c2ccc(I)o2)C1 ZINC000862790705 662301686 /nfs/dbraw/zinc/30/16/86/662301686.db2.gz UTPBLHXBGMSUKR-VFFGBVLKSA-N 1 0 388.249 2.746 20 0 GFADRO CC(C)(NC(=S)NCCCN1CCOCC1)c1nc2ccccc2s1 ZINC000863206464 662314698 /nfs/dbraw/zinc/31/46/98/662314698.db2.gz DCYBLYNZEWWKQG-UHFFFAOYSA-N 1 0 378.567 2.718 20 0 GFADRO CCN(C(=O)CCN1C(=S)N=NC1c1cccs1)C1CC[NH+](C)CC1 ZINC000863922293 662349858 /nfs/dbraw/zinc/34/98/58/662349858.db2.gz VVBQJJWEXZGZOJ-UHFFFAOYSA-N 1 0 379.555 2.628 20 0 GFADRO C[NH+](C)C1(C)CCN(C(=O)[C@@]2(C)CC2(Br)Br)CC1 ZINC000864082128 662354062 /nfs/dbraw/zinc/35/40/62/662354062.db2.gz PSZFONHKRUALHK-GFCCVEGCSA-N 1 0 382.140 2.825 20 0 GFADRO C[C@@H](C[NH2+]Cc1cn(C[C@@H]2CCCO2)nn1)Oc1ccc(Br)cc1 ZINC000865480658 662424028 /nfs/dbraw/zinc/42/40/28/662424028.db2.gz ANAZGGCJFVQODZ-GUYCJALGSA-N 1 0 395.301 2.777 20 0 GFADRO CC(C)(C)OC(=O)N1CCc2sc(C[NH2+]C[C@@]3(O)CCSC3)cc2C1 ZINC000865481320 662424040 /nfs/dbraw/zinc/42/40/40/662424040.db2.gz NRJSPROBUIMWGF-SFHVURJKSA-N 1 0 384.567 2.999 20 0 GFADRO CC(C)(C)OC(=O)N[C@@H](C[NH2+]CCn1cc(Br)cn1)CC(F)F ZINC000865566255 662429874 /nfs/dbraw/zinc/42/98/74/662429874.db2.gz HIWQXNDIJFDHPE-LLVKDONJSA-N 1 0 397.264 2.784 20 0 GFADRO O=C(c1ccc(C[NH2+]CCn2cc(Br)cn2)cc1)N1CCCC1 ZINC000865566441 662429949 /nfs/dbraw/zinc/42/99/49/662429949.db2.gz IJTVIIDUQAFUKO-UHFFFAOYSA-N 1 0 377.286 2.671 20 0 GFADRO CC(=O)NCC1CCC([NH2+]CCCS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000865580857 662430470 /nfs/dbraw/zinc/43/04/70/662430470.db2.gz FYGYEHRGSGGUBQ-UHFFFAOYSA-N 1 0 386.945 2.788 20 0 GFADRO C[NH+](C)[C@H]1CCC[C@H](Nc2cccc(OC(F)(F)F)c2S(N)(=O)=O)C1 ZINC000865587388 662430891 /nfs/dbraw/zinc/43/08/91/662430891.db2.gz NJRHPRJBCANEHG-QWRGUYRKSA-N 1 0 381.420 2.517 20 0 GFADRO OCc1ccc(NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)nc1Br ZINC000865669229 662435240 /nfs/dbraw/zinc/43/52/40/662435240.db2.gz XTDCKKYHDWYOBT-INIZCTEOSA-N 1 0 392.297 2.515 20 0 GFADRO NC(=O)COc1ccc(C[NH2+][C@@H]2[C@H]3Cc4cc(Br)ccc4[C@@H]23)cc1 ZINC000865694172 662436907 /nfs/dbraw/zinc/43/69/07/662436907.db2.gz QQYZNOFEYNYXQM-QXAKKESOSA-N 1 0 387.277 2.741 20 0 GFADRO C/C(=C\c1ccc(Br)o1)C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000865750867 662441145 /nfs/dbraw/zinc/44/11/45/662441145.db2.gz TZRRJXCJYJNALB-YPDDLIOESA-N 1 0 396.329 2.730 20 0 GFADRO CC(C)[C@H](CNC(=O)c1cc2c(ccnc2Cl)s1)N1CC[NH+](C)CC1 ZINC000865786672 662443371 /nfs/dbraw/zinc/44/33/71/662443371.db2.gz RBUPTJKASVXAPC-AWEZNQCLSA-N 1 0 380.945 2.952 20 0 GFADRO CC[NH+](CC)C[C@H](C)NC(=O)c1cnn(C(C)C)c1I ZINC000865805804 662444617 /nfs/dbraw/zinc/44/46/17/662444617.db2.gz CFMCNPMFNHBCSB-NSHDSACASA-N 1 0 392.285 2.529 20 0 GFADRO CC[C@H](C[C@@H](C)O)[NH2+]Cc1cc(Br)ccc1O[C@@H](C)C(=O)NC ZINC000865874171 662448943 /nfs/dbraw/zinc/44/89/43/662448943.db2.gz TZYHAYJSBFNEMQ-TYNCELHUSA-N 1 0 387.318 2.602 20 0 GFADRO C/C(=C/c1ccc(Br)o1)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000865896362 662449900 /nfs/dbraw/zinc/44/99/00/662449900.db2.gz HDXOCGWFUSIPHL-ZSMUJPCHSA-N 1 0 396.329 2.684 20 0 GFADRO CN1CC[NH+](C2CCN(C(=O)Nc3cccc(Br)c3)CC2)CC1 ZINC000866154200 662462116 /nfs/dbraw/zinc/46/21/16/662462116.db2.gz QCMXBJGMCDSYIU-UHFFFAOYSA-N 1 0 381.318 2.693 20 0 GFADRO C/C(=C/c1ccc(Br)o1)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000866321019 662467937 /nfs/dbraw/zinc/46/79/37/662467937.db2.gz MQAXQDVBBMOTCI-SEYXRHQNSA-N 1 0 383.286 2.769 20 0 GFADRO C[C@H]([NH2+][C@H]1[C@@H]2OC[C@H]3C[C@H]1C[C@H]23)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000866444366 662473650 /nfs/dbraw/zinc/47/36/50/662473650.db2.gz GQLGUHJALHTKAU-QUQPLOGZSA-N 1 0 391.320 2.715 20 0 GFADRO CCCCN(C1CC(C)(C)[NH2+]C(C)(C)C1)S(=O)(=O)N=S1(=O)CCCC1 ZINC000866600097 662483051 /nfs/dbraw/zinc/48/30/51/662483051.db2.gz DPFKBEBPFJTMEZ-UHFFFAOYSA-N 1 0 393.619 2.904 20 0 GFADRO C[C@@H](Cc1ccc(Br)c(F)c1)[NH2+]Cc1nc2c(c(=O)[nH]1)COCC2 ZINC000866627292 662484444 /nfs/dbraw/zinc/48/44/44/662484444.db2.gz BTLHXMYKMLRJSD-JTQLQIEISA-N 1 0 396.260 2.877 20 0 GFADRO C[C@H]([NH3+])C1CCN(S(=O)(=O)c2oc3ccccc3c2Br)CC1 ZINC000866738629 662493068 /nfs/dbraw/zinc/49/30/68/662493068.db2.gz UGQLAXICRZUWJO-JTQLQIEISA-N 1 0 387.299 2.943 20 0 GFADRO O=S(=O)(c1oc2ccccc2c1Br)N1CCC2(CC[NH2+]C2)CC1 ZINC000866766083 662496031 /nfs/dbraw/zinc/49/60/31/662496031.db2.gz ILLDQFJTCGOGGY-UHFFFAOYSA-N 1 0 399.310 2.960 20 0 GFADRO CN(c1ccc(OCC[NH+](C)C)cc1)S(=O)(=O)C[C@H]1CCC(F)(F)C1 ZINC000866766947 662496043 /nfs/dbraw/zinc/49/60/43/662496043.db2.gz FVRNYGCZKJULDM-AWEZNQCLSA-N 1 0 376.469 2.828 20 0 GFADRO O=S(=O)(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cc(Cl)ccc1OC(F)F ZINC000866810379 662500712 /nfs/dbraw/zinc/50/07/12/662500712.db2.gz VQRJMEQOECLDSR-YHPBZONMSA-N 1 0 380.844 2.750 20 0 GFADRO CC(C)(C)[C@@]1(C[NH3+])CCN(S(=O)(=O)c2cc3nc(Cl)ncc3s2)C1 ZINC000866814233 662501417 /nfs/dbraw/zinc/50/14/17/662501417.db2.gz NMDQWBZYSFADPX-OAHLLOKOSA-N 1 0 388.946 2.730 20 0 GFADRO O=S(=O)(c1ccc(Br)c(Cl)c1)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000866827417 662502347 /nfs/dbraw/zinc/50/23/47/662502347.db2.gz MLUHLDSXDJWFOD-STQMWFEESA-N 1 0 379.707 2.618 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2cc3nc(Cl)ncc3s2)[C@H](C)C1 ZINC000866864875 662504654 /nfs/dbraw/zinc/50/46/54/662504654.db2.gz YKSVZUAAAXMUOJ-ZYHUDNBSSA-N 1 0 388.946 2.696 20 0 GFADRO CCC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2cc3nc(Cl)ncc3s2)C1 ZINC000866892168 662506607 /nfs/dbraw/zinc/50/66/07/662506607.db2.gz GGCORZYIPGTAFC-NSHDSACASA-N 1 0 388.946 2.697 20 0 GFADRO C[NH+](C)C[C@H]1CN(S(=O)(=O)C[C@]2(C)CC2(Cl)Cl)c2ccccc2O1 ZINC000866961689 662512062 /nfs/dbraw/zinc/51/20/62/662512062.db2.gz CCPQGWZOCURJII-WFASDCNBSA-N 1 0 393.336 2.729 20 0 GFADRO C[N@H+](CCCO)C1CCN(C(=O)c2cc(F)c(Br)cc2F)CC1 ZINC000867012433 662516567 /nfs/dbraw/zinc/51/65/67/662516567.db2.gz LJRUQSJCWKFLPW-UHFFFAOYSA-N 1 0 391.256 2.646 20 0 GFADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)/C=C\c1ccsc1C(F)(F)F ZINC000867479737 662552846 /nfs/dbraw/zinc/55/28/46/662552846.db2.gz UHQXZHKDAPZCJS-SCOBNMCVSA-N 1 0 375.460 2.922 20 0 GFADRO C[NH+]1CCC2(CCN(S(=O)(=O)c3c[nH]c4nccc(Cl)c34)CC2)CC1 ZINC000867618749 662563200 /nfs/dbraw/zinc/56/32/00/662563200.db2.gz JKNOBOLVPQLKIJ-UHFFFAOYSA-N 1 0 382.917 2.713 20 0 GFADRO Cc1nn(C)c(C)c1C[C@H](C)NC(=O)[C@@H]([NH3+])c1cccc(Br)c1 ZINC000867941154 662588376 /nfs/dbraw/zinc/58/83/76/662588376.db2.gz CCWJHNFPCXPKEV-QFYYESIMSA-N 1 0 379.302 2.547 20 0 GFADRO O=C(c1cc(Br)cn2ccnc12)N1CCC2(CC[NH2+]CC2)CC1 ZINC000867978117 662590288 /nfs/dbraw/zinc/59/02/88/662590288.db2.gz GXCTVUZWYOSTJB-UHFFFAOYSA-N 1 0 377.286 2.703 20 0 GFADRO COC[C@@H](NC(=O)[C@H](C[NH3+])c1ccccc1)c1cccc(Br)c1 ZINC000868023952 662591616 /nfs/dbraw/zinc/59/16/16/662591616.db2.gz CYYLCWSQXUSNCT-IAGOWNOFSA-N 1 0 377.282 2.995 20 0 GFADRO CC(C)OC[C@H]([NH3+])C(=O)Nc1ccc(Br)c(Br)c1 ZINC000868030899 662592084 /nfs/dbraw/zinc/59/20/84/662592084.db2.gz XYGZSFBVYRMUAF-NSHDSACASA-N 1 0 380.080 2.902 20 0 GFADRO COCCC1(NC(=O)Cc2ccc(Br)cc2Cl)CC[NH2+]CC1 ZINC000868044037 662592388 /nfs/dbraw/zinc/59/23/88/662592388.db2.gz GQNAWHNCXLDWLT-UHFFFAOYSA-N 1 0 389.721 2.920 20 0 GFADRO CC(C)n1ncc(C(=O)N2CCC[C@@H]([NH+]3CCOCC3)CC2)c1Br ZINC000868047556 662592576 /nfs/dbraw/zinc/59/25/76/662592576.db2.gz RHPLOTRONKWDKG-CQSZACIVSA-N 1 0 399.333 2.553 20 0 GFADRO [NH3+][C@@H](C(=O)Nc1nnc([C@H]2CCCO2)s1)c1cccc(Br)c1 ZINC000868050160 662592621 /nfs/dbraw/zinc/59/26/21/662592621.db2.gz FSFWLQCGACBNED-GHMZBOCLSA-N 1 0 383.271 2.791 20 0 GFADRO O=C(NCc1ccc(Br)cn1)Nc1ccc2c(c1)OCC[NH2+]C2 ZINC000868172134 662597642 /nfs/dbraw/zinc/59/76/42/662597642.db2.gz HSZBRNFXXAXMJL-UHFFFAOYSA-N 1 0 377.242 2.648 20 0 GFADRO COc1ccc(CNC(=O)N2CC[C@H]3[C@H](CC[N@@H+]3C)C2)cc1Br ZINC000868194531 662598418 /nfs/dbraw/zinc/59/84/18/662598418.db2.gz TYZGBZAECKWNJE-HIFRSBDPSA-N 1 0 382.302 2.693 20 0 GFADRO C[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3[C@@H]4c5cc(Br)ccc5C[C@H]34)C2)C1 ZINC000868534413 662608282 /nfs/dbraw/zinc/60/82/82/662608282.db2.gz DUPNCMIKKOOCJQ-FAJBIJEISA-N 1 0 375.310 2.889 20 0 GFADRO COC[C@H](NC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)c1cccc(Br)c1 ZINC000868750999 662617635 /nfs/dbraw/zinc/61/76/35/662617635.db2.gz YPXFOXTVHSYQLQ-MAZHCROVSA-N 1 0 384.318 2.776 20 0 GFADRO Cc1cc(NC(=O)c2cc(I)nn2C)ccc1C[NH+](C)C ZINC000868852657 662622092 /nfs/dbraw/zinc/62/20/92/662622092.db2.gz BFBFAUVCWMPFDR-UHFFFAOYSA-N 1 0 398.248 2.647 20 0 GFADRO C[NH+](C)C[C@H](NC(=O)CN1CCSC1=O)c1cccc(C(F)(F)F)c1 ZINC000869736727 662659555 /nfs/dbraw/zinc/65/95/55/662659555.db2.gz OGLJNAGAVDESSX-ZDUSSCGKSA-N 1 0 375.416 2.593 20 0 GFADRO C[C@H]1CC[N@H+](CC(=O)Nc2ccc(N3CC[C@@H](CO)C3)c(Br)c2)C1 ZINC000870888502 662705412 /nfs/dbraw/zinc/70/54/12/662705412.db2.gz NLRZUWBLZSKGRQ-UONOGXRCSA-N 1 0 396.329 2.548 20 0 GFADRO CC[N@H+](CC(=O)Nc1ccc(N2CC[C@H](CO)C2)c(Br)c1)C1CC1 ZINC000870889864 662706487 /nfs/dbraw/zinc/70/64/87/662706487.db2.gz SJCHGZGFNRUUBJ-ZDUSSCGKSA-N 1 0 396.329 2.691 20 0 GFADRO O=C(CCC12CC(C1)C[NH2+]2)N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000870913077 662707932 /nfs/dbraw/zinc/70/79/32/662707932.db2.gz UDRSPQWDXJPRNS-AAEPOTHZSA-N 1 0 382.291 2.747 20 0 GFADRO C[C@@H](NC(=O)[C@@H]([NH3+])c1cccc(Br)c1)c1nnc2n1CCCCC2 ZINC000870916578 662708065 /nfs/dbraw/zinc/70/80/65/662708065.db2.gz HMUYTYFTLUGESY-ABAIWWIYSA-N 1 0 392.301 2.644 20 0 GFADRO Cc1cc(C2CCN(C(=O)[C@H]([NH3+])c3cccc(Br)c3)CC2)[nH]n1 ZINC000870930043 662708701 /nfs/dbraw/zinc/70/87/01/662708701.db2.gz NQRROCMSPFVVQZ-MRXNPFEDSA-N 1 0 377.286 2.887 20 0 GFADRO [NH3+]CCCOC1CCN(C(=O)[C@H]2[C@@H]3c4cc(Br)ccc4C[C@H]23)CC1 ZINC000870938199 662709059 /nfs/dbraw/zinc/70/90/59/662709059.db2.gz ZRESDTAHRADVCY-RCCFBDPRSA-N 1 0 393.325 2.691 20 0 GFADRO CC(C)(C)[C@@]1(C[NH3+])CCN(C(=O)c2cc(Br)cn3ccnc23)C1 ZINC000870988151 662712376 /nfs/dbraw/zinc/71/23/76/662712376.db2.gz GTQRGEARAHZUFK-QGZVFWFLSA-N 1 0 379.302 2.934 20 0 GFADRO O=C(NCc1nc(C2C[C@H]3CC[C@@H](C2)[NH2+]3)no1)c1cccc(Br)c1 ZINC000871793058 662734198 /nfs/dbraw/zinc/73/41/98/662734198.db2.gz ZBPYYMCIGNQZTH-QXMXGUDHSA-N 1 0 391.269 2.760 20 0 GFADRO O=S(=O)(Cc1ccc(Cl)c(Cl)c1)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000871810534 662734848 /nfs/dbraw/zinc/73/48/48/662734848.db2.gz NOINYNMYEOEAGU-CYBMUJFWSA-N 1 0 393.336 2.572 20 0 GFADRO Cc1cc(S(=O)(=O)N2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)ccc1C(F)(F)F ZINC000871813637 662735277 /nfs/dbraw/zinc/73/52/77/662735277.db2.gz JRIFIMNEBWKDEV-CABZTGNLSA-N 1 0 390.349 2.772 20 0 GFADRO Cc1ccc(S(=O)(=O)N2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1C(F)(F)F ZINC000871814034 662735443 /nfs/dbraw/zinc/73/54/43/662735443.db2.gz OGLOKWWZKSWMQA-CABZTGNLSA-N 1 0 390.349 2.772 20 0 GFADRO CC(C)(O)C[C@H](O)C[NH2+]Cc1ccc(I)cc1Cl ZINC000872206919 662757786 /nfs/dbraw/zinc/75/77/86/662757786.db2.gz JSUPYIWDZDMHFW-NSHDSACASA-N 1 0 383.657 2.556 20 0 GFADRO Brc1cccc([C@H]([NH2+]C[C@@H]2CN3CCC[C@@H]3CO2)[C@@H]2CCOC2)c1 ZINC000872034509 662754272 /nfs/dbraw/zinc/75/42/72/662754272.db2.gz PIBRBHPOCDRAPE-OWYHZJEWSA-N 1 0 395.341 2.980 20 0 GFADRO CC(C)S(=O)(=O)CC[NH2+][C@H](c1cccc(Br)c1)[C@@H]1CCOC1 ZINC000872072794 662755258 /nfs/dbraw/zinc/75/52/58/662755258.db2.gz KAQQWLRCWDZUDK-GDBMZVCRSA-N 1 0 390.343 2.940 20 0 GFADRO [NH3+]C[C@@]1(c2nc(C3(c4ccccc4Br)CC3)no2)CCCOC1 ZINC000872181908 662757463 /nfs/dbraw/zinc/75/74/63/662757463.db2.gz RSVNAXQTUTWYNS-INIZCTEOSA-N 1 0 378.270 2.919 20 0 GFADRO O=S(=O)(CC[NH2+]C[C@@H]1C[C@H]2CCC[C@@H]2O1)c1cccc(Br)c1 ZINC000872248391 662759216 /nfs/dbraw/zinc/75/92/16/662759216.db2.gz RYSAJRFFXHUIIK-INWMFGNUSA-N 1 0 388.327 2.770 20 0 GFADRO O=S(=O)(CC[NH2+]C[C@@H]1C[C@@H]2CCC[C@@H]2O1)c1cccc(Br)c1 ZINC000872248393 662759243 /nfs/dbraw/zinc/75/92/43/662759243.db2.gz RYSAJRFFXHUIIK-NOLJZWGESA-N 1 0 388.327 2.770 20 0 GFADRO O=C1CC2(CCOCC2)[N@H+](CCCc2ccccc2Br)CCN1 ZINC000872283167 662759727 /nfs/dbraw/zinc/75/97/27/662759727.db2.gz ADFUWHYTEHCCMJ-UHFFFAOYSA-N 1 0 381.314 2.753 20 0 GFADRO CC1(C)CC[NH2+]CCN1C(=O)c1cc(=O)[nH]c2c(Br)cccc12 ZINC000872296169 662759974 /nfs/dbraw/zinc/75/99/74/662759974.db2.gz QWMOLQNYVJQGBP-UHFFFAOYSA-N 1 0 378.270 2.917 20 0 GFADRO CC(C)(C)[S@@](C)(=O)=NS(=O)(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000872459122 662769121 /nfs/dbraw/zinc/76/91/21/662769121.db2.gz QQNYSIQICNBWAE-HSZRJFAPSA-N 1 0 379.592 2.514 20 0 GFADRO CCC1([NH+](C)C)CCN(CN2c3ccc(Br)cc3C(=O)C2=O)CC1 ZINC000872668453 662784444 /nfs/dbraw/zinc/78/44/44/662784444.db2.gz JFXYKBDBEGUBTR-UHFFFAOYSA-N 1 0 394.313 2.742 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(Cn3nc4ccc(Br)cn4c3=S)CC[C@H]21 ZINC000872724630 662786647 /nfs/dbraw/zinc/78/66/47/662786647.db2.gz VVYKJWMPHXKXRV-DGCLKSJQSA-N 1 0 382.331 2.611 20 0 GFADRO COCC[N@H+](C)CCCNC(=O)NCc1cc(C(F)(F)F)cc(Cl)n1 ZINC000872923768 662793764 /nfs/dbraw/zinc/79/37/64/662793764.db2.gz DKGAQYUJMYFDRC-UHFFFAOYSA-N 1 0 382.814 2.521 20 0 GFADRO C[C@H](CN1CCN(C)CC1)[NH2+]Cc1c(Br)c2ccccc2n1C ZINC000873047441 662797548 /nfs/dbraw/zinc/79/75/48/662797548.db2.gz ULVKSBCGHVDSJJ-CQSZACIVSA-N 1 0 379.346 2.666 20 0 GFADRO Cc1ccc(Br)c(F)c1C[NH2+]C[C@@H]1CCC[C@]12NC(=O)N(C)C2=O ZINC000873068803 662798421 /nfs/dbraw/zinc/79/84/21/662798421.db2.gz AKTYQMOXLCNNDR-GTNSWQLSSA-N 1 0 398.276 2.707 20 0 GFADRO CN(CCCCCC[NH3+])C(=O)C(=O)Nc1cc2c(cc1Br)CCC2 ZINC000873112276 662800375 /nfs/dbraw/zinc/80/03/75/662800375.db2.gz WSDJZSUEKJZQHU-UHFFFAOYSA-N 1 0 396.329 2.854 20 0 GFADRO OCCOC1(C[NH2+]Cc2cccc(Cl)c2Br)CCOCC1 ZINC000873120965 662800509 /nfs/dbraw/zinc/80/05/09/662800509.db2.gz BWQCUHXYJWHHMY-UHFFFAOYSA-N 1 0 378.694 2.750 20 0 GFADRO Cc1cc(Br)ncc1NC(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000873312283 662805123 /nfs/dbraw/zinc/80/51/23/662805123.db2.gz KTNFMLFRCIVUFD-DTWKUNHWSA-N 1 0 381.196 2.753 20 0 GFADRO CCc1ccc(Br)c(NC(=O)C(=O)NC2CC[NH+](CC)CC2)c1 ZINC000873654182 662811289 /nfs/dbraw/zinc/81/12/89/662811289.db2.gz MUBCEBPITCGHNK-UHFFFAOYSA-N 1 0 382.302 2.551 20 0 GFADRO CCc1ccc(Br)c(NC(=O)C(=O)NC2CC[NH+](C3CC3)CC2)c1 ZINC000873659642 662811445 /nfs/dbraw/zinc/81/14/45/662811445.db2.gz QWWJLWDGVVENTL-UHFFFAOYSA-N 1 0 394.313 2.693 20 0 GFADRO CCn1ncc(C(=O)Nc2ccc(OCC[NH+](C)C)cc2)c1Br ZINC000874087239 662822386 /nfs/dbraw/zinc/82/23/86/662822386.db2.gz QCWYZAWJXIGSQB-UHFFFAOYSA-N 1 0 381.274 2.858 20 0 GFADRO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)/C=C/c1ccc(I)o1 ZINC000874821306 662837340 /nfs/dbraw/zinc/83/73/40/662837340.db2.gz OAGRGEKVVZQJOJ-JHSWMASBSA-N 1 0 386.233 2.593 20 0 GFADRO Cc1nc2ccc(Br)cn2c1C(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2C ZINC000874829738 662837621 /nfs/dbraw/zinc/83/76/21/662837621.db2.gz NPONCKQQSKHPTM-KBPBESRZSA-N 1 0 377.286 2.714 20 0 GFADRO Cc1nc2ccc(Br)cn2c1C(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2C ZINC000874829741 662837836 /nfs/dbraw/zinc/83/78/36/662837836.db2.gz NPONCKQQSKHPTM-ZIAGYGMSSA-N 1 0 377.286 2.714 20 0 GFADRO C[N@H+](CCNC(=O)NCc1ncc(Br)s1)C1CCCCC1 ZINC000875188085 662843250 /nfs/dbraw/zinc/84/32/50/662843250.db2.gz GGAIOBCNEZVNNG-UHFFFAOYSA-N 1 0 375.336 2.969 20 0 GFADRO CC[N@H+](CCCNC(=O)C(=O)NCc1ncc(Cl)s1)C1CCCCC1 ZINC000875436385 662846001 /nfs/dbraw/zinc/84/60/01/662846001.db2.gz GLNNFLZEQCXGMX-UHFFFAOYSA-N 1 0 386.949 2.574 20 0 GFADRO C[NH+](C)CCOc1cc(C(=O)OCc2nc(C(F)(F)F)cs2)ccn1 ZINC000875577237 662848326 /nfs/dbraw/zinc/84/83/26/662848326.db2.gz NGJRJIHDNCIPBN-UHFFFAOYSA-N 1 0 375.372 2.854 20 0 GFADRO CN(CCCN1CC[NH+](C)CC1)C(=O)NCc1cc(Cl)cc(Cl)c1F ZINC000876224961 662857105 /nfs/dbraw/zinc/85/71/05/662857105.db2.gz PTNCXPXQZMPIRB-UHFFFAOYSA-N 1 0 391.318 2.911 20 0 GFADRO Cc1cc(NC(=O)[C@H](F)[C@@H]2CC[NH2+]C2)n(-c2cccc(Br)c2)n1 ZINC000876600443 662863299 /nfs/dbraw/zinc/86/32/99/662863299.db2.gz RGHSSJRMFJGIKC-IAQYHMDHSA-N 1 0 381.249 2.829 20 0 GFADRO C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000876615685 662863526 /nfs/dbraw/zinc/86/35/26/662863526.db2.gz KUWJFYOPESMYAO-VYOLUMPPSA-N 1 0 379.298 2.761 20 0 GFADRO O=C(/C=C/[C@@H]1CCC[NH2+]C1)N1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000876615455 662863558 /nfs/dbraw/zinc/86/35/58/662863558.db2.gz FOOWMSKVLXTLAR-TTXHZVRDSA-N 1 0 379.298 2.905 20 0 GFADRO O=C(NCc1cc(Br)ccc1OC(F)F)[C@H](F)[C@@H]1CC[NH2+]C1 ZINC000876636025 662863862 /nfs/dbraw/zinc/86/38/62/662863862.db2.gz AVGRRGVNBJRDIP-PRHODGIISA-N 1 0 381.192 2.614 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)/C=C/[C@H]1CCC[NH2+]C1 ZINC000876633233 662863882 /nfs/dbraw/zinc/86/38/82/662863882.db2.gz PAXDTHMRRUMAFM-BTKRWWFXSA-N 1 0 394.313 2.758 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000876636378 662864050 /nfs/dbraw/zinc/86/40/50/662864050.db2.gz WACGDKUDBKIIKR-QAPCUYQASA-N 1 0 394.313 2.735 20 0 GFADRO Cc1cc(Br)ncc1NC(=O)[C@@H](N)C[N@@H+](C)Cc1ccccc1 ZINC000876667163 662864524 /nfs/dbraw/zinc/86/45/24/662864524.db2.gz VARDJUKBBGLGHN-AWEZNQCLSA-N 1 0 377.286 2.550 20 0 GFADRO O=C(Nc1ccc(CCn2cc(Br)cn2)cc1)[C@H](F)[C@H]1CC[NH2+]C1 ZINC000876677461 662864597 /nfs/dbraw/zinc/86/45/97/662864597.db2.gz OTWWFJWACLICKL-XJKSGUPXSA-N 1 0 395.276 2.774 20 0 GFADRO Cc1nc(C2CC[NH2+]CC2)sc1C(=O)NCCOc1ccc(Cl)cn1 ZINC000876783149 662866381 /nfs/dbraw/zinc/86/63/81/662866381.db2.gz VGVDYSQNFHYCID-UHFFFAOYSA-N 1 0 380.901 2.776 20 0 GFADRO O=C(NCc1ccc(I)c(Cl)c1)[C@H](F)[C@H]1CC[NH2+]C1 ZINC000876891792 662867664 /nfs/dbraw/zinc/86/76/64/662867664.db2.gz GEIZGGKNBIUTCK-JOYOIKCWSA-N 1 0 396.631 2.508 20 0 GFADRO COc1ccc([C@@H](C[NH2+]C[C@H]2CC2(Cl)Cl)N2CCOCC2)cc1OC ZINC000876898085 662867898 /nfs/dbraw/zinc/86/78/98/662867898.db2.gz ZHGOTEYKSWDYCJ-HUUCEWRRSA-N 1 0 389.323 2.861 20 0 GFADRO O=C(c1cc(Br)cn2ccnc12)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000876912527 662867994 /nfs/dbraw/zinc/86/79/94/662867994.db2.gz HDAVUEKZXBDLOR-DOMZBBRYSA-N 1 0 377.286 2.701 20 0 GFADRO CCO[P@](C)(=O)CC[C@@H](C)[NH2+]Cc1ccc(CS(=O)(=O)NC)cc1 ZINC000876960313 662868720 /nfs/dbraw/zinc/86/87/20/662868720.db2.gz CNCUJNMCJZEBRJ-FATZIPQQSA-N 1 0 376.459 2.548 20 0 GFADRO [NH3+][C@H](C(=O)N1CCO[C@@H](CC(F)(F)F)C1)c1cccc(Br)c1 ZINC000876978249 662869000 /nfs/dbraw/zinc/86/90/00/662869000.db2.gz HTWPYEAGPXEUSL-RYUDHWBXSA-N 1 0 381.192 2.629 20 0 GFADRO O=C(NCC/C=C/c1ccc(Br)cc1)c1[nH]nc2c1C[NH2+]CC2 ZINC000876991312 662869321 /nfs/dbraw/zinc/86/93/21/662869321.db2.gz KZYHPDFVDAJAST-HNQUOIGGSA-N 1 0 375.270 2.651 20 0 GFADRO CC(C)(C)n1ncc(C(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)c1Br ZINC000877010153 662869573 /nfs/dbraw/zinc/86/95/73/662869573.db2.gz NNQSCVBGDYGTIH-DZGCQCFKSA-N 1 0 391.313 2.886 20 0 GFADRO COC(=O)c1ccc(C[NH2+]CC2CCN(C(C)=O)CC2)cc1Br ZINC000877009898 662869591 /nfs/dbraw/zinc/86/95/91/662869591.db2.gz DUUYDKFQEPQFDL-UHFFFAOYSA-N 1 0 383.286 2.584 20 0 GFADRO C[NH2+]CCOCCNC(=O)C(C)(C)Sc1ccc(Br)cc1 ZINC000877025325 662869770 /nfs/dbraw/zinc/86/97/70/662869770.db2.gz HUEYWNCPKXLZSH-UHFFFAOYSA-N 1 0 375.332 2.672 20 0 GFADRO COC(=O)c1ccc(C[NH2+][C@H]2CCC[C@@H](C(=O)N(C)C)C2)cc1Br ZINC000877044491 662870199 /nfs/dbraw/zinc/87/01/99/662870199.db2.gz AVDHKCURXAEOFX-KGLIPLIRSA-N 1 0 397.313 2.972 20 0 GFADRO C[C@H]1C[C@H](c2ccc(Br)cc2)CN1C(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC000877066986 662870467 /nfs/dbraw/zinc/87/04/67/662870467.db2.gz CCLPQCYLWNHMCR-AAEUAGOBSA-N 1 0 389.297 2.836 20 0 GFADRO C[C@H]([NH3+])CN(C)C(=O)c1ccccc1Sc1ccc(S(C)(=O)=O)cc1 ZINC000877101769 662871084 /nfs/dbraw/zinc/87/10/84/662871084.db2.gz RAYQSWITIBXGIQ-ZDUSSCGKSA-N 1 0 378.519 2.661 20 0 GFADRO CN(C[C@H](O)COc1cc(Cl)cc(Cl)c1)C(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC000877129607 662871489 /nfs/dbraw/zinc/87/14/89/662871489.db2.gz DJDWJMWPHNCPCW-CQDKDKBSSA-N 1 0 375.296 2.709 20 0 GFADRO O=S1(=O)CC[C@]2(C1)C[C@@H]([NH2+]Cc1cc3nc(Cl)ccc3s1)CCO2 ZINC000877139234 662871549 /nfs/dbraw/zinc/87/15/49/662871549.db2.gz IXIWYBOKTUFIPN-MEDUHNTESA-N 1 0 386.926 2.776 20 0 GFADRO Brc1cnc2c(C[NH2+][C@@H]3CC[C@H]4SCCS[C@@H]34)cnn2c1 ZINC000877130093 662871557 /nfs/dbraw/zinc/87/15/57/662871557.db2.gz SYRDYPHUSZFZPL-UPJWGTAASA-N 1 0 385.356 2.961 20 0 GFADRO C[C@H]([NH2+]C1CC1)C(=O)N1CC2(CCOCC2)c2ccc(Br)cc21 ZINC000877139615 662871648 /nfs/dbraw/zinc/87/16/48/662871648.db2.gz UJJMFPKYZGOAJN-LBPRGKRZSA-N 1 0 379.298 2.984 20 0 GFADRO O=C(/C=C/c1ccc(I)o1)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000877245606 662872433 /nfs/dbraw/zinc/87/24/33/662872433.db2.gz JLKNTEVMKNYIDB-HOXWVZTFSA-N 1 0 386.233 2.544 20 0 GFADRO CC(=O)N[C@H](CC(=O)N[C@@H](C)C1CC[NH2+]CC1)c1ccc(Br)cc1 ZINC000877254709 662872516 /nfs/dbraw/zinc/87/25/16/662872516.db2.gz AJDCCJUZWDFOLF-YVEFUNNKSA-N 1 0 396.329 2.521 20 0 GFADRO O=C(c1[nH]nc(-c2ccccc2)c1Br)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000877283040 662873186 /nfs/dbraw/zinc/87/31/86/662873186.db2.gz UNUMDKVWYNLJPJ-OLZOCXBDSA-N 1 0 375.270 2.806 20 0 GFADRO COc1cc(Br)ccc1C(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000877367022 662874850 /nfs/dbraw/zinc/87/48/50/662874850.db2.gz YQRYZNVCFQGRJT-LDYMZIIASA-N 1 0 381.192 2.667 20 0 GFADRO O=C(N[C@@]12CCC[C@@H]1[NH2+]CC2)c1cnn(-c2ccccc2)c1Br ZINC000877387587 662875121 /nfs/dbraw/zinc/87/51/21/662875121.db2.gz OMYMUNZFVGTQHW-WMLDXEAASA-N 1 0 375.270 2.649 20 0 GFADRO O=C(CNC(=O)c1sc2ccccc2c1Cl)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000877388613 662875314 /nfs/dbraw/zinc/87/53/14/662875314.db2.gz CIUIBHANKOUDPB-SCLBCKFNSA-N 1 0 377.897 2.685 20 0 GFADRO O=C(N[C@@]12CCC[C@@H]1[NH2+]CC2)C1CCN(C(=O)c2ccc(Cl)s2)CC1 ZINC000877392811 662875391 /nfs/dbraw/zinc/87/53/91/662875391.db2.gz NWSPPPZTVHUEPE-KBXCAEBGSA-N 1 0 381.929 2.655 20 0 GFADRO O=C(N[C@@]12CCC[C@@H]1[NH2+]CC2)c1[nH]nc(-c2ccccc2)c1Br ZINC000877394229 662875408 /nfs/dbraw/zinc/87/54/08/662875408.db2.gz UCMYNKJOEJADDF-YVEFUNNKSA-N 1 0 375.270 2.854 20 0 GFADRO [NH3+][C@H](C[C@@H]1CCCN(C(=O)Cn2cc(Br)cn2)C1)C1CCCC1 ZINC000877448075 662876149 /nfs/dbraw/zinc/87/61/49/662876149.db2.gz OJFXSOXQSGTMBJ-XJKSGUPXSA-N 1 0 383.334 2.792 20 0 GFADRO Cn1ccnc1[C@@H]1CCC[N@H+](Cc2cnn3cc(Br)cnc23)C1 ZINC000877481092 662876756 /nfs/dbraw/zinc/87/67/56/662876756.db2.gz UVOSSRVSFQUBGY-GFCCVEGCSA-N 1 0 375.274 2.605 20 0 GFADRO O=C([C@H](C[NH2+]C[C@@H]1CC1(Cl)Cl)Cc1cccc(F)c1)N1CCOCC1 ZINC000877485557 662877064 /nfs/dbraw/zinc/87/70/64/662877064.db2.gz ZETFXSCSCJOBBA-GJZGRUSLSA-N 1 0 389.298 2.627 20 0 GFADRO Cc1cc([C@H]2CC[N@H+](Cc3cccc(S(N)(=O)=O)c3)C2)c(O)cc1Cl ZINC000877636255 662880493 /nfs/dbraw/zinc/88/04/93/662880493.db2.gz RGYVWLNZWAGSQD-AWEZNQCLSA-N 1 0 380.897 2.991 20 0 GFADRO CCn1ncc(C[NH2+][C@@H]2CCN(C)[C@@H](c3ccc(Br)cc3)C2)n1 ZINC000877648914 662880726 /nfs/dbraw/zinc/88/07/26/662880726.db2.gz WCAOVPZQLGBEKI-NVXWUHKLSA-N 1 0 378.318 2.986 20 0 GFADRO Cn1ncc(Br)c1C[NH2+]C1CC2(C1)CN(C(=O)OC(C)(C)C)C2 ZINC000877674795 662881533 /nfs/dbraw/zinc/88/15/33/662881533.db2.gz LZYVCSBAAREZTN-UHFFFAOYSA-N 1 0 385.306 2.672 20 0 GFADRO OCCC1(CCO)CC[NH+](Cc2ccccc2I)CC1 ZINC000877689723 662881961 /nfs/dbraw/zinc/88/19/61/662881961.db2.gz BPXUNXWIFRNBHX-UHFFFAOYSA-N 1 0 389.277 2.638 20 0 GFADRO Cn1nnnc1C1CC[NH+](Cc2ccc(Br)c3cccnc23)CC1 ZINC000877781275 662883461 /nfs/dbraw/zinc/88/34/61/662883461.db2.gz YHAMKXYLFXVUAE-UHFFFAOYSA-N 1 0 387.285 2.900 20 0 GFADRO Cn1ncc(Br)c1CC(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000877943520 662886594 /nfs/dbraw/zinc/88/65/94/662886594.db2.gz JTSRFYVVZOUCGJ-AWEZNQCLSA-N 1 0 397.342 2.740 20 0 GFADRO Cn1ncc(Br)c1CC(=O)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000878070564 662889265 /nfs/dbraw/zinc/88/92/65/662889265.db2.gz GRQIPXADXTZDRE-UHFFFAOYSA-N 1 0 377.286 2.960 20 0 GFADRO CC(C)(C)S(=O)(=O)CCC[NH2+][C@@H](CO)c1cccc(Br)c1 ZINC000878397043 662895396 /nfs/dbraw/zinc/89/53/96/662895396.db2.gz MSMVLNVUEKBAMO-AWEZNQCLSA-N 1 0 378.332 2.676 20 0 GFADRO OC[C@H]([NH2+]C[C@@H](O)C[C@H](O)c1ccccc1)c1ccc(Br)cc1 ZINC000878398235 662895480 /nfs/dbraw/zinc/89/54/80/662895480.db2.gz YWMJNBHRFALNJU-BZSNNMDCSA-N 1 0 380.282 2.557 20 0 GFADRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC[C@H](O)c1cc(Br)no1 ZINC000878445422 662896686 /nfs/dbraw/zinc/89/66/86/662896686.db2.gz GPOOBPROSLOOSE-KBMXLJTQSA-N 1 0 394.313 2.971 20 0 GFADRO COC(=O)C[C@@](C)([NH2+]C[C@H](O)c1ccc(Br)cc1)c1ccccn1 ZINC000878457449 662896950 /nfs/dbraw/zinc/89/69/50/662896950.db2.gz VFEPNWPQCDHJNN-MAUKXSAKSA-N 1 0 393.281 2.946 20 0 GFADRO C[NH+]1CCC(NC(=O)CN2CCC(c3ccccc3Br)CC2)CC1 ZINC000878484649 662897376 /nfs/dbraw/zinc/89/73/76/662897376.db2.gz USYOXFHDFQGFTJ-UHFFFAOYSA-N 1 0 394.357 2.839 20 0 GFADRO O[C@@H](CN1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1)c1cc(Br)no1 ZINC000878536158 662898505 /nfs/dbraw/zinc/89/85/05/662898505.db2.gz OCXNCDOWFPGFKE-XHSDSOJGSA-N 1 0 392.297 2.534 20 0 GFADRO C[C@](CO)([NH2+]C[C@H](O)CC1(O)CCCCC1)c1ccc(Br)cc1 ZINC000878603059 662899962 /nfs/dbraw/zinc/89/99/62/662899962.db2.gz OTSCNSUFTKIXPP-IAGOWNOFSA-N 1 0 386.330 2.692 20 0 GFADRO C[N@H+](CCc1nc(-c2ccccc2)no1)C[C@H](O)c1cc(Br)no1 ZINC000878606720 662900209 /nfs/dbraw/zinc/90/02/09/662900209.db2.gz PBUVNJSZZVADGO-LBPRGKRZSA-N 1 0 393.241 2.695 20 0 GFADRO Cc1cc2scc(CC(=O)NCCC[N@@H+]3CCC[C@@H](C(N)=O)C3)c2s1 ZINC000878634557 662901177 /nfs/dbraw/zinc/90/11/77/662901177.db2.gz AEISXXCKHVPEEG-CYBMUJFWSA-N 1 0 379.551 2.517 20 0 GFADRO O[C@@H](C[NH2+][C@@H]1CCO[C@H]1c1ccc(F)c(F)c1)c1cc(Br)no1 ZINC000879096878 662916359 /nfs/dbraw/zinc/91/63/59/662916359.db2.gz DISXEXMKEUCYMD-XUJVJEKNSA-N 1 0 389.196 2.869 20 0 GFADRO COC(=O)c1cccc(NC(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)c1Br ZINC000879374087 662924515 /nfs/dbraw/zinc/92/45/15/662924515.db2.gz BEAGAPTWGZSQKD-BXUZGUMPSA-N 1 0 396.285 2.794 20 0 GFADRO COCC[N@H+](C[C@@H](O)COc1c(Cl)cccc1Cl)C1CCOCC1 ZINC000879707048 662937597 /nfs/dbraw/zinc/93/75/97/662937597.db2.gz YOMIGZIXMWIWOX-CQSZACIVSA-N 1 0 378.296 2.861 20 0 GFADRO Cn1cc(NC(=O)NCC2CCN(c3cc[nH+]cc3)CC2)c(Br)n1 ZINC000880051438 662947624 /nfs/dbraw/zinc/94/76/24/662947624.db2.gz MPGNXUNXTQJLNL-UHFFFAOYSA-N 1 0 393.289 2.616 20 0 GFADRO C[C@@H](NC(=O)Nc1cn(C)nc1Br)[C@H](c1ccccc1)[NH+](C)C ZINC000880056679 662948359 /nfs/dbraw/zinc/94/83/59/662948359.db2.gz QNXUXIRHBAPIIR-BXUZGUMPSA-N 1 0 380.290 2.996 20 0 GFADRO COc1ccc([C@H](C[NH+](C)C)NC(=O)Nc2cn(C)nc2Br)cc1 ZINC000880060472 662949080 /nfs/dbraw/zinc/94/90/80/662949080.db2.gz WCYLCTIHGVIODK-ZDUSSCGKSA-N 1 0 396.289 2.616 20 0 GFADRO Brc1cc2c(cc1CN1CCC[C@@H]([NH2+]C3CCOCC3)C1)OCO2 ZINC000880210446 662954479 /nfs/dbraw/zinc/95/44/79/662954479.db2.gz BHBKCAMUNJXZQT-OAHLLOKOSA-N 1 0 397.313 2.911 20 0 GFADRO NC(=O)c1ccc(C[NH2+][C@@]2(c3ccc(Br)cc3)C[C@@H](O)C2)cc1 ZINC000880221246 662955354 /nfs/dbraw/zinc/95/53/54/662955354.db2.gz MFKJQJGOPDXNIC-MAEOIBBWSA-N 1 0 375.266 2.688 20 0 GFADRO O[C@@H](COc1c(Cl)cccc1Cl)C[NH+]1CCC2(CC1)COCCO2 ZINC000880540591 662961853 /nfs/dbraw/zinc/96/18/53/662961853.db2.gz JRKREPPRMIBXQQ-CYBMUJFWSA-N 1 0 376.280 2.615 20 0 GFADRO C[C@H](C(=O)Nc1ccc(Br)cc1)[N@@H+]1C[C@@H](O)CC2(CCOCC2)C1 ZINC000880584131 662963229 /nfs/dbraw/zinc/96/32/29/662963229.db2.gz NBMYLXRKOMRCNK-CJNGLKHVSA-N 1 0 397.313 2.640 20 0 GFADRO C[N@@H+]1CC[C@@]2(CCN(C(=O)Nc3c4c(ccc3Br)OCC4)C2)C1 ZINC000880799136 662970578 /nfs/dbraw/zinc/97/05/78/662970578.db2.gz NUSXSNCXGAGOTI-QGZVFWFLSA-N 1 0 380.286 2.944 20 0 GFADRO COCCN(CC[NH+](C)C)C(=O)Nc1cc(C(C)=O)ccc1Br ZINC000880805250 662972782 /nfs/dbraw/zinc/97/27/82/662972782.db2.gz JHFFHBJFMRJCIW-UHFFFAOYSA-N 1 0 386.290 2.694 20 0 GFADRO CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)N[C@H](c2cccc(Cl)c2)C(F)F)C1 ZINC000881215511 662984967 /nfs/dbraw/zinc/98/49/67/662984967.db2.gz IKVYYHPGAJVWKM-UONOGXRCSA-N 1 0 375.847 2.791 20 0 GFADRO COc1ccc(C(=O)N2CCN(c3cc[nH+]cc3)[C@H](C)C2)nc1Br ZINC000881632438 662998400 /nfs/dbraw/zinc/99/84/00/662998400.db2.gz NNQHAAKIHUNSGL-GFCCVEGCSA-N 1 0 391.269 2.599 20 0 GFADRO C[C@H]1CN(C(=O)c2cc(Br)cnc2F)CCN1c1cc[nH+]cc1 ZINC000881629907 662998418 /nfs/dbraw/zinc/99/84/18/662998418.db2.gz KOFMPANBPMECTM-NSHDSACASA-N 1 0 379.233 2.729 20 0 GFADRO C[S@](=O)(=NS(=O)(=O)N1CCC([NH+]2CCCCC2)CC1)C1CCCCC1 ZINC000881795883 663003586 /nfs/dbraw/zinc/00/35/86/663003586.db2.gz PGUPGVVXHNXJMT-XMMPIXPASA-N 1 0 391.603 2.612 20 0 GFADRO O=S(=O)(CC=C(Cl)Cl)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000882393559 663026637 /nfs/dbraw/zinc/02/66/37/663026637.db2.gz ALUDMWAMGNGVOP-UHFFFAOYSA-N 1 0 378.325 2.532 20 0 GFADRO CC1([NH+]2CCC2)CCN(S(=O)(=O)c2sccc2Br)CC1 ZINC000882769470 663041226 /nfs/dbraw/zinc/04/12/26/663041226.db2.gz XSZWRIYCVMMGTG-UHFFFAOYSA-N 1 0 379.345 2.760 20 0 GFADRO COc1cc2[nH+]ccc(NCC[C@H]3CCCS3(=O)=O)c2cc1Br ZINC000882883178 663044476 /nfs/dbraw/zinc/04/44/76/663044476.db2.gz PYQVSPSPSFPBJP-LLVKDONJSA-N 1 0 399.310 2.807 20 0 GFADRO Cn1nc2c(c1C[NH2+]C[C@H](O)c1cccc(Br)c1)CSCC2 ZINC000883112725 663049606 /nfs/dbraw/zinc/04/96/06/663049606.db2.gz VLZJRHVRZXYXSZ-INIZCTEOSA-N 1 0 382.327 2.795 20 0 GFADRO CNS(=O)(=O)CCC[NH2+]Cc1cc(F)ccc1Oc1cncc(Cl)c1 ZINC000883195299 663051133 /nfs/dbraw/zinc/05/11/33/663051133.db2.gz PKTWRVSYPGSRJK-UHFFFAOYSA-N 1 0 387.864 2.695 20 0 GFADRO COC[C@@H]([NH2+]Cc1cc(Br)c(OC)c(OC)c1)[C@@H]1CCCOC1 ZINC000883201315 663051313 /nfs/dbraw/zinc/05/13/13/663051313.db2.gz COGGRNVGCCYMRL-UKRRQHHQSA-N 1 0 388.302 2.998 20 0 GFADRO COc1cc(C[NH2+]CC[C@H]2CCCS2(=O)=O)c(F)cc1Br ZINC000883296550 663052752 /nfs/dbraw/zinc/05/27/52/663052752.db2.gz PTIQAPGJUIJUHM-LLVKDONJSA-N 1 0 380.279 2.654 20 0 GFADRO O=S1(=O)CCC[C@@H]1CC[NH2+]Cc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000883300318 663052981 /nfs/dbraw/zinc/05/29/81/663052981.db2.gz UGNNUEPDEQKOKF-CQSZACIVSA-N 1 0 398.326 2.896 20 0 GFADRO CS(=O)(=O)[C@H]1C[C@H](NCc2nc3ccc(Br)cc3s2)C1 ZINC000883379447 663054309 /nfs/dbraw/zinc/05/43/09/663054309.db2.gz BUIRHBRJRXNOFW-MGCOHNPYSA-N 1 0 375.313 2.724 20 0 GFADRO O=C1Nc2ccc(Br)cc2CC[C@@H]1[NH2+]Cc1cnn2c1CCC2 ZINC000883386947 663054606 /nfs/dbraw/zinc/05/46/06/663054606.db2.gz OZBKKUFINUXQAK-HNNXBMFYSA-N 1 0 375.270 2.635 20 0 GFADRO Clc1cccc(-c2nc(CN3CCN([C@H]4CC[NH2+]C4)CC3)no2)c1Cl ZINC000883428139 663055125 /nfs/dbraw/zinc/05/51/25/663055125.db2.gz MOYHKKNUEAJZHT-LBPRGKRZSA-N 1 0 382.295 2.523 20 0 GFADRO [NH3+]CCCN(CC(=O)Nc1ccc(Br)cc1F)CC(F)(F)F ZINC000883443171 663055263 /nfs/dbraw/zinc/05/52/63/663055263.db2.gz FJQXPSGTPRIEIQ-UHFFFAOYSA-N 1 0 386.187 2.740 20 0 GFADRO Cc1nc(-c2ccc(S(=O)(=O)N(CCC[NH3+])CC(F)(F)F)cc2)co1 ZINC000883469829 663055551 /nfs/dbraw/zinc/05/55/51/663055551.db2.gz BPQLRABPZHMANH-UHFFFAOYSA-N 1 0 377.388 2.552 20 0 GFADRO Cc1cccc2cc(S(=O)(=O)N3CCc4sc(C[NH3+])nc4C3)sc21 ZINC000883481171 663055942 /nfs/dbraw/zinc/05/59/42/663055942.db2.gz ZSPFMWMKXMRJOU-UHFFFAOYSA-N 1 0 379.532 2.872 20 0 GFADRO CCC1([NH3+])CCN(S(=O)(=O)c2cc(C(=O)OC)c(Cl)cc2Cl)CC1 ZINC000883483456 663056092 /nfs/dbraw/zinc/05/60/92/663056092.db2.gz HTYIXLUMMOYIIZ-UHFFFAOYSA-N 1 0 395.308 2.672 20 0 GFADRO O=C(c1ccc(OC(F)F)c(Br)c1)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000883510075 663056405 /nfs/dbraw/zinc/05/64/05/663056405.db2.gz HPIDHIHJMKXFCQ-QWRGUYRKSA-N 1 0 375.213 2.732 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)Nc1cc(Br)cc2c1NC(=O)CO2 ZINC000883592790 663057445 /nfs/dbraw/zinc/05/74/45/663057445.db2.gz SYCIUMBRGXXFIG-CABZTGNLSA-N 1 0 397.273 2.514 20 0 GFADRO CN(C(=O)Cc1csc(-c2sccc2Br)n1)[C@H]1CC[NH2+]C1 ZINC000884028520 663063996 /nfs/dbraw/zinc/06/39/96/663063996.db2.gz JDLJBWYTZVAKGW-JTQLQIEISA-N 1 0 386.340 2.997 20 0 GFADRO [NH3+][C@@H](C(=O)NC[C@@H](CO)Cc1ccc(F)cc1)c1ccc(Br)cc1 ZINC000884080042 663064682 /nfs/dbraw/zinc/06/46/82/663064682.db2.gz IYBLYZWTTUSQCN-SUMWQHHRSA-N 1 0 395.272 2.555 20 0 GFADRO CCC[C@@H](NC(=O)[C@@H]([NH3+])CCS(C)(=O)=O)c1ccc(Cl)c(Cl)c1 ZINC000884112385 663065354 /nfs/dbraw/zinc/06/53/54/663065354.db2.gz KUSYSEKNMZADLA-UONOGXRCSA-N 1 0 381.325 2.713 20 0 GFADRO COCC[C@H]([NH3+])C(=O)NCC(C)(C)Sc1ccc(Br)cc1 ZINC000884156965 663066136 /nfs/dbraw/zinc/06/61/36/663066136.db2.gz PVBKNACPJUJKAJ-ZDUSSCGKSA-N 1 0 375.332 2.800 20 0 GFADRO CN(CC(F)F)C1CCN(C(=O)[C@@H]([NH3+])c2ccc(Br)cc2)CC1 ZINC000884229168 663067227 /nfs/dbraw/zinc/06/72/27/663067227.db2.gz KEDTWTFBEPOTHW-HNNXBMFYSA-N 1 0 390.272 2.637 20 0 GFADRO [NH3+][C@@H]1CCC[C@H](NC(=O)c2cc(Br)nn2-c2ncccc2Cl)C1 ZINC000884267664 663067806 /nfs/dbraw/zinc/06/78/06/663067806.db2.gz KJHDNTFNSZXOPB-ZJUUUORDSA-N 1 0 398.692 2.683 20 0 GFADRO O=C(Nc1ccc([C@H]2C[NH2+]CCO2)cc1)c1nn2c(c1Br)CCC2 ZINC000884408521 663070372 /nfs/dbraw/zinc/07/03/72/663070372.db2.gz KJADFLJIKHLHJT-CQSZACIVSA-N 1 0 391.269 2.505 20 0 GFADRO Cn1ncc(C(F)(F)F)c1CNC(=O)[C@H]([NH3+])c1ccc(Br)cc1 ZINC000884428945 663070664 /nfs/dbraw/zinc/07/06/64/663070664.db2.gz SHMTYMRBYDQOMG-GFCCVEGCSA-N 1 0 391.191 2.518 20 0 GFADRO Cc1csc(C[C@@H]2CCCN(CN3C(=O)C[C@@]4(CCSC4)C3=O)C2)n1 ZINC000884473411 663071144 /nfs/dbraw/zinc/07/11/44/663071144.db2.gz WJPBQHIXUSSRNE-KBXCAEBGSA-N 1 0 379.551 2.546 20 0 GFADRO [NH3+][C@@H](C(=O)NCc1cccc2c1CCOC2)c1ccc(Br)cc1 ZINC000884463233 663071176 /nfs/dbraw/zinc/07/11/76/663071176.db2.gz ANZDBOMHHSDANI-QGZVFWFLSA-N 1 0 375.266 2.838 20 0 GFADRO CN(CCCCCC[NH3+])C(=O)C(=O)N[C@H]1CCSc2ccc(Cl)cc21 ZINC000884523027 663072069 /nfs/dbraw/zinc/07/20/69/663072069.db2.gz OFCCJUPLOPPGQZ-HNNXBMFYSA-N 1 0 383.945 2.971 20 0 GFADRO O=S(=O)(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cnc(Cl)cc1C(F)(F)F ZINC000884959635 663079768 /nfs/dbraw/zinc/07/97/68/663079768.db2.gz MXHDDRYJWVNNAY-VHSXEESVSA-N 1 0 383.823 2.659 20 0 GFADRO O=C(CCOc1ccccc1Br)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000885862569 663099409 /nfs/dbraw/zinc/09/94/09/663099409.db2.gz IESFXJKEZOXABN-OAHLLOKOSA-N 1 0 397.313 2.588 20 0 GFADRO O=C(NC[C@H]1CC[N@@H+]1C1CCOCC1)c1cc(Cl)nc(C(F)(F)F)c1 ZINC000885876038 663100082 /nfs/dbraw/zinc/10/00/82/663100082.db2.gz NFGDVZJKOWTCTL-GFCCVEGCSA-N 1 0 377.794 2.737 20 0 GFADRO O=S(=O)(NC1CC[NH+](C[C@@H]2CCC3(CCC3)CO2)CC1)c1cccs1 ZINC000885936038 663101779 /nfs/dbraw/zinc/10/17/79/663101779.db2.gz ZWNSEVSYWMZVIM-INIZCTEOSA-N 1 0 384.567 2.840 20 0 GFADRO CCCS(=O)(=O)N1CCC([NH2+]Cc2ccccc2OCC(F)F)CC1 ZINC000885922897 663101796 /nfs/dbraw/zinc/10/17/96/663101796.db2.gz KSXITUSGTHJXTJ-UHFFFAOYSA-N 1 0 376.469 2.624 20 0 GFADRO O=S(=O)(c1ccc(Cl)s1)N1CCC[N@H+](C[C@H]2C[C@@]23CCOC3)CC1 ZINC000885975859 663102142 /nfs/dbraw/zinc/10/21/42/663102142.db2.gz YCQXJICWVCJEMX-CZUORRHYSA-N 1 0 390.958 2.525 20 0 GFADRO C[C@H]([NH2+]C[C@@](C)(O)C(F)F)c1ccc(Br)cc1OCCCO ZINC000886213515 663105002 /nfs/dbraw/zinc/10/50/02/663105002.db2.gz UYYWYFINTBNAAJ-ZUZCIYMTSA-N 1 0 382.245 2.877 20 0 GFADRO C[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+]Cc1ccc(Br)cc1C(F)(F)F ZINC000886293659 663107694 /nfs/dbraw/zinc/10/76/94/663107694.db2.gz JMZHWHNMQDCGBX-PELKAZGASA-N 1 0 386.233 2.991 20 0 GFADRO CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]C[C@@H]1CC[C@@]2(CO[C@H](C)C2)O1 ZINC000886332229 663108282 /nfs/dbraw/zinc/10/82/82/663108282.db2.gz QKUIRMNIRHJDKG-QIIPPGSGSA-N 1 0 387.929 2.950 20 0 GFADRO CC(C)[C@@H]([NH2+]C[C@@H](O)COc1ccccc1Br)c1cnn(C)c1 ZINC000886551791 663113550 /nfs/dbraw/zinc/11/35/50/663113550.db2.gz OOOZBPNFMXTWEC-RHSMWYFYSA-N 1 0 382.302 2.909 20 0 GFADRO COC(=O)[C@@H]1CC[C@H]([NH2+]Cc2ccc(S(C)(=O)=O)c(C(F)(F)F)c2)C1 ZINC000886601275 663114468 /nfs/dbraw/zinc/11/44/68/663114468.db2.gz OEKZUUFZUBNWPZ-NEPJUHHUSA-N 1 0 379.400 2.540 20 0 GFADRO COC(=O)c1cc2n(n1)CCC[C@@H]2[NH2+]CCCCn1cc(Br)cn1 ZINC000886603449 663114509 /nfs/dbraw/zinc/11/45/09/663114509.db2.gz ODXHVPOLFYNTRC-ZDUSSCGKSA-N 1 0 396.289 2.534 20 0 GFADRO COC(=O)c1cc2n(n1)CCC[C@@H]2[NH2+]C[C@@H](O)c1ccccc1Br ZINC000886623638 663114962 /nfs/dbraw/zinc/11/49/62/663114962.db2.gz JQPHZVCGBOOKFF-XJKSGUPXSA-N 1 0 394.269 2.590 20 0 GFADRO O=C1NCCN1CC[NH2+][C@@H](c1cccc(Br)c1)C1CCOCC1 ZINC000886744553 663116894 /nfs/dbraw/zinc/11/68/94/663116894.db2.gz ALWKXHVGJGVJRN-MRXNPFEDSA-N 1 0 382.302 2.532 20 0 GFADRO CCC[N@@H+]1CCC[C@H](C(=O)NC2(c3ncc(Br)cn3)CCC2)C1 ZINC000886844285 663123151 /nfs/dbraw/zinc/12/31/51/663123151.db2.gz XURHTAIAEQWSAL-ZDUSSCGKSA-N 1 0 381.318 2.857 20 0 GFADRO Cc1sc(Cc2ncc(Cl)n2C)nc1-c1cn(CCC[NH+](C)C)nn1 ZINC000887428043 663146196 /nfs/dbraw/zinc/14/61/96/663146196.db2.gz NEVXQRYNARDTSA-UHFFFAOYSA-N 1 0 379.921 2.639 20 0 GFADRO CC[C@@](O)(CCC(F)(F)F)CNC(=O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000887510451 663150274 /nfs/dbraw/zinc/15/02/74/663150274.db2.gz HUDXRXTWFHRXPG-GOEBONIOSA-N 1 0 382.492 2.804 20 0 GFADRO Cc1nn(C)c(NC(=O)N2CCN(c3cc[nH+]cc3)C[C@@H]2C)c1Br ZINC000888258379 663184723 /nfs/dbraw/zinc/18/47/23/663184723.db2.gz BAZHHGLJOPAYER-NSHDSACASA-N 1 0 393.289 2.629 20 0 GFADRO COc1ccc(I)c(NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000888592217 663206893 /nfs/dbraw/zinc/20/68/93/663206893.db2.gz UUDKACUAEUJQFX-QWRGUYRKSA-N 1 0 388.249 2.969 20 0 GFADRO O=C(NCc1ccc(Br)c(Br)c1)C12CC[NH+](CC1)C2 ZINC000888677101 663210852 /nfs/dbraw/zinc/21/08/52/663210852.db2.gz NEWVKYCQWIWVAG-UHFFFAOYSA-N 1 0 388.103 2.924 20 0 GFADRO C[C@@H](CC(=O)N1CCN(C)CC[N@H+](C)CC1)c1ccc(Br)cc1 ZINC000888989565 663228542 /nfs/dbraw/zinc/22/85/42/663228542.db2.gz QUERKLFENZWYMG-HNNXBMFYSA-N 1 0 382.346 2.649 20 0 GFADRO C[NH+]1CCC2(CCN2C(=O)C2(c3cccc(Br)c3)CC(=O)C2)CC1 ZINC000889222894 663237872 /nfs/dbraw/zinc/23/78/72/663237872.db2.gz FKMCGCHHJHYNHA-UHFFFAOYSA-N 1 0 391.309 2.747 20 0 GFADRO O=C(c1cc(Br)ccc1C1CC1)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000889741824 663261922 /nfs/dbraw/zinc/26/19/22/663261922.db2.gz GCAKKFGPFMTDCZ-QZTJIDSGSA-N 1 0 393.325 2.998 20 0 GFADRO Cc1nc(-c2ccc(C(=O)N3CC[C@@H]4[C@@H]3CCC[N@@H+]4CCO)s2)cs1 ZINC000889742628 663261980 /nfs/dbraw/zinc/26/19/80/663261980.db2.gz KEPVWBLAQGUTNF-CABCVRRESA-N 1 0 377.535 2.851 20 0 GFADRO O=C(c1oc2ccccc2c1Br)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000889745707 663262367 /nfs/dbraw/zinc/26/23/67/663262367.db2.gz YQBXMBFADYIJGG-KBPBESRZSA-N 1 0 393.281 2.867 20 0 GFADRO Cc1cc(Br)c(F)c(C(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)c1 ZINC000889745576 663262634 /nfs/dbraw/zinc/26/26/34/663262634.db2.gz WPMLTCIIJLVPRH-HUUCEWRRSA-N 1 0 385.277 2.568 20 0 GFADRO O=C(c1cc(-c2ccc(Cl)s2)on1)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000889775162 663266032 /nfs/dbraw/zinc/26/60/32/663266032.db2.gz LQIHOUOUNFASHC-OLZOCXBDSA-N 1 0 381.885 2.728 20 0 GFADRO O=C(c1cccn2ncc(Br)c12)N1CCC([NH2+]C2CCC2)CC1 ZINC000889818359 663270263 /nfs/dbraw/zinc/27/02/63/663270263.db2.gz WWEUKDAJGYAECW-UHFFFAOYSA-N 1 0 377.286 2.844 20 0 GFADRO C[C@H](NC(=O)NC[C@]1(O)CC[N@H+](C)C1)c1cccc(SC(F)(F)F)c1 ZINC000891218254 663330395 /nfs/dbraw/zinc/33/03/95/663330395.db2.gz YYDTYMGTIRSEQS-XHDPSFHLSA-N 1 0 377.432 2.725 20 0 GFADRO CCN(C(=O)NC[C@H]1CCN(c2cccc(Br)c2)C1)[C@@H]1CC[NH2+]C1 ZINC000891426575 663339336 /nfs/dbraw/zinc/33/93/36/663339336.db2.gz SGFNFOGYWMIXII-RHSMWYFYSA-N 1 0 395.345 2.669 20 0 GFADRO C[NH+](C)CCN(Cc1ccsc1)C(=O)c1nn2c(c1Br)CCC2 ZINC000891528051 663342242 /nfs/dbraw/zinc/34/22/42/663342242.db2.gz GPJSSDXWLKDQEL-UHFFFAOYSA-N 1 0 397.342 2.857 20 0 GFADRO C[C@H](NC(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO)c1ccc(Br)cc1 ZINC000891528498 663342271 /nfs/dbraw/zinc/34/22/71/663342271.db2.gz MKIBWPBKROPDHD-IAOVAPTHSA-N 1 0 396.329 2.751 20 0 GFADRO C[C@H](CNC(=O)NCc1cc(N)cc[nH+]1)Oc1cccc(Br)c1 ZINC000891615716 663345471 /nfs/dbraw/zinc/34/54/71/663345471.db2.gz LTIGSHOVVYPTCW-LLVKDONJSA-N 1 0 379.258 2.693 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)NCCSCc2ccnc(Cl)c2)C[C@H]1C(F)(F)F ZINC000891778662 663350115 /nfs/dbraw/zinc/35/01/15/663350115.db2.gz JHEJOFNOEUJORT-NWDGAFQWSA-N 1 0 396.866 2.747 20 0 GFADRO [NH3+][C@H]1C[C@@H](CNC(=O)N[C@@H]2CCCN(c3ccc(Cl)cc3Cl)C2=O)C1 ZINC000891848532 663352916 /nfs/dbraw/zinc/35/29/16/663352916.db2.gz NDOQUOHMDFYSFL-SCDSUCTJSA-N 1 0 385.295 2.525 20 0 GFADRO CCOC(=O)c1ncc(Br)c(N2CCC(C[NH+](CC)CC)CC2)n1 ZINC000891872644 663353576 /nfs/dbraw/zinc/35/35/76/663353576.db2.gz UPBIRIYJSCMHTF-UHFFFAOYSA-N 1 0 399.333 2.974 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)NCCOc2ccc(Cl)c(F)c2)C[C@H]1C(F)(F)F ZINC000891936413 663356107 /nfs/dbraw/zinc/35/61/07/663356107.db2.gz RMILJORFSHXRLP-MWLCHTKSSA-N 1 0 383.773 2.637 20 0 GFADRO C[C@](CO)(NC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1cccc(Br)c1 ZINC000892069350 663361001 /nfs/dbraw/zinc/36/10/01/663361001.db2.gz ITDXDLCJEAKPQT-SOLBZPMBSA-N 1 0 396.329 2.583 20 0 GFADRO COc1ccc(Br)c(CNC(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3C)c1 ZINC000892138142 663363029 /nfs/dbraw/zinc/36/30/29/663363029.db2.gz BOSFMTMFQCCNLP-JKSUJKDBSA-N 1 0 382.302 2.836 20 0 GFADRO C[C@@H]1CN(Cc2cnc(CC(F)(F)F)s2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000892153305 663363459 /nfs/dbraw/zinc/36/34/59/663363459.db2.gz NXIAHBBSYVJGQW-HIFRSBDPSA-N 1 0 376.492 2.706 20 0 GFADRO CN(Cc1cn(C)nc1C(F)(F)F)Cc1ncc(Br)cc1[O-] ZINC000892237489 663366813 /nfs/dbraw/zinc/36/68/13/663366813.db2.gz JTBJXDNTUINUON-UHFFFAOYSA-N 1 0 379.180 2.934 20 0 GFADRO O=C(N[C@H]1[C@@H]2Cc3cc(Br)ccc3[C@@H]21)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000892427829 663373366 /nfs/dbraw/zinc/37/33/66/663373366.db2.gz QQXZFZWIKNBTKY-DFEOGRTESA-N 1 0 390.325 2.872 20 0 GFADRO O=C(NCc1c(Cl)cccc1OC(F)F)NC[C@H]1C[NH2+]CCC1(F)F ZINC000892545034 663376866 /nfs/dbraw/zinc/37/68/66/663376866.db2.gz PZIAVSXFRGUHSV-SECBINFHSA-N 1 0 383.773 2.985 20 0 GFADRO C[N@@H+]1CCC[C@H](N2CCN(c3ncc(Br)c4cccnc43)CC2)C1 ZINC000892561589 663377244 /nfs/dbraw/zinc/37/72/44/663377244.db2.gz PUWKPUKBKCKZGH-AWEZNQCLSA-N 1 0 390.329 2.609 20 0 GFADRO O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CCOc2ccc(Br)cc2C1 ZINC000892591474 663378156 /nfs/dbraw/zinc/37/81/56/663378156.db2.gz XIJUDKRWWPMXJI-BZWBGLRVSA-N 1 0 394.313 2.884 20 0 GFADRO O=C(NCc1ccc(Br)cn1)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000892615643 663378693 /nfs/dbraw/zinc/37/86/93/663378693.db2.gz FSUQRSPLXGXTIU-AWEZNQCLSA-N 1 0 381.318 2.765 20 0 GFADRO CC(C)NS(=O)(=O)c1cccc(C[NH2+]C[C@H]2C[C@]2(C)Br)c1 ZINC000892663007 663380328 /nfs/dbraw/zinc/38/03/28/663380328.db2.gz OQJNIGOLAWZQOM-HIFRSBDPSA-N 1 0 375.332 2.636 20 0 GFADRO CCC1([NH3+])CCN(C(=O)NC[C@H](O)COc2cccc(Cl)c2Cl)CC1 ZINC000892919771 663389707 /nfs/dbraw/zinc/38/97/07/663389707.db2.gz TYXSJLGMFCUYGZ-LBPRGKRZSA-N 1 0 390.311 2.646 20 0 GFADRO CC(=O)Nc1cc(Br)ccc1C[NH2+]C[C@@]1(N(C)C)CCSC1 ZINC000893099426 663396614 /nfs/dbraw/zinc/39/66/14/663396614.db2.gz YNSINOMLLVYKTC-INIZCTEOSA-N 1 0 386.359 2.934 20 0 GFADRO CC(C)CS(=O)(=O)N1CCC([NH2+]Cc2csc(C(F)(F)F)n2)CC1 ZINC000893317912 663406828 /nfs/dbraw/zinc/40/68/28/663406828.db2.gz CDUKGLSCNCYJDI-UHFFFAOYSA-N 1 0 385.477 2.702 20 0 GFADRO O=C(NCC(F)(F)F)[C@@H]1CC[N@H+](Cc2cnc(CC(F)(F)F)s2)C1 ZINC000893710069 663421432 /nfs/dbraw/zinc/42/14/32/663421432.db2.gz FSKYSSYPGGHCDO-MRVPVSSYSA-N 1 0 375.338 2.748 20 0 GFADRO COC(=O)CC1([NH2+]Cc2ccc(Cl)c(C)c2Cl)CCS(=O)(=O)CC1 ZINC000893903848 663430832 /nfs/dbraw/zinc/43/08/32/663430832.db2.gz ZUSAWIUTOOSAPQ-UHFFFAOYSA-N 1 0 394.320 2.902 20 0 GFADRO CC(C)[N@H+](C)CC1CCN(Cc2cn(C)nc2I)CC1 ZINC000893967524 663434236 /nfs/dbraw/zinc/43/42/36/663434236.db2.gz NSDNRHAQHOHJSU-UHFFFAOYSA-N 1 0 390.313 2.577 20 0 GFADRO C[C@@H]([NH2+]C1CCN(C=O)CC1)c1nc(-c2ccc(Br)cc2)no1 ZINC000893976847 663435015 /nfs/dbraw/zinc/43/50/15/663435015.db2.gz TWEOMQWXYLUUKV-LLVKDONJSA-N 1 0 379.258 2.771 20 0 GFADRO F[C@@H]1CC2(CC[C@@H]1[NH2+]CCCCn1cc(Br)cn1)OCCO2 ZINC000894135645 663444963 /nfs/dbraw/zinc/44/49/63/663444963.db2.gz YKKKCTRCWBBBBC-KGLIPLIRSA-N 1 0 376.270 2.649 20 0 GFADRO Cn1nc(Br)nc1CNCc1ccccc1C[NH+]1CCCCC1 ZINC000894158984 663446101 /nfs/dbraw/zinc/44/61/01/663446101.db2.gz UYRPGNRQQILTRN-UHFFFAOYSA-N 1 0 378.318 2.853 20 0 GFADRO Cn1nc(Br)nc1C[NH2+]CCc1ccc(Br)s1 ZINC000894204287 663448457 /nfs/dbraw/zinc/44/84/57/663448457.db2.gz MFQHEGHSCDXQJA-UHFFFAOYSA-N 1 0 380.109 2.734 20 0 GFADRO CC(C)c1nnc(C[NH2+]CCCNS(=O)(=O)c2ccccc2Cl)s1 ZINC000894232162 663450124 /nfs/dbraw/zinc/45/01/24/663450124.db2.gz WLLCHNHJRVGRLX-UHFFFAOYSA-N 1 0 388.946 2.773 20 0 GFADRO CC[S@](=O)[C@H]1CCC[C@H]([NH2+]Cc2sc(N3CCOCC3)nc2Cl)C1 ZINC000894323051 663454263 /nfs/dbraw/zinc/45/42/63/663454263.db2.gz BDHUKHYHZPKCEY-ORPWPGRKSA-N 1 0 391.990 2.803 20 0 GFADRO CC(C)[C@H]1OCCC[C@H]1C[NH2+]Cc1cn(C)nc1I ZINC000894317838 663454422 /nfs/dbraw/zinc/45/44/22/663454422.db2.gz WFVBWDIJVBTLSI-WCQYABFASA-N 1 0 377.270 2.566 20 0 GFADRO C[C@@H]([NH2+]Cc1sc(N2CCOCC2)nc1Cl)[C@H](O)c1cccc(F)c1 ZINC000894325202 663454762 /nfs/dbraw/zinc/45/47/62/663454762.db2.gz GCLNFHROZVXXPS-ABAIWWIYSA-N 1 0 385.892 2.984 20 0 GFADRO Clc1nc(N2CCOCC2)sc1C[NH2+]CCOc1ccc(Cl)cn1 ZINC000894330929 663455139 /nfs/dbraw/zinc/45/51/39/663455139.db2.gz YZWFOACBIPWDTP-UHFFFAOYSA-N 1 0 389.308 2.850 20 0 GFADRO COc1ccc(C[C@@H](C)C[NH2+]Cc2nc(Br)nn2C)cc1OC ZINC000894369651 663458483 /nfs/dbraw/zinc/45/84/83/663458483.db2.gz BAMZJTKBEWUGIE-LLVKDONJSA-N 1 0 383.290 2.563 20 0 GFADRO Cn1cc(CN[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)c(I)n1 ZINC000894366932 663458530 /nfs/dbraw/zinc/45/85/30/663458530.db2.gz IJEDCOFEBLSFCR-HUUCEWRRSA-N 1 0 396.276 2.560 20 0 GFADRO Cc1cc(N)nc(N2CC[C@@]3(C)[C@@H](C2)C3(Br)Br)[nH+]1 ZINC000894489686 663464943 /nfs/dbraw/zinc/46/49/43/663464943.db2.gz FJXOQZWYPKYCMZ-KCJUWKMLSA-N 1 0 376.096 2.700 20 0 GFADRO Cc1cccc(C[C@@H](CO)[NH2+]Cc2sc(N3CCOCC3)nc2Cl)c1 ZINC000894534042 663467277 /nfs/dbraw/zinc/46/72/77/663467277.db2.gz WTSWIWBGSSCEKJ-HNNXBMFYSA-N 1 0 381.929 2.635 20 0 GFADRO Cn1nc(Br)nc1C[NH2+][C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000894535976 663467670 /nfs/dbraw/zinc/46/76/70/663467670.db2.gz ZUMXPGFVACYTMI-WDEREUQCSA-N 1 0 388.310 2.503 20 0 GFADRO CC(C)[C@@H]([NH2+]Cc1cn(C)nc1I)[C@H](O)c1ccccc1 ZINC000894596835 663470545 /nfs/dbraw/zinc/47/05/45/663470545.db2.gz DNQCRGICJLAZMY-HUUCEWRRSA-N 1 0 399.276 2.873 20 0 GFADRO CC(C)[C@@H]([NH2+]Cc1c(I)cnn1C)[C@H](O)c1ccccc1 ZINC000894597172 663470642 /nfs/dbraw/zinc/47/06/42/663470642.db2.gz GTVCXWXAOMNTNW-HZPDHXFCSA-N 1 0 399.276 2.873 20 0 GFADRO C[N@@H+]1C[C@@H]2CCN(C(=O)N[C@@H]3CCOc4c(Br)cccc43)[C@@H]2C1 ZINC000894622668 663472765 /nfs/dbraw/zinc/47/27/65/663472765.db2.gz LBLXEHRCIMRGTJ-NILFDRSVSA-N 1 0 380.286 2.618 20 0 GFADRO C[NH+]1CCC2(CCN2C(=O)N[C@H]2COc3cc(F)c(Br)cc32)CC1 ZINC000894633046 663473428 /nfs/dbraw/zinc/47/34/28/663473428.db2.gz DAWZLJMZMZIVGL-AWEZNQCLSA-N 1 0 398.276 2.901 20 0 GFADRO C[C@@H]([NH2+]CCC(=O)Nc1cc(Cl)cc(Cl)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000894639826 663473840 /nfs/dbraw/zinc/47/38/40/663473840.db2.gz VCYJNSHMHNSRSG-GHMZBOCLSA-N 1 0 379.309 2.735 20 0 GFADRO COC(=O)[C@@H]1[C@@H](C[NH2+][C@@H](c2cncc(Br)c2)C2CC2)C1(F)F ZINC000894690715 663476545 /nfs/dbraw/zinc/47/65/45/663476545.db2.gz UMBZRZIBMKHGQR-FRRDWIJNSA-N 1 0 375.213 2.939 20 0 GFADRO COc1ccc(C[C@H](CO)C[NH2+]Cc2nccn2C2CC2)cc1Br ZINC000894751360 663479449 /nfs/dbraw/zinc/47/94/49/663479449.db2.gz STFLQZCCCXFSHA-AWEZNQCLSA-N 1 0 394.313 2.930 20 0 GFADRO C[N@H+]1C[C@H]2CC[C@@H](C1)N2c1ncnc2c1c(Br)nn2C(C)(C)C ZINC000894878969 663486444 /nfs/dbraw/zinc/48/64/44/663486444.db2.gz MTZZMUNUPFSPEO-PHIMTYICSA-N 1 0 379.306 2.627 20 0 GFADRO COCO[C@@H](C)c1cc(F)c(C[NH2+]C[C@H]2COCO2)cc1Br ZINC000894886061 663486663 /nfs/dbraw/zinc/48/66/63/663486663.db2.gz BVJJURRRNASPST-JQWIXIFHSA-N 1 0 378.238 2.732 20 0 GFADRO Cc1ccnc(N)c1C[NH2+]C[C@@H](CO)Cc1ccc(F)c(Br)c1 ZINC000894927914 663488886 /nfs/dbraw/zinc/48/88/86/663488886.db2.gz MDWCVWFZVPCLME-ZDUSSCGKSA-N 1 0 382.277 2.815 20 0 GFADRO CC(C)(C)OC(=O)NCC1(O)CC[NH+](C[C@H]2C[C@]2(C)Br)CC1 ZINC000894957235 663491639 /nfs/dbraw/zinc/49/16/39/663491639.db2.gz DWTZTNOHJNHAFF-DOMZBBRYSA-N 1 0 377.323 2.512 20 0 GFADRO C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)c1cnc(F)c(Br)c1 ZINC000895264518 663505938 /nfs/dbraw/zinc/50/59/38/663505938.db2.gz BVUPADAERKKIBC-NSHDSACASA-N 1 0 379.233 2.729 20 0 GFADRO Cc1nn(-c2ccccc2Br)cc1C[NH2+][C@H]1C(=O)NCC1(C)C ZINC000895322760 663508234 /nfs/dbraw/zinc/50/82/34/663508234.db2.gz WGWNCEHEVKUPDY-HNNXBMFYSA-N 1 0 377.286 2.557 20 0 GFADRO Cn1nc(Br)nc1CN[C@H]1CCN(c2ccc(Cl)cc2F)C1 ZINC000895405063 663511903 /nfs/dbraw/zinc/51/19/03/663511903.db2.gz JBRKQMDNYVVMNP-JTQLQIEISA-N 1 0 388.672 2.739 20 0 GFADRO C[C@H]([NH2+]Cc1cnc(Br)cn1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000895407629 663512196 /nfs/dbraw/zinc/51/21/96/663512196.db2.gz GIDXZCKPGVJMPF-WMLDXEAASA-N 1 0 391.313 2.618 20 0 GFADRO C[NH+](C)C1CCC(NC(=O)N[C@@](C)(CO)c2cccc(Br)c2)CC1 ZINC000895420126 663513324 /nfs/dbraw/zinc/51/33/24/663513324.db2.gz RHYZEOSWCLOLSF-HTWSVDAQSA-N 1 0 398.345 2.829 20 0 GFADRO O=C1CC[N@H+](Cc2sc(N3CCOCC3)nc2Cl)CCCCCCN1 ZINC000895439459 663514079 /nfs/dbraw/zinc/51/40/79/663514079.db2.gz BKKSXPSXZOMJEX-UHFFFAOYSA-N 1 0 386.949 2.515 20 0 GFADRO CC[C@H]([NH2+]Cc1cn(C)nc1I)[C@@H](O)c1ccccc1 ZINC000895476719 663516538 /nfs/dbraw/zinc/51/65/38/663516538.db2.gz NCKKACGUALWZAL-KBPBESRZSA-N 1 0 385.249 2.627 20 0 GFADRO CC[C@@H]([NH2+]Cc1c(I)cnn1C)[C@@H](O)c1ccccc1 ZINC000895477208 663516546 /nfs/dbraw/zinc/51/65/46/663516546.db2.gz RZUNTGJHUIDSCV-HIFRSBDPSA-N 1 0 385.249 2.627 20 0 GFADRO COC(=O)c1ccc(C[NH2+][C@@]2(c3ccc(Br)cc3)C[C@@H](O)C2)[nH]1 ZINC000895513325 663517506 /nfs/dbraw/zinc/51/75/06/663517506.db2.gz YWDVYKABHCDUDZ-KDYLLFBJSA-N 1 0 379.254 2.704 20 0 GFADRO CCC[NH+]1CCC(NC(=O)[C@@H]2Cc3ccc(Br)cc3C(=O)O2)CC1 ZINC000895520976 663517730 /nfs/dbraw/zinc/51/77/30/663517730.db2.gz AIEPKPVIEMLAMT-INIZCTEOSA-N 1 0 395.297 2.521 20 0 GFADRO Cn1ncc(I)c1C[NH2+]C[C@@]1(C)OCCc2ccccc21 ZINC000895637901 663521917 /nfs/dbraw/zinc/52/19/17/663521917.db2.gz ANMUSYYUWIHSBD-MRXNPFEDSA-N 1 0 397.260 2.602 20 0 GFADRO CN(CC[N@H+](C)C1CCCCC1)C(=O)c1nn2c(c1Br)CCC2 ZINC000895788073 663527821 /nfs/dbraw/zinc/52/78/21/663527821.db2.gz FQGIMNBDGGGPED-UHFFFAOYSA-N 1 0 383.334 2.928 20 0 GFADRO CC(C)[N@H+](C)CC1CCN(C(=O)c2nn3c(c2Br)CCC3)CC1 ZINC000895848009 663530020 /nfs/dbraw/zinc/53/00/20/663530020.db2.gz QIKHKLJJOZKRIE-UHFFFAOYSA-N 1 0 383.334 2.784 20 0 GFADRO Cc1ccc([C@@H](CNC(=O)c2cn(C)nc2Br)[NH+]2CCCC2)o1 ZINC000896063496 663539293 /nfs/dbraw/zinc/53/92/93/663539293.db2.gz ANJGURAHAIXIRS-CYBMUJFWSA-N 1 0 381.274 2.651 20 0 GFADRO Brc1cnc2c(C[N@@H+]3C[C@@H]4COC[C@]4(c4ccccc4)C3)cnn2c1 ZINC000896219287 663545647 /nfs/dbraw/zinc/54/56/47/663545647.db2.gz CPFJAHHIXLSEBA-APWZRJJASA-N 1 0 399.292 2.892 20 0 GFADRO Fc1cccc(C[N@@H+]2CC[C@H](C3OCCO3)C2)c1I ZINC000896379347 663554042 /nfs/dbraw/zinc/55/40/42/663554042.db2.gz XRHNMZWECBARBT-NSHDSACASA-N 1 0 377.197 2.625 20 0 GFADRO C[C@@H](NC(=O)c1ccc2ccc(Br)cc2c1)[C@@H]1C[N@H+](C)CCN1C ZINC000896525961 663560278 /nfs/dbraw/zinc/56/02/78/663560278.db2.gz CJLCNWWTOUHKMG-ACJLOTCBSA-N 1 0 390.325 2.966 20 0 GFADRO CCOC(=O)[C@@H]1CC[C@H]([NH2+]CC(C)(C)CS(C)(=O)=O)C[C@@H]1C(F)(F)F ZINC000896868816 663580074 /nfs/dbraw/zinc/58/00/74/663580074.db2.gz OSDOVGMXAYLYRX-XQQFMLRXSA-N 1 0 387.464 2.557 20 0 GFADRO O=C1N[C@@H](C2CC[NH+](Cc3ccccc3I)CC2)CO1 ZINC000897027126 663587466 /nfs/dbraw/zinc/58/74/66/663587466.db2.gz IMTVIJBHBCRPCH-CQSZACIVSA-N 1 0 386.233 2.612 20 0 GFADRO O=C1NC[C@@H](O)CC12CC[NH+](Cc1cc(Cl)cc(C(F)(F)F)c1)CC2 ZINC000897042074 663587932 /nfs/dbraw/zinc/58/79/32/663587932.db2.gz MFEMHASURBTLDW-AWEZNQCLSA-N 1 0 376.806 2.822 20 0 GFADRO Cc1ccc(C[NH+]2CCC3(CC2)C[C@@H](O)CNC3=O)c(C)c1Br ZINC000897047027 663588361 /nfs/dbraw/zinc/58/83/61/663588361.db2.gz RILPUXBMKWTWDU-OAHLLOKOSA-N 1 0 381.314 2.529 20 0 GFADRO OC[C@H]1CCC2(CCOCC2)C[N@@H+]1Cc1cn2ccc(Br)cc2n1 ZINC000897178019 663594148 /nfs/dbraw/zinc/59/41/48/663594148.db2.gz ZFENXEZROYNETH-MRXNPFEDSA-N 1 0 394.313 2.850 20 0 GFADRO C[C@@H](Cc1cc(Br)ccc1F)NC(=O)C1C[NH+](C2CCOCC2)C1 ZINC000897211195 663594884 /nfs/dbraw/zinc/59/48/84/663594884.db2.gz OISPKVMOOPIFPA-LBPRGKRZSA-N 1 0 399.304 2.746 20 0 GFADRO CC(C)(C)OC(=O)NOCCC[NH2+]Cc1ncc(Br)cc1F ZINC000897426199 663605375 /nfs/dbraw/zinc/60/53/75/663605375.db2.gz NBDAKFSTJIKSIH-UHFFFAOYSA-N 1 0 378.242 2.919 20 0 GFADRO CC[C@@](O)(CCC(F)(F)F)C[NH2+]Cc1ccc(Cl)c(S(N)(=O)=O)c1 ZINC000897523019 663608315 /nfs/dbraw/zinc/60/83/15/663608315.db2.gz ISFSSMKZSRASKL-CYBMUJFWSA-N 1 0 388.839 2.561 20 0 GFADRO C[N@@H+]1CCCC[C@@H](CNC(=O)N[C@@H](CCO)c2ccccc2Br)C1 ZINC000897550974 663609873 /nfs/dbraw/zinc/60/98/73/663609873.db2.gz AFZBSDTYXIXIRO-YOEHRIQHSA-N 1 0 398.345 2.904 20 0 GFADRO C[N@@H+]1CCCC[C@@H](CNC(=O)N2CCC[C@H]2c2ncc(Br)cn2)C1 ZINC000897561905 663610907 /nfs/dbraw/zinc/61/09/07/663610907.db2.gz KVXXSNCVKSUDMV-ZFWWWQNUSA-N 1 0 396.333 2.818 20 0 GFADRO Cc1noc(C[C@@H]2CCC[N@H+](Cc3cnn4cc(Br)cnc34)C2)n1 ZINC000897577626 663612060 /nfs/dbraw/zinc/61/20/60/663612060.db2.gz UVIJFTWWAZZDKO-LBPRGKRZSA-N 1 0 391.273 2.638 20 0 GFADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]C1C[C@H]2CC[C@@H](C1)S2 ZINC000897749091 663618171 /nfs/dbraw/zinc/61/81/71/663618171.db2.gz UEMSEGQUWWCDST-CPIKKWJDSA-N 1 0 389.974 2.721 20 0 GFADRO Nc1c(Br)cc(Br)cc1C[NH2+][C@@H]1CC12CC(O)C2 ZINC000897847909 663622445 /nfs/dbraw/zinc/62/24/45/663622445.db2.gz FGJBFFQACURAOV-DMLGSKKGSA-N 1 0 376.092 2.797 20 0 GFADRO CN1CCN(Cc2c[nH]nc2-c2ccc(Br)s2)CC[N@H+](C)CC1 ZINC000897858027 663622728 /nfs/dbraw/zinc/62/27/28/663622728.db2.gz ABOSEXHNDLMNDJ-UHFFFAOYSA-N 1 0 398.374 2.580 20 0 GFADRO Cc1ccc(CCC[NH2+][C@H]2Cc3cc(Br)cnc3NC2=O)cn1 ZINC000897977778 663628079 /nfs/dbraw/zinc/62/80/79/663628079.db2.gz KFYXAZPDGKWKDK-HNNXBMFYSA-N 1 0 375.270 2.633 20 0 GFADRO O=C1Nc2ncc(Br)cc2C[C@H]1[NH2+]C[C@@H]1CCOc2ccccc21 ZINC000897978060 663628376 /nfs/dbraw/zinc/62/83/76/663628376.db2.gz LGOFYZUCHATFKF-XHDPSFHLSA-N 1 0 388.265 2.863 20 0 GFADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]C[C@H]1CCCC(C)(C)O1 ZINC000898049959 663631245 /nfs/dbraw/zinc/63/12/45/663631245.db2.gz NZQYJDGBDXOXNN-ZIAGYGMSSA-N 1 0 389.949 2.642 20 0 GFADRO Cn1cc([C@@]2(C[NH2+]Cc3ccccc3I)CCCO2)cn1 ZINC000898061907 663631868 /nfs/dbraw/zinc/63/18/68/663631868.db2.gz PVCVBWDGHOQVDT-INIZCTEOSA-N 1 0 397.260 2.820 20 0 GFADRO COC(=O)c1ccc(C[NH2+][C@@H]2CCOC23CCOCC3)cc1Br ZINC000898111881 663634109 /nfs/dbraw/zinc/63/41/09/663634109.db2.gz HKBMPRZUFIMVAS-OAHLLOKOSA-N 1 0 384.270 2.663 20 0 GFADRO COC(=O)c1[nH]c(C[NH2+][C@](C)(CO)c2cccc(Br)c2)cc1C ZINC000898168759 663637047 /nfs/dbraw/zinc/63/70/47/663637047.db2.gz PALONERYDKGGKV-QGZVFWFLSA-N 1 0 381.270 2.870 20 0 GFADRO CCN(CC)c1ncc(C[NH2+][C@H]2CCN(c3cn[nH]c(=O)c3Cl)C2)s1 ZINC000898362446 663644246 /nfs/dbraw/zinc/64/42/46/663644246.db2.gz FFZXPCHPXHHYIE-NSHDSACASA-N 1 0 382.921 2.507 20 0 GFADRO O=c1[nH]ncc(N2CC[C@@H]([NH2+]Cc3c[nH]nc3-c3ccsc3)C2)c1Cl ZINC000898367122 663644921 /nfs/dbraw/zinc/64/49/21/663644921.db2.gz MFBVXMPRODWTJV-GFCCVEGCSA-N 1 0 376.873 2.656 20 0 GFADRO CCn1c(C[NH2+][C@@H]2COC[C@H]2C2CC2)nc(Br)c1Br ZINC000898376734 663645610 /nfs/dbraw/zinc/64/56/10/663645610.db2.gz NVSSYRLIPVBGQA-VHSXEESVSA-N 1 0 393.123 2.943 20 0 GFADRO CN(C)[S@](C)(=O)=NCC1CC[NH+](Cc2c[nH]nc2-c2cccs2)CC1 ZINC000898398431 663648180 /nfs/dbraw/zinc/64/81/80/663648180.db2.gz FSBYFNDIHIDPEK-RUZDIDTESA-N 1 0 381.571 2.925 20 0 GFADRO CC[C@H](Cc1cccs1)[NH2+][C@H]1CCS(=O)(=O)C2(CC(C(=O)OC)C2)C1 ZINC000898486644 663652069 /nfs/dbraw/zinc/65/20/69/663652069.db2.gz FHDKFLRGJDGAJT-DGSCNEQVSA-N 1 0 385.551 2.558 20 0 GFADRO C[C@H](C[C@@H]1CCOC1)[NH2+][C@H](CO)c1ccccc1I ZINC000898513676 663654500 /nfs/dbraw/zinc/65/45/00/663654500.db2.gz XTWVUUXIWIQHBF-TYNCELHUSA-N 1 0 375.250 2.729 20 0 GFADRO O=C(c1cnn(-c2ccc(Br)cc2)c1)N1CC([NH+]2CCCC2)C1 ZINC000898613328 663658047 /nfs/dbraw/zinc/65/80/47/663658047.db2.gz CGBKQYNTGKNGLX-UHFFFAOYSA-N 1 0 375.270 2.555 20 0 GFADRO COC(=O)c1ccc(C[NH2+][C@@H]2CCc3ncc(Br)n3C2)c(F)c1 ZINC000898717114 663659909 /nfs/dbraw/zinc/65/99/09/663659909.db2.gz GHFNRRZQAQRVDF-GFCCVEGCSA-N 1 0 382.233 2.676 20 0 GFADRO Cn1cc(C[NH2+][C@H]2CCc3ncc(Br)n3C2)c(-c2ccncc2)n1 ZINC000898723287 663660845 /nfs/dbraw/zinc/66/08/45/663660845.db2.gz DJDXCTQSPSULAA-AWEZNQCLSA-N 1 0 387.285 2.546 20 0 GFADRO COc1ccc(C[NH2+][C@H]2CCc3ncc(Br)n3C2)c(OC)c1OC ZINC000898726593 663661674 /nfs/dbraw/zinc/66/16/74/663661674.db2.gz JLUCMYIFRIFRAH-LBPRGKRZSA-N 1 0 396.285 2.776 20 0 GFADRO O=C(NC1CC1)c1ccc(C[NH2+][C@@H]2CCc3ncc(Br)n3C2)cc1 ZINC000898727317 663661804 /nfs/dbraw/zinc/66/18/04/663661804.db2.gz UVQMLYSTNYQIAW-OAHLLOKOSA-N 1 0 389.297 2.642 20 0 GFADRO COCC[N@H+](C)CCCNC(=O)Cc1c[nH]c2ccc(Br)cc12 ZINC000900191658 663709460 /nfs/dbraw/zinc/70/94/60/663709460.db2.gz HOLOSWHPRAUFST-UHFFFAOYSA-N 1 0 382.302 2.557 20 0 GFADRO CC[NH+]1CCN(CCCNC(=O)c2c(C)ccc(F)c2Br)CC1 ZINC000900192295 663709466 /nfs/dbraw/zinc/70/94/66/663709466.db2.gz KUPDVSNVPNXAQF-UHFFFAOYSA-N 1 0 386.309 2.654 20 0 GFADRO C[NH+](C)CCn1nccc1C(=O)NC1(c2ccc(Br)cc2)CC1 ZINC000900284114 663711718 /nfs/dbraw/zinc/71/17/18/663711718.db2.gz OXZHJHCBASTKKR-UHFFFAOYSA-N 1 0 377.286 2.626 20 0 GFADRO CC(C)[NH+]1CCN(CCCC(=O)NCCc2ccccc2Br)CC1 ZINC000900434935 663714417 /nfs/dbraw/zinc/71/44/17/663714417.db2.gz BHVGHUHXFUOBRL-UHFFFAOYSA-N 1 0 396.373 2.914 20 0 GFADRO Cc1cc(NC(=O)C23CC[NH+](CC2)C3)n(-c2cccc(Br)c2)n1 ZINC000900509880 663716103 /nfs/dbraw/zinc/71/61/03/663716103.db2.gz RFAZTMOWNPJGDH-UHFFFAOYSA-N 1 0 375.270 2.978 20 0 GFADRO Cc1c(Br)cccc1Cn1cc(CNC2CC[NH+](C)CC2)nn1 ZINC000900557814 663717060 /nfs/dbraw/zinc/71/70/60/663717060.db2.gz GYRKRTNQLCWONK-UHFFFAOYSA-N 1 0 378.318 2.581 20 0 GFADRO CCc1onc(C)c1Cn1cc([C@H]([NH3+])c2ccc(Br)cc2)nn1 ZINC000900590693 663717575 /nfs/dbraw/zinc/71/75/75/663717575.db2.gz BBDZNGVOMCZHSO-MRXNPFEDSA-N 1 0 376.258 2.996 20 0 GFADRO CCn1c(Br)ncc1C(=O)N(CC[NH+](C)C)Cc1cccc(O)c1 ZINC000901128419 663730749 /nfs/dbraw/zinc/73/07/49/663730749.db2.gz WPUXCEVJSIGOPS-UHFFFAOYSA-N 1 0 395.301 2.575 20 0 GFADRO C[C@@H]1Cc2ccc(Br)cc2CN1C(=O)C[C@@]1(O)CCC[N@H+](C)C1 ZINC000901280468 663733716 /nfs/dbraw/zinc/73/37/16/663733716.db2.gz ZSOJAQRGEJGMQA-ACJLOTCBSA-N 1 0 381.314 2.569 20 0 GFADRO CC[C@@H]1CCCCN1C(=O)[C@H](C)[NH2+][C@@H]1CCc2ncc(Br)n2C1 ZINC000901730392 663743994 /nfs/dbraw/zinc/74/39/94/663743994.db2.gz WKFOYOCQGYAJNC-BFHYXJOUSA-N 1 0 383.334 2.730 20 0 GFADRO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2C(=O)c1ncc(Br)cn1 ZINC000901770346 663745428 /nfs/dbraw/zinc/74/54/28/663745428.db2.gz UBEGHSURFFSNRM-HOCLYGCPSA-N 1 0 387.281 2.996 20 0 GFADRO O[C@@H]1CC[C@H]([NH2+]Cc2cc(Br)ccc2Br)CC[C@@H]1O ZINC000902646709 663765204 /nfs/dbraw/zinc/76/52/04/663765204.db2.gz SWRWPAKZEVCQPM-UBSAEIQESA-N 1 0 393.119 2.966 20 0 GFADRO CCN(CC)S(=O)(=O)c1ccc(C[NH2+][C@@H]2CC[C@@H]3[C@H]4OCC[C@H]4[C@@H]32)s1 ZINC000902776268 663767304 /nfs/dbraw/zinc/76/73/04/663767304.db2.gz NIGZFGKUTSINRS-KCEFYPGHSA-N 1 0 384.567 2.682 20 0 GFADRO C[C@@H]([NH2+]CCNS(=O)(=O)Cc1ccon1)c1ccc(C(F)(F)F)s1 ZINC000902831924 663767996 /nfs/dbraw/zinc/76/79/96/663767996.db2.gz HCKNWNSUHQRTSM-SECBINFHSA-N 1 0 383.417 2.525 20 0 GFADRO Brc1cccc(N2CC[C@H](C[NH2+][C@H]3CCO[C@@]34CCOC4)C2)c1 ZINC000903076609 663772415 /nfs/dbraw/zinc/77/24/15/663772415.db2.gz SMYAJJRIJDVVRZ-FHLIZLRMSA-N 1 0 381.314 2.813 20 0 GFADRO CCOC(=O)C(F)(F)[C@H]1CC[C@@H]([NH2+]Cc2cn(C)nc2Br)C1 ZINC000903187819 663777461 /nfs/dbraw/zinc/77/74/61/663777461.db2.gz HVKXWQRAERNGSA-WDEREUQCSA-N 1 0 380.233 2.639 20 0 GFADRO CO[C@H](C[NH2+][C@@H](C)c1cccc(S(=O)(=O)C(F)(F)F)c1)[C@H]1CCOC1 ZINC000903195887 663778053 /nfs/dbraw/zinc/77/80/53/663778053.db2.gz CMWIEKJNUIFZPW-CORIIIEPSA-N 1 0 381.416 2.682 20 0 GFADRO Clc1ccc(I)c(C[NH2+][C@H]2CCO[C@@]23CCOC3)c1 ZINC000903198745 663778250 /nfs/dbraw/zinc/77/82/50/663778250.db2.gz FJESYWXUBPVOPT-UONOGXRCSA-N 1 0 393.652 2.982 20 0 GFADRO Brc1cccc([C@@H]([NH2+]CCN2CCCOCC2)[C@H]2CCOC2)c1 ZINC000903225861 663779087 /nfs/dbraw/zinc/77/90/87/663779087.db2.gz CIIHMYWPZYFPPU-FUHWJXTLSA-N 1 0 383.330 2.839 20 0 GFADRO CS(C)(=O)=NS(=O)(=O)CC[NH2+][C@H]1CCC[C@H]1c1ccccc1Cl ZINC000903227945 663779423 /nfs/dbraw/zinc/77/94/23/663779423.db2.gz WLDQKEOTQSGJTE-ZFWWWQNUSA-N 1 0 378.947 2.623 20 0 GFADRO CO[C@@]1(C[NH2+][C@H](C)c2cc(S(N)(=O)=O)c(Cl)cc2Cl)CCSC1 ZINC000903314401 663781283 /nfs/dbraw/zinc/78/12/83/663781283.db2.gz NBXPORQPTCSVOJ-YMTOWFKASA-N 1 0 399.365 2.814 20 0 GFADRO C[C@H]([NH2+][C@@H]1Cc2cc(Br)cnc2NC1=O)c1ccc2c(c1)OCO2 ZINC000903326451 663782140 /nfs/dbraw/zinc/78/21/40/663782140.db2.gz QCZSWTGCSALRDJ-TVQRCGJNSA-N 1 0 390.237 2.787 20 0 GFADRO CO[C@]1(C[NH2+][C@@H]2CCc3cc(Br)cc(C)c32)CCS(=O)(=O)C1 ZINC000903363673 663782742 /nfs/dbraw/zinc/78/27/42/663782742.db2.gz QNIGMUNRXIHLBX-ZBFHGGJFSA-N 1 0 388.327 2.538 20 0 GFADRO CC[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C[C@]1(OC)CCS(=O)(=O)C1 ZINC000903363867 663782865 /nfs/dbraw/zinc/78/28/65/663782865.db2.gz RTVFPSWLRKMSEL-JKSUJKDBSA-N 1 0 379.444 2.820 20 0 GFADRO CO[C@@]1(C[NH2+][C@@H](c2cccc(C(F)(F)F)c2)C2CC2)CCS(=O)(=O)C1 ZINC000903364843 663782889 /nfs/dbraw/zinc/78/28/89/663782889.db2.gz CMXWRDVERJKXMR-HZPDHXFCSA-N 1 0 377.428 2.950 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCN(c2cn[nH]c(=O)c2Cl)C1)c1ccc(Br)cn1 ZINC000903433576 663784536 /nfs/dbraw/zinc/78/45/36/663784536.db2.gz BZQSELJZLBUAGG-GXSJLCMTSA-N 1 0 398.692 2.923 20 0 GFADRO C[C@@H]([NH2+][C@@H]1CCN(c2cn[nH]c(=O)c2Cl)C1)c1ccc(Br)cn1 ZINC000903433578 663784717 /nfs/dbraw/zinc/78/47/17/663784717.db2.gz BZQSELJZLBUAGG-MWLCHTKSSA-N 1 0 398.692 2.923 20 0 GFADRO O=c1[nH]ncc(N2CC[C@@H]([NH2+][C@@H]3COCc4cccc(Cl)c43)C2)c1Cl ZINC000903436252 663784802 /nfs/dbraw/zinc/78/48/02/663784802.db2.gz VFAJBEBOWYXPLN-DGCLKSJQSA-N 1 0 381.263 2.929 20 0 GFADRO C[C@H]([NH2+][C@@H]1COC[C@@H]1C1CC1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000903438212 663784867 /nfs/dbraw/zinc/78/48/67/663784867.db2.gz STUCPRMGIJGSNM-OLXJLDBKSA-N 1 0 379.309 2.716 20 0 GFADRO CCOC(=O)NC1CCC([NH2+][C@@H]2CCc3ncc(Br)n3C2)CC1 ZINC000903477543 663785289 /nfs/dbraw/zinc/78/52/89/663785289.db2.gz AOMBAEISJGUQID-WXRRBKDZSA-N 1 0 385.306 2.607 20 0 GFADRO O=S(=O)(c1c[nH]c2ncc(Cl)cc12)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000903507719 663785978 /nfs/dbraw/zinc/78/59/78/663785978.db2.gz IYAOWKZBOOGUEC-CYBMUJFWSA-N 1 0 382.917 2.617 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CCCN(S(=O)(=O)Cc2cccc(Cl)c2Br)C1 ZINC000903513770 663786382 /nfs/dbraw/zinc/78/63/82/663786382.db2.gz XKISRQLLRYCPNP-GHMZBOCLSA-N 1 0 395.750 2.992 20 0 GFADRO CN(C1CCC([NH3+])CC1)S(=O)(=O)Cc1cccc(F)c1Br ZINC000903513663 663786384 /nfs/dbraw/zinc/78/63/84/663786384.db2.gz RNUOUSATXCBGLQ-UHFFFAOYSA-N 1 0 379.295 2.620 20 0 GFADRO [NH3+][C@@H]1CN(CCC(=O)Nc2ccccc2Br)C[C@H]1C(F)(F)F ZINC000903518122 663786705 /nfs/dbraw/zinc/78/67/05/663786705.db2.gz MZRBQGPNJSAWFD-MWLCHTKSSA-N 1 0 380.208 2.599 20 0 GFADRO COC(=O)c1cc(Cl)ccc1S(=O)(=O)N1CCC(C(C)(C)C[NH3+])CC1 ZINC000903521042 663786964 /nfs/dbraw/zinc/78/69/64/663786964.db2.gz GEFLXWUDZHXBGB-UHFFFAOYSA-N 1 0 388.917 2.512 20 0 GFADRO [NH3+][C@@H]1CN(CC(=O)Nc2ccc(Br)cc2)CC[C@@H]1C(F)(F)F ZINC000903535271 663787587 /nfs/dbraw/zinc/78/75/87/663787587.db2.gz WYUZHNNXOFJUKM-NWDGAFQWSA-N 1 0 380.208 2.599 20 0 GFADRO Cc1cccc2cc(S(=O)(=O)N[C@@H]3C[NH2+]CC4(CCOCC4)C3)sc21 ZINC000903543955 663788034 /nfs/dbraw/zinc/78/80/34/663788034.db2.gz DPMWIGXOSXPJLI-HNNXBMFYSA-N 1 0 380.535 2.647 20 0 GFADRO O=S(=O)(c1c(Cl)cccc1Cl)N1CC[NH2+]CCC12CCOCC2 ZINC000903548213 663788334 /nfs/dbraw/zinc/78/83/34/663788334.db2.gz XJDOJALMMCNUNN-UHFFFAOYSA-N 1 0 379.309 2.527 20 0 GFADRO CC(C)c1ccc(Cl)c(S(=O)(=O)N2CC[NH2+]CCC23CCOCC3)c1 ZINC000903549928 663788366 /nfs/dbraw/zinc/78/83/66/663788366.db2.gz TZVZAWBIGQVICH-UHFFFAOYSA-N 1 0 386.945 2.997 20 0 GFADRO Cc1cc(S(=O)(=O)N[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c(C)s1 ZINC000903573516 663789411 /nfs/dbraw/zinc/78/94/11/663789411.db2.gz JRDFRBGZIHLABL-MAUKXSAKSA-N 1 0 378.519 2.899 20 0 GFADRO C[C@]1(CS(=O)(=O)N2C[C@@H](C[NH3+])Cc3cc(F)ccc32)CC1(Cl)Cl ZINC000903588584 663790776 /nfs/dbraw/zinc/79/07/76/663790776.db2.gz LEWWJITZPAYPIY-QMTHXVAHSA-N 1 0 381.300 2.677 20 0 GFADRO COC(=O)c1ccc(Br)c(C)c1NC(=O)COC1CC[NH+](C)CC1 ZINC000903661568 663798997 /nfs/dbraw/zinc/79/89/97/663798997.db2.gz RGEWRKNSRUBRDY-UHFFFAOYSA-N 1 0 399.285 2.593 20 0 GFADRO CC1(C)CN(C(=O)C(=O)N(Cc2cccs2)Cc2cccs2)C[C@H]1[NH3+] ZINC000903715368 663804928 /nfs/dbraw/zinc/80/49/28/663804928.db2.gz HITLIEORGFWWDW-OAHLLOKOSA-N 1 0 377.535 2.534 20 0 GFADRO FC(F)(F)c1nc(Br)c2n1CCN(CCC1CC[NH2+]CC1)C2 ZINC000903831591 663807902 /nfs/dbraw/zinc/80/79/02/663807902.db2.gz KHOBDYVDOMQTAL-UHFFFAOYSA-N 1 0 381.240 2.870 20 0 GFADRO COCC[C@@H]1C[NH2+]CCN1Cc1ncc(-c2cccc(Br)c2)o1 ZINC000903836408 663808147 /nfs/dbraw/zinc/80/81/47/663808147.db2.gz LRPQZCRQFYGNHC-OAHLLOKOSA-N 1 0 380.286 2.914 20 0 GFADRO COC(=O)c1cc(Br)c(CN2CCC[C@@]23CC[NH2+]C3)cc1OC ZINC000903869159 663809532 /nfs/dbraw/zinc/80/95/32/663809532.db2.gz COHYNEDVKIUMNA-KRWDZBQOSA-N 1 0 383.286 2.572 20 0 GFADRO CCN(Cc1cnnn1[C@@H]1CCC[NH2+]C1)Cc1ccccc1Br ZINC000903916576 663811460 /nfs/dbraw/zinc/81/14/60/663811460.db2.gz HYQBNZXAESFHKN-OAHLLOKOSA-N 1 0 378.318 2.987 20 0 GFADRO Cc1c(C[C@@H](C[NH3+])CN2CCOc3cc(Br)ccc3C2)cnn1C ZINC000903933801 663812515 /nfs/dbraw/zinc/81/25/15/663812515.db2.gz VQTVBZJXKFSEQR-AWEZNQCLSA-N 1 0 393.329 2.503 20 0 GFADRO COc1sc(CN[C@H]2C[NH2+]CC3(CCOCC3)C2)cc1Br ZINC000903975325 663814235 /nfs/dbraw/zinc/81/42/35/663814235.db2.gz ZVRWVDRJXQAJMM-LLVKDONJSA-N 1 0 375.332 2.768 20 0 GFADRO [NH3+][C@@H]1CN(Cc2cnc3ccc(Br)cn23)CC[C@@H]1C(F)(F)F ZINC000903983791 663815247 /nfs/dbraw/zinc/81/52/47/663815247.db2.gz LWBHFFNSAHLQDS-NWDGAFQWSA-N 1 0 377.208 2.808 20 0 GFADRO [NH3+]C[C@]12CC[C@@H]1CCN2C(=O)Nc1cc2c(cc1Br)OCCO2 ZINC000904279347 663829874 /nfs/dbraw/zinc/82/98/74/663829874.db2.gz TXJBVEIPJGWXSJ-QLJPJBMISA-N 1 0 382.258 2.565 20 0 GFADRO Cc1cc(I)ccc1NC(=O)N1CCC[C@@]12CC[NH2+]C2 ZINC000904274706 663829894 /nfs/dbraw/zinc/82/98/94/663829894.db2.gz QBCHVFMLTSABMM-HNNXBMFYSA-N 1 0 385.249 2.959 20 0 GFADRO Cn1cc(Br)cc(NC(=O)N2CCCC[C@H]2C2(C[NH3+])CCC2)c1=O ZINC000904367945 663831818 /nfs/dbraw/zinc/83/18/18/663831818.db2.gz KZFVQGZNXOPMER-AWEZNQCLSA-N 1 0 397.317 2.663 20 0 GFADRO COCCOc1ccc(Br)cc1NC(=O)N1CC[C@H]2CC[C@]21C[NH3+] ZINC000904411343 663833393 /nfs/dbraw/zinc/83/33/93/663833393.db2.gz UVYOPHDCHXWFQJ-PXAZEXFGSA-N 1 0 398.301 2.819 20 0 GFADRO Fc1cc2c(cc1Br)CN(Cc1cnnn1[C@@H]1CCC[NH2+]C1)CC2 ZINC000904434339 663834226 /nfs/dbraw/zinc/83/42/26/663834226.db2.gz VSNDFEYEAKHFKD-CQSZACIVSA-N 1 0 394.292 2.663 20 0 GFADRO COC[C@@H]1C[NH2+]CCN1C(=O)Nc1cc(C(F)(F)F)ccc1Br ZINC000904461085 663835342 /nfs/dbraw/zinc/83/53/42/663835342.db2.gz DOCJGHCYOALHEF-JTQLQIEISA-N 1 0 396.207 2.920 20 0 GFADRO COC(=O)c1cc(NC(=O)N[C@H]2C[NH2+]CC2(C)C)c(C)cc1Br ZINC000904482789 663835701 /nfs/dbraw/zinc/83/57/01/663835701.db2.gz FUUOVEQCZOVHQD-ZDUSSCGKSA-N 1 0 384.274 2.664 20 0 GFADRO C[NH2+]C[C@@H]1CCN(C(=O)Nc2ccc(OCCOC)c(Br)c2)C1 ZINC000904550940 663837899 /nfs/dbraw/zinc/83/78/99/663837899.db2.gz HZCUNLMPVHHXOQ-LBPRGKRZSA-N 1 0 386.290 2.548 20 0 GFADRO Brc1cccc(C2(c3noc([C@]45C[NH2+]C[C@H]4CCOC5)n3)CC2)c1 ZINC000904712830 663842066 /nfs/dbraw/zinc/84/20/66/663842066.db2.gz QHHUHJCYRMCGNV-ACJLOTCBSA-N 1 0 390.281 2.790 20 0 GFADRO Cc1csc([C@@](O)(CC(=O)N[C@H](C[NH3+])C2CCCCC2)C(F)(F)F)n1 ZINC000904926825 663847862 /nfs/dbraw/zinc/84/78/62/663847862.db2.gz XQGJQLUNJQOXLD-DOMZBBRYSA-N 1 0 379.448 2.615 20 0 GFADRO Cc1ccc(C[C@@H](C)[NH2+]C[C@@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)s1 ZINC000905139828 663854890 /nfs/dbraw/zinc/85/48/90/663854890.db2.gz YGCPMCKRZJMJBM-CZUORRHYSA-N 1 0 388.599 2.579 20 0 GFADRO CCS(=O)(=O)c1ccc(C[NH2+]C[C@@](C)(O)C(F)(F)C(F)(F)F)cc1 ZINC000905204160 663858309 /nfs/dbraw/zinc/85/83/09/663858309.db2.gz YEGHGCDGTWIBSQ-GFCCVEGCSA-N 1 0 375.359 2.518 20 0 GFADRO OCC1(C[C@H](O)C[NH2+][C@@H]2COc3cc(F)c(Br)cc32)CCCC1 ZINC000905247343 663862563 /nfs/dbraw/zinc/86/25/63/663862563.db2.gz OKSUFMYQVMRSMN-XHDPSFHLSA-N 1 0 388.277 2.915 20 0 GFADRO O=S(=O)(CCC[NH2+]C[C@@H](O)CC1(O)CCCCC1)c1ccc(Cl)cc1 ZINC000905274718 663863671 /nfs/dbraw/zinc/86/36/71/663863671.db2.gz QCJJVIAKWSFWEA-INIZCTEOSA-N 1 0 389.945 2.540 20 0 GFADRO CN(OCC(F)(F)F)C(=O)C[NH2+]C[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC000905387459 663868936 /nfs/dbraw/zinc/86/89/36/663868936.db2.gz UZHQRTKBHFXJFE-LLVKDONJSA-N 1 0 375.174 2.569 20 0 GFADRO O[C@@H](C[NH2+]Cc1cc2cc(Br)ccc2o1)CC1(O)CCOCC1 ZINC000905416316 663870612 /nfs/dbraw/zinc/87/06/12/663870612.db2.gz AOFGQTZXXQACBL-CQSZACIVSA-N 1 0 384.270 2.577 20 0 GFADRO O[C@@H](C[NH2+]C[C@H](O)C(F)(F)C(F)(F)F)c1ccc(Br)cc1 ZINC000905446767 663871704 /nfs/dbraw/zinc/87/17/04/663871704.db2.gz LTKZMVGXSGGSBH-UWVGGRQHSA-N 1 0 378.135 2.631 20 0 GFADRO O[C@@H](C[NH2+]C[C@@H]1CCN1C1CCOCC1)COc1cc(Cl)ccc1Cl ZINC000905621996 663882324 /nfs/dbraw/zinc/88/23/24/663882324.db2.gz FQAAZGCXGBXXHQ-HOTGVXAUSA-N 1 0 389.323 2.576 20 0 GFADRO Cn1nnc2c1C[C@@H]([NH2+]C[C@@](C)(O)c1ccc(Br)cc1Cl)CC2 ZINC000905631821 663882654 /nfs/dbraw/zinc/88/26/54/663882654.db2.gz BLPWFKBUDPNFTR-MEDUHNTESA-N 1 0 399.720 2.586 20 0 GFADRO CO[C@@]1(CNC(=S)NC2CC[NH+](Cc3ccccc3)CC2)CCSC1 ZINC000905646524 663883451 /nfs/dbraw/zinc/88/34/51/663883451.db2.gz GONPGZWCISJUPI-LJQANCHMSA-N 1 0 379.595 2.637 20 0 GFADRO C[C@@]1([C@H]2CCCN(Cn3ncc(Br)c3C3CC3)C2)COC(=O)N1 ZINC000905700656 663887626 /nfs/dbraw/zinc/88/76/26/663887626.db2.gz JDPPJKCTPROGTM-LRDDRELGSA-N 1 0 383.290 2.691 20 0 GFADRO CC[C@@](O)(C[NH2+]Cc1ccc(S(=O)(=O)N(C)C(C)C)cc1)C(F)(F)F ZINC000905920932 663901288 /nfs/dbraw/zinc/90/12/88/663901288.db2.gz UVZHJRFIBWQNAT-OAHLLOKOSA-N 1 0 382.448 2.509 20 0 GFADRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)c2cc(Br)cn(C3CC3)c2=O)C1 ZINC000906450756 663949083 /nfs/dbraw/zinc/94/90/83/663949083.db2.gz NFJUNHDVUGTBNF-ZDUSSCGKSA-N 1 0 396.329 2.796 20 0 GFADRO C[NH+](C)CCn1ccc(NC(=O)c2ccc(Cn3cc(Cl)cn3)s2)n1 ZINC000906464986 663950763 /nfs/dbraw/zinc/95/07/63/663950763.db2.gz MNOSBVSCAHKMKJ-UHFFFAOYSA-N 1 0 378.889 2.657 20 0 GFADRO Cc1cc(C(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)nn1-c1ccccc1Br ZINC000906626949 663961717 /nfs/dbraw/zinc/96/17/17/663961717.db2.gz IFKGDWSWIAZNEY-KGLIPLIRSA-N 1 0 389.297 2.625 20 0 GFADRO CC[NH+](CC)CCCCNC(=O)c1nscc1I ZINC000906674072 663964428 /nfs/dbraw/zinc/96/44/28/663964428.db2.gz QGOCJNOVOCGHIP-UHFFFAOYSA-N 1 0 381.283 2.600 20 0 GFADRO COC(=O)c1nc(C(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)cs1 ZINC000906794789 663971433 /nfs/dbraw/zinc/97/14/33/663971433.db2.gz ZYAWLRFOSXXDNB-FZMZJTMJSA-N 1 0 379.507 2.804 20 0 GFADRO CC[NH+](CC)[C@H]1CCN(C(=O)c2cc(Br)cn(C3CC3)c2=O)C1 ZINC000906848833 663976592 /nfs/dbraw/zinc/97/65/92/663976592.db2.gz QBKIZAIOTFPDGG-AWEZNQCLSA-N 1 0 382.302 2.502 20 0 GFADRO CC[NH+](CC)CCN(Cc1cccs1)C(=O)c1csc(C(=O)OC)n1 ZINC000906990382 663989682 /nfs/dbraw/zinc/98/96/82/663989682.db2.gz YLLOMEFJOWYJQY-UHFFFAOYSA-N 1 0 381.523 2.975 20 0 GFADRO Cc1ccc(C[N@H+]2CC[C@H](CN(C)S(=O)(=O)c3c[nH]nc3Cl)C2)s1 ZINC000907343305 664025379 /nfs/dbraw/zinc/02/53/79/664025379.db2.gz AVYYWYYASDZZRU-GFCCVEGCSA-N 1 0 388.946 2.576 20 0 GFADRO Cc1ccc(C[N@H+]2CC[C@H](CN(C)S(=O)(=O)c3cnccc3C)C2)s1 ZINC000907346887 664026408 /nfs/dbraw/zinc/02/64/08/664026408.db2.gz PDCRBVYMMVGURR-MRXNPFEDSA-N 1 0 379.551 2.903 20 0 GFADRO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)S(=O)(=O)CC[C@@H]3CCOC3)C2)s1 ZINC000907347500 664026734 /nfs/dbraw/zinc/02/67/34/664026734.db2.gz SAXXAFIADVAEKC-IRXDYDNUSA-N 1 0 386.583 2.567 20 0 GFADRO C[NH+]1CCC2(CCN2S(=O)(=O)/C=C/c2ccccc2Br)CC1 ZINC000907853297 664065709 /nfs/dbraw/zinc/06/57/09/664065709.db2.gz KBMRPHNZYXOISX-AWNIVKPZSA-N 1 0 385.327 2.920 20 0 GFADRO O=C(C[C@@H](O)C(Cl)(Cl)Cl)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000907862307 664067301 /nfs/dbraw/zinc/06/73/01/664067301.db2.gz PUYNGGBAOZMPHV-ZIAGYGMSSA-N 1 0 379.715 2.746 20 0 GFADRO O=C(C[C@H](O)C(Cl)(Cl)Cl)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000907862304 664067337 /nfs/dbraw/zinc/06/73/37/664067337.db2.gz PUYNGGBAOZMPHV-KBPBESRZSA-N 1 0 379.715 2.746 20 0 GFADRO Cc1cc(Br)c(CC(=O)N2C[C@@H](N3CCOCC3)C[C@@H]2C)s1 ZINC000908147559 664087866 /nfs/dbraw/zinc/08/78/66/664087866.db2.gz XZPMGFSPNXTSDU-AAEUAGOBSA-N 1 0 387.343 2.683 20 0 GFADRO C/C=C/[C@@H](O)C(=O)N(Cc1ccccc1Br)C1CC[NH+](C)CC1 ZINC000908262207 664095950 /nfs/dbraw/zinc/09/59/50/664095950.db2.gz SSEDJIGFAMGRPA-ZNNBYXKUSA-N 1 0 381.314 2.809 20 0 GFADRO Cn1cnc(-c2ccc(Br)cc2)c1NC(=O)C12CC[NH+](CC1)C2 ZINC000908427446 664105573 /nfs/dbraw/zinc/10/55/73/664105573.db2.gz PHYBUNMWCBCTJX-UHFFFAOYSA-N 1 0 375.270 2.884 20 0 GFADRO C[NH+]1CCC2(CCC(NC(=O)c3cc(N)nc(Br)c3)CC2)CC1 ZINC000908489653 664110291 /nfs/dbraw/zinc/11/02/91/664110291.db2.gz ICBUAKBSCQFPGG-UHFFFAOYSA-N 1 0 381.318 2.811 20 0 GFADRO C[C@H]1CN(C(=O)c2cccn3ncc(Br)c23)CC[N@@H+](C2CC2)C1 ZINC000908503793 664111156 /nfs/dbraw/zinc/11/11/56/664111156.db2.gz OQDVAGCZSBEFTC-GFCCVEGCSA-N 1 0 377.286 2.653 20 0 GFADRO C[N@@H+]1CCN(C(=O)c2nccn3c(Br)cnc23)CC12CCCCC2 ZINC000908573617 664115098 /nfs/dbraw/zinc/11/50/98/664115098.db2.gz RUSZNHWOBKOULA-UHFFFAOYSA-N 1 0 392.301 2.582 20 0 GFADRO CC[N@@H+]1CCCN(C(=O)c2ccc(Br)cc2-n2cncn2)[C@@H](C)C1 ZINC000910279851 664204416 /nfs/dbraw/zinc/20/44/16/664204416.db2.gz DDPWMLPCOKBAMY-ZDUSSCGKSA-N 1 0 392.301 2.586 20 0 GFADRO O=C(C[NH+]1CCCC1)N1CCc2[nH]cnc2[C@H]1c1ccc(Br)cc1 ZINC000911253176 664240702 /nfs/dbraw/zinc/24/07/02/664240702.db2.gz QSTJJJLABRRVJL-GOSISDBHSA-N 1 0 389.297 2.742 20 0 GFADRO Brc1nnc(-c2ccc(N3CC[NH+](C[C@@H]4CCCO4)CC3)cc2)o1 ZINC000911637255 664251216 /nfs/dbraw/zinc/25/12/16/664251216.db2.gz SGSUWGWMPFSZNJ-HNNXBMFYSA-N 1 0 393.285 2.800 20 0 GFADRO C[NH2+][C@H]1CCCN(C(=O)c2cnn(Cc3ccccc3)c2Br)C1 ZINC000911734481 664254785 /nfs/dbraw/zinc/25/47/85/664254785.db2.gz CFBTULYHIVRYBN-AWEZNQCLSA-N 1 0 377.286 2.518 20 0 GFADRO CC(C)c1ncc(Br)c(C(=O)NCc2ccc(CC[NH3+])cc2)n1 ZINC000911733726 664254814 /nfs/dbraw/zinc/25/48/14/664254814.db2.gz BQCYBLUJXZFECN-UHFFFAOYSA-N 1 0 377.286 2.794 20 0 GFADRO O=C(NCC[C@H]1CC[NH2+]C1)c1c(Cl)ccc(I)c1F ZINC000911766069 664256096 /nfs/dbraw/zinc/25/60/96/664256096.db2.gz FNKDOSSVQUGSGK-MRVPVSSYSA-N 1 0 396.631 2.813 20 0 GFADRO [NH3+]CCCSCCC(=O)Nc1nc(-c2ccc3c(c2)OCCO3)cs1 ZINC000911969993 664264174 /nfs/dbraw/zinc/26/41/74/664264174.db2.gz CSLQYUPNMZPAIM-UHFFFAOYSA-N 1 0 379.507 2.992 20 0 GFADRO CS[C@@H]1CN(c2ccc(-c3nnc(Br)o3)cc2)C[C@H]1[NH+](C)C ZINC000912008439 664265886 /nfs/dbraw/zinc/26/58/86/664265886.db2.gz WRPVYFXVVMPCPA-CHWSQXEVSA-N 1 0 383.315 2.981 20 0 GFADRO [NH3+]CCn1cc(Br)cc(C(=O)N[C@@H](c2cccs2)C2CC2)c1=O ZINC000912169850 664273304 /nfs/dbraw/zinc/27/33/04/664273304.db2.gz BJCGWAYBFZBAFN-CQSZACIVSA-N 1 0 396.310 2.512 20 0 GFADRO O=C(Nc1c[nH]nc1Br)c1ccc(C[NH+]2CCC(CO)CC2)cc1 ZINC000912194581 664275588 /nfs/dbraw/zinc/27/55/88/664275588.db2.gz ZJQZUCCBQZYGGN-UHFFFAOYSA-N 1 0 393.285 2.629 20 0 GFADRO O=C(NCCc1ccc(Br)cc1)[C@@H]1CC[NH2+][C@H]([C@H]2CCCO2)C1 ZINC000912285267 664279894 /nfs/dbraw/zinc/27/98/94/664279894.db2.gz PLRCSZKKAYZICG-HYVNUMGLSA-N 1 0 381.314 2.655 20 0 GFADRO CCCOc1cccc(NC(=O)c2cc(Br)cn(CC[NH3+])c2=O)c1 ZINC000912330428 664282105 /nfs/dbraw/zinc/28/21/05/664282105.db2.gz AZCMKXIIDKLLGQ-UHFFFAOYSA-N 1 0 394.269 2.611 20 0 GFADRO CC(C)C[NH2+]C1(CO)CCN(C(=O)c2ccc(F)c(Br)c2)CC1 ZINC000912588550 664294186 /nfs/dbraw/zinc/29/41/86/664294186.db2.gz NTWFUWIUIXDYKC-UHFFFAOYSA-N 1 0 387.293 2.801 20 0 GFADRO C[NH+](C)CCCOC(=O)c1ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c1 ZINC000912592497 664294402 /nfs/dbraw/zinc/29/44/02/664294402.db2.gz NDASYYWXMLHMFV-UHFFFAOYSA-N 1 0 376.906 2.525 20 0 GFADRO O=C(c1ccc2cncc(Br)c2n1)N1CCC([NH+]2CCC2)CC1 ZINC000912884861 664307271 /nfs/dbraw/zinc/30/72/71/664307271.db2.gz GAOJHFSGSDQFRG-UHFFFAOYSA-N 1 0 375.270 2.703 20 0 GFADRO COc1nsc(CNC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)c1Br ZINC000912946066 664312573 /nfs/dbraw/zinc/31/25/73/664312573.db2.gz KGXXGMNCNKKFHS-CQSZACIVSA-N 1 0 394.310 2.743 20 0 GFADRO C[N@@H+]1CCCC[C@H](CNC(=O)C(F)(F)c2ncccc2Br)C1 ZINC000913007094 664316387 /nfs/dbraw/zinc/31/63/87/664316387.db2.gz RZUVRFYGIOTASI-LLVKDONJSA-N 1 0 376.245 2.784 20 0 GFADRO C[NH+]1C[C@]2(C)CN(C(=O)c3nc(Br)sc3Cl)C[C@@]2(C)C1 ZINC000913274393 664330712 /nfs/dbraw/zinc/33/07/12/664330712.db2.gz LQJZXBJDCJLVRB-CHWSQXEVSA-N 1 0 378.723 2.973 20 0 GFADRO Cc1csc([C@](O)(CC(=O)N2CCC(C)([NH+](C)C)CC2)C(F)(F)F)n1 ZINC000913398160 664334971 /nfs/dbraw/zinc/33/49/71/664334971.db2.gz GGUOOFDVKLGJBT-OAHLLOKOSA-N 1 0 379.448 2.534 20 0 GFADRO CN1C[C@H]2CC[C@@H](C1)N2C(=O)CCC[S@](=O)c1ccc(Br)cc1 ZINC000913538224 664342936 /nfs/dbraw/zinc/34/29/36/664342936.db2.gz WYRHQFQLWIUUMN-AQKDONEWSA-N 1 0 399.354 2.642 20 0 GFADRO CC(C)Oc1cc(NC(=O)C2CN(C)CC[N@H+](C)C2)ccc1Br ZINC000913657295 664347911 /nfs/dbraw/zinc/34/79/11/664347911.db2.gz RZSUJBFALPOPMF-UHFFFAOYSA-N 1 0 384.318 2.668 20 0 GFADRO C[NH+](C)CC1(O)CCN(C(=O)c2ccc(Br)c(Cl)c2F)CC1 ZINC000913678259 664349245 /nfs/dbraw/zinc/34/92/45/664349245.db2.gz YYXBFCWRZQCXNY-UHFFFAOYSA-N 1 0 393.684 2.770 20 0 GFADRO CC(C)Oc1cc(Br)cc(C(=O)N2CCC(O)(C[NH+](C)C)CC2)c1 ZINC000913679749 664349314 /nfs/dbraw/zinc/34/93/14/664349314.db2.gz OUHCMZJEZBBSNA-UHFFFAOYSA-N 1 0 399.329 2.765 20 0 GFADRO C[NH+](C)CC1(O)CCN(C(=O)CCOc2ccc(Cl)c(Cl)c2)CC1 ZINC000913681424 664349605 /nfs/dbraw/zinc/34/96/05/664349605.db2.gz HHHQEUSLBGAOKR-UHFFFAOYSA-N 1 0 375.296 2.677 20 0 GFADRO CCC[NH+]1CCC(NS(=O)(=O)Cc2ccc(F)cc2Br)CC1 ZINC000913863198 664362098 /nfs/dbraw/zinc/36/20/98/664362098.db2.gz RQTZUIMELCRGIX-UHFFFAOYSA-N 1 0 393.322 2.882 20 0 GFADRO C[C@@H](Cn1ccnc1)NS(=O)(=O)Cc1cccc(Cl)c1Br ZINC000913927241 664366103 /nfs/dbraw/zinc/36/61/03/664366103.db2.gz YONJJUPBONSUNQ-JTQLQIEISA-N 1 0 392.706 2.807 20 0 GFADRO CN([C@H]1CC[N@@H+](C2CC2)C1)S(=O)(=O)Cc1ccsc1Br ZINC000914094771 664376275 /nfs/dbraw/zinc/37/62/75/664376275.db2.gz NCIHKEDYLDIQSH-LBPRGKRZSA-N 1 0 379.345 2.509 20 0 GFADRO O=C(C[C@H]1CCCN1S(=O)(=O)C[C@@]12CC[N@H+](C1)CCC2)c1cccs1 ZINC000914338363 664400858 /nfs/dbraw/zinc/40/08/58/664400858.db2.gz XAGWSJXWHILEAA-QAPCUYQASA-N 1 0 382.551 2.601 20 0 GFADRO CS[C@@H]1CN(S(=O)(=O)c2cscc2C(F)F)C[C@@H]1[NH+]1CCCC1 ZINC000914391078 664405826 /nfs/dbraw/zinc/40/58/26/664405826.db2.gz QFWOVLRDKBAHIJ-NWDGAFQWSA-N 1 0 382.523 2.886 20 0 GFADRO CCC[NH+]1CCC(NC(=O)c2ccc(S(=O)(=O)C(F)(F)F)cc2)CC1 ZINC000914603823 664412631 /nfs/dbraw/zinc/41/26/31/664412631.db2.gz XAOXGHWYPLLKOQ-UHFFFAOYSA-N 1 0 378.416 2.584 20 0 GFADRO CN(C)C(=O)c1cccc(C[NH2+]C[C@H](O)c2cccc(Br)c2)c1 ZINC000914794893 664415867 /nfs/dbraw/zinc/41/58/67/664415867.db2.gz DRNZZQUJDWCGKB-KRWDZBQOSA-N 1 0 377.282 2.974 20 0 GFADRO O=C(NCCC[NH+]1CCCCC1)c1ccccc1S(=O)(=O)C(F)(F)F ZINC000915139859 664421749 /nfs/dbraw/zinc/42/17/49/664421749.db2.gz QYTLBABNEAZIJR-UHFFFAOYSA-N 1 0 378.416 2.586 20 0 GFADRO COC(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@H](C)[N@@H+]2CCCC[C@H]2C)c1 ZINC000915291351 664426971 /nfs/dbraw/zinc/42/69/71/664426971.db2.gz JSIBESQYNUZPAG-OLZOCXBDSA-N 1 0 388.917 2.668 20 0 GFADRO O=S(=O)(/C=C/c1ccc(Cl)cc1)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000915354549 664428950 /nfs/dbraw/zinc/42/89/50/664428950.db2.gz IJDYQBDWSHHFCQ-QKAYDNCFSA-N 1 0 384.929 2.827 20 0 GFADRO C[N@@H+]1CCC[C@H]2[C@H]1CCN2S(=O)(=O)Cc1ccsc1Br ZINC000919286634 664510768 /nfs/dbraw/zinc/51/07/68/664510768.db2.gz FUUOACYRFPAUIU-NEPJUHHUSA-N 1 0 379.345 2.509 20 0 GFADRO O=C(Nc1ccc(Br)cn1)C1CCN(CC[NH+]2CCCC2)CC1 ZINC000919880672 664519165 /nfs/dbraw/zinc/51/91/65/664519165.db2.gz LUWBAXNGLGGLTF-UHFFFAOYSA-N 1 0 381.318 2.590 20 0 GFADRO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NS(=O)(=O)c3sccc3Cl)C2)[C@@H]1C(C)C ZINC000920303999 664524922 /nfs/dbraw/zinc/52/49/22/664524922.db2.gz VVXFSQCTTJRBHX-NYTXWWLZSA-N 1 0 392.974 2.550 20 0 GFADRO C[C@H]1CCC[C@@](CNC(=O)c2ccc(Cl)c(S(C)(=O)=O)c2)([NH+](C)C)C1 ZINC000920742553 664530077 /nfs/dbraw/zinc/53/00/77/664530077.db2.gz VMOBZNTWLKYBOU-SCLBCKFNSA-N 1 0 386.945 2.984 20 0 GFADRO COC[C@@H](C)NC(=S)N(CC[NH+](C)C)Cc1ccc(C(F)(F)F)cc1 ZINC000920753525 664530318 /nfs/dbraw/zinc/53/03/18/664530318.db2.gz FYEHFTDFAVYQJG-CYBMUJFWSA-N 1 0 377.476 2.978 20 0 GFADRO CCO[C@@H](CNC(=O)N[C@H](CC)c1nc(C(F)(F)F)cs1)C[NH+](C)C ZINC000921093988 664537187 /nfs/dbraw/zinc/53/71/87/664537187.db2.gz VPLHFLGQIHWBLF-WDEREUQCSA-N 1 0 382.452 2.879 20 0 GFADRO C[NH+](C)Cc1ccc(S(=O)(=O)N2CCC[C@H](Cc3nccs3)C2)cc1 ZINC000921374051 664544914 /nfs/dbraw/zinc/54/49/14/664544914.db2.gz YNANXFBDXCAVRO-MRXNPFEDSA-N 1 0 379.551 2.848 20 0 GFADRO C[NH+](C)CC[C@H](NS(=O)(=O)c1cc(Cl)cnc1Cl)c1cccnc1 ZINC000921480042 664550096 /nfs/dbraw/zinc/55/00/96/664550096.db2.gz YHERCVOMAHSHGZ-ZDUSSCGKSA-N 1 0 389.308 2.755 20 0 GFADRO Brc1cccc(C2([NH2+]Cc3cnc4n3CCOC4)CCOCC2)c1 ZINC000921710598 664562917 /nfs/dbraw/zinc/56/29/17/664562917.db2.gz JIDGSIAJCYVALT-UHFFFAOYSA-N 1 0 392.297 2.971 20 0 GFADRO C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)NCc1cnc(Br)cn1 ZINC000921820084 664570769 /nfs/dbraw/zinc/57/07/69/664570769.db2.gz ROGRVYYBINUMGF-ZDUSSCGKSA-N 1 0 392.301 2.559 20 0 GFADRO O=S1(=O)CCC(C[NH2+]Cc2cc3c(cc(F)cc3Br)[nH]2)CC1 ZINC000921938539 664577417 /nfs/dbraw/zinc/57/74/17/664577417.db2.gz MJOMMFHFNCSJPV-UHFFFAOYSA-N 1 0 389.290 2.984 20 0 GFADRO Cn1nc2c(c1C[NH2+][C@@H]1CCN(c3cccc(Br)c3)C1)COCC2 ZINC000922065906 664583637 /nfs/dbraw/zinc/58/36/37/664583637.db2.gz FWDIFXDMEXEOOG-CQSZACIVSA-N 1 0 391.313 2.624 20 0 GFADRO O=S1(=O)CCC[C@H](C[NH2+]Cc2cc3c(cc(F)cc3Br)[nH]2)C1 ZINC000922130236 664587057 /nfs/dbraw/zinc/58/70/57/664587057.db2.gz YRLVFRQLAZGEQN-SNVBAGLBSA-N 1 0 389.290 2.984 20 0 GFADRO Cn1nc2c(c1C[NH2+][C@@H]1CCc3cc(Br)ccc3NC1=O)CCC2 ZINC000922335640 664595359 /nfs/dbraw/zinc/59/53/59/664595359.db2.gz MMLKEUYSRSYGMS-MRXNPFEDSA-N 1 0 389.297 2.714 20 0 GFADRO Cc1nn(-c2ccccc2Br)cc1C[NH2+]C1CC(CC(N)=O)C1 ZINC000922515873 664605391 /nfs/dbraw/zinc/60/53/91/664605391.db2.gz MGEPOJBYUMQVOQ-UHFFFAOYSA-N 1 0 377.286 2.687 20 0 GFADRO C[C@H](NC(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12)[C@H]1OCCc2sccc21 ZINC000922597945 664608057 /nfs/dbraw/zinc/60/80/57/664608057.db2.gz UGAFHPLMMXMKNK-PWXKEOIMSA-N 1 0 381.567 2.629 20 0 GFADRO Cc1nn(-c2cccc(Br)c2)cc1C[NH2+]C[C@H]1C[C@@H]2COC[C@@H]2O1 ZINC000922725693 664612233 /nfs/dbraw/zinc/61/22/33/664612233.db2.gz LQDXFPXRRAARIP-XWIAVFTESA-N 1 0 392.297 2.837 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH2+]CC[C@H]1CNC(=O)C1 ZINC000922783075 664614406 /nfs/dbraw/zinc/61/44/06/664614406.db2.gz ZBOAMCTWZMWAJO-CQSZACIVSA-N 1 0 391.313 2.867 20 0 GFADRO Cc1cc(Br)cc(C[NH2+]CC[C@@H]2CNC(=O)C2)c1OC(F)F ZINC000922783842 664614494 /nfs/dbraw/zinc/61/44/94/664614494.db2.gz VGQJVBCYDWOJIK-JTQLQIEISA-N 1 0 377.229 2.975 20 0 GFADRO COCCOc1ccc(C[NH2+]CC2(n3cc(Br)cn3)CC2)cc1 ZINC000922803020 664614851 /nfs/dbraw/zinc/61/48/51/664614851.db2.gz SKQCURYDWBFZOH-UHFFFAOYSA-N 1 0 380.286 2.950 20 0 GFADRO Cn1cc(C[NH2+]CC2(n3cc(Br)cn3)CC2)c(-c2cccnc2)n1 ZINC000922803071 664614861 /nfs/dbraw/zinc/61/48/61/664614861.db2.gz TWIJOZAZHIXENP-UHFFFAOYSA-N 1 0 387.285 2.720 20 0 GFADRO Cc1nn2c(C[NH2+]CC3(n4cc(Br)cn4)CC3)c(C)nc2s1 ZINC000922801887 664614866 /nfs/dbraw/zinc/61/48/66/664614866.db2.gz DNFLWRXALSBZBY-UHFFFAOYSA-N 1 0 381.303 2.646 20 0 GFADRO O=C(Cc1ccc(Br)cc1)N1CCC([NH2+]C2CCOCC2)CC1 ZINC000922848976 664616242 /nfs/dbraw/zinc/61/62/42/664616242.db2.gz COMRGTWSIKMOPM-UHFFFAOYSA-N 1 0 381.314 2.751 20 0 GFADRO C[N@@H+]1CCC[C@H](CCNC(=O)N2CCC[C@H]2c2ncc(Br)cn2)C1 ZINC000922854420 664616726 /nfs/dbraw/zinc/61/67/26/664616726.db2.gz XYBROLIYVKKTBY-HIFRSBDPSA-N 1 0 396.333 2.818 20 0 GFADRO Cn1nnc2c1C[C@@H]([NH2+]Cc1cc3c(cc(F)cc3Br)[nH]1)CC2 ZINC000922992492 664620590 /nfs/dbraw/zinc/62/05/90/664620590.db2.gz QDXAJDZRYKATPU-JTQLQIEISA-N 1 0 378.249 2.845 20 0 GFADRO O[C@@H]1C[C@H]([NH2+]Cc2cc(Br)c3c(c2)OCCCO3)C12CCOCC2 ZINC000923021820 664621304 /nfs/dbraw/zinc/62/13/04/664621304.db2.gz UMBBQECUCQANAR-JKSUJKDBSA-N 1 0 398.297 2.630 20 0 GFADRO O[C@H]1C[C@@H]([NH2+]Cc2cn(-c3ccc(Cl)c(Cl)c3)nn2)C12CCOCC2 ZINC000923022343 664621317 /nfs/dbraw/zinc/62/13/17/664621317.db2.gz VSACGQKMYIGRLU-CVEARBPZSA-N 1 0 383.279 2.594 20 0 GFADRO O[C@@H]1C[C@H]([NH2+]Cc2cnn(-c3ccc(Br)cc3)c2)C12CCOCC2 ZINC000923024286 664621451 /nfs/dbraw/zinc/62/14/51/664621451.db2.gz OZSHIIWDUNHMFC-DLBZAZTESA-N 1 0 392.297 2.654 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)NC1(c2ncc(Br)cn2)CCC1 ZINC000923167450 664623461 /nfs/dbraw/zinc/62/34/61/664623461.db2.gz CXTWTWASWBLLDB-CYBMUJFWSA-N 1 0 396.333 2.790 20 0 GFADRO C[NH2+]C1CCN(C[C@@H](O)COc2ccc(Cl)cc2Br)CC1 ZINC000923286069 664627451 /nfs/dbraw/zinc/62/74/51/664627451.db2.gz GVNHTEUUXUFUKT-CYBMUJFWSA-N 1 0 377.710 2.526 20 0 GFADRO CN(Cc1ncc(Br)cn1)C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000923294479 664627771 /nfs/dbraw/zinc/62/77/71/664627771.db2.gz MGDHQYBGCQVZLK-CQSZACIVSA-N 1 0 396.333 2.788 20 0 GFADRO [NH3+]C[C@@H]1CN(C[C@H](O)c2cccc(Br)c2)CC[C@H]1C(F)(F)F ZINC000923400743 664629896 /nfs/dbraw/zinc/62/98/96/664629896.db2.gz DRJTXBRDGIUTIU-BNOWGMLFSA-N 1 0 381.236 2.942 20 0 GFADRO Cc1nc(-c2cc3c(s2)CCN(S(=O)(=O)[C@H]2CCC[NH2+]C2)C3)cs1 ZINC000923633295 664634975 /nfs/dbraw/zinc/63/49/75/664634975.db2.gz STUWOODSIPXNSZ-ZDUSSCGKSA-N 1 0 383.564 2.620 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2S(=O)(=O)c2cscc2C(F)F)C1 ZINC000923651947 664635151 /nfs/dbraw/zinc/63/51/51/664635151.db2.gz JHZSUMBBZBVZOP-RTXFEEFZSA-N 1 0 380.482 2.735 20 0 GFADRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2cscc2C(F)F)CC[C@@H]1C(F)(F)F ZINC000923660968 664635270 /nfs/dbraw/zinc/63/52/70/664635270.db2.gz HCPZXGQEUAEBMF-APPZFPTMSA-N 1 0 378.388 2.834 20 0 GFADRO O=S(=O)(Cc1cccc(F)c1Br)NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC000923679956 664635606 /nfs/dbraw/zinc/63/56/06/664635606.db2.gz OQWPPRRDRQMCGC-UKRRQHHQSA-N 1 0 391.306 2.540 20 0 GFADRO [NH3+]C[C@@H]1CC2(CO1)CCN(S(=O)(=O)c1ccc(Cl)cc1Cl)CC2 ZINC000923686806 664635730 /nfs/dbraw/zinc/63/57/30/664635730.db2.gz GQIIJBFYPAHNDN-LBPRGKRZSA-N 1 0 379.309 2.512 20 0 GFADRO [NH3+]C[C@H]1CC2(CO1)CCN(S(=O)(=O)c1c(Cl)cc(F)cc1Cl)CC2 ZINC000923689021 664635811 /nfs/dbraw/zinc/63/58/11/664635811.db2.gz XYPOAYXNPDRCNT-LLVKDONJSA-N 1 0 397.299 2.651 20 0 GFADRO [NH3+]C[C@@H]1CC2(CO1)CCN(S(=O)(=O)Cc1c(Cl)cccc1Cl)CC2 ZINC000923687380 664635836 /nfs/dbraw/zinc/63/58/36/664635836.db2.gz WMLIMIMNAAYFAS-LBPRGKRZSA-N 1 0 393.336 2.653 20 0 GFADRO C[C@@H](OC(=O)COC1CC[NH+](C)CC1)C(=O)Nc1cc(Cl)ccc1Cl ZINC000923795504 664638133 /nfs/dbraw/zinc/63/81/33/664638133.db2.gz OSAXEHPRAORPRL-LLVKDONJSA-N 1 0 389.279 2.974 20 0 GFADRO Brc1cnc(C2CC2)nc1-c1nc([C@@H]2C[N@@H+]3CCC[C@H]3CO2)no1 ZINC000923959339 664641765 /nfs/dbraw/zinc/64/17/65/664641765.db2.gz IGUATLRZLYDJAD-JQWIXIFHSA-N 1 0 392.257 2.702 20 0 GFADRO Cn1cc(CNC(=O)N2CCC(C)([NH+]3CCCCC3)CC2)c(Br)n1 ZINC000924566359 664658334 /nfs/dbraw/zinc/65/83/34/664658334.db2.gz XANSLKBCUSDRMV-UHFFFAOYSA-N 1 0 398.349 2.733 20 0 GFADRO CC(=O)N1CCN(CC[NH2+][C@H](C)c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000924666207 664659366 /nfs/dbraw/zinc/65/93/66/664659366.db2.gz UMNJEWITACWWRX-LLVKDONJSA-N 1 0 378.826 2.569 20 0 GFADRO COc1cccc(C(=O)NCC[NH2+][C@H](C)c2cccc(Br)n2)c1 ZINC000924837470 664662635 /nfs/dbraw/zinc/66/26/35/664662635.db2.gz WJTQXQKCKNIVFD-GFCCVEGCSA-N 1 0 378.270 2.933 20 0 GFADRO C[NH+](C)Cc1ccc(NC(=O)[C@H]2CCCS(=O)(=O)C2)cc1C(F)(F)F ZINC000924891385 664663820 /nfs/dbraw/zinc/66/38/20/664663820.db2.gz ZTULAXMYNDCKER-LBPRGKRZSA-N 1 0 378.416 2.530 20 0 GFADRO C[C@H]([NH2+]C[C@H](O)c1cc(Cl)cc(Cl)c1)C1CCN(S(C)(=O)=O)CC1 ZINC000925093090 664666824 /nfs/dbraw/zinc/66/68/24/664666824.db2.gz KWKBDIJQVDXQNE-ZBEGNZNMSA-N 1 0 395.352 2.677 20 0 GFADRO C[C@H]([NH2+]C[C@@H](O)c1cc(Cl)cc(Cl)c1)C1CCN(S(C)(=O)=O)CC1 ZINC000925093088 664666831 /nfs/dbraw/zinc/66/68/31/664666831.db2.gz KWKBDIJQVDXQNE-MEDUHNTESA-N 1 0 395.352 2.677 20 0 GFADRO C[C@@H]([NH2+]C[C@@H](O)c1cc(Cl)cc(Cl)c1)C1CCN(S(C)(=O)=O)CC1 ZINC000925093085 664666843 /nfs/dbraw/zinc/66/68/43/664666843.db2.gz KWKBDIJQVDXQNE-BDJLRTHQSA-N 1 0 395.352 2.677 20 0 GFADRO O=C(N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12)N1CCC[C@H](Cc2nccs2)C1 ZINC000925173786 664668006 /nfs/dbraw/zinc/66/80/06/664668006.db2.gz ZDKZUGGOMKZCLL-OAGGEKHMSA-N 1 0 380.583 2.687 20 0 GFADRO C[C@H]([NH2+]CCNS(=O)(=O)Cc1ccon1)c1csc(C(F)(F)F)c1 ZINC000925224415 664669063 /nfs/dbraw/zinc/66/90/63/664669063.db2.gz LICRPOAEGAMDJH-VIFPVBQESA-N 1 0 383.417 2.525 20 0 GFADRO C[N@@H+]1CCC[C@H](CCN2C(=O)CN(Cc3cccc(Br)c3)C2=O)C1 ZINC000925320705 664670455 /nfs/dbraw/zinc/67/04/55/664670455.db2.gz GHYBPRLJAXIPOZ-CQSZACIVSA-N 1 0 394.313 2.945 20 0 GFADRO C[C@@H]1[C@H](NC(=O)N[C@H](CO)c2ccc(Cl)cc2C(F)(F)F)CC[N@@H+]1C ZINC000925339759 664670673 /nfs/dbraw/zinc/67/06/73/664670673.db2.gz SDNQDZUBUZAIOV-OWYVNGRQSA-N 1 0 379.810 2.784 20 0 GFADRO C[C@H]([NH2+]CC1CCN(S(=O)(=O)C(F)F)CC1)c1cnn(C2CCC2)c1 ZINC000925395953 664671967 /nfs/dbraw/zinc/67/19/67/664671967.db2.gz JMYQRQCTTRYBFC-LBPRGKRZSA-N 1 0 376.473 2.523 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CC[NH2+][C@H](C)C[C@@H]1CCC(=O)N1 ZINC000925405646 664672069 /nfs/dbraw/zinc/67/20/69/664672069.db2.gz PTTGWGFRTWRVBD-OCCSQVGLSA-N 1 0 382.302 2.733 20 0 GFADRO CS(=O)(=O)c1ccc(CN[C@@H]2CC[NH2+]C23CCCC3)cc1C(F)(F)F ZINC000925661255 664673872 /nfs/dbraw/zinc/67/38/72/664673872.db2.gz VYOXORCKPFOOBN-OAHLLOKOSA-N 1 0 376.444 2.873 20 0 GFADRO CCc1nnc2n1C[C@@H]([NH2+][C@H]1CCCc3ncc(Br)cc31)CC2 ZINC000925783189 664674527 /nfs/dbraw/zinc/67/45/27/664674527.db2.gz MWFJQWZHUCMURH-WFASDCNBSA-N 1 0 376.302 2.980 20 0 GFADRO CC[C@@H](NC[C@]12CCC[C@H]1[NH2+]CC2)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000925841820 664675751 /nfs/dbraw/zinc/67/57/51/664675751.db2.gz UBRAIBUQWILZRN-KBAYOESNSA-N 1 0 385.961 2.821 20 0 GFADRO O=C(Nc1ccc(F)cc1Br)N[C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000925953559 664678071 /nfs/dbraw/zinc/67/80/71/664678071.db2.gz QEOLNRMIAPHDPV-GFCCVEGCSA-N 1 0 386.265 2.868 20 0 GFADRO COc1cc(NC(=O)N2CC[C@@H](C[NH3+])[C@@H](C)C2)cc(OC)c1Br ZINC000926084915 664681253 /nfs/dbraw/zinc/68/12/53/664681253.db2.gz ONSBSAQZKJVQGL-QWRGUYRKSA-N 1 0 386.290 2.915 20 0 GFADRO Cc1c(Br)nccc1NC(=O)N1CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000926128129 664682378 /nfs/dbraw/zinc/68/23/78/664682378.db2.gz XSJZJRPDPWBYAL-BDAKNGLRSA-N 1 0 381.196 2.896 20 0 GFADRO CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NC(=O)c1ccsc1Br)C2 ZINC000926148553 664682941 /nfs/dbraw/zinc/68/29/41/664682941.db2.gz SIGDLAVATWVSNK-BRXULGCHSA-N 1 0 387.343 2.720 20 0 GFADRO CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NC(=O)c1ccc(Cl)c(N)c1Cl)C2 ZINC000926152488 664683274 /nfs/dbraw/zinc/68/32/74/664683274.db2.gz BHJFRRQJKGSHID-ZHCAMHROSA-N 1 0 386.323 2.785 20 0 GFADRO Cc1cccc(C(=O)N[C@@H]2C[C@@]3(C[N@@H+](C)[C@H]3C(C)C)C[C@H]2O)c1Br ZINC000926164109 664683424 /nfs/dbraw/zinc/68/34/24/664683424.db2.gz KTTSYCKWOLEYTD-RRIFGTCXSA-N 1 0 395.341 2.967 20 0 GFADRO [NH3+]C[C@@H](NC(=O)N1CCC[C@@H]1c1cncc(Br)c1)C(F)(F)F ZINC000926169975 664683598 /nfs/dbraw/zinc/68/35/98/664683598.db2.gz QKDAHFFZSLIRCM-GHMZBOCLSA-N 1 0 381.196 2.580 20 0 GFADRO CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NC(=O)c1ccc(F)c(Br)c1)C2 ZINC000926169368 664683606 /nfs/dbraw/zinc/68/36/06/664683606.db2.gz DAXVXZXAIIORCS-YFHUEUNASA-N 1 0 399.304 2.798 20 0 GFADRO O=S(=O)(NCCC[NH2+][C@@H](C1CCC1)[C@H]1CCOC1)c1ccccc1Cl ZINC000926353332 664688348 /nfs/dbraw/zinc/68/83/48/664688348.db2.gz KOEXKXGUTNSWST-YJBOKZPZSA-N 1 0 386.945 2.803 20 0 GFADRO C[C@@H]([NH2+]Cc1ccc(I)c(Cl)c1)c1cnnn1C ZINC000926366522 664688788 /nfs/dbraw/zinc/68/87/88/664688788.db2.gz LLABLRVYSGKNFT-MRVPVSSYSA-N 1 0 376.629 2.924 20 0 GFADRO COc1cc([C@@H](C)[NH2+]C[C@H](CO)Cc2ccc(OC)c(Br)c2)on1 ZINC000926536831 664691782 /nfs/dbraw/zinc/69/17/82/664691782.db2.gz CKAWEVMSUPEJRV-DGCLKSJQSA-N 1 0 399.285 2.956 20 0 GFADRO Cc1c(Br)cccc1C[C@H](CO)C[NH2+][C@H](C)C[C@H]1CCC(=O)N1 ZINC000926545180 664692334 /nfs/dbraw/zinc/69/23/34/664692334.db2.gz UYRNATRBWFEDPJ-IVMMDQJWSA-N 1 0 383.330 2.555 20 0 GFADRO CN1CC[C@H]([NH2+]C[C@H](O)[C@H]2CCCO2)C[C@@H]1c1ccc(Br)cc1 ZINC000926748983 664696183 /nfs/dbraw/zinc/69/61/83/664696183.db2.gz JIFOSHZVQOLRTK-XWTMOSNGSA-N 1 0 383.330 2.714 20 0 GFADRO CCC(F)(F)C(C)(C)C[NH2+][C@@H](C)c1ccc(S(=O)(=O)CC(N)=O)cc1 ZINC000926760711 664696326 /nfs/dbraw/zinc/69/63/26/664696326.db2.gz WZWQFOYXHQPGDT-LBPRGKRZSA-N 1 0 376.469 2.668 20 0 GFADRO COCCc1nc(C)c([C@@H](C)[NH2+]CCc2ccccc2S(C)(=O)=O)s1 ZINC000926909273 664698901 /nfs/dbraw/zinc/69/89/01/664698901.db2.gz YHKAGQFUFYURSS-CYBMUJFWSA-N 1 0 382.551 2.937 20 0 GFADRO CS(=O)(=O)C[C@H](O)C[NH2+][C@@H]1CCCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000927026672 664702459 /nfs/dbraw/zinc/70/24/59/664702459.db2.gz CIEGIQASWFTTRT-OWCLPIDISA-N 1 0 379.444 2.727 20 0 GFADRO CC[C@H]([NH2+]C[C@@H](O)c1ccnn1C)c1ccc(I)cc1 ZINC000927132312 664704949 /nfs/dbraw/zinc/70/49/49/664704949.db2.gz LIWXCARFJLEKOL-DZGCQCFKSA-N 1 0 385.249 2.799 20 0 GFADRO Cn1nccc1[C@@H](O)C[NH2+][C@H]1CCN(C)[C@H](c2ccc(Br)cc2)C1 ZINC000927127055 664704963 /nfs/dbraw/zinc/70/49/63/664704963.db2.gz QGSPOTFIQBISQF-SZMVWBNQSA-N 1 0 393.329 2.641 20 0 GFADRO C[C@@H]([NH2+][C@H]1CCc2nnn(C)c2C1)c1ccc(I)cc1 ZINC000927145299 664705147 /nfs/dbraw/zinc/70/51/47/664705147.db2.gz HSIOVIXCIQTNRI-MFKMUULPSA-N 1 0 382.249 2.628 20 0 GFADRO CN(C)c1cc[nH+]c(CNC(=O)COc2ccc(Br)cc2F)c1 ZINC000927708271 664714308 /nfs/dbraw/zinc/71/43/08/664714308.db2.gz NDFCZCBLXJPIIO-UHFFFAOYSA-N 1 0 382.233 2.744 20 0 GFADRO [NH3+]C[C@@H]1Cc2ccccc2N1C(=O)C(F)(F)c1ncccc1Br ZINC000927773608 664715776 /nfs/dbraw/zinc/71/57/76/664715776.db2.gz OAEMLCHJAUKYHY-NSHDSACASA-N 1 0 382.208 2.853 20 0 GFADRO C[C@@H]1C[NH2+]C[C@H]1CNC(=O)C(=O)Nc1cccc(Cl)c1SCC(F)F ZINC000927815385 664716277 /nfs/dbraw/zinc/71/62/77/664716277.db2.gz HAYMAVXBZHFDTA-ZJUUUORDSA-N 1 0 391.871 2.607 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)NC[C@]23CCC[C@H]2[NH2+]CC3)c(Br)c1 ZINC000927869440 664716977 /nfs/dbraw/zinc/71/69/77/664716977.db2.gz BRNQJGHIVYHGEL-RDTXWAMCSA-N 1 0 394.313 2.653 20 0 GFADRO O=C(C1C[NH+](C2CCOCC2)C1)N1CCC[C@H]1c1cncc(Br)c1 ZINC000928354758 664728737 /nfs/dbraw/zinc/72/87/37/664728737.db2.gz STASUQZKEVTZKH-KRWDZBQOSA-N 1 0 394.313 2.618 20 0 GFADRO O=C1N[C@H](c2ccc(Cl)c(F)c2)C(=O)N1[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000929012500 664745291 /nfs/dbraw/zinc/74/52/91/664745291.db2.gz NMIKXWMSLSLQBU-RBSFLKMASA-N 1 0 383.876 2.652 20 0 GFADRO Cc1cc(NC(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)ccc1Br ZINC000929172859 664747622 /nfs/dbraw/zinc/74/76/22/664747622.db2.gz KTNODIALPYFAHY-CVEARBPZSA-N 1 0 382.302 2.820 20 0 GFADRO O=C(Nc1ccc(Br)cc1F)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000929173501 664747802 /nfs/dbraw/zinc/74/78/02/664747802.db2.gz QOZDDOQKYJQUJA-LSDHHAIUSA-N 1 0 386.265 2.651 20 0 GFADRO C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)C[C@@H]1CCC[C@@H](C(F)(F)F)O1 ZINC000929227413 664748599 /nfs/dbraw/zinc/74/85/99/664748599.db2.gz FTGXWJKAMZVHBK-ZLDLUXBVSA-N 1 0 380.432 2.827 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)C1(n2cc(Br)cn2)CC1)c1ccccc1 ZINC000929264071 664749108 /nfs/dbraw/zinc/74/91/08/664749108.db2.gz KQZYRWUJANQDBJ-OAHLLOKOSA-N 1 0 377.286 2.554 20 0 GFADRO CN(C(=O)Nc1cc2c(cc1Br)OCCO2)[C@H]1CCC[N@H+](C)C1 ZINC000929308429 664749827 /nfs/dbraw/zinc/74/98/27/664749827.db2.gz HJYMDEXRFJRESU-NSHDSACASA-N 1 0 384.274 2.778 20 0 GFADRO CC(C)[N@@H+](Cc1cccc(Br)c1)CC1CN(S(C)(=O)=O)C1 ZINC000929339730 664750600 /nfs/dbraw/zinc/75/06/00/664750600.db2.gz NPMYSIFHDZMSNK-UHFFFAOYSA-N 1 0 375.332 2.551 20 0 GFADRO CCC[NH+]1CCC(NC(=O)C[C@@H]2C(=O)Nc3ccc(Br)cc32)CC1 ZINC000929408118 664751810 /nfs/dbraw/zinc/75/18/10/664751810.db2.gz OMNPATUFKFMMRT-HNNXBMFYSA-N 1 0 394.313 2.866 20 0 GFADRO C[NH+]1CCC(NC(=O)c2cnn(Cc3ccccc3)c2Br)CC1 ZINC000929434884 664752319 /nfs/dbraw/zinc/75/23/19/664752319.db2.gz XJBNNMGBRWBSAT-UHFFFAOYSA-N 1 0 377.286 2.518 20 0 GFADRO CC[NH+]1CCC(NC(=O)[C@H](C)c2ccc(I)cc2)CC1 ZINC000929459077 664752641 /nfs/dbraw/zinc/75/26/41/664752641.db2.gz GODYOKDXGGEMQZ-GFCCVEGCSA-N 1 0 386.277 2.995 20 0 GFADRO CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@H+](C[C@@](O)(CC)C(F)(F)F)C1 ZINC000929721357 664756513 /nfs/dbraw/zinc/75/65/13/664756513.db2.gz RORNIPCJFPVJQC-YPMHNXCESA-N 1 0 378.357 2.813 20 0 GFADRO O[C@@H](C[NH2+]C1(c2ccc(Br)cc2)CCCC1)C1(O)CCOCC1 ZINC000929883419 664759058 /nfs/dbraw/zinc/75/90/58/664759058.db2.gz AWYDJSNBNDQSHF-INIZCTEOSA-N 1 0 384.314 2.710 20 0 GFADRO Cc1[nH]nc(Br)c1C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000930164439 664763619 /nfs/dbraw/zinc/76/36/19/664763619.db2.gz YSQFDMLPCGDVPQ-AWEZNQCLSA-N 1 0 377.286 2.875 20 0 GFADRO CC(C)(C)NS(=O)(=O)C1([C@@H](O)C[NH2+][C@@H](c2cccs2)C2CC2)CCC1 ZINC000930187017 664764148 /nfs/dbraw/zinc/76/41/48/664764148.db2.gz AIBPLVPXQZSBHH-JKSUJKDBSA-N 1 0 386.583 2.790 20 0 GFADRO C[C@H]([NH2+]C[C@H]1CCC2(COC2)O1)c1cc2c(cc1Br)OCCO2 ZINC000930207575 664764593 /nfs/dbraw/zinc/76/45/93/664764593.db2.gz AVKCJHAUGATUOU-NWDGAFQWSA-N 1 0 384.270 2.819 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)C1(n2cc(Br)cn2)CC1)c1ccc(F)cc1 ZINC000930264403 664765488 /nfs/dbraw/zinc/76/54/88/664765488.db2.gz PWLGEOYBXPGIIU-HNNXBMFYSA-N 1 0 395.276 2.693 20 0 GFADRO Cn1cc(Br)cc(NC(=O)NC2CCC(C)([NH+]3CCC3)CC2)c1=O ZINC000930294079 664766129 /nfs/dbraw/zinc/76/61/29/664766129.db2.gz HCYUYZYARVHBAL-UHFFFAOYSA-N 1 0 397.317 2.676 20 0 GFADRO CC[N@@H+]1CC[C@H](CNC(=O)[C@@H](C)c2ccc(I)cc2)C1 ZINC000930368940 664768470 /nfs/dbraw/zinc/76/84/70/664768470.db2.gz XIBXNFKMDKSASW-QWHCGFSZSA-N 1 0 386.277 2.853 20 0 GFADRO COCC[C@H]([NH2+]C[C@@H](O)C[C@]1(O)CCOC1)c1ccc(Cl)c(Cl)c1 ZINC000930370653 664768611 /nfs/dbraw/zinc/76/86/11/664768611.db2.gz PBFQJZTXOKGEGQ-RRQGHBQHSA-N 1 0 378.296 2.563 20 0 GFADRO COCC[C@@H]([NH2+]CC1CN(S(C)(=O)=O)C1)c1ccc(Cl)c(Cl)c1 ZINC000930370596 664768617 /nfs/dbraw/zinc/76/86/17/664768617.db2.gz NLDFZUNLNJZTMK-OAHLLOKOSA-N 1 0 381.325 2.552 20 0 GFADRO CC1(C)Oc2ccsc2[C@H]([NH2+]CCCS(=O)(=O)c2ccccc2)[C@H]1O ZINC000930546098 664772814 /nfs/dbraw/zinc/77/28/14/664772814.db2.gz BQNDEYHQFJWYIA-DOTOQJQBSA-N 1 0 381.519 2.775 20 0 GFADRO CS(=O)(=O)C[C@@H]1CC[N@H+](CCCCOc2ccc(Br)cc2)C1 ZINC000930552051 664773055 /nfs/dbraw/zinc/77/30/55/664773055.db2.gz FBVTYXBUBBTMQN-CQSZACIVSA-N 1 0 390.343 2.975 20 0 GFADRO COc1ccc(Br)c([C@@H](CO)[N@H+](C)CCCCCNC(C)=O)c1 ZINC000930625913 664774854 /nfs/dbraw/zinc/77/48/54/664774854.db2.gz ZNDDNXOQOIWHIA-QGZVFWFLSA-N 1 0 387.318 2.729 20 0 GFADRO COC(=O)c1cc(Br)c(CN2C[C@H]3[C@@H](C2)C3(F)F)cc1OC ZINC000930863654 664779940 /nfs/dbraw/zinc/77/99/40/664779940.db2.gz IIMVKTPXNJZIKJ-PHIMTYICSA-N 1 0 376.197 2.941 20 0 GFADRO C[C@@H]1CC[C@@H](C(N)=O)[C@H](C)[N@@H+]1Cc1nnc(-c2ccccc2Br)o1 ZINC000930917506 664780965 /nfs/dbraw/zinc/78/09/65/664780965.db2.gz XKWSOCNGFBSELV-GRYCIOLGSA-N 1 0 393.285 2.973 20 0 GFADRO C[N@@H+]1CC[C@@H]1CNC(=O)Nc1cc(Br)cc(C(=O)N2CCCC2)c1 ZINC000931162655 664787161 /nfs/dbraw/zinc/78/71/61/664787161.db2.gz DYHFBWIINSASOL-OAHLLOKOSA-N 1 0 395.301 2.511 20 0 GFADRO C[N@@H+]1CC[C@H]1CNC(=O)Nc1cc(Br)cc(C(=O)N2CCCC2)c1 ZINC000931162654 664787220 /nfs/dbraw/zinc/78/72/20/664787220.db2.gz DYHFBWIINSASOL-HNNXBMFYSA-N 1 0 395.301 2.511 20 0 GFADRO Cc1ccc(Br)c(C(=O)N2CCC(CC[NH+]3CCOCC3)CC2)n1 ZINC000931181565 664787688 /nfs/dbraw/zinc/78/76/88/664787688.db2.gz JLYIIRZWPHPCFC-UHFFFAOYSA-N 1 0 396.329 2.727 20 0 GFADRO Cc1cc(Br)ccc1[C@@H]1CCC[N@@H+]1C[C@@H](O)C[C@@]1(O)CCOC1 ZINC000931260820 664789624 /nfs/dbraw/zinc/78/96/24/664789624.db2.gz DCOBEGGHYYKQMV-SZMVWBNQSA-N 1 0 384.314 2.797 20 0 GFADRO O[C@@H](CN1CC[NH+](CCc2ccncc2)CC1)c1cccc(Br)c1 ZINC000931347087 664792326 /nfs/dbraw/zinc/79/23/26/664792326.db2.gz OUZZLDATXJAPMH-IBGZPJMESA-N 1 0 390.325 2.738 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(Cc3nnc(-c4ccc(Br)s4)o3)C[C@@H]2C1 ZINC000931429343 664794722 /nfs/dbraw/zinc/79/47/22/664794722.db2.gz FOKUFZIOHADVPC-MNOVXSKESA-N 1 0 383.315 2.944 20 0 GFADRO C[NH+](C)CC1(O)CCN(Cc2coc(-c3ccc(Br)cc3)n2)CC1 ZINC000931483514 664796131 /nfs/dbraw/zinc/79/61/31/664796131.db2.gz CZRNRAKRNUIIAE-UHFFFAOYSA-N 1 0 394.313 2.993 20 0 GFADRO COC(=O)[C@H](c1cc(Cl)cc(Cl)c1)N1CCC(O)(C[NH+](C)C)CC1 ZINC000931481990 664796186 /nfs/dbraw/zinc/79/61/86/664796186.db2.gz VORQPTNOLJDOQU-HNNXBMFYSA-N 1 0 375.296 2.596 20 0 GFADRO O[C@H](C[NH2+]C1(c2cc(Cl)cc(Br)c2)CC1)C1(O)CCOCC1 ZINC000931698969 664803103 /nfs/dbraw/zinc/80/31/03/664803103.db2.gz WEUALCHIVAXKMN-CQSZACIVSA-N 1 0 390.705 2.584 20 0 GFADRO C[NH+](C)C[C@H]1CCCCN1C(=O)C[C@@H]1C(=O)Nc2ccc(Br)cc21 ZINC000931905050 664807171 /nfs/dbraw/zinc/80/71/71/664807171.db2.gz AVSGBRGYLGSRLY-HIFRSBDPSA-N 1 0 394.313 2.818 20 0 GFADRO CN(C)S(=O)(=O)c1ccc(C[N@@H+]2CC[C@@]3(CC(F)(F)C3(F)F)C2)cc1 ZINC000931917075 664807391 /nfs/dbraw/zinc/80/73/91/664807391.db2.gz LMGFHWMUYIJYOA-CQSZACIVSA-N 1 0 380.407 2.803 20 0 GFADRO O=C(N1CCCC[C@H]([NH+]2CCCC2)C1)C1(n2cc(Br)cn2)CC1 ZINC000932273375 664817904 /nfs/dbraw/zinc/81/79/04/664817904.db2.gz BGHDWNSCAKAGSG-HNNXBMFYSA-N 1 0 381.318 2.612 20 0 GFADRO Cc1[nH]nc(Br)c1C(=O)N(C)c1ccc(OCC[NH+](C)C)cc1 ZINC000932507296 664823463 /nfs/dbraw/zinc/82/34/63/664823463.db2.gz JCSFCOHBHXFBQF-UHFFFAOYSA-N 1 0 381.274 2.698 20 0 GFADRO CN(C(=O)c1cnnn1-c1cccc(Cl)c1Cl)[C@H]1C[NH+]2CCC1CC2 ZINC000932540392 664824951 /nfs/dbraw/zinc/82/49/51/664824951.db2.gz WKYRALNXYJZZIQ-HNNXBMFYSA-N 1 0 380.279 2.740 20 0 GFADRO CCN1CC[NH+](CCCCNC(=O)c2cc(Br)cc(OC)c2)CC1 ZINC000932706531 664832436 /nfs/dbraw/zinc/83/24/36/664832436.db2.gz KUOZQVZOFHKNBJ-UHFFFAOYSA-N 1 0 398.345 2.605 20 0 GFADRO C[C@@H](CNC(=O)C/C=C\c1ccc(Br)cc1)C[NH+]1CCN(C)CC1 ZINC000932714722 664832679 /nfs/dbraw/zinc/83/26/79/664832679.db2.gz PVUVSHOREHGWFL-QGZUEGPWSA-N 1 0 394.357 2.852 20 0 GFADRO Cc1ccc2[nH]c(C(=O)NC[C@H](C)N3CC[NH+](C)CC3)cc2c1Br ZINC000932722987 664833482 /nfs/dbraw/zinc/83/34/82/664833482.db2.gz HWEUIHVRJLFNBC-ZDUSSCGKSA-N 1 0 393.329 2.605 20 0 GFADRO O=C(CC[NH+]1CCC2(CCNC(=O)O2)CC1)Nc1ccccc1Br ZINC000932763565 664835502 /nfs/dbraw/zinc/83/55/02/664835502.db2.gz MLUTWBNGMGTITR-UHFFFAOYSA-N 1 0 396.285 2.742 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)c2ncc(Br)cn2)C1 ZINC000932802380 664839322 /nfs/dbraw/zinc/83/93/22/664839322.db2.gz SQZCJEXSSCHTMK-ZIAGYGMSSA-N 1 0 381.318 2.966 20 0 GFADRO O[C@H](COc1ccc(Br)cc1)C[NH+]1CCC(O)(C2CCC2)CC1 ZINC000932821928 664840371 /nfs/dbraw/zinc/84/03/71/664840371.db2.gz IAKQQLSNDSCAGQ-INIZCTEOSA-N 1 0 384.314 2.816 20 0 GFADRO O=C1NC[C@H](O)CC12CC[NH+](CC/C=C/c1ccc(Br)cc1)CC2 ZINC000932842196 664841644 /nfs/dbraw/zinc/84/16/44/664841644.db2.gz RGIAUMYZZJZMIK-XKKXFUJGSA-N 1 0 393.325 2.815 20 0 GFADRO COc1ncc(NC(=O)Nc2cnn(CC[NH+](C)C)c2)c(C)c1Br ZINC000932944672 664844041 /nfs/dbraw/zinc/84/40/41/664844041.db2.gz ZZCGEZJDOVCTDE-UHFFFAOYSA-N 1 0 397.277 2.563 20 0 GFADRO COc1ncc(NC(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)c(C)c1Br ZINC000932957536 664845374 /nfs/dbraw/zinc/84/53/74/664845374.db2.gz DWPJPYTZBIUUNN-INIZCTEOSA-N 1 0 383.290 2.721 20 0 GFADRO O=C1NCC2(CCOCC2)[C@H]1[NH2+][C@H]1CCCc2ccc(Br)cc21 ZINC000933034944 664847710 /nfs/dbraw/zinc/84/77/10/664847710.db2.gz MFARYDLTWYFXQN-HOTGVXAUSA-N 1 0 379.298 2.711 20 0 GFADRO O=C1NCC2(CCOCC2)[C@@H]1[NH2+]Cc1cccc2c(Br)cccc12 ZINC000933036584 664848015 /nfs/dbraw/zinc/84/80/15/664848015.db2.gz WVTCQZDFQANWBZ-QGZVFWFLSA-N 1 0 389.293 2.987 20 0 GFADRO O=C(c1cc(Br)cn2ncnc12)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000933267742 664853918 /nfs/dbraw/zinc/85/39/18/664853918.db2.gz AREOLNBFGGMXEQ-UHFFFAOYSA-N 1 0 392.301 2.582 20 0 GFADRO O=C(c1nc(Br)c2ccccn21)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000933330877 664859333 /nfs/dbraw/zinc/85/93/33/664859333.db2.gz AZQIEACUCGPQSR-CYBMUJFWSA-N 1 0 377.286 2.655 20 0 GFADRO C[C@@](CO)(Cc1ccc(Cl)cc1)[NH2+]CCS(=O)(=O)Cc1ccccc1 ZINC000933443417 664864900 /nfs/dbraw/zinc/86/49/00/664864900.db2.gz RLSOEGXPQGIFSR-IBGZPJMESA-N 1 0 381.925 2.838 20 0 GFADRO CCS(=O)(=O)CC[NH+]1CCC(C(C)(C)CNC(=O)OC(C)(C)C)CC1 ZINC000933480448 664866293 /nfs/dbraw/zinc/86/62/93/664866293.db2.gz LAQNFIUBQXFANP-UHFFFAOYSA-N 1 0 376.563 2.684 20 0 GFADRO COCCOc1ccc(NC(=O)N[C@@H]2CC[N@H+](C)[C@H]2C)cc1Br ZINC000933991967 664885982 /nfs/dbraw/zinc/88/59/82/664885982.db2.gz VDOVROICJHMCLW-SMDDNHRTSA-N 1 0 386.290 2.688 20 0 GFADRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1ncc(Br)cn1 ZINC000934184479 664891848 /nfs/dbraw/zinc/89/18/48/664891848.db2.gz WWMSNHLINXCFAI-CZUORRHYSA-N 1 0 389.297 2.880 20 0 GFADRO CC[NH+]1CCN(CC(C)(C)NC(=O)Nc2cncc(Br)c2C)CC1 ZINC000934267928 664896409 /nfs/dbraw/zinc/89/64/09/664896409.db2.gz GAXQIGCIHCNFMM-UHFFFAOYSA-N 1 0 398.349 2.690 20 0 GFADRO Cc1c(Br)cncc1NC(=O)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000934268349 664896422 /nfs/dbraw/zinc/89/64/22/664896422.db2.gz ALTSBYJQQXCLPK-AWEZNQCLSA-N 1 0 397.317 2.871 20 0 GFADRO Cc1c(Br)cncc1NC(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000934270718 664896614 /nfs/dbraw/zinc/89/66/14/664896614.db2.gz VNIKVTFTHKRMHM-ZDUSSCGKSA-N 1 0 385.306 2.727 20 0 GFADRO O[C@@H](C[NH2+][C@@H]1CCOC12CCOCC2)COc1cc(Cl)ccc1Cl ZINC000934408449 664906125 /nfs/dbraw/zinc/90/61/25/664906125.db2.gz CTGHDECJIDRSIP-XJKSGUPXSA-N 1 0 376.280 2.661 20 0 GFADRO C[NH+](C)CCN(Cc1ccco1)C(=O)c1cnn2cccc(Br)c12 ZINC000934489470 664907993 /nfs/dbraw/zinc/90/79/93/664907993.db2.gz BQXJMPKVZNYSKQ-UHFFFAOYSA-N 1 0 391.269 2.894 20 0 GFADRO Cc1cc(NC(=O)CC[NH2+][C@](C)(CO)c2cccc(Br)c2)no1 ZINC000934497916 664909469 /nfs/dbraw/zinc/90/94/69/664909469.db2.gz SIVVECYTATVITJ-MRXNPFEDSA-N 1 0 382.258 2.571 20 0 GFADRO Cc1c(Br)ccc(F)c1C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000934723268 664915438 /nfs/dbraw/zinc/91/54/38/664915438.db2.gz ATYGKDHLOYETOX-ZDUSSCGKSA-N 1 0 385.277 2.880 20 0 GFADRO CN(C)[S@@](C)(=O)=NCC1CC[NH+](C[C@@H](O)Cc2cccc(Cl)c2)CC1 ZINC000934753788 664918926 /nfs/dbraw/zinc/91/89/26/664918926.db2.gz ZQZDZIIWHLKOQI-BVZFJXPGSA-N 1 0 387.977 2.530 20 0 GFADRO Cc1ccc([C@@H](O)C[NH2+][C@H](CO)c2ccccc2I)cc1 ZINC000934829757 664926536 /nfs/dbraw/zinc/92/65/36/664926536.db2.gz SXJWNFJUCYDKRV-SJORKVTESA-N 1 0 397.256 2.956 20 0 GFADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3ccc4c(Br)cnn4c3)CC[C@H]21 ZINC000934890492 664928338 /nfs/dbraw/zinc/92/83/38/664928338.db2.gz NLZQZTJWPIUIIH-IUODEOHRSA-N 1 0 377.286 2.653 20 0 GFADRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3ccc4c(Br)cnn4c3)CC[C@H]21 ZINC000934890493 664928405 /nfs/dbraw/zinc/92/84/05/664928405.db2.gz NLZQZTJWPIUIIH-SWLSCSKDSA-N 1 0 377.286 2.653 20 0 GFADRO C[NH+]1CCC(OCC(=O)N(CCCO)Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000934938992 664930666 /nfs/dbraw/zinc/93/06/66/664930666.db2.gz QPZZPXSZOQPIQM-UHFFFAOYSA-N 1 0 389.323 2.815 20 0 GFADRO Cc1c(Br)cc(F)cc1C(=O)NCCCC[N@@H+]1CCC[C@H]1CO ZINC000934951787 664931348 /nfs/dbraw/zinc/93/13/48/664931348.db2.gz HKFRFUFRAPJQGN-AWEZNQCLSA-N 1 0 387.293 2.863 20 0 GFADRO Cn1c(C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)cc2cc(Br)cnc21 ZINC000934951516 664931451 /nfs/dbraw/zinc/93/14/51/664931451.db2.gz OXRKGDRWQXMSAT-SWLSCSKDSA-N 1 0 391.313 2.892 20 0 GFADRO C[N@@H+]1CC[C@@H](NC(=O)C2(n3cc(Br)cn3)CC2)[C@H]1c1ccccc1 ZINC000935116720 664940881 /nfs/dbraw/zinc/94/08/81/664940881.db2.gz ANUGRRCMRQHQFI-HZPDHXFCSA-N 1 0 389.297 2.696 20 0 GFADRO Cc1cc(C(=O)NCc2ccnc(OCC[NH+](C)C)c2)oc1Br ZINC000935146345 664942631 /nfs/dbraw/zinc/94/26/31/664942631.db2.gz HZBRWCQBUDHHGT-UHFFFAOYSA-N 1 0 382.258 2.616 20 0 GFADRO CN(CC[N@H+](C)C1CC1)C(=O)c1cc2ccc(Br)cc2c(=O)o1 ZINC000935443430 664962077 /nfs/dbraw/zinc/96/20/77/664962077.db2.gz KVNQZIFWQXYBOH-UHFFFAOYSA-N 1 0 379.254 2.722 20 0 GFADRO CCN(CCC[NH+](C)C)C(=O)C[C@H]1C(=O)Nc2c1cccc2Br ZINC000935580867 664971344 /nfs/dbraw/zinc/97/13/44/664971344.db2.gz IIHISJJAMADFCT-CYBMUJFWSA-N 1 0 382.302 2.675 20 0 GFADRO CC[NH+](CC)CC[C@@H](CO)NC(=O)c1cc(Br)cnc1C1CC1 ZINC000935780251 664988246 /nfs/dbraw/zinc/98/82/46/664988246.db2.gz JMDWZHGMQRABGM-AWEZNQCLSA-N 1 0 384.318 2.544 20 0 GFADRO O=C(NCc1cnc(Br)cn1)c1ccc(C[NH+]2CCCCC2)o1 ZINC000935843257 664992341 /nfs/dbraw/zinc/99/23/41/664992341.db2.gz PRUSXAXHDYOJMJ-UHFFFAOYSA-N 1 0 379.258 2.748 20 0 GFADRO O=C([C@@H]1C[C@H]2CC[C@@H]1O2)N1CC[C@@H]([NH2+]Cc2ccc(Br)cc2)C1 ZINC000970034807 665014989 /nfs/dbraw/zinc/01/49/89/665014989.db2.gz YKQUWLOJJLQPMA-VQHPVUNQSA-N 1 0 379.298 2.707 20 0 GFADRO O=C([C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)N1CCC(C[NH2+]Cc2cnc(Cl)s2)CC1 ZINC000997917663 665038116 /nfs/dbraw/zinc/03/81/16/665038116.db2.gz CLICMJOLJWYSNS-LEOABGAYSA-N 1 0 381.929 2.548 20 0 GFADRO C[C@@H]1CCC[N@@H+]1CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1csc(Cl)c1)C2 ZINC001002615195 665055788 /nfs/dbraw/zinc/05/57/88/665055788.db2.gz PRVYMNBOJYHAAL-NGFQHRJXSA-N 1 0 381.929 2.748 20 0 GFADRO Cc1csc(Cl)c1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C2 ZINC001002789764 665057418 /nfs/dbraw/zinc/05/74/18/665057418.db2.gz GSJJJOCBIMBVRL-SYQHCUMBSA-N 1 0 381.929 2.523 20 0 GFADRO C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2sccc2Cl)C1 ZINC001006292777 665069906 /nfs/dbraw/zinc/06/99/06/665069906.db2.gz AJTLVADLWYAWAE-GBOPCIDUSA-N 1 0 381.929 2.605 20 0 GFADRO O=C([C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)N1CC[C@H]([NH2+]Cc2sccc2Br)C1 ZINC001019168703 665072883 /nfs/dbraw/zinc/07/28/83/665072883.db2.gz RTJCYNJWUQMPDY-JYXMKJBCSA-N 1 0 397.338 2.625 20 0 GFADRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2ccccc2Br)C1)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001022453151 665073944 /nfs/dbraw/zinc/07/39/44/665073944.db2.gz YPJXXLQTPTVTFM-VGTNMUMZSA-N 1 0 391.309 2.609 20 0 GFADRO Cc1ccc(NC(=O)C(=O)N2CCC([NH+]3CCCC3)CC2)c(Br)c1 ZINC000120577564 677397248 /nfs/dbraw/zinc/39/72/48/677397248.db2.gz FOPJOUOVDFKWQX-UHFFFAOYSA-N 1 0 394.313 2.783 20 0 GFADRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000391751928 677409256 /nfs/dbraw/zinc/40/92/56/677409256.db2.gz PMHGCHYARLYNSA-LBPRGKRZSA-N 1 0 375.878 2.709 20 0 GFADRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NS(=O)(=O)c1cccnc1Cl ZINC000398162067 677411884 /nfs/dbraw/zinc/41/18/84/677411884.db2.gz QWXCDJMTCCVOIR-GOEBONIOSA-N 1 0 379.913 2.924 20 0 GFADRO Cc1cc(NC(=O)CN2CCC[C@H](n3ccnn3)C2)ccc1Br ZINC000579826074 677673602 /nfs/dbraw/zinc/67/36/02/677673602.db2.gz HJQBDTJZIPHQHI-AWEZNQCLSA-N 1 0 378.274 2.625 20 0 GFADRO Cc1ccc(C)c(OC[C@@H](O)C[N@H+](C)CCn2cc(Br)cn2)c1 ZINC000580121562 677673694 /nfs/dbraw/zinc/67/36/94/677673694.db2.gz RMLVZOMRXGLCDB-INIZCTEOSA-N 1 0 382.302 2.634 20 0 GFADRO C[C@@H](CC(=O)NC[C@@]1(O)C[NH+]2CCC1CC2)c1ccc(Br)cc1 ZINC000580214810 677673795 /nfs/dbraw/zinc/67/37/95/677673795.db2.gz GOVVXSZLOAHPDG-SCLBCKFNSA-N 1 0 381.314 2.516 20 0 GFADRO COc1cc(Br)c(C[NH2+]C[C@H](CO)c2cccnc2)cc1OC ZINC000580251732 677673932 /nfs/dbraw/zinc/67/39/32/677673932.db2.gz PEFHAQSRIZIDOC-CQSZACIVSA-N 1 0 381.270 2.727 20 0 GFADRO OC[C@@H]1CC[N@H+](Cc2c(-c3ccc(Cl)cc3)nc3sccn23)C[C@H]1O ZINC000580252506 677673982 /nfs/dbraw/zinc/67/39/82/677673982.db2.gz AGRNGKFYBCZFFI-XJKSGUPXSA-N 1 0 377.897 2.891 20 0 GFADRO C[C@H](Sc1nc2ccccc2s1)C(=O)NC1(CCO)CC[NH+](C)CC1 ZINC000781061741 677674529 /nfs/dbraw/zinc/67/45/29/677674529.db2.gz YZYZOPCDQSABJR-ZDUSSCGKSA-N 1 0 379.551 2.740 20 0 GFADRO Clc1cccc(-c2nc3c(c(N4CCN5CC[NH2+]C[C@H]5C4)n2)CCCC3)c1 ZINC001164401751 718841515 /nfs/dbraw/zinc/84/15/15/718841515.db2.gz AGAFKDBTSDTDHS-KRWDZBQOSA-N 1 0 383.927 2.770 20 0 GFADRO FC(F)(c1nc(Cl)c2cc(Cl)ccc2n1)N1CCOCC12C[NH2+]C2 ZINC001164403930 718860025 /nfs/dbraw/zinc/86/00/25/718860025.db2.gz NWQJWENHLPVGSK-UHFFFAOYSA-N 1 0 375.206 2.660 20 0 GFADRO Fc1cccc2c(Cl)nc(C(F)(F)N3CCO[C@@H]4C[NH2+]CC[C@@H]4C3)nc12 ZINC001164403417 718862171 /nfs/dbraw/zinc/86/21/71/718862171.db2.gz NPILTECBFDBHRC-ZWNOBZJWSA-N 1 0 386.805 2.782 20 0 GFADRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(F)(F)c1cnc(Cl)c(C2CC2)c1 ZINC001164614982 719020282 /nfs/dbraw/zinc/02/02/82/719020282.db2.gz HAFVQYIHCORKEK-TUKIKUTGSA-N 1 0 385.842 2.887 20 0 GFADRO CC1(C)C(=O)Nc2ncnc(N3CCC[C@H]4C[N@H+](Cc5ccccc5)C[C@H]43)c21 ZINC001164627356 719094611 /nfs/dbraw/zinc/09/46/11/719094611.db2.gz JYDOYEOVBAOINL-DLBZAZTESA-N 1 0 377.492 2.807 20 0 GFADRO CNC(=O)c1cc(Cl)nc(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)n1 ZINC001164630877 719111352 /nfs/dbraw/zinc/11/13/52/719111352.db2.gz XCXRMHYXMZQVTF-DOTOQJQBSA-N 1 0 385.899 2.590 20 0 GFADRO [NH3+]C1([C@@H]2CN(c3ncnc4c3CCN(Cc3ccccc3)C4)C[C@H]2CF)CC1 ZINC001164628782 719117717 /nfs/dbraw/zinc/11/77/17/719117717.db2.gz OCDDALBOTKZSQN-IEBWSBKVSA-N 1 0 381.499 2.548 20 0 GFADRO COC(=O)c1ccc(C(F)(F)N2C[C@H](CF)[C@H](C3([NH3+])CC3)C2)c(Cl)n1 ZINC001164622392 719118088 /nfs/dbraw/zinc/11/80/88/719118088.db2.gz BYZCHKSGIZYLIY-GXSJLCMTSA-N 1 0 377.794 2.580 20 0 GFADRO COc1ccc(-c2csc3ncnc(N4C[C@H]5OCC[N@H+](C)[C@@H]5C4)c23)cc1 ZINC000329910458 719436009 /nfs/dbraw/zinc/43/60/09/719436009.db2.gz NHKPXQJOKHYXBS-IAGOWNOFSA-N 1 0 382.489 2.886 20 0 GFADRO Cc1cc(Cl)nc(C(F)(F)n2nc(CN(C)C(C)C)c3c2C[NH2+]CC3)n1 ZINC001164685214 719605779 /nfs/dbraw/zinc/60/57/79/719605779.db2.gz SSNZJWGVZFSDOV-UHFFFAOYSA-N 1 0 384.862 2.718 20 0 GFADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1nnc(-c3cccc(F)c3)cc1C)CC2 ZINC001164690015 719752932 /nfs/dbraw/zinc/75/29/32/719752932.db2.gz ORYQRVBHVRSOFQ-UHFFFAOYSA-N 1 0 397.498 2.772 20 0 GFADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1nccc3cc(OC)c(F)cc31)CC2 ZINC001164690312 719753515 /nfs/dbraw/zinc/75/35/15/719753515.db2.gz ZJCFMZQFTLIRTQ-UHFFFAOYSA-N 1 0 386.471 2.563 20 0 GFADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1nnc(-c3ccccc3F)cc1C)CC2 ZINC001164689321 719753614 /nfs/dbraw/zinc/75/36/14/719753614.db2.gz ATPMUGMEVNEHQQ-UHFFFAOYSA-N 1 0 397.498 2.772 20 0 GFADRO Cc1nc(C[N@H+]2CCCC23CCN(c2ncnc4ncn(C)c42)CC3)cs1 ZINC001164690919 719805380 /nfs/dbraw/zinc/80/53/80/719805380.db2.gz CNSBXSJUTDDHAM-UHFFFAOYSA-N 1 0 383.525 2.763 20 0 GFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1c[nH]c3ncnc(Cl)c13)C2 ZINC001164811653 720081022 /nfs/dbraw/zinc/08/10/22/720081022.db2.gz OSWMUGRVBGHBLZ-AUUYWEPGSA-N 1 0 375.904 2.748 20 0 GFADRO CCOC(=O)c1cc(F)cnc1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@H]2COC ZINC001164807426 720083301 /nfs/dbraw/zinc/08/33/01/720083301.db2.gz FKORMFUKLZATGV-KKSFZXQISA-N 1 0 391.487 2.582 20 0 GFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(Cl)nc3cnccc31)C2 ZINC001164811441 720098634 /nfs/dbraw/zinc/09/86/34/720098634.db2.gz OKIXTOXXOKTUKI-FOIQADDNSA-N 1 0 387.915 2.863 20 0 GFADRO CCOCc1cnc(Cl)nc1N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COC ZINC001164817742 720153536 /nfs/dbraw/zinc/15/35/36/720153536.db2.gz QDMRBFKJNVZLQF-YLJYHZDGSA-N 1 0 394.947 2.851 20 0 GFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cc(N3CCCCC3)ncn1)C2 ZINC001164818708 720165358 /nfs/dbraw/zinc/16/53/58/720165358.db2.gz UGKSNNCBBFUUIC-SIKLNZKXSA-N 1 0 385.556 2.652 20 0 GFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ccc(-c3ccncc3)nn1)C2 ZINC001164815043 720180650 /nfs/dbraw/zinc/18/06/50/720180650.db2.gz HEVCPMPWWHUPCK-SIKLNZKXSA-N 1 0 379.508 2.723 20 0 GFADRO CC(C)c1ccc(N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)nc1 ZINC001164717007 720184328 /nfs/dbraw/zinc/18/43/28/720184328.db2.gz IYEYBOMMJYJSEX-LJQANCHMSA-N 1 0 384.528 2.550 20 0 GFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ccnc(-c3nccs3)n1)C2 ZINC001164813989 720201890 /nfs/dbraw/zinc/20/18/90/720201890.db2.gz RNDSAOZWLMTMBU-OXJNMPFZSA-N 1 0 385.537 2.785 20 0 GFADRO Cc1ccc2ncnc(N3CCCn4c(=O)cc(C[N@@H+](C)C(C)C)nc4C3)c2c1 ZINC001164815429 720216019 /nfs/dbraw/zinc/21/60/19/720216019.db2.gz ZDALFZJSUJNTGD-UHFFFAOYSA-N 1 0 392.507 2.745 20 0 GFADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2ncnc3ccc(F)cc32)CC1 ZINC001164821948 720299205 /nfs/dbraw/zinc/29/92/05/720299205.db2.gz MAOUZFROVCLOMK-VQTJNVASSA-N 1 0 397.498 2.680 20 0 GFADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2cc3ccccc3nn2)CC1 ZINC001164831945 720320650 /nfs/dbraw/zinc/32/06/50/720320650.db2.gz SINZWUAPXSJHCF-VQTJNVASSA-N 1 0 379.508 2.541 20 0 GFADRO CCOC(=O)/C=C\c1cccnc1N1CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164728441 720337194 /nfs/dbraw/zinc/33/71/94/720337194.db2.gz VPVXLFOERRHEGP-ILWWCXPUSA-N 1 0 378.476 2.906 20 0 GFADRO C[C@@H]1CCc2nnc(N3CC[C@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)cc2C1 ZINC001164824402 720349670 /nfs/dbraw/zinc/34/96/70/720349670.db2.gz IFNVDDRDFOQGSZ-HBGVWJBISA-N 1 0 397.567 2.513 20 0 GFADRO CCOC(=O)c1nnc(Cl)cc1N1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164725054 720374286 /nfs/dbraw/zinc/37/42/86/720374286.db2.gz LLHTXUNYTORSJO-CABCVRRESA-N 1 0 387.871 2.555 20 0 GFADRO COc1nc(-c2ccccc2)nc(N2CC[C@@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)n1 ZINC001164722475 720401524 /nfs/dbraw/zinc/40/15/24/720401524.db2.gz CSBGKZHEWNMCBF-MOPGFXCFSA-N 1 0 388.475 2.795 20 0 GFADRO COC(=O)/C=C/c1cc(C)cnc1N1CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164732147 720418549 /nfs/dbraw/zinc/41/85/49/720418549.db2.gz NDTUOUVPSRASOT-BGEOSOQGSA-N 1 0 378.476 2.824 20 0 GFADRO Cc1cnc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)nc1NC1CC1 ZINC001164841656 720504380 /nfs/dbraw/zinc/50/43/80/720504380.db2.gz ZHBYBWROAFGOIF-YSIASYRMSA-N 1 0 395.555 2.934 20 0 GFADRO C[NH+](C)C[C@H]1Cn2ccnc2CN(C(F)(F)c2cnc(Cl)nc2Cl)C1 ZINC001164729181 720506006 /nfs/dbraw/zinc/50/60/06/720506006.db2.gz ICUWDPMBIFBCDF-JTQLQIEISA-N 1 0 391.253 2.723 20 0 GFADRO CCOC(=O)c1ccc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)nc1 ZINC001164837858 720508731 /nfs/dbraw/zinc/50/87/31/720508731.db2.gz QANSJYFIWDICIG-XUVXKRRUSA-N 1 0 397.523 2.833 20 0 GFADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3ncnc4ncccc43)CC[C@@H]21 ZINC001164836037 720517282 /nfs/dbraw/zinc/51/72/82/720517282.db2.gz LVXOIHCAIIOWGB-LNLFQRSKSA-N 1 0 377.496 2.599 20 0 GFADRO COc1ccc(C(F)(F)N2Cc3nccn3C[C@H](C[NH+](C)C)C2)nc1Cl ZINC001164727388 720517623 /nfs/dbraw/zinc/51/76/23/720517623.db2.gz FEMWIRHJXZHGIH-LBPRGKRZSA-N 1 0 385.846 2.683 20 0 GFADRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(c2nc(Cl)nc3c(Cl)nccc32)C1 ZINC001164731847 720522749 /nfs/dbraw/zinc/52/27/49/720522749.db2.gz BBTYUEPBVIRPPR-LLVKDONJSA-N 1 0 392.294 2.726 20 0 GFADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3ncnc4cnc(F)cc43)CC[C@@H]21 ZINC001164834743 720523900 /nfs/dbraw/zinc/52/39/00/720523900.db2.gz HLBIFZORZLDUJE-BXWFABGCSA-N 1 0 395.486 2.738 20 0 GFADRO Cc1cc2c(ncnc2N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)[nH]1 ZINC001164834908 720525840 /nfs/dbraw/zinc/52/58/40/720525840.db2.gz IEGFYEOSTJFQIJ-YQVWRLOYSA-N 1 0 379.512 2.841 20 0 GFADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3cccc(Cl)[n+]3[O-])CC[C@@H]21 ZINC001164835457 720531078 /nfs/dbraw/zinc/53/10/78/720531078.db2.gz HJNIRCSACUQUEX-ULQDDVLXSA-N 1 0 375.904 2.548 20 0 GFADRO COCOc1ccc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)nc1 ZINC001164842081 720549029 /nfs/dbraw/zinc/54/90/29/720549029.db2.gz WIWPPRHDEJHPQE-CMKODMSKSA-N 1 0 385.512 2.639 20 0 GFADRO Clc1nnc(N2CCc3ncc(C[NH+]4CCCC4)n3CC2)c2c1CCCC2 ZINC001164729665 720560386 /nfs/dbraw/zinc/56/03/86/720560386.db2.gz SKVXSJZIIMXPJZ-UHFFFAOYSA-N 1 0 386.931 2.864 20 0 GFADRO CSc1ncc(Cl)nc1N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001164736370 720579068 /nfs/dbraw/zinc/57/90/68/720579068.db2.gz KXCUDNJAIVNSTL-UHFFFAOYSA-N 1 0 378.933 2.707 20 0 GFADRO COc1ncc(Cl)c(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)n1 ZINC001164841089 720633032 /nfs/dbraw/zinc/63/30/32/720633032.db2.gz RARDWMOUHJQZNS-HLLBOEOZSA-N 1 0 390.919 2.713 20 0 GFADRO CN(C)c1nccnc1N1CCC2(C[C@@H]([N@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164843333 720682593 /nfs/dbraw/zinc/68/25/93/720682593.db2.gz OBHZUDNROLHQKO-LJQANCHMSA-N 1 0 381.524 2.803 20 0 GFADRO Cc1ccc2nc(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)c(Cl)nc2c1 ZINC001164737809 720684531 /nfs/dbraw/zinc/68/45/31/720684531.db2.gz GYYCXCUCURVHQV-HUUCEWRRSA-N 1 0 396.882 2.724 20 0 GFADRO c1cc2ccnc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c2o1 ZINC001164738749 720815149 /nfs/dbraw/zinc/81/51/49/720815149.db2.gz GEKZUFBNQASAOA-IPMKNSEASA-N 1 0 378.480 2.799 20 0 GFADRO CC(C)Oc1cccc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164741524 720833769 /nfs/dbraw/zinc/83/37/69/720833769.db2.gz FIHALMQIOOLZNR-SLFFLAALSA-N 1 0 396.539 2.840 20 0 GFADRO COCC[N@@H+]1CCO[C@@H]2CN(c3nc(SC)nc4sccc43)CC[C@H]2C1 ZINC001164857163 720837532 /nfs/dbraw/zinc/83/75/32/720837532.db2.gz XYIXTMOHIKSOQB-DZGCQCFKSA-N 1 0 394.566 2.587 20 0 GFADRO CSc1ccnc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c1 ZINC001164741321 720847600 /nfs/dbraw/zinc/84/76/00/720847600.db2.gz DZWOERCMTOKVSR-ZIFCJYIRSA-N 1 0 384.553 2.774 20 0 GFADRO COCC[N@@H+]1CCO[C@@H]2CN(c3nc(Cl)nc4cc(C)ccc43)CC[C@H]2C1 ZINC001164851567 720856519 /nfs/dbraw/zinc/85/65/19/720856519.db2.gz AZFMEOSRTIMYHF-MAUKXSAKSA-N 1 0 390.915 2.765 20 0 GFADRO COCC[N@@H+]1CCO[C@@H]2CN(C(F)(F)c3cc(C)cc(Cl)n3)CC[C@@H]2C1 ZINC001164862184 720861774 /nfs/dbraw/zinc/86/17/74/720861774.db2.gz ZKEZMIUJPLSURX-HUUCEWRRSA-N 1 0 389.874 2.762 20 0 GFADRO Cc1cc(Cl)nc(N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@@H]2C)c1C(N)=O ZINC001164863221 720926909 /nfs/dbraw/zinc/92/69/09/720926909.db2.gz XQHJRAGXISXDNG-ZDUSSCGKSA-N 1 0 390.919 2.760 20 0 GFADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1nc(Cl)cc(N(C)C)n1)[C@@H]2C ZINC001164858606 720966220 /nfs/dbraw/zinc/96/62/20/720966220.db2.gz JOVFEGUQYAQCTG-CYBMUJFWSA-N 1 0 377.924 2.814 20 0 GFADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1ncc3ncnc(Cl)c3n1)[C@@H]2C ZINC001164857212 720980242 /nfs/dbraw/zinc/98/02/42/720980242.db2.gz DMTPHSTWIFCERW-GFCCVEGCSA-N 1 0 386.891 2.691 20 0 GFADRO CSc1ncc(Cl)c(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164868190 721060461 /nfs/dbraw/zinc/06/04/61/721060461.db2.gz NOHTTYYOLFMJAF-CABCVRRESA-N 1 0 391.928 2.727 20 0 GFADRO Clc1cnc(Cl)c(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164866345 721081025 /nfs/dbraw/zinc/08/10/25/721081025.db2.gz SNLRMCYCNTXVII-ZIAGYGMSSA-N 1 0 380.279 2.658 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4nc(Cl)nc5c4CCCC5)C[C@H]3C2)cn1 ZINC001164772129 721092847 /nfs/dbraw/zinc/09/28/47/721092847.db2.gz UGAZDKMNLFMWDV-HZPDHXFCSA-N 1 0 386.931 2.701 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4cnc5c(Cl)cccc5n4)C[C@@H]3C2)cn1 ZINC001164772770 721108572 /nfs/dbraw/zinc/10/85/72/721108572.db2.gz WQLPGLCWQPWFKM-CVEARBPZSA-N 1 0 382.899 2.975 20 0 GFADRO Clc1nnc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)c2occc21 ZINC001164864036 721113544 /nfs/dbraw/zinc/11/35/44/721113544.db2.gz DNRCPEHOJNCFSD-GJZGRUSLSA-N 1 0 385.855 2.751 20 0 GFADRO COc1cc(N2C[C@@H]3C[N@@H+](Cc4cnn(C)c4)CC[C@@H]3C2)nc2ccccc21 ZINC001164764211 721171875 /nfs/dbraw/zinc/17/18/75/721171875.db2.gz GOURVROWXGVCNF-MSOLQXFVSA-N 1 0 377.492 2.935 20 0 GFADRO CCc1cc2c(nc(Cl)nc2N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)[nH]1 ZINC001164763221 721184192 /nfs/dbraw/zinc/18/41/92/721184192.db2.gz DSYCMLKCZJYFMY-LSDHHAIUSA-N 1 0 399.930 2.866 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4ccc(-c5ccc(F)cc5)nn4)C[C@@H]3C2)cn1 ZINC001164770108 721211800 /nfs/dbraw/zinc/21/18/00/721211800.db2.gz NDLPBONCFNNOFD-MOPGFXCFSA-N 1 0 392.482 2.975 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4cncc(N5CCCCCC5)n4)C[C@H]3C2)cn1 ZINC001164761365 721223133 /nfs/dbraw/zinc/22/31/33/721223133.db2.gz AYTRYKREODCJHL-VQTJNVASSA-N 1 0 395.555 2.549 20 0 GFADRO Cc1nc2ccccc2c(N2CC[C@@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)n1 ZINC001164894108 721394413 /nfs/dbraw/zinc/39/44/13/721394413.db2.gz XSHFMTYOCNXNQA-WMZHIEFXSA-N 1 0 395.551 2.704 20 0 GFADRO Cc1cc2c(ccnc2N2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)o1 ZINC001164893134 721439719 /nfs/dbraw/zinc/43/97/19/721439719.db2.gz JFRDWMMOPIAYRX-XMSQKQJNSA-N 1 0 384.524 2.902 20 0 GFADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncccc1F)CC2 ZINC001164785935 721450111 /nfs/dbraw/zinc/45/01/11/721450111.db2.gz IWBJTHWQQCXARZ-GOSISDBHSA-N 1 0 377.504 2.955 20 0 GFADRO CNC(=O)c1cccnc1N1CCC2(CC([N@H+](C)Cc3ccncc3)C2)CC1 ZINC001164796792 721497644 /nfs/dbraw/zinc/49/76/44/721497644.db2.gz YDQYPKNRKYTVIR-UHFFFAOYSA-N 1 0 379.508 2.717 20 0 GFADRO COc1nc(Cl)cc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)n1 ZINC001164901713 721511807 /nfs/dbraw/zinc/51/18/07/721511807.db2.gz YDZRUUQSFNVHCT-DZGCQCFKSA-N 1 0 378.835 2.620 20 0 GFADRO COC(=O)c1ccnc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)c1C ZINC001164900119 721522761 /nfs/dbraw/zinc/52/27/61/721522761.db2.gz OGLSQMATFJAIEK-AEFFLSMTSA-N 1 0 385.439 2.658 20 0 GFADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncnc3ccccc32)[C@H]2CCCO[C@H]12 ZINC001164802541 721529857 /nfs/dbraw/zinc/52/98/57/721529857.db2.gz GYZZERIDCONJKV-HBMCJLEFSA-N 1 0 375.476 2.893 20 0 GFADRO COC(=O)c1cc(C)cc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)n1 ZINC001164912477 721542154 /nfs/dbraw/zinc/54/21/54/721542154.db2.gz ZYOHPTLBMBXSLE-FUHWJXTLSA-N 1 0 385.439 2.658 20 0 GFADRO Fc1cccc(O[C@@H]2C[C@H]3CN(c4cncc(N5CCCCC5)n4)CC[N@@H+]3C2)c1 ZINC001164902651 721545829 /nfs/dbraw/zinc/54/58/29/721545829.db2.gz AUSHPFJKQXAWMY-AZUAARDMSA-N 1 0 397.498 2.948 20 0 GFADRO Fc1cccc(O[C@@H]2C[C@H]3CN([C@H](F)Oc4cncc(Cl)n4)CC[N@@H+]3C2)c1 ZINC001164906481 721563848 /nfs/dbraw/zinc/56/38/48/721563848.db2.gz JOLABTYNYBRGQU-JOQOYGCGSA-N 1 0 396.825 2.739 20 0 GFADRO Nc1nc(Cl)cc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)n1 ZINC001164905715 721582586 /nfs/dbraw/zinc/58/25/86/721582586.db2.gz VHHZNAUXCMELGC-QGZVFWFLSA-N 1 0 394.857 2.845 20 0 GFADRO C[NH+](C)Cc1ccnc(N2CCO[C@@H]3[C@@H](COCc4nccs4)CC[C@@H]32)c1 ZINC001164915934 721811230 /nfs/dbraw/zinc/81/12/30/721811230.db2.gz DTLXLDHDBFVDMV-FUHIMQAGSA-N 1 0 388.537 2.800 20 0 GFADRO COC(=O)c1ccnc(N(C)C2CC[NH+](Cc3c(OC)cccc3OC)CC2)c1 ZINC001165022340 721838000 /nfs/dbraw/zinc/83/80/00/721838000.db2.gz RFUAVRBOHQLSFY-UHFFFAOYSA-N 1 0 399.491 2.986 20 0 GFADRO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2C(F)(F)c1cnc(Cl)nc1Cl ZINC001164921980 721848987 /nfs/dbraw/zinc/84/89/87/721848987.db2.gz PDSVKBJDNICIKD-NWDGAFQWSA-N 1 0 380.270 2.543 20 0 GFADRO C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2c1nccc(-c2c[nH]c3ccccc23)n1 ZINC001164931798 721861780 /nfs/dbraw/zinc/86/17/80/721861780.db2.gz WFGOGZZREKDTFM-SFTDATJTSA-N 1 0 376.508 2.840 20 0 GFADRO C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2C(F)(F)c1cc(C2CC2)nnc1Cl ZINC001164931481 721880939 /nfs/dbraw/zinc/88/09/39/721880939.db2.gz FROUEGFTERXYMG-HOTGVXAUSA-N 1 0 385.890 2.767 20 0 GFADRO O=C1NCCN(Cc2ccccc2)C12CCN(c1[nH+]ccc3[nH]ccc31)CC2 ZINC001164943696 721969548 /nfs/dbraw/zinc/96/95/48/721969548.db2.gz BWVKGOVYOXSOFS-UHFFFAOYSA-N 1 0 375.476 2.534 20 0 GFADRO CCOC(=O)c1nc2ccn(C)c2c(N2CCCC[C@@H]2CC[NH+]2CCCC2)n1 ZINC001165050616 721974223 /nfs/dbraw/zinc/97/42/23/721974223.db2.gz ZTTRYLSXRNNKAB-MRXNPFEDSA-N 1 0 385.512 2.990 20 0 GFADRO c1cncc(C[N@@H+]2CCC3(C2)CCN(c2nccc(N4CCCC4)n2)CC3)c1 ZINC001164955041 722012286 /nfs/dbraw/zinc/01/22/86/722012286.db2.gz RUTCVNXPWHXAJO-UHFFFAOYSA-N 1 0 378.524 2.964 20 0 GFADRO CCOC(=O)c1cnc(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)cn1 ZINC001164951497 722017038 /nfs/dbraw/zinc/01/70/38/722017038.db2.gz ATWPFDVCJLTXEF-UHFFFAOYSA-N 1 0 381.480 2.541 20 0 GFADRO CCOC(=O)c1nccnc1N1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001164952182 722017860 /nfs/dbraw/zinc/01/78/60/722017860.db2.gz IVFYQTAWJCOJEI-UHFFFAOYSA-N 1 0 381.480 2.541 20 0 GFADRO c1cc(C[N@@H+]2CCOCC3(CCN(c4cc(C5CC5)ncn4)CC3)C2)ccn1 ZINC001164962311 722060379 /nfs/dbraw/zinc/06/03/79/722060379.db2.gz QSEKCQWVALJDBN-UHFFFAOYSA-N 1 0 379.508 2.868 20 0 GFADRO COc1ccc(Cl)nc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164972470 722123662 /nfs/dbraw/zinc/12/36/62/722123662.db2.gz FRAGNFZVZNYHMN-FUHWJXTLSA-N 1 0 388.899 2.866 20 0 GFADRO CC(C)(C)c1cc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)ncn1 ZINC001164985523 722140439 /nfs/dbraw/zinc/14/04/39/722140439.db2.gz ZSPBOZSTCYJGOL-MOPGFXCFSA-N 1 0 381.524 2.896 20 0 GFADRO Cc1nc(CN2CCO[C@H]3CCN(c4cccc(N(C)C)[nH+]4)CC[C@@H]32)cs1 ZINC001164988954 722176228 /nfs/dbraw/zinc/17/62/28/722176228.db2.gz SKGUKDKFOURNGN-ROUUACIJSA-N 1 0 387.553 2.782 20 0 GFADRO C[C@@H]1C(=O)Nc2ncnc(N3CCC[C@@]4(CC[N@@H+]4Cc4cccc(F)c4)C3)c21 ZINC001164995441 722202230 /nfs/dbraw/zinc/20/22/30/722202230.db2.gz NSRDWMSIPORXGN-LHSJRXKWSA-N 1 0 381.455 2.916 20 0 GFADRO NC(=O)c1c(Cl)ncnc1N1CCC[C@]2(CC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001164995194 722202684 /nfs/dbraw/zinc/20/26/84/722202684.db2.gz LLSTUXOZAUACTB-IBGZPJMESA-N 1 0 389.862 2.613 20 0 GFADRO CSc1nc(Cl)cc(N2CCCn3cnc(COCC[NH+](C)C)c3C2)n1 ZINC001164999678 722250597 /nfs/dbraw/zinc/25/05/97/722250597.db2.gz AGXSHOAGOHPFHD-UHFFFAOYSA-N 1 0 396.948 2.537 20 0 GFADRO C[NH+](C)CCOCc1ncn2c1CN(c1ccc(-c3cccs3)nn1)CCC2 ZINC001165002370 722254718 /nfs/dbraw/zinc/25/47/18/722254718.db2.gz OHJVWWRSTUMUDN-UHFFFAOYSA-N 1 0 398.536 2.890 20 0 GFADRO COc1cc(N2CCCn3cnc(COCC[NH+](C)C)c3C2)nc2ccccc21 ZINC001165002174 722255166 /nfs/dbraw/zinc/25/51/66/722255166.db2.gz KVJAUCVESVCKBU-UHFFFAOYSA-N 1 0 395.507 2.928 20 0 GFADRO C[NH+](C)CC1(NS(=O)(=O)c2ccc(Cl)c(Br)c2)CCC1 ZINC000393584468 563529315 /nfs/dbraw/zinc/52/93/15/563529315.db2.gz PWEIIUPOVVYNER-UHFFFAOYSA-N 1 0 381.723 2.865 20 0 GFADRO O=C(Cn1ccc(=O)c2ccccc21)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000359980528 212130451 /nfs/dbraw/zinc/13/04/51/212130451.db2.gz ZZHTUIBBPCYTGS-UHFFFAOYSA-N 1 0 393.462 2.921 20 0 GFADRO COc1cc(Cl)c(C[NH2+]C[C@H]2CCC[C@@]23NC(=O)N(C)C3=O)cc1Cl ZINC000359979989 212128651 /nfs/dbraw/zinc/12/86/51/212128651.db2.gz WFEWOXOZCYWSMN-PIGZYNQJSA-N 1 0 386.279 2.812 20 0 GFADRO C[NH+]1CCN(c2ccc(NC(=O)C3=NN(c4ccccc4)C(=O)CC3)cc2)CC1 ZINC000005172714 212117827 /nfs/dbraw/zinc/11/78/27/212117827.db2.gz KYXYGRLOXUFJTO-UHFFFAOYSA-N 1 0 391.475 2.560 20 0 GFADRO C[C@@H]1C[C@@H](C)N(C(=O)c2ccc(F)cc2I)C[C@@H]1C[NH3+] ZINC000397336175 563531822 /nfs/dbraw/zinc/53/18/22/563531822.db2.gz BTHQNBMRTYOIAY-MXWKQRLJSA-N 1 0 390.240 2.876 20 0 GFADRO CC(=O)NC[C@H]1CCC[N@H+](CC(=O)N(Cc2cccc(F)c2)C(C)(C)C)C1 ZINC000067412995 222146193 /nfs/dbraw/zinc/14/61/93/222146193.db2.gz WHQRLRQXKHAYSJ-GOSISDBHSA-N 1 0 377.504 2.801 20 0 GFADRO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)c1cnn(-c2ccc(Br)cc2)c1 ZINC000072012771 222204865 /nfs/dbraw/zinc/20/48/65/222204865.db2.gz SAGYBMSHCKXAPM-CYBMUJFWSA-N 1 0 389.297 2.849 20 0 GFADRO O=C(N[C@H]1CS(=O)(=O)Cc2ccccc21)c1ccc(C[NH+]2CCCC2)cc1 ZINC000077978228 222296063 /nfs/dbraw/zinc/29/60/63/222296063.db2.gz PGJBSNBWUITRGS-FQEVSTJZSA-N 1 0 384.501 2.682 20 0 GFADRO Cc1cc(S(=O)(=O)N2CCC[C@@H](C)[C@@H]2CC[NH3+])sc1Br ZINC000405257947 563538769 /nfs/dbraw/zinc/53/87/69/563538769.db2.gz LTNPDHKJOCBQET-KOLCDFICSA-N 1 0 381.361 2.957 20 0 GFADRO CC[C@H]([NH2+][C@H](C)c1ccc(Br)c(S(N)(=O)=O)c1)[C@@H]1CCCO1 ZINC000430695014 563547267 /nfs/dbraw/zinc/54/72/67/563547267.db2.gz LYTSJJJRWXYFIL-SWHYSGLUSA-N 1 0 391.331 2.705 20 0 GFADRO C[C@H]1C[NH+](CCCNC(=O)COc2ccc(Cl)cc2Cl)C[C@H](C)O1 ZINC000042120067 551137925 /nfs/dbraw/zinc/13/79/25/551137925.db2.gz RYQQZDXSERVGFN-STQMWFEESA-N 1 0 375.296 2.988 20 0 GFADRO COc1cc(Br)c(C[NH2+]C[C@H](O)COc2ccccc2)cc1OC ZINC000042203281 551138645 /nfs/dbraw/zinc/13/86/45/551138645.db2.gz VMCDDPJIQMBKNO-AWEZNQCLSA-N 1 0 396.281 2.996 20 0 GFADRO CCN1CC[NH+](CCCCNC(=O)c2cc(F)ccc2Br)CC1 ZINC000042594853 551139462 /nfs/dbraw/zinc/13/94/62/551139462.db2.gz MCAIZKYAZTWADY-UHFFFAOYSA-N 1 0 386.309 2.736 20 0 GFADRO C[NH+]1CCC(NC(=O)Nc2cc(Br)ccc2N2CCOCC2)CC1 ZINC000047805745 551153843 /nfs/dbraw/zinc/15/38/43/551153843.db2.gz YYQHLNOVUBOMFQ-UHFFFAOYSA-N 1 0 397.317 2.501 20 0 GFADRO C[C@H](NC(=O)NCCCC[NH+]1CCOCC1)c1ccc(Br)cc1 ZINC000047909175 551153986 /nfs/dbraw/zinc/15/39/86/551153986.db2.gz QCRMVEYDKAZAKT-AWEZNQCLSA-N 1 0 384.318 2.922 20 0 GFADRO O=S(=O)(c1ccc(Br)s1)N1CCC([NH+]2CCCC2)CC1 ZINC000048440239 551156457 /nfs/dbraw/zinc/15/64/57/551156457.db2.gz BZJXMRBSPOWYJF-UHFFFAOYSA-N 1 0 379.345 2.760 20 0 GFADRO C[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(Cl)ccc1I ZINC000049095840 551158001 /nfs/dbraw/zinc/15/80/01/551158001.db2.gz MNOCXRMJSBIBOK-SNVBAGLBSA-N 1 0 378.641 2.769 20 0 GFADRO CC(C)C[NH+]1CCN(CC(=O)N[C@@H](C)c2ccc(Br)cc2)CC1 ZINC000049970175 551160262 /nfs/dbraw/zinc/16/02/62/551160262.db2.gz VYLWLUNLMARYGS-HNNXBMFYSA-N 1 0 382.346 2.900 20 0 GFADRO Cc1noc(C2CC[NH+](C[C@@H](O)COc3ccc(Br)cc3)CC2)n1 ZINC000053640529 551167110 /nfs/dbraw/zinc/16/71/10/551167110.db2.gz YPQOAURGHJMXRP-OAHLLOKOSA-N 1 0 396.285 2.760 20 0 GFADRO C[C@@H](NC(=O)NC1CC[NH+](C)CC1)c1cc2c(cc1Br)OCCO2 ZINC000056991547 551179188 /nfs/dbraw/zinc/17/91/88/551179188.db2.gz OSQQALKYWRWTIS-LLVKDONJSA-N 1 0 398.301 2.675 20 0 GFADRO CCCCn1c2ccc(S(=O)(=O)N(C)C)cc2nc1SCC[NH+](C)C ZINC000057653364 551181447 /nfs/dbraw/zinc/18/14/47/551181447.db2.gz JBSRSZQDWXLJQU-UHFFFAOYSA-N 1 0 384.571 2.740 20 0 GFADRO C[C@@H]1CCC[N@H+](CCCCNC(=O)CS(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000058296206 551183111 /nfs/dbraw/zinc/18/31/11/551183111.db2.gz DHBOLXGPUZRERH-OAHLLOKOSA-N 1 0 386.945 2.742 20 0 GFADRO CC[N@@H+]1CCC[C@@H](CNC(=O)c2cc(OC)c(Br)c(OC)c2)C1 ZINC000063852545 551184324 /nfs/dbraw/zinc/18/43/24/551184324.db2.gz OKMANVPIINKSOH-LBPRGKRZSA-N 1 0 385.302 2.928 20 0 GFADRO C[C@@H](CNC(=O)c1cccn1-c1cccc(I)c1)[NH+](C)C ZINC000064032842 551184923 /nfs/dbraw/zinc/18/49/23/551184923.db2.gz JSVMLVUGYJRRBI-LBPRGKRZSA-N 1 0 397.260 2.762 20 0 GFADRO Cn1cc(C[N@H+](C)C[C@H](O)COc2ccc(Cl)cc2Br)cn1 ZINC000066411449 551187387 /nfs/dbraw/zinc/18/73/87/551187387.db2.gz JWLCJMIJIROILE-ZDUSSCGKSA-N 1 0 388.693 2.708 20 0 GFADRO CC1CC[NH+](C[C@H](O)CNC(=O)Nc2ccc(Br)cc2F)CC1 ZINC000067487507 551189292 /nfs/dbraw/zinc/18/92/92/551189292.db2.gz GSAGFWYZKOXLHT-CYBMUJFWSA-N 1 0 388.281 2.803 20 0 GFADRO C[C@@H](CC[NH+](C)C)NC(=O)NC[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000068591462 551192611 /nfs/dbraw/zinc/19/26/11/551192611.db2.gz MICAUUKMNGIBLN-LSDHHAIUSA-N 1 0 397.361 2.915 20 0 GFADRO Cc1cc(Br)c(S(=O)(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)s1 ZINC000440831560 563751130 /nfs/dbraw/zinc/75/11/30/563751130.db2.gz GSMZLZWSAMTEHZ-CYBMUJFWSA-N 1 0 393.372 2.972 20 0 GFADRO C[C@H]1SCCN(CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)[C@H]1C ZINC000112645189 551206671 /nfs/dbraw/zinc/20/66/71/551206671.db2.gz CZQKMANRVFHAKB-JKSUJKDBSA-N 1 0 379.595 3.000 20 0 GFADRO CCCC[N@H+](C)CCNC(=O)c1cc(=O)c2cc(Br)ccc2[nH]1 ZINC000112639024 551206756 /nfs/dbraw/zinc/20/67/56/551206756.db2.gz ZDVIEZNWLZYXLQ-UHFFFAOYSA-N 1 0 380.286 2.752 20 0 GFADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccnc(SCC(F)(F)F)c1 ZINC000112635676 551206804 /nfs/dbraw/zinc/20/68/04/551206804.db2.gz HALLWPPZLIHZBR-CYBMUJFWSA-N 1 0 377.432 2.577 20 0 GFADRO COCCN(CC[NH+](C)C)C(=O)NCC1(c2cccc(Br)c2)CC1 ZINC000115836923 551209935 /nfs/dbraw/zinc/20/99/35/551209935.db2.gz MKFKOOMLQSBJBL-UHFFFAOYSA-N 1 0 398.345 2.700 20 0 GFADRO O=C(c1cc(I)c[nH]1)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000119138206 551215189 /nfs/dbraw/zinc/21/51/89/551215189.db2.gz CZODJVBWMURTIR-IAQYHMDHSA-N 1 0 399.276 2.708 20 0 GFADRO Cc1cccc(NC(=O)C(=O)NCCC[NH+]2CCC(C)CC2)c1Br ZINC000120914196 551222667 /nfs/dbraw/zinc/22/26/67/551222667.db2.gz YCZJPAFEIXFXCS-UHFFFAOYSA-N 1 0 396.329 2.934 20 0 GFADRO Cc1cccc(NC(=O)C(=O)NC[C@@H](C(C)C)[NH+]2CCCC2)c1Br ZINC000120970903 551223851 /nfs/dbraw/zinc/22/38/51/551223851.db2.gz BSWSQUXYLAJZMR-HNNXBMFYSA-N 1 0 396.329 2.933 20 0 GFADRO CCCC[N@H+](C[C@@H](O)COCc1ccccc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000121055312 551226110 /nfs/dbraw/zinc/22/61/10/551226110.db2.gz GYOSJEWOBOWNJR-IAGOWNOFSA-N 1 0 389.945 2.507 20 0 GFADRO COC(=O)CCN1CCN(C(=O)Nc2cccc(Br)c2)[C@@H](C)C1 ZINC000121177459 551228693 /nfs/dbraw/zinc/22/86/93/551228693.db2.gz WOOCLGNNDOFZSE-LBPRGKRZSA-N 1 0 384.274 2.550 20 0 GFADRO O=C(CSCC(F)(F)F)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000121477273 551235309 /nfs/dbraw/zinc/23/53/09/551235309.db2.gz KRTCUXDRYSAHSN-UHFFFAOYSA-N 1 0 375.460 2.610 20 0 GFADRO COc1ccc(Br)cc1C[NH2+][C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000121540780 551236822 /nfs/dbraw/zinc/23/68/22/551236822.db2.gz FTUMGQFGOMZFMU-NSHDSACASA-N 1 0 399.310 2.956 20 0 GFADRO C[C@@H]1C[C@@H](N(C)CC(=O)N(C)Cc2cc(Br)cs2)CC[N@@H+]1C ZINC000123369048 551305890 /nfs/dbraw/zinc/30/58/90/551305890.db2.gz FXLIVXJXGYXPJA-OCCSQVGLSA-N 1 0 388.375 2.884 20 0 GFADRO O=C(C[N@H+](C[C@H]1CCCO1)[C@@H]1CCSC1)NCCc1ccc(Cl)cc1 ZINC000123673387 551308451 /nfs/dbraw/zinc/30/84/51/551308451.db2.gz JJCIBPNMJOFSOS-QZTJIDSGSA-N 1 0 382.957 2.985 20 0 GFADRO [NH3+]C[C@H](NS(=O)(=O)Cc1ccc(Br)cc1)C1CCCCC1 ZINC000124239598 551312483 /nfs/dbraw/zinc/31/24/83/551312483.db2.gz RVVHLPKYUACZGZ-HNNXBMFYSA-N 1 0 375.332 2.776 20 0 GFADRO Cn1cc(Br)cc1C(=O)NCc1ccccc1OCC[NH+](C)C ZINC000124308973 551313452 /nfs/dbraw/zinc/31/34/52/551313452.db2.gz KJOHLPYBLKCFQB-UHFFFAOYSA-N 1 0 380.286 2.658 20 0 GFADRO CC1(C)CC(NC(=O)c2cnn3cc(Br)cnc23)CC(C)(C)[NH2+]1 ZINC000124393074 551313719 /nfs/dbraw/zinc/31/37/19/551313719.db2.gz LYOPODFSERAFCF-UHFFFAOYSA-N 1 0 380.290 2.531 20 0 GFADRO O=S1(=O)CCC[C@H]([NH2+]Cc2ccc(Br)c(Br)c2)C1 ZINC000124568254 551315668 /nfs/dbraw/zinc/31/56/68/551315668.db2.gz MWPWTTZFWFGYAQ-JTQLQIEISA-N 1 0 397.132 2.878 20 0 GFADRO [NH3+]C[C@H]1CCCN1S(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000124747448 551317479 /nfs/dbraw/zinc/31/74/79/551317479.db2.gz BFNOGZAAGQUECU-SNVBAGLBSA-N 1 0 376.322 2.836 20 0 GFADRO C[C@@H](CNC(=O)c1cc2c(cccc2Br)[nH]1)C[NH+]1CCN(C)CC1 ZINC000124825655 551318018 /nfs/dbraw/zinc/31/80/18/551318018.db2.gz CWUZQFPABLOCAP-ZDUSSCGKSA-N 1 0 393.329 2.544 20 0 GFADRO C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@H](C(N)=O)c1ccccc1 ZINC000125955141 551324827 /nfs/dbraw/zinc/32/48/27/551324827.db2.gz NVVLDKYHSLMFDJ-SJCJKPOMSA-N 1 0 390.281 2.982 20 0 GFADRO CC(C)(C)NC(=O)CNC(=O)CN1CCC[C@@H]1c1ccccc1Br ZINC000126002170 551325258 /nfs/dbraw/zinc/32/52/58/551325258.db2.gz GOFGMXIIAQZEFZ-OAHLLOKOSA-N 1 0 396.329 2.617 20 0 GFADRO CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)Nc1cc(Br)ccc1F ZINC000126447708 551330476 /nfs/dbraw/zinc/33/04/76/551330476.db2.gz PRNSIUONOQVZAF-LBPRGKRZSA-N 1 0 386.265 2.517 20 0 GFADRO C[C@@H](CCS(C)(=O)=O)[NH2+][C@@H](C)CC(=O)Nc1cccc(Br)c1 ZINC000127133359 551337385 /nfs/dbraw/zinc/33/73/85/551337385.db2.gz ISUVYIRCUZKJQR-RYUDHWBXSA-N 1 0 391.331 2.579 20 0 GFADRO C[C@H]([NH2+]CCc1ccc(S(=O)(=O)N2CCCCC2)s1)c1cnn(C)c1 ZINC000127170604 551337809 /nfs/dbraw/zinc/33/78/09/551337809.db2.gz UBDMYGJFQBIPRL-AWEZNQCLSA-N 1 0 382.555 2.550 20 0 GFADRO COc1ccc([C@H](C)[NH2+]C[C@@H](O)COC2CCOCC2)cc1Br ZINC000127252624 551338802 /nfs/dbraw/zinc/33/88/02/551338802.db2.gz GSHXYJAEVZJBEL-GXTWGEPZSA-N 1 0 388.302 2.665 20 0 GFADRO CC[C@@H]([NH2+]CCc1ccc(S(=O)(=O)N2CCCCC2)s1)[C@@H]1CCOC1 ZINC000127258140 551338820 /nfs/dbraw/zinc/33/88/20/551338820.db2.gz RCXGGIRATJAYAV-NVXWUHKLSA-N 1 0 386.583 2.870 20 0 GFADRO CCN(CCC[NH2+][C@@H]1CCc2c1cc(Br)cc2F)S(C)(=O)=O ZINC000128285726 551348754 /nfs/dbraw/zinc/34/87/54/551348754.db2.gz AARFJQYWIPSPBY-OAHLLOKOSA-N 1 0 393.322 2.837 20 0 GFADRO CC(C)[C@H]([NH3+])CCN(C)CCS(=O)(=O)c1ccc(Br)cc1 ZINC000128498400 551349283 /nfs/dbraw/zinc/34/92/83/551349283.db2.gz BMIAAHZTWVOHMN-OAHLLOKOSA-N 1 0 377.348 2.528 20 0 GFADRO C[N@H+](CCNC(=O)Cc1ccccc1I)C1CCCC1 ZINC000129407829 551357510 /nfs/dbraw/zinc/35/75/10/551357510.db2.gz XIPVIEYXXIMSOT-UHFFFAOYSA-N 1 0 386.277 2.824 20 0 GFADRO NS(=O)(=O)c1ccc(CC[NH2+]Cc2ccc(F)cc2C(F)(F)F)cc1 ZINC000129442728 551358018 /nfs/dbraw/zinc/35/80/18/551358018.db2.gz PAFWVPSKRCQBGJ-UHFFFAOYSA-N 1 0 376.375 2.824 20 0 GFADRO CC[NH+]1CCN(CC(=O)NCc2cc(Cl)cc(Cl)c2OC(F)F)CC1 ZINC000130040896 551361091 /nfs/dbraw/zinc/36/10/91/551361091.db2.gz MQOLCENMQSCRQX-UHFFFAOYSA-N 1 0 396.265 2.849 20 0 GFADRO COc1ccc(CC[NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)cc1S(N)(=O)=O ZINC000130321540 551363276 /nfs/dbraw/zinc/36/32/76/551363276.db2.gz MWBKDZBKZWGSKR-STQMWFEESA-N 1 0 380.432 2.596 20 0 GFADRO C[C@@H](NC(=O)Cc1cccc(I)c1)C(C)(C)C[NH+](C)C ZINC000130403308 551364133 /nfs/dbraw/zinc/36/41/33/551364133.db2.gz CMBFGPPWAGOBTO-GFCCVEGCSA-N 1 0 388.293 2.926 20 0 GFADRO CCC(=O)N[C@H]1CCCN(CC(=O)N(C)Cc2cc(Cl)cc(Cl)c2)C1 ZINC000130402642 551364296 /nfs/dbraw/zinc/36/42/96/551364296.db2.gz SMUSLBRTKHVMNY-INIZCTEOSA-N 1 0 386.323 2.942 20 0 GFADRO O=C(NC[C@H]1CCCC[NH2+]1)c1nn(-c2ccc(F)cc2)cc1Br ZINC000130680583 551368547 /nfs/dbraw/zinc/36/85/47/551368547.db2.gz ODNBQLAZVIVHHT-GFCCVEGCSA-N 1 0 381.249 2.646 20 0 GFADRO NC(=O)[C@H]1CCCC[C@H]1[NH2+]Cc1cc2c(cc1Br)OCCCO2 ZINC000131079850 551372085 /nfs/dbraw/zinc/37/20/85/551372085.db2.gz LSXLZSCDZHTJHW-GXTWGEPZSA-N 1 0 383.286 2.744 20 0 GFADRO C[NH+](C)CCOc1cccc(CNS(=O)(=O)c2c(F)cccc2Cl)c1 ZINC000131279880 551374042 /nfs/dbraw/zinc/37/40/42/551374042.db2.gz PKZUFSNZNLSJPL-UHFFFAOYSA-N 1 0 386.876 2.898 20 0 GFADRO CCC(CC)[C@H](C[NH2+][C@@H](C)Cn1cc(Br)cn1)N1CCOCC1 ZINC000131789724 551375847 /nfs/dbraw/zinc/37/58/47/551375847.db2.gz QFCJYVKNSMMRLJ-YOEHRIQHSA-N 1 0 387.366 2.761 20 0 GFADRO O=C([C@H]1COc2ccc(Br)cc21)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000135481769 551387887 /nfs/dbraw/zinc/38/78/87/551387887.db2.gz ATDVIVGRIHXFOM-BBRMVZONSA-N 1 0 379.298 2.869 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)C[NH+]1CCC(C)CC1 ZINC000135651833 551388517 /nfs/dbraw/zinc/38/85/17/551388517.db2.gz SDZPWDWLGXECGE-UHFFFAOYSA-N 1 0 396.329 2.934 20 0 GFADRO C[C@H]1CCC[N@H+](CCCCNC(=O)Nc2cc(Br)c(=O)n(C)c2)C1 ZINC000136666712 551389916 /nfs/dbraw/zinc/38/99/16/551389916.db2.gz UGEVWSOYBRYLDR-ZDUSSCGKSA-N 1 0 399.333 2.781 20 0 GFADRO COc1ccc(C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)cc1Br ZINC000136970904 551390370 /nfs/dbraw/zinc/39/03/70/551390370.db2.gz GTKSVCXPASVEII-ZDUSSCGKSA-N 1 0 397.313 2.688 20 0 GFADRO O=C(NCCC[NH+]1CCCC1)NC[C@H](O)COc1cccc(Cl)c1Cl ZINC000138363843 551391413 /nfs/dbraw/zinc/39/14/13/551391413.db2.gz AYCDHYVUONYQCQ-ZDUSSCGKSA-N 1 0 390.311 2.518 20 0 GFADRO C[NH+](C)C1(CNC(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CC2)CCCC1 ZINC000139412263 551392118 /nfs/dbraw/zinc/39/21/18/551392118.db2.gz JTKLJQHLZSYCRP-UHFFFAOYSA-N 1 0 384.929 2.637 20 0 GFADRO CCc1nc(NC(=O)CN2CC[NH+](CCc3cccs3)CC2)sc1C ZINC000141534561 551394221 /nfs/dbraw/zinc/39/42/21/551394221.db2.gz RDWSTLJRQKUNEQ-UHFFFAOYSA-N 1 0 378.567 2.874 20 0 GFADRO CC(C)C[NH+]1CCC(NC(=O)c2ccc(Cl)c(NS(C)(=O)=O)c2)CC1 ZINC000141414742 551394323 /nfs/dbraw/zinc/39/43/23/551394323.db2.gz XLEPVJLYZZLMKF-UHFFFAOYSA-N 1 0 387.933 2.562 20 0 GFADRO COCCNC(=O)[C@H]1CC[C@H](C)[N@H+](Cc2cc(Br)ccc2OC)C1 ZINC000144265500 551396073 /nfs/dbraw/zinc/39/60/73/551396073.db2.gz SMSDFWXDEHMQSV-KBPBESRZSA-N 1 0 399.329 2.821 20 0 GFADRO Cc1ccc(I)cc1C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000151147616 551407931 /nfs/dbraw/zinc/40/79/31/551407931.db2.gz MWOYDNPRUTYJHU-UHFFFAOYSA-N 1 0 398.248 2.610 20 0 GFADRO COc1ccc(COC[C@@H](O)C[N@H+](C)Cc2cc(Br)cn2C)cc1 ZINC000151473376 551414431 /nfs/dbraw/zinc/41/44/31/551414431.db2.gz WLGSSLNNCCFSHZ-KRWDZBQOSA-N 1 0 397.313 2.806 20 0 GFADRO C[C@H](Sc1nnnn1CC[NH+](C)C)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000151664400 551418898 /nfs/dbraw/zinc/41/88/98/551418898.db2.gz BZOJJJWHRUQUAV-VIFPVBQESA-N 1 0 389.312 2.661 20 0 GFADRO CC(C)Oc1ccc(Br)cc1NC(=O)NC[C@@H]1CN(C)CCO1 ZINC000151730006 551419827 /nfs/dbraw/zinc/41/98/27/551419827.db2.gz PMSHLTQRAWCBPC-CYBMUJFWSA-N 1 0 386.290 2.688 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000151870078 551422560 /nfs/dbraw/zinc/42/25/60/551422560.db2.gz YDNSKFIHXJWAFG-TZMCWYRMSA-N 1 0 394.313 2.746 20 0 GFADRO C[C@H](CNC(=O)c1ccc(F)c(I)c1)[N@H+](C)C1CC1 ZINC000152042953 551425202 /nfs/dbraw/zinc/42/52/02/551425202.db2.gz BGNYOFABFSSHSU-SECBINFHSA-N 1 0 376.213 2.643 20 0 GFADRO Cc1ccc([C@H](C)[NH2+]Cc2ccc(S(=O)(=O)N3CCOCC3)s2)s1 ZINC000152135426 551426714 /nfs/dbraw/zinc/42/67/14/551426714.db2.gz MSKJAFOJCDEQFG-ZDUSSCGKSA-N 1 0 386.564 2.990 20 0 GFADRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+]CCc2nc(C(F)(F)F)cs2)cc1 ZINC000152244740 551428877 /nfs/dbraw/zinc/42/88/77/551428877.db2.gz NHNXZTBVHGBCEA-JTQLQIEISA-N 1 0 393.456 2.963 20 0 GFADRO CN(C(=O)c1cn(-c2ccc(Br)cc2)cn1)[C@@H]1CCC[N@H+](C)C1 ZINC000153413691 551452036 /nfs/dbraw/zinc/45/20/36/551452036.db2.gz ODKWNGLZJGVAAI-OAHLLOKOSA-N 1 0 377.286 2.801 20 0 GFADRO C[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(F)c(I)c2)C1 ZINC000153469085 551453346 /nfs/dbraw/zinc/45/33/46/551453346.db2.gz CUEAWNIXDAFNMA-JTQLQIEISA-N 1 0 376.213 2.502 20 0 GFADRO C[C@@H]1CN(C(=O)c2ccc(I)cc2Cl)C[C@@H](C)[NH2+]1 ZINC000153553437 551455343 /nfs/dbraw/zinc/45/53/43/551455343.db2.gz NTCRNKVPLALZNU-RKDXNWHRSA-N 1 0 378.641 2.767 20 0 GFADRO CCC[C@@H]1CN(C(=O)c2cc(Br)ccc2O)CC[N@@H+]1CCOC ZINC000153693740 551458569 /nfs/dbraw/zinc/45/85/69/551458569.db2.gz WWNKSUGZVBTJEN-CQSZACIVSA-N 1 0 385.302 2.728 20 0 GFADRO C[C@H]1CN(C(=O)C2(c3ccc(Br)cc3)CCOCC2)C[C@H](C)[NH2+]1 ZINC000154142736 551468471 /nfs/dbraw/zinc/46/84/71/551468471.db2.gz ZERLIAPFSVUBTO-KBPBESRZSA-N 1 0 381.314 2.706 20 0 GFADRO CC(C)[N@H+](C)CC(=O)N1CCC(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000154206998 551469642 /nfs/dbraw/zinc/46/96/42/551469642.db2.gz ZVWVLFPWHMNYTB-UHFFFAOYSA-N 1 0 396.329 2.966 20 0 GFADRO Cc1ccc(Br)c(NC(=O)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)c1 ZINC000154469426 551476091 /nfs/dbraw/zinc/47/60/91/551476091.db2.gz YDCAIRGNGKSHRF-GFCCVEGCSA-N 1 0 384.318 2.789 20 0 GFADRO COc1ccc(C[N@@H+]2CCCN(C(=O)C[C@@H]3CSCCS3)CC2)cc1 ZINC000154941800 551486057 /nfs/dbraw/zinc/48/60/57/551486057.db2.gz MVPLRJPZBWOAJF-GOSISDBHSA-N 1 0 380.579 2.968 20 0 GFADRO O=C(CC[NH+]1CCC(OCCCO)CC1)Nc1ccccc1Br ZINC000154957014 551486733 /nfs/dbraw/zinc/48/67/33/551486733.db2.gz NVHALILDDFBLCI-UHFFFAOYSA-N 1 0 385.302 2.641 20 0 GFADRO CC(C)[NH+]1CCC(NC(=O)c2cc(=O)[nH]c3ccc(Br)cc32)CC1 ZINC000155064205 551490244 /nfs/dbraw/zinc/49/02/44/551490244.db2.gz WRIBGNXQUXSIKU-UHFFFAOYSA-N 1 0 392.297 2.893 20 0 GFADRO O=C(Nc1ccccc1Br)C1CCN(C(=O)[C@@H]2CCCC[NH2+]2)CC1 ZINC000155123584 551492191 /nfs/dbraw/zinc/49/21/91/551492191.db2.gz AHKQBSPEUNITPW-INIZCTEOSA-N 1 0 394.313 2.768 20 0 GFADRO CC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2cc(Br)sc2C)C1 ZINC000155361752 551498556 /nfs/dbraw/zinc/49/85/56/551498556.db2.gz YKSCGYXZVJUTFQ-NSHDSACASA-N 1 0 381.361 2.781 20 0 GFADRO COC(=O)C[C@@H]1CSCC[N@@H+]1C[C@H](O)Cc1ccccc1C(F)(F)F ZINC000155685616 551505871 /nfs/dbraw/zinc/50/58/71/551505871.db2.gz XLWBBHFMKCJLMI-ZIAGYGMSSA-N 1 0 377.428 2.589 20 0 GFADRO C[C@@H](C(=O)Nc1ccc(Br)cc1)[NH+]1CCC(Cn2ccnn2)CC1 ZINC000155762863 551507131 /nfs/dbraw/zinc/50/71/31/551507131.db2.gz OKERAHBEJKIDQI-ZDUSSCGKSA-N 1 0 392.301 2.780 20 0 GFADRO Brc1cc2c(c(C[NH2+][C@H]3CCCN(c4cccnn4)C3)c1)OCC2 ZINC000155827603 551508487 /nfs/dbraw/zinc/50/84/87/551508487.db2.gz ZLPQBLJCBRZZBZ-INIZCTEOSA-N 1 0 389.297 2.933 20 0 GFADRO CC(=O)c1ccc(Br)cc1OCC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000155828923 551508679 /nfs/dbraw/zinc/50/86/79/551508679.db2.gz ZISAXRQIBFGQLT-UHFFFAOYSA-N 1 0 395.297 2.774 20 0 GFADRO CCC[N@H+](C[C@@H](O)Cc1ccc(C(F)(F)F)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000156129799 551515278 /nfs/dbraw/zinc/51/52/78/551515278.db2.gz AKWFKOBBUNDCCQ-CVEARBPZSA-N 1 0 379.444 2.508 20 0 GFADRO COc1ccsc1S(=O)(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1 ZINC000156524727 551524033 /nfs/dbraw/zinc/52/40/33/551524033.db2.gz QEDLAQUAJYLEEA-UHFFFAOYSA-N 1 0 390.477 2.787 20 0 GFADRO C[NH+](C)[C@H]1CCC[C@H](NS(=O)(=O)c2cc(F)ccc2Br)C1 ZINC000156522069 551524096 /nfs/dbraw/zinc/52/40/96/551524096.db2.gz QZRIURUXRHEZLE-RYUDHWBXSA-N 1 0 379.295 2.739 20 0 GFADRO C[C@@H]([NH2+]C[C@H](O)COc1ccc(I)cc1)c1ccncc1 ZINC000156585542 551525346 /nfs/dbraw/zinc/52/53/46/551525346.db2.gz MHYDZLQPBALEFO-DOMZBBRYSA-N 1 0 398.244 2.777 20 0 GFADRO C[C@H]1CCCN(C(=O)c2cnn(-c3cccc(Br)c3)c2)[C@@H]1C[NH3+] ZINC000156668525 551526709 /nfs/dbraw/zinc/52/67/09/551526709.db2.gz IHEXPGSUPVOUJT-BLLLJJGKSA-N 1 0 377.286 2.834 20 0 GFADRO Cc1cc(C(=O)N[C@H](C)[C@@H]2CN(C)CCO2)c2cc(Br)ccc2n1 ZINC000157687926 551541741 /nfs/dbraw/zinc/54/17/41/551541741.db2.gz LJKUZFWPJJLQGH-PXAZEXFGSA-N 1 0 392.297 2.755 20 0 GFADRO C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+]C[C@@]1(O)CCSC1 ZINC000158267314 551549533 /nfs/dbraw/zinc/54/95/33/551549533.db2.gz YKGUQGFUSIUNNS-ABAIWWIYSA-N 1 0 378.416 2.760 20 0 GFADRO O=C(c1ccc(I)cc1Cl)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000158344259 551550431 /nfs/dbraw/zinc/55/04/31/551550431.db2.gz GMIFPRPCFLBHSE-AWEZNQCLSA-N 1 0 390.652 2.770 20 0 GFADRO C[C@@H](CNC(=O)c1cc(=O)[nH]c2ccc(Br)cc21)[N@H+](C)C1CC1 ZINC000158584572 551553792 /nfs/dbraw/zinc/55/37/92/551553792.db2.gz XPHFSCSTBRMBMF-JTQLQIEISA-N 1 0 378.270 2.503 20 0 GFADRO O=C(CSc1nnc(Cc2cccs2)o1)NC1CC[NH+](C2CC2)CC1 ZINC000158759439 551556148 /nfs/dbraw/zinc/55/61/48/551556148.db2.gz CLVGCONWVKBNHJ-UHFFFAOYSA-N 1 0 378.523 2.557 20 0 GFADRO C[C@H]1CCN(C(=O)Nc2ccc(F)cc2I)C[C@H]1C[NH3+] ZINC000415251355 563764201 /nfs/dbraw/zinc/76/42/01/563764201.db2.gz MVGYTMSMEISFDU-VHSXEESVSA-N 1 0 391.228 2.879 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCN(CCN2CCOCC2)C1)c1cc(Br)cs1 ZINC000364802533 563764468 /nfs/dbraw/zinc/76/44/68/563764468.db2.gz FOBBUQPGJGVWBT-DZGCQCFKSA-N 1 0 388.375 2.568 20 0 GFADRO O=C(NC[C@@H]1CCC[NH2+]C1)c1cc(Br)ccc1Br ZINC000160930215 551587932 /nfs/dbraw/zinc/58/79/32/551587932.db2.gz MTEUISCGGBHWIL-SECBINFHSA-N 1 0 376.092 2.941 20 0 GFADRO COc1ccc(OC)c(CC[NH2+][C@@H](C(N)=O)c2cccc(Br)c2)c1 ZINC000161984691 551601582 /nfs/dbraw/zinc/60/15/82/551601582.db2.gz NNZQBTKNSXNZOI-QGZVFWFLSA-N 1 0 393.281 2.825 20 0 GFADRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)[C@@H]1CCN(c2ccccc2Br)C1=O ZINC000162084557 551602905 /nfs/dbraw/zinc/60/29/05/551602905.db2.gz RLIXUEUYQCVGHE-ZFWWWQNUSA-N 1 0 396.329 2.634 20 0 GFADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NS(=O)(=O)Cc1ccc(Cl)nc1 ZINC000162334100 551607217 /nfs/dbraw/zinc/60/72/17/551607217.db2.gz IXLGOUJUCNJYCI-PBHICJAKSA-N 1 0 379.913 2.675 20 0 GFADRO CC(C)CN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(F)c(Br)c1 ZINC000162772085 551612757 /nfs/dbraw/zinc/61/27/57/551612757.db2.gz PJLVTZROKPFGKB-UHFFFAOYSA-N 1 0 388.281 2.573 20 0 GFADRO C[NH+](C)CCN(C(=O)C(=O)Nc1cccc(Br)c1)C1CCCC1 ZINC000162897999 551614268 /nfs/dbraw/zinc/61/42/68/551614268.db2.gz JGVKANXCRDULKP-UHFFFAOYSA-N 1 0 382.302 2.720 20 0 GFADRO C[C@H]([NH2+]Cc1nnnn1-c1ccc(Cl)cc1C(F)(F)F)[C@@H]1CCOC1 ZINC000163067729 551615711 /nfs/dbraw/zinc/61/57/11/551615711.db2.gz KUTLIKYCWSXEFF-VHSXEESVSA-N 1 0 375.782 2.849 20 0 GFADRO C[C@H](NC(=O)C[C@H]1CCC[NH2+]1)c1nc(-c2ccc(Br)cc2)no1 ZINC000163134648 551616928 /nfs/dbraw/zinc/61/69/28/551616928.db2.gz YLUZOIAGZIRIGD-GXFFZTMASA-N 1 0 379.258 2.818 20 0 GFADRO [NH3+][C@@H]1CCC[C@H]1C(=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000163487423 551620199 /nfs/dbraw/zinc/62/01/99/551620199.db2.gz LIPCIUHZAUFCKI-DGCLKSJQSA-N 1 0 376.810 2.530 20 0 GFADRO O=C(NCCn1ccnc1)Nc1cnn(-c2ccccc2Br)c1 ZINC000165067478 551628512 /nfs/dbraw/zinc/62/85/12/551628512.db2.gz AGJJSVGAJCNYBP-UHFFFAOYSA-N 1 0 375.230 2.653 20 0 GFADRO CC[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000167616384 551633573 /nfs/dbraw/zinc/63/35/73/551633573.db2.gz CKILZNSYJOSGPT-IRXDYDNUSA-N 1 0 380.330 2.796 20 0 GFADRO O=C(CC[NH+]1CCN(c2cccnn2)CC1)Nc1cc(Cl)ccc1Cl ZINC000170649645 551636932 /nfs/dbraw/zinc/63/69/32/551636932.db2.gz YUXNWLDYQVVDKI-UHFFFAOYSA-N 1 0 380.279 2.934 20 0 GFADRO NC(=O)CC[C@@H]1CCCN(CC(=O)Nc2nc(-c3cccs3)cs2)C1 ZINC000170732198 551638061 /nfs/dbraw/zinc/63/80/61/551638061.db2.gz XUWQNMBCONGSMB-LBPRGKRZSA-N 1 0 378.523 2.788 20 0 GFADRO CCOCC[NH+]1CCN(Cc2cc(OC)c(OC)cc2Br)CC1 ZINC000170938873 551643388 /nfs/dbraw/zinc/64/33/88/551643388.db2.gz ARWCHIUOSCCUCC-UHFFFAOYSA-N 1 0 387.318 2.620 20 0 GFADRO COc1cccc([C@@H](CNC(=O)c2ccc(Br)cn2)[NH+](C)C)c1 ZINC000171129742 551647680 /nfs/dbraw/zinc/64/76/80/551647680.db2.gz JPNVMZGYCHVTKI-MRXNPFEDSA-N 1 0 378.270 2.885 20 0 GFADRO COCCC[NH+]1CCC(NC(=O)N(C)Cc2ccc(Br)o2)CC1 ZINC000171208476 551649597 /nfs/dbraw/zinc/64/95/97/551649597.db2.gz ADFPXZMOKPPLPA-UHFFFAOYSA-N 1 0 388.306 2.684 20 0 GFADRO C[C@@H]1C[NH+](CC2CCN(C(=O)c3cc(Br)cn3C)CC2)C[C@@H](C)O1 ZINC000171283395 551651863 /nfs/dbraw/zinc/65/18/63/551651863.db2.gz NGZUOFXAFXQMDA-ZIAGYGMSSA-N 1 0 398.345 2.749 20 0 GFADRO CC[NH+]1CCN(CCC(=O)N[C@@H](C)Cc2cccc(Br)c2)CC1 ZINC000171275043 551652198 /nfs/dbraw/zinc/65/21/98/551652198.db2.gz RSGNOCPQYLLPNT-HNNXBMFYSA-N 1 0 382.346 2.524 20 0 GFADRO O=C(NCCC[NH+]1CCCC1)c1nn(-c2ccc(F)cc2)cc1Br ZINC000172099776 551670998 /nfs/dbraw/zinc/67/09/98/551670998.db2.gz SUJJFNIXZIXZKV-UHFFFAOYSA-N 1 0 395.276 2.990 20 0 GFADRO C[C@@H](NC(=O)NCC1([NH+](C)C)CCOCC1)c1ccc(Br)cc1 ZINC000172219723 551673555 /nfs/dbraw/zinc/67/35/55/551673555.db2.gz HTEVMLDQMUBGID-CYBMUJFWSA-N 1 0 384.318 2.920 20 0 GFADRO CC(C)[NH+]1CCC(NC(=O)CN2CCc3cccc(Br)c3C2)CC1 ZINC000172405183 551678450 /nfs/dbraw/zinc/67/84/50/551678450.db2.gz QBRIWTMNEOJXKD-UHFFFAOYSA-N 1 0 394.357 2.796 20 0 GFADRO O=C(N[C@H](C[NH+]1CCCC1)c1ccccc1)c1c[nH]c(=O)c(Br)c1 ZINC000173043488 551693087 /nfs/dbraw/zinc/69/30/87/551693087.db2.gz UZCIZJLCXALOSS-MRXNPFEDSA-N 1 0 390.281 2.704 20 0 GFADRO COc1cc(C)c(Br)cc1NC(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000415479602 563778422 /nfs/dbraw/zinc/77/84/22/563778422.db2.gz FYMSVIXZJSRIPR-LBPRGKRZSA-N 1 0 378.217 2.885 20 0 GFADRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)c1c[nH]c(=O)c(Br)c1 ZINC000173115285 552078057 /nfs/dbraw/zinc/07/80/57/552078057.db2.gz HVLMGGWKGRHXOU-UHFFFAOYSA-N 1 0 392.297 2.908 20 0 GFADRO CN(C[C@H]1CCC[N@H+](C)C1)S(=O)(=O)c1ccc(F)c(Br)c1 ZINC000173202374 552079678 /nfs/dbraw/zinc/07/96/78/552079678.db2.gz SMVUVJLHRABRHT-NSHDSACASA-N 1 0 379.295 2.551 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000173451850 552085480 /nfs/dbraw/zinc/08/54/80/552085480.db2.gz OXVYQHXMHOWOSJ-GOOCMWNKSA-N 1 0 394.313 2.828 20 0 GFADRO O=C(CN1CC[C@@H](C[NH+]2CCCCC2)C1)Nc1ccc(Br)cn1 ZINC000173596034 552088623 /nfs/dbraw/zinc/08/86/23/552088623.db2.gz NWQNDROOVOGOFW-AWEZNQCLSA-N 1 0 381.318 2.590 20 0 GFADRO C[C@H](NC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1)c1cc(F)c(Cl)cc1Cl ZINC000173656304 552090270 /nfs/dbraw/zinc/09/02/70/552090270.db2.gz RHKSUCKMWQDDOG-WDEREUQCSA-N 1 0 390.286 2.720 20 0 GFADRO CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2cc(Br)ccc2C)C1 ZINC000173650110 552090553 /nfs/dbraw/zinc/09/05/53/552090553.db2.gz XPTPFJVGZJOTOA-CQSZACIVSA-N 1 0 396.329 2.886 20 0 GFADRO CC(C)n1cc(Br)cc1C(=O)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000173825492 552093138 /nfs/dbraw/zinc/09/31/38/552093138.db2.gz AFECWNPNRQTQFQ-CQSZACIVSA-N 1 0 384.318 2.626 20 0 GFADRO COCCOC[C@@H]1CCN(CCS(=O)(=O)c2cc(Cl)ccc2Cl)C1 ZINC000174103312 552099141 /nfs/dbraw/zinc/09/91/41/552099141.db2.gz PYMJEMHMBBBSEP-CYBMUJFWSA-N 1 0 396.336 2.752 20 0 GFADRO COCCOC[C@@H]1CC[N@H+](Cc2cc(OC)c(OC)cc2Br)C1 ZINC000174120558 552099807 /nfs/dbraw/zinc/09/98/07/552099807.db2.gz NSULSNQXFPSUNU-CYBMUJFWSA-N 1 0 388.302 2.951 20 0 GFADRO CC[C@@H](CO)[NH+]1CCN(CC(=O)N[C@@H](C)c2ccc(Cl)c(Cl)c2)CC1 ZINC000174133916 552099942 /nfs/dbraw/zinc/09/99/42/552099942.db2.gz UEGBPCBTYWQAOF-ZFWWWQNUSA-N 1 0 388.339 2.559 20 0 GFADRO C[C@H](Oc1cc(Cl)cc(Cl)c1)C(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000174177500 552101285 /nfs/dbraw/zinc/10/12/85/552101285.db2.gz PTTSONAUCRJBNT-KBPBESRZSA-N 1 0 387.307 2.941 20 0 GFADRO C[C@@H]1C[C@H](N(C)C(=O)NCCOc2cccc(Br)c2)CC[N@@H+]1C ZINC000174220550 552102241 /nfs/dbraw/zinc/10/22/41/552102241.db2.gz CKFBKBXCBUMADB-UKRRQHHQSA-N 1 0 384.318 2.952 20 0 GFADRO C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000174210415 552102491 /nfs/dbraw/zinc/10/24/91/552102491.db2.gz CVORZKRKOPSRRB-KGLIPLIRSA-N 1 0 387.307 2.941 20 0 GFADRO C[N@@H+]1CCC[C@@H]1CNC(=O)NCCOc1ncc(C(F)(F)F)cc1Cl ZINC000174354935 552102993 /nfs/dbraw/zinc/10/29/93/552102993.db2.gz MVBXGBZNIFSWQL-LLVKDONJSA-N 1 0 380.798 2.526 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)C1CC[NH+](C)CC1 ZINC000174680427 552108854 /nfs/dbraw/zinc/10/88/54/552108854.db2.gz VVTDQYDAPMNGCH-UHFFFAOYSA-N 1 0 382.302 2.544 20 0 GFADRO Cc1ccc(S(=O)(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)c(Br)c1 ZINC000175075944 552115104 /nfs/dbraw/zinc/11/51/04/552115104.db2.gz HLAZSKKMGRXZDW-QWHCGFSZSA-N 1 0 375.332 2.909 20 0 GFADRO COc1ccc(Br)c(S(=O)(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)c1 ZINC000175080346 552115238 /nfs/dbraw/zinc/11/52/38/552115238.db2.gz JEMRUPHAWLMCOQ-NWDGAFQWSA-N 1 0 391.331 2.609 20 0 GFADRO CC[NH+](CC)CCSCC(=O)N[C@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000175114582 552115734 /nfs/dbraw/zinc/11/57/34/552115734.db2.gz TVZTUOWZBQAJTL-INIZCTEOSA-N 1 0 383.945 2.637 20 0 GFADRO O=S(=O)(NCC[N@H+]1CCC[C@H]1C[C@H](O)c1cccs1)c1ccccc1 ZINC000175820983 552129886 /nfs/dbraw/zinc/12/98/86/552129886.db2.gz WSYJBJVRFDGFJD-RDJZCZTQSA-N 1 0 380.535 2.615 20 0 GFADRO COC[C@@](C)(CCO)[NH2+]Cc1cc(Br)c(OC(F)F)c(OC)c1 ZINC000175854889 552130400 /nfs/dbraw/zinc/13/04/00/552130400.db2.gz CIZBVDVVSNYWGJ-OAHLLOKOSA-N 1 0 398.244 2.936 20 0 GFADRO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000175883168 552131587 /nfs/dbraw/zinc/13/15/87/552131587.db2.gz CKYMJVXABXQEJL-DOMZBBRYSA-N 1 0 377.432 2.594 20 0 GFADRO COc1cc(CNC(=O)c2occc2Br)ccc1OCC[NH+](C)C ZINC000175929760 552132540 /nfs/dbraw/zinc/13/25/40/552132540.db2.gz UNHUQSQPPLXTRP-UHFFFAOYSA-N 1 0 397.269 2.921 20 0 GFADRO CCOC[C@@H]1CC[N@H+](CC(=O)Nc2ccc(I)cc2)C1 ZINC000176350016 552139270 /nfs/dbraw/zinc/13/92/70/552139270.db2.gz UYUSGLQMOJQNKW-GFCCVEGCSA-N 1 0 388.249 2.588 20 0 GFADRO COc1cc(I)c(Cl)cc1C(=O)N(C)CC[NH+](C)C ZINC000176808827 552146191 /nfs/dbraw/zinc/14/61/91/552146191.db2.gz CDYVWBPQVATYFW-UHFFFAOYSA-N 1 0 396.656 2.587 20 0 GFADRO C[C@@H](C[NH2+]C1(c2ccc(Br)cc2)CCOCC1)CS(C)(=O)=O ZINC000176969237 552148355 /nfs/dbraw/zinc/14/83/55/552148355.db2.gz OOCNOHAMRGOLCP-ZDUSSCGKSA-N 1 0 390.343 2.725 20 0 GFADRO C[C@H]1C[C@@H](NC(=O)c2ccc(I)c(F)c2)C[N@@H+]1C1CC1 ZINC000177147209 552150683 /nfs/dbraw/zinc/15/06/83/552150683.db2.gz CNIJDBQPVSZOIW-GXSJLCMTSA-N 1 0 388.224 2.785 20 0 GFADRO C[N@H+](Cc1cc(Cl)ccc1OC(F)F)C1CCN(S(C)(=O)=O)CC1 ZINC000177443755 552154551 /nfs/dbraw/zinc/15/45/51/552154551.db2.gz GAQXHYQJXDLUEJ-UHFFFAOYSA-N 1 0 382.860 2.797 20 0 GFADRO CC(C)[NH+](CCNC(=O)c1ccc(CS(=O)(=O)C(F)F)cc1)C(C)C ZINC000177659332 552156592 /nfs/dbraw/zinc/15/65/92/552156592.db2.gz VTZDAIBOOVDVNY-UHFFFAOYSA-N 1 0 376.469 2.673 20 0 GFADRO CC[C@H](C)C[N@H+](CC)CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000177849726 552159968 /nfs/dbraw/zinc/15/99/68/552159968.db2.gz CBMKPXZJZFFWRG-ZDUSSCGKSA-N 1 0 389.949 2.897 20 0 GFADRO C[C@H](C[NH+]1CCCCC1)NC(=O)N[C@H](CO)c1cccc(Br)c1 ZINC000177933425 552161061 /nfs/dbraw/zinc/16/10/61/552161061.db2.gz RYRLYZGETILYDA-CZUORRHYSA-N 1 0 384.318 2.656 20 0 GFADRO C[C@H](CC(=O)N1CCCCCC1)[NH2+]CCS(=O)(=O)c1ccc(Cl)cc1 ZINC000177970185 552161432 /nfs/dbraw/zinc/16/14/32/552161432.db2.gz VZIQVUYKYKTZJA-OAHLLOKOSA-N 1 0 386.945 2.885 20 0 GFADRO Cn1cc(Br)cc(NC(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)c1=O ZINC000177972243 552161824 /nfs/dbraw/zinc/16/18/24/552161824.db2.gz FRXJNHUGYIQMCC-CQSZACIVSA-N 1 0 397.317 2.534 20 0 GFADRO C[C@@H]([NH3+])CCNC(=O)c1cc(Br)ccc1I ZINC000178612857 552173287 /nfs/dbraw/zinc/17/32/87/552173287.db2.gz JLNOUISEIDZCCU-SSDOTTSWSA-N 1 0 397.054 2.521 20 0 GFADRO O=C(CCN1CC[NH+](C[C@@H]2CCOC2)CC1)Nc1cc(Cl)ccc1Cl ZINC000178830211 552176428 /nfs/dbraw/zinc/17/64/28/552176428.db2.gz FCEOAVGHASCMEP-AWEZNQCLSA-N 1 0 386.323 2.976 20 0 GFADRO NC(=O)c1csc(C[NH2+]CCC(=O)Nc2ccc(Br)cc2)c1 ZINC000178854878 552176891 /nfs/dbraw/zinc/17/68/91/552176891.db2.gz XIYLOOHYYLAQIP-UHFFFAOYSA-N 1 0 382.283 2.728 20 0 GFADRO C[C@@H]([NH3+])C1CCN(C(=O)c2nn(-c3ccc(F)cc3)cc2Br)CC1 ZINC000178852957 552177237 /nfs/dbraw/zinc/17/72/37/552177237.db2.gz UQNMUNVIBILOMI-LLVKDONJSA-N 1 0 395.276 2.973 20 0 GFADRO O=C(NC1CCN(Cc2ccc(Br)cc2)CC1)[C@H]1CCC[NH2+]C1 ZINC000178856277 552177251 /nfs/dbraw/zinc/17/72/51/552177251.db2.gz SWOUVSKGUTYGIO-HNNXBMFYSA-N 1 0 380.330 2.529 20 0 GFADRO C[C@@H]([NH3+])C1CCN(C(=O)c2cnn(-c3ccc(Br)cc3)c2)CC1 ZINC000178859237 552177731 /nfs/dbraw/zinc/17/77/31/552177731.db2.gz SYGOXBFWQGYRTB-GFCCVEGCSA-N 1 0 377.286 2.834 20 0 GFADRO CCCN(C(=O)c1nn(-c2ccc(F)cc2)cc1Br)[C@@H]1CC[NH2+]C1 ZINC000178921465 552179230 /nfs/dbraw/zinc/17/92/30/552179230.db2.gz WVPMJHPRZZMPMC-CQSZACIVSA-N 1 0 395.276 2.988 20 0 GFADRO CCCN([C@@H]1CC[NH2+]C1)S(=O)(=O)c1ccc(OCC)c(Br)c1 ZINC000178933447 552179886 /nfs/dbraw/zinc/17/98/86/552179886.db2.gz LZIBIAWFCUOTPA-GFCCVEGCSA-N 1 0 391.331 2.610 20 0 GFADRO C[NH2+]C[C@@H]1CCN(C(=O)CCc2nc(-c3cc(Br)cs3)no2)C1 ZINC000178966061 552180776 /nfs/dbraw/zinc/18/07/76/552180776.db2.gz HDBDZQSBKGJVNO-JTQLQIEISA-N 1 0 399.314 2.561 20 0 GFADRO Cc1ccc(Br)c(NC(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)c1 ZINC000179352915 552190760 /nfs/dbraw/zinc/19/07/60/552190760.db2.gz DEDKHQXJQYYNFD-CQSZACIVSA-N 1 0 382.302 2.944 20 0 GFADRO CC[C@H](CO)[NH+]1CCN(C(=O)C[C@H](C)c2ccc(Br)cc2)CC1 ZINC000179403011 552192243 /nfs/dbraw/zinc/19/22/43/552192243.db2.gz LPXNDOLZOXBJPF-WMLDXEAASA-N 1 0 383.330 2.858 20 0 GFADRO C[NH+](C)CCOc1cc(C(=O)NCc2ccc(Br)c(F)c2)ccn1 ZINC000179500456 552195277 /nfs/dbraw/zinc/19/52/77/552195277.db2.gz AREKGAKOYHVFMF-UHFFFAOYSA-N 1 0 396.260 2.854 20 0 GFADRO CNC(=O)C1CC[NH+](Cc2cn(-c3ccc(Br)cc3)nc2C)CC1 ZINC000179821527 552204212 /nfs/dbraw/zinc/20/42/12/552204212.db2.gz QAKRVTINDQZCSR-UHFFFAOYSA-N 1 0 391.313 2.901 20 0 GFADRO C[C@H]([NH2+]CC(=O)Nc1cccc(I)c1)C1CCOCC1 ZINC000179869051 552205496 /nfs/dbraw/zinc/20/54/96/552205496.db2.gz BTGDPSGXVXGSPT-NSHDSACASA-N 1 0 388.249 2.634 20 0 GFADRO C[NH+](C)C[C@](C)(O)CNC(=O)NCCSCc1ccc(Cl)cc1Cl ZINC000179884598 552205911 /nfs/dbraw/zinc/20/59/11/552205911.db2.gz RJGQZBLDVRUMRL-MRXNPFEDSA-N 1 0 394.368 2.838 20 0 GFADRO Cc1nc(S(=O)(=O)[N-]C2CC[NH+](C(C)(C)C)CC2)sc1Br ZINC000180059774 552211713 /nfs/dbraw/zinc/21/17/13/552211713.db2.gz VCVBDTFBPUZKBG-UHFFFAOYSA-N 1 0 396.376 2.755 20 0 GFADRO CS(=O)(=O)N1CC[C@H](C[NH2+][C@@H](c2ccc(Br)cc2)C2CC2)C1 ZINC000180202614 552217516 /nfs/dbraw/zinc/21/75/16/552217516.db2.gz UNIWNGHYFOEIDY-MLGOLLRUSA-N 1 0 387.343 2.771 20 0 GFADRO CS(=O)(=O)Nc1ccc(OCC[NH2+]Cc2cccc(Br)c2)cc1 ZINC000180354796 552223746 /nfs/dbraw/zinc/22/37/46/552223746.db2.gz FZBLKEHKOFDMKK-UHFFFAOYSA-N 1 0 399.310 2.989 20 0 GFADRO O=C(NCc1ccccc1C[N@H+]1CCC[C@H]1CO)c1occc1Br ZINC000180482511 552227517 /nfs/dbraw/zinc/22/75/17/552227517.db2.gz SHXUNQLMGKLIQI-HNNXBMFYSA-N 1 0 393.281 2.929 20 0 GFADRO C[C@@H](Cn1cc(Br)cn1)[NH2+]CCCNC(=O)c1ccc(F)cc1 ZINC000180721960 552234158 /nfs/dbraw/zinc/23/41/58/552234158.db2.gz CJSCPNPGOGQODU-LBPRGKRZSA-N 1 0 383.265 2.583 20 0 GFADRO O=S(=O)(C(F)F)N1CCC(C[NH2+][C@@H]2CSCCc3ccccc32)CC1 ZINC000180800867 552235984 /nfs/dbraw/zinc/23/59/84/552235984.db2.gz LPSAZOZQDIBOSX-MRXNPFEDSA-N 1 0 390.521 2.871 20 0 GFADRO COc1ccc(C)cc1[C@@H](C)[NH2+]CC1CCN(S(=O)(=O)C(F)F)CC1 ZINC000180799473 552236183 /nfs/dbraw/zinc/23/61/83/552236183.db2.gz NOPBZNXYDUYWQR-CYBMUJFWSA-N 1 0 376.469 2.919 20 0 GFADRO CCS(=O)(=O)C[C@@H](C)[NH2+][C@H](C)CC(=O)Nc1ccc(Br)cc1 ZINC000180824288 552236552 /nfs/dbraw/zinc/23/65/52/552236552.db2.gz ZZYGOMPDMFIDJV-VXGBXAGGSA-N 1 0 391.331 2.579 20 0 GFADRO C[C@]1(C(=O)N2CCN(C(=O)c3cccc(Cl)c3Cl)CC2)CCCC[NH2+]1 ZINC000180919807 552239999 /nfs/dbraw/zinc/23/99/99/552239999.db2.gz MHZKFMXLASWDOZ-GOSISDBHSA-N 1 0 384.307 2.810 20 0 GFADRO O[C@@H](CSc1nnc(N2CCCC2)s1)C[N@@H+]1CCc2ccccc2C1 ZINC000181129754 552247839 /nfs/dbraw/zinc/24/78/39/552247839.db2.gz HNMIXNWBAIMGEP-MRXNPFEDSA-N 1 0 376.551 2.650 20 0 GFADRO CSC1(C[NH2+][C@H](C)c2cccc(N3CCCS3(=O)=O)c2)CCOCC1 ZINC000181159910 552248442 /nfs/dbraw/zinc/24/84/42/552248442.db2.gz MBRKAQSWKXTJGV-OAHLLOKOSA-N 1 0 384.567 2.789 20 0 GFADRO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@H]1CC(=O)N(C2CC2)C1 ZINC000181218923 552250159 /nfs/dbraw/zinc/25/01/59/552250159.db2.gz UECXJLJGPXRBFU-RISCZKNCSA-N 1 0 380.286 2.519 20 0 GFADRO CN(CCNC1CC[NH+](C2CCCCC2)CC1)S(=O)(=O)c1cccs1 ZINC000181503305 552259047 /nfs/dbraw/zinc/25/90/47/552259047.db2.gz JESACZJHFPVPEF-UHFFFAOYSA-N 1 0 385.599 2.755 20 0 GFADRO CC(C)(C)OC(=O)CCC[NH+]1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000181513649 552259647 /nfs/dbraw/zinc/25/96/47/552259647.db2.gz CFPONSJVQPDAKW-UHFFFAOYSA-N 1 0 388.555 2.613 20 0 GFADRO O=C(NCc1ccc(Cl)s1)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000181554651 552260529 /nfs/dbraw/zinc/26/05/29/552260529.db2.gz WTDKEQWPZLIXAX-HNNXBMFYSA-N 1 0 379.913 2.968 20 0 GFADRO COC(=O)Cn1cc(CC[NH2+][C@@H](C)c2cc(F)c(Cl)cc2Cl)nn1 ZINC000181647219 552264064 /nfs/dbraw/zinc/26/40/64/552264064.db2.gz ZPTRRIKBMWASCQ-VIFPVBQESA-N 1 0 375.231 2.790 20 0 GFADRO C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCN(S(C)(=O)=O)C2)c2cccc(Br)c21 ZINC000181674481 552264497 /nfs/dbraw/zinc/26/44/97/552264497.db2.gz RAJOYFQFERDCQJ-TYNCELHUSA-N 1 0 387.343 2.869 20 0 GFADRO C[C@@H]([NH2+]C[C@H]1CCN(S(C)(=O)=O)C1)c1ccc(SCC(F)F)cc1 ZINC000181682928 552265410 /nfs/dbraw/zinc/26/54/10/552265410.db2.gz FQLOJFWDTZLNQY-CHWSQXEVSA-N 1 0 378.510 2.976 20 0 GFADRO CC1(C)[C@H]([NH2+]CCNC(=O)c2cccc(Br)c2)[C@H]2CCCO[C@@H]21 ZINC000181958655 552271778 /nfs/dbraw/zinc/27/17/78/552271778.db2.gz ATLDFAJOMVUPBL-OAGGEKHMSA-N 1 0 381.314 2.972 20 0 GFADRO C[N@H+](CCCO)C1CCN(C(=O)Nc2ccc(Br)c(F)c2)CC1 ZINC000181987674 552272364 /nfs/dbraw/zinc/27/23/64/552272364.db2.gz NQMWMMUXYHZGHC-UHFFFAOYSA-N 1 0 388.281 2.899 20 0 GFADRO CC(C)C[N@@H+]1CCC[C@H](CNS(=O)(=O)c2ccc(C(F)(F)F)nc2)C1 ZINC000182143538 552276574 /nfs/dbraw/zinc/27/65/74/552276574.db2.gz OLVURARJQRVXIR-CYBMUJFWSA-N 1 0 379.448 2.747 20 0 GFADRO C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1cc2c(cc1Br)OCCCO2 ZINC000182221650 552278280 /nfs/dbraw/zinc/27/82/80/552278280.db2.gz HEHORFVETVVBJL-VXGBXAGGSA-N 1 0 383.286 2.696 20 0 GFADRO CC[C@@H]([NH2+]CC(=O)Nc1ccccc1I)[C@H]1CCCO1 ZINC000182316822 552281064 /nfs/dbraw/zinc/28/10/64/552281064.db2.gz INBLBPMOAJLBHH-TZMCWYRMSA-N 1 0 388.249 2.777 20 0 GFADRO CN(Cc1ncc(Cl)n1C)C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000182379648 552282142 /nfs/dbraw/zinc/28/21/42/552282142.db2.gz DBRCYZIUEDDAOM-UHFFFAOYSA-N 1 0 385.965 2.577 20 0 GFADRO C[C@H]1CCCC[N@@H+]1CCCNS(=O)(=O)c1ccc(OCC(F)F)cc1 ZINC000182385048 552282753 /nfs/dbraw/zinc/28/27/53/552282753.db2.gz RGCYEPGLCXCUSP-AWEZNQCLSA-N 1 0 376.469 2.873 20 0 GFADRO C[C@H](CNS(=O)(=O)c1ccc(OCC(F)F)cc1)C[NH+]1CCCCC1 ZINC000182476494 552284866 /nfs/dbraw/zinc/28/48/66/552284866.db2.gz XKKTXWIRWUWANS-CQSZACIVSA-N 1 0 376.469 2.731 20 0 GFADRO Cc1cc(Br)ccc1CC(=O)NCCCC[N@@H+]1CCC[C@@H]1CO ZINC000182558815 552287131 /nfs/dbraw/zinc/28/71/31/552287131.db2.gz BTLVUPICRVTROM-QGZVFWFLSA-N 1 0 383.330 2.653 20 0 GFADRO C[C@@H](CS(C)(=O)=O)[NH2+]C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000182966352 552297279 /nfs/dbraw/zinc/29/72/79/552297279.db2.gz AYPQUKZQWSTSQV-LBPRGKRZSA-N 1 0 379.353 2.981 20 0 GFADRO Cc1ccc(S(=O)(=O)CCC[NH2+][C@H](C[S@@](C)=O)c2ccccc2)cc1 ZINC000183176588 552302301 /nfs/dbraw/zinc/30/23/01/552302301.db2.gz IPENPZYHHQQRHC-NTKDMRAZSA-N 1 0 379.547 2.868 20 0 GFADRO COc1ccc(Br)cc1C[NH2+][C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000183198038 552302852 /nfs/dbraw/zinc/30/28/52/552302852.db2.gz DHRJROQVHSVEGN-DZGCQCFKSA-N 1 0 376.316 2.903 20 0 GFADRO Cc1ccc(NC(=O)C(=O)NCC2(C[NH+](C)C)CCCC2)c(Br)c1 ZINC000183354868 552306819 /nfs/dbraw/zinc/30/68/19/552306819.db2.gz FTPLEWJLOLXKQO-UHFFFAOYSA-N 1 0 396.329 2.934 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CNC(=O)c1c[nH+]ccc1N(C)C ZINC000183485802 552310728 /nfs/dbraw/zinc/31/07/28/552310728.db2.gz HPGDQEXDYHXEPE-UHFFFAOYSA-N 1 0 391.269 2.587 20 0 GFADRO CCc1cc(N2CCC[C@H]([NH2+]Cc3cncc(Br)c3)C2)ncn1 ZINC000183707671 552317542 /nfs/dbraw/zinc/31/75/42/552317542.db2.gz RDURTIROLFPJKI-INIZCTEOSA-N 1 0 376.302 2.955 20 0 GFADRO C[C@@H](C[NH2+]Cc1cn(-c2ccc(Cl)c(Cl)c2)nn1)CN1CCOCC1 ZINC000183801777 552319758 /nfs/dbraw/zinc/31/97/58/552319758.db2.gz AJVNWDYRZVMXAH-ZDUSSCGKSA-N 1 0 384.311 2.632 20 0 GFADRO C[C@@H](CC(=O)OC(C)(C)C)[NH2+]C[C@H](O)COc1ccccc1Br ZINC000183909857 552322986 /nfs/dbraw/zinc/32/29/86/552322986.db2.gz YZOUMHYDHJYMRT-STQMWFEESA-N 1 0 388.302 2.899 20 0 GFADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)C[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000184066010 552326696 /nfs/dbraw/zinc/32/66/96/552326696.db2.gz QERUCFMOUKAPLR-CXAGYDPISA-N 1 0 388.339 2.559 20 0 GFADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)CCc1ccc(Br)cc1 ZINC000184333079 552332939 /nfs/dbraw/zinc/33/29/39/552332939.db2.gz OBOMIBSINYXRAV-OAHLLOKOSA-N 1 0 382.346 2.524 20 0 GFADRO CCC[N@H+](CCc1cccs1)CC(=O)Nc1nc(CC(=O)OC)cs1 ZINC000184506025 552336842 /nfs/dbraw/zinc/33/68/42/552336842.db2.gz NPXRORKLONEFJY-UHFFFAOYSA-N 1 0 381.523 2.813 20 0 GFADRO CC[N@H+](CCO)CCNC(=O)Nc1cc(Br)cc(OC(C)C)c1 ZINC000184587887 552339451 /nfs/dbraw/zinc/33/94/51/552339451.db2.gz OOBWPBRNSKLFOQ-UHFFFAOYSA-N 1 0 388.306 2.672 20 0 GFADRO Brc1cnc2c(c1)nccc2N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000184576014 552339509 /nfs/dbraw/zinc/33/95/09/552339509.db2.gz IZVPMUBXPOEPOZ-ZDUSSCGKSA-N 1 0 377.286 2.551 20 0 GFADRO Brc1cc2c(c(CN3CC[NH+](C4CCOCC4)CC3)c1)OCC2 ZINC000184864784 552346683 /nfs/dbraw/zinc/34/66/83/552346683.db2.gz IGABHRNRNXWPCJ-UHFFFAOYSA-N 1 0 381.314 2.681 20 0 GFADRO Cc1c(C(=O)N2C[C@H]3CC[C@H]([NH3+])[C@@H]3C2)cnn1-c1cccc(Br)c1 ZINC000185194363 552357059 /nfs/dbraw/zinc/35/70/59/552357059.db2.gz DZQJXEBETMAGPA-JLZZUVOBSA-N 1 0 389.297 2.753 20 0 GFADRO CN1CC[NH+](CCC(C)(C)NC(=O)NCc2ccccc2Br)CC1 ZINC000185288579 552360431 /nfs/dbraw/zinc/36/04/31/552360431.db2.gz TZKLUHJNKOBJMD-UHFFFAOYSA-N 1 0 397.361 2.664 20 0 GFADRO CC(C)C[C@H](CO)[N@H+](C)CC(=O)N(C)Cc1cc(Br)cs1 ZINC000185363585 552361676 /nfs/dbraw/zinc/36/16/76/552361676.db2.gz OJLXGAQCJKZJAX-CYBMUJFWSA-N 1 0 377.348 2.808 20 0 GFADRO Cc1ccc(CCC(=O)N(C)CCCN2CC[NH+](C)CC2)c(Br)c1 ZINC000185460070 552363991 /nfs/dbraw/zinc/36/39/91/552363991.db2.gz YRZBQTQIOIYEQL-UHFFFAOYSA-N 1 0 396.373 2.786 20 0 GFADRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)CNC(=O)c1ccc(Br)cc1 ZINC000185896404 552373150 /nfs/dbraw/zinc/37/31/50/552373150.db2.gz QNWASIQGPMFUAZ-INIZCTEOSA-N 1 0 396.329 2.512 20 0 GFADRO COc1cc(Br)c(CNC(=O)N(C)CCC[NH+](C)C)cc1OC ZINC000185924544 552374631 /nfs/dbraw/zinc/37/46/31/552374631.db2.gz NLIZMBNLWOLCLA-UHFFFAOYSA-N 1 0 388.306 2.559 20 0 GFADRO C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000186523655 552390204 /nfs/dbraw/zinc/39/02/04/552390204.db2.gz OEOLOYSWRLGLKG-VXGBXAGGSA-N 1 0 384.307 2.855 20 0 GFADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N[C@H](C)c1ccc(Cl)cc1 ZINC000186604125 552391947 /nfs/dbraw/zinc/39/19/47/552391947.db2.gz WBBUPRNBUVARBV-GFCCVEGCSA-N 1 0 384.933 2.754 20 0 GFADRO CCOc1cc(Br)c(CC(=O)N[C@H]2C[NH2+]CC[C@H]2C)cc1OCC ZINC000186670720 552394344 /nfs/dbraw/zinc/39/43/44/552394344.db2.gz FIXHJYBSBFSGGN-DOMZBBRYSA-N 1 0 399.329 2.903 20 0 GFADRO CN(CCC[NH+](C)C)C(=O)N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000186757992 552397107 /nfs/dbraw/zinc/39/71/07/552397107.db2.gz DNWNESDZKHEURF-OAHLLOKOSA-N 1 0 387.311 2.692 20 0 GFADRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)CCc1nc(-c2cc(Br)cs2)no1 ZINC000186789435 552398379 /nfs/dbraw/zinc/39/83/79/552398379.db2.gz UFVZSPZWBSZVJM-KOLCDFICSA-N 1 0 399.314 2.607 20 0 GFADRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)c1nn(-c2ccc(F)cc2)cc1Br ZINC000186892340 552400723 /nfs/dbraw/zinc/40/07/23/552400723.db2.gz QYAWMJQZNUWJPA-IINYFYTJSA-N 1 0 381.249 2.502 20 0 GFADRO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)Nc1cc(F)c(Br)cc1C ZINC000187091412 552406507 /nfs/dbraw/zinc/40/65/07/552406507.db2.gz BGAUFWSELABCOH-LLVKDONJSA-N 1 0 388.281 2.682 20 0 GFADRO CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]C1CCN(C(=O)C(C)C)CC1 ZINC000187117163 552407343 /nfs/dbraw/zinc/40/73/43/552407343.db2.gz FYJQCGJOQHHYPF-UHFFFAOYSA-N 1 0 386.945 2.870 20 0 GFADRO CCO[C@H]1C[C@@]([NH3+])(C(=O)NCCc2ccc(Br)s2)C1(C)C ZINC000187296132 552411627 /nfs/dbraw/zinc/41/16/27/552411627.db2.gz MFEWFZCWEZSFSP-XHDPSFHLSA-N 1 0 375.332 2.702 20 0 GFADRO CCO[C@@H]1C[C@@]([NH3+])(C(=O)NCc2ccc(OC)c(Br)c2)C1(C)C ZINC000187623696 552420974 /nfs/dbraw/zinc/42/09/74/552420974.db2.gz QYZFCYLKBPEVEO-RHSMWYFYSA-N 1 0 385.302 2.606 20 0 GFADRO COC[C@@H](C)C[NH2+]CC(C)(C)S(=O)(=O)c1ccc(Br)cc1 ZINC000187937884 552428284 /nfs/dbraw/zinc/42/82/84/552428284.db2.gz MKACJTBXMNXFEF-LBPRGKRZSA-N 1 0 378.332 2.874 20 0 GFADRO C[C@@H]1C[C@H](N(C)C(=O)c2cc(I)ccc2O)CC[N@@H+]1C ZINC000188042253 552432118 /nfs/dbraw/zinc/43/21/18/552432118.db2.gz KTUZVQUXJZGKMM-ZYHUDNBSSA-N 1 0 388.249 2.552 20 0 GFADRO CC1(C)CN(CCNS(=O)(=O)Cc2cc(Cl)cc(Cl)c2)CCO1 ZINC000188085012 552433949 /nfs/dbraw/zinc/43/39/49/552433949.db2.gz NSAGXOHXUHDXHC-UHFFFAOYSA-N 1 0 381.325 2.524 20 0 GFADRO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1cc(Br)c(C)cc1C ZINC000188099169 552435325 /nfs/dbraw/zinc/43/53/25/552435325.db2.gz TYQCNZPTNGUUSL-CYBMUJFWSA-N 1 0 384.318 2.851 20 0 GFADRO CS(=O)(=O)NCC[NH2+][C@H](CC1CC1)c1cc(F)cc(Br)c1 ZINC000188184941 552438015 /nfs/dbraw/zinc/43/80/15/552438015.db2.gz YQUVZGVQQVJCEW-CQSZACIVSA-N 1 0 379.295 2.568 20 0 GFADRO CN(Cc1cncc(Br)c1)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188277676 552441314 /nfs/dbraw/zinc/44/13/14/552441314.db2.gz PDICQAIPLFIBHV-IBGZPJMESA-N 1 0 390.325 2.913 20 0 GFADRO CCC[C@@H]1CN(C(=O)c2ccc(Br)cc2N)CC[N@@H+]1CCOC ZINC000188409958 552444204 /nfs/dbraw/zinc/44/42/04/552444204.db2.gz WCEMQJJEIAGEPV-CQSZACIVSA-N 1 0 384.318 2.604 20 0 GFADRO C[C@@H]1CN(C(=O)c2cc(Cl)ccc2OC(F)F)CC[N@@H+]1CC(C)(C)O ZINC000188656901 552451413 /nfs/dbraw/zinc/45/14/13/552451413.db2.gz RKTHLSCQWJVXFV-LLVKDONJSA-N 1 0 376.831 2.859 20 0 GFADRO C[C@H](C(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1)c1ccc(Br)s1 ZINC000188697454 552452593 /nfs/dbraw/zinc/45/25/93/552452593.db2.gz YYXGBYDUZKYZKW-RYUDHWBXSA-N 1 0 389.359 2.918 20 0 GFADRO C[C@@H](O)C[NH+]1CCN(Cc2cc(Br)cc(C(F)(F)F)c2)CC1 ZINC000188723067 552453401 /nfs/dbraw/zinc/45/34/01/552453401.db2.gz CTPWWGCFEMUQMT-LLVKDONJSA-N 1 0 381.236 2.966 20 0 GFADRO C[C@H](C(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1)c1ccc(Br)cc1 ZINC000188756911 552454521 /nfs/dbraw/zinc/45/45/21/552454521.db2.gz JXARLJCQPPJFFT-KGLIPLIRSA-N 1 0 383.330 2.856 20 0 GFADRO CCN(CCC[NH+](C)C)C(=O)C[C@@H](NC(C)=O)c1ccc(Br)cc1 ZINC000188902297 552458028 /nfs/dbraw/zinc/45/80/28/552458028.db2.gz SJHLOQPPTACQGF-QGZVFWFLSA-N 1 0 398.345 2.817 20 0 GFADRO CCO[C@@H](CC[NH+](C)C)CNC(=O)c1cc(Br)ncc1Cl ZINC000188914261 552458583 /nfs/dbraw/zinc/45/85/83/552458583.db2.gz FTZAIXPOVUXCTE-JTQLQIEISA-N 1 0 378.698 2.584 20 0 GFADRO Cc1ccc(Br)c(S(=O)(=O)N(C)CC2([NH+](C)C)CCC2)c1 ZINC000189139720 552464010 /nfs/dbraw/zinc/46/40/10/552464010.db2.gz XUYZEZWHVQTKDA-UHFFFAOYSA-N 1 0 375.332 2.862 20 0 GFADRO O=S(=O)(CCO)c1ccc(C[NH2+][C@H]2CCSc3c(F)cccc32)cc1 ZINC000189172186 552464983 /nfs/dbraw/zinc/46/49/83/552464983.db2.gz ZCWNKSILHKJXNP-KRWDZBQOSA-N 1 0 381.494 2.918 20 0 GFADRO C[NH+](C)CCOc1ccccc1CNC(=O)C(=O)Nc1ccsc1Cl ZINC000189206565 552465421 /nfs/dbraw/zinc/46/54/21/552465421.db2.gz HVSMSMSLUBMIEK-UHFFFAOYSA-N 1 0 381.885 2.597 20 0 GFADRO Cc1ccc(Br)cc1S(=O)(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000189212955 552466014 /nfs/dbraw/zinc/46/60/14/552466014.db2.gz AYQMDTBFTCYYJF-UHFFFAOYSA-N 1 0 381.295 2.839 20 0 GFADRO Cc1ccc(S(=O)(=O)NCC[NH2+]Cc2ccc3nc(C)ccc3c2)s1 ZINC000189400883 552470850 /nfs/dbraw/zinc/47/08/50/552470850.db2.gz ZRCLTEUOBYQLAU-UHFFFAOYSA-N 1 0 375.519 2.981 20 0 GFADRO O=C(NCC[N@@H+]1CCCOCC1)c1ccc(Br)c(C(F)(F)F)c1 ZINC000189429048 552471589 /nfs/dbraw/zinc/47/15/89/552471589.db2.gz ZBHDNRUWRKIUNC-UHFFFAOYSA-N 1 0 395.219 2.920 20 0 GFADRO CCS[C@H]1CCCC[C@H]1[NH2+]Cc1nnc2n1c1ccsc1c(=O)n2C ZINC000189483780 552472835 /nfs/dbraw/zinc/47/28/35/552472835.db2.gz SRLOPDZHRQKENO-YPMHNXCESA-N 1 0 377.539 2.797 20 0 GFADRO C[C@@H](NC(=O)C[N@H+](C)CC1(O)CCOCC1)c1ccc(Cl)c(Cl)c1 ZINC000189760102 552479344 /nfs/dbraw/zinc/47/93/44/552479344.db2.gz VOYFRFSOLNMGSP-GFCCVEGCSA-N 1 0 375.296 2.644 20 0 GFADRO CCc1cnc(NC(=O)C(=O)NC[C@H](c2ccsc2)[NH+](CC)CC)s1 ZINC000190308368 552492203 /nfs/dbraw/zinc/49/22/03/552492203.db2.gz JQFNNJSNRBJIME-CQSZACIVSA-N 1 0 380.539 2.905 20 0 GFADRO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1cc(F)ccc1Br ZINC000190353702 552493381 /nfs/dbraw/zinc/49/33/81/552493381.db2.gz NSYYKJXFGOKWSN-QWHCGFSZSA-N 1 0 398.276 2.612 20 0 GFADRO COCC[NH+]1CCC(N[C@H](C(=O)OC)c2ccc(Cl)c(Cl)c2)CC1 ZINC000190607069 552502945 /nfs/dbraw/zinc/50/29/45/552502945.db2.gz DNFKGSHJEDPUIL-INIZCTEOSA-N 1 0 375.296 2.908 20 0 GFADRO COC[C@H](O)C[N@@H+]1CCC[C@@H]1c1nc(-c2ccccc2Br)no1 ZINC000190784745 552509017 /nfs/dbraw/zinc/50/90/17/552509017.db2.gz KARDPNMPFKJYHY-BXUZGUMPSA-N 1 0 382.258 2.643 20 0 GFADRO Cc1ccc(C[NH2+]Cc2ccc(S(=O)(=O)CCO)cc2)cc1Br ZINC000191838779 552539494 /nfs/dbraw/zinc/53/94/94/552539494.db2.gz YXGDKKUKYRXNNM-UHFFFAOYSA-N 1 0 398.322 2.813 20 0 GFADRO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)Nc1cccc(Cl)c1Br ZINC000191911282 552542097 /nfs/dbraw/zinc/54/20/97/552542097.db2.gz DHVFWSQYAMNAQY-SNVBAGLBSA-N 1 0 390.709 2.888 20 0 GFADRO COC(=O)[C@@H](c1ccc(Cl)c(Cl)c1)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000192041681 552547223 /nfs/dbraw/zinc/54/72/23/552547223.db2.gz KWSWFHWXNSWBQJ-CXAGYDPISA-N 1 0 387.307 2.862 20 0 GFADRO CCO[C@H](CC[NH+](C)C)CNC(=O)c1cc(Br)c(F)cc1F ZINC000192158147 552553984 /nfs/dbraw/zinc/55/39/84/552553984.db2.gz LSVOFBLWVOTWGB-SNVBAGLBSA-N 1 0 379.245 2.814 20 0 GFADRO C[C@H](C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)N(C)CC(F)(F)F ZINC000192197485 552555773 /nfs/dbraw/zinc/55/57/73/552555773.db2.gz DTEYWMMCEAOBKC-KGLIPLIRSA-N 1 0 377.476 2.959 20 0 GFADRO C[N@H+]1C[C@H]2CN(C(=O)c3coc(-c4ccc(Br)cc4F)n3)C[C@H]2C1 ZINC000192481926 552565269 /nfs/dbraw/zinc/56/52/69/552565269.db2.gz JKUVTVIXYIQOOG-PHIMTYICSA-N 1 0 394.244 2.877 20 0 GFADRO Cn1c2ccc(C[NH2+]CCCS(=O)(=O)c3ccccc3)cc2sc1=O ZINC000192520143 552566262 /nfs/dbraw/zinc/56/62/62/552566262.db2.gz BMQCOGDBXMLYFV-UHFFFAOYSA-N 1 0 376.503 2.554 20 0 GFADRO CC(=O)Nc1cc(F)c(S(=O)(=O)N[C@]2(C[NH3+])CCCC[C@@H]2C)cc1Cl ZINC000193039477 552981380 /nfs/dbraw/zinc/98/13/80/552981380.db2.gz VQURRBXXNSGECQ-QFYYESIMSA-N 1 0 391.896 2.623 20 0 GFADRO O=C(NCCCCC[NH+]1CCCCC1)C(=O)Nc1ccc(Br)cn1 ZINC000193226669 552986903 /nfs/dbraw/zinc/98/69/03/552986903.db2.gz HZJWPLUTMKZVST-UHFFFAOYSA-N 1 0 397.317 2.555 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCCN(S(=O)(=O)c2cc(Cl)c(Br)cc2F)C1 ZINC000193285035 552988872 /nfs/dbraw/zinc/98/88/72/552988872.db2.gz LRADOSNHDYOBLC-DTWKUNHWSA-N 1 0 399.713 2.990 20 0 GFADRO O=C(N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO)c1ccoc1Br ZINC000193739782 553001699 /nfs/dbraw/zinc/00/16/99/553001699.db2.gz PSTPMPMMAPWDCL-GOEBONIOSA-N 1 0 393.281 2.655 20 0 GFADRO Cc1c(C(=O)NCCC[NH+]2CCCC2)nnn1-c1cccc(Br)c1 ZINC000193749308 553002070 /nfs/dbraw/zinc/00/20/70/553002070.db2.gz FAWDKSOSHRMTIP-UHFFFAOYSA-N 1 0 392.301 2.554 20 0 GFADRO C[C@H](CN1CCCC1=O)[NH2+][C@@H](C)CC(=O)Nc1ccc(Br)cc1 ZINC000194067147 553011165 /nfs/dbraw/zinc/01/11/65/553011165.db2.gz JZZLAGLPQNEGIG-QWHCGFSZSA-N 1 0 382.302 2.767 20 0 GFADRO O[C@@H](COc1ccccc1Cl)CN1CCN(c2ccc(Cl)cn2)CC1 ZINC000194603212 553025214 /nfs/dbraw/zinc/02/52/14/553025214.db2.gz GMBIULUZSXHWJD-OAHLLOKOSA-N 1 0 382.291 2.950 20 0 GFADRO O=C(c1ccc(COc2ccc(Br)cc2)o1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000195255190 553042428 /nfs/dbraw/zinc/04/24/28/553042428.db2.gz XBWBOMQVSFFJAN-BETUJISGSA-N 1 0 391.265 2.913 20 0 GFADRO COCC[NH+]1CCC(NC(=O)[C@@H]2C[C@@H]2c2ccc(Br)cc2)CC1 ZINC000195356445 553046004 /nfs/dbraw/zinc/04/60/04/553046004.db2.gz QZXVKTQBUQLGGP-IAGOWNOFSA-N 1 0 381.314 2.780 20 0 GFADRO [NH3+]CCCCNC(=O)c1cc(Br)ccc1I ZINC000227697163 553063374 /nfs/dbraw/zinc/06/33/74/553063374.db2.gz ROZGPLJJBIEHFI-UHFFFAOYSA-N 1 0 397.054 2.522 20 0 GFADRO CC(C)(CNC(=O)c1ccc(Cl)c(Br)c1)N1CCOCC1 ZINC000228974144 553063908 /nfs/dbraw/zinc/06/39/08/553063908.db2.gz PMFWFTNUVBDJSP-UHFFFAOYSA-N 1 0 375.694 2.943 20 0 GFADRO O=C(NCC[C@H]1CCC[NH2+]1)c1cc(Cl)ccc1I ZINC000232229375 553066446 /nfs/dbraw/zinc/06/64/46/553066446.db2.gz DKPLBTANDCQNGR-SNVBAGLBSA-N 1 0 378.641 2.817 20 0 GFADRO C[NH2+]C[C@@H]1CCN(C(=O)c2ccc(Br)cc2Br)C1 ZINC000234404190 553067946 /nfs/dbraw/zinc/06/79/46/553067946.db2.gz WWJSOHIUIVGGHR-VIFPVBQESA-N 1 0 376.092 2.893 20 0 GFADRO O=C(CCc1ncc(-c2ccccc2Br)o1)N1CCC[NH2+]CC1 ZINC000236590493 553069252 /nfs/dbraw/zinc/06/92/52/553069252.db2.gz BJQIABYRAUMZEE-UHFFFAOYSA-N 1 0 378.270 2.859 20 0 GFADRO CC(C)C[C@H]([NH3+])C(=O)N1CCC(C(=O)Nc2ccccc2Br)CC1 ZINC000236652059 553070315 /nfs/dbraw/zinc/07/03/15/553070315.db2.gz BIAJQAKYDAMNMZ-HNNXBMFYSA-N 1 0 396.329 3.000 20 0 GFADRO CC(=O)N[C@@H](CC(=O)NCC1([NH3+])CCCCC1)c1ccc(Br)cc1 ZINC000236693052 553070381 /nfs/dbraw/zinc/07/03/81/553070381.db2.gz NXHALSMOBZDFQT-INIZCTEOSA-N 1 0 396.329 2.794 20 0 GFADRO CC(=O)N[C@@H](CC(=O)N[C@@](C)(C[NH3+])C(C)C)c1ccc(Br)cc1 ZINC000236646133 553070475 /nfs/dbraw/zinc/07/04/75/553070475.db2.gz UFGGXARDPOXYOM-RDJZCZTQSA-N 1 0 384.318 2.506 20 0 GFADRO CC(C)C[C@](C)(C[NH3+])NC(=O)c1cc(=O)[nH]c2c(Br)cccc12 ZINC000236703942 553071179 /nfs/dbraw/zinc/07/11/79/553071179.db2.gz AVXFMKUZRDDJIM-QGZVFWFLSA-N 1 0 380.286 2.784 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)N(C)C1CC[NH2+]CC1 ZINC000236824570 553071716 /nfs/dbraw/zinc/07/17/16/553071716.db2.gz ICAZZBNRZKSXSG-AWEZNQCLSA-N 1 0 384.567 2.561 20 0 GFADRO CCCOc1c(Br)cc(C[NH2+]CCCS(C)(=O)=O)cc1OC ZINC000236907588 553073002 /nfs/dbraw/zinc/07/30/02/553073002.db2.gz WNMZYGCYYJIIGV-UHFFFAOYSA-N 1 0 394.331 2.771 20 0 GFADRO CCc1nc(C(=O)N[C@](C)(C[NH3+])C2CC2)nn1-c1c(Cl)cccc1Cl ZINC000237028958 553073431 /nfs/dbraw/zinc/07/34/31/553073431.db2.gz TXEDXVTWEQEQFE-QGZVFWFLSA-N 1 0 382.295 2.994 20 0 GFADRO CC[NH2+]CC1CCN(C(=O)/C=C/c2ccc(I)o2)CC1 ZINC000237031402 553073763 /nfs/dbraw/zinc/07/37/63/553073763.db2.gz KJIIFFLSTILBLU-GQCTYLIASA-N 1 0 388.249 2.746 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000237094436 553074198 /nfs/dbraw/zinc/07/41/98/553074198.db2.gz YQTUIFQKIWVKMA-GXTWGEPZSA-N 1 0 382.302 2.672 20 0 GFADRO COc1ccc(Br)cc1C(=O)CCC(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000237109440 553074693 /nfs/dbraw/zinc/07/46/93/553074693.db2.gz BVJHVYKLGMCGIM-LBPRGKRZSA-N 1 0 383.286 2.618 20 0 GFADRO CN(C(=O)c1ccc(Cl)c(I)c1)C1CC[NH2+]CC1 ZINC000237099787 553075035 /nfs/dbraw/zinc/07/50/35/553075035.db2.gz FZDXROAHQFIUJD-UHFFFAOYSA-N 1 0 378.641 2.769 20 0 GFADRO COc1ccc(CNC(=O)[C@H]2Cc3ccccc3C[NH2+]2)cc1Br ZINC000237326256 553076605 /nfs/dbraw/zinc/07/66/05/553076605.db2.gz SRSGDZOFHJUPES-MRXNPFEDSA-N 1 0 375.266 2.788 20 0 GFADRO CSCC[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)NCC(C)(C)[NH3+] ZINC000237339230 553077270 /nfs/dbraw/zinc/07/72/70/553077270.db2.gz HPTVQOGOMORTSU-ZDUSSCGKSA-N 1 0 392.352 2.698 20 0 GFADRO C[C@@H](C[NH3+])N(C)C(=O)Cc1ccc(NC(=O)c2ccc(Br)o2)cc1 ZINC000237433188 553077552 /nfs/dbraw/zinc/07/75/52/553077552.db2.gz YECRPQNYDLGJMC-NSHDSACASA-N 1 0 394.269 2.643 20 0 GFADRO CS(=O)(=O)Nc1ccc(C(F)(F)F)cc1NC(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000237400346 553077697 /nfs/dbraw/zinc/07/76/97/553077697.db2.gz WSBSPDISQNMRRQ-ONGXEEELSA-N 1 0 379.404 2.533 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)c2cc(F)c(F)cc2I)C1 ZINC000237475101 553078162 /nfs/dbraw/zinc/07/81/62/553078162.db2.gz ZCSBHDZCIYXYJS-DTWKUNHWSA-N 1 0 394.203 2.769 20 0 GFADRO C[C@]1(C(=O)NCC2(c3ccc(Br)cc3)CCOCC2)CC[NH2+]C1 ZINC000237545768 553078970 /nfs/dbraw/zinc/07/89/70/553078970.db2.gz QCXNGFCHBYZBOC-KRWDZBQOSA-N 1 0 381.314 2.613 20 0 GFADRO C[C@H](CC(=O)N1CCN(c2ccc(Br)cn2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000237572963 553079358 /nfs/dbraw/zinc/07/93/58/553079358.db2.gz ORTMEAZKQGXVKT-HUUCEWRRSA-N 1 0 395.345 2.519 20 0 GFADRO C[C@@H]1CN(C(=O)Cc2csc(-c3cccc(Br)c3)n2)CC[NH2+]1 ZINC000237597408 553079421 /nfs/dbraw/zinc/07/94/21/553079421.db2.gz AZWOZIOCVPODNQ-LLVKDONJSA-N 1 0 380.311 2.935 20 0 GFADRO C[C@H](C[NH3+])N(C)C(=O)c1cccc(NC(=O)c2ccc(Br)o2)c1 ZINC000237645428 553079864 /nfs/dbraw/zinc/07/98/64/553079864.db2.gz QRQOLJQCDGLJKF-SNVBAGLBSA-N 1 0 380.242 2.714 20 0 GFADRO C[C@]1(C(=O)NCCSCCOc2cccc(Br)c2)CC[NH2+]C1 ZINC000237760113 553081876 /nfs/dbraw/zinc/08/18/76/553081876.db2.gz HVUAIMHBYLMMIB-INIZCTEOSA-N 1 0 387.343 2.677 20 0 GFADRO [NH3+]C[C@H](NC(=O)CCc1ncc(-c2ccccc2Br)o1)C1CC1 ZINC000237865651 553083531 /nfs/dbraw/zinc/08/35/31/553083531.db2.gz OEOZMWIVPJQRGM-AWEZNQCLSA-N 1 0 378.270 2.890 20 0 GFADRO [NH3+]C1(C(=O)N2CCC(C(=O)Nc3ccccc3Br)CC2)CCCC1 ZINC000237878769 553083627 /nfs/dbraw/zinc/08/36/27/553083627.db2.gz XYHXZABEMWBZIH-UHFFFAOYSA-N 1 0 394.313 2.898 20 0 GFADRO [NH3+]CC1(C(=O)NC[C@H]2CCN(c3ccc(Br)cc3)C2)CCCC1 ZINC000238055042 553085625 /nfs/dbraw/zinc/08/56/25/553085625.db2.gz HGQPXLLNGUDCFX-CQSZACIVSA-N 1 0 380.330 2.911 20 0 GFADRO CN1CCO[C@@H]([C@@H](NC(=O)NCc2nccs2)c2ccc(Cl)cc2)C1 ZINC000245793252 553097039 /nfs/dbraw/zinc/09/70/39/553097039.db2.gz XRJHCHQNYJIOHV-ZBFHGGJFSA-N 1 0 380.901 2.668 20 0 GFADRO CCC[C@H]1CN(C[C@@H](O)c2ccccc2Br)CC[N@@H+]1CCOC ZINC000245975919 553100094 /nfs/dbraw/zinc/10/00/94/553100094.db2.gz XDZKTGNEDQUTDT-MAUKXSAKSA-N 1 0 385.346 2.915 20 0 GFADRO CCCCc1nnc(NC(=O)CN(C[C@H]2CCCO2)[C@H]2CCSC2)s1 ZINC000246006303 553100848 /nfs/dbraw/zinc/10/08/48/553100848.db2.gz YWNNGSVGDFIGCP-UONOGXRCSA-N 1 0 384.571 2.806 20 0 GFADRO CCCCc1nnc(NC(=O)CN(C[C@@H]2CCCO2)[C@H]2CCSC2)s1 ZINC000246006301 553101105 /nfs/dbraw/zinc/10/11/05/553101105.db2.gz YWNNGSVGDFIGCP-KBPBESRZSA-N 1 0 384.571 2.806 20 0 GFADRO Cc1cc(S(=O)(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)ccc1Br ZINC000246133038 553102834 /nfs/dbraw/zinc/10/28/34/553102834.db2.gz JUBIKBQKQWBCLW-IUODEOHRSA-N 1 0 375.332 2.718 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2ccccc2OC(F)(F)F)[C@@H](C)C1 ZINC000246159387 553103367 /nfs/dbraw/zinc/10/33/67/553103367.db2.gz LQROXMDOHVLUGR-QWHCGFSZSA-N 1 0 380.432 2.936 20 0 GFADRO CCN(C[C@@H]1CC[N@@H+]([C@H](C)C(=O)NCc2cccs2)C1)CC(F)(F)F ZINC000246208469 553104385 /nfs/dbraw/zinc/10/43/85/553104385.db2.gz NQHLRQPILVXFKR-KGLIPLIRSA-N 1 0 377.476 2.959 20 0 GFADRO C[C@H](Cn1cc(Br)cn1)[NH2+][C@H]1C[C@@H](C)N(c2ccccc2)C1=O ZINC000246586328 553110339 /nfs/dbraw/zinc/11/03/39/553110339.db2.gz YYYPXIBQFIYPON-IOASZLSFSA-N 1 0 377.286 2.818 20 0 GFADRO C[N@@H+]1CCC[C@@H]2CN([C@@H](C(N)=O)c3ccc(Br)cc3F)CC[C@@H]21 ZINC000246768236 553112990 /nfs/dbraw/zinc/11/29/90/553112990.db2.gz HZJPJCWOPIOBAW-XFBWCDHKSA-N 1 0 384.293 2.531 20 0 GFADRO C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@H+](C)C[C@H]1CCC[C@H]1O ZINC000246810962 553113228 /nfs/dbraw/zinc/11/32/28/553113228.db2.gz PVXPZGJVHRTQKK-FRFSOERESA-N 1 0 383.330 2.889 20 0 GFADRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Cc2cccc(I)c2)C1 ZINC000246816736 553113569 /nfs/dbraw/zinc/11/35/69/553113569.db2.gz SAVWTHXBJIAHAZ-GOEBONIOSA-N 1 0 398.288 2.776 20 0 GFADRO CS[C@H](CO)[C@H](C)NC(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000246846690 553114328 /nfs/dbraw/zinc/11/43/28/553114328.db2.gz HVQHYSDQNYORKE-IAOVAPTHSA-N 1 0 385.961 2.889 20 0 GFADRO COc1ccc(Br)cc1CC(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000246878653 553114760 /nfs/dbraw/zinc/11/47/60/553114760.db2.gz UUXHXNAIFBSBJZ-XJKSGUPXSA-N 1 0 381.314 2.943 20 0 GFADRO CC(C)Oc1cc(Br)ccc1C(=O)N1CCN(C[C@H](C)O)[C@@H](C)C1 ZINC000246925055 553115641 /nfs/dbraw/zinc/11/56/41/553115641.db2.gz YYSFZWBEFYMWSV-KBPBESRZSA-N 1 0 399.329 2.763 20 0 GFADRO O=C(CC[N@@H+]1CCO[C@@H]([C@H]2CCCO2)C1)Nc1ccccc1Br ZINC000247471404 553122992 /nfs/dbraw/zinc/12/29/92/553122992.db2.gz VGOVAMBIVHMTNT-HZPDHXFCSA-N 1 0 383.286 2.658 20 0 GFADRO CC[C@@H]1CN([C@H](C)C(=O)Nc2cccc(Br)c2)CC[N@@H+]1C[C@@H](C)O ZINC000247560162 553123848 /nfs/dbraw/zinc/12/38/48/553123848.db2.gz FXFLREBAURKDFV-CKEIUWERSA-N 1 0 398.345 2.553 20 0 GFADRO C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@H]2CCc3c2cccc3Br)C[C@H]1C ZINC000248699871 553133325 /nfs/dbraw/zinc/13/33/25/553133325.db2.gz ZKEXBQKHRRMGHC-IGCXYCKISA-N 1 0 396.329 2.533 20 0 GFADRO Cc1cc(Br)ccc1S(=O)(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000248720133 553133691 /nfs/dbraw/zinc/13/36/91/553133691.db2.gz OIGLUPYSJKAVLH-ZFWWWQNUSA-N 1 0 387.343 2.862 20 0 GFADRO CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2Cc3cc(Br)ccc3O2)C1 ZINC000248751160 553134483 /nfs/dbraw/zinc/13/44/83/553134483.db2.gz ONDHWVORMDVLRM-CXAGYDPISA-N 1 0 381.314 2.943 20 0 GFADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)[C@H]1C[C@H]1c1ccc(Br)cc1 ZINC000248778419 553135059 /nfs/dbraw/zinc/13/50/59/553135059.db2.gz WNRIPYRMRGFLST-JLSDUUJJSA-N 1 0 394.357 2.695 20 0 GFADRO Cc1cc(F)c(Br)cc1NC(=O)N1CC[N@@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000248976486 553138045 /nfs/dbraw/zinc/13/80/45/553138045.db2.gz DOJFBCARFMOTEU-RYUDHWBXSA-N 1 0 388.281 2.815 20 0 GFADRO COC(=O)c1ccc(Cl)cc1S(=O)(=O)N[C@@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000249110444 553139830 /nfs/dbraw/zinc/13/98/30/553139830.db2.gz RAQSCYRTAGNKJM-STQMWFEESA-N 1 0 388.917 2.525 20 0 GFADRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)Nc1nc(-c2cccs2)cs1 ZINC000249146276 553140231 /nfs/dbraw/zinc/14/02/31/553140231.db2.gz GJRBJZYGLOTIAF-WCQYABFASA-N 1 0 378.523 2.609 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2ccccc2Br)[C@@H](C)C1 ZINC000249234013 553140927 /nfs/dbraw/zinc/14/09/27/553140927.db2.gz VVGAQTXIEWBEGJ-SWLSCSKDSA-N 1 0 382.302 2.576 20 0 GFADRO CC(=O)NC[C@H]1CCC[N@H+](C[C@@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000249804828 553146198 /nfs/dbraw/zinc/14/61/98/553146198.db2.gz FENKLGDDEYWIFJ-UKRRQHHQSA-N 1 0 375.296 2.581 20 0 GFADRO C[C@H](CNS(=O)(=O)c1cc(Br)ccc1F)[N@@H+]1CCC[C@H](C)C1 ZINC000252203193 553148987 /nfs/dbraw/zinc/14/89/87/553148987.db2.gz UNSORCONDPLJFH-NWDGAFQWSA-N 1 0 393.322 2.987 20 0 GFADRO Brc1ccc(CN2CC[C@H]3CC[C@@H](C2)[NH2+]3)c(N2CCOCC2)c1 ZINC000261658850 553155925 /nfs/dbraw/zinc/15/59/25/553155925.db2.gz BNHLPXOYJWXNHX-SJORKVTESA-N 1 0 380.330 2.612 20 0 GFADRO Cc1cc(NC(=O)CN2CC[NH2+]C[C@@H]2c2cccnc2)ccc1Br ZINC000261701656 553156644 /nfs/dbraw/zinc/15/66/44/553156644.db2.gz JSUBTXYNJTYQNS-QGZVFWFLSA-N 1 0 389.297 2.738 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)N1C[C@@H](C[NH3+])C[C@@H]1C ZINC000261684371 553156871 /nfs/dbraw/zinc/15/68/71/553156871.db2.gz HZZDZJJNLWXZHJ-RRFJBIMHSA-N 1 0 384.567 2.547 20 0 GFADRO [NH3+]C[C@@H](NS(=O)(=O)c1c(Cl)cccc1Br)C1CCCC1 ZINC000261699243 553156933 /nfs/dbraw/zinc/15/69/33/553156933.db2.gz IJMOYYGHDHPRQW-GFCCVEGCSA-N 1 0 381.723 2.898 20 0 GFADRO COCC1(CNC(=O)[C@H](C)Oc2ccc(C)cc2Br)CC[NH2+]CC1 ZINC000261722316 553157342 /nfs/dbraw/zinc/15/73/42/553157342.db2.gz LQKUEDPSMXMQPH-AWEZNQCLSA-N 1 0 399.329 2.657 20 0 GFADRO Cc1cccc(C(=O)N2CCC3(CC[NH2+]C3)CC2)c1I ZINC000261740228 553158218 /nfs/dbraw/zinc/15/82/18/553158218.db2.gz IHGKRGFEECUPOL-UHFFFAOYSA-N 1 0 384.261 2.815 20 0 GFADRO C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000261763673 553158552 /nfs/dbraw/zinc/15/85/52/553158552.db2.gz JXHFCMSONNRPAQ-RWMBFGLXSA-N 1 0 384.307 2.570 20 0 GFADRO C[NH2+][C@@H](C)Cc1noc(-c2ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c2)n1 ZINC000261851123 553161352 /nfs/dbraw/zinc/16/13/52/553161352.db2.gz SUKLURKTOWNAHX-JTQLQIEISA-N 1 0 386.905 2.617 20 0 GFADRO O=C(N[C@H]1COc2c1ccc(Cl)c2Cl)C1(n2cccn2)CC[NH2+]CC1 ZINC000261929326 553162806 /nfs/dbraw/zinc/16/28/06/553162806.db2.gz LKRVZYVBZOIBFC-ZDUSSCGKSA-N 1 0 381.263 2.519 20 0 GFADRO [NH3+]C[C@H]1CC[C@@H](C(=O)Nc2cc(-c3cc(Br)ccc3Cl)[nH]n2)O1 ZINC000261921468 553163105 /nfs/dbraw/zinc/16/31/05/553163105.db2.gz YTWIJRCVBCTERY-RNCFNFMXSA-N 1 0 399.676 2.937 20 0 GFADRO [NH3+]CCC(=O)NC[C@H]1CCCCN1Cc1ccc(Br)cc1Cl ZINC000261995895 553164047 /nfs/dbraw/zinc/16/40/47/553164047.db2.gz KTYQAKGDSXGIHM-CQSZACIVSA-N 1 0 388.737 2.922 20 0 GFADRO C[NH2+]CCC1CCN(C(=O)[C@H](C)NC(=O)c2cccc(Cl)c2Cl)CC1 ZINC000261995172 553164230 /nfs/dbraw/zinc/16/42/30/553164230.db2.gz FJZZZNSONQDZGD-LBPRGKRZSA-N 1 0 386.323 2.960 20 0 GFADRO Brc1cc2c(cc1CN1CC[NH2+]C[C@@H]1c1ccncc1)OCO2 ZINC000262078020 553165088 /nfs/dbraw/zinc/16/50/88/553165088.db2.gz SSHWUONHJCPIGF-OAHLLOKOSA-N 1 0 376.254 2.719 20 0 GFADRO O=C(NC[C@@H]1CCCN(Cc2csc(Br)c2)C1)[C@H]1CCC[NH2+]1 ZINC000262085617 553166028 /nfs/dbraw/zinc/16/60/28/553166028.db2.gz HNXCSYZXVZLEIG-GXTWGEPZSA-N 1 0 386.359 2.591 20 0 GFADRO [NH3+]CCC(=O)NC[C@@H]1CCCCN1Cc1cc(Br)ccc1Cl ZINC000262148413 553166393 /nfs/dbraw/zinc/16/63/93/553166393.db2.gz ZSOBJHHYKRQSBP-AWEZNQCLSA-N 1 0 388.737 2.922 20 0 GFADRO Cc1cc(Br)cc2cc(C(=O)N3CC[C@@H](N4CC[NH2+]CC4)C3)oc21 ZINC000262152856 553166447 /nfs/dbraw/zinc/16/64/47/553166447.db2.gz ZBYJHYOKSKMOFE-OAHLLOKOSA-N 1 0 392.297 2.623 20 0 GFADRO C[C@H](C(=O)Nc1ccc(=O)n(Cc2ccc(Cl)c(Cl)c2)c1)C1C[NH2+]C1 ZINC000262300775 553168535 /nfs/dbraw/zinc/16/85/35/553168535.db2.gz ZYUNYKJLJSNLIH-NSHDSACASA-N 1 0 380.275 2.997 20 0 GFADRO C[C@@H](NC(=O)[C@H]1CC[NH2+][C@@H](C)C1)c1cc2c(cc1Br)OCCO2 ZINC000262416255 553170249 /nfs/dbraw/zinc/17/02/49/553170249.db2.gz PXTFQEVEOJVVDT-TUAOUCFPSA-N 1 0 383.286 2.786 20 0 GFADRO C[C@H](NC(=O)[C@H]1CC[NH2+][C@@H](C)C1)c1cc2c(cc1Br)OCCO2 ZINC000262416253 553170416 /nfs/dbraw/zinc/17/04/16/553170416.db2.gz PXTFQEVEOJVVDT-SRVKXCTJSA-N 1 0 383.286 2.786 20 0 GFADRO Cn1cc(Br)cc1C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000262445016 553170833 /nfs/dbraw/zinc/17/08/33/553170833.db2.gz DCYRQHFUEYQGLY-IUODEOHRSA-N 1 0 398.251 2.941 20 0 GFADRO O=C(NC1CC[NH2+]CC1)[C@@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000262511295 553172044 /nfs/dbraw/zinc/17/20/44/553172044.db2.gz NTPMJLGEWHTKCJ-CYBMUJFWSA-N 1 0 384.307 2.714 20 0 GFADRO C[NH2+][C@@H](C(=O)N1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1)c1cnn(C)c1 ZINC000262554150 553172621 /nfs/dbraw/zinc/17/26/21/553172621.db2.gz PEURQKHHPUUGBO-CZUORRHYSA-N 1 0 383.279 2.667 20 0 GFADRO CCCOc1c(Br)cc(C(=O)NCC[C@@H]2CC[NH2+]C2)cc1OC ZINC000262598760 553172940 /nfs/dbraw/zinc/17/29/40/553172940.db2.gz WHMXGNQBGFOGAX-LBPRGKRZSA-N 1 0 385.302 2.976 20 0 GFADRO O=C(NCc1cc(F)ccc1Br)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000262729728 553174589 /nfs/dbraw/zinc/17/45/89/553174589.db2.gz HVXUSRYJCZIZBA-CYBMUJFWSA-N 1 0 381.249 2.639 20 0 GFADRO C[C@@H](Cc1ccc(Br)cc1)NC(=O)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000262798379 553176169 /nfs/dbraw/zinc/17/61/69/553176169.db2.gz PALSKZCVYJAPGW-XJKSGUPXSA-N 1 0 391.313 2.931 20 0 GFADRO CN(Cc1ccc(Br)cc1)C(=O)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000262835710 553176827 /nfs/dbraw/zinc/17/68/27/553176827.db2.gz SMOHRVXRGSXQDK-OAHLLOKOSA-N 1 0 377.286 2.842 20 0 GFADRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)c1cc(Cl)ccc1I ZINC000262849703 553177437 /nfs/dbraw/zinc/17/74/37/553177437.db2.gz SCUNDDMXGFQBCM-PELKAZGASA-N 1 0 378.641 2.672 20 0 GFADRO CN(Cc1csc(Br)c1)C(=O)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000262868350 553177457 /nfs/dbraw/zinc/17/74/57/553177457.db2.gz XIDMANPWZWNIBX-GFCCVEGCSA-N 1 0 383.315 2.904 20 0 GFADRO Cc1c(C(=O)N[C@H]2CC[NH2+]C[C@H]2C)cnn1-c1ccc(Br)cc1 ZINC000262871296 553177611 /nfs/dbraw/zinc/17/76/11/553177611.db2.gz VBSOMRKPZABQOG-BZNIZROVSA-N 1 0 377.286 2.671 20 0 GFADRO COC(=O)[C@H](NC(=O)CCC1CC[NH2+]CC1)c1ccc(Br)cc1 ZINC000263197050 553184427 /nfs/dbraw/zinc/18/44/27/553184427.db2.gz INRKYLGUGJUCOW-MRXNPFEDSA-N 1 0 383.286 2.559 20 0 GFADRO COC(=O)CSCCC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000263722680 553192387 /nfs/dbraw/zinc/19/23/87/553192387.db2.gz CQFSTGZQCKZMQE-UHFFFAOYSA-N 1 0 384.929 2.717 20 0 GFADRO C[N@H+](CCCCNS(=O)(=O)c1ccc(Br)cc1F)C1CC1 ZINC000416508102 563840548 /nfs/dbraw/zinc/84/05/48/563840548.db2.gz QMZOLIDXPPUJQP-UHFFFAOYSA-N 1 0 379.295 2.741 20 0 GFADRO COCCOC[C@H](O)C[NH2+][C@@H]1c2cc(Br)ccc2SC[C@@H]1C ZINC000564845627 564251227 /nfs/dbraw/zinc/25/12/27/564251227.db2.gz ZPYSMLICZYRTBI-GHJWDPDVSA-N 1 0 390.343 2.846 20 0 GFADRO CS[C@H]1CN(S(=O)(=O)c2ccc(Cl)c(F)c2Cl)C[C@H]1[NH+](C)C ZINC000473935600 564258643 /nfs/dbraw/zinc/25/86/43/564258643.db2.gz BRRZRJUBRQWGSS-ZJUUUORDSA-N 1 0 387.329 2.799 20 0 GFADRO COCCSCCCN1CCC(O)(c2scnc2Br)CC1 ZINC000369701856 563221645 /nfs/dbraw/zinc/22/16/45/563221645.db2.gz GQDDCMKXGDTLFH-UHFFFAOYSA-N 1 0 395.388 2.959 20 0 GFADRO [NH3+]C[C@@H]1CC[C@@H](NS(=O)(=O)c2cc(Cl)c(Br)cc2F)C1 ZINC000420463891 563264219 /nfs/dbraw/zinc/26/42/19/563264219.db2.gz WWSPTXWFLOVHLR-HTQZYQBOSA-N 1 0 385.686 2.647 20 0 GFADRO C[C@@H]1CCN(S(=O)(=O)c2ccc(Br)c(Cl)c2)C[C@@H]1C[NH3+] ZINC000420479702 563265895 /nfs/dbraw/zinc/26/58/95/563265895.db2.gz NLFZXXIJIKYZMP-ZJUUUORDSA-N 1 0 381.723 2.708 20 0 GFADRO Cc1nc(CNC(=O)NC2CCC([NH+](C)C)CC2)sc1Br ZINC000420848611 563288194 /nfs/dbraw/zinc/28/81/94/563288194.db2.gz RXWPUHJAKGZXBS-UHFFFAOYSA-N 1 0 375.336 2.886 20 0 GFADRO CC(C)(C[NH+]1CCCC1)NC(=O)c1ccc(I)c(O)c1 ZINC000308702304 563435243 /nfs/dbraw/zinc/43/52/43/563435243.db2.gz WCOBUEUWUOLXDY-UHFFFAOYSA-N 1 0 388.249 2.601 20 0 GFADRO CC1(C)Cc2ccc(Br)cc2[C@@H]1[NH2+]CCN1CCCS1(=O)=O ZINC000429296368 563513792 /nfs/dbraw/zinc/51/37/92/563513792.db2.gz BYBYKOHQWWXDMQ-HNNXBMFYSA-N 1 0 387.343 2.698 20 0 GFADRO O=c1cccc2n1C[C@H]1C[C@@H]2C[N@H+](Cc2cc(O)ccc2Br)C1 ZINC000294677448 563212607 /nfs/dbraw/zinc/21/26/07/563212607.db2.gz BFVGSJWOKZWPMQ-GXTWGEPZSA-N 1 0 375.266 2.936 20 0 GFADRO C[C@]1(C[NH3+])CCN(C(=O)NCCc2c[nH]c3cccc(Br)c23)C1 ZINC000418205439 563213561 /nfs/dbraw/zinc/21/35/61/563213561.db2.gz ZBMHFQOFACTGON-QGZVFWFLSA-N 1 0 379.302 2.853 20 0 GFADRO O=C(NCCc1c[nH]c2cccc(Br)c12)NCC[C@@H]1CC[NH2+]C1 ZINC000418205035 563213613 /nfs/dbraw/zinc/21/36/13/563213613.db2.gz YNKNCDZOJIEZSH-LBPRGKRZSA-N 1 0 379.302 2.772 20 0 GFADRO [NH3+]CC[C@H](NC(=O)N[C@H]1CCc2c1ccc(F)c2Br)C(F)F ZINC000418244309 563214844 /nfs/dbraw/zinc/21/48/44/563214844.db2.gz CQNHSVZJTDGLKD-QWRGUYRKSA-N 1 0 380.208 2.857 20 0 GFADRO O=C(NCCN1CC[NH2+]CC1)N1CCC(c2cccc(Cl)c2Cl)CC1 ZINC000418307354 563215564 /nfs/dbraw/zinc/21/55/64/563215564.db2.gz SMTHZIPKLVGGHY-UHFFFAOYSA-N 1 0 385.339 2.788 20 0 GFADRO O=C(NC1CC[NH2+]CC1)N1CCC(Nc2cccc(Br)c2)CC1 ZINC000418311691 563215760 /nfs/dbraw/zinc/21/57/60/563215760.db2.gz RJZDRXCKSWPPSH-UHFFFAOYSA-N 1 0 381.318 2.787 20 0 GFADRO O=C(N[C@@H]1CCC[NH2+]C1)N1CCC[C@H]1c1ccccc1I ZINC000418389675 563216468 /nfs/dbraw/zinc/21/64/68/563216468.db2.gz WPXLAVLGOZBIOO-DOMZBBRYSA-N 1 0 399.276 2.890 20 0 GFADRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)NC[C@@H](O)COc1cccc(Cl)c1Cl ZINC000418414384 563217283 /nfs/dbraw/zinc/21/72/83/563217283.db2.gz RSFZPUVTDFPBIM-SCRDCRAPSA-N 1 0 390.311 2.550 20 0 GFADRO [NH3+]CCCCNC(=O)N1CCC(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000418509992 563218451 /nfs/dbraw/zinc/21/84/51/563218451.db2.gz NBWHEFUWIRWWJE-UHFFFAOYSA-N 1 0 397.317 2.548 20 0 GFADRO COCC[NH2+]CCNC(=O)N1CCC[C@H]1c1cc(F)cc(Br)c1 ZINC000418504369 563218467 /nfs/dbraw/zinc/21/84/67/563218467.db2.gz BNVPCKDVQFFJHN-HNNXBMFYSA-N 1 0 388.281 2.671 20 0 GFADRO CC1(CNC(=O)N2CCN(c3cccc(Br)c3)CC2)CC[NH2+]CC1 ZINC000418516815 563219648 /nfs/dbraw/zinc/21/96/48/563219648.db2.gz KAQRCVKVNQHQTF-UHFFFAOYSA-N 1 0 395.345 2.670 20 0 GFADRO Cc1nn(C)c(CN2CCC[C@H]2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1Br ZINC000369627597 563219686 /nfs/dbraw/zinc/21/96/86/563219686.db2.gz GFURRUTVRADLBA-GUTXKFCHSA-N 1 0 385.350 2.565 20 0 GFADRO C[C@H]1C[N@H+](CCCNCc2cnc3ccc(Br)cn23)CCCO1 ZINC000277669036 563220147 /nfs/dbraw/zinc/22/01/47/563220147.db2.gz GAJGRIXXJQHGQI-AWEZNQCLSA-N 1 0 381.318 2.687 20 0 GFADRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N1CCO[C@H](c2cccc(Br)c2)C1 ZINC000418582655 563220314 /nfs/dbraw/zinc/22/03/14/563220314.db2.gz AFJAUEUSIMMVIP-KCXAZCMYSA-N 1 0 382.302 2.530 20 0 GFADRO [NH3+]C[C@H](NC(=O)NC[C@H](O)COc1cccc(Cl)c1Cl)C1CCCC1 ZINC000418631601 563221598 /nfs/dbraw/zinc/22/15/98/563221598.db2.gz YFRWBTDQXQWYMM-JSGCOSHPSA-N 1 0 390.311 2.550 20 0 GFADRO COC[C@@]1(CNC(=O)N(C)[C@@H](C)c2ccccc2Br)CCC[NH2+]1 ZINC000418658647 563222109 /nfs/dbraw/zinc/22/21/09/563222109.db2.gz UJJFFMLKXCZQNP-GUYCJALGSA-N 1 0 384.318 2.920 20 0 GFADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)Nc1cc(F)cc(Br)c1F ZINC000369721972 563222638 /nfs/dbraw/zinc/22/26/38/563222638.db2.gz HWUQGCFWSXWJPT-QWRGUYRKSA-N 1 0 390.228 2.712 20 0 GFADRO CN(CCOc1ccc(Br)cc1)C(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000418735516 563223237 /nfs/dbraw/zinc/22/32/37/563223237.db2.gz WOTQJHYPDJGYRR-UKRRQHHQSA-N 1 0 384.318 2.987 20 0 GFADRO C[C@H](NC(=O)c1c(Br)cnn1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000294964516 563223959 /nfs/dbraw/zinc/22/39/59/563223959.db2.gz LGQYYUIGDRDSOS-DZGCQCFKSA-N 1 0 391.313 2.823 20 0 GFADRO CN(Cc1cc(Br)ccc1F)C(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000418742877 563224531 /nfs/dbraw/zinc/22/45/31/563224531.db2.gz CLNXMWXIZPHURX-GFCCVEGCSA-N 1 0 380.208 2.727 20 0 GFADRO CC(C)C[C@@](C)(NC(=O)NC[C@@H]1C[NH2+]CCO1)c1cccc(Br)c1 ZINC000418768098 563225034 /nfs/dbraw/zinc/22/50/34/563225034.db2.gz ORAJBWCIYWBBLI-FUHWJXTLSA-N 1 0 398.345 2.998 20 0 GFADRO CCCN(C(=O)NC[C@@H]1C[NH2+]CCN1C)[C@H](C)c1ccccc1Br ZINC000418766879 563225247 /nfs/dbraw/zinc/22/52/47/563225247.db2.gz QIFYCPRXGUOBIO-CABCVRRESA-N 1 0 397.361 2.835 20 0 GFADRO C[C@H](Cn1cc(Br)cn1)[NH2+]CCc1cnc2c(Cl)cnn2c1 ZINC000295058384 563227705 /nfs/dbraw/zinc/22/77/05/563227705.db2.gz GIZWADNRRIXXOS-SNVBAGLBSA-N 1 0 383.681 2.563 20 0 GFADRO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N[C@@H](C)c1cc(F)c(Cl)cc1Cl ZINC000418856962 563227794 /nfs/dbraw/zinc/22/77/94/563227794.db2.gz XYKAAIVWQPCUEK-UWVGGRQHSA-N 1 0 378.275 2.799 20 0 GFADRO C[C@H](NC(=O)C(=O)NC1CCC([NH3+])CC1)c1cc(F)c(Cl)cc1Cl ZINC000418854740 563227833 /nfs/dbraw/zinc/22/78/33/563227833.db2.gz TZEGJNLUUJFAOL-IDKOKCKLSA-N 1 0 376.259 2.696 20 0 GFADRO CC[NH+](CC)[C@@H](CNC(=O)c1c(Br)cnn1C)Cc1ccccc1 ZINC000295069673 563227946 /nfs/dbraw/zinc/22/79/46/563227946.db2.gz QYODXWZUPSAMBS-OAHLLOKOSA-N 1 0 393.329 2.866 20 0 GFADRO C[C@H]1CN(C(=O)C(=O)N[C@H]2C[C@H](c3ccc(Cl)c(Cl)c3)C2)C[C@H](C)[NH2+]1 ZINC000418891916 563229726 /nfs/dbraw/zinc/22/97/26/563229726.db2.gz MQOOTKVNTKGAPW-IMIFBBOLSA-N 1 0 384.307 2.564 20 0 GFADRO Cn1cc([C@@H](NC(=O)NC[C@@H](c2cccs2)[NH+](C)C)C(F)(F)F)cn1 ZINC000277878824 563230097 /nfs/dbraw/zinc/23/00/97/563230097.db2.gz BIKDASFOCMBLNL-WCQYABFASA-N 1 0 375.420 2.687 20 0 GFADRO CCC[NH2+]CCNC(=O)C(=O)N[C@H](c1ccc(Br)cc1)C1CCC1 ZINC000418945917 563230805 /nfs/dbraw/zinc/23/08/05/563230805.db2.gz NQMBGYBBCGYAKS-INIZCTEOSA-N 1 0 396.329 2.522 20 0 GFADRO C[C@@H]1C[N@H+](CCCNC(=O)Cc2sccc2Br)CCCO1 ZINC000295158577 563231639 /nfs/dbraw/zinc/23/16/39/563231639.db2.gz OMFCHSPBXDPJOZ-GFCCVEGCSA-N 1 0 375.332 2.670 20 0 GFADRO C[C@H](NC(=O)C(=O)NCCCc1ccc(Cl)cc1Cl)[C@@H]1CCC[NH2+]C1 ZINC000419043239 563232663 /nfs/dbraw/zinc/23/26/63/563232663.db2.gz QXTOYSKFMYFBKR-GXTWGEPZSA-N 1 0 386.323 2.547 20 0 GFADRO Cn1cc([C@@H]2C[N@H+](Cc3ccnc(Br)c3)CC23CCOCC3)cn1 ZINC000295172101 563233159 /nfs/dbraw/zinc/23/31/59/563233159.db2.gz QFGMDDLIVKAOHO-INIZCTEOSA-N 1 0 391.313 2.974 20 0 GFADRO [NH3+]CC[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CCSc3ccc(Cl)cc32)C1 ZINC000419223700 563235242 /nfs/dbraw/zinc/23/52/42/563235242.db2.gz YTEWILZGHCHNRA-WFASDCNBSA-N 1 0 381.929 2.581 20 0 GFADRO CC(C)(CNC(=O)C(=O)NCC[C@@H]1CC[NH2+]C1)c1ccc(Cl)c(Cl)c1 ZINC000419367362 563239151 /nfs/dbraw/zinc/23/91/51/563239151.db2.gz WXBAWWZKCPTXKR-LBPRGKRZSA-N 1 0 386.323 2.503 20 0 GFADRO C[C@@H](Oc1ccc(F)cc1Br)C(=O)N[C@H]1CCc2[nH]cnc2C1 ZINC000370340890 563240247 /nfs/dbraw/zinc/24/02/47/563240247.db2.gz MNGDUBKAPDIXPG-KOLCDFICSA-N 1 0 382.233 2.752 20 0 GFADRO C[C@@H]1CN(C(=O)NCc2nc3cc(Cl)ccc3s2)[C@@H](C)C[N@@H+]1CCO ZINC000419448124 563240449 /nfs/dbraw/zinc/24/04/49/563240449.db2.gz XBYCNOSYEPMVNU-NEPJUHHUSA-N 1 0 382.917 2.546 20 0 GFADRO CCCOc1c(Br)cc(C[NH2+][C@]2(CCO)CCOC2)cc1OC ZINC000278112468 563240919 /nfs/dbraw/zinc/24/09/19/563240919.db2.gz BOVOBZQFDJYACQ-QGZVFWFLSA-N 1 0 388.302 2.878 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)NC[C@@H](C)c1c(Cl)cccc1Cl ZINC000419517938 563241323 /nfs/dbraw/zinc/24/13/23/563241323.db2.gz MZDBOGTVWITVNF-JMSVASOKSA-N 1 0 386.323 2.941 20 0 GFADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1CNCCC[NH+]1CCCC1 ZINC000295391847 563245259 /nfs/dbraw/zinc/24/52/59/563245259.db2.gz LJPKTVLFOHJDRV-CQSZACIVSA-N 1 0 398.345 2.538 20 0 GFADRO C[NH+](C)C/C=C/C(=O)NCc1ccc(Cl)cc1I ZINC000278314932 563249993 /nfs/dbraw/zinc/24/99/93/563249993.db2.gz KJPBLLPSSPOANK-ONEGZZNKSA-N 1 0 378.641 2.679 20 0 GFADRO O=S(=O)(c1cccs1)N1CCC([NH2+]CCCNc2ccccc2)CC1 ZINC000370623706 563250246 /nfs/dbraw/zinc/25/02/46/563250246.db2.gz BCUPLLSZKHWOER-UHFFFAOYSA-N 1 0 379.551 2.993 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)[C@@H](c2ccc(Cl)cc2Cl)N2CCOCC2)CC[NH2+]1 ZINC000278349343 563251083 /nfs/dbraw/zinc/25/10/83/563251083.db2.gz YWXKGWGYMLMGAY-HACGYAERSA-N 1 0 386.323 2.623 20 0 GFADRO CCC[C@@H](O)[C@@H](CO)[NH2+]Cc1ccc(Br)c(Br)c1 ZINC000419813651 563251432 /nfs/dbraw/zinc/25/14/32/563251432.db2.gz ITMFSSUYBFSRHF-CHWSQXEVSA-N 1 0 381.108 2.823 20 0 GFADRO COCCO[C@@H]1C[C@H](CO)C[N@H+](CCOc2ccc(Cl)cc2Cl)C1 ZINC000278358199 563251450 /nfs/dbraw/zinc/25/14/50/563251450.db2.gz RDCGLLXYHUYXQR-DZGCQCFKSA-N 1 0 378.296 2.718 20 0 GFADRO O=C(Nc1cccc(Br)c1)C(=O)N1CCC([NH2+]C2CCCC2)CC1 ZINC000370707770 563252957 /nfs/dbraw/zinc/25/29/57/563252957.db2.gz ORZUQTYCWZMTCM-UHFFFAOYSA-N 1 0 394.313 2.911 20 0 GFADRO CS[C@H](CO)[C@@H](C)NC(=O)C1CC[NH+](Cc2ccc(Cl)s2)CC1 ZINC000370735595 563253992 /nfs/dbraw/zinc/25/39/92/563253992.db2.gz WGWOWKFHBACDFG-BXUZGUMPSA-N 1 0 376.975 2.842 20 0 GFADRO O=C(Cc1cccc(Br)c1)NC[C@@H]1CCC[C@H]1[NH+]1CCOCC1 ZINC000370752703 563254128 /nfs/dbraw/zinc/25/41/28/563254128.db2.gz HRTWSVKZNDQEME-DOTOQJQBSA-N 1 0 381.314 2.609 20 0 GFADRO O=C(NC[C@H]1CCC[C@@H]1[NH+]1CCOCC1)c1cc(F)ccc1Br ZINC000370761139 563254833 /nfs/dbraw/zinc/25/48/33/563254833.db2.gz VFKQNRFDHXRDQR-WBMJQRKESA-N 1 0 385.277 2.819 20 0 GFADRO O=C(C[C@@H]1Sc2ccc(Cl)cc2NC1=O)N(C1CC1)C1CC[NH2+]CC1 ZINC000370793769 563255426 /nfs/dbraw/zinc/25/54/26/563255426.db2.gz QEPKFCQDWAJBSJ-INIZCTEOSA-N 1 0 379.913 2.886 20 0 GFADRO COCC[NH+]1CCC(NC(=O)c2c(F)ccc(Br)c2F)CC1 ZINC000278444720 563255629 /nfs/dbraw/zinc/25/56/29/563255629.db2.gz MDXZVWYPXNUWKJ-UHFFFAOYSA-N 1 0 377.229 2.568 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2S(=O)(=O)c1cccc(Cl)c1Cl ZINC000370848320 563258565 /nfs/dbraw/zinc/25/85/65/563258565.db2.gz YMJKKMPSTFHQBR-MRVWCRGKSA-N 1 0 393.336 2.866 20 0 GFADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)Cc1cc(F)ccc1Br ZINC000278490098 563258730 /nfs/dbraw/zinc/25/87/30/563258730.db2.gz LYIZPDUWKBLZEG-CYBMUJFWSA-N 1 0 399.304 2.842 20 0 GFADRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)N(Cc1ccc(Cl)c(Cl)c1)C1CC1 ZINC000420117250 563258804 /nfs/dbraw/zinc/25/88/04/563258804.db2.gz HSOHQEHDTOELLP-MEDUHNTESA-N 1 0 384.307 2.599 20 0 GFADRO CC(C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000420110330 563259074 /nfs/dbraw/zinc/25/90/74/563259074.db2.gz FNHARAMKKFOCNN-MLGOLLRUSA-N 1 0 386.323 2.845 20 0 GFADRO COc1cc(C(F)(F)F)cc(S(=O)(=O)N(C)CC2CC[NH+](C)CC2)c1 ZINC000295716294 563259594 /nfs/dbraw/zinc/25/95/94/563259594.db2.gz NQPCKTCGXVUKIU-UHFFFAOYSA-N 1 0 380.432 2.676 20 0 GFADRO CC(C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000420183697 563259586 /nfs/dbraw/zinc/25/95/86/563259586.db2.gz AATSOCLDKABYIJ-OCCSQVGLSA-N 1 0 386.323 2.974 20 0 GFADRO Cc1cc(Br)oc1C(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cnn(C)c1 ZINC000370911111 563259733 /nfs/dbraw/zinc/25/97/33/563259733.db2.gz LBTWEMCTLKUXRR-DOMZBBRYSA-N 1 0 395.301 2.897 20 0 GFADRO C[C@@H]1c2c(Cl)cc(Cl)cc2CCN1C(=O)C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000420189093 563259747 /nfs/dbraw/zinc/25/97/47/563259747.db2.gz FVABISUZFWKREZ-JTNHKYCSSA-N 1 0 384.307 2.683 20 0 GFADRO CC[NH2+][C@H](C)CNC(=O)C(=O)N1CCC(Sc2ccc(Cl)cc2)CC1 ZINC000420161560 563259784 /nfs/dbraw/zinc/25/97/84/563259784.db2.gz WEIIAGXQIPFTGZ-CYBMUJFWSA-N 1 0 383.945 2.537 20 0 GFADRO Cn1cc([C@H]2[C@H](CNC(=O)c3cc(Cl)c(Cl)n3C)CCC[N@@H+]2C)cn1 ZINC000370919856 563260001 /nfs/dbraw/zinc/26/00/01/563260001.db2.gz YIEAYKOLNDTSJX-XHDPSFHLSA-N 1 0 384.311 2.878 20 0 GFADRO C[C@H](N[C@@H]1[C@@H](C)CC[NH2+][C@H]1C)C(=O)N(C)Cc1ccc(Br)cc1 ZINC000420374703 563263161 /nfs/dbraw/zinc/26/31/61/563263161.db2.gz SFBUAOUIIKFHSJ-AYMQEEERSA-N 1 0 382.346 2.772 20 0 GFADRO Cc1c(Br)cccc1S(=O)(=O)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420464397 563264315 /nfs/dbraw/zinc/26/43/15/563264315.db2.gz OZOJPTAHMCTFPU-HIFRSBDPSA-N 1 0 387.343 2.910 20 0 GFADRO COc1ccc(S(=O)(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)cc1Cl ZINC000420466762 563264322 /nfs/dbraw/zinc/26/43/22/563264322.db2.gz BLOPXDVYBRPVKZ-GOEBONIOSA-N 1 0 384.860 2.603 20 0 GFADRO C[C@H]1OCC[C@]1(O)C[NH2+]C1CCN(Cc2ccccc2Br)CC1 ZINC000278656186 563265005 /nfs/dbraw/zinc/26/50/05/563265005.db2.gz MSBKHCGDZJCXTB-KDOFPFPSSA-N 1 0 383.330 2.543 20 0 GFADRO O=S(=O)(c1ccc(F)c(Br)c1)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420471646 563265058 /nfs/dbraw/zinc/26/50/58/563265058.db2.gz YICYMLDFZQFSAW-XHDPSFHLSA-N 1 0 391.306 2.741 20 0 GFADRO [NH3+][C@@H]1CN(S(=O)(=O)c2ccccc2Br)C[C@H]1c1cccc(F)c1 ZINC000420473383 563265122 /nfs/dbraw/zinc/26/51/22/563265122.db2.gz VGFXMCYIVAZAJR-DZGCQCFKSA-N 1 0 399.285 2.704 20 0 GFADRO Cn1c(Cl)cnc1CN1CCC[N@H+](C[C@@H](O)c2cccc(Cl)c2)CC1 ZINC000371103284 563265178 /nfs/dbraw/zinc/26/51/78/563265178.db2.gz BCGKVFZFFAJADU-MRXNPFEDSA-N 1 0 383.323 2.968 20 0 GFADRO CCCN(CC(=O)N(C)C)C(=O)C1CC[NH+](Cc2ccc(Cl)s2)CC1 ZINC000371199552 563268320 /nfs/dbraw/zinc/26/83/20/563268320.db2.gz ULVUCHOKGATWIQ-UHFFFAOYSA-N 1 0 385.961 2.940 20 0 GFADRO C[NH+](C)C1(CNS(=O)(=O)c2cc(F)ccc2OC(F)F)CCCCC1 ZINC000420639822 563268752 /nfs/dbraw/zinc/26/87/52/563268752.db2.gz AIFLVCRFQGEQFK-UHFFFAOYSA-N 1 0 380.432 2.970 20 0 GFADRO C[C@H](C[NH+]1CCC([C@@]2(C)NC(=O)NC2=O)CC1)c1cccc(Br)c1 ZINC000371331315 563273265 /nfs/dbraw/zinc/27/32/65/563273265.db2.gz GQCHHHVPFCGSDV-KZULUSFZSA-N 1 0 394.313 2.863 20 0 GFADRO CC1CC[NH+](CC2CCN(C(=O)c3cc(S(C)(=O)=O)cs3)CC2)CC1 ZINC000371338956 563273354 /nfs/dbraw/zinc/27/33/54/563273354.db2.gz KEVUWBHOTVSLCZ-UHFFFAOYSA-N 1 0 384.567 2.736 20 0 GFADRO C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1[NH2+]Cc1c(Br)cnn1C ZINC000278858588 563273718 /nfs/dbraw/zinc/27/37/18/563273718.db2.gz XRWZPDKMQZAEGU-WCQYABFASA-N 1 0 387.322 2.918 20 0 GFADRO Cc1sc2c(cccc2C)c1S(=O)(=O)NCC1([NH+](C)C)CCOCC1 ZINC000420681349 563273770 /nfs/dbraw/zinc/27/37/70/563273770.db2.gz RYTWMWUZPJORIO-UHFFFAOYSA-N 1 0 382.551 2.907 20 0 GFADRO CN(C)C(=O)c1ccc(C[NH2+][C@H]2CCN(c3cccc(Br)c3)C2)[nH]1 ZINC000278847911 563273921 /nfs/dbraw/zinc/27/39/21/563273921.db2.gz WTUGEVLCEXJTOK-HNNXBMFYSA-N 1 0 391.313 2.848 20 0 GFADRO Cc1ccc(F)c(C(=O)N[C@@H](C)CC[NH+]2CCN(C)CC2)c1Br ZINC000278861378 563274541 /nfs/dbraw/zinc/27/45/41/563274541.db2.gz ULKHKVCNPFFVPS-ZDUSSCGKSA-N 1 0 386.309 2.652 20 0 GFADRO C[NH+]1CCC2(CCCN2S(=O)(=O)c2cc(F)ccc2OC(F)F)CC1 ZINC000420690970 563274782 /nfs/dbraw/zinc/27/47/82/563274782.db2.gz PWXCBLVIBXPHBO-UHFFFAOYSA-N 1 0 378.416 2.676 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1nc(C2CCC2)cs1)c1cccs1 ZINC000278918004 563276316 /nfs/dbraw/zinc/27/63/16/563276316.db2.gz REOBHTSGCLELPD-ZDUSSCGKSA-N 1 0 378.523 2.830 20 0 GFADRO Cc1cc(Br)c(F)cc1NC(=O)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000296167306 563276587 /nfs/dbraw/zinc/27/65/87/563276587.db2.gz LWSZUDNYGNVIQM-YOGCLGLASA-N 1 0 398.276 2.577 20 0 GFADRO CN(Cc1ncc(Cl)n1C)C(=O)NC[C@@H]1CC[N@H+](C)[C@@H]1c1cccs1 ZINC000371497257 563279068 /nfs/dbraw/zinc/27/90/68/563279068.db2.gz OHXXVABESOBIKS-LRDDRELGSA-N 1 0 381.933 2.969 20 0 GFADRO COc1ccc(S(=O)(=O)N2CC[C@@H]3CC[N@H+](C)[C@@H]3C2)c(Cl)c1Cl ZINC000371506434 563279925 /nfs/dbraw/zinc/27/99/25/563279925.db2.gz RIBREBCNWZGTMB-WDEREUQCSA-N 1 0 379.309 2.717 20 0 GFADRO O=S1(=O)CC[C@]2(C1)C[C@@H]([NH2+]Cc1cnc(-c3cccs3)s1)CCO2 ZINC000371509484 563279946 /nfs/dbraw/zinc/27/99/46/563279946.db2.gz PPPAEPGGLIBCNY-BLLLJJGKSA-N 1 0 384.548 2.698 20 0 GFADRO O=C(NCC1CC[NH+](C2CC2)CC1)[C@H]1COc2ccc(Br)cc21 ZINC000279077233 563283352 /nfs/dbraw/zinc/28/33/52/563283352.db2.gz PCOUWGROHQPEEE-INIZCTEOSA-N 1 0 379.298 2.916 20 0 GFADRO CC[NH+](CC)CCSCC(=O)Nc1nnc2ccc(Br)cn21 ZINC000296330696 563283956 /nfs/dbraw/zinc/28/39/56/563283956.db2.gz SIFGCCPMAQYDTN-UHFFFAOYSA-N 1 0 386.319 2.505 20 0 GFADRO C[C@@H](CNC(=O)N(C)C[C@H]1CCC[N@@H+]1C)Oc1cccc(Br)c1 ZINC000420787353 563285476 /nfs/dbraw/zinc/28/54/76/563285476.db2.gz CDQJHOYDBXQXRM-DZGCQCFKSA-N 1 0 384.318 2.952 20 0 GFADRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)NCc1cc(F)c(F)cc1Br ZINC000420866991 563288806 /nfs/dbraw/zinc/28/88/06/563288806.db2.gz QEWUQWRRHABDLL-LLVKDONJSA-N 1 0 376.245 2.963 20 0 GFADRO C[NH+](C)C1CCC(NC(=O)Nc2ccc(NS(C)(=O)=O)c(Cl)c2)CC1 ZINC000421060180 563295122 /nfs/dbraw/zinc/29/51/22/563295122.db2.gz KINQGKBEJXPBSR-UHFFFAOYSA-N 1 0 388.921 2.706 20 0 GFADRO Cc1nc(CN2CCC[C@@H]([NH2+]Cc3cc(O)ccc3Br)C2)no1 ZINC000372106240 563295909 /nfs/dbraw/zinc/29/59/09/563295909.db2.gz WZQKENZKRSTSSL-CYBMUJFWSA-N 1 0 381.274 2.600 20 0 GFADRO CC[NH+]1CCC(N(C(=O)c2cc(Br)c(C)[nH]c2=O)C2CC2)CC1 ZINC000372296897 563301171 /nfs/dbraw/zinc/30/11/71/563301171.db2.gz SWPTWKWJTHAQJQ-UHFFFAOYSA-N 1 0 382.302 2.947 20 0 GFADRO O=C(COc1cccc(Br)c1)N1CCC[N@@H+](C2CCOCC2)CC1 ZINC000372398355 563304707 /nfs/dbraw/zinc/30/47/07/563304707.db2.gz MVHCBGPDHDBGGG-UHFFFAOYSA-N 1 0 397.313 2.541 20 0 GFADRO Brc1ccc(-c2nccc(C[N@@H+]3CC[C@H](n4cncn4)C3)n2)cc1 ZINC000372470377 563307890 /nfs/dbraw/zinc/30/78/90/563307890.db2.gz ACFVZLGZFGYKRY-INIZCTEOSA-N 1 0 385.269 2.945 20 0 GFADRO Ic1cccc(OCCC[N@@H+]2CC[C@@H](n3cncn3)C2)c1 ZINC000372483518 563307979 /nfs/dbraw/zinc/30/79/79/563307979.db2.gz VGCWWOZOVPZQCT-CQSZACIVSA-N 1 0 398.248 2.599 20 0 GFADRO C[NH+](C)CCn1c(=O)oc2ccc(NCc3ncc(Br)s3)cc21 ZINC000421350918 563308979 /nfs/dbraw/zinc/30/89/79/563308979.db2.gz ZAVSNOULSHVBGD-UHFFFAOYSA-N 1 0 397.298 2.987 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2S(=O)(=O)/C=C/c1cccc(Cl)c1 ZINC000372510207 563309575 /nfs/dbraw/zinc/30/95/75/563309575.db2.gz AJUQVJKJMWDKJW-NCOFVZRBSA-N 1 0 384.929 2.824 20 0 GFADRO O=S(=O)(C[C@H](O)C[NH2+][C@@H]1CCCc2nc(Cl)ccc21)c1cccs1 ZINC000297005798 563312391 /nfs/dbraw/zinc/31/23/91/563312391.db2.gz SYWZWNQJISJQBR-DGCLKSJQSA-N 1 0 386.926 2.598 20 0 GFADRO COc1ccc(Br)c(CC(=O)N2CCCC3(CC[NH2+]CC3)C2)c1 ZINC000372614447 563312738 /nfs/dbraw/zinc/31/27/38/563312738.db2.gz WPOVPINHXBHEKL-UHFFFAOYSA-N 1 0 381.314 2.992 20 0 GFADRO CC(C)n1ncc2c1C[C@@H]([NH2+][C@H](C(N)=O)c1ccc(Br)cc1)CC2 ZINC000372790794 563318095 /nfs/dbraw/zinc/31/80/95/563318095.db2.gz PHUVFRAKKXFKHL-RDJZCZTQSA-N 1 0 391.313 2.900 20 0 GFADRO C[NH+](C)C1CCC(NC(=O)[C@@H]2CC(=O)Nc3ccc(Br)cc32)CC1 ZINC000421681504 563318896 /nfs/dbraw/zinc/31/88/96/563318896.db2.gz XVYPDIGTPLHFFF-SSDMNJCBSA-N 1 0 394.313 2.864 20 0 GFADRO C[C@@H]([NH2+][C@@H](C)Cn1ccnc1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000280038537 563319878 /nfs/dbraw/zinc/31/98/78/563319878.db2.gz IRPCJMUBFJLVSN-VHSXEESVSA-N 1 0 377.297 2.577 20 0 GFADRO Cn1cc(Br)cc1C(=O)N1CC[C@H](c2ccc(F)cc2)[C@H]([NH3+])C1 ZINC000297272768 563321793 /nfs/dbraw/zinc/32/17/93/563321793.db2.gz SQRLPLMKYSVWEB-HUUCEWRRSA-N 1 0 380.261 2.884 20 0 GFADRO C[C@@H](NC[C@H](C)[N@H+](C)C1CC1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000280093788 563322448 /nfs/dbraw/zinc/32/24/48/563322448.db2.gz MPYZVDZBVGMZRU-VHSXEESVSA-N 1 0 380.341 2.774 20 0 GFADRO COc1cc(Cl)ccc1[C@@H](C)[NH2+]C[C@@H]1CCCCN1S(=O)(=O)N(C)C ZINC000421851544 563323206 /nfs/dbraw/zinc/32/32/06/563323206.db2.gz GLHBNEUDLLHPRY-HIFRSBDPSA-N 1 0 389.949 2.660 20 0 GFADRO Cc1c([C@@H](C)[NH2+]CC2(CC(N)=O)CC2)nnn1-c1cccc(Br)c1 ZINC000421852112 563323271 /nfs/dbraw/zinc/32/32/71/563323271.db2.gz GVWCFIIKTZQQQD-LLVKDONJSA-N 1 0 392.301 2.644 20 0 GFADRO O=S1(=O)CC[C@@H]([NH2+]C2CCN(Cc3csc(Cl)c3Cl)CC2)C1 ZINC000372979489 563324243 /nfs/dbraw/zinc/32/42/43/563324243.db2.gz IOCPNDNGRVCHHU-GFCCVEGCSA-N 1 0 383.366 2.796 20 0 GFADRO O=C(Nc1ccc(F)c(Cl)c1)C1CC[NH+](C[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000280155786 563324780 /nfs/dbraw/zinc/32/47/80/563324780.db2.gz XMQUPHHASIFPFJ-LBPRGKRZSA-N 1 0 388.892 2.564 20 0 GFADRO O=C(c1cc(=O)[nH]c2c(Br)cccc12)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000373065368 563328028 /nfs/dbraw/zinc/32/80/28/563328028.db2.gz GJLDGYHGFWTYRQ-YGRLFVJLSA-N 1 0 376.254 2.527 20 0 GFADRO C[NH+]1CCC(O)(CNC(=O)Nc2cc(Cl)ccc2OC(F)(F)F)CC1 ZINC000297558960 563329206 /nfs/dbraw/zinc/32/92/06/563329206.db2.gz XKPOMZFUNQSLGS-UHFFFAOYSA-N 1 0 381.782 2.817 20 0 GFADRO COC(=O)c1cc(Br)ccc1NC(=O)N1CC[C@@H]2CC[N@H+](C)[C@H]2C1 ZINC000373181339 563330852 /nfs/dbraw/zinc/33/08/52/563330852.db2.gz ZVQDBKOTIQVXPM-NHYWBVRUSA-N 1 0 396.285 2.794 20 0 GFADRO OC[C@H](C[NH2+]Cc1nc(-c2cccc(Br)c2)c[nH]1)[C@@H]1CCOC1 ZINC000280295028 563331392 /nfs/dbraw/zinc/33/13/92/563331392.db2.gz NBQIWSRCKZYDSM-KGLIPLIRSA-N 1 0 380.286 2.574 20 0 GFADRO CC[C@H]([NH2+]CCCc1c[nH]nc1C)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000280310493 563331550 /nfs/dbraw/zinc/33/15/50/563331550.db2.gz OLHLVUVDUDBGNJ-INIZCTEOSA-N 1 0 384.933 2.953 20 0 GFADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCc2c1cccc2Br ZINC000422171709 563332471 /nfs/dbraw/zinc/33/24/71/563332471.db2.gz WTNSIMQPLOCCOU-CYBMUJFWSA-N 1 0 382.302 2.632 20 0 GFADRO CCN(CCC[NH+]1CCCC1)C(=O)NCc1ccc(S(=O)(=O)CC)s1 ZINC000280393012 563335040 /nfs/dbraw/zinc/33/50/40/563335040.db2.gz NKYQYSWLEPEUCE-UHFFFAOYSA-N 1 0 387.571 2.559 20 0 GFADRO O=C(NCCN1CC=CCC1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000280405627 563335480 /nfs/dbraw/zinc/33/54/80/563335480.db2.gz JOPXQDKRDSRAHA-UHFFFAOYSA-N 1 0 375.778 2.675 20 0 GFADRO C[NH+](C)C1CCC(NC(=O)C(=O)NCCc2cc(Cl)cc(Cl)c2)CC1 ZINC000422272741 563335587 /nfs/dbraw/zinc/33/55/87/563335587.db2.gz SUGGPXBOYQPZSU-UHFFFAOYSA-N 1 0 386.323 2.641 20 0 GFADRO CCS(=O)(=O)c1ccc(C[NH2+]C2CCN(Cc3cscn3)CC2)s1 ZINC000373475885 563339390 /nfs/dbraw/zinc/33/93/90/563339390.db2.gz UBMSTCIKCRQSOU-UHFFFAOYSA-N 1 0 385.580 2.752 20 0 GFADRO C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@H]1NC(=O)c1csc(C(F)(F)F)n1 ZINC000373508984 563340710 /nfs/dbraw/zinc/34/07/10/563340710.db2.gz NFVKHPUJUNUJOH-IJLUTSLNSA-N 1 0 377.432 2.781 20 0 GFADRO Cc1cc(C(=O)NC2CCN(c3nccn3C)CC2)ccc1Br ZINC000373510175 563340998 /nfs/dbraw/zinc/34/09/98/563340998.db2.gz RQTOISLJHKGDFI-UHFFFAOYSA-N 1 0 377.286 2.890 20 0 GFADRO [NH3+]CC[C@@H]1CN(S(=O)(=O)c2c[nH]c3nccc(Cl)c23)c2ccccc21 ZINC000373528931 563341749 /nfs/dbraw/zinc/34/17/49/563341749.db2.gz LKKVZJVTSSSQDG-LLVKDONJSA-N 1 0 376.869 2.858 20 0 GFADRO CCCN(CCC[NH+](C)C)C(=O)C(=O)NCc1cc(C)ccc1Br ZINC000422524570 563341956 /nfs/dbraw/zinc/34/19/56/563341956.db2.gz YYSAGNCPZGOJPM-UHFFFAOYSA-N 1 0 398.345 2.564 20 0 GFADRO Cc1cc([C@H](C)[NH2+]C[C@@H]2CCn3ncc(C(N)=O)c3C2)ccc1Br ZINC000373562599 563342368 /nfs/dbraw/zinc/34/23/68/563342368.db2.gz REILSADLCOCTKS-QWHCGFSZSA-N 1 0 391.313 2.966 20 0 GFADRO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)[C@H]2CSCCS2)cc1 ZINC000298041168 563343011 /nfs/dbraw/zinc/34/30/11/563343011.db2.gz JHWSPLIBQQXUHR-MRXNPFEDSA-N 1 0 381.567 2.545 20 0 GFADRO Brc1cnc(CN2CCC3(CC[NH2+]3)CC2)c(Br)c1 ZINC000422565366 563343304 /nfs/dbraw/zinc/34/33/04/563343304.db2.gz YTPYNUFSAGOTPZ-UHFFFAOYSA-N 1 0 375.108 2.935 20 0 GFADRO Cc1ccc(Br)c(S(=O)(=O)N2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)c1 ZINC000422558386 563343361 /nfs/dbraw/zinc/34/33/61/563343361.db2.gz ZDPCQLHMJJQSCV-AGIUHOORSA-N 1 0 375.332 2.751 20 0 GFADRO C[NH+](C)CCC1CCN(C(=O)C(=O)Nc2cc(Cl)c(N)c(Cl)c2)CC1 ZINC000298051217 563343307 /nfs/dbraw/zinc/34/33/07/563343307.db2.gz HTXAPZUZKTUZAZ-UHFFFAOYSA-N 1 0 387.311 2.704 20 0 GFADRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)N(C)Cc1ccc(Cl)c(Cl)c1 ZINC000298062871 563343672 /nfs/dbraw/zinc/34/36/72/563343672.db2.gz RPARGHBZKSICDK-MLGOLLRUSA-N 1 0 386.323 2.750 20 0 GFADRO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)c1c(Br)cnn1C ZINC000298098650 563344867 /nfs/dbraw/zinc/34/48/67/563344867.db2.gz NRZSTLVPQUSHDY-BBRMVZONSA-N 1 0 389.297 2.939 20 0 GFADRO C[C@@H]1C[C@@H](C)N(CCS(=O)(=O)c2cccc(Br)c2)C[C@H]1C[NH3+] ZINC000422640088 563345398 /nfs/dbraw/zinc/34/53/98/563345398.db2.gz UWVALKRWLXYBEK-MGPQQGTHSA-N 1 0 389.359 2.528 20 0 GFADRO C[C@@H]1OCC[C@@H]1S(=O)(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccc(Cl)c1 ZINC000373668848 563346551 /nfs/dbraw/zinc/34/65/51/563346551.db2.gz WEPQSZOZHSEYKW-UNQWWWNPSA-N 1 0 386.945 2.820 20 0 GFADRO CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)COC1CC[NH2+]CC1 ZINC000422947148 563351657 /nfs/dbraw/zinc/35/16/57/563351657.db2.gz PVMIGAWPZPRVKP-UHFFFAOYSA-N 1 0 388.295 2.549 20 0 GFADRO CCN(CC)S(=O)(=O)c1ccc(CN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)s1 ZINC000422943261 563351770 /nfs/dbraw/zinc/35/17/70/563351770.db2.gz XTOSYHJCYVQJIP-YESZJQIVSA-N 1 0 385.599 2.789 20 0 GFADRO CC(C)[C@@H](C(=O)N1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1)[C@H](C)[NH3+] ZINC000422980932 563352639 /nfs/dbraw/zinc/35/26/39/563352639.db2.gz MWSMVTLTXKOIMZ-BLLLJJGKSA-N 1 0 386.323 2.897 20 0 GFADRO Cc1ccc(F)c(NC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1Br ZINC000373835767 563353117 /nfs/dbraw/zinc/35/31/17/563353117.db2.gz INWRWJLVPKUUOV-NEPJUHHUSA-N 1 0 398.276 2.578 20 0 GFADRO Cc1ccncc1C[NH2+]CCc1ccc(S(=O)(=O)N2CCCCC2)s1 ZINC000280775201 563353818 /nfs/dbraw/zinc/35/38/18/563353818.db2.gz FJKMFFRPGUFCON-UHFFFAOYSA-N 1 0 379.551 2.958 20 0 GFADRO [NH3+]CCCCn1cc(C(=O)NC2(c3cccc(Br)c3)CCC2)nn1 ZINC000423055845 563354152 /nfs/dbraw/zinc/35/41/52/563354152.db2.gz DQXGDFRYCSSTMQ-UHFFFAOYSA-N 1 0 392.301 2.589 20 0 GFADRO C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)C(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000423082686 563354901 /nfs/dbraw/zinc/35/49/01/563354901.db2.gz FOMCHFSOPNINPT-SEDUGSJDSA-N 1 0 386.323 2.956 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)[C@@H]1[NH2+]CCCC1(C)C ZINC000423107887 563355229 /nfs/dbraw/zinc/35/52/29/563355229.db2.gz LMOYWDRSNKUUKN-INIZCTEOSA-N 1 0 396.329 2.981 20 0 GFADRO CC(C)N(Cc1ccc(Br)cc1)C(=O)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000423096199 563355355 /nfs/dbraw/zinc/35/53/55/563355355.db2.gz HGCFSWVHZNKGJL-UHFFFAOYSA-N 1 0 398.345 2.629 20 0 GFADRO C[C@]1(C(N)=O)CC[N@H+](Cc2ccnc(-c3ccc(Br)cc3)n2)C1 ZINC000280812417 563355335 /nfs/dbraw/zinc/35/53/35/563355335.db2.gz TZRPBIONUREAKX-KRWDZBQOSA-N 1 0 375.270 2.603 20 0 GFADRO C[C@@]1(C[NH3+])CCN(C(=O)C(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000423097333 563355569 /nfs/dbraw/zinc/35/55/69/563355569.db2.gz QSHPGMSGGHIEDR-QAPCUYQASA-N 1 0 384.307 2.854 20 0 GFADRO [NH3+][C@H](C(=O)N1CCC(C(=O)Nc2cccc(Br)c2)CC1)C1CCC1 ZINC000423137186 563356829 /nfs/dbraw/zinc/35/68/29/563356829.db2.gz ZVLUCHYCBCXCMW-INIZCTEOSA-N 1 0 394.313 2.754 20 0 GFADRO CC(C)[C@@H](C(=O)NCCc1ccc(I)s1)[C@@H](C)[NH3+] ZINC000423132966 563357031 /nfs/dbraw/zinc/35/70/31/563357031.db2.gz JRVXIYSKFQHVHP-BXKDBHETSA-N 1 0 380.295 2.631 20 0 GFADRO C[C@@H]1CN(C(=O)C(=O)N(Cc2ccc(Cl)c(Cl)c2)C2CC2)CC[C@H]1[NH3+] ZINC000423171061 563357690 /nfs/dbraw/zinc/35/76/90/563357690.db2.gz NILUMISTBBPBNH-BDJLRTHQSA-N 1 0 384.307 2.680 20 0 GFADRO CC(C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000423163545 563357840 /nfs/dbraw/zinc/35/78/40/563357840.db2.gz MRHWHRVYMBYEAE-WBMJQRKESA-N 1 0 386.323 2.926 20 0 GFADRO CC(C)CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC000423180911 563358623 /nfs/dbraw/zinc/35/86/23/563358623.db2.gz KUTICNVZKXYONZ-AWEZNQCLSA-N 1 0 386.323 2.928 20 0 GFADRO Cc1c([C@H](C)NC[C@@H]2CCC[NH2+]C2)nnn1-c1cccc(Br)c1 ZINC000423207032 563358667 /nfs/dbraw/zinc/35/86/67/563358667.db2.gz GKPVUKBJPVCCMT-GXTWGEPZSA-N 1 0 378.318 2.988 20 0 GFADRO Cn1cc([C@H](O)C[NH2+]Cc2ccc(OC(F)(F)F)c(Br)c2)cn1 ZINC000280890899 563359603 /nfs/dbraw/zinc/35/96/03/563359603.db2.gz NWDOENWUWQRWBC-GFCCVEGCSA-N 1 0 394.191 2.904 20 0 GFADRO C[C@@H](NC[C@]1(C)CCC[NH2+]C1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000423351820 563360395 /nfs/dbraw/zinc/36/03/95/563360395.db2.gz ZRJXXYWGHLRAOU-MEBBXXQBSA-N 1 0 380.341 2.681 20 0 GFADRO O=C(CC[N@@H+]1CCS[C@@H]2COCC[C@@H]21)Nc1ccccc1Br ZINC000298596734 563361279 /nfs/dbraw/zinc/36/12/79/563361279.db2.gz KWFSZYKFZXQFGA-LSDHHAIUSA-N 1 0 385.327 2.984 20 0 GFADRO C[C@@H](NC[C@H]1C[NH2+]CCO1)c1ccc(Br)cc1Br ZINC000423529430 563362079 /nfs/dbraw/zinc/36/20/79/563362079.db2.gz VMQBYMJHMIAVRN-MWLCHTKSSA-N 1 0 378.108 2.851 20 0 GFADRO C[C@H]1c2cc(Cl)c(Cl)cc2CCN1C(=O)C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000423549366 563362199 /nfs/dbraw/zinc/36/21/99/563362199.db2.gz DENCFOCGSVQVEI-BBATYDOGSA-N 1 0 384.307 2.636 20 0 GFADRO Cc1onc(-c2ccc(Cl)c(Cl)c2)c1C(=O)NC[C@](C)(O)C[NH+](C)C ZINC000280993418 563362986 /nfs/dbraw/zinc/36/29/86/563362986.db2.gz FEOJRYGCCXRPIQ-KRWDZBQOSA-N 1 0 386.279 2.999 20 0 GFADRO C[C@@H]1CN(C(=O)C(=O)N2CCC(c3ccc(Cl)cc3Cl)CC2)C[C@H]1[NH3+] ZINC000423733146 563363585 /nfs/dbraw/zinc/36/35/85/563363585.db2.gz BJPZEQUOUVZGTR-BDJLRTHQSA-N 1 0 384.307 2.505 20 0 GFADRO CCS(=O)(=O)N1CCC([NH2+]Cc2ccc(Sc3ccccn3)o2)CC1 ZINC000281011401 563363667 /nfs/dbraw/zinc/36/36/67/563363667.db2.gz NMXAIXOELUCXAW-UHFFFAOYSA-N 1 0 381.523 2.730 20 0 GFADRO CC(C)[C@H](C(=O)NCc1noc(-c2cccc(Br)c2)n1)[C@@H](C)[NH3+] ZINC000423932863 563364121 /nfs/dbraw/zinc/36/41/21/563364121.db2.gz UBKRKJCZVZRCKI-YGRLFVJLSA-N 1 0 381.274 2.735 20 0 GFADRO CC(C)[C@@H](C(=O)NCc1nc(-c2cccc(Br)c2)no1)[C@H](C)[NH3+] ZINC000423934199 563364307 /nfs/dbraw/zinc/36/43/07/563364307.db2.gz YQOFGDRCZDLGMO-IINYFYTJSA-N 1 0 381.274 2.735 20 0 GFADRO [NH3+]C[C@H](NC(=O)[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)C1CCCC1 ZINC000423935479 563364340 /nfs/dbraw/zinc/36/43/40/563364340.db2.gz AGNZZJFVSZZPNC-BBRMVZONSA-N 1 0 384.307 2.980 20 0 GFADRO C[C@@H]1CC[NH2+][C@@H](C(=O)NCc2nc(-c3cccc(Br)c3)no2)C1 ZINC000423927378 563364373 /nfs/dbraw/zinc/36/43/73/563364373.db2.gz INAYOGHHKDKGHK-ZWNOBZJWSA-N 1 0 379.258 2.503 20 0 GFADRO C[C@@H](C[S@](C)=O)[N@H+](C)CCc1nc2sc3c(c2c(N)n1)CC[C@@H](C)C3 ZINC000298722936 563364635 /nfs/dbraw/zinc/36/46/35/563364635.db2.gz BEYLWHARFQLADP-FIRCGALFSA-N 1 0 380.583 2.640 20 0 GFADRO Cc1ccc(CC(=O)NC2CCC(N3CC[NH2+]CC3)CC2)cc1Br ZINC000423950460 563364727 /nfs/dbraw/zinc/36/47/27/563364727.db2.gz NMMVNLQRIWWEEH-UHFFFAOYSA-N 1 0 394.357 2.633 20 0 GFADRO CCc1nc(C(=O)N(C)[C@@H](C[NH3+])C2CC2)nn1-c1c(Cl)cccc1Cl ZINC000423942495 563364785 /nfs/dbraw/zinc/36/47/85/563364785.db2.gz DZWPLPLPKUSOPP-ZDUSSCGKSA-N 1 0 382.295 2.946 20 0 GFADRO Cc1c(Br)cccc1CC(=O)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000423950924 563365013 /nfs/dbraw/zinc/36/50/13/563365013.db2.gz OFFCQZZIZOZRLM-UHFFFAOYSA-N 1 0 394.357 2.633 20 0 GFADRO O=C(NC1CCC(N2CC[NH2+]CC2)CC1)c1ccc(F)c(Br)c1 ZINC000423945909 563365121 /nfs/dbraw/zinc/36/51/21/563365121.db2.gz HIRVHRUPWZSJFJ-UHFFFAOYSA-N 1 0 384.293 2.534 20 0 GFADRO C[C@H]1CCN(C(=O)CNC(=O)c2sc3ccccc3c2Cl)C[C@H]1C[NH3+] ZINC000424000697 563367107 /nfs/dbraw/zinc/36/71/07/563367107.db2.gz OMEUNSUNZHEYDX-NWDGAFQWSA-N 1 0 379.913 2.728 20 0 GFADRO C[NH2+]CCCN(C)C(=O)CCc1nc(-c2cc(Br)cs2)no1 ZINC000424028043 563367695 /nfs/dbraw/zinc/36/76/95/563367695.db2.gz CACUPTPMTCCJJB-UHFFFAOYSA-N 1 0 387.303 2.561 20 0 GFADRO COc1cc([C@@H](C)[NH2+][C@@H](CO)CC2CCC2)ccc1S(=O)(=O)C(F)F ZINC000281230185 563370625 /nfs/dbraw/zinc/37/06/25/563370625.db2.gz UQHBWROIHNPDBE-BXUZGUMPSA-N 1 0 377.453 2.893 20 0 GFADRO CN(Cc1ccccc1Br)C(=O)C[N@@H+]1CC[C@H]([C@H]2CCOC2)C1 ZINC000374401705 563371156 /nfs/dbraw/zinc/37/11/56/563371156.db2.gz RKFTWJFTLMHJAD-HOCLYGCPSA-N 1 0 381.314 2.766 20 0 GFADRO C[C@@H]([NH2+][C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1)[C@H]1CCCCO1 ZINC000281249177 563371471 /nfs/dbraw/zinc/37/14/71/563371471.db2.gz XCBDIAHLZIMLSC-MISXGVKJSA-N 1 0 391.331 2.705 20 0 GFADRO O=CN1CCC([NH2+][C@@H](CO)c2ccc(Br)cc2C(F)(F)F)CC1 ZINC000281299584 563372595 /nfs/dbraw/zinc/37/25/95/563372595.db2.gz YNSPHRZVWFJVRZ-AWEZNQCLSA-N 1 0 395.219 2.712 20 0 GFADRO CN1CC[C@H](C[NH2+]C2CCN(Cc3ccccc3Br)CC2)CC1=O ZINC000424186098 563372734 /nfs/dbraw/zinc/37/27/34/563372734.db2.gz HQNHEBJVBHGEPF-HNNXBMFYSA-N 1 0 394.357 2.872 20 0 GFADRO Cn1cc(Br)cc1C(=O)Nc1cnn(CC[NH+]2CCCCC2)c1 ZINC000374473696 563374106 /nfs/dbraw/zinc/37/41/06/563374106.db2.gz VHECVQZSOGVPTA-UHFFFAOYSA-N 1 0 380.290 2.722 20 0 GFADRO C[C@@H]1CC2(CN1C(=O)c1cccc(I)c1)CC[NH2+]CC2 ZINC000424225500 563374263 /nfs/dbraw/zinc/37/42/63/563374263.db2.gz PVUWJEYTYMHDKH-GFCCVEGCSA-N 1 0 384.261 2.895 20 0 GFADRO COc1ccc(Br)cc1CC(=O)N1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424219341 563374755 /nfs/dbraw/zinc/37/47/55/563374755.db2.gz ADMOZZXZBSQKMR-CYBMUJFWSA-N 1 0 381.314 2.991 20 0 GFADRO COc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCCN2S(=O)(=O)N(C)C)c(Cl)c1 ZINC000424344264 563376244 /nfs/dbraw/zinc/37/62/44/563376244.db2.gz GOYMAQGASXKYGQ-KGLIPLIRSA-N 1 0 389.949 2.660 20 0 GFADRO Cc1cc(S(=O)(=O)N2CC3(C[C@@H]2C)CC[NH2+]CC3)ccc1Br ZINC000424390696 563377952 /nfs/dbraw/zinc/37/79/52/563377952.db2.gz KUTGQLCYANLLAS-ZDUSSCGKSA-N 1 0 387.343 2.910 20 0 GFADRO C[C@H]1CC2(CN1S(=O)(=O)c1ccc(C(F)(F)F)c(F)c1)CC[NH2+]CC2 ZINC000424392956 563378027 /nfs/dbraw/zinc/37/80/27/563378027.db2.gz QLBREMHOKMGSTR-NSHDSACASA-N 1 0 380.407 2.997 20 0 GFADRO [NH3+][C@@H]1CCCC[C@H]1NC(=O)Nc1nnc(-c2cccc(Br)c2)s1 ZINC000424418558 563378538 /nfs/dbraw/zinc/37/85/38/563378538.db2.gz PXXXAJIFPLXZEF-VXGBXAGGSA-N 1 0 396.314 3.359 20 0 GFADRO Cc1cccc(NC(=O)C(=O)N(C)CCC[NH+]2CCCC2)c1Br ZINC000281522573 563379178 /nfs/dbraw/zinc/37/91/78/563379178.db2.gz SMPKGYMWWTUVHE-UHFFFAOYSA-N 1 0 382.302 2.640 20 0 GFADRO C[C@@H](NC(=O)N[C@@H]1CCCC[C@H]1[NH3+])c1cc2c(cc1Br)OCCO2 ZINC000424451286 563379205 /nfs/dbraw/zinc/37/92/05/563379205.db2.gz CRZLMDJRMFTWTG-LERXQTSPSA-N 1 0 398.301 2.850 20 0 GFADRO [NH3+][C@@H]1CCCC[C@H]1NC(=O)NC[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000424451961 563379694 /nfs/dbraw/zinc/37/96/94/563379694.db2.gz GAYJFZMDDVDTCM-KBRIMQKVSA-N 1 0 395.345 2.845 20 0 GFADRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)NCc1cc(Cl)cc(I)c1 ZINC000424476423 563380138 /nfs/dbraw/zinc/38/01/38/563380138.db2.gz ZTCNZMIKSRBEJL-UFBFGSQYSA-N 1 0 393.656 2.576 20 0 GFADRO COc1ncc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1Br ZINC000424553709 563381714 /nfs/dbraw/zinc/38/17/14/563381714.db2.gz CDADERZITHALKB-HNNXBMFYSA-N 1 0 390.281 2.857 20 0 GFADRO Cc1c(Br)ccc(C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)c1F ZINC000281653535 563382345 /nfs/dbraw/zinc/38/23/45/563382345.db2.gz BSLWWGHMOXGBBZ-UHFFFAOYSA-N 1 0 386.309 2.652 20 0 GFADRO O=C(Cn1cc(Br)cn1)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000299436767 563383825 /nfs/dbraw/zinc/38/38/25/563383825.db2.gz HXVMQJCACGEIEN-ZDUSSCGKSA-N 1 0 397.342 2.736 20 0 GFADRO CN(Cc1ncc(Cl)n1C)C(=O)NC1CC[NH+](Cc2ccsc2)CC1 ZINC000374900609 563385547 /nfs/dbraw/zinc/38/55/47/563385547.db2.gz WWLCCFHUAVNNGU-UHFFFAOYSA-N 1 0 381.933 2.941 20 0 GFADRO COc1ncc(C(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)cc1Br ZINC000424694168 563387603 /nfs/dbraw/zinc/38/76/03/563387603.db2.gz YLPYJEXTWWJGNP-CQSZACIVSA-N 1 0 382.302 2.943 20 0 GFADRO Cn1c(Cl)cnc1C[NH2+]CCCNC(=O)c1cccc(Br)c1 ZINC000281807129 563387649 /nfs/dbraw/zinc/38/76/49/563387649.db2.gz VRUVTZRHNFPLBC-UHFFFAOYSA-N 1 0 385.693 2.746 20 0 GFADRO C[N@@H+]1CC[C@H]2CCN(C(=O)c3cnn(-c4ccc(Br)cc4)c3)C[C@H]21 ZINC000375014293 563388163 /nfs/dbraw/zinc/38/81/63/563388163.db2.gz AQBSKCUDTWYCFX-SUMWQHHRSA-N 1 0 389.297 2.801 20 0 GFADRO C[N@@H+]1CCN(CCNC(=O)c2cc3cc(Br)ccc3[nH]2)CC1(C)C ZINC000281844017 563388418 /nfs/dbraw/zinc/38/84/18/563388418.db2.gz TXJSJLVJKCPBOR-UHFFFAOYSA-N 1 0 393.329 2.686 20 0 GFADRO Cc1oc(Br)cc1C(=O)Nc1ccc(OC[C@@H](O)C[NH+](C)C)cc1 ZINC000424712028 563388747 /nfs/dbraw/zinc/38/87/47/563388747.db2.gz JKZBRJJCYDZCQU-ZDUSSCGKSA-N 1 0 397.269 2.904 20 0 GFADRO Cc1oc(Br)cc1C(=O)N1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000424749358 563390156 /nfs/dbraw/zinc/39/01/56/563390156.db2.gz QMCDLLMGCWJFIN-UHFFFAOYSA-N 1 0 398.345 2.981 20 0 GFADRO C[C@@H]1CCN(S(=O)(=O)c2ccc(Cl)c(Br)c2)[C@H](C[NH3+])C1 ZINC000300209947 563391335 /nfs/dbraw/zinc/39/13/35/563391335.db2.gz ZTACZTJFFGOUSO-ZJUUUORDSA-N 1 0 381.723 2.850 20 0 GFADRO COc1c(Br)ccc(C)c1C(=O)N[C@H](C)CC[NH+]1CCN(C)CC1 ZINC000424772260 563391608 /nfs/dbraw/zinc/39/16/08/563391608.db2.gz LOZNSJKUOCOHOZ-CQSZACIVSA-N 1 0 398.345 2.522 20 0 GFADRO [NH3+]CC[C@H]1CCCN(C(=O)c2cnn(-c3ccc(Br)cc3)c2)C1 ZINC000281975242 563392629 /nfs/dbraw/zinc/39/26/29/563392629.db2.gz OFTMCGCBFMGUAJ-CYBMUJFWSA-N 1 0 377.286 2.836 20 0 GFADRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)Nc1ncnc2c1c(Br)nn2C ZINC000301149362 563394140 /nfs/dbraw/zinc/39/41/40/563394140.db2.gz IXIGOBPOBRIZJR-TUAOUCFPSA-N 1 0 381.322 2.904 20 0 GFADRO O=C(NCC1CC[NH+](C2CC2)CC1)c1cc(Br)cc2[nH]cnc21 ZINC000282049835 563395876 /nfs/dbraw/zinc/39/58/76/563395876.db2.gz LRQYFZDNVCTULG-UHFFFAOYSA-N 1 0 377.286 2.930 20 0 GFADRO Cc1cc(Br)c(F)cc1NC(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000375223961 563396200 /nfs/dbraw/zinc/39/62/00/563396200.db2.gz HOXVEPAKJKIBAS-VXGBXAGGSA-N 1 0 386.265 2.881 20 0 GFADRO C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCc1cc(Cl)cc(I)c1 ZINC000424897378 563396897 /nfs/dbraw/zinc/39/68/97/563396897.db2.gz QYJBSPAOYMNNNM-TVQRCGJNSA-N 1 0 392.668 2.759 20 0 GFADRO C[NH+]1CCN(Cc2ccc(C(=O)N3CCC=C(Br)C3)cc2)CC1 ZINC000282114727 563398179 /nfs/dbraw/zinc/39/81/79/563398179.db2.gz ALLQWMPEEBNEJC-UHFFFAOYSA-N 1 0 378.314 2.559 20 0 GFADRO CCC[N@H+](C)CC(=O)N1C[C@H](C(=O)OC)[C@@H](c2ccc(Br)cc2)C1 ZINC000425010048 563401145 /nfs/dbraw/zinc/40/11/45/563401145.db2.gz MGBOEBGDGGTQJE-CVEARBPZSA-N 1 0 397.313 2.506 20 0 GFADRO C[N@@H+]1C[C@@H]2CCCN(C(=O)c3cc(F)ccc3I)[C@@H]2C1 ZINC000425054989 563402458 /nfs/dbraw/zinc/40/24/58/563402458.db2.gz GOITXLBFNVKKCQ-IINYFYTJSA-N 1 0 388.224 2.597 20 0 GFADRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cnn(C)c(=O)c1Br ZINC000301433040 563403311 /nfs/dbraw/zinc/40/33/11/563403311.db2.gz JMCXVJVJBWAGAH-HNNXBMFYSA-N 1 0 391.313 2.501 20 0 GFADRO CCc1cnc(NC(=O)C(=O)NC[C@H]2CC[N@H+](C)[C@@H]2c2cccs2)s1 ZINC000375439204 563405239 /nfs/dbraw/zinc/40/52/39/563405239.db2.gz ULCPTBUMYHXUDX-RISCZKNCSA-N 1 0 378.523 2.515 20 0 GFADRO O=C(CN1CC[C@@H](c2nc(C3CC3)no2)C1)Nc1ccc(Br)cn1 ZINC000375463731 563405621 /nfs/dbraw/zinc/40/56/21/563405621.db2.gz FJUBDABTNMWLED-LLVKDONJSA-N 1 0 392.257 2.533 20 0 GFADRO O=C(CCC[S@@](=O)c1ccc(Br)cc1)N1CC[NH+]2CCC1CC2 ZINC000375496504 563407078 /nfs/dbraw/zinc/40/70/78/563407078.db2.gz NQNBYWSLYMFIGJ-HSZRJFAPSA-N 1 0 399.354 2.644 20 0 GFADRO C[S@](=O)C1(C[NH2+]Cc2c(F)ccc(I)c2F)CC1 ZINC000282334181 563407268 /nfs/dbraw/zinc/40/72/68/563407268.db2.gz LSVPGYBBGGLYGU-SFHVURJKSA-N 1 0 385.217 2.570 20 0 GFADRO C[C@@H](CO)[N@@H+]1CCCN(C(=O)c2ccc(Br)c(Cl)c2)CC1 ZINC000375484103 563407422 /nfs/dbraw/zinc/40/74/22/563407422.db2.gz NLDLNEPWMXEDIQ-NSHDSACASA-N 1 0 375.694 2.631 20 0 GFADRO C[NH+]1CCC([C@H]2CCN(S(=O)(=O)c3c(F)c(F)cc(F)c3F)C2)CC1 ZINC000282398067 563409981 /nfs/dbraw/zinc/40/99/81/563409981.db2.gz YRJCBHISHAUQJG-NSHDSACASA-N 1 0 380.407 2.595 20 0 GFADRO Cc1cc(OCCC[C@H](C)[NH2+]CCOCCS(C)(=O)=O)ccc1Cl ZINC000282452074 563411976 /nfs/dbraw/zinc/41/19/76/563411976.db2.gz HOAFCNWPWQFSGV-HNNXBMFYSA-N 1 0 377.934 2.847 20 0 GFADRO COCC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)c2csc(-c3cccs3)n2)C1 ZINC000282456819 563411981 /nfs/dbraw/zinc/41/19/81/563411981.db2.gz FTLUIDILZQOSHN-CYBMUJFWSA-N 1 0 379.551 2.986 20 0 GFADRO CCc1n[nH]c(C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)c1Br ZINC000375668524 563413743 /nfs/dbraw/zinc/41/37/43/563413743.db2.gz HPNJTXMKOWVQAF-CQSZACIVSA-N 1 0 391.313 2.987 20 0 GFADRO COc1cc2[nH+]ccc(N[C@H](CO)C[C@H](O)C(C)(C)C)c2cc1Br ZINC000425248577 563415086 /nfs/dbraw/zinc/41/50/86/563415086.db2.gz ABTSNLAXKLWUSE-GTNSWQLSSA-N 1 0 397.313 2.998 20 0 GFADRO COc1cc(C[NH2+]C[C@H]2CCN(S(=O)(=O)c3cccs3)C2)ccc1C ZINC000375751862 563417177 /nfs/dbraw/zinc/41/71/77/563417177.db2.gz XPDVXJJSHGXZJA-MRXNPFEDSA-N 1 0 380.535 2.866 20 0 GFADRO C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000375799459 563418509 /nfs/dbraw/zinc/41/85/09/563418509.db2.gz ZABGGJYINVYYAD-OAUYIBNBSA-N 1 0 386.323 2.851 20 0 GFADRO Cc1nnc(COCC(=O)NC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)s1 ZINC000375840101 563420509 /nfs/dbraw/zinc/42/05/09/563420509.db2.gz OKECLFYMMBDPDJ-CXAGYDPISA-N 1 0 380.539 2.624 20 0 GFADRO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NCc1ccsc1Br ZINC000282722829 563422216 /nfs/dbraw/zinc/42/22/16/563422216.db2.gz CLZFIPAGLIWCNV-ZDUSSCGKSA-N 1 0 375.332 2.920 20 0 GFADRO CN(C)S(=O)(=O)c1ccc(C[NH2+][C@H]2CCN(C)[C@@H]2c2ccccc2)s1 ZINC000425444491 563422664 /nfs/dbraw/zinc/42/26/64/563422664.db2.gz NURXEQLIOACZAI-FUHWJXTLSA-N 1 0 379.551 2.533 20 0 GFADRO C[C@@H]1OCC[C@]12C[N@H+](CCC(=O)Nc1ccc(Br)cc1)CCO2 ZINC000375927804 563423412 /nfs/dbraw/zinc/42/34/12/563423412.db2.gz NWCHIUUGOSZTJF-GUYCJALGSA-N 1 0 383.286 2.658 20 0 GFADRO NC(=O)c1c[nH+]ccc1NC[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000302240791 563423456 /nfs/dbraw/zinc/42/34/56/563423456.db2.gz XPVZXPNOEZBMJP-LBPRGKRZSA-N 1 0 375.270 2.881 20 0 GFADRO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@@H]1CCC(=O)NC12CCC2 ZINC000282755879 563423554 /nfs/dbraw/zinc/42/35/54/563423554.db2.gz BEBLPZDXWYKNIR-IUODEOHRSA-N 1 0 394.313 2.957 20 0 GFADRO CN(Cc1ccc(Cl)nc1Cl)C1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000375958766 563424657 /nfs/dbraw/zinc/42/46/57/563424657.db2.gz DGCIMXAAUKDSEN-UHFFFAOYSA-N 1 0 385.339 2.907 20 0 GFADRO COCC(C)(C)[NH+]1CCN(C(=O)NCc2cc(F)c(Cl)cc2F)CC1 ZINC000425516844 563426644 /nfs/dbraw/zinc/42/66/44/563426644.db2.gz OCJCKUCBIZDRHR-UHFFFAOYSA-N 1 0 375.847 2.870 20 0 GFADRO COCCC[NH+]1CCC(NC(=O)NCc2ccsc2Br)CC1 ZINC000282840078 563427149 /nfs/dbraw/zinc/42/71/49/563427149.db2.gz SYSHTTCQEKEMMN-UHFFFAOYSA-N 1 0 390.347 2.811 20 0 GFADRO O=S(=O)(CCCC(F)(F)F)N[C@@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000376153997 563431872 /nfs/dbraw/zinc/43/18/72/563431872.db2.gz BGZOCVAZXSZPMY-SMDDNHRTSA-N 1 0 386.386 2.672 20 0 GFADRO COC(=O)c1ccc(Br)cc1CN1CCOCC2(CCOCC2)C1 ZINC000282994268 563432184 /nfs/dbraw/zinc/43/21/84/563432184.db2.gz FDJYDQUEPDDQRO-UHFFFAOYSA-N 1 0 398.297 2.865 20 0 GFADRO O=C(NCc1ccccc1Br)N1CCC[N@@H+](C2CCOCC2)CC1 ZINC000376183050 563432278 /nfs/dbraw/zinc/43/22/78/563432278.db2.gz ZRVMINZSUXHOJB-UHFFFAOYSA-N 1 0 396.329 2.845 20 0 GFADRO O=C(c1csc(I)c1)N1CCCC2(CC[NH2+]CC2)C1 ZINC000376240108 563434380 /nfs/dbraw/zinc/43/43/80/563434380.db2.gz MVYJGUBWFOQOPD-UHFFFAOYSA-N 1 0 390.290 2.959 20 0 GFADRO COCC[N@@H+]1CC[C@H](NC(=O)Nc2cccc(Br)c2Cl)C1 ZINC000283120480 563436254 /nfs/dbraw/zinc/43/62/54/563436254.db2.gz MYSGOUIUPXZVHT-JTQLQIEISA-N 1 0 376.682 2.945 20 0 GFADRO CC(C)(O)C[NH+]1CCN(CCOc2ccc(Cl)cc2Br)CC1 ZINC000315920924 563440752 /nfs/dbraw/zinc/44/07/52/563440752.db2.gz GEZDBKJYWYPYTH-UHFFFAOYSA-N 1 0 391.737 2.870 20 0 GFADRO CCOc1ccc(Br)cc1S(=O)(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000316114425 563441027 /nfs/dbraw/zinc/44/10/27/563441027.db2.gz NQWCLLULXFSPEB-GFCCVEGCSA-N 1 0 391.331 2.597 20 0 GFADRO COC(=O)[C@@](C)(C[NH2+]Cc1c(Br)cnn1C)c1ccc(F)cc1 ZINC000425999518 563441668 /nfs/dbraw/zinc/44/16/68/563441668.db2.gz PJFXCJWTMBFHKO-INIZCTEOSA-N 1 0 384.249 2.542 20 0 GFADRO CCOc1ccc(Br)cc1S(=O)(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000316237431 563441871 /nfs/dbraw/zinc/44/18/71/563441871.db2.gz PQTHAGAINRHBJM-VXGBXAGGSA-N 1 0 391.331 2.596 20 0 GFADRO C[C@@H](NC(=O)NC[C@]1([NH+](C)C)CCSC1)c1nc(C(F)(F)F)cs1 ZINC000426030531 563442095 /nfs/dbraw/zinc/44/20/95/563442095.db2.gz UNUGJUBXEIKGJN-NOZJJQNGSA-N 1 0 382.477 2.959 20 0 GFADRO O=S(=O)(c1ccc(Br)cc1F)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000317323556 563442311 /nfs/dbraw/zinc/44/23/11/563442311.db2.gz JOOSUSNZDXRTOW-FZMZJTMJSA-N 1 0 391.306 2.741 20 0 GFADRO C[NH+](C)CCOCCNC(=O)c1cc(C(F)(F)F)ccc1Br ZINC000318987070 563445044 /nfs/dbraw/zinc/44/50/44/563445044.db2.gz LEBYGXJAIOHDPM-UHFFFAOYSA-N 1 0 383.208 2.776 20 0 GFADRO COc1cc(Br)c(C[N@@H+]2CC[C@@H](C(=O)N3CCCC3)C2)cc1OC ZINC000376553000 563445937 /nfs/dbraw/zinc/44/59/37/563445937.db2.gz LMNOZBLMYSHTBY-CYBMUJFWSA-N 1 0 397.313 2.911 20 0 GFADRO [NH3+]C[C@H]1CCCC[C@]12NC(=O)N(Cc1ccc(F)c(Br)c1)C2=O ZINC000321426185 563448013 /nfs/dbraw/zinc/44/80/13/563448013.db2.gz LYWUEQVHGVFMCT-BZNIZROVSA-N 1 0 384.249 2.528 20 0 GFADRO CC(C)(C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000376667244 563450297 /nfs/dbraw/zinc/45/02/97/563450297.db2.gz NQENPRDAICCLCY-CABCVRRESA-N 1 0 384.929 2.635 20 0 GFADRO CN1C(=O)CC[C@H]([NH2+]Cc2ccc(OC(F)(F)F)c(Br)c2)C1=O ZINC000323732835 563451618 /nfs/dbraw/zinc/45/16/18/563451618.db2.gz PTVBBAWBXQVXMD-JTQLQIEISA-N 1 0 395.175 2.585 20 0 GFADRO C[C@H](O)C[C@H]1CCCC[N@@H+]1Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000323598368 563451728 /nfs/dbraw/zinc/45/17/28/563451728.db2.gz HXGPTEFLHPHWSX-SWLSCSKDSA-N 1 0 380.286 2.582 20 0 GFADRO O=C(N[C@H]1CCN(c2ccc(Br)cc2)C1)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000426490161 563451878 /nfs/dbraw/zinc/45/18/78/563451878.db2.gz AUHRXFXEQVOIHN-YOEHRIQHSA-N 1 0 378.314 2.771 20 0 GFADRO O=C(N[C@H]1CCN(c2ccc(Br)cc2)C1)[C@H]1CCC[N@@H+]1C1CC1 ZINC000426490160 563452383 /nfs/dbraw/zinc/45/23/83/563452383.db2.gz AUHRXFXEQVOIHN-WMLDXEAASA-N 1 0 378.314 2.771 20 0 GFADRO O=S1(=O)CC[C@H]([NH2+]C2CCN(Cc3csc(-c4cccs4)n3)CC2)C1 ZINC000376798424 563454956 /nfs/dbraw/zinc/45/49/56/563454956.db2.gz HGXDXANSZHAYBO-AWEZNQCLSA-N 1 0 397.591 2.613 20 0 GFADRO COCC(=O)N1CCC([NH2+]Cc2ccc(Br)c3cccnc23)CC1 ZINC000326318809 563455127 /nfs/dbraw/zinc/45/51/27/563455127.db2.gz MBDCSGGHMLMFIH-UHFFFAOYSA-N 1 0 392.297 2.724 20 0 GFADRO Cc1cc(Br)cn2c(C[NH2+][C@@H](CO)C[C@@H](O)C(C)(C)C)cnc12 ZINC000283960165 563460462 /nfs/dbraw/zinc/46/04/62/563460462.db2.gz KOUGJBZUINAXFH-UKRRQHHQSA-N 1 0 384.318 2.653 20 0 GFADRO COc1ccc([C@H](C)[NH2+]C[C@H]2CCCS(=O)(=O)C2)cc1Br ZINC000284136559 563465162 /nfs/dbraw/zinc/46/51/62/563465162.db2.gz OOBHGPQDBMBMML-NWDGAFQWSA-N 1 0 376.316 2.933 20 0 GFADRO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)Cn1c(C)c(C)sc1=O ZINC000427448801 563467207 /nfs/dbraw/zinc/46/72/07/563467207.db2.gz KPBSAKUSEBHDPZ-UHFFFAOYSA-N 1 0 381.464 2.649 20 0 GFADRO O=C1[C@@H]([NH2+][C@@H](c2cncc(Br)c2)C2CC2)CCN1C1CCOCC1 ZINC000328914876 563468178 /nfs/dbraw/zinc/46/81/78/563468178.db2.gz QNONSZVYAAXCGT-DLBZAZTESA-N 1 0 394.313 2.665 20 0 GFADRO C[C@H]([NH2+]C1CCN(Cc2cccs2)CC1)c1ccc(S(N)(=O)=O)cc1 ZINC000377345843 563471387 /nfs/dbraw/zinc/47/13/87/563471387.db2.gz NEXRGCJKMHTIOE-AWEZNQCLSA-N 1 0 379.551 2.711 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)C(=O)N(Cc1cccs1)C1CC1)c1cccs1 ZINC000284450079 563475609 /nfs/dbraw/zinc/47/56/09/563475609.db2.gz PSYBYLKGBHTWNF-HNNXBMFYSA-N 1 0 377.535 2.720 20 0 GFADRO COc1ncc([C@H](C)[NH2+]CCS(=O)(=O)NCc2ccccc2)cc1Cl ZINC000284493962 563477170 /nfs/dbraw/zinc/47/71/70/563477170.db2.gz VJLKLOSDQWXQDI-ZDUSSCGKSA-N 1 0 383.901 2.514 20 0 GFADRO C[NH+](C)CCN1CCCN(C(=O)[C@H]2C[C@@H]2c2cccc(Br)c2)CC1 ZINC000377538079 563478617 /nfs/dbraw/zinc/47/86/17/563478617.db2.gz RWLANVANVDSMTH-MSOLQXFVSA-N 1 0 394.357 2.649 20 0 GFADRO O=S(=O)(c1cc(Br)sc1Cl)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000427951110 563479280 /nfs/dbraw/zinc/47/92/80/563479280.db2.gz OCQOLRZETYROIR-YUMQZZPRSA-N 1 0 385.736 2.537 20 0 GFADRO C[C@@H]1C[C@@H](C)CN(S(=O)(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)C1 ZINC000329445422 563480444 /nfs/dbraw/zinc/48/04/44/563480444.db2.gz NSHRYEPOBZVBAK-BRWVUGGUSA-N 1 0 385.599 2.772 20 0 GFADRO O=C1NC[C@@H]2C[N@H+](Cc3ncc(-c4ccccc4Br)o3)CC[C@@H]12 ZINC000377642344 563481765 /nfs/dbraw/zinc/48/17/65/563481765.db2.gz AYGDCHMIRPLQFU-VXGBXAGGSA-N 1 0 376.254 2.672 20 0 GFADRO CN(C(=O)CC[C@H]1CCCC[N@@H+]1C)[C@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000329523300 563482211 /nfs/dbraw/zinc/48/22/11/563482211.db2.gz GKBPUPFLRYGCKV-ZBFHGGJFSA-N 1 0 384.929 2.891 20 0 GFADRO Cc1cn2c(C[NH+]3CCC(C(=O)Nc4nncs4)CC3)c(C)nc2s1 ZINC000377723799 563484167 /nfs/dbraw/zinc/48/41/67/563484167.db2.gz XKLAEJZKKXPZHS-UHFFFAOYSA-N 1 0 376.511 2.715 20 0 GFADRO Cn1cncc1CNC(=O)[C@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000378051286 563494467 /nfs/dbraw/zinc/49/44/67/563494467.db2.gz RAYACEDXHDAQGE-LRDDRELGSA-N 1 0 381.263 2.563 20 0 GFADRO COC(=O)c1cc(C[NH2+]C[C@@H](CO)Cc2ccc(Br)cc2)c[nH]1 ZINC000428533433 563494617 /nfs/dbraw/zinc/49/46/17/563494617.db2.gz INFRYBXBIQJIOW-AWEZNQCLSA-N 1 0 381.270 2.505 20 0 GFADRO COC(=O)CN1CCC([NH2+][C@@H](c2cncc(Br)c2)C2CC2)CC1 ZINC000284989906 563498081 /nfs/dbraw/zinc/49/80/81/563498081.db2.gz IYPXCVQFCZSGIC-QGZVFWFLSA-N 1 0 382.302 2.522 20 0 GFADRO COC1(C[NH2+]Cc2nnc3c(Cl)cc(C(F)(F)F)cn23)CCOCC1 ZINC000428873087 563504112 /nfs/dbraw/zinc/50/41/12/563504112.db2.gz RJQVHFCHVSFOQY-UHFFFAOYSA-N 1 0 378.782 2.687 20 0 GFADRO C[C@@H]1CCC[N@@H+]1C1CCN(C(=O)c2cnn3cc(Br)cnc23)CC1 ZINC000378367359 563504702 /nfs/dbraw/zinc/50/47/02/563504702.db2.gz RSPGXYXJOCZGFJ-GFCCVEGCSA-N 1 0 392.301 2.581 20 0 GFADRO C[C@H]1CN(C(=O)c2ccc(Br)cc2)CCN1C1CC[NH+](C)CC1 ZINC000378369550 563504715 /nfs/dbraw/zinc/50/47/15/563504715.db2.gz KIZAAASWMOZFPX-AWEZNQCLSA-N 1 0 380.330 2.690 20 0 GFADRO C[NH+]1CCC(NC(=O)C(=O)N(Cc2ccc(Cl)c(Cl)c2)C2CC2)CC1 ZINC000285141291 563504834 /nfs/dbraw/zinc/50/48/34/563504834.db2.gz YUSXBHRMPRSAGM-UHFFFAOYSA-N 1 0 384.307 2.695 20 0 GFADRO O=S1(=O)CC[C@@]2(C1)C[C@@H]([NH2+]Cc1csc(-c3cccs3)n1)CCO2 ZINC000378465981 563507368 /nfs/dbraw/zinc/50/73/68/563507368.db2.gz YZOHJYUJMDGJDN-LRDDRELGSA-N 1 0 384.548 2.698 20 0 GFADRO COc1ccc(-c2nc(C)c([C@@H](C)[NH2+]CCS(=O)(=O)N(C)C)s2)cc1 ZINC000285283628 563512835 /nfs/dbraw/zinc/51/28/35/563512835.db2.gz ASCUERNPXROEQT-GFCCVEGCSA-N 1 0 383.539 2.669 20 0 GFADRO C[C@@H](C(=O)N[C@H](CO)C[NH+]1CCCCC1)c1ccc(Br)s1 ZINC000330608543 563513489 /nfs/dbraw/zinc/51/34/89/563513489.db2.gz MYYTWCBJPXFXEV-NEPJUHHUSA-N 1 0 375.332 2.577 20 0 GFADRO C[N@H+](CCCNS(=O)(=O)c1cncc(Br)c1)Cc1ccccc1 ZINC000379434180 563514519 /nfs/dbraw/zinc/51/45/19/563514519.db2.gz GLLXPKAVKOLGHA-UHFFFAOYSA-N 1 0 398.326 2.645 20 0 GFADRO Cc1cc(COc2ccc(C(=O)N(C)[C@H](C)C[NH3+])cc2Br)on1 ZINC000429323559 563514691 /nfs/dbraw/zinc/51/46/91/563514691.db2.gz XJNBSIFSWXFUOF-LLVKDONJSA-N 1 0 382.258 2.744 20 0 GFADRO C[C@@H]1CN(C(=O)c2cccn2-c2ccc(I)cc2)CC[NH2+]1 ZINC000429348130 563514698 /nfs/dbraw/zinc/51/46/98/563514698.db2.gz VYAAQEAIHJTALX-GFCCVEGCSA-N 1 0 395.244 2.516 20 0 GFADRO CC1(C)Cc2c(cccc2Br)[C@H]1[NH2+]CC(=O)NC1CCOCC1 ZINC000429402023 563516166 /nfs/dbraw/zinc/51/61/66/563516166.db2.gz GOQFIZWUNAKHIZ-QGZVFWFLSA-N 1 0 381.314 2.957 20 0 GFADRO C[NH2+]C[C@H](C)CNC(=O)c1ccc(OCc2cc(C)no2)c(Br)c1 ZINC000429409215 563516304 /nfs/dbraw/zinc/51/63/04/563516304.db2.gz VGRZJZGUDPPKBF-NSHDSACASA-N 1 0 396.285 2.910 20 0 GFADRO [NH3+]CC[C@@H](NC(=O)c1cc(Br)sc1Br)C(F)F ZINC000383260065 563516429 /nfs/dbraw/zinc/51/64/29/563516429.db2.gz FXBRBWQYZMLALS-RXMQYKEDSA-N 1 0 392.063 2.985 20 0 GFADRO COC[C@H]([NH2+]C[C@@H](CO)Cc1ccc(Br)cc1)C1CCOCC1 ZINC000429455739 563516825 /nfs/dbraw/zinc/51/68/25/563516825.db2.gz QJGGSGWDRHUUAF-YJBOKZPZSA-N 1 0 386.330 2.631 20 0 GFADRO COC[C@@H]([NH2+]C[C@H](CO)Cc1ccccc1Br)C1CCOCC1 ZINC000429458443 563516874 /nfs/dbraw/zinc/51/68/74/563516874.db2.gz WLUNGQQBVVURKB-RDTXWAMCSA-N 1 0 386.330 2.631 20 0 GFADRO CCN(CC)C(=O)C[C@H](C)[NH2+]C[C@H](CO)Cc1ccc(Br)cc1 ZINC000429455799 563517083 /nfs/dbraw/zinc/51/70/83/563517083.db2.gz QLMQXWLNACWHFI-GOEBONIOSA-N 1 0 385.346 2.837 20 0 GFADRO CC[C@](C)([NH3+])c1cn(CC(=O)N[C@H](C)c2ccc(Br)cc2)nn1 ZINC000384135619 563517153 /nfs/dbraw/zinc/51/71/53/563517153.db2.gz DJJDGHAGOPVJCY-BZNIZROVSA-N 1 0 380.290 2.502 20 0 GFADRO C[C@@H](CC[NH3+])NS(=O)(=O)c1c(Cl)cc(Br)cc1Cl ZINC000385393854 563517892 /nfs/dbraw/zinc/51/78/92/563517892.db2.gz IOMNLWFIKWNDDX-LURJTMIESA-N 1 0 376.103 2.772 20 0 GFADRO Cc1cc(I)ccc1NC(=O)C[NH2+]C(C)(C)C(C)(C)O ZINC000330756704 563520427 /nfs/dbraw/zinc/52/04/27/563520427.db2.gz HLJLHULZGUNLBR-UHFFFAOYSA-N 1 0 390.265 2.677 20 0 GFADRO O=C(C[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)Nc1ccc(Br)cn1 ZINC000429707184 563520924 /nfs/dbraw/zinc/52/09/24/563520924.db2.gz GODSUUGBCVRDKE-APHBMKBZSA-N 1 0 380.286 2.720 20 0 GFADRO O=C(C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)Nc1ccc(Br)cn1 ZINC000429707386 563521105 /nfs/dbraw/zinc/52/11/05/563521105.db2.gz GODSUUGBCVRDKE-MAZHCROVSA-N 1 0 380.286 2.720 20 0 GFADRO C[C@H]([NH2+]C[C@@H](CO)Cc1cccc(Br)c1)C(C)(C)n1cncn1 ZINC000285449713 563521284 /nfs/dbraw/zinc/52/12/84/563521284.db2.gz ZKVDKYKAJNMKHI-ZFWWWQNUSA-N 1 0 381.318 2.605 20 0 GFADRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)c1cc(Br)ccc1Br ZINC000389738178 563521985 /nfs/dbraw/zinc/52/19/85/563521985.db2.gz WQDLKEKHTFHULI-UFBFGSQYSA-N 1 0 376.092 2.939 20 0 GFADRO CC(C)NC(=O)[C@@H]1CCC[C@@H]([NH2+]Cc2c(Cl)cccc2S(C)(=O)=O)C1 ZINC000330824837 563522538 /nfs/dbraw/zinc/52/25/38/563522538.db2.gz FFGDFXMKTVVLGF-ZIAGYGMSSA-N 1 0 386.945 2.917 20 0 GFADRO COc1cccc([C@@H](C[NH2+]Cc2c(Br)c(C)nn2C)N(C)C)c1 ZINC000390336678 563522583 /nfs/dbraw/zinc/52/25/83/563522583.db2.gz IUUPGBAFUVVXIX-OAHLLOKOSA-N 1 0 381.318 2.892 20 0 GFADRO O[C@H](C[NH2+]CCOCc1ccccc1)COc1cccc(Br)c1 ZINC000390255582 563522638 /nfs/dbraw/zinc/52/26/38/563522638.db2.gz WLCVEWZPVNDPKU-QGZVFWFLSA-N 1 0 380.282 2.995 20 0 GFADRO Cc1ccc(NC(=O)C(=O)NCC2([NH+](C)C)CCCC2)cc1Br ZINC000330832486 563523104 /nfs/dbraw/zinc/52/31/04/563523104.db2.gz YYTXCZHOJSIUAH-UHFFFAOYSA-N 1 0 382.302 2.687 20 0 GFADRO C[C@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH2+][C@@H]1CC(=O)N(C)C1 ZINC000285532540 563525104 /nfs/dbraw/zinc/52/51/04/563525104.db2.gz SKHNXBQAWNAUEY-MWLCHTKSSA-N 1 0 377.794 2.896 20 0 GFADRO C[C@@H](O)C[C@H]1CCCCC[N@@H+]1Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000392248139 563526093 /nfs/dbraw/zinc/52/60/93/563526093.db2.gz GWFCSEPYWVQLOO-CZUORRHYSA-N 1 0 394.313 2.973 20 0 GFADRO C[C@H]1C[N@H+](CCCNS(=O)(=O)c2ccc(Cl)cc2Cl)CCCO1 ZINC000429886028 563527377 /nfs/dbraw/zinc/52/73/77/563527377.db2.gz NSWHHFOXDPMGJE-LBPRGKRZSA-N 1 0 381.325 2.773 20 0 GFADRO CC(=O)c1cc(Br)ccc1OCC(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000285619785 563529193 /nfs/dbraw/zinc/52/91/93/563529193.db2.gz KHTHYEPMYGDPQL-BLLLJJGKSA-N 1 0 397.313 2.829 20 0 GFADRO CC[NH+](CC)[C@H](CNC(=O)N1CCC(O)(C(F)F)CC1)c1ccsc1 ZINC000429939441 563529647 /nfs/dbraw/zinc/52/96/47/563529647.db2.gz AFLFPJQOLRLMLQ-CQSZACIVSA-N 1 0 375.485 2.933 20 0 GFADRO Cc1cc(S(=O)(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)sc1Cl ZINC000330998581 563530677 /nfs/dbraw/zinc/53/06/77/563530677.db2.gz DITJXWMLMVDNJH-NSHDSACASA-N 1 0 379.935 2.626 20 0 GFADRO O=C(C[C@H]1C[NH2+]CCO1)N1CCC(COc2cc(Cl)cc(Cl)c2)CC1 ZINC000430004465 563530925 /nfs/dbraw/zinc/53/09/25/563530925.db2.gz FZVGSCKRRMEHHO-KRWDZBQOSA-N 1 0 387.307 2.989 20 0 GFADRO C[C@H](NC(=O)CN1C[C@H](C[NH3+])[C@H](C)C[C@H]1C)c1ccc(Br)cc1 ZINC000397308391 563531955 /nfs/dbraw/zinc/53/19/55/563531955.db2.gz HVBVPXFEHCIHPD-NYTXWWLZSA-N 1 0 382.346 2.932 20 0 GFADRO CN(C)S(=O)(=O)[C@@H]1CCCN(Cc2csc(-c3ccccc3F)n2)C1 ZINC000285692610 563532204 /nfs/dbraw/zinc/53/22/04/563532204.db2.gz RVEHEMYMRYUECU-CQSZACIVSA-N 1 0 383.514 2.805 20 0 GFADRO CC(C)n1cc(Br)cc1C(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000331083871 563534273 /nfs/dbraw/zinc/53/42/73/563534273.db2.gz YYHPSVMSMIQNAT-OAHLLOKOSA-N 1 0 386.334 2.654 20 0 GFADRO C[C@@H]1CCCN(CC(=O)N(C)Cc2ccccc2Br)[C@H]1CC[NH3+] ZINC000404268355 563537303 /nfs/dbraw/zinc/53/73/03/563537303.db2.gz IXSHPPKECIQOEL-PBHICJAKSA-N 1 0 382.346 2.857 20 0 GFADRO CNS(=O)(=O)CCC[N@@H+]1CCC[C@H]1c1ccc(Br)c(C)c1 ZINC000430218596 563538502 /nfs/dbraw/zinc/53/85/02/563538502.db2.gz JKMUFZYXKQNGTA-HNNXBMFYSA-N 1 0 375.332 2.834 20 0 GFADRO C[C@H](Cc1ccc(Br)cc1)[NH2+][C@@H]1CCCC[C@@H]1NS(C)(=O)=O ZINC000331185909 563539400 /nfs/dbraw/zinc/53/94/00/563539400.db2.gz UNOKVYNYHBHPCD-WQVCFCJDSA-N 1 0 389.359 2.830 20 0 GFADRO CS[C@@H]1CN(C(=O)c2cc(Br)c(F)cc2F)C[C@@H]1[NH+](C)C ZINC000430265438 563539666 /nfs/dbraw/zinc/53/96/66/563539666.db2.gz FBFKOOOOUGAMIJ-QWHCGFSZSA-N 1 0 379.270 2.845 20 0 GFADRO Cc1[nH]c(=O)c(Br)cc1C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000285898741 563541292 /nfs/dbraw/zinc/54/12/92/563541292.db2.gz YARRADAJESDKBM-MLGOLLRUSA-N 1 0 394.313 2.947 20 0 GFADRO C[C@H]1CN(C(=O)CCOc2ccccc2Br)CC[N@@H+]1CC(C)(C)O ZINC000331279164 563543686 /nfs/dbraw/zinc/54/36/86/563543686.db2.gz AUDNWFBVHFJSIJ-AWEZNQCLSA-N 1 0 399.329 2.522 20 0 GFADRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NS(=O)(=O)c1cnccc1C(F)(F)F ZINC000331292958 563544336 /nfs/dbraw/zinc/54/43/36/563544336.db2.gz XJRPDTAKAMLCQD-JHJVBQTASA-N 1 0 379.448 2.745 20 0 GFADRO [NH3+]C[C@H](C(=O)N1CCC(n2cc(Br)cn2)CC1)c1ccccc1 ZINC000430529897 563544408 /nfs/dbraw/zinc/54/44/08/563544408.db2.gz FKLLXYFERJFPIQ-INIZCTEOSA-N 1 0 377.286 2.552 20 0 GFADRO CC(C)(C(=O)NC[C@@H]1CCCC[N@@H+]1CCO)c1ccc(Br)cc1 ZINC000331316662 563544896 /nfs/dbraw/zinc/54/48/96/563544896.db2.gz JIRVEXJSNDXNHL-INIZCTEOSA-N 1 0 383.330 2.690 20 0 GFADRO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2cn3ccc(Br)cc3n2)C1 ZINC000286019590 563545872 /nfs/dbraw/zinc/54/58/72/563545872.db2.gz JPNVGFXCUMUMRE-CYBMUJFWSA-N 1 0 379.302 2.901 20 0 GFADRO CC[NH2+]CC1CCN(CC(=O)Nc2c(F)cc(F)cc2Br)CC1 ZINC000430569203 563546124 /nfs/dbraw/zinc/54/61/24/563546124.db2.gz DURPJBGSACXEGW-UHFFFAOYSA-N 1 0 390.272 2.987 20 0 GFADRO C[C@H]([NH2+]CCCOc1ncc(C(F)(F)F)cc1Cl)c1ccc(=O)[nH]n1 ZINC000286030971 563546500 /nfs/dbraw/zinc/54/65/00/563546500.db2.gz JFRLZQTXVVDHMF-VIFPVBQESA-N 1 0 376.766 2.957 20 0 GFADRO O=S(=O)(c1ccc(Br)o1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000408214307 563547377 /nfs/dbraw/zinc/54/73/77/563547377.db2.gz MNASBYUOEMZONU-GFCCVEGCSA-N 1 0 377.304 2.681 20 0 GFADRO C[C@@H](O)CC(C)(C)C[NH2+][C@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430708885 563548242 /nfs/dbraw/zinc/54/82/42/563548242.db2.gz VIHRYBVOYNKWDV-GHMZBOCLSA-N 1 0 393.347 2.544 20 0 GFADRO C[C@H]([NH2+]C[C@H]1CCC(C)(C)O1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430752587 563548952 /nfs/dbraw/zinc/54/89/52/563548952.db2.gz HIYVBQOIVNTKLR-CMPLNLGQSA-N 1 0 391.331 2.705 20 0 GFADRO CN(C(=O)Cc1ccc(I)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000286168072 563551118 /nfs/dbraw/zinc/55/11/18/563551118.db2.gz JZFSLHNWHLNXPY-XYPWUTKMSA-N 1 0 398.288 2.917 20 0 GFADRO [NH3+]CC[C@H]1CCCCN1C(=O)c1cnn(-c2cccc(Br)c2)c1 ZINC000286175655 563551294 /nfs/dbraw/zinc/55/12/94/563551294.db2.gz RDWXWXODFIROQU-OAHLLOKOSA-N 1 0 377.286 2.978 20 0 GFADRO O[C@H](COCC(F)(F)F)C[N@@H+]1CCCN(Cc2ccc(Cl)cc2)CC1 ZINC000431123036 563554185 /nfs/dbraw/zinc/55/41/85/563554185.db2.gz WVZXRTPXPMTAMB-INIZCTEOSA-N 1 0 380.838 2.788 20 0 GFADRO C[N@@H+]1CCC[C@H]2CN(c3c(Br)cccc3S(C)(=O)=O)CC[C@@H]21 ZINC000286262579 563554413 /nfs/dbraw/zinc/55/44/13/563554413.db2.gz PYLDEGUPDKPZHM-JSGCOSHPSA-N 1 0 387.343 2.773 20 0 GFADRO C[NH+](C)[C@@H]1CCCN(C(=O)c2cnc3ccc(Br)cc3c2O)CC1 ZINC000408441636 563556298 /nfs/dbraw/zinc/55/62/98/563556298.db2.gz IPVOPZGQAQXMPM-CYBMUJFWSA-N 1 0 392.297 2.847 20 0 GFADRO Cc1ccc(Cl)c(OC[C@H](O)C[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)c1 ZINC000286342128 563557273 /nfs/dbraw/zinc/55/72/73/563557273.db2.gz FCIAPLDFISKSIT-MGPQQGTHSA-N 1 0 381.822 2.881 20 0 GFADRO CCS(=O)(=O)c1ccc(C[NH2+][C@@H](C)c2ccccc2-n2ccnn2)s1 ZINC000286369522 563557575 /nfs/dbraw/zinc/55/75/75/563557575.db2.gz ADVRYBKHAMHFBM-ZDUSSCGKSA-N 1 0 376.507 2.973 20 0 GFADRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000331701364 563558365 /nfs/dbraw/zinc/55/83/65/563558365.db2.gz BEVWVQJEMCAFRY-RBOXIYTFSA-N 1 0 384.307 2.794 20 0 GFADRO Ic1cnc(C[NH2+][C@@H]2CCO[C@@]3(CCSC3)C2)s1 ZINC000286480786 563561538 /nfs/dbraw/zinc/56/15/38/563561538.db2.gz LGZKIJNKMDIBIP-SKDRFNHKSA-N 1 0 396.319 2.892 20 0 GFADRO O=C(CC[N@@H+]1CC[C@@H](C(F)(F)F)[C@H](CO)C1)NCc1ccccc1Cl ZINC000286503802 563562700 /nfs/dbraw/zinc/56/27/00/563562700.db2.gz MMRQNDKBKNBVEA-UONOGXRCSA-N 1 0 378.822 2.839 20 0 GFADRO Brc1ccc2oc(C[N@@H+]3CC[C@@H](CN4CCOCC4)C3)nc2c1 ZINC000286523415 563564074 /nfs/dbraw/zinc/56/40/74/563564074.db2.gz SOQSSNMBPZTLLK-ZDUSSCGKSA-N 1 0 380.286 2.744 20 0 GFADRO COCC[NH+](CCOC)C1CCN(C(=O)c2cc(Cl)ncc2Cl)CC1 ZINC000286568925 563565948 /nfs/dbraw/zinc/56/59/48/563565948.db2.gz FYYGFDIUWQCHIV-UHFFFAOYSA-N 1 0 390.311 2.588 20 0 GFADRO CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)Nc2c(C)cc(C)cc2Br)C1 ZINC000431752406 563567975 /nfs/dbraw/zinc/56/79/75/563567975.db2.gz HFCHYDCIXUBSGW-AWEZNQCLSA-N 1 0 396.329 2.947 20 0 GFADRO CC1CC[NH+](C[C@H](O)CNC(=O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000409714232 563569465 /nfs/dbraw/zinc/56/94/65/563569465.db2.gz UZBCRTAOMXLQFJ-CYBMUJFWSA-N 1 0 375.296 2.581 20 0 GFADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)c2c(Cl)cc(F)cc2Cl)CC1 ZINC000431841997 563570148 /nfs/dbraw/zinc/57/01/48/563570148.db2.gz SAIGVYGMPRVICT-UHFFFAOYSA-N 1 0 390.286 2.805 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)c(Br)c1 ZINC000431969825 563572000 /nfs/dbraw/zinc/57/20/00/563572000.db2.gz ALLBDXSFIGLDRK-CABCVRRESA-N 1 0 394.313 2.747 20 0 GFADRO CN(C)c1cc(NC(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)ncc1Br ZINC000332039642 563572836 /nfs/dbraw/zinc/57/28/36/563572836.db2.gz KHQORABMMRLRGB-QWHCGFSZSA-N 1 0 382.306 2.658 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@H]32)cc1Br ZINC000332049612 563573800 /nfs/dbraw/zinc/57/38/00/563573800.db2.gz MONWTQLUKWUVNJ-XJKSGUPXSA-N 1 0 394.313 2.557 20 0 GFADRO C[C@H]([NH2+][C@@H]1CC(=O)N(C)[C@H]1c1ccnn1C)c1ccccc1Br ZINC000332054229 563573809 /nfs/dbraw/zinc/57/38/09/563573809.db2.gz YEYSGSFWXLTXFJ-FABXCBLPSA-N 1 0 377.286 2.805 20 0 GFADRO C[C@@H]1CN(C(=O)NC2CCN(Cc3cc(Cl)cc(Cl)c3)CC2)C[C@@H]1[NH3+] ZINC000332266988 563588704 /nfs/dbraw/zinc/58/87/04/563588704.db2.gz HYYXKKRFCZTCRL-PXAZEXFGSA-N 1 0 385.339 2.946 20 0 GFADRO CN(C)c1cc(NC(=O)N2CCC[C@@H]([NH+](C)C)CC2)ncc1Br ZINC000332271681 563589428 /nfs/dbraw/zinc/58/94/28/563589428.db2.gz DQBLXOYCZJZTJW-GFCCVEGCSA-N 1 0 384.322 2.858 20 0 GFADRO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)N1CCC(n2cc(Br)cn2)CC1 ZINC000332287520 563590542 /nfs/dbraw/zinc/59/05/42/563590542.db2.gz IVSDFBPLAWHRED-SWLSCSKDSA-N 1 0 384.322 2.510 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c(Br)c1 ZINC000332311856 563592147 /nfs/dbraw/zinc/59/21/47/563592147.db2.gz HWGSYNLOZBEYLZ-KCQAQPDRSA-N 1 0 394.313 2.590 20 0 GFADRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)c2nc(C)sc2Br)C1 ZINC000410539278 563592645 /nfs/dbraw/zinc/59/26/45/563592645.db2.gz JGRWLGULNYTJFT-GFCCVEGCSA-N 1 0 390.347 2.787 20 0 GFADRO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NCc1nn(C)cc1Br ZINC000432802768 563593980 /nfs/dbraw/zinc/59/39/80/563593980.db2.gz DZOGBTRKNCTFHL-XJKSGUPXSA-N 1 0 378.318 2.578 20 0 GFADRO CCn1cc(Br)cc1C(=O)N1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000332412088 563597734 /nfs/dbraw/zinc/59/77/34/563597734.db2.gz IIFZLHYTWAXLSD-ZBFHGGJFSA-N 1 0 384.318 2.629 20 0 GFADRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)c1cnc2ccc(Br)cc2c1O ZINC000332423367 563598080 /nfs/dbraw/zinc/59/80/80/563598080.db2.gz DFTXVABUFKCZGP-GFCCVEGCSA-N 1 0 392.297 2.704 20 0 GFADRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N(C)Cc2ccc(Cl)c(Cl)c2)C1 ZINC000411034017 563602982 /nfs/dbraw/zinc/60/29/82/563602982.db2.gz WTPUYDXBJYIBMN-AWEZNQCLSA-N 1 0 386.323 2.893 20 0 GFADRO O=C(Nc1cccc(I)c1)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000332541462 563603317 /nfs/dbraw/zinc/60/33/17/563603317.db2.gz DCSKKVKHCANCNU-JTNHKYCSSA-N 1 0 385.249 2.801 20 0 GFADRO C[C@@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH2+]Cc1cnnn1C ZINC000287499865 563604610 /nfs/dbraw/zinc/60/46/10/563604610.db2.gz YJEOKCBZRHDBLY-VIFPVBQESA-N 1 0 375.782 2.994 20 0 GFADRO O=C(Nc1cc(Cl)c(Cl)cc1Cl)C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000332569406 563604962 /nfs/dbraw/zinc/60/49/62/563604962.db2.gz VTCACEXJZJXPCH-PELKAZGASA-N 1 0 376.671 2.796 20 0 GFADRO O=C([C@H]1CC[N@@H+](C[C@@H](O)c2ccc(F)c(Br)c2)C1)N1CCCC1 ZINC000287510999 563605042 /nfs/dbraw/zinc/60/50/42/563605042.db2.gz ULXVXRBUEARVEP-XJKSGUPXSA-N 1 0 385.277 2.566 20 0 GFADRO COC(=O)c1cc(NC(=O)N2CC[C@@H](C[NH+](C)C)C2)c(C)cc1Br ZINC000287512963 563605130 /nfs/dbraw/zinc/60/51/30/563605130.db2.gz UVYCSNJMFBCRFM-LBPRGKRZSA-N 1 0 398.301 2.960 20 0 GFADRO CC(C)(C[NH2+]C1CCN(Cc2ccccc2Br)CC1)OCCO ZINC000287520302 563605149 /nfs/dbraw/zinc/60/51/49/563605149.db2.gz ZQKBATCHXRQTFU-UHFFFAOYSA-N 1 0 385.346 2.791 20 0 GFADRO COCC[N@H+](CC(=O)NCCOc1cccc(Cl)c1)[C@@H]1CCCSC1 ZINC000433188282 563605482 /nfs/dbraw/zinc/60/54/82/563605482.db2.gz CCVDGCJPFUQYLS-MRXNPFEDSA-N 1 0 386.945 2.679 20 0 GFADRO OCC[N@H+](C[C@@H](O)COc1ccc(Cl)cc1Cl)[C@@H]1CCCSC1 ZINC000433196963 563605564 /nfs/dbraw/zinc/60/55/64/563605564.db2.gz OGEDLKGMEPJKEE-ZIAGYGMSSA-N 1 0 380.337 2.923 20 0 GFADRO C[NH2+]C1CCN(C(=O)C(=O)N2CCc3cc(Cl)c(Cl)cc3[C@@H]2C)CC1 ZINC000332580189 563605741 /nfs/dbraw/zinc/60/57/41/563605741.db2.gz FRJNIQFRVSRYGY-NSHDSACASA-N 1 0 384.307 2.650 20 0 GFADRO NS(=O)(=O)c1ccc(OCC[N@@H+]2CC[C@@H](c3cccc(Cl)c3)C2)cc1 ZINC000433297496 563609498 /nfs/dbraw/zinc/60/94/98/563609498.db2.gz WJQGNJVEPDPORK-OAHLLOKOSA-N 1 0 380.897 2.856 20 0 GFADRO C[C@@H]1CCN(C(=O)N[C@@H]2CCN(c3ccccc3Br)C2)C[C@H]1C[NH3+] ZINC000332666431 563611060 /nfs/dbraw/zinc/61/10/60/563611060.db2.gz LWVZUDGNNOIAOS-RBSFLKMASA-N 1 0 395.345 2.654 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)N[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000332688880 563611753 /nfs/dbraw/zinc/61/17/53/563611753.db2.gz QLUXOMISMGCKLU-QRTARXTBSA-N 1 0 395.345 2.939 20 0 GFADRO Cc1cc(NC(=O)C(=O)N[C@H](C)C2=CC[N@H+](C)CC2)c(F)cc1Br ZINC000287700049 563614025 /nfs/dbraw/zinc/61/40/25/563614025.db2.gz IZLDWODWESFZBB-LLVKDONJSA-N 1 0 398.276 2.602 20 0 GFADRO C[C@H]1CN(c2ncnc(N)c2Cl)CCN1C(=O)Cc1cccc(Cl)c1 ZINC000433761163 563619109 /nfs/dbraw/zinc/61/91/09/563619109.db2.gz YKSHZRSCKVYNFS-NSHDSACASA-N 1 0 380.279 2.645 20 0 GFADRO C[C@@H]1CN(C(=O)Nc2ccc3nccnc3c2Br)C[C@@H]1[NH+](C)C ZINC000287820781 563619187 /nfs/dbraw/zinc/61/91/87/563619187.db2.gz VKTMNFYCHVKNBY-MFKMUULPSA-N 1 0 378.274 2.806 20 0 GFADRO CCOC(=O)[C@H]1CCCN(C(=O)C[NH2+][C@H](C)c2ccc(Br)cc2)C1 ZINC000411435173 563619533 /nfs/dbraw/zinc/61/95/33/563619533.db2.gz BPXXLAZBJPYLPC-HIFRSBDPSA-N 1 0 397.313 2.901 20 0 GFADRO [NH3+][C@@H]1CCCO[C@H]1C1CCN(C(=O)Nc2nc(C(F)(F)F)cs2)CC1 ZINC000333139372 563621898 /nfs/dbraw/zinc/62/18/98/563621898.db2.gz KRQLJYNODNYOKB-PWSUYJOCSA-N 1 0 378.420 2.912 20 0 GFADRO CNC(=O)NC(=O)CC[NH2+][C@@H](CC(F)(F)F)c1ccc(Br)cc1 ZINC000411531401 563622205 /nfs/dbraw/zinc/62/22/05/563622205.db2.gz WZLPHVBMVFSYAI-NSHDSACASA-N 1 0 396.207 2.878 20 0 GFADRO O=C(Nc1cc(Br)ccc1-n1cccn1)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000333181669 563623225 /nfs/dbraw/zinc/62/32/25/563623225.db2.gz PXBZOGUVDKGHLW-STQMWFEESA-N 1 0 390.285 2.708 20 0 GFADRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)Nc3cc(Br)ccc3-n3cccn3)C[C@@H]12 ZINC000333223326 563624823 /nfs/dbraw/zinc/62/48/23/563624823.db2.gz WZEGWXDJFFEJCP-IACUBPJLSA-N 1 0 390.285 2.836 20 0 GFADRO O=C(c1cnn([C@@H]2CCC[NH2+]C2)c1)N1CCc2ccc(Br)cc21 ZINC000333250400 563625509 /nfs/dbraw/zinc/62/55/09/563625509.db2.gz GQLLMLIWKWIULV-OAHLLOKOSA-N 1 0 375.270 2.773 20 0 GFADRO CS[C@@H]1CN(c2cc(Br)cnc2C(N)=O)C[C@H]1[NH+]1CCCC1 ZINC000333255614 563626255 /nfs/dbraw/zinc/62/62/55/563626255.db2.gz ZIDGBNWYVVWYGL-CHWSQXEVSA-N 1 0 385.331 2.743 20 0 GFADRO [NH3+][C@H]1CCCO[C@H]1C1CCN(C(=O)Cc2ccc(Br)s2)CC1 ZINC000333281279 563626621 /nfs/dbraw/zinc/62/66/21/563626621.db2.gz MNQUZZFPWZHZFC-BBRMVZONSA-N 1 0 387.343 2.798 20 0 GFADRO CCCN(CC[NH+]1CCCCC1)C(=O)C(=O)Nc1ccc(Br)nc1 ZINC000288055438 563627558 /nfs/dbraw/zinc/62/75/58/563627558.db2.gz JODGYQANZNACJM-UHFFFAOYSA-N 1 0 397.317 2.507 20 0 GFADRO O=C(Nc1nnc(-c2c(F)cccc2Cl)s1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000333334242 563628578 /nfs/dbraw/zinc/62/85/78/563628578.db2.gz OSVWSIXNLJZOIT-ZJUUUORDSA-N 1 0 381.864 3.356 20 0 GFADRO Cn1cc(Br)cc(NC(=O)c2ccc([NH+]=c3cc[nH]cc3)cc2)c1=O ZINC000434343889 563630045 /nfs/dbraw/zinc/63/00/45/563630045.db2.gz XYOOAJOILWPAPH-UHFFFAOYSA-N 1 0 399.248 2.961 20 0 GFADRO Cc1c(Cl)cncc1NC(=O)C(=O)N(CC[NH+](C)C)Cc1ccsc1 ZINC000411693551 563630477 /nfs/dbraw/zinc/63/04/77/563630477.db2.gz LXOGVXJURVWDBQ-UHFFFAOYSA-N 1 0 380.901 2.634 20 0 GFADRO C[C@@](CO)([NH2+]CCC(=O)Nc1ccccc1Br)c1cccc(O)c1 ZINC000411740943 563632337 /nfs/dbraw/zinc/63/23/37/563632337.db2.gz ZEJUZCJIMLGEOD-SFHVURJKSA-N 1 0 393.281 2.981 20 0 GFADRO Cc1cc(Br)ccc1CNC(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000333462366 563633357 /nfs/dbraw/zinc/63/33/57/563633357.db2.gz ZHFIGMLCJUSEID-SJORKVTESA-N 1 0 396.329 2.795 20 0 GFADRO O=C(NCCc1nc(C(F)(F)F)cs1)N1CCC2(CC[NH2+]CC2)CC1 ZINC000333458771 563633445 /nfs/dbraw/zinc/63/34/45/563633445.db2.gz YSPZNDIFAVGXNN-UHFFFAOYSA-N 1 0 376.448 2.880 20 0 GFADRO C[C@H](C(=O)Nc1cccc(I)c1)[N@H+](C)CCCCCO ZINC000434668977 563634308 /nfs/dbraw/zinc/63/43/08/563634308.db2.gz FIHFZJDLLGWGQN-GFCCVEGCSA-N 1 0 390.265 2.713 20 0 GFADRO CC1(c2ccc(Br)cc2)CCN(C(=O)NC[C@@H]2C[NH2+]CCO2)CC1 ZINC000333496983 563634098 /nfs/dbraw/zinc/63/40/98/563634098.db2.gz HIWQEVBDTRBFNM-INIZCTEOSA-N 1 0 396.329 2.501 20 0 GFADRO [NH3+][C@H]1CCO[C@@H](C2CCN(S(=O)(=O)c3cc(Cl)sc3Cl)CC2)C1 ZINC000333478977 563634108 /nfs/dbraw/zinc/63/41/08/563634108.db2.gz BWWQMQJAPDOPNR-WDEREUQCSA-N 1 0 399.365 2.962 20 0 GFADRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)NCc3cc4cc(Br)ccc4[nH]3)C[C@@H]12 ZINC000333615354 563636566 /nfs/dbraw/zinc/63/65/66/563636566.db2.gz RBGAICUAQUYFAB-VCTAVGKDSA-N 1 0 377.286 2.809 20 0 GFADRO O=C(NCc1cc2cc(Br)ccc2[nH]1)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000333652960 563638101 /nfs/dbraw/zinc/63/81/01/563638101.db2.gz WBCAPRYRGBKNIX-DGCLKSJQSA-N 1 0 377.286 2.681 20 0 GFADRO COCC(COC)[NH+]1CCN(CCOc2cc(Cl)cc(Cl)c2)CC1 ZINC000411868270 563638464 /nfs/dbraw/zinc/63/84/64/563638464.db2.gz YOEPEKGYYOSKHY-UHFFFAOYSA-N 1 0 377.312 2.651 20 0 GFADRO [NH3+][C@@H]1CCO[C@H](C2CCN(S(=O)(=O)c3csc4ccccc43)CC2)C1 ZINC000333669198 563638632 /nfs/dbraw/zinc/63/86/32/563638632.db2.gz MVGQMQAJRQRBNR-ZBFHGGJFSA-N 1 0 380.535 2.808 20 0 GFADRO O[C@H](COc1ccc(Br)cc1)C[N@@H+]1C[C@H](O)C[C@H]1c1ccccc1 ZINC000411908440 563641000 /nfs/dbraw/zinc/64/10/00/563641000.db2.gz DJXLRXIYNQOKJC-AOIWGVFYSA-N 1 0 392.293 2.997 20 0 GFADRO O=C(c1cc2c(c(Br)c1)OCO2)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000333769334 563641911 /nfs/dbraw/zinc/64/19/11/563641911.db2.gz BUJUAQAGRDFNFW-FZMZJTMJSA-N 1 0 381.270 2.782 20 0 GFADRO C[C@@H]1CN(CC[N@H+](C)Cc2cc(Br)c3c(c2)OCCO3)C[C@H](C)O1 ZINC000435053117 563642100 /nfs/dbraw/zinc/64/21/00/563642100.db2.gz ZXEKEJRHFOEECA-OKILXGFUSA-N 1 0 399.329 2.761 20 0 GFADRO C[C@@H](CN1CCOCC1)[N@H+](C)Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000435050352 563642545 /nfs/dbraw/zinc/64/25/45/563642545.db2.gz SDKYTUVONOYARC-HNNXBMFYSA-N 1 0 393.329 2.787 20 0 GFADRO CNC(=O)CCC[N@H+](C)Cc1ccc(I)c(Cl)c1 ZINC000436111429 563664133 /nfs/dbraw/zinc/66/41/33/563664133.db2.gz PDJNVJGJVULTOB-UHFFFAOYSA-N 1 0 380.657 2.903 20 0 GFADRO [NH3+][C@H]1CCCO[C@@H]1C1CCN(C(=O)c2ccc(Br)cc2F)CC1 ZINC000333820161 563643103 /nfs/dbraw/zinc/64/31/03/563643103.db2.gz KTHZEBDVEUDSTK-JKSUJKDBSA-N 1 0 385.277 2.947 20 0 GFADRO OC[C@@H]([NH2+]CCOc1ccc(Cl)cc1Br)[C@@H]1CCCOC1 ZINC000411991895 563643374 /nfs/dbraw/zinc/64/33/74/563643374.db2.gz YMUCTSHCYOQMRW-BXUZGUMPSA-N 1 0 378.694 2.858 20 0 GFADRO C[C@@H](NC(=O)C[NH2+]C(C)(C)CN1CCOCC1)c1ccc(Cl)c(Cl)c1 ZINC000412001663 563644099 /nfs/dbraw/zinc/64/40/99/563644099.db2.gz HLKIFMZVLGNWAI-CYBMUJFWSA-N 1 0 388.339 2.871 20 0 GFADRO [NH3+][C@@H]1CCCO[C@H]1C1CCN(C(=O)NCc2ccccc2Br)CC1 ZINC000333941245 563646544 /nfs/dbraw/zinc/64/65/44/563646544.db2.gz OVPCSSUZUNRKLD-SJORKVTESA-N 1 0 396.329 2.877 20 0 GFADRO CCOc1c(Br)cc(C(=O)N(C2CC2)[C@H]2CC[NH2+]C2)cc1OC ZINC000435236643 563646754 /nfs/dbraw/zinc/64/67/54/563646754.db2.gz TXQGPYZLRHRSDI-ZDUSSCGKSA-N 1 0 383.286 2.823 20 0 GFADRO CC(C)[N@H+](C[C@@H](O)COc1cc(Cl)ccc1Cl)C[C@@H]1CCC(=O)N1 ZINC000412089532 563647530 /nfs/dbraw/zinc/64/75/30/563647530.db2.gz SXAYJRIUPAXWCF-UONOGXRCSA-N 1 0 375.296 2.722 20 0 GFADRO CO[C@H]1CCN(Cc2nc(-c3cccc(Br)c3)c[nH]2)[C@H](C[NH3+])C1 ZINC000435382218 563648745 /nfs/dbraw/zinc/64/87/45/563648745.db2.gz CFZYWDWYBSVHSJ-GJZGRUSLSA-N 1 0 379.302 2.777 20 0 GFADRO COCCOCCN(C)Cc1nc(-c2cc(Br)cs2)no1 ZINC000288585765 563648765 /nfs/dbraw/zinc/64/87/65/563648765.db2.gz CSVCUYIJFDRICZ-UHFFFAOYSA-N 1 0 376.276 2.655 20 0 GFADRO CCO[C@H](CC[NH+](C)C)CNS(=O)(=O)c1c(Cl)cc(F)cc1Cl ZINC000435422094 563649736 /nfs/dbraw/zinc/64/97/36/563649736.db2.gz MOZKUGBOWLUKOU-LLVKDONJSA-N 1 0 387.304 2.768 20 0 GFADRO COCc1nc(C(=O)N(Cc2nccs2)[C@H]2CC23CC[NH2+]CC3)cs1 ZINC000435570777 563653782 /nfs/dbraw/zinc/65/37/82/563653782.db2.gz YSIKTASTGFSKKO-ZDUSSCGKSA-N 1 0 378.523 2.531 20 0 GFADRO Cc1ncsc1CN(C[C@@H]1CC[NH2+]C1)C(=O)CSC[C@@H]1CCCCO1 ZINC000435603138 563654229 /nfs/dbraw/zinc/65/42/29/563654229.db2.gz YZMZNLSBPTYEEL-CVEARBPZSA-N 1 0 383.583 2.692 20 0 GFADRO CN(C(=O)[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)[C@@H]1CCC[NH2+]CC1 ZINC000435753370 563657440 /nfs/dbraw/zinc/65/74/40/563657440.db2.gz QYMBSGYNXSUWIH-OCCSQVGLSA-N 1 0 384.307 2.947 20 0 GFADRO CC(C)(O)C1C[NH+](C[C@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000435908937 563660035 /nfs/dbraw/zinc/66/00/35/563660035.db2.gz RDPQCEVPPBNZFO-LBPRGKRZSA-N 1 0 378.694 2.545 20 0 GFADRO Cc1cc([C@@H]2CCCN2C(=O)[C@@H]2C[N@@H+]3CCN2CCC3)ccc1Br ZINC000435971188 563661337 /nfs/dbraw/zinc/66/13/37/563661337.db2.gz YDBYVDXXDCSZLL-ROUUACIJSA-N 1 0 392.341 2.811 20 0 GFADRO O=C([C@H]1C[N@@H+]2CCN1CCC2)N1CCC[C@@H]1c1ccc(Br)c(F)c1 ZINC000435969706 563661409 /nfs/dbraw/zinc/66/14/09/563661409.db2.gz YUQVSVNWDZNSND-IAGOWNOFSA-N 1 0 396.304 2.642 20 0 GFADRO CC1CC[NH+]([C@@H](CN2C(=O)[C@H]3CSCCN3C2=O)c2cccs2)CC1 ZINC000349293362 563661497 /nfs/dbraw/zinc/66/14/97/563661497.db2.gz GMFQVIUPXYXGAV-LSDHHAIUSA-N 1 0 379.551 2.901 20 0 GFADRO C[C@H](NC(=O)NCC1CC[NH+](CCO)CC1)c1ccc(Br)s1 ZINC000436142739 563664935 /nfs/dbraw/zinc/66/49/35/563664935.db2.gz RSSDFJZCXQJCRQ-NSHDSACASA-N 1 0 390.347 2.575 20 0 GFADRO Cc1cnn(C)c1C[N@@H+]1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000289015531 563665025 /nfs/dbraw/zinc/66/50/25/563665025.db2.gz FWKCLCPXUQJUIQ-CYBMUJFWSA-N 1 0 392.301 2.737 20 0 GFADRO O=C(N[C@H]1CCN(c2ccccc2Br)C1)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000436279895 563668443 /nfs/dbraw/zinc/66/84/43/563668443.db2.gz AGQLBUSUVZTSKT-QWQRMKEZSA-N 1 0 378.314 2.534 20 0 GFADRO Cc1nc2c(s1)[C@@H]([NH2+]CCN(C)S(=O)(=O)c1ccc(F)cc1)CCC2 ZINC000436282573 563668606 /nfs/dbraw/zinc/66/86/06/563668606.db2.gz HHXYMSIMWJWKBX-HNNXBMFYSA-N 1 0 383.514 2.878 20 0 GFADRO Cc1ccc(S(=O)(=O)NCC[NH2+]Cc2c[nH]nc2-c2ccsc2)s1 ZINC000436282183 563668640 /nfs/dbraw/zinc/66/86/40/563668640.db2.gz GJZDNOSBSDUPCI-UHFFFAOYSA-N 1 0 382.536 2.576 20 0 GFADRO FC(F)(F)COc1ncccc1CNCc1cnc(C2OCCO2)s1 ZINC000289226331 563672437 /nfs/dbraw/zinc/67/24/37/563672437.db2.gz JUXJTOJANBCDEP-UHFFFAOYSA-N 1 0 375.372 2.814 20 0 GFADRO COC(=O)c1cc(C[N@@H+]2CCC[C@H](CNC(=O)C(F)(F)F)C2)c(C)s1 ZINC000289396053 563673495 /nfs/dbraw/zinc/67/34/95/563673495.db2.gz FCCBSIAZEKJINB-LLVKDONJSA-N 1 0 378.416 2.734 20 0 GFADRO C[C@](O)(CNCc1cn(-c2ccccc2Br)nn1)c1ccco1 ZINC000289399355 563673973 /nfs/dbraw/zinc/67/39/73/563673973.db2.gz ABICMNYBHNFZTR-INIZCTEOSA-N 1 0 377.242 2.620 20 0 GFADRO O=C([N-]C[C@@H]1CCC[N@@H+](C[C@H](O)c2ccc(F)cc2Cl)C1)C(F)(F)F ZINC000289454539 563674667 /nfs/dbraw/zinc/67/46/67/563674667.db2.gz LJBYYJNBJGEAIG-HZMBPMFUSA-N 1 0 382.785 2.903 20 0 GFADRO COCCCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cc(F)ccc1Cl ZINC000289530591 563677459 /nfs/dbraw/zinc/67/74/59/563677459.db2.gz LVNWGUYDYNZTLT-UHFFFAOYSA-N 1 0 378.897 2.601 20 0 GFADRO C[C@@]1(C[C@H]2CCC[N@@H+]2Cc2ccc(Br)cc2F)NC(=O)NC1=O ZINC000289699035 563683675 /nfs/dbraw/zinc/68/36/75/563683675.db2.gz ONJJWODHZFITFN-WBMJQRKESA-N 1 0 384.249 2.541 20 0 GFADRO C[C@@]1(C[C@H]2CCC[N@@H+]2Cc2cc(F)ccc2Br)NC(=O)NC1=O ZINC000289716039 563684340 /nfs/dbraw/zinc/68/43/40/563684340.db2.gz PCUMIXYUYPHMBO-WBMJQRKESA-N 1 0 384.249 2.541 20 0 GFADRO C[NH+](C)[C@H]1CCN(c2ccc(NC(=O)CSCc3cscn3)nc2)C1 ZINC000437104068 563689032 /nfs/dbraw/zinc/68/90/32/563689032.db2.gz CJRDRSZKUSIRTF-HNNXBMFYSA-N 1 0 377.539 2.550 20 0 GFADRO Cc1cnc(NC(=O)[C@@H]2CSCN2C(=O)[C@H](C)[NH+]2[C@@H](C)CC[C@@H]2C)s1 ZINC000413335173 563689522 /nfs/dbraw/zinc/68/95/22/563689522.db2.gz IPGIVRQUZNADKN-IMIFBBOLSA-N 1 0 382.555 2.553 20 0 GFADRO O=C(c1csc(-c2ccc(Cl)s2)n1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000289915267 563690932 /nfs/dbraw/zinc/69/09/32/563690932.db2.gz NPDXIPRSZJUTNK-NSHDSACASA-N 1 0 382.942 2.645 20 0 GFADRO Cc1cc(Br)oc1C(=O)N[C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@H]1C ZINC000360535499 563692812 /nfs/dbraw/zinc/69/28/12/563692812.db2.gz CUECBFMZSLIZFF-HZSPNIEDSA-N 1 0 385.302 2.970 20 0 GFADRO COC(=O)[C@H]1CN(c2nccc3cc(Br)ccc32)CC[N@H+](C)C1 ZINC000413505554 563695311 /nfs/dbraw/zinc/69/53/11/563695311.db2.gz VAPNFCAALHNEOW-CYBMUJFWSA-N 1 0 378.270 2.538 20 0 GFADRO COC(=O)[C@H]1CN(c2ccc3cccc(Br)c3n2)CC[N@H+](C)C1 ZINC000413511613 563695442 /nfs/dbraw/zinc/69/54/42/563695442.db2.gz ZXGYUQVKXMGPER-CYBMUJFWSA-N 1 0 378.270 2.538 20 0 GFADRO C[C@@H]1CN(C(=O)c2cc(Cl)c(N)c(Cl)c2)CCN1C1CC[NH+](C)CC1 ZINC000361085471 563697175 /nfs/dbraw/zinc/69/71/75/563697175.db2.gz FVKQBBHABHUMCT-GFCCVEGCSA-N 1 0 385.339 2.816 20 0 GFADRO O=C(CC[C@@H]1CC[NH2+]C1)N1CCC[C@H]1C(=O)Nc1ccc(Br)cc1 ZINC000361224741 563697652 /nfs/dbraw/zinc/69/76/52/563697652.db2.gz WQBJZRCWZMPMIC-CJNGLKHVSA-N 1 0 394.313 2.768 20 0 GFADRO Cn1c2ccc(C(F)(F)F)cc2nc1C[NH2+]C[C@@H]1CCCS(=O)(=O)C1 ZINC000290101862 563698094 /nfs/dbraw/zinc/69/80/94/563698094.db2.gz KHPKRUBZOXWONV-NSHDSACASA-N 1 0 375.416 2.507 20 0 GFADRO O=S1(=O)CCC[C@H](C[NH2+]Cc2nc(-c3ccc(Br)cc3)c[nH]2)C1 ZINC000290095361 563698184 /nfs/dbraw/zinc/69/81/84/563698184.db2.gz JXOFKCAGHWKQRQ-GFCCVEGCSA-N 1 0 398.326 2.754 20 0 GFADRO CCOc1c(Br)cc(C[N@H+](C)CCOCCOC)cc1OC ZINC000290164521 563700280 /nfs/dbraw/zinc/70/02/80/563700280.db2.gz MGEHJMSNZVEQIA-UHFFFAOYSA-N 1 0 376.291 2.951 20 0 GFADRO CN1CCC([NH+]2CCC(CCNC(=O)C[C@H]3CSCCS3)CC2)CC1 ZINC000361901873 563701946 /nfs/dbraw/zinc/70/19/46/563701946.db2.gz WPBZDLUMHJZSRL-SFHVURJKSA-N 1 0 385.643 2.538 20 0 GFADRO O=C(CN1CC[NH+]([C@H]2CCSC2)CC1)Nc1ccc(Br)cc1 ZINC000361940604 563702200 /nfs/dbraw/zinc/70/22/00/563702200.db2.gz BVBHJBWXXKBJRA-HNNXBMFYSA-N 1 0 384.343 2.511 20 0 GFADRO CCOC(=O)C[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)c1cccc(Br)c1 ZINC000413716227 563703022 /nfs/dbraw/zinc/70/30/22/563703022.db2.gz OGXURRXHAOMXHJ-HUUCEWRRSA-N 1 0 385.302 2.900 20 0 GFADRO Cc1ccc(Br)c(CNC(=O)N(C)CCC[N@@H+](C)CCN(C)C)c1 ZINC000413723921 563703119 /nfs/dbraw/zinc/70/31/19/563703119.db2.gz HZIMMGHPBHEYPU-UHFFFAOYSA-N 1 0 399.377 2.782 20 0 GFADRO C[NH+](C)[C@]1(CNC(=O)c2cc(Cl)ncc2Br)CCSC1 ZINC000290362788 563707011 /nfs/dbraw/zinc/70/70/11/563707011.db2.gz LTEOGEMFVJBFOY-ZDUSSCGKSA-N 1 0 378.723 2.665 20 0 GFADRO COC(=O)[C@H]1CN(C(=O)C[C@@H](C)c2ccc(Br)cc2)CC[N@H+](C)C1 ZINC000413898706 563709544 /nfs/dbraw/zinc/70/95/44/563709544.db2.gz ISJXDSGSJXZCLV-UKRRQHHQSA-N 1 0 397.313 2.506 20 0 GFADRO CCN(Cc1cccc(Br)c1)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000438697341 563709589 /nfs/dbraw/zinc/70/95/89/563709589.db2.gz POQVVWNDENABKJ-UHFFFAOYSA-N 1 0 394.317 3.261 20 0 GFADRO COC(=O)[C@H]1CN(C(=O)C[C@H](C)c2ccc(Br)cc2)CC[N@H+](C)C1 ZINC000413898704 563709858 /nfs/dbraw/zinc/70/98/58/563709858.db2.gz ISJXDSGSJXZCLV-DZGCQCFKSA-N 1 0 397.313 2.506 20 0 GFADRO COC(=O)[C@@H]1CN(C(=O)C[C@@H](C)c2ccc(Br)cc2)CC[N@H+](C)C1 ZINC000413898705 563710005 /nfs/dbraw/zinc/71/00/05/563710005.db2.gz ISJXDSGSJXZCLV-HIFRSBDPSA-N 1 0 397.313 2.506 20 0 GFADRO Cn1cc(Br)c(C(=O)Nc2ccc(OCC[NH+](C)C)cc2F)n1 ZINC000413921577 563711189 /nfs/dbraw/zinc/71/11/89/563711189.db2.gz XZMZYSPOLWQZKU-UHFFFAOYSA-N 1 0 385.237 2.514 20 0 GFADRO Cn1ncc(Br)c1C(=O)Nc1ccc(OCC[NH+](C)C)cc1F ZINC000413921335 563711411 /nfs/dbraw/zinc/71/14/11/563711411.db2.gz XHIGUEUJRKEIBF-UHFFFAOYSA-N 1 0 385.237 2.514 20 0 GFADRO C[N@H+](CCc1ccccn1)C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000438843350 563712404 /nfs/dbraw/zinc/71/24/04/563712404.db2.gz VHONQBFQDIUEMO-MRXNPFEDSA-N 1 0 383.261 2.897 20 0 GFADRO C[C@H]1C[N@@H+](C2CCN(CC(=O)N(C)Cc3ccc(Cl)s3)CC2)CCO1 ZINC000363040562 563712496 /nfs/dbraw/zinc/71/24/96/563712496.db2.gz XSLGJWMWZOOBPJ-AWEZNQCLSA-N 1 0 385.961 2.545 20 0 GFADRO Cn1c(COc2ccccc2Cl)nnc1SC[C@@H](O)C[N@H+](C)C1CC1 ZINC000290526112 563712736 /nfs/dbraw/zinc/71/27/36/563712736.db2.gz CWNPBNXMTQNSEC-ZDUSSCGKSA-N 1 0 382.917 2.595 20 0 GFADRO C[N@H+](C[C@H](O)CSc1n[nH]c(-c2ccccc2Br)n1)C1CC1 ZINC000290537710 563713674 /nfs/dbraw/zinc/71/36/74/563713674.db2.gz DWKAUPWBOVPYIX-NSHDSACASA-N 1 0 383.315 2.781 20 0 GFADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1cc2c(cccc2Br)[nH]1 ZINC000363087506 563714296 /nfs/dbraw/zinc/71/42/96/563714296.db2.gz ATHIDFIQEQIBEM-RYUDHWBXSA-N 1 0 378.270 2.523 20 0 GFADRO OCC[N@H+](C[C@H](O)COc1ccccc1C(F)(F)F)[C@H]1CCCSC1 ZINC000439013082 563715477 /nfs/dbraw/zinc/71/54/77/563715477.db2.gz ZYAUYPMKKPZNAT-KBPBESRZSA-N 1 0 379.444 2.635 20 0 GFADRO CC(C)Cn1cnc(S(=O)(=O)NC[C@@H]2CC[N@H+](C)[C@@H]2c2cccs2)c1 ZINC000363157446 563715807 /nfs/dbraw/zinc/71/58/07/563715807.db2.gz HLUOSCLYYNYGLH-YOEHRIQHSA-N 1 0 382.555 2.572 20 0 GFADRO CC[NH+](CC)CCN(c1cccc(Br)c1)S(=O)(=O)CCOC ZINC000439132072 563717560 /nfs/dbraw/zinc/71/75/60/563717560.db2.gz GCEMVXGXKIENNJ-UHFFFAOYSA-N 1 0 393.347 2.574 20 0 GFADRO CC[C@@H]1C[N@H+](C)CCCN1S(=O)(=O)c1cc(C)ccc1Br ZINC000439212915 563720113 /nfs/dbraw/zinc/72/01/13/563720113.db2.gz HDHHWFSAFIBXAA-CYBMUJFWSA-N 1 0 375.332 2.862 20 0 GFADRO O=C(CC[NH+]1CCC(c2nnc[nH]2)CC1)Nc1ccc(Br)cc1 ZINC000363365249 563720679 /nfs/dbraw/zinc/72/06/79/563720679.db2.gz HHPRKODNDDBVDZ-UHFFFAOYSA-N 1 0 378.274 2.775 20 0 GFADRO COCC[C@@H](C)C[NH2+][C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000414213624 563722528 /nfs/dbraw/zinc/72/25/28/563722528.db2.gz YDWAVXYDHLEHHZ-RISCZKNCSA-N 1 0 376.316 2.930 20 0 GFADRO CCS(=O)(=O)NCC[NH+]1CCC(c2cccc(Br)c2)CC1 ZINC000439323337 563722754 /nfs/dbraw/zinc/72/27/54/563722754.db2.gz MPZLXWSIZWJSEQ-UHFFFAOYSA-N 1 0 375.332 2.568 20 0 GFADRO CN(C)S(=O)(=O)CCC[NH+]1CCC(c2cccc(Br)c2)CC1 ZINC000439328120 563722996 /nfs/dbraw/zinc/72/29/96/563722996.db2.gz WVIZGBMMHBBLSN-UHFFFAOYSA-N 1 0 389.359 2.910 20 0 GFADRO C[C@H]([NH2+]C[C@H](N1CCOCC1)C(F)(F)F)c1ccc(Br)nc1 ZINC000290834161 563723533 /nfs/dbraw/zinc/72/35/33/563723533.db2.gz XZOXGNZHZCBLPH-JQWIXIFHSA-N 1 0 382.224 2.758 20 0 GFADRO O[C@H](COc1cc(F)cc(Br)c1)C[N@H+](C[C@H]1CCOC1)C1CC1 ZINC000439434730 563724488 /nfs/dbraw/zinc/72/44/88/563724488.db2.gz CGMJMBZONCQBDR-WBMJQRKESA-N 1 0 388.277 2.829 20 0 GFADRO CN(C[C@H](O)COc1cc(F)cc(Br)c1)CC1([NH+](C)C)CCC1 ZINC000439436826 563724916 /nfs/dbraw/zinc/72/49/16/563724916.db2.gz HBFQOPMHGPDRMY-HNNXBMFYSA-N 1 0 389.309 2.744 20 0 GFADRO C[C@@H]1CC[C@](CO)([N@H+](C)C[C@@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000439444591 563725361 /nfs/dbraw/zinc/72/53/61/563725361.db2.gz OPNWKLSTGVEDRH-VMGRFDJRSA-N 1 0 390.293 2.811 20 0 GFADRO C[C@H]([NH2+]C[C@H](O)COc1cc(F)cc(Br)c1)[C@@H]1CCCOC1 ZINC000439453554 563725750 /nfs/dbraw/zinc/72/57/50/563725750.db2.gz KZWFUHDOSOZNJE-ZOWXZIJZSA-N 1 0 376.266 2.733 20 0 GFADRO C[C@H](C[NH2+]Cc1ccc(S(N)(=O)=O)c(Cl)c1)N(C)Cc1ccccc1 ZINC000414349709 563728610 /nfs/dbraw/zinc/72/86/10/563728610.db2.gz PUKZOUNTASPZLM-CQSZACIVSA-N 1 0 381.929 2.598 20 0 GFADRO CN1CC[C@@H]([NH2+]Cc2ccc(S(N)(=O)=O)c(Cl)c2)[C@@H]1c1ccccc1 ZINC000414361838 563729327 /nfs/dbraw/zinc/72/93/27/563729327.db2.gz DBXYXEZFRDUYKM-AEFFLSMTSA-N 1 0 379.913 2.522 20 0 GFADRO C[N@H+](CCCNC(=O)c1nc2ccc(Br)cn2n1)C1CCCCC1 ZINC000414415564 563735044 /nfs/dbraw/zinc/73/50/44/563735044.db2.gz UVJBIWPIGMBDER-UHFFFAOYSA-N 1 0 394.317 2.876 20 0 GFADRO C[C@H](C[NH+]1CCCCC1)NS(=O)(=O)c1cc(Br)ccc1F ZINC000440067057 563735297 /nfs/dbraw/zinc/73/52/97/563735297.db2.gz DUDDQDIFZGLTSG-LLVKDONJSA-N 1 0 379.295 2.741 20 0 GFADRO CSc1cc2c(cc1C[NH+]1CCC3(CC1)SCC(=O)N3C)OCCO2 ZINC000363871119 563735474 /nfs/dbraw/zinc/73/54/74/563735474.db2.gz ZFQULNZPNWSMMS-UHFFFAOYSA-N 1 0 380.535 2.677 20 0 GFADRO C[N@H+](CCO)Cc1cc(NCc2cnc(C3OCCO3)s2)ccc1Cl ZINC000291245822 563736328 /nfs/dbraw/zinc/73/63/28/563736328.db2.gz VMNSIDWGWHQRBS-UHFFFAOYSA-N 1 0 383.901 2.878 20 0 GFADRO Cc1nn(C)c(CNc2cnn(CC[NH+]3CCCCC3)c2)c1Br ZINC000363916114 563737080 /nfs/dbraw/zinc/73/70/80/563737080.db2.gz BKAZJPDWIZOBIZ-UHFFFAOYSA-N 1 0 381.322 2.786 20 0 GFADRO C[NH+](C)CCN(C1CC1)S(=O)(=O)c1ccc(Cl)cc1Br ZINC000414457193 563739857 /nfs/dbraw/zinc/73/98/57/563739857.db2.gz FUKVRJUAPSZZRB-UHFFFAOYSA-N 1 0 381.723 2.817 20 0 GFADRO COc1nc(N[C@@H]2CC[N@H+](C[C@@H]3CCCO3)C[C@H]2C)ncc1Br ZINC000364042287 563740450 /nfs/dbraw/zinc/74/04/50/563740450.db2.gz PAQNLSIBIVEYJZ-MBNYWOFBSA-N 1 0 385.306 2.549 20 0 GFADRO C[NH2+]CC1CCN(S(=O)(=O)c2cc(Br)sc2Cl)CC1 ZINC000440407348 563741809 /nfs/dbraw/zinc/74/18/09/563741809.db2.gz HLKVICCYENXBEG-UHFFFAOYSA-N 1 0 387.752 2.784 20 0 GFADRO CC(C)(O)C[N@@H+]1CCCN(C(=O)C[C@H](O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000364076401 563742112 /nfs/dbraw/zinc/74/21/12/563742112.db2.gz UJPGZHJWNYELRY-INIZCTEOSA-N 1 0 389.323 2.722 20 0 GFADRO C[C@@H](C[NH3+])N(C)S(=O)(=O)c1csc(-c2cccc(Br)c2)n1 ZINC000440433056 563742343 /nfs/dbraw/zinc/74/23/43/563742343.db2.gz MACIESJBOZHTFU-VIFPVBQESA-N 1 0 390.328 2.540 20 0 GFADRO CCS(=O)(=O)NCC[NH+]1CCC(C)(c2ccc(Br)cc2)CC1 ZINC000440486692 563743358 /nfs/dbraw/zinc/74/33/58/563743358.db2.gz AKVYKMNPXDYAHC-UHFFFAOYSA-N 1 0 389.359 2.742 20 0 GFADRO CCc1ncc(C[NH2+]C[C@@H](CO)Cc2cc(Br)ccc2F)cn1 ZINC000414475468 563743541 /nfs/dbraw/zinc/74/35/41/563743541.db2.gz XOXHBDKJFFYDRN-LBPRGKRZSA-N 1 0 382.277 2.881 20 0 GFADRO O=C(NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc(Br)s1 ZINC000440510085 563743652 /nfs/dbraw/zinc/74/36/52/563743652.db2.gz WPAFBEMUJYPFJC-KRWDZBQOSA-N 1 0 395.322 2.877 20 0 GFADRO C[C@]1(C[NH2+][C@H](C(N)=O)c2ccc(Br)cc2F)CCO[C@H]1C1CC1 ZINC000364136994 563744425 /nfs/dbraw/zinc/74/44/25/563744425.db2.gz DNVCKUYEAQFRJE-YQQAZPJKSA-N 1 0 385.277 2.909 20 0 GFADRO O=C(CC1([NH+]2CCOCC2)CCCC1)N1CCSC[C@@H]1c1nccs1 ZINC000364208272 563745774 /nfs/dbraw/zinc/74/57/74/563745774.db2.gz TUZPELUFPRTMBO-OAHLLOKOSA-N 1 0 381.567 2.795 20 0 GFADRO CC(C)[NH+](CCCNC(=O)C(=O)Nc1ncc(C(F)(F)F)s1)C(C)C ZINC000291541260 563746577 /nfs/dbraw/zinc/74/65/77/563746577.db2.gz SJNDDQAJGFHIPK-UHFFFAOYSA-N 1 0 380.436 2.726 20 0 GFADRO CC(C)(Cc1ccc(Br)cc1)NC(=O)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O ZINC000364240301 563746821 /nfs/dbraw/zinc/74/68/21/563746821.db2.gz XLMZUIOHXRRKPQ-GOOCMWNKSA-N 1 0 393.325 2.701 20 0 GFADRO Brc1ccc2ncc(CN3CCOC4(CCOCC4)CC3)n2c1 ZINC000364233935 563747095 /nfs/dbraw/zinc/74/70/95/563747095.db2.gz CDJGBBXRXYFQMY-UHFFFAOYSA-N 1 0 380.286 2.868 20 0 GFADRO O=S(=O)(c1cc(Cl)ccc1OCC1CCC1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000440740036 563748713 /nfs/dbraw/zinc/74/87/13/563748713.db2.gz CUPRRKFLRIVGMT-SFHVURJKSA-N 1 0 384.929 2.893 20 0 GFADRO CNC(=O)CC[C@@H]1CCCC[N@@H+]1Cc1cn2ccc(Br)cc2n1 ZINC000291599753 563749365 /nfs/dbraw/zinc/74/93/65/563749365.db2.gz QKMJEWJGLNSUDN-HNNXBMFYSA-N 1 0 379.302 2.978 20 0 GFADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1Cc1cn2ccc(Br)cc2n1 ZINC000291609522 563750069 /nfs/dbraw/zinc/75/00/69/563750069.db2.gz QYIIJBGIOHMJND-CQSZACIVSA-N 1 0 393.329 2.782 20 0 GFADRO C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)Nc1cccc(I)c1 ZINC000414688639 563750123 /nfs/dbraw/zinc/75/01/23/563750123.db2.gz DKKLSOLJDFOJAI-SKDRFNHKSA-N 1 0 389.237 2.526 20 0 GFADRO O=C(Nc1ccc(Br)cc1Cl)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000414720254 563750939 /nfs/dbraw/zinc/75/09/39/563750939.db2.gz XYCRBYYBWARODU-GFCCVEGCSA-N 1 0 387.709 2.614 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCN(S(=O)(=O)c2cc(Cl)c(Br)cc2F)C1 ZINC000440829633 563750975 /nfs/dbraw/zinc/75/09/75/563750975.db2.gz FGDPRGDFRCFHIN-YUMQZZPRSA-N 1 0 385.686 2.599 20 0 GFADRO O=S(=O)(c1ccc(C(F)(F)F)c(F)c1)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000440834799 563751004 /nfs/dbraw/zinc/75/10/04/563751004.db2.gz PLLCMSUESNBWKZ-HNNXBMFYSA-N 1 0 380.407 2.997 20 0 GFADRO [NH3+][C@@H](CNC(=O)Nc1ccc(I)cc1Cl)C1CC1 ZINC000414800660 563753757 /nfs/dbraw/zinc/75/37/57/563753757.db2.gz SNRVGQYVGZQVDQ-JTQLQIEISA-N 1 0 379.629 2.803 20 0 GFADRO Cc1ncc(CN2CC[C@H]([NH2+][C@H](C)C(=O)Nc3nccs3)[C@@H](C)C2)s1 ZINC000364468894 563754317 /nfs/dbraw/zinc/75/43/17/563754317.db2.gz UOUGWIAOFIYCDS-ZOWXZIJZSA-N 1 0 379.555 2.735 20 0 GFADRO COC[C@]1(CN[C@@H](C)CC(=O)Nc2cccc(Br)c2)CCC[NH2+]1 ZINC000414939014 563754381 /nfs/dbraw/zinc/75/43/81/563754381.db2.gz FXOOJTILWLMGOU-SUMWQHHRSA-N 1 0 384.318 2.524 20 0 GFADRO CCOC1CC(O)(C[NH2+]Cc2c(Br)cncc2Br)C1 ZINC000291691919 563754382 /nfs/dbraw/zinc/75/43/82/563754382.db2.gz YEPYPMYSPZQNRY-UHFFFAOYSA-N 1 0 394.107 2.626 20 0 GFADRO [NH3+]CCN(CCO)Cc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1 ZINC000414918399 563754420 /nfs/dbraw/zinc/75/44/20/563754420.db2.gz YOMXXLNITDXPLV-UHFFFAOYSA-N 1 0 382.291 2.999 20 0 GFADRO CCCC[N@H+](C)C[C@@H](C)NC(=O)N[C@H]1C[C@H](C)S(=O)(=O)c2sccc21 ZINC000291710819 563754901 /nfs/dbraw/zinc/75/49/01/563754901.db2.gz ONEDRHJXQBZWAR-IPYPFGDCSA-N 1 0 387.571 2.775 20 0 GFADRO C[N@@H+]1CCN(CCNC(=O)NCCc2cc(Cl)cc(Cl)c2)CC1(C)C ZINC000441049742 563754949 /nfs/dbraw/zinc/75/49/49/563754949.db2.gz LXMRUKAGNPVIGY-UHFFFAOYSA-N 1 0 387.355 2.861 20 0 GFADRO Cn1ncc(Br)c1CN[C@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000414959735 563755032 /nfs/dbraw/zinc/75/50/32/563755032.db2.gz QFEOMJZASPDGSK-ABAIWWIYSA-N 1 0 385.256 2.696 20 0 GFADRO CC(C)CNC(=O)c1ccc(NC(=O)N[C@H](CC[NH3+])C(F)F)cc1Cl ZINC000414946571 563755230 /nfs/dbraw/zinc/75/52/30/563755230.db2.gz SSDUQLAWFFZRHB-CYBMUJFWSA-N 1 0 376.835 2.830 20 0 GFADRO COc1cc(Br)c(NC(=O)NCC[C@@H]2CCC[NH2+]C2)cc1OC ZINC000414986421 563756283 /nfs/dbraw/zinc/75/62/83/563756283.db2.gz CILCORBQFRJJDW-NSHDSACASA-N 1 0 386.290 2.978 20 0 GFADRO COc1cc(Br)cc(C)c1NC(=O)N1CC[C@@H](OC)C[C@H]1C[NH3+] ZINC000414997758 563757200 /nfs/dbraw/zinc/75/72/00/563757200.db2.gz ZPKDJXJLZZLUST-QWHCGFSZSA-N 1 0 386.290 2.736 20 0 GFADRO COc1ccc(I)c(NC(=O)N[C@H]2CC[C@H](C[NH3+])C2)c1 ZINC000415072163 563757887 /nfs/dbraw/zinc/75/78/87/563757887.db2.gz LPGVBAHISLWWAC-UWVGGRQHSA-N 1 0 389.237 2.549 20 0 GFADRO O=C(Nc1ccc(CCn2cc(Br)cn2)cc1)[C@H]1C[C@]12CC[NH2+]C2 ZINC000364592370 563758406 /nfs/dbraw/zinc/75/84/06/563758406.db2.gz TZUDFIOEELSXSM-AEFFLSMTSA-N 1 0 389.297 2.826 20 0 GFADRO CC(C)n1ncc2c1C[C@H]([NH2+][C@H](C(N)=O)c1cccc(Br)c1)CC2 ZINC000364583652 563758569 /nfs/dbraw/zinc/75/85/69/563758569.db2.gz UJPKZSIOYFKQDI-WBVHZDCISA-N 1 0 391.313 2.900 20 0 GFADRO Cc1ccc(NC(=O)CN2CC[C@]3(C2)CCCN(C)C3=O)c(Br)c1 ZINC000364600241 563758593 /nfs/dbraw/zinc/75/85/93/563758593.db2.gz BFLBOHYYGBNJSS-SFHVURJKSA-N 1 0 394.313 2.640 20 0 GFADRO C[C@H](COc1ccc2cc(Br)ccc2c1)[NH2+]C[C@@H]1CNCCO1 ZINC000415096455 563758929 /nfs/dbraw/zinc/75/89/29/563758929.db2.gz PZRJZINILSZJGP-ACJLOTCBSA-N 1 0 379.298 2.948 20 0 GFADRO O=S(=O)(NCCC[NH2+]Cc1cc(C(F)(F)F)n[nH]1)c1ccccc1Cl ZINC000441381586 563759238 /nfs/dbraw/zinc/75/92/38/563759238.db2.gz QOJIXCBUJGTYRU-UHFFFAOYSA-N 1 0 396.822 2.540 20 0 GFADRO CN(C(=O)c1cc(S(C)(=O)=O)c(Cl)cc1Cl)[C@H]1CCC[NH2+]CC1 ZINC000364647156 563760010 /nfs/dbraw/zinc/76/00/10/563760010.db2.gz OYGDTTCYZXXUCE-JTQLQIEISA-N 1 0 379.309 2.611 20 0 GFADRO [NH3+]Cc1cn([C@H]2CCCN(Cc3cc(Cl)ccc3Br)C2)nn1 ZINC000415128487 563760583 /nfs/dbraw/zinc/76/05/83/563760583.db2.gz OBPGKRRBEZKYSN-AWEZNQCLSA-N 1 0 384.709 2.990 20 0 GFADRO COc1ccc(Br)c(C(=O)N2CCC[N@@H+](C3CCOCC3)CC2)c1 ZINC000364653900 563760905 /nfs/dbraw/zinc/76/09/05/563760905.db2.gz VUSMVDHYCNCOEH-UHFFFAOYSA-N 1 0 397.313 2.785 20 0 GFADRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)Nc1cc(Br)ccc1-n1cccn1 ZINC000415172789 563761695 /nfs/dbraw/zinc/76/16/95/563761695.db2.gz ZUEPYOONCIKCAQ-BXUZGUMPSA-N 1 0 378.274 2.754 20 0 GFADRO CN1CC[NH2+]C[C@H]1CNC(=O)Nc1cccc(Cl)c1SCC(F)F ZINC000415197455 563762413 /nfs/dbraw/zinc/76/24/13/563762413.db2.gz UUSFIYQVGZGJNE-JTQLQIEISA-N 1 0 378.876 2.722 20 0 GFADRO COCC[NH2+]CCNC(=O)Nc1cc(Br)cc(C(F)(F)F)c1 ZINC000415209312 563762558 /nfs/dbraw/zinc/76/25/58/563762558.db2.gz HZKKBTDTXCLBDM-UHFFFAOYSA-N 1 0 384.196 2.825 20 0 GFADRO CC1(NC(=O)Nc2cc(F)c(F)cc2I)CC[NH2+]CC1 ZINC000415235977 563763216 /nfs/dbraw/zinc/76/32/16/563763216.db2.gz DVORZAQZLVDSNL-UHFFFAOYSA-N 1 0 395.191 2.833 20 0 GFADRO Cc1ccc(NC(=O)C(=O)N2CCCC23CC[NH+](C)CC3)cc1Br ZINC000364769436 563763300 /nfs/dbraw/zinc/76/33/00/563763300.db2.gz KCNFVXQXVKBNGB-UHFFFAOYSA-N 1 0 394.313 2.783 20 0 GFADRO C[C@]1(C[NH3+])CCN(C(=O)Nc2cc(F)c(F)cc2I)C1 ZINC000415243975 563763629 /nfs/dbraw/zinc/76/36/29/563763629.db2.gz WTTNOOJLIPQQET-CYBMUJFWSA-N 1 0 395.191 2.772 20 0 GFADRO C[N@@H+]1CCN(CCNC(=O)Nc2ccc(Br)c(F)c2)CC1(C)C ZINC000441666895 563763685 /nfs/dbraw/zinc/76/36/85/563763685.db2.gz HDWYELVWZIBOLV-UHFFFAOYSA-N 1 0 387.297 2.736 20 0 GFADRO O=C(Nc1ccc(F)cc1I)N[C@@H]1C[NH2+]CCC1(F)F ZINC000415253612 563764275 /nfs/dbraw/zinc/76/42/75/563764275.db2.gz QJHLPLFDHLVJDR-SNVBAGLBSA-N 1 0 399.154 2.549 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N(C)CC[N@H+](C)C2CC2)c(Br)c1 ZINC000441938881 563765807 /nfs/dbraw/zinc/76/58/07/563765807.db2.gz XYNIJHBCTAMSSK-UHFFFAOYSA-N 1 0 382.302 2.557 20 0 GFADRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)Nc1cccc(Oc2ncc(Br)cn2)c1 ZINC000415296886 563766118 /nfs/dbraw/zinc/76/61/18/563766118.db2.gz CXLKZFHBXOPWOM-HZMBPMFUSA-N 1 0 392.257 2.985 20 0 GFADRO CC[C@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1ccc(C(=O)OC)c(Cl)c1 ZINC000441968348 563766551 /nfs/dbraw/zinc/76/65/51/563766551.db2.gz KIPKRSDHCLDSMQ-ZDUSSCGKSA-N 1 0 388.917 2.669 20 0 GFADRO C[NH2+]CCCNC(=O)Nc1cccc(Oc2ncc(Br)cn2)c1 ZINC000415307845 563766649 /nfs/dbraw/zinc/76/66/49/563766649.db2.gz WIYSEXMUHBBFCW-UHFFFAOYSA-N 1 0 380.246 2.762 20 0 GFADRO O=C(C1CC[NH2+]CC1)N1CCC[C@H]1c1ccccc1I ZINC000364886962 563767297 /nfs/dbraw/zinc/76/72/97/563767297.db2.gz WYCOOHDSYUUQBG-HNNXBMFYSA-N 1 0 384.261 2.954 20 0 GFADRO CC(=O)Nc1nc(CN[C@H]2CC[N@@H+](Cc3cnc(C)s3)C[C@@H]2C)cs1 ZINC000364900816 563767552 /nfs/dbraw/zinc/76/75/52/563767552.db2.gz ZOWVFKVIKNJVTM-ZBEGNZNMSA-N 1 0 379.555 2.867 20 0 GFADRO CCOC(=O)c1c(NC(=O)NCC2=CC[NH2+]CC2)sc2c1CCSC2 ZINC000415342800 563768088 /nfs/dbraw/zinc/76/80/88/563768088.db2.gz RMJYOGZDGVWRFJ-UHFFFAOYSA-N 1 0 381.523 2.755 20 0 GFADRO C[C@@H](NC(=O)C(=O)Nc1ccc(C(F)(F)F)cc1Cl)[C@H]1CCC[NH2+]C1 ZINC000415351549 563769377 /nfs/dbraw/zinc/76/93/77/563769377.db2.gz JODIHFRKLTUJFO-ZJUUUORDSA-N 1 0 377.794 2.802 20 0 GFADRO Cc1nc2cc(Cl)c(NC(=O)C(=O)N[C@@H](C)[C@@H]3CCC[NH2+]C3)cc2s1 ZINC000415363785 563770617 /nfs/dbraw/zinc/77/06/17/563770617.db2.gz XFCLUEVDSFEKAL-GXSJLCMTSA-N 1 0 380.901 2.701 20 0 GFADRO O=C(Nc1cccc(F)c1I)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000415364236 563770655 /nfs/dbraw/zinc/77/06/55/563770655.db2.gz RSPQIEWJXKLDLU-KOLCDFICSA-N 1 0 389.212 2.646 20 0 GFADRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)Nc1cccc(F)c1I ZINC000415364256 563770825 /nfs/dbraw/zinc/77/08/25/563770825.db2.gz RTDLXAYJGDBXAG-KWQFWETISA-N 1 0 377.201 2.550 20 0 GFADRO Cc1ccc(Br)nc1C(=O)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000364999194 563771069 /nfs/dbraw/zinc/77/10/69/563771069.db2.gz VHSFKPOQJLYBOA-UHFFFAOYSA-N 1 0 396.329 2.727 20 0 GFADRO COC(=O)c1cc(Br)cc(C(=O)N(C)[C@H]2CC[N@H+](C)C[C@@H]2C)c1 ZINC000292071087 563772652 /nfs/dbraw/zinc/77/26/52/563772652.db2.gz IJRDPOWRGRXFNB-NHYWBVRUSA-N 1 0 383.286 2.648 20 0 GFADRO COC(=O)c1cc(NC(=O)N2CC[C@@H](C)C[C@@H]2C[NH3+])ccc1Br ZINC000415402186 563773008 /nfs/dbraw/zinc/77/30/08/563773008.db2.gz ILQGNJFSUGSDNJ-ZYHUDNBSSA-N 1 0 384.274 2.827 20 0 GFADRO C[NH2+]CC1CCN(C(=O)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000415404763 563773086 /nfs/dbraw/zinc/77/30/86/563773086.db2.gz UPCJPCHFSKKPAG-UHFFFAOYSA-N 1 0 377.794 2.755 20 0 GFADRO CSc1cccc(NC(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)c1C ZINC000415415354 563773572 /nfs/dbraw/zinc/77/35/72/563773572.db2.gz QJVNYOQMDPSQKR-CQSZACIVSA-N 1 0 376.448 2.675 20 0 GFADRO COc1cc(NC(=O)N[C@H](CC[NH3+])C(F)F)cc(OC)c1Br ZINC000415413336 563773698 /nfs/dbraw/zinc/77/36/98/563773698.db2.gz NWBXUGBFKXAWQM-MRVPVSSYSA-N 1 0 382.205 2.570 20 0 GFADRO Cc1c(Br)cccc1NC(=O)C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000415421272 563774418 /nfs/dbraw/zinc/77/44/18/563774418.db2.gz BWOXUFCEYXVITH-HNNXBMFYSA-N 1 0 382.302 2.720 20 0 GFADRO [NH3+]CC[C@H]1CCCN(C(=O)c2ccn(-c3cccc(Br)c3)n2)C1 ZINC000442601349 563775387 /nfs/dbraw/zinc/77/53/87/563775387.db2.gz GKIMHBKAECHLCV-CYBMUJFWSA-N 1 0 377.286 2.836 20 0 GFADRO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1Br ZINC000415434808 563775524 /nfs/dbraw/zinc/77/55/24/563775524.db2.gz ICZCCAKHIFZFIZ-JTQLQIEISA-N 1 0 396.207 2.506 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)Nc2ccc(Cl)c(Br)c2)C1 ZINC000415436965 563775663 /nfs/dbraw/zinc/77/56/63/563775663.db2.gz KIAHLBWBBWQCDC-UWVGGRQHSA-N 1 0 388.693 2.627 20 0 GFADRO CN1CC[NH+](CC2(C)CCN(C(=O)c3ccoc3Br)CC2)CC1 ZINC000365204296 563777029 /nfs/dbraw/zinc/77/70/29/563777029.db2.gz ZOOVADZSIXLBQP-UHFFFAOYSA-N 1 0 384.318 2.532 20 0 GFADRO CCOCCOc1ccc(Br)cc1NC(=O)NC[C@@H]([NH3+])C1CC1 ZINC000415466012 563777678 /nfs/dbraw/zinc/77/76/78/563777678.db2.gz STCQAIWDUROLND-CYBMUJFWSA-N 1 0 386.290 2.723 20 0 GFADRO CC(C)(CCC[NH3+])NC(=O)Nc1cc(Br)cnc1-n1cccn1 ZINC000415486403 563778974 /nfs/dbraw/zinc/77/89/74/563778974.db2.gz QCMYOOARTPVIAM-UHFFFAOYSA-N 1 0 381.278 2.669 20 0 GFADRO C[N@@H+]1CC[C@@H](CNC(=O)Nc2nnc(C(F)(F)F)s2)[C@@H]1c1cccs1 ZINC000365278368 563779291 /nfs/dbraw/zinc/77/92/91/563779291.db2.gz KTHSVTPOODLVAA-WCBMZHEXSA-N 1 0 391.444 3.433 20 0 GFADRO C[N@@H+]1CC[C@@]2(CCN(C(=O)c3cnn(-c4cccc(Br)c4)c3)C2)C1 ZINC000292234231 563779386 /nfs/dbraw/zinc/77/93/86/563779386.db2.gz NSISEGAELSHPAA-GOSISDBHSA-N 1 0 389.297 2.803 20 0 GFADRO CSc1cccc(C)c1NC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000415498562 563779395 /nfs/dbraw/zinc/77/93/95/563779395.db2.gz JVDKSBVRLBWSOX-CYBMUJFWSA-N 1 0 376.448 2.675 20 0 GFADRO CCCC[C@@H](C[NH3+])NC(=O)C(=O)Nc1cc(F)c(Br)c(Cl)c1 ZINC000415501502 563779758 /nfs/dbraw/zinc/77/97/58/563779758.db2.gz RKTQGMYIIFDLKW-QMMMGPOBSA-N 1 0 394.672 2.814 20 0 GFADRO C[C@H]1C[C@H](NC(=O)NCCC[NH+]2CCCCC2)c2ccsc2S1(=O)=O ZINC000292254107 563780089 /nfs/dbraw/zinc/78/00/89/563780089.db2.gz FVRMJJXGWPXJSF-ZFWWWQNUSA-N 1 0 385.555 2.530 20 0 GFADRO Cc1ccc(F)c(NC(=O)C(=O)N(C)CC[C@H]([NH3+])C(C)C)c1Br ZINC000415506455 563780209 /nfs/dbraw/zinc/78/02/09/563780209.db2.gz RPPPUCBBTWRWID-LBPRGKRZSA-N 1 0 388.281 2.667 20 0 GFADRO CCCC[C@H](C[NH3+])NC(=O)C(=O)Nc1cccc(Cl)c1Br ZINC000415508382 563780270 /nfs/dbraw/zinc/78/02/70/563780270.db2.gz XVMNNUUMDPFSAT-SECBINFHSA-N 1 0 376.682 2.675 20 0 GFADRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)Nc1ccnn1Cc1ccccc1Br ZINC000415518952 563780859 /nfs/dbraw/zinc/78/08/59/563780859.db2.gz DJTVGHMLHRYUIT-WFASDCNBSA-N 1 0 392.301 2.813 20 0 GFADRO C[C@@]1(C[NH3+])CCN(C(=O)Nc2ccnn2Cc2cccc(Br)c2)C1 ZINC000415521692 563781238 /nfs/dbraw/zinc/78/12/38/563781238.db2.gz LGBWJWPOBJFIIE-KRWDZBQOSA-N 1 0 392.301 2.897 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000415523187 563781656 /nfs/dbraw/zinc/78/16/56/563781656.db2.gz QYWNDJKCNQJWGW-OAHLLOKOSA-N 1 0 394.313 2.687 20 0 GFADRO CC1(NC(=O)Nc2ccnn2Cc2ccccc2Br)CC[NH2+]CC1 ZINC000415525688 563782165 /nfs/dbraw/zinc/78/21/65/563782165.db2.gz WQDWMDRUQKKWIO-UHFFFAOYSA-N 1 0 392.301 2.958 20 0 GFADRO Cc1nc2c(s1)[C@H]([NH2+]CCNS(=O)(=O)c1ccc(F)cc1F)CCC2 ZINC000442872681 563782343 /nfs/dbraw/zinc/78/23/43/563782343.db2.gz IQFTZSJNRUXABX-CYBMUJFWSA-N 1 0 387.477 2.675 20 0 GFADRO CCC[NH2+]CCNC(=O)Nc1ccnn1Cc1cccc(Br)c1 ZINC000415528387 563782583 /nfs/dbraw/zinc/78/25/83/563782583.db2.gz PKCNTDXFQQKEDJ-UHFFFAOYSA-N 1 0 380.290 2.815 20 0 GFADRO C[C@H]1CN(C(=O)Nc2ccnn2Cc2cccc(Br)c2)[C@@H](C)C[NH2+]1 ZINC000415527786 563782726 /nfs/dbraw/zinc/78/27/26/563782726.db2.gz OAOADFAXOIJOAS-STQMWFEESA-N 1 0 392.301 2.908 20 0 GFADRO Cc1ccc(-n2cnnc2SCC(=O)NC[C@H](C)C[NH+](C)C)cc1Cl ZINC000292332874 563782895 /nfs/dbraw/zinc/78/28/95/563782895.db2.gz JXFPKBFHPQBBPU-LBPRGKRZSA-N 1 0 381.933 2.635 20 0 GFADRO COc1cc(OC)c(NC(=O)NC[C@@]2(C)CCC[NH2+]C2)cc1Br ZINC000415529683 563783142 /nfs/dbraw/zinc/78/31/42/563783142.db2.gz PZWSGCQIHWTPMT-INIZCTEOSA-N 1 0 386.290 2.978 20 0 GFADRO COc1cc(Br)ccc1CCC[N@@H+]1CC[C@H](CS(C)(=O)=O)C1 ZINC000292346216 563783604 /nfs/dbraw/zinc/78/36/04/563783604.db2.gz VFCBRXXBAVZRBM-ZDUSSCGKSA-N 1 0 390.343 2.757 20 0 GFADRO CC(C)c1cc(Br)ccc1NC(=O)C(=O)N1C[C@H](C[NH3+])C[C@H]1C ZINC000415538751 563784016 /nfs/dbraw/zinc/78/40/16/563784016.db2.gz IUZDNKBIOSWAHM-NEPJUHHUSA-N 1 0 382.302 2.707 20 0 GFADRO O=C(Nc1ccnn1Cc1ccc(Br)cc1)N[C@@H]1CCC[NH2+]C1 ZINC000415537311 563784019 /nfs/dbraw/zinc/78/40/19/563784019.db2.gz ZVQMVNRDCFICEY-CQSZACIVSA-N 1 0 378.274 2.567 20 0 GFADRO COC(=O)c1c(C)c(NC(=O)N(C)[C@H](C[NH3+])C2CC2)ccc1Br ZINC000415591172 563785759 /nfs/dbraw/zinc/78/57/59/563785759.db2.gz ADHPLRBDLOLVSW-CYBMUJFWSA-N 1 0 384.274 2.745 20 0 GFADRO O=C(Nc1ccc(Cl)cc1C(F)(F)F)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000415595142 563786196 /nfs/dbraw/zinc/78/61/96/563786196.db2.gz QSGAHODKHDNXDO-HNNXBMFYSA-N 1 0 375.778 2.509 20 0 GFADRO C[NH2+][C@H]1CCCN(C(=O)Nc2ccc(OC)cc2I)C1 ZINC000415598943 563786208 /nfs/dbraw/zinc/78/62/08/563786208.db2.gz PYCWIKCINOXTAI-JTQLQIEISA-N 1 0 389.237 2.516 20 0 GFADRO Cc1nn(C)c(CN2CCC(C(=O)N3CCCCC3)CC2)c1Br ZINC000365559584 563786839 /nfs/dbraw/zinc/78/68/39/563786839.db2.gz VNPFZHIIMGDMCQ-UHFFFAOYSA-N 1 0 383.334 2.716 20 0 GFADRO COC(=O)c1c(Br)ccc(NC(=O)N2CC[C@@]3(CC[NH2+]C3)C2)c1C ZINC000415601987 563786803 /nfs/dbraw/zinc/78/68/03/563786803.db2.gz QLNVFSCTHBNCDO-QGZVFWFLSA-N 1 0 396.285 2.761 20 0 GFADRO COC(=O)c1cccc(NC(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c1Br ZINC000415604455 563787594 /nfs/dbraw/zinc/78/75/94/563787594.db2.gz FTOQASFXYVGACM-DRZSPHRISA-N 1 0 396.285 2.827 20 0 GFADRO O=C(NCC[C@H]1CCC[NH2+]1)C(=O)Nc1cccc(Cl)c1SCC(F)F ZINC000415617683 563788234 /nfs/dbraw/zinc/78/82/34/563788234.db2.gz CDKMANYCIFYSDZ-SNVBAGLBSA-N 1 0 391.871 2.894 20 0 GFADRO C[C@H]1C[C@@H](C(=O)N2CCC(Cn3cc(Br)cn3)CC2)CC[N@@H+]1C ZINC000365593733 563788232 /nfs/dbraw/zinc/78/82/32/563788232.db2.gz DIBUCRNAKGDBKC-ZFWWWQNUSA-N 1 0 383.334 2.615 20 0 GFADRO CN1CC[NH+](C[C@@H]2CCCN(C(=O)[C@H]3SCCc4sccc43)C2)CC1 ZINC000365592054 563788432 /nfs/dbraw/zinc/78/84/32/563788432.db2.gz HJANETBCPSTLST-YJBOKZPZSA-N 1 0 379.595 2.565 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)Nc2ccc(OC(F)(F)F)c(Br)c2)CCO1 ZINC000415629807 563788960 /nfs/dbraw/zinc/78/89/60/563788960.db2.gz JDFBPXKDPVDJRW-VIFPVBQESA-N 1 0 398.179 2.539 20 0 GFADRO COC(=O)c1cc(F)c(Br)cc1NC(=O)N[C@H](C[NH3+])C(C)(C)C ZINC000415632983 563789328 /nfs/dbraw/zinc/78/93/28/563789328.db2.gz YTEMFBGHOFHBKL-GFCCVEGCSA-N 1 0 390.253 2.870 20 0 GFADRO CC(C)[C@](C)(C[NH3+])NC(=O)Nc1ccnn1-c1ccc(Br)cn1 ZINC000415643769 563789943 /nfs/dbraw/zinc/78/99/43/563789943.db2.gz YDJAQZPQIBOOLH-HNNXBMFYSA-N 1 0 381.278 2.525 20 0 GFADRO CC(C)([NH3+])CNC(=O)Nc1cc(Br)cc(C(=O)N2CCCC2)c1 ZINC000415644380 563790166 /nfs/dbraw/zinc/79/01/66/563790166.db2.gz ZBEMVKMKHZLYQO-UHFFFAOYSA-N 1 0 383.290 2.544 20 0 GFADRO CC1(C)CCC[NH2+][C@@H]1CNC(=O)C(=O)Nc1cc(Cl)c(F)c(Cl)c1 ZINC000415670426 563790568 /nfs/dbraw/zinc/79/05/68/563790568.db2.gz DNENOUTUSFMLHV-GFCCVEGCSA-N 1 0 376.259 2.965 20 0 GFADRO CC(C)[NH+]1CCC(NC(=O)N[C@H]2C[C@H](C)S(=O)(=O)c3sccc32)CC1 ZINC000292574541 563790829 /nfs/dbraw/zinc/79/08/29/563790829.db2.gz UZHLZACFDCDLCR-WFASDCNBSA-N 1 0 385.555 2.527 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ccc(Br)c3ccccc23)CC[NH2+]1 ZINC000415685665 563791174 /nfs/dbraw/zinc/79/11/74/563791174.db2.gz URCUEMQEOKKQFD-NEPJUHHUSA-N 1 0 390.281 2.798 20 0 GFADRO Cc1cc(NC(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)c(Cl)cc1F ZINC000415692225 563791222 /nfs/dbraw/zinc/79/12/22/563791222.db2.gz LWUQYNLLKBKJNU-ZDUSSCGKSA-N 1 0 382.789 2.745 20 0 GFADRO COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000415677988 563791346 /nfs/dbraw/zinc/79/13/46/563791346.db2.gz PRMYLJUJMJRFJO-AWEZNQCLSA-N 1 0 388.295 2.835 20 0 GFADRO [NH3+]CC[C@H]1CCCN(C(=O)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)C1 ZINC000415677709 563791350 /nfs/dbraw/zinc/79/13/50/563791350.db2.gz NBXGUWSNHNSNHA-SNVBAGLBSA-N 1 0 377.794 2.885 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N2CCC[C@@H](CC[NH3+])C2)cc1Br ZINC000415691026 563791405 /nfs/dbraw/zinc/79/14/05/563791405.db2.gz PGFZTWSPNZLRMI-ZDUSSCGKSA-N 1 0 382.302 2.592 20 0 GFADRO Cc1cc(Br)cc(Cl)c1NC(=O)C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000415690851 563791408 /nfs/dbraw/zinc/79/14/08/563791408.db2.gz MQQHVPPJPPNPAA-OAHLLOKOSA-N 1 0 388.693 2.547 20 0 GFADRO [NH3+]CC[C@H]1CCCN(C(=O)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)C1 ZINC000415682566 563791415 /nfs/dbraw/zinc/79/14/15/563791415.db2.gz VJSVGGBWSDUMTL-SNVBAGLBSA-N 1 0 377.794 2.885 20 0 GFADRO C[C@]1(C[NH3+])CCN(C(=O)C(=O)Nc2ccc(Br)c3ccccc23)C1 ZINC000415698119 563791940 /nfs/dbraw/zinc/79/19/40/563791940.db2.gz XSBVHTQMGOGHRT-GOSISDBHSA-N 1 0 390.281 2.738 20 0 GFADRO COC(=O)c1cc(NC(=O)N[C@H]2C[NH2+]CC[C@@H]2C)c(C)cc1Br ZINC000415715352 563793390 /nfs/dbraw/zinc/79/33/90/563793390.db2.gz YXHNPALPAAOSEQ-XPTSAGLGSA-N 1 0 384.274 2.664 20 0 GFADRO C[C@@H](CCCC[NH3+])NC(=O)C(=O)Nc1cc(F)ccc1SCC(F)F ZINC000415741786 563793620 /nfs/dbraw/zinc/79/36/20/563793620.db2.gz LNBUVVGYKQXKBY-JTQLQIEISA-N 1 0 377.432 2.755 20 0 GFADRO CC(C)(C)[C@@H](C[NH3+])NC(=O)Nc1ccn(-c2ccc(Br)cc2)n1 ZINC000415751728 563794594 /nfs/dbraw/zinc/79/45/94/563794594.db2.gz BCOLPCXJFQNCOK-CYBMUJFWSA-N 1 0 380.290 3.130 20 0 GFADRO O=C(Nc1cc(Cl)c(F)c(Cl)c1)C(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000415766258 563794911 /nfs/dbraw/zinc/79/49/11/563794911.db2.gz RYQWSSDBOMRRCG-LLVKDONJSA-N 1 0 388.270 2.919 20 0 GFADRO CCSc1cccc(Br)c1NC(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000415758635 563794929 /nfs/dbraw/zinc/79/49/29/563794929.db2.gz HTIHHOHFMGSLPE-NSHDSACASA-N 1 0 387.347 2.586 20 0 GFADRO CCC(CC)(C[NH3+])NC(=O)Nc1ccc(I)cc1OC ZINC000415767013 563795609 /nfs/dbraw/zinc/79/56/09/563795609.db2.gz ADTSAKNHHRVVBU-UHFFFAOYSA-N 1 0 391.253 2.939 20 0 GFADRO COc1cc(I)ccc1NC(=O)N[C@](C)(C[NH3+])C1CC1 ZINC000415767580 563795703 /nfs/dbraw/zinc/79/57/03/563795703.db2.gz ASUUCVLTEFVDQL-CQSZACIVSA-N 1 0 389.237 2.549 20 0 GFADRO COc1cc(I)ccc1NC(=O)NC1CCC([NH3+])CC1 ZINC000415767568 563795753 /nfs/dbraw/zinc/79/57/53/563795753.db2.gz ASDCYNRYCQTRHF-UHFFFAOYSA-N 1 0 389.237 2.691 20 0 GFADRO C[C@H]([NH3+])[C@H](C)NC(=O)C(=O)Nc1cc(Cl)ccc1SCC(F)(F)F ZINC000415778310 563796216 /nfs/dbraw/zinc/79/62/16/563796216.db2.gz FRTOUWJBYZVPHY-YUMQZZPRSA-N 1 0 383.823 2.785 20 0 GFADRO COc1cc(I)ccc1NC(=O)N(C)C1CC[NH2+]CC1 ZINC000415775622 563796358 /nfs/dbraw/zinc/79/63/58/563796358.db2.gz VFDMIPASHHUUQM-UHFFFAOYSA-N 1 0 389.237 2.516 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H](CNC(=O)C(=O)Nc2ccc(Cl)cc2OC(F)F)C1 ZINC000415808525 563797728 /nfs/dbraw/zinc/79/77/28/563797728.db2.gz MFYNXNZAOKFROT-MWLCHTKSSA-N 1 0 375.803 2.514 20 0 GFADRO [NH3+]C[C@H](NC(=O)C(=O)Nc1ccc(Br)c(Cl)c1)C1CCCC1 ZINC000415825129 563798480 /nfs/dbraw/zinc/79/84/80/563798480.db2.gz YJDILQMKHLOREB-ZDUSSCGKSA-N 1 0 388.693 2.675 20 0 GFADRO [NH3+]C[C@H](NC(=O)C(=O)Nc1ccc(Cl)c(Br)c1)C1CCCC1 ZINC000415843957 563798859 /nfs/dbraw/zinc/79/88/59/563798859.db2.gz QKCGBHKJZBKZFA-ZDUSSCGKSA-N 1 0 388.693 2.675 20 0 GFADRO C[C@H]1CCN(C(=O)C(=O)Nc2cc(Cl)cc(C(F)(F)F)c2)C[C@H]1C[NH3+] ZINC000415836172 563799021 /nfs/dbraw/zinc/79/90/21/563799021.db2.gz BWKCXHABZHKNSW-VHSXEESVSA-N 1 0 377.794 2.741 20 0 GFADRO C[C@@H]1CCN(C(=O)C(=O)Nc2cc(Cl)cc(C(F)(F)F)c2)C[C@@H]1C[NH3+] ZINC000415836174 563799026 /nfs/dbraw/zinc/79/90/26/563799026.db2.gz BWKCXHABZHKNSW-ZJUUUORDSA-N 1 0 377.794 2.741 20 0 GFADRO C[C@@H]1CN(C(=O)C(=O)Nc2cc(Cl)ccc2C(F)(F)F)C[C@@]1(C)C[NH3+] ZINC000415843877 563799131 /nfs/dbraw/zinc/79/91/31/563799131.db2.gz SPPAWAGDNCZOOQ-RFAUZJTJSA-N 1 0 377.794 2.741 20 0 GFADRO O=C(Nc1ccc(Br)c2ccccc12)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000415860495 563799441 /nfs/dbraw/zinc/79/94/41/563799441.db2.gz CHYCJFOUSJZTKB-LBPRGKRZSA-N 1 0 390.281 2.799 20 0 GFADRO CSc1ccc(NC(=O)C(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1Cl ZINC000415855663 563799698 /nfs/dbraw/zinc/79/96/98/563799698.db2.gz OZYOOHCAZOTIJT-QWHCGFSZSA-N 1 0 381.929 2.849 20 0 GFADRO [NH3+]Cc1ccc(NC(=O)NC[C@H](CO)Cc2ccccc2Br)cc1 ZINC000415945477 563801121 /nfs/dbraw/zinc/80/11/21/563801121.db2.gz DCYMLYCHJZYAER-CQSZACIVSA-N 1 0 392.297 2.881 20 0 GFADRO CC(C)(NC(=O)N[C@@H](CC[NH3+])C(F)(F)F)c1nc(C(F)(F)F)cs1 ZINC000416006000 563801593 /nfs/dbraw/zinc/80/15/93/563801593.db2.gz KPGARFLUKXGGRD-LURJTMIESA-N 1 0 378.342 2.976 20 0 GFADRO [NH3+]CC[C@H](NC(=O)N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1)C(F)(F)F ZINC000416006118 563801631 /nfs/dbraw/zinc/80/16/31/563801631.db2.gz KRSROLXFEOCRBV-ZANVPECISA-N 1 0 382.789 2.637 20 0 GFADRO [NH3+]CC[C@H](NC(=O)NCCCC(=O)Nc1ccc(Cl)cc1)C(F)(F)F ZINC000415998051 563801892 /nfs/dbraw/zinc/80/18/92/563801892.db2.gz SPLNUNOKSNCOMG-LBPRGKRZSA-N 1 0 380.798 2.638 20 0 GFADRO CC[NH+](CC)C[C@H]1CCCC[C@@H]1NS(=O)(=O)c1ccsc1C(=O)OC ZINC000443373185 563803044 /nfs/dbraw/zinc/80/30/44/563803044.db2.gz NPFSYYFAKVRZQX-KGLIPLIRSA-N 1 0 388.555 2.714 20 0 GFADRO COc1cc(Br)ccc1C(=O)N1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000366437687 563808336 /nfs/dbraw/zinc/80/83/36/563808336.db2.gz LVPYVBOQBOGEBF-YSVLISHTSA-N 1 0 397.313 2.781 20 0 GFADRO C[C@H]1C[NH+](CCCCNC(=O)Cc2cccc(Br)c2)C[C@H](C)O1 ZINC000443668257 563809550 /nfs/dbraw/zinc/80/95/50/563809550.db2.gz SSVIVDICKTYMAV-GJZGRUSLSA-N 1 0 383.330 2.997 20 0 GFADRO O=C(Cc1cc(Br)ccc1F)N1CC[C@H](OCC[NH+]2CCCC2)C1 ZINC000443813154 563813152 /nfs/dbraw/zinc/81/31/52/563813152.db2.gz RDQPORPLBGSMMV-INIZCTEOSA-N 1 0 399.304 2.844 20 0 GFADRO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)CCCc1ccc(Br)s1 ZINC000416287145 563813199 /nfs/dbraw/zinc/81/31/99/563813199.db2.gz BTPXLDPQOKLDFV-CHWSQXEVSA-N 1 0 389.359 2.747 20 0 GFADRO Cc1ccc(CCC(=O)N2C[C@@H](C)[N@@H+](CCO)C[C@@H]2C)c(Br)c1 ZINC000416302666 563813956 /nfs/dbraw/zinc/81/39/56/563813956.db2.gz GIILVLVPNIPGLL-CABCVRRESA-N 1 0 383.330 2.604 20 0 GFADRO CCOc1cc(Br)c(CC(=O)NCC2([NH+](C)C)CC2)cc1OCC ZINC000416292069 563814282 /nfs/dbraw/zinc/81/42/82/563814282.db2.gz QJHMFKJCFDVECF-UHFFFAOYSA-N 1 0 399.329 2.999 20 0 GFADRO COC(=O)c1cc(Br)cc(C(=O)N2CCC[C@H]([NH+](C)C)CC2)c1 ZINC000293499909 563815851 /nfs/dbraw/zinc/81/58/51/563815851.db2.gz YXFNRCLOSMOOGU-HNNXBMFYSA-N 1 0 383.286 2.792 20 0 GFADRO COC(=O)c1c(Cl)cccc1S(=O)(=O)NC[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000416369118 563818327 /nfs/dbraw/zinc/81/83/27/563818327.db2.gz HVWUAEBUXHLMPQ-QWHCGFSZSA-N 1 0 388.917 2.525 20 0 GFADRO C[NH+]1CCC(NC(=O)N2CC[C@@H](Nc3cccc(Br)c3)C2)CC1 ZINC000366769068 563819282 /nfs/dbraw/zinc/81/92/82/563819282.db2.gz ZPZTYMGERPZVAF-MRXNPFEDSA-N 1 0 381.318 2.739 20 0 GFADRO CCC[NH+]1CCC(CNS(=O)(=O)c2cc(Cl)c(OC)cc2OC)CC1 ZINC000416379756 563820576 /nfs/dbraw/zinc/82/05/76/563820576.db2.gz ABGZMIDIAATROJ-UHFFFAOYSA-N 1 0 390.933 2.758 20 0 GFADRO CC[N@@H+]1CC[C@H]2OCCN(Cc3cc(Br)c(OC)s3)[C@H]2C1 ZINC000293695284 563821688 /nfs/dbraw/zinc/82/16/88/563821688.db2.gz QZVHZDXJMMFOKA-UONOGXRCSA-N 1 0 375.332 2.814 20 0 GFADRO CCOC(=O)C[C@@H](NC(=O)c1coc(C[NH3+])c1)c1ccc(Br)cc1 ZINC000444130262 563822808 /nfs/dbraw/zinc/82/28/08/563822808.db2.gz PZMCVFVXLCJWMY-OAHLLOKOSA-N 1 0 395.253 2.925 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2cc(Cl)c(OC)cc2OC)[C@@H](C)C1 ZINC000416409936 563824540 /nfs/dbraw/zinc/82/45/40/563824540.db2.gz WHGIHSKVAKUXIB-GXTWGEPZSA-N 1 0 390.933 2.708 20 0 GFADRO Cc1cc(C(=O)NCC[C@H]2CCC[NH2+]2)nn1-c1ccc(Br)cc1 ZINC000444266324 563826279 /nfs/dbraw/zinc/82/62/79/563826279.db2.gz NQJJOTWASOIMSI-CQSZACIVSA-N 1 0 377.286 2.815 20 0 GFADRO CC(C)N1CC[NH+](C2CCN(Cc3ccnc(Br)c3)CC2)CC1 ZINC000293879119 563826953 /nfs/dbraw/zinc/82/69/53/563826953.db2.gz TXYHZJLFQGRGFQ-UHFFFAOYSA-N 1 0 381.362 2.835 20 0 GFADRO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)N1CCC=C(Br)C1 ZINC000367011532 563827459 /nfs/dbraw/zinc/82/74/59/563827459.db2.gz SHPYFZCSVCFOQJ-YOEHRIQHSA-N 1 0 393.329 2.986 20 0 GFADRO C[C@@H]1CN(C(=O)CSc2ccccc2Cl)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000367046768 563829280 /nfs/dbraw/zinc/82/92/80/563829280.db2.gz YVJFYRSEZJMYQE-WBVHZDCISA-N 1 0 381.973 2.917 20 0 GFADRO Cc1[nH]c(=O)c(Br)cc1C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000367159667 563833939 /nfs/dbraw/zinc/83/39/39/563833939.db2.gz XUCNOIFFKXOBQK-UHFFFAOYSA-N 1 0 382.302 2.806 20 0 GFADRO O=C(NC1CC[NH+](C2CC2)CC1)c1ccc(I)cc1F ZINC000294245772 563835783 /nfs/dbraw/zinc/83/57/83/563835783.db2.gz BYKUQGQTQNYXJL-UHFFFAOYSA-N 1 0 388.224 2.787 20 0 GFADRO CC[NH+]1CCC(NC(=O)CN(C)Cc2ccc(Br)cc2C)CC1 ZINC000444695774 563835997 /nfs/dbraw/zinc/83/59/97/563835997.db2.gz FYKFUHSHFBJMFW-UHFFFAOYSA-N 1 0 382.346 2.790 20 0 GFADRO COC(=O)c1ccc(C[NH+]2CCC(n3cc(Br)cn3)CC2)nc1 ZINC000367216954 563836412 /nfs/dbraw/zinc/83/64/12/563836412.db2.gz HYBIQQFTLZRQMP-UHFFFAOYSA-N 1 0 379.258 2.664 20 0 GFADRO CC[NH+]1CCC(N(C(=O)c2cc(Br)c(=O)[nH]c2C)C2CC2)CC1 ZINC000367226256 563836897 /nfs/dbraw/zinc/83/68/97/563836897.db2.gz WLPXOXPVPXCXEX-UHFFFAOYSA-N 1 0 382.302 2.947 20 0 GFADRO C[N@H+](CCCCNS(=O)(=O)c1ccc(F)cc1Br)C1CC1 ZINC000416503199 563840036 /nfs/dbraw/zinc/84/00/36/563840036.db2.gz UPJSQFIDZKGIBE-UHFFFAOYSA-N 1 0 379.295 2.741 20 0 GFADRO COc1ccc(Br)cc1S(=O)(=O)NCCCC[N@H+](C)C1CC1 ZINC000416503008 563840207 /nfs/dbraw/zinc/84/02/07/563840207.db2.gz TWRMZWFMZNWGGO-UHFFFAOYSA-N 1 0 391.331 2.610 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)Nc2cc(Br)cnc2-n2cccn2)CC[N@@H+]1C ZINC000444927830 563840322 /nfs/dbraw/zinc/84/03/22/563840322.db2.gz DQUZPCYNBCHJQE-YPMHNXCESA-N 1 0 393.289 2.634 20 0 GFADRO C[N@H+](CCCCNS(=O)(=O)c1cccc(Br)c1F)C1CC1 ZINC000416507910 563840704 /nfs/dbraw/zinc/84/07/04/563840704.db2.gz POBOYVJWWQQUFO-UHFFFAOYSA-N 1 0 379.295 2.741 20 0 GFADRO Cc1c(Br)cccc1S(=O)(=O)NCCCC[N@@H+](C)C1CC1 ZINC000416509399 563840830 /nfs/dbraw/zinc/84/08/30/563840830.db2.gz ULZGIRFYILTLEA-UHFFFAOYSA-N 1 0 375.332 2.910 20 0 GFADRO O=C1C[C@@H]([C@@H]2CCCC[N@H+]2Cc2cccc(I)c2)CN1 ZINC000367434985 563844448 /nfs/dbraw/zinc/84/44/48/563844448.db2.gz ANLPOXBQUUFTHB-HIFRSBDPSA-N 1 0 384.261 2.782 20 0 GFADRO COCC[N@@H+]1CCCN(C(=O)CCc2cccc(F)c2Br)CC1 ZINC000294518006 563845137 /nfs/dbraw/zinc/84/51/37/563845137.db2.gz LJNRNCGKSGRSLI-UHFFFAOYSA-N 1 0 387.293 2.702 20 0 GFADRO CC(C)C[NH+]1CCN(C(=O)[C@H]2CC(=O)Nc3ccc(Br)cc32)CC1 ZINC000445245042 563845774 /nfs/dbraw/zinc/84/57/74/563845774.db2.gz AGSBVRXGAOMRBA-HNNXBMFYSA-N 1 0 394.313 2.675 20 0 GFADRO O=C(NCCC[NH+]1CCCC1)c1ccnc(Cl)c1I ZINC000294551089 563846445 /nfs/dbraw/zinc/84/64/45/563846445.db2.gz VWFVSRDXMLOTRC-UHFFFAOYSA-N 1 0 393.656 2.555 20 0 GFADRO CC(C)[NH+]1CCC(NC(=O)[C@H]2CC(=O)Nc3ccc(Br)cc32)CC1 ZINC000445247603 563846423 /nfs/dbraw/zinc/84/64/23/563846423.db2.gz HPGVNTKGVGWVMZ-HNNXBMFYSA-N 1 0 394.313 2.864 20 0 GFADRO COCc1ccccc1CS(=O)(=O)N(CC[NH+](C)C)Cc1ccsc1 ZINC000416549667 563846826 /nfs/dbraw/zinc/84/68/26/563846826.db2.gz CVUBJMGTJWAXGY-UHFFFAOYSA-N 1 0 382.551 2.788 20 0 GFADRO C[C@@H]1CCC[N@@H+]1C1CCN(C(=O)NCCCn2cc(Br)cn2)CC1 ZINC000367580909 563849358 /nfs/dbraw/zinc/84/93/58/563849358.db2.gz QNDNTLYWGJCOFD-CQSZACIVSA-N 1 0 398.349 2.694 20 0 GFADRO O=C(N[C@@H]1CCc2[nH]cnc2C1)N1CCc2cc(Br)cc(F)c21 ZINC000367745080 563853602 /nfs/dbraw/zinc/85/36/02/563853602.db2.gz CGVDCYWGPPSFAV-LLVKDONJSA-N 1 0 379.233 2.941 20 0 GFADRO C[C@H]1CCC[N@@H+]1C1CCN(S(=O)(=O)c2cccnc2C(F)(F)F)CC1 ZINC000367777889 563855082 /nfs/dbraw/zinc/85/50/82/563855082.db2.gz TUBNSMTYJDDTQC-LBPRGKRZSA-N 1 0 377.432 2.738 20 0 GFADRO C[C@@H](CO)[N@@H+]1CCCN(c2ccc(-c3ccc(Br)s3)nn2)CC1 ZINC000367827436 563856747 /nfs/dbraw/zinc/85/67/47/563856747.db2.gz VWOSQCVBFWXGND-LBPRGKRZSA-N 1 0 397.342 2.861 20 0 GFADRO C[NH+](C)CCN(C(=O)Cc1cc[nH]c(=O)c1Br)C1CCCCC1 ZINC000446033849 563857440 /nfs/dbraw/zinc/85/74/40/563857440.db2.gz RYXVMZPJZOEBRY-UHFFFAOYSA-N 1 0 384.318 2.815 20 0 GFADRO OCc1cn(CCC[NH2+][C@H]2CCCCc3cc(Br)ccc32)nn1 ZINC000368083047 563863192 /nfs/dbraw/zinc/86/31/92/563863192.db2.gz IIAYOIGTZRZWQT-KRWDZBQOSA-N 1 0 379.302 2.980 20 0 GFADRO O=C(c1ccc(Cl)c(I)c1)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000368114976 563864636 /nfs/dbraw/zinc/86/46/36/563864636.db2.gz LFCYHLVQKTZEJW-GHMZBOCLSA-N 1 0 390.652 2.626 20 0 GFADRO CCOCCOc1ccc(Br)cc1C[N@@H+]1CC[C@@H](CC(N)=O)C1 ZINC000368131851 563864670 /nfs/dbraw/zinc/86/46/70/563864670.db2.gz CCGQHZCDSQZMNU-ZDUSSCGKSA-N 1 0 385.302 2.562 20 0 GFADRO O=C(NCC[N@@H+]1CCCOCC1)N[C@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000446499069 563865171 /nfs/dbraw/zinc/86/51/71/563865171.db2.gz OCTCFBLJCJEZSE-CQSZACIVSA-N 1 0 379.810 2.965 20 0 GFADRO Cc1cc(Br)c(F)cc1NC(=O)N1C[C@H](C)[N@@H+](CCO)C[C@H]1C ZINC000416992535 563865240 /nfs/dbraw/zinc/86/52/40/563865240.db2.gz HRUKLSMNCZADOX-NWDGAFQWSA-N 1 0 388.281 2.815 20 0 GFADRO Cc1cc(NC(=O)N2C[C@H](C)[N@@H+](CCO)C[C@@H]2C)cc(C)c1Br ZINC000417054924 563866507 /nfs/dbraw/zinc/86/65/07/563866507.db2.gz HMLPUHLLJBWETB-KBPBESRZSA-N 1 0 384.318 2.985 20 0 GFADRO O=C(NCCC[NH2+]Cc1cccnc1)NCc1cc(Br)cs1 ZINC000417102288 563868045 /nfs/dbraw/zinc/86/80/45/563868045.db2.gz ZJRVDPORRWHAED-UHFFFAOYSA-N 1 0 383.315 2.885 20 0 GFADRO O=C(NCc1cc(Br)ccc1Br)NC[C@H]1CCC[NH2+]1 ZINC000418050376 563896874 /nfs/dbraw/zinc/89/68/74/563896874.db2.gz VXSJQBSDHVVXKV-LLVKDONJSA-N 1 0 391.107 2.763 20 0 GFADRO O=C(NCC1(c2cccc(Br)c2)CCC1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000417214838 563873672 /nfs/dbraw/zinc/87/36/72/563873672.db2.gz LSSQZJJBFJVSDZ-CJNGLKHVSA-N 1 0 378.314 2.874 20 0 GFADRO O=C(NCC1(c2ccc(Br)cc2)CCC1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000417214107 563873719 /nfs/dbraw/zinc/87/37/19/563873719.db2.gz KCVCBTPAFOCOKC-CJNGLKHVSA-N 1 0 378.314 2.874 20 0 GFADRO O=C1[C@@H]([NH2+]Cc2cccc3nccn32)CCN1c1cccc(Br)c1 ZINC000447071477 563874210 /nfs/dbraw/zinc/87/42/10/563874210.db2.gz ZBEDMVIFVFQCHK-INIZCTEOSA-N 1 0 385.265 2.992 20 0 GFADRO COC[C@@]1(CNC(=O)N[C@@H](C)CCc2ccc(Br)cc2)CCC[NH2+]1 ZINC000417226057 563874213 /nfs/dbraw/zinc/87/42/13/563874213.db2.gz KEHVZEVUNFDHLU-KSSFIOAISA-N 1 0 398.345 2.838 20 0 GFADRO C[C@H]1CN(C2CC2)C[C@H]1[NH2+]Cc1ccc(S(C)(=O)=O)c(C(F)(F)F)c1 ZINC000447094421 563874597 /nfs/dbraw/zinc/87/45/97/563874597.db2.gz RSLMKGZLSDBHMR-XHDPSFHLSA-N 1 0 376.444 2.681 20 0 GFADRO Brc1cnn(CCC[NH2+]C2CCN(Cc3ccncc3)CC2)c1 ZINC000368575452 563874986 /nfs/dbraw/zinc/87/49/86/563874986.db2.gz NTDDXBOSGNHASP-UHFFFAOYSA-N 1 0 378.318 2.685 20 0 GFADRO O=C(CCC[S@@](=O)c1ccc(Br)cc1)N[C@H]1CCC[NH2+]CC1 ZINC000368721741 563877626 /nfs/dbraw/zinc/87/76/26/563877626.db2.gz KEQIRMWIEXEBOD-RCDICMHDSA-N 1 0 387.343 2.595 20 0 GFADRO [NH3+][C@@H]1CCC[C@H]2CN(S(=O)(=O)c3ccc(Br)c(Cl)c3)C[C@H]21 ZINC000447243101 563877877 /nfs/dbraw/zinc/87/78/77/563877877.db2.gz ANZVOHQVVDNKQH-DRCTWCGVSA-N 1 0 393.734 2.850 20 0 GFADRO Cc1cc(S(=O)(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c(C)cc1Br ZINC000447252278 563877974 /nfs/dbraw/zinc/87/79/74/563877974.db2.gz QXHQRASNHQOYFT-GZBFAFLISA-N 1 0 387.343 2.814 20 0 GFADRO [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NS(=O)(=O)c1ccc(Br)c(F)c1 ZINC000447253448 563878469 /nfs/dbraw/zinc/87/84/69/563878469.db2.gz YRHLSHIUCVXGKX-SWKMLJDHSA-N 1 0 391.306 2.773 20 0 GFADRO CO[C@H](C[NH2+][C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1)CC(C)C ZINC000417364332 563878641 /nfs/dbraw/zinc/87/86/41/563878641.db2.gz LVIZHAZMAUDQMM-AAEUAGOBSA-N 1 0 393.347 2.808 20 0 GFADRO C[C@H]1[NH2+]CCN(C(=O)NCc2cc(Br)ccc2OC(F)F)[C@@H]1C ZINC000417398012 563879073 /nfs/dbraw/zinc/87/90/73/563879073.db2.gz ALQKLBCJAPQTPN-NXEZZACHSA-N 1 0 392.244 2.942 20 0 GFADRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NCc1cc(Br)ccc1OC(F)F ZINC000417402791 563879343 /nfs/dbraw/zinc/87/93/43/563879343.db2.gz FKCJQULLNZYSNW-BXKDBHETSA-N 1 0 392.244 2.848 20 0 GFADRO COC[C@H](C)OC[C@H](O)C[N@@H+]1CCCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000447297986 563879803 /nfs/dbraw/zinc/87/98/03/563879803.db2.gz ZZSYVOFVIKXHIQ-GOEBONIOSA-N 1 0 391.339 2.918 20 0 GFADRO COc1cc(Br)c(CNC(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)cc1OC ZINC000417449597 563880491 /nfs/dbraw/zinc/88/04/91/563880491.db2.gz YGKKGDANVBTOJD-VXGBXAGGSA-N 1 0 386.290 2.535 20 0 GFADRO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)N[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000417476644 563880514 /nfs/dbraw/zinc/88/05/14/563880514.db2.gz DPTDLQQNRMWPGS-YSVLISHTSA-N 1 0 395.345 2.845 20 0 GFADRO O=C(N[C@@H]1CCN(c2ccc(Br)cc2)C1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000417478465 563880935 /nfs/dbraw/zinc/88/09/35/563880935.db2.gz IIUQZCSSJBFMLF-OWCLPIDISA-N 1 0 393.329 2.564 20 0 GFADRO C[C@@H](CNC(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1)c1c(Cl)cccc1Cl ZINC000417483069 563881051 /nfs/dbraw/zinc/88/10/51/563881051.db2.gz JMCVRBDFXSBKDZ-UONOGXRCSA-N 1 0 385.339 2.786 20 0 GFADRO CC1(CNC(=O)N[C@H]2CCN(c3ccc(Br)cc3)C2)CC[NH2+]CC1 ZINC000417480910 563881184 /nfs/dbraw/zinc/88/11/84/563881184.db2.gz NERCDGPSKYHQPV-HNNXBMFYSA-N 1 0 395.345 2.717 20 0 GFADRO C[C@H](CO)[N@@H+]1CCCN(C(=O)[C@H](C)Sc2nc3ccccc3s2)CC1 ZINC000368976660 563883561 /nfs/dbraw/zinc/88/35/61/563883561.db2.gz XYVGNASQVYAZKV-KGLIPLIRSA-N 1 0 379.551 2.692 20 0 GFADRO Clc1ccc(Cl)c([C@H](NCc2nnc3n2CCOC3)[C@@H]2CCOC2)c1 ZINC000368989715 563883603 /nfs/dbraw/zinc/88/36/03/563883603.db2.gz KCQHTORCDVPXGB-PIGZYNQJSA-N 1 0 383.279 2.983 20 0 GFADRO CN1CC[NH+](C[C@@H]2CCCN(C(=O)c3cc(F)ccc3Br)C2)CC1 ZINC000368978212 563883788 /nfs/dbraw/zinc/88/37/88/563883788.db2.gz AQIWEYVGZNUXQD-AWEZNQCLSA-N 1 0 398.320 2.688 20 0 GFADRO O=C(NCC1(c2cccc(Br)c2)CC1)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000417653332 563886939 /nfs/dbraw/zinc/88/69/39/563886939.db2.gz AWBYXCPCOUUWKM-KGLIPLIRSA-N 1 0 378.314 2.732 20 0 GFADRO O=C1c2ccccc2C(=O)N1CC[NH2+]CCOc1cccc(Br)c1 ZINC000447822943 563887215 /nfs/dbraw/zinc/88/72/15/563887215.db2.gz RYWRECXWPDUZCV-UHFFFAOYSA-N 1 0 389.249 2.714 20 0 GFADRO CC(C)[NH+]1CCC(NC(=O)N2CCC(n3cc(Br)cn3)CC2)CC1 ZINC000369158061 563887864 /nfs/dbraw/zinc/88/78/64/563887864.db2.gz QZWLEPSMVXFYDZ-UHFFFAOYSA-N 1 0 398.349 2.865 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2ccc(OC(F)F)c(F)c2)C[C@@H]1C ZINC000447868783 563888983 /nfs/dbraw/zinc/88/89/83/563888983.db2.gz MWPQGQKKZBIRRN-NWDGAFQWSA-N 1 0 380.432 2.920 20 0 GFADRO COCC1(CNC(=O)N[C@H]2COc3c2ccc(Cl)c3Cl)CC[NH2+]CC1 ZINC000417776926 563889153 /nfs/dbraw/zinc/88/91/53/563889153.db2.gz RTYCXHRHOROXQB-ZDUSSCGKSA-N 1 0 388.295 2.742 20 0 GFADRO C[C@@H](CNC(=O)NCC[C@@H]1CCC[NH2+]C1)Oc1ccc(Br)cc1 ZINC000417777858 563889272 /nfs/dbraw/zinc/88/92/72/563889272.db2.gz SDDCUTBPHBVGCX-KBPBESRZSA-N 1 0 384.318 2.905 20 0 GFADRO CC1(C)CCC[N@H+](CCNS(=O)(=O)c2ccc(OC(F)F)c(F)c2)C1 ZINC000447876201 563889827 /nfs/dbraw/zinc/88/98/27/563889827.db2.gz YUFRPENHGFVHCI-UHFFFAOYSA-N 1 0 380.432 2.827 20 0 GFADRO COC[C@]1(CNC(=O)NCc2cc(Cl)ccc2OC(F)F)CCC[NH2+]1 ZINC000417793244 563889884 /nfs/dbraw/zinc/88/98/84/563889884.db2.gz ZJDUHMQIOFSYCR-MRXNPFEDSA-N 1 0 377.819 2.509 20 0 GFADRO Cn1ccnc1N1CCC(NC(=O)COc2cc(Cl)cc(Cl)c2)CC1 ZINC000369235315 563890062 /nfs/dbraw/zinc/89/00/62/563890062.db2.gz IKKMWABMPOAQJD-UHFFFAOYSA-N 1 0 383.279 2.891 20 0 GFADRO C[N@@H+]1CC[C@H]2[C@H](CCCN2S(=O)(=O)c2ccc(C(F)(F)F)c(F)c2)C1 ZINC000447881730 563890082 /nfs/dbraw/zinc/89/00/82/563890082.db2.gz ZSOUIJZWTIXDJC-ABAIWWIYSA-N 1 0 380.407 2.949 20 0 GFADRO C[NH2+]C[C@H](C)CNC(=O)N[C@H](C)c1nc(-c2ccc(Br)cc2)no1 ZINC000417892925 563890803 /nfs/dbraw/zinc/89/08/03/563890803.db2.gz MHLAZWQGRDKLNW-WDEREUQCSA-N 1 0 396.289 2.715 20 0 GFADRO [NH3+]CCN(CCc1ccccc1)C(=O)NCc1ccc(O)c(Br)c1 ZINC000417900846 563890869 /nfs/dbraw/zinc/89/08/69/563890869.db2.gz MRKKLMKEZAMRRD-UHFFFAOYSA-N 1 0 392.297 2.868 20 0 GFADRO C[C@H](NC(=O)N1CCC[C@@H]([NH3+])C1)c1nc(-c2ccc(Br)cc2)no1 ZINC000417889447 563890902 /nfs/dbraw/zinc/89/09/02/563890902.db2.gz JPFZIHAVGQDYFV-GXFFZTMASA-N 1 0 394.273 2.693 20 0 GFADRO CCc1n[nH]c(C(=O)N(C)C2CCN(c3cc[nH+]cc3)CC2)c1Br ZINC000369297655 563890917 /nfs/dbraw/zinc/89/09/17/563890917.db2.gz GQOLYVVUOGUTLK-UHFFFAOYSA-N 1 0 392.301 2.871 20 0 GFADRO O=C(NCCc1cc(Cl)ccc1Br)N[C@@H]1C[NH2+]CCC1(F)F ZINC000417919324 563891633 /nfs/dbraw/zinc/89/16/33/563891633.db2.gz ZBZWIZYLHHEATM-GFCCVEGCSA-N 1 0 396.663 2.941 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)NCC2(c3cccc(Br)c3)CCCC2)CCO1 ZINC000417917491 563891714 /nfs/dbraw/zinc/89/17/14/563891714.db2.gz WITWZOHNYVXPDV-MRXNPFEDSA-N 1 0 396.329 2.630 20 0 GFADRO C[C@H](CCC[NH3+])NC(=O)NCCCOc1ncc(C(F)(F)F)cc1Cl ZINC000417954029 563892350 /nfs/dbraw/zinc/89/23/50/563892350.db2.gz FABXTPORPPUFKP-SNVBAGLBSA-N 1 0 382.814 2.949 20 0 GFADRO COc1cc(Br)ccc1CCCNC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000417997348 563894123 /nfs/dbraw/zinc/89/41/23/563894123.db2.gz FSSCHVFVXNVKPU-MRXNPFEDSA-N 1 0 396.329 2.926 20 0 GFADRO C[C@H]1CN(C(=O)NCCc2c[nH]c3ccc(Br)cc23)[C@@H](C)C[NH2+]1 ZINC000417995220 563894233 /nfs/dbraw/zinc/89/42/33/563894233.db2.gz CUZGJOJOBCOUID-RYUDHWBXSA-N 1 0 379.302 2.865 20 0 GFADRO C[C@H]1CN(C(=O)NCCc2c[nH]c3ccc(Br)cc23)CC[C@@H]1[NH3+] ZINC000418000681 563894536 /nfs/dbraw/zinc/89/45/36/563894536.db2.gz JSFMWDMSCHKPDA-NHYWBVRUSA-N 1 0 379.302 2.852 20 0 GFADRO COc1cc(Br)ccc1CCCNC(=O)N1CC[NH2+][C@H](C)[C@@H]1C ZINC000418007857 563895018 /nfs/dbraw/zinc/89/50/18/563895018.db2.gz ROHUMXMKNVHDDB-OLZOCXBDSA-N 1 0 384.318 2.782 20 0 GFADRO C[C@@H](CCCC[NH3+])NC(=O)N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000418009121 563895111 /nfs/dbraw/zinc/89/51/11/563895111.db2.gz RTMAYFWLIALPBN-NHYWBVRUSA-N 1 0 387.311 2.915 20 0 GFADRO C[C@H]1CCN(C(=O)NCc2cc(Br)cc3c2OCC3)[C@H](C[NH3+])C1 ZINC000418011328 563895247 /nfs/dbraw/zinc/89/52/47/563895247.db2.gz KQCOWNQPQYXFKH-NHYWBVRUSA-N 1 0 382.302 2.653 20 0 GFADRO CC(C)[C@H]([NH3+])CCN(C)C(=O)NCc1cc(Br)cc2c1OCC2 ZINC000418019521 563895379 /nfs/dbraw/zinc/89/53/79/563895379.db2.gz XMTCKMUOYRUTOO-OAHLLOKOSA-N 1 0 384.318 2.899 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)NCc2cc(Br)cc3c2OCC3)C1 ZINC000418014493 563895534 /nfs/dbraw/zinc/89/55/34/563895534.db2.gz OQQVUJYHNJDECP-DGCLKSJQSA-N 1 0 382.302 2.653 20 0 GFADRO COc1ccc(S(=O)(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1Cl ZINC000448316519 563895886 /nfs/dbraw/zinc/89/58/86/563895886.db2.gz WCLJLRIDKYXWFZ-GUYCJALGSA-N 1 0 384.929 2.986 20 0 GFADRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)NCc1cc(Br)ccc1Br ZINC000418038899 563896431 /nfs/dbraw/zinc/89/64/31/563896431.db2.gz HHBHETGQEJVVSU-UFBFGSQYSA-N 1 0 391.107 2.843 20 0 GFADRO CCCOC[C@@H](Cc1cccc(Br)c1)NC(=O)NC(C)(C)C[NH3+] ZINC000418038614 563896489 /nfs/dbraw/zinc/89/64/89/563896489.db2.gz YUYKQEQLOVLQFY-OAHLLOKOSA-N 1 0 386.334 2.823 20 0 GFADRO CCn1c(CNC(=O)N2CC[C@@](C)(C[NH3+])C2)nc2cc(Br)ccc21 ZINC000418064161 563897322 /nfs/dbraw/zinc/89/73/22/563897322.db2.gz IZGWNAGGMTVJSH-KRWDZBQOSA-N 1 0 394.317 2.699 20 0 GFADRO CCn1c(CNC(=O)N2CCC[C@@H]2C[NH2+]C)nc2cc(Br)ccc21 ZINC000418067356 563897346 /nfs/dbraw/zinc/89/73/46/563897346.db2.gz OVYHUOCWBLBDAM-CYBMUJFWSA-N 1 0 394.317 2.712 20 0 GFADRO CCn1c(CNC(=O)N2CC[C@H]([NH3+])[C@@H](C)C2)nc2cc(Br)ccc21 ZINC000418060777 563897463 /nfs/dbraw/zinc/89/74/63/563897463.db2.gz CZSYJMICCDGHKP-AAEUAGOBSA-N 1 0 394.317 2.697 20 0 GFADRO CCn1c(CNC(=O)N(C)CC(C)(C)C[NH3+])nc2cc(Br)ccc21 ZINC000418063321 563897487 /nfs/dbraw/zinc/89/74/87/563897487.db2.gz HTZXNRFOKSUTBN-UHFFFAOYSA-N 1 0 396.333 2.945 20 0 GFADRO COCC1(CNC(=O)N[C@@H](C)c2ccc(Br)s2)CC[NH2+]CC1 ZINC000418060109 563897512 /nfs/dbraw/zinc/89/75/12/563897512.db2.gz OGDNQAMMGHNBPM-NSHDSACASA-N 1 0 390.347 2.887 20 0 GFADRO C[NH2+]C[C@@H](C)CNC(=O)N[C@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O ZINC000418076169 563897839 /nfs/dbraw/zinc/89/78/39/563897839.db2.gz GDUOXTVWQVYKFV-RISCZKNCSA-N 1 0 387.311 2.644 20 0 GFADRO C[C@H]1[NH2+]CCN(C(=O)NCc2cnn(-c3ccc(Br)cc3)c2)[C@H]1C ZINC000418086525 563898167 /nfs/dbraw/zinc/89/81/67/563898167.db2.gz CWONISYFFYYATP-OLZOCXBDSA-N 1 0 392.301 2.527 20 0 GFADRO C[NH2+]C[C@H]1CCCN1C(=O)NCc1cnn(-c2ccc(Br)cc2)c1 ZINC000418085861 563898180 /nfs/dbraw/zinc/89/81/80/563898180.db2.gz BGJGCFKGFZUION-MRXNPFEDSA-N 1 0 392.301 2.528 20 0 GFADRO O=C(N[C@@H]1CSc2ccc(Br)cc21)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000418090007 563898705 /nfs/dbraw/zinc/89/87/05/563898705.db2.gz BZVRMBBOGLEZLP-MISXGVKJSA-N 1 0 382.327 2.847 20 0 GFADRO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1Cc1ccnc2c(Br)cccc12 ZINC000418109508 563898925 /nfs/dbraw/zinc/89/89/25/563898925.db2.gz IKYYNLKFGTYDGB-UONOGXRCSA-N 1 0 378.314 2.884 20 0 GFADRO Cc1ccc(Br)cc1CC(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000448628858 563899132 /nfs/dbraw/zinc/89/91/32/563899132.db2.gz UJGWMDKNJUUHQE-HUUCEWRRSA-N 1 0 383.330 2.916 20 0 GFADRO CC[C@H]([NH3+])CNC(=O)N[C@H](C)CCc1ccc(I)cc1 ZINC000418116988 563899395 /nfs/dbraw/zinc/89/93/95/563899395.db2.gz SBJXUBFUZUBYDC-RISCZKNCSA-N 1 0 389.281 2.649 20 0 GFADRO C[C@H](CCc1ccc(I)cc1)NC(=O)N[C@@H](C)CC[NH3+] ZINC000418115583 563899434 /nfs/dbraw/zinc/89/94/34/563899434.db2.gz PKBLECXMDZQNRT-NEPJUHHUSA-N 1 0 389.281 2.649 20 0 GFADRO C[C@@H]([NH3+])c1ccc(CNC(=O)NCCCCn2cc(Br)cn2)cc1 ZINC000418111456 563899487 /nfs/dbraw/zinc/89/94/87/563899487.db2.gz XRBIENWCPWZEPG-CYBMUJFWSA-N 1 0 394.317 2.945 20 0 GFADRO C[C@H](CCc1ccc(I)cc1)NC(=O)NCCCC[NH3+] ZINC000418111912 563899599 /nfs/dbraw/zinc/89/95/99/563899599.db2.gz GCXKHWWSPGZEFG-GFCCVEGCSA-N 1 0 389.281 2.650 20 0 GFADRO CC[NH+]1CCN(CCCNC(=O)c2cc(Br)c(C)cc2C)CC1 ZINC000448695064 563900151 /nfs/dbraw/zinc/90/01/51/563900151.db2.gz SYLSWKINJXLIIX-UHFFFAOYSA-N 1 0 382.346 2.823 20 0 GFADRO CC(C)c1ccc([C@H]([NH3+])CNC(=O)NCCn2cc(Br)cn2)cc1 ZINC000418174608 563900753 /nfs/dbraw/zinc/90/07/53/563900753.db2.gz DSONBMYRCRILRU-MRXNPFEDSA-N 1 0 394.317 2.768 20 0 GFADRO COCC[N@@H+]1CC[C@H](NC(=O)COc2c(Cl)cc(Cl)cc2Cl)C1 ZINC000448934591 563903356 /nfs/dbraw/zinc/90/33/56/563903356.db2.gz WOMHBGOSZIPYBB-NSHDSACASA-N 1 0 381.687 2.863 20 0 GFADRO Cc1cc(C)c(C(=O)N(C)CCCN2CC[NH+](C)CC2)cc1Br ZINC000448955930 563903812 /nfs/dbraw/zinc/90/38/12/563903812.db2.gz YELDXMAOLVBPON-UHFFFAOYSA-N 1 0 382.346 2.775 20 0 GFADRO Cc1ccc(CC(=O)NC[C@H](C(C)C)[NH+]2CCN(C)CC2)c(Br)c1 ZINC000448968123 563904175 /nfs/dbraw/zinc/90/41/75/563904175.db2.gz FILZAFKERAPBOD-GOSISDBHSA-N 1 0 396.373 2.688 20 0 GFADRO Cc1cc(C)c(C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)cc1Br ZINC000448976686 563904404 /nfs/dbraw/zinc/90/44/04/563904404.db2.gz OKPXVBQHYXGSRF-ZDUSSCGKSA-N 1 0 382.346 2.679 20 0 GFADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)Cc2cc(Br)ccc2C)CC1 ZINC000448978598 563904581 /nfs/dbraw/zinc/90/45/81/563904581.db2.gz XZEFMKGBCMACQM-HNNXBMFYSA-N 1 0 396.373 2.690 20 0 GFADRO CCOCC[N@H+](CC)Cc1cc(Br)ccc1O[C@@H](C)C(=O)NC ZINC000449020285 563905532 /nfs/dbraw/zinc/90/55/32/563905532.db2.gz QDCGPJWFKVAXTM-ZDUSSCGKSA-N 1 0 387.318 2.821 20 0 GFADRO C[C@@H](C[NH2+]C[C@H]1CCN(CC(F)(F)F)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000449091342 563906625 /nfs/dbraw/zinc/90/66/25/563906625.db2.gz PYKGBMOXIKKLIO-UONOGXRCSA-N 1 0 378.460 2.667 20 0 GFADRO COC(=O)COC[C@H](C)[NH2+]Cc1cc(Br)ccc1OC(F)F ZINC000449133906 563906890 /nfs/dbraw/zinc/90/68/90/563906890.db2.gz FVBGWWVAGQMILI-VIFPVBQESA-N 1 0 382.201 2.718 20 0 GFADRO CS(=O)(=O)c1cccc(C[NH2+][C@@H]2CC(=O)N(c3ccccc3Cl)C2)c1 ZINC000449150007 563907479 /nfs/dbraw/zinc/90/74/79/563907479.db2.gz YLUXLBMJOGJQIV-CQSZACIVSA-N 1 0 378.881 2.639 20 0 GFADRO O=S(=O)(C1CC1)N1CCC([NH2+]Cc2cc(F)cc(Br)c2)CC1 ZINC000449181547 563907836 /nfs/dbraw/zinc/90/78/36/563907836.db2.gz ABONPHNAMHQYTA-UHFFFAOYSA-N 1 0 391.306 2.634 20 0 GFADRO CN(C)C(=O)[C@@H]1CC[C@@H](C[NH2+][C@@H]2CCc3c2ccc(F)c3Br)O1 ZINC000449202986 563908313 /nfs/dbraw/zinc/90/83/13/563908313.db2.gz JQMDJWBQGCKFQH-VQISRLSMSA-N 1 0 385.277 2.801 20 0 GFADRO C[N@@H+](Cc1cncc(Br)c1)C[C@@H]1C[C@H](F)CN1Cc1ncccn1 ZINC000470813227 564177827 /nfs/dbraw/zinc/17/78/27/564177827.db2.gz VJLVNIAFKNBYHS-HOTGVXAUSA-N 1 0 394.292 2.679 20 0 GFADRO CS(=O)(=O)N[C@H]1CCCC[C@H]1[NH2+]Cc1cccc(F)c1Br ZINC000449253776 564178149 /nfs/dbraw/zinc/17/81/49/564178149.db2.gz VUVKYCCYUVIUHV-OLZOCXBDSA-N 1 0 379.295 2.538 20 0 GFADRO COCCO[C@@H]1COCC[C@@H]1[NH2+][C@H]1CCc2c1ccc(F)c2Br ZINC000449256977 564178155 /nfs/dbraw/zinc/17/81/55/564178155.db2.gz KKTRRTUHZPKLFM-HRCADAONSA-N 1 0 388.277 2.986 20 0 GFADRO OC[C@@H]([NH2+]C1CCN(c2cnccn2)CC1)c1ccc(Br)cc1 ZINC000537944287 564178557 /nfs/dbraw/zinc/17/85/57/564178557.db2.gz VWOKQQUFCLKNNE-MRXNPFEDSA-N 1 0 377.286 2.531 20 0 GFADRO C[C@H]([NH2+]CCS(=O)(=O)NC(C)(C)C)c1ccc(Br)c(F)c1 ZINC000537938528 564178595 /nfs/dbraw/zinc/17/85/95/564178595.db2.gz DCXCURAHTSVHKI-JTQLQIEISA-N 1 0 381.311 2.957 20 0 GFADRO O=S1(=O)CCO[C@@H](C[NH2+][C@H]2CCCc3nc(-c4ccccc4)sc32)C1 ZINC000537964275 564178843 /nfs/dbraw/zinc/17/88/43/564178843.db2.gz LHELZAMASXKAQD-GJZGRUSLSA-N 1 0 378.519 2.591 20 0 GFADRO C[C@@H]([NH2+]C[C@H](O)C1CCOCC1)c1ccc(I)cc1 ZINC000537980591 564179127 /nfs/dbraw/zinc/17/91/27/564179127.db2.gz DSRCAGKZLJITDL-ABAIWWIYSA-N 1 0 375.250 2.729 20 0 GFADRO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@@H]1CC(=O)N([C@H]2C[C@@H]2C)C1 ZINC000537982141 564179151 /nfs/dbraw/zinc/17/91/51/564179151.db2.gz MPTSBCNXFQFDOE-OJDYBEQGSA-N 1 0 394.313 2.765 20 0 GFADRO CO[C@]1(C)CCC[N@H+](CC(=O)N(C)Cc2cc(Br)cs2)C1 ZINC000470913444 564179837 /nfs/dbraw/zinc/17/98/37/564179837.db2.gz PARYTMLBDUWYGN-OAHLLOKOSA-N 1 0 375.332 2.970 20 0 GFADRO C[C@H](CN1CC[C@H](C(F)(F)F)[C@@H](CO)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000449323569 564180453 /nfs/dbraw/zinc/18/04/53/564180453.db2.gz WENOFZQEHKRJSC-XPKDYRNWSA-N 1 0 379.444 2.686 20 0 GFADRO C[C@H](CN1CC[C@@H](C(F)(F)F)[C@@H](CO)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000449323568 564180784 /nfs/dbraw/zinc/18/07/84/564180784.db2.gz WENOFZQEHKRJSC-XNRPHZJLSA-N 1 0 379.444 2.686 20 0 GFADRO CCOc1cc(C[NH2+]CCn2cc(Br)ccc2=O)ccc1OC ZINC000449372967 564181726 /nfs/dbraw/zinc/18/17/26/564181726.db2.gz AXKBMJZLDAKOPO-UHFFFAOYSA-N 1 0 381.270 2.808 20 0 GFADRO COc1cc(C)c(C[NH2+]CCn2cc(Br)ccc2=O)cc1OC ZINC000449373804 564182131 /nfs/dbraw/zinc/18/21/31/564182131.db2.gz CWGDTWLDDAOCFR-UHFFFAOYSA-N 1 0 381.270 2.726 20 0 GFADRO CS(=O)(=O)N1CC[C@@H]([NH2+][C@@H](Cc2cccnc2)c2ccc(Cl)cc2)C1 ZINC000563263591 564183208 /nfs/dbraw/zinc/18/32/08/564183208.db2.gz HOULWQVPYUJZRK-MSOLQXFVSA-N 1 0 379.913 2.642 20 0 GFADRO CC[C@@H](C)[C@@H](NC(=O)C[NH2+][C@H](C)c1ccc(Br)cc1)C(=O)OC ZINC000538140801 564183179 /nfs/dbraw/zinc/18/31/79/564183179.db2.gz UWJIWAAAQVAPQH-XHBSWPGZSA-N 1 0 385.302 2.804 20 0 GFADRO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]C[C@@H]1CCCN1CCCO ZINC000449390419 564183962 /nfs/dbraw/zinc/18/39/62/564183962.db2.gz WATFZBXNBIRKTF-PBHICJAKSA-N 1 0 398.345 2.603 20 0 GFADRO Cc1ccc(O[C@@H](C)C(=O)NCCN2CCOC(C)(C)C2)c(Br)c1 ZINC000505491810 564183960 /nfs/dbraw/zinc/18/39/60/564183960.db2.gz SJAIZGOAUHOSSK-AWEZNQCLSA-N 1 0 399.329 2.752 20 0 GFADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+]Cc1ccnc(C)c1 ZINC000449404613 564184212 /nfs/dbraw/zinc/18/42/12/564184212.db2.gz VRRASDUAGSEHFS-CYBMUJFWSA-N 1 0 392.297 2.956 20 0 GFADRO COC[C@]1(C(=O)OC)CC[N@H+](CC2=Cc3cc(Br)ccc3OC2)C1 ZINC000449458098 564188110 /nfs/dbraw/zinc/18/81/10/564188110.db2.gz VLZXFXDCTHFVHH-SFHVURJKSA-N 1 0 396.281 2.736 20 0 GFADRO CC(C)(CNC(=O)[C@@H]1Cc2cc(Br)ccc2O1)C[NH+]1CCCC1 ZINC000471159588 564188182 /nfs/dbraw/zinc/18/81/82/564188182.db2.gz AFBPPCDSXYWKEI-INIZCTEOSA-N 1 0 381.314 2.991 20 0 GFADRO Cc1ncc(Br)cc1NC(=O)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000563368283 564188447 /nfs/dbraw/zinc/18/84/47/564188447.db2.gz VWEIGNZHKDUPSW-OAHLLOKOSA-N 1 0 397.317 2.871 20 0 GFADRO O[C@@H](C[NH2+][C@@H]1CCCc2c3cc(Br)ccc3[nH]c21)Cn1ccnn1 ZINC000563360870 564188556 /nfs/dbraw/zinc/18/85/56/564188556.db2.gz YIYAYXCOSGSEMP-BLLLJJGKSA-N 1 0 390.285 2.550 20 0 GFADRO C[C@H](CCCOc1ccccc1C(N)=O)[NH2+]Cc1nn(C)cc1Br ZINC000449486370 564189081 /nfs/dbraw/zinc/18/90/81/564189081.db2.gz UKVABVAMLNJGKV-GFCCVEGCSA-N 1 0 395.301 2.619 20 0 GFADRO COc1ccc([C@H](C)[NH2+][C@@H]2CCCN(S(C)(=O)=O)C2)c(Br)c1 ZINC000538393324 564190005 /nfs/dbraw/zinc/19/00/05/564190005.db2.gz WRSUNVNSYNCDLK-NWDGAFQWSA-N 1 0 391.331 2.532 20 0 GFADRO O=C(Cc1cccc(I)c1)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000471239154 564190012 /nfs/dbraw/zinc/19/00/12/564190012.db2.gz ZWLYYPSOWNVQSO-HUUCEWRRSA-N 1 0 384.261 2.577 20 0 GFADRO CCOc1cc(C[NH2+]CCCF)cc(Br)c1OCC(=O)N(C)C ZINC000538420082 564190792 /nfs/dbraw/zinc/19/07/92/564190792.db2.gz HAPVANSBJBJVHP-UHFFFAOYSA-N 1 0 391.281 2.764 20 0 GFADRO COc1ccc(C[C@H](CO)C[NH2+]Cc2cn(C(C)C)nn2)cc1Br ZINC000449597888 564190829 /nfs/dbraw/zinc/19/08/29/564190829.db2.gz GUDYVHRSVGGIDG-AWEZNQCLSA-N 1 0 397.317 2.571 20 0 GFADRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)c1cc(I)ccc1Cl ZINC000505812150 564190915 /nfs/dbraw/zinc/19/09/15/564190915.db2.gz LLANBYKEFGXGNX-DTWKUNHWSA-N 1 0 378.641 2.767 20 0 GFADRO COc1cc(C[NH2+][C@@H](C)c2cncc(Br)c2)ccc1OCC(N)=O ZINC000563442999 564191779 /nfs/dbraw/zinc/19/17/79/564191779.db2.gz PTTNIWZHYPZIBV-NSHDSACASA-N 1 0 394.269 2.568 20 0 GFADRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)Cc1cccc(I)c1 ZINC000471275172 564191831 /nfs/dbraw/zinc/19/18/31/564191831.db2.gz BZZFFFCNQVJXGA-OAHLLOKOSA-N 1 0 386.277 2.824 20 0 GFADRO C[C@@H]1CN(C2CC2)C[C@H]1[NH2+]C[C@H](CO)Cc1cc(Br)ccc1F ZINC000449602132 564192150 /nfs/dbraw/zinc/19/21/50/564192150.db2.gz SVIRJJPSDBRAFC-SNUQEOBHSA-N 1 0 385.321 2.812 20 0 GFADRO COc1cccc(C[NH2+]C[C@H](CO)Cc2cc(Br)ccc2F)n1 ZINC000449602847 564192377 /nfs/dbraw/zinc/19/23/77/564192377.db2.gz UPZSNTQUVAMXMK-GFCCVEGCSA-N 1 0 383.261 2.933 20 0 GFADRO COc1cc(Cl)c(C[N@@H+]2CCC[C@@H]2C[C@@]2(C)NC(=O)NC2=O)cc1Cl ZINC000563481656 564193157 /nfs/dbraw/zinc/19/31/57/564193157.db2.gz FWCNEYQUJTURBU-PIGZYNQJSA-N 1 0 386.279 2.955 20 0 GFADRO [NH3+]C[C@@H]1CCCN(C(=O)Nc2nnc(-c3cccc(Br)c3)s2)C1 ZINC000563483009 564193235 /nfs/dbraw/zinc/19/32/35/564193235.db2.gz RKUDHIVYOQTLGX-JTQLQIEISA-N 1 0 396.314 3.170 20 0 GFADRO C[C@@H]1OCC[C@H]1[N@H+](CCO)Cc1cc(Br)c2c(c1)OCCCO2 ZINC000449676547 564194272 /nfs/dbraw/zinc/19/42/72/564194272.db2.gz HXIFXKQJRQROKU-SWLSCSKDSA-N 1 0 386.286 2.582 20 0 GFADRO C[C@@H](NC(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2)c1ccc(Br)cn1 ZINC000563502052 564194347 /nfs/dbraw/zinc/19/43/47/564194347.db2.gz CMHMCIQXVIBKPG-MFKMUULPSA-N 1 0 390.285 2.938 20 0 GFADRO O=C(NCCCC[NH+]1CCOCC1)[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000449676380 564194506 /nfs/dbraw/zinc/19/45/06/564194506.db2.gz GSXBUZODHBQYPI-DLBZAZTESA-N 1 0 381.314 2.781 20 0 GFADRO COc1ccc(Br)cc1C[C@H](CO)C[NH2+]Cc1nc(C)ccc1O ZINC000449677432 564194850 /nfs/dbraw/zinc/19/48/50/564194850.db2.gz BCTVSDPUCIGUKD-ZDUSSCGKSA-N 1 0 395.297 2.808 20 0 GFADRO C[NH+](C)C1(CNC(=O)[C@H]2C[C@@H]2c2ccc(Br)cc2)CCOCC1 ZINC000506016690 564194914 /nfs/dbraw/zinc/19/49/14/564194914.db2.gz FNNJMFYXSGEOQH-CVEARBPZSA-N 1 0 381.314 2.780 20 0 GFADRO NC(=O)c1cccc(C[NH2+]C[C@H](CO)Cc2ccc(F)c(Br)c2)c1 ZINC000449682303 564196156 /nfs/dbraw/zinc/19/61/56/564196156.db2.gz NNPVQVCWCLHPEW-CQSZACIVSA-N 1 0 395.272 2.628 20 0 GFADRO CC[NH+](CC)CCNS(=O)(=O)c1cc(Cl)c(Br)cc1F ZINC000471511764 564196582 /nfs/dbraw/zinc/19/65/82/564196582.db2.gz SXHSMEYYFXZBTG-UHFFFAOYSA-N 1 0 387.702 2.862 20 0 GFADRO CC1(C)C[NH2+]CC[C@H]1NC(=O)[C@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1 ZINC000449700013 564196665 /nfs/dbraw/zinc/19/66/65/564196665.db2.gz RYLFJMXJDSZOPQ-XHDPSFHLSA-N 1 0 384.307 2.851 20 0 GFADRO COc1ccc(Br)cc1C[C@H](CO)C[NH2+][C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000449685879 564196880 /nfs/dbraw/zinc/19/68/80/564196880.db2.gz WJVGRFCSDGSSLH-JKIFEVAISA-N 1 0 397.357 2.824 20 0 GFADRO CCOc1c(Br)cc(C(=O)N[C@H]2CC[NH2+]CC2(C)C)cc1OC ZINC000449702703 564197835 /nfs/dbraw/zinc/19/78/35/564197835.db2.gz UZOSDILDLXXVAI-AWEZNQCLSA-N 1 0 385.302 2.974 20 0 GFADRO C[NH+]1CCN(c2cc(CNC(=O)c3ccsc3Br)ccn2)CC1 ZINC000449707422 564197867 /nfs/dbraw/zinc/19/78/67/564197867.db2.gz QURVHTQDQFVSKH-UHFFFAOYSA-N 1 0 395.326 2.587 20 0 GFADRO [NH3+]C[C@@H]1CC[C@H](NC(=O)[C@@H]2CCCN2C(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000449724658 564198769 /nfs/dbraw/zinc/19/87/69/564198769.db2.gz YRDOYNOJSYRNKW-FFSVYQOJSA-N 1 0 384.307 2.842 20 0 GFADRO COCCNS(=O)(=O)c1ccc(C[NH2+][C@@H](C)c2sccc2OC)cc1 ZINC000471602303 564199443 /nfs/dbraw/zinc/19/94/43/564199443.db2.gz BRHDVOUSJUYXEZ-ZDUSSCGKSA-N 1 0 384.523 2.532 20 0 GFADRO COc1cccc(CNc2cc(N3CCOCC3)c(Br)c[nH+]2)c1 ZINC000449769461 564201808 /nfs/dbraw/zinc/20/18/08/564201808.db2.gz UQUBWAYXCSTIER-UHFFFAOYSA-N 1 0 378.270 3.301 20 0 GFADRO CC[NH+](CC)CC[C@@H](CO)NC(=O)c1cc2ccc(Br)cc2[nH]1 ZINC000538820341 564202551 /nfs/dbraw/zinc/20/25/51/564202551.db2.gz HSTVMSACTJNZHI-AWEZNQCLSA-N 1 0 382.302 2.753 20 0 GFADRO C[N@H+](C[C@@H](O)CNc1ccc(CCn2cc(Br)cn2)cc1)C1CC1 ZINC000563707788 564203379 /nfs/dbraw/zinc/20/33/79/564203379.db2.gz NCFZOSQCHHJUIL-SFHVURJKSA-N 1 0 393.329 2.755 20 0 GFADRO O=S1(=O)CC[C@H]([NH2+][C@H](CO)CC2CCC2)c2cc(Br)ccc21 ZINC000563760637 564205961 /nfs/dbraw/zinc/20/59/61/564205961.db2.gz JZUOFIUGQFFGIV-ZFWWWQNUSA-N 1 0 388.327 2.808 20 0 GFADRO C[C@@H](CNC(=O)c1c(Cl)cc(F)cc1Br)N1CC[NH+](C)CC1 ZINC000449888246 564207532 /nfs/dbraw/zinc/20/75/32/564207532.db2.gz MTKBJEBFMAVJGM-JTQLQIEISA-N 1 0 392.700 2.607 20 0 GFADRO Cc1ccc(CC(=O)N2CC[NH+](CC3CCOCC3)CC2)c(Br)c1 ZINC000449898961 564208907 /nfs/dbraw/zinc/20/89/07/564208907.db2.gz QTKRQAHPKCUOMQ-UHFFFAOYSA-N 1 0 395.341 2.871 20 0 GFADRO CC[N@@H+]1CCCC[C@H]1CNCc1cn(-c2ccccc2Br)nn1 ZINC000563839849 564208957 /nfs/dbraw/zinc/20/89/57/564208957.db2.gz DWSVAAZBINSIIF-HNNXBMFYSA-N 1 0 378.318 2.994 20 0 GFADRO CC(=O)c1cc(Br)ccc1OCC(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000506691027 564210079 /nfs/dbraw/zinc/21/00/79/564210079.db2.gz VYQBXJRPSBWSFG-CABCVRRESA-N 1 0 395.297 2.774 20 0 GFADRO CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC000539139377 564211500 /nfs/dbraw/zinc/21/15/00/564211500.db2.gz MFFHJNCKSAPIOY-ZQIUZPCESA-N 1 0 399.329 2.610 20 0 GFADRO C[C@@H]1CN(C(=O)c2ccccc2-n2cc(Br)cn2)C[C@@H]1[NH+](C)C ZINC000449985612 564211490 /nfs/dbraw/zinc/21/14/90/564211490.db2.gz MLWWWGROUKUSCX-WBMJQRKESA-N 1 0 377.286 2.657 20 0 GFADRO C[C@@H](NC(=O)c1cccnc1-n1cc(Br)cn1)C(C)(C)C[NH+](C)C ZINC000449985320 564211653 /nfs/dbraw/zinc/21/16/53/564211653.db2.gz CBMXLBRMULPPKA-GFCCVEGCSA-N 1 0 394.317 2.736 20 0 GFADRO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]C[C@H]2CSc3ccccc3O2)c1 ZINC000563886348 564211750 /nfs/dbraw/zinc/21/17/50/564211750.db2.gz JFMVXOQBNRUUDN-HIFRSBDPSA-N 1 0 378.519 2.799 20 0 GFADRO CC[NH+]1CCC(NC(=O)CN2CCc3cc(Br)cc(C)c3C2)CC1 ZINC000539328092 564216920 /nfs/dbraw/zinc/21/69/20/564216920.db2.gz LNIPJOGACYFYMK-UHFFFAOYSA-N 1 0 394.357 2.716 20 0 GFADRO C[C@H](NC(=O)N1CC[N@@H+](C2CCC2)C[C@@H](C)C1)c1ncc(Br)cn1 ZINC000564053601 564217459 /nfs/dbraw/zinc/21/74/59/564217459.db2.gz FOPQFPAGLOMKNR-OLZOCXBDSA-N 1 0 396.333 2.816 20 0 GFADRO CC(=O)c1cc(Br)ccc1OCC(=O)NC1(C[NH+](C)C)CCC1 ZINC000564110854 564220853 /nfs/dbraw/zinc/22/08/53/564220853.db2.gz VLPAGAKERKCXDY-UHFFFAOYSA-N 1 0 383.286 2.631 20 0 GFADRO CC(C)[NH+]1CCC(O)(CNC(=O)[C@@H]2C[C@@H]2c2cccc(Br)c2)CC1 ZINC000472433057 564222790 /nfs/dbraw/zinc/22/27/90/564222790.db2.gz YTTUHZMXJKAWLC-IAGOWNOFSA-N 1 0 395.341 2.904 20 0 GFADRO Cc1ccc(CC(=O)N2CCC([N@H+](C)CCCO)CC2)c(Br)c1 ZINC000450262566 564223712 /nfs/dbraw/zinc/22/37/12/564223712.db2.gz NSKVBTHZQMAANV-UHFFFAOYSA-N 1 0 383.330 2.605 20 0 GFADRO Cn1ccnc1[C@@H](NC(=O)C(=O)Nc1ccc(F)c(Br)c1)C1CC1 ZINC000507444752 564228831 /nfs/dbraw/zinc/22/88/31/564228831.db2.gz UROYYMHTRGVQLK-ZDUSSCGKSA-N 1 0 395.232 2.528 20 0 GFADRO CC[C@H](O)C[NH+]1CCN(c2ncc(Br)cc2C(F)(F)F)CC1 ZINC000450341859 564228985 /nfs/dbraw/zinc/22/89/85/564228985.db2.gz NRYQAIYPKSKSJJ-NSHDSACASA-N 1 0 382.224 2.756 20 0 GFADRO Brc1ccn2cc(C[NH2+][C@H]3CCOC4(CCOCC4)C3)nc2c1 ZINC000564410389 564232326 /nfs/dbraw/zinc/23/23/26/564232326.db2.gz NAKUGERKPPIKGO-AWEZNQCLSA-N 1 0 380.286 2.915 20 0 GFADRO CC[C@H](CO)[NH+]1CCN(CCCC(=O)c2ccc(Br)cc2)CC1 ZINC000450440392 564232938 /nfs/dbraw/zinc/23/29/38/564232938.db2.gz QJAYMOPGHCISCQ-QGZVFWFLSA-N 1 0 383.330 2.801 20 0 GFADRO C[N@@H+]1CC[C@H]2CCN(C(=O)c3ccc(I)cc3F)[C@@H]2C1 ZINC000450489848 564234396 /nfs/dbraw/zinc/23/43/96/564234396.db2.gz RJJQRVBBCKRMQV-IINYFYTJSA-N 1 0 388.224 2.597 20 0 GFADRO COC(=O)CSCCC(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000564492253 564235329 /nfs/dbraw/zinc/23/53/29/564235329.db2.gz LGYNDGZDWFSUIH-HNNXBMFYSA-N 1 0 384.567 2.633 20 0 GFADRO C[NH+]1CCC(C)(CNC(=O)Cc2cccc(I)c2)CC1 ZINC000507661364 564237925 /nfs/dbraw/zinc/23/79/25/564237925.db2.gz RZVRPKNJMVWLAU-UHFFFAOYSA-N 1 0 386.277 2.682 20 0 GFADRO Cc1cc(NC(=O)C(=O)N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)ccc1Br ZINC000507661995 564238165 /nfs/dbraw/zinc/23/81/65/564238165.db2.gz VSJDQUUSMWTCPU-HIFRSBDPSA-N 1 0 394.313 2.781 20 0 GFADRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)C(=O)Nc1ccc(F)c(Br)c1 ZINC000507675460 564238529 /nfs/dbraw/zinc/23/85/29/564238529.db2.gz KUWSSDXVEKLCDW-WCQYABFASA-N 1 0 398.276 2.612 20 0 GFADRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)C(=O)Nc1ccc(F)cc1Br ZINC000507676738 564238698 /nfs/dbraw/zinc/23/86/98/564238698.db2.gz OMDSXDUGXUMFJY-DGCLKSJQSA-N 1 0 398.276 2.612 20 0 GFADRO CCOC(=O)CNC(=O)C1CC[NH+](Cc2cc(Br)ccc2C)CC1 ZINC000450599254 564240379 /nfs/dbraw/zinc/24/03/79/564240379.db2.gz SKMSHBQWMSZYPG-UHFFFAOYSA-N 1 0 397.313 2.649 20 0 GFADRO C[C@H]([NH2+]CCS(=O)(=O)NC[C@H]1CCCCO1)c1ccc(Cl)c(F)c1 ZINC000540183520 564240454 /nfs/dbraw/zinc/24/04/54/564240454.db2.gz ZXEHNOOOZKSKCJ-GXTWGEPZSA-N 1 0 378.897 2.618 20 0 GFADRO C[NH+](C)CCn1ccc(C(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)n1 ZINC000564583682 564240977 /nfs/dbraw/zinc/24/09/77/564240977.db2.gz FRZRZSSGINAAAC-UHFFFAOYSA-N 1 0 376.873 2.869 20 0 GFADRO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CC[C@H](C)[S@@](C)=O ZINC000540157843 564241226 /nfs/dbraw/zinc/24/12/26/564241226.db2.gz PZENJRJVALSVSL-SMDDFHAHSA-N 1 0 375.332 2.913 20 0 GFADRO CS(=O)(=O)N1CCC[C@H]([NH2+][C@H]2CCCc3ccc(Br)cc32)C1 ZINC000540175076 564241248 /nfs/dbraw/zinc/24/12/48/564241248.db2.gz PLLODVDGLUVHCK-HOCLYGCPSA-N 1 0 387.343 2.840 20 0 GFADRO COc1ccc(F)c(C[NH2+]C[C@H]2CCN(S(=O)(=O)c3cccs3)C2)c1 ZINC000564670079 564244807 /nfs/dbraw/zinc/24/48/07/564244807.db2.gz JLAPMFHANSMZET-CYBMUJFWSA-N 1 0 384.498 2.696 20 0 GFADRO O=C(C[NH2+][C@H](c1ccc(Br)cc1)C1CCC1)NC(=O)NC1CC1 ZINC000540377738 564246703 /nfs/dbraw/zinc/24/67/03/564246703.db2.gz UGQDKRNGYLUCEH-INIZCTEOSA-N 1 0 380.286 2.868 20 0 GFADRO C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000564729780 564247422 /nfs/dbraw/zinc/24/74/22/564247422.db2.gz TUKKODSBZPRBDX-HNAYVOBHSA-N 1 0 394.357 2.872 20 0 GFADRO C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000564729776 564247435 /nfs/dbraw/zinc/24/74/35/564247435.db2.gz TUKKODSBZPRBDX-BEFAXECRSA-N 1 0 394.357 2.872 20 0 GFADRO CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)N(C)CCC[NH+](C)C ZINC000540517088 564250483 /nfs/dbraw/zinc/25/04/83/564250483.db2.gz JUWCKPBORJAKKL-INIZCTEOSA-N 1 0 385.961 2.602 20 0 GFADRO CC(C)[C@@H](C(=O)N1CCN(C(=O)c2cc3sccc3s2)CC1)[NH+](C)C ZINC000473621297 564250727 /nfs/dbraw/zinc/25/07/27/564250727.db2.gz CRSBRSVLCRDLFP-INIZCTEOSA-N 1 0 379.551 2.833 20 0 GFADRO COCC[N@@H+](Cc1cc(Br)cs1)C[C@@H]1CCNC(=O)CC1 ZINC000450845658 564251517 /nfs/dbraw/zinc/25/15/17/564251517.db2.gz KORAFSNXYBSUMN-LBPRGKRZSA-N 1 0 375.332 2.875 20 0 GFADRO O[C@H](C[NH2+]CCCOC1CCOCC1)COc1ccc(Cl)cc1Cl ZINC000564854379 564252326 /nfs/dbraw/zinc/25/23/26/564252326.db2.gz LOLNSXUYHNHDRI-CQSZACIVSA-N 1 0 378.296 2.908 20 0 GFADRO O=C1CCCN1CCC[NH2+]Cc1c(F)ccc(I)c1F ZINC000474482598 564279410 /nfs/dbraw/zinc/27/94/10/564279410.db2.gz MTQAMUQRFHBZMW-UHFFFAOYSA-N 1 0 394.203 2.672 20 0 GFADRO O=S(=O)(NCC[NH+]1CCCC1)c1ccc2cc(Br)ccc2c1 ZINC000473903679 564256022 /nfs/dbraw/zinc/25/60/22/564256022.db2.gz QIPYCIFXIPLQQM-UHFFFAOYSA-N 1 0 383.311 2.976 20 0 GFADRO O=C1N[C@@]2(CCC[NH2+]C2)C(=O)N1CC/C=C\c1ccc(Br)cc1 ZINC000564925716 564258481 /nfs/dbraw/zinc/25/84/81/564258481.db2.gz GFSNKIZIDRVOFN-DIIYHRTISA-N 1 0 378.270 2.526 20 0 GFADRO Cc1cccc(S(=O)(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)c1Br ZINC000564966426 564259854 /nfs/dbraw/zinc/25/98/54/564259854.db2.gz IYFOEEXUNRPGIF-JOCQHMNTSA-N 1 0 375.332 2.801 20 0 GFADRO COC(=O)[C@H](NC(=O)C[NH+]1CCC(C)CC1)c1ccc(Br)cc1 ZINC000474096795 564265212 /nfs/dbraw/zinc/26/52/12/564265212.db2.gz JSSNQKPTZAAQPY-MRXNPFEDSA-N 1 0 383.286 2.511 20 0 GFADRO C[C@@](CO)([NH2+]C[C@@H](O)COc1c(Cl)cccc1Cl)c1cccc(O)c1 ZINC000451039218 564265638 /nfs/dbraw/zinc/26/56/38/564265638.db2.gz OXGGEZZKQBEGDJ-KDOFPFPSSA-N 1 0 386.275 2.936 20 0 GFADRO C[N@@H+]1CCCC[C@H]1CCC(=O)NC[C@@H](CO)Cc1ccc(Br)cc1 ZINC000508556379 564266141 /nfs/dbraw/zinc/26/61/41/564266141.db2.gz LLBCHPZPEFRKAJ-WMZOPIPTSA-N 1 0 397.357 2.981 20 0 GFADRO COCC[N@@H+]1CCN(c2nnc(-c3cc(Cl)ccc3Cl)n2C)C[C@@H]1C ZINC000508566797 564266544 /nfs/dbraw/zinc/26/65/44/564266544.db2.gz AUUBVIBZDQSHBQ-LBPRGKRZSA-N 1 0 384.311 2.946 20 0 GFADRO CCC[C@H]([NH2+]C(C)C)C(=O)NC[C@@H](CO)Cc1cccc(Br)c1 ZINC000508573685 564266875 /nfs/dbraw/zinc/26/68/75/564266875.db2.gz WNBQJFKVMGJRBZ-RDJZCZTQSA-N 1 0 385.346 2.883 20 0 GFADRO O=C(N[C@@H]1COc2cc(F)c(Br)cc21)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000508648050 564268589 /nfs/dbraw/zinc/26/85/89/564268589.db2.gz HLFGRSLPSILVBY-XHDPSFHLSA-N 1 0 396.260 2.677 20 0 GFADRO CC1CC[NH+](CCNS(=O)(=O)Cc2ccc(Br)c(F)c2)CC1 ZINC000451055828 564268762 /nfs/dbraw/zinc/26/87/62/564268762.db2.gz FRVWDUUIKYTIDV-UHFFFAOYSA-N 1 0 393.322 2.740 20 0 GFADRO O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1cc(I)ccc1F ZINC000474227189 564270282 /nfs/dbraw/zinc/27/02/82/564270282.db2.gz DBOKIHGHCBYUEO-RYUDHWBXSA-N 1 0 388.224 2.787 20 0 GFADRO [NH3+]CC12CCC(CC1)CN2S(=O)(=O)c1cccc(OC(F)(F)F)c1F ZINC000565222885 564271854 /nfs/dbraw/zinc/27/18/54/564271854.db2.gz SKJJRMREHFSIAE-UHFFFAOYSA-N 1 0 382.379 2.616 20 0 GFADRO C[N@H+](CCCCc1ccc(Cl)c(Cl)c1)C[C@@H](O)CN1CCOCC1 ZINC000474270608 564272083 /nfs/dbraw/zinc/27/20/83/564272083.db2.gz MBBMEYIVRGLPIR-MRXNPFEDSA-N 1 0 375.340 2.941 20 0 GFADRO Brc1cnc(C[NH2+]CCCO[C@H]2CCOC2)c(Br)c1 ZINC000474369317 564276067 /nfs/dbraw/zinc/27/60/67/564276067.db2.gz KZWGEGGEYMNRQL-NSHDSACASA-N 1 0 394.107 2.892 20 0 GFADRO Cc1cc(S(=O)(=O)N2CCC[C@H](CC[NH3+])C2)c(F)cc1Br ZINC000565363518 564278129 /nfs/dbraw/zinc/27/81/29/564278129.db2.gz ICJHIPXGGKUUPP-LLVKDONJSA-N 1 0 379.295 2.646 20 0 GFADRO COC(=O)C(C)(C)C[NH2+]Cc1c(F)ccc(I)c1F ZINC000474468501 564279670 /nfs/dbraw/zinc/27/96/70/564279670.db2.gz BFKSJMRMINFFIB-UHFFFAOYSA-N 1 0 383.176 2.858 20 0 GFADRO C[C@H](CCc1ccc(I)cc1)[NH2+][C@H]1CCCCNC1=O ZINC000474467363 564279820 /nfs/dbraw/zinc/27/98/20/564279820.db2.gz DSLSLJMJHMWZIS-DOMZBBRYSA-N 1 0 386.277 2.871 20 0 GFADRO C[C@H](C[NH+]1CCOCC1)C(=O)NCCc1c[nH]c2ccc(Br)cc12 ZINC000541491067 564280813 /nfs/dbraw/zinc/28/08/13/564280813.db2.gz PDEQXDDQTBWLCN-CYBMUJFWSA-N 1 0 394.313 2.557 20 0 GFADRO Cc1ccc(Br)c(S(=O)(=O)N[C@H]2CCC[N@@H+](C(C)C)C2)c1 ZINC000474576208 564281483 /nfs/dbraw/zinc/28/14/83/564281483.db2.gz KSCVCRZGBWVVGN-ZDUSSCGKSA-N 1 0 375.332 2.909 20 0 GFADRO O[C@@H](C[NH2+]Cc1nc2c(cccc2Br)[nH]1)COCc1ccco1 ZINC000565475690 564282398 /nfs/dbraw/zinc/28/23/98/564282398.db2.gz CNIKZBNHFVSCFZ-NSHDSACASA-N 1 0 380.242 2.586 20 0 GFADRO Ic1cccc(C[C@H]2CC[N@H+](C[C@@H]3COCCO3)C2)c1 ZINC000451193975 564285576 /nfs/dbraw/zinc/28/55/76/564285576.db2.gz QVPCSLGBVQGVMJ-GDBMZVCRSA-N 1 0 387.261 2.571 20 0 GFADRO CN(C(=O)c1cc(I)ccc1F)[C@H]1CCC[N@H+](C)C1 ZINC000474691875 564286008 /nfs/dbraw/zinc/28/60/08/564286008.db2.gz PVALMYJDTFZXMQ-NSHDSACASA-N 1 0 376.213 2.597 20 0 GFADRO COC[C@]1(C)CC[N@H+](C[C@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000451200578 564286266 /nfs/dbraw/zinc/28/62/66/564286266.db2.gz HYTKOZAMLKDLSO-GOEBONIOSA-N 1 0 376.266 2.686 20 0 GFADRO COC(=O)C[C@@H]1CC[C@@H]([NH2+]CCNC(=O)c2cccc(Br)c2)[C@@H]1C ZINC000474706381 564286635 /nfs/dbraw/zinc/28/66/35/564286635.db2.gz AZPTYDVOQDNLBW-DVOMOZLQSA-N 1 0 397.313 2.746 20 0 GFADRO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)NCCCc1ccc(Cl)cc1Cl ZINC000565561081 564286687 /nfs/dbraw/zinc/28/66/87/564286687.db2.gz JJBFSEPTTOLLIO-CYBMUJFWSA-N 1 0 388.339 2.889 20 0 GFADRO Brc1cc(C[NH2+]CCN2C[C@H]3CC[C@@H](C2)O3)cc2c1OCCCO2 ZINC000451218195 564287609 /nfs/dbraw/zinc/28/76/09/564287609.db2.gz AKGMTVRMIDPPKR-GASCZTMLSA-N 1 0 397.313 2.563 20 0 GFADRO CCOc1cc(C[NH2+]CCN2C[C@H]3CC[C@@H](C2)O3)cc(Br)c1OC ZINC000451222029 564288431 /nfs/dbraw/zinc/28/84/31/564288431.db2.gz LHGLZKFYGNYWRR-GASCZTMLSA-N 1 0 399.329 2.809 20 0 GFADRO CCS(=O)(=O)N1CCC(C[NH2+]Cc2ccc(F)cc2Br)CC1 ZINC000541778145 564288774 /nfs/dbraw/zinc/28/87/74/564288774.db2.gz OLXLFGVBVQLMGU-UHFFFAOYSA-N 1 0 393.322 2.740 20 0 GFADRO CC[NH+](CC)CCOCCNC(=O)N[C@H]1C[C@@H]1c1cccc(Br)c1 ZINC000541818195 564289736 /nfs/dbraw/zinc/28/97/36/564289736.db2.gz YKISLYQZURJUQK-SJORKVTESA-N 1 0 398.345 2.963 20 0 GFADRO O=C(Cc1noc2ccc(Br)cc21)NC1CC[NH+](C2CC2)CC1 ZINC000565652366 564290051 /nfs/dbraw/zinc/29/00/51/564290051.db2.gz KOZHTPMZEOETDB-UHFFFAOYSA-N 1 0 378.270 2.876 20 0 GFADRO O=C(COc1c(Cl)cc(Cl)cc1Cl)NCC[N@@H+]1CCCOCC1 ZINC000451235398 564290120 /nfs/dbraw/zinc/29/01/20/564290120.db2.gz OZCFWKCAOCSKMR-UHFFFAOYSA-N 1 0 381.687 2.864 20 0 GFADRO CC[C@@H]1C[N@H+](C)CCN1C(=O)[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000565679087 564291363 /nfs/dbraw/zinc/29/13/63/564291363.db2.gz QFJPENBGYQHCEV-OCCSQVGLSA-N 1 0 384.307 2.899 20 0 GFADRO C[C@H](CC[NH2+]Cc1c(F)ccc(I)c1F)[S@](C)=O ZINC000474882882 564292313 /nfs/dbraw/zinc/29/23/13/564292313.db2.gz MSGSDZOGSUYIDO-CVJBHZAOSA-N 1 0 387.233 2.816 20 0 GFADRO CC[NH+](CC)CCOC1CCN(S(=O)(=O)c2sccc2Cl)CC1 ZINC000451267468 564293350 /nfs/dbraw/zinc/29/33/50/564293350.db2.gz BJJXYXGQFONDNA-UHFFFAOYSA-N 1 0 380.963 2.913 20 0 GFADRO C[C@H](CCc1ccc(I)cc1)[NH2+]CC(=O)NCC1CC1 ZINC000474931054 564294002 /nfs/dbraw/zinc/29/40/02/564294002.db2.gz MSPZRTNNOLYUAG-GFCCVEGCSA-N 1 0 386.277 2.728 20 0 GFADRO Cc1[nH]c(=O)sc1S(=O)(=O)NCC[NH2+][C@H]1CCC[C@H](CC(C)C)C1 ZINC000474942496 564294590 /nfs/dbraw/zinc/29/45/90/564294590.db2.gz LLORJDWLJRFRRO-KGLIPLIRSA-N 1 0 375.560 2.630 20 0 GFADRO COc1cc(C(F)(F)F)cc(S(=O)(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000451279172 564294757 /nfs/dbraw/zinc/29/47/57/564294757.db2.gz ZWMXUUIOWZNTDW-OLZOCXBDSA-N 1 0 378.416 2.571 20 0 GFADRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)c1cc(I)ccc1F ZINC000474937978 564295024 /nfs/dbraw/zinc/29/50/24/564295024.db2.gz CIDNLQRMERQUQR-LLVKDONJSA-N 1 0 390.240 2.844 20 0 GFADRO CN(Cc1cc(Br)cs1)C(=O)C[NH2+][C@@H](CO)C1CCCCC1 ZINC000541981144 564297247 /nfs/dbraw/zinc/29/72/47/564297247.db2.gz RFVDMKFFHZQHIZ-HNNXBMFYSA-N 1 0 389.359 3.000 20 0 GFADRO C[C@H]1[NH2+]CC[C@@H]1C(=O)N1CCC(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000565830589 564297898 /nfs/dbraw/zinc/29/78/98/564297898.db2.gz IOPJVGSLFMUOSW-WBMJQRKESA-N 1 0 394.313 2.624 20 0 GFADRO C[C@H]1[NH2+]CC[C@H]1C(=O)N1CCC(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000565830588 564297953 /nfs/dbraw/zinc/29/79/53/564297953.db2.gz IOPJVGSLFMUOSW-MLGOLLRUSA-N 1 0 394.313 2.624 20 0 GFADRO Fc1ccc(C[NH2+]CCc2nnnn2-c2ccccc2)cc1Br ZINC000509429145 564298290 /nfs/dbraw/zinc/29/82/90/564298290.db2.gz JVBAGABGMMZNFG-UHFFFAOYSA-N 1 0 376.233 2.896 20 0 GFADRO CC[NH+]1CCN(CCNC(=O)c2ccc(Br)c3cc(C)oc32)CC1 ZINC000509479060 564301083 /nfs/dbraw/zinc/30/10/83/564301083.db2.gz JSPICWHHKMGWBP-UHFFFAOYSA-N 1 0 394.313 2.871 20 0 GFADRO CCOC1CC(O)(C[NH2+]Cc2c(F)ccc(I)c2F)C1 ZINC000475199560 564303087 /nfs/dbraw/zinc/30/30/87/564303087.db2.gz WJQHRZUZMWBECX-UHFFFAOYSA-N 1 0 397.203 2.589 20 0 GFADRO COc1cc(NC(=O)c2cc([C@@H]3CC[NH2+]C3)[nH]n2)cc(OC)c1Br ZINC000566008234 564305522 /nfs/dbraw/zinc/30/55/22/564305522.db2.gz RGAZEKCEXTXGCQ-SECBINFHSA-N 1 0 395.257 2.519 20 0 GFADRO Cn1ncc(Br)c1CN1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000475340949 564305690 /nfs/dbraw/zinc/30/56/90/564305690.db2.gz ZXDACNVYIZOOFF-IYBDPMFKSA-N 1 0 375.314 2.746 20 0 GFADRO CCC[N@H+](C)[C@@H](CNS(=O)(=O)c1ccnn1CC)c1ccc(Cl)cc1 ZINC000509617747 564306105 /nfs/dbraw/zinc/30/61/05/564306105.db2.gz MEWLDXCBIPBJKV-INIZCTEOSA-N 1 0 384.933 2.918 20 0 GFADRO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)C[N@H+](C)[C@@H](C)C(C)(C)O ZINC000451378084 564306735 /nfs/dbraw/zinc/30/67/35/564306735.db2.gz ZESNAWLIUTWSLH-VIFPVBQESA-N 1 0 377.268 2.810 20 0 GFADRO C[C@H]1C[N@H+](C)[C@@H](C)CN1C(=O)c1cc(=O)[nH]c2c(Br)cccc12 ZINC000509670213 564309038 /nfs/dbraw/zinc/30/90/38/564309038.db2.gz ZJOVTFBFUFIYEQ-QWRGUYRKSA-N 1 0 378.270 2.868 20 0 GFADRO C[C@]1([NH2+]CCS(=O)(=O)c2ccc(Br)cc2)CCO[C@@H]1C1CC1 ZINC000542307852 564309557 /nfs/dbraw/zinc/30/95/57/564309557.db2.gz XZKCSWGKNNBIHW-CVEARBPZSA-N 1 0 388.327 2.770 20 0 GFADRO O=S1(=O)CCCC[C@@H]1C[NH2+]Cc1cc(Cl)ccc1OC[C@@H]1CCCO1 ZINC000542312148 564309570 /nfs/dbraw/zinc/30/95/70/564309570.db2.gz WDYJHUDXPCPBQW-DLBZAZTESA-N 1 0 387.929 2.955 20 0 GFADRO COc1ccncc1C[NH2+]C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000566122277 564310224 /nfs/dbraw/zinc/31/02/24/564310224.db2.gz GALKNAFAEBETJN-AWEZNQCLSA-N 1 0 385.233 2.521 20 0 GFADRO CS[C@@H]1CN(S(=O)(=O)Cc2c(F)cccc2Cl)C[C@H]1[NH+]1CCCC1 ZINC000451406981 564310306 /nfs/dbraw/zinc/31/03/06/564310306.db2.gz KQKFVIBPKCOWHT-HZPDHXFCSA-N 1 0 392.949 2.821 20 0 GFADRO CSC1(C[NH2+]C[C@@H](O)COc2ccc(Br)cc2)CCOCC1 ZINC000566116323 564310930 /nfs/dbraw/zinc/31/09/30/564310930.db2.gz OSJBOXHKLAVTMN-CQSZACIVSA-N 1 0 390.343 2.691 20 0 GFADRO Cc1ccc(NC(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)[C@@H]2C)cc1Br ZINC000509738288 564311158 /nfs/dbraw/zinc/31/11/58/564311158.db2.gz AEQVWFZINWOROM-BBRMVZONSA-N 1 0 394.313 2.781 20 0 GFADRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)C(=O)Nc1ccc(F)cc1Br ZINC000509770490 564312543 /nfs/dbraw/zinc/31/25/43/564312543.db2.gz KINPDNZYQWJSPO-ABAIWWIYSA-N 1 0 398.276 2.612 20 0 GFADRO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCN(C(=O)c2cccc(Cl)c2Cl)CC1 ZINC000566167750 564313512 /nfs/dbraw/zinc/31/35/12/564313512.db2.gz JUAWVSKDILDJIK-WFASDCNBSA-N 1 0 384.307 2.666 20 0 GFADRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)C(=O)Nc1cc(F)ccc1Br ZINC000509786845 564313854 /nfs/dbraw/zinc/31/38/54/564313854.db2.gz FOLDQJJJXANSBJ-ABAIWWIYSA-N 1 0 398.276 2.612 20 0 GFADRO O=C(CCNc1ncc(C(F)(F)F)cc1Cl)N1CCC2(CC[NH2+]2)CC1 ZINC000566208339 564316077 /nfs/dbraw/zinc/31/60/77/564316077.db2.gz JLCPTVFWJIYFRU-UHFFFAOYSA-N 1 0 376.810 2.910 20 0 GFADRO CN(Cc1ccc(Br)cc1N1CCOCC1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000475721094 564316818 /nfs/dbraw/zinc/31/68/18/564316818.db2.gz FRTAONOWJZYAMC-GOSISDBHSA-N 1 0 394.357 2.954 20 0 GFADRO CC[NH+](CC)CCO[C@H]1CCN(S(=O)(=O)CCc2cccc(Cl)c2)C1 ZINC000509907542 564317638 /nfs/dbraw/zinc/31/76/38/564317638.db2.gz GBUHFVYUMDIFHO-SFHVURJKSA-N 1 0 388.961 2.645 20 0 GFADRO C[C@H]([NH2+]CC(=O)Nc1ccccc1I)[C@H]1CCCOC1 ZINC000542577259 564318253 /nfs/dbraw/zinc/31/82/53/564318253.db2.gz YXBMZSIWRRUXQC-RYUDHWBXSA-N 1 0 388.249 2.634 20 0 GFADRO CC(C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000566246552 564319078 /nfs/dbraw/zinc/31/90/78/564319078.db2.gz DHNXSJDJSJUXAV-INIZCTEOSA-N 1 0 386.323 2.989 20 0 GFADRO COC(=O)C[C@@H]1CSCC[N@@H+]1C[C@@H](O)COc1cc(Cl)ccc1Cl ZINC000475883139 564323868 /nfs/dbraw/zinc/32/38/68/564323868.db2.gz QKQGDOHUYHLGFY-CHWSQXEVSA-N 1 0 394.320 2.714 20 0 GFADRO C[C@@H](C(=O)NC(=O)NC1CC1)N1CC[C@@H](c2cccc(Br)c2)C1 ZINC000451572622 564327483 /nfs/dbraw/zinc/32/74/83/564327483.db2.gz SFGLEMZAGHPHMC-WCQYABFASA-N 1 0 380.286 2.615 20 0 GFADRO C[C@H]1CCCC[C@@H]1[NH+]1CCC(NCCNS(=O)(=O)c2cccs2)CC1 ZINC000542842721 564328661 /nfs/dbraw/zinc/32/86/61/564328661.db2.gz XITGXUGLXUSIHM-RDJZCZTQSA-N 1 0 385.599 2.659 20 0 GFADRO CC(C)OCC[NH+]1CCC(Nc2ncccc2I)CC1 ZINC000476186542 564329383 /nfs/dbraw/zinc/32/93/83/564329383.db2.gz FHEYMVJBEMFLKE-UHFFFAOYSA-N 1 0 389.281 2.988 20 0 GFADRO C[C@@H](CC[NH3+])NC(=O)c1cccc(Br)c1I ZINC000477190113 564368785 /nfs/dbraw/zinc/36/87/85/564368785.db2.gz RRZLZHSJMQCKIQ-ZETCQYMHSA-N 1 0 397.054 2.521 20 0 GFADRO CCC[N@@H+]1CC[C@H](CNC(=O)N[C@H](CCO)c2ccccc2Br)C1 ZINC000542893093 564330600 /nfs/dbraw/zinc/33/06/00/564330600.db2.gz GBJLDXVIHPJKQJ-RHSMWYFYSA-N 1 0 398.345 2.904 20 0 GFADRO CC[C@H](C)[NH2+][C@H](CNS(=O)(=O)c1cc(C(=O)OC)cs1)c1ccco1 ZINC000510361504 564331308 /nfs/dbraw/zinc/33/13/08/564331308.db2.gz CNCWGDQAEHVLDG-WCQYABFASA-N 1 0 386.495 2.535 20 0 GFADRO O=C(CNC(=O)c1ccc(Cl)c(Cl)c1)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000566656749 564337433 /nfs/dbraw/zinc/33/74/33/564337433.db2.gz VYSAGBIJJDSLIZ-AWEZNQCLSA-N 1 0 384.307 2.856 20 0 GFADRO CS(=O)(=O)c1cccc(Cl)c1C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000476407928 564337951 /nfs/dbraw/zinc/33/79/51/564337951.db2.gz QIKGLIVPCDOTFH-UHFFFAOYSA-N 1 0 384.929 2.692 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CNC(=O)C[C@@H]1CCCC[C@H]1[NH3+] ZINC000566676022 564338094 /nfs/dbraw/zinc/33/80/94/564338094.db2.gz OLZCCFGPDBETTL-GXTWGEPZSA-N 1 0 382.302 2.720 20 0 GFADRO COC(=O)c1c(Cl)cccc1S(=O)(=O)N[C@@H](C)C[NH+]1CCC(C)CC1 ZINC000566690344 564338179 /nfs/dbraw/zinc/33/81/79/564338179.db2.gz MXKANKLJYMBPEB-ZDUSSCGKSA-N 1 0 388.917 2.525 20 0 GFADRO CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C[NH+]2CCCCCC2)cc1Cl ZINC000476580960 564346652 /nfs/dbraw/zinc/34/66/52/564346652.db2.gz VNKDAXRGCULZBG-ZDUSSCGKSA-N 1 0 387.933 2.841 20 0 GFADRO COC(=O)c1ccc(S(=O)(=O)N[C@H](C)C[NH+]2CCCCCC2)c(Cl)c1 ZINC000476582424 564346666 /nfs/dbraw/zinc/34/66/66/564346666.db2.gz QCXZOQJJMCIKCW-CYBMUJFWSA-N 1 0 388.917 2.669 20 0 GFADRO CC(=O)Nc1ccc(S(=O)(=O)N[C@H](C)C[NH+]2CCCCCC2)cc1Cl ZINC000476580959 564346698 /nfs/dbraw/zinc/34/66/98/564346698.db2.gz VNKDAXRGCULZBG-CYBMUJFWSA-N 1 0 387.933 2.841 20 0 GFADRO CC[NH+](CC)CCS(=O)(=O)N1Cc2cc(Br)ccc2C[C@H]1C ZINC000566884522 564347756 /nfs/dbraw/zinc/34/77/56/564347756.db2.gz NUXBLOGHONCRSX-CYBMUJFWSA-N 1 0 389.359 2.867 20 0 GFADRO C[C@@H]1CCC[N@H+](CCNC(=O)c2cc(F)ccc2I)C1 ZINC000510868600 564348298 /nfs/dbraw/zinc/34/82/98/564348298.db2.gz SPXYOJDGXMNNTL-LLVKDONJSA-N 1 0 390.240 2.892 20 0 GFADRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)[C@@H]3CCc4cc(Br)ccc43)[C@H]2C1 ZINC000566915001 564349447 /nfs/dbraw/zinc/34/94/47/564349447.db2.gz DRZZWOITEASYPC-FGTMMUONSA-N 1 0 393.325 2.801 20 0 GFADRO COCCN1CC[C@H]([NH2+]C[C@H]2CCN(c3cccc(Br)c3)C2)C1 ZINC000543397917 564349851 /nfs/dbraw/zinc/34/98/51/564349851.db2.gz CZGSQTKCUQIRKH-WBVHZDCISA-N 1 0 382.346 2.586 20 0 GFADRO COC(=O)c1cc(NC(=O)N[C@H](C)C[C@@H](C)[NH3+])cc(Br)c1F ZINC000566914890 564350114 /nfs/dbraw/zinc/35/01/14/564350114.db2.gz DCCMTEVLRZPAMN-HTQZYQBOSA-N 1 0 376.226 2.622 20 0 GFADRO COc1cc([C@H](C)[NH2+]CCNC(=O)c2cccc(Br)c2)ccn1 ZINC000566922907 564350120 /nfs/dbraw/zinc/35/01/20/564350120.db2.gz AWMKRVIAZXLPOC-LBPRGKRZSA-N 1 0 378.270 2.933 20 0 GFADRO CC1(C)CCC[NH2+][C@H]1CNc1cnn(-c2ccccn2)c(=O)c1Br ZINC000566964573 564351887 /nfs/dbraw/zinc/35/18/87/564351887.db2.gz JGIXEEZPVXPWSA-ZDUSSCGKSA-N 1 0 392.301 2.580 20 0 GFADRO Cc1nccc(NC(=O)N2CCC([C@@H]3[NH2+]CC3(C)C)CC2)c1Br ZINC000567029529 564354510 /nfs/dbraw/zinc/35/45/10/564354510.db2.gz VHVZLOHKZQJUKM-HNNXBMFYSA-N 1 0 381.318 2.816 20 0 GFADRO C[C@H](CCn1cccn1)[NH2+]CCOc1ccc(I)cc1 ZINC000511036356 564354535 /nfs/dbraw/zinc/35/45/35/564354535.db2.gz FSWVQNWAYFMIDC-CYBMUJFWSA-N 1 0 385.249 2.935 20 0 GFADRO O=C([C@@H]1C[C@]12CCc1cc(Br)ccc12)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000567164689 564360445 /nfs/dbraw/zinc/36/04/45/564360445.db2.gz UOUIZPKUNQOACL-UHOSZYNNSA-N 1 0 375.310 2.865 20 0 GFADRO C[C@H](C1CC[NH+](C)CC1)N(C)S(=O)(=O)c1ccc(OC(F)(F)F)cc1 ZINC000543708417 564360932 /nfs/dbraw/zinc/36/09/32/564360932.db2.gz YHJFCGXNVYBKSU-GFCCVEGCSA-N 1 0 380.432 2.936 20 0 GFADRO C[NH+](C)C1CCN(C(=O)c2cc(F)ccc2I)CC1 ZINC000511178368 564361572 /nfs/dbraw/zinc/36/15/72/564361572.db2.gz UQWLVGLVFWTCJM-UHFFFAOYSA-N 1 0 376.213 2.597 20 0 GFADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N(C)Cc1ccc(Br)cc1C ZINC000477005813 564361858 /nfs/dbraw/zinc/36/18/58/564361858.db2.gz KNVOQDDJCNDNQL-AWEZNQCLSA-N 1 0 398.345 2.562 20 0 GFADRO CCn1cc([C@H](C)[NH2+]C[C@@H](O)COc2cc(F)cc(Br)c2)cn1 ZINC000451885691 564362653 /nfs/dbraw/zinc/36/26/53/564362653.db2.gz BBJDQANIATYINT-XHDPSFHLSA-N 1 0 386.265 2.895 20 0 GFADRO CCOC(=O)COc1c(Br)cc(C)cc1CN1CC[NH+](CC)CC1 ZINC000543786266 564364060 /nfs/dbraw/zinc/36/40/60/564364060.db2.gz AIEXVULOGBPTLU-UHFFFAOYSA-N 1 0 399.329 2.837 20 0 GFADRO CC[C@@H](C)[N@H+](C)CCNC(=O)c1ccc(F)c(I)c1 ZINC000477093280 564364257 /nfs/dbraw/zinc/36/42/57/564364257.db2.gz UQZIKSGSTAUQAG-SNVBAGLBSA-N 1 0 378.229 2.890 20 0 GFADRO O=S(=O)(CC[NH2+][C@H](CO)C1CCCCC1)c1cccc(Br)c1 ZINC000543838802 564365914 /nfs/dbraw/zinc/36/59/14/564365914.db2.gz HYMSUZIDPFSXGL-MRXNPFEDSA-N 1 0 390.343 2.754 20 0 GFADRO O=C1CC[C@H]([NH+]2CCN(CCCc3ccccc3Br)CC2)CCN1 ZINC000451919638 564367398 /nfs/dbraw/zinc/36/73/98/564367398.db2.gz SQXXXFKLWQQTRI-KRWDZBQOSA-N 1 0 394.357 2.668 20 0 GFADRO Cc1nn(Cc2cccc(Br)c2)c(C)c1C(=O)N[C@@H](C)CC[NH3+] ZINC000477157836 564368183 /nfs/dbraw/zinc/36/81/83/564368183.db2.gz BRVLOMPCCFIHJC-NSHDSACASA-N 1 0 379.302 2.778 20 0 GFADRO CCCc1c(C(=O)N[C@H](C)CC[NH3+])nnn1Cc1cccc(Br)c1 ZINC000477221496 564369553 /nfs/dbraw/zinc/36/95/53/564369553.db2.gz KKZICGNXNWBWMD-GFCCVEGCSA-N 1 0 394.317 2.509 20 0 GFADRO CN(CCC(=O)N(CCO)Cc1ccc(Br)s1)c1cc[nH+]cc1 ZINC000567419203 564370648 /nfs/dbraw/zinc/37/06/48/564370648.db2.gz MPIZTDCIRQKJTE-UHFFFAOYSA-N 1 0 398.326 2.753 20 0 GFADRO CN(CC[NH2+][C@@H](c1ccc(Cl)cc1)[C@@H]1CN(C)CCO1)CC(F)(F)F ZINC000511383572 564370851 /nfs/dbraw/zinc/37/08/51/564370851.db2.gz YHFHPLJVWAVAKE-HOTGVXAUSA-N 1 0 379.854 2.795 20 0 GFADRO CC(=O)N1CCN(CC[NH2+][C@H]2CCCc3c(Br)cccc32)CC1 ZINC000544008758 564371927 /nfs/dbraw/zinc/37/19/27/564371927.db2.gz PNBQAPKPEOSHFE-SFHVURJKSA-N 1 0 380.330 2.580 20 0 GFADRO C[C@@H](CNC(=O)c1cc(Br)cnc1OCC1CC1)[N@H+](C)C1CC1 ZINC000511442211 564372462 /nfs/dbraw/zinc/37/24/62/564372462.db2.gz DODQPRFLEOYGCN-NSHDSACASA-N 1 0 382.302 2.845 20 0 GFADRO COCCN(CC[NH+](C)C)C(=O)C(=O)Nc1cc(Cl)c(Cl)c(Cl)c1 ZINC000567477448 564373597 /nfs/dbraw/zinc/37/35/97/564373597.db2.gz RRWZPDDEZAUMPH-UHFFFAOYSA-N 1 0 396.702 2.622 20 0 GFADRO Cc1ccc(CCC(=O)NC[C@@H](O)C[NH+]2CCC(C)CC2)c(Br)c1 ZINC000477346170 564373932 /nfs/dbraw/zinc/37/39/32/564373932.db2.gz DLQIEODGPPOBDX-QGZVFWFLSA-N 1 0 397.357 2.899 20 0 GFADRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)NCc1cc2c(c(Br)c1)OCO2 ZINC000567509090 564374530 /nfs/dbraw/zinc/37/45/30/564374530.db2.gz VXWDMPYEWOHWRF-CYBMUJFWSA-N 1 0 398.301 2.851 20 0 GFADRO C[C@@H]1C[C@H](C)CN(C(=O)C[NH2+][C@](C)(CO)c2ccc(Br)cc2)C1 ZINC000511547726 564375567 /nfs/dbraw/zinc/37/55/67/564375567.db2.gz VKCQDEQRSAIUSQ-QWQRMKEZSA-N 1 0 383.330 2.751 20 0 GFADRO C[C@@H](CNS(=O)(=O)c1ccc(OCC(F)F)cc1)[N@@H+]1CCCC[C@H]1C ZINC000544120973 564376137 /nfs/dbraw/zinc/37/61/37/564376137.db2.gz VBJDAYFHFFDDES-KGLIPLIRSA-N 1 0 376.469 2.872 20 0 GFADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(CCCc2ccccc2Br)CC1 ZINC000544143820 564377106 /nfs/dbraw/zinc/37/71/06/564377106.db2.gz OOSVQDWOOGRBAD-GOSISDBHSA-N 1 0 394.357 2.620 20 0 GFADRO COc1cc(Br)c(CNC(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)cc1OC ZINC000567571859 564377520 /nfs/dbraw/zinc/37/75/20/564377520.db2.gz IHPZGXDFQBNWIT-BETUJISGSA-N 1 0 398.301 2.502 20 0 GFADRO C[N@H+](CCOc1ccc(S(N)(=O)=O)cc1F)CCc1ccc(Cl)cc1 ZINC000451993261 564377723 /nfs/dbraw/zinc/37/77/23/564377723.db2.gz UVMYKPJOFWTBPD-UHFFFAOYSA-N 1 0 386.876 2.680 20 0 GFADRO COc1ccc(C[NH2+][C@H]2CCCN(c3ccnn3C)C2)c(Br)c1 ZINC000511753886 564381183 /nfs/dbraw/zinc/38/11/83/564381183.db2.gz IBIZWEQETHXXGU-AWEZNQCLSA-N 1 0 379.302 2.950 20 0 GFADRO C[NH+](C)CC(C)(C)CNC(=O)[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000511759558 564381201 /nfs/dbraw/zinc/38/12/01/564381201.db2.gz UTWCUGXDISWHAC-HNNXBMFYSA-N 1 0 396.329 2.506 20 0 GFADRO C[NH+](C)[C@H]1CCC[C@@H](NCc2cn(-c3ccccc3Br)nn2)C1 ZINC000567652991 564381445 /nfs/dbraw/zinc/38/14/45/564381445.db2.gz BDGFZLPHZFZFEH-HIFRSBDPSA-N 1 0 378.318 2.992 20 0 GFADRO COC[C@]1(CNC(=O)c2cc(Cl)cc(Br)c2F)CCC[NH2+]1 ZINC000567671724 564382664 /nfs/dbraw/zinc/38/26/64/564382664.db2.gz CCKRZSXMMMNTQU-CQSZACIVSA-N 1 0 379.657 2.740 20 0 GFADRO CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CCNC(=O)[C@H]1c1ccccc1Br ZINC000477633848 564383050 /nfs/dbraw/zinc/38/30/50/564383050.db2.gz MJAAJDNMZLIFIN-SWLSCSKDSA-N 1 0 396.329 2.615 20 0 GFADRO CCOCC[C@@H](O)C[NH2+][C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000567684538 564383414 /nfs/dbraw/zinc/38/34/14/564383414.db2.gz LHICHFBQGCVUIL-QWHCGFSZSA-N 1 0 381.826 2.710 20 0 GFADRO C[NH2+]C[C@H]1CCCN1C(=O)Nc1ccc(-c2ccc(Br)s2)nn1 ZINC000567712038 564384163 /nfs/dbraw/zinc/38/41/63/564384163.db2.gz CQNUERZQFBJLPM-SNVBAGLBSA-N 1 0 396.314 3.183 20 0 GFADRO COCC[N@@H+]1CC[C@@H](NC(=O)c2c(C)cc(Br)cc2Cl)C1 ZINC000477734875 564385023 /nfs/dbraw/zinc/38/50/23/564385023.db2.gz XFSURAVEPVSQRM-GFCCVEGCSA-N 1 0 375.694 2.861 20 0 GFADRO Cc1csc([C@@H](C)NCC(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)n1 ZINC000544475018 564387131 /nfs/dbraw/zinc/38/71/31/564387131.db2.gz HPCKBOYUZMIHAU-SNVBAGLBSA-N 1 0 387.914 2.798 20 0 GFADRO CC[NH+]1CCN(CC(C)(C)NS(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000452061565 564387778 /nfs/dbraw/zinc/38/77/78/564387778.db2.gz VQZZGKNPUZCJTM-UHFFFAOYSA-N 1 0 394.368 2.688 20 0 GFADRO COc1ccc(C[NH2+][C@H]2CCCN(c3cnn(C)c3)C2)c(Br)c1 ZINC000511998214 564388969 /nfs/dbraw/zinc/38/89/69/564388969.db2.gz ZDRXTJSUQCKFTF-AWEZNQCLSA-N 1 0 379.302 2.950 20 0 GFADRO COC(=O)c1coc(C[NH2+]CCCNC(=O)c2ccc(Br)cc2)c1 ZINC000544603575 564389673 /nfs/dbraw/zinc/38/96/73/564389673.db2.gz AHAYABOSEZVBLG-UHFFFAOYSA-N 1 0 395.253 2.738 20 0 GFADRO COc1ccc(S(=O)(=O)NCC[N@@H+]2CCCC2(C)C)c(Br)c1 ZINC000452089888 564390323 /nfs/dbraw/zinc/39/03/23/564390323.db2.gz QPFAXZLMIDZXSD-UHFFFAOYSA-N 1 0 391.331 2.610 20 0 GFADRO CCO[C@H]1C[C@]([NH3+])(C(=O)N2CCOc3ccc(Br)cc3C2)C1(C)C ZINC000567823235 564390971 /nfs/dbraw/zinc/39/09/71/564390971.db2.gz OQOOVJZIWBRNML-YJBOKZPZSA-N 1 0 397.313 2.703 20 0 GFADRO O=C(c1cc(Br)c2c(c1)OCCO2)N1CCC2(CC[NH2+]CC2)CC1 ZINC000477953089 564391716 /nfs/dbraw/zinc/39/17/16/564391716.db2.gz BQVOZXLAJUBSDF-UHFFFAOYSA-N 1 0 395.297 2.826 20 0 GFADRO CC(C)C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)N[C@@H](CC[NH3+])C(F)F ZINC000567849354 564392695 /nfs/dbraw/zinc/39/26/95/564392695.db2.gz WABOTQWEOVNEMW-UONOGXRCSA-N 1 0 375.847 2.583 20 0 GFADRO C[C@@H]1CSC[C@@H]1[NH2+]CC(=O)NC[C@@H](c1ccccc1Cl)N1CCCC1 ZINC000512151439 564393609 /nfs/dbraw/zinc/39/36/09/564393609.db2.gz YLZUNDGBAUEXTB-JLSDUUJJSA-N 1 0 381.973 2.934 20 0 GFADRO O[C@H](C[NH2+]C[C@H]1CCC[C@H](O)C1)COc1ccc(Cl)cc1Br ZINC000567876325 564393878 /nfs/dbraw/zinc/39/38/78/564393878.db2.gz QUFNTEUUTHGDRN-FPMFFAJLSA-N 1 0 392.721 2.983 20 0 GFADRO C[C@@H]1CN(C(=O)C[NH2+][C@H](CCO)c2ccc(Cl)c(Cl)c2)C[C@@H](C)O1 ZINC000512185550 564395079 /nfs/dbraw/zinc/39/50/79/564395079.db2.gz JYZRVKKJTGRFMH-XHBSWPGZSA-N 1 0 375.296 2.642 20 0 GFADRO CN1CC[C@@H]([NH2+]Cc2cc(Cl)cc(S(N)(=O)=O)c2)[C@H]1c1ccccc1 ZINC000567902531 564395986 /nfs/dbraw/zinc/39/59/86/564395986.db2.gz OPHYHBKGWXBSHY-QZTJIDSGSA-N 1 0 379.913 2.522 20 0 GFADRO Cc1nccn1CC[NH+]1CCN(Cc2cc(Br)ccc2F)CC1 ZINC000478210747 564396780 /nfs/dbraw/zinc/39/67/80/564396780.db2.gz OIOOZJAGKZOQCA-UHFFFAOYSA-N 1 0 381.293 2.911 20 0 GFADRO CN(CC[NH+]1CCCC1)C(=O)c1ncc(Br)cc1Br ZINC000544736868 564397244 /nfs/dbraw/zinc/39/72/44/564397244.db2.gz IJKDPFRVHVAHMX-UHFFFAOYSA-N 1 0 391.107 2.774 20 0 GFADRO CC[NH+](CC)CCNC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000478246744 564397806 /nfs/dbraw/zinc/39/78/06/564397806.db2.gz AYCVRDFGAVJZSL-SUMWQHHRSA-N 1 0 386.323 2.971 20 0 GFADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2CCc3cc(Br)ccc32)C1 ZINC000567945514 564397926 /nfs/dbraw/zinc/39/79/26/564397926.db2.gz VFSVHARHJPHUFE-WMZOPIPTSA-N 1 0 395.341 2.952 20 0 GFADRO CCO[C@H](CC[NH+](C)C)CNC(=O)[C@H]1CCc2cc(Br)ccc21 ZINC000567941320 564397963 /nfs/dbraw/zinc/39/79/63/564397963.db2.gz QVZGFXWTHDATMD-WBVHZDCISA-N 1 0 383.330 2.952 20 0 GFADRO CCCN(CC[NH+](C)C)C(=O)[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000478450330 564403338 /nfs/dbraw/zinc/40/33/38/564403338.db2.gz NHUMBBCBVCGFAM-INIZCTEOSA-N 1 0 396.329 2.602 20 0 GFADRO COC[C@@]1(CNC(=O)N2CCc3c(Br)cc(C)cc3C2)CCC[NH2+]1 ZINC000568059224 564403511 /nfs/dbraw/zinc/40/35/11/564403511.db2.gz BBXORWVUFPLYIU-SFHVURJKSA-N 1 0 396.329 2.594 20 0 GFADRO C[C@@H]1CN(S(=O)(=O)Cc2cc(Cl)ccc2Br)C[C@@]1(C)C[NH3+] ZINC000568087669 564404143 /nfs/dbraw/zinc/40/41/43/564404143.db2.gz OTOSSEUWJVRGJQ-QMTHXVAHSA-N 1 0 395.750 2.849 20 0 GFADRO N[C@@](C(=O)N1CCC[C@]2(CC[NH2+]C2)C1)(c1cccc(Cl)c1)C(F)(F)F ZINC000568084887 564404470 /nfs/dbraw/zinc/40/44/70/564404470.db2.gz WBIBSEKSVWEJCF-HZPDHXFCSA-N 1 0 375.822 2.658 20 0 GFADRO O=C(NC[C@H]1CCC[N@H+]1CCCO)c1cc2c(cc(Br)cc2F)[nH]1 ZINC000452354609 564407562 /nfs/dbraw/zinc/40/75/62/564407562.db2.gz VTXGYEDHCJRSFS-GFCCVEGCSA-N 1 0 398.276 2.646 20 0 GFADRO COCC[N@H+](C)CCNC(=O)c1ccc(Br)c(OC(F)(F)F)c1 ZINC000512670936 564407760 /nfs/dbraw/zinc/40/77/60/564407760.db2.gz SIHUSWGXJRVMSO-UHFFFAOYSA-N 1 0 399.207 2.656 20 0 GFADRO O=C(NC[C@H]1CCC[N@H+]1CCCO)C1(c2ccc(Br)cc2)CCC1 ZINC000452369768 564408655 /nfs/dbraw/zinc/40/86/55/564408655.db2.gz RVOWFMKTCMCAGP-QGZVFWFLSA-N 1 0 395.341 2.834 20 0 GFADRO O=C(CCCc1ccccc1Br)NC[C@@H]1CCC[N@H+]1CCCO ZINC000452361711 564409309 /nfs/dbraw/zinc/40/93/09/564409309.db2.gz KBRPLSKXSRKUTD-INIZCTEOSA-N 1 0 383.330 2.735 20 0 GFADRO O=C(CCCOc1cccc(Br)c1)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000452372485 564409698 /nfs/dbraw/zinc/40/96/98/564409698.db2.gz CTFQNIBIRQVKDW-INIZCTEOSA-N 1 0 399.329 2.571 20 0 GFADRO O=C(N[C@H]1CCC[N@@H+](CCCO)C1)c1cc2c(cccc2Br)[nH]1 ZINC000452377979 564410169 /nfs/dbraw/zinc/41/01/69/564410169.db2.gz SZYDTJYFUIUNOM-LBPRGKRZSA-N 1 0 380.286 2.507 20 0 GFADRO CC[N@H+](CCNC(=O)C(=O)Nc1ccc(Cl)cc1OC(F)F)C(C)C ZINC000545165020 564411304 /nfs/dbraw/zinc/41/13/04/564411304.db2.gz QIMLZRYNLOVFBG-UHFFFAOYSA-N 1 0 377.819 2.726 20 0 GFADRO C[N@@H+]1CC[C@@](O)(CNC(=O)Nc2ccc(C(F)(F)F)cc2Br)C1 ZINC000545170908 564411409 /nfs/dbraw/zinc/41/14/09/564411409.db2.gz AKPSMLRIZJMEJH-CYBMUJFWSA-N 1 0 396.207 2.656 20 0 GFADRO O=C(NC[C@@H]1CCCC[N@H+]1CCO)c1ccc(Cl)c(Br)c1 ZINC000452382089 564411538 /nfs/dbraw/zinc/41/15/38/564411538.db2.gz XGJIZFXCKJQUKM-LBPRGKRZSA-N 1 0 375.694 2.679 20 0 GFADRO Cc1cc(C(C)(C)C(=O)NC[C@@H]2CCCC[N@@H+]2CCO)ccc1Br ZINC000452382917 564411949 /nfs/dbraw/zinc/41/19/49/564411949.db2.gz ZAINMKHDURRZGS-INIZCTEOSA-N 1 0 397.357 2.998 20 0 GFADRO C[C@H](NC(=O)NCc1cc(Br)cc2c1OCC2)C1=CC[N@H+](C)CC1 ZINC000545198563 564412365 /nfs/dbraw/zinc/41/23/65/564412365.db2.gz RXCVUZGDHGNAOP-LBPRGKRZSA-N 1 0 394.313 2.834 20 0 GFADRO C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)NC[C@H]1CCCC[N@@H+]1CCO ZINC000452389828 564412398 /nfs/dbraw/zinc/41/23/98/564412398.db2.gz MWXKOMWAKKFCPP-CHWSQXEVSA-N 1 0 375.296 2.724 20 0 GFADRO O=C(Cc1cc(Cl)ccc1Br)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000452387015 564412961 /nfs/dbraw/zinc/41/29/61/564412961.db2.gz YUCGJEZCOXKCNI-AWEZNQCLSA-N 1 0 389.721 2.608 20 0 GFADRO CS(=O)(=O)N[C@H]1CCCC[C@H]1C[NH2+]Cc1cc(F)ccc1Br ZINC000512850814 564413491 /nfs/dbraw/zinc/41/34/91/564413491.db2.gz KZVQGGLISIGAQR-NHYWBVRUSA-N 1 0 393.322 2.786 20 0 GFADRO CN(CCOc1ccc(Cl)cc1)C(=O)C[N@@H+]1CC[C@@H](COC(F)F)C1 ZINC000512851329 564413589 /nfs/dbraw/zinc/41/35/89/564413589.db2.gz NMIFLMILJZVUIU-CYBMUJFWSA-N 1 0 376.831 2.738 20 0 GFADRO COCC[N@@H+]1CC[C@H](NC(=O)Nc2ccc(Cl)cc2Br)C1 ZINC000478742993 564413616 /nfs/dbraw/zinc/41/36/16/564413616.db2.gz SSHQMBDDEQWBHJ-NSHDSACASA-N 1 0 376.682 2.945 20 0 GFADRO CS(=O)(=O)N[C@H]1CCCC[C@H]1C[NH2+]Cc1cscc1Br ZINC000512909454 564416011 /nfs/dbraw/zinc/41/60/11/564416011.db2.gz ZAWNQWGFMGMGMD-GWCFXTLKSA-N 1 0 381.361 2.708 20 0 GFADRO CO[C@@H]1CCN(C(=O)c2ccn(-c3ccc(Cl)cc3Cl)n2)[C@@H](C[NH3+])C1 ZINC000568383210 564416265 /nfs/dbraw/zinc/41/62/65/564416265.db2.gz QKXYNHCSRQCMMU-CHWSQXEVSA-N 1 0 383.279 2.757 20 0 GFADRO CSCc1ccc(C[NH2+]Cc2cnn([C@]3(C)CCS(=O)(=O)C3)c2)cc1 ZINC000512971309 564416757 /nfs/dbraw/zinc/41/67/57/564416757.db2.gz CVUABWAPOSJEBX-GOSISDBHSA-N 1 0 379.551 2.570 20 0 GFADRO Brc1cnn(CC[NH2+]Cc2cnc3ccc(Br)cn23)c1 ZINC000512971178 564416830 /nfs/dbraw/zinc/41/68/30/564416830.db2.gz ANQJQSSVVGUEGF-UHFFFAOYSA-N 1 0 399.090 2.846 20 0 GFADRO Cc1nnc(COCC(=O)Nc2ccc(OCC[NH+](C)C)c(Cl)c2)s1 ZINC000513007474 564417556 /nfs/dbraw/zinc/41/75/56/564417556.db2.gz PVEOXARHDKSAQQ-UHFFFAOYSA-N 1 0 384.889 2.596 20 0 GFADRO C[N@@H+](CCC(=O)c1ccc2c(c1)OCCO2)CCn1cc(Br)cn1 ZINC000568441016 564419244 /nfs/dbraw/zinc/41/92/44/564419244.db2.gz DZLSVTDETORTHG-UHFFFAOYSA-N 1 0 394.269 2.622 20 0 GFADRO Cc1cc(Br)cn2cc(CNC(=O)N(CC[NH+](C)C)C(C)C)nc12 ZINC000545411229 564421625 /nfs/dbraw/zinc/42/16/25/564421625.db2.gz IQKXDXZVJTTZKK-UHFFFAOYSA-N 1 0 396.333 2.887 20 0 GFADRO C[C@H]1C[C@@H](NC(=O)C(=O)Nc2ccc(Cl)cc2Br)CC[N@@H+]1C ZINC000479035689 564423089 /nfs/dbraw/zinc/42/30/89/564423089.db2.gz SIFGBRQLVSZIAP-ONGXEEELSA-N 1 0 388.693 2.640 20 0 GFADRO COc1cc(Br)cc(NC(=O)N2C[C@@H]([NH+](C)C)[C@@H](SC)C2)c1 ZINC000545440427 564423679 /nfs/dbraw/zinc/42/36/79/564423679.db2.gz AXBKWRMZZWOKTN-KGLIPLIRSA-N 1 0 388.331 2.967 20 0 GFADRO C[C@H](N[C@H]1CC[N@H+](C)[C@@H](C)C1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000479058395 564423831 /nfs/dbraw/zinc/42/38/31/564423831.db2.gz JLBVCYQSHVTXPN-DCAQKATOSA-N 1 0 380.341 2.774 20 0 GFADRO C[N@H+](C[C@@H](O)CN1CCN(CCc2ccc(Cl)c(Cl)c2)CC1)C1CC1 ZINC000568568219 564424895 /nfs/dbraw/zinc/42/48/95/564424895.db2.gz LJOUOBWZULDPNX-QGZVFWFLSA-N 1 0 386.367 2.609 20 0 GFADRO NC(=O)[C@@H]1CCCN1CCC[NH2+][C@@H](c1ccc(Br)cc1F)C1CC1 ZINC000479081623 564425345 /nfs/dbraw/zinc/42/53/45/564425345.db2.gz ROJPUDNEEIKTHK-DLBZAZTESA-N 1 0 398.320 2.969 20 0 GFADRO C[C@H](NC(=O)c1ccc(-n2cc(Br)cn2)cc1)[C@@H]1CCC[NH2+]C1 ZINC000568619973 564427057 /nfs/dbraw/zinc/42/70/57/564427057.db2.gz TUXRNQPPGBKRLL-GXTWGEPZSA-N 1 0 377.286 2.753 20 0 GFADRO C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)c1cscc1Br ZINC000513366134 564427811 /nfs/dbraw/zinc/42/78/11/564427811.db2.gz IYYFCJPMERGCFN-UHFFFAOYSA-N 1 0 382.283 2.923 20 0 GFADRO COC(=O)c1sc2ccccc2c1CSc1nnnn1CC[NH+](C)C ZINC000568653670 564429013 /nfs/dbraw/zinc/42/90/13/564429013.db2.gz MDQRGYKBHIVXBM-UHFFFAOYSA-N 1 0 377.495 2.528 20 0 GFADRO CC[NH+](CC)[C@@H](C(=O)NCc1nn(C)cc1Br)c1ccccc1 ZINC000452752161 564429835 /nfs/dbraw/zinc/42/98/35/564429835.db2.gz FWNDDWVXQCBGQG-MRXNPFEDSA-N 1 0 379.302 2.882 20 0 GFADRO O=C(CCOc1ccc(Cl)cc1Cl)NC[C@H]1CCCC[N@H+]1CCO ZINC000452789788 564431169 /nfs/dbraw/zinc/43/11/69/564431169.db2.gz BHORBRVRBBEWFU-CQSZACIVSA-N 1 0 375.296 2.725 20 0 GFADRO O=C(N[C@H]1CCC[N@@H+](CCCO)C1)c1c(Cl)cc(F)cc1Br ZINC000452794179 564432540 /nfs/dbraw/zinc/43/25/40/564432540.db2.gz FXANKUQZZFICNU-NSHDSACASA-N 1 0 393.684 2.818 20 0 GFADRO Cn1ccc([C@@H](NC(=O)C[N@H+](C)[C@@H]2CCSC2)c2ccc(Cl)cc2)n1 ZINC000545850098 564433669 /nfs/dbraw/zinc/43/36/69/564433669.db2.gz IGRGWMPVQWCLIM-QAPCUYQASA-N 1 0 378.929 2.716 20 0 GFADRO C[NH+]1CCC(CCNc2ncnc3cccc(I)c32)CC1 ZINC000545865069 564434122 /nfs/dbraw/zinc/43/41/22/564434122.db2.gz BGSJKRNYFWQRRD-UHFFFAOYSA-N 1 0 396.276 3.378 20 0 GFADRO C[C@@H](Sc1ccnc2cc(Cl)ccc21)C(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC000545862102 564434199 /nfs/dbraw/zinc/43/41/99/564434199.db2.gz XSLYNGQQUODDNM-KZULUSFZSA-N 1 0 379.913 2.552 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)C(=O)NCC[N@@H+]1CCC[C@H](C)C1 ZINC000479284314 564434654 /nfs/dbraw/zinc/43/46/54/564434654.db2.gz IZDFTORRACJQKP-ZDUSSCGKSA-N 1 0 396.329 2.798 20 0 GFADRO C[C@H]([NH2+]C[C@@H](O)COc1ccc2c(c1)OCO2)c1ccc(Br)cn1 ZINC000479355136 564437603 /nfs/dbraw/zinc/43/76/03/564437603.db2.gz DBZWMQZPLDPQHX-WCQYABFASA-N 1 0 395.253 2.663 20 0 GFADRO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000568865334 564438979 /nfs/dbraw/zinc/43/89/79/564438979.db2.gz GQVHDBMGRMZQEC-ZFWWWQNUSA-N 1 0 390.933 2.564 20 0 GFADRO CC(C)SCCN1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 ZINC000513960442 564443076 /nfs/dbraw/zinc/44/30/76/564443076.db2.gz IASUFOJWEVXHIH-UHFFFAOYSA-N 1 0 380.938 2.927 20 0 GFADRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CC(=O)Nc3ccc(Br)cc32)C1 ZINC000568982584 564443374 /nfs/dbraw/zinc/44/33/74/564443374.db2.gz AVVMMZDNNWTLNK-SWLSCSKDSA-N 1 0 394.313 2.721 20 0 GFADRO Cn1c2cc(Br)ccc2nc1CN1CCC[C@H](n2ccnn2)C1 ZINC000568977936 564443690 /nfs/dbraw/zinc/44/36/90/564443690.db2.gz HMPNDALTJRPGLW-ZDUSSCGKSA-N 1 0 375.274 2.764 20 0 GFADRO CO[C@H]1CCN(C(=O)c2cc(Br)cc(OC(C)C)c2)[C@@H](C[NH3+])C1 ZINC000568989836 564444136 /nfs/dbraw/zinc/44/41/36/564444136.db2.gz OIRSOXCZTFKOTM-CABCVRRESA-N 1 0 385.302 2.815 20 0 GFADRO O=C(CC[NH+]1CCN(Cc2cscn2)CC1)NCc1ccccc1Cl ZINC000514000629 564444164 /nfs/dbraw/zinc/44/41/64/564444164.db2.gz ZMKNOJRNNXFSGT-UHFFFAOYSA-N 1 0 378.929 2.621 20 0 GFADRO C[C@H](CN1CCOCC1)[NH2+][C@@H](C)c1ccc(F)c(I)c1 ZINC000453061328 564445660 /nfs/dbraw/zinc/44/56/60/564445660.db2.gz OXKOIBWEXISZOC-NEPJUHHUSA-N 1 0 392.256 2.802 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCC(=O)N(C)C1)c1ccc(F)c(I)c1 ZINC000453106821 564446704 /nfs/dbraw/zinc/44/67/04/564446704.db2.gz FOFMFNGHPOQOBH-GXSJLCMTSA-N 1 0 376.213 2.702 20 0 GFADRO CCN(CC)S(=O)(=O)CC[NH2+][C@H](Cc1ccccc1Cl)[C@@H]1CCCO1 ZINC000453100510 564446713 /nfs/dbraw/zinc/44/67/13/564446713.db2.gz MHPKBZGZHAJFIA-MSOLQXFVSA-N 1 0 388.961 2.691 20 0 GFADRO NC(=O)[C@@H]1CCCN1CCC[NH2+][C@@H](Cc1ccccc1Br)C1CC1 ZINC000453111548 564446985 /nfs/dbraw/zinc/44/69/85/564446985.db2.gz OVRZNFOWRWAQIC-ROUUACIJSA-N 1 0 394.357 2.700 20 0 GFADRO O=C(Nc1ccc(Br)cc1)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000479680869 564447677 /nfs/dbraw/zinc/44/76/77/564447677.db2.gz YPDMRGWYDLEEMP-JKSUJKDBSA-N 1 0 382.302 2.948 20 0 GFADRO COCCOc1ccc(Br)cc1NC(=O)NCC1CC[NH2+]CC1 ZINC000569083311 564448348 /nfs/dbraw/zinc/44/83/48/564448348.db2.gz VDVJNKJRXFOAJL-UHFFFAOYSA-N 1 0 386.290 2.595 20 0 GFADRO CCOC(=O)[C@@H](C)[C@H](C)[NH2+]CC(=O)NCCc1cccc(Cl)c1Cl ZINC000514249017 564448524 /nfs/dbraw/zinc/44/85/24/564448524.db2.gz ZSFYUJKOPKDXMQ-RYUDHWBXSA-N 1 0 375.296 2.829 20 0 GFADRO C[C@H]([NH2+]CC1(CO)CCOCC1)c1ccc(F)c(I)c1 ZINC000453180391 564448537 /nfs/dbraw/zinc/44/85/37/564448537.db2.gz VQJVXQUYPQUYDX-NSHDSACASA-N 1 0 393.240 2.870 20 0 GFADRO CC(=O)N1CC[C@@H]([NH2+][C@H](C)c2ccc(F)c(I)c2)C1 ZINC000453148778 564448930 /nfs/dbraw/zinc/44/89/30/564448930.db2.gz PWGJTMLXVJYQCQ-BXKDBHETSA-N 1 0 376.213 2.702 20 0 GFADRO C[C@H]([NH2+]CC(C)(C)OCCO)c1ccc(F)c(I)c1 ZINC000453231215 564449457 /nfs/dbraw/zinc/44/94/57/564449457.db2.gz QIUWQLXEABSXGJ-JTQLQIEISA-N 1 0 381.229 2.868 20 0 GFADRO COC[C@@](C)(O)CC[NH2+][C@H](C)c1ccc(F)c(I)c1 ZINC000453244550 564450783 /nfs/dbraw/zinc/45/07/83/564450783.db2.gz AXUXJXPMKBFOQN-YGRLFVJLSA-N 1 0 381.229 2.868 20 0 GFADRO COCCN(C)S(=O)(=O)[C@@H]1CCC[N@H+](C[C@H](C)c2cccc(Cl)c2)C1 ZINC000569157312 564451496 /nfs/dbraw/zinc/45/14/96/564451496.db2.gz JIZHWVIZKROELG-MAUKXSAKSA-N 1 0 388.961 2.816 20 0 GFADRO CC[C@@H](CNS(C)(=O)=O)[NH2+][C@@H](C)c1cnn(-c2cccc(Cl)c2)c1C ZINC000453289517 564452202 /nfs/dbraw/zinc/45/22/02/564452202.db2.gz RYHLHYDSWMNPRR-WFASDCNBSA-N 1 0 384.933 2.813 20 0 GFADRO CC[C@H](NC(=O)N1CCC[C@@H](n2cc(C[NH3+])nn2)C1)c1ccc(Cl)s1 ZINC000514663062 564452743 /nfs/dbraw/zinc/45/27/43/564452743.db2.gz ODZSWWVGCVXPHO-OLZOCXBDSA-N 1 0 382.921 2.950 20 0 GFADRO CC[C@@H]([NH2+][C@@H](C)Cc1cnn(C)c1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000453337327 564454058 /nfs/dbraw/zinc/45/40/58/564454058.db2.gz JRASQAPINBMVKE-BLLLJJGKSA-N 1 0 384.933 2.654 20 0 GFADRO C[C@H]([NH2+]C[C@H](CO)Cc1cc(Br)ccc1F)C(C)(C)n1cncn1 ZINC000453367328 564454912 /nfs/dbraw/zinc/45/49/12/564454912.db2.gz MCDAVDDRIHPCTQ-QWHCGFSZSA-N 1 0 399.308 2.744 20 0 GFADRO O=C(Nc1ccc(Br)cc1-c1nc(C2CC2)no1)N[C@H]1CC[NH2+]C1 ZINC000569236973 564454922 /nfs/dbraw/zinc/45/49/22/564454922.db2.gz GOGUAPLKSORANJ-NSHDSACASA-N 1 0 392.257 2.860 20 0 GFADRO COC(=O)CNC(=O)CC[N@@H+]1CCCC[C@H]1Cc1ccccc1Br ZINC000569242659 564455614 /nfs/dbraw/zinc/45/56/14/564455614.db2.gz HILLYJCJCWHGIW-HNNXBMFYSA-N 1 0 397.313 2.525 20 0 GFADRO CC(C)[N@@H+]1CC[C@H](N(C)c2nnc(-c3cc(Br)cn3C)n2C)C1 ZINC000453446715 564456826 /nfs/dbraw/zinc/45/68/26/564456826.db2.gz KTDGAASSLYYMKP-ZDUSSCGKSA-N 1 0 381.322 2.502 20 0 GFADRO CSC1(CNC(=O)N(C)Cc2nc3c(s2)CCCC3)CC[NH+](C)CC1 ZINC000569283301 564456958 /nfs/dbraw/zinc/45/69/58/564456958.db2.gz DPCGIKHZDIBBJR-UHFFFAOYSA-N 1 0 382.599 2.991 20 0 GFADRO COc1ccc(Br)cc1C1(C(=O)N[C@H]2CCc3[nH]cnc3C2)CC1 ZINC000514783261 564457176 /nfs/dbraw/zinc/45/71/76/564457176.db2.gz ROOZVTNMGFCFSS-LBPRGKRZSA-N 1 0 390.281 2.886 20 0 GFADRO Cc1cc(Br)c(C[NH2+][C@@H]2CCCC[C@H]2NS(C)(=O)=O)s1 ZINC000453571444 564458392 /nfs/dbraw/zinc/45/83/92/564458392.db2.gz MHDADKIYZYDNIN-VXGBXAGGSA-N 1 0 381.361 2.769 20 0 GFADRO [NH3+]C[C@H]1CC[C@H](CNS(=O)(=O)c2cccc(Br)c2F)CC1 ZINC000569339334 564460312 /nfs/dbraw/zinc/46/03/12/564460312.db2.gz CGFWREFJUKUCOA-XYPYZODXSA-N 1 0 379.295 2.632 20 0 GFADRO CCc1ncc(S(=O)(=O)NC2CC[NH+](Cc3ccccc3C)CC2)s1 ZINC000546598666 564461389 /nfs/dbraw/zinc/46/13/89/564461389.db2.gz JGAAMZSRMNRMIN-UHFFFAOYSA-N 1 0 379.551 2.957 20 0 GFADRO CC(C)[C@H](O)CC[NH2+][C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000480172345 564462365 /nfs/dbraw/zinc/46/23/65/564462365.db2.gz SRQWNDSFOVEYRX-ZIAGYGMSSA-N 1 0 376.316 2.664 20 0 GFADRO COc1c(Br)cc(CN2C[C@H]3C[NH2+]C[C@H]3C2)cc1Br ZINC000569456465 564463885 /nfs/dbraw/zinc/46/38/85/564463885.db2.gz IGSOOONFLMEELL-PHIMTYICSA-N 1 0 390.119 2.871 20 0 GFADRO C[C@@H](C[NH2+][C@@H]1CCS(=O)(=O)c2ccc(Br)cc21)C[C@H](C)O ZINC000480208054 564464020 /nfs/dbraw/zinc/46/40/20/564464020.db2.gz GYRVQALZTFZTLO-UHIISALHSA-N 1 0 376.316 2.664 20 0 GFADRO CC[N@@H+]1CC[C@@H](CN[C@H]2CCS(=O)(=O)c3ccc(Br)cc32)C1 ZINC000480227108 564464562 /nfs/dbraw/zinc/46/45/62/564464562.db2.gz MWYPGZSMNZAVFY-WFASDCNBSA-N 1 0 387.343 2.599 20 0 GFADRO O=C1NC2(CCCC2)C(=O)N1CCCC[NH2+]Cc1ccc(Br)o1 ZINC000480256494 564465780 /nfs/dbraw/zinc/46/57/80/564465780.db2.gz DCARJYKTZRIMCT-UHFFFAOYSA-N 1 0 384.274 2.777 20 0 GFADRO C[NH+](C)[C@]1(CNC(=O)COc2ccc(Br)cc2F)CCSC1 ZINC000480258418 564466266 /nfs/dbraw/zinc/46/62/66/564466266.db2.gz DFBRAYRZOVYOQA-HNNXBMFYSA-N 1 0 391.306 2.521 20 0 GFADRO COc1ccc(S(=O)(=O)NCCC[NH+]2CCCCC2)c(Br)c1 ZINC000480284757 564467512 /nfs/dbraw/zinc/46/75/12/564467512.db2.gz DBRAMXCCPYNNGB-UHFFFAOYSA-N 1 0 391.331 2.612 20 0 GFADRO Cc1c(Br)cccc1NC(=O)C(=O)N1CC[N@@H+](C2CC2)C[C@@H](C)C1 ZINC000453765800 564470272 /nfs/dbraw/zinc/47/02/72/564470272.db2.gz FSJSOELUYPAKRY-GFCCVEGCSA-N 1 0 394.313 2.639 20 0 GFADRO C[C@H](CN1CCN(c2ccccn2)CC1)[NH2+]Cc1ccc(Br)o1 ZINC000480371458 564470465 /nfs/dbraw/zinc/47/04/65/564470465.db2.gz RTOGSFPMJWENEO-CQSZACIVSA-N 1 0 379.302 2.737 20 0 GFADRO C[NH+](C)[C@@]1(CNC(=O)c2cnn(Cc3ccccc3Cl)c2)CCSC1 ZINC000480397384 564471007 /nfs/dbraw/zinc/47/10/07/564471007.db2.gz UASNJOGQPFQGHS-GOSISDBHSA-N 1 0 378.929 2.752 20 0 GFADRO Cc1ccc(NC(=O)C(=O)N2CC[N@@H+](C3CC3)C[C@H](C)C2)cc1Br ZINC000453770730 564471043 /nfs/dbraw/zinc/47/10/43/564471043.db2.gz MGSVLXIXJHGDLI-LBPRGKRZSA-N 1 0 394.313 2.639 20 0 GFADRO O=C(Nc1cc(Cl)c(Cl)c(Cl)c1)C(=O)N[C@H]1CCn2ccnc2C1 ZINC000569611555 564471351 /nfs/dbraw/zinc/47/13/51/564471351.db2.gz YRMGPIKZZHKTKJ-QMMMGPOBSA-N 1 0 387.654 2.913 20 0 GFADRO CC[C@H](NC(=O)C(=O)Nc1ccc(CN(C)C)c(Br)c1)C(F)F ZINC000453786831 564472055 /nfs/dbraw/zinc/47/20/55/564472055.db2.gz GMRKMEBWTQSKIF-LBPRGKRZSA-N 1 0 392.244 2.609 20 0 GFADRO C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)N1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000569739224 564476625 /nfs/dbraw/zinc/47/66/25/564476625.db2.gz LPSTYPMTQCVTDG-FHLIZLRMSA-N 1 0 394.357 2.965 20 0 GFADRO C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)N1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000569739225 564477157 /nfs/dbraw/zinc/47/71/57/564477157.db2.gz LPSTYPMTQCVTDG-JCGIZDLHSA-N 1 0 394.357 2.965 20 0 GFADRO COc1cc(CNC(=O)C[C@H]2CCCC[C@@H]2[NH3+])cc(Br)c1OC ZINC000569807904 564479647 /nfs/dbraw/zinc/47/96/47/564479647.db2.gz XIOOTUDFTWDXHG-OCCSQVGLSA-N 1 0 385.302 2.990 20 0 GFADRO COC1CC[NH+](C(C)(C)CNS(=O)(=O)Cc2ccc(Cl)c(F)c2)CC1 ZINC000480641053 564479962 /nfs/dbraw/zinc/47/99/62/564479962.db2.gz YHHIXUOGILMJGI-UHFFFAOYSA-N 1 0 392.924 2.788 20 0 GFADRO C[C@H](NC[C@]1(O)CC[N@H+](C)C1)c1ccc(Br)cc1Br ZINC000547278366 564481411 /nfs/dbraw/zinc/48/14/11/564481411.db2.gz GMCWKSOFSJMCQM-IINYFYTJSA-N 1 0 392.135 2.929 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)NCC[N@H+]2CC=C(C)CC2)c(Br)c1 ZINC000547275966 564481661 /nfs/dbraw/zinc/48/16/61/564481661.db2.gz MLZXAADSFDYUGZ-UHFFFAOYSA-N 1 0 394.313 2.773 20 0 GFADRO Cc1cccc2c1OC[C@H]([NH2+][C@H](C(N)=O)c1cccc(Br)c1)C2 ZINC000569895156 564483193 /nfs/dbraw/zinc/48/31/93/564483193.db2.gz NWULMZQAJLYSMZ-CVEARBPZSA-N 1 0 375.266 2.877 20 0 GFADRO C[N@@H+]1CC[C@](O)(CNC(=O)C2(c3cccc(Br)c3)CCCCC2)C1 ZINC000547295646 564483661 /nfs/dbraw/zinc/48/36/61/564483661.db2.gz ZHXQHLUJKSASGV-SFHVURJKSA-N 1 0 395.341 2.834 20 0 GFADRO O=C(NC[C@@H]1C[NH2+]CCO1)N1CCCC[C@H]1Cc1cccc(Br)c1 ZINC000569957105 564486162 /nfs/dbraw/zinc/48/61/62/564486162.db2.gz HKTPDLICILGJSZ-IRXDYDNUSA-N 1 0 396.329 2.544 20 0 GFADRO CCn1c(CNC(=O)NC[C@H]2CCC[NH2+]C2)nc2cc(Br)ccc21 ZINC000515811123 564487319 /nfs/dbraw/zinc/48/73/19/564487319.db2.gz SFMRXSMXILDWOD-LBPRGKRZSA-N 1 0 394.317 2.618 20 0 GFADRO COc1ccc(Br)c(CNC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)c1 ZINC000515844702 564488285 /nfs/dbraw/zinc/48/82/85/564488285.db2.gz IPMSZCFRNHPHMP-HZPDHXFCSA-N 1 0 382.302 2.884 20 0 GFADRO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000570035325 564488697 /nfs/dbraw/zinc/48/86/97/564488697.db2.gz QJYRPZOIOABWBG-IOASZLSFSA-N 1 0 394.313 2.543 20 0 GFADRO CC1(C)C[C@@H]([NH2+][C@@H]2CCN(S(C)(=O)=O)C2)c2cc(Br)ccc21 ZINC000570050691 564489714 /nfs/dbraw/zinc/48/97/14/564489714.db2.gz KYUGWLMIZPUEIB-IUODEOHRSA-N 1 0 387.343 2.795 20 0 GFADRO O=S(=O)(c1ccc(C(F)(F)F)cc1F)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000516063807 564492515 /nfs/dbraw/zinc/49/25/15/564492515.db2.gz ZSYGEVDKVHEGPP-VXGBXAGGSA-N 1 0 380.407 2.855 20 0 GFADRO C[C@H](NS(=O)(=O)c1cncc(Br)c1)[C@@H](c1ccccc1)[NH+](C)C ZINC000480896822 564494724 /nfs/dbraw/zinc/49/47/24/564494724.db2.gz JGXNDBCJCOJJIC-LRDDRELGSA-N 1 0 398.326 2.814 20 0 GFADRO COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)NCC[N@@H+]1CCCC1(C)C ZINC000454066788 564494979 /nfs/dbraw/zinc/49/49/79/564494979.db2.gz IOENQXQRGIUHIZ-UHFFFAOYSA-N 1 0 388.295 2.931 20 0 GFADRO COCCOc1c(Cl)cc(S(=O)(=O)N[C@@H](C)CCCC[NH3+])cc1Cl ZINC000570211187 564496091 /nfs/dbraw/zinc/49/60/91/564496091.db2.gz AFQOIKZMPNCZOP-NSHDSACASA-N 1 0 399.340 2.814 20 0 GFADRO CC[C@H]1[NH2+]CC[C@@H]1C(=O)N1CCN(C(=O)c2cc3sccc3s2)CC1 ZINC000570208310 564496241 /nfs/dbraw/zinc/49/62/41/564496241.db2.gz XJKAGCKOZKWTQW-QWHCGFSZSA-N 1 0 377.535 2.635 20 0 GFADRO Cc1ccc(NC(=O)C(=O)NCCCC[N@@H+](C)C2CC2)cc1Br ZINC000454085366 564497113 /nfs/dbraw/zinc/49/71/13/564497113.db2.gz CFVMYELJBGHJHH-UHFFFAOYSA-N 1 0 382.302 2.687 20 0 GFADRO COc1ccc(Br)cc1CNC(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000570382245 564503685 /nfs/dbraw/zinc/50/36/85/564503685.db2.gz LNIWBFURMIIIIM-SLEUVZQESA-N 1 0 382.302 2.645 20 0 GFADRO CCCc1nnc(NC(=O)N(C)C2CC[NH+](CCC(F)(F)F)CC2)s1 ZINC000454286381 564504672 /nfs/dbraw/zinc/50/46/72/564504672.db2.gz COBXGBLJUXYCET-UHFFFAOYSA-N 1 0 379.452 3.371 20 0 GFADRO CC(=O)NC1CCC([NH2+]C[C@@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000516562969 564505389 /nfs/dbraw/zinc/50/53/89/564505389.db2.gz LCSZICJABBJUEG-YMAMQOFZSA-N 1 0 375.296 2.770 20 0 GFADRO Cc1cc(Br)cn2cc(CNC(=O)NCC[C@H]3CCC[NH2+]C3)nc12 ZINC000570428550 564505488 /nfs/dbraw/zinc/50/54/88/564505488.db2.gz AQHYPYOXAINUJG-CYBMUJFWSA-N 1 0 394.317 2.594 20 0 GFADRO FC(F)[C@@H]1C[NH2+]CCN1Cc1ccnc(-c2ccc(Br)cc2)n1 ZINC000570451050 564506237 /nfs/dbraw/zinc/50/62/37/564506237.db2.gz AMNISYWTOBKFED-AWEZNQCLSA-N 1 0 383.240 2.945 20 0 GFADRO CCN(C[C@@H](O)C(F)(F)F)C(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000547673525 564507095 /nfs/dbraw/zinc/50/70/95/564507095.db2.gz JFMPQCWGHSDOCA-UONOGXRCSA-N 1 0 381.826 2.897 20 0 GFADRO C[N@@H+]1CCCN(C(=O)NC[C@@H]2CCN(c3cccc(Br)c3)C2)CC1 ZINC000516707934 564510450 /nfs/dbraw/zinc/51/04/50/564510450.db2.gz IJPUOCJSNWQYHD-HNNXBMFYSA-N 1 0 395.345 2.623 20 0 GFADRO CCO[C@H]1C[C@@H]([NH2+]Cc2cc(=O)n3cc(Br)ccc3n2)C12CCC2 ZINC000516714574 564510704 /nfs/dbraw/zinc/51/07/04/564510704.db2.gz JXRJBHALCCHEGE-CABCVRRESA-N 1 0 392.297 2.894 20 0 GFADRO C[C@@H]1[NH2+]CC[C@@H]1C(=O)NCc1ccc(I)c(Cl)c1 ZINC000516767939 564511689 /nfs/dbraw/zinc/51/16/89/564511689.db2.gz CDGUTLPAFCBWDG-WPRPVWTQSA-N 1 0 378.641 2.559 20 0 GFADRO CCC[C@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl ZINC000547833101 564512243 /nfs/dbraw/zinc/51/22/43/564512243.db2.gz WLVKKGNTGYWOTH-WFASDCNBSA-N 1 0 387.933 2.874 20 0 GFADRO O=S1(=O)CC[C@H]([NH2+][C@H]2CCO[C@H]2C2CC2)c2cc(Br)ccc21 ZINC000547827873 564512719 /nfs/dbraw/zinc/51/27/19/564512719.db2.gz UNIICDIAIGEDKY-DZKIICNBSA-N 1 0 386.311 2.825 20 0 GFADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)NC/C=C\c1ccc(Br)cc1 ZINC000454526794 564512968 /nfs/dbraw/zinc/51/29/68/564512968.db2.gz MIVZBTIBRPALPF-POKLJVKSSA-N 1 0 396.329 2.872 20 0 GFADRO COCC[N@@H+]1CC[C@H](NC(=O)N2CC[C@@H](c3cccc(Br)c3)C2)C1 ZINC000454549898 564513523 /nfs/dbraw/zinc/51/35/23/564513523.db2.gz QURANKDFKYYAQO-WBVHZDCISA-N 1 0 396.329 2.669 20 0 GFADRO OC[C@H](C[NH2+]C[C@@H](O)COc1ccccc1)Cc1cccc(Br)c1 ZINC000516927696 564516820 /nfs/dbraw/zinc/51/68/20/564516820.db2.gz WAHAICNMRSJVBP-FUHWJXTLSA-N 1 0 394.309 2.630 20 0 GFADRO C/C=C\C[C@H](CO)[NH2+]C[C@H](O)COc1ccc(Cl)cc1Br ZINC000570683582 564517333 /nfs/dbraw/zinc/51/73/33/564517333.db2.gz WQWCQPVXWPFDMY-FAQRPARDSA-N 1 0 378.694 2.759 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCc2cc(F)ccc2Br)CC1 ZINC000570682234 564517360 /nfs/dbraw/zinc/51/73/60/564517360.db2.gz XQVUXEKQPNERKH-AEFFLSMTSA-N 1 0 399.304 2.876 20 0 GFADRO CC[NH+](CC)C[C@H](C)NS(=O)(=O)c1cc(Br)c(F)cc1OC ZINC000570698566 564518099 /nfs/dbraw/zinc/51/80/99/564518099.db2.gz HRHUJMJWHRKCGJ-JTQLQIEISA-N 1 0 397.310 2.605 20 0 GFADRO CCCNC(=O)NC(=O)C[NH2+][C@@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000481769476 564523318 /nfs/dbraw/zinc/52/33/18/564523318.db2.gz TZUBIOHYSKWQGP-OAHLLOKOSA-N 1 0 386.265 2.865 20 0 GFADRO C[NH+](C)[C@@]1(CNC(=O)N2CCc3c(Br)cccc3C2)CCSC1 ZINC000481791752 564524239 /nfs/dbraw/zinc/52/42/39/564524239.db2.gz CXGKPWGKRJNEPK-QGZVFWFLSA-N 1 0 398.370 2.954 20 0 GFADRO CCNC(=O)NC(=O)[C@@H](C)[N@H+](C)[C@H](CC)Cc1ccccc1Br ZINC000481849743 564526328 /nfs/dbraw/zinc/52/63/28/564526328.db2.gz XKVDWTWRQTYJGE-TZMCWYRMSA-N 1 0 384.318 2.936 20 0 GFADRO O=C(Nc1ncn(Cc2cccc(Br)c2)n1)[C@H]1CCCCC[NH2+]1 ZINC000570964567 564529560 /nfs/dbraw/zinc/52/95/60/564529560.db2.gz WUFAGWSEKVYACE-CQSZACIVSA-N 1 0 378.274 2.560 20 0 GFADRO C[C@H](Cn1cccn1)[NH2+]C[C@H](O)COc1ccc(Cl)cc1Br ZINC000517321482 564531008 /nfs/dbraw/zinc/53/10/08/564531008.db2.gz AACCSOFHNXJNNS-YPMHNXCESA-N 1 0 388.693 2.717 20 0 GFADRO C[C@@H](Cn1cccn1)[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000517321481 564531143 /nfs/dbraw/zinc/53/11/43/564531143.db2.gz AACCSOFHNXJNNS-WCQYABFASA-N 1 0 388.693 2.717 20 0 GFADRO O=C(NCC[N@@H+]1CCCOCC1)N1CC[C@H](c2cccc(Br)c2)C1 ZINC000455001449 564531567 /nfs/dbraw/zinc/53/15/67/564531567.db2.gz LWTAFJNOMRBHSX-INIZCTEOSA-N 1 0 396.329 2.670 20 0 GFADRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNS(=O)(=O)c1cccc(Br)c1 ZINC000517414379 564533771 /nfs/dbraw/zinc/53/37/71/564533771.db2.gz IXVNNYIJUDVTRX-BETUJISGSA-N 1 0 375.332 2.990 20 0 GFADRO C[C@@H]1CN(C(=O)Nc2ccc(S(C)(=O)=O)c(C(F)F)c2)C[C@H](C)[N@H+]1C ZINC000455074595 564535143 /nfs/dbraw/zinc/53/51/43/564535143.db2.gz OENFNCIRXBXWDM-PHIMTYICSA-N 1 0 375.441 2.584 20 0 GFADRO C[C@H](SC[C@@H]1CN(C)CCO1)C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000517741369 564541474 /nfs/dbraw/zinc/54/14/74/564541474.db2.gz LFJHZGOBCBBCNY-FZMZJTMJSA-N 1 0 378.416 2.976 20 0 GFADRO Cc1cc(F)c(Br)cc1NC(=O)C(=O)N[C@H](C)C[N@@H+](C)C(C)C ZINC000517788963 564542234 /nfs/dbraw/zinc/54/22/34/564542234.db2.gz QCWDIQVVHNLOJM-LLVKDONJSA-N 1 0 388.281 2.680 20 0 GFADRO Cc1c(F)cccc1NC(=O)CC[NH2+]CCn1cc(Br)ccc1=O ZINC000571277877 564543726 /nfs/dbraw/zinc/54/37/26/564543726.db2.gz YZBIBAPQMRULQD-UHFFFAOYSA-N 1 0 396.260 2.677 20 0 GFADRO O=C(NCC[C@H]1CC[NH2+]C1)Nc1ccnn1Cc1ccc(Br)cc1 ZINC000571265970 564543934 /nfs/dbraw/zinc/54/39/34/564543934.db2.gz BYUTYNAOHKLOQY-CYBMUJFWSA-N 1 0 392.301 2.815 20 0 GFADRO CC(C)([NH3+])c1noc(CN2CCO[C@H](c3ccc(F)c(Br)c3)C2)n1 ZINC000571284757 564544817 /nfs/dbraw/zinc/54/48/17/564544817.db2.gz OHIPONRXAJILMK-ZDUSSCGKSA-N 1 0 399.264 2.739 20 0 GFADRO O=C(COc1ccc(Cl)c(Cl)c1)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000518028662 564545198 /nfs/dbraw/zinc/54/51/98/564545198.db2.gz UMPGRZTUPNAMKV-UHFFFAOYSA-N 1 0 386.323 2.612 20 0 GFADRO Cc1ccc(NC(=O)C(=O)N2CC[NH+](C3CCCC3)CC2)cc1Br ZINC000518074235 564546120 /nfs/dbraw/zinc/54/61/20/564546120.db2.gz CNIOXXYNNAVDFA-UHFFFAOYSA-N 1 0 394.313 2.783 20 0 GFADRO O=C(NCCC[NH2+]C1CC1)c1cc(I)ccc1Cl ZINC000571326282 564546342 /nfs/dbraw/zinc/54/63/42/564546342.db2.gz IGQJFLRTAHOGJP-UHFFFAOYSA-N 1 0 378.641 2.817 20 0 GFADRO CC[C@@H]1C[N@H+](C)CCN1C(=O)Nc1cccc(F)c1I ZINC000571377637 564548111 /nfs/dbraw/zinc/54/81/11/564548111.db2.gz UNXQELGMDOJBMQ-SNVBAGLBSA-N 1 0 391.228 2.988 20 0 GFADRO C[C@H](CC[NH+](C)C)NC(=O)N1CCN(c2cccc(Br)c2)CC1 ZINC000571389178 564549448 /nfs/dbraw/zinc/54/94/48/564549448.db2.gz DTZAJKHYJXERPT-CQSZACIVSA-N 1 0 383.334 2.621 20 0 GFADRO Cc1nccc(NC(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)c1Br ZINC000571415264 564550255 /nfs/dbraw/zinc/55/02/55/564550255.db2.gz VRXIRXWRDXQVPP-UONOGXRCSA-N 1 0 375.270 2.533 20 0 GFADRO Cc1ccc(O[C@@H](C)C(=O)N[C@H]2C[NH2+]CCC2(F)F)c(Br)c1 ZINC000571402041 564550357 /nfs/dbraw/zinc/55/03/57/564550357.db2.gz ARDNSZAUUJZIJD-GWCFXTLKSA-N 1 0 377.229 2.638 20 0 GFADRO COc1ccc(C(=O)Nc2cnc3c(c2)C[C@H]([NH3+])CC3)cc1Br ZINC000518361226 564551487 /nfs/dbraw/zinc/55/14/87/564551487.db2.gz PTXDNCHPKKNNPP-GFCCVEGCSA-N 1 0 376.254 2.921 20 0 GFADRO CN(C(=O)C[C@H]1Sc2ccc(Cl)cc2NC1=O)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000518428089 564553528 /nfs/dbraw/zinc/55/35/28/564553528.db2.gz MVSOOCUTZJYNLX-CZUORRHYSA-N 1 0 379.913 2.838 20 0 GFADRO O=C([C@H]1C[N@@H+]2CCN1CCC2)N1CCC[C@@H]1c1ccc(Br)cc1 ZINC000482998567 564556555 /nfs/dbraw/zinc/55/65/55/564556555.db2.gz WRBDCSLOPTVXSA-IAGOWNOFSA-N 1 0 378.314 2.503 20 0 GFADRO CC(C)[NH2+]C1(CO)CCN(CC[S@@](=O)c2cc(Cl)ccc2Cl)CC1 ZINC000518560179 564557114 /nfs/dbraw/zinc/55/71/14/564557114.db2.gz SRUTYHYPZAJJTI-XMMPIXPASA-N 1 0 393.380 2.926 20 0 GFADRO COCCC[N@H+](C)CCNC(=O)Nc1ccc(Br)c(C2CC2)n1 ZINC000455605870 564559463 /nfs/dbraw/zinc/55/94/63/564559463.db2.gz XJJWKZCDYQLDEY-UHFFFAOYSA-N 1 0 385.306 2.811 20 0 GFADRO C[NH+](C)C1CCN(C(=O)Nc2ccn(-c3ccc(Br)cc3)n2)CC1 ZINC000455605931 564559816 /nfs/dbraw/zinc/55/98/16/564559816.db2.gz AQWBZBRNWRPOLG-UHFFFAOYSA-N 1 0 392.301 3.193 20 0 GFADRO C[C@H]1OCC[C@@H]1[N@H+](CCO)CCOc1ccc(Cl)cc1Br ZINC000483264581 564562118 /nfs/dbraw/zinc/56/21/18/564562118.db2.gz FQLPFRDZXKAXII-RISCZKNCSA-N 1 0 378.694 2.953 20 0 GFADRO CCC[NH+]1CCC(CNc2ccc(S(N)(=O)=O)c(C(F)(F)F)c2)CC1 ZINC000518849729 564563400 /nfs/dbraw/zinc/56/34/00/564563400.db2.gz XKKAKCKWZSBMQM-UHFFFAOYSA-N 1 0 379.448 2.887 20 0 GFADRO O=S(=O)(CC[NH+]1CCCC1)NCc1cnc(-c2ccc(Cl)cc2)s1 ZINC000571782976 564566123 /nfs/dbraw/zinc/56/61/23/564566123.db2.gz IZIJJSIARCBFSI-UHFFFAOYSA-N 1 0 385.942 2.979 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(I)cn2)C[C@H]1C ZINC000455728757 564566375 /nfs/dbraw/zinc/56/63/75/564566375.db2.gz BFTBIWRFOIADFQ-YPMHNXCESA-N 1 0 387.265 2.631 20 0 GFADRO CCn1cc(Br)cc1C(=O)N1C[C@H](SC)[C@@H]([NH+]2CCCC2)C1 ZINC000483406782 564567497 /nfs/dbraw/zinc/56/74/97/564567497.db2.gz MHTHDMOPSMTAFP-GJZGRUSLSA-N 1 0 386.359 2.922 20 0 GFADRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNS(=O)(=O)c2cccc3nsnc32)C1 ZINC000519002244 564567733 /nfs/dbraw/zinc/56/77/33/564567733.db2.gz SZAPBVYIJUKJNE-ZIAGYGMSSA-N 1 0 382.555 2.728 20 0 GFADRO O=S1(=O)CC[C@H]([NH2+][C@@H]2CCC[C@@H]2CCO)c2cc(Br)ccc21 ZINC000548636877 564568336 /nfs/dbraw/zinc/56/83/36/564568336.db2.gz WVLVVJOOOIUXBA-DFBGVHRSSA-N 1 0 388.327 2.808 20 0 GFADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(CCOc2c(Cl)cccc2Cl)CC1 ZINC000483507496 564568989 /nfs/dbraw/zinc/56/89/89/564568989.db2.gz JQBKHRVOIYXFCU-INIZCTEOSA-N 1 0 386.323 2.611 20 0 GFADRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)NCCNc1ncc(C(F)(F)F)cc1Cl ZINC000519117998 564570061 /nfs/dbraw/zinc/57/00/61/564570061.db2.gz VRUNYLJCGSRIFT-UWVGGRQHSA-N 1 0 379.814 2.544 20 0 GFADRO C[C@H]1CN(C(=O)[C@H]2CCc3cc(Br)ccc32)CC[N@@H+]1CC(C)(C)O ZINC000571883151 564570967 /nfs/dbraw/zinc/57/09/67/564570967.db2.gz FLYZGUDLEUXZBM-GUYCJALGSA-N 1 0 395.341 2.783 20 0 GFADRO C[C@H](CNC(=O)Nc1cc(F)c(F)cc1I)[NH+](C)C ZINC000483605158 564571254 /nfs/dbraw/zinc/57/12/54/564571254.db2.gz IHBCWIQAHSOZBE-SSDOTTSWSA-N 1 0 383.180 2.641 20 0 GFADRO C[N@H+](CCn1cc(Br)cn1)C[C@@H](O)COc1ccc(Cl)cc1 ZINC000571956792 564574545 /nfs/dbraw/zinc/57/45/45/564574545.db2.gz IFDYPIHQLKNKHH-CQSZACIVSA-N 1 0 388.693 2.671 20 0 GFADRO O=C(NC[C@@H]1C[NH2+]CCCO1)Nc1cc(Br)ccc1N1CCCC1 ZINC000571982140 564575638 /nfs/dbraw/zinc/57/56/38/564575638.db2.gz RIDDRGOKJUYETD-AWEZNQCLSA-N 1 0 397.317 2.549 20 0 GFADRO C[C@@H]1C[C@H](C)CN(S(=O)(=O)N(CC[NH+](C)C)Cc2cccc(Cl)c2)C1 ZINC000519412468 564577008 /nfs/dbraw/zinc/57/70/08/564577008.db2.gz SQKOAACSJWRNFP-IYBDPMFKSA-N 1 0 387.977 2.926 20 0 GFADRO Cc1nc2cc(Cl)c(NC(=O)C(=O)NCC(C)(C)C[NH+](C)C)cc2s1 ZINC000483926195 564578104 /nfs/dbraw/zinc/57/81/04/564578104.db2.gz OOSWKXSXIXLVNB-UHFFFAOYSA-N 1 0 382.917 2.901 20 0 GFADRO C[C@H](CNC(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1)Oc1cccc(Br)c1 ZINC000519530303 564579898 /nfs/dbraw/zinc/57/98/98/564579898.db2.gz NNTFQYOQINFBQU-DVOMOZLQSA-N 1 0 382.302 2.610 20 0 GFADRO CCCNC(=O)NC(=O)C[NH2+][C@H](CCOC)c1ccc(Cl)c(Cl)c1 ZINC000519552810 564580992 /nfs/dbraw/zinc/58/09/92/564580992.db2.gz JTSUEZVGAAXJMY-CQSZACIVSA-N 1 0 376.284 2.896 20 0 GFADRO CN(C(=O)NCC[C@@H]1CCC[NH2+]C1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000519592930 564582442 /nfs/dbraw/zinc/58/24/42/564582442.db2.gz PEFZGPYXYLEPIE-MZPVMMEZSA-N 1 0 386.323 2.983 20 0 GFADRO CN(Cc1c(Cl)cccc1Cl)C(=O)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000484202893 564583387 /nfs/dbraw/zinc/58/33/87/564583387.db2.gz QACKYWBRAPVRIT-STQMWFEESA-N 1 0 386.323 2.941 20 0 GFADRO C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)[C@H]([NH3+])C2CCC2)CC1 ZINC000572154416 564583487 /nfs/dbraw/zinc/58/34/87/564583487.db2.gz SYFPJRCWXMOUKE-SUMWQHHRSA-N 1 0 380.330 2.782 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)c2nn(-c3ccc(F)cc3)cc2Br)C1 ZINC000484197676 564583457 /nfs/dbraw/zinc/58/34/57/564583457.db2.gz DLPDMTAPCVGGGU-MNOVXSKESA-N 1 0 381.249 2.583 20 0 GFADRO CN(C)c1cc(NS(=O)(=O)c2c(F)cccc2OC(F)(F)F)cc[nH+]1 ZINC000572200810 564584668 /nfs/dbraw/zinc/58/46/68/564584668.db2.gz HALHTEZLVGZDKK-UHFFFAOYSA-N 1 0 379.335 2.986 20 0 GFADRO COc1cc(NC(=O)CC[N@@H+]2CC[C@H](OC(F)F)C2)c(OC)cc1Cl ZINC000549082727 564586115 /nfs/dbraw/zinc/58/61/15/564586115.db2.gz WIWHKRVEZDQGIF-JTQLQIEISA-N 1 0 378.803 2.999 20 0 GFADRO CC(C)[N@@H+]1CC[C@@H](CNc2cnn(-c3ccccn3)c(=O)c2Br)C1 ZINC000549133492 564587277 /nfs/dbraw/zinc/58/72/77/564587277.db2.gz GSQJCVBQBHEUFT-ZDUSSCGKSA-N 1 0 392.301 2.532 20 0 GFADRO C[C@H](CCS(C)(=O)=O)[NH2+][C@H](C)c1ccccc1I ZINC000484399707 564587610 /nfs/dbraw/zinc/58/76/10/564587610.db2.gz PADPMORYLYKXAW-GHMZBOCLSA-N 1 0 381.279 2.765 20 0 GFADRO C[C@@]1(C[NH2+]CCS(=O)(=O)c2cccc(Br)c2)CCCC[C@@H]1O ZINC000572286145 564588109 /nfs/dbraw/zinc/58/81/09/564588109.db2.gz VCPGNLWJBODRDG-HOTGVXAUSA-N 1 0 390.343 2.754 20 0 GFADRO CO[C@H]1C[C@@H](CN(C)Cc2cn(-c3cccc(Cl)c3Cl)nn2)[N@H+](C)C1 ZINC000572286496 564588569 /nfs/dbraw/zinc/58/85/69/564588569.db2.gz LVSFZHFKLALBKO-KBPBESRZSA-N 1 0 384.311 2.725 20 0 GFADRO CCN(CC[NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1)C(C)C ZINC000519766707 564590119 /nfs/dbraw/zinc/59/01/19/564590119.db2.gz ZUTAMOMDQXIUJC-OAHLLOKOSA-N 1 0 377.298 2.648 20 0 GFADRO Brc1c[nH+]c(NCc2cc3cccnc3o2)cc1N1CCOCC1 ZINC000572351508 564590608 /nfs/dbraw/zinc/59/06/08/564590608.db2.gz GAJSEYTYJLHYTQ-UHFFFAOYSA-N 1 0 389.253 3.434 20 0 GFADRO O[C@@H]1[C@H](C[NH2+]Cc2cc3c(cc2Br)OCO3)CCC12CCOCC2 ZINC000549264404 564590653 /nfs/dbraw/zinc/59/06/53/564590653.db2.gz ZVHKLEXQMCBCKS-YVEFUNNKSA-N 1 0 398.297 2.835 20 0 GFADRO O[C@@H]1[C@@H](C[NH2+]Cc2cc3c(cc2Br)OCO3)CCC12CCOCC2 ZINC000549264403 564590680 /nfs/dbraw/zinc/59/06/80/564590680.db2.gz ZVHKLEXQMCBCKS-SJKOYZFVSA-N 1 0 398.297 2.835 20 0 GFADRO CS(=O)(=O)N1CC[C@@H]([NH2+][C@@H]2CCCCc3cc(Br)ccc32)C1 ZINC000519826673 564592120 /nfs/dbraw/zinc/59/21/20/564592120.db2.gz LJBWVVCQKKRODD-GDBMZVCRSA-N 1 0 387.343 2.840 20 0 GFADRO COc1cc(Br)c(Cl)cc1C(=O)NCCN1CCSCC1 ZINC000519827185 564592483 /nfs/dbraw/zinc/59/24/83/564592483.db2.gz WLQZWGCBOHIGOU-UHFFFAOYSA-N 1 0 393.734 2.890 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H](CNS(=O)(=O)c2cc(Br)c(F)cc2F)C1 ZINC000572403336 564593045 /nfs/dbraw/zinc/59/30/45/564593045.db2.gz DUVHHEIAAQJDMT-RKDXNWHRSA-N 1 0 383.258 2.523 20 0 GFADRO CCO[C@@H]1COCC[C@@H]1[NH2+]CC(=O)N[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000484639939 564593631 /nfs/dbraw/zinc/59/36/31/564593631.db2.gz GTWPDRDOIGVTSR-KNXALSJPSA-N 1 0 375.296 2.954 20 0 GFADRO C[C@@H]1C[C@@H](C)N(C(=O)c2cc(=O)c3cc(Br)ccc3[nH]2)C[C@@H]1C[NH3+] ZINC000572474432 564596320 /nfs/dbraw/zinc/59/63/20/564596320.db2.gz SHCRPJANAFRNBK-UTUOFQBUSA-N 1 0 392.297 2.736 20 0 GFADRO CCCOc1c(Br)cc(C[NH2+]C[C@@]2(O)CCOC2)cc1OCC ZINC000572494689 564597310 /nfs/dbraw/zinc/59/73/10/564597310.db2.gz HUOZWHHGYXPLTM-KRWDZBQOSA-N 1 0 388.302 2.878 20 0 GFADRO CC[NH+]1CCN(CCC(=O)N[C@H]2CCc3c2ccc(F)c3Br)CC1 ZINC000456279749 564598150 /nfs/dbraw/zinc/59/81/50/564598150.db2.gz RHQASCOOCNHWFJ-INIZCTEOSA-N 1 0 398.320 2.719 20 0 GFADRO C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)Nc1ccc(Br)cc1C(F)(F)F ZINC000572602239 564601171 /nfs/dbraw/zinc/60/11/71/564601171.db2.gz LQKLGXDEHJJXDX-SFYZADRCSA-N 1 0 396.207 2.648 20 0 GFADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)COc1cccnc1 ZINC000520339432 564601767 /nfs/dbraw/zinc/60/17/67/564601767.db2.gz VWPNZHJSOJTJEH-UHFFFAOYSA-N 1 0 392.297 2.813 20 0 GFADRO O=C(NCCOc1cccc(Br)c1)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000572617507 564602352 /nfs/dbraw/zinc/60/23/52/564602352.db2.gz VJZHPINRYFEOSX-LSDHHAIUSA-N 1 0 396.329 2.859 20 0 GFADRO C[NH+](C)CCn1nccc1NC(=O)N[C@@H]1C[C@H]1c1ccc(Br)s1 ZINC000520348765 564602722 /nfs/dbraw/zinc/60/27/22/564602722.db2.gz WTVDPZNYAWSVTD-GHMZBOCLSA-N 1 0 398.330 2.946 20 0 GFADRO CCO[C@@H](C)C(=O)Nc1cc(Br)ccc1N1CC[N@H+](C)C[C@H]1C ZINC000456371018 564603821 /nfs/dbraw/zinc/60/38/21/564603821.db2.gz MZGKPRCCKKSYQC-OLZOCXBDSA-N 1 0 384.318 2.953 20 0 GFADRO C[C@H]1C[N@H+](C)CCN1c1ccc(Br)cc1NC(=O)c1ccon1 ZINC000456376294 564603962 /nfs/dbraw/zinc/60/39/62/564603962.db2.gz RVLFZYWWWLTYNC-NSHDSACASA-N 1 0 379.258 2.830 20 0 GFADRO CC[N@@H+]1CC[C@H]2OCCN(Cc3ccc(I)cc3)[C@H]2C1 ZINC000572784789 564609831 /nfs/dbraw/zinc/60/98/31/564609831.db2.gz PBAYITIGZWPFRX-JKSUJKDBSA-N 1 0 386.277 2.586 20 0 GFADRO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N[C@H](C)c2ccc(Br)cc2)C1 ZINC000549966419 564612025 /nfs/dbraw/zinc/61/20/25/564612025.db2.gz OPCLLQMYNYRARA-CZUORRHYSA-N 1 0 396.329 2.569 20 0 GFADRO C[NH+](C)C1(CNC(=O)C(=O)NCCc2cc(Cl)cc(Cl)c2)CCCC1 ZINC000550002267 564612986 /nfs/dbraw/zinc/61/29/86/564612986.db2.gz IJHKWONFXJYJMS-UHFFFAOYSA-N 1 0 386.323 2.643 20 0 GFADRO C[C@@H](NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1)c1cc(F)c(Cl)cc1Cl ZINC000550031341 564613909 /nfs/dbraw/zinc/61/39/09/564613909.db2.gz SOBIQZQECDTHKM-NXEZZACHSA-N 1 0 388.270 2.663 20 0 GFADRO CCCC[N@H+](C)C[C@@H](C)NC(=O)C(=O)Nc1cccc(C)c1Br ZINC000572894262 564614669 /nfs/dbraw/zinc/61/46/69/564614669.db2.gz CXVMNMYNPBTWSK-CYBMUJFWSA-N 1 0 384.318 2.933 20 0 GFADRO O[C@H](CCc1ccccc1)C[NH2+]C[C@@H](O)COc1ccccc1Br ZINC000521044211 564618385 /nfs/dbraw/zinc/61/83/85/564618385.db2.gz UAQFGLOGGBOHKI-IAGOWNOFSA-N 1 0 394.309 2.772 20 0 GFADRO COCC[C@@]1([NH2+]CC(=O)N[C@@H](C)c2ccc(Cl)c(Cl)c2)CCOC1 ZINC000573057077 564620831 /nfs/dbraw/zinc/62/08/31/564620831.db2.gz JXWNTLCDTZBYST-YVEFUNNKSA-N 1 0 375.296 2.956 20 0 GFADRO CN(Cc1ccc(Cl)cc1)C(=O)C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000550384584 564622683 /nfs/dbraw/zinc/62/26/83/564622683.db2.gz BFBVCPBMCLOCBC-HNNXBMFYSA-N 1 0 379.913 2.779 20 0 GFADRO COC(=O)C1CC[NH+](CCCNC(=O)c2cc3cc(Cl)sc3[nH]2)CC1 ZINC000485703151 564623399 /nfs/dbraw/zinc/62/33/99/564623399.db2.gz FSFCEISTHMHCLZ-UHFFFAOYSA-N 1 0 383.901 2.888 20 0 GFADRO CS(=O)(=O)CC1CCC([NH2+]Cc2ccc(OCC(F)(F)F)nc2)CC1 ZINC000573112814 564623528 /nfs/dbraw/zinc/62/35/28/564623528.db2.gz STQQZMWFSKRUSW-UHFFFAOYSA-N 1 0 380.432 2.716 20 0 GFADRO CS(=O)(=O)N1CCC[C@H]([NH2+]Cc2cc3cc(Br)ccc3o2)C1 ZINC000521273022 564623729 /nfs/dbraw/zinc/62/37/29/564623729.db2.gz JHJKQCNUPPWEJH-ZDUSSCGKSA-N 1 0 387.299 2.709 20 0 GFADRO CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]CC(=O)Nc3ccc(Br)cc3)[C@H]2C1 ZINC000573132866 564624309 /nfs/dbraw/zinc/62/43/09/564624309.db2.gz IJVIESVEVOOLCR-RRQGHBQHSA-N 1 0 394.313 2.624 20 0 GFADRO COCCO[C@@H]1COCC[C@@H]1[NH2+][C@H]1CCc2cc(Br)ccc2C1 ZINC000485719616 564624766 /nfs/dbraw/zinc/62/47/66/564624766.db2.gz OLQRWTLHKXWNGU-OKZBNKHCSA-N 1 0 384.314 2.717 20 0 GFADRO O=C(Nc1cccc2c1CC[NH2+]C2)N[C@H](CO)c1cccc(Br)c1 ZINC000521360236 564625611 /nfs/dbraw/zinc/62/56/11/564625611.db2.gz HUNWKFNIJNHNGI-QGZVFWFLSA-N 1 0 390.281 2.950 20 0 GFADRO C[C@@H](Cc1ccc(F)c(Br)c1)NC(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000485794720 564625973 /nfs/dbraw/zinc/62/59/73/564625973.db2.gz YRDIJFKYKCKRGU-JQWIXIFHSA-N 1 0 395.276 2.749 20 0 GFADRO O=C(NCCCOc1ccc(Cl)cc1Cl)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000485808607 564625988 /nfs/dbraw/zinc/62/59/88/564625988.db2.gz BNTRLSHPRAGWDR-NSHDSACASA-N 1 0 383.279 2.992 20 0 GFADRO C[C@H](Cc1ccc(F)c(Br)c1)NC(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000485794721 564626282 /nfs/dbraw/zinc/62/62/82/564626282.db2.gz YRDIJFKYKCKRGU-PWSUYJOCSA-N 1 0 395.276 2.749 20 0 GFADRO O[C@@H](C[NH2+]CCc1c[nH]c2ncccc12)COc1ccc(Br)cc1 ZINC000521427031 564626720 /nfs/dbraw/zinc/62/67/20/564626720.db2.gz YFJPGZLXGMDERS-HNNXBMFYSA-N 1 0 390.281 2.897 20 0 GFADRO CC[NH+](CC)[C@@H](CNC(=O)C(=O)N1CCSC(C)(C)C1)c1ccsc1 ZINC000550636031 564627621 /nfs/dbraw/zinc/62/76/21/564627621.db2.gz KKEZNLLXBLCTRJ-HNNXBMFYSA-N 1 0 383.583 2.601 20 0 GFADRO COc1cc(C(=O)N(C)[C@@H]2C[NH+]3CCC2CC3)cc(Br)c1OC ZINC000550707997 564629875 /nfs/dbraw/zinc/62/98/75/564629875.db2.gz XRSPBBPZGCXHAM-CQSZACIVSA-N 1 0 383.286 2.633 20 0 GFADRO O=S(=O)(NC1CCN(Cc2ccc3c(n2)CCC3)CC1)c1cccs1 ZINC000521569254 564630695 /nfs/dbraw/zinc/63/06/95/564630695.db2.gz VFMJWFAPQRMJIT-UHFFFAOYSA-N 1 0 377.535 2.575 20 0 GFADRO C[C@@H](CNC(=O)C(=O)NCc1cccc(Cl)c1Cl)C[NH+]1CCCCC1 ZINC000550810507 564631322 /nfs/dbraw/zinc/63/13/22/564631322.db2.gz PBCUNEKWTVTRMO-ZDUSSCGKSA-N 1 0 386.323 2.848 20 0 GFADRO C[NH+](C)CCC1CCN(C(=O)C(=O)NCc2cccc(Cl)c2Cl)CC1 ZINC000550814356 564632269 /nfs/dbraw/zinc/63/22/69/564632269.db2.gz OBOGSBNHLSVYBI-UHFFFAOYSA-N 1 0 386.323 2.800 20 0 GFADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)COc1cc(Cl)c(Cl)cc1Cl ZINC000521665042 564634321 /nfs/dbraw/zinc/63/43/21/564634321.db2.gz AKQAMOUJWDLRIS-LLVKDONJSA-N 1 0 394.730 2.778 20 0 GFADRO CN(Cc1c(Cl)cccc1Cl)C(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000551138007 564639082 /nfs/dbraw/zinc/63/90/82/564639082.db2.gz HUPKPSQRBLWJNH-JKSUJKDBSA-N 1 0 384.307 2.695 20 0 GFADRO O=S(=O)(NC[C@@H]1CC[N@@H+](C2CC2)C1)c1cccc(Br)c1Cl ZINC000551168154 564640040 /nfs/dbraw/zinc/64/00/40/564640040.db2.gz WXBKXHBRJPXGBR-JTQLQIEISA-N 1 0 393.734 2.865 20 0 GFADRO CO[C@@H]1CC[N@H+](Cc2cc(=O)n3cc(Br)ccc3n2)CC1(C)C ZINC000521971551 564640878 /nfs/dbraw/zinc/64/08/78/564640878.db2.gz SJWXFNVVSSTLDI-CQSZACIVSA-N 1 0 380.286 2.704 20 0 GFADRO O=C(NCC[NH2+]Cc1cccc(I)c1)c1cccs1 ZINC000551185921 564640968 /nfs/dbraw/zinc/64/09/68/564640968.db2.gz BFLHVIUUIOHSMN-UHFFFAOYSA-N 1 0 386.258 2.872 20 0 GFADRO COc1ccc(C[NH2+]C[C@H](O)COc2ccc(Cl)cc2Cl)c(OC)n1 ZINC000521995794 564641704 /nfs/dbraw/zinc/64/17/04/564641704.db2.gz KHHRKMMKUPBUIN-ZDUSSCGKSA-N 1 0 387.263 2.935 20 0 GFADRO C(CC[NH+]1CCO[C@@]2(CCSC2)C1)CC[N@@H+]1CCO[C@@]2(CCSC2)C1 ZINC000573560748 564643574 /nfs/dbraw/zinc/64/35/74/564643574.db2.gz BONNNDCZJPETDV-OALUTQOASA-N 1 0 386.627 2.573 20 0 GFADRO COc1cc(Br)c(CN2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)cc1O ZINC000573576738 564644116 /nfs/dbraw/zinc/64/41/16/564644116.db2.gz WIYVARLHYYPAJJ-MAUKXSAKSA-N 1 0 399.329 2.882 20 0 GFADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@H]1C[C@H]1c1cccc(Br)c1 ZINC000522101357 564644202 /nfs/dbraw/zinc/64/42/02/564644202.db2.gz CGQZLQZAPRNWEB-IKGGRYGDSA-N 1 0 396.329 2.715 20 0 GFADRO Cc1cc(NC(=O)CC[NH2+][C@H](C)Cc2ccc(F)c(Br)c2)no1 ZINC000573595723 564645507 /nfs/dbraw/zinc/64/55/07/564645507.db2.gz HZKHGAHUYYBATF-SNVBAGLBSA-N 1 0 384.249 3.434 20 0 GFADRO CNC(=O)Cc1nc(C[NH2+][C@@H]2CCN(C)[C@@H]2c2ccc(Cl)cc2)cs1 ZINC000573648817 564647879 /nfs/dbraw/zinc/64/78/79/564647879.db2.gz QTXXBUADZRGNGY-CRAIPNDOSA-N 1 0 378.929 2.620 20 0 GFADRO Cn1ccnc1Sc1ncc(C(=O)NCC2CC[NH+](C)CC2)cc1Cl ZINC000522266207 564648920 /nfs/dbraw/zinc/64/89/20/564648920.db2.gz KLRJYLKLZARJFK-UHFFFAOYSA-N 1 0 379.917 2.691 20 0 GFADRO C[C@@H](CNC(=O)c1cc(Br)cc2ccccc21)N1CC[NH+](C)CC1 ZINC000522266366 564649119 /nfs/dbraw/zinc/64/91/19/564649119.db2.gz XRDLRGSFOJNBPO-AWEZNQCLSA-N 1 0 390.325 2.968 20 0 GFADRO C[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccc(CCn2cc(Br)cn2)cc1 ZINC000573718886 564650839 /nfs/dbraw/zinc/65/08/39/564650839.db2.gz HRIQUSCEFNSSSZ-LRDDRELGSA-N 1 0 377.286 2.825 20 0 GFADRO CCCCN(C1CC(C)(C)[NH2+]C(C)(C)C1)S(=O)(=O)CCCC(=O)OC ZINC000573791707 564653974 /nfs/dbraw/zinc/65/39/74/564653974.db2.gz DFAXQIRCJYWOAJ-UHFFFAOYSA-N 1 0 376.563 2.681 20 0 GFADRO CC(C)[C@@H](C[NH2+]Cc1cccc(I)c1)N1CCOCC1 ZINC000551573864 564655181 /nfs/dbraw/zinc/65/51/81/564655181.db2.gz GWPPFCIXFHRYTB-MRXNPFEDSA-N 1 0 388.293 2.738 20 0 GFADRO C[N@@H+]1CC[C@H]2CCN(S(=O)(=O)c3ccc(Br)c(Cl)c3)[C@H]2C1 ZINC000486654138 564661271 /nfs/dbraw/zinc/66/12/71/564661271.db2.gz GAKKBGLJKAYNCZ-HZMBPMFUSA-N 1 0 393.734 2.817 20 0 GFADRO CC(C)COC[C@H](O)C[NH2+][C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000573957496 564661875 /nfs/dbraw/zinc/66/18/75/564661875.db2.gz ZALYTHOVCHDBJH-CJNGLKHVSA-N 1 0 375.296 2.722 20 0 GFADRO Cc1ccc(Cl)cc1S(=O)(=O)N(CC[NH+](C)C)CC(=O)OC(C)(C)C ZINC000523377659 564665485 /nfs/dbraw/zinc/66/54/85/564665485.db2.gz VSZJCCGGZUQTRU-UHFFFAOYSA-N 1 0 390.933 2.542 20 0 GFADRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1ccn(-c2ccc(Br)cc2)n1 ZINC000551823528 564665622 /nfs/dbraw/zinc/66/56/22/564665622.db2.gz JNGKMNPEIIYDHS-SJCJKPOMSA-N 1 0 389.297 2.847 20 0 GFADRO CCC[NH+]1CCN(C(=O)[C@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)CC1 ZINC000486775660 564666349 /nfs/dbraw/zinc/66/63/49/564666349.db2.gz FFMNSFIZZYZOCM-CQSZACIVSA-N 1 0 384.307 2.901 20 0 GFADRO CCO[C@@H](CC)C(=O)Nc1cc(Br)ccc1N1CC[NH+](C)CC1 ZINC000574050291 564666341 /nfs/dbraw/zinc/66/63/41/564666341.db2.gz DPRRDTMSMJIVCO-INIZCTEOSA-N 1 0 384.318 2.955 20 0 GFADRO Cc1cc(Br)ccc1SCC(=O)NCCN1CCO[C@@H](C)C1 ZINC000523435451 564667151 /nfs/dbraw/zinc/66/71/51/564667151.db2.gz HGTBIBKUQFWYLP-ZDUSSCGKSA-N 1 0 387.343 2.687 20 0 GFADRO C[C@@H](NC(=O)NC[C@@H]1CCC[N@@H+]1CCCO)c1cccc(Br)c1 ZINC000457658935 564668482 /nfs/dbraw/zinc/66/84/82/564668482.db2.gz FCMSTQRZFWFVHC-CJNGLKHVSA-N 1 0 384.318 2.656 20 0 GFADRO CN(C(=O)c1cc(=O)c2cc(Br)ccc2[nH]1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000523649927 564669861 /nfs/dbraw/zinc/66/98/61/564669861.db2.gz WFHOBLBJQUXKJL-ZDUSSCGKSA-N 1 0 390.281 2.599 20 0 GFADRO CCOc1ccc(C[NH2+]CCNS(=O)(=O)c2cccc(Cl)c2)cc1F ZINC000486933577 564671163 /nfs/dbraw/zinc/67/11/63/564671163.db2.gz FKCWITZNSSIICB-UHFFFAOYSA-N 1 0 386.876 2.946 20 0 GFADRO O=S(=O)(c1cccs1)N1CC[C@@H](C[NH2+]Cc2scnc2C2CC2)C1 ZINC000552016859 564673164 /nfs/dbraw/zinc/67/31/64/564673164.db2.gz UZHQIGBMZLUMOI-LBPRGKRZSA-N 1 0 383.564 2.882 20 0 GFADRO O=S(=O)(NCC[NH2+]Cc1ccc2[nH]cnc2c1)c1cccc(Cl)c1Cl ZINC000552020502 564673874 /nfs/dbraw/zinc/67/38/74/564673874.db2.gz ZJRNNMFUCPJNBX-UHFFFAOYSA-N 1 0 399.303 2.938 20 0 GFADRO C[N@@H+]1CCCC[C@@H]1CN1CCN(CCOc2ccc(Br)cc2)CC1 ZINC000523857864 564673905 /nfs/dbraw/zinc/67/39/05/564673905.db2.gz CMESKHXNIPQMEU-GOSISDBHSA-N 1 0 396.373 2.930 20 0 GFADRO COc1c(Cl)cc(NC(=O)C(=O)NCC[NH+]2CCCCCC2)cc1Cl ZINC000523921099 564674524 /nfs/dbraw/zinc/67/45/24/564674524.db2.gz VJJLTTQLEDGNQR-UHFFFAOYSA-N 1 0 388.295 2.933 20 0 GFADRO Cc1ccc(S(=O)(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)cc1Br ZINC000487136078 564677368 /nfs/dbraw/zinc/67/73/68/564677368.db2.gz JQZHRKSUGCHHPF-OLZOCXBDSA-N 1 0 375.332 2.909 20 0 GFADRO CC[C@@H]1CN(CC[NH2+]Cc2cc(OC)c(OC)cc2Br)CCO1 ZINC000487185129 564678014 /nfs/dbraw/zinc/67/80/14/564678014.db2.gz HYZVJQHNVPXEED-CQSZACIVSA-N 1 0 387.318 2.667 20 0 GFADRO CSc1cc(C(=O)NCC2(SC)CC[NH+](C)CC2)ccc1NC(C)=O ZINC000574562410 564678733 /nfs/dbraw/zinc/67/87/33/564678733.db2.gz BKWALQQZKFVPQT-UHFFFAOYSA-N 1 0 381.567 2.924 20 0 GFADRO CC[C@H]1C[N@H+](CC)CCN1C(=O)NCc1cn2cc(Br)ccc2n1 ZINC000457961017 564681359 /nfs/dbraw/zinc/68/13/59/564681359.db2.gz YSPRTFRASGXOSA-HNNXBMFYSA-N 1 0 394.317 2.723 20 0 GFADRO Cn1ncc(Br)c1C[NH2+]CCC1CCN(CC(F)(F)F)CC1 ZINC000487288200 564681647 /nfs/dbraw/zinc/68/16/47/564681647.db2.gz LVPGFGDHFXDLQB-UHFFFAOYSA-N 1 0 383.256 2.937 20 0 GFADRO COCCN(CC[NH+](C)C)C(=O)NCCOc1cccc(Cl)c1Cl ZINC000524598237 564683413 /nfs/dbraw/zinc/68/34/13/564683413.db2.gz MRUFHPRYWCWNCT-UHFFFAOYSA-N 1 0 378.300 2.592 20 0 GFADRO Cc1[nH]c(=O)c(Br)cc1C(=O)NCC[N@@H+](C)Cc1ccc(F)cc1 ZINC000552260705 564683694 /nfs/dbraw/zinc/68/36/94/564683694.db2.gz NZPLDMHRKJPHIT-UHFFFAOYSA-N 1 0 396.260 2.859 20 0 GFADRO COCC[N@@H+]1CC[C@@H](NC(=O)Cc2csc(-c3ccc(Cl)s3)n2)C1 ZINC000524608737 564683758 /nfs/dbraw/zinc/68/37/58/564683758.db2.gz OKVVACQNMDIMMD-LLVKDONJSA-N 1 0 385.942 2.904 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)c(C)c1C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000574692506 564684365 /nfs/dbraw/zinc/68/43/65/564684365.db2.gz RSZWXJWQKLZPES-CQSZACIVSA-N 1 0 377.286 2.733 20 0 GFADRO CC1CC[NH+](C[C@@H](O)CNC(=O)NCCc2cc(Cl)cc(Cl)c2)CC1 ZINC000524619223 564684916 /nfs/dbraw/zinc/68/49/16/564684916.db2.gz OJNLZIKPFLFMDC-KRWDZBQOSA-N 1 0 388.339 2.928 20 0 GFADRO C[C@H]1CC[N@H+](CCNC(=O)C2CCN(C(=O)c3ccc(Cl)s3)CC2)C1 ZINC000524719994 564686177 /nfs/dbraw/zinc/68/61/77/564686177.db2.gz SZKJAFOQTKWWKE-ZDUSSCGKSA-N 1 0 383.945 2.712 20 0 GFADRO C[C@H]1CC[N@H+](CCNC(=O)c2ccc(I)c(F)c2)C1 ZINC000524720433 564686636 /nfs/dbraw/zinc/68/66/36/564686636.db2.gz QDAANKCUWKLGRB-JTQLQIEISA-N 1 0 376.213 2.502 20 0 GFADRO C[C@@H]1CC[N@H+](CCNS(=O)(=O)c2cc(Br)ccc2Cl)C1 ZINC000524790630 564688088 /nfs/dbraw/zinc/68/80/88/564688088.db2.gz GFOZTJSWQHDGMU-SNVBAGLBSA-N 1 0 381.723 2.723 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2cc3c(cc2Cl)OCCO3)C[C@H]1C ZINC000524872068 564689481 /nfs/dbraw/zinc/68/94/81/564689481.db2.gz OEYIWUXMWCOYEO-CHWSQXEVSA-N 1 0 388.917 2.605 20 0 GFADRO C[N@@H+]1CCC[C@@H](CCNC(=O)c2cc(I)ccc2F)C1 ZINC000458171858 564692915 /nfs/dbraw/zinc/69/29/15/564692915.db2.gz BBHOGJSNNVEINI-NSHDSACASA-N 1 0 390.240 2.892 20 0 GFADRO CC[N@H+](CCNC(=O)NCc1nc2c(cccc2Br)[nH]1)C1CC1 ZINC000458195042 564693410 /nfs/dbraw/zinc/69/34/10/564693410.db2.gz KTKUBTCQZJLMQV-UHFFFAOYSA-N 1 0 380.290 2.609 20 0 GFADRO CCn1c(CNC(=O)[C@H]2C[N@H+](C)C[C@H]2C)nc2cc(Br)ccc21 ZINC000487710246 564694473 /nfs/dbraw/zinc/69/44/73/564694473.db2.gz QWPUPZCGWMXWFY-YPMHNXCESA-N 1 0 379.302 2.633 20 0 GFADRO C[N@@H+]1CCC[C@H](CCNC(=O)Cc2ccccc2I)C1 ZINC000458238054 564695260 /nfs/dbraw/zinc/69/52/60/564695260.db2.gz ZKMYDHOEODKNRH-CYBMUJFWSA-N 1 0 386.277 2.682 20 0 GFADRO CCCN(C(=O)Cc1cc2c(cc1Br)OCCO2)C1CC[NH2+]CC1 ZINC000575312989 564695408 /nfs/dbraw/zinc/69/54/08/564695408.db2.gz QQEJXPUMAXYTBU-UHFFFAOYSA-N 1 0 397.313 2.753 20 0 GFADRO O=C(N[C@H]1CCc2c1cccc2Br)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000458241975 564695419 /nfs/dbraw/zinc/69/54/19/564695419.db2.gz ASOGMJXRVXCKEQ-GUYCJALGSA-N 1 0 396.329 2.582 20 0 GFADRO Cn1cc(Br)cc1C(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000525207308 564695887 /nfs/dbraw/zinc/69/58/87/564695887.db2.gz QTCCSDCFICUTOQ-UHFFFAOYSA-N 1 0 376.298 2.617 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2cc(Cl)ccc2C(=O)OC)C[C@@H]1C ZINC000525385735 564700084 /nfs/dbraw/zinc/70/00/84/564700084.db2.gz IVXCRLGNIVQNTH-GXTWGEPZSA-N 1 0 388.917 2.620 20 0 GFADRO CC[C@H](NC(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1)[C@H](O)C(F)F ZINC000458446279 564702536 /nfs/dbraw/zinc/70/25/36/564702536.db2.gz ZTTMYRPZKNWSDF-JURCDPSOSA-N 1 0 375.485 2.835 20 0 GFADRO CC[NH+]1CCN([C@H](C)CNc2ccc(Br)c(C(F)(F)F)n2)CC1 ZINC000552940750 564705318 /nfs/dbraw/zinc/70/53/18/564705318.db2.gz IPCFVYBVRXFTBU-LLVKDONJSA-N 1 0 395.267 3.301 20 0 GFADRO OCC[N@@H+](Cc1cccc(Br)c1)C[C@H](O)COc1ccccc1F ZINC000488186015 564706017 /nfs/dbraw/zinc/70/60/17/564706017.db2.gz LCSCFANHAIHPJU-INIZCTEOSA-N 1 0 398.272 2.822 20 0 GFADRO [NH3+][C@H](CNC(=O)N1CCC[C@H](Nc2cccc(Br)c2)C1)C1CC1 ZINC000576212154 564707729 /nfs/dbraw/zinc/70/77/29/564707729.db2.gz ATIIRVYGFDWSGZ-JKSUJKDBSA-N 1 0 381.318 2.772 20 0 GFADRO CC[NH+](CC)CC1CCN(CC(=O)Nc2ccc(Br)cn2)CC1 ZINC000488320672 564708891 /nfs/dbraw/zinc/70/88/91/564708891.db2.gz FSJNQAZMKTWYDA-UHFFFAOYSA-N 1 0 383.334 2.836 20 0 GFADRO CC[C@@H](NC(=O)NCCc1cn2cc(Br)cc(C)c2n1)C(C)(C)O ZINC000458643929 564709606 /nfs/dbraw/zinc/70/96/06/564709606.db2.gz CVHMQTSUVABFFJ-CQSZACIVSA-N 1 0 397.317 2.796 20 0 GFADRO COc1cc(C(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)cc(OC)c1Br ZINC000576270814 564709864 /nfs/dbraw/zinc/70/98/64/564709864.db2.gz HXRKFNSOHNMUKL-KRWDZBQOSA-N 1 0 383.286 2.682 20 0 GFADRO CC[N@H+](CCNC(=O)Cc1cc2c(cc1Br)OCCO2)C(C)C ZINC000525885357 564711822 /nfs/dbraw/zinc/71/18/22/564711822.db2.gz IQQXTMBPLYKCCF-UHFFFAOYSA-N 1 0 385.302 2.609 20 0 GFADRO C[C@H](CNC(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1)c1c(Cl)cccc1Cl ZINC000553207173 564712306 /nfs/dbraw/zinc/71/23/06/564712306.db2.gz WLKQPRMXQVPJGI-OLZOCXBDSA-N 1 0 386.323 2.766 20 0 GFADRO OC[C@@H](C[NH2+]Cc1cc(Br)c2c(c1)OCCCO2)c1cccnc1 ZINC000576353764 564712880 /nfs/dbraw/zinc/71/28/80/564712880.db2.gz KGQCFJJHYROYIQ-OAHLLOKOSA-N 1 0 393.281 2.871 20 0 GFADRO O=C(NC[C@H]1CCC[N@H+]1CCCO)N[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000458718809 564714470 /nfs/dbraw/zinc/71/44/70/564714470.db2.gz BUBIGWOHDUZPAY-JKIFEVAISA-N 1 0 386.323 2.995 20 0 GFADRO O=C(N[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000458742339 564716047 /nfs/dbraw/zinc/71/60/47/564716047.db2.gz SWYLTRMTHBBFHH-UKPHBRMFSA-N 1 0 386.323 2.995 20 0 GFADRO CC[C@H]1C[N@H+](CC)CCN1C(=O)NCCCCn1cc(Br)cn1 ZINC000458755719 564717005 /nfs/dbraw/zinc/71/70/05/564717005.db2.gz WMMBCJFOUQXIQF-HNNXBMFYSA-N 1 0 386.338 2.552 20 0 GFADRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(c2ncc(I)cn2)C1 ZINC000576798904 564719146 /nfs/dbraw/zinc/71/91/46/564719146.db2.gz SSTUUPPDBBAYMX-YRGRVCCFSA-N 1 0 386.281 2.923 20 0 GFADRO C[C@@H]1C[C@H]1[N@@H+]1CCN(c2cc(Br)cc(F)c2C(N)=O)C[C@@H](C)C1 ZINC000488736868 564719221 /nfs/dbraw/zinc/71/92/21/564719221.db2.gz QMQYHYYYZFOPAY-MISXGVKJSA-N 1 0 384.293 2.854 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@@H](NS(=O)(=O)Cc2cccc(Br)c2)C1 ZINC000553430777 564720663 /nfs/dbraw/zinc/72/06/63/564720663.db2.gz LNOZZQMWRDNQFX-HUUCEWRRSA-N 1 0 375.332 2.741 20 0 GFADRO COc1ccc(Br)cc1S(=O)(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000576942783 564721503 /nfs/dbraw/zinc/72/15/03/564721503.db2.gz KCXLQPCYFJMELW-HAQNSBGRSA-N 1 0 391.331 2.501 20 0 GFADRO COc1nnc(NC(=O)NC[C@@H](c2cccs2)[NH+]2CCC(C)CC2)s1 ZINC000577044588 564723668 /nfs/dbraw/zinc/72/36/68/564723668.db2.gz KHYDGSINCBCHBZ-LBPRGKRZSA-N 1 0 381.527 3.203 20 0 GFADRO Cc1nc(CNC(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)sc1Br ZINC000458926478 564724078 /nfs/dbraw/zinc/72/40/78/564724078.db2.gz LMVWADYPWDAGCI-LLVKDONJSA-N 1 0 375.336 2.697 20 0 GFADRO O=C(NCC[N@H+]1CC=CCC1)[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000527018829 564726187 /nfs/dbraw/zinc/72/61/87/564726187.db2.gz QMVFDGZSXZQBEF-AWEZNQCLSA-N 1 0 382.291 2.724 20 0 GFADRO C[C@@H](CCc1ccc(I)cc1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC000527019969 564726368 /nfs/dbraw/zinc/72/63/68/564726368.db2.gz SOHSZTCDLYUNOS-JSGCOSHPSA-N 1 0 386.277 2.680 20 0 GFADRO COCCSCCC[N@H+](C)[C@@H](C)c1cccc(N2CCCS2(=O)=O)c1 ZINC000488989670 564726539 /nfs/dbraw/zinc/72/65/39/564726539.db2.gz WVHRTJISXLVQTA-INIZCTEOSA-N 1 0 386.583 2.989 20 0 GFADRO C[C@@H]1CC[S@](=O)CCN1C(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000577170194 564727193 /nfs/dbraw/zinc/72/71/93/564727193.db2.gz WLTJONPJCCRRFH-HNAZGGCASA-N 1 0 383.583 2.684 20 0 GFADRO CN(C(=O)NCc1nn(C)cc1Cl)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000458992132 564728579 /nfs/dbraw/zinc/72/85/79/564728579.db2.gz USSRNOONLFZFCN-UHFFFAOYSA-N 1 0 381.830 2.632 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(C(=O)N[C@H]3CCc4c3ccc(F)c4Br)C[C@@H]21 ZINC000459038578 564729468 /nfs/dbraw/zinc/72/94/68/564729468.db2.gz HAHSJYCCBINGLW-ONERCXAPSA-N 1 0 382.277 2.921 20 0 GFADRO C[C@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1cccc(OC(F)(F)F)c1F ZINC000489135185 564731289 /nfs/dbraw/zinc/73/12/89/564731289.db2.gz VXWFLTQQHAYFEN-NSHDSACASA-N 1 0 384.395 2.877 20 0 GFADRO C[NH+](C)CCOC1CCN(C(=O)NCCc2cccc(Br)c2)CC1 ZINC000459153616 564733388 /nfs/dbraw/zinc/73/33/88/564733388.db2.gz SDMYGHMGHUEVSY-UHFFFAOYSA-N 1 0 398.345 2.744 20 0 GFADRO O=C(C1CC[NH+]([C@@H]2CCSC2)CC1)N1CCSC[C@@H]1c1nccs1 ZINC000577529896 564736030 /nfs/dbraw/zinc/73/60/30/564736030.db2.gz ZZTHDEMGKUKALW-HUUCEWRRSA-N 1 0 383.608 2.977 20 0 GFADRO CC[C@H](CNC(=O)[C@H]1C[N@@H+]2CCN1CCC2)Cc1cccc(Br)c1 ZINC000489354090 564736850 /nfs/dbraw/zinc/73/68/50/564736850.db2.gz HMKKZPNLAFNFHJ-MAUKXSAKSA-N 1 0 394.357 2.524 20 0 GFADRO C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000553796353 564736914 /nfs/dbraw/zinc/73/69/14/564736914.db2.gz NSYLLWQXSLYILX-XIKOKIGWSA-N 1 0 384.307 2.666 20 0 GFADRO COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)NC[C@H](C)[NH+]1CCCC1 ZINC000527293644 564737081 /nfs/dbraw/zinc/73/70/81/564737081.db2.gz BTGMNBFRNFOSFO-UONOGXRCSA-N 1 0 390.933 2.516 20 0 GFADRO CC[N@@H+]1C[C@H](C)N(C(=O)NCc2nc3c(cccc3Br)[nH]2)C[C@H]1C ZINC000459226449 564737898 /nfs/dbraw/zinc/73/78/98/564737898.db2.gz YLANLZDYFANUOF-NEPJUHHUSA-N 1 0 394.317 2.950 20 0 GFADRO O=C(c1cc(Cl)cc(Cl)c1)N1CCN(C(=O)[C@@H]2CCCCC[NH2+]2)CC1 ZINC000577871646 564738427 /nfs/dbraw/zinc/73/84/27/564738427.db2.gz WZTIFXBFXVETGK-INIZCTEOSA-N 1 0 384.307 2.810 20 0 GFADRO COCC[N@H+](C[C@H](O)COc1c(Cl)cccc1Cl)[C@@H]1CCO[C@H]1C ZINC000489403276 564739010 /nfs/dbraw/zinc/73/90/10/564739010.db2.gz KWBVZRHUQRYHBC-HEHGZKQESA-N 1 0 378.296 2.859 20 0 GFADRO CSc1ccccc1C[C@@H](C)[NH2+]C[C@H]1CCCCN1S(=O)(=O)N(C)C ZINC000578059330 564739974 /nfs/dbraw/zinc/73/99/74/564739974.db2.gz KDKRRGAKFNQQLI-NVXWUHKLSA-N 1 0 385.599 2.590 20 0 GFADRO CCO[C@@H]1C[C@H]([NH2+]CCCN(CC)S(C)(=O)=O)[C@H]1Sc1ccccc1 ZINC000459379127 564742327 /nfs/dbraw/zinc/74/23/27/564742327.db2.gz XIFWPBNZCRTSCD-RCCFBDPRSA-N 1 0 386.583 2.586 20 0 GFADRO CC1=CCC[C@@H](C)[C@@H]1C[NH2+]Cc1ccc(S(=O)(=O)N2CCOCC2)s1 ZINC000527494965 564744094 /nfs/dbraw/zinc/74/40/94/564744094.db2.gz UAGMSAKSGCSRAG-NVXWUHKLSA-N 1 0 384.567 2.851 20 0 GFADRO CCC[C@H]1C[NH2+]CCN1Cc1csc(-c2ccc(S(C)(=O)=O)cc2)n1 ZINC000579479395 564747991 /nfs/dbraw/zinc/74/79/91/564747991.db2.gz XJHKAJXIUDFOBG-INIZCTEOSA-N 1 0 379.551 2.788 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)c2cc(-c3ccc(Cl)s3)on2)CC12CCOCC2 ZINC000579472842 564748386 /nfs/dbraw/zinc/74/83/86/564748386.db2.gz RVOKWHCQHGEHJF-LLVKDONJSA-N 1 0 381.885 2.884 20 0 GFADRO CN(CCOc1ccc(Br)cc1)C(=O)C[N@@H+]1CCC[C@H]1C(C)(C)O ZINC000489679818 564748383 /nfs/dbraw/zinc/74/83/83/564748383.db2.gz QBQFUJZTHZQREP-INIZCTEOSA-N 1 0 399.329 2.522 20 0 GFADRO CC(C)[N@@H+]1CCC[C@H](NS(=O)(=O)c2cccc(OC(F)(F)F)c2F)C1 ZINC000489673214 564748574 /nfs/dbraw/zinc/74/85/74/564748574.db2.gz XCKBMFAHZYAQFR-NSHDSACASA-N 1 0 384.395 2.875 20 0 GFADRO CCOc1cc(C[N@H+](C)[C@@H](CO)COC(C)C)cc(Br)c1O ZINC000459549596 564750673 /nfs/dbraw/zinc/75/06/73/564750673.db2.gz FAMHSQXTIOZWAZ-ZDUSSCGKSA-N 1 0 376.291 2.771 20 0 GFADRO C[NH+]1CCC([C@@H]2CCN(C(=O)Cc3ccc(Br)cc3O)C2)CC1 ZINC000489734849 564750751 /nfs/dbraw/zinc/75/07/51/564750751.db2.gz ABGYJTKGWSTBNT-OAHLLOKOSA-N 1 0 381.314 2.888 20 0 GFADRO COCc1cc(C[NH2+]C[C@@H](CO)Cc2ccc(OC)c(Br)c2)no1 ZINC000459571380 564751376 /nfs/dbraw/zinc/75/13/76/564751376.db2.gz NWAWUSJNIZTHEG-ZDUSSCGKSA-N 1 0 399.285 2.533 20 0 GFADRO Cc1ccc(C[C@@H](CO)C[NH2+]Cc2cn3cccnc3n2)cc1Br ZINC000459570972 564751704 /nfs/dbraw/zinc/75/17/04/564751704.db2.gz NIBIEYKEWYSLEY-OAHLLOKOSA-N 1 0 389.297 2.741 20 0 GFADRO Cc1cc(Br)c(CN[C@H]2CCS(=O)(=O)C2)cc1Br ZINC000527632771 564751957 /nfs/dbraw/zinc/75/19/57/564751957.db2.gz WDNMBXJFCGTHAW-JTQLQIEISA-N 1 0 397.132 2.797 20 0 GFADRO Cc1cccc(I)c1C(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000554142241 564752315 /nfs/dbraw/zinc/75/23/15/564752315.db2.gz QUUYLCSPTUAPMR-MRXNPFEDSA-N 1 0 384.261 2.767 20 0 GFADRO C[C@@H]1C[C@H]1N1C[C@H]([NH2+]Cc2c[nH]nc2-c2ccc(Br)s2)CC1=O ZINC000527665672 564754057 /nfs/dbraw/zinc/75/40/57/564754057.db2.gz HPKITGMRLSYXFQ-YUSALJHKSA-N 1 0 395.326 3.000 20 0 GFADRO O[C@@H](C[NH2+]Cc1c[nH]nc1-c1ccc(Br)s1)C1CCOCC1 ZINC000527664615 564754476 /nfs/dbraw/zinc/75/44/76/564754476.db2.gz NEXNOIZXYZWWEH-LBPRGKRZSA-N 1 0 386.315 2.778 20 0 GFADRO COc1cc(C[NH2+]C[C@@H]2CCC[C@H]2NS(C)(=O)=O)cc(C(F)(F)F)c1 ZINC000527677116 564755386 /nfs/dbraw/zinc/75/53/86/564755386.db2.gz YBQCLXPXIUNYJD-SWLSCSKDSA-N 1 0 380.432 2.522 20 0 GFADRO Cc1csc(C(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)c1I ZINC000580304584 564755569 /nfs/dbraw/zinc/75/55/69/564755569.db2.gz LRWSJWJLPCVCSV-NXEZZACHSA-N 1 0 378.279 2.908 20 0 GFADRO CNC(=O)[C@H](CCSC)[NH2+][C@H](C)CC(=O)N(C)Cc1cccc(Cl)c1 ZINC000489887951 564756195 /nfs/dbraw/zinc/75/61/95/564756195.db2.gz WRWAOBGHTWTDEA-CJNGLKHVSA-N 1 0 385.961 2.534 20 0 GFADRO COC(=O)c1cc(C[NH2+]C[C@@H](CO)Cc2cc(F)cc(Br)c2)c[nH]1 ZINC000459693109 564756340 /nfs/dbraw/zinc/75/63/40/564756340.db2.gz HNWYVOCEDMDRMB-ZDUSSCGKSA-N 1 0 399.260 2.644 20 0 GFADRO OC[C@@H](C[NH2+]Cc1cn2cccnc2n1)Cc1cc(F)cc(Br)c1 ZINC000459684715 564756918 /nfs/dbraw/zinc/75/69/18/564756918.db2.gz AJUNPDWKWVCUPN-CYBMUJFWSA-N 1 0 393.260 2.572 20 0 GFADRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)NC(C)(C)COc1ncc(Cl)cc1Cl ZINC000580413439 564757307 /nfs/dbraw/zinc/75/73/07/564757307.db2.gz YPKIFESESJSQRS-GXFFZTMASA-N 1 0 375.300 2.843 20 0 GFADRO C[C@H](N1CCN(C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)CC1)C(F)(F)F ZINC000489906182 564757363 /nfs/dbraw/zinc/75/73/63/564757363.db2.gz BNPOQBQUCWKOAE-JSGCOSHPSA-N 1 0 378.464 2.629 20 0 GFADRO C[C@@H]1C[C@@H]([NH2+]C[C@H](CO)Cc2cc(F)cc(Br)c2)CN1C1CC1 ZINC000459710926 564758714 /nfs/dbraw/zinc/75/87/14/564758714.db2.gz UYKCNYOIWKDQKX-SUYBPPKGSA-N 1 0 385.321 2.954 20 0 GFADRO Fc1ccc(C[NH2+]CC2(N3CCOCC3)CCOCC2)c(Br)c1 ZINC000459711488 564758893 /nfs/dbraw/zinc/75/88/93/564758893.db2.gz MVPJRQPMZHDQMJ-UHFFFAOYSA-N 1 0 387.293 2.559 20 0 GFADRO O=S(=O)(c1cc(Br)ccc1Cl)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000490002609 564759500 /nfs/dbraw/zinc/75/95/00/564759500.db2.gz GUBABRDRWVPZNE-AWEZNQCLSA-N 1 0 393.734 2.867 20 0 GFADRO CO[C@H]1C[C@@H]([NH2+]CC(=O)N(C)Cc2ccccc2Br)C12CCC2 ZINC000459748053 564759658 /nfs/dbraw/zinc/75/96/58/564759658.db2.gz JOTJIYMKLWVWDC-CVEARBPZSA-N 1 0 381.314 2.955 20 0 GFADRO NS(=O)(=O)C[C@@H]1CCC[N@@H+]1CCSc1ccnc2cc(Cl)ccc21 ZINC000490008105 564760592 /nfs/dbraw/zinc/76/05/92/564760592.db2.gz YQCPFQXSNOUXBF-ZDUSSCGKSA-N 1 0 385.942 2.733 20 0 GFADRO C[C@@H]([NH2+]C[C@H](O)COc1ccc(Cl)cc1Br)c1ccn(C)n1 ZINC000459772669 564760804 /nfs/dbraw/zinc/76/08/04/564760804.db2.gz BYOCUUHXDDYRCL-PWSUYJOCSA-N 1 0 388.693 2.927 20 0 GFADRO C[C@H](NCC(=O)NC1CC[NH+](C2CC2)CC1)c1nc(C(F)(F)F)cs1 ZINC000490038546 564761214 /nfs/dbraw/zinc/76/12/14/564761214.db2.gz HZYYXFXFVAZDAW-JTQLQIEISA-N 1 0 376.448 2.556 20 0 GFADRO COCC[N@H+](CCC(=O)Nc1ccc(Br)cc1F)[C@H]1CCOC1 ZINC000490064767 564762067 /nfs/dbraw/zinc/76/20/67/564762067.db2.gz URMFXFLRKUBLDC-ZDUSSCGKSA-N 1 0 389.265 2.654 20 0 GFADRO COc1cc(Cl)c(S(=O)(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)cc1Cl ZINC000490069749 564762242 /nfs/dbraw/zinc/76/22/42/564762242.db2.gz YGKIHNSXSIUCKR-HNNXBMFYSA-N 1 0 379.309 2.766 20 0 GFADRO O=C(Nc1ccn(-c2ccc(Br)cc2)n1)C12CCC[NH+]1CCC2 ZINC000554513338 564762946 /nfs/dbraw/zinc/76/29/46/564762946.db2.gz ISLRTONMXKTDPE-UHFFFAOYSA-N 1 0 375.270 3.202 20 0 GFADRO C[C@@H](NC(=O)C(=O)N1CC[C@]2(C1)CCC[NH2+]C2)c1cc(Cl)ccc1Cl ZINC000580541079 564762945 /nfs/dbraw/zinc/76/29/45/564762945.db2.gz STCRLWRDMLRVBJ-KZULUSFZSA-N 1 0 384.307 2.773 20 0 GFADRO O=C(NC[C@H]1[NH2+]CCc2ccccc21)[C@@H]1COc2ccc(Br)cc21 ZINC000580542707 564763232 /nfs/dbraw/zinc/76/32/32/564763232.db2.gz PIKHGBKERUVEAV-IAGOWNOFSA-N 1 0 387.277 2.928 20 0 GFADRO Cc1sc(C(=O)Nc2ncc(C3CC[NH2+]CC3)s2)cc1CS(C)(=O)=O ZINC000580560630 564764055 /nfs/dbraw/zinc/76/40/55/564764055.db2.gz PXEHFVUFTPTEOW-UHFFFAOYSA-N 1 0 399.563 2.777 20 0 GFADRO CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N(C)Cc2cc(Cl)cc(Cl)c2)C1 ZINC000459920211 564765351 /nfs/dbraw/zinc/76/53/51/564765351.db2.gz NBFRMNPBLHXLQM-INIZCTEOSA-N 1 0 386.323 2.895 20 0 GFADRO C[C@H](NC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1)c1cc(F)c(Cl)cc1Cl ZINC000580577071 564765880 /nfs/dbraw/zinc/76/58/80/564765880.db2.gz HFPNZZCLHKRPFE-GARJFASQSA-N 1 0 390.286 2.909 20 0 GFADRO Cc1ccc(I)c(C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@H]32)c1 ZINC000490303134 564768434 /nfs/dbraw/zinc/76/84/34/564768434.db2.gz ZWPBKVZVGIDMJT-SWLSCSKDSA-N 1 0 384.261 2.766 20 0 GFADRO COc1ccc(Cl)cc1CS(=O)(=O)N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC000490448601 564771584 /nfs/dbraw/zinc/77/15/84/564771584.db2.gz WSLJUFULXFPKJY-AWEZNQCLSA-N 1 0 386.945 2.985 20 0 GFADRO CS[C@@H]1CN([C@@H]2CCN(c3cccc(Cl)c3)C2=O)C[C@@H]1[NH+]1CCCC1 ZINC000460349997 564774192 /nfs/dbraw/zinc/77/41/92/564774192.db2.gz JIDPSFNZBHZMAT-FGTMMUONSA-N 1 0 379.957 2.957 20 0 GFADRO Nc1nccc([C@@H]2CCC[N@H+](CCOc3ccc(Br)cc3)C2)n1 ZINC000554840420 564774456 /nfs/dbraw/zinc/77/44/56/564774456.db2.gz VQYHZMVYVHPVMV-CYBMUJFWSA-N 1 0 377.286 3.080 20 0 GFADRO CN1CCN(C(=O)CC[N@H+](C)Cc2ccc(Br)cc2Cl)CC1 ZINC000554847384 564774504 /nfs/dbraw/zinc/77/45/04/564774504.db2.gz BYHHUAWXESJBQC-UHFFFAOYSA-N 1 0 388.737 2.698 20 0 GFADRO COc1ccc(Br)cc1C(=O)N1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000580827949 564775780 /nfs/dbraw/zinc/77/57/80/564775780.db2.gz JCYMCOHWPCZMJO-WBVHZDCISA-N 1 0 397.313 2.816 20 0 GFADRO Cc1cc(S(=O)(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)c(C)cc1Br ZINC000490532029 564775913 /nfs/dbraw/zinc/77/59/13/564775913.db2.gz UMUJYKQHVPNNBN-MRXNPFEDSA-N 1 0 387.343 2.782 20 0 GFADRO Cc1nc(CSc2ccccc2C(=O)N2CCCO[C@H](C[NH3+])C2)cs1 ZINC000580837271 564776568 /nfs/dbraw/zinc/77/65/68/564776568.db2.gz RQAOLZVMLKFXTE-OAHLLOKOSA-N 1 0 377.535 2.934 20 0 GFADRO Cc1cc(Br)cc(C)c1S(=O)(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000490579510 564777288 /nfs/dbraw/zinc/77/72/88/564777288.db2.gz LRPQDGUYVMALIP-INIZCTEOSA-N 1 0 387.343 2.782 20 0 GFADRO CO[C@H]1C[C@H]2C[C@H]([NH2+]CCNC(=O)c3ccc(Br)cc3)C[C@H]2C1 ZINC000580887430 564778122 /nfs/dbraw/zinc/77/81/22/564778122.db2.gz WRQRZOWCVFHSPC-LOXOPEBLSA-N 1 0 381.314 2.972 20 0 GFADRO C[N@@H+](Cc1ccc(Br)c2cccnc12)C[C@H]1CCS(=O)(=O)C1 ZINC000490595351 564778283 /nfs/dbraw/zinc/77/82/83/564778283.db2.gz CRRPLJYZERIBAP-GFCCVEGCSA-N 1 0 383.311 2.864 20 0 GFADRO CC[NH+](CC)CCS(=O)(=O)N[C@@H]1CCCc2cc(OC(F)F)ccc21 ZINC000554957082 564779259 /nfs/dbraw/zinc/77/92/59/564779259.db2.gz VSDUQVPKLDMWCI-MRXNPFEDSA-N 1 0 376.469 2.927 20 0 GFADRO C[NH+]1CCN(c2ccc(Br)cc2NC(=O)[C@H]2C[C@@]23CCOC3)CC1 ZINC000460752979 564779846 /nfs/dbraw/zinc/77/98/46/564779846.db2.gz BVFGIEKUOKDWNF-RDTXWAMCSA-N 1 0 394.313 2.566 20 0 GFADRO [NH3+]C[C@H]1c2ccccc2CCN1C(=O)COc1ccccc1Br ZINC000580953490 564780880 /nfs/dbraw/zinc/78/08/80/564780880.db2.gz KYLWSVWNFNGPPB-INIZCTEOSA-N 1 0 375.266 2.913 20 0 GFADRO O[C@H](C[NH2+]Cc1cn(-c2ccccc2Br)nn1)Cc1ccccc1 ZINC000580982320 564782179 /nfs/dbraw/zinc/78/21/79/564782179.db2.gz HORRLNZPSDECSK-INIZCTEOSA-N 1 0 387.281 2.723 20 0 GFADRO C[N@@H+]1CCC[C@H]1CNC(=O)NCCc1c[nH]c2cccc(Br)c12 ZINC000555146992 564784533 /nfs/dbraw/zinc/78/45/33/564784533.db2.gz IEDWQRMVSMGSNU-ZDUSSCGKSA-N 1 0 379.302 2.866 20 0 GFADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)Cc3cccc(C)c3Br)C2)CC1 ZINC000528455682 564786330 /nfs/dbraw/zinc/78/63/30/564786330.db2.gz JCKMGMKCCFGNMR-QGZVFWFLSA-N 1 0 394.357 2.538 20 0 GFADRO C[NH+](C)CCCNC(=O)CCc1nnc(-c2cc(F)ccc2Br)o1 ZINC000491172793 564787776 /nfs/dbraw/zinc/78/77/76/564787776.db2.gz IOLXSGXOJQNKRQ-UHFFFAOYSA-N 1 0 399.264 2.639 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cccc(Br)c1Cl ZINC000555276501 564788236 /nfs/dbraw/zinc/78/82/36/564788236.db2.gz YWMHBRPFCALTIG-JTQLQIEISA-N 1 0 388.693 2.642 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1ccc(Br)c(Cl)c1 ZINC000491211285 564788552 /nfs/dbraw/zinc/78/85/52/564788552.db2.gz CTAAMKHYWMGBRX-JTQLQIEISA-N 1 0 381.723 2.865 20 0 GFADRO CO[C@@]1(C[NH2+]C2CCN(Cc3ccccc3Br)CC2)CCOC1 ZINC000461104997 564789205 /nfs/dbraw/zinc/78/92/05/564789205.db2.gz YOPCCQWQKHAEEA-GOSISDBHSA-N 1 0 383.330 2.809 20 0 GFADRO COc1ccc(CC[NH2+]Cc2cscc2C(F)(F)F)cc1S(N)(=O)=O ZINC000581280583 564795487 /nfs/dbraw/zinc/79/54/87/564795487.db2.gz ULWSJNACEFTGTK-UHFFFAOYSA-N 1 0 394.440 2.755 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1ccc(OCC(F)(F)F)cc1 ZINC000491650442 564795562 /nfs/dbraw/zinc/79/55/62/564795562.db2.gz XTMJCICJHHRVEH-CYBMUJFWSA-N 1 0 380.432 2.780 20 0 GFADRO C[C@@H]([NH2+]CCN1C(=O)NC(C)(C)C1=O)c1cc(F)c(Br)cc1F ZINC000528632301 564797834 /nfs/dbraw/zinc/79/78/34/564797834.db2.gz GBSYWQLALUADID-MRVPVSSYSA-N 1 0 390.228 2.708 20 0 GFADRO C[C@@H](NC(=O)c1ccc(Br)s1)C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000581369246 564799202 /nfs/dbraw/zinc/79/92/02/564799202.db2.gz MZUBOQSCXVPMIN-SECBINFHSA-N 1 0 394.294 2.871 20 0 GFADRO O=C(NC[C@@H]1COCC[NH2+]1)Nc1ccc(Br)c(C(F)(F)F)c1 ZINC000528662139 564799660 /nfs/dbraw/zinc/79/96/60/564799660.db2.gz CGKYKVHUXFUCFH-SECBINFHSA-N 1 0 382.180 2.578 20 0 GFADRO COc1cc(NC(=O)N2CC[NH2+]C[C@H]2C(C)C)cc(OC)c1Br ZINC000528684070 564800291 /nfs/dbraw/zinc/80/02/91/564800291.db2.gz ATKRLCPAMYWVIK-LBPRGKRZSA-N 1 0 386.290 2.928 20 0 GFADRO C[C@@H]1CN(C(=O)c2cnc(Sc3nccn3C)c(Cl)c2)C[C@@H]1[NH+](C)C ZINC000461618612 564800278 /nfs/dbraw/zinc/80/02/78/564800278.db2.gz PGDRBVQEATZMHW-RISCZKNCSA-N 1 0 379.917 2.642 20 0 GFADRO O=C(NC[C@H]1C[NH2+]CCCO1)Nc1cc(Cl)c(Br)cc1F ZINC000528695341 564800641 /nfs/dbraw/zinc/80/06/41/564800641.db2.gz ATSXHCWAQAVRNM-MRVPVSSYSA-N 1 0 380.645 2.742 20 0 GFADRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000581419134 564801653 /nfs/dbraw/zinc/80/16/53/564801653.db2.gz GZRLHSCOEBCYFI-UHOFOFEASA-N 1 0 382.302 2.530 20 0 GFADRO C[C@H](NC(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C)c1ncc(Br)cn1 ZINC000555740812 564802964 /nfs/dbraw/zinc/80/29/64/564802964.db2.gz DKNVYJIGYXUANO-AAEUAGOBSA-N 1 0 384.322 2.720 20 0 GFADRO C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[NH2+]CC(=O)Nc1ccccc1I ZINC000528760230 564803340 /nfs/dbraw/zinc/80/33/40/564803340.db2.gz XGZBHUHCLDOPNH-KIGUWFBYSA-N 1 0 388.249 2.631 20 0 GFADRO O=C1[C@H]([NH2+]Cc2cc(Br)c3c(c2)OCCCO3)C[C@H]2CCCCN12 ZINC000581471002 564804387 /nfs/dbraw/zinc/80/43/87/564804387.db2.gz SYLFVCHYEHXWFD-UKRRQHHQSA-N 1 0 395.297 2.853 20 0 GFADRO COC(=O)[C@H](c1ccc(Cl)cc1Cl)N(C)CCC[NH+]1CCN(C)CC1 ZINC000492890884 564804647 /nfs/dbraw/zinc/80/46/47/564804647.db2.gz JAXNZDAZKGCYEF-KRWDZBQOSA-N 1 0 388.339 2.777 20 0 GFADRO CC[NH+](CC)CCCNC(=O)COc1cccc(I)c1 ZINC000493334580 564806767 /nfs/dbraw/zinc/80/67/67/564806767.db2.gz JEUTURPHCWXPDT-UHFFFAOYSA-N 1 0 390.265 2.518 20 0 GFADRO [NH3+]C[C@@H]1CN(S(=O)(=O)Cc2cc(Cl)cc(Cl)c2)CC12CCOCC2 ZINC000581607650 564809704 /nfs/dbraw/zinc/80/97/04/564809704.db2.gz NTEBBDHXDFWLKI-CYBMUJFWSA-N 1 0 393.336 2.511 20 0 GFADRO C[N@@H+]1CCN(C(=O)CCNC(=O)Nc2ccc(Br)cc2)CC1(C)C ZINC000581616867 564810662 /nfs/dbraw/zinc/81/06/62/564810662.db2.gz ATQQHBKINBVXTK-UHFFFAOYSA-N 1 0 397.317 2.513 20 0 GFADRO CN(C)[C@@H](C[NH2+][C@@H]1CCCc2cc(S(N)(=O)=O)ccc21)c1ccsc1 ZINC000556049274 564811543 /nfs/dbraw/zinc/81/15/43/564811543.db2.gz UGYFMIYRVRUUME-MSOLQXFVSA-N 1 0 379.551 2.665 20 0 GFADRO O=C(C[NH2+]C[C@@H]1CCCO1)N[C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1 ZINC000581662064 564812448 /nfs/dbraw/zinc/81/24/48/564812448.db2.gz SSWPIEQAXJRGAQ-CABCVRRESA-N 1 0 386.323 2.847 20 0 GFADRO O[C@H](C[NH2+]C1CCN(CC(F)(F)F)CC1)COCc1ccccc1Cl ZINC000581661865 564812628 /nfs/dbraw/zinc/81/26/28/564812628.db2.gz GPHCEXUPWZSURK-OAHLLOKOSA-N 1 0 380.838 2.834 20 0 GFADRO O=S(=O)(Cc1cccc(Br)c1)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000581657795 564812956 /nfs/dbraw/zinc/81/29/56/564812956.db2.gz OFOKWORLBDMQOK-DLBZAZTESA-N 1 0 395.322 2.624 20 0 GFADRO C[C@H](c1cccc(Br)c1)[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000581667368 564813055 /nfs/dbraw/zinc/81/30/55/564813055.db2.gz JJOIXBQPHGAZPT-GDBMZVCRSA-N 1 0 380.330 2.654 20 0 GFADRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(=O)NCc2c(Cl)cccc2Cl)C1 ZINC000556136473 564813337 /nfs/dbraw/zinc/81/33/37/564813337.db2.gz NHJFQBSBOBDXBV-ZDUSSCGKSA-N 1 0 386.323 2.846 20 0 GFADRO COCC[N@@H+]1CC[C@@H](NC(=O)C[C@@H](C)c2ccc(F)c(Br)c2)C1 ZINC000462052030 564813364 /nfs/dbraw/zinc/81/33/64/564813364.db2.gz IXUJFHHVEISPIM-TZMCWYRMSA-N 1 0 387.293 2.919 20 0 GFADRO CCOc1cc(C[NH2+][C@H]2C[C@H]3CCCCN3C2=O)cc(Br)c1O ZINC000581711922 564814679 /nfs/dbraw/zinc/81/46/79/564814679.db2.gz AWXXMWZSAPVMTL-OCCSQVGLSA-N 1 0 383.286 2.796 20 0 GFADRO CC1([NH+]2CCOCC2)CCN(C(=O)Nc2cncc(Br)c2)CC1 ZINC000529037040 564815615 /nfs/dbraw/zinc/81/56/15/564815615.db2.gz XQPLDLJMZSMVQA-UHFFFAOYSA-N 1 0 383.290 2.563 20 0 GFADRO CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+]CCCOc2ccc(C(F)(F)F)cn2)C1 ZINC000556240955 564815913 /nfs/dbraw/zinc/81/59/13/564815913.db2.gz HKGJTDFNMKGDFY-UONOGXRCSA-N 1 0 380.432 2.815 20 0 GFADRO C[C@@H]1CC[N@H+](CC(=O)N2CCN(C(=O)c3c(Cl)cccc3Cl)CC2)C1 ZINC000581893363 564821792 /nfs/dbraw/zinc/82/17/92/564821792.db2.gz PVACCLUQUMBICD-CYBMUJFWSA-N 1 0 384.307 2.620 20 0 GFADRO O=C(N[C@H]1CCN(c2ccccc2Br)C1)[C@H]1CCc2cncn2C1 ZINC000581946598 564823640 /nfs/dbraw/zinc/82/36/40/564823640.db2.gz VAVUXNQMDNWPOG-KBPBESRZSA-N 1 0 389.297 2.603 20 0 GFADRO COC(=O)c1cc(Br)cc(C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)c1 ZINC000462150291 564824168 /nfs/dbraw/zinc/82/41/68/564824168.db2.gz SNWFHXMGKQXNBR-LLVKDONJSA-N 1 0 385.302 2.942 20 0 GFADRO C[C@H](C[NH2+]C1CCN(Cc2cccc(C(F)(F)F)c2)CC1)S(C)(=O)=O ZINC000556420816 564825512 /nfs/dbraw/zinc/82/55/12/564825512.db2.gz BEUPRQNRGFJDGU-CYBMUJFWSA-N 1 0 378.460 2.693 20 0 GFADRO C[NH+]1CCC(CCNS(=O)(=O)c2ccc(OCC(F)(F)F)cc2)CC1 ZINC000462259805 564829040 /nfs/dbraw/zinc/82/90/40/564829040.db2.gz SWIHSKFZCVFKOK-UHFFFAOYSA-N 1 0 380.432 2.638 20 0 GFADRO CC[N@@H+]1C[C@H](C)N(C(=O)c2cc(Br)cc(C(=O)OC)c2)C[C@H]1C ZINC000462264685 564829983 /nfs/dbraw/zinc/82/99/83/564829983.db2.gz BFPKMNRDZGEBBG-NEPJUHHUSA-N 1 0 383.286 2.790 20 0 GFADRO COCC[C@H](Cc1cccc(Br)c1)C(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000556706769 564836612 /nfs/dbraw/zinc/83/66/12/564836612.db2.gz KAOLCHUJKOZIBH-ZACQAIPSSA-N 1 0 395.341 2.712 20 0 GFADRO C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1C(=O)Nc1cc(N2CCOCC2)c(Br)cn1 ZINC000529469003 564836978 /nfs/dbraw/zinc/83/69/78/564836978.db2.gz BVGOETNIUJFXTB-AZKPJATDSA-N 1 0 398.301 2.679 20 0 GFADRO C[C@@H]1[C@@H](C(=O)Nc2cc(N3CCOCC3)c(Br)cn2)[C@@H]1C1CC1 ZINC000529472585 564837044 /nfs/dbraw/zinc/83/70/44/564837044.db2.gz NWJHAMUZCRWFSO-CIISACIHSA-N 1 0 380.286 2.911 20 0 GFADRO O=S(=O)(c1csc(-c2ccc(Cl)cc2)n1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000462411425 564838013 /nfs/dbraw/zinc/83/80/13/564838013.db2.gz DKNOLBXESOEARR-INIZCTEOSA-N 1 0 383.926 2.838 20 0 GFADRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)NCc1nc2c(cccc2Br)[nH]1 ZINC000556766567 564839210 /nfs/dbraw/zinc/83/92/10/564839210.db2.gz JFUXJZURPCYLHY-LBPRGKRZSA-N 1 0 394.317 2.809 20 0 GFADRO [NH3+][C@@H]1CCC[C@H](CNS(=O)(=O)c2cc(Br)sc2Cl)C1 ZINC000582300854 564839768 /nfs/dbraw/zinc/83/97/68/564839768.db2.gz GQDFCLNTTQARBJ-JGVFFNPUSA-N 1 0 387.752 2.960 20 0 GFADRO COCC[NH2+]C1CCN(C(=O)N[C@H](C)Cc2ccc(Br)cc2)CC1 ZINC000582306340 564840051 /nfs/dbraw/zinc/84/00/51/564840051.db2.gz LPJGWSDQWYDTQB-CQSZACIVSA-N 1 0 398.345 2.790 20 0 GFADRO COCCN(Cc1cc(Br)cs1)C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000494832393 564841669 /nfs/dbraw/zinc/84/16/69/564841669.db2.gz AXPMJCUKXGWRIM-ZDUSSCGKSA-N 1 0 390.347 2.763 20 0 GFADRO NC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1Cc1c[nH]nc1-c1ccc(Br)s1 ZINC000529555963 564842081 /nfs/dbraw/zinc/84/20/81/564842081.db2.gz MPSPJMGDPLGELC-ISOBSLSZSA-N 1 0 395.326 2.987 20 0 GFADRO O=C(Nc1cc(Br)ccc1F)C(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000582348807 564842688 /nfs/dbraw/zinc/84/26/88/564842688.db2.gz XQWKITYUKQTAOQ-UHFFFAOYSA-N 1 0 398.276 2.519 20 0 GFADRO C[N@H+](Cc1c[nH]nc1-c1ccc(Br)s1)[C@@H]1CCN2CCO[C@H]1C2 ZINC000529582328 564843294 /nfs/dbraw/zinc/84/32/94/564843294.db2.gz PPESKZKDJFAOMT-OLZOCXBDSA-N 1 0 397.342 2.806 20 0 GFADRO COc1ccccc1OCC[NH2+][C@@H](C)Cn1cc(Br)ccc1=O ZINC000556876719 564845072 /nfs/dbraw/zinc/84/50/72/564845072.db2.gz KMAVMBDGBOJELG-ZDUSSCGKSA-N 1 0 381.270 2.677 20 0 GFADRO CO[C@H](C)[C@@H](C)NC(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000462517327 564845257 /nfs/dbraw/zinc/84/52/57/564845257.db2.gz KQHLKJUCZHPADT-ZIAGYGMSSA-N 1 0 386.334 2.946 20 0 GFADRO C[C@H](NC(=O)NCc1cc(Br)cc2c1OCC2)[C@H]1CCC[NH2+]C1 ZINC000582409875 564845808 /nfs/dbraw/zinc/84/58/08/564845808.db2.gz BPLFBGQNZDZIDE-AAEUAGOBSA-N 1 0 382.302 2.571 20 0 GFADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H](C)c1nc(C(F)(F)F)cs1 ZINC000495004618 564846084 /nfs/dbraw/zinc/84/60/84/564846084.db2.gz MQLRRODDRMQVIG-WDEREUQCSA-N 1 0 380.436 2.633 20 0 GFADRO CC(C)c1cc(Br)ccc1NC(=O)C(=O)NCC1CC[NH2+]CC1 ZINC000556970077 564848881 /nfs/dbraw/zinc/84/88/81/564848881.db2.gz XVTSQNLUOZSGGP-UHFFFAOYSA-N 1 0 382.302 2.627 20 0 GFADRO Cc1nc(NC(=O)N2C[C@H](C[NH3+])C3(C2)CCOCC3)sc1C(F)(F)F ZINC000557008783 564850947 /nfs/dbraw/zinc/85/09/47/564850947.db2.gz KITLGDPKQVXREZ-JTQLQIEISA-N 1 0 378.420 2.690 20 0 GFADRO CS[C@@H]1CN(C(=O)Cc2c[nH]c3cc(Br)ccc23)C[C@H]1[NH+](C)C ZINC000495551314 564854881 /nfs/dbraw/zinc/85/48/81/564854881.db2.gz XBEIDVHAAOVCTO-HZPDHXFCSA-N 1 0 396.354 2.977 20 0 GFADRO CN(CC[C@H]1CCCC[N@@H+]1C)S(=O)(=O)c1ccc(Br)cc1 ZINC000462700529 564855509 /nfs/dbraw/zinc/85/55/09/564855509.db2.gz GKAUBLKNRXEFAX-CQSZACIVSA-N 1 0 375.332 2.944 20 0 GFADRO CS[C@H]1CN(C(=O)c2ccccc2OCc2cscn2)C[C@@H]1[NH+](C)C ZINC000495635098 564855836 /nfs/dbraw/zinc/85/58/36/564855836.db2.gz ITKUXCFHJGVRIF-RDJZCZTQSA-N 1 0 377.535 2.840 20 0 GFADRO CC1([NH+]2CCOCC2)CCN(C(=O)[C@H](O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000529911284 564856028 /nfs/dbraw/zinc/85/60/28/564856028.db2.gz NFZRJMUJOUTQFT-MRXNPFEDSA-N 1 0 387.307 2.740 20 0 GFADRO [NH3+]CCCOC1CCN(C(=O)NCCOc2cccc(Cl)c2Cl)CC1 ZINC000557165626 564856893 /nfs/dbraw/zinc/85/68/93/564856893.db2.gz JXKYOIGCRWLOOP-UHFFFAOYSA-N 1 0 390.311 2.912 20 0 GFADRO C[C@H]1CCC[N@H+](CCNc2ncnc3ccc(I)cc32)C1 ZINC000462782668 564857853 /nfs/dbraw/zinc/85/78/53/564857853.db2.gz FQZBPKYVWOENNE-LBPRGKRZSA-N 1 0 396.276 3.378 20 0 GFADRO C[NH+](C)C[C@H](NC(=O)[C@H]1CCCN(C(N)=O)C1)c1ccc(Cl)c(Cl)c1 ZINC000530031434 564860090 /nfs/dbraw/zinc/86/00/90/564860090.db2.gz JAAQRIIMAVRJER-WFASDCNBSA-N 1 0 387.311 2.503 20 0 GFADRO O=C(Cc1ccc(I)cc1)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000530027356 564860731 /nfs/dbraw/zinc/86/07/31/564860731.db2.gz KJWVOJLDQGEGCI-INIZCTEOSA-N 1 0 398.288 2.967 20 0 GFADRO C[NH+](C)C[C@@H](NC(=O)[C@@H]1CC(=O)N(C2CC2)C1)c1ccc(Cl)c(Cl)c1 ZINC000530032080 564860752 /nfs/dbraw/zinc/86/07/52/564860752.db2.gz OXBJAFYBHSAGMC-MLGOLLRUSA-N 1 0 384.307 2.723 20 0 GFADRO CC[NH+](CC)[C@H](CNc1cnn(C)c(=O)c1Br)Cc1ccccc1 ZINC000496722211 564861239 /nfs/dbraw/zinc/86/12/39/564861239.db2.gz LMZKZDQPWXSEOT-HNNXBMFYSA-N 1 0 393.329 2.908 20 0 GFADRO C[NH+](C)C[C@@H](NC(=O)[C@H]1CCc2nncn2C1)c1ccc(Cl)c(Cl)c1 ZINC000530035060 564861496 /nfs/dbraw/zinc/86/14/96/564861496.db2.gz YIRBQPAJSZFYEA-SWLSCSKDSA-N 1 0 382.295 2.566 20 0 GFADRO C[C@@H]1C[N@@H+](CCCNC(=O)CCc2cccc(Br)c2)C[C@H](C)O1 ZINC000496672531 564861592 /nfs/dbraw/zinc/86/15/92/564861592.db2.gz JEKDBQUMUACCSQ-GASCZTMLSA-N 1 0 383.330 2.997 20 0 GFADRO Cc1c(I)cccc1C(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000462899155 564862436 /nfs/dbraw/zinc/86/24/36/564862436.db2.gz YOSIXPLTFQIPBY-DZGCQCFKSA-N 1 0 384.261 2.718 20 0 GFADRO CC[NH+](CC)CCN(C(=O)[C@@H]1CCO[C@@H]1C)c1ccc(Br)cn1 ZINC000582787972 564862641 /nfs/dbraw/zinc/86/26/41/564862641.db2.gz BDHHMULWMZPSGB-UKRRQHHQSA-N 1 0 384.318 2.944 20 0 GFADRO COc1cccc(C(=O)NCC[NH2+][C@H](C)c2cncc(Br)c2)c1 ZINC000582797410 564862808 /nfs/dbraw/zinc/86/28/08/564862808.db2.gz RHGLARLTVZMIGD-GFCCVEGCSA-N 1 0 378.270 2.933 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC000557423824 564862819 /nfs/dbraw/zinc/86/28/19/564862819.db2.gz BAUYNHGDUUYCNS-UHFFFAOYSA-N 1 0 382.302 2.544 20 0 GFADRO C[C@@H](CC(=O)N(C)C)[NH2+][C@@H](C)c1ccc(Br)cc1OCCCO ZINC000462947263 564863975 /nfs/dbraw/zinc/86/39/75/564863975.db2.gz QUIGHHDQGVCDRJ-STQMWFEESA-N 1 0 387.318 2.728 20 0 GFADRO C[C@@]1(C(=O)N2CCN(C(=O)c3cc4sccc4s3)CC2)CCC[NH2+]C1 ZINC000497320389 564864411 /nfs/dbraw/zinc/86/44/11/564864411.db2.gz WAJUVUSVUMZMHU-GOSISDBHSA-N 1 0 377.535 2.637 20 0 GFADRO CSCC[C@@H]([NH3+])C(=O)N[C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000497329979 564864489 /nfs/dbraw/zinc/86/44/89/564864489.db2.gz VBMJAAGYTCUFHY-ZYHUDNBSSA-N 1 0 396.866 2.529 20 0 GFADRO C[C@@H](CNC(=O)C(=O)Nc1cccc(Cl)c1Br)[NH+]1CCCC1 ZINC000557586780 564869123 /nfs/dbraw/zinc/86/91/23/564869123.db2.gz LVFHBKXVWANFOG-JTQLQIEISA-N 1 0 388.693 2.642 20 0 GFADRO C[C@H]1[C@@H](c2ccc(Br)cc2)OCCN1CC[N@@H+]1CCCOCC1 ZINC000463113012 564869983 /nfs/dbraw/zinc/86/99/83/564869983.db2.gz NFUVSXATASWPOP-YJBOKZPZSA-N 1 0 383.330 2.933 20 0 GFADRO CS(=O)(=O)Nc1cccc(C[NH2+]C2CCN(CCC(F)(F)F)CC2)c1 ZINC000463136558 564870649 /nfs/dbraw/zinc/87/06/49/564870649.db2.gz LCMDVOZXXIDXBF-UHFFFAOYSA-N 1 0 379.448 2.565 20 0 GFADRO CC[NH+]1CCN([C@H]2CCN(C(=O)c3c(C)cccc3Br)C2)CC1 ZINC000582997490 564870828 /nfs/dbraw/zinc/87/08/28/564870828.db2.gz BNLVLKCSMOSDHU-HNNXBMFYSA-N 1 0 380.330 2.610 20 0 GFADRO C[C@H](COc1ccc2cc(Br)ccc2c1)[NH2+]C[C@@H]1COCCN1 ZINC000530219578 564872815 /nfs/dbraw/zinc/87/28/15/564872815.db2.gz GWGOZBRORIXNRG-CXAGYDPISA-N 1 0 379.298 2.948 20 0 GFADRO [NH3+]Cc1cn([C@H]2CCCN(Cc3ccc(Br)c(F)c3F)C2)nn1 ZINC000530226825 564873199 /nfs/dbraw/zinc/87/31/99/564873199.db2.gz TXCPMIWJSJSGLT-LBPRGKRZSA-N 1 0 386.244 2.615 20 0 GFADRO C[C@H](COc1ccc2cc(Br)ccc2c1)[NH2+]C[C@H]1COCCN1 ZINC000530219579 564873326 /nfs/dbraw/zinc/87/33/26/564873326.db2.gz GWGOZBRORIXNRG-DYVFJYSZSA-N 1 0 379.298 2.948 20 0 GFADRO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1cc(Br)cc2c1OCC2 ZINC000463254546 564873798 /nfs/dbraw/zinc/87/37/98/564873798.db2.gz FRQKHPFVKSOUFE-BLLLJJGKSA-N 1 0 394.313 2.762 20 0 GFADRO C[C@H](NC(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1)c1cc(F)c(Cl)cc1Cl ZINC000583139579 564877600 /nfs/dbraw/zinc/87/76/00/564877600.db2.gz UPLZJHIHXFFWAS-VHSXEESVSA-N 1 0 386.258 2.967 20 0 GFADRO C[N@H+](CCNS(=O)(=O)Cc1cccc(Br)c1)C1CCCC1 ZINC000557812615 564877963 /nfs/dbraw/zinc/87/79/63/564877963.db2.gz YZZVNVKDIWILAV-UHFFFAOYSA-N 1 0 375.332 2.743 20 0 GFADRO C[C@H]1C[C@H](NC(=O)c2cnnn2-c2c(Cl)cccc2Cl)C[N@@H+]1C1CC1 ZINC000530425724 564880498 /nfs/dbraw/zinc/88/04/98/564880498.db2.gz GFIFRXLEXBDRFE-QWRGUYRKSA-N 1 0 380.279 2.929 20 0 GFADRO CC[C@@H](C)[C@@H]([NH3+])C(=O)N1CCC(C(=O)Nc2cccc(Br)c2)CC1 ZINC000497959960 564882216 /nfs/dbraw/zinc/88/22/16/564882216.db2.gz PWHJZEBXUYYZIG-MLGOLLRUSA-N 1 0 396.329 3.000 20 0 GFADRO Cc1cc(N2CCC[C@@H]([NH+]3CCC(CO)CC3)C2=O)ccc1Br ZINC000463485426 564882336 /nfs/dbraw/zinc/88/23/36/564882336.db2.gz TZWYIGAVJNAHRP-QGZVFWFLSA-N 1 0 381.314 2.957 20 0 GFADRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1S(=O)(=O)c1cc(Br)ccc1F ZINC000557854683 564882953 /nfs/dbraw/zinc/88/29/53/564882953.db2.gz ZLUPIORXTJOYQX-RISCZKNCSA-N 1 0 391.306 2.836 20 0 GFADRO COCC[N@H+](C)C[C@H](O)CN1CCC(c2ccccc2Br)CC1 ZINC000583270976 564883235 /nfs/dbraw/zinc/88/32/35/564883235.db2.gz ISPDXLUIFKMRGQ-INIZCTEOSA-N 1 0 385.346 2.568 20 0 GFADRO C[NH+](C)CCOC1CCN(Cc2cn3ccc(Br)cc3n2)CC1 ZINC000583353649 564887164 /nfs/dbraw/zinc/88/71/64/564887164.db2.gz ASWUWXZJFDSTLD-UHFFFAOYSA-N 1 0 381.318 2.639 20 0 GFADRO COC(=O)C[C@]1([NH2+]Cc2ccc(OC(F)F)c(Br)c2)CCOC1 ZINC000463700170 564887966 /nfs/dbraw/zinc/88/79/66/564887966.db2.gz UWUSFAWNNJDCOM-OAHLLOKOSA-N 1 0 394.212 2.862 20 0 GFADRO C[NH2+][C@H]1CCCN(C(=O)NCCNc2ncc(C(F)(F)F)cc2Cl)C1 ZINC000583370841 564888516 /nfs/dbraw/zinc/88/85/16/564888516.db2.gz WERKKZXLLJENQH-NSHDSACASA-N 1 0 379.814 2.559 20 0 GFADRO C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H](c1ccc(Cl)cc1Cl)N1CCOCC1 ZINC000463810827 564891113 /nfs/dbraw/zinc/89/11/13/564891113.db2.gz KRXOSDARXQBVRA-WMLDXEAASA-N 1 0 386.323 2.577 20 0 GFADRO CCOC(=O)C[C@H](NC(=O)[C@H]([NH3+])CC(F)F)c1ccc(Br)cc1 ZINC000498203359 564891869 /nfs/dbraw/zinc/89/18/69/564891869.db2.gz YPWKURWBPPGIDX-NEPJUHHUSA-N 1 0 393.228 2.542 20 0 GFADRO [NH3+][C@@H](CC(F)F)C(=O)N1CCC[C@@H]1c1ccccc1I ZINC000498216268 564892145 /nfs/dbraw/zinc/89/21/45/564892145.db2.gz NXKQCCHXCSCROU-NWDGAFQWSA-N 1 0 394.203 2.937 20 0 GFADRO Brc1ccsc1C[N@H+](CCN1CCOCC1)C[C@@H]1CCOC1 ZINC000558142781 564893567 /nfs/dbraw/zinc/89/35/67/564893567.db2.gz FPHJIZZIWLMTGG-AWEZNQCLSA-N 1 0 389.359 2.681 20 0 GFADRO CC[NH+](CC)CCNC(=O)C(=O)N(Cc1ccc(Cl)c(Cl)c1)C1CC1 ZINC000583513803 564896113 /nfs/dbraw/zinc/89/61/13/564896113.db2.gz XPPBLJFUHAVXBE-UHFFFAOYSA-N 1 0 386.323 2.942 20 0 GFADRO COC[C@@H](C)OC[C@@H](O)C[NH2+]CC1(c2cccc(Br)c2)CCC1 ZINC000583688613 564903063 /nfs/dbraw/zinc/90/30/63/564903063.db2.gz RWQYZCMGUBISKL-PBHICJAKSA-N 1 0 386.330 2.873 20 0 GFADRO C[C@H]1CC[N@H+](C)CCN1C(=O)[C@]12CCC(=O)N1c1cc(Cl)ccc1S2 ZINC000498716659 564905907 /nfs/dbraw/zinc/90/59/07/564905907.db2.gz LBWNZTYMYNEMCN-KPZWWZAWSA-N 1 0 379.913 2.821 20 0 GFADRO CN(C)c1cc(Cl)cc(Cl)c1C[N@H+](C)C1CCN(S(C)(=O)=O)CC1 ZINC000558567985 564906497 /nfs/dbraw/zinc/90/64/97/564906497.db2.gz XUDVKPHYUGRVMJ-UHFFFAOYSA-N 1 0 394.368 2.915 20 0 GFADRO CC(C)[N@H+](C)C[C@H](C)NC(=O)c1cc(F)ccc1I ZINC000558581915 564906866 /nfs/dbraw/zinc/90/68/66/564906866.db2.gz KATQRQAIDMYLHL-JTQLQIEISA-N 1 0 378.229 2.889 20 0 GFADRO C[C@H]1CC[N@H+](C)CCN1C(=O)C1CCN(C(=O)c2ccc(Cl)s2)CC1 ZINC000498727272 564907245 /nfs/dbraw/zinc/90/72/45/564907245.db2.gz PZFHMXFOGYTXLR-ZDUSSCGKSA-N 1 0 383.945 2.806 20 0 GFADRO C[NH2+]CCN(C)C(=O)NCCOc1ccc2cc(Br)ccc2c1 ZINC000583801738 564907879 /nfs/dbraw/zinc/90/78/79/564907879.db2.gz IUPXWXDTPHGYPD-UHFFFAOYSA-N 1 0 380.286 2.842 20 0 GFADRO CC(C)(C)[C@H](O)C[C@H](CO)[NH2+]CCC(=O)Nc1cccc(Br)c1 ZINC000583812776 564908705 /nfs/dbraw/zinc/90/87/05/564908705.db2.gz TZPDEWVYNWAQFD-HUUCEWRRSA-N 1 0 387.318 2.525 20 0 GFADRO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)COc1c(Cl)cccc1Cl ZINC000498775460 564908844 /nfs/dbraw/zinc/90/88/44/564908844.db2.gz OMVGSVZWHPBYEG-UHFFFAOYSA-N 1 0 388.339 2.857 20 0 GFADRO CCCC[N@H+](C)C[C@@H](C)NC(=O)Cc1cc2c(cc1Br)OCCO2 ZINC000558609295 564908967 /nfs/dbraw/zinc/90/89/67/564908967.db2.gz BVEISXNJNUMBDV-CYBMUJFWSA-N 1 0 399.329 2.999 20 0 GFADRO O=C(N[C@@H]1COc2cc(F)c(Br)cc21)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000558672537 564910323 /nfs/dbraw/zinc/91/03/23/564910323.db2.gz JVPGBNAJYYCHTD-XHDPSFHLSA-N 1 0 398.276 2.901 20 0 GFADRO C[C@H](C1CC[NH+](C)CC1)N(C)S(=O)(=O)c1cccc(Br)c1 ZINC000498883984 564911723 /nfs/dbraw/zinc/91/17/23/564911723.db2.gz OAVCCSQXGBZQAO-GFCCVEGCSA-N 1 0 375.332 2.800 20 0 GFADRO C[C@@H](NC(=O)C[N@@H+]1CCC[C@@]2(CNC(=O)C2)C1)c1ccc(Cl)c(Cl)c1 ZINC000464796046 564918177 /nfs/dbraw/zinc/91/81/77/564918177.db2.gz UBSLJZVPKGMEFS-KZULUSFZSA-N 1 0 384.307 2.773 20 0 GFADRO C[NH+](C)CCCN(C(=O)c1cc2sccc2s1)[C@@H]1CCS(=O)(=O)C1 ZINC000531824463 564920860 /nfs/dbraw/zinc/92/08/60/564920860.db2.gz KRKAOIZLWDYXSP-GFCCVEGCSA-N 1 0 386.564 2.544 20 0 GFADRO NC(=O)[C@H]1CC[C@H](C[NH2+]CCC(=O)Nc2cccc(Br)c2)CC1 ZINC000584108772 564921482 /nfs/dbraw/zinc/92/14/82/564921482.db2.gz SSYFESSNFFVWNU-JOCQHMNTSA-N 1 0 382.302 2.659 20 0 GFADRO C[C@H](CNC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1)c1c(Cl)cccc1Cl ZINC000584164184 564923439 /nfs/dbraw/zinc/92/34/39/564923439.db2.gz IUROZKULPQTMFN-AGIUHOORSA-N 1 0 386.323 2.812 20 0 GFADRO CC[NH+](CC)CCOC1CCN(C(=O)c2cc(Br)cn2C)CC1 ZINC000465259203 564925664 /nfs/dbraw/zinc/92/56/64/564925664.db2.gz DQXXZTQWVLOOFU-UHFFFAOYSA-N 1 0 386.334 2.751 20 0 GFADRO Cc1ccc([C@H](CNC(=O)Cn2cc(Br)cn2)[NH+]2CCCC2)cc1 ZINC000499417868 564926962 /nfs/dbraw/zinc/92/69/62/564926962.db2.gz CHYZQXKDOSMYPS-KRWDZBQOSA-N 1 0 391.313 2.907 20 0 GFADRO Cc1ccc(Br)cc1C(=O)N1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000532089134 564929045 /nfs/dbraw/zinc/92/90/45/564929045.db2.gz UYRJOXRLXGJZIG-QGZVFWFLSA-N 1 0 394.357 2.998 20 0 GFADRO CC[NH+](CC)CCN(Cc1cccs1)C(=O)CNC(=O)c1cccs1 ZINC000532103008 564929071 /nfs/dbraw/zinc/92/90/71/564929071.db2.gz RCBNKEOOEQTXIK-UHFFFAOYSA-N 1 0 379.551 2.910 20 0 GFADRO O=C(c1csc(C(F)(F)F)n1)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000499513073 564929945 /nfs/dbraw/zinc/92/99/45/564929945.db2.gz TZVYHSUNPVRQFU-UHFFFAOYSA-N 1 0 377.432 2.879 20 0 GFADRO CC1(C)CN(CCNC(=O)N[C@H]2COc3c2ccc(Cl)c3Cl)CCO1 ZINC000465798980 564931925 /nfs/dbraw/zinc/93/19/25/564931925.db2.gz HKNSWHBXUDWIOZ-ZDUSSCGKSA-N 1 0 388.295 2.837 20 0 GFADRO C[C@H](CNC(=O)C(=O)N[C@@H](C)c1cc(F)c(Cl)cc1Cl)[N@H+](C)C1CC1 ZINC000559405726 564932230 /nfs/dbraw/zinc/93/22/30/564932230.db2.gz NAQGUFFCTILTOZ-ZJUUUORDSA-N 1 0 390.286 2.909 20 0 GFADRO CC[NH+](CC)[C@H]1CCN(C(=O)NCCOc2ccc(Br)cc2)C1 ZINC000465789845 564932368 /nfs/dbraw/zinc/93/23/68/564932368.db2.gz VWQPHYYNXRXPDD-HNNXBMFYSA-N 1 0 384.318 2.954 20 0 GFADRO C[C@@H](C[NH2+]C1(Cc2ccc(F)cc2Cl)CCOCC1)CS(C)(=O)=O ZINC000559409639 564933029 /nfs/dbraw/zinc/93/30/29/564933029.db2.gz CGRLXPWQTHERLH-ZDUSSCGKSA-N 1 0 377.909 2.841 20 0 GFADRO O=C(NCCC[NH+]1CCCCC1)C(=O)NCCc1cc(Cl)cc(Cl)c1 ZINC000559462956 564933688 /nfs/dbraw/zinc/93/36/88/564933688.db2.gz VPAREJRTRVSJHD-UHFFFAOYSA-N 1 0 386.323 2.644 20 0 GFADRO CN1CCC[C@H]([NH2+]Cc2ccc(Br)c(Br)c2)C1=O ZINC000532321822 564934745 /nfs/dbraw/zinc/93/47/45/564934745.db2.gz DUOYQGBPVNDCJR-LBPRGKRZSA-N 1 0 376.092 2.922 20 0 GFADRO C[C@@H]1CC[N@H+](CCNC(=O)c2cc(I)ccc2F)C1 ZINC000532398141 564936448 /nfs/dbraw/zinc/93/64/48/564936448.db2.gz SOTHOVXVLUJORB-SNVBAGLBSA-N 1 0 376.213 2.502 20 0 GFADRO Cc1ncc2c(n1)CC[N@@H+](CCC(=O)Nc1ccccc1Br)C2 ZINC000532469703 564939125 /nfs/dbraw/zinc/93/91/25/564939125.db2.gz HANIBQDMKWQSOV-UHFFFAOYSA-N 1 0 375.270 2.934 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NCc2c(Cl)cccc2Cl)[C@@H](C)C1 ZINC000559800161 564940504 /nfs/dbraw/zinc/94/05/04/564940504.db2.gz DLVYMTOLWODMLL-BLLLJJGKSA-N 1 0 386.323 2.798 20 0 GFADRO CSc1ccc([C@@H](C)[NH2+]Cc2cnn([C@]3(C)CCS(=O)(=O)C3)c2)cc1 ZINC000466414043 564940560 /nfs/dbraw/zinc/94/05/60/564940560.db2.gz GNBWUKIVERXYHS-RDTXWAMCSA-N 1 0 379.551 2.990 20 0 GFADRO CN(C)S(=O)(=O)c1cc(NC(=O)C[N@H+](C)CC(C)(C)C)ccc1Cl ZINC000532549884 564941037 /nfs/dbraw/zinc/94/10/37/564941037.db2.gz CFOYAFNGJQXUPY-UHFFFAOYSA-N 1 0 375.922 2.507 20 0 GFADRO Cc1cc(C[NH2+][C@@H]2CCCN(c3nccn(C)c3=O)C2)sc1Br ZINC000466476276 564941055 /nfs/dbraw/zinc/94/10/55/564941055.db2.gz YIOPZORZCIHNKZ-GFCCVEGCSA-N 1 0 397.342 2.671 20 0 GFADRO C[C@@H](CN1CCN(c2ccccn2)CC1)[NH2+]Cc1cncc(Br)c1 ZINC000466463149 564941367 /nfs/dbraw/zinc/94/13/67/564941367.db2.gz HGKPUGVLILIRSA-HNNXBMFYSA-N 1 0 390.329 2.539 20 0 GFADRO C[C@H](CNC(=O)C(=O)NCCc1cc(Cl)cc(Cl)c1)C[NH+]1CCCC1 ZINC000560014817 564944532 /nfs/dbraw/zinc/94/45/32/564944532.db2.gz FJLUIRJRPDDYBB-CYBMUJFWSA-N 1 0 386.323 2.500 20 0 GFADRO CC[C@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1cc2c(cc1Cl)OCCO2 ZINC000500102846 564945600 /nfs/dbraw/zinc/94/56/00/564945600.db2.gz PCQUMEMITHPIIK-ZDUSSCGKSA-N 1 0 388.917 2.654 20 0 GFADRO CC(C)c1ccc(Cl)c(S(=O)(=O)N(C)CCCN2CC[NH+](C)CC2)c1 ZINC000560030538 564945665 /nfs/dbraw/zinc/94/56/65/564945665.db2.gz BFWALMXTQGEYIG-UHFFFAOYSA-N 1 0 387.977 2.721 20 0 GFADRO CC[N@@H+]1C[C@H](C)N(C(=O)c2c(F)cccc2I)C[C@H]1C ZINC000500116910 564946376 /nfs/dbraw/zinc/94/63/76/564946376.db2.gz ZPIJRCSYJKPXPO-MNOVXSKESA-N 1 0 390.240 2.985 20 0 GFADRO NC(=O)c1cccc(CC[NH2+]Cc2cccc(I)c2)c1 ZINC000560049563 564947229 /nfs/dbraw/zinc/94/72/29/564947229.db2.gz YCGLTVBFFBEWFF-UHFFFAOYSA-N 1 0 380.229 2.722 20 0 GFADRO COc1ccc(Br)c(C(=O)NCCC[NH2+][C@H](C)COC(C)C)c1 ZINC000500429206 564952472 /nfs/dbraw/zinc/95/24/72/564952472.db2.gz NCACKSSZFCJXEW-CYBMUJFWSA-N 1 0 387.318 2.981 20 0 GFADRO COCC[C@@H]([NH2+]CC1(O)CCS(=O)(=O)CC1)c1ccc(Cl)c(Cl)c1 ZINC000560185167 564952519 /nfs/dbraw/zinc/95/25/19/564952519.db2.gz QKEYDEIVTNSBCI-OAHLLOKOSA-N 1 0 396.336 2.600 20 0 GFADRO O=c1n(CC[NH2+]C2(c3cccc(Br)c3)CCC2)nc2ccccn21 ZINC000533047926 564952944 /nfs/dbraw/zinc/95/29/44/564952944.db2.gz VCVDCGXKIIMTQO-UHFFFAOYSA-N 1 0 387.281 2.928 20 0 GFADRO COc1ccc(CCC(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)cc1Br ZINC000467027882 564953179 /nfs/dbraw/zinc/95/31/79/564953179.db2.gz CXWYLWAJZIRQSR-MLGOLLRUSA-N 1 0 381.314 2.989 20 0 GFADRO CN(C(=O)c1cccc(F)c1I)[C@@H]1CCC[N@H+](C)C1 ZINC000533076891 564953547 /nfs/dbraw/zinc/95/35/47/564953547.db2.gz OWNKGHOFBCLHIB-SNVBAGLBSA-N 1 0 376.213 2.597 20 0 GFADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2cccc(F)c2I)C1 ZINC000533077493 564953793 /nfs/dbraw/zinc/95/37/93/564953793.db2.gz OCMZNHUSKGZGOD-NSHDSACASA-N 1 0 390.240 2.844 20 0 GFADRO COC(=O)c1ccc(C[NH2+]CCNC(=O)c2cccs2)c(Br)c1 ZINC000560243777 564954176 /nfs/dbraw/zinc/95/41/76/564954176.db2.gz PSVORZRZQNQIOW-UHFFFAOYSA-N 1 0 397.294 2.817 20 0 GFADRO Ic1cccc(CN2CCN(CC[NH+]3CCCC3)CC2)c1 ZINC000560261304 564955393 /nfs/dbraw/zinc/95/53/93/564955393.db2.gz UVVANHDXAJSYIA-UHFFFAOYSA-N 1 0 399.320 2.505 20 0 GFADRO Cc1ccc(-c2nc(C[NH2+][C@@H]3CCC[C@H]3CNS(C)(=O)=O)cs2)cc1 ZINC000500545307 564956994 /nfs/dbraw/zinc/95/69/94/564956994.db2.gz NCHXZTUHLBPMPS-DOTOQJQBSA-N 1 0 379.551 2.926 20 0 GFADRO O=S(=O)(NCC1([NH+]2CCSCC2)CCCCC1)c1cncc(Cl)c1 ZINC000533174680 564957351 /nfs/dbraw/zinc/95/73/51/564957351.db2.gz AFAYYSAZTMLBRL-UHFFFAOYSA-N 1 0 389.974 2.765 20 0 GFADRO C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@@H](C)C(=O)N1CCCC1 ZINC000467406035 564962395 /nfs/dbraw/zinc/96/23/95/564962395.db2.gz OOOINJIXUBDADW-STQMWFEESA-N 1 0 382.302 2.767 20 0 GFADRO O=C(CCc1ncc(-c2ccccc2Br)o1)NCC[NH+]1CCC1 ZINC000500853752 564964418 /nfs/dbraw/zinc/96/44/18/564964418.db2.gz ZUWLPINTGOBVEW-UHFFFAOYSA-N 1 0 378.270 2.859 20 0 GFADRO CC(C)[N@@H+]1CCCN(C(=O)c2cccc(F)c2I)CC1 ZINC000533544096 564965976 /nfs/dbraw/zinc/96/59/76/564965976.db2.gz ULUSIWNDKPJXCY-UHFFFAOYSA-N 1 0 390.240 2.987 20 0 GFADRO Cc1ccc(Br)c(S(=O)(=O)NCC[NH2+][C@@H](C)c2ccoc2)c1 ZINC000560575066 564967976 /nfs/dbraw/zinc/96/79/76/564967976.db2.gz LTDRHSKXTOBJRT-LBPRGKRZSA-N 1 0 387.299 2.980 20 0 GFADRO CC[C@]1(C(=O)N2CCN(C(=O)c3cc4sccc4s3)CC2)CCC[NH2+]1 ZINC000467717145 564970375 /nfs/dbraw/zinc/97/03/75/564970375.db2.gz YOVHNHDAXNONPU-GOSISDBHSA-N 1 0 377.535 2.779 20 0 GFADRO CC[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)N[C@H](C)CC[NH+](C)C ZINC000560670396 564971542 /nfs/dbraw/zinc/97/15/42/564971542.db2.gz PCTPRGZHSZZVJG-IUODEOHRSA-N 1 0 388.339 2.887 20 0 GFADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)NCCC[NH+](C(C)C)C(C)C)c1 ZINC000467780414 564972391 /nfs/dbraw/zinc/97/23/91/564972391.db2.gz PSMVFKZWZZVXPF-UHFFFAOYSA-N 1 0 390.933 2.914 20 0 GFADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]Cc1ccc(N2CCCC2)nc1 ZINC000468069019 564977629 /nfs/dbraw/zinc/97/76/29/564977629.db2.gz ANURPJKRCPTHBZ-CQSZACIVSA-N 1 0 391.313 2.784 20 0 GFADRO O=C(C1CC1)N1CCC([NH2+]C[C@@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000560839660 564977764 /nfs/dbraw/zinc/97/77/64/564977764.db2.gz GMYYMTQGVOZMJQ-OAHLLOKOSA-N 1 0 387.307 2.724 20 0 GFADRO CC(C)c1cc(Br)ccc1NC(=O)C(=O)NCC[N@H+](C)C1CC1 ZINC000534119163 564980206 /nfs/dbraw/zinc/98/02/06/564980206.db2.gz SRLUEGOIOXYPBO-UHFFFAOYSA-N 1 0 382.302 2.721 20 0 GFADRO C/C(=C\c1ccccc1C(F)(F)F)C[NH2+]CC1(O)CCS(=O)(=O)CC1 ZINC000501447621 564980595 /nfs/dbraw/zinc/98/05/95/564980595.db2.gz JSWVXBKDRCJQGH-JLHYYAGUSA-N 1 0 377.428 2.638 20 0 GFADRO O=C(NC[C@H]1C[NH2+]CCCO1)Nc1ccc(C(F)(F)F)c(Br)c1 ZINC000561009739 564980962 /nfs/dbraw/zinc/98/09/62/564980962.db2.gz GUNYSKPAVPJKEY-SNVBAGLBSA-N 1 0 396.207 2.968 20 0 GFADRO CCN(C(=O)CN1C[C@H](SC)[C@@H]([NH+](C)C)C1)c1nc2ccccc2s1 ZINC000534217137 564982739 /nfs/dbraw/zinc/98/27/39/564982739.db2.gz FTWJEWOTZXWDKC-HOCLYGCPSA-N 1 0 378.567 2.627 20 0 GFADRO CCc1csc(-n2cc(C(=O)NC[C@@H](c3cccs3)[NH+](C)C)cn2)n1 ZINC000534248826 564983529 /nfs/dbraw/zinc/98/35/29/564983529.db2.gz HJMVZNGEEUAOCQ-AWEZNQCLSA-N 1 0 375.523 2.985 20 0 GFADRO COC(=O)[C@H](c1cccc(Br)c1)N(C)C(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC000501646315 564983994 /nfs/dbraw/zinc/98/39/94/564983994.db2.gz KROQNVMLRYILBM-XNJGSVPQSA-N 1 0 397.313 2.994 20 0 GFADRO O=C(N[C@@H]1COc2cc(F)c(Br)cc21)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000561198038 564986926 /nfs/dbraw/zinc/98/69/26/564986926.db2.gz PRRNKNGEUCZHFW-RHSMWYFYSA-N 1 0 398.276 2.807 20 0 GFADRO CO[C@@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)NCC1=CC[NH2+]CC1 ZINC000561193884 564987107 /nfs/dbraw/zinc/98/71/07/564987107.db2.gz RZUJEMNSJLTEMB-MLGOLLRUSA-N 1 0 382.302 2.744 20 0 GFADRO C[NH+]1CCN(c2cccc(C(=O)Nc3ccc(Br)cc3)n2)CC1 ZINC000502056838 564991180 /nfs/dbraw/zinc/99/11/80/564991180.db2.gz LZFNOVOOHGQCRF-UHFFFAOYSA-N 1 0 375.270 2.848 20 0 GFADRO C[C@@H](NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1)c1cccc(Cl)c1Cl ZINC000502231903 564994849 /nfs/dbraw/zinc/99/48/49/564994849.db2.gz NJTOVLWUTKCGSI-DGCLKSJQSA-N 1 0 384.307 2.866 20 0 GFADRO C[C@H](CCc1ccc(I)cc1)[NH2+][C@H](C)C(=O)NCCF ZINC000502364810 564996523 /nfs/dbraw/zinc/99/65/23/564996523.db2.gz JEJKWPAQUBHTBX-VXGBXAGGSA-N 1 0 392.256 2.676 20 0 GFADRO CS[C@@H]1CN(C(=O)[C@H](C)Oc2ccccc2Br)C[C@H]1[NH+](C)C ZINC000534827927 564997539 /nfs/dbraw/zinc/99/75/39/564997539.db2.gz STQCCWGJKRMZLR-NJZAAPMLSA-N 1 0 387.343 2.720 20 0 GFADRO C[N@H+](CC1CC1)C[C@H]1CCN(S(=O)(=O)c2c(Cl)ccc(F)c2F)C1 ZINC000561513067 564997681 /nfs/dbraw/zinc/99/76/81/564997681.db2.gz YQMQYTJDBTUJHT-GFCCVEGCSA-N 1 0 378.872 2.971 20 0 GFADRO C[C@H](CC[NH+](C)C)NS(=O)(=O)c1c(Cl)cc(F)cc1Br ZINC000502419113 564998240 /nfs/dbraw/zinc/99/82/40/564998240.db2.gz NBQSPDATHVQGDV-MRVPVSSYSA-N 1 0 387.702 2.860 20 0 GFADRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1S(=O)(=O)N(C)Cc1c(F)cccc1Cl ZINC000561552541 565001009 /nfs/dbraw/zinc/00/10/09/565001009.db2.gz WDPCBSMHJFDRID-GUYCJALGSA-N 1 0 389.924 2.714 20 0 GFADRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1S(=O)(=O)N(C)Cc1c(F)cccc1Cl ZINC000561552542 565001206 /nfs/dbraw/zinc/00/12/06/565001206.db2.gz WDPCBSMHJFDRID-SUMWQHHRSA-N 1 0 389.924 2.714 20 0 GFADRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1S(=O)(=O)Cc1ccc(Br)cc1 ZINC000561552432 565001437 /nfs/dbraw/zinc/00/14/37/565001437.db2.gz QKHDQJIIYINMAS-CJNGLKHVSA-N 1 0 387.343 2.838 20 0 GFADRO COc1cccc(N2C[C@H]([NH2+]Cc3cncc(Br)c3)CC2=O)c1 ZINC000502715929 565003497 /nfs/dbraw/zinc/00/34/97/565003497.db2.gz QOLHOCWEUFCCNP-CQSZACIVSA-N 1 0 376.254 2.748 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC000469177754 565008388 /nfs/dbraw/zinc/00/83/88/565008388.db2.gz BPBVLJLPZKLCFP-CHWSQXEVSA-N 1 0 382.302 2.685 20 0 GFADRO C[C@H](CCc1ccc(Br)cc1)NC(=O)NCCNc1cc[nH+]cc1 ZINC000535262434 565008885 /nfs/dbraw/zinc/00/88/85/565008885.db2.gz UZFFWRNEEJIUCV-CQSZACIVSA-N 1 0 391.313 2.998 20 0 GFADRO CC(C)[N@@H+]1CCc2nc(CNCc3ccc(S(C)(=O)=O)s3)sc2C1 ZINC000469271069 565011343 /nfs/dbraw/zinc/01/13/43/565011343.db2.gz YBOHZJSJUYXQRW-UHFFFAOYSA-N 1 0 385.580 2.664 20 0 GFADRO C[C@@H](CC(=O)N(C)C)[NH2+]Cc1ccc(I)c(Cl)c1 ZINC000503084067 565011534 /nfs/dbraw/zinc/01/15/34/565011534.db2.gz DIVNRSHTCSAWKT-VIFPVBQESA-N 1 0 380.657 2.901 20 0 GFADRO C[C@@H]1CN(CCC[NH2+]CCC(=O)Nc2cccc(Br)c2)C[C@H](C)O1 ZINC000561897517 565012268 /nfs/dbraw/zinc/01/22/68/565012268.db2.gz ZNRAKELFRBSZEQ-GASCZTMLSA-N 1 0 398.345 2.867 20 0 GFADRO Cc1csc(C(=O)N(C)[C@H]2CC[N@@H+](C3CC3)C2)c1I ZINC000469309179 565013306 /nfs/dbraw/zinc/01/33/06/565013306.db2.gz CXTSAQASFCHUJI-NSHDSACASA-N 1 0 390.290 2.970 20 0 GFADRO NC(=O)[C@H]1CCCN1CCC[NH2+][C@H]1CCc2c1c(Br)ccc2F ZINC000535508920 565014606 /nfs/dbraw/zinc/01/46/06/565014606.db2.gz XONVGBXVXVWFKR-LSDHHAIUSA-N 1 0 384.293 2.505 20 0 GFADRO CC[NH+]1CCC(NC(=O)c2c(O)cnc3c(Br)cccc32)CC1 ZINC000562053803 565016120 /nfs/dbraw/zinc/01/61/20/565016120.db2.gz LHYZTMYFFDGAEK-UHFFFAOYSA-N 1 0 378.270 2.917 20 0 GFADRO C[C@@H](Cc1ccc(Br)cc1F)[NH2+]C[C@@H]1CCCS(=O)(=O)C1 ZINC000562057941 565017091 /nfs/dbraw/zinc/01/70/91/565017091.db2.gz KMLHMZPGZKEFLE-RYUDHWBXSA-N 1 0 378.307 2.934 20 0 GFADRO CN(C)c1cc(Cl)cc(Cl)c1C[NH2+]C[C@@H]1CCC[C@H]1NS(C)(=O)=O ZINC000562071768 565017117 /nfs/dbraw/zinc/01/71/17/565017117.db2.gz QLKSGJMHYKAMNR-XHDPSFHLSA-N 1 0 394.368 2.867 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)[C@@H](c1ccc(Br)cc1)N1CCCC1 ZINC000503411677 565018309 /nfs/dbraw/zinc/01/83/09/565018309.db2.gz QJXCIFLPNJHPDD-SJLPKXTDSA-N 1 0 392.341 2.939 20 0 GFADRO C[C@H](NC(=O)[C@@H]1CC(=O)Nc2ccc(Br)cc21)C(C)(C)C[NH+](C)C ZINC000469576650 565021069 /nfs/dbraw/zinc/02/10/69/565021069.db2.gz OAMGCORHHFHDKK-SMDDNHRTSA-N 1 0 396.329 2.967 20 0 GFADRO C[NH+]1CCC2(CCCN2C(=O)CNC(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000535786348 565021251 /nfs/dbraw/zinc/02/12/51/565021251.db2.gz ALBJZSIMPFXWQN-UHFFFAOYSA-N 1 0 384.307 2.810 20 0 GFADRO Cc1cccc(Br)c1C(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000562246794 565022059 /nfs/dbraw/zinc/02/20/59/565022059.db2.gz IMOWMWXCULGSSJ-NVXWUHKLSA-N 1 0 394.357 2.856 20 0 GFADRO CC(C)[N@@H+]1CCO[C@H](C(=O)NCc2ccc(Br)cc2Cl)C1 ZINC000469624254 565022427 /nfs/dbraw/zinc/02/24/27/565022427.db2.gz ZCNIIAOCTUIEES-AWEZNQCLSA-N 1 0 375.694 2.828 20 0 GFADRO C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@@H](C)c2ccc(Br)cc2)[C@@H](C)C1 ZINC000503557961 565023415 /nfs/dbraw/zinc/02/34/15/565023415.db2.gz MOCFEFMHYDSZRM-IHRRRGAJSA-N 1 0 384.318 2.607 20 0 GFADRO CC(C)(C)NS(=O)(=O)CC[NH2+]Cc1ccc(Br)c(Cl)c1 ZINC000562361666 565025916 /nfs/dbraw/zinc/02/59/16/565025916.db2.gz COZKOTIBADRZHR-UHFFFAOYSA-N 1 0 383.739 2.910 20 0 GFADRO CCOc1cc(CN2CC[C@@H](OC)C[C@H]2C[NH3+])cc(Br)c1OC ZINC000469885053 565030843 /nfs/dbraw/zinc/03/08/43/565030843.db2.gz RSFVJKTZCDGBGJ-UONOGXRCSA-N 1 0 387.318 2.795 20 0 GFADRO CS[C@@H]1CN(C(=O)CS[C@H](C)c2nc3ccccc3[nH]2)C[C@@H]1[NH+](C)C ZINC000536335557 565035245 /nfs/dbraw/zinc/03/52/45/565035245.db2.gz HBSLZGZJSXAMTI-UHOFOFEASA-N 1 0 378.567 2.861 20 0 GFADRO CS[C@@H]1CN(CC(=O)Nc2ccc(C)cc2Br)C[C@@H]1[NH+](C)C ZINC000536472541 565038485 /nfs/dbraw/zinc/03/84/85/565038485.db2.gz NTPVXHOBNQQPDS-LSDHHAIUSA-N 1 0 386.359 2.673 20 0 GFADRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)Nc1ccc(Cl)c(OC(F)F)c1 ZINC000504471712 565040452 /nfs/dbraw/zinc/04/04/52/565040452.db2.gz UAXJIEFTINGNEI-SNVBAGLBSA-N 1 0 377.819 2.726 20 0 GFADRO COc1cc(I)ccc1NC(=O)CCCC[NH+](C)C ZINC000562745582 565041821 /nfs/dbraw/zinc/04/18/21/565041821.db2.gz FPYAZCCNJGJASM-UHFFFAOYSA-N 1 0 376.238 2.970 20 0 GFADRO COc1ccc(Br)c(CNC(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC000562791227 565043251 /nfs/dbraw/zinc/04/32/51/565043251.db2.gz RGISIESIXGGYCW-KRWDZBQOSA-N 1 0 382.302 2.743 20 0 GFADRO C[C@H](CNC(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)Oc1ccc(Br)cc1 ZINC000562804385 565043848 /nfs/dbraw/zinc/04/38/48/565043848.db2.gz CVCFZYXNOIMSHX-HLPPOEQASA-N 1 0 396.329 2.904 20 0 GFADRO CCC[NH+]1CCC(NC(=O)N[C@H](CO)c2ccc(Br)cc2)CC1 ZINC000504814450 565044634 /nfs/dbraw/zinc/04/46/34/565044634.db2.gz SUUFREFPBDRMJQ-MRXNPFEDSA-N 1 0 384.318 2.656 20 0 GFADRO C[C@H]([NH2+][C@@H]1CC(=O)N([C@H]2C[C@@H]2C)C1)c1ccc(I)cc1 ZINC000536879898 565048465 /nfs/dbraw/zinc/04/84/65/565048465.db2.gz WAPNAELAPSBXLO-AZHAFVHUSA-N 1 0 384.261 2.951 20 0 GFADRO Cc1csc(C(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)c1I ZINC000562979226 565050512 /nfs/dbraw/zinc/05/05/12/565050512.db2.gz WWXVYKIZJZZZNK-AWEZNQCLSA-N 1 0 390.290 2.877 20 0 GFADRO CCOCC[C@H](O)C[NH2+]C1CCN(Cc2cccc(Br)c2)CC1 ZINC000563008402 565051929 /nfs/dbraw/zinc/05/19/29/565051929.db2.gz XVTRIGJLBCKWSV-SFHVURJKSA-N 1 0 385.346 2.791 20 0 GFADRO C[C@@H]1CCN(C(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)CC[S@]1=O ZINC000563040959 565052697 /nfs/dbraw/zinc/05/26/97/565052697.db2.gz FPPSRRXFMLGBMH-HXPRZGOKSA-N 1 0 383.583 2.684 20 0 GFADRO Cc1cc(Br)cc2c1CN(C(=O)[C@H](C)C[NH+]1CCOCC1)CC2 ZINC000537170270 565053770 /nfs/dbraw/zinc/05/37/70/565053770.db2.gz INYIEQUGCFPRKI-CQSZACIVSA-N 1 0 381.314 2.611 20 0 GFADRO O=C(CSCC1CC[NH2+]CC1)Nc1ccccc1I ZINC000563081438 565055180 /nfs/dbraw/zinc/05/51/80/565055180.db2.gz OTZNXVPBQQXVLH-UHFFFAOYSA-N 1 0 390.290 2.963 20 0 GFADRO CC[NH+](CC)[C@H](CNS(=O)(=O)c1nc(C)c(C)s1)Cc1ccccc1 ZINC000470768553 565055565 /nfs/dbraw/zinc/05/55/65/565055565.db2.gz BARGXUZRFHBPPE-KRWDZBQOSA-N 1 0 381.567 2.991 20 0 GFADRO O=S(=O)(c1ccc2ccccc2c1Br)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000563129162 565056401 /nfs/dbraw/zinc/05/64/01/565056401.db2.gz DAOKWZBWQSAGED-HIFRSBDPSA-N 1 0 395.322 2.975 20 0 GFADRO CCC(CC)(CO)C[NH2+]CCS(=O)(=O)c1cccc(Br)c1 ZINC000563137585 565056870 /nfs/dbraw/zinc/05/68/70/565056870.db2.gz HOBKCZNGROALLH-UHFFFAOYSA-N 1 0 378.332 2.611 20 0 GFADRO CS(=O)(=O)[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1 ZINC000537406137 565058219 /nfs/dbraw/zinc/05/82/19/565058219.db2.gz DLFMUERNTXQLCN-KNXALSJPSA-N 1 0 388.892 2.530 20 0 GFADRO C[NH+](C)C1(C(=O)NCc2cc(Br)ccc2Br)CC1 ZINC000613632056 565076248 /nfs/dbraw/zinc/07/62/48/565076248.db2.gz ZNCAIEWPSWYDAD-UHFFFAOYSA-N 1 0 376.092 2.922 20 0 GFADRO C[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2cc(Cl)ccc2Br)C1 ZINC000584387379 565078071 /nfs/dbraw/zinc/07/80/71/565078071.db2.gz UWPVCNGJNIVKQG-JTQLQIEISA-N 1 0 381.723 2.723 20 0 GFADRO C[NH+]1CCC(N(Cc2ccccc2Br)C(=O)[C@H]2C[C@@H](O)C2)CC1 ZINC000635941526 565082699 /nfs/dbraw/zinc/08/26/99/565082699.db2.gz WUENEPFMXBWRSG-FZNQNYSPSA-N 1 0 381.314 2.643 20 0 GFADRO O=S1(=O)CC[C@@H]([NH2+][C@H]2CCc3nc[nH]c3C2)c2cc(Br)ccc21 ZINC000584499418 565083648 /nfs/dbraw/zinc/08/36/48/565083648.db2.gz KTKMSVQDFDFOAP-WCQYABFASA-N 1 0 396.310 2.538 20 0 GFADRO O=C1NC(=O)[C@]2(CCC[N@@H+](CC/C=C\c3ccc(Br)cc3)C2)N1 ZINC000584507472 565084272 /nfs/dbraw/zinc/08/42/72/565084272.db2.gz CIYQAOKTCJGFBM-DIIYHRTISA-N 1 0 378.270 2.526 20 0 GFADRO CCc1n[nH]c(C(=O)N2CCN(C)C[C@H]2c2ccccc2)c1Br ZINC000584563857 565087711 /nfs/dbraw/zinc/08/77/11/565087711.db2.gz LJOYWRYWPSCIMF-AWEZNQCLSA-N 1 0 377.286 2.864 20 0 GFADRO COc1cc(CNC(=O)C23CCC[NH+](CCC2)C3)c(Br)cc1O ZINC000636110697 565091955 /nfs/dbraw/zinc/09/19/55/565091955.db2.gz HTXITFOMONSFBN-UHFFFAOYSA-N 1 0 383.286 2.656 20 0 GFADRO C[N@H+](CC(=O)NCCCc1nc(-c2ccccn2)cs1)[C@@H]1CCSC1 ZINC000636167068 565094188 /nfs/dbraw/zinc/09/41/88/565094188.db2.gz IIXKQQTUVVLIBP-CQSZACIVSA-N 1 0 376.551 2.691 20 0 GFADRO C[NH+](C)C[C@@]1(O)CCCN(C(=O)CCOc2ccc(Cl)cc2Cl)C1 ZINC000614067737 565094602 /nfs/dbraw/zinc/09/46/02/565094602.db2.gz IILPZEUNONECSO-KRWDZBQOSA-N 1 0 375.296 2.677 20 0 GFADRO O=C(c1cccc(Cl)c1Cl)N1CCN(C(=O)[C@H]2CCCCC[NH2+]2)CC1 ZINC000584780215 565097009 /nfs/dbraw/zinc/09/70/09/565097009.db2.gz CNUUXYUCWJLJKW-OAHLLOKOSA-N 1 0 384.307 2.810 20 0 GFADRO O=C(NCCC[NH2+]Cc1cc2n(n1)CCC2)c1cccc(Br)c1 ZINC000657341670 565097411 /nfs/dbraw/zinc/09/74/11/565097411.db2.gz HUJYCACRGJQGKA-UHFFFAOYSA-N 1 0 377.286 2.502 20 0 GFADRO O=C(CC[N@@H+]1CCC[C@@H](n2ccnn2)C1)Nc1ccc(Br)cc1F ZINC000584776570 565097559 /nfs/dbraw/zinc/09/75/59/565097559.db2.gz FUARPTRCXDKTQD-CYBMUJFWSA-N 1 0 396.264 2.845 20 0 GFADRO Fc1cccc(C[NH2+]C[C@]2(N3CCOCC3)CCSC2)c1OC(F)F ZINC000657325121 565098298 /nfs/dbraw/zinc/09/82/98/565098298.db2.gz BGBAKAWUPWYDRX-QGZVFWFLSA-N 1 0 376.444 2.725 20 0 GFADRO O=C(NCC[NH2+]Cc1ccnn1CC1CC1)c1cccc(Br)c1 ZINC000657360636 565099218 /nfs/dbraw/zinc/09/92/18/565099218.db2.gz NJQLAAMOWZJQRH-UHFFFAOYSA-N 1 0 377.286 2.575 20 0 GFADRO CCc1cccc2cc(C[NH2+]C[C@@H](O)CS(=O)(=O)c3cccs3)oc21 ZINC000657415440 565099299 /nfs/dbraw/zinc/09/92/99/565099299.db2.gz JYSQQNUAHKSYEB-OAHLLOKOSA-N 1 0 379.503 2.981 20 0 GFADRO COCCOCC[N@H+](C)CCC(=O)Nc1ccc(F)c(Br)c1F ZINC000636227700 565100191 /nfs/dbraw/zinc/10/01/91/565100191.db2.gz HDNUWRMTSQAAJY-UHFFFAOYSA-N 1 0 395.244 2.651 20 0 GFADRO CCS(=O)(=O)N1CCC(C[NH2+]Cc2cccc(Br)c2F)CC1 ZINC000584819875 565100346 /nfs/dbraw/zinc/10/03/46/565100346.db2.gz XPSUTNPMIMDLRV-UHFFFAOYSA-N 1 0 393.322 2.740 20 0 GFADRO Cc1ccc(Cl)c(S(=O)(=O)N2C[C@@H](C[NH3+])C3(C2)CCOCC3)c1Cl ZINC000584839171 565101974 /nfs/dbraw/zinc/10/19/74/565101974.db2.gz HOUPWYGFQFANPR-GFCCVEGCSA-N 1 0 393.336 2.678 20 0 GFADRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)N(C)Cc1ccc(Cl)c(Cl)c1 ZINC000685310176 565103714 /nfs/dbraw/zinc/10/37/14/565103714.db2.gz GQVPIQDGOAYMQH-MEDUHNTESA-N 1 0 384.307 2.551 20 0 GFADRO Cc1ccc([C@@H](CNC(=O)CCn2cc(Br)cn2)[NH+]2CCCC2)o1 ZINC000585716601 565107031 /nfs/dbraw/zinc/10/70/31/565107031.db2.gz DKGYMNIJCOCLHM-OAHLLOKOSA-N 1 0 395.301 2.890 20 0 GFADRO COC[C@@H](CC[NH2+]Cc1ncc(Br)cc1Br)OC ZINC000657554925 565107787 /nfs/dbraw/zinc/10/77/87/565107787.db2.gz RERVECCEAJZKFZ-SNVBAGLBSA-N 1 0 382.096 2.748 20 0 GFADRO CO[C@@H]1CCC[C@H]([C@H](CO)[NH2+]Cc2cc3c(c(Br)c2)OCO3)C1 ZINC000657575456 565109889 /nfs/dbraw/zinc/10/98/89/565109889.db2.gz BOTQWVJECPYTJC-GUTXKFCHSA-N 1 0 386.286 2.834 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)c2nnc(-c3cc(Br)cn3C)n2C)[C@@H](C)C1 ZINC000685529165 565110265 /nfs/dbraw/zinc/11/02/65/565110265.db2.gz IMYZKZAUKCPHFH-JSGCOSHPSA-N 1 0 395.349 2.750 20 0 GFADRO CO[C@@](C)(C[NH2+]Cc1c(Br)cnn1C)COCc1ccccc1 ZINC000657592307 565112115 /nfs/dbraw/zinc/11/21/15/565112115.db2.gz SFWUGGWMNMEPKD-KRWDZBQOSA-N 1 0 382.302 2.894 20 0 GFADRO O=C(c1cccc(Br)c1F)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000614436130 565112145 /nfs/dbraw/zinc/11/21/45/565112145.db2.gz PADNQMRKYJBWFS-CYBMUJFWSA-N 1 0 385.277 2.915 20 0 GFADRO O=C(N[C@H]1CC[N@H+](CC2CC2)C1)C1(c2cccc(Br)c2)CC(=O)C1 ZINC000685722466 565119846 /nfs/dbraw/zinc/11/98/46/565119846.db2.gz FJMSUFGELFNGJV-INIZCTEOSA-N 1 0 391.309 2.650 20 0 GFADRO O=C1CC[C@@H](C[NH2+]Cc2cc(Br)ccc2OCc2ccccn2)N1 ZINC000657709117 565122552 /nfs/dbraw/zinc/12/25/52/565122552.db2.gz HUJAOGFFUYMLQO-HNNXBMFYSA-N 1 0 390.281 2.791 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2Cc1cn2ccc(Br)cc2n1 ZINC000685838925 565126114 /nfs/dbraw/zinc/12/61/14/565126114.db2.gz QPHFISFZGRYSDW-BRWVUGGUSA-N 1 0 393.329 2.780 20 0 GFADRO CN1C[C@H](NC(=O)N[C@@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)CCC1=O ZINC000636819333 565126113 /nfs/dbraw/zinc/12/61/13/565126113.db2.gz SFYQCHTYJBZGGQ-DOMZBBRYSA-N 1 0 387.311 2.516 20 0 GFADRO C[N@H+](CCc1cccc(Br)c1)Cc1ccc(S(N)(=O)=O)cc1 ZINC000685852130 565127457 /nfs/dbraw/zinc/12/74/57/565127457.db2.gz HKBXWRJXFWNAKI-UHFFFAOYSA-N 1 0 383.311 2.771 20 0 GFADRO CC(=O)N1CCN(CC[NH2+][C@H](C)c2ccc(Br)c(Cl)c2)CC1 ZINC000657836376 565131958 /nfs/dbraw/zinc/13/19/58/565131958.db2.gz RTFVNJYAVRSIMC-GFCCVEGCSA-N 1 0 388.737 2.917 20 0 GFADRO CC(C)[C@H](Cc1ccc(Br)cc1)[NH2+]CCCN(C)S(C)(=O)=O ZINC000657834463 565132687 /nfs/dbraw/zinc/13/26/87/565132687.db2.gz PMQBYNXIDPOBGJ-INIZCTEOSA-N 1 0 391.375 2.887 20 0 GFADRO O=C(NCCC[NH2+][C@@H]1CCCn2nccc21)c1ccc(Br)cc1 ZINC000657864612 565133674 /nfs/dbraw/zinc/13/36/74/565133674.db2.gz MVKDMEVWWRQFGJ-OAHLLOKOSA-N 1 0 377.286 2.890 20 0 GFADRO C[C@H](Cc1ccc(Cl)c(C(F)(F)F)c1)[NH2+]CC(=O)N1CCN(C)CC1 ZINC000657855711 565133927 /nfs/dbraw/zinc/13/39/27/565133927.db2.gz GHRJRULXFZERPP-GFCCVEGCSA-N 1 0 377.838 2.653 20 0 GFADRO COc1cc(F)c(S(=O)(=O)N(C)CC[N@H+](C)C2CCCCC2)c(F)c1 ZINC000588682734 565137354 /nfs/dbraw/zinc/13/73/54/565137354.db2.gz PZLOLQISHMBHPL-UHFFFAOYSA-N 1 0 376.469 2.858 20 0 GFADRO C[C@H]([NH2+]C[C@@H](O)CS(=O)(=O)c1cccs1)c1cc2ccncc2s1 ZINC000657929967 565138175 /nfs/dbraw/zinc/13/81/75/565138175.db2.gz HQSRZUPLGYSAAZ-WCQYABFASA-N 1 0 382.532 2.843 20 0 GFADRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)C(=O)Nc1cccc(Br)c1F ZINC000657953519 565139598 /nfs/dbraw/zinc/13/95/98/565139598.db2.gz PHQXOWINMJJRSY-RISCZKNCSA-N 1 0 398.276 2.612 20 0 GFADRO O=C(NCC[NH2+]C1CC1)N1CCC(Nc2cccc(Br)c2)CC1 ZINC000637318413 565150187 /nfs/dbraw/zinc/15/01/87/565150187.db2.gz XJOANEYKGXHMNN-UHFFFAOYSA-N 1 0 381.318 2.787 20 0 GFADRO C[C@H]([NH2+]CCNC(=O)c1ccc(Br)cn1)c1ccncc1Cl ZINC000658096537 565150150 /nfs/dbraw/zinc/15/01/50/565150150.db2.gz RBXJQPKTOOYFJU-JTQLQIEISA-N 1 0 383.677 2.973 20 0 GFADRO Cc1c(Br)cccc1NC(=O)C(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000658119912 565150410 /nfs/dbraw/zinc/15/04/10/565150410.db2.gz NXPIOGYAHNXEDF-CYBMUJFWSA-N 1 0 396.329 2.933 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)C(=O)Nc1ccc(F)c(Br)c1 ZINC000658127416 565151904 /nfs/dbraw/zinc/15/19/04/565151904.db2.gz UBIVJUHEBLLWHA-LLVKDONJSA-N 1 0 386.265 2.516 20 0 GFADRO CC1(C)C[C@H]([NH2+]C[C@]2(OCCO)CCOC2)c2cc(Br)ccc21 ZINC000658144084 565152909 /nfs/dbraw/zinc/15/29/09/565152909.db2.gz KMMKNNSWMFUZEB-FUHWJXTLSA-N 1 0 384.314 2.929 20 0 GFADRO CC[C@@H](CCc1ccc(Br)cc1)[NH2+]C[C@@]1(OCCO)CCOC1 ZINC000658150198 565152963 /nfs/dbraw/zinc/15/29/63/565152963.db2.gz YMYRAFQHAIFQNE-ROUUACIJSA-N 1 0 386.330 2.918 20 0 GFADRO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)C1(c2cccc(Br)c2)CC(=O)C1 ZINC000615306191 565156466 /nfs/dbraw/zinc/15/64/66/565156466.db2.gz ZUULVZRYIDROTG-WBMJQRKESA-N 1 0 379.298 2.601 20 0 GFADRO C[C@@H]([NH2+]CCCc1ccco1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000658325805 565159909 /nfs/dbraw/zinc/15/99/09/565159909.db2.gz SKLCJOUUMWAXEZ-LLVKDONJSA-N 1 0 387.299 2.973 20 0 GFADRO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@H]1CCN1Cc1ccccc1 ZINC000658349016 565159911 /nfs/dbraw/zinc/15/99/11/565159911.db2.gz QTIJGDLCHZGANF-MAUKXSAKSA-N 1 0 390.325 2.863 20 0 GFADRO C[C@H]([NH2+]CC1(O)CCC(F)(F)CC1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000658323585 565160190 /nfs/dbraw/zinc/16/01/90/565160190.db2.gz SPQYRNAGOQMSEP-ZDUSSCGKSA-N 1 0 376.469 2.528 20 0 GFADRO C[C@@H]1CN(C(=O)c2nn(C(C)(C)C)cc2Br)CC[N@@H+](C2CC2)C1 ZINC000615451563 565161035 /nfs/dbraw/zinc/16/10/35/565161035.db2.gz QLVRBINDLKTJFA-LBPRGKRZSA-N 1 0 383.334 2.957 20 0 GFADRO C[C@H](NS(=O)(=O)c1cc(Cl)cc(Br)c1)[C@H]1CCC[NH2+]C1 ZINC000658364636 565161760 /nfs/dbraw/zinc/16/17/60/565161760.db2.gz DPVJMRWXFGNOTR-UWVGGRQHSA-N 1 0 381.723 2.769 20 0 GFADRO CC[C@@H]1CN(S(=O)(=O)c2cc(Cl)cc(Br)c2)CC[C@@H]1[NH3+] ZINC000658376560 565163467 /nfs/dbraw/zinc/16/34/67/565163467.db2.gz UUQZXRJTLWYYKF-RNCFNFMXSA-N 1 0 381.723 2.850 20 0 GFADRO C[NH+](C)CCOc1ccccc1CNC(=O)c1ccc(Br)cn1 ZINC000589476311 565164377 /nfs/dbraw/zinc/16/43/77/565164377.db2.gz NSLJKOKTDNQCIQ-UHFFFAOYSA-N 1 0 378.270 2.715 20 0 GFADRO CCCOc1ccc(Br)cc1S(=O)(=O)N[C@H]1CCC[NH2+]CC1 ZINC000658378193 565164586 /nfs/dbraw/zinc/16/45/86/565164586.db2.gz NXFZWYCRRMQVJZ-ZDUSSCGKSA-N 1 0 391.331 2.658 20 0 GFADRO CCCOc1ccc(Br)cc1S(=O)(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000658378580 565164753 /nfs/dbraw/zinc/16/47/53/565164753.db2.gz UOZHINJLXWKBPV-WCQYABFASA-N 1 0 391.331 2.514 20 0 GFADRO CCC[NH2+]CCNS(=O)(=O)c1cc(Br)ccc1OCCC ZINC000658378232 565164933 /nfs/dbraw/zinc/16/49/33/565164933.db2.gz SNKYHBIWDZIAAU-UHFFFAOYSA-N 1 0 379.320 2.516 20 0 GFADRO O=S(=O)(c1c(F)c(F)cc(F)c1F)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000658387669 565167041 /nfs/dbraw/zinc/16/70/41/565167041.db2.gz YMWHCFGQVJDSTP-NSHDSACASA-N 1 0 380.407 2.643 20 0 GFADRO Cn1nc2cc(Br)ccc2c1C(=O)N1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000615603160 565167530 /nfs/dbraw/zinc/16/75/30/565167530.db2.gz FSBDEBWGCXVMMT-GOSISDBHSA-N 1 0 391.313 2.894 20 0 GFADRO Cc1cc(S(=O)(=O)N[C@H]2CC[NH2+]C3(CCC3)C2)c(F)cc1Br ZINC000658402614 565167821 /nfs/dbraw/zinc/16/78/21/565167821.db2.gz SWAVIBPUZIMZSD-NSHDSACASA-N 1 0 391.306 2.850 20 0 GFADRO C[NH2+]C[C@@H](C)NS(=O)(=O)c1c(Cl)cc(Br)cc1Cl ZINC000658408736 565168320 /nfs/dbraw/zinc/16/83/20/565168320.db2.gz NJOKPWPDDMTYOW-ZCFIWIBFSA-N 1 0 376.103 2.642 20 0 GFADRO C[C@@H](CCNC(=O)C(=O)Nc1cc(F)c(Br)cc1Cl)[NH+](C)C ZINC000658429077 565169386 /nfs/dbraw/zinc/16/93/86/565169386.db2.gz PFSVTXHKKWJNOF-QMMMGPOBSA-N 1 0 394.672 2.637 20 0 GFADRO C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)COc1ccc(F)cc1Br)C2 ZINC000615626033 565169492 /nfs/dbraw/zinc/16/94/92/565169492.db2.gz KHUBOVHSDNJPNR-KRWDZBQOSA-N 1 0 385.277 2.911 20 0 GFADRO CCN(C(=O)C(=O)Nc1cc(Br)ccc1C)[C@H]1CC[N@H+](CC)C1 ZINC000658467524 565171496 /nfs/dbraw/zinc/17/14/96/565171496.db2.gz OAMPGIOYTYGQSU-AWEZNQCLSA-N 1 0 382.302 2.639 20 0 GFADRO [NH3+]CCCOC1CCN(C(=O)[C@H]2[C@@H]3c4ccc(Br)cc4C[C@H]23)CC1 ZINC000637864241 565174366 /nfs/dbraw/zinc/17/43/66/565174366.db2.gz JTFTVNSAAAVGRY-RCCFBDPRSA-N 1 0 393.325 2.691 20 0 GFADRO COC[C@]1(C(=O)Nc2nnc(SCc3ccccc3)s2)CCCC[NH2+]1 ZINC000637874752 565175588 /nfs/dbraw/zinc/17/55/88/565175588.db2.gz GQKCAEZQIXYMPY-KRWDZBQOSA-N 1 0 378.523 2.928 20 0 GFADRO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)CSCc2ccc(Br)cc2F)C1 ZINC000590044657 565176152 /nfs/dbraw/zinc/17/61/52/565176152.db2.gz KUQJXYKPKVOEEG-NHYWBVRUSA-N 1 0 387.318 2.984 20 0 GFADRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(Cc2ccc(S(N)(=O)=O)c(Cl)c2)C1 ZINC000637950167 565177155 /nfs/dbraw/zinc/17/71/55/565177155.db2.gz BTDKXGZHFVWJRS-FMKPAKJESA-N 1 0 385.961 2.825 20 0 GFADRO COc1ccc(NC(=O)[C@@H](N)C[N@H+](C)Cc2ccccc2)c(Br)c1 ZINC000637974805 565179268 /nfs/dbraw/zinc/17/92/68/565179268.db2.gz SZJIXTBRVSHKHV-INIZCTEOSA-N 1 0 392.297 2.856 20 0 GFADRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)c2cc3c(cccc3Cl)s2)C1 ZINC000590317504 565184057 /nfs/dbraw/zinc/18/40/57/565184057.db2.gz TWWVISUFBAALPY-GFCCVEGCSA-N 1 0 379.913 2.872 20 0 GFADRO C[C@H](C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1c(Cl)cccc1Cl ZINC000590315901 565184170 /nfs/dbraw/zinc/18/41/70/565184170.db2.gz JZJKTRQINPNEKW-STQMWFEESA-N 1 0 386.323 2.801 20 0 GFADRO CC(C)([NH2+]CCn1nc2ccccn2c1=O)c1ccc(Br)cc1 ZINC000616011087 565184717 /nfs/dbraw/zinc/18/47/17/565184717.db2.gz ZLDAIVDKRXYMHQ-UHFFFAOYSA-N 1 0 375.270 2.783 20 0 GFADRO O=C(c1cc(Br)cc2nc[nH]c21)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000638140647 565186598 /nfs/dbraw/zinc/18/65/98/565186598.db2.gz AIISILFDPHCYBL-SMDDNHRTSA-N 1 0 377.286 2.930 20 0 GFADRO O=C(c1ccc2cncc(Br)c2n1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000638232998 565188972 /nfs/dbraw/zinc/18/89/72/565188972.db2.gz DATMPQSSJSDOMP-QGZVFWFLSA-N 1 0 375.270 2.608 20 0 GFADRO COCCOc1c(Cl)cc(NC(=O)[C@]2(C)C[C@H](OC)C[NH2+]2)cc1Cl ZINC000638304784 565191088 /nfs/dbraw/zinc/19/10/88/565191088.db2.gz UJQWIXQRGRPJRO-ZBEGNZNMSA-N 1 0 377.268 2.724 20 0 GFADRO NS(=O)(=O)c1ccc(CNCc2ccc(C[NH+]3CCCCC3)cc2)s1 ZINC000638312429 565191609 /nfs/dbraw/zinc/19/16/09/565191609.db2.gz GBOMFFRRKAKZOS-UHFFFAOYSA-N 1 0 379.551 2.671 20 0 GFADRO C[C@H](CN1CCOCC1)[NH2+][C@@H]1CCN(C)[C@@H](c2ccc(Br)cc2)C1 ZINC000638368314 565193655 /nfs/dbraw/zinc/19/36/55/565193655.db2.gz VYTWCHMCUUPKKC-ATZDWAIDSA-N 1 0 396.373 2.895 20 0 GFADRO Brc1cnc2c(C[NH2+]Cc3ccc(N4CCCC4)nc3)cnn2c1 ZINC000638355979 565194315 /nfs/dbraw/zinc/19/43/15/565194315.db2.gz KXKYBONXVGSTCB-UHFFFAOYSA-N 1 0 387.285 2.777 20 0 GFADRO O=C(Cc1ccc(Br)c(Br)c1)NC[C@@H]1CCC[NH2+]C1 ZINC000658930674 565195521 /nfs/dbraw/zinc/19/55/21/565195521.db2.gz NETRYYWZMKYZHE-LLVKDONJSA-N 1 0 390.119 2.870 20 0 GFADRO Nc1c(Cl)cc(Cl)cc1C[NH2+]C[C@@]1(N2CCOCC2)CCSC1 ZINC000638409737 565195525 /nfs/dbraw/zinc/19/55/25/565195525.db2.gz RBDBLPOSCSUOHQ-INIZCTEOSA-N 1 0 376.353 2.873 20 0 GFADRO [NH3+][C@@H]1CN(C(=O)c2ccncc2Br)CC[C@@H]1c1cccc(F)c1 ZINC000658947574 565196341 /nfs/dbraw/zinc/19/63/41/565196341.db2.gz PAVOFFQLGLBPCA-CZUORRHYSA-N 1 0 378.245 2.940 20 0 GFADRO CO[C@@]1(C[NH2+]CC2(c3ccc(Br)cc3)CCOCC2)CCOC1 ZINC000638481618 565197663 /nfs/dbraw/zinc/19/76/63/565197663.db2.gz LSUWNGOCMDGILK-GOSISDBHSA-N 1 0 384.314 2.892 20 0 GFADRO COCCOc1ccc(Br)cc1NC(=O)NCC[C@@H]([NH3+])C(C)C ZINC000659006447 565198315 /nfs/dbraw/zinc/19/83/15/565198315.db2.gz AKTSUOMJYDHLOI-CYBMUJFWSA-N 1 0 388.306 2.969 20 0 GFADRO O=C(c1cc([C@@H]2CC[NH2+]C2)[nH]n1)N1CC2(CC2)c2ccc(Br)cc21 ZINC000638535771 565200120 /nfs/dbraw/zinc/20/01/20/565200120.db2.gz FKJDEGQRFJAWSA-LLVKDONJSA-N 1 0 387.281 2.941 20 0 GFADRO CN(CC(C)(C)C[NH3+])C(=O)C(=O)N1CC(C)(C)c2ccc(Br)cc21 ZINC000659081098 565200830 /nfs/dbraw/zinc/20/08/30/565200830.db2.gz LCYXFNCZWAKPAZ-UHFFFAOYSA-N 1 0 396.329 2.517 20 0 GFADRO CCO[C@@H]1C[C@]([NH3+])(C(=O)NCc2cc(F)c(Br)cc2F)C1(C)C ZINC000638600282 565203759 /nfs/dbraw/zinc/20/37/59/565203759.db2.gz UKNWFQKTFOMINP-CJNGLKHVSA-N 1 0 391.256 2.876 20 0 GFADRO [NH3+]CC1(NC(=O)c2cc(Br)sc2Br)CCOCC1 ZINC000638633940 565205085 /nfs/dbraw/zinc/20/50/85/565205085.db2.gz HAWMQMJZZJBAGX-UHFFFAOYSA-N 1 0 398.120 2.511 20 0 GFADRO C[C@@H]1CC[C@H](NC(=O)C2(c3ccc(Br)cc3)CCOCC2)C[NH2+]1 ZINC000638647709 565205713 /nfs/dbraw/zinc/20/57/13/565205713.db2.gz INARZHYSNZYDPH-CJNGLKHVSA-N 1 0 381.314 2.754 20 0 GFADRO COc1cc(CC[NH2+]Cc2cnn3cc(Br)cnc23)ccc1O ZINC000638636085 565205875 /nfs/dbraw/zinc/20/58/75/565205875.db2.gz NHGQIVWEGCNETL-UHFFFAOYSA-N 1 0 377.242 2.538 20 0 GFADRO C[C@@H]1CC[C@H](NC(=O)c2nn(-c3ccc(F)cc3)cc2Br)C[NH2+]1 ZINC000638643845 565206013 /nfs/dbraw/zinc/20/60/13/565206013.db2.gz COBXEZFWMICYTB-PWSUYJOCSA-N 1 0 381.249 2.644 20 0 GFADRO COc1nsc(C[NH2+][C@H]2CCC[C@@H](C(=O)N(C)C)C2)c1Br ZINC000638634447 565206095 /nfs/dbraw/zinc/20/60/95/565206095.db2.gz HAIDVQQSTYNEMI-ZJUUUORDSA-N 1 0 376.320 2.651 20 0 GFADRO O=C(N[C@H]1CCC[N@@H+]2CCCC[C@H]12)c1cc(Br)cc2[nH]c(=O)[nH]c21 ZINC000616715845 565206932 /nfs/dbraw/zinc/20/69/32/565206932.db2.gz SAJGEYOLLMHUDS-GXTWGEPZSA-N 1 0 393.285 2.778 20 0 GFADRO C[C@@H]1C[C@H](c2ccc(Br)cc2)CN1C(=O)c1cnc(C[NH3+])nc1 ZINC000638697702 565208321 /nfs/dbraw/zinc/20/83/21/565208321.db2.gz DVJNZFIGDLICCW-YPMHNXCESA-N 1 0 375.270 2.716 20 0 GFADRO C[C@@H](C[NH2+]Cc1ccc(S(N)(=O)=O)cc1)Oc1ccc(Br)cc1 ZINC000638697190 565208443 /nfs/dbraw/zinc/20/84/43/565208443.db2.gz FRIAKKIFHAJNPU-LBPRGKRZSA-N 1 0 399.310 2.654 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2sc3c(c2Br)CNC3)[C@@H](C)C1 ZINC000659260835 565209119 /nfs/dbraw/zinc/20/91/19/565209119.db2.gz QSEGRGBDNJEVLF-CMPLNLGQSA-N 1 0 386.359 2.916 20 0 GFADRO [NH3+][C@@H]1CCCN(C(=O)Cc2ccc(Br)c(Br)c2)C1 ZINC000659248877 565209287 /nfs/dbraw/zinc/20/92/87/565209287.db2.gz OSQZUYHZFHROBV-SNVBAGLBSA-N 1 0 376.092 2.704 20 0 GFADRO O=C1C[C@@H]([NH2+][C@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)CCCN1 ZINC000638759122 565209641 /nfs/dbraw/zinc/20/96/41/565209641.db2.gz FVUOMSSJPOIDPU-RYUDHWBXSA-N 1 0 376.810 2.591 20 0 GFADRO O=C(CCc1ccc(Br)cc1)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000638778885 565210158 /nfs/dbraw/zinc/21/01/58/565210158.db2.gz NYMVJDXDPFFJBD-SFHVURJKSA-N 1 0 395.341 2.999 20 0 GFADRO Brc1cnc2c(C[NH2+][C@H]3CCO[C@@]4(CCSC4)C3)cnn2c1 ZINC000638776001 565210587 /nfs/dbraw/zinc/21/05/87/565210587.db2.gz LBAMABDLLCVAHQ-ZFWWWQNUSA-N 1 0 383.315 2.636 20 0 GFADRO Nc1c(Cl)cc(Cl)cc1C[NH2+]C[C@@H](O)CS(=O)(=O)c1cccs1 ZINC000638772939 565210654 /nfs/dbraw/zinc/21/06/54/565210654.db2.gz BTXQQHOXSRNERX-LLVKDONJSA-N 1 0 395.333 2.562 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)C1([NH3+])CC2(CCC2)C1 ZINC000659293217 565210831 /nfs/dbraw/zinc/21/08/31/565210831.db2.gz VQJFZWITKHZEPN-UHFFFAOYSA-N 1 0 394.313 2.864 20 0 GFADRO [NH3+]C1(C(=O)Nc2ncn(Cc3cccc(Br)c3)n2)CC2(CCC2)C1 ZINC000659277224 565210927 /nfs/dbraw/zinc/21/09/27/565210927.db2.gz ZDZCOJNNYJORIZ-UHFFFAOYSA-N 1 0 390.285 2.689 20 0 GFADRO C[C@@H]([NH2+]Cc1cnn2cc(Br)cnc12)[C@@H](O)Cc1ccccc1 ZINC000638785778 565211440 /nfs/dbraw/zinc/21/14/40/565211440.db2.gz ZVYZUCVMZFJNHY-WBMJQRKESA-N 1 0 375.270 2.574 20 0 GFADRO O=S1(=O)CCC(CC[NH2+]Cc2nc3cc(Br)ccc3o2)CC1 ZINC000638800825 565211452 /nfs/dbraw/zinc/21/14/52/565211452.db2.gz ZYLUIDNUDVVTBU-UHFFFAOYSA-N 1 0 387.299 2.895 20 0 GFADRO O=C(Cc1ccc(Br)c(F)c1)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000638793303 565211530 /nfs/dbraw/zinc/21/15/30/565211530.db2.gz ZLMAEEHLDGSHFR-HNNXBMFYSA-N 1 0 399.304 2.748 20 0 GFADRO CC[NH2+][C@H](C)CNC(=O)Cc1ccc(Br)c(Br)c1 ZINC000659307531 565211566 /nfs/dbraw/zinc/21/15/66/565211566.db2.gz ORBRKZCUYGVSJT-SECBINFHSA-N 1 0 378.108 2.868 20 0 GFADRO COC[C@]1(CNC(=O)c2cc(-c3ccc(Br)cc3)no2)CCC[NH2+]1 ZINC000659307485 565211827 /nfs/dbraw/zinc/21/18/27/565211827.db2.gz NVRKKAHKLHVIIQ-QGZVFWFLSA-N 1 0 394.269 2.603 20 0 GFADRO C[C@@H](CCc1ccc(I)cc1)[NH2+]C[C@H]1CCCNC1=O ZINC000590971810 565212177 /nfs/dbraw/zinc/21/21/77/565212177.db2.gz NVPQKHLRXWWUSP-GXTWGEPZSA-N 1 0 386.277 2.728 20 0 GFADRO CN(C[C@H](O)COc1cc(Cl)cc(Cl)c1)C(=O)CC1CC[NH2+]CC1 ZINC000638827452 565212632 /nfs/dbraw/zinc/21/26/32/565212632.db2.gz LETIWEHXKGMEAH-HNNXBMFYSA-N 1 0 375.296 2.581 20 0 GFADRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)Cc1ccc(Br)c(Br)c1 ZINC000659315806 565212843 /nfs/dbraw/zinc/21/28/43/565212843.db2.gz VDVCROGVJNOGSV-UFBFGSQYSA-N 1 0 376.092 2.702 20 0 GFADRO COC(=O)[C@@H]1CCC[C@@H]1[NH2+]CCC(=O)Nc1ccc(Br)cc1F ZINC000591039418 565213019 /nfs/dbraw/zinc/21/30/19/565213019.db2.gz IYONHEYDEHMRDY-YPMHNXCESA-N 1 0 387.249 2.848 20 0 GFADRO [NH3+]CC1(CC(=O)N2CC3(CCOCC3)c3ccc(Br)cc32)CC1 ZINC000638841951 565214519 /nfs/dbraw/zinc/21/45/19/565214519.db2.gz HLGMESUPVIWBDQ-UHFFFAOYSA-N 1 0 379.298 2.973 20 0 GFADRO N[C@H](C(=O)NCC[C@@H]([NH3+])Cc1ccccc1)c1ccccc1Br ZINC000638878254 565215728 /nfs/dbraw/zinc/21/57/28/565215728.db2.gz ALVPLORGXNQOOG-PBHICJAKSA-N 1 0 376.298 2.525 20 0 GFADRO COc1cc(NC(=O)C[NH2+]C[C@@H]2CCCO2)c(Cl)cc1Br ZINC000659382379 565215765 /nfs/dbraw/zinc/21/57/65/565215765.db2.gz OQCPTEURLFGQOL-VIFPVBQESA-N 1 0 377.666 2.818 20 0 GFADRO C[NH2+][C@@H](C)C(=O)N1CCc2cc(Br)c(Br)cc2C1 ZINC000659382115 565215858 /nfs/dbraw/zinc/21/58/58/565215858.db2.gz KSIGLAOKVMMMEH-QMMMGPOBSA-N 1 0 376.092 2.704 20 0 GFADRO CC1([NH+]2CCCC2)CCN(C(=O)[C@@H](N)c2ccccc2Br)CC1 ZINC000638860860 565215877 /nfs/dbraw/zinc/21/58/77/565215877.db2.gz IOHJSYIAPXQSBN-INIZCTEOSA-N 1 0 380.330 2.926 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+][C@@H]2CCN(c3ccc(F)c(Cl)c3)C2)s1 ZINC000638909565 565216850 /nfs/dbraw/zinc/21/68/50/565216850.db2.gz VYZWQJCKLIEWFX-SNVBAGLBSA-N 1 0 389.905 2.557 20 0 GFADRO CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)N1CC2CC1(C[NH3+])C2 ZINC000659478829 565217843 /nfs/dbraw/zinc/21/78/43/565217843.db2.gz USNWZWIJUCJYDV-PHZWHPFASA-N 1 0 382.302 2.658 20 0 GFADRO C[C@H](NC(=O)N1CCOC[C@H]1c1ccc(Br)cc1)[C@@H]1CCC[NH2+]C1 ZINC000659512820 565219062 /nfs/dbraw/zinc/21/90/62/565219062.db2.gz WLVXUQSPKIEDKI-LXZKKBNFSA-N 1 0 396.329 2.920 20 0 GFADRO Cn1nc2cc(Br)ccc2c1C(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000617005231 565219104 /nfs/dbraw/zinc/21/91/04/565219104.db2.gz DUHBPOOTTBYZKP-LBPRGKRZSA-N 1 0 379.302 2.938 20 0 GFADRO CCC([NH3+])(CC)CNC(=O)N1CCN(c2ccc(Br)cc2)CC1 ZINC000659522478 565219318 /nfs/dbraw/zinc/21/93/18/565219318.db2.gz KUJVRZYXMMRRAY-UHFFFAOYSA-N 1 0 383.334 2.798 20 0 GFADRO O=C(Nc1cc(N2CC[NH2+]CC2)ccn1)c1ccc(Br)cc1F ZINC000638987273 565219690 /nfs/dbraw/zinc/21/96/90/565219690.db2.gz OBHRPQKRCLIHLL-UHFFFAOYSA-N 1 0 379.233 2.645 20 0 GFADRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N1CCOC[C@H]1c1ccc(Br)cc1 ZINC000659538462 565219911 /nfs/dbraw/zinc/21/99/11/565219911.db2.gz OCNILPFKXJRSIB-WQVCFCJDSA-N 1 0 382.302 2.530 20 0 GFADRO O=C(NCCC[C@H]1CCC[NH2+]1)N1CCN(c2ccc(Br)cc2)CC1 ZINC000659552036 565219975 /nfs/dbraw/zinc/21/99/75/565219975.db2.gz NOALYLDZPGBMSI-MRXNPFEDSA-N 1 0 395.345 2.813 20 0 GFADRO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)Nc1ccc(I)cc1C ZINC000591271960 565220865 /nfs/dbraw/zinc/22/08/65/565220865.db2.gz PKAPTYMMEQKKCY-JQWIXIFHSA-N 1 0 391.228 2.763 20 0 GFADRO C[C@H](CNC(=O)[C@@H]([NH3+])c1cccc(Cl)c1)c1ccc(S(C)(=O)=O)cc1 ZINC000639017977 565221004 /nfs/dbraw/zinc/22/10/04/565221004.db2.gz RMAUBMUNZMFHTB-PXAZEXFGSA-N 1 0 380.897 2.663 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)N[C@@H]2CCCCc3cc(Br)ccc32)CCCO1 ZINC000659627755 565221184 /nfs/dbraw/zinc/22/11/84/565221184.db2.gz ISBLIOPVJVKWEU-NVXWUHKLSA-N 1 0 396.329 2.976 20 0 GFADRO CCO[C@@H]1CN(C(=O)N[C@@H](CC)Cc2ccc(Br)cc2)C[C@H]1C[NH3+] ZINC000659623490 565221205 /nfs/dbraw/zinc/22/12/05/565221205.db2.gz DKUJPTJCQKHZQB-HYVNUMGLSA-N 1 0 398.345 2.775 20 0 GFADRO O=C(NCC12CC(C1)C[NH2+]2)N1CC=C(c2cccc(Br)c2)CC1 ZINC000659616959 565221603 /nfs/dbraw/zinc/22/16/03/565221603.db2.gz YUXJQUWMYKWWHR-UHFFFAOYSA-N 1 0 376.298 3.000 20 0 GFADRO COC(=O)c1cc(NC(=O)NCC[C@H]2CCC[NH2+]2)c(Br)cc1F ZINC000591287450 565221780 /nfs/dbraw/zinc/22/17/80/565221780.db2.gz XZNWJOPIGYSNNK-SECBINFHSA-N 1 0 388.237 2.638 20 0 GFADRO C[NH2+][C@H]1CCCN(C(=O)Nc2cc(C(=O)OC)c(F)cc2Br)C1 ZINC000591287464 565221932 /nfs/dbraw/zinc/22/19/32/565221932.db2.gz ZVWZGDYQNPZFSA-VIFPVBQESA-N 1 0 388.237 2.591 20 0 GFADRO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N1CCC[C@H]1c1cccc(Br)c1 ZINC000659745068 565222886 /nfs/dbraw/zinc/22/28/86/565222886.db2.gz VLBIVBFXGWNECI-CVEARBPZSA-N 1 0 396.329 2.602 20 0 GFADRO O=C(Nc1cccc(F)c1I)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000591293983 565222983 /nfs/dbraw/zinc/22/29/83/565222983.db2.gz ICCSYOVFEDREAR-JOYOIKCWSA-N 1 0 389.212 2.646 20 0 GFADRO Cc1cc(Br)cn2cc(CC[NH2+]CCCc3cnn(C)c3)nc12 ZINC000639062107 565223041 /nfs/dbraw/zinc/22/30/41/565223041.db2.gz QSOFAAYGXJNDLC-UHFFFAOYSA-N 1 0 376.302 2.904 20 0 GFADRO Nc1ncc(C[NH2+][C@@H](CC2CC2)c2cc(F)cc(Br)c2)c(N)n1 ZINC000639075730 565224353 /nfs/dbraw/zinc/22/43/53/565224353.db2.gz LHDGZFNXDWVNEX-AWEZNQCLSA-N 1 0 380.265 2.834 20 0 GFADRO CO[C@@H](C[N@H+](CCO)Cc1cc(Br)cs1)C1CCOCC1 ZINC000639104805 565225711 /nfs/dbraw/zinc/22/57/11/565225711.db2.gz DGPVHRGIVCKKBF-HNNXBMFYSA-N 1 0 378.332 2.747 20 0 GFADRO CC(C)[N@H+](CCN1C(=O)CN(C)C1=O)Cc1cc(Br)ccc1F ZINC000659858548 565226615 /nfs/dbraw/zinc/22/66/15/565226615.db2.gz FJQGWVTUVHSTIE-UHFFFAOYSA-N 1 0 386.265 2.693 20 0 GFADRO FC(F)(F)c1ccc(I)c(N2CC[C@H]3CC[NH2+][C@H]3C2)n1 ZINC000591439864 565230747 /nfs/dbraw/zinc/23/07/47/565230747.db2.gz ZFNGZYBZFHVFLC-SCZZXKLOSA-N 1 0 397.182 2.893 20 0 GFADRO CC[N@@H+]1CCN(C(=O)Nc2cccc(C(=O)OC)c2Br)C[C@@H]1C ZINC000617297626 565231016 /nfs/dbraw/zinc/23/10/16/565231016.db2.gz CDWOLZUMOBQMKT-NSHDSACASA-N 1 0 384.274 2.794 20 0 GFADRO COc1nsc(C[NH2+][C@@H]2CCC[C@@H]3CN(C(C)=O)C[C@@H]32)c1Br ZINC000639187059 565232007 /nfs/dbraw/zinc/23/20/07/565232007.db2.gz YSAFJBKSYUPLPI-GRYCIOLGSA-N 1 0 388.331 2.651 20 0 GFADRO C[N@H+](CC[C@@H]1Sc2ccccc2NC1=O)CC(=O)NCc1cccs1 ZINC000659923680 565232577 /nfs/dbraw/zinc/23/25/77/565232577.db2.gz VQIVFKRTPSPGPR-INIZCTEOSA-N 1 0 375.519 2.799 20 0 GFADRO COc1ccc(Br)cc1C[C@H](CO)C[NH2+]CCCc1cnn(C)c1 ZINC000639237377 565234714 /nfs/dbraw/zinc/23/47/14/565234714.db2.gz DFUAQXMDSGMCED-HNNXBMFYSA-N 1 0 396.329 2.565 20 0 GFADRO NS(=O)(=O)c1ccc(C[N@@H+]2CC3(CCOCC3)[C@@H]3CCC[C@@H]32)cc1Cl ZINC000639246271 565234751 /nfs/dbraw/zinc/23/47/51/565234751.db2.gz NVISPIHWCKRTPF-ZBFHGGJFSA-N 1 0 384.929 2.769 20 0 GFADRO Cc1c(Br)cccc1C[C@@H](CO)C[NH2+]CCCc1cnn(C)c1 ZINC000639238228 565235240 /nfs/dbraw/zinc/23/52/40/565235240.db2.gz RAPKASBJIHRONE-MRXNPFEDSA-N 1 0 380.330 2.864 20 0 GFADRO NS(=O)(=O)c1ccc(C[N@@H+]2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)s1 ZINC000639256492 565236231 /nfs/dbraw/zinc/23/62/31/565236231.db2.gz IRVKJDGOZUIKIU-GFCCVEGCSA-N 1 0 398.472 2.577 20 0 GFADRO [NH3+][C@H]1CCC[C@@H](CNC(=O)c2c(F)cccc2I)C1 ZINC000591685070 565236228 /nfs/dbraw/zinc/23/62/28/565236228.db2.gz GOUFIJRQNBDHAX-ZJUUUORDSA-N 1 0 376.213 2.678 20 0 GFADRO Cc1csc(C(=O)N2CCC[C@H](C)[C@@H]2C[NH3+])c1I ZINC000591676390 565236750 /nfs/dbraw/zinc/23/67/50/565236750.db2.gz PDLLRJLMSUOROR-WPRPVWTQSA-N 1 0 378.279 2.861 20 0 GFADRO CN1CC[C@H]([NH2+]CC[C@@]2(O)CCOC2)C[C@H]1c1ccc(Br)cc1 ZINC000639296964 565237796 /nfs/dbraw/zinc/23/77/96/565237796.db2.gz SNTKNQUDLSEPHH-OKZBNKHCSA-N 1 0 383.330 2.716 20 0 GFADRO COC(=O)C1CCC([NH2+]C[C@H](O)COc2cccc(Br)c2)CC1 ZINC000591736079 565237990 /nfs/dbraw/zinc/23/79/90/565237990.db2.gz IJDCONAEDZCVAE-ZALBZXLWSA-N 1 0 386.286 2.510 20 0 GFADRO Cn1cnc(CCC[NH2+][C@@H]2CCN(C)[C@@H](c3ccc(Br)cc3)C2)n1 ZINC000639299253 565238180 /nfs/dbraw/zinc/23/81/80/565238180.db2.gz RVKKVYKSGGDTBF-IAGOWNOFSA-N 1 0 392.345 2.935 20 0 GFADRO C[S@](=O)c1ccc(C[NH2+]C[C@H](O)COc2ccc(Br)cc2)cc1 ZINC000591750160 565238804 /nfs/dbraw/zinc/23/88/04/565238804.db2.gz UWVVRCATVMPMSS-WNSKOXEYSA-N 1 0 398.322 2.716 20 0 GFADRO CCC[N@@H+]1CC[C@@H](NS(=O)(=O)c2cc(Cl)ccc2Br)C1 ZINC000660027772 565240453 /nfs/dbraw/zinc/24/04/53/565240453.db2.gz OVEHEIVISPZUSU-LLVKDONJSA-N 1 0 381.723 2.865 20 0 GFADRO Cc1ccc(CN(CC[NH+](C)C)S(=O)(=O)c2cc(F)c(F)cc2F)o1 ZINC000591816554 565240837 /nfs/dbraw/zinc/24/08/37/565240837.db2.gz IEQUNUBKEFOJDV-UHFFFAOYSA-N 1 0 376.400 2.758 20 0 GFADRO CC(=O)N1CC[C@@H]([NH2+][C@H]2CCN(C)[C@H](c3ccc(Br)cc3)C2)C1 ZINC000639341816 565241148 /nfs/dbraw/zinc/24/11/48/565241148.db2.gz VIDTVRWRDHQNSC-KSZLIROESA-N 1 0 380.330 2.795 20 0 GFADRO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)c1cc(Br)c(F)cc1F ZINC000617506931 565244216 /nfs/dbraw/zinc/24/42/16/565244216.db2.gz COTVFJKAJOQNOI-NSHDSACASA-N 1 0 392.288 2.729 20 0 GFADRO O=C1CCCN1C1CC[NH+](C[C@@H](O)COc2cc(Cl)cc(Cl)c2)CC1 ZINC000639476190 565248378 /nfs/dbraw/zinc/24/83/78/565248378.db2.gz BFJKEFRXVRLDLD-MRXNPFEDSA-N 1 0 387.307 2.820 20 0 GFADRO COCC[N@@H+]1CCC[C@H](NC(=O)Cc2sc(C)nc2-c2cccs2)C1 ZINC000592095119 565256224 /nfs/dbraw/zinc/25/62/24/565256224.db2.gz IRKMOEQWCMSQAU-AWEZNQCLSA-N 1 0 379.551 2.950 20 0 GFADRO OCC1([C@H]([NH2+]Cc2cn3cc(Br)ccc3n2)[C@H]2CCCO2)CCC1 ZINC000639769963 565258312 /nfs/dbraw/zinc/25/83/12/565258312.db2.gz YRETUNHDOILMOE-NVXWUHKLSA-N 1 0 394.313 2.897 20 0 GFADRO CO[C@@H]1CS(=O)(=O)C[C@@H]1N[C@@H](C)c1sc(-c2ccc(C)cc2)nc1C ZINC000660267804 565268788 /nfs/dbraw/zinc/26/87/88/565268788.db2.gz WJLHSCLXRZDLAH-VBNZEHGJSA-N 1 0 380.535 2.890 20 0 GFADRO CCC[C@@H]1C[NH2+]CCN1C(=O)c1cc(F)ccc1I ZINC000592318070 565269060 /nfs/dbraw/zinc/26/90/60/565269060.db2.gz KRGARXWXDOYSCE-LLVKDONJSA-N 1 0 376.213 2.644 20 0 GFADRO Cn1cc(C(=O)NC[C@@H]2CCCN2Cc2ccc(Br)s2)cn1 ZINC000639976293 565272049 /nfs/dbraw/zinc/27/20/49/565272049.db2.gz JQYVLSFMOGIWEU-LBPRGKRZSA-N 1 0 383.315 2.639 20 0 GFADRO CO[C@@H]1CN(CC(=O)Nc2ccc(Br)cc2Cl)[C@@](C)(CO)C1 ZINC000639999492 565273079 /nfs/dbraw/zinc/27/30/79/565273079.db2.gz JZLZCHAYDIXCDL-XHDPSFHLSA-N 1 0 391.693 2.513 20 0 GFADRO OCCC1(CCO)CC[NH+](C[C@@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000640013151 565274282 /nfs/dbraw/zinc/27/42/82/565274282.db2.gz AHLYUHUGBORIHI-OAHLLOKOSA-N 1 0 392.323 2.580 20 0 GFADRO CN(Cc1cc(Br)cs1)C(=O)c1cnn2c1[C@H](C[NH3+])CCC2 ZINC000592495895 565278557 /nfs/dbraw/zinc/27/85/57/565278557.db2.gz WHKPSXWGMGGNRD-JTQLQIEISA-N 1 0 383.315 2.815 20 0 GFADRO [NH3+]C[C@@H]1CCCn2ncc(C(=O)NCCOc3cccc(Cl)c3Cl)c21 ZINC000592502729 565279910 /nfs/dbraw/zinc/27/99/10/565279910.db2.gz YLEZOBNCJCLROW-NSHDSACASA-N 1 0 383.279 2.835 20 0 GFADRO [NH3+]C[C@H]1CCCn2ncc(C(=O)N[C@@H]3COc4c3ccc(Cl)c4Cl)c21 ZINC000592525627 565281075 /nfs/dbraw/zinc/28/10/75/565281075.db2.gz BRAJBAIFTILJAF-NOZJJQNGSA-N 1 0 381.263 2.890 20 0 GFADRO Cc1nn(C)c(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1Br ZINC000640165079 565282640 /nfs/dbraw/zinc/28/26/40/565282640.db2.gz HIGNBMBOSOAGNK-GXTWGEPZSA-N 1 0 396.333 2.972 20 0 GFADRO Cc1nn(C)c(NC(=O)NC[C@H]2CCC[N@H+](CC3CC3)C2)c1Br ZINC000640168253 565284369 /nfs/dbraw/zinc/28/43/69/565284369.db2.gz CPOXUFVWQCRPLZ-CYBMUJFWSA-N 1 0 384.322 2.735 20 0 GFADRO C[C@H](c1nc2cc(Cl)ccc2[nH]1)[N@H+](C)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000660710146 565290322 /nfs/dbraw/zinc/29/03/22/565290322.db2.gz PCYLCWDVPDPFND-OLZOCXBDSA-N 1 0 384.933 2.881 20 0 GFADRO COCCC[N@H+](C)CCNC(=O)N1Cc2ccc(C)c(Br)c2C1 ZINC000660740017 565291992 /nfs/dbraw/zinc/29/19/92/565291992.db2.gz MKICHEAIYWHAKQ-UHFFFAOYSA-N 1 0 384.318 2.751 20 0 GFADRO C[NH+](C)C1(CNC(=O)Nc2cc(N3CCOCC3)ccc2Br)CC1 ZINC000640237532 565292155 /nfs/dbraw/zinc/29/21/55/565292155.db2.gz NADCFKDMJNQGFV-UHFFFAOYSA-N 1 0 397.317 2.501 20 0 GFADRO O=C(Nc1nn(CC(F)(F)F)cc1Cl)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000640292962 565293964 /nfs/dbraw/zinc/29/39/64/565293964.db2.gz PYJSBXRTQKAHDH-LLVKDONJSA-N 1 0 379.814 3.191 20 0 GFADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1CC[C@@H]1c1ccc(Br)cc1 ZINC000660853955 565296638 /nfs/dbraw/zinc/29/66/38/565296638.db2.gz KWEBGCIFGNHJQA-RHSMWYFYSA-N 1 0 395.345 2.541 20 0 GFADRO C[C@H]1C[C@@H](NC(=O)N2CCOc3cc(Br)ccc3C2)CC[N@@H+]1C ZINC000660857653 565297140 /nfs/dbraw/zinc/29/71/40/565297140.db2.gz UQKSIRVEPBEERJ-WFASDCNBSA-N 1 0 382.302 2.836 20 0 GFADRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)Nc2nn(C)cc2Br)C1 ZINC000640310046 565298640 /nfs/dbraw/zinc/29/86/40/565298640.db2.gz SGNGQCCPKIGNHO-OCCSQVGLSA-N 1 0 392.301 3.140 20 0 GFADRO CSCC[C@@H]([NH3+])C(=O)N1CCN([C@@H](C)c2nc3ccccc3s2)CC1 ZINC000592962110 565304806 /nfs/dbraw/zinc/30/48/06/565304806.db2.gz WNSCYQOXOIFCTL-UONOGXRCSA-N 1 0 378.567 2.582 20 0 GFADRO COC[C@H]([NH2+]CC(=O)Nc1ccc(Br)cc1F)C1CCOCC1 ZINC000661159217 565311377 /nfs/dbraw/zinc/31/13/77/565311377.db2.gz RGVJNSUHBNZVMZ-HNNXBMFYSA-N 1 0 389.265 2.558 20 0 GFADRO COC[C@H]([NH2+]CC(=O)Nc1ccc(Br)c(C)c1)C1CCOCC1 ZINC000661159226 565311481 /nfs/dbraw/zinc/31/14/81/565311481.db2.gz RHKPKVWUVPRTNL-INIZCTEOSA-N 1 0 385.302 2.727 20 0 GFADRO COC(=O)[C@@H]1C[N@H+](C[C@@H](O)COc2c(Cl)cccc2Cl)C[C@H]1C1CC1 ZINC000593127225 565315629 /nfs/dbraw/zinc/31/56/29/565315629.db2.gz UCWTWPPNIZBBLH-HZSPNIEDSA-N 1 0 388.291 2.864 20 0 GFADRO COC(=O)[C@@H]1C[N@H+](Cc2cc3c(cc2Br)OCCO3)C[C@H]1C1CC1 ZINC000593124164 565315638 /nfs/dbraw/zinc/31/56/38/565315638.db2.gz SHSHPQDYQLEFGG-UONOGXRCSA-N 1 0 396.281 2.851 20 0 GFADRO C[C@H]1COC2(CCC2)C[N@@H+]1C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000661470079 565324774 /nfs/dbraw/zinc/32/47/74/565324774.db2.gz RCPVGHZKFPOEFL-WFASDCNBSA-N 1 0 388.277 2.971 20 0 GFADRO CC[NH+](CC)CCN(CC(=O)Nc1nncs1)Cc1ccc(Cl)cc1 ZINC000661574749 565329002 /nfs/dbraw/zinc/32/90/02/565329002.db2.gz AHOBXGOZFPBXGS-UHFFFAOYSA-N 1 0 381.933 2.974 20 0 GFADRO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[N@@H+]1CC[C@@H]2NC(=O)CC[C@@H]2C1 ZINC000661600072 565329676 /nfs/dbraw/zinc/32/96/76/565329676.db2.gz LGWKHRMJVBPERD-CJNGLKHVSA-N 1 0 384.307 2.552 20 0 GFADRO O[C@H](COc1cc(F)cc(Br)c1)C[N@@H+]1CCC[C@@](O)(C2CC2)C1 ZINC000661628534 565331541 /nfs/dbraw/zinc/33/15/41/565331541.db2.gz VEQPHOMCELSVNE-RDJZCZTQSA-N 1 0 388.277 2.565 20 0 GFADRO CC(C)(C)c1noc(Cn2cc([C@H]([NH3+])c3ccc(Br)cc3)nn2)n1 ZINC000640934914 565337780 /nfs/dbraw/zinc/33/77/80/565337780.db2.gz MOPGVEQYXQSXJH-CQSZACIVSA-N 1 0 391.273 2.818 20 0 GFADRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)N1CCc2[nH]c3ccc(Br)cc3c2C1 ZINC000640941573 565338415 /nfs/dbraw/zinc/33/84/15/565338415.db2.gz QACOKVOOYHODGN-GTNSWQLSSA-N 1 0 391.313 2.996 20 0 GFADRO Brc1csc(-c2noc(Cn3cc(C4CC[NH2+]CC4)nn3)n2)c1 ZINC000640993560 565340957 /nfs/dbraw/zinc/34/09/57/565340957.db2.gz BEURIAILFACNHX-UHFFFAOYSA-N 1 0 395.286 2.667 20 0 GFADRO CO[C@@H]1CS(=O)(=O)[C@H]2C[N@H+](C[C@H](C)c3ccc(C(F)(F)F)cc3)C[C@H]21 ZINC000661883899 565341166 /nfs/dbraw/zinc/34/11/66/565341166.db2.gz RBKDGFADQTZEBD-KSYCFECVSA-N 1 0 377.428 2.553 20 0 GFADRO Brc1ccc(-c2noc(Cn3cc(C4CC[NH2+]CC4)nn3)n2)s1 ZINC000641048339 565343642 /nfs/dbraw/zinc/34/36/42/565343642.db2.gz GPBFGBSOFGNWAK-UHFFFAOYSA-N 1 0 395.286 2.667 20 0 GFADRO CCc1noc(C)c1Cn1cc([C@H]([NH3+])c2ccc(Br)cc2)nn1 ZINC000641055797 565343837 /nfs/dbraw/zinc/34/38/37/565343837.db2.gz NRRXGZAHRSSZTM-MRXNPFEDSA-N 1 0 376.258 2.996 20 0 GFADRO CCC[C@H]([NH3+])c1cn([C@@H]2CCN(c3cccc(Br)c3)C2=O)nn1 ZINC000641104631 565346245 /nfs/dbraw/zinc/34/62/45/565346245.db2.gz JMAWAJCWZNVWBK-DZGCQCFKSA-N 1 0 378.274 2.819 20 0 GFADRO Cc1cc(N2CCC[C@H](n3cc(CCC[NH3+])nn3)C2=O)ccc1Br ZINC000641116006 565346722 /nfs/dbraw/zinc/34/67/22/565346722.db2.gz BKYCUITXHLPHBZ-INIZCTEOSA-N 1 0 392.301 2.608 20 0 GFADRO O[C@H](COc1ccc(Br)cc1)Cn1cc(C[NH2+]C2CCCC2)nn1 ZINC000641194358 565353494 /nfs/dbraw/zinc/35/34/94/565353494.db2.gz OYVVNGCNYVOVKJ-INIZCTEOSA-N 1 0 395.301 2.513 20 0 GFADRO COc1ncc(Br)cc1CN1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000662281232 565357540 /nfs/dbraw/zinc/35/75/40/565357540.db2.gz KPJWJEBJOUIQOS-JKSUJKDBSA-N 1 0 384.318 2.571 20 0 GFADRO COc1ncc(Br)cc1CN1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000662282951 565359517 /nfs/dbraw/zinc/35/95/17/565359517.db2.gz FFUMSKWTOBKMSQ-XHSDSOJGSA-N 1 0 384.318 2.714 20 0 GFADRO NC(=O)[C@@H](c1cccc(Br)c1)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662291556 565359601 /nfs/dbraw/zinc/35/96/01/565359601.db2.gz IBAALLXRPFBUMO-NVXWUHKLSA-N 1 0 380.330 2.687 20 0 GFADRO NC(=O)[C@H](c1cccc(Br)c1)N1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000662309317 565359633 /nfs/dbraw/zinc/35/96/33/565359633.db2.gz KTIQCKHKJSCMEP-RYQLBKOJSA-N 1 0 379.298 2.868 20 0 GFADRO COc1ccc(NC(=O)N2C[C@@H]([NH+](C)C)[C@@H](SC)C2)c(C(F)(F)F)n1 ZINC000619798132 565359668 /nfs/dbraw/zinc/35/96/68/565359668.db2.gz UWEAIEMZVNPIQZ-MNOVXSKESA-N 1 0 378.420 2.618 20 0 GFADRO O=S(=O)(CC[C@@H]1CCCCO1)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000641308136 565360842 /nfs/dbraw/zinc/36/08/42/565360842.db2.gz RPBSJGOSBXZRFU-KRWDZBQOSA-N 1 0 386.583 2.839 20 0 GFADRO N[C@H](C(=O)N1CCN(Cc2ccccc2)CC1)c1ccccc1Br ZINC000662344465 565361486 /nfs/dbraw/zinc/36/14/86/565361486.db2.gz YYCRURYIJNISMQ-SFHVURJKSA-N 1 0 388.309 2.793 20 0 GFADRO N[C@H](C(=O)NCCc1ccc2c(c1)OCCO2)c1ccccc1Br ZINC000662349339 565362164 /nfs/dbraw/zinc/36/21/64/565362164.db2.gz VMNJVEWLPKWNAG-KRWDZBQOSA-N 1 0 391.265 2.579 20 0 GFADRO CN[C@@H](C(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1)c1cccc(Cl)c1Cl ZINC000662352558 565362283 /nfs/dbraw/zinc/36/22/83/565362283.db2.gz XFQBOGZSXURQSP-SUMWQHHRSA-N 1 0 388.339 2.727 20 0 GFADRO CN[C@H](C(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1)c1cccc(Cl)c1Cl ZINC000662352556 565362306 /nfs/dbraw/zinc/36/23/06/565362306.db2.gz XFQBOGZSXURQSP-GUYCJALGSA-N 1 0 388.339 2.727 20 0 GFADRO CN[C@H](C(=O)NCCC[NH+]1C[C@H](C)O[C@@H](C)C1)c1cccc(Cl)c1Cl ZINC000662367777 565363541 /nfs/dbraw/zinc/36/35/41/565363541.db2.gz GLKFNYFDMYMUJC-DCGLDWPTSA-N 1 0 388.339 2.869 20 0 GFADRO C[C@H](CNC(=O)c1sc2c(c1Br)CNC2)[N@@H+]1CCC[C@H](C)C1 ZINC000662387176 565364842 /nfs/dbraw/zinc/36/48/42/565364842.db2.gz IUNPPTHYADURHP-WDEREUQCSA-N 1 0 386.359 2.964 20 0 GFADRO O=C(Cc1ccc(Br)c(Br)c1)NC1CC[NH2+]CC1 ZINC000662389925 565365072 /nfs/dbraw/zinc/36/50/72/565365072.db2.gz GIADSMSZPLOUDY-UHFFFAOYSA-N 1 0 376.092 2.622 20 0 GFADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)c1csc(-c2ccc(Cl)s2)n1 ZINC000593897551 565366292 /nfs/dbraw/zinc/36/62/92/565366292.db2.gz CEUBGLATPHBGBM-NSHDSACASA-N 1 0 398.941 2.595 20 0 GFADRO CC[NH+](CC)CCN(CCC(F)(F)F)S(=O)(=O)C[C@]1(C)CC1(F)F ZINC000641374198 565367489 /nfs/dbraw/zinc/36/74/89/565367489.db2.gz HXHRCHUPQQPBBV-LBPRGKRZSA-N 1 0 380.423 2.958 20 0 GFADRO CC(C)(CNC(=O)c1c[nH]nc1[C@H]1CC[NH2+]C1)c1cccc(Br)c1 ZINC000662437156 565367763 /nfs/dbraw/zinc/36/77/63/565367763.db2.gz MZUQHNPPEUUJFE-LBPRGKRZSA-N 1 0 391.313 2.957 20 0 GFADRO CC1(C)CC[NH2+][C@@H]1C(=O)N1CCN(C(=O)c2cccc(Cl)c2Cl)CC1 ZINC000662483565 565370927 /nfs/dbraw/zinc/37/09/27/565370927.db2.gz MXPBIMRBSAHPQA-OAHLLOKOSA-N 1 0 384.307 2.666 20 0 GFADRO N[C@@H](C(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1)c1ccccc1Br ZINC000662477971 565371590 /nfs/dbraw/zinc/37/15/90/565371590.db2.gz KOHCBDPKHVJSRJ-WMLDXEAASA-N 1 0 380.330 2.783 20 0 GFADRO COc1cc(NC(=O)c2cc(C3CC[NH2+]CC3)no2)ncc1Br ZINC000662512482 565374096 /nfs/dbraw/zinc/37/40/96/565374096.db2.gz QBDPAZKEMMDZPY-UHFFFAOYSA-N 1 0 381.230 2.560 20 0 GFADRO O=C(c1cc(-c2ccc(Br)cc2)no1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000662522156 565375148 /nfs/dbraw/zinc/37/51/48/565375148.db2.gz VZVSOCZHARVALJ-TZMCWYRMSA-N 1 0 376.254 2.928 20 0 GFADRO O=C(NC1CC([NH+]2CCCCC2)C1)c1sc2c(c1Br)CNC2 ZINC000662533726 565375220 /nfs/dbraw/zinc/37/52/20/565375220.db2.gz UPPDAPRGNUSQMS-UHFFFAOYSA-N 1 0 384.343 2.861 20 0 GFADRO C[NH+](C)Cc1cccc(CNC(=O)[C@@H](N)c2ccccc2Br)c1 ZINC000662524900 565375247 /nfs/dbraw/zinc/37/52/47/565375247.db2.gz CEEHRXXZVHCYBF-KRWDZBQOSA-N 1 0 376.298 2.827 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)[C@@H](N)c1ccccc1Br)c1ccccc1 ZINC000662522586 565375269 /nfs/dbraw/zinc/37/52/69/565375269.db2.gz AUQDMSZQRLKQKO-IRXDYDNUSA-N 1 0 376.298 2.868 20 0 GFADRO CCO[C@H](CC[NH+](C)C)CNC(=O)[C@H](NC)c1cccc(Cl)c1Cl ZINC000662536394 565376205 /nfs/dbraw/zinc/37/62/05/565376205.db2.gz LIJCGZJMRNZJQU-MLGOLLRUSA-N 1 0 376.328 2.727 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)C1([NH2+]C2CC2)CCC1 ZINC000662553686 565377510 /nfs/dbraw/zinc/37/75/10/565377510.db2.gz OHSDXKPAUZAQHV-UHFFFAOYSA-N 1 0 394.313 2.877 20 0 GFADRO O=C(Cc1ccc(I)cc1)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000594199029 565378930 /nfs/dbraw/zinc/37/89/30/565378930.db2.gz XXGKCYUUITUYAN-JKSUJKDBSA-N 1 0 398.288 2.967 20 0 GFADRO CNc1cc(I)ccc1C(=O)N(C)CCCC[NH+](C)C ZINC000594295787 565380643 /nfs/dbraw/zinc/38/06/43/565380643.db2.gz UKSMNJGCKHPWAI-UHFFFAOYSA-N 1 0 389.281 2.747 20 0 GFADRO [NH3+]CC12CC(C1)CN2C(=O)[C@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1 ZINC000662676222 565381863 /nfs/dbraw/zinc/38/18/63/565381863.db2.gz ANPSJSOACFRINQ-YSTGTXGZSA-N 1 0 382.291 2.548 20 0 GFADRO [NH3+]CC12CC(C1)CN2C(=O)Cc1ccc(Br)c(Br)c1 ZINC000662683579 565382099 /nfs/dbraw/zinc/38/20/99/565382099.db2.gz QAEQLTZEPVQTBG-UHFFFAOYSA-N 1 0 388.103 2.704 20 0 GFADRO Cc1c(C(=O)N2CC3CC2(C[NH3+])C3)cnn1-c1cccc(Br)c1 ZINC000662678843 565382370 /nfs/dbraw/zinc/38/23/70/565382370.db2.gz JWGSRADBKNGMKV-UHFFFAOYSA-N 1 0 375.270 2.507 20 0 GFADRO CCO[C@@H]1C[C@]([NH3+])(C(=O)N2CCc3sc(Br)cc3C2)C1(C)C ZINC000662688810 565382512 /nfs/dbraw/zinc/38/25/12/565382512.db2.gz OXSVWKFOXIJCKL-WBMJQRKESA-N 1 0 387.343 2.928 20 0 GFADRO CC[C@H]1CN(C(=O)[C@@H]2CCO[C@H]2c2cncc(Br)c2)CC[C@@H]1[NH3+] ZINC000662774197 565384509 /nfs/dbraw/zinc/38/45/09/565384509.db2.gz MEFSDXZIAOIEHL-MWNCTCPHSA-N 1 0 382.302 2.508 20 0 GFADRO O=C(N1CCN(Cc2ccccc2Cl)CC1)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662787176 565385008 /nfs/dbraw/zinc/38/50/08/565385008.db2.gz IHWASCTZCKTKPP-MRXNPFEDSA-N 1 0 375.822 2.526 20 0 GFADRO O=C(CCOc1cccc(Cl)c1Cl)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000620486351 565386343 /nfs/dbraw/zinc/38/63/43/565386343.db2.gz DNAWDILOLLANEN-AWEZNQCLSA-N 1 0 387.307 2.820 20 0 GFADRO [NH3+]C[C@H](NC(=O)CSCc1ccc(Br)cc1F)C(F)(F)F ZINC000594451365 565386944 /nfs/dbraw/zinc/38/69/44/565386944.db2.gz LPBBGZAHLNFOHG-JTQLQIEISA-N 1 0 389.212 2.827 20 0 GFADRO Cc1c(C[NH3+])c(NC(=O)c2cc3c(ccc(Br)c3C)[nH]2)nn1C ZINC000662835782 565387564 /nfs/dbraw/zinc/38/75/64/565387564.db2.gz OMMFZYDJFBHSBS-UHFFFAOYSA-N 1 0 376.258 2.992 20 0 GFADRO Cc1ccc2c(c1Br)CN(C(=O)C1(n3cccn3)CC[NH2+]CC1)C2 ZINC000662939729 565390011 /nfs/dbraw/zinc/39/00/11/565390011.db2.gz VVVCFMRVBFSKJJ-UHFFFAOYSA-N 1 0 389.297 2.575 20 0 GFADRO [NH3+][C@H]1CCCCN(CC(=O)Nc2ccc(OC(F)(F)F)cc2Cl)C1=O ZINC000663010311 565393395 /nfs/dbraw/zinc/39/33/95/565393395.db2.gz STNILEXFJIBRKI-NSHDSACASA-N 1 0 379.766 2.517 20 0 GFADRO CC(C)([NH3+])CCNC(=O)C(=O)Nc1ncc(Cc2ccccc2Cl)s1 ZINC000641821529 565400039 /nfs/dbraw/zinc/40/00/39/565400039.db2.gz IYJTVVWUSLHKDF-UHFFFAOYSA-N 1 0 380.901 2.569 20 0 GFADRO COc1ccc(C(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)cc1Br ZINC000620963228 565402333 /nfs/dbraw/zinc/40/23/33/565402333.db2.gz AUYDIHMNMQISOP-AWEZNQCLSA-N 1 0 385.302 2.641 20 0 GFADRO CC(C)[C@@H]1CN(C(=O)c2cc(-c3ccc(Br)cc3)n[nH]2)CC[NH2+]1 ZINC000621149936 565408573 /nfs/dbraw/zinc/40/85/73/565408573.db2.gz SWGIRLBDZCXIRL-INIZCTEOSA-N 1 0 377.286 2.909 20 0 GFADRO COc1cc(Cl)c(S(=O)(=O)N(C)[C@@H](C[NH3+])C(F)(F)F)cc1Cl ZINC000663309404 565410858 /nfs/dbraw/zinc/41/08/58/565410858.db2.gz CBLRHXAPSXTXMX-JTQLQIEISA-N 1 0 381.203 2.512 20 0 GFADRO CN([C@H](C[NH3+])C(F)(F)F)S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000663309058 565410908 /nfs/dbraw/zinc/41/09/08/565410908.db2.gz LGSNTFXQPCQJLO-SECBINFHSA-N 1 0 384.729 2.869 20 0 GFADRO COc1cc(CN2CCC[N@H+](C[C@H]3CCCO3)CC2)c(Br)cn1 ZINC000621246561 565410987 /nfs/dbraw/zinc/41/09/87/565410987.db2.gz IWBPQSIHGSFFRI-OAHLLOKOSA-N 1 0 384.318 2.539 20 0 GFADRO COc1cc(CN2CCC[C@@H]([NH+]3CCOCC3)CC2)c(Br)cn1 ZINC000621289359 565416086 /nfs/dbraw/zinc/41/60/86/565416086.db2.gz CUWOIUROEBYUDO-OAHLLOKOSA-N 1 0 384.318 2.539 20 0 GFADRO C[C@H](c1ccccc1)[C@@H](O)C[NH2+]C[C@@H](O)COc1ccc(Br)cc1 ZINC000663378116 565416167 /nfs/dbraw/zinc/41/61/67/565416167.db2.gz OWABACPCCBGNCP-BJZITVGISA-N 1 0 394.309 2.943 20 0 GFADRO C[C@H](O)[C@@H]([NH2+]C[C@H](O)COc1cccc(Br)c1)c1ccccc1 ZINC000663376733 565416255 /nfs/dbraw/zinc/41/62/55/565416255.db2.gz UOKSHGRKBVFLBY-QANKJYHBSA-N 1 0 380.282 2.901 20 0 GFADRO OCC[C@H]1CN(Cc2cncc(Cl)c2)CCN1Cc1cncc(Cl)c1 ZINC000621298151 565416736 /nfs/dbraw/zinc/41/67/36/565416736.db2.gz KWDYKHYVHUPAME-SFHVURJKSA-N 1 0 381.307 2.852 20 0 GFADRO O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)C1=Cc2cc(Br)ccc2OC1 ZINC000642923421 565418549 /nfs/dbraw/zinc/41/85/49/565418549.db2.gz WWYCFTKHJNPVRB-HOTGVXAUSA-N 1 0 377.282 2.968 20 0 GFADRO Brc1cccc(Cc2noc(CN3CC[C@H]4CC[NH2+][C@H]4C3)n2)c1 ZINC000643067119 565420904 /nfs/dbraw/zinc/42/09/04/565420904.db2.gz YCPXWFLXGABMJX-HIFRSBDPSA-N 1 0 377.286 2.607 20 0 GFADRO O=C(C[NH2+][C@H]1CCCSc2ccc(Br)cc21)N1CCOCC1 ZINC000663443090 565421912 /nfs/dbraw/zinc/42/19/12/565421912.db2.gz OLZHGDTVWUXTNM-AWEZNQCLSA-N 1 0 385.327 2.825 20 0 GFADRO CC(=O)N1CC[C@@H]([NH2+]Cc2cn(-c3ccccc3Br)nc2C)C1 ZINC000621388100 565423273 /nfs/dbraw/zinc/42/32/73/565423273.db2.gz LOOLDVSSECUKDV-OAHLLOKOSA-N 1 0 377.286 2.654 20 0 GFADRO CCCC[C@@H](C[NH3+])NC(=O)C(=O)Nc1ccc(OC(F)(F)F)cc1Cl ZINC000663604874 565428145 /nfs/dbraw/zinc/42/81/45/565428145.db2.gz NYURWAJLMQZQBS-VIFPVBQESA-N 1 0 381.782 2.811 20 0 GFADRO O=C(c1cc2c(cc1Br)OCO2)N1CCC([NH2+]CC2CC2)CC1 ZINC000621623600 565432902 /nfs/dbraw/zinc/43/29/02/565432902.db2.gz HIBJZEYPSRQQMA-UHFFFAOYSA-N 1 0 381.270 2.782 20 0 GFADRO COCC[N@@H+]1CC[C@H](NCc2cc(Cl)ccc2I)C1 ZINC000594925221 565435765 /nfs/dbraw/zinc/43/57/65/565435765.db2.gz QLTPHOGCGXEHJD-ZDUSSCGKSA-N 1 0 394.684 2.755 20 0 GFADRO O=C(c1cc2c(cc1Br)OCO2)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000621659705 565435790 /nfs/dbraw/zinc/43/57/90/565435790.db2.gz PUWGXRCPZUDYOD-NEPJUHHUSA-N 1 0 381.270 2.640 20 0 GFADRO OC[C@H](C[NH2+]Cc1cc(Cl)ccc1I)[C@@H]1CCOC1 ZINC000594939043 565435806 /nfs/dbraw/zinc/43/58/06/565435806.db2.gz ZOWJYKSILAVRBX-PWSUYJOCSA-N 1 0 395.668 2.679 20 0 GFADRO O=C(NCC(F)(F)c1ccc(Br)cc1)[C@@H]1C[NH2+]CCC1(F)F ZINC000621674990 565435934 /nfs/dbraw/zinc/43/59/34/565435934.db2.gz KMFZGXQBAHAIBK-NSHDSACASA-N 1 0 383.183 2.902 20 0 GFADRO C[C@@H]([NH2+]Cc1cc(Cl)ccc1I)[C@H]1CN(C)CCO1 ZINC000594931314 565436133 /nfs/dbraw/zinc/43/61/33/565436133.db2.gz NPYDTUVQLHPLED-QMTHXVAHSA-N 1 0 394.684 2.753 20 0 GFADRO Cc1nc(C)c(Br)c(N2CCC(C)(C[NH+]3CCN(C)CC3)CC2)n1 ZINC000663798366 565437038 /nfs/dbraw/zinc/43/70/38/565437038.db2.gz XRMSVUZSGIQATL-UHFFFAOYSA-N 1 0 396.377 2.710 20 0 GFADRO COc1cc(C[NH2+][C@H](C)C2(CO)CC2)cc(I)c1OC ZINC000594965373 565438858 /nfs/dbraw/zinc/43/88/58/565438858.db2.gz FXSJJXUSKIPMRS-SNVBAGLBSA-N 1 0 391.249 2.559 20 0 GFADRO CCC(=O)N1CCC([NH2+]CCc2ccc(I)cc2)CC1 ZINC000594997004 565441302 /nfs/dbraw/zinc/44/13/02/565441302.db2.gz QRGKWCOWIUBSPH-UHFFFAOYSA-N 1 0 386.277 2.824 20 0 GFADRO Ic1ccc2c(c1)[C@@H]([NH2+]CCOC[C@H]1CCOC1)CC2 ZINC000595015386 565442157 /nfs/dbraw/zinc/44/21/57/565442157.db2.gz DGYXAXFFHABHMR-LRDDRELGSA-N 1 0 387.261 2.921 20 0 GFADRO OCC[C@]1(C[NH2+][C@H]2CCc3ccc(I)cc32)CCOC1 ZINC000595022746 565443408 /nfs/dbraw/zinc/44/34/08/565443408.db2.gz VFCLNIBQBBEVRR-JKSUJKDBSA-N 1 0 387.261 2.657 20 0 GFADRO OCC1(C[NH2+][C@@H]2CCc3ccc(I)cc32)CCOCC1 ZINC000595022110 565443450 /nfs/dbraw/zinc/44/34/50/565443450.db2.gz IXTGKMGSNJKTDV-OAHLLOKOSA-N 1 0 387.261 2.657 20 0 GFADRO CCNC(=O)N1CC[C@H]([NH2+][C@H]2CCc3ccc(I)cc32)C1 ZINC000595021989 565443551 /nfs/dbraw/zinc/44/35/51/565443551.db2.gz IQHJDGGCNAKVNQ-ZFWWWQNUSA-N 1 0 399.276 2.672 20 0 GFADRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCc2ccc(I)cc21 ZINC000595036930 565444662 /nfs/dbraw/zinc/44/46/62/565444662.db2.gz XNNYGGMWIJKGAJ-SNPRPXQTSA-N 1 0 384.261 2.783 20 0 GFADRO Brc1cc2ncnc(N3CCC[C@@H](N4CCOCC4)C3)c2s1 ZINC000663949319 565445388 /nfs/dbraw/zinc/44/53/88/565445388.db2.gz BLMGFHWIDJGYCY-LLVKDONJSA-N 1 0 383.315 2.755 20 0 GFADRO C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)c1cc(Br)c[nH]c1=O ZINC000621921879 565448096 /nfs/dbraw/zinc/44/80/96/565448096.db2.gz DSOJAUZMWPAIJM-UHFFFAOYSA-N 1 0 396.260 2.893 20 0 GFADRO C[C@H](NC(=O)c1cc(Br)c[nH]c1=O)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000621948595 565450982 /nfs/dbraw/zinc/45/09/82/565450982.db2.gz DVEMNKUZEIFKKV-RYUDHWBXSA-N 1 0 382.302 2.933 20 0 GFADRO C[NH+](C)CCc1ccc(CNC(=O)c2cc(Br)c[nH]c2=O)cc1 ZINC000621967535 565452317 /nfs/dbraw/zinc/45/23/17/565452317.db2.gz IWGFABPKNJETRP-UHFFFAOYSA-N 1 0 378.270 2.584 20 0 GFADRO [NH3+][C@@]12CCC[C@H]1CN(S(=O)(=O)c1cc(Br)sc1Cl)C2 ZINC000622013199 565455291 /nfs/dbraw/zinc/45/52/91/565455291.db2.gz MCNORAYRZWNDHJ-WRWORJQWSA-N 1 0 385.736 2.666 20 0 GFADRO [NH3+][C@@]12CCC[C@H]1CN(S(=O)(=O)Cc1cc(Cl)ccc1Br)C2 ZINC000622014567 565455478 /nfs/dbraw/zinc/45/54/78/565455478.db2.gz HSICWSRLYSBLJA-SMDDNHRTSA-N 1 0 393.734 2.746 20 0 GFADRO C[C@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000622027099 565456050 /nfs/dbraw/zinc/45/60/50/565456050.db2.gz XQRHERFHCBRKGK-BVRBVLIYSA-N 1 0 384.307 2.853 20 0 GFADRO C[NH2+]C[C@H](C)NC(=O)Nc1nc2ccc(I)cc2s1 ZINC000595234001 565456807 /nfs/dbraw/zinc/45/68/07/565456807.db2.gz ZPWXOQTVTRHCPB-ZETCQYMHSA-N 1 0 390.250 2.630 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)N1CC[NH2+]CC1(C)C ZINC000644075828 565457145 /nfs/dbraw/zinc/45/71/45/565457145.db2.gz NIGUCIVAAPRDOM-AWEZNQCLSA-N 1 0 384.567 2.561 20 0 GFADRO CC[C@H](Cc1cccc(Br)c1)C(=O)NC[C@@]1(COC)CCC[NH2+]1 ZINC000644125782 565459869 /nfs/dbraw/zinc/45/98/69/565459869.db2.gz NLWSTQGOICVXGI-CRAIPNDOSA-N 1 0 383.330 2.903 20 0 GFADRO Cc1sc2nc(C)nc(SCC(=O)N[C@@H]3CC34CC[NH2+]CC4)c2c1C ZINC000644145705 565461654 /nfs/dbraw/zinc/46/16/54/565461654.db2.gz OODFIMFSAKKMBO-CYBMUJFWSA-N 1 0 376.551 2.967 20 0 GFADRO C[C@H](CC[NH+](C)C)NC(=O)C(=O)Nc1ccc(OC(F)(F)F)cc1Cl ZINC000664589456 565468330 /nfs/dbraw/zinc/46/83/30/565468330.db2.gz JIHAKWOJSVFPGI-SECBINFHSA-N 1 0 381.782 2.634 20 0 GFADRO C[N@@H+]1C[C@H]2CCN(S(=O)(=O)c3csc(-c4ccc(Cl)cc4)n3)[C@@H]2C1 ZINC000644299399 565471567 /nfs/dbraw/zinc/47/15/67/565471567.db2.gz JWYLZMJXUVQCTA-TZMCWYRMSA-N 1 0 383.926 2.788 20 0 GFADRO Cc1nc(CSc2ccccc2C(=O)N2CCOC3(C[NH2+]C3)C2)cs1 ZINC000664724510 565475537 /nfs/dbraw/zinc/47/55/37/565475537.db2.gz JLNSSCVYOQNTMP-UHFFFAOYSA-N 1 0 375.519 2.558 20 0 GFADRO CN1CCC[C@H]([NH2+]C[C@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000644548111 565481390 /nfs/dbraw/zinc/48/13/90/565481390.db2.gz PBOCOLFXTBAPPS-STQMWFEESA-N 1 0 377.710 2.526 20 0 GFADRO CCN(CC[NH2+]CCS(=O)(=O)c1cccc(Br)c1)C(C)C ZINC000644563826 565481621 /nfs/dbraw/zinc/48/16/21/565481621.db2.gz LIAWSMYATTXIPI-UHFFFAOYSA-N 1 0 377.348 2.543 20 0 GFADRO C[C@@H]1CN(C[C@@H](O)C[NH2+]CC2(c3cccc(Br)c3)CC2)C[C@@H](C)O1 ZINC000644567916 565482877 /nfs/dbraw/zinc/48/28/77/565482877.db2.gz OFVFVGWBQRTISM-RKVPGOIHSA-N 1 0 397.357 2.540 20 0 GFADRO O[C@@H](C[NH2+]CCOc1ncccc1F)COc1ccc(Cl)c(Cl)c1 ZINC000644604334 565484107 /nfs/dbraw/zinc/48/41/07/565484107.db2.gz SHDLCNAVEWDMAV-NSHDSACASA-N 1 0 375.227 2.936 20 0 GFADRO C[C@@H]([NH2+]CCS(=O)(=O)c1cccc(Br)c1)[C@@H]1CCCCO1 ZINC000644616529 565485438 /nfs/dbraw/zinc/48/54/38/565485438.db2.gz LXONNIFOJLSYPB-DOMZBBRYSA-N 1 0 376.316 2.770 20 0 GFADRO O=S1(=O)CCC(CC[NH2+]C[C@@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000644612866 565485467 /nfs/dbraw/zinc/48/54/67/565485467.db2.gz BQXZSYHFMGCNGY-CQSZACIVSA-N 1 0 396.336 2.538 20 0 GFADRO CN1Cc2ccccc2[C@@H]([NH2+]C[C@@H](O)COc2cccc(Br)c2)C1 ZINC000644609810 565485511 /nfs/dbraw/zinc/48/55/11/565485511.db2.gz LMMOCSSOQXKOAX-APWZRJJASA-N 1 0 391.309 2.965 20 0 GFADRO C[NH+]1CCN(c2ccc(-c3noc(-c4occc4Br)n3)nc2)CC1 ZINC000664941642 565485689 /nfs/dbraw/zinc/48/56/89/565485689.db2.gz UBSOJCJOOIMVQV-UHFFFAOYSA-N 1 0 390.241 2.906 20 0 GFADRO CC1(C)CN(C(=O)NCC[N@@H+]2CCCOCC2)c2cc(Br)ccc21 ZINC000664957739 565486899 /nfs/dbraw/zinc/48/68/99/565486899.db2.gz HJJDUULHBFDPLE-UHFFFAOYSA-N 1 0 396.329 2.979 20 0 GFADRO C[C@H](c1ncc(Br)cn1)N1C[C@@H]2COC[C@]2(C(=O)OC(C)(C)C)C1 ZINC000595721005 565488735 /nfs/dbraw/zinc/48/87/35/565488735.db2.gz TZUHFCWKPMZDHO-PSTGCABASA-N 1 0 398.301 2.590 20 0 GFADRO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)c2ncc(Br)s2)cc1 ZINC000623073169 565492901 /nfs/dbraw/zinc/49/29/01/565492901.db2.gz LRBJYBYYDDZIKY-STQMWFEESA-N 1 0 396.310 2.790 20 0 GFADRO CC1(C)C[C@@H](NCc2nc(C[NH3+])cc(=O)[nH]2)c2cc(Br)ccc21 ZINC000665292689 565495737 /nfs/dbraw/zinc/49/57/37/565495737.db2.gz HLRPYCPVCCGICK-CQSZACIVSA-N 1 0 377.286 2.916 20 0 GFADRO C[C@H]1CSc2ccc(Br)cc2[C@@H]1NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000665292221 565496531 /nfs/dbraw/zinc/49/65/31/565496531.db2.gz WEKBIIWUJCGTQX-XXFAHNHDSA-N 1 0 395.326 2.976 20 0 GFADRO C[N@H+]1C[C@H]2[C@@H](CCN2Cc2ncc(Br)cc2Br)C1 ZINC000644841147 565496924 /nfs/dbraw/zinc/49/69/24/565496924.db2.gz NNCSEFIQYHQGBX-ZANVPECISA-N 1 0 375.108 2.743 20 0 GFADRO C[N@@H+]1C[C@@H]2CCN(C(=O)c3cc(Br)cc(Br)c3)[C@@H]2C1 ZINC000644824430 565497369 /nfs/dbraw/zinc/49/73/69/565497369.db2.gz VXKXNFMBLOGYNM-TVQRCGJNSA-N 1 0 388.103 2.988 20 0 GFADRO COc1cc2[nH+]ccc(NCC(=O)NC3CCCC3)c2cc1Br ZINC000644870220 565499136 /nfs/dbraw/zinc/49/91/36/565499136.db2.gz BRZWJDPOHPJGDX-UHFFFAOYSA-N 1 0 378.270 2.899 20 0 GFADRO O=C(C[NH2+]CC1CC1)NCc1cc(Cl)ccc1I ZINC000595938036 565499902 /nfs/dbraw/zinc/49/99/02/565499902.db2.gz JWLDJMLTSZSZEX-UHFFFAOYSA-N 1 0 378.641 2.560 20 0 GFADRO Cc1c2cc(C(=O)N3CCN(CC[NH+](C)C)CC3)[nH]c2ccc1Br ZINC000665528847 565502586 /nfs/dbraw/zinc/50/25/86/565502586.db2.gz OMNQXRFTMCARLH-UHFFFAOYSA-N 1 0 393.329 2.558 20 0 GFADRO COC(=O)c1sc2c(c1Br)CN(C(=O)C[C@@H]1CCC[C@H]1[NH3+])C2 ZINC000596003860 565506038 /nfs/dbraw/zinc/50/60/38/565506038.db2.gz TXZBPGBFKWXRSR-WCBMZHEXSA-N 1 0 387.299 2.657 20 0 GFADRO C[C@@H](CCCO)[NH2+]Cc1cc(Cl)cc(Cl)c1OCCN1CCOCC1 ZINC000623444970 565511054 /nfs/dbraw/zinc/51/10/54/565511054.db2.gz YTRDFPSLOLOYBP-AWEZNQCLSA-N 1 0 391.339 2.955 20 0 GFADRO COc1cc(CNC(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)c(Br)cc1O ZINC000645172009 565515296 /nfs/dbraw/zinc/51/52/96/565515296.db2.gz DNTRBKAKOOOFKH-STQMWFEESA-N 1 0 398.301 2.589 20 0 GFADRO O=C(Nc1cc(Br)ccc1F)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000666046807 565520964 /nfs/dbraw/zinc/52/09/64/565520964.db2.gz GDDKJLICWSOYEM-ZDUSSCGKSA-N 1 0 386.265 2.963 20 0 GFADRO Cc1ccc(Br)c(C)c1C(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000645325544 565521047 /nfs/dbraw/zinc/52/10/47/565521047.db2.gz IBNLQMOZJIUQMC-CVEARBPZSA-N 1 0 381.314 2.737 20 0 GFADRO FC(F)CN1CCC[C@@H]1C[NH2+]Cc1cc2c(cc1Br)OCO2 ZINC000623626899 565521818 /nfs/dbraw/zinc/52/18/18/565521818.db2.gz JEDKZWDEBCPVHJ-LLVKDONJSA-N 1 0 377.229 2.997 20 0 GFADRO CCC[N@H+](C)CC(C)(C)NC(=O)Nc1ccc(NS(C)(=O)=O)c(Cl)c1 ZINC000666155046 565523905 /nfs/dbraw/zinc/52/39/05/565523905.db2.gz PVJIEPWZATWQNY-UHFFFAOYSA-N 1 0 390.937 2.953 20 0 GFADRO O=C(Nc1ccc(F)c(Br)c1)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000666226757 565527939 /nfs/dbraw/zinc/52/79/39/565527939.db2.gz RKYKVNOLPYJDBN-CYBMUJFWSA-N 1 0 386.265 2.963 20 0 GFADRO C[C@@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+]CC1(C(N)=O)CCOCC1 ZINC000623862401 565532597 /nfs/dbraw/zinc/53/25/97/565532597.db2.gz SNFKRDAJQGFFAD-JTQLQIEISA-N 1 0 379.810 2.557 20 0 GFADRO O=C(NCC1CC[NH+](CC2CC2)CC1)Nc1nnc(CC(F)(F)F)s1 ZINC000666378704 565534458 /nfs/dbraw/zinc/53/44/58/565534458.db2.gz HPVPKDVOJQUJQV-UHFFFAOYSA-N 1 0 377.436 2.886 20 0 GFADRO C[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2cc(Cl)ccc2OC(F)(F)F)C1 ZINC000645525879 565535116 /nfs/dbraw/zinc/53/51/16/565535116.db2.gz WPHDDXUYYVCOFM-JTQLQIEISA-N 1 0 386.823 2.859 20 0 GFADRO O=S1(=O)CCC(O)(C[NH2+][C@H]2CCCc3c4cc(Cl)ccc4[nH]c32)CC1 ZINC000623896933 565535440 /nfs/dbraw/zinc/53/54/40/565535440.db2.gz CUZSPEJHXLPXQA-INIZCTEOSA-N 1 0 382.913 2.728 20 0 GFADRO COc1ncc(Br)cc1CNC(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000623951722 565536474 /nfs/dbraw/zinc/53/64/74/565536474.db2.gz YFSTXNNBYVZELQ-UHFFFAOYSA-N 1 0 397.317 2.526 20 0 GFADRO Cc1ccc(Br)c(CNC(=O)N2CCOC3(CC[NH+](C)CC3)C2)c1 ZINC000645548565 565536797 /nfs/dbraw/zinc/53/67/97/565536797.db2.gz YAAGYOGMCOXYQO-UHFFFAOYSA-N 1 0 396.329 2.764 20 0 GFADRO NC(=O)c1cn(CCCC[NH2+]Cc2c(Cl)ccc(Cl)c2Cl)nn1 ZINC000666485255 565539384 /nfs/dbraw/zinc/53/93/84/565539384.db2.gz SWDBVZXAAZEMPD-UHFFFAOYSA-N 1 0 376.675 2.907 20 0 GFADRO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]Cc1c(C(F)(F)F)cnn1C ZINC000624053984 565541014 /nfs/dbraw/zinc/54/10/14/565541014.db2.gz UIRWYNLMAPQCLG-VIFPVBQESA-N 1 0 393.207 2.541 20 0 GFADRO C[N@@H+]1CCC[C@@H](CNC(=O)Nc2ccc(I)cc2F)C1 ZINC000597016474 565545533 /nfs/dbraw/zinc/54/55/33/565545533.db2.gz CVQOXSAUVVVSLK-JTQLQIEISA-N 1 0 391.228 2.894 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@@H]1CCO[C@H]1c1cncc(Br)c1 ZINC000666608164 565545750 /nfs/dbraw/zinc/54/57/50/565545750.db2.gz IAAQQZAXMHJEMK-VQHPVUNQSA-N 1 0 394.313 2.665 20 0 GFADRO [NH3+]C[C@H]1CN(S(=O)(=O)c2cc3cc(F)ccc3o2)CC[C@@H]1C(F)(F)F ZINC000624392237 565554843 /nfs/dbraw/zinc/55/48/43/565554843.db2.gz MGPXNGYXNSRYOY-JQWIXIFHSA-N 1 0 380.363 2.720 20 0 GFADRO C[C@@H](CNS(=O)(=O)Cc1ccc(Br)cc1Cl)C[NH+](C)C ZINC000645724844 565555427 /nfs/dbraw/zinc/55/54/27/565555427.db2.gz QHAXGMNMPCZJHI-JTQLQIEISA-N 1 0 383.739 2.720 20 0 GFADRO [NH3+]C[C@H]1CN(S(=O)(=O)CCc2ccccc2Cl)CC[C@H]1C(F)(F)F ZINC000624392465 565555530 /nfs/dbraw/zinc/55/55/30/565555530.db2.gz RTSRZECXNVSCCK-QWHCGFSZSA-N 1 0 384.851 2.671 20 0 GFADRO COC(=O)[C@H]1C[C@H]([NH2+]Cc2cn(-c3ccc(Br)cc3)nc2C)C1 ZINC000597241900 565556716 /nfs/dbraw/zinc/55/67/16/565556716.db2.gz JVOYZKMXOHEGNS-NNUKFRKNSA-N 1 0 378.270 2.984 20 0 GFADRO COC(=O)[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1[NH2+]Cc1ccc(OC)c(O)c1Br ZINC000597247538 565558143 /nfs/dbraw/zinc/55/81/43/565558143.db2.gz NYMTWEJAWWQVRI-MHOHDPQLSA-N 1 0 384.270 2.841 20 0 GFADRO O=C(NCC[NH2+]C1CC1)Nc1cc(Br)cnc1OCC(F)(F)F ZINC000667106315 565570625 /nfs/dbraw/zinc/57/06/25/565570625.db2.gz MGGDGXYLGGRXFH-UHFFFAOYSA-N 1 0 397.195 2.659 20 0 GFADRO C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1ccc(F)c(I)c1 ZINC000597700185 565570778 /nfs/dbraw/zinc/57/07/78/565570778.db2.gz MERREJMPBHZKGX-ZANVPECISA-N 1 0 376.213 2.595 20 0 GFADRO C[C@@H]([NH3+])CNC(=O)Nc1ccc(Br)cc1-c1nc(C2CC2)no1 ZINC000667162061 565573614 /nfs/dbraw/zinc/57/36/14/565573614.db2.gz YXILQBBUJZUYCA-MRVPVSSYSA-N 1 0 380.246 2.845 20 0 GFADRO CN1CCOC[C@@H]1CNC(=O)N1CCC(c2ccc(Br)cc2)CC1 ZINC000624731343 565573810 /nfs/dbraw/zinc/57/38/10/565573810.db2.gz JELOKQBPMIYJFB-KRWDZBQOSA-N 1 0 396.329 2.669 20 0 GFADRO CC[C@@H](Cc1ccccc1Br)N(C)C(=O)NC[C@@H]1COCCN1C ZINC000624730657 565574004 /nfs/dbraw/zinc/57/40/04/565574004.db2.gz NGCXYSLVKXTDCI-JKSUJKDBSA-N 1 0 398.345 2.742 20 0 GFADRO C[NH+](C)C[C@](C)(O)CNC(=O)N[C@H]1CCCCc2cc(Br)ccc21 ZINC000667213250 565578229 /nfs/dbraw/zinc/57/82/29/565578229.db2.gz PRLGWWBXNBNMCN-FUHWJXTLSA-N 1 0 398.345 2.828 20 0 GFADRO Cc1nn(C)c(NC(=O)NC/C=C\C[NH3+])c1-c1ccc(Br)cc1 ZINC000667287241 565579998 /nfs/dbraw/zinc/57/99/98/565579998.db2.gz XNSHEXDQLQXSTB-ARJAWSKDSA-N 1 0 378.274 2.794 20 0 GFADRO CC[NH+](CC)CC(=O)NCc1cc(Cl)ccc1I ZINC000597897992 565580402 /nfs/dbraw/zinc/58/04/02/565580402.db2.gz MIUSWYLNWZWDDC-UHFFFAOYSA-N 1 0 380.657 2.903 20 0 GFADRO CC(C)[C@H]([NH2+]CC(=O)Nc1ccc(Br)cn1)C1(CO)CC=CC1 ZINC000646084918 565586025 /nfs/dbraw/zinc/58/60/25/565586025.db2.gz CUOMXBOVAHYSHZ-INIZCTEOSA-N 1 0 382.302 2.726 20 0 GFADRO Cc1nc(-c2ccc(Cl)s2)sc1C(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000646119368 565587748 /nfs/dbraw/zinc/58/77/48/565587748.db2.gz PBFYIVBGUIREDY-GFCCVEGCSA-N 1 0 396.969 2.953 20 0 GFADRO CCN(C(=O)c1ccc(I)c(F)c1)[C@@H]1CC[N@H+](CC)C1 ZINC000598039885 565589709 /nfs/dbraw/zinc/58/97/09/565589709.db2.gz BNDDTLYWRRHQEQ-GFCCVEGCSA-N 1 0 390.240 2.987 20 0 GFADRO CCN(C(=O)c1ccc(I)c(F)c1)[C@H]1CC[N@H+](CC)C1 ZINC000598039886 565589830 /nfs/dbraw/zinc/58/98/30/565589830.db2.gz BNDDTLYWRRHQEQ-LBPRGKRZSA-N 1 0 390.240 2.987 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000646187650 565590374 /nfs/dbraw/zinc/59/03/74/565590374.db2.gz PYEVYTPBBJQUCO-NEPJUHHUSA-N 1 0 385.306 2.511 20 0 GFADRO Cc1cc(Br)c(F)cc1S(=O)(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000625019252 565590780 /nfs/dbraw/zinc/59/07/80/565590780.db2.gz XOXULNCGMJAJEN-GHMZBOCLSA-N 1 0 379.295 2.658 20 0 GFADRO Cc1c(F)c(Br)ccc1NC(=O)NCC1(N2CCOCC2)CC1 ZINC000667503840 565591334 /nfs/dbraw/zinc/59/13/34/565591334.db2.gz ZAGFGEVXLSJOKG-UHFFFAOYSA-N 1 0 386.265 2.883 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H](NC(=O)C(=O)Nc2cc(Br)c(F)cc2Cl)C1 ZINC000667525202 565592445 /nfs/dbraw/zinc/59/24/45/565592445.db2.gz BZTDTFLVRGHMCF-HTQZYQBOSA-N 1 0 392.656 2.566 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)C(=O)Nc2ccccc2SCC(F)(F)F)CC[NH2+]1 ZINC000667556476 565594923 /nfs/dbraw/zinc/59/49/23/565594923.db2.gz GNCFFJIFYSEJEI-GHMZBOCLSA-N 1 0 375.416 2.536 20 0 GFADRO C[C@H]1COCC[N@@H+]1C1CCN(C(=O)c2ccc(Br)c(F)c2)CC1 ZINC000646316141 565596658 /nfs/dbraw/zinc/59/66/58/565596658.db2.gz BRHQQNVSYUDNMK-LBPRGKRZSA-N 1 0 385.277 2.914 20 0 GFADRO COC(=O)[C@@H](NC(=O)C[NH+]1CCC(C)CC1)c1ccccc1Br ZINC000598182562 565597530 /nfs/dbraw/zinc/59/75/30/565597530.db2.gz HNGIHVKGPHRZHT-INIZCTEOSA-N 1 0 383.286 2.511 20 0 GFADRO O=C(c1cc(-c2ccc(Br)cc2)n[nH]1)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000646344533 565598920 /nfs/dbraw/zinc/59/89/20/565598920.db2.gz LZEBPZMRUSVHFV-WBMJQRKESA-N 1 0 375.270 2.663 20 0 GFADRO C[N@@H+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)CCc1cc(Br)cs1 ZINC000646444409 565603227 /nfs/dbraw/zinc/60/32/27/565603227.db2.gz MESBDUPRUNLNPR-CABCVRRESA-N 1 0 387.343 2.765 20 0 GFADRO CC(C)n1cc(Br)cc1C(=O)N1CCOC[C@@H]1[C@@H]1CCC[N@@H+]1C ZINC000646440924 565603921 /nfs/dbraw/zinc/60/39/21/565603921.db2.gz XPEPCRQYHBONJX-GOEBONIOSA-N 1 0 384.318 2.767 20 0 GFADRO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1ncc(Br)cc1Br ZINC000646476572 565604768 /nfs/dbraw/zinc/60/47/68/565604768.db2.gz UKSUTQZEJNGAIY-KCJUWKMLSA-N 1 0 391.107 2.771 20 0 GFADRO CCC[N@@H+]1CC[C@H](NC(=O)c2cccc(F)c2I)C1 ZINC000598342296 565609746 /nfs/dbraw/zinc/60/97/46/565609746.db2.gz LYZTZWNUBQGXLZ-JTQLQIEISA-N 1 0 376.213 2.644 20 0 GFADRO [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)c2sc3cc(F)ccc3c2Cl)C1 ZINC000646666020 565613530 /nfs/dbraw/zinc/61/35/30/565613530.db2.gz NIERJQJZRWOYIO-JTQLQIEISA-N 1 0 383.876 2.621 20 0 GFADRO O=C(Nc1cccc(Br)c1F)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000667924689 565614724 /nfs/dbraw/zinc/61/47/24/565614724.db2.gz YHZURAXLKRVXQV-KBPBESRZSA-N 1 0 386.265 2.651 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C(=O)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000646762952 565617929 /nfs/dbraw/zinc/61/79/29/565617929.db2.gz LPGXANBJCJTSCO-BDJLRTHQSA-N 1 0 377.286 2.753 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CN(C(=O)C2(c3cc(C(F)(F)F)ccc3Cl)CC2)CCO1 ZINC000646854428 565623242 /nfs/dbraw/zinc/62/32/42/565623242.db2.gz VEKKJSYEROHJAY-QMTHXVAHSA-N 1 0 376.806 2.965 20 0 GFADRO C[N@@H+]1C[C@H]2CCN(C(=O)C3(c4ccc(Br)cc4)CCOCC3)[C@@H]2C1 ZINC000646915975 565625266 /nfs/dbraw/zinc/62/52/66/565625266.db2.gz YUQVWCVEMUUQKD-RHSMWYFYSA-N 1 0 393.325 2.660 20 0 GFADRO CC(C)[N@@H+]1CCCN(C(=O)[C@@H]2CCO[C@H]2c2cncc(Br)c2)CC1 ZINC000668101550 565626668 /nfs/dbraw/zinc/62/66/68/565626668.db2.gz UTJCNDNKDZBTNS-SJORKVTESA-N 1 0 396.329 2.864 20 0 GFADRO Cc1cc(C(=O)N2CC[C@@H]3C[N@@H+](C)C[C@@H]32)nn1-c1ccc(Br)cc1 ZINC000646924157 565626734 /nfs/dbraw/zinc/62/67/34/565626734.db2.gz CFSRWSQPCXIGMA-DYVFJYSZSA-N 1 0 389.297 2.719 20 0 GFADRO C[N@@H+]1C[C@@H]2CCN(C(=O)c3cc(Br)ccc3Br)[C@@H]2C1 ZINC000646940846 565627702 /nfs/dbraw/zinc/62/77/02/565627702.db2.gz OHDKXKPDTMXIOV-TVQRCGJNSA-N 1 0 388.103 2.988 20 0 GFADRO Cc1cc(S(=O)(=O)NC[C@H]2CCCC[N@@H+](C)C2)ccc1Br ZINC000625420712 565628003 /nfs/dbraw/zinc/62/80/03/565628003.db2.gz QBXAAYGIDHGVTM-CYBMUJFWSA-N 1 0 375.332 2.768 20 0 GFADRO C[N@@H+]1CCCC[C@H](CNS(=O)(=O)c2cccc(OC(F)(F)F)c2F)C1 ZINC000625424726 565629411 /nfs/dbraw/zinc/62/94/11/565629411.db2.gz KGQIUAFPMCJHNG-LLVKDONJSA-N 1 0 384.395 2.735 20 0 GFADRO Cc1cc(Br)sc1S(=O)(=O)NC[C@H]1CCCC[N@@H+](C)C1 ZINC000625424419 565629505 /nfs/dbraw/zinc/62/95/05/565629505.db2.gz JQUVFPLZKWRZDG-LLVKDONJSA-N 1 0 381.361 2.829 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H](NC(=O)[C@H](c2ccc(Br)cc2)N2CCCC2)C1 ZINC000646996898 565630983 /nfs/dbraw/zinc/63/09/83/565630983.db2.gz CBTOFIULNNHHSZ-ZACQAIPSSA-N 1 0 380.330 2.972 20 0 GFADRO O=C1Nc2ccc(Br)cc2CC[C@H]1[N@@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000625483925 565633382 /nfs/dbraw/zinc/63/33/82/565633382.db2.gz QSIXRKGWNIYJBO-GDBMZVCRSA-N 1 0 390.285 2.631 20 0 GFADRO O=C1Nc2ccc(Br)cc2CC[C@@H]1[N@@H+]1CCC[C@H](n2ccnn2)C1 ZINC000625483928 565633951 /nfs/dbraw/zinc/63/39/51/565633951.db2.gz QSIXRKGWNIYJBO-HOCLYGCPSA-N 1 0 390.285 2.631 20 0 GFADRO C[NH+]1CCC(N2CC[C@@H](NC(=O)c3sc4ncccc4c3Cl)C2)CC1 ZINC000625521175 565635518 /nfs/dbraw/zinc/63/55/18/565635518.db2.gz ZDNGEBFJFYHNIY-GFCCVEGCSA-N 1 0 378.929 2.848 20 0 GFADRO O=S(=O)(Cc1ccccc1Br)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000625530778 565636465 /nfs/dbraw/zinc/63/64/65/565636465.db2.gz JFSIXZRICQRKKL-OAHLLOKOSA-N 1 0 387.343 2.885 20 0 GFADRO O=C1C[C@@H](c2nc([C@@H]3CCC[NH2+]3)no2)CN1c1cccc(Br)c1 ZINC000647152437 565641267 /nfs/dbraw/zinc/64/12/67/565641267.db2.gz FNRNITJOQUTJHW-MFKMUULPSA-N 1 0 377.242 2.777 20 0 GFADRO CCN(CC)S(=O)(=O)c1cc(-c2nc([C@@H]3CCC[NH2+]3)no2)ccc1Cl ZINC000647156196 565642040 /nfs/dbraw/zinc/64/20/40/565642040.db2.gz RUKPGSVTRQVEOR-ZDUSSCGKSA-N 1 0 384.889 2.845 20 0 GFADRO COCC[N@@H+]1CCC[C@@H](NC(=O)CCc2ccc(OC)cc2Br)C1 ZINC000668374254 565644346 /nfs/dbraw/zinc/64/43/46/565644346.db2.gz WZZLRVDYTKSXJT-OAHLLOKOSA-N 1 0 399.329 2.617 20 0 GFADRO Cn1cnc(CCC[NH2+]Cc2cc(Br)ccc2OC(F)F)n1 ZINC000647230873 565647300 /nfs/dbraw/zinc/64/73/00/565647300.db2.gz VIWMURZZMAVWSS-UHFFFAOYSA-N 1 0 375.217 2.901 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Br)cc2Cl)C1 ZINC000647222783 565647357 /nfs/dbraw/zinc/64/73/57/565647357.db2.gz GBPSZDCHOCLIPV-WDEREUQCSA-N 1 0 395.750 2.992 20 0 GFADRO C[NH2+]C[C@@H]1CCCN1S(=O)(=O)Cc1ccc(Br)cc1Cl ZINC000647230504 565647377 /nfs/dbraw/zinc/64/73/77/565647377.db2.gz UKTFVFGTLKELRL-LBPRGKRZSA-N 1 0 381.723 2.616 20 0 GFADRO O=S(=O)(Cc1ccc(Br)cc1Cl)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000647229730 565647685 /nfs/dbraw/zinc/64/76/85/565647685.db2.gz WPZMTMFPYHZZOR-OLZOCXBDSA-N 1 0 393.734 2.759 20 0 GFADRO Cc1cc(Br)ccc1S(=O)(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647238956 565648060 /nfs/dbraw/zinc/64/80/60/565648060.db2.gz ZQWKTEVEVWTTCU-ZFWWWQNUSA-N 1 0 387.343 2.910 20 0 GFADRO CC[NH+](CC)CCS(=O)(=O)N[C@H](CCO)c1cc(Cl)cc(Cl)c1 ZINC000625628063 565648659 /nfs/dbraw/zinc/64/86/59/565648659.db2.gz ZRNIORNIHPSWML-OAHLLOKOSA-N 1 0 383.341 2.678 20 0 GFADRO CC[C@H](CCc1ccc(Br)cc1)[NH2+][C@@H]1CS(=O)(=O)C[C@H]1OC ZINC000668506042 565650438 /nfs/dbraw/zinc/65/04/38/565650438.db2.gz FWTWWGWHMIRZJN-BZUAXINKSA-N 1 0 390.343 2.562 20 0 GFADRO O=S(=O)(Cc1ccc(Br)cc1Cl)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000647264729 565650978 /nfs/dbraw/zinc/65/09/78/565650978.db2.gz PBEDKNQTMMHNFT-IINYFYTJSA-N 1 0 393.734 2.616 20 0 GFADRO CC[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2Br)CC[C@H]1[NH3+] ZINC000647269428 565651983 /nfs/dbraw/zinc/65/19/83/565651983.db2.gz SBCOYMQQETUUKJ-BXKDBHETSA-N 1 0 381.723 2.850 20 0 GFADRO CN(C)C(=O)CN(CC[NH+](C)C)Cc1cc(Br)c(Cl)s1 ZINC000668557097 565653272 /nfs/dbraw/zinc/65/32/72/565653272.db2.gz CEJMMKMNDLROJL-UHFFFAOYSA-N 1 0 382.755 2.616 20 0 GFADRO O=C1CC[C@@H]2C[N@H+](Cc3cnn(-c4ccc(Br)cc4)c3)CC[C@@H]2N1 ZINC000668542151 565653537 /nfs/dbraw/zinc/65/35/37/565653537.db2.gz NZYPDWWUISLWEL-PBHICJAKSA-N 1 0 389.297 2.735 20 0 GFADRO O=S(=O)(N[C@@H]1CCC[NH2+]CC1)c1cc(Cl)c(Br)cc1F ZINC000647285509 565654407 /nfs/dbraw/zinc/65/44/07/565654407.db2.gz GIMRWJMNUJBRIT-MRVPVSSYSA-N 1 0 385.686 2.662 20 0 GFADRO CN([C@H](C[NH3+])C1CC1)S(=O)(=O)Cc1ccc(Br)cc1Cl ZINC000647301630 565655031 /nfs/dbraw/zinc/65/50/31/565655031.db2.gz LJQWBKKDMZESJH-CYBMUJFWSA-N 1 0 381.723 2.601 20 0 GFADRO O=S(=O)(N[C@H]1CC12CC[NH2+]CC2)c1cc(Cl)c(Br)cc1F ZINC000647303270 565655640 /nfs/dbraw/zinc/65/56/40/565655640.db2.gz PVBUZASNNHEFTG-LBPRGKRZSA-N 1 0 397.697 2.662 20 0 GFADRO CC(C)(C)[C@@H](C[NH3+])NS(=O)(=O)Cc1ccc(Br)cc1Cl ZINC000647324257 565657994 /nfs/dbraw/zinc/65/79/94/565657994.db2.gz QDEYEIACYJZVIU-GFCCVEGCSA-N 1 0 383.739 2.895 20 0 GFADRO Cc1sc(Br)cc1S(=O)(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000647323110 565658294 /nfs/dbraw/zinc/65/82/94/565658294.db2.gz IVAKDPMUIHYEEV-NWDGAFQWSA-N 1 0 393.372 2.829 20 0 GFADRO C[C@@H]1CCN(S(=O)(=O)Cc2ccc(Br)cc2Cl)C[C@H]1C[NH3+] ZINC000647325108 565658352 /nfs/dbraw/zinc/65/83/52/565658352.db2.gz WBAZSOSMAQXCNV-ZYHUDNBSSA-N 1 0 395.750 2.849 20 0 GFADRO COc1cc(Br)ccc1[C@@H]1CCC[N@@H+]1C[C@H](O)Cn1cccn1 ZINC000625791547 565659764 /nfs/dbraw/zinc/65/97/64/565659764.db2.gz GGONLOPZHKIZTK-HOCLYGCPSA-N 1 0 380.286 2.852 20 0 GFADRO OCC1(CO)CCN(Cc2ccc(OC(F)(F)F)c(Br)c2)C1 ZINC000668665363 565659863 /nfs/dbraw/zinc/65/98/63/565659863.db2.gz OLNMPVKLPUSWRJ-UHFFFAOYSA-N 1 0 384.192 2.524 20 0 GFADRO CCc1cc(=O)[nH]c(C[NH2+][C@]2(CO)CCc3cc(Br)ccc3C2)n1 ZINC000625797812 565660521 /nfs/dbraw/zinc/66/05/21/565660521.db2.gz ZWOMQLWVDIMWDV-GOSISDBHSA-N 1 0 392.297 2.517 20 0 GFADRO C[C@H](c1ccccc1Br)[NH+]1CCC(n2cc(C(N)=O)nn2)CC1 ZINC000625807930 565661751 /nfs/dbraw/zinc/66/17/51/565661751.db2.gz MYCBWFBAJDCYGB-LLVKDONJSA-N 1 0 378.274 2.538 20 0 GFADRO CC[NH+](CC)C[C@@H](C)NC(=O)[C@@H]1CCO[C@H]1c1cncc(Br)c1 ZINC000668690257 565662247 /nfs/dbraw/zinc/66/22/47/565662247.db2.gz NEWBINHBVWSCFN-WQVCFCJDSA-N 1 0 384.318 2.768 20 0 GFADRO CC[NH+](CC)C[C@H](C)NC(=O)[C@@H]1CCO[C@H]1c1cncc(Br)c1 ZINC000668690256 565662310 /nfs/dbraw/zinc/66/23/10/565662310.db2.gz NEWBINHBVWSCFN-MAZHCROVSA-N 1 0 384.318 2.768 20 0 GFADRO CCOc1c(Br)cc(Cl)cc1NC(=O)N(C)CCOCC[NH3+] ZINC000625843542 565662426 /nfs/dbraw/zinc/66/24/26/565662426.db2.gz XVHMJPUXZGNTNR-UHFFFAOYSA-N 1 0 394.697 2.940 20 0 GFADRO OCc1ccc(CC[NH2+]C[C@@H](O)COc2cccc(Br)c2)cc1 ZINC000647524317 565662603 /nfs/dbraw/zinc/66/26/03/565662603.db2.gz CDMISXGBGDHSFO-QGZVFWFLSA-N 1 0 380.282 2.513 20 0 GFADRO C[NH2+]CCOCCN(C)C(=O)Nc1ccc(Cl)cc1OCC(F)(F)F ZINC000625861295 565663629 /nfs/dbraw/zinc/66/36/29/565663629.db2.gz LWSAQVQOIZVBPO-UHFFFAOYSA-N 1 0 383.798 2.981 20 0 GFADRO CCCN(C(=O)C(=O)N(C)Cc1c(Cl)cccc1Cl)[C@@H]1CC[N@H+](C)C1 ZINC000647568323 565663869 /nfs/dbraw/zinc/66/38/69/565663869.db2.gz KPJKZHYWPJGNJF-CYBMUJFWSA-N 1 0 386.323 2.895 20 0 GFADRO CC[C@H]([NH2+]C[C@@H](O)COc1cccc(C(F)(F)F)c1)[C@H](O)C(F)(F)F ZINC000647529434 565663962 /nfs/dbraw/zinc/66/39/62/565663962.db2.gz COUONEJRVMVODE-WXHSDQCUSA-N 1 0 375.309 2.737 20 0 GFADRO C[C@@H]1CC[C@H](NC(=O)Nc2ccnn2Cc2cccc(Br)c2)C[NH2+]1 ZINC000625880859 565664266 /nfs/dbraw/zinc/66/42/66/565664266.db2.gz RVFVJXKDYZXYKF-DOMZBBRYSA-N 1 0 392.301 2.956 20 0 GFADRO Cc1nccc(NC(=O)N2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1Br ZINC000625881196 565664294 /nfs/dbraw/zinc/66/42/94/565664294.db2.gz HYWPAMSVULXQBT-VHSXEESVSA-N 1 0 395.223 2.565 20 0 GFADRO CC1CC[NH+](C[C@H](O)CNC(=O)[C@@H]2C[C@@H]2c2ccc(Br)cc2)CC1 ZINC000599275639 565667095 /nfs/dbraw/zinc/66/70/95/565667095.db2.gz ZIQXGXBGQDFRRP-KZNAEPCWSA-N 1 0 395.341 2.762 20 0 GFADRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)c1cc(Br)cc2c1OCCO2 ZINC000668799262 565667750 /nfs/dbraw/zinc/66/77/50/565667750.db2.gz ASXAVXPXYODZFF-LBPRGKRZSA-N 1 0 383.286 2.634 20 0 GFADRO C[C@@H]1CN(C(=O)C[NH2+][C@@H](CN(C)C)c2ccc(Cl)c(Cl)c2)C[C@H](C)O1 ZINC000625983504 565668298 /nfs/dbraw/zinc/66/82/98/565668298.db2.gz RUJXJGXTOIAOMS-AHIWAGSCSA-N 1 0 388.339 2.822 20 0 GFADRO Cc1cc(Br)ccc1[C@@H]1CCC[N@@H+]1C[C@@H](O)CN1CCOCC1 ZINC000626009627 565669610 /nfs/dbraw/zinc/66/96/10/565669610.db2.gz NJSRKIPEDZBOHH-WMZOPIPTSA-N 1 0 383.330 2.588 20 0 GFADRO C[C@H]1C[C@H](c2ccc(Br)cc2)C[N@@H+]1CCC(=O)N1CCOCC1 ZINC000626040106 565672104 /nfs/dbraw/zinc/67/21/04/565672104.db2.gz XHJLWEQAAXVVMR-HOCLYGCPSA-N 1 0 381.314 2.876 20 0 GFADRO C[C@H]1C[C@@H](c2ccc(Br)cc2)C[N@@H+]1CCN1C(=O)CN(C)C1=O ZINC000626040671 565672790 /nfs/dbraw/zinc/67/27/90/565672790.db2.gz KEUPXXQMXJIKNH-GXTWGEPZSA-N 1 0 380.286 2.521 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)c(C)c1C(=O)N1CC[C@H](C[NH3+])C1 ZINC000647732365 565673673 /nfs/dbraw/zinc/67/36/73/565673673.db2.gz DKIVROKNBNTZGC-CYBMUJFWSA-N 1 0 377.286 2.672 20 0 GFADRO C[C@H]([NH3+])[C@H]1CN([C@@H](C)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CCO1 ZINC000647860600 565679470 /nfs/dbraw/zinc/67/94/70/565679470.db2.gz OFRBAZBTPGXROC-PKFCDNJMSA-N 1 0 379.810 2.734 20 0 GFADRO COC[C@@]1(C)C[N@H+](CCC(=O)Nc2ccc(Br)cc2F)CCO1 ZINC000626173342 565681175 /nfs/dbraw/zinc/68/11/75/565681175.db2.gz SATFNALPWPCHKN-MRXNPFEDSA-N 1 0 389.265 2.654 20 0 GFADRO O=C(c1ccc(Cl)cc1Cl)N1CCN(C(=O)[C@@H]2CCCCC[NH2+]2)CC1 ZINC000647922575 565683914 /nfs/dbraw/zinc/68/39/14/565683914.db2.gz DPQWXQTWDNTTPF-INIZCTEOSA-N 1 0 384.307 2.810 20 0 GFADRO O=C(Nc1cc(Cl)ccc1Cl)[C@@H]1CCCCN1C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000647964979 565684519 /nfs/dbraw/zinc/68/45/19/565684519.db2.gz ZKWHAKZVLVTPMR-SHUKQUCYSA-N 1 0 382.291 2.778 20 0 GFADRO O=C(NCC[N@H+]1CC[C@H](O)C1)Nc1ncc(Cc2cccc(Cl)c2)s1 ZINC000626229007 565685257 /nfs/dbraw/zinc/68/52/57/565685257.db2.gz UBMAKUNOLAXLAJ-AWEZNQCLSA-N 1 0 380.901 2.575 20 0 GFADRO NC(=O)[C@H](c1ccc(Br)cc1F)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647977564 565686527 /nfs/dbraw/zinc/68/65/27/565686527.db2.gz DPMVPHUPACGOAJ-XNJGSVPQSA-N 1 0 398.320 2.826 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CN(C(=O)NCC2(c3cccc(Br)c3)CCC2)CCO1 ZINC000669403508 565686588 /nfs/dbraw/zinc/68/65/88/565686588.db2.gz ZEPLAWKRLMOENY-CZUORRHYSA-N 1 0 396.329 2.628 20 0 GFADRO C[C@@H](CCCC[NH3+])NC(=O)NCCNc1ncc(C(F)(F)F)cc1Cl ZINC000669386322 565687208 /nfs/dbraw/zinc/68/72/08/565687208.db2.gz JYSAAJVBKDNLDX-JTQLQIEISA-N 1 0 381.830 2.982 20 0 GFADRO C[C@H](NC(=O)N[C@H]1CCC[NH2+]CC1)c1cc2c(cc1Br)OCCO2 ZINC000669399095 565687280 /nfs/dbraw/zinc/68/72/80/565687280.db2.gz ZAUYRNOBGMBZHZ-RYUDHWBXSA-N 1 0 398.301 2.723 20 0 GFADRO O=C(Nc1cc(-c2cc(Br)ccc2Cl)[nH]n1)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000648050817 565687883 /nfs/dbraw/zinc/68/78/83/565687883.db2.gz PQBHJMHTKYDPJU-QUUYKZCZSA-N 1 0 381.661 3.182 20 0 GFADRO O=C(NCc1cc(Br)ccc1OC(F)F)NC[C@H]1CCCC[NH2+]1 ZINC000669437158 565689190 /nfs/dbraw/zinc/68/91/90/565689190.db2.gz BIXPNIRUGLGSJI-GFCCVEGCSA-N 1 0 392.244 2.992 20 0 GFADRO CC1(OCC(=O)N2CCC(OCc3ccc(Cl)c(Cl)c3)CC2)C[NH2+]C1 ZINC000648096787 565691214 /nfs/dbraw/zinc/69/12/14/565691214.db2.gz XHOKJCJWGADLQU-UHFFFAOYSA-N 1 0 387.307 2.880 20 0 GFADRO CC[C@@H]1CN(C(=O)CCNC(=O)Nc2ccc(Br)cc2)CC[C@H]1[NH3+] ZINC000648124768 565691247 /nfs/dbraw/zinc/69/12/47/565691247.db2.gz BZBJMTTVRDSPRH-IUODEOHRSA-N 1 0 397.317 2.547 20 0 GFADRO O=C(NCC1C[NH2+]C1)N[C@H](CC(F)(F)F)c1ccc(Br)cc1 ZINC000669559118 565692096 /nfs/dbraw/zinc/69/20/96/565692096.db2.gz KJJNEXFMQGTKFV-GFCCVEGCSA-N 1 0 380.208 2.961 20 0 GFADRO CO[C@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)NCC1CC[NH2+]CC1 ZINC000669551805 565692274 /nfs/dbraw/zinc/69/22/74/565692274.db2.gz SRUKOLZYPLYVRF-WBMJQRKESA-N 1 0 384.318 2.824 20 0 GFADRO CN(C(=O)NCc1cc(Br)cc2c1OCC2)[C@H]1CCC[NH2+]CC1 ZINC000669561157 565692390 /nfs/dbraw/zinc/69/23/90/565692390.db2.gz QCXUKDDOISUTMH-HNNXBMFYSA-N 1 0 382.302 2.668 20 0 GFADRO COc1ccc(NC(=O)N[C@H]2CC[C@H](C)[NH2+]C2)c(I)c1 ZINC000599607524 565692429 /nfs/dbraw/zinc/69/24/29/565692429.db2.gz ZHFQCLSDNFLMBR-UWVGGRQHSA-N 1 0 389.237 2.562 20 0 GFADRO O=C(NC[C@H]1CCCC[NH2+]1)N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000669553903 565692500 /nfs/dbraw/zinc/69/25/00/565692500.db2.gz QZGIJSZCWLZHKW-ABAIWWIYSA-N 1 0 385.295 2.540 20 0 GFADRO CO[C@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000669551722 565692580 /nfs/dbraw/zinc/69/25/80/565692580.db2.gz GSUPTKDMFZRNEZ-KCXAZCMYSA-N 1 0 384.318 2.966 20 0 GFADRO C[C@H]1CC[C@@H](NC(=O)Nc2ccc(I)cc2F)C[NH2+]1 ZINC000599607076 565692642 /nfs/dbraw/zinc/69/26/42/565692642.db2.gz KBZWLIDZQBRJNE-WCBMZHEXSA-N 1 0 377.201 2.692 20 0 GFADRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)Nc1ccc(F)cc1I ZINC000599608386 565693209 /nfs/dbraw/zinc/69/32/09/565693209.db2.gz PMPWKANMHZCXEQ-CMPLNLGQSA-N 1 0 377.201 2.692 20 0 GFADRO C[C@@H](CC(=O)N1CCc2ccccc2[C@@H]1C[NH3+])n1cc(Br)cn1 ZINC000648199200 565693620 /nfs/dbraw/zinc/69/36/20/565693620.db2.gz CYAYNHWEHNAPBJ-LRDDRELGSA-N 1 0 377.286 2.681 20 0 GFADRO COc1cc(Br)ccc1[C@H](C)NC(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000669567883 565693706 /nfs/dbraw/zinc/69/37/06/565693706.db2.gz WKUVYTUKOACANH-YWPYICTPSA-N 1 0 382.302 2.912 20 0 GFADRO O=C(N[C@H]1CC[NH2+]C2(CCC2)C1)c1cc(Br)c2c(c1)OCCO2 ZINC000648184168 565693788 /nfs/dbraw/zinc/69/37/88/565693788.db2.gz XELKFRWNKGKWNI-LBPRGKRZSA-N 1 0 381.270 2.625 20 0 GFADRO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)CN1CC[C@@H]2CC[C@@H](O)[C@@H]21 ZINC000599680354 565696642 /nfs/dbraw/zinc/69/66/42/565696642.db2.gz AWFWSQHQXZXYJJ-LQBHMHGISA-N 1 0 387.263 2.564 20 0 GFADRO COc1cc(Br)c(C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)cc1OC ZINC000648293025 565700878 /nfs/dbraw/zinc/70/08/78/565700878.db2.gz HIYORXHZIWZGNS-LBPRGKRZSA-N 1 0 383.286 2.680 20 0 GFADRO CC(C)[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000669906869 565706791 /nfs/dbraw/zinc/70/67/91/565706791.db2.gz FNJJZYKWIMIONS-MQIPJXDCSA-N 1 0 383.945 2.897 20 0 GFADRO CC(C)[C@@H]1C[NH2+]CCN1C(=O)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000626844493 565713291 /nfs/dbraw/zinc/71/32/91/565713291.db2.gz LNMOQNIYLOGGIG-ZDUSSCGKSA-N 1 0 377.794 2.754 20 0 GFADRO Cc1ccc(-c2csc(NC(=O)C(=O)N3CC[NH2+]C[C@H]3C(C)C)n2)s1 ZINC000626847114 565713426 /nfs/dbraw/zinc/71/34/26/565713426.db2.gz LOTUILVDVLTAOP-ZDUSSCGKSA-N 1 0 378.523 2.575 20 0 GFADRO Cc1ccc(-c2csc(NC(=O)C(=O)N3CC[NH2+]C[C@@H]3C(C)C)n2)s1 ZINC000626847110 565713460 /nfs/dbraw/zinc/71/34/60/565713460.db2.gz LOTUILVDVLTAOP-CYBMUJFWSA-N 1 0 378.523 2.575 20 0 GFADRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)Nc1cc(Cl)c(Br)cc1C ZINC000626862392 565714437 /nfs/dbraw/zinc/71/44/37/565714437.db2.gz GJCOYYTVQMXMRT-NWDGAFQWSA-N 1 0 388.693 2.606 20 0 GFADRO COC(=O)CCN(Cc1ncc(Br)cc1F)C[C@H]1CCCO1 ZINC000600114819 565715422 /nfs/dbraw/zinc/71/54/22/565715422.db2.gz BJFZLENALRWIPK-GFCCVEGCSA-N 1 0 375.238 2.527 20 0 GFADRO COCC[C@@H](NC(=O)NCC1([NH3+])CCOCC1)c1ccc(Cl)c(Cl)c1 ZINC000627032432 565720795 /nfs/dbraw/zinc/72/07/95/565720795.db2.gz RWMDKCZNCQSNTM-OAHLLOKOSA-N 1 0 390.311 2.878 20 0 GFADRO C[C@]1(CNC(=O)NCc2cc(F)c(Br)cc2F)CCC[NH2+]C1 ZINC000627083181 565721589 /nfs/dbraw/zinc/72/15/89/565721589.db2.gz GJGIQPMZRXTKMB-HNNXBMFYSA-N 1 0 376.245 2.916 20 0 GFADRO CCO[C@@H]1CN(C(=O)NCC/C=C/c2ccc(Br)cc2)C[C@H]1C[NH3+] ZINC000627122907 565722179 /nfs/dbraw/zinc/72/21/79/565722179.db2.gz MACBLHVEKIRCRO-YEICVZNQSA-N 1 0 396.329 2.858 20 0 GFADRO C[NH2+]CCOCCN(C)C(=O)NCC/C=C\c1ccc(Br)cc1 ZINC000627122103 565722995 /nfs/dbraw/zinc/72/29/95/565722995.db2.gz DALSGJYWUKLGKE-HYXAFXHYSA-N 1 0 384.318 2.730 20 0 GFADRO C[NH+](C)C(C)(C)CNC(=O)C(=O)Nc1cc(Cl)c(Br)cc1F ZINC000627161775 565723713 /nfs/dbraw/zinc/72/37/13/565723713.db2.gz WUFNBAWBQLMXIA-UHFFFAOYSA-N 1 0 394.672 2.637 20 0 GFADRO [NH3+]C1(CNC(=O)N2CCc3sccc3[C@H]2c2cccs2)CCOCC1 ZINC000627153233 565723922 /nfs/dbraw/zinc/72/39/22/565723922.db2.gz SJQSNAJZBONDKE-INIZCTEOSA-N 1 0 377.535 2.975 20 0 GFADRO C[N@@H+]1CCCC[C@@H](CNC(=O)c2cc(I)ccc2F)C1 ZINC000600312361 565724062 /nfs/dbraw/zinc/72/40/62/565724062.db2.gz FTYKJXAFEHPGAM-NSHDSACASA-N 1 0 390.240 2.892 20 0 GFADRO C[NH2+]CCOCCNC(=O)N1CCC[C@H]1c1ccc(Br)s1 ZINC000627175366 565725196 /nfs/dbraw/zinc/72/51/96/565725196.db2.gz XRIMWTLJMLSDNF-NSHDSACASA-N 1 0 376.320 2.593 20 0 GFADRO C[C@@H]1[C@H](C(=O)NCC2(c3cccc(Br)c3)CCOCC2)CC[N@@H+]1C ZINC000648742274 565725994 /nfs/dbraw/zinc/72/59/94/565725994.db2.gz ZEYWTSCAGVKITO-RHSMWYFYSA-N 1 0 395.341 2.954 20 0 GFADRO Cc1cc(Br)cc(Cl)c1C(=O)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000627262757 565729524 /nfs/dbraw/zinc/72/95/24/565729524.db2.gz UAOVUUCYCXMWJG-QWHCGFSZSA-N 1 0 387.705 2.692 20 0 GFADRO O=C(c1cc2ccc(Br)cc2s1)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000627269517 565730134 /nfs/dbraw/zinc/73/01/34/565730134.db2.gz TZOBEMQJYJFAML-KGLIPLIRSA-N 1 0 395.322 2.945 20 0 GFADRO O=C(c1cc(Cl)c(Br)cc1F)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000627269385 565730430 /nfs/dbraw/zinc/73/04/30/565730430.db2.gz RKQZAGZADOLVOE-ZJUUUORDSA-N 1 0 391.668 2.523 20 0 GFADRO Cc1cc(Br)c(C(=O)N2CC[C@H]([N@@H+]3CC[C@H](O)C3)C2)cc1Cl ZINC000627267031 565730440 /nfs/dbraw/zinc/73/04/40/565730440.db2.gz ITAQRJQSWZEEFH-RYUDHWBXSA-N 1 0 387.705 2.692 20 0 GFADRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N[C@H](C)c1cc(F)c(Cl)cc1Cl ZINC000627291934 565731327 /nfs/dbraw/zinc/73/13/27/565731327.db2.gz IJAXAFLZKISIPG-NFMODRRSSA-N 1 0 376.259 2.566 20 0 GFADRO O=C(Nc1ncn(Cc2ccc(Br)cc2)n1)c1ccc2c[nH+]cn2c1 ZINC000670778747 565737523 /nfs/dbraw/zinc/73/75/23/565737523.db2.gz TUXNFMMEZFHVQS-UHFFFAOYSA-N 1 0 397.236 2.989 20 0 GFADRO C[C@H](CC(=O)N1CCN[C@@H](c2ccccc2)C1)n1cc(Br)cn1 ZINC000648925231 565739391 /nfs/dbraw/zinc/73/93/91/565739391.db2.gz APJKEVXOQQKVPJ-CZUORRHYSA-N 1 0 377.286 2.770 20 0 GFADRO Cc1cc(C)c(C(=O)NC[C@H]2CCC[N@@H+]2CCCO)c(C)c1Br ZINC000627570526 565740815 /nfs/dbraw/zinc/74/08/15/565740815.db2.gz LLBMUSKFZJUSQM-OAHLLOKOSA-N 1 0 383.330 2.951 20 0 GFADRO C[NH+](C)[C@@H]1[C@H]2CN(C(=O)c3cc(Br)ccc3OC(F)F)C[C@H]21 ZINC000627656664 565744932 /nfs/dbraw/zinc/74/49/32/565744932.db2.gz RCQRQBQKGGXYGU-PJXYFTJBSA-N 1 0 375.213 2.683 20 0 GFADRO CN(Cc1ccccc1Br)C(=O)CN(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000600726180 565746819 /nfs/dbraw/zinc/74/68/19/565746819.db2.gz LHWIJZCKBBTPBQ-MRXNPFEDSA-N 1 0 380.330 2.576 20 0 GFADRO COc1cc(CN[C@H]2CC[C@@H](C)[NH2+]C2)cc(I)c1OC ZINC000600777465 565749423 /nfs/dbraw/zinc/74/94/23/565749423.db2.gz UKYWHRNTPCXLJZ-PWSUYJOCSA-N 1 0 390.265 2.539 20 0 GFADRO C[NH+]1CCC2(CC1)CN(C(=O)[C@H]1CCc3cc(Br)ccc31)CCO2 ZINC000649129091 565749899 /nfs/dbraw/zinc/74/98/99/565749899.db2.gz LDKHJEMKRUQQRH-KRWDZBQOSA-N 1 0 393.325 2.802 20 0 GFADRO C[NH+]1CCC2(CC1)CN(C(=O)CCOc1cccc(Br)c1)CCO2 ZINC000649135969 565750651 /nfs/dbraw/zinc/75/06/51/565750651.db2.gz PWNDTIKCCUMIBB-UHFFFAOYSA-N 1 0 397.313 2.541 20 0 GFADRO Brc1cccc(-c2c[nH]c(C[NH2+]CCOC[C@@H]3CCOC3)n2)c1 ZINC000600800048 565750888 /nfs/dbraw/zinc/75/08/88/565750888.db2.gz KBMRKGJCPWZWRJ-CYBMUJFWSA-N 1 0 380.286 2.982 20 0 GFADRO CC[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000600880750 565754172 /nfs/dbraw/zinc/75/41/72/565754172.db2.gz SSHJLSZJZRFSGQ-HZPDHXFCSA-N 1 0 387.355 2.860 20 0 GFADRO Cc1nc(CSc2ccccc2C(=O)N2CCO[C@H]([C@@H](C)[NH3+])C2)cs1 ZINC000649274649 565757362 /nfs/dbraw/zinc/75/73/62/565757362.db2.gz SQOXHUWJDYOHGR-WBMJQRKESA-N 1 0 377.535 2.932 20 0 GFADRO O=C(CCCN1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)c1ccc(Br)cc1 ZINC000649284408 565757726 /nfs/dbraw/zinc/75/77/26/565757726.db2.gz UYVSFWZFTLKUDR-HKUYNNGSSA-N 1 0 395.341 2.943 20 0 GFADRO CCNC(=O)C[C@@H]1CCCC[N@@H+]1Cc1cn2cc(Br)ccc2n1 ZINC000671248785 565759961 /nfs/dbraw/zinc/75/99/61/565759961.db2.gz UZVKOSNZJLIEPP-HNNXBMFYSA-N 1 0 379.302 2.978 20 0 GFADRO CS(=O)(=O)N1CC(C[NH2+][C@H]2CCC[C@H]2c2cccc(C(F)(F)F)c2)C1 ZINC000671300154 565760516 /nfs/dbraw/zinc/76/05/16/565760516.db2.gz XAGMHAWFSFOTEY-HOTGVXAUSA-N 1 0 376.444 2.823 20 0 GFADRO O=C(NC[C@H]1CC[N@@H+]1C1CCCC1)C(=O)Nc1cccc(Br)c1 ZINC000627905836 565761165 /nfs/dbraw/zinc/76/11/65/565761165.db2.gz ZSWMHYBSXRCKEW-OAHLLOKOSA-N 1 0 380.286 2.521 20 0 GFADRO O=C(NC[C@@H]1CC[N@@H+]1C1CCCC1)C(=O)Nc1cc(Br)ccc1F ZINC000627907418 565761750 /nfs/dbraw/zinc/76/17/50/565761750.db2.gz WRKOTVBXZHVXLJ-ZDUSSCGKSA-N 1 0 398.276 2.660 20 0 GFADRO CN1CCC[C@@H]1C[N@@H+]1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000649554539 565765355 /nfs/dbraw/zinc/76/53/55/565765355.db2.gz DOHSBYSAYCIMDC-UKRRQHHQSA-N 1 0 381.318 2.589 20 0 GFADRO CC(C)(C)OC(=O)CCCC[NH2+]Cc1ccc(Cl)c(S(N)(=O)=O)c1 ZINC000601114422 565766867 /nfs/dbraw/zinc/76/68/67/565766867.db2.gz PIHNGNTXGGVNGI-UHFFFAOYSA-N 1 0 376.906 2.589 20 0 GFADRO CC(C)n1cc(Br)cc1C(=O)N1CCC([NH+]2CCOCC2)CC1 ZINC000628125446 565775258 /nfs/dbraw/zinc/77/52/58/565775258.db2.gz ZLYJMPSFFVEDDK-UHFFFAOYSA-N 1 0 384.318 2.768 20 0 GFADRO CCn1ccc(CC(=O)N(CC[NH+](C)C)Cc2ccc(Br)cc2)n1 ZINC000649726112 565776070 /nfs/dbraw/zinc/77/60/70/565776070.db2.gz QKKJYDJCQSRFHV-UHFFFAOYSA-N 1 0 393.329 2.798 20 0 GFADRO COc1ccc(C[C@@H](CO)C[NH2+]Cc2cc(C)c(Br)cn2)cc1O ZINC000628279702 565782292 /nfs/dbraw/zinc/78/22/92/565782292.db2.gz VPFPJZQTMCMFJF-CQSZACIVSA-N 1 0 395.297 2.808 20 0 GFADRO C[C@H](C[NH2+]Cc1c(C(F)(F)F)cnn1C)c1ccc(S(C)(=O)=O)cc1 ZINC000628383087 565787778 /nfs/dbraw/zinc/78/77/78/565787778.db2.gz UALAPBFGJFWEKG-LLVKDONJSA-N 1 0 375.416 2.736 20 0 GFADRO CC[C@H](C)[NH2+][C@@H](CNC(=O)CCn1cc(Br)cn1)c1ccco1 ZINC000650077445 565796504 /nfs/dbraw/zinc/79/65/04/565796504.db2.gz TWODAWKOKRBRGH-JSGCOSHPSA-N 1 0 383.290 2.874 20 0 GFADRO C[C@@H]1[C@H](C)N(C(=O)c2cc(Br)c3c(c2)OCCO3)[C@@H](C)C[N@@H+]1C ZINC000650149248 565799510 /nfs/dbraw/zinc/79/95/10/565799510.db2.gz AGYYMFFLFGRFSZ-TUAOUCFPSA-N 1 0 383.286 2.773 20 0 GFADRO CN(C)S(=O)(=O)N1CCC[C@@H]([NH2+][C@H]2CCc3cc(Cl)cc(Cl)c32)C1 ZINC000672616463 565812914 /nfs/dbraw/zinc/81/29/14/565812914.db2.gz CFFVWNFSDCBBGV-HIFRSBDPSA-N 1 0 392.352 2.841 20 0 GFADRO Cc1cc(C[NH2+][C@H]2CCCS(=O)(=O)CC2)ccc1I ZINC000602017737 565816263 /nfs/dbraw/zinc/81/62/63/565816263.db2.gz UEWJNBAKKOUKNJ-ZDUSSCGKSA-N 1 0 393.290 2.657 20 0 GFADRO CO[C@H](C(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1)[C@H]1CCOC1 ZINC000628969018 565817632 /nfs/dbraw/zinc/81/76/32/565817632.db2.gz JESIQZLWZBSYTP-MAZHCROVSA-N 1 0 375.296 2.764 20 0 GFADRO CNC(=O)c1cccc(NC(=O)N[C@H](C)C2CC[NH+](C)CC2)c1Br ZINC000672835820 565819737 /nfs/dbraw/zinc/81/97/37/565819737.db2.gz WGGHPBDZJOMINC-LLVKDONJSA-N 1 0 397.317 2.661 20 0 GFADRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3cnc4ncc(Br)cc4c3)CC[C@@H]21 ZINC000672885205 565820734 /nfs/dbraw/zinc/82/07/34/565820734.db2.gz ICUFKSLETNXIJH-LRDDRELGSA-N 1 0 389.297 2.949 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CNC(=O)N1CCN(c2cccc(Br)c2)CC1 ZINC000672895027 565821821 /nfs/dbraw/zinc/82/18/21/565821821.db2.gz PFNZMGNVXVBRAI-KRWDZBQOSA-N 1 0 395.345 2.765 20 0 GFADRO C[NH+]1CC2(C1)CCN(C(=O)c1ccc3[nH]cc(I)c3c1)C2 ZINC000602145135 565825563 /nfs/dbraw/zinc/82/55/63/565825563.db2.gz XMVPIOXVELYXRO-UHFFFAOYSA-N 1 0 395.244 2.550 20 0 GFADRO O=C(Cc1ccccc1I)N[C@H]1C[C@@H]([NH+]2CCCC2)C1 ZINC000602167673 565827995 /nfs/dbraw/zinc/82/79/95/565827995.db2.gz RDDNXKBRAGELIG-OKILXGFUSA-N 1 0 384.261 2.577 20 0 GFADRO CCO[C@@H]1CN(Cc2nc(-c3ccc(Br)cc3)c[nH]2)C[C@H]1C[NH3+] ZINC000650714700 565833262 /nfs/dbraw/zinc/83/32/62/565833262.db2.gz ZNUUTBKSZCUBBT-CZUORRHYSA-N 1 0 379.302 2.635 20 0 GFADRO Cc1cc(Br)cc2cc(C(=O)N[C@H](CO)C[NH+]3CCCC3)oc21 ZINC000673529755 565838922 /nfs/dbraw/zinc/83/89/22/565838922.db2.gz BRFWDMWOXDDTLX-AWEZNQCLSA-N 1 0 381.270 2.690 20 0 GFADRO CC(C)C[N@H+](C)CCCNC(=O)NCc1ccc(S(C)(=O)=O)c(Cl)c1 ZINC000651060571 565844700 /nfs/dbraw/zinc/84/47/00/565844700.db2.gz ULSGQJSSOIZFSE-UHFFFAOYSA-N 1 0 389.949 2.521 20 0 GFADRO C[C@H](NC(=O)NCC[N@H+](C)C1CC1)c1cc2c(cc1Br)OCCO2 ZINC000602413235 565846684 /nfs/dbraw/zinc/84/66/84/565846684.db2.gz ZLLKRSZTEDDAJU-NSHDSACASA-N 1 0 398.301 2.675 20 0 GFADRO C[C@H](NC(=O)C1([S@](C)=O)CC[NH2+]CC1)c1cc(F)c(Cl)cc1Cl ZINC000602431267 565847383 /nfs/dbraw/zinc/84/73/83/565847383.db2.gz CKKLKTUOXMHCOT-KLVQOETNSA-N 1 0 381.300 2.810 20 0 GFADRO [NH3+][C@@H]1CC=C(C(=O)NCCSCCOc2cccc(Br)c2)C1 ZINC000602456318 565848808 /nfs/dbraw/zinc/84/88/08/565848808.db2.gz XIRBNADPJJWWQH-CQSZACIVSA-N 1 0 385.327 2.725 20 0 GFADRO CC(C)C[N@H+](C)CCCNC(=O)N[C@H](CO)c1cccc(Br)c1 ZINC000651193704 565849804 /nfs/dbraw/zinc/84/98/04/565849804.db2.gz FGSPDLBFBKAVHG-MRXNPFEDSA-N 1 0 386.334 2.760 20 0 GFADRO C[S@@](=O)C1(C(=O)Nc2nc(/C=C/c3ccccc3)cs2)CC[NH2+]CC1 ZINC000602467328 565850074 /nfs/dbraw/zinc/85/00/74/565850074.db2.gz XGNPCKBNHMZLOA-LAUDKDLHSA-N 1 0 375.519 2.753 20 0 GFADRO CCOC(=O)CC[C@@H]1CCCN(Cc2ccc(Cl)c(S(N)(=O)=O)c2)C1 ZINC000602487502 565851241 /nfs/dbraw/zinc/85/12/41/565851241.db2.gz RBZJHFFJZIGFGG-ZDUSSCGKSA-N 1 0 388.917 2.543 20 0 GFADRO CCOC(=O)CC[C@H]1CCCN(Cc2ccc(Cl)c(S(N)(=O)=O)c2)C1 ZINC000602487501 565851281 /nfs/dbraw/zinc/85/12/81/565851281.db2.gz RBZJHFFJZIGFGG-CYBMUJFWSA-N 1 0 388.917 2.543 20 0 GFADRO C[NH+](C)CCn1cc(NC(=O)N2CCc3c(Br)cccc3C2)cn1 ZINC000673868931 565851466 /nfs/dbraw/zinc/85/14/66/565851466.db2.gz HFEGNXHWBWFXFA-UHFFFAOYSA-N 1 0 392.301 2.797 20 0 GFADRO Cc1cc(Br)ccc1CNC(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000673872447 565851499 /nfs/dbraw/zinc/85/14/99/565851499.db2.gz XZACBAZPKZSBCE-UHFFFAOYSA-N 1 0 380.290 2.837 20 0 GFADRO Cc1cc(C[NH3+])oc1C(=O)NCCc1ccc(I)cc1 ZINC000602535555 565853544 /nfs/dbraw/zinc/85/35/44/565853544.db2.gz NKFJXMKARFKJJR-UHFFFAOYSA-N 1 0 384.217 2.624 20 0 GFADRO COCCC[NH+]1CCC(NCc2ccc(I)s2)CC1 ZINC000602531671 565853767 /nfs/dbraw/zinc/85/37/67/565853767.db2.gz WKNHOPHYZMDXHJ-UHFFFAOYSA-N 1 0 394.322 2.943 20 0 GFADRO COCC[N@@H+]1CC[C@H](NC(=O)c2ccc(Br)c(OC(C)C)c2)C1 ZINC000651290459 565854464 /nfs/dbraw/zinc/85/44/64/565854464.db2.gz VDBBLNKXNJZSPZ-AWEZNQCLSA-N 1 0 385.302 2.687 20 0 GFADRO Cc1cc(Br)ccc1CNC(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000673978176 565855127 /nfs/dbraw/zinc/85/51/27/565855127.db2.gz UMHBMZVWLITNBH-INIZCTEOSA-N 1 0 386.359 2.994 20 0 GFADRO C[C@@H](NC(=O)Nc1ccc(NS(C)(=O)=O)c(Cl)c1)C1CC[NH+](C)CC1 ZINC000674023867 565857312 /nfs/dbraw/zinc/85/73/12/565857312.db2.gz MHJHGWJWIVVMMO-LLVKDONJSA-N 1 0 388.921 2.563 20 0 GFADRO Brc1cc2ncnc(NC3CC[NH+]([C@H]4CCOC4)CC3)c2s1 ZINC000651333187 565857448 /nfs/dbraw/zinc/85/74/48/565857448.db2.gz ABXKLTPQCQZDHL-NSHDSACASA-N 1 0 383.315 3.119 20 0 GFADRO C[NH+](C)C1(CNC(=O)[C@H]2CCOc3ccc(Br)cc32)CCOCC1 ZINC000651343931 565859086 /nfs/dbraw/zinc/85/90/86/565859086.db2.gz KOGJKLLUBJHXQO-AWEZNQCLSA-N 1 0 397.313 2.542 20 0 GFADRO CCOC(=O)c1cc(C[NH2+]C[C@@H](CO)Cc2ccccc2Br)on1 ZINC000602635467 565859265 /nfs/dbraw/zinc/85/92/65/565859265.db2.gz FLCJRFNZEQXYPZ-LBPRGKRZSA-N 1 0 397.269 2.555 20 0 GFADRO CC(=O)N(c1nc(CN(C)CCOCC[NH3+])cs1)c1cccc(Cl)c1 ZINC000629576789 565860327 /nfs/dbraw/zinc/86/03/27/565860327.db2.gz CQDANKHTLARQQJ-UHFFFAOYSA-N 1 0 382.917 2.888 20 0 GFADRO O[C@H](CNCc1c(F)c(F)c(Br)c(F)c1F)C[NH+]1CCCC1 ZINC000629580622 565860725 /nfs/dbraw/zinc/86/07/25/565860725.db2.gz VYXTTWJXOZPIPK-MRVPVSSYSA-N 1 0 385.199 2.552 20 0 GFADRO C[C@]12C[NH2+]C[C@@]1(C)CN(CC(=O)Nc1c(F)cc(F)cc1Br)C2 ZINC000629596565 565861521 /nfs/dbraw/zinc/86/15/21/565861521.db2.gz RUHAPOPDXAYNTJ-IYBDPMFKSA-N 1 0 388.256 2.597 20 0 GFADRO COCCOC[C@@H](O)C[NH2+][C@@H]1CCCSc2ccc(Br)cc21 ZINC000629594135 565861790 /nfs/dbraw/zinc/86/17/90/565861790.db2.gz KQLXECMTOIPTNS-DZGCQCFKSA-N 1 0 390.343 2.990 20 0 GFADRO O[C@H](C[NH2+]CC[C@@H]1CCCOC1)COc1cc(F)cc(Br)c1 ZINC000629589597 565862026 /nfs/dbraw/zinc/86/20/26/565862026.db2.gz WKAKRUUEWQRLCC-SWLSCSKDSA-N 1 0 376.266 2.734 20 0 GFADRO NC(=O)[C@H]1CC[C@H](C[NH2+]Cc2ccc(I)s2)CC1 ZINC000602699811 565863800 /nfs/dbraw/zinc/86/38/00/565863800.db2.gz ROFNVSRRXMWRMC-MGCOHNPYSA-N 1 0 378.279 2.734 20 0 GFADRO COc1ccc(Br)cc1C[C@H](CO)C[NH2+][C@H](C)c1c[nH]nc1C ZINC000651466805 565864674 /nfs/dbraw/zinc/86/46/74/565864674.db2.gz TWPOOMQGJZLQIW-YPMHNXCESA-N 1 0 382.302 2.991 20 0 GFADRO CCO[C@@H](CC[NH+](C)C)CNC(=O)[C@H]1CCOc2ccc(Br)cc21 ZINC000651466518 565864770 /nfs/dbraw/zinc/86/47/70/565864770.db2.gz CRPSFQKPDIXDMX-GJZGRUSLSA-N 1 0 399.329 2.788 20 0 GFADRO C[NH+](C)CCn1ccc(C(=O)N2CCc3cc(F)cc(Br)c3C2)n1 ZINC000629739958 565867544 /nfs/dbraw/zinc/86/75/44/565867544.db2.gz PLLHMFNGNXPTLV-UHFFFAOYSA-N 1 0 395.276 2.545 20 0 GFADRO Cc1cc(CCC(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)ccc1Br ZINC000674360767 565871514 /nfs/dbraw/zinc/87/15/14/565871514.db2.gz VPPLMUZGAODCDW-MSOLQXFVSA-N 1 0 395.341 2.748 20 0 GFADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)Nc1cc(Br)c(F)cc1Cl ZINC000674388086 565871583 /nfs/dbraw/zinc/87/15/83/565871583.db2.gz IQEMKNCKBWIPKX-SECBINFHSA-N 1 0 393.688 2.609 20 0 GFADRO Cc1cc(Br)sc1S(=O)(=O)N(C)[C@H]1CC[N@@H+](C)C[C@H]1C ZINC000651576809 565875231 /nfs/dbraw/zinc/87/52/31/565875231.db2.gz SPFMTVHNVHZLSN-MNOVXSKESA-N 1 0 381.361 2.780 20 0 GFADRO Cc1c2cc(Br)cc(C)c2oc1C(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000629916273 565875608 /nfs/dbraw/zinc/87/56/08/565875608.db2.gz VLVLJNVNYOUOLI-ZDUSSCGKSA-N 1 0 381.270 2.609 20 0 GFADRO O=C(NCC[N@H+]1CC[C@H](O)C1)c1csc(-c2ccc(Cl)cc2Cl)n1 ZINC000629913322 565875677 /nfs/dbraw/zinc/87/56/77/565875677.db2.gz XMEGTJCWNXTJAR-NSHDSACASA-N 1 0 386.304 2.913 20 0 GFADRO C[C@H](C(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1)c1cncnc1 ZINC000629973294 565877761 /nfs/dbraw/zinc/87/77/61/565877761.db2.gz NPGQGTLCAPRPDZ-AWEZNQCLSA-N 1 0 391.313 2.933 20 0 GFADRO C[NH+](C)[C@]1(CNC(=O)N2C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C2)CCSC1 ZINC000674639784 565879219 /nfs/dbraw/zinc/87/92/19/565879219.db2.gz YMSKWSAVAAZXBY-FOGDFJRCSA-N 1 0 393.397 2.806 20 0 GFADRO CC(C)N(Cc1ccc(Br)cc1)C(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000630026423 565879652 /nfs/dbraw/zinc/87/96/52/565879652.db2.gz KKBFQSQCUZGOAG-QGZVFWFLSA-N 1 0 380.330 2.576 20 0 GFADRO O[C@@H](C[N@@H+]1CC[C@H](Cc2ccc(Br)cc2)C1)CC1(O)CCOCC1 ZINC000630046414 565881090 /nfs/dbraw/zinc/88/10/90/565881090.db2.gz LVWVEDPYTXSCJP-SJLPKXTDSA-N 1 0 398.341 2.606 20 0 GFADRO O[C@H](C[N@@H+]1CCC[C@@H]1c1cccc(Br)c1)CC1(O)CCOCC1 ZINC000630039302 565881319 /nfs/dbraw/zinc/88/13/19/565881319.db2.gz XFBSKIBYVWGPHE-DLBZAZTESA-N 1 0 384.314 2.879 20 0 GFADRO CCn1cnnc1CC[NH2+]Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000674718182 565881458 /nfs/dbraw/zinc/88/14/58/565881458.db2.gz PPGCWGKJXFRMTB-UHFFFAOYSA-N 1 0 375.274 2.579 20 0 GFADRO O[C@@H](COC1CCOCC1)C[N@H+]1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000674845639 565884848 /nfs/dbraw/zinc/88/48/48/565884848.db2.gz YYPKWPQIIKKBQT-GRYCIOLGSA-N 1 0 379.341 2.606 20 0 GFADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCOc4ccc(Br)cc43)[C@@H]2C1 ZINC000651683212 565885116 /nfs/dbraw/zinc/88/51/16/565885116.db2.gz UNZNHDMUCCBCBY-XNRPHZJLSA-N 1 0 379.298 2.868 20 0 GFADRO Cc1ccc(OCc2nc(Cn3cc(CSCC[NH3+])nn3)cs2)cc1 ZINC000603194428 565888502 /nfs/dbraw/zinc/88/85/02/565888502.db2.gz QIRFKHYBQYKKGE-UHFFFAOYSA-N 1 0 375.523 2.862 20 0 GFADRO C[C@H](C(=O)OC(C)(C)C)n1cc([C@@H]([NH3+])c2ccc(Br)cc2)nn1 ZINC000603201164 565890416 /nfs/dbraw/zinc/89/04/16/565890416.db2.gz FZRKQHUOSRKTNV-YGRLFVJLSA-N 1 0 381.274 2.991 20 0 GFADRO CCOC(=O)c1csc(Cn2cc([C@H]([NH3+])c3ccc(Cl)cc3)nn2)n1 ZINC000603241116 565891557 /nfs/dbraw/zinc/89/15/57/565891557.db2.gz QUDJYMCAQNZYCX-OAHLLOKOSA-N 1 0 377.857 2.661 20 0 GFADRO C[N@@H+]1CCC[C@H](NC(=O)[C@@H](c2ccc(Br)cc2)N2CCCC2)C1 ZINC000675137745 565892648 /nfs/dbraw/zinc/89/26/48/565892648.db2.gz HYKPDMMQNXVRTM-DLBZAZTESA-N 1 0 380.330 2.796 20 0 GFADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)Nc1ccc(NS(C)(=O)=O)c(Cl)c1 ZINC000675162786 565893487 /nfs/dbraw/zinc/89/34/87/565893487.db2.gz AZUFKLNHTGXFIA-LBPRGKRZSA-N 1 0 388.921 2.707 20 0 GFADRO CCn1cnnc1CNC(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000630396060 565897921 /nfs/dbraw/zinc/89/79/21/565897921.db2.gz IAYUTGVFARIBAM-AWEZNQCLSA-N 1 0 385.299 2.707 20 0 GFADRO CS(=O)(=O)CCCC[NH2+]C1(c2ccc(Br)cc2)CCOCC1 ZINC000675287138 565898225 /nfs/dbraw/zinc/89/82/25/565898225.db2.gz VSLHNEAGMNYGHN-UHFFFAOYSA-N 1 0 390.343 2.869 20 0 GFADRO C[NH+]1CCN(CCCNC(=O)c2cccc3c(Br)cccc23)CC1 ZINC000630559049 565910133 /nfs/dbraw/zinc/91/01/33/565910133.db2.gz OAIMLJHZLWBWJI-UHFFFAOYSA-N 1 0 390.325 2.970 20 0 GFADRO CS(=O)(=O)N1CCC(C[NH2+][C@H]2CCc3cc(Br)ccc32)CC1 ZINC000675794357 565915861 /nfs/dbraw/zinc/91/58/61/565915861.db2.gz HIDTWNMIGHCYSW-INIZCTEOSA-N 1 0 387.343 2.698 20 0 GFADRO [NH3+]CC1(CCNC(=O)NC[C@H]2CCN(c3cccc(Br)c3)C2)CC1 ZINC000652138763 565916544 /nfs/dbraw/zinc/91/65/44/565916544.db2.gz PLKAFJYNKJVNGW-CQSZACIVSA-N 1 0 395.345 2.704 20 0 GFADRO CO[C@@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)NCCC1(C[NH3+])CC1 ZINC000652176051 565918321 /nfs/dbraw/zinc/91/83/21/565918321.db2.gz UECPXRWRESQBLA-IUODEOHRSA-N 1 0 384.318 2.953 20 0 GFADRO C[C@H](Oc1cc(Cl)cc(Cl)c1)C(=O)NCCCN1CCC[N@H+](C)CC1 ZINC000603898923 565918897 /nfs/dbraw/zinc/91/88/97/565918897.db2.gz LNSLKMFQOKEAKA-AWEZNQCLSA-N 1 0 388.339 2.905 20 0 GFADRO C[C@H](Cc1cccc(Br)c1)NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC000630830864 565921509 /nfs/dbraw/zinc/92/15/09/565921509.db2.gz XKIPOYWTPXGBEL-CYBMUJFWSA-N 1 0 379.302 2.568 20 0 GFADRO O=C(NCCC1CC[NH2+]CC1)N[C@@H](CCO)c1ccccc1Br ZINC000652318258 565921461 /nfs/dbraw/zinc/92/14/61/565921461.db2.gz RMHZJTAAUVZIGJ-INIZCTEOSA-N 1 0 384.318 2.562 20 0 GFADRO O=C(NCCC1CC[NH2+]CC1)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000652310599 565922164 /nfs/dbraw/zinc/92/21/64/565922164.db2.gz MLFGAYFTZOVAMN-UHFFFAOYSA-N 1 0 386.327 2.610 20 0 GFADRO CN(Cc1ccc2c(c1)C[NH2+]CC2)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000652341320 565922937 /nfs/dbraw/zinc/92/29/37/565922937.db2.gz DWMVXWBCTSMSQS-GOSISDBHSA-N 1 0 376.909 2.946 20 0 GFADRO C[NH+](C)CCOC1CCN(C(=O)NCc2csc(Br)c2)CC1 ZINC000604174687 565924315 /nfs/dbraw/zinc/92/43/15/565924315.db2.gz NZPIQUIRNAODTH-UHFFFAOYSA-N 1 0 390.347 2.763 20 0 GFADRO Cc1cc(Br)sc1S(=O)(=O)N1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000652372401 565924397 /nfs/dbraw/zinc/92/43/97/565924397.db2.gz JNPLOZKNQFMKDQ-IEBDPFPHSA-N 1 0 381.361 2.813 20 0 GFADRO C[C@H]1CCCN(S(=O)(=O)N(C)Cc2c(F)cccc2Cl)[C@@H]1CC[NH3+] ZINC000652377292 565925617 /nfs/dbraw/zinc/92/56/17/565925617.db2.gz DKYGHBGVBNLAHR-BLLLJJGKSA-N 1 0 377.913 2.605 20 0 GFADRO C[C@@H]1CCCN(S(=O)(=O)c2cc(Br)ccc2F)[C@@H]1CC[NH3+] ZINC000652378153 565926480 /nfs/dbraw/zinc/92/64/80/565926480.db2.gz ZUGKXGSHEURQLS-ZWNOBZJWSA-N 1 0 379.295 2.726 20 0 GFADRO O=C(CCN1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)Nc1c(Cl)cccc1Cl ZINC000604384527 565927798 /nfs/dbraw/zinc/92/77/98/565927798.db2.gz VMZVSAPWEYVDFJ-HOTGVXAUSA-N 1 0 386.323 2.853 20 0 GFADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)c1cccc2c(Br)cccc12 ZINC000630948144 565927786 /nfs/dbraw/zinc/92/77/86/565927786.db2.gz AEINPZQOYPRIHL-CQSZACIVSA-N 1 0 390.325 2.968 20 0 GFADRO COc1ccc(Br)cc1CN1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000604389073 565928268 /nfs/dbraw/zinc/92/82/68/565928268.db2.gz PQHRZWZTEKXUFX-KRWDZBQOSA-N 1 0 382.346 2.670 20 0 GFADRO C[C@H]([NH2+]Cc1ccc(Cl)c(S(N)(=O)=O)c1)c1ccc2c(c1)OCCO2 ZINC000631033897 565934963 /nfs/dbraw/zinc/93/49/63/565934963.db2.gz CCNVWSGDGAZVND-NSHDSACASA-N 1 0 382.869 2.609 20 0 GFADRO Cc1cc(Cl)cc(NC(=O)C(=O)NCCC2(C[NH3+])CC2)c1Br ZINC000652634331 565935992 /nfs/dbraw/zinc/93/59/92/565935992.db2.gz ZMEGFUNRKUHWEA-UHFFFAOYSA-N 1 0 388.693 2.595 20 0 GFADRO COc1ccccc1O[C@@H](C)C[NH2+]Cc1ccc(Cl)c(S(N)(=O)=O)c1 ZINC000631082803 565940139 /nfs/dbraw/zinc/94/01/39/565940139.db2.gz FSDCREDBCLIHDT-LBPRGKRZSA-N 1 0 384.885 2.553 20 0 GFADRO COc1cc(C[C@H](CO)C[NH2+]Cc2ccncc2Br)cc(OC)c1 ZINC000631082973 565940287 /nfs/dbraw/zinc/94/02/87/565940287.db2.gz LQJXXAFMYXGAJL-AWEZNQCLSA-N 1 0 395.297 2.802 20 0 GFADRO COCc1nc2n(n1)C[C@@H]([NH2+]Cc1cccc(Br)c1Cl)CC2 ZINC000631089719 565940514 /nfs/dbraw/zinc/94/05/14/565940514.db2.gz XTERPHZKHWMHJH-NSHDSACASA-N 1 0 385.693 2.945 20 0 GFADRO NS(=O)(=O)c1cc(C[NH2+]C[C@@H]2CSc3ccccc3O2)ccc1Cl ZINC000631166469 565945598 /nfs/dbraw/zinc/94/55/98/565945598.db2.gz UIFIUYWMKXPNRS-GFCCVEGCSA-N 1 0 384.910 2.630 20 0 GFADRO COc1cc(C[NH2+]CC(C)(C)[C@@]2(O)CCOC2)c(F)cc1Br ZINC000631164398 565945851 /nfs/dbraw/zinc/94/58/51/565945851.db2.gz CPYWYHQHXXMZDJ-MRXNPFEDSA-N 1 0 376.266 2.864 20 0 GFADRO C[C@@H]1COCCC[N@@H+]1C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000676711758 565946941 /nfs/dbraw/zinc/94/69/41/565946941.db2.gz HVDUZWASHWTAOH-DGCLKSJQSA-N 1 0 378.694 2.953 20 0 GFADRO CC(C)[C@H](O)[C@H]([NH2+]Cc1ccc(Cl)c(S(N)(=O)=O)c1)c1ccccc1 ZINC000631179186 565947253 /nfs/dbraw/zinc/94/72/53/565947253.db2.gz ZTUAXNYTASKFPG-MSOLQXFVSA-N 1 0 382.913 2.835 20 0 GFADRO COc1cc(C[NH2+]C[C@H](n2cncn2)C(F)(F)F)c(SC)cc1OC ZINC000631209987 565948003 /nfs/dbraw/zinc/94/80/03/565948003.db2.gz CWXWVRFKDRBXGV-AWEZNQCLSA-N 1 0 376.404 2.910 20 0 GFADRO Cc1cc(Br)cc(Cl)c1NC(=O)C(=O)NCC[N@@H+](C)C1CC1 ZINC000605243478 565948876 /nfs/dbraw/zinc/94/88/76/565948876.db2.gz MYHUFDBREFAFPM-UHFFFAOYSA-N 1 0 388.693 2.560 20 0 GFADRO C[NH+]1CCC(n2cc(NCc3c(Cl)cccc3S(C)(=O)=O)cn2)CC1 ZINC000631225312 565949658 /nfs/dbraw/zinc/94/96/58/565949658.db2.gz JUYOGFPELYCRJW-UHFFFAOYSA-N 1 0 382.917 2.819 20 0 GFADRO O=C([C@H]1CCC[N@@H+](Cc2cn3cc(Br)ccc3n2)C1)N1CCCC1 ZINC000605419796 565951259 /nfs/dbraw/zinc/95/12/59/565951259.db2.gz MHCWPDLWEHHUDQ-AWEZNQCLSA-N 1 0 391.313 2.931 20 0 GFADRO CN(C(=O)[C@H](N)CC[NH+](C)C)[C@@H]1CCSc2ccc(Br)cc21 ZINC000653086675 565954162 /nfs/dbraw/zinc/95/41/62/565954162.db2.gz ZFDUBZZZNTVQCL-ZIAGYGMSSA-N 1 0 386.359 2.723 20 0 GFADRO O=C(Nc1cc(Br)ccc1N1CCOCC1)[C@@H]1CCC[NH2+]CC1 ZINC000653105613 565955618 /nfs/dbraw/zinc/95/56/18/565955618.db2.gz CDTNMSYJVBAFTQ-CYBMUJFWSA-N 1 0 382.302 2.614 20 0 GFADRO O=C([C@@H]1CCOc2ccc(Br)cc21)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000653140577 565956112 /nfs/dbraw/zinc/95/61/12/565956112.db2.gz GTMVMMQQCNSFGN-KDOFPFPSSA-N 1 0 379.298 2.917 20 0 GFADRO O=C(NCc1noc(-c2cccc(Br)c2)n1)[C@@H]1CCC[NH2+]CC1 ZINC000653160744 565956177 /nfs/dbraw/zinc/95/61/77/565956177.db2.gz UVKVXCAOORREJV-LLVKDONJSA-N 1 0 379.258 2.505 20 0 GFADRO Cc1c(Br)c2ccccc2n1CC(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000653142767 565956449 /nfs/dbraw/zinc/95/64/49/565956449.db2.gz WQLMZKARCCRJAW-HNNXBMFYSA-N 1 0 376.298 2.971 20 0 GFADRO [NH3+]C[C@]12CCC[C@H]1CN(C(=O)C1=Cc3cc(Br)ccc3OC1)C2 ZINC000653196856 565958497 /nfs/dbraw/zinc/95/84/97/565958497.db2.gz BYLCZSSGSOWQAP-KSSFIOAISA-N 1 0 377.282 2.812 20 0 GFADRO C[C@@H]1CCCN(C(=O)c2cc(Br)c3c(c2)OCCO3)[C@H]1CC[NH3+] ZINC000653238501 565959690 /nfs/dbraw/zinc/95/96/90/565959690.db2.gz QTIXOTQBBCIQRB-RISCZKNCSA-N 1 0 383.286 2.810 20 0 GFADRO CN1CCN(S(=O)(=O)c2onc(C3CC3)c2Cl)[C@H](c2ccccc2)C1 ZINC000631677704 565967445 /nfs/dbraw/zinc/96/74/45/565967445.db2.gz CWSFNBTYMXTQLA-AWEZNQCLSA-N 1 0 381.885 2.883 20 0 GFADRO CC[C@H]([NH2+][C@@H](C)[C@H](O)C(F)(F)F)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000631716402 565969811 /nfs/dbraw/zinc/96/98/11/565969811.db2.gz LDECQSGVVXPXNH-QWRKXWFKSA-N 1 0 388.839 2.601 20 0 GFADRO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNS(=O)(=O)c1c[nH]c(=O)s1 ZINC000631756951 565972194 /nfs/dbraw/zinc/97/21/94/565972194.db2.gz SNWHRBLSSIWEKG-ZDUSSCGKSA-N 1 0 381.523 2.702 20 0 GFADRO COc1cc(C[NH2+][C@H]2CCC[C@H](S(C)(=O)=O)C2)c(Br)cc1O ZINC000607169211 565980568 /nfs/dbraw/zinc/98/05/68/565980568.db2.gz MBEDDKBUYOFNJQ-RYUDHWBXSA-N 1 0 392.315 2.609 20 0 GFADRO COc1cc(Br)c(CNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)cc1OC ZINC000607280867 565982518 /nfs/dbraw/zinc/98/25/18/565982518.db2.gz XDLDPTFEDLEBKE-VXGBXAGGSA-N 1 0 385.302 2.955 20 0 GFADRO O=S(=O)(c1cscc1Br)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000631908635 565982624 /nfs/dbraw/zinc/98/26/24/565982624.db2.gz VSNQHZDQJNEHNQ-ZYHUDNBSSA-N 1 0 379.345 2.663 20 0 GFADRO Cc1cc(Cl)c(Br)cc1S(=O)(=O)N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000631931205 565985033 /nfs/dbraw/zinc/98/50/33/565985033.db2.gz IARCTHLEWDEVSV-VHSXEESVSA-N 1 0 381.723 2.769 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000677869270 565985241 /nfs/dbraw/zinc/98/52/41/565985241.db2.gz WAYKHVAMHLLJSF-AWEZNQCLSA-N 1 0 377.286 2.767 20 0 GFADRO O=C(COc1ccccc1Br)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000677859601 565985639 /nfs/dbraw/zinc/98/56/39/565985639.db2.gz BZIDKSKINITJPZ-HNNXBMFYSA-N 1 0 397.313 2.541 20 0 GFADRO CC[C@@H]([NH2+]Cc1nnnn1-c1ccccc1Br)[C@H]1CCCCO1 ZINC000653878265 565986377 /nfs/dbraw/zinc/98/63/77/565986377.db2.gz YFNCJTDPPHGTCK-UKRRQHHQSA-N 1 0 380.290 2.862 20 0 GFADRO CN(C(=O)[C@@H]1CCN(c2cc(Cl)ccc2Cl)C1=O)[C@@H]1CCC[N@H+](C)C1 ZINC000607686808 565987310 /nfs/dbraw/zinc/98/73/10/565987310.db2.gz TWBKYIVKHVXXNP-KGLIPLIRSA-N 1 0 384.307 2.899 20 0 GFADRO CN(C(=O)[C@@]12CCC(=O)N1c1cc(Cl)ccc1S2)[C@H]1CCC[N@H+](C)C1 ZINC000607687071 565987387 /nfs/dbraw/zinc/98/73/87/565987387.db2.gz AGMVHEVJHYYJCA-UGSOOPFHSA-N 1 0 379.913 2.821 20 0 GFADRO O=S(=O)(c1cc(C(F)(F)F)ccc1Br)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000631971554 565988226 /nfs/dbraw/zinc/98/82/26/565988226.db2.gz NGZATLWWSVASNX-AOOOYVTPSA-N 1 0 399.232 2.593 20 0 GFADRO O=C([C@H]1C[N@@H+]2CCN1CCC2)N1CCC[C@@H]1c1ccccc1Br ZINC000677912314 565988857 /nfs/dbraw/zinc/98/88/57/565988857.db2.gz UNYLGGDMIPUQTB-IAGOWNOFSA-N 1 0 378.314 2.503 20 0 GFADRO CN(Cc1cc(Br)cs1)C(=O)C[N@@H+]1CCC[C@H](CCO)C1 ZINC000607733040 565989305 /nfs/dbraw/zinc/98/93/05/565989305.db2.gz HHUAMUJEHYMJBL-GFCCVEGCSA-N 1 0 375.332 2.563 20 0 GFADRO COCCNC(=O)C1CC[NH+](CCOc2cc(Cl)cc(Cl)c2)CC1 ZINC000607726128 565989348 /nfs/dbraw/zinc/98/93/48/565989348.db2.gz IQKAKKCDDUHDAO-UHFFFAOYSA-N 1 0 375.296 2.847 20 0 GFADRO O=S(=O)(c1cc(Cl)ccc1OC(F)F)N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631993086 565989695 /nfs/dbraw/zinc/98/96/95/565989695.db2.gz KLVIPASSGIBFJJ-JQWIXIFHSA-N 1 0 380.844 2.704 20 0 GFADRO C[C@H](Cc1ccc(Br)cc1)C(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000677964811 565990019 /nfs/dbraw/zinc/99/00/19/565990019.db2.gz GNRWKKCSSLSFFV-JLSDUUJJSA-N 1 0 395.341 2.685 20 0 GFADRO Brc1cccc(C2([NH2+]C[C@H]3CNc4ccnn4C3)CCOCC2)c1 ZINC000608056498 566001147 /nfs/dbraw/zinc/00/11/47/566001147.db2.gz MPKUZJVOASDBKE-CQSZACIVSA-N 1 0 391.313 2.983 20 0 GFADRO CC(C)[C@H]([NH2+]Cc1cnc2ccc(Br)cn12)C(=O)N1CCCC1 ZINC000608057290 566001324 /nfs/dbraw/zinc/00/13/24/566001324.db2.gz HWLIUEGFRNKVQT-INIZCTEOSA-N 1 0 379.302 2.833 20 0 GFADRO CCOc1c(Br)cc(C[NH2+][C@@H]2CC(=O)N([C@@H]3C[C@H]3C)C2)cc1OC ZINC000608073184 566002405 /nfs/dbraw/zinc/00/24/05/566002405.db2.gz YNLLMUDLRYZYBT-UXIGCNINSA-N 1 0 397.313 2.955 20 0 GFADRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)N1CCOc2cccc(Br)c2C1 ZINC000654386469 566007581 /nfs/dbraw/zinc/00/75/81/566007581.db2.gz XPNFGVFUCLEPEQ-HOTGVXAUSA-N 1 0 394.313 2.980 20 0 GFADRO O=C(Nc1ccc(Br)c(F)c1)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000608328554 566010585 /nfs/dbraw/zinc/01/05/85/566010585.db2.gz BKUMRAWHJXNRDF-LSDHHAIUSA-N 1 0 386.265 2.651 20 0 GFADRO Cc1c([C@@H](C)[NH2+]CCc2nnnn2C)cnn1-c1ccc(Cl)cc1Cl ZINC000678548603 566012353 /nfs/dbraw/zinc/01/23/53/566012353.db2.gz OGCDYMUQMKFKEW-SNVBAGLBSA-N 1 0 380.283 2.904 20 0 GFADRO C[C@@H]([NH2+]CCCN1CCCS1(=O)=O)c1ccc(Br)c(F)c1 ZINC000678581891 566013147 /nfs/dbraw/zinc/01/31/47/566013147.db2.gz DJKXYCCXUJHOLU-LLVKDONJSA-N 1 0 379.295 2.664 20 0 GFADRO CC[C@@H]([NH2+]CCCN1CCCS1(=O)=O)c1cccc(Br)c1 ZINC000678583604 566013409 /nfs/dbraw/zinc/01/34/09/566013409.db2.gz WYCIMTKQCNMXSO-OAHLLOKOSA-N 1 0 375.332 2.915 20 0 GFADRO O=S1(=O)CCCN1CCC[NH2+][C@@H]1CCc2c1c(Br)ccc2F ZINC000678582473 566013433 /nfs/dbraw/zinc/01/34/33/566013433.db2.gz IMNNIMRVIZFQSR-CQSZACIVSA-N 1 0 391.306 2.591 20 0 GFADRO C[C@H]([NH2+]Cc1cc(Br)ccc1OC(F)F)[C@H]1CN(C)CCO1 ZINC000678623150 566014693 /nfs/dbraw/zinc/01/46/93/566014693.db2.gz IDDADMQTOSSNFF-IINYFYTJSA-N 1 0 379.245 2.859 20 0 GFADRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)NCc2cc(F)c(F)cc2Br)C1 ZINC000654563015 566014954 /nfs/dbraw/zinc/01/49/54/566014954.db2.gz WDNRZJZWRAZDJD-JGZJWPJOSA-N 1 0 376.245 2.867 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)N(C)CCOc1ccc(Br)cc1 ZINC000608698194 566021159 /nfs/dbraw/zinc/02/11/59/566021159.db2.gz KSCRNZINCKZIND-OAHLLOKOSA-N 1 0 384.318 2.954 20 0 GFADRO CCC[N@H+](C)[C@@H](CNS(=O)(=O)c1c[nH]c(=O)s1)c1ccc(Cl)cc1 ZINC000632326518 566021685 /nfs/dbraw/zinc/02/16/85/566021685.db2.gz AKZUELUCMYRKER-ZDUSSCGKSA-N 1 0 389.930 2.864 20 0 GFADRO O=C(Nc1ccc(Br)cc1)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000654947394 566031738 /nfs/dbraw/zinc/03/17/38/566031738.db2.gz TYTKPYGRSAFHIR-HUUCEWRRSA-N 1 0 380.286 2.521 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000654945481 566032085 /nfs/dbraw/zinc/03/20/85/566032085.db2.gz BWGCXDTVWDRNJO-GOEBONIOSA-N 1 0 394.313 2.829 20 0 GFADRO CCOC(=O)CC[N@H+](C)C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000609284183 566034296 /nfs/dbraw/zinc/03/42/96/566034296.db2.gz ICWSGUOCRCPTMX-GFCCVEGCSA-N 1 0 394.693 2.727 20 0 GFADRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)CSCc3ccc(Cl)cc3)CC2)C1 ZINC000609665340 566049224 /nfs/dbraw/zinc/04/92/24/566049224.db2.gz JJXMYSOVMUNRTR-GOSISDBHSA-N 1 0 381.973 2.812 20 0 GFADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)CSCc3ccc(Cl)cc3)CC2)C1 ZINC000609665341 566049394 /nfs/dbraw/zinc/04/93/94/566049394.db2.gz JJXMYSOVMUNRTR-SFHVURJKSA-N 1 0 381.973 2.812 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)CCC[N@@H+]1CCNC(=O)CC1 ZINC000679817575 566053181 /nfs/dbraw/zinc/05/31/81/566053181.db2.gz KSJILUMLIVSXEO-UHFFFAOYSA-N 1 0 382.302 2.607 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000655431329 566056629 /nfs/dbraw/zinc/05/66/29/566056629.db2.gz DCVDQCQPIIICON-KDOFPFPSSA-N 1 0 394.313 2.592 20 0 GFADRO O=C(NCCOc1ncc(C(F)(F)F)cc1Cl)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000655448957 566056898 /nfs/dbraw/zinc/05/68/98/566056898.db2.gz CDRZITRZMFJDGJ-ABAIWWIYSA-N 1 0 377.794 2.639 20 0 GFADRO CO[C@@H](C(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2)c1ccccc1Br ZINC000655451154 566057606 /nfs/dbraw/zinc/05/76/06/566057606.db2.gz DBVGJNWFZHLTBT-SJKOYZFVSA-N 1 0 390.281 2.986 20 0 GFADRO O=C(N[C@@H]1CCN(c2ccc(Br)cc2)C1)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000655447129 566057627 /nfs/dbraw/zinc/05/76/27/566057627.db2.gz RGJBOJORVRSAHZ-HFTRVMKXSA-N 1 0 378.314 2.534 20 0 GFADRO O=C(NCCCc1c(Cl)cccc1Cl)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000655490552 566059757 /nfs/dbraw/zinc/05/97/57/566059757.db2.gz NJTASBUAJXJHSE-GFCCVEGCSA-N 1 0 382.295 2.700 20 0 GFADRO [NH3+]C[C@@H](NC(=O)CCNc1ncc(C(F)(F)F)cc1Cl)C(F)(F)F ZINC000655514071 566063030 /nfs/dbraw/zinc/06/30/30/566063030.db2.gz MBNPEVBTHGJUMA-MRVPVSSYSA-N 1 0 378.704 2.562 20 0 GFADRO Cc1c(Br)cccc1CS(=O)(=O)N(C)[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000655523588 566064219 /nfs/dbraw/zinc/06/42/19/566064219.db2.gz LQHKTYZQYLXRFU-LRDDRELGSA-N 1 0 389.359 2.859 20 0 GFADRO CC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)Cc2cccc(Br)c2C)C1 ZINC000655527688 566064278 /nfs/dbraw/zinc/06/42/78/566064278.db2.gz YWZHVSPAYOHHAG-AWEZNQCLSA-N 1 0 389.359 2.861 20 0 GFADRO COc1cc(NC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)ncc1Br ZINC000680368544 566068432 /nfs/dbraw/zinc/06/84/32/566068432.db2.gz PFMUUWKMPBYZBS-GFCCVEGCSA-N 1 0 383.290 2.802 20 0 GFADRO O=C(c1ccn(-c2cccc(Br)c2)n1)N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000632860514 566071215 /nfs/dbraw/zinc/07/12/15/566071215.db2.gz KZICKKOXDFFWQX-SUMWQHHRSA-N 1 0 389.297 2.849 20 0 GFADRO COc1ccc(CCC(=O)N2CCC[C@H]3C[NH2+]CC[C@@H]32)cc1Br ZINC000632860181 566071356 /nfs/dbraw/zinc/07/13/56/566071356.db2.gz JOUNEXWHGFPAIG-HOCLYGCPSA-N 1 0 381.314 2.991 20 0 GFADRO COc1cc(C(=O)N2CCC[C@@H]3C[NH2+]CC[C@H]32)cc(Br)c1OC ZINC000632874093 566072538 /nfs/dbraw/zinc/07/25/38/566072538.db2.gz DGBZDJPEEZHVJV-BXUZGUMPSA-N 1 0 383.286 2.680 20 0 GFADRO Cc1c(Br)cccc1CS(=O)(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000655608730 566072634 /nfs/dbraw/zinc/07/26/34/566072634.db2.gz HSCYKAQTMUYQMC-CQSZACIVSA-N 1 0 375.332 2.613 20 0 GFADRO C[NH+](C)[C@H]1C[C@@H](CNS(=O)(=O)Cc2ccc(Cl)cc2Br)C1 ZINC000655632475 566074517 /nfs/dbraw/zinc/07/45/17/566074517.db2.gz MJHROVXHXVWFOP-GSJFWJNXSA-N 1 0 395.750 2.862 20 0 GFADRO CCOc1c(Cl)cc(NC(=O)N2CCC([NH2+]CCO)CC2)cc1Cl ZINC000632932814 566075335 /nfs/dbraw/zinc/07/53/35/566075335.db2.gz BYXBBJQXEFJDLN-UHFFFAOYSA-N 1 0 376.284 2.970 20 0 GFADRO C[C@@H]1C[C@H]([NH3+])CN1C(=O)Nc1ccnn1Cc1ccc(Br)cc1 ZINC000632936831 566075668 /nfs/dbraw/zinc/07/56/68/566075668.db2.gz PWRCGAUVBJSMOE-RISCZKNCSA-N 1 0 378.274 2.647 20 0 GFADRO Cc1ccoc1C[NH2+]C[C@@H](O)COc1ccc(I)cc1 ZINC000610270852 566075870 /nfs/dbraw/zinc/07/58/70/566075870.db2.gz IWDGZVXICRJHJO-CYBMUJFWSA-N 1 0 387.217 2.722 20 0 GFADRO O=C(Nc1cc(Cl)c(Br)cc1F)N1CCC([NH2+]CCO)CC1 ZINC000632954564 566076476 /nfs/dbraw/zinc/07/64/76/566076476.db2.gz CHIAANQNQITPHI-UHFFFAOYSA-N 1 0 394.672 2.820 20 0 GFADRO Cc1cc(Br)ccc1C(=O)N1CCC([NH2+]CC(C)(C)CO)CC1 ZINC000680636259 566078994 /nfs/dbraw/zinc/07/89/94/566078994.db2.gz CXLMXVXMIKYAMQ-UHFFFAOYSA-N 1 0 383.330 2.970 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N[C@H]2CC[NH2+]CC(C)(C)C2)c(Br)c1 ZINC000633046724 566082143 /nfs/dbraw/zinc/08/21/43/566082143.db2.gz YZMNXMUDPASXOB-ZDUSSCGKSA-N 1 0 396.329 2.899 20 0 GFADRO CN1CC[NH+]([C@H]2CC[C@@H](NC(=O)c3sccc3Br)CC2)CC1 ZINC000680841508 566083989 /nfs/dbraw/zinc/08/39/89/566083989.db2.gz UWPZIQNNMUOVPO-BETUJISGSA-N 1 0 386.359 2.799 20 0 GFADRO CN(C)C(=O)C1CC[NH+](C[C@@H](O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000680859084 566085533 /nfs/dbraw/zinc/08/55/33/566085533.db2.gz UKSWCRFPMRWJCB-CYBMUJFWSA-N 1 0 375.296 2.533 20 0 GFADRO Cc1nn(-c2cccc(Br)c2)cc1C[NH2+][C@@H]1CCCN(C)C1=O ZINC000655745080 566086032 /nfs/dbraw/zinc/08/60/32/566086032.db2.gz ZIOKJOABRASZJQ-MRXNPFEDSA-N 1 0 377.286 2.654 20 0 GFADRO CCC[C@H](O)[C@H](CO)[NH2+]Cc1cn(-c2cccc(Br)c2)nc1C ZINC000655779968 566088318 /nfs/dbraw/zinc/08/83/18/566088318.db2.gz CKOSAALAJXXHII-IRXDYDNUSA-N 1 0 382.302 2.555 20 0 GFADRO C[C@@H](c1ccccc1Cl)N1CCN(C(=O)N[C@H](C[NH3+])C(F)(F)F)CC1 ZINC000655911991 566095064 /nfs/dbraw/zinc/09/50/64/566095064.db2.gz QDPUSCKVIMZOQW-SMDDNHRTSA-N 1 0 378.826 2.618 20 0 GFADRO C[C@@H](NC(=O)CCn1cc(Br)cn1)[C@H](c1ccccc1)[NH+](C)C ZINC000681145106 566095425 /nfs/dbraw/zinc/09/54/25/566095425.db2.gz CVAMQKRVKCAMHL-CXAGYDPISA-N 1 0 379.302 2.843 20 0 GFADRO C[C@@H](c1ccc(Cl)cc1)N1CCN(C(=O)N[C@@H](C[NH3+])C(F)(F)F)CC1 ZINC000655917948 566095764 /nfs/dbraw/zinc/09/57/64/566095764.db2.gz BURRDNAPMSSIRZ-FZMZJTMJSA-N 1 0 378.826 2.618 20 0 GFADRO [NH3+]C[C@H](NC(=O)N[C@H]1CSc2ccc(Br)cc21)C(F)(F)F ZINC000655930049 566096404 /nfs/dbraw/zinc/09/64/04/566096404.db2.gz YTFBHIPDXMUMJV-WPRPVWTQSA-N 1 0 384.221 2.785 20 0 GFADRO COc1ccc(Br)cc1C1(NC(=O)N[C@H](C[NH3+])C(F)(F)F)CC1 ZINC000655930859 566096911 /nfs/dbraw/zinc/09/69/11/566096911.db2.gz DJIKQNYKOCDEKZ-LLVKDONJSA-N 1 0 396.207 2.636 20 0 GFADRO CC[C@@H]1C[N@H+](CC)CCN1C(=O)c1ccc2cncc(Br)c2n1 ZINC000633334708 566097042 /nfs/dbraw/zinc/09/70/42/566097042.db2.gz VBGYPLKDGSNLOH-CYBMUJFWSA-N 1 0 377.286 2.949 20 0 GFADRO [NH3+]C[C@H](NC(=O)Nc1cc(-c2ccc(Br)s2)[nH]n1)C(F)(F)F ZINC000655931294 566097083 /nfs/dbraw/zinc/09/70/83/566097083.db2.gz IITVWPSGDJAMNJ-ZETCQYMHSA-N 1 0 398.208 2.912 20 0 GFADRO [NH3+]C[C@H](NC(=O)N1CC[C@@H](c2cccc(Br)c2)C1)C(F)(F)F ZINC000655931821 566097819 /nfs/dbraw/zinc/09/78/19/566097819.db2.gz PWLDQQQZQQVKLB-PWSUYJOCSA-N 1 0 380.208 2.838 20 0 GFADRO C[C@@H](NC(=O)c1cc(I)ccc1F)C1CC[NH+](C)CC1 ZINC000610773178 566098497 /nfs/dbraw/zinc/09/84/97/566098497.db2.gz YJGAGNIAVVYZDX-SNVBAGLBSA-N 1 0 390.240 2.890 20 0 GFADRO Cc1c(Br)cccc1CS(=O)(=O)N[C@@](C)(C[NH3+])CC(C)C ZINC000655950551 566098608 /nfs/dbraw/zinc/09/86/08/566098608.db2.gz NWGUCHDSTPOBQW-OAHLLOKOSA-N 1 0 377.348 2.940 20 0 GFADRO Cc1c(Br)cccc1CS(=O)(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000655952157 566099195 /nfs/dbraw/zinc/09/91/95/566099195.db2.gz JOFFEDGATDIJRF-HDJSIYSDSA-N 1 0 389.359 2.942 20 0 GFADRO Cc1sc(Br)cc1S(=O)(=O)N1CC2CCC1(C[NH3+])CC2 ZINC000655954869 566099381 /nfs/dbraw/zinc/09/93/81/566099381.db2.gz CYYVLZMNGXYFFI-UHFFFAOYSA-N 1 0 379.345 2.711 20 0 GFADRO CN(CCC[NH+](C)C)C(=O)NCCC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000656026185 566101053 /nfs/dbraw/zinc/10/10/53/566101053.db2.gz VVVJMTZZGMTOKT-UHFFFAOYSA-N 1 0 375.300 2.915 20 0 GFADRO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)NCCCc2c(Cl)cccc2Cl)C1 ZINC000656030472 566102107 /nfs/dbraw/zinc/10/21/07/566102107.db2.gz TWVSZRRLYZQXEN-ZDUSSCGKSA-N 1 0 386.323 2.500 20 0 GFADRO [NH3+]CCC1CCN(C(=O)C(=O)NCCCc2c(Cl)cccc2Cl)CC1 ZINC000656030839 566102324 /nfs/dbraw/zinc/10/23/24/566102324.db2.gz YHQPACVYDRMNEF-UHFFFAOYSA-N 1 0 386.323 2.630 20 0 GFADRO Cc1nc(C(=O)N2CCc3[nH]cnc3C23CCOCC3)c(Br)s1 ZINC000633527639 566107667 /nfs/dbraw/zinc/10/76/67/566107667.db2.gz AUVPGQSYURAAPH-UHFFFAOYSA-N 1 0 397.298 2.641 20 0 GFADRO O=C(c1cscc1Br)N1CCc2[nH]cnc2C12CCOCC2 ZINC000633527702 566108378 /nfs/dbraw/zinc/10/83/78/566108378.db2.gz DDWCTVMLVOINLN-UHFFFAOYSA-N 1 0 382.283 2.938 20 0 GFADRO O=c1cc(C[N@@H+]2CCOCC3(CCCC3)C2)nc2ccc(Br)cn12 ZINC000681475932 566110326 /nfs/dbraw/zinc/11/03/26/566110326.db2.gz KRMDNSLFNOKYRI-UHFFFAOYSA-N 1 0 392.297 2.850 20 0 GFADRO CS[C@@H]1CN(C[C@@H](O)COc2ccc(Cl)c(Cl)c2)C[C@H]1[NH+](C)C ZINC000611432602 566128674 /nfs/dbraw/zinc/12/86/74/566128674.db2.gz WBCGRPYMNSUDSL-HFBAOOFYSA-N 1 0 379.353 2.711 20 0 GFADRO C[NH+](C)CCn1cc(NC(=O)NCCc2cccc(Br)c2)cn1 ZINC000656503256 566129234 /nfs/dbraw/zinc/12/92/34/566129234.db2.gz LBQYGFZWIQVTJM-UHFFFAOYSA-N 1 0 380.290 2.571 20 0 GFADRO CC(C)C[NH+]1CCN(C(=O)c2cnc3ncc(Br)cc3c2)CC1 ZINC000681949613 566133572 /nfs/dbraw/zinc/13/35/72/566133572.db2.gz NOJOEJIGSVAXHU-UHFFFAOYSA-N 1 0 377.286 2.806 20 0 GFADRO COC(=O)c1cc(NC(=O)N2CCC[N@H+](C)CC2)c(Br)cc1F ZINC000611532778 566134609 /nfs/dbraw/zinc/13/46/09/566134609.db2.gz QDUABSLDTKZDJD-UHFFFAOYSA-N 1 0 388.237 2.544 20 0 GFADRO Brc1ccc(-c2noc(-c3cn([C@@H]4CCC[NH2+]CC4)nn3)n2)o1 ZINC000656559922 566141412 /nfs/dbraw/zinc/14/14/12/566141412.db2.gz AQNFUNXJDBHUOC-SECBINFHSA-N 1 0 379.218 2.665 20 0 GFADRO CCO[C@H]1C[C@@](CO)([NH2+]Cc2cn3cc(Br)ccc3n2)C1(C)C ZINC000682043361 566141746 /nfs/dbraw/zinc/14/17/46/566141746.db2.gz PUBPGEXYTQVFMI-YOEHRIQHSA-N 1 0 382.302 2.753 20 0 GFADRO Cc1ccc(NC(=O)C(=O)N[C@H](C)C2CC[NH+](C)CC2)cc1Br ZINC000682192993 566146388 /nfs/dbraw/zinc/14/63/88/566146388.db2.gz QEUJBBGBLKPCTK-GFCCVEGCSA-N 1 0 382.302 2.543 20 0 GFADRO COc1c(Cl)cc(NC(=O)C(=O)N[C@H](C)C2CC[NH+](C)CC2)cc1Cl ZINC000682191561 566146684 /nfs/dbraw/zinc/14/66/84/566146684.db2.gz DFGYPFIMJAZRJW-SNVBAGLBSA-N 1 0 388.295 2.787 20 0 GFADRO C[C@@H]([NH3+])[C@H](C)C(=O)NC1CCN(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000634299470 566151399 /nfs/dbraw/zinc/15/13/99/566151399.db2.gz SAODKFDOPAQBSG-NWDGAFQWSA-N 1 0 397.317 2.545 20 0 GFADRO C[NH+](C)C1CCN(c2ncnc3cccc(I)c32)CC1 ZINC000612399888 566160363 /nfs/dbraw/zinc/16/03/63/566160363.db2.gz UYDKDVVEBFBSLG-UHFFFAOYSA-N 1 0 382.249 2.765 20 0 GFADRO O=C1N[C@@H](c2ccccc2Br)C(=O)N1[C@H]1CC[N@H+](CC2CC2)C1 ZINC000656803818 566166304 /nfs/dbraw/zinc/16/63/04/566166304.db2.gz PHOQBLRUYYTOFY-WFASDCNBSA-N 1 0 378.270 2.526 20 0 GFADRO C[C@@H]([NH2+]C[C@@H](O)CC1(O)CCOCC1)c1ccc(F)c(Br)c1 ZINC000634703852 566170480 /nfs/dbraw/zinc/17/04/80/566170480.db2.gz CBGKKJHKTRXSRJ-YPMHNXCESA-N 1 0 376.266 2.531 20 0 GFADRO C[C@](O)(C[C@@H](O)C[NH2+]C[C@@H]1CCN(c2cccc(Br)c2)C1)C1CC1 ZINC000634701069 566171274 /nfs/dbraw/zinc/17/12/74/566171274.db2.gz JYRWFOYDNKGKGO-KYNGSXCRSA-N 1 0 397.357 2.777 20 0 GFADRO OCC[C@H]([NH2+]C[C@H](O)COc1cc(Cl)cc(Cl)c1)C1CCOCC1 ZINC000634720775 566172024 /nfs/dbraw/zinc/17/20/24/566172024.db2.gz OYVSFPSQRGLVQF-RDJZCZTQSA-N 1 0 378.296 2.500 20 0 GFADRO CS(=O)(=O)CC1(C[NH2+]C[C@H](O)COc2cc(Cl)cc(Cl)c2)CCC1 ZINC000634716889 566172548 /nfs/dbraw/zinc/17/25/48/566172548.db2.gz BASCBBSYHZQGCJ-AWEZNQCLSA-N 1 0 396.336 2.538 20 0 GFADRO CCn1c(CNC(=O)N[C@@H]2CCC[N@H+](C)C2)nc2cc(Br)ccc21 ZINC000682851977 566173576 /nfs/dbraw/zinc/17/35/76/566173576.db2.gz FWFAWLPTFXAYJM-CYBMUJFWSA-N 1 0 394.317 2.712 20 0 GFADRO O[C@@H](C[NH2+][C@H]1CCCn2nccc21)COc1cc(F)cc(Br)c1 ZINC000634730547 566173852 /nfs/dbraw/zinc/17/38/52/566173852.db2.gz KGRYCZLSKKYSBJ-ZFWWWQNUSA-N 1 0 384.249 2.649 20 0 GFADRO C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)c1cn(-c3ccc(Br)cc3)cn1)C2 ZINC000634743297 566175015 /nfs/dbraw/zinc/17/50/15/566175015.db2.gz PEJGKOPZRPEMLR-HDICACEKSA-N 1 0 389.297 2.706 20 0 GFADRO O=C(N[C@H]1CC12CC[NH2+]CC2)N1CCO[C@@H](c2cccc(Br)c2)C1 ZINC000612970704 566180529 /nfs/dbraw/zinc/18/05/29/566180529.db2.gz LFKWRIDRHKHCBD-CVEARBPZSA-N 1 0 394.313 2.674 20 0 GFADRO C[C@@H](CNC(=O)N[C@H]1CC12CC[NH2+]CC2)Oc1cccc(Br)c1 ZINC000612978453 566181234 /nfs/dbraw/zinc/18/12/34/566181234.db2.gz XTKQNQKELVDFBV-WFASDCNBSA-N 1 0 382.302 2.658 20 0 GFADRO O=C1CC[C@H]([NH2+][C@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)CCN1 ZINC000634967927 566186274 /nfs/dbraw/zinc/18/62/74/566186274.db2.gz ALJZZTPVCOIBFN-RYUDHWBXSA-N 1 0 376.810 2.591 20 0 GFADRO O=C1N[C@@H](c2ccc(Br)cc2)C(=O)N1[C@H]1CC[N@H+](CC2CC2)C1 ZINC000683284939 566192509 /nfs/dbraw/zinc/19/25/09/566192509.db2.gz FEJKUUPKXCEUOL-GJZGRUSLSA-N 1 0 378.270 2.526 20 0 GFADRO CN(CCC[NH2+]C1CC(c2cccc(Br)c2)C1)S(C)(=O)=O ZINC000683347485 566196465 /nfs/dbraw/zinc/19/64/65/566196465.db2.gz QOWPMLCJXLBXPA-UHFFFAOYSA-N 1 0 375.332 2.566 20 0 GFADRO CCN(CCC[NH+](C)C)S(=O)(=O)Cc1cc(F)ccc1Br ZINC000656969902 566197216 /nfs/dbraw/zinc/19/72/16/566197216.db2.gz ALXVHFJAWMCYPL-UHFFFAOYSA-N 1 0 381.311 2.692 20 0 GFADRO Brc1ccc2nc(CN3CCC[N@H+](C[C@H]4CCCO4)CC3)cn2c1 ZINC000613421363 566198144 /nfs/dbraw/zinc/19/81/44/566198144.db2.gz QRMFVYYVTMGQFI-QGZVFWFLSA-N 1 0 393.329 2.784 20 0 GFADRO CC(C)[NH2+][C@H]1CCCN(C(=O)c2cnc3ccc(Br)cc3c2O)C1 ZINC000683527920 566203579 /nfs/dbraw/zinc/20/35/79/566203579.db2.gz QQJGKDPGRLQFJL-ZDUSSCGKSA-N 1 0 392.297 2.893 20 0 GFADRO C[NH+]1CCC(CCNC(=O)[C@@H]2CC(=O)Nc3ccc(Br)cc32)CC1 ZINC000683618411 566205643 /nfs/dbraw/zinc/20/56/43/566205643.db2.gz TWDGJOWRWQHWAJ-OAHLLOKOSA-N 1 0 394.313 2.723 20 0 GFADRO C[N@@H+]1CC[C@H](CC(=O)NCC2(c3cccc(Br)c3)CCOCC2)C1 ZINC000635391713 566209561 /nfs/dbraw/zinc/20/95/61/566209561.db2.gz UTHXQKBIMUPEMD-OAHLLOKOSA-N 1 0 395.341 2.955 20 0 GFADRO C[N@@H+]1CC[C@@H](CC(=O)NC[C@@H]2CCN(c3ccc(Br)cc3)C2)C1 ZINC000635393971 566209919 /nfs/dbraw/zinc/20/99/19/566209919.db2.gz DCVYCGOIKPCMNU-GJZGRUSLSA-N 1 0 380.330 2.733 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000635473896 566216213 /nfs/dbraw/zinc/21/62/13/566216213.db2.gz IMUHXKKPTYJCOW-ZDUSSCGKSA-N 1 0 382.302 2.544 20 0 GFADRO Cc1c(Br)ccc(C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)c1F ZINC000684050204 566223544 /nfs/dbraw/zinc/22/35/44/566223544.db2.gz PWEOUSGMGNSFQI-AWEZNQCLSA-N 1 0 398.320 2.749 20 0 GFADRO CN(CCC[NH2+][C@H]1CCCc2cc(Br)ccc21)S(C)(=O)=O ZINC000684550430 566238025 /nfs/dbraw/zinc/23/80/25/566238025.db2.gz SWVILNMZTLYGDI-HNNXBMFYSA-N 1 0 375.332 2.698 20 0 GFADRO COc1ccc(S(=O)(=O)NC[C@@H]2CCc3nccn3C2)c(Cl)c1Cl ZINC000275287518 570688870 /nfs/dbraw/zinc/68/88/70/570688870.db2.gz LHLNWUAVMQSTSA-JTQLQIEISA-N 1 0 390.292 2.739 20 0 GFADRO Cc1cc(N2CC[NH+](C3CCC3)CC2)n2c3ccccc3nc2c1-c1nn[nH]n1 ZINC000737272471 598829366 /nfs/dbraw/zinc/82/93/66/598829366.db2.gz RPEVYERCGAZIDY-UHFFFAOYSA-N 1 0 388.479 2.651 20 0 GFADRO O=C(CC[N@@H+]1CCC[C@H](Oc2ccccc2)C1)Nc1cccc(-c2nn[nH]n2)c1 ZINC000737843140 598833879 /nfs/dbraw/zinc/83/38/79/598833879.db2.gz HVPZBMOFHPTTMA-IBGZPJMESA-N 1 0 392.463 2.739 20 0 GFADRO CC[N@H+](CCC(F)(F)F)Cn1c(C)nnc1-c1cccc(-c2nn[nH]n2)c1 ZINC000736538626 598850994 /nfs/dbraw/zinc/85/09/94/598850994.db2.gz ZGRFXMZFCDVWSE-UHFFFAOYSA-N 1 0 380.378 2.665 20 0 GFADRO C[C@@H]1CC[C@@H](NC(=O)N(CC[NH+](C)C)Cc2ccc(-c3nn[nH]n3)cc2)[C@H](C)C1 ZINC000736241500 598854169 /nfs/dbraw/zinc/85/41/69/598854169.db2.gz PGYFSTGIXFENDM-GPMSIDNRSA-N 1 0 399.543 2.765 20 0 GFADRO CC(C)C[C@@H]1COCC[N@@H+]1CCC(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000735794757 598872241 /nfs/dbraw/zinc/87/22/41/598872241.db2.gz DCWFPQNLGHFKJF-CQSZACIVSA-N 1 0 392.891 2.596 20 0 GFADRO C[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(-c2nn[nH]n2)cc1)C1CCCC1 ZINC000736110036 598879263 /nfs/dbraw/zinc/87/92/63/598879263.db2.gz CTEPWRFIPNTXAN-HNNXBMFYSA-N 1 0 385.516 2.519 20 0 GFADRO C[C@@H]([NH2+]C(C)(C)CNCc1cnc2ccc(-c3nn[nH]n3)cn12)c1ccccc1 ZINC000736135447 598885781 /nfs/dbraw/zinc/88/57/81/598885781.db2.gz YEZHBEFWEHWTDI-OAHLLOKOSA-N 1 0 390.495 2.733 20 0 GFADRO OCCC[N@H+](CCOc1cccc(-c2nn[nH]n2)c1)[C@@H]1CCc2ccccc21 ZINC000738393358 598897738 /nfs/dbraw/zinc/89/77/38/598897738.db2.gz IINYIUBRSZOHOQ-HXUWFJFHSA-N 1 0 379.464 2.617 20 0 GFADRO CC[NH+]1CCN(c2ccc(Nc3ncc(-c4nn[nH]n4)cc3Cl)cc2)CC1 ZINC000736567631 598935258 /nfs/dbraw/zinc/93/52/58/598935258.db2.gz BUSMQPWRFRHTBB-UHFFFAOYSA-N 1 0 384.875 2.801 20 0 GFADRO c1ccc(C[NH+]2CCC(Nc3c4ccccc4nnc3-c3nn[nH]n3)CC2)cc1 ZINC000738433853 598935352 /nfs/dbraw/zinc/93/53/52/598935352.db2.gz XGPRTPZUMDVOCD-UHFFFAOYSA-N 1 0 386.463 2.886 20 0 GFADRO COc1ccc([C@@H]2CC[N@H+](CCOc3ccc(-c4nn[nH]n4)cc3OC)C2)cc1 ZINC000737073655 598985309 /nfs/dbraw/zinc/98/53/09/598985309.db2.gz AKAYTEZZMHPOIM-QGZVFWFLSA-N 1 0 395.463 2.752 20 0 GFADRO COc1cc(-c2nn[nH]n2)ccc1OCC[N@@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC000737033220 598986374 /nfs/dbraw/zinc/98/63/74/598986374.db2.gz SBOLNSRIAWBZTL-INIZCTEOSA-N 1 0 383.427 2.883 20 0 GFADRO COc1ccccc1C(C)(C)[NH2+]CCOc1ccc(-c2nn[nH]n2)cc1OC ZINC000737033380 598986812 /nfs/dbraw/zinc/98/68/12/598986812.db2.gz WGJVTBCLJKSICF-UHFFFAOYSA-N 1 0 383.452 2.788 20 0 GFADRO CC(C)[C@H](C(=O)OCc1cn2ccccc2c1-c1nn[nH]n1)[NH+]1CCCCC1 ZINC000735692353 599015910 /nfs/dbraw/zinc/01/59/10/599015910.db2.gz SQIFVUGLEFOUDA-GOSISDBHSA-N 1 0 382.468 2.673 20 0 GFADRO FC(F)(F)c1ccc(-c2nn[nH]n2)c(NCC[N@@H+]2CCc3ccccc3C2)n1 ZINC000737635939 599043310 /nfs/dbraw/zinc/04/33/10/599043310.db2.gz QZHIHDWRZHHTNX-UHFFFAOYSA-N 1 0 389.385 2.751 20 0 GFADRO CC(C)[N@H+](C)CC1CCN(c2nc(C(F)(F)F)ccc2-c2nn[nH]n2)CC1 ZINC000735857231 599045730 /nfs/dbraw/zinc/04/57/30/599045730.db2.gz PRTYWZBHCMUUML-UHFFFAOYSA-N 1 0 383.422 2.837 20 0 GFADRO O=C(OCc1cc(-c2nn[nH]n2)ccc1F)C1CC[NH+](Cc2ccccc2)CC1 ZINC000738236215 599057554 /nfs/dbraw/zinc/05/75/54/599057554.db2.gz FIPLFHOMRAJWDD-UHFFFAOYSA-N 1 0 395.438 2.961 20 0 GFADRO C[N@H+](Cc1cccc(-c2nn[nH]n2)c1)[C@H]1CCCN(c2cccc(F)c2)C1=O ZINC000736822319 599067909 /nfs/dbraw/zinc/06/79/09/599067909.db2.gz LNEXYSULZSQYBI-SFHVURJKSA-N 1 0 380.427 2.633 20 0 GFADRO CC(C)[C@@H]([NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1ccccc1Cl ZINC000735733274 599101649 /nfs/dbraw/zinc/10/16/49/599101649.db2.gz GXRKJBCRZOAOCM-MLGOLLRUSA-N 1 0 386.891 2.745 20 0 GFADRO C/C(=C\C(=O)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)C(C)(C)C ZINC000819765424 599134690 /nfs/dbraw/zinc/13/46/90/599134690.db2.gz PXHJAKPDPOACQK-JQIJEIRASA-N 1 0 382.512 2.893 20 0 GFADRO C[C@H]1C[N@H+](CC(=O)Nc2ccc(-c3nn[nH]n3)cc2)CC[C@H]1c1ccccc1 ZINC000736289256 599146885 /nfs/dbraw/zinc/14/68/85/599146885.db2.gz VCYSCWPHNDVFDK-HNAYVOBHSA-N 1 0 376.464 2.931 20 0 GFADRO C[C@@H]1C[N@H+](CC(=O)Nc2ccc(-c3nn[nH]n3)cc2)CC[C@@H]1c1ccccc1 ZINC000736289254 599147281 /nfs/dbraw/zinc/14/72/81/599147281.db2.gz VCYSCWPHNDVFDK-BEFAXECRSA-N 1 0 376.464 2.931 20 0 GFADRO O=C(CC[NH+]1CCc2ccccc2CC1)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000737847473 599175802 /nfs/dbraw/zinc/17/58/02/599175802.db2.gz SRMJVXHNPDQUCS-UHFFFAOYSA-N 1 0 396.882 2.950 20 0 GFADRO CC[NH+](CC)[C@@H](C)CNC(=O)Nc1ccc(-c2nn[nH]n2)c(C(F)(F)F)c1 ZINC000821180353 599291969 /nfs/dbraw/zinc/29/19/69/599291969.db2.gz BTMDNCRKILBGLM-JTQLQIEISA-N 1 0 385.394 2.737 20 0 GFADRO CC(C)Cc1ccc(C[NH+]2CCN(c3ncccc3-c3nn[nH]n3)CC2)cc1 ZINC000735850949 598249551 /nfs/dbraw/zinc/24/95/51/598249551.db2.gz WNRKRPSCEFYZHI-UHFFFAOYSA-N 1 0 377.496 2.782 20 0 GFADRO c1ccc(CCOCCC[NH+]2CCN(c3ccccc3-c3nn[nH]n3)CC2)cc1 ZINC000738433160 598252527 /nfs/dbraw/zinc/25/25/27/598252527.db2.gz OXSJCPOFFPBNIL-UHFFFAOYSA-N 1 0 392.507 2.638 20 0 GFADRO C[N@@H+]1CCC[C@@H](NC(=O)Nc2cccc(Oc3ccc(-c4nn[nH]n4)cc3)c2)C1 ZINC000736859189 598267307 /nfs/dbraw/zinc/26/73/07/598267307.db2.gz XHGHSHUUJCEVJE-MRXNPFEDSA-N 1 0 393.451 2.875 20 0 GFADRO Fc1ccc(C2([NH2+]Cc3cnc4c(-c5nn[nH]n5)cnn4c3)CCCC2)cc1 ZINC000737647999 598356297 /nfs/dbraw/zinc/35/62/97/598356297.db2.gz GIJFVWJCYOFDQY-UHFFFAOYSA-N 1 0 378.415 2.608 20 0 GFADRO COc1cccc(C[NH2+]CCSCc2ccccc2-c2nn[nH]n2)c1OC ZINC000737132631 598360783 /nfs/dbraw/zinc/36/07/83/598360783.db2.gz OEJVQNJSSIOVGU-UHFFFAOYSA-N 1 0 385.493 2.907 20 0 GFADRO Cc1nn(C)c(Cl)c1[C@@H]1CCC[N@@H+]1CCOc1cccc(-c2nn[nH]n2)c1 ZINC000737511783 598368811 /nfs/dbraw/zinc/36/88/11/598368811.db2.gz ORRQHBYTIBLSIN-HNNXBMFYSA-N 1 0 387.875 2.778 20 0 GFADRO CC(C)N(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000735874480 598427518 /nfs/dbraw/zinc/42/75/18/598427518.db2.gz FHGWPMCMNDTFIK-UHFFFAOYSA-N 1 0 385.516 2.660 20 0 GFADRO CC(C)N(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)NC[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000736265640 598428381 /nfs/dbraw/zinc/42/83/81/598428381.db2.gz KNILZIUOYYGHIC-IRXDYDNUSA-N 1 0 399.543 2.907 20 0 GFADRO COc1ccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2ccccc2-c2nn[nH]n2)cc1F ZINC000737073478 598453521 /nfs/dbraw/zinc/45/35/21/598453521.db2.gz RSJCHJLLUNGZTA-NWDGAFQWSA-N 1 0 384.415 2.692 20 0 GFADRO CC(C)CNC(=O)c1cccc(C[N@H+](C)Cc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000735838602 598459845 /nfs/dbraw/zinc/45/98/45/598459845.db2.gz IBACAFXGQVGNHK-UHFFFAOYSA-N 1 0 378.480 2.885 20 0 GFADRO COc1ccc(C2([NH2+]Cc3ccc(F)cc3-c3nn[nH]n3)CCOCC2)cc1 ZINC000737073970 598487090 /nfs/dbraw/zinc/48/70/90/598487090.db2.gz DBJHKOOSENYICF-UHFFFAOYSA-N 1 0 383.427 2.810 20 0 GFADRO c1nn2c(c1-c1nn[nH]n1)NC[C@@H](C[NH2+][C@@H](c1ccccc1)C1CCCC1)C2 ZINC000738426670 598528705 /nfs/dbraw/zinc/52/87/05/598528705.db2.gz SZLXXFYMEUBEIH-KDOFPFPSSA-N 1 0 378.484 2.626 20 0 GFADRO CC[N@H+](Cc1ccc(F)cc1-c1nn[nH]n1)[C@H]1CCN(c2ccccc2)C1=O ZINC000736558641 598621825 /nfs/dbraw/zinc/62/18/25/598621825.db2.gz OPOFTAOEOHKUPH-SFHVURJKSA-N 1 0 380.427 2.633 20 0 GFADRO Cc1cc(N(C)CC[NH+]2CCCC2)n2c3ccccc3nc2c1-c1nn[nH]n1 ZINC000737270734 598673497 /nfs/dbraw/zinc/67/34/97/598673497.db2.gz PGRQSQLVCXFCCI-UHFFFAOYSA-N 1 0 376.468 2.508 20 0 GFADRO O=C(NCc1ccccc1)C1CC[NH+](Cc2ccc(F)cc2-c2nn[nH]n2)CC1 ZINC000738115259 598678881 /nfs/dbraw/zinc/67/88/81/598678881.db2.gz AOWOWUNJDFUITQ-UHFFFAOYSA-N 1 0 394.454 2.534 20 0 GFADRO O=C(CCCCOc1cccc(-c2nn[nH]n2)c1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000737832184 598690556 /nfs/dbraw/zinc/69/05/56/598690556.db2.gz FJXROOAJEGWXEU-SFHVURJKSA-N 1 0 398.511 2.503 20 0 GFADRO C[C@H](CNC(=O)c1cccc(Oc2ccc(-c3nn[nH]n3)cc2)c1)[NH+]1CCCC1 ZINC000736025628 598698420 /nfs/dbraw/zinc/69/84/20/598698420.db2.gz HNTPJSNNMIIDRX-OAHLLOKOSA-N 1 0 392.463 2.873 20 0 GFADRO COC(=O)CC[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)Cc1ccc(F)c(F)c1 ZINC000736912497 598705116 /nfs/dbraw/zinc/70/51/16/598705116.db2.gz DLUPKNKMQNSTDB-UHFFFAOYSA-N 1 0 387.390 2.710 20 0 GFADRO O=C(CC[N@@H+]1CC[C@H](c2ccco2)C1)Nc1sc2c(c1-c1nn[nH]n1)CCC2 ZINC000737840152 598706193 /nfs/dbraw/zinc/70/61/93/598706193.db2.gz ZRDXTCNIWWJDJH-LBPRGKRZSA-N 1 0 398.492 2.828 20 0 GFADRO CC[N@H+](CCC(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)CCc1ccccn1 ZINC000736534600 598759812 /nfs/dbraw/zinc/75/98/12/598759812.db2.gz KZLRYWRVTQJOIQ-UHFFFAOYSA-N 1 0 399.886 2.808 20 0 GFADRO Fc1ccccc1OCC[NH+]1CCC(Oc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000737667761 598766807 /nfs/dbraw/zinc/76/68/07/598766807.db2.gz BTGUNSSZJHQSCK-UHFFFAOYSA-N 1 0 383.427 2.928 20 0 GFADRO C[C@@H](CN1CCOCC1)[N@H+](Cc1ccccc1)Cc1ccccc1-c1nn[nH]n1 ZINC000736009466 598809156 /nfs/dbraw/zinc/80/91/56/598809156.db2.gz GFYOIFGPXRWDJZ-SFHVURJKSA-N 1 0 392.507 2.590 20 0 GFADRO C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000736236731 598811606 /nfs/dbraw/zinc/81/16/06/598811606.db2.gz MFNRWPRNLAKBQW-RHSMWYFYSA-N 1 0 376.464 2.620 20 0 GFADRO C[C@@H](NC(=O)NC[C@H](c1cccs1)[NH+](C)C)c1cccc(-c2nn[nH]n2)c1 ZINC000820357354 599298825 /nfs/dbraw/zinc/29/88/25/599298825.db2.gz GPXDLBLXNAVTAL-IUODEOHRSA-N 1 0 385.497 2.591 20 0 GFADRO C[C@@H](c1ccc(-c2nn[nH]n2)cc1)[NH+]1CCC(C(=O)NCc2ccccc2)CC1 ZINC000736198007 599306982 /nfs/dbraw/zinc/30/69/82/599306982.db2.gz OZIHCHRMSFKHNN-INIZCTEOSA-N 1 0 390.491 2.956 20 0 GFADRO Cc1cc(N2CC[NH+]([C@@H](C)c3ccc(-c4nn[nH]n4)cc3)CC2)nc(C(C)C)n1 ZINC000737270066 599307963 /nfs/dbraw/zinc/30/79/63/599307963.db2.gz ABZBBFDVWKSVSM-INIZCTEOSA-N 1 0 392.511 2.972 20 0 GFADRO COc1ccc(CN2CC[NH+]([C@H](C)c3ccc(-c4nn[nH]n4)cc3)CC2)cc1F ZINC000737091287 599308063 /nfs/dbraw/zinc/30/80/63/599308063.db2.gz SGFPTAXDWZQWOO-OAHLLOKOSA-N 1 0 396.470 2.893 20 0 GFADRO Cc1nc(CN2CCC[N@@H+]([C@@H](C)c3ccc(-c4nn[nH]n4)cc3)CC2)oc1C ZINC000737476145 599318143 /nfs/dbraw/zinc/31/81/43/599318143.db2.gz DTWNWXAZLJOQHP-HNNXBMFYSA-N 1 0 381.484 2.740 20 0 GFADRO c1cn(C[NH+]2CCC(OCC3CC3)CC2)nc1-c1ccc(-c2nn[nH]n2)cc1 ZINC000823743104 599330820 /nfs/dbraw/zinc/33/08/20/599330820.db2.gz SSCMIJPMZSOOOO-UHFFFAOYSA-N 1 0 379.468 2.579 20 0 GFADRO Brc1ccc(N2CC[NH+](C3CCCC3)CC2)c(-c2nn[nH]n2)c1 ZINC000735368534 599360930 /nfs/dbraw/zinc/36/09/30/599360930.db2.gz NFTMMRPBQKVNJN-UHFFFAOYSA-N 1 0 377.290 2.694 20 0 GFADRO C[C@H]([NH2+][C@@H]1CC(=O)N([C@H]2C[C@H]2c2ccccc2)C1)c1ccc(-c2nn[nH]n2)cc1 ZINC000820412718 599386500 /nfs/dbraw/zinc/38/65/00/599386500.db2.gz MPOWZNJYLPAISP-WBCYEJBOSA-N 1 0 388.475 2.674 20 0 GFADRO C[C@H]([NH2+][C@H]1CCN(c2ccc(Cl)cc2)C1=O)c1cccc(-c2nn[nH]n2)c1 ZINC000820420758 599389986 /nfs/dbraw/zinc/38/99/86/599389986.db2.gz WOHSJKNZISFTFC-SJCJKPOMSA-N 1 0 382.855 2.976 20 0 GFADRO CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)[NH2+][C@H](C)c2cccc(-c3nn[nH]n3)c2)c1C ZINC000819834644 599390865 /nfs/dbraw/zinc/39/08/65/599390865.db2.gz QAEFJHHXHBBJPG-DGCLKSJQSA-N 1 0 380.452 2.936 20 0 GFADRO COc1ccc(C[NH2+][C@H](C)c2ccc(-n3ccnc3)cc2)cc1-c1nn[nH]n1 ZINC000821803359 599393591 /nfs/dbraw/zinc/39/35/91/599393591.db2.gz FRHDWYJLILZMQX-CQSZACIVSA-N 1 0 375.436 2.912 20 0 GFADRO COc1ccc(C[NH2+]C[C@@H](c2ccccc2Cl)N(C)C)cc1-c1nn[nH]n1 ZINC000821808610 599393753 /nfs/dbraw/zinc/39/37/53/599393753.db2.gz JGLVUGPSCZDTJB-KRWDZBQOSA-N 1 0 386.887 2.921 20 0 GFADRO COc1ccc(C[NH2+]Cc2ccc(Br)s2)cc1-c1nn[nH]n1 ZINC000821818275 599399659 /nfs/dbraw/zinc/39/96/59/599399659.db2.gz NKHFEDINTMYFFS-UHFFFAOYSA-N 1 0 380.271 2.989 20 0 GFADRO COc1ccc(C[NH2+]Cc2ccc(OC(C)C)c(OC)c2)cc1-c1nn[nH]n1 ZINC000821716990 599400327 /nfs/dbraw/zinc/40/03/27/599400327.db2.gz JCFFBJLELSZRGQ-UHFFFAOYSA-N 1 0 383.452 2.961 20 0 GFADRO C[C@H](NC(=O)NCC1([NH+](C)C)CCCCCC1)c1cccc(-c2nn[nH]n2)c1 ZINC000820358633 599403903 /nfs/dbraw/zinc/40/39/03/599403903.db2.gz OHPMLUFMFSNQGH-HNNXBMFYSA-N 1 0 385.516 2.882 20 0 GFADRO C[C@@H](NC(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1cccc(-c2nn[nH]n2)c1 ZINC000820650540 599417449 /nfs/dbraw/zinc/41/74/49/599417449.db2.gz VQKLHBHSNDINEF-IXDOHACOSA-N 1 0 399.543 2.985 20 0 GFADRO C[C@@H](NC(=O)NC[C@H](C)[N@H+](C)Cc1ccccc1)c1cccc(-c2nn[nH]n2)c1 ZINC000820358572 599437835 /nfs/dbraw/zinc/43/78/35/599437835.db2.gz NRKZQCOOUUQKJP-JKSUJKDBSA-N 1 0 393.495 2.747 20 0 GFADRO CO[C@@H](C[NH2+]Cc1cnc2ccc(-c3nn[nH]n3)cn12)c1ccc(Cl)cc1 ZINC000821676987 599448975 /nfs/dbraw/zinc/44/89/75/599448975.db2.gz LNBCRMJGDBWJIF-INIZCTEOSA-N 1 0 383.843 2.645 20 0 GFADRO Fc1ccc2ccc(N3CC[NH+](Cc4ccc(-c5nn[nH]n5)cc4)CC3)nc2c1 ZINC000822786250 599466497 /nfs/dbraw/zinc/46/64/97/599466497.db2.gz GJJWVEKQOFTAMU-UHFFFAOYSA-N 1 0 389.438 2.876 20 0 GFADRO Brc1csc(C[NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)c1 ZINC000735374912 599483974 /nfs/dbraw/zinc/48/39/74/599483974.db2.gz FNVMOPVATMFEET-UHFFFAOYSA-N 1 0 390.270 2.628 20 0 GFADRO Brc1ccc(CC[NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)cc1 ZINC000735368964 599490083 /nfs/dbraw/zinc/49/00/83/599490083.db2.gz QTFYXQMPJRDVJN-UHFFFAOYSA-N 1 0 398.268 2.609 20 0 GFADRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNc1c(-c2nn[nH]n2)cnc2c(F)ccc(F)c21 ZINC000820699242 599544038 /nfs/dbraw/zinc/54/40/38/599544038.db2.gz YLDWWXXIHNAKQX-VXGBXAGGSA-N 1 0 387.438 2.790 20 0 GFADRO C[C@@H]1C[C@H](N(C)C(=O)c2ccc(-c3nn[nH]n3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000736231838 599554442 /nfs/dbraw/zinc/55/44/42/599554442.db2.gz YGBMQKNIHZUXKD-OXQOHEQNSA-N 1 0 390.491 2.992 20 0 GFADRO CC[NH+](CC)CCNC(=O)c1ccc(NCc2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000736530298 599561792 /nfs/dbraw/zinc/56/17/92/599561792.db2.gz HOEVMFZVHLMJJW-UHFFFAOYSA-N 1 0 393.495 2.550 20 0 GFADRO C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)Nc1ccc(-c2nn[nH]n2)cc1F ZINC000820259585 599575383 /nfs/dbraw/zinc/57/53/83/599575383.db2.gz AEKYICICEAVQBX-HNNXBMFYSA-N 1 0 381.459 2.628 20 0 GFADRO Cc1nnc(NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)c(-c2nn[nH]n2)c1C ZINC000822515527 599583677 /nfs/dbraw/zinc/58/36/77/599583677.db2.gz NMBZRQSFGFLYMJ-XJKSGUPXSA-N 1 0 384.513 2.830 20 0 GFADRO Cc1ccccc1[C@H]1C[C@H](C)[N@@H+](CC(=O)Nc2cccc(-c3nn[nH]n3)c2)C1 ZINC000737422610 599584922 /nfs/dbraw/zinc/58/49/22/599584922.db2.gz QJCJFCAOPGEISN-RDJZCZTQSA-N 1 0 376.464 2.992 20 0 GFADRO COc1ccccc1[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2-c2nn[nH]n2)C1 ZINC000737148710 599592066 /nfs/dbraw/zinc/59/20/66/599592066.db2.gz USFSXWQEEKSNLG-GJZGRUSLSA-N 1 0 392.463 2.692 20 0 GFADRO COc1ccccc1C[C@@H](C)[N@H+](C)CCC(=O)Nc1ccccc1-c1nn[nH]n1 ZINC000821890300 599643093 /nfs/dbraw/zinc/64/30/93/599643093.db2.gz LPKNDLNHSCVAMA-OAHLLOKOSA-N 1 0 394.479 2.767 20 0 GFADRO CC[N@H+](CCC(=O)Nc1cccc(-c2nn[nH]n2)c1)C[C@H](O)c1ccc(C)cc1 ZINC000821207011 599644488 /nfs/dbraw/zinc/64/44/88/599644488.db2.gz IBEHKIDWHVBIQU-IBGZPJMESA-N 1 0 394.479 2.559 20 0 GFADRO CC[N@H+](CCC(=O)Nc1ccccc1-c1nn[nH]n1)C[C@H](O)c1ccc(C)cc1 ZINC000821207729 599644761 /nfs/dbraw/zinc/64/47/61/599644761.db2.gz TXYQCYKTJJRXDQ-IBGZPJMESA-N 1 0 394.479 2.559 20 0 GFADRO CC[C@@H]1Oc2cc([C@@H](C)[NH2+]Cc3cccc(-c4nn[nH]n4)c3)ccc2NC1=O ZINC000821000386 599646950 /nfs/dbraw/zinc/64/69/50/599646950.db2.gz DMWCKSWREBNLAZ-PXAZEXFGSA-N 1 0 378.436 2.827 20 0 GFADRO C[C@H](NC(=O)N(C)Cc1ccc(C[NH+](C)C)cc1)c1cccc(-c2nn[nH]n2)c1 ZINC000820340451 599679967 /nfs/dbraw/zinc/67/99/67/599679967.db2.gz KUXHIOQKCJUDPO-HNNXBMFYSA-N 1 0 393.495 2.831 20 0 GFADRO C[N@H+](Cc1cn2ccccc2c1-c1nn[nH]n1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000821615910 599683729 /nfs/dbraw/zinc/68/37/29/599683729.db2.gz UJMNJEZUTFWVGA-OAHLLOKOSA-N 1 0 397.483 2.561 20 0 GFADRO CC[C@@H](C)[N@H+](C)CC(=O)Nc1c(-c2nn[nH]n2)c(C)c(C)n1-c1ccccc1 ZINC000820876135 599690341 /nfs/dbraw/zinc/69/03/41/599690341.db2.gz MKDWYFAYSPROBL-CYBMUJFWSA-N 1 0 381.484 2.943 20 0 GFADRO CC[NH+](CC)C[C@@H](C)NC(=O)Nc1ccc(OC(C)C)c(-c2nn[nH]n2)c1 ZINC000821182529 607428411 /nfs/dbraw/zinc/42/84/11/607428411.db2.gz WBUWNRIQYQCYGK-CYBMUJFWSA-N 1 0 375.477 2.506 20 0 GFADRO CN(C(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc(-c2nn[nH]n2)cc1 ZINC000825812420 607441261 /nfs/dbraw/zinc/44/12/61/607441261.db2.gz KNDNMBPEOMJQCH-GOSISDBHSA-N 1 0 376.464 2.742 20 0 GFADRO COC(=O)[C@H]1CC12CC[NH+](CCCCC[NH+]1CCC3(C[C@H]3C(=O)[O-])CC1)CC2 ZINC000737580948 600714097 /nfs/dbraw/zinc/71/40/97/600714097.db2.gz YSMAQIDFHWIYRL-ZWKOTPCHSA-N 1 0 392.540 2.619 20 0 GFADRO C[C@H]([C@H]1Cc2ccccc2O1)[N@H+](C)CCC(=O)Nc1sccc1-c1nn[nH]n1 ZINC000824377780 607472469 /nfs/dbraw/zinc/47/24/69/607472469.db2.gz MZERXNOXDIIVCP-MLGOLLRUSA-N 1 0 398.492 2.581 20 0 GFADRO C[C@@H]([C@H]1Cc2ccccc2O1)[N@H+](C)CCC(=O)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000824378126 607472509 /nfs/dbraw/zinc/47/25/09/607472509.db2.gz ZCFCOYJHCVJRIM-IFXJQAMLSA-N 1 0 392.463 2.519 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(N(C)C(=O)[O-])cc1 ZINC000737855951 601029955 /nfs/dbraw/zinc/02/99/55/601029955.db2.gz RUJOLPSOUIVDQY-SFHVURJKSA-N 1 0 391.516 2.681 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000829765442 601055322 /nfs/dbraw/zinc/05/53/22/601055322.db2.gz UXQLVZORRNXNFW-OAHLLOKOSA-N 1 0 396.919 2.918 20 0 GFADRO c1ccc(C[N@H+]2CCC[C@@H]3CN(Cc4ccnc(-c5nn[nH]n5)c4)CC[C@@H]32)cc1 ZINC000826521292 607516142 /nfs/dbraw/zinc/51/61/42/607516142.db2.gz HDGHBRAYFGDIJP-CTNGQTDRSA-N 1 0 389.507 2.748 20 0 GFADRO COc1ccc(C[NH2+]Cc2ccc(OC)c(OC)c2Cl)cc1-c1nn[nH]n1 ZINC000826202543 607569894 /nfs/dbraw/zinc/56/98/94/607569894.db2.gz CYXLCMNDEXUXDT-UHFFFAOYSA-N 1 0 389.843 2.836 20 0 GFADRO CC(=O)Nc1ccccc1C[NH2+]CCSCc1ccccc1-c1nn[nH]n1 ZINC000824005564 607629075 /nfs/dbraw/zinc/62/90/75/607629075.db2.gz XRQGKADJUBXFFZ-UHFFFAOYSA-N 1 0 382.493 2.848 20 0 GFADRO Cc1cc(-c2nn[nH]n2)ccc1C(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000826247933 607661712 /nfs/dbraw/zinc/66/17/12/607661712.db2.gz REDQIQFPYTXQCD-UHFFFAOYSA-N 1 0 390.491 2.742 20 0 GFADRO Cc1cc(-c2nn[nH]n2)ccc1C(=O)N(CC[NH+](C)C)Cc1ccccc1F ZINC000826244100 607670041 /nfs/dbraw/zinc/67/00/41/607670041.db2.gz HBCNUJSRRHEZOT-UHFFFAOYSA-N 1 0 382.443 2.518 20 0 GFADRO Cc1cc(-c2nn[nH]n2)ccc1C(=O)NC[C@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000826248469 607688513 /nfs/dbraw/zinc/68/85/13/607688513.db2.gz KPBXKKZIZIQCII-GOSISDBHSA-N 1 0 382.512 2.950 20 0 GFADRO CCCc1cc(N(C)CCCc2[nH]nc(N)c2-c2nn[nH]n2)c2ccccc2[nH+]1 ZINC000825348616 607722085 /nfs/dbraw/zinc/72/20/85/607722085.db2.gz SFUGHQYQINIHIH-UHFFFAOYSA-N 1 0 391.483 2.742 20 0 GFADRO O=C(NCC[NH+]1CCC1)c1cccc(Oc2cccc(Cl)c2-c2nn[nH]n2)c1 ZINC000826437383 607766589 /nfs/dbraw/zinc/76/65/89/607766589.db2.gz IYQDGVIAVAHSPX-UHFFFAOYSA-N 1 0 398.854 2.748 20 0 GFADRO COc1ccc(-c2nn[nH]n2)cc1NC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000821761869 606120531 /nfs/dbraw/zinc/12/05/31/606120531.db2.gz GDMUNYDJNIKNKR-UHFFFAOYSA-N 1 0 399.499 2.794 20 0 GFADRO CN(CC[NH+](C)C)C(=O)c1ccccc1Sc1ccccc1-c1nn[nH]n1 ZINC000821584775 606135635 /nfs/dbraw/zinc/13/56/35/606135635.db2.gz RXJOIQYZPRGOCM-UHFFFAOYSA-N 1 0 382.493 2.652 20 0 GFADRO O=C(CCc1ccc(-c2nn[nH]n2)cc1)NC1CCC([NH+]2CCCCC2)CC1 ZINC000822978648 606190419 /nfs/dbraw/zinc/19/04/19/606190419.db2.gz PHXOSLOQRVWWNE-UHFFFAOYSA-N 1 0 382.512 2.713 20 0 GFADRO CCN(C[C@H]1CC[N@H+](Cc2ccc(F)cc2-c2nn[nH]n2)C1)CC(F)(F)F ZINC000821197925 606191175 /nfs/dbraw/zinc/19/11/75/606191175.db2.gz OWMZKXUKMFMWBC-GFCCVEGCSA-N 1 0 386.397 2.712 20 0 GFADRO O=C(c1ccccc1)N1CCC(C[NH2+]Cc2cc(-c3nn[nH]n3)cs2)CC1 ZINC000823493555 606221507 /nfs/dbraw/zinc/22/15/07/606221507.db2.gz QLVQDACDMXPILU-UHFFFAOYSA-N 1 0 382.493 2.570 20 0 GFADRO CC(C)c1ccc(C[NH2+]CCS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000820192716 606309454 /nfs/dbraw/zinc/30/94/54/606309454.db2.gz WGINNFLEIXOIBY-UHFFFAOYSA-N 1 0 385.493 2.554 20 0 GFADRO O=C1[C@@H]([N@@H+]2CC[C@H](Cc3ccccc3)C2)CCN1c1sccc1-c1nn[nH]n1 ZINC000823504118 606331450 /nfs/dbraw/zinc/33/14/50/606331450.db2.gz MJJPFHNWVNFJBV-WBVHZDCISA-N 1 0 394.504 2.598 20 0 GFADRO O=C1[C@H]([N@@H+]2CC[C@@H](Cc3ccccc3)C2)CCN1c1sccc1-c1nn[nH]n1 ZINC000823504110 606331980 /nfs/dbraw/zinc/33/19/80/606331980.db2.gz MJJPFHNWVNFJBV-DOTOQJQBSA-N 1 0 394.504 2.598 20 0 GFADRO CC(C)[N@H+](C)CC1CCN(C(=O)Nc2ccc(F)cc2-c2nn[nH]n2)CC1 ZINC000820112202 606353678 /nfs/dbraw/zinc/35/36/78/606353678.db2.gz MBKBALNHAOLMHZ-UHFFFAOYSA-N 1 0 375.452 2.590 20 0 GFADRO Cc1cc([C@H](C)[NH2+][C@H]2CCN(c3sccc3-c3nn[nH]n3)C2=O)ccc1F ZINC000822191850 606417390 /nfs/dbraw/zinc/41/73/90/606417390.db2.gz SILYKDKHGIDOKA-NHYWBVRUSA-N 1 0 386.456 2.832 20 0 GFADRO CC1(C)CN(C2(C[NH2+]Cc3ccc(-c4nn[nH]n4)s3)CCCCC2)CCO1 ZINC000820601940 606417986 /nfs/dbraw/zinc/41/79/86/606417986.db2.gz VLSHWVUWSGFBRV-UHFFFAOYSA-N 1 0 390.557 2.832 20 0 GFADRO CO[C@@]1(C)C[C@@H]([N@H+](C)Cn2c(C)nnc2-c2cccc(-c3nn[nH]n3)c2)C1(C)C ZINC000821679132 606418384 /nfs/dbraw/zinc/41/83/84/606418384.db2.gz XMXTVNDKJAVZNI-UZLBHIALSA-N 1 0 396.499 2.527 20 0 GFADRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc(-c2nn[nH]n2)c1)[C@H]1Oc2ccccc2[C@@H]1C ZINC000820402323 606471920 /nfs/dbraw/zinc/47/19/20/606471920.db2.gz CTQCGJXJVPQKJZ-LJPSSGMGSA-N 1 0 392.463 2.737 20 0 GFADRO FC(F)Oc1cc(-c2nn[nH]n2)ccc1CN1CCC([NH+]2CCCCC2)CC1 ZINC000822731301 606485960 /nfs/dbraw/zinc/48/59/60/606485960.db2.gz BMMONOVIRVQQCN-UHFFFAOYSA-N 1 0 392.454 2.918 20 0 GFADRO FC(F)Oc1cc(-c2nn[nH]n2)ccc1CN1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000822733355 606499718 /nfs/dbraw/zinc/49/97/18/606499718.db2.gz ZFMGLEQPCNTGNQ-MRXNPFEDSA-N 1 0 392.454 2.918 20 0 GFADRO CC[NH+](CC)CCN(Cc1ccccc1)C(=O)c1ccc(-c2nn[nH]n2)s1 ZINC000821188868 606538258 /nfs/dbraw/zinc/53/82/58/606538258.db2.gz DKQMYZKLOAVLJB-UHFFFAOYSA-N 1 0 384.509 2.912 20 0 GFADRO C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)Cc1cccc(-c2nn[nH]n2)c1 ZINC000821586448 606538298 /nfs/dbraw/zinc/53/82/98/606538298.db2.gz YIHAUMQNGAUXBC-UHFFFAOYSA-N 1 0 398.898 2.653 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)c1cc(-c2nn[nH]n2)cs1)c1ccc(Cl)cc1 ZINC000821579814 606545953 /nfs/dbraw/zinc/54/59/53/606545953.db2.gz OXCXHKWCBCWOTF-CYBMUJFWSA-N 1 0 376.873 2.614 20 0 GFADRO C[C@H](C(=O)OCc1ccc(-c2nn[nH]n2)cc1OC(F)F)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000820683450 606560177 /nfs/dbraw/zinc/56/01/77/606560177.db2.gz BHTFXBMRHKEATJ-GRYCIOLGSA-N 1 0 395.410 2.773 20 0 GFADRO CCC[NH+](CCC)CC(=O)Nc1c(-c2nn[nH]n2)c(C)c(C)n1Cc1ccco1 ZINC000821099569 606636346 /nfs/dbraw/zinc/63/63/46/606636346.db2.gz JIZPJGNGGDVZCP-UHFFFAOYSA-N 1 0 399.499 2.987 20 0 GFADRO C[NH+](C)C1(CNC(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)CCCCCC1 ZINC000821581209 606662630 /nfs/dbraw/zinc/66/26/30/606662630.db2.gz GCMFMHYJZUHYAO-UHFFFAOYSA-N 1 0 378.427 2.529 20 0 GFADRO O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000823166002 606663363 /nfs/dbraw/zinc/66/33/63/606663363.db2.gz DHCGDQUCSOXDJO-QGZVFWFLSA-N 1 0 398.417 2.712 20 0 GFADRO CC[N@@H+]1C[C@H](C)[C@H](NC(=O)c2ccccc2-c2ccccc2-c2nn[nH]n2)C1 ZINC000821240493 606692571 /nfs/dbraw/zinc/69/25/71/606692571.db2.gz HGGFUIDEZJUZBY-IFXJQAMLSA-N 1 0 376.464 2.604 20 0 GFADRO C[N@H+](CCCc1[nH]nc(N)c1-c1nn[nH]n1)C(c1ccccc1)c1ccccc1 ZINC000821600324 606699808 /nfs/dbraw/zinc/69/98/08/606699808.db2.gz HVOJPCKCABVKSF-UHFFFAOYSA-N 1 0 388.479 2.826 20 0 GFADRO C[N@H+](CCCc1[nH]nc(N)c1-c1nn[nH]n1)Cc1ccc(Cl)cc1Cl ZINC000821601679 606700858 /nfs/dbraw/zinc/70/08/58/606700858.db2.gz UNIYDSAXLSJCCY-UHFFFAOYSA-N 1 0 381.271 2.543 20 0 GFADRO Cc1cc(OCC[N@H+](C)CCCc2[nH]nc(N)c2-c2nn[nH]n2)ccc1C(C)C ZINC000822211933 606701009 /nfs/dbraw/zinc/70/10/09/606701009.db2.gz ULXSPWXXKLDIEV-UHFFFAOYSA-N 1 0 398.515 2.547 20 0 GFADRO C[C@@H](CC[S@](C)=O)[NH2+]Cc1cccc(OCc2cccc(-c3nn[nH]n3)c2)c1 ZINC000820249319 606707482 /nfs/dbraw/zinc/70/74/82/606707482.db2.gz USHWJVYHGAVOBA-HBIPHATFSA-N 1 0 399.520 2.692 20 0 GFADRO Cc1cc(C)n(-c2ccccc2C[NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)n1 ZINC000822197447 606742505 /nfs/dbraw/zinc/74/25/05/606742505.db2.gz BKPWYNPFYVGUMI-UHFFFAOYSA-N 1 0 399.462 2.607 20 0 GFADRO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000820759494 606749814 /nfs/dbraw/zinc/74/98/14/606749814.db2.gz LFCGCSZDRMWVNJ-HOTGVXAUSA-N 1 0 390.491 2.753 20 0 GFADRO O[C@H](C[NH2+]Cc1ccc(OC(F)(F)F)cc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823690848 606849870 /nfs/dbraw/zinc/84/98/70/606849870.db2.gz WBYIUBJJWAPHGA-OAHLLOKOSA-N 1 0 379.342 2.589 20 0 GFADRO CC[C@@H](C)C(=O)Nc1cccc(C[NH2+]C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)c1 ZINC000820864334 606854145 /nfs/dbraw/zinc/85/41/45/606854145.db2.gz XYLVKBTXKNIKKH-KUHUBIRLSA-N 1 0 394.479 2.675 20 0 GFADRO COc1cccc(C[C@H]2CCC[N@@H+]2C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)c1 ZINC000821863465 606855831 /nfs/dbraw/zinc/85/58/31/606855831.db2.gz LHLJCFFZBUKLRI-UYAOXDASSA-N 1 0 379.464 2.616 20 0 GFADRO C[N@@H+](Cc1cccc(Br)c1)C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821613658 606855961 /nfs/dbraw/zinc/85/59/61/606855961.db2.gz XCDMLXSFQHEISH-MRXNPFEDSA-N 1 0 388.269 2.795 20 0 GFADRO C[N@H+](CCCOc1cccc(Cl)c1)C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821600615 606856042 /nfs/dbraw/zinc/85/60/42/606856042.db2.gz VLGVOJRDOAXJFJ-GOSISDBHSA-N 1 0 387.871 2.954 20 0 GFADRO C[C@H]1C[C@@H](Nc2c3ccccc3nnc2-c2nn[nH]n2)C[N@@H+]1Cc1ccccc1 ZINC000820664502 606876563 /nfs/dbraw/zinc/87/65/63/606876563.db2.gz AWVFKLDHJFCHJI-GOEBONIOSA-N 1 0 386.463 2.885 20 0 GFADRO C[N@@H+](Cc1ccccc1N1CCCC1)C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821614820 606881510 /nfs/dbraw/zinc/88/15/10/606881510.db2.gz WCMJYEQDKNGDGE-HXUWFJFHSA-N 1 0 378.480 2.632 20 0 GFADRO Cc1ccnc(NC[C@H]2CC[N@H+](CCCOc3cccc(-c4nn[nH]n4)c3)C2)c1 ZINC000822374174 606895969 /nfs/dbraw/zinc/89/59/69/606895969.db2.gz KEZOCRKJZJTECS-QGZVFWFLSA-N 1 0 393.495 2.773 20 0 GFADRO C[C@@H]1CO[C@H](c2ccccc2)[C@@H](C)[N@@H+]1C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000820804304 606897068 /nfs/dbraw/zinc/89/70/68/606897068.db2.gz QAOZFHXRINFBPQ-IONDEXAJSA-N 1 0 379.464 2.751 20 0 GFADRO CCN(C[C@H]1CC[N@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C1)CC(F)(F)F ZINC000821198855 606978785 /nfs/dbraw/zinc/97/87/85/606978785.db2.gz WYHFPGNQPHPYIZ-CYBMUJFWSA-N 1 0 386.397 2.712 20 0 GFADRO C[C@H]([NH2+]Cc1cccc(-c2nn[nH]n2)c1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000820431991 606994745 /nfs/dbraw/zinc/99/47/45/606994745.db2.gz JTNRHPTUCPZDBJ-NSHDSACASA-N 1 0 393.419 2.714 20 0 GFADRO O=C(OCc1ccc(F)c(-c2nn[nH]n2)c1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000823421510 607000846 /nfs/dbraw/zinc/00/08/46/607000846.db2.gz AXZYZEOTMKOUHZ-KRWDZBQOSA-N 1 0 395.438 2.961 20 0 GFADRO c1ccc(C[N@@H+]2CCC[C@H]3CN(c4cccc(-c5nn[nH]n5)n4)CC[C@@H]32)cc1 ZINC000823780979 607032279 /nfs/dbraw/zinc/03/22/79/607032279.db2.gz XZQOIKUQSXKOSB-HKUYNNGSSA-N 1 0 375.480 2.753 20 0 GFADRO C[C@H](CCc1ccccc1F)[NH2+]C1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1 ZINC000820252720 607046079 /nfs/dbraw/zinc/04/60/79/607046079.db2.gz CISKMMSXWCEXBW-OAHLLOKOSA-N 1 0 395.486 2.981 20 0 GFADRO Fc1ccc(C[N@@H+]2CCCN(Cc3cc(F)ccc3-c3nn[nH]n3)CC2)cc1 ZINC000822771102 607057162 /nfs/dbraw/zinc/05/71/62/607057162.db2.gz BIBHGEHKEAQXCB-UHFFFAOYSA-N 1 0 384.434 2.853 20 0 GFADRO O[C@@]12CCCC[C@H]1C[N@H+](Cc1ccc(-c3nn[nH]n3)cc1OC(F)F)CC2 ZINC000823699594 607075777 /nfs/dbraw/zinc/07/57/77/607075777.db2.gz WGBYAXDRYWWMSN-KBXCAEBGSA-N 1 0 379.411 2.595 20 0 GFADRO C[C@@H](Cc1ccc(O)cc1)[N@H+](C)Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)o1 ZINC000820300982 607078014 /nfs/dbraw/zinc/07/80/14/607078014.db2.gz UDFPMWVBQBGOSX-ZDUSSCGKSA-N 1 0 391.435 2.685 20 0 GFADRO COc1cccc(NC(=O)C[C@@H](C)[NH2+][C@H](C)c2cccc(-c3nn[nH]n3)c2)c1 ZINC000821872689 607087433 /nfs/dbraw/zinc/08/74/33/607087433.db2.gz NSMQQTKMOGGUJJ-ZIAGYGMSSA-N 1 0 380.452 2.943 20 0 GFADRO C[C@@H]1C[NH+](CCCCNc2cc(-c3nn[nH]n3)c3ccccc3n2)C[C@@H](C)O1 ZINC000820758694 607173674 /nfs/dbraw/zinc/17/36/74/607173674.db2.gz BLUBNIHVRAMGLU-HUUCEWRRSA-N 1 0 381.484 2.716 20 0 GFADRO C[C@@H]1C[NH+](CCCCNc2cc(-c3nn[nH]n3)nc3ccccc32)C[C@@H](C)O1 ZINC000820761622 607173698 /nfs/dbraw/zinc/17/36/98/607173698.db2.gz YSOLDDVPFRELIG-HUUCEWRRSA-N 1 0 381.484 2.716 20 0 GFADRO FC(F)(F)c1ccc(N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)c(-c2nn[nH]n2)c1 ZINC000822724083 607174756 /nfs/dbraw/zinc/17/47/56/607174756.db2.gz YLSNLCBJUGZSLL-JKSUJKDBSA-N 1 0 396.417 2.941 20 0 GFADRO O=C(Nc1ccc(-c2nn[nH]n2)cc1Cl)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000823314549 607195164 /nfs/dbraw/zinc/19/51/64/607195164.db2.gz PPLDPQIRVZHOJR-ZDUSSCGKSA-N 1 0 375.864 2.612 20 0 GFADRO OC[C@H](C[NH2+]Cc1cc(-c2nn[nH]n2)cs1)Cc1ccccc1C(F)(F)F ZINC000823706875 607230080 /nfs/dbraw/zinc/23/00/80/607230080.db2.gz QLOOZZLWUUKZPJ-NSHDSACASA-N 1 0 397.426 2.888 20 0 GFADRO OC[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)Cc1ccccc1C(F)(F)F ZINC000823707335 607230162 /nfs/dbraw/zinc/23/01/62/607230162.db2.gz ZWDNONPZSWUKQX-CQSZACIVSA-N 1 0 391.397 2.826 20 0 GFADRO O=C(NC1CC[NH+](C2CC2)CC1)c1c(Cl)cc(-c2nn[nH]n2)cc1Cl ZINC000826431178 607833516 /nfs/dbraw/zinc/83/35/16/607833516.db2.gz TZZMIXNXUXIGOI-UHFFFAOYSA-N 1 0 381.267 2.530 20 0 GFADRO C[C@@H]([NH2+]Cc1ccccc1-c1nn[nH]n1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000824617681 607909112 /nfs/dbraw/zinc/90/91/12/607909112.db2.gz JQLBGUKCNRKYNP-ZBFHGGJFSA-N 1 0 386.500 2.992 20 0 GFADRO Cc1c(C[NH2+]Cc2cccc(OCc3cccc(-c4nn[nH]n4)c3)c2)cnn1C ZINC000826236220 607977303 /nfs/dbraw/zinc/97/73/03/607977303.db2.gz CSWPSFQAGCMZQE-UHFFFAOYSA-N 1 0 389.463 2.777 20 0 GFADRO C[C@@H]([NH2+][C@H]1CCCN(c2ccccc2F)C1=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000824545481 608047116 /nfs/dbraw/zinc/04/71/16/608047116.db2.gz CRJMKDHHIHZTMX-DYVFJYSZSA-N 1 0 380.427 2.852 20 0 GFADRO COc1ccc([C@](C)(O)[C@H]2CCC[N@@H+]2Cc2cccc(-c3nn[nH]n3)c2)cc1 ZINC000826188381 608064490 /nfs/dbraw/zinc/06/44/90/608064490.db2.gz VSUMWPOIYFIPJF-CTNGQTDRSA-N 1 0 379.464 2.747 20 0 GFADRO COc1ccc([C@@](C)(O)[C@H]2CCC[N@@H+]2Cc2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000826188042 608064643 /nfs/dbraw/zinc/06/46/43/608064643.db2.gz MCCVEKLHPNNSPK-TZIWHRDSSA-N 1 0 379.464 2.747 20 0 GFADRO Cc1cccc([C@H]2CC[N@H+](CCC(=O)Nc3cccc(-c4nn[nH]n4)c3)C2)c1 ZINC000826297742 608127853 /nfs/dbraw/zinc/12/78/53/608127853.db2.gz QMIAXIPADJTXMK-SFHVURJKSA-N 1 0 376.464 2.993 20 0 GFADRO Cc1cccc([C@@H]2CC[N@@H+]([C@H]3CCN(c4sccc4-c4nn[nH]n4)C3=O)C2)c1 ZINC000826297948 608128222 /nfs/dbraw/zinc/12/82/22/608128222.db2.gz XRVSDDBUFMBNFS-WBVHZDCISA-N 1 0 394.504 2.831 20 0 GFADRO Cc1ccc([C@@H](C)[NH2+]C2CCN(c3ccc(-c4nn[nH]n4)cn3)CC2)c(C)n1 ZINC000826283686 608201394 /nfs/dbraw/zinc/20/13/94/608201394.db2.gz XMDGVHUDDYIXOX-OAHLLOKOSA-N 1 0 378.484 2.593 20 0 GFADRO c1cncc(CC2CC[NH+](CCCOc3cccc(-c4nn[nH]n4)c3)CC2)c1 ZINC000826525704 608210392 /nfs/dbraw/zinc/21/03/92/608210392.db2.gz WECCHBLVSCXUCL-UHFFFAOYSA-N 1 0 378.480 2.985 20 0 GFADRO COc1ccc([C@@H](OC)[C@@H](C)[NH2+]Cc2ccc(OC)c(-c3nn[nH]n3)c2)cc1 ZINC000826188988 608252173 /nfs/dbraw/zinc/25/21/73/608252173.db2.gz KXDKVWJESKBIDZ-YJYMSZOUSA-N 1 0 383.452 2.750 20 0 GFADRO c1cc(OCCC[N@@H+]2CCC[C@H](c3nnc(C4CC4)[nH]3)C2)cc(-c2nn[nH]n2)c1 ZINC000826517539 608256261 /nfs/dbraw/zinc/25/62/61/608256261.db2.gz HJTMHQDAOZKPCP-INIZCTEOSA-N 1 0 394.483 2.511 20 0 GFADRO C[C@@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000824976053 608266216 /nfs/dbraw/zinc/26/62/16/608266216.db2.gz MFMAVQVQFQROOC-JKSUJKDBSA-N 1 0 391.479 2.993 20 0 GFADRO COc1ccc2c(c1)[C@H]([NH2+]CCOc1ccc(-c3nn[nH]n3)cc1)CCCO2 ZINC000826212028 608282890 /nfs/dbraw/zinc/28/28/90/608282890.db2.gz DKJDZNMGYPHWBK-GOSISDBHSA-N 1 0 381.436 2.758 20 0 GFADRO COc1ccc(C[NH2+][C@H](C)CC(=O)Nc2cccc(C)c2)cc1-c1nn[nH]n1 ZINC000826201771 608286385 /nfs/dbraw/zinc/28/63/85/608286385.db2.gz DHDLZYXTDDBGTC-CQSZACIVSA-N 1 0 380.452 2.691 20 0 GFADRO c1cn(C[N@H+]2CCC[C@@H](C[C@@H]3CCOC3)C2)nc1-c1ccc(-c2nn[nH]n2)cc1 ZINC000826513260 608298641 /nfs/dbraw/zinc/29/86/41/608298641.db2.gz GBYGSXHDHBXYNY-IRXDYDNUSA-N 1 0 393.495 2.826 20 0 GFADRO c1c2c(nc(N3CC[C@H]4[C@@H](CCC[N@H+]4C4CC4)C3)c1-c1nn[nH]n1)CCCC2 ZINC000826512269 608299704 /nfs/dbraw/zinc/29/97/04/608299704.db2.gz VCMYLAXPFOHLHV-KXBFYZLASA-N 1 0 379.512 2.594 20 0 GFADRO COCCn1cc(C[NH2+]Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)cn1 ZINC000826163617 608310418 /nfs/dbraw/zinc/31/04/18/608310418.db2.gz CIKKVAAAMFFSCE-UHFFFAOYSA-N 1 0 389.463 2.666 20 0 GFADRO Cc1nn(-c2ccccc2)c(C[N@@H+]2CCC[C@H]([C@@H]3CCOC3)C2)c1-c1nn[nH]n1 ZINC000826332463 608317233 /nfs/dbraw/zinc/31/72/33/608317233.db2.gz VJUSUYZNBISRJC-DLBZAZTESA-N 1 0 393.495 2.609 20 0 GFADRO COCC1(C)CC[NH+](Cc2c(-c3nn[nH]n3)c(C)nn2-c2ccccc2)CC1 ZINC000826152899 608328247 /nfs/dbraw/zinc/32/82/47/608328247.db2.gz SIPXNMDXGHAXHA-UHFFFAOYSA-N 1 0 381.484 2.609 20 0 GFADRO COc1cc(-c2nn[nH]n2)ccc1CN1CC[C@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000826168498 608366975 /nfs/dbraw/zinc/36/69/75/608366975.db2.gz PJSUMTVXPHFVPB-KRWDZBQOSA-N 1 0 392.507 2.972 20 0 GFADRO Cn1cnc2cc(C[NH2+]CCSCc3ccccc3-c3nn[nH]n3)ccc21 ZINC000826365071 608426853 /nfs/dbraw/zinc/42/68/53/608426853.db2.gz AFRXACTZWCRJLQ-UHFFFAOYSA-N 1 0 379.493 2.776 20 0 GFADRO CC(C)Oc1ccc([C@H](C)[NH2+]C[C@H](O)COc2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000824323914 608438061 /nfs/dbraw/zinc/43/80/61/608438061.db2.gz DAAYYSQGURCZHZ-YJBOKZPZSA-N 1 0 397.479 2.744 20 0 GFADRO CC[C@@H]([NH2+][C@@H](C)c1ccc(-c2nn[nH]n2)cc1)C(=O)Nc1ccc(OC)cc1 ZINC000825139987 608464079 /nfs/dbraw/zinc/46/40/79/608464079.db2.gz IETQRGTWPURVRG-SCLBCKFNSA-N 1 0 380.452 2.943 20 0 GFADRO CCc1ccc([C@H](C)NC(=O)C[NH2+][C@@H](C)c2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000825704650 608467877 /nfs/dbraw/zinc/46/78/77/608467877.db2.gz LXIWRADOEAPYFU-GJZGRUSLSA-N 1 0 378.480 2.957 20 0 GFADRO COc1ccc(-c2nn[nH]n2)cc1C[NH2+][C@H](C)c1ccc(N2CCOC2=O)cc1 ZINC000826184154 608475535 /nfs/dbraw/zinc/47/55/35/608475535.db2.gz MSWUVEBXPMUKOE-CYBMUJFWSA-N 1 0 394.435 2.683 20 0 GFADRO C[C@H]([NH2+]CCOc1cccc(-c2nn[nH]n2)c1)c1ccc(N2CCCC2=O)cc1 ZINC000824599874 608476107 /nfs/dbraw/zinc/47/61/07/608476107.db2.gz UBHGTTWCMKWXIR-HNNXBMFYSA-N 1 0 392.463 2.723 20 0 GFADRO Cc1ccc(S(=O)(=O)CCC[NH2+][C@@H](C)c2cccc(-c3nn[nH]n3)c2)cc1 ZINC000826292885 608483689 /nfs/dbraw/zinc/48/36/89/608483689.db2.gz QQPMEWTYCBWXAH-HNNXBMFYSA-N 1 0 385.493 2.690 20 0 GFADRO C[C@@H]([NH2+]C[C@@H](O)COCc1ccc(Cl)cc1)c1cccc(-c2nn[nH]n2)c1 ZINC000824570561 608484738 /nfs/dbraw/zinc/48/47/38/608484738.db2.gz NEUTYKDMIQUVFJ-FZKQIMNGSA-N 1 0 387.871 2.748 20 0 GFADRO COc1ccc(Cl)cc1NC(=O)C[NH2+][C@H](C)c1cccc(-c2nn[nH]n2)c1 ZINC000826208613 608486791 /nfs/dbraw/zinc/48/67/91/608486791.db2.gz RZYFZASZOGHKOE-LLVKDONJSA-N 1 0 386.843 2.818 20 0 GFADRO c1ccc(N2CCC([NH2+][C@@H]3CCCc4cc(-c5nn[nH]n5)ccc43)CC2)nc1 ZINC000826521840 608502578 /nfs/dbraw/zinc/50/25/78/608502578.db2.gz AHVXJIKTKQFXJY-LJQANCHMSA-N 1 0 375.480 2.898 20 0 GFADRO CC(C)c1nc2n(n1)C[C@H]([NH2+][C@@H]1CCCc3cc(-c4nn[nH]n4)ccc31)CC2 ZINC000824364991 608519538 /nfs/dbraw/zinc/51/95/38/608519538.db2.gz XSDXZBMXABICKS-NVXWUHKLSA-N 1 0 378.484 2.564 20 0 GFADRO Cc1ccccc1[C@@H]([NH2+]CC(=O)NCc1cccc(-c2nn[nH]n2)c1)C(C)C ZINC000826306005 608520231 /nfs/dbraw/zinc/52/02/31/608520231.db2.gz NZAGBMHODFDWEG-FQEVSTJZSA-N 1 0 378.480 2.778 20 0 GFADRO O=C(CC[NH2+][C@H](c1ccccc1)[C@H]1CCOC1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000826407182 608526552 /nfs/dbraw/zinc/52/65/52/608526552.db2.gz DUTDRDFLTDFWOH-FXAWDEMLSA-N 1 0 392.463 2.563 20 0 GFADRO C[C@@H]([NH2+]CCOc1ccc(-c2nn[nH]n2)cc1)c1cccc(-n2cccn2)c1 ZINC000824600193 608527783 /nfs/dbraw/zinc/52/77/83/608527783.db2.gz XQILNBXTOVBJOV-OAHLLOKOSA-N 1 0 375.436 2.782 20 0 GFADRO C[C@@H]([NH2+]C[C@H](O)COc1ccc(-c2nn[nH]n2)cc1)c1c(F)cccc1Cl ZINC000824568581 608552989 /nfs/dbraw/zinc/55/29/89/608552989.db2.gz ASOCOGUIKVZJLY-YPMHNXCESA-N 1 0 391.834 2.750 20 0 GFADRO CN1C(=O)C[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)[C@H]1c1ccc(Cl)cc1 ZINC000826010953 608568790 /nfs/dbraw/zinc/56/87/90/608568790.db2.gz RJGMYKKKFGPDTP-FUHWJXTLSA-N 1 0 382.855 2.582 20 0 GFADRO Cc1nn(C)c(N(C)C)c1C[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)CC(C)C ZINC000826334258 608568858 /nfs/dbraw/zinc/56/88/58/608568858.db2.gz OAVTZPFNRGPZGA-UHFFFAOYSA-N 1 0 382.516 2.633 20 0 GFADRO C[NH+]1CCN(c2ccc(NC(=O)c3ccc(Cl)c(-c4nn[nH]n4)c3)cc2)CC1 ZINC000826045371 608573367 /nfs/dbraw/zinc/57/33/67/608573367.db2.gz VQWYHRMWXPVMFW-UHFFFAOYSA-N 1 0 397.870 2.524 20 0 GFADRO CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC000824108978 608578815 /nfs/dbraw/zinc/57/88/15/608578815.db2.gz LZJCIBOXBBAYNN-HUUCEWRRSA-N 1 0 376.436 2.541 20 0 GFADRO Fc1cccc(N2CC[NH+](C[C@H]3CCOc4ccccc43)CC2)c1-c1nn[nH]n1 ZINC000826377423 608596340 /nfs/dbraw/zinc/59/63/40/608596340.db2.gz RLZKQNXJVQHDCZ-OAHLLOKOSA-N 1 0 394.454 2.694 20 0 GFADRO CC(C)(C)OC(=O)NC[C@@H]1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC000824109106 608634810 /nfs/dbraw/zinc/63/48/10/608634810.db2.gz NEOCBPPVTROPOU-LBPRGKRZSA-N 1 0 378.502 2.665 20 0 GFADRO O=C(NC[C@@H]1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C1)c1ccccc1 ZINC000826435857 608661458 /nfs/dbraw/zinc/66/14/58/608661458.db2.gz ZNAZEXPEFQPXGE-AWEZNQCLSA-N 1 0 382.493 2.570 20 0 GFADRO CN(C[C@@H]1CC[N@H+](Cc2cc(-c3nn[nH]n3)cs2)C1)C(=O)OC(C)(C)C ZINC000825908424 608680657 /nfs/dbraw/zinc/68/06/57/608680657.db2.gz HLKFBJYXKARJBH-LBPRGKRZSA-N 1 0 378.502 2.617 20 0 GFADRO CC1(C)CC[C@H](C[NH2+][C@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)c2ccccc21 ZINC000824795930 608750232 /nfs/dbraw/zinc/75/02/32/608750232.db2.gz JGCDYHVCQJIRJR-APWZRJJASA-N 1 0 390.491 2.838 20 0 GFADRO Cn1cc(C[N@H+]2CC=C(c3ccc(-c4nn[nH]n4)cc3)CC2)c(-c2ccncc2)n1 ZINC000826360796 608857643 /nfs/dbraw/zinc/85/76/43/608857643.db2.gz YLHSDSZIAQOWCT-UHFFFAOYSA-N 1 0 398.474 2.952 20 0 GFADRO CCN(CC[NH2+][C@@H](C)c1ccc(-c2nn[nH]n2)c(F)c1)C(=O)OC(C)(C)C ZINC000825424524 609140271 /nfs/dbraw/zinc/14/02/71/609140271.db2.gz JJVKUXGTEOGWBL-LBPRGKRZSA-N 1 0 378.452 2.913 20 0 GFADRO C[C@@H]([NH2+][C@@H]1CCCN(Cc2ccccc2)C1=O)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824547130 609154200 /nfs/dbraw/zinc/15/42/00/609154200.db2.gz MSXRUDGUFIGFGU-AUUYWEPGSA-N 1 0 394.454 2.848 20 0 GFADRO c1cn(C[N@@H+]2CCC[C@H]2C2CCOCC2)nc1-c1ccc(-c2nn[nH]n2)cc1 ZINC000826513808 609162024 /nfs/dbraw/zinc/16/20/24/609162024.db2.gz WNEQZWRIHHVSFO-IBGZPJMESA-N 1 0 379.468 2.579 20 0 GFADRO CC[C@@H](Cc1ccccc1)[NH2+][C@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000825127579 609169250 /nfs/dbraw/zinc/16/92/50/609169250.db2.gz NUCNKGSMVAAEIH-ICSRJNTNSA-N 1 0 390.491 2.973 20 0 GFADRO O=C1[C@H]([NH2+]Cc2cc(-c3nn[nH]n3)cs2)CCN1c1ccc(F)c(Cl)c1 ZINC000826477163 609188763 /nfs/dbraw/zinc/18/87/63/609188763.db2.gz WUMGEYBKXCCHSV-CQSZACIVSA-N 1 0 392.847 2.616 20 0 GFADRO O[C@H](C[N@H+](Cc1ccccc1)Cc1ccccc1-c1nn[nH]n1)C(F)(F)F ZINC000826502491 609296400 /nfs/dbraw/zinc/29/64/00/609296400.db2.gz DWFILMQDDUKSJU-MRXNPFEDSA-N 1 0 377.370 2.792 20 0 GFADRO NC(=O)[C@H]([NH2+][C@H]1CC=C(c2ccc(F)cc2)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000826389342 609314780 /nfs/dbraw/zinc/31/47/80/609314780.db2.gz VWNONPJSIJMMTI-RBUKOAKNSA-N 1 0 392.438 2.758 20 0 GFADRO C[C@@H]([NH2+]CCNC(=O)c1ccc(Cl)cc1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824599095 609330476 /nfs/dbraw/zinc/33/04/76/609330476.db2.gz MDUIBNJLDPAWJR-LLVKDONJSA-N 1 0 388.834 2.740 20 0 GFADRO C[C@H]([NH2+]CCNC(=O)c1ccc(Cl)cc1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824599099 609330758 /nfs/dbraw/zinc/33/07/58/609330758.db2.gz MDUIBNJLDPAWJR-NSHDSACASA-N 1 0 388.834 2.740 20 0 GFADRO C[C@@H]([NH2+]Cc1ccccc1N1CCOCC1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824627647 609331192 /nfs/dbraw/zinc/33/11/92/609331192.db2.gz ZSCWOVRXEPGESX-CQSZACIVSA-N 1 0 382.443 2.693 20 0 GFADRO Cc1nc(CC[NH2+]Cc2cn(C)nc2-c2ccc(-c3nn[nH]n3)cc2)sc1C ZINC000826326098 609341568 /nfs/dbraw/zinc/34/15/68/609341568.db2.gz ZZGNJXDUTFWAPE-UHFFFAOYSA-N 1 0 394.508 2.673 20 0 GFADRO Cn1cc(C[NH2+]CCOCc2ccccc2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826361525 609341938 /nfs/dbraw/zinc/34/19/38/609341938.db2.gz AWXYQIOGAPVRRY-UHFFFAOYSA-N 1 0 389.463 2.574 20 0 GFADRO Cc1noc(C)c1[C@H](C)C[NH2+]Cc1cn(C)nc1-c1ccc(-c2nn[nH]n2)cc1 ZINC000826339012 609343706 /nfs/dbraw/zinc/34/37/06/609343706.db2.gz ONNABXVSDZHEOI-GFCCVEGCSA-N 1 0 392.467 2.765 20 0 GFADRO COc1cccc([C@@H]2[C@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)CCN2C2CC2)c1 ZINC000826215268 609346673 /nfs/dbraw/zinc/34/66/73/609346673.db2.gz KITZQKVYKZHMNC-NHCUHLMSSA-N 1 0 390.491 2.943 20 0 GFADRO C[C@H](NC(=O)Nc1ccc(F)c(-c2nn[nH]n2)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000824506444 609352983 /nfs/dbraw/zinc/35/29/83/609352983.db2.gz ONWSRGKRMZCOHV-STQMWFEESA-N 1 0 387.463 2.780 20 0 GFADRO Clc1ccc(CN2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)nc1 ZINC000826352349 609357432 /nfs/dbraw/zinc/35/74/32/609357432.db2.gz XULMCYKTWIOUBZ-UHFFFAOYSA-N 1 0 383.887 2.623 20 0 GFADRO CC[N@@H+]1C[C@@H](C)N(Cc2ccc(-c3nn[nH]n3)cc2Br)C[C@@H]1C ZINC000825452506 609366431 /nfs/dbraw/zinc/36/64/31/609366431.db2.gz PQNARBOYUVTIPP-NWDGAFQWSA-N 1 0 379.306 2.544 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)c1ccccc1Oc1ccccc1-c1nn[nH]n1 ZINC000826431211 609377983 /nfs/dbraw/zinc/37/79/83/609377983.db2.gz VKZRLNZJTPGCFV-CQSZACIVSA-N 1 0 390.447 2.626 20 0 GFADRO C[C@@H]([NH2+][C@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O)c1ccc(F)cc1 ZINC000824548345 609412723 /nfs/dbraw/zinc/41/27/23/609412723.db2.gz WIYDICATABYDCZ-ACJLOTCBSA-N 1 0 380.427 2.852 20 0 GFADRO C[C@H](NC(=O)Nc1ccc(-c2nn[nH]n2)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000824505231 609447717 /nfs/dbraw/zinc/44/77/17/609447717.db2.gz ABZIEVKLWQISIY-YJBOKZPZSA-N 1 0 391.479 2.899 20 0 GFADRO COc1ccc([C@H](CNc2nccc(C)c2-c2nn[nH]n2)[NH+]2CCCC2)cc1 ZINC000826188843 609518866 /nfs/dbraw/zinc/51/88/66/609518866.db2.gz IOJQIBPATXFGIG-KRWDZBQOSA-N 1 0 379.468 2.828 20 0 GFADRO COc1cccc(C[NH+]2CCC(Nc3nccc(C)c3-c3nn[nH]n3)CC2)c1 ZINC000826216399 609536944 /nfs/dbraw/zinc/53/69/44/609536944.db2.gz XFYMEAKLKLSUMC-UHFFFAOYSA-N 1 0 379.468 2.655 20 0 GFADRO Cc1cc(C)cc(C[NH2+][C@@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)c1 ZINC000826264616 609600440 /nfs/dbraw/zinc/60/04/40/609600440.db2.gz UHUMDKITAIASEY-LJQANCHMSA-N 1 0 376.464 2.769 20 0 GFADRO C[NH+](C)CCn1ccc(NC(=O)c2[nH]c3ccccc3c2Br)n1 ZINC000509844053 650501845 /nfs/dbraw/zinc/50/18/45/650501845.db2.gz YJQHDJGISUIJGJ-UHFFFAOYSA-N 1 0 376.258 2.941 20 0 GFADRO CC[NH+]1CCN(Cc2ccccc2CNc2ncncc2Br)CC1 ZINC000481703102 650651464 /nfs/dbraw/zinc/65/14/64/650651464.db2.gz JPXRTYZLVIFWKX-UHFFFAOYSA-N 1 0 390.329 2.989 20 0 GFADRO CC[N@H+](CCNC(=O)/C(=C\c1cccs1)NC(C)=O)CCC(F)(F)F ZINC000817597202 660202199 /nfs/dbraw/zinc/20/21/99/660202199.db2.gz WVIYEYLXDRLUAV-SDNWHVSQSA-N 1 0 377.432 2.616 20 0 GFADRO O=C(c1cc(=O)[nH]c2ccc(Br)cc21)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000818016219 660213701 /nfs/dbraw/zinc/21/37/01/660213701.db2.gz QLLXNZCRLJDOKP-QGZVFWFLSA-N 1 0 376.254 2.671 20 0 GFADRO CN(C[C@H](O)C[NH2+]Cc1csc(Br)c1)C(=O)OC(C)(C)C ZINC000818167296 660218405 /nfs/dbraw/zinc/21/84/05/660218405.db2.gz TWTDIKODMPQQBW-LLVKDONJSA-N 1 0 379.320 2.828 20 0 GFADRO CN(C[C@@H](O)C[NH2+]Cc1cc(F)cc(Br)c1)C(=O)OC(C)(C)C ZINC000818168836 660218409 /nfs/dbraw/zinc/21/84/09/660218409.db2.gz WDPVREFFLNMIRW-AWEZNQCLSA-N 1 0 391.281 2.906 20 0 GFADRO COc1ccccc1[C@@H]([NH3+])CNC(=O)c1sc(N2CCCC2)nc1Cl ZINC000818558926 660228461 /nfs/dbraw/zinc/22/84/61/660228461.db2.gz USGJKMUAKQLCHL-LBPRGKRZSA-N 1 0 380.901 2.835 20 0 GFADRO O=S(=O)(CC[NH2+][C@@H](Cc1ccncc1)c1cccs1)C1CCOCC1 ZINC000818340581 660223874 /nfs/dbraw/zinc/22/38/74/660223874.db2.gz SCGGWEWGXKAWLU-KRWDZBQOSA-N 1 0 380.535 2.610 20 0 GFADRO C/C(=C\C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1cccc(Cl)c1 ZINC000818594220 660229318 /nfs/dbraw/zinc/22/93/18/660229318.db2.gz KQKAODMCEDEGJU-RZXPCSSPSA-N 1 0 375.822 2.696 20 0 GFADRO Cn1ccnc1[C@@](O)(CC[NH2+]C[C@H](O)c1cccc(Cl)c1)C(F)(F)F ZINC000818969347 660239277 /nfs/dbraw/zinc/23/92/77/660239277.db2.gz DBZZITQYANWAEG-ZFWWWQNUSA-N 1 0 377.794 2.537 20 0 GFADRO CNS(=O)(=O)c1ccc(C[NH2+]C[C@H](O)c2ccc(Cl)cc2Cl)s1 ZINC000818947801 660236584 /nfs/dbraw/zinc/23/65/84/660236584.db2.gz KPXOHLPZMOMSCG-ZDUSSCGKSA-N 1 0 395.333 2.786 20 0 GFADRO CC(C)NC(=O)CC[NH2+]C[C@@](C)(O)c1ccc(Br)cc1Cl ZINC000818951372 660237110 /nfs/dbraw/zinc/23/71/10/660237110.db2.gz CTZFIIKVGYWJNF-OAHLLOKOSA-N 1 0 377.710 2.814 20 0 GFADRO O=S(=O)(CC[NH2+]C[C@@H](O)c1ccc(F)cc1F)c1ccc(Cl)cc1 ZINC000818973497 660239903 /nfs/dbraw/zinc/23/99/03/660239903.db2.gz REHLCPSIAQDNKH-MRXNPFEDSA-N 1 0 375.824 2.715 20 0 GFADRO CC(C)(C)OC(=O)NCC[C@@H](O)C[NH2+]Cc1sccc1Br ZINC000818985056 660241505 /nfs/dbraw/zinc/24/15/05/660241505.db2.gz MJYAKJVPHGHNDZ-SNVBAGLBSA-N 1 0 379.320 2.876 20 0 GFADRO O=C(C[NH2+]C[C@H](O)c1ccccc1Br)N1CCc2ccccc2C1 ZINC000819002370 660242851 /nfs/dbraw/zinc/24/28/51/660242851.db2.gz KIIVNKCHPDKVJO-SFHVURJKSA-N 1 0 389.293 2.657 20 0 GFADRO Cc1ncc2c(n1)CCC[C@H]2[NH2+]C[C@H](O)COc1cccc(Br)c1 ZINC000819079418 660245651 /nfs/dbraw/zinc/24/56/51/660245651.db2.gz AAKRSNGRGGRCEK-WMLDXEAASA-N 1 0 392.297 2.954 20 0 GFADRO COC1CCN(C(C)(C)C[NH2+]C[C@H](O)c2ccc(Br)cc2)CC1 ZINC000819038799 660244113 /nfs/dbraw/zinc/24/41/13/660244113.db2.gz MDMSFSHJZOIBHH-KRWDZBQOSA-N 1 0 385.346 2.962 20 0 GFADRO CC(C)(C)S(=O)(=O)CC[NH2+]C[C@@](C)(O)c1ccc(Br)cc1F ZINC000819060927 660244965 /nfs/dbraw/zinc/24/49/65/660244965.db2.gz MDNOLTHJDZXETK-OAHLLOKOSA-N 1 0 396.322 2.599 20 0 GFADRO C[C@H](OC[C@H](O)C[NH2+]CCS(=O)(=O)C(C)(C)C)c1ccc(Cl)cc1 ZINC000819060341 660245014 /nfs/dbraw/zinc/24/50/14/660245014.db2.gz IBCDYYMJCNRVFY-XJKSGUPXSA-N 1 0 377.934 2.581 20 0 GFADRO CS(=O)(=O)c1ccc([C@H](O)C[NH2+]Cc2cc(Cl)cc3c2OCC3)cc1 ZINC000819228018 660250955 /nfs/dbraw/zinc/25/09/55/660250955.db2.gz GOMGEXDEBSMIAP-QGZVFWFLSA-N 1 0 381.881 2.502 20 0 GFADRO CN(C)[C@]1(C[NH2+]C[C@H](O)c2ccc(F)c(Br)c2)CCSC1 ZINC000819129913 660247384 /nfs/dbraw/zinc/24/73/84/660247384.db2.gz DDSWXWAKPSZVNQ-GJZGRUSLSA-N 1 0 377.323 2.649 20 0 GFADRO O=C1[C@H]([NH2+]C[C@@H](O)c2cccc(Br)c2)CCCN1CC(F)(F)F ZINC000819181937 660249105 /nfs/dbraw/zinc/24/91/05/660249105.db2.gz DVFIEQCJEWFJLX-CHWSQXEVSA-N 1 0 395.219 2.625 20 0 GFADRO CS(=O)(=O)c1ccc([C@H](O)C[NH2+]CCOCc2ccc(Cl)cc2)cc1 ZINC000819191309 660249570 /nfs/dbraw/zinc/24/95/70/660249570.db2.gz WYPITICPEGBFJY-GOSISDBHSA-N 1 0 383.897 2.583 20 0 GFADRO CCNS(=O)(=O)c1cccc(C[NH2+]C[C@@H](O)c2ccc(Cl)c(F)c2)c1 ZINC000819359286 660256878 /nfs/dbraw/zinc/25/68/78/660256878.db2.gz DMEWGYOIZCRKEQ-QGZVFWFLSA-N 1 0 386.876 2.601 20 0 GFADRO CNC(=O)C[C@@H]([NH2+]C[C@@H](O)c1cccc(Br)c1)c1ccccc1 ZINC000819280581 660253367 /nfs/dbraw/zinc/25/33/67/660253367.db2.gz JUQICALYSUCNRO-IAGOWNOFSA-N 1 0 377.282 2.950 20 0 GFADRO CCN1CC[C@@H]([NH2+]C[C@@](C)(O)c2ccc(Br)cc2Cl)C1=O ZINC000819299603 660254180 /nfs/dbraw/zinc/25/41/80/660254180.db2.gz XUUDTBRAEXVJGF-UKRRQHHQSA-N 1 0 375.694 2.520 20 0 GFADRO Cc1ccc([C@H](O)C[NH2+]CCNS(=O)(=O)c2ccc(Cl)cc2C)cc1 ZINC000819307921 660254478 /nfs/dbraw/zinc/25/44/78/660254478.db2.gz CADPVPNUZRASFY-QGZVFWFLSA-N 1 0 382.913 2.558 20 0 GFADRO Cn1nccc1[C@@H]1C[C@@H]([NH2+]C[C@H](O)c2ccc(F)c(Br)c2)CCO1 ZINC000819352694 660256372 /nfs/dbraw/zinc/25/63/72/660256372.db2.gz JHDSSEJDMGZNLE-ZLIFDBKOSA-N 1 0 398.276 2.865 20 0 GFADRO CCOC(=O)N1CC[C@H]([NH2+]C[C@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000819238472 660251468 /nfs/dbraw/zinc/25/14/68/660251468.db2.gz GNEOZKZOKLCANI-STQMWFEESA-N 1 0 377.268 2.554 20 0 GFADRO C[C@@](O)(C[NH2+]CCCCCS(C)(=O)=O)c1ccc(Br)cc1F ZINC000819243333 660251594 /nfs/dbraw/zinc/25/15/94/660251594.db2.gz UOQABRDGFYAZHL-OAHLLOKOSA-N 1 0 396.322 2.600 20 0 GFADRO C[C@](O)(C[NH2+]C[C@H]1CC[C@H](C(N)=O)CC1)c1ccc(Br)cc1F ZINC000819374788 660257274 /nfs/dbraw/zinc/25/72/74/660257274.db2.gz NKMKKPHWBPGCAS-PRXAMGSTSA-N 1 0 387.293 2.677 20 0 GFADRO C[N@@H+]1C[C@@H]2CCCN(S(=O)(=O)/C=C/c3ccccc3Br)[C@@H]2C1 ZINC000819913429 660274756 /nfs/dbraw/zinc/27/47/56/660274756.db2.gz IABCLUASIHLHFD-YBZQBRCDSA-N 1 0 385.327 2.776 20 0 GFADRO C[C@@H]1COCC[N@@H+]1C1CCN(C(=O)[C@@H](O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000820124703 660282420 /nfs/dbraw/zinc/28/24/20/660282420.db2.gz FVLQZHBZZKQSEV-PXAZEXFGSA-N 1 0 387.307 2.739 20 0 GFADRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)c3cnn4cccc(Br)c34)C2)C1 ZINC000820609324 660299335 /nfs/dbraw/zinc/29/93/35/660299335.db2.gz QJFWHIIUPVNALS-QGZVFWFLSA-N 1 0 377.286 2.655 20 0 GFADRO C[C@@H]1CN(C(=O)c2cc(Br)c3nccnc3c2)CC[N@@H+](C2CC2)C1 ZINC000820874451 660309048 /nfs/dbraw/zinc/30/90/48/660309048.db2.gz OZSJFSWUQMHRLL-LBPRGKRZSA-N 1 0 389.297 2.949 20 0 GFADRO Nc1cc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc(Br)n1 ZINC000821126161 660316765 /nfs/dbraw/zinc/31/67/65/660316765.db2.gz YIYBHOBTJXBUPL-SMDDNHRTSA-N 1 0 379.302 2.515 20 0 GFADRO C[NH+](C)C[C@@](C)(O)CNC(=O)C1(c2cc(Cl)cc(Br)c2)CC1 ZINC000821235053 660319031 /nfs/dbraw/zinc/31/90/31/660319031.db2.gz AIYKIDDBIZDLGK-HNNXBMFYSA-N 1 0 389.721 2.563 20 0 GFADRO C[C@H]1COCC[N@@H+]1C1CCN(C[C@H](O)c2cccc(Br)c2)CC1 ZINC000821278467 660319808 /nfs/dbraw/zinc/31/98/08/660319808.db2.gz BDWRUNPGHFLELP-KSSFIOAISA-N 1 0 383.330 2.668 20 0 GFADRO CS[C@@H]1CN(C(=O)c2csc(Br)n2)C[C@@H]1[NH+]1CCCC1 ZINC000821893334 660336533 /nfs/dbraw/zinc/33/65/33/660336533.db2.gz FZMXHNDZMJDLIQ-WDEREUQCSA-N 1 0 376.345 2.557 20 0 GFADRO C[C@@H]1C[NH+](CCCNC(=O)[C@H](O)c2ccc(Cl)c(Cl)c2)C[C@@H](C)O1 ZINC000822312769 660342838 /nfs/dbraw/zinc/34/28/38/660342838.db2.gz FYHVQXWBYZQJQE-XHBSWPGZSA-N 1 0 375.296 2.642 20 0 GFADRO Cc1ccc(NC(=O)N2CCO[C@H](CCC[NH+](C)C)C2)c(Br)n1 ZINC000822037017 660339219 /nfs/dbraw/zinc/33/92/19/660339219.db2.gz IBFBIGBUZRVQCR-CYBMUJFWSA-N 1 0 385.306 2.727 20 0 GFADRO CC1CC[NH+](CCNC(=O)c2ccc(C(F)(F)Br)nc2)CC1 ZINC000822059941 660339793 /nfs/dbraw/zinc/33/97/93/660339793.db2.gz XFRYIXMZRWXBNM-UHFFFAOYSA-N 1 0 376.245 2.988 20 0 GFADRO CC[N@@H+]1CCCN(C(=O)C[C@@H]2C(=O)Nc3ccc(Br)cc32)[C@@H](C)C1 ZINC000822569694 660348128 /nfs/dbraw/zinc/34/81/28/660348128.db2.gz WNDYDMLFGPNNES-WFASDCNBSA-N 1 0 394.313 2.818 20 0 GFADRO CS(=O)(=O)C1(c2nc(CCCc3ccccc3Cl)no2)CC[NH2+]CC1 ZINC000822817986 660355153 /nfs/dbraw/zinc/35/51/53/660355153.db2.gz FBDCWZBKBOTHIX-UHFFFAOYSA-N 1 0 383.901 2.522 20 0 GFADRO COCC[NH+](CCOC)C1CCN(C(=O)c2sccc2C(F)F)CC1 ZINC000822890519 660356974 /nfs/dbraw/zinc/35/69/74/660356974.db2.gz LBJKBQKRJNGFML-UHFFFAOYSA-N 1 0 376.469 2.885 20 0 GFADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(F)(F)c1ccccc1Br ZINC000823112458 660362196 /nfs/dbraw/zinc/36/21/96/660362196.db2.gz ISXKNKOSFUEHGA-GFCCVEGCSA-N 1 0 391.256 2.768 20 0 GFADRO CC(C)(c1noc(C2(S(C)(=O)=O)CC[NH2+]CC2)n1)c1ccccc1Cl ZINC000823129107 660362773 /nfs/dbraw/zinc/36/27/73/660362773.db2.gz NCQGGQYTSGHROJ-UHFFFAOYSA-N 1 0 383.901 2.672 20 0 GFADRO O=C(C[NH+]1CCCC1)NC1(Cc2ccc(F)cc2Br)CCOCC1 ZINC000823155933 660363340 /nfs/dbraw/zinc/36/33/40/660363340.db2.gz RAQGKSRXKMFSEC-UHFFFAOYSA-N 1 0 399.304 2.892 20 0 GFADRO COCc1nc(Cc2noc(C[C@@H]([NH3+])c3cc(C)nc(Cl)c3)n2)cs1 ZINC000823225514 660365554 /nfs/dbraw/zinc/36/55/54/660365554.db2.gz QORQXNHEGXIWLS-GFCCVEGCSA-N 1 0 379.873 2.863 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)NCC1SCCS1 ZINC000823407332 660371287 /nfs/dbraw/zinc/37/12/87/660371287.db2.gz PZLDJZLUUMUWGR-MRXNPFEDSA-N 1 0 380.583 2.884 20 0 GFADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1CNCC[N@@H+]1CCC[C@H]1C ZINC000824097652 660385383 /nfs/dbraw/zinc/38/53/83/660385383.db2.gz BIOJSNHKFKYADJ-ZIAGYGMSSA-N 1 0 398.345 2.536 20 0 GFADRO C[N@H+](CCn1cc(Br)cn1)C[C@]12C[C@H]1CN(C(=O)OC(C)(C)C)C2 ZINC000824408346 660391284 /nfs/dbraw/zinc/39/12/84/660391284.db2.gz IRXURAIKHKQMGW-GUYCJALGSA-N 1 0 399.333 2.834 20 0 GFADRO O=c1ccc(Br)cn1CC[NH2+][C@@H]1CC[C@@H]2SCCS[C@H]12 ZINC000824543175 660396390 /nfs/dbraw/zinc/39/63/90/660396390.db2.gz FTOADEGKEBLCMH-MBNYWOFBSA-N 1 0 375.357 2.580 20 0 GFADRO CC[S@](=O)CCNC(=O)Nc1nc2ccc(C[N@H+](C)C3CC3)cc2s1 ZINC000824741947 660400628 /nfs/dbraw/zinc/40/06/28/660400628.db2.gz XYBBFGWOFPXQIL-VWLOTQADSA-N 1 0 380.539 2.781 20 0 GFADRO C[C@@H](Cc1ccc(Br)cc1)[NH2+]CCS(=O)(=O)C1CCOCC1 ZINC000824903446 660404679 /nfs/dbraw/zinc/40/46/79/660404679.db2.gz GZAGVTFPJLFENL-ZDUSSCGKSA-N 1 0 390.343 2.564 20 0 GFADRO C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+]CCS(=O)(=O)C1CCOCC1 ZINC000824903728 660404686 /nfs/dbraw/zinc/40/46/86/660404686.db2.gz LRJKQWDWDVBGHB-CYBMUJFWSA-N 1 0 379.444 2.820 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)c1c(Br)nc2n1CCC2)c1ccc(F)cc1 ZINC000825368198 660423496 /nfs/dbraw/zinc/42/34/96/660423496.db2.gz PQOBTGYVIQRJBT-CYBMUJFWSA-N 1 0 395.276 2.764 20 0 GFADRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2cc(Br)n(C)n2)C1 ZINC000825390024 660424800 /nfs/dbraw/zinc/42/48/00/660424800.db2.gz XMQFVRJEFVQOOG-OCCSQVGLSA-N 1 0 377.286 2.748 20 0 GFADRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1c(Br)nc2n1CCC2 ZINC000825400619 660425527 /nfs/dbraw/zinc/42/55/27/660425527.db2.gz SEHABBCSGCIOTK-FRRDWIJNSA-N 1 0 383.334 2.688 20 0 GFADRO O=C(c1c(Br)nc2n1CCC2)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000825973037 660446814 /nfs/dbraw/zinc/44/68/14/660446814.db2.gz LLEMJKIUJLVYFG-ZDUSSCGKSA-N 1 0 381.318 2.682 20 0 GFADRO C[N@@H+]1CCC[C@H]2CN(c3ccc(Br)cc3-c3nn[nH]n3)CC[C@@H]21 ZINC000826033506 660448156 /nfs/dbraw/zinc/44/81/56/660448156.db2.gz FSFVMTPPPSIGRB-FZMZJTMJSA-N 1 0 377.290 2.550 20 0 GFADRO CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)C[C@]2(C)CC2(Cl)Cl)CC1 ZINC000826733786 660462703 /nfs/dbraw/zinc/46/27/03/660462703.db2.gz KCYGWSWECAKSHJ-QGZVFWFLSA-N 1 0 392.371 2.703 20 0 GFADRO O=C(C[C@@H]1C(=O)Nc2c1cccc2Br)N1CCC([NH+]2CCC2)CC1 ZINC000826936588 660472246 /nfs/dbraw/zinc/47/22/46/660472246.db2.gz SFNBBNIDYCQWOZ-AWEZNQCLSA-N 1 0 392.297 2.572 20 0 GFADRO O=C(c1cc2ccc(Br)cc2c(=O)o1)N1CCC([NH+]2CCC2)CC1 ZINC000826936547 660472261 /nfs/dbraw/zinc/47/22/61/660472261.db2.gz RIYUQFUFBMLZNH-UHFFFAOYSA-N 1 0 391.265 2.866 20 0 GFADRO C[C@]12CCN(C(=O)CC3CC[NH2+]CC3)C[C@H]1C2(Br)Br ZINC000852901846 661876888 /nfs/dbraw/zinc/87/68/88/661876888.db2.gz SXFVXIRMXBEREY-YPMHNXCESA-N 1 0 394.151 2.731 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCOc4ccc(Br)cc43)CC[C@H]21 ZINC000827231895 660485380 /nfs/dbraw/zinc/48/53/80/660485380.db2.gz JHZWCJPFAIVQAQ-IVMMDQJWSA-N 1 0 379.298 2.868 20 0 GFADRO Cc1sc2ncnc(SCC(=O)N3CC[C@@H]4[C@H](CC[N@H+]4C)C3)c2c1C ZINC000827365849 660492059 /nfs/dbraw/zinc/49/20/59/660492059.db2.gz KUIWYBIISUKBIN-ZIAGYGMSSA-N 1 0 376.551 2.953 20 0 GFADRO CC(=O)c1cc(Br)ccc1OCC(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000827253389 660486248 /nfs/dbraw/zinc/48/62/48/660486248.db2.gz GYQMGVYPIZMCCQ-CZUORRHYSA-N 1 0 395.297 2.583 20 0 GFADRO COc1cc(Br)c(C(=O)N2CC[C@H]3[C@H](CC[N@@H+]3C)C2)cc1OC ZINC000827256782 660486572 /nfs/dbraw/zinc/48/65/72/660486572.db2.gz XTPMMHOKPRPMSY-RISCZKNCSA-N 1 0 383.286 2.633 20 0 GFADRO COc1cc(C(=O)N2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)cc(Br)c1OC ZINC000827264271 660486932 /nfs/dbraw/zinc/48/69/32/660486932.db2.gz ALRGFALQVUPGND-FZMZJTMJSA-N 1 0 383.286 2.633 20 0 GFADRO C[N@@H+]1CC[C@H]2CN(C(=O)c3cccc(F)c3I)CC[C@@H]21 ZINC000827299193 660488138 /nfs/dbraw/zinc/48/81/38/660488138.db2.gz KABMHSLTXXETIJ-GWCFXTLKSA-N 1 0 388.224 2.597 20 0 GFADRO Cc1c(Br)csc1C(=O)N1CCC([NH+]2CCN(C)CC2)CC1 ZINC000827426394 660494974 /nfs/dbraw/zinc/49/49/74/660494974.db2.gz XAWOJYIOTLQTFW-UHFFFAOYSA-N 1 0 386.359 2.671 20 0 GFADRO Cc1ccc(Br)cc1CC(=O)N1CCC([NH+]2CCN(C)CC2)CC1 ZINC000827435675 660495363 /nfs/dbraw/zinc/49/53/63/660495363.db2.gz ROPPEMGTKHEXDY-UHFFFAOYSA-N 1 0 394.357 2.538 20 0 GFADRO C[NH+]1C[C@]2(C)CN(C(=O)c3cc(Br)c4nccnc4c3)C[C@@]2(C)C1 ZINC000827598810 660504064 /nfs/dbraw/zinc/50/40/64/660504064.db2.gz USUWMMWGGBUIQN-QZTJIDSGSA-N 1 0 389.297 2.806 20 0 GFADRO CC[N@H+](C)C[C@H]1CCN(C(=O)[C@@]2(C)CC2(Br)Br)C1 ZINC000829208407 660585167 /nfs/dbraw/zinc/58/51/67/660585167.db2.gz PORJAXJCOHPXDA-ZYHUDNBSSA-N 1 0 382.140 2.683 20 0 GFADRO Cc1ccc(CC(=O)N(C)CC[NH+]2CC3(C2)CCOCC3)cc1Br ZINC000829242907 660586203 /nfs/dbraw/zinc/58/62/03/660586203.db2.gz YRPDNKXROAKCIC-UHFFFAOYSA-N 1 0 395.341 2.871 20 0 GFADRO CN(C(=O)c1cc(Br)n[nH]1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000829467965 660593746 /nfs/dbraw/zinc/59/37/46/660593746.db2.gz RXKKPOVLJAMRQD-AWEZNQCLSA-N 1 0 377.286 2.909 20 0 GFADRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1cc(Br)n[nH]1 ZINC000829694486 660607628 /nfs/dbraw/zinc/60/76/28/660607628.db2.gz OZBCWIWWIYWJCV-TZMCWYRMSA-N 1 0 377.286 2.813 20 0 GFADRO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)c1cc(Br)n[nH]1 ZINC000829831657 660616002 /nfs/dbraw/zinc/61/60/02/660616002.db2.gz QIFZFZDZZMGVFD-UHFFFAOYSA-N 1 0 385.228 2.909 20 0 GFADRO O=C1OCCN1C[C@@H]1CC[N@@H+](C[C@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000830094965 660634627 /nfs/dbraw/zinc/63/46/27/660634627.db2.gz JZZHMLDGHVIHSL-OCCSQVGLSA-N 1 0 389.279 2.507 20 0 GFADRO C[N@@H+](Cc1ccccc1)CC1CCN(S(=O)(=O)c2c[nH]nc2Cl)CC1 ZINC000830361199 660650306 /nfs/dbraw/zinc/65/03/06/660650306.db2.gz GLCOJNLSEZINFY-UHFFFAOYSA-N 1 0 382.917 2.596 20 0 GFADRO [NH3+][C@H](CC(=O)Nc1ccc(CCn2cc(Br)cn2)cc1)C1CC1 ZINC000830428616 660655858 /nfs/dbraw/zinc/65/58/58/660655858.db2.gz KDIRDUPQYKCAJD-MRXNPFEDSA-N 1 0 377.286 2.954 20 0 GFADRO C[C@H](NS(=O)(=O)c1cnc(Cl)c(Br)c1)C(C)(C)C[NH+](C)C ZINC000830828858 660682351 /nfs/dbraw/zinc/68/23/51/660682351.db2.gz ZVXUWGHVWXEPLN-VIFPVBQESA-N 1 0 398.754 2.752 20 0 GFADRO CCO[C@@H](CNC(=O)c1cc(Cl)cc(F)c1Br)C[NH+](C)C ZINC000831720083 660722442 /nfs/dbraw/zinc/72/24/42/660722442.db2.gz XDWCXJATBRJOGX-JTQLQIEISA-N 1 0 381.673 2.938 20 0 GFADRO CCCN(CC(=O)Nc1ccc(Cl)cc1Cl)C(=O)[C@@]1(F)CC[NH2+]C1 ZINC000831773900 660725841 /nfs/dbraw/zinc/72/58/41/660725841.db2.gz BZROCVRDKNUKOM-MRXNPFEDSA-N 1 0 376.259 2.872 20 0 GFADRO C[C@@H](NC(=O)c1cc(Br)n[nH]1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000831828872 660730208 /nfs/dbraw/zinc/73/02/08/660730208.db2.gz RZXAPHDKCHFGKI-OCCSQVGLSA-N 1 0 377.286 2.813 20 0 GFADRO CC(C)C[C@H](Nc1nnc(C(F)(F)F)s1)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000631345201 653235276 /nfs/dbraw/zinc/23/52/76/653235276.db2.gz HYZKMJPPEQUFCX-MNOVXSKESA-N 1 0 379.452 2.546 20 0 GFADRO CC(C)C[C@H](Nc1nnc(C(F)(F)F)s1)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000631345203 653235399 /nfs/dbraw/zinc/23/53/99/653235399.db2.gz HYZKMJPPEQUFCX-QWRGUYRKSA-N 1 0 379.452 2.546 20 0 GFADRO CN(CCC[N@H+](C)Cc1ccco1)C(=O)c1c(Br)nc2n1CCC2 ZINC000831959160 660739636 /nfs/dbraw/zinc/73/96/36/660739636.db2.gz HFKDTYDEIOOZEW-UHFFFAOYSA-N 1 0 395.301 2.779 20 0 GFADRO O=C(Nc1ccc(-c2ccc(Br)s2)nn1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000632941395 653416144 /nfs/dbraw/zinc/41/61/44/653416144.db2.gz IXLUGRREHNOXQX-IUCAKERBSA-N 1 0 380.271 2.546 20 0 GFADRO CC[NH+](CC)Cc1ccc(C(=O)NCC2(n3cc(Br)cn3)CC2)o1 ZINC000832241246 660767484 /nfs/dbraw/zinc/76/74/84/660767484.db2.gz SLSAKBADCZPDLL-UHFFFAOYSA-N 1 0 395.301 3.000 20 0 GFADRO COc1cc(/C=C/C(=O)N[C@@H]2CCC[C@H]2[NH+](C)C)cc(Br)c1O ZINC000832490666 660782865 /nfs/dbraw/zinc/78/28/65/660782865.db2.gz PPBPXLNSOUWEPZ-GODNBWANSA-N 1 0 383.286 2.775 20 0 GFADRO C[NH+](C)C[C@@]1(O)CCCN(C(=O)CCSc2nc3ccccc3s2)C1 ZINC000834570273 660825476 /nfs/dbraw/zinc/82/54/76/660825476.db2.gz ZQWADCXQUCSCAL-SFHVURJKSA-N 1 0 379.551 2.694 20 0 GFADRO CC1([NH+]2CCC2)CCC(NC(=O)c2cnn3cc(Br)cnc23)CC1 ZINC000834786157 660833133 /nfs/dbraw/zinc/83/31/33/660833133.db2.gz MZPSOQRGCLYTPJ-UHFFFAOYSA-N 1 0 392.301 2.629 20 0 GFADRO COc1ccc2c(c1)[C@@H]([NH2+]CCS(=O)(=O)C1CCOCC1)CCCS2 ZINC000834889462 660837075 /nfs/dbraw/zinc/83/70/75/660837075.db2.gz IPRJUOCTUFMXSB-KRWDZBQOSA-N 1 0 385.551 2.806 20 0 GFADRO C[C@H](CC[S@](C)=O)[NH2+]Cc1nc2c(s1)CN(C(=O)OC(C)(C)C)CC2 ZINC000835043141 660839454 /nfs/dbraw/zinc/83/94/54/660839454.db2.gz NHGPXGHNLZGAFV-YDBLSZJJSA-N 1 0 387.571 2.683 20 0 GFADRO C[NH+](C)CCOc1cc(CNC(=O)NCC[C@@]2(C)CC2(Cl)Cl)ccn1 ZINC000836380521 660902754 /nfs/dbraw/zinc/90/27/54/660902754.db2.gz VJVMDCQITOVMAM-INIZCTEOSA-N 1 0 389.327 2.795 20 0 GFADRO CC[NH+]1CCN(CC(C)(C)NC(=O)Nc2ccc(Br)nc2C)CC1 ZINC000836486567 660910188 /nfs/dbraw/zinc/91/01/88/660910188.db2.gz GIXJTWVUYBFFGB-UHFFFAOYSA-N 1 0 398.349 2.690 20 0 GFADRO OCC[NH2+]C1CCN(Cc2cc(Br)ccc2Br)CC1 ZINC000904384826 663832045 /nfs/dbraw/zinc/83/20/45/663832045.db2.gz OTRITSXXSBGPGC-UHFFFAOYSA-N 1 0 392.135 2.758 20 0 GFADRO O=C(NCCCC[N@H+]1CCC[C@H]1CO)Nc1nc(CC(F)(F)F)cs1 ZINC000836704423 660934058 /nfs/dbraw/zinc/93/40/58/660934058.db2.gz VDNUZKWVJHOYDT-LBPRGKRZSA-N 1 0 380.436 2.606 20 0 GFADRO COCCC[NH+]1CCC(NC(=O)Nc2cc(C)cc(Br)n2)CC1 ZINC000836760613 660939278 /nfs/dbraw/zinc/93/92/78/660939278.db2.gz PZXXKHULHAXBMP-UHFFFAOYSA-N 1 0 385.306 2.775 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)C[N@H+]1CCC[C@@H](C)C1 ZINC000007340600 654469300 /nfs/dbraw/zinc/46/93/00/654469300.db2.gz ISMULCPTFTVARU-CYBMUJFWSA-N 1 0 396.329 2.886 20 0 GFADRO C[C@@H]([NH2+][C@@H](C)C(=O)NC(=O)NCC(F)(F)F)c1ccc(Br)cc1 ZINC000025237898 654547470 /nfs/dbraw/zinc/54/74/70/654547470.db2.gz FMVWPRSXZQJMAA-BDAKNGLRSA-N 1 0 396.207 2.876 20 0 GFADRO C[C@H]1CCCC[N@@H+]1CCCNS(=O)(=O)c1ccccc1Br ZINC000034194186 654609878 /nfs/dbraw/zinc/60/98/78/654609878.db2.gz GOGKXGWLDRROLV-ZDUSSCGKSA-N 1 0 375.332 2.992 20 0 GFADRO CCCS(=O)(=O)N1CCC([NH2+]Cc2cc(Br)cs2)CC1 ZINC000037148528 654614083 /nfs/dbraw/zinc/61/40/83/654614083.db2.gz UZMKRELQJSLFKL-UHFFFAOYSA-N 1 0 381.361 2.804 20 0 GFADRO C[C@@H](CNC(=O)C(=O)Nc1ccccc1Br)[N@@H+]1CCC[C@H](C)C1 ZINC000041651247 654629124 /nfs/dbraw/zinc/62/91/24/654629124.db2.gz NDXPRDWWPNFQQC-STQMWFEESA-N 1 0 382.302 2.624 20 0 GFADRO Cc1ccc(NC(=O)C(=O)NCC[N@H+]2CCC[C@H](C)C2)c(Br)c1 ZINC000041669534 654629302 /nfs/dbraw/zinc/62/93/02/654629302.db2.gz URZXJHLYNZDUQY-ZDUSSCGKSA-N 1 0 382.302 2.544 20 0 GFADRO C[C@@H](SC(=S)N1CCCC1)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000042215403 654636082 /nfs/dbraw/zinc/63/60/82/654636082.db2.gz OGEFGWARZSGQHQ-WBVHZDCISA-N 1 0 377.579 2.880 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CNC(=S)NNC(=S)Nc1ccc(C(C)C)cc1 ZINC000043570864 654649984 /nfs/dbraw/zinc/64/99/84/654649984.db2.gz LFWUVLZAXSHBRZ-INIZCTEOSA-N 1 0 379.599 2.960 20 0 GFADRO O=C(/C=C/c1ccc(I)o1)NC1CC[NH+](C2CC2)CC1 ZINC000044215391 654655037 /nfs/dbraw/zinc/65/50/37/654655037.db2.gz RNJQZWAGTKZESI-GQCTYLIASA-N 1 0 386.233 2.640 20 0 GFADRO CSc1ncc(Cl)c(C(=O)Nc2ccccc2N2CC[NH+](C)CC2)n1 ZINC000044228081 654655522 /nfs/dbraw/zinc/65/55/22/654655522.db2.gz QQEBYOGGQJHIMA-UHFFFAOYSA-N 1 0 377.901 2.856 20 0 GFADRO COCCOCC[NH2+]Cc1cc(Br)c(OC)c(Br)c1 ZINC000044424135 654657796 /nfs/dbraw/zinc/65/77/96/654657796.db2.gz PMFAXBXKDCGSSH-UHFFFAOYSA-N 1 0 397.107 2.973 20 0 GFADRO Cc1nn(-c2cccc(Cl)c2)c(Cl)c1C[NH2+]CCCNS(C)(=O)=O ZINC000044862368 654664095 /nfs/dbraw/zinc/66/40/95/654664095.db2.gz PSNOCLFJGPXKAY-UHFFFAOYSA-N 1 0 391.324 2.516 20 0 GFADRO CC(C)[NH+]1CCN(C(=O)CNC(=O)c2sc3ccccc3c2Cl)CC1 ZINC000045429271 654668267 /nfs/dbraw/zinc/66/82/67/654668267.db2.gz WSNKHXWOWOOEOF-UHFFFAOYSA-N 1 0 379.913 2.837 20 0 GFADRO CC[NH+]1CCC(N(C)C(=O)Cc2cc3c(cc2Br)OCCO3)CC1 ZINC000045907286 654672118 /nfs/dbraw/zinc/67/21/18/654672118.db2.gz WHHDZFCDBGNZSP-UHFFFAOYSA-N 1 0 397.313 2.706 20 0 GFADRO CC1CC[NH+](CCCNC(=O)c2c(Br)nc3n2CCCC3)CC1 ZINC000837318212 660986084 /nfs/dbraw/zinc/98/60/84/660986084.db2.gz XFCKWOOGWDXLEF-UHFFFAOYSA-N 1 0 383.334 2.834 20 0 GFADRO CC[NH+](CC)CCNC(=O)CSc1nncn1-c1ccc(C)c(Cl)c1 ZINC000047439437 654694791 /nfs/dbraw/zinc/69/47/91/654694791.db2.gz BNEXIQUAQIRTHV-UHFFFAOYSA-N 1 0 381.933 2.779 20 0 GFADRO C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)NCC[NH+]1CCC(C)CC1 ZINC000048230771 654704014 /nfs/dbraw/zinc/70/40/14/654704014.db2.gz QUXIYQPAHZGQAL-CYBMUJFWSA-N 1 0 386.323 2.960 20 0 GFADRO CC[N@@H+]1CCC[C@@H](CNC(=O)/C=C/c2ccc(I)o2)C1 ZINC000049520095 654715944 /nfs/dbraw/zinc/71/59/44/654715944.db2.gz BAWBMHOUPVNLPJ-WMADIVHISA-N 1 0 388.249 2.746 20 0 GFADRO COc1ccc(Br)cc1CNC(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000050121035 654717823 /nfs/dbraw/zinc/71/78/23/654717823.db2.gz COVDRFIQVUQWLD-LSDHHAIUSA-N 1 0 382.302 2.884 20 0 GFADRO C[C@H](NS(=O)(=O)c1ccc(Br)cc1Cl)[C@@H]1CCC[NH2+]C1 ZINC000050163281 654718032 /nfs/dbraw/zinc/71/80/32/654718032.db2.gz SMJJRSYAXKMKJU-VHSXEESVSA-N 1 0 381.723 2.769 20 0 GFADRO COCCC[N@H+](C)CCNC(=O)N[C@H](C)Cc1ccccc1Br ZINC000121968668 654726506 /nfs/dbraw/zinc/72/65/06/654726506.db2.gz NTKZPBRCLHRSSU-CQSZACIVSA-N 1 0 386.334 2.648 20 0 GFADRO CC[N@H+](CC(=O)N1CCN(C(=O)c2cccc(Cl)c2Cl)CC1)C1CC1 ZINC000051688524 654727591 /nfs/dbraw/zinc/72/75/91/654727591.db2.gz PUUWBQULLHGCDF-UHFFFAOYSA-N 1 0 384.307 2.762 20 0 GFADRO Cc1ccc(NC(=O)C(=O)NC[C@@H](C)C[NH+]2CCCC2)c(Br)c1 ZINC000122420694 654736276 /nfs/dbraw/zinc/73/62/76/654736276.db2.gz LASNRLRVXVKOQK-CYBMUJFWSA-N 1 0 382.302 2.544 20 0 GFADRO [NH3+][C@H]1CCCN(S(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 ZINC000122426393 654736326 /nfs/dbraw/zinc/73/63/26/654736326.db2.gz OKBAJYUKEUCWNH-JTQLQIEISA-N 1 0 376.322 2.836 20 0 GFADRO Cc1sc(Br)cc1S(=O)(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000122443024 654737311 /nfs/dbraw/zinc/73/73/11/654737311.db2.gz DHDFEGGBJQVHSN-SNVBAGLBSA-N 1 0 381.361 2.829 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)N1CCN(Cc2cccs2)CC1)c1cccs1 ZINC000053529842 654748556 /nfs/dbraw/zinc/74/85/56/654748556.db2.gz MMWUTKMVYDGAHC-MRXNPFEDSA-N 1 0 378.567 2.940 20 0 GFADRO C[C@H]1C[C@@H](N(C)C(=O)c2cc(Br)c3c(c2)OCCO3)CC[N@@H+]1C ZINC000123240750 654753939 /nfs/dbraw/zinc/75/39/39/654753939.db2.gz UFHSRAJROKQDMU-AAEUAGOBSA-N 1 0 383.286 2.775 20 0 GFADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)NC[C@@H]1CCCO1 ZINC000055087523 654768772 /nfs/dbraw/zinc/76/87/72/654768772.db2.gz PEKPYWZWKIPLNJ-INIZCTEOSA-N 1 0 384.318 2.701 20 0 GFADRO COC(=O)N1CCC([NH2+][C@H](C)CC(=O)Nc2ccc(Br)cc2)CC1 ZINC000124057210 654769944 /nfs/dbraw/zinc/76/99/44/654769944.db2.gz IBMNWCOAZSVTHV-GFCCVEGCSA-N 1 0 398.301 2.987 20 0 GFADRO CC[NH+]1CCC(NC(=O)[C@@H]2CC(=O)N(c3cc(Cl)cc(Cl)c3)C2)CC1 ZINC000055165802 654769996 /nfs/dbraw/zinc/76/99/96/654769996.db2.gz MQYYCUVBZVJFQS-GFCCVEGCSA-N 1 0 384.307 2.947 20 0 GFADRO CCC[N@H+](C)C[C@@H]1CCN(Cn2nc(Br)c(=O)c3ccccc32)C1 ZINC000124235647 654772363 /nfs/dbraw/zinc/77/23/63/654772363.db2.gz WZZQTDKHXKSTGZ-AWEZNQCLSA-N 1 0 393.329 2.780 20 0 GFADRO CC[C@@H](C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(CC)CC)c1)[NH+](C)C ZINC000124555706 654778227 /nfs/dbraw/zinc/77/82/27/654778227.db2.gz APNGFIFUVOMSOL-AWEZNQCLSA-N 1 0 375.922 2.649 20 0 GFADRO CC(C)(C)C[C@H]1CCC[N@@H+]1CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl ZINC000124784709 654781106 /nfs/dbraw/zinc/78/11/06/654781106.db2.gz IWEMYEWOHGRASG-GFCCVEGCSA-N 1 0 387.933 2.827 20 0 GFADRO COC(=O)c1sc2ccccc2c1S(=O)(=O)N(C)C1CCC([NH3+])CC1 ZINC000124880957 654783234 /nfs/dbraw/zinc/78/32/34/654783234.db2.gz LNLXIOPZNKTTFJ-UHFFFAOYSA-N 1 0 382.507 2.578 20 0 GFADRO O=C(CC[NH+]1CCC(C(=O)NC2CC2)CC1)Nc1ccc(Br)cc1 ZINC000055912196 654783548 /nfs/dbraw/zinc/78/35/48/654783548.db2.gz NTGWVADADKBBOQ-UHFFFAOYSA-N 1 0 394.313 2.768 20 0 GFADRO CN(C[C@H](O)c1ccccc1Br)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000837594912 661006868 /nfs/dbraw/zinc/00/68/68/661006868.db2.gz ASKJYBSHZCZCNQ-VBQJREDUSA-N 1 0 396.329 2.751 20 0 GFADRO Cc1n[nH]c(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c1Br ZINC000056016010 654786848 /nfs/dbraw/zinc/78/68/48/654786848.db2.gz OYKPQCCKXBKMCL-UHFFFAOYSA-N 1 0 390.285 2.556 20 0 GFADRO CN(C)CC[NH+]1CCC(CNC(=O)c2ccc(Br)cc2F)CC1 ZINC000125337743 654791382 /nfs/dbraw/zinc/79/13/82/654791382.db2.gz AOVDPHGOEZZCRV-UHFFFAOYSA-N 1 0 386.309 2.592 20 0 GFADRO C[C@H](CC[S@@](C)=O)[NH2+]Cc1cc(Br)c2c(c1)OCCCO2 ZINC000125456837 654795104 /nfs/dbraw/zinc/79/51/04/654795104.db2.gz SFFBPZYNLWFZEV-FIKIJFGZSA-N 1 0 376.316 2.857 20 0 GFADRO CN1CC[NH+](CC2CCN(C(=O)c3ccc(Br)s3)CC2)CC1 ZINC000057065750 654799283 /nfs/dbraw/zinc/79/92/83/654799283.db2.gz GUUTVXFVCNOMII-UHFFFAOYSA-N 1 0 386.359 2.610 20 0 GFADRO CNC(=O)c1ccc(C[N@H+](C)[C@H](CO)c2cccc(Br)c2)cc1 ZINC000125627263 654799853 /nfs/dbraw/zinc/79/98/53/654799853.db2.gz XSHKAHFMECFRHM-QGZVFWFLSA-N 1 0 377.282 2.974 20 0 GFADRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)c3c(Br)nc4n3CCCC4)C2)C1 ZINC000837671829 661010727 /nfs/dbraw/zinc/01/07/27/661010727.db2.gz TWBBOVMZGIYHLV-QGZVFWFLSA-N 1 0 381.318 2.540 20 0 GFADRO CC(C)[C@H](C(=O)OCCn1cc(Br)ccc1=O)[NH+]1CCCCC1 ZINC000126246743 654811323 /nfs/dbraw/zinc/81/13/23/654811323.db2.gz ZMQCAALITSDHTE-MRXNPFEDSA-N 1 0 385.302 2.665 20 0 GFADRO C[C@H](CNS(=O)(=O)c1cccc(Br)c1)[N@@H+]1CCC[C@H](C)C1 ZINC000058178732 654816151 /nfs/dbraw/zinc/81/61/51/654816151.db2.gz PIRCRZOSWMSSFB-QWHCGFSZSA-N 1 0 375.332 2.848 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)Nc1ccc(CS(C)(=O)=O)cc1)c1ccsc1 ZINC000058460804 654817880 /nfs/dbraw/zinc/81/78/80/654817880.db2.gz VVCDYIHQYDYNAN-INIZCTEOSA-N 1 0 381.523 2.717 20 0 GFADRO Cc1ccc(S(=O)(=O)NCC[N@H+]2CCCC[C@@H]2C)c(Br)c1 ZINC000058561924 654819875 /nfs/dbraw/zinc/81/98/75/654819875.db2.gz KCGOKSUWTQTISJ-ZDUSSCGKSA-N 1 0 375.332 2.910 20 0 GFADRO O=C(N[C@H]1CC[NH2+]C1)c1nn(-c2cccc(Br)c2)c2c1CCCC2 ZINC000127078881 654824415 /nfs/dbraw/zinc/82/44/15/654824415.db2.gz MNUXBGBYYQLMLQ-ZDUSSCGKSA-N 1 0 389.297 2.605 20 0 GFADRO O[C@@H](CNCc1cc(Br)ccc1OC(F)F)C[NH+]1CCCC1 ZINC000060270324 654827253 /nfs/dbraw/zinc/82/72/53/654827253.db2.gz LUFNSDKAIIWLDX-ZDUSSCGKSA-N 1 0 379.245 2.597 20 0 GFADRO C[C@@H]([NH2+][C@@H](C)CCS(C)(=O)=O)c1ccc(I)cc1 ZINC000127402992 654829048 /nfs/dbraw/zinc/82/90/48/654829048.db2.gz RQQSHMCQYLBTNO-WDEREUQCSA-N 1 0 381.279 2.765 20 0 GFADRO O=C(NCCCC[NH+]1CCOCC1)C1(c2cccc(Br)c2)CC1 ZINC000061609421 654840818 /nfs/dbraw/zinc/84/08/18/654840818.db2.gz KGJOSADSFZISKE-UHFFFAOYSA-N 1 0 381.314 2.709 20 0 GFADRO Cc1cc(Br)ccc1SCC(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000061649993 654841560 /nfs/dbraw/zinc/84/15/60/654841560.db2.gz AHRXUTCZEPXVDI-LSDHHAIUSA-N 1 0 399.354 2.829 20 0 GFADRO CN(C)C(=O)C1CC[NH+](CC(=O)N(C)Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000061761386 654842387 /nfs/dbraw/zinc/84/23/87/654842387.db2.gz DNZBVGKKIZNMMO-UHFFFAOYSA-N 1 0 386.323 2.752 20 0 GFADRO O=C(Nc1cc(Cl)ccc1Cl)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000128456675 654847240 /nfs/dbraw/zinc/84/72/40/654847240.db2.gz SSJYGACLXNBLHZ-UHFFFAOYSA-N 1 0 379.247 2.676 20 0 GFADRO CCC[NH+]1CCC(CNC(=O)C(=O)Nc2ccc(C)cc2Br)CC1 ZINC000128617284 654848779 /nfs/dbraw/zinc/84/87/79/654848779.db2.gz BEGYOXVBNBNAKC-UHFFFAOYSA-N 1 0 396.329 2.934 20 0 GFADRO C[NH+]1CCC(NC(=S)Nc2cccc(I)c2)CC1 ZINC000063142781 654849501 /nfs/dbraw/zinc/84/95/01/654849501.db2.gz PEFXBQYJFSEWHQ-UHFFFAOYSA-N 1 0 375.279 2.672 20 0 GFADRO C[NH+]1CCC(NC(=S)N2CCN(Cc3c(F)cccc3Cl)CC2)CC1 ZINC000063144539 654849822 /nfs/dbraw/zinc/84/98/22/654849822.db2.gz LNBJCJSBEQNXSO-UHFFFAOYSA-N 1 0 384.952 2.565 20 0 GFADRO O=S(=O)(c1ccc(Br)s1)N1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000063189887 654850337 /nfs/dbraw/zinc/85/03/37/654850337.db2.gz ZHGZCFBHPXPXKP-QWRGUYRKSA-N 1 0 379.345 2.806 20 0 GFADRO C[C@@H](CNS(=O)(=O)c1ccc(Br)cc1)[NH+]1CCC(C)CC1 ZINC000063518991 654853893 /nfs/dbraw/zinc/85/38/93/654853893.db2.gz NCAXFAXPFXNQLI-ZDUSSCGKSA-N 1 0 375.332 2.848 20 0 GFADRO COc1ccc(S(=O)(=O)N(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)c(Cl)c1Cl ZINC000266157193 654859829 /nfs/dbraw/zinc/85/98/29/654859829.db2.gz GSTXROOIIJEFAS-WDEREUQCSA-N 1 0 381.325 2.963 20 0 GFADRO CS(=O)(=O)c1cc(C(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)ccc1Cl ZINC000266159867 654860156 /nfs/dbraw/zinc/86/01/56/654860156.db2.gz OWLUSYVGKSKYQD-CQSZACIVSA-N 1 0 384.929 2.692 20 0 GFADRO Cc1nc(C(=O)N2C[C@H]([NH+](C)C)[C@@H](C)C2)nn1-c1c(Cl)cccc1Cl ZINC000266223171 654864411 /nfs/dbraw/zinc/86/44/11/654864411.db2.gz RWGATDSVDCJTAO-HZMBPMFUSA-N 1 0 382.295 2.905 20 0 GFADRO C[C@@H]1C[C@@H](N(C)S(=O)(=O)c2ccc(OCC(F)(F)F)cc2)CC[N@@H+]1C ZINC000266263422 654867070 /nfs/dbraw/zinc/86/70/70/654867070.db2.gz ZYYJOGYRZBWLJI-OLZOCXBDSA-N 1 0 380.432 2.731 20 0 GFADRO O=C(/C=C/c1csc(Br)c1)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000266269692 654867770 /nfs/dbraw/zinc/86/77/70/654867770.db2.gz XDDJYBALNKZIEU-YUKKFKLSSA-N 1 0 385.327 2.705 20 0 GFADRO C[NH+](C)CC1CCC(NC(=O)c2sccc2S(=O)(=O)C(F)F)CC1 ZINC000129903314 654876886 /nfs/dbraw/zinc/87/68/86/654876886.db2.gz KKADGVIGLILQQI-UHFFFAOYSA-N 1 0 380.482 2.595 20 0 GFADRO O=C(NCCc1cc(Br)ccc1F)N1CC[NH+](CC2CC2)CC1 ZINC000065698642 654885126 /nfs/dbraw/zinc/88/51/26/654885126.db2.gz ZHDDAUYFZWNCBN-UHFFFAOYSA-N 1 0 384.293 2.868 20 0 GFADRO Cc1cc(NC(=O)c2cnn(C)c2Br)ccc1OCC[NH+](C)C ZINC000838179871 661031929 /nfs/dbraw/zinc/03/19/29/661031929.db2.gz HQAWFSDHPXXWQS-UHFFFAOYSA-N 1 0 381.274 2.684 20 0 GFADRO Cc1nccc(C(=O)N(CC[NH+](C)C)Cc2ccc(Br)cc2)n1 ZINC000065931840 654890780 /nfs/dbraw/zinc/89/07/80/654890780.db2.gz WPCPSWRBPZOLPY-UHFFFAOYSA-N 1 0 377.286 2.752 20 0 GFADRO CCOCCOc1ccc(Br)cc1C[NH2+]CCc1cnn(C)c1 ZINC000065932599 654890808 /nfs/dbraw/zinc/89/08/08/654890808.db2.gz SRJOKBTVNDPTEB-UHFFFAOYSA-N 1 0 382.302 2.930 20 0 GFADRO COc1ccc(C[NH2+]C[C@H](O)COc2ccccc2Br)cc1O ZINC000130967631 654894513 /nfs/dbraw/zinc/89/45/13/654894513.db2.gz FBZQPEXBTWIDGW-ZDUSSCGKSA-N 1 0 382.254 2.693 20 0 GFADRO C[C@H](Oc1ccccc1Br)C(=O)NCCCC[N@@H+]1CCC[C@@H]1CO ZINC000131387197 654904930 /nfs/dbraw/zinc/90/49/30/654904930.db2.gz YACIZVWRUZCRIU-LSDHHAIUSA-N 1 0 399.329 2.570 20 0 GFADRO Cc1ccc(Br)c(NC(=O)C(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)c1 ZINC000131851350 654919269 /nfs/dbraw/zinc/91/92/69/654919269.db2.gz WEHDYMOSHRKNIY-CQSZACIVSA-N 1 0 396.329 2.933 20 0 GFADRO C[NH+](C)C1CCN(C(=O)c2ccc(S(=O)(=O)c3ccccc3)s2)CC1 ZINC000131949893 654922718 /nfs/dbraw/zinc/92/27/18/654922718.db2.gz QKSSTPBCDAOVQM-UHFFFAOYSA-N 1 0 378.519 2.747 20 0 GFADRO CN(Cc1ccc([S@@](C)=O)cc1)C(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000267374468 654925629 /nfs/dbraw/zinc/92/56/29/654925629.db2.gz UDYITFWKXREGKT-CRICUBBOSA-N 1 0 379.551 2.930 20 0 GFADRO C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)NC[C@@H]1CSCCS1 ZINC000132193462 654928604 /nfs/dbraw/zinc/92/86/04/654928604.db2.gz WKHBVCBBPXIENO-CQSZACIVSA-N 1 0 389.537 2.887 20 0 GFADRO C[NH+](C)C[C@@H]1CCCN1C(=O)Cc1csc(NC(=O)c2cccs2)n1 ZINC000267447694 654928999 /nfs/dbraw/zinc/92/89/99/654928999.db2.gz DPNJYOMUFSMBMZ-ZDUSSCGKSA-N 1 0 378.523 2.552 20 0 GFADRO Cn1cc(Br)cc(NC(=O)N2CCC[N@@H+](C3CCCC3)CC2)c1=O ZINC000267581641 654936031 /nfs/dbraw/zinc/93/60/31/654936031.db2.gz JDEVOVQPMBBSES-UHFFFAOYSA-N 1 0 397.317 2.630 20 0 GFADRO O=C(Cc1cc(F)ccc1Br)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000132500505 654939380 /nfs/dbraw/zinc/93/93/80/654939380.db2.gz GVOBJMYIDZKNAY-CQSZACIVSA-N 1 0 399.304 2.702 20 0 GFADRO CS(=O)(=O)CC[NH2+]Cc1ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc1 ZINC000067505874 654939787 /nfs/dbraw/zinc/93/97/87/654939787.db2.gz HLOXFEWPYCPTLR-LLVKDONJSA-N 1 0 379.322 2.693 20 0 GFADRO CC[NH+](CC)CCNC(=O)N1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000067589307 654941662 /nfs/dbraw/zinc/94/16/62/654941662.db2.gz ZHYZQEYFKAZPTD-MRXNPFEDSA-N 1 0 384.318 2.874 20 0 GFADRO Cn1ncc(Cl)c1C[NH2+]CCOc1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000132564333 654941861 /nfs/dbraw/zinc/94/18/61/654941861.db2.gz ASSQWBGYUWVZFH-UHFFFAOYSA-N 1 0 397.806 2.536 20 0 GFADRO CCO[C@H](CC[NH+](C)C)CNC(=O)CSc1ccc(C(F)(F)F)cn1 ZINC000267915592 654951891 /nfs/dbraw/zinc/95/18/91/654951891.db2.gz CAVOFOZZVYXLIG-CYBMUJFWSA-N 1 0 379.448 2.666 20 0 GFADRO Cn1ncc(C(=O)Nc2ccc(OCC[NH+](C)C)c(F)c2)c1Br ZINC000838287821 661035623 /nfs/dbraw/zinc/03/56/23/661035623.db2.gz DPUNRQKGNPSHDG-UHFFFAOYSA-N 1 0 385.237 2.514 20 0 GFADRO CCN1C(=S)N=NC1[C@H]1CCCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC000268135368 654960197 /nfs/dbraw/zinc/96/01/97/654960197.db2.gz PJADFPLVJZMIPX-ZDUSSCGKSA-N 1 0 379.555 2.730 20 0 GFADRO C[C@@H](NC(=O)C(=O)Nc1cc(Br)ccc1F)C(C)(C)C[NH+](C)C ZINC000133334563 654960771 /nfs/dbraw/zinc/96/07/71/654960771.db2.gz NPPZIPRIHOGOST-SNVBAGLBSA-N 1 0 388.281 2.619 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)N1CCC[C@H]([NH2+]C)C1 ZINC000133372792 654962136 /nfs/dbraw/zinc/96/21/36/654962136.db2.gz NFSMKKIURDWBTQ-GJZGRUSLSA-N 1 0 384.567 2.561 20 0 GFADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C2(c3ccc(Br)cc3)CC2)C1 ZINC000068742198 654966960 /nfs/dbraw/zinc/96/69/60/654966960.db2.gz ALCYRCAFBUHACH-QGZVFWFLSA-N 1 0 395.341 2.954 20 0 GFADRO C[NH+]1CCC(CNC(=O)Nc2cccc(F)c2I)CC1 ZINC000133610869 654968452 /nfs/dbraw/zinc/96/84/52/654968452.db2.gz NUFZYXYJYOCBPU-UHFFFAOYSA-N 1 0 391.228 2.894 20 0 GFADRO CC(C)[NH+]1CCC(O)(CNC(=O)[C@@H](C)Oc2ccc(Br)cc2)CC1 ZINC000268518647 654976191 /nfs/dbraw/zinc/97/61/91/654976191.db2.gz ZMKIRSZBOCXVSZ-CQSZACIVSA-N 1 0 399.329 2.568 20 0 GFADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)c1cc2ccc(Br)cc2[nH]1 ZINC000069526611 654982828 /nfs/dbraw/zinc/98/28/28/654982828.db2.gz CQUCDJZOKMLKHW-AWEZNQCLSA-N 1 0 380.286 2.771 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)N[C@H](C)CN1CC[NH+](C)CC1 ZINC000268732199 654984640 /nfs/dbraw/zinc/98/46/40/654984640.db2.gz RBKRFQLQCNOCCU-CYBMUJFWSA-N 1 0 383.334 2.769 20 0 GFADRO Cc1ccsc1C[NH2+][C@@H](C)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000268822608 654988121 /nfs/dbraw/zinc/98/81/21/654988121.db2.gz SJPDESHZPNNAIO-HNNXBMFYSA-N 1 0 380.535 2.928 20 0 GFADRO Cc1ccc(C[NH2+]C[C@@H](O)COc2ccc(I)cc2)nc1 ZINC000134274549 654989021 /nfs/dbraw/zinc/98/90/21/654989021.db2.gz LUNLNAPHQBEPNU-OAHLLOKOSA-N 1 0 398.244 2.524 20 0 GFADRO O=C(NCc1cccc(Br)c1)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000069933160 654990265 /nfs/dbraw/zinc/99/02/65/654990265.db2.gz AXKNPKXIJDHHFJ-INIZCTEOSA-N 1 0 396.329 2.703 20 0 GFADRO CCN(CCC[NH2+][C@@H]1CCc2c1c(Br)ccc2F)S(C)(=O)=O ZINC000134331974 654991044 /nfs/dbraw/zinc/99/10/44/654991044.db2.gz HGINSCVVJHHVLI-CQSZACIVSA-N 1 0 393.322 2.837 20 0 GFADRO COc1cccc2c1CC[C@@H]2[NH2+]C1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000269032508 654995864 /nfs/dbraw/zinc/99/58/64/654995864.db2.gz URAMQXOYHPTSRJ-AWEZNQCLSA-N 1 0 378.416 2.586 20 0 GFADRO CCC[C@H]([NH3+])C(=O)N1CCC(C(=O)Nc2cccc(Br)c2)CC1 ZINC000269047804 654996045 /nfs/dbraw/zinc/99/60/45/654996045.db2.gz HFRLWAPNUVHACM-HNNXBMFYSA-N 1 0 382.302 2.754 20 0 GFADRO C[C@@H](NC(=O)c1ccn(-c2cccc(Br)c2)n1)[C@@H]1CCC[NH2+]C1 ZINC000269163645 655000422 /nfs/dbraw/zinc/00/04/22/655000422.db2.gz CCEKMYRVXLZSMH-CHWSQXEVSA-N 1 0 377.286 2.753 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000269233840 655002456 /nfs/dbraw/zinc/00/24/56/655002456.db2.gz WFZWSKBUVUSZDI-RRFJBIMHSA-N 1 0 384.567 2.547 20 0 GFADRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)COc1ccc(Cl)cc1Cl ZINC000072051942 655002667 /nfs/dbraw/zinc/00/26/67/655002667.db2.gz GJWGPLPKBIWQQU-CQSZACIVSA-N 1 0 375.296 2.941 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)/C=C/c2cc(Br)c3c(c2)OCCO3)C1 ZINC000269283311 655004024 /nfs/dbraw/zinc/00/40/24/655004024.db2.gz RIDLCCLLTQAKIW-BSWNYTGASA-N 1 0 395.297 2.819 20 0 GFADRO O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)c1cc(Br)c2c(c1)OCCO2 ZINC000078610168 655004989 /nfs/dbraw/zinc/00/49/89/655004989.db2.gz IOGKYTOPRUUDRO-ZDUSSCGKSA-N 1 0 395.297 2.967 20 0 GFADRO CC(C)[NH+]1CCC(N(C)S(=O)(=O)c2ccc3nc(Cl)cnc3c2)CC1 ZINC000269451715 655009636 /nfs/dbraw/zinc/00/96/36/655009636.db2.gz WADJMVBTTSAJTQ-UHFFFAOYSA-N 1 0 382.917 2.777 20 0 GFADRO O=S(=O)(c1ccc2nc(Cl)cnc2c1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000269453304 655010019 /nfs/dbraw/zinc/01/00/19/655010019.db2.gz WDKXSFJSOQZZNC-ZDUSSCGKSA-N 1 0 380.901 2.532 20 0 GFADRO Cn1cc(CNC(=O)NC[C@H](c2ccsc2)[NH+](C)C)c(C(F)(F)F)n1 ZINC000269585597 655014245 /nfs/dbraw/zinc/01/42/45/655014245.db2.gz BDNNLPSGCIGMQU-GFCCVEGCSA-N 1 0 375.420 2.603 20 0 GFADRO CCOc1cc(C[N@@H+]2CCC[C@H]2CSC)nc2nc(C(F)(F)F)nn21 ZINC000135424283 655016219 /nfs/dbraw/zinc/01/62/19/655016219.db2.gz ITIRAOOLDITPAA-NSHDSACASA-N 1 0 375.420 2.869 20 0 GFADRO O=C(CC[N@@H+]1CCOC2(CCOCC2)C1)Nc1cccc(Br)c1 ZINC000135587842 655021662 /nfs/dbraw/zinc/02/16/62/655021662.db2.gz VJZYGKVGJDLTJQ-UHFFFAOYSA-N 1 0 383.286 2.659 20 0 GFADRO Cn1ncc2c1CCC[C@@H]2[N@H+](C)C[C@H](O)COc1ccc(Br)cc1 ZINC000135609654 655022477 /nfs/dbraw/zinc/02/24/77/655022477.db2.gz ZILLMQRWPPTFBG-YOEHRIQHSA-N 1 0 394.313 2.932 20 0 GFADRO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1cnn2cc(Br)cnc12 ZINC000094034043 655026273 /nfs/dbraw/zinc/02/62/73/655026273.db2.gz FZTHQAIUZSWBFT-GFCCVEGCSA-N 1 0 382.306 2.732 20 0 GFADRO Cc1cc(C(=O)N2CCN(CC[NH+]3CCCC3)CC2)ccc1Br ZINC000270121287 655034816 /nfs/dbraw/zinc/03/48/16/655034816.db2.gz KEGFAMBYGBASNN-UHFFFAOYSA-N 1 0 380.330 2.611 20 0 GFADRO C[C@@H]1C[NH+](CCCNC(=O)Cc2cc(F)ccc2Br)C[C@@H](C)O1 ZINC000137120930 655038051 /nfs/dbraw/zinc/03/80/51/655038051.db2.gz SDKMEKUYQHTLTQ-CHWSQXEVSA-N 1 0 387.293 2.746 20 0 GFADRO Cn1cc([C@@H](O)C[C@@H]2CCC[N@@H+]2Cc2cccc(O)c2Br)cn1 ZINC000838866259 661060586 /nfs/dbraw/zinc/06/05/86/661060586.db2.gz ZFTTYZMURRMEDT-HOCLYGCPSA-N 1 0 380.286 2.976 20 0 GFADRO COC(=O)C1CC[NH+](CCCNC(=O)c2cccc(C)c2Br)CC1 ZINC000270252046 655038731 /nfs/dbraw/zinc/03/87/31/655038731.db2.gz SGGDIBHXOFVRGH-UHFFFAOYSA-N 1 0 397.313 2.762 20 0 GFADRO O=C(CC[NH+]1CCN(Cc2ccc(Br)c(F)c2)CC1)N1CCCC1 ZINC000838871609 661060799 /nfs/dbraw/zinc/06/07/99/661060799.db2.gz BWDIGZHUZLLLEQ-UHFFFAOYSA-N 1 0 398.320 2.718 20 0 GFADRO Cc1nn(Cc2cccc(Br)c2)c(C)c1C(=O)NC[C@H]([NH3+])C1CC1 ZINC000137445722 655040398 /nfs/dbraw/zinc/04/03/98/655040398.db2.gz GHOUSNFDRHRLQE-INIZCTEOSA-N 1 0 391.313 2.778 20 0 GFADRO CC1CC[NH+](CC(=O)NCCc2ccc(I)s2)CC1 ZINC000137494293 655040531 /nfs/dbraw/zinc/04/05/31/655040531.db2.gz UOVRZKGBQOJPRU-UHFFFAOYSA-N 1 0 392.306 2.743 20 0 GFADRO C[C@H](C(=O)N1CCC([N@H+](C)CCCO)CC1)c1ccc(Br)s1 ZINC000270393115 655043040 /nfs/dbraw/zinc/04/30/40/655043040.db2.gz SUIUMNSGBYEASM-LBPRGKRZSA-N 1 0 389.359 2.919 20 0 GFADRO O=S(=O)(NC1CC[NH+](CCc2ccncc2)CC1)c1ccccc1Cl ZINC000101578187 655045028 /nfs/dbraw/zinc/04/50/28/655045028.db2.gz BQIPONOYIKBBRO-UHFFFAOYSA-N 1 0 379.913 2.720 20 0 GFADRO NC(=O)[C@H](c1cccc(Br)c1)N1CCC([NH+]2CCCCC2)CC1 ZINC000270803518 655056391 /nfs/dbraw/zinc/05/63/91/655056391.db2.gz UZYOOUQNUUIUDH-KRWDZBQOSA-N 1 0 380.330 2.926 20 0 GFADRO O=c1oc2cc(Br)ccc2n1CN1CCC(n2ccnc2)CC1 ZINC000152087907 655056536 /nfs/dbraw/zinc/05/65/36/655056536.db2.gz UNVDQBWOKBIHGT-UHFFFAOYSA-N 1 0 377.242 2.848 20 0 GFADRO CC(C)C[C@@H](C[NH+](C)C)NC(=O)CSc1nnc(-c2cccs2)n1C ZINC000102637797 655056977 /nfs/dbraw/zinc/05/69/77/655056977.db2.gz ZIQDMRQIHKWGJR-ZDUSSCGKSA-N 1 0 381.571 2.728 20 0 GFADRO O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)c1coc(Br)c1 ZINC000270877348 655058685 /nfs/dbraw/zinc/05/86/85/655058685.db2.gz OYBJKGNZKKJJBC-HOTGVXAUSA-N 1 0 393.281 2.655 20 0 GFADRO C[NH+](C)CCc1ccc(NC(=O)CNC(=O)c2ccc(Br)o2)cc1 ZINC000102791539 655061080 /nfs/dbraw/zinc/06/10/80/655061080.db2.gz OAMCUVKTPMAEFO-UHFFFAOYSA-N 1 0 394.269 2.515 20 0 GFADRO C[C@@H](CBr)CN(C)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000152758441 655061582 /nfs/dbraw/zinc/06/15/82/655061582.db2.gz LKDHRBJGWDWAEJ-CABZTGNLSA-N 1 0 378.108 2.938 20 0 GFADRO CC(C)[N@H+](C)CCCNC(=O)c1ccnc(Cl)c1I ZINC000270970993 655062163 /nfs/dbraw/zinc/06/21/63/655062163.db2.gz HJCXBRABTDSRAF-UHFFFAOYSA-N 1 0 395.672 2.800 20 0 GFADRO COc1ccc(Cl)cc1-c1nn(CN2CC[C@@H](C[NH+](C)C)C2)c(=S)[nH]1 ZINC000153142343 655064861 /nfs/dbraw/zinc/06/48/61/655064861.db2.gz KRQNSQPHMJOKMP-LBPRGKRZSA-N 1 0 381.933 2.737 20 0 GFADRO COc1ccc(Cl)cc1-c1nn(CN2CC[C@H](C[NH+](C)C)C2)c(=S)[nH]1 ZINC000153142401 655064988 /nfs/dbraw/zinc/06/49/88/655064988.db2.gz KRQNSQPHMJOKMP-GFCCVEGCSA-N 1 0 381.933 2.737 20 0 GFADRO O=S(=O)(NC1CC[NH+](C2CC2)CC1)c1cc(Br)c(F)cc1F ZINC000103153080 655067706 /nfs/dbraw/zinc/06/77/06/655067706.db2.gz JMHJGACSGNUEKC-UHFFFAOYSA-N 1 0 395.269 2.632 20 0 GFADRO NC(=O)[C@H]([NH2+][C@H]1CCN(c2ccc(Br)cc2)C1)c1ccc(F)cc1 ZINC000103165059 655068530 /nfs/dbraw/zinc/06/85/30/655068530.db2.gz JBUUKFGFJWULLX-DOTOQJQBSA-N 1 0 392.272 2.983 20 0 GFADRO COc1cc(C[NH2+][C@@H]2CCO[C@H](C)C2)cc(I)c1OC ZINC000271211628 655070702 /nfs/dbraw/zinc/07/07/02/655070702.db2.gz DGGUXUDTZUEMJQ-ZYHUDNBSSA-N 1 0 391.249 2.966 20 0 GFADRO O=C(CC[NH+]1CCN(Cc2cc(Br)ccc2F)CC1)N1CCCC1 ZINC000838982125 661066998 /nfs/dbraw/zinc/06/69/98/661066998.db2.gz YNDSCFWWLMANMP-UHFFFAOYSA-N 1 0 398.320 2.718 20 0 GFADRO O=C(c1nccn2c(Br)cnc12)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000271293868 655074829 /nfs/dbraw/zinc/07/48/29/655074829.db2.gz PVCFCHGCJNWHMN-CYBMUJFWSA-N 1 0 392.301 2.582 20 0 GFADRO COc1ccc2c(c1)[C@@H]([NH2+]C[C@H](O)CS(=O)(=O)c1cccs1)CCC2 ZINC000271535626 655084510 /nfs/dbraw/zinc/08/45/10/655084510.db2.gz RWGDSECGDIYGKR-YOEHRIQHSA-N 1 0 381.519 2.559 20 0 GFADRO COc1ccc(CC[NH2+][C@H](C(N)=O)c2ccc(Br)cc2)cc1OC ZINC000105400048 655092285 /nfs/dbraw/zinc/09/22/85/655092285.db2.gz CIVAXROTCLACBR-KRWDZBQOSA-N 1 0 393.281 2.825 20 0 GFADRO C[C@@H]([NH2+]C[C@@H](c1cccs1)N1CCCC1)c1cccc(S(N)(=O)=O)c1 ZINC000271833472 655096346 /nfs/dbraw/zinc/09/63/46/655096346.db2.gz JQELGNNAHOHYCD-PBHICJAKSA-N 1 0 379.551 2.883 20 0 GFADRO COC(=O)CCCN1CCC([NH2+]Cc2ccc(OC)c(Br)c2)CC1 ZINC000271840392 655096508 /nfs/dbraw/zinc/09/65/08/655096508.db2.gz SXMAHKISZDJSEH-UHFFFAOYSA-N 1 0 399.329 2.965 20 0 GFADRO C[N@H+]1CC=C(CNC(=O)CCC[S@](=O)c2ccc(Br)cc2)CC1 ZINC000271964027 655099562 /nfs/dbraw/zinc/09/95/62/655099562.db2.gz ZFNAHQBTTKMHCE-QHCPKHFHSA-N 1 0 399.354 2.715 20 0 GFADRO COCC[N@@H+](Cc1c(C)nn(C)c1C)C[C@@H](O)c1ccccc1Br ZINC000839125805 661072686 /nfs/dbraw/zinc/07/26/86/661072686.db2.gz MJCIVXRAZMQKIW-GOSISDBHSA-N 1 0 396.329 2.981 20 0 GFADRO Brc1ccc2c(c1)C=C(C[NH2+]C[C@@H]1CN(C3CC3)CCO1)CO2 ZINC000106380406 655107422 /nfs/dbraw/zinc/10/74/22/655107422.db2.gz JMZJPOGFVZBHNT-QGZVFWFLSA-N 1 0 379.298 2.678 20 0 GFADRO CCC[C@@](C)([NH3+])C(=O)N1CCC(C(=O)Nc2ccc(Br)cn2)CC1 ZINC000272332421 655109231 /nfs/dbraw/zinc/10/92/31/655109231.db2.gz NHXGYYPSGRRAPM-QGZVFWFLSA-N 1 0 397.317 2.539 20 0 GFADRO O=C(c1ccn(-c2cccc(Br)c2)n1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000106767648 655110786 /nfs/dbraw/zinc/11/07/86/655110786.db2.gz AQWVJWCBMSCLQV-INIZCTEOSA-N 1 0 389.297 2.945 20 0 GFADRO C[C@H](O)[C@H]1CCCC[N@@H+]1CC(=O)N(C)Cc1cc(Br)cs1 ZINC000106864537 655112654 /nfs/dbraw/zinc/11/26/54/655112654.db2.gz QRJLBRVJTHAVML-SMDDNHRTSA-N 1 0 375.332 2.704 20 0 GFADRO OC[C@H]1CCCC[N@@H+]1C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000159889333 655117294 /nfs/dbraw/zinc/11/72/94/655117294.db2.gz DWPDZPPWKWWJGS-CHWSQXEVSA-N 1 0 378.694 2.689 20 0 GFADRO CCC[C@@H]1CN(Cn2ncc(Br)c2C2CC2)CC[N@@H+]1CCOC ZINC000159831605 655117347 /nfs/dbraw/zinc/11/73/47/655117347.db2.gz BJYUJHANCHBOKX-OAHLLOKOSA-N 1 0 385.350 2.913 20 0 GFADRO C[N@@H+]1CC[C@H]2CCN(C(=O)c3ccn(-c4cccc(Br)c4)n3)[C@H]2C1 ZINC000272657340 655117994 /nfs/dbraw/zinc/11/79/94/655117994.db2.gz QTWBBTKLWUGMTF-GUYCJALGSA-N 1 0 389.297 2.801 20 0 GFADRO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)c2ccc(Br)c(F)c2)CC1 ZINC000107282259 655119559 /nfs/dbraw/zinc/11/95/59/655119559.db2.gz JCFIGCCQDKVYMF-HNNXBMFYSA-N 1 0 398.320 2.830 20 0 GFADRO COc1ccc(C[NH2+][C@H](C)c2cccc(S(N)(=O)=O)c2)cc1Br ZINC000272708215 655119746 /nfs/dbraw/zinc/11/97/46/655119746.db2.gz UUXCONNMTZONQO-LLVKDONJSA-N 1 0 399.310 2.956 20 0 GFADRO C[C@@H](CNC(=O)c1csc(I)c1)C[NH+]1CCCC1 ZINC000107561703 655122394 /nfs/dbraw/zinc/12/23/94/655122394.db2.gz VTCUFSUHIMTPRG-JTQLQIEISA-N 1 0 378.279 2.814 20 0 GFADRO CCOCCOc1ccc(Br)cc1/C=C/C(=O)NC[C@@H]1CC[NH2+]C1 ZINC000273075887 655129628 /nfs/dbraw/zinc/12/96/28/655129628.db2.gz WLXCXMQWHMSVIC-BOTMBNHJSA-N 1 0 397.313 2.603 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)c1sccc1S(=O)(=O)C(F)F)C1CCCCC1 ZINC000108258266 655129856 /nfs/dbraw/zinc/12/98/56/655129856.db2.gz SPPIGIQEQSDLMU-LBPRGKRZSA-N 1 0 394.509 2.985 20 0 GFADRO CC1CC[NH+](CCCCNC(=O)c2sccc2S(=O)(=O)C(F)F)CC1 ZINC000108258811 655129876 /nfs/dbraw/zinc/12/98/76/655129876.db2.gz ASWUFCSDNMKQOB-UHFFFAOYSA-N 1 0 394.509 2.986 20 0 GFADRO C[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(I)c(F)c2)C1 ZINC000108333220 655131315 /nfs/dbraw/zinc/13/13/15/655131315.db2.gz LMEHOBLIMDNQDB-JTQLQIEISA-N 1 0 376.213 2.502 20 0 GFADRO Cn1ncc(C(=O)N(CC[NH+](C)C)Cc2cccc(F)c2)c1Br ZINC000273189379 655134412 /nfs/dbraw/zinc/13/44/12/655134412.db2.gz HUYZMIQMKZWWBP-UHFFFAOYSA-N 1 0 383.265 2.526 20 0 GFADRO COC(=O)C[C@@H](NC(=O)CC1CC[NH+](C)CC1)c1ccc(Br)cc1 ZINC000273217199 655135528 /nfs/dbraw/zinc/13/55/28/655135528.db2.gz MINNXFGIPFFZMI-MRXNPFEDSA-N 1 0 397.313 2.901 20 0 GFADRO O=C([C@H](O)c1cc(Cl)cc(Cl)c1)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000164024718 655136759 /nfs/dbraw/zinc/13/67/59/655136759.db2.gz LGWPDXMGIVSCEW-CXAGYDPISA-N 1 0 387.307 2.598 20 0 GFADRO CC(C)(C)n1cc(C[NH2+]CCNS(C)(=O)=O)c(-c2ccccc2Cl)n1 ZINC000108879622 655138854 /nfs/dbraw/zinc/13/88/54/655138854.db2.gz XWKAIFHRNRHWKI-UHFFFAOYSA-N 1 0 384.933 2.597 20 0 GFADRO CS[C@H]1CN(C(=O)Cc2coc(-c3cccs3)n2)C[C@H]1[NH+]1CCCC1 ZINC000273448788 655143814 /nfs/dbraw/zinc/14/38/14/655143814.db2.gz CEWMUVGPUWFUID-ZBFHGGJFSA-N 1 0 377.535 2.984 20 0 GFADRO CC(C)(C)[C@H]([NH2+]CCCOc1cccc(I)c1)C(N)=O ZINC000109331002 655144840 /nfs/dbraw/zinc/14/48/40/655144840.db2.gz FFXGECQXOLBUNH-CYBMUJFWSA-N 1 0 390.265 2.550 20 0 GFADRO C[NH+]1CCN(c2ccc(NC(=O)c3ccc(Br)cn3)cc2)CC1 ZINC000171189215 655149417 /nfs/dbraw/zinc/14/94/17/655149417.db2.gz MIYVGIGMIVTTEN-UHFFFAOYSA-N 1 0 375.270 2.848 20 0 GFADRO CCO[C@@H]1C[C@H]([NH2+]Cc2cnc3ccc(Br)cn23)[C@@]12CCCO2 ZINC000273599802 655150497 /nfs/dbraw/zinc/15/04/97/655150497.db2.gz LPVCWBYLTLTODD-UXLLHSPISA-N 1 0 380.286 2.913 20 0 GFADRO C[NH+](C)[C@H]1CCCN(C[C@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000109811694 655152407 /nfs/dbraw/zinc/15/24/07/655152407.db2.gz SUHIQWSPLDVETM-KBPBESRZSA-N 1 0 391.737 2.868 20 0 GFADRO O=S(=O)(C(F)F)N1CCC(C[NH2+]Cc2ccccc2OC(F)F)CC1 ZINC000171842203 655154440 /nfs/dbraw/zinc/15/44/40/655154440.db2.gz BCSWNYMCLMTKSH-UHFFFAOYSA-N 1 0 384.395 2.642 20 0 GFADRO O=Cc1ccc(OCC(=O)NCCC[NH+]2CCCCC2)c(Br)c1 ZINC000173118408 655163130 /nfs/dbraw/zinc/16/31/30/655163130.db2.gz VSVXSGCLXRIXAU-UHFFFAOYSA-N 1 0 383.286 2.633 20 0 GFADRO Cc1ccc(S(=O)(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)c(Br)c1 ZINC000173271627 655166297 /nfs/dbraw/zinc/16/62/97/655166297.db2.gz WAYDVMFUWULMNA-OLZOCXBDSA-N 1 0 375.332 2.861 20 0 GFADRO C[C@@H]1C[C@@H](N(C)S(=O)(=O)c2cc(Br)ccc2F)CC[N@@H+]1C ZINC000173274393 655166550 /nfs/dbraw/zinc/16/65/50/655166550.db2.gz LGMBODAUFKIKIX-PWSUYJOCSA-N 1 0 379.295 2.691 20 0 GFADRO Cc1ccccc1C[NH+]1CCC(NC(=O)c2cnn(C)c2Br)CC1 ZINC000274125463 655174288 /nfs/dbraw/zinc/17/42/88/655174288.db2.gz BPUVIISZADUKQJ-UHFFFAOYSA-N 1 0 391.313 2.885 20 0 GFADRO CC[NH+]1CCC(NC(=O)N[C@H]2CCN(c3ccccc3Br)C2)CC1 ZINC000111801998 655177426 /nfs/dbraw/zinc/17/74/26/655177426.db2.gz QJAPSUMSFUQHIN-HNNXBMFYSA-N 1 0 395.345 2.811 20 0 GFADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)c2cc(Br)ccc2C)CC1 ZINC000173719415 655177558 /nfs/dbraw/zinc/17/75/58/655177558.db2.gz FCQDRBFBVCBFRU-AWEZNQCLSA-N 1 0 382.346 2.761 20 0 GFADRO Cc1ccc(Br)cc1C(=O)NCC1CC[NH+](CCN(C)C)CC1 ZINC000173723786 655177886 /nfs/dbraw/zinc/17/78/86/655177886.db2.gz NTEHIDRGPBQWAO-UHFFFAOYSA-N 1 0 382.346 2.761 20 0 GFADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)N(C)Cc1ccc(Br)cc1 ZINC000111867821 655178460 /nfs/dbraw/zinc/17/84/60/655178460.db2.gz MPSLMARQLQFHQU-INIZCTEOSA-N 1 0 384.318 2.701 20 0 GFADRO CCn1cc(C[NH2+]CCC(=O)N(C)Cc2ccccc2Br)cn1 ZINC000112099378 655182356 /nfs/dbraw/zinc/18/23/56/655182356.db2.gz WHWYTPGMKCKWHK-UHFFFAOYSA-N 1 0 379.302 2.804 20 0 GFADRO OC[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1cncc(Br)c1 ZINC000274340732 655185331 /nfs/dbraw/zinc/18/53/31/655185331.db2.gz PQXQLPBWBIHDQF-MJGOQNOKSA-N 1 0 390.325 2.817 20 0 GFADRO C[NH+](C)CCn1ccc(NC(=O)NCc2cc(F)ccc2Br)n1 ZINC000173929973 655186262 /nfs/dbraw/zinc/18/62/62/655186262.db2.gz ZJSNXNQPHYIRDG-UHFFFAOYSA-N 1 0 384.253 2.668 20 0 GFADRO CN(Cc1ccc(Br)s1)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000173947303 655187612 /nfs/dbraw/zinc/18/76/12/655187612.db2.gz UWMIHJDVGWSKFG-UHFFFAOYSA-N 1 0 386.319 2.933 20 0 GFADRO Cc1cc(Br)c(F)cc1NC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000274549826 655192830 /nfs/dbraw/zinc/19/28/30/655192830.db2.gz UQMNPUIYWIJDBQ-UKRRQHHQSA-N 1 0 398.276 2.578 20 0 GFADRO CC[N@H+](CC(=O)NCC(=O)Nc1ccccc1Br)[C@H](C)C(C)C ZINC000112657440 655194533 /nfs/dbraw/zinc/19/45/33/655194533.db2.gz XQXWYTRIWCWPEC-CYBMUJFWSA-N 1 0 384.318 2.870 20 0 GFADRO Cc1ccc(CCC(=O)N[C@H](C)CC[NH+]2CCN(C)CC2)c(Br)c1 ZINC000274654379 655195799 /nfs/dbraw/zinc/19/57/99/655195799.db2.gz DFGNMDVIKYIVCK-MRXNPFEDSA-N 1 0 396.373 2.832 20 0 GFADRO CCC(C)(C)[NH2+][C@@H](C)C(=O)Nc1cc(Cl)ccc1OCCS(C)(=O)=O ZINC000274707746 655198012 /nfs/dbraw/zinc/19/80/12/655198012.db2.gz SEGROBQXCDJQDH-LBPRGKRZSA-N 1 0 390.933 2.869 20 0 GFADRO O=C1CCCN1[C@@H]1CCC[N@@H+](C[C@@H](O)c2ccc(Br)cc2)CC1 ZINC000839665449 661099167 /nfs/dbraw/zinc/09/91/67/661099167.db2.gz IAYWBTXXTPHCPB-IAGOWNOFSA-N 1 0 381.314 2.959 20 0 GFADRO COC[C@@H]1CCC[N@H+](CC(=O)N(C)CCOc2ccc(Br)cc2)C1 ZINC000112989687 655201102 /nfs/dbraw/zinc/20/11/02/655201102.db2.gz WTPJVKFPUGOBBQ-OAHLLOKOSA-N 1 0 399.329 2.645 20 0 GFADRO O=C(NCCCC[N@H+]1CCC[C@H]1CO)Nc1ccc(F)c(Br)c1 ZINC000174422885 655202036 /nfs/dbraw/zinc/20/20/36/655202036.db2.gz ZHMYNHVKZXEUSH-ZDUSSCGKSA-N 1 0 388.281 2.947 20 0 GFADRO CS[C@@H]1CN(C(=O)c2ccc(C)nc2Br)C[C@H]1[NH+]1CCCC1 ZINC000274854026 655204496 /nfs/dbraw/zinc/20/44/96/655204496.db2.gz BJNFZALXRBHBPE-ZIAGYGMSSA-N 1 0 384.343 2.804 20 0 GFADRO C[NH+](C)C1(CNC(=O)c2csc(I)c2)CCCC1 ZINC000113425684 655210348 /nfs/dbraw/zinc/21/03/48/655210348.db2.gz VHKQAGRGEVAMLT-UHFFFAOYSA-N 1 0 378.279 2.957 20 0 GFADRO Cc1c(C(=O)N2CC[C@@H](C[NH+](C)C)C2)cnn1-c1ccc(Br)cc1 ZINC000113455528 655210646 /nfs/dbraw/zinc/21/06/46/655210646.db2.gz UCQJTVBIHGPGBY-AWEZNQCLSA-N 1 0 391.313 2.967 20 0 GFADRO C[NH+](C)C[C@@H]1CCN(C(=O)c2cnn(-c3ccc(Br)cc3)c2)C1 ZINC000113452702 655210727 /nfs/dbraw/zinc/21/07/27/655210727.db2.gz FZBVKUZLFIZEJR-ZDUSSCGKSA-N 1 0 377.286 2.659 20 0 GFADRO CCOC[C@@H](O)C[NH+]1CCN([C@@H](CC)c2ccc(Br)cc2)CC1 ZINC000113502583 655211462 /nfs/dbraw/zinc/21/14/62/655211462.db2.gz IDRFLLCVZIBOIR-ROUUACIJSA-N 1 0 385.346 2.915 20 0 GFADRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)Nc1ccc(Br)cc1 ZINC000113646842 655213277 /nfs/dbraw/zinc/21/32/77/655213277.db2.gz WKQNHDOSWXXYHO-HNNXBMFYSA-N 1 0 382.302 2.768 20 0 GFADRO CC(C)[NH+]1CCC(NC(=O)CN(C)Cc2ccc(Br)cc2)CC1 ZINC000114453808 655224344 /nfs/dbraw/zinc/22/43/44/655224344.db2.gz NMVGBCACZLETGM-UHFFFAOYSA-N 1 0 382.346 2.870 20 0 GFADRO C[NH+](C)Cc1ccsc1C(=O)NCC(F)(F)CNC(=O)OC(C)(C)C ZINC000275249588 655225055 /nfs/dbraw/zinc/22/50/55/655225055.db2.gz MLDZADSRNIMUNE-UHFFFAOYSA-N 1 0 377.457 2.700 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)Cc2nnnn2-c2ccccc2Br)[C@H](C)C1 ZINC000175728272 655226274 /nfs/dbraw/zinc/22/62/74/655226274.db2.gz RQBIVVOZUZWCSW-HIFRSBDPSA-N 1 0 393.333 2.587 20 0 GFADRO CC[N@@H+]1CCCN(C(=O)C(=O)Nc2cccc(C3SCCS3)c2)CC1 ZINC000275274685 655226450 /nfs/dbraw/zinc/22/64/50/655226450.db2.gz RNHQQKHBRDRTPI-UHFFFAOYSA-N 1 0 379.551 2.658 20 0 GFADRO CN(C(=O)CNC(=O)c1sc2ccccc2c1Cl)[C@@H]1CCC[N@H+](C)C1 ZINC000175839418 655228199 /nfs/dbraw/zinc/22/81/99/655228199.db2.gz RWNGMGQFGOJHHQ-GFCCVEGCSA-N 1 0 379.913 2.837 20 0 GFADRO O=S(=O)(Cc1ccc(Cl)nc1)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000114742498 655228228 /nfs/dbraw/zinc/22/82/28/655228228.db2.gz DPRXKLQXYQLAIU-QGZVFWFLSA-N 1 0 379.913 2.819 20 0 GFADRO Cn1cc([C@H]2OCCC[C@@H]2[NH2+]Cc2cc3c(cc2Br)OCO3)cn1 ZINC000275356204 655231639 /nfs/dbraw/zinc/23/16/39/655231639.db2.gz AMCGAYSYRUELST-WMLDXEAASA-N 1 0 394.269 2.921 20 0 GFADRO CC[NH+]1CCN([C@H](C)CNC(=O)CCc2ccc(Br)c(C)c2)CC1 ZINC000176069347 655233531 /nfs/dbraw/zinc/23/35/31/655233531.db2.gz FCGTVABASXYDIR-MRXNPFEDSA-N 1 0 396.373 2.832 20 0 GFADRO CC1CC[NH+]([C@@H](CNC(=O)NC[C@@]2(O)CCSC2)c2cccs2)CC1 ZINC000176150558 655237422 /nfs/dbraw/zinc/23/74/22/655237422.db2.gz GZOXWOAUGOTYOQ-YJBOKZPZSA-N 1 0 383.583 2.688 20 0 GFADRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)/C=C/c1ccc(I)o1 ZINC000115443829 655237674 /nfs/dbraw/zinc/23/76/74/655237674.db2.gz JKJQUYWKFWTWSB-WMADIVHISA-N 1 0 388.249 2.698 20 0 GFADRO CC1(C)C[N@H+](C[C@@H](O)COc2ccc(Cl)cc2Br)CC[C@H]1O ZINC000275507221 655239324 /nfs/dbraw/zinc/23/93/24/655239324.db2.gz SBNOPJOOMHXBCI-IUODEOHRSA-N 1 0 392.721 2.935 20 0 GFADRO C[NH+](C)CCc1ccccc1NC(=O)C(=O)NCCc1ccc(Cl)s1 ZINC000275515877 655239634 /nfs/dbraw/zinc/23/96/34/655239634.db2.gz DJMAUVQDUGENCT-UHFFFAOYSA-N 1 0 379.913 2.803 20 0 GFADRO Cc1cc(Br)c(NC(=O)NC[C@H]2C[N@@H+](C)CCN2C)cc1Cl ZINC000275574442 655242749 /nfs/dbraw/zinc/24/27/49/655242749.db2.gz DZLVGJLCQIDXDA-NSHDSACASA-N 1 0 389.725 2.778 20 0 GFADRO CC1CC[NH+](C[C@H](O)CNC(=O)c2cc(Cl)ccc2Br)CC1 ZINC000116451405 655247873 /nfs/dbraw/zinc/24/78/73/655247873.db2.gz CJCPLCHBOVWPCN-CYBMUJFWSA-N 1 0 389.721 2.925 20 0 GFADRO CS[C@H]1CN(C(=O)c2cc(Br)ncc2Cl)C[C@H]1[NH+](C)C ZINC000275756595 655249872 /nfs/dbraw/zinc/24/98/72/655249872.db2.gz UYDMTWDNLPVKFZ-MNOVXSKESA-N 1 0 378.723 2.615 20 0 GFADRO C[NH+]1CCC(n2ccc(NC(=O)C(=O)c3ccc(Br)s3)n2)CC1 ZINC000839748311 661104205 /nfs/dbraw/zinc/10/42/05/661104205.db2.gz ZUARAYGTBLNDIB-UHFFFAOYSA-N 1 0 397.298 2.795 20 0 GFADRO Cc1cc(S(=O)(=O)NC2CC[NH+](C3CC3)CC2)c(C)cc1Br ZINC000116897552 655255682 /nfs/dbraw/zinc/25/56/82/655255682.db2.gz GBTLWDJZEUCLOO-UHFFFAOYSA-N 1 0 387.343 2.971 20 0 GFADRO Cc1cc(S(=O)(=O)NC[C@@H]2CCC[N@@H+](C)C2)c(C)cc1Br ZINC000116898162 655255973 /nfs/dbraw/zinc/25/59/73/655255973.db2.gz WACNFRWLXONKJV-ZDUSSCGKSA-N 1 0 375.332 2.686 20 0 GFADRO CC(=O)N1CCN(CC[NH2+][C@@H](c2ccc(Br)s2)C2CC2)CC1 ZINC000275961228 655256806 /nfs/dbraw/zinc/25/68/06/655256806.db2.gz VUROYONBCBDISD-MRXNPFEDSA-N 1 0 386.359 2.715 20 0 GFADRO NC(=O)[C@H]1CCCN1CCC[NH2+][C@H](c1ccc(Br)s1)C1CC1 ZINC000275973702 655257142 /nfs/dbraw/zinc/25/71/42/655257142.db2.gz XHYDXHNNEWWELL-DOMZBBRYSA-N 1 0 386.359 2.891 20 0 GFADRO CCO[C@@H](CC[NH+](C)C)CNC(=O)[C@@H](C)Oc1ccccc1Br ZINC000176911186 655260788 /nfs/dbraw/zinc/26/07/88/655260788.db2.gz SPTVIJZPASDGIR-KGLIPLIRSA-N 1 0 387.318 2.689 20 0 GFADRO Cn1cc([C@H](O)C[NH2+][C@@H](c2cccc(Br)c2)C2CCOCC2)cn1 ZINC000276083666 655261440 /nfs/dbraw/zinc/26/14/40/655261440.db2.gz BPQUJOBRNAIGNQ-QZTJIDSGSA-N 1 0 394.313 2.974 20 0 GFADRO Cc1nc2c(s1)[C@@H]([N@H+](C)CCC(=O)NC(=O)NCC(F)(F)F)CCC2 ZINC000177069147 655267005 /nfs/dbraw/zinc/26/70/05/655267005.db2.gz OMEZDUGLBCHTFA-NSHDSACASA-N 1 0 378.420 2.539 20 0 GFADRO O=C(CC[N@@H+]1CCSC[C@H]1c1ccccc1)NC(=O)NCC(F)(F)F ZINC000177080005 655267415 /nfs/dbraw/zinc/26/74/15/655267415.db2.gz ZVNGDFBPMUJXSL-ZDUSSCGKSA-N 1 0 375.416 2.555 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)/C=C/c2ccc(I)o2)C[N@@H+]1C1CC1 ZINC000177082684 655267441 /nfs/dbraw/zinc/26/74/41/655267441.db2.gz XCNBHYWNVFOAEC-HQVCXTMKSA-N 1 0 386.233 2.639 20 0 GFADRO CN(C(=O)c1nn(-c2ccc(F)cc2)cc1Br)C1CC[NH+](C)CC1 ZINC000117741637 655267637 /nfs/dbraw/zinc/26/76/37/655267637.db2.gz MCDUQESYGGJKER-UHFFFAOYSA-N 1 0 395.276 2.940 20 0 GFADRO CCN(CCC[NH+](C)C)C(=O)NCc1cn2cc(Br)cc(C)c2n1 ZINC000276338542 655271748 /nfs/dbraw/zinc/27/17/48/655271748.db2.gz SAXDWCHLDVLYBE-UHFFFAOYSA-N 1 0 396.333 2.888 20 0 GFADRO Cc1ccc(Br)nc1C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000276387165 655273617 /nfs/dbraw/zinc/27/36/17/655273617.db2.gz QVZQUBNIUNMLRJ-UHFFFAOYSA-N 1 0 382.302 2.527 20 0 GFADRO Cn1cncc1C[NH2+]CC(C)(C)S(=O)(=O)c1ccc(Br)cc1 ZINC000118455096 655276549 /nfs/dbraw/zinc/27/65/49/655276549.db2.gz SIGYPYSGXANZHD-UHFFFAOYSA-N 1 0 386.315 2.525 20 0 GFADRO Cn1cc(C[NH2+]CC(C)(C)S(=O)(=O)c2ccc(Br)cc2)cn1 ZINC000118455127 655276560 /nfs/dbraw/zinc/27/65/60/655276560.db2.gz FIJLRUIGFHMVRY-UHFFFAOYSA-N 1 0 386.315 2.525 20 0 GFADRO Cc1csc(C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@@H]2C)c1I ZINC000276523164 655278243 /nfs/dbraw/zinc/27/82/43/655278243.db2.gz MKWLHFSEXAOWLW-GZMMTYOYSA-N 1 0 390.290 2.874 20 0 GFADRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)c2ccc(S(=O)(=O)C(F)(F)F)cc2)C1 ZINC000177519112 655279142 /nfs/dbraw/zinc/27/91/42/655279142.db2.gz GDNPTCAVPUWUFF-STQMWFEESA-N 1 0 378.416 2.583 20 0 GFADRO CC[NH+](CC)[C@H]1CCN(C(=O)c2cc(=O)[nH]c3c(Br)cccc23)C1 ZINC000177649332 655285045 /nfs/dbraw/zinc/28/50/45/655285045.db2.gz IFCOOSVJLAGLMQ-LBPRGKRZSA-N 1 0 392.297 2.847 20 0 GFADRO C[C@H](C(=O)Nc1ccc(Br)cc1)N1CC[NH+](C2CCOCC2)CC1 ZINC000177755903 655287495 /nfs/dbraw/zinc/28/74/95/655287495.db2.gz YJAPGYGRSYSKCU-CQSZACIVSA-N 1 0 396.329 2.573 20 0 GFADRO CCS(=O)(=O)NCC[NH2+][C@H](C)c1sc(-c2ccc(OC)cc2)nc1C ZINC000177804383 655288754 /nfs/dbraw/zinc/28/87/54/655288754.db2.gz NHKZEQBBOTWIRV-GFCCVEGCSA-N 1 0 383.539 2.717 20 0 GFADRO CN(C[C@H](O)c1cccc(Br)c1)C(=O)Cn1cnc2c1CCCC2 ZINC000839826760 661111407 /nfs/dbraw/zinc/11/14/07/661111407.db2.gz UITRFFUCHVYRGA-KRWDZBQOSA-N 1 0 392.297 2.716 20 0 GFADRO CC(C)S(=O)(=O)CCC[NH2+][C@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000276923252 655293359 /nfs/dbraw/zinc/29/33/59/655293359.db2.gz LHQQERATFUQHPD-DOTOQJQBSA-N 1 0 390.908 2.554 20 0 GFADRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1cc(Br)nn1C ZINC000276934296 655293846 /nfs/dbraw/zinc/29/38/46/655293846.db2.gz ACGOOQJMVWHNNY-DZGCQCFKSA-N 1 0 391.313 2.823 20 0 GFADRO COc1ccc2c(c1)[C@H]([NH2+]CCNS(=O)(=O)c1cccc(Cl)c1)CC2 ZINC000178003755 655294791 /nfs/dbraw/zinc/29/47/91/655294791.db2.gz LCMQYOZPNXDWOR-GOSISDBHSA-N 1 0 380.897 2.904 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(F)cc2Br)C1 ZINC000178006004 655295165 /nfs/dbraw/zinc/29/51/65/655295165.db2.gz KDATWLNKBKJIBZ-VXGBXAGGSA-N 1 0 386.265 2.516 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)Nc2nc(-c3cccs3)cs2)C1 ZINC000178013516 655295270 /nfs/dbraw/zinc/29/52/70/655295270.db2.gz XFCXJKNTXLRCRR-NWDGAFQWSA-N 1 0 378.523 2.799 20 0 GFADRO CC[NH+]1CCC(NS(=O)(=O)c2cccc(Cl)c2Br)CC1 ZINC000276976180 655296185 /nfs/dbraw/zinc/29/61/85/655296185.db2.gz XTWHUOCBVAVNSY-UHFFFAOYSA-N 1 0 381.723 2.865 20 0 GFADRO CC(C)(C)[C@H]([NH3+])C(=O)N[C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000119322421 655298628 /nfs/dbraw/zinc/29/86/28/655298628.db2.gz GKCAJOZANVUVPO-CMPLNLGQSA-N 1 0 378.826 2.822 20 0 GFADRO NC(=O)c1csc(C[NH2+]C[C@H](CO)Cc2cccc(Br)c2)c1 ZINC000277028945 655299182 /nfs/dbraw/zinc/29/91/82/655299182.db2.gz NRHMQORGDAXBBK-GFCCVEGCSA-N 1 0 383.311 2.550 20 0 GFADRO C[NH+](C)CCCNC(=O)C(=O)Nc1ccc2cc(Br)ccc2c1 ZINC000178409469 655303004 /nfs/dbraw/zinc/30/30/04/655303004.db2.gz VVZFYLKYPMROSY-UHFFFAOYSA-N 1 0 378.270 2.609 20 0 GFADRO C[C@@](O)(CNC(=O)NCC1([NH+]2CCSCC2)CCCC1)c1cccs1 ZINC000119438069 655303915 /nfs/dbraw/zinc/30/39/15/655303915.db2.gz GPYGEQCWJWPANM-QGZVFWFLSA-N 1 0 383.583 2.616 20 0 GFADRO O=C(c1cc(Cl)cc(Br)c1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000178583747 655305124 /nfs/dbraw/zinc/30/51/24/655305124.db2.gz KQKHDRCBZLCKSG-LBPRGKRZSA-N 1 0 387.705 2.897 20 0 GFADRO [NH3+]C[C@@H]1CCN(C(=O)c2nn(-c3cccc(Br)c3)c3c2CCC3)C1 ZINC000178591393 655305523 /nfs/dbraw/zinc/30/55/23/655305523.db2.gz KMOFJJNRDLGCMC-LBPRGKRZSA-N 1 0 389.297 2.544 20 0 GFADRO C[C@H]([NH3+])CCNC(=O)c1cccc(NC(=O)c2ccc(Br)o2)c1 ZINC000178627681 655306289 /nfs/dbraw/zinc/30/62/89/655306289.db2.gz GXWABBMNEGTNQK-JTQLQIEISA-N 1 0 380.242 2.762 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2ccccc2Br)[C@H](C)C1 ZINC000119704380 655311671 /nfs/dbraw/zinc/31/16/71/655311671.db2.gz VVGAQTXIEWBEGJ-IUODEOHRSA-N 1 0 382.302 2.576 20 0 GFADRO C[C@@H]1C[N@H+](CCCNC(=O)N(C)Cc2ccc(Br)o2)CCCO1 ZINC000277325376 655313095 /nfs/dbraw/zinc/31/30/95/655313095.db2.gz CMUVCWPWURJCFO-CYBMUJFWSA-N 1 0 388.306 2.684 20 0 GFADRO CCC[NH+]1CCC(NC(=O)C(=O)Nc2cc(F)ccc2Br)CC1 ZINC000119762427 655314199 /nfs/dbraw/zinc/31/41/99/655314199.db2.gz CYJYLXWQVDUYQE-UHFFFAOYSA-N 1 0 386.265 2.517 20 0 GFADRO Cc1c(Br)cc(C(=O)NCCCC[NH+]2CCC(C)CC2)c(=O)n1C ZINC000277365226 655314981 /nfs/dbraw/zinc/31/49/81/655314981.db2.gz HGSCYWMGVBTGFX-UHFFFAOYSA-N 1 0 398.345 2.698 20 0 GFADRO CC(=O)N[C@H](CC(=O)NCC(C)(C)C[NH+](C)C)c1ccc(Br)cc1 ZINC000119786342 655315143 /nfs/dbraw/zinc/31/51/43/655315143.db2.gz TXRPMRUZSCUZID-MRXNPFEDSA-N 1 0 398.345 2.720 20 0 GFADRO C[NH+](C)[C@H]1CCCN(C(=O)c2cc(I)ccc2O)CC1 ZINC000277407873 655317634 /nfs/dbraw/zinc/31/76/34/655317634.db2.gz ZAORBDFATOQCKL-LBPRGKRZSA-N 1 0 388.249 2.553 20 0 GFADRO C[N@H+](CCO)C1CCN(C(=O)Nc2c(F)cc(F)cc2Br)CC1 ZINC000277411670 655318108 /nfs/dbraw/zinc/31/81/08/655318108.db2.gz LTKWSJOVUDZPHO-UHFFFAOYSA-N 1 0 392.244 2.648 20 0 GFADRO Cc1cc(S(=O)(=O)NCC2CCN(c3cc[nH+]cc3)CC2)cnc1Cl ZINC000180198128 655323736 /nfs/dbraw/zinc/32/37/36/655323736.db2.gz QFBHKBYGZOKUBG-UHFFFAOYSA-N 1 0 380.901 2.633 20 0 GFADRO C[C@H]1C[N@@H+](C2CCN(C(=O)Nc3cccnc3Br)CC2)CCO1 ZINC000120057951 655326111 /nfs/dbraw/zinc/32/61/11/655326111.db2.gz QHWHHODAOICYTI-LBPRGKRZSA-N 1 0 383.290 2.561 20 0 GFADRO COC(=O)CC[N@H+](Cc1ccc(Br)c(F)c1)CC(OC)OC ZINC000180604141 655328697 /nfs/dbraw/zinc/32/86/97/655328697.db2.gz MMNJRCZFNQFGQA-UHFFFAOYSA-N 1 0 378.238 2.572 20 0 GFADRO COc1cc(C[NH2+][C@@]2(C)CCOC2)cc(I)c1OC ZINC000120139938 655329043 /nfs/dbraw/zinc/32/90/43/655329043.db2.gz YMEDUQBLVLPMSW-AWEZNQCLSA-N 1 0 377.222 2.577 20 0 GFADRO CNC(=O)C[C@H](C)[NH2+][C@@H](CO)c1ccc(Br)cc1C(F)(F)F ZINC000280981264 655331390 /nfs/dbraw/zinc/33/13/90/655331390.db2.gz MAWGQWUUIGGQQV-UFBFGSQYSA-N 1 0 383.208 2.616 20 0 GFADRO COCCC(C)(C)C[NH2+][C@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000281136119 655332668 /nfs/dbraw/zinc/33/26/68/655332668.db2.gz NXFGCSWRKYTISZ-LLVKDONJSA-N 1 0 393.347 2.810 20 0 GFADRO CC(C)(COc1ncccc1Br)[NH2+]Cc1cccc(C(N)=O)c1 ZINC000120449659 655336224 /nfs/dbraw/zinc/33/62/24/655336224.db2.gz KXRYLHVTFODBIQ-UHFFFAOYSA-N 1 0 378.270 2.890 20 0 GFADRO COc1ccc([C@H](C)[NH2+]CC(=O)N2C[C@@H](C)O[C@H](C)C2)cc1Br ZINC000120611985 655340450 /nfs/dbraw/zinc/34/04/50/655340450.db2.gz DZNCOAQHEOJEAC-UPJWGTAASA-N 1 0 385.302 2.744 20 0 GFADRO Cc1cccc(NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c1Br ZINC000120620161 655340644 /nfs/dbraw/zinc/34/06/44/655340644.db2.gz ZMVFTWQYSCSQFE-CHWSQXEVSA-N 1 0 382.302 2.637 20 0 GFADRO C[C@@H](NC(=O)N[C@@H](CO)c1cccc(Br)c1)C(C)(C)C[NH+](C)C ZINC000120618615 655340689 /nfs/dbraw/zinc/34/06/89/655340689.db2.gz DUARZIYLYASCFK-DOMZBBRYSA-N 1 0 386.334 2.758 20 0 GFADRO C[C@@H](Cn1cc(Br)cn1)[NH2+]C[C@@H](c1ccccc1)N1CCOCC1 ZINC000120642343 655340920 /nfs/dbraw/zinc/34/09/20/655340920.db2.gz XTUZPAWEYVGJHS-YJBOKZPZSA-N 1 0 393.329 2.697 20 0 GFADRO O=C(NCC1CC[NH2+]CC1)c1ccc(Cl)c(I)c1 ZINC000120660607 655341599 /nfs/dbraw/zinc/34/15/99/655341599.db2.gz MBKOQIPOAYHVDP-UHFFFAOYSA-N 1 0 378.641 2.674 20 0 GFADRO CCO[C@H]1C[C@@H]([NH2+]CC2CCN(S(=O)(=O)C(F)F)CC2)C1(CC)CC ZINC000181953172 655341662 /nfs/dbraw/zinc/34/16/62/655341662.db2.gz HRUWNJWLLAHSHW-CABCVRRESA-N 1 0 382.517 2.824 20 0 GFADRO Cc1nn(-c2ccccn2)c(C)c1C[N@H+](C)CCn1cc(Br)cn1 ZINC000289245284 655344868 /nfs/dbraw/zinc/34/48/68/655344868.db2.gz ARFVZAWBEZKNDU-UHFFFAOYSA-N 1 0 389.301 2.975 20 0 GFADRO C[NH+](C)C[C@H]1CCN(CN2CC[C@H](c3cccc(Br)c3)C2=O)C1 ZINC000840002091 661123191 /nfs/dbraw/zinc/12/31/91/661123191.db2.gz BCVPUUANVVDDBX-RHSMWYFYSA-N 1 0 380.330 2.606 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)CCn1cc(Br)ccc1=O)C1CCCCC1 ZINC000120900064 655346482 /nfs/dbraw/zinc/34/64/82/655346482.db2.gz VCGHZPJQCWVPBV-MRXNPFEDSA-N 1 0 398.345 2.628 20 0 GFADRO CN(C)S(=O)(=O)c1cccc(C[NH2+][C@H](c2cccs2)C(C)(C)CO)c1 ZINC000289357290 655347503 /nfs/dbraw/zinc/34/75/03/655347503.db2.gz NTHZRMLICYHXBH-QGZVFWFLSA-N 1 0 382.551 2.848 20 0 GFADRO COc1cc(Br)cc(C[N@@H+]2CCOCC3(CCOCC3)C2)c1O ZINC000183271479 655350123 /nfs/dbraw/zinc/35/01/23/655350123.db2.gz JNEFCWSVCVBCGJ-UHFFFAOYSA-N 1 0 386.286 2.792 20 0 GFADRO COc1ccc(C(=O)NC[C@@H]2CCC[N@H+](CC(C)C)C2)nc1Br ZINC000183297829 655350435 /nfs/dbraw/zinc/35/04/35/655350435.db2.gz ZTWONUYCYXOAGU-ZDUSSCGKSA-N 1 0 384.318 2.951 20 0 GFADRO CC[NH+](CC)Cc1cccc(CNC(=O)c2nn(C)cc2Br)c1 ZINC000292706456 655353560 /nfs/dbraw/zinc/35/35/60/655353560.db2.gz REGMXOOPECLGAO-UHFFFAOYSA-N 1 0 379.302 2.954 20 0 GFADRO CCOC(=O)N1CC[C@@H]([NH2+][C@H](C)CC(=O)Nc2cccc(Br)c2)C1 ZINC000186451936 655369627 /nfs/dbraw/zinc/36/96/27/655369627.db2.gz JLSUHGZMMVSVSB-IUODEOHRSA-N 1 0 398.301 2.987 20 0 GFADRO CCO[C@H]1C[C@](CO)([NH2+]Cc2cc(Br)cc(OC)c2O)C1(C)C ZINC000186577712 655370206 /nfs/dbraw/zinc/37/02/06/655370206.db2.gz WXEPUHLPDLHWOR-WMLDXEAASA-N 1 0 388.302 2.819 20 0 GFADRO CCC[C@@H](C[NH2+][C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1)OC ZINC000297409229 655370541 /nfs/dbraw/zinc/37/05/41/655370541.db2.gz TVBIYDNDSIRKDD-JQWIXIFHSA-N 1 0 379.320 2.562 20 0 GFADRO CN(Cc1cnc(Br)s1)C1CC[NH+](CCn2cccn2)CC1 ZINC000297671755 655371226 /nfs/dbraw/zinc/37/12/26/655371226.db2.gz ZUDCZCGBKZKJFQ-UHFFFAOYSA-N 1 0 384.347 2.699 20 0 GFADRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)N(C)Cc1cc(Cl)cc(Cl)c1 ZINC000298124005 655372498 /nfs/dbraw/zinc/37/24/98/655372498.db2.gz WVIMNAMWHDRIJS-LRDDRELGSA-N 1 0 386.323 2.750 20 0 GFADRO NC(=O)CN(Cc1ccccc1)C[C@H](O)c1ccc(F)c(Br)c1 ZINC000187027747 655372496 /nfs/dbraw/zinc/37/24/96/655372496.db2.gz GINVJQLNUYBGJR-INIZCTEOSA-N 1 0 381.245 2.609 20 0 GFADRO C[C@@](O)(CC[NH2+][C@@H](C(N)=O)c1ccc(Br)cc1)c1ccccc1 ZINC000187668707 655376070 /nfs/dbraw/zinc/37/60/70/655376070.db2.gz ZTDNQYJCRYRAKS-SJLPKXTDSA-N 1 0 377.282 2.863 20 0 GFADRO CC[N@H+](CCCN1C(=O)CS/C1=C\C(=O)OC)[C@H](C)Cc1ccsc1 ZINC000187776470 655376554 /nfs/dbraw/zinc/37/65/54/655376554.db2.gz FEUPUEGTWNJQAN-RQNDZEIBSA-N 1 0 382.551 2.981 20 0 GFADRO O=C(NC1(c2ccc(Br)cc2)CCC1)c1[nH]nc2c1C[NH2+]CC2 ZINC000188409295 655379807 /nfs/dbraw/zinc/37/98/07/655379807.db2.gz PMSZZDYEHBQXNJ-UHFFFAOYSA-N 1 0 375.270 2.627 20 0 GFADRO C[NH+](C)CC(C)(C)CNc1cnn(CC(F)(F)F)c(=O)c1Br ZINC000317618458 655380890 /nfs/dbraw/zinc/38/08/90/655380890.db2.gz FIQWRQYKVUCDRJ-UHFFFAOYSA-N 1 0 385.228 2.568 20 0 GFADRO NS(=O)(=O)c1cccc(C[NH2+][C@H]2CCc3c2cccc3Br)c1 ZINC000319748871 655381912 /nfs/dbraw/zinc/38/19/12/655381912.db2.gz RRKXPTPKLLLEHG-INIZCTEOSA-N 1 0 381.295 2.874 20 0 GFADRO CC[N@@H+]1CCCN(S(=O)(=O)c2cc(Br)cnc2Cl)[C@@H](C)C1 ZINC000320402060 655382267 /nfs/dbraw/zinc/38/22/67/655382267.db2.gz VJKLXQSFBDRCRB-JTQLQIEISA-N 1 0 396.738 2.602 20 0 GFADRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1Cn1ncc2c1cccc2Br ZINC000188852749 655382430 /nfs/dbraw/zinc/38/24/30/655382430.db2.gz IXSVDYGFLFWZCT-CYBMUJFWSA-N 1 0 381.318 2.533 20 0 GFADRO C[C@H]1CN(C(=O)c2cnn(C)c2Br)CC[N@H+](Cc2ccccc2)C1 ZINC000324053519 655384050 /nfs/dbraw/zinc/38/40/50/655384050.db2.gz VDTGLFBYNCYHDX-CQSZACIVSA-N 1 0 391.313 2.777 20 0 GFADRO C[N@H+](CCCNS(=O)(=O)c1c(Cl)nc2sccn21)C1CCCCC1 ZINC000324534579 655384237 /nfs/dbraw/zinc/38/42/37/655384237.db2.gz IDZIASWRXRQYQD-UHFFFAOYSA-N 1 0 390.962 2.982 20 0 GFADRO C[NH+](C)Cc1ccccc1CNS(=O)(=O)c1c(Cl)nc2sccn21 ZINC000325132184 655384531 /nfs/dbraw/zinc/38/45/31/655384531.db2.gz MJQHKGHKZGSIDQ-UHFFFAOYSA-N 1 0 384.914 2.589 20 0 GFADRO C[C@H]1CCC[C@@](CNC(=O)c2cc([N+](=O)[O-])ncc2Br)([NH+](C)C)C1 ZINC000326424598 655385044 /nfs/dbraw/zinc/38/50/44/655385044.db2.gz RWQZYHFXPNZHPF-MEDUHNTESA-N 1 0 399.289 2.993 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)NOCc2ccc(F)cc2Br)C[N@@H+]1C1CC1 ZINC000189220379 655385484 /nfs/dbraw/zinc/38/54/84/655385484.db2.gz IINYTTWFJVGWJU-MFKMUULPSA-N 1 0 386.265 2.944 20 0 GFADRO O=C1N[C@H](c2ccc(Br)cc2)C(=O)N1C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000349228406 655388701 /nfs/dbraw/zinc/38/87/01/655388701.db2.gz WTJJTNZEBGZKQC-IAQYHMDHSA-N 1 0 378.270 2.526 20 0 GFADRO C[N@@H+]1CC[C@H](CNS(=O)(=O)C[C@@H]2CCCCO2)[C@H]1c1cccc(Cl)c1 ZINC000363218552 655391695 /nfs/dbraw/zinc/39/16/95/655391695.db2.gz JRGXCQJAXKBTSG-BPQIPLTHSA-N 1 0 386.945 2.821 20 0 GFADRO C[C@@H](Oc1ccc(Br)cc1)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000366194472 655399629 /nfs/dbraw/zinc/39/96/29/655399629.db2.gz HWADZJOFXITUHN-CZUORRHYSA-N 1 0 397.313 2.586 20 0 GFADRO C[C@H]([NH2+]C[C@H](O)COCC(F)(F)F)c1nnc(-c2cccc(F)c2)s1 ZINC000366596529 655400331 /nfs/dbraw/zinc/40/03/31/655400331.db2.gz KRCLHLJYUKIIPH-CABZTGNLSA-N 1 0 379.379 2.935 20 0 GFADRO C[N@@H+]1CCC[C@H]2CN(Cn3c(=O)oc4cc(F)c(Br)cc43)CC[C@@H]21 ZINC000192162509 655403028 /nfs/dbraw/zinc/40/30/28/655403028.db2.gz HZJXRBZHKIGWPC-FZMZJTMJSA-N 1 0 398.276 2.870 20 0 GFADRO [NH3+]C1(CNC(=O)N(CCO)Cc2cc(Br)cs2)CCCCC1 ZINC000418322516 655405413 /nfs/dbraw/zinc/40/54/13/655405413.db2.gz SUGILVCDNHZZPC-UHFFFAOYSA-N 1 0 390.347 2.676 20 0 GFADRO O=C(c1ccc(I)c(Cl)c1)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000424023913 655407894 /nfs/dbraw/zinc/40/78/94/655407894.db2.gz GWLAUQQOUGOUKW-CQSZACIVSA-N 1 0 390.652 2.913 20 0 GFADRO C[C@H]1CCCC[C@]1(C[NH3+])NS(=O)(=O)c1cc(Br)cnc1Cl ZINC000193035311 655408007 /nfs/dbraw/zinc/40/80/07/655408007.db2.gz XSYQVVRPARSDQN-TVQRCGJNSA-N 1 0 396.738 2.683 20 0 GFADRO CCC[NH+](CCC)CN1C(=O)C(=O)N(c2ccc(Br)cc2)C1=O ZINC000193257844 655409044 /nfs/dbraw/zinc/40/90/44/655409044.db2.gz IFCSPFXUCDBNOH-UHFFFAOYSA-N 1 0 382.258 2.824 20 0 GFADRO COc1ccc(C(=O)NCC2([NH+]3CCCC3)CCOCC2)c(Br)c1 ZINC000517838537 655418914 /nfs/dbraw/zinc/41/89/14/655418914.db2.gz LSNZXYYWQPWSQH-UHFFFAOYSA-N 1 0 397.313 2.833 20 0 GFADRO CC[C@@H]([NH2+]C[C@@H]1CS(=O)(=O)CCO1)c1ccc(Br)cc1Cl ZINC000517843091 655418921 /nfs/dbraw/zinc/41/89/21/655418921.db2.gz VIEQHLLRQSRNAE-BXUZGUMPSA-N 1 0 396.734 2.957 20 0 GFADRO CC(C)C[C@@H]([NH3+])c1noc(Cc2ccc(S(=O)(=O)N3CCCC3)s2)n1 ZINC000517935187 655419379 /nfs/dbraw/zinc/41/93/79/655419379.db2.gz NCOALZUIEJTLCD-CYBMUJFWSA-N 1 0 384.527 2.552 20 0 GFADRO O=S1(=O)CC[C@H](N[C@@H]2CC[NH2+]C23CCC3)c2cc(Br)ccc21 ZINC000530214873 655420492 /nfs/dbraw/zinc/42/04/92/655420492.db2.gz DHGNHRNPBFQGLM-DZGCQCFKSA-N 1 0 385.327 2.542 20 0 GFADRO COc1cc(OC)c(S(=O)(=O)NC[C@H](C)[NH+]2CCCCC2)cc1Cl ZINC000201902629 655421145 /nfs/dbraw/zinc/42/11/45/655421145.db2.gz BLOLROQVNYEKKR-LBPRGKRZSA-N 1 0 376.906 2.510 20 0 GFADRO C[C@H](CNC(=O)/C=C\c1ccc(I)o1)C[NH+]1CCCC1 ZINC000221882872 655422011 /nfs/dbraw/zinc/42/20/11/655422011.db2.gz ZBMZGKSLBTWHNV-SMYYYNMVSA-N 1 0 388.249 2.746 20 0 GFADRO C[C@@H]1OCC[C@@]1(O)C[NH2+]Cc1cc(Br)c(Br)s1 ZINC000227127152 655422777 /nfs/dbraw/zinc/42/27/77/655422777.db2.gz OPOPNPBQHLCVDB-WRWORJQWSA-N 1 0 385.121 2.903 20 0 GFADRO C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000560655591 655423542 /nfs/dbraw/zinc/42/35/42/655423542.db2.gz OHBSLEOTFLUBOO-AAEUAGOBSA-N 1 0 384.307 2.866 20 0 GFADRO CCS(=O)(=O)CC[NH2+]Cc1ccc(OC(F)(F)F)c(Br)c1 ZINC000233826919 655424248 /nfs/dbraw/zinc/42/42/48/655424248.db2.gz SAQLIFMPFMYSMP-UHFFFAOYSA-N 1 0 390.221 2.872 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCCCN1S(=O)(=O)c1ccc(Cl)c(Br)c1 ZINC000235492036 655424408 /nfs/dbraw/zinc/42/44/08/655424408.db2.gz LNJBAZMYMGJULJ-TVQRCGJNSA-N 1 0 381.723 2.993 20 0 GFADRO C#CCOc1ccccc1C[NH2+]CCNC(=O)c1ccc(Br)cc1 ZINC000236608736 655424587 /nfs/dbraw/zinc/42/45/87/655424587.db2.gz CLEFGMWSYFIVRY-UHFFFAOYSA-N 1 0 387.277 2.981 20 0 GFADRO CCCC[C@@H](C[NH3+])NS(=O)(=O)c1ccc(OCC)c(Br)c1 ZINC000236678905 655424763 /nfs/dbraw/zinc/42/47/63/655424763.db2.gz DZWMMBZIWLYLHS-NSHDSACASA-N 1 0 379.320 2.644 20 0 GFADRO C#CCOc1ccc(Br)cc1C[NH2+]C[C@H](C)CN1CCOCC1 ZINC000237353671 655426031 /nfs/dbraw/zinc/42/60/31/655426031.db2.gz XUWKBIYZRXZIRK-HNNXBMFYSA-N 1 0 381.314 2.519 20 0 GFADRO O=C(CCc1ncc(-c2ccc(Cl)cc2Cl)o1)NC[C@@H]1C[NH2+]CCO1 ZINC000574200933 655426228 /nfs/dbraw/zinc/42/62/28/655426228.db2.gz BXTRCRZXDMPBTO-LBPRGKRZSA-N 1 0 384.263 2.686 20 0 GFADRO O=C(NCC[NH2+]C1CCCCCC1)c1sccc1S(=O)(=O)C(F)F ZINC000237923827 655426845 /nfs/dbraw/zinc/42/68/45/655426845.db2.gz XCGLSKFOORHTFL-UHFFFAOYSA-N 1 0 380.482 2.787 20 0 GFADRO COCC[N@H+]1[C@H](C)CN(C[C@@H](O)COc2c(Cl)cccc2Cl)C[C@@H]1C ZINC000246825218 655430636 /nfs/dbraw/zinc/43/06/36/655430636.db2.gz ULYTVYLNRHZFED-QLFBSQMISA-N 1 0 391.339 2.774 20 0 GFADRO COCC[N@H+]1[C@H](C)CN(C[C@@H](O)c2ccc(F)c(Br)c2)C[C@@H]1C ZINC000248555501 655432703 /nfs/dbraw/zinc/43/27/03/655432703.db2.gz KNWLMWBCXFBZPV-IIYDPXPESA-N 1 0 389.309 2.663 20 0 GFADRO Cc1ccc(Br)cc1C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000574893367 655433060 /nfs/dbraw/zinc/43/30/60/655433060.db2.gz PQGVXAZJKRGCGY-UHFFFAOYSA-N 1 0 377.286 3.473 20 0 GFADRO C[C@H]1C[C@@H](C(=O)NCc2noc(-c3cccc(Br)c3)n2)CC[NH2+]1 ZINC000574987300 655433974 /nfs/dbraw/zinc/43/39/74/655433974.db2.gz RIGXASMWSXBSHS-QWRGUYRKSA-N 1 0 379.258 2.503 20 0 GFADRO O=C(c1cc[nH]c(=O)c1Br)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000575039228 655434659 /nfs/dbraw/zinc/43/46/59/655434659.db2.gz XGVZQEBYQDLBOT-RISCZKNCSA-N 1 0 380.286 2.639 20 0 GFADRO Cc1cccc(C(=O)NCC[NH2+]Cc2cn3ccc(Br)cc3n2)c1 ZINC000575840475 655438182 /nfs/dbraw/zinc/43/81/82/655438182.db2.gz VHWWXPNXAWJUMI-UHFFFAOYSA-N 1 0 387.281 2.925 20 0 GFADRO CCOC(=O)CC[C@H](C)[NH2+]CCS(=O)(=O)c1cccc(Br)c1 ZINC000575916623 655439991 /nfs/dbraw/zinc/43/99/91/655439991.db2.gz SDMRKGLNGIDTHN-LBPRGKRZSA-N 1 0 392.315 2.544 20 0 GFADRO COc1c(Br)cc(Cl)cc1S(=O)(=O)N[C@@H](C[NH3+])C(C)(C)C ZINC000261595281 655441474 /nfs/dbraw/zinc/44/14/74/655441474.db2.gz DOYYKNIVVXRVQB-NSHDSACASA-N 1 0 399.738 2.763 20 0 GFADRO O=C(CC[N@@H+]1CCC[C@@H](n2ccnn2)C1)Nc1ccccc1Br ZINC000576032848 655442126 /nfs/dbraw/zinc/44/21/26/655442126.db2.gz QBLRRNQWIVNVNZ-CYBMUJFWSA-N 1 0 378.274 2.706 20 0 GFADRO CCN1CC[NH+](C[C@H](C)CNC(=O)N[C@@H]2CCc3sc(Cl)cc32)CC1 ZINC000576039079 655442388 /nfs/dbraw/zinc/44/23/88/655442388.db2.gz HSNDAHCWACANLE-UKRRQHHQSA-N 1 0 384.977 2.962 20 0 GFADRO C[C@@H]1CCN(S(=O)(=O)c2c(Cl)cccc2Br)C[C@H]1C[NH3+] ZINC000261850649 655442626 /nfs/dbraw/zinc/44/26/26/655442626.db2.gz WQHUOPDLTVVYIF-NXEZZACHSA-N 1 0 381.723 2.708 20 0 GFADRO CC(=O)N[C@H](Cc1nc(C2([NH3+])CCC2)no1)c1ccc(Br)cc1 ZINC000262026677 655443561 /nfs/dbraw/zinc/44/35/61/655443561.db2.gz WPSAYWKBFMTWMK-CYBMUJFWSA-N 1 0 379.258 2.590 20 0 GFADRO O[C@H](C[NH2+]CC1(c2ccc(Br)cc2Cl)CC1)Cn1cccn1 ZINC000576390089 655446540 /nfs/dbraw/zinc/44/65/40/655446540.db2.gz GUDJSRWDPUAQDK-CYBMUJFWSA-N 1 0 384.705 2.981 20 0 GFADRO CC[C@H](C)[N@H+](C)CCNC(=O)N(C)C[C@@H](O)c1cccc(Br)c1 ZINC000840284353 661151572 /nfs/dbraw/zinc/15/15/72/661151572.db2.gz JYKOMWFTFMFCRM-XJKSGUPXSA-N 1 0 386.334 2.854 20 0 GFADRO CC(C)C[C@@](C)(C[NH3+])NC(=O)COc1cccc(I)c1 ZINC000576576734 655449314 /nfs/dbraw/zinc/44/93/14/655449314.db2.gz MBLDXLVAKPASMW-HNNXBMFYSA-N 1 0 390.265 2.550 20 0 GFADRO Cc1ccc(Br)c(NC(=O)C(=O)N2CCC3(CC[NH2+]CC3)CC2)c1 ZINC000576685599 655450728 /nfs/dbraw/zinc/45/07/28/655450728.db2.gz DXJBJDBPMMCDSU-UHFFFAOYSA-N 1 0 394.313 2.688 20 0 GFADRO O[C@@H](C[NH2+]C[C@H]1Cc2ccccc2O1)COc1cc(F)cc(Br)c1 ZINC000576692882 655450859 /nfs/dbraw/zinc/45/08/59/655450859.db2.gz PLAHLLVIPLNVQG-DOTOQJQBSA-N 1 0 396.256 2.921 20 0 GFADRO Cc1ccccc1C[C@H](CO)[NH2+][C@H](C)Cn1cc(Br)ccc1=O ZINC000576850858 655453116 /nfs/dbraw/zinc/45/31/16/655453116.db2.gz XRGLMAHRKBIBMC-RHSMWYFYSA-N 1 0 379.298 2.501 20 0 GFADRO CC[C@H](Cc1ccccc1Br)[NH2+]C[C@H](O)COC1CCOCC1 ZINC000577054626 655456588 /nfs/dbraw/zinc/45/65/88/655456588.db2.gz CIQIQRIAOMDIDP-CVEARBPZSA-N 1 0 386.330 2.916 20 0 GFADRO Cc1cc(Cl)cc(NC(=O)C(=O)N[C@@H](C)C[C@@H](C)[NH3+])c1Br ZINC000577062544 655456806 /nfs/dbraw/zinc/45/68/06/655456806.db2.gz KEGURFIVFBDZGB-BDAKNGLRSA-N 1 0 376.682 2.591 20 0 GFADRO C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NCc1nc(Cc2cccc(Br)c2)no1 ZINC000577370800 655458006 /nfs/dbraw/zinc/45/80/06/655458006.db2.gz GONHILWFDICIDK-PSTGCABASA-N 1 0 379.302 2.899 20 0 GFADRO [NH3+]C[C@H](NC(=O)c1ccc(-n2cc(Br)cn2)cc1)C1CCCC1 ZINC000577483210 655460738 /nfs/dbraw/zinc/46/07/38/655460738.db2.gz WEVVCHNTIJCMMN-INIZCTEOSA-N 1 0 377.286 2.882 20 0 GFADRO CC[C@@H](C(=O)N(CCc1ccc(Cl)cc1)C[C@@H](O)C(F)(F)F)[NH+](C)C ZINC000577670041 655464285 /nfs/dbraw/zinc/46/42/85/655464285.db2.gz XBOKIHSXHWQOHJ-LSDHHAIUSA-N 1 0 380.838 2.975 20 0 GFADRO [NH3+][C@@H]1CCCC[C@H]1CC(=O)NCCCNC(=O)c1cccc(Br)c1 ZINC000577746095 655466236 /nfs/dbraw/zinc/46/62/36/655466236.db2.gz FQKUUOBHVICFOE-XJKSGUPXSA-N 1 0 396.329 2.593 20 0 GFADRO CN(CCCN1CC[NH+](C)CC1)C(=O)c1ccc(Br)cc1Cl ZINC000264621890 655467267 /nfs/dbraw/zinc/46/72/67/655467267.db2.gz LFKXVPMTDXCJQF-UHFFFAOYSA-N 1 0 388.737 2.812 20 0 GFADRO CS[C@@H]1CN(C(=O)Nc2cc(-c3cccc(Cl)c3)on2)C[C@H]1[NH+](C)C ZINC000577807527 655467435 /nfs/dbraw/zinc/46/74/35/655467435.db2.gz XJMMUZFNVHZHEK-UKRRQHHQSA-N 1 0 380.901 3.504 20 0 GFADRO CC[NH+](CC)CCNC(=O)CCC[S@](=O)c1ccc(Br)cc1 ZINC000264643165 655467771 /nfs/dbraw/zinc/46/77/71/655467771.db2.gz FOUTYNNXHMTAQO-QFIPXVFZSA-N 1 0 389.359 2.795 20 0 GFADRO C[C@@H](COCC(F)(F)F)[NH2+]C[C@H](O)COc1cccc(Br)c1 ZINC000577859875 655468605 /nfs/dbraw/zinc/46/86/05/655468605.db2.gz KTRSWGODZKLCAC-JQWIXIFHSA-N 1 0 386.208 2.746 20 0 GFADRO C[NH+](C)CCOc1cnccc1CNC(=O)c1cc(Br)ccc1F ZINC000577916297 655469235 /nfs/dbraw/zinc/46/92/35/655469235.db2.gz JEDVWWLQZGRWJG-UHFFFAOYSA-N 1 0 396.260 2.854 20 0 GFADRO COc1ccc(Br)cc1C(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000577916102 655469335 /nfs/dbraw/zinc/46/93/35/655469335.db2.gz UNHPMICWEFTSPI-ZDUSSCGKSA-N 1 0 385.302 2.688 20 0 GFADRO CC[NH+](CC)CCS(=O)(=O)NCCOCc1ccc(Cl)cc1Cl ZINC000577920885 655469441 /nfs/dbraw/zinc/46/94/41/655469441.db2.gz GZOAPIQOLUIYCT-UHFFFAOYSA-N 1 0 383.341 2.771 20 0 GFADRO CC(C)N(Cc1ccc(Br)cc1)C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000264770802 655470052 /nfs/dbraw/zinc/47/00/52/655470052.db2.gz NLFQTYJRTSGHPI-QGZVFWFLSA-N 1 0 397.361 2.615 20 0 GFADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)C1(c2ccc(Br)cc2)CCCC1 ZINC000264796351 655470716 /nfs/dbraw/zinc/47/07/16/655470716.db2.gz VOWUNXREMIJUSP-QGZVFWFLSA-N 1 0 394.357 2.623 20 0 GFADRO CCOc1ccc(NC(=O)c2ccn(CC[NH+](C)C)n2)cc1Br ZINC000578081544 655472257 /nfs/dbraw/zinc/47/22/57/655472257.db2.gz YENJEQNIJXEXED-UHFFFAOYSA-N 1 0 381.274 2.858 20 0 GFADRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)N(C)C[C@@H](O)c1cccc(Br)c1 ZINC000840294266 661151924 /nfs/dbraw/zinc/15/19/24/661151924.db2.gz NCOKEOAWRTYHKJ-IAGOWNOFSA-N 1 0 398.345 2.998 20 0 GFADRO Cc1csc([C@](O)(CC(=O)NC[C@H](CC(C)C)[NH+](C)C)C(F)(F)F)n1 ZINC000265116874 655477840 /nfs/dbraw/zinc/47/78/40/655477840.db2.gz MNSZWURXNUAJMF-SWLSCSKDSA-N 1 0 381.464 2.684 20 0 GFADRO O=C(N[C@@H](CO)c1cccc(Br)c1)NC1CC[NH+](C2CCC2)CC1 ZINC000578433685 655478870 /nfs/dbraw/zinc/47/88/70/655478870.db2.gz CAFUWVJIMDXFAK-KRWDZBQOSA-N 1 0 396.329 2.799 20 0 GFADRO COc1cc(Br)c(C[NH2+][C@@H]2CCO[C@@H](c3nccn3C)C2)cc1O ZINC000578483648 655480053 /nfs/dbraw/zinc/48/00/53/655480053.db2.gz IDSARFGRTJQCEB-MLGOLLRUSA-N 1 0 396.285 2.907 20 0 GFADRO C[C@@H](NC(=O)C(=O)N1CCC(CC[NH3+])CC1)c1cc(F)c(Cl)cc1Cl ZINC000578540966 655481415 /nfs/dbraw/zinc/48/14/15/655481415.db2.gz RNSWPIVPFCDEQH-SNVBAGLBSA-N 1 0 390.286 2.897 20 0 GFADRO O=S(=O)(NC[C@@H]1CCCN(Cc2cc(Br)cs2)C1)C1CC1 ZINC000578551512 655481734 /nfs/dbraw/zinc/48/17/34/655481734.db2.gz QZYLQIQRFCTZFF-NSHDSACASA-N 1 0 393.372 2.804 20 0 GFADRO O=C(N[C@@H](c1ccsc1)c1ccc(Cl)cc1)N1CCOC2(C[NH2+]C2)C1 ZINC000578608799 655482795 /nfs/dbraw/zinc/48/27/95/655482795.db2.gz RMJUMGXHQUFTFM-MRXNPFEDSA-N 1 0 377.897 2.875 20 0 GFADRO CS(=O)(=O)[C@@H]1CCC[C@@H]([NH2+]C[C@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000578619194 655483128 /nfs/dbraw/zinc/48/31/28/655483128.db2.gz DXPYDXKHXLIJHS-HZSPNIEDSA-N 1 0 396.336 2.679 20 0 GFADRO O=C(Nc1ccc2nccnc2c1Br)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000578727511 655485709 /nfs/dbraw/zinc/48/57/09/655485709.db2.gz QZTGJYNJNXBSGN-QGZVFWFLSA-N 1 0 390.285 3.000 20 0 GFADRO CC(=O)N[C@]1(c2nc(Cc3ccc(Br)cc3)cs2)CC[NH2+]C1 ZINC000578748819 655486185 /nfs/dbraw/zinc/48/61/85/655486185.db2.gz FDXLWMORMVBEDL-MRXNPFEDSA-N 1 0 380.311 2.821 20 0 GFADRO O=C(COc1ccc(Cl)c(Cl)c1)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000265580024 655486395 /nfs/dbraw/zinc/48/63/95/655486395.db2.gz WIWBRGSERUTMEG-ZDUSSCGKSA-N 1 0 387.307 2.989 20 0 GFADRO Cc1cc(S(=O)(=O)NC[C@]2(C)CCC[NH2+]C2)c(F)cc1Br ZINC000578867114 655488214 /nfs/dbraw/zinc/48/82/14/655488214.db2.gz IRJMSJSLRPLCJH-CQSZACIVSA-N 1 0 379.295 2.565 20 0 GFADRO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)CN1CC[N@H+](C)C(C)(C)C1 ZINC000578879410 655488493 /nfs/dbraw/zinc/48/84/93/655488493.db2.gz UEQXRTAZBSYLNU-UHFFFAOYSA-N 1 0 388.295 2.745 20 0 GFADRO CN(C[C@@H](O)c1cccc(Br)c1)C(=O)NCCC[NH+]1CCCC1 ZINC000840244827 661149179 /nfs/dbraw/zinc/14/91/79/661149179.db2.gz MIPOUIYTDPPEFB-MRXNPFEDSA-N 1 0 384.318 2.610 20 0 GFADRO [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)c1ccc(F)cc1I ZINC000579005058 655491479 /nfs/dbraw/zinc/49/14/79/655491479.db2.gz AAEDQNWWNOPXTC-FOCQTFQBSA-N 1 0 388.224 2.676 20 0 GFADRO CS(=O)(=O)[C@@H]1CCC[C@@H]([NH2+]Cc2cc3c(c(Br)c2)OCO3)C1 ZINC000265845826 655491799 /nfs/dbraw/zinc/49/17/99/655491799.db2.gz HETPZUGZUAQNIT-VXGBXAGGSA-N 1 0 390.299 2.623 20 0 GFADRO COC[C@@]1(CNC(=O)N2CCSC[C@@H]2c2ccc(Cl)cc2)CCC[NH2+]1 ZINC000579091015 655493591 /nfs/dbraw/zinc/49/35/91/655493591.db2.gz DIDSWRKMARTAPN-AEFFLSMTSA-N 1 0 383.945 2.908 20 0 GFADRO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)NCc1c(C)cc(Br)cc1C ZINC000579143676 655494780 /nfs/dbraw/zinc/49/47/80/655494780.db2.gz ALQWYXGXPNIUHU-CQSZACIVSA-N 1 0 398.345 2.529 20 0 GFADRO COc1c(Br)cccc1C[N@H+](C)C[C@@H](O)COCCOC(C)C ZINC000266019443 655495155 /nfs/dbraw/zinc/49/51/55/655495155.db2.gz OJWVEAIEZFRZKR-OAHLLOKOSA-N 1 0 390.318 2.692 20 0 GFADRO CC1CC[NH+](C[C@@H](O)CNC(=O)[C@H]2CCc3cc(Br)ccc32)CC1 ZINC000579596788 655502011 /nfs/dbraw/zinc/50/20/11/655502011.db2.gz LWWHMNFCIYEXPN-WMZOPIPTSA-N 1 0 395.341 2.688 20 0 GFADRO C[C@@H](NC(=O)[C@@H]1CCCCC[NH2+]1)c1cc2c(cc1Br)OCCO2 ZINC000579712888 655502890 /nfs/dbraw/zinc/50/28/90/655502890.db2.gz JBXNDFYDQMCJSV-RISCZKNCSA-N 1 0 383.286 2.930 20 0 GFADRO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]C[C@@H](CO)c1cccnc1 ZINC000579749955 655503510 /nfs/dbraw/zinc/50/35/10/655503510.db2.gz PCYPNJQTPHCMMG-HIFRSBDPSA-N 1 0 392.297 2.927 20 0 GFADRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(Cc2cc(Cl)cc(S(N)(=O)=O)c2)C1 ZINC000579839426 655504627 /nfs/dbraw/zinc/50/46/27/655504627.db2.gz WYOHVDHUIPZHEU-CKEIUWERSA-N 1 0 385.961 2.825 20 0 GFADRO COC(=O)c1ccc(C[NH2+]CC2CCN(C(C)=O)CC2)c(Br)c1 ZINC000579938796 655505951 /nfs/dbraw/zinc/50/59/51/655505951.db2.gz SQRCQAVECCDGGT-UHFFFAOYSA-N 1 0 383.286 2.584 20 0 GFADRO CCCC[N@H+](C)C[C@H](C)NC(=O)c1ccc(Cl)c(NS(C)(=O)=O)c1 ZINC000580001474 655506433 /nfs/dbraw/zinc/50/64/33/655506433.db2.gz GBFIMKYFRZAINF-LBPRGKRZSA-N 1 0 375.922 2.562 20 0 GFADRO C[C@@H](CNC(=O)OC(C)(C)C)C[NH2+]Cc1c(Cl)cccc1S(C)(=O)=O ZINC000700469777 655521507 /nfs/dbraw/zinc/52/15/07/655521507.db2.gz SVMOQBJZZDIHBN-GFCCVEGCSA-N 1 0 390.933 2.994 20 0 GFADRO C[NH+](C)C1(C)CCN(C(=O)c2ccc(F)cc2I)CC1 ZINC000709923562 655522375 /nfs/dbraw/zinc/52/23/75/655522375.db2.gz CUVXSLPQIYJFPW-UHFFFAOYSA-N 1 0 390.240 2.987 20 0 GFADRO Brc1cccc(-c2noc(C[N@@H+]3CC[C@@H](C4OCCO4)C3)n2)c1 ZINC000719056296 655524233 /nfs/dbraw/zinc/52/42/33/655524233.db2.gz BHZNXZIISNLMTH-GFCCVEGCSA-N 1 0 380.242 2.694 20 0 GFADRO Cc1cccc(C(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3C)c1I ZINC000720825031 655524772 /nfs/dbraw/zinc/52/47/72/655524772.db2.gz LWNRCVCSKRPDSX-KBPBESRZSA-N 1 0 384.261 2.908 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)c2ccc(I)cc2)C[C@H]1C(F)(F)F ZINC000720817767 655524792 /nfs/dbraw/zinc/52/47/92/655524792.db2.gz SDAHGMJJWYBHCX-MWLCHTKSSA-N 1 0 398.166 2.500 20 0 GFADRO C[C@@H]1CN(S(=O)(=O)c2ccc(Br)cc2Cl)C[C@H]1CC[NH3+] ZINC000723901715 655525683 /nfs/dbraw/zinc/52/56/83/655525683.db2.gz JQMQWEIBZUHUKM-NXEZZACHSA-N 1 0 381.723 2.708 20 0 GFADRO C[NH+](C)CC(C)(C)CNC(=S)NCc1ccc(OCC(F)(F)F)nc1 ZINC000727075051 655541399 /nfs/dbraw/zinc/54/13/99/655541399.db2.gz XEUXIRIHULCMSL-UHFFFAOYSA-N 1 0 378.464 2.575 20 0 GFADRO O[C@H](COc1c(Cl)cccc1Cl)C[N@@H+]1CCCC[C@@H]1C1OCCO1 ZINC000728173229 655553586 /nfs/dbraw/zinc/55/35/86/655553586.db2.gz BWXLYYCSLOZVNC-SWLSCSKDSA-N 1 0 376.280 2.961 20 0 GFADRO Cc1cc(Br)cc(C)c1CNC(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000729500376 655565548 /nfs/dbraw/zinc/56/55/48/655565548.db2.gz XMEXATHPHZLQNB-HZPDHXFCSA-N 1 0 396.329 2.728 20 0 GFADRO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]C[C@H]1Cc2ccccc21 ZINC000729680962 655566672 /nfs/dbraw/zinc/56/66/72/655566672.db2.gz JQSQVNFHPNTDMK-CABCVRRESA-N 1 0 379.913 2.634 20 0 GFADRO C[C@@H](CNC(=S)NCC[NH+](C)C)Sc1ccc(Br)cc1 ZINC000731570703 655584582 /nfs/dbraw/zinc/58/45/82/655584582.db2.gz VQKBUVQZXCUZBK-NSHDSACASA-N 1 0 376.389 2.955 20 0 GFADRO CN([C@H]1CC[N@@H+](C2CC2)C1)S(=O)(=O)/C=C\c1ccccc1Br ZINC000732226549 655593603 /nfs/dbraw/zinc/59/36/03/655593603.db2.gz LIADXERYIIYZFI-KLQCNHIUSA-N 1 0 385.327 2.918 20 0 GFADRO O=C([C@@H]1CCC[N@@H+](C[C@H](O)c2cccc(Br)c2)C1)N1CCCC1 ZINC000732412316 655596186 /nfs/dbraw/zinc/59/61/86/655596186.db2.gz HYOFYOPRGLFPKA-WBVHZDCISA-N 1 0 381.314 2.817 20 0 GFADRO COCC[N@@H+]1CC[C@H](NC(=S)Nc2ccc(OC(F)F)c(Cl)c2)C1 ZINC000735628795 655650227 /nfs/dbraw/zinc/65/02/27/655650227.db2.gz XDDLMWCBCXBHJM-NSHDSACASA-N 1 0 379.860 2.949 20 0 GFADRO CCCS(=O)(=O)Nc1cccc(NC(=S)NC[C@@H]2CCC[N@@H+]2CC)c1 ZINC000737451671 655672473 /nfs/dbraw/zinc/67/24/73/655672473.db2.gz AQDKZLCNRXXMAD-INIZCTEOSA-N 1 0 384.571 2.609 20 0 GFADRO S=c1n(Cc2cccs2)nnn1CN1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000738100820 655685569 /nfs/dbraw/zinc/68/55/69/655685569.db2.gz XELZPTWNUASBCA-OAHLLOKOSA-N 1 0 378.571 2.827 20 0 GFADRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)c1sccc1S(=O)(=O)C(F)F ZINC000742138472 655710466 /nfs/dbraw/zinc/71/04/66/655710466.db2.gz RKCMQNSTSHKKGH-LLVKDONJSA-N 1 0 380.482 2.691 20 0 GFADRO C[C@@H](NC(=O)/C=C/c1ccc(I)o1)C(C)(C)C[NH+](C)C ZINC000742185652 655711574 /nfs/dbraw/zinc/71/15/74/655711574.db2.gz RVQBZWFQRTVYAV-MXMFLMJRSA-N 1 0 390.265 2.990 20 0 GFADRO O=Cc1ccc(OCC(=O)N2CC[NH+](C3CCCC3)CC2)c(Br)c1 ZINC000742521840 655718967 /nfs/dbraw/zinc/71/89/67/655718967.db2.gz JUQSSKSQOWZROW-UHFFFAOYSA-N 1 0 395.297 2.727 20 0 GFADRO COc1ccc(Cl)c(NC(=S)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)c1 ZINC000742997061 655724153 /nfs/dbraw/zinc/72/41/53/655724153.db2.gz KIZAJQAZIPKBEX-CQSZACIVSA-N 1 0 382.961 2.757 20 0 GFADRO C[C@H]1CC[N@H+](CCNC(=O)C(=O)Nc2cccc(C3SCCS3)c2)C1 ZINC000746047034 655757839 /nfs/dbraw/zinc/75/78/39/655757839.db2.gz UXRZQWALUCQVQP-ZDUSSCGKSA-N 1 0 379.551 2.562 20 0 GFADRO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)c2ccc(Cl)c(S(C)(=O)=O)c2)C1 ZINC000746343007 655760321 /nfs/dbraw/zinc/76/03/21/655760321.db2.gz CVMSDCRAXUGBHI-AWEZNQCLSA-N 1 0 384.929 2.547 20 0 GFADRO C[NH+](C)CCn1cc(NC(=O)NCCc2ccc(Br)cc2F)cn1 ZINC000747555985 655780024 /nfs/dbraw/zinc/78/00/24/655780024.db2.gz FOZIVEFVQHLHDL-UHFFFAOYSA-N 1 0 398.280 2.711 20 0 GFADRO C[NH+](C)CCn1cc(NC(=O)NC[C@H](O)c2ccc(Cl)cc2Cl)cn1 ZINC000747555992 655780067 /nfs/dbraw/zinc/78/00/67/655780067.db2.gz FSSUUHRXMANVDN-HNNXBMFYSA-N 1 0 386.283 2.607 20 0 GFADRO C[NH+](C)CCCNC(=S)N1CCO[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000747670013 655781646 /nfs/dbraw/zinc/78/16/46/655781646.db2.gz CKOPPFXUSJZVOR-HNNXBMFYSA-N 1 0 375.460 2.905 20 0 GFADRO C[NH+](C)[C@@]1(CNC(=O)NC[C@H](O)c2cc(Cl)cc(Cl)c2)CCSC1 ZINC000748645949 655793312 /nfs/dbraw/zinc/79/33/12/655793312.db2.gz CXBZQNMLZBVHFN-GOEBONIOSA-N 1 0 392.352 2.763 20 0 GFADRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CC2)C1 ZINC000749445677 655805130 /nfs/dbraw/zinc/80/51/30/655805130.db2.gz IRDZXMLLVDVBRT-GJZGRUSLSA-N 1 0 384.929 2.635 20 0 GFADRO Cc1ccc(/C=C/C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)c(Br)c1 ZINC000749510201 655805545 /nfs/dbraw/zinc/80/55/45/655805545.db2.gz XTDUNKKZZOWVJR-DWTRPJMMSA-N 1 0 393.325 2.951 20 0 GFADRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=S)NC[C@@H]2CCOC2)CC1 ZINC000749639083 655806228 /nfs/dbraw/zinc/80/62/28/655806228.db2.gz JPUUICPTHLYMBK-AWEZNQCLSA-N 1 0 382.961 2.805 20 0 GFADRO C[N@H+](CC1CC1)C[C@@H]1CCN(Cn2c3cc(Br)ccc3oc2=O)C1 ZINC000749959092 655809667 /nfs/dbraw/zinc/80/96/67/655809667.db2.gz MVNCRJBHROPTOM-AWEZNQCLSA-N 1 0 394.313 2.978 20 0 GFADRO CC[NH+](CC)C[C@@H](C)NC(=O)/C=C\c1ccc(I)o1 ZINC000749978143 655810150 /nfs/dbraw/zinc/81/01/50/655810150.db2.gz UTXMUZGGJPVVLI-GXMKHXEJSA-N 1 0 376.238 2.744 20 0 GFADRO O=S(=O)(NC[C@H]1CC[N@@H+](C2CC2)C1)c1cc2ccc(Cl)nc2cc1F ZINC000750155863 655811858 /nfs/dbraw/zinc/81/18/58/655811858.db2.gz UEPPMPWYTZRCCL-LLVKDONJSA-N 1 0 383.876 2.790 20 0 GFADRO NS(=O)(=O)c1ccc(CC[N@@H+]2CCC[C@@H]2C[C@@H](O)c2cccs2)cc1 ZINC000750829601 655817767 /nfs/dbraw/zinc/81/77/67/655817767.db2.gz IYNHXHKKDBKQMH-NVXWUHKLSA-N 1 0 380.535 2.526 20 0 GFADRO COCCS(=O)(=O)CCC[N@@H+]1CCCCC[C@H]1C[C@@H](O)c1cccs1 ZINC000750840370 655817935 /nfs/dbraw/zinc/81/79/35/655817935.db2.gz WNZODHDVJNZKIN-DLBZAZTESA-N 1 0 389.583 2.868 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CNC(=S)NCCC(=O)Nc1cccc(Cl)c1C ZINC000751014480 655820254 /nfs/dbraw/zinc/82/02/54/655820254.db2.gz NQOZFEVLAVUZCL-AWEZNQCLSA-N 1 0 382.961 2.925 20 0 GFADRO Cc1cc(CCC(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)ccc1Br ZINC000751366340 655825664 /nfs/dbraw/zinc/82/56/64/655825664.db2.gz XXLIKIZAZSPSRQ-HOTGVXAUSA-N 1 0 381.314 2.670 20 0 GFADRO C[C@@H]1CN(C(C)(C)C[NH2+]C[C@@H](O)c2ccccc2Br)C[C@H](C)O1 ZINC000751570173 655831122 /nfs/dbraw/zinc/83/11/22/655831122.db2.gz MAJUGXPFSQHANO-JKIFEVAISA-N 1 0 385.346 2.960 20 0 GFADRO O=C1NC2(CO1)CC[NH+](Cc1cnn(-c3ccc(Br)cc3)c1)CC2 ZINC000753586071 655856184 /nfs/dbraw/zinc/85/61/84/655856184.db2.gz FVPNIBAIJBEUBO-UHFFFAOYSA-N 1 0 391.269 2.709 20 0 GFADRO O=c1cc(C[NH2+][C@@H](CCO)c2cccs2)nc2ccc(Br)cn12 ZINC000754386108 655867141 /nfs/dbraw/zinc/86/71/41/655867141.db2.gz QOJBFEUNBYTDAW-ZDUSSCGKSA-N 1 0 394.294 2.732 20 0 GFADRO COC(=O)C[C@H]([NH2+]CC(=O)N[C@H](C)c1ccc(Br)cc1)C1CC1 ZINC000754518705 655869123 /nfs/dbraw/zinc/86/91/23/655869123.db2.gz NENOJGDEJRIASQ-ABAIWWIYSA-N 1 0 383.286 2.558 20 0 GFADRO O=c1c(Br)nn(C[N@@H+]2CCC[C@H]([C@H]3CCOC3)C2)c2ccccc12 ZINC000755754353 655888562 /nfs/dbraw/zinc/88/85/62/655888562.db2.gz WSDCNQZRYCOPKZ-KBPBESRZSA-N 1 0 392.297 2.865 20 0 GFADRO CC(C)(C)S(=O)(=O)N1CCC([NH2+][C@@H]2CC[C@H]3SCCS[C@H]23)CC1 ZINC000756047916 655893766 /nfs/dbraw/zinc/89/37/66/655893766.db2.gz CRZMEXLUXPCMBO-RBSFLKMASA-N 1 0 378.629 2.548 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2ccc(Cl)c(C(=O)OC)c2)C[C@@H]1C ZINC000757496817 655912669 /nfs/dbraw/zinc/91/26/69/655912669.db2.gz SUYSORPAHAASOG-QWHCGFSZSA-N 1 0 388.917 2.620 20 0 GFADRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)Nc1ccc(I)cc1 ZINC000757793266 655916774 /nfs/dbraw/zinc/91/67/74/655916774.db2.gz IEYGDOCPPNTYJR-HZMBPMFUSA-N 1 0 385.249 2.895 20 0 GFADRO CC[NH+]1CCN(c2ccc(NC(=O)c3cc(Br)nn3C)cc2)CC1 ZINC000757805531 655916904 /nfs/dbraw/zinc/91/69/04/655916904.db2.gz LXBIGMWVJRHXIA-UHFFFAOYSA-N 1 0 392.301 2.577 20 0 GFADRO C[N@H+](CCCOC(=O)Cn1cc(Br)ccc1=O)Cc1ccccc1 ZINC000757956495 655920014 /nfs/dbraw/zinc/92/00/14/655920014.db2.gz WUIPBVJXXJYVMD-UHFFFAOYSA-N 1 0 393.281 2.676 20 0 GFADRO CN(Cc1ccc(C[NH+](C)C)cc1)S(=O)(=O)c1ccc(Br)o1 ZINC000759019203 655945063 /nfs/dbraw/zinc/94/50/63/655945063.db2.gz LKSUCRNYISSKLD-UHFFFAOYSA-N 1 0 387.299 2.924 20 0 GFADRO COCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](C[C@@H](O)c2ccc(Cl)cc2Cl)C1 ZINC000759127668 655948349 /nfs/dbraw/zinc/94/83/49/655948349.db2.gz CSOQNYVWBXWIKJ-OGHNNQOOSA-N 1 0 389.323 2.890 20 0 GFADRO C[NH+](C)CC1(CNC(=O)COc2ccc(C=O)cc2Br)CCCC1 ZINC000760135866 655970123 /nfs/dbraw/zinc/97/01/23/655970123.db2.gz DTLKPZBLHNPOFT-UHFFFAOYSA-N 1 0 397.313 2.879 20 0 GFADRO CN1CC[C@H](NC(=S)NCC2CC[NH+](C)CC2)[C@H]1c1ccc(Cl)cc1 ZINC000760500090 655982753 /nfs/dbraw/zinc/98/27/53/655982753.db2.gz QGBGZULXFZFGRG-ZWKOTPCHSA-N 1 0 380.989 2.891 20 0 GFADRO S=C(NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1)NC[C@@H]1CCCCO1 ZINC000761506225 656017126 /nfs/dbraw/zinc/01/71/26/656017126.db2.gz WGCWMKBOADFZPU-MSOLQXFVSA-N 1 0 379.595 2.637 20 0 GFADRO CCCN(C(=O)[C@@H](C)SCC[NH+](C(C)C)C(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000762199004 656035930 /nfs/dbraw/zinc/03/59/30/656035930.db2.gz KLDYIVPZWUGSNO-IAGOWNOFSA-N 1 0 392.631 2.653 20 0 GFADRO C[C@]1(c2ccc(Br)cc2)NC(=O)N(C[N@@H+]2CC[C@H](C3CC3)C2)C1=O ZINC000763331796 656079396 /nfs/dbraw/zinc/07/93/96/656079396.db2.gz JAZXGGVKHNPXPE-SCLBCKFNSA-N 1 0 392.297 2.906 20 0 GFADRO C[C@H]1C[C@@H](C[NH2+]CCC(C)(C)S(C)(=O)=O)CCN1C(=O)OC(C)(C)C ZINC000840960883 661221426 /nfs/dbraw/zinc/22/14/26/661221426.db2.gz XAZGLBJRIKSHPW-GJZGRUSLSA-N 1 0 376.563 2.825 20 0 GFADRO C[C@@H]1CCCN(C(=O)Nc2cc3c(cc2Br)OCCO3)[C@@H]1C[NH3+] ZINC000841014677 661227035 /nfs/dbraw/zinc/22/70/35/661227035.db2.gz HUUOSEXEYSXQDA-ZWNOBZJWSA-N 1 0 384.274 2.811 20 0 GFADRO [NH3+]CC[C@@H]1CCCN(C(=O)Nc2cc3c(cc2Br)OCCO3)C1 ZINC000841016252 661227956 /nfs/dbraw/zinc/22/79/56/661227956.db2.gz RWOCYOMAEGTRNT-NSHDSACASA-N 1 0 384.274 2.813 20 0 GFADRO NC(=O)COc1ccc(C[NH2+][C@H]2CCOc3c(Br)cccc32)cc1 ZINC000765406950 656141915 /nfs/dbraw/zinc/14/19/15/656141915.db2.gz YEYBUDJLMNAJSN-INIZCTEOSA-N 1 0 391.265 2.927 20 0 GFADRO COCCNS(=O)(=O)c1ccc(C[NH2+][C@H](C)c2ccnc(Cl)c2)cc1 ZINC000765406422 656141980 /nfs/dbraw/zinc/14/19/80/656141980.db2.gz OXCXJFKMFNROHA-CYBMUJFWSA-N 1 0 383.901 2.511 20 0 GFADRO C[C@@H]([NH2+]C1CCC(O)(C(F)(F)F)CC1)c1cccc(NS(C)(=O)=O)c1 ZINC000765434818 656142985 /nfs/dbraw/zinc/14/29/85/656142985.db2.gz WWODYJCMCILIMR-NUYPLMSZSA-N 1 0 380.432 2.945 20 0 GFADRO COC(=O)N1CCC[C@@H]([NH2+][C@H](C)CC(=O)Nc2ccc(Br)cc2)C1 ZINC000765633849 656146564 /nfs/dbraw/zinc/14/65/64/656146564.db2.gz LEKQWLUNDUYOLT-IUODEOHRSA-N 1 0 398.301 2.987 20 0 GFADRO CC[S@@](=O)CC[NH2+][C@@H]1CCCOc2ccc(I)cc21 ZINC000765942850 656155972 /nfs/dbraw/zinc/15/59/72/656155972.db2.gz KLJCUIINPYLWST-BFUOFWGJSA-N 1 0 393.290 2.863 20 0 GFADRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)Nc2ccc(Br)nc2)C1 ZINC000766163724 656163532 /nfs/dbraw/zinc/16/35/32/656163532.db2.gz JVQBBRIHVMPRCA-AWEZNQCLSA-N 1 0 385.306 2.809 20 0 GFADRO CC[C@H]([NH2+]C[C@H](O)c1cnn(C)c1)c1ccc(I)cc1 ZINC000766186950 656164367 /nfs/dbraw/zinc/16/43/67/656164367.db2.gz ZGNJZHGBWYKCHS-GJZGRUSLSA-N 1 0 385.249 2.799 20 0 GFADRO CC[NH+](CC)CCNC(=O)c1ccc(OC(=O)C2SCCCS2)cc1 ZINC000841118018 661234403 /nfs/dbraw/zinc/23/44/03/661234403.db2.gz CGIREYZDZPQUJG-UHFFFAOYSA-N 1 0 382.551 2.860 20 0 GFADRO COC(=O)c1cc(NC(=O)N2CCC[C@H](C[NH3+])C2)c(Br)cc1F ZINC000841125839 661235619 /nfs/dbraw/zinc/23/56/19/661235619.db2.gz TUPMIGHHQHCURW-SECBINFHSA-N 1 0 388.237 2.577 20 0 GFADRO O=S(=O)(N1CCC(C[NH2+]C[C@@H]2C[C@@H]2c2ccccc2)CC1)C(F)(F)F ZINC000767381410 656201208 /nfs/dbraw/zinc/20/12/08/656201208.db2.gz FEEGLRVMCMVFBD-JKSUJKDBSA-N 1 0 376.444 2.941 20 0 GFADRO C[C@@H](C[NH3+])N(C)C(=O)C(=O)Nc1ccccc1SC[C@H]1CC1(Cl)Cl ZINC000841174240 661241564 /nfs/dbraw/zinc/24/15/64/661241564.db2.gz TZPNTZKZFMQWBN-WDEREUQCSA-N 1 0 390.336 2.717 20 0 GFADRO C[C@]1(CNC(=O)C(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)CC1(Cl)Cl ZINC000841138310 661236660 /nfs/dbraw/zinc/23/66/60/661236660.db2.gz WFWHXORHAAMQNH-CYBMUJFWSA-N 1 0 398.212 2.803 20 0 GFADRO CC(C)CSCCC[NH+]1CCN(c2ccc(NS(C)(=O)=O)cc2)CC1 ZINC000767738664 656218028 /nfs/dbraw/zinc/21/80/28/656218028.db2.gz WUYBPYJPCPNVFN-UHFFFAOYSA-N 1 0 385.599 2.959 20 0 GFADRO C[N@H+](CCCn1ccnc1)Cn1ccc(=O)c2cccc(Br)c21 ZINC000767758478 656218788 /nfs/dbraw/zinc/21/87/88/656218788.db2.gz BYJXMLWFWXYFIL-UHFFFAOYSA-N 1 0 375.270 2.940 20 0 GFADRO CCN(CC)S(=O)(=O)N1CC[NH+](CC2CCC(C(F)(F)F)CC2)CC1 ZINC000768504303 656240601 /nfs/dbraw/zinc/24/06/01/656240601.db2.gz JDIXJOJNRVIWSE-UHFFFAOYSA-N 1 0 385.496 2.559 20 0 GFADRO O=C(/C=C\c1ccc(Br)o1)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000768584204 656242914 /nfs/dbraw/zinc/24/29/14/656242914.db2.gz UFDNRCDTRPGKNA-ICFKLAHKSA-N 1 0 397.313 2.939 20 0 GFADRO CN(C(=O)C(=O)Nc1cc(Cl)ccc1Br)C1CCC([NH3+])CC1 ZINC000841188840 661242974 /nfs/dbraw/zinc/24/29/74/661242974.db2.gz JOUDKGRXLXVCOC-UHFFFAOYSA-N 1 0 388.693 2.769 20 0 GFADRO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)Nc1cnc(Cl)c(Br)c1C ZINC000841193199 661243151 /nfs/dbraw/zinc/24/31/51/661243151.db2.gz WVHWSXISJCQWFI-IUCAKERBSA-N 1 0 379.661 2.970 20 0 GFADRO C[C@H](CC[NH3+])NC(=O)C(=O)Nc1ccccc1SC[C@H]1CC1(Cl)Cl ZINC000841204246 661243983 /nfs/dbraw/zinc/24/39/83/661243983.db2.gz SGNVEQUGDGWWFB-GHMZBOCLSA-N 1 0 390.336 2.765 20 0 GFADRO C[C@@H]1CN(C(=O)C(=O)Nc2ccc3cc(Br)ccc3c2)[C@@H](C)C[NH2+]1 ZINC000841207505 661244384 /nfs/dbraw/zinc/24/43/84/661244384.db2.gz QQSPVRVKTZOHAQ-NEPJUHHUSA-N 1 0 390.281 2.750 20 0 GFADRO CC1(C)CCC[N@H+](CCNC(=O)COc2ccc(C=O)cc2Br)C1 ZINC000769708465 656287067 /nfs/dbraw/zinc/28/70/67/656287067.db2.gz VUFGYYDMEPJSPM-UHFFFAOYSA-N 1 0 397.313 2.879 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)C(=O)Nc2cccc(Cl)c2SC(F)F)CC[NH2+]1 ZINC000841230165 661246326 /nfs/dbraw/zinc/24/63/26/661246326.db2.gz LTOLOTLPXOUVPJ-RKDXNWHRSA-N 1 0 377.844 2.850 20 0 GFADRO C[NH+](C)CCc1ccc(NC(=O)c2nccn3c(Br)cnc23)cc1 ZINC000769753361 656290093 /nfs/dbraw/zinc/29/00/93/656290093.db2.gz RWFTZAHUPMRSLK-UHFFFAOYSA-N 1 0 388.269 2.848 20 0 GFADRO CSc1nc2ccc(NC(=O)C(=O)NCCC[C@H]3CCC[NH2+]3)cc2s1 ZINC000841258232 661249804 /nfs/dbraw/zinc/24/98/04/661249804.db2.gz DSTUOTOQOFAXNU-LLVKDONJSA-N 1 0 378.523 2.605 20 0 GFADRO COC(=O)C[C@]1([NH2+]CC[S@](=O)c2cc(Cl)ccc2Cl)CCCOC1 ZINC000770700823 656327228 /nfs/dbraw/zinc/32/72/28/656327228.db2.gz PYEACPBHFHNDEF-GYCJOSAFSA-N 1 0 394.320 2.803 20 0 GFADRO Cc1cc(Br)ncc1NC(=O)C(=O)NCC[NH2+]C1CCCCCC1 ZINC000841183724 661242266 /nfs/dbraw/zinc/24/22/66/661242266.db2.gz QGQCACOBPXPTBE-UHFFFAOYSA-N 1 0 397.317 2.520 20 0 GFADRO Cc1ccc([C@H](C)[NH2+]CC2CCN(S(=O)(=O)C(F)(F)F)CC2)c(C)n1 ZINC000771393350 656348370 /nfs/dbraw/zinc/34/83/70/656348370.db2.gz ZMNJFKAUEYJPOW-LBPRGKRZSA-N 1 0 379.448 2.911 20 0 GFADRO Cc1ccc(CCC(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c(Br)c1 ZINC000771984274 656369233 /nfs/dbraw/zinc/36/92/33/656369233.db2.gz IRMQZGUCPVIZPA-CVEARBPZSA-N 1 0 381.314 2.670 20 0 GFADRO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1ccccc1S(=O)(=O)C(F)F ZINC000841384432 661256961 /nfs/dbraw/zinc/25/69/61/661256961.db2.gz ZAYKVVVBMFTALX-CYBMUJFWSA-N 1 0 376.469 2.923 20 0 GFADRO O=C(NC1CC[NH+](CCOc2ccc(F)cc2)CC1)C1SCCCS1 ZINC000841395294 661259406 /nfs/dbraw/zinc/25/94/06/661259406.db2.gz WLFWXTRYKBADBS-UHFFFAOYSA-N 1 0 384.542 2.981 20 0 GFADRO CC(C)C[NH+]1CCN(Cn2c(=O)oc3cc(Br)c(F)cc32)CC1 ZINC000773282031 656407759 /nfs/dbraw/zinc/40/77/59/656407759.db2.gz LTJKKHHZFYRTTP-UHFFFAOYSA-N 1 0 386.265 2.727 20 0 GFADRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1cc(=O)c2cc(Br)ccc2o1 ZINC000841401515 661260624 /nfs/dbraw/zinc/26/06/24/661260624.db2.gz DMNYXOMLAKCFLV-IINYFYTJSA-N 1 0 391.265 2.768 20 0 GFADRO C[C@@H]1CCC[N@@H+]1CCNC(=O)C(=O)Nc1cc(Cl)cc(C(F)(F)F)c1 ZINC000773368813 656440959 /nfs/dbraw/zinc/44/09/59/656440959.db2.gz FBFSHEUTQBHUHR-SNVBAGLBSA-N 1 0 377.794 2.898 20 0 GFADRO C[NH+](C)CCOc1ccccc1C(=O)NCc1cnc(Br)s1 ZINC000773530457 656457151 /nfs/dbraw/zinc/45/71/51/656457151.db2.gz RTPFOXCKNLHMAJ-UHFFFAOYSA-N 1 0 384.299 2.776 20 0 GFADRO C[C@H]([NH2+]CC1CCN(S(C)(=O)=O)CC1)c1cc(Cl)c(N)c(Cl)c1 ZINC000774402751 656526347 /nfs/dbraw/zinc/52/63/47/656526347.db2.gz GBTNQYVDAZOZJM-JTQLQIEISA-N 1 0 380.341 2.898 20 0 GFADRO O=C(C1CC1)N1CCC([NH2+]C[C@H](O)c2ccc(F)c(Br)c2)CC1 ZINC000774594416 656539151 /nfs/dbraw/zinc/53/91/51/656539151.db2.gz CLRROSZEJARPQM-INIZCTEOSA-N 1 0 385.277 2.612 20 0 GFADRO O[C@H](C[NH2+]C[C@@H](O)c1ccc(F)c(Br)c1)COc1ccccc1 ZINC000774614673 656541074 /nfs/dbraw/zinc/54/10/74/656541074.db2.gz VPJQSBLGPCDYFQ-CXAGYDPISA-N 1 0 384.245 2.651 20 0 GFADRO COc1ccc([C@H](C)[NH2+]CC(=O)NCc2ccccn2)cc1Br ZINC000774829179 656560498 /nfs/dbraw/zinc/56/04/98/656560498.db2.gz GGHFUCVPFTWWCO-LBPRGKRZSA-N 1 0 378.270 2.820 20 0 GFADRO Cc1cc(Br)cc(C[NH2+][C@@H]2CCCN(c3ccn(C)n3)C2=O)c1 ZINC000775006824 656584877 /nfs/dbraw/zinc/58/48/77/656584877.db2.gz KNCKOROYRFSVMK-OAHLLOKOSA-N 1 0 377.286 2.776 20 0 GFADRO O=C1c2ccccc2C(=O)N1CC[NH2+]C[C@@H](O)c1ccc(Cl)cc1Cl ZINC000775016038 656586515 /nfs/dbraw/zinc/58/65/15/656586515.db2.gz MJXOUIKUUIZGPF-MRXNPFEDSA-N 1 0 379.243 2.913 20 0 GFADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)Nc1cc(F)c(Br)c(F)c1 ZINC000775375545 656632974 /nfs/dbraw/zinc/63/29/74/656632974.db2.gz KJZFHZXUUVIGDU-WDEREUQCSA-N 1 0 390.228 2.712 20 0 GFADRO c1ccc(C[C@H](CN2CCOCC2)[NH2+][C@@H]2CC[C@H]3SCCS[C@@H]23)cc1 ZINC000775387436 656635635 /nfs/dbraw/zinc/63/56/35/656635635.db2.gz MNYYKPCAYPRHQA-WTGUMLROSA-N 1 0 378.607 2.899 20 0 GFADRO C[C@H](CN1CCN(c2ccccn2)CC1)[NH2+][C@@H]1CC[C@H]2SCCS[C@H]12 ZINC000775392630 656636006 /nfs/dbraw/zinc/63/60/06/656636006.db2.gz HYRVMCXDBULITP-YWTNHNAXSA-N 1 0 378.611 2.561 20 0 GFADRO COC(=O)N1CCC[C@H]([C@@H](C)[NH2+]CC(=O)Nc2ccccc2Br)C1 ZINC000775812879 656682438 /nfs/dbraw/zinc/68/24/38/656682438.db2.gz PVPXDNFFKOYENV-OLZOCXBDSA-N 1 0 398.301 2.844 20 0 GFADRO Cc1cnc(Br)cc1NC(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000776043503 656705199 /nfs/dbraw/zinc/70/51/99/656705199.db2.gz RVRWOQYDPAKKJI-AWEZNQCLSA-N 1 0 397.317 2.917 20 0 GFADRO Cc1cnc(Br)cc1NC(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000776043504 656705311 /nfs/dbraw/zinc/70/53/11/656705311.db2.gz RVRWOQYDPAKKJI-CQSZACIVSA-N 1 0 397.317 2.917 20 0 GFADRO O=C(Cn1ccc(Br)n1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000778556897 656884123 /nfs/dbraw/zinc/88/41/23/656884123.db2.gz BKZLROZJDADSNE-UHFFFAOYSA-N 1 0 395.326 2.833 20 0 GFADRO CC[C@@H]([NH2+]CC1CCN(S(=O)(=O)C(F)(F)F)CC1)c1ccc(F)cn1 ZINC000779058707 656898261 /nfs/dbraw/zinc/89/82/61/656898261.db2.gz CNYBCKJSPAGZEG-CYBMUJFWSA-N 1 0 383.411 2.823 20 0 GFADRO C[N@@H+]1CCCC[C@H]1CCOC(=O)c1c(N)cccc1I ZINC000780277877 656995315 /nfs/dbraw/zinc/99/53/15/656995315.db2.gz PIWCGJIUFSHIAX-NSHDSACASA-N 1 0 388.249 2.905 20 0 GFADRO C[C@H](CNS(=O)(=O)Cc1ccc(Br)cc1)[NH+]1CCCCC1 ZINC000780715646 657025176 /nfs/dbraw/zinc/02/51/76/657025176.db2.gz LZULWALVUOAELY-CYBMUJFWSA-N 1 0 375.332 2.743 20 0 GFADRO COC(=O)c1cc(S(=O)(=O)NCC[N@@H+]2CCC[C@@H]2C)c(Cl)cc1Cl ZINC000780866438 657034101 /nfs/dbraw/zinc/03/41/01/657034101.db2.gz FXMFFJNBIAWGQO-JTQLQIEISA-N 1 0 395.308 2.543 20 0 GFADRO O=C(c1cnn(-c2ccccc2)c1Br)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000782170011 657109448 /nfs/dbraw/zinc/10/94/48/657109448.db2.gz PBJGQZZTJUVWDE-OAHLLOKOSA-N 1 0 389.297 2.945 20 0 GFADRO CC[C@@H](CO)[NH+]1CCN(C(=S)Nc2cccc(OC(F)(F)F)c2)CC1 ZINC000783740527 657257679 /nfs/dbraw/zinc/25/76/79/657257679.db2.gz KZFSFPJWKUQIKV-ZDUSSCGKSA-N 1 0 377.432 2.671 20 0 GFADRO COC1CC[NH+](CCNC(=S)Nc2cccc(OC(F)(F)F)c2)CC1 ZINC000783743351 657257735 /nfs/dbraw/zinc/25/77/35/657257735.db2.gz GUYLDOPSIWRRHK-UHFFFAOYSA-N 1 0 377.432 2.982 20 0 GFADRO COc1cc(Br)ccc1CCCN1CC[NH+](CCCCO)CC1 ZINC000784189739 657294823 /nfs/dbraw/zinc/29/48/23/657294823.db2.gz YWFXRGCTIVZZHA-UHFFFAOYSA-N 1 0 385.346 2.780 20 0 GFADRO CC[C@](C)(CC(=O)OC)[NH2+]C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000784339589 657302485 /nfs/dbraw/zinc/30/24/85/657302485.db2.gz MQVRGNFFHHMUQB-XJKSGUPXSA-N 1 0 392.265 2.649 20 0 GFADRO C[C@H]1CN(Cc2cccc(C[NH2+]Cc3cc(Br)nn3C)c2)CCO1 ZINC000785432809 657364015 /nfs/dbraw/zinc/36/40/15/657364015.db2.gz CAJSOQCXBOVDOP-AWEZNQCLSA-N 1 0 393.329 2.693 20 0 GFADRO COC1CC[NH+](C2(CNCc3cc(Br)nn3C)CCCC2)CC1 ZINC000785463212 657365994 /nfs/dbraw/zinc/36/59/94/657365994.db2.gz QVIHPNYJKKLVBF-UHFFFAOYSA-N 1 0 385.350 2.696 20 0 GFADRO COC(=O)c1ccc(CNC(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)c(Br)c1 ZINC000785581757 657376869 /nfs/dbraw/zinc/37/68/69/657376869.db2.gz UYJUFVCGVTWNFM-RISCZKNCSA-N 1 0 398.301 2.518 20 0 GFADRO COc1cc(C(=O)NC[C@H](c2ccccc2)[NH+](C)C)cnc1Br ZINC000788137467 657657299 /nfs/dbraw/zinc/65/72/99/657657299.db2.gz WZQGEFALSUIIFC-CQSZACIVSA-N 1 0 378.270 2.885 20 0 GFADRO CC(C)[C@@H](C[NH2+][C@H](C)c1nc(Br)ccc1F)N1CCN(C)CC1 ZINC000788520648 657736784 /nfs/dbraw/zinc/73/67/84/657736784.db2.gz SQBVKDQGAQIORC-UKRRQHHQSA-N 1 0 387.341 2.906 20 0 GFADRO CC[NH+]1CCC(N(C)S(=O)(=O)c2sc(C(=O)OC)c(Cl)c2C)CC1 ZINC000788587014 657747242 /nfs/dbraw/zinc/74/72/42/657747242.db2.gz BEGCHYFIAGVDTJ-UHFFFAOYSA-N 1 0 394.946 2.601 20 0 GFADRO COc1nc(Br)ccc1NC(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000789383468 657846244 /nfs/dbraw/zinc/84/62/44/657846244.db2.gz SAFQHTYOPAVOSH-LBPRGKRZSA-N 1 0 383.290 2.945 20 0 GFADRO COCC[N@H+](C)CCOc1cccc(CNC(=O)c2nc(Cl)cs2)c1 ZINC000789929920 657900539 /nfs/dbraw/zinc/90/05/39/657900539.db2.gz ZGTCQNMNYJQMMK-UHFFFAOYSA-N 1 0 383.901 2.684 20 0 GFADRO O=c1c2cc(Cl)ncc2ncn1Cc1cn2cc(Br)ccc2n1 ZINC000790274155 657945781 /nfs/dbraw/zinc/94/57/81/657945781.db2.gz YURVPVXABHDJAF-UHFFFAOYSA-N 1 0 390.628 2.903 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)c2nc(Br)ccc2Br)CC[N@@H+]1C ZINC000790675259 658011947 /nfs/dbraw/zinc/01/19/47/658011947.db2.gz VXDCMQMIZIUKMO-BDAKNGLRSA-N 1 0 391.107 2.819 20 0 GFADRO C[C@H](NC(=O)Cc1cccnc1Br)C1([NH+]2CCOCC2)CCCC1 ZINC000791374932 658088609 /nfs/dbraw/zinc/08/86/09/658088609.db2.gz VWPZYGYAOIROOI-AWEZNQCLSA-N 1 0 396.329 2.536 20 0 GFADRO CN(Cn1c(=O)oc2cc(F)c(Br)cc21)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000792704758 658313915 /nfs/dbraw/zinc/31/39/15/658313915.db2.gz DNDOOTBQCSVHTB-LLVKDONJSA-N 1 0 384.249 2.622 20 0 GFADRO C[C@@]12CC[N@H+](CCC(=O)NC(=O)NCc3ccccc3)C[C@@H]1C2(Cl)Cl ZINC000792897945 658326762 /nfs/dbraw/zinc/32/67/62/658326762.db2.gz GUJQPRIERMQPJU-WMLDXEAASA-N 1 0 384.307 2.918 20 0 GFADRO CO[C@H]1CCC[C@@H]([NH2+]CCOc2ccc(S(=O)(=O)C(F)(F)F)cc2)C1 ZINC000793029065 658348836 /nfs/dbraw/zinc/34/88/36/658348836.db2.gz NUBUMEVNMGRWJS-OCCSQVGLSA-N 1 0 381.416 2.906 20 0 GFADRO COC(=O)[C@]12C[N@H+](Cc3c(Cl)cccc3OC(F)F)C[C@H]1COCC2 ZINC000793344247 658387338 /nfs/dbraw/zinc/38/73/38/658387338.db2.gz FCHWQCMYSFJVAF-APPDUMDISA-N 1 0 375.799 2.953 20 0 GFADRO C[C@H](C[C@@H]1CCOC1)[NH2+]CC(=O)Nc1ccc(I)cc1 ZINC000793576817 658406478 /nfs/dbraw/zinc/40/64/78/658406478.db2.gz ZDKANLPBLKWMOR-NEPJUHHUSA-N 1 0 388.249 2.634 20 0 GFADRO Cc1nc(SC(F)F)sc1CC(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000793616686 658417556 /nfs/dbraw/zinc/41/75/56/658417556.db2.gz ZBAVLDOLFUYFAG-AWEZNQCLSA-N 1 0 381.539 2.862 20 0 GFADRO C[C@H](CNC(=O)C(=O)N[C@@H](C)c1ccc(Br)cc1)[NH+]1CCCCC1 ZINC000793710882 658430157 /nfs/dbraw/zinc/43/01/57/658430157.db2.gz VCYKVNJHKKPFOR-KGLIPLIRSA-N 1 0 396.329 2.617 20 0 GFADRO O=C(Nc1cccc(C[N@H+]2CC[C@H](O)C2)c1)c1ccnc(Br)c1 ZINC000794589865 658571368 /nfs/dbraw/zinc/57/13/68/658571368.db2.gz BSXKDCAVECBYML-HNNXBMFYSA-N 1 0 376.254 2.663 20 0 GFADRO C[C@H]1OCC[C@@]12C[N@H+](Cn1ccc(=O)c3cccc(Br)c31)CCO2 ZINC000794662698 658593643 /nfs/dbraw/zinc/59/36/43/658593643.db2.gz OXLDRGSUILTNDP-FZKQIMNGSA-N 1 0 393.281 2.601 20 0 GFADRO C[C@@H]([NH2+]C1CCC(C)(O)CC1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000794799894 658615174 /nfs/dbraw/zinc/61/51/74/658615174.db2.gz AGSUFZOBACBGHV-SBTGLGLWSA-N 1 0 381.325 2.985 20 0 GFADRO C[C@H](CCO)[NH2+]C[C@H]1CCCN1Cc1ccc(I)cc1 ZINC000794842648 658623403 /nfs/dbraw/zinc/62/34/03/658623403.db2.gz RSDQEONEZCJJDC-CZUORRHYSA-N 1 0 388.293 2.616 20 0 GFADRO Ic1cnc(C[NH2+]CCN2CCc3ccccc32)s1 ZINC000796284612 658910148 /nfs/dbraw/zinc/91/01/48/658910148.db2.gz XRJNXXVBPLLNLO-UHFFFAOYSA-N 1 0 385.274 2.900 20 0 GFADRO COC(=O)N1CCC(C[NH2+]Cc2cc(Br)cc3c2OCC3)CC1 ZINC000796499990 658920658 /nfs/dbraw/zinc/92/06/58/658920658.db2.gz JSMSIMUYXZKJDU-UHFFFAOYSA-N 1 0 383.286 2.952 20 0 GFADRO Cc1nn(C)c2nc(Cl)c(C[NH2+]CCn3cc(Br)cn3)cc12 ZINC000796511794 658921136 /nfs/dbraw/zinc/92/11/36/658921136.db2.gz AHRXLJYUCHJOFN-UHFFFAOYSA-N 1 0 383.681 2.679 20 0 GFADRO CCc1nnc(NC(=O)[C@@H](C)[C@H](C)[NH2+]Cc2c(Cl)nc(Cl)n2C)s1 ZINC000796528208 658922341 /nfs/dbraw/zinc/92/23/41/658922341.db2.gz FCHYXDADLCNVQX-YUMQZZPRSA-N 1 0 391.328 2.894 20 0 GFADRO COc1c(C)cc([C@H](C)[NH2+]C2CCN(CCS(C)(=O)=O)CC2)cc1Cl ZINC000796758872 658937617 /nfs/dbraw/zinc/93/76/17/658937617.db2.gz HDXZSPBDWDOEGY-AWEZNQCLSA-N 1 0 388.961 2.817 20 0 GFADRO O=C(C[NH2+][C@@H]1CCCc2n[nH]cc21)Nc1ccc(I)cc1 ZINC000796993555 658959482 /nfs/dbraw/zinc/95/94/82/658959482.db2.gz IFSDGFOAYPZHFI-CYBMUJFWSA-N 1 0 396.232 2.620 20 0 GFADRO CCOC(=O)C(F)(F)[C@H]1CCC[C@@H]([NH2+]CC2(S(C)(=O)=O)CCCC2)C1 ZINC000797102144 658979430 /nfs/dbraw/zinc/97/94/30/658979430.db2.gz OFAGKODTRSEQSF-UONOGXRCSA-N 1 0 381.485 2.691 20 0 GFADRO C[C@H](C[C@H](C)NC(=O)OC(C)(C)C)[NH2+]CCn1cc(Br)cn1 ZINC000797115369 658982533 /nfs/dbraw/zinc/98/25/33/658982533.db2.gz CYESTHSXCFKSIN-NEPJUHHUSA-N 1 0 375.311 2.927 20 0 GFADRO O=C1N=NCN1C1CC[NH+](CC2=Cc3cc(Br)ccc3OC2)CC1 ZINC000798183798 659080204 /nfs/dbraw/zinc/08/02/04/659080204.db2.gz SYTHMYJNLXKODS-UHFFFAOYSA-N 1 0 391.269 2.859 20 0 GFADRO COCCNc1nn(CN2CCC[C@@H]2[C@@H]2C[C@@H](C)CC[C@H]2O)c(=S)s1 ZINC000799157184 659169167 /nfs/dbraw/zinc/16/91/67/659169167.db2.gz QCIWBFFUMGCMCV-BYNSBNAKSA-N 1 0 386.587 2.951 20 0 GFADRO Cc1ccc(/C=C/C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)c(Br)c1 ZINC000799742932 659220223 /nfs/dbraw/zinc/22/02/23/659220223.db2.gz OGHGEMBQEHJQBF-BQYQJAHWSA-N 1 0 394.357 2.913 20 0 GFADRO CCC[NH+]1CCC(NC(=O)NC[C@H](O)c2cccc(Br)c2)CC1 ZINC000799857582 659236891 /nfs/dbraw/zinc/23/68/91/659236891.db2.gz DEODUCSAUMUODE-INIZCTEOSA-N 1 0 384.318 2.656 20 0 GFADRO CC[NH+](CC)CCCOC(=O)[C@@H](C)NC(=O)c1ccc(Br)s1 ZINC000800142244 659276001 /nfs/dbraw/zinc/27/60/01/659276001.db2.gz QAWBTDQCOGSZTC-LLVKDONJSA-N 1 0 391.331 2.904 20 0 GFADRO C[C@H](CS(=O)(=O)c1ccccc1)[NH2+]C[C@H](O)c1cccc(Br)c1 ZINC000800495830 659312851 /nfs/dbraw/zinc/31/28/51/659312851.db2.gz HBUGETASMUWGSY-DYVFJYSZSA-N 1 0 398.322 2.935 20 0 GFADRO Cc1nn(C)c(Br)c1C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000800827063 659333560 /nfs/dbraw/zinc/33/35/60/659333560.db2.gz QOXWSYPZVVJBMO-UHFFFAOYSA-N 1 0 391.313 2.885 20 0 GFADRO CCC[NH+]1CCC(CNS(=O)(=O)c2cc3c(cc2Cl)CCC3=O)CC1 ZINC000800905383 659346126 /nfs/dbraw/zinc/34/61/26/659346126.db2.gz WXNZODSVZAGMJE-UHFFFAOYSA-N 1 0 384.929 2.869 20 0 GFADRO CCC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2cc3c(cc2Cl)CCC3=O)C1 ZINC000800918838 659348710 /nfs/dbraw/zinc/34/87/10/659348710.db2.gz JGDFUUZAWYAGDO-ZDUSSCGKSA-N 1 0 384.929 2.821 20 0 GFADRO Cc1nn(C)c(Br)c1C(=O)N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000800937709 659354386 /nfs/dbraw/zinc/35/43/86/659354386.db2.gz RGINZGZRFOFHJC-YPMHNXCESA-N 1 0 383.334 2.874 20 0 GFADRO CC(C)(C)OC(=O)N1CCN([C@@H](C[NH2+][C@H]2CCSC2)C(F)(F)F)CC1 ZINC000800992417 659362177 /nfs/dbraw/zinc/36/21/77/659362177.db2.gz IPGPUSIZFPFKIK-STQMWFEESA-N 1 0 383.480 2.565 20 0 GFADRO Cc1ccc([C@@H](CNC(=O)c2c(C)nn(C)c2Br)[NH+]2CCCC2)o1 ZINC000801090500 659367232 /nfs/dbraw/zinc/36/72/32/659367232.db2.gz HAJXTHCSZMSGTI-CYBMUJFWSA-N 1 0 395.301 2.959 20 0 GFADRO Cc1nn(C)c(Br)c1C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000801099505 659368496 /nfs/dbraw/zinc/36/84/96/659368496.db2.gz REXBZARBRQYGLC-TZMCWYRMSA-N 1 0 381.318 2.580 20 0 GFADRO CC1CC[NH+](CCNC(=O)NC[C@@H](O)c2cccc(Br)c2)CC1 ZINC000801744752 659422238 /nfs/dbraw/zinc/42/22/38/659422238.db2.gz HHIRRNMGVOPDSZ-MRXNPFEDSA-N 1 0 384.318 2.514 20 0 GFADRO C[C@H](CNC(=O)NC[C@@H](O)c1cccc(Br)c1)[NH+]1CCC(C)CC1 ZINC000801754235 659422834 /nfs/dbraw/zinc/42/28/34/659422834.db2.gz BKHOCYHCCDFNRD-RHSMWYFYSA-N 1 0 398.345 2.902 20 0 GFADRO NC(=O)[C@H](OC(=O)C1CC[NH+](C2CC2)CC1)c1ccc(Br)cc1F ZINC000801870681 659432481 /nfs/dbraw/zinc/43/24/81/659432481.db2.gz CEGSWZIXWYLQFD-OAHLLOKOSA-N 1 0 399.260 2.532 20 0 GFADRO CC1(C(=O)OC2CC[NH+](CCOc3cccc(Br)c3)CC2)COC1 ZINC000802220353 659457382 /nfs/dbraw/zinc/45/73/82/659457382.db2.gz JQMLRWJBCOJGPY-UHFFFAOYSA-N 1 0 398.297 2.872 20 0 GFADRO C[N@@H+]1CCC[C@@H]2CN(CN3Cc4ccc(Br)cc4C3=O)CC[C@@H]21 ZINC000802732745 659499882 /nfs/dbraw/zinc/49/98/82/659499882.db2.gz HTAIKPQDACSHDI-PBHICJAKSA-N 1 0 378.314 2.779 20 0 GFADRO CC(C)(C)Oc1nc(NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)ncc1Br ZINC000804396458 659642575 /nfs/dbraw/zinc/64/25/75/659642575.db2.gz IKUXLVPIYVBPGF-VXGBXAGGSA-N 1 0 385.306 2.692 20 0 GFADRO Brc1cnc(Br)c(NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c1 ZINC000804396175 659642730 /nfs/dbraw/zinc/64/27/30/659642730.db2.gz DACZBEQXCLNYQU-MNOVXSKESA-N 1 0 391.107 2.882 20 0 GFADRO CCC[N@@H+]1CCC[C@H]1CNC(=O)/C=C\c1ccc(I)o1 ZINC000804777357 659683048 /nfs/dbraw/zinc/68/30/48/659683048.db2.gz ZEQFLAWJVNHUMY-VFFGBVLKSA-N 1 0 388.249 2.888 20 0 GFADRO O=S(=O)(NC1CC[NH+](C2CCCCC2)CC1)c1cnc(Cl)c(F)c1 ZINC000805025364 659719857 /nfs/dbraw/zinc/71/98/57/659719857.db2.gz QYIRFDRMRNZZDT-UHFFFAOYSA-N 1 0 375.897 2.950 20 0 GFADRO COc1nc(Br)ccc1NC(=O)N1CC[C@@H]([NH+]2CCCC2)[C@@H]1C ZINC000806451961 659832474 /nfs/dbraw/zinc/83/24/74/659832474.db2.gz WCUCHVSBFYCPTR-WCQYABFASA-N 1 0 383.290 2.943 20 0 GFADRO CC(C)(C)OC(=O)CS(=O)(=O)CC[NH2+][C@@H]1CCSc2c(F)cccc21 ZINC000806626262 659838075 /nfs/dbraw/zinc/83/80/75/659838075.db2.gz QEMURJQXRFDIID-CQSZACIVSA-N 1 0 389.514 2.709 20 0 GFADRO CNC(=O)c1cccc(NC(=O)NC[C@@H](C)[NH+]2CCCCC2)c1Br ZINC000806735724 659840702 /nfs/dbraw/zinc/84/07/02/659840702.db2.gz MFOSWUWTOAVTKL-GFCCVEGCSA-N 1 0 397.317 2.805 20 0 GFADRO C[C@]12CCN(C(=O)NC3CC[NH+](C[C@@H]4CCCO4)CC3)C[C@H]1C2(Cl)Cl ZINC000806814021 659842429 /nfs/dbraw/zinc/84/24/29/659842429.db2.gz HFOWUOBWUNIBKE-UXLLHSPISA-N 1 0 390.355 2.855 20 0 GFADRO C[N@H+](Cc1ccccc1)C1CN(C(=O)N[C@@H]2CC[C@@H]3SCCS[C@H]23)C1 ZINC000807040222 659846614 /nfs/dbraw/zinc/84/66/14/659846614.db2.gz OHLOELZFHFXOPB-FGTMMUONSA-N 1 0 377.579 2.892 20 0 GFADRO C[NH+]1CCN(c2ccc(NC(=O)c3ncsc3Br)cc2)CC1 ZINC000808012736 659872969 /nfs/dbraw/zinc/87/29/69/659872969.db2.gz REKYQTUECTXSAA-UHFFFAOYSA-N 1 0 381.299 2.910 20 0 GFADRO C[NH+](C)C[C@H](CNC(=O)CSc1cccc[n+]1[O-])c1ccc(Cl)cc1 ZINC000808113234 659877448 /nfs/dbraw/zinc/87/74/48/659877448.db2.gz BTBHNYQHZFKUDR-HNNXBMFYSA-N 1 0 379.913 2.527 20 0 GFADRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1Cn1c2cc(Br)ccc2oc1=O ZINC000808193167 659881217 /nfs/dbraw/zinc/88/12/17/659881217.db2.gz VBDUMFQAAWTAFR-JSGCOSHPSA-N 1 0 380.286 2.873 20 0 GFADRO O[C@H]1c2ccccc2OC[C@@H]1[NH2+]Cc1cccc(I)c1 ZINC000808454759 659894866 /nfs/dbraw/zinc/89/48/66/659894866.db2.gz SPULJWRRLMYJSP-HOCLYGCPSA-N 1 0 381.213 2.875 20 0 GFADRO Cn1nc(Br)cc1-c1nc(-c2ccc(OCC[NH+](C)C)cc2)no1 ZINC000809301991 659921962 /nfs/dbraw/zinc/92/19/62/659921962.db2.gz JKMNTGDAFQGHOO-UHFFFAOYSA-N 1 0 392.257 2.840 20 0 GFADRO COC(=O)CN1CCC([NH2+]CC[C@@H](O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000809757752 659938289 /nfs/dbraw/zinc/93/82/89/659938289.db2.gz WEXXQZUZSDHGBL-MRXNPFEDSA-N 1 0 375.296 2.644 20 0 GFADRO Cn1nnc(Br)c1C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000810106629 659962480 /nfs/dbraw/zinc/96/24/80/659962480.db2.gz ONQNIQWYLCODRF-UHFFFAOYSA-N 1 0 378.274 2.816 20 0 GFADRO COc1ccc(C[C@@](C)(O)C[NH2+]Cc2c(Cl)nc(Cl)n2C)cc1OC ZINC000810174325 659965254 /nfs/dbraw/zinc/96/52/54/659965254.db2.gz RRICQMFNGNTHHO-QGZVFWFLSA-N 1 0 388.295 2.827 20 0 GFADRO C[C@H]([NH2+]C[C@@]1(N2CCOCC2)CCSC1)c1ccc(Br)nc1 ZINC000810212953 659966613 /nfs/dbraw/zinc/96/66/13/659966613.db2.gz HYZGLYDRBFRQDS-BBRMVZONSA-N 1 0 386.359 2.703 20 0 GFADRO CC[NH+](CC)CCN(CCOC)C(=O)c1cc(Cl)ncc1Br ZINC000810494807 659974860 /nfs/dbraw/zinc/97/48/60/659974860.db2.gz BBLGXEHTQWAWQO-UHFFFAOYSA-N 1 0 392.725 2.928 20 0 GFADRO Nc1nc(N2CCC[C@H](OC(=O)c3ccc(F)c(Br)c3)C2)cc[nH+]1 ZINC000810761661 659984997 /nfs/dbraw/zinc/98/49/97/659984997.db2.gz PDRDZOHLROBYSM-NSHDSACASA-N 1 0 395.232 2.786 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3cnn(-c4ccc(Br)cc4)c3)C[C@@H]2C1 ZINC000812335990 660024772 /nfs/dbraw/zinc/02/47/72/660024772.db2.gz YDAMDGRMANCNMD-HIFRSBDPSA-N 1 0 389.297 2.659 20 0 GFADRO CCC[N@H+](CC)C[C@H](C)NC(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000812393006 660026091 /nfs/dbraw/zinc/02/60/91/660026091.db2.gz CMZDDLRJXQWELM-LBPRGKRZSA-N 1 0 380.432 2.830 20 0 GFADRO C[C@H]([NH2+]Cc1cc(Br)nn1C)c1ccc(N2CCCNC2=O)cc1 ZINC000812800357 660034922 /nfs/dbraw/zinc/03/49/22/660034922.db2.gz RGUBODSVDRPZTH-LBPRGKRZSA-N 1 0 392.301 2.953 20 0 GFADRO CC[NH+](CC)CCOc1ccccc1NC(=O)c1c(Br)nnn1C ZINC000812855952 660035723 /nfs/dbraw/zinc/03/57/23/660035723.db2.gz KKAMNNZDYXKODT-UHFFFAOYSA-N 1 0 396.289 2.551 20 0 GFADRO C[NH+]1CCC(CC(=O)NC[C@@](O)(c2ccc(Cl)cc2)C(F)(F)F)CC1 ZINC000813474660 660055170 /nfs/dbraw/zinc/05/51/70/660055170.db2.gz YRXOERKXZSGKRO-MRXNPFEDSA-N 1 0 378.822 2.938 20 0 GFADRO CS[C@@H]1CN(C[C@](C)(O)c2ccc(Br)cc2F)C[C@@H]1[NH+](C)C ZINC000815079042 660110179 /nfs/dbraw/zinc/11/01/79/660110179.db2.gz LKWPNBPADUZMAQ-XHSDSOJGSA-N 1 0 391.350 2.773 20 0 GFADRO CN(Cc1ccnc(Br)c1)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000815097020 660111778 /nfs/dbraw/zinc/11/17/78/660111778.db2.gz ZLBGKQKMTUOBPT-IBGZPJMESA-N 1 0 390.325 2.913 20 0 GFADRO Cn1ncc(C(=O)NC[C@@H](C[NH+](C)C)c2ccc(Cl)cc2)c1Br ZINC000816590643 660161908 /nfs/dbraw/zinc/16/19/08/660161908.db2.gz HIMWJJPJJRIDQA-LBPRGKRZSA-N 1 0 399.720 2.911 20 0 GFADRO C[NH+](C)CCN(Cc1ccsc1)S(=O)(=O)c1c(Cl)nc2ccccn21 ZINC000841546722 661295771 /nfs/dbraw/zinc/29/57/71/661295771.db2.gz OVKYZDNHWBBCGI-UHFFFAOYSA-N 1 0 398.941 2.802 20 0 GFADRO C[C@@H]1[C@H](C)C[N@H+](CN2C(=O)C(=O)N(c3ccc(Br)cc3)C2=O)[C@H]1C ZINC000841689273 661308924 /nfs/dbraw/zinc/30/89/24/661308924.db2.gz IUUPIOIFHHSLJN-UTUOFQBUSA-N 1 0 394.269 2.678 20 0 GFADRO O=C(NC[C@@H]1CCCC[NH2+]1)N1CCO[C@H](c2ccccc2Br)C1 ZINC000841920428 661317666 /nfs/dbraw/zinc/31/76/66/661317666.db2.gz FKOZFMLOAMVVBC-BBRMVZONSA-N 1 0 382.302 2.674 20 0 GFADRO O=C(NCC1CC[NH2+]CC1)N1CCO[C@H](c2ccccc2Br)C1 ZINC000841923632 661317675 /nfs/dbraw/zinc/31/76/75/661317675.db2.gz MIWJGTNCTKNAMJ-INIZCTEOSA-N 1 0 382.302 2.532 20 0 GFADRO [NH3+]C1(CNC(=O)NC[C@@H](O)c2ccccc2Br)CCCCCC1 ZINC000841917574 661317769 /nfs/dbraw/zinc/31/77/69/661317769.db2.gz PFTYJTSFIGTRBG-OAHLLOKOSA-N 1 0 384.318 2.833 20 0 GFADRO [NH3+]C[C@H](NC(=O)NC[C@@H](O)c1cccc(Br)c1)C1CCCCC1 ZINC000841939716 661318045 /nfs/dbraw/zinc/31/80/45/661318045.db2.gz JMVUPSLITQCGJY-JKSUJKDBSA-N 1 0 384.318 2.689 20 0 GFADRO CN(C[C@H](O)c1ccccc1Br)C(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000841947740 661318193 /nfs/dbraw/zinc/31/81/93/661318193.db2.gz HNQYADXHMQBUCE-RCBQFDQVSA-N 1 0 384.318 2.641 20 0 GFADRO CN(C[C@H](O)c1ccccc1Br)C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000841989511 661318877 /nfs/dbraw/zinc/31/88/77/661318877.db2.gz YSLPVEXVGWHPFC-HOTGVXAUSA-N 1 0 384.318 2.641 20 0 GFADRO CC[C@H](C)[N@H+](C)CCN1C(=O)[C@H]2Cc3c(Br)cccc3CN2C1=O ZINC000842241018 661329712 /nfs/dbraw/zinc/32/97/12/661329712.db2.gz XHNNMMNPEQZGJI-BLLLJJGKSA-N 1 0 394.313 2.868 20 0 GFADRO [NH3+][C@@H]1CCCO[C@H]1C1CCN(S(=O)(=O)/C=C\c2cccc(Cl)c2)CC1 ZINC000842485566 661341795 /nfs/dbraw/zinc/34/17/95/661341795.db2.gz KSEVLCQZOBHQLV-LPUZSPFPSA-N 1 0 384.929 2.859 20 0 GFADRO [NH3+][C@@H]1CCO[C@H](C2CCN(S(=O)(=O)/C=C\c3ccc(Cl)cc3)CC2)C1 ZINC000842485611 661341981 /nfs/dbraw/zinc/34/19/81/661341981.db2.gz XAFXSWIUKSCDQB-LPUZSPFPSA-N 1 0 384.929 2.859 20 0 GFADRO C[NH2+]C[C@H](C)c1noc([C@H]2CCN(c3ccccc3Br)C2=O)n1 ZINC000842578764 661344141 /nfs/dbraw/zinc/34/41/41/661344141.db2.gz GZSWSFOQYKKBBH-WDEREUQCSA-N 1 0 379.258 2.676 20 0 GFADRO C[NH2+]C[C@H](C)c1noc([C@@H]2CC(=O)N(c3ccccc3Br)C2)n1 ZINC000842579174 661344152 /nfs/dbraw/zinc/34/41/52/661344152.db2.gz LVHHFSHQIJEMMU-WDEREUQCSA-N 1 0 379.258 2.676 20 0 GFADRO O=C(Cc1cccs1)Nc1nc(Cc2nc([C@@H]3CCC[NH2+]3)no2)cs1 ZINC000842640101 661347050 /nfs/dbraw/zinc/34/70/50/661347050.db2.gz HDUICXHRSWJEFP-LBPRGKRZSA-N 1 0 375.479 2.784 20 0 GFADRO O=C(NCCc1nc([C@H]2CCC[NH2+]C2)no1)Nc1ccc(Br)cc1 ZINC000842665204 661347945 /nfs/dbraw/zinc/34/79/45/661347945.db2.gz LGOIQGKKPDRJJH-NSHDSACASA-N 1 0 394.273 2.663 20 0 GFADRO COCCOC1(C[NH2+]Cc2cc(Br)cnc2Cl)CCOCC1 ZINC000842708793 661350318 /nfs/dbraw/zinc/35/03/18/661350318.db2.gz FVLXQFSRWNMPFN-UHFFFAOYSA-N 1 0 393.709 2.799 20 0 GFADRO COC(=O)c1sc(S(=O)(=O)N[C@@](C)(C[NH3+])CC(C)C)c(C)c1Cl ZINC000842723784 661351222 /nfs/dbraw/zinc/35/12/22/661351222.db2.gz ZDWDHZYXOUTXIA-CQSZACIVSA-N 1 0 382.935 2.538 20 0 GFADRO C[C@@H]([NH3+])c1ccc(CNS(=O)(=O)c2cc3c(cc2Cl)CCC3=O)cc1 ZINC000842734098 661351676 /nfs/dbraw/zinc/35/16/76/661351676.db2.gz FYBPQTHZVZIMHL-LLVKDONJSA-N 1 0 378.881 2.967 20 0 GFADRO COc1ccc2nc(Cl)ccc2c1S(=O)(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000842805529 661355479 /nfs/dbraw/zinc/35/54/79/661355479.db2.gz WVBVWMVRDSZKHE-CQSZACIVSA-N 1 0 383.901 2.693 20 0 GFADRO O=S(=O)(/C=C/c1ccc(Br)cc1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000842850137 661357159 /nfs/dbraw/zinc/35/71/59/661357159.db2.gz KYOIIFBWTOGJJJ-HKUPYCBJSA-N 1 0 385.327 2.825 20 0 GFADRO C[C@@H]([NH2+]C[C@H]1CS(=O)(=O)c2ccccc2O1)c1ccc(Br)nc1 ZINC000842882630 661358516 /nfs/dbraw/zinc/35/85/16/661358516.db2.gz CJIXUDBCQRAELG-YPMHNXCESA-N 1 0 397.294 2.730 20 0 GFADRO O=S(=O)(Cc1cc(Cl)ccc1Br)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000842898771 661359457 /nfs/dbraw/zinc/35/94/57/661359457.db2.gz XZBVSTBNSQNLIG-AWEZNQCLSA-N 1 0 393.734 2.760 20 0 GFADRO O=S(=O)(Cc1ccc(Br)cc1Cl)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000842897733 661359526 /nfs/dbraw/zinc/35/95/26/661359526.db2.gz JWMDTGLODXHYCZ-AWEZNQCLSA-N 1 0 393.734 2.760 20 0 GFADRO C[C@@H]([NH3+])C[C@H](C)NC(=O)Nc1cnc(Br)c(Br)c1 ZINC000843042260 661365219 /nfs/dbraw/zinc/36/52/19/661365219.db2.gz QCLRTLAEMZATHS-RQJHMYQMSA-N 1 0 380.084 2.854 20 0 GFADRO O[C@@H](C[NH2+]C[C@@H](O)c1ccccc1Br)COCc1ccccc1 ZINC000843061853 661365506 /nfs/dbraw/zinc/36/55/06/661365506.db2.gz JILNXXGGKNQTBH-MAUKXSAKSA-N 1 0 380.282 2.650 20 0 GFADRO CC(C)COC[C@H](O)C[NH2+]C[C@](C)(O)c1ccc(Br)cc1Cl ZINC000843064356 661365685 /nfs/dbraw/zinc/36/56/85/661365685.db2.gz ADMZNWJQSGDMFI-CJNGLKHVSA-N 1 0 394.737 2.933 20 0 GFADRO CN(C[C@@H](O)C[NH2+]C[C@H](O)c1cc(Cl)cc(Cl)c1)C(=O)OC(C)(C)C ZINC000843079446 661366804 /nfs/dbraw/zinc/36/68/04/661366804.db2.gz BTUAHWUOQFACPH-GJZGRUSLSA-N 1 0 393.311 2.844 20 0 GFADRO OC[C@@H](Cc1ccc(F)cc1)[NH2+]C[C@H](O)c1ccc(F)c(Br)c1 ZINC000843097427 661367643 /nfs/dbraw/zinc/36/76/43/661367643.db2.gz ZEOCJUYAGNVBTA-PBHICJAKSA-N 1 0 386.236 2.954 20 0 GFADRO OC[C@H](C[C@@H](O)c1ccccc1)[NH2+]C[C@H](O)c1ccc(Br)cc1 ZINC000843104085 661368135 /nfs/dbraw/zinc/36/81/35/661368135.db2.gz DIUAIRSSHXZCIF-KSZLIROESA-N 1 0 380.282 2.557 20 0 GFADRO CC(C)(C)[C@H](O)C[C@@H](CO)[NH2+]C[C@](C)(O)c1ccc(Br)cc1F ZINC000843103490 661368140 /nfs/dbraw/zinc/36/81/40/661368140.db2.gz AJRODWMGCCTHSK-MJEQTWJJSA-N 1 0 392.309 2.543 20 0 GFADRO OC[C@H](C[NH2+]C[C@H](O)c1cccc(Br)c1)Cc1ccncc1Cl ZINC000843112700 661368927 /nfs/dbraw/zinc/36/89/27/661368927.db2.gz TXOXRBRFNSMXSU-SJCJKPOMSA-N 1 0 399.716 2.972 20 0 GFADRO OCC1([C@H]([NH2+]C[C@@H](O)c2ccc(Br)cc2)[C@H]2CCCO2)CCC1 ZINC000843114099 661369110 /nfs/dbraw/zinc/36/91/10/661369110.db2.gz CXSKQSUHSUUWSK-BRWVUGGUSA-N 1 0 384.314 2.782 20 0 GFADRO C[C@](O)(C[NH2+][C@@H]1CCCC(F)(F)[C@H]1O)c1ccc(Br)cc1F ZINC000843115625 661369319 /nfs/dbraw/zinc/36/93/19/661369319.db2.gz MWQDSBTYAFEHFX-RDBSUJKOSA-N 1 0 382.220 2.934 20 0 GFADRO Cc1ccc(S(=O)(=O)N2CCC[C@@H](c3nc([C@H]([NH3+])C(C)C)no3)C2)s1 ZINC000843150767 661370934 /nfs/dbraw/zinc/37/09/34/661370934.db2.gz DKGUZVWDNVBFDC-TZMCWYRMSA-N 1 0 384.527 2.664 20 0 GFADRO C[C@@H](Cc1nc(CS(=O)(=O)c2ccc(Cl)cc2)no1)C1CC[NH2+]CC1 ZINC000843198356 661371753 /nfs/dbraw/zinc/37/17/53/661371753.db2.gz WQJJTAWOGGCNGC-LBPRGKRZSA-N 1 0 383.901 2.875 20 0 GFADRO FC(F)(F)COc1ccc(Cl)cc1-c1noc(C[C@H]2C[NH2+]CCO2)n1 ZINC000843205147 661372553 /nfs/dbraw/zinc/37/25/53/661372553.db2.gz ANPZHUCNSFJBAV-JTQLQIEISA-N 1 0 377.750 2.862 20 0 GFADRO [NH3+][C@@H](Cc1nc(COc2ccc(I)cc2)no1)C1CC1 ZINC000843227030 661373916 /nfs/dbraw/zinc/37/39/16/661373916.db2.gz PGNNFIBNQSBABZ-LBPRGKRZSA-N 1 0 385.205 2.533 20 0 GFADRO COC(=O)[C@H]1C[NH2+]CCCN1Cc1ccc(OC)c(SC(F)(F)F)c1 ZINC000843384705 661379124 /nfs/dbraw/zinc/37/91/24/661379124.db2.gz XSHUFQSWSABCFQ-GFCCVEGCSA-N 1 0 378.416 2.644 20 0 GFADRO COc1ccc(Br)cc1[C@H]1CCCN1C(=O)CO[C@@H]1CCC[NH2+]C1 ZINC000843416752 661380631 /nfs/dbraw/zinc/38/06/31/661380631.db2.gz WCCMDIUJDBJKDG-GDBMZVCRSA-N 1 0 397.313 2.890 20 0 GFADRO O=C(CCNC(=O)[C@H]1CCC[NH2+]1)Nc1cccc(Cl)c1SC(F)F ZINC000843419138 661380838 /nfs/dbraw/zinc/38/08/38/661380838.db2.gz CZZAHKSJVOTDNO-LLVKDONJSA-N 1 0 377.844 2.852 20 0 GFADRO COCC[N@H+]1[C@H](C)CN(Cc2nc3ccccn3c2Br)C[C@@H]1C ZINC000843425427 661381103 /nfs/dbraw/zinc/38/11/03/661381103.db2.gz ACLNPUBBBSVBPH-OKILXGFUSA-N 1 0 381.318 2.638 20 0 GFADRO O=C(CO[C@H]1CCC[NH2+]C1)N1CCC(c2cccc(Br)c2)CC1 ZINC000843491647 661383266 /nfs/dbraw/zinc/38/32/66/661383266.db2.gz LYLVEBXRAVCTHV-KRWDZBQOSA-N 1 0 381.314 2.924 20 0 GFADRO O=C(CO[C@@H]1CCC[NH2+]C1)N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000843494314 661383311 /nfs/dbraw/zinc/38/33/11/661383311.db2.gz ASAMRDXNBPERKH-VXGBXAGGSA-N 1 0 377.432 2.637 20 0 GFADRO Cc1cc(N2C[C@H](C(=O)NCCCCCC[NH3+])CC2=O)ccc1Br ZINC000843509000 661383713 /nfs/dbraw/zinc/38/37/13/661383713.db2.gz BAQSJUWDALPULY-CQSZACIVSA-N 1 0 396.329 2.746 20 0 GFADRO COCC[N@H+]1[C@H](C)CN(C(=O)c2c[nH]c3ncc(Br)cc23)C[C@@H]1C ZINC000844025109 661400728 /nfs/dbraw/zinc/40/07/28/661400728.db2.gz WSDFHHSHQZIQHG-TXEJJXNPSA-N 1 0 395.301 2.507 20 0 GFADRO O=C(CO[C@H]1CCC[NH2+]C1)NCCc1csc(-c2ccc(Cl)cc2)n1 ZINC000844204848 661409304 /nfs/dbraw/zinc/40/93/04/661409304.db2.gz VRANAUQMHXIQFN-INIZCTEOSA-N 1 0 379.913 2.891 20 0 GFADRO Cc1cc([C@@H]([NH3+])CC(=O)N2CCC([C@H](O)C(F)(F)F)CC2)cc(Cl)n1 ZINC000844202868 661409460 /nfs/dbraw/zinc/40/94/60/661409460.db2.gz OZLAGXAWOZPYRO-WFASDCNBSA-N 1 0 379.810 2.595 20 0 GFADRO O=C1C=C(c2ccc(Br)cc2)CN1C[N@@H+]1CC[C@H]([C@H]2CCOC2)C1 ZINC000844698514 661435376 /nfs/dbraw/zinc/43/53/76/661435376.db2.gz NIMWWJVSSFROAV-HOTGVXAUSA-N 1 0 391.309 2.991 20 0 GFADRO Brc1ccn(CN2CCO[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC000844726609 661437223 /nfs/dbraw/zinc/43/72/23/661437223.db2.gz CWYMHCUQVGWHDB-DLBZAZTESA-N 1 0 391.313 2.578 20 0 GFADRO O=C(NCCC[C@@H]1CC1(Cl)Cl)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000844976670 661451983 /nfs/dbraw/zinc/45/19/83/661451983.db2.gz LWFHARHXBPTTKP-UKRRQHHQSA-N 1 0 378.344 2.903 20 0 GFADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NCCC[C@H]1CC1(Cl)Cl ZINC000845673581 661488149 /nfs/dbraw/zinc/48/81/49/661488149.db2.gz HJPPUAUUFKGEFR-KGLIPLIRSA-N 1 0 378.344 2.855 20 0 GFADRO CN(C(=O)NCCC[C@H]1CC1(Cl)Cl)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000845675752 661489641 /nfs/dbraw/zinc/48/96/41/661489641.db2.gz KFWIYISSFIBVDY-GOEBONIOSA-N 1 0 391.387 2.770 20 0 GFADRO CC(C)(C)OC(=O)NCCC1CC([NH2+]CCn2cc(Br)cn2)C1 ZINC000845973548 661514107 /nfs/dbraw/zinc/51/41/07/661514107.db2.gz ZBYSIMITWNXUOA-UHFFFAOYSA-N 1 0 387.322 2.929 20 0 GFADRO C[C@]1(CC[NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)C[C@@]1(F)Cl ZINC000846069551 661529408 /nfs/dbraw/zinc/52/94/08/661529408.db2.gz FEHXVWNYQXVONU-STQMWFEESA-N 1 0 399.713 2.891 20 0 GFADRO CN(CCC[N@H+](C)Cc1ccncc1)C(=O)c1ccc(Br)nc1 ZINC000846173136 661534836 /nfs/dbraw/zinc/53/48/36/661534836.db2.gz QINWCWHPNDZURQ-UHFFFAOYSA-N 1 0 377.286 2.833 20 0 GFADRO COc1cc([C@H](C)[NH2+][C@H]2CCN(S(C)(=O)=O)C2)ccc1SC(F)F ZINC000846186695 661537336 /nfs/dbraw/zinc/53/73/36/661537336.db2.gz ZMUHODYTIQDJRP-JQWIXIFHSA-N 1 0 380.482 2.694 20 0 GFADRO Cc1cc(Br)ncc1NC(=O)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000846307092 661544290 /nfs/dbraw/zinc/54/42/90/661544290.db2.gz NALZSHZHTABQRZ-GUTXKFCHSA-N 1 0 397.317 2.903 20 0 GFADRO Cc1n[nH]c(C(=O)N[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)c1Br ZINC000846591880 661559033 /nfs/dbraw/zinc/55/90/33/661559033.db2.gz HPUZYWQRIYGSNK-KRWDZBQOSA-N 1 0 377.286 2.875 20 0 GFADRO Cc1cc(C)c(C(=O)NOC2CC[NH+](C)CC2)cc1I ZINC000846650091 661560542 /nfs/dbraw/zinc/56/05/42/661560542.db2.gz QULOQCRBNBXJTC-UHFFFAOYSA-N 1 0 388.249 2.664 20 0 GFADRO CC1(C)C(=O)N[C@H]1C1CC[NH+](C[C@H](O)c2ccc(Br)cc2)CC1 ZINC000846928410 661570796 /nfs/dbraw/zinc/57/07/96/661570796.db2.gz FWEADPNFQYECOV-HOTGVXAUSA-N 1 0 381.314 2.719 20 0 GFADRO Clc1cccc(N2CC[NH+](C3CCN(Cc4cnsn4)CC3)CC2)c1 ZINC000846986175 661572506 /nfs/dbraw/zinc/57/25/06/661572506.db2.gz XZOJRSWLBAGBFT-UHFFFAOYSA-N 1 0 377.945 2.978 20 0 GFADRO O=C(NC[C@@H](O)c1cccc(Br)c1)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000847446912 661592791 /nfs/dbraw/zinc/59/27/91/661592791.db2.gz KWACPYSKUWQPNW-IXDOHACOSA-N 1 0 396.329 2.799 20 0 GFADRO COc1ccc(C(=O)OCC[C@H]2CC[N@H+](C)C2)c(I)c1 ZINC000847822824 661611900 /nfs/dbraw/zinc/61/19/00/661611900.db2.gz BIXQYBIOZVWFHF-LLVKDONJSA-N 1 0 389.233 2.798 20 0 GFADRO C[N@@H+]1CC[C@@H](CCOC(=O)[C@@H]2CC(=O)N(c3cccc(Br)c3)C2)C1 ZINC000847824015 661612350 /nfs/dbraw/zinc/61/23/50/661612350.db2.gz JRROQSMJXGCQJH-UONOGXRCSA-N 1 0 395.297 2.687 20 0 GFADRO C[C@H]1C[N@H+](CCCNC(=O)c2cnc(Cl)c(Br)c2)CCCO1 ZINC000847920050 661616540 /nfs/dbraw/zinc/61/65/40/661616540.db2.gz BJUNXQXOHLQGSQ-NSHDSACASA-N 1 0 390.709 2.728 20 0 GFADRO CCC(C)(C)[NH+]1CCN(Cn2nc(C(=O)OC)c(Br)c2C)CC1 ZINC000848495831 661656332 /nfs/dbraw/zinc/65/63/32/661656332.db2.gz QHZAWFQASHUQIE-UHFFFAOYSA-N 1 0 387.322 2.504 20 0 GFADRO O=C(NCc1noc([C@H]2C[C@@]23CCC[NH2+]C3)n1)c1ccc(Br)cc1 ZINC000848630895 661668867 /nfs/dbraw/zinc/66/88/67/661668867.db2.gz AMNRQDONWUYVHI-CXAGYDPISA-N 1 0 391.269 2.619 20 0 GFADRO COC(=O)[C@H]1[C@@H]2C[N@@H+](Cc3cn(-c4ccccc4Br)nc3C)C[C@@H]21 ZINC000848912674 661688867 /nfs/dbraw/zinc/68/88/67/661688867.db2.gz IKYDDQRYZVNISS-HALDLXJZSA-N 1 0 390.281 2.794 20 0 GFADRO Cc1cccc([C@@H]2C(=O)NCCN2C[C@H](O)c2ccc(Br)cc2)c1 ZINC000848950804 661689880 /nfs/dbraw/zinc/68/98/80/661689880.db2.gz KRDMKSHOFJBACT-ZWKOTPCHSA-N 1 0 389.293 2.964 20 0 GFADRO CCOCCCNC(=[NH2+])NCc1ccc(I)c(Cl)c1 ZINC000848988029 661690027 /nfs/dbraw/zinc/69/00/27/661690027.db2.gz ZLRRNQMJLOBLTF-UHFFFAOYSA-N 1 0 395.672 2.985 20 0 GFADRO COc1ccc(NC(=[NH2+])NCc2cccc(NS(C)(=O)=O)c2)cc1Cl ZINC000849056728 661690386 /nfs/dbraw/zinc/69/03/86/661690386.db2.gz IIGNEEREEIKKLO-UHFFFAOYSA-N 1 0 382.873 2.857 20 0 GFADRO CCOCCOC[C@H](O)CNC(=[NH2+])N[C@H](C)c1ccc(Cl)cc1Cl ZINC000849092934 661691509 /nfs/dbraw/zinc/69/15/09/661691509.db2.gz MCGFPGDEJQNHCF-DGCLKSJQSA-N 1 0 378.300 2.582 20 0 GFADRO CCOCCOC[C@@H](O)CNC(=[NH2+])N[C@@H](C)c1ccc(Cl)cc1Cl ZINC000849092932 661691627 /nfs/dbraw/zinc/69/16/27/661691627.db2.gz MCGFPGDEJQNHCF-AAEUAGOBSA-N 1 0 378.300 2.582 20 0 GFADRO COc1ccc(C[C@H](CO)CNC(=[NH2+])NCC2CCC2)cc1Br ZINC000849115286 661693143 /nfs/dbraw/zinc/69/31/43/661693143.db2.gz NMDMKLFZEYBDAB-AWEZNQCLSA-N 1 0 384.318 2.523 20 0 GFADRO COc1ccc(Br)cc1C[C@@H](CO)CNC(=[NH2+])N1CCC[C@@H](C)C1 ZINC000849116251 661693275 /nfs/dbraw/zinc/69/32/75/661693275.db2.gz IGCBENUSZXPRPU-ZIAGYGMSSA-N 1 0 398.345 2.865 20 0 GFADRO CN(C)C(=O)CN(CC[NH+](C)C)C(=S)Nc1cc(Cl)cc(Cl)c1 ZINC000849292697 661703600 /nfs/dbraw/zinc/70/36/00/661703600.db2.gz HWGMYMURGOCBJH-UHFFFAOYSA-N 1 0 377.341 2.642 20 0 GFADRO C[C@H](CN1C(=O)N[C@H](c2ccccc2Br)C1=O)C[NH+]1CCCC1 ZINC000849351279 661708234 /nfs/dbraw/zinc/70/82/34/661708234.db2.gz FBYZLPJZUYOCAM-SWLSCSKDSA-N 1 0 380.286 2.774 20 0 GFADRO Cn1cc([C@H]2C[N@H+](C)CC[C@H]2C(=O)Nc2cccc(Br)c2)cn1 ZINC000849483606 661733508 /nfs/dbraw/zinc/73/35/08/661733508.db2.gz ZERRCNOGKGNOEZ-HZPDHXFCSA-N 1 0 377.286 2.857 20 0 GFADRO Cc1c(Br)cncc1C[NH2+]CC(C)(C)[C@H]1COCC12OCCO2 ZINC000850325027 661770370 /nfs/dbraw/zinc/77/03/70/661770370.db2.gz QRUOQZGEUKAQRU-OAHLLOKOSA-N 1 0 385.302 2.658 20 0 GFADRO O=[S@@](CC[NH2+]Cc1cc(Br)cc2c1OCC2)CC(F)(F)F ZINC000850348077 661770887 /nfs/dbraw/zinc/77/08/87/661770887.db2.gz FCXUKPCFQHVPIQ-NRFANRHFSA-N 1 0 386.233 2.785 20 0 GFADRO CC(C)(C)OC(=O)NCC1CCC([NH2+]CC[S@@](=O)CC(F)(F)F)CC1 ZINC000850350928 661771382 /nfs/dbraw/zinc/77/13/82/661771382.db2.gz WEJHNDFGFVMLPD-CTSUXMPTSA-N 1 0 386.480 2.971 20 0 GFADRO COC[C@@H]([NH2+]Cc1ccccc1I)C1CCOCC1 ZINC000850351466 661771387 /nfs/dbraw/zinc/77/13/87/661771387.db2.gz NBAWJUMEKVNJFV-OAHLLOKOSA-N 1 0 375.250 2.822 20 0 GFADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]CC[C@@]1(C)CC1(F)F ZINC000850380512 661773763 /nfs/dbraw/zinc/77/37/63/661773763.db2.gz HPZVXEPQLRPREE-RISCZKNCSA-N 1 0 381.876 2.730 20 0 GFADRO C[C@H]([NH2+]C[C@H](O)CS(=O)(=O)c1cccs1)c1ccc2c(c1)CCCO2 ZINC000850448900 661776827 /nfs/dbraw/zinc/77/68/27/661776827.db2.gz WSTLKGHOJWIKKE-BBRMVZONSA-N 1 0 381.519 2.559 20 0 GFADRO COC[C@H]([NH2+][C@@H](C)c1ccc(S(=O)(=O)C(F)F)cc1)C1CCOCC1 ZINC000850492088 661778708 /nfs/dbraw/zinc/77/87/08/661778708.db2.gz LCXGFCWUWDUUHS-LRDDRELGSA-N 1 0 377.453 2.775 20 0 GFADRO C[C@@H]([NH2+]CC[S@@](=O)CC(F)(F)F)c1ccc(N2CCCOC2=O)cc1 ZINC000850495318 661779554 /nfs/dbraw/zinc/77/95/54/661779554.db2.gz ZSXNHBAMXAOVTO-XELLLNAOSA-N 1 0 378.416 2.995 20 0 GFADRO CCOC(=O)C(F)(F)[C@H]1CC[C@H]([NH2+]CC2(S(C)(=O)=O)CCCCC2)C1 ZINC000850531309 661781051 /nfs/dbraw/zinc/78/10/51/661781051.db2.gz IXZCKKXYPXHPRM-KBPBESRZSA-N 1 0 381.485 2.691 20 0 GFADRO O=S(=O)(c1ccc(Cl)nc1Cl)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000850589241 661782657 /nfs/dbraw/zinc/78/26/57/661782657.db2.gz KCIYJMHOYUDRLP-GFCCVEGCSA-N 1 0 378.325 2.789 20 0 GFADRO Cc1nc(Cl)ccc1S(=O)(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000850590716 661782842 /nfs/dbraw/zinc/78/28/42/661782842.db2.gz UVPDGDTUWQUHQP-HUUCEWRRSA-N 1 0 383.876 2.607 20 0 GFADRO CC(C)[N@@H+]1CCO[C@H](COC(=O)[C@@]2(C)CC2(Br)Br)C1 ZINC000850943032 661798523 /nfs/dbraw/zinc/79/85/23/661798523.db2.gz LRLMJVVBWDYFKO-CMPLNLGQSA-N 1 0 399.123 2.535 20 0 GFADRO C[N@@H+]1CC[C@@H](CCOC(=O)[C@@H]2CCO[C@H]2c2cncc(Br)c2)C1 ZINC000851112539 661806764 /nfs/dbraw/zinc/80/67/64/661806764.db2.gz GKFAMLSFQIMWGG-MAZHCROVSA-N 1 0 383.286 2.807 20 0 GFADRO NC(=O)[C@](O)(C[N@H+](Cc1cccc(Br)c1)C1CC1)c1ccccc1 ZINC000851717108 661828817 /nfs/dbraw/zinc/82/88/17/661828817.db2.gz OXNBDKNTEGCNHU-IBGZPJMESA-N 1 0 389.293 2.787 20 0 GFADRO CCOP(=O)(OCC)[C@H](O)C[NH+]1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000851803587 661833098 /nfs/dbraw/zinc/83/30/98/661833098.db2.gz SISGPKAMPPKVJC-IRXDYDNUSA-N 1 0 379.434 2.621 20 0 GFADRO O[C@@H](C[N@@H+]1CCC[C@@H](N2CCOCC2)CC1)c1ccc(Br)cc1 ZINC000852009529 661849121 /nfs/dbraw/zinc/84/91/21/661849121.db2.gz MSGJBUCDZMQMBS-MSOLQXFVSA-N 1 0 383.330 2.669 20 0 GFADRO C[NH+](C)[C@]1(CNC(=O)NC[C@H](O)c2ccc(Cl)c(Cl)c2)CCSC1 ZINC000852181362 661855918 /nfs/dbraw/zinc/85/59/18/661855918.db2.gz ABJVXSIMCMHQJC-HOCLYGCPSA-N 1 0 392.352 2.763 20 0 GFADRO CCOP(=O)(OCC)[C@H](O)C[N@@H+]1C[C@H](C)C[C@H](C(=O)OC(C)(C)C)C1 ZINC000852183860 661856136 /nfs/dbraw/zinc/85/61/36/661856136.db2.gz AACWUAJSRXFPKN-ILXRZTDVSA-N 1 0 379.434 2.871 20 0 GFADRO NC(=O)[C@@](O)(C[NH2+]C1(c2ccccc2Br)CCC1)c1ccccc1 ZINC000852210056 661856570 /nfs/dbraw/zinc/85/65/70/661856570.db2.gz XDIXHOSTVWPPFA-LJQANCHMSA-N 1 0 389.293 2.791 20 0 GFADRO C[C@@H](CN1CCOCC1)[N@@H+]1CC[C@@]2(C)[C@@H](C1)C2(Br)Br ZINC000852336222 661861218 /nfs/dbraw/zinc/86/12/18/661861218.db2.gz YSBPEZUAXGGIEH-XQQFMLRXSA-N 1 0 396.167 2.535 20 0 GFADRO C[C@]1(C(=O)N2CCC([NH2+]CC3CC3)CC2)CC1(Br)Br ZINC000852800113 661874663 /nfs/dbraw/zinc/87/46/63/661874663.db2.gz WVSBKGRTJDJQNM-CYBMUJFWSA-N 1 0 394.151 2.873 20 0 GFADRO C[C@]1(C(=O)N2CCC[C@H]([C@H]3CCC[NH2+]3)C2)CC1(Br)Br ZINC000852873850 661876085 /nfs/dbraw/zinc/87/60/85/661876085.db2.gz FXIOHRGYVQNVTM-DMDPSCGWSA-N 1 0 394.151 2.873 20 0 GFADRO C[C@]1(CNC(=O)c2cnn(-c3ccccc3)c2Br)CCC[NH2+]C1 ZINC000852876123 661876250 /nfs/dbraw/zinc/87/62/50/661876250.db2.gz WDKMENDWWNPHMY-KRWDZBQOSA-N 1 0 377.286 2.754 20 0 GFADRO C[C@]1(C(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)CC1(Br)Br ZINC000852880621 661876401 /nfs/dbraw/zinc/87/64/01/661876401.db2.gz NWTYWXIJEDYISO-DGCLKSJQSA-N 1 0 394.151 2.731 20 0 GFADRO O=C(c1cnn(-c2ccccc2)c1Br)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000852881674 661876502 /nfs/dbraw/zinc/87/65/02/661876502.db2.gz ZJMBTJGKVYNMMV-SFHVURJKSA-N 1 0 389.297 2.851 20 0 GFADRO O=C(c1cnn(-c2ccccc2)c1Br)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000852893474 661876623 /nfs/dbraw/zinc/87/66/23/661876623.db2.gz XFEPYBSRCKUNGZ-KRWDZBQOSA-N 1 0 375.270 2.603 20 0 GFADRO C[NH2+]C[C@H](C)NC(=O)c1ccccc1N(C)C(=O)c1ccc(Br)o1 ZINC000852921021 661877184 /nfs/dbraw/zinc/87/71/84/661877184.db2.gz IDGMWHVYBPASLX-NSHDSACASA-N 1 0 394.269 2.656 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CC[NH2+]C[C@H](O)c1ccccn1 ZINC000853098578 661882317 /nfs/dbraw/zinc/88/23/17/661882317.db2.gz NYJYZOJMTWOHNF-INIZCTEOSA-N 1 0 378.270 2.804 20 0 GFADRO O=S1(=O)N=C(Cl)c2ccc(N3CC[C@@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)cc21 ZINC000853454853 661889355 /nfs/dbraw/zinc/88/93/55/661889355.db2.gz KGXYUWNXEKJYAX-BLLLJJGKSA-N 1 0 379.913 2.827 20 0 GFADRO C[NH+](C)CCC[C@H]1CN(c2ccc(S(=O)(=O)C(F)(F)F)cc2)CCO1 ZINC000853988741 661910675 /nfs/dbraw/zinc/91/06/75/661910675.db2.gz COGBYUDIIMCTSC-AWEZNQCLSA-N 1 0 380.432 2.527 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000854216142 661919180 /nfs/dbraw/zinc/91/91/80/661919180.db2.gz SSSQPARPJPQEKT-GFCCVEGCSA-N 1 0 375.441 2.677 20 0 GFADRO CN(C[C@@H](O)c1cccc(Br)c1)C(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C ZINC000854244419 661920732 /nfs/dbraw/zinc/92/07/32/661920732.db2.gz FAKAGJRYFJMWBA-HZPDHXFCSA-N 1 0 398.345 2.997 20 0 GFADRO CCC[NH+]1CCC(NC(=O)c2cccc(S(=O)(=O)C(F)(F)F)c2)CC1 ZINC000854273318 661921671 /nfs/dbraw/zinc/92/16/71/661921671.db2.gz WSOUAIKWMMMBOT-UHFFFAOYSA-N 1 0 378.416 2.584 20 0 GFADRO CCCN(CC[NH+]1CCCCCC1)C(=O)NCC[S@](=O)CC(F)(F)F ZINC000854302725 661922677 /nfs/dbraw/zinc/92/26/77/661922677.db2.gz FTAQOZMLGIRIHN-VWLOTQADSA-N 1 0 385.496 2.595 20 0 GFADRO CCCN(CC[NH+]1CCCCCC1)C(=O)NCC[S@@](=O)CC(F)(F)F ZINC000854302724 661922774 /nfs/dbraw/zinc/92/27/74/661922774.db2.gz FTAQOZMLGIRIHN-RUZDIDTESA-N 1 0 385.496 2.595 20 0 GFADRO CN(C[C@H](O)c1ccccc1Br)C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000854313641 661924479 /nfs/dbraw/zinc/92/44/79/661924479.db2.gz ZKKPEDGUYWLOER-BBRMVZONSA-N 1 0 398.345 2.997 20 0 GFADRO C[N@@H+]1CCC[C@@H]1[C@H]1COCCN1C(=O)c1c(Cl)nc2cc(Cl)ccn21 ZINC000854643865 661945312 /nfs/dbraw/zinc/94/53/12/661945312.db2.gz ZMAULPBPRMQXPM-CHWSQXEVSA-N 1 0 383.279 2.576 20 0 GFADRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)c3c(Cl)nc4cc(Cl)ccn43)[C@H]2C1 ZINC000854657725 661946120 /nfs/dbraw/zinc/94/61/20/661946120.db2.gz CMPPVAMJZABKQA-QWHCGFSZSA-N 1 0 383.279 2.576 20 0 GFADRO C[N@@H+]1CCC[C@]2(CCN(C(=O)c3cnn(C(C)(C)C)c3Br)C2)C1 ZINC000854658527 661946139 /nfs/dbraw/zinc/94/61/39/661946139.db2.gz AGQVSHKPJZDNIP-KRWDZBQOSA-N 1 0 383.334 2.959 20 0 GFADRO C[C@H]1CN(C(=O)c2cnn(C(C)(C)C)c2Br)CC[N@@H+](C2CC2)C1 ZINC000854676798 661947231 /nfs/dbraw/zinc/94/72/31/661947231.db2.gz CFLPAYPQXUXMHR-GFCCVEGCSA-N 1 0 383.334 2.957 20 0 GFADRO C[NH+]1CCC2(CC1)CN(C(=O)c1c(Cl)nc3cc(Cl)ccn31)CCO2 ZINC000855010233 661965397 /nfs/dbraw/zinc/96/53/97/661965397.db2.gz OMBYRVFTEBEEHF-UHFFFAOYSA-N 1 0 383.279 2.578 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)/C=C/c1ccc(I)o1 ZINC000855163903 661974293 /nfs/dbraw/zinc/97/42/93/661974293.db2.gz DGPJFHVOIGHUTC-ZRQQLDRUSA-N 1 0 388.249 2.886 20 0 GFADRO O=C(NCC1CC[NH+](CC2CC2)CC1)[C@@H]1Cc2cc(Br)ccc2O1 ZINC000856416520 662032700 /nfs/dbraw/zinc/03/27/00/662032700.db2.gz SVDYRYBVOBEUIU-SFHVURJKSA-N 1 0 393.325 2.991 20 0 GFADRO C[NH+](C)CCC[C@@H]1CN(C(=O)c2cc(Cl)nc(C(F)(F)F)c2)CCO1 ZINC000856430127 662033542 /nfs/dbraw/zinc/03/35/42/662033542.db2.gz ROICVUPFFLULSC-GFCCVEGCSA-N 1 0 379.810 2.937 20 0 GFADRO COc1ccc(C(=O)NC[C@@H]2CCC[N@H+](CC3CC3)C2)nc1Br ZINC000856479892 662035270 /nfs/dbraw/zinc/03/52/70/662035270.db2.gz OZRSDGIWVBKQTB-ZDUSSCGKSA-N 1 0 382.302 2.705 20 0 GFADRO CC(C)[N@H+](C)Cc1cc(O[C@H]2CCN(C(=O)C3SCCS3)C2)ccn1 ZINC000856653565 662037911 /nfs/dbraw/zinc/03/79/11/662037911.db2.gz NQYOUZDSKUMOAL-INIZCTEOSA-N 1 0 381.567 2.708 20 0 GFADRO Cn1nccc1[C@@H](O)C1CC[NH+](C[C@@H](O)c2ccccc2Br)CC1 ZINC000856799301 662044644 /nfs/dbraw/zinc/04/46/44/662044644.db2.gz PODQFMTYLGCRKH-MSOLQXFVSA-N 1 0 394.313 2.662 20 0 GFADRO [NH3+]C[C@H]1CCCN(C(=O)NCC(F)(F)c2ccc(Br)cc2)C1 ZINC000857106638 662063804 /nfs/dbraw/zinc/06/38/04/662063804.db2.gz UJHPDKOAGPBXQN-LLVKDONJSA-N 1 0 376.245 2.921 20 0 GFADRO O=C(NCc1noc(CC[C@@H]2CCC[NH2+]C2)n1)c1ccc(Br)cc1 ZINC000857252155 662070508 /nfs/dbraw/zinc/07/05/08/662070508.db2.gz BIZVCWAVFQYYEF-LBPRGKRZSA-N 1 0 393.285 2.694 20 0 GFADRO C[NH+](C)Cc1cccc(C(=O)N2CC(O)(c3ccc(Br)cc3)C2)c1 ZINC000857336614 662074599 /nfs/dbraw/zinc/07/45/99/662074599.db2.gz SPHZEBQORPUJGO-UHFFFAOYSA-N 1 0 389.293 2.854 20 0 GFADRO C[C@@H](O)c1ncc(C(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)s1 ZINC000857499739 662081246 /nfs/dbraw/zinc/08/12/46/662081246.db2.gz VIHWKBUUPJCDNC-OIKLOGQESA-N 1 0 377.432 2.732 20 0 GFADRO O=C(Nc1ccc(Br)cc1)N1CCC([NH2+]C[C@H](O)C2CC2)CC1 ZINC000857772077 662090452 /nfs/dbraw/zinc/09/04/52/662090452.db2.gz VZGCILMRCBVLPB-INIZCTEOSA-N 1 0 382.302 2.806 20 0 GFADRO C[NH+](C)[C@H]1CCc2cc(Br)ccc2N(C(=O)COCC(F)F)C1 ZINC000857880727 662093379 /nfs/dbraw/zinc/09/33/79/662093379.db2.gz MNDBQMROASQMEF-ZDUSSCGKSA-N 1 0 391.256 2.940 20 0 GFADRO CC[S@](=O)CC[NH2+][C@H](C)c1ccc(NS(=O)(=O)c2ccccc2)cc1 ZINC000858365072 662109847 /nfs/dbraw/zinc/10/98/47/662109847.db2.gz YXUMIJLLGRCMNK-MYYSRTQBSA-N 1 0 380.535 2.907 20 0 GFADRO CN(Cc1ccccc1Br)C(=O)CCNc1cc[nH+]c(CO)c1 ZINC000858404924 662110558 /nfs/dbraw/zinc/11/05/58/662110558.db2.gz ZKIYXUFEXCHTPV-UHFFFAOYSA-N 1 0 378.270 2.797 20 0 GFADRO C[C@@H]([NH2+]C[C@@H]1CN(Cc2ccncc2)CCO1)c1ccc(Br)nc1 ZINC000858564082 662114989 /nfs/dbraw/zinc/11/49/89/662114989.db2.gz DVDKNPZQPZJCNU-RHSMWYFYSA-N 1 0 391.313 2.791 20 0 GFADRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2c(Cl)ccnc2Cl)CC[C@H]1C(F)(F)F ZINC000858622818 662116785 /nfs/dbraw/zinc/11/67/85/662116785.db2.gz AHHOUPAFZYYYFY-HTQZYQBOSA-N 1 0 392.230 2.536 20 0 GFADRO CCCC[NH+]1CCC(NS(=O)(=O)c2ccc(Br)nc2F)CC1 ZINC000858920436 662127857 /nfs/dbraw/zinc/12/78/57/662127857.db2.gz BBWOESHUVURXMN-UHFFFAOYSA-N 1 0 394.310 2.526 20 0 GFADRO CC[C@H](C[NH+]1CCCC1)NS(=O)(=O)c1ccc(NC(=O)OC)c(Cl)c1 ZINC000859054984 662134263 /nfs/dbraw/zinc/13/42/63/662134263.db2.gz AKRWCSNPASVFMP-GFCCVEGCSA-N 1 0 389.905 2.671 20 0 GFADRO COC(=O)C[C@H]([NH2+][C@H]1CCc2cc(Br)ccc2NC1=O)C1CC1 ZINC000859248905 662147689 /nfs/dbraw/zinc/14/76/89/662147689.db2.gz LVFGLASGKGXFLP-GJZGRUSLSA-N 1 0 381.270 2.634 20 0 GFADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)c1cc(Br)c2ncc(C=O)n2c1 ZINC000859423162 662161566 /nfs/dbraw/zinc/16/15/66/662161566.db2.gz NKFJHJASSQPXMP-ZDUSSCGKSA-N 1 0 393.285 2.514 20 0 GFADRO C[C@H]([NH3+])CN(C)C(=O)Nc1ccc(CCn2cc(Br)cn2)cc1 ZINC000859656900 662171496 /nfs/dbraw/zinc/17/14/96/662171496.db2.gz WQQOFWMTMIUTRH-LBPRGKRZSA-N 1 0 380.290 2.699 20 0 GFADRO CC1([NH+]2CCOCC2)CCN(C(=O)Nc2ccc(Br)nc2)CC1 ZINC000860789476 662215838 /nfs/dbraw/zinc/21/58/38/662215838.db2.gz DSGQNWLCWRVWNN-UHFFFAOYSA-N 1 0 383.290 2.563 20 0 GFADRO Cc1cc(Br)nc(NC(=O)N2CCC(C)([NH+]3CCOCC3)CC2)c1 ZINC000861167744 662232215 /nfs/dbraw/zinc/23/22/15/662232215.db2.gz CQJXJBHLLILSNZ-UHFFFAOYSA-N 1 0 397.317 2.871 20 0 GFADRO CO[C@H]1C[N@H+](C)[C@](C)(COC(=O)c2nn(C(C)(C)C)cc2Br)C1 ZINC000861355931 662241945 /nfs/dbraw/zinc/24/19/45/662241945.db2.gz HBKMBZOFQBLGAU-BZNIZROVSA-N 1 0 388.306 2.667 20 0 GFADRO CO[C@@H]1C[N@H+](C)[C@@](C)(COC(=O)c2nn(C(C)(C)C)cc2Br)C1 ZINC000861355932 662242007 /nfs/dbraw/zinc/24/20/07/662242007.db2.gz HBKMBZOFQBLGAU-MEDUHNTESA-N 1 0 388.306 2.667 20 0 GFADRO CSCCONC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1nccs1 ZINC000861470750 662247906 /nfs/dbraw/zinc/24/79/06/662247906.db2.gz LCELOJPRJCCKCJ-HZPDHXFCSA-N 1 0 377.535 2.770 20 0 GFADRO C[C@H]([NH3+])CN(C)C(=O)C(=O)Nc1ccccc1SC[C@@H]1CC1(Cl)Cl ZINC000861540486 662249451 /nfs/dbraw/zinc/24/94/51/662249451.db2.gz VSDPVJPFYWTFEY-QWRGUYRKSA-N 1 0 390.336 2.717 20 0 GFADRO Cc1nc2c(s1)[C@H](NC(=O)N1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1)CCC2 ZINC000861619944 662251998 /nfs/dbraw/zinc/25/19/98/662251998.db2.gz RBFBQDLTORSESW-DMDPSCGWSA-N 1 0 376.448 2.998 20 0 GFADRO C[C@H]1CCC[N@@H+]1CCNC(=O)C(=O)Nc1cccc(SC(F)(F)F)c1 ZINC000861762516 662257984 /nfs/dbraw/zinc/25/79/84/662257984.db2.gz WKRFOLDAQNMVRB-NSHDSACASA-N 1 0 375.416 2.838 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)c1cc(Br)c2ncc(C=O)n2c1 ZINC000862153804 662271081 /nfs/dbraw/zinc/27/10/81/662271081.db2.gz BAJYWEWJWJZYIL-GFCCVEGCSA-N 1 0 393.285 2.512 20 0 GFADRO CC[N@H+](C[C@H](O)C(F)(F)F)C[C@H]1CC(F)(F)CN1C(=O)OC(C)(C)C ZINC000862332156 662280904 /nfs/dbraw/zinc/28/09/04/662280904.db2.gz FVALDJFABBQMRI-MNOVXSKESA-N 1 0 376.366 2.876 20 0 GFADRO CC(C)(C)OC(=O)N1CC(F)(F)C[C@H]1C[NH2+]CC[S@@](=O)CC(F)(F)F ZINC000862409078 662286147 /nfs/dbraw/zinc/28/61/47/662286147.db2.gz NIINTSHNEPJGPZ-UXMMLNGASA-N 1 0 394.406 2.532 20 0 GFADRO O=Cc1ccc(OCC(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)c(Br)c1 ZINC000863034473 662308906 /nfs/dbraw/zinc/30/89/06/662308906.db2.gz KPKIGRFIKZUMNX-OAHLLOKOSA-N 1 0 395.297 2.774 20 0 GFADRO Cc1csc(SCc2ccc(C(=O)NCC[N@@H+]3CC[C@H](O)C3)cc2)n1 ZINC000863829130 662348089 /nfs/dbraw/zinc/34/80/89/662348089.db2.gz CRYOQDBZLAYDNY-INIZCTEOSA-N 1 0 377.535 2.540 20 0 GFADRO C[N@H+](CC(=O)NC[C@H]1CCN(c2ccc(Br)cc2)C1)C1CCC1 ZINC000863859960 662349083 /nfs/dbraw/zinc/34/90/83/662349083.db2.gz DBGQGRBQUPBHTL-CQSZACIVSA-N 1 0 380.330 2.876 20 0 GFADRO C[NH+]1CCC(NC(=S)N[C@@H]2[C@@H]3Cc4c(cccc4Br)[C@@H]32)CC1 ZINC000865243745 662407514 /nfs/dbraw/zinc/40/75/14/662407514.db2.gz XHDKCNRNSFYGJK-VNQPRFMTSA-N 1 0 380.355 2.646 20 0 GFADRO OC1CC[NH+](CCCNc2nc(-c3ccc(Br)cc3)no2)CC1 ZINC000865453553 662422342 /nfs/dbraw/zinc/42/23/42/662422342.db2.gz GRYVGGAMBFDXMU-UHFFFAOYSA-N 1 0 381.274 2.758 20 0 GFADRO O=S(=O)(N1CCC(C[NH2+]Cc2ccc(C(F)F)nc2)CC1)C(F)(F)F ZINC000865461705 662422921 /nfs/dbraw/zinc/42/29/21/662422921.db2.gz YSEXLMQUPCKOAB-UHFFFAOYSA-N 1 0 387.374 2.670 20 0 GFADRO CC(C)(C)OC(=O)N[C@H](C[NH2+]Cc1ccc(S(C)(=O)=O)s1)CC(F)F ZINC000865540266 662427754 /nfs/dbraw/zinc/42/77/54/662427754.db2.gz ITBVCGXXMFFMBK-JTQLQIEISA-N 1 0 398.497 2.790 20 0 GFADRO CC(=O)NCC1CCC([NH2+]C[C@H](CO)Cc2ccc(Br)cc2)CC1 ZINC000865543611 662428051 /nfs/dbraw/zinc/42/80/51/662428051.db2.gz SEAYRTTYFOIVRL-TVRKMHQQSA-N 1 0 397.357 2.885 20 0 GFADRO Cn1ncc2cc(C[NH2+]CCCS(=O)(=O)c3ccc(Cl)cc3)cnc21 ZINC000865582154 662430453 /nfs/dbraw/zinc/43/04/53/662430453.db2.gz XTAYCFZMFPAYSK-UHFFFAOYSA-N 1 0 378.885 2.575 20 0 GFADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]CC(C)(C)C(C)(F)F ZINC000865790129 662443876 /nfs/dbraw/zinc/44/38/76/662443876.db2.gz JZEMZTKHTPUOEZ-LLVKDONJSA-N 1 0 383.892 2.976 20 0 GFADRO NC(=O)COc1ccc(C[NH2+][C@@H]2[C@H]3Cc4ccc(Br)cc4[C@@H]23)cc1 ZINC000865834965 662446525 /nfs/dbraw/zinc/44/65/25/662446525.db2.gz URJBCFWHQVIWDZ-QXAKKESOSA-N 1 0 387.277 2.741 20 0 GFADRO C[N@@H+]1CCn2nc(NCc3cnn(-c4ccc(Br)cc4)c3)cc2C1 ZINC000865844372 662447037 /nfs/dbraw/zinc/44/70/37/662447037.db2.gz KTMDJBKRYATUNQ-UHFFFAOYSA-N 1 0 387.285 2.889 20 0 GFADRO C[C@H](Cc1ccc(F)cc1Br)[NH2+]Cc1nc2c(c(=O)[nH]1)COCC2 ZINC000865866003 662447763 /nfs/dbraw/zinc/44/77/63/662447763.db2.gz CCVCGGROKIFBBO-SNVBAGLBSA-N 1 0 396.260 2.877 20 0 GFADRO OCc1ccc(NCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)nc1Br ZINC000865936386 662452433 /nfs/dbraw/zinc/45/24/33/662452433.db2.gz KFJTZXLEJGEWIY-INIZCTEOSA-N 1 0 392.297 2.515 20 0 GFADRO C[NH+]1CCC(Oc2ccc(CNC(=O)c3cc(Br)no3)cc2)CC1 ZINC000865992957 662455366 /nfs/dbraw/zinc/45/53/66/662455366.db2.gz MRYZWFBILFCCJI-UHFFFAOYSA-N 1 0 394.269 2.840 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(c3ncc(Cn4cc(Br)cn4)s3)CC[C@@H]21 ZINC000866207349 662464336 /nfs/dbraw/zinc/46/43/36/662464336.db2.gz IEXRUWIIYMWCCO-RISCZKNCSA-N 1 0 382.331 2.681 20 0 GFADRO COC[C@@H]([NH2+]C1CCN(C(=O)N(C)C)CC1)c1cccc(Br)c1 ZINC000866597453 662482760 /nfs/dbraw/zinc/48/27/60/662482760.db2.gz SWWKYBKPGWQWRI-MRXNPFEDSA-N 1 0 384.318 2.872 20 0 GFADRO C[NH+](C)CCOc1ccccc1CNS(=O)(=O)C[C@]1(C)CC1(Cl)Cl ZINC000866672625 662488662 /nfs/dbraw/zinc/48/86/62/662488662.db2.gz PJIJVTLMWGOKHD-HNNXBMFYSA-N 1 0 395.352 2.630 20 0 GFADRO O=S(=O)(c1ccc2onc(Cl)c2c1)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000866775951 662497169 /nfs/dbraw/zinc/49/71/69/662497169.db2.gz QSUWFYHYVNCLQR-CYBMUJFWSA-N 1 0 383.901 2.882 20 0 GFADRO [NH3+]CC12CCC(CC1)N2S(=O)(=O)c1cc(Cl)ccc1Br ZINC000866793874 662499210 /nfs/dbraw/zinc/49/92/10/662499210.db2.gz DUEZUOPRXYCRIM-UHFFFAOYSA-N 1 0 379.707 2.747 20 0 GFADRO O=S(=O)(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cc(Br)sc1Cl ZINC000866809745 662500687 /nfs/dbraw/zinc/50/06/87/662500687.db2.gz NMHZOBZSBFWCNT-AYMMMOKOSA-N 1 0 399.763 2.973 20 0 GFADRO CC[NH+](CC)CCO[C@@H]1CCN(S(=O)(=O)c2cc(Cl)cnc2Cl)C1 ZINC000866905110 662507761 /nfs/dbraw/zinc/50/77/61/662507761.db2.gz MTLMPDCXJYTXJT-CYBMUJFWSA-N 1 0 396.340 2.510 20 0 GFADRO C[NH+](C)CC1CCC(NS(=O)(=O)c2cc3nc(Cl)ncc3s2)CC1 ZINC000866996165 662515439 /nfs/dbraw/zinc/51/54/39/662515439.db2.gz QLVMILLNDLRPAO-UHFFFAOYSA-N 1 0 388.946 2.743 20 0 GFADRO C[NH+]1CCC(CCO)(NC(=O)Cc2ccc(Br)cc2Cl)CC1 ZINC000867250592 662535588 /nfs/dbraw/zinc/53/55/88/662535588.db2.gz KFFFHFNZPMFMIA-UHFFFAOYSA-N 1 0 389.721 2.608 20 0 GFADRO CSC1(CNS(=O)(=O)c2ccc3ccnc(Cl)c3c2)CC[NH+](C)CC1 ZINC000867279441 662538323 /nfs/dbraw/zinc/53/83/23/662538323.db2.gz ALPBOZMHVNRTQU-UHFFFAOYSA-N 1 0 399.969 2.994 20 0 GFADRO C[C@H]1CN(S(=O)(=O)c2cc(Cl)cnc2Cl)CC[N@@H+](C2CCC2)C1 ZINC000867298145 662539975 /nfs/dbraw/zinc/53/99/75/662539975.db2.gz AMOMOLWYOFPSRE-LLVKDONJSA-N 1 0 378.325 2.883 20 0 GFADRO CC(=O)N[C@H](C(=O)N[C@H]1CCC[N@@H+](C(C)C)C1)c1cccc(Br)c1 ZINC000867456285 662551066 /nfs/dbraw/zinc/55/10/66/662551066.db2.gz AIEKPFCJWBXBTI-IRXDYDNUSA-N 1 0 396.329 2.615 20 0 GFADRO Cc1noc(C2CCN(C(=O)[C@H]([NH3+])c3cccc(Br)c3)CC2)n1 ZINC000867942883 662588496 /nfs/dbraw/zinc/58/84/96/662588496.db2.gz XVQDTCMYHNUCFN-CQSZACIVSA-N 1 0 379.258 2.547 20 0 GFADRO Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)[C@H]([NH3+])c1cccc(Br)c1 ZINC000867941156 662588536 /nfs/dbraw/zinc/58/85/36/662588536.db2.gz CCWJHNFPCXPKEV-QLJPJBMISA-N 1 0 379.302 2.547 20 0 GFADRO COc1cc(I)ccc1C(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000867972762 662590091 /nfs/dbraw/zinc/59/00/91/662590091.db2.gz JMAQVZAQRDMXCW-LBPRGKRZSA-N 1 0 388.249 2.562 20 0 GFADRO C[C@@]1(C[NH3+])CCN(C(=O)c2c(F)ccc(I)c2Cl)C1 ZINC000867973356 662590116 /nfs/dbraw/zinc/59/01/16/662590116.db2.gz XOEUYJVJHCNKRG-ZDUSSCGKSA-N 1 0 396.631 2.895 20 0 GFADRO COC[C@H](NC(=O)C1([NH3+])Cc2ccccc2C1)c1cccc(Br)c1 ZINC000868025190 662591895 /nfs/dbraw/zinc/59/18/95/662591895.db2.gz XCFWAKOTMYOGDS-KRWDZBQOSA-N 1 0 389.293 2.749 20 0 GFADRO COCCC1(NC(=O)[C@H](C)c2ccc(Br)s2)CC[NH2+]CC1 ZINC000868041312 662592273 /nfs/dbraw/zinc/59/22/73/662592273.db2.gz RRSJGGSOHAMXRN-LLVKDONJSA-N 1 0 375.332 2.889 20 0 GFADRO Cc1nn(-c2ccc(C(=O)N3CC[C@](C)([NH3+])C3)cc2)c(C)c1Br ZINC000868074464 662593696 /nfs/dbraw/zinc/59/36/96/662593696.db2.gz JCNBVQLAUDFBMR-KRWDZBQOSA-N 1 0 377.286 2.815 20 0 GFADRO COCCC1(NC(=O)Nc2ccc(OC)cc2Br)CC[NH2+]CC1 ZINC000868116409 662594986 /nfs/dbraw/zinc/59/49/86/662594986.db2.gz PAQBKSBLMDUIOE-UHFFFAOYSA-N 1 0 386.290 2.738 20 0 GFADRO COc1cc(OC)c(NC(=O)N2CCC[C@H]3[NH2+]CC[C@@H]32)cc1Br ZINC000868151815 662596526 /nfs/dbraw/zinc/59/65/26/662596526.db2.gz YTZMLCMNVFDUQI-YPMHNXCESA-N 1 0 384.274 2.825 20 0 GFADRO COC(=O)c1cccc(NC(=O)N2CCC[C@H]3[NH2+]CC[C@@H]32)c1Br ZINC000868155284 662596739 /nfs/dbraw/zinc/59/67/39/662596739.db2.gz NIPBSCULPBKSNU-YPMHNXCESA-N 1 0 382.258 2.594 20 0 GFADRO COC[C@H](NC(=O)NC[C@@H]1CCC[N@H+](C)C1)c1cccc(Br)c1 ZINC000868367085 662603235 /nfs/dbraw/zinc/60/32/35/662603235.db2.gz DBOIWOYXJNNKBT-BBRMVZONSA-N 1 0 384.318 2.778 20 0 GFADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)NCc1cc(Cl)cc(Cl)c1F ZINC000868372788 662603567 /nfs/dbraw/zinc/60/35/67/662603567.db2.gz ZYYILQYODWCQAX-NSHDSACASA-N 1 0 377.291 2.568 20 0 GFADRO O=C(NCc1ccc(Br)cn1)NC[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000868791627 662619434 /nfs/dbraw/zinc/61/94/34/662619434.db2.gz RHHXMUAWVFUBPK-QGZVFWFLSA-N 1 0 389.297 2.918 20 0 GFADRO CC(=O)N[C@H](C(=O)NC1CCC([NH+](C)C)CC1)c1cccc(Br)c1 ZINC000868924265 662625036 /nfs/dbraw/zinc/62/50/36/662625036.db2.gz MGGDXAGOGGDYFG-JCYILVPMSA-N 1 0 396.329 2.615 20 0 GFADRO COCCN(CC1CC[NH+](C)CC1)C(=O)c1nc(Br)ccc1C ZINC000869761858 662660401 /nfs/dbraw/zinc/66/04/01/662660401.db2.gz BWKBOBRVUWDSJF-UHFFFAOYSA-N 1 0 384.318 2.583 20 0 GFADRO C[NH+]1CCC2(CCN(C(=O)c3cncc(I)c3)CC2)CC1 ZINC000870508207 662692674 /nfs/dbraw/zinc/69/26/74/662692674.db2.gz WUAQMUCDODYMEZ-UHFFFAOYSA-N 1 0 399.276 2.634 20 0 GFADRO COC(=O)C[C@H](NC(=O)[C@H]1CC[C@H]([NH3+])CC1)c1ccc(Br)cc1 ZINC000870862543 662703817 /nfs/dbraw/zinc/70/38/17/662703817.db2.gz UJCRJMCHFSEDFE-QEJZJMRPSA-N 1 0 383.286 2.687 20 0 GFADRO COC(=O)C[C@H](NC(=O)c1csc(C2CC[NH2+]CC2)n1)c1cccs1 ZINC000870860415 662703831 /nfs/dbraw/zinc/70/38/31/662703831.db2.gz FLROODIBCGWHRT-LBPRGKRZSA-N 1 0 379.507 2.706 20 0 GFADRO [NH3+][C@H]1CC[C@H](C(=O)NC[C@H]2CCN(c3cccc(Br)c3)C2)CC1 ZINC000870873185 662704186 /nfs/dbraw/zinc/70/41/86/662704186.db2.gz DGHCMIMGYFVYRW-IIAWOOMASA-N 1 0 380.330 2.909 20 0 GFADRO O=C(CCC12CC(C1)C[NH2+]2)N1CCO[C@H](c2ccccc2Br)C1 ZINC000870877179 662704373 /nfs/dbraw/zinc/70/43/73/662704373.db2.gz ICECFFORQATTHI-MNQCNDSGSA-N 1 0 379.298 2.881 20 0 GFADRO CC[C@H](C(=O)Nc1ccc(N2CC[C@H](CO)C2)c(Br)c1)[NH+](C)C ZINC000870889323 662705954 /nfs/dbraw/zinc/70/59/54/662705954.db2.gz GYLSLTKDVAYIJB-SWLSCSKDSA-N 1 0 384.318 2.546 20 0 GFADRO O=C(CCC12CC(C1)C[NH2+]2)NCc1noc(-c2cccc(Br)c2)n1 ZINC000870931993 662708767 /nfs/dbraw/zinc/70/87/67/662708767.db2.gz RRWIUKSKDSBUII-UHFFFAOYSA-N 1 0 391.269 2.648 20 0 GFADRO O=C(N[C@H]1CCC[NH2+]C1)c1c(F)ccc(I)c1Cl ZINC000870933406 662708948 /nfs/dbraw/zinc/70/89/48/662708948.db2.gz XCCOGADNBHCECE-ZETCQYMHSA-N 1 0 382.604 2.566 20 0 GFADRO [NH3+]CC12CC(C1)CN2C(=O)c1c(F)ccc(I)c1Cl ZINC000870955749 662711403 /nfs/dbraw/zinc/71/14/03/662711403.db2.gz ZASJFOCXNJJXCP-UHFFFAOYSA-N 1 0 394.615 2.647 20 0 GFADRO Cc1cc(COc2ccc(C(=O)NC[C@H]3C[C@H]([NH3+])C3)cc2Br)no1 ZINC000870970015 662711855 /nfs/dbraw/zinc/71/18/55/662711855.db2.gz BLAKZYMWNINESN-AULYBMBSSA-N 1 0 394.269 2.792 20 0 GFADRO Cc1cc(NC(=O)c2csc(C3CC[NH2+]CC3)n2)cc(S(C)(=O)=O)c1 ZINC000871013525 662712932 /nfs/dbraw/zinc/71/29/32/662712932.db2.gz VCVCEFAJCFAESI-UHFFFAOYSA-N 1 0 379.507 2.574 20 0 GFADRO Cc1cccc2cc(S(=O)(=O)NC[C@H]3CC4(CO3)CC[NH2+]CC4)sc21 ZINC000871811943 662734909 /nfs/dbraw/zinc/73/49/09/662734909.db2.gz XFDZMOMMHIUDSE-OAHLLOKOSA-N 1 0 380.535 2.647 20 0 GFADRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)C[C@H]1C(F)(F)F ZINC000871811717 662734915 /nfs/dbraw/zinc/73/49/15/662734915.db2.gz RAYXZLZRLVPRAS-VXNVDRBHSA-N 1 0 377.215 2.751 20 0 GFADRO Cc1nn(C)c(Cl)c1S(=O)(=O)N1CCC[C@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000871822042 662735859 /nfs/dbraw/zinc/73/58/59/662735859.db2.gz AEVJPGMRZLRHAF-UKRRQHHQSA-N 1 0 388.965 2.690 20 0 GFADRO C[C@@H]([NH2+]CC1CCN(S(=O)(=O)C(F)(F)F)CC1)c1cc(O)ccc1F ZINC000872034361 662754250 /nfs/dbraw/zinc/75/42/50/662754250.db2.gz HJOAUSUUQRDWTH-SNVBAGLBSA-N 1 0 384.395 2.744 20 0 GFADRO O=C1OCCN1CCC[NH2+][C@H](c1cccc(Br)c1)[C@H]1CCOC1 ZINC000872032396 662754356 /nfs/dbraw/zinc/75/43/56/662754356.db2.gz SGULHFOPWQCDNG-GOEBONIOSA-N 1 0 383.286 2.959 20 0 GFADRO O[C@H](C[NH2+][C@H](c1cccc(Br)c1)[C@H]1CCOC1)C1CCOCC1 ZINC000872050378 662754622 /nfs/dbraw/zinc/75/46/22/662754622.db2.gz ZKIDHELQCLFANC-CGTJXYLNSA-N 1 0 384.314 2.904 20 0 GFADRO CCNC(=O)N1CC[C@H]([NH2+][C@@H](c2cccc(Br)c2)[C@@H]2CCOC2)C1 ZINC000872049965 662754706 /nfs/dbraw/zinc/75/47/06/662754706.db2.gz XNZFVPXFMJITSP-PVAVHDDUSA-N 1 0 396.329 2.920 20 0 GFADRO CC(C)(C)[C@@H]1C[C@@H]([NH2+]CCNS(=O)(=O)c2ccc(Cl)s2)CCO1 ZINC000872053888 662754887 /nfs/dbraw/zinc/75/48/87/662754887.db2.gz XVELJRZBCRYGRP-RYUDHWBXSA-N 1 0 380.963 2.863 20 0 GFADRO COc1cc(Cl)c(C)cc1NC(=O)CN1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000872147177 662756414 /nfs/dbraw/zinc/75/64/14/662756414.db2.gz FHHYQDIUWHLHFG-QWRGUYRKSA-N 1 0 379.810 2.665 20 0 GFADRO COc1ccc(Cl)cc1NC(=O)[C@H](C)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000872150034 662756773 /nfs/dbraw/zinc/75/67/73/662756773.db2.gz XGAXGPAKMMRVOB-UMNHJUIQSA-N 1 0 379.810 2.745 20 0 GFADRO Cn1ncc(Br)c1C[NH2+]C[C@@H](O)c1ccc(Br)cc1 ZINC000872220429 662758270 /nfs/dbraw/zinc/75/82/70/662758270.db2.gz OKNOPPGUPJFHST-CYBMUJFWSA-N 1 0 389.091 2.768 20 0 GFADRO CC(C)(C)OC(=O)CS(=O)(=O)CC[NH2+]Cc1ccc(C(F)(F)F)s1 ZINC000872248797 662759221 /nfs/dbraw/zinc/75/92/21/662759221.db2.gz WLYJEOKFKYPAGB-UHFFFAOYSA-N 1 0 387.445 2.613 20 0 GFADRO CCOC1CC2(C[C@@H]2[NH2+]C[C@@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000872252160 662759356 /nfs/dbraw/zinc/75/93/56/662759356.db2.gz XGFYLYACSCQQES-AKBUMOGYSA-N 1 0 388.277 2.875 20 0 GFADRO CC1(C)CC[NH2+]CCN1C(=O)c1cn(-c2ccc(Br)cc2)cn1 ZINC000872298225 662759842 /nfs/dbraw/zinc/75/98/42/662759842.db2.gz DJEANYAHAQEHDM-UHFFFAOYSA-N 1 0 377.286 2.849 20 0 GFADRO CC1(C)CC[NH2+]CCN1C(=O)c1cnn(-c2ccccc2)c1Br ZINC000872300653 662760181 /nfs/dbraw/zinc/76/01/81/662760181.db2.gz KTTJWRQUZDYDAT-UHFFFAOYSA-N 1 0 377.286 2.849 20 0 GFADRO C[C@H]1C[N@H+](CCCNS(=O)(=O)c2ccc(F)c(C(F)F)c2)CCCO1 ZINC000872478712 662771228 /nfs/dbraw/zinc/77/12/28/662771228.db2.gz AJWNCGFETPQNAP-LBPRGKRZSA-N 1 0 380.432 2.543 20 0 GFADRO CSc1nc(Cl)c(F)c(N2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)n1 ZINC000872493874 662772664 /nfs/dbraw/zinc/77/26/64/662772664.db2.gz BIMUCNFTXOZWOK-FUNVUKJBSA-N 1 0 385.940 2.738 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(CN3CC[C@@H](c4cccc(Br)c4)C3=O)CC[C@H]21 ZINC000872724257 662786521 /nfs/dbraw/zinc/78/65/21/662786521.db2.gz STZRRDZQABFISA-BPQIPLTHSA-N 1 0 392.341 2.749 20 0 GFADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)NCc1ccc(C(F)(F)F)s1 ZINC000872972988 662794882 /nfs/dbraw/zinc/79/48/82/662794882.db2.gz JNJGWZNCBITXFX-GFCCVEGCSA-N 1 0 378.464 2.592 20 0 GFADRO CC(C)(CCS(C)(=O)=O)[NH2+]Cc1cccc(F)c1I ZINC000873064618 662797979 /nfs/dbraw/zinc/79/79/79/662797979.db2.gz CSKAZYLKLJBHLA-UHFFFAOYSA-N 1 0 399.269 2.733 20 0 GFADRO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2ccc(Br)cn2)cc1OC ZINC000873191147 662803778 /nfs/dbraw/zinc/80/37/78/662803778.db2.gz JTXJALHTHORNOI-SFHVURJKSA-N 1 0 395.297 2.945 20 0 GFADRO COCCOc1ccc(Br)cc1NC(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000873317024 662805293 /nfs/dbraw/zinc/80/52/93/662805293.db2.gz DEQCNPFMZRUBLQ-YVEFUNNKSA-N 1 0 398.301 2.548 20 0 GFADRO COc1cc(OC)c(NC(=O)N[C@@]23CCC[C@@H]2[NH2+]CC3)cc1Br ZINC000873319966 662805381 /nfs/dbraw/zinc/80/53/81/662805381.db2.gz NGHHPKRIXYNBKY-GOEBONIOSA-N 1 0 384.274 2.872 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)N[C@H](c2nccs2)C(F)(F)F)C[C@H]1C(F)(F)F ZINC000873327282 662805571 /nfs/dbraw/zinc/80/55/71/662805571.db2.gz HLZLMDHRSORGHZ-BWZBUEFSSA-N 1 0 376.326 2.525 20 0 GFADRO CCc1ccc(Br)c(NC(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000873666267 662811478 /nfs/dbraw/zinc/81/14/78/662811478.db2.gz BHNGWJPEHXFUIB-UONOGXRCSA-N 1 0 394.313 2.693 20 0 GFADRO CCc1ccc(Br)c(NC(=O)C(=O)N(C)[C@H]2CC[N@H+](C)C[C@H]2C)c1 ZINC000873830027 662815656 /nfs/dbraw/zinc/81/56/56/662815656.db2.gz BNAUCDLAXDOFSC-WBMJQRKESA-N 1 0 396.329 2.749 20 0 GFADRO CCn1ncc(C(=O)NC[C@@H](c2cccc(OC)c2)[NH+](C)C)c1Br ZINC000873843332 662815957 /nfs/dbraw/zinc/81/59/57/662815957.db2.gz KXLNKFLNBDOULM-HNNXBMFYSA-N 1 0 395.301 2.707 20 0 GFADRO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)c1cnnn1-c1c(Cl)cccc1Cl ZINC000874831435 662837759 /nfs/dbraw/zinc/83/77/59/662837759.db2.gz XYFOLVSQKMRPEQ-UONOGXRCSA-N 1 0 380.279 2.883 20 0 GFADRO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)Cc1ccccc1I ZINC000874837518 662837889 /nfs/dbraw/zinc/83/78/89/662837889.db2.gz KNGFXVUIFKRAGD-LSDHHAIUSA-N 1 0 384.261 2.529 20 0 GFADRO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)c1cc(=O)c2cc(Br)ccc2[nH]1 ZINC000874839044 662838134 /nfs/dbraw/zinc/83/81/34/662838134.db2.gz SULRHFSXIGJNPZ-HOTGVXAUSA-N 1 0 390.281 2.599 20 0 GFADRO CC(C)[NH+]1CCC(C(=O)N2CC(=O)Nc3cc(Br)ccc32)CC1 ZINC000875504094 662847052 /nfs/dbraw/zinc/84/70/52/662847052.db2.gz GIPMRZTZVHDDBI-UHFFFAOYSA-N 1 0 380.286 2.855 20 0 GFADRO O=C(NCCSCCC(F)(F)F)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000876173902 662856179 /nfs/dbraw/zinc/85/61/79/662856179.db2.gz JXRWGOJHMCCZJK-AWEZNQCLSA-N 1 0 383.480 2.568 20 0 GFADRO CC(C)[NH2+]C1CCN(C(=O)N[C@@H]2COc3cccc(Br)c3C2)CC1 ZINC000876227570 662857191 /nfs/dbraw/zinc/85/71/91/662857191.db2.gz FBQUXMGSBKXHHP-AWEZNQCLSA-N 1 0 396.329 2.925 20 0 GFADRO C[C@H]1CN(C(=O)NCc2ncc(Br)s2)CC[N@@H+](C2CCC2)C1 ZINC000876283309 662858762 /nfs/dbraw/zinc/85/87/62/662858762.db2.gz MNPHSQALJFWTFD-LLVKDONJSA-N 1 0 387.347 2.921 20 0 GFADRO C[C@H]([NH3+])[C@H]1CN(C(=O)c2cnc(-c3ccccc3Br)s2)CCO1 ZINC000876543125 662862592 /nfs/dbraw/zinc/86/25/92/662862592.db2.gz GDHLDUPHQQGLCO-GXFFZTMASA-N 1 0 396.310 2.761 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000876558845 662862843 /nfs/dbraw/zinc/86/28/43/662862843.db2.gz XALSBCQPMYNNMH-QAPCUYQASA-N 1 0 394.313 2.687 20 0 GFADRO COCCNC(=O)C1CC[NH+](Cc2cc(Br)c(C)s2)CC1 ZINC000876559516 662862847 /nfs/dbraw/zinc/86/28/47/662862847.db2.gz BOWVWRHHASJCMO-UHFFFAOYSA-N 1 0 375.332 2.794 20 0 GFADRO Cc1cnn([C@H]2CCC[NH2+]C2)c1C(=O)NCc1cc(Br)cs1 ZINC000876602018 662863291 /nfs/dbraw/zinc/86/32/91/662863291.db2.gz FTVJQOPLVQHLDV-LBPRGKRZSA-N 1 0 383.315 2.870 20 0 GFADRO C[C@H](NC(=O)/C=C\[C@@H]1CCC[NH2+]C1)c1cc2c(cc1Br)OCCO2 ZINC000876607760 662863399 /nfs/dbraw/zinc/86/33/99/662863399.db2.gz ZFQYRQOXMGCYIU-AIMRDXAKSA-N 1 0 395.297 2.953 20 0 GFADRO C[NH+](C)C[C@H](N)C(=O)N[C@@H](c1ccccc1)c1ccc(Br)cc1F ZINC000876607704 662863409 /nfs/dbraw/zinc/86/34/09/662863409.db2.gz XVESBETYLPZEKW-IRXDYDNUSA-N 1 0 394.288 2.683 20 0 GFADRO C[C@H](NC(=O)/C=C/[C@H]1CCC[NH2+]C1)c1cc2c(cc1Br)OCCO2 ZINC000876607762 662863420 /nfs/dbraw/zinc/86/34/20/662863420.db2.gz ZFQYRQOXMGCYIU-QITAHTHBSA-N 1 0 395.297 2.953 20 0 GFADRO Brc1cnc2c(C[NH+]3CCC(OC[C@@H]4CCCO4)CC3)cnn2c1 ZINC000876649943 662864270 /nfs/dbraw/zinc/86/42/70/662864270.db2.gz JZOIABODDSBEJI-INIZCTEOSA-N 1 0 395.301 2.652 20 0 GFADRO O=C(NC[C@H]1CCN(c2ccc(Br)cc2)C1)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000876733276 662865469 /nfs/dbraw/zinc/86/54/69/662865469.db2.gz UIDQGPVVUQOLCI-BJZITVGISA-N 1 0 392.341 2.924 20 0 GFADRO C[C@H]([C@H](C)S(C)(=O)=O)[N@H+](C)C[C@H]1CCCCN(C(=O)OC(C)(C)C)C1 ZINC000876738685 662865720 /nfs/dbraw/zinc/86/57/20/662865720.db2.gz JWFVUGANOCTAGC-OWCLPIDISA-N 1 0 376.563 2.777 20 0 GFADRO Cc1ccnc(CN2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)c1Br ZINC000876782931 662866435 /nfs/dbraw/zinc/86/64/35/662866435.db2.gz WRPSBFWIWKNFRJ-NVXWUHKLSA-N 1 0 381.362 2.610 20 0 GFADRO O=C(c1ccc2cncc(Br)c2n1)N1CCC2(C1)CC[NH2+]CC2 ZINC000876792992 662866520 /nfs/dbraw/zinc/86/65/20/662866520.db2.gz CCKKZUBUDMZZMP-UHFFFAOYSA-N 1 0 375.270 2.608 20 0 GFADRO CC(C)n1ncc(C(=O)NC[C@@H]2[NH2+]CCc3ccccc32)c1Br ZINC000876847067 662867347 /nfs/dbraw/zinc/86/73/47/662867347.db2.gz VMVODBKZLNADFG-HNNXBMFYSA-N 1 0 377.286 2.843 20 0 GFADRO Cn1nc(Cl)c(C(=O)NC[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)c1Cl ZINC000876861915 662867432 /nfs/dbraw/zinc/86/74/32/662867432.db2.gz HSYUSRWULVVXFZ-WCQYABFASA-N 1 0 385.270 2.989 20 0 GFADRO COC(=O)c1cc(NC(=O)/C=C/[C@H]2CCC[NH2+]C2)cc(Br)c1F ZINC000876909742 662867900 /nfs/dbraw/zinc/86/79/00/662867900.db2.gz GWJNMOVMHPPTDR-ORAHPGNNSA-N 1 0 385.233 2.869 20 0 GFADRO Cn1ncc(C[NH3+])c1C(=O)N1CC[C@H](Sc2ccc(Br)cc2)C1 ZINC000876995106 662869307 /nfs/dbraw/zinc/86/93/07/662869307.db2.gz WMDQIJJXLQFUNX-AWEZNQCLSA-N 1 0 395.326 2.648 20 0 GFADRO COc1cccc([C@H](CNC(=O)[C@@H]([NH3+])c2cccc(Br)c2)OC)c1 ZINC000876990386 662869312 /nfs/dbraw/zinc/86/93/12/662869312.db2.gz ZXXHPUJLQFNXHI-IRXDYDNUSA-N 1 0 393.281 2.961 20 0 GFADRO COc1cc(Br)ccc1[C@H]1CCCN1C(=O)CO[C@H]1CCC[NH2+]C1 ZINC000877010569 662869570 /nfs/dbraw/zinc/86/95/70/662869570.db2.gz DEDHHAGWVQOAOA-GOEBONIOSA-N 1 0 397.313 2.890 20 0 GFADRO CC[C@H](Nc1cccnc1Cl)C(=O)N1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000877018324 662869666 /nfs/dbraw/zinc/86/96/66/662869666.db2.gz MMFSGUBEZGLPHX-TUAOUCFPSA-N 1 0 378.826 2.911 20 0 GFADRO Brc1cnc2c(C[NH2+][C@@H]3CC[C@@H]4SCCS[C@@H]34)cnn2c1 ZINC000877130085 662871452 /nfs/dbraw/zinc/87/14/52/662871452.db2.gz SYRDYPHUSZFZPL-AGIUHOORSA-N 1 0 385.356 2.961 20 0 GFADRO CC1(C)CC[C@H](CNC(=O)[C@@H]2CCO[C@H]2c2cncc(Br)c2)[NH2+]C1 ZINC000877155778 662871764 /nfs/dbraw/zinc/87/17/64/662871764.db2.gz YDWNBJODYZLVKU-OAGGEKHMSA-N 1 0 396.329 2.816 20 0 GFADRO COC[C@H](NC(=O)[C@H]([NH3+])c1cccc(OC)c1)c1cccc(Br)c1 ZINC000877263784 662872675 /nfs/dbraw/zinc/87/26/75/662872675.db2.gz YJYGIRMEDTUTGV-DLBZAZTESA-N 1 0 393.281 2.961 20 0 GFADRO O=C(C[C@@H]1C[NH2+]CCO1)Nc1ccc(Br)c(Br)c1 ZINC000877265074 662872787 /nfs/dbraw/zinc/87/27/87/662872787.db2.gz GMSLRTVQWRLIBI-SECBINFHSA-N 1 0 378.064 2.529 20 0 GFADRO CCOc1c(Br)cc(C(=O)N2CCC[C@H]3[NH2+]CC[C@@H]32)cc1OC ZINC000877288410 662873251 /nfs/dbraw/zinc/87/32/51/662873251.db2.gz OBIWIFSSHCDTHG-KGLIPLIRSA-N 1 0 383.286 2.823 20 0 GFADRO CCO[C@H]1C[C@@]([NH3+])(C(=O)NCc2cc(C(F)(F)F)cc(Cl)n2)C1(C)C ZINC000877313289 662873345 /nfs/dbraw/zinc/87/33/45/662873345.db2.gz QBFZIXWDISXPBS-XHDPSFHLSA-N 1 0 379.810 2.903 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)Cc2ccc(Br)c(F)c2)C[C@@H]1C(F)(F)F ZINC000877355737 662874201 /nfs/dbraw/zinc/87/42/01/662874201.db2.gz BLDBIAYVTADQMG-ZJUUUORDSA-N 1 0 383.183 2.726 20 0 GFADRO COc1ccc(Br)c(CC(=O)N2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)c1 ZINC000877359076 662874438 /nfs/dbraw/zinc/87/44/38/662874438.db2.gz QWWZJWKWGAOSOZ-CMPLNLGQSA-N 1 0 395.219 2.596 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)c2cc(Cl)c3c(c2)OCCCO3)C[C@@H]1C(F)(F)F ZINC000877369015 662874945 /nfs/dbraw/zinc/87/49/45/662874945.db2.gz KYSPWBDUOFNXBF-QWRGUYRKSA-N 1 0 378.778 2.711 20 0 GFADRO COC(=O)CC[C@H]1CCCN(C(=O)[C@@H]([NH3+])c2cccc(Br)c2)C1 ZINC000877380356 662875033 /nfs/dbraw/zinc/87/50/33/662875033.db2.gz HXTCRAUQGCAUNW-WBMJQRKESA-N 1 0 383.286 2.641 20 0 GFADRO COC(=O)N1CCC[C@H]([C@H](C)[NH2+]Cc2snc(OC)c2Br)C1 ZINC000877416029 662875692 /nfs/dbraw/zinc/87/56/92/662875692.db2.gz GKTUGRCAOYJTEO-UWVGGRQHSA-N 1 0 392.319 2.871 20 0 GFADRO CN(CCCCCC[NH3+])C(=O)c1cn(-c2ccccc2Br)nn1 ZINC000877440788 662876077 /nfs/dbraw/zinc/87/60/77/662876077.db2.gz LMPJWTSDWLSKAA-UHFFFAOYSA-N 1 0 380.290 2.621 20 0 GFADRO [NH3+][C@H](C[C@H]1CCCN(C(=O)Cn2cc(Br)cn2)C1)C1CCCC1 ZINC000877448073 662876095 /nfs/dbraw/zinc/87/60/95/662876095.db2.gz OJFXSOXQSGTMBJ-CZUORRHYSA-N 1 0 383.334 2.792 20 0 GFADRO COCCO[C@H]1C[C@H](CO)C[N@H+](Cc2ccc(C)c(Br)c2C)C1 ZINC000877481678 662876887 /nfs/dbraw/zinc/87/68/87/662876887.db2.gz PHUWWHUKJXCJGE-RDJZCZTQSA-N 1 0 386.330 2.912 20 0 GFADRO OC[C@H](C[NH2+]Cc1ccc(Cl)nn1)Cc1cc(Br)ccc1F ZINC000877571922 662879139 /nfs/dbraw/zinc/87/91/39/662879139.db2.gz BPKDRIWGNZANSV-JTQLQIEISA-N 1 0 388.668 2.972 20 0 GFADRO CCNS(=O)(=O)c1cccc(C[NH2+][C@H](C)CC[P@@](C)(=O)OCC)c1 ZINC000877584735 662879437 /nfs/dbraw/zinc/87/94/37/662879437.db2.gz XOLMSGSMVLNNSY-FATZIPQQSA-N 1 0 376.459 2.797 20 0 GFADRO CCO[P@](C)(=O)CC[C@H](C)[NH2+]C[C@H]1CS(=O)(=O)c2ccccc2O1 ZINC000877604932 662879742 /nfs/dbraw/zinc/87/97/42/662879742.db2.gz SEJKGVRWOAAFPE-QIPPXTIRSA-N 1 0 375.427 2.534 20 0 GFADRO CC(C)(C)OC(=O)N[C@@H]1C[C@@H]([NH2+]CC[S@](=O)CC(F)(F)F)C12CCC2 ZINC000877622081 662880169 /nfs/dbraw/zinc/88/01/69/662880169.db2.gz FGVXKADFCZJPFE-GWGNUCMJSA-N 1 0 384.464 2.723 20 0 GFADRO COC(=O)c1ccc(C[NH2+][C@@H]2C[C@H]3C[C@@]3(C(=O)OC)C2)cc1Br ZINC000877723211 662882545 /nfs/dbraw/zinc/88/25/45/662882545.db2.gz GXYYGWCZMXAIND-XWCIJXRUSA-N 1 0 382.254 2.667 20 0 GFADRO CONC(=O)C1CC[NH+](CC2=Cc3cc(Br)ccc3OC2)CC1 ZINC000877786792 662883648 /nfs/dbraw/zinc/88/36/48/662883648.db2.gz YWOWKCIWCJCVHT-UHFFFAOYSA-N 1 0 381.270 2.615 20 0 GFADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[N@@H+]1CC[C@H](C(C)(C)O)C1 ZINC000877836002 662885091 /nfs/dbraw/zinc/88/50/91/662885091.db2.gz KVKHKOYCHSDMPU-OCCSQVGLSA-N 1 0 399.329 2.555 20 0 GFADRO Cn1ncc(Br)c1CC(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000877932357 662886414 /nfs/dbraw/zinc/88/64/14/662886414.db2.gz DHFYMAXPOUTQHM-HNNXBMFYSA-N 1 0 395.301 2.662 20 0 GFADRO Cn1ncc(Br)c1CC(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000877943521 662886542 /nfs/dbraw/zinc/88/65/42/662886542.db2.gz JTSRFYVVZOUCGJ-CQSZACIVSA-N 1 0 397.342 2.740 20 0 GFADRO C[NH+]1CCC(NC(=O)CN2CCC[C@@H]2c2ccc(Br)cc2)CC1 ZINC000877985492 662887635 /nfs/dbraw/zinc/88/76/35/662887635.db2.gz ZTZCAPLPZMYDIH-QGZVFWFLSA-N 1 0 380.330 2.796 20 0 GFADRO COCCCNC(=O)C1CC[NH+](C[C@H](O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000877986925 662887656 /nfs/dbraw/zinc/88/76/56/662887656.db2.gz VOQKYOQUPJIWNA-KRWDZBQOSA-N 1 0 389.323 2.892 20 0 GFADRO C[C@H]1CN(CCc2ccccc2Br)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000878323978 662893837 /nfs/dbraw/zinc/89/38/37/662893837.db2.gz FRPSHCDCDGMGKF-LPHOPBHVSA-N 1 0 380.374 2.949 20 0 GFADRO C[N@H+](C[C@@H](O)CC1(CO)CCCC1)[C@@H](CO)c1cccc(Br)c1 ZINC000878328475 662893937 /nfs/dbraw/zinc/89/39/37/662893937.db2.gz JCIRBHXCIWGOBK-IRXDYDNUSA-N 1 0 386.330 2.718 20 0 GFADRO Cn1cc([C@@H](O)C[C@H]2CCC[N@@H+]2C[C@H](O)c2ccc(Br)cc2)cn1 ZINC000878332089 662894066 /nfs/dbraw/zinc/89/40/66/662894066.db2.gz JKXBWDWWEYGIPE-SQNIBIBYSA-N 1 0 394.313 2.804 20 0 GFADRO Cn1cc([C@@H](O)C[C@@H]2CCC[N@@H+]2C[C@H](O)c2ccc(Br)cc2)cn1 ZINC000878332086 662894093 /nfs/dbraw/zinc/89/40/93/662894093.db2.gz JKXBWDWWEYGIPE-BZSNNMDCSA-N 1 0 394.313 2.804 20 0 GFADRO OCC[C@H]([NH2+]C[C@H](O)C[C@@H](O)c1ccccc1)c1ccccc1Br ZINC000878395634 662895236 /nfs/dbraw/zinc/89/52/36/662895236.db2.gz GBZCWPAALZCWBQ-AYOQOUSVSA-N 1 0 394.309 2.947 20 0 GFADRO OCC[C@H]([NH2+]C[C@@H](O)CC1(O)CCCCC1)c1ccccc1Br ZINC000878395621 662895251 /nfs/dbraw/zinc/89/52/51/662895251.db2.gz FPXIXYIRVPYMNN-YOEHRIQHSA-N 1 0 386.330 2.908 20 0 GFADRO Cn1ncc(Br)c1CC(=O)NCCCCCCC[NH+]1CCCC1 ZINC000878402476 662895459 /nfs/dbraw/zinc/89/54/59/662895459.db2.gz JWJDNQBPPOWQBQ-UHFFFAOYSA-N 1 0 385.350 2.888 20 0 GFADRO C[C@@](CO)([NH2+]C[C@@H](O)CC1(CO)CCCC1)c1ccc(Br)cc1 ZINC000878603312 662899949 /nfs/dbraw/zinc/89/99/49/662899949.db2.gz XLAWUYOBPHVVAM-IRXDYDNUSA-N 1 0 386.330 2.550 20 0 GFADRO C[N@H+](CCc1nc(-c2ccccc2)no1)C[C@@H](O)c1cc(Br)no1 ZINC000878606719 662900265 /nfs/dbraw/zinc/90/02/65/662900265.db2.gz PBUVNJSZZVADGO-GFCCVEGCSA-N 1 0 393.241 2.695 20 0 GFADRO Cc1nc(CN2CCC(CO)([NH2+]CC(C)C)CC2)sc1Br ZINC000878671023 662902165 /nfs/dbraw/zinc/90/21/65/662902165.db2.gz XEHBNQQTMIAGFW-UHFFFAOYSA-N 1 0 376.364 2.787 20 0 GFADRO O[C@H](C[N@@H+]1CCC[C@@H](O)[C@@H]1CCc1ccccc1)c1cc(Br)no1 ZINC000878764473 662904547 /nfs/dbraw/zinc/90/45/47/662904547.db2.gz HDKKQDUYYBWUTJ-ARFHVFGLSA-N 1 0 395.297 2.929 20 0 GFADRO OCC[C@@H]([NH2+]C[C@H](O)c1cc(Br)no1)c1ccc(Cl)c(F)c1 ZINC000879114577 662917509 /nfs/dbraw/zinc/91/75/09/662917509.db2.gz LOONPVALDKUGQF-NEPJUHHUSA-N 1 0 393.640 2.976 20 0 GFADRO Cc1cc(NC(=O)N2CCC[C@H]([NH2+]C3CCOCC3)C2)cnc1Br ZINC000879149509 662918758 /nfs/dbraw/zinc/91/87/58/662918758.db2.gz MPFJSYGUFJTXBB-AWEZNQCLSA-N 1 0 397.317 2.917 20 0 GFADRO CC(C)([NH2+]C[C@H]1CCCN(S(C)(=O)=O)C1)c1nc2cc(Cl)ccc2o1 ZINC000879158665 662918871 /nfs/dbraw/zinc/91/88/71/662918871.db2.gz LTCUFMUIXUOUJK-GFCCVEGCSA-N 1 0 385.917 2.978 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(C(=O)Nc3ccc4nccnc4c3Br)CC[C@H]21 ZINC000879547763 662928853 /nfs/dbraw/zinc/92/88/53/662928853.db2.gz FMEYKMQJIXUBGE-BXUZGUMPSA-N 1 0 390.285 2.950 20 0 GFADRO CN1CC[NH+](C2CCN(CC(=O)Nc3cc(Cl)ccc3Cl)CC2)CC1 ZINC000879592568 662930221 /nfs/dbraw/zinc/93/02/21/662930221.db2.gz LUHKMPAXKRQCNE-UHFFFAOYSA-N 1 0 385.339 2.644 20 0 GFADRO CS(=O)(=O)Cc1nc(C[NH2+][C@H](Cc2cccnc2)C2CCCC2)cs1 ZINC000879674254 662936035 /nfs/dbraw/zinc/93/60/35/662936035.db2.gz CZRGZUPXTUADTP-QGZVFWFLSA-N 1 0 379.551 2.974 20 0 GFADRO CN(Cc1ccc(Cl)s1)C(=O)CN1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000880211253 662954741 /nfs/dbraw/zinc/95/47/41/662954741.db2.gz LNZQPWSLYJKMSS-HNNXBMFYSA-N 1 0 385.961 2.593 20 0 GFADRO O=C(CC[NH+]1CCC2(CC1)COCCO2)Nc1cccc(Br)c1 ZINC000880544284 662962052 /nfs/dbraw/zinc/96/20/52/662962052.db2.gz HFSPMHYJUCYPKP-UHFFFAOYSA-N 1 0 383.286 2.659 20 0 GFADRO COC(=O)c1ccc(C[N@@H+]2C[C@@H](O)CC3(CCOCC3)C2)c(Br)c1 ZINC000880585340 662963212 /nfs/dbraw/zinc/96/32/12/662963212.db2.gz PWFNGVAWTXTQAS-HNNXBMFYSA-N 1 0 398.297 2.599 20 0 GFADRO COC1CC[NH+](CCNC(=O)Nc2c3c(ccc2Br)OCC3)CC1 ZINC000880803580 662972260 /nfs/dbraw/zinc/97/22/60/662972260.db2.gz VFKTULAJRUYIKH-UHFFFAOYSA-N 1 0 398.301 2.616 20 0 GFADRO CCC1([NH+]2CCCC2)CCN(C(=O)Cc2c(Br)cnn2C)CC1 ZINC000881118681 662982194 /nfs/dbraw/zinc/98/21/94/662982194.db2.gz GNPBOGPIEVCBSB-UHFFFAOYSA-N 1 0 383.334 2.592 20 0 GFADRO C[C@@](O)(Cn1cc(C[C@@H]2CC[NH2+]C2)nn1)c1ccc(Br)cc1Cl ZINC000881422708 662993484 /nfs/dbraw/zinc/99/34/84/662993484.db2.gz FNSHIOHYQTYNPC-MEDUHNTESA-N 1 0 399.720 2.754 20 0 GFADRO C[C@@H]1CN(C(=O)c2ccc(Br)c(O)c2)CCN1c1cc[nH+]cc1 ZINC000881632978 662998456 /nfs/dbraw/zinc/99/84/56/662998456.db2.gz RODZNZYIVLIYKW-GFCCVEGCSA-N 1 0 376.254 2.901 20 0 GFADRO C[C@H]1CN(C(=O)C(=O)c2ccc(Br)s2)CCN1c1cc[nH+]cc1 ZINC000881629806 662998510 /nfs/dbraw/zinc/99/85/10/662998510.db2.gz BITLORKTCWNXCY-NSHDSACASA-N 1 0 394.294 2.826 20 0 GFADRO Brc1nnc2ccc(NC[C@@H](c3ccco3)[NH+]3CCCC3)nn12 ZINC000881754033 663001819 /nfs/dbraw/zinc/00/18/19/663001819.db2.gz FPJLSACMFICJGR-NSHDSACASA-N 1 0 377.246 2.729 20 0 GFADRO C[S@](=O)(=NS(=O)(=O)NC1CC[NH+](C2CCCC2)CC1)C1CCCCC1 ZINC000881965596 663011453 /nfs/dbraw/zinc/01/14/53/663011453.db2.gz MBJYSNHSSREZJW-XMMPIXPASA-N 1 0 391.603 2.658 20 0 GFADRO C[C@@H]1CN(c2ccc([S@](=N)(=O)C(F)(F)F)cc2)CC[N@@H+]1CC(C)(C)O ZINC000882232854 663021788 /nfs/dbraw/zinc/02/17/88/663021788.db2.gz BEJAZGNLOJOLMG-YDBLSZJJSA-N 1 0 379.448 2.893 20 0 GFADRO C[C@H](C[NH+](C)C)[C@H]1CCCCN1S(=O)(=O)c1cncc(Br)c1 ZINC000882431015 663027566 /nfs/dbraw/zinc/02/75/66/663027566.db2.gz HSSZLFPXYRSMIE-IUODEOHRSA-N 1 0 390.347 2.585 20 0 GFADRO CC1([NH+]2CCCC2)CCN(S(=O)(=O)N=[S@@](C)(=O)C2CCCCC2)CC1 ZINC000882474439 663028583 /nfs/dbraw/zinc/02/85/83/663028583.db2.gz KMUFYSHYTJCNFT-DEOSSOPVSA-N 1 0 391.603 2.612 20 0 GFADRO CC1([NH+]2CCC2)CCN(C(=O)c2cc3c(c(Br)c2)OCO3)CC1 ZINC000882502800 663029464 /nfs/dbraw/zinc/02/94/64/663029464.db2.gz LFRTYVDRHCPXPE-UHFFFAOYSA-N 1 0 381.270 2.878 20 0 GFADRO C[C@H](C[NH2+]Cc1c2c(nn1C)CCSC2)c1ccc(S(C)(=O)=O)cc1 ZINC000883198301 663051328 /nfs/dbraw/zinc/05/13/28/663051328.db2.gz FNSHZKCFPVUFPR-CYBMUJFWSA-N 1 0 379.551 2.506 20 0 GFADRO Cc1nn(-c2ccccn2)c(Cl)c1C[NH2+]C[C@H](O)C(F)(F)C(F)(F)F ZINC000883367025 663054089 /nfs/dbraw/zinc/05/40/89/663054089.db2.gz GETWJZQXRVUSSS-JTQLQIEISA-N 1 0 384.736 2.877 20 0 GFADRO CC(=O)NC1CCC([NH2+][C@H]2CCc3cc(Br)ccc3NC2=O)CC1 ZINC000883377519 663054373 /nfs/dbraw/zinc/05/43/73/663054373.db2.gz KAYAIOBJWQXVKB-DQPZFDDXSA-N 1 0 394.313 2.739 20 0 GFADRO Cc1cc(Br)c(Cl)cc1S(=O)(=O)N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000883466217 663055566 /nfs/dbraw/zinc/05/55/66/663055566.db2.gz IIMXNOUNLVCULT-VHSXEESVSA-N 1 0 381.723 2.769 20 0 GFADRO [NH3+]Cc1nc2c(s1)CCN(S(=O)(=O)c1cc(Cl)sc1Cl)C2 ZINC000883481461 663056086 /nfs/dbraw/zinc/05/60/86/663056086.db2.gz MGNJWEKFZLEDHM-UHFFFAOYSA-N 1 0 384.335 2.717 20 0 GFADRO O=C(NCCc1ccns1)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000883616445 663058001 /nfs/dbraw/zinc/05/80/01/663058001.db2.gz IOCYZTFNEDKNGH-UHFFFAOYSA-N 1 0 376.448 2.790 20 0 GFADRO COCC[C@@H]([NH3+])C(=O)Nc1ccc(Cl)c(C(=O)NCc2cccs2)c1 ZINC000884167831 663066384 /nfs/dbraw/zinc/06/63/84/663066384.db2.gz PJWZHZFJTYQHON-OAHLLOKOSA-N 1 0 381.885 2.634 20 0 GFADRO COc1c(C)cnc(CNC(=O)[C@H]([NH3+])c2ccc(Br)cc2)c1C ZINC000884204894 663067019 /nfs/dbraw/zinc/06/70/19/663067019.db2.gz HBQSLQWDHKMJHO-OAHLLOKOSA-N 1 0 378.270 2.786 20 0 GFADRO CC1(C)[C@H]([NH3+])C[C@H]1NC(=O)C1(c2ccc(Br)cc2)CCOCC1 ZINC000884353894 663069448 /nfs/dbraw/zinc/06/94/48/663069448.db2.gz IHMYITSTSISELZ-HUUCEWRRSA-N 1 0 381.314 2.739 20 0 GFADRO [NH3+][C@@H](C(=O)N1CCO[C@H](CC(F)(F)F)C1)c1ccc(Br)cc1 ZINC000884419406 663070556 /nfs/dbraw/zinc/07/05/56/663070556.db2.gz PSXOCOVCSDHYEX-VXGBXAGGSA-N 1 0 381.192 2.629 20 0 GFADRO C[C@@H]1CC[C@H](NC(=O)c2cc(Br)nn2-c2ncccc2Cl)C[NH2+]1 ZINC000884438374 663070774 /nfs/dbraw/zinc/07/07/74/663070774.db2.gz ZDVLYXGSJLAJSP-ZJUUUORDSA-N 1 0 398.692 2.554 20 0 GFADRO NCc1ocnc1C(=O)N1CC2(CCOCC2)c2ccc(Br)cc21 ZINC000884451716 663070947 /nfs/dbraw/zinc/07/09/47/663070947.db2.gz YUVPLUAIJUYFTA-UHFFFAOYSA-N 1 0 392.253 2.604 20 0 GFADRO Cc1cc(N2CCO[C@@]3(CCS(=O)(=O)C3)C2)c2ccc(C)c(Cl)c2[nH+]1 ZINC000884542904 663072328 /nfs/dbraw/zinc/07/23/28/663072328.db2.gz PSXXWMLUORRZJI-SFHVURJKSA-N 1 0 380.897 2.899 20 0 GFADRO Cc1ccc(Br)c(CS(=O)(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000884960454 663079905 /nfs/dbraw/zinc/07/99/05/663079905.db2.gz VWGMAQXKIGNSRB-CABCVRRESA-N 1 0 387.343 2.804 20 0 GFADRO O=C(NC[C@@H]1CC[N@@H+]1C1CCOCC1)c1cc2cc(Br)sc2[nH]1 ZINC000885865506 663099590 /nfs/dbraw/zinc/09/95/90/663099590.db2.gz HMNIUHNBHAEZQQ-LBPRGKRZSA-N 1 0 398.326 2.975 20 0 GFADRO C[C@@H](C(=O)NC[C@H]1CC[N@@H+]1C1CCOCC1)c1ccc(Br)cc1 ZINC000885875996 663100021 /nfs/dbraw/zinc/10/00/21/663100021.db2.gz MPSFDJWFDRFQEU-CXAGYDPISA-N 1 0 381.314 2.922 20 0 GFADRO O=C(NC[C@H]1CC[N@@H+]1C1CCOCC1)[C@@H]1CCc2cc(Br)ccc21 ZINC000885888390 663100485 /nfs/dbraw/zinc/10/04/85/663100485.db2.gz IFHIVJVGGZGQFC-SJLPKXTDSA-N 1 0 393.325 2.848 20 0 GFADRO Cc1ccc(CC(=O)NC[C@H]2CC[N@@H+]2C2CCOCC2)c(Br)c1 ZINC000885888101 663100537 /nfs/dbraw/zinc/10/05/37/663100537.db2.gz BPGUNICHCBOIAV-MRXNPFEDSA-N 1 0 381.314 2.670 20 0 GFADRO O=C(Cc1ccc(Br)cc1F)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000885890524 663100701 /nfs/dbraw/zinc/10/07/01/663100701.db2.gz GARDBRSWAUHFDS-HNNXBMFYSA-N 1 0 385.277 2.500 20 0 GFADRO O=S(=O)(c1ccc(Cl)s1)N1CCC[N@H+](C[C@@H]2C[C@@]23CCOC3)CC1 ZINC000885975860 663102200 /nfs/dbraw/zinc/10/22/00/663102200.db2.gz YCQXJICWVCJEMX-XJKSGUPXSA-N 1 0 390.958 2.525 20 0 GFADRO OC[C@H](C[NH2+][C@@H]1CCOC2(CCOCC2)C1)Cc1ccccc1Br ZINC000886092027 663103071 /nfs/dbraw/zinc/10/30/71/663103071.db2.gz MIKDCWAFRBVIGJ-DOTOQJQBSA-N 1 0 398.341 2.918 20 0 GFADRO COc1ccc(C[NH2+]CCn2cc(Br)ccc2=O)c(F)c1OC ZINC000886130105 663103751 /nfs/dbraw/zinc/10/37/51/663103751.db2.gz WCARZUHRPJYFBZ-UHFFFAOYSA-N 1 0 385.233 2.557 20 0 GFADRO CC(=O)NCC[N@@H+](Cc1ccc(Br)s1)C[C@H]1C[C@]12CCOC2 ZINC000886190433 663104392 /nfs/dbraw/zinc/10/43/92/663104392.db2.gz QEDHZSMJMJFQLQ-CJNGLKHVSA-N 1 0 387.343 2.875 20 0 GFADRO Cc1nn(-c2cccc(Br)c2)cc1C[NH2+][C@@H](CO)C[C@H]1CCCO1 ZINC000886220092 663105159 /nfs/dbraw/zinc/10/51/59/663105159.db2.gz BQMDWYFKLJGRIL-SJLPKXTDSA-N 1 0 394.313 2.963 20 0 GFADRO OC[C@@H](C[C@H]1CCCO1)[NH2+]Cc1c[nH]nc1-c1ccc(Br)s1 ZINC000886220499 663105173 /nfs/dbraw/zinc/10/51/73/663105173.db2.gz JFDAVAWQARPPEJ-VXGBXAGGSA-N 1 0 386.315 2.920 20 0 GFADRO COc1ncc(Br)cc1C[NH2+]C[C@@H]1CC[C@]2(CO[C@H](C)[C@@H]2C)O1 ZINC000886336932 663108544 /nfs/dbraw/zinc/10/85/44/663108544.db2.gz YOOCORCRNCAZSA-IUPKNAOTSA-N 1 0 385.302 2.915 20 0 GFADRO COC[C@H]([NH2+]Cc1ccc(F)cc1I)[C@@H]1CCCOC1 ZINC000886358579 663108941 /nfs/dbraw/zinc/10/89/41/663108941.db2.gz XRQFZOHILTVQDH-DOMZBBRYSA-N 1 0 393.240 2.962 20 0 GFADRO Cc1ccc(S(=O)(=O)N(C)CCC[N@H+](C)Cc2ccncc2)c(Cl)n1 ZINC000886424928 663111187 /nfs/dbraw/zinc/11/11/87/663111187.db2.gz KLPFLRUNAOWYKW-UHFFFAOYSA-N 1 0 382.917 2.581 20 0 GFADRO CO[C@H](CS(=O)(=O)Nc1ccc(C[NH+](C)C)c(C(F)(F)F)c1)C1CC1 ZINC000886481107 663112830 /nfs/dbraw/zinc/11/28/30/663112830.db2.gz RQCDOSXWVHASJH-OAHLLOKOSA-N 1 0 380.432 2.934 20 0 GFADRO CCN(CC)S(=O)(=O)c1ccc(CC[NH2+][C@H]2CCc3cccnc32)s1 ZINC000886522245 663113358 /nfs/dbraw/zinc/11/33/58/663113358.db2.gz FTHNMPZBRQWYEQ-INIZCTEOSA-N 1 0 379.551 2.993 20 0 GFADRO CC(C)C[C@@H]1C[N@H+](C)CCN1C(=O)c1cc(Br)cn(C2CC2)c1=O ZINC000886602037 663114445 /nfs/dbraw/zinc/11/44/45/663114445.db2.gz IEXWPAMSFCCGFH-OAHLLOKOSA-N 1 0 396.329 2.748 20 0 GFADRO CC[C@H](CCc1ccc(Br)cc1)[NH2+]Cc1nnc2c(=O)[nH]ccn12 ZINC000886703530 663115935 /nfs/dbraw/zinc/11/59/35/663115935.db2.gz XGMDAUCHZXJFPL-CQSZACIVSA-N 1 0 390.285 2.681 20 0 GFADRO CN(C)S(=O)(=O)C1(C[NH2+][C@@H]2CCc3sc(Br)cc32)CC1 ZINC000886736736 663116571 /nfs/dbraw/zinc/11/65/71/663116571.db2.gz IXQVILMEUADIOI-SNVBAGLBSA-N 1 0 379.345 2.512 20 0 GFADRO O=C(NC1(c2ncc(Br)cn2)CCC1)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC000886842107 663122441 /nfs/dbraw/zinc/12/24/41/663122441.db2.gz IBOVJKBBUDTCTD-UONOGXRCSA-N 1 0 379.302 2.751 20 0 GFADRO Cc1cc(Br)ccc1CS(=O)(=O)N(C1CC1)C1CC[NH2+]CC1 ZINC000886882432 663123337 /nfs/dbraw/zinc/12/33/37/663123337.db2.gz QTUJGOMVVNYKPU-UHFFFAOYSA-N 1 0 387.343 2.804 20 0 GFADRO Cc1cc(Br)ccc1CS(=O)(=O)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000886887904 663123444 /nfs/dbraw/zinc/12/34/44/663123444.db2.gz LBTIEARAXBWUGQ-HNNXBMFYSA-N 1 0 387.343 2.852 20 0 GFADRO Cc1cc(Br)ccc1CS(=O)(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000886885130 663123475 /nfs/dbraw/zinc/12/34/75/663123475.db2.gz IZVJUCVOFOGKIN-UHFFFAOYSA-N 1 0 387.343 2.663 20 0 GFADRO O=S(=O)(/C=C/c1ccccc1Br)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000886896556 663123976 /nfs/dbraw/zinc/12/39/76/663123976.db2.gz NFFVVWYKWUJGPG-ZCRIDZFUSA-N 1 0 395.269 2.584 20 0 GFADRO COC[C@H]([NH2+][C@H](C)C(=O)Nc1ccccc1Br)[C@@H]1CCCOC1 ZINC000886906241 663124468 /nfs/dbraw/zinc/12/44/68/663124468.db2.gz UAMOAWJTTYGGBX-IOASZLSFSA-N 1 0 385.302 2.807 20 0 GFADRO COC[C@H]([NH2+][C@H]1CCc2cc(Br)ccc2NC1=O)[C@@H]1CCCOC1 ZINC000886916705 663124902 /nfs/dbraw/zinc/12/49/02/663124902.db2.gz YUVBTGPFEPBWEO-COXVUDFISA-N 1 0 397.313 2.734 20 0 GFADRO O=C(NC[C@H]1CCC[NH2+]C1)C(=O)Nc1cc(Br)c2ccccc2c1 ZINC000886982152 663127109 /nfs/dbraw/zinc/12/71/09/663127109.db2.gz HDSCVCJGBLXZJL-LBPRGKRZSA-N 1 0 390.281 2.657 20 0 GFADRO FC(F)(F)CNc1nc(-c2cn(CCC[NH+]3CCSCC3)nn2)cs1 ZINC000887409824 663145680 /nfs/dbraw/zinc/14/56/80/663145680.db2.gz YSLABISNBLURMP-UHFFFAOYSA-N 1 0 392.476 2.815 20 0 GFADRO C[C@@H](Cc1nc(-c2cn([C@@H]3CCC[NH2+]C3)nn2)cs1)n1cc(Cl)cn1 ZINC000887446600 663146781 /nfs/dbraw/zinc/14/67/81/663146781.db2.gz GMEYVYBCARRYRF-WCQYABFASA-N 1 0 377.905 2.980 20 0 GFADRO C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)Nc1ccc(Br)nc1 ZINC000887901634 663168288 /nfs/dbraw/zinc/16/82/88/663168288.db2.gz ICACCWRAWSAUIK-LBPRGKRZSA-N 1 0 376.258 2.982 20 0 GFADRO C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3[C@@H]4Cc5cc(Br)ccc5[C@@H]43)C[C@]2(C)C1 ZINC000887921300 663170060 /nfs/dbraw/zinc/17/00/60/663170060.db2.gz AMFVJDFYNCIOSA-ZIIYPAMZSA-N 1 0 375.310 2.745 20 0 GFADRO CS[C@H]1CN(C(=O)Nc2c(Cl)n(C)nc2C(F)(F)F)C[C@H]1[NH+](C)C ZINC000889199408 663235571 /nfs/dbraw/zinc/23/55/71/663235571.db2.gz CZPQQIKLQZQCQP-SFYZADRCSA-N 1 0 385.843 2.602 20 0 GFADRO CCc1ccc(Br)cc1C(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000889739961 663262140 /nfs/dbraw/zinc/26/21/40/663262140.db2.gz QLZHRQNVIIUAMX-DLBZAZTESA-N 1 0 381.314 2.683 20 0 GFADRO O=C(N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO)C1(c2ccccc2Br)CC1 ZINC000889755663 663263923 /nfs/dbraw/zinc/26/39/23/663263923.db2.gz IDZLTHDQOIJQNC-SJORKVTESA-N 1 0 393.325 2.538 20 0 GFADRO O=C(c1cc(-c2ccc(Cl)s2)on1)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000889775161 663265912 /nfs/dbraw/zinc/26/59/12/663265912.db2.gz LQIHOUOUNFASHC-CHWSQXEVSA-N 1 0 381.885 2.728 20 0 GFADRO C[C@H](Oc1cccc(Cl)c1Cl)C(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000889775367 663266197 /nfs/dbraw/zinc/26/61/97/663266197.db2.gz MKWFMXQZVPSSQC-AEGPPILISA-N 1 0 387.307 2.818 20 0 GFADRO O=C(c1cc2cc(Br)ccc2[nH]1)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000889777420 663266428 /nfs/dbraw/zinc/26/64/28/663266428.db2.gz YZVMQGUQZJMIKU-SJORKVTESA-N 1 0 392.297 2.602 20 0 GFADRO C[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2cc(Br)ccc2C(C)(C)C)C1 ZINC000889943665 663277128 /nfs/dbraw/zinc/27/71/28/663277128.db2.gz WSZDGFDOLVRXBQ-LBPRGKRZSA-N 1 0 396.329 2.753 20 0 GFADRO C[C@@H](NC(=O)NC[C@@]1(O)CC[N@H+](C)C1)c1cccc(SC(F)(F)F)c1 ZINC000891218251 663330343 /nfs/dbraw/zinc/33/03/43/663330343.db2.gz YYDTYMGTIRSEQS-ABAIWWIYSA-N 1 0 377.432 2.725 20 0 GFADRO O=C(NCc1cc(F)ccc1Br)NC[C@H]1C[NH2+]CCC1(F)F ZINC000891395136 663338219 /nfs/dbraw/zinc/33/82/19/663338219.db2.gz PZLAPQAQARVXEX-SNVBAGLBSA-N 1 0 380.208 2.632 20 0 GFADRO O=C(NCc1ccc(F)cc1Br)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000891412374 663338877 /nfs/dbraw/zinc/33/88/77/663338877.db2.gz LDQBVALIOLBBSV-JTQLQIEISA-N 1 0 380.208 2.632 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)NCc2cccc(Br)c2)C[C@@H]1C(F)(F)F ZINC000891461012 663340192 /nfs/dbraw/zinc/34/01/92/663340192.db2.gz RSEPYEJSKYOENZ-JQWIXIFHSA-N 1 0 380.208 2.728 20 0 GFADRO CCOC(=O)c1ncc(Br)c(NC[C@@H](c2cccs2)[NH+](C)C)n1 ZINC000891489926 663341024 /nfs/dbraw/zinc/34/10/24/663341024.db2.gz OWHQDLPIDPVWSJ-NSHDSACASA-N 1 0 399.314 2.614 20 0 GFADRO C[C@H](NC(=O)NCC[NH+]1CCC(O)CC1)c1cc(F)c(Cl)cc1Cl ZINC000891537306 663343002 /nfs/dbraw/zinc/34/30/02/663343002.db2.gz QQUMMIIMQPFSLL-JTQLQIEISA-N 1 0 378.275 2.949 20 0 GFADRO CC(C)(C[NH+]1CCC(C(=O)NCCCO)CC1)c1ccc(Br)cc1 ZINC000891611723 663345267 /nfs/dbraw/zinc/34/52/67/663345267.db2.gz AJKYBFSOBWRFLC-UHFFFAOYSA-N 1 0 397.357 2.937 20 0 GFADRO [NH3+][C@H]1C[C@@H](CNC(=O)NCc2cc(Br)ccc2Br)C1 ZINC000891812376 663351580 /nfs/dbraw/zinc/35/15/80/663351580.db2.gz AQPYABSIKVOQNL-DKTWLAJQSA-N 1 0 391.107 2.748 20 0 GFADRO COc1ccc(C[N@@H+]2CCCN(c3ccc(Br)nn3)CC2)cc1 ZINC000891645921 663346232 /nfs/dbraw/zinc/34/62/32/663346232.db2.gz MCVDPXJVQPITSD-UHFFFAOYSA-N 1 0 377.286 2.960 20 0 GFADRO O=C(NCCSCc1ccnc(Cl)c1)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000891778390 663350104 /nfs/dbraw/zinc/35/01/04/663350104.db2.gz IMMKMRKOVHFWEI-LBPRGKRZSA-N 1 0 378.876 2.512 20 0 GFADRO Cc1ccc(Br)cc1CNC(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000891831601 663352026 /nfs/dbraw/zinc/35/20/26/663352026.db2.gz LWZUQOHVIMCFMC-MRXNPFEDSA-N 1 0 396.329 2.715 20 0 GFADRO Cc1ccc(Br)cc1CNC(=O)NC[C@H]1C[NH2+]CCC1(F)F ZINC000891833073 663352317 /nfs/dbraw/zinc/35/23/17/663352317.db2.gz YDCFETWMEPPKRN-GFCCVEGCSA-N 1 0 376.245 2.802 20 0 GFADRO [NH3+]Cc1nc2c(s1)CCN(C(=O)NCc1ccsc1Br)C2 ZINC000891889090 663354482 /nfs/dbraw/zinc/35/44/82/663354482.db2.gz JRLYORJAFXESTK-UHFFFAOYSA-N 1 0 387.328 2.694 20 0 GFADRO C[C@@H]1CCC[N@H+](CCCCNC(=O)NCc2ncc(Br)cn2)C1 ZINC000891903000 663354951 /nfs/dbraw/zinc/35/49/51/663354951.db2.gz CJLGOCJPUKDBBQ-CYBMUJFWSA-N 1 0 384.322 2.550 20 0 GFADRO COc1cccc(OCCN2CC[NH+](C[C@@H]3C[C@@]3(C)Br)CC2)c1 ZINC000892136822 663362898 /nfs/dbraw/zinc/36/28/98/663362898.db2.gz OACVHCYJBBLFBH-MAUKXSAKSA-N 1 0 383.330 2.865 20 0 GFADRO C[C@@H](NC(=O)N1CC2(CCOCC2)c2ccc(Br)cc21)[C@H](C)[NH3+] ZINC000892141236 663363347 /nfs/dbraw/zinc/36/33/47/663363347.db2.gz HQPGAQBWMCGUCI-NWDGAFQWSA-N 1 0 382.302 2.763 20 0 GFADRO CN(C[C@H](O)COc1cc(Cl)cc(Cl)c1)C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000892170960 663364340 /nfs/dbraw/zinc/36/43/40/663364340.db2.gz UUMDDNJAXYRZGU-DFBGVHRSSA-N 1 0 390.311 2.502 20 0 GFADRO [NH3+]C1(CNC(=O)NCc2ncc(Br)s2)C2CC3CC(C2)CC1C3 ZINC000892187304 663364976 /nfs/dbraw/zinc/36/49/76/663364976.db2.gz ACWSOOXOSRYSOI-UHFFFAOYSA-N 1 0 399.358 2.858 20 0 GFADRO O=C(N[C@@H]1[C@@H]2Cc3ccc(Br)cc3[C@@H]21)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000892188980 663365269 /nfs/dbraw/zinc/36/52/69/663365269.db2.gz UBNMUYXAZQPJBJ-ASXQBPSZSA-N 1 0 390.325 2.775 20 0 GFADRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)NCc2ncc(Br)cn2)C1 ZINC000892259795 663367541 /nfs/dbraw/zinc/36/75/41/663367541.db2.gz CXJYGYJSLXQNME-BETUJISGSA-N 1 0 398.349 2.795 20 0 GFADRO C[C@]1(Br)C[C@H]1CNc1ccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000892360420 663371385 /nfs/dbraw/zinc/37/13/85/663371385.db2.gz KTMNGMYORXUZRQ-MPGHIAIKSA-N 1 0 380.330 2.969 20 0 GFADRO CC(C)(C)CC[C@H](C[NH2+]C[C@@H]1CCS(=O)(=O)C1)NC(=O)OC(C)(C)C ZINC000892505865 663375997 /nfs/dbraw/zinc/37/59/97/663375997.db2.gz MSKRUVPCPYJKCV-LSDHHAIUSA-N 1 0 376.563 2.730 20 0 GFADRO COc1cc(C[NH2+][C@H](C)[C@@H]2CCS(=O)(=O)C2)ccc1OCC(F)(F)F ZINC000892541502 663376698 /nfs/dbraw/zinc/37/66/98/663376698.db2.gz BGLLQQWWPVGYIR-DGCLKSJQSA-N 1 0 381.416 2.549 20 0 GFADRO [NH3+][C@H]1C[C@@H](CNC(=O)N2CCC[C@@H](Nc3cccc(Br)c3)C2)C1 ZINC000892553909 663377120 /nfs/dbraw/zinc/37/71/20/663377120.db2.gz XKSLZUNRMKRXBL-IVMMDQJWSA-N 1 0 381.318 2.772 20 0 GFADRO O=C(NCCNc1cccc(Br)c1)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000892596316 663378273 /nfs/dbraw/zinc/37/82/73/663378273.db2.gz OBKVLAUOHQGWPK-BZWBGLRVSA-N 1 0 381.318 2.691 20 0 GFADRO C[C@]1(Br)C[C@@H]1C[NH2+]Cc1cccc(C(=O)NC[C@@H]2CCCO2)c1 ZINC000892678966 663380871 /nfs/dbraw/zinc/38/08/71/663380871.db2.gz KDEJRZVBDZMRMM-RYRKJORJSA-N 1 0 381.314 2.859 20 0 GFADRO Cn1cc(NC(=O)/C=C/c2ccc(OCC[NH+](C)C)cc2)c(Br)n1 ZINC000892681615 663381106 /nfs/dbraw/zinc/38/11/06/663381106.db2.gz QTQTVOORCNLKPX-RMKNXTFCSA-N 1 0 393.285 2.775 20 0 GFADRO Cc1ccc(CNC(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)cc1Br ZINC000892694028 663381882 /nfs/dbraw/zinc/38/18/82/663381882.db2.gz BQPXWXKDLQZIJH-HNNXBMFYSA-N 1 0 396.329 2.715 20 0 GFADRO Cc1ccc(S(=O)(=O)NCC[NH2+]Cc2cnc(CC(F)(F)F)s2)cc1 ZINC000892697457 663382042 /nfs/dbraw/zinc/38/20/42/663382042.db2.gz RYPZEZJBTKTSBO-UHFFFAOYSA-N 1 0 393.456 2.624 20 0 GFADRO CCc1nnc(C[NH2+]CCCNC(=O)c2cccc(Br)c2)s1 ZINC000892785084 663384906 /nfs/dbraw/zinc/38/49/06/663384906.db2.gz LGMKVPNKWZUJJV-UHFFFAOYSA-N 1 0 383.315 2.773 20 0 GFADRO CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)c1ccc(Br)nn1 ZINC000892845785 663386515 /nfs/dbraw/zinc/38/65/15/663386515.db2.gz HBXOZBPTQNKDOK-UHFFFAOYSA-N 1 0 396.377 2.872 20 0 GFADRO CCOC(=O)c1ncc(Br)c(N2CC[C@@H](C3CC[NH+](C)CC3)C2)n1 ZINC000892983511 663392021 /nfs/dbraw/zinc/39/20/21/663392021.db2.gz JXCBYULWLYWKTC-CYBMUJFWSA-N 1 0 397.317 2.584 20 0 GFADRO CC[N@@H+]1CC[C@H]1CNC(=O)C1(c2ccc(Br)cc2)CCOCC1 ZINC000893871642 663429304 /nfs/dbraw/zinc/42/93/04/663429304.db2.gz HBNKLVQNQOKPDY-INIZCTEOSA-N 1 0 381.314 2.708 20 0 GFADRO CN(Cc1nc(Br)nn1C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000893961627 663433467 /nfs/dbraw/zinc/43/34/67/663433467.db2.gz HJYISNPHNNYOIW-OAHLLOKOSA-N 1 0 378.318 2.674 20 0 GFADRO COC(=O)CC[N@@H+](Cc1sc(N2CCOCC2)nc1Cl)CC(C)C ZINC000893961305 663433607 /nfs/dbraw/zinc/43/36/07/663433607.db2.gz FGFSPDFWBCDOBR-UHFFFAOYSA-N 1 0 375.922 2.654 20 0 GFADRO OCC[N@H+](Cc1cc(Br)cs1)[C@@H]1CCC2(C[C@@H]1F)OCCO2 ZINC000894022763 663437926 /nfs/dbraw/zinc/43/79/26/663437926.db2.gz CVPGEDRKCYJCIN-UONOGXRCSA-N 1 0 394.306 2.939 20 0 GFADRO CC(=O)Nc1cc(Br)ccc1C[N@H+](C)CCN1CCOC(C)(C)C1 ZINC000894110424 663443063 /nfs/dbraw/zinc/44/30/63/663443063.db2.gz GLWPPCNIJXIGJD-UHFFFAOYSA-N 1 0 398.345 2.950 20 0 GFADRO O=S1CCC([NH2+]Cc2ccc(I)cc2Cl)CC1 ZINC000894185165 663447343 /nfs/dbraw/zinc/44/73/43/663447343.db2.gz NQJSNWKZEIMNSM-UHFFFAOYSA-N 1 0 383.682 2.945 20 0 GFADRO Cc1ccnc(N)c1C[NH2+]CCCNC(=O)c1cccc(Br)c1 ZINC000894210640 663448841 /nfs/dbraw/zinc/44/88/41/663448841.db2.gz DWVKTYBQINTUOQ-UHFFFAOYSA-N 1 0 377.286 2.644 20 0 GFADRO Cc1cc(C[NH2+][C@@H](C)[C@@H]2CCS(=O)(=O)C2)ccc1I ZINC000894226640 663449751 /nfs/dbraw/zinc/44/97/51/663449751.db2.gz LTXFDJAADPCZRN-WCQYABFASA-N 1 0 393.290 2.512 20 0 GFADRO Cc1cc(C[NH2+][C@@H](C)[C@H]2CCS(=O)(=O)C2)ccc1I ZINC000894226638 663449792 /nfs/dbraw/zinc/44/97/92/663449792.db2.gz LTXFDJAADPCZRN-AAEUAGOBSA-N 1 0 393.290 2.512 20 0 GFADRO C[C@@H](CCc1ccc(O)cc1)[NH2+]Cc1cn(C)nc1I ZINC000894237681 663450021 /nfs/dbraw/zinc/45/00/21/663450021.db2.gz HISDYZGKLBHITI-NSHDSACASA-N 1 0 385.249 2.841 20 0 GFADRO Cn1ncc(I)c1C[NH2+][C@H]1CCCN(c2ccccc2)C1 ZINC000894268017 663451707 /nfs/dbraw/zinc/45/17/07/663451707.db2.gz DZAJDCASOINGOZ-ZDUSSCGKSA-N 1 0 396.276 2.783 20 0 GFADRO C[C@H](CCNS(=O)(=O)c1ccccc1)[NH2+]C[C@@H]1C[C@@]1(C)Br ZINC000894278992 663452312 /nfs/dbraw/zinc/45/23/12/663452312.db2.gz KHEVPUJBNMCWSR-VNHYZAJKSA-N 1 0 375.332 2.507 20 0 GFADRO COc1cc(Br)ccc1CNC(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2C ZINC000894306047 663453390 /nfs/dbraw/zinc/45/33/90/663453390.db2.gz JECBOGPYGAVNSX-HUUCEWRRSA-N 1 0 382.302 2.836 20 0 GFADRO C[C@@H](O)C[C@H](C[NH2+]Cc1c(I)cnn1C)c1ccccc1 ZINC000894339668 663455638 /nfs/dbraw/zinc/45/56/38/663455638.db2.gz GOSGSECGKNUIFG-TZMCWYRMSA-N 1 0 399.276 2.669 20 0 GFADRO Clc1nc(N2CCOCC2)sc1C[NH2+][C@H]1CCO[C@@]2(CCSC2)C1 ZINC000894344445 663455872 /nfs/dbraw/zinc/45/58/72/663455872.db2.gz RMOJBHYOGWSGEU-LRDDRELGSA-N 1 0 389.974 2.777 20 0 GFADRO Clc1nc(N2CCOCC2)sc1C[NH2+][C@H]1CCO[C@]2(CCSC2)C1 ZINC000894344442 663455892 /nfs/dbraw/zinc/45/58/92/663455892.db2.gz RMOJBHYOGWSGEU-BLLLJJGKSA-N 1 0 389.974 2.777 20 0 GFADRO Cn1cc(CN[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)c(I)n1 ZINC000894366928 663458495 /nfs/dbraw/zinc/45/84/95/663458495.db2.gz IJEDCOFEBLSFCR-CABCVRRESA-N 1 0 396.276 2.560 20 0 GFADRO COCC[NH+](CCOC)C1CCN(Cc2csc(C(F)(F)F)n2)CC1 ZINC000894421520 663460589 /nfs/dbraw/zinc/46/05/89/663460589.db2.gz DLRNNEJDAWCXBY-UHFFFAOYSA-N 1 0 381.464 2.721 20 0 GFADRO CCc1nnc(NC(=O)[C@@H](C)[C@H](C)[NH2+]Cc2ccsc2C(=O)OC)s1 ZINC000894440518 663461770 /nfs/dbraw/zinc/46/17/70/663461770.db2.gz YXSHLYOFVIFMRJ-UWVGGRQHSA-N 1 0 382.511 2.702 20 0 GFADRO Cn1nc(Br)nc1C[NH2+]CCCCC(=O)OCc1ccccc1 ZINC000894439727 663461879 /nfs/dbraw/zinc/46/18/79/663461879.db2.gz OLGJJBJGNNTPAZ-UHFFFAOYSA-N 1 0 381.274 2.581 20 0 GFADRO O[C@@H](CCc1ccccc1)C[NH2+]Cc1sc(N2CCOCC2)nc1Cl ZINC000894450307 663462330 /nfs/dbraw/zinc/46/23/30/663462330.db2.gz YFDHEQKRNNCTGL-HNNXBMFYSA-N 1 0 381.929 2.716 20 0 GFADRO CC(C)C[C@@H]1OCCC[C@H]1[NH2+]Cc1cn(C)nc1I ZINC000894491997 663465023 /nfs/dbraw/zinc/46/50/23/663465023.db2.gz XLYJBWOUVFVPPY-OLZOCXBDSA-N 1 0 377.270 2.708 20 0 GFADRO CC(C)C[C@@H]1OCCC[C@H]1[NH2+]Cc1c(I)cnn1C ZINC000894491771 663465026 /nfs/dbraw/zinc/46/50/26/663465026.db2.gz SYHCOKWFXBSTBR-OCCSQVGLSA-N 1 0 377.270 2.708 20 0 GFADRO CC(C)[C@@H]([NH2+]Cc1c(I)cnn1C)[C@@H](O)c1ccccc1 ZINC000894597170 663470576 /nfs/dbraw/zinc/47/05/76/663470576.db2.gz GTVCXWXAOMNTNW-CVEARBPZSA-N 1 0 399.276 2.873 20 0 GFADRO COC(=O)[C@@H]1[C@H](C[NH2+][C@H](c2cncc(Br)c2)C2CC2)C1(F)F ZINC000894690714 663476465 /nfs/dbraw/zinc/47/64/65/663476465.db2.gz UMBZRZIBMKHGQR-AVGNSLFASA-N 1 0 375.213 2.939 20 0 GFADRO OC12C[C@@H]3C[C@H](C1)CC([NH2+]Cc1sc(N4CCOCC4)nc1Cl)(C3)C2 ZINC000894785316 663481407 /nfs/dbraw/zinc/48/14/07/663481407.db2.gz VHSUPFYPJWQGMN-NLKGSNSHSA-N 1 0 383.945 2.806 20 0 GFADRO CCn1c(C[NH2+]C[C@H]2CCC[C@@H]2O)nc(Br)c1Br ZINC000894815946 663482828 /nfs/dbraw/zinc/48/28/28/663482828.db2.gz BNXLKOJCZBPGHP-BDAKNGLRSA-N 1 0 381.112 2.679 20 0 GFADRO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+][C@H]2CCC3(C[C@H]2F)OCCO3)c1 ZINC000894894415 663487123 /nfs/dbraw/zinc/48/71/23/663487123.db2.gz NQGHBOWBLXFNQT-CVEARBPZSA-N 1 0 391.892 2.857 20 0 GFADRO Brc1c[nH]c(CN2CCO[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC000895152462 663501165 /nfs/dbraw/zinc/50/11/65/663501165.db2.gz MZUJEDLRJIQZCI-HOTGVXAUSA-N 1 0 391.313 2.648 20 0 GFADRO CC(C)(C)OC(=O)N1CC2(C1)C[C@H]([NH2+]C[C@@H]1C[C@@]1(C)Br)CO2 ZINC000895356351 663509708 /nfs/dbraw/zinc/50/97/08/663509708.db2.gz VUXJLXZPUACCDC-SLEUVZQESA-N 1 0 375.307 2.528 20 0 GFADRO C[C@@H]([NH2+]Cc1cnc(Br)cn1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000895407628 663512279 /nfs/dbraw/zinc/51/22/79/663512279.db2.gz GIDXZCKPGVJMPF-RHSMWYFYSA-N 1 0 391.313 2.618 20 0 GFADRO COc1cc(CNC(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3C)c(Br)cc1O ZINC000895527459 663518001 /nfs/dbraw/zinc/51/80/01/663518001.db2.gz DWJAVMVAHSSADM-KGLIPLIRSA-N 1 0 398.301 2.541 20 0 GFADRO Cn1ncc(I)c1C[NH2+]C(C)(C)[C@@H](O)c1ccccc1 ZINC000895661450 663522517 /nfs/dbraw/zinc/52/25/17/663522517.db2.gz HORQWSGBXNWYLH-AWEZNQCLSA-N 1 0 385.249 2.627 20 0 GFADRO Cn1ncc(Br)c1Cc1nc(-c2ccc(C[NH+](C)C)cc2)no1 ZINC000895967123 663535512 /nfs/dbraw/zinc/53/55/12/663535512.db2.gz XLYUCRMCYCYJAL-UHFFFAOYSA-N 1 0 376.258 2.885 20 0 GFADRO Cn1cc(C(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)c(Br)n1 ZINC000895994629 663536516 /nfs/dbraw/zinc/53/65/16/663536516.db2.gz OCKLFFYMXAKBSZ-GFCCVEGCSA-N 1 0 397.342 2.886 20 0 GFADRO C[NH+]1CCC2(CCN2C(=O)N[C@@H]2COc3cccc(Br)c3C2)CC1 ZINC000896244260 663546521 /nfs/dbraw/zinc/54/65/21/663546521.db2.gz GRPFRNXGWSNJJY-ZDUSSCGKSA-N 1 0 394.313 2.632 20 0 GFADRO C[NH+]1CCC2(CCN2C(=O)N[C@@H]2[C@@H]3Cc4ccc(Br)cc4[C@@H]32)CC1 ZINC000896257679 663547541 /nfs/dbraw/zinc/54/75/41/663547541.db2.gz RNHJOZKLGORSEV-IXDOHACOSA-N 1 0 390.325 2.967 20 0 GFADRO Cn1cc(C[NH2+]C[C@]2(C)CCN(C(=O)OC(C)(C)C)C2)c(Br)n1 ZINC000896283038 663549218 /nfs/dbraw/zinc/54/92/18/663549218.db2.gz ZNMWBDYPSVUFNQ-INIZCTEOSA-N 1 0 387.322 2.919 20 0 GFADRO C[C@]1([C@H]2CCC[N@H+](Cc3cn4ccc(Br)cc4n3)C2)COC(=O)N1 ZINC000896393616 663554956 /nfs/dbraw/zinc/55/49/56/663554956.db2.gz JJTOEZDEODDMQY-YVEFUNNKSA-N 1 0 393.285 2.807 20 0 GFADRO CN1CCC[C@@H]1c1cc(C(=O)NC[C@@H](O)c2cc(Cl)cc(Cl)c2)[nH]n1 ZINC000896441119 663557513 /nfs/dbraw/zinc/55/75/13/663557513.db2.gz QVQIVHANSXNMDS-HZPDHXFCSA-N 1 0 383.279 2.947 20 0 GFADRO OC[C@H](CCc1ccccc1)[NH2+]Cc1cnn2cc(Br)cnc12 ZINC000896517402 663559986 /nfs/dbraw/zinc/55/99/86/663559986.db2.gz FHGHTPCDWNNTSY-INIZCTEOSA-N 1 0 375.270 2.575 20 0 GFADRO C[C@@H](NC(=O)c1cnc(-c2ccccc2Cl)s1)[C@@H]1C[N@H+](C)CCN1C ZINC000896563646 663564291 /nfs/dbraw/zinc/56/42/91/663564291.db2.gz MFNVBIGNYBEQIX-DOMZBBRYSA-N 1 0 378.929 2.828 20 0 GFADRO C[C@@H](NC(=O)c1csc(-c2ccc(Cl)cc2)n1)[C@H]1C[N@H+](C)CCN1C ZINC000896575744 663565687 /nfs/dbraw/zinc/56/56/87/663565687.db2.gz BWGGMVXHFLTSRR-MLGOLLRUSA-N 1 0 378.929 2.828 20 0 GFADRO CC(C)C[NH+]1CCN(C(=O)/C=C\c2ccc(I)o2)CC1 ZINC000896592098 663567132 /nfs/dbraw/zinc/56/71/32/663567132.db2.gz AFZLESYQOZUEKN-XQRVVYSFSA-N 1 0 388.249 2.698 20 0 GFADRO O=C(c1nn2c(c1Br)CCC2)N1CCC(C[NH+]2CCCC2)CC1 ZINC000896623181 663568719 /nfs/dbraw/zinc/56/87/19/663568719.db2.gz AGEDFJVQUUQOPD-UHFFFAOYSA-N 1 0 381.318 2.540 20 0 GFADRO CC[NH+](CC)C[C@H]1CCN(C(=O)NCC2(n3cc(Br)cn3)CC2)C1 ZINC000896696253 663571903 /nfs/dbraw/zinc/57/19/03/663571903.db2.gz BEPYVSPASIIFCJ-CQSZACIVSA-N 1 0 398.349 2.508 20 0 GFADRO Cc1c(Br)cc(-c2noc(CCCC[NH+]3CCCC3)n2)c(=O)n1C ZINC000896998269 663585306 /nfs/dbraw/zinc/58/53/06/663585306.db2.gz BAPLDAIOQVJFMN-UHFFFAOYSA-N 1 0 395.301 2.925 20 0 GFADRO O[C@@H]1CCOC2(CC[NH+](Cc3nc4ccccn4c3Br)CC2)C1 ZINC000897259894 663597244 /nfs/dbraw/zinc/59/72/44/663597244.db2.gz WHKHXUDNYKHORO-CYBMUJFWSA-N 1 0 380.286 2.603 20 0 GFADRO COCCOc1c(Cl)cc(NC(=O)C2C[NH+]([C@H]3CCOC3)C2)cc1Cl ZINC000897305193 663599446 /nfs/dbraw/zinc/59/94/46/663599446.db2.gz UBYJBYCPVOAYMN-ZDUSSCGKSA-N 1 0 389.279 2.678 20 0 GFADRO C[C@@H]1CCC[N@@H+]1CCNC(=O)N(C)C[C@H](O)c1cccc(Br)c1 ZINC000897509715 663608030 /nfs/dbraw/zinc/60/80/30/663608030.db2.gz ADABBZBMIPWGRC-CJNGLKHVSA-N 1 0 384.318 2.608 20 0 GFADRO CC(C)(C)OC(=O)N1C[C@@H]([NH2+]Cc2ccc(S(C)(=O)=O)s2)C(C)(C)C1 ZINC000897552911 663610061 /nfs/dbraw/zinc/61/00/61/663610061.db2.gz XXQJTBZZJUZEQP-CYBMUJFWSA-N 1 0 388.555 2.887 20 0 GFADRO C[NH+](C)[C@@H]1CCCN(C(=O)COCCc2ccc(Br)cc2)CC1 ZINC000897569310 663611588 /nfs/dbraw/zinc/61/15/88/663611588.db2.gz FXTHVHJYSALKDX-QGZVFWFLSA-N 1 0 383.330 2.951 20 0 GFADRO O=C(Nc1cccc2cc(Br)cnc21)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000897730712 663617536 /nfs/dbraw/zinc/61/75/36/663617536.db2.gz OYRAEQHKPMWHDV-CQSZACIVSA-N 1 0 376.254 2.657 20 0 GFADRO O=S(=O)(CC[NH2+]Cc1ccc(Br)c2cccnc12)N1CCCC1 ZINC000897830860 663621902 /nfs/dbraw/zinc/62/19/02/663621902.db2.gz RYSHGHYIYRIYIL-UHFFFAOYSA-N 1 0 398.326 2.513 20 0 GFADRO Cc1cc(Br)ccc1C(=O)N1CCC([NH2+][C@H]2CC23CC(O)C3)CC1 ZINC000897849012 663622423 /nfs/dbraw/zinc/62/24/23/663622423.db2.gz UBICESQIVVWOAT-RMXPPQQLSA-N 1 0 393.325 2.865 20 0 GFADRO COCc1ccc(C[NH2+][C@H]2Cc3cc(Br)cnc3NC2=O)cc1 ZINC000897977461 663628055 /nfs/dbraw/zinc/62/80/55/663628055.db2.gz HNBHAKJURXHZSC-HNNXBMFYSA-N 1 0 376.254 2.644 20 0 GFADRO COC(=O)CC(C)(C)C[C@@H](C)[NH2+][C@H]1Cc2cc(Br)cnc2NC1=O ZINC000897977990 663628407 /nfs/dbraw/zinc/62/84/07/663628407.db2.gz JQSVRXBFERDUAQ-MFKMUULPSA-N 1 0 398.301 2.665 20 0 GFADRO COC(=O)c1c[nH]c(C[NH2+][C@H]2CCc3ncc(Br)n3C2)c1C1CC1 ZINC000898722300 663660849 /nfs/dbraw/zinc/66/08/49/663660849.db2.gz ZSCCHZOTJJEZJK-NSHDSACASA-N 1 0 393.285 2.742 20 0 GFADRO Cn1cc(C[NH2+][C@@H]2CCc3ncc(Br)n3C2)c(-c2cccnc2)n1 ZINC000898723966 663661033 /nfs/dbraw/zinc/66/10/33/663661033.db2.gz LBFZGCORNMDTMZ-CQSZACIVSA-N 1 0 387.285 2.546 20 0 GFADRO O=C(N[C@@H]1CSCc2ccc(Br)cc21)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000898723986 663661036 /nfs/dbraw/zinc/66/10/36/663661036.db2.gz MADOKVNKJHMOCM-GDBMZVCRSA-N 1 0 397.338 2.574 20 0 GFADRO CC(C)(C)CC(=O)N1CCC([NH2+][C@@H]2CCc3ncc(Br)n3C2)CC1 ZINC000898723572 663661081 /nfs/dbraw/zinc/66/10/81/663661081.db2.gz GLTMNPZODNCCDJ-CQSZACIVSA-N 1 0 397.361 2.977 20 0 GFADRO Brc1cnc2n1C[C@@H]([NH2+]C1CCN(c3nccs3)CC1)CC2 ZINC000898726107 663661508 /nfs/dbraw/zinc/66/15/08/663661508.db2.gz YBGNKACKMZEVBX-LBPRGKRZSA-N 1 0 382.331 2.676 20 0 GFADRO Brc1cnc2n1C[C@H]([NH2+]C1CCN(c3nccs3)CC1)CC2 ZINC000898726106 663661637 /nfs/dbraw/zinc/66/16/37/663661637.db2.gz YBGNKACKMZEVBX-GFCCVEGCSA-N 1 0 382.331 2.676 20 0 GFADRO O=C(N[C@H](CCO)c1cc(Cl)cc(Cl)c1)C1C[NH+](C2CCOCC2)C1 ZINC000899147115 663677602 /nfs/dbraw/zinc/67/76/02/663677602.db2.gz ANDTUUCAYLOFIC-QGZVFWFLSA-N 1 0 387.307 2.644 20 0 GFADRO CCC1([NH+]2CCC2)CCN(C(=O)c2cc(Br)c(C)n(C)c2=O)CC1 ZINC000899558321 663693733 /nfs/dbraw/zinc/69/37/33/663693733.db2.gz BVLGPISABXKRMH-UHFFFAOYSA-N 1 0 396.329 2.547 20 0 GFADRO S=C(NC[C@H]1CC[N@@H+]1C1CCOCC1)Nc1cccc(Br)c1 ZINC000899602525 663695029 /nfs/dbraw/zinc/69/50/29/663695029.db2.gz SQRPVQYFONALLT-OAHLLOKOSA-N 1 0 384.343 2.989 20 0 GFADRO [NH3+][C@H](c1cn([C@@H]2CCOc3ccc(Br)cc32)nn1)C1CCOCC1 ZINC000899739764 663699713 /nfs/dbraw/zinc/69/97/13/663699713.db2.gz VZMIITMUVHAMQD-WBVHZDCISA-N 1 0 393.285 2.839 20 0 GFADRO O=C1Nc2ccc(Br)cc2[C@H]1Cc1nc([C@H]2CCC[NH2+]C2)no1 ZINC000900011716 663706491 /nfs/dbraw/zinc/70/64/91/663706491.db2.gz GIWXXKBRJVUUDG-JOYOIKCWSA-N 1 0 377.242 2.578 20 0 GFADRO CC(C)[NH+]1CCN(CCCC(=O)NCc2ccc(Br)cc2)CC1 ZINC000900305458 663712075 /nfs/dbraw/zinc/71/20/75/663712075.db2.gz INEDCZYBQMNSLL-UHFFFAOYSA-N 1 0 382.346 2.872 20 0 GFADRO C[NH+]1CCC(NCc2cn(CCOc3cc(Cl)cc(Cl)c3)nn2)CC1 ZINC000900545792 663716811 /nfs/dbraw/zinc/71/68/11/663716811.db2.gz DQYBWAKIRILJID-UHFFFAOYSA-N 1 0 384.311 2.848 20 0 GFADRO Cc1ccc(F)c(Br)c1C(=O)NCCCN1CCC[N@@H+](C)CC1 ZINC000900695449 663719925 /nfs/dbraw/zinc/71/99/25/663719925.db2.gz NOAQDHMCGUQZQW-UHFFFAOYSA-N 1 0 386.309 2.654 20 0 GFADRO Cc1cc(Br)cc(Cl)c1C(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCN1C ZINC000900801424 663721882 /nfs/dbraw/zinc/72/18/82/663721882.db2.gz DDGMDYPBPZSFNW-FZMZJTMJSA-N 1 0 388.737 2.775 20 0 GFADRO C[C@H](NC(=O)COc1c(Cl)cc(Cl)cc1Cl)[C@H]1C[N@H+](C)CCN1C ZINC000900812135 663722091 /nfs/dbraw/zinc/72/20/91/663722091.db2.gz RYMWJDBFUHZBEC-IINYFYTJSA-N 1 0 394.730 2.776 20 0 GFADRO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)[C@@H](O)c2cccc(Br)c2)C1 ZINC000900914925 663723811 /nfs/dbraw/zinc/72/38/11/663723811.db2.gz LVLJVOPBIDNHJI-PBHICJAKSA-N 1 0 381.314 2.673 20 0 GFADRO Cc1ccc(F)c(Br)c1C(=O)NCCCC[N@@H+]1CCC[C@@H]1CO ZINC000901140627 663730972 /nfs/dbraw/zinc/73/09/72/663730972.db2.gz UKEHKYOGQCPOMQ-CYBMUJFWSA-N 1 0 387.293 2.863 20 0 GFADRO C[C@H](NC(=O)CN1CSCCSC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000901359353 663734624 /nfs/dbraw/zinc/73/46/24/663734624.db2.gz DWOXUFSZWGZDCI-FUHWJXTLSA-N 1 0 379.595 2.710 20 0 GFADRO C[C@@H]([NH2+][C@@H]1CCc2ncc(Br)n2C1)c1cn(-c2ccccc2)nn1 ZINC000901727142 663743662 /nfs/dbraw/zinc/74/36/62/663743662.db2.gz CVMHBSPUPLBQEM-CHWSQXEVSA-N 1 0 387.285 2.892 20 0 GFADRO COc1cccc(Br)c1OCC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000902286349 663758481 /nfs/dbraw/zinc/75/84/81/663758481.db2.gz SGAGQLOZJBRFKY-UHFFFAOYSA-N 1 0 385.302 2.826 20 0 GFADRO C[C@H]([NH2+]C1CCN(Cc2ccc(Br)cc2)CC1)c1cn(C)nn1 ZINC000902843810 663768501 /nfs/dbraw/zinc/76/85/01/663768501.db2.gz ZPTGGYGYNGQUIQ-ZDUSSCGKSA-N 1 0 378.318 2.893 20 0 GFADRO CCCn1cc([C@H](C)[NH2+]C[C@@H](CO)Cc2cccc(Br)c2)nn1 ZINC000902972806 663770151 /nfs/dbraw/zinc/77/01/51/663770151.db2.gz IOAFAUZKETUPEX-ZFWWWQNUSA-N 1 0 381.318 2.952 20 0 GFADRO O=C(CC[N@@H+]1CC[C@@H](Nc2ncccn2)C1)Nc1ccccc1Br ZINC000903021133 663771186 /nfs/dbraw/zinc/77/11/86/663771186.db2.gz OEJZNMLZUZPLPA-CYBMUJFWSA-N 1 0 390.285 2.754 20 0 GFADRO C[C@H](CO[C@@H]1CCOC1)[NH2+][C@@H](C)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000903110321 663773947 /nfs/dbraw/zinc/77/39/47/663773947.db2.gz NIEQUJVPPVGODY-MBNYWOFBSA-N 1 0 381.416 2.825 20 0 GFADRO Brc1ccc(CN2CCC([NH2+][C@@H]3CCO[C@]34CCOC4)CC2)cc1 ZINC000903112519 663774158 /nfs/dbraw/zinc/77/41/58/663774158.db2.gz HCXKYEWCOXKSLL-MOPGFXCFSA-N 1 0 395.341 2.951 20 0 GFADRO CC(C)N1CC[C@H]([NH2+][C@H](C)c2cccc(S(=O)(=O)C(F)(F)F)c2)C1=O ZINC000903121012 663774507 /nfs/dbraw/zinc/77/45/07/663774507.db2.gz RGSNBEVJJUWMGB-RISCZKNCSA-N 1 0 378.416 2.640 20 0 GFADRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@H](C)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000903130802 663775224 /nfs/dbraw/zinc/77/52/24/663775224.db2.gz OSOQVJJXIMHGDM-HONMWMINSA-N 1 0 378.416 2.545 20 0 GFADRO CCOC(=O)C(F)(F)[C@@H]1CC[C@@H]([NH2+]CC2CCC(S(C)(=O)=O)CC2)C1 ZINC000903155430 663776306 /nfs/dbraw/zinc/77/63/06/663776306.db2.gz XJPZYCFHCTWPKE-PIOWNMBXSA-N 1 0 381.485 2.547 20 0 GFADRO Cc1cccc(C)c1N(C[C@@H](C)[NH+](C)C)S(=O)(=O)c1cn(C)c(Cl)n1 ZINC000903160929 663776416 /nfs/dbraw/zinc/77/64/16/663776416.db2.gz WJXMLIIDMNWIIH-CQSZACIVSA-N 1 0 384.933 2.836 20 0 GFADRO CCOC1CC(O)(C[NH2+][C@@H](C)c2cccc(S(=O)(=O)C(F)(F)F)c2)C1 ZINC000903158605 663776451 /nfs/dbraw/zinc/77/64/51/663776451.db2.gz CHOZRHQLISFLPK-ZOODHJKOSA-N 1 0 381.416 2.561 20 0 GFADRO CO[C@@H]1COCC[C@@H]1C[NH2+][C@@H](C)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000903179824 663777118 /nfs/dbraw/zinc/77/71/18/663777118.db2.gz UFFIAWOGDMRKCS-NJZAAPMLSA-N 1 0 381.416 2.682 20 0 GFADRO COc1cc([C@H](C)[NH2+]C[C@@H]2CC[C@H](C(F)(F)F)O2)ccc1S(C)(=O)=O ZINC000903180632 663777229 /nfs/dbraw/zinc/77/72/29/663777229.db2.gz GOKLDQHAGYQMAZ-ITDIGPHOSA-N 1 0 381.416 2.859 20 0 GFADRO Cc1csc(-c2ccc(S(=O)(=O)N3CCC([NH+]4CCC4)CC3)cc2)n1 ZINC000903203900 663778425 /nfs/dbraw/zinc/77/84/25/663778425.db2.gz GWBQLWUWEDIWML-UHFFFAOYSA-N 1 0 377.535 2.977 20 0 GFADRO C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CC[C@H]1CC(=O)N(C)C1 ZINC000903218228 663778832 /nfs/dbraw/zinc/77/88/32/663778832.db2.gz KDCDYGQNQWBCFM-STQMWFEESA-N 1 0 382.302 2.624 20 0 GFADRO CS(C)(=O)=NS(=O)(=O)CC[NH2+][C@@H]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000903226127 663779118 /nfs/dbraw/zinc/77/91/18/663779118.db2.gz LJFYEHSKLMEZEB-DZGCQCFKSA-N 1 0 378.947 2.623 20 0 GFADRO CS(C)(=O)=NS(=O)(=O)CC[NH2+][C@@H]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000903228216 663779476 /nfs/dbraw/zinc/77/94/76/663779476.db2.gz XDTPUARWSNTUNG-UKRRQHHQSA-N 1 0 378.947 2.623 20 0 GFADRO C[C@H]([NH2+]C[C@H]1CCCC[C@H]1NS(C)(=O)=O)c1nc(Br)cs1 ZINC000903233827 663780185 /nfs/dbraw/zinc/78/01/85/663780185.db2.gz JHTGESOTJSJIDJ-HBNTYKKESA-N 1 0 396.376 2.664 20 0 GFADRO COc1ccc2c(c1)[C@H]([NH2+][C@H]1Cc3cc(Br)cnc3NC1=O)CC2 ZINC000903326899 663782157 /nfs/dbraw/zinc/78/21/57/663782157.db2.gz VTLVITPCNFDYQZ-CVEARBPZSA-N 1 0 388.265 2.993 20 0 GFADRO Cn1nnnc1CCC[NH2+][C@@H](c1cccc(Br)c1)C1CCOCC1 ZINC000903348388 663782474 /nfs/dbraw/zinc/78/24/74/663782474.db2.gz BDOOSRZJZBCHHI-QGZVFWFLSA-N 1 0 394.317 2.663 20 0 GFADRO COc1cc([C@H](C)[NH2+]C[C@@]2(OC)CCS(=O)(=O)C2)ccc1SC(F)F ZINC000903367421 663783232 /nfs/dbraw/zinc/78/32/32/663783232.db2.gz ISHBSCZYUQMMPB-ZBEGNZNMSA-N 1 0 395.493 2.864 20 0 GFADRO C[C@H]([NH2+]CCCn1ccc(=O)[nH]c1=O)c1ncc(C(F)(F)F)cc1Cl ZINC000903430264 663784408 /nfs/dbraw/zinc/78/44/08/663784408.db2.gz WNKCIKHMLATXFM-VIFPVBQESA-N 1 0 376.766 2.757 20 0 GFADRO C[C@H](N[C@H]1CC[NH2+]C12CCC2)C(=O)N(C)Cc1ccc(Br)cc1 ZINC000903468836 663785143 /nfs/dbraw/zinc/78/51/43/663785143.db2.gz OPJJAVYAVBNATI-BBRMVZONSA-N 1 0 380.330 2.670 20 0 GFADRO O=S(=O)(c1c[nH]c2cc(Br)ccc21)N(C1CC1)C1CC[NH2+]CC1 ZINC000903483899 663785504 /nfs/dbraw/zinc/78/55/04/663785504.db2.gz PTLLXQGTTHKQSZ-UHFFFAOYSA-N 1 0 398.326 2.836 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(S(=O)(=O)c3cc4ccccc4s3)C2)C1 ZINC000903505780 663785974 /nfs/dbraw/zinc/78/59/74/663785974.db2.gz JZRIQLYNBHKCMK-XHSDSOJGSA-N 1 0 380.535 2.808 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CCN(S(=O)(=O)Cc2cccc(Cl)c2Br)C1 ZINC000903518111 663786752 /nfs/dbraw/zinc/78/67/52/663786752.db2.gz MMWSDUZPBABMIV-ZJUUUORDSA-N 1 0 381.723 2.601 20 0 GFADRO O=S(=O)(Cc1cccc(Cl)c1Br)N[C@H]1CC12CC[NH2+]CC2 ZINC000903518268 663786823 /nfs/dbraw/zinc/78/68/23/663786823.db2.gz IUEMRNRDNCFPMH-LBPRGKRZSA-N 1 0 393.734 2.664 20 0 GFADRO C[C@H]1C[C@@H](NS(=O)(=O)Cc2cccc(Cl)c2Br)CC[NH2+]1 ZINC000903519374 663786960 /nfs/dbraw/zinc/78/69/60/663786960.db2.gz ZTTNWSMCMIWOTJ-ONGXEEELSA-N 1 0 381.723 2.662 20 0 GFADRO O=S(=O)(N[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc(Cl)cc1 ZINC000903573143 663789490 /nfs/dbraw/zinc/78/94/90/663789490.db2.gz GEERZEWZVSKQME-WMZOPIPTSA-N 1 0 378.881 2.874 20 0 GFADRO [NH3+][C@@H]1CN(S(=O)(=O)c2c(Cl)cccc2Cl)CC[C@@H]1C(F)(F)F ZINC000903578303 663789935 /nfs/dbraw/zinc/78/99/35/663789935.db2.gz FSQHZBCGCLCICR-OIBJUYFYSA-N 1 0 377.215 2.894 20 0 GFADRO [NH3+][C@@H]1CN(S(=O)(=O)c2ccc3nc(Cl)sc3c2)CC[C@H]1C(F)(F)F ZINC000903578393 663789939 /nfs/dbraw/zinc/78/99/39/663789939.db2.gz GZPQRWJPTOJIHC-RKDXNWHRSA-N 1 0 399.847 2.850 20 0 GFADRO C[C@@]1(CS(=O)(=O)N2C[C@@H](C[NH3+])Cc3cc(F)ccc32)CC1(Cl)Cl ZINC000903588585 663790844 /nfs/dbraw/zinc/79/08/44/663790844.db2.gz LEWWJITZPAYPIY-YGRLFVJLSA-N 1 0 381.300 2.677 20 0 GFADRO Brc1ccccc1[C@@H]1CN(C[C@@H]2CC3(CO2)CC[NH2+]CC3)CCO1 ZINC000903726517 663805118 /nfs/dbraw/zinc/80/51/18/663805118.db2.gz MJFNXNQONHOSTJ-YJBOKZPZSA-N 1 0 395.341 2.981 20 0 GFADRO Brc1ccc([C@@H]2COCCN2C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)cc1 ZINC000903767148 663806081 /nfs/dbraw/zinc/80/60/81/663806081.db2.gz UTEDQYGMZSQKPR-OKZBNKHCSA-N 1 0 381.314 2.591 20 0 GFADRO Brc1ccc([C@H]2COCCN2C[C@@H]2CC3(CO2)CC[NH2+]CC3)cc1 ZINC000903767153 663806188 /nfs/dbraw/zinc/80/61/88/663806188.db2.gz UTZJJJJDFYZWQV-ZWKOTPCHSA-N 1 0 395.341 2.981 20 0 GFADRO COCC[C@H]1C[NH2+]CCN1Cc1coc(-c2ccc(Br)cc2)n1 ZINC000903836652 663808195 /nfs/dbraw/zinc/80/81/95/663808195.db2.gz QUBIMTPZPJVVGQ-INIZCTEOSA-N 1 0 380.286 2.914 20 0 GFADRO N[C@@H](C[NH2+]C1CCN(Cc2cccc(Br)c2)CC1)CC(F)F ZINC000903929129 663812213 /nfs/dbraw/zinc/81/22/13/663812213.db2.gz AQCFHGOXRCFEIE-CQSZACIVSA-N 1 0 376.289 2.986 20 0 GFADRO COc1cc(CNCc2cc(N)cc[nH+]2)cc(I)c1OC ZINC000903950087 663813703 /nfs/dbraw/zinc/81/37/03/663813703.db2.gz IEAFHEXSYSMZAX-UHFFFAOYSA-N 1 0 399.232 2.575 20 0 GFADRO COc1cc(Br)c(CN2CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C2)cc1O ZINC000903983625 663815196 /nfs/dbraw/zinc/81/51/96/663815196.db2.gz KMIQPSSTSYWPKP-KOLCDFICSA-N 1 0 383.208 2.875 20 0 GFADRO CCS(=O)(=O)c1c(Cl)cccc1CN1CC[C@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903984341 663815533 /nfs/dbraw/zinc/81/55/33/663815533.db2.gz UJFQKLZNQZSMPX-WCQYABFASA-N 1 0 384.851 2.845 20 0 GFADRO C[NH2+]CCCCc1nc(COc2ccc(I)cc2)no1 ZINC000904116853 663825086 /nfs/dbraw/zinc/82/50/86/663825086.db2.gz NWWPBALVPFNDDF-UHFFFAOYSA-N 1 0 387.221 2.795 20 0 GFADRO Cc1c(Br)cc(-c2noc(C34CCC[NH+](CCC3)C4)n2)c(=O)n1C ZINC000904157346 663826391 /nfs/dbraw/zinc/82/63/91/663826391.db2.gz SQGFCWWLSRBHMB-UHFFFAOYSA-N 1 0 393.285 2.634 20 0 GFADRO C[C@H]1CCCN(C(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)[C@@H]1CC[NH3+] ZINC000904278379 663829939 /nfs/dbraw/zinc/82/99/39/663829939.db2.gz HSAKZMDHSNCDKD-SMDDNHRTSA-N 1 0 375.441 2.664 20 0 GFADRO C[C@@H]1CCCN(C(=O)Nc2cc(Br)cn(C)c2=O)[C@@H]1CCC[NH3+] ZINC000904367543 663831823 /nfs/dbraw/zinc/83/18/23/663831823.db2.gz DUPQSZAQYKZZNF-BXUZGUMPSA-N 1 0 385.306 2.519 20 0 GFADRO COC[C@@H]1C[NH2+]CCN1C(=O)Nc1cc(Br)ccc1N1CCCC1 ZINC000904378646 663832114 /nfs/dbraw/zinc/83/21/14/663832114.db2.gz GQRWQBTZHXYMSK-AWEZNQCLSA-N 1 0 397.317 2.501 20 0 GFADRO COC(=O)c1cccc(NC(=O)N2CC[C@H]3CC[C@@]32C[NH3+])c1Br ZINC000904448575 663834772 /nfs/dbraw/zinc/83/47/72/663834772.db2.gz BOZUAQQFFNPNLM-QLJPJBMISA-N 1 0 382.258 2.581 20 0 GFADRO CN(C(=O)Nc1cc(F)cc(Br)c1F)C1(C[NH3+])CCOCC1 ZINC000904452090 663835145 /nfs/dbraw/zinc/83/51/45/663835145.db2.gz GRSXVGKCXLDIER-UHFFFAOYSA-N 1 0 378.217 2.699 20 0 GFADRO COC[C@@H]1C[NH2+]CCN1C(=O)Nc1ccc(Br)c(OC(C)C)c1 ZINC000904532221 663836898 /nfs/dbraw/zinc/83/68/98/663836898.db2.gz ZEHHMVWUTOQUCW-ZDUSSCGKSA-N 1 0 386.290 2.688 20 0 GFADRO COCCOc1ccc(NC(=O)NCC[C@@H]2CC[NH2+]C2)cc1Br ZINC000904550204 663837713 /nfs/dbraw/zinc/83/77/13/663837713.db2.gz CVRIHLMXFIUILP-LBPRGKRZSA-N 1 0 386.290 2.595 20 0 GFADRO [NH3+]Cc1ccccc1NC(=O)NC[C@H](CO)Cc1ccc(Br)cc1 ZINC000904641379 663839258 /nfs/dbraw/zinc/83/92/58/663839258.db2.gz ULINQJGBGLYSTB-CQSZACIVSA-N 1 0 392.297 2.881 20 0 GFADRO CC(C)C[C@H]([NH3+])Cc1nc(CC(=O)Nc2ccccc2Br)no1 ZINC000904691643 663841188 /nfs/dbraw/zinc/84/11/88/663841188.db2.gz ZRDKTGLOUFCTGM-NSHDSACASA-N 1 0 381.274 2.929 20 0 GFADRO C[C@H]([NH3+])C1(c2nc(Cc3cc(F)cc(Br)c3)no2)CCOCC1 ZINC000904712551 663841879 /nfs/dbraw/zinc/84/18/79/663841879.db2.gz MAWBNTBEADOQSB-JTQLQIEISA-N 1 0 384.249 2.957 20 0 GFADRO C[C@H]([NH3+])C1(c2nc(-c3ccc(N(C)C)c(Br)c3)no2)CCOCC1 ZINC000904727503 663842495 /nfs/dbraw/zinc/84/24/95/663842495.db2.gz IHWGCKHUXUFTIO-NSHDSACASA-N 1 0 395.301 2.961 20 0 GFADRO CC(C)[N@@H+]1CCC[C@H]1C(=O)Nc1ccnn1-c1ccc(Br)cn1 ZINC000904959998 663848507 /nfs/dbraw/zinc/84/85/07/663848507.db2.gz GKZGDYCNIGYMFT-ZDUSSCGKSA-N 1 0 378.274 2.841 20 0 GFADRO O[C@@H](C[NH2+]C[C@H]1CCN(c2cccc(Br)c2)C1)CC1(O)CCCC1 ZINC000905067095 663851256 /nfs/dbraw/zinc/85/12/56/663851256.db2.gz FJXKWOWBHNPPKK-CRAIPNDOSA-N 1 0 397.357 2.921 20 0 GFADRO COc1cc(C[NH2+]C[C@@H](O)CC2(O)CCCC2)cc(Br)c1OC ZINC000905079853 663851474 /nfs/dbraw/zinc/85/14/74/663851474.db2.gz KHGCZOXCABSJRT-ZDUSSCGKSA-N 1 0 388.302 2.612 20 0 GFADRO CC[C@@H](C[NH2+]C[C@H](O)C1(O)CCOCC1)Cc1cccc(Br)c1 ZINC000905128595 663854120 /nfs/dbraw/zinc/85/41/20/663854120.db2.gz SLBCTYZUSLBDLS-PBHICJAKSA-N 1 0 386.330 2.510 20 0 GFADRO C[C@@H]1C[C@H]([NH2+]C[C@@H](O)c2ccc(Cl)c(Cl)c2)C(=O)N1c1cnn(C)c1 ZINC000905144453 663855253 /nfs/dbraw/zinc/85/52/53/663855253.db2.gz JFKWGVYASWZELO-HPEXNQPKSA-N 1 0 383.279 2.544 20 0 GFADRO CN(Cc1ncc(Br)cn1)C(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000905163229 663856067 /nfs/dbraw/zinc/85/60/67/663856067.db2.gz OWSOBWWENDLGKP-GFCCVEGCSA-N 1 0 398.330 2.745 20 0 GFADRO C[C@H](NS(=O)(=O)CC1CC[NH2+]CC1)c1ccc(OCC(F)(F)F)cc1 ZINC000905334439 663866183 /nfs/dbraw/zinc/86/61/83/663866183.db2.gz IMGMOVPOIZCUIE-LBPRGKRZSA-N 1 0 380.432 2.608 20 0 GFADRO OCC1(C[C@H](O)C[NH2+][C@@H]2[C@H]3Cc4c(cccc4Br)[C@@H]23)CCCC1 ZINC000905400033 663869666 /nfs/dbraw/zinc/86/96/66/663869666.db2.gz RFDRLCPLKGXDKM-PWUKJLEFSA-N 1 0 380.326 2.981 20 0 GFADRO COC[C@H]1C[C@@H]([NH2+]C[C@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000905431007 663871191 /nfs/dbraw/zinc/87/11/91/663871191.db2.gz RCYNNKQYMMYQAS-UHTWSYAYSA-N 1 0 378.694 2.857 20 0 GFADRO O[C@@H](C[NH2+]Cc1cc(C2CC2)no1)COc1cc(F)cc(Br)c1 ZINC000905464344 663872563 /nfs/dbraw/zinc/87/25/63/663872563.db2.gz GNZBLZOXEPOPFT-ZDUSSCGKSA-N 1 0 385.233 2.983 20 0 GFADRO C[C@@](O)(C[C@H](O)C[NH2+]Cc1ccn(-c2ccc(Br)cc2)n1)C1CC1 ZINC000905478825 663873218 /nfs/dbraw/zinc/87/32/18/663873218.db2.gz NVRGZIPCYNOUFP-ZWKOTPCHSA-N 1 0 394.313 2.636 20 0 GFADRO Cn1cc(C[NH2+]C[C@H](O)COCc2ccccc2Cl)c(Br)n1 ZINC000905519327 663875677 /nfs/dbraw/zinc/87/56/77/663875677.db2.gz AMWOFAKJXDPHLS-ZDUSSCGKSA-N 1 0 388.693 2.503 20 0 GFADRO O[C@H](C[NH2+]Cc1cc(Br)c2ccccc2c1)C[C@]1(O)CCOC1 ZINC000905517772 663875683 /nfs/dbraw/zinc/87/56/83/663875683.db2.gz VOYKIQSNLKIMIE-MAUKXSAKSA-N 1 0 380.282 2.594 20 0 GFADRO Cn1cc(C[NH2+]C[C@H](O)CO[C@@H]2CCCc3ccccc32)c(Br)n1 ZINC000905520844 663876042 /nfs/dbraw/zinc/87/60/42/663876042.db2.gz MGQOPLFVZWBPEU-DOTOQJQBSA-N 1 0 394.313 2.727 20 0 GFADRO O[C@@H](C[NH2+]CC1(C2(O)CCOCC2)CC1)c1ccc(F)c(Br)c1 ZINC000905550027 663877763 /nfs/dbraw/zinc/87/77/63/663877763.db2.gz CMMCHSKKEIBJHL-HNNXBMFYSA-N 1 0 388.277 2.533 20 0 GFADRO O=C(CC[NH2+]CC1(C2(O)CCOCC2)CC1)Nc1cccc(Br)c1 ZINC000905550065 663878031 /nfs/dbraw/zinc/87/80/31/663878031.db2.gz CUWUWXNWQXUJJL-UHFFFAOYSA-N 1 0 397.313 2.689 20 0 GFADRO O[C@@H](C[NH2+]C[C@@H]1CCC2(CCOCC2)O1)c1ccc(F)c(Br)c1 ZINC000905598152 663880438 /nfs/dbraw/zinc/88/04/38/663880438.db2.gz UORPOXLFOJXSSJ-BBRMVZONSA-N 1 0 388.277 2.939 20 0 GFADRO Cn1nc(C2CC2)cc1C[NH2+]C[C@@H](O)COc1ccc(Br)cc1 ZINC000905618822 663881722 /nfs/dbraw/zinc/88/17/22/663881722.db2.gz JLAVGKWXPBKLBW-OAHLLOKOSA-N 1 0 380.286 2.590 20 0 GFADRO O[C@H](C[NH2+]CCOC1CCSCC1)COc1ccc(Br)cc1 ZINC000905707335 663887832 /nfs/dbraw/zinc/88/78/32/663887832.db2.gz YNMTTZXDDDKSHQ-CQSZACIVSA-N 1 0 390.343 2.691 20 0 GFADRO NC(=O)[C@@H]([NH2+]C[C@H]1CCC2(CCOCC2)CO1)c1ccc(Br)cc1 ZINC000905782123 663892017 /nfs/dbraw/zinc/89/20/17/663892017.db2.gz XZWIVWBSZZPPDY-CVEARBPZSA-N 1 0 397.313 2.541 20 0 GFADRO Cc1cc(Br)c(CC(=O)NCCCC[NH+]2CCN(C)CC2)s1 ZINC000906112962 663926277 /nfs/dbraw/zinc/92/62/77/663926277.db2.gz WVFOHZQDOSRMFC-UHFFFAOYSA-N 1 0 388.375 2.505 20 0 GFADRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1cc(Br)cn(C2CC2)c1=O ZINC000906388242 663944298 /nfs/dbraw/zinc/94/42/98/663944298.db2.gz BMTOFEGMLYZKDG-STQMWFEESA-N 1 0 396.329 2.796 20 0 GFADRO O=C(C[C@H](O)C(Cl)(Cl)Cl)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000906566678 663958708 /nfs/dbraw/zinc/95/87/08/663958708.db2.gz MQGSALRJLCTXOP-GJZGRUSLSA-N 1 0 393.742 2.788 20 0 GFADRO CC[NH+](CC)CCN(CCOC)C(=O)c1nn(C(C)C)cc1Br ZINC000906579639 663959547 /nfs/dbraw/zinc/95/95/47/663959547.db2.gz XJYMTILGHVKXIF-UHFFFAOYSA-N 1 0 389.338 2.657 20 0 GFADRO O=C(c1cc(Br)cn(C2CC2)c1=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000906619376 663961015 /nfs/dbraw/zinc/96/10/15/663961015.db2.gz OPDBQRYFQVBWFD-HNNXBMFYSA-N 1 0 394.313 2.646 20 0 GFADRO CC(C)([NH3+])c1ccc(NC(=O)C(=O)N2CC[C@]3(C)[C@H](C2)C3(Cl)Cl)cc1 ZINC000906673072 663964466 /nfs/dbraw/zinc/96/44/66/663964466.db2.gz YPHSRINOLTZUQZ-SUMWQHHRSA-N 1 0 384.307 2.861 20 0 GFADRO O=C(Nc1ccc(Cl)cc1C(F)(F)F)C(=O)N1CCC[C@@]12CC[NH2+]C2 ZINC000906764635 663969212 /nfs/dbraw/zinc/96/92/12/663969212.db2.gz FRCVSEUJEALWKA-HNNXBMFYSA-N 1 0 375.778 2.652 20 0 GFADRO CCOc1c(Cl)cc(NC(=O)C(=O)N2CCC[C@@]23CC[NH2+]C3)cc1Cl ZINC000906765506 663969258 /nfs/dbraw/zinc/96/92/58/663969258.db2.gz NSXANKZTIDUMFB-KRWDZBQOSA-N 1 0 386.279 2.685 20 0 GFADRO C[C@H]1C[C@@H](N(C)C(=O)c2cnnn2-c2ccccc2Br)CC[N@@H+]1C ZINC000906793778 663971613 /nfs/dbraw/zinc/97/16/13/663971613.db2.gz SFMBZFNJOCIHMD-STQMWFEESA-N 1 0 392.301 2.585 20 0 GFADRO CC[NH+](CC)C[C@H]1CCN(C(=O)c2nscc2I)C1 ZINC000906839858 663975637 /nfs/dbraw/zinc/97/56/37/663975637.db2.gz FBMQTEUQSWXQOK-SNVBAGLBSA-N 1 0 393.294 2.552 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)c2cc(Br)cn(C3CC3)c2=O)C1 ZINC000906916583 663981970 /nfs/dbraw/zinc/98/19/70/663981970.db2.gz RHLONHWIPBWFEV-GXTWGEPZSA-N 1 0 382.302 2.548 20 0 GFADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)C(F)(F)c3ncccc3Br)CC[C@H]21 ZINC000907038142 663995279 /nfs/dbraw/zinc/99/52/79/663995279.db2.gz RACCZFPQMVEWBJ-DGCLKSJQSA-N 1 0 388.256 2.879 20 0 GFADRO C[N@H+]1CC=C(CNC(=O)c2ccc(Cn3cc(Br)cn3)s2)CC1 ZINC000907227946 664014088 /nfs/dbraw/zinc/01/40/88/664014088.db2.gz URWCBULVNWEGIW-UHFFFAOYSA-N 1 0 395.326 2.747 20 0 GFADRO O=S(=O)(NC1CC[NH+](C2CCOCC2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000907331074 664024048 /nfs/dbraw/zinc/02/40/48/664024048.db2.gz WJCSFFWGQBMFFM-UHFFFAOYSA-N 1 0 393.336 2.915 20 0 GFADRO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)S(=O)(=O)CC[C@H]3CCOC3)C2)s1 ZINC000907347501 664026867 /nfs/dbraw/zinc/02/68/67/664026867.db2.gz SAXXAFIADVAEKC-SJORKVTESA-N 1 0 386.583 2.567 20 0 GFADRO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)S(=O)(=O)N3CCC(C)CC3)C2)s1 ZINC000907347909 664027007 /nfs/dbraw/zinc/02/70/07/664027007.db2.gz WUQUGEMTATWJGT-KRWDZBQOSA-N 1 0 385.599 2.787 20 0 GFADRO C[N@@H+]1C[C@@H](O)C[C@@]1(C)C(=O)N1CCC(c2ccccc2Br)CC1 ZINC000907626186 664048843 /nfs/dbraw/zinc/04/88/43/664048843.db2.gz MCBJQLHBMNYLRJ-KSSFIOAISA-N 1 0 381.314 2.610 20 0 GFADRO C[NH+]1CC2(C1)CCN(C(=O)c1ccc(Cn3cc(Br)cn3)s1)C2 ZINC000907762152 664059812 /nfs/dbraw/zinc/05/98/12/664059812.db2.gz BCWHDEVKELGLFG-UHFFFAOYSA-N 1 0 395.326 2.533 20 0 GFADRO C[N@H+]1C[C@H]2CN(C(=O)c3ccc(OC(F)F)c(Br)c3)C[C@H]2C1 ZINC000907803640 664063026 /nfs/dbraw/zinc/06/30/26/664063026.db2.gz JYYQDJKZXASKLV-PHIMTYICSA-N 1 0 375.213 2.684 20 0 GFADRO C[C@H](NC(=O)C1CCC([NH+]2CCOCC2)CC1)c1ccc(Br)cn1 ZINC000907894044 664069504 /nfs/dbraw/zinc/06/95/04/664069504.db2.gz MRFZWJJGUZDKBG-HLIUYOAVSA-N 1 0 396.329 2.912 20 0 GFADRO C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)N1CCC(c2cccc(Br)c2)CC1 ZINC000907979956 664075301 /nfs/dbraw/zinc/07/53/01/664075301.db2.gz OHLDLAMYNYOSEP-SJLPKXTDSA-N 1 0 381.314 2.610 20 0 GFADRO CN1CC[NH+](CC2CN(C(=O)c3c(Cl)cccc3C(F)(F)F)C2)CC1 ZINC000908401068 664104332 /nfs/dbraw/zinc/10/43/32/664104332.db2.gz WYGRTYWGCWUHAN-UHFFFAOYSA-N 1 0 375.822 2.678 20 0 GFADRO Cn1c(-c2ccccc2Br)nnc1N1C[C@H]2C[N@H+](C)C[C@@]2(C)C1 ZINC000908601797 664116762 /nfs/dbraw/zinc/11/67/62/664116762.db2.gz KHYNAIDWLQTKAR-PXAZEXFGSA-N 1 0 376.302 2.633 20 0 GFADRO Cc1cc(C[NH+](C)C)ccc1NC(=O)c1c(Br)nc2n1CCOC2 ZINC000909598139 664164535 /nfs/dbraw/zinc/16/45/35/664164535.db2.gz LIYLVUQIHDISJH-UHFFFAOYSA-N 1 0 393.285 2.798 20 0 GFADRO C[N@@H+]1CCC[C@@H](CCNC(=O)C(F)(F)c2ncccc2Br)C1 ZINC000909913388 664183670 /nfs/dbraw/zinc/18/36/70/664183670.db2.gz DELBCCXHALJLIB-NSHDSACASA-N 1 0 376.245 2.784 20 0 GFADRO C[NH2+][C@@H]1CCN(C(=O)c2c(Cl)ccc(I)c2F)C1 ZINC000911660566 664251831 /nfs/dbraw/zinc/25/18/31/664251831.db2.gz KYJFKMLQWOIEHI-SSDOTTSWSA-N 1 0 382.604 2.518 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C[C@H]1c2cccc(Br)c2NC1=O ZINC000911682330 664252753 /nfs/dbraw/zinc/25/27/53/664252753.db2.gz AQKNFDDGJUVOKU-VHRBIJSZSA-N 1 0 380.286 2.603 20 0 GFADRO [NH3+]CCc1ccc(CNC(=O)C(F)(F)c2ncccc2Br)cc1 ZINC000911735637 664254776 /nfs/dbraw/zinc/25/47/76/664254776.db2.gz XVQPVYSISZVNGK-UHFFFAOYSA-N 1 0 384.224 2.754 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)c2cc3ccc(Br)cc3c(=O)o2)C1 ZINC000911825441 664257598 /nfs/dbraw/zinc/25/75/98/664257598.db2.gz ODSYNKNZLDESHI-ZYHUDNBSSA-N 1 0 379.254 2.755 20 0 GFADRO O=C(c1ccc(Cn2cc(Br)cn2)s1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000911855416 664258993 /nfs/dbraw/zinc/25/89/93/664258993.db2.gz FFQTYAZFJRFYFB-OLZOCXBDSA-N 1 0 395.326 2.722 20 0 GFADRO C[NH2+]C[C@@H]1CCCN1C(=O)c1cc(C)n(-c2ccccc2Br)n1 ZINC000911868129 664259890 /nfs/dbraw/zinc/25/98/90/664259890.db2.gz MUGXBPMRRHSDPR-ZDUSSCGKSA-N 1 0 377.286 2.767 20 0 GFADRO C[C@H]([NH3+])[C@H]1CN(C(=O)c2cc(Br)c(C(F)(F)F)cc2F)CCO1 ZINC000911885039 664260766 /nfs/dbraw/zinc/26/07/66/664260766.db2.gz SVVGEWJAGQRVTQ-JVXZTZIISA-N 1 0 399.182 2.795 20 0 GFADRO CS[C@@H]1CN(c2ccc(-c3nnc(Br)o3)cc2)C[C@@H]1[NH+](C)C ZINC000912008441 664265844 /nfs/dbraw/zinc/26/58/44/664265844.db2.gz WRPVYFXVVMPCPA-QWHCGFSZSA-N 1 0 383.315 2.981 20 0 GFADRO Cc1nc(-c2ccc(CNC(=O)C3=NOC4(C3)CC[NH2+]CC4)s2)cs1 ZINC000912133453 664271318 /nfs/dbraw/zinc/27/13/18/664271318.db2.gz NHWNBMMLMXSUDR-UHFFFAOYSA-N 1 0 376.507 2.695 20 0 GFADRO [NH3+]CCn1cc(Br)cc(C(=O)N[C@H](c2cccs2)C2CC2)c1=O ZINC000912169849 664273310 /nfs/dbraw/zinc/27/33/10/664273310.db2.gz BJCGWAYBFZBAFN-AWEZNQCLSA-N 1 0 396.310 2.512 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)c2cc(Br)cn(C3CC3)c2=O)C1 ZINC000912282364 664279448 /nfs/dbraw/zinc/27/94/48/664279448.db2.gz CUUTWKCHVDIIOQ-GFCCVEGCSA-N 1 0 396.329 2.796 20 0 GFADRO C[C@@]1(NC(=O)c2cc(=O)c3cc(Br)ccc3[nH]2)C[NH+]2CCC1CC2 ZINC000912377866 664284276 /nfs/dbraw/zinc/28/42/76/664284276.db2.gz GHVHOJGQAJGCSN-GOSISDBHSA-N 1 0 390.281 2.505 20 0 GFADRO CCN(Cc1cccc(Br)c1)C(=O)C1=NOC2(C1)CC[NH2+]CC2 ZINC000912404475 664285666 /nfs/dbraw/zinc/28/56/66/664285666.db2.gz YCPJNHZJHYYCLE-UHFFFAOYSA-N 1 0 380.286 2.696 20 0 GFADRO O=C(NCC1CCOCC1)C1(c2ccc(Br)cc2)CC[NH2+]CC1 ZINC000912442736 664286891 /nfs/dbraw/zinc/28/68/91/664286891.db2.gz QBHUZBRADJYSEN-UHFFFAOYSA-N 1 0 381.314 2.613 20 0 GFADRO O=C(c1ccc(NC2=[NH+]CCC2)cc1)N1CCn2ncc(Br)c2C1 ZINC000912536609 664292382 /nfs/dbraw/zinc/29/23/82/664292382.db2.gz SWJWFYJAZMHMNN-UHFFFAOYSA-N 1 0 388.269 2.906 20 0 GFADRO COc1ccc(Br)cc1C(=O)N1CCC(CO)([NH2+]CC(C)C)CC1 ZINC000912587544 664293869 /nfs/dbraw/zinc/29/38/69/664293869.db2.gz ASSXSBHGOCTKQD-UHFFFAOYSA-N 1 0 399.329 2.670 20 0 GFADRO CC(C)[NH+]1CCN(CCC(=O)N[C@@H](CO)c2cccc(Cl)c2Cl)CC1 ZINC000912702365 664298789 /nfs/dbraw/zinc/29/87/89/664298789.db2.gz TZDCVLGEVWHTBZ-INIZCTEOSA-N 1 0 388.339 2.559 20 0 GFADRO Cc1cc(Br)c(CC(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)s1 ZINC000912733337 664299947 /nfs/dbraw/zinc/29/99/47/664299947.db2.gz QEBFMOSLTWIKNL-ZDUSSCGKSA-N 1 0 389.359 2.931 20 0 GFADRO Cc1c(Br)cc(C(=O)N2CCCC[C@H]2[C@@H](C)C[NH+](C)C)c(=O)n1C ZINC000912805917 664303100 /nfs/dbraw/zinc/30/31/00/664303100.db2.gz BVQBNKJGOKNJLS-LRDDRELGSA-N 1 0 398.345 2.649 20 0 GFADRO C[C@@H](C[NH+](C)C)[C@@H]1CCCCN1C(=O)c1nccn2c(Br)cnc12 ZINC000912809694 664303346 /nfs/dbraw/zinc/30/33/46/664303346.db2.gz KDDNGRAOLPPRDK-STQMWFEESA-N 1 0 394.317 2.684 20 0 GFADRO CC(C)[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)N1CCC([NH+]2CCC2)CC1 ZINC000912873458 664307082 /nfs/dbraw/zinc/30/70/82/664307082.db2.gz NLUMBQDGRQVIOS-MRXNPFEDSA-N 1 0 383.945 2.853 20 0 GFADRO C[NH+]1C[C@@]2(C)CN(C(=O)c3cc(Br)cn4ccnc34)C[C@]2(C)C1 ZINC000913274493 664330666 /nfs/dbraw/zinc/33/06/66/664330666.db2.gz MZVWVCIFQWHORA-IRXDYDNUSA-N 1 0 377.286 2.511 20 0 GFADRO Cc1nc2ccc(Br)cn2c1C(=O)N1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000913278258 664330942 /nfs/dbraw/zinc/33/09/42/664330942.db2.gz CYTVVQMTKKGNEJ-ROUUACIJSA-N 1 0 391.313 2.819 20 0 GFADRO CC(=O)c1cc(Br)ccc1OCC(=O)N1CCC(C)([NH+](C)C)CC1 ZINC000913393387 664334734 /nfs/dbraw/zinc/33/47/34/664334734.db2.gz WYDAYOAWTZKDOM-UHFFFAOYSA-N 1 0 397.313 2.973 20 0 GFADRO C[NH+](C)C1(C)CCN(C(=O)c2cc(=O)c3cc(Br)ccc3[nH]2)CC1 ZINC000913397306 664334946 /nfs/dbraw/zinc/33/49/46/664334946.db2.gz CYYDMLWAEOSSEN-UHFFFAOYSA-N 1 0 392.297 2.847 20 0 GFADRO O=C(NC12CC[NH+](CC1)C2)c1ccc(I)cc1Cl ZINC000913629033 664346879 /nfs/dbraw/zinc/34/68/79/664346879.db2.gz VGZHBNASZNBGKA-UHFFFAOYSA-N 1 0 376.625 2.523 20 0 GFADRO C[NH+](C)CC1(O)CCN(C(=O)CCCc2ccc(Br)cc2)CC1 ZINC000913683328 664349931 /nfs/dbraw/zinc/34/99/31/664349931.db2.gz YIUDDNDVHXMXIH-UHFFFAOYSA-N 1 0 383.330 2.687 20 0 GFADRO C[C@@H](C(=O)N1CC[NH+](CCCCCO)CC1)c1cccc(Br)c1 ZINC000913694308 664350984 /nfs/dbraw/zinc/35/09/84/664350984.db2.gz JVWSUXOOTAAOGJ-OAHLLOKOSA-N 1 0 383.330 2.859 20 0 GFADRO CC[NH+](CC)[C@H](C)CNC(=O)NC1(c2ncc(Br)cn2)CCC1 ZINC000914068173 664373967 /nfs/dbraw/zinc/37/39/67/664373967.db2.gz JFGLYWCIYYYJMM-GFCCVEGCSA-N 1 0 384.322 2.648 20 0 GFADRO O=C(OCC[NH+]1CCCCC1)[C@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000914083928 664375611 /nfs/dbraw/zinc/37/56/11/664375611.db2.gz GLEZDHMBDKZWQZ-AWEZNQCLSA-N 1 0 395.297 2.831 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)N1CCC[C@H]1c1ncc(Br)cn1 ZINC000914150652 664379902 /nfs/dbraw/zinc/37/99/02/664379902.db2.gz QCCYCKZREWAVCK-KFWWJZLASA-N 1 0 394.317 2.712 20 0 GFADRO CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NC(=O)NCCc1ccc(Cl)s1)C2 ZINC000914231330 664388837 /nfs/dbraw/zinc/38/88/37/664388837.db2.gz GYRPFSQKJIUWOY-GZOSKZMVSA-N 1 0 385.961 2.723 20 0 GFADRO C[N@@H+]1CCC[C@@H]2CN(S(=O)(=O)Cc3ccsc3Br)CC[C@@H]21 ZINC000914259135 664391615 /nfs/dbraw/zinc/39/16/15/664391615.db2.gz LUONJRSTEGKJAZ-YPMHNXCESA-N 1 0 393.372 2.757 20 0 GFADRO COC(=O)c1ccc(Cl)c(S(=O)(=O)NCCC[N@@H+]2CCCC[C@H]2C)c1 ZINC000915354766 664428928 /nfs/dbraw/zinc/42/89/28/664428928.db2.gz CVZHFOYBWFQXRV-CYBMUJFWSA-N 1 0 388.917 2.669 20 0 GFADRO O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)c1cc(F)cc(Br)c1 ZINC000915622947 664435589 /nfs/dbraw/zinc/43/55/89/664435589.db2.gz UIEKPHHZFDSGOP-INIZCTEOSA-N 1 0 385.277 2.961 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(S(=O)(=O)c3ccc(Cl)cc3Br)C[C@@H]2C1 ZINC000916661696 664468346 /nfs/dbraw/zinc/46/83/46/664468346.db2.gz AJWDUFNMVMXATH-MNOVXSKESA-N 1 0 393.734 2.675 20 0 GFADRO CC(C)[NH2+]C1(CO)CCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)CC1 ZINC000917537108 664485763 /nfs/dbraw/zinc/48/57/63/664485763.db2.gz XNVZQWQVYFPJRO-UHFFFAOYSA-N 1 0 395.352 2.648 20 0 GFADRO COC(=O)c1ccc(S(=O)(=O)NC[C@H](C(C)C)[NH+]2CCC(C)CC2)s1 ZINC000917653068 664488003 /nfs/dbraw/zinc/48/80/03/664488003.db2.gz LLROJXZCVMDBGR-CQSZACIVSA-N 1 0 388.555 2.570 20 0 GFADRO O=S(=O)(C[C@@]12CC[N@H+](C1)CCC2)NCc1ccccc1CC(F)(F)F ZINC000918455643 664499189 /nfs/dbraw/zinc/49/91/89/664499189.db2.gz JXLKGWXHQGVKGB-INIZCTEOSA-N 1 0 376.444 2.697 20 0 GFADRO Cc1c(Br)cccc1CCNC(=O)NCC1([NH+](C)C)CCOCC1 ZINC000918666311 664502289 /nfs/dbraw/zinc/50/22/89/664502289.db2.gz OFFMSZZDDLAHLP-UHFFFAOYSA-N 1 0 398.345 2.710 20 0 GFADRO CC(C)[C@H](C[NH+](C)C)NC(=O)CCNC(=O)Nc1ccc(Br)cc1 ZINC000918694306 664502780 /nfs/dbraw/zinc/50/27/80/664502780.db2.gz XIYUDPSZQMEHIC-HNNXBMFYSA-N 1 0 399.333 2.663 20 0 GFADRO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)/C=C\c1ccc(Br)o1 ZINC000918701015 664502965 /nfs/dbraw/zinc/50/29/65/664502965.db2.gz RWDGOFYRNYUQQF-ALCCZGGFSA-N 1 0 384.318 2.540 20 0 GFADRO Nc1cc[nH+]c2c1CN(S(=O)(=O)c1ccc(C(F)(F)F)cc1F)CC2 ZINC000918900905 664506365 /nfs/dbraw/zinc/50/63/65/664506365.db2.gz YOGWKAHCHLFGPG-UHFFFAOYSA-N 1 0 375.347 2.569 20 0 GFADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)Nc1cccc(C2SCCS2)c1 ZINC000921128044 664537762 /nfs/dbraw/zinc/53/77/62/664537762.db2.gz JRGYJAYPUWQYAU-ZDUSSCGKSA-N 1 0 381.567 2.950 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)N2CCC[C@@H]2c2ncc(Br)cn2)C1 ZINC000921331151 664541900 /nfs/dbraw/zinc/54/19/00/664541900.db2.gz XSXOUDSOCYZRGG-RRFJBIMHSA-N 1 0 396.333 2.958 20 0 GFADRO C[C@H](NC(=O)NC1(c2ncc(Br)cn2)CCC1)C(C)(C)C[NH+](C)C ZINC000921388558 664545463 /nfs/dbraw/zinc/54/54/63/664545463.db2.gz LJDAUSXNWLEXME-LBPRGKRZSA-N 1 0 398.349 2.894 20 0 GFADRO COc1cc(S(=O)(=O)N[C@H](CC[NH+](C)C)c2cccnc2)ccc1Cl ZINC000921479380 664549999 /nfs/dbraw/zinc/54/99/99/664549999.db2.gz IKEYSFGAGDGPQJ-MRXNPFEDSA-N 1 0 383.901 2.715 20 0 GFADRO COc1ccc(Cl)cc1S(=O)(=O)N[C@H](CC[NH+](C)C)c1cccnc1 ZINC000921480888 664550169 /nfs/dbraw/zinc/55/01/69/664550169.db2.gz VKQQSXLBWFRWKO-OAHLLOKOSA-N 1 0 383.901 2.715 20 0 GFADRO O=C(NCC[NH2+]Cc1ccnn1C1CCC1)c1ccc(Br)cc1 ZINC000921579254 664555083 /nfs/dbraw/zinc/55/50/83/664555083.db2.gz YAJRGWIFFDZWOM-UHFFFAOYSA-N 1 0 377.286 2.890 20 0 GFADRO CC1([NH+]2CCC2)CCC(NS(=O)(=O)c2cccnc2C(F)(F)F)CC1 ZINC000921717492 664563746 /nfs/dbraw/zinc/56/37/46/664563746.db2.gz CVLYWYGZQDPIIY-UHFFFAOYSA-N 1 0 377.432 2.786 20 0 GFADRO Cc1cccc(C[NH2+][C@@H]2CCN(S(C)(=O)=O)C[C@@H]2C)c1Br ZINC000921801993 664569790 /nfs/dbraw/zinc/56/97/90/664569790.db2.gz YVTNGZCOCLPWIP-GXTWGEPZSA-N 1 0 375.332 2.517 20 0 GFADRO OCC1CC[NH+](Cc2ccccc2NCc2nc(Br)c[nH]2)CC1 ZINC000921824602 664570775 /nfs/dbraw/zinc/57/07/75/664570775.db2.gz IAMLRHUDTSWDSN-UHFFFAOYSA-N 1 0 379.302 2.989 20 0 GFADRO O[C@H](C[NH2+][C@@H]1CC[C@@H]2COCC[C@@H]2C1)COc1ccccc1Br ZINC000921856439 664573154 /nfs/dbraw/zinc/57/31/54/664573154.db2.gz KWXNOHCYEAMGJM-KLHDSHLOSA-N 1 0 384.314 2.984 20 0 GFADRO O[C@@H](C[NH2+]Cc1ccnn1C1CCC1)COc1ccccc1Br ZINC000921857439 664573237 /nfs/dbraw/zinc/57/32/37/664573237.db2.gz SULGYDLBEVSJGL-HNNXBMFYSA-N 1 0 380.286 2.900 20 0 GFADRO C[C@H](NC(=O)N1CCC[C@@H]1c1ncc(Br)cn1)C1=CC[N@H+](C)CC1 ZINC000921881415 664574795 /nfs/dbraw/zinc/57/47/95/664574795.db2.gz PYGRRUUINXKEBT-SWLSCSKDSA-N 1 0 394.317 2.736 20 0 GFADRO O=C(COC(=O)CSc1ccc(Cl)cc1)NC1CC[NH+](C2CC2)CC1 ZINC000921977953 664580206 /nfs/dbraw/zinc/58/02/06/664580206.db2.gz TVBARKQOKMGHGC-UHFFFAOYSA-N 1 0 382.913 2.718 20 0 GFADRO O=S(=O)(NCC[NH2+][C@@H]1CC[C@@H]2COCC[C@H]2C1)c1ccc(F)cc1Cl ZINC000922108850 664586024 /nfs/dbraw/zinc/58/60/24/664586024.db2.gz LXJDTQCJMPJDIN-GZBFAFLISA-N 1 0 390.908 2.552 20 0 GFADRO CC[N@@H+]1CC[C@H]1CNC(=O)c1c(Cl)ccc(I)c1F ZINC000922168916 664588600 /nfs/dbraw/zinc/58/86/00/664588600.db2.gz ORRDMZNGTPWCGE-QMMMGPOBSA-N 1 0 396.631 2.908 20 0 GFADRO CCn1c(CNCC[C@@H](C)[NH+](C)C)nc(Br)c1Br ZINC000922254376 664591754 /nfs/dbraw/zinc/59/17/54/664591754.db2.gz JHVKLQCRZCESRL-SECBINFHSA-N 1 0 382.144 2.858 20 0 GFADRO OC[C@]1([NH2+]Cc2cnn(CCF)c2)CCc2cc(Br)ccc2C1 ZINC000922283980 664593130 /nfs/dbraw/zinc/59/31/30/664593130.db2.gz KSQCKYKBJRBWRA-KRWDZBQOSA-N 1 0 382.277 2.625 20 0 GFADRO CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NCc3ncc(Br)s3)C2)[C@@H]1C(C)C ZINC000922392719 664599136 /nfs/dbraw/zinc/59/91/36/664599136.db2.gz GQGKDUIGZQZEMZ-AVRGHOLYSA-N 1 0 388.375 2.865 20 0 GFADRO Cc1nn(C)c2nc(Cl)c(C[NH2+]CC3CCC(S(C)(=O)=O)CC3)cc12 ZINC000922418736 664600768 /nfs/dbraw/zinc/60/07/68/664600768.db2.gz BBPGRSLKWZOKBS-UHFFFAOYSA-N 1 0 384.933 2.623 20 0 GFADRO C[C@H](NC(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12)[C@H]1OCCc2sccc21 ZINC000922597943 664608015 /nfs/dbraw/zinc/60/80/15/664608015.db2.gz UGAFHPLMMXMKNK-DPAVQSFQSA-N 1 0 381.567 2.629 20 0 GFADRO OC1(C[NH2+]Cc2ncc(Br)cc2Cl)CCC2(CC1)OCCO2 ZINC000922619449 664608733 /nfs/dbraw/zinc/60/87/33/664608733.db2.gz GBPDNEWUNARMET-UHFFFAOYSA-N 1 0 391.693 2.635 20 0 GFADRO CCO[C@H](CNCc1c(Br)cncc1Br)C[NH+](C)C ZINC000922754095 664613415 /nfs/dbraw/zinc/61/34/15/664613415.db2.gz NITRVKYBVRGUTF-SNVBAGLBSA-N 1 0 395.139 2.663 20 0 GFADRO Cn1c(Cl)nc(Cl)c1C[NH2+]CC1(n2cc(Br)cn2)CC1 ZINC000922802500 664614843 /nfs/dbraw/zinc/61/48/43/664614843.db2.gz MKRAGGFLHUGDBK-UHFFFAOYSA-N 1 0 379.089 2.965 20 0 GFADRO COc1cc(C[NH2+]C[C@@H]2CCC3(CCOCC3)O2)cc(Br)c1O ZINC000922809290 664615301 /nfs/dbraw/zinc/61/53/01/664615301.db2.gz CSZDRANYHJQVQN-ZDUSSCGKSA-N 1 0 386.286 2.981 20 0 GFADRO CS(=O)(=O)C[C@H](O)C[NH2+]Cc1ccccc1Oc1ccc(F)cc1Cl ZINC000922821368 664615549 /nfs/dbraw/zinc/61/55/49/664615549.db2.gz AAKYEBQUNGETON-CQSZACIVSA-N 1 0 387.860 2.767 20 0 GFADRO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)Nc1cc(Br)cc2c1NC(=O)CO2 ZINC000923017300 664621272 /nfs/dbraw/zinc/62/12/72/664621272.db2.gz BELMTQFUEXRQBK-NXEZZACHSA-N 1 0 382.258 2.591 20 0 GFADRO O[C@H]1C[C@H]([NH2+]Cc2cn(-c3ccc(Cl)c(Cl)c3)nn2)C12CCOCC2 ZINC000923022344 664621309 /nfs/dbraw/zinc/62/13/09/664621309.db2.gz VSACGQKMYIGRLU-HOTGVXAUSA-N 1 0 383.279 2.594 20 0 GFADRO O=C(Nc1cc(Br)cc2c1NC(=O)CO2)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000923024892 664621447 /nfs/dbraw/zinc/62/14/47/664621447.db2.gz IXMPBMWYPAQYFU-DGCLKSJQSA-N 1 0 394.269 2.735 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)NC2(c3ncc(Br)cn3)CCC2)C1 ZINC000923192075 664623986 /nfs/dbraw/zinc/62/39/86/664623986.db2.gz IEIQPQRVLCQJNA-CYBMUJFWSA-N 1 0 396.333 2.790 20 0 GFADRO C[C@@H]1CN(C[C@@H](O)COc2ccc(Cl)cc2Br)C[C@H](C)[NH2+]1 ZINC000923285054 664627418 /nfs/dbraw/zinc/62/74/18/664627418.db2.gz AARWEEUINODCMZ-NTZNESFSSA-N 1 0 377.710 2.524 20 0 GFADRO OCC[NH2+][C@H]1CCCN(Cc2ncc(-c3cccc(Br)c3)o2)C1 ZINC000923406084 664630025 /nfs/dbraw/zinc/63/00/25/664630025.db2.gz JXVMLBKMSXGPRN-HNNXBMFYSA-N 1 0 380.286 2.650 20 0 GFADRO COC(OC)[C@@H](C)NC(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000923450230 664630830 /nfs/dbraw/zinc/63/08/30/664630830.db2.gz SYKQBTFZXHDUFO-QMTHXVAHSA-N 1 0 378.300 2.903 20 0 GFADRO Cc1nc(CN(Cc2ccccc2)[C@@H]2C[NH2+]C[C@H]2O)sc1Br ZINC000923559017 664634057 /nfs/dbraw/zinc/63/40/57/664634057.db2.gz CDRFNJXXIPNITO-ZIAGYGMSSA-N 1 0 382.327 2.549 20 0 GFADRO O=S(=O)(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)[C@H]1CCC[NH2+]C1 ZINC000923587724 664634271 /nfs/dbraw/zinc/63/42/71/664634271.db2.gz DBMYLELKXIISSA-KKZNHRDASA-N 1 0 382.370 2.567 20 0 GFADRO Cc1sc(CNS(=O)(=O)[C@@H]2CCC[NH2+]C2)nc1-c1ccc(Cl)cc1 ZINC000923594192 664634367 /nfs/dbraw/zinc/63/43/67/664634367.db2.gz GOXUGHRYHKOMBX-CQSZACIVSA-N 1 0 385.942 2.943 20 0 GFADRO O=S(=O)(c1cnc(-c2ccccc2)s1)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000923643223 664635025 /nfs/dbraw/zinc/63/50/25/664635025.db2.gz CSFQGGFCDHQTSK-JKSUJKDBSA-N 1 0 377.535 2.963 20 0 GFADRO [NH3+]C[C@@H]1CC2(CO1)CCN(S(=O)(=O)c1c(Cl)cc(F)cc1Cl)CC2 ZINC000923689022 664635974 /nfs/dbraw/zinc/63/59/74/664635974.db2.gz XYPOAYXNPDRCNT-NSHDSACASA-N 1 0 397.299 2.651 20 0 GFADRO C[C@H]1CN(S(=O)(=O)c2cc(Cl)ccc2Br)CC[C@H]1C[NH3+] ZINC000923704368 664636621 /nfs/dbraw/zinc/63/66/21/664636621.db2.gz RZOSRMIZWMUMEV-UWVGGRQHSA-N 1 0 381.723 2.708 20 0 GFADRO C[NH+]1CCC(OCC(=O)OCc2nc3cc(Br)ccc3o2)CC1 ZINC000923787872 664638001 /nfs/dbraw/zinc/63/80/01/664638001.db2.gz XKMMUJFXYUMDDY-UHFFFAOYSA-N 1 0 383.242 2.744 20 0 GFADRO CCO[C@@H](CNC(=O)NCc1cc(C(F)(F)F)cc(Cl)n1)C[NH+](C)C ZINC000923977541 664643093 /nfs/dbraw/zinc/64/30/93/664643093.db2.gz AZXHRBJZWWPNAL-LBPRGKRZSA-N 1 0 382.814 2.520 20 0 GFADRO COc1nc(C)c(Br)cc1-c1noc([C@@H]2C[N@@H+]3CCC[C@H]3CO2)n1 ZINC000924046723 664645498 /nfs/dbraw/zinc/64/54/98/664645498.db2.gz NBZBKMICIQGLAL-GWCFXTLKSA-N 1 0 395.257 2.747 20 0 GFADRO C[NH+]1CCC(OCc2nc(-c3cn4ccc(Br)cc4n3)no2)CC1 ZINC000924074907 664646055 /nfs/dbraw/zinc/64/60/55/664646055.db2.gz SRHIMWUGCGRMSQ-UHFFFAOYSA-N 1 0 392.257 2.758 20 0 GFADRO CNC(=O)CN1CCC([NH2+]C(CCC(F)(F)F)CCC(F)(F)F)CC1 ZINC000924645683 664659207 /nfs/dbraw/zinc/65/92/07/664659207.db2.gz GOLXVWOSBUMZHW-UHFFFAOYSA-N 1 0 377.373 2.840 20 0 GFADRO C[C@H]([NH2+][C@@H](C)C1CCN(S(C)(=O)=O)CC1)c1cccc(OC(F)F)c1 ZINC000924674005 664659376 /nfs/dbraw/zinc/65/93/76/664659376.db2.gz KODZFOHDYAWEGB-STQMWFEESA-N 1 0 376.469 2.999 20 0 GFADRO COc1cc([C@H](C)[NH2+]CCCNC(=O)c2cccc(Br)c2)on1 ZINC000924889623 664663644 /nfs/dbraw/zinc/66/36/44/664663644.db2.gz DNOBPKPHGBEYQF-NSHDSACASA-N 1 0 382.258 2.916 20 0 GFADRO O=C(CC[NH2+][C@@H]1CCOC12CCOCC2)Nc1ccc(Br)cc1 ZINC000924889880 664663648 /nfs/dbraw/zinc/66/36/48/664663648.db2.gz NNQYMMZHBLYVMA-OAHLLOKOSA-N 1 0 383.286 2.705 20 0 GFADRO C[C@@H]([NH2+]CC1(c2ccc(Br)cc2)CCOCC1)c1cnnn1C ZINC000924901838 664663756 /nfs/dbraw/zinc/66/37/56/664663756.db2.gz KRRJSVPKMQMLBK-CYBMUJFWSA-N 1 0 379.302 2.977 20 0 GFADRO C[C@H](C(=O)Nc1ccc(C[NH+](C)C)c(C(F)(F)F)c1)[C@@H](C)S(C)(=O)=O ZINC000924892947 664663810 /nfs/dbraw/zinc/66/38/10/664663810.db2.gz LEPVMJHHCYTINR-WDEREUQCSA-N 1 0 380.432 2.775 20 0 GFADRO CCN(CC)S(=O)(=O)c1ccc(CC[NH2+]C2CC3(C2)CO[C@H](C)C3)s1 ZINC000924947538 664664329 /nfs/dbraw/zinc/66/43/29/664664329.db2.gz RJCHBNDUJFOLDU-KSTDHSDQSA-N 1 0 386.583 2.868 20 0 GFADRO CN1CC[N@H+](C)C[C@H]1CN[C@H](c1ccc(Br)cc1)c1cccnc1 ZINC000925029971 664665658 /nfs/dbraw/zinc/66/56/58/664665658.db2.gz GNQIFXLHDYBXBX-RTBURBONSA-N 1 0 389.341 2.769 20 0 GFADRO Brc1ccccc1N1CC[C@@H]([NH2+][C@@H]2CCOC23CCOCC3)C1 ZINC000925034340 664665796 /nfs/dbraw/zinc/66/57/96/664665796.db2.gz MTHHVKWXIYWNFK-RHSMWYFYSA-N 1 0 381.314 2.956 20 0 GFADRO O=S1(=O)CCC(O)(C[NH2+][C@H](Cc2ccccc2Cl)c2ccoc2)CC1 ZINC000925126753 664667091 /nfs/dbraw/zinc/66/70/91/664667091.db2.gz PTUJPTXVRGMDNA-QGZVFWFLSA-N 1 0 383.897 2.746 20 0 GFADRO CC(=O)Nc1ccc(Cl)c(NC(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@H]23)c1 ZINC000925146024 664667495 /nfs/dbraw/zinc/66/74/95/664667495.db2.gz CLVGEWGZXOBRBS-GDBMZVCRSA-N 1 0 382.917 3.000 20 0 GFADRO O=C(N[C@@H]1CCO[C@@H](c2cccs2)C1)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000925171793 664667830 /nfs/dbraw/zinc/66/78/30/664667830.db2.gz LZYAKZCQKIXKTB-LVQVYYBASA-N 1 0 381.567 2.847 20 0 GFADRO CCS[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)c1ccc(S(=O)(=O)CC(N)=O)cc1 ZINC000925228223 664669035 /nfs/dbraw/zinc/66/90/35/664669035.db2.gz XLTQEHBTJIRGTJ-XOKHGSTOSA-N 1 0 384.567 2.661 20 0 GFADRO CC1(C)CNC(=O)[C@H]1[NH2+]C1CCN(Cc2ccc(Br)cc2)CC1 ZINC000925278133 664669594 /nfs/dbraw/zinc/66/95/94/664669594.db2.gz VPVNJSROSWMPPG-MRXNPFEDSA-N 1 0 380.330 2.528 20 0 GFADRO C[N@@H+]1CCC[C@H](N2C(=O)N[C@H](c3ccc(Br)c(Cl)c3)C2=O)C1 ZINC000925290851 664669984 /nfs/dbraw/zinc/66/99/84/664669984.db2.gz FLDSGBKAOOSPOG-GXFFZTMASA-N 1 0 386.677 2.790 20 0 GFADRO CC[N@@H+]1CC[C@@H](N2C(=O)CN([C@H](C)c3cccc(Br)c3)C2=O)C1 ZINC000925315652 664670474 /nfs/dbraw/zinc/67/04/74/664670474.db2.gz CVZAGTSMZUFJKN-IUODEOHRSA-N 1 0 380.286 2.869 20 0 GFADRO C[C@@H](C[NH2+][C@H]1C(=O)NCC12CCOCC2)Sc1ccc(Br)cc1 ZINC000925391349 664671631 /nfs/dbraw/zinc/67/16/31/664671631.db2.gz VOOZXBHKBAIVTM-WFASDCNBSA-N 1 0 399.354 2.815 20 0 GFADRO C[C@H]([NH2+]C[C@H]1CCN(S(C)(=O)=O)C1)c1ncc(C(F)(F)F)cc1Cl ZINC000925623417 664673737 /nfs/dbraw/zinc/67/37/37/664673737.db2.gz QNLCCJSXCZYALN-VHSXEESVSA-N 1 0 385.839 2.686 20 0 GFADRO CS(=O)(=O)c1ccc(CN[C@H]2CC[NH2+]C23CCCC3)cc1C(F)(F)F ZINC000925661253 664673898 /nfs/dbraw/zinc/67/38/98/664673898.db2.gz VYOXORCKPFOOBN-HNNXBMFYSA-N 1 0 376.444 2.873 20 0 GFADRO O=C(NC[C@]12CCC[C@H]1[NH2+]CC2)Nc1cc2c(cc1Br)OCCO2 ZINC000925909167 664677275 /nfs/dbraw/zinc/67/72/75/664677275.db2.gz CNIRHOJCPPIQDF-NVXWUHKLSA-N 1 0 396.285 2.874 20 0 GFADRO Brc1cnc2c(c1)[C@@H]([NH2+]C[C@H]1COC3(CCOCC3)O1)CCC2 ZINC000925978374 664678668 /nfs/dbraw/zinc/67/86/68/664678668.db2.gz XLTPFWMRXWXOAU-BBRMVZONSA-N 1 0 383.286 2.733 20 0 GFADRO [NH3+][C@@]1(CO)CCCN(C(=O)Nc2ccc(Cl)cc2OCC(F)(F)F)C1 ZINC000926040437 664679825 /nfs/dbraw/zinc/67/98/25/664679825.db2.gz XDYANAOGAPNEJD-AWEZNQCLSA-N 1 0 381.782 2.599 20 0 GFADRO Cc1cc(Br)ncc1NC(=O)N1CC[C@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000926057588 664680290 /nfs/dbraw/zinc/68/02/90/664680290.db2.gz YWQVBQQBTGURPZ-IUCAKERBSA-N 1 0 381.196 2.896 20 0 GFADRO [NH3+][C@@]1(CO)CCCN(C(=O)Nc2ccc(C(F)(F)F)cc2Br)C1 ZINC000926077437 664681044 /nfs/dbraw/zinc/68/10/44/664681044.db2.gz WUSPIBVHBPRFGM-ZDUSSCGKSA-N 1 0 396.207 2.785 20 0 GFADRO C[NH2+]CCN(C(=O)Nc1ccc(OC)cc1I)C(C)C ZINC000926107038 664681958 /nfs/dbraw/zinc/68/19/58/664681958.db2.gz IVWFUAJMDYFJHU-UHFFFAOYSA-N 1 0 391.253 2.762 20 0 GFADRO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(C(=O)Nc1cc(Cl)c(Cl)cc1F)C2 ZINC000926112714 664682109 /nfs/dbraw/zinc/68/21/09/664682109.db2.gz CYQYESNYWKGKEE-DRTKUVKGSA-N 1 0 390.242 2.877 20 0 GFADRO CCSc1cccc(Br)c1NC(=O)N1CCC[C@]([NH3+])(CO)C1 ZINC000926126507 664682357 /nfs/dbraw/zinc/68/23/57/664682357.db2.gz CVCMUUDIXTXOON-OAHLLOKOSA-N 1 0 388.331 2.879 20 0 GFADRO CN(C)c1cc(NC(=O)N2CC[C@@]3(C2)CCCC[NH2+]3)ncc1Br ZINC000926137853 664682799 /nfs/dbraw/zinc/68/27/99/664682799.db2.gz YABYDKQPECKJDA-MRXNPFEDSA-N 1 0 382.306 2.660 20 0 GFADRO CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NC(=O)c1cc(Cl)c(N)c(Cl)c1)C2 ZINC000926138986 664682813 /nfs/dbraw/zinc/68/28/13/664682813.db2.gz XEFXPYWASDWYOI-GZOSKZMVSA-N 1 0 386.323 2.785 20 0 GFADRO Cc1cc(Br)cn2cc(CC[NH2+][C@H](C)C[C@H]3CCC(=O)N3)nc12 ZINC000926149482 664683049 /nfs/dbraw/zinc/68/30/49/664683049.db2.gz BOHDJLIGHBJJTC-TZMCWYRMSA-N 1 0 379.302 2.595 20 0 GFADRO CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)c1ccc(F)c(Br)c1)C2 ZINC000926169362 664683604 /nfs/dbraw/zinc/68/36/04/664683604.db2.gz DAXVXZXAIIORCS-CBZIJGRNSA-N 1 0 399.304 2.798 20 0 GFADRO [NH3+]CC[C@@H](NC(=O)N1CCC[C@@H]1c1cncc(Br)c1)C(F)(F)F ZINC000926170202 664683782 /nfs/dbraw/zinc/68/37/82/664683782.db2.gz OZIQSDNGAZYPIO-VXGBXAGGSA-N 1 0 395.223 2.970 20 0 GFADRO CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)c1cc(Br)cs1)C2 ZINC000926176201 664683965 /nfs/dbraw/zinc/68/39/65/664683965.db2.gz NWGUMDSBJCYPPE-NCZKRNLISA-N 1 0 387.343 2.720 20 0 GFADRO CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NC(=O)Cc1ccc(Br)cc1)C2 ZINC000926187277 664684482 /nfs/dbraw/zinc/68/44/82/664684482.db2.gz BENFPCYIDZQPMP-ZAWLATJESA-N 1 0 395.341 2.588 20 0 GFADRO CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)c1ccc(Br)cc1)C2 ZINC000926192849 664684647 /nfs/dbraw/zinc/68/46/47/664684647.db2.gz KODRKWXCAOXASI-CBZIJGRNSA-N 1 0 381.314 2.659 20 0 GFADRO COC(=O)c1cc(NC(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)ccc1SC ZINC000926198048 664684651 /nfs/dbraw/zinc/68/46/51/664684651.db2.gz GVXAKJNEMHUJTI-GHMZBOCLSA-N 1 0 377.388 2.548 20 0 GFADRO CCS(=O)(=O)c1ccc(C[NH2+][C@H](C)c2cccc(-n3cnnc3)c2)s1 ZINC000926324414 664687818 /nfs/dbraw/zinc/68/78/18/664687818.db2.gz FCUCRDYYBJYXIA-CYBMUJFWSA-N 1 0 376.507 2.973 20 0 GFADRO C[C@H]([NH2+]CCC1(CS(C)(=O)=O)CC1)c1nc(Br)ccc1F ZINC000926676267 664695067 /nfs/dbraw/zinc/69/50/67/664695067.db2.gz MFCUQDLDEHJTJW-JTQLQIEISA-N 1 0 379.295 2.849 20 0 GFADRO O=C(NCC[NH2+][C@H]1CCc2c1nccc2Cl)c1ccc(Br)cn1 ZINC000926683368 664695242 /nfs/dbraw/zinc/69/52/42/664695242.db2.gz NEWVKDJLEPBCKO-ZDUSSCGKSA-N 1 0 395.688 2.899 20 0 GFADRO C[C@@H]([NH2+]Cc1cc(F)ccc1OC(F)F)C1CCN(S(C)(=O)=O)CC1 ZINC000926727151 664695785 /nfs/dbraw/zinc/69/57/85/664695785.db2.gz IBGFJUASSXFXMC-LLVKDONJSA-N 1 0 380.432 2.577 20 0 GFADRO C[C@@H]([NH2+]C[C@@H]1CCC(=O)N(C2CC2)[C@H]1c1nccn1C)C1(Br)CC1 ZINC000926734658 664696043 /nfs/dbraw/zinc/69/60/43/664696043.db2.gz FWWFXXBLGAXWFD-DVOMOZLQSA-N 1 0 395.345 2.768 20 0 GFADRO O=C1NCC2(CCOCC2)[C@@H]1[NH2+]CCc1cc(Cl)cc(Br)c1 ZINC000926847377 664697836 /nfs/dbraw/zinc/69/78/36/664697836.db2.gz TTXHVWVZVYGFKG-CQSZACIVSA-N 1 0 387.705 2.530 20 0 GFADRO Cc1nnc([C@H]2OCC[C@H]2C[NH2+][C@@H](C)c2nc(Br)ccc2F)[nH]1 ZINC000926877161 664698239 /nfs/dbraw/zinc/69/82/39/664698239.db2.gz HMNNGIINENDONN-BXGCZWRVSA-N 1 0 384.253 2.838 20 0 GFADRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+]CC[C@H]2CC[C@H](C(F)(F)F)O2)cc1 ZINC000926907099 664698890 /nfs/dbraw/zinc/69/88/90/664698890.db2.gz BKJYAZDCRHTBNM-NJZAAPMLSA-N 1 0 380.432 2.745 20 0 GFADRO C[C@@H]([NH2+]C[C@@H]1CCCN1CC(F)(F)F)c1ccc(NS(C)(=O)=O)cc1 ZINC000926924612 664699160 /nfs/dbraw/zinc/69/91/60/664699160.db2.gz AMVBBLHTJWOODG-DOMZBBRYSA-N 1 0 379.448 2.735 20 0 GFADRO Brc1ccc([C@@H]([NH2+]C[C@@H]2C[C@@H]3COC[C@@H]3O2)c2cncnc2)cc1 ZINC000926948189 664699319 /nfs/dbraw/zinc/69/93/19/664699319.db2.gz MQEBUCRRWSRTKN-XFKAJCMBSA-N 1 0 390.281 2.722 20 0 GFADRO CC[N@H+](C)[C@@H](C(=O)N(C)Cc1ncc(Br)cn1)c1ccccc1 ZINC000926981540 664701124 /nfs/dbraw/zinc/70/11/24/664701124.db2.gz INGPTFYXFBUKKZ-MRXNPFEDSA-N 1 0 377.286 2.891 20 0 GFADRO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CC1CC2(C1)OCCO2 ZINC000927005555 664702055 /nfs/dbraw/zinc/70/20/55/664702055.db2.gz OVRCTPBZWPEEMT-GFCCVEGCSA-N 1 0 383.286 2.909 20 0 GFADRO CS(=O)(=O)C[C@H](O)C[NH2+][C@@H](c1ccc(Br)cc1Cl)C1CC1 ZINC000927027316 664702423 /nfs/dbraw/zinc/70/24/23/664702423.db2.gz TZJKWTHTTQVSQA-BXUZGUMPSA-N 1 0 396.734 2.549 20 0 GFADRO CC[C@H]([NH2+]C[C@H](O)CS(C)(=O)=O)c1ccc(Br)cc1Cl ZINC000927028714 664702626 /nfs/dbraw/zinc/70/26/26/664702626.db2.gz YFPPIKWLQBTKML-GWCFXTLKSA-N 1 0 384.723 2.549 20 0 GFADRO Cn1nnc2c1C[C@H]([NH2+][C@H](c1cccc(Br)c1)[C@H]1CCOC1)CC2 ZINC000927143693 664705092 /nfs/dbraw/zinc/70/50/92/664705092.db2.gz PDJIARSIMFWGRU-JCKWVBRZSA-N 1 0 391.313 2.802 20 0 GFADRO C[C@@H]1CN(C(=O)C(=O)Nc2ccccc2SC(F)(F)F)C[C@H]1CC[NH3+] ZINC000927830467 664716441 /nfs/dbraw/zinc/71/64/41/664716441.db2.gz VUMIKFZXFOAGAG-GHMZBOCLSA-N 1 0 375.416 2.680 20 0 GFADRO C[NH2+]CCN(C(=O)C(=O)Nc1cc(Br)c(F)cc1Cl)C(C)C ZINC000927863549 664716915 /nfs/dbraw/zinc/71/69/15/664716915.db2.gz OWLUEEPNWAWNQY-UHFFFAOYSA-N 1 0 394.672 2.637 20 0 GFADRO Cc1ccc(-c2csc(NC(=O)C(=O)N3CC[C@@H](C[NH3+])[C@H](C)C3)n2)s1 ZINC000927889150 664717377 /nfs/dbraw/zinc/71/73/77/664717377.db2.gz BQKCSSUMUAGTJT-PWSUYJOCSA-N 1 0 378.523 2.562 20 0 GFADRO O=C(Cc1cscc1Br)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000928084331 664722282 /nfs/dbraw/zinc/72/22/82/664722282.db2.gz WSRHFVKHUALSLB-OLZOCXBDSA-N 1 0 375.357 2.749 20 0 GFADRO COCCOc1ccc(C(=O)N[C@H]2CCC[N@@H+]3CCSC[C@H]23)c(Cl)c1 ZINC000928089806 664722488 /nfs/dbraw/zinc/72/24/88/664722488.db2.gz KXDJLYUODJJZKA-DLBZAZTESA-N 1 0 384.929 2.675 20 0 GFADRO COc1ccc(Br)c(C(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@H]23)c1 ZINC000928102251 664723223 /nfs/dbraw/zinc/72/32/23/664723223.db2.gz LRDICVOSEYYXQC-HUUCEWRRSA-N 1 0 385.327 2.767 20 0 GFADRO C[C@@H]1[C@H](NC(=O)CSc2nnc(-c3cccs3)n2C2CC2)CC[N@@H+]1C ZINC000928436765 664732622 /nfs/dbraw/zinc/73/26/22/664732622.db2.gz ALLNHYFNCPSZSK-DGCLKSJQSA-N 1 0 377.539 2.642 20 0 GFADRO COc1cc(C(=O)N[C@H](CC[NH+](C)C)c2cccnc2)cnc1Br ZINC000928832105 664740643 /nfs/dbraw/zinc/74/06/43/664740643.db2.gz PTHKQOOJCSVVBC-CQSZACIVSA-N 1 0 393.285 2.671 20 0 GFADRO CCc1n[nH]c(C(=O)N[C@H](CC[NH+](C)C)c2cccnc2)c1Br ZINC000928833151 664740654 /nfs/dbraw/zinc/74/06/54/664740654.db2.gz OVLADHIZLXWWOA-CYBMUJFWSA-N 1 0 380.290 2.552 20 0 GFADRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)Nc3ccccc3Br)CC2)C1 ZINC000929100953 664746449 /nfs/dbraw/zinc/74/64/49/664746449.db2.gz VWXGULREWBRPSK-CQSZACIVSA-N 1 0 381.318 2.693 20 0 GFADRO Cc1ccc(NC(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)c(Br)c1 ZINC000929204846 664748383 /nfs/dbraw/zinc/74/83/83/664748383.db2.gz XUHHUNGTHKDNPJ-HZPDHXFCSA-N 1 0 382.302 2.820 20 0 GFADRO COC(=O)c1cc(Br)c(CN2CCC([NH+](C)C)CC2)cc1OC ZINC000929260826 664749060 /nfs/dbraw/zinc/74/90/60/664749060.db2.gz FHGVMAZGTOLYBM-UHFFFAOYSA-N 1 0 385.302 2.770 20 0 GFADRO COc1cccc([C@@H](CNC(=O)c2cc(=O)[nH]cc2Br)[NH+](C)C)c1 ZINC000929467032 664752950 /nfs/dbraw/zinc/75/29/50/664752950.db2.gz JRSLYGIVNNSTRL-OAHLLOKOSA-N 1 0 394.269 2.591 20 0 GFADRO Cc1[nH]nc(Br)c1C(=O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000929584562 664754466 /nfs/dbraw/zinc/75/44/66/664754466.db2.gz LPHMHPYUXKWBFY-UHFFFAOYSA-N 1 0 377.286 2.829 20 0 GFADRO CC(C)c1ncc(Br)c(C(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)n1 ZINC000929632092 664755308 /nfs/dbraw/zinc/75/53/08/664755308.db2.gz UYHBDXAFDUNPMD-STQMWFEESA-N 1 0 399.333 2.592 20 0 GFADRO CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@H+](C[C@](O)(CC)C(F)(F)F)C1 ZINC000929721355 664756598 /nfs/dbraw/zinc/75/65/98/664756598.db2.gz RORNIPCJFPVJQC-DGCLKSJQSA-N 1 0 378.357 2.813 20 0 GFADRO CCOC(=O)CNC(=O)C1CC[NH+](Cc2cccc(C)c2Br)CC1 ZINC000930059031 664761853 /nfs/dbraw/zinc/76/18/53/664761853.db2.gz WAYNROJLPIWGPG-UHFFFAOYSA-N 1 0 397.313 2.649 20 0 GFADRO C[C@H]([NH2+]C[C@@H]1C[C@H]2COC[C@@H]2O1)c1cc2c(cc1Br)OCCO2 ZINC000930208317 664764576 /nfs/dbraw/zinc/76/45/76/664764576.db2.gz MVVRMKXGWXLNCU-UWCDFFNFSA-N 1 0 384.270 2.675 20 0 GFADRO C[N@@H+]1C[C@H]2CCN(C(=O)Nc3ccc(F)cc3I)[C@H]2C1 ZINC000930271512 664765779 /nfs/dbraw/zinc/76/57/79/664765779.db2.gz VYNKLLSZEZJQNS-RNCFNFMXSA-N 1 0 389.212 2.598 20 0 GFADRO CC1(c2ccc(Br)cc2)CC[NH+](C[C@H](O)C[C@@]2(O)CCOC2)CC1 ZINC000930320593 664766979 /nfs/dbraw/zinc/76/69/79/664766979.db2.gz ZQVPXEPWFOVJBD-MJGOQNOKSA-N 1 0 398.341 2.705 20 0 GFADRO CC[N@H+](C)Cc1cccc(CNC(=O)C2(n3cc(Br)cn3)CC2)c1 ZINC000930497669 664771818 /nfs/dbraw/zinc/77/18/18/664771818.db2.gz OYBVMAAUJKGKGN-UHFFFAOYSA-N 1 0 391.313 2.903 20 0 GFADRO CCO[C@H](CNC(=O)Nc1cc(F)c(Br)cc1F)C[NH+](C)C ZINC000930531788 664772363 /nfs/dbraw/zinc/77/23/63/664772363.db2.gz BLYSOTSFBXLERR-SECBINFHSA-N 1 0 380.233 2.816 20 0 GFADRO C[N@@H+]1C[C@H]2CCN(C(=O)Nc3cnn(-c4ccccc4Br)c3)[C@H]2C1 ZINC000930548871 664772706 /nfs/dbraw/zinc/77/27/06/664772706.db2.gz MWUAGDLGPKUHQY-WBMJQRKESA-N 1 0 390.285 2.803 20 0 GFADRO Cn1cc(Br)c(=O)c(NC(=O)NC2CCC(C)([NH+]3CCC3)CC2)c1 ZINC000930815394 664778948 /nfs/dbraw/zinc/77/89/48/664778948.db2.gz GPEGBKYOPHWMEQ-UHFFFAOYSA-N 1 0 397.317 2.676 20 0 GFADRO Cc1ccc(I)cc1NC(=O)N1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC000930897307 664780455 /nfs/dbraw/zinc/78/04/55/664780455.db2.gz PWIUDEKOSSOBIF-FZMZJTMJSA-N 1 0 385.249 2.767 20 0 GFADRO Cc1[nH]nc(Br)c1C(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1 ZINC000930950650 664781848 /nfs/dbraw/zinc/78/18/48/664781848.db2.gz RJYPEBQQSUSIDB-UHFFFAOYSA-N 1 0 394.273 2.623 20 0 GFADRO CC[N@@H+]1CCC[C@@H](CNC(=O)C[C@@H]2C(=O)Nc3c2cccc3Br)C1 ZINC000931127887 664786721 /nfs/dbraw/zinc/78/67/21/664786721.db2.gz VOLJMOWTZDBHTO-JSGCOSHPSA-N 1 0 394.313 2.723 20 0 GFADRO O=C(C/C=C\c1ccc(Br)cc1)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000931188730 664787846 /nfs/dbraw/zinc/78/78/46/664787846.db2.gz IZTBQLVSQIDCES-RRAAJAHGSA-N 1 0 379.298 2.832 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)CC[NH2+]C(C)(C)C ZINC000931289325 664790623 /nfs/dbraw/zinc/79/06/23/664790623.db2.gz CMECONDSORXVNI-UHFFFAOYSA-N 1 0 384.318 2.981 20 0 GFADRO O[C@@H](CN1CCC([N@@H+]2CCCOCC2)CC1)c1cccc(Br)c1 ZINC000931291030 664790766 /nfs/dbraw/zinc/79/07/66/664790766.db2.gz LNXBBQVNQPGUBG-SFHVURJKSA-N 1 0 383.330 2.669 20 0 GFADRO C[C@H](NC(=O)CN1C[C@]2(C)C[N@H+](C)C[C@]2(C)C1)c1ccc(Br)cc1 ZINC000931302647 664790925 /nfs/dbraw/zinc/79/09/25/664790925.db2.gz AXZNQICBHYLPDI-ZOCIIQOWSA-N 1 0 394.357 2.900 20 0 GFADRO C[C@H](NC(=O)CN1CCC(O)(C[NH+](C)C)CC1)c1ccc(Cl)c(Cl)c1 ZINC000931489194 664796275 /nfs/dbraw/zinc/79/62/75/664796275.db2.gz ZBXXOEZGQYZLMT-ZDUSSCGKSA-N 1 0 388.339 2.559 20 0 GFADRO OCCCCC[NH+]1CCN(C[C@@H](O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000931499951 664796407 /nfs/dbraw/zinc/79/64/07/664796407.db2.gz IGRZSLFXZVSZPS-OAHLLOKOSA-N 1 0 391.339 2.513 20 0 GFADRO OCCCCC[NH+]1CCN(C[C@H](O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000931499950 664796477 /nfs/dbraw/zinc/79/64/77/664796477.db2.gz IGRZSLFXZVSZPS-HNNXBMFYSA-N 1 0 391.339 2.513 20 0 GFADRO Cc1csc([C@H](NC(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@H]23)C(F)(F)F)n1 ZINC000931581136 664799728 /nfs/dbraw/zinc/79/97/28/664799728.db2.gz RYANOHQMXYMTPP-UTUOFQBUSA-N 1 0 394.488 2.934 20 0 GFADRO C[C@@]1(Cc2cccc(Br)c2)CCC[N@@H+]1C[C@@H](O)C1(O)CCOCC1 ZINC000931747174 664804267 /nfs/dbraw/zinc/80/42/67/664804267.db2.gz NKFYRXCOYLMQBN-MSOLQXFVSA-N 1 0 398.341 2.749 20 0 GFADRO CCO[C@@H](CNC(=O)Nc1cc(C(C)=O)ccc1Br)C[NH+](C)C ZINC000932220896 664814769 /nfs/dbraw/zinc/81/47/69/664814769.db2.gz ODTPTAOLHKXLMP-ZDUSSCGKSA-N 1 0 386.290 2.740 20 0 GFADRO C[N@@H+]1CCC[C@@H](CNC(=O)c2cc3ccc(Br)cc3c(=O)o2)C1 ZINC000932309281 664819155 /nfs/dbraw/zinc/81/91/55/664819155.db2.gz CPAXDWXXKUDJBV-NSHDSACASA-N 1 0 379.254 2.627 20 0 GFADRO COC(=O)c1cnc([C@@H]2CC[N@H+](CCOCC(F)(F)C(F)(F)F)C2)s1 ZINC000932666707 664831190 /nfs/dbraw/zinc/83/11/90/664831190.db2.gz IQAIXFDFXPQYDK-SECBINFHSA-N 1 0 388.358 2.933 20 0 GFADRO Cc1c(Br)cc(F)cc1C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000932715087 664832740 /nfs/dbraw/zinc/83/27/40/664832740.db2.gz BFBOMNYKJUQUQP-LBPRGKRZSA-N 1 0 386.309 2.510 20 0 GFADRO O=C(CC[NH+]1CCC2(CCNC(=O)O2)CC1)Nc1cccc(Br)c1 ZINC000932760261 664835068 /nfs/dbraw/zinc/83/50/68/664835068.db2.gz BZGYYMHNAOZBMO-UHFFFAOYSA-N 1 0 396.285 2.742 20 0 GFADRO O=C(CC[NH+]1CCC([C@H]2COC(=O)N2)CC1)Nc1cccc(Br)c1 ZINC000932774063 664836808 /nfs/dbraw/zinc/83/68/08/664836808.db2.gz HDNUFXGMZJAVQT-OAHLLOKOSA-N 1 0 396.285 2.598 20 0 GFADRO O=C1N[C@@H](C2CC[NH+](C[C@@H](O)COc3ccc(Cl)cc3Cl)CC2)CO1 ZINC000932783729 664838094 /nfs/dbraw/zinc/83/80/94/664838094.db2.gz BKFFYWPFSXNQSJ-UKRRQHHQSA-N 1 0 389.279 2.554 20 0 GFADRO O=C1CC[C@@H](C[N@H+]2CCC[C@@](O)(c3ccc(Br)cc3)C2)CCN1 ZINC000932815762 664839949 /nfs/dbraw/zinc/83/99/49/664839949.db2.gz QJSNLFPEOZLZRE-KDOFPFPSSA-N 1 0 381.314 2.649 20 0 GFADRO C[C@]1(Cc2ccc(Cl)s2)CCC[N@@H+]1CC1(O)CCS(=O)(=O)CC1 ZINC000932914184 664842826 /nfs/dbraw/zinc/84/28/26/664842826.db2.gz GFTOSOGZFNTDQP-OAHLLOKOSA-N 1 0 377.959 2.738 20 0 GFADRO O[C@H](COc1c(Cl)cccc1Cl)C[NH+]1CCC2(CC1)C[C@H](O)CCO2 ZINC000933066337 664849016 /nfs/dbraw/zinc/84/90/16/664849016.db2.gz NHTQOXCYZALHBP-KGLIPLIRSA-N 1 0 390.307 2.739 20 0 GFADRO COc1cc(Br)cc(C(=O)N2CC[NH+](CC3CCOCC3)CC2)c1 ZINC000933176713 664851360 /nfs/dbraw/zinc/85/13/60/664851360.db2.gz ZMDGPOJGFFLDEG-UHFFFAOYSA-N 1 0 397.313 2.642 20 0 GFADRO OC[C@@H]([NH2+]C[C@@H](O)COCc1cccs1)c1ccccc1C(F)(F)F ZINC000933245856 664853453 /nfs/dbraw/zinc/85/34/53/664853453.db2.gz FMEHDZMAAMSBGN-MLGOLLRUSA-N 1 0 375.412 2.968 20 0 GFADRO CN(Cc1ccccc1Br)C(=O)C[NH2+][C@]12C[C@H]1COC21CCC1 ZINC000933393918 664862022 /nfs/dbraw/zinc/86/20/22/664862022.db2.gz LZJUATBCBVHUHG-KBXCAEBGSA-N 1 0 379.298 2.709 20 0 GFADRO C[C@@](CO)(Cc1ccc(Br)cc1)[NH2+]CCC(=O)N1CCCCC1 ZINC000933436533 664863774 /nfs/dbraw/zinc/86/37/74/664863774.db2.gz FHEUIIZFVLNACL-SFHVURJKSA-N 1 0 383.330 2.735 20 0 GFADRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1cc2cc(Br)cnc2n1C ZINC000933435118 664863860 /nfs/dbraw/zinc/86/38/60/664863860.db2.gz NMOSZTYNYABVCA-RISCZKNCSA-N 1 0 379.302 2.748 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc3c(Br)cnn3c2)[C@H](C)C1 ZINC000933437436 664863963 /nfs/dbraw/zinc/86/39/63/664863963.db2.gz DGALXIRHEIIIJT-IUODEOHRSA-N 1 0 379.302 2.899 20 0 GFADRO C[C@@H]1C[C@@H](N(C)C(=O)C[C@@H]2C(=O)Nc3ccc(Br)cc32)CC[N@@H+]1C ZINC000933447173 664864990 /nfs/dbraw/zinc/86/49/90/664864990.db2.gz VBLYNPVDKSLRJV-ZLDLUXBVSA-N 1 0 394.313 2.816 20 0 GFADRO C[N@H+](CC1(Br)CC1)C1(CNC(=O)OC(C)(C)C)CCOCC1 ZINC000933501753 664866914 /nfs/dbraw/zinc/86/69/14/664866914.db2.gz ZFSKPKOWEYYMED-UHFFFAOYSA-N 1 0 377.323 2.920 20 0 GFADRO NC(=O)[C@]12CCC[C@H]1C[N@H+](Cc1nnc(-c3ccc(Br)s3)o1)C2 ZINC000933762195 664877340 /nfs/dbraw/zinc/87/73/40/664877340.db2.gz VCKAEBQQWHSFME-VFZGTOFNSA-N 1 0 397.298 2.648 20 0 GFADRO NC(=O)c1ccc(NC(=O)CC[N@@H+]2CCCSC[C@H]2C2CC2)cc1Cl ZINC000933916483 664880246 /nfs/dbraw/zinc/88/02/46/664880246.db2.gz ZTIWHSJXHHHOFP-INIZCTEOSA-N 1 0 381.929 2.985 20 0 GFADRO Cc1ccc(C[NH+](C)C)cc1NC(=O)c1cc(=O)n(C)cc1Br ZINC000934169962 664891358 /nfs/dbraw/zinc/89/13/58/664891358.db2.gz XJTXPTGIQNQIDP-UHFFFAOYSA-N 1 0 378.270 2.770 20 0 GFADRO C[NH+](C)C1CCN(CCNC(=O)C/C=C/c2ccc(Br)cc2)CC1 ZINC000934164103 664891387 /nfs/dbraw/zinc/89/13/87/664891387.db2.gz CIBUIVVKGLDAAX-ONEGZZNKSA-N 1 0 394.357 2.995 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C[C@@H]2C(=O)Nc3c2cccc3Br)C1 ZINC000934195041 664891981 /nfs/dbraw/zinc/89/19/81/664891981.db2.gz VKPMCCYAFIAKCP-SCRDCRAPSA-N 1 0 394.313 2.864 20 0 GFADRO Cc1c(Br)cncc1NC(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000934251338 664894118 /nfs/dbraw/zinc/89/41/18/664894118.db2.gz BZCOWHGUYCAANM-UHFFFAOYSA-N 1 0 397.317 2.729 20 0 GFADRO Cc1c(Br)cncc1NC(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000934270675 664896553 /nfs/dbraw/zinc/89/65/53/664896553.db2.gz UOSLTAVTLCLZOR-UHFFFAOYSA-N 1 0 397.317 2.871 20 0 GFADRO Cc1cc(C(=O)NCCCC[NH+]2C[C@H](C)O[C@@H](C)C2)cnc1Br ZINC000934307790 664898063 /nfs/dbraw/zinc/89/80/63/664898063.db2.gz DLVFAJMUNDHTDC-KBPBESRZSA-N 1 0 384.318 2.772 20 0 GFADRO O=C(NCC1CC[NH+](C2CC2)CC1)Nc1c(Br)cnn1C1CC1 ZINC000934374820 664903765 /nfs/dbraw/zinc/90/37/65/664903765.db2.gz OHUSBGFKPCBZGF-UHFFFAOYSA-N 1 0 382.306 2.976 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)C[C@@H]2C(=O)Nc3ccc(Br)cc32)C[N@@H+]1C1CC1 ZINC000934396294 664905332 /nfs/dbraw/zinc/90/53/32/664905332.db2.gz PBRNBNOJKGMMFO-HCKVZZMMSA-N 1 0 392.297 2.616 20 0 GFADRO C[C@](CO)([NH2+]C[C@@H](O)C[C@H](O)c1ccccc1)c1cccc(Br)c1 ZINC000934493196 664908373 /nfs/dbraw/zinc/90/83/73/664908373.db2.gz JLUDUEKBQCHAIV-GBESFXJTSA-N 1 0 394.309 2.731 20 0 GFADRO C[C@@](CO)([NH2+]CC(=O)NCc1ccccc1)c1cccc(Br)c1 ZINC000934496987 664909062 /nfs/dbraw/zinc/90/90/62/664909062.db2.gz GCNSHKISZMURAD-SFHVURJKSA-N 1 0 377.282 2.563 20 0 GFADRO CN(C)[S@@](C)(=O)=NCC1CC[NH+](C[C@@H](O)c2ccc(F)cc2Cl)CC1 ZINC000934751472 664918453 /nfs/dbraw/zinc/91/84/53/664918453.db2.gz JPOIGLXTCRTNCR-NSYGIPOTSA-N 1 0 391.940 2.799 20 0 GFADRO C[N@@H+]1CC[C@@H](NC(=O)c2cc(=O)[nH]cc2Br)[C@H]1c1ccccc1 ZINC000935118903 664940820 /nfs/dbraw/zinc/94/08/20/664940820.db2.gz OZCDHTMBZDDOSA-GDBMZVCRSA-N 1 0 376.254 2.725 20 0 GFADRO CO[C@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)COC1CC[NH+](C)CC1 ZINC000935233142 664947673 /nfs/dbraw/zinc/94/76/73/664947673.db2.gz MSBQLDPQSUEKAT-ACJLOTCBSA-N 1 0 399.329 2.752 20 0 GFADRO C[NH+]1CCC(OCC(=O)N[C@H]2CSc3ccc(Br)cc32)CC1 ZINC000935701675 664982803 /nfs/dbraw/zinc/98/28/03/664982803.db2.gz FULQGAYYMLTUGS-AWEZNQCLSA-N 1 0 385.327 2.823 20 0 GFADRO Cc1[nH]nc(Br)c1C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000935732855 664984864 /nfs/dbraw/zinc/98/48/64/664984864.db2.gz IDLAHLBXCKPAEI-AWEZNQCLSA-N 1 0 377.286 2.733 20 0 GFADRO C[C@](O)(C(=O)NC1CC([NH+]2CCCCC2)C1)c1ccc(F)c(Br)c1 ZINC000935761041 664987446 /nfs/dbraw/zinc/98/74/46/664987446.db2.gz WNJMDEFMXMZPCI-WTNGLUPJSA-N 1 0 399.304 2.929 20 0 GFADRO CC1([NH2+]Cc2csc(Cl)n2)CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1 ZINC000940222991 665008103 /nfs/dbraw/zinc/00/81/03/665008103.db2.gz IJUJELHVTZRUFO-SEBNEYGDSA-N 1 0 381.929 2.691 20 0 GFADRO CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C)[C@H](NC(=O)c3cscc3Cl)C2)CC[N@@H+]1C ZINC000949535735 665010077 /nfs/dbraw/zinc/01/00/77/665010077.db2.gz HXOLVYLVCFGYHG-NOXHYTERSA-N 1 0 383.945 2.709 20 0 GFADRO C[C@@H]1[C@H](C(=O)N[C@@H]2CC[C@H](CNC(=O)c3cc(Cl)cs3)C2)CC[N@@H+]1C ZINC000981334614 665017926 /nfs/dbraw/zinc/01/79/26/665017926.db2.gz AXQJXJBLSOQCOV-AYRXBEOTSA-N 1 0 383.945 2.756 20 0 GFADRO C[C@@H]1[C@H](C(=O)N2C[C@@H](CNC(=O)c3cscc3Cl)[C@H](C)C2)CC[N@@H+]1C ZINC000994151564 665022659 /nfs/dbraw/zinc/02/26/59/665022659.db2.gz OQGKUNRMAAUJQV-AAVRWANBSA-N 1 0 383.945 2.566 20 0 GFADRO C[N@@H+]1CCCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1csc(Cl)c1)C2 ZINC001002610081 665055266 /nfs/dbraw/zinc/05/52/66/665055266.db2.gz YJKVDSZFILKCSE-KBXIAJHMSA-N 1 0 381.929 2.748 20 0 GFADRO C[N@@H+]1CCCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cscc1Cl)C2 ZINC001003449529 665060976 /nfs/dbraw/zinc/06/09/76/665060976.db2.gz UCAFQLKSZHGGGN-FWYOQMDTSA-N 1 0 381.929 2.748 20 0 GFADRO C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2sccc2Cl)C1 ZINC001004363382 665064099 /nfs/dbraw/zinc/06/40/99/665064099.db2.gz WDXAZPJKSQBDGU-MXYBEHONSA-N 1 0 381.929 2.605 20 0 GFADRO C[NH+](C)[C@H](C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(Cl)s1)C2)C1CC1 ZINC001006404731 665070370 /nfs/dbraw/zinc/07/03/70/665070370.db2.gz PDVKLHMMKXPFCV-FOCJUVANSA-N 1 0 381.929 2.603 20 0 GFADRO O=C(N[C@H]1C[C@H]([NH2+]Cc2ccc(Br)s2)C1)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001020405892 665072989 /nfs/dbraw/zinc/07/29/89/665072989.db2.gz DSJUIGXSLVREOM-VNHMRORRSA-N 1 0 397.338 2.671 20 0 GFADRO C[N@@H+](Cc1cnc(Cl)s1)C[C@H]1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC001029785674 665075050 /nfs/dbraw/zinc/07/50/50/665075050.db2.gz BHPYUKYUKNQPKT-BAGFCZJQSA-N 1 0 381.929 2.500 20 0 GFADRO O=C([C@@H]1C[C@@H]2C=C[C@H]1CC2)N1CCO[C@H](C[NH2+]Cc2cnc(Cl)s2)C1 ZINC001051624946 665077928 /nfs/dbraw/zinc/07/79/28/665077928.db2.gz WIEOUZRUDCKLRT-HLPPOEQASA-N 1 0 381.929 2.716 20 0 GFADRO CCO[C@@H](CC[NH+](C)C)CNC(=O)Cc1ccc(Br)c(F)c1 ZINC000120508429 677396710 /nfs/dbraw/zinc/39/67/10/677396710.db2.gz RHAOYFUIZMOPAO-ZDUSSCGKSA-N 1 0 375.282 2.604 20 0 GFADRO C[C@@H](CNC(=O)/C=C/c1ccc(I)o1)C[NH+]1CCCC1 ZINC000120702577 677397475 /nfs/dbraw/zinc/39/74/75/677397475.db2.gz ZBMZGKSLBTWHNV-PZBABLGHSA-N 1 0 388.249 2.746 20 0 GFADRO CC(C)[C@H]1CCC[N@@H+]1CN1C(=O)C(=O)N(c2ccc(Br)cc2)C1=O ZINC000139918243 677401533 /nfs/dbraw/zinc/40/15/33/677401533.db2.gz QFOCLXYUTOIACT-CQSZACIVSA-N 1 0 394.269 2.822 20 0 GFADRO Cn1ncc(C(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1Br ZINC000379146316 677405504 /nfs/dbraw/zinc/40/55/04/677405504.db2.gz CXFYLESGIPKGJQ-HNNXBMFYSA-N 1 0 391.313 2.825 20 0 GFADRO Cc1nc(Cl)ccc1S(=O)(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H]1C ZINC000385195011 677407038 /nfs/dbraw/zinc/40/70/38/677407038.db2.gz WOTUVBRYJOSCOT-GOEBONIOSA-N 1 0 379.913 2.985 20 0 GFADRO C[C@@H]1C[C@H](C[NH2+]C[C@@H](O)COc2cc(F)cc(Br)c2)CCO1 ZINC000579582346 677673431 /nfs/dbraw/zinc/67/34/31/677673431.db2.gz WWUYVAQVESELAD-LALPHHSUSA-N 1 0 376.266 2.733 20 0 GFADRO C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)c1ccc(S(=O)(=O)c2ccccc2)s1 ZINC000579581614 677673456 /nfs/dbraw/zinc/67/34/56/677673456.db2.gz KYSNZARRTJHWBJ-XNJGSVPQSA-N 1 0 378.519 2.697 20 0 GFADRO C[C@H](CC(=O)NC[C@]1(O)C[NH+]2CCC1CC2)c1ccc(Br)cc1 ZINC000580214808 677673808 /nfs/dbraw/zinc/67/38/08/677673808.db2.gz GOVVXSZLOAHPDG-ACJLOTCBSA-N 1 0 381.314 2.516 20 0 GFADRO Cc1cc(Br)c2c(c1)CN(C(=O)c1ccn(CC[NH+](C)C)n1)CC2 ZINC000580215358 677673854 /nfs/dbraw/zinc/67/38/54/677673854.db2.gz VSWHGTKKIZPGHF-UHFFFAOYSA-N 1 0 391.313 2.714 20 0 GFADRO C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@H](CO)C1CCOCC1 ZINC000580237412 677673886 /nfs/dbraw/zinc/67/38/86/677673886.db2.gz PHHTZJLLQADEHD-BLLLJJGKSA-N 1 0 385.302 2.543 20 0 GFADRO CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3CN(Cc4cnc(Cl)s4)C[C@H]32)CC[N@@H+]1C ZINC001075813419 677675946 /nfs/dbraw/zinc/67/59/46/677675946.db2.gz DTHXNBUMHBOMHE-ARLBYUKCSA-N 1 0 382.961 2.560 20 0 GFADRO [NH3+]CC1(F)CCN(c2nc(Cl)nc3c2CN(Cc2ccccc2)C3)CC1 ZINC001164391222 718812545 /nfs/dbraw/zinc/81/25/45/718812545.db2.gz GEOFOVIYBVSHOV-UHFFFAOYSA-N 1 0 375.879 2.913 20 0 GFADRO Fc1ccccc1-c1cc(C(F)(F)N2CCN3CC[NH2+]C[C@@H]3C2)c(Cl)nn1 ZINC001164399692 718844157 /nfs/dbraw/zinc/84/41/57/718844157.db2.gz DQGXLRXUQHMBSJ-GFCCVEGCSA-N 1 0 397.832 2.575 20 0 GFADRO OC[C@@]12C[NH2+]C[C@@H]1CN(C(F)(F)Oc1ccccc1-c1cccc(Cl)n1)C2 ZINC001164407459 718854099 /nfs/dbraw/zinc/85/40/99/718854099.db2.gz PICBRYMTRZEFDA-ACJLOTCBSA-N 1 0 395.837 2.845 20 0 GFADRO FC(F)(c1cc(Cl)nc(Cl)c1)N1CCCO[C@]2(C[NH2+]CCOC2)C1 ZINC001164419985 718913112 /nfs/dbraw/zinc/91/31/12/718913112.db2.gz FFTJEQVCLZOWKW-CQSZACIVSA-N 1 0 382.238 2.519 20 0 GFADRO CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@@H]2N1C(F)(F)c1nc2ccccc2nc1Cl ZINC001164618757 719016151 /nfs/dbraw/zinc/01/61/51/719016151.db2.gz STPPCHOQLSRIFR-SWHYSGLUSA-N 1 0 396.825 2.558 20 0 GFADRO CCOC(=O)C1CC[NH+](C2CCN(c3ncc(C)c(NC4CC4)n3)CC2)CC1 ZINC001164619848 719020622 /nfs/dbraw/zinc/02/06/22/719020622.db2.gz XCXLHFLGLMISNK-UHFFFAOYSA-N 1 0 387.528 2.603 20 0 GFADRO CCOC(=O)Cc1cnc(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)nc1 ZINC001164623576 719082482 /nfs/dbraw/zinc/08/24/82/719082482.db2.gz JUKCDHNVKVWVQJ-UXHICEINSA-N 1 0 380.492 2.683 20 0 GFADRO O=c1ccccn1-c1nccc(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC001164628607 719100770 /nfs/dbraw/zinc/10/07/70/719100770.db2.gz NUCXIJRCLRRRAT-PMACEKPBSA-N 1 0 387.487 2.728 20 0 GFADRO CON(C)C(=O)c1ccnc(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1 ZINC001164630411 719103833 /nfs/dbraw/zinc/10/38/33/719103833.db2.gz WDTQBMVXAUPXPD-VQTJNVASSA-N 1 0 380.492 2.816 20 0 GFADRO COC(OC)c1ccc(NC(=O)C(C)(C)C)c(N2C[C@H](C)[N@H+](C)C[C@H]2C)n1 ZINC001164632291 719223018 /nfs/dbraw/zinc/22/30/18/719223018.db2.gz AWUDRQKYOSIEGF-UONOGXRCSA-N 1 0 378.517 2.886 20 0 GFADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3cccnn3)CC2)c2ccccc21 ZINC001164679939 719654959 /nfs/dbraw/zinc/65/49/59/719654959.db2.gz AOXDXVXVXFOUAU-SFHVURJKSA-N 1 0 393.535 2.570 20 0 GFADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1nc(C)nc3sc(C)c(C)c31)CC2 ZINC001164685721 719718229 /nfs/dbraw/zinc/71/82/29/719718229.db2.gz NGZMKJZHZBRHJQ-UHFFFAOYSA-N 1 0 387.553 2.797 20 0 GFADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1nc(Cl)nc3cccc(C)c31)CC2 ZINC001164687271 719731160 /nfs/dbraw/zinc/73/11/60/719731160.db2.gz VMYKCXFDJICGID-UHFFFAOYSA-N 1 0 387.915 2.772 20 0 GFADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1ccc(-c3ccc(C)cc3)nn1)CC2 ZINC001164689560 719737689 /nfs/dbraw/zinc/73/76/89/719737689.db2.gz HVIJQNLLQWUWBP-UHFFFAOYSA-N 1 0 379.508 2.633 20 0 GFADRO COC(=O)c1ccnc(N2CCC3(CCC[N@@H+]3Cc3csc(C)n3)CC2)n1 ZINC001164693889 719805965 /nfs/dbraw/zinc/80/59/65/719805965.db2.gz VPGPVYMGUKOMNZ-UHFFFAOYSA-N 1 0 387.509 2.663 20 0 GFADRO Cn1cc([C@H]2COC3(C2)CCN(c2ccc(C[NH+]4CCCC4)cn2)CC3)cn1 ZINC001164695868 719826364 /nfs/dbraw/zinc/82/63/64/719826364.db2.gz GGHKWAPZWPGFDX-LJQANCHMSA-N 1 0 381.524 2.954 20 0 GFADRO CCOC(=O)c1ccc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COC)nc1C ZINC001164815353 720069184 /nfs/dbraw/zinc/06/91/84/720069184.db2.gz YOIPPTIYLPUOJX-AVRDEDQJSA-N 1 0 387.524 2.751 20 0 GFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(Cl)nc3c1SCC3)C2 ZINC001164815359 720101397 /nfs/dbraw/zinc/10/13/97/720101397.db2.gz YPCXSKUHDIPGRA-KUHUBIRLSA-N 1 0 394.972 2.963 20 0 GFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc3ccccc3c(OC)n1)C2 ZINC001164815525 720129292 /nfs/dbraw/zinc/12/92/92/720129292.db2.gz WGKHBIYQAZQXMD-HTAPYJJXSA-N 1 0 382.508 2.823 20 0 GFADRO CCOCc1cnc(Cl)nc1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@H]2COC ZINC001164817740 720153587 /nfs/dbraw/zinc/15/35/87/720153587.db2.gz QDMRBFKJNVZLQF-PXNSSMCTSA-N 1 0 394.947 2.851 20 0 GFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ccc(-c3ccncc3)nn1)C2 ZINC001164815044 720180664 /nfs/dbraw/zinc/18/06/64/720180664.db2.gz HEVCPMPWWHUPCK-UGKGYDQZSA-N 1 0 379.508 2.723 20 0 GFADRO COc1nc(N2CCCn3c(=O)cc(C[N@H+](C)C(C)C)nc3C2)ccc1Cl ZINC001164813865 720231063 /nfs/dbraw/zinc/23/10/63/720231063.db2.gz QOQGUDFZYLFXJF-UHFFFAOYSA-N 1 0 391.903 2.551 20 0 GFADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2ncc(F)cc2Cl)CC1 ZINC001164826033 720311071 /nfs/dbraw/zinc/31/10/71/720311071.db2.gz VADSFVWALHLIJB-IRXDYDNUSA-N 1 0 380.895 2.786 20 0 GFADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2ccc3ncccc3n2)CC1 ZINC001164819222 720313965 /nfs/dbraw/zinc/31/39/65/720313965.db2.gz CYDBENWBVGYGJV-WOJBJXKFSA-N 1 0 379.508 2.541 20 0 GFADRO CCCc1cc(N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc(C)n1 ZINC001164833022 720328277 /nfs/dbraw/zinc/32/82/77/720328277.db2.gz VVSYZGPZYWHEBS-UXHICEINSA-N 1 0 385.556 2.649 20 0 GFADRO Fc1cccc(-c2ncnc(N3CC[C@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)n2)c1 ZINC001164730147 720452791 /nfs/dbraw/zinc/45/27/91/720452791.db2.gz IAYRZFDLWYQPKF-OALUTQOASA-N 1 0 376.439 2.926 20 0 GFADRO CCOC(=O)c1c(C)cc(Cl)nc1N1Cc2nccn2C[C@@H](C[NH+](C)C)C1 ZINC001164732768 720511559 /nfs/dbraw/zinc/51/15/59/720511559.db2.gz WYZADGQMBVKWIB-CQSZACIVSA-N 1 0 391.903 2.615 20 0 GFADRO CC(C)[N@H+]1[C@@H]2CCN(c3ncnc4ncccc43)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164836038 720516988 /nfs/dbraw/zinc/51/69/88/720516988.db2.gz LVXOIHCAIIOWGB-ZIFCJYIRSA-N 1 0 377.496 2.599 20 0 GFADRO COc1cc2ccc(N3Cc4nccn4C[C@H](C[NH+](C)C)C3)nc2cc1OC ZINC001164727422 720518052 /nfs/dbraw/zinc/51/80/52/720518052.db2.gz FYSGYJGNQLRCKA-HNNXBMFYSA-N 1 0 381.480 2.647 20 0 GFADRO COc1cccc(-c2ccnc(N3Cc4nccn4C[C@@H](C[NH+](C)C)C3)n2)c1 ZINC001164725962 720519864 /nfs/dbraw/zinc/51/98/64/720519864.db2.gz AEYWQKDRVCFGII-MRXNPFEDSA-N 1 0 378.480 2.547 20 0 GFADRO Clc1nc2c(c(N3CCc4ncc(C[NH+]5CCCC5)n4CC3)n1)SCC2 ZINC001164730673 720558413 /nfs/dbraw/zinc/55/84/13/720558413.db2.gz YIDJXTBSSJWATM-UHFFFAOYSA-N 1 0 390.944 2.633 20 0 GFADRO CC(C)(C)OC(=O)c1ccc(N2CCc3ncc(C[NH+]4CCCC4)n3CC2)nc1 ZINC001164727231 720564374 /nfs/dbraw/zinc/56/43/74/720564374.db2.gz CKPANNJSVKIKPE-UHFFFAOYSA-N 1 0 397.523 2.892 20 0 GFADRO CC(C)c1cc2c(ncnc2N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)s1 ZINC001164742407 720607743 /nfs/dbraw/zinc/60/77/43/720607743.db2.gz NCGDMSZYQQHBLV-LSDHHAIUSA-N 1 0 396.520 2.947 20 0 GFADRO CC(C)Oc1nccnc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164844123 720627647 /nfs/dbraw/zinc/62/76/47/720627647.db2.gz YUTLPAQGJAQNNU-IPMKNSEASA-N 1 0 384.528 2.838 20 0 GFADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ncc4c(n3)CCCC4)CC[C@@H]21 ZINC001164843532 720632087 /nfs/dbraw/zinc/63/20/87/720632087.db2.gz XUWYCEZRZOQDAC-DYXWJJEUSA-N 1 0 380.540 2.930 20 0 GFADRO COc1ccc2nc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)cc(C)c2c1 ZINC001164737557 720698201 /nfs/dbraw/zinc/69/82/01/720698201.db2.gz GCRILHPTSMHLPV-WMZOPIPTSA-N 1 0 391.475 2.684 20 0 GFADRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ncc(F)cc1C(N)=O)CC2 ZINC001164841768 720706157 /nfs/dbraw/zinc/70/61/57/720706157.db2.gz WTRQSRZIOVHKMK-SFHVURJKSA-N 1 0 398.482 2.580 20 0 GFADRO C[NH+](C)Cc1ccnc(N2CC[C@@H]3O[C@H](COCc4ccccn4)CC[C@@H]32)c1 ZINC001164843815 720779042 /nfs/dbraw/zinc/77/90/42/720779042.db2.gz AUZJPNJNOWMTQC-ACRUOGEOSA-N 1 0 382.508 2.881 20 0 GFADRO Cc1c(Cl)nc(C(C)C)nc1N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164748941 720800964 /nfs/dbraw/zinc/80/09/64/720800964.db2.gz SARJPQJJASJIGE-HUUCEWRRSA-N 1 0 388.903 2.694 20 0 GFADRO c1ncn(C[C@@H]2C[C@H]3CN(c4cnc5ccccc5n4)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164751290 720813431 /nfs/dbraw/zinc/81/34/31/720813431.db2.gz YCCRNHWVVKNIEO-BBTUJRGHSA-N 1 0 389.507 2.601 20 0 GFADRO c1cc2ccnc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c2o1 ZINC001164738748 720814887 /nfs/dbraw/zinc/81/48/87/720814887.db2.gz GEKZUFBNQASAOA-GUDVDZBRSA-N 1 0 378.480 2.799 20 0 GFADRO Fc1ccc(Cl)nc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164740262 720818133 /nfs/dbraw/zinc/81/81/33/720818133.db2.gz JXWHFDAVFRELPE-YQQAZPJKSA-N 1 0 390.894 2.845 20 0 GFADRO COCC[N@@H+]1CCO[C@@H]2CN(c3ncnc4sc(C(C)C)cc43)CC[C@H]2C1 ZINC001164848866 720832235 /nfs/dbraw/zinc/83/22/35/720832235.db2.gz NNZQOFKFJFWMDI-DOTOQJQBSA-N 1 0 390.553 2.988 20 0 GFADRO COCC[N@@H+]1CCO[C@@H]2CN(C(F)(F)c3cc(Cl)ncc3F)CC[C@@H]2C1 ZINC001164853011 720853843 /nfs/dbraw/zinc/85/38/43/720853843.db2.gz GAUXFEJCPUMIFW-IUODEOHRSA-N 1 0 393.837 2.593 20 0 GFADRO COCC[N@@H+]1CCO[C@H]2CN(C(F)(F)c3nc(Cl)ccc3C)CC[C@H]2C1 ZINC001164854807 720863459 /nfs/dbraw/zinc/86/34/59/720863459.db2.gz KPHHCDKSYWDYJH-GJZGRUSLSA-N 1 0 389.874 2.762 20 0 GFADRO COc1cnc(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@H]2C)nc1NC(C)C ZINC001164859186 720917323 /nfs/dbraw/zinc/91/73/23/720917323.db2.gz PDSQHOIPTHGXFD-OAHLLOKOSA-N 1 0 387.532 2.923 20 0 GFADRO Cc1ccc(C[NH+]2CCC3(CCN(c4ncnc5c4nnn5C)CC3)CC2)cc1 ZINC001164760553 721045984 /nfs/dbraw/zinc/04/59/84/721045984.db2.gz WAMBEWKYXRZYDA-UHFFFAOYSA-N 1 0 391.523 2.949 20 0 GFADRO Clc1ccc2c(ncnc2N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164868770 721059594 /nfs/dbraw/zinc/05/95/94/721059594.db2.gz QHVYASYNQAZCCY-HZPDHXFCSA-N 1 0 396.882 2.553 20 0 GFADRO Cc1nc2ccc(F)cc2c(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164867537 721067156 /nfs/dbraw/zinc/06/71/56/721067156.db2.gz JODVOBYOJHTXMY-MOPGFXCFSA-N 1 0 393.466 2.952 20 0 GFADRO CSc1nc(Cl)cc(N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)n1 ZINC001164770206 721074675 /nfs/dbraw/zinc/07/46/75/721074675.db2.gz PDJJHLLEOYIYEF-UONOGXRCSA-N 1 0 378.933 2.544 20 0 GFADRO Cc1cc(Cl)nc(C(F)(F)N2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)n1 ZINC001164761629 721078689 /nfs/dbraw/zinc/07/86/89/721078689.db2.gz CFRPAOPLSWXARB-LSDHHAIUSA-N 1 0 396.873 2.675 20 0 GFADRO Cc1cccc2ncc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)nc12 ZINC001164866013 721079208 /nfs/dbraw/zinc/07/92/08/721079208.db2.gz RELIXVZEDLKHQQ-RTBURBONSA-N 1 0 375.476 2.813 20 0 GFADRO Cc1cc(Cl)nc(C(F)(F)N2C[C@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)n1 ZINC001164761628 721079341 /nfs/dbraw/zinc/07/93/41/721079341.db2.gz CFRPAOPLSWXARB-HUUCEWRRSA-N 1 0 396.873 2.675 20 0 GFADRO CCCN(CCC)c1cncc(N2C[C@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)n1 ZINC001164772397 721171316 /nfs/dbraw/zinc/17/13/16/721171316.db2.gz UMWQWWBRFOHYTA-WOJBJXKFSA-N 1 0 397.571 2.795 20 0 GFADRO Cc1nc(-c2ccncc2)cc(N2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)n1 ZINC001164765786 721215788 /nfs/dbraw/zinc/21/57/88/721215788.db2.gz IGGJHJSGHQWELP-VQTJNVASSA-N 1 0 389.507 2.539 20 0 GFADRO Cc1cc2ccccc2nc1N1CCC2(CC1)COCC[N@@H+](CC(=O)N(C)C)C2 ZINC001164869412 721266898 /nfs/dbraw/zinc/26/68/98/721266898.db2.gz NTRZOTVLIKAELG-UHFFFAOYSA-N 1 0 396.535 2.550 20 0 GFADRO Fc1ccccc1Cn1cnc2c1ncnc2N1CC2(C1)CC[N@H+](CC1CC1)C2 ZINC001164772057 721291308 /nfs/dbraw/zinc/29/13/08/721291308.db2.gz DHLBCZSSSTVVOV-UHFFFAOYSA-N 1 0 392.482 2.936 20 0 GFADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3ncnc4cc[nH]c43)C2)C1 ZINC001164778416 721332916 /nfs/dbraw/zinc/33/29/16/721332916.db2.gz VXIQCQPCKTUINF-OAQYLSRUSA-N 1 0 396.495 2.682 20 0 GFADRO Cc1ccnc(N2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)c1Cl ZINC001164885845 721404670 /nfs/dbraw/zinc/40/46/70/721404670.db2.gz HQKJHMZJCNYRHN-YLJYHZDGSA-N 1 0 378.948 2.809 20 0 GFADRO Cc1nc(N2CC[C@@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)nc2ccccc12 ZINC001164883707 721405496 /nfs/dbraw/zinc/40/54/96/721405496.db2.gz BWXFZZCGCMPRKM-WMZHIEFXSA-N 1 0 395.551 2.704 20 0 GFADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4cc(Cl)ncc4F)C3)O2)CC1 ZINC001164884619 721408144 /nfs/dbraw/zinc/40/81/44/721408144.db2.gz FEWGKWOVLMCHKR-HNAYVOBHSA-N 1 0 382.911 2.640 20 0 GFADRO COc1cnc(N2CC[C@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)c(Cl)c1 ZINC001164891094 721422575 /nfs/dbraw/zinc/42/25/75/721422575.db2.gz VFWHJNXFNNJSBN-JXFKEZNVSA-N 1 0 394.947 2.509 20 0 GFADRO COC(=O)c1ccnc(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)n1 ZINC001164793413 721492810 /nfs/dbraw/zinc/49/28/10/721492810.db2.gz RXCHFLRYDOZQTG-UHFFFAOYSA-N 1 0 381.480 2.539 20 0 GFADRO COC(=O)c1cncnc1N1CCC2(CC([N@H+](C)Cc3ccncc3)C2)CC1 ZINC001164792254 721496050 /nfs/dbraw/zinc/49/60/50/721496050.db2.gz LUGQHWXXUQXDFT-UHFFFAOYSA-N 1 0 381.480 2.539 20 0 GFADRO Fc1cccc(O[C@@H]2C[C@H]3CN(c4ccc(N5CCCCC5)nn4)CC[N@@H+]3C2)c1 ZINC001164899742 721509223 /nfs/dbraw/zinc/50/92/23/721509223.db2.gz MBVDSVVMJJUWOM-AZUAARDMSA-N 1 0 397.498 2.948 20 0 GFADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ccc3cccnc3n2)[C@@H]2CCCO[C@H]12 ZINC001164803645 721549749 /nfs/dbraw/zinc/54/97/49/721549749.db2.gz ILHADTURZPONLB-SBHAEUEKSA-N 1 0 375.476 2.893 20 0 GFADRO CC(C)COc1nccnc1N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164906077 721560908 /nfs/dbraw/zinc/56/09/08/721560908.db2.gz ISLSMMUPIXTNRY-IEBWSBKVSA-N 1 0 386.471 2.992 20 0 GFADRO CCOc1cc(Cl)nc(N2CCCC23CC[NH+](CC(=O)N(C)C)CC3)c1 ZINC001165010638 721736760 /nfs/dbraw/zinc/73/67/60/721736760.db2.gz IDYALCXVDFVLPZ-UHFFFAOYSA-N 1 0 380.920 2.657 20 0 GFADRO Cc1cc(N2CCCC23CC[NH+](CC(=O)N(C)C)CC3)nc(-c2ccco2)n1 ZINC001165009645 721747407 /nfs/dbraw/zinc/74/74/07/721747407.db2.gz HJIFVOWZFZRDDQ-UHFFFAOYSA-N 1 0 383.496 2.568 20 0 GFADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nccc4c3NC(=O)CO4)C[C@H]21 ZINC001165024915 721813584 /nfs/dbraw/zinc/81/35/84/721813584.db2.gz LGSISWKMCGFVRW-CGTJXYLNSA-N 1 0 393.491 2.544 20 0 GFADRO COCCOc1ccc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)nn1 ZINC001165027868 721825076 /nfs/dbraw/zinc/82/50/76/721825076.db2.gz UORZHMHFISZRPD-DFQSSKMNSA-N 1 0 397.523 2.634 20 0 GFADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2cc3c(cn2)NC(=O)C3)CC1 ZINC001165019375 721839077 /nfs/dbraw/zinc/83/90/77/721839077.db2.gz FDXLPCXDNHCDER-UHFFFAOYSA-N 1 0 396.491 2.694 20 0 GFADRO C[N@H+](Cc1ccc(N2C[C@@H]3COC[C@@]3(COCc3ccccn3)C2)nc1)C1CC1 ZINC001164926817 721840134 /nfs/dbraw/zinc/84/01/34/721840134.db2.gz SFZDHFBNJIRYOO-AUSIDOKSSA-N 1 0 394.519 2.740 20 0 GFADRO CN(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCN2c1nc(-c2cccnc2)nc2ccccc21 ZINC001164932935 721877851 /nfs/dbraw/zinc/87/78/51/721877851.db2.gz KINSTESBYVFXOO-NHCUHLMSSA-N 1 0 388.519 2.906 20 0 GFADRO O=C(OCc1ccccc1)c1ccc(N2CC[NH+](C[C@H]3CCCO3)CC2)nc1 ZINC001165042667 721920085 /nfs/dbraw/zinc/92/00/85/721920085.db2.gz FPNJDLZUIZOCJG-HXUWFJFHSA-N 1 0 381.476 2.740 20 0 GFADRO CNC(=O)c1cccnc1N1CCC2(CC1)C[N@H+](Cc1ccc(C)cc1)CCO2 ZINC001164940246 721928921 /nfs/dbraw/zinc/92/89/21/721928921.db2.gz UFVPJDIRODIYSQ-UHFFFAOYSA-N 1 0 394.519 2.621 20 0 GFADRO CN(CC1CC[NH+](C)CC1)c1ncc(C(=O)Nc2nncs2)cc1Cl ZINC001165042057 721937412 /nfs/dbraw/zinc/93/74/12/721937412.db2.gz DDSFKDDKNPAMNA-UHFFFAOYSA-N 1 0 380.905 2.617 20 0 GFADRO CCOC(=O)c1nnc(SC)nc1N1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001165049740 721968020 /nfs/dbraw/zinc/96/80/20/721968020.db2.gz WIKJZBIYNCCDIK-CQSZACIVSA-N 1 0 379.530 2.615 20 0 GFADRO CC[NH+](CC)C1CCN(c2ncccc2S(=O)(=O)N2CCCCC2)CC1 ZINC001116464950 722006894 /nfs/dbraw/zinc/00/68/94/722006894.db2.gz FXFYAGRRWZFLFF-UHFFFAOYSA-N 1 0 380.558 2.567 20 0 GFADRO CSc1cncc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)n1 ZINC001164959998 722061079 /nfs/dbraw/zinc/06/10/79/722061079.db2.gz CCGHYYZGGSWUIQ-UHFFFAOYSA-N 1 0 385.537 2.713 20 0 GFADRO Fc1ccc(Cl)nc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164986073 722106756 /nfs/dbraw/zinc/10/67/56/722106756.db2.gz XWVZAZCJCSRGBB-NVXWUHKLSA-N 1 0 376.863 2.996 20 0 GFADRO Cc1nc(Cl)c(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)nc1C ZINC001164981981 722119654 /nfs/dbraw/zinc/11/96/54/722119654.db2.gz VLGYLOHFMVKJQE-QZTJIDSGSA-N 1 0 387.915 2.869 20 0 GFADRO Cc1cc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)nc2[nH]ccc21 ZINC001164980297 722129562 /nfs/dbraw/zinc/12/95/62/722129562.db2.gz MPFLBDNRDHGOLS-ICSRJNTNSA-N 1 0 377.492 2.994 20 0 GFADRO Fc1cnc2ccc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)nc2c1 ZINC001164977989 722135913 /nfs/dbraw/zinc/13/59/13/722135913.db2.gz JBYFIFZFXWOKQM-DYESRHJHSA-N 1 0 393.466 2.891 20 0 GFADRO CC(C)Cc1cc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)ncn1 ZINC001164984184 722144896 /nfs/dbraw/zinc/14/48/96/722144896.db2.gz WFDOGCYLANXPHD-FPOVZHCZSA-N 1 0 381.524 2.797 20 0 GFADRO CC(C)COc1nccnc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164978870 722150473 /nfs/dbraw/zinc/15/04/73/722150473.db2.gz KDZUQQDSLPQACN-PMACEKPBSA-N 1 0 397.523 2.634 20 0 GFADRO Cc1nc(CN2CCO[C@@H]3CCN(c4cccc(N(C)C)[nH+]4)CC[C@H]32)cs1 ZINC001164988953 722176195 /nfs/dbraw/zinc/17/61/95/722176195.db2.gz SKGUKDKFOURNGN-QZTJIDSGSA-N 1 0 387.553 2.782 20 0 GFADRO C[C@H]1C(=O)Nc2ncnc(N3CCC[C@]4(CC[N@@H+]4Cc4cccc(F)c4)C3)c21 ZINC001164995450 722201498 /nfs/dbraw/zinc/20/14/98/722201498.db2.gz NSRDWMSIPORXGN-SZNDQCEHSA-N 1 0 381.455 2.916 20 0 GFADRO C[NH+](C)CCOCc1ncn2c1CN(c1ccc(-c3ccsc3)nn1)CCC2 ZINC001165003819 722257604 /nfs/dbraw/zinc/25/76/04/722257604.db2.gz IMEXTCYAQHMBMY-UHFFFAOYSA-N 1 0 398.536 2.890 20 0 GFADRO CC[NH+](CC)[C@@H](CNC(=O)Nc1ccc(N2CCOCC2)nc1)CC(C)C ZINC000048082437 132429590 /nfs/dbraw/zinc/42/95/90/132429590.db2.gz YRTMEHZINFENLI-GOSISDBHSA-N 1 0 377.533 2.796 20 0 GFADRO COCCN(C)CC[NH2+]Cc1cc(Cl)ccc1I ZINC000405337084 563538436 /nfs/dbraw/zinc/53/84/36/563538436.db2.gz KTNCQPFLHFLOLT-UHFFFAOYSA-N 1 0 382.673 2.612 20 0 GFADRO C[C@H]1CN(C)CCN1C(=O)c1ccc(Br)cc1Br ZINC000218794839 553054202 /nfs/dbraw/zinc/05/42/02/553054202.db2.gz VSJCPCITNROZQU-VIFPVBQESA-N 1 0 376.092 2.988 20 0 GFADRO Cc1sc(Br)cc1S(=O)(=O)N1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000405285330 563539036 /nfs/dbraw/zinc/53/90/36/563539036.db2.gz VPDOYEAOECHZQG-GXSJLCMTSA-N 1 0 381.361 2.957 20 0 GFADRO CN(CC(F)(F)F)C(=O)C[NH2+][C@@H]1CCOc2c(Br)cccc21 ZINC000362020844 563702729 /nfs/dbraw/zinc/70/27/29/563702729.db2.gz IMSYXNKCSVLVRU-LLVKDONJSA-N 1 0 381.192 2.883 20 0 GFADRO CC(C)[C@H](CNC(=O)CSCc1ccc(Cl)cc1)N1CC[NH+](C)CC1 ZINC000042578419 551139672 /nfs/dbraw/zinc/13/96/72/551139672.db2.gz DVZZWZNCSDZXOW-SFHVURJKSA-N 1 0 383.989 2.961 20 0 GFADRO C[C@@H]1C[N@@H+](CCCNC(=O)NCc2ccc(Br)s2)C[C@H](C)O1 ZINC000048458118 551156225 /nfs/dbraw/zinc/15/62/25/551156225.db2.gz FCGCHWONJGKCLO-TXEJJXNPSA-N 1 0 390.347 2.809 20 0 GFADRO CC(C)[C@H](CNS(=O)(=O)c1ccc(Cl)c(Cl)c1)N1CC[NH+](C)CC1 ZINC000049736934 551159562 /nfs/dbraw/zinc/15/95/62/551159562.db2.gz OCPFYMWANOPKOP-INIZCTEOSA-N 1 0 394.368 2.544 20 0 GFADRO CC[NH+](CC)[C@@H](CNC(=O)CSc1nncs1)c1cccc(OC)c1 ZINC000051209912 551162705 /nfs/dbraw/zinc/16/27/05/551162705.db2.gz WAYSCOZZEDCWEL-HNNXBMFYSA-N 1 0 380.539 2.838 20 0 GFADRO NC(=O)c1csc(C(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)c1 ZINC000053139037 551165823 /nfs/dbraw/zinc/16/58/23/551165823.db2.gz VFDBKNMOKCBNLR-UHFFFAOYSA-N 1 0 377.897 2.895 20 0 GFADRO C[NH+]1CCN(c2ccc(NC(=O)c3cccc(Br)c3)nc2)CC1 ZINC000053744261 551167778 /nfs/dbraw/zinc/16/77/78/551167778.db2.gz JOQMOGZIRWDQPA-UHFFFAOYSA-N 1 0 375.270 2.848 20 0 GFADRO CC(C)[NH+](CCNC(=O)NCCS(=O)(=O)c1ccc(Cl)cc1)C(C)C ZINC000054506558 551169423 /nfs/dbraw/zinc/16/94/23/551169423.db2.gz ICGMUESZSITECF-UHFFFAOYSA-N 1 0 389.949 2.532 20 0 GFADRO CN(CC(=O)Nc1ccc(C[NH+](C)C)cc1)C(=O)c1ccc(Br)o1 ZINC000054572335 551169555 /nfs/dbraw/zinc/16/95/55/551169555.db2.gz CIGJQFXJLXJFSG-UHFFFAOYSA-N 1 0 394.269 2.814 20 0 GFADRO C[NH+]1CCN(c2cc(CNC(=O)CCc3ccc(Cl)s3)ccn2)CC1 ZINC000056793022 551177879 /nfs/dbraw/zinc/17/78/79/551177879.db2.gz JINQVBWWQRVGFI-UHFFFAOYSA-N 1 0 378.929 2.797 20 0 GFADRO CC(C)(C)[N@@H+]1CCCN(C(=O)CNC(=O)c2cccc(Br)c2)CC1 ZINC000063864983 551184305 /nfs/dbraw/zinc/18/43/05/551184305.db2.gz PJZVDGCFMHDWRK-UHFFFAOYSA-N 1 0 396.329 2.512 20 0 GFADRO CN(C(=O)c1cncc(Br)c1)C1CC[NH+](C2CCOCC2)CC1 ZINC000065039804 551185412 /nfs/dbraw/zinc/18/54/12/551185412.db2.gz NBEJQZJTLMZQGJ-UHFFFAOYSA-N 1 0 382.302 2.560 20 0 GFADRO COc1cccc(OC)c1OC[C@@H](O)C[NH2+]Cc1ccccc1Br ZINC000067976906 551190803 /nfs/dbraw/zinc/19/08/03/551190803.db2.gz PJCHIHWELXQZFZ-AWEZNQCLSA-N 1 0 396.281 2.996 20 0 GFADRO O=C(CN1CCC[C@@H](C[NH+]2CCOCC2)C1)Nc1ccc(Cl)cc1Cl ZINC000112201583 551204964 /nfs/dbraw/zinc/20/49/64/551204964.db2.gz OKCXOUIJMWXBPM-AWEZNQCLSA-N 1 0 386.323 2.976 20 0 GFADRO O=C(CCc1cc(Cl)cs1)NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000119677343 551218364 /nfs/dbraw/zinc/21/83/64/551218364.db2.gz FCUUNQWAJOVBRB-QGZVFWFLSA-N 1 0 378.925 2.870 20 0 GFADRO Cc1ccc(NC(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c(Br)c1 ZINC000120326363 551219400 /nfs/dbraw/zinc/21/94/00/551219400.db2.gz VWZHOIUVMZANPH-CZUORRHYSA-N 1 0 394.313 2.639 20 0 GFADRO COc1cc(C[NH2+]CC2CCS(=O)(=O)CC2)ccc1OCC(F)(F)F ZINC000120759195 551221513 /nfs/dbraw/zinc/22/15/13/551221513.db2.gz DGGKKPYYKMNVPP-UHFFFAOYSA-N 1 0 381.416 2.551 20 0 GFADRO C[C@H](O)[C@@H]1CCC[N@H+](C[C@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000120790320 551222294 /nfs/dbraw/zinc/22/22/94/551222294.db2.gz YJUVRBSBIQXYFB-SCRDCRAPSA-N 1 0 392.721 2.935 20 0 GFADRO CCC[NH+]1CCC(NC(=O)C(=O)Nc2cccc(C)c2Br)CC1 ZINC000121061591 551226268 /nfs/dbraw/zinc/22/62/68/551226268.db2.gz SLXKGIAQHKVYJY-UHFFFAOYSA-N 1 0 382.302 2.687 20 0 GFADRO CN(Cc1ccc(Br)o1)C(=O)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000121095119 551227126 /nfs/dbraw/zinc/22/71/26/551227126.db2.gz LOTQFKDMEKUGIP-UHFFFAOYSA-N 1 0 394.269 2.701 20 0 GFADRO C[NH2+]CCCNC(=O)c1cnn(-c2ncc(Cl)cc2Cl)c1C(F)(F)F ZINC000121542491 551236847 /nfs/dbraw/zinc/23/68/47/551236847.db2.gz AKQYTCYFUTVWAH-UHFFFAOYSA-N 1 0 396.200 2.932 20 0 GFADRO CCOc1c(Br)cc(Cl)cc1NC(=O)NC[C@H]1C[NH2+]CCO1 ZINC000414778281 563752941 /nfs/dbraw/zinc/75/29/41/563752941.db2.gz PLLISKDHPHFCQK-SNVBAGLBSA-N 1 0 392.681 2.611 20 0 GFADRO O=C(COc1ccccc1Br)N1CCN(c2cc[nH+]cc2)CC1 ZINC000122244502 551296177 /nfs/dbraw/zinc/29/61/77/551296177.db2.gz FLAGUFJVBNKBDJ-UHFFFAOYSA-N 1 0 376.254 2.572 20 0 GFADRO CN1CCC([NH+]2CCC(NC(=O)Nc3ccc(Br)nc3)CC2)CC1 ZINC000122228089 551296226 /nfs/dbraw/zinc/29/62/26/551296226.db2.gz KYJPQWFZOKQVJD-UHFFFAOYSA-N 1 0 396.333 2.524 20 0 GFADRO CC[N@@H+]1CCCN(C(=O)Nc2cc(Br)cnc2-n2cccn2)CC1 ZINC000122482096 551298173 /nfs/dbraw/zinc/29/81/73/551298173.db2.gz LHIKFBWNVOBILB-UHFFFAOYSA-N 1 0 393.289 2.589 20 0 GFADRO C[C@H](Cc1ccc(Br)cc1)C(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000123171058 551303978 /nfs/dbraw/zinc/30/39/78/551303978.db2.gz QRAKZOIZIXFRNM-MRXNPFEDSA-N 1 0 396.373 2.772 20 0 GFADRO CC[NH+]1CCN(CCCNC(=O)c2ccc(Cl)cc2Br)CC1 ZINC000123273763 551304709 /nfs/dbraw/zinc/30/47/09/551304709.db2.gz CIIOPRZCTFRANS-UHFFFAOYSA-N 1 0 388.737 2.860 20 0 GFADRO COC[C@@](C)(CC(=O)OC)[NH2+]CC(=O)N[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000123354002 551305577 /nfs/dbraw/zinc/30/55/77/551305577.db2.gz MEXPXNDOLHJSAR-APPDUMDISA-N 1 0 391.295 2.728 20 0 GFADRO C[NH+](C)CCOc1cc(CNC(=O)c2cccc(Br)c2)ccn1 ZINC000124336085 551313383 /nfs/dbraw/zinc/31/33/83/551313383.db2.gz UZLNOWQJFBCBLD-UHFFFAOYSA-N 1 0 378.270 2.715 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+]C[C@]1(O)CCSC1 ZINC000126318273 551328725 /nfs/dbraw/zinc/32/87/25/551328725.db2.gz RRBPDVNGGSBUSX-MRXNPFEDSA-N 1 0 382.327 2.901 20 0 GFADRO COc1ccccc1[C@@H](CNC(=O)CSc1nncs1)[NH+]1CCCC1 ZINC000126756823 551332353 /nfs/dbraw/zinc/33/23/53/551332353.db2.gz JUKJCEHEDYXKRF-CQSZACIVSA-N 1 0 378.523 2.592 20 0 GFADRO CCN(CCC[NH2+][C@@H](C)c1ccc(Br)cc1F)S(C)(=O)=O ZINC000126999448 551335615 /nfs/dbraw/zinc/33/56/15/551335615.db2.gz XXGCEGDIYMOQBO-NSHDSACASA-N 1 0 381.311 2.910 20 0 GFADRO O=C(CNC(=O)c1ccc(Cl)c(Cl)c1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000126982634 551335611 /nfs/dbraw/zinc/33/56/11/551335611.db2.gz JDLCOHNJYXXVDC-CYBMUJFWSA-N 1 0 384.307 2.668 20 0 GFADRO C[C@H](CCS(C)(=O)=O)[NH2+][C@@H](C)CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000127146684 551337410 /nfs/dbraw/zinc/33/74/10/551337410.db2.gz APXHQVLRUWBBGC-NEPJUHHUSA-N 1 0 380.432 2.835 20 0 GFADRO CC[C@@H]([NH2+]CCc1ccc(S(=O)(=O)N2CCCCC2)s1)[C@H]1CCOC1 ZINC000127258592 551338645 /nfs/dbraw/zinc/33/86/45/551338645.db2.gz RCXGGIRATJAYAV-DOTOQJQBSA-N 1 0 386.583 2.870 20 0 GFADRO Cc1ccc(S(=O)(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)cc1Cl ZINC000127450752 551340931 /nfs/dbraw/zinc/34/09/31/551340931.db2.gz ZICCWNARRAJDLN-ZWKOTPCHSA-N 1 0 386.945 2.695 20 0 GFADRO Cc1ccc(Br)c(NC(=O)C(=O)NCCCNc2ccccn2)c1 ZINC000128014740 551345432 /nfs/dbraw/zinc/34/54/32/551345432.db2.gz DIQXSJIVSCDQQW-UHFFFAOYSA-N 1 0 391.269 2.709 20 0 GFADRO CN(CC1CC[NH+](C)CC1)C(=O)Cc1ccccc1I ZINC000129007887 551354752 /nfs/dbraw/zinc/35/47/52/551354752.db2.gz JJHNDYWHEFUKNG-UHFFFAOYSA-N 1 0 386.277 2.634 20 0 GFADRO C[C@@H](CC[NH2+]Cc1cc(Br)c2c(c1)OCCCO2)[S@@](C)=O ZINC000129335358 551356035 /nfs/dbraw/zinc/35/60/35/551356035.db2.gz GRFRRJCUHJCQIY-MQJDWESPSA-N 1 0 376.316 2.857 20 0 GFADRO O=C(NC[C@@H]1CCC[NH2+]C1)[C@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl ZINC000129760088 551359779 /nfs/dbraw/zinc/35/97/79/551359779.db2.gz VJBFOKBWGIVYDV-MLGOLLRUSA-N 1 0 384.307 2.714 20 0 GFADRO C[NH+](C)C[C@H]1CCN(C(=O)N[C@@H]2CCN(c3ccccc3Br)C2)C1 ZINC000129973652 551360560 /nfs/dbraw/zinc/36/05/60/551360560.db2.gz APUUTRSNJNLEGT-HUUCEWRRSA-N 1 0 395.345 2.621 20 0 GFADRO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]C[C@H](O)COCC1CC1 ZINC000129997240 551360959 /nfs/dbraw/zinc/36/09/59/551360959.db2.gz GQSFQPFWLCMWDT-WBMJQRKESA-N 1 0 385.302 2.543 20 0 GFADRO OCC1(C[NH2+]Cc2cc(Br)ccc2OC(F)F)CCOCC1 ZINC000130035335 551361299 /nfs/dbraw/zinc/36/12/99/551361299.db2.gz IVXWOMNMHVYCFB-UHFFFAOYSA-N 1 0 380.229 2.929 20 0 GFADRO Cc1sc(C(=O)NC[C@]2([NH+](C)C)CCC[C@H](C)C2)cc1CS(C)(=O)=O ZINC000130387809 551364188 /nfs/dbraw/zinc/36/41/88/551364188.db2.gz PEHHHMCUYHASJR-UGSOOPFHSA-N 1 0 386.583 2.841 20 0 GFADRO NC(=O)c1csc(C[NH2+]C[C@H](c2ccccc2Cl)N2CCOCC2)c1 ZINC000130440554 551364922 /nfs/dbraw/zinc/36/49/22/551364922.db2.gz ZYXKAVRJFHUXOQ-QGZVFWFLSA-N 1 0 379.913 2.664 20 0 GFADRO CN(CC[NH+](C)C)C(=O)Nc1nnc(-c2cccc(Br)c2)s1 ZINC000130515083 551365725 /nfs/dbraw/zinc/36/57/25/551365725.db2.gz MYDUSQJLQWNDEP-UHFFFAOYSA-N 1 0 384.303 2.993 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H](NC(=O)Nc2cc(F)c(I)c(F)c2)C1 ZINC000415119666 563759745 /nfs/dbraw/zinc/75/97/45/563759745.db2.gz KRRLKJRWUMATDH-HTQZYQBOSA-N 1 0 395.191 2.961 20 0 GFADRO COc1cc(C[NH2+]C2(C)CCOCC2)cc(I)c1OC ZINC000131109388 551372291 /nfs/dbraw/zinc/37/22/91/551372291.db2.gz SOYOZAZFZNMDIX-UHFFFAOYSA-N 1 0 391.249 2.967 20 0 GFADRO CC[C@@H](C)[N@H+](C)CCNC(=O)c1ccnc(Cl)c1I ZINC000131275437 551373244 /nfs/dbraw/zinc/37/32/44/551373244.db2.gz ZBLAYACMOABAOR-SECBINFHSA-N 1 0 395.672 2.800 20 0 GFADRO O=S(=O)(NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1c(F)cccc1Cl ZINC000133102237 551381372 /nfs/dbraw/zinc/38/13/72/551381372.db2.gz FTSFNKRDZLUMLZ-HOTGVXAUSA-N 1 0 390.908 2.525 20 0 GFADRO COCC[NH+]1CCC(NC(=O)Cc2c[nH]c3cccc(Br)c23)CC1 ZINC000133104877 551381466 /nfs/dbraw/zinc/38/14/66/551381466.db2.gz BISKXFQWHKBMNI-UHFFFAOYSA-N 1 0 394.313 2.700 20 0 GFADRO Cc1ccc(I)cc1C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000133457115 551382738 /nfs/dbraw/zinc/38/27/38/551382738.db2.gz DNHHVRJEWUQOBR-UHFFFAOYSA-N 1 0 384.261 2.767 20 0 GFADRO CN(C)S(=O)(=O)CCC[N@@H+]1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000134448346 551385692 /nfs/dbraw/zinc/38/56/92/551385692.db2.gz FYNUIBHBTHOYHK-NSHDSACASA-N 1 0 385.477 2.623 20 0 GFADRO Cc1cc(COc2ccc(C(=O)N3CC([NH+](C)C)C3)cc2Br)on1 ZINC000134974742 551386869 /nfs/dbraw/zinc/38/68/69/551386869.db2.gz LWJAOUKSVMALMX-UHFFFAOYSA-N 1 0 394.269 2.711 20 0 GFADRO C[C@@H]1C[C@H](N(C)C(=O)c2ccc(Br)cc2-n2cncn2)CC[N@@H+]1C ZINC000135652668 551388491 /nfs/dbraw/zinc/38/84/91/551388491.db2.gz FEIGAMOYYFQQTP-TZMCWYRMSA-N 1 0 392.301 2.585 20 0 GFADRO O=C([C@@H]1CC12CC[NH2+]CC2)N1CCO[C@H](c2cccc(Br)c2)C1 ZINC000136994584 551390333 /nfs/dbraw/zinc/39/03/33/551390333.db2.gz RFLFUFUZYWXKLL-HOTGVXAUSA-N 1 0 379.298 2.739 20 0 GFADRO Cc1cccc(C(=O)N2CCC[N@@H+](C3CC3)CC2)c1I ZINC000148952510 551398471 /nfs/dbraw/zinc/39/84/71/551398471.db2.gz DMWHLALBLBOWPH-UHFFFAOYSA-N 1 0 384.261 2.910 20 0 GFADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)CNC(=O)c3ccc(Cl)cc3Cl)CC[C@@H]21 ZINC000150971827 551404548 /nfs/dbraw/zinc/40/45/48/551404548.db2.gz ZODOCGDXEXOFEV-WBMJQRKESA-N 1 0 384.307 2.666 20 0 GFADRO COC(=O)CS(=O)(=O)Cc1ccc(C[NH2+]Cc2ccccc2Cl)cc1 ZINC000151328093 551411211 /nfs/dbraw/zinc/41/12/11/551411211.db2.gz HEHCDFIBFXWTTC-UHFFFAOYSA-N 1 0 381.881 2.718 20 0 GFADRO O=S(=O)(NCc1cccc(F)c1)c1cccc(C[NH2+][C@H]2CCSC2)c1 ZINC000151552640 551415847 /nfs/dbraw/zinc/41/58/47/551415847.db2.gz ZYWDCJMKPWFPRJ-KRWDZBQOSA-N 1 0 380.510 2.899 20 0 GFADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)Nc1cccnn1 ZINC000151941753 551423553 /nfs/dbraw/zinc/42/35/53/551423553.db2.gz PKYMTYFGQHHCFO-UHFFFAOYSA-N 1 0 378.274 2.835 20 0 GFADRO O=S(=O)(c1ccc(C[NH2+][C@@H]2CCC[C@@H](C3CC3)C2)s1)N1CCOCC1 ZINC000152148371 551427098 /nfs/dbraw/zinc/42/70/98/551427098.db2.gz DMZRICHCYWUQGM-HZPDHXFCSA-N 1 0 384.567 2.827 20 0 GFADRO COCCC[N@H+](C)CCNC(=O)COc1ccc(Br)cc1Cl ZINC000152339126 551431327 /nfs/dbraw/zinc/43/13/27/551431327.db2.gz PLMCIVQJUAKAAG-UHFFFAOYSA-N 1 0 393.709 2.566 20 0 GFADRO O=S(=O)(c1ccc(Br)c(Cl)c1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000153075827 551446310 /nfs/dbraw/zinc/44/63/10/551446310.db2.gz IGOOPFJFSZLGDW-LLVKDONJSA-N 1 0 393.734 2.961 20 0 GFADRO C[C@H](NC(=O)N1CCC([N@H+](C)CCCO)CC1)c1cccc(Br)c1 ZINC000153411107 551452021 /nfs/dbraw/zinc/45/20/21/551452021.db2.gz AACLATTZIJZKHR-AWEZNQCLSA-N 1 0 398.345 2.998 20 0 GFADRO C[C@H]([NH2+]C1CCN(S(=O)(=O)c2cnn(C)c2)CC1)c1ccccc1Cl ZINC000153628002 551457055 /nfs/dbraw/zinc/45/70/55/551457055.db2.gz YDKQGPHICDHGNY-ZDUSSCGKSA-N 1 0 382.917 2.577 20 0 GFADRO CN(C(=O)c1nn(-c2ccc(F)cc2)cc1Br)[C@@H]1CCC[N@H+](C)C1 ZINC000153682621 551457863 /nfs/dbraw/zinc/45/78/63/551457863.db2.gz DYXREZKLTFQODC-CQSZACIVSA-N 1 0 395.276 2.940 20 0 GFADRO CSC[C@](C)(O)C[NH2+][C@@H](C)CC(=O)Nc1ccc(Br)cc1 ZINC000153668807 551457955 /nfs/dbraw/zinc/45/79/55/551457955.db2.gz JILJIFMCYUVCNP-XHDPSFHLSA-N 1 0 375.332 2.870 20 0 GFADRO CN(CCCN1CC[NH+](C)CC1)C(=O)c1ccc(Br)c(Cl)c1 ZINC000153874106 551462270 /nfs/dbraw/zinc/46/22/70/551462270.db2.gz BLWDQVCOELGPMV-UHFFFAOYSA-N 1 0 388.737 2.812 20 0 GFADRO CN(C(=O)c1ccc(I)c(F)c1)[C@@H]1CCC[N@H+](C)C1 ZINC000153925374 551463188 /nfs/dbraw/zinc/46/31/88/551463188.db2.gz NZWKHOXHNGBLCI-LLVKDONJSA-N 1 0 376.213 2.597 20 0 GFADRO C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1ccnc(-c2ccc(Br)cc2)n1 ZINC000153984524 551464494 /nfs/dbraw/zinc/46/44/94/551464494.db2.gz SUCYKKRJBVMRSU-GXTWGEPZSA-N 1 0 389.297 2.992 20 0 GFADRO Brc1cc2c(c(C[N@@H+]3CCC[C@H](Cn4ccnn4)C3)c1)OCC2 ZINC000154040024 551465827 /nfs/dbraw/zinc/46/58/27/551465827.db2.gz XSMNWJHVANFGTP-ZDUSSCGKSA-N 1 0 377.286 2.888 20 0 GFADRO C[C@H](Cc1ccc(Br)cc1)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000154577620 551478398 /nfs/dbraw/zinc/47/83/98/551478398.db2.gz CUDIKEPBTGSTQC-OAHLLOKOSA-N 1 0 395.341 2.951 20 0 GFADRO CC[NH+]1CCN([C@H](C)CNC(=O)c2ccc(Br)c(Cl)c2)CC1 ZINC000154635481 551480017 /nfs/dbraw/zinc/48/00/17/551480017.db2.gz CHPHINHBMIFXNH-GFCCVEGCSA-N 1 0 388.737 2.858 20 0 GFADRO CCCC[NH+]1CCC(NC(=O)CNC(=O)c2ccc(Br)cc2)CC1 ZINC000154881772 551484688 /nfs/dbraw/zinc/48/46/88/551484688.db2.gz GFKQXMHCPXEFBA-UHFFFAOYSA-N 1 0 396.329 2.560 20 0 GFADRO COCC(C)(C)[NH2+]CC(=O)Nc1ccc(I)cc1C ZINC000154865844 551484802 /nfs/dbraw/zinc/48/48/02/551484802.db2.gz ZWRGSWCMHUJYLC-UHFFFAOYSA-N 1 0 376.238 2.553 20 0 GFADRO C[C@H]1CCC[N@@H+]1C1CCN(c2ncnc3c2c(Br)nn3C)CC1 ZINC000154958373 551486738 /nfs/dbraw/zinc/48/67/38/551486738.db2.gz STLPIXBEEHCODF-NSHDSACASA-N 1 0 379.306 2.579 20 0 GFADRO O=C(NC[C@@H](O)c1ccc(Cl)cc1Cl)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC000155317500 551496996 /nfs/dbraw/zinc/49/69/96/551496996.db2.gz MUJGSFPESZAKNO-IAGOWNOFSA-N 1 0 387.307 2.786 20 0 GFADRO CC[C@H](C)[C@H]([NH3+])C(=O)NCC1(c2ccc(Br)cc2)CCOCC1 ZINC000155401084 551499076 /nfs/dbraw/zinc/49/90/76/551499076.db2.gz BQMXLFHATXSBJB-BBRMVZONSA-N 1 0 383.330 2.987 20 0 GFADRO O=C(C[NH+]1CCC(OCc2ccc(Cl)c(Cl)c2)CC1)N1CCNC1=O ZINC000155759119 551506930 /nfs/dbraw/zinc/50/69/30/551506930.db2.gz LBOHGHBCYDYJNC-UHFFFAOYSA-N 1 0 386.279 2.526 20 0 GFADRO C[C@@H](C[NH+]1CCCCC1)NC(=O)c1cc(=O)[nH]c2ccc(Br)cc21 ZINC000156033080 551513375 /nfs/dbraw/zinc/51/33/75/551513375.db2.gz UGQXQECMBFLPNS-LBPRGKRZSA-N 1 0 392.297 2.895 20 0 GFADRO C[C@H]1CCCC[N@@H+]1CCNC(=O)c1cc(=O)[nH]c2ccc(Br)cc21 ZINC000156190242 551517030 /nfs/dbraw/zinc/51/70/30/551517030.db2.gz HSQSNSOVGRMOPB-LBPRGKRZSA-N 1 0 392.297 2.895 20 0 GFADRO CC(=O)N1CC[C@@H](C[N@@H+](C)[C@@H](C)C(=O)Nc2ccc(Br)c(C)c2)C1 ZINC000156356974 551520945 /nfs/dbraw/zinc/52/09/45/551520945.db2.gz HHOSJPQUQGHDPB-ZFWWWQNUSA-N 1 0 396.329 2.885 20 0 GFADRO CC(=O)N1CC[C@H](C[N@@H+](C)CC(=O)N(C)Cc2ccc(Cl)c(Cl)c2)C1 ZINC000156383868 551522045 /nfs/dbraw/zinc/52/20/45/551522045.db2.gz ZTVXSKYSSFOKNF-OAHLLOKOSA-N 1 0 386.323 2.752 20 0 GFADRO CC(=O)N1CC[C@@H](C[N@@H+](C)CC(=O)N[C@@H](C)c2ccc(Cl)c(Cl)c2)C1 ZINC000156613287 551526101 /nfs/dbraw/zinc/52/61/01/551526101.db2.gz ODRRCXUPIUYFJD-JSGCOSHPSA-N 1 0 386.323 2.971 20 0 GFADRO C[NH+](C)CCNC(=O)C(=O)Nc1cc(Cl)ccc1SCC(F)(F)F ZINC000156721382 551527067 /nfs/dbraw/zinc/52/70/67/551527067.db2.gz VJGHQSBGCLWKLM-UHFFFAOYSA-N 1 0 383.823 2.611 20 0 GFADRO C[C@@H](CNC(=O)Nc1ccc(Br)cc1F)C[NH+]1CCN(C)CC1 ZINC000157663620 551541001 /nfs/dbraw/zinc/54/10/01/551541001.db2.gz GWYJSDGTDQUJHX-LBPRGKRZSA-N 1 0 387.297 2.593 20 0 GFADRO CCOCCO[C@H]1CCN([C@@H](C)C(=O)Nc2ccc(Br)cc2)C1 ZINC000157766472 551542330 /nfs/dbraw/zinc/54/23/30/551542330.db2.gz ZYZNUKBLFMSZJI-BBRMVZONSA-N 1 0 385.302 2.904 20 0 GFADRO CCOCCO[C@H]1CCN([C@@H](C)C(=O)Nc2ccccc2Br)C1 ZINC000157753384 551542403 /nfs/dbraw/zinc/54/24/03/551542403.db2.gz QFBDPHNOMSJWIG-KBPBESRZSA-N 1 0 385.302 2.904 20 0 GFADRO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)c1ccc(S(=O)(=O)c2ccccc2)s1 ZINC000158376601 551551106 /nfs/dbraw/zinc/55/11/06/551551106.db2.gz ZICOLPJBHJLMSC-DZGCQCFKSA-N 1 0 378.519 2.828 20 0 GFADRO COc1ccc(CNC(=O)N2CC[N@H+](C)C[C@@H]2C(C)C)cc1Br ZINC000158510051 551552792 /nfs/dbraw/zinc/55/27/92/551552792.db2.gz PSKBZMJBJJJHBP-OAHLLOKOSA-N 1 0 384.318 2.939 20 0 GFADRO CC(C)[C@H](CNC(=O)[C@H](C)c1ccc(Br)cc1)[NH+]1CCN(C)CC1 ZINC000158557900 551553921 /nfs/dbraw/zinc/55/39/21/551553921.db2.gz IKHPUFGUTBYXGA-QAPCUYQASA-N 1 0 396.373 2.941 20 0 GFADRO CC(C)(C)[NH2+]CCNC(=O)c1cc(I)c(F)cc1F ZINC000158762808 551556287 /nfs/dbraw/zinc/55/62/87/551556287.db2.gz UETRIWYSRLDFJT-UHFFFAOYSA-N 1 0 382.192 2.687 20 0 GFADRO O=C(CCCCc1ccc(Br)cc1)NCCCN1CC[NH2+]CC1 ZINC000158765118 551556310 /nfs/dbraw/zinc/55/63/10/551556310.db2.gz IVSSMDMEHGZJAZ-UHFFFAOYSA-N 1 0 382.346 2.573 20 0 GFADRO CCCN(CC[NH+](C)C)C(=O)c1cc(=O)[nH]c2ccc(Br)cc21 ZINC000159043639 551560349 /nfs/dbraw/zinc/56/03/49/551560349.db2.gz AKYSYLPHBFBWBX-UHFFFAOYSA-N 1 0 380.286 2.704 20 0 GFADRO [NH3+][C@H]1CCC[C@@H](NC(=O)CCc2nc(-c3cc(Br)cs3)no2)C1 ZINC000161721046 551597760 /nfs/dbraw/zinc/59/77/60/551597760.db2.gz HNYZBNRKZSVDGZ-WDEREUQCSA-N 1 0 399.314 2.879 20 0 GFADRO C[C@H](C[NH+]1CCCCC1)NS(=O)(=O)c1ccc(Br)cc1F ZINC000161992156 551602050 /nfs/dbraw/zinc/60/20/50/551602050.db2.gz IDJNFSVXUYBLPB-LLVKDONJSA-N 1 0 379.295 2.741 20 0 GFADRO CC(=O)Nc1ccc(CC[NH2+][C@@H](C(N)=O)c2cccc(Br)c2)cc1 ZINC000162074220 551603132 /nfs/dbraw/zinc/60/31/32/551603132.db2.gz KNWWYSHHACGHRH-QGZVFWFLSA-N 1 0 390.281 2.766 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H](NC(=O)C2(c3ccc(Br)cc3)CCOCC2)C1 ZINC000162111627 551603682 /nfs/dbraw/zinc/60/36/82/551603682.db2.gz LHBUFKVFYJEFTG-HZPDHXFCSA-N 1 0 381.314 2.883 20 0 GFADRO NC(=O)[C@@H](N[C@H]1CC[N@H+](CC2CCCC2)C1)c1cccc(Br)c1 ZINC000162188757 551604923 /nfs/dbraw/zinc/60/49/23/551604923.db2.gz GBGRWLYKIZHZGV-IRXDYDNUSA-N 1 0 380.330 2.830 20 0 GFADRO NC(=O)[C@@H]([NH2+]C[C@H]1CC(=O)Nc2ccccc21)c1cccc(Br)c1 ZINC000162230078 551605538 /nfs/dbraw/zinc/60/55/38/551605538.db2.gz YMXSOIIVBDUHJJ-PXAZEXFGSA-N 1 0 388.265 2.691 20 0 GFADRO NC(=O)[C@H]([NH2+][C@H]1CCO[C@]2(CCSC2)C1)c1cccc(Br)c1 ZINC000162287211 551606761 /nfs/dbraw/zinc/60/67/61/551606761.db2.gz MQLRNFIHZCEQGY-SQWLQELKSA-N 1 0 385.327 2.620 20 0 GFADRO O=C(C1CC[NH+](Cc2cnc(-c3ccsc3)s2)CC1)N1CCOCC1 ZINC000162669621 551611541 /nfs/dbraw/zinc/61/15/41/551611541.db2.gz BKQOVACTCWDHRN-UHFFFAOYSA-N 1 0 377.535 2.942 20 0 GFADRO CC1CC[NH+](C[C@@H](O)CNC(=O)c2cc(F)c(F)cc2Br)CC1 ZINC000162727350 551612171 /nfs/dbraw/zinc/61/21/71/551612171.db2.gz PJLLFYXXTDDNFL-NSHDSACASA-N 1 0 391.256 2.550 20 0 GFADRO CCCC[C@H](C[NH3+])NC(=O)c1nnn(-c2cccc(Br)c2)c1C ZINC000162764199 551612387 /nfs/dbraw/zinc/61/23/87/551612387.db2.gz JEFIWAWWPOEBMV-CYBMUJFWSA-N 1 0 380.290 2.586 20 0 GFADRO C[C@H]([NH2+]C[C@@H]1CCN(CC(F)(F)F)C1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000163144893 551616621 /nfs/dbraw/zinc/61/66/21/551616621.db2.gz QQCLHTXFKIURBI-RYUDHWBXSA-N 1 0 382.423 2.764 20 0 GFADRO C[C@@H]1C[N@@H+](C2CCN(C(=O)[C@H](O)c3cc(Cl)cc(Cl)c3)CC2)CCO1 ZINC000163879324 551622757 /nfs/dbraw/zinc/62/27/57/551622757.db2.gz XWPWSLOHQFNYPQ-SJKOYZFVSA-N 1 0 387.307 2.739 20 0 GFADRO CO[C@@H]1CCN(CCOc2ccc(Cl)cc2Br)[C@H](C[NH3+])C1 ZINC000167324821 551633029 /nfs/dbraw/zinc/63/30/29/551633029.db2.gz GNXYSIHDHPGGNH-QWHCGFSZSA-N 1 0 377.710 2.919 20 0 GFADRO COCCC[NH+]1CCC(NC(=O)c2cc(OC)ccc2Br)CC1 ZINC000171125090 551648012 /nfs/dbraw/zinc/64/80/12/551648012.db2.gz PWIFEIWNQMETAM-UHFFFAOYSA-N 1 0 385.302 2.688 20 0 GFADRO CCn1cc(Br)cc1C(=O)N1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000171258637 551651359 /nfs/dbraw/zinc/65/13/59/551651359.db2.gz YUKVRLHZGSIROR-ZDUSSCGKSA-N 1 0 384.318 2.596 20 0 GFADRO C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000171440401 551655668 /nfs/dbraw/zinc/65/56/68/551655668.db2.gz UXRLTJFQDQCPDQ-CHWSQXEVSA-N 1 0 384.307 2.808 20 0 GFADRO O=C(/C=C/c1ccc(I)o1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000171451241 551656106 /nfs/dbraw/zinc/65/61/06/551656106.db2.gz ORHCXVKDMBYTHT-FUEXJSSKSA-N 1 0 386.233 2.594 20 0 GFADRO COc1cc[nH+]c(N2CCN(C(=O)c3cc(Br)cs3)CC2)c1 ZINC000171564564 551657942 /nfs/dbraw/zinc/65/79/42/551657942.db2.gz GIUSTQBMAOXRTH-UHFFFAOYSA-N 1 0 382.283 2.877 20 0 GFADRO O=C(NCCC[NH+]1CCC(O)CC1)[C@H]1C[C@@H]1c1ccc(Br)cc1 ZINC000172312864 551676086 /nfs/dbraw/zinc/67/60/86/551676086.db2.gz WKFTZGOTHKBJQE-SJORKVTESA-N 1 0 381.314 2.516 20 0 GFADRO O=C(NCCC[NH+]1CCC(O)CC1)c1cc(Cl)ccc1Br ZINC000172344735 551677135 /nfs/dbraw/zinc/67/71/35/551677135.db2.gz HFHNVOWASHFNQG-UHFFFAOYSA-N 1 0 375.694 2.679 20 0 GFADRO O=C(CCc1cccc(Br)c1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000172385784 551677771 /nfs/dbraw/zinc/67/77/71/551677771.db2.gz YOMDGBGLKBKIJP-UHFFFAOYSA-N 1 0 395.341 2.953 20 0 GFADRO O=C(CN1CC[NH+](CC2CCOCC2)CC1)Nc1ccc(Cl)cc1Cl ZINC000172428335 551679007 /nfs/dbraw/zinc/67/90/07/551679007.db2.gz RSBVZGMSFLUHJS-UHFFFAOYSA-N 1 0 386.323 2.976 20 0 GFADRO C[NH+](C)C1(CNC(=O)N2CCc3cccc(Br)c3C2)CCOCC1 ZINC000172477861 551679802 /nfs/dbraw/zinc/67/98/02/551679802.db2.gz ZGIAPVLNJILDMZ-UHFFFAOYSA-N 1 0 396.329 2.628 20 0 GFADRO Cc1nc(C)c(C[NH+]2CCC(N(CC(F)(F)F)S(C)(=O)=O)CC2)s1 ZINC000172804285 551687223 /nfs/dbraw/zinc/68/72/23/551687223.db2.gz LQGZXYBCJZLWFH-UHFFFAOYSA-N 1 0 385.477 2.548 20 0 GFADRO C[NH2+]CCN(C)C(=O)Nc1cc(OC)c(Br)cc1Br ZINC000415593767 563786182 /nfs/dbraw/zinc/78/61/82/563786182.db2.gz VFJFGVISDWNDJW-UHFFFAOYSA-N 1 0 395.095 2.903 20 0 GFADRO COC(=O)c1cc(NC(=O)N[C@H](C)CCC[NH3+])cc(Br)c1F ZINC000415618348 563788135 /nfs/dbraw/zinc/78/81/35/563788135.db2.gz WXASRPOGKXLZDJ-MRVPVSSYSA-N 1 0 376.226 2.624 20 0 GFADRO O=C(Nc1ccc(Br)cc1)C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000173568910 552088519 /nfs/dbraw/zinc/08/85/19/552088519.db2.gz BDPBESHHHNLEIZ-MRXNPFEDSA-N 1 0 394.313 2.768 20 0 GFADRO O=C(CN1CC[C@H](C[NH+]2CCCCC2)C1)Nc1ccc(Br)cn1 ZINC000173596019 552088627 /nfs/dbraw/zinc/08/86/27/552088627.db2.gz NWQNDROOVOGOFW-CQSZACIVSA-N 1 0 381.318 2.590 20 0 GFADRO CC[NH+](CC)C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(C)cc2Br)C1 ZINC000173610746 552088977 /nfs/dbraw/zinc/08/89/77/552088977.db2.gz OWDDRKANTWMJRN-AWEZNQCLSA-N 1 0 396.329 2.886 20 0 GFADRO Cc1ccc(Br)cc1C(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000173640207 552089858 /nfs/dbraw/zinc/08/98/58/552089858.db2.gz KDHLRRXLQGJIEA-UHFFFAOYSA-N 1 0 394.357 2.857 20 0 GFADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2cccc(Br)c2C)C1 ZINC000173651403 552090267 /nfs/dbraw/zinc/09/02/67/552090267.db2.gz ISVPEBGTORNPQT-AWEZNQCLSA-N 1 0 396.329 2.886 20 0 GFADRO CC(C)OCC[NH+]1CCN(C[C@@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000173961230 552095643 /nfs/dbraw/zinc/09/56/43/552095643.db2.gz BYEHAGILNPMXBE-OAHLLOKOSA-N 1 0 391.339 2.776 20 0 GFADRO O=C(CCc1ccccc1Br)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000174171487 552101116 /nfs/dbraw/zinc/10/11/16/552101116.db2.gz QHOJAFRIZFSCQH-OAHLLOKOSA-N 1 0 381.314 2.562 20 0 GFADRO CCC[N@H+](CC)CCNC(=O)Cc1csc(NC(=O)c2cccs2)n1 ZINC000174640289 552107232 /nfs/dbraw/zinc/10/72/32/552107232.db2.gz ANDYALRXYKPRHE-UHFFFAOYSA-N 1 0 380.539 2.848 20 0 GFADRO CCCC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(Br)cc2)CC1 ZINC000174962262 552113038 /nfs/dbraw/zinc/11/30/38/552113038.db2.gz IOIPLMPBHIEGJP-UHFFFAOYSA-N 1 0 382.302 2.768 20 0 GFADRO C[N@@H+]1CCN(CC(=O)Nc2ccc(Br)cn2)C2(CCCCC2)C1 ZINC000175063258 552114733 /nfs/dbraw/zinc/11/47/33/552114733.db2.gz YWAPXUQJGZAIRB-UHFFFAOYSA-N 1 0 381.318 2.733 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000175217773 552118016 /nfs/dbraw/zinc/11/80/16/552118016.db2.gz OVMCTFYMLGVQMA-UHFFFAOYSA-N 1 0 383.334 2.905 20 0 GFADRO COc1ccc(Br)c(S(=O)(=O)NCC[NH+]2CCCCCC2)c1 ZINC000175215272 552118043 /nfs/dbraw/zinc/11/80/43/552118043.db2.gz GTNARNDBVGIMHC-UHFFFAOYSA-N 1 0 391.331 2.612 20 0 GFADRO C[NH+](C)CCN(Cc1cccs1)C(=O)c1cn(Cc2cccs2)nn1 ZINC000175657585 552126425 /nfs/dbraw/zinc/12/64/25/552126425.db2.gz DNGSOUPEUZGEHF-UHFFFAOYSA-N 1 0 375.523 2.653 20 0 GFADRO Cc1nn(Cc2cccc(Br)c2)c(C)c1C(=O)NCC[NH+](C)C ZINC000175865063 552130110 /nfs/dbraw/zinc/13/01/10/552130110.db2.gz HWJOPRUKVRYJJA-UHFFFAOYSA-N 1 0 379.302 2.602 20 0 GFADRO CC[NH+](CC)[C@@H](CNC(=O)N1CC[C@@](O)(C(F)(F)F)C1)c1ccsc1 ZINC000175940209 552132937 /nfs/dbraw/zinc/13/29/37/552132937.db2.gz XBWZUKYSCHOHRD-ZFWWWQNUSA-N 1 0 379.448 2.840 20 0 GFADRO CC[N@H+](CCNC(=O)c1cc(=O)[nH]c2c(Br)cccc12)C1CC1 ZINC000176213984 552136444 /nfs/dbraw/zinc/13/64/44/552136444.db2.gz IPLMZUMBQOUAFQ-UHFFFAOYSA-N 1 0 378.270 2.505 20 0 GFADRO O=C(NC[C@H]1CSCCS1)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000176386937 552139938 /nfs/dbraw/zinc/13/99/38/552139938.db2.gz BOAHTFSQECJUCF-SFHVURJKSA-N 1 0 379.595 2.841 20 0 GFADRO C[N@@H+](Cc1ccc(OC(F)(F)F)cc1)C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000176628405 552142580 /nfs/dbraw/zinc/14/25/80/552142580.db2.gz UNOMOVMEHDTHHQ-CQSZACIVSA-N 1 0 380.432 2.689 20 0 GFADRO C[NH+](C)C1CCN(CCNC(=O)[C@H]2C[C@H]2c2ccc(Br)cc2)CC1 ZINC000177157971 552150667 /nfs/dbraw/zinc/15/06/67/552150667.db2.gz TWURGPIJAUIOGQ-ROUUACIJSA-N 1 0 394.357 2.695 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)c2ccc(F)cc2I)C[N@@H+]1C1CC1 ZINC000177207104 552151665 /nfs/dbraw/zinc/15/16/65/552151665.db2.gz OOARQWHVQNKKIM-MWLCHTKSSA-N 1 0 388.224 2.785 20 0 GFADRO Cc1ccc(C[NH+](C)C)cc1NC(=O)Cn1cc(Br)ccc1=O ZINC000177341748 552153485 /nfs/dbraw/zinc/15/34/85/552153485.db2.gz LKHUKMJBIYOEOE-UHFFFAOYSA-N 1 0 378.270 2.620 20 0 GFADRO OCCCC[NH+]1CCC(Oc2ccccc2I)CC1 ZINC000177454484 552155120 /nfs/dbraw/zinc/15/51/20/552155120.db2.gz LRTRPOHPXVWIGO-UHFFFAOYSA-N 1 0 375.250 2.907 20 0 GFADRO C[C@H]([NH2+]Cc1ccc([S@](C)=O)cc1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000177605695 552155777 /nfs/dbraw/zinc/15/57/77/552155777.db2.gz BNWMZGCUHJXAEZ-BSEYFRJRSA-N 1 0 380.535 2.525 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1cc(=O)[nH]c2c(Br)cccc12 ZINC000177694353 552157055 /nfs/dbraw/zinc/15/70/55/552157055.db2.gz QDEXBRYOUDDGOX-GFCCVEGCSA-N 1 0 392.297 2.847 20 0 GFADRO O=C(Nc1cc(Cl)c(Cl)cc1Cl)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000177691919 552157317 /nfs/dbraw/zinc/15/73/17/552157317.db2.gz DCTJNTNWWNXMIH-VIFPVBQESA-N 1 0 376.671 2.892 20 0 GFADRO CC(C)OCCOC[C@H](O)C[N@H+](C)Cc1cc(F)cc(Br)c1 ZINC000177733052 552158251 /nfs/dbraw/zinc/15/82/51/552158251.db2.gz HXIXTZRYMWSOJR-MRXNPFEDSA-N 1 0 378.282 2.823 20 0 GFADRO Cn1cc(Br)cc(NC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)c1=O ZINC000177980308 552161903 /nfs/dbraw/zinc/16/19/03/552161903.db2.gz YXEJJGGGVLGYKX-ZDUSSCGKSA-N 1 0 387.322 2.636 20 0 GFADRO Cc1c(I)cccc1C(=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000178079650 552163850 /nfs/dbraw/zinc/16/38/50/552163850.db2.gz RCMBLCNPRIQCRQ-UHFFFAOYSA-N 1 0 384.261 2.910 20 0 GFADRO CCS(=O)(=O)N(C)CCC[NH2+][C@@H](C)c1sc(-c2cccnc2)nc1C ZINC000178073005 552163930 /nfs/dbraw/zinc/16/39/30/552163930.db2.gz WENYQGORSIEGFL-ZDUSSCGKSA-N 1 0 382.555 2.836 20 0 GFADRO Cc1cc(N2CCC(NC(=O)c3coc(Br)c3)CC2)nc(C)n1 ZINC000178178771 552166383 /nfs/dbraw/zinc/16/63/83/552166383.db2.gz LNHHRPRAIQZTDG-UHFFFAOYSA-N 1 0 379.258 2.848 20 0 GFADRO COc1cc(OC)c(OC)cc1C[NH2+][C@H](C)Cn1cc(Br)cn1 ZINC000178316671 552169151 /nfs/dbraw/zinc/16/91/51/552169151.db2.gz OVARZRLWAVRLEW-LLVKDONJSA-N 1 0 384.274 2.850 20 0 GFADRO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@@H](C)CN1CCCC1=O ZINC000178489828 552171325 /nfs/dbraw/zinc/17/13/25/552171325.db2.gz AKIVFPFUZUQPNC-OLZOCXBDSA-N 1 0 382.302 2.767 20 0 GFADRO O=C(CCCc1ccccc1Br)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000178776540 552174640 /nfs/dbraw/zinc/17/46/40/552174640.db2.gz BIMGEGABLIXHCK-INIZCTEOSA-N 1 0 395.341 2.953 20 0 GFADRO C[NH+]1CCC(N(CCO)Cc2cnn(-c3ccc(Br)cc3)c2)CC1 ZINC000178873739 552178246 /nfs/dbraw/zinc/17/82/46/552178246.db2.gz MLXQNMBIQHCXKJ-UHFFFAOYSA-N 1 0 393.329 2.523 20 0 GFADRO C[C@H]([NH3+])CCNS(=O)(=O)c1csc(-c2ccc(Br)cc2)n1 ZINC000178914273 552179259 /nfs/dbraw/zinc/17/92/59/552179259.db2.gz IHDOKJWTRLFEBP-VIFPVBQESA-N 1 0 390.328 2.588 20 0 GFADRO Cc1nn(-c2ccc(C(=O)N(C)[C@H]3CC[NH2+]C3)cc2)c(C)c1Br ZINC000179111625 552184421 /nfs/dbraw/zinc/18/44/21/552184421.db2.gz GUZZHODAEFDMEG-HNNXBMFYSA-N 1 0 377.286 2.686 20 0 GFADRO CN(CCOc1ccc(Br)cc1)C(=O)C[N@H+](C)[C@@H]1CCSC1 ZINC000179258766 552188457 /nfs/dbraw/zinc/18/84/57/552188457.db2.gz OWXJEJNBSRXNNK-CQSZACIVSA-N 1 0 387.343 2.724 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+]CC1(O)CCOCC1 ZINC000179302042 552189495 /nfs/dbraw/zinc/18/94/95/552189495.db2.gz OKEUEOFQLHGQPI-UHFFFAOYSA-N 1 0 380.286 2.574 20 0 GFADRO CCCN(C(=O)[C@H](C)[NH2+][C@@H](C)c1cc(C)sc1C)[C@H]1CCS(=O)(=O)C1 ZINC000179374570 552191202 /nfs/dbraw/zinc/19/12/02/552191202.db2.gz NCOPPNRAMVEKMX-DZKIICNBSA-N 1 0 386.583 2.830 20 0 GFADRO CCCN(CC(=O)N(C)C)Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000179553174 552196215 /nfs/dbraw/zinc/19/62/15/552196215.db2.gz PFRPQYKZRTYDTI-UHFFFAOYSA-N 1 0 379.302 2.935 20 0 GFADRO Cc1ccc(Br)c(S(=O)(=O)NCCC[NH+]2CCCCC2)c1 ZINC000179629363 552198386 /nfs/dbraw/zinc/19/83/86/552198386.db2.gz PFMJXHQIHNDVHE-UHFFFAOYSA-N 1 0 375.332 2.912 20 0 GFADRO COc1nc(N2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)ncc1Br ZINC000180434286 552225510 /nfs/dbraw/zinc/22/55/10/552225510.db2.gz OGBMLSLUEQBAMZ-CHWSQXEVSA-N 1 0 399.333 2.573 20 0 GFADRO NC(=O)NC(=O)OCCC[N@@H+]1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000180646892 552232397 /nfs/dbraw/zinc/23/23/97/552232397.db2.gz RFEJTNQCWNDTGW-VIFPVBQESA-N 1 0 380.392 2.536 20 0 GFADRO C[C@H](Cn1cc(Br)cn1)[NH2+]CCCNC(=O)c1ccc(F)cc1 ZINC000180721975 552233892 /nfs/dbraw/zinc/23/38/92/552233892.db2.gz CJSCPNPGOGQODU-GFCCVEGCSA-N 1 0 383.265 2.583 20 0 GFADRO C[C@H]([NH2+]CC1CCN(S(=O)(=O)C(F)F)CC1)c1ccccc1N(C)C ZINC000180792735 552236141 /nfs/dbraw/zinc/23/61/41/552236141.db2.gz GPWPCFYFVQEVNM-ZDUSSCGKSA-N 1 0 375.485 2.668 20 0 GFADRO CCS(=O)(=O)C[C@@H](C)[NH2+][C@H](C)CC(=O)Nc1cccc(Br)c1 ZINC000180824595 552236458 /nfs/dbraw/zinc/23/64/58/552236458.db2.gz JORIHZOGDAKSMR-VXGBXAGGSA-N 1 0 391.331 2.579 20 0 GFADRO CCS(=O)(=O)C[C@H](C)[NH2+][C@H](C)CC(=O)Nc1ccc(Br)cc1 ZINC000180824306 552236476 /nfs/dbraw/zinc/23/64/76/552236476.db2.gz ZZYGOMPDMFIDJV-NEPJUHHUSA-N 1 0 391.331 2.579 20 0 GFADRO C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+]CCCNC(=O)c1cccs1 ZINC000180832104 552237110 /nfs/dbraw/zinc/23/71/10/552237110.db2.gz OFOAJYYRXACEHN-GFCCVEGCSA-N 1 0 380.901 2.923 20 0 GFADRO COc1cc(Br)ccc1C[NH2+]CCC(=O)NCc1cccnc1 ZINC000180919747 552240018 /nfs/dbraw/zinc/24/00/18/552240018.db2.gz AFLWXWYHASZPJN-UHFFFAOYSA-N 1 0 378.270 2.649 20 0 GFADRO Cc1nn(C)c(Cl)c1S(=O)(=O)N1C[C@H]2CCC[N@@H+]2Cc2ccccc21 ZINC000180954519 552241327 /nfs/dbraw/zinc/24/13/27/552241327.db2.gz DSRJFNFKUNBGNC-CQSZACIVSA-N 1 0 380.901 2.555 20 0 GFADRO CS(=O)(=O)CCOCC[NH2+][C@H]1CCSc2ccc(Br)cc21 ZINC000181149016 552248389 /nfs/dbraw/zinc/24/83/89/552248389.db2.gz YFVUPDAXYPAGPI-ZDUSSCGKSA-N 1 0 394.356 2.637 20 0 GFADRO CC(=O)N1CC[C@H](C[N@@H+](C)[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C1 ZINC000181191651 552249824 /nfs/dbraw/zinc/24/98/24/552249824.db2.gz GHBVDVHDEMNAGU-CXAGYDPISA-N 1 0 384.307 2.899 20 0 GFADRO C[C@@H](Cn1cc(Br)cn1)[NH2+]CCc1nnc(-c2ccccc2)o1 ZINC000181560692 552260940 /nfs/dbraw/zinc/26/09/40/552260940.db2.gz OLZSFZHDPNNPNV-LBPRGKRZSA-N 1 0 376.258 2.916 20 0 GFADRO O=S(=O)(C[C@H](O)C[NH2+][C@@H]1CCSc2c(F)cccc21)c1cccs1 ZINC000181634425 552262862 /nfs/dbraw/zinc/26/28/62/552262862.db2.gz XVBDANBIARBWHM-BXUZGUMPSA-N 1 0 387.523 2.849 20 0 GFADRO C[N@@H+]1CCCN(C(=O)Nc2cccc(F)c2I)CC1 ZINC000181638747 552263689 /nfs/dbraw/zinc/26/36/89/552263689.db2.gz YANFARHSZXTTHX-UHFFFAOYSA-N 1 0 377.201 2.600 20 0 GFADRO CN(C)C(=O)CC1CC[NH+](CCC(=O)Nc2cccc(Br)c2)CC1 ZINC000182187686 552277871 /nfs/dbraw/zinc/27/78/71/552277871.db2.gz KXKOJKNQHRKYQW-UHFFFAOYSA-N 1 0 396.329 2.968 20 0 GFADRO CN(C)C(=O)CC1CC[NH+](C[C@@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000182231706 552279141 /nfs/dbraw/zinc/27/91/41/552279141.db2.gz LZOQBXMLQSOEQR-CQSZACIVSA-N 1 0 389.323 2.923 20 0 GFADRO CC(C)(O)C[NH+]1CCN(C(=O)Nc2cc(F)c(Br)c(F)c2)CC1 ZINC000182485774 552285742 /nfs/dbraw/zinc/28/57/42/552285742.db2.gz VAWJUVCIARMNKG-UHFFFAOYSA-N 1 0 392.244 2.648 20 0 GFADRO CS(=O)(=O)NCCC[NH2+][C@H](c1ccco1)c1ccc(Br)cc1 ZINC000182530251 552286581 /nfs/dbraw/zinc/28/65/81/552286581.db2.gz RTEUHEGOCYSGHY-HNNXBMFYSA-N 1 0 387.299 2.660 20 0 GFADRO CS(=O)(=O)[C@H]1CCCC[C@H]1[NH2+]Cc1cc2c(c(Br)c1)OCO2 ZINC000182612154 552289100 /nfs/dbraw/zinc/28/91/00/552289100.db2.gz HBGDAMWPHHTZNQ-OCCSQVGLSA-N 1 0 390.299 2.623 20 0 GFADRO CCC[N@H+](CCc1cc(Cl)c2c(c1)OCCCO2)[C@H]1CCS(=O)(=O)C1 ZINC000182680540 552290547 /nfs/dbraw/zinc/29/05/47/552290547.db2.gz HSBLEJMCFLJPCZ-HNNXBMFYSA-N 1 0 387.929 2.943 20 0 GFADRO C[C@@H](CS(C)(=O)=O)[NH2+]C[C@H](c1ccc(Cl)cc1)N1CCOC(C)(C)C1 ZINC000182809580 552293327 /nfs/dbraw/zinc/29/33/27/552293327.db2.gz BZWKYDLKURKTOO-WMLDXEAASA-N 1 0 388.961 2.515 20 0 GFADRO C[C@H]([NH2+]CC(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O)c1ccc(Cl)s1 ZINC000182962731 552297333 /nfs/dbraw/zinc/29/73/33/552297333.db2.gz SBYPJPRKPFFPNN-VIFPVBQESA-N 1 0 377.853 2.917 20 0 GFADRO CS(=O)(=O)[C@H]1CCCC[C@H]1[NH2+]CCOc1ccc(Br)cc1 ZINC000183193372 552302472 /nfs/dbraw/zinc/30/24/72/552302472.db2.gz UIORJBUICPNJIK-CABCVRRESA-N 1 0 376.316 2.773 20 0 GFADRO CC(C)[C@@H]([NH3+])CCN(C)S(=O)(=O)c1cc(F)c(Br)cc1F ZINC000183193125 552302642 /nfs/dbraw/zinc/30/26/42/552302642.db2.gz UFIJVQNMJMCVER-LBPRGKRZSA-N 1 0 385.274 2.721 20 0 GFADRO Cn1ccnc1[C@@H]([NH2+]CCNC(=O)c1cccc(Br)c1)C1CC1 ZINC000183325749 552306259 /nfs/dbraw/zinc/30/62/59/552306259.db2.gz PLQVWGPQQBOPLV-HNNXBMFYSA-N 1 0 377.286 2.653 20 0 GFADRO CNc1nnc(CC(=O)NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)s1 ZINC000183512131 552311958 /nfs/dbraw/zinc/31/19/58/552311958.db2.gz SYHDNLFBQWQPBI-CQSZACIVSA-N 1 0 379.917 2.729 20 0 GFADRO Cc1nc(C(F)(F)F)c(C[NH2+][C@@H](C)c2ccc(S(N)(=O)=O)cc2)s1 ZINC000183637572 552315236 /nfs/dbraw/zinc/31/52/36/552315236.db2.gz CIXNCIBWBAVIIB-QMMMGPOBSA-N 1 0 379.429 2.969 20 0 GFADRO NC(=O)[C@H]1CCC[N@@H+]1Cc1cccc(NCc2cncc(Br)c2)c1 ZINC000183739331 552317851 /nfs/dbraw/zinc/31/78/51/552317851.db2.gz CCHVWKGFAFNJFF-QGZVFWFLSA-N 1 0 389.297 2.906 20 0 GFADRO C[C@H]([NH2+]Cc1cn(-c2ccc(Cl)c(Cl)c2)nn1)[C@H](C)N1CCOCC1 ZINC000183737123 552318036 /nfs/dbraw/zinc/31/80/36/552318036.db2.gz KWDAWZCWLMFFKS-STQMWFEESA-N 1 0 384.311 2.773 20 0 GFADRO O[C@H](Cn1cccn1)C[NH+]1CCC(Oc2cccc(Br)c2)CC1 ZINC000183824364 552320360 /nfs/dbraw/zinc/32/03/60/552320360.db2.gz MCLLLROHNNVOLS-HNNXBMFYSA-N 1 0 380.286 2.550 20 0 GFADRO C[C@H](CC(=O)OC(C)(C)C)[NH2+]C[C@H](O)COc1ccccc1Br ZINC000183909876 552322965 /nfs/dbraw/zinc/32/29/65/552322965.db2.gz YZOUMHYDHJYMRT-OLZOCXBDSA-N 1 0 388.302 2.899 20 0 GFADRO Cc1c(Br)cccc1C(=O)NC(C)(C)CC[NH+]1CCN(C)CC1 ZINC000184188563 552328982 /nfs/dbraw/zinc/32/89/82/552328982.db2.gz UXJZEOIKRFGOKC-UHFFFAOYSA-N 1 0 382.346 2.903 20 0 GFADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)[C@H](C)Oc1cc(Cl)cc(Cl)c1 ZINC000184363088 552333305 /nfs/dbraw/zinc/33/33/05/552333305.db2.gz AVXABRVPMRVGSC-KGLIPLIRSA-N 1 0 388.339 2.903 20 0 GFADRO O=C(NCC1CC[NH+](CCO)CC1)Nc1ccc(Cl)cc1OC(F)F ZINC000184373200 552333977 /nfs/dbraw/zinc/33/39/77/552333977.db2.gz JRWZRPTULPJVMB-UHFFFAOYSA-N 1 0 377.819 2.767 20 0 GFADRO C[NH+](C)[C@H]1CCCN(C(=O)C(=O)Nc2cc(Cl)cc(C(F)(F)F)c2)C1 ZINC000184932822 552348470 /nfs/dbraw/zinc/34/84/70/552348470.db2.gz OOIKDPSFVIARLP-ZDUSSCGKSA-N 1 0 377.794 2.850 20 0 GFADRO CC[NH+]1CCN([C@H](C)CNC(=O)CCc2ccc(C)cc2Br)CC1 ZINC000185003486 552350964 /nfs/dbraw/zinc/35/09/64/552350964.db2.gz NDPSUMOBOIXZAQ-MRXNPFEDSA-N 1 0 396.373 2.832 20 0 GFADRO [NH3+][C@H]1CC[C@H]2CN(C(=O)c3ccc(I)c(Cl)c3)C[C@H]21 ZINC000185095576 552354059 /nfs/dbraw/zinc/35/40/59/552354059.db2.gz IUNBLQQAHKJOCR-CWSCBRNRSA-N 1 0 390.652 2.754 20 0 GFADRO Cc1c(C(=O)N2C[C@H]3CC[C@@H]([NH3+])[C@@H]3C2)cnn1-c1cccc(Br)c1 ZINC000185194405 552356672 /nfs/dbraw/zinc/35/66/72/552356672.db2.gz DZQJXEBETMAGPA-CSMYWGQOSA-N 1 0 389.297 2.753 20 0 GFADRO CN(CC[N@H+](C)C1CC1)C(=O)NCCC(=O)Nc1ccc(Br)cc1 ZINC000185209154 552357558 /nfs/dbraw/zinc/35/75/58/552357558.db2.gz MVUIIQONRFIWKZ-UHFFFAOYSA-N 1 0 397.317 2.513 20 0 GFADRO C[NH+](C)CC1CCC(NS(=O)(=O)c2ccc(Br)cc2F)CC1 ZINC000185344784 552361813 /nfs/dbraw/zinc/36/18/13/552361813.db2.gz JLVUYGKYMNBIDW-UHFFFAOYSA-N 1 0 393.322 2.987 20 0 GFADRO COc1ccc2c(c1)nc(C[NH2+][C@H](C)Cn1cc(Br)cn1)n2C ZINC000186530888 552390306 /nfs/dbraw/zinc/39/03/06/552390306.db2.gz ZGZGEHIFJVNUCO-LLVKDONJSA-N 1 0 378.274 2.719 20 0 GFADRO CN(CC[N@H+](C)C1CC1)C(=O)c1cnn(-c2cccc(Br)c2)c1 ZINC000186720584 552396003 /nfs/dbraw/zinc/39/60/03/552396003.db2.gz VIMVXOZRKDSJQY-UHFFFAOYSA-N 1 0 377.286 2.801 20 0 GFADRO CN(CC1([NH+](C)C)CCC1)C(=O)c1ccc(F)cc1I ZINC000187026242 552404182 /nfs/dbraw/zinc/40/41/82/552404182.db2.gz QSWRNBKRVXTYAZ-UHFFFAOYSA-N 1 0 390.240 2.987 20 0 GFADRO COc1cnccc1[C@@H](C)[NH2+]C[C@H](O)COc1ccc(Br)cc1 ZINC000187105349 552406366 /nfs/dbraw/zinc/40/63/66/552406366.db2.gz YWKLMWIXAYOYHJ-OCCSQVGLSA-N 1 0 381.270 2.943 20 0 GFADRO Cc1ccc(CC(=O)N2CCC(C[NH+]3CCOCC3)CC2)cc1Br ZINC000187185379 552408632 /nfs/dbraw/zinc/40/86/32/552408632.db2.gz PSFSUIDYOVPMQU-UHFFFAOYSA-N 1 0 395.341 2.871 20 0 GFADRO CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]CCc1cccc(C(N)=O)c1 ZINC000187212540 552409316 /nfs/dbraw/zinc/40/93/16/552409316.db2.gz ZZJUIPBKJCIQPE-UHFFFAOYSA-N 1 0 380.897 2.565 20 0 GFADRO C[NH+](C)CCOc1cc(C(=O)N2Cc3cccc(Br)c3C2)ccn1 ZINC000187381813 552414430 /nfs/dbraw/zinc/41/44/30/552414430.db2.gz ZKYSUPCDQXRZDY-UHFFFAOYSA-N 1 0 390.281 2.941 20 0 GFADRO CSC[C@@](C)(O)C[NH2+]Cc1cc(Br)cc(Br)c1N ZINC000187406243 552414983 /nfs/dbraw/zinc/41/49/83/552414983.db2.gz CNQKTGIMNWIKJM-LBPRGKRZSA-N 1 0 398.164 2.997 20 0 GFADRO CSc1ccccc1S(=O)(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000187397069 552415009 /nfs/dbraw/zinc/41/50/09/552415009.db2.gz VCHPKSFTUAEKPD-UHFFFAOYSA-N 1 0 384.567 2.674 20 0 GFADRO C[C@H](NC(=O)c1c[nH+]ccc1N)c1cc2c(cc1Br)OCCO2 ZINC000187454807 552415977 /nfs/dbraw/zinc/41/59/77/552415977.db2.gz FOPLHNAUIYSYFA-VIFPVBQESA-N 1 0 378.226 2.689 20 0 GFADRO CN(CC1([NH+](C)C)CCC1)C(=O)CCNC(=O)c1ccc(Br)cc1 ZINC000187995774 552430504 /nfs/dbraw/zinc/43/05/04/552430504.db2.gz MESXSHPSVTWILK-UHFFFAOYSA-N 1 0 396.329 2.512 20 0 GFADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)Cc2ccc(F)cc2Br)C1 ZINC000188018895 552431627 /nfs/dbraw/zinc/43/16/27/552431627.db2.gz KARINSKBXXFPBJ-OAHLLOKOSA-N 1 0 387.293 2.604 20 0 GFADRO Cc1cc(Br)cc(NC(=O)C(=O)NC[C@@H](C)C[NH+]2CCCCC2)c1 ZINC000188077136 552433941 /nfs/dbraw/zinc/43/39/41/552433941.db2.gz RLNZEIGODYTZKP-CQSZACIVSA-N 1 0 396.329 2.934 20 0 GFADRO CCS(=O)(=O)NCC[NH2+][C@@H](CC1CC1)c1cc(F)cc(Br)c1 ZINC000188189314 552438694 /nfs/dbraw/zinc/43/86/94/552438694.db2.gz YXCFFNRFLIKPJO-HNNXBMFYSA-N 1 0 393.322 2.958 20 0 GFADRO CC[NH+](CC)CCCSc1nnc(N2CCOCC2)n1CC(F)(F)F ZINC000188306377 552441754 /nfs/dbraw/zinc/44/17/54/552441754.db2.gz BCRHJITUWTZVCH-UHFFFAOYSA-N 1 0 381.468 2.501 20 0 GFADRO O=C1CNC(=O)N1CC[NH2+][C@@H](c1ccc(Br)cc1Cl)C1CC1 ZINC000188460497 552445696 /nfs/dbraw/zinc/44/56/96/552445696.db2.gz CPNRVNQLCZQDAI-CQSZACIVSA-N 1 0 386.677 2.695 20 0 GFADRO C[C@@H](CS(=O)(=O)c1ccccc1)[NH2+]CC1CCN(CC(F)(F)F)CC1 ZINC000188517551 552447084 /nfs/dbraw/zinc/44/70/84/552447084.db2.gz PIDQEHHIGZECCM-AWEZNQCLSA-N 1 0 378.460 2.713 20 0 GFADRO CC(C)OCC[NH+]1CCC(NC(=O)Nc2cccc(Br)n2)CC1 ZINC000188593280 552449671 /nfs/dbraw/zinc/44/96/71/552449671.db2.gz BIFDRUNKSCEFNO-UHFFFAOYSA-N 1 0 385.306 2.855 20 0 GFADRO O=C(c1cn(-c2ccc(Br)cc2)cn1)N1CC[NH+]2CCC1CC2 ZINC000188628080 552450340 /nfs/dbraw/zinc/45/03/40/552450340.db2.gz LJHWCBPWYFAZFG-UHFFFAOYSA-N 1 0 375.270 2.555 20 0 GFADRO C[C@@H](Oc1ccccc1Br)C(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000188635111 552450859 /nfs/dbraw/zinc/45/08/59/552450859.db2.gz OXFIXVDYGJNFDL-UONOGXRCSA-N 1 0 399.329 2.520 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CNC(=O)c1scc(C)c1I ZINC000188659981 552451390 /nfs/dbraw/zinc/45/13/90/552451390.db2.gz UZPBGTUMLNGTOX-JTQLQIEISA-N 1 0 378.279 2.875 20 0 GFADRO Cc1n[nH]cc1CNc1ccc(CN2CC[NH+](C)CC2)c(Br)c1 ZINC000188883652 552457381 /nfs/dbraw/zinc/45/73/81/552457381.db2.gz KFENRBBCWDBZFQ-UHFFFAOYSA-N 1 0 378.318 2.840 20 0 GFADRO Cc1ccc(CN2CC[C@@H]([NH2+][C@@H](C)Cn3cc(Br)cn3)C2=O)cc1 ZINC000189081872 552462399 /nfs/dbraw/zinc/46/23/99/552462399.db2.gz QOMAZBKRESRYLQ-WMLDXEAASA-N 1 0 391.313 2.733 20 0 GFADRO O=C(Nc1ccc(Br)cn1)[C@H]1CCC[N@@H+](CCOCC(F)F)C1 ZINC000189608342 552475795 /nfs/dbraw/zinc/47/57/95/552475795.db2.gz ADZNVYYHNISOED-NSHDSACASA-N 1 0 392.244 2.776 20 0 GFADRO O=C(Nc1cc(Cl)cc(C(F)(F)F)c1)C(=O)N1CC[NH+]2CCC1CC2 ZINC000189784003 552479669 /nfs/dbraw/zinc/47/96/69/552479669.db2.gz BKKKZKUXDYTEOA-UHFFFAOYSA-N 1 0 375.778 2.604 20 0 GFADRO CCNS(=O)(=O)[C@H]1CCN(Cc2ccc(Br)c(Cl)c2)C1 ZINC000189808156 552480395 /nfs/dbraw/zinc/48/03/95/552480395.db2.gz JYRJEHOPDZIJJP-NSHDSACASA-N 1 0 381.723 2.616 20 0 GFADRO CCO[C@@H]1C[C@](CO)([NH2+]C[C@H](O)COc2c(Cl)cccc2Cl)C1(C)C ZINC000189996405 552484959 /nfs/dbraw/zinc/48/49/59/552484959.db2.gz YHZVFDBVRIDDND-WBHUJUFNSA-N 1 0 392.323 2.889 20 0 GFADRO Cc1cc(Br)c(F)cc1NC(=O)C(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000190090963 552487194 /nfs/dbraw/zinc/48/71/94/552487194.db2.gz SSAQGWBGEBUHGI-NWDGAFQWSA-N 1 0 398.276 2.530 20 0 GFADRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)Nc1cc(Br)ccc1F ZINC000190189798 552489670 /nfs/dbraw/zinc/48/96/70/552489670.db2.gz ZLONNWYIXBHUKV-LLVKDONJSA-N 1 0 388.281 2.897 20 0 GFADRO C[N@H+](Cc1ccnc(-c2ccc(Br)cc2)n1)C1(CO)CCOCC1 ZINC000190992393 552515937 /nfs/dbraw/zinc/51/59/37/552515937.db2.gz GIKCCJWKQHIQSQ-UHFFFAOYSA-N 1 0 392.297 2.879 20 0 GFADRO C[N@H+](Cc1cc2c(cc1Br)OCCCO2)C1(CO)CCOCC1 ZINC000190983719 552515944 /nfs/dbraw/zinc/51/59/44/552515944.db2.gz AKWXUTGJAZFEDO-UHFFFAOYSA-N 1 0 386.286 2.584 20 0 GFADRO CN(C)C(=O)[C@@H]1CC[C@@H](C[NH2+]Cc2cc(Br)c(Cl)s2)O1 ZINC000191554223 552531566 /nfs/dbraw/zinc/53/15/66/552531566.db2.gz ZPZJQPGUBRFJOW-KWQFWETISA-N 1 0 381.723 2.889 20 0 GFADRO CCN(CCC[NH+](C)C)C(=O)Nc1cc(Br)cnc1-n1cccn1 ZINC000191648976 552534196 /nfs/dbraw/zinc/53/41/96/552534196.db2.gz SLLIIEDRZDQSLJ-UHFFFAOYSA-N 1 0 395.305 2.835 20 0 GFADRO Cn1nc(Br)cc1C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000191885984 552541162 /nfs/dbraw/zinc/54/11/62/552541162.db2.gz VLNMOCOUXVCGIJ-HNNXBMFYSA-N 1 0 377.286 2.750 20 0 GFADRO C[C@H]([NH3+])[C@H](C)C(=O)N1CCC(C(=O)Nc2ccccc2Br)CC1 ZINC000192034235 552546780 /nfs/dbraw/zinc/54/67/80/552546780.db2.gz CCJVSCHMKXLKMF-RYUDHWBXSA-N 1 0 382.302 2.610 20 0 GFADRO C[NH+]1CCN(c2ccc(NC(=O)c3cccc(Br)c3F)cn2)CC1 ZINC000192106350 552551015 /nfs/dbraw/zinc/55/10/15/552551015.db2.gz JJPZWYABFYUGLZ-UHFFFAOYSA-N 1 0 393.260 2.987 20 0 GFADRO COCCC[N@H+](C)CCNC(=O)c1cc(Br)c(Cl)cc1OC ZINC000192135206 552552559 /nfs/dbraw/zinc/55/25/59/552552559.db2.gz VKGLAVYLROFPLL-UHFFFAOYSA-N 1 0 393.709 2.809 20 0 GFADRO COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C)C[C@H]1C ZINC000192193803 552555359 /nfs/dbraw/zinc/55/53/59/552555359.db2.gz TWCAIASEXWFULA-YGRLFVJLSA-N 1 0 388.295 2.739 20 0 GFADRO CS(=O)(=O)N[C@@H]1CCC[C@@H]1C[NH2+]Cc1ccc(Br)c(Cl)c1 ZINC000192197876 552555835 /nfs/dbraw/zinc/55/58/35/552555835.db2.gz JXEMXMOZIMGPAB-BXUZGUMPSA-N 1 0 395.750 2.910 20 0 GFADRO C[NH+](C)C[C@@H]1CCN(S(=O)(=O)c2ccc(Cl)c(Br)c2)C1 ZINC000192208588 552556326 /nfs/dbraw/zinc/55/63/26/552556326.db2.gz LSYIBGASBDDYAX-JTQLQIEISA-N 1 0 381.723 2.675 20 0 GFADRO COC(=O)c1cccc(NC(=O)N2CCC([NH+](C)C)CC2)c1Br ZINC000192425160 552563154 /nfs/dbraw/zinc/56/31/54/552563154.db2.gz YVSYNGIPKOOVBO-UHFFFAOYSA-N 1 0 384.274 2.794 20 0 GFADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N(C)c1ccc(C)c(Cl)c1 ZINC000192643703 552568234 /nfs/dbraw/zinc/56/82/34/552568234.db2.gz IZAZUAYESAQELW-UHFFFAOYSA-N 1 0 384.933 2.848 20 0 GFADRO CC[C@@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1cc(OC)c(OC)cc1Cl ZINC000192819227 552974440 /nfs/dbraw/zinc/97/44/40/552974440.db2.gz DPJFVMNPRUFUQX-CYBMUJFWSA-N 1 0 390.933 2.900 20 0 GFADRO Cc1cc(NC(=O)C(=O)NCCC[NH+]2CCCCC2)ccc1Br ZINC000192843785 552975687 /nfs/dbraw/zinc/97/56/87/552975687.db2.gz UOVBFCYARJJJOS-UHFFFAOYSA-N 1 0 382.302 2.688 20 0 GFADRO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)Nc1cc2c(cc1Br)CCC2 ZINC000192920571 552978087 /nfs/dbraw/zinc/97/80/87/552978087.db2.gz SZLJYOPVDRKNPD-GFCCVEGCSA-N 1 0 396.329 2.723 20 0 GFADRO CC1(NC(=O)CCC[S@@](=O)c2ccc(Br)cc2)CC[NH2+]CC1 ZINC000193364282 552991170 /nfs/dbraw/zinc/99/11/70/552991170.db2.gz IVWRBVGPXDHAJE-JOCHJYFZSA-N 1 0 387.343 2.595 20 0 GFADRO O[C@H](COc1ccc(Br)cc1)C[N@@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000193692728 553000494 /nfs/dbraw/zinc/00/04/94/553000494.db2.gz XXMLJBQUXKBBML-ZFWWWQNUSA-N 1 0 380.286 2.792 20 0 GFADRO C[C@H]([NH2+]Cc1ccc(C(=O)NCC(N)=O)cc1)c1cc(Br)cs1 ZINC000193978415 553008584 /nfs/dbraw/zinc/00/85/84/553008584.db2.gz HIEOPNYXIGTGGT-JTQLQIEISA-N 1 0 396.310 2.577 20 0 GFADRO O=C([C@@H]1Cc2cc(Br)ccc2O1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000194205146 553014244 /nfs/dbraw/zinc/01/42/44/553014244.db2.gz KFAJDUASVYMTQY-WBVHZDCISA-N 1 0 379.298 2.839 20 0 GFADRO C[NH+](C)C[C@@H]1CCCCN1C(=O)Cc1cc2c(cc1Br)OCCO2 ZINC000194684267 553026791 /nfs/dbraw/zinc/02/67/91/553026791.db2.gz HSBWOJHYJGGPGC-AWEZNQCLSA-N 1 0 397.313 2.706 20 0 GFADRO [NH3+]CCc1nc(C(=O)NCC2(c3cccc(Br)c3)CC2)cs1 ZINC000194805364 553030227 /nfs/dbraw/zinc/03/02/27/553030227.db2.gz PACWAVKYQNIKRP-UHFFFAOYSA-N 1 0 380.311 2.868 20 0 GFADRO C[NH+]1CCN(c2ccc(Cl)cc2NC(=O)c2ccc(C(N)=O)s2)CC1 ZINC000195146623 553039274 /nfs/dbraw/zinc/03/92/74/553039274.db2.gz KVCIONVTMWYJRA-UHFFFAOYSA-N 1 0 378.885 2.505 20 0 GFADRO C[C@H]1C[NH+](CCCNC(=O)NCc2sccc2Br)C[C@H](C)O1 ZINC000195205646 553041248 /nfs/dbraw/zinc/04/12/48/553041248.db2.gz AQJAETQMYNOOQK-RYUDHWBXSA-N 1 0 390.347 2.809 20 0 GFADRO O=S(=O)(CCc1cccs1)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000195369113 553046629 /nfs/dbraw/zinc/04/66/29/553046629.db2.gz PXBGYSYXDUVPIO-GOSISDBHSA-N 1 0 378.563 2.775 20 0 GFADRO COCC[NH+]1CCC(NC(=O)Nc2cc(OC)ccc2Br)CC1 ZINC000195458221 553049213 /nfs/dbraw/zinc/04/92/13/553049213.db2.gz UQYWYUQIOIHKGI-UHFFFAOYSA-N 1 0 386.290 2.690 20 0 GFADRO CCOC1CC(C[NH2+]Cc2cc(Br)cs2)(N2CCOCC2)C1 ZINC000195459888 553049435 /nfs/dbraw/zinc/04/94/35/553049435.db2.gz BUUJWANTTBVOOH-UHFFFAOYSA-N 1 0 389.359 2.870 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CN(Cc2ccc(Br)c(Br)c2)CCO1 ZINC000220328699 553054934 /nfs/dbraw/zinc/05/49/34/553054934.db2.gz PCWDZYOJMSYUMY-ZANVPECISA-N 1 0 378.108 2.760 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)c1ccc(F)cc1I ZINC000226194096 553060708 /nfs/dbraw/zinc/06/07/08/553060708.db2.gz BKTPPGNDRXBIPK-RNCFNFMXSA-N 1 0 376.213 2.772 20 0 GFADRO C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)c1cc(Cl)ccc1I ZINC000227288739 553062877 /nfs/dbraw/zinc/06/28/77/553062877.db2.gz PQMNDPMOLVLVLT-SCZZXKLOSA-N 1 0 378.641 2.896 20 0 GFADRO O=C(N[C@@H]1CCC[NH2+]CC1)c1cc(Cl)ccc1I ZINC000232231450 553066318 /nfs/dbraw/zinc/06/63/18/553066318.db2.gz AYSJQWHVWIBRNV-SNVBAGLBSA-N 1 0 378.641 2.817 20 0 GFADRO CC1(C)CCC[NH2+][C@H]1CNS(=O)(=O)c1ccc(F)cc1Br ZINC000232985407 553067227 /nfs/dbraw/zinc/06/72/27/553067227.db2.gz QBTGCPJYKLRVPP-ZDUSSCGKSA-N 1 0 379.295 2.645 20 0 GFADRO CC[C@H](C)[NH+]1CCN(C(=O)c2ccc(I)c(O)c2)CC1 ZINC000234028089 553067532 /nfs/dbraw/zinc/06/75/32/553067532.db2.gz BKYGCDCLMMANNU-NSHDSACASA-N 1 0 388.249 2.553 20 0 GFADRO [NH3+][C@@H]1CCC[C@H]2CN(S(=O)(=O)c3ccc(Cl)c(Br)c3)C[C@@H]21 ZINC000236294481 553068384 /nfs/dbraw/zinc/06/83/84/553068384.db2.gz LBTPLVJBVBCSJM-NURSFMCSSA-N 1 0 393.734 2.850 20 0 GFADRO CC(=O)N[C@@H](CC(=O)N[C@@H](C[NH3+])CC(C)C)c1ccc(Br)cc1 ZINC000236579245 553069297 /nfs/dbraw/zinc/06/92/97/553069297.db2.gz QPOBPARSXAWXRQ-CVEARBPZSA-N 1 0 384.318 2.506 20 0 GFADRO O=C(N[C@@H]1CCN(c2ccc(Br)cc2)C1)[C@@H]1CC12CC[NH2+]CC2 ZINC000236609636 553069936 /nfs/dbraw/zinc/06/99/36/553069936.db2.gz GQRULGZRGSFGPE-ZBFHGGJFSA-N 1 0 378.314 2.534 20 0 GFADRO O=C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccn(-c2cccc(Br)c2)n1 ZINC000236676432 553070260 /nfs/dbraw/zinc/07/02/60/553070260.db2.gz OJYGDKFOTSRWER-PBWFPOADSA-N 1 0 375.270 2.648 20 0 GFADRO CC(C)C[C@](C)(C[NH3+])NC(=O)COc1ccc(I)cc1 ZINC000236683499 553070308 /nfs/dbraw/zinc/07/03/08/553070308.db2.gz WESBRPCZTHPYIK-OAHLLOKOSA-N 1 0 390.265 2.550 20 0 GFADRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)c1ccc(I)c(F)c1 ZINC000236775227 553070938 /nfs/dbraw/zinc/07/09/38/553070938.db2.gz FQPHGYQFWRBXSL-ZDUSSCGKSA-N 1 0 378.229 2.876 20 0 GFADRO CC(C)[NH2+]CCC(=O)Nc1nc(-c2ccc(NS(C)(=O)=O)cc2)cs1 ZINC000236709745 553071201 /nfs/dbraw/zinc/07/12/01/553071201.db2.gz KPHFCQAIODHXBE-UHFFFAOYSA-N 1 0 382.511 2.508 20 0 GFADRO CCOc1ccc(S(=O)(=O)N(C)CC[C@H]([NH3+])C(C)C)cc1Br ZINC000236872499 553072299 /nfs/dbraw/zinc/07/22/99/553072299.db2.gz DPEAYRCWFDDXGU-AWEZNQCLSA-N 1 0 393.347 2.842 20 0 GFADRO CCOc1cc(Br)c(CC(=O)N2CCC([NH3+])CC2)cc1OCC ZINC000236878311 553072467 /nfs/dbraw/zinc/07/24/67/553072467.db2.gz HGGYEHUNGOHBGB-UHFFFAOYSA-N 1 0 385.302 2.739 20 0 GFADRO CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)C[NH2+]C[C@H]1CCCO1 ZINC000236901572 553072997 /nfs/dbraw/zinc/07/29/97/553072997.db2.gz QAOJWGGDFWBCLR-GFCCVEGCSA-N 1 0 388.295 2.549 20 0 GFADRO CCc1c(C(=O)NC[C@@H]2CCC[NH2+]C2)cnn1-c1ccc(Br)cc1 ZINC000237104597 553074683 /nfs/dbraw/zinc/07/46/83/553074683.db2.gz IVBOEOPOEOSFKK-CYBMUJFWSA-N 1 0 391.313 2.927 20 0 GFADRO CN(Cc1cscn1)Cc1cccc(NC(=O)C[C@@H]2CSCC[NH2+]2)c1 ZINC000237229626 553075930 /nfs/dbraw/zinc/07/59/30/553075930.db2.gz SJOBVKDEEZDOHM-MRXNPFEDSA-N 1 0 376.551 2.809 20 0 GFADRO C[NH2+]C[C@H]1CCCN1C(=O)c1cc(C)n(-c2ccc(Br)cc2)n1 ZINC000237259280 553076407 /nfs/dbraw/zinc/07/64/07/553076407.db2.gz IPGOSHRPVVCAJW-OAHLLOKOSA-N 1 0 377.286 2.767 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)/C=C/c2cc(Br)c3c(c2)OCCO3)C1 ZINC000237441281 553077690 /nfs/dbraw/zinc/07/76/90/553077690.db2.gz RIDLCCLLTQAKIW-ZWYFHCDOSA-N 1 0 395.297 2.819 20 0 GFADRO C[C@H](NC(=O)CC1CC[NH2+]CC1)c1cc2c(cc1Br)OCCO2 ZINC000237580707 553079352 /nfs/dbraw/zinc/07/93/52/553079352.db2.gz PCEYKFQRTDZXKG-NSHDSACASA-N 1 0 383.286 2.787 20 0 GFADRO O=C(CC1CC[NH2+]CC1)Nc1cc(F)c(I)c(F)c1 ZINC000237712112 553081046 /nfs/dbraw/zinc/08/10/46/553081046.db2.gz ACYIYXJKCIPAHL-UHFFFAOYSA-N 1 0 380.176 2.898 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000237785911 553081806 /nfs/dbraw/zinc/08/18/06/553081806.db2.gz VLFMIRRNMSEINT-OCCSQVGLSA-N 1 0 382.302 2.720 20 0 GFADRO O=C(NCC[NH2+]C1CC1)c1cc(I)cc(C(F)(F)F)c1 ZINC000237827078 553082786 /nfs/dbraw/zinc/08/27/86/553082786.db2.gz SYMGDLKTMMAYPR-UHFFFAOYSA-N 1 0 398.166 2.792 20 0 GFADRO [NH3+][C@H]1CC[C@@H](C(=O)NC2CCN(Cc3ccc(Br)cc3)CC2)C1 ZINC000237864882 553083641 /nfs/dbraw/zinc/08/36/41/553083641.db2.gz JPNYNXHIRSKNPS-ZBFHGGJFSA-N 1 0 380.330 2.657 20 0 GFADRO [NH3+][C@H]1CCC[C@H](C(=O)NCCc2ccc(I)s2)C1 ZINC000237915151 553083924 /nfs/dbraw/zinc/08/39/24/553083924.db2.gz YBLGGHQXLAIWOJ-UWVGGRQHSA-N 1 0 378.279 2.529 20 0 GFADRO [NH3+]CC1(C(=O)NC[C@@H]2CCN(c3cccc(Br)c3)C2)CCCC1 ZINC000238054094 553085470 /nfs/dbraw/zinc/08/54/70/553085470.db2.gz OIFAZPMIHQAUAU-AWEZNQCLSA-N 1 0 380.330 2.911 20 0 GFADRO [NH3+]C[C@@H]1CCCN(C(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CCCC2)C1 ZINC000238068145 553085840 /nfs/dbraw/zinc/08/58/40/553085840.db2.gz CDHJUSUGJURVPM-AWEZNQCLSA-N 1 0 384.929 2.624 20 0 GFADRO CC[C@H](C)[N@H+](C)CCNC(=O)[C@H]1CCN(c2ccccc2Br)C1=O ZINC000245392310 553089459 /nfs/dbraw/zinc/08/94/59/553089459.db2.gz ASFFSHLBJMGCMQ-UONOGXRCSA-N 1 0 396.329 2.649 20 0 GFADRO Cc1ccc(Br)c(S(=O)(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)c1 ZINC000245672733 553095117 /nfs/dbraw/zinc/09/51/17/553095117.db2.gz DGMBYOVPVXLICF-DZGCQCFKSA-N 1 0 387.343 2.862 20 0 GFADRO O=C(NC[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1)c1ccc(Br)cc1 ZINC000245851907 553098614 /nfs/dbraw/zinc/09/86/14/553098614.db2.gz JLQUBSXSLKEPOH-ZWKOTPCHSA-N 1 0 389.293 2.814 20 0 GFADRO O=C(C[N@H+](C[C@@H]1CCCO1)[C@H]1CCSC1)N1CCC[C@H](C(F)(F)F)C1 ZINC000245991587 553100392 /nfs/dbraw/zinc/10/03/92/553100392.db2.gz WZANINHMSQIUTL-KKUMJFAQSA-N 1 0 380.476 2.774 20 0 GFADRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1ccc(F)c(I)c1 ZINC000246106512 553102450 /nfs/dbraw/zinc/10/24/50/553102450.db2.gz WZTAWXWQZLXJCD-IINYFYTJSA-N 1 0 390.240 2.843 20 0 GFADRO C[C@H](CS(C)(=O)=O)N(C[C@@H](O)CO[C@@H](C)c1ccc(Cl)cc1)C1CC1 ZINC000246756264 553112591 /nfs/dbraw/zinc/11/25/91/553112591.db2.gz AKIFMSNDEJAWAY-QWQRMKEZSA-N 1 0 389.945 2.676 20 0 GFADRO CC(=O)N1CC[C@H](C[N@@H+](C)[C@@H](C)C(=O)Nc2ccc(C)cc2Br)C1 ZINC000246800844 553113407 /nfs/dbraw/zinc/11/34/07/553113407.db2.gz PQDGLIRUHPSSQA-DZGCQCFKSA-N 1 0 396.329 2.885 20 0 GFADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)C[C@@H]2Sc3ccc(Cl)cc3NC2=O)C1 ZINC000246876840 553114832 /nfs/dbraw/zinc/11/48/32/553114832.db2.gz IFQAYCIRQGREOB-LRDDRELGSA-N 1 0 381.929 2.943 20 0 GFADRO C[C@H](O)C[N@@H+]1CCN(CC(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)C[C@@H]1C ZINC000246945611 553115958 /nfs/dbraw/zinc/11/59/58/553115958.db2.gz BDHNVRJYYZREEQ-IHRRRGAJSA-N 1 0 388.339 2.558 20 0 GFADRO C[C@H](C(=O)N1CCc2sccc2C1)N(C)Cc1ccc([S@@](C)=O)cc1 ZINC000246917439 553116075 /nfs/dbraw/zinc/11/60/75/553116075.db2.gz GKAXRCWKCMAGSD-DLUDVSRJSA-N 1 0 376.547 2.891 20 0 GFADRO COC(=O)CSCCC(=O)N[C@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000246997554 553117254 /nfs/dbraw/zinc/11/72/54/553117254.db2.gz UCOCAZLAPCYEJH-WMLDXEAASA-N 1 0 388.892 2.637 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)[C@H]2CC(=O)N(c3cc(Cl)cc(Cl)c3)C2)C1 ZINC000247309159 553120788 /nfs/dbraw/zinc/12/07/88/553120788.db2.gz QPBFVUIQFRQNES-AVGNSLFASA-N 1 0 384.307 2.932 20 0 GFADRO NC(=O)[C@H]([NH2+][C@H]1CCN(c2ccccc2Br)C1)c1ccc(F)cc1 ZINC000247486000 553122956 /nfs/dbraw/zinc/12/29/56/553122956.db2.gz KRIVZDYSMIITIM-WMLDXEAASA-N 1 0 392.272 2.983 20 0 GFADRO COCCOC[C@@H]1CC[N@H+](CC(=O)N[C@H](C)c2ccc(Br)cc2)C1 ZINC000247640746 553124588 /nfs/dbraw/zinc/12/45/88/553124588.db2.gz SVVWRVVUGVIYJM-HUUCEWRRSA-N 1 0 399.329 2.611 20 0 GFADRO C[N@H+](CCCO)C1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(Br)cc2)CC1 ZINC000247920937 553126574 /nfs/dbraw/zinc/12/65/74/553126574.db2.gz BRYNMHAHUSVGBP-ZWKOTPCHSA-N 1 0 395.341 2.858 20 0 GFADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@H]3COc4ccc(Br)cc43)CC[C@@H]21 ZINC000248146653 553127738 /nfs/dbraw/zinc/12/77/38/553127738.db2.gz ZUMRPFMGBVIQPE-KCXAZCMYSA-N 1 0 379.298 2.868 20 0 GFADRO COc1ccc(C(=O)N2CCC3CCC(C2)[N@@H+]3C(C)C)nc1Br ZINC000248430367 553129207 /nfs/dbraw/zinc/12/92/07/553129207.db2.gz BRDKVGMPXFHEPK-OLZOCXBDSA-N 1 0 382.302 2.940 20 0 GFADRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)[C@@H]3CCN(c4cc(Cl)ccc4Cl)C3=O)C[C@@H]12 ZINC000248699101 553133130 /nfs/dbraw/zinc/13/31/30/553133130.db2.gz ZHDKBTOPHTVVRZ-CQROYNQRSA-N 1 0 382.291 2.542 20 0 GFADRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)Cc1ccc(I)cc1 ZINC000249100202 553139147 /nfs/dbraw/zinc/13/91/47/553139147.db2.gz UOTGQPLPLLHXFS-IUODEOHRSA-N 1 0 386.277 2.632 20 0 GFADRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2ncccc2Br)[C@@H](C)C1 ZINC000249118771 553139526 /nfs/dbraw/zinc/13/95/26/553139526.db2.gz SXARORLWNWYJPZ-DZGCQCFKSA-N 1 0 384.318 2.711 20 0 GFADRO C[N@@H+]1[C@H]2CC[C@H]1CN(Cc1ccc(Br)cc1N1CCOCC1)CC2 ZINC000249153105 553140570 /nfs/dbraw/zinc/14/05/70/553140570.db2.gz YCIRBLPCZGNJEX-ROUUACIJSA-N 1 0 394.357 2.954 20 0 GFADRO C[C@@H](C(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1)c1ccc(Br)cc1 ZINC000249347205 553142319 /nfs/dbraw/zinc/14/23/19/553142319.db2.gz JXARLJCQPPJFFT-UONOGXRCSA-N 1 0 383.330 2.856 20 0 GFADRO CCCN([C@H]1CC[NH2+]C1)S(=O)(=O)c1cc(Cl)ccc1O[C@H](C)COC ZINC000249555305 553144407 /nfs/dbraw/zinc/14/44/07/553144407.db2.gz LUTRCJHUIOGNIU-HIFRSBDPSA-N 1 0 390.933 2.516 20 0 GFADRO C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)N1CCC[C@@H]([NH+](C)C)C1 ZINC000252442709 553149553 /nfs/dbraw/zinc/14/95/53/553149553.db2.gz BAROCVARQRYBPR-WMLDXEAASA-N 1 0 382.346 2.822 20 0 GFADRO O=S(=O)(NC[C@@H]1[NH2+]CCc2ccccc21)c1ccc(Br)s1 ZINC000261655379 553155369 /nfs/dbraw/zinc/15/53/69/553155369.db2.gz KCXAWQFWWZCZBX-LBPRGKRZSA-N 1 0 387.324 2.676 20 0 GFADRO Clc1cccc([C@@H]2C[NH2+]CCN2Cc2cnc(N3CCOCC3)s2)c1 ZINC000261660853 553156157 /nfs/dbraw/zinc/15/61/57/553156157.db2.gz IFWWVUJSLFWKSN-KRWDZBQOSA-N 1 0 378.929 2.780 20 0 GFADRO COCC1(CNC(=O)CSc2cccc(C(F)(F)F)c2)CC[NH2+]CC1 ZINC000261706234 553156418 /nfs/dbraw/zinc/15/64/18/553156418.db2.gz KDWBPFLEXWLELI-UHFFFAOYSA-N 1 0 376.444 2.930 20 0 GFADRO C[NH2+][C@@H](C)Cc1noc([C@@H]2CC(=O)N(c3ccccc3Br)C2)n1 ZINC000261763209 553158696 /nfs/dbraw/zinc/15/86/96/553158696.db2.gz MNSWPQOILSPNDO-WDEREUQCSA-N 1 0 379.258 2.503 20 0 GFADRO C[C@@H](CNC(=O)[C@H]([NH3+])C1CCOCC1)Sc1ccc(Br)cc1 ZINC000261805667 553159854 /nfs/dbraw/zinc/15/98/54/553159854.db2.gz OKXBDMVTMGEGNW-XHDPSFHLSA-N 1 0 387.343 2.800 20 0 GFADRO CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)NCc1cc(F)ccc1Br ZINC000261814986 553159896 /nfs/dbraw/zinc/15/98/96/553159896.db2.gz GVIFNRRVDJBPCT-QEORTHHSSA-N 1 0 385.277 2.737 20 0 GFADRO CC1(C)CN(C(=O)[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)CC[C@H]1[NH3+] ZINC000261838307 553160439 /nfs/dbraw/zinc/16/04/39/553160439.db2.gz LMRJFBMBRKQBJW-SWLSCSKDSA-N 1 0 384.307 2.932 20 0 GFADRO Cn1nccc1C1CCN(C(=O)[C@](C)([NH3+])c2ccc(Br)cc2)CC1 ZINC000261825955 553160627 /nfs/dbraw/zinc/16/06/27/553160627.db2.gz TUCCLQXRVBTCPO-GOSISDBHSA-N 1 0 391.313 2.763 20 0 GFADRO COc1ccc(Br)cc1C(=O)CCc1nc(C2([NH3+])CCC2)no1 ZINC000261851119 553160907 /nfs/dbraw/zinc/16/09/07/553160907.db2.gz SUKDOVYBXHWKOA-UHFFFAOYSA-N 1 0 380.242 2.994 20 0 GFADRO C[C@@]([NH3+])(C(=O)N1CCO[C@H](c2nccs2)C1)c1ccc(Br)cc1 ZINC000261846709 553161085 /nfs/dbraw/zinc/16/10/85/553161085.db2.gz VKFYDHMCTQSEOO-BBRMVZONSA-N 1 0 396.310 2.680 20 0 GFADRO [NH3+]C1(c2noc([C@@H]3CCN(c4ccccc4Br)C3=O)n2)CCC1 ZINC000261844316 553161266 /nfs/dbraw/zinc/16/12/66/553161266.db2.gz SFYSFSDFLKLLDV-JTQLQIEISA-N 1 0 377.242 2.691 20 0 GFADRO CC1(C)[C@@H]2OCCC[C@H]2[C@@]1([NH3+])C(=O)NCCc1ccc(Br)cc1 ZINC000261851393 553161323 /nfs/dbraw/zinc/16/13/23/553161323.db2.gz JKPWADQBFKRDEN-IIDMSEBBSA-N 1 0 381.314 2.640 20 0 GFADRO C[C@@H]1CCN(C(=O)c2ccc(I)c(F)c2)[C@H](C[NH3+])C1 ZINC000261863401 553161357 /nfs/dbraw/zinc/16/13/57/553161357.db2.gz RNMPPEPAMZIEJT-KOLCDFICSA-N 1 0 376.213 2.630 20 0 GFADRO [NH3+]C[C@H]1CC[C@@H](C(=O)Nc2nc3ccc(OCC(F)(F)F)cc3s2)O1 ZINC000261874267 553161543 /nfs/dbraw/zinc/16/15/43/553161543.db2.gz TZSISJBENOXJHK-KOLCDFICSA-N 1 0 375.372 2.682 20 0 GFADRO O=C(NC[C@H]1CCN(c2cccc(Br)c2)C1)[C@H]1CC12CC[NH2+]CC2 ZINC000261968146 553163244 /nfs/dbraw/zinc/16/32/44/553163244.db2.gz SYWFEPIMMSLHOZ-RHSMWYFYSA-N 1 0 392.341 2.781 20 0 GFADRO C[NH2+]CCC1CCN(C(=O)c2cc(Br)c3c(c2)OCCO3)CC1 ZINC000262010731 553163959 /nfs/dbraw/zinc/16/39/59/553163959.db2.gz HKMYGNVINYFTIV-UHFFFAOYSA-N 1 0 383.286 2.682 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H]2CN(S(=O)(=O)c3cccc(Br)c3Cl)C[C@@H]21 ZINC000262055998 553165309 /nfs/dbraw/zinc/16/53/09/553165309.db2.gz NGMSKOZTPQVVHB-JFGNBEQYSA-N 1 0 393.734 2.850 20 0 GFADRO C[C@@H]1CCCN(S(=O)(=O)c2cccc(Br)c2Cl)[C@@H]1C[NH3+] ZINC000262126606 553166486 /nfs/dbraw/zinc/16/64/86/553166486.db2.gz WIZZTPRUPKCOQN-MWLCHTKSSA-N 1 0 381.723 2.850 20 0 GFADRO O=C(C[C@H]1COCC[NH2+]1)Nc1nc(-c2ccc(Br)cc2)cs1 ZINC000262221845 553167501 /nfs/dbraw/zinc/16/75/01/553167501.db2.gz PFBLZIBVFRKLNL-LBPRGKRZSA-N 1 0 382.283 2.890 20 0 GFADRO CS(=O)(=O)C1(C(=O)Nc2nc(-c3cccc(Cl)c3)cs2)CC[NH2+]CC1 ZINC000262240809 553167866 /nfs/dbraw/zinc/16/78/66/553167866.db2.gz RLOFOHHFZOGAPC-UHFFFAOYSA-N 1 0 399.925 2.569 20 0 GFADRO C[C@H]1C[C@@H](C(=O)N2CCN(C(=O)c3cc(Cl)cc(Cl)c3)CC2)CC[NH2+]1 ZINC000262313112 553168443 /nfs/dbraw/zinc/16/84/43/553168443.db2.gz BQUZSKNLZCCSJZ-STQMWFEESA-N 1 0 384.307 2.666 20 0 GFADRO O=C(C[C@@H]1COCC[NH2+]1)Nc1nc(-c2cc(Br)cs2)cs1 ZINC000262284276 553168583 /nfs/dbraw/zinc/16/85/83/553168583.db2.gz XPMJWZLTLILXCI-SECBINFHSA-N 1 0 388.312 2.951 20 0 GFADRO O=C(NC[C@@H]1[NH2+]CCc2ccccc21)c1[nH]nc(C2CC2)c1Br ZINC000262339717 553168967 /nfs/dbraw/zinc/16/89/67/553168967.db2.gz HSJLLOBMTDSFBW-ZDUSSCGKSA-N 1 0 375.270 2.666 20 0 GFADRO O=C(C[NH2+]CC1CC1)Nc1ccc(CCn2cc(Br)cn2)cc1 ZINC000262643388 553173383 /nfs/dbraw/zinc/17/33/83/553173383.db2.gz SXIGDHUFHSXMCK-UHFFFAOYSA-N 1 0 377.286 2.826 20 0 GFADRO Cc1c(C(=O)N[C@H]2CC[NH2+]C[C@H]2C)cnn1-c1cccc(Br)c1 ZINC000262726609 553174746 /nfs/dbraw/zinc/17/47/46/553174746.db2.gz HKUFPDFLXWMNIT-BZNIZROVSA-N 1 0 377.286 2.671 20 0 GFADRO Cc1c(C(=O)N2CC[NH2+][C@@H](C)[C@H]2C)cnn1-c1ccc(Br)cc1 ZINC000262744036 553175193 /nfs/dbraw/zinc/17/51/93/553175193.db2.gz JIMIUFIAHCSRIG-NWDGAFQWSA-N 1 0 377.286 2.766 20 0 GFADRO COc1ccc(S(=O)(=O)N[C@@H](C[NH3+])C2CCCCC2)c(Br)c1 ZINC000262772566 553175566 /nfs/dbraw/zinc/17/55/66/553175566.db2.gz MPLNMGRONMKEOO-AWEZNQCLSA-N 1 0 391.331 2.644 20 0 GFADRO CO[C@@H](C[NH3+])CC(=O)Nc1nc(-c2cc(Br)cs2)cs1 ZINC000262848103 553177141 /nfs/dbraw/zinc/17/71/41/553177141.db2.gz JSDIMAKAHVTYFS-MRVPVSSYSA-N 1 0 376.301 2.936 20 0 GFADRO CO[C@H](C[NH3+])CC(=O)Nc1nc(-c2cc(Br)cs2)cs1 ZINC000262848105 553177427 /nfs/dbraw/zinc/17/74/27/553177427.db2.gz JSDIMAKAHVTYFS-QMMMGPOBSA-N 1 0 376.301 2.936 20 0 GFADRO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000262869944 553177942 /nfs/dbraw/zinc/17/79/42/553177942.db2.gz UXIXBKDQWUEFLZ-RNCFNFMXSA-N 1 0 379.254 2.592 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)c2nn(-c3ccc(F)cc3)cc2Br)CC[NH2+]1 ZINC000262923738 553178964 /nfs/dbraw/zinc/17/89/64/553178964.db2.gz RYUYJXWRTIROJY-PWSUYJOCSA-N 1 0 381.249 2.644 20 0 GFADRO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)N[C@H]1CC[NH2+][C@@H](C)C1 ZINC000262946044 553179516 /nfs/dbraw/zinc/17/95/16/553179516.db2.gz VBWNIBLIDGDOLM-CABZTGNLSA-N 1 0 379.254 2.734 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)[C@H]2CCCN2C(=O)c2ccc(Cl)c(Cl)c2)CC[NH2+]1 ZINC000262956558 553179521 /nfs/dbraw/zinc/17/95/21/553179521.db2.gz WCAJXJNGDWZMTD-AXAPSJFSSA-N 1 0 384.307 2.855 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)c2ccc(Cl)c(I)c2)CC[NH2+]1 ZINC000262955453 553179549 /nfs/dbraw/zinc/17/95/49/553179549.db2.gz VVXPUTUGZUEVGG-SCZZXKLOSA-N 1 0 378.641 2.815 20 0 GFADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNCc1ccc(CSC(F)F)o1 ZINC000263653327 553190184 /nfs/dbraw/zinc/19/01/84/553190184.db2.gz DTHCVYBILCCBKN-OAHLLOKOSA-N 1 0 375.485 2.768 20 0 GFADRO CSc1ccc(Cl)c(C(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)c1 ZINC000263663337 553190644 /nfs/dbraw/zinc/19/06/44/553190644.db2.gz HHTMQCTUKSBIMC-MRXNPFEDSA-N 1 0 383.945 2.734 20 0 GFADRO Cc1c2cc(Br)ccc2oc1C(=O)NC[C@@H](C)N1CC[NH+](C)CC1 ZINC000263779323 553193598 /nfs/dbraw/zinc/19/35/98/553193598.db2.gz OMNORGMDECBCPV-GFCCVEGCSA-N 1 0 394.313 2.869 20 0 GFADRO C[NH+](C)C1(CNC(=O)C(=O)Nc2ccc(Cl)cc2Br)CCC1 ZINC000446174871 563860332 /nfs/dbraw/zinc/86/03/32/563860332.db2.gz KTQJHPZYIBFOPA-UHFFFAOYSA-N 1 0 388.693 2.642 20 0 GFADRO O=S(=O)(c1ccc(Br)c(Cl)c1)N1CCC2(C1)CC[NH2+]CC2 ZINC000369182839 563889488 /nfs/dbraw/zinc/88/94/88/563889488.db2.gz JFGVYYMMNXUXOU-UHFFFAOYSA-N 1 0 393.734 2.867 20 0 GFADRO CCCOC[C@@H](Cc1cccc(Br)c1)NC(=O)NC[C@@H](C)C[NH3+] ZINC000418032319 563896475 /nfs/dbraw/zinc/89/64/75/563896475.db2.gz PRGPSYRJFYHZQA-XJKSGUPXSA-N 1 0 386.334 2.681 20 0 GFADRO CN(C(=O)NCc1cc(Br)ccc1Br)C1CC([NH3+])C1 ZINC000418050750 563896756 /nfs/dbraw/zinc/89/67/56/563896756.db2.gz WYJLIDSNKFOILD-UHFFFAOYSA-N 1 0 391.107 2.843 20 0 GFADRO CCS(=O)(=O)C[C@H](C)[NH2+][C@@H](C)[C@@H](OC)c1ccc(Br)cc1 ZINC000538197144 564184590 /nfs/dbraw/zinc/18/45/90/564184590.db2.gz CTHVHGVXOQELER-SLEUVZQESA-N 1 0 378.332 2.938 20 0 GFADRO C[NH+](C)CC1(CNCc2ncc(I)s2)CCCC1 ZINC000511923999 564385969 /nfs/dbraw/zinc/38/59/69/564385969.db2.gz SMKANICXQYSCGZ-UHFFFAOYSA-N 1 0 379.311 2.959 20 0 GFADRO COc1cc(Br)ccc1C[NH2+]CC1(S(C)(=O)=O)CCCC1 ZINC000513002389 564418154 /nfs/dbraw/zinc/41/81/54/564418154.db2.gz YHQNVOHBNMCOHX-UHFFFAOYSA-N 1 0 376.316 2.905 20 0 GFADRO C[C@H]([NH2+]C[C@@H]1CCCN1CCCO)c1ccc(I)cc1 ZINC000453260780 564450898 /nfs/dbraw/zinc/45/08/98/564450898.db2.gz RLYUCAWMENDQFX-BBRMVZONSA-N 1 0 388.293 2.789 20 0 GFADRO C[C@H]([NH2+][C@@H](CO)C1CCOCC1)c1ccc(F)c(I)c1 ZINC000453198005 564449326 /nfs/dbraw/zinc/44/93/26/564449326.db2.gz UNFUESUTUQDHPY-BONVTDFDSA-N 1 0 393.240 2.868 20 0 GFADRO CCC[NH2+][C@@H](C)C(=O)NCc1cc(Cl)cc(I)c1 ZINC000582664147 564856157 /nfs/dbraw/zinc/85/61/57/564856157.db2.gz BPGTTWNZBQPTCH-VIFPVBQESA-N 1 0 380.657 2.949 20 0 GFADRO O=C(C[C@H]1CC[NH2+]C1)NCc1cc(Cl)cc(I)c1 ZINC000592255585 565264273 /nfs/dbraw/zinc/26/42/73/565264273.db2.gz TYCSFNXKGFKUDX-SECBINFHSA-N 1 0 378.641 2.560 20 0 GFADRO CN(C(=O)c1cc(F)c(F)cc1I)[C@@H]1CCC[NH2+]CC1 ZINC000369751564 563223874 /nfs/dbraw/zinc/22/38/74/563223874.db2.gz YCZGRVPRJDWNDZ-SECBINFHSA-N 1 0 394.203 2.784 20 0 GFADRO COCCN(Cc1sccc1Br)C(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000418600860 563220598 /nfs/dbraw/zinc/22/05/98/563220598.db2.gz TZIXSPBVJPPJDP-AAEUAGOBSA-N 1 0 390.347 2.667 20 0 GFADRO Cc1cc(S(=O)(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)sc1Br ZINC000425218704 563412221 /nfs/dbraw/zinc/41/22/21/563412221.db2.gz ZGOMURYOFJFAPP-WDEREUQCSA-N 1 0 379.345 2.534 20 0 GFADRO Cc1cc(C(=O)NC[C@H](C)N2CC[NH+](C)CC2)cc(Cl)c1Br ZINC000284414062 563474141 /nfs/dbraw/zinc/47/41/41/563474141.db2.gz RTIOHENAGLXSMY-LBPRGKRZSA-N 1 0 388.737 2.777 20 0 GFADRO C[C@@H](c1ccccc1)[NH+]1CCC(NS(=O)(=O)c2ncn(C)c2Cl)CC1 ZINC000369377074 563213174 /nfs/dbraw/zinc/21/31/74/563213174.db2.gz FDAZAOBSQJYTTC-ZDUSSCGKSA-N 1 0 382.917 2.577 20 0 GFADRO O=C(Cc1sccc1Br)NCC1([NH+]2CCCC2)CCOCC1 ZINC000294699581 563213211 /nfs/dbraw/zinc/21/32/11/563213211.db2.gz VGBLVUTYPCJSJE-UHFFFAOYSA-N 1 0 387.343 2.814 20 0 GFADRO C[NH2+]C[C@H]1CCCN1C(=O)NCCc1c[nH]c2cccc(Br)c12 ZINC000418203951 563213390 /nfs/dbraw/zinc/21/33/90/563213390.db2.gz WVPLYJGNKZUBAA-CYBMUJFWSA-N 1 0 379.302 2.866 20 0 GFADRO CCCN(CCC[NH+](C)C)C(=O)NCc1ccc(S(C)(=O)=O)c(Cl)c1 ZINC000277558038 563213576 /nfs/dbraw/zinc/21/35/76/563213576.db2.gz WIHVVIBORHWZTG-UHFFFAOYSA-N 1 0 389.949 2.617 20 0 GFADRO C[C@@H]1CCN(C(=O)NCCC(=O)Nc2cc(Cl)cc(Cl)c2)C[C@H]1C[NH3+] ZINC000418211055 563213590 /nfs/dbraw/zinc/21/35/90/563213590.db2.gz DHLIRJPTWOJISF-VXGBXAGGSA-N 1 0 387.311 2.948 20 0 GFADRO CCc1ccccc1[C@H]([NH3+])CNC(=O)NCCCn1cc(Br)cn1 ZINC000418197216 563213644 /nfs/dbraw/zinc/21/36/44/563213644.db2.gz SNEGHNVYHYBLAA-MRXNPFEDSA-N 1 0 394.317 2.597 20 0 GFADRO C[C@@H]([NH3+])C1CCN(C(=O)NCc2nc3c(cccc3Br)[nH]2)CC1 ZINC000418266657 563214991 /nfs/dbraw/zinc/21/49/91/563214991.db2.gz NDKYITWDIWHFME-SNVBAGLBSA-N 1 0 380.290 2.594 20 0 GFADRO O=C(N[C@@H]1CCc2c1ccc(F)c2Br)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000418254106 563215069 /nfs/dbraw/zinc/21/50/69/563215069.db2.gz QGBNAXDEBSUGKY-FIXISWKDSA-N 1 0 382.277 2.826 20 0 GFADRO CCCN(C(=O)NCCN1CC[NH2+]CC1)[C@@H](C)c1ccccc1Br ZINC000418310908 563215571 /nfs/dbraw/zinc/21/55/71/563215571.db2.gz ZAPYNHKQDRZTBJ-HNNXBMFYSA-N 1 0 397.361 2.837 20 0 GFADRO CC(C)[C@H]([NH3+])CNC(=O)N1CCN([C@@H](C)c2ccc(Br)cc2)CC1 ZINC000418374888 563216284 /nfs/dbraw/zinc/21/62/84/563216284.db2.gz DCVCOGGOPDAEIN-WMLDXEAASA-N 1 0 397.361 2.821 20 0 GFADRO CC(C)[C@@H]([NH3+])CNC(=O)N1CCN([C@H](C)c2ccc(Br)cc2)CC1 ZINC000418374876 563216349 /nfs/dbraw/zinc/21/63/49/563216349.db2.gz DCVCOGGOPDAEIN-PBHICJAKSA-N 1 0 397.361 2.821 20 0 GFADRO O=C(NCc1cccc(Br)c1)N1CCC[N@@H+](C2CCOCC2)CC1 ZINC000369534821 563216463 /nfs/dbraw/zinc/21/64/63/563216463.db2.gz ILESLUAUPXFEOX-UHFFFAOYSA-N 1 0 396.329 2.845 20 0 GFADRO [NH3+]C[C@H](NC(=O)N1CCC(Nc2cccc(Br)c2)CC1)C1CC1 ZINC000418390611 563216591 /nfs/dbraw/zinc/21/65/91/563216591.db2.gz BLJIEOGLRJNYJC-INIZCTEOSA-N 1 0 381.318 2.772 20 0 GFADRO O=C(Cc1ccc(Br)s1)N1CCC[N@@H+](C2CCOCC2)CC1 ZINC000369546297 563217237 /nfs/dbraw/zinc/21/72/37/563217237.db2.gz AONDHODQSSVJSA-UHFFFAOYSA-N 1 0 387.343 2.766 20 0 GFADRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1c(Br)cnn1C ZINC000294807649 563217527 /nfs/dbraw/zinc/21/75/27/563217527.db2.gz BURVQYWPUBBFSD-CZUORRHYSA-N 1 0 391.313 2.823 20 0 GFADRO C[C@@H]1[C@H](c2ccc(Br)cc2)OCCN1C(=O)NCC1([NH3+])CCC1 ZINC000418507233 563218670 /nfs/dbraw/zinc/21/86/70/563218670.db2.gz IFJZMPPPEWOHQC-IUODEOHRSA-N 1 0 382.302 2.802 20 0 GFADRO O=C(NCC1=CC[NH2+]CC1)N[C@@H](CO)c1ccc(Cl)cc1C(F)(F)F ZINC000418534778 563219455 /nfs/dbraw/zinc/21/94/55/563219455.db2.gz BKFOIHORMGRYCO-AWEZNQCLSA-N 1 0 377.794 2.611 20 0 GFADRO [NH3+]C1(CNC(=O)N2CCC[C@@H]2C(=O)Nc2cc(Cl)cc(Cl)c2)CCC1 ZINC000418527128 563219566 /nfs/dbraw/zinc/21/95/66/563219566.db2.gz OZGYVESHWVDQDR-CQSZACIVSA-N 1 0 385.295 2.987 20 0 GFADRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N(C)[C@H]1CCOc2ccc(Br)cc21 ZINC000418587951 563220855 /nfs/dbraw/zinc/22/08/55/563220855.db2.gz HIMKAEDLHBEPBN-DFBGVHRSSA-N 1 0 382.302 2.912 20 0 GFADRO COCCN(Cc1ccc(Br)s1)C(=O)N[C@H]1CC[NH2+][C@@H](C)C1 ZINC000418596230 563220944 /nfs/dbraw/zinc/22/09/44/563220944.db2.gz HCHGEPGHVCUBII-RYUDHWBXSA-N 1 0 390.347 2.809 20 0 GFADRO COCCN(Cc1sccc1Br)C(=O)N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000418614009 563221457 /nfs/dbraw/zinc/22/14/57/563221457.db2.gz WXDXDPSMCCIEFQ-NWDGAFQWSA-N 1 0 390.347 2.809 20 0 GFADRO C[NH+]1CCC2(CCCN(S(=O)(=O)c3ccc(Cl)nc3Cl)C2)CC1 ZINC000369720311 563222564 /nfs/dbraw/zinc/22/25/64/563222564.db2.gz HBMWOEDRSJILEE-UHFFFAOYSA-N 1 0 378.325 2.885 20 0 GFADRO CC[C@H]([NH3+])CNC(=O)N1CCN([C@@H](C)c2ccc(Br)cc2)CC1 ZINC000418714998 563222665 /nfs/dbraw/zinc/22/26/65/563222665.db2.gz QPXSVSYUTKTGSN-BBRMVZONSA-N 1 0 383.334 2.575 20 0 GFADRO CC[C@@H]([NH3+])CNC(=O)N1CCC[C@@H]1c1ccc(I)cc1 ZINC000418712128 563222715 /nfs/dbraw/zinc/22/27/15/563222715.db2.gz WWVNQJKMEQXEGL-ZIAGYGMSSA-N 1 0 387.265 2.875 20 0 GFADRO CC[NH2+]CC1CCN(C(=O)C(=O)NCCc2cccc(Cl)c2Cl)CC1 ZINC000418759498 563224153 /nfs/dbraw/zinc/22/41/53/563224153.db2.gz IKBUQVZSEUQBFR-UHFFFAOYSA-N 1 0 386.323 2.500 20 0 GFADRO COCCN(Cc1sccc1Br)C(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000418804332 563225803 /nfs/dbraw/zinc/22/58/03/563225803.db2.gz ZDELERNMQXJKPY-RYUDHWBXSA-N 1 0 390.347 2.796 20 0 GFADRO O=C(NCCC[C@@H]1CCC[NH2+]1)N[C@@H](CCO)c1ccccc1Br ZINC000418775396 563226060 /nfs/dbraw/zinc/22/60/60/563226060.db2.gz SHKQPRPPQZZCBB-BBRMVZONSA-N 1 0 384.318 2.704 20 0 GFADRO Cn1cc([C@H]2C[N@H+](Cc3cncc(Br)c3)CC23CCOCC3)cn1 ZINC000295031320 563226193 /nfs/dbraw/zinc/22/61/93/563226193.db2.gz NYDGDUDRRKKIKX-QGZVFWFLSA-N 1 0 391.313 2.974 20 0 GFADRO CN(C(=O)C(=O)N[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1)[C@@H]1CCC[NH2+]CC1 ZINC000418818457 563226416 /nfs/dbraw/zinc/22/64/16/563226416.db2.gz ORBLBDGMJDMENQ-DVOMOZLQSA-N 1 0 384.307 2.566 20 0 GFADRO C[NH2+]CC1CCN(C(=O)C(=O)N[C@H](C)c2cc(F)c(Cl)cc2Cl)CC1 ZINC000418869780 563228541 /nfs/dbraw/zinc/22/85/41/563228541.db2.gz XJWJJPTUXRDDAF-SNVBAGLBSA-N 1 0 390.286 2.768 20 0 GFADRO COc1cc(C[NH2+]C[C@@H]2CCCN2c2cccnn2)cc(Br)c1O ZINC000369968089 563229466 /nfs/dbraw/zinc/22/94/66/563229466.db2.gz AVYYHSZVHQSYGP-ZDUSSCGKSA-N 1 0 393.285 2.712 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)c2cccnc2-n2cc(Br)cn2)C1 ZINC000295111419 563229729 /nfs/dbraw/zinc/22/97/29/563229729.db2.gz LIKGUVLJRGJIGE-ZIAGYGMSSA-N 1 0 392.301 2.632 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)NCCCc2ccc(Cl)cc2Cl)C1 ZINC000419032176 563232403 /nfs/dbraw/zinc/23/24/03/563232403.db2.gz ARGILPCFLSAYTR-TZMCWYRMSA-N 1 0 386.323 2.628 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCN(CCN2CCOCC2)C1)c1ccc(Br)cc1 ZINC000370115558 563234176 /nfs/dbraw/zinc/23/41/76/563234176.db2.gz XZYUZOKYJLQTFW-MAUKXSAKSA-N 1 0 382.346 2.506 20 0 GFADRO [NH3+]CC[C@H]1CCCN(C(=O)C(=O)N[C@@H]2CCSc3ccc(Cl)cc32)C1 ZINC000419223696 563235618 /nfs/dbraw/zinc/23/56/18/563235618.db2.gz YTEWILZGHCHNRA-IUODEOHRSA-N 1 0 381.929 2.581 20 0 GFADRO COCCC[N@@H+]1CCCN(C[C@@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000370168603 563235659 /nfs/dbraw/zinc/23/56/59/563235659.db2.gz GCOMMWZUKCDQME-MRXNPFEDSA-N 1 0 391.339 2.777 20 0 GFADRO O=C(NC[C@@H]1CCC[C@H]1[NH+]1CCOCC1)c1c(F)cccc1Br ZINC000370160399 563235816 /nfs/dbraw/zinc/23/58/16/563235816.db2.gz GKGPKJMGRZVVTJ-SWLSCSKDSA-N 1 0 385.277 2.819 20 0 GFADRO COCCC[N@@H+]1CCCN(CCC(=O)Nc2cccc(Br)c2)CC1 ZINC000370168447 563235822 /nfs/dbraw/zinc/23/58/22/563235822.db2.gz DHEUWUSGYMYFEW-UHFFFAOYSA-N 1 0 398.345 2.822 20 0 GFADRO COC[C@@]1(C(=O)OC)CC[N@H+](Cc2nc3cc(Br)ccc3o2)C1 ZINC000295232971 563236787 /nfs/dbraw/zinc/23/67/87/563236787.db2.gz XDQUUTRZMALWSD-MRXNPFEDSA-N 1 0 383.242 2.602 20 0 GFADRO C[C@@H]1CN(Cc2nnc(-c3ccc(Cl)cc3Cl)o2)[C@@H](C)C[N@@H+]1CCO ZINC000419329641 563236961 /nfs/dbraw/zinc/23/69/61/563236961.db2.gz QCJNSXLCFDNGRY-NEPJUHHUSA-N 1 0 385.295 2.930 20 0 GFADRO COc1cc(Br)ccc1CCC[N@@H+]1C[C@H](C)N(CCO)C[C@H]1C ZINC000419326376 563237089 /nfs/dbraw/zinc/23/70/89/563237089.db2.gz BYSLVEWBGFTZKQ-CABCVRRESA-N 1 0 385.346 2.777 20 0 GFADRO COC[C@H](C)OC[C@@H](O)C[NH2+][C@@H](C)c1ccc(OC)c(Br)c1 ZINC000278031680 563237642 /nfs/dbraw/zinc/23/76/42/563237642.db2.gz IAYBCZNNZIKQRJ-OBJOEFQTSA-N 1 0 376.291 2.521 20 0 GFADRO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1Cc1ncc(-c2ccc(Br)cc2)o1 ZINC000419338810 563237908 /nfs/dbraw/zinc/23/79/08/563237908.db2.gz ZJPWDRVLEGTGPG-KBPBESRZSA-N 1 0 394.313 2.991 20 0 GFADRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)NCC(C)(C)c1ccc(Cl)c(Cl)c1 ZINC000419363681 563239321 /nfs/dbraw/zinc/23/93/21/563239321.db2.gz QWGIYBMLOABANO-ABAIWWIYSA-N 1 0 386.323 2.501 20 0 GFADRO CC(C)(CNC(=O)C(=O)NC[C@@H]1CCC[NH2+]C1)c1ccc(Cl)c(Cl)c1 ZINC000419363700 563239508 /nfs/dbraw/zinc/23/95/08/563239508.db2.gz QXBOISDEDOBYSJ-GFCCVEGCSA-N 1 0 386.323 2.503 20 0 GFADRO C[NH2+]CC1CCN(C(=O)C(=O)NC[C@H](C)c2c(Cl)cccc2Cl)CC1 ZINC000419509857 563241035 /nfs/dbraw/zinc/24/10/35/563241035.db2.gz ATYIGAVNUMDGAE-LBPRGKRZSA-N 1 0 386.323 2.671 20 0 GFADRO O=C(Nc1ccccc1Br)N1CCC[C@@H]1C[N@H+]1CCC[C@@H]1CO ZINC000370353494 563241201 /nfs/dbraw/zinc/24/12/01/563241201.db2.gz OGHBAPFUIGMZQP-ZIAGYGMSSA-N 1 0 382.302 2.902 20 0 GFADRO O=C(Nc1ccc(Br)cc1)N1CCC[C@@H]1C[N@H+]1CCC[C@H]1CO ZINC000370353426 563241224 /nfs/dbraw/zinc/24/12/24/563241224.db2.gz NIALEQZMFHBGMW-CVEARBPZSA-N 1 0 382.302 2.902 20 0 GFADRO C[C@H](Cc1c(Cl)cccc1Cl)NC(=O)C(=O)N(C)[C@H]1CCC[NH2+]CC1 ZINC000419554675 563241509 /nfs/dbraw/zinc/24/15/09/563241509.db2.gz HOKIRZPQORHNIN-OLZOCXBDSA-N 1 0 386.323 2.641 20 0 GFADRO C[C@H](Cc1c(Cl)cccc1Cl)NC(=O)C(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000419554148 563241629 /nfs/dbraw/zinc/24/16/29/563241629.db2.gz GUMSAAQZUQWUDC-FRRDWIJNSA-N 1 0 386.323 2.626 20 0 GFADRO CC(C)c1nn(-c2ccc(Br)cc2)cc1C[N@@H+]1C[C@H](O)C[C@H]1CO ZINC000370388099 563241817 /nfs/dbraw/zinc/24/18/17/563241817.db2.gz MQBOEJPDJDZWCR-DLBZAZTESA-N 1 0 394.313 2.686 20 0 GFADRO C[C@H](Cc1c(Cl)cccc1Cl)NC(=O)C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000419568025 563242381 /nfs/dbraw/zinc/24/23/81/563242381.db2.gz KQBHGKRVSGWAKP-BZNIZROVSA-N 1 0 386.323 2.674 20 0 GFADRO C[NH2+]CCCNC(=O)C(=O)N[C@@H](C)c1ccc(-c2ccc(Cl)cc2)s1 ZINC000419614436 563243827 /nfs/dbraw/zinc/24/38/27/563243827.db2.gz MYRJICXYBOVKPQ-LBPRGKRZSA-N 1 0 379.913 2.971 20 0 GFADRO CCC(CC)(CNC(=O)C(=O)N(C)[C@H](C)C[NH3+])c1ccc(Cl)c(Cl)c1 ZINC000419657980 563244621 /nfs/dbraw/zinc/24/46/21/563244621.db2.gz XFJCQYLZOJGAKH-GFCCVEGCSA-N 1 0 388.339 2.973 20 0 GFADRO C[C@@H](C(=O)N[C@H]1CCC[N@H+](CCCO)C1)c1ccc(Br)s1 ZINC000295392763 563245143 /nfs/dbraw/zinc/24/51/43/563245143.db2.gz HSXUAIGSBLQELL-NEPJUHHUSA-N 1 0 375.332 2.577 20 0 GFADRO C[C@@H]1CN(C(=O)C(=O)NCC(C)(C)c2c(Cl)cccc2Cl)CC[C@@H]1[NH3+] ZINC000419690120 563246313 /nfs/dbraw/zinc/24/63/13/563246313.db2.gz BLNYNJBLMXIRIE-RISCZKNCSA-N 1 0 386.323 2.583 20 0 GFADRO Cc1ccc(-n2nc(Br)cc2C(=O)N[C@H]2CC[NH2+][C@H](C)C2)cc1 ZINC000278244854 563246910 /nfs/dbraw/zinc/24/69/10/563246910.db2.gz LXJOVCMDCQONKH-OLZOCXBDSA-N 1 0 377.286 2.814 20 0 GFADRO CC[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000419753482 563249620 /nfs/dbraw/zinc/24/96/20/563249620.db2.gz NTESANQVFXLHHZ-XFJVYGCCSA-N 1 0 386.323 2.626 20 0 GFADRO Cc1cc(Br)c(NC(=O)C(=O)NCC2([NH+](C)C)CC2)cc1Cl ZINC000419807880 563251163 /nfs/dbraw/zinc/25/11/63/563251163.db2.gz GDYXSQXOUSLEMM-UHFFFAOYSA-N 1 0 388.693 2.560 20 0 GFADRO [NH3+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)Cc1cccc(I)c1 ZINC000370754535 563254036 /nfs/dbraw/zinc/25/40/36/563254036.db2.gz TVPMACGAAZOJOZ-GOOCMWNKSA-N 1 0 384.261 2.705 20 0 GFADRO O=C(/C=C/c1cc(Br)cs1)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000370778431 563254637 /nfs/dbraw/zinc/25/46/37/563254637.db2.gz GFISCXCCFZINPP-VSZDKKFSSA-N 1 0 385.327 2.893 20 0 GFADRO CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000420028442 563256724 /nfs/dbraw/zinc/25/67/24/563256724.db2.gz DGYZQMQXTCZYLH-CZUORRHYSA-N 1 0 386.323 2.976 20 0 GFADRO COc1cc(C[NH2+][C@@H]2CCCN(c3ccnn3C)C2)cc(Br)c1O ZINC000278463775 563257393 /nfs/dbraw/zinc/25/73/93/563257393.db2.gz FOSRMTKDKUBQFE-CYBMUJFWSA-N 1 0 395.301 2.655 20 0 GFADRO NC(=O)c1ccccc1N1CC[C@H]([NH2+]Cc2ccc(Br)s2)C1 ZINC000370829118 563257612 /nfs/dbraw/zinc/25/76/12/563257612.db2.gz DPPVMFODDSOAQA-NSHDSACASA-N 1 0 380.311 2.978 20 0 GFADRO CN(C(=O)Cc1ccccc1Br)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000370830009 563257628 /nfs/dbraw/zinc/25/76/28/563257628.db2.gz KORWGMPSOSSGCP-KRWDZBQOSA-N 1 0 394.357 2.619 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)C(=O)N2CCc3cc(Cl)cc(Cl)c3[C@@H]2C)CC[NH2+]1 ZINC000420114459 563259099 /nfs/dbraw/zinc/25/90/99/563259099.db2.gz FUMCMTFGTVQKHL-UHIISALHSA-N 1 0 384.307 2.696 20 0 GFADRO C[C@@H]1c2cc(Cl)c(Cl)cc2CCN1C(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000420191848 563259309 /nfs/dbraw/zinc/25/93/09/563259309.db2.gz QJWCVRWWLFVIIL-MDZLAQPJSA-N 1 0 384.307 2.683 20 0 GFADRO [NH3+]C[C@H]1CC[C@@H](NC(=O)C(=O)N(Cc2cccs2)Cc2cccs2)C1 ZINC000420190755 563259363 /nfs/dbraw/zinc/25/93/63/563259363.db2.gz HGIYSOWGDFZBPM-UONOGXRCSA-N 1 0 377.535 2.582 20 0 GFADRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)C(=O)N(Cc2ccc(Cl)c(Cl)c2)C2CC2)C1 ZINC000420185435 563259521 /nfs/dbraw/zinc/25/95/21/563259521.db2.gz BSCCZBKNJUMASA-DGCLKSJQSA-N 1 0 384.307 2.728 20 0 GFADRO OC[C@H]1CC[C@H]([NH2+]Cc2ccc(Br)cc2N2CCOCC2)CC1 ZINC000295761985 563261669 /nfs/dbraw/zinc/26/16/69/563261669.db2.gz QHAJSGPKVZOUJL-CZIWCDLHSA-N 1 0 383.330 2.926 20 0 GFADRO C[C@H](O)C[N@@H+]1CCN(C(=O)Nc2ccc(OC(F)F)c(Cl)c2)[C@H](C)C1 ZINC000278575518 563262713 /nfs/dbraw/zinc/26/27/13/563262713.db2.gz JQFBBTOUVBEHLI-MNOVXSKESA-N 1 0 377.819 2.860 20 0 GFADRO NC(=O)[C@@H](c1cccc(Br)c1)N1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1 ZINC000420389695 563262898 /nfs/dbraw/zinc/26/28/98/563262898.db2.gz OXAQUPRYVDUDGO-USXIJHARSA-N 1 0 392.272 2.541 20 0 GFADRO C[C@H]1[C@@H]([NH3+])CCN1S(=O)(=O)c1ccc(Br)cc1C(F)(F)F ZINC000420438874 563263620 /nfs/dbraw/zinc/26/36/20/563263620.db2.gz WCUMRLWQCXNFJQ-XVKPBYJWSA-N 1 0 387.221 2.578 20 0 GFADRO Cc1cc(Br)cc(S(=O)(=O)N2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000420463037 563264464 /nfs/dbraw/zinc/26/44/64/563264464.db2.gz NRAPYLPOVHVRMU-CZUORRHYSA-N 1 0 387.343 2.910 20 0 GFADRO Cc1cc(S(=O)(=O)N2C[C@@H](C)[C@](C)(C[NH3+])C2)c(F)cc1Br ZINC000420458689 563264621 /nfs/dbraw/zinc/26/46/21/563264621.db2.gz KRTKCOREOYRZRK-QMTHXVAHSA-N 1 0 379.295 2.502 20 0 GFADRO C[NH2+]CCCN(C)S(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCCCO1 ZINC000420469275 563265146 /nfs/dbraw/zinc/26/51/46/563265146.db2.gz IWHNCMCPHJEZAD-OAHLLOKOSA-N 1 0 390.933 2.518 20 0 GFADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+]C[C@@H](OC)C(C)C ZINC000295894863 563266692 /nfs/dbraw/zinc/26/66/92/563266692.db2.gz YSBSHFDCGBVAPX-MLGOLLRUSA-N 1 0 387.318 2.723 20 0 GFADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1c[nH]c2cccc(Br)c12 ZINC000371199320 563268657 /nfs/dbraw/zinc/26/86/57/563268657.db2.gz SLSYJWHLZFTJQD-NWDGAFQWSA-N 1 0 378.270 2.523 20 0 GFADRO CS(=O)(=O)N1CCC[C@@H](C[N@@H+]2CCCN(c3ccccc3Cl)CC2)C1 ZINC000296012354 563271480 /nfs/dbraw/zinc/27/14/80/563271480.db2.gz QOUFBCQWOIKETD-INIZCTEOSA-N 1 0 385.961 2.524 20 0 GFADRO CS(=O)(=O)N1CCC[C@H](C[N@@H+]2CCCN(c3ccccc3Cl)CC2)C1 ZINC000296012359 563271523 /nfs/dbraw/zinc/27/15/23/563271523.db2.gz QOUFBCQWOIKETD-MRXNPFEDSA-N 1 0 385.961 2.524 20 0 GFADRO C[NH+](C)CC1CCN(S(=O)(=O)c2cc(Cl)ccc2OC(F)F)CC1 ZINC000420686084 563273943 /nfs/dbraw/zinc/27/39/43/563273943.db2.gz JAGDQHXUDMCFCN-UHFFFAOYSA-N 1 0 382.860 2.904 20 0 GFADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)Nc1ccncc1Br ZINC000278865973 563274643 /nfs/dbraw/zinc/27/46/43/563274643.db2.gz NSERBGZRSPXLHS-GFCCVEGCSA-N 1 0 383.290 2.561 20 0 GFADRO C[C@@H]1CN(CCOc2ccccc2Br)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000371366418 563275346 /nfs/dbraw/zinc/27/53/46/563275346.db2.gz LTMYJXFJUQFIOD-SJLPKXTDSA-N 1 0 396.373 2.786 20 0 GFADRO C[C@H](NC(=O)[C@H](C)[N@@H+]1CC[C@@]2(CNC(=O)C2)C1)c1ccc(Cl)cc1Cl ZINC000278930010 563276919 /nfs/dbraw/zinc/27/69/19/563276919.db2.gz SNXDGGKYPCJNMH-OAVHHTNSSA-N 1 0 384.307 2.771 20 0 GFADRO CC[C@@H](C)[NH+]1CCN(CC(=O)N(C)Cc2ccccc2Br)CC1 ZINC000296184131 563277265 /nfs/dbraw/zinc/27/72/65/563277265.db2.gz UOQCMNHPLRKHOE-OAHLLOKOSA-N 1 0 382.346 2.824 20 0 GFADRO C[C@H]1CN(C(=O)c2ccc(Br)cc2F)CCN1C1CC[NH+](C)CC1 ZINC000371465739 563278559 /nfs/dbraw/zinc/27/85/59/563278559.db2.gz HMIBZEBLFFTULZ-ZDUSSCGKSA-N 1 0 398.320 2.829 20 0 GFADRO C[C@H]1CC[C@H](C(N)=O)CN1C(=O)C1CC[NH+](Cc2ccc(Cl)s2)CC1 ZINC000371458112 563278616 /nfs/dbraw/zinc/27/86/16/563278616.db2.gz ZCWLBQIJCQGIQE-JSGCOSHPSA-N 1 0 383.945 2.726 20 0 GFADRO O=C(CC[NH2+][C@H](c1cc(Cl)ccc1Cl)[C@@H]1CCOC1)N1CCOCC1 ZINC000371480541 563278644 /nfs/dbraw/zinc/27/86/44/563278644.db2.gz PARCHPIWVGRTNG-ACJLOTCBSA-N 1 0 387.307 2.910 20 0 GFADRO Cc1ncsc1CCS(=O)(=O)N[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000296223968 563279345 /nfs/dbraw/zinc/27/93/45/563279345.db2.gz KGSYOYXDCWFCRH-RHSMWYFYSA-N 1 0 379.551 2.576 20 0 GFADRO CC[C@H]([NH2+][C@H](C)c1ccc(S(=O)(=O)C(F)F)c(OC)c1)[C@@H](O)C(F)F ZINC000296284003 563282255 /nfs/dbraw/zinc/28/22/55/563282255.db2.gz FDEUICZZFOLJNA-DFAYQTQMSA-N 1 0 387.395 2.747 20 0 GFADRO C[C@@H](NC(=O)C(=O)NC[C@H](c1cccs1)[NH+](C)C)c1ccc(Cl)cc1 ZINC000420762811 563284961 /nfs/dbraw/zinc/28/49/61/563284961.db2.gz NAROGBAOUNONBM-IUODEOHRSA-N 1 0 379.913 2.998 20 0 GFADRO CC(C)(O)C[N@@H+]1CCc2c(cccc2NC(=O)C[C@@H]2CSCCS2)C1 ZINC000371705986 563285051 /nfs/dbraw/zinc/28/50/51/563285051.db2.gz HEPVJXLXBSCFMV-OAHLLOKOSA-N 1 0 380.579 2.993 20 0 GFADRO O=C(NCc1ccc(Br)cc1)N1CCC[N@@H+](C2CCOCC2)CC1 ZINC000371698717 563285096 /nfs/dbraw/zinc/28/50/96/563285096.db2.gz YRKQHRPZZUKFBL-UHFFFAOYSA-N 1 0 396.329 2.845 20 0 GFADRO C[NH+](C)C1CCC(NC(=O)N[C@H](CO)c2cccc(Br)c2)CC1 ZINC000420888411 563289789 /nfs/dbraw/zinc/28/97/89/563289789.db2.gz GRJRALNILCECSK-UYSNPLJNSA-N 1 0 384.318 2.655 20 0 GFADRO Cc1ccc(-c2csc(NC(=O)C(=O)NCC(C)(C)C[NH+](C)C)n2)s1 ZINC000279302225 563290908 /nfs/dbraw/zinc/29/09/08/563290908.db2.gz CIWCBIMPKHRAEX-UHFFFAOYSA-N 1 0 380.539 2.823 20 0 GFADRO CCN1CCC([N@@H+]2CCCN(Cc3ccc(Br)cn3)CC2)CC1 ZINC000420979149 563291916 /nfs/dbraw/zinc/29/19/16/563291916.db2.gz JWQKMRQTFPUMAK-UHFFFAOYSA-N 1 0 381.362 2.836 20 0 GFADRO CNC(=O)[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000420979434 563292304 /nfs/dbraw/zinc/29/23/04/563292304.db2.gz STFUZZLVQFHIHB-UWVGGRQHSA-N 1 0 377.794 2.754 20 0 GFADRO O=S(=O)(c1cccs1)N1CCC([NH2+]CCOc2cccc(F)c2)CC1 ZINC000371974405 563292729 /nfs/dbraw/zinc/29/27/29/563292729.db2.gz OSSWLWWKNVHVGZ-UHFFFAOYSA-N 1 0 384.498 2.709 20 0 GFADRO C[C@@H](C[NH2+]C1CCN(S(=O)(=O)c2cccs2)CC1)N1CCC[C@@H](C)C1 ZINC000371980606 563292965 /nfs/dbraw/zinc/29/29/65/563292965.db2.gz ZTTHQYXYECAWGA-CVEARBPZSA-N 1 0 385.599 2.611 20 0 GFADRO C[C@H](C[NH2+]C1CCN(S(=O)(=O)c2cccs2)CC1)N1CCC[C@H](C)C1 ZINC000371980609 563293013 /nfs/dbraw/zinc/29/30/13/563293013.db2.gz ZTTHQYXYECAWGA-JKSUJKDBSA-N 1 0 385.599 2.611 20 0 GFADRO CN(CC(=O)Nc1c(F)cc(F)cc1Br)C[C@H]1CCC[N@@H+]1C ZINC000421017119 563293510 /nfs/dbraw/zinc/29/35/10/563293510.db2.gz ZDFQIHPDLFMWNT-LLVKDONJSA-N 1 0 376.245 2.692 20 0 GFADRO Cc1c(Br)ccc(C(=O)NCC2(O)CC[NH+](C(C)C)CC2)c1F ZINC000279402702 563295660 /nfs/dbraw/zinc/29/56/60/563295660.db2.gz IDUFHDSQMVXTGN-UHFFFAOYSA-N 1 0 387.293 2.862 20 0 GFADRO COC(=O)c1cc(Br)ccc1NC(=O)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000372236533 563299794 /nfs/dbraw/zinc/29/97/94/563299794.db2.gz MLEDOTNOKSNWHB-CYBMUJFWSA-N 1 0 396.285 2.938 20 0 GFADRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)Nc1nnc2ccc(Br)cn21 ZINC000296736140 563299833 /nfs/dbraw/zinc/29/98/33/563299833.db2.gz HAJHPBUPGAKCIL-YPMHNXCESA-N 1 0 393.289 2.582 20 0 GFADRO CC[C@@H](NC(=O)NC1CC[NH+](Cc2ccsc2)CC1)[C@@H](O)C(F)(F)F ZINC000372319648 563301835 /nfs/dbraw/zinc/30/18/35/563301835.db2.gz VYCKGQLXBVHFAU-ZIAGYGMSSA-N 1 0 379.448 2.714 20 0 GFADRO C[C@@H](CC[NH+](C)C)NC(=O)NCc1nc(-c2cccc(Br)c2)no1 ZINC000279591405 563302018 /nfs/dbraw/zinc/30/20/18/563302018.db2.gz QKSVDOVSWGZSMG-NSHDSACASA-N 1 0 396.289 2.639 20 0 GFADRO NS(=O)(=O)C1CC[NH+](Cc2ccc(-c3ccc(Br)cc3)o2)CC1 ZINC000372383526 563303882 /nfs/dbraw/zinc/30/38/82/563303882.db2.gz MDLROYGCLONJQX-UHFFFAOYSA-N 1 0 399.310 2.962 20 0 GFADRO CN(C(=O)[C@H]1CCCN1c1ncc(C(F)(F)F)cc1Cl)[C@@H]1CC[NH2+]C1 ZINC000372399283 563304481 /nfs/dbraw/zinc/30/44/81/563304481.db2.gz GSGHUYIFIPWLCH-DGCLKSJQSA-N 1 0 376.810 2.543 20 0 GFADRO Brc1ccc(C[NH2+][C@@H]2C[C@@H]3OCCC[C@@H]23)c(N2CCOCC2)c1 ZINC000372417623 563305240 /nfs/dbraw/zinc/30/52/40/563305240.db2.gz PNCPWUFZAIRWFI-JZXOWHBKSA-N 1 0 381.314 2.943 20 0 GFADRO O=S1(=O)CCCN1[C@@H]1CCCN(Cc2cccc(Br)c2F)C1 ZINC000296874032 563306461 /nfs/dbraw/zinc/30/64/61/563306461.db2.gz PPEDEDQCOQIOGX-CYBMUJFWSA-N 1 0 391.306 2.588 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000421306370 563306522 /nfs/dbraw/zinc/30/65/22/563306522.db2.gz WEVHQTLHLJNMQD-AWEZNQCLSA-N 1 0 382.302 2.503 20 0 GFADRO O=C(Nc1ccnn1Cc1ccc(Br)cc1)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000372504335 563308480 /nfs/dbraw/zinc/30/84/80/563308480.db2.gz PVMFDTOAGLEBPU-WMLDXEAASA-N 1 0 375.270 2.632 20 0 GFADRO [NH3+][C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccn(-c2cccc(Br)c2)n1 ZINC000372494998 563308647 /nfs/dbraw/zinc/30/86/47/563308647.db2.gz DSKANBBCIUFIJB-YOWGUQMCSA-N 1 0 375.270 2.729 20 0 GFADRO CCCOc1c(Br)cc(C[N@@H+]2CC[C@@H](C(=O)NC)C2)cc1OC ZINC000421396725 563309407 /nfs/dbraw/zinc/30/94/07/563309407.db2.gz ZNABCENMOZLHJF-CYBMUJFWSA-N 1 0 385.302 2.814 20 0 GFADRO CC(C)[N@@H+](Cc1ccc(Br)c(Br)c1)C[C@H](O)CO ZINC000421409934 563309600 /nfs/dbraw/zinc/30/96/00/563309600.db2.gz NUXNYQWYZZRGKO-NSHDSACASA-N 1 0 381.108 2.775 20 0 GFADRO CO[C@@H](c1ccccc1)[C@@H](C)[NH2+]C1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000279791814 563310745 /nfs/dbraw/zinc/31/07/45/563310745.db2.gz VDJFYBZZERLWFL-IUODEOHRSA-N 1 0 380.432 2.666 20 0 GFADRO CN(C(=O)c1cc(=O)[nH]c2ccc(Br)cc21)[C@H]1CCC[NH2+]CC1 ZINC000372566034 563311365 /nfs/dbraw/zinc/31/13/65/563311365.db2.gz CHNMUAPOZWMVFR-LBPRGKRZSA-N 1 0 378.270 2.917 20 0 GFADRO CC[NH+](CC)[C@@H](CNC(=O)C(=O)N[C@@H](C)c1nccs1)c1ccsc1 ZINC000421509109 563313265 /nfs/dbraw/zinc/31/32/65/563313265.db2.gz BDKYRGKUWCATJD-JSGCOSHPSA-N 1 0 380.539 2.581 20 0 GFADRO CCO[C@H](CC[NH+](C)C)CNC(=O)N[C@H](c1nc(C)cs1)C(F)(F)F ZINC000297112344 563316361 /nfs/dbraw/zinc/31/63/61/563316361.db2.gz QNJXOMBHGBTKGD-VXGBXAGGSA-N 1 0 382.452 2.711 20 0 GFADRO CS(=O)(=O)c1ccc(C(=O)NCC2CC[NH+](Cc3cccs3)CC2)s1 ZINC000421758612 563321312 /nfs/dbraw/zinc/32/13/12/563321312.db2.gz RXPBLMOLOAGEPT-UHFFFAOYSA-N 1 0 398.575 2.855 20 0 GFADRO Cc1cc(C[C@@H](C)[NH2+][C@H](C)c2cc(S(N)(=O)=O)c(Cl)cc2Cl)[nH]n1 ZINC000280081069 563321899 /nfs/dbraw/zinc/32/18/99/563321899.db2.gz LUBAGYVTCBXGHW-PSASIEDQSA-N 1 0 391.324 2.954 20 0 GFADRO C[C@@H](NC[C@H]1CC[N@@H+](C2CC2)C1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000280095524 563322353 /nfs/dbraw/zinc/32/23/53/563322353.db2.gz MSWDXMKDOCKDJB-GHMZBOCLSA-N 1 0 392.352 2.776 20 0 GFADRO O=S1(=O)CC[C@@H]([NH2+]CCCC2(O)CCC2)c2cc(Br)ccc21 ZINC000421851556 563323168 /nfs/dbraw/zinc/32/31/68/563323168.db2.gz FZNLKVFITMQZTF-CQSZACIVSA-N 1 0 388.327 2.952 20 0 GFADRO C[C@H]([NH2+]CCc1nccs1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000280166216 563324983 /nfs/dbraw/zinc/32/49/83/563324983.db2.gz QYQQECFGTUYCRX-QMMMGPOBSA-N 1 0 380.322 2.991 20 0 GFADRO O=S1(=O)CC[C@H]([NH2+]C2CCN(c3nc(-c4ccccc4)cs3)CC2)C1 ZINC000372993105 563325161 /nfs/dbraw/zinc/32/51/61/563325161.db2.gz NOYJOECDIOUUOP-INIZCTEOSA-N 1 0 377.535 2.556 20 0 GFADRO Cc1sc(Cl)nc1C(=O)N(C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000373036128 563326520 /nfs/dbraw/zinc/32/65/20/563326520.db2.gz PRTUCFBSWYMCND-GOSISDBHSA-N 1 0 379.913 2.814 20 0 GFADRO O=C([C@@H]1CCC[N@@H+]1C1CCOCC1)N1CCc2c1cccc2Br ZINC000421976152 563327118 /nfs/dbraw/zinc/32/71/18/563327118.db2.gz VUWYHUCIYXVHFQ-KRWDZBQOSA-N 1 0 379.298 2.982 20 0 GFADRO C[C@@H](NC(=O)N[C@@H]1CCC[N@H+](CCCO)C1)c1ccc(Br)cc1 ZINC000297644520 563331757 /nfs/dbraw/zinc/33/17/57/563331757.db2.gz IAYHQMPRSRJVBW-CZUORRHYSA-N 1 0 384.318 2.656 20 0 GFADRO COc1cc(Br)ccc1C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000373296206 563334033 /nfs/dbraw/zinc/33/40/33/563334033.db2.gz ZLRHZURXYHIQGE-UHFFFAOYSA-N 1 0 393.285 3.173 20 0 GFADRO OC[C@@H](C[NH2+]Cc1nc(-c2ccc(Br)cc2)c[nH]1)[C@H]1CCOC1 ZINC000280377192 563334421 /nfs/dbraw/zinc/33/44/21/563334421.db2.gz VHLHHDJZRMLCFG-UONOGXRCSA-N 1 0 380.286 2.574 20 0 GFADRO OC[C@H](C[NH2+]C1CCN(Cc2ccccc2Br)CC1)[C@H]1CCOC1 ZINC000280382854 563334484 /nfs/dbraw/zinc/33/44/84/563334484.db2.gz VZAXQWGUPPFLIJ-IRXDYDNUSA-N 1 0 397.357 2.648 20 0 GFADRO Cc1nccn1CC(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000297885131 563338738 /nfs/dbraw/zinc/33/87/38/563338738.db2.gz RHLFUZCULBQGHC-UHFFFAOYSA-N 1 0 379.302 2.544 20 0 GFADRO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C(=O)NCCCC[N@H+](C)C1CC1 ZINC000422455158 563339540 /nfs/dbraw/zinc/33/95/40/563339540.db2.gz NRVCBKJEVOZNLR-UHFFFAOYSA-N 1 0 386.323 2.942 20 0 GFADRO C[S@](=O)C1(C[NH2+]Cc2c(F)ccc(I)c2F)CCC1 ZINC000280694483 563350052 /nfs/dbraw/zinc/35/00/52/563350052.db2.gz RWPQUNYVMNKPGZ-IBGZPJMESA-N 1 0 399.244 2.960 20 0 GFADRO C[C@H](N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000373560052 563342372 /nfs/dbraw/zinc/34/23/72/563342372.db2.gz HNVPJBLVVMEWDZ-QJPTWQEYSA-N 1 0 392.352 2.918 20 0 GFADRO COc1ccc(S(=O)(=O)N2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)c(Cl)c1Cl ZINC000422553546 563342931 /nfs/dbraw/zinc/34/29/31/563342931.db2.gz KCZYAVSDMXEJQU-DCAQKATOSA-N 1 0 381.325 2.996 20 0 GFADRO O=C(Cc1ccc(F)cc1Br)NC[C@@H]1CCC[C@H]1[NH+]1CCOCC1 ZINC000373596212 563343082 /nfs/dbraw/zinc/34/30/82/563343082.db2.gz KRQPRCROSIOYIK-WMLDXEAASA-N 1 0 399.304 2.748 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)NC(C)(C)CC[NH3+] ZINC000422598065 563344490 /nfs/dbraw/zinc/34/44/90/563344490.db2.gz MGNPRKXQSIBVEE-UHFFFAOYSA-N 1 0 385.306 2.513 20 0 GFADRO CSc1nc(C)c(CCC(=O)NC[C@H](c2cccs2)[NH+](C)C)c(=O)[nH]1 ZINC000298091493 563344999 /nfs/dbraw/zinc/34/49/99/563344999.db2.gz NOCCNKHLCQCHMW-CYBMUJFWSA-N 1 0 380.539 2.626 20 0 GFADRO C[C@H]1CC[NH2+]C[C@H]1NCC(C)(C)S(=O)(=O)c1ccc(Br)cc1 ZINC000422772518 563348875 /nfs/dbraw/zinc/34/88/75/563348875.db2.gz ZFMCHGFTZNCCGS-SWLSCSKDSA-N 1 0 389.359 2.589 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)N1CCC[N@@H+]([C@H](C)CO)CC1 ZINC000373740148 563349243 /nfs/dbraw/zinc/34/92/43/563349243.db2.gz FCFCYONEWVBIQW-CQSZACIVSA-N 1 0 384.318 2.986 20 0 GFADRO C[N@@H+]1CCC[C@H]1C(=O)N[C@@H](CO)c1ccc(Br)cc1C(F)(F)F ZINC000280708791 563350693 /nfs/dbraw/zinc/35/06/93/563350693.db2.gz XTZZWOVPQRWMHO-STQMWFEESA-N 1 0 395.219 2.712 20 0 GFADRO CCN(CC)S(=O)(=O)c1ccc(CN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)s1 ZINC000422943257 563351817 /nfs/dbraw/zinc/35/18/17/563351817.db2.gz XTOSYHJCYVQJIP-GVDBMIGSSA-N 1 0 385.599 2.789 20 0 GFADRO CC[NH2+]CC1CCN(C(=O)C(=O)N(C)Cc2cccc(Cl)c2Cl)CC1 ZINC000422996363 563352493 /nfs/dbraw/zinc/35/24/93/563352493.db2.gz LMMKAQRZCFOXDE-UHFFFAOYSA-N 1 0 386.323 2.800 20 0 GFADRO C[C@@H](NC(=O)[C@@H]1C[C@H](C)CC[NH2+]1)c1cc2c(cc1Br)OCCO2 ZINC000423052397 563354022 /nfs/dbraw/zinc/35/40/22/563354022.db2.gz QMJIZYXWWGKQDF-GYSYKLTISA-N 1 0 383.286 2.786 20 0 GFADRO Cc1nn(CCS(C)(=O)=O)c(C)c1C[N@H+]1C[C@@H](c2cccs2)C[C@@H]1C ZINC000373900360 563354406 /nfs/dbraw/zinc/35/44/06/563354406.db2.gz QBMFOQOIXJQRPI-BBRMVZONSA-N 1 0 381.567 2.984 20 0 GFADRO COc1ccc([C@H](NCCn2cc(Br)cn2)[C@@H]2CCC[NH2+]2)cc1 ZINC000423104166 563355466 /nfs/dbraw/zinc/35/54/66/563355466.db2.gz GUKOXDWELPELSX-IRXDYDNUSA-N 1 0 379.302 2.737 20 0 GFADRO C[C@@H](NC(=O)NC[C@@]1([NH+](C)C)CCSC1)c1ccc(Br)cn1 ZINC000280846675 563357518 /nfs/dbraw/zinc/35/75/18/563357518.db2.gz LAZOPYUWWLZNQP-ABAIWWIYSA-N 1 0 387.347 2.642 20 0 GFADRO CC[C@H](NC[C@@H](CO)Cc1ccc(OC)c(Br)c1)[C@@H]1CCC[NH2+]1 ZINC000423156187 563357593 /nfs/dbraw/zinc/35/75/93/563357593.db2.gz MGVIYINAYIAWNZ-XIRDDKMYSA-N 1 0 385.346 2.729 20 0 GFADRO COc1ccc(C[C@H](CO)CN[C@@H](C)[C@@H]2CCCC[NH2+]2)cc1Br ZINC000423165761 563357730 /nfs/dbraw/zinc/35/77/30/563357730.db2.gz UVHDXTKIMWSKIM-QRTARXTBSA-N 1 0 385.346 2.729 20 0 GFADRO CC[C@@H](NC[C@H](CO)Cc1ccc(OC)c(Br)c1)[C@@H]1CCC[NH2+]1 ZINC000423156184 563357845 /nfs/dbraw/zinc/35/78/45/563357845.db2.gz MGVIYINAYIAWNZ-OIISXLGYSA-N 1 0 385.346 2.729 20 0 GFADRO COc1ccc(C[C@@H](CO)CN[C@H](C)[C@H]2CCCC[NH2+]2)cc1Br ZINC000423165755 563357853 /nfs/dbraw/zinc/35/78/53/563357853.db2.gz UVHDXTKIMWSKIM-FRFSOERESA-N 1 0 385.346 2.729 20 0 GFADRO CCOC(CN1CCC(O)(c2scnc2Br)CC1)OCC ZINC000374037461 563359246 /nfs/dbraw/zinc/35/92/46/563359246.db2.gz MPOFHDWCGMPAMA-UHFFFAOYSA-N 1 0 379.320 2.588 20 0 GFADRO COC[C@]1(C(=O)N(C)CC2(c3ccc(Br)cc3)CC2)CC[NH2+]C1 ZINC000423229678 563359310 /nfs/dbraw/zinc/35/93/10/563359310.db2.gz HPVORMIHKIYGQN-SFHVURJKSA-N 1 0 381.314 2.565 20 0 GFADRO COC[C@@H](NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1cccc(Cl)c1F ZINC000423405349 563360470 /nfs/dbraw/zinc/36/04/70/563360470.db2.gz ZAFKGVQGSRHRJW-KGLIPLIRSA-N 1 0 383.817 2.592 20 0 GFADRO COC[C@]1(CN[C@@H](C)c2ccc(F)c(I)c2)CCC[NH2+]1 ZINC000423418004 563361496 /nfs/dbraw/zinc/36/14/96/563361496.db2.gz TYFMNMISHHAFMZ-XHDPSFHLSA-N 1 0 392.256 2.850 20 0 GFADRO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423586838 563362237 /nfs/dbraw/zinc/36/22/37/563362237.db2.gz DDMOASVZHAJTOM-XYPWUTKMSA-N 1 0 384.307 2.693 20 0 GFADRO C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CCC(c3cccc(Cl)c3Cl)CC2)C1 ZINC000423615147 563362757 /nfs/dbraw/zinc/36/27/57/563362757.db2.gz UJOOGNRZXMHQTC-CYBMUJFWSA-N 1 0 384.307 2.520 20 0 GFADRO C[NH2+][C@H]1CCN(C(=O)C(=O)N2CCC(c3c(Cl)cccc3Cl)CC2)C1 ZINC000423609346 563362775 /nfs/dbraw/zinc/36/27/75/563362775.db2.gz LKBLAYZLCMMHMP-ZDUSSCGKSA-N 1 0 384.307 2.520 20 0 GFADRO OCC1([NH2+]Cc2ccc(I)c(Cl)c2)CCOCC1 ZINC000281000369 563363009 /nfs/dbraw/zinc/36/30/09/563363009.db2.gz FXGXOSMLNVBYMO-UHFFFAOYSA-N 1 0 381.641 2.576 20 0 GFADRO O=C([C@H]1C[C@]12CCc1cc(Br)ccc12)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000423721822 563363656 /nfs/dbraw/zinc/36/36/56/563363656.db2.gz FIJIFDHHHDQVEN-YUFWVBKYSA-N 1 0 375.310 2.863 20 0 GFADRO O=C(CCc1ccc(Br)cc1)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000423949963 563365053 /nfs/dbraw/zinc/36/50/53/563365053.db2.gz MYBDJKKUXSTOSC-UHFFFAOYSA-N 1 0 394.357 2.714 20 0 GFADRO COc1cc([C@@H](C)[NH2+]CC2([S@](C)=O)CCC2)ccc1S(=O)(=O)C(F)F ZINC000281078679 563365670 /nfs/dbraw/zinc/36/56/70/563365670.db2.gz OWZZXGIVNMSYID-JNDILOIQSA-N 1 0 395.493 2.643 20 0 GFADRO COc1cc([C@H](C)[NH2+]CC2([S@@](C)=O)CCC2)ccc1S(=O)(=O)C(F)F ZINC000281078672 563365713 /nfs/dbraw/zinc/36/57/13/563365713.db2.gz OWZZXGIVNMSYID-APXPCNQMSA-N 1 0 395.493 2.643 20 0 GFADRO Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@@H]2[NH2+]CC2([S@@](C)=O)CCC2)cc1 ZINC000281078446 563365763 /nfs/dbraw/zinc/36/57/63/563365763.db2.gz OUXJDUUKXBJCEY-HOOSLVGPSA-N 1 0 383.579 2.971 20 0 GFADRO CC(=O)N[C@H](CC(=O)N[C@@H](C[NH3+])C(C)(C)C)c1ccc(Br)cc1 ZINC000423952919 563365780 /nfs/dbraw/zinc/36/57/80/563365780.db2.gz LNABNJINZHGXQG-CABCVRRESA-N 1 0 384.318 2.506 20 0 GFADRO C[C@@H]1CN(C(=O)c2cccn2-c2ccc(I)cc2)C[C@@H]1[NH3+] ZINC000423967415 563365807 /nfs/dbraw/zinc/36/58/07/563365807.db2.gz XKXUKBPQCRGGML-RISCZKNCSA-N 1 0 395.244 2.501 20 0 GFADRO Cc1csc(C(=O)N[C@H](C[NH3+])C2CCCC2)c1I ZINC000423965859 563365852 /nfs/dbraw/zinc/36/58/52/563365852.db2.gz RMGPBPVXZWIMNT-SNVBAGLBSA-N 1 0 378.279 2.908 20 0 GFADRO C[C@@H]1CN(C(=O)c2cnn(-c3cccc(Br)c3)c2)C[C@@]1(C)C[NH3+] ZINC000423983536 563366499 /nfs/dbraw/zinc/36/64/99/563366499.db2.gz MTAYBNIVQQEJPY-SJKOYZFVSA-N 1 0 377.286 2.692 20 0 GFADRO C[C@H]1CCN(C(=O)C2CCN(C(=O)c3ccc(Cl)s3)CC2)C[C@@H]1C[NH3+] ZINC000424013928 563367196 /nfs/dbraw/zinc/36/71/96/563367196.db2.gz LBOYSDFEPBUAQP-JSGCOSHPSA-N 1 0 383.945 2.697 20 0 GFADRO O=C(c1cc2c(c(Br)c1)OCO2)N1CC[NH2+]C[C@H]1c1ccccc1 ZINC000424010045 563367225 /nfs/dbraw/zinc/36/72/25/563367225.db2.gz XNMROZKGHRAHBV-HNNXBMFYSA-N 1 0 389.249 2.965 20 0 GFADRO CCOc1cc(Br)c(CC(=O)N(C)CCC[NH2+]C)cc1OCC ZINC000424033147 563367958 /nfs/dbraw/zinc/36/79/58/563367958.db2.gz NECLJKGTJJEQDE-UHFFFAOYSA-N 1 0 387.318 2.857 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)CCc2cc(Cl)ccc2Br)CCCO1 ZINC000424028246 563368034 /nfs/dbraw/zinc/36/80/34/563368034.db2.gz WRCHNYTYJCUHRS-CYBMUJFWSA-N 1 0 375.694 2.611 20 0 GFADRO C[C@H]1CN(C(=O)c2sccc2Br)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000374318111 563368092 /nfs/dbraw/zinc/36/80/92/563368092.db2.gz PCYULHKQLSYNHT-GXTWGEPZSA-N 1 0 386.359 2.609 20 0 GFADRO C[C@@H]1C[C@H](C)N(C(=O)c2ccc(I)c(F)c2)C[C@H]1C[NH3+] ZINC000424075817 563369203 /nfs/dbraw/zinc/36/92/03/563369203.db2.gz PTYNRBKVXZLIDM-JFGNBEQYSA-N 1 0 390.240 2.876 20 0 GFADRO C[C@@H]1C[C@@H](C)N(C(=O)c2cc(F)ccc2I)C[C@H]1C[NH3+] ZINC000424068224 563369268 /nfs/dbraw/zinc/36/92/68/563369268.db2.gz HRKGLLNVFQWBIH-GMTAPVOTSA-N 1 0 390.240 2.876 20 0 GFADRO O=C(NCCCc1ccc(Cl)cc1Cl)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000424126815 563371734 /nfs/dbraw/zinc/37/17/34/563371734.db2.gz UHWGYWMHWGLHBO-CQSZACIVSA-N 1 0 382.295 2.872 20 0 GFADRO C[C@H]1CC2(CN1C(=O)Cc1cccc(I)c1)CC[NH2+]CC2 ZINC000424229558 563374485 /nfs/dbraw/zinc/37/44/85/563374485.db2.gz ZJWGJHRLCLQOEP-ZDUSSCGKSA-N 1 0 398.288 2.824 20 0 GFADRO O=C(CC[N@@H+]1CCC[C@H](c2nnc[nH]2)C1)Nc1ccccc1Br ZINC000374528320 563375529 /nfs/dbraw/zinc/37/55/29/563375529.db2.gz BFDOLTKWRDHSAQ-LBPRGKRZSA-N 1 0 378.274 2.775 20 0 GFADRO COC(=O)CC1CC([NH2+]C[C@H](CO)Cc2cc(F)cc(Br)c2)C1 ZINC000424340569 563375782 /nfs/dbraw/zinc/37/57/82/563375782.db2.gz YCJQRKVMXBRCJE-MFOWVQHXSA-N 1 0 388.277 2.671 20 0 GFADRO C[C@H]1CC2(CN1S(=O)(=O)Cc1cccc(C(F)(F)F)c1)CC[NH2+]CC2 ZINC000424386180 563377597 /nfs/dbraw/zinc/37/75/97/563377597.db2.gz DLXBUZWREVWEPY-ZDUSSCGKSA-N 1 0 376.444 2.999 20 0 GFADRO C[C@@H]1CC2(CN1S(=O)(=O)c1ccc(C(F)(F)F)c(F)c1)CC[NH2+]CC2 ZINC000424392954 563378160 /nfs/dbraw/zinc/37/81/60/563378160.db2.gz QLBREMHOKMGSTR-LLVKDONJSA-N 1 0 380.407 2.997 20 0 GFADRO O=C(CC[NH+]1CCC(Cn2cc(Br)cn2)CC1)NC1CCCC1 ZINC000374649385 563378874 /nfs/dbraw/zinc/37/88/74/563378874.db2.gz SNAUZLXMOKDLFE-UHFFFAOYSA-N 1 0 383.334 2.807 20 0 GFADRO C[C@@H]([NH2+]CCC(=O)NC(N)=O)c1nc(-c2ccc(Br)cc2)cs1 ZINC000299285129 563380442 /nfs/dbraw/zinc/38/04/42/563380442.db2.gz LXALCRQADTWXBR-SECBINFHSA-N 1 0 397.298 2.808 20 0 GFADRO CNC(=O)CCC[NH2+]Cc1c(C)nn(-c2ccc(Br)cc2)c1C ZINC000299311527 563381620 /nfs/dbraw/zinc/38/16/20/563381620.db2.gz DWANGXUAKMKREX-UHFFFAOYSA-N 1 0 379.302 2.867 20 0 GFADRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)C(=O)Nc1cc(Cl)c(N)c(Cl)c1 ZINC000299337596 563382131 /nfs/dbraw/zinc/38/21/31/563382131.db2.gz OQJGANSTBBNNKX-HZMBPMFUSA-N 1 0 385.295 2.599 20 0 GFADRO C[NH+]1CCC(CCNC(=O)C[C@@H]2Sc3ccc(Cl)cc3NC2=O)CC1 ZINC000299671250 563388755 /nfs/dbraw/zinc/38/87/55/563388755.db2.gz PFUWMRRJCBEUTC-INIZCTEOSA-N 1 0 381.929 2.991 20 0 GFADRO O=S(=O)(NC[C@H]1CC[N@@H+](C2CC2)C1)c1cc(Cl)ccc1Br ZINC000281965451 563392496 /nfs/dbraw/zinc/39/24/96/563392496.db2.gz LEABOHOFFDPFFA-SNVBAGLBSA-N 1 0 393.734 2.865 20 0 GFADRO [NH3+]CC[C@H]1CCCN(C(=O)c2cnn(-c3cccc(Br)c3)c2)C1 ZINC000281962923 563392597 /nfs/dbraw/zinc/39/25/97/563392597.db2.gz NDMYQDSPJRCTLD-CYBMUJFWSA-N 1 0 377.286 2.836 20 0 GFADRO CC[N@@H+]1CC[C@@H](CNC(=O)C2(c3ccc(I)cc3)CC2)C1 ZINC000282018292 563394323 /nfs/dbraw/zinc/39/43/23/563394323.db2.gz KDGNYIMSIFZLKI-ZDUSSCGKSA-N 1 0 398.288 2.781 20 0 GFADRO [NH3+][C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(F)c(F)cc1I ZINC000375256246 563397233 /nfs/dbraw/zinc/39/72/33/563397233.db2.gz OHOJDBYHFZGDBS-PSVAKVPMSA-N 1 0 392.187 2.664 20 0 GFADRO COCCn1cc(C[NH2+]Cc2cnc3c(C)cc(Br)cn23)cn1 ZINC000282105212 563397460 /nfs/dbraw/zinc/39/74/60/563397460.db2.gz SXDJSMOVRSZNKJ-UHFFFAOYSA-N 1 0 378.274 2.538 20 0 GFADRO [NH3+][C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)c1[nH]nc(-c2ccccc2)c1Br ZINC000375252514 563397533 /nfs/dbraw/zinc/39/75/33/563397533.db2.gz JCRBBMWQORVGBD-XYYAHUGASA-N 1 0 375.270 2.934 20 0 GFADRO COCC[C@H](CO)[NH2+]Cc1cc(Br)c(OC(F)F)c(OC)c1 ZINC000282106424 563397586 /nfs/dbraw/zinc/39/75/86/563397586.db2.gz DMKQYQXGTQXKEQ-SNVBAGLBSA-N 1 0 384.217 2.546 20 0 GFADRO COC(=O)c1cc(N2CCC[N@H+](C)CC2)c2cc(Br)ccc2n1 ZINC000301372599 563401501 /nfs/dbraw/zinc/40/15/01/563401501.db2.gz UOKBGUMXGHEXQY-UHFFFAOYSA-N 1 0 378.270 2.926 20 0 GFADRO C[N@@H+]1C[C@@H]2CCCN(C(=O)c3csc(I)c3)[C@@H]2C1 ZINC000425048316 563402428 /nfs/dbraw/zinc/40/24/28/563402428.db2.gz BKMGENAVYPOXMV-GXSJLCMTSA-N 1 0 376.263 2.519 20 0 GFADRO Brc1ccc2ncnc(N3CC[C@@H](C[NH+]4CCOCC4)C3)c2c1 ZINC000301427263 563403066 /nfs/dbraw/zinc/40/30/66/563403066.db2.gz DXYYLDQKNIQBOY-ZDUSSCGKSA-N 1 0 377.286 2.551 20 0 GFADRO CC(=O)Nc1nc(C(=O)Nc2nc3c(s2)C[N@@H+](C(C)(C)C)CC3)cs1 ZINC000425091293 563403650 /nfs/dbraw/zinc/40/36/50/563403650.db2.gz YMYWTTKLSHTIHJ-UHFFFAOYSA-N 1 0 379.511 2.967 20 0 GFADRO C[C@]1(O)CCOC[C@@H]1[C@H]1CCC[N@@H+]1Cc1cnc2ccc(Br)cn12 ZINC000375413826 563404083 /nfs/dbraw/zinc/40/40/83/563404083.db2.gz XOAVLTGMMWODRQ-NUJGCVRESA-N 1 0 394.313 2.849 20 0 GFADRO Cc1ccc(C(=O)Nc2cc(Br)ccc2N(C)CC[NH+](C)C)nn1 ZINC000425097429 563404800 /nfs/dbraw/zinc/40/48/00/563404800.db2.gz HOFBIKKYWJMNRA-UHFFFAOYSA-N 1 0 392.301 2.798 20 0 GFADRO CN(CC[NH2+][C@@H]1Cc2[nH]c3ccccc3c2C1)S(=O)(=O)c1cccs1 ZINC000282285108 563405266 /nfs/dbraw/zinc/40/52/66/563405266.db2.gz LIDFELRVUNBIOA-ZDUSSCGKSA-N 1 0 375.519 2.607 20 0 GFADRO NC(=O)[C@H](c1cccc(Br)c1)N1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000375465273 563405567 /nfs/dbraw/zinc/40/55/67/563405567.db2.gz MZJWOMVXRLKWOL-JSGCOSHPSA-N 1 0 391.269 2.725 20 0 GFADRO CC[NH+](CC)CCO[C@@H]1CCN(S(=O)(=O)CCc2ccc(Cl)cc2)C1 ZINC000425173155 563407500 /nfs/dbraw/zinc/40/75/00/563407500.db2.gz APPJUHVUHUJWQM-GOSISDBHSA-N 1 0 388.961 2.645 20 0 GFADRO O=C(N[C@@H]1CCOc2c(Br)cccc21)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000282428286 563411430 /nfs/dbraw/zinc/41/14/30/563411430.db2.gz JEXGBPWDFZZACG-XJKSGUPXSA-N 1 0 392.297 2.928 20 0 GFADRO C[N@@H+]1C[C@@H]2CCCN(S(=O)(=O)c3ccc(Br)c(Cl)c3)[C@@H]2C1 ZINC000425214635 563412040 /nfs/dbraw/zinc/41/20/40/563412040.db2.gz KDGZYTAIECHZGT-IINYFYTJSA-N 1 0 393.734 2.817 20 0 GFADRO O=C(c1cc(Br)cc2nc[nH]c21)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000282478763 563413090 /nfs/dbraw/zinc/41/30/90/563413090.db2.gz GZBOMTXABNGMAW-GFCCVEGCSA-N 1 0 377.286 2.883 20 0 GFADRO COc1cc2[nH+]ccc(NCC3(CS(C)(=O)=O)CC3)c2cc1Br ZINC000425231724 563413433 /nfs/dbraw/zinc/41/34/33/563413433.db2.gz NOADXRKZYADPIO-UHFFFAOYSA-N 1 0 399.310 2.665 20 0 GFADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3cc(Br)cc4nc[nH]c43)CC[C@@H]21 ZINC000282508975 563413789 /nfs/dbraw/zinc/41/37/89/563413789.db2.gz OPFLXNWXZBVMSH-ABAIWWIYSA-N 1 0 377.286 2.882 20 0 GFADRO C[C@H]([NH2+][C@H]1CCO[C@@H]1C1CC1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000375667672 563413948 /nfs/dbraw/zinc/41/39/48/563413948.db2.gz ZEBPZGHNKJKVJR-MIUALZABSA-N 1 0 379.309 2.859 20 0 GFADRO COCCCN(C1CC[NH+](C)CC1)S(=O)(=O)CCc1ccc(Cl)cc1 ZINC000425236105 563414136 /nfs/dbraw/zinc/41/41/36/563414136.db2.gz NTOBGYFMQXZJQN-UHFFFAOYSA-N 1 0 388.961 2.645 20 0 GFADRO O[C@H](COc1cccc(Br)c1)C[NH+]1CCC(c2cnccn2)CC1 ZINC000375703171 563414423 /nfs/dbraw/zinc/41/44/23/563414423.db2.gz VYKHCYGYZZUXKM-INIZCTEOSA-N 1 0 392.297 2.858 20 0 GFADRO COC[C@]1(CO)CCN(c2cc[nH+]c3cc(OC)c(Br)cc32)C1 ZINC000425272352 563416388 /nfs/dbraw/zinc/41/63/88/563416388.db2.gz WPQMSRSHCZGBFT-QGZVFWFLSA-N 1 0 381.270 2.841 20 0 GFADRO CNC(=O)NC1CCN(c2cc[nH+]c3cc(OC)c(Br)cc32)CC1 ZINC000425267388 563416416 /nfs/dbraw/zinc/41/64/16/563416416.db2.gz LJFGGVAGJQIOEC-UHFFFAOYSA-N 1 0 393.285 2.904 20 0 GFADRO Cc1ncc(C(=O)N2CCN(C3CC[NH+](C)CC3)[C@H](C)C2)c(Cl)c1Cl ZINC000375787776 563418445 /nfs/dbraw/zinc/41/84/45/563418445.db2.gz HIUVKSVVQRMVEL-GFCCVEGCSA-N 1 0 385.339 2.937 20 0 GFADRO CC[C@@H]1CN(c2ccnc3cc(Br)cnc32)CC[N@@H+]1C[C@@H](C)O ZINC000302080276 563419843 /nfs/dbraw/zinc/41/98/43/563419843.db2.gz BPOTZEQPXXKNDZ-TZMCWYRMSA-N 1 0 379.302 2.674 20 0 GFADRO C[N@H+]1CC=C(CNS(=O)(=O)c2ccc(Cl)cc2Br)CC1 ZINC000282656205 563420218 /nfs/dbraw/zinc/42/02/18/563420218.db2.gz PQALQYHBNBMBJF-UHFFFAOYSA-N 1 0 379.707 2.643 20 0 GFADRO CC(C)n1cc([C@@H](C)[NH2+]C[C@@H]2CCN(S(=O)(=O)c3cccs3)C2)cn1 ZINC000375840832 563420427 /nfs/dbraw/zinc/42/04/27/563420427.db2.gz QLPBYUQHHMGHGR-CABCVRRESA-N 1 0 382.555 2.887 20 0 GFADRO CC[C@@H](NC(=O)[C@@H](C)C1C[NH2+]C1)c1noc(-c2cccc(Br)c2)n1 ZINC000375912104 563423421 /nfs/dbraw/zinc/42/34/21/563423421.db2.gz MZFUHVNAWJYUHX-IINYFYTJSA-N 1 0 393.285 2.922 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CCNc1cc[nH+]cc1C(N)=O ZINC000302225211 563423624 /nfs/dbraw/zinc/42/36/24/563423624.db2.gz ONDRDWWLYMFRLD-UHFFFAOYSA-N 1 0 377.242 2.692 20 0 GFADRO COCC(C)(C)[NH+]1CCN(Cc2nc3cc(Br)ccc3[nH]2)CC1 ZINC000425505555 563425350 /nfs/dbraw/zinc/42/53/50/563425350.db2.gz NZUPFULVRHIUHF-UHFFFAOYSA-N 1 0 381.318 2.868 20 0 GFADRO COCC(C)(C)[NH+]1CCN(CCC(=O)Nc2cccc(Br)c2)CC1 ZINC000425503028 563425533 /nfs/dbraw/zinc/42/55/33/563425533.db2.gz IBUKKNSLKXKCSH-UHFFFAOYSA-N 1 0 398.345 2.820 20 0 GFADRO Cc1nc(NC(=O)C(=O)N[C@H](C[NH+](C)C)c2ccc(Cl)cc2)sc1C ZINC000282902430 563428985 /nfs/dbraw/zinc/42/89/85/563428985.db2.gz YYTCKFZMNOZSMH-CQSZACIVSA-N 1 0 380.901 2.771 20 0 GFADRO COc1ccc(Br)cc1CNC(=O)N1CCC[C@H]2C[N@H+](C)C[C@H]21 ZINC000425664687 563430062 /nfs/dbraw/zinc/43/00/62/563430062.db2.gz SWFUJSSHKMORQL-SWLSCSKDSA-N 1 0 382.302 2.693 20 0 GFADRO C[C@H]([NH2+]CC1(OCCO)CCOCC1)c1ccc(F)c(Br)c1 ZINC000282964156 563431037 /nfs/dbraw/zinc/43/10/37/563431037.db2.gz ZVXJSJLYSJYBSX-LBPRGKRZSA-N 1 0 376.266 2.797 20 0 GFADRO [NH3+]CCCN(CC(=O)Nc1ccc(Br)cn1)Cc1ccccc1 ZINC000303986259 563433531 /nfs/dbraw/zinc/43/35/31/563433531.db2.gz JCVPFDMFQRROFF-UHFFFAOYSA-N 1 0 377.286 2.634 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)Nc1ccn(CCC(F)(F)F)n1)c1ccsc1 ZINC000425752909 563435708 /nfs/dbraw/zinc/43/57/08/563435708.db2.gz BJWXDGGKTYOYTB-GFCCVEGCSA-N 1 0 375.420 3.321 20 0 GFADRO [NH3+]C[C@@H]1CN(Cc2ccc(Br)c(Br)c2)CCCO1 ZINC000313339363 563437699 /nfs/dbraw/zinc/43/76/99/563437699.db2.gz KQOSVOXXXKGJEF-LLVKDONJSA-N 1 0 378.108 2.761 20 0 GFADRO O[C@@H](C[N@@H+]1CCCC[C@@H]1Cn1ccnn1)c1ccc(F)c(Br)c1 ZINC000376332852 563438207 /nfs/dbraw/zinc/43/82/07/563438207.db2.gz CWWMTENOYYDRNR-CJNGLKHVSA-N 1 0 383.265 2.768 20 0 GFADRO CCS(=O)(=O)c1ccc(Cl)c(C(=O)N2CC[C@@H]([NH+]3CCCC3)[C@H]2C)c1 ZINC000376409812 563441386 /nfs/dbraw/zinc/44/13/86/563441386.db2.gz ALUQOKSKWKJZTO-CXAGYDPISA-N 1 0 384.929 2.832 20 0 GFADRO O=S(=O)(c1ccc(F)cc1Br)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000316847884 563441667 /nfs/dbraw/zinc/44/16/67/563441667.db2.gz MBERUNNCKHVLQC-CYBMUJFWSA-N 1 0 391.306 2.837 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)N[C@H]2CCN(c3cccc(Br)c3)C2)CC[N@@H+]1C ZINC000426065582 563442869 /nfs/dbraw/zinc/44/28/69/563442869.db2.gz BTNCEWWUHLPTCZ-BMFZPTHFSA-N 1 0 395.345 2.810 20 0 GFADRO [NH3+]CCCCc1cn(CC(=O)Nc2ccc(Br)cc2Cl)nn1 ZINC000318771598 563444325 /nfs/dbraw/zinc/44/43/25/563444325.db2.gz GMZXZISHONTCLG-UHFFFAOYSA-N 1 0 386.681 2.614 20 0 GFADRO CN(Cc1cc(Br)cs1)C(=O)C[N@H+](C)[C@@H]1CCCC[C@H]1O ZINC000426204158 563446357 /nfs/dbraw/zinc/44/63/57/563446357.db2.gz OAINBPKQIRWTBS-ZIAGYGMSSA-N 1 0 375.332 2.704 20 0 GFADRO Cc1ccc(CNC(=O)C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)s1 ZINC000283552422 563448134 /nfs/dbraw/zinc/44/81/34/563448134.db2.gz SKVZISMBJXAEHO-HNNXBMFYSA-N 1 0 377.535 2.688 20 0 GFADRO Cc1c(Br)cccc1CC(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000376630046 563449020 /nfs/dbraw/zinc/44/90/20/563449020.db2.gz YQBFMZLDTDCZLO-INIZCTEOSA-N 1 0 394.357 2.585 20 0 GFADRO COC(=O)c1ccc(CN[C@@H](C)C(=O)N2CCCCC2)c(Br)c1 ZINC000322795394 563450048 /nfs/dbraw/zinc/45/00/48/563450048.db2.gz AWNVUNIYEUWBMO-LBPRGKRZSA-N 1 0 383.286 2.726 20 0 GFADRO Cc1[nH]c(=O)c(Br)cc1C(=O)N1CCC([NH2+]C2CCCC2)CC1 ZINC000376685217 563451040 /nfs/dbraw/zinc/45/10/40/563451040.db2.gz FAQJBRQUZALUMW-UHFFFAOYSA-N 1 0 382.302 2.995 20 0 GFADRO Cc1ccc(C)c(OC[C@H](O)C[NH2+]CCCn2cc(Br)cn2)c1 ZINC000323592567 563451598 /nfs/dbraw/zinc/45/15/98/563451598.db2.gz FBRUYYAFLQLSAT-MRXNPFEDSA-N 1 0 382.302 2.682 20 0 GFADRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)NC[C@@H](O)c2cccc(Br)c2)C1 ZINC000283701173 563451926 /nfs/dbraw/zinc/45/19/26/563451926.db2.gz XHWBRSFOHPPFKI-RHSMWYFYSA-N 1 0 398.345 2.760 20 0 GFADRO O=C1C[C@H]([N@@H+]2CC[C@@]3(C2)CCCOC3)C(=O)N1c1ccc(Br)cc1 ZINC000376757983 563453497 /nfs/dbraw/zinc/45/34/97/563453497.db2.gz KDLCVXMRZDYWAM-MAUKXSAKSA-N 1 0 393.281 2.584 20 0 GFADRO O=C(N[C@H](c1cncc(Br)c1)C1CC1)N1CC[NH+]2CCC1CC2 ZINC000376990408 563460861 /nfs/dbraw/zinc/46/08/61/563460861.db2.gz AIQZHGWUEWIHEL-INIZCTEOSA-N 1 0 379.302 2.785 20 0 GFADRO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)Nc1cc(F)cc(Br)c1F ZINC000427131334 563460925 /nfs/dbraw/zinc/46/09/25/563460925.db2.gz QDLLUJYFBCMFCP-SECBINFHSA-N 1 0 392.244 2.512 20 0 GFADRO COc1ccc(Cl)cc1NC(=O)CC[NH2+][C@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000284083571 563463606 /nfs/dbraw/zinc/46/36/06/563463606.db2.gz LXAMXLRGGUGDCJ-KBPBESRZSA-N 1 0 388.917 2.623 20 0 GFADRO C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)C[C@@H]2CC[NH2+]C2)CC1 ZINC000427272379 563463919 /nfs/dbraw/zinc/46/39/19/563463919.db2.gz DQARMHWNKRMTDR-CABCVRRESA-N 1 0 380.330 2.654 20 0 GFADRO C[NH2+]CC1CCN(C(=O)C2CCN(C(=O)c3ccc(Cl)s3)CC2)CC1 ZINC000377117640 563464233 /nfs/dbraw/zinc/46/42/33/563464233.db2.gz AQQICNSGIKWANX-UHFFFAOYSA-N 1 0 383.945 2.712 20 0 GFADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)Nc1cc(F)c(Br)cc1F ZINC000377180018 563466027 /nfs/dbraw/zinc/46/60/27/563466027.db2.gz XAHVVGFSEIUOBV-UWVGGRQHSA-N 1 0 390.228 2.712 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)C[C@@H]1CCC[NH2+]CC1 ZINC000427352790 563466147 /nfs/dbraw/zinc/46/61/47/563466147.db2.gz SKSCMLHRTFLVRB-CQSZACIVSA-N 1 0 396.329 2.982 20 0 GFADRO Cc1cc(Br)ccc1C(=O)N1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000377256724 563468511 /nfs/dbraw/zinc/46/85/11/563468511.db2.gz MAFLZLKCTBDNPR-OAHLLOKOSA-N 1 0 394.357 2.998 20 0 GFADRO C[C@@H]1OCC[C@@]12CN(Cc1cc(Br)c3c(c1)OCCO3)CCO2 ZINC000377272231 563469177 /nfs/dbraw/zinc/46/91/77/563469177.db2.gz ANIUJRSNGLSZIT-YVEFUNNKSA-N 1 0 384.270 2.600 20 0 GFADRO CCC[N@@H+]1CCC[C@H]1C(=O)N(CCO)Cc1cc(Br)cs1 ZINC000427567025 563469304 /nfs/dbraw/zinc/46/93/04/563469304.db2.gz TXZAWXMJYDVSJO-AWEZNQCLSA-N 1 0 375.332 2.706 20 0 GFADRO COCC[C@H](Cc1cccc(Br)c1)C(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000427570933 563470113 /nfs/dbraw/zinc/47/01/13/563470113.db2.gz BFCFCVGYBGDXEI-FRFSOERESA-N 1 0 383.330 2.759 20 0 GFADRO CS(=O)(=O)N1CC[C@H](C[N@@H+]2CCCCC[C@@H]2C[C@H](O)c2cccs2)C1 ZINC000377289358 563470249 /nfs/dbraw/zinc/47/02/49/563470249.db2.gz ULDPQZAVHOTNJY-ZACQAIPSSA-N 1 0 386.583 2.698 20 0 GFADRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)CSCc1ccc(Br)cc1F ZINC000427597389 563470297 /nfs/dbraw/zinc/47/02/97/563470297.db2.gz UIVIRSCWQYZFBB-HZMBPMFUSA-N 1 0 375.307 2.936 20 0 GFADRO CN(Cc1ccc(Cl)s1)C(=O)C(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000284437241 563474958 /nfs/dbraw/zinc/47/49/58/563474958.db2.gz PAWAIARVTVXTOH-GFCCVEGCSA-N 1 0 385.942 2.841 20 0 GFADRO Cc1cc(Br)c(S(=O)(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)s1 ZINC000427809192 563476411 /nfs/dbraw/zinc/47/64/11/563476411.db2.gz YMDYGJSXGCCEFQ-AAEUAGOBSA-N 1 0 393.372 2.924 20 0 GFADRO O=S(=O)(c1cc(Cl)ccc1OCCC1CC1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000427955331 563478988 /nfs/dbraw/zinc/47/89/88/563478988.db2.gz AQPRDJYFFVHQFP-HOCLYGCPSA-N 1 0 384.929 2.891 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccn(-c2cccc(Br)c2)n1 ZINC000377574817 563479171 /nfs/dbraw/zinc/47/91/71/563479171.db2.gz ISGAHBRVFSEEQQ-HUUCEWRRSA-N 1 0 389.297 2.991 20 0 GFADRO O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1cnn(-c2cccc(Br)c2)c1 ZINC000377575002 563479332 /nfs/dbraw/zinc/47/93/32/563479332.db2.gz JSHAHJRPTGEZPJ-HOTGVXAUSA-N 1 0 389.297 2.991 20 0 GFADRO Cc1cc(Br)c2c(c1)CN(C(=O)[C@H](C)C[NH+]1CCOCC1)CC2 ZINC000428049953 563481723 /nfs/dbraw/zinc/48/17/23/563481723.db2.gz QOIOPQRIOPTNKM-CQSZACIVSA-N 1 0 381.314 2.611 20 0 GFADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1ncc(I)s1 ZINC000377660641 563482711 /nfs/dbraw/zinc/48/27/11/563482711.db2.gz YOYPFUSUGJUUPD-MNOVXSKESA-N 1 0 377.295 2.806 20 0 GFADRO CC(C)[N@@H+]1CCc2nc(CN3CC[C@H](C(F)(F)F)[C@@H](CO)C3)sc2C1 ZINC000377691463 563483386 /nfs/dbraw/zinc/48/33/86/563483386.db2.gz AAUVBFKIHSBYNA-OLZOCXBDSA-N 1 0 377.476 2.902 20 0 GFADRO OC[C@@H]1C[N@H+](C[C@H](O)COCc2cccs2)C[C@H]1c1ccc(Cl)cc1 ZINC000377733089 563484550 /nfs/dbraw/zinc/48/45/50/563484550.db2.gz SDUGUKDZBWBIJF-IEZWGBDMSA-N 1 0 381.925 2.987 20 0 GFADRO C[NH+](C)CC[C@@H](NC(=O)C(=O)Nc1nc(C(F)(F)F)cs1)C(C)(C)C ZINC000284683507 563485981 /nfs/dbraw/zinc/48/59/81/563485981.db2.gz HCQQXPDPOSDNKH-SECBINFHSA-N 1 0 380.436 2.583 20 0 GFADRO CN1C(=O)N[C@@]2(CCC[C@@H]2C[NH2+]Cc2csc(-c3ccsc3)n2)C1=O ZINC000377977664 563492749 /nfs/dbraw/zinc/49/27/49/563492749.db2.gz MKUVBPRNGBNGFP-SJKOYZFVSA-N 1 0 376.507 2.682 20 0 GFADRO CN(C)c1ncc(C[NH2+]C[C@@H](CO)Cc2ccccc2Br)s1 ZINC000428534771 563494690 /nfs/dbraw/zinc/49/46/90/563494690.db2.gz GDJBATYHTHLTQU-LBPRGKRZSA-N 1 0 384.343 2.912 20 0 GFADRO C[C@@H](NC(=O)C1CC[NH+](C)CC1)c1ccc(Br)cc1OCCCO ZINC000428576505 563495205 /nfs/dbraw/zinc/49/52/05/563495205.db2.gz AAFYTJVQNNHXFK-CYBMUJFWSA-N 1 0 399.329 2.729 20 0 GFADRO CNC(=O)c1ccc(C[NH2+]C[C@H](CO)Cc2ccc(Br)cc2)cc1 ZINC000428540581 563495633 /nfs/dbraw/zinc/49/56/33/563495633.db2.gz OGRIRVOUQCJLED-MRXNPFEDSA-N 1 0 391.309 2.750 20 0 GFADRO C[C@H](NC(=O)CCc1c[nH]cn1)c1ccc(Br)cc1OCCCO ZINC000428581192 563496311 /nfs/dbraw/zinc/49/63/11/563496311.db2.gz LOYULZFVYUFDEI-LBPRGKRZSA-N 1 0 396.285 2.743 20 0 GFADRO C[C@H](NC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C)c1ccc(Br)cc1OCCCO ZINC000428604325 563497422 /nfs/dbraw/zinc/49/74/22/563497422.db2.gz XBMPRDYVVZICKH-HEHGZKQESA-N 1 0 399.329 2.585 20 0 GFADRO C[C@H](NC(=O)[C@H]1C[N@H+](C)C[C@H]1C)c1ccc(Br)cc1OCCCO ZINC000428604327 563497557 /nfs/dbraw/zinc/49/75/57/563497557.db2.gz XBMPRDYVVZICKH-WWGRRREGSA-N 1 0 399.329 2.585 20 0 GFADRO O=C(NCc1cccs1)c1cc(NC(=O)[C@@]2(F)CC[NH2+]C2)ccc1Cl ZINC000378212054 563499136 /nfs/dbraw/zinc/49/91/36/563499136.db2.gz TUYJSGOOUNXDMT-QGZVFWFLSA-N 1 0 381.860 2.972 20 0 GFADRO CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)NCCc2c(Cl)cccc2Cl)C1 ZINC000285060929 563501661 /nfs/dbraw/zinc/50/16/61/563501661.db2.gz OOCGAMIHMDYZDA-CYBMUJFWSA-N 1 0 386.323 2.500 20 0 GFADRO CS(=O)(=O)[C@@H]1CCC[C@@H]([NH2+]CCc2nc(-c3cccc(Cl)c3)no2)C1 ZINC000285070510 563501720 /nfs/dbraw/zinc/50/17/20/563501720.db2.gz JFAARMIYKUZPLE-HUUCEWRRSA-N 1 0 383.901 2.878 20 0 GFADRO O=C(Nc1cnc2c(c1)C[NH2+]CC2)c1cc(Br)c2c(c1)OCCO2 ZINC000378402376 563505069 /nfs/dbraw/zinc/50/50/69/563505069.db2.gz WNYKIMNPGKCCHD-UHFFFAOYSA-N 1 0 390.237 2.513 20 0 GFADRO C[C@H](NC(=O)[C@H]1CCN(c2cc(Cl)ccc2Cl)C1=O)[C@@H]1CCC[NH2+]C1 ZINC000428977869 563505641 /nfs/dbraw/zinc/50/56/41/563505641.db2.gz NYOZIUCRMWYTIY-OUCADQQQSA-N 1 0 384.307 2.851 20 0 GFADRO CC(=O)N[C@H](CC(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1)c1ccc(Br)cc1 ZINC000428993776 563505974 /nfs/dbraw/zinc/50/59/74/563505974.db2.gz NTWGKKXWPSEAOU-XGWLTEMNSA-N 1 0 396.329 2.521 20 0 GFADRO CCOc1c(Br)cc(C(=O)N[C@@H](C)[C@H]2CCC[NH2+]C2)cc1OC ZINC000428996590 563506087 /nfs/dbraw/zinc/50/60/87/563506087.db2.gz SBGPXYKSSYXCKF-RYUDHWBXSA-N 1 0 385.302 2.974 20 0 GFADRO C[C@@H](NC(=O)Cc1csc(NC(=O)c2cccs2)n1)[C@H]1CCC[NH2+]C1 ZINC000429011954 563507178 /nfs/dbraw/zinc/50/71/78/563507178.db2.gz SZCPDCSMNNCLTE-NEPJUHHUSA-N 1 0 378.523 2.504 20 0 GFADRO O=S1(=O)CC[C@@]2(C1)C[C@@H]([NH2+]Cc1ccc(F)c(C(F)(F)F)c1)CCO2 ZINC000378457377 563507438 /nfs/dbraw/zinc/50/74/38/563507438.db2.gz DFHQWOQJMCLIFI-WFASDCNBSA-N 1 0 381.391 2.670 20 0 GFADRO C[C@H]([NH3+])CCNC(=O)c1cccn1-c1cccc(I)c1 ZINC000429054786 563509533 /nfs/dbraw/zinc/50/95/33/563509533.db2.gz RFLZKIVUBQEIOO-NSHDSACASA-N 1 0 383.233 2.549 20 0 GFADRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+][C@H](C)C(=O)Nc1ccc(C)cc1Br ZINC000330543196 563510235 /nfs/dbraw/zinc/51/02/35/563510235.db2.gz AVVLJNDDPKZJEI-YRGRVCCFSA-N 1 0 382.302 2.589 20 0 GFADRO CC(C)C[C@@](C)(C[NH3+])NC(=O)CCNC(=O)Nc1ccc(Br)cc1 ZINC000429136027 563510677 /nfs/dbraw/zinc/51/06/77/563510677.db2.gz VURCAUQGWFQUHM-KRWDZBQOSA-N 1 0 399.333 2.840 20 0 GFADRO CCc1nc(C(=O)N2CC[C@@H]([NH3+])[C@H](C)C2)nn1-c1c(Cl)cccc1Cl ZINC000429156655 563511166 /nfs/dbraw/zinc/51/11/66/563511166.db2.gz LSALOCGECCCUCJ-ZWNOBZJWSA-N 1 0 382.295 2.946 20 0 GFADRO CC(C)Cc1ncnc(N2CCC[C@@H]2C[NH+](C)C)c1I ZINC000429210602 563511930 /nfs/dbraw/zinc/51/19/30/563511930.db2.gz IOOGWIPSRASGCM-GFCCVEGCSA-N 1 0 388.297 2.810 20 0 GFADRO Cc1sc2nc(CS[C@@H](C)C(=O)NC[C@@H]([NH3+])C(C)C)[nH]c(=O)c2c1C ZINC000429195269 563511968 /nfs/dbraw/zinc/51/19/68/563511968.db2.gz VSTFCLXHBFRCLZ-NWDGAFQWSA-N 1 0 382.555 2.735 20 0 GFADRO CC(C)Cc1ncnc(N2CCC([NH+](C)C)CC2)c1I ZINC000429216161 563512711 /nfs/dbraw/zinc/51/27/11/563512711.db2.gz RQGSTZBCNHFITK-UHFFFAOYSA-N 1 0 388.297 2.810 20 0 GFADRO O[C@@H](COc1ccc(Br)cc1)C[N@@H+]1CCOC[C@@H](C2CCC2)C1 ZINC000429263911 563513588 /nfs/dbraw/zinc/51/35/88/563513588.db2.gz AYWBYEJMYQBHRD-DOTOQJQBSA-N 1 0 384.314 2.937 20 0 GFADRO Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NS(C)(=O)=O)cc1Br ZINC000330619449 563514150 /nfs/dbraw/zinc/51/41/50/563514150.db2.gz ZGPORLNFBSDHTM-HUUCEWRRSA-N 1 0 375.332 2.708 20 0 GFADRO COCC[C@H](Cc1cccc(Br)c1)C(=O)N1C[C@@H](C)[NH2+][C@H](C)C1 ZINC000429386750 563515694 /nfs/dbraw/zinc/51/56/94/563515694.db2.gz NKKMDVBRRLRFNH-IIAWOOMASA-N 1 0 383.330 2.853 20 0 GFADRO CC[C@@H]1CC[C@@H](C)[N@@H+]1CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000330645559 563515667 /nfs/dbraw/zinc/51/56/67/563515667.db2.gz GOIAQRBFXWDJFF-TZMCWYRMSA-N 1 0 387.933 2.792 20 0 GFADRO CNS(=O)(=O)CCC[NH2+][C@H]1c2cccc(Br)c2CC1(C)C ZINC000429391418 563516385 /nfs/dbraw/zinc/51/63/85/563516385.db2.gz ZUQJUDAEUYRBLC-AWEZNQCLSA-N 1 0 375.332 2.601 20 0 GFADRO C[C@@H]1C[C@@H](C)C[NH+](CCCNS(=O)(=O)c2cccnc2C(F)(F)F)C1 ZINC000330666380 563516826 /nfs/dbraw/zinc/51/68/26/563516826.db2.gz IBWANDUHFMSADO-CHWSQXEVSA-N 1 0 379.448 2.747 20 0 GFADRO CC[C@@](C)([NH3+])c1cn(CC(=O)N[C@@H](C)c2ccc(Br)cc2)nn1 ZINC000384135620 563517146 /nfs/dbraw/zinc/51/71/46/563517146.db2.gz DJJDGHAGOPVJCY-MEDUHNTESA-N 1 0 380.290 2.502 20 0 GFADRO COC(=O)CC1([NH2+]Cc2nc3cc(Br)ccc3o2)CCOCC1 ZINC000285369879 563517280 /nfs/dbraw/zinc/51/72/80/563517280.db2.gz BYEXENWLNMPXJE-UHFFFAOYSA-N 1 0 383.242 2.792 20 0 GFADRO CN(C1CC([NH3+])C1)S(=O)(=O)c1c(Cl)cc(Br)cc1Cl ZINC000384981535 563517919 /nfs/dbraw/zinc/51/79/19/563517919.db2.gz ZDKWXWRXBLADBF-UHFFFAOYSA-N 1 0 388.114 2.866 20 0 GFADRO O=S(=O)(c1ccc(F)cc1Br)N1CCCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000387839390 563519566 /nfs/dbraw/zinc/51/95/66/563519566.db2.gz FKADATJPKHCUQD-KGLIPLIRSA-N 1 0 391.306 2.883 20 0 GFADRO CS(=O)(=O)N[C@H]1CCCC[C@@H]1[NH2+]Cc1cccc(OCC(F)(F)F)c1 ZINC000429723449 563521015 /nfs/dbraw/zinc/52/10/15/563521015.db2.gz VBWPYXPTUHXQCH-GJZGRUSLSA-N 1 0 380.432 2.578 20 0 GFADRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)c1ccc(Br)cc1Br ZINC000389741736 563522201 /nfs/dbraw/zinc/52/22/01/563522201.db2.gz ZZCQHDSHMBFJNA-PRHODGIISA-N 1 0 376.092 2.939 20 0 GFADRO O=C(CC[N@H+]1CCC[C@@](O)(C(F)(F)F)CC1)N1CCc2sccc2C1 ZINC000285555245 563526561 /nfs/dbraw/zinc/52/65/61/563526561.db2.gz MROFKIBNUDEOHQ-INIZCTEOSA-N 1 0 376.444 2.802 20 0 GFADRO O=C(NC[C@H]1CCCN(C(=O)c2cc3sccc3s2)C1)[C@@H]1CCC[NH2+]1 ZINC000392785761 563527113 /nfs/dbraw/zinc/52/71/13/563527113.db2.gz LCPROVALRMWJHN-OLZOCXBDSA-N 1 0 377.535 2.683 20 0 GFADRO [NH3+][C@H]1CCCCCC[C@@H]1C(=O)NCCNC(=O)c1ccc(Br)cc1 ZINC000429963334 563529881 /nfs/dbraw/zinc/52/98/81/563529881.db2.gz DKSKDJIICGYOTB-HOTGVXAUSA-N 1 0 396.329 2.593 20 0 GFADRO COCC[C@@]1(C(=O)NCC2(c3ccccc3Br)CC2)CC[NH2+]C1 ZINC000429998138 563530820 /nfs/dbraw/zinc/53/08/20/563530820.db2.gz XAKRNKLUQSISAO-SFHVURJKSA-N 1 0 381.314 2.613 20 0 GFADRO Cc1cc(S(=O)(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)sc1Cl ZINC000330998580 563530994 /nfs/dbraw/zinc/53/09/94/563530994.db2.gz DITJXWMLMVDNJH-LLVKDONJSA-N 1 0 379.935 2.626 20 0 GFADRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)CCOc1ccccc1Br ZINC000331006087 563531124 /nfs/dbraw/zinc/53/11/24/563531124.db2.gz BONHKGOFUZVDFC-AWEZNQCLSA-N 1 0 399.329 2.522 20 0 GFADRO C[C@@H]1C[C@H](C)N(S(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)C[C@H]1C[NH3+] ZINC000397250781 563531475 /nfs/dbraw/zinc/53/14/75/563531475.db2.gz GQRSOKHTQSCTBL-OUAUKWLOSA-N 1 0 382.860 2.935 20 0 GFADRO Cc1cc(S(=O)(=O)N2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)sc1Br ZINC000397292553 563531604 /nfs/dbraw/zinc/53/16/04/563531604.db2.gz XWZINHUDUWEMEG-GDPRMGEGSA-N 1 0 381.361 2.813 20 0 GFADRO CS(=O)(=O)N1CCC[C@H]([NH2+][C@@H]2CCc3sc(Br)cc32)C1 ZINC000400123914 563534426 /nfs/dbraw/zinc/53/44/26/563534426.db2.gz BPERAMMIKHIFJN-GXSJLCMTSA-N 1 0 379.345 2.512 20 0 GFADRO Brc1cnc(N2CCO[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]32)nc1 ZINC000404162941 563537088 /nfs/dbraw/zinc/53/70/88/563537088.db2.gz SUFJWJJJCJLRKN-IRXDYDNUSA-N 1 0 389.297 2.719 20 0 GFADRO O[C@@]1(CC[NH2+]Cc2ccc(OC(F)(F)F)c(Br)c2)CCOC1 ZINC000404215204 563537148 /nfs/dbraw/zinc/53/71/48/563537148.db2.gz XCACDPKEWOBAAH-ZDUSSCGKSA-N 1 0 384.192 2.979 20 0 GFADRO [NH3+]CC1(CCNC(=O)c2ccc(I)c(Cl)c2)CC1 ZINC000404518385 563537190 /nfs/dbraw/zinc/53/71/90/563537190.db2.gz LDCBUISTOXOTJW-UHFFFAOYSA-N 1 0 378.641 2.803 20 0 GFADRO CC(=O)c1cc(Br)ccc1OCC(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000285804003 563537458 /nfs/dbraw/zinc/53/74/58/563537458.db2.gz MASHJTJFRLAYCA-BBRMVZONSA-N 1 0 395.297 2.583 20 0 GFADRO C[C@H](C(=O)NC[C@H](CO)Cc1ccc(Br)cc1)[NH+]1CCCCCC1 ZINC000430181595 563538720 /nfs/dbraw/zinc/53/87/20/563538720.db2.gz UMQNGEFGOAHRPP-NVXWUHKLSA-N 1 0 397.357 2.981 20 0 GFADRO COCC[C@@]1(C(=O)Nc2cc(-c3cc(Cl)cc(Cl)c3)[nH]n2)CC[NH2+]C1 ZINC000430222349 563538765 /nfs/dbraw/zinc/53/87/65/563538765.db2.gz FYLPXBHSQNMZON-KRWDZBQOSA-N 1 0 383.279 3.338 20 0 GFADRO CCCS(=O)(=O)Nc1cc(NC(=O)[C@H]2CCC[C@H]([NH3+])C2)c(F)cc1F ZINC000430231237 563539297 /nfs/dbraw/zinc/53/92/97/563539297.db2.gz XRYGHHRBMSCBSK-QWRGUYRKSA-N 1 0 375.441 2.573 20 0 GFADRO CC[C@@H]([NH3+])c1cn(Cc2cc(Cl)ccc2I)nn1 ZINC000405842029 563539351 /nfs/dbraw/zinc/53/93/51/563539351.db2.gz FYQKOBFSOZEEAF-LLVKDONJSA-N 1 0 376.629 2.994 20 0 GFADRO C[C@H](Cc1ccc(Br)cc1)[NH2+][C@@H]1CCCC[C@H]1NS(C)(=O)=O ZINC000331185906 563539391 /nfs/dbraw/zinc/53/93/91/563539391.db2.gz UNOKVYNYHBHPCD-DAXOMENPSA-N 1 0 389.359 2.830 20 0 GFADRO [NH3+][C@@H]1CC[C@H](C(=O)N2CCC(C(=O)Nc3cccc(Br)c3)CC2)C1 ZINC000430253458 563539444 /nfs/dbraw/zinc/53/94/44/563539444.db2.gz FCSSNVCCEQSJAR-DZGCQCFKSA-N 1 0 394.313 2.754 20 0 GFADRO CNC(=O)[C@]1(C)CC[N@@H+]([C@H](C)C(=O)Nc2ccc(Br)c(C)c2)C1 ZINC000430269172 563540439 /nfs/dbraw/zinc/54/04/39/563540439.db2.gz NFYDOMQRWDQDBV-SJKOYZFVSA-N 1 0 382.302 2.543 20 0 GFADRO CNC(=O)[C@@]1(C)CC[N@@H+]([C@@H](C)C(=O)Nc2ccc(Br)c(C)c2)C1 ZINC000430269171 563540494 /nfs/dbraw/zinc/54/04/94/563540494.db2.gz NFYDOMQRWDQDBV-SJCJKPOMSA-N 1 0 382.302 2.543 20 0 GFADRO O=C(C[C@H]1C[NH2+]CCO1)NCCCCSc1ccccc1Br ZINC000430382519 563543126 /nfs/dbraw/zinc/54/31/26/563543126.db2.gz DIBLZEJPLVFBNL-ZDUSSCGKSA-N 1 0 387.343 2.816 20 0 GFADRO COc1ccc(S(=O)(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)cc1Br ZINC000331297763 563544251 /nfs/dbraw/zinc/54/42/51/563544251.db2.gz UUPFJJKGHOBPGL-NSHDSACASA-N 1 0 393.347 2.712 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCCN(Cc2csc(-c3ccc(S(C)(=O)=O)cc3)n2)C1 ZINC000430553126 563545414 /nfs/dbraw/zinc/54/54/14/563545414.db2.gz KUTBXZCRZYFELH-DZGCQCFKSA-N 1 0 379.551 2.773 20 0 GFADRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)Cc2cc[nH]c(=O)c2Br)C1 ZINC000331324227 563545619 /nfs/dbraw/zinc/54/56/19/563545619.db2.gz MUSAQHAHKIKBAI-ZDUSSCGKSA-N 1 0 384.318 2.576 20 0 GFADRO C[C@H]1CCCN(Cc2nc(Cc3cccc(Br)c3)no2)[C@@H]1C[NH3+] ZINC000430594577 563545721 /nfs/dbraw/zinc/54/57/21/563545721.db2.gz GNNDEPSGCGQWCW-SWLSCSKDSA-N 1 0 379.302 2.982 20 0 GFADRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)Cc1cc[nH]c(=O)c1Br ZINC000331333980 563545973 /nfs/dbraw/zinc/54/59/73/563545973.db2.gz WKELIXVJBQYTHZ-FRRDWIJNSA-N 1 0 384.318 2.575 20 0 GFADRO CN(Cc1nnnn1-c1ccc(Cl)cc1C(F)(F)F)CC(C)(C)C[NH3+] ZINC000430572390 563546218 /nfs/dbraw/zinc/54/62/18/563546218.db2.gz OBJNJHLNVJLVBY-UHFFFAOYSA-N 1 0 376.814 2.751 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N2CCC[C@]3(CC[NH2+]C3)C2)c(Br)c1 ZINC000331376714 563547842 /nfs/dbraw/zinc/54/78/42/563547842.db2.gz DZKBNCSSWVPLTK-GOSISDBHSA-N 1 0 394.313 2.607 20 0 GFADRO CO[C@@H]1C[C@H]([NH2+][C@@H](C)c2ccc(Br)c(S(N)(=O)=O)c2)C1(C)C ZINC000430712961 563548074 /nfs/dbraw/zinc/54/80/74/563548074.db2.gz IVRGEIMRGMDJLQ-QCZZGDTMSA-N 1 0 391.331 2.561 20 0 GFADRO C[C@@H]([NH2+][C@@H](CCO)C(C)(C)C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430747924 563548962 /nfs/dbraw/zinc/54/89/62/563548962.db2.gz NTDWNSLKUACVKG-YGRLFVJLSA-N 1 0 393.347 2.544 20 0 GFADRO O=C(COC1C[NH2+]C1)Nc1ccc(Oc2cccc(Br)c2)nc1 ZINC000430884456 563549595 /nfs/dbraw/zinc/54/95/95/563549595.db2.gz WYPNYJPWALDDGB-UHFFFAOYSA-N 1 0 378.226 2.563 20 0 GFADRO O=S(=O)(c1ccc(OC(F)F)c(Cl)c1)N1CCC2(CC[NH2+]C2)CC1 ZINC000431034958 563552193 /nfs/dbraw/zinc/55/21/93/563552193.db2.gz PPBCDJRSFUTITM-UHFFFAOYSA-N 1 0 380.844 2.706 20 0 GFADRO COc1cc(Cl)c(S(=O)(=O)N2CCC3(CC[NH2+]C3)CC2)cc1Cl ZINC000431030748 563552443 /nfs/dbraw/zinc/55/24/43/563552443.db2.gz QPMFUDKELFBRJU-UHFFFAOYSA-N 1 0 379.309 2.766 20 0 GFADRO C[N@H+](CCOc1ccc(Br)cc1)C[C@H](O)COCC(F)(F)F ZINC000431121130 563554276 /nfs/dbraw/zinc/55/42/76/563554276.db2.gz WPEOVLUIVUIAMY-LBPRGKRZSA-N 1 0 386.208 2.700 20 0 GFADRO Cc1[nH]c(=O)c(Br)cc1C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000286273894 563554354 /nfs/dbraw/zinc/55/43/54/563554354.db2.gz CBIFEFKVPQTLHR-ZDUSSCGKSA-N 1 0 382.302 2.949 20 0 GFADRO COC(=O)[C@@]1(C(F)(F)F)CCN(C[C@H](O)c2cccc(Br)c2)C1 ZINC000286284267 563555084 /nfs/dbraw/zinc/55/50/84/563555084.db2.gz BUFZJKOYRMDDIO-GXTWGEPZSA-N 1 0 396.203 2.910 20 0 GFADRO O[C@H](COc1ccc(Br)cc1)C[N@@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000431173304 563555658 /nfs/dbraw/zinc/55/56/58/563555658.db2.gz PUEQILKZCDPEJN-MAUKXSAKSA-N 1 0 393.281 2.737 20 0 GFADRO O=C(C[NH2+][C@@H]1CCC[C@H]1CCO)Nc1c(F)cc(F)cc1Br ZINC000286301122 563555897 /nfs/dbraw/zinc/55/58/97/563555897.db2.gz VOXLPOOZBAGQCE-TVQRCGJNSA-N 1 0 377.229 2.807 20 0 GFADRO CCS(=O)(=O)c1ccc(C[NH2+][C@H](C)c2ccccc2-n2ccnn2)s1 ZINC000286369520 563557657 /nfs/dbraw/zinc/55/76/57/563557657.db2.gz ADVRYBKHAMHFBM-CYBMUJFWSA-N 1 0 376.507 2.973 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@H](NC(=O)N[C@@H]2COc3cc(F)c(Br)cc32)C1 ZINC000331685370 563557692 /nfs/dbraw/zinc/55/76/92/563557692.db2.gz VAGNGVRDYITNTG-IMSIIYSGSA-N 1 0 386.265 2.804 20 0 GFADRO COC(=O)c1cc(S(=O)(=O)N2CCC[C@H]([NH+]3[C@@H](C)CC[C@@H]3C)C2)cs1 ZINC000331761945 563561160 /nfs/dbraw/zinc/56/11/60/563561160.db2.gz BHCRSNRSCGLWAN-IHRRRGAJSA-N 1 0 386.539 2.561 20 0 GFADRO O=C(Nc1cc(Cl)ccc1Cl)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000331780068 563561772 /nfs/dbraw/zinc/56/17/72/563561772.db2.gz HKEIRYICSDQPJI-LBPRGKRZSA-N 1 0 385.295 2.669 20 0 GFADRO COc1cc(/C=C/C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@H]32)cc(Br)c1O ZINC000286563037 563565311 /nfs/dbraw/zinc/56/53/11/563565311.db2.gz XVQXURWCSORNJD-MXKYZYEVSA-N 1 0 395.297 2.729 20 0 GFADRO COc1cc(/C=C/C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)cc(Br)c1O ZINC000286563006 563565374 /nfs/dbraw/zinc/56/53/74/563565374.db2.gz XVQXURWCSORNJD-CSDYLXSXSA-N 1 0 395.297 2.729 20 0 GFADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)c1cccn1-c1c(Cl)cccc1Cl ZINC000409682205 563568024 /nfs/dbraw/zinc/56/80/24/563568024.db2.gz DHXSCSPKOIFGAW-ZDUSSCGKSA-N 1 0 381.307 2.760 20 0 GFADRO O=C(N[C@@H](CO)c1cccc(Cl)c1F)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000331984079 563569796 /nfs/dbraw/zinc/56/97/96/563569796.db2.gz YNKGZGJYLCELPX-BBRMVZONSA-N 1 0 386.920 2.846 20 0 GFADRO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc(C(=O)OC)s1 ZINC000431894922 563570962 /nfs/dbraw/zinc/57/09/62/563570962.db2.gz VWRKZBNFBZNGDN-KBPBESRZSA-N 1 0 388.555 2.714 20 0 GFADRO O=C([C@H]1CC[N@@H+](Cc2cc3c(c(Br)c2)OCO3)C1)N1CCCC1 ZINC000286705113 563571490 /nfs/dbraw/zinc/57/14/90/563571490.db2.gz AHKACGQCGIKQPX-ZDUSSCGKSA-N 1 0 381.270 2.622 20 0 GFADRO COC(=O)c1cc(NC(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)ccc1Br ZINC000332063426 563573504 /nfs/dbraw/zinc/57/35/04/563573504.db2.gz QSBYZENQBQEOGK-GJZGRUSLSA-N 1 0 396.285 2.984 20 0 GFADRO C[C@@H]([NH2+][C@@H]1CC(=O)N(C)[C@H]1c1ccnn1C)c1ccccc1Br ZINC000332054230 563573571 /nfs/dbraw/zinc/57/35/71/563573571.db2.gz YEYSGSFWXLTXFJ-JDSLSITLSA-N 1 0 377.286 2.805 20 0 GFADRO Cc1cc(Br)c(S(=O)(=O)N2CCN(C)c3cc[nH+]cc32)s1 ZINC000332076048 563574824 /nfs/dbraw/zinc/57/48/24/563574824.db2.gz YEHWITFNGCVJGN-UHFFFAOYSA-N 1 0 388.312 2.859 20 0 GFADRO C[C@H]1[NH2+]CCC[C@H]1C(=O)N1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000332098172 563576172 /nfs/dbraw/zinc/57/61/72/563576172.db2.gz CWSNSVGFLVDLSY-MLGOLLRUSA-N 1 0 384.307 2.666 20 0 GFADRO O=C(Nc1ccc(Br)c(F)c1)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000332110569 563577045 /nfs/dbraw/zinc/57/70/45/563577045.db2.gz AUXNIMAYTZSWFJ-CYBMUJFWSA-N 1 0 398.276 2.614 20 0 GFADRO C[C@H]1C[N@H+](CCCNS(=O)(=O)c2cc(Cl)cc(Cl)c2)CCCO1 ZINC000432326685 563581078 /nfs/dbraw/zinc/58/10/78/563581078.db2.gz CNBVAZMOJXOUGF-LBPRGKRZSA-N 1 0 381.325 2.773 20 0 GFADRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)CSCc1ccc(Br)cc1F ZINC000432530109 563586157 /nfs/dbraw/zinc/58/61/57/563586157.db2.gz FLWBGNTWEICRBY-HZMBPMFUSA-N 1 0 375.307 2.936 20 0 GFADRO CC1(C)C[NH2+]CC[C@@H]1NC(=O)c1cc(=O)[nH]c2c(Br)cccc12 ZINC000332305566 563591719 /nfs/dbraw/zinc/59/17/19/563591719.db2.gz FZAXPJLZODZZPF-ZDUSSCGKSA-N 1 0 378.270 2.821 20 0 GFADRO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NCc1nn(C)cc1Br ZINC000432802765 563594112 /nfs/dbraw/zinc/59/41/12/563594112.db2.gz DZOGBTRKNCTFHL-CJNGLKHVSA-N 1 0 378.318 2.578 20 0 GFADRO C[C@H]1C[NH+](CCC2CCN(Cc3nn(C)cc3Br)CC2)C[C@H](C)O1 ZINC000432835300 563594786 /nfs/dbraw/zinc/59/47/86/563594786.db2.gz HBISJALIQZVKPS-GJZGRUSLSA-N 1 0 399.377 2.894 20 0 GFADRO COCCCN(C(=O)c1nc(C)sc1Br)C1CC[NH+](C)CC1 ZINC000410878690 563598858 /nfs/dbraw/zinc/59/88/58/563598858.db2.gz ZHEGMKHERINNLK-UHFFFAOYSA-N 1 0 390.347 2.787 20 0 GFADRO C[N@H+](C[C@@H](O)COc1ccc(Br)cc1)C[C@@H](O)Cc1ccccc1 ZINC000433045090 563600919 /nfs/dbraw/zinc/60/09/19/563600919.db2.gz DEKFLDSUUQMCRO-ZWKOTPCHSA-N 1 0 394.309 2.724 20 0 GFADRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N1CCC(Oc2cccc(Br)c2)CC1 ZINC000332513370 563602416 /nfs/dbraw/zinc/60/24/16/563602416.db2.gz FPSJCSVLNPFRIG-DYVFJYSZSA-N 1 0 396.329 3.000 20 0 GFADRO CCOC(=O)C[C@@H](NC(=O)[C@H](C[NH3+])C(C)C)c1ccc(Br)cc1 ZINC000433150354 563604848 /nfs/dbraw/zinc/60/48/48/563604848.db2.gz GDGVHXGIZKASAN-HUUCEWRRSA-N 1 0 385.302 2.791 20 0 GFADRO C[C@@H]1CN(C(=O)C(=O)N2CCc3c(Cl)cc(Cl)cc3[C@H]2C)CC[C@H]1[NH3+] ZINC000332581289 563605645 /nfs/dbraw/zinc/60/56/45/563605645.db2.gz GENPIDAGRXJMGL-GLKRBJQHSA-N 1 0 384.307 2.635 20 0 GFADRO OCC[N@H+](C[C@H](O)COc1c(Cl)cccc1Cl)[C@@H]1CCCSC1 ZINC000433198274 563605783 /nfs/dbraw/zinc/60/57/83/563605783.db2.gz XOKMRZFUQPZRAG-OLZOCXBDSA-N 1 0 380.337 2.923 20 0 GFADRO O=C(C[N@@H+](CCO)[C@H]1CCCSC1)NCCc1cccc(Cl)c1Cl ZINC000433213124 563606888 /nfs/dbraw/zinc/60/68/88/563606888.db2.gz NMFBDAZXUQXINB-AWEZNQCLSA-N 1 0 391.364 2.842 20 0 GFADRO CC(C)[C@H]1CN([C@H]2CCN(c3cccc(Br)c3)C2=O)CC[N@@H+]1C ZINC000433240315 563607381 /nfs/dbraw/zinc/60/73/81/563607381.db2.gz AQRMYCHZAQCSIB-DLBZAZTESA-N 1 0 380.330 2.826 20 0 GFADRO Cn1cc(Br)c(C(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)n1 ZINC000433242153 563607616 /nfs/dbraw/zinc/60/76/16/563607616.db2.gz PUZOIBWQDRUWCV-LBPRGKRZSA-N 1 0 397.342 2.886 20 0 GFADRO C[C@@H]1CN(C(=O)C(=O)N2CCc3cc(Cl)c(Cl)cc3[C@@H]2C)CC[C@H]1[NH3+] ZINC000332634119 563608848 /nfs/dbraw/zinc/60/88/48/563608848.db2.gz VJRQOAIKDSECON-OHUAYANFSA-N 1 0 384.307 2.635 20 0 GFADRO C[N@H+](CCO)C1CCN(Cc2c(F)c(F)c(Br)c(F)c2F)CC1 ZINC000411240961 563611261 /nfs/dbraw/zinc/61/12/61/563611261.db2.gz OOSQKJAOJHLGTL-UHFFFAOYSA-N 1 0 399.226 2.894 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)N[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000332716877 563613301 /nfs/dbraw/zinc/61/33/01/563613301.db2.gz ZLSQIBJHZZSVEJ-JLJPHGGASA-N 1 0 395.345 2.939 20 0 GFADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)NCC(F)(F)Br ZINC000287697686 563614006 /nfs/dbraw/zinc/61/40/06/563614006.db2.gz NLXSXSNTCJNTJV-UHFFFAOYSA-N 1 0 391.260 2.856 20 0 GFADRO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(Cc2cc3c(cc2Br)OCO3)CC1 ZINC000333078304 563619509 /nfs/dbraw/zinc/61/95/09/563619509.db2.gz AGRLGWGQQKJSNG-CRAIPNDOSA-N 1 0 397.313 2.896 20 0 GFADRO COc1cc(Br)cc(NC(=O)N2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)c1 ZINC000333127540 563621460 /nfs/dbraw/zinc/62/14/60/563621460.db2.gz JDBPIBWEJBMVLG-CVEARBPZSA-N 1 0 398.301 2.818 20 0 GFADRO [NH3+][C@H]1CCCO[C@@H]1C1CCN(C(=O)Nc2cncc(Br)c2)CC1 ZINC000333173039 563623484 /nfs/dbraw/zinc/62/34/84/563623484.db2.gz QFBWSUWHSLEDPZ-LSDHHAIUSA-N 1 0 383.290 2.594 20 0 GFADRO CCO[C@H]1COCC[C@@H]1[NH2+]CCC(=O)Nc1ccc(Br)cc1F ZINC000411557835 563623675 /nfs/dbraw/zinc/62/36/75/563623675.db2.gz KLUFQRYWTYJHLK-GJZGRUSLSA-N 1 0 389.265 2.700 20 0 GFADRO CC(C)[N@@H+]1CCCN(C(=O)Cc2ccccc2I)CC1 ZINC000433933762 563623755 /nfs/dbraw/zinc/62/37/55/563623755.db2.gz WROACYHWMUDNLO-UHFFFAOYSA-N 1 0 386.277 2.776 20 0 GFADRO [NH3+][C@@H]1CCO[C@H](C2CCN(Cc3cnc4ccc(Br)cn34)CC2)C1 ZINC000333201651 563623808 /nfs/dbraw/zinc/62/38/08/563623808.db2.gz XYOHGCIPWPDACA-WBVHZDCISA-N 1 0 393.329 2.815 20 0 GFADRO C[C@@H]1C[N@@H+](CCCNC(=O)NCc2cc(F)c(Cl)cc2F)C[C@H](C)O1 ZINC000433987298 563624900 /nfs/dbraw/zinc/62/49/00/563624900.db2.gz DCZXBNKLHWGGAF-TXEJJXNPSA-N 1 0 375.847 2.917 20 0 GFADRO [NH3+]C1(CNC(=O)Nc2ccncc2Br)C2CC3CC(C2)CC1C3 ZINC000333218348 563624916 /nfs/dbraw/zinc/62/49/16/563624916.db2.gz VWNJQWBZCKPROM-UHFFFAOYSA-N 1 0 379.302 2.541 20 0 GFADRO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(C(=O)Cc2ccc(Br)c(F)c2)CC1 ZINC000333221968 563624938 /nfs/dbraw/zinc/62/49/38/563624938.db2.gz ADKNWOUGJJHPOL-SJLPKXTDSA-N 1 0 399.304 2.876 20 0 GFADRO CC[NH+](CC)Cc1cccc(NC(=O)C(=O)NCC(F)(F)Br)c1 ZINC000287981150 563625202 /nfs/dbraw/zinc/62/52/02/563625202.db2.gz JGQJOUGXIWVPIO-UHFFFAOYSA-N 1 0 392.244 2.571 20 0 GFADRO Cc1ncc(Br)cc1NC(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000333257344 563626029 /nfs/dbraw/zinc/62/60/29/563626029.db2.gz DKTLGAPAFJLBGS-HIFRSBDPSA-N 1 0 383.290 2.513 20 0 GFADRO O=C(Nc1nnc(-c2ccc(Cl)cc2F)s1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000333267008 563626042 /nfs/dbraw/zinc/62/60/42/563626042.db2.gz FOMZLJKNDLKTFM-TVQRCGJNSA-N 1 0 381.864 3.213 20 0 GFADRO CC(C)[NH+]1CCC(NC(=O)CN[C@H](CO)c2c(Cl)cccc2Cl)CC1 ZINC000411662367 563628139 /nfs/dbraw/zinc/62/81/39/563628139.db2.gz NMILULBNOMJAKL-MRXNPFEDSA-N 1 0 388.339 2.605 20 0 GFADRO COCC[N@H+](CCC(=O)Nc1ccc(Br)cc1)[C@@H]1CCO[C@@H]1C ZINC000411658439 563628472 /nfs/dbraw/zinc/62/84/72/563628472.db2.gz WMRULHDIKKPFGY-CZUORRHYSA-N 1 0 385.302 2.904 20 0 GFADRO [NH3+][C@@H]1CCO[C@H](C2CCN(C(=O)c3ccc(Br)c(F)c3)CC2)C1 ZINC000333337508 563628929 /nfs/dbraw/zinc/62/89/29/563628929.db2.gz XHVYNUOZCADWFP-CJNGLKHVSA-N 1 0 385.277 2.947 20 0 GFADRO C[NH+](C)C[C@@H](NC(=O)c1c[nH]c(=O)c(Br)c1)c1ccc(F)cc1 ZINC000288135157 563630051 /nfs/dbraw/zinc/63/00/51/563630051.db2.gz KEHDJPDDVXKVDG-CQSZACIVSA-N 1 0 382.233 2.722 20 0 GFADRO COC(=O)c1cc(C[N@@H+]2CCC[C@@H](CNC(=O)CC(F)(F)F)C2)cs1 ZINC000411716623 563630786 /nfs/dbraw/zinc/63/07/86/563630786.db2.gz FRPSBVUGVKNAMV-NSHDSACASA-N 1 0 378.416 2.815 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000434559724 563632502 /nfs/dbraw/zinc/63/25/02/563632502.db2.gz XISPGJJSWFMMIM-HNNXBMFYSA-N 1 0 394.313 2.829 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1ncc(C(C)(C)C)s1)c1cccs1 ZINC000434659790 563634693 /nfs/dbraw/zinc/63/46/93/563634693.db2.gz URVABKSORHOSRB-NSHDSACASA-N 1 0 380.539 2.860 20 0 GFADRO C[C@H]1Cc2cc(-c3csc(C4CC[NH2+]CC4)n3)ccc2N1S(C)(=O)=O ZINC000434658416 563634709 /nfs/dbraw/zinc/63/47/09/563634709.db2.gz DEVMMVOMTRKQFD-LBPRGKRZSA-N 1 0 377.535 2.988 20 0 GFADRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)N[C@@H]3CCN(c4ccc(Cl)cc4Cl)C3)C[C@H]12 ZINC000333628425 563637410 /nfs/dbraw/zinc/63/74/10/563637410.db2.gz SLMKQEHGKLSSKJ-OEYIWLLWSA-N 1 0 383.323 2.951 20 0 GFADRO Cc1cc(NC(=O)C(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)ccc1Br ZINC000288322333 563638252 /nfs/dbraw/zinc/63/82/52/563638252.db2.gz ZQOZKZAKQVDRPV-YIONKMFJSA-N 1 0 394.313 2.780 20 0 GFADRO C[C@H](NC(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)c1ccc(Br)cn1 ZINC000333664123 563638416 /nfs/dbraw/zinc/63/84/16/563638416.db2.gz XKCLUNIJLRIXJP-MJBXVCDLSA-N 1 0 381.318 2.936 20 0 GFADRO Brc1cccc2c1OCCC[C@@H]2[NH2+][C@H]1CCc2nnnn2CC1 ZINC000333711974 563639805 /nfs/dbraw/zinc/63/98/05/563639805.db2.gz IMSLLUAWDPEPSJ-FZMZJTMJSA-N 1 0 378.274 2.644 20 0 GFADRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(C(=O)Cc2cc[nH]c(=O)c2Br)C1 ZINC000333705249 563639998 /nfs/dbraw/zinc/63/99/98/563639998.db2.gz LEDCSRMIPAEEME-NFAWXSAZSA-N 1 0 396.329 2.956 20 0 GFADRO CC(C)(C)c1ccc(S(=O)(=O)N2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)s1 ZINC000333716628 563640100 /nfs/dbraw/zinc/64/01/00/563640100.db2.gz TXUMJEVZKHIQJR-HUUCEWRRSA-N 1 0 386.583 2.953 20 0 GFADRO O=C(N[C@H]1COc2cc(F)c(Br)cc21)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000333741323 563640380 /nfs/dbraw/zinc/64/03/80/563640380.db2.gz IWUSIRCPUCDJQJ-WMLDXEAASA-N 1 0 398.276 2.807 20 0 GFADRO O=C(N[C@@H]1C[C@H]1c1ccc(Br)cc1)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000333740509 563640598 /nfs/dbraw/zinc/64/05/98/563640598.db2.gz ITWXPTGKAASDMR-LYHPXFHOSA-N 1 0 378.314 2.992 20 0 GFADRO O[C@H](COc1ccc(Br)cc1)C[N@@H+]1C[C@H](O)C[C@@H]1c1ccccc1 ZINC000411908450 563641245 /nfs/dbraw/zinc/64/12/45/563641245.db2.gz DJXLRXIYNQOKJC-ZIFCJYIRSA-N 1 0 392.293 2.997 20 0 GFADRO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(S(=O)(=O)c2c(Cl)ccc(F)c2F)CC1 ZINC000333754565 563641340 /nfs/dbraw/zinc/64/13/40/563641340.db2.gz ZNINODCXCJVKCW-UKRRQHHQSA-N 1 0 394.871 2.525 20 0 GFADRO NC(=O)[C@]1(c2ccccc2)CC[N@H+](CCOc2cccc(Br)c2)C1 ZINC000411971216 563643296 /nfs/dbraw/zinc/64/32/96/563643296.db2.gz SUXJGSPHMPMJAD-LJQANCHMSA-N 1 0 389.293 2.957 20 0 GFADRO O=C(C[NH2+][C@H](CO)[C@H]1CCCOC1)Nc1ccc(Cl)cc1C(F)(F)F ZINC000411991457 563643360 /nfs/dbraw/zinc/64/33/60/563643360.db2.gz JELUHNMWTDVNLJ-IINYFYTJSA-N 1 0 380.794 2.674 20 0 GFADRO C[C@@H](NC(=O)[C@H](C)[NH2+][C@H](CO)[C@@H]1CCCOC1)c1ccc(Cl)cc1Cl ZINC000411986135 563643443 /nfs/dbraw/zinc/64/34/43/563643443.db2.gz FAZZHUQYIYZHQW-IPJQOSJUSA-N 1 0 389.323 2.936 20 0 GFADRO CN(Cc1c(F)cccc1Cl)S(=O)(=O)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000333851755 563643621 /nfs/dbraw/zinc/64/36/21/563643621.db2.gz NSEZKVGSIIMQFM-SUMWQHHRSA-N 1 0 389.924 2.620 20 0 GFADRO COc1ccc(Br)c(C(=O)N2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)c1 ZINC000333867224 563643843 /nfs/dbraw/zinc/64/38/43/563643843.db2.gz TZIYLWNVVVUSPU-IRXDYDNUSA-N 1 0 397.313 2.816 20 0 GFADRO C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H](CCO)c1ccc(Cl)c(Cl)c1 ZINC000288471401 563644579 /nfs/dbraw/zinc/64/45/79/563644579.db2.gz QMHQOSQBEBVIAK-LRDDRELGSA-N 1 0 375.296 2.501 20 0 GFADRO O=C(c1ccc(Cl)c(I)c1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000435231782 563645837 /nfs/dbraw/zinc/64/58/37/563645837.db2.gz ZRDBSFRNYUYIAY-NSHDSACASA-N 1 0 390.652 2.911 20 0 GFADRO C[C@H]1CS(=O)(=O)C[C@H]1[NH2+]Cc1ccc(Br)c(Br)c1 ZINC000288511688 563646333 /nfs/dbraw/zinc/64/63/33/563646333.db2.gz IXABGPYTBDVQGF-QPUJVOFHSA-N 1 0 397.132 2.734 20 0 GFADRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)N[C@H]3CCOc4ccc(Br)cc43)C[C@@H]12 ZINC000333947854 563646602 /nfs/dbraw/zinc/64/66/02/563646602.db2.gz VUUIPZVTUXNLAE-QZKOUSHUSA-N 1 0 380.286 2.651 20 0 GFADRO CC(C)[N@H+](C[C@@H](O)COc1c(Cl)cccc1Cl)C[C@@H]1CCC(=O)N1 ZINC000412080912 563647896 /nfs/dbraw/zinc/64/78/96/563647896.db2.gz ODLQDZQIUREJGJ-QWHCGFSZSA-N 1 0 375.296 2.722 20 0 GFADRO C[C@H]1C[N@H+](CCCNS(=O)(=O)c2c(Cl)cc(F)cc2Cl)CCCO1 ZINC000435424259 563649530 /nfs/dbraw/zinc/64/95/30/563649530.db2.gz UMVWDHWKFUHNFR-NSHDSACASA-N 1 0 399.315 2.912 20 0 GFADRO CC[C@H]1CN(C(=O)N[C@H](C)c2ccc(Br)cn2)CC[N@@H+]1CCOC ZINC000334064804 563651120 /nfs/dbraw/zinc/65/11/20/563651120.db2.gz QKIVFYVROWBXCE-HIFRSBDPSA-N 1 0 399.333 2.657 20 0 GFADRO CNc1cc(I)ccc1C(=O)NCC1([NH+](C)C)CCC1 ZINC000412264538 563651850 /nfs/dbraw/zinc/65/18/50/563651850.db2.gz BBROYRINJUHFOB-UHFFFAOYSA-N 1 0 387.265 2.547 20 0 GFADRO C[NH+](C)CCCOc1cnccc1CNC(=O)c1occc1Br ZINC000288756655 563655646 /nfs/dbraw/zinc/65/56/46/563655646.db2.gz ROXYTGUKYPSCFW-UHFFFAOYSA-N 1 0 382.258 2.698 20 0 GFADRO CN(CC1CC[NH+](C)CC1)C(=O)C(C)(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000288757720 563655651 /nfs/dbraw/zinc/65/56/51/563655651.db2.gz CFBKZXSQNUTNPR-UHFFFAOYSA-N 1 0 386.945 2.693 20 0 GFADRO COc1cccc([C@@H](CNC(=O)c2ncsc2Br)[NH+](C)C)c1 ZINC000288785672 563657008 /nfs/dbraw/zinc/65/70/08/563657008.db2.gz YUVSLGVJBUALEF-GFCCVEGCSA-N 1 0 384.299 2.947 20 0 GFADRO CN(CC[NH2+]Cc1cnc(C(C)(C)C)s1)S(=O)(=O)c1ccc(F)cc1 ZINC000435751511 563657910 /nfs/dbraw/zinc/65/79/10/563657910.db2.gz SHZNIJKQZQIYTR-UHFFFAOYSA-N 1 0 385.530 2.990 20 0 GFADRO COC(=O)CC[C@@H]([NH3+])C(=O)N1CCC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000288816525 563658154 /nfs/dbraw/zinc/65/81/54/563658154.db2.gz TVXJTKQDSUJEEE-SWLSCSKDSA-N 1 0 389.279 2.644 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000435888263 563660088 /nfs/dbraw/zinc/66/00/88/563660088.db2.gz MDGUFEKBOQBCTR-FZKQIMNGSA-N 1 0 394.313 2.544 20 0 GFADRO Brc1ccn2cc(-c3nc([C@@H]4C[N@@H+]5CCC[C@H]5CO4)no3)nc2c1 ZINC000288952307 563662730 /nfs/dbraw/zinc/66/27/30/563662730.db2.gz BDZICAJIEBISMI-AAEUAGOBSA-N 1 0 390.241 2.683 20 0 GFADRO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)C[NH2+][C@H](C)Cn1cccn1 ZINC000436117661 563664919 /nfs/dbraw/zinc/66/49/19/563664919.db2.gz YLBUJMLKCBJMPT-SNVBAGLBSA-N 1 0 385.251 2.593 20 0 GFADRO COc1ccc(C[NH2+]CCCNC(=O)c2ccc(Br)cc2)cn1 ZINC000436234389 563668428 /nfs/dbraw/zinc/66/84/28/563668428.db2.gz XLSCWJRMODHYKJ-UHFFFAOYSA-N 1 0 378.270 2.762 20 0 GFADRO CC1CC[NH+](CCNC(=O)Nc2cnc3c(Br)cccn23)CC1 ZINC000436497142 563672076 /nfs/dbraw/zinc/67/20/76/563672076.db2.gz KVNLSUSQAITCJI-UHFFFAOYSA-N 1 0 380.290 2.950 20 0 GFADRO CC(C)C(=O)NC1CCN(Cc2nc3ccccn3c2Br)CC1 ZINC000289224076 563672335 /nfs/dbraw/zinc/67/23/35/563672335.db2.gz XWMGSGVCORQJET-UHFFFAOYSA-N 1 0 379.302 2.833 20 0 GFADRO Cc1ccc(OC(F)F)c(C[N@H+]2CCC[C@H](CN(C)S(C)(=O)=O)C2)c1 ZINC000289552076 563677623 /nfs/dbraw/zinc/67/76/23/563677623.db2.gz RDILGXGEARIODN-CQSZACIVSA-N 1 0 376.469 2.700 20 0 GFADRO C[C@@H](NC(=O)C(=O)N(C)Cc1c(Cl)cccc1Cl)C1=CC[N@H+](C)CC1 ZINC000289684773 563682668 /nfs/dbraw/zinc/68/26/68/563682668.db2.gz OAATYHHIALHKHL-GFCCVEGCSA-N 1 0 384.307 2.718 20 0 GFADRO COCc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)Cc1ccc(F)cc1Br)CC2 ZINC000289743239 563685241 /nfs/dbraw/zinc/68/52/41/563685241.db2.gz NJNAHZJGXLUKHH-FZMZJTMJSA-N 1 0 397.292 2.862 20 0 GFADRO C[C@@H](Cc1ccc(F)cc1Br)[NH2+][C@H]1CCN(c2cnn(C)c2)C1=O ZINC000289750387 563685372 /nfs/dbraw/zinc/68/53/72/563685372.db2.gz NUHVRHQNZGSPCP-ZBEGNZNMSA-N 1 0 395.276 2.648 20 0 GFADRO COC(=O)Cn1cc(CC[NH2+]C(C)(C)c2ccc(Br)c(C)c2)nn1 ZINC000289789989 563686690 /nfs/dbraw/zinc/68/66/90/563686690.db2.gz HQTPFQVWZMRDSP-UHFFFAOYSA-N 1 0 395.301 2.589 20 0 GFADRO COC(=O)[C@@H]1CN(C(=O)N[C@H](C)c2cccc(Cl)c2Cl)CC[N@H+](C)C1 ZINC000413285984 563687959 /nfs/dbraw/zinc/68/79/59/563687959.db2.gz YMAWGBIXJSWQFX-NEPJUHHUSA-N 1 0 388.295 2.801 20 0 GFADRO COC(=O)CC[C@@H]([NH3+])C(=O)NCCSCc1ccc(Cl)cc1Cl ZINC000289851653 563688536 /nfs/dbraw/zinc/68/85/36/563688536.db2.gz KSQCKOZBNZLCLV-CYBMUJFWSA-N 1 0 379.309 2.623 20 0 GFADRO COc1cc(CNC(=O)[C@@H]2CC[NH2+][C@@H]2C(C)C)cc(Br)c1OC ZINC000289862579 563689545 /nfs/dbraw/zinc/68/95/45/563689545.db2.gz GOUYJBQWYUJACI-IUODEOHRSA-N 1 0 385.302 2.717 20 0 GFADRO Cc1cc(Br)ccc1C(=O)N1CCC[C@@H](C[NH+]2CCN(C)CC2)C1 ZINC000360246123 563692017 /nfs/dbraw/zinc/69/20/17/563692017.db2.gz JLHNIMNDXJBWMY-INIZCTEOSA-N 1 0 394.357 2.857 20 0 GFADRO Cc1c(Br)cccc1NC(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000360535089 563692796 /nfs/dbraw/zinc/69/27/96/563692796.db2.gz AAYNMVORHJFWHF-CVEARBPZSA-N 1 0 382.302 2.820 20 0 GFADRO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]C[C@H]1CN2CCC[C@@H]2CO1 ZINC000360890182 563695186 /nfs/dbraw/zinc/69/51/86/563695186.db2.gz XTXNEHNNCQLOMZ-XYPHTWIQSA-N 1 0 396.329 2.619 20 0 GFADRO O=C1C[C@@H]([C@@H]2CCCC[N@H+]2Cc2cnc3ccc(Br)cn23)CN1 ZINC000360810031 563695395 /nfs/dbraw/zinc/69/53/95/563695395.db2.gz NQRIBEDIHCWCML-DOMZBBRYSA-N 1 0 377.286 2.587 20 0 GFADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1cc2cc(Br)ccc2o1 ZINC000360939242 563695960 /nfs/dbraw/zinc/69/59/60/563695960.db2.gz BTHURKVCJHNBSJ-ZIAGYGMSSA-N 1 0 379.254 2.788 20 0 GFADRO C[C@H]1CN(C(=O)c2cc(Cl)c(N)c(Cl)c2)CCN1C1CC[NH+](C)CC1 ZINC000361085472 563697093 /nfs/dbraw/zinc/69/70/93/563697093.db2.gz FVKQBBHABHUMCT-LBPRGKRZSA-N 1 0 385.339 2.816 20 0 GFADRO COCc1ccc(C[NH2+]C2CCN(S(=O)(=O)c3cccs3)CC2)cc1 ZINC000361461326 563699991 /nfs/dbraw/zinc/69/99/91/563699991.db2.gz ITKMUNVYJUQLHI-UHFFFAOYSA-N 1 0 380.535 2.837 20 0 GFADRO Cc1ccc(Br)c(C(=O)N2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)c1 ZINC000362065754 563703351 /nfs/dbraw/zinc/70/33/51/563703351.db2.gz LGTFYPFHDXGIPM-QAPCUYQASA-N 1 0 394.357 2.856 20 0 GFADRO C[C@@H](O)C[N@@H+]1CCN(C(=O)N[C@@H]2C[C@H]2c2ccc(Cl)cc2Cl)C[C@H]1C ZINC000438370933 563704835 /nfs/dbraw/zinc/70/48/35/563704835.db2.gz KRSAOBYXBHGWSO-BKBUGSPTSA-N 1 0 386.323 2.946 20 0 GFADRO CS(=O)(=O)N[C@@H]1CCC[C@@H]1C[NH2+]C1CCN(c2ccc(Cl)cc2)CC1 ZINC000362303122 563705024 /nfs/dbraw/zinc/70/50/24/563705024.db2.gz ITSPYCYMOGFEGB-RDTXWAMCSA-N 1 0 385.961 2.616 20 0 GFADRO O=C1[C@@H]([NH2+][C@@H]2CCc3c2cc(Br)cc3F)CCN1C1CCOCC1 ZINC000362303222 563705122 /nfs/dbraw/zinc/70/51/22/563705122.db2.gz JSMURCCPRWCNBI-SJORKVTESA-N 1 0 397.288 2.945 20 0 GFADRO CCS(=O)(=O)NCCC[NH2+][C@@H](c1cc(Cl)ccc1Cl)[C@@H]1CCOC1 ZINC000362281833 563705387 /nfs/dbraw/zinc/70/53/87/563705387.db2.gz KWDUABJJTNJAHF-MLGOLLRUSA-N 1 0 395.352 2.990 20 0 GFADRO CCS(=O)(=O)NCCC[NH2+][C@H](c1cc(Cl)ccc1Cl)[C@H]1CCOC1 ZINC000362281831 563705411 /nfs/dbraw/zinc/70/54/11/563705411.db2.gz KWDUABJJTNJAHF-LRDDRELGSA-N 1 0 395.352 2.990 20 0 GFADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc(I)c(F)c3)C[C@H]21 ZINC000362474370 563707586 /nfs/dbraw/zinc/70/75/86/563707586.db2.gz RZBPQKQOQBWVEM-QMTHXVAHSA-N 1 0 388.224 2.597 20 0 GFADRO Cc1ncc(NC(=O)C(=O)Nc2ccc(OCC[NH+](C)C)c(Cl)c2)s1 ZINC000438670108 563708925 /nfs/dbraw/zinc/70/89/25/563708925.db2.gz VBWMDRCMLHGUKH-UHFFFAOYSA-N 1 0 382.873 2.623 20 0 GFADRO COC(=O)[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2Cl)CC[N@H+](C)C1 ZINC000413922197 563711012 /nfs/dbraw/zinc/71/10/12/563711012.db2.gz PGALMBKPTBHBLW-BYCMXARLSA-N 1 0 385.291 2.660 20 0 GFADRO CC(C)[NH2+]C1CCN(Cc2cn(-c3ccccc3Br)nn2)CC1 ZINC000290540827 563713337 /nfs/dbraw/zinc/71/33/37/563713337.db2.gz VZWJSEPMXKKOLV-UHFFFAOYSA-N 1 0 378.318 2.992 20 0 GFADRO CNC(=O)C1CCN(C(=O)C2CC[NH+](Cc3ccc(Cl)s3)CC2)CC1 ZINC000363059891 563713694 /nfs/dbraw/zinc/71/36/94/563713694.db2.gz MVGOOVYTBNTGFA-UHFFFAOYSA-N 1 0 383.945 2.598 20 0 GFADRO CS(=O)(=O)Nc1ccc(-c2csc([C@H]3C[N@@H+]4CCC[C@H]4CO3)n2)cc1 ZINC000363099741 563714138 /nfs/dbraw/zinc/71/41/38/563714138.db2.gz XQFFGBOIJSSARL-GOEBONIOSA-N 1 0 379.507 2.717 20 0 GFADRO Cc1ccc(Br)cc1CNC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000439048035 563716050 /nfs/dbraw/zinc/71/60/50/563716050.db2.gz ATZPQOPHYFXVSQ-QGZVFWFLSA-N 1 0 398.345 2.914 20 0 GFADRO C[C@H](C[C@@H](O)c1cccs1)[NH2+][C@@H]1CCCc2ccc(S(N)(=O)=O)cc21 ZINC000290630597 563716145 /nfs/dbraw/zinc/71/61/45/563716145.db2.gz IYJOSPFKQNTIHL-CSMYWGQOSA-N 1 0 380.535 2.875 20 0 GFADRO CSC[C@H](CCO)NC(=O)NC[C@H]1CC[N@H+](C)[C@@H]1c1cccc(Cl)c1 ZINC000363251927 563717256 /nfs/dbraw/zinc/71/72/56/563717256.db2.gz MBSATGYJEFNJKL-HYVNUMGLSA-N 1 0 385.961 2.746 20 0 GFADRO C[C@@H](COCC(F)(F)F)NC(=O)NC1CC[NH+](Cc2ccsc2)CC1 ZINC000363220509 563717332 /nfs/dbraw/zinc/71/73/32/563717332.db2.gz DJJHYLDQJSCCAP-LBPRGKRZSA-N 1 0 379.448 2.979 20 0 GFADRO CCCOc1ccc(C[NH2+][C@@H](C)Cn2cc(Br)ccc2=O)cn1 ZINC000414078710 563718248 /nfs/dbraw/zinc/71/82/48/563718248.db2.gz BMPLVFSDLDBQHJ-ZDUSSCGKSA-N 1 0 380.286 2.973 20 0 GFADRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)N2CCC(n3cc(Br)cn3)CC2)C1 ZINC000363311076 563718726 /nfs/dbraw/zinc/71/87/26/563718726.db2.gz QKNXEOHLEGDETB-ZBFHGGJFSA-N 1 0 398.349 2.865 20 0 GFADRO CC[C@@H]1C[N@H+](C)CCCN1S(=O)(=O)c1cc(Br)ccc1F ZINC000439213283 563719599 /nfs/dbraw/zinc/71/95/99/563719599.db2.gz MCAFJTCSZPUJDV-GFCCVEGCSA-N 1 0 379.295 2.693 20 0 GFADRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2S(=O)(=O)c2ccc(F)cc2Br)C1 ZINC000363331468 563719908 /nfs/dbraw/zinc/71/99/08/563719908.db2.gz JOSBNTIUIAFXCZ-FZMZJTMJSA-N 1 0 391.306 2.693 20 0 GFADRO Cc1cccc2c1OC[C@H]([NH2+][C@H](C)Cn1cc(Br)ccc1=O)C2 ZINC000414148596 563721018 /nfs/dbraw/zinc/72/10/18/563721018.db2.gz SWZZHDWVFUHYCO-CZUORRHYSA-N 1 0 377.282 2.901 20 0 GFADRO OCC[N@H+](CCCOc1cccc(I)c1)C1CCC1 ZINC000439282162 563721156 /nfs/dbraw/zinc/72/11/56/563721156.db2.gz GVMHOPWJKTZCMO-UHFFFAOYSA-N 1 0 375.250 2.907 20 0 GFADRO O=C(NC[C@@H]1CCC[N@H+](Cc2cccnc2)C1)c1ccc(Br)cn1 ZINC000363399542 563721255 /nfs/dbraw/zinc/72/12/55/563721255.db2.gz ZUIOKASCNJLDTK-HNNXBMFYSA-N 1 0 389.297 2.881 20 0 GFADRO C[C@@H]([NH2+]C[C@@H](CO)Cc1cc(F)cc(Br)c1)c1ccc(=O)[nH]n1 ZINC000414190562 563722039 /nfs/dbraw/zinc/72/20/39/563722039.db2.gz RIIIKSKKYWOORW-PWSUYJOCSA-N 1 0 384.249 2.586 20 0 GFADRO C[C@H]1C[N@@H+](C2CCN(C(=O)c3cc(F)cc(Br)c3)CC2)CCO1 ZINC000363433535 563722622 /nfs/dbraw/zinc/72/26/22/563722622.db2.gz DBCXKEMTPMXGHD-LBPRGKRZSA-N 1 0 385.277 2.914 20 0 GFADRO O=S1(=O)CCCN1CC[NH+]1CCC(c2cccc(Br)c2)CC1 ZINC000439322881 563722807 /nfs/dbraw/zinc/72/28/07/563722807.db2.gz QBYSONASAXFWMI-UHFFFAOYSA-N 1 0 387.343 2.664 20 0 GFADRO C[C@H]1CC[N@H+](C)CCN1C(=O)C(=O)Nc1ccc(Br)c(Cl)c1 ZINC000439340040 563722968 /nfs/dbraw/zinc/72/29/68/563722968.db2.gz HXISWFPDKFDGPL-JTQLQIEISA-N 1 0 388.693 2.594 20 0 GFADRO C[C@H]([NH2+]C[C@H]1C[C@@H](C)O[C@H]1C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000414261780 563724135 /nfs/dbraw/zinc/72/41/35/563724135.db2.gz OELQPMZISRPRAX-MPPDQPJWSA-N 1 0 391.331 2.561 20 0 GFADRO C[C@@]1(CCCO)CCC[N@@H+]1C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000439434930 563724591 /nfs/dbraw/zinc/72/45/91/563724591.db2.gz FXEADTZJHUYQCC-RDJZCZTQSA-N 1 0 390.293 2.955 20 0 GFADRO CN(CCC[NH2+]Cc1ccc(S(N)(=O)=O)c(Cl)c1)c1ccccc1F ZINC000414329143 563727051 /nfs/dbraw/zinc/72/70/51/563727051.db2.gz ZLZMENTYIOCKJQ-UHFFFAOYSA-N 1 0 385.892 2.743 20 0 GFADRO CN(C)c1ncc(C[NH2+][C@@H]2CCN(c3ccc(Br)cc3)C2)n1C ZINC000414328080 563727132 /nfs/dbraw/zinc/72/71/32/563727132.db2.gz PQFLLOSETJOXDV-CQSZACIVSA-N 1 0 378.318 2.617 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC3)C2)c(Br)c1 ZINC000439592931 563728735 /nfs/dbraw/zinc/72/87/35/563728735.db2.gz FCZPYTKRMPYJIW-AWEZNQCLSA-N 1 0 394.313 2.700 20 0 GFADRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)c3c(F)cccc3I)C[C@@H]21 ZINC000363651386 563728939 /nfs/dbraw/zinc/72/89/39/563728939.db2.gz KUWFPXBNMFPFOZ-OUJBWJOFSA-N 1 0 388.224 2.630 20 0 GFADRO COCCC[N@@H+]1CCCN([C@H](C)C(=O)Nc2cccc(Br)c2)CC1 ZINC000363637794 563729271 /nfs/dbraw/zinc/72/92/71/563729271.db2.gz DHCOVFHOWSFSLX-OAHLLOKOSA-N 1 0 398.345 2.820 20 0 GFADRO CO[C@](C)(C[NH2+][C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1)C1CC1 ZINC000291109283 563731560 /nfs/dbraw/zinc/73/15/60/563731560.db2.gz FIIVOEZSCDMSSZ-ZUZCIYMTSA-N 1 0 391.331 2.562 20 0 GFADRO O=C(CCc1cc(F)ccc1Br)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000363730640 563731836 /nfs/dbraw/zinc/73/18/36/563731836.db2.gz QCWWMXUSDSNSNE-MRXNPFEDSA-N 1 0 399.304 2.890 20 0 GFADRO O=C(NCCCCC[NH+]1CCCCC1)c1nc2ccc(Br)cn2n1 ZINC000414396900 563733574 /nfs/dbraw/zinc/73/35/74/563733574.db2.gz GQTYGVLHHDWUHC-UHFFFAOYSA-N 1 0 394.317 2.878 20 0 GFADRO C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)CN1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000363917822 563737200 /nfs/dbraw/zinc/73/72/00/563737200.db2.gz AXYAJOYXLMZWCI-MAUKXSAKSA-N 1 0 381.973 2.983 20 0 GFADRO COC(=O)[C@](C)(C[NH2+]Cc1ccc(S(C)(=O)=O)s1)c1ccc(F)cc1 ZINC000414444881 563738445 /nfs/dbraw/zinc/73/84/45/563738445.db2.gz LQELTXRMHMZMHO-QGZVFWFLSA-N 1 0 385.482 2.511 20 0 GFADRO C[NH+](C)CCN(C1CC1)S(=O)(=O)c1cc(Br)cc2cccnc21 ZINC000414457843 563740048 /nfs/dbraw/zinc/74/00/48/563740048.db2.gz GUFDJGJTEGXLGX-UHFFFAOYSA-N 1 0 398.326 2.712 20 0 GFADRO CCn1cc(Br)cc1C(=O)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000364052534 563741368 /nfs/dbraw/zinc/74/13/68/563741368.db2.gz DPMBZLHQVNXXFP-UHFFFAOYSA-N 1 0 398.345 2.845 20 0 GFADRO O=C(c1cc(Br)c2c(c1)OCCO2)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000364066561 563742198 /nfs/dbraw/zinc/74/21/98/563742198.db2.gz DRFWAQOUZHCZQG-ZDUSSCGKSA-N 1 0 381.270 2.531 20 0 GFADRO O[C@H](Cn1cccn1)C[N@@H+]1CCC[C@@H]1c1ccccc1I ZINC000364067030 563742503 /nfs/dbraw/zinc/74/25/03/563742503.db2.gz QVLHRPZZWOZSPI-XJKSGUPXSA-N 1 0 397.260 2.686 20 0 GFADRO O=C1C[C@@H](C[NH2+]Cc2cc(Br)ccc2OCc2ccccn2)CN1 ZINC000414476915 563743477 /nfs/dbraw/zinc/74/34/77/563743477.db2.gz AIPTZWAGDQDVNS-ZDUSSCGKSA-N 1 0 390.281 2.649 20 0 GFADRO CC(C)c1nn(-c2ccc(Br)cc2)cc1C[NH2+]C[C@H]1CNC(=O)C1 ZINC000414478434 563743505 /nfs/dbraw/zinc/74/35/05/563743505.db2.gz FDDVCNXKPHPANT-ZDUSSCGKSA-N 1 0 391.313 2.984 20 0 GFADRO Cc1cc(Br)oc1C(=O)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000440517816 563743855 /nfs/dbraw/zinc/74/38/55/563743855.db2.gz QWWOYXQMOTULNV-GOSISDBHSA-N 1 0 393.281 2.717 20 0 GFADRO C[C@@H]([NH3+])C1CCN(C(=O)[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)CC1 ZINC000364118899 563743970 /nfs/dbraw/zinc/74/39/70/563743970.db2.gz IDRIPKSEEKGTQW-RISCZKNCSA-N 1 0 384.307 2.932 20 0 GFADRO C[C@H]([NH3+])C1CCN(C(=O)[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)CC1 ZINC000364118898 563744087 /nfs/dbraw/zinc/74/40/87/563744087.db2.gz IDRIPKSEEKGTQW-FZMZJTMJSA-N 1 0 384.307 2.932 20 0 GFADRO CN(C)C(=O)C1([NH2+]Cc2ccc(Br)c(Br)c2)CC1 ZINC000414489111 563744512 /nfs/dbraw/zinc/74/45/12/563744512.db2.gz SHYZKSXLLPXNEA-UHFFFAOYSA-N 1 0 376.092 2.922 20 0 GFADRO CN(C)C(=O)[C@@H]1CC[N@H+](Cc2cc(Br)c3c(c2)OCCCO3)C1 ZINC000414502844 563745282 /nfs/dbraw/zinc/74/52/82/563745282.db2.gz VGGYTHYMGCHFNV-CYBMUJFWSA-N 1 0 383.286 2.521 20 0 GFADRO CCC(CC)[C@H](CNC(=O)C(=O)Nc1ncc(C(F)(F)F)s1)[NH+](C)C ZINC000291505809 563745441 /nfs/dbraw/zinc/74/54/41/563745441.db2.gz OEDNUDLTCYBLFS-JTQLQIEISA-N 1 0 380.436 2.583 20 0 GFADRO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@H](CO)[C@@H]1CCCOC1 ZINC000414551166 563746072 /nfs/dbraw/zinc/74/60/72/563746072.db2.gz JRBPYEFPXLRCMB-XJKCOSOUSA-N 1 0 385.302 2.543 20 0 GFADRO CCOc1cc(C[NH2+]CC2(CS(C)(=O)=O)CCC2)ccc1OC(F)F ZINC000414565006 563746915 /nfs/dbraw/zinc/74/69/15/563746915.db2.gz YCHOOHVYPIQORN-UHFFFAOYSA-N 1 0 377.453 2.991 20 0 GFADRO COc1ccc(CNC(=O)[C@]2([NH3+])[C@@H]3CCCO[C@H]3C2(C)C)cc1Br ZINC000364219684 563747059 /nfs/dbraw/zinc/74/70/59/563747059.db2.gz WRODTOVPXXJJHQ-CDHAZOANSA-N 1 0 397.313 2.606 20 0 GFADRO [NH3+][C@H]1CCC[C@@]12CCN(C(=O)c1c(F)cccc1I)C2 ZINC000364264004 563747784 /nfs/dbraw/zinc/74/77/84/563747784.db2.gz XVKRGBRXJKIVJJ-WFASDCNBSA-N 1 0 388.224 2.774 20 0 GFADRO CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]CC1(O)Cc2ccccc2C1 ZINC000364314605 563749249 /nfs/dbraw/zinc/74/92/49/563749249.db2.gz LPILPJLPAVDLEY-UHFFFAOYSA-N 1 0 379.909 2.753 20 0 GFADRO O=S(=O)(NCC[C@H]1CCC[NH2+]C1)c1cc(Cl)ccc1Br ZINC000440743790 563749550 /nfs/dbraw/zinc/74/95/50/563749550.db2.gz BKBYDJCVYFUTJD-SNVBAGLBSA-N 1 0 381.723 2.771 20 0 GFADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)[C@@H](C)c1cccc(Br)c1 ZINC000291598169 563749622 /nfs/dbraw/zinc/74/96/22/563749622.db2.gz BSQSELHQEJLXOZ-CABCVRRESA-N 1 0 382.346 2.695 20 0 GFADRO [NH3+]CC[C@H]1CCCN(S(=O)(=O)c2ccc(Br)c(Cl)c2)C1 ZINC000440802829 563750376 /nfs/dbraw/zinc/75/03/76/563750376.db2.gz SEUGGPVXEBXTFT-SNVBAGLBSA-N 1 0 381.723 2.852 20 0 GFADRO [NH3+]C[C@H](NS(=O)(=O)c1cc(Cl)ccc1Br)C1CCCC1 ZINC000440829771 563750929 /nfs/dbraw/zinc/75/09/29/563750929.db2.gz BJVJCNQCILDPKK-LBPRGKRZSA-N 1 0 381.723 2.898 20 0 GFADRO C[NH2+]Cc1ccccc1NC(=O)C(=O)N(C)Cc1ccc(Br)s1 ZINC000414706815 563751109 /nfs/dbraw/zinc/75/11/09/563751109.db2.gz BDLWKBYWJDFYAQ-UHFFFAOYSA-N 1 0 396.310 2.827 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H]2CN(S(=O)(=O)c3ccc(Cl)cc3Br)C[C@H]21 ZINC000440838798 563751522 /nfs/dbraw/zinc/75/15/22/563751522.db2.gz VZJMKFPDOHOWRO-IRUJWGPZSA-N 1 0 393.734 2.850 20 0 GFADRO COc1ccc(S(=O)(=O)N2CCC3(C2)CC[NH2+]CC3)c(Cl)c1Cl ZINC000440840016 563751828 /nfs/dbraw/zinc/75/18/28/563751828.db2.gz AIRFDLHELLNGFB-UHFFFAOYSA-N 1 0 379.309 2.766 20 0 GFADRO Cc1ccc(Cc2cnc(NC(=O)N3CCO[C@H](C[NH3+])C3)s2)cc1Cl ZINC000414742229 563751848 /nfs/dbraw/zinc/75/18/48/563751848.db2.gz SZBVZCPJIRHWSC-CYBMUJFWSA-N 1 0 380.901 2.887 20 0 GFADRO COc1cc(Cl)c(S(=O)(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)cc1OC ZINC000440837223 563751845 /nfs/dbraw/zinc/75/18/45/563751845.db2.gz JBWNNVWVIKIQEK-AWEZNQCLSA-N 1 0 388.917 2.510 20 0 GFADRO COc1ccc([C@H]2CC[NH2+]C[C@H]2NS(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000440856988 563752403 /nfs/dbraw/zinc/75/24/03/563752403.db2.gz RULLBVACMFGXNJ-QZTJIDSGSA-N 1 0 380.897 2.773 20 0 GFADRO COc1ccc([C@@H]2CC[NH2+]C[C@H]2NS(=O)(=O)c2cccc(Cl)c2)cc1 ZINC000440865304 563753277 /nfs/dbraw/zinc/75/32/77/563753277.db2.gz ORQHMDGYLRQPNZ-ZWKOTPCHSA-N 1 0 380.897 2.773 20 0 GFADRO C[C@@](C[NH3+])(NC(=O)Nc1cc(Br)ccc1N1CCOCC1)C1CC1 ZINC000414926767 563754279 /nfs/dbraw/zinc/75/42/79/563754279.db2.gz KTVLVUKIWGPUGA-KRWDZBQOSA-N 1 0 397.317 2.535 20 0 GFADRO [NH3+]C[C@@H]1CCCCN1C(=O)Nc1cc(Br)ccc1N1CCOCC1 ZINC000414927193 563754399 /nfs/dbraw/zinc/75/43/99/563754399.db2.gz LOVKUBUZCNJLGE-AWEZNQCLSA-N 1 0 397.317 2.631 20 0 GFADRO CN(CC(C)(C)C[NH3+])C(=O)Nc1cc(Br)ccc1N1CCOCC1 ZINC000414929271 563754604 /nfs/dbraw/zinc/75/46/04/563754604.db2.gz OFJXGBVCMHWDTE-UHFFFAOYSA-N 1 0 399.333 2.734 20 0 GFADRO Cn1ncc(Br)c1CN[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000414959739 563755652 /nfs/dbraw/zinc/75/56/52/563755652.db2.gz QFEOMJZASPDGSK-IAQYHMDHSA-N 1 0 385.256 2.696 20 0 GFADRO NC(=O)N1CCC([NH2+][C@@H]2CCCN(c3ccc(Cl)cc3Cl)C2=O)CC1 ZINC000364521406 563755918 /nfs/dbraw/zinc/75/59/18/563755918.db2.gz YCFPJHRYOQVGTL-CQSZACIVSA-N 1 0 385.295 2.622 20 0 GFADRO O=C(c1ccco1)N1CCCN(C[C@@H](O)c2cccc(Br)c2)CC1 ZINC000364522172 563756054 /nfs/dbraw/zinc/75/60/54/563756054.db2.gz APQVJZZPEZPFBD-MRXNPFEDSA-N 1 0 393.281 2.924 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1Br ZINC000364516787 563756064 /nfs/dbraw/zinc/75/60/64/563756064.db2.gz GWBSDJWKKZYGTP-KBPBESRZSA-N 1 0 394.313 2.747 20 0 GFADRO COc1cc(Br)c(NC(=O)N[C@@H](CC[NH3+])C(F)F)cc1OC ZINC000414990345 563756341 /nfs/dbraw/zinc/75/63/41/563756341.db2.gz IOGZHUIBLLSOMJ-QMMMGPOBSA-N 1 0 382.205 2.570 20 0 GFADRO CCOc1cc(CN[C@@H]2[C@H]3C[NH2+]C[C@H]32)cc(Br)c1OC(F)F ZINC000415032082 563757275 /nfs/dbraw/zinc/75/72/75/563757275.db2.gz HIOQXZXGGNAKPS-IWIIMEHWSA-N 1 0 377.229 2.757 20 0 GFADRO COc1ccc(I)c(NC(=O)N[C@H]2CC[NH2+]C2(C)C)c1 ZINC000415067167 563757807 /nfs/dbraw/zinc/75/78/07/563757807.db2.gz BTVITKLOIYROAT-LBPRGKRZSA-N 1 0 389.237 2.562 20 0 GFADRO CC(C)c1nn(-c2ccc(Br)cc2)cc1CN(C)C[C@H](O)C[NH3+] ZINC000415064858 563757967 /nfs/dbraw/zinc/75/79/67/563757967.db2.gz DXKXKEKGZNQVJI-MRXNPFEDSA-N 1 0 381.318 2.510 20 0 GFADRO O=C(NC[C@@H]1CCC[NH2+]C1)Nc1cc(F)c(I)c(F)c1 ZINC000415122147 563759719 /nfs/dbraw/zinc/75/97/19/563759719.db2.gz NMOWEBNNNIPKHF-MRVPVSSYSA-N 1 0 395.191 2.691 20 0 GFADRO [NH3+]Cc1cn([C@@H]2CCCN(Cc3c(F)ccc(Br)c3F)C2)nn1 ZINC000415128863 563760490 /nfs/dbraw/zinc/76/04/90/563760490.db2.gz OKLUUGMDHATCLR-LLVKDONJSA-N 1 0 386.244 2.615 20 0 GFADRO C[C@H]1C[C@@H](NC(=O)Nc2cc(Br)ccc2-n2cccn2)CC[NH2+]1 ZINC000415169458 563761581 /nfs/dbraw/zinc/76/15/81/563761581.db2.gz VYCANTLVMTUTLI-AAEUAGOBSA-N 1 0 378.274 2.897 20 0 GFADRO [NH3+]C[C@@H](NC(=O)Nc1cc(Br)cnc1OCC(F)(F)F)C1CC1 ZINC000415170628 563761758 /nfs/dbraw/zinc/76/17/58/563761758.db2.gz LMMHYSJAYSEHSO-SNVBAGLBSA-N 1 0 397.195 2.644 20 0 GFADRO O=C(NC[C@@H]1CCC[NH2+]1)Nc1cc(Br)cnc1OCC(F)(F)F ZINC000415173157 563761879 /nfs/dbraw/zinc/76/18/79/563761879.db2.gz PRUODLPLPSHQNO-VIFPVBQESA-N 1 0 397.195 2.659 20 0 GFADRO OC1(C[NH+]2CCOCC2)CCN(Cc2csc(-c3cccs3)n2)CC1 ZINC000364725873 563762513 /nfs/dbraw/zinc/76/25/13/563762513.db2.gz VOJQMOPMHYCSKC-UHFFFAOYSA-N 1 0 379.551 2.531 20 0 GFADRO CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)N1CCc2cc(Br)ccc21 ZINC000364728563 563762662 /nfs/dbraw/zinc/76/26/62/563762662.db2.gz BPPUWCKMVHVERP-JOQOYGCGSA-N 1 0 379.298 2.871 20 0 GFADRO O=C(Nc1ncc(Cc2cccc(Br)c2)s1)N[C@@H]1CC[NH2+]C1 ZINC000415229287 563762966 /nfs/dbraw/zinc/76/29/66/563762966.db2.gz NWCPUDGRMKGALG-GFCCVEGCSA-N 1 0 381.299 2.980 20 0 GFADRO [NH3+]C[C@H]1CCCN1C(=O)Nc1cc(F)c(F)cc1I ZINC000415224730 563763177 /nfs/dbraw/zinc/76/31/77/563763177.db2.gz BGJKOYAMJXRETE-SSDOTTSWSA-N 1 0 381.164 2.524 20 0 GFADRO O=S(=O)(CC[N@@H+]1CC[C@@H]([C@@H]2CCOC2)C1)c1ccc(Br)cc1 ZINC000441668529 563763436 /nfs/dbraw/zinc/76/34/36/563763436.db2.gz OPKUJXLQUVFTIL-ZIAGYGMSSA-N 1 0 388.327 2.581 20 0 GFADRO C[NH2+]C[C@@H]1CCN(C(=O)Nc2cc(F)c(F)cc2I)C1 ZINC000415240408 563763536 /nfs/dbraw/zinc/76/35/36/563763536.db2.gz QHXDEDCIYYJZDL-QMMMGPOBSA-N 1 0 395.191 2.643 20 0 GFADRO [NH3+]C1(CNC(=O)Nc2cc(F)c(F)cc2I)CCC1 ZINC000415240736 563763654 /nfs/dbraw/zinc/76/36/54/563763654.db2.gz QTCIXRPWWYZEIL-UHFFFAOYSA-N 1 0 381.164 2.572 20 0 GFADRO C[NH+]1CCC2(CCCN2C(=O)C(=O)Nc2cc(F)ccc2Br)CC1 ZINC000364775336 563763895 /nfs/dbraw/zinc/76/38/95/563763895.db2.gz WTCHSJGQDXIAQK-UHFFFAOYSA-N 1 0 398.276 2.614 20 0 GFADRO CC1(C)C[NH2+]CC[C@H]1NC(=O)Nc1ccc(F)cc1I ZINC000415253590 563764168 /nfs/dbraw/zinc/76/41/68/563764168.db2.gz QDJOIIZUVAOMNR-GFCCVEGCSA-N 1 0 391.228 2.940 20 0 GFADRO C[C@H]1CCN(C(=O)Nc2ccc(F)cc2I)C[C@@H]1C[NH3+] ZINC000415251353 563764296 /nfs/dbraw/zinc/76/42/96/563764296.db2.gz MVGYTMSMEISFDU-UWVGGRQHSA-N 1 0 391.228 2.879 20 0 GFADRO CC1(NC(=O)Nc2ccc(F)cc2I)CC[NH2+]CC1 ZINC000415254194 563764364 /nfs/dbraw/zinc/76/43/64/563764364.db2.gz RYSRBVKRTKKXQV-UHFFFAOYSA-N 1 0 377.201 2.694 20 0 GFADRO Cc1c(Br)ccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1F ZINC000364824727 563765623 /nfs/dbraw/zinc/76/56/23/563765623.db2.gz UZXXFVMYHQTJOR-NEPJUHHUSA-N 1 0 398.276 2.578 20 0 GFADRO CCC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(Br)cc2F)CC1 ZINC000441967216 563766217 /nfs/dbraw/zinc/76/62/17/563766217.db2.gz FLCYPDAKLKYJGU-UHFFFAOYSA-N 1 0 386.265 2.517 20 0 GFADRO C[C@H](CC[NH3+])NC(=O)Nc1cccc(Oc2ncc(Br)cn2)c1 ZINC000415298644 563766210 /nfs/dbraw/zinc/76/62/10/563766210.db2.gz GYKYIWFDKAGCGT-SNVBAGLBSA-N 1 0 380.246 2.890 20 0 GFADRO Brc1ccc(C[NH2+]C[C@@H]2CN(C3CC3)CCO2)c2ncccc12 ZINC000364867928 563766419 /nfs/dbraw/zinc/76/64/19/563766419.db2.gz CAAWOKOQTPXNRZ-OAHLLOKOSA-N 1 0 376.298 2.950 20 0 GFADRO Cc1cc(C)c(NC(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)c(Br)c1 ZINC000415319647 563766680 /nfs/dbraw/zinc/76/66/80/563766680.db2.gz UJLKVMPORMBTJF-AWEZNQCLSA-N 1 0 381.318 2.577 20 0 GFADRO CCOC(=O)c1c(NC(=O)NCCC[NH2+]C2CC2)sc2c1CCSC2 ZINC000415343426 563767984 /nfs/dbraw/zinc/76/79/84/563767984.db2.gz TWYVXYUYLLWICO-UHFFFAOYSA-N 1 0 383.539 2.978 20 0 GFADRO O=C(C1CC[NH2+]CC1)N1CCC[C@@H]1c1ccccc1I ZINC000364886963 563768007 /nfs/dbraw/zinc/76/80/07/563768007.db2.gz WYCOOHDSYUUQBG-OAHLLOKOSA-N 1 0 384.261 2.954 20 0 GFADRO COC(=O)c1cc(Br)ccc1NC(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000415340148 563768074 /nfs/dbraw/zinc/76/80/74/563768074.db2.gz ZPKJELNVNHPNCY-INIZCTEOSA-N 1 0 384.274 2.747 20 0 GFADRO COC(=O)c1c(CC(C)C)csc1NC(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000415335991 563768099 /nfs/dbraw/zinc/76/80/99/563768099.db2.gz MEVYLCZNDDZWDC-LLVKDONJSA-N 1 0 375.441 2.852 20 0 GFADRO CCOC(=O)c1c(NC(=O)N[C@@H]2CC[C@H](C[NH3+])C2)sc2c1CCSC2 ZINC000415341625 563768322 /nfs/dbraw/zinc/76/83/22/563768322.db2.gz PDPGUCWTDHSRJS-WDEREUQCSA-N 1 0 383.539 2.963 20 0 GFADRO [NH3+][C@@H]1CN(S(=O)(=O)c2ccc(Cl)nc2Cl)C[C@H]1c1ccc(F)cc1 ZINC000364911084 563768941 /nfs/dbraw/zinc/76/89/41/563768941.db2.gz GUHHCUSYHVLWRK-NWDGAFQWSA-N 1 0 390.267 2.643 20 0 GFADRO C[NH2+][C@@H]1CCCN(C(=O)C(=O)Nc2ccc(Br)cc2C(C)C)C1 ZINC000415351936 563769345 /nfs/dbraw/zinc/76/93/45/563769345.db2.gz AGAKSORBBNBSIC-CYBMUJFWSA-N 1 0 382.302 2.721 20 0 GFADRO Cc1cc(NC(=O)C(=O)N[C@@H](C)[C@@H]2CCC[NH2+]C2)cc(C)c1Br ZINC000415352404 563769444 /nfs/dbraw/zinc/76/94/44/563769444.db2.gz KOMFZCRBIOZDHY-QWHCGFSZSA-N 1 0 382.302 2.509 20 0 GFADRO C[C@@]1(CNC(=O)Nc2cccc(F)c2I)CCC[NH2+]C1 ZINC000415355742 563769932 /nfs/dbraw/zinc/76/99/32/563769932.db2.gz GLDPKVVJMJESSS-CQSZACIVSA-N 1 0 391.228 2.942 20 0 GFADRO C[C@]1(CNC(=O)Nc2cccc(F)c2I)CCC[NH2+]C1 ZINC000415355741 563770153 /nfs/dbraw/zinc/77/01/53/563770153.db2.gz GLDPKVVJMJESSS-AWEZNQCLSA-N 1 0 391.228 2.942 20 0 GFADRO C[NH2+]CCN(C)C(=O)Nc1c(-c2ccc(Br)cc2)c(C)nn1C ZINC000415364169 563770711 /nfs/dbraw/zinc/77/07/11/563770711.db2.gz TVGVXLSLXRICGW-UHFFFAOYSA-N 1 0 380.290 2.841 20 0 GFADRO C[C@](C[NH3+])(NC(=O)Nc1cccc(F)c1I)C1CC1 ZINC000415361469 563770732 /nfs/dbraw/zinc/77/07/32/563770732.db2.gz NEUADUYCADZBDP-CYBMUJFWSA-N 1 0 377.201 2.679 20 0 GFADRO CN1C(=O)C[C@H](C(=O)NC[C@H]2CC[N@H+](C)C2)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000364992675 563771221 /nfs/dbraw/zinc/77/12/21/563771221.db2.gz IWDQJBXDXXZVBB-BTJLNZGRSA-N 1 0 384.307 2.581 20 0 GFADRO CN1C(=O)C[C@@H](C(=O)NC[C@H]2CC[N@H+](C)C2)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000364992676 563771299 /nfs/dbraw/zinc/77/12/99/563771299.db2.gz IWDQJBXDXXZVBB-CJBNDPTMSA-N 1 0 384.307 2.581 20 0 GFADRO CN(Cc1nc(-c2c(F)cccc2F)cs1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000292042845 563771413 /nfs/dbraw/zinc/77/14/13/563771413.db2.gz AQRXFLVJKFZOJY-LLVKDONJSA-N 1 0 387.477 2.554 20 0 GFADRO O=C([C@@H]1CCn2cncc2C1)N1CCc2c(Br)ccc(F)c2C1 ZINC000365040593 563771748 /nfs/dbraw/zinc/77/17/48/563771748.db2.gz JEXWUSZJFOTIPD-LLVKDONJSA-N 1 0 378.245 2.932 20 0 GFADRO Cc1cc(F)c(NC(=O)N[C@H]2CC[NH2+]C[C@@H]2C)c(I)c1 ZINC000415391954 563771903 /nfs/dbraw/zinc/77/19/03/563771903.db2.gz MSNFTZVOHPOMOL-CABZTGNLSA-N 1 0 391.228 2.858 20 0 GFADRO CCCN(C(=O)C(=O)Nc1cc(Cl)cc(C(F)(F)F)c1)[C@H]1CC[NH2+]C1 ZINC000415383707 563772094 /nfs/dbraw/zinc/77/20/94/563772094.db2.gz BVSCOZQYZVTGOB-ZDUSSCGKSA-N 1 0 377.794 2.898 20 0 GFADRO Cc1cc(F)c(NC(=O)N2CC[NH2+][C@@H](C)C2)c(I)c1 ZINC000415392713 563772114 /nfs/dbraw/zinc/77/21/14/563772114.db2.gz NZPLCIUFSDQOFR-VIFPVBQESA-N 1 0 377.201 2.564 20 0 GFADRO Cc1cc(F)c(NC(=O)NCC2=CC[NH2+]CC2)c(I)c1 ZINC000415399011 563772439 /nfs/dbraw/zinc/77/24/39/563772439.db2.gz XRXZYDDYGJBOKW-UHFFFAOYSA-N 1 0 389.212 2.780 20 0 GFADRO [NH3+]CC[C@H](NC(=O)Nc1ccn(-c2ccc(Cl)cc2Cl)n1)C(F)F ZINC000415402146 563772634 /nfs/dbraw/zinc/77/26/34/563772634.db2.gz QGXGRBFHNFZLDW-JTQLQIEISA-N 1 0 378.210 3.283 20 0 GFADRO COC(=O)c1cc(NC(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)ccc1Br ZINC000415399632 563772742 /nfs/dbraw/zinc/77/27/42/563772742.db2.gz DRXDJYARRPMBSL-TXEJJXNPSA-N 1 0 382.258 2.594 20 0 GFADRO COc1cc(NC(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)cc(OC)c1Br ZINC000415413274 563773569 /nfs/dbraw/zinc/77/35/69/563773569.db2.gz NNTOTSYOVQSCGM-MNOVXSKESA-N 1 0 384.274 2.825 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)NCC[C@H]2CCC[NH2+]C2)cc1Br ZINC000415409656 563773585 /nfs/dbraw/zinc/77/35/85/563773585.db2.gz JAAFDFOLUBKPRJ-CYBMUJFWSA-N 1 0 382.302 2.510 20 0 GFADRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)Nc1ccc(Br)c2ccccc12 ZINC000415415937 563773621 /nfs/dbraw/zinc/77/36/21/563773621.db2.gz MPHCIRSMEJAUIT-LLVKDONJSA-N 1 0 378.270 2.513 20 0 GFADRO COC(=O)c1cc(NC(=O)N2CCC[C@@H](C)[C@H]2C[NH3+])ccc1Br ZINC000415414432 563773693 /nfs/dbraw/zinc/77/36/93/563773693.db2.gz ZODLWQGHTLXJHO-QMTHXVAHSA-N 1 0 384.274 2.827 20 0 GFADRO C[NH2+]C[C@H](C)CNC(=O)C(=O)Nc1ccc(Br)c2ccccc12 ZINC000415415938 563773754 /nfs/dbraw/zinc/77/37/54/563773754.db2.gz MPHCIRSMEJAUIT-NSHDSACASA-N 1 0 378.270 2.513 20 0 GFADRO C[C@H](C[NH3+])N(C)C(=O)C(=O)Nc1ccc(Br)c(Cl)c1Cl ZINC000415417482 563774259 /nfs/dbraw/zinc/77/42/59/563774259.db2.gz MNMDIVZMIWCHSU-ZCFIWIBFSA-N 1 0 383.073 2.500 20 0 GFADRO CC(C)[C@H]([NH3+])CNC(=O)C(=O)Nc1cccc(Cl)c1SCC(F)F ZINC000415430895 563774929 /nfs/dbraw/zinc/77/49/29/563774929.db2.gz CYNHJRWCYMXXSV-SNVBAGLBSA-N 1 0 379.860 2.735 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(Cl)c(Br)c2)C1 ZINC000415436967 563775617 /nfs/dbraw/zinc/77/56/17/563775617.db2.gz KIAHLBWBBWQCDC-VHSXEESVSA-N 1 0 388.693 2.627 20 0 GFADRO [NH3+]CC[C@H]1CCCN(C(=O)[C@@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)C1 ZINC000442620613 563775992 /nfs/dbraw/zinc/77/59/92/563775992.db2.gz SVHCHAVKJSBRHB-OCCSQVGLSA-N 1 0 384.307 2.934 20 0 GFADRO COC(=O)c1cc(Br)c(F)cc1NC(=O)N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000415465802 563776989 /nfs/dbraw/zinc/77/69/89/563776989.db2.gz GCAAAMOJSLVIKM-DTWKUNHWSA-N 1 0 388.237 2.576 20 0 GFADRO O=C([C@@H]1C[NH+]2CCC1CC2)N1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000365218675 563777677 /nfs/dbraw/zinc/77/76/77/563777677.db2.gz HVFZNHJMNMEUOZ-SJORKVTESA-N 1 0 379.298 2.691 20 0 GFADRO COc1cc(C)c(Br)cc1NC(=O)N1CC[C@@H](OC)C[C@@H]1C[NH3+] ZINC000415480108 563778188 /nfs/dbraw/zinc/77/81/88/563778188.db2.gz GRJWARCIPAOOTB-VXGBXAGGSA-N 1 0 386.290 2.736 20 0 GFADRO COc1cc(C)c(Br)cc1NC(=O)N1CC[C@H](OC)C[C@@H]1C[NH3+] ZINC000415480101 563778479 /nfs/dbraw/zinc/77/84/79/563778479.db2.gz GRJWARCIPAOOTB-NEPJUHHUSA-N 1 0 386.290 2.736 20 0 GFADRO C[N@@H+]1CC[C@]2(CCN(C(=O)c3cnn(-c4cccc(Br)c4)c3)C2)C1 ZINC000292234236 563779250 /nfs/dbraw/zinc/77/92/50/563779250.db2.gz NSISEGAELSHPAA-SFHVURJKSA-N 1 0 389.297 2.803 20 0 GFADRO C[C@H](C(=O)NCCN1CCC([NH+](C)C)CC1)c1cccc(Br)c1 ZINC000292230747 563779421 /nfs/dbraw/zinc/77/94/21/563779421.db2.gz UFRXPDYAITVLPQ-AWEZNQCLSA-N 1 0 382.346 2.695 20 0 GFADRO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)Nc1cc(Cl)ccc1Br ZINC000415500913 563779468 /nfs/dbraw/zinc/77/94/68/563779468.db2.gz MCGQRABLLQFVSD-GFCCVEGCSA-N 1 0 390.709 2.873 20 0 GFADRO [NH3+][C@@H]1CCCN(C(=O)Nc2ccnn2Cc2ccccc2Br)C1 ZINC000415518970 563780635 /nfs/dbraw/zinc/78/06/35/563780635.db2.gz DZMCAWNSPBOJTK-CYBMUJFWSA-N 1 0 378.274 2.649 20 0 GFADRO CCC[NH2+]CCNC(=O)C(=O)Nc1ccc(Sc2nc(C)cs2)cc1 ZINC000415517776 563781004 /nfs/dbraw/zinc/78/10/04/563781004.db2.gz KLASRYYHAXSLKM-UHFFFAOYSA-N 1 0 378.523 2.657 20 0 GFADRO [NH3+]CC[C@@H](NC(=O)Nc1ccnn1Cc1ccc(Cl)c(F)c1)C(F)F ZINC000415525338 563782085 /nfs/dbraw/zinc/78/20/85/563782085.db2.gz FDKOZWAWIQWJFR-GFCCVEGCSA-N 1 0 375.782 2.828 20 0 GFADRO CN(C)c1ncc(Br)cc1C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000365409710 563782107 /nfs/dbraw/zinc/78/21/07/563782107.db2.gz LKCVWXDRTRCUBI-UHFFFAOYSA-N 1 0 381.318 2.657 20 0 GFADRO Cc1cc(Cl)cc(NC(=O)C(=O)N2C[C@@H](C)[NH2+]C[C@H]2C)c1Br ZINC000415568384 563785284 /nfs/dbraw/zinc/78/52/84/563785284.db2.gz QUAMEUHRNOFEQN-NXEZZACHSA-N 1 0 388.693 2.558 20 0 GFADRO COC(=O)c1c(Br)ccc(NC(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)c1C ZINC000415591772 563785832 /nfs/dbraw/zinc/78/58/32/563785832.db2.gz BBMUMPRIQTTXDI-RYUDHWBXSA-N 1 0 396.285 2.617 20 0 GFADRO O=S(=O)(c1ccccc1Br)N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000365539209 563785989 /nfs/dbraw/zinc/78/59/89/563785989.db2.gz PDHKBFLEXRUCOL-GZBFAFLISA-N 1 0 385.327 2.554 20 0 GFADRO CN1CCO[C@H]([C@H](NC(=O)NC[C@H]2CCSC2)c2ccc(Cl)cc2)C1 ZINC000365551920 563786730 /nfs/dbraw/zinc/78/67/30/563786730.db2.gz FFTNDCVQUGKKPX-XOKHGSTOSA-N 1 0 383.945 2.764 20 0 GFADRO COC(=O)c1c(Br)ccc(NC(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)c1C ZINC000415602648 563786846 /nfs/dbraw/zinc/78/68/46/563786846.db2.gz SEPNJXXZHLDRES-JOYOIKCWSA-N 1 0 384.274 2.664 20 0 GFADRO COC(=O)c1cccc(NC(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c1Br ZINC000415604453 563787411 /nfs/dbraw/zinc/78/74/11/563787411.db2.gz FTOQASFXYVGACM-CYZMBNFOSA-N 1 0 396.285 2.827 20 0 GFADRO COC(=O)c1cc(NC(=O)NC2CCC([NH3+])CC2)cc(Br)c1F ZINC000415608031 563787459 /nfs/dbraw/zinc/78/74/59/563787459.db2.gz LKIQZOONTGYTLS-UHFFFAOYSA-N 1 0 388.237 2.766 20 0 GFADRO NC(=O)[C@H](c1ccc(Br)cc1F)N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000365567605 563787627 /nfs/dbraw/zinc/78/76/27/563787627.db2.gz BTFANZCEGQIUPO-GQGQLFGLSA-N 1 0 396.304 2.531 20 0 GFADRO Cc1cc(NC(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)cc(C)c1Br ZINC000415607320 563787667 /nfs/dbraw/zinc/78/76/67/563787667.db2.gz QTKNKSNKYWOLFF-OAHLLOKOSA-N 1 0 381.318 2.577 20 0 GFADRO COC(=O)c1cc(NC(=O)N(C)[C@@H](C[NH3+])C2CC2)cc(Br)c1F ZINC000415617151 563788092 /nfs/dbraw/zinc/78/80/92/563788092.db2.gz UWUURHLFXWQAQZ-LBPRGKRZSA-N 1 0 388.237 2.576 20 0 GFADRO COC(=O)c1cc(F)c(Br)cc1NC(=O)N[C@](C)(C[NH3+])C(C)C ZINC000415632226 563789429 /nfs/dbraw/zinc/78/94/29/563789429.db2.gz SMSLLVATLPOUMR-OAHLLOKOSA-N 1 0 390.253 2.870 20 0 GFADRO OCC1([C@@H]([NH2+]Cc2cnc3ccc(Br)cn23)[C@@H]2CCCO2)CCC1 ZINC000365661167 563790664 /nfs/dbraw/zinc/79/06/64/563790664.db2.gz JGNMLIOEDZDCPP-RDJZCZTQSA-N 1 0 394.313 2.897 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000415676645 563790910 /nfs/dbraw/zinc/79/09/10/563790910.db2.gz LFTXAQPJXFZSLG-CYBMUJFWSA-N 1 0 382.302 2.592 20 0 GFADRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)Nc1ccc(-c2ccc(Cl)s2)nc1 ZINC000415659641 563790916 /nfs/dbraw/zinc/79/09/16/563790916.db2.gz SMGNWRWCMLKVNW-ZYHUDNBSSA-N 1 0 378.885 2.516 20 0 GFADRO COC(=O)c1cc(NC(=O)N2CC[C@@]3(CC[NH2+]C3)C2)c(C)cc1Br ZINC000415710287 563792557 /nfs/dbraw/zinc/79/25/57/563792557.db2.gz QYDOPIWUUNOFHZ-QGZVFWFLSA-N 1 0 396.285 2.761 20 0 GFADRO O=C(Nc1cc(Cl)c(Cl)cc1F)C(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000415734207 563793901 /nfs/dbraw/zinc/79/39/01/563793901.db2.gz JQXOEYSGEBRIRY-LLVKDONJSA-N 1 0 388.270 2.919 20 0 GFADRO Cc1csc(Sc2ccc(NC(=O)C(=O)N(C)C3C[NH2+]C3)cc2Cl)n1 ZINC000415748524 563794050 /nfs/dbraw/zinc/79/40/50/563794050.db2.gz XTBFEWQPZKIYRT-UHFFFAOYSA-N 1 0 396.925 2.625 20 0 GFADRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)Nc1ccn(-c2ccc(Br)cc2)n1 ZINC000415751447 563794194 /nfs/dbraw/zinc/79/41/94/563794194.db2.gz AEBSZFBUDAIFAB-HNNXBMFYSA-N 1 0 394.317 3.472 20 0 GFADRO C[C@@H](NC(=O)N[C@@H](C)CN1CC[NH+](C)CC1)c1ccc(Br)s1 ZINC000443189426 563794208 /nfs/dbraw/zinc/79/42/08/563794208.db2.gz BKEMSRBOLWHWSU-NWDGAFQWSA-N 1 0 389.363 2.507 20 0 GFADRO O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000415766800 563795794 /nfs/dbraw/zinc/79/57/94/563795794.db2.gz MHPCSIZMGAVQQL-NOZJJQNGSA-N 1 0 375.778 2.508 20 0 GFADRO O=C(Nc1cc(Cl)ccc1C(F)(F)F)C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000415779867 563796404 /nfs/dbraw/zinc/79/64/04/563796404.db2.gz LIKVSGYLNYVYRS-JOYOIKCWSA-N 1 0 375.778 2.508 20 0 GFADRO [NH3+][C@H]1CCC[C@H](CNC(=O)C(=O)Nc2cc(Cl)cc(Br)c2)C1 ZINC000415797534 563796832 /nfs/dbraw/zinc/79/68/32/563796832.db2.gz AEGGPYFSLBZMJT-CABZTGNLSA-N 1 0 388.693 2.675 20 0 GFADRO O=C(NCCC[C@@H]1CCC[NH2+]1)C(=O)Nc1cc(Cl)ccc1C(F)(F)F ZINC000415806972 563797748 /nfs/dbraw/zinc/79/77/48/563797748.db2.gz QAVAZEFNVLBGGE-NSHDSACASA-N 1 0 377.794 2.946 20 0 GFADRO [NH3+]C[C@@H](NC(=O)C(=O)Nc1ccc(OC(F)F)c(Cl)c1)C1CCCC1 ZINC000415820496 563798101 /nfs/dbraw/zinc/79/81/01/563798101.db2.gz BLRIKBUBETWADV-GFCCVEGCSA-N 1 0 375.803 2.514 20 0 GFADRO C[C@H]1CCN(C(=O)C(=O)Nc2cc(Cl)ccc2C(F)(F)F)C[C@@H]1C[NH3+] ZINC000415840740 563798883 /nfs/dbraw/zinc/79/88/83/563798883.db2.gz GISAFHLXYUTEFL-UWVGGRQHSA-N 1 0 377.794 2.741 20 0 GFADRO [NH3+]C[C@H]1CC[C@H](NC(=O)C(=O)Nc2ccc(Br)c3ccccc23)C1 ZINC000415843057 563798885 /nfs/dbraw/zinc/79/88/85/563798885.db2.gz RZIRFVDQLGTGLL-RYUDHWBXSA-N 1 0 390.281 2.784 20 0 GFADRO CCN(CCC[NH+](C)C)C(=O)Nc1ccnn1-c1ccc(Br)cn1 ZINC000366089871 563798938 /nfs/dbraw/zinc/79/89/38/563798938.db2.gz KLDWTGBQQXYCOV-UHFFFAOYSA-N 1 0 395.305 2.835 20 0 GFADRO C[N@@H+]1CCC[C@@]2(CCN(CC(=O)Nc3ccc(Br)cc3F)C2)C1 ZINC000293035028 563798980 /nfs/dbraw/zinc/79/89/80/563798980.db2.gz RVHHFCQZBUACLN-QGZVFWFLSA-N 1 0 384.293 2.944 20 0 GFADRO [NH3+]C[C@H](NC(=O)C(=O)Nc1ccc(Br)cc1Cl)C1CCCC1 ZINC000415832613 563799056 /nfs/dbraw/zinc/79/90/56/563799056.db2.gz GWLIMCJHPJLQLJ-ZDUSSCGKSA-N 1 0 388.693 2.675 20 0 GFADRO [NH3+]C[C@@H]1CC[C@H](NC(=O)C(=O)Nc2ccc(-c3ccc(Cl)s3)nc2)C1 ZINC000415850078 563799684 /nfs/dbraw/zinc/79/96/84/563799684.db2.gz ZOVQXHBHBUYRSW-MNOVXSKESA-N 1 0 378.885 2.646 20 0 GFADRO Cc1ccc(Br)c(NC(=O)C(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000415854083 563799786 /nfs/dbraw/zinc/79/97/86/563799786.db2.gz MJXMLWOSXQNSFF-KBPBESRZSA-N 1 0 394.313 2.544 20 0 GFADRO CC[C@@H](C)Sc1ccc(NC(=O)C(=O)N(C)CC[NH3+])c(C(F)(F)F)c1 ZINC000415878548 563800217 /nfs/dbraw/zinc/80/02/17/563800217.db2.gz MMKNOUWBMFWSSN-SNVBAGLBSA-N 1 0 377.432 2.952 20 0 GFADRO CC[C@H](C)Sc1ccc(NC(=O)C(=O)N(C)CC[NH3+])c(C(F)(F)F)c1 ZINC000415878547 563800376 /nfs/dbraw/zinc/80/03/76/563800376.db2.gz MMKNOUWBMFWSSN-JTQLQIEISA-N 1 0 377.432 2.952 20 0 GFADRO CC(C)c1cc(Br)ccc1NC(=O)C(=O)NCCC1=CC[NH2+]CC1 ZINC000415897876 563800610 /nfs/dbraw/zinc/80/06/10/563800610.db2.gz SORDPPOTRJEFSN-UHFFFAOYSA-N 1 0 394.313 2.937 20 0 GFADRO COC(=O)[C@H]1C[C@H](NC(=O)c2ccccc2SCc2cccs2)CN1 ZINC000366173186 563800762 /nfs/dbraw/zinc/80/07/62/563800762.db2.gz UTCRAALIUBSYCX-SWLSCSKDSA-N 1 0 376.503 2.674 20 0 GFADRO Cc1nn(C)c(CN(C)C2CC[NH+](C3CCOCC3)CC2)c1Br ZINC000366172589 563800766 /nfs/dbraw/zinc/80/07/66/563800766.db2.gz RHOIMSKWPCQPHA-UHFFFAOYSA-N 1 0 385.350 2.566 20 0 GFADRO C[NH+](C)[C@@H]1CCCN(C(=O)c2ccn(-c3ccc(Br)cc3)n2)C1 ZINC000293114544 563801402 /nfs/dbraw/zinc/80/14/02/563801402.db2.gz LYFSXMMIQDJINN-OAHLLOKOSA-N 1 0 377.286 2.801 20 0 GFADRO Cc1ccc(I)cc1C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000366221278 563801827 /nfs/dbraw/zinc/80/18/27/563801827.db2.gz IEDGRRAUVLWSGC-UONOGXRCSA-N 1 0 384.261 2.956 20 0 GFADRO CC(C)[NH+]1CCC(O)(CNS(=O)(=O)Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000443487032 563806616 /nfs/dbraw/zinc/80/66/16/563806616.db2.gz IBGBIKUKAVEUJO-UHFFFAOYSA-N 1 0 395.352 2.648 20 0 GFADRO [NH3+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)/C=C/c1ccc(I)o1 ZINC000366455357 563809079 /nfs/dbraw/zinc/80/90/79/563809079.db2.gz IIXUYDDVAQZCND-CAJNHYCDSA-N 1 0 386.233 2.768 20 0 GFADRO Cc1cc(C[NH2+][C@H](C)Cn2cc(Br)cn2)nc(N2CCCC2)n1 ZINC000293355065 563809503 /nfs/dbraw/zinc/80/95/03/563809503.db2.gz HDXOFJMJTGSUSK-CYBMUJFWSA-N 1 0 379.306 2.523 20 0 GFADRO CCn1cc(Br)cc1C(=O)N1CC[C@H](OCC[NH+]2CCCC2)C1 ZINC000443806125 563812532 /nfs/dbraw/zinc/81/25/32/563812532.db2.gz UKIKZDBHCBSVGG-HNNXBMFYSA-N 1 0 384.318 2.597 20 0 GFADRO Cn1nncc1C[NH2+]C1(Cc2ccc(F)cc2Br)CCOCC1 ZINC000293435089 563812777 /nfs/dbraw/zinc/81/27/77/563812777.db2.gz BONNKGWZSXHFKY-UHFFFAOYSA-N 1 0 383.265 2.598 20 0 GFADRO O=C(Cc1cccc(Br)c1)N1CC[C@@H](OCC[NH+]2CCCC2)C1 ZINC000443867009 563813355 /nfs/dbraw/zinc/81/33/55/563813355.db2.gz HRACVDMHZMNTDJ-QGZVFWFLSA-N 1 0 381.314 2.705 20 0 GFADRO C[NH+](C)C1(CNC(=O)[C@H](c2ccc(Cl)cc2Cl)N2CCOCC2)CC1 ZINC000416298241 563814036 /nfs/dbraw/zinc/81/40/36/563814036.db2.gz CHVCBZLOJSNAQA-INIZCTEOSA-N 1 0 386.323 2.577 20 0 GFADRO C[NH+](C)C1(CNC(=O)CCc2nc(-c3cc(Br)cs3)no2)CC1 ZINC000416304379 563814150 /nfs/dbraw/zinc/81/41/50/563814150.db2.gz UTHUIXNBMOYEJB-UHFFFAOYSA-N 1 0 399.314 2.704 20 0 GFADRO Cc1cc(Br)cc(S(=O)(=O)NCCC[NH+]2CCCCC2)c1 ZINC000444067292 563819936 /nfs/dbraw/zinc/81/99/36/563819936.db2.gz ZWBGIRSYHCEJPB-UHFFFAOYSA-N 1 0 375.332 2.912 20 0 GFADRO Cc1cc(Br)cc(S(=O)(=O)NC[C@@H](C)C[NH+]2CCCC2)c1 ZINC000444066420 563820196 /nfs/dbraw/zinc/82/01/96/563820196.db2.gz WXGSDPZKJIIDBW-CYBMUJFWSA-N 1 0 375.332 2.768 20 0 GFADRO Cn1cc(Br)c(C(=O)NC(C)(C)C[N@H+](C)Cc2ccccc2)n1 ZINC000293729008 563822504 /nfs/dbraw/zinc/82/25/04/563822504.db2.gz ZRHGVQGNPFHDLU-UHFFFAOYSA-N 1 0 379.302 2.823 20 0 GFADRO C[C@H](Cn1cc(Br)cn1)[NH2+]Cc1cccc(N2CCOCC2)c1 ZINC000293750297 563823181 /nfs/dbraw/zinc/82/31/81/563823181.db2.gz QGEZEIBUPABAOP-CQSZACIVSA-N 1 0 379.302 2.661 20 0 GFADRO CCOC(=O)[C@H](Cc1cc(Cl)cc(Cl)c1)NC(=O)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000444215827 563824728 /nfs/dbraw/zinc/82/47/28/563824728.db2.gz UEOBIUWYWUFFQY-MPGHIAIKSA-N 1 0 385.291 2.583 20 0 GFADRO O=C(NCC[C@H]1CCC[NH2+]1)[C@@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1 ZINC000444263820 563826524 /nfs/dbraw/zinc/82/65/24/563826524.db2.gz OAMURSCKNQZVAS-CJNGLKHVSA-N 1 0 384.307 2.856 20 0 GFADRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)c3c(F)ccc(Br)c3F)[C@H]2C1 ZINC000293881724 563826892 /nfs/dbraw/zinc/82/68/92/563826892.db2.gz LBMRDEVFKVHJMB-QWHCGFSZSA-N 1 0 389.240 2.663 20 0 GFADRO O=C(c1n[nH]c2ccc(Br)cc21)N1CCN[C@H](c2ccncc2)C1 ZINC000367083023 563829766 /nfs/dbraw/zinc/82/97/66/563829766.db2.gz CHGKGWHDAFGQEO-HNNXBMFYSA-N 1 0 386.253 2.507 20 0 GFADRO CN(CC(C)(C)CN1CCOCC1)C(=O)Nc1ccnc(Br)c1 ZINC000294152675 563832456 /nfs/dbraw/zinc/83/24/56/563832456.db2.gz HPAOCGMNTJNLMN-UHFFFAOYSA-N 1 0 385.306 2.666 20 0 GFADRO CCCN(CC[NH+](CC)CC)S(=O)(=O)c1cccc(Cl)c1C(=O)OC ZINC000416464838 563833119 /nfs/dbraw/zinc/83/31/19/563833119.db2.gz JOGDDLOHVMDMKW-UHFFFAOYSA-N 1 0 390.933 2.869 20 0 GFADRO Cc1ccc(C[NH2+]C[C@H]2CCC[C@@]23NC(=O)N(C)C3=O)cc1Br ZINC000367209612 563836034 /nfs/dbraw/zinc/83/60/34/563836034.db2.gz SKWWCOMYSODTEV-CXAGYDPISA-N 1 0 380.286 2.568 20 0 GFADRO C[C@@H]1C[N@@H+](CCCNC(=O)Cc2sccc2Br)C[C@H](C)O1 ZINC000294257928 563836140 /nfs/dbraw/zinc/83/61/40/563836140.db2.gz CPJREDFFPVUALN-TXEJJXNPSA-N 1 0 375.332 2.669 20 0 GFADRO CCCC[N@H+](C)C[C@@H](C)NS(=O)(=O)c1cccc(Cl)c1C(=O)OC ZINC000416484421 563836592 /nfs/dbraw/zinc/83/65/92/563836592.db2.gz TUDYXKCLCHIWRP-GFCCVEGCSA-N 1 0 376.906 2.525 20 0 GFADRO COC(=O)CC[C@H]([NH3+])C(=O)N[C@@H]1CCCOc2c(Cl)c(Cl)ccc21 ZINC000367283613 563839244 /nfs/dbraw/zinc/83/92/44/563839244.db2.gz XPJVHHNCZYVOAZ-NWDGAFQWSA-N 1 0 375.252 2.604 20 0 GFADRO CC(C)[N@H+](C)CCNC(=O)NCc1cnn(-c2ccc(Br)cc2)c1 ZINC000445032967 563841508 /nfs/dbraw/zinc/84/15/08/563841508.db2.gz PNSRGQNGUZYHOY-UHFFFAOYSA-N 1 0 394.317 2.774 20 0 GFADRO O=S(=O)(C1CC[NH+]([C@@H]2CSCCc3ccccc32)CC1)N1CCCC1 ZINC000367357204 563841649 /nfs/dbraw/zinc/84/16/49/563841649.db2.gz VHBJWFJRWXOLHS-LJQANCHMSA-N 1 0 380.579 2.907 20 0 GFADRO CC(C)[NH+]1CCN([C@@H]2CCN(c3nc(C(Cl)(Cl)Cl)ns3)C2)CC1 ZINC000367431453 563844489 /nfs/dbraw/zinc/84/44/89/563844489.db2.gz WCHNBUBAXJMEDM-LLVKDONJSA-N 1 0 398.791 2.970 20 0 GFADRO O=C([C@@H](O)c1ccc(Cl)c(Cl)c1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000294541410 563845878 /nfs/dbraw/zinc/84/58/78/563845878.db2.gz QHVWDRYSSJGMRS-KRWDZBQOSA-N 1 0 387.307 2.598 20 0 GFADRO O=C(NC[C@H]1CCC[N@H+](Cc2cccnc2)C1)c1cccc(Br)n1 ZINC000367642627 563851058 /nfs/dbraw/zinc/85/10/58/563851058.db2.gz GSRSRNFCZNSGGR-OAHLLOKOSA-N 1 0 389.297 2.881 20 0 GFADRO Cc1cc(Br)c(S(=O)(=O)N(C)CC2([NH+](C)C)CCC2)s1 ZINC000445706104 563852443 /nfs/dbraw/zinc/85/24/43/563852443.db2.gz ABHDASWRXXOAHO-UHFFFAOYSA-N 1 0 381.361 2.924 20 0 GFADRO CCOc1ccc(S(=O)(=O)N2C[C@H](SC)[C@@H]([NH+]3CCCC3)C2)c(C)c1 ZINC000445732997 563853056 /nfs/dbraw/zinc/85/30/56/563853056.db2.gz MQWCDWWFFXTIJZ-IRXDYDNUSA-N 1 0 384.567 2.594 20 0 GFADRO CCC[C@@]1(C)C(=O)NCC[N@H+]1CCC(=O)Nc1cccc(Br)c1 ZINC000446024777 563856832 /nfs/dbraw/zinc/85/68/32/563856832.db2.gz WAVMQGDRANPVPD-KRWDZBQOSA-N 1 0 382.302 2.768 20 0 GFADRO COCC[N@@H+]1CC[C@H](NC(=O)CCC(=O)c2cc(Cl)sc2Cl)C1 ZINC000446056281 563857950 /nfs/dbraw/zinc/85/79/50/563857950.db2.gz YBYLLJKKMNOIOO-JTQLQIEISA-N 1 0 379.309 2.855 20 0 GFADRO Cc1nc(C(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)nn1-c1c(Cl)cccc1Cl ZINC000368011798 563861514 /nfs/dbraw/zinc/86/15/14/563861514.db2.gz JQNKENNXVBGSKW-NWDGAFQWSA-N 1 0 380.279 2.564 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)NC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000416830201 563861691 /nfs/dbraw/zinc/86/16/91/563861691.db2.gz ODYGSWNBIQLZQU-GXTWGEPZSA-N 1 0 397.317 2.513 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)N1CCCC[C@H]1[C@H](C)[NH3+] ZINC000416824480 563861781 /nfs/dbraw/zinc/86/17/81/563861781.db2.gz IKJYTEJJXVIHQW-WFASDCNBSA-N 1 0 397.317 2.607 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)N1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000416824478 563861996 /nfs/dbraw/zinc/86/19/96/563861996.db2.gz IKJYTEJJXVIHQW-SWLSCSKDSA-N 1 0 397.317 2.607 20 0 GFADRO CCSCC[C@@H](C)[NH2+]C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 ZINC000368016065 563862067 /nfs/dbraw/zinc/86/20/67/563862067.db2.gz ATYGJDHWQWSREO-OAHLLOKOSA-N 1 0 386.583 2.970 20 0 GFADRO Cc1cccc(S(=O)(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)c1Br ZINC000368109707 563863985 /nfs/dbraw/zinc/86/39/85/563863985.db2.gz PFNNEIHAGXCHGW-AWEZNQCLSA-N 1 0 387.343 2.768 20 0 GFADRO CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000446488090 563864438 /nfs/dbraw/zinc/86/44/38/563864438.db2.gz IVSAHYHHJHYLIL-HOTGVXAUSA-N 1 0 394.313 2.545 20 0 GFADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N1CC[C@H]1c1cccc(Br)c1 ZINC000368173551 563865549 /nfs/dbraw/zinc/86/55/49/563865549.db2.gz LTKYYPCDZSBYHD-YOEHRIQHSA-N 1 0 395.345 2.541 20 0 GFADRO CN(C)S(=O)(=O)n1ccnc1C[NH2+][C@H]1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000368226049 563866746 /nfs/dbraw/zinc/86/67/46/563866746.db2.gz JRXWIOXKRSXHKR-CVEARBPZSA-N 1 0 382.917 2.617 20 0 GFADRO CC(C)(CNC(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1)c1ccc(Br)cc1 ZINC000417097759 563868287 /nfs/dbraw/zinc/86/82/87/563868287.db2.gz BLVCLWWKRJWPEH-KBPBESRZSA-N 1 0 380.330 2.978 20 0 GFADRO C[C@H](NC(=O)N1C[C@@H](C)[NH2+]C[C@H]1C)c1cc2c(cc1Br)OCCO2 ZINC000417174678 563870364 /nfs/dbraw/zinc/87/03/64/563870364.db2.gz ITRMUUMJNPWUKN-UTUOFQBUSA-N 1 0 398.301 2.673 20 0 GFADRO C[C@H](NC(=O)N[C@@H]1C[NH2+]CC[C@@H]1C)c1cc2c(cc1Br)OCCO2 ZINC000417185288 563871350 /nfs/dbraw/zinc/87/13/50/563871350.db2.gz UATJGISRKYARDV-COPLHBTASA-N 1 0 398.301 2.579 20 0 GFADRO NC(=O)[C@H](Cc1ccccc1)[NH2+]Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000447044778 563873188 /nfs/dbraw/zinc/87/31/88/563873188.db2.gz OVBJNMUFMHCIGW-SFHVURJKSA-N 1 0 399.292 2.821 20 0 GFADRO CC[NH2+]CC1CCN(C(=O)NCc2cn3cc(Br)ccc3n2)CC1 ZINC000417217152 563873681 /nfs/dbraw/zinc/87/36/81/563873681.db2.gz JZEXFKHOLCCCKX-UHFFFAOYSA-N 1 0 394.317 2.628 20 0 GFADRO Cc1cccc(C(=O)N2CC[C@H]3CC[N@@H+](C)[C@@H]3C2)c1I ZINC000368597396 563875358 /nfs/dbraw/zinc/87/53/58/563875358.db2.gz XHKVYSYSNLNNOX-TZMCWYRMSA-N 1 0 384.261 2.766 20 0 GFADRO [NH3+]C1CCC(NC(=O)NC[C@H]2CCN(c3cccc(Br)c3)C2)CC1 ZINC000417260076 563875427 /nfs/dbraw/zinc/87/54/27/563875427.db2.gz IIIXTYMGADFXRG-IUDNXUCKSA-N 1 0 395.345 2.845 20 0 GFADRO C[NH2+]C[C@H]1CCCN1C(=O)NC[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000417267955 563875736 /nfs/dbraw/zinc/87/57/36/563875736.db2.gz YJHOSEUSSSXOEO-WMLDXEAASA-N 1 0 395.345 2.669 20 0 GFADRO C[C@@H]1[NH2+]CCN(C(=O)NC[C@@H]2CCN(c3cccc(Br)c3)C2)[C@H]1C ZINC000417265918 563875837 /nfs/dbraw/zinc/87/58/37/563875837.db2.gz VUECTBMBMPZJNQ-KKUMJFAQSA-N 1 0 395.345 2.667 20 0 GFADRO O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccc(COc2cccc(Br)c2)o1 ZINC000368644763 563876497 /nfs/dbraw/zinc/87/64/97/563876497.db2.gz DRCGUKJXFWUKST-FOLVSLTJSA-N 1 0 377.238 2.569 20 0 GFADRO O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccc(COc2ccc(Br)cc2)o1 ZINC000368649027 563876514 /nfs/dbraw/zinc/87/65/14/563876514.db2.gz ZJYMSMNHOQXPSU-FOLVSLTJSA-N 1 0 377.238 2.569 20 0 GFADRO COCC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1ccc(Cl)c2ccccc21 ZINC000447202746 563876963 /nfs/dbraw/zinc/87/69/63/563876963.db2.gz ZNVGZVHGQXGWIL-AWEZNQCLSA-N 1 0 382.913 2.882 20 0 GFADRO COC[C@]1(CNC(=O)NCc2ccc(Br)cc2Cl)CCC[NH2+]1 ZINC000417335877 563878062 /nfs/dbraw/zinc/87/80/62/563878062.db2.gz GWPZPRNGYBUZKR-OAHLLOKOSA-N 1 0 390.709 2.670 20 0 GFADRO C[C@@H]1C[C@@H](C[NH3+])CN1S(=O)(=O)c1c(Cl)cc(F)cc1Br ZINC000447256096 563878263 /nfs/dbraw/zinc/87/82/63/563878263.db2.gz JPYJXGWMKSCHKF-SFYZADRCSA-N 1 0 385.686 2.599 20 0 GFADRO O=C(Nc1ccc(Br)cc1)[C@@H]1CCC[N@@H+]1CCCN1CCOCC1 ZINC000368781503 563878607 /nfs/dbraw/zinc/87/86/07/563878607.db2.gz FEWJJDAUMFIKBO-KRWDZBQOSA-N 1 0 396.329 2.574 20 0 GFADRO C[C@@H](NC(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1)c1cc(Cl)ccc1Cl ZINC000417367569 563878787 /nfs/dbraw/zinc/87/87/87/563878787.db2.gz NYWFEEUOLSZVTO-VXGBXAGGSA-N 1 0 387.311 2.551 20 0 GFADRO CO[C@@H](C[NH2+][C@H](C)c1ccc(Br)c(S(N)(=O)=O)c1)CC(C)C ZINC000417364336 563878817 /nfs/dbraw/zinc/87/88/17/563878817.db2.gz LVIZHAZMAUDQMM-DGCLKSJQSA-N 1 0 393.347 2.808 20 0 GFADRO COC[C@H](C)OC[C@@H](O)C[N@@H+]1CCCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000447297987 563879533 /nfs/dbraw/zinc/87/95/33/563879533.db2.gz ZZSYVOFVIKXHIQ-HOCLYGCPSA-N 1 0 391.339 2.918 20 0 GFADRO C[C@H]1CN(C(=O)NCC2(c3ccc(Br)cc3)CCOCC2)CC[NH2+]1 ZINC000417433324 563880215 /nfs/dbraw/zinc/88/02/15/563880215.db2.gz VCCZHIOALQGERM-AWEZNQCLSA-N 1 0 396.329 2.501 20 0 GFADRO O=C(N[C@H]1CCN(c2ccc(Br)cc2)C1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000417485417 563881059 /nfs/dbraw/zinc/88/10/59/563881059.db2.gz WNBYGZYOBAKCPP-PMPSAXMXSA-N 1 0 393.329 2.564 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000417489481 563881229 /nfs/dbraw/zinc/88/12/29/563881229.db2.gz QHJUJENKFCVKFS-OCCSQVGLSA-N 1 0 397.317 2.526 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000417494945 563881431 /nfs/dbraw/zinc/88/14/31/563881431.db2.gz YVWOKJVGMQAUKU-TZMCWYRMSA-N 1 0 397.317 2.513 20 0 GFADRO Cc1ccc(Br)c(NC(=O)C(=O)NCC[N@@H+]2CCCC(C)(C)C2)c1 ZINC000447429101 563881780 /nfs/dbraw/zinc/88/17/80/563881780.db2.gz UKYGARCZNZIAMX-UHFFFAOYSA-N 1 0 396.329 2.934 20 0 GFADRO Cc1cc(NC(=O)NCC2CC[NH+](CCO)CC2)cc(F)c1Br ZINC000417551678 563881914 /nfs/dbraw/zinc/88/19/14/563881914.db2.gz OOLAEOHYIPTZTH-UHFFFAOYSA-N 1 0 388.281 2.722 20 0 GFADRO CC(C)([NH3+])CNC(=O)NCCSCCOc1cccc(Br)c1 ZINC000417593755 563885498 /nfs/dbraw/zinc/88/54/98/563885498.db2.gz KXUQJXDWLCWIHS-UHFFFAOYSA-N 1 0 390.347 2.598 20 0 GFADRO CC(C)C[C@H](C[NH3+])NC(=O)N[C@@H]1CCN(c2ccccc2Br)C1 ZINC000417600432 563885545 /nfs/dbraw/zinc/88/55/45/563885545.db2.gz JIPLUZRKLISTHW-ZIAGYGMSSA-N 1 0 383.334 2.700 20 0 GFADRO O=C(N[C@H]1CCN(c2ccccc2Br)C1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000417590805 563885613 /nfs/dbraw/zinc/88/56/13/563885613.db2.gz CCEYFVMPMDEFCF-DZGCQCFKSA-N 1 0 393.329 2.564 20 0 GFADRO [NH3+]C[C@@H](NC(=O)N[C@H]1CCN(c2ccccc2Br)C1)C1CCCC1 ZINC000417602472 563886291 /nfs/dbraw/zinc/88/62/91/563886291.db2.gz OGZGTLSKQQMLFU-GOEBONIOSA-N 1 0 395.345 2.845 20 0 GFADRO Cc1nc(SC(F)F)sc1CC(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000369099248 563887021 /nfs/dbraw/zinc/88/70/21/563887021.db2.gz HRPISRXCHZAHOP-UHFFFAOYSA-N 1 0 391.509 2.632 20 0 GFADRO O=C(NCCCc1ccc(Br)cc1F)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000417685959 563887281 /nfs/dbraw/zinc/88/72/81/563887281.db2.gz ZAQAPNSDSLDYQM-CZUORRHYSA-N 1 0 384.293 2.914 20 0 GFADRO O=C(NCCCc1ccc(Br)cc1F)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000417685957 563887624 /nfs/dbraw/zinc/88/76/24/563887624.db2.gz ZAQAPNSDSLDYQM-BBRMVZONSA-N 1 0 384.293 2.914 20 0 GFADRO C[C@@H]1[NH2+]CCN(C(=O)NCCOc2ncc(C(F)(F)F)cc2Cl)[C@H]1C ZINC000417739667 563887990 /nfs/dbraw/zinc/88/79/90/563887990.db2.gz QQOGTBUSHXGIPD-UWVGGRQHSA-N 1 0 380.798 2.524 20 0 GFADRO CCC[NH+]1CCN(C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)CC1 ZINC000369157541 563888212 /nfs/dbraw/zinc/88/82/12/563888212.db2.gz STVRWVKHWZVRCY-UHFFFAOYSA-N 1 0 385.961 2.521 20 0 GFADRO C[C@H]1C[C@H](NC(=O)NCCOc2ncc(C(F)(F)F)cc2Cl)CC[NH2+]1 ZINC000417741773 563888659 /nfs/dbraw/zinc/88/86/59/563888659.db2.gz VHFISEXYNMNPEU-GXSJLCMTSA-N 1 0 380.798 2.572 20 0 GFADRO C[C@H](CNC(=O)N1CCC[C@H]([C@H](C)[NH3+])C1)Oc1cccc(Br)c1 ZINC000417785471 563889261 /nfs/dbraw/zinc/88/92/61/563889261.db2.gz CXOKCVBSHPTDLI-RDBSUJKOSA-N 1 0 384.318 2.985 20 0 GFADRO O=C(NCCOc1c(Cl)cc(Cl)cc1Cl)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000417850481 563890287 /nfs/dbraw/zinc/89/02/87/563890287.db2.gz XRMZOXKDLAVVRO-AOOOYVTPSA-N 1 0 378.687 2.886 20 0 GFADRO C[C@H](NC(=O)N[C@H](C[NH3+])C1CC1)c1nc(-c2ccc(Br)cc2)no1 ZINC000417883011 563890375 /nfs/dbraw/zinc/89/03/75/563890375.db2.gz DXMICBDOHCHLPW-TVQRCGJNSA-N 1 0 394.273 2.597 20 0 GFADRO C[C@@H](C[NH3+])N(C)C(=O)N[C@@H](C)c1nc(-c2ccc(Br)cc2)no1 ZINC000417882316 563890415 /nfs/dbraw/zinc/89/04/15/563890415.db2.gz DQLWISNIEIEATL-UWVGGRQHSA-N 1 0 382.262 2.549 20 0 GFADRO C[C@H](Cc1ccc(F)c(Br)c1)NC(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000417896698 563890875 /nfs/dbraw/zinc/89/08/75/563890875.db2.gz HXYYCMVDOMGJFX-FFSVYQOJSA-N 1 0 384.293 2.913 20 0 GFADRO Cn1c(Cl)cnc1CN1CCC[N@H+](C[C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000369281057 563891138 /nfs/dbraw/zinc/89/11/38/563891138.db2.gz AWUQHHBVCDMODZ-MRXNPFEDSA-N 1 0 383.323 2.968 20 0 GFADRO C[C@H](Cc1ccc(F)c(Br)c1)NC(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000417901352 563891543 /nfs/dbraw/zinc/89/15/43/563891543.db2.gz NKBIXNAYKFCFEW-MRVWCRGKSA-N 1 0 384.293 2.770 20 0 GFADRO COc1cc(Cl)c(S(=O)(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)cc1OC ZINC000447945314 563891752 /nfs/dbraw/zinc/89/17/52/563891752.db2.gz VZKYIQUYPVQXFI-MRXNPFEDSA-N 1 0 390.933 2.756 20 0 GFADRO NC(=O)C1CCN(C[C@H]([NH2+]C[C@@H]2CCSC2)c2ccc(Cl)cc2)CC1 ZINC000448021023 563892769 /nfs/dbraw/zinc/89/27/69/563892769.db2.gz GHKPYOFXJNFUTK-KSSFIOAISA-N 1 0 381.973 2.921 20 0 GFADRO COC(=O)CSCCC(=O)NC[C@H]1CC[N@H+](C)[C@@H]1c1cccc(Cl)c1 ZINC000369358012 563893492 /nfs/dbraw/zinc/89/34/92/563893492.db2.gz JKFSYALRUSIFLA-RDTXWAMCSA-N 1 0 384.929 2.745 20 0 GFADRO COc1cc(Br)ccc1CCCNC(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000417997728 563894049 /nfs/dbraw/zinc/89/40/49/563894049.db2.gz GBTXWMJBTRGRCU-ZDUSSCGKSA-N 1 0 384.318 2.689 20 0 GFADRO Cc1cc(Br)cn2cc(CCNC(=O)N[C@@H](C)CCCC[NH3+])nc12 ZINC000417995509 563894263 /nfs/dbraw/zinc/89/42/63/563894263.db2.gz AZYIRONVMYNNOV-ZDUSSCGKSA-N 1 0 396.333 2.764 20 0 GFADRO C[NH2+]C[C@@H]1CCCN1C(=O)NCCCc1ccc(Br)cc1OC ZINC000417999191 563894705 /nfs/dbraw/zinc/89/47/05/563894705.db2.gz HXOTZGNNOBUIJY-HNNXBMFYSA-N 1 0 384.318 2.784 20 0 GFADRO CO[C@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)N(C)C1CC[NH2+]CC1 ZINC000418006235 563894916 /nfs/dbraw/zinc/89/49/16/563894916.db2.gz ZNQRREDDHZAMRJ-WBMJQRKESA-N 1 0 384.318 2.919 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)NCc1cc(Br)cc2c1OCC2 ZINC000418020401 563895376 /nfs/dbraw/zinc/89/53/76/563895376.db2.gz ZWVKAGPPLXPNNW-XHDPSFHLSA-N 1 0 382.302 2.795 20 0 GFADRO [NH3+]C[C@H]1CCCCN1C(=O)NCCc1c[nH]c2ccc(Br)cc12 ZINC000418013125 563895445 /nfs/dbraw/zinc/89/54/45/563895445.db2.gz YOVKTILLIBMMBH-CQSZACIVSA-N 1 0 379.302 2.996 20 0 GFADRO Cc1cc(Br)cn2cc(CCNC(=O)NC3CCC([NH3+])CC3)nc12 ZINC000418014647 563895467 /nfs/dbraw/zinc/89/54/67/563895467.db2.gz CUZLXJITNIYUEC-UHFFFAOYSA-N 1 0 394.317 2.517 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)NCc2cc(Br)cc3c2OCC3)C1 ZINC000418014495 563895668 /nfs/dbraw/zinc/89/56/68/563895668.db2.gz OQQVUJYHNJDECP-YPMHNXCESA-N 1 0 382.302 2.653 20 0 GFADRO O=C(NCCC[C@H]1CCC[NH2+]1)NCc1cc(Br)cc2c1OCC2 ZINC000418014417 563895709 /nfs/dbraw/zinc/89/57/09/563895709.db2.gz OLEDTLMUSLLSKE-OAHLLOKOSA-N 1 0 382.302 2.715 20 0 GFADRO CCCOC[C@H](Cc1cccc(Br)c1)NC(=O)N1CC[C@@H]([NH3+])C1 ZINC000418022208 563895743 /nfs/dbraw/zinc/89/57/43/563895743.db2.gz AMRDIGQETFSKPT-CVEARBPZSA-N 1 0 384.318 2.529 20 0 GFADRO CCCOC[C@H](Cc1cccc(Br)c1)NC(=O)N[C@H]1CCC[NH2+]C1 ZINC000418026418 563896046 /nfs/dbraw/zinc/89/60/46/563896046.db2.gz HEBWPJUBMDYUIO-IRXDYDNUSA-N 1 0 398.345 2.838 20 0 GFADRO CN(CC[NH3+])C(=O)N[C@@H](Cc1ccccn1)c1ccc(Br)cc1 ZINC000418054822 563896780 /nfs/dbraw/zinc/89/67/80/563896780.db2.gz AVZPBZWMZCHOGJ-INIZCTEOSA-N 1 0 377.286 2.728 20 0 GFADRO [NH3+]C1CCN(C(=O)NCc2cc(Br)ccc2Br)CC1 ZINC000418047173 563896846 /nfs/dbraw/zinc/89/68/46/563896846.db2.gz PWZZKJSSEDZIBT-UHFFFAOYSA-N 1 0 391.107 2.844 20 0 GFADRO CCn1c(CNC(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)nc2cc(Br)ccc21 ZINC000418067852 563897457 /nfs/dbraw/zinc/89/74/57/563897457.db2.gz PLBBGWUTBPASGC-WCQYABFASA-N 1 0 394.317 2.616 20 0 GFADRO [NH3+][C@@H]1CCN(C(=O)N[C@@H](Cc2ccccn2)c2ccc(Br)cc2)C1 ZINC000418070765 563897485 /nfs/dbraw/zinc/89/74/85/563897485.db2.gz UFLRPVWSHUHXCI-WBVHZDCISA-N 1 0 389.297 2.871 20 0 GFADRO CCn1c(CNC(=O)NCCC[NH2+]C2CC2)nc2cc(Br)ccc21 ZINC000418059978 563897509 /nfs/dbraw/zinc/89/75/09/563897509.db2.gz BLLBWSHEUAFSHR-UHFFFAOYSA-N 1 0 394.317 2.760 20 0 GFADRO CS(=O)(=O)c1ccc(CNC(=O)NCC2([NH3+])CCCCCC2)cc1Cl ZINC000418078468 563897768 /nfs/dbraw/zinc/89/77/68/563897768.db2.gz WAAQLCMBFWRIQW-UHFFFAOYSA-N 1 0 387.933 2.594 20 0 GFADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)Nc1ccc(Br)c(Cl)c1 ZINC000448512277 563897846 /nfs/dbraw/zinc/89/78/46/563897846.db2.gz YVMUPNXWSMBDLB-JTQLQIEISA-N 1 0 390.709 2.888 20 0 GFADRO [NH3+][C@@H]1CCCN(C(=O)N[C@@H]2CCCN(c3ccc(Cl)cc3Cl)C2=O)C1 ZINC000418084329 563898134 /nfs/dbraw/zinc/89/81/34/563898134.db2.gz VEFKJXXAGYLASX-TZMCWYRMSA-N 1 0 385.295 2.622 20 0 GFADRO C[C@H](CCCC[NH3+])NC(=O)N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000418081717 563898202 /nfs/dbraw/zinc/89/82/02/563898202.db2.gz ORAJHRCSARDGFH-RISCZKNCSA-N 1 0 387.311 2.915 20 0 GFADRO C[NH2+]C[C@H]1CCCN(C(=O)N[C@H]2CCN(c3cccc(Br)c3)C2)C1 ZINC000418107263 563898934 /nfs/dbraw/zinc/89/89/34/563898934.db2.gz YWJGWESCVBUPPY-ZBFHGGJFSA-N 1 0 395.345 2.669 20 0 GFADRO C[C@@H]1CN(Cc2ccc(Br)c3cccnc23)[C@@H](C)C[N@@H+]1CCO ZINC000418108598 563899144 /nfs/dbraw/zinc/89/91/44/563899144.db2.gz GTEIGEDUFBFYKK-KGLIPLIRSA-N 1 0 378.314 2.884 20 0 GFADRO C[C@@H](NC(=O)NCCC[NH2+]Cc1cccnc1)c1ccc(Br)cn1 ZINC000418121155 563899482 /nfs/dbraw/zinc/89/94/82/563899482.db2.gz DCHXYNHSYUTTTE-CYBMUJFWSA-N 1 0 392.301 2.779 20 0 GFADRO CC[NH2+]CCNC(=O)N[C@H](C)CCc1ccc(I)cc1 ZINC000418118449 563899613 /nfs/dbraw/zinc/89/96/13/563899613.db2.gz VVORPMQQLPHSQP-GFCCVEGCSA-N 1 0 389.281 2.521 20 0 GFADRO [NH3+][C@@H]1CCCN(C(=O)NCc2ccc(I)c(Cl)c2)C1 ZINC000418157806 563900345 /nfs/dbraw/zinc/90/03/45/563900345.db2.gz NMKACHWVSSNWCO-SNVBAGLBSA-N 1 0 393.656 2.577 20 0 GFADRO C[NH2+]C[C@@H]1CCCN(C(=O)N[C@H]2COc3cc(F)c(Br)cc32)C1 ZINC000418152168 563900375 /nfs/dbraw/zinc/90/03/75/563900375.db2.gz HLWRHOLJZHSFJZ-HZMBPMFUSA-N 1 0 386.265 2.663 20 0 GFADRO C[NH2+]CCNC(=O)N[C@H]1CCCN(c2c(C)cc(Br)cc2C)C1 ZINC000418173766 563900794 /nfs/dbraw/zinc/90/07/94/563900794.db2.gz COYOOPSJGOJMAR-HNNXBMFYSA-N 1 0 383.334 2.553 20 0 GFADRO C[NH+](C)[C@H]1CCCN(C(=O)c2ccc(I)cc2F)C1 ZINC000448881229 563902711 /nfs/dbraw/zinc/90/27/11/563902711.db2.gz LGSPCFXXPDSPQD-NSHDSACASA-N 1 0 376.213 2.597 20 0 GFADRO CCC[NH+]1CCN(C(=O)c2ccccc2-n2cc(Br)cn2)CC1 ZINC000448894184 563902754 /nfs/dbraw/zinc/90/27/54/563902754.db2.gz HIYNDTQRVSLCHD-UHFFFAOYSA-N 1 0 377.286 2.803 20 0 GFADRO Cc1cc(Br)c(C[NH2+][C@H]2CCCN(S(C)(=O)=O)C2)cc1Cl ZINC000449097163 563907015 /nfs/dbraw/zinc/90/70/15/563907015.db2.gz BWZUDWNRRZYBLQ-LBPRGKRZSA-N 1 0 395.750 2.925 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+][C@@H]1CCC[C@@]1(C)CO ZINC000449171623 563907263 /nfs/dbraw/zinc/90/72/63/563907263.db2.gz IFPWGPWXJIGWKB-XZOAIXRZSA-N 1 0 399.329 2.603 20 0 GFADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1CNC[C@@H](C)[N@H+](C)C1CC1 ZINC000449134860 563907413 /nfs/dbraw/zinc/90/74/13/563907413.db2.gz LVOCRDXXUIARHU-CHWSQXEVSA-N 1 0 398.345 2.535 20 0 GFADRO CS(=O)(=O)c1cccc(C[NH2+][C@@H]2CCN(c3ccccc3Cl)C2=O)c1 ZINC000449147163 563907541 /nfs/dbraw/zinc/90/75/41/563907541.db2.gz FQKHMMKYVYBPDG-MRXNPFEDSA-N 1 0 378.881 2.639 20 0 GFADRO O=S(=O)(C1CC1)N1CCC([NH2+]Cc2cccc(Br)c2F)CC1 ZINC000449183478 563907739 /nfs/dbraw/zinc/90/77/39/563907739.db2.gz FXSKCSWQTRVHEX-UHFFFAOYSA-N 1 0 391.306 2.634 20 0 GFADRO COc1cc(F)cc(C[NH2+]CCNS(=O)(=O)c2ccc(Cl)s2)c1 ZINC000449184102 563907910 /nfs/dbraw/zinc/90/79/10/563907910.db2.gz FLCHSGYZMXLJOA-UHFFFAOYSA-N 1 0 378.878 2.617 20 0 GFADRO C[C@@H](CC[NH2+][C@@H](C)c1ccc(S(=O)(=O)N2CCCCC2)cc1)[S@](C)=O ZINC000537962711 564178267 /nfs/dbraw/zinc/17/82/67/564178267.db2.gz IFZMUCZTICHNPS-YWTKSJFSSA-N 1 0 386.583 2.669 20 0 GFADRO COc1ccc([C@@H](C)[NH2+]C[C@@H](O)CS(=O)(=O)c2cccs2)cc1Cl ZINC000537951323 564178342 /nfs/dbraw/zinc/17/83/42/564178342.db2.gz IGVAGZZYGGNSRT-DGCLKSJQSA-N 1 0 389.926 2.896 20 0 GFADRO Cn1cc(N2CC[C@H]([NH2+][C@@H]3CCCc4ccc(Br)cc43)C2=O)cn1 ZINC000537971376 564178440 /nfs/dbraw/zinc/17/84/40/564178440.db2.gz LUIPSEJLABVQNM-SJORKVTESA-N 1 0 389.297 2.955 20 0 GFADRO CCOCCOC[C@@H](O)C[NH2+]Cc1cc(Cl)c(C)cc1Br ZINC000449284666 564178573 /nfs/dbraw/zinc/17/85/73/564178573.db2.gz ONKSASBXULLOSX-ZDUSSCGKSA-N 1 0 380.710 2.915 20 0 GFADRO COC(=O)COC[C@@H](C)[NH2+][C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O ZINC000449281297 564178636 /nfs/dbraw/zinc/17/86/36/564178636.db2.gz YZEPDDGUKJTQIJ-BXUZGUMPSA-N 1 0 389.279 2.657 20 0 GFADRO C[C@H](C[NH2+]Cc1ccc(C[S@](C)=O)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000449319486 564180754 /nfs/dbraw/zinc/18/07/54/564180754.db2.gz KBXNEDLOLOARNK-MYYSRTQBSA-N 1 0 379.547 2.862 20 0 GFADRO CC[N@@H+](Cc1cc(Br)ccc1O[C@H](C)C(=O)NC)C[C@H](C)OC ZINC000449336935 564182155 /nfs/dbraw/zinc/18/21/55/564182155.db2.gz PSRSAOULVWBOSQ-QWHCGFSZSA-N 1 0 387.318 2.819 20 0 GFADRO Cc1nn(C(C)(C)C)c(C)c1C[NH2+]CCn1cc(Br)ccc1=O ZINC000449374980 564182965 /nfs/dbraw/zinc/18/29/65/564182965.db2.gz HBGQAIZFTRQATE-UHFFFAOYSA-N 1 0 381.318 2.969 20 0 GFADRO CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CCn2cc(Br)ccc2=O)C[C@H]1C ZINC000449381098 564183372 /nfs/dbraw/zinc/18/33/72/564183372.db2.gz XQPWKCALKVLATE-BPLDGKMQSA-N 1 0 385.302 2.568 20 0 GFADRO Cc1nc(C[NH2+]C2CCC(CS(C)(=O)=O)CC2)sc1Br ZINC000449400538 564184046 /nfs/dbraw/zinc/18/40/46/564184046.db2.gz JKHKZCWYPDCWDZ-UHFFFAOYSA-N 1 0 381.361 2.907 20 0 GFADRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)COc3ccc(Br)cc3F)C2)C1 ZINC000505503365 564184910 /nfs/dbraw/zinc/18/49/10/564184910.db2.gz OYNSFYSFHUVMIF-QGZVFWFLSA-N 1 0 385.277 2.911 20 0 GFADRO C[N@@H+]1CCC[C@]2(CCN(C(=O)Cc3ccc(I)cc3)C2)C1 ZINC000505587968 564185390 /nfs/dbraw/zinc/18/53/90/564185390.db2.gz PWPMURZLSQYILQ-KRWDZBQOSA-N 1 0 398.288 2.778 20 0 GFADRO C[C@H]([NH2+]Cc1cc(=O)n2cc(Cl)ccc2n1)c1ccc([S@](C)=O)cc1 ZINC000538268800 564186406 /nfs/dbraw/zinc/18/64/06/564186406.db2.gz NRLPZSXVLMIYTM-VDBVYFBLSA-N 1 0 375.881 2.936 20 0 GFADRO CO[C@@H]1COCC[C@@H]1C[NH2+][C@@H](C)CC(=O)Nc1ccc(Br)cc1 ZINC000449457886 564186910 /nfs/dbraw/zinc/18/69/10/564186910.db2.gz OHJQOERHODSYFM-WOSRLPQWSA-N 1 0 385.302 2.807 20 0 GFADRO CCCN(CCC[NH+](C)C)C(=O)C(=O)Nc1ccc(F)c(Br)c1 ZINC000471191799 564188460 /nfs/dbraw/zinc/18/84/60/564188460.db2.gz TZQBVNRYNLJCMB-UHFFFAOYSA-N 1 0 388.281 2.717 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[N@@H+]1CC[C@@H](OC)[C@H](C)C1 ZINC000449492920 564188976 /nfs/dbraw/zinc/18/89/76/564188976.db2.gz CUQMRTMHBJMYNP-DVOMOZLQSA-N 1 0 399.329 2.819 20 0 GFADRO C[N@@H+]1CCN(C(=O)c2ccccc2-n2cc(Br)cn2)CC1(C)C ZINC000563397312 564189628 /nfs/dbraw/zinc/18/96/28/564189628.db2.gz DEDUHNNMUIKRKC-UHFFFAOYSA-N 1 0 377.286 2.801 20 0 GFADRO Cc1c(I)cccc1C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000471224396 564190061 /nfs/dbraw/zinc/19/00/61/564190061.db2.gz OJKXEXNOVFCPAX-HUUCEWRRSA-N 1 0 384.261 2.956 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]Cc1cnccc1C ZINC000449526341 564190175 /nfs/dbraw/zinc/19/01/75/564190175.db2.gz VTMCQQLZYWUTIK-ZDUSSCGKSA-N 1 0 392.297 2.956 20 0 GFADRO C[C@@H]1CN(C(=O)c2ccc(I)cc2Cl)[C@@H](C)C[NH2+]1 ZINC000505896917 564192181 /nfs/dbraw/zinc/19/21/81/564192181.db2.gz XGCVANMZBFLLEH-BDAKNGLRSA-N 1 0 378.641 2.767 20 0 GFADRO [NH3+][C@H]1CCO[C@@H](C2CCN(Cc3cc4c(c(Br)c3)OCO4)CC2)C1 ZINC000563519411 564193934 /nfs/dbraw/zinc/19/39/34/564193934.db2.gz OJEFXCMWRFGJQU-GOEBONIOSA-N 1 0 397.313 2.896 20 0 GFADRO C[C@@H](Oc1cc(Cl)cc(Cl)c1)C(=O)NCC1([NH+](C)C)CCOCC1 ZINC000506021928 564195200 /nfs/dbraw/zinc/19/52/00/564195200.db2.gz JBKAIIWBASKBET-GFCCVEGCSA-N 1 0 375.296 2.988 20 0 GFADRO CCn1nccc1C[NH2+]C[C@H](CO)Cc1cc(Br)ccc1OC ZINC000449678661 564195691 /nfs/dbraw/zinc/19/56/91/564195691.db2.gz GBAFLHHSKNMJFT-CYBMUJFWSA-N 1 0 382.302 2.615 20 0 GFADRO CC(C)(C)n1cc(C[NH2+]C[C@H](CO)Cc2ccc(F)c(Br)c2)nn1 ZINC000449681555 564196035 /nfs/dbraw/zinc/19/60/35/564196035.db2.gz JNVRCELFEGDRJP-CYBMUJFWSA-N 1 0 399.308 2.876 20 0 GFADRO Cc1cc(CN2CC[NH+]([C@@H]3CCNC(=O)CC3)CC2)ccc1Br ZINC000449700096 564196942 /nfs/dbraw/zinc/19/69/42/564196942.db2.gz PJQFGTXSTDCGAZ-INIZCTEOSA-N 1 0 380.330 2.544 20 0 GFADRO CC1(C)C[NH2+]CC[C@@H]1NC(=O)[C@H]1CCN(c2cc(Cl)ccc2Cl)C1=O ZINC000449696994 564197058 /nfs/dbraw/zinc/19/70/58/564197058.db2.gz JPDLYONQFFJSQJ-DOMZBBRYSA-N 1 0 384.307 2.851 20 0 GFADRO CN(C)C(=O)CC[NH+]1CCN(Cc2ccc(OC(F)F)c(Cl)c2)CC1 ZINC000538725494 564198087 /nfs/dbraw/zinc/19/80/87/564198087.db2.gz YXFUPFZBFJALHD-UHFFFAOYSA-N 1 0 375.847 2.537 20 0 GFADRO [NH3+]C[C@@H]1CC[C@H](NC(=O)[C@H]2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)C1 ZINC000449712047 564198086 /nfs/dbraw/zinc/19/80/86/564198086.db2.gz GCNWRYKQHWIKPQ-XFBWCDHKSA-N 1 0 384.307 2.842 20 0 GFADRO COCCNS(=O)(=O)c1ccc(C[NH2+][C@H](C)c2sccc2OC)cc1 ZINC000471602301 564199750 /nfs/dbraw/zinc/19/97/50/564199750.db2.gz BRHDVOUSJUYXEZ-CYBMUJFWSA-N 1 0 384.523 2.532 20 0 GFADRO CC[C@H]1C[C@@H](CNc2cc(N3CCOCC3)c(Br)c[nH+]2)CCO1 ZINC000449764788 564200982 /nfs/dbraw/zinc/20/09/82/564200982.db2.gz DNCFQADLMYSXEZ-KBPBESRZSA-N 1 0 384.318 3.298 20 0 GFADRO COc1cccc([C@H](CNC(=O)NCCSCC(F)(F)F)[NH+](C)C)c1 ZINC000538791457 564201373 /nfs/dbraw/zinc/20/13/73/564201373.db2.gz ZDVCKTXDDZBDKF-AWEZNQCLSA-N 1 0 379.448 2.893 20 0 GFADRO CC(C)[N@H+](C)CC(=O)NCc1ccc(I)c(Cl)c1 ZINC000506375900 564201700 /nfs/dbraw/zinc/20/17/00/564201700.db2.gz WKHUSFPCEGXQRI-UHFFFAOYSA-N 1 0 380.657 2.901 20 0 GFADRO OCC1([NH2+]Cc2cc3c(c(Br)c2)OCO3)Cc2ccccc2C1 ZINC000563724448 564204182 /nfs/dbraw/zinc/20/41/82/564204182.db2.gz LUTUAAZLJDRUNV-UHFFFAOYSA-N 1 0 376.250 2.797 20 0 GFADRO C[C@]1(CNS(=O)(=O)Cc2cc(Cl)ccc2Br)CCC[NH2+]C1 ZINC000563715946 564204253 /nfs/dbraw/zinc/20/42/53/564204253.db2.gz OSFKWDDPKBGNEE-AWEZNQCLSA-N 1 0 395.750 2.912 20 0 GFADRO C[N@H+](CCNC(=O)NCCCCn1cc(Br)cn1)C1CCCC1 ZINC000471840458 564205172 /nfs/dbraw/zinc/20/51/72/564205172.db2.gz SZMBXGPHTBZGID-UHFFFAOYSA-N 1 0 386.338 2.599 20 0 GFADRO CN(CC[NH+](C)C)C(=O)C(=O)NCC1(c2c(Cl)cccc2Cl)CCC1 ZINC000563769634 564206062 /nfs/dbraw/zinc/20/60/62/564206062.db2.gz FPHGAYYERQJQCS-UHFFFAOYSA-N 1 0 386.323 2.551 20 0 GFADRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)c1ccc(I)cc1F ZINC000449871083 564206952 /nfs/dbraw/zinc/20/69/52/564206952.db2.gz SARPSSUNYAULDU-NSHDSACASA-N 1 0 390.240 2.844 20 0 GFADRO O=C(NCC[NH2+]Cc1cccc(I)c1)c1ccccc1 ZINC000563800504 564207812 /nfs/dbraw/zinc/20/78/12/564207812.db2.gz USPPTMDXPYTYJT-UHFFFAOYSA-N 1 0 380.229 2.811 20 0 GFADRO CSCC[C@@H](CO)[NH2+][C@H](C)CC(=O)Nc1cccc(Br)c1 ZINC000539057335 564208533 /nfs/dbraw/zinc/20/85/33/564208533.db2.gz YQYYXVKSNTYUMH-RISCZKNCSA-N 1 0 375.332 2.870 20 0 GFADRO C[C@H]1CN(C(=O)c2cc(I)ccc2Cl)C[C@H]1[NH+](C)C ZINC000472041279 564210695 /nfs/dbraw/zinc/21/06/95/564210695.db2.gz FCDAKXYGNVSKGF-TVQRCGJNSA-N 1 0 392.668 2.967 20 0 GFADRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1cn2ccc(Br)cc2n1 ZINC000506737051 564210894 /nfs/dbraw/zinc/21/08/94/564210894.db2.gz WHPQFJZORZYVLJ-CHWSQXEVSA-N 1 0 379.302 2.947 20 0 GFADRO Cc1ccc2[nH]c(C[NH2+]C[C@@H](O)CS(=O)(=O)c3cccs3)cc2c1C ZINC000472075859 564212018 /nfs/dbraw/zinc/21/20/18/564212018.db2.gz QZDKUGQWXIYARX-OAHLLOKOSA-N 1 0 378.519 2.771 20 0 GFADRO CN(C(=O)c1ccccc1-n1cc(Br)cn1)[C@H]1CCC[N@H+](C)C1 ZINC000449997935 564212466 /nfs/dbraw/zinc/21/24/66/564212466.db2.gz VZKOGHHRMILZQX-AWEZNQCLSA-N 1 0 377.286 2.801 20 0 GFADRO O=C(NC[C@@H]1C[NH2+]CCCO1)N[C@H](c1ccc(Br)cc1)C1CCC1 ZINC000563944896 564213720 /nfs/dbraw/zinc/21/37/20/564213720.db2.gz DLMNMVQPNBUXMF-IRXDYDNUSA-N 1 0 396.329 2.968 20 0 GFADRO COC[C@@H](O)C[N@H+](Cc1cccc(Br)c1)CC1(O)CCCCC1 ZINC000472164351 564214284 /nfs/dbraw/zinc/21/42/84/564214284.db2.gz SWCVOXXLAGAJDC-KRWDZBQOSA-N 1 0 386.330 2.954 20 0 GFADRO C[C@@H]1CSc2ccc(Br)cc2[C@@H]1[NH2+]CCCNS(C)(=O)=O ZINC000539306804 564215923 /nfs/dbraw/zinc/21/59/23/564215923.db2.gz RBNIVQBLDQHUJG-QMTHXVAHSA-N 1 0 393.372 2.761 20 0 GFADRO [NH3+]CCCCNC(=O)c1ccc(I)c(Br)c1 ZINC000564083629 564219429 /nfs/dbraw/zinc/21/94/29/564219429.db2.gz NTXUOYISQPZCME-UHFFFAOYSA-N 1 0 397.054 2.522 20 0 GFADRO C[C@@H](CNC(=O)c1cn2ccc(Br)cc2n1)C[NH+]1CCCCC1 ZINC000507186645 564220638 /nfs/dbraw/zinc/22/06/38/564220638.db2.gz GBYRHBKYKQPHBK-ZDUSSCGKSA-N 1 0 379.302 2.949 20 0 GFADRO C[NH+]1CCN(CCNc2ccc3c(Cl)ccc(Br)c3n2)CC1 ZINC000450234737 564223103 /nfs/dbraw/zinc/22/31/03/564223103.db2.gz SCGBRHPUOBXIOU-UHFFFAOYSA-N 1 0 383.721 3.310 20 0 GFADRO CC[NH+](CC)[C@H](C)CNC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000472464171 564223574 /nfs/dbraw/zinc/22/35/74/564223574.db2.gz QSUGNMXPBGZPAD-CYBMUJFWSA-N 1 0 388.343 2.950 20 0 GFADRO COCC[N@H+](C)CCNC(=O)N1CCC(c2ccc(Br)cc2)CC1 ZINC000507257914 564224451 /nfs/dbraw/zinc/22/44/51/564224451.db2.gz NPTMEVASQALLGJ-UHFFFAOYSA-N 1 0 398.345 2.916 20 0 GFADRO CCN1CCN(C(=O)C(=O)Nc2nc(-c3ccc(C)s3)cs2)[C@H](C)C1 ZINC000507448572 564228984 /nfs/dbraw/zinc/22/89/84/564228984.db2.gz KNBWGCYRHHFDRR-LLVKDONJSA-N 1 0 378.523 2.671 20 0 GFADRO C[C@@H]1CC[C@H]([N@H+](CCO)CC(=O)N(C)Cc2ccccc2Br)C1 ZINC000564390294 564231599 /nfs/dbraw/zinc/23/15/99/564231599.db2.gz LFSZKVOSLQUTGD-ZBFHGGJFSA-N 1 0 383.330 2.890 20 0 GFADRO C[N@H+](CCO)C1CCN(C(=O)c2cc(Cl)c(F)cc2Br)CC1 ZINC000450409376 564231851 /nfs/dbraw/zinc/23/18/51/564231851.db2.gz LHTZNLRTMWRKIH-UHFFFAOYSA-N 1 0 393.684 2.770 20 0 GFADRO COC1CCC([NH2+]C[C@H](O)COc2cc(F)cc(Br)c2)CC1 ZINC000564444950 564234318 /nfs/dbraw/zinc/23/43/18/564234318.db2.gz YBTOIHBEQYSRTK-SLTAFYQDSA-N 1 0 376.266 2.875 20 0 GFADRO CC[C@@H](C)[NH2+][C@H](CNS(=O)(=O)c1cccc2nsnc21)c1ccco1 ZINC000564478405 564235667 /nfs/dbraw/zinc/23/56/67/564235667.db2.gz SVRLLMBXPYLEKM-DGCLKSJQSA-N 1 0 380.495 2.692 20 0 GFADRO CCC[N@H+](CC)CCNC(=O)NCc1cn2cc(Br)ccc2n1 ZINC000472956134 564238260 /nfs/dbraw/zinc/23/82/60/564238260.db2.gz UPBHIWIXEWZCLL-UHFFFAOYSA-N 1 0 382.306 2.628 20 0 GFADRO CCN(CCC[NH+](CC)CC)C(=O)c1cncc(I)c1 ZINC000473002213 564238455 /nfs/dbraw/zinc/23/84/55/564238455.db2.gz RKVMMLBBGFUUFI-UHFFFAOYSA-N 1 0 389.281 2.880 20 0 GFADRO O=C(Nc1ccccc1Br)C1CC[NH+](C[C@@H]2COCCO2)CC1 ZINC000450548442 564239048 /nfs/dbraw/zinc/23/90/48/564239048.db2.gz HSMVNHREQJHTQY-CQSZACIVSA-N 1 0 383.286 2.515 20 0 GFADRO CC[NH+](CC)CC(=O)N1CCN(CCOc2cc(Cl)ccc2Cl)CC1 ZINC000507729545 564241367 /nfs/dbraw/zinc/24/13/67/564241367.db2.gz ARHHMNIIUUGCMZ-UHFFFAOYSA-N 1 0 388.339 2.858 20 0 GFADRO COCCN1CCC([NH2+]C[C@H]2CCN(c3ccc(Br)cc3)C2)CC1 ZINC000540192297 564241633 /nfs/dbraw/zinc/24/16/33/564241633.db2.gz CSABBBPIKYEVDJ-MRXNPFEDSA-N 1 0 396.373 2.976 20 0 GFADRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)c1cc(Br)cnc1OCC1CC1 ZINC000507741231 564242232 /nfs/dbraw/zinc/24/22/32/564242232.db2.gz QEMKNUOBQWSDLU-ZDUSSCGKSA-N 1 0 394.313 2.847 20 0 GFADRO Cc1c(Br)c2ccccc2n1CC(=O)NC[C@](C)(O)CC[NH+](C)C ZINC000473268200 564242355 /nfs/dbraw/zinc/24/23/55/564242355.db2.gz HRHLMLWDZMGULU-GOSISDBHSA-N 1 0 396.329 2.531 20 0 GFADRO COCCOC[C@@H](O)C[NH+]1CCC(C)(c2cccc(Br)c2)CC1 ZINC000450643076 564242864 /nfs/dbraw/zinc/24/28/64/564242864.db2.gz DFIJYPKUASOBMM-KRWDZBQOSA-N 1 0 386.330 2.827 20 0 GFADRO C[NH+]1CCC(CCO)(NC(=O)c2cc3c(ccc(F)c3Br)[nH]2)CC1 ZINC000450682968 564243926 /nfs/dbraw/zinc/24/39/26/564243926.db2.gz PONQGDZYZUVKSV-UHFFFAOYSA-N 1 0 398.276 2.646 20 0 GFADRO Cc1c([C@H](C)[NH2+]CCc2cn[nH]c2)nnn1-c1cccc(Br)c1 ZINC000564688932 564245466 /nfs/dbraw/zinc/24/54/66/564245466.db2.gz FCTJDAXJNCRVMT-NSHDSACASA-N 1 0 375.274 2.955 20 0 GFADRO COc1ccc(Br)c(C[NH2+][C@H]2CCCC[C@H]2S(C)(=O)=O)c1 ZINC000540411791 564248052 /nfs/dbraw/zinc/24/80/52/564248052.db2.gz IEPHOCUUDXZQEK-LSDHHAIUSA-N 1 0 376.316 2.903 20 0 GFADRO C[C@@H]1CN(c2cnn(C)c(=O)c2Br)CC[N@H+](Cc2ccccc2)C1 ZINC000450812958 564249296 /nfs/dbraw/zinc/24/92/96/564249296.db2.gz RCJZZEXOUPATRA-AWEZNQCLSA-N 1 0 391.313 2.501 20 0 GFADRO CC(=O)Nc1ccc(OC[C@H](O)C[NH2+]Cc2ccccc2Br)cc1 ZINC000564845719 564251327 /nfs/dbraw/zinc/25/13/27/564251327.db2.gz WHIJREWETQZMBC-MRXNPFEDSA-N 1 0 393.281 2.937 20 0 GFADRO Cc1cc(NC(=O)C[NH2+]C[C@@H]2CCCO2)nn1-c1ccc(Cl)cc1Cl ZINC000564838500 564251446 /nfs/dbraw/zinc/25/14/46/564251446.db2.gz NKZCTLOBABXHTF-ZDUSSCGKSA-N 1 0 383.279 3.195 20 0 GFADRO C[C@@H]1CN(C[C@@H](O)C[NH2+]CC2(c3ccccc3Br)CC2)C[C@H](C)O1 ZINC000564855342 564252746 /nfs/dbraw/zinc/25/27/46/564252746.db2.gz QOEORSOUVJHQRL-XHSDSOJGSA-N 1 0 397.357 2.540 20 0 GFADRO Cc1cc(NC(=O)CC[NH2+]C[C@@H](C)Oc2cccc(Br)c2)no1 ZINC000564850486 564252987 /nfs/dbraw/zinc/25/29/87/564252987.db2.gz UNZCVPAOEVHAGT-GFCCVEGCSA-N 1 0 382.258 3.131 20 0 GFADRO CCOC(=O)CC[C@H](O)C[NH2+]CCc1ccc(Br)cc1Cl ZINC000564859362 564253547 /nfs/dbraw/zinc/25/35/47/564253547.db2.gz GNMUSHYYEXAYCS-ZDUSSCGKSA-N 1 0 378.694 2.939 20 0 GFADRO COc1ccc(Br)c(CNC(=O)N(C)CC2CC[NH+](C)CC2)c1 ZINC000508117230 564254633 /nfs/dbraw/zinc/25/46/33/564254633.db2.gz MVSBJUODNYBGIG-UHFFFAOYSA-N 1 0 384.318 2.941 20 0 GFADRO COCCOC[C@H](O)C[NH+]1CCC(C)(c2ccc(Br)cc2)CC1 ZINC000450913389 564255158 /nfs/dbraw/zinc/25/51/58/564255158.db2.gz NWBHKEZHCOLXOE-QGZVFWFLSA-N 1 0 386.330 2.827 20 0 GFADRO CN1C[C@@H]2[C@@H](CCC[N@@H+]2CCCC(=O)c2ccc(Br)cc2)C1=O ZINC000450952226 564255954 /nfs/dbraw/zinc/25/59/54/564255954.db2.gz HNBLRSHKJNDAEI-HZPDHXFCSA-N 1 0 379.298 2.965 20 0 GFADRO Cc1ccc(Br)cc1C[NH+]1CCC([C@H]2OCC[C@@H]2C(N)=O)CC1 ZINC000450945843 564256066 /nfs/dbraw/zinc/25/60/66/564256066.db2.gz LPULMWHOOXZUQA-DLBZAZTESA-N 1 0 381.314 2.860 20 0 GFADRO COc1ccc(Br)cc1CNC(=O)[C@H]1C[NH2+]Cc2ccccc21 ZINC000564914433 564256658 /nfs/dbraw/zinc/25/66/58/564256658.db2.gz VZLHIUDJQJYFML-INIZCTEOSA-N 1 0 375.266 2.961 20 0 GFADRO O=S(=O)(c1ccc(Br)c(F)c1)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000564966379 564259656 /nfs/dbraw/zinc/25/96/56/564259656.db2.gz HZFUIZOYLQHBFS-NEPJUHHUSA-N 1 0 391.306 2.598 20 0 GFADRO Cc1c(Br)cccc1S(=O)(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000474064909 564263516 /nfs/dbraw/zinc/26/35/16/564263516.db2.gz YBHHXWDNRAVSMD-GFCCVEGCSA-N 1 0 375.332 2.768 20 0 GFADRO C[NH+]1CCC(N(Cc2ccco2)S(=O)(=O)C[C@@H]2CCCC2(F)F)CC1 ZINC000451024372 564263726 /nfs/dbraw/zinc/26/37/26/564263726.db2.gz WKMIJVYQNUUPGV-AWEZNQCLSA-N 1 0 376.469 2.941 20 0 GFADRO CCCC[N@H+](C)CCNS(=O)(=O)c1cc(Br)c(C)cc1OC ZINC000474138888 564266508 /nfs/dbraw/zinc/26/65/08/564266508.db2.gz VXEOQCBMAFZTAR-UHFFFAOYSA-N 1 0 393.347 2.776 20 0 GFADRO CC[NH+](CC)CCO[C@@H]1CCN(S(=O)(=O)c2cc(F)ccc2Cl)C1 ZINC000474171903 564268725 /nfs/dbraw/zinc/26/87/25/564268725.db2.gz PPWLPYXHZQLJSK-CQSZACIVSA-N 1 0 378.897 2.601 20 0 GFADRO C[NH+](C)[C@@H]1CCCN(C(=O)N[C@H]2COc3cc(F)c(Br)cc32)C1 ZINC000508668352 564269763 /nfs/dbraw/zinc/26/97/63/564269763.db2.gz UUCRAXKQZYWPJQ-YGRLFVJLSA-N 1 0 386.265 2.757 20 0 GFADRO COc1ccc(C[NH+]2CCC(CNS(=O)(=O)c3ccsc3)CC2)cc1 ZINC000508745928 564271295 /nfs/dbraw/zinc/27/12/95/564271295.db2.gz HTWCGIQIPLXNJK-UHFFFAOYSA-N 1 0 380.535 2.947 20 0 GFADRO COCCOC[C@@H](O)C[N@@H+]1CCCC[C@H]1Cc1ccccc1Br ZINC000451085459 564272002 /nfs/dbraw/zinc/27/20/02/564272002.db2.gz ZIMDEFWFEFZHDA-IRXDYDNUSA-N 1 0 386.330 2.870 20 0 GFADRO CC(C)Sc1cc(Br)ccc1CN1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000565232887 564272035 /nfs/dbraw/zinc/27/20/35/564272035.db2.gz GFNTVTYQABORHT-CABCVRRESA-N 1 0 398.370 2.693 20 0 GFADRO COCCOC[C@H](O)C[N@@H+]1CCCC[C@H]1Cc1ccccc1Br ZINC000451085457 564272184 /nfs/dbraw/zinc/27/21/84/564272184.db2.gz ZIMDEFWFEFZHDA-DLBZAZTESA-N 1 0 386.330 2.870 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)C[NH2+][C@@H](C1CC1)[C@@]1(CO)CCCO1 ZINC000565260410 564272840 /nfs/dbraw/zinc/27/28/40/564272840.db2.gz WFYQVGFGMXNPIC-ROUUACIJSA-N 1 0 397.313 2.606 20 0 GFADRO CC[N@@H+]1CCCN(c2nnc(-c3cc(F)ccc3Br)n2C)CC1 ZINC000565272474 564273792 /nfs/dbraw/zinc/27/37/92/564273792.db2.gz MZXAIULYDAOAHV-UHFFFAOYSA-N 1 0 382.281 2.916 20 0 GFADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)N1CCSCC1 ZINC000508824341 564274277 /nfs/dbraw/zinc/27/42/77/564274277.db2.gz WSKGKLCPNCSISA-UHFFFAOYSA-N 1 0 386.359 2.982 20 0 GFADRO FC(F)(F)COCC[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000474341409 564275350 /nfs/dbraw/zinc/27/53/50/564275350.db2.gz JBPHAJWVLBEKRY-UHFFFAOYSA-N 1 0 397.235 2.954 20 0 GFADRO C[NH+](C)CCOc1ccc(CCNS(=O)(=O)c2sccc2Cl)cc1 ZINC000451166817 564281747 /nfs/dbraw/zinc/28/17/47/564281747.db2.gz PQCWHEGATHKVKU-UHFFFAOYSA-N 1 0 388.942 2.863 20 0 GFADRO CN(CC1CC[NH+](C)CC1)S(=O)(=O)Cc1ccc(Br)c(F)c1 ZINC000451165424 564282037 /nfs/dbraw/zinc/28/20/37/564282037.db2.gz KZLBZJKWNPGFLT-UHFFFAOYSA-N 1 0 393.322 2.692 20 0 GFADRO C[N@H+](CCNS(=O)(=O)Cc1ccc(Br)c(F)c1)C1CCCC1 ZINC000451173340 564282814 /nfs/dbraw/zinc/28/28/14/564282814.db2.gz RQMXQDAUGAKKNR-UHFFFAOYSA-N 1 0 393.322 2.882 20 0 GFADRO CCC[C@H]1C[NH2+]CCN1C(=O)C[C@H](NC(C)=O)c1ccc(Br)cc1 ZINC000565539720 564285415 /nfs/dbraw/zinc/28/54/15/564285415.db2.gz KOSSQVFTJCXFGI-IRXDYDNUSA-N 1 0 396.329 2.617 20 0 GFADRO C[C@H]([NH2+]CCS(=O)(=O)N1CCSCC1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000474708097 564286682 /nfs/dbraw/zinc/28/66/82/564286682.db2.gz BOKZMPNXRDWQOI-RWMBFGLXSA-N 1 0 395.015 2.862 20 0 GFADRO C[NH+](C)C1CN(C(=O)Nc2ccc(I)cc2Cl)C1 ZINC000541714817 564286744 /nfs/dbraw/zinc/28/67/44/564286744.db2.gz PEGZAEGRJWTYMK-UHFFFAOYSA-N 1 0 379.629 2.722 20 0 GFADRO COC(=O)C[C@@H]1CC[C@H]([NH2+]CCNC(=O)c2cccc(Br)c2)[C@H]1C ZINC000474706384 564286970 /nfs/dbraw/zinc/28/69/70/564286970.db2.gz AZPTYDVOQDNLBW-XEZPLFJOSA-N 1 0 397.313 2.746 20 0 GFADRO CC1CC[NH+](CC(=O)N[C@H]2CCN(c3ccccc3Br)C2)CC1 ZINC000474741776 564287672 /nfs/dbraw/zinc/28/76/72/564287672.db2.gz RJWPUKDVBSSTOX-HNNXBMFYSA-N 1 0 380.330 2.876 20 0 GFADRO Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@@H]2[NH2+]C[C@@](C)(O)C(F)(F)F)cc1 ZINC000541777707 564289080 /nfs/dbraw/zinc/28/90/80/564289080.db2.gz JQOHDHZNAXGMRA-ARFHVFGLSA-N 1 0 379.444 2.983 20 0 GFADRO COC[C@H](CCO)[NH2+][C@@H](C)CCc1ccc(I)cc1 ZINC000474810620 564290254 /nfs/dbraw/zinc/29/02/54/564290254.db2.gz PPWAQTITBRFFRY-WFASDCNBSA-N 1 0 377.266 2.599 20 0 GFADRO COc1ccc(Br)c(CNC(=O)CCN(C)c2cc[nH+]cc2)c1 ZINC000541855406 564292576 /nfs/dbraw/zinc/29/25/76/564292576.db2.gz NCXFPZGFKKISGT-UHFFFAOYSA-N 1 0 378.270 2.995 20 0 GFADRO COc1ccc(C(=O)N[C@H](C)C[N@H+](C)C(C)C)cc1I ZINC000565709668 564292836 /nfs/dbraw/zinc/29/28/36/564292836.db2.gz IMXOQNBTPOBICH-LLVKDONJSA-N 1 0 390.265 2.758 20 0 GFADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C(=O)N(C)Cc2ccc(Cl)s2)C1 ZINC000565730491 564294148 /nfs/dbraw/zinc/29/41/48/564294148.db2.gz OMVPVRVCIFNIIR-OKILXGFUSA-N 1 0 385.961 2.844 20 0 GFADRO COC(=O)[C@H]1Cc2c(Br)cccc2CN1CC[C@@H]1CCC[N@@H+]1C ZINC000451279004 564294944 /nfs/dbraw/zinc/29/49/44/564294944.db2.gz PXKNEKFZVGOANF-WMLDXEAASA-N 1 0 381.314 2.833 20 0 GFADRO C[NH+](C)CC1CCN(C(=O)c2cc(I)ccc2F)CC1 ZINC000474938552 564295075 /nfs/dbraw/zinc/29/50/75/564295075.db2.gz NEHDKGIQSLJFDQ-UHFFFAOYSA-N 1 0 390.240 2.844 20 0 GFADRO C[C@](O)(C[NH2+]C[C@H](CO)Cc1cccc(OC(F)(F)F)c1)C(F)(F)F ZINC000565775317 564296094 /nfs/dbraw/zinc/29/60/94/564296094.db2.gz NBSGAELYZFLTPN-YPMHNXCESA-N 1 0 375.309 2.639 20 0 GFADRO Cc1csc(S(=O)(=O)N2CCC(CC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)c1 ZINC000451291358 564296903 /nfs/dbraw/zinc/29/69/03/564296903.db2.gz OAMGYXTWHDZOQL-HOTGVXAUSA-N 1 0 386.583 2.957 20 0 GFADRO CC[N@@H+]1CC[C@@H](CNC(=O)c2cc(I)c(C)cc2C)C1 ZINC000475021304 564297635 /nfs/dbraw/zinc/29/76/35/564297635.db2.gz AMETZWIDGMPWSJ-ZDUSSCGKSA-N 1 0 386.277 2.980 20 0 GFADRO CC[C@@H](CCO)C[NH2+]C[C@H](O)COc1ccc(Cl)cc1Br ZINC000565833441 564297849 /nfs/dbraw/zinc/29/78/49/564297849.db2.gz DEUOYBHVNMGSKE-AAEUAGOBSA-N 1 0 380.710 2.840 20 0 GFADRO COc1cc(C(F)(F)F)cc(S(=O)(=O)N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c1 ZINC000451297387 564298061 /nfs/dbraw/zinc/29/80/61/564298061.db2.gz NXMXUNDVHYTNOH-PWSUYJOCSA-N 1 0 378.416 2.618 20 0 GFADRO COc1cc(C(F)(F)F)cc(S(=O)(=O)N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)c1 ZINC000451297385 564298122 /nfs/dbraw/zinc/29/81/22/564298122.db2.gz NXMXUNDVHYTNOH-JQWIXIFHSA-N 1 0 378.416 2.618 20 0 GFADRO O=C(NC[C@]1(O)C[NH+]2CCC1CC2)c1ccc2scc(Br)c2c1 ZINC000565844124 564298745 /nfs/dbraw/zinc/29/87/45/564298745.db2.gz SGCRWCNGUZGHTF-KRWDZBQOSA-N 1 0 395.322 2.850 20 0 GFADRO C[C@@H]1CN(C[C@H](O)COc2ccc(Cl)cc2Br)[C@@H](C)C[N@@H+]1C ZINC000509446860 564299549 /nfs/dbraw/zinc/29/95/49/564299549.db2.gz AVFVRYHFAFQYIZ-DYEKYZERSA-N 1 0 391.737 2.867 20 0 GFADRO C[C@@H]1CN(C[C@@H](O)COc2ccc(Cl)cc2Br)[C@@H](C)C[N@@H+]1C ZINC000509446861 564299589 /nfs/dbraw/zinc/29/95/89/564299589.db2.gz AVFVRYHFAFQYIZ-MBNYWOFBSA-N 1 0 391.737 2.867 20 0 GFADRO COCC[N@@H+]1CC[C@H](NC(=O)c2cc3cc(C)cc(Br)c3o2)C1 ZINC000542081892 564300583 /nfs/dbraw/zinc/30/05/83/564300583.db2.gz JMVLPFDRGPHKHY-ZDUSSCGKSA-N 1 0 381.270 2.954 20 0 GFADRO COC1CC[NH+](C(C)(C)CNS(=O)(=O)CCc2cccc(Cl)c2)CC1 ZINC000509483395 564301273 /nfs/dbraw/zinc/30/12/73/564301273.db2.gz KRWPVDXMHZZSMT-UHFFFAOYSA-N 1 0 388.961 2.691 20 0 GFADRO CC[N@H+](CCNC(=O)C(=O)Nc1cc(Br)c(F)cc1C)C(C)C ZINC000475266189 564304602 /nfs/dbraw/zinc/30/46/02/564304602.db2.gz QUSQHTRDIKZSOP-UHFFFAOYSA-N 1 0 388.281 2.682 20 0 GFADRO CC(=O)N1CCC[C@@H](C[NH2+]Cc2cc(Br)c3c(c2)OCCCO3)C1 ZINC000475431029 564307443 /nfs/dbraw/zinc/30/74/43/564307443.db2.gz ZBBKAVCRJZEIQI-AWEZNQCLSA-N 1 0 397.313 2.959 20 0 GFADRO C[NH+](C)CCN(Cc1ccsc1)C(=O)c1ccc2c(c1)SCC(=O)N2 ZINC000566053973 564307505 /nfs/dbraw/zinc/30/75/05/564307505.db2.gz WDSLUHZYYSTWAO-UHFFFAOYSA-N 1 0 375.519 2.996 20 0 GFADRO O=C(NCCCC[NH+]1CCOCC1)c1ccc(Cl)c(Br)c1 ZINC000509680199 564309077 /nfs/dbraw/zinc/30/90/77/564309077.db2.gz FZIYHJAAGUHITL-UHFFFAOYSA-N 1 0 375.694 2.945 20 0 GFADRO [NH3+][C@@H]1CCc2ncc(NC(=O)[C@H]3COc4ccc(Br)cc43)cc2C1 ZINC000566100788 564309597 /nfs/dbraw/zinc/30/95/97/564309597.db2.gz SBNNRSYRQLDDOP-DOMZBBRYSA-N 1 0 388.265 2.775 20 0 GFADRO CO[C@H](C[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Br)C1CC1 ZINC000566121225 564310442 /nfs/dbraw/zinc/31/04/42/564310442.db2.gz ATHQWTSNSWHJFY-IUODEOHRSA-N 1 0 378.694 2.857 20 0 GFADRO Cn1cc(C[NH2+]C[C@H](O)COCc2ccccc2Cl)c(C(F)(F)F)n1 ZINC000566114307 564310916 /nfs/dbraw/zinc/31/09/16/564310916.db2.gz FMSYBYPJYASHLJ-ZDUSSCGKSA-N 1 0 377.794 2.760 20 0 GFADRO C[C@H](C[NH+]1CCCCC1)NS(=O)(=O)c1cccc(Br)c1F ZINC000542485010 564315558 /nfs/dbraw/zinc/31/55/58/564315558.db2.gz DYVTWCUEMNURGR-LLVKDONJSA-N 1 0 379.295 2.741 20 0 GFADRO C[C@H]1c2c(Cl)cc(Cl)cc2CCN1C(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000566190340 564315715 /nfs/dbraw/zinc/31/57/15/564315715.db2.gz QUASPUYFMQKALQ-NHYWBVRUSA-N 1 0 384.307 2.697 20 0 GFADRO C[C@H](C(N)=O)[N@H+](CCOc1cccc(Br)c1)C[C@@H]1CCCS1 ZINC000475689186 564315986 /nfs/dbraw/zinc/31/59/86/564315986.db2.gz QCCQWNYFWYLATL-DOMZBBRYSA-N 1 0 387.343 2.899 20 0 GFADRO O=C(c1ccccc1I)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000566198562 564316432 /nfs/dbraw/zinc/31/64/32/564316432.db2.gz DLZJECSWYQFDFC-OLZOCXBDSA-N 1 0 384.261 2.753 20 0 GFADRO COc1cc(OC)c(NC(=O)COC2CCC([NH3+])CC2)cc1Br ZINC000566196431 564316604 /nfs/dbraw/zinc/31/66/04/564316604.db2.gz KXPDSCLRNPFCPN-UHFFFAOYSA-N 1 0 387.274 2.691 20 0 GFADRO CC1(C)NC(=O)N(CC[N@@H+](Cc2cccc(Br)c2)CC2CC2)C1=O ZINC000475744967 564317402 /nfs/dbraw/zinc/31/74/02/564317402.db2.gz SZJBEHQFPKZVLC-UHFFFAOYSA-N 1 0 394.313 2.992 20 0 GFADRO C[NH+]1CCN(Cc2ccc(NC(=O)C[C@@H]3CCOC3)cc2Br)CC1 ZINC000475746590 564317665 /nfs/dbraw/zinc/31/76/65/564317665.db2.gz KOVASRSUKFTXTI-AWEZNQCLSA-N 1 0 396.329 2.562 20 0 GFADRO C[C@@H]1C[C@H](C(=O)Nc2ccc(CN3CC[NH+](C)CC3)c(Br)c2)CO1 ZINC000475755108 564318190 /nfs/dbraw/zinc/31/81/90/564318190.db2.gz GKPXYDXYAAXZOZ-HIFRSBDPSA-N 1 0 396.329 2.560 20 0 GFADRO Cc1ccc(S(=O)(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1Br ZINC000566224427 564318198 /nfs/dbraw/zinc/31/81/98/564318198.db2.gz ZTMYZQWKJZNOBR-UONOGXRCSA-N 1 0 387.343 2.768 20 0 GFADRO C[C@@H]1C[C@@H](C[NH3+])CN1S(=O)(=O)c1ccc2ccccc2c1Br ZINC000566224904 564318211 /nfs/dbraw/zinc/31/82/11/564318211.db2.gz JYVKFQUQXUAVEO-NEPJUHHUSA-N 1 0 383.311 2.960 20 0 GFADRO CO[C@H]1C[C@H]([NH2+]CC(=O)N(C)Cc2cc(Br)cs2)C1(C)C ZINC000451495317 564319279 /nfs/dbraw/zinc/31/92/79/564319279.db2.gz LMIRYJJNDASKLH-STQMWFEESA-N 1 0 375.332 2.872 20 0 GFADRO Cc1nc(CSc2ccccc2C(=O)N2CCC(O)(C[NH3+])CC2)cs1 ZINC000566295865 564322081 /nfs/dbraw/zinc/32/20/81/564322081.db2.gz VNZDSIYCRWPBCF-UHFFFAOYSA-N 1 0 377.535 2.670 20 0 GFADRO CS(=O)(=O)N1CC[C@H](C[NH+]2CCC(F)(Cc3ccc(Cl)cc3)CC2)C1 ZINC000451526568 564322403 /nfs/dbraw/zinc/32/24/03/564322403.db2.gz HXPABOUWRPLPOB-MRXNPFEDSA-N 1 0 388.936 2.968 20 0 GFADRO COC(=O)C[C@H]1CSCC[N@@H+]1C[C@@H](O)COc1cc(Cl)ccc1Cl ZINC000475883142 564323939 /nfs/dbraw/zinc/32/39/39/564323939.db2.gz QKQGDOHUYHLGFY-QWHCGFSZSA-N 1 0 394.320 2.714 20 0 GFADRO C[C@@H](Sc1nnnn1CC[NH+](C)C)C(=O)Nc1cc(Cl)ccc1Cl ZINC000510068987 564324449 /nfs/dbraw/zinc/32/44/49/564324449.db2.gz AGLWWHDURHZVAR-SECBINFHSA-N 1 0 389.312 2.661 20 0 GFADRO CS[C@@H]1CN(C(=O)CSc2nc3ccccc3o2)C[C@@H]1[NH+]1CCCC1 ZINC000542772717 564325624 /nfs/dbraw/zinc/32/56/24/564325624.db2.gz BQZQKHLGZZVQMA-GOEBONIOSA-N 1 0 377.535 2.958 20 0 GFADRO CS[C@H]1CN(C(=O)COc2ccc(Br)cc2)C[C@H]1[NH+]1CCCC1 ZINC000542768639 564325960 /nfs/dbraw/zinc/32/59/60/564325960.db2.gz KDODGYOUIFACQW-CVEARBPZSA-N 1 0 399.354 2.866 20 0 GFADRO Cc1cc(Br)cn2cc(CNC(=O)NC[C@@H](C)[N@H+](C)C3CC3)nc12 ZINC000542767925 564326039 /nfs/dbraw/zinc/32/60/39/564326039.db2.gz GODZYAAJTNLEIQ-GFCCVEGCSA-N 1 0 394.317 2.687 20 0 GFADRO CS[C@@H]1CN(C(=O)COc2ccc(Br)cc2)C[C@H]1[NH+]1CCCC1 ZINC000542768641 564326057 /nfs/dbraw/zinc/32/60/57/564326057.db2.gz KDODGYOUIFACQW-HZPDHXFCSA-N 1 0 399.354 2.866 20 0 GFADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1cn(C)nc1-c1ccc(Cl)s1 ZINC000476018984 564326431 /nfs/dbraw/zinc/32/64/31/564326431.db2.gz GANBZWONKKSIJA-GFCCVEGCSA-N 1 0 382.917 2.643 20 0 GFADRO O=c1n2ccccc2nn1CCN1CC[C@H](c2cccc(Br)c2)C1 ZINC000451569440 564326788 /nfs/dbraw/zinc/32/67/88/564326788.db2.gz OBPVXRBKTFJKFU-HNNXBMFYSA-N 1 0 387.281 2.748 20 0 GFADRO CC1(C)NC(=O)N(CCC[N@@H+]2CC[C@H](c3cccc(Br)c3)C2)C1=O ZINC000451567120 564326826 /nfs/dbraw/zinc/32/68/26/564326826.db2.gz KUKCFGBJYFMLTL-AWEZNQCLSA-N 1 0 394.313 2.959 20 0 GFADRO COc1cc(C(F)(F)F)cc(S(=O)(=O)N2CC3CCC2(C[NH3+])CC3)c1 ZINC000566480210 564328644 /nfs/dbraw/zinc/32/86/44/564328644.db2.gz JHVOYCGBRILVAS-UHFFFAOYSA-N 1 0 378.416 2.606 20 0 GFADRO COc1ccc(Br)c(C[NH2+][C@@H]2CCC[C@@H](S(C)(=O)=O)C2)c1 ZINC000510285824 564329209 /nfs/dbraw/zinc/32/92/09/564329209.db2.gz FCZIMSVTEGQVRM-TZMCWYRMSA-N 1 0 376.316 2.903 20 0 GFADRO C[C@@H](CNC(=O)N[C@@H](CCO)c1ccccc1Br)C[NH+]1CCCC1 ZINC000542892816 564330466 /nfs/dbraw/zinc/33/04/66/564330466.db2.gz CCIIMGKRYJTRAP-YOEHRIQHSA-N 1 0 398.345 2.904 20 0 GFADRO NC(=O)[C@H]([NH2+][C@H]([C@@H](CO)C1CC1)C1CC1)c1ccc(Br)cc1F ZINC000451606493 564331010 /nfs/dbraw/zinc/33/10/10/564331010.db2.gz LOYWKFKXRAESCM-CWRNSKLLSA-N 1 0 385.277 2.501 20 0 GFADRO C[C@H](NC(=O)NCC1=CC[NH2+]CC1)c1cc2c(cc1Br)OCCO2 ZINC000566550602 564331533 /nfs/dbraw/zinc/33/15/33/564331533.db2.gz GCONYZXGLPHHNH-NSHDSACASA-N 1 0 396.285 2.500 20 0 GFADRO O=S(=O)(CCCN1CCOCC1)N(Cc1ccccc1Cl)CC1CC1 ZINC000510425662 564333043 /nfs/dbraw/zinc/33/30/43/564333043.db2.gz AKFRGXTVFZJUBM-UHFFFAOYSA-N 1 0 386.945 2.604 20 0 GFADRO O=C(N[C@H]1COc2cc(F)c(Br)cc21)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000566610247 564334427 /nfs/dbraw/zinc/33/44/27/564334427.db2.gz HRSWFBHIOUYOMJ-RWSFTLGLSA-N 1 0 398.276 2.663 20 0 GFADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)CCc1ccc(Br)cc1OC ZINC000542985300 564334697 /nfs/dbraw/zinc/33/46/97/564334697.db2.gz AESAFNGLCFCSMS-MRXNPFEDSA-N 1 0 399.329 2.617 20 0 GFADRO C[C@H]([NH2+]C[C@@]1(N2CCOCC2)CCSC1)c1cncc(Br)c1 ZINC000566630994 564335521 /nfs/dbraw/zinc/33/55/21/564335521.db2.gz IBBZOEKMSHLMLQ-BBRMVZONSA-N 1 0 386.359 2.703 20 0 GFADRO COc1cc(C[NH2+][C@H](C)C[C@H](C)O)cc(I)c1OC ZINC000543060503 564336289 /nfs/dbraw/zinc/33/62/89/564336289.db2.gz IYEWTYCWCJPASP-ZJUUUORDSA-N 1 0 379.238 2.557 20 0 GFADRO COC(=O)c1c(Cl)cccc1S(=O)(=O)N[C@H](C)C[NH+]1CCC(C)CC1 ZINC000566690343 564338256 /nfs/dbraw/zinc/33/82/56/564338256.db2.gz MXKANKLJYMBPEB-CYBMUJFWSA-N 1 0 388.917 2.525 20 0 GFADRO O=C1C[C@@H]([NH2+]C[C@@H](O)COCc2cccs2)CN1c1ccccc1Cl ZINC000566673534 564338463 /nfs/dbraw/zinc/33/84/63/564338463.db2.gz PPFDVKHEEDDOHV-ZIAGYGMSSA-N 1 0 380.897 2.674 20 0 GFADRO CN(C)C(=O)CCN1CCC([NH2+][C@H]2CCc3ccc(Br)cc32)CC1 ZINC000510693741 564344125 /nfs/dbraw/zinc/34/41/25/564344125.db2.gz CPCXMIPICRUAQK-SFHVURJKSA-N 1 0 394.357 2.969 20 0 GFADRO C[C@H]1CN(Cc2nc3cc(Br)ccc3o2)CC[N@@H+]1CC(C)(C)O ZINC000510761199 564345461 /nfs/dbraw/zinc/34/54/61/564345461.db2.gz FSNBWWNNCJPITA-LBPRGKRZSA-N 1 0 382.302 2.867 20 0 GFADRO CN(CC[NH+]1CCCC1)C(=O)NCc1cc(F)c(F)cc1Br ZINC000510743845 564345860 /nfs/dbraw/zinc/34/58/60/564345860.db2.gz XYMRHTHSZDQJRC-UHFFFAOYSA-N 1 0 376.245 2.965 20 0 GFADRO CS(=O)(=O)c1cccc(Cl)c1C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000476595270 564348039 /nfs/dbraw/zinc/34/80/39/564348039.db2.gz KJGJKGXJCYULRM-AWEZNQCLSA-N 1 0 384.929 2.738 20 0 GFADRO COC(=O)c1ccc(S(=O)(=O)N[C@H](C)C[NH+]2CCCCCC2)cc1Cl ZINC000476605140 564348052 /nfs/dbraw/zinc/34/80/52/564348052.db2.gz NWWJENXSDJLFBC-CYBMUJFWSA-N 1 0 388.917 2.669 20 0 GFADRO COCCN1CC[C@@H]([NH2+]CCCOc2ncc(C(F)(F)F)cc2Cl)C1 ZINC000543415505 564350475 /nfs/dbraw/zinc/35/04/75/564350475.db2.gz ZYUSQOTUWGGQPF-CYBMUJFWSA-N 1 0 381.826 2.833 20 0 GFADRO Cc1nccn1CCC[NH2+][C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000510990645 564353051 /nfs/dbraw/zinc/35/30/51/564353051.db2.gz DCQQNKRVAJUOTD-HNNXBMFYSA-N 1 0 398.326 2.852 20 0 GFADRO O=C1NC2(CCCC2)C(=O)N1CC[NH2+][C@H]1CCc2ccc(Br)cc21 ZINC000511000029 564353159 /nfs/dbraw/zinc/35/31/59/564353159.db2.gz PZNLDTGZFOJQRN-HNNXBMFYSA-N 1 0 392.297 2.891 20 0 GFADRO COc1c[nH+]ccc1N1CCN(C(=O)c2cccc(F)c2Br)CC1 ZINC000511018086 564353786 /nfs/dbraw/zinc/35/37/86/564353786.db2.gz QQOVNQQNBJDDMJ-UHFFFAOYSA-N 1 0 394.244 2.954 20 0 GFADRO Cc1cc(I)ccc1NC(=O)C[NH2+][C@@H]1COCC1(C)C ZINC000451810128 564354152 /nfs/dbraw/zinc/35/41/52/564354152.db2.gz OCXLNLLOUODZOF-CYBMUJFWSA-N 1 0 388.249 2.553 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)C(=O)NCC1CC[NH+](CC)CC1 ZINC000567044151 564354392 /nfs/dbraw/zinc/35/43/92/564354392.db2.gz NJXFJXUSCUVCLM-UHFFFAOYSA-N 1 0 396.329 2.798 20 0 GFADRO Cc1nccc(NC(=O)N2CCC([C@H]3[NH2+]CC3(C)C)CC2)c1Br ZINC000567029530 564354584 /nfs/dbraw/zinc/35/45/84/564354584.db2.gz VHVZLOHKZQJUKM-OAHLLOKOSA-N 1 0 381.318 2.816 20 0 GFADRO C[C@@H]1CN(C2CC2)C[C@H]1[NH2+]CCOc1ccc(I)cc1 ZINC000511042070 564354992 /nfs/dbraw/zinc/35/49/92/564354992.db2.gz AQIOMVIKKZHMRY-MLGOLLRUSA-N 1 0 386.277 2.742 20 0 GFADRO CN(CCC[NH+]1CCCC1)S(=O)(=O)c1cc(F)ccc1Br ZINC000543619814 564356348 /nfs/dbraw/zinc/35/63/48/564356348.db2.gz IYWCYOZPPNFIJK-UHFFFAOYSA-N 1 0 379.295 2.695 20 0 GFADRO CC[C@H](C)[NH+]1CCN([C@@H]2CCN(c3cccc(Br)c3)C2=O)CC1 ZINC000451831812 564357050 /nfs/dbraw/zinc/35/70/50/564357050.db2.gz BCAQUEXRAXHDHF-WMLDXEAASA-N 1 0 380.330 2.971 20 0 GFADRO CN(C[C@@H]1CCCN(Cc2ccc(F)cc2Br)C1)S(C)(=O)=O ZINC000511137440 564359821 /nfs/dbraw/zinc/35/98/21/564359821.db2.gz MMPJZIFBEJPDKM-LBPRGKRZSA-N 1 0 393.322 2.692 20 0 GFADRO COC(=O)c1ccc(S(=O)(=O)NC(C)(C)CCC[NH+](C)C)cc1Cl ZINC000451890855 564362635 /nfs/dbraw/zinc/36/26/35/564362635.db2.gz NOUYLDLXOFIVOJ-UHFFFAOYSA-N 1 0 376.906 2.525 20 0 GFADRO CC[N@H+](CCNC(=O)N[C@@H](CCO)c1ccccc1Br)C1CC1 ZINC000543823232 564364883 /nfs/dbraw/zinc/36/48/83/564364883.db2.gz BFCYVNVDMMZXPI-INIZCTEOSA-N 1 0 384.318 2.656 20 0 GFADRO CCOc1ccccc1Nc1nnc(SC[C@@H](O)C[N@H+](C)C(C)C)s1 ZINC000567292176 564365296 /nfs/dbraw/zinc/36/52/96/564365296.db2.gz ICXCNCKFFLNXGM-ZDUSSCGKSA-N 1 0 382.555 3.474 20 0 GFADRO CS[C@H]1CN(S(=O)(=O)c2ccc(Cl)cc2F)C[C@H]1[NH+]1CCCC1 ZINC000477126510 564365512 /nfs/dbraw/zinc/36/55/12/564365512.db2.gz KQCLENDWASFYFS-KGLIPLIRSA-N 1 0 378.922 2.679 20 0 GFADRO CS[C@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)C[C@@H]1[NH+]1CCCC1 ZINC000477136652 564366494 /nfs/dbraw/zinc/36/64/94/564366494.db2.gz CYZWWLXVCVAYQX-GJZGRUSLSA-N 1 0 394.484 2.906 20 0 GFADRO COCCC[NH+]1CCC(NC(=O)Nc2nccc(Br)c2C)CC1 ZINC000567335648 564367093 /nfs/dbraw/zinc/36/70/93/564367093.db2.gz KXSKLEZVRCHIFV-UHFFFAOYSA-N 1 0 385.306 2.775 20 0 GFADRO CS[C@@H]1CN(S(=O)(=O)c2ccc3c(c2)CCCC3)C[C@@H]1[NH+]1CCCC1 ZINC000477142693 564367053 /nfs/dbraw/zinc/36/70/53/564367053.db2.gz VKDQMUVYPCLUEG-RBUKOAKNSA-N 1 0 380.579 2.766 20 0 GFADRO C[C@@H]1C[C@@H](C)C[NH+](CCCNS(=O)(=O)c2ccc(C(F)(F)F)nc2)C1 ZINC000543897589 564367580 /nfs/dbraw/zinc/36/75/80/564367580.db2.gz NPBNCRBRGPSMEK-CHWSQXEVSA-N 1 0 379.448 2.747 20 0 GFADRO COc1cc(C)c(Br)cc1C(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1 ZINC000511380038 564370053 /nfs/dbraw/zinc/37/00/53/564370053.db2.gz GTRWUVVGVJWEDI-AWEZNQCLSA-N 1 0 399.329 2.949 20 0 GFADRO OC[C@@H]([NH2+]Cc1coc(-c2ccc(Br)cc2)n1)C1CCOCC1 ZINC000567420186 564370987 /nfs/dbraw/zinc/37/09/87/564370987.db2.gz FUGNQHHSHVCTAY-MRXNPFEDSA-N 1 0 381.270 2.981 20 0 GFADRO Cc1c(Br)scc1C(=O)NC[C@H](O)C[NH+]1CCC(C)CC1 ZINC000477350024 564374201 /nfs/dbraw/zinc/37/42/01/564374201.db2.gz JSUWYEWDPFXYBP-LBPRGKRZSA-N 1 0 375.332 2.642 20 0 GFADRO COCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](Cc2cc(O)ccc2Br)C1 ZINC000511507212 564374755 /nfs/dbraw/zinc/37/47/55/564374755.db2.gz KLMZRBOCMRVNLG-OLZOCXBDSA-N 1 0 385.302 2.518 20 0 GFADRO CS(=O)(=O)NCC[N@H+](Cc1ccc(Br)c2cccnc12)C1CC1 ZINC000567527899 564375208 /nfs/dbraw/zinc/37/52/08/564375208.db2.gz AVKJPIXDSANSNC-UHFFFAOYSA-N 1 0 398.326 2.511 20 0 GFADRO C[C@@](CO)([NH2+]CC(=O)N1CCc2ccccc21)c1ccc(Br)cc1 ZINC000511548433 564375757 /nfs/dbraw/zinc/37/57/57/564375757.db2.gz YQKAAXWIOWACOX-IBGZPJMESA-N 1 0 389.293 2.836 20 0 GFADRO CC[N@@H+]1CCN(C[C@@H](O)COc2ccc(Cl)cc2Br)[C@@H](C)C1 ZINC000511584698 564376427 /nfs/dbraw/zinc/37/64/27/564376427.db2.gz IXINHSJWWJOURQ-GXTWGEPZSA-N 1 0 391.737 2.868 20 0 GFADRO O=S1(=O)CCCC[C@H]1C[NH2+]Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000544179497 564378346 /nfs/dbraw/zinc/37/83/46/564378346.db2.gz GNTGMQXQRCNIJO-INIZCTEOSA-N 1 0 398.326 2.692 20 0 GFADRO Cc1ccc(C[C@H](CO)[NH2+][C@H](C)Cn2cc(Br)ccc2=O)cc1 ZINC000567633063 564380458 /nfs/dbraw/zinc/38/04/58/564380458.db2.gz MTMNBYBWFVPSBS-RHSMWYFYSA-N 1 0 379.298 2.501 20 0 GFADRO O=C(NCCC[C@H]1CCC[NH2+]1)c1ccc(I)c(F)c1 ZINC000567671191 564382460 /nfs/dbraw/zinc/38/24/60/564382460.db2.gz HLUPAVKCHGOCPC-LLVKDONJSA-N 1 0 376.213 2.692 20 0 GFADRO CS(=O)(=O)CC1(C[NH2+]C[C@@H](O)COc2c(Cl)cccc2Cl)CCC1 ZINC000567694558 564382902 /nfs/dbraw/zinc/38/29/02/564382902.db2.gz WMQNCGQFSSAROZ-GFCCVEGCSA-N 1 0 396.336 2.538 20 0 GFADRO CC(C)(CNS(=O)(=O)c1cccc(Br)c1F)C[NH+]1CCCC1 ZINC000544370067 564384242 /nfs/dbraw/zinc/38/42/42/564384242.db2.gz AYQLTSOLPDNLNF-UHFFFAOYSA-N 1 0 393.322 2.989 20 0 GFADRO CS(=O)(=O)c1ccc(C[NH2+]C[C@@H](O)CC(F)(F)F)cc1C(F)(F)F ZINC000567700013 564384518 /nfs/dbraw/zinc/38/45/18/564384518.db2.gz CFOPIGBQPFGIRR-VIFPVBQESA-N 1 0 379.322 2.512 20 0 GFADRO CCCCN(C(=O)C[NH2+][C@H](c1cccs1)C1CC1)[C@H]1CCS(=O)(=O)C1 ZINC000544400789 564385006 /nfs/dbraw/zinc/38/50/06/564385006.db2.gz VZFPMLRJLWCBNJ-YJBOKZPZSA-N 1 0 384.567 2.605 20 0 GFADRO CC(C)N(CC(F)(F)F)C(=O)C[N@H+](C)C1CCN(CC(F)(F)F)CC1 ZINC000452032108 564384990 /nfs/dbraw/zinc/38/49/90/564384990.db2.gz NECRKURQPDVWIV-UHFFFAOYSA-N 1 0 377.373 2.744 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)Nc3cc(Cl)c(Cl)c(Cl)c3)C[C@@H]21 ZINC000567742135 564386367 /nfs/dbraw/zinc/38/63/67/564386367.db2.gz SOKPWTJASXKUEX-PELKAZGASA-N 1 0 376.671 2.748 20 0 GFADRO C[C@@H]([NH2+]CCCN1CCOCC1)c1nc(-c2ccc(Br)cc2)no1 ZINC000544508812 564387917 /nfs/dbraw/zinc/38/79/17/564387917.db2.gz DEYNDCJIGLFEEA-CYBMUJFWSA-N 1 0 395.301 2.872 20 0 GFADRO Cn1nnc2cc(C[NH2+]CCC(=O)Nc3ccc(Br)cc3)ccc21 ZINC000544597459 564389764 /nfs/dbraw/zinc/38/97/64/564389764.db2.gz ILNHPMOFERAXST-UHFFFAOYSA-N 1 0 388.269 2.849 20 0 GFADRO COc1cnccc1[C@@H](C)NC(=O)[C@@](C)([NH3+])c1ccc(Br)cc1 ZINC000567824723 564390727 /nfs/dbraw/zinc/39/07/27/564390727.db2.gz BMAOHCAQBBHYLR-DIFFPNOSSA-N 1 0 378.270 2.904 20 0 GFADRO CC(C)[N@@H+]1CC[C@@H](N(C)S(=O)(=O)N(C)Cc2c(F)cccc2Cl)C1 ZINC000452097977 564391625 /nfs/dbraw/zinc/39/16/25/564391625.db2.gz SAZXFKSXMWJEAY-CYBMUJFWSA-N 1 0 377.913 2.570 20 0 GFADRO Cc1cc(C(=O)N[C@@H](CC[NH3+])C(F)F)nn1-c1ccc(Br)cc1 ZINC000567846911 564392061 /nfs/dbraw/zinc/39/20/61/564392061.db2.gz WGQSNTWEHWPCIY-LBPRGKRZSA-N 1 0 387.228 2.656 20 0 GFADRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NCc1ncc(I)s1 ZINC000512117529 564392236 /nfs/dbraw/zinc/39/22/36/564392236.db2.gz WYLOTXMHZQPUDJ-GHMZBOCLSA-N 1 0 379.311 2.958 20 0 GFADRO Cc1cc([C@@H](C)[NH2+][C@@H]2CCCN(S(C)(=O)=O)C2)sc1Br ZINC000512117491 564392746 /nfs/dbraw/zinc/39/27/46/564392746.db2.gz WLMVUSBUPJDLBB-GHMZBOCLSA-N 1 0 381.361 2.894 20 0 GFADRO C[C@@H](NC(=O)C[N@@H+]1CC(C)(C)[C@@H]2COC[C@@H]21)c1ccc(Br)cc1 ZINC000452103373 564393113 /nfs/dbraw/zinc/39/31/13/564393113.db2.gz IBRBMRXSEQYULO-WQVCFCJDSA-N 1 0 381.314 2.983 20 0 GFADRO CS[C@@H]1CN(C(=O)[C@@H]2COc3ccc(Cl)cc3C2)C[C@H]1[NH+]1CCCC1 ZINC000544687465 564394317 /nfs/dbraw/zinc/39/43/17/564394317.db2.gz XNAKUKRDGMGJLE-YXJHDRRASA-N 1 0 380.941 2.929 20 0 GFADRO C[NH+](C)CCOc1cc(NC(=O)Cc2ccccc2Br)ccn1 ZINC000478042180 564394412 /nfs/dbraw/zinc/39/44/12/564394412.db2.gz RTAWCHQDVMJCQN-UHFFFAOYSA-N 1 0 378.270 2.966 20 0 GFADRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C[C@@H](O)COc1ccc(Br)cc1 ZINC000512215448 564394584 /nfs/dbraw/zinc/39/45/84/564394584.db2.gz VSOQPFPSXAHYBZ-HYVNUMGLSA-N 1 0 383.330 2.747 20 0 GFADRO C[N@H+](C[C@@H](O)COCc1cccs1)C1CCN(CCC(F)(F)F)CC1 ZINC000452121968 564395202 /nfs/dbraw/zinc/39/52/02/564395202.db2.gz UCBSDLFQZAAOKK-OAHLLOKOSA-N 1 0 380.476 2.974 20 0 GFADRO CN(Cc1cc(Br)cs1)C(=O)C[N@@H+]1CC[C@H](CCCO)C1 ZINC000452117523 564395408 /nfs/dbraw/zinc/39/54/08/564395408.db2.gz DFRIPWZCVXAFJQ-LBPRGKRZSA-N 1 0 375.332 2.563 20 0 GFADRO NC(=O)C[C@H]1CCCC[N@@H+]1Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000512231087 564395602 /nfs/dbraw/zinc/39/56/02/564395602.db2.gz YBSZRPHHEMDGEU-MRXNPFEDSA-N 1 0 377.286 2.865 20 0 GFADRO CCOc1c(Br)cc(C[NH2+]C[C@@H]2CC(=O)N(C3CC3)C2)cc1OC ZINC000567904620 564396062 /nfs/dbraw/zinc/39/60/62/564396062.db2.gz GHTZJZXGUYGDKO-ZDUSSCGKSA-N 1 0 397.313 2.957 20 0 GFADRO C[C@@H]1CC[N@H+](CCNC(=O)c2ncc(Br)cc2Br)C1 ZINC000544744883 564397161 /nfs/dbraw/zinc/39/71/61/564397161.db2.gz ZPNWDLXRDNLPOH-SECBINFHSA-N 1 0 391.107 2.678 20 0 GFADRO C[C@H]1CN(C(=O)c2ccccc2I)CC[N@@H+](C2CC2)C1 ZINC000452171310 564397814 /nfs/dbraw/zinc/39/78/14/564397814.db2.gz QBIZNSYOAYIUDB-GFCCVEGCSA-N 1 0 384.261 2.848 20 0 GFADRO CN1C(=O)C[C@H](C(=O)NCC(C)(C)[NH+](C)C)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000478263066 564398216 /nfs/dbraw/zinc/39/82/16/564398216.db2.gz RXOKAXNNFWRDSA-LRDDRELGSA-N 1 0 386.323 2.969 20 0 GFADRO CN(C)[C@H](C(=O)Nc1nc2c(s1)C[C@@H]([NH3+])CC2)c1c(F)cccc1Cl ZINC000567979903 564398892 /nfs/dbraw/zinc/39/88/92/564398892.db2.gz BSMUTVGDPRUPQX-VFZGTOFNSA-N 1 0 382.892 2.993 20 0 GFADRO O=C(NC[C@H]1CCC[N@H+]1CCCO)c1cc2c(ccc(F)c2Br)[nH]1 ZINC000452343926 564406487 /nfs/dbraw/zinc/40/64/87/564406487.db2.gz MLJHXJMMXQTTFT-LLVKDONJSA-N 1 0 398.276 2.646 20 0 GFADRO COc1ccc(Br)c([C@H](CO)[N@H+](C)CCCc2cncn2C)c1 ZINC000568175271 564407340 /nfs/dbraw/zinc/40/73/40/564407340.db2.gz XUNCUMNHGMSQTP-KRWDZBQOSA-N 1 0 382.302 2.789 20 0 GFADRO CC(C)(C(=O)NC[C@H]1CCC[N@@H+]1CCCO)c1ccccc1Br ZINC000452357737 564408004 /nfs/dbraw/zinc/40/80/04/564408004.db2.gz FISORNYHEWFXOW-CQSZACIVSA-N 1 0 383.330 2.690 20 0 GFADRO O=C(NC[C@H]1CCC[N@H+]1CCCO)c1ccc(Cl)c(Br)c1 ZINC000452367816 564409239 /nfs/dbraw/zinc/40/92/39/564409239.db2.gz QGWFNWISLSOPPB-GFCCVEGCSA-N 1 0 375.694 2.679 20 0 GFADRO CC1=CC[N@H+](CCNC(=O)NCCOc2ccc(Br)cc2)CC1 ZINC000545152421 564409662 /nfs/dbraw/zinc/40/96/62/564409662.db2.gz DOWYRMLUGYIPSA-UHFFFAOYSA-N 1 0 382.302 2.779 20 0 GFADRO C[C@@H](Oc1cc(Cl)cc(Cl)c1)C(=O)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000452374909 564410220 /nfs/dbraw/zinc/41/02/20/564410220.db2.gz LMOPEEHBBCHUCD-DOMZBBRYSA-N 1 0 375.296 2.724 20 0 GFADRO O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000568268741 564412225 /nfs/dbraw/zinc/41/22/25/564412225.db2.gz HZOJSKCMGJDNRN-STQMWFEESA-N 1 0 378.416 2.595 20 0 GFADRO CC[N@@H+]1CCC[C@H](NC(=O)NCc2cc(Br)cc3c2OCC3)C1 ZINC000545193824 564412349 /nfs/dbraw/zinc/41/23/49/564412349.db2.gz FVNDBZSEPIXQTE-HNNXBMFYSA-N 1 0 382.302 2.668 20 0 GFADRO C[C@@H](Oc1ccc(Cl)c(Cl)c1)C(=O)NC[C@H]1CCCC[N@@H+]1CCO ZINC000452396180 564412615 /nfs/dbraw/zinc/41/26/15/564412615.db2.gz XYDCUJLVDBFCFY-CHWSQXEVSA-N 1 0 375.296 2.724 20 0 GFADRO O[C@@H](COc1cc(F)cc(Br)c1)C[N@@H+]1CC[C@H](COC(F)F)C1 ZINC000512829116 564413048 /nfs/dbraw/zinc/41/30/48/564413048.db2.gz SUGWKPITKAWQLR-GXFFZTMASA-N 1 0 398.219 2.889 20 0 GFADRO Cc1ccc(C[NH2+]C[C@H]2CCCC[C@@H]2NS(C)(=O)=O)c(Br)c1 ZINC000512850833 564413659 /nfs/dbraw/zinc/41/36/59/564413659.db2.gz LFLJCJKUFTWMTG-ZBFHGGJFSA-N 1 0 389.359 2.955 20 0 GFADRO CCc1ncc(S(=O)(=O)NC[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)s1 ZINC000478759396 564413857 /nfs/dbraw/zinc/41/38/57/564413857.db2.gz XOFKZXXHDFXJAV-INIZCTEOSA-N 1 0 379.551 2.894 20 0 GFADRO CN1C(=O)C[C@@H](C(=O)NCC[NH+]2CCCC2)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000478736850 564414047 /nfs/dbraw/zinc/41/40/47/564414047.db2.gz DCBDBGAPXGIENW-DYVFJYSZSA-N 1 0 384.307 2.725 20 0 GFADRO O=C(NCc1cc2cc(Br)ccc2[nH]1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000545227196 564414392 /nfs/dbraw/zinc/41/43/92/564414392.db2.gz QNGVNDVZBYNERG-CYBMUJFWSA-N 1 0 377.286 2.966 20 0 GFADRO CO[C@H]1CCN(C(=O)c2ccn(-c3ccc(Cl)cc3Cl)n2)[C@H](C[NH3+])C1 ZINC000568383213 564416614 /nfs/dbraw/zinc/41/66/14/564416614.db2.gz QKXYNHCSRQCMMU-STQMWFEESA-N 1 0 383.279 2.757 20 0 GFADRO CCOc1cc(C[NH2+]C[C@H]2CCCCN2S(C)(=O)=O)cc(Cl)c1OC ZINC000512972956 564416724 /nfs/dbraw/zinc/41/67/24/564416724.db2.gz XVBFEUYOJWPDHZ-CQSZACIVSA-N 1 0 390.933 2.651 20 0 GFADRO CS(=O)(=O)N1CCCC[C@@H]1C[NH2+]Cc1c(Cl)cccc1N1CCCC1 ZINC000512995330 564417109 /nfs/dbraw/zinc/41/71/09/564417109.db2.gz AHEKEVXOIIQVDU-OAHLLOKOSA-N 1 0 385.961 2.844 20 0 GFADRO COc1ccc(C[NH2+]C[C@H](N2CCOCC2)C(F)(F)F)c(Br)c1 ZINC000513028043 564417811 /nfs/dbraw/zinc/41/78/11/564417811.db2.gz TYOFGSCDNYDCCQ-AWEZNQCLSA-N 1 0 397.235 2.810 20 0 GFADRO COc1ccc(C[NH2+]C[C@@H](N2CCOCC2)C(F)(F)F)cc1Br ZINC000513027762 564418191 /nfs/dbraw/zinc/41/81/91/564418191.db2.gz OINLGSZLFZGSBZ-CQSZACIVSA-N 1 0 397.235 2.810 20 0 GFADRO C[NH+](C)Cc1ccc(CNS(=O)(=O)c2ccc(Br)o2)cc1F ZINC000545369128 564419616 /nfs/dbraw/zinc/41/96/16/564419616.db2.gz YVJKSIRGRFLZIC-UHFFFAOYSA-N 1 0 391.262 2.721 20 0 GFADRO CCc1nnc(NC(=O)[C@H](C)[C@H](C)[NH2+]Cc2ccc([S@@](C)=O)cc2)s1 ZINC000513096503 564419726 /nfs/dbraw/zinc/41/97/26/564419726.db2.gz VGFIOCKLLFUKGD-PUXAFBORSA-N 1 0 380.539 2.591 20 0 GFADRO C[C@@H](NS(=O)(=O)c1ccc(Br)o1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000545369363 564420422 /nfs/dbraw/zinc/42/04/22/564420422.db2.gz CCBOTAPTMZCZBD-VXGBXAGGSA-N 1 0 391.331 2.973 20 0 GFADRO Cc1ccc(Br)c(S(=O)(=O)NCC[NH2+]Cc2cnccc2C)c1 ZINC000513112237 564421233 /nfs/dbraw/zinc/42/12/33/564421233.db2.gz VXTYRJBYJVQTDD-UHFFFAOYSA-N 1 0 398.326 2.529 20 0 GFADRO O[C@H](C[NH2+][C@H]1CCN(c2ccc(Cl)cc2Cl)C1)COC1CCOCC1 ZINC000568501899 564421348 /nfs/dbraw/zinc/42/13/48/564421348.db2.gz HSVKVNVPGXMQHM-LSDHHAIUSA-N 1 0 389.323 2.718 20 0 GFADRO O[C@@H](C[NH2+]CCOc1ccc(Br)cc1)COc1ccccc1F ZINC000568501598 564421434 /nfs/dbraw/zinc/42/14/34/564421434.db2.gz RUTZGLGHVBDAMT-AWEZNQCLSA-N 1 0 384.245 2.997 20 0 GFADRO O=C(CC[C@@H]1CC[NH2+]C1)NCc1nc(-c2cccc(Br)c2)no1 ZINC000568507485 564422016 /nfs/dbraw/zinc/42/20/16/564422016.db2.gz BFYDMEBAQULMRT-LLVKDONJSA-N 1 0 379.258 2.505 20 0 GFADRO C[C@@H]1CN(C(=O)[C@@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)C[C@H](C)[N@H+]1C ZINC000513184462 564423675 /nfs/dbraw/zinc/42/36/75/564423675.db2.gz OCLLBLGDKMJDDF-SCRDCRAPSA-N 1 0 384.307 2.897 20 0 GFADRO C[C@H]([NH2+]C[C@@H]1CCC[C@H](O)C1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000479064759 564424455 /nfs/dbraw/zinc/42/44/55/564424455.db2.gz QYCKLDBOXNAIKU-AXFHLTTASA-N 1 0 381.325 2.843 20 0 GFADRO CC[NH+]1CCN(CC(=O)N(Cc2cccc(Br)c2)C(C)C)CC1 ZINC000513279404 564425889 /nfs/dbraw/zinc/42/58/89/564425889.db2.gz NWZSURGEPLSFIL-UHFFFAOYSA-N 1 0 382.346 2.824 20 0 GFADRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(O)c(OC)cc2Br)[C@@]12CCCO2 ZINC000545550198 564427528 /nfs/dbraw/zinc/42/75/28/564427528.db2.gz VCFDCGRHUNMMQI-ZACQAIPSSA-N 1 0 386.286 2.980 20 0 GFADRO C[NH+](C)CCN(C(=O)c1ccc(-n2cc(Br)cn2)cc1)C1CC1 ZINC000568680051 564429823 /nfs/dbraw/zinc/42/98/23/564429823.db2.gz IZARIODBXOYRRS-UHFFFAOYSA-N 1 0 377.286 2.801 20 0 GFADRO CN(Cc1nc(-c2ccc(Br)cc2)c[nH]1)C1CC[NH+](CCO)CC1 ZINC000513523694 564431091 /nfs/dbraw/zinc/43/10/91/564431091.db2.gz BYEBIEILVPMXNV-UHFFFAOYSA-N 1 0 393.329 2.728 20 0 GFADRO C[C@H](NC(=O)C(=O)N(C)Cc1ccccc1Br)C(C)(C)C[NH+](C)C ZINC000513497649 564431301 /nfs/dbraw/zinc/43/13/01/564431301.db2.gz ADPJKWWHNPXXSL-ZDUSSCGKSA-N 1 0 398.345 2.500 20 0 GFADRO CC(=O)Nc1ccc(S(=O)(=O)NCC[N@H+]2[C@H](C)CCC[C@@H]2C)cc1Cl ZINC000479220239 564431828 /nfs/dbraw/zinc/43/18/28/564431828.db2.gz FHELORYHUFZOIH-BETUJISGSA-N 1 0 387.933 2.840 20 0 GFADRO C[NH+](C)C[C@](C)(O)CNC(=O)NCCc1c[nH]c2cc(Cl)cc(Cl)c12 ZINC000479226917 564432011 /nfs/dbraw/zinc/43/20/11/564432011.db2.gz RERQLKGFRTYUAB-QGZVFWFLSA-N 1 0 387.311 2.629 20 0 GFADRO Cc1cc(Br)cc(Cl)c1C(=O)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000452801479 564432204 /nfs/dbraw/zinc/43/22/04/564432204.db2.gz YQNHTRCATXDUJO-CYBMUJFWSA-N 1 0 389.721 2.988 20 0 GFADRO O=C(CCOc1ccc(Cl)cc1Cl)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000452794368 564432434 /nfs/dbraw/zinc/43/24/34/564432434.db2.gz GTSOINUWKFJSMR-CQSZACIVSA-N 1 0 375.296 2.725 20 0 GFADRO C[C@@H](Cc1ccc(Br)cc1)[NH2+]CCCN1CCC[C@H]1C(=O)N(C)C ZINC000479288626 564434496 /nfs/dbraw/zinc/43/44/96/564434496.db2.gz UJGFGBKHBFLPHQ-YJBOKZPZSA-N 1 0 396.373 2.912 20 0 GFADRO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1c1nnc(-c2ccc(Br)cc2)n1C ZINC000568815223 564435157 /nfs/dbraw/zinc/43/51/57/564435157.db2.gz NPTPJLAWWVQOEU-DOMZBBRYSA-N 1 0 376.302 2.918 20 0 GFADRO O=C1CNC(=O)N1CCC[NH2+]C1(c2ccc(Br)cc2)CCCC1 ZINC000513717835 564436395 /nfs/dbraw/zinc/43/63/95/564436395.db2.gz SDMQIYWQEYDOKI-UHFFFAOYSA-N 1 0 380.286 2.750 20 0 GFADRO CNC(=O)CN1CCC([NH2+][C@@H]2CCCc3cc(Br)ccc32)CC1 ZINC000479353934 564437593 /nfs/dbraw/zinc/43/75/93/564437593.db2.gz ZHFHYSQDRKRLFM-QGZVFWFLSA-N 1 0 380.330 2.627 20 0 GFADRO COc1cc(OC)c(NC(=O)c2cc([C@H]3CC[NH2+]C3)[nH]n2)cc1Br ZINC000568864046 564437964 /nfs/dbraw/zinc/43/79/64/564437964.db2.gz TZMBPLKZNFEOIX-VIFPVBQESA-N 1 0 395.257 2.519 20 0 GFADRO CC(C)[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)N1CC[N@H+](C)[C@H](C(C)C)C1 ZINC000513765990 564438577 /nfs/dbraw/zinc/43/85/77/564438577.db2.gz MPHVXOQJLQVXEA-XJKSGUPXSA-N 1 0 385.961 2.955 20 0 GFADRO CC(C)NS(=O)(=O)CC[NH2+][C@H]1CCCc2cc(Br)ccc21 ZINC000479419542 564439722 /nfs/dbraw/zinc/43/97/22/564439722.db2.gz PVBRFHBGNUPNQF-HNNXBMFYSA-N 1 0 375.332 2.744 20 0 GFADRO C[NH+](C)CC1(CNc2ccc(S(N)(=O)=O)cc2C(F)(F)F)CCCC1 ZINC000546051180 564440838 /nfs/dbraw/zinc/44/08/38/564440838.db2.gz ISVAHNCJYSVHAQ-UHFFFAOYSA-N 1 0 379.448 2.887 20 0 GFADRO C[C@H]([NH2+]CC1(S(C)(=O)=O)CC1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000479495895 564442800 /nfs/dbraw/zinc/44/28/00/564442800.db2.gz KYQUPKQHLQJTPP-AWEZNQCLSA-N 1 0 385.551 2.631 20 0 GFADRO COc1ccc(NC(=O)c2cnn([C@@H]3CCC[NH2+]C3)c2)cc1Br ZINC000568987919 564443472 /nfs/dbraw/zinc/44/34/72/564443472.db2.gz UZFQQWYFEAOOBW-CYBMUJFWSA-N 1 0 379.258 2.831 20 0 GFADRO CC(C)N(C)C[C@H](C)[NH2+]CCS(=O)(=O)c1cccc(Br)c1 ZINC000568993264 564444428 /nfs/dbraw/zinc/44/44/28/564444428.db2.gz IBYDZTKXVGKXOF-ZDUSSCGKSA-N 1 0 377.348 2.541 20 0 GFADRO C[C@@H]([NH2+][C@@H](C)CCS(C)(=O)=O)c1ccc(F)c(I)c1 ZINC000453156569 564448566 /nfs/dbraw/zinc/44/85/66/564448566.db2.gz ZQHYKRSSWFAMIN-VHSXEESVSA-N 1 0 399.269 2.904 20 0 GFADRO C[C@H]([NH2+]CCn1nc2ccccn2c1=O)c1ccc(Br)cc1F ZINC000569157709 564451762 /nfs/dbraw/zinc/45/17/62/564451762.db2.gz DAVCUACPZKMKBT-NSHDSACASA-N 1 0 379.233 2.748 20 0 GFADRO CNC(=O)C[C@H](C)[NH2+][C@H]1CCCOc2ccc(I)cc21 ZINC000453343881 564454109 /nfs/dbraw/zinc/45/41/09/564454109.db2.gz CXLATWYFZWAUPQ-GWCFXTLKSA-N 1 0 388.249 2.619 20 0 GFADRO COc1ccc(C[C@@H](CO)C[NH2+][C@@H](C)c2ccnn2C)cc1Br ZINC000453356083 564454612 /nfs/dbraw/zinc/45/46/12/564454612.db2.gz IIPKDCRLXFAIBK-GXTWGEPZSA-N 1 0 382.302 2.693 20 0 GFADRO C[C@H]([NH2+]CC(C)(C)C(C)(C)O)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000453355673 564455173 /nfs/dbraw/zinc/45/51/73/564455173.db2.gz MONMTULLLDWYHE-JTQLQIEISA-N 1 0 393.347 2.544 20 0 GFADRO COc1ccc(Br)cc1C[C@H](CO)C[NH2+][C@H]1CCn2ccnc21 ZINC000453392955 564455823 /nfs/dbraw/zinc/45/58/23/564455823.db2.gz ZCYPLMUAXDXCSY-WFASDCNBSA-N 1 0 380.286 2.540 20 0 GFADRO COc1ccc(Br)cc1C[C@H](CO)C[NH2+][C@H](C)c1cnccn1 ZINC000453393989 564456108 /nfs/dbraw/zinc/45/61/08/564456108.db2.gz ZUQZYUGZHQVHJX-OLZOCXBDSA-N 1 0 380.286 2.750 20 0 GFADRO COc1ccc(Br)cc1C[C@@H](CO)C[NH2+][C@H](C)c1cnccn1 ZINC000453393988 564456118 /nfs/dbraw/zinc/45/61/18/564456118.db2.gz ZUQZYUGZHQVHJX-CHWSQXEVSA-N 1 0 380.286 2.750 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)C1(c2cccc(Br)c2)CC(=O)C1)C1CC1 ZINC000569277576 564456371 /nfs/dbraw/zinc/45/63/71/564456371.db2.gz WZXRQBLESUWFJE-MRXNPFEDSA-N 1 0 379.298 2.506 20 0 GFADRO COc1ccc(C(=O)NCC[NH2+][C@H](C)c2ccc(Br)cn2)cc1 ZINC000569292078 564457620 /nfs/dbraw/zinc/45/76/20/564457620.db2.gz UYURFMWWMZJFAV-GFCCVEGCSA-N 1 0 378.270 2.933 20 0 GFADRO COc1ccc(S(=O)(=O)NCCN2CCc3sccc3C2)c(Cl)c1 ZINC000514812685 564458130 /nfs/dbraw/zinc/45/81/30/564458130.db2.gz PKZVZFQZTYXWAH-UHFFFAOYSA-N 1 0 386.926 2.747 20 0 GFADRO C[N@H+](CCNC(=O)c1cccnc1-n1cc(Br)cn1)C1CCCC1 ZINC000514823144 564459471 /nfs/dbraw/zinc/45/94/71/564459471.db2.gz UXYIDYPZCXKFRT-UHFFFAOYSA-N 1 0 392.301 2.634 20 0 GFADRO Cc1cc(Cl)cc(NC(=O)C(=O)NCC[N@@H+](C)C2CC2)c1Br ZINC000453647834 564461853 /nfs/dbraw/zinc/46/18/53/564461853.db2.gz RZNROTXETATCON-UHFFFAOYSA-N 1 0 388.693 2.560 20 0 GFADRO CN(C)CC[N@H+](C)CCCN(C)C(=O)[C@@H]1C[C@@H]1c1ccc(Br)cc1 ZINC000569407939 564461909 /nfs/dbraw/zinc/46/19/09/564461909.db2.gz VXOFTAYRIFXQJN-QZTJIDSGSA-N 1 0 396.373 2.895 20 0 GFADRO C[C@@H](CNC(=O)C(=O)Nc1cc(Cl)cc(Br)c1)[N@H+](C)C1CC1 ZINC000453646059 564462192 /nfs/dbraw/zinc/46/21/92/564462192.db2.gz BBQXDDFPLBEDOD-VIFPVBQESA-N 1 0 388.693 2.640 20 0 GFADRO CC(C)[C@@H](O)CC[NH2+][C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000480172342 564462384 /nfs/dbraw/zinc/46/23/84/564462384.db2.gz SRQWNDSFOVEYRX-KBPBESRZSA-N 1 0 376.316 2.664 20 0 GFADRO CC(C)[C@H](CCO)[NH2+][C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000480168341 564462522 /nfs/dbraw/zinc/46/25/22/564462522.db2.gz KOEHDTXLXANBKD-UONOGXRCSA-N 1 0 376.316 2.664 20 0 GFADRO CO[C@@H](C[NH2+][C@H]1CCS(=O)(=O)c2ccc(Br)cc21)C(C)C ZINC000480173519 564462553 /nfs/dbraw/zinc/46/25/53/564462553.db2.gz XDZGSGDFNQABKX-KBPBESRZSA-N 1 0 376.316 2.928 20 0 GFADRO O=C(NCc1nc2cc(Cl)ccc2s1)NC[C@@H]1CCCC[N@H+]1CCO ZINC000514998474 564465588 /nfs/dbraw/zinc/46/55/88/564465588.db2.gz KTBPOEJLJZSTOC-ZDUSSCGKSA-N 1 0 382.917 2.596 20 0 GFADRO CCC[N@H+](CC)CCNC(=O)C(=O)Nc1c(C)ccc(F)c1Br ZINC000453696611 564466320 /nfs/dbraw/zinc/46/63/20/564466320.db2.gz NIQRWYGGDVZWAF-UHFFFAOYSA-N 1 0 388.281 2.683 20 0 GFADRO O=S1(=O)CC[C@H](N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c2cc(Br)ccc21 ZINC000480262292 564467262 /nfs/dbraw/zinc/46/72/62/564467262.db2.gz JREAKWNAVDZVQR-FMKPAKJESA-N 1 0 399.354 2.884 20 0 GFADRO O[C@@H](C[NH2+]C[C@@H](O)C1CCCCC1)COc1cc(F)cc(Br)c1 ZINC000515061399 564467581 /nfs/dbraw/zinc/46/75/81/564467581.db2.gz VPDPIWTZINEMFC-DOTOQJQBSA-N 1 0 390.293 2.859 20 0 GFADRO C[NH+](C)CC1(CNS(=O)(=O)c2ccccc2OC(F)(F)F)CCCC1 ZINC000546782125 564469126 /nfs/dbraw/zinc/46/91/26/564469126.db2.gz PTQWLFLKLCIXPQ-UHFFFAOYSA-N 1 0 380.432 2.986 20 0 GFADRO COc1ccc(C[NH+](C)C)cc1NC(=O)c1cc[nH]c(=O)c1Br ZINC000515122156 564469411 /nfs/dbraw/zinc/46/94/11/564469411.db2.gz CYAAHLJVKSEINN-UHFFFAOYSA-N 1 0 380.242 2.872 20 0 GFADRO COc1c(Br)c(C)sc1C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000480376649 564470128 /nfs/dbraw/zinc/47/01/28/564470128.db2.gz LMUMZZUOHJQMFS-AWEZNQCLSA-N 1 0 393.372 2.995 20 0 GFADRO CC(C)(C)[N@@H+]1C[C@@H](C(=O)N2CCS[C@H]3COCC[C@@H]32)[C@H](C(F)(F)F)C1 ZINC000480373686 564470221 /nfs/dbraw/zinc/47/02/21/564470221.db2.gz FEGUDYLGUAPCFX-MQYQWHSLSA-N 1 0 380.476 2.628 20 0 GFADRO Cc1cc(Br)ccc1C(=O)N1CCC([NH2+]Cc2cc[nH]n2)CC1 ZINC000546872334 564471433 /nfs/dbraw/zinc/47/14/33/564471433.db2.gz NDLLHFDYIPBQMB-UHFFFAOYSA-N 1 0 377.286 2.875 20 0 GFADRO O=C(NCCOc1ccc2cc(Br)ccc2c1)N1CCC[NH2+]CC1 ZINC000515221269 564472483 /nfs/dbraw/zinc/47/24/83/564472483.db2.gz CSGBTSYPMXIQNY-UHFFFAOYSA-N 1 0 392.297 2.986 20 0 GFADRO CC(C)(CO)[C@H]([NH2+]CCS(=O)(=O)c1ccc(Br)cc1)C1CC1 ZINC000569691483 564474051 /nfs/dbraw/zinc/47/40/51/564474051.db2.gz DBKOBCXKRBOSRP-OAHLLOKOSA-N 1 0 390.343 2.610 20 0 GFADRO COC(=O)c1cn([C@@H]2CC[N@H+](CCOc3cc(Cl)ccc3Cl)C2)nn1 ZINC000546935494 564474626 /nfs/dbraw/zinc/47/46/26/564474626.db2.gz OCOCEIYAEAIBDA-GFCCVEGCSA-N 1 0 385.251 2.697 20 0 GFADRO Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[NH2+][C@@H]1CS(=O)(=O)C[C@@H]1C ZINC000515327257 564475901 /nfs/dbraw/zinc/47/59/01/564475901.db2.gz LCOZQNZIFJRIRW-KPZWWZAWSA-N 1 0 381.929 2.724 20 0 GFADRO CC(=O)N1CCN(CC[NH2+][C@H]2CCCOc3c(Cl)c(Cl)ccc32)CC1 ZINC000480627547 564479917 /nfs/dbraw/zinc/47/99/17/564479917.db2.gz TZYZJYBZISUKHV-INIZCTEOSA-N 1 0 386.323 2.961 20 0 GFADRO CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3cnc4ccc(Br)cn34)[C@@H]2C1 ZINC000569883548 564481871 /nfs/dbraw/zinc/48/18/71/564481871.db2.gz QVJVQZBORKSSKK-IAOVAPTHSA-N 1 0 391.313 2.833 20 0 GFADRO O=S(=O)(c1ccc(C[NH2+][C@H]2CCCC23CCCC3)s1)N1CCOCC1 ZINC000515622838 564483978 /nfs/dbraw/zinc/48/39/78/564483978.db2.gz JNYCZBXQJODJRC-INIZCTEOSA-N 1 0 384.567 2.972 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2[nH]c3ccccc3c2Br)CC1 ZINC000569936752 564484679 /nfs/dbraw/zinc/48/46/79/564484679.db2.gz CKCWZKAPFUDZRT-DYVFJYSZSA-N 1 0 392.297 2.899 20 0 GFADRO C[C@@H](CCc1ccc(Cl)s1)[NH2+]C[C@@H]1CCCCN1S(=O)(=O)N(C)C ZINC000570005722 564486612 /nfs/dbraw/zinc/48/66/12/564486612.db2.gz VWRQRWXLNZKYGN-KBPBESRZSA-N 1 0 394.006 2.973 20 0 GFADRO C[C@@H]1CN(C(=O)CNC(=O)c2ccc(Cl)c(Cl)c2)CC[N@@H+](C2CC2)C1 ZINC000570017563 564487684 /nfs/dbraw/zinc/48/76/84/564487684.db2.gz LDINXLPTTZWPBL-LBPRGKRZSA-N 1 0 384.307 2.666 20 0 GFADRO C[C@H](NC(=O)C[NH2+]C(C)(C)c1cnn(C)c1)c1ccc(Br)cc1 ZINC000547414298 564488126 /nfs/dbraw/zinc/48/81/26/564488126.db2.gz RBUYFZJZGCWZTC-LBPRGKRZSA-N 1 0 379.302 2.885 20 0 GFADRO C[C@H](CNC(=O)NCCOc1cccc(Br)c1)C[NH+]1CCCC1 ZINC000515865845 564489441 /nfs/dbraw/zinc/48/94/41/564489441.db2.gz GRSSLRWASAMKCN-CQSZACIVSA-N 1 0 384.318 2.859 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)CNC(=O)c2ccc(Cl)cc2Cl)[C@@H](C)C1 ZINC000547459882 564489718 /nfs/dbraw/zinc/48/97/18/564489718.db2.gz BEUCXSUUVVPPBK-BLLLJJGKSA-N 1 0 386.323 2.912 20 0 GFADRO COC[C@H]([NH2+][C@@H]1CCS(=O)(=O)c2ccc(Br)cc21)C(C)C ZINC000547503762 564491549 /nfs/dbraw/zinc/49/15/49/564491549.db2.gz PJPPBZHWOOAHJR-KGLIPLIRSA-N 1 0 376.316 2.928 20 0 GFADRO CC1(C)[C@H]([NH2+]C[C@H](O)COc2cc(F)cc(Br)c2)[C@@H]2CCO[C@H]21 ZINC000516148284 564495022 /nfs/dbraw/zinc/49/50/22/564495022.db2.gz DJECJGONHZPPPY-ARLBYUKCSA-N 1 0 388.277 2.731 20 0 GFADRO Cc1ccc(NC(=O)C(=O)NCC[N@@H+]2CCCC2(C)C)c(Br)c1 ZINC000454063730 564495179 /nfs/dbraw/zinc/49/51/79/564495179.db2.gz BVWYKPDIVSWHDY-UHFFFAOYSA-N 1 0 382.302 2.687 20 0 GFADRO CS[C@@H]1CN(S(=O)(=O)Cc2ccc(Cl)c(F)c2)C[C@@H]1[NH+]1CCCC1 ZINC000480915717 564495439 /nfs/dbraw/zinc/49/54/39/564495439.db2.gz ZYDIVIGPRXZGCG-JKSUJKDBSA-N 1 0 392.949 2.821 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C(C)C)C1 ZINC000454115428 564499049 /nfs/dbraw/zinc/49/90/49/564499049.db2.gz WYOJQDHDBODHJU-AWEZNQCLSA-N 1 0 382.302 2.637 20 0 GFADRO CC(=O)N1CCC[C@@H](C[NH2+]CCC(=O)Nc2ccc(Br)cc2)C1 ZINC000570390677 564503632 /nfs/dbraw/zinc/50/36/32/564503632.db2.gz KNMCMVPLABGXPO-AWEZNQCLSA-N 1 0 382.302 2.626 20 0 GFADRO C[NH+](C)[C@@]1(CNC(=O)C2(c3ccc(Cl)cc3)CCOCC2)CCSC1 ZINC000481190312 564505091 /nfs/dbraw/zinc/50/50/91/564505091.db2.gz LGQJSLZGAMGQCK-GOSISDBHSA-N 1 0 382.957 2.942 20 0 GFADRO CN(C)[C@H](CNC(=O)NC[C@]1([NH+](C)C)CCSC1)c1ccccc1Cl ZINC000481279935 564508992 /nfs/dbraw/zinc/50/89/92/564508992.db2.gz ZCNKKMDUFDJORI-SJLPKXTDSA-N 1 0 384.977 2.679 20 0 GFADRO Cn1cc([C@H]([NH2+]CCn2cc(Br)cn2)c2cccc(F)c2)cn1 ZINC000516670691 564509175 /nfs/dbraw/zinc/50/91/75/564509175.db2.gz LKRJVHFAKGLGAB-MRXNPFEDSA-N 1 0 378.249 2.897 20 0 GFADRO OC[C@H](C[NH2+]Cc1cn(-c2ccc(Cl)cc2Cl)nn1)c1cccnc1 ZINC000516679651 564509669 /nfs/dbraw/zinc/50/96/69/564509669.db2.gz XUHWYIFFXSMBDW-ZDUSSCGKSA-N 1 0 378.263 2.835 20 0 GFADRO Cc1ccc([C@@H](CNC(=O)NCc2nn(C)cc2Br)[NH+](C)C)cc1 ZINC000454466116 564511825 /nfs/dbraw/zinc/51/18/25/564511825.db2.gz XTTHFHUSAWBPBE-MRXNPFEDSA-N 1 0 394.317 2.593 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S(=O)(=O)CC[NH2+]CC1(C)CCCC1 ZINC000570563850 564511826 /nfs/dbraw/zinc/51/18/26/564511826.db2.gz CVCUMERKZBUOIV-UHFFFAOYSA-N 1 0 387.567 2.814 20 0 GFADRO COCC[NH2+]C1CCN(CC(=O)N(C)Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000570638258 564515431 /nfs/dbraw/zinc/51/54/31/564515431.db2.gz QVPUGRVXQCLBKH-UHFFFAOYSA-N 1 0 388.339 2.652 20 0 GFADRO COCC[NH+]1CCC(NC(=O)NC/C=C\c2ccc(Br)cc2)CC1 ZINC000454624416 564516397 /nfs/dbraw/zinc/51/63/97/564516397.db2.gz DMMZGBPDDLZBEB-IHWYPQMZSA-N 1 0 396.329 2.872 20 0 GFADRO Cc1cc(N2CC[C@@H]([NH2+]C[C@@H](O)CCOC(C)C)C2=O)ccc1Br ZINC000516922394 564516958 /nfs/dbraw/zinc/51/69/58/564516958.db2.gz ZMTOFGCVVJOCTQ-DOTOQJQBSA-N 1 0 399.329 2.628 20 0 GFADRO C[NH+](C)[C@@]1(CNC(=O)NCCc2ccc(Br)cc2)CCSC1 ZINC000481701917 564519609 /nfs/dbraw/zinc/51/96/09/564519609.db2.gz MSBZHQZHTWQHHB-MRXNPFEDSA-N 1 0 386.359 2.728 20 0 GFADRO C[C@@H](CNC(=O)c1ccc(I)cn1)[N@@H+]1CCCC[C@H]1C ZINC000454709495 564519636 /nfs/dbraw/zinc/51/96/36/564519636.db2.gz IAGUJGKNMOYVJG-NEPJUHHUSA-N 1 0 387.265 2.679 20 0 GFADRO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)NCc1nn(C)cc1Br ZINC000454774026 564521818 /nfs/dbraw/zinc/52/18/18/564521818.db2.gz WUOUZAZXGGXDCZ-CYBMUJFWSA-N 1 0 394.317 2.502 20 0 GFADRO O=C(CC[NH2+]Cc1cc(Br)cc2c1OCC2)Nc1cccnc1 ZINC000517130192 564525352 /nfs/dbraw/zinc/52/53/52/564525352.db2.gz QRBBUSJBGXEFFH-UHFFFAOYSA-N 1 0 376.254 2.897 20 0 GFADRO C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)NCC1(c2c(Cl)cccc2Cl)CCC1 ZINC000517145992 564525633 /nfs/dbraw/zinc/52/56/33/564525633.db2.gz UYERYGDTIRVOSZ-NEPJUHHUSA-N 1 0 386.323 2.773 20 0 GFADRO C[C@H](CNC(=O)c1ccc(I)cn1)C[NH+]1CCCCC1 ZINC000454893743 564526572 /nfs/dbraw/zinc/52/65/72/564526572.db2.gz RRQDDXUQBJRULU-GFCCVEGCSA-N 1 0 387.265 2.538 20 0 GFADRO COc1cc([C@@H](C)[NH2+]CCNS(=O)(=O)c2ccc(Cl)cc2F)ccn1 ZINC000570945949 564528599 /nfs/dbraw/zinc/52/85/99/564528599.db2.gz MYLVKOJJMHFIOO-LLVKDONJSA-N 1 0 387.864 2.512 20 0 GFADRO C[C@@H](CNS(=O)(=O)c1cc(Br)sc1Cl)[NH+]1CCCC1 ZINC000548041675 564529510 /nfs/dbraw/zinc/52/95/10/564529510.db2.gz HCZBSENCPRMGRQ-QMMMGPOBSA-N 1 0 387.752 2.927 20 0 GFADRO O=C(CNC(=O)c1sc2ccccc2c1Cl)NCC[C@@H]1CCC[NH2+]C1 ZINC000570961894 564529499 /nfs/dbraw/zinc/52/94/99/564529499.db2.gz DMJNSBUJCBZSLV-LBPRGKRZSA-N 1 0 379.913 2.790 20 0 GFADRO CNS(=O)(=O)CC[NH2+][C@@H]1CCC(C)(C)c2ccc(Br)cc21 ZINC000481992608 564531550 /nfs/dbraw/zinc/53/15/50/564531550.db2.gz PQNCYYKVVXXBGP-CQSZACIVSA-N 1 0 375.332 2.700 20 0 GFADRO O[C@H](COc1cc(F)cc(Br)c1)C[N@@H+]1CCCC[C@H]1C1(O)CC1 ZINC000571024335 564532638 /nfs/dbraw/zinc/53/26/38/564532638.db2.gz PCRHFYAAVFBFNB-HOCLYGCPSA-N 1 0 388.277 2.707 20 0 GFADRO C[C@H]([NH2+]C[C@H](O)COCC1CC1)c1ccccc1I ZINC000482112907 564535044 /nfs/dbraw/zinc/53/50/44/564535044.db2.gz HAISSGUBQCYACL-AAEUAGOBSA-N 1 0 375.250 2.729 20 0 GFADRO CC[N@@H+]1CCCC[C@H]1CNS(=O)(=O)c1cc(Br)ccc1F ZINC000517709421 564540490 /nfs/dbraw/zinc/54/04/90/564540490.db2.gz OMDYIFRHZXEIQR-LBPRGKRZSA-N 1 0 379.295 2.741 20 0 GFADRO Cc1nc(CNC(=O)N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)sc1Br ZINC000455236622 564544133 /nfs/dbraw/zinc/54/41/33/564544133.db2.gz SSKZKYMNMOCUIE-CMPLNLGQSA-N 1 0 387.347 2.982 20 0 GFADRO Cc1[nH]c(=O)sc1S(=O)(=O)NCC[NH2+]C[C@@H](C)CC1CCCCC1 ZINC000482508847 564544904 /nfs/dbraw/zinc/54/49/04/564544904.db2.gz JQQIARBLDAIVHE-LBPRGKRZSA-N 1 0 375.560 2.632 20 0 GFADRO O=C(NC[C@H]1CCC[N@H+]1CCCO)Nc1cc(Br)c(F)cc1F ZINC000455254685 564545536 /nfs/dbraw/zinc/54/55/36/564545536.db2.gz LZHFSTRIANPGKN-SNVBAGLBSA-N 1 0 392.244 2.696 20 0 GFADRO C[C@@H](NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1ccc(F)c(Br)c1 ZINC000482548062 564545962 /nfs/dbraw/zinc/54/59/62/564545962.db2.gz LXLYDVXFQHJWNH-TZMCWYRMSA-N 1 0 386.309 2.826 20 0 GFADRO Cn1c2cc(Br)ccc2nc1C[N@@H+]1CCCC[C@H]1[C@H]1CNC(=O)C1 ZINC000548275320 564546283 /nfs/dbraw/zinc/54/62/83/564546283.db2.gz LCMZTSSTDCQFDG-DOMZBBRYSA-N 1 0 391.313 2.826 20 0 GFADRO COc1ccc(S(=O)(=O)N2C[C@@H](SC)[C@H]([NH+]3CCCC3)C2)c(Cl)c1 ZINC000571358408 564547467 /nfs/dbraw/zinc/54/74/67/564547467.db2.gz ASRVLVNUEQERJP-HUUCEWRRSA-N 1 0 390.958 2.549 20 0 GFADRO C[C@@H]([NH3+])[C@H](C)NC(=O)c1cccc(Br)c1I ZINC000571402842 564549913 /nfs/dbraw/zinc/54/99/13/564549913.db2.gz GQEQBWCVFZFJHT-RQJHMYQMSA-N 1 0 397.054 2.519 20 0 GFADRO C[C@@H](CCCCO)[NH2+]C[C@H](O)COc1ccc(Cl)cc1Br ZINC000571403606 564549920 /nfs/dbraw/zinc/54/99/20/564549920.db2.gz MFHZQIBDYOSGMK-AAEUAGOBSA-N 1 0 380.710 2.983 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+][C@@H](c2cccnc2)C2CC2)cc1Br ZINC000518337593 564550403 /nfs/dbraw/zinc/55/04/03/564550403.db2.gz WVYHOBAHPUUVCT-MRXNPFEDSA-N 1 0 396.310 2.732 20 0 GFADRO C[C@@]1(C(=O)NCC2(c3ccc(Br)cc3)CCOCC2)CCC[NH2+]1 ZINC000571432385 564550846 /nfs/dbraw/zinc/55/08/46/564550846.db2.gz WTNLARFFRAXZED-KRWDZBQOSA-N 1 0 381.314 2.756 20 0 GFADRO O=S(=O)(c1cc(Cl)ccc1OC(F)F)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000518375270 564551254 /nfs/dbraw/zinc/55/12/54/564551254.db2.gz OYMNLSOGHVJJNH-HNNXBMFYSA-N 1 0 380.844 2.706 20 0 GFADRO CC[NH+](CC)C[C@H](C)NC(=O)N(C)[C@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000482923216 564553215 /nfs/dbraw/zinc/55/32/15/564553215.db2.gz WSJVLFDVTHVREF-WFASDCNBSA-N 1 0 387.933 2.540 20 0 GFADRO O=C(CC[NH2+][C@H](CO)Cc1ccc(O)cc1)Nc1ccc(Br)cc1 ZINC000518534502 564555845 /nfs/dbraw/zinc/55/58/45/564555845.db2.gz IKEZQWLIPKYUFJ-INIZCTEOSA-N 1 0 393.281 2.677 20 0 GFADRO C[C@H](NC(=O)N1CCC([NH+]2CCCCC2)CC1)c1ncc(Br)cn1 ZINC000571641220 564559864 /nfs/dbraw/zinc/55/98/64/564559864.db2.gz ASNGSRXMKMVOQE-ZDUSSCGKSA-N 1 0 396.333 2.960 20 0 GFADRO CN(C)C(=O)CC[NH+]1CCN(Cc2cc(Br)c(Cl)s2)CC1 ZINC000483285018 564563029 /nfs/dbraw/zinc/56/30/29/564563029.db2.gz XFUUZNFBVLSHAX-UHFFFAOYSA-N 1 0 394.766 2.760 20 0 GFADRO CC[NH+](CC)CCN(C(=O)c1cn(C)nn1)c1cccc(Br)c1 ZINC000571715937 564563549 /nfs/dbraw/zinc/56/35/49/564563549.db2.gz TVKNWMMVUHFYHQ-UHFFFAOYSA-N 1 0 380.290 2.566 20 0 GFADRO COc1ccc(Br)c(CNC(=O)[C@H]2[NH2+]CCc3ccccc32)c1 ZINC000518980763 564566205 /nfs/dbraw/zinc/56/62/05/564566205.db2.gz IQQPNVIQPYTYLV-KRWDZBQOSA-N 1 0 375.266 2.961 20 0 GFADRO CCCOC[C@@H](Cc1cccc(Br)c1)NC(=O)NCC[NH+]1CCC1 ZINC000483380325 564566306 /nfs/dbraw/zinc/56/63/06/564566306.db2.gz UKLMDOFAGXPBAP-QGZVFWFLSA-N 1 0 398.345 2.792 20 0 GFADRO CS[C@@H]1CN(C(=O)C(=O)c2ccc(Br)cc2)C[C@H]1[NH+]1CCCC1 ZINC000483394703 564566450 /nfs/dbraw/zinc/56/64/50/564566450.db2.gz LLZQUJJHXKUBPZ-HUUCEWRRSA-N 1 0 397.338 2.670 20 0 GFADRO CC(C)(O)C(C)(C)C[NH2+]CCS(=O)(=O)c1cccc(Br)c1 ZINC000571791116 564567067 /nfs/dbraw/zinc/56/70/67/564567067.db2.gz QRRYYLZTKDBCSE-UHFFFAOYSA-N 1 0 378.332 2.610 20 0 GFADRO Cc1ccc(F)c(Br)c1NC(=O)NCC1CC[NH+](CCO)CC1 ZINC000455758014 564569718 /nfs/dbraw/zinc/56/97/18/564569718.db2.gz USRAFBJTESBIIH-UHFFFAOYSA-N 1 0 388.281 2.722 20 0 GFADRO CC[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2cccc(Br)c2)CC[N@@H+]1C[C@H](C)O ZINC000455807909 564572100 /nfs/dbraw/zinc/57/21/00/564572100.db2.gz YLIWHCVXVRFBKJ-XDKFSHSGSA-N 1 0 395.341 2.856 20 0 GFADRO CC[NH+]1CCC(CNC(=O)N[C@@H](CO)c2cccc(Br)c2)CC1 ZINC000519205545 564572487 /nfs/dbraw/zinc/57/24/87/564572487.db2.gz VKZWTCKQHKUHKS-INIZCTEOSA-N 1 0 384.318 2.514 20 0 GFADRO O=C(CCNc1ncc(C(F)(F)F)cc1Cl)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000571926224 564572550 /nfs/dbraw/zinc/57/25/50/564572550.db2.gz MDHCCAMDPPWAGP-GXFFZTMASA-N 1 0 376.810 2.766 20 0 GFADRO O=S(=O)(c1cccc(Br)c1F)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000571920842 564572567 /nfs/dbraw/zinc/57/25/67/564572567.db2.gz LGLKHGLQBHFTHQ-GFCCVEGCSA-N 1 0 391.306 2.598 20 0 GFADRO C[N@@H+]1CCC[C@@H](CNC(=O)N[C@H]2CCOc3c(Br)cccc32)C1 ZINC000548761103 564572910 /nfs/dbraw/zinc/57/29/10/564572910.db2.gz RNKXDHRQPQUBQI-WFASDCNBSA-N 1 0 382.302 2.914 20 0 GFADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)Nc1c(F)ccc(C)c1Br ZINC000483739145 564573935 /nfs/dbraw/zinc/57/39/35/564573935.db2.gz FUQKQLMZUISECH-NSHDSACASA-N 1 0 388.281 2.682 20 0 GFADRO CNC(=O)c1cccc(NC(=O)NC[C@H]2CC[N@@H+](C(C)C)C2)c1Br ZINC000548784336 564574876 /nfs/dbraw/zinc/57/48/76/564574876.db2.gz NXZPJRVZMOCQHX-GFCCVEGCSA-N 1 0 397.317 2.661 20 0 GFADRO CC[C@@H](C)[NH+]1CCN(C(=O)Nc2cc(N(C)C)c(Br)cn2)CC1 ZINC000455860147 564575525 /nfs/dbraw/zinc/57/55/25/564575525.db2.gz DYGHCEIRRGKDEU-GFCCVEGCSA-N 1 0 384.322 2.858 20 0 GFADRO Cc1nc2cc(Cl)c(NC(=O)C(=O)N3CC[C@@H](C[NH+](C)C)C3)cc2s1 ZINC000483900246 564577345 /nfs/dbraw/zinc/57/73/45/564577345.db2.gz VITMLGGROHDHTO-NSHDSACASA-N 1 0 380.901 2.607 20 0 GFADRO COCCOc1ccc(Br)cc1NC(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000572040554 564578712 /nfs/dbraw/zinc/57/87/12/564578712.db2.gz FTVMSFLCCKOXDU-ZDUSSCGKSA-N 1 0 383.286 2.803 20 0 GFADRO Brc1ccn2cc(CN3CCC[C@@H](C[NH+]4CCOCC4)C3)nc2c1 ZINC000519489966 564579030 /nfs/dbraw/zinc/57/90/30/564579030.db2.gz HJMJSIQXEMVSKH-HNNXBMFYSA-N 1 0 393.329 2.641 20 0 GFADRO COc1c(F)cc(NC(=O)NC[C@]2([NH+](C)C)CCSC2)c(OC)c1F ZINC000455898577 564579237 /nfs/dbraw/zinc/57/92/37/564579237.db2.gz UBFBWFXCWNTVLI-MRXNPFEDSA-N 1 0 375.441 2.541 20 0 GFADRO Cc1cc(C(=O)N2CC[C@H]([C@H](C)[NH3+])C2)nn1-c1ccc(Br)cc1 ZINC000484133608 564582401 /nfs/dbraw/zinc/58/24/01/564582401.db2.gz NRVSGKBGHVUJQB-STQMWFEESA-N 1 0 377.286 2.753 20 0 GFADRO CCS(=O)(=O)N(C)CCC[NH2+][C@H]1CCc2sc(Br)cc21 ZINC000572138897 564582892 /nfs/dbraw/zinc/58/28/92/564582892.db2.gz YLKYMUSHEYLYDE-NSHDSACASA-N 1 0 381.361 2.759 20 0 GFADRO C[C@H]1CC[N@H+](CC(=O)NC[C@H]2CCN(c3cccc(Br)c3)C2)C1 ZINC000519602733 564583388 /nfs/dbraw/zinc/58/33/88/564583388.db2.gz GREIDJLBJKOPCB-LSDHHAIUSA-N 1 0 380.330 2.733 20 0 GFADRO O=C(NCc1nnc2c(Cl)cc(C(F)(F)F)cn12)[C@H]1CCCCC[NH2+]1 ZINC000572160459 564583737 /nfs/dbraw/zinc/58/37/37/564583737.db2.gz IXZIHSDSMYPLAQ-LLVKDONJSA-N 1 0 375.782 2.550 20 0 GFADRO Brc1ccccc1-n1cc(CN2CC[C@H]([NH+]3CCCC3)C2)nn1 ZINC000519673932 564586381 /nfs/dbraw/zinc/58/63/81/564586381.db2.gz OQXDOMNVJLHKMC-HNNXBMFYSA-N 1 0 376.302 2.700 20 0 GFADRO C[C@@H](C[NH+](C)C)NC(=O)NC[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000484364559 564587408 /nfs/dbraw/zinc/58/74/08/564587408.db2.gz FFPIMDUZIGHKKS-UONOGXRCSA-N 1 0 383.334 2.525 20 0 GFADRO C[C@@H](CCS(C)(=O)=O)[NH2+][C@@H](C)c1ccccc1I ZINC000484399709 564587467 /nfs/dbraw/zinc/58/74/67/564587467.db2.gz PADPMORYLYKXAW-QWRGUYRKSA-N 1 0 381.279 2.765 20 0 GFADRO Cc1nc2cc(Cl)c(NC(=O)C(=O)N3CC[NH+]4CCC3CC4)cc2s1 ZINC000484399634 564587623 /nfs/dbraw/zinc/58/76/23/564587623.db2.gz QOMOYVPYYNUIDZ-UHFFFAOYSA-N 1 0 378.885 2.503 20 0 GFADRO CC[NH+](CC)CCN(CC(=O)NC(=O)NC)Cc1ccc(Cl)c(Cl)c1 ZINC000484411263 564588286 /nfs/dbraw/zinc/58/82/86/564588286.db2.gz FQNAXZZLOGQJIQ-UHFFFAOYSA-N 1 0 389.327 2.593 20 0 GFADRO CN1CCN(C(=O)CC[NH2+][C@@H]2CCCCc3cc(Br)ccc32)CC1 ZINC000549226086 564588545 /nfs/dbraw/zinc/58/85/45/564588545.db2.gz FXWACRDRFKVUQT-GOSISDBHSA-N 1 0 394.357 2.970 20 0 GFADRO O=C(NCC[NH2+][C@@H]1CCCCc2cc(Br)ccc21)c1ccn[nH]1 ZINC000549237676 564588611 /nfs/dbraw/zinc/58/86/11/564588611.db2.gz WVOBQSMOHCNOEN-OAHLLOKOSA-N 1 0 377.286 2.959 20 0 GFADRO O=C(c1ncsc1C(F)(F)F)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000549209771 564588697 /nfs/dbraw/zinc/58/86/97/564588697.db2.gz ZFUJCPIAHLIISY-UHFFFAOYSA-N 1 0 377.432 2.736 20 0 GFADRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N1CCOc2ccc(Br)cc2C1 ZINC000549224961 564589108 /nfs/dbraw/zinc/58/91/08/564589108.db2.gz VEOUQFPURPRAIX-LRDDRELGSA-N 1 0 394.313 2.836 20 0 GFADRO CC[NH+](CC)CC[C@@H](CO)NC(=O)c1cc(F)c(F)cc1Br ZINC000519788098 564590256 /nfs/dbraw/zinc/59/02/56/564590256.db2.gz YVPBPNHIWUYRSD-JTQLQIEISA-N 1 0 379.245 2.550 20 0 GFADRO CC(C)(C)c1nc2ccc(S(=O)(=O)N3CC[C@H]4C[NH2+]C[C@H]4C3)cc2s1 ZINC000519775786 564590615 /nfs/dbraw/zinc/59/06/15/564590615.db2.gz USNLJCBZUYUYMJ-STQMWFEESA-N 1 0 379.551 2.824 20 0 GFADRO CO[C@@H](C)CCNC(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000549302386 564591235 /nfs/dbraw/zinc/59/12/35/564591235.db2.gz AOXANHBBNNAYPP-AWEZNQCLSA-N 1 0 386.334 2.947 20 0 GFADRO O=C(NCCOc1ccc(Br)cc1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000519808618 564591289 /nfs/dbraw/zinc/59/12/89/564591289.db2.gz IYRYOSCTYCRTIF-QGZVFWFLSA-N 1 0 382.302 2.613 20 0 GFADRO O=C(c1cc(Br)cc2ccccc21)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000572361559 564591597 /nfs/dbraw/zinc/59/15/97/564591597.db2.gz RJAGPTPVJYCOJU-MRXNPFEDSA-N 1 0 388.309 2.722 20 0 GFADRO CS[C@@H]1CN(CC(=O)N(C)Cc2ccc(Cl)s2)C[C@@H]1[NH+]1CCCC1 ZINC000484637067 564593492 /nfs/dbraw/zinc/59/34/92/564593492.db2.gz HYGQMCNBCGXUKA-LSDHHAIUSA-N 1 0 388.002 2.872 20 0 GFADRO C[NH+](C)CCCC(C)(C)NC(=O)Cc1cc2c(cc1Br)OCCO2 ZINC000456201488 564593987 /nfs/dbraw/zinc/59/39/87/564593987.db2.gz LZGMIABGDUHIMS-UHFFFAOYSA-N 1 0 399.329 2.999 20 0 GFADRO CS[C@@H]1CN(C[C@H](O)COc2cc(C)ccc2Cl)C[C@H]1[NH+]1CCCC1 ZINC000484660178 564594701 /nfs/dbraw/zinc/59/47/01/564594701.db2.gz YJCDOHFAPKRZSF-KVSKMBFKSA-N 1 0 384.973 2.900 20 0 GFADRO O=C(N[C@@H]1C[C@H]1c1cccc(Br)c1)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000572466757 564596207 /nfs/dbraw/zinc/59/62/07/564596207.db2.gz DRWWQNJPUKTXIT-LYHPXFHOSA-N 1 0 378.314 2.992 20 0 GFADRO CC(C)(C)OC(=O)[C@@](C)(O)C[NH2+]CC1=Cc2cc(Br)ccc2OC1 ZINC000484731563 564596523 /nfs/dbraw/zinc/59/65/23/564596523.db2.gz WMKAAPTZBQRLOI-SFHVURJKSA-N 1 0 398.297 2.907 20 0 GFADRO CC1(CNS(=O)(=O)Cc2cc(Cl)ccc2Br)CC[NH2+]CC1 ZINC000572483312 564596735 /nfs/dbraw/zinc/59/67/35/564596735.db2.gz YIRPQVWNRFDGDJ-UHFFFAOYSA-N 1 0 395.750 2.912 20 0 GFADRO COc1cc(Br)c(C[NH2+]C[C@H]2CC(=O)N(C3CC3)C2)cc1OC ZINC000572531735 564598803 /nfs/dbraw/zinc/59/88/03/564598803.db2.gz HZFHZCGSEUKFTJ-LLVKDONJSA-N 1 0 383.286 2.567 20 0 GFADRO C[C@H](NS(=O)(=O)c1cccc2nsnc21)[C@@H](c1ccccc1)[NH+](C)C ZINC000520328548 564601626 /nfs/dbraw/zinc/60/16/26/564601626.db2.gz GBELCEBEOIGTLE-SJCJKPOMSA-N 1 0 376.507 2.661 20 0 GFADRO CCCOCC(=O)Nc1cc(Br)ccc1N1CC[N@H+](C)C[C@H]1C ZINC000456374771 564603415 /nfs/dbraw/zinc/60/34/15/564603415.db2.gz QMBDPYCRTLTAJO-CYBMUJFWSA-N 1 0 384.318 2.955 20 0 GFADRO Cc1c(C[NH2+]C[C@@H](O)COc2ccc(Cl)cc2Br)cnn1C ZINC000520398199 564603558 /nfs/dbraw/zinc/60/35/58/564603558.db2.gz VDYINGSJEAQEGY-CYBMUJFWSA-N 1 0 388.693 2.674 20 0 GFADRO CC(C)[C@H](CO)C(=O)Nc1cc(Br)ccc1N1CC[N@H+](C)C[C@H]1C ZINC000456381238 564604879 /nfs/dbraw/zinc/60/48/79/564604879.db2.gz WUHBTDZFWNMOHT-HIFRSBDPSA-N 1 0 398.345 2.792 20 0 GFADRO CC[N@@H+]1CC[C@H]2OCCN(Cc3nc4cc(Br)ccc4[nH]3)[C@H]2C1 ZINC000549830277 564607030 /nfs/dbraw/zinc/60/70/30/564607030.db2.gz GCDWVWZPFZOPJS-JKSUJKDBSA-N 1 0 379.302 2.620 20 0 GFADRO Cc1cc(S(=O)(=O)NCCc2ccc(OCC[NH+](C)C)cc2)c(C)s1 ZINC000520559070 564607407 /nfs/dbraw/zinc/60/74/07/564607407.db2.gz INRVABIHNIIFPK-UHFFFAOYSA-N 1 0 382.551 2.826 20 0 GFADRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1c1nnc(-c2cc(Br)c[nH]2)n1C ZINC000520557480 564607528 /nfs/dbraw/zinc/60/75/28/564607528.db2.gz QWXQIFWXWXNSPH-DGCLKSJQSA-N 1 0 379.306 2.636 20 0 GFADRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccccc2S(=O)(=O)NC(C)(C)C)[C@H]1SC ZINC000485213358 564610126 /nfs/dbraw/zinc/61/01/26/564610126.db2.gz RZSWCAQFAVNPHE-BFYDXBDKSA-N 1 0 386.583 2.762 20 0 GFADRO COC(=O)[C@@H](NC(=O)C[N@H+](Cc1ccc(Br)cc1)C(C)C)C(C)C ZINC000572803390 564610702 /nfs/dbraw/zinc/61/07/02/564610702.db2.gz MXCINSYUULIEJD-KRWDZBQOSA-N 1 0 399.329 2.973 20 0 GFADRO C[N@@H+]1CCC[C@H](CNC(=O)C(=O)NCc2cccs2)[C@@H]1c1cccs1 ZINC000549943358 564610901 /nfs/dbraw/zinc/61/09/01/564610901.db2.gz WQPHBMDZODUYCN-CZUORRHYSA-N 1 0 377.535 2.625 20 0 GFADRO CN(Cc1c(F)cccc1Cl)S(=O)(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000520740652 564612003 /nfs/dbraw/zinc/61/20/03/564612003.db2.gz ZHGCFJNQEZLHNI-ZDUSSCGKSA-N 1 0 389.924 2.762 20 0 GFADRO CCS[C@@H]1CCC[C@H](NC(=O)C(=O)NC[C@H](c2cccs2)[NH+](C)C)C1 ZINC000550001829 564612869 /nfs/dbraw/zinc/61/28/69/564612869.db2.gz PTRDGUHXWPAEGQ-RRFJBIMHSA-N 1 0 383.583 2.648 20 0 GFADRO O=S(=O)(c1csc(-c2ccccc2)n1)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000572859468 564613937 /nfs/dbraw/zinc/61/39/37/564613937.db2.gz FPZONGDEXNFAHK-JKSUJKDBSA-N 1 0 377.535 2.963 20 0 GFADRO O=C(Nc1ccccc1I)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000572941167 564616563 /nfs/dbraw/zinc/61/65/63/564616563.db2.gz MWUJRANYMWFJEQ-HNNXBMFYSA-N 1 0 385.249 2.899 20 0 GFADRO COc1nc(C)c(Br)cc1C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000485470541 564616626 /nfs/dbraw/zinc/61/66/26/564616626.db2.gz XCJQTCSZGBHLSF-ZDUSSCGKSA-N 1 0 382.302 2.862 20 0 GFADRO O=S(=O)(c1cc(F)cc(Cl)c1)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000550211011 564617376 /nfs/dbraw/zinc/61/73/76/564617376.db2.gz GBSGKMSFUYBEOA-UHFFFAOYSA-N 1 0 390.908 2.602 20 0 GFADRO CCC[NH+]1CCN(C(=O)c2ccc(I)cc2NC)CC1 ZINC000520992272 564617693 /nfs/dbraw/zinc/61/76/93/564617693.db2.gz ZABCNEYFDIMNMU-UHFFFAOYSA-N 1 0 387.265 2.501 20 0 GFADRO CNS(=O)(=O)NC1CC[NH+](Cc2ccc(-c3ccccc3F)s2)CC1 ZINC000521127982 564619901 /nfs/dbraw/zinc/61/99/01/564619901.db2.gz LZVMWHVYNJVCAH-UHFFFAOYSA-N 1 0 383.514 2.572 20 0 GFADRO C[C@@H](C[NH+]1CCOCC1)C(=O)Nc1cccc2c(Br)ccnc12 ZINC000456594015 564620133 /nfs/dbraw/zinc/62/01/33/564620133.db2.gz SPYZKGSFILCILO-LBPRGKRZSA-N 1 0 378.270 2.904 20 0 GFADRO CC(C)(CC[NH2+]CCC(=O)Nc1cccc(Br)c1)S(C)(=O)=O ZINC000573084403 564622817 /nfs/dbraw/zinc/62/28/17/564622817.db2.gz UFQXNEIKYZPPAZ-UHFFFAOYSA-N 1 0 391.331 2.581 20 0 GFADRO CN1CCN(S(=O)(=O)Cc2cccc(Br)c2)c2c[nH+]ccc21 ZINC000550432775 564624166 /nfs/dbraw/zinc/62/41/66/564624166.db2.gz XQXHYOVZCZHVNW-UHFFFAOYSA-N 1 0 382.283 2.630 20 0 GFADRO Cn1c2cc(Br)ccc2nc1C[N@H+](C)C1(CCO)CCOCC1 ZINC000485808317 564626251 /nfs/dbraw/zinc/62/62/51/564626251.db2.gz YDVLQDQYDHFLHB-UHFFFAOYSA-N 1 0 382.302 2.699 20 0 GFADRO CNC(=O)[C@@H](C[NH2+]Cc1ccc(Br)cn1)Cc1ccc(F)cc1C ZINC000521434940 564627339 /nfs/dbraw/zinc/62/73/39/564627339.db2.gz HLZRMJUJMXGCOX-CQSZACIVSA-N 1 0 394.288 2.986 20 0 GFADRO O[C@H](C[NH2+][C@H]1COc2ccccc2C1)COc1ccccc1Br ZINC000550700570 564628864 /nfs/dbraw/zinc/62/88/64/564628864.db2.gz XDNGGPMUPXLUBV-HUUCEWRRSA-N 1 0 378.266 2.782 20 0 GFADRO CC(C)NS(=O)(=O)NC[C@@H](c1ccccc1)N1CCc2sccc2C1 ZINC000485877243 564628984 /nfs/dbraw/zinc/62/89/84/564628984.db2.gz XESOGUGQGCTAAD-KRWDZBQOSA-N 1 0 379.551 2.680 20 0 GFADRO OCCN(Cc1nnnn1-c1ccccc1Br)CC1CCCCC1 ZINC000485876809 564629513 /nfs/dbraw/zinc/62/95/13/564629513.db2.gz VVCKIOUOPSWFTM-UHFFFAOYSA-N 1 0 394.317 2.799 20 0 GFADRO CC(C)(C)[C@H](O)C[N@@H+]1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000550713048 564629747 /nfs/dbraw/zinc/62/97/47/564629747.db2.gz SFDNJXFHXAEYDI-TZMCWYRMSA-N 1 0 384.318 2.902 20 0 GFADRO COc1cc(C(=O)N2CC[N@H+](C)C[C@H]2C(C)C)cc(Br)c1OC ZINC000550716896 564629902 /nfs/dbraw/zinc/62/99/02/564629902.db2.gz XGTBTNMRRBLLKQ-AWEZNQCLSA-N 1 0 385.302 2.879 20 0 GFADRO CN(C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)S(=O)(=O)c1cccs1 ZINC000550823691 564632450 /nfs/dbraw/zinc/63/24/50/564632450.db2.gz ZQJHRNCAIQINGB-KRWDZBQOSA-N 1 0 380.535 2.660 20 0 GFADRO COc1cccc(COCC[NH2+][C@@H](C)Cn2cc(Br)ccc2=O)c1 ZINC000550938627 564634483 /nfs/dbraw/zinc/63/44/83/564634483.db2.gz ZZXUTSCLAKMGKR-AWEZNQCLSA-N 1 0 395.297 2.814 20 0 GFADRO CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2CC(=O)N(c3ccc(Cl)c(F)c3)C2)C1 ZINC000550938432 564634658 /nfs/dbraw/zinc/63/46/58/564634658.db2.gz VUAUWSJOTYPBDO-OUCADQQQSA-N 1 0 388.892 2.530 20 0 GFADRO CC[NH+]1CCN(CC(C)(C)NC(=O)Cc2ccc(Br)s2)CC1 ZINC000456878350 564636739 /nfs/dbraw/zinc/63/67/39/564636739.db2.gz DGFNGHWZRXSCKV-UHFFFAOYSA-N 1 0 388.375 2.585 20 0 GFADRO CC[NH+]1CCN(CC(C)(C)NC(=O)c2cc(Br)ccc2C)CC1 ZINC000456902598 564638355 /nfs/dbraw/zinc/63/83/55/564638355.db2.gz QCPGIJODDAJMJB-UHFFFAOYSA-N 1 0 382.346 2.903 20 0 GFADRO C[C@@H]1CN(C(=O)c2cc(Br)cs2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000486078377 564638830 /nfs/dbraw/zinc/63/88/30/564638830.db2.gz VAZWCDWFIUPJML-TZMCWYRMSA-N 1 0 386.359 2.609 20 0 GFADRO CC[NH+](CC)CCO[C@H]1CCN(S(=O)(=O)c2cc(Cl)ccc2F)C1 ZINC000551163319 564640030 /nfs/dbraw/zinc/64/00/30/564640030.db2.gz VNFXBJYPIGLFFK-AWEZNQCLSA-N 1 0 378.897 2.601 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C(=O)N[C@@H](CC[NH3+])C(F)F ZINC000522000078 564641460 /nfs/dbraw/zinc/64/14/60/564641460.db2.gz HGRGKSZWHPNDIW-ZDUSSCGKSA-N 1 0 387.228 2.656 20 0 GFADRO O=S(=O)(CC[NH+]1CCCC1)NCc1cc(Cl)ccc1Br ZINC000573560152 564643431 /nfs/dbraw/zinc/64/34/31/564643431.db2.gz BLOBODGUTPBTMI-UHFFFAOYSA-N 1 0 381.723 2.618 20 0 GFADRO COc1cc(Br)c(CN2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)cc1O ZINC000573576740 564644610 /nfs/dbraw/zinc/64/46/10/564644610.db2.gz WIYVARLHYYPAJJ-YJBOKZPZSA-N 1 0 399.329 2.882 20 0 GFADRO CC1(C)CCC[N@@H+]1CCNC(=O)CCNC(=O)c1ccc(Br)cc1 ZINC000457078155 564645075 /nfs/dbraw/zinc/64/50/75/564645075.db2.gz QQGOINYPPZGDEE-UHFFFAOYSA-N 1 0 396.329 2.560 20 0 GFADRO O=C(NCC[NH2+]C[C@@H](O)COc1c(Cl)cccc1Cl)c1ccccc1 ZINC000573595960 564645030 /nfs/dbraw/zinc/64/50/30/564645030.db2.gz NNZCHCYFDRWXSP-CQSZACIVSA-N 1 0 383.275 2.753 20 0 GFADRO CC(=O)Nc1ccc(OC[C@H](O)C[NH2+]Cc2ccc(Br)cc2)cc1 ZINC000573596328 564645077 /nfs/dbraw/zinc/64/50/77/564645077.db2.gz PXXZXTRHZTYMPA-QGZVFWFLSA-N 1 0 393.281 2.937 20 0 GFADRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1cc(I)c[nH]1 ZINC000522364974 564650211 /nfs/dbraw/zinc/65/02/11/564650211.db2.gz GZPSRJQEJLNACI-TUAOUCFPSA-N 1 0 389.281 2.716 20 0 GFADRO C[N@H+](CCCCNC(=O)CCNC(=O)c1ccc(Br)cc1)C1CC1 ZINC000457171917 564650395 /nfs/dbraw/zinc/65/03/95/564650395.db2.gz JAZFEGFRWVLABA-UHFFFAOYSA-N 1 0 396.329 2.560 20 0 GFADRO Cc1c(Br)scc1C(=O)N(C)CCC[N@@H+](C)CCN(C)C ZINC000573721146 564651546 /nfs/dbraw/zinc/65/15/46/564651546.db2.gz HNGQCQVGFSJWJI-UHFFFAOYSA-N 1 0 376.364 2.775 20 0 GFADRO C[NH+](C)CC[C@H](NS(=O)(=O)c1cc2c(cc1Cl)OCCO2)C(C)(C)C ZINC000522556812 564652880 /nfs/dbraw/zinc/65/28/80/564652880.db2.gz AWZSTENSKYHKIE-INIZCTEOSA-N 1 0 390.933 2.756 20 0 GFADRO Cc1ncsc1C[NH2+]CC(=O)Nc1ccc(I)cc1 ZINC000551586579 564655826 /nfs/dbraw/zinc/65/58/26/564655826.db2.gz FNNBAKXCEHEFFM-UHFFFAOYSA-N 1 0 387.246 2.784 20 0 GFADRO O=S1(=O)CCO[C@H](C[NH2+][C@H]2CC[C@H](c3ccc(C(F)(F)F)cc3)C2)C1 ZINC000573883468 564657767 /nfs/dbraw/zinc/65/77/67/564657767.db2.gz DAOJTECUFADZMB-CWRNSKLLSA-N 1 0 377.428 2.745 20 0 GFADRO COC[C@@]1(CNC(=O)[C@H](C)Sc2ccc(Br)cc2)CCC[NH2+]1 ZINC000573913624 564659787 /nfs/dbraw/zinc/65/97/87/564659787.db2.gz BOWNMVFHDDYADK-LRDDRELGSA-N 1 0 387.343 2.815 20 0 GFADRO COCC[C@@H]([NH2+]C[C@H]1CCN(S(C)(=O)=O)C1)c1ccc(Cl)c(Cl)c1 ZINC000551723128 564661334 /nfs/dbraw/zinc/66/13/34/564661334.db2.gz FGMGFDSSEIDUPK-MLGOLLRUSA-N 1 0 395.352 2.942 20 0 GFADRO CC(C)COC[C@@H](O)C[NH2+][C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000573957495 564661898 /nfs/dbraw/zinc/66/18/98/564661898.db2.gz ZALYTHOVCHDBJH-BBRMVZONSA-N 1 0 375.296 2.722 20 0 GFADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)[C@@H]1C[C@H]2CC(=O)[C@@H]1C2 ZINC000457500460 564663386 /nfs/dbraw/zinc/66/33/86/564663386.db2.gz NZYVKUPATOBKIU-USXIJHARSA-N 1 0 393.325 2.955 20 0 GFADRO COc1ccc([C@H](C[NH+](C)C)NC(=O)c2ncsc2Br)cc1 ZINC000573992958 564663834 /nfs/dbraw/zinc/66/38/34/564663834.db2.gz VYTUPJCEDGOCDJ-LBPRGKRZSA-N 1 0 384.299 2.947 20 0 GFADRO O=C(NCC[NH+]1CCCCC1)NCc1nc2c(cccc2Br)[nH]1 ZINC000457544913 564665237 /nfs/dbraw/zinc/66/52/37/564665237.db2.gz QGLYQJDSVLTYPJ-UHFFFAOYSA-N 1 0 380.290 2.611 20 0 GFADRO O=C(CC[NH2+]Cc1cc(Br)c2c(c1)OCCO2)Nc1ccccn1 ZINC000523390986 564665885 /nfs/dbraw/zinc/66/58/85/564665885.db2.gz QMQSPUKRVPSVOF-UHFFFAOYSA-N 1 0 392.253 2.734 20 0 GFADRO COCCCN(C(=O)Cc1ccccc1Br)C1CC[NH+](C)CC1 ZINC000574093594 564667704 /nfs/dbraw/zinc/66/77/04/564667704.db2.gz KTCGUZVYNAWLBY-UHFFFAOYSA-N 1 0 383.330 2.951 20 0 GFADRO Cc1cc(N2CCC[N@H+](CCO)CC2)c2cc(Br)cc(F)c2n1 ZINC000523517785 564668424 /nfs/dbraw/zinc/66/84/24/564668424.db2.gz VUGBHPZYFNAEKG-UHFFFAOYSA-N 1 0 382.277 2.949 20 0 GFADRO C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)c1c(O)cnc2c(Br)cccc21 ZINC000486946171 564670908 /nfs/dbraw/zinc/67/09/08/564670908.db2.gz YEFMQFKPLPYROX-GHMZBOCLSA-N 1 0 378.270 2.868 20 0 GFADRO CN(C[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C)C(=O)c1cc(Br)co1 ZINC000457800795 564673563 /nfs/dbraw/zinc/67/35/63/564673563.db2.gz UNOXZHWOELNFGF-BLLLJJGKSA-N 1 0 395.301 2.931 20 0 GFADRO CC(=O)Nc1nc(C(=O)NC[C@H](C[NH+](C)C)c2ccc(Cl)cc2)cs1 ZINC000552027526 564674546 /nfs/dbraw/zinc/67/45/46/564674546.db2.gz OSNVCGUVLNDLNY-CYBMUJFWSA-N 1 0 380.901 2.830 20 0 GFADRO Cc1cc(S(=O)(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)c(F)cc1Br ZINC000574452489 564674703 /nfs/dbraw/zinc/67/47/03/564674703.db2.gz JIRSYMHBJDPPKD-GHMZBOCLSA-N 1 0 379.295 2.692 20 0 GFADRO C[C@@H](CNS(=O)(=O)c1cc2c(cc1Cl)OCCO2)[NH+]1CCC(C)CC1 ZINC000524016007 564675736 /nfs/dbraw/zinc/67/57/36/564675736.db2.gz AREVLPAHSXURSM-ZDUSSCGKSA-N 1 0 388.917 2.510 20 0 GFADRO COC(=O)c1ccc(C[NH2+][C@H](C2CC2)[C@@]2(CO)CCCO2)c(Br)c1 ZINC000552147158 564679491 /nfs/dbraw/zinc/67/94/91/564679491.db2.gz PBXZVBPFHVUVDO-AEFFLSMTSA-N 1 0 398.297 2.645 20 0 GFADRO C[C@H](C(=O)N1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1)N1CCSCC1 ZINC000457924578 564679603 /nfs/dbraw/zinc/67/96/03/564679603.db2.gz KVXOJSIYYQLOKJ-ZIAGYGMSSA-N 1 0 380.476 2.631 20 0 GFADRO O=C(CCCOc1ccc(Cl)cc1Cl)NC[C@@]1(O)C[NH+]2CCC1CC2 ZINC000552207269 564682060 /nfs/dbraw/zinc/68/20/60/564682060.db2.gz IVUVEFOPQOWUGH-GOSISDBHSA-N 1 0 387.307 2.725 20 0 GFADRO COc1cc(C)c(Br)cc1S(=O)(=O)NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000574637174 564682818 /nfs/dbraw/zinc/68/28/18/564682818.db2.gz FDYUOEAWXWIDBC-NEPJUHHUSA-N 1 0 391.331 2.562 20 0 GFADRO Cc1nc(-c2cnn(C)c2)sc1C(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000524522870 564682861 /nfs/dbraw/zinc/68/28/61/564682861.db2.gz PLQBSOSQXORQCM-CQSZACIVSA-N 1 0 375.523 2.946 20 0 GFADRO [NH3+]Cc1cn([C@@H]2CCCN(C(=O)Nc3ccc(Br)cc3F)C2)nn1 ZINC000574663227 564683833 /nfs/dbraw/zinc/68/38/33/564683833.db2.gz MYJKACWOUUZARC-GFCCVEGCSA-N 1 0 397.252 2.507 20 0 GFADRO COCC[C@H](Cc1cccc(Br)c1)C(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000524633453 564684907 /nfs/dbraw/zinc/68/49/07/564684907.db2.gz HTZARLVVKXDLLM-JKSUJKDBSA-N 1 0 383.330 2.712 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)N(CCO)Cc1cccc(Br)c1 ZINC000487375956 564685216 /nfs/dbraw/zinc/68/52/16/564685216.db2.gz KGJSCGHMEXGICL-IAGOWNOFSA-N 1 0 396.329 2.580 20 0 GFADRO C[C@H]1CC[N@H+](CCNC(=O)c2nn(-c3ccc(F)cc3)cc2Br)C1 ZINC000524720852 564686050 /nfs/dbraw/zinc/68/60/50/564686050.db2.gz FSYIYHGVYMPHDR-LBPRGKRZSA-N 1 0 395.276 2.846 20 0 GFADRO COc1cc(C)c(Br)cc1C(=O)N1C[C@H](SC)[C@@H]([NH+](C)C)C1 ZINC000552397945 564689524 /nfs/dbraw/zinc/68/95/24/564689524.db2.gz RPWXVCFEBFKPOV-ZFWWWQNUSA-N 1 0 387.343 2.884 20 0 GFADRO C[NH+]1CCC(CCO)(NC(=O)c2cc(F)c(Br)c(Cl)c2)CC1 ZINC000552429714 564690353 /nfs/dbraw/zinc/69/03/53/564690353.db2.gz NCBJVQDNJGGVSU-UHFFFAOYSA-N 1 0 393.684 2.818 20 0 GFADRO CCC[N@H+](C)CC(=O)N(CCc1ccc(Cl)cc1Cl)CC(=O)OC ZINC000524967461 564691472 /nfs/dbraw/zinc/69/14/72/564691472.db2.gz ZXRLFSMDVPJBLV-UHFFFAOYSA-N 1 0 375.296 2.879 20 0 GFADRO O=C(NCCC[NH+]1CCCCC1)N(CCO)Cc1cccc(Br)c1 ZINC000487630693 564692990 /nfs/dbraw/zinc/69/29/90/564692990.db2.gz GNYAYUJWESWXSS-UHFFFAOYSA-N 1 0 398.345 2.829 20 0 GFADRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)c1c[nH]c2nccc(Cl)c12 ZINC000487647894 564693749 /nfs/dbraw/zinc/69/37/49/564693749.db2.gz HWZBMSJPDODWMN-XQQFMLRXSA-N 1 0 384.933 2.861 20 0 GFADRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)C(=O)NCCc2cc(Cl)cc(Cl)c2)C1 ZINC000552507731 564694081 /nfs/dbraw/zinc/69/40/81/564694081.db2.gz OJHVSLFEBOJHRD-HOTGVXAUSA-N 1 0 386.323 2.641 20 0 GFADRO CC(C)N(CC[NH+](C)C)C(=O)C(=O)N[C@@H](C)Cc1ccc(Cl)cc1Cl ZINC000552524100 564695037 /nfs/dbraw/zinc/69/50/37/564695037.db2.gz YJWXZVLRYQQXNN-ZDUSSCGKSA-N 1 0 388.339 2.839 20 0 GFADRO C[C@@H]1C[N@H+](CCC[NH2+]C[C@@H](O)COc2c(Cl)cccc2Cl)CCCO1 ZINC000575252867 564695229 /nfs/dbraw/zinc/69/52/29/564695229.db2.gz PUXPTCOIQJBNLU-HUUCEWRRSA-N 1 0 391.339 2.824 20 0 GFADRO C[C@@H]1CN(C(=O)N[C@H]2CCc3c2cccc3Br)C[C@H](C)[N@H+]1CCO ZINC000458263951 564696484 /nfs/dbraw/zinc/69/64/84/564696484.db2.gz CSCICCYHVZGLSB-AHIWAGSCSA-N 1 0 396.329 2.533 20 0 GFADRO CN(C)CC[N@H+](C)CCCN(C)Cc1nc2ccc(Br)cc2n1C ZINC000576023486 564704870 /nfs/dbraw/zinc/70/48/70/564704870.db2.gz SLXVQDWHXFEVPR-UHFFFAOYSA-N 1 0 396.377 2.651 20 0 GFADRO COc1ccc(Br)cc1C(=O)CCC(=O)NCC[N@@H+]1CC[C@@H](C)C1 ZINC000525804458 564709105 /nfs/dbraw/zinc/70/91/05/564709105.db2.gz XOUAMSYHGNYQAH-CYBMUJFWSA-N 1 0 397.313 2.879 20 0 GFADRO CC[C@@H]1[C@H](CO)CCN1C(=O)NCc1cn2cc(Br)cc(C)c2n1 ZINC000458645226 564709848 /nfs/dbraw/zinc/70/98/48/564709848.db2.gz FYDRWLPCNZTZQT-SWLSCSKDSA-N 1 0 395.301 2.708 20 0 GFADRO CN(C[C@H](O)C[NH2+]CC1(c2ccc(Br)cc2)CCOCC1)C1CC1 ZINC000576272369 564711293 /nfs/dbraw/zinc/71/12/93/564711293.db2.gz WXLRFUVVBBVINQ-GOSISDBHSA-N 1 0 397.357 2.542 20 0 GFADRO C[N@H+](CC(=O)N[C@H]1CCN(c2ccccc2Br)C1)[C@H]1CCSC1 ZINC000488701195 564718294 /nfs/dbraw/zinc/71/82/94/564718294.db2.gz YFRMOIHEFZMFCY-KBPBESRZSA-N 1 0 398.370 2.581 20 0 GFADRO O=C(NC1CC[NH+](Cc2cccnc2)CC1)c1ncsc1Br ZINC000553462301 564721135 /nfs/dbraw/zinc/72/11/35/564721135.db2.gz LYHXBDHKUZLJSN-UHFFFAOYSA-N 1 0 381.299 2.695 20 0 GFADRO O=C(CCOc1ccc(Cl)cc1Cl)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000488841721 564721827 /nfs/dbraw/zinc/72/18/27/564721827.db2.gz PPMDALOYVKJUJS-CQSZACIVSA-N 1 0 387.307 2.943 20 0 GFADRO CSc1ccc([C@H](CNC(=O)N[C@H](CO)CC(F)(F)F)[NH+](C)C)cc1 ZINC000458879660 564722424 /nfs/dbraw/zinc/72/24/24/564722424.db2.gz CHNRIKOQFTYWIC-JSGCOSHPSA-N 1 0 379.448 2.624 20 0 GFADRO CCN(CC[NH+]1CCCCCC1)S(=O)(=O)c1ccc(Br)o1 ZINC000553574703 564727743 /nfs/dbraw/zinc/72/77/43/564727743.db2.gz AQVTYCQTCPREBZ-UHFFFAOYSA-N 1 0 379.320 2.929 20 0 GFADRO C[C@@H](NC(=O)Cc1noc2ccc(Br)cc21)C1=CC[N@H+](C)CC1 ZINC000577173107 564728439 /nfs/dbraw/zinc/72/84/39/564728439.db2.gz YACOOSSIZQXALB-LLVKDONJSA-N 1 0 378.270 2.899 20 0 GFADRO COc1cc(C)c(S(=O)(=O)N2C[C@@H](SC)[C@@H]([NH+]3CCCC3)C2)c(C)c1 ZINC000527076716 564728829 /nfs/dbraw/zinc/72/88/29/564728829.db2.gz WNFVKMSRHBCJME-DLBZAZTESA-N 1 0 384.567 2.512 20 0 GFADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)N[C@@H]1COCC1(C)C ZINC000459101155 564730679 /nfs/dbraw/zinc/73/06/79/564730679.db2.gz CMWVLLBZUGYCBC-MRXNPFEDSA-N 1 0 398.345 2.947 20 0 GFADRO Cc1nc(NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)sc1SCC(N)=O ZINC000577261100 564731872 /nfs/dbraw/zinc/73/18/72/564731872.db2.gz OILCWPRAUAVRLZ-ZDUSSCGKSA-N 1 0 382.555 2.765 20 0 GFADRO C[N@H+](CCNS(=O)(=O)c1cccc(OC(F)(F)F)c1F)C1CCCC1 ZINC000489188162 564732289 /nfs/dbraw/zinc/73/22/89/564732289.db2.gz XEIVNQFQANRNJO-UHFFFAOYSA-N 1 0 384.395 2.877 20 0 GFADRO C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+]1CC[C@](O)(C2CC2)C1 ZINC000489226540 564733127 /nfs/dbraw/zinc/73/31/27/564733127.db2.gz XDTYMFPKEDZAKG-SCLBCKFNSA-N 1 0 381.314 2.643 20 0 GFADRO Cc1cc(Br)cc(C)c1CNC(=O)N1CC[N@@H+](C[C@H](C)O)C[C@@H]1C ZINC000489260268 564734022 /nfs/dbraw/zinc/73/40/22/564734022.db2.gz RZNKQGMVJMPFIM-GJZGRUSLSA-N 1 0 398.345 2.662 20 0 GFADRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)Cc1cccc(I)c1 ZINC000553767826 564734861 /nfs/dbraw/zinc/73/48/61/564734861.db2.gz KSBYDIKIQFFFLG-XJKSGUPXSA-N 1 0 398.288 2.919 20 0 GFADRO C[C@H](O)C[N@@H+]1CCN(Cc2ccc(OC(F)F)c(Br)c2)[C@H](C)C1 ZINC000577523787 564736066 /nfs/dbraw/zinc/73/60/66/564736066.db2.gz LFMOXYJDHPVYGG-NEPJUHHUSA-N 1 0 393.272 2.937 20 0 GFADRO O=C(NCCC[C@H]1CCC[NH2+]1)c1cc(=O)[nH]c2c(Br)cccc12 ZINC000577512070 564736367 /nfs/dbraw/zinc/73/63/67/564736367.db2.gz HUFAKKNCVWZLRN-LLVKDONJSA-N 1 0 378.270 2.965 20 0 GFADRO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1nc2c(cccc2Br)[nH]1 ZINC000459195861 564736465 /nfs/dbraw/zinc/73/64/65/564736465.db2.gz GOAJOSCTRLHVOU-VXGBXAGGSA-N 1 0 392.301 2.704 20 0 GFADRO CN(C(=O)NCC1=CC[NH2+]CC1)[C@H]1CCOc2ccc(Br)cc21 ZINC000577593311 564737293 /nfs/dbraw/zinc/73/72/93/564737293.db2.gz TTZFVLWVVAUREJ-HNNXBMFYSA-N 1 0 380.286 2.834 20 0 GFADRO CC(C)[C@@H]1CN(C(=O)Cc2ccccc2I)CC[N@@H+]1C ZINC000489393054 564737790 /nfs/dbraw/zinc/73/77/90/564737790.db2.gz SWDUGNOUPJNGOZ-HNNXBMFYSA-N 1 0 386.277 2.632 20 0 GFADRO CC(C)[NH+]1CCC(N2CCN(S(=O)(=O)c3ccccc3Cl)CC2)CC1 ZINC000489406846 564739097 /nfs/dbraw/zinc/73/90/97/564739097.db2.gz VIGCZGNRNVZXLF-UHFFFAOYSA-N 1 0 385.961 2.519 20 0 GFADRO COCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](Cc2cccc(O)c2Br)C1 ZINC000459332309 564740240 /nfs/dbraw/zinc/74/02/40/564740240.db2.gz VLLTWTUVVUXDFB-GXTWGEPZSA-N 1 0 385.302 2.518 20 0 GFADRO CS[C@@H]1CN(S(=O)(=O)c2ccc(C(F)F)cc2)C[C@@H]1[NH+]1CCCC1 ZINC000553853095 564740373 /nfs/dbraw/zinc/74/03/73/564740373.db2.gz OVBZKHOWZJFVNG-LSDHHAIUSA-N 1 0 376.494 2.825 20 0 GFADRO O=C(c1c(O)cnc2c(Br)cccc21)N1CC[NH+](CC2CC2)CC1 ZINC000578054361 564740398 /nfs/dbraw/zinc/74/03/98/564740398.db2.gz UHLXNQNPUMYWSP-UHFFFAOYSA-N 1 0 390.281 2.871 20 0 GFADRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(S(=O)(=O)N(C)C(C)C)cc2)[C@@H]1SC ZINC000459401893 564742689 /nfs/dbraw/zinc/74/26/89/564742689.db2.gz YSIHISCSZLRSJN-KURKYZTESA-N 1 0 386.583 2.714 20 0 GFADRO Cc1csc(C(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)c1I ZINC000579352897 564747148 /nfs/dbraw/zinc/74/71/48/564747148.db2.gz LSMZNMTZXPNHOR-PHIMTYICSA-N 1 0 390.290 2.733 20 0 GFADRO C[N@@H+]1CCC[C@H](CNC(=O)N2CCc3ccc(F)c(Br)c3C2)C1 ZINC000527592903 564748205 /nfs/dbraw/zinc/74/82/05/564748205.db2.gz FDDOCYBYJODSJR-GFCCVEGCSA-N 1 0 384.293 2.998 20 0 GFADRO Cn1ccnc1CN1C[C@@H](F)C[C@H]1C[NH2+]Cc1cccc(O)c1Br ZINC000459515191 564748955 /nfs/dbraw/zinc/74/89/55/564748955.db2.gz PYHAHWKATISTCR-KBPBESRZSA-N 1 0 397.292 2.590 20 0 GFADRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1cccc(I)c1 ZINC000579629077 564749531 /nfs/dbraw/zinc/74/95/31/564749531.db2.gz RCOBPVSYQSSALL-DOMZBBRYSA-N 1 0 384.261 2.990 20 0 GFADRO CN(C)S(=O)(=O)[C@@H]1CN(Cc2ccc(C3CC3)cc2)C[C@H]1C(F)(F)F ZINC000459540809 564749729 /nfs/dbraw/zinc/74/97/29/564749729.db2.gz RUWUUWXJGLYULV-HZPDHXFCSA-N 1 0 376.444 2.818 20 0 GFADRO COC(=O)c1ccc(S(=O)(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)c(Cl)c1 ZINC000579637880 564750251 /nfs/dbraw/zinc/75/02/51/564750251.db2.gz VEZFEQXSXYLBMK-OAHLLOKOSA-N 1 0 390.933 2.771 20 0 GFADRO CON1CCC(N(C)Cc2noc(Cc3ccc(Br)cc3)n2)CC1 ZINC000459580853 564751602 /nfs/dbraw/zinc/75/16/02/564751602.db2.gz MGVHXAUDCHNFPO-UHFFFAOYSA-N 1 0 395.301 2.881 20 0 GFADRO COc1cc(Br)c(CNC(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)cc1OC ZINC000579814590 564752488 /nfs/dbraw/zinc/75/24/88/564752488.db2.gz WKNTYROEAAHWCK-CYBMUJFWSA-N 1 0 398.301 2.502 20 0 GFADRO CC(C)Oc1cc(Cl)c(C[NH2+]CC2(O)CCS(=O)(=O)CC2)cc1Cl ZINC000527663674 564754276 /nfs/dbraw/zinc/75/42/76/564754276.db2.gz BJNSGTJOBCFRMR-UHFFFAOYSA-N 1 0 396.336 2.810 20 0 GFADRO O=C1COc2ccccc2N1CCC[NH2+]Cc1ncc(Br)cc1F ZINC000527669985 564754556 /nfs/dbraw/zinc/75/45/56/564754556.db2.gz ZFAYWLSFXZVRPN-UHFFFAOYSA-N 1 0 394.244 2.889 20 0 GFADRO CN(CC(=O)Nc1ccccc1Br)C(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000489865571 564755459 /nfs/dbraw/zinc/75/54/59/564755459.db2.gz XIZGREAWJUGCKW-XPKDYRNWSA-N 1 0 394.313 2.767 20 0 GFADRO Cc1csc(C(=O)NCC2(C)CC[NH2+]CC2)c1I ZINC000580304025 564755596 /nfs/dbraw/zinc/75/55/96/564755596.db2.gz LBJZCDBDNBAFSL-UHFFFAOYSA-N 1 0 378.279 2.781 20 0 GFADRO CCC[N@H+](C)[C@H](CNS(=O)(=O)c1cnn(C)c1C)c1ccc(Cl)cc1 ZINC000489871597 564756172 /nfs/dbraw/zinc/75/61/72/564756172.db2.gz BZXBLBLBWQYVAJ-MRXNPFEDSA-N 1 0 384.933 2.743 20 0 GFADRO COC(=O)c1cc(C[NH2+]C[C@H](CO)Cc2cc(F)cc(Br)c2)c[nH]1 ZINC000459693107 564756929 /nfs/dbraw/zinc/75/69/29/564756929.db2.gz HNWYVOCEDMDRMB-CYBMUJFWSA-N 1 0 399.260 2.644 20 0 GFADRO CN(C)c1ccncc1C[NH2+]C[C@@H](CO)Cc1cc(F)cc(Br)c1 ZINC000459693901 564757841 /nfs/dbraw/zinc/75/78/41/564757841.db2.gz IBUWPLUVFHDNPP-AWEZNQCLSA-N 1 0 396.304 2.990 20 0 GFADRO C[C@@H]1C[C@@H]([NH2+]C[C@@H](CO)Cc2cc(F)cc(Br)c2)CN1C1CC1 ZINC000459710913 564757916 /nfs/dbraw/zinc/75/79/16/564757916.db2.gz UYKCNYOIWKDQKX-HACGYAERSA-N 1 0 385.321 2.954 20 0 GFADRO CC[N@@H+]1CCCC[C@@H]1CNS(=O)(=O)c1cc(Br)c(F)cc1F ZINC000554370215 564758763 /nfs/dbraw/zinc/75/87/63/564758763.db2.gz LGJNVZQEQRIDMD-SNVBAGLBSA-N 1 0 397.285 2.880 20 0 GFADRO CN1CC[C@@H](C[NH2+]Cc2c[nH]nc2-c2ccc(Br)s2)CC1=O ZINC000527722199 564758777 /nfs/dbraw/zinc/75/87/77/564758777.db2.gz RZROJTOQEJLXFV-SNVBAGLBSA-N 1 0 383.315 2.859 20 0 GFADRO CO[C@@H]1COC[C@@H]1[NH2+][C@@H](C)CCc1ccc(I)cc1 ZINC000459751291 564759625 /nfs/dbraw/zinc/75/96/25/564759625.db2.gz IFORDUIJNXCLHH-TUKIKUTGSA-N 1 0 375.250 2.616 20 0 GFADRO COc1cc(C[NH2+]C[C@H](O)[C@H]2CCCO2)cc(Br)c1OC(F)F ZINC000527759344 564759742 /nfs/dbraw/zinc/75/97/42/564759742.db2.gz SXQZHWXGBMEWRN-NWDGAFQWSA-N 1 0 396.228 2.689 20 0 GFADRO CO[C@@H]1C[C@H]([NH2+]C[C@@H](O)COc2cc(F)cc(Br)c2)C12CCC2 ZINC000459772156 564761058 /nfs/dbraw/zinc/76/10/58/564761058.db2.gz SAFAAIDNKZYDRC-VNQPRFMTSA-N 1 0 388.277 2.875 20 0 GFADRO Cc1c([C@H](C)[NH2+]C[C@H](O)[C@@H]2CCCO2)nnn1-c1cccc(Br)c1 ZINC000527950003 564765152 /nfs/dbraw/zinc/76/51/52/564765152.db2.gz CUUZOHCVBIKUCT-UVBJJODRSA-N 1 0 395.301 2.529 20 0 GFADRO Cn1c(C[NH2+][C@H](C2CC2)[C@@]2(CO)CCCO2)nc2ccc(Br)cc21 ZINC000580575340 564765153 /nfs/dbraw/zinc/76/51/53/564765153.db2.gz NTQHITVABZFBHP-MSOLQXFVSA-N 1 0 394.313 2.746 20 0 GFADRO C[C@@H]([NH2+]C[C@@H](n1cccn1)C(F)(F)F)c1ccc(NS(C)(=O)=O)cc1 ZINC000527929501 564765194 /nfs/dbraw/zinc/76/51/94/564765194.db2.gz DCOWUWVPMWRRJL-BXUZGUMPSA-N 1 0 376.404 2.709 20 0 GFADRO C[N@H+](CCOc1ccc(Cl)cc1Br)CCN1CCOCC1 ZINC000490198658 564765399 /nfs/dbraw/zinc/76/53/99/564765399.db2.gz RXEYHSNDXJFCBX-UHFFFAOYSA-N 1 0 377.710 2.745 20 0 GFADRO CS(=O)(=O)[C@H]1CCCC[C@H]1[NH2+]CCc1cnc(SC2CCCC2)nc1 ZINC000580633482 564767312 /nfs/dbraw/zinc/76/73/12/564767312.db2.gz MFPQWJCCTWHCEZ-SJORKVTESA-N 1 0 383.583 2.999 20 0 GFADRO C[C@H](Oc1ccc(F)cc1Br)C(=O)N1CC[C@H]2CC[N@H+](C)C[C@H]21 ZINC000490302225 564768497 /nfs/dbraw/zinc/76/84/97/564768497.db2.gz WOYNFXYJOFQFHE-YWPYICTPSA-N 1 0 385.277 2.908 20 0 GFADRO C[C@H]1CN(S(=O)(=O)c2ccc(Br)cc2)CC[N@@H+](C2CCC2)C1 ZINC000490421826 564770777 /nfs/dbraw/zinc/77/07/77/564770777.db2.gz HTFHTHHFIWMESK-CYBMUJFWSA-N 1 0 387.343 2.944 20 0 GFADRO CCn1c(-c2cc(Br)c[nH]2)nnc1N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000460206060 564771681 /nfs/dbraw/zinc/77/16/81/564771681.db2.gz RXPFBMRNWVNIOV-ZDUSSCGKSA-N 1 0 379.306 2.729 20 0 GFADRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)NCc1ccc(Br)c(F)c1F ZINC000528254537 564774527 /nfs/dbraw/zinc/77/45/27/564774527.db2.gz DIBVTGMRDMEIPK-LLVKDONJSA-N 1 0 376.245 2.963 20 0 GFADRO C[C@@H]1CCc2ccc(Br)cc2[C@@H]([NH2+]CCS(=O)(=O)N(C)C)C1 ZINC000555005352 564780911 /nfs/dbraw/zinc/78/09/11/564780911.db2.gz MEJVERLQJPOMID-WBMJQRKESA-N 1 0 389.359 2.944 20 0 GFADRO CC[NH+]1CCN([C@H]2CCN(Cc3ccc(Br)c(F)c3F)C2)CC1 ZINC000528382948 564781338 /nfs/dbraw/zinc/78/13/38/564781338.db2.gz ULWYFVQYBNOAAA-AWEZNQCLSA-N 1 0 388.300 2.939 20 0 GFADRO COc1cc[nH+]c(N2CCN(C(=O)c3cc(O)cc(Br)c3)CC2)c1 ZINC000528430578 564784337 /nfs/dbraw/zinc/78/43/37/564784337.db2.gz GIKKYNPJTDJGRV-UHFFFAOYSA-N 1 0 392.253 2.521 20 0 GFADRO C[NH+](C)CCOC1CCN(C(=O)NCc2ccsc2Br)CC1 ZINC000555195082 564785509 /nfs/dbraw/zinc/78/55/09/564785509.db2.gz ONPFRJRAUUTGTJ-UHFFFAOYSA-N 1 0 390.347 2.763 20 0 GFADRO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000461038872 564788330 /nfs/dbraw/zinc/78/83/30/564788330.db2.gz SFRXVUBTMRLDTO-KGLIPLIRSA-N 1 0 396.329 2.647 20 0 GFADRO CCCOc1ccc(Br)cc1CN1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000491204798 564788929 /nfs/dbraw/zinc/78/89/29/564788929.db2.gz DUDPDDRYSGOQEZ-QGZVFWFLSA-N 1 0 382.346 2.717 20 0 GFADRO C[C@@]1(Br)C[C@H]1C(=O)Nc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000528543511 564792381 /nfs/dbraw/zinc/79/23/81/564792381.db2.gz ZVKMFZLQOYLJGF-MAUKXSAKSA-N 1 0 394.313 2.624 20 0 GFADRO C[N@@H+]1CCC[C@@]2(CCN(S(=O)(=O)c3ccc(OC(F)(F)F)cc3)C2)C1 ZINC000555406303 564792524 /nfs/dbraw/zinc/79/25/24/564792524.db2.gz RENMLULODKWJSG-OAHLLOKOSA-N 1 0 378.416 2.692 20 0 GFADRO O=S(=O)(Cc1cccc(Br)c1)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000528554344 564793889 /nfs/dbraw/zinc/79/38/89/564793889.db2.gz UAFQATYQFQRTBH-MRXNPFEDSA-N 1 0 387.343 2.885 20 0 GFADRO O=C(CC[NH2+]C[C@@H](O)COc1ccc(Br)cc1)N1CCCCCC1 ZINC000581246486 564794714 /nfs/dbraw/zinc/79/47/14/564794714.db2.gz XQQPSKSGXAOBIQ-MRXNPFEDSA-N 1 0 399.329 2.571 20 0 GFADRO CC[C@H](C(=O)N1CCNC(=O)[C@H]1c1cccc(Br)c1)[NH+](CC)CC ZINC000461490275 564798413 /nfs/dbraw/zinc/79/84/13/564798413.db2.gz LIMZMPBZJVLZSS-HZPDHXFCSA-N 1 0 396.329 2.569 20 0 GFADRO COCCO[C@@H]1COCC[C@H]1[NH2+][C@H]1CCc2cccc(Br)c2C1 ZINC000555577791 564798416 /nfs/dbraw/zinc/79/84/16/564798416.db2.gz SJXUJQIWVCLXMM-BMGDILEWSA-N 1 0 384.314 2.717 20 0 GFADRO CCC[N@H+](CC)C[C@H](C)NC(=O)CCNC(=O)c1ccc(Br)cc1 ZINC000461547603 564799495 /nfs/dbraw/zinc/79/94/95/564799495.db2.gz ZLVRQLCRBTXUGR-AWEZNQCLSA-N 1 0 398.345 2.806 20 0 GFADRO C[N@H+](C[C@H](O)CN1CCC[C@H]1C(=O)Nc1cc(Cl)cc(Cl)c1)C1CC1 ZINC000581398622 564800803 /nfs/dbraw/zinc/80/08/03/564800803.db2.gz YNLAGGDFPJZOGK-IRXDYDNUSA-N 1 0 386.323 2.851 20 0 GFADRO C[C@H]1C[C@@H](NC(=O)C(=O)Nc2cccc(Br)c2Cl)CC[N@@H+]1C ZINC000581434628 564802222 /nfs/dbraw/zinc/80/22/22/564802222.db2.gz GOZOQBDJXDBSNQ-UWVGGRQHSA-N 1 0 388.693 2.640 20 0 GFADRO COC(=O)C[C@H](NC(=O)C[N@H+](C)[C@H]1CCSC1)c1ccc(Cl)c(F)c1 ZINC000492851920 564804133 /nfs/dbraw/zinc/80/41/33/564804133.db2.gz VGUPUKIOQULRJH-WFASDCNBSA-N 1 0 388.892 2.637 20 0 GFADRO O[C@@H](C[NH2+]C[C@H]1COc2ccccc2O1)COc1ccc(Br)cc1 ZINC000555888793 564807708 /nfs/dbraw/zinc/80/77/08/564807708.db2.gz AWXXUMBQPFDRRD-HOCLYGCPSA-N 1 0 394.265 2.618 20 0 GFADRO Cc1cccc(CC(=O)Nc2ccc(=O)n(CC[NH+](C)C)c2)c1Br ZINC000528900682 564808885 /nfs/dbraw/zinc/80/88/85/564808885.db2.gz NXNIAXQFRWLMFA-UHFFFAOYSA-N 1 0 392.297 2.662 20 0 GFADRO C[C@H]([NH2+][C@H]1CCC[C@@]1(C)CO)C(=O)N(C)Cc1ccc(Br)cc1 ZINC000493657984 564809494 /nfs/dbraw/zinc/80/94/94/564809494.db2.gz NPWYWPCFOCWQET-OWQGQXMQSA-N 1 0 383.330 2.937 20 0 GFADRO CC[NH+](CC)[C@H](CNC(=O)C(=O)N1CCS[C@@H](C)[C@H]1C)c1ccsc1 ZINC000556058807 564811585 /nfs/dbraw/zinc/81/15/85/564811585.db2.gz DTLUFSGDXAKBJE-IJEWVQPXSA-N 1 0 383.583 2.600 20 0 GFADRO O=S(=O)(Cc1cc(Cl)ccc1Br)NCCN1CC=CCC1 ZINC000581664292 564813002 /nfs/dbraw/zinc/81/30/02/564813002.db2.gz HJDBVHQERMZDNC-UHFFFAOYSA-N 1 0 393.734 2.784 20 0 GFADRO C[C@@H]1C[C@@H](NS(=O)(=O)c2cccc(Cl)c2Br)CC[N@@H+]1C ZINC000493899625 564813128 /nfs/dbraw/zinc/81/31/28/564813128.db2.gz GDLPNTDYXFYXRU-ZJUUUORDSA-N 1 0 381.723 2.864 20 0 GFADRO COCCO[C@@H]1COCC[C@H]1[NH2+][C@@H]1CCc2sc(Br)cc21 ZINC000556179677 564814371 /nfs/dbraw/zinc/81/43/71/564814371.db2.gz VUZRCHHPNWKNCE-JHJVBQTASA-N 1 0 376.316 2.908 20 0 GFADRO C[C@@H](C[NH+]1CCCCC1)NS(=O)(=O)CCc1ccccc1Br ZINC000462068208 564814970 /nfs/dbraw/zinc/81/49/70/564814970.db2.gz RZNIHLITJOWRAY-AWEZNQCLSA-N 1 0 389.359 2.785 20 0 GFADRO C[C@H](CCc1ccc(I)cc1)[NH2+]C[C@H]1CC[C@@H](CO)O1 ZINC000556217269 564815356 /nfs/dbraw/zinc/81/53/56/564815356.db2.gz ZGRQVIHRFFDMKT-WQVCFCJDSA-N 1 0 389.277 2.742 20 0 GFADRO CC(C)[N@@H+]1CCC[C@@H](NS(=O)(=O)CCc2ccccc2Br)C1 ZINC000462072488 564815845 /nfs/dbraw/zinc/81/58/45/564815845.db2.gz FGYHWBQVUQZLDW-OAHLLOKOSA-N 1 0 389.359 2.784 20 0 GFADRO CN1CCC[C@H]1C[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000581721711 564816231 /nfs/dbraw/zinc/81/62/31/564816231.db2.gz MFMSVWQSBBTIOR-QWHCGFSZSA-N 1 0 377.710 2.526 20 0 GFADRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+][C@H]2CCOC3(CCSCC3)C2)cc1 ZINC000581742890 564816718 /nfs/dbraw/zinc/81/67/18/564816718.db2.gz VPZVSDGRJMKZDR-HOCLYGCPSA-N 1 0 384.567 2.690 20 0 GFADRO CC(C)[N@H+](C)CCNC(=O)[C@H](c1ccc(Cl)cc1Cl)N1CCOCC1 ZINC000462090198 564817904 /nfs/dbraw/zinc/81/79/04/564817904.db2.gz DDCCJZHJOVCBHR-KRWDZBQOSA-N 1 0 388.339 2.823 20 0 GFADRO O=C(NCCOc1ccc(Br)cc1)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000581776851 564818099 /nfs/dbraw/zinc/81/80/99/564818099.db2.gz YKSQHMHDOGSTBD-HUUCEWRRSA-N 1 0 396.329 2.859 20 0 GFADRO COc1ccc(Br)c(CN(C)C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000581874496 564820715 /nfs/dbraw/zinc/82/07/15/564820715.db2.gz XUODXXYFQTZOFW-GZBFAFLISA-N 1 0 396.329 2.987 20 0 GFADRO Cc1cccc(CNC(=O)[C@]2([NH3+])[C@H]3CCCO[C@@H]3C2(C)C)c1Br ZINC000582001909 564826652 /nfs/dbraw/zinc/82/66/52/564826652.db2.gz SCNFHNYBAWFQAZ-DHSIGJKJSA-N 1 0 381.314 2.906 20 0 GFADRO Cn1nccc1[C@@H]1CCC[C@@H]([NH2+]CCn2cc(Br)ccc2=O)C1 ZINC000556454303 564827014 /nfs/dbraw/zinc/82/70/14/564827014.db2.gz WAIVLBGNWDCGLA-UKRRQHHQSA-N 1 0 379.302 2.660 20 0 GFADRO [NH3+]CCC1CCN(C(=O)N[C@@H]2CCN(c3cccc(Br)c3)C2)CC1 ZINC000582067685 564829085 /nfs/dbraw/zinc/82/90/85/564829085.db2.gz DUGHNTWUGPZDQZ-MRXNPFEDSA-N 1 0 395.345 2.798 20 0 GFADRO CCc1nn(C)c(OC)c1C[NH2+]C[C@@H](O)COc1cc(Cl)ccc1Cl ZINC000582058278 564829146 /nfs/dbraw/zinc/82/91/46/564829146.db2.gz VMDCHYUFYDLHTQ-GFCCVEGCSA-N 1 0 388.295 2.827 20 0 GFADRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)Nc1ccncc1Br ZINC000462274230 564830157 /nfs/dbraw/zinc/83/01/57/564830157.db2.gz YIQZKIYKTZNDGT-SUMWQHHRSA-N 1 0 389.297 2.908 20 0 GFADRO O=C(N[C@H]1CC[NH2+]C12CCC2)N1CCc2cc(Br)cc(F)c2C1 ZINC000529349870 564830475 /nfs/dbraw/zinc/83/04/75/564830475.db2.gz AJPCLWRLQDPCCR-HNNXBMFYSA-N 1 0 382.277 2.941 20 0 GFADRO COC(=O)c1cn(CC[NH2+][C@H]2CCCOc3c(Cl)c(Cl)ccc32)nn1 ZINC000556605836 564832084 /nfs/dbraw/zinc/83/20/84/564832084.db2.gz KDZKWTKNQKPFEX-LBPRGKRZSA-N 1 0 385.251 2.875 20 0 GFADRO C[C@H](NC(=O)N1CCC[C@@H]1C[NH+]1CCCCC1)c1ncc(Br)cn1 ZINC000582166905 564833001 /nfs/dbraw/zinc/83/30/01/564833001.db2.gz QYTRNAXAAFZSJB-DZGCQCFKSA-N 1 0 396.333 2.960 20 0 GFADRO O=C(c1sc2ncccc2c1Cl)N1CCC[C@H](C[N@H+]2CC[C@H](O)C2)C1 ZINC000529398222 564833941 /nfs/dbraw/zinc/83/39/41/564833941.db2.gz JDWITITZAYGWFT-OLZOCXBDSA-N 1 0 379.913 2.869 20 0 GFADRO CC[NH+]1CCC(CCNS(=O)(=O)c2cccc(OC(F)(F)F)c2)CC1 ZINC000462419968 564838786 /nfs/dbraw/zinc/83/87/86/564838786.db2.gz UJRLWKMYYLUDNN-UHFFFAOYSA-N 1 0 380.432 2.986 20 0 GFADRO CC[NH+]1CCN([C@H]2CCN(Cc3ncc(Cl)cc3Br)C2)CC1 ZINC000529527441 564839490 /nfs/dbraw/zinc/83/94/90/564839490.db2.gz CNUATGHYNFRJDW-AWEZNQCLSA-N 1 0 387.753 2.709 20 0 GFADRO C[N@@H+]1CCC[C@@H](N2CCN(Cc3ncc(Cl)cc3Br)CC2)C1 ZINC000529529119 564839543 /nfs/dbraw/zinc/83/95/43/564839543.db2.gz ZEVLLFDXLUTUAZ-CQSZACIVSA-N 1 0 387.753 2.709 20 0 GFADRO Cc1nc2ccc(C[NH2+]Cc3ccc(S(=O)(=O)CCO)cc3)cc2s1 ZINC000494849374 564841973 /nfs/dbraw/zinc/84/19/73/564841973.db2.gz FTXFLMNHIVPXPQ-UHFFFAOYSA-N 1 0 376.503 2.661 20 0 GFADRO CN(C)CC[N@H+](C)CCCN(C)C(=O)c1[nH]c2ccccc2c1Br ZINC000494836372 564842035 /nfs/dbraw/zinc/84/20/35/564842035.db2.gz JBFDRZAHOBNVOX-UHFFFAOYSA-N 1 0 395.345 2.886 20 0 GFADRO O=C(NC[C@@H]1C[NH2+]CCCO1)Nc1ccc(Cl)cc1OCC(F)(F)F ZINC000582348190 564842858 /nfs/dbraw/zinc/84/28/58/564842858.db2.gz RGMVFBILUHVQSG-NSHDSACASA-N 1 0 381.782 2.781 20 0 GFADRO COC(=O)c1cc(S(=O)(=O)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)cs1 ZINC000462535710 564846240 /nfs/dbraw/zinc/84/62/40/564846240.db2.gz PPJCMZBHORMZQJ-OKILXGFUSA-N 1 0 388.555 2.571 20 0 GFADRO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N(C)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000462539166 564846317 /nfs/dbraw/zinc/84/63/17/564846317.db2.gz QJEIZTNZFOQCKM-IUODEOHRSA-N 1 0 387.933 2.539 20 0 GFADRO O=S(=O)(c1cc(F)c(F)c(F)c1)N1CCN(CCc2cccs2)CC1 ZINC000462553139 564847530 /nfs/dbraw/zinc/84/75/30/564847530.db2.gz RNGQAKDACMHWLV-UHFFFAOYSA-N 1 0 390.452 2.714 20 0 GFADRO Cc1nc(-c2ccc(S(=O)(=O)N3CCC[C@H]4C[N@@H+](C)C[C@H]43)s2)cs1 ZINC000582483019 564848383 /nfs/dbraw/zinc/84/83/83/564848383.db2.gz UKVJVDSZBGUZTE-GXTWGEPZSA-N 1 0 383.564 2.895 20 0 GFADRO O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1cc(Br)ccc1OCc1ccccc1 ZINC000495157657 564850037 /nfs/dbraw/zinc/85/00/37/564850037.db2.gz KSCPKWXWORDUGD-VQFNDLOPSA-N 1 0 387.277 2.976 20 0 GFADRO CC[NH+]1CCC(CNS(=O)(=O)c2cc(Br)c(F)cc2F)CC1 ZINC000582523762 564850449 /nfs/dbraw/zinc/85/04/49/564850449.db2.gz MGNUKTZZZLIPCG-UHFFFAOYSA-N 1 0 397.285 2.738 20 0 GFADRO Brc1ccccc1-n1cc(CNCC[NH+]2CCCCCC2)nn1 ZINC000582515917 564850513 /nfs/dbraw/zinc/85/05/13/564850513.db2.gz NVVKMHAXJHBPEA-UHFFFAOYSA-N 1 0 378.318 2.995 20 0 GFADRO CCOc1cc(C[NH2+][C@H]2CC(=O)N3CCCC[C@H]23)cc(Br)c1O ZINC000582591707 564853663 /nfs/dbraw/zinc/85/36/63/564853663.db2.gz GHKYGEXQBFEMAY-UONOGXRCSA-N 1 0 383.286 2.796 20 0 GFADRO CS[C@@H]1CN(C(=O)c2c(F)cc(Br)cc2F)C[C@H]1[NH+](C)C ZINC000495696466 564855352 /nfs/dbraw/zinc/85/53/52/564855352.db2.gz LEPIKVMDUHENNE-VXGBXAGGSA-N 1 0 379.270 2.845 20 0 GFADRO CS[C@@H]1CN(C(=O)[C@H](C)Sc2ccc(NC(C)=O)cc2)C[C@H]1[NH+](C)C ZINC000495591947 564855746 /nfs/dbraw/zinc/85/57/46/564855746.db2.gz BSFLRCHNXJXYPJ-JCURWCKSSA-N 1 0 381.567 2.630 20 0 GFADRO CS[C@H]1CN(C(=O)c2ccccc2OCc2cscn2)C[C@H]1[NH+](C)C ZINC000495635099 564855750 /nfs/dbraw/zinc/85/57/50/564855750.db2.gz ITKUXCFHJGVRIF-WBVHZDCISA-N 1 0 377.535 2.840 20 0 GFADRO CS[C@H]1CN(C(=O)Cc2csc(Cc3ccccc3)n2)C[C@H]1[NH+](C)C ZINC000495638730 564855934 /nfs/dbraw/zinc/85/59/34/564855934.db2.gz SARCNMRDPBZBSF-SJORKVTESA-N 1 0 375.563 2.780 20 0 GFADRO O=C(COc1ccc(F)cc1Br)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000495595733 564855976 /nfs/dbraw/zinc/85/59/76/564855976.db2.gz XVEJZBOVWQCPTI-HNNXBMFYSA-N 1 0 385.277 2.958 20 0 GFADRO CC1([NH+]2CCOCC2)CCN(C(=O)c2cc(F)ccc2Br)CC1 ZINC000529912488 564856210 /nfs/dbraw/zinc/85/62/10/564856210.db2.gz PYLCJROAHMEHTO-UHFFFAOYSA-N 1 0 385.277 2.915 20 0 GFADRO CS[C@@H]1CN(C(=O)Cc2cccc(OCC(F)(F)F)c2)C[C@H]1[NH+](C)C ZINC000495725347 564856731 /nfs/dbraw/zinc/85/67/31/564856731.db2.gz BLSQFLLZRLJNCZ-HUUCEWRRSA-N 1 0 376.444 2.674 20 0 GFADRO CC1([NH+]2CCOCC2)CCN(C(=O)c2cc(F)cc(Br)c2)CC1 ZINC000529913696 564857060 /nfs/dbraw/zinc/85/70/60/564857060.db2.gz LCHSEQVAOVGYOZ-UHFFFAOYSA-N 1 0 385.277 2.915 20 0 GFADRO COCCNS(=O)(=O)c1cccc(C[NH2+][C@@H](C)CCc2ccsc2)c1 ZINC000462785150 564858023 /nfs/dbraw/zinc/85/80/23/564858023.db2.gz NCMFZQPDIRAXQX-HNNXBMFYSA-N 1 0 382.551 2.784 20 0 GFADRO CC[NH+]1CCN(CC(=O)Nc2cccc3cc(Br)cnc32)CC1 ZINC000557417739 564862838 /nfs/dbraw/zinc/86/28/38/564862838.db2.gz LDWHCKDLLQKLDA-UHFFFAOYSA-N 1 0 377.286 2.573 20 0 GFADRO CC[N@@H+]1CCN(C(=O)c2ccc(-n3cc(Br)cn3)cc2)[C@H](C)C1 ZINC000557525513 564866528 /nfs/dbraw/zinc/86/65/28/564866528.db2.gz KAOJJJWFCWOBKU-CYBMUJFWSA-N 1 0 377.286 2.801 20 0 GFADRO O=C(Nc1cnn(-c2ncc(Cl)cc2Cl)c1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000582952216 564868994 /nfs/dbraw/zinc/86/89/94/564868994.db2.gz IGIAXGALNMPFHR-QMTHXVAHSA-N 1 0 381.267 2.790 20 0 GFADRO Brc1ccc2nc(C[N@@H+]3CCC[C@@H]3CN3CCOCC3)oc2c1 ZINC000463097143 564870060 /nfs/dbraw/zinc/87/00/60/564870060.db2.gz WQCSGQFKLSWPNP-CQSZACIVSA-N 1 0 380.286 2.887 20 0 GFADRO CC[N@@H+]1CCN(c2ncnc3ccc(I)cc32)[C@@H](C)C1 ZINC000582956267 564870083 /nfs/dbraw/zinc/87/00/83/564870083.db2.gz UBJAFOHQMHBZQA-NSHDSACASA-N 1 0 382.249 2.765 20 0 GFADRO CC[NH+](CC)CCCNC(=O)NCc1cc(Br)cc2c1OCC2 ZINC000463158134 564870548 /nfs/dbraw/zinc/87/05/48/564870548.db2.gz CJRJXUDDPGIWBC-UHFFFAOYSA-N 1 0 384.318 2.915 20 0 GFADRO Cc1nc(NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)ccc1I ZINC000463146024 564870628 /nfs/dbraw/zinc/87/06/28/564870628.db2.gz SANNMIPLJGCOHE-UHTWSYAYSA-N 1 0 385.249 2.854 20 0 GFADRO Cc1cc(CNC(=O)NCCC[NH2+]C(C)C)ccc1I ZINC000583014257 564872385 /nfs/dbraw/zinc/87/23/85/564872385.db2.gz NDLRBZCTZRCDAU-UHFFFAOYSA-N 1 0 389.281 2.787 20 0 GFADRO [NH3+]C[C@@H]1CN(Cc2ccc(Br)c(F)c2F)CC12CCOCC2 ZINC000530220065 564873314 /nfs/dbraw/zinc/87/33/14/564873314.db2.gz IGJAAGPHRAAUOG-GFCCVEGCSA-N 1 0 375.257 2.915 20 0 GFADRO CC(C)[N@H+](CC(=O)N(C)Cc1cc(Br)cs1)[C@@H]1CCOC1 ZINC000463238705 564873655 /nfs/dbraw/zinc/87/36/55/564873655.db2.gz QEUFZLZCLGXCRF-CYBMUJFWSA-N 1 0 375.332 2.968 20 0 GFADRO OC[C@@H](C[NH2+]C1CCN(CC(F)F)CC1)Cc1cccc(Br)c1 ZINC000463238029 564873851 /nfs/dbraw/zinc/87/38/51/564873851.db2.gz SYDKHWATUXJHKO-CQSZACIVSA-N 1 0 391.300 2.919 20 0 GFADRO OC[C@@H](C[NH2+]C1CCN(CC(F)F)CC1)Cc1ccc(Br)cc1 ZINC000463250501 564873982 /nfs/dbraw/zinc/87/39/82/564873982.db2.gz MHWGGDYRDFZGSH-CQSZACIVSA-N 1 0 391.300 2.919 20 0 GFADRO CC(C)[C@H]([NH2+][C@@H](C)C(=O)N(C)[C@H]1CCS(=O)(=O)C1)c1ccc(Cl)cc1 ZINC000557756408 564874873 /nfs/dbraw/zinc/87/48/73/564874873.db2.gz HTRKXJUELOLBIL-JQFCIGGWSA-N 1 0 386.945 2.661 20 0 GFADRO C[C@@H]([NH2+]CC(=O)N(C)CC1CC1)c1ccc(Br)cc1OCCCO ZINC000463368415 564877359 /nfs/dbraw/zinc/87/73/59/564877359.db2.gz NALSWGDBQJRYRN-CYBMUJFWSA-N 1 0 399.329 2.729 20 0 GFADRO CC[NH+]1CCC(N(C)C(=O)c2cc(Br)c3c(c2)OCCO3)CC1 ZINC000497860640 564878674 /nfs/dbraw/zinc/87/86/74/564878674.db2.gz PWLPFHJCXUAHCY-UHFFFAOYSA-N 1 0 383.286 2.777 20 0 GFADRO O=C(C[NH2+][C@@H]1CCCC[C@@H]1N1CCOCC1)Nc1ccc(Br)cc1 ZINC000530419669 564880305 /nfs/dbraw/zinc/88/03/05/564880305.db2.gz LBXAKVJNSWKHRG-SJORKVTESA-N 1 0 396.329 2.621 20 0 GFADRO CC[N@H+](C[C@@H](O)COc1ccc(Cl)cc1Br)[C@H]1CCOC1 ZINC000463455289 564881415 /nfs/dbraw/zinc/88/14/15/564881415.db2.gz LPMREHFVZASXHC-QWHCGFSZSA-N 1 0 378.694 2.953 20 0 GFADRO Cc1ncc2n1C[C@@H](C(=O)N[C@@H](CCO)c1ccccc1Br)CC2 ZINC000583269543 564883152 /nfs/dbraw/zinc/88/31/52/564883152.db2.gz XIWLYNNPIQJRMW-GUYCJALGSA-N 1 0 392.297 2.756 20 0 GFADRO CC[NH+](CC)CCNS(=O)(=O)Cc1cc(Cl)ccc1Br ZINC000583378583 564889153 /nfs/dbraw/zinc/88/91/53/564889153.db2.gz ZUZSLVOECMOKJY-UHFFFAOYSA-N 1 0 383.739 2.864 20 0 GFADRO C[C@@H](C[NH+](C)C)NC(=O)c1cccc(NC(=O)c2ccc(Br)o2)c1 ZINC000558029783 564889129 /nfs/dbraw/zinc/88/91/29/564889129.db2.gz DHTSTILUYVTVQH-NSHDSACASA-N 1 0 394.269 2.974 20 0 GFADRO O=C(Nc1cc(Cl)c(Cl)cc1Cl)C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000583434865 564891044 /nfs/dbraw/zinc/89/10/44/564891044.db2.gz IMQUKNKTLABLNB-UHFFFAOYSA-N 1 0 376.671 2.940 20 0 GFADRO C[C@@]1([NH3+])CCCC[C@@H]1C(=O)NCCCNC(=O)c1ccc(Br)cc1 ZINC000498207141 564891610 /nfs/dbraw/zinc/89/16/10/564891610.db2.gz ALRNXGWIQUMHKL-CRAIPNDOSA-N 1 0 396.329 2.593 20 0 GFADRO C[C@@H](NC(=O)[C@@H]([NH3+])CC(F)F)c1nc(-c2ccc(Br)cc2)no1 ZINC000498200478 564891631 /nfs/dbraw/zinc/89/16/31/564891631.db2.gz JGDZRZRDWAUASU-XCBNKYQSSA-N 1 0 389.200 2.659 20 0 GFADRO CN(C)S(=O)(=O)c1ccc(C[NH2+][C@H](CCO)c2ccc(Cl)cc2)cc1 ZINC000558142968 564893626 /nfs/dbraw/zinc/89/36/26/564893626.db2.gz LDGQPJVXCLGXLN-GOSISDBHSA-N 1 0 382.913 2.804 20 0 GFADRO C[C@H](C[NH2+]C1(c2cccc(C(F)(F)F)c2)CCOCC1)CS(C)(=O)=O ZINC000583479941 564893730 /nfs/dbraw/zinc/89/37/30/564893730.db2.gz QYADJXAHIFAFLB-CYBMUJFWSA-N 1 0 379.444 2.981 20 0 GFADRO CC(=O)NCC[C@H]1CCC[N@H+](C[C@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000558156079 564894389 /nfs/dbraw/zinc/89/43/89/564894389.db2.gz UNSJXAVKOZNCJG-CABCVRRESA-N 1 0 389.323 2.971 20 0 GFADRO CNC(=O)[C@H]1CCC[C@H]1[NH2+]Cc1cn(-c2ccc(Br)cc2)nc1C ZINC000498349943 564896974 /nfs/dbraw/zinc/89/69/74/564896974.db2.gz NIVYLSOMYOUHFS-DLBZAZTESA-N 1 0 391.313 2.948 20 0 GFADRO CC(C)(C(=O)N1C[C@@H](C[NH3+])C2(C1)CCOCC2)c1ccc(Br)cc1 ZINC000583564071 564897585 /nfs/dbraw/zinc/89/75/85/564897585.db2.gz XLDVMPUCDRQPGT-OAHLLOKOSA-N 1 0 395.341 2.941 20 0 GFADRO Cc1csc(C(=O)Nc2ccc(N3CC[NH2+]CC3)cn2)c1Br ZINC000583559352 564897638 /nfs/dbraw/zinc/89/76/38/564897638.db2.gz GIGWYWNSRHRCPM-UHFFFAOYSA-N 1 0 381.299 2.876 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)c1nc2ccc(Br)cn2n1)c1cccs1 ZINC000558335051 564897998 /nfs/dbraw/zinc/89/79/98/564897998.db2.gz CTWBJNPETUYWBH-NSHDSACASA-N 1 0 394.298 2.586 20 0 GFADRO Brc1ccc2ncnc(N3CC[NH+](C4CCOCC4)CC3)c2c1 ZINC000531108316 564901660 /nfs/dbraw/zinc/90/16/60/564901660.db2.gz UJYOIUFYCNZCPW-UHFFFAOYSA-N 1 0 377.286 2.693 20 0 GFADRO CC[N@@H+]1C[C@@H](C)N(C(=O)c2ccc(I)c(F)c2)C[C@H]1C ZINC000498556748 564902051 /nfs/dbraw/zinc/90/20/51/564902051.db2.gz RDGUPMZWBKFSBY-GHMZBOCLSA-N 1 0 390.240 2.985 20 0 GFADRO Cc1cccc(OC[C@H](O)C[NH2+]Cc2cn3ccc(Br)cc3n2)c1 ZINC000558482814 564903604 /nfs/dbraw/zinc/90/36/04/564903604.db2.gz NJBWBIXGSLJYJA-MRXNPFEDSA-N 1 0 390.281 2.935 20 0 GFADRO COC[C@H]([NH2+]CCN(C)S(=O)(=O)c1cccs1)c1cccc(Cl)c1 ZINC000558493737 564904446 /nfs/dbraw/zinc/90/44/46/564904446.db2.gz UKIWDDDFAPPZFQ-HNNXBMFYSA-N 1 0 388.942 2.999 20 0 GFADRO CC[NH+](CC)C[C@H](C)NC(=O)[C@@H]1CSCN1C(=O)c1ccc(Cl)cc1 ZINC000498646515 564904636 /nfs/dbraw/zinc/90/46/36/564904636.db2.gz NEVHOLRKQYCCAG-BBRMVZONSA-N 1 0 383.945 2.702 20 0 GFADRO CCC[N@H+](CC)C[C@@H](C)NC(=O)C(=O)Nc1ccc(C)cc1Br ZINC000558543707 564905580 /nfs/dbraw/zinc/90/55/80/564905580.db2.gz OAWMPCUFWIUQMB-CYBMUJFWSA-N 1 0 384.318 2.933 20 0 GFADRO O=C(NCc1csc(Br)c1)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000531290875 564906322 /nfs/dbraw/zinc/90/63/22/564906322.db2.gz ZCKPPQLACWZFGB-QGZVFWFLSA-N 1 0 395.322 2.764 20 0 GFADRO CN(C)S(=O)(=O)N1CCC[C@@H]([NH2+][C@H]2CC[C@H](c3ccc(Cl)cc3)C2)C1 ZINC000583793121 564907810 /nfs/dbraw/zinc/90/78/10/564907810.db2.gz XIPXISASDAAUIA-RYQLBKOJSA-N 1 0 385.961 2.837 20 0 GFADRO Cc1cc(CS(=O)(=O)NC[C@H](c2cccs2)[NH+]2CCC(C)CC2)on1 ZINC000531382981 564908386 /nfs/dbraw/zinc/90/83/86/564908386.db2.gz QYINBLGAODOOKA-MRXNPFEDSA-N 1 0 383.539 2.937 20 0 GFADRO C[NH+]1CCN(c2cc(C(=O)N[C@@H]3CCc4sc(Cl)cc43)ccn2)CC1 ZINC000558613484 564908805 /nfs/dbraw/zinc/90/88/05/564908805.db2.gz WYKSWPSEHBRSPG-CQSZACIVSA-N 1 0 376.913 2.966 20 0 GFADRO C[NH+](C)CCN(Cc1cccs1)C(=O)NCc1n[nH]cc1Br ZINC000531468067 564910283 /nfs/dbraw/zinc/91/02/83/564910283.db2.gz FRRCKCGTJKRNGV-UHFFFAOYSA-N 1 0 386.319 2.507 20 0 GFADRO COC(=O)C[C@]1([NH2+]Cc2cc(Br)ccc2OC(F)F)CCOC1 ZINC000464572281 564910969 /nfs/dbraw/zinc/91/09/69/564910969.db2.gz RELSKVVMENZMGM-OAHLLOKOSA-N 1 0 394.212 2.862 20 0 GFADRO NC(=O)c1ccc(CNCc2nc(-c3cccc(Br)c3)c[nH]2)cn1 ZINC000531487108 564911593 /nfs/dbraw/zinc/91/15/93/564911593.db2.gz UFCGBRJNUXFUCE-UHFFFAOYSA-N 1 0 386.253 2.623 20 0 GFADRO CC(=O)N[C@@H](CC(=O)N[C@@H](C)C[N@@H+](C)C(C)C)c1ccc(Br)cc1 ZINC000583904791 564912017 /nfs/dbraw/zinc/91/20/17/564912017.db2.gz MXMMJFUXSKWXAJ-GUYCJALGSA-N 1 0 398.345 2.861 20 0 GFADRO C[C@@]1(CNC(=O)N2CCO[C@@H](c3ccc(Br)cc3)C2)CCC[NH2+]C1 ZINC000583921578 564912288 /nfs/dbraw/zinc/91/22/88/564912288.db2.gz OXMSDLZJGANBAB-SJLPKXTDSA-N 1 0 396.329 2.922 20 0 GFADRO C[C@@H](O)CC(C)(C)C[NH2+]C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000583929502 564913381 /nfs/dbraw/zinc/91/33/81/564913381.db2.gz NOCMMCQKYBCFKR-RISCZKNCSA-N 1 0 378.282 2.715 20 0 GFADRO C[N@@H+]1CCC[C@@H](CNC(=O)c2cc(I)ccc2F)C1 ZINC000531629157 564916133 /nfs/dbraw/zinc/91/61/33/564916133.db2.gz UBZPNUTUONFJOY-JTQLQIEISA-N 1 0 376.213 2.502 20 0 GFADRO Cc1cccc2ncc(C[NH2+]C[C@H](O)COc3ccccc3Br)n21 ZINC000531702068 564918332 /nfs/dbraw/zinc/91/83/32/564918332.db2.gz SPOCQEHMLYFTEG-HNNXBMFYSA-N 1 0 390.281 2.935 20 0 GFADRO CSc1ccc([C@H](CNc2cnn(C)c(=O)c2Br)[NH+](C)C)cc1 ZINC000559002149 564920654 /nfs/dbraw/zinc/92/06/54/564920654.db2.gz LTXFNCDWAJZLSX-AWEZNQCLSA-N 1 0 397.342 2.980 20 0 GFADRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000499217053 564921111 /nfs/dbraw/zinc/92/11/11/564921111.db2.gz ULDIEBGLHQEKRU-ZDUSSCGKSA-N 1 0 388.295 2.501 20 0 GFADRO CN(C)c1ncc(Br)cc1C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000499386812 564925484 /nfs/dbraw/zinc/92/54/84/564925484.db2.gz ZHLDBVAKYSLAEQ-UHFFFAOYSA-N 1 0 381.318 2.611 20 0 GFADRO C[C@H]1CN(CCNC(=O)c2ccc(Br)c(C(F)(F)F)c2)CCO1 ZINC000532023374 564927221 /nfs/dbraw/zinc/92/72/21/564927221.db2.gz LHUAAOKTVWZDIB-JTQLQIEISA-N 1 0 395.219 2.918 20 0 GFADRO CC[NH+]1CCC(NC(=O)NC[C@H](C)Oc2cccc(Br)c2)CC1 ZINC000465437379 564928210 /nfs/dbraw/zinc/92/82/10/564928210.db2.gz WEQLFBVIUPJVJA-ZDUSSCGKSA-N 1 0 384.318 3.000 20 0 GFADRO CC[NH+](CC)CC[C@@H](CO)NC(=O)Nc1c(F)cc(F)cc1Br ZINC000499510459 564930058 /nfs/dbraw/zinc/93/00/58/564930058.db2.gz VTDVVCILACKCCR-NSHDSACASA-N 1 0 394.260 2.942 20 0 GFADRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)c2cc(I)ccc2F)C1 ZINC000532144742 564930834 /nfs/dbraw/zinc/93/08/34/564930834.db2.gz XKRQRFWIHAXYDR-NSHDSACASA-N 1 0 390.240 2.890 20 0 GFADRO COCC[N@H+](C)CCCNC(=O)N[C@H]1COc2c1ccc(Cl)c2Cl ZINC000465703516 564931146 /nfs/dbraw/zinc/93/11/46/564931146.db2.gz ZSSLFKPJQWKOFW-ZDUSSCGKSA-N 1 0 376.284 2.694 20 0 GFADRO O=C(NCC[C@H](O)C(F)(F)F)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000499613884 564931858 /nfs/dbraw/zinc/93/18/58/564931858.db2.gz FGMNGABJQHGRDZ-OCCSQVGLSA-N 1 0 379.448 2.573 20 0 GFADRO CC(=O)NCCC[NH2+][C@@H](C)c1nnn(-c2cccc(Br)c2)c1C ZINC000532198949 564932475 /nfs/dbraw/zinc/93/24/75/564932475.db2.gz ZRIIPQXPGRESIW-NSHDSACASA-N 1 0 380.290 2.515 20 0 GFADRO C[C@H](CNC(=O)C(=O)NCc1cccc(Cl)c1Cl)[NH+]1CCC(C)CC1 ZINC000559631874 564937505 /nfs/dbraw/zinc/93/75/05/564937505.db2.gz OYTYBIWORZMEAJ-CYBMUJFWSA-N 1 0 386.323 2.846 20 0 GFADRO O=S(=O)(NCCC[NH2+]Cc1cccc2c1OCO2)c1ccccc1Cl ZINC000466381319 564939899 /nfs/dbraw/zinc/93/98/99/564939899.db2.gz GOMFKNGGNQGQLQ-UHFFFAOYSA-N 1 0 382.869 2.527 20 0 GFADRO COCC(=O)N1CCC([NH2+][C@@H]2CCCOc3ccc(Br)cc32)CC1 ZINC000532510977 564940174 /nfs/dbraw/zinc/94/01/74/564940174.db2.gz ATLPMUNEQZEHQZ-MRXNPFEDSA-N 1 0 397.313 2.890 20 0 GFADRO COc1ccc(Br)c(C(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)c1 ZINC000499920418 564940290 /nfs/dbraw/zinc/94/02/90/564940290.db2.gz KQRSUHHKGMAITC-CQSZACIVSA-N 1 0 385.302 2.641 20 0 GFADRO C[N@@H+]1CC[C@@](O)(CN[C@H](c2ccc(Br)o2)c2ccc(F)cc2)C1 ZINC000559843256 564941318 /nfs/dbraw/zinc/94/13/18/564941318.db2.gz SLLYBPNSTKKRKJ-DLBZAZTESA-N 1 0 383.261 2.927 20 0 GFADRO CCOc1ccc(C[NH2+]CCNS(=O)(=O)c2cccs2)cc1OCC ZINC000532618015 564941596 /nfs/dbraw/zinc/94/15/96/564941596.db2.gz YSDNGECPHQPROS-UHFFFAOYSA-N 1 0 384.523 2.614 20 0 GFADRO C[C@H](CNC(=O)C(=O)NCCc1c(Cl)cccc1Cl)C[NH+]1CCCC1 ZINC000560015802 564944910 /nfs/dbraw/zinc/94/49/10/564944910.db2.gz KNDDFKLWXKIGFC-CYBMUJFWSA-N 1 0 386.323 2.500 20 0 GFADRO C[N@H+](Cc1ccccc1)CC(C)(C)NC(=O)NCc1n[nH]cc1Br ZINC000532841564 564946825 /nfs/dbraw/zinc/94/68/25/564946825.db2.gz PZNJASHDCVQDMS-UHFFFAOYSA-N 1 0 394.317 2.882 20 0 GFADRO Cc1c(Br)cc(CNC[C@]2(O)CC[N@@H+](C)C2)cc1Br ZINC000560080245 564948607 /nfs/dbraw/zinc/94/86/07/564948607.db2.gz KNPHJYKTOLIDKS-CQSZACIVSA-N 1 0 392.135 2.676 20 0 GFADRO O=C1CC[C@H]([NH2+]CC[S@@](=O)c2cc(Cl)ccc2Cl)[C@@H](C2CC2)N1 ZINC000560183946 564952458 /nfs/dbraw/zinc/95/24/58/564952458.db2.gz LEXYZTZSLRZCDI-IBRHDDFTSA-N 1 0 375.321 2.748 20 0 GFADRO O=C1CC[C@H]([NH2+]CC[S@](=O)c2cc(Cl)ccc2Cl)[C@@H](C2CC2)N1 ZINC000560183947 564952753 /nfs/dbraw/zinc/95/27/53/564952753.db2.gz LEXYZTZSLRZCDI-LZDDTZTRSA-N 1 0 375.321 2.748 20 0 GFADRO COc1ccc(CCC(=O)N[C@H]2C[N@@H+](C3CC3)C[C@@H]2C)cc1Br ZINC000467027881 564953344 /nfs/dbraw/zinc/95/33/44/564953344.db2.gz CXWYLWAJZIRQSR-LRDDRELGSA-N 1 0 381.314 2.989 20 0 GFADRO COC(=O)c1ccc(C[NH2+][C@H]2CCC[C@H](C(=O)N(C)C)C2)c(Br)c1 ZINC000560243359 564954246 /nfs/dbraw/zinc/95/42/46/564954246.db2.gz IJDCKYGVIVXOEA-WFASDCNBSA-N 1 0 397.313 2.972 20 0 GFADRO CCOc1cc(C[NH2+][C@@H]2CCC[C@@H]2CNS(C)(=O)=O)cc(Cl)c1OC ZINC000500487589 564955350 /nfs/dbraw/zinc/95/53/50/564955350.db2.gz MUVLNLJJOAJNJY-UKRRQHHQSA-N 1 0 390.933 2.555 20 0 GFADRO Cc1ccc(-c2ncc(C[NH2+][C@@H]3CCC[C@@H]3CNS(C)(=O)=O)s2)cc1 ZINC000500543795 564956895 /nfs/dbraw/zinc/95/68/95/564956895.db2.gz FVJSMHWJTDYGRA-NVXWUHKLSA-N 1 0 379.551 2.926 20 0 GFADRO CO[C@@H]1C[N@H+](C[C@@H](O)COc2cc(F)cc(Br)c2)CC[C@@H]1C ZINC000467288036 564959954 /nfs/dbraw/zinc/95/99/54/564959954.db2.gz LOCIKVSYMKLSBO-SGIREYDYSA-N 1 0 376.266 2.685 20 0 GFADRO Cc1ccc(Br)c(S(=O)(=O)NCC[NH2+][C@H](C)c2ccoc2)c1 ZINC000560575065 564968461 /nfs/dbraw/zinc/96/84/61/564968461.db2.gz LTDRHSKXTOBJRT-GFCCVEGCSA-N 1 0 387.299 2.980 20 0 GFADRO CC[C@@]1(C(=O)N2CCN(Cc3ccc(Br)s3)CC2)CCC[NH2+]1 ZINC000467704384 564970504 /nfs/dbraw/zinc/97/05/04/564970504.db2.gz JLIOBSAWRUIGLO-INIZCTEOSA-N 1 0 386.359 2.687 20 0 GFADRO C[C@@H](NS(=O)(=O)c1cc(Br)c(F)cc1F)C(C)(C)C[NH+](C)C ZINC000467768677 564971798 /nfs/dbraw/zinc/97/17/98/564971798.db2.gz GKBXCTUWLSUMAI-SECBINFHSA-N 1 0 399.301 2.982 20 0 GFADRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)CNC(=O)c1cccc(Br)c1 ZINC000501260046 564975371 /nfs/dbraw/zinc/97/53/71/564975371.db2.gz IVQQQAUODHRMFK-MRXNPFEDSA-N 1 0 396.329 2.560 20 0 GFADRO CS[C@H]1CN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)C[C@@H]1[NH+](C)C ZINC000501416134 564978900 /nfs/dbraw/zinc/97/89/00/564978900.db2.gz KIYPHFHREODRAW-KBPBESRZSA-N 1 0 383.366 2.801 20 0 GFADRO Cc1cc(N2CCC[C@H](NC(=O)C[N@@H+](C)C(C)C)C2=O)ccc1Br ZINC000468151293 564979093 /nfs/dbraw/zinc/97/90/93/564979093.db2.gz YWVLYOGAJBBLKH-INIZCTEOSA-N 1 0 396.329 2.709 20 0 GFADRO [NH3+]C[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(Br)c3ccccc23)C1 ZINC000561003718 564981003 /nfs/dbraw/zinc/98/10/03/564981003.db2.gz SPFSPJDMMJHCFT-LBPRGKRZSA-N 1 0 390.281 2.738 20 0 GFADRO [NH3+]C[C@H]1CCCN(C(=O)Nc2cccc(F)c2I)C1 ZINC000561008303 564981020 /nfs/dbraw/zinc/98/10/20/564981020.db2.gz KRVZSKGVUARUCG-SECBINFHSA-N 1 0 377.201 2.633 20 0 GFADRO COCc1nc2n(n1)C[C@@H]([NH2+][C@@H]1CCc3cccc(Br)c3C1)CC2 ZINC000561044810 564981863 /nfs/dbraw/zinc/98/18/63/564981863.db2.gz HJQFNRVDRYSVAQ-KGLIPLIRSA-N 1 0 391.313 2.649 20 0 GFADRO [NH3+][C@@H]1CCc2ncc(NC(=O)NCc3ccccc3Br)cc2C1 ZINC000561053621 564982578 /nfs/dbraw/zinc/98/25/78/564982578.db2.gz UIJPVQKYYQNZOI-CYBMUJFWSA-N 1 0 375.270 2.982 20 0 GFADRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)c1ccc(Cl)c(NS(C)(=O)=O)c1 ZINC000468484637 564984228 /nfs/dbraw/zinc/98/42/28/564984228.db2.gz SEOCYHPFIOVEGL-HNNXBMFYSA-N 1 0 387.933 2.562 20 0 GFADRO C[C@@]1(CNC(=O)N2CCO[C@@H](c3cccc(Br)c3)C2)CCC[NH2+]C1 ZINC000561215375 564987667 /nfs/dbraw/zinc/98/76/67/564987667.db2.gz MJKDEFFSRVNFQP-SJLPKXTDSA-N 1 0 396.329 2.922 20 0 GFADRO O=C(N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)N(CCO)Cc1ccc(Cl)c(Cl)c1 ZINC000561223175 564988710 /nfs/dbraw/zinc/98/87/10/564988710.db2.gz FDWQEUZOGAVGGH-QLFBSQMISA-N 1 0 386.323 2.885 20 0 GFADRO C[C@H]1CCC[N@H+](CCNS(=O)(=O)c2c(F)cccc2OC(F)(F)F)C1 ZINC000561343367 564992116 /nfs/dbraw/zinc/99/21/16/564992116.db2.gz ZJQCHWPJDQANRD-NSHDSACASA-N 1 0 384.395 2.735 20 0 GFADRO CCc1n[nH]c(C(=O)NCC2([NH+](C)C)Cc3ccccc3C2)c1Br ZINC000468802977 564994488 /nfs/dbraw/zinc/99/44/88/564994488.db2.gz BVWWFXKKKZCAJH-UHFFFAOYSA-N 1 0 391.313 2.564 20 0 GFADRO C[C@H](CNS(=O)(=O)Cc1ccccc1Br)[NH+]1CCC(C)CC1 ZINC000561501994 564996802 /nfs/dbraw/zinc/99/68/02/564996802.db2.gz KPIIVSAUXSTYBR-CQSZACIVSA-N 1 0 389.359 2.989 20 0 GFADRO O=S(=O)(Cc1ccon1)NCC[NH2+][C@H](CC1CC1)c1ccc(Cl)cc1 ZINC000468909458 564998445 /nfs/dbraw/zinc/99/84/45/564998445.db2.gz JHCHXNUZJOKOGS-QGZVFWFLSA-N 1 0 383.901 2.878 20 0 GFADRO Cc1ccc(Br)c(NC(=O)C(=O)NCC2([NH+](C)C)CCCC2)c1 ZINC000534890241 564999152 /nfs/dbraw/zinc/99/91/52/564999152.db2.gz ODPRIBZVNDFQTR-UHFFFAOYSA-N 1 0 382.302 2.687 20 0 GFADRO Cc1cnc(NC(=O)[C@@H]2CSCN2C(=O)[C@H](C)[NH+]2CCCCCC2)s1 ZINC000468930710 564999261 /nfs/dbraw/zinc/99/92/61/564999261.db2.gz JJJSKGOPSKEIBU-KBPBESRZSA-N 1 0 382.555 2.556 20 0 GFADRO CS[C@H]1CN(S(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)C[C@@H]1[NH+](C)C ZINC000534907912 564999464 /nfs/dbraw/zinc/99/94/64/564999464.db2.gz QTXJLSRIYBRVMU-STQMWFEESA-N 1 0 386.436 2.511 20 0 GFADRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)c1ccc(-n2cc(Br)cn2)cc1 ZINC000535073557 565004933 /nfs/dbraw/zinc/00/49/33/565004933.db2.gz UFGPIARCWULLTL-QWHCGFSZSA-N 1 0 377.286 2.799 20 0 GFADRO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000469180657 565008125 /nfs/dbraw/zinc/00/81/25/565008125.db2.gz ZHDDYUHTLPOGTK-IPYPFGDCSA-N 1 0 390.933 2.515 20 0 GFADRO O=C(NCCNc1cc[nH+]cc1)NCC1(c2cccc(Br)c2)CC1 ZINC000535262959 565008864 /nfs/dbraw/zinc/00/88/64/565008864.db2.gz RVKUSJCUNPQOOB-UHFFFAOYSA-N 1 0 389.297 2.709 20 0 GFADRO C[C@H](Cc1cc(Br)ccc1F)NC(=O)NCCNc1cc[nH+]cc1 ZINC000535266398 565009803 /nfs/dbraw/zinc/00/98/03/565009803.db2.gz SZDXUJYUVHWOGS-GFCCVEGCSA-N 1 0 395.276 2.747 20 0 GFADRO COc1ccc(NC(=O)C[C@H](C)[NH2+]Cc2ccc(S(C)(=O)=O)s2)cc1 ZINC000469296945 565012382 /nfs/dbraw/zinc/01/23/82/565012382.db2.gz JNDGMJQGUZACKA-LBPRGKRZSA-N 1 0 382.507 2.667 20 0 GFADRO CN(C)S(=O)(=O)c1ccc(OCC[N@H+](C)C2CCC(F)(F)CC2)cc1 ZINC000561958203 565013499 /nfs/dbraw/zinc/01/34/99/565013499.db2.gz UAOVUJUBJARVIY-UHFFFAOYSA-N 1 0 376.469 2.825 20 0 GFADRO CC[C@@H]1C[N@H+](C[C@H](O)COc2ccc(Cl)cc2Br)C[C@@H]1O ZINC000535575054 565016291 /nfs/dbraw/zinc/01/62/91/565016291.db2.gz MBBRFTFWICBWHY-OSMZGAPFSA-N 1 0 378.694 2.545 20 0 GFADRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)[C@H]1CC(=O)Nc2ccc(Br)cc21 ZINC000469430608 565017444 /nfs/dbraw/zinc/01/74/44/565017444.db2.gz UCPKQLDKTOFQMF-DOMZBBRYSA-N 1 0 394.313 2.675 20 0 GFADRO CC[NH+](CC)[C@@H]1CCN(C(=O)[C@@H]2CC(=O)Nc3ccc(Br)cc32)C1 ZINC000469502079 565019225 /nfs/dbraw/zinc/01/92/25/565019225.db2.gz SRGJCRQMRIYMDO-UKRRQHHQSA-N 1 0 394.313 2.818 20 0 GFADRO C[NH+](C)CCN(Cc1cn2ccc(Br)cc2n1)C[C@H]1CCCO1 ZINC000562205557 565020573 /nfs/dbraw/zinc/02/05/73/565020573.db2.gz QNWDUWOWWPRLIR-MRXNPFEDSA-N 1 0 381.318 2.639 20 0 GFADRO Cc1cc(Br)ccc1OCC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000535874271 565022701 /nfs/dbraw/zinc/02/27/01/565022701.db2.gz BYOCOVSPOPBDDL-MRXNPFEDSA-N 1 0 399.329 2.609 20 0 GFADRO C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@@H](C)c2ccc(Br)cc2)[C@H](C)C1 ZINC000503557964 565023284 /nfs/dbraw/zinc/02/32/84/565023284.db2.gz MOCFEFMHYDSZRM-RDBSUJKOSA-N 1 0 384.318 2.607 20 0 GFADRO C[N@H+](CCNS(=O)(=O)c1ccccc1)CCc1ccc(Br)cc1 ZINC000503570409 565024353 /nfs/dbraw/zinc/02/43/53/565024353.db2.gz HLTGPCYZMONSAH-UHFFFAOYSA-N 1 0 397.338 2.902 20 0 GFADRO COc1ccc(Cl)cc1CS(=O)(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000535902788 565024718 /nfs/dbraw/zinc/02/47/18/565024718.db2.gz BQQRPHDPUNDZOA-OAHLLOKOSA-N 1 0 386.945 2.842 20 0 GFADRO COc1ccc(Cl)cc1CS(=O)(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000535902787 565024748 /nfs/dbraw/zinc/02/47/48/565024748.db2.gz BQQRPHDPUNDZOA-HNNXBMFYSA-N 1 0 386.945 2.842 20 0 GFADRO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]CCc1ccc2c(c1)OCO2 ZINC000562374975 565026657 /nfs/dbraw/zinc/02/66/57/565026657.db2.gz HGJUOIWVJLSJAZ-LBPRGKRZSA-N 1 0 379.254 2.560 20 0 GFADRO CCS[C@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1cc(S(C)(=O)=O)ccc1F ZINC000469781649 565027117 /nfs/dbraw/zinc/02/71/17/565027117.db2.gz WMLIOQKIYJITSK-HOCLYGCPSA-N 1 0 388.530 2.822 20 0 GFADRO COC(=O)[C@H](c1cccc(Cl)c1Cl)N1CCC[N@@H+]([C@@H](C)CO)CC1 ZINC000469826403 565028571 /nfs/dbraw/zinc/02/85/71/565028571.db2.gz FKCRIRGKCITRBE-LRDDRELGSA-N 1 0 375.296 2.596 20 0 GFADRO CCOc1c(Br)cc(CN2CC[C@H](OC)C[C@H]2C[NH3+])cc1OC ZINC000469876588 565030963 /nfs/dbraw/zinc/03/09/63/565030963.db2.gz WNTRWMICUXFTKB-KBPBESRZSA-N 1 0 387.318 2.795 20 0 GFADRO CC[NH+](CC)CCN(C(=O)COCC1CC1)c1ccc(Br)cn1 ZINC000562499057 565030990 /nfs/dbraw/zinc/03/09/90/565030990.db2.gz PKFKXUNMVHMEHJ-UHFFFAOYSA-N 1 0 384.318 2.946 20 0 GFADRO COC(=O)c1ccc(Cl)cc1S(=O)(=O)N(C)CC[NH+](C(C)C)C(C)C ZINC000504009399 565032611 /nfs/dbraw/zinc/03/26/11/565032611.db2.gz RLENOTPJJVHIEP-UHFFFAOYSA-N 1 0 390.933 2.866 20 0 GFADRO C[C@H](C[NH+]1CCCCC1)NC(=O)N[C@H](CO)c1ccc(Br)cc1 ZINC000504081424 565034957 /nfs/dbraw/zinc/03/49/57/565034957.db2.gz ZGXQJTGCFKQUES-CZUORRHYSA-N 1 0 384.318 2.656 20 0 GFADRO CC[N@H+](CCO)CCNC(=O)N[C@@H](c1ccc(Br)cc1)C1CCC1 ZINC000470068274 565037224 /nfs/dbraw/zinc/03/72/24/565037224.db2.gz CABAFHSDTFZDIN-QGZVFWFLSA-N 1 0 398.345 2.904 20 0 GFADRO COc1ccc2c(c1)OC[C@H]([NH2+][C@@H](C(N)=O)c1ccc(Br)cc1)C2 ZINC000504377556 565038875 /nfs/dbraw/zinc/03/88/75/565038875.db2.gz YKLZLZYELJCRHD-RHSMWYFYSA-N 1 0 391.265 2.577 20 0 GFADRO O=C(NCC1CC[NH+](C2CC2)CC1)c1cccc(I)c1 ZINC000470315306 565042331 /nfs/dbraw/zinc/04/23/31/565042331.db2.gz XBXFOQURPGBXID-UHFFFAOYSA-N 1 0 384.261 2.895 20 0 GFADRO CC(=O)N[C@H](CC(=O)N1CC[N@@H+](C)[C@H](C)[C@@H]1C)c1ccc(Br)cc1 ZINC000536601308 565042431 /nfs/dbraw/zinc/04/24/31/565042431.db2.gz FKJWPJKYTUAANA-IIYDPXPESA-N 1 0 396.329 2.567 20 0 GFADRO COc1ccc(CNC(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1Br ZINC000562796948 565042939 /nfs/dbraw/zinc/04/29/39/565042939.db2.gz KNOAYADYYTTYLH-LSDHHAIUSA-N 1 0 396.329 2.989 20 0 GFADRO O=C(N[C@@H]1C[C@H]1c1ccc(Br)s1)N[C@@H]1C[NH2+]CCC1(F)F ZINC000562812155 565043971 /nfs/dbraw/zinc/04/39/71/565043971.db2.gz KLASUJODJYRRMX-NQMVMOMDSA-N 1 0 380.258 2.663 20 0 GFADRO Cc1cc(C)c(NC(=O)N2CCC[N@@H+]([C@@H](C)CO)CC2)c(Br)c1 ZINC000470415975 565045385 /nfs/dbraw/zinc/04/53/85/565045385.db2.gz VJUMLTHSNHHTMH-AWEZNQCLSA-N 1 0 384.318 2.986 20 0 GFADRO CCN(CC)C(=O)C[C@@H](C)[NH2+]Cc1ccc(S(=O)(=O)N(CC)CC)s1 ZINC000536834985 565048113 /nfs/dbraw/zinc/04/81/13/565048113.db2.gz SXHKKVZDEYPTFM-CQSZACIVSA-N 1 0 389.587 2.515 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCN(c2cnn(C)c2)C1=O)c1ccc(Br)c(F)c1 ZINC000536857388 565048540 /nfs/dbraw/zinc/04/85/40/565048540.db2.gz KPQBXYSZYVBLGR-ZUZCIYMTSA-N 1 0 381.249 2.778 20 0 GFADRO C[C@H]([NH2+][C@H]1CCC[C@@H](S(C)(=O)=O)C1)c1ccc(-n2cncn2)cc1Cl ZINC000536879183 565048597 /nfs/dbraw/zinc/04/85/97/565048597.db2.gz VFFYCGVNFYCIHO-KCQAQPDRSA-N 1 0 382.917 2.927 20 0 GFADRO CS(=O)(=O)c1cccc([C@H](N[C@@H]2[C@H]3C[NH2+]C[C@H]32)c2ccc(Cl)cc2)c1 ZINC000562962312 565049117 /nfs/dbraw/zinc/04/91/17/565049117.db2.gz RZQJZVFWNFASCA-HCXYKTFWSA-N 1 0 376.909 2.640 20 0 GFADRO CCOC(=O)[C@@H](Cc1cc(Cl)cc(Cl)c1)NC(=O)C[N@H+](C)C(C)C ZINC000470646441 565051952 /nfs/dbraw/zinc/05/19/52/565051952.db2.gz WONYHEFFNNETDC-OAHLLOKOSA-N 1 0 375.296 2.924 20 0 GFADRO CC(C)[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)N1CCC[C@H]2C[N@H+](C)C[C@H]21 ZINC000563013723 565052101 /nfs/dbraw/zinc/05/21/01/565052101.db2.gz IXGOHJSZCIIDRZ-WOSRLPQWSA-N 1 0 383.945 2.709 20 0 GFADRO C[NH+]1CCC(CCO)(NC(=O)CSc2cccc(Br)c2)CC1 ZINC000470655162 565052385 /nfs/dbraw/zinc/05/23/85/565052385.db2.gz CSMJSPYDRJQAKY-UHFFFAOYSA-N 1 0 387.343 2.504 20 0 GFADRO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2cc3c(c(Cl)c2)OCO3)cc1 ZINC000537061862 565052589 /nfs/dbraw/zinc/05/25/89/565052589.db2.gz BEUWEXFAZIILES-LLVKDONJSA-N 1 0 382.869 2.828 20 0 GFADRO O=c1cc(C[N@@H+]2CCC[C@H]2[C@H]2CCCOC2)nc2ccc(Br)cn12 ZINC000563066644 565054003 /nfs/dbraw/zinc/05/40/03/565054003.db2.gz ZDXLHVIPCVQUSL-BBRMVZONSA-N 1 0 392.297 2.848 20 0 GFADRO C[C@H](NC(=O)[C@@H]1CC[NH2+][C@@H]1C)c1nc(-c2ccc(Br)cc2)no1 ZINC000563090430 565055222 /nfs/dbraw/zinc/05/52/22/565055222.db2.gz QQHLFJKKFLDTOX-GBIKHYSHSA-N 1 0 379.258 2.674 20 0 GFADRO C[C@H](C[C@H](C)[NH3+])NS(=O)(=O)c1cc(C(F)(F)F)ccc1Br ZINC000563124541 565056498 /nfs/dbraw/zinc/05/64/98/565056498.db2.gz GJHYDFSIFDQDMM-JGVFFNPUSA-N 1 0 389.237 2.872 20 0 GFADRO C[C@@H]([NH2+]CCN1C[C@H]2CC[C@@H](C1)O2)c1cc2c(cc1Br)OCCO2 ZINC000537290624 565056761 /nfs/dbraw/zinc/05/67/61/565056761.db2.gz LKYGLCCJYAQTRK-MCIONIFRSA-N 1 0 397.313 2.734 20 0 GFADRO O=S1(=O)CC[C@]2(C1)C[C@H]([NH2+]Cc1ncc(-c3ccccc3)s1)CCO2 ZINC000537385150 565057883 /nfs/dbraw/zinc/05/78/83/565057883.db2.gz JYVAVLMQMXTDOY-CRAIPNDOSA-N 1 0 378.519 2.636 20 0 GFADRO CC[NH+](CC)CC[C@@H](CO)NC(=O)c1sc(C)c(Br)c1OC ZINC000537717809 565062142 /nfs/dbraw/zinc/06/21/42/565062142.db2.gz DBCINYSWLRWAKE-NSHDSACASA-N 1 0 393.347 2.650 20 0 GFADRO C[C@@H](O)C[N@@H+]1CCN(C(=O)Cc2c(Cl)cccc2Br)[C@H](C)C1 ZINC000613654364 565076551 /nfs/dbraw/zinc/07/65/51/565076551.db2.gz AWEDQKSGJMYOKO-VXGBXAGGSA-N 1 0 389.721 2.559 20 0 GFADRO C[C@H]1CN(C(=O)c2cc(F)c(Cl)c(N)c2Cl)CC[N@@H+]1CC(C)(C)O ZINC000635834608 565077029 /nfs/dbraw/zinc/07/70/29/565077029.db2.gz OENLZBJBMPSVCE-VIFPVBQESA-N 1 0 378.275 2.632 20 0 GFADRO CC[NH+](CC)CC[C@H](CO)NC(=O)Cc1c[nH]c2cccc(Br)c12 ZINC000584377193 565078270 /nfs/dbraw/zinc/07/82/70/565078270.db2.gz DEMUGFLDNILBSY-CQSZACIVSA-N 1 0 396.329 2.682 20 0 GFADRO O=C(NCC[C@H]1CCC[NH2+]1)[C@@H](c1ccc(Br)cc1)N1CCCC1 ZINC000584408832 565079180 /nfs/dbraw/zinc/07/91/80/565079180.db2.gz JNQPUXJPVPGZQY-IAGOWNOFSA-N 1 0 380.330 2.844 20 0 GFADRO O=C(CC1CC[NH2+]CC1)NCc1nc(-c2cccc(Br)c2)no1 ZINC000584408272 565079366 /nfs/dbraw/zinc/07/93/66/565079366.db2.gz DTMKLUSSBUTBGL-UHFFFAOYSA-N 1 0 379.258 2.505 20 0 GFADRO C[NH+](C)C1(CNC(=O)[C@@H]2CCO[C@H]2c2cncc(Br)c2)CCC1 ZINC000613796455 565079986 /nfs/dbraw/zinc/07/99/86/565079986.db2.gz PKVLSYLSAROHLE-CABCVRRESA-N 1 0 382.302 2.522 20 0 GFADRO C[N@@H+]1CCC[C@@H]1[C@H]1COCCN1C(=O)c1cc(F)c(Cl)c(N)c1Cl ZINC000635960924 565084472 /nfs/dbraw/zinc/08/44/72/565084472.db2.gz ZBUWNLNDZUOSGU-VXGBXAGGSA-N 1 0 376.259 2.650 20 0 GFADRO O=C(NCC12CCC[NH+]1CCC2)c1ccn(-c2cccc(Br)c2)n1 ZINC000684847422 565084772 /nfs/dbraw/zinc/08/47/72/565084772.db2.gz JIZHWTDLEWRGMN-UHFFFAOYSA-N 1 0 389.297 2.993 20 0 GFADRO COC(=O)C[C@@H]1CN(CCCC(=O)c2ccc(Br)cc2)CCO1 ZINC000584556876 565087834 /nfs/dbraw/zinc/08/78/34/565087834.db2.gz YPIPQFIEHPKZEC-OAHLLOKOSA-N 1 0 384.270 2.676 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CC[NH2+]C[C@@H](O)CCOC(C)C ZINC000584585696 565089660 /nfs/dbraw/zinc/08/96/60/565089660.db2.gz RPOCSGPHQJHVDJ-HNNXBMFYSA-N 1 0 387.318 2.852 20 0 GFADRO COc1cc(CNC(=O)[C@H]2CC[N@@H+]2C2CCCC2)c(Br)cc1O ZINC000636109963 565091502 /nfs/dbraw/zinc/09/15/02/565091502.db2.gz BVUSXUSSRPIQMC-CQSZACIVSA-N 1 0 383.286 2.796 20 0 GFADRO Nc1cc(Br)ccc1C(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000584721749 565093177 /nfs/dbraw/zinc/09/31/77/565093177.db2.gz SSFBUFROGRJOGT-UHFFFAOYSA-N 1 0 378.314 2.915 20 0 GFADRO CN(CCC[NH+](C)C)C(=O)C(=O)N(Cc1ccc(Cl)c(Cl)c1)C1CC1 ZINC000584766125 565096139 /nfs/dbraw/zinc/09/61/39/565096139.db2.gz OHGVAJHQSUEPEU-UHFFFAOYSA-N 1 0 386.323 2.895 20 0 GFADRO Cc1c(Br)cncc1C[NH2+]CCNC(=O)Cc1cccc(F)c1 ZINC000657339318 565098106 /nfs/dbraw/zinc/09/81/06/565098106.db2.gz AUFUWHFVPJVFSP-UHFFFAOYSA-N 1 0 380.261 2.740 20 0 GFADRO O[C@H]1CCCC[C@@H]1[NH+]1CCC(NCc2c(F)cncc2Br)CC1 ZINC000657401765 565100426 /nfs/dbraw/zinc/10/04/26/565100426.db2.gz XNJHFYNIBXPBOX-IRXDYDNUSA-N 1 0 386.309 2.841 20 0 GFADRO OC[C@@H](C[NH2+]Cc1ccnn1CC1CC1)Cc1ccc(Br)cc1 ZINC000657449232 565101561 /nfs/dbraw/zinc/10/15/61/565101561.db2.gz RNICAQRKRRTFFM-MRXNPFEDSA-N 1 0 378.314 2.996 20 0 GFADRO OC[C@H](C[NH2+]Cc1cn(C2CCC2)nn1)Cc1ccc(F)c(Br)c1 ZINC000657485491 565102559 /nfs/dbraw/zinc/10/25/59/565102559.db2.gz MCZSRFSFSWOANX-ZDUSSCGKSA-N 1 0 397.292 2.846 20 0 GFADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc2c(Br)cccc2cn1 ZINC000584879306 565103266 /nfs/dbraw/zinc/10/32/66/565103266.db2.gz NPNVQPISCCTYMO-CQSZACIVSA-N 1 0 392.297 2.838 20 0 GFADRO Cc1c(Br)cncc1C[NH2+]CCCN1C(=O)c2ccccc2C1=O ZINC000657463806 565103482 /nfs/dbraw/zinc/10/34/82/565103482.db2.gz QFRDEKWJMVAOCS-UHFFFAOYSA-N 1 0 388.265 2.928 20 0 GFADRO COc1c[nH+]ccc1N1CCN(C(=O)c2cncc(Br)c2C)CC1 ZINC000614305572 565106885 /nfs/dbraw/zinc/10/68/85/565106885.db2.gz VXEVFEFTZMOCTM-UHFFFAOYSA-N 1 0 391.269 2.519 20 0 GFADRO CC[NH+](CC)CC[C@H](CO)NC(=O)c1c(Cl)cccc1Br ZINC000614349447 565109346 /nfs/dbraw/zinc/10/93/46/565109346.db2.gz UCTFORQBUCLHKV-LLVKDONJSA-N 1 0 377.710 2.925 20 0 GFADRO CO[C@@H]1CCC[C@@H]([C@@H](CO)[NH2+]Cc2cc3c(c(Br)c2)OCO3)C1 ZINC000657575459 565110048 /nfs/dbraw/zinc/11/00/48/565110048.db2.gz BOTQWVJECPYTJC-UMVBOHGHSA-N 1 0 386.286 2.834 20 0 GFADRO Cc1cc(Br)c(C[NH2+]C[C@@]2(OCCO)CCOC2)cc1Cl ZINC000657597955 565112069 /nfs/dbraw/zinc/11/20/69/565112069.db2.gz DKTXISZNIDLROY-HNNXBMFYSA-N 1 0 378.694 2.669 20 0 GFADRO COc1ccc(Br)cc1C(=O)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000614437964 565112374 /nfs/dbraw/zinc/11/23/74/565112374.db2.gz LBVSGXOEIZDUGV-OAHLLOKOSA-N 1 0 397.313 2.785 20 0 GFADRO COCCCN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc(F)c(Cl)c1 ZINC000685605890 565115794 /nfs/dbraw/zinc/11/57/94/565115794.db2.gz IGSRQWOIQCSDFB-UHFFFAOYSA-N 1 0 378.897 2.601 20 0 GFADRO C[N@H+](CCNC(=O)C(=O)Nc1cccc(Br)c1F)C1CCCC1 ZINC000657654355 565116974 /nfs/dbraw/zinc/11/69/74/565116974.db2.gz RPJJBJYGQYNPMB-UHFFFAOYSA-N 1 0 386.265 2.517 20 0 GFADRO C[NH+](C)CCCNC(=O)NCC1(c2ccc(Br)cc2)CCOCC1 ZINC000586848648 565119350 /nfs/dbraw/zinc/11/93/50/565119350.db2.gz JUZNEYGAUCGQHP-UHFFFAOYSA-N 1 0 398.345 2.748 20 0 GFADRO CCS(=O)(=O)C1(C[NH2+]CC2=Cc3cc(Br)ccc3OC2)CC1 ZINC000657757192 565127372 /nfs/dbraw/zinc/12/73/72/565127372.db2.gz CMPOBQXTBIHYEX-UHFFFAOYSA-N 1 0 386.311 2.782 20 0 GFADRO OCC1([C@@H]([NH2+]Cc2cc3c(cc2Br)OCO3)[C@@H]2CCCO2)CCC1 ZINC000685851944 565127769 /nfs/dbraw/zinc/12/77/69/565127769.db2.gz ULHIVHVMGVIBTA-YOEHRIQHSA-N 1 0 398.297 2.978 20 0 GFADRO OCC1([C@@H]([NH2+]Cc2cc3c(c(Br)c2)OCO3)[C@H]2CCCO2)CCC1 ZINC000685851254 565127935 /nfs/dbraw/zinc/12/79/35/565127935.db2.gz FTXFPPJIPRLMBY-PBHICJAKSA-N 1 0 398.297 2.978 20 0 GFADRO C[NH+](C)[C@]1(CNC(=O)N[C@H](CCO)c2ccc(Cl)c(F)c2)CCSC1 ZINC000636905990 565129599 /nfs/dbraw/zinc/12/95/99/565129599.db2.gz ONZWOQAUKOZBRB-WBVHZDCISA-N 1 0 389.924 2.639 20 0 GFADRO CC(C)[NH+]1CCC(C(=O)Nc2cc3c(cc2Br)NC(=O)CO3)CC1 ZINC000636981783 565132120 /nfs/dbraw/zinc/13/21/20/565132120.db2.gz RPYFYBVEGLUYMB-UHFFFAOYSA-N 1 0 396.285 2.839 20 0 GFADRO COCC[NH+]1CCC(NC(=O)N[C@@H]2C[C@@H]2c2cccc(Br)c2)CC1 ZINC000588287973 565132619 /nfs/dbraw/zinc/13/26/19/565132619.db2.gz ATBHVRWDTIMJEY-IAGOWNOFSA-N 1 0 396.329 2.715 20 0 GFADRO CSc1cc(Cl)ccc1NC(=O)C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000657858006 565134040 /nfs/dbraw/zinc/13/40/40/565134040.db2.gz FGYOFUNYQWOJRS-SWLSCSKDSA-N 1 0 381.929 2.943 20 0 GFADRO Cc1cc(N2CCC[C@@H]([NH2+][C@@H](C)Cn3cncn3)C2=O)ccc1Br ZINC000657977201 565141739 /nfs/dbraw/zinc/14/17/39/565141739.db2.gz WVCBOKYCCAECFQ-XJKSGUPXSA-N 1 0 392.301 2.523 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC000588902357 565144088 /nfs/dbraw/zinc/14/40/88/565144088.db2.gz JRHXFYQQKOKBAA-UHFFFAOYSA-N 1 0 384.318 2.790 20 0 GFADRO Cc1c(Br)cncc1C(=O)Nc1cccc(C[N@@H+]2CC[C@@H](O)C2)c1 ZINC000615108975 565144633 /nfs/dbraw/zinc/14/46/33/565144633.db2.gz QPXYICIOXUYKEN-OAHLLOKOSA-N 1 0 390.281 2.971 20 0 GFADRO Cc1cccc(Br)c1C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000637218340 565145531 /nfs/dbraw/zinc/14/55/31/565145531.db2.gz OBHGXYQHXDCRRU-HNNXBMFYSA-N 1 0 380.330 2.610 20 0 GFADRO CCO[C@@H]1C[C@H]([NH2+]CCNC(=O)c2ccc(Br)cn2)C12CCC2 ZINC000658092257 565148977 /nfs/dbraw/zinc/14/89/77/565148977.db2.gz LEDTYPCGYLTPJG-LSDHHAIUSA-N 1 0 382.302 2.511 20 0 GFADRO CCc1cccnc1[C@H](C)[NH2+]CCNC(=O)c1ccc(Br)cn1 ZINC000658091309 565149331 /nfs/dbraw/zinc/14/93/31/565149331.db2.gz DIZRPNVUHKRUOZ-LBPRGKRZSA-N 1 0 377.286 2.882 20 0 GFADRO C[N@@H+]1C[C@@H]2CCN(C(=O)c3cc(-c4ccc(Br)cc4)no3)[C@@H]2C1 ZINC000615182701 565149689 /nfs/dbraw/zinc/14/96/89/565149689.db2.gz ABYPDYASDOXABR-SWLSCSKDSA-N 1 0 376.254 2.880 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)C(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000658121450 565150181 /nfs/dbraw/zinc/15/01/81/565150181.db2.gz ABVQNOFJMBAEKA-ZDUSSCGKSA-N 1 0 382.302 2.685 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)C(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000658120807 565150699 /nfs/dbraw/zinc/15/06/99/565150699.db2.gz UYVQBRLESGXPEE-CYBMUJFWSA-N 1 0 396.329 2.933 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccc(Br)cc2)C1 ZINC000658118768 565150879 /nfs/dbraw/zinc/15/08/79/565150879.db2.gz GNUZOMZMJZTEPQ-LBPRGKRZSA-N 1 0 382.302 2.624 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)C(=O)Nc1cc(Br)ccc1F ZINC000658124025 565151645 /nfs/dbraw/zinc/15/16/45/565151645.db2.gz OOEKMQQTVQXEBW-LLVKDONJSA-N 1 0 386.265 2.516 20 0 GFADRO OCCO[C@@]1(C[NH2+][C@H]2CCc3c2cc(Br)cc3Cl)CCOC1 ZINC000658148186 565153017 /nfs/dbraw/zinc/15/30/17/565153017.db2.gz KRJUMSJTROTWTN-JKSUJKDBSA-N 1 0 390.705 2.847 20 0 GFADRO OCCO[C@@]1(C[NH2+][C@@H](c2ccc(Br)cc2F)C2CC2)CCOC1 ZINC000658143276 565153333 /nfs/dbraw/zinc/15/33/33/565153333.db2.gz HBDDCZYRKCMFPX-IAGOWNOFSA-N 1 0 388.277 2.797 20 0 GFADRO C[C@@H](C(=O)Nc1cccc(Br)c1)[N@@H+]1CCC[C@@H](CCC(N)=O)C1 ZINC000589153552 565153524 /nfs/dbraw/zinc/15/35/24/565153524.db2.gz FIUHIISHCCYPQA-STQMWFEESA-N 1 0 382.302 2.754 20 0 GFADRO C[C@@H]([NH2+]CCO[C@@H]1CC1(F)F)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000658171410 565154388 /nfs/dbraw/zinc/15/43/88/565154388.db2.gz YLXGOAAXLSVACO-JMCQJSRRSA-N 1 0 389.251 2.716 20 0 GFADRO O=S1(=O)CC[C@H]([NH2+]C[C@H](CO)CC2CC2)c2cc(Br)ccc21 ZINC000658252511 565156425 /nfs/dbraw/zinc/15/64/25/565156425.db2.gz LHZJLWVVQVESIE-DOMZBBRYSA-N 1 0 388.327 2.666 20 0 GFADRO C[C@H]([NH2+]C[C@H](CO)CC1CC1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000658254220 565156486 /nfs/dbraw/zinc/15/64/86/565156486.db2.gz QHYAZGUSGFIUKK-GXSJLCMTSA-N 1 0 381.325 2.700 20 0 GFADRO CN(C(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000637474196 565158537 /nfs/dbraw/zinc/15/85/37/565158537.db2.gz XRDRYEINPMXLSL-ZOWXZIJZSA-N 1 0 387.311 2.501 20 0 GFADRO CNC(=O)CC1(C[NH2+][C@@H](C)Cn2cc(Br)ccc2=O)CCCCC1 ZINC000658306921 565159173 /nfs/dbraw/zinc/15/91/73/565159173.db2.gz GQVCJQZQZVHEHE-AWEZNQCLSA-N 1 0 398.345 2.676 20 0 GFADRO C[C@H]([NH3+])C1CCN(S(=O)(=O)c2cc(Cl)cc(Br)c2)CC1 ZINC000658365129 565161990 /nfs/dbraw/zinc/16/19/90/565161990.db2.gz IPORIGLDFFMKJI-VIFPVBQESA-N 1 0 381.723 2.850 20 0 GFADRO CCCOc1ccc(Br)cc1S(=O)(=O)N[C@@H](C)CCC[NH3+] ZINC000658380336 565165050 /nfs/dbraw/zinc/16/50/50/565165050.db2.gz OHWZGIXQZUGNAI-NSHDSACASA-N 1 0 379.320 2.644 20 0 GFADRO C[C@@H]([NH3+])[C@H](C)NS(=O)(=O)c1cc(Cl)c(Cl)cc1Br ZINC000658380204 565165066 /nfs/dbraw/zinc/16/50/66/565165066.db2.gz IUQHGPHTXHBKHO-RITPCOANSA-N 1 0 376.103 2.770 20 0 GFADRO CN(CC(C)(C)[NH3+])S(=O)(=O)c1ccc(Br)c(C(F)(F)F)c1 ZINC000658389736 565167257 /nfs/dbraw/zinc/16/72/57/565167257.db2.gz PIMNRWSZLJVTIA-UHFFFAOYSA-N 1 0 389.237 2.826 20 0 GFADRO O=S(=O)(c1c[nH]c2nccc(Cl)c12)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000658386132 565167167 /nfs/dbraw/zinc/16/71/67/565167167.db2.gz ZOHWMUMLYINTGQ-ZDUSSCGKSA-N 1 0 382.917 2.617 20 0 GFADRO C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1COc3ccc(Br)cc31)C2 ZINC000615610353 565167747 /nfs/dbraw/zinc/16/77/47/565167747.db2.gz XSMVSJAQIMDUJC-QAPCUYQASA-N 1 0 379.298 2.869 20 0 GFADRO Cc1cc(S(=O)(=O)N[C@@H]2CC[NH2+]C3(CCC3)C2)c(F)cc1Br ZINC000658402612 565168334 /nfs/dbraw/zinc/16/83/34/565168334.db2.gz SWAVIBPUZIMZSD-LLVKDONJSA-N 1 0 391.306 2.850 20 0 GFADRO C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1cc(Br)c3c(c1)OCCO3)C2 ZINC000615618203 565168798 /nfs/dbraw/zinc/16/87/98/565168798.db2.gz FVAJOIYQUWKSPA-GOSISDBHSA-N 1 0 395.297 2.778 20 0 GFADRO CS(=O)(=O)Nc1cccc(C[NH2+]CCOc2cccc(Br)c2)c1 ZINC000589646574 565169401 /nfs/dbraw/zinc/16/94/01/565169401.db2.gz ZNZXTNCIMOLHGS-UHFFFAOYSA-N 1 0 399.310 2.989 20 0 GFADRO O=C(Cn1cc(Br)cn1)N[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000589884170 565172086 /nfs/dbraw/zinc/17/20/86/565172086.db2.gz ZMCKRUCCBIGFGD-KRWDZBQOSA-N 1 0 391.313 2.989 20 0 GFADRO Cc1cc(Cc2cnc(NC(=O)[C@@H]3OCC[C@@H]3[NH3+])s2)ccc1Br ZINC000637938999 565176926 /nfs/dbraw/zinc/17/69/26/565176926.db2.gz VIQAMLODFCITRG-UONOGXRCSA-N 1 0 396.310 2.860 20 0 GFADRO O=C(CCC1C[NH2+]C1)N1CCC(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000637969036 565178107 /nfs/dbraw/zinc/17/81/07/565178107.db2.gz ILQROXCLGUCOOP-UHFFFAOYSA-N 1 0 394.313 2.626 20 0 GFADRO C[N@@H+](Cc1ccc(S(N)(=O)=O)s1)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000637992510 565180393 /nfs/dbraw/zinc/18/03/93/565180393.db2.gz RWOUMFSKLPSFTM-CRAIPNDOSA-N 1 0 380.535 2.995 20 0 GFADRO CN(Cc1cnn(C)c1)C(=O)C[NH2+]C(C)(C)c1ccc(Br)cc1 ZINC000616010709 565184882 /nfs/dbraw/zinc/18/48/82/565184882.db2.gz JUIAURMDSJIQRE-UHFFFAOYSA-N 1 0 379.302 2.666 20 0 GFADRO [NH3+]C[C@@H](NC(=O)N1CCc2[nH]c3ccc(Br)cc3c2C1)C1CC1 ZINC000638155469 565186352 /nfs/dbraw/zinc/18/63/52/565186352.db2.gz AJQVRKQDYUHRMX-MRXNPFEDSA-N 1 0 377.286 2.735 20 0 GFADRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)c3ccc4cncc(Br)c4n3)C[C@H]21 ZINC000638164293 565187719 /nfs/dbraw/zinc/18/77/19/565187719.db2.gz KKPOFSSDNGAQQV-OUCADQQQSA-N 1 0 375.270 2.592 20 0 GFADRO CCC[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2cc(Cl)cc(Br)c2)C1 ZINC000658785674 565188421 /nfs/dbraw/zinc/18/84/21/565188421.db2.gz WZCVZADJMAHFLY-LBPRGKRZSA-N 1 0 388.693 2.642 20 0 GFADRO O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1sc2ncccc2c1Cl ZINC000638219160 565189134 /nfs/dbraw/zinc/18/91/34/565189134.db2.gz IMZGZFKVLGYKJB-JTQLQIEISA-N 1 0 392.834 2.516 20 0 GFADRO CC1CC[NH+]([C@H](CNCc2ccc(S(N)(=O)=O)o2)c2cccs2)CC1 ZINC000638291354 565189889 /nfs/dbraw/zinc/18/98/89/565189889.db2.gz PCVKHVCBMWYTNC-OAHLLOKOSA-N 1 0 383.539 2.551 20 0 GFADRO CC(C)C(=O)NCC[NH2+][C@@H]1CCN(C)[C@H](c2ccc(Br)cc2)C1 ZINC000638299272 565191147 /nfs/dbraw/zinc/19/11/47/565191147.db2.gz WVJPDOKEQXLOEX-SJORKVTESA-N 1 0 382.346 2.946 20 0 GFADRO CO[C@H]1C[NH2+][C@](C)(C(=O)N2CCC(c3cccc(Br)c3)CC2)C1 ZINC000638300923 565191252 /nfs/dbraw/zinc/19/12/52/565191252.db2.gz HTOFEZSNKGHRDR-AEFFLSMTSA-N 1 0 381.314 2.922 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+]C2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)o1 ZINC000638335596 565192994 /nfs/dbraw/zinc/19/29/94/565192994.db2.gz PRIAZEAPLZSKAB-HTQZYQBOSA-N 1 0 394.337 2.926 20 0 GFADRO COc1nsc(C[NH2+]CCCN(C)CC(F)(F)F)c1Br ZINC000638366712 565194242 /nfs/dbraw/zinc/19/42/42/565194242.db2.gz KVTHNNBOIXNOMD-UHFFFAOYSA-N 1 0 376.242 2.888 20 0 GFADRO CCc1nc(C(=O)N2CC[C@@H](C)[C@@H]([NH3+])C2)nn1-c1c(Cl)cccc1Cl ZINC000658972163 565197433 /nfs/dbraw/zinc/19/74/33/565197433.db2.gz KVIHLUHAAFIPQS-MFKMUULPSA-N 1 0 382.295 2.946 20 0 GFADRO C[NH2+]C[C@H](C)NC(=O)Nc1ccc(=O)n(Cc2ccc(Cl)c(Cl)c2)c1 ZINC000658990354 565198193 /nfs/dbraw/zinc/19/81/93/565198193.db2.gz ZZXQABBUOJNXPF-NSHDSACASA-N 1 0 383.279 2.933 20 0 GFADRO COc1cc(NC(=O)N2CCO[C@@H]([C@H](C)[NH3+])C2)c(Cl)cc1Br ZINC000659046851 565199093 /nfs/dbraw/zinc/19/90/93/565199093.db2.gz BUDSEHLAXAEHQV-ISVAXAHUSA-N 1 0 392.681 2.691 20 0 GFADRO [NH3+]C[C@H](NC(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1)C(F)(F)F ZINC000659024740 565199148 /nfs/dbraw/zinc/19/91/48/565199148.db2.gz IVCPNEQQTZCTRF-LBPRGKRZSA-N 1 0 385.217 2.715 20 0 GFADRO [NH3+][C@@H]1CN(C(=O)Nc2ccnn2Cc2cccc(Br)c2)CC[C@H]1F ZINC000659009722 565199165 /nfs/dbraw/zinc/19/91/65/565199165.db2.gz KSNPFPRQPZUSCL-ZIAGYGMSSA-N 1 0 396.264 2.597 20 0 GFADRO Cc1cc(Br)c(Cl)cc1NC(=O)N1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000659029799 565199192 /nfs/dbraw/zinc/19/91/92/565199192.db2.gz ZQRUOPTZEWQCQU-ZANVPECISA-N 1 0 376.682 2.991 20 0 GFADRO Cc1ccc(Cl)cc1N1CC[C@H](C[NH2+]Cc2ccc(S(N)(=O)=O)s2)C1 ZINC000638492140 565199235 /nfs/dbraw/zinc/19/92/35/565199235.db2.gz MIIKNZRRIIZDGQ-CYBMUJFWSA-N 1 0 399.969 2.973 20 0 GFADRO [NH3+]CC[C@H](NC(=O)NC[C@@H]1CCN(c2ccccc2Cl)C1)C(F)(F)F ZINC000659024186 565199473 /nfs/dbraw/zinc/19/94/73/565199473.db2.gz XGRKCMQTJMWXLB-FZMZJTMJSA-N 1 0 378.826 2.745 20 0 GFADRO C[C@H](CNCc1nc2cc(Br)ccc2o1)C[NH+]1CCN(C)CC1 ZINC000638553152 565201428 /nfs/dbraw/zinc/20/14/28/565201428.db2.gz RGYPCBIBJDLTFH-CYBMUJFWSA-N 1 0 381.318 2.563 20 0 GFADRO CC(=O)Nc1ccc(Cl)c(C(=O)N2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1 ZINC000638557674 565201604 /nfs/dbraw/zinc/20/16/04/565201604.db2.gz RVAHBSYNUAYKEY-GWCFXTLKSA-N 1 0 377.794 2.898 20 0 GFADRO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)Nc1cc(Cl)ccc1Br ZINC000659107254 565201613 /nfs/dbraw/zinc/20/16/13/565201613.db2.gz RZTLZCKFAWYZGR-LLVKDONJSA-N 1 0 376.682 2.531 20 0 GFADRO CC(C)c1n[nH]c(C(=O)N2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1Br ZINC000638551776 565201798 /nfs/dbraw/zinc/20/17/98/565201798.db2.gz VLGFBOBFKHNBDO-IUCAKERBSA-N 1 0 397.239 2.895 20 0 GFADRO C[NH2+]C[C@@H](C)NC(=O)C(=O)Nc1cc(Cl)ccc1SCC(F)(F)F ZINC000659111150 565202704 /nfs/dbraw/zinc/20/27/04/565202704.db2.gz GVUTZVVMBKMTNY-MRVPVSSYSA-N 1 0 383.823 2.657 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)N[C@@H]1CC[NH2+][C@H]1CC ZINC000638571533 565202790 /nfs/dbraw/zinc/20/27/90/565202790.db2.gz SOAACSADPMMFGL-SOUVJXGZSA-N 1 0 384.567 2.608 20 0 GFADRO C[C@@H]([NH2+][C@@H](C)c1ccc(F)c(I)c1)[C@@H]1CN(C)CCO1 ZINC000590778300 565204014 /nfs/dbraw/zinc/20/40/14/565204014.db2.gz SUVWMYHSENQOTH-RWSFTLGLSA-N 1 0 392.256 2.800 20 0 GFADRO C[NH2+]CCOCCN(C)C(=O)c1ccc(Br)cc1C(F)(F)F ZINC000638592989 565203928 /nfs/dbraw/zinc/20/39/28/565203928.db2.gz XUFRAOZEFGNJMX-UHFFFAOYSA-N 1 0 383.208 2.776 20 0 GFADRO O=C(C[C@@H]1C[NH2+]CCO1)N[C@@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC000638597307 565204153 /nfs/dbraw/zinc/20/41/53/565204153.db2.gz XINSBHSHAOBVGY-MLGOLLRUSA-N 1 0 392.297 2.803 20 0 GFADRO CO[C@@H](C[NH3+])CC(=O)N[C@@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC000638596152 565204462 /nfs/dbraw/zinc/20/44/62/565204462.db2.gz MIXLYGPCNWUULZ-IAQYHMDHSA-N 1 0 380.286 2.788 20 0 GFADRO COCC[C@](C)(O)C[NH2+][C@H]1CCN(C)[C@@H](c2ccc(Br)cc2)C1 ZINC000638612029 565205871 /nfs/dbraw/zinc/20/58/71/565205871.db2.gz RVINRXRPOSCWTH-KSZLIROESA-N 1 0 385.346 2.962 20 0 GFADRO CCOc1cc(CCC[NH2+]Cc2ccc(S(N)(=O)=O)s2)ccc1OC ZINC000638657982 565205935 /nfs/dbraw/zinc/20/59/35/565205935.db2.gz QECXWKLRTLIYSF-UHFFFAOYSA-N 1 0 384.523 2.525 20 0 GFADRO CN(CCOCC[NH3+])C(=O)c1cccnc1Oc1ccc(Br)cc1 ZINC000638675045 565206970 /nfs/dbraw/zinc/20/69/70/565206970.db2.gz AGFZBGMZQDXOJW-UHFFFAOYSA-N 1 0 394.269 2.684 20 0 GFADRO CCCC[N@H+](C)C[C@@H](C)NC(=O)N[C@H](CO)c1ccc(Br)cc1 ZINC000638716477 565208351 /nfs/dbraw/zinc/20/83/51/565208351.db2.gz JGCSMTRSEFLDJG-CZUORRHYSA-N 1 0 386.334 2.902 20 0 GFADRO O=S(=O)(c1ccc(CC[NH2+]CCC2CCOCC2)s1)N1CCCCC1 ZINC000638701439 565208453 /nfs/dbraw/zinc/20/84/53/565208453.db2.gz QOQJROYHQCLNHN-UHFFFAOYSA-N 1 0 386.583 2.872 20 0 GFADRO CN1CC[C@H]([NH2+]C[C@@]2(CCO)CCOC2)C[C@@H]1c1ccc(Br)cc1 ZINC000638745960 565209222 /nfs/dbraw/zinc/20/92/22/565209222.db2.gz BVHOHCZXTNUAOS-IPMKNSEASA-N 1 0 397.357 2.963 20 0 GFADRO O=C(Cc1ccccc1Br)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000638779124 565210151 /nfs/dbraw/zinc/21/01/51/565210151.db2.gz PZWNTQOLQVZOGP-MRXNPFEDSA-N 1 0 381.314 2.609 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+][C@H]2CCN(c3ccc(Cl)c(F)c3)C2)s1 ZINC000638801995 565211498 /nfs/dbraw/zinc/21/14/98/565211498.db2.gz DIJZFNKIIZUTLP-JTQLQIEISA-N 1 0 389.905 2.557 20 0 GFADRO C[NH2+][C@@H]1CCN(C(=O)Cc2ccc(Br)c(Br)c2)C1 ZINC000659300915 565212124 /nfs/dbraw/zinc/21/21/24/565212124.db2.gz SMYIEPXCOHCPEV-SNVBAGLBSA-N 1 0 376.092 2.574 20 0 GFADRO O=C(NCc1cccc2c1CC[NH2+]C2)c1[nH]nc(C2CC2)c1Br ZINC000638843241 565213918 /nfs/dbraw/zinc/21/39/18/565213918.db2.gz MIXJWILTOQZXCE-UHFFFAOYSA-N 1 0 375.270 2.625 20 0 GFADRO CC(C)([NH3+])c1cc(C(=O)N[C@@H]2[C@@H]3Cc4c(cccc4Br)[C@@H]32)on1 ZINC000638833151 565214021 /nfs/dbraw/zinc/21/40/21/565214021.db2.gz VWBICGWQZZGJST-WKPIXPDZSA-N 1 0 376.254 2.699 20 0 GFADRO Cc1c(Cl)cccc1NC(=O)CN1CCC[C@@H]1C(=O)N1CCSCC1 ZINC000591083857 565215527 /nfs/dbraw/zinc/21/55/27/565215527.db2.gz CSAPXWUALNLCLL-MRXNPFEDSA-N 1 0 381.929 2.627 20 0 GFADRO CN1CC[C@H]([NH2+][C@H]2CC(=O)N(C3CC3)C2)C[C@H]1c1ccc(Br)cc1 ZINC000638897258 565217218 /nfs/dbraw/zinc/21/72/18/565217218.db2.gz DWNSZWSOWXWSDN-BQFCYCMXSA-N 1 0 392.341 2.937 20 0 GFADRO O=C(NCC12CC(C1)C[NH2+]2)NCC1(c2ccc(Br)cc2)CCC1 ZINC000659440976 565218210 /nfs/dbraw/zinc/21/82/10/565218210.db2.gz MPEXSZIRYHKLQV-UHFFFAOYSA-N 1 0 378.314 2.922 20 0 GFADRO CC(C)[C@H]([NH3+])CCNC(=O)N[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000659449771 565218253 /nfs/dbraw/zinc/21/82/53/565218253.db2.gz QANFUOGTOUYZQG-GDBMZVCRSA-N 1 0 383.334 2.700 20 0 GFADRO O=C(NCC[C@H]1CC[NH2+]C1)N1CCOC[C@@H]1c1ccc(Br)cc1 ZINC000659513200 565218826 /nfs/dbraw/zinc/21/88/26/565218826.db2.gz HCBHDQVCONEGDK-CZUORRHYSA-N 1 0 382.302 2.532 20 0 GFADRO Cc1n[nH]c(CC[NH2+][C@H]2CCN(C)[C@@H](c3ccc(Br)cc3)C2)n1 ZINC000638949331 565218971 /nfs/dbraw/zinc/21/89/71/565218971.db2.gz ASLIXAJHRGPBHX-JKSUJKDBSA-N 1 0 378.318 2.843 20 0 GFADRO COc1ccc(C(=O)Nc2cc(N3CC[NH2+]CC3)ccn2)c(Br)c1 ZINC000638986680 565219629 /nfs/dbraw/zinc/21/96/29/565219629.db2.gz XNUAYDCSVBKWIM-UHFFFAOYSA-N 1 0 391.269 2.515 20 0 GFADRO O=C(NCCC1CC[NH2+]CC1)N1CCOc2cc(Br)ccc2C1 ZINC000659560951 565220062 /nfs/dbraw/zinc/22/00/62/565220062.db2.gz DSRLLVBGGRUFHD-UHFFFAOYSA-N 1 0 382.302 2.743 20 0 GFADRO CC(=O)N[C@H](CC(=O)NC1(C[NH3+])CCCCC1)c1ccc(Br)cc1 ZINC000639001178 565220170 /nfs/dbraw/zinc/22/01/70/565220170.db2.gz JZIVXZJUOLVAQR-MRXNPFEDSA-N 1 0 396.329 2.794 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CN(C(=O)NC(CCC(F)(F)F)CCC(F)(F)F)CCO1 ZINC000659605574 565221054 /nfs/dbraw/zinc/22/10/54/565221054.db2.gz MYMXCAOKBLOCBS-KOLCDFICSA-N 1 0 379.345 2.798 20 0 GFADRO C[C@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000659633718 565221479 /nfs/dbraw/zinc/22/14/79/565221479.db2.gz WYQIZJUCKJYCEZ-SECBINFHSA-N 1 0 384.267 2.850 20 0 GFADRO COC(=O)c1cc(NC(=O)N[C@@H](C)CCC[NH3+])c(Br)cc1F ZINC000591287332 565221953 /nfs/dbraw/zinc/22/19/53/565221953.db2.gz OHEYBKRVXFVSDS-QMMMGPOBSA-N 1 0 376.226 2.624 20 0 GFADRO COC(=O)c1cc(NC(=O)N[C@H](C[NH3+])C(C)(C)C)c(Br)cc1F ZINC000591287453 565222054 /nfs/dbraw/zinc/22/20/54/565222054.db2.gz YKKKCINZXAQBBF-GFCCVEGCSA-N 1 0 390.253 2.870 20 0 GFADRO COC(=O)c1cc(NC(=O)N2C[C@H](C[NH3+])C[C@@H]2C)c(Br)cc1F ZINC000591287373 565222067 /nfs/dbraw/zinc/22/20/67/565222067.db2.gz SHBOCYQEWNJMGW-IUCAKERBSA-N 1 0 388.237 2.576 20 0 GFADRO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N(Cc1cccc(Br)c1)C(C)C ZINC000659744554 565222677 /nfs/dbraw/zinc/22/26/77/565222677.db2.gz NCUIGXWVVBPQMQ-MRXNPFEDSA-N 1 0 398.345 2.676 20 0 GFADRO O=C(Nc1cccc(F)c1I)N[C@H]1CCC[NH2+]CC1 ZINC000591293974 565223018 /nfs/dbraw/zinc/22/30/18/565223018.db2.gz DJUIOFUQLLJIEK-VIFPVBQESA-N 1 0 377.201 2.694 20 0 GFADRO CC[C@H]1CN(C(=O)Nc2cccc(C(=O)OC)c2Br)CC[C@H]1[NH3+] ZINC000591302003 565223051 /nfs/dbraw/zinc/22/30/51/565223051.db2.gz LBZMWWQIBKMBHI-CMPLNLGQSA-N 1 0 384.274 2.827 20 0 GFADRO C[N@H+](CCNS(=O)(=O)c1cc(Br)c(F)cc1F)C1CCCC1 ZINC000591398637 565228376 /nfs/dbraw/zinc/22/83/76/565228376.db2.gz WIQUVAPSDMINHT-UHFFFAOYSA-N 1 0 397.285 2.880 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)c2cc(Br)cc3c2OCCO3)C1 ZINC000617340823 565232917 /nfs/dbraw/zinc/23/29/17/565232917.db2.gz GUVVQRQFHPTASO-GFCCVEGCSA-N 1 0 383.286 2.823 20 0 GFADRO C[C@H]1CCCN(C(=O)c2c(F)cccc2I)[C@@H]1C[NH3+] ZINC000591676345 565236547 /nfs/dbraw/zinc/23/65/47/565236547.db2.gz MUUADFVAERAKMI-JOYOIKCWSA-N 1 0 376.213 2.630 20 0 GFADRO C[NH+](C)C[C@H]1CCCCN1S(=O)(=O)Cc1cccc(Br)c1 ZINC000660009296 565238221 /nfs/dbraw/zinc/23/82/21/565238221.db2.gz PPTHWDRLQOZMBX-OAHLLOKOSA-N 1 0 375.332 2.695 20 0 GFADRO COc1nsc(CN2CCC[C@@H]([NH+]3CCOCC3)CC2)c1Br ZINC000639302863 565239349 /nfs/dbraw/zinc/23/93/49/565239349.db2.gz OQRKWFNSNOUXGX-GFCCVEGCSA-N 1 0 390.347 2.601 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+][C@@H]2CCN(c3ccc(Cl)cc3F)C2)s1 ZINC000639355801 565240926 /nfs/dbraw/zinc/24/09/26/565240926.db2.gz YRAQDKRCRBDJLL-LLVKDONJSA-N 1 0 389.905 2.557 20 0 GFADRO COc1cccc([C@@H](C[NH2+]Cc2cnn3cc(Br)cnc23)OC)c1 ZINC000639344213 565241089 /nfs/dbraw/zinc/24/10/89/565241089.db2.gz WSPCKKYACAAKJH-MRXNPFEDSA-N 1 0 391.269 2.978 20 0 GFADRO C[C@](CO)(Cc1ccc(F)cc1)[NH2+]Cc1cnn2cc(Br)cnc12 ZINC000639388228 565243585 /nfs/dbraw/zinc/24/35/85/565243585.db2.gz ZEXLXNDHAWNAJK-QGZVFWFLSA-N 1 0 393.260 2.714 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CN(C)C[C@H](O)C[C@](C)(O)C1CC1 ZINC000639447695 565246925 /nfs/dbraw/zinc/24/69/25/565246925.db2.gz OLYBPPGPOIRWBT-QAPCUYQASA-N 1 0 399.329 2.540 20 0 GFADRO C[N@@H+]1CCC[C@H](N2CCN(Cc3ncc(Br)cc3Cl)CC2)C1 ZINC000660075328 565248892 /nfs/dbraw/zinc/24/88/92/565248892.db2.gz XLCHCMALFMYBOG-AWEZNQCLSA-N 1 0 387.753 2.709 20 0 GFADRO COCC[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)c2ccc(Br)cc2)C1 ZINC000592096534 565255853 /nfs/dbraw/zinc/25/58/53/565255853.db2.gz PSRCROPUPDWXGV-MRXNPFEDSA-N 1 0 383.330 2.954 20 0 GFADRO COc1ccc(Br)cc1C(=O)CCC(=O)NCC[C@H](C)[NH+](C)C ZINC000617745024 565256384 /nfs/dbraw/zinc/25/63/84/565256384.db2.gz FCCUUPRTOMGWIU-LBPRGKRZSA-N 1 0 385.302 2.877 20 0 GFADRO C[C@@H](CCNC(=O)C1(c2ccc(Br)cc2)CCOCC1)[NH+](C)C ZINC000617752163 565257130 /nfs/dbraw/zinc/25/71/30/565257130.db2.gz KSXPMHIUMHVULS-AWEZNQCLSA-N 1 0 383.330 2.954 20 0 GFADRO C[C@H](C(=O)NCCN(C)CCC[NH+](C)C)c1ccc(Br)s1 ZINC000617766509 565258771 /nfs/dbraw/zinc/25/87/71/565258771.db2.gz NDRFLGMFSVXCLP-LBPRGKRZSA-N 1 0 376.364 2.614 20 0 GFADRO CN(CCC[NH+](C)C)CCNC(=O)c1cccc(Br)c1Cl ZINC000617765088 565258836 /nfs/dbraw/zinc/25/88/36/565258836.db2.gz SZZMBSILQNPAJU-UHFFFAOYSA-N 1 0 376.726 2.716 20 0 GFADRO C[NH+](C)C[C@@H]1COC2(CCCC2)CN1S(=O)(=O)c1ccc(F)c(Cl)c1 ZINC000660149203 565259540 /nfs/dbraw/zinc/25/95/40/565259540.db2.gz BNDQFAMFUAWZHK-CYBMUJFWSA-N 1 0 390.908 2.743 20 0 GFADRO C[C@@H]1[C@@H](c2ccc(Br)cc2)OCC[N@@H+]1C[C@H]1CCc2ncnn21 ZINC000639800658 565261378 /nfs/dbraw/zinc/26/13/78/565261378.db2.gz MGAHKNUHKNYRMQ-VMGRFDJRSA-N 1 0 377.286 2.990 20 0 GFADRO O[C@@H](COc1ccc(Br)cc1)C[N@@H+]1CCC[C@@H](n2ccnn2)CC1 ZINC000639814994 565263262 /nfs/dbraw/zinc/26/32/62/565263262.db2.gz ULNDCLXVEABJLW-HZPDHXFCSA-N 1 0 395.301 2.508 20 0 GFADRO CC(C)[C@@H]1CN(S(=O)(=O)c2c(Cl)cc(F)cc2Br)CC[NH2+]1 ZINC000660187499 565265312 /nfs/dbraw/zinc/26/53/12/565265312.db2.gz GMHKXGDTHQAJDR-LBPRGKRZSA-N 1 0 399.713 2.860 20 0 GFADRO CC[C@@H](C)[C@H]([NH3+])C(=O)NCc1ccc(I)c(Cl)c1 ZINC000592276250 565265976 /nfs/dbraw/zinc/26/59/76/565265976.db2.gz CKEJAIOMCJHBKG-PELKAZGASA-N 1 0 380.657 2.934 20 0 GFADRO CCN(C(=O)COc1ccc(Br)cc1C(C)=O)[C@@H]1CC[N@H+](CC)C1 ZINC000617924188 565267931 /nfs/dbraw/zinc/26/79/31/565267931.db2.gz POULDFXMWJFCGM-OAHLLOKOSA-N 1 0 397.313 2.973 20 0 GFADRO COc1cc(NC(=O)N2CCN(c3cc[nH+]cc3)CC2)ncc1Br ZINC000639963402 565269797 /nfs/dbraw/zinc/26/97/97/565269797.db2.gz INISPVQFDXNMAK-UHFFFAOYSA-N 1 0 392.257 2.602 20 0 GFADRO C[C@@H]1CC[C@](CO)([N@H+](C)CC(=O)c2c[nH]c3ncc(Br)cc23)C1 ZINC000660335814 565270828 /nfs/dbraw/zinc/27/08/28/565270828.db2.gz KMQYCDSZLGQUON-DIFFPNOSSA-N 1 0 380.286 2.991 20 0 GFADRO O=C(NCc1csc(Br)c1)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000660342357 565271308 /nfs/dbraw/zinc/27/13/08/565271308.db2.gz OOZBJTHZBSJYOD-ZDUSSCGKSA-N 1 0 388.331 2.563 20 0 GFADRO CCC1([NH+](C)C)CCN([C@H](C(N)=O)c2ccc(Br)cc2F)CC1 ZINC000640016635 565274155 /nfs/dbraw/zinc/27/41/55/565274155.db2.gz ACRJEIZXVUOVPH-HNNXBMFYSA-N 1 0 386.309 2.921 20 0 GFADRO OCCC1(CCO)CC[NH+](Cc2nc3ccc(Br)cc3o2)CC1 ZINC000640011734 565274468 /nfs/dbraw/zinc/27/44/68/565274468.db2.gz XNECCWHEDQQNGR-UHFFFAOYSA-N 1 0 383.286 2.937 20 0 GFADRO O=C(N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)C1(c2ccc(Br)cc2)CC1 ZINC000592406935 565275557 /nfs/dbraw/zinc/27/55/57/565275557.db2.gz SYRIMIFTNLIQNQ-IAGOWNOFSA-N 1 0 393.325 2.538 20 0 GFADRO COC[C@@H](C[NH2+][C@@H](CO)c1ccc(Br)cc1C(F)(F)F)OC ZINC000660460816 565276654 /nfs/dbraw/zinc/27/66/54/565276654.db2.gz ILVBHCCQFVLVQE-MFKMUULPSA-N 1 0 386.208 2.752 20 0 GFADRO CN(Cc1ccc(Br)s1)C(=O)c1cnn2c1[C@@H](C[NH3+])CCC2 ZINC000592480712 565278496 /nfs/dbraw/zinc/27/84/96/565278496.db2.gz QFYBDNOLVANHSS-SNVBAGLBSA-N 1 0 383.315 2.815 20 0 GFADRO O=C(NCc1ccccc1Br)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000660502851 565278792 /nfs/dbraw/zinc/27/87/92/565278792.db2.gz IDCJOUIPAJCMHH-OAHLLOKOSA-N 1 0 382.302 2.502 20 0 GFADRO CC(C)[C@H]1CN(CC(=O)c2c[nH]c3ncc(Br)cc23)CC[N@@H+]1C ZINC000640140952 565280210 /nfs/dbraw/zinc/28/02/10/565280210.db2.gz RACDUXGQVOFKSM-OAHLLOKOSA-N 1 0 379.302 2.780 20 0 GFADRO Cc1cc(Br)ccc1CNC(=O)c1cnn2c1[C@H](C[NH3+])CCC2 ZINC000592532576 565281103 /nfs/dbraw/zinc/28/11/03/565281103.db2.gz LKAREPLKMFJYPC-LBPRGKRZSA-N 1 0 377.286 2.720 20 0 GFADRO C[N@@H+]1CC[C@]2(CCN(CC(=O)c3c[nH]c4ncc(Br)cc34)C2)C1 ZINC000660614806 565285448 /nfs/dbraw/zinc/28/54/48/565285448.db2.gz ARYHBWUEALVSQZ-KRWDZBQOSA-N 1 0 377.286 2.536 20 0 GFADRO CS(=O)(=O)CC[C@H]1CCCC[N@@H+]1CC[C@H]1Sc2ccccc2NC1=O ZINC000660608968 565285679 /nfs/dbraw/zinc/28/56/79/565285679.db2.gz PCMHJQFRYMWYMI-RHSMWYFYSA-N 1 0 382.551 2.779 20 0 GFADRO C[C@@H](CNC(=O)Nc1cscc1Br)C[NH+]1CCN(C)CC1 ZINC000640188663 565286902 /nfs/dbraw/zinc/28/69/02/565286902.db2.gz BZXNBLGQHGHEPM-NSHDSACASA-N 1 0 375.336 2.516 20 0 GFADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)N1Cc2ccc(C)c(Br)c2C1 ZINC000660700702 565289452 /nfs/dbraw/zinc/28/94/52/565289452.db2.gz LYYMIBZLQZFNCZ-HNNXBMFYSA-N 1 0 396.329 2.894 20 0 GFADRO CC(C)C[NH2+]C1(CO)CCN(Cc2cn3cc(Br)ccc3n2)CC1 ZINC000660693894 565289570 /nfs/dbraw/zinc/28/95/70/565289570.db2.gz OOUAYVMCHWLKNE-UHFFFAOYSA-N 1 0 395.345 2.669 20 0 GFADRO C[C@H](CNC(=O)c1ccn(-c2cccc(Br)c2)n1)[NH+]1CCCC1 ZINC000592761277 565293350 /nfs/dbraw/zinc/29/33/50/565293350.db2.gz PIMQKOWTISXEOF-CYBMUJFWSA-N 1 0 377.286 2.849 20 0 GFADRO CC[N@@H+]1CCCN(C[C@@H](O)COc2cc(F)cc(Br)c2)[C@H](C)C1 ZINC000660788340 565293547 /nfs/dbraw/zinc/29/35/47/565293547.db2.gz YHKAGAYDGBXAHN-CZUORRHYSA-N 1 0 389.309 2.744 20 0 GFADRO C[C@@H](CCNC(=O)Nc1nn(CC(F)(F)F)cc1Cl)[NH+]1CCCCC1 ZINC000640296732 565295735 /nfs/dbraw/zinc/29/57/35/565295735.db2.gz PTIFMGYCNORFSA-NSHDSACASA-N 1 0 381.830 3.485 20 0 GFADRO Cn1cc(Br)c(NC(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)n1 ZINC000640310091 565298654 /nfs/dbraw/zinc/29/86/54/565298654.db2.gz UCMJFRZEGJDYRC-ZDUSSCGKSA-N 1 0 396.289 3.124 20 0 GFADRO CCCN(C(=O)c1ccc(I)c(F)c1)[C@@H]1CC[N@H+](C)C1 ZINC000592830124 565299181 /nfs/dbraw/zinc/29/91/81/565299181.db2.gz BSOMGTWMQDCDJT-GFCCVEGCSA-N 1 0 390.240 2.987 20 0 GFADRO CC1CC[NH+](C2CCC(NC(=O)Nc3nn(C)cc3Br)CC2)CC1 ZINC000640311904 565299764 /nfs/dbraw/zinc/29/97/64/565299764.db2.gz UOFJIOUDQGWJJY-UHFFFAOYSA-N 1 0 398.349 3.347 20 0 GFADRO O[C@H](COC[C@@H]1CCCO1)C[NH+]1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 ZINC000618466601 565302158 /nfs/dbraw/zinc/30/21/58/565302158.db2.gz RMSMFGVILGUVJL-NDBYEHHHSA-N 1 0 379.341 2.606 20 0 GFADRO CC[NH+]1CCN(CCNC(=O)c2cc(Br)cc3ccccc32)CC1 ZINC000592885671 565303114 /nfs/dbraw/zinc/30/31/14/565303114.db2.gz UDHRVXQFTWLOQR-UHFFFAOYSA-N 1 0 390.325 2.970 20 0 GFADRO CO[C@@H]1CCC[C@H]([C@H](CO)[NH2+]CC(=O)Nc2ccccc2Br)C1 ZINC000661220438 565314991 /nfs/dbraw/zinc/31/49/91/565314991.db2.gz OYAMCEPQMKZBPX-ZENOOKHLSA-N 1 0 385.302 2.543 20 0 GFADRO COC(=O)[C@@H]1C[N@@H+]([C@@H](C)C(=O)Nc2ccc(Br)cc2)C[C@H]1C1CC1 ZINC000593130752 565315599 /nfs/dbraw/zinc/31/55/99/565315599.db2.gz JHIXJCOQDGWDEK-KNXALSJPSA-N 1 0 395.297 2.907 20 0 GFADRO O=C(NCCc1cccc(Br)c1)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000661302778 565318111 /nfs/dbraw/zinc/31/81/11/565318111.db2.gz BITWXTZAJCQPLK-KRWDZBQOSA-N 1 0 396.329 2.544 20 0 GFADRO O[C@H](COC[C@@H]1CCCO1)C[NH+]1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000661376627 565321582 /nfs/dbraw/zinc/32/15/82/565321582.db2.gz FIKXFTHAUWLTNS-HOTGVXAUSA-N 1 0 389.323 2.672 20 0 GFADRO [NH3+][C@@H](c1cn(CC(=O)NC2CCCCC2)nn1)c1ccc(Br)cc1 ZINC000640769703 565325445 /nfs/dbraw/zinc/32/54/45/565325445.db2.gz SSURAOMNRNQLFC-QGZVFWFLSA-N 1 0 392.301 2.538 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+]CCOc2ccc(C(F)(F)F)cc2)s1 ZINC000593287018 565325876 /nfs/dbraw/zinc/32/58/76/565325876.db2.gz XWLJLTSQUNHUJA-UHFFFAOYSA-N 1 0 380.413 2.583 20 0 GFADRO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)NC(C)(C)COc1ncc(Cl)cc1Cl ZINC000640835471 565329993 /nfs/dbraw/zinc/32/99/93/565329993.db2.gz CFKAQEBBXHMVQX-MFKMUULPSA-N 1 0 375.300 2.986 20 0 GFADRO C[C@@H](NC(=O)Cn1cc([C@H]2CCC[NH2+]C2)nn1)c1ccc(Cl)cc1Cl ZINC000640838036 565330161 /nfs/dbraw/zinc/33/01/61/565330161.db2.gz ANEQDVRHVPYYOF-NEPJUHHUSA-N 1 0 382.295 2.929 20 0 GFADRO CN1CCN(c2cc[nH+]cc2NC(=O)c2cc(Br)ccc2F)CC1 ZINC000619176708 565330611 /nfs/dbraw/zinc/33/06/11/565330611.db2.gz GTSUIADEJCIHMD-UHFFFAOYSA-N 1 0 393.260 2.987 20 0 GFADRO C[C@@H]1C[NH+](C[C@@H](O)COc2ccc(Cl)cc2Br)C[C@@H](C)C1O ZINC000661631026 565331751 /nfs/dbraw/zinc/33/17/51/565331751.db2.gz MQGITRWUUMFXSS-NQBHXWOUSA-N 1 0 392.721 2.791 20 0 GFADRO CC[C@H](C)NC(=O)[C@@H](C)n1cc([C@H]([NH3+])c2ccc(Br)cc2)nn1 ZINC000640900844 565334709 /nfs/dbraw/zinc/33/47/09/565334709.db2.gz CXERJIAJPXSXQZ-FIXISWKDSA-N 1 0 380.290 2.564 20 0 GFADRO Cc1ccc(NC(=O)[C@H](C)n2cc(CCCC[NH3+])nn2)c(Br)c1 ZINC000640888943 565335281 /nfs/dbraw/zinc/33/52/81/565335281.db2.gz WAEJUOJAGGUUBH-LBPRGKRZSA-N 1 0 380.290 2.830 20 0 GFADRO CCCCNC(=O)[C@H](C)n1cc([C@H]([NH3+])c2ccc(Br)cc2)nn1 ZINC000640903939 565336059 /nfs/dbraw/zinc/33/60/59/565336059.db2.gz IXDNGHGTUYMULN-XHDPSFHLSA-N 1 0 380.290 2.566 20 0 GFADRO CS[C@@H]1CN(C(=O)c2cnc(-c3ccccc3Cl)nc2)C[C@@H]1[NH+](C)C ZINC000593562419 565341583 /nfs/dbraw/zinc/34/15/83/565341583.db2.gz VPUFRTIZBQYZHJ-JKSUJKDBSA-N 1 0 376.913 2.915 20 0 GFADRO CC(C)n1ccc(Cn2cc([C@@H]([NH3+])c3ccc(Br)cc3)nn2)n1 ZINC000641041289 565341925 /nfs/dbraw/zinc/34/19/25/565341925.db2.gz DBPSOCFFIMICDC-INIZCTEOSA-N 1 0 375.274 2.914 20 0 GFADRO O=C1CCCN1C[C@H]1CC[N@@H+](Cc2cc3c(cc2Br)OCCO3)C1 ZINC000662062918 565348992 /nfs/dbraw/zinc/34/89/92/565348992.db2.gz SFKJWGYHFDAOJD-ZDUSSCGKSA-N 1 0 395.297 2.665 20 0 GFADRO [NH3+][C@@H](Cc1cn(Cc2ncc(Br)s2)nn1)Cc1ccccc1 ZINC000641145996 565349200 /nfs/dbraw/zinc/34/92/00/565349200.db2.gz KSZOXLIHQJANPA-GFCCVEGCSA-N 1 0 378.299 2.658 20 0 GFADRO CC[N@H+](CCCNS(=O)(=O)c1ccsc1C(=O)OC)C1CCCCC1 ZINC000593627329 565349577 /nfs/dbraw/zinc/34/95/77/565349577.db2.gz PXYZENRZBGIJII-UHFFFAOYSA-N 1 0 388.555 2.858 20 0 GFADRO CCC[C@@H]([NH3+])c1cn([C@H]2CCc3cc(Br)ccc3NC2=O)nn1 ZINC000641164475 565351065 /nfs/dbraw/zinc/35/10/65/565351065.db2.gz OUBNAXSNYCPKNG-DOMZBBRYSA-N 1 0 378.274 2.967 20 0 GFADRO C[C@@H]1C[N@H+](C[C@H](O)COc2ccc(Cl)cc2Br)C[C@]1(C)CO ZINC000662136944 565351417 /nfs/dbraw/zinc/35/14/17/565351417.db2.gz WCXGDSBHYZFRMF-PVXIVEMSSA-N 1 0 392.721 2.793 20 0 GFADRO COCC[C@H]([NH3+])Cc1cn(Cc2oc3ccccc3c2Br)nn1 ZINC000641202049 565353422 /nfs/dbraw/zinc/35/34/22/565353422.db2.gz CBSARZHUSDMCSV-NSHDSACASA-N 1 0 379.258 2.741 20 0 GFADRO O[C@@H](COc1c(Cl)cccc1Cl)Cn1cc(C[C@@H]2CCC[NH2+]C2)nn1 ZINC000641201858 565353633 /nfs/dbraw/zinc/35/36/33/565353633.db2.gz GTYJUQDWZAOPSJ-GXTWGEPZSA-N 1 0 385.295 2.567 20 0 GFADRO C[NH+](C)CCCNC(=O)NC[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000619670364 565354461 /nfs/dbraw/zinc/35/44/61/565354461.db2.gz AUWYINHHYICXJF-AWEZNQCLSA-N 1 0 383.334 2.526 20 0 GFADRO CCN1C[C@@H](C[NH2+]Cc2c(F)ccc(I)c2F)CC1=O ZINC000593689073 565355937 /nfs/dbraw/zinc/35/59/37/565355937.db2.gz PSLDORQDGBPYBB-SECBINFHSA-N 1 0 394.203 2.527 20 0 GFADRO CCN1C[C@H](C[NH2+]Cc2c(F)ccc(I)c2F)CC1=O ZINC000593689074 565356294 /nfs/dbraw/zinc/35/62/94/565356294.db2.gz PSLDORQDGBPYBB-VIFPVBQESA-N 1 0 394.203 2.527 20 0 GFADRO Clc1ccc(CCN2CCN(C[C@@H]3CCC4(C[NH2+]C4)O3)CC2)cc1Cl ZINC000662278974 565357622 /nfs/dbraw/zinc/35/76/22/565357622.db2.gz CTBFKYHAUASTCO-INIZCTEOSA-N 1 0 384.351 2.675 20 0 GFADRO C[C@H](c1ccc(Br)cc1)N1CCN(C[C@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662264043 565358049 /nfs/dbraw/zinc/35/80/49/565358049.db2.gz POCYCGGUNJLRKR-CRAIPNDOSA-N 1 0 394.357 2.649 20 0 GFADRO OC[C@@H](CCF)[NH2+][C@@H]1CCCOc2ccc(I)cc21 ZINC000593718331 565358010 /nfs/dbraw/zinc/35/80/10/565358010.db2.gz FCIPYDTZVNUXBE-DGCLKSJQSA-N 1 0 379.213 2.815 20 0 GFADRO NC(=O)[C@@H](c1ccc(Br)cc1)N1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000662312308 565360413 /nfs/dbraw/zinc/36/04/13/565360413.db2.gz YBGNMRRYGBRESF-NXHRZFHOSA-N 1 0 379.298 2.868 20 0 GFADRO C[C@@]1(CS(=O)(=O)NCC2CC[NH+](Cc3cccs3)CC2)CC1(F)F ZINC000641307878 565360492 /nfs/dbraw/zinc/36/04/92/565360492.db2.gz LAHNASRSQDHXST-HNNXBMFYSA-N 1 0 378.510 2.925 20 0 GFADRO C[NH+](C)C1CC(NC(=O)c2cc(Cl)ccc2I)C1 ZINC000619872690 565361182 /nfs/dbraw/zinc/36/11/82/565361182.db2.gz GSLAANRYVQYIRB-UHFFFAOYSA-N 1 0 378.641 2.767 20 0 GFADRO Cc1ccc(NC(=O)[C@@H](C)N(C)[C@@H](C[NH3+])C(F)(F)F)c(Br)c1 ZINC000662332319 565361422 /nfs/dbraw/zinc/36/14/22/565361422.db2.gz WBZYSWYJVBPDPQ-SKDRFNHKSA-N 1 0 382.224 2.906 20 0 GFADRO O=C(NCCc1cc(Cl)c2c(c1)OCCO2)c1cc2c(s1)CC[NH2+]C2 ZINC000662356246 565361547 /nfs/dbraw/zinc/36/15/47/565361547.db2.gz NKODSLDHPJOFBV-UHFFFAOYSA-N 1 0 378.881 2.791 20 0 GFADRO C[C@@H](Cc1ccc(Br)cc1)NC(=O)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC000662387746 565364478 /nfs/dbraw/zinc/36/44/78/565364478.db2.gz VYUSYQLGYKDLLC-WCQYABFASA-N 1 0 377.286 2.610 20 0 GFADRO C[C@@H](Cc1ccc(Br)cc1)NC(=O)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC000662387739 565364668 /nfs/dbraw/zinc/36/46/68/565364668.db2.gz VYUSYQLGYKDLLC-AAEUAGOBSA-N 1 0 377.286 2.610 20 0 GFADRO N[C@@H](C(=O)NCC[N@@H+]1CCc2ccccc2C1)c1ccccc1Br ZINC000662378138 565364693 /nfs/dbraw/zinc/36/46/93/565364693.db2.gz ZWEANGAJRNUWQC-GOSISDBHSA-N 1 0 388.309 2.623 20 0 GFADRO CN[C@@H](C(=O)NCCC[NH2+]Cc1cccnc1)c1cccc(Cl)c1Cl ZINC000662398653 565366151 /nfs/dbraw/zinc/36/61/51/565366151.db2.gz ZVSMHUVYIHSCAD-QGZVFWFLSA-N 1 0 381.307 2.945 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)[C@@H]2CCO[C@H]2c2cncc(Br)c2)C1 ZINC000662419552 565366408 /nfs/dbraw/zinc/36/64/08/565366408.db2.gz JZZBXCRIUAKUCL-RKLWJJNISA-N 1 0 382.302 2.508 20 0 GFADRO O=C(c1sc2c(c1Br)CNC2)N1CCC([NH2+]CC2CC2)CC1 ZINC000662421024 565367636 /nfs/dbraw/zinc/36/76/36/565367636.db2.gz GSZGXUHPOUOFSJ-UHFFFAOYSA-N 1 0 384.343 2.718 20 0 GFADRO O=C(NCc1cc(Cl)c2c(c1)OCCCO2)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662453909 565368596 /nfs/dbraw/zinc/36/85/96/565368596.db2.gz YSTNEFRNCPWHFA-OAHLLOKOSA-N 1 0 378.778 2.660 20 0 GFADRO C[N@H+](CCNC(=O)[C@H](N)c1ccccc1Br)Cc1ccc(F)cc1 ZINC000662490412 565371091 /nfs/dbraw/zinc/37/10/91/565371091.db2.gz PRHARWFYBDLETL-QGZVFWFLSA-N 1 0 394.288 2.836 20 0 GFADRO CN[C@@H](C(=O)NC[C@]1([NH+](C)C)CCSC1)c1cccc(Cl)c1Cl ZINC000662489214 565371170 /nfs/dbraw/zinc/37/11/70/565371170.db2.gz KJWOYTRBOMYQKJ-GDBMZVCRSA-N 1 0 376.353 2.807 20 0 GFADRO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)[C@H](N)c2ccccc2Br)C1 ZINC000662487070 565371255 /nfs/dbraw/zinc/37/12/55/565371255.db2.gz SALCVWFGSUKDPV-WMLDXEAASA-N 1 0 380.330 2.639 20 0 GFADRO O=C(c1cc(Br)cc(N2CCCC2)c1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000662513920 565374059 /nfs/dbraw/zinc/37/40/59/565374059.db2.gz CESJWZPMYXQCSL-SFHVURJKSA-N 1 0 378.314 2.875 20 0 GFADRO COc1cc(Br)ccc1[C@@H](C)NC(=O)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC000662534409 565374325 /nfs/dbraw/zinc/37/43/25/565374325.db2.gz AREQBTKIUCMQIL-MNOVXSKESA-N 1 0 393.285 2.749 20 0 GFADRO O=C(NCCOc1ccc(Br)cc1)c1cccc2c1CC[NH2+]C2 ZINC000662543988 565376176 /nfs/dbraw/zinc/37/61/76/565376176.db2.gz PFFAZBWULWFJRU-UHFFFAOYSA-N 1 0 375.266 2.904 20 0 GFADRO C[C@@H]([NH3+])CNC(=O)N1CCC[C@H]1c1nc(-c2ccccc2Br)no1 ZINC000641494797 565377819 /nfs/dbraw/zinc/37/78/19/565377819.db2.gz ZWRCSFSIXOBQPT-MFKMUULPSA-N 1 0 394.273 2.693 20 0 GFADRO Cc1c(Br)cncc1C(=O)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000662580876 565378520 /nfs/dbraw/zinc/37/85/20/565378520.db2.gz DARNOSFGLSDOBD-XEZPLFJOSA-N 1 0 382.302 2.511 20 0 GFADRO COC(=O)c1cc(Br)cc(C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)c1 ZINC000594198673 565378599 /nfs/dbraw/zinc/37/85/99/565378599.db2.gz USPNWEJQSGYZRL-CVEARBPZSA-N 1 0 395.297 2.982 20 0 GFADRO COc1ccc(CN(C)C(=O)[C@@](C)([NH3+])c2ccc(Br)cc2)cn1 ZINC000662619100 565379134 /nfs/dbraw/zinc/37/91/34/565379134.db2.gz IRERSYPUIBRSET-KRWDZBQOSA-N 1 0 378.270 2.685 20 0 GFADRO C[C@H](CNC(=O)[C@]1(C(F)(F)F)CC[NH2+]C1)Oc1ccc(Br)cc1 ZINC000662632249 565379801 /nfs/dbraw/zinc/37/98/01/565379801.db2.gz OMAPERFBPBKASV-YGRLFVJLSA-N 1 0 395.219 2.875 20 0 GFADRO O=C(N[C@@H]1CCCN(c2ccccc2Cl)C1)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662726913 565383541 /nfs/dbraw/zinc/38/35/41/565383541.db2.gz JQDRDBAMPXQGOA-MLGOLLRUSA-N 1 0 375.822 2.967 20 0 GFADRO C[C@H]1[NH2+]CCN(C(=O)Cc2ccc(Br)c(Br)c2)[C@@H]1C ZINC000662772212 565384416 /nfs/dbraw/zinc/38/44/16/565384416.db2.gz DDCGYUTXRTUDFI-NXEZZACHSA-N 1 0 390.119 2.963 20 0 GFADRO O=C(N1CCOc2ccc(Br)cc2C1)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662811167 565385341 /nfs/dbraw/zinc/38/53/41/565385341.db2.gz WOYKTGCYMCOHIT-CQSZACIVSA-N 1 0 393.203 2.712 20 0 GFADRO O=C(CCc1cc(Br)ccc1F)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000620480689 565385881 /nfs/dbraw/zinc/38/58/81/565385881.db2.gz IWBDRRACVOQGCJ-INIZCTEOSA-N 1 0 399.304 2.578 20 0 GFADRO Cc1ccc([C@H](CNC(=O)CCn2cc(Br)cn2)[NH+](C)C)cc1 ZINC000620723121 565393829 /nfs/dbraw/zinc/39/38/29/565393829.db2.gz IENIELMFKNGBEP-INIZCTEOSA-N 1 0 379.302 2.763 20 0 GFADRO Cc1ccc([C@@H](CNC(=O)CCn2cc(Br)cn2)[NH+](C)C)cc1 ZINC000620723122 565393885 /nfs/dbraw/zinc/39/38/85/565393885.db2.gz IENIELMFKNGBEP-MRXNPFEDSA-N 1 0 379.302 2.763 20 0 GFADRO O=C(Cn1cc(Br)cn1)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000620736878 565396595 /nfs/dbraw/zinc/39/65/95/565396595.db2.gz DKSMSVNHZMUMAM-MRXNPFEDSA-N 1 0 391.313 2.674 20 0 GFADRO C[C@H]([NH2+][C@H]1CCc2c(nnn2C)C1)c1ccc(I)cc1 ZINC000594522712 565398415 /nfs/dbraw/zinc/39/84/15/565398415.db2.gz RUMWMBFWVHLIDB-GWCFXTLKSA-N 1 0 382.249 2.628 20 0 GFADRO Clc1scc(C[NH2+][C@@H]2CCCN(CCN3CCOCC3)C2)c1Cl ZINC000641787528 565399707 /nfs/dbraw/zinc/39/97/07/565399707.db2.gz USHJTRVCBSAMTP-CQSZACIVSA-N 1 0 378.369 2.941 20 0 GFADRO CC[C@@H]1CN(C(=O)C2CCN(C(=O)c3ccc(Cl)s3)CC2)C[C@H](C)[NH2+]1 ZINC000620904285 565401070 /nfs/dbraw/zinc/40/10/70/565401070.db2.gz KFCSFFPQLCPUDA-GXTWGEPZSA-N 1 0 383.945 2.853 20 0 GFADRO O=C(C1CC1)N1CCC([NH2+]C[C@@H](O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000641858036 565401190 /nfs/dbraw/zinc/40/11/90/565401190.db2.gz FAFJQJSCVXXJHJ-CQSZACIVSA-N 1 0 387.307 2.724 20 0 GFADRO COC(=O)[C@@H]1CC[N@H+](Cc2cn(-c3cccc(Br)c3)nc2C)C1 ZINC000594596807 565401953 /nfs/dbraw/zinc/40/19/53/565401953.db2.gz CFVWGJOZZQGRBF-CYBMUJFWSA-N 1 0 378.270 2.938 20 0 GFADRO COC(=O)c1ccc(CNC2CC[NH+]([C@@H]3CCOC3)CC2)c(Br)c1 ZINC000594607232 565402601 /nfs/dbraw/zinc/40/26/01/565402601.db2.gz QSJTYKXQLMHPMN-MRXNPFEDSA-N 1 0 397.313 2.579 20 0 GFADRO C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000594642127 565402727 /nfs/dbraw/zinc/40/27/27/565402727.db2.gz KSXJHXMKRBTDCN-YPMHNXCESA-N 1 0 384.307 2.712 20 0 GFADRO [NH3+]Cc1cn([C@@H]2CCCN(c3ncc(Br)c4ccsc43)C2)nn1 ZINC000663241624 565403284 /nfs/dbraw/zinc/40/32/84/565403284.db2.gz JRCHVQZJINWQRF-LLVKDONJSA-N 1 0 393.314 2.951 20 0 GFADRO C[NH+](C)CCC[C@@H]1CN(C(=O)Cc2ccc(F)c(Br)c2)CCO1 ZINC000620967507 565403540 /nfs/dbraw/zinc/40/35/40/565403540.db2.gz ICZZTRHRIKYXKU-CQSZACIVSA-N 1 0 387.293 2.700 20 0 GFADRO CC[NH2+]Cc1cn(Cc2ccc(I)c(Cl)c2)nn1 ZINC000594655603 565404023 /nfs/dbraw/zinc/40/40/23/565404023.db2.gz OOGWRLXIYVWPMC-UHFFFAOYSA-N 1 0 376.629 2.694 20 0 GFADRO O=C(CCc1ccc(Br)cc1F)NCCCC[NH+]1CCOCC1 ZINC000621038092 565404634 /nfs/dbraw/zinc/40/46/34/565404634.db2.gz OUXUAIZNUAPKEJ-UHFFFAOYSA-N 1 0 387.293 2.749 20 0 GFADRO CC[C@@H]1CN(C(=O)C(=O)N[C@@H](C)c2cc(F)c(Cl)cc2Cl)CC[C@H]1[NH3+] ZINC000642096169 565405672 /nfs/dbraw/zinc/40/56/72/565405672.db2.gz KQDLZRNYKMWBQZ-FEUHOPSXSA-N 1 0 390.286 2.896 20 0 GFADRO Cc1nn(-c2ccc(C(=O)NC[C@@H](C)[NH+](C)C)cc2)c(C)c1Br ZINC000642152393 565406180 /nfs/dbraw/zinc/40/61/80/565406180.db2.gz DMVQNFFTDUWVFS-LLVKDONJSA-N 1 0 379.302 2.932 20 0 GFADRO CC(C)[C@@H]1CN(C(=O)c2c(O)cnc3c(Br)cccc32)CC[NH2+]1 ZINC000621160002 565408471 /nfs/dbraw/zinc/40/84/71/565408471.db2.gz XBCWRIJEJZQOEJ-ZDUSSCGKSA-N 1 0 378.270 2.773 20 0 GFADRO CCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000642246649 565408744 /nfs/dbraw/zinc/40/87/44/565408744.db2.gz UGVAYERSKHMKTL-WCQYABFASA-N 1 0 379.306 2.729 20 0 GFADRO C[C@H](CNC(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1)[NH+](C)C ZINC000642212662 565408927 /nfs/dbraw/zinc/40/89/27/565408927.db2.gz PJFIYNMVDUNPJK-TZMCWYRMSA-N 1 0 386.323 2.912 20 0 GFADRO CN([C@@H](C[NH3+])C(F)(F)F)S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000663309059 565411821 /nfs/dbraw/zinc/41/18/21/565411821.db2.gz LGSNTFXQPCQJLO-VIFPVBQESA-N 1 0 384.729 2.869 20 0 GFADRO COCC1([NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)CCCCC1 ZINC000663337201 565413453 /nfs/dbraw/zinc/41/34/53/565413453.db2.gz NWYCEJSOTSLCHF-UHFFFAOYSA-N 1 0 391.331 2.535 20 0 GFADRO COc1cccc([C@@H](CNC(=O)c2cc(Br)c[nH]c2=O)[NH+](C)C)c1 ZINC000621261896 565413440 /nfs/dbraw/zinc/41/34/40/565413440.db2.gz HZZFTPQWJACYDV-OAHLLOKOSA-N 1 0 394.269 2.591 20 0 GFADRO Brc1cccc(Cc2nnn(Cc3cccc4c3CC[NH2+]C4)n2)c1 ZINC000663378340 565416101 /nfs/dbraw/zinc/41/61/01/565416101.db2.gz BAZFSAHVRUIGCV-UHFFFAOYSA-N 1 0 384.281 2.720 20 0 GFADRO CC[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCSc3ccc(Cl)cc32)CC[C@H]1[NH3+] ZINC000642692754 565416116 /nfs/dbraw/zinc/41/61/16/565416116.db2.gz YLSQGUOZPQEOQT-KCPJHIHWSA-N 1 0 381.929 2.579 20 0 GFADRO NC(=O)CC1(C[NH2+]C[C@@H](O)COc2ccc(Br)cc2)CCCCC1 ZINC000663376211 565416140 /nfs/dbraw/zinc/41/61/40/565416140.db2.gz DKWRFVCMQSUNQV-OAHLLOKOSA-N 1 0 399.329 2.604 20 0 GFADRO CC[NH+](CC)CCNC(=O)N1CCOC[C@@H]1c1ccc(Br)cc1 ZINC000663403008 565417975 /nfs/dbraw/zinc/41/79/75/565417975.db2.gz QTZJOUZZTRYYSR-MRXNPFEDSA-N 1 0 384.318 2.874 20 0 GFADRO CCOc1cncc(C[NH2+]C[C@H](O)COc2ccccc2Br)c1 ZINC000621341667 565421477 /nfs/dbraw/zinc/42/14/77/565421477.db2.gz WPJVGYUOGXTNEU-AWEZNQCLSA-N 1 0 381.270 2.772 20 0 GFADRO C[C@H](C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1)c1cccc(Br)c1 ZINC000643229817 565426544 /nfs/dbraw/zinc/42/65/44/565426544.db2.gz RSZZPXSJWTYYGG-SUMWQHHRSA-N 1 0 381.314 2.922 20 0 GFADRO C[C@H](CCCC[NH3+])NC(=O)C(=O)Nc1ccc(OC(F)(F)F)cc1Cl ZINC000663603778 565428022 /nfs/dbraw/zinc/42/80/22/565428022.db2.gz JKBSAQHVCJAAKD-SECBINFHSA-N 1 0 381.782 2.811 20 0 GFADRO O=C(CC[C@@H]1CCC[NH2+]C1)NCc1cc(Br)c2c(c1)OCCO2 ZINC000621629745 565434252 /nfs/dbraw/zinc/43/42/52/565434252.db2.gz IVFAYPAWOWYGKN-LBPRGKRZSA-N 1 0 383.286 2.616 20 0 GFADRO C[N@@H+]1CCC[C@@H](NC(=O)N2CCOC[C@@H]2c2ccc(Br)cc2)C1 ZINC000663775550 565434990 /nfs/dbraw/zinc/43/49/90/565434990.db2.gz YYWYHHXVETWYNU-HZPDHXFCSA-N 1 0 382.302 2.626 20 0 GFADRO O=C(c1cnn([C@H]2CCC[NH2+]C2)c1)N1CCc2cc(Br)ccc2C1 ZINC000643595644 565435232 /nfs/dbraw/zinc/43/52/32/565435232.db2.gz WLNPHLHHADWAMN-KRWDZBQOSA-N 1 0 389.297 2.769 20 0 GFADRO CCOC1CC(O)(C[NH2+]Cc2cc(Cl)ccc2I)C1 ZINC000594939059 565435725 /nfs/dbraw/zinc/43/57/25/565435725.db2.gz OIUUNCGFTPFKBM-UHFFFAOYSA-N 1 0 395.668 2.964 20 0 GFADRO O=C(c1[nH]nc(C2CC2)c1Br)N1CC[NH2+]C[C@H]1c1ccccc1 ZINC000643603840 565435645 /nfs/dbraw/zinc/43/56/45/565435645.db2.gz SZZWPBAXYSHLCM-ZDUSSCGKSA-N 1 0 375.270 2.836 20 0 GFADRO COC(=O)[C@@H]1C[C@H]1[C@@H](C)[NH2+]Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000594936578 565435915 /nfs/dbraw/zinc/43/59/15/565435915.db2.gz FIJNUCDHODAHOB-XFBWCDHKSA-N 1 0 378.270 2.922 20 0 GFADRO O=C1NCCC[C@H]1C[NH2+]Cc1cc(Cl)ccc1I ZINC000594945963 565437439 /nfs/dbraw/zinc/43/74/39/565437439.db2.gz KEEYXTXGAMDLFR-VIFPVBQESA-N 1 0 378.641 2.560 20 0 GFADRO COC[C@H]([NH2+]Cc1cccc(I)c1)C1CCOCC1 ZINC000594957661 565437635 /nfs/dbraw/zinc/43/76/35/565437635.db2.gz SJJAKTFDPTWIDN-HNNXBMFYSA-N 1 0 375.250 2.822 20 0 GFADRO CC(C)(NC(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1)c1ccc(Br)cc1 ZINC000643645498 565438029 /nfs/dbraw/zinc/43/80/29/565438029.db2.gz YKMPIAMKUZMYPR-CQSZACIVSA-N 1 0 392.301 2.630 20 0 GFADRO CSCC1(CC[NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)CC1 ZINC000594974895 565438178 /nfs/dbraw/zinc/43/81/78/565438178.db2.gz MZSXUECFQMGKDO-UHFFFAOYSA-N 1 0 393.372 2.719 20 0 GFADRO Cc1ccc([C@@H](CNC(=O)c2cc(Br)c[nH]c2=O)[NH+](C)C)cc1 ZINC000621752591 565439379 /nfs/dbraw/zinc/43/93/79/565439379.db2.gz ATZXOXINFNQZDL-OAHLLOKOSA-N 1 0 378.270 2.891 20 0 GFADRO COc1cc(N2CCN(c3cc[nH+]cc3OC)CC2)c(Br)cn1 ZINC000663868236 565440879 /nfs/dbraw/zinc/44/08/79/565440879.db2.gz VSBUGFJRRZCGSV-UHFFFAOYSA-N 1 0 379.258 2.583 20 0 GFADRO C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000621780456 565440907 /nfs/dbraw/zinc/44/09/07/565440907.db2.gz RPGJXUINXWPENZ-XUWXXGDYSA-N 1 0 380.330 2.609 20 0 GFADRO Cn1cnc(CCC[NH2+][C@@H]2CCc3ccc(I)cc32)n1 ZINC000595046792 565445427 /nfs/dbraw/zinc/44/54/27/565445427.db2.gz RVHLWKMGWSVNBM-CQSZACIVSA-N 1 0 382.249 2.629 20 0 GFADRO Cn1cnc(CCC[NH2+][C@H]2CCc3ccc(I)cc32)n1 ZINC000595046791 565445542 /nfs/dbraw/zinc/44/55/42/565445542.db2.gz RVHLWKMGWSVNBM-AWEZNQCLSA-N 1 0 382.249 2.629 20 0 GFADRO C[C@@H](CCNC(=O)N[C@H]1CCN(c2ccc(Br)cc2)C1)[NH+](C)C ZINC000663976580 565447840 /nfs/dbraw/zinc/44/78/40/565447840.db2.gz WNRXHTNWGDCWQG-ZFWWWQNUSA-N 1 0 383.334 2.667 20 0 GFADRO O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cc(Br)c[nH]c1=O ZINC000621985164 565452773 /nfs/dbraw/zinc/45/27/73/565452773.db2.gz WIYGDPACZBSUBH-CQSZACIVSA-N 1 0 390.281 2.802 20 0 GFADRO [NH3+][C@@]12CCC[C@H]1CN(Cc1ccc(Br)cc1N1CCOCC1)C2 ZINC000622004623 565454511 /nfs/dbraw/zinc/45/45/11/565454511.db2.gz RILAPISAOIECNA-MAUKXSAKSA-N 1 0 380.330 2.599 20 0 GFADRO [NH3+][C@]12CCC[C@@H]1CN(S(=O)(=O)c1cc(Cl)ccc1OC(F)(F)F)C2 ZINC000622014656 565455108 /nfs/dbraw/zinc/45/51/08/565455108.db2.gz JEIAXKHBVFMLPO-RNCFNFMXSA-N 1 0 384.807 2.741 20 0 GFADRO O=C(NCCCc1ccc(Br)cc1F)[C@@H]1C[NH2+]CCC1(F)F ZINC000644007195 565455190 /nfs/dbraw/zinc/45/51/90/565455190.db2.gz HQSJXENXRXVFOD-LBPRGKRZSA-N 1 0 379.220 2.882 20 0 GFADRO Cc1cc(COc2ccc(C(=O)N(C)CCC[NH3+])cc2Br)no1 ZINC000644067146 565456178 /nfs/dbraw/zinc/45/61/78/565456178.db2.gz FREIURLPPKEFRH-UHFFFAOYSA-N 1 0 382.258 2.745 20 0 GFADRO COC(=O)c1cc(F)c(Br)cc1NC(=O)N(C)CC(C)(C)[NH3+] ZINC000595231943 565456824 /nfs/dbraw/zinc/45/68/24/565456824.db2.gz JWGOBKVHVJMJFG-UHFFFAOYSA-N 1 0 376.226 2.576 20 0 GFADRO CN(CCC[NH3+])C(=O)c1nn(-c2ccc(Br)cc2)c2c1CCCC2 ZINC000644068435 565457775 /nfs/dbraw/zinc/45/77/75/565457775.db2.gz YNTBKWYOEZLVQZ-UHFFFAOYSA-N 1 0 391.313 2.934 20 0 GFADRO C[NH+]1CCC2(CCN(C(=O)c3cc4c(cc3Br)OCO4)C2)CC1 ZINC000622056935 565459096 /nfs/dbraw/zinc/45/90/96/565459096.db2.gz HGBMSJRVSLHZFJ-UHFFFAOYSA-N 1 0 381.270 2.736 20 0 GFADRO CO[C@H]1CCN(C(=O)c2cnn(-c3ccc(Cl)cc3Cl)c2)[C@@H](C[NH3+])C1 ZINC000644106273 565459493 /nfs/dbraw/zinc/45/94/93/565459493.db2.gz JYLLTELDCKHCBX-KGLIPLIRSA-N 1 0 383.279 2.757 20 0 GFADRO C[C@H](Oc1ccc(Cl)cc1Br)C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000644141172 565459843 /nfs/dbraw/zinc/45/98/43/565459843.db2.gz PRGYVHSIZRWBPP-LSJOCFKGSA-N 1 0 379.657 2.686 20 0 GFADRO [NH3+][C@H]1CCC[C@@H](CNC(=O)c2ncc(Br)cc2Br)C1 ZINC000644136412 565460116 /nfs/dbraw/zinc/46/01/16/565460116.db2.gz XIVGZTBZVOLQFT-SCZZXKLOSA-N 1 0 391.107 2.854 20 0 GFADRO O=C(N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1)[C@@H]1C[NH2+]CCC1(F)F ZINC000644151567 565461007 /nfs/dbraw/zinc/46/10/07/565461007.db2.gz WYSDGEADPDXYLJ-RYUDHWBXSA-N 1 0 378.250 2.933 20 0 GFADRO C[NH+](C)CCOc1ccc(NC(=O)c2cc(Br)c[nH]c2=O)cc1F ZINC000622101233 565462944 /nfs/dbraw/zinc/46/29/44/565462944.db2.gz ZLIZYZBIROYCLU-UHFFFAOYSA-N 1 0 398.232 2.882 20 0 GFADRO O=C(Nc1ccc(Br)cc1F)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000664453307 565463241 /nfs/dbraw/zinc/46/32/41/565463241.db2.gz ZIALLJDGAYKQSV-ZDUSSCGKSA-N 1 0 386.265 2.651 20 0 GFADRO O[C@@H]1CC[N@@H+](C2CCN(c3ncc(Br)cc3C(F)(F)F)CC2)C1 ZINC000664599251 565469473 /nfs/dbraw/zinc/46/94/73/565469473.db2.gz ZUIOMKXGBJSTIK-GFCCVEGCSA-N 1 0 394.235 2.898 20 0 GFADRO CC[NH+](CC)CCOCCNC(=O)NCc1sc(C)cc1Br ZINC000664647162 565471290 /nfs/dbraw/zinc/47/12/90/565471290.db2.gz LIRXTLTWSUDMAK-UHFFFAOYSA-N 1 0 392.363 2.977 20 0 GFADRO NC(=O)c1ncc(Br)cc1NC[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000664632382 565471365 /nfs/dbraw/zinc/47/13/65/565471365.db2.gz RSQQLKLKPCHCNW-AWEZNQCLSA-N 1 0 375.270 2.629 20 0 GFADRO C[C@@H](CCNC(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1)[NH+](C)C ZINC000664772007 565478081 /nfs/dbraw/zinc/47/80/81/565478081.db2.gz KWUKMKWVUNTFPM-DZGCQCFKSA-N 1 0 383.334 2.667 20 0 GFADRO CC(C)OCC[C@@H](O)C[NH2+]Cc1nnc2c(Cl)cc(C(F)(F)F)cn12 ZINC000644515349 565479040 /nfs/dbraw/zinc/47/90/40/565479040.db2.gz LUESGCYORAKPCB-LLVKDONJSA-N 1 0 380.798 2.667 20 0 GFADRO C[NH+](C)CCC[C@H]1CN(C(=O)NCc2cc(F)c(Cl)cc2F)CCO1 ZINC000664778647 565479205 /nfs/dbraw/zinc/47/92/05/565479205.db2.gz KJCHQTMJVAFHGE-ZDUSSCGKSA-N 1 0 375.847 2.870 20 0 GFADRO O[C@@H](C[NH2+][C@@H]1CCN(CC(F)(F)F)C1)COc1ccc(Cl)c(Cl)c1 ZINC000644532432 565480677 /nfs/dbraw/zinc/48/06/77/565480677.db2.gz JBOGBNQCKSJJIT-MNOVXSKESA-N 1 0 387.229 2.959 20 0 GFADRO CCCC[N@H+](C)C[C@H](C)NC(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000644589664 565483780 /nfs/dbraw/zinc/48/37/80/565483780.db2.gz PSMHASBQJFEPFK-AWEZNQCLSA-N 1 0 386.945 2.883 20 0 GFADRO O[C@@H](C[NH2+][C@H]1CCN(c2ccccn2)C1)COc1cc(Cl)ccc1Cl ZINC000644608479 565484298 /nfs/dbraw/zinc/48/42/98/565484298.db2.gz PZEGZZOVOGFCHT-GJZGRUSLSA-N 1 0 382.291 2.997 20 0 GFADRO O=C(Cc1noc2ccc(Br)cc21)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000644620060 565484914 /nfs/dbraw/zinc/48/49/14/565484914.db2.gz DTNCKMZAJFEGBX-ZDUSSCGKSA-N 1 0 378.270 2.830 20 0 GFADRO C[C@H]([NH2+]CCS(=O)(=O)c1cccc(Br)c1)[C@@H]1CCCCO1 ZINC000644616532 565484984 /nfs/dbraw/zinc/48/49/84/565484984.db2.gz LXONNIFOJLSYPB-WFASDCNBSA-N 1 0 376.316 2.770 20 0 GFADRO C[C@H]1CC([NH2+]CCS(=O)(=O)c2cccc(Br)c2)C[C@H](C)O1 ZINC000644612226 565485203 /nfs/dbraw/zinc/48/52/03/565485203.db2.gz RWZQHDOWTSQQQD-RYUDHWBXSA-N 1 0 376.316 2.768 20 0 GFADRO COC[C@H]([NH2+]Cc1ccc(C(=O)OC)cc1Br)C1CCOCC1 ZINC000595616874 565486147 /nfs/dbraw/zinc/48/61/47/565486147.db2.gz OOZWDUBEHNHVJC-INIZCTEOSA-N 1 0 386.286 2.767 20 0 GFADRO CO[C@@H](CC[NH2+]C[C@@H](O)COc1ccc(Br)cc1)C(F)(F)F ZINC000644630936 565486463 /nfs/dbraw/zinc/48/64/63/565486463.db2.gz JWXCBERLBRMBKM-YPMHNXCESA-N 1 0 386.208 2.746 20 0 GFADRO CC(C)(C[NH2+]CC1(O)CCS(=O)(=O)CC1)c1ccc(C(F)(F)F)cc1 ZINC000644630187 565486483 /nfs/dbraw/zinc/48/64/83/565486483.db2.gz KAWVVJREFMODLS-UHFFFAOYSA-N 1 0 379.444 2.512 20 0 GFADRO CCNC(=O)C1(C[NH2+]C[C@H](O)COc2ccc(Cl)cc2Cl)CCC1 ZINC000644632022 565486748 /nfs/dbraw/zinc/48/67/48/565486748.db2.gz RDKZAVUFPYHIEK-ZDUSSCGKSA-N 1 0 375.296 2.629 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S(=O)(=O)CC[NH2+]C[C@@H]1C[C@H]1C(C)C ZINC000644661432 565487982 /nfs/dbraw/zinc/48/79/82/565487982.db2.gz BRFPRHXFHVMJAY-HOTGVXAUSA-N 1 0 387.567 2.526 20 0 GFADRO NC(=O)Cc1ccc(C[NH2+]C[C@@H](O)COc2cc(Cl)ccc2Cl)cc1 ZINC000644649213 565487989 /nfs/dbraw/zinc/48/79/89/565487989.db2.gz JAKLUWDGKUBQNX-OAHLLOKOSA-N 1 0 383.275 2.551 20 0 GFADRO NC(=O)[C@H]1CC[C@H](C[NH2+]C[C@@H](O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000644674388 565489079 /nfs/dbraw/zinc/48/90/79/565489079.db2.gz YDOHZNMQFFJGQQ-JHJVBQTASA-N 1 0 375.296 2.614 20 0 GFADRO Cc1ccc(Br)c(CNC(=O)NCCN2C[C@H](C)OC[C@@H]2C)c1 ZINC000665141437 565491223 /nfs/dbraw/zinc/49/12/23/565491223.db2.gz BGMIHFUUSPZQBA-KBPBESRZSA-N 1 0 384.318 2.666 20 0 GFADRO O=C(c1nc(C2CC2)ncc1Br)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000623064744 565492632 /nfs/dbraw/zinc/49/26/32/565492632.db2.gz FNRJBIHNAPQUSY-KBPBESRZSA-N 1 0 393.329 2.968 20 0 GFADRO O=C(c1nc(C2CC2)ncc1Br)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000623060432 565492828 /nfs/dbraw/zinc/49/28/28/565492828.db2.gz LDIUWVDPGJUXMH-CYBMUJFWSA-N 1 0 379.302 2.578 20 0 GFADRO COC(=O)[C@@H](c1cc(Cl)cc(Cl)c1)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000595862578 565494922 /nfs/dbraw/zinc/49/49/22/565494922.db2.gz DJUNSHCPYJOENA-DLBZAZTESA-N 1 0 387.307 2.739 20 0 GFADRO CCOC(=O)CC1([NH2+]Cc2cn3cc(Br)ccc3n2)CCOCC1 ZINC000595874838 565495271 /nfs/dbraw/zinc/49/52/71/565495271.db2.gz XTFYZJKMLANIOQ-UHFFFAOYSA-N 1 0 396.285 2.689 20 0 GFADRO C[N@@H+]1C[C@H]2CCN(Cc3cc(Br)cc(Br)c3N)[C@H]2C1 ZINC000644842352 565496389 /nfs/dbraw/zinc/49/63/89/565496389.db2.gz XQGORAKDVXOWIX-RNCFNFMXSA-N 1 0 389.135 2.930 20 0 GFADRO O=C(N[C@H]1CC[NH2+]C12CCC2)N1CCc2ccc(F)c(Br)c2C1 ZINC000623180392 565499178 /nfs/dbraw/zinc/49/91/78/565499178.db2.gz BZPYKBQUMQSKDI-AWEZNQCLSA-N 1 0 382.277 2.941 20 0 GFADRO COc1cc2[nH+]ccc(N[C@H](C)[C@H]3CN(C)CCO3)c2cc1Br ZINC000644872457 565500531 /nfs/dbraw/zinc/50/05/31/565500531.db2.gz CMHBRNSAIROIAN-PIGZYNQJSA-N 1 0 380.286 2.559 20 0 GFADRO O=C(CCCCc1ccc(I)cc1)NCC12CC(C1)C[NH2+]2 ZINC000595951265 565502011 /nfs/dbraw/zinc/50/20/11/565502011.db2.gz OZLBLPUCFVVZOR-UHFFFAOYSA-N 1 0 398.288 2.872 20 0 GFADRO CCOC(=O)[C@]1(C)CCC[C@@H]1NC(=O)[C@](C)([NH3+])c1ccc(Br)cc1 ZINC000595950251 565502188 /nfs/dbraw/zinc/50/21/88/565502188.db2.gz RWCNLXCXJPBGGR-BMGDILEWSA-N 1 0 397.313 2.861 20 0 GFADRO CC(C)[C@H]([NH3+])CCNC(=O)CCC[S@](=O)c1ccc(Br)cc1 ZINC000595950722 565502392 /nfs/dbraw/zinc/50/23/92/565502392.db2.gz KTSFOQOFBWFCLI-QRQCRPRQSA-N 1 0 389.359 2.827 20 0 GFADRO COCC(C)(C)[NH+]1CCN(C[C@@H](O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000644946900 565503831 /nfs/dbraw/zinc/50/38/31/565503831.db2.gz QDWAJAPAYUNDFU-CQSZACIVSA-N 1 0 391.339 2.776 20 0 GFADRO C[C@]1(NC(=O)CCCCc2ccc(I)cc2)CC[NH2+]C1 ZINC000595993682 565504841 /nfs/dbraw/zinc/50/48/41/565504841.db2.gz ZNNFUQHVIJVPMU-INIZCTEOSA-N 1 0 386.277 2.872 20 0 GFADRO Cc1cc(Br)cc(C(=O)N2CCN(CC[NH+]3CCCC3)CC2)c1C ZINC000665577565 565504941 /nfs/dbraw/zinc/50/49/41/565504941.db2.gz XTBAEVJPZZGEQA-UHFFFAOYSA-N 1 0 394.357 2.920 20 0 GFADRO C[C@H](NC(=O)Nc1cnn(-c2cc[nH+]cc2)c1)c1ncc(Br)cn1 ZINC000645015401 565508136 /nfs/dbraw/zinc/50/81/36/565508136.db2.gz YIBGSDZANQPATK-JTQLQIEISA-N 1 0 388.229 2.703 20 0 GFADRO COCCCN(C)CC[NH2+]Cc1c[nH]nc1-c1ccc(Br)s1 ZINC000623431188 565510362 /nfs/dbraw/zinc/51/03/62/565510362.db2.gz XTSQFIXKNGRLHQ-UHFFFAOYSA-N 1 0 387.347 2.959 20 0 GFADRO COC(=O)C1CC[NH+](CCCNc2cc(OC)ncc2Br)CC1 ZINC000596075677 565511860 /nfs/dbraw/zinc/51/18/60/565511860.db2.gz JEUZOJBQVSQHSR-UHFFFAOYSA-N 1 0 386.290 2.540 20 0 GFADRO Cc1c(Cl)cc(NC(=O)N(CC[NH+](C)C)CC(=O)N(C)C)cc1Cl ZINC000665876802 565514501 /nfs/dbraw/zinc/51/45/01/565514501.db2.gz PGVFCEKPVYTTSF-UHFFFAOYSA-N 1 0 375.300 2.786 20 0 GFADRO CC[N@@H+]1CC[C@H]2OCCN(C[C@H](O)COc3ccc(Cl)cc3Cl)[C@H]2C1 ZINC000645178137 565515081 /nfs/dbraw/zinc/51/50/81/565515081.db2.gz YCRJZQJTEVXNGO-QILLFSRXSA-N 1 0 389.323 2.528 20 0 GFADRO C[C@@H](CCNC(=O)NCCc1ccc(I)s1)[NH+](C)C ZINC000596239805 565516618 /nfs/dbraw/zinc/51/66/18/565516618.db2.gz KFGYUEFZWKXSEP-JTQLQIEISA-N 1 0 395.310 2.535 20 0 GFADRO Cc1cc(Br)c(F)c(C(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)c1 ZINC000623551242 565518364 /nfs/dbraw/zinc/51/83/64/565518364.db2.gz QRYUMHAWYPVKKB-CYBMUJFWSA-N 1 0 387.293 2.983 20 0 GFADRO OC[C@]1([C@@H]([NH2+]Cc2cn3cc(Br)ccc3n2)C2CC2)CCCO1 ZINC000645264717 565518769 /nfs/dbraw/zinc/51/87/69/565518769.db2.gz FQJAOWCHHQMSEZ-IRXDYDNUSA-N 1 0 380.286 2.507 20 0 GFADRO Cc1cc(Br)c(C[NH2+]C[C@@H]2CCC(=O)N2)cc1Br ZINC000623571056 565519159 /nfs/dbraw/zinc/51/91/59/565519159.db2.gz KWLOVZINGPPSRB-JTQLQIEISA-N 1 0 376.092 2.888 20 0 GFADRO COCC[N@H+](C)CCNC(=O)N[C@@H](C)c1cc(F)c(Br)cc1F ZINC000623572147 565519616 /nfs/dbraw/zinc/51/96/16/565519616.db2.gz SJVUJMORNWNRPG-JTQLQIEISA-N 1 0 394.260 2.666 20 0 GFADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@@H]1CN(C)Cc2ccccc21 ZINC000666114691 565522819 /nfs/dbraw/zinc/52/28/19/565522819.db2.gz SWYNPXJSPGNJSD-CXAGYDPISA-N 1 0 376.298 2.776 20 0 GFADRO COc1ncc(Br)cc1C[NH2+]C1CCN(CC(F)(F)F)CC1 ZINC000623664396 565524477 /nfs/dbraw/zinc/52/44/77/565524477.db2.gz BUKIPMDEDQTDCH-UHFFFAOYSA-N 1 0 382.224 2.969 20 0 GFADRO CC(C)(C)[NH2+]CCNC(=O)C(=O)Nc1cc(Cl)ccc1OC(F)(F)F ZINC000645424495 565524863 /nfs/dbraw/zinc/52/48/63/565524863.db2.gz IXJRNSNNJNKNPH-UHFFFAOYSA-N 1 0 381.782 2.681 20 0 GFADRO COc1ncc(Br)cc1CNC(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000623707910 565526271 /nfs/dbraw/zinc/52/62/71/565526271.db2.gz PDDJLOJOQMGGIE-GFCCVEGCSA-N 1 0 385.306 2.526 20 0 GFADRO C[NH+](C)CCn1ccc(NC(=O)N[C@@H](CO)c2cccc(Cl)c2Cl)n1 ZINC000666184149 565526608 /nfs/dbraw/zinc/52/66/08/565526608.db2.gz XFFXGJNQHKMNJJ-ZDUSSCGKSA-N 1 0 386.283 2.607 20 0 GFADRO COc1ccc(C)cc1C[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000666220228 565528430 /nfs/dbraw/zinc/52/84/30/565528430.db2.gz JSZMDWXYWALAHZ-UHFFFAOYSA-N 1 0 399.310 2.703 20 0 GFADRO Cc1c(Br)cc(C[NH2+][C@@H]2CCOC[C@H]2O)cc1Br ZINC000623766683 565529340 /nfs/dbraw/zinc/52/93/40/565529340.db2.gz KJRJJFUWRZFQCG-CHWSQXEVSA-N 1 0 379.092 2.759 20 0 GFADRO Fc1cccc(C[NH2+]C[C@H]2CN(Cc3ccncc3)CCO2)c1Br ZINC000623782354 565529868 /nfs/dbraw/zinc/52/98/68/565529868.db2.gz QIPFRHOXISIDDD-INIZCTEOSA-N 1 0 394.288 2.974 20 0 GFADRO CC[C@H](CNS(C)(=O)=O)[NH2+][C@H](C)c1cc(F)c(Br)cc1F ZINC000623993478 565539084 /nfs/dbraw/zinc/53/90/84/565539084.db2.gz TYVTZOBFFJCENK-RKDXNWHRSA-N 1 0 385.274 2.706 20 0 GFADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]Cc1c(C(F)(F)F)cnn1C ZINC000624053983 565541683 /nfs/dbraw/zinc/54/16/83/565541683.db2.gz UIRWYNLMAPQCLG-SECBINFHSA-N 1 0 393.207 2.541 20 0 GFADRO C[N@@H+]1C[C@@H]2CCN(C(=O)C(=O)Nc3cc(Cl)c(Cl)cc3Cl)[C@@H]2C1 ZINC000645622938 565545365 /nfs/dbraw/zinc/54/53/65/565545365.db2.gz OBWSBWNHNOGQLY-ISVAXAHUSA-N 1 0 376.671 2.748 20 0 GFADRO C[N@@H+]1C[C@H]2CCN(C(=O)C(=O)Nc3cc(Cl)c(Cl)cc3Cl)[C@H]2C1 ZINC000645622941 565545404 /nfs/dbraw/zinc/54/54/04/565545404.db2.gz OBWSBWNHNOGQLY-OQPBUACISA-N 1 0 376.671 2.748 20 0 GFADRO Cc1c(Br)cncc1C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000666639708 565545841 /nfs/dbraw/zinc/54/58/41/565545841.db2.gz LJFFQNOOJYJQSS-UHFFFAOYSA-N 1 0 389.297 2.942 20 0 GFADRO Cc1cc(Br)c(CNC(=O)NCCN2C[C@@H](C)OC[C@H]2C)s1 ZINC000666637956 565545943 /nfs/dbraw/zinc/54/59/43/565545943.db2.gz PERYBILZWXPUOK-GHMZBOCLSA-N 1 0 390.347 2.727 20 0 GFADRO CCN(C(=O)Nc1cc(Br)cnc1-n1cccn1)[C@@H]1CC[N@H+](C)C1 ZINC000666682365 565547687 /nfs/dbraw/zinc/54/76/87/565547687.db2.gz LRBQHIPTHFOPGU-CYBMUJFWSA-N 1 0 393.289 2.588 20 0 GFADRO CN(C)C[C@@H]([NH2+]C1CCN(S(C)(=O)=O)CC1)c1ccc(Cl)c(Cl)c1 ZINC000624191226 565547921 /nfs/dbraw/zinc/54/79/21/565547921.db2.gz AVKQKMQLOVVEEJ-MRXNPFEDSA-N 1 0 394.368 2.610 20 0 GFADRO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)Nc1nc(-c2ccsc2)ns1 ZINC000666682042 565548075 /nfs/dbraw/zinc/54/80/75/565548075.db2.gz IDLDPRUCWSPOAG-LBPRGKRZSA-N 1 0 382.559 2.660 20 0 GFADRO COC(=O)c1oc(C[NH2+]CCNC(=O)c2ccc(Br)cc2)cc1C ZINC000597048107 565549432 /nfs/dbraw/zinc/54/94/32/565549432.db2.gz AAIIISBOEPBPTP-UHFFFAOYSA-N 1 0 395.253 2.657 20 0 GFADRO CC(C)[N@H+](C)CCNS(=O)(=O)c1ccc2c(Br)cn(C)c2c1 ZINC000645667833 565549495 /nfs/dbraw/zinc/54/94/95/565549495.db2.gz QWPGUKZUQOXAMR-UHFFFAOYSA-N 1 0 388.331 2.559 20 0 GFADRO C[NH2+]C[C@@H]1CCCN(S(=O)(=O)c2cc(F)c(Br)cc2C)C1 ZINC000624351951 565552509 /nfs/dbraw/zinc/55/25/09/565552509.db2.gz CGASPXJSOIOTRA-NSHDSACASA-N 1 0 379.295 2.517 20 0 GFADRO Cc1cc(Br)c(F)cc1S(=O)(=O)N[C@H]1CC[NH2+]CC1(C)C ZINC000624370342 565553067 /nfs/dbraw/zinc/55/30/67/565553067.db2.gz HAELAJZIPKLGSI-ZDUSSCGKSA-N 1 0 379.295 2.563 20 0 GFADRO Cc1cc(Br)c(F)cc1S(=O)(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000624370861 565553430 /nfs/dbraw/zinc/55/34/30/565553430.db2.gz YZIOAQBFZRZOFR-ONGXEEELSA-N 1 0 379.295 2.502 20 0 GFADRO Cc1cc(S(=O)(=O)N2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)sc1Cl ZINC000624391908 565554456 /nfs/dbraw/zinc/55/44/56/565554456.db2.gz GHKQBOKGGPCIDW-IUCAKERBSA-N 1 0 376.853 2.858 20 0 GFADRO [NH3+]C[C@H]1CN(S(=O)(=O)Cc2cc(F)ccc2Cl)CC[C@@H]1C(F)(F)F ZINC000624391697 565554866 /nfs/dbraw/zinc/55/48/66/565554866.db2.gz BJZWGXUDBGPOIR-JQWIXIFHSA-N 1 0 388.814 2.768 20 0 GFADRO [NH3+]C[C@@H]1CN(S(=O)(=O)Cc2ccc(Cl)c(F)c2)CC[C@H]1C(F)(F)F ZINC000624392558 565555839 /nfs/dbraw/zinc/55/58/39/565555839.db2.gz UEPFEZGEUQSHDE-GHMZBOCLSA-N 1 0 388.814 2.768 20 0 GFADRO C[C@@]([NH3+])(C(=O)N1CCC[C@@H](c2cc[nH]n2)C1)c1ccc(Br)cc1 ZINC000645774797 565560806 /nfs/dbraw/zinc/56/08/06/565560806.db2.gz HQCILDXEJXIUIB-PXAZEXFGSA-N 1 0 377.286 2.752 20 0 GFADRO COc1ccc(CCC(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)c(Br)c1 ZINC000666915061 565562329 /nfs/dbraw/zinc/56/23/29/565562329.db2.gz QMISVSMKKDYYEM-CYBMUJFWSA-N 1 0 381.314 2.991 20 0 GFADRO Cc1ccc(Cl)c(S(=O)(=O)N2CCOC3(CC[NH+](C)CC3)C2)c1Cl ZINC000645856174 565568129 /nfs/dbraw/zinc/56/81/29/565568129.db2.gz NNMFJHOBRCMSBJ-UHFFFAOYSA-N 1 0 393.336 2.787 20 0 GFADRO CC[NH+]1CCC(CNC(=O)[C@@H]2CCO[C@H]2c2cncc(Br)c2)CC1 ZINC000667112007 565570285 /nfs/dbraw/zinc/57/02/85/565570285.db2.gz RPEADORCLBQWKH-SJORKVTESA-N 1 0 396.329 2.770 20 0 GFADRO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1cc(I)ccc1F ZINC000597700977 565570524 /nfs/dbraw/zinc/57/05/24/565570524.db2.gz PQRQYDDAPCBAFC-RNCFNFMXSA-N 1 0 376.213 2.595 20 0 GFADRO O=C(NCC[NH2+]C1CC1)Nc1ccc(CCn2cc(Br)cn2)cc1 ZINC000667134450 565572525 /nfs/dbraw/zinc/57/25/25/565572525.db2.gz BQFNVHODBXCEMR-UHFFFAOYSA-N 1 0 392.301 2.762 20 0 GFADRO C[C@@H](CN(C)C(=O)NC[C@@H]1COCCN1C)Oc1ccc(Cl)c(Cl)c1 ZINC000624727416 565573412 /nfs/dbraw/zinc/57/34/12/565573412.db2.gz AIQQULXANYEJLN-QWHCGFSZSA-N 1 0 390.311 2.733 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CN(C(=O)Nc2cc(Br)c(F)cc2Cl)CCO1 ZINC000667183607 565574933 /nfs/dbraw/zinc/57/49/33/565574933.db2.gz KCMPGTCORSYRAJ-MADCSZMMSA-N 1 0 380.645 2.822 20 0 GFADRO O=C(Nc1cccc(Oc2ncc(Br)cn2)c1)NC1CC[NH2+]CC1 ZINC000667236610 565578798 /nfs/dbraw/zinc/57/87/98/565578798.db2.gz OMHRQADEYXACBC-UHFFFAOYSA-N 1 0 392.257 2.905 20 0 GFADRO O=C(NC[C@H]1CCCC[NH2+]1)C(=O)Nc1cccnc1-c1ccc(Cl)s1 ZINC000667265996 565580054 /nfs/dbraw/zinc/58/00/54/565580054.db2.gz JBDCCLAMHVQPRA-LLVKDONJSA-N 1 0 378.885 2.660 20 0 GFADRO CN1CCN(C(=O)Nc2ccc(C(F)(F)F)cc2Br)[C@@H](C[NH3+])C1 ZINC000667272942 565580414 /nfs/dbraw/zinc/58/04/14/565580414.db2.gz WRYGPCQOOJQDAT-JTQLQIEISA-N 1 0 395.223 2.575 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)c2csc(I)c2)C1 ZINC000597925448 565582895 /nfs/dbraw/zinc/58/28/95/565582895.db2.gz VJVXAOBHXNQTDZ-SNVBAGLBSA-N 1 0 378.279 2.955 20 0 GFADRO CCCC[C@H](C[NH3+])NC(=O)C(=O)Nc1ccccc1SCC(F)(F)F ZINC000667395417 565584338 /nfs/dbraw/zinc/58/43/38/565584338.db2.gz YRLRXOMWILNDTJ-LLVKDONJSA-N 1 0 377.432 2.913 20 0 GFADRO O=C(Cc1csc(-c2ccc(Cl)s2)n1)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000646121651 565587715 /nfs/dbraw/zinc/58/77/15/565587715.db2.gz NIYMKZLWPVYFFU-ZDUSSCGKSA-N 1 0 396.969 2.574 20 0 GFADRO CCN(C(=O)c1csc(I)c1)[C@H]1CC[N@H+](CC)C1 ZINC000598039501 565589685 /nfs/dbraw/zinc/58/96/85/565589685.db2.gz KYABHUFIPYZKOJ-NSHDSACASA-N 1 0 378.279 2.909 20 0 GFADRO COc1ccc(Br)c(C(=O)NCCC[NH2+]Cc2nccs2)c1 ZINC000598036888 565589965 /nfs/dbraw/zinc/58/99/65/565589965.db2.gz OUBVDZWFEHNZSN-UHFFFAOYSA-N 1 0 384.299 2.824 20 0 GFADRO CC[C@H](CO)[NH+]1CCN(C(=O)Nc2ccc(Br)c(F)c2C)CC1 ZINC000667501204 565590082 /nfs/dbraw/zinc/59/00/82/565590082.db2.gz QELMQEVNCFPDTR-GFCCVEGCSA-N 1 0 388.281 2.817 20 0 GFADRO O=C(Nc1cccc(Cl)c1SCC(F)F)C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000667505874 565591570 /nfs/dbraw/zinc/59/15/70/565591570.db2.gz FDNUWKLARCBIBR-JTQLQIEISA-N 1 0 391.871 2.894 20 0 GFADRO O=C(CSCc1cscn1)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000598062618 565591921 /nfs/dbraw/zinc/59/19/21/565591921.db2.gz SAEBEWRFTJJIBZ-UHFFFAOYSA-N 1 0 376.551 2.800 20 0 GFADRO CC(C)(C(=O)N[C@@H](CO)C[NH+]1CCCC1)c1csc(-c2cccs2)n1 ZINC000646221183 565591978 /nfs/dbraw/zinc/59/19/78/565591978.db2.gz ASXLUDHAWMLRQI-CYBMUJFWSA-N 1 0 379.551 2.722 20 0 GFADRO [NH3+]C[C@H]1CCN(C(=O)Nc2ccc(-c3ccc(Br)s3)nn2)C1 ZINC000667529437 565593530 /nfs/dbraw/zinc/59/35/30/565593530.db2.gz ISLNFJCIJKHKNX-SECBINFHSA-N 1 0 382.287 2.780 20 0 GFADRO COc1ccc(Br)cc1C(=O)CCC(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000646338427 565597613 /nfs/dbraw/zinc/59/76/13/565597613.db2.gz MEGJAKCKTIONCM-DOMZBBRYSA-N 1 0 395.297 2.631 20 0 GFADRO O=C(CCCCc1ccc(Br)cc1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000646364368 565599693 /nfs/dbraw/zinc/59/96/93/565599693.db2.gz RRBNBYSUUFAPAW-SFHVURJKSA-N 1 0 394.357 2.668 20 0 GFADRO C[C@H](Oc1cccc(Br)c1)C(=O)N1CCOC[C@@H]1[C@H]1CCC[N@@H+]1C ZINC000646445550 565603505 /nfs/dbraw/zinc/60/35/05/565603505.db2.gz SVRMFPMNWLUGDG-IAOVAPTHSA-N 1 0 397.313 2.538 20 0 GFADRO O=C(NCc1cc(Br)ccc1F)Nc1cnc2c(c1)C[NH2+]CC2 ZINC000667792311 565605144 /nfs/dbraw/zinc/60/51/44/565605144.db2.gz VEHILFAQJXRKEY-UHFFFAOYSA-N 1 0 379.233 2.951 20 0 GFADRO CCC[N@@H+]1CC[C@H](NC(=O)c2cc(F)ccc2I)C1 ZINC000598342014 565609941 /nfs/dbraw/zinc/60/99/41/565609941.db2.gz JUPBJNSDOZEPJL-NSHDSACASA-N 1 0 376.213 2.644 20 0 GFADRO COc1ccccc1[C@H]([NH3+])CNC(=O)c1cc2sc(N(C)C)nc2s1 ZINC000646604133 565610443 /nfs/dbraw/zinc/61/04/43/565610443.db2.gz YBUCOOIISOCBOG-LLVKDONJSA-N 1 0 376.507 2.862 20 0 GFADRO O=S(=O)(c1ccc(CC[NH2+][C@H]2CO[C@H](C3CC3)C2)s1)N1CCCCC1 ZINC000667883828 565610956 /nfs/dbraw/zinc/61/09/56/565610956.db2.gz CSHVLDNGHRPBGQ-WBVHZDCISA-N 1 0 384.567 2.622 20 0 GFADRO Cc1cc(Br)c(F)cc1S(=O)(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000625255388 565612729 /nfs/dbraw/zinc/61/27/29/565612729.db2.gz SYJFNVMEDXDNKV-NSHDSACASA-N 1 0 379.295 2.611 20 0 GFADRO Cn1ccnc1[C@@H]1CC[N@@H+]([C@@H]2CCc3cc(Br)ccc3NC2=O)C1 ZINC000625265982 565613547 /nfs/dbraw/zinc/61/35/47/565613547.db2.gz KPQQBCDADBGDBH-CZUORRHYSA-N 1 0 389.297 2.925 20 0 GFADRO C[N@H+](CCCO)C1CCN(C(=O)Nc2cccc(Br)c2F)CC1 ZINC000667923302 565614198 /nfs/dbraw/zinc/61/41/98/565614198.db2.gz JVEFCMLUHSMYMS-UHFFFAOYSA-N 1 0 388.281 2.899 20 0 GFADRO CCO[C@@H](CS(=O)(=O)NC[C@H](C[NH+](C)C)c1ccc(Cl)cc1)C1CC1 ZINC000625264708 565614217 /nfs/dbraw/zinc/61/42/17/565614217.db2.gz KIZZBOWVXVBMBY-AEFFLSMTSA-N 1 0 388.961 2.720 20 0 GFADRO O=C(NCCCC[N@H+]1CCC[C@H]1CO)Nc1cccc(Br)c1F ZINC000667923901 565614756 /nfs/dbraw/zinc/61/47/56/565614756.db2.gz YRMJVTMYCQHRJX-LBPRGKRZSA-N 1 0 388.281 2.947 20 0 GFADRO CCCN(C(=O)C(=O)Nc1ccc(C)c(Br)c1)[C@H]1CC[N@H+](C)C1 ZINC000646768257 565617896 /nfs/dbraw/zinc/61/78/96/565617896.db2.gz SZAVEIMQWUIXAC-AWEZNQCLSA-N 1 0 382.302 2.639 20 0 GFADRO Cc1cc(C(=O)N2CCO[C@H]([C@@H](C)[NH3+])C2)nn1-c1ccc(Cl)c(Cl)c1 ZINC000646844002 565621838 /nfs/dbraw/zinc/62/18/38/565621838.db2.gz NGMTXUOKCPCPJH-BZNIZROVSA-N 1 0 383.279 2.676 20 0 GFADRO O=C(c1cc(Br)cc2[nH]c(=O)[nH]c21)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000646847177 565622971 /nfs/dbraw/zinc/62/29/71/565622971.db2.gz SURIGFGBVXQQRI-NSHDSACASA-N 1 0 393.285 2.589 20 0 GFADRO C[N@@H+]1C[C@@H]2CCN(C(=O)c3nn(-c4ccc(F)cc4)cc3Br)[C@@H]2C1 ZINC000646927592 565626671 /nfs/dbraw/zinc/62/66/71/565626671.db2.gz NXYBEMICERXYEU-XHDPSFHLSA-N 1 0 393.260 2.550 20 0 GFADRO Cc1cc(C(=O)N2CC[C@H]3C[N@@H+](C)C[C@@H]32)nn1-c1ccc(Br)cc1 ZINC000646924158 565627097 /nfs/dbraw/zinc/62/70/97/565627097.db2.gz CFSRWSQPCXIGMA-GUYCJALGSA-N 1 0 389.297 2.719 20 0 GFADRO C[N@@H+]1CCCC[C@@H](CNS(=O)(=O)c2ccc(Br)c(F)c2)C1 ZINC000625420070 565627961 /nfs/dbraw/zinc/62/79/61/565627961.db2.gz CYLBKMCUNZTTOK-NSHDSACASA-N 1 0 379.295 2.598 20 0 GFADRO CC(C)[C@@H]1CN(C(=O)c2ccc(F)cc2I)CC[NH2+]1 ZINC000598573823 565628035 /nfs/dbraw/zinc/62/80/35/565628035.db2.gz PIALQTCUZMDXLM-ZDUSSCGKSA-N 1 0 376.213 2.500 20 0 GFADRO C[N@@H+]1CCCC[C@@H](CNS(=O)(=O)Cc2cccc(Br)c2)C1 ZINC000625424718 565630004 /nfs/dbraw/zinc/63/00/04/565630004.db2.gz KCYMRJSJZBPJIB-AWEZNQCLSA-N 1 0 375.332 2.600 20 0 GFADRO COc1ccc(Br)cc1C(=O)CCC(=O)N1CCC(C)([NH3+])CC1 ZINC000646993091 565631431 /nfs/dbraw/zinc/63/14/31/565631431.db2.gz HCCXESYSRXLELG-UHFFFAOYSA-N 1 0 383.286 2.760 20 0 GFADRO O=C(N[C@H]1CCN(c2ccc(Br)cc2)C1)[C@@H]1CCc2nc[nH]c2C1 ZINC000668190061 565632244 /nfs/dbraw/zinc/63/22/44/565632244.db2.gz YGMMYXHKHFKNQX-OCCSQVGLSA-N 1 0 389.297 2.672 20 0 GFADRO Cn1c(CN2CCC([NH+]3CCOCC3)CC2)nc2ccc(Br)cc21 ZINC000625547158 565637770 /nfs/dbraw/zinc/63/77/70/565637770.db2.gz YSBASJJJYCTTRX-UHFFFAOYSA-N 1 0 393.329 2.632 20 0 GFADRO C[C@@H](CNC(=O)[C@@H]1CCO[C@H]1c1cncc(Br)c1)[NH+]1CCCC1 ZINC000668297129 565638639 /nfs/dbraw/zinc/63/86/39/565638639.db2.gz IJAXERFWFCWYSO-MAZHCROVSA-N 1 0 382.302 2.522 20 0 GFADRO C[C@H](c1nc([C@@H]2CCC[NH2+]2)no1)N1C(=O)c2ccc(Br)cc2C1=O ZINC000647148767 565641423 /nfs/dbraw/zinc/64/14/23/565641423.db2.gz XIKPBPLLXITVSY-PELKAZGASA-N 1 0 391.225 2.614 20 0 GFADRO COc1cc(C)c(S(=O)(=O)NC[C@@H]([NH3+])c2ccccc2OC)cc1Cl ZINC000647187364 565643881 /nfs/dbraw/zinc/64/38/81/565643881.db2.gz LQAHPPGDJSGMKF-CQSZACIVSA-N 1 0 384.885 2.644 20 0 GFADRO O=S(=O)(c1cc(Br)ccc1F)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000647237588 565648391 /nfs/dbraw/zinc/64/83/91/565648391.db2.gz HGWLWAIHTBTIMB-BXUZGUMPSA-N 1 0 391.306 2.741 20 0 GFADRO C[C@@H](Cc1ccc(O)cc1)[NH2+]CCNC(=O)c1ccc(Br)cn1 ZINC000668459868 565648942 /nfs/dbraw/zinc/64/89/42/565648942.db2.gz OKQVTGASZICPGH-LBPRGKRZSA-N 1 0 378.270 2.500 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+][C@@H]1CCS[C@H]1C ZINC000647259247 565649446 /nfs/dbraw/zinc/64/94/46/565649446.db2.gz XKWMVVSGNBKYNG-COPLHBTASA-N 1 0 387.343 2.946 20 0 GFADRO COCCOc1c(Cl)cc(S(=O)(=O)N[C@H]2CCC[C@@H]([NH3+])C2)cc1Cl ZINC000647259726 565649895 /nfs/dbraw/zinc/64/98/95/565649895.db2.gz SDBJOPFXNPGLRN-MNOVXSKESA-N 1 0 397.324 2.567 20 0 GFADRO CO[C@@]1(CO)CCC[N@H+](Cc2cn(-c3cccc(Br)c3)nc2C)C1 ZINC000668498827 565651208 /nfs/dbraw/zinc/65/12/08/565651208.db2.gz WURMXZIPZMDOET-SFHVURJKSA-N 1 0 394.313 2.917 20 0 GFADRO CC[C@H]1CN(S(=O)(=O)c2cccc(Br)c2Cl)CC[C@@H]1[NH3+] ZINC000647268496 565651526 /nfs/dbraw/zinc/65/15/26/565651526.db2.gz CYCGPWRUWZUAMV-ONGXEEELSA-N 1 0 381.723 2.850 20 0 GFADRO CC[C@@H]1CN(S(=O)(=O)c2c(C)cc(Br)cc2C)CC[C@H]1[NH3+] ZINC000647269624 565651958 /nfs/dbraw/zinc/65/19/58/565651958.db2.gz XFKZKGSXWSSDFW-TZMCWYRMSA-N 1 0 375.332 2.814 20 0 GFADRO CCOC(=O)c1[nH]c(C)c(C[NH2+]CCn2cc(Br)ccc2=O)c1C ZINC000598981483 565652664 /nfs/dbraw/zinc/65/26/64/565652664.db2.gz XUUGHDNCPFSTTJ-UHFFFAOYSA-N 1 0 396.285 2.522 20 0 GFADRO COCCOC[C@@H](O)C[N@@H+]1CC[C@@H](Sc2ccc(Br)cc2)C1 ZINC000625699866 565654932 /nfs/dbraw/zinc/65/49/32/565654932.db2.gz IBCPSDSSJRGIBV-GOEBONIOSA-N 1 0 390.343 2.639 20 0 GFADRO COc1cc(C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)ccc1Br ZINC000625719841 565655008 /nfs/dbraw/zinc/65/50/08/565655008.db2.gz HOIGGBGNYSQRPQ-ZDUSSCGKSA-N 1 0 397.313 2.688 20 0 GFADRO CN(C)S(=O)(=O)CC[N@@H+]1CC[C@H](Sc2ccc(Br)cc2)C1 ZINC000625702007 565655377 /nfs/dbraw/zinc/65/53/77/565655377.db2.gz RQCUMTCUGFCYMC-AWEZNQCLSA-N 1 0 393.372 2.507 20 0 GFADRO O=S(=O)(c1sccc1Br)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647306884 565655508 /nfs/dbraw/zinc/65/55/08/565655508.db2.gz LOUQCJLHOFFGST-VXGBXAGGSA-N 1 0 393.372 2.911 20 0 GFADRO O=S(=O)(Cc1ccc(Br)cc1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000647300272 565655753 /nfs/dbraw/zinc/65/57/53/565655753.db2.gz AORKZYDNIJXFEK-OAHLLOKOSA-N 1 0 387.343 2.600 20 0 GFADRO COCCOC[C@H](O)C[N@@H+]1CC[C@@H](Sc2ccc(Br)cc2)C1 ZINC000625699864 565655808 /nfs/dbraw/zinc/65/58/08/565655808.db2.gz IBCPSDSSJRGIBV-GDBMZVCRSA-N 1 0 390.343 2.639 20 0 GFADRO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000647316554 565656667 /nfs/dbraw/zinc/65/66/67/565656667.db2.gz QZLKGRFPVPIYSO-YDHLFZDLSA-N 1 0 390.933 2.550 20 0 GFADRO C[C@@H](C[NH2+][C@H](C)c1ccc(S(=O)(=O)N2CCOCC2)cc1)CC(F)F ZINC000647317220 565657210 /nfs/dbraw/zinc/65/72/10/565657210.db2.gz HVTQILQQBRPRSO-ZIAGYGMSSA-N 1 0 376.469 2.649 20 0 GFADRO Cc1sc(Br)cc1S(=O)(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000647323112 565658156 /nfs/dbraw/zinc/65/81/56/565658156.db2.gz IVAKDPMUIHYEEV-VXGBXAGGSA-N 1 0 393.372 2.829 20 0 GFADRO CCC[NH+]1CCC(CNC(=O)C(=O)NCc2ccc(Cl)c(Cl)c2)CC1 ZINC000668635798 565658371 /nfs/dbraw/zinc/65/83/71/565658371.db2.gz OJQJDYXMZLXJEH-UHFFFAOYSA-N 1 0 386.323 2.848 20 0 GFADRO CS(=O)(=O)Nc1ccc(NC(=O)N[C@@H]2CC[NH2+]C23CCCC3)cc1Cl ZINC000647474500 565660146 /nfs/dbraw/zinc/66/01/46/565660146.db2.gz ZBRLRDQTXOJTSW-CQSZACIVSA-N 1 0 386.905 2.508 20 0 GFADRO C[C@H]1CC[C@H](NC(=O)Nc2cc(Br)ccc2-n2cccn2)C[NH2+]1 ZINC000625860202 565663238 /nfs/dbraw/zinc/66/32/38/565663238.db2.gz SBBILCPMBXCFAN-AAEUAGOBSA-N 1 0 378.274 2.897 20 0 GFADRO O=C(Nc1cccc(Oc2ncc(Br)cn2)c1)N[C@@H]1CC[NH2+]C1 ZINC000625869933 565663515 /nfs/dbraw/zinc/66/35/15/565663515.db2.gz UIKXJTCUDMTOQE-GFCCVEGCSA-N 1 0 378.230 2.515 20 0 GFADRO O=C(CC[NH2+]C[C@@H](CO)Cc1cccnc1)Nc1cccc(Br)c1 ZINC000647535070 565663690 /nfs/dbraw/zinc/66/36/90/565663690.db2.gz GWUQKGQNSZSXTL-HNNXBMFYSA-N 1 0 392.297 2.614 20 0 GFADRO Nc1ccc(C[NH+]2CCC(C(=O)Nc3ccc(Br)cn3)CC2)cn1 ZINC000647537568 565663699 /nfs/dbraw/zinc/66/36/99/565663699.db2.gz QMASNRXEOAFUCJ-UHFFFAOYSA-N 1 0 390.285 2.672 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)Nc2cc(Br)ccn2)CC[C@@H]1C(F)(F)F ZINC000625882345 565664384 /nfs/dbraw/zinc/66/43/84/565664384.db2.gz HRVZZRZTFKGHDN-WPRPVWTQSA-N 1 0 381.196 2.835 20 0 GFADRO C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)Nc1ccc3nccnc3c1Br)C2 ZINC000625888333 565664550 /nfs/dbraw/zinc/66/45/50/565664550.db2.gz XLGXYXWHZNZLCC-CALCHBBNSA-N 1 0 390.285 2.856 20 0 GFADRO COc1ncc(Br)cc1CNC(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000625895223 565665801 /nfs/dbraw/zinc/66/58/01/565665801.db2.gz YFNYOFGVESJGTB-UHFFFAOYSA-N 1 0 391.269 2.820 20 0 GFADRO CN(C)C[C@@H]([NH2+]CCN1C(=O)NC(C)(C)C1=O)c1ccc(Cl)c(Cl)c1 ZINC000625983565 565668115 /nfs/dbraw/zinc/66/81/15/565668115.db2.gz TVRSERNKIFFACO-CQSZACIVSA-N 1 0 387.311 2.516 20 0 GFADRO O=C1[C@@H]([N@@H+]2C[C@@H]3CCC[C@]3(CO)C2)CCN1c1cccc(Br)c1 ZINC000626015216 565670986 /nfs/dbraw/zinc/67/09/86/565670986.db2.gz MXDYFRPJDVXSPQ-QANKJYHBSA-N 1 0 379.298 2.649 20 0 GFADRO CCO[C@@H](CC[NH+](C)C)CNC(=O)c1ccc(Br)c(F)c1F ZINC000626040932 565672304 /nfs/dbraw/zinc/67/23/04/565672304.db2.gz OGFRLSAWHDHGOL-JTQLQIEISA-N 1 0 379.245 2.814 20 0 GFADRO C[N@@H+]1CC[C@@H](CNC(=O)Cc2csc(COc3ccc(Cl)cc3)n2)C1 ZINC000599355935 565672386 /nfs/dbraw/zinc/67/23/86/565672386.db2.gz CNYQANZKVSTITM-ZDUSSCGKSA-N 1 0 379.913 2.986 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)CCC[N@@H+](C)[C@H]1C[C@@H](C(N)=O)C1 ZINC000626039309 565672560 /nfs/dbraw/zinc/67/25/60/565672560.db2.gz YRTKARWDSIEDRL-OTVXOJSOSA-N 1 0 396.329 2.980 20 0 GFADRO CCOC(=O)C[C@@H](O)C[NH+]1CCC(Oc2cccc(Br)c2)CC1 ZINC000599364887 565672684 /nfs/dbraw/zinc/67/26/84/565672684.db2.gz NQUNVEZKELUUOF-CQSZACIVSA-N 1 0 386.286 2.606 20 0 GFADRO C[C@@H]1C[C@H](CO)CC[N@@H+]1C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000626118653 565676348 /nfs/dbraw/zinc/67/63/48/565676348.db2.gz GRNKJEIKVOVIEI-YRGRVCCFSA-N 1 0 392.721 2.935 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc(Br)cc3[nH]c(=O)[nH]c32)C[C@@H]1C ZINC000669064254 565676280 /nfs/dbraw/zinc/67/62/80/565676280.db2.gz ILACRZDTLDQSAV-JQWIXIFHSA-N 1 0 395.301 2.976 20 0 GFADRO C[N@@H+]1CCC[C@H]1[C@@H]1COCCN1C(=O)CCOc1cccc(Br)c1 ZINC000647823327 565678663 /nfs/dbraw/zinc/67/86/63/565678663.db2.gz HEYLRMJXAKFGIZ-IRXDYDNUSA-N 1 0 397.313 2.540 20 0 GFADRO C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)CSc1nncn1-c1cccc(Cl)c1 ZINC000647830118 565679794 /nfs/dbraw/zinc/67/97/94/565679794.db2.gz MUEJJDHVHNUTHI-WFASDCNBSA-N 1 0 379.917 2.564 20 0 GFADRO C[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CC(C[NH+]2CCN(C)CC2)C1 ZINC000647825410 565679809 /nfs/dbraw/zinc/67/98/09/565679809.db2.gz VVOGUHOZKURTIN-AWEZNQCLSA-N 1 0 384.351 2.878 20 0 GFADRO C[N@H+](CCc1ccc(Br)cc1)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000647884145 565680686 /nfs/dbraw/zinc/68/06/86/565680686.db2.gz TULCVPYSCJTMAU-OALUTQOASA-N 1 0 377.326 2.854 20 0 GFADRO C[C@H]1C[C@H](NC(=O)[C@@H]2CCO[C@H]2c2cncc(Br)c2)CC[N@@H+]1C ZINC000669184388 565681155 /nfs/dbraw/zinc/68/11/55/565681155.db2.gz YRHIRJAAFVGKOT-SRMUXQRQSA-N 1 0 382.302 2.521 20 0 GFADRO CCOC(=O)C[C@@H](O)C[N@@H+]1CC[C@H](Sc2ccc(Br)cc2)C1 ZINC000599526186 565687223 /nfs/dbraw/zinc/68/72/23/565687223.db2.gz GRUYQUVUOSTGBS-HIFRSBDPSA-N 1 0 388.327 2.930 20 0 GFADRO [NH3+]C[C@H]1CCCN(C(=O)NC[C@H]2CCN(c3cccc(Br)c3)C2)C1 ZINC000669411038 565688027 /nfs/dbraw/zinc/68/80/27/565688027.db2.gz PGIDVEBOSKFSBW-HUUCEWRRSA-N 1 0 395.345 2.656 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CN(C(=O)NCCCOc2ccc(Cl)cc2Cl)CCO1 ZINC000669422857 565688273 /nfs/dbraw/zinc/68/82/73/565688273.db2.gz VLHYLVJTVBXBAT-ABAIWWIYSA-N 1 0 376.284 2.520 20 0 GFADRO O=C(NCc1cc(Br)ccc1OC(F)F)N[C@@H]1CCC[NH2+]CC1 ZINC000669437233 565689425 /nfs/dbraw/zinc/68/94/25/565689425.db2.gz SFGMLTGNZNPHIW-GFCCVEGCSA-N 1 0 392.244 2.992 20 0 GFADRO C[C@H](NC(=O)N[C@@H]1CCC[NH2+]C1)c1nc(-c2ccc(Br)cc2)no1 ZINC000669532701 565691748 /nfs/dbraw/zinc/69/17/48/565691748.db2.gz PJQZXGLQIOXHGQ-GXFFZTMASA-N 1 0 394.273 2.611 20 0 GFADRO O=C(N[C@H](Cc1ccccn1)c1ccc(Br)cc1)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000648151856 565692168 /nfs/dbraw/zinc/69/21/68/565692168.db2.gz UORMALMHPGMBGT-XDNAFOTISA-N 1 0 386.293 2.710 20 0 GFADRO [NH3+]C1(C(=O)N2CCc3c(Br)ccc(F)c3C2)Cc2ccccc2C1 ZINC000648166558 565692635 /nfs/dbraw/zinc/69/26/35/565692635.db2.gz SHICEFCYZVJPRR-UHFFFAOYSA-N 1 0 389.268 2.969 20 0 GFADRO O=C(NCc1cc2cc(Br)ccc2[nH]1)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000669562094 565693140 /nfs/dbraw/zinc/69/31/40/565693140.db2.gz ANLMLWQQSOYWFE-BZNIZROVSA-N 1 0 377.286 2.824 20 0 GFADRO O=C(NCC[N@H+]1CC[C@@H](O)C1)Nc1ccc(C(F)(F)F)cc1Br ZINC000626458713 565693202 /nfs/dbraw/zinc/69/32/02/565693202.db2.gz DHWSRQBNCNUEKF-SNVBAGLBSA-N 1 0 396.207 2.656 20 0 GFADRO C[C@H]1CC[C@H](NC(=O)Nc2cc(F)c(F)cc2I)C[NH2+]1 ZINC000599608252 565693383 /nfs/dbraw/zinc/69/33/83/565693383.db2.gz NRLSIPJXVGBDOZ-YUMQZZPRSA-N 1 0 395.191 2.831 20 0 GFADRO Cc1cc(CN2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)ccc1Br ZINC000669691450 565699619 /nfs/dbraw/zinc/69/96/19/565699619.db2.gz BRYLJEJDCCVWKZ-QGZVFWFLSA-N 1 0 380.330 2.672 20 0 GFADRO Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000669792059 565702113 /nfs/dbraw/zinc/70/21/13/565702113.db2.gz PIWHSHPJGNVLHY-ZDUSSCGKSA-N 1 0 379.306 2.637 20 0 GFADRO [NH3+][C@H]1CCC[C@@H](NC(=O)C(=O)Nc2cc(Cl)c(Br)cc2F)C1 ZINC000626835781 565711836 /nfs/dbraw/zinc/71/18/36/565711836.db2.gz HDWPZHIMGBTKSA-JGVFFNPUSA-N 1 0 392.656 2.566 20 0 GFADRO CC[NH+](CC)CC[C@@H](CO)NC(=O)c1ccc(Br)c(F)c1F ZINC000626810883 565711881 /nfs/dbraw/zinc/71/18/81/565711881.db2.gz REWAZMYMZBNIBP-JTQLQIEISA-N 1 0 379.245 2.550 20 0 GFADRO Cc1ccc(NC(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1Cl ZINC000626860922 565713249 /nfs/dbraw/zinc/71/32/49/565713249.db2.gz DXQMLBRZELOVNO-JQWIXIFHSA-N 1 0 377.794 2.573 20 0 GFADRO O=C(Nc1cc(Cl)cc(C(F)(F)F)c1)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000626852086 565713356 /nfs/dbraw/zinc/71/33/56/565713356.db2.gz VYGUSYMYXARYDK-GFCCVEGCSA-N 1 0 375.778 2.698 20 0 GFADRO O=S1(=O)CCCN1CCC[NH2+]Cc1cnc(-c2c(F)cccc2F)s1 ZINC000648448876 565714092 /nfs/dbraw/zinc/71/40/92/565714092.db2.gz UBRVHUYAHMWZHA-UHFFFAOYSA-N 1 0 387.477 2.604 20 0 GFADRO OC[C@H]1CC[C@@H]([NH2+]Cc2ccc(Br)cc2N2CCOCC2)CC1 ZINC000648481884 565716022 /nfs/dbraw/zinc/71/60/22/565716022.db2.gz QHAJSGPKVZOUJL-KDYLLFBJSA-N 1 0 383.330 2.926 20 0 GFADRO C[C@@H]1CC[C@H](NC(=O)NCCOc2ncc(C(F)(F)F)cc2Cl)C[NH2+]1 ZINC000626985146 565718166 /nfs/dbraw/zinc/71/81/66/565718166.db2.gz PWISGRBZGKBRDW-KOLCDFICSA-N 1 0 380.798 2.572 20 0 GFADRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NCCCc1ccc(Br)cc1OC ZINC000627013090 565718662 /nfs/dbraw/zinc/71/86/62/565718662.db2.gz ICZPAXUMZKMXGY-LSDHHAIUSA-N 1 0 384.318 2.830 20 0 GFADRO CCn1c(CNC(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)nc2cc(Br)ccc21 ZINC000627019876 565719630 /nfs/dbraw/zinc/71/96/30/565719630.db2.gz SZBHFAIIZSSSLI-WCQYABFASA-N 1 0 394.317 2.758 20 0 GFADRO C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)N[C@H]1COc3cc(F)c(Br)cc31)C2 ZINC000627029109 565720538 /nfs/dbraw/zinc/72/05/38/565720538.db2.gz QIVYJVBRVBZVKK-RRQGHBQHSA-N 1 0 398.276 2.663 20 0 GFADRO [NH3+]CCCOCCNC(=O)NCC1(c2ccc(Br)s2)CCC1 ZINC000627033432 565720832 /nfs/dbraw/zinc/72/08/32/565720832.db2.gz JHTANGOIFHQBKZ-UHFFFAOYSA-N 1 0 390.347 2.597 20 0 GFADRO O=C(N[C@@H]1CC[NH2+]C12CCC2)N1CCc2cc(F)cc(Br)c2C1 ZINC000627126124 565722292 /nfs/dbraw/zinc/72/22/92/565722292.db2.gz BNNTWTPSSBKJKT-OAHLLOKOSA-N 1 0 382.277 2.941 20 0 GFADRO [NH3+]C1(CNC(=O)N2CC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)CCOCC1 ZINC000627151262 565723401 /nfs/dbraw/zinc/72/34/01/565723401.db2.gz CYXPJMZCOXCDAI-ZDUSSCGKSA-N 1 0 388.295 2.664 20 0 GFADRO C[N@@H+]1CCCC[C@H](CNC(=O)c2c(F)cccc2I)C1 ZINC000600315337 565723874 /nfs/dbraw/zinc/72/38/74/565723874.db2.gz SEYNUACSTJXHTO-LLVKDONJSA-N 1 0 390.240 2.892 20 0 GFADRO C[C@H](C[NH+]1CCCCC1)NC(=O)c1c2ccc(Br)cc2nn1C ZINC000648732232 565724442 /nfs/dbraw/zinc/72/44/42/565724442.db2.gz NXLOXIAXOJMFOM-GFCCVEGCSA-N 1 0 379.302 2.940 20 0 GFADRO [NH3+]CCCOCCNC(=O)N1CCCC[C@H]1Cc1cccc(Br)c1 ZINC000627219450 565727271 /nfs/dbraw/zinc/72/72/71/565727271.db2.gz XBIGLRVOPRVXFR-KRWDZBQOSA-N 1 0 398.345 2.921 20 0 GFADRO O=C(c1ccc2cc(Br)ccc2c1)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000627260434 565728926 /nfs/dbraw/zinc/72/89/26/565728926.db2.gz IYJRCXJNTLIGHL-ROUUACIJSA-N 1 0 389.293 2.883 20 0 GFADRO Cc1cc(C)c(C(=O)N2CC[C@H]([N@@H+]3CC[C@H](O)C3)C2)c(C)c1Br ZINC000627272718 565731683 /nfs/dbraw/zinc/73/16/83/565731683.db2.gz SXQDUIRJMOKYTC-GJZGRUSLSA-N 1 0 381.314 2.655 20 0 GFADRO C[N@H+](Cc1cccc(NS(C)(=O)=O)c1)C1CCN(CC(F)(F)F)CC1 ZINC000648857407 565734475 /nfs/dbraw/zinc/73/44/75/565734475.db2.gz CZPKTUFSJZIPMM-UHFFFAOYSA-N 1 0 379.448 2.517 20 0 GFADRO CC(C)c1cc(Cl)ccc1NC(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000627383350 565734899 /nfs/dbraw/zinc/73/48/99/565734899.db2.gz BJRPQISWRQMDST-GOSISDBHSA-N 1 0 383.945 2.955 20 0 GFADRO CC[NH+](CC)[C@H](CNC(=O)C(=O)NCc1ccc(Cl)o1)c1ccsc1 ZINC000670656995 565734876 /nfs/dbraw/zinc/73/48/76/565734876.db2.gz MGYBAUUUAGMQCD-CQSZACIVSA-N 1 0 383.901 2.810 20 0 GFADRO O=C(NCc1ccc(Cl)o1)C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000670625784 565734922 /nfs/dbraw/zinc/73/49/22/565734922.db2.gz MDFFJIARAPIOAD-CYBMUJFWSA-N 1 0 381.885 2.564 20 0 GFADRO CC(C)[C@H]1CN(C(=O)c2c3ccc(Br)cc3nn2C)CC[N@@H+]1C ZINC000648879311 565736554 /nfs/dbraw/zinc/73/65/54/565736554.db2.gz FIZHVKYLPNWJAI-OAHLLOKOSA-N 1 0 379.302 2.748 20 0 GFADRO C[C@H](CC(=O)N1CC[N@@H+](C2CCC2)C[C@H](C)C1)n1cc(Br)cn1 ZINC000648911939 565738458 /nfs/dbraw/zinc/73/84/58/565738458.db2.gz WUXOCROUOIDHIX-UONOGXRCSA-N 1 0 383.334 2.930 20 0 GFADRO Cc1cn2c(n1)C[C@@H](C(=O)N[C@@H](CO)c1ccc(Br)c(F)c1)CC2 ZINC000627505533 565738484 /nfs/dbraw/zinc/73/84/84/565738484.db2.gz SHAIDWGYKHZMJD-WFASDCNBSA-N 1 0 396.260 2.505 20 0 GFADRO CN1CC[NH+](CC2CN(C(=O)c3cc(C(F)(F)F)ccc3Cl)C2)CC1 ZINC000627518860 565739338 /nfs/dbraw/zinc/73/93/38/565739338.db2.gz YHCQMVNKFOFETQ-UHFFFAOYSA-N 1 0 375.822 2.678 20 0 GFADRO C[C@@H]1CN(C(=O)c2c3ccc(Br)cc3nn2C)CC[N@@H+](C2CC2)C1 ZINC000648916969 565739542 /nfs/dbraw/zinc/73/95/42/565739542.db2.gz SCNJDPPMFIHXMA-LBPRGKRZSA-N 1 0 391.313 2.892 20 0 GFADRO Cn1ncc2c1nc(C[NH2+]C(C)(C)Cc1ccc(Br)cc1)[nH]c2=O ZINC000600655187 565740681 /nfs/dbraw/zinc/74/06/81/565740681.db2.gz GXYKHYIZHXSAFB-UHFFFAOYSA-N 1 0 390.285 2.942 20 0 GFADRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000649071681 565746335 /nfs/dbraw/zinc/74/63/35/565746335.db2.gz PBJRLFHZJGTEDE-SNVBAGLBSA-N 1 0 377.794 2.551 20 0 GFADRO O=c1[n-]nc([C@H]2CCCN(Cc3cc4c(cc3Br)OCCO4)C2)o1 ZINC000670984532 565748650 /nfs/dbraw/zinc/74/86/50/565748650.db2.gz SLESWRGLWLUKHL-JTQLQIEISA-N 1 0 396.241 2.689 20 0 GFADRO COc1ccc(Br)c(C(=O)N2CCC([N@@H+]3CCCOCC3)CC2)c1 ZINC000627737782 565749187 /nfs/dbraw/zinc/74/91/87/565749187.db2.gz PWGQMHCNZXDXBD-UHFFFAOYSA-N 1 0 397.313 2.785 20 0 GFADRO COc1cc(CN[C@@H]2CC[C@@H](C)[NH2+]C2)cc(I)c1OC ZINC000600777467 565749737 /nfs/dbraw/zinc/74/97/37/565749737.db2.gz UKYWHRNTPCXLJZ-ZYHUDNBSSA-N 1 0 390.265 2.539 20 0 GFADRO COc1cc(CN[C@H]2CC[C@H](C)[NH2+]C2)cc(I)c1OC ZINC000600777463 565749806 /nfs/dbraw/zinc/74/98/06/565749806.db2.gz UKYWHRNTPCXLJZ-JQWIXIFHSA-N 1 0 390.265 2.539 20 0 GFADRO CSc1nnc(CCC[NH2+][C@@H]2CCC[C@H](S(C)(=O)=O)C2)n1CC(C)C ZINC000671111868 565752496 /nfs/dbraw/zinc/75/24/96/565752496.db2.gz SOVDCPCBYQMSNT-CABCVRRESA-N 1 0 388.603 2.534 20 0 GFADRO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@](C)(CO)Cc1ccccc1 ZINC000671121965 565752707 /nfs/dbraw/zinc/75/27/07/565752707.db2.gz JYCUBHHZHMZAID-HNAYVOBHSA-N 1 0 393.325 2.830 20 0 GFADRO Cc1cccc(C[C@@H](CO)[NH2+][C@H](C)Cn2cc(Br)ccc2=O)c1 ZINC000671121000 565753038 /nfs/dbraw/zinc/75/30/38/565753038.db2.gz XNUIFCFKFLIABY-PBHICJAKSA-N 1 0 379.298 2.501 20 0 GFADRO C[N@@H+]1CCCC[C@@H]1C(=O)NCc1nnc2c(Cl)cc(C(F)(F)F)cn12 ZINC000600937153 565758997 /nfs/dbraw/zinc/75/89/97/565758997.db2.gz NSPIJBFKOLHHME-LLVKDONJSA-N 1 0 375.782 2.502 20 0 GFADRO CC(C)(CO)[NH+]1CCN(CCCC(=O)c2ccc(Br)cc2)CC1 ZINC000649382232 565759118 /nfs/dbraw/zinc/75/91/18/565759118.db2.gz YUAGQBMJKZNHMB-UHFFFAOYSA-N 1 0 383.330 2.801 20 0 GFADRO COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+]CCNS(=O)(=O)c2cccs2)cc1 ZINC000671298329 565760549 /nfs/dbraw/zinc/76/05/49/565760549.db2.gz XIAZARBJHVVAOU-KBRIMQKVSA-N 1 0 380.535 2.817 20 0 GFADRO Cc1ccc(Br)cc1CN1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000649393511 565760784 /nfs/dbraw/zinc/76/07/84/565760784.db2.gz ZWVPDZKDPGNITN-KRWDZBQOSA-N 1 0 380.330 2.672 20 0 GFADRO CC1(C)C[N@H+](CCCC(=O)c2ccc(Br)cc2)CCN1CCO ZINC000649468904 565761284 /nfs/dbraw/zinc/76/12/84/565761284.db2.gz KQZIKVFCGHMMOV-UHFFFAOYSA-N 1 0 383.330 2.801 20 0 GFADRO Cc1cc(NC(=O)C(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)ccc1Br ZINC000627905652 565762010 /nfs/dbraw/zinc/76/20/10/565762010.db2.gz SESAZPRYYKETHC-HNNXBMFYSA-N 1 0 394.313 2.829 20 0 GFADRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000627921624 565762872 /nfs/dbraw/zinc/76/28/72/565762872.db2.gz HKBULVLOXYDXQM-JTQLQIEISA-N 1 0 377.794 2.551 20 0 GFADRO O[C@H](C[NH2+]C1(c2ccccc2Br)CCC1)COC[C@@H]1CCCO1 ZINC000649645848 565770247 /nfs/dbraw/zinc/77/02/47/565770247.db2.gz KNOCNGOCTYHPDS-CABCVRRESA-N 1 0 384.314 2.974 20 0 GFADRO Cc1ccc(CC(=O)N2CCC([NH+]3CCOCC3)CC2)cc1Br ZINC000628123195 565774874 /nfs/dbraw/zinc/77/48/74/565774874.db2.gz FOOSBAHLNUINAO-UHFFFAOYSA-N 1 0 381.314 2.623 20 0 GFADRO CS[C@@H]1CN(C(=O)Cc2csc(CCC(F)(F)F)n2)C[C@H]1[NH+](C)C ZINC000601378600 565778737 /nfs/dbraw/zinc/77/87/37/565778737.db2.gz CVZXUTMPMLSREU-VXGBXAGGSA-N 1 0 381.489 2.685 20 0 GFADRO C[C@]1(C[NH2+]Cc2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)CCCS1 ZINC000628209535 565780453 /nfs/dbraw/zinc/78/04/53/565780453.db2.gz JJNMXWCWIMGHST-FUHWJXTLSA-N 1 0 384.567 2.519 20 0 GFADRO O[C@@H](COc1ccc(Cl)c(Cl)c1)CN1CCO[C@]2(CCCOC2)C1 ZINC000671696362 565781257 /nfs/dbraw/zinc/78/12/57/565781257.db2.gz PADBQGLFQMMEEV-CXAGYDPISA-N 1 0 376.280 2.615 20 0 GFADRO COCC[N@@H+]1CCN(C[C@@H](O)COc2ccc(Cl)c(Cl)c2)C(C)(C)C1 ZINC000649848533 565782082 /nfs/dbraw/zinc/78/20/82/565782082.db2.gz UMJQSSIGBIZDGK-CQSZACIVSA-N 1 0 391.339 2.776 20 0 GFADRO COc1ccc(Cl)c2c1CCC[C@@H]2[N@H+](C)C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000649856764 565782692 /nfs/dbraw/zinc/78/26/92/565782692.db2.gz NXICDUHXYIZPDP-CJNGLKHVSA-N 1 0 386.945 2.939 20 0 GFADRO CS[C@@H]1CN(C(=O)[C@@H](C)n2ccc(C(F)(F)F)n2)C[C@H]1[NH+]1CCCC1 ZINC000601436665 565784391 /nfs/dbraw/zinc/78/43/91/565784391.db2.gz JSKUATLEIKJWIO-JHJVBQTASA-N 1 0 376.448 2.501 20 0 GFADRO Cc1n[nH]cc1[C@@H](C)[NH2+]CCNS(=O)(=O)c1cccc(Cl)c1Cl ZINC000671766666 565785457 /nfs/dbraw/zinc/78/54/57/565785457.db2.gz ONMWMOHTUUYNEW-SECBINFHSA-N 1 0 377.297 2.654 20 0 GFADRO C[C@@H]1[C@H]([NH2+]C2CC(c3ccc(Br)cc3F)C2)CCS1(=O)=O ZINC000628453522 565789225 /nfs/dbraw/zinc/78/92/25/565789225.db2.gz HTFSYQOOSYUWAV-IZUUHQQESA-N 1 0 376.291 2.999 20 0 GFADRO CO[C@@H](CC(=O)NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1)C(F)(F)F ZINC000649961665 565789616 /nfs/dbraw/zinc/78/96/16/565789616.db2.gz SHKMCTBAMMZQCN-CABCVRRESA-N 1 0 376.444 2.688 20 0 GFADRO O=C(c1ccc(I)c(F)c1)N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000601555279 565791280 /nfs/dbraw/zinc/79/12/80/565791280.db2.gz CUEOPKMRBSWWEI-SMDDNHRTSA-N 1 0 388.224 2.644 20 0 GFADRO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N[C@H]1CCSc2ccc(Cl)cc21 ZINC000671932417 565791599 /nfs/dbraw/zinc/79/15/99/565791599.db2.gz IIGAJNLMGHYAPC-WFASDCNBSA-N 1 0 383.945 2.840 20 0 GFADRO C[C@@H]1C[C@H]([NH3+])CN1C(=O)Nc1cc(I)ccc1Cl ZINC000601563627 565792476 /nfs/dbraw/zinc/79/24/76/565792476.db2.gz XMJBFEYXHYJPMO-APPZFPTMSA-N 1 0 379.629 2.898 20 0 GFADRO C[C@@H]1C[N@H+](C)[C@H](C)[C@@H](C)N1C(=O)c1c2ccc(Br)cc2nn1C ZINC000650155859 565801027 /nfs/dbraw/zinc/80/10/27/565801027.db2.gz HHGDEFFAPADMSN-IJLUTSLNSA-N 1 0 379.302 2.889 20 0 GFADRO CC(C)C[N@H+](C)CCCNC(=O)CCNC(=O)c1ccc(Br)cc1 ZINC000650175858 565802470 /nfs/dbraw/zinc/80/24/70/565802470.db2.gz DCIWCJYLLMLMRQ-UHFFFAOYSA-N 1 0 398.345 2.663 20 0 GFADRO C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)NC[C@H]1CCCC[N@H+](C)C1 ZINC000628746117 565806692 /nfs/dbraw/zinc/80/66/92/565806692.db2.gz WVUZHEUPPFGQHG-QWHCGFSZSA-N 1 0 386.323 2.960 20 0 GFADRO CC1(C)C[NH2+]CC[C@H](NC(=O)c2c(F)cccc2I)C1 ZINC000601977250 565812102 /nfs/dbraw/zinc/81/21/02/565812102.db2.gz SMUITYLPATULNR-JTQLQIEISA-N 1 0 390.240 2.938 20 0 GFADRO CC(=O)NCC[C@@H]1CCC[N@H+](Cc2cn3cc(Br)ccc3n2)C1 ZINC000672576448 565812469 /nfs/dbraw/zinc/81/24/69/565812469.db2.gz XOOSEQORPBSDIB-AWEZNQCLSA-N 1 0 379.302 2.835 20 0 GFADRO Cn1ccnc1COCC(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000628968505 565817738 /nfs/dbraw/zinc/81/77/38/565817738.db2.gz GVSAPLYXGYLSIU-OAHLLOKOSA-N 1 0 385.295 2.663 20 0 GFADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3cnc4ncc(Br)cc4c3)CC[C@H]21 ZINC000672885206 565820864 /nfs/dbraw/zinc/82/08/64/565820864.db2.gz ICUFKSLETNXIJH-MLGOLLRUSA-N 1 0 389.297 2.949 20 0 GFADRO C[C@H]1C[C@H](NC(=O)c2ccc3[nH]cc(I)c3c2)CC[N@@H+]1C ZINC000602107519 565823103 /nfs/dbraw/zinc/82/31/03/565823103.db2.gz GNECHJYPNFIISL-CMPLNLGQSA-N 1 0 397.260 2.985 20 0 GFADRO CCOC(=O)C[C@@H](NC(=O)C[C@H]1CC[N@H+](C)C1)c1cccc(Br)c1 ZINC000602131673 565824750 /nfs/dbraw/zinc/82/47/50/565824750.db2.gz TZTQEQKCTQLOCV-CZUORRHYSA-N 1 0 397.313 2.901 20 0 GFADRO C[C@H](Sc1ccnc2cc(Cl)ccc21)C(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000629172276 565826625 /nfs/dbraw/zinc/82/66/25/565826625.db2.gz CECKIYSSPIGJEM-GXTWGEPZSA-N 1 0 379.913 2.552 20 0 GFADRO NS(=O)(=O)c1ccc(NC2CC[NH+](CC3CC3)CC2)cc1C(F)(F)F ZINC000673695567 565844223 /nfs/dbraw/zinc/84/42/23/565844223.db2.gz BHHRTTDSEVDLSP-UHFFFAOYSA-N 1 0 377.432 2.639 20 0 GFADRO Cc1[nH]nc(C(F)(F)F)c1C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000673734701 565845759 /nfs/dbraw/zinc/84/57/59/565845759.db2.gz IVVBRJIGUPMJCB-UHFFFAOYSA-N 1 0 376.448 2.828 20 0 GFADRO O=C(NCC[N@@H+]1CCCOCC1)NC1(c2ccccc2Br)CCC1 ZINC000651118192 565846954 /nfs/dbraw/zinc/84/69/54/565846954.db2.gz ICLUPKKSDHTHTH-UHFFFAOYSA-N 1 0 396.329 2.850 20 0 GFADRO CN(Cc1ccccc1Br)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000673809828 565846964 /nfs/dbraw/zinc/84/69/64/565846964.db2.gz LWXSECGEJSHSAY-UHFFFAOYSA-N 1 0 380.290 2.871 20 0 GFADRO CC(C)c1nc(S(=O)(=O)NCC2([NH+]3CCSCC3)CCCCC2)c[nH]1 ZINC000673822514 565848182 /nfs/dbraw/zinc/84/81/82/565848182.db2.gz NKFHXXCTQAYVJL-UHFFFAOYSA-N 1 0 386.587 2.563 20 0 GFADRO CCOC(=O)CC1CC[NH+](Cc2cnn3cc(Br)cnc23)CC1 ZINC000602443816 565848646 /nfs/dbraw/zinc/84/86/46/565848646.db2.gz WFXBDZCXNMPEED-UHFFFAOYSA-N 1 0 381.274 2.657 20 0 GFADRO CN(Cc1ccc(Br)s1)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000673869865 565851510 /nfs/dbraw/zinc/85/15/10/565851510.db2.gz FAULDZILERFBBH-UHFFFAOYSA-N 1 0 386.319 2.933 20 0 GFADRO C[C@@H](Cc1c(Cl)cccc1Cl)NC(=O)C1([S@@](C)=O)CC[NH2+]CC1 ZINC000602514304 565852303 /nfs/dbraw/zinc/85/23/03/565852303.db2.gz SSTNKVSEBRIJQG-BSNNYGBQSA-N 1 0 377.337 2.541 20 0 GFADRO CC(C)(CO)[NH+]1CCN(Cc2nnc(-c3c(Cl)cccc3Cl)o2)CC1 ZINC000673896704 565852592 /nfs/dbraw/zinc/85/25/92/565852592.db2.gz VSDSEQWWAQQFTA-UHFFFAOYSA-N 1 0 385.295 2.932 20 0 GFADRO C[S@](=O)C1(C(=O)N2CC(C)(C)c3ccc(Br)cc32)CC[NH2+]CC1 ZINC000602520159 565852642 /nfs/dbraw/zinc/85/26/42/565852642.db2.gz FTEHHYQGMMTWEO-QHCPKHFHSA-N 1 0 399.354 2.574 20 0 GFADRO C[C@H]([NH2+]Cc1ccc(S(N)(=O)=O)c(Cl)c1)c1ccc([S@@](C)=O)cc1 ZINC000602576035 565855122 /nfs/dbraw/zinc/85/51/22/565855122.db2.gz IQZOXDRYGKPNSW-BSNNYGBQSA-N 1 0 386.926 2.576 20 0 GFADRO C[NH+](C)C1CCN(CCNc2ncnc3cc(Br)sc32)CC1 ZINC000651324470 565856718 /nfs/dbraw/zinc/85/67/18/565856718.db2.gz FXMCHMGOHKGJTP-UHFFFAOYSA-N 1 0 384.347 2.892 20 0 GFADRO CN([C@H](C[NH3+])C(F)(F)F)[C@@H]1CCc2cc(Br)ccc2NC1=O ZINC000629548653 565858047 /nfs/dbraw/zinc/85/80/47/565858047.db2.gz QYQVHTDPGQHBJO-VXGBXAGGSA-N 1 0 380.208 2.524 20 0 GFADRO O=C1Nc2ccc(Br)cc2CC[C@H]1N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000629538276 565858226 /nfs/dbraw/zinc/85/82/26/565858226.db2.gz TUOHAYRVJAHYCI-SJLPKXTDSA-N 1 0 378.314 2.778 20 0 GFADRO [NH3+]Cc1cccc2c1N(Cc1cc(=O)n3cc(Br)ccc3n1)CCC2 ZINC000629560927 565859074 /nfs/dbraw/zinc/85/90/74/565859074.db2.gz YZNYXYXLLUMQJK-UHFFFAOYSA-N 1 0 399.292 2.869 20 0 GFADRO C[NH2+]CCOCCN(C)[C@@H](C)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000629569322 565859090 /nfs/dbraw/zinc/85/90/90/565859090.db2.gz ZOOYQLKCFBUTSD-NSHDSACASA-N 1 0 381.826 2.854 20 0 GFADRO COC(=O)c1csc(C[N@@H+]2CCC[C@@H](CNC(=O)CC(F)(F)F)C2)c1 ZINC000602648965 565859434 /nfs/dbraw/zinc/85/94/34/565859434.db2.gz FVMHRMZCYYARAN-NSHDSACASA-N 1 0 378.416 2.815 20 0 GFADRO C[N@H+](CC(=O)N[C@H](CCO)c1cc(Cl)cc(Cl)c1)[C@@H]1CCSC1 ZINC000629586643 565860761 /nfs/dbraw/zinc/86/07/61/565860761.db2.gz BVYUWIFTABHVOQ-HUUCEWRRSA-N 1 0 377.337 2.970 20 0 GFADRO COC(=O)c1cc(C[NH2+][C@](C)(CO)c2ccc(Br)cc2)[nH]c1C ZINC000602660446 565860878 /nfs/dbraw/zinc/86/08/78/565860878.db2.gz CVHQSHPQYCYQSS-QGZVFWFLSA-N 1 0 381.270 2.870 20 0 GFADRO CS(=O)(=O)N1CCC([NH2+]C2(c3ccc(OC(F)(F)F)cc3)CC2)CC1 ZINC000651370708 565861305 /nfs/dbraw/zinc/86/13/05/565861305.db2.gz VNHZUIYRZAIPMQ-UHFFFAOYSA-N 1 0 378.416 2.588 20 0 GFADRO Cc1ccc(Cl)c(OC[C@H](O)C[NH2+]Cc2c(C(F)(F)F)cnn2C)c1 ZINC000629597098 565861539 /nfs/dbraw/zinc/86/15/39/565861539.db2.gz IMROUBZFVVOTTN-LLVKDONJSA-N 1 0 377.794 2.930 20 0 GFADRO O[C@H](C[NH2+]C[C@H](n1cccn1)C(F)(F)F)COCc1ccc(Cl)cc1 ZINC000629601594 565862884 /nfs/dbraw/zinc/86/28/84/565862884.db2.gz SZCMTXVKFMECCS-CABCVRRESA-N 1 0 377.794 2.807 20 0 GFADRO O[C@H](C[NH2+]C[C@@H](n1cccn1)C(F)(F)F)COCc1ccc(Cl)cc1 ZINC000629601596 565862986 /nfs/dbraw/zinc/86/29/86/565862986.db2.gz SZCMTXVKFMECCS-HUUCEWRRSA-N 1 0 377.794 2.807 20 0 GFADRO O[C@H](C[NH2+]C[C@@H](n1cccn1)C(F)(F)F)COCc1ccccc1Cl ZINC000629601732 565863006 /nfs/dbraw/zinc/86/30/06/565863006.db2.gz UMDVDJOXHOECTF-UKRRQHHQSA-N 1 0 377.794 2.807 20 0 GFADRO CS(=O)(=O)CC1(CC[NH2+]Cc2ccc(I)s2)CC1 ZINC000602704944 565864287 /nfs/dbraw/zinc/86/42/87/565864287.db2.gz IMALZPOLGZFQDN-UHFFFAOYSA-N 1 0 399.319 2.657 20 0 GFADRO CO[C@H]1C[C@@H](C[NH2+]C[C@@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000629616915 565865243 /nfs/dbraw/zinc/86/52/43/565865243.db2.gz MWTREWRBCJNLGO-RTXFEEFZSA-N 1 0 378.694 2.857 20 0 GFADRO COc1c(Br)cc(Br)cc1CN(C)CCOCC[NH3+] ZINC000629662435 565866259 /nfs/dbraw/zinc/86/62/59/565866259.db2.gz HZFXPURDWZRZKI-UHFFFAOYSA-N 1 0 396.123 2.627 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1cc(=O)c2cc(Br)ccc2[nH]1 ZINC000602748324 565866521 /nfs/dbraw/zinc/86/65/21/565866521.db2.gz STRKDAKIETXQQI-OLZOCXBDSA-N 1 0 390.281 2.647 20 0 GFADRO COC1CC[NH+](CCNC(=O)[C@@H]2C[C@@H]2c2cccc(Br)c2)CC1 ZINC000674310166 565867578 /nfs/dbraw/zinc/86/75/78/565867578.db2.gz VEJMYLDKXDWVPV-IAGOWNOFSA-N 1 0 381.314 2.780 20 0 GFADRO C[N@H+](CC(=O)N1CCc2cc(F)cc(Br)c2C1)[C@H]1CCSC1 ZINC000629741141 565867679 /nfs/dbraw/zinc/86/76/79/565867679.db2.gz RVKMEKKSUBMCKP-ZDUSSCGKSA-N 1 0 387.318 2.910 20 0 GFADRO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)CCn1cc(Br)cn1 ZINC000674300619 565867696 /nfs/dbraw/zinc/86/76/96/565867696.db2.gz LYHXMDCUVNQRDK-CQSZACIVSA-N 1 0 379.302 2.672 20 0 GFADRO CCN(C#N)CC[NH+]1CCC(C(=O)Nc2cccc(Br)c2)CC1 ZINC000602785703 565868425 /nfs/dbraw/zinc/86/84/25/565868425.db2.gz BBCYIWADTDSSGM-UHFFFAOYSA-N 1 0 379.302 2.903 20 0 GFADRO COC1CC[NH+](CCNC(=O)c2cc(Cl)ccc2Br)CC1 ZINC000674325017 565868672 /nfs/dbraw/zinc/86/86/72/565868672.db2.gz VNCYKKQANCVLHO-UHFFFAOYSA-N 1 0 375.694 2.943 20 0 GFADRO COC1CC[NH+](CCNC(=O)NCc2nc3cc(Cl)ccc3s2)CC1 ZINC000674327722 565868988 /nfs/dbraw/zinc/86/89/88/565868988.db2.gz NJPCLXAAYQIEPR-UHFFFAOYSA-N 1 0 382.917 2.860 20 0 GFADRO COC1CC[NH+](CCNC(=O)N[C@@H](C)Cc2ccc(Br)cc2)CC1 ZINC000674328835 565869008 /nfs/dbraw/zinc/86/90/08/565869008.db2.gz RCDZJKHGVMSLGK-AWEZNQCLSA-N 1 0 398.345 2.790 20 0 GFADRO COCC1(CS(=O)(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)CCC1 ZINC000651541817 565870085 /nfs/dbraw/zinc/87/00/85/565870085.db2.gz JILKOIPHELRYHP-MRXNPFEDSA-N 1 0 386.583 2.696 20 0 GFADRO CCOCCC[N@@H+]1CC[C@@H](NS(=O)(=O)Cc2ccc(Cl)cc2)[C@H](C)C1 ZINC000651562347 565872632 /nfs/dbraw/zinc/87/26/32/565872632.db2.gz MGCXDZWKFYXOIC-CRAIPNDOSA-N 1 0 388.961 2.896 20 0 GFADRO C[C@H](NC(=O)C[N@H+](C)C1CCC1)c1ccc(Br)cc1OCCCO ZINC000629994350 565879394 /nfs/dbraw/zinc/87/93/94/565879394.db2.gz OKCBKAQUFIZXFU-ZDUSSCGKSA-N 1 0 399.329 2.872 20 0 GFADRO C[N@H+](C[C@@H](O)CC1(O)CCOCC1)CC1(c2ccc(Br)cc2)CC1 ZINC000630043530 565880799 /nfs/dbraw/zinc/88/07/99/565880799.db2.gz XRTAFSNWKNYGMD-KRWDZBQOSA-N 1 0 398.341 2.705 20 0 GFADRO Cc1c(Br)cncc1C(=O)N1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000630094067 565881217 /nfs/dbraw/zinc/88/12/17/565881217.db2.gz ZBWGMMSKCDSZAS-MWLCHTKSSA-N 1 0 380.208 2.752 20 0 GFADRO CCC[C@@H](C(=O)OCC)n1cc([C@@H]([NH3+])c2ccc(Br)cc2)nn1 ZINC000603202295 565890430 /nfs/dbraw/zinc/89/04/30/565890430.db2.gz SOXJDMAMMHVOSE-GJZGRUSLSA-N 1 0 381.274 2.993 20 0 GFADRO CCOC(=O)c1nc(N2CC[C@@H](C[NH+]3CCCC3)C2)ccc1Br ZINC000603305521 565896534 /nfs/dbraw/zinc/89/65/34/565896534.db2.gz QCPYRDSWSLJFGI-ZDUSSCGKSA-N 1 0 382.302 2.943 20 0 GFADRO CCOc1ccc(S(=O)(=O)N(C)CCCC[NH+](C)C)cc1Br ZINC000675329823 565899370 /nfs/dbraw/zinc/89/93/70/565899370.db2.gz FGWIGVNUMDJNCO-UHFFFAOYSA-N 1 0 393.347 2.810 20 0 GFADRO C[C@@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH2+][C@H]1C[C@@H](C(N)=O)C1 ZINC000651980713 565908471 /nfs/dbraw/zinc/90/84/71/565908471.db2.gz DGSVBTGXIBYWSF-ATZCPNFKSA-N 1 0 377.794 2.929 20 0 GFADRO [NH3+][C@H](CCNC(=O)c1nc(C2CC2)ncc1Br)Cc1ccccc1 ZINC000630580631 565910517 /nfs/dbraw/zinc/91/05/17/565910517.db2.gz DRWMJAXYKNYQFH-CQSZACIVSA-N 1 0 389.297 2.806 20 0 GFADRO Cc1c([C@@H](C)[NH2+]CCCN(C)S(C)(=O)=O)cnn1-c1cccc(Cl)c1 ZINC000675745345 565913762 /nfs/dbraw/zinc/91/37/62/565913762.db2.gz KVWGXRINPMHQGZ-CYBMUJFWSA-N 1 0 384.933 2.766 20 0 GFADRO O=C(c1cc(Br)c2nccn2c1)N1CC[NH+](C2CCCC2)CC1 ZINC000630692679 565915514 /nfs/dbraw/zinc/91/55/14/565915514.db2.gz XDYBDFPCXIQAMY-UHFFFAOYSA-N 1 0 377.286 2.797 20 0 GFADRO C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CCOC[C@@H]1CCOC1 ZINC000675840703 565916948 /nfs/dbraw/zinc/91/69/48/565916948.db2.gz UDEZDUWKHMNCST-UONOGXRCSA-N 1 0 385.302 2.809 20 0 GFADRO COc1ccc(CNC(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)cc1Br ZINC000652144958 565917663 /nfs/dbraw/zinc/91/76/63/565917663.db2.gz ZJGLJVGOOVGTCF-GUYCJALGSA-N 1 0 382.302 2.728 20 0 GFADRO [NH3+]CC1(CCNC(=O)NCCOc2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000652157786 565917777 /nfs/dbraw/zinc/91/77/77/565917777.db2.gz LCWCLWXZKLZYOG-UHFFFAOYSA-N 1 0 380.798 2.561 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc2cncc(Br)c2n1 ZINC000630762955 565919263 /nfs/dbraw/zinc/91/92/63/565919263.db2.gz RBLMAPBMLVPEDC-CHWSQXEVSA-N 1 0 375.270 2.749 20 0 GFADRO C[C@@H]([NH2+]CCC1(CO)CCC1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000652312420 565921432 /nfs/dbraw/zinc/92/14/32/565921432.db2.gz OODCNINRNRYXQP-SNVBAGLBSA-N 1 0 381.325 2.844 20 0 GFADRO CCO[C@@H]1CN([C@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)C[C@H]1C[NH3+] ZINC000652358248 565924341 /nfs/dbraw/zinc/92/43/41/565924341.db2.gz NSGPHBSQCMIQCU-SFDCBXKLSA-N 1 0 388.339 2.855 20 0 GFADRO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCCN2CC(=O)Nc2ccc(Br)cc2)C1 ZINC000652360522 565924379 /nfs/dbraw/zinc/92/43/79/565924379.db2.gz KDZKHVDMNMBWJJ-DJIMGWMZSA-N 1 0 396.329 2.748 20 0 GFADRO Cc1cc(Br)sc1S(=O)(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000652367478 565924543 /nfs/dbraw/zinc/92/45/43/565924543.db2.gz ICIMDHHPHLQDAR-UHFFFAOYSA-N 1 0 393.372 2.973 20 0 GFADRO Cc1cc(Br)sc1S(=O)(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000652368520 565924615 /nfs/dbraw/zinc/92/46/15/565924615.db2.gz HJDHYYLSPDDICH-DCAQKATOSA-N 1 0 379.345 2.567 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c(Br)c1 ZINC000676272963 565931293 /nfs/dbraw/zinc/93/12/93/565931293.db2.gz QPOOAXWQGMIVFQ-KGLIPLIRSA-N 1 0 394.313 2.700 20 0 GFADRO COc1ccc(NC(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)cc1Br ZINC000604623071 565933959 /nfs/dbraw/zinc/93/39/59/565933959.db2.gz FSLSKBMIMWJXND-GJZGRUSLSA-N 1 0 398.301 2.521 20 0 GFADRO COc1ccc(NC(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c(Br)c1 ZINC000604621338 565934136 /nfs/dbraw/zinc/93/41/36/565934136.db2.gz PYHWOGPKFOHHDN-CVEARBPZSA-N 1 0 398.301 2.521 20 0 GFADRO CCO[C@@H]1CN(C(=O)Nc2cccc(Cl)c2Br)C[C@H]1C[NH3+] ZINC000652598957 565934970 /nfs/dbraw/zinc/93/49/70/565934970.db2.gz SEDBIRLVRJITCK-BXKDBHETSA-N 1 0 376.682 2.930 20 0 GFADRO CC(C)(C[NH2+]Cc1ccc(=O)[nH]c1)S(=O)(=O)c1ccc(Br)cc1 ZINC000631075048 565938289 /nfs/dbraw/zinc/93/82/89/565938289.db2.gz NXZDMCXBQSHBPC-UHFFFAOYSA-N 1 0 399.310 2.892 20 0 GFADRO C[C@H](C[NH2+]Cc1cn(C[C@H]2CCOC2)nn1)Oc1ccccc1Br ZINC000631081901 565938416 /nfs/dbraw/zinc/93/84/16/565938416.db2.gz BNDUTGAKUXOWBX-ZIAGYGMSSA-N 1 0 395.301 2.634 20 0 GFADRO COc1ccc(O[C@@H](C)C[NH2+]Cc2ccc(Cl)c(S(N)(=O)=O)c2)cc1 ZINC000631079979 565938938 /nfs/dbraw/zinc/93/89/38/565938938.db2.gz RNFBLZBKFZKNAE-LBPRGKRZSA-N 1 0 384.885 2.553 20 0 GFADRO O=S1(=O)CC[C@@]2(C1)C[C@@H]([NH2+]Cc1ccc(CC(F)(F)F)cc1)CCO2 ZINC000631108813 565941935 /nfs/dbraw/zinc/94/19/35/565941935.db2.gz TVPZNLFURGQTPT-HOTGVXAUSA-N 1 0 377.428 2.617 20 0 GFADRO CC[C@@H](Cc1cccc(Br)c1)C(=O)N1CCN(CC[NH+](C)C)CC1 ZINC000604972986 565942139 /nfs/dbraw/zinc/94/21/39/565942139.db2.gz QUZPPCSQPVWJJG-KRWDZBQOSA-N 1 0 396.373 2.724 20 0 GFADRO C[C@H](CC[NH+]1CCN(C)CC1)NCc1ncc(Br)cc1Cl ZINC000631114487 565943412 /nfs/dbraw/zinc/94/34/12/565943412.db2.gz WIJVWCRSCOISJJ-GFCCVEGCSA-N 1 0 375.742 2.613 20 0 GFADRO Cn1nc2c(c1C[NH2+]CCCS(=O)(=O)c1ccc(Cl)cc1)CCCC2 ZINC000631145376 565944548 /nfs/dbraw/zinc/94/45/48/565944548.db2.gz KHJAWZHLHXAXTH-UHFFFAOYSA-N 1 0 381.929 2.906 20 0 GFADRO Brc1cccc2c1C[C@@H]1[C@H]([NH2+]Cc3cn(C[C@H]4CCOC4)nn3)[C@H]21 ZINC000631190948 565946699 /nfs/dbraw/zinc/94/66/99/565946699.db2.gz FLBVXKZDEXCWGO-UKXQOQQMSA-N 1 0 389.297 2.505 20 0 GFADRO CN(CC[NH+]1CCCCC1)C(=O)CCNC(=O)c1ccc(Br)cc1 ZINC000652987005 565950888 /nfs/dbraw/zinc/95/08/88/565950888.db2.gz QESNQOBCPPTBMR-UHFFFAOYSA-N 1 0 396.329 2.513 20 0 GFADRO CN(CC[NH+]1CCCCC1)C(=O)c1cnc2ccc(Br)cc2c1O ZINC000652990099 565951201 /nfs/dbraw/zinc/95/12/01/565951201.db2.gz FQOPFQSSTFREOV-UHFFFAOYSA-N 1 0 392.297 2.849 20 0 GFADRO CC[C@H](C[NH+]1CCCC1)NC(=O)CSc1nnc(-c2cccs2)n1C ZINC000605371743 565951428 /nfs/dbraw/zinc/95/14/28/565951428.db2.gz BNLYVWWZESDCSI-CYBMUJFWSA-N 1 0 379.555 2.626 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653082003 565954447 /nfs/dbraw/zinc/95/44/47/565954447.db2.gz FYMZZGQFGONXAN-JKSUJKDBSA-N 1 0 394.313 2.733 20 0 GFADRO CCNS(=O)(=O)N(CC[NH+]1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC000605582269 565954592 /nfs/dbraw/zinc/95/45/92/565954592.db2.gz CXERRRXUJIHKIW-UHFFFAOYSA-N 1 0 380.341 2.746 20 0 GFADRO O=C(NC[C@@H]1CCN(c2ccc(Br)cc2)C1)[C@@H]1CCC[NH2+]CC1 ZINC000653112273 565955596 /nfs/dbraw/zinc/95/55/96/565955596.db2.gz SULNYGUGWGPYDO-LSDHHAIUSA-N 1 0 380.330 2.781 20 0 GFADRO Cc1c(Br)c2ccccc2n1CC(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000653134083 565956303 /nfs/dbraw/zinc/95/63/03/565956303.db2.gz LUMAVWNUYVELKM-DZGCQCFKSA-N 1 0 376.298 2.923 20 0 GFADRO COc1ccc(Br)c(C(=O)N2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)c1 ZINC000653190654 565958461 /nfs/dbraw/zinc/95/84/61/565958461.db2.gz MYINFEVRCLRZBN-GDZNZVCISA-N 1 0 397.313 2.816 20 0 GFADRO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCN(C(=O)c3ccc(F)cc3Br)C2)C1 ZINC000653189892 565958612 /nfs/dbraw/zinc/95/86/12/565958612.db2.gz CVRFZVSKSWZEJY-AXAPSJFSSA-N 1 0 385.277 2.947 20 0 GFADRO CCn1cc(Br)cc1C(=O)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000653189443 565958625 /nfs/dbraw/zinc/95/86/25/565958625.db2.gz XUEZEFXQYISONA-BJJXKVORSA-N 1 0 384.318 2.629 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(C(=O)Cc3ccc(Br)cc3)C2)C1 ZINC000653190746 565958643 /nfs/dbraw/zinc/95/86/43/565958643.db2.gz NWDYCJHBKFUZDI-UAGQMJEPSA-N 1 0 381.314 2.737 20 0 GFADRO CCO[C@@H]1CN(C(=O)c2ccc(Br)cc2OC(C)C)C[C@H]1C[NH3+] ZINC000653245867 565960436 /nfs/dbraw/zinc/96/04/36/565960436.db2.gz QTLAEOAOGNVFCG-MLGOLLRUSA-N 1 0 385.302 2.672 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2C(=O)c2cc(Br)ccc2O)C1 ZINC000653261420 565960711 /nfs/dbraw/zinc/96/07/11/565960711.db2.gz RIWTXTNVMPSMCD-INWMFGNUSA-N 1 0 383.286 2.656 20 0 GFADRO CCO[C@@H]1CN(C(=O)c2cc(C)nc3cc(Br)ccc32)C[C@H]1C[NH3+] ZINC000653247046 565960748 /nfs/dbraw/zinc/96/07/48/565960748.db2.gz JGTCLTXEDVFWHM-SJKOYZFVSA-N 1 0 392.297 2.742 20 0 GFADRO CC[N@@H+]1CCN(CC(=O)Nc2c(F)cc(F)cc2Br)C[C@H]1C ZINC000677192280 565964051 /nfs/dbraw/zinc/96/40/51/565964051.db2.gz SIWATFXVMPEGGW-SNVBAGLBSA-N 1 0 376.245 2.692 20 0 GFADRO Cc1ccc(C(=O)N(C)[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)c(Br)c1 ZINC000677248518 565966546 /nfs/dbraw/zinc/96/65/46/565966546.db2.gz XZONQJZFRXNQBE-INIZCTEOSA-N 1 0 394.357 2.998 20 0 GFADRO Brc1ccc2c(c1)C[C@@H]1[C@H]2[C@H]1[NH2+]C1CCN([C@@H]2CCOC2)CC1 ZINC000631701029 565968576 /nfs/dbraw/zinc/96/85/76/565968576.db2.gz GLYYOESCHAAHAD-YSHGAJCASA-N 1 0 377.326 2.930 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNS(=O)(=O)c2c[nH]c(=O)s2)cc1 ZINC000631751231 565971150 /nfs/dbraw/zinc/97/11/50/565971150.db2.gz WFNGLJIJKSKUEL-CYBMUJFWSA-N 1 0 381.523 2.702 20 0 GFADRO Cc1c(C(=O)N(C)CCCC[NH+](C)C)nnn1-c1cccc(Br)c1 ZINC000607034366 565976294 /nfs/dbraw/zinc/97/62/94/565976294.db2.gz DVZQMFIZNNMFIJ-UHFFFAOYSA-N 1 0 394.317 2.752 20 0 GFADRO CS(=O)(=O)c1ccc(-c2nc(CN3CCCCC[C@H]([NH3+])C3)cs2)cc1 ZINC000631833719 565977822 /nfs/dbraw/zinc/97/78/22/565977822.db2.gz HCDDMQWYCZGCRQ-HNNXBMFYSA-N 1 0 379.551 2.917 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2cccc(Br)c2)C[C@@H]1C ZINC000607161235 565979268 /nfs/dbraw/zinc/97/92/68/565979268.db2.gz MHTSIEQWVAFTMO-JSGCOSHPSA-N 1 0 375.332 2.942 20 0 GFADRO CC(C)[NH2+]C1(CO)CCN(C[C@@H](O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000653729191 565980086 /nfs/dbraw/zinc/98/00/86/565980086.db2.gz ZOGXNXYMLJXNGM-CQSZACIVSA-N 1 0 391.339 2.558 20 0 GFADRO Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC000607166602 565980125 /nfs/dbraw/zinc/98/01/25/565980125.db2.gz XBGVISYQVUPLQY-INIZCTEOSA-N 1 0 381.929 2.726 20 0 GFADRO CC(C)[NH2+][C@@H]1CCCN(C(=O)Nc2ccc(NS(C)(=O)=O)c(Cl)c2)C1 ZINC000607216622 565981597 /nfs/dbraw/zinc/98/15/97/565981597.db2.gz HJSLNHUUSACJPH-CYBMUJFWSA-N 1 0 388.921 2.706 20 0 GFADRO COC1CC[NH+](C(C)(C)CNS(=O)(=O)C[C@H]2CCCC(F)(F)C2)CC1 ZINC000631923700 565983354 /nfs/dbraw/zinc/98/33/54/565983354.db2.gz WWXYPTVFASAGPZ-AWEZNQCLSA-N 1 0 382.517 2.621 20 0 GFADRO O=S(=O)(c1cscc1Br)N1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000631943576 565984511 /nfs/dbraw/zinc/98/45/11/565984511.db2.gz ZZSBCUOYEBGAME-RYUDHWBXSA-N 1 0 379.345 2.806 20 0 GFADRO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1oc2ccccc2c1Br ZINC000631960528 565986544 /nfs/dbraw/zinc/98/65/44/565986544.db2.gz REMFNWKUBQQEHV-LBPRGKRZSA-N 1 0 381.270 2.772 20 0 GFADRO O=c1[nH]cc(S(=O)(=O)NCc2ccccc2C[NH+]2CCCCCC2)s1 ZINC000631955526 565986632 /nfs/dbraw/zinc/98/66/32/565986632.db2.gz MKVILVCLVGEQPL-UHFFFAOYSA-N 1 0 381.523 2.703 20 0 GFADRO C[NH+](C)C[C@@H]1CCN(S(=O)(=O)c2ccc(C(F)(F)C(F)(F)F)cc2)C1 ZINC000631964341 565986725 /nfs/dbraw/zinc/98/67/25/565986725.db2.gz AXYLIXAWHXDUNH-NSHDSACASA-N 1 0 386.386 2.913 20 0 GFADRO CC1(C)C[NH2+]CC[C@@H](NS(=O)(=O)Cc2cc(F)ccc2Br)C1 ZINC000631976571 565987457 /nfs/dbraw/zinc/98/74/57/565987457.db2.gz AOQXXBKACAPSDW-CYBMUJFWSA-N 1 0 393.322 2.786 20 0 GFADRO CCOCCC[N@@H+]1CC[C@@H](NS(=O)(=O)c2ccc(C(F)F)o2)[C@@H](C)C1 ZINC000631977982 565988019 /nfs/dbraw/zinc/98/80/19/565988019.db2.gz YFPCBCLJPUSZDJ-QWHCGFSZSA-N 1 0 380.457 2.633 20 0 GFADRO C[C@@H]1C[C@H]([NH3+])CN1S(=O)(=O)c1cc(C(F)(F)F)ccc1Br ZINC000631972594 565988113 /nfs/dbraw/zinc/98/81/13/565988113.db2.gz HILPRUFJIWOOKI-APPZFPTMSA-N 1 0 387.221 2.578 20 0 GFADRO Cc1c(Br)cccc1CNC(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000654012984 565991010 /nfs/dbraw/zinc/99/10/10/565991010.db2.gz NHBIWNNRKNHSIE-UHFFFAOYSA-N 1 0 380.290 2.837 20 0 GFADRO C[NH+](C)CC1CCN(S(=O)(=O)Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000678040413 565995599 /nfs/dbraw/zinc/99/55/99/565995599.db2.gz UIQGXKDPFCODON-UHFFFAOYSA-N 1 0 380.432 2.689 20 0 GFADRO Cc1ccc(C[NH2+][C@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)cc1Br ZINC000678075986 565997703 /nfs/dbraw/zinc/99/77/03/565997703.db2.gz JDBPCPKLECIEQB-WBMJQRKESA-N 1 0 377.286 2.775 20 0 GFADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)N[C@@H](CO)c1ccc(Br)cc1 ZINC000678113492 565999534 /nfs/dbraw/zinc/99/95/34/565999534.db2.gz DOVMNIFVMYTNHL-HOTGVXAUSA-N 1 0 384.318 2.656 20 0 GFADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)NCCCc1c(Cl)cccc1Cl ZINC000654433214 566009803 /nfs/dbraw/zinc/00/98/03/566009803.db2.gz YUQSIFFMUIKNDB-AWEZNQCLSA-N 1 0 387.355 2.861 20 0 GFADRO O[C@H](C[NH2+]Cc1nc2c(s1)CCC2)COc1ccccc1Br ZINC000678496693 566012040 /nfs/dbraw/zinc/01/20/40/566012040.db2.gz OIUVOVMFTGZEBC-LLVKDONJSA-N 1 0 383.311 2.924 20 0 GFADRO O=S1(=O)CCCN1CCC[NH2+][C@H]1CCCc2ccc(Br)cc21 ZINC000678582569 566013210 /nfs/dbraw/zinc/01/32/10/566013210.db2.gz LBJWZQIPYDGBNA-INIZCTEOSA-N 1 0 387.343 2.842 20 0 GFADRO O=C(NCC[NH+]1CCCC1)C(=O)Nc1ccc(Br)c2ccccc12 ZINC000678674451 566015957 /nfs/dbraw/zinc/01/59/57/566015957.db2.gz CSRBLMCNUUALFH-UHFFFAOYSA-N 1 0 390.281 2.753 20 0 GFADRO C[NH+]1CCN(CCCS(=O)(=O)N(c2ccsc2)C2CCCCC2)CC1 ZINC000632284953 566017248 /nfs/dbraw/zinc/01/72/48/566017248.db2.gz YPMMQWMAKVCKEL-UHFFFAOYSA-N 1 0 385.599 2.855 20 0 GFADRO C[C@H](CNC(=O)NC[C@H]1CCC[N@H+](C)C1)Oc1ccc(Br)cc1 ZINC000608675519 566021151 /nfs/dbraw/zinc/02/11/51/566021151.db2.gz GVFCRJIXCLUZEX-ZIAGYGMSSA-N 1 0 384.318 2.857 20 0 GFADRO C[N@@H+]1CC[C@H]2CCN(C(=O)c3ccc4cncc(Br)c4n3)[C@@H]2C1 ZINC000632337393 566022379 /nfs/dbraw/zinc/02/23/79/566022379.db2.gz NVZPYTNACPJPMK-XHDPSFHLSA-N 1 0 375.270 2.559 20 0 GFADRO Cc1cc(S(=O)(=O)N2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)sn1 ZINC000632332563 566022663 /nfs/dbraw/zinc/02/26/63/566022663.db2.gz QWWDTMMYQGAVJT-GOSISDBHSA-N 1 0 377.535 2.738 20 0 GFADRO CC(C)C([NH2+]CC(=O)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1)C(C)C ZINC000678899772 566023937 /nfs/dbraw/zinc/02/39/37/566023937.db2.gz AXMRPIPWPZOWCV-HNNXBMFYSA-N 1 0 386.583 2.534 20 0 GFADRO CSc1cc(Br)ccc1C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000654860289 566025894 /nfs/dbraw/zinc/02/58/94/566025894.db2.gz FEAWUDZBQANEOJ-ZDUSSCGKSA-N 1 0 399.354 2.965 20 0 GFADRO CO[C@@H](C(=O)NC[C@]1([NH+](C)C)CCSC1)c1ccccc1Br ZINC000654856256 566026252 /nfs/dbraw/zinc/02/62/52/566026252.db2.gz YGLSTGSYAIZZJR-GDBMZVCRSA-N 1 0 387.343 2.690 20 0 GFADRO C[NH+](C)CC1CN(S(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 ZINC000632382050 566026650 /nfs/dbraw/zinc/02/66/50/566026650.db2.gz YXOZGBXTROTQMI-UHFFFAOYSA-N 1 0 390.349 2.906 20 0 GFADRO C[C@@H](C(=O)N1CCN(C(=O)c2cc3sccc3s2)CC1)[NH+]1CC(C)C1 ZINC000654901399 566027789 /nfs/dbraw/zinc/02/77/89/566027789.db2.gz XELXDHDRAPMSMI-ZDUSSCGKSA-N 1 0 377.535 2.587 20 0 GFADRO Cc1nc(C(=O)N2CC[C@H](OCC[NH+]3CCCC3)C2)c(Br)s1 ZINC000654906341 566027897 /nfs/dbraw/zinc/02/78/97/566027897.db2.gz LNPZDNZZRNNDLS-LBPRGKRZSA-N 1 0 388.331 2.541 20 0 GFADRO Cc1nc(C(=O)N2CC[C@@H](OCC[NH+]3CCCC3)C2)c(Br)s1 ZINC000654906340 566028355 /nfs/dbraw/zinc/02/83/55/566028355.db2.gz LNPZDNZZRNNDLS-GFCCVEGCSA-N 1 0 388.331 2.541 20 0 GFADRO C[C@H](NS(=O)(=O)CCC[NH+](C)C)c1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC000632407667 566029580 /nfs/dbraw/zinc/02/95/80/566029580.db2.gz BGNKNSGWWGQGPE-VIFPVBQESA-N 1 0 379.313 2.802 20 0 GFADRO C[N@@H+]1CCC[C@@H](NC(=O)c2ccc(I)cc2Cl)C1 ZINC000609077059 566030046 /nfs/dbraw/zinc/03/00/46/566030046.db2.gz VUKDCQSXJJFFCM-SNVBAGLBSA-N 1 0 378.641 2.769 20 0 GFADRO CCOc1cc(C[NH2+][C@](C)(CO)COC)cc(Br)c1OC(F)F ZINC000679117500 566030379 /nfs/dbraw/zinc/03/03/79/566030379.db2.gz IHONACPZYDWZIU-OAHLLOKOSA-N 1 0 398.244 2.936 20 0 GFADRO CC[N@H+](CCNC(=O)c1ccc(I)c(F)c1)C1CC1 ZINC000609175283 566032053 /nfs/dbraw/zinc/03/20/53/566032053.db2.gz LNYQRCHKLFQYBK-UHFFFAOYSA-N 1 0 376.213 2.644 20 0 GFADRO COCCN(CC[NH+](C)C)C(=O)CSCc1ccc(Br)cc1 ZINC000609189452 566032283 /nfs/dbraw/zinc/03/22/83/566032283.db2.gz WPJLSXDAOYHGNO-UHFFFAOYSA-N 1 0 389.359 2.719 20 0 GFADRO COc1cc(Br)c(CN2CCC[N@H+](C[C@H]3CCCO3)CC2)cc1O ZINC000679328269 566038237 /nfs/dbraw/zinc/03/82/37/566038237.db2.gz APSMOMKKENUBKA-OAHLLOKOSA-N 1 0 399.329 2.850 20 0 GFADRO CN(C(=O)c1cc(F)ccc1I)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000609508943 566041487 /nfs/dbraw/zinc/04/14/87/566041487.db2.gz APKXWHPTNRELDC-GFCCVEGCSA-N 1 0 388.224 2.739 20 0 GFADRO COc1cc(Br)ccc1C[NH2+][C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000679749832 566051545 /nfs/dbraw/zinc/05/15/45/566051545.db2.gz LBSJAQKATYNNGZ-KGLIPLIRSA-N 1 0 376.316 2.903 20 0 GFADRO O=C(Nc1cc(Br)ccc1N1CCOCC1)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000655442858 566056993 /nfs/dbraw/zinc/05/69/93/566056993.db2.gz DKQFMVORTGBDLV-KBXCAEBGSA-N 1 0 394.313 2.614 20 0 GFADRO O=C([C@@H]1C[C@@]12CCC[NH2+]C2)N1CCN(Cc2ccc(Br)s2)CC1 ZINC000655442864 566057599 /nfs/dbraw/zinc/05/75/99/566057599.db2.gz DKTOETDDPNWNQC-WMLDXEAASA-N 1 0 398.370 2.545 20 0 GFADRO Cc1c(Br)cccc1CS(=O)(=O)N1CCC([NH+](C)C)CC1 ZINC000655474143 566058310 /nfs/dbraw/zinc/05/83/10/566058310.db2.gz WTWAMZREFOWGMB-UHFFFAOYSA-N 1 0 375.332 2.613 20 0 GFADRO COCCNC(=O)C1CC[NH+](CCCc2ccccc2Br)CC1 ZINC000680046544 566059537 /nfs/dbraw/zinc/05/95/37/566059537.db2.gz JLYCTWUQUZIJHU-UHFFFAOYSA-N 1 0 383.330 2.856 20 0 GFADRO Cc1c(Br)cccc1CS(=O)(=O)N(C)CC[NH+]1CCCC1 ZINC000655500100 566060771 /nfs/dbraw/zinc/06/07/71/566060771.db2.gz KTZQCBSBKHPFQO-UHFFFAOYSA-N 1 0 375.332 2.615 20 0 GFADRO CC[C@H]1C[N@H+](C)CCCN1C(=O)c1ccc2cncc(Br)c2n1 ZINC000632820211 566070052 /nfs/dbraw/zinc/07/00/52/566070052.db2.gz FTAYRGDPXRLGJN-ZDUSSCGKSA-N 1 0 377.286 2.949 20 0 GFADRO Cc1cc(Br)cn2cc(CCNC(=O)[C@@H]3CCCC[N@H+]3C)nc12 ZINC000680459349 566071489 /nfs/dbraw/zinc/07/14/89/566071489.db2.gz PSYUSCAHNHKXGX-HNNXBMFYSA-N 1 0 379.302 2.548 20 0 GFADRO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)Nc1ccnn1Cc1cccc(Br)c1 ZINC000632937303 566075674 /nfs/dbraw/zinc/07/56/74/566075674.db2.gz YOUNYMWAVSMZFE-BXUZGUMPSA-N 1 0 378.274 2.647 20 0 GFADRO C[C@H](NC(=O)c1cnn(CC[NH+](C)C)c1)c1ccc(Br)cc1F ZINC000633058486 566081436 /nfs/dbraw/zinc/08/14/36/566081436.db2.gz LONLSMUCSNARAW-NSHDSACASA-N 1 0 383.265 2.837 20 0 GFADRO Cc1nn(-c2cccc(Br)c2)cc1C[NH2+]CCCN1CCOCC1 ZINC000655704210 566082753 /nfs/dbraw/zinc/08/27/53/566082753.db2.gz SWXHALGJRQQYQO-UHFFFAOYSA-N 1 0 393.329 2.755 20 0 GFADRO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)N[C@H]1[C@@H]2Cc3cc(Br)ccc3[C@@H]21 ZINC000633075756 566082961 /nfs/dbraw/zinc/08/29/61/566082961.db2.gz CLBMGCLRHJHBGY-CITFOPHVSA-N 1 0 390.325 2.871 20 0 GFADRO C[C@@H]1CC[C@H]([NH2+]Cc2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)CS1 ZINC000655701484 566083183 /nfs/dbraw/zinc/08/31/83/566083183.db2.gz FWSMVZRAIZZQFF-PVAVHDDUSA-N 1 0 384.567 2.518 20 0 GFADRO COC(=O)[C@H](c1ccc(Cl)cc1Cl)N1CC[NH+](C(C)(C)CO)CC1 ZINC000610480989 566083281 /nfs/dbraw/zinc/08/32/81/566083281.db2.gz CXZGQOQIBSFOAV-HNNXBMFYSA-N 1 0 375.296 2.596 20 0 GFADRO CCS(=O)(=O)N(C)CCC[NH2+]Cc1cn(-c2ccccc2Cl)nc1C ZINC000655711582 566083496 /nfs/dbraw/zinc/08/34/96/566083496.db2.gz IDAXLCRZMLCZHI-UHFFFAOYSA-N 1 0 384.933 2.595 20 0 GFADRO CCS(=O)(=O)N(C)CCC[NH2+]Cc1oc2ccccc2c1Br ZINC000655712759 566083927 /nfs/dbraw/zinc/08/39/27/566083927.db2.gz RWVCEPJMQIHBNE-UHFFFAOYSA-N 1 0 389.315 2.957 20 0 GFADRO C[C@H]1C[C@H](NC(=O)N[C@@H]2[C@H]3Cc4cc(Br)ccc4[C@@H]23)CC[N@@H+]1C ZINC000633091216 566084099 /nfs/dbraw/zinc/08/40/99/566084099.db2.gz CAVWFLBWGSMHKC-VFPYKDBSSA-N 1 0 378.314 2.869 20 0 GFADRO CCc1ncc(S(=O)(=O)NCC2CC[NH+](Cc3ccccc3)CC2)s1 ZINC000680858807 566085402 /nfs/dbraw/zinc/08/54/02/566085402.db2.gz FHCMWYRKAXXJPS-UHFFFAOYSA-N 1 0 379.551 2.896 20 0 GFADRO Cc1nn(-c2ccccc2Br)cc1C[NH2+][C@H](C)[C@H]1CN(C)CCO1 ZINC000655747791 566085380 /nfs/dbraw/zinc/08/53/80/566085380.db2.gz XISJVMURWDPJFT-RDTXWAMCSA-N 1 0 393.329 2.752 20 0 GFADRO Cc1nn(-c2cccc(Br)c2)cc1C[NH2+][C@@H](C)[C@@H]1CN(C)CCO1 ZINC000655747772 566085597 /nfs/dbraw/zinc/08/55/97/566085597.db2.gz WUJYVTURUTYBIU-KSSFIOAISA-N 1 0 393.329 2.752 20 0 GFADRO O=C(Nc1cccc(C[N@H+]2CC[C@@H](O)C2)c1)c1c(F)cncc1Br ZINC000633157272 566085952 /nfs/dbraw/zinc/08/59/52/566085952.db2.gz MUPFFBKMANADQK-CYBMUJFWSA-N 1 0 394.244 2.802 20 0 GFADRO Cc1ccc(-c2ncc(C[NH2+]C[C@H]3CCCN3S(C)(=O)=O)s2)cc1C ZINC000655753392 566086990 /nfs/dbraw/zinc/08/69/90/566086990.db2.gz ZVVNOKYWAKILQJ-MRXNPFEDSA-N 1 0 379.551 2.941 20 0 GFADRO Cc1nn(-c2cccc(Br)c2)cc1C[NH2+]C[C@@]1(O)CCO[C@@H]1C ZINC000655767944 566087078 /nfs/dbraw/zinc/08/70/78/566087078.db2.gz ALJSIDCTBYCAFS-DYVFJYSZSA-N 1 0 380.286 2.573 20 0 GFADRO C[C@@H](C(=O)Nc1ccc(Br)c(I)c1)[NH+](C)C ZINC000610560675 566087544 /nfs/dbraw/zinc/08/75/44/566087544.db2.gz QUFXNHWVFJPKQV-ZETCQYMHSA-N 1 0 397.054 2.942 20 0 GFADRO Cc1nn(-c2ccccc2Br)cc1C[NH2+][C@@H](C)C(=O)NCCF ZINC000655770021 566088738 /nfs/dbraw/zinc/08/87/38/566088738.db2.gz WFOFTVGCIXCDOC-LBPRGKRZSA-N 1 0 383.265 2.507 20 0 GFADRO COC(=O)Cc1csc(NC(=O)N(CC[NH+](C)C)Cc2cccs2)n1 ZINC000610613579 566090100 /nfs/dbraw/zinc/09/01/00/566090100.db2.gz NIXPIQCXZGOYSC-UHFFFAOYSA-N 1 0 382.511 2.516 20 0 GFADRO Cn1nnc2c1CC[C@@H]([NH2+]Cc1nc(-c3ccc(Br)cc3)c[nH]1)C2 ZINC000655842213 566092531 /nfs/dbraw/zinc/09/25/31/566092531.db2.gz OBXYWJAWPCFRAC-CYBMUJFWSA-N 1 0 387.285 2.615 20 0 GFADRO CCC1([NH+]2CCCC2)CCN(C(=O)NCc2nn(C)cc2Br)CC1 ZINC000633280618 566094036 /nfs/dbraw/zinc/09/40/36/566094036.db2.gz WWOSIKZWTHFWNL-UHFFFAOYSA-N 1 0 398.349 2.733 20 0 GFADRO CCc1csc(CC2CCN(C(=O)N[C@@H](CC[NH3+])C(F)(F)F)CC2)n1 ZINC000655910113 566094368 /nfs/dbraw/zinc/09/43/68/566094368.db2.gz UEQCVKZAUNYITF-ZDUSSCGKSA-N 1 0 378.464 2.949 20 0 GFADRO [NH3+]C[C@H](NC(=O)NCCc1ccc(Br)cc1Cl)C(F)(F)F ZINC000655927587 566096746 /nfs/dbraw/zinc/09/67/46/566096746.db2.gz PDGOOXNWDMZMRL-JTQLQIEISA-N 1 0 388.615 2.834 20 0 GFADRO [NH3+]C[C@@H](NC(=O)N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1)C(F)(F)F ZINC000655922589 566096863 /nfs/dbraw/zinc/09/68/63/566096863.db2.gz QXLKVOISKIAMDN-PRHODGIISA-N 1 0 385.217 2.761 20 0 GFADRO Cc1c(Br)cccc1CS(=O)(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000655949738 566097835 /nfs/dbraw/zinc/09/78/35/566097835.db2.gz AOXIMLLMUBYVJW-JGGQBBKZSA-N 1 0 387.343 2.647 20 0 GFADRO [NH3+]C[C@H](NC(=O)N[C@H]1CCc2c1ccc(F)c2Br)C(F)(F)F ZINC000655932434 566098278 /nfs/dbraw/zinc/09/82/78/566098278.db2.gz VPDDLMZGMWDYRZ-UWVGGRQHSA-N 1 0 384.171 2.764 20 0 GFADRO Cc1c(Br)cccc1CS(=O)(=O)NCC1(C)CC[NH2+]CC1 ZINC000655952240 566099374 /nfs/dbraw/zinc/09/93/74/566099374.db2.gz LCYQIIZJRJWBMN-UHFFFAOYSA-N 1 0 375.332 2.567 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)NCCCc1c(Cl)cccc1Cl ZINC000656029655 566101220 /nfs/dbraw/zinc/10/12/20/566101220.db2.gz CUEQJIDRIFTCHM-WBMJQRKESA-N 1 0 386.323 2.771 20 0 GFADRO Cc1nc(CS(=O)(=O)NC2CC[NH+](Cc3ccccc3C)CC2)cs1 ZINC000681313207 566101307 /nfs/dbraw/zinc/10/13/07/566101307.db2.gz PWPFXEGAKFFFPV-UHFFFAOYSA-N 1 0 379.551 2.844 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)NCCCc2c(Cl)cccc2Cl)C1 ZINC000656029604 566101545 /nfs/dbraw/zinc/10/15/45/566101545.db2.gz ARRFJJGOQBWPET-CHWSQXEVSA-N 1 0 386.323 2.628 20 0 GFADRO C[NH+](C)CCn1cc(C(=O)N2CC(Oc3cccc(Cl)c3Cl)C2)cn1 ZINC000633620222 566111370 /nfs/dbraw/zinc/11/13/70/566111370.db2.gz QWBYOFJXLQHVRS-UHFFFAOYSA-N 1 0 383.279 2.655 20 0 GFADRO CN(C)C(=O)CC[NH+]1CCN(Cc2oc3ccccc3c2Br)CC1 ZINC000656254172 566117510 /nfs/dbraw/zinc/11/75/10/566117510.db2.gz CLMQNIDLTXODQE-UHFFFAOYSA-N 1 0 394.313 2.791 20 0 GFADRO COC1(CO)CC[NH+](Cc2cn(-c3cccc(Br)c3)nc2C)CC1 ZINC000656257214 566118314 /nfs/dbraw/zinc/11/83/14/566118314.db2.gz FEGWFQBVEUYXIR-UHFFFAOYSA-N 1 0 394.313 2.917 20 0 GFADRO CC[NH+]1CCC(CNC(=O)NCc2ccc(Br)cc2OC)CC1 ZINC000681654732 566119501 /nfs/dbraw/zinc/11/95/01/566119501.db2.gz JPMRDBUVZXWZJW-UHFFFAOYSA-N 1 0 384.318 2.989 20 0 GFADRO Cc1nn(-c2ccccc2Br)cc1C[N@H+]1CC[C@H](C(=O)N(C)C)C1 ZINC000656263222 566121024 /nfs/dbraw/zinc/12/10/24/566121024.db2.gz DZYVJHBVQDLUIP-AWEZNQCLSA-N 1 0 391.313 2.853 20 0 GFADRO CCC1([NH+]2CCCC2)CCN(C(=O)CCn2cc(Br)cn2)CC1 ZINC000633953164 566132982 /nfs/dbraw/zinc/13/29/82/566132982.db2.gz XFUZXONYKXZZDF-UHFFFAOYSA-N 1 0 383.334 2.903 20 0 GFADRO CCC[NH+]1CCC(NC(=O)c2cnc3ncc(Br)cc3c2)CC1 ZINC000681948736 566133996 /nfs/dbraw/zinc/13/39/96/566133996.db2.gz IMGLXVIXYPKLKL-UHFFFAOYSA-N 1 0 377.286 2.997 20 0 GFADRO CN(C(=O)c1cnc2ncc(Br)cc2c1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000682001743 566137760 /nfs/dbraw/zinc/13/77/60/566137760.db2.gz ICFPQFXGENFFKF-HNNXBMFYSA-N 1 0 375.270 2.701 20 0 GFADRO COc1cccc(OC(F)(F)F)c1C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000611924855 566145278 /nfs/dbraw/zinc/14/52/78/566145278.db2.gz IEKZOSGVKXQOOW-HNNXBMFYSA-N 1 0 378.416 2.761 20 0 GFADRO CS(=O)(=O)c1cccc(Cl)c1C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000682201218 566148282 /nfs/dbraw/zinc/14/82/82/566148282.db2.gz HMNOLUYREIPRCB-UHFFFAOYSA-N 1 0 376.825 2.577 20 0 GFADRO CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)Nc2c(F)cccc2Br)C1 ZINC000682353152 566151949 /nfs/dbraw/zinc/15/19/49/566151949.db2.gz UMHLJNNSINABRP-LLVKDONJSA-N 1 0 386.265 2.516 20 0 GFADRO C[C@@H](C(=O)N(C)Cc1cccc(Br)c1OC[C@@H]1CCCO1)[NH+](C)C ZINC000682392898 566152751 /nfs/dbraw/zinc/15/27/51/566152751.db2.gz AVJKFYLWICFWAL-ZFWWWQNUSA-N 1 0 399.329 2.915 20 0 GFADRO COc1cc(Br)ccc1[C@@H](C)[NH2+]CC(=O)N1CCOC[C@@H]1C1CC1 ZINC000682540247 566161827 /nfs/dbraw/zinc/16/18/27/566161827.db2.gz LXEURCRQUAUIEE-MLGOLLRUSA-N 1 0 397.313 2.746 20 0 GFADRO CC(C)C(=O)N1CCC([NH2+]C[C@@H](O)COc2cc(Cl)cc(Cl)c2)CC1 ZINC000634640644 566162191 /nfs/dbraw/zinc/16/21/91/566162191.db2.gz DAWYCTAXBMTEAA-MRXNPFEDSA-N 1 0 389.323 2.970 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@H]1NS(=O)(=O)c1cc(Br)ccc1Cl ZINC000682670522 566167577 /nfs/dbraw/zinc/16/75/77/566167577.db2.gz YEBCSLPCFXHINR-VXGBXAGGSA-N 1 0 381.723 2.864 20 0 GFADRO C[NH+](C)CC(C)(C)CNS(=O)(=O)Cc1cc(F)ccc1Br ZINC000656861695 566169410 /nfs/dbraw/zinc/16/94/10/566169410.db2.gz SSLSVRBVUHBLPP-UHFFFAOYSA-N 1 0 381.311 2.595 20 0 GFADRO CNC(=O)c1cccc(C[NH2+]C[C@@H](O)COc2cc(Cl)cc(Cl)c2)c1 ZINC000634699578 566170380 /nfs/dbraw/zinc/17/03/80/566170380.db2.gz MBBPCDJXEZLBNX-MRXNPFEDSA-N 1 0 383.275 2.883 20 0 GFADRO CC(=O)N1CCC[C@@H](C[NH2+]C[C@@H](O)COc2cc(Cl)cc(Cl)c2)C1 ZINC000634713087 566171654 /nfs/dbraw/zinc/17/16/54/566171654.db2.gz QCBDTVPOMMQBGK-XJKSGUPXSA-N 1 0 375.296 2.581 20 0 GFADRO O[C@@H](C[NH2+]CCc1cn2c(n1)SCC2)COc1cc(Cl)cc(Cl)c1 ZINC000634710795 566171835 /nfs/dbraw/zinc/17/18/35/566171835.db2.gz FASHZGTWEKTARC-AWEZNQCLSA-N 1 0 388.320 2.868 20 0 GFADRO O=C(N[C@]12CCC[C@@H]1C[NH2+]C2)c1cc(=O)[nH]c2c(Br)cccc12 ZINC000634767739 566175050 /nfs/dbraw/zinc/17/50/50/566175050.db2.gz IEUWNAVXPNUIPT-QGHHPUGFSA-N 1 0 376.254 2.575 20 0 GFADRO C[C@@]([NH3+])(C(=O)N1CCO[C@@H](C(F)F)CC1)c1ccc(Br)cc1 ZINC000634753081 566175058 /nfs/dbraw/zinc/17/50/58/566175058.db2.gz YAELAKJNJHOUGK-DOMZBBRYSA-N 1 0 377.229 2.506 20 0 GFADRO C[C@@H](CC(F)(F)F)CS(=O)(=O)NCc1ccccc1OCC[NH+](C)C ZINC000656888893 566175462 /nfs/dbraw/zinc/17/54/62/566175462.db2.gz WVLDITSDEFDCIU-ZDUSSCGKSA-N 1 0 382.448 2.635 20 0 GFADRO O=C(N[C@@H]1CC12CC[NH2+]CC2)NC1(Cc2ccccc2Br)CC1 ZINC000612983147 566181339 /nfs/dbraw/zinc/18/13/39/566181339.db2.gz NBPZUUAQWZBIKE-OAHLLOKOSA-N 1 0 378.314 2.966 20 0 GFADRO COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)N[C@H](C)C1CC[NH+](C)CC1 ZINC000683022998 566182033 /nfs/dbraw/zinc/18/20/33/566182033.db2.gz XVTSNPXFCKSMLS-SNVBAGLBSA-N 1 0 388.295 2.787 20 0 GFADRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)S(=O)(=O)Cc1cc(F)ccc1Br ZINC000656916520 566183438 /nfs/dbraw/zinc/18/34/38/566183438.db2.gz SSAHOZSXATYVLH-XHDPSFHLSA-N 1 0 393.322 2.690 20 0 GFADRO C[C@@H]1OCC[C@@]1(C)[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000683147305 566185688 /nfs/dbraw/zinc/18/56/88/566185688.db2.gz WMYRQUUCABDNQG-JVLSTEMRSA-N 1 0 378.694 2.999 20 0 GFADRO C[C@@H]1OCC[C@@]1(C)[NH2+]C[C@H](O)COc1ccc(Cl)cc1Br ZINC000683147304 566185729 /nfs/dbraw/zinc/18/57/29/566185729.db2.gz WMYRQUUCABDNQG-ITDIGPHOSA-N 1 0 378.694 2.999 20 0 GFADRO C[C@H](C[NH2+][C@@H]1CCCS(=O)(=O)CC1)Oc1cccc(Br)c1 ZINC000634965864 566185754 /nfs/dbraw/zinc/18/57/54/566185754.db2.gz WAVDZEACHSQSDM-TZMCWYRMSA-N 1 0 376.316 2.773 20 0 GFADRO Cc1nnc(CC(=O)NC[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)s1 ZINC000613130107 566185860 /nfs/dbraw/zinc/18/58/60/566185860.db2.gz XHVVAUXTEYVIJG-SJKOYZFVSA-N 1 0 382.892 2.991 20 0 GFADRO O=S1(=O)CCC[C@@H]([NH2+][C@@H]2CCN(c3ccccc3C(F)(F)F)C2)CC1 ZINC000634977290 566187227 /nfs/dbraw/zinc/18/72/27/566187227.db2.gz VZBOXDKFZWDPED-ZIAGYGMSSA-N 1 0 376.444 2.841 20 0 GFADRO O=S(=O)(N[C@@H]1CC[N@H+](CC2CC2)C1)c1ccc(Cl)c(Br)c1 ZINC000683196557 566187437 /nfs/dbraw/zinc/18/74/37/566187437.db2.gz LJGFIMKKWQOPBN-LLVKDONJSA-N 1 0 393.734 2.865 20 0 GFADRO CN(CC(=O)Nc1ccccc1Br)C(=O)[C@H]1CC[N@@H+]1C1CCCC1 ZINC000635107531 566194291 /nfs/dbraw/zinc/19/42/91/566194291.db2.gz TZDWOJFAFIIFJG-MRXNPFEDSA-N 1 0 394.313 2.863 20 0 GFADRO O[C@H](COc1ccc(Br)cc1)C[N@@H+]1CCC[C@@H](c2ccncn2)C1 ZINC000613380531 566196189 /nfs/dbraw/zinc/19/61/89/566196189.db2.gz ASDKSZCRODAFBW-ZBFHGGJFSA-N 1 0 392.297 2.858 20 0 GFADRO Nc1c(Cl)c(F)cc(C(=O)N2CCN(CC[NH+]3CCCC3)CC2)c1Cl ZINC000635148903 566196523 /nfs/dbraw/zinc/19/65/23/566196523.db2.gz KFUGORGXHRHRKH-UHFFFAOYSA-N 1 0 389.302 2.568 20 0 GFADRO Brc1cc2c(cc1CN1CCC[N@H+](C[C@@H]3CCCO3)CC1)OCO2 ZINC000613422708 566197420 /nfs/dbraw/zinc/19/74/20/566197420.db2.gz JBRAGRLNMJRHFD-HNNXBMFYSA-N 1 0 397.313 2.865 20 0 GFADRO COC1CC[NH+](C(C)(C)CNC(=O)c2ncc(Br)s2)CC1 ZINC000683407624 566198755 /nfs/dbraw/zinc/19/87/55/566198755.db2.gz LRUVWCCOYFJHBM-UHFFFAOYSA-N 1 0 376.320 2.525 20 0 GFADRO CC(C)[N@@H+]1CCC[C@H](NC(=O)c2cc(Br)cc3c2OCCO3)C1 ZINC000613575885 566202951 /nfs/dbraw/zinc/20/29/51/566202951.db2.gz FVAIJCCPLUHXRH-ZDUSSCGKSA-N 1 0 383.286 2.823 20 0 GFADRO C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)c2cc[nH]c(=O)c2Br)C1 ZINC000683623462 566206937 /nfs/dbraw/zinc/20/69/37/566206937.db2.gz KQMRFRXPQAFYJU-AWEZNQCLSA-N 1 0 390.281 2.896 20 0 GFADRO C[C@@H]1COCCN1C1CCN(S(=O)(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000657028195 566207976 /nfs/dbraw/zinc/20/79/76/566207976.db2.gz SXHCUBPJBXAEHP-GFCCVEGCSA-N 1 0 393.336 2.867 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@@H](CNS(=O)(=O)c2cccc(OC(F)(F)F)c2)C1 ZINC000657035715 566210599 /nfs/dbraw/zinc/21/05/99/566210599.db2.gz YPWUKYOWQYLQKC-LBPRGKRZSA-N 1 0 380.432 2.984 20 0 GFADRO COC1CC[NH+](CCNC(=O)N[C@@H](C)c2nc(C(F)(F)F)cs2)CC1 ZINC000683858907 566216356 /nfs/dbraw/zinc/21/63/56/566216356.db2.gz ZBJRERMQXDJLCY-JTQLQIEISA-N 1 0 380.436 2.633 20 0 GFADRO COCC[N@@H+]1CCC[C@H](NC(=O)c2c(F)ccc(Br)c2F)C1 ZINC000683849111 566216402 /nfs/dbraw/zinc/21/64/02/566216402.db2.gz UDTWFHLBIFCLMC-JTQLQIEISA-N 1 0 377.229 2.568 20 0 GFADRO CC(C)Oc1cc(Br)cc(C(=O)N2CCC[C@](O)(C[NH+](C)C)C2)c1 ZINC000683914028 566218348 /nfs/dbraw/zinc/21/83/48/566218348.db2.gz SAXNHGCBAVRHNZ-SFHVURJKSA-N 1 0 399.329 2.765 20 0 GFADRO CC(C)Oc1cc(Br)ccc1C(=O)N1CCC[C@](O)(C[NH+](C)C)C1 ZINC000683914358 566218403 /nfs/dbraw/zinc/21/84/03/566218403.db2.gz VVHRYVOWZLZNAZ-SFHVURJKSA-N 1 0 399.329 2.765 20 0 GFADRO C[NH+](C)C[C@@]1(O)CCCN(C(=O)Cc2csc(-c3ccc(Cl)s3)n2)C1 ZINC000683912784 566218480 /nfs/dbraw/zinc/21/84/80/566218480.db2.gz JKKCDMNALUFCNT-KRWDZBQOSA-N 1 0 399.969 2.983 20 0 GFADRO CC(C)(C[NH+]1CCOCC1)C(=O)N1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000635633659 566221263 /nfs/dbraw/zinc/22/12/63/566221263.db2.gz YUAZOIRIDYPZOF-PHIMTYICSA-N 1 0 376.341 2.544 20 0 GFADRO C[C@@H](CCNS(=O)(=O)c1ccc2c(Br)cn(C)c2c1)[NH+](C)C ZINC000657090366 566221642 /nfs/dbraw/zinc/22/16/42/566221642.db2.gz CKWQDMYAZPJWDP-NSHDSACASA-N 1 0 388.331 2.559 20 0 GFADRO C[C@H]1C[C@@H](NC(=O)N2CCOc3c(Br)cccc3C2)C[N@@H+]1C1CC1 ZINC000684273288 566231697 /nfs/dbraw/zinc/23/16/97/566231697.db2.gz YTQQWDRAGMLQMH-GXTWGEPZSA-N 1 0 394.313 2.978 20 0 GFADRO C[C@@H](C(=O)N1CCC(Oc2cccc(-c3nn[nH]n3)c2)CC1)[NH+]1CCCCCC1 ZINC000735519458 598905374 /nfs/dbraw/zinc/90/53/74/598905374.db2.gz KVJXQTSWZNSTDT-INIZCTEOSA-N 1 0 398.511 2.501 20 0 GFADRO S=C(NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)Nc1ccccc1-c1nn[nH]n1 ZINC000738401468 598927210 /nfs/dbraw/zinc/92/72/10/598927210.db2.gz QGOBBBRYJIXOLA-INIZCTEOSA-N 1 0 393.520 2.818 20 0 GFADRO CCO[C@@H]1C[C@H]([N@H+](C)Cn2c(C)nnc2-c2cccc(-c3nn[nH]n3)c2)C1(C)C ZINC000736612456 598954582 /nfs/dbraw/zinc/95/45/82/598954582.db2.gz PBCNHPQPKCTDPL-DLBZAZTESA-N 1 0 396.499 2.527 20 0 GFADRO CC(C)[C@@H](CNc1c2ccccc2nnc1-c1nn[nH]n1)[NH+]1CCC(C)CC1 ZINC000736276338 598957368 /nfs/dbraw/zinc/95/73/68/598957368.db2.gz OIWXDNIZQVKFRO-QGZVFWFLSA-N 1 0 380.500 2.978 20 0 GFADRO COc1cc(-c2nn[nH]n2)ccc1OCC[N@H+](C)[C@H]1CCc2ccccc2C1 ZINC000737033765 598988902 /nfs/dbraw/zinc/98/89/02/598988902.db2.gz SUAMGUDOFBDSOP-SFHVURJKSA-N 1 0 379.464 2.743 20 0 GFADRO CC(C)OCCC[N@H+](C)[C@@H](C)C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000735896501 598988659 /nfs/dbraw/zinc/98/86/59/598988659.db2.gz RJKAAOWLAMQQJJ-LBPRGKRZSA-N 1 0 380.880 2.594 20 0 GFADRO COc1ccc([C@H]2[C@@H](COC(=O)c3cccc(-c4nn[nH]n4)c3)CC[N@@H+]2C)cc1 ZINC000737073761 599028630 /nfs/dbraw/zinc/02/86/30/599028630.db2.gz BOGLVHWOHIZYMP-MJGOQNOKSA-N 1 0 393.447 2.725 20 0 GFADRO OCC[C@H]([NH2+]Cc1cccc(OCc2cccc(-c3nn[nH]n3)c2)c1)C1CC1 ZINC000738395840 599054589 /nfs/dbraw/zinc/05/45/89/599054589.db2.gz ZYQUTTCIRQBJCY-FQEVSTJZSA-N 1 0 379.464 2.696 20 0 GFADRO C[C@@H]1C[C@@H](c2ccccc2)C[N@@H+]1[C@H]1CCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000736233710 599079019 /nfs/dbraw/zinc/07/90/19/599079019.db2.gz GXLCYXURGZXPGU-ZTNFWEORSA-N 1 0 388.475 2.850 20 0 GFADRO C[N@@H+]1CCC[C@H](CNC(=O)c2cccc(-c3nn[nH]n3)c2)[C@H]1c1cccs1 ZINC000736857539 599085209 /nfs/dbraw/zinc/08/52/09/599085209.db2.gz OOAIJSRSMHKYFT-WBVHZDCISA-N 1 0 382.493 2.741 20 0 GFADRO Cc1cccc([C@H](C)[NH2+][C@@H]2CCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)c1C ZINC000737391326 599100808 /nfs/dbraw/zinc/10/08/08/599100808.db2.gz ZWJCZZYVYWZGHX-HNAYVOBHSA-N 1 0 376.464 2.940 20 0 GFADRO C[C@H](NC(=O)N1CC[NH+](C2CCC(C)CC2)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000736238858 599104500 /nfs/dbraw/zinc/10/45/00/599104500.db2.gz DZZCYHPXZNGURP-WUJZJPHMSA-N 1 0 397.527 2.834 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)c2cccc(Nc3ccc(-c4nn[nH]n4)cc3)c2)CC[N@@H+]1C ZINC000736231713 599105917 /nfs/dbraw/zinc/10/59/17/599105917.db2.gz CIBFTDXXQALNLE-AUUYWEPGSA-N 1 0 391.479 2.823 20 0 GFADRO C[C@@H](C(=O)Nc1ccccc1-c1nn[nH]n1)[N@@H+]1CC[C@H](Cc2ccccc2)C1 ZINC000735559882 599134775 /nfs/dbraw/zinc/13/47/75/599134775.db2.gz ANIIXWUVZDDAHQ-DOTOQJQBSA-N 1 0 376.464 2.758 20 0 GFADRO C[C@@H](C(=O)Nc1cccc(-c2nn[nH]n2)c1)[N@@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC000735560391 599138108 /nfs/dbraw/zinc/13/81/08/599138108.db2.gz RNXJHZARHTYCHT-RDJZCZTQSA-N 1 0 376.464 2.758 20 0 GFADRO C[C@](CO)([NH2+]Cc1ccc(-c2nn[nH]n2)cc1)c1cccc(C(F)(F)F)c1 ZINC000736036485 599176007 /nfs/dbraw/zinc/17/60/07/599176007.db2.gz BGTGICHPOSVBHE-QGZVFWFLSA-N 1 0 377.370 2.883 20 0 GFADRO FC(F)Oc1ccccc1N1CC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000737639287 599213436 /nfs/dbraw/zinc/21/34/36/599213436.db2.gz QIIYQXUURHNTJB-HNNXBMFYSA-N 1 0 386.406 2.837 20 0 GFADRO C[C@@H]1C[N@@H+](CCCNc2ccc(Br)cc2-c2nn[nH]n2)C[C@H](C)O1 ZINC000736284889 599361350 /nfs/dbraw/zinc/36/13/50/599361350.db2.gz HLRDGYIKDIXEQN-TXEJJXNPSA-N 1 0 395.305 2.540 20 0 GFADRO O=C(CC[N@@H+]1CCS[C@@H](c2ccccc2)C1)Nc1cccc(-c2nn[nH]n2)c1 ZINC000737846733 599271840 /nfs/dbraw/zinc/27/18/40/599271840.db2.gz LQRAMGBMBLTDPT-GOSISDBHSA-N 1 0 394.504 2.985 20 0 GFADRO Cc1ccc(-c2nn[nH]n2)cc1NC(=O)N1CC[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC000822217918 599272723 /nfs/dbraw/zinc/27/27/23/599272723.db2.gz RRFLTFWCLVEUOO-SFHVURJKSA-N 1 0 391.479 2.913 20 0 GFADRO CC[C@@H](C)[N@H+](C)CCNC(=O)Nc1ccc(-c2nn[nH]n2)c(C(F)(F)F)c1 ZINC000820876184 599286426 /nfs/dbraw/zinc/28/64/26/599286426.db2.gz MVXZNEZVQQFSPN-SNVBAGLBSA-N 1 0 385.394 2.737 20 0 GFADRO Cc1ccccc1[C@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccccc2-c2nn[nH]n2)C1 ZINC000737423405 598255120 /nfs/dbraw/zinc/25/51/20/598255120.db2.gz PNBFSKPJSMWTBW-CVEARBPZSA-N 1 0 376.464 2.992 20 0 GFADRO O=C(NCc1ccc(-c2nn[nH]n2)cc1F)c1cccc(C[NH+]2CCCC2)c1 ZINC000738100975 598307886 /nfs/dbraw/zinc/30/78/86/598307886.db2.gz BZIXKWUGIDKLSD-UHFFFAOYSA-N 1 0 380.427 2.532 20 0 GFADRO C[NH+]1CCC(Nc2ccccc2NC(=O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736858494 598374077 /nfs/dbraw/zinc/37/40/77/598374077.db2.gz YMRLXOGTPCYDLB-UHFFFAOYSA-N 1 0 377.452 2.625 20 0 GFADRO C[NH+](C)[C@@H]1CCN(C(=O)c2ccc(Oc3cccc(F)c3-c3nn[nH]n3)cc2)C1 ZINC000736756459 598401976 /nfs/dbraw/zinc/40/19/76/598401976.db2.gz ITNHAHNCJRNFHI-CQSZACIVSA-N 1 0 396.426 2.574 20 0 GFADRO O=C(C[N@@H+]1CCCC[C@@H]1Cc1ccccc1)Nc1sccc1-c1nn[nH]n1 ZINC000737879175 598422739 /nfs/dbraw/zinc/42/27/39/598422739.db2.gz SYSCFUACTPVINF-OAHLLOKOSA-N 1 0 382.493 2.964 20 0 GFADRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000736559438 598454897 /nfs/dbraw/zinc/45/48/97/598454897.db2.gz VYVFNAJZLUQCKJ-UHFFFAOYSA-N 1 0 378.480 2.520 20 0 GFADRO O=C(C[N@@H+]1CCC[C@@H](c2ccccc2)CC1)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000737875494 598463708 /nfs/dbraw/zinc/46/37/08/598463708.db2.gz CQPKNZNXSZIUCO-LJQANCHMSA-N 1 0 390.491 2.753 20 0 GFADRO Cn1nc(C[NH2+]CCSCc2ccccc2-c2nn[nH]n2)c2ccccc21 ZINC000737622323 598467062 /nfs/dbraw/zinc/46/70/62/598467062.db2.gz MFBWVYAFUVWFDS-UHFFFAOYSA-N 1 0 379.493 2.776 20 0 GFADRO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)Nc1cc(-c2nn[nH]n2)cn1C(C)(C)C ZINC000736253979 598471169 /nfs/dbraw/zinc/47/11/69/598471169.db2.gz WZRDPGBVIFOMSL-KBPBESRZSA-N 1 0 388.520 2.808 20 0 GFADRO CCCO[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2oc(C)c(C)c2-c2nn[nH]n2)CC1 ZINC000736489117 598507221 /nfs/dbraw/zinc/50/72/21/598507221.db2.gz UZIMMZWCMMJRED-HIFRSBDPSA-N 1 0 390.488 2.685 20 0 GFADRO C[N@@H+]1CCC[C@H]1CNC(=O)Nc1ccc(Oc2cccc(-c3nn[nH]n3)c2)cc1 ZINC000736860367 598565698 /nfs/dbraw/zinc/56/56/98/598565698.db2.gz NZJLEFDELQBBQJ-INIZCTEOSA-N 1 0 393.451 2.875 20 0 GFADRO O=C(Nc1ccc(F)c(-c2nn[nH]n2)c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000738160759 598583993 /nfs/dbraw/zinc/58/39/93/598583993.db2.gz AOKNERDTGOMHMN-UHFFFAOYSA-N 1 0 380.427 2.857 20 0 GFADRO C[C@H]([NH2+]C(C)(C)CNC(=O)Cc1ccc(-c2nn[nH]n2)cc1)c1ccccc1 ZINC000736128482 598589047 /nfs/dbraw/zinc/58/90/47/598589047.db2.gz XMNSDGPQKKTDHP-HNNXBMFYSA-N 1 0 378.480 2.655 20 0 GFADRO Clc1ccc(-c2noc(CC[NH2+]Cc3ccc(-c4nn[nH]n4)cc3)n2)cc1 ZINC000737570640 598597021 /nfs/dbraw/zinc/59/70/21/598597021.db2.gz JJPAVGGGFPGXKO-UHFFFAOYSA-N 1 0 381.827 2.902 20 0 GFADRO C[NH+](C)C1CCN(c2ccc(Nc3ccc(-c4nn[nH]n4)cn3)cc2F)CC1 ZINC000736765038 598613140 /nfs/dbraw/zinc/61/31/40/598613140.db2.gz SWHPMFJOEMGHEN-UHFFFAOYSA-N 1 0 382.447 2.675 20 0 GFADRO c1cc([C@H]2CCC[N@H+]2CCOc2ccc(-c3nn[nH]n3)cc2)cc2c1OCO2 ZINC000738412622 598615104 /nfs/dbraw/zinc/61/51/04/598615104.db2.gz IZTZUFSQKDQEOU-QGZVFWFLSA-N 1 0 379.420 2.811 20 0 GFADRO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)CSc1ccc(-c2nn[nH]n2)cc1 ZINC000736456634 598667479 /nfs/dbraw/zinc/66/74/79/598667479.db2.gz GAEJAUSRTGLDEY-INIZCTEOSA-N 1 0 388.541 2.730 20 0 GFADRO O=C(C=Cc1ccccc1-c1nn[nH]n1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000737803069 598668950 /nfs/dbraw/zinc/66/89/50/598668950.db2.gz ZXQBDFSPUWWAAP-JYBLJSLWSA-N 1 0 394.523 2.995 20 0 GFADRO O=C(Cc1ccc(-c2nn[nH]n2)cc1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000737962118 598669876 /nfs/dbraw/zinc/66/98/76/598669876.db2.gz PANKUENEDCCZKW-GOSISDBHSA-N 1 0 382.512 2.524 20 0 GFADRO C[C@H](c1ccncc1)[NH+]1CCN(c2c(-c3nn[nH]n3)cnc3ccccc32)CC1 ZINC000736202292 598701925 /nfs/dbraw/zinc/70/19/25/598701925.db2.gz IKKQZNGOTUYIOQ-OAHLLOKOSA-N 1 0 386.463 2.693 20 0 GFADRO O[C@@H](COc1ccc(-c2nn[nH]n2)cc1)C[N@@H+]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000738383431 598708440 /nfs/dbraw/zinc/70/84/40/598708440.db2.gz BLUZOEOLWWCVCF-SJLPKXTDSA-N 1 0 399.882 2.749 20 0 GFADRO C[C@H](CNC(=O)N(C)Cc1ccc(-c2nn[nH]n2)cc1)[N@H+](C)Cc1ccccc1 ZINC000736017983 598716372 /nfs/dbraw/zinc/71/63/72/598716372.db2.gz UDDBMOHKUFNJNJ-MRXNPFEDSA-N 1 0 393.495 2.529 20 0 GFADRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N(C)Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000736402939 598716785 /nfs/dbraw/zinc/71/67/85/598716785.db2.gz QPMVBUBATCCRMC-MRXNPFEDSA-N 1 0 399.543 2.909 20 0 GFADRO C[N@@H+]1CCC[C@@H]1[C@H]1CCCN1C(=S)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000736860187 598752069 /nfs/dbraw/zinc/75/20/69/598752069.db2.gz MFCJAOGMCGALCY-HUUCEWRRSA-N 1 0 391.932 2.776 20 0 GFADRO CC(=O)N(C)C1CC[NH+](Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)CC1 ZINC000735457731 598760116 /nfs/dbraw/zinc/76/01/16/598760116.db2.gz DEVKFZSXTKKPEF-UHFFFAOYSA-N 1 0 390.491 2.976 20 0 GFADRO CC(C)Oc1ccc(-c2nn[nH]n2)cc1NC(=O)N1CCC[C@H]1[C@H]1CCC[N@@H+]1C ZINC000735905532 598760811 /nfs/dbraw/zinc/76/08/11/598760811.db2.gz KFJRUWUBPQBWCU-SJORKVTESA-N 1 0 399.499 2.744 20 0 GFADRO CC(C)[N@H+](CCOc1ccccc1-c1nn[nH]n1)CC(=O)Nc1ccc(F)cc1 ZINC000735860625 598766305 /nfs/dbraw/zinc/76/63/05/598766305.db2.gz JULOOFZMNCMENE-UHFFFAOYSA-N 1 0 398.442 2.734 20 0 GFADRO Cc1cc(N2CCC[C@H](C[NH+](C)C)C2)n2c3ccccc3nc2c1-c1nn[nH]n1 ZINC000737272625 598787939 /nfs/dbraw/zinc/78/79/39/598787939.db2.gz UQCLPBKPAQLCPP-OAHLLOKOSA-N 1 0 390.495 2.754 20 0 GFADRO C[C@@H]1CN(C(=O)c2ccccc2-c2ccccc2-c2nn[nH]n2)C[C@@H]1[NH+](C)C ZINC000736293326 599296115 /nfs/dbraw/zinc/29/61/15/599296115.db2.gz TVHDENVHJSTWAV-KUHUBIRLSA-N 1 0 376.464 2.556 20 0 GFADRO C[C@H](c1ccc(-c2nn[nH]n2)cc1)[N@@H+]1CCCN(C(=O)c2ccsc2)CC1 ZINC000736199260 599311641 /nfs/dbraw/zinc/31/16/41/599311641.db2.gz WVEYVQUASOMCIN-CQSZACIVSA-N 1 0 382.493 2.837 20 0 GFADRO FC(F)(F)c1cc([C@@H]2CCC[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C2)[nH]n1 ZINC000737634022 599316018 /nfs/dbraw/zinc/31/60/18/599316018.db2.gz XOANNDPSRCCMGN-CYBMUJFWSA-N 1 0 377.374 2.988 20 0 GFADRO CN(C)c1cccc([C@@H]2CCC[N@@H+]2CC(=O)Nc2cccc(-c3nn[nH]n3)c2)c1 ZINC000736778209 599357821 /nfs/dbraw/zinc/35/78/21/599357821.db2.gz DGBKPRTZQINMGX-IBGZPJMESA-N 1 0 391.479 2.708 20 0 GFADRO Cc1ccccc1CN(C)C(=O)[C@H](C)[NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1 ZINC000822355985 599389306 /nfs/dbraw/zinc/38/93/06/599389306.db2.gz FLLYRAUKLIGPOK-HOTGVXAUSA-N 1 0 378.480 2.873 20 0 GFADRO COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)[NH2+][C@@H](C)c2cccc(-c3nn[nH]n3)c2)c1C ZINC000821667202 599391624 /nfs/dbraw/zinc/39/16/24/599391624.db2.gz ZMABXRQLBJKULK-WCQYABFASA-N 1 0 396.451 2.520 20 0 GFADRO C[C@@H]([NH2+][C@@H](C)C(=O)NCc1ccc(Cl)cc1)c1cccc(-c2nn[nH]n2)c1 ZINC000820414305 599392004 /nfs/dbraw/zinc/39/20/04/599392004.db2.gz XQKUMJOIWHFVLD-OLZOCXBDSA-N 1 0 384.871 2.876 20 0 GFADRO COc1ccc(C[NH2+]Cc2ccc(OC)c(-c3nn[nH]n3)c2)cc1OC(F)F ZINC000821818646 599401325 /nfs/dbraw/zinc/40/13/25/599401325.db2.gz WIXWEWDFAKZCIQ-UHFFFAOYSA-N 1 0 391.378 2.775 20 0 GFADRO COc1ccc(C[NH2+]Cc2ccc(OC[C@H]3CCCO3)cc2)cc1-c1nn[nH]n1 ZINC000821818683 599404449 /nfs/dbraw/zinc/40/44/49/599404449.db2.gz XZGDZIWDXLSIQN-GOSISDBHSA-N 1 0 395.463 2.723 20 0 GFADRO Fc1ccc(-c2nn[nH]n2)cc1C[NH2+]Cc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000822761256 599455384 /nfs/dbraw/zinc/45/53/84/599455384.db2.gz FABIESQIJSSFER-SFHVURJKSA-N 1 0 383.427 2.853 20 0 GFADRO CC(C)[C@@H](C[NH2+]Cc1cnc2ccc(-c3nn[nH]n3)cn12)Nc1ccccc1 ZINC000735706849 599490125 /nfs/dbraw/zinc/49/01/25/599490125.db2.gz DXNOORJGMAWHNU-GOSISDBHSA-N 1 0 376.468 2.741 20 0 GFADRO Cc1ccc(NC(=O)N2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)s1 ZINC000822248881 599551363 /nfs/dbraw/zinc/55/13/63/599551363.db2.gz RPEOWXAZRORABI-UHFFFAOYSA-N 1 0 397.508 2.976 20 0 GFADRO c1ccc(C[N@H+]2CCC[C@H]2CNc2c(-c3nn[nH]n3)cnc3ccccc32)cc1 ZINC000823779418 599558291 /nfs/dbraw/zinc/55/82/91/599558291.db2.gz DADHSDIBZZGBJQ-KRWDZBQOSA-N 1 0 385.475 2.913 20 0 GFADRO CC[N@H+](CCNC(=O)c1cccc(Nc2ccc(-c3nn[nH]n3)cc2)c1)C1CC1 ZINC000736536233 599566974 /nfs/dbraw/zinc/56/69/74/599566974.db2.gz GBIOGNBKWSTPGX-UHFFFAOYSA-N 1 0 391.479 2.824 20 0 GFADRO c1ccc(COC[C@@H]2CC[N@@H+](CCOc3cccc(-c4nn[nH]n4)c3)C2)cc1 ZINC000823787311 599583970 /nfs/dbraw/zinc/58/39/70/599583970.db2.gz LEQXYWGWLWJNOT-GOSISDBHSA-N 1 0 379.464 2.784 20 0 GFADRO C[C@H]1c2ccc(F)cc2CC[N@H+]1CCC(=O)Nc1ccccc1-c1nn[nH]n1 ZINC000736304091 599590929 /nfs/dbraw/zinc/59/09/29/599590929.db2.gz NXTZTTAXKRDJNQ-ZDUSSCGKSA-N 1 0 380.427 2.954 20 0 GFADRO O[C@@H](C[C@H]1CCC[N@@H+]1CCOc1ccccc1-c1nn[nH]n1)c1ccccc1 ZINC000823673309 599593517 /nfs/dbraw/zinc/59/35/17/599593517.db2.gz KOBSHTICISPTDY-MJGOQNOKSA-N 1 0 379.464 2.834 20 0 GFADRO O=C(CC[N@H+](C[C@H]1CCCO1)C1CCCC1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000822964587 599640556 /nfs/dbraw/zinc/64/05/56/599640556.db2.gz KWHBDPPAQHXRIL-GOSISDBHSA-N 1 0 384.484 2.619 20 0 GFADRO O=C1[C@H]([NH+]2CCC(C3CCCC3)CC2)CCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000823504471 599643202 /nfs/dbraw/zinc/64/32/02/599643202.db2.gz QNWSTWFXCQFMKU-LJQANCHMSA-N 1 0 380.496 2.874 20 0 GFADRO COc1ccc(C[NH2+][C@H](C)[C@H](O)c2c(F)cccc2Cl)cc1-c1nn[nH]n1 ZINC000821798871 599646786 /nfs/dbraw/zinc/64/67/86/599646786.db2.gz RACUEQDFSNPJPJ-QGHHPUGFSA-N 1 0 391.834 2.880 20 0 GFADRO C[C@@H]([NH2+]C1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1)c1ccc(F)c(F)c1 ZINC000820413255 599693929 /nfs/dbraw/zinc/69/39/29/599693929.db2.gz PKUHUKQQXFEHKD-GFCCVEGCSA-N 1 0 385.422 2.860 20 0 GFADRO CC(C)Oc1ccc(NC(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1-c1nn[nH]n1 ZINC000820166320 607434414 /nfs/dbraw/zinc/43/44/14/607434414.db2.gz VTRIJWGOABLALS-HIFRSBDPSA-N 1 0 387.488 2.600 20 0 GFADRO Cc1c[nH+]ccc1N1CCC(C(=O)OCc2ccc(-c3nn[nH]n3)cc2C)CC1 ZINC000826253117 607444928 /nfs/dbraw/zinc/44/49/28/607444928.db2.gz FWSDPMAOHAZXQF-UHFFFAOYSA-N 1 0 392.463 2.838 20 0 GFADRO O=C([O-])[C@@H]([NH2+]CC1CC[NH+](C[C@H](O)c2ccccc2)CC1)c1ccccc1F ZINC000833167616 600749729 /nfs/dbraw/zinc/74/97/29/600749729.db2.gz ORWNERHIVLSUFC-SFTDATJTSA-N 1 0 386.467 2.987 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@@H+]1Cc1cc(-c2nn[nH]n2)ccc1F ZINC000824893934 607474753 /nfs/dbraw/zinc/47/47/53/607474753.db2.gz VVPOOPOANQPXGW-DOMZBBRYSA-N 1 0 390.463 2.883 20 0 GFADRO COc1ccc(-c2nn[nH]n2)cc1CN1CC[NH+](Cc2ccccc2C)CC1 ZINC000821732606 607480557 /nfs/dbraw/zinc/48/05/57/607480557.db2.gz QWTJFSVVZBNVCT-UHFFFAOYSA-N 1 0 378.480 2.502 20 0 GFADRO O=C(C[C@H]1CCC[N@H+]1C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1)c1ccc(F)cc1 ZINC000826404996 607478235 /nfs/dbraw/zinc/47/82/35/607478235.db2.gz SBUPNTHECTXCFR-UYAOXDASSA-N 1 0 395.438 2.777 20 0 GFADRO C[NH+](C)CC1CCC(NC(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)CC1 ZINC000825860608 607558471 /nfs/dbraw/zinc/55/84/71/607558471.db2.gz UAFLBTTZJWHNLX-UHFFFAOYSA-N 1 0 377.880 2.762 20 0 GFADRO CC(C)[C@H]([NH2+]CCS(=O)(=O)c1cccc(-c2nn[nH]n2)c1)c1ccccc1 ZINC000824201057 607814163 /nfs/dbraw/zinc/81/41/63/607814163.db2.gz XIRCHNFGPKHTER-SFHVURJKSA-N 1 0 385.493 2.627 20 0 GFADRO C[C@H]([NH2+]CC1CCN(C(=O)[O-])CC1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000825491252 604106598 /nfs/dbraw/zinc/10/65/98/604106598.db2.gz YOZNXGSZDBBSMF-HNNXBMFYSA-N 1 0 378.492 2.618 20 0 GFADRO O=C([O-])N1CCC([NH2+]CCCOC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000831959078 604201867 /nfs/dbraw/zinc/20/18/67/604201867.db2.gz ZCYWYORIPYYQQO-UHFFFAOYSA-N 1 0 375.513 2.790 20 0 GFADRO Cc1cc(-c2nn[nH]n2)ccc1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000826248034 607702258 /nfs/dbraw/zinc/70/22/58/607702258.db2.gz UNMDNEYCYLXINS-OXQOHEQNSA-N 1 0 390.491 2.816 20 0 GFADRO CCc1nnc(N2CCC(CCC[NH+]3CCCC3)CC2)c(-c2nn[nH]n2)c1CC ZINC000825767323 607734173 /nfs/dbraw/zinc/73/41/73/607734173.db2.gz KDDGRGXMYCNPPH-UHFFFAOYSA-N 1 0 398.559 2.874 20 0 GFADRO O=C([O-])CCC[NH+]1CCC([NH2+][C@@H]2CCCN(Cc3c(F)cccc3F)C2)CC1 ZINC000833774213 605223806 /nfs/dbraw/zinc/22/38/06/605223806.db2.gz ZWQOYJNTSMVDJV-QGZVFWFLSA-N 1 0 395.494 2.848 20 0 GFADRO CC1CC[NH+](C2CCC(NC(=O)CCc3ccc(-c4nn[nH]n4)cc3)CC2)CC1 ZINC000824957291 607771042 /nfs/dbraw/zinc/77/10/42/607771042.db2.gz XAVWMRZVWMZXEM-UHFFFAOYSA-N 1 0 396.539 2.959 20 0 GFADRO C[C@H](c1ccccn1)[NH+]1CCC(C(=O)Nc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000820571439 606110095 /nfs/dbraw/zinc/11/00/95/606110095.db2.gz YMLLLOOHUZZFIH-CQSZACIVSA-N 1 0 377.452 2.673 20 0 GFADRO Cn1cccc1[C@H]1CCCC[N@@H+]1CCC(=O)Nc1ccccc1-c1nn[nH]n1 ZINC000822693335 606113737 /nfs/dbraw/zinc/11/37/37/606113737.db2.gz BASPIXZCGCCXGC-GOSISDBHSA-N 1 0 379.468 2.761 20 0 GFADRO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000820995568 606132393 /nfs/dbraw/zinc/13/23/93/606132393.db2.gz UIHPLQNQTOPDQV-STQMWFEESA-N 1 0 375.864 2.611 20 0 GFADRO O=C(CC[N@@H+]1CCSC2(CCCCC2)C1)Nc1ccccc1-c1nn[nH]n1 ZINC000822968828 606186543 /nfs/dbraw/zinc/18/65/43/606186543.db2.gz BAEOFIOAOGMBOW-UHFFFAOYSA-N 1 0 386.525 2.947 20 0 GFADRO CC(C)CC[NH+]1CCC(CNC(=O)C=Cc2ccccc2-c2nn[nH]n2)CC1 ZINC000820076181 606189180 /nfs/dbraw/zinc/18/91/80/606189180.db2.gz FLAHBRXGUZFJMF-BQYQJAHWSA-N 1 0 382.512 2.754 20 0 GFADRO Cc1nnc(N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c(-c2nn[nH]n2)c1C ZINC000822516413 606200775 /nfs/dbraw/zinc/20/07/75/606200775.db2.gz YZNLZHYNIGBQMN-CXAGYDPISA-N 1 0 378.484 2.739 20 0 GFADRO CC(C)(C)OC(=O)NCC1([NH2+]Cc2cc(-c3nn[nH]n3)cs2)CCCC1 ZINC000819940143 606217739 /nfs/dbraw/zinc/21/77/39/606217739.db2.gz PYQXKUUFXXVZIE-UHFFFAOYSA-N 1 0 378.502 2.855 20 0 GFADRO CC(C)(C)OC(=O)NC1CCC([NH2+]Cc2cc(-c3nn[nH]n3)cs2)CC1 ZINC000819940153 606221364 /nfs/dbraw/zinc/22/13/64/606221364.db2.gz QHCGFQKZJHYOHZ-UHFFFAOYSA-N 1 0 378.502 2.854 20 0 GFADRO C[C@H]([NH2+]C1(CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)CCCC1)c1ccccc1 ZINC000820413180 606272063 /nfs/dbraw/zinc/27/20/63/606272063.db2.gz OWYGNIHMFGKWTR-AWEZNQCLSA-N 1 0 379.468 2.588 20 0 GFADRO CC[C@H]([NH2+]CCS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)c1ccc(C)cc1 ZINC000820927026 606307611 /nfs/dbraw/zinc/30/76/11/606307611.db2.gz YVHYUGVOJRNPIF-SFHVURJKSA-N 1 0 385.493 2.690 20 0 GFADRO O=S(=O)(CC[NH2+][C@@H]1CC[C@@H]2CCCC[C@H]2C1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823561131 606308332 /nfs/dbraw/zinc/30/83/32/606308332.db2.gz AEDLIEKYSDTRJU-BHYGNILZSA-N 1 0 389.525 2.589 20 0 GFADRO C[C@@H]1[C@@H](c2ccccc2)CC[N@@H+]1[C@H]1CCN(c2sccc2-c2nn[nH]n2)C1=O ZINC000820641610 606337452 /nfs/dbraw/zinc/33/74/52/606337452.db2.gz DMRDUBTUEBSLGD-KMFMINBZSA-N 1 0 394.504 2.912 20 0 GFADRO Cc1ccc(C[NH+](C)C)cc1NC(=O)[C@@H](C)Oc1ccccc1-c1nn[nH]n1 ZINC000822237467 606368208 /nfs/dbraw/zinc/36/82/08/606368208.db2.gz VDEFHRPILARRKJ-CQSZACIVSA-N 1 0 380.452 2.643 20 0 GFADRO Cc1ccc(-c2nn[nH]n2)cc1NC(=O)C1CCN(c2cc[nH+]cc2C)CC1 ZINC000822216034 606414505 /nfs/dbraw/zinc/41/45/05/606414505.db2.gz CLHZGFFLXWRCAR-UHFFFAOYSA-N 1 0 377.452 2.734 20 0 GFADRO CC(C)(C)OC(=O)NC1CCC([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CC1 ZINC000819940370 606421168 /nfs/dbraw/zinc/42/11/68/606421168.db2.gz YYGMFLGHKCVQIQ-UHFFFAOYSA-N 1 0 378.502 2.854 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)C[C@H]1C ZINC000821254883 606428396 /nfs/dbraw/zinc/42/83/96/606428396.db2.gz PKUMLBQHXLTKPM-DGCLKSJQSA-N 1 0 377.880 2.857 20 0 GFADRO CCOc1ccc(-c2nn[nH]n2)cc1NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000821401624 606532805 /nfs/dbraw/zinc/53/28/05/606532805.db2.gz YFKSDNGGUNNGAA-HNNXBMFYSA-N 1 0 384.484 2.859 20 0 GFADRO CC[NH+](CC)CCN(Cc1ccccc1)C(=O)Cc1cccc(-c2nn[nH]n2)c1 ZINC000821189918 606537962 /nfs/dbraw/zinc/53/79/62/606537962.db2.gz VYNANDMZMGSUHW-UHFFFAOYSA-N 1 0 392.507 2.780 20 0 GFADRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)c2ccc(-c3nn[nH]n3)s2)CC1 ZINC000821621663 606554203 /nfs/dbraw/zinc/55/42/03/606554203.db2.gz AXABKJHYUWNKGJ-UHFFFAOYSA-N 1 0 382.493 2.665 20 0 GFADRO CN(C(=O)OC(C)(C)C)[C@@H]1CC[N@H+](Cc2cn3ccccc3c2-c2nn[nH]n2)C1 ZINC000821571697 606616313 /nfs/dbraw/zinc/61/63/13/606616313.db2.gz AYWJSMMQHJZJIK-OAHLLOKOSA-N 1 0 397.483 2.561 20 0 GFADRO O=C(NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000823176709 606680408 /nfs/dbraw/zinc/68/04/08/606680408.db2.gz XCSIXQVPMACSAV-HNNXBMFYSA-N 1 0 398.417 2.539 20 0 GFADRO C[C@H](C(=O)Nc1cccc(-c2nn[nH]n2)c1)[N@@H+]1CC[C@@](C)(c2ccccc2)C1 ZINC000819866563 606717049 /nfs/dbraw/zinc/71/70/49/606717049.db2.gz NYZBIFCAJIFDRD-QVKFZJNVSA-N 1 0 376.464 2.857 20 0 GFADRO CC(C)[C@H](C(=O)NCc1cccc(-c2ccc(-c3nn[nH]n3)s2)c1)[NH+](C)C ZINC000735690269 606737421 /nfs/dbraw/zinc/73/74/21/606737421.db2.gz IJKOKHIXZWZIQJ-QGZVFWFLSA-N 1 0 384.509 2.798 20 0 GFADRO COc1ccc(C[NH2+]CCOc2ncc(Cl)cc2Cl)cc1-c1nn[nH]n1 ZINC000821813931 606796684 /nfs/dbraw/zinc/79/66/84/606796684.db2.gz PMDFKOFSDVCMTQ-UHFFFAOYSA-N 1 0 395.250 2.746 20 0 GFADRO CC[C@@H]1CCC[C@@H]1NC(=O)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000820972892 606811583 /nfs/dbraw/zinc/81/15/83/606811583.db2.gz RNDNZPFHIBFDOU-MJGOQNOKSA-N 1 0 397.527 2.663 20 0 GFADRO CC(C)[N@H+]1C[C@H](NC(=O)c2ccccc2-c2ccccc2-c2nn[nH]n2)[C@@H](C)C1 ZINC000820753184 606818394 /nfs/dbraw/zinc/81/83/94/606818394.db2.gz XHAJQHIKUXXLFR-YWZLYKJASA-N 1 0 390.491 2.992 20 0 GFADRO O[C@@H](C[NH2+]CCc1ccc(C(F)(F)F)cc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823682155 606844993 /nfs/dbraw/zinc/84/49/93/606844993.db2.gz NDKDUOAVSSELFE-INIZCTEOSA-N 1 0 377.370 2.751 20 0 GFADRO O[C@@H](C[NH2+]Cc1nc2cc(Cl)ccc2s1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823690823 606858456 /nfs/dbraw/zinc/85/84/56/606858456.db2.gz VOBXYQJZIGWAOD-AWEZNQCLSA-N 1 0 386.868 2.953 20 0 GFADRO O[C@H](C[NH2+]C[C@H]1CCCO[C@H]1c1ccccc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823681637 606858830 /nfs/dbraw/zinc/85/88/30/606858830.db2.gz HWUJVCQQYPBKGR-AQNXPRMDSA-N 1 0 379.464 2.658 20 0 GFADRO C[NH+](C)CCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)NCC1(C)CCCCC1 ZINC000821586109 606872721 /nfs/dbraw/zinc/87/27/21/606872721.db2.gz JYSRYLFWKIGJOA-UHFFFAOYSA-N 1 0 399.543 2.910 20 0 GFADRO C[C@@H]1C[C@H](Nc2nc3c(cc2-c2nn[nH]n2)CCC3)C[N@@H+]1Cc1ccccc1 ZINC000820668757 606875663 /nfs/dbraw/zinc/87/56/63/606875663.db2.gz VZOUYVZBFCKVKX-PBHICJAKSA-N 1 0 375.480 2.825 20 0 GFADRO C[C@@H]1C[C@H](Nc2c3ccccc3nnc2-c2nn[nH]n2)C[N@@H+]1Cc1ccccc1 ZINC000820664504 606876721 /nfs/dbraw/zinc/87/67/21/606876721.db2.gz AWVFKLDHJFCHJI-ZBFHGGJFSA-N 1 0 386.463 2.885 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)Nc2ccc(F)cc2-c2nn[nH]n2)C[N@@H+]1Cc1ccccc1 ZINC000820656594 606907601 /nfs/dbraw/zinc/90/76/01/606907601.db2.gz GRZYQPFUNHISDM-CZUORRHYSA-N 1 0 395.442 2.790 20 0 GFADRO CC[C@@H]1CN(C)c2ccccc2C[N@@H+]1C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000820995548 606910801 /nfs/dbraw/zinc/91/08/01/606910801.db2.gz TZZSPVHQYGFKEG-UYAOXDASSA-N 1 0 378.480 2.631 20 0 GFADRO O[C@H](C[C@H]1CCCCC[N@@H+]1C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1)c1ccco1 ZINC000823681778 606911897 /nfs/dbraw/zinc/91/18/97/606911897.db2.gz KOJQPIGUWHLDSX-GUDVDZBRSA-N 1 0 397.479 2.861 20 0 GFADRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(CCCOc2cccc(-c3nn[nH]n3)c2)C1 ZINC000820686768 606924306 /nfs/dbraw/zinc/92/43/06/606924306.db2.gz ZWPDKKZWGWBVDG-SCTDSRPQSA-N 1 0 384.528 2.973 20 0 GFADRO COCC[N@H+](CCOc1ccc(F)cc1)Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC000821689910 606972638 /nfs/dbraw/zinc/97/26/38/606972638.db2.gz RIVRMNNAFHGOGF-UHFFFAOYSA-N 1 0 389.406 2.672 20 0 GFADRO COC[C@H](Cc1ccccc1)[NH2+]CCSCc1ccccc1-c1nn[nH]n1 ZINC000821682364 607019364 /nfs/dbraw/zinc/01/93/64/607019364.db2.gz CTVLRHZTRRJXAX-SFHVURJKSA-N 1 0 383.521 2.947 20 0 GFADRO Cc1cc(C)c2ncc(-c3nn[nH]n3)c(N3CC[C@@H]4[C@@H](CCC[N@H+]4C)C3)c2c1 ZINC000822195644 607030675 /nfs/dbraw/zinc/03/06/75/607030675.db2.gz ZDKOPALDKYNNPH-MAUKXSAKSA-N 1 0 377.496 2.952 20 0 GFADRO C[NH+](C)CCN(Cc1cccc(F)c1)c1ncc(-c2nn[nH]n2)cc1Cl ZINC000821586039 607114228 /nfs/dbraw/zinc/11/42/28/607114228.db2.gz GOQWBBXTXVIHPU-UHFFFAOYSA-N 1 0 375.839 2.622 20 0 GFADRO CC1(c2ccccc2)CCC([NH2+][C@@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000820634399 607129369 /nfs/dbraw/zinc/12/93/69/607129369.db2.gz HSPZSWOQVFPRCK-GSVIPDFHSA-N 1 0 390.491 2.883 20 0 GFADRO COC(=O)CCC[N@H+](Cc1ccccc1)Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC000821660625 607176193 /nfs/dbraw/zinc/17/61/93/607176193.db2.gz XVYWFNWNRLIILF-UHFFFAOYSA-N 1 0 383.427 2.961 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccc(-c3nn[nH]n3)cc2Cl)[C@@H](C)C1 ZINC000821254176 607197160 /nfs/dbraw/zinc/19/71/60/607197160.db2.gz KAHOPMONTDNNPD-NHYWBVRUSA-N 1 0 377.880 2.714 20 0 GFADRO O=C(Nc1ccc(-c2nn[nH]n2)cc1Cl)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000823313419 607203155 /nfs/dbraw/zinc/20/31/55/607203155.db2.gz ACHYBQCOUJDPKB-ZDUSSCGKSA-N 1 0 375.864 2.612 20 0 GFADRO C[NH+](C)CCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)N[C@H]1CC2CCC1CC2 ZINC000821586090 607214206 /nfs/dbraw/zinc/21/42/06/607214206.db2.gz JIBIKWVJTDQWKR-KVWWFHCMSA-N 1 0 397.527 2.519 20 0 GFADRO CC(C)[C@@H](CNc1cc(-c2nn[nH]n2)ccc1C(F)(F)F)[NH+]1CCOCC1 ZINC000820021563 607227001 /nfs/dbraw/zinc/22/70/01/607227001.db2.gz WEXZHZJXJKUWES-OAHLLOKOSA-N 1 0 384.406 2.654 20 0 GFADRO OC[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)Cc1ccccc1C(F)(F)F ZINC000823705859 607230225 /nfs/dbraw/zinc/23/02/25/607230225.db2.gz IDZJWSIEDWIWSO-NSHDSACASA-N 1 0 397.426 2.888 20 0 GFADRO OC[C@H](C[NH2+]Cc1cc(-c2nn[nH]n2)cs1)Cc1ccc(C(F)(F)F)cc1 ZINC000823707296 607230246 /nfs/dbraw/zinc/23/02/46/607230246.db2.gz YYIYZAUSBOMYMV-LBPRGKRZSA-N 1 0 397.426 2.888 20 0 GFADRO c1c(C[N@@H+]2CCO[C@]3(CCc4ccccc43)C2)c(-c2nn[nH]n2)c2ccccn12 ZINC000826523315 607803043 /nfs/dbraw/zinc/80/30/43/607803043.db2.gz IPDQMMFAQAUXFK-JOCHJYFZSA-N 1 0 386.459 2.793 20 0 GFADRO Cc1nnc(NCC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)c(-c2nn[nH]n2)c1C ZINC000826336059 607810675 /nfs/dbraw/zinc/81/06/75/607810675.db2.gz LMRHUFJZDMHSSO-RDTXWAMCSA-N 1 0 392.511 2.986 20 0 GFADRO O=C(CC[NH+]1CCC(c2ccccn2)CC1)Nc1sccc1-c1nn[nH]n1 ZINC000826407655 607816396 /nfs/dbraw/zinc/81/63/96/607816396.db2.gz VZTNONJVJZFVPF-UHFFFAOYSA-N 1 0 383.481 2.531 20 0 GFADRO C[N@H+](Cc1ccccc1)CC(C)(C)NC(=O)C=Cc1ccccc1-c1nn[nH]n1 ZINC000825980493 607825013 /nfs/dbraw/zinc/82/50/13/607825013.db2.gz BKQXLVKEUFCAFI-YPKPFQOOSA-N 1 0 390.491 2.907 20 0 GFADRO OC[C@@H](CC1CC1)[NH2+]Cc1cccc(OCc2ccccc2-c2nn[nH]n2)c1 ZINC000826506747 607854000 /nfs/dbraw/zinc/85/40/00/607854000.db2.gz BAAKMNBMAKLZRY-GOSISDBHSA-N 1 0 379.464 2.696 20 0 GFADRO CC[C@H]([NH2+]Cc1ccc(-c2nn[nH]n2)cc1)[C@@H](c1ccc(C)cc1)n1cncn1 ZINC000825142588 607911323 /nfs/dbraw/zinc/91/13/23/607911323.db2.gz SPWFLFAQZMVNHA-VQTJNVASSA-N 1 0 388.479 2.924 20 0 GFADRO CCOc1ccc(C[N@H+](C)Cc2cccc(C(=O)OC)c2-c2nn[nH]n2)cc1 ZINC000825639658 607920800 /nfs/dbraw/zinc/92/08/00/607920800.db2.gz ZYFIXTXKYXDTMS-UHFFFAOYSA-N 1 0 381.436 2.684 20 0 GFADRO C[NH2+]CCCc1[nH]nc(NC(=O)C[C@@H]2C[C@@H](C)CC(C)(C)C2)c1-c1nn[nH]n1 ZINC000826077850 608020501 /nfs/dbraw/zinc/02/05/01/608020501.db2.gz XQVZJHNKCDXWNR-OLZOCXBDSA-N 1 0 388.520 2.533 20 0 GFADRO COc1cc(C[N@H+](CCOc2ccccc2-c2nn[nH]n2)C2CC2)ccc1O ZINC000826179549 608040103 /nfs/dbraw/zinc/04/01/03/608040103.db2.gz SWGHGIGGJSIRCA-UHFFFAOYSA-N 1 0 381.436 2.624 20 0 GFADRO COc1ccc([C@@](C)(O)[C@H]2CCC[N@@H+]2Cc2ccccc2-c2nn[nH]n2)cc1 ZINC000826188132 608064538 /nfs/dbraw/zinc/06/45/38/608064538.db2.gz OGVXEQHSQWDGSS-TZIWHRDSSA-N 1 0 379.464 2.747 20 0 GFADRO COc1ccc(C[C@@H](C)C[N@H+](C)C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000826191223 608065643 /nfs/dbraw/zinc/06/56/43/608065643.db2.gz AAPVTRCSIRKFOL-QRWLVFNGSA-N 1 0 381.480 2.719 20 0 GFADRO Cc1cccc([C@H]2CC[N@@H+]([C@H](C)C(=O)Nc3ccccc3-c3nn[nH]n3)C2)c1 ZINC000826297611 608127887 /nfs/dbraw/zinc/12/78/87/608127887.db2.gz MRKQPIJVYKGQRA-WBVHZDCISA-N 1 0 376.464 2.992 20 0 GFADRO Fc1cccc(O[C@@H]2CC[N@H+](CCCOc3cccc(-c4nn[nH]n4)c3)C2)c1 ZINC000826377427 608128651 /nfs/dbraw/zinc/12/86/51/608128651.db2.gz ROBWDFLQUFYICI-LJQANCHMSA-N 1 0 383.427 2.928 20 0 GFADRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000825919158 608163327 /nfs/dbraw/zinc/16/33/27/608163327.db2.gz WEQQJEGXNHEVJW-UHFFFAOYSA-N 1 0 391.479 2.640 20 0 GFADRO CCOC(=O)C(F)(F)[C@H]1CCC[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC000825492083 608208373 /nfs/dbraw/zinc/20/83/73/608208373.db2.gz CYJIPVPWACKTLF-LSDHHAIUSA-N 1 0 379.411 2.714 20 0 GFADRO C[C@H]([NH2+][C@@H]1CC(=O)N(Cc2ccccc2)[C@H]1C)c1ccc(-c2nn[nH]n2)cc1 ZINC000824540534 608279819 /nfs/dbraw/zinc/27/98/19/608279819.db2.gz ZSVRWYKUGBHIPS-YZVOILCLSA-N 1 0 376.464 2.707 20 0 GFADRO COCCc1nc(C)c([C@@H](C)[NH2+]Cc2ccc(OC)c(-c3nn[nH]n3)c2)s1 ZINC000826163014 608288241 /nfs/dbraw/zinc/28/82/41/608288241.db2.gz CFDUMHYJBMYOFD-LLVKDONJSA-N 1 0 388.497 2.680 20 0 GFADRO CC(=O)N1CCC([NH2+]Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)CC1 ZINC000823975294 608309824 /nfs/dbraw/zinc/30/98/24/608309824.db2.gz WIYSAAKYJYGCEI-UHFFFAOYSA-N 1 0 376.464 2.634 20 0 GFADRO COc1cc(-c2nn[nH]n2)ccc1C[N@H+](CCO)[C@@H]1CCCc2ccccc21 ZINC000826168793 608372365 /nfs/dbraw/zinc/37/23/65/608372365.db2.gz YQJKPZSCWLKZIS-LJQANCHMSA-N 1 0 379.464 2.747 20 0 GFADRO COc1ccc(-c2nn[nH]n2)cc1C[N@@H+]1CC[C@@](O)(Cc2cccc(Cl)c2)C1 ZINC000826182406 608381093 /nfs/dbraw/zinc/38/10/93/608381093.db2.gz JATCOJRCBSLCDF-HXUWFJFHSA-N 1 0 399.882 2.708 20 0 GFADRO CS[C@H]1CN(c2c(-c3nn[nH]n3)cnc3ccc(Cl)cc32)C[C@@H]1[NH+](C)C ZINC000826227669 608382750 /nfs/dbraw/zinc/38/27/50/608382750.db2.gz VHWRMTPSUKSPRS-GJZGRUSLSA-N 1 0 389.916 2.550 20 0 GFADRO O=C(CC1CC[NH+](Cc2cccc(-c3nn[nH]n3)c2F)CC1)NC1CCCC1 ZINC000826404423 608389713 /nfs/dbraw/zinc/38/97/13/608389713.db2.gz ACURHEBOCALDFX-UHFFFAOYSA-N 1 0 386.475 2.667 20 0 GFADRO CC[N@@H+]1CCCC[C@H]1CNC(=O)N1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000825459498 608408194 /nfs/dbraw/zinc/40/81/94/608408194.db2.gz LXXMLDLKSVXPDP-IBGZPJMESA-N 1 0 395.511 2.540 20 0 GFADRO COc1ccc([C@@H](C)[NH2+]CCOc2ccc(-c3nn[nH]n3)cc2OC)cc1F ZINC000826188515 608428315 /nfs/dbraw/zinc/42/83/15/608428315.db2.gz ZDPGUZFJEDWYKH-GFCCVEGCSA-N 1 0 387.415 2.753 20 0 GFADRO COc1ccc(C)cc1[C@H](C)[NH2+]CCOc1ccc(-c2nn[nH]n2)cc1OC ZINC000826176089 608429331 /nfs/dbraw/zinc/42/93/31/608429331.db2.gz AFYHNLSHXSVUQC-AWEZNQCLSA-N 1 0 383.452 2.922 20 0 GFADRO C[NH+](C)C1CCN(c2ccc(NC(=O)c3cccc(-c4nn[nH]n4)c3)cc2)CC1 ZINC000825856060 608430644 /nfs/dbraw/zinc/43/06/44/608430644.db2.gz MMPBWCSMGODTSI-UHFFFAOYSA-N 1 0 391.479 2.649 20 0 GFADRO CC[C@@H]([NH2+][C@H](C)C(=O)Nc1ccccc1-c1nn[nH]n1)c1ccccc1OC ZINC000825139085 608456115 /nfs/dbraw/zinc/45/61/15/608456115.db2.gz BJUIVZZRXPJVIU-CZUORRHYSA-N 1 0 380.452 2.943 20 0 GFADRO C[C@H]([NH2+]CC(=O)N[C@@H](c1ccccc1)C1CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824553674 608462219 /nfs/dbraw/zinc/46/22/19/608462219.db2.gz FSZGOKRRNZCODR-XOBRGWDASA-N 1 0 376.464 2.785 20 0 GFADRO C[C@@H]([NH2+]Cc1ccc(F)cc1-c1nn[nH]n1)c1ccc(N2CCCC2=O)cc1 ZINC000824612666 608475930 /nfs/dbraw/zinc/47/59/30/608475930.db2.gz OLYOYALBAXNQMH-CYBMUJFWSA-N 1 0 380.427 2.983 20 0 GFADRO C[C@H]([NH2+]CC(=O)Nc1nc2ccccc2s1)c1cccc(-c2nn[nH]n2)c1 ZINC000824564872 608484156 /nfs/dbraw/zinc/48/41/56/608484156.db2.gz XLRHQAGRLQLJIP-NSHDSACASA-N 1 0 379.449 2.766 20 0 GFADRO Cc1cc2ncn(C[C@H](O)C[NH2+][C@H](C)c3cccc(-c4nn[nH]n4)c3)c2cc1C ZINC000826272870 608485283 /nfs/dbraw/zinc/48/52/83/608485283.db2.gz FKQYJWOXVNFBDQ-CRAIPNDOSA-N 1 0 391.479 2.545 20 0 GFADRO CC(C)c1ccc(CCNC(=O)C[NH2+][C@H](C)c2cccc(-c3nn[nH]n3)c2)cc1 ZINC000824347582 608486417 /nfs/dbraw/zinc/48/64/17/608486417.db2.gz FIIRHALZXVVAIY-MRXNPFEDSA-N 1 0 392.507 3.000 20 0 GFADRO COCCSc1ccc([C@@H](C)[NH2+]C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000826163332 608495476 /nfs/dbraw/zinc/49/54/76/608495476.db2.gz PIMZWEFMJNFQCF-KUHUBIRLSA-N 1 0 399.520 2.989 20 0 GFADRO CC[NH+]1CCN(Cc2cccc(OCc3ccccc3-c3nn[nH]n3)c2)CC1 ZINC000825460383 608495918 /nfs/dbraw/zinc/49/59/18/608495918.db2.gz VRAYEZOLDDTPEP-UHFFFAOYSA-N 1 0 378.480 2.583 20 0 GFADRO c1ccc(N2CCC([NH2+][C@H]3CCCc4cc(-c5nn[nH]n5)ccc43)CC2)nc1 ZINC000826521839 608502664 /nfs/dbraw/zinc/50/26/64/608502664.db2.gz AHVXJIKTKQFXJY-IBGZPJMESA-N 1 0 375.480 2.898 20 0 GFADRO c1ccc2c(c1)OCC[C@@H]2C[NH+]1CCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826524146 608504140 /nfs/dbraw/zinc/50/41/40/608504140.db2.gz KXXZSWXKXNNCEY-LJQANCHMSA-N 1 0 390.491 2.551 20 0 GFADRO O=C(NC1CC1)c1cccc(C[NH2+][C@@H]2CCCc3cc(-c4nn[nH]n4)ccc32)c1 ZINC000826429118 608505612 /nfs/dbraw/zinc/50/56/12/608505612.db2.gz UUFFHBZGQZMMLA-HXUWFJFHSA-N 1 0 388.475 2.926 20 0 GFADRO COc1ccsc1CN1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826221781 608506802 /nfs/dbraw/zinc/50/68/02/608506802.db2.gz UNHNWJHCMGFXMQ-UHFFFAOYSA-N 1 0 384.509 2.645 20 0 GFADRO COc1cccc2c1OC[C@H]([NH2+][C@@H]1CCCc3cc(-c4nn[nH]n4)ccc31)C2 ZINC000826217782 608507800 /nfs/dbraw/zinc/50/78/00/608507800.db2.gz BVJNBHXRTUSQSD-SJLPKXTDSA-N 1 0 377.448 2.846 20 0 GFADRO COc1ccc2oc(C[NH+]3CCN(c4ccccc4-c4nn[nH]n4)CC3)cc2c1 ZINC000826213793 608515400 /nfs/dbraw/zinc/51/54/00/608515400.db2.gz MPHYYWYTCPDZAU-UHFFFAOYSA-N 1 0 390.447 2.944 20 0 GFADRO Cc1ccccc1[C@@H]([NH2+]CCS(=O)(=O)c1cccc(-c2nn[nH]n2)c1)C(C)C ZINC000826305974 608520044 /nfs/dbraw/zinc/52/00/44/608520044.db2.gz NEYOFUBTHVVLCB-IBGZPJMESA-N 1 0 399.520 2.936 20 0 GFADRO O=C(C[NH2+][C@H](CC1CC1)c1ccccc1)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000826412616 608528172 /nfs/dbraw/zinc/52/81/72/608528172.db2.gz VOAQIKLZAFNUPZ-LJQANCHMSA-N 1 0 376.464 2.614 20 0 GFADRO Cc1ccccc1C[C@H](C)NC(=O)C[NH2+]C1(c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000826306944 608529275 /nfs/dbraw/zinc/52/92/75/608529275.db2.gz QTQWZBYJUKADFE-INIZCTEOSA-N 1 0 390.491 2.501 20 0 GFADRO CC(C)[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)Cc1cnc(N2CCCC2)nc1 ZINC000824293426 608531083 /nfs/dbraw/zinc/53/10/83/608531083.db2.gz LKXPMXYJBWEMFU-UHFFFAOYSA-N 1 0 378.484 2.668 20 0 GFADRO O=C(C[NH2+][C@@H](c1ccccc1)C1CCOCC1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000826412531 608535860 /nfs/dbraw/zinc/53/58/60/608535860.db2.gz RQEQQHWKKDYVAF-FQEVSTJZSA-N 1 0 392.463 2.563 20 0 GFADRO COc1ccc([C@H](C)C[NH+]2CCN(c3ccccc3-c3nn[nH]n3)CC2)cc1 ZINC000826188147 608581681 /nfs/dbraw/zinc/58/16/81/608581681.db2.gz OQVGPPLGDMBFHL-MRXNPFEDSA-N 1 0 378.480 2.801 20 0 GFADRO Fc1cccc(N2CC[NH+](Cc3cccc4cc[nH]c43)CC2)c1-c1nn[nH]n1 ZINC000826377102 608596334 /nfs/dbraw/zinc/59/63/34/608596334.db2.gz DWRDGBAGZLMVSC-UHFFFAOYSA-N 1 0 377.427 2.809 20 0 GFADRO C[NH+](C)[C@@H]1CCCN(Cc2cccc(OCc3cccc(-c4nn[nH]n4)c3)c2)C1 ZINC000825856123 608671493 /nfs/dbraw/zinc/67/14/93/608671493.db2.gz OMMSGVZEWPDXRO-HXUWFJFHSA-N 1 0 392.507 2.972 20 0 GFADRO CC(=O)Nc1ccc(C[NH+]2CCC(Oc3ccc(-c4nn[nH]n4)cc3)CC2)cc1 ZINC000823999958 608680208 /nfs/dbraw/zinc/68/02/08/608680208.db2.gz OQZGTJKQDSDWMA-UHFFFAOYSA-N 1 0 392.463 2.869 20 0 GFADRO CCC[N@H+](Cc1cnc2ccc(-c3nn[nH]n3)cn12)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000825323072 608720119 /nfs/dbraw/zinc/72/01/19/608720119.db2.gz NVVDQZKPJQHGAV-NXHRZFHOSA-N 1 0 381.484 2.540 20 0 GFADRO C[N@H+](Cc1cc(-c2nn[nH]n2)cs1)[C@@H](CO)c1cccc(Br)c1 ZINC000825953281 608741341 /nfs/dbraw/zinc/74/13/41/608741341.db2.gz CRBTUDIMJJCTES-AWEZNQCLSA-N 1 0 394.298 2.856 20 0 GFADRO C[C@@H]([NH2+]CCNC(=O)c1ccccc1Cl)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824599271 609142583 /nfs/dbraw/zinc/14/25/83/609142583.db2.gz NKOPMDSYLANLMJ-LLVKDONJSA-N 1 0 388.834 2.740 20 0 GFADRO C[C@H]([NH2+][C@H]1CCN(C(=O)C2CCCCC2)C1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824547652 609149603 /nfs/dbraw/zinc/14/96/03/609149603.db2.gz RCJVWCUMUIVRBQ-BBRMVZONSA-N 1 0 386.475 2.838 20 0 GFADRO C[C@@H](Cc1cccc(F)c1)[NH2+][C@@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000824457107 609168720 /nfs/dbraw/zinc/16/87/20/609168720.db2.gz FEKGPUWVLVNKPM-IFXJQAMLSA-N 1 0 394.454 2.722 20 0 GFADRO CCc1cccnc1[C@H](C)[NH2+][C@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000825728647 609169417 /nfs/dbraw/zinc/16/94/17/609169417.db2.gz UNYXMXBOHBRTCV-KSSFIOAISA-N 1 0 391.479 2.670 20 0 GFADRO Cc1cc(N2CCC[C@@H]([NH2+][C@H](C)c3cccc(-c4nn[nH]n4)c3)C2)nc(C)n1 ZINC000826269124 609233016 /nfs/dbraw/zinc/23/30/16/609233016.db2.gz AVTJKYRIIYVLIE-RDTXWAMCSA-N 1 0 378.484 2.593 20 0 GFADRO c1cc(NC2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)cc2c1OCC2 ZINC000826514384 609238328 /nfs/dbraw/zinc/23/83/28/609238328.db2.gz PYDRVFRGBMVDQI-UHFFFAOYSA-N 1 0 376.464 2.878 20 0 GFADRO C[C@@H](NC(=O)c1c(Cl)cc(-c2nn[nH]n2)cc1Cl)C1=CC[N@H+](C)CC1 ZINC000824505835 609314017 /nfs/dbraw/zinc/31/40/17/609314017.db2.gz IDKTVTNSKMGIQF-SECBINFHSA-N 1 0 381.267 2.554 20 0 GFADRO CN(C)C1(C[NH2+]Cc2cn(C)nc2-c2ccc(-c3nn[nH]n3)cc2)CCCCC1 ZINC000825850323 609335554 /nfs/dbraw/zinc/33/55/54/609335554.db2.gz OYWOCPRTKWCHOP-UHFFFAOYSA-N 1 0 394.527 2.621 20 0 GFADRO C[C@H]([NH2+]CC1CN(C(=O)OC(C)(C)C)C1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824577250 609345339 /nfs/dbraw/zinc/34/53/39/609345339.db2.gz ILWITIGDRLXHIW-NSHDSACASA-N 1 0 376.436 2.523 20 0 GFADRO CC[C@H](C(=O)OCc1ccc(-c2nn[nH]n2)cc1Br)[NH+](CC)CC ZINC000825039845 609345629 /nfs/dbraw/zinc/34/56/29/609345629.db2.gz XGGOLSHECCCQBH-CQSZACIVSA-N 1 0 396.289 2.793 20 0 GFADRO COc1cccc([C@H]2[C@@H]([NH2+]Cc3ccccc3-c3nn[nH]n3)CCN2C2CC2)c1 ZINC000826215786 609346816 /nfs/dbraw/zinc/34/68/16/609346816.db2.gz YTLGCJNZZGVCIA-SFTDATJTSA-N 1 0 390.491 2.943 20 0 GFADRO CC(C)CO[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2Br)C1 ZINC000824266905 609363555 /nfs/dbraw/zinc/36/35/55/609363555.db2.gz STZLKGJPNBPSLV-CQSZACIVSA-N 1 0 380.290 2.876 20 0 GFADRO C[C@@H](CNC(=O)c1ccccc1Oc1ccccc1-c1nn[nH]n1)[NH+]1CCCC1 ZINC000824428223 609380396 /nfs/dbraw/zinc/38/03/96/609380396.db2.gz QTGIDJHXLMSOTK-HNNXBMFYSA-N 1 0 392.463 2.873 20 0 GFADRO O=C(c1ccccc1Oc1ccccc1-c1nn[nH]n1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000826474230 609382457 /nfs/dbraw/zinc/38/24/57/609382457.db2.gz HBYVGTIRKHHOTR-OAHLLOKOSA-N 1 0 390.447 2.579 20 0 GFADRO O[C@@H]1CC[N@H+](Cc2ccccc2CNc2ccc(-c3nn[nH]n3)c(Cl)c2)C1 ZINC000826506723 609388840 /nfs/dbraw/zinc/38/88/40/609388840.db2.gz AQNBYAFSDWJQHM-MRXNPFEDSA-N 1 0 384.871 2.699 20 0 GFADRO O=C1[C@@H]([NH2+]Cc2cc3ccccc3o2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476736 609413617 /nfs/dbraw/zinc/41/36/17/609413617.db2.gz NWTNRHHEITWCRO-SFHVURJKSA-N 1 0 388.431 2.898 20 0 GFADRO CC(C)[N@@H+]1CC[C@@H](Nc2ccc(-c3nn[nH]n3)nn2)[C@@H]1c1ccc(F)c(F)c1 ZINC000824297785 609434204 /nfs/dbraw/zinc/43/42/04/609434204.db2.gz ZXUXQVBCKFDVBN-PBHICJAKSA-N 1 0 386.410 2.571 20 0 GFADRO C[C@H](NC(=O)c1sccc1-c1nn[nH]n1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000824522712 609455830 /nfs/dbraw/zinc/45/58/30/609455830.db2.gz USHFVBDVQPMRGT-ZFWWWQNUSA-N 1 0 382.493 2.569 20 0 GFADRO CC(C)(C)OC(=O)CCC[NH+]1CCC(Oc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000824100472 609526053 /nfs/dbraw/zinc/52/60/53/609526053.db2.gz QNNRUBHHNBHESS-UHFFFAOYSA-N 1 0 387.484 2.832 20 0 GFADRO CC[C@@H]1C[C@H](C[NH2+]C2CCC(Oc3ccc(-c4nn[nH]n4)cn3)CC2)CCO1 ZINC000825181071 609595899 /nfs/dbraw/zinc/59/58/99/609595899.db2.gz BZJCTVYQJCMSBW-CCGTUFIJSA-N 1 0 386.500 2.747 20 0 GFADRO OCCC[N@@H+]1CCC[C@H]1CNc1ncnc2cc(F)c(Br)cc21 ZINC000514653698 650575910 /nfs/dbraw/zinc/57/59/10/650575910.db2.gz WMGSAORJNPDJPK-NSHDSACASA-N 1 0 383.265 2.790 20 0 GFADRO Cc1ccc(C(=O)Nc2ccn(CC[NH+](C)C)n2)cc1I ZINC000524377725 650640664 /nfs/dbraw/zinc/64/06/64/650640664.db2.gz OQIGQPKFCPMGKP-UHFFFAOYSA-N 1 0 398.248 2.610 20 0 GFADRO CC[NH+]1CCC(N2CCCN(C(=S)NCCc3cccs3)CC2)CC1 ZINC000817565664 660200702 /nfs/dbraw/zinc/20/07/02/660200702.db2.gz FSCVKMPWJCRKHE-UHFFFAOYSA-N 1 0 380.627 2.657 20 0 GFADRO O=C(NC[C@H](O)c1cc(Cl)cc(Cl)c1)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000817945325 660212205 /nfs/dbraw/zinc/21/22/05/660212205.db2.gz ZPYXZIDEBSOTDD-CVEARBPZSA-N 1 0 383.279 2.578 20 0 GFADRO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000817995157 660212972 /nfs/dbraw/zinc/21/29/72/660212972.db2.gz ZCZDBACRADPUBC-UHFFFAOYSA-N 1 0 379.254 2.688 20 0 GFADRO COc1ccc(Br)cc1C(=O)CCC(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000818017433 660213931 /nfs/dbraw/zinc/21/39/31/660213931.db2.gz HZDAXSYIXQQNDW-SFHVURJKSA-N 1 0 395.297 2.775 20 0 GFADRO CN(C[C@H](O)C[NH2+]Cc1cc(F)cc(Br)c1)C(=O)OC(C)(C)C ZINC000818168838 660218392 /nfs/dbraw/zinc/21/83/92/660218392.db2.gz WDPVREFFLNMIRW-CQSZACIVSA-N 1 0 391.281 2.906 20 0 GFADRO CC(C)(C)OC(=O)N[C@@H]1C[C@H]([NH2+]Cc2ccc(S(C)(=O)=O)s2)C1(C)C ZINC000818216812 660219805 /nfs/dbraw/zinc/21/98/05/660219805.db2.gz ODJIUWWFNLPQQZ-QWHCGFSZSA-N 1 0 388.555 2.933 20 0 GFADRO O[C@H](C[NH2+]Cc1ccc(N2CCOCC2)nc1)c1ccccc1Br ZINC000818944587 660236033 /nfs/dbraw/zinc/23/60/33/660236033.db2.gz MVGMPAACEDGQKE-QGZVFWFLSA-N 1 0 392.297 2.504 20 0 GFADRO O[C@@H](C[NH2+]Cc1ccc(N2CCOCC2)nc1)c1ccc(Br)cc1 ZINC000818944803 660236360 /nfs/dbraw/zinc/23/63/60/660236360.db2.gz PVBZGFZVZYOLQH-KRWDZBQOSA-N 1 0 392.297 2.504 20 0 GFADRO CC(C)(C)OC(=O)NCC[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Cl ZINC000818982050 660241329 /nfs/dbraw/zinc/24/13/29/660241329.db2.gz DCUXEBXBSADQOD-GFCCVEGCSA-N 1 0 379.284 2.847 20 0 GFADRO COC(=O)N1CCC[C@@H]([NH2+]C[C@@](C)(O)c2ccc(Br)cc2F)C1 ZINC000819001884 660242903 /nfs/dbraw/zinc/24/29/03/660242903.db2.gz GAVWBIQEGXCTES-MLGOLLRUSA-N 1 0 389.265 2.616 20 0 GFADRO O=C1[C@H]([NH2+]C[C@@H](O)c2ccccc2Br)CCN1c1ccccc1 ZINC000819046258 660244472 /nfs/dbraw/zinc/24/44/72/660244472.db2.gz OSPXQPIJBLVSQI-IAGOWNOFSA-N 1 0 375.266 2.878 20 0 GFADRO CCc1cc(C[NH2+]C[C@H](O)COc2ccc(Cl)cc2Br)[nH]n1 ZINC000819053161 660244807 /nfs/dbraw/zinc/24/48/07/660244807.db2.gz GRHALJRMMOMXIK-ZDUSSCGKSA-N 1 0 388.693 2.918 20 0 GFADRO COC(=O)N1CCC(C[NH2+]CCC(=O)Nc2cccc(Br)c2)CC1 ZINC000819307629 660254306 /nfs/dbraw/zinc/25/43/06/660254306.db2.gz BOYDWWVVBGNHFD-UHFFFAOYSA-N 1 0 398.301 2.846 20 0 GFADRO C[C@@](O)(C[NH2+]Cc1ccc(CC(N)=O)cc1)c1ccc(Br)cc1F ZINC000819320013 660254705 /nfs/dbraw/zinc/25/47/05/660254705.db2.gz YCTVCZKVUKJDIR-GOSISDBHSA-N 1 0 395.272 2.613 20 0 GFADRO CN(C)c1ccc(NC(=O)CC[NH2+]CCCn2cc(Br)cn2)cc1 ZINC000819314720 660254724 /nfs/dbraw/zinc/25/47/24/660254724.db2.gz ISNOLKURICYRJP-UHFFFAOYSA-N 1 0 394.317 2.720 20 0 GFADRO CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH2+]C[C@H](O)c1cccc(Br)c1 ZINC000819335870 660255539 /nfs/dbraw/zinc/25/55/39/660255539.db2.gz CPTXITUBORVJAJ-XUWVNRHRSA-N 1 0 397.313 2.937 20 0 GFADRO O=S1(=O)C[C@@H](C[NH2+]C[C@H](O)c2cccc(Br)c2)c2ccccc21 ZINC000819336300 660255542 /nfs/dbraw/zinc/25/55/42/660255542.db2.gz FFRZEYSEHFKRDS-CJNGLKHVSA-N 1 0 396.306 2.643 20 0 GFADRO CCOC(=O)c1cccc(OC[C@@H](O)C[NH2+]C[C@]2(C)CC2(Cl)Cl)c1 ZINC000819348861 660256180 /nfs/dbraw/zinc/25/61/80/660256180.db2.gz RBQFFFWDNBEGET-BBRMVZONSA-N 1 0 376.280 2.777 20 0 GFADRO C[C@@]1(CC[NH2+]C[C@H](O)COc2ccc3c(c2)CCC(=O)N3)CC1(Cl)Cl ZINC000819349580 660256211 /nfs/dbraw/zinc/25/62/11/660256211.db2.gz LDCVGDMBNDCNEH-SUMWQHHRSA-N 1 0 387.307 2.875 20 0 GFADRO CCOC(=O)N1CC[C@H]([NH2+]C[C@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000819238461 660251475 /nfs/dbraw/zinc/25/14/75/660251475.db2.gz GLVVFYOZYWBVJB-RYUDHWBXSA-N 1 0 377.268 2.554 20 0 GFADRO COc1cc2[nH+]ccc(N3CCN4C(=O)OC[C@H]4C3)c2cc1Br ZINC000819926044 660275145 /nfs/dbraw/zinc/27/51/45/660275145.db2.gz PDECFLBNKSVRAQ-SNVBAGLBSA-N 1 0 378.226 2.647 20 0 GFADRO C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1cnn3cccc(Br)c13)C2 ZINC000821025679 660313556 /nfs/dbraw/zinc/31/35/56/660313556.db2.gz JQNDGFXJZRAVKC-KRWDZBQOSA-N 1 0 377.286 2.655 20 0 GFADRO CC[NH+](CC)CCOCCNC(=O)Nc1cc2ccc(Br)cn2n1 ZINC000482128483 647893052 /nfs/dbraw/zinc/89/30/52/647893052.db2.gz HOEQYPKMBXHYBU-UHFFFAOYSA-N 1 0 398.305 2.577 20 0 GFADRO C[C@H](C[NH+]1CCCCC1)NC(=O)[C@]1(C)CC1(Br)Br ZINC000821829989 660334864 /nfs/dbraw/zinc/33/48/64/660334864.db2.gz ASRBEQSRFTXGIT-PWSUYJOCSA-N 1 0 382.140 2.873 20 0 GFADRO C[NH+]1CCC(OCC(=O)N2CCC[C@H](C(F)(F)F)[C@@H]2C(F)(F)F)CC1 ZINC000821863678 660335736 /nfs/dbraw/zinc/33/57/36/660335736.db2.gz NTPUSLRCDAEDLT-WCQYABFASA-N 1 0 376.341 2.829 20 0 GFADRO CN(Cc1cccc(Br)c1OCC(C)(C)O)C(=O)C[NH+]1CCCC1 ZINC000822324835 660342917 /nfs/dbraw/zinc/34/29/17/660342917.db2.gz MZODGZCMBCHPNU-UHFFFAOYSA-N 1 0 399.329 2.653 20 0 GFADRO C[C@H]1CCC[N@H+](CCNC(=O)[C@]2(C)CC2(Br)Br)C1 ZINC000822103231 660340450 /nfs/dbraw/zinc/34/04/50/660340450.db2.gz RVPKWUXXWYGXKL-JQWIXIFHSA-N 1 0 382.140 2.731 20 0 GFADRO CN(CCC[NH+](C)C)CCNC(=O)Nc1cnc(Cl)c(Br)c1 ZINC000822594270 660349057 /nfs/dbraw/zinc/34/90/57/660349057.db2.gz KVMYLVGAIGYFKH-UHFFFAOYSA-N 1 0 392.729 2.503 20 0 GFADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)/C=C/[C@@H]1CCOC1 ZINC000822840617 660355628 /nfs/dbraw/zinc/35/56/28/660355628.db2.gz LSQQNOCKUOUDNW-CDVVCGDMSA-N 1 0 381.314 2.932 20 0 GFADRO C[C@H]1[NH2+]CC[C@H]1c1nc(CS(=O)(=O)c2cc(Cl)ccc2Cl)no1 ZINC000822901259 660357334 /nfs/dbraw/zinc/35/73/34/660357334.db2.gz QHLGNZQLOVZILY-PSASIEDQSA-N 1 0 376.265 2.816 20 0 GFADRO COc1cc(Br)c(Cc2noc([C@H]3C[C@@]34CC[NH2+]C4)n2)cc1OC ZINC000822909627 660357712 /nfs/dbraw/zinc/35/77/12/660357712.db2.gz CCYBYIFVXUCWAW-PIGZYNQJSA-N 1 0 394.269 2.907 20 0 GFADRO COc1ccc(Cc2noc(C[C@H]3CC[NH2+]C3)n2)c(Br)c1OC ZINC000822947728 660358838 /nfs/dbraw/zinc/35/88/38/660358838.db2.gz ZMCUHWORSRQXLG-SNVBAGLBSA-N 1 0 382.258 2.592 20 0 GFADRO COC[C@@]1(c2nc(CCCc3ccccc3Br)no2)CC[NH2+]C1 ZINC000822990287 660359521 /nfs/dbraw/zinc/35/95/21/660359521.db2.gz FGBFXOJQJBRKKJ-QGZVFWFLSA-N 1 0 380.286 2.885 20 0 GFADRO [NH3+]CCCCCc1nc(-c2n[nH]c(-c3cccc(Br)c3)n2)no1 ZINC000823184445 660364126 /nfs/dbraw/zinc/36/41/26/660364126.db2.gz FMXUDKQMNYTPLV-UHFFFAOYSA-N 1 0 377.246 2.956 20 0 GFADRO C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)NCC1SCCS1 ZINC000823407916 660371574 /nfs/dbraw/zinc/37/15/74/660371574.db2.gz ZQZLMTWZDSMIRZ-UHFFFAOYSA-N 1 0 375.510 2.844 20 0 GFADRO C[N@H+](CCCN1C(=O)c2ccccc2C1=O)Cc1cccc(Br)n1 ZINC000823634055 660377201 /nfs/dbraw/zinc/37/72/01/660377201.db2.gz WDVXYQZQYYYLRP-UHFFFAOYSA-N 1 0 388.265 2.962 20 0 GFADRO Cc1c(Br)ccc(F)c1C(=O)N1CCOC2(CC[NH+](C)CC2)C1 ZINC000823674139 660377745 /nfs/dbraw/zinc/37/77/45/660377745.db2.gz SAFIVDBPJVOXSH-UHFFFAOYSA-N 1 0 385.277 2.833 20 0 GFADRO Cn1ncc(C(=O)N2c3ccccc3CC[C@H]2C[NH+](C)C)c1Br ZINC000823897067 660382414 /nfs/dbraw/zinc/38/24/14/660382414.db2.gz BVNRLPGGYDXAKQ-ZDUSSCGKSA-N 1 0 377.286 2.706 20 0 GFADRO Cc1ccc(Br)c2cc(C(=O)N(CCO)C3CC[NH+](C)CC3)[nH]c21 ZINC000824152290 660386151 /nfs/dbraw/zinc/38/61/51/660386151.db2.gz VBAQYVHJNHNLDK-UHFFFAOYSA-N 1 0 394.313 2.768 20 0 GFADRO CC(C)(C)OC(=O)N1C[C@H]2C[C@@]2(C[NH2+]CCCn2cc(Br)cn2)C1 ZINC000824402736 660391290 /nfs/dbraw/zinc/39/12/90/660391290.db2.gz NPEXYMWBMKCLPC-CXAGYDPISA-N 1 0 399.333 2.882 20 0 GFADRO O=C(Cc1c(Cl)cccc1Br)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000824733631 660400220 /nfs/dbraw/zinc/40/02/20/660400220.db2.gz RGNZQKQJKXMQKK-NEPJUHHUSA-N 1 0 387.705 2.624 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)C[C@H]2C(=O)Nc3c2cccc3Br)C1 ZINC000824774478 660401590 /nfs/dbraw/zinc/40/15/90/660401590.db2.gz XELLKWXPKYRALC-DGCLKSJQSA-N 1 0 394.313 2.864 20 0 GFADRO CCN(C(=O)c1cc2ccc(Br)cc2c(=O)o1)[C@H]1CC[N@H+](C)C1 ZINC000824834983 660403330 /nfs/dbraw/zinc/40/33/30/660403330.db2.gz JNSAYQZYKGQYCT-ZDUSSCGKSA-N 1 0 379.254 2.722 20 0 GFADRO Cn1c(C(=O)N[C@]2(C)C[NH+]3CCC2CC3)cc2cc(Br)cnc21 ZINC000824894166 660404214 /nfs/dbraw/zinc/40/42/14/660404214.db2.gz GMDUUHFHEQEWPQ-QGZVFWFLSA-N 1 0 377.286 2.550 20 0 GFADRO C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]CCS(=O)(=O)C1CCOCC1 ZINC000824897018 660404449 /nfs/dbraw/zinc/40/44/49/660404449.db2.gz KHOQABWRBKNLDR-ZDUSSCGKSA-N 1 0 379.444 2.820 20 0 GFADRO CC1CC[NH+](CCCCNC(=O)c2c(Br)nc3n2CCC3)CC1 ZINC000825117900 660411295 /nfs/dbraw/zinc/41/12/95/660411295.db2.gz MLLHXUIXEWGARM-UHFFFAOYSA-N 1 0 383.334 2.834 20 0 GFADRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1c(Br)nc2n1CCC2 ZINC000825549108 660432733 /nfs/dbraw/zinc/43/27/33/660432733.db2.gz JOWOZKJLNNOJLT-CYBMUJFWSA-N 1 0 383.334 2.976 20 0 GFADRO COc1cc(C[NH2+]CC[S@](=O)CC(F)(F)F)cc(Br)c1O ZINC000850350179 661771329 /nfs/dbraw/zinc/77/13/29/661771329.db2.gz PIOVVJOYOWLYPH-NRFANRHFSA-N 1 0 390.221 2.564 20 0 GFADRO [NH3+]C1CCC(OCC(=O)N=c2sccn2Cc2ccccc2Cl)CC1 ZINC000826555557 660456875 /nfs/dbraw/zinc/45/68/75/660456875.db2.gz UUKUADSAPVYHFK-UHFFFAOYSA-N 1 0 379.913 2.965 20 0 GFADRO C[N@H+](CCNC(=O)[C@]1(C)CC1(Br)Br)C1CCCC1 ZINC000826564508 660457199 /nfs/dbraw/zinc/45/71/99/660457199.db2.gz GAQHNTMILKEVPA-LBPRGKRZSA-N 1 0 382.140 2.873 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3cnn(-c4ccc(Br)cc4)c3)CC[C@H]21 ZINC000827340020 660489967 /nfs/dbraw/zinc/48/99/67/660489967.db2.gz XCKZQHLMBGVEEE-CXAGYDPISA-N 1 0 389.297 2.801 20 0 GFADRO COc1cc(C(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)cc(Br)c1OC ZINC000827264270 660486902 /nfs/dbraw/zinc/48/69/02/660486902.db2.gz ALRGFALQVUPGND-BXUZGUMPSA-N 1 0 383.286 2.633 20 0 GFADRO Cc1csc(C(=O)N2CC[C@@H]3[C@H](CC[N@H+]3C)C2)c1I ZINC000827277208 660487586 /nfs/dbraw/zinc/48/75/86/660487586.db2.gz JAZMGNFEWLYIHP-GHMZBOCLSA-N 1 0 390.290 2.827 20 0 GFADRO O=C(NCC1([NH+]2CCSCC2)CCCCC1)c1cc(Br)n[nH]1 ZINC000827371433 660492362 /nfs/dbraw/zinc/49/23/62/660492362.db2.gz UTXSVNBHUHCKJU-UHFFFAOYSA-N 1 0 387.347 2.654 20 0 GFADRO CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)C/C=C/c2ccc(Br)cc2)C1 ZINC000827836642 660518777 /nfs/dbraw/zinc/51/87/77/660518777.db2.gz IINWPGNOZNBTNQ-CWDCEQMOSA-N 1 0 381.314 2.814 20 0 GFADRO CNc1cc2c(nn1)CC[N@H+](CCC(=O)Nc1cccc(Br)c1)C2 ZINC000605574456 651539997 /nfs/dbraw/zinc/53/99/97/651539997.db2.gz PMEKUSPLFWIQTR-UHFFFAOYSA-N 1 0 390.285 2.668 20 0 GFADRO Cc1ccc(S(=O)(=O)NC[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)c(Cl)n1 ZINC000828123675 660535434 /nfs/dbraw/zinc/53/54/34/660535434.db2.gz WLYHADYJUXAEDT-CVEARBPZSA-N 1 0 379.913 2.667 20 0 GFADRO Cc1cc([C@H]([NH3+])CC(=O)NC2CCN(CC(F)(F)F)CC2)cc(Cl)n1 ZINC000828144984 660537514 /nfs/dbraw/zinc/53/75/14/660537514.db2.gz RDDLXXRZZIERCB-CYBMUJFWSA-N 1 0 378.826 2.576 20 0 GFADRO Cc1ccc(Br)c2[nH]c(C(=O)N3CCC(O)(C[NH+](C)C)CC3)cc21 ZINC000828196562 660539073 /nfs/dbraw/zinc/53/90/73/660539073.db2.gz UZPHUATYQOHLRP-UHFFFAOYSA-N 1 0 394.313 2.768 20 0 GFADRO CC(C)(C)[NH2+]CCC(=O)Nc1ccc(N2CC[C@H](CO)C2)c(Br)c1 ZINC000828204690 660539465 /nfs/dbraw/zinc/53/94/65/660539465.db2.gz DDPLIFQCZVGCEV-ZDUSSCGKSA-N 1 0 398.345 2.984 20 0 GFADRO CS[C@H]1CN(C(=O)Nc2nnc(Cc3ccccc3)s2)C[C@H]1[NH+](C)C ZINC000612748439 651768460 /nfs/dbraw/zinc/76/84/60/651768460.db2.gz FVIYWGJZJLVIKZ-KGLIPLIRSA-N 1 0 377.539 2.638 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2csc(I)n2)C[C@@H]1C ZINC000828491147 660550584 /nfs/dbraw/zinc/55/05/84/660550584.db2.gz VDWLYKOPJUAAOB-VHSXEESVSA-N 1 0 393.294 2.693 20 0 GFADRO Cn1c(C(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)cc2cc(Br)cnc21 ZINC000828512086 660553538 /nfs/dbraw/zinc/55/35/38/660553538.db2.gz PWZFIBGTDUVVIG-SMDDNHRTSA-N 1 0 377.286 2.502 20 0 GFADRO CC(C)(C)C1=CC[N@H+](CCNC(=O)c2c(Br)nc3n2CCC3)CC1 ZINC000828846817 660572568 /nfs/dbraw/zinc/57/25/68/660572568.db2.gz UHLXASXMTNKRIM-UHFFFAOYSA-N 1 0 395.345 3.000 20 0 GFADRO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)c1cc(Br)c2nccnc2c1 ZINC000828958536 660576447 /nfs/dbraw/zinc/57/64/47/660576447.db2.gz GPSKTZPQQPCKMU-LSDHHAIUSA-N 1 0 375.270 2.701 20 0 GFADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2csc(I)n2)C1 ZINC000829174549 660584249 /nfs/dbraw/zinc/58/42/49/660584249.db2.gz HJODYXGVLDJOBR-JTQLQIEISA-N 1 0 393.294 2.552 20 0 GFADRO COc1ccc(Br)cc1C(=O)N(C)CC[NH+]1CC2(C1)CCOCC2 ZINC000829265736 660587016 /nfs/dbraw/zinc/58/70/16/660587016.db2.gz AGSDGSBDVPASBN-UHFFFAOYSA-N 1 0 397.313 2.642 20 0 GFADRO CCC[NH+]1CCN(c2ccc(NS(=O)(=O)C[C@H](C)OC)cc2Cl)CC1 ZINC000829673166 660606186 /nfs/dbraw/zinc/60/61/86/660606186.db2.gz NDSPEXOWQMKZEZ-AWEZNQCLSA-N 1 0 389.949 2.649 20 0 GFADRO C[C@H]1[C@@H](NC(=O)c2cnn(Cc3ccccc3)c2Br)CC[N@@H+]1C ZINC000830110970 660635767 /nfs/dbraw/zinc/63/57/67/660635767.db2.gz KMSRWUAAMBRIGY-WFASDCNBSA-N 1 0 377.286 2.516 20 0 GFADRO O=C(CC[N@@H+]1CC[C@H](CN2CCOC2=O)C1)Nc1ccccc1Br ZINC000830120806 660636461 /nfs/dbraw/zinc/63/64/61/660636461.db2.gz XDJPTMFYIOEGKF-ZDUSSCGKSA-N 1 0 396.285 2.552 20 0 GFADRO Brc1nc(Br)n(C[C@H]2CC[NH2+]C2)c1Br ZINC000830391427 660651985 /nfs/dbraw/zinc/65/19/85/660651985.db2.gz DPEPPKYQQBXGMF-YFKPBYRVSA-N 1 0 387.901 2.780 20 0 GFADRO CN(Cc1ncc(Cl)n1C)C(=O)[C@@](C)([NH3+])c1ccc(Br)cc1 ZINC000831535477 660712251 /nfs/dbraw/zinc/71/22/51/660712251.db2.gz WWURLWZYNKFAEX-HNNXBMFYSA-N 1 0 385.693 2.669 20 0 GFADRO O=C(N1C[C@@H]2CC[N@@H+](C[C@H](O)c3cccc(Cl)c3)C[C@@H]2C1)C(F)(F)F ZINC000831572031 660713306 /nfs/dbraw/zinc/71/33/06/660713306.db2.gz RESCNPJZHIOTEL-GUTXKFCHSA-N 1 0 376.806 2.716 20 0 GFADRO O=C(N1C[C@H]2CC[N@@H+](C[C@H](O)c3ccc(Cl)cc3)C[C@@H]2C1)C(F)(F)F ZINC000831572641 660713410 /nfs/dbraw/zinc/71/34/10/660713410.db2.gz WHKMKXNIZIPROS-NFAWXSAZSA-N 1 0 376.806 2.716 20 0 GFADRO C[NH+]1CCC2(CCCN(C(=O)c3c(Br)nc4n3CCC4)C2)CC1 ZINC000831729574 660723260 /nfs/dbraw/zinc/72/32/60/660723260.db2.gz WJEHSYAUALDGQW-UHFFFAOYSA-N 1 0 381.318 2.540 20 0 GFADRO CCO[C@H](CNC(=O)c1ccccc1CSC1=NCCS1)C[NH+](C)C ZINC000831766469 660725563 /nfs/dbraw/zinc/72/55/63/660725563.db2.gz QOPDYCPSVAILEU-OAHLLOKOSA-N 1 0 381.567 2.719 20 0 GFADRO COC(=O)c1ccc(C[N@@H+]2CCC[C@@H](c3nnc(N)o3)C2)c(Br)c1 ZINC000602890595 653213328 /nfs/dbraw/zinc/21/33/28/653213328.db2.gz BKTWNGPXADJERA-GFCCVEGCSA-N 1 0 395.257 2.581 20 0 GFADRO OC[C@@H](C[NH2+]Cc1cc(Br)ccc1Br)[C@H]1CCOC1 ZINC000894191363 663447588 /nfs/dbraw/zinc/44/75/88/663447588.db2.gz XSPBPNZIERSEBP-CMPLNLGQSA-N 1 0 393.119 2.946 20 0 GFADRO C[N@H+](C[C@H](O)COc1ccc(F)cc1)C[C@@H](O)c1ccccc1Br ZINC000832671614 660793753 /nfs/dbraw/zinc/79/37/53/660793753.db2.gz FJMDEODCUDBSJF-KBXCAEBGSA-N 1 0 398.272 2.993 20 0 GFADRO CC[NH+]1CCN(CC(C)(C)NS(=O)(=O)/C=C/c2cccc(Cl)c2)CC1 ZINC000832679298 660794790 /nfs/dbraw/zinc/79/47/90/660794790.db2.gz DHQAXOKOWHEJGH-MDWZMJQESA-N 1 0 385.961 2.646 20 0 GFADRO CSC1(CNC(=O)[C@H](O)c2ccc(Cl)c(Cl)c2)CC[NH+](C)CC1 ZINC000832898511 660803651 /nfs/dbraw/zinc/80/36/51/660803651.db2.gz JUQLBAQAJARBBV-CQSZACIVSA-N 1 0 377.337 2.970 20 0 GFADRO C[C@H]1CN(C(=O)c2cn3c(Br)cnc3s2)CC[N@@H+](C2CC2)C1 ZINC000832949794 660803929 /nfs/dbraw/zinc/80/39/29/660803929.db2.gz OYBMMDZHDNMUTK-SNVBAGLBSA-N 1 0 383.315 2.715 20 0 GFADRO C[C@@](O)(C[NH2+]CCCOC[C@H]1CCCO1)c1ccc(Br)cc1F ZINC000834357316 660816130 /nfs/dbraw/zinc/81/61/30/660816130.db2.gz LGNGBJYUVWWIPN-RHSMWYFYSA-N 1 0 390.293 2.971 20 0 GFADRO [NH3+][C@H](CNC(=O)c1cnn(-c2ncccc2Cl)c1C(F)(F)Cl)C1CC1 ZINC000834404682 660818909 /nfs/dbraw/zinc/81/89/09/660818909.db2.gz FDTLQAAPALQUTB-LLVKDONJSA-N 1 0 390.221 2.676 20 0 GFADRO C[C@H]1C[N@H+](CCCNC(=O)c2cc(Cl)nc(C(F)(F)F)c2)CCCO1 ZINC000834448046 660820787 /nfs/dbraw/zinc/82/07/87/660820787.db2.gz MLDGYMLCICPMPT-NSHDSACASA-N 1 0 379.810 2.985 20 0 GFADRO CC1([NH+]2CCC2)CCC(NC(=O)c2sccc2S(=O)(=O)C(F)F)CC1 ZINC000834792989 660833172 /nfs/dbraw/zinc/83/31/72/660833172.db2.gz VWINKVIPDMAIQP-UHFFFAOYSA-N 1 0 392.493 2.881 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)c2ccc(C3SCCS3)cc2)CC12CCOCC2 ZINC000834854250 660835425 /nfs/dbraw/zinc/83/54/25/660835425.db2.gz SUXQSTBAXCANLY-MRXNPFEDSA-N 1 0 378.563 2.993 20 0 GFADRO C[C@H]([NH2+]CCS(=O)(=O)C1CCOCC1)c1cc(Cl)c(N)c(Cl)c1 ZINC000834889860 660837109 /nfs/dbraw/zinc/83/71/09/660837109.db2.gz KKSCXCPHHZRJDS-JTQLQIEISA-N 1 0 381.325 2.820 20 0 GFADRO CCCC[C@H](C[NH3+])NC(=O)NCc1ccc(C(=O)OC)cc1Br ZINC000841958083 661318376 /nfs/dbraw/zinc/31/83/76/661318376.db2.gz OCZQSRRHXNYMGW-CYBMUJFWSA-N 1 0 386.290 2.552 20 0 GFADRO CN1CCC([NH+]2CCC(NC(=O)NCC[C@]3(C)CC3(Cl)Cl)CC2)CC1 ZINC000836278092 660897974 /nfs/dbraw/zinc/89/79/74/660897974.db2.gz IQRADXFOUQLJOL-QGZVFWFLSA-N 1 0 391.387 2.818 20 0 GFADRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@@H](O)c1ccccc1Br ZINC000836347048 660901115 /nfs/dbraw/zinc/90/11/15/660901115.db2.gz YFDLKSZHWQPWSP-JKIFEVAISA-N 1 0 398.345 2.902 20 0 GFADRO C[C@H](NC(=O)NC[C@H](O)c1ccccc1Br)C(C)(C)C[NH+](C)C ZINC000836351580 660901353 /nfs/dbraw/zinc/90/13/53/660901353.db2.gz KJCPSDDQBZKRSY-WFASDCNBSA-N 1 0 386.334 2.758 20 0 GFADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000836543326 660914947 /nfs/dbraw/zinc/91/49/47/660914947.db2.gz VLKUACYFJOTVAX-LTIDMASMSA-N 1 0 379.298 2.532 20 0 GFADRO CCS(=O)(=O)N1CCC([NH2+][C@H](C)c2cccc(Br)c2)CC1 ZINC000020554607 654524963 /nfs/dbraw/zinc/52/49/63/654524963.db2.gz KAGQOMOIFQGEAW-GFCCVEGCSA-N 1 0 375.332 2.914 20 0 GFADRO C[C@@H]([N@H+](C)CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1)C(C)(C)C ZINC000027133044 654562808 /nfs/dbraw/zinc/56/28/08/654562808.db2.gz WFBUUONTBGGZGA-GFCCVEGCSA-N 1 0 389.949 2.895 20 0 GFADRO COc1c(Br)cc(C[NH2+]CC(=O)NC(C)C)cc1Br ZINC000036325174 654612494 /nfs/dbraw/zinc/61/24/94/654612494.db2.gz LLAWMVPDLMVZDF-UHFFFAOYSA-N 1 0 394.107 2.834 20 0 GFADRO C[N@H+](CCC(=O)Nc1sccc1C(N)=O)Cc1ccc(Br)o1 ZINC000030217412 654583821 /nfs/dbraw/zinc/58/38/21/654583821.db2.gz DJIBMDBARCFVMB-UHFFFAOYSA-N 1 0 386.271 2.663 20 0 GFADRO O=C(NCCC[NH2+]Cc1cccnc1)c1ccc(I)cc1 ZINC000036279385 654612171 /nfs/dbraw/zinc/61/21/71/654612171.db2.gz HCTKFUZJEZMWKX-UHFFFAOYSA-N 1 0 395.244 2.596 20 0 GFADRO C[NH+]1CCN(c2ccc(Br)cc2NC(=O)C[C@@H]2CCCO2)CC1 ZINC000042395683 654639738 /nfs/dbraw/zinc/63/97/38/654639738.db2.gz ZXOIQDISFCGFQA-AWEZNQCLSA-N 1 0 382.302 2.709 20 0 GFADRO NC(=O)C1CC[NH+](CCCCNC(=S)Nc2ccc(F)c(Cl)c2)CC1 ZINC000044159597 654654723 /nfs/dbraw/zinc/65/47/23/654654723.db2.gz AYLGTCBBNIQJJQ-UHFFFAOYSA-N 1 0 386.924 2.743 20 0 GFADRO C[C@H]1CCCC[N@@H+]1CCNC(=O)/C=C/c1ccc(I)o1 ZINC000046859032 654686805 /nfs/dbraw/zinc/68/68/05/654686805.db2.gz IFHTYZHJDUILQT-WMADIVHISA-N 1 0 388.249 2.888 20 0 GFADRO C[NH+](C)C1(CNC(=O)CNC(=O)c2cccc(Br)c2)CCCCC1 ZINC000046868500 654686982 /nfs/dbraw/zinc/68/69/82/654686982.db2.gz XSGZGOBTXWQAMX-UHFFFAOYSA-N 1 0 396.329 2.560 20 0 GFADRO O=C(/C=C/c1ccc(I)o1)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000046995353 654688587 /nfs/dbraw/zinc/68/85/87/654688587.db2.gz RYXFCSQVXKQLGH-MVTQWGDUSA-N 1 0 386.233 2.640 20 0 GFADRO C[C@@H]1C[NH+](CCCNC(=O)CCOc2cccc(Br)c2)C[C@@H](C)O1 ZINC000047681718 654699289 /nfs/dbraw/zinc/69/92/89/654699289.db2.gz VWXHMLMJBQOGOA-HUUCEWRRSA-N 1 0 399.329 2.834 20 0 GFADRO O=C(c1ccc(I)cc1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000048231463 654704007 /nfs/dbraw/zinc/70/40/07/654704007.db2.gz ZAUWQKCMZFAVLL-HNNXBMFYSA-N 1 0 384.261 2.992 20 0 GFADRO C[NH+](C)C1(CNC(=O)C(=O)Nc2cccc(Br)c2)CCCCC1 ZINC000048721638 654712035 /nfs/dbraw/zinc/71/20/35/654712035.db2.gz JOTVYRFAIVEEDD-UHFFFAOYSA-N 1 0 382.302 2.768 20 0 GFADRO CCN1C(=O)CN(C[N@@H+]2CCC[C@@H]2Cc2ccc(Br)cc2)C1=O ZINC000122155553 654729719 /nfs/dbraw/zinc/72/97/19/654729719.db2.gz DWXUXEMUXNVFJZ-OAHLLOKOSA-N 1 0 380.286 2.698 20 0 GFADRO CC(C)(C)[N@@H+]1CCCN(CN2c3ccc(Br)cc3C(=O)C2=O)CC1 ZINC000052087289 654732879 /nfs/dbraw/zinc/73/28/79/654732879.db2.gz JXOLJFYUFPIMFI-UHFFFAOYSA-N 1 0 394.313 2.742 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)c1cc(=O)[nH]c2c(Br)cccc12 ZINC000122316273 654733648 /nfs/dbraw/zinc/73/36/48/654733648.db2.gz LCWVZZGUGFBJNO-YGRLFVJLSA-N 1 0 378.270 2.633 20 0 GFADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)c2ccc(Br)cc2F)CC1 ZINC000122337729 654734429 /nfs/dbraw/zinc/73/44/29/654734429.db2.gz AQSPESAIOMPQEE-ZDUSSCGKSA-N 1 0 386.309 2.592 20 0 GFADRO O=C(CC[NH+]1CCC(NC(=O)C2CC2)CC1)Nc1ccccc1Br ZINC000052698376 654738417 /nfs/dbraw/zinc/73/84/17/654738417.db2.gz GKVVDNORCRDHGG-UHFFFAOYSA-N 1 0 394.313 2.768 20 0 GFADRO CCCCC[N@H+](CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl)C(C)C ZINC000122627877 654741215 /nfs/dbraw/zinc/74/12/15/654741215.db2.gz SJDFVUQMFIGXTN-UHFFFAOYSA-N 1 0 375.922 2.827 20 0 GFADRO C[C@H]1C[C@@H](NC(=O)NCCOc2ccc(Br)cc2)C[N@@H+]1C1CC1 ZINC000123199542 654753052 /nfs/dbraw/zinc/75/30/52/654753052.db2.gz HTMODLAPBFLWEM-GXTWGEPZSA-N 1 0 382.302 2.752 20 0 GFADRO C[C@H]1C[C@@H](N(C)C(=O)c2csc(I)c2)CC[N@@H+]1C ZINC000123486134 654757537 /nfs/dbraw/zinc/75/75/37/654757537.db2.gz UOPLMIYJHMOGHQ-ONGXEEELSA-N 1 0 378.279 2.907 20 0 GFADRO CC1CC[NH+](CCNC(=O)CCN2C(=S)N=NC2c2cccs2)CC1 ZINC000054779520 654764011 /nfs/dbraw/zinc/76/40/11/654764011.db2.gz GEZTTXUDWGUFGG-UHFFFAOYSA-N 1 0 379.555 2.534 20 0 GFADRO C[C@@]1(O)CCC[N@H+](C[C@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000124067879 654770415 /nfs/dbraw/zinc/77/04/15/654770415.db2.gz LEYIWOZWKRPGJU-SWLSCSKDSA-N 1 0 378.694 2.689 20 0 GFADRO Cc1c(C(=O)NCC[NH+]2CCCCC2)nnn1-c1cccc(Br)c1 ZINC000055365955 654774094 /nfs/dbraw/zinc/77/40/94/654774094.db2.gz BDKDAKSQXSLWSF-UHFFFAOYSA-N 1 0 392.301 2.554 20 0 GFADRO O=C1CNC(=O)N1CC[NH2+]C1(Cc2ccc(Br)cc2)CCCCC1 ZINC000124960286 654784872 /nfs/dbraw/zinc/78/48/72/654784872.db2.gz QJQRNZAVJIWKDY-UHFFFAOYSA-N 1 0 394.313 2.836 20 0 GFADRO COc1c(Br)cc(Cl)cc1S(=O)(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000124974171 654785380 /nfs/dbraw/zinc/78/53/80/654785380.db2.gz XBBMFQPCINEHDP-ZJUUUORDSA-N 1 0 397.722 2.659 20 0 GFADRO CN(C)CC[NH+]1CCC(CNC(=O)c2cc(F)cc(Br)c2)CC1 ZINC000125340793 654791337 /nfs/dbraw/zinc/79/13/37/654791337.db2.gz LGBGFHSEJUVNFJ-UHFFFAOYSA-N 1 0 386.309 2.592 20 0 GFADRO COCCCNC(=O)C1CC[NH+](CCOc2ccc(Br)cc2)CC1 ZINC000056308201 654792438 /nfs/dbraw/zinc/79/24/38/654792438.db2.gz CKEQGTNOZNFQEE-UHFFFAOYSA-N 1 0 399.329 2.693 20 0 GFADRO C[N@@H+](Cc1cccc(C(N)=O)c1)C[C@@H](O)COc1ccc(Cl)cc1Cl ZINC000056514827 654796537 /nfs/dbraw/zinc/79/65/37/654796537.db2.gz VUWIBNRSJWZNPG-OAHLLOKOSA-N 1 0 383.275 2.964 20 0 GFADRO C[C@@H](CNC(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1)[NH+]1CCCCC1 ZINC000056560673 654797110 /nfs/dbraw/zinc/79/71/10/654797110.db2.gz LBRZUUJPGBXCLZ-LBPRGKRZSA-N 1 0 375.441 2.679 20 0 GFADRO COc1cc(C(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)sc1Br ZINC000127932381 654837603 /nfs/dbraw/zinc/83/76/03/654837603.db2.gz QPYVUUSENFDMEJ-QWRGUYRKSA-N 1 0 391.331 2.748 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)[C@H]1CCN(c2cc(Cl)ccc2Cl)C1=O)C1CC1 ZINC000128387350 654845591 /nfs/dbraw/zinc/84/55/91/654845591.db2.gz DVZQHFUDZBLMIH-CJNGLKHVSA-N 1 0 384.307 2.803 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)[C@@H]1CCN(c2cc(Cl)ccc2Cl)C1=O)C1CC1 ZINC000128387130 654845604 /nfs/dbraw/zinc/84/56/04/654845604.db2.gz DVZQHFUDZBLMIH-XJKSGUPXSA-N 1 0 384.307 2.803 20 0 GFADRO C[NH+]1CCC(NC(=S)N2CCN(Cc3ccc(F)cc3Cl)CC2)CC1 ZINC000063148444 654849744 /nfs/dbraw/zinc/84/97/44/654849744.db2.gz ZYJXYWAJALHJDN-UHFFFAOYSA-N 1 0 384.952 2.565 20 0 GFADRO O=C(c1ccc(I)cc1)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000063199051 654850593 /nfs/dbraw/zinc/85/05/93/654850593.db2.gz JNLFAVVGXNJFJQ-HNNXBMFYSA-N 1 0 384.261 2.895 20 0 GFADRO COc1cc(C[NH2+]CC(C)(C)N(C)C)cc(I)c1OC ZINC000063312835 654852145 /nfs/dbraw/zinc/85/21/45/654852145.db2.gz HHXCZGJTCYJQFN-UHFFFAOYSA-N 1 0 392.281 2.738 20 0 GFADRO C[C@@H]([NH2+]Cc1nc(-c2cccc(Br)c2)c[nH]1)[C@@H]1CN(C)CCO1 ZINC000129119308 654857325 /nfs/dbraw/zinc/85/73/25/654857325.db2.gz VMJMIVVZWXPUOS-WBMJQRKESA-N 1 0 379.302 2.648 20 0 GFADRO CC[NH+]1CCC(n2nccc2NC(=O)c2c[nH]c(=O)c(Br)c2)CC1 ZINC000266140253 654859071 /nfs/dbraw/zinc/85/90/71/654859071.db2.gz OKYNLEZGOCIMPO-UHFFFAOYSA-N 1 0 394.273 2.655 20 0 GFADRO Cc1n[nH]c(C)c1C[NH2+]CCc1ccc(S(=O)(=O)N2CCCCC2)s1 ZINC000266172359 654860894 /nfs/dbraw/zinc/86/08/94/654860894.db2.gz RPHYZDZXXXLGRE-UHFFFAOYSA-N 1 0 382.555 2.595 20 0 GFADRO Cc1nc(C(=O)N2C[C@@H](C)[C@@H]([NH+](C)C)C2)nn1-c1c(Cl)cccc1Cl ZINC000266223174 654864454 /nfs/dbraw/zinc/86/44/54/654864454.db2.gz RWGATDSVDCJTAO-YGRLFVJLSA-N 1 0 382.295 2.905 20 0 GFADRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(I)cc1)[C@H]1CCOC1 ZINC000266293874 654869874 /nfs/dbraw/zinc/86/98/74/654869874.db2.gz KOVBWPRSTDVVPV-WOPDTQHZSA-N 1 0 388.249 2.633 20 0 GFADRO CC(C)[C@@H](C(=O)N1CCN(Cc2ccc(Br)s2)CC1)[NH+](C)C ZINC000129659062 654870865 /nfs/dbraw/zinc/87/08/65/654870865.db2.gz ZGFPEYVQQUYPOY-HNNXBMFYSA-N 1 0 388.375 2.741 20 0 GFADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)c2cc(Br)cn2C(C)C)CC1 ZINC000266324806 654872059 /nfs/dbraw/zinc/87/20/59/654872059.db2.gz QLAHPBNRVVIWBQ-HNNXBMFYSA-N 1 0 399.377 2.835 20 0 GFADRO COCCNS(=O)(=O)c1cccc(C[NH2+][C@@H](C)c2ccnc(Cl)c2)c1 ZINC000130468121 654889084 /nfs/dbraw/zinc/88/90/84/654889084.db2.gz UPWDSZJDTFGZRI-ZDUSSCGKSA-N 1 0 383.901 2.511 20 0 GFADRO Cc1n[nH]c(C(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2)c1Br ZINC000065931498 654890760 /nfs/dbraw/zinc/89/07/60/654890760.db2.gz OPLFCFIOJOZTAN-UHFFFAOYSA-N 1 0 383.265 2.824 20 0 GFADRO CC[NH+](CC)CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@H](C)NC(N)=O ZINC000065936386 654891049 /nfs/dbraw/zinc/89/10/49/654891049.db2.gz RLVBNURYOXDOKY-LBPRGKRZSA-N 1 0 389.327 2.721 20 0 GFADRO O[C@@H](C[NH2+]Cc1ccc2c[nH]nc2c1)COc1ccccc1Br ZINC000130973329 654894535 /nfs/dbraw/zinc/89/45/35/654894535.db2.gz LTSAJFWIDRNWRP-AWEZNQCLSA-N 1 0 376.254 2.855 20 0 GFADRO CC[C@H](C)[N@H+](C)CCNC(=O)c1cc(F)ccc1I ZINC000066139491 654895722 /nfs/dbraw/zinc/89/57/22/654895722.db2.gz OYBLEWRVNMAFRC-JTQLQIEISA-N 1 0 378.229 2.890 20 0 GFADRO C[C@@H]([NH2+]C[C@@H](c1ccsc1)N(C)C)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000266839041 654896197 /nfs/dbraw/zinc/89/61/97/654896197.db2.gz GIRCATLTZUIDMM-KDOFPFPSSA-N 1 0 381.567 2.952 20 0 GFADRO COc1ccc(Br)cc1CNC(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000066192009 654896385 /nfs/dbraw/zinc/89/63/85/654896385.db2.gz FOOAHSFOLTWRTN-HNNXBMFYSA-N 1 0 382.302 2.837 20 0 GFADRO O[C@@H](COc1ccc(Br)cc1)CN1CCC[C@@H]1C[NH+]1CCCC1 ZINC000066536353 654905467 /nfs/dbraw/zinc/90/54/67/654905467.db2.gz BHTSCKXNXJFCAS-IAGOWNOFSA-N 1 0 383.330 2.749 20 0 GFADRO O=C(NCCCC[N@H+]1CCC[C@@H]1CO)[C@H]1C[C@@H]1c1ccc(Br)cc1 ZINC000131496946 654908243 /nfs/dbraw/zinc/90/82/43/654908243.db2.gz RLVBXNWUDHVYBJ-KURKYZTESA-N 1 0 395.341 2.906 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)c(C)c1CNC[C@@](C)(O)C[NH+](C)C ZINC000131521832 654909330 /nfs/dbraw/zinc/90/93/30/654909330.db2.gz BNUTYPWSUNUFOK-GOSISDBHSA-N 1 0 395.345 2.654 20 0 GFADRO C[NH+](C)[C@@]1(CNC(=O)N(Cc2cccs2)C[C@H]2CCCO2)CCSC1 ZINC000267135911 654913009 /nfs/dbraw/zinc/91/30/09/654913009.db2.gz DMKJDZSCDGCLLI-CRAIPNDOSA-N 1 0 383.583 2.876 20 0 GFADRO CC(=O)Nc1ccc(S(=O)(=O)NCC2([NH+](C)C)CCCCC2)cc1Cl ZINC000267202581 654917191 /nfs/dbraw/zinc/91/71/91/654917191.db2.gz NERJDSMXKZXKOZ-UHFFFAOYSA-N 1 0 387.933 2.841 20 0 GFADRO CCS(=O)(=O)NCCC[N@@H+]1CCC[C@H]1Cc1ccc(Br)cc1 ZINC000131769035 654917447 /nfs/dbraw/zinc/91/74/47/654917447.db2.gz BGRQERKRPQSMOL-INIZCTEOSA-N 1 0 389.359 2.785 20 0 GFADRO C[NH+](C)C[C@H]1CCCCN1C(=O)/C=C/c1ccc(I)o1 ZINC000066948459 654923225 /nfs/dbraw/zinc/92/32/25/654923225.db2.gz READDLZTQYIILO-YPUOHESYSA-N 1 0 388.249 2.840 20 0 GFADRO CC[N@H+](C)CCNC(=O)N[C@@H](C)c1cc2c(cc1Br)OCCO2 ZINC000067002035 654925031 /nfs/dbraw/zinc/92/50/31/654925031.db2.gz MEDLJSOSKQENPT-NSHDSACASA-N 1 0 386.290 2.532 20 0 GFADRO C[NH+]1CCN(Cc2ccc(CNc3ncc(Br)cn3)cc2)CC1 ZINC000067367958 654937109 /nfs/dbraw/zinc/93/71/09/654937109.db2.gz GKGCRSAPPNQHEJ-UHFFFAOYSA-N 1 0 376.302 2.599 20 0 GFADRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)Nc1cccc(Br)c1 ZINC000067398259 654937891 /nfs/dbraw/zinc/93/78/91/654937891.db2.gz GCFKBRCPEJWERL-CHWSQXEVSA-N 1 0 382.302 2.624 20 0 GFADRO CC(=O)NC[C@@H]1CCC[N@@H+](CC(=O)N(C)Cc2ccc(Cl)c(Cl)c2)C1 ZINC000067417064 654939059 /nfs/dbraw/zinc/93/90/59/654939059.db2.gz JLURXKIDSXTJJF-HNNXBMFYSA-N 1 0 386.323 2.800 20 0 GFADRO Cc1ccc(-n2cnnc2SCC(=O)NCC[N@@H+](C)C2CC2)cc1Cl ZINC000067701213 654943028 /nfs/dbraw/zinc/94/30/28/654943028.db2.gz NRBQRHWZVBKGMT-UHFFFAOYSA-N 1 0 379.917 2.532 20 0 GFADRO COc1cc(C[NH2+]CC(C)(C)CS(C)(=O)=O)c(F)cc1Br ZINC000922733953 664612510 /nfs/dbraw/zinc/61/25/10/664612510.db2.gz HMUPYWOUIQUVQB-UHFFFAOYSA-N 1 0 382.295 2.757 20 0 GFADRO C[C@@H](Cn1cc(Br)cn1)[NH2+][C@H]1CC(=O)N(c2c(F)cccc2F)C1 ZINC000133341705 654960941 /nfs/dbraw/zinc/96/09/41/654960941.db2.gz ZXXCUHRLEQKAES-JQWIXIFHSA-N 1 0 399.239 2.707 20 0 GFADRO CC[C@H](C)[N@H+](C)CCC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1Cl ZINC000068450174 654962342 /nfs/dbraw/zinc/96/23/42/654962342.db2.gz VRTHIJRQWROMHM-LBPRGKRZSA-N 1 0 375.922 2.649 20 0 GFADRO C[C@H](NC(=O)C(=O)Nc1ccc(Br)c(F)c1)C(C)(C)C[NH+](C)C ZINC000133503897 654965041 /nfs/dbraw/zinc/96/50/41/654965041.db2.gz UKUPAPYCGZMHKI-JTQLQIEISA-N 1 0 388.281 2.619 20 0 GFADRO Cc1cc(S(=O)(=O)N2CCC([NH2+]CC3CC3)CC2)sc1Br ZINC000133645724 654969443 /nfs/dbraw/zinc/96/94/43/654969443.db2.gz ZMLCMJWCZDLSEV-UHFFFAOYSA-N 1 0 393.372 2.972 20 0 GFADRO C[NH+](C)CCCCCOC(=O)[C@H]1CCCCN1S(=O)(=O)c1cccs1 ZINC000133653518 654969767 /nfs/dbraw/zinc/96/97/67/654969767.db2.gz PCTFDJCAGPKZLA-OAHLLOKOSA-N 1 0 388.555 2.566 20 0 GFADRO COc1ccc(C(=O)NC[C@@H](C)[N@H+](C)C2CC2)c(I)c1 ZINC000268427511 654971111 /nfs/dbraw/zinc/97/11/11/654971111.db2.gz ZKNZKDMYRWARIM-SNVBAGLBSA-N 1 0 388.249 2.512 20 0 GFADRO C[C@@H]1C[NH+](CCCNC(=O)NCc2cccc(Br)c2)C[C@@H](C)O1 ZINC000069104547 654973365 /nfs/dbraw/zinc/97/33/65/654973365.db2.gz KLQFZXWHEKWUFF-ZIAGYGMSSA-N 1 0 384.318 2.748 20 0 GFADRO CC[C@H](C[NH+]1CCCC1)NC(=O)N(C)C[C@@H](O)c1ccccc1Br ZINC000838517279 661048514 /nfs/dbraw/zinc/04/85/14/661048514.db2.gz GMUDWPBJXWEKDC-RHSMWYFYSA-N 1 0 398.345 2.998 20 0 GFADRO CC[N@@H+](Cc1cc(Br)ccc1F)C[C@@H](O)COC[C@@H]1CCCO1 ZINC000069520708 654982789 /nfs/dbraw/zinc/98/27/89/654982789.db2.gz NDWWAXITBUOAJS-CVEARBPZSA-N 1 0 390.293 2.967 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000268694464 654983027 /nfs/dbraw/zinc/98/30/27/654983027.db2.gz HYXBKORGSHYOFA-UHFFFAOYSA-N 1 0 394.313 2.693 20 0 GFADRO O=C(Cc1ccc(Br)cc1)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000069742999 654986104 /nfs/dbraw/zinc/98/61/04/654986104.db2.gz HYXLLTFZHVEWDC-MRXNPFEDSA-N 1 0 381.314 2.562 20 0 GFADRO O=C(CN1CCC[C@@H](C[NH+]2CCOCC2)C1)Nc1c(Cl)cccc1Cl ZINC000069804983 654986572 /nfs/dbraw/zinc/98/65/72/654986572.db2.gz IMZFWODVYVCVLZ-AWEZNQCLSA-N 1 0 386.323 2.976 20 0 GFADRO CC[NH+](CC)CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)CNC(=O)NC ZINC000134219668 654986909 /nfs/dbraw/zinc/98/69/09/654986909.db2.gz UKYZMNLSQLVKEC-UHFFFAOYSA-N 1 0 389.327 2.593 20 0 GFADRO O=C(CN1CCC[C@H](C[NH+]2CCOCC2)C1)Nc1cccc(Cl)c1Cl ZINC000069857757 654987434 /nfs/dbraw/zinc/98/74/34/654987434.db2.gz SCOMXVKDVKIKSF-CQSZACIVSA-N 1 0 386.323 2.976 20 0 GFADRO CCC[N@@H+]1CCC[C@H]1CNC(=O)N(C)C[C@@H](O)c1ccccc1Br ZINC000838591252 661050459 /nfs/dbraw/zinc/05/04/59/661050459.db2.gz SXITXEYILGPJFV-WMLDXEAASA-N 1 0 398.345 2.998 20 0 GFADRO CC[C@@H](Cc1ccccc1Br)C(=O)N[C@H](C)CN1CC[NH+](C)CC1 ZINC000134297553 654989700 /nfs/dbraw/zinc/98/97/00/654989700.db2.gz BVTCXQLWPMPKLM-CVEARBPZSA-N 1 0 396.373 2.770 20 0 GFADRO O=C(NCc1ccccc1Br)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000268947405 654992424 /nfs/dbraw/zinc/99/24/24/654992424.db2.gz BTJOPINYITVIIE-IAGOWNOFSA-N 1 0 396.329 2.626 20 0 GFADRO CS[C@@H]1CCCC[N@H+](CC(=O)N(C)CC(=O)Nc2ccccc2Cl)C1 ZINC000134542866 654996115 /nfs/dbraw/zinc/99/61/15/654996115.db2.gz ZPRCRJHCMINERO-CQSZACIVSA-N 1 0 383.945 2.954 20 0 GFADRO Cc1cc(C(=O)Nc2ccc(N3CC[NH2+]CC3)cn2)c(Br)s1 ZINC000269174971 655000728 /nfs/dbraw/zinc/00/07/28/655000728.db2.gz XEZOAHSQTCYNIU-UHFFFAOYSA-N 1 0 381.299 2.876 20 0 GFADRO C[C@@H]1CN(C(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)CC[C@@H]1[NH3+] ZINC000269200919 655001464 /nfs/dbraw/zinc/00/14/64/655001464.db2.gz KGBHBJAVVZETBW-RLCCDNCMSA-N 1 0 384.307 2.794 20 0 GFADRO O=C(C[C@@H]1C[NH2+]CCO1)Nc1ncc(Cc2ccc(Br)cc2)s1 ZINC000269215621 655001842 /nfs/dbraw/zinc/00/18/42/655001842.db2.gz VEHTVMSSUDXGIS-CYBMUJFWSA-N 1 0 396.310 2.813 20 0 GFADRO CC(C)[C@H]([NH3+])CNC(=O)CCc1nc(-c2cc(Br)cs2)no1 ZINC000269283355 655004156 /nfs/dbraw/zinc/00/41/56/655004156.db2.gz RMFIXFTVHLPJPS-SNVBAGLBSA-N 1 0 387.303 2.593 20 0 GFADRO CS(=O)(=O)NCC[C@@H]1CCCC[N@@H+]1C[C@H](O)c1ccc(Cl)cc1Cl ZINC000135067096 655008482 /nfs/dbraw/zinc/00/84/82/655008482.db2.gz BHBKBLIMKUWQSP-BBRMVZONSA-N 1 0 395.352 2.821 20 0 GFADRO CCn1cc(C[NH+]2CCC(C(=O)Nc3ccc(Br)cn3)CC2)cn1 ZINC000091842990 655010616 /nfs/dbraw/zinc/01/06/16/655010616.db2.gz UBHPOZMDPIFBKZ-UHFFFAOYSA-N 1 0 392.301 2.911 20 0 GFADRO C[NH+]1CCN(c2cc(CNC(=O)CCc3cc(Cl)cs3)ccn2)CC1 ZINC000135385428 655015436 /nfs/dbraw/zinc/01/54/36/655015436.db2.gz YOQNSELHPOJSQV-UHFFFAOYSA-N 1 0 378.929 2.797 20 0 GFADRO O=C(NC1CC[NH+](CC2(O)CCCCC2)CC1)c1coc(Br)c1 ZINC000135438092 655016965 /nfs/dbraw/zinc/01/69/65/655016965.db2.gz MWDNSIMHAZPKRT-UHFFFAOYSA-N 1 0 385.302 2.932 20 0 GFADRO CNC(=O)[C@@H]1CCC[N@H+](Cc2cn(-c3ccc(Br)cc3)nc2C)C1 ZINC000093360534 655018561 /nfs/dbraw/zinc/01/85/61/655018561.db2.gz QRSREHMWGDFVKG-CQSZACIVSA-N 1 0 391.313 2.901 20 0 GFADRO C[NH+](C)C[C@H]1CCN(C(=O)[C@@H](c2ccc(Br)cc2)N2CCCC2)C1 ZINC000135562755 655020513 /nfs/dbraw/zinc/02/05/13/655020513.db2.gz KAGBDZAPCHNWOY-CRAIPNDOSA-N 1 0 394.357 2.996 20 0 GFADRO C[NH+](C)Cc1cccc(CNS(=O)(=O)c2c[nH]c3nccc(Cl)c23)c1 ZINC000093907671 655022474 /nfs/dbraw/zinc/02/24/74/655022474.db2.gz RUEFEIQNIUBORY-UHFFFAOYSA-N 1 0 378.885 2.756 20 0 GFADRO C[C@@H]([NH2+]C1CCN(S(=O)(=O)C(F)(F)F)CC1)c1ccccc1N(C)C ZINC000093946943 655025419 /nfs/dbraw/zinc/02/54/19/655025419.db2.gz KYGDRMJHXBZXJT-GFCCVEGCSA-N 1 0 379.448 2.717 20 0 GFADRO O=C(NCC[NH+]1CCCCC1)c1ccnc(Cl)c1I ZINC000136018704 655026836 /nfs/dbraw/zinc/02/68/36/655026836.db2.gz OIQYBANBEJZGEZ-UHFFFAOYSA-N 1 0 393.656 2.555 20 0 GFADRO COCCCN(C[C@H](O)c1ccc(Cl)cc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000136358738 655030384 /nfs/dbraw/zinc/03/03/84/655030384.db2.gz CLMXUDYRXJJXMI-CJNGLKHVSA-N 1 0 396.336 2.552 20 0 GFADRO O[C@H](C[NH2+]CCc1cccc(Br)c1)COc1ccc2c(c1)OCO2 ZINC000136364259 655030630 /nfs/dbraw/zinc/03/06/30/655030630.db2.gz HECYNXJJCPMQRH-OAHLLOKOSA-N 1 0 394.265 2.750 20 0 GFADRO CC[NH+]1CCN(C[C@H](C)CNS(=O)(=O)/C=C/c2ccc(Cl)cc2)CC1 ZINC000096999678 655033153 /nfs/dbraw/zinc/03/31/53/655033153.db2.gz WZIHDXRJQUXUGJ-WDBUWWRISA-N 1 0 385.961 2.504 20 0 GFADRO CC(C)[NH+]1CCC(N(C)C(=O)c2cncc(I)c2)CC1 ZINC000270122773 655034724 /nfs/dbraw/zinc/03/47/24/655034724.db2.gz KPYQXVUOOBALTG-UHFFFAOYSA-N 1 0 387.265 2.631 20 0 GFADRO COc1ccc(Br)c(C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)c1 ZINC000097590533 655036439 /nfs/dbraw/zinc/03/64/39/655036439.db2.gz PFVWFRBCWBFCKS-ZDUSSCGKSA-N 1 0 397.313 2.688 20 0 GFADRO Cc1ccc(NC(=O)C[C@@H]2CSCC[NH2+]2)cc1I ZINC000097695992 655037471 /nfs/dbraw/zinc/03/74/71/655037471.db2.gz WLHXRAWKRQBUPN-LLVKDONJSA-N 1 0 376.263 2.633 20 0 GFADRO Cc1ccc(NC(=O)C[C@H]2CSCC[NH2+]2)cc1I ZINC000097695993 655037586 /nfs/dbraw/zinc/03/75/86/655037586.db2.gz WLHXRAWKRQBUPN-NSHDSACASA-N 1 0 376.263 2.633 20 0 GFADRO O=C(c1cncc(I)c1)N1CCC([NH+]2CCCCC2)CC1 ZINC000270221034 655037675 /nfs/dbraw/zinc/03/76/75/655037675.db2.gz NDBYQXROZNSVNL-UHFFFAOYSA-N 1 0 399.276 2.777 20 0 GFADRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2cccc(Br)n2)[C@H](C)C1 ZINC000137107179 655037806 /nfs/dbraw/zinc/03/78/06/655037806.db2.gz BGVXMNUVPJVMLM-ZIAGYGMSSA-N 1 0 384.318 2.711 20 0 GFADRO Cc1cc(S(=O)(=O)N(C)CC2([NH+](C)C)CCC2)sc1Br ZINC000097935695 655038344 /nfs/dbraw/zinc/03/83/44/655038344.db2.gz CAIYJBFLHXZNFJ-UHFFFAOYSA-N 1 0 381.361 2.924 20 0 GFADRO Cc1cc(Br)ccc1C(=O)Nc1ccc(=O)n(CC[NH+](C)C)c1 ZINC000270249352 655038610 /nfs/dbraw/zinc/03/86/10/655038610.db2.gz QFLWZBNCLQBQJG-UHFFFAOYSA-N 1 0 378.270 2.733 20 0 GFADRO CCOC(=O)CCCNC(=O)C[NH2+]C1(c2ccc(Br)cc2)CCC1 ZINC000101545364 655043272 /nfs/dbraw/zinc/04/32/72/655043272.db2.gz IQDUPNVRXGHLRK-UHFFFAOYSA-N 1 0 397.313 2.877 20 0 GFADRO CCCC[N@H+](C)CC1CCN(Cn2cc(I)cn2)CC1 ZINC000151802139 655054604 /nfs/dbraw/zinc/05/46/04/655054604.db2.gz LKAFZGNYAUGEMI-UHFFFAOYSA-N 1 0 390.313 2.889 20 0 GFADRO C[NH+]1CCC(NC(=O)N2CCO[C@H](c3ccccc3Br)C2)CC1 ZINC000101771358 655047099 /nfs/dbraw/zinc/04/70/99/655047099.db2.gz QGLGBBYDWCDNGP-INIZCTEOSA-N 1 0 382.302 2.626 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)NCC[N@@H+](C)C(C)C ZINC000102060669 655050373 /nfs/dbraw/zinc/05/03/73/655050373.db2.gz PCYUMIUFDGRGMS-UHFFFAOYSA-N 1 0 399.333 2.726 20 0 GFADRO CCOc1cc(CNC[C@H]2C[N@@H+]3CCC[C@H]3CO2)cc(Br)c1O ZINC000838938368 661063928 /nfs/dbraw/zinc/06/39/28/661063928.db2.gz FHPYBEFUNXEMHP-KBPBESRZSA-N 1 0 385.302 2.506 20 0 GFADRO CC[N@H+](CCNC(=O)[C@@H]1CCN(c2ccccc2Br)C1=O)C(C)C ZINC000102479781 655055599 /nfs/dbraw/zinc/05/55/99/655055599.db2.gz AJGXOCMQLSIUAK-AWEZNQCLSA-N 1 0 396.329 2.649 20 0 GFADRO CC[N@H+](CCNC(=O)NC[C@@H](O)COc1cccc(Cl)c1Cl)C(C)C ZINC000102570237 655056081 /nfs/dbraw/zinc/05/60/81/655056081.db2.gz KQKBHPSTLACGEU-CYBMUJFWSA-N 1 0 392.327 2.763 20 0 GFADRO O=C(CNC(=O)C[N@@H+]1CCC[C@@H]1C1CCC1)Nc1ccccc1Br ZINC000102926235 655063732 /nfs/dbraw/zinc/06/37/32/655063732.db2.gz WXAYSIUPLOQNPO-MRXNPFEDSA-N 1 0 394.313 2.768 20 0 GFADRO O=[N+]([O-])c1ccc([C@@H](O)[C@@H](CO)[NH2+]Cc2ccc(Br)cc2)cc1 ZINC000153011382 655063871 /nfs/dbraw/zinc/06/38/71/655063871.db2.gz LHFUERGVBBJTFT-HZPDHXFCSA-N 1 0 381.226 2.541 20 0 GFADRO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000153193516 655065270 /nfs/dbraw/zinc/06/52/70/655065270.db2.gz LUCNBGKUMNBOGB-GFCCVEGCSA-N 1 0 393.281 2.936 20 0 GFADRO Brc1cnn(CN2CCC(C[NH+]3CCOCC3)CC2)c1C1CC1 ZINC000153209707 655065502 /nfs/dbraw/zinc/06/55/02/655065502.db2.gz IXJGFETXSUTQGO-UHFFFAOYSA-N 1 0 383.334 2.525 20 0 GFADRO O=S(=O)(NC[C@H]1CC[N@H+](CCc2ccccc2)C1)c1ccc(Cl)nc1 ZINC000103163897 655068638 /nfs/dbraw/zinc/06/86/38/655068638.db2.gz VRLCLAMYJJFPOR-MRXNPFEDSA-N 1 0 379.913 2.578 20 0 GFADRO C[C@H](C(=O)Nc1ccc(Br)cc1)[NH+]1CCC(CCC(N)=O)CC1 ZINC000271278300 655074069 /nfs/dbraw/zinc/07/40/69/655074069.db2.gz YYRUJWBWCIOKFJ-GFCCVEGCSA-N 1 0 382.302 2.754 20 0 GFADRO CN(CC1CC[NH+](C)CC1)C(=O)CCn1c(=S)[nH]nc1-c1cccs1 ZINC000103531838 655074415 /nfs/dbraw/zinc/07/44/15/655074415.db2.gz XGLQMIYXTMMUMU-UHFFFAOYSA-N 1 0 379.555 2.859 20 0 GFADRO O=C(C[C@@H]1CSCCS1)OCCN1CCN(Cc2ccsc2)CC1 ZINC000154452753 655075900 /nfs/dbraw/zinc/07/59/00/655075900.db2.gz ZYAHXBKGVLJCEP-MRXNPFEDSA-N 1 0 386.608 2.648 20 0 GFADRO O=C1NC(=O)C2(CC[NH+]([C@@H]3CCCc4ccc(Br)cc43)CC2)N1 ZINC000271395121 655079463 /nfs/dbraw/zinc/07/94/63/655079463.db2.gz MMMKFDGYVKZEPG-CQSZACIVSA-N 1 0 378.270 2.501 20 0 GFADRO C[NH+](C)CC(C)(C)CNC(=O)[C@H]1CSCN1C(=O)c1ccc(Cl)cc1 ZINC000104214062 655079760 /nfs/dbraw/zinc/07/97/60/655079760.db2.gz PVVOZRLCBGAWHJ-OAHLLOKOSA-N 1 0 383.945 2.559 20 0 GFADRO C[N@@H+]1CCN(C(=O)c2nccn3c(Br)cnc23)C2(CCCCC2)C1 ZINC000271445236 655081512 /nfs/dbraw/zinc/08/15/12/655081512.db2.gz WCFOUKIHMLLDCB-UHFFFAOYSA-N 1 0 392.301 2.582 20 0 GFADRO O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000155201864 655082092 /nfs/dbraw/zinc/08/20/92/655082092.db2.gz BGDIDDNCDATTPV-GFCCVEGCSA-N 1 0 383.246 2.963 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)c2cc(=O)[nH]c3ccc(Br)cc32)C1 ZINC000156368752 655092385 /nfs/dbraw/zinc/09/23/85/655092385.db2.gz NCUOYAJESZNMRV-MNOVXSKESA-N 1 0 378.270 2.902 20 0 GFADRO NC(=O)[C@H]([NH2+]CCc1cnn(-c2ccccc2)c1)c1ccc(Br)cc1 ZINC000105400738 655092392 /nfs/dbraw/zinc/09/23/92/655092392.db2.gz WZAQSDXJUPQKEV-GOSISDBHSA-N 1 0 399.292 2.994 20 0 GFADRO C[N@H+]1CC=C(CNC(=O)c2cc(Cl)ccc2I)CC1 ZINC000271772576 655094215 /nfs/dbraw/zinc/09/42/15/655094215.db2.gz APXFZDAPDWKGDB-UHFFFAOYSA-N 1 0 390.652 2.936 20 0 GFADRO C[C@@H]([NH2+]CCS(=O)(=O)C(C)(C)C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000156675486 655095034 /nfs/dbraw/zinc/09/50/34/655095034.db2.gz CTCKNJGXROLSAD-HUUCEWRRSA-N 1 0 376.563 2.825 20 0 GFADRO C[C@@H]([NH2+]C[C@H](c1ccccc1Cl)N(C)C)c1cccc(S(N)(=O)=O)c1 ZINC000271854620 655096782 /nfs/dbraw/zinc/09/67/82/655096782.db2.gz MULNJVRBVYUZCI-FZKQIMNGSA-N 1 0 381.929 2.941 20 0 GFADRO CS(=O)(=O)[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)C1 ZINC000271974092 655099733 /nfs/dbraw/zinc/09/97/33/655099733.db2.gz VCXKJGAHODHKRU-AXAPSJFSSA-N 1 0 388.892 2.530 20 0 GFADRO O=S1(=O)CC[C@]2(C1)C[C@H]([NH2+]Cc1ccc(Cl)c3cccnc13)CCO2 ZINC000271976628 655099752 /nfs/dbraw/zinc/09/97/52/655099752.db2.gz IRQIITPBCSKDKD-RDTXWAMCSA-N 1 0 380.897 2.714 20 0 GFADRO CN(CC[NH2+]Cc1ccc2c(c1)CC(C)(C)O2)S(=O)(=O)c1cccs1 ZINC000158284091 655106080 /nfs/dbraw/zinc/10/60/80/655106080.db2.gz DKSZGKDUFJOCLN-UHFFFAOYSA-N 1 0 380.535 2.872 20 0 GFADRO C[NH+](C)C1CCN(C[C@@H](O)COc2ccc(Cl)cc2Br)CC1 ZINC000106382742 655107592 /nfs/dbraw/zinc/10/75/92/655107592.db2.gz LIXHASHDADTPDQ-CQSZACIVSA-N 1 0 391.737 2.868 20 0 GFADRO C[N@@H+]1CC[C@H]2CCN(C(=O)Nc3cccc(I)c3)[C@@H]2C1 ZINC000272287798 655108033 /nfs/dbraw/zinc/10/80/33/655108033.db2.gz NRHRZJOYQPJKQM-SMDDNHRTSA-N 1 0 385.249 2.849 20 0 GFADRO C[NH+](C)C1(C(=O)N2CCN(C(=O)c3cc(Cl)cc(Cl)c3)CC2)CCC1 ZINC000158697962 655108496 /nfs/dbraw/zinc/10/84/96/655108496.db2.gz ZQKFFHTVKJETCL-UHFFFAOYSA-N 1 0 384.307 2.762 20 0 GFADRO COc1ccc(Br)cc1CNC(=O)N1CC[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000272322731 655109032 /nfs/dbraw/zinc/10/90/32/655109032.db2.gz IWJFMZGCRDNKGY-SWLSCSKDSA-N 1 0 382.302 2.693 20 0 GFADRO O=C(NCC[NH+]1CCCCC1)c1cnn(-c2cccc(Br)c2)c1 ZINC000106742250 655110261 /nfs/dbraw/zinc/11/02/61/655110261.db2.gz VFDACQCKNVYDCA-UHFFFAOYSA-N 1 0 377.286 2.851 20 0 GFADRO CC(C)N1CC[NH+](C2CCN(Cc3cccc(Br)n3)CC2)CC1 ZINC000272390462 655110995 /nfs/dbraw/zinc/11/09/95/655110995.db2.gz HCFQUWYMMWVBQJ-UHFFFAOYSA-N 1 0 381.362 2.835 20 0 GFADRO CC[NH+]1CCN([C@H]2CCN(C(=O)c3csc(-c4cccs4)n3)C2)CC1 ZINC000106805151 655111579 /nfs/dbraw/zinc/11/15/79/655111579.db2.gz LKEGCEUUJHKODD-AWEZNQCLSA-N 1 0 376.551 2.724 20 0 GFADRO COC(=O)C1(O)CC[NH+](CCSc2ccnc3cc(Cl)ccc32)CC1 ZINC000272441375 655112895 /nfs/dbraw/zinc/11/28/95/655112895.db2.gz IOPJTEUUZZVUOA-UHFFFAOYSA-N 1 0 380.897 2.980 20 0 GFADRO C[N@@H+]1CC[C@H]2CCN(C(=O)c3cc(F)ccc3I)[C@@H]2C1 ZINC000272455680 655113146 /nfs/dbraw/zinc/11/31/46/655113146.db2.gz JWROZHWLZWZNNO-IINYFYTJSA-N 1 0 388.224 2.597 20 0 GFADRO O=S(=O)(N[C@@H]1CC[N@@H+](C2CCCC2)C1)c1ccccc1OC(F)(F)F ZINC000106891800 655113338 /nfs/dbraw/zinc/11/33/38/655113338.db2.gz FROCGMVDWWIFEK-GFCCVEGCSA-N 1 0 378.416 2.880 20 0 GFADRO O=C(CNC(=O)c1ccc(Cl)cc1Cl)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000106919674 655114913 /nfs/dbraw/zinc/11/49/13/655114913.db2.gz CLZLULLTYHVGAA-CYBMUJFWSA-N 1 0 384.307 2.856 20 0 GFADRO C[NH+](C)Cc1cccc(NC(=O)C(=O)NCc2ccc(Br)cc2)c1 ZINC000106971919 655116293 /nfs/dbraw/zinc/11/62/93/655116293.db2.gz HOPRDCLSJCPEMT-UHFFFAOYSA-N 1 0 390.281 2.766 20 0 GFADRO CS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)c1 ZINC000107531400 655121812 /nfs/dbraw/zinc/12/18/12/655121812.db2.gz YRWWFTDFUNRZBA-AWEZNQCLSA-N 1 0 384.929 2.834 20 0 GFADRO CC(C)[NH+]1CCC(NCc2cn(-c3ccccc3Br)nn2)CC1 ZINC000272821173 655122389 /nfs/dbraw/zinc/12/23/89/655122389.db2.gz CIFRBUDQEOQOOV-UHFFFAOYSA-N 1 0 378.318 2.992 20 0 GFADRO Cc1ccc(I)cc1C(=O)N[C@H](C)C1=CC[N@H+](C)CC1 ZINC000272836234 655122847 /nfs/dbraw/zinc/12/28/47/655122847.db2.gz ZBZPYWQFFHLMID-GFCCVEGCSA-N 1 0 384.261 2.980 20 0 GFADRO COC(=O)C1=NOC2(C1)CC[NH+](CCOc1cccc(Br)c1)CC2 ZINC000161284449 655126775 /nfs/dbraw/zinc/12/67/75/655126775.db2.gz MZYKFRAYLGKWEE-UHFFFAOYSA-N 1 0 397.269 2.612 20 0 GFADRO CCOCCOc1ccc(Br)cc1/C=C/C(=O)NC[C@H]1CC[NH2+]C1 ZINC000273075889 655129651 /nfs/dbraw/zinc/12/96/51/655129651.db2.gz WLXCXMQWHMSVIC-ZRFDWSJLSA-N 1 0 397.313 2.603 20 0 GFADRO O=C(NCCC[NH+]1CCCCCC1)c1sccc1S(=O)(=O)C(F)F ZINC000108255431 655129931 /nfs/dbraw/zinc/12/99/31/655129931.db2.gz JROIPVRMVVLORI-UHFFFAOYSA-N 1 0 380.482 2.740 20 0 GFADRO C[C@H]([NH2+][C@@H](C)c1cnn(C)c1)C(=O)Nc1cccc(I)c1 ZINC000273278600 655137690 /nfs/dbraw/zinc/13/76/90/655137690.db2.gz HZWAWTMOPHBVGC-QWRGUYRKSA-N 1 0 398.248 2.703 20 0 GFADRO CS[C@@H]1CN(C(=O)CSCC(=O)c2ccccc2)C[C@@H]1[NH+]1CCCC1 ZINC000273503077 655145806 /nfs/dbraw/zinc/14/58/06/655145806.db2.gz MLIDFJYTVVAWJF-FUHWJXTLSA-N 1 0 378.563 2.641 20 0 GFADRO C[C@@H](CNS(=O)(=O)c1ccccc1OC(F)(F)F)[NH+]1CCC(C)CC1 ZINC000109390747 655146219 /nfs/dbraw/zinc/14/62/19/655146219.db2.gz XBHWPRNQKFBPSJ-ZDUSSCGKSA-N 1 0 380.432 2.984 20 0 GFADRO C[NH+](C)CCN(Cc1ccccn1)S(=O)(=O)c1ccc(Cl)nc1Cl ZINC000170960363 655147457 /nfs/dbraw/zinc/14/74/57/655147457.db2.gz SATJDHOBXLIJRM-UHFFFAOYSA-N 1 0 389.308 2.536 20 0 GFADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)NCCc2ccccc2Br)C1 ZINC000109475861 655147427 /nfs/dbraw/zinc/14/74/27/655147427.db2.gz AAYGAEMIHYUIDC-MRXNPFEDSA-N 1 0 398.345 2.648 20 0 GFADRO COCCNC(=O)[C@H]1CC[C@H](C)[N@H+](Cc2sc(C)nc2C(F)(F)F)C1 ZINC000273636237 655151890 /nfs/dbraw/zinc/15/18/90/655151890.db2.gz SYCUFKWLJFMVHM-JQWIXIFHSA-N 1 0 379.448 2.833 20 0 GFADRO CC(C)(O)C[NH+]1CCN(C(=O)Nc2ccc(SC(F)(F)F)nc2)CC1 ZINC000839177561 661074787 /nfs/dbraw/zinc/07/47/87/661074787.db2.gz FHAJMSCTXBYRAT-UHFFFAOYSA-N 1 0 378.420 2.614 20 0 GFADRO CC[N@@H+]1CCCN(C(=O)[C@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)CC1 ZINC000110814675 655159945 /nfs/dbraw/zinc/15/99/45/655159945.db2.gz VKYLNSOQFJFARV-CQSZACIVSA-N 1 0 384.307 2.901 20 0 GFADRO CCC[NH+]1CCC(N(C)Cc2nnnn2-c2ccccc2Br)CC1 ZINC000111240674 655167046 /nfs/dbraw/zinc/16/70/46/655167046.db2.gz RWMSBRNTYRMYEV-UHFFFAOYSA-N 1 0 393.333 2.731 20 0 GFADRO C[N@H+](CCn1cccn1)C[C@H](O)COc1ccc(Cl)cc1Br ZINC000111278969 655167745 /nfs/dbraw/zinc/16/77/45/655167745.db2.gz CXMZWEDRNCBJNP-ZDUSSCGKSA-N 1 0 388.693 2.671 20 0 GFADRO NC(=O)[C@@H](c1ccc(Br)cc1)N1CCC([NH2+]C2CCCC2)CC1 ZINC000111299875 655168233 /nfs/dbraw/zinc/16/82/33/655168233.db2.gz GZJVLWNIZULFGG-QGZVFWFLSA-N 1 0 380.330 2.972 20 0 GFADRO Brc1ccc2[nH]nc(-c3nc([C@H]4C[N@@H+]5CCC[C@H]5CO4)no3)c2c1 ZINC000274005870 655168498 /nfs/dbraw/zinc/16/84/98/655168498.db2.gz OAYLTPNVGYMIQZ-GXFFZTMASA-N 1 0 390.241 2.911 20 0 GFADRO C[C@@H](CN1CCN(C)CC1)[NH2+]Cc1nc(-c2cccc(Br)c2)c[nH]1 ZINC000111385218 655172574 /nfs/dbraw/zinc/17/25/74/655172574.db2.gz YHWDPSOHRKBORX-AWEZNQCLSA-N 1 0 392.345 2.565 20 0 GFADRO CCN1CC[NH+](C[C@H](C)CNC(=O)c2cc(Br)ccc2C)CC1 ZINC000173719428 655177619 /nfs/dbraw/zinc/17/76/19/655177619.db2.gz FCQDRBFBVCBFRU-CQSZACIVSA-N 1 0 382.346 2.761 20 0 GFADRO C[NH+](C)CCn1ccc(NC(=O)NC[C@H](O)c2c(Cl)cccc2Cl)n1 ZINC000173928276 655185978 /nfs/dbraw/zinc/18/59/78/655185978.db2.gz IZFMDGDIAGIIMS-ZDUSSCGKSA-N 1 0 386.283 2.607 20 0 GFADRO Cc1cccc(NC(=O)C(=O)NCC2(C)CC[NH+](C)CC2)c1Br ZINC000274472874 655189970 /nfs/dbraw/zinc/18/99/70/655189970.db2.gz ZVTNBVPKESIPPO-UHFFFAOYSA-N 1 0 382.302 2.544 20 0 GFADRO C[N@H+](C[C@@H](O)COc1ccc(F)cc1)C[C@@H](O)c1cccc(Br)c1 ZINC000839637691 661097699 /nfs/dbraw/zinc/09/76/99/661097699.db2.gz XXQISALLQRSZIX-SJLPKXTDSA-N 1 0 398.272 2.993 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)NCC[NH2+]C(C)(C)C ZINC000174242936 655194946 /nfs/dbraw/zinc/19/49/46/655194946.db2.gz RNNYWLDBTQQFEE-CQSZACIVSA-N 1 0 386.583 2.855 20 0 GFADRO CC(C)[C@H](CNC(=O)COc1ccc(Cl)c(Cl)c1)[NH+]1CCN(C)CC1 ZINC000112914289 655199367 /nfs/dbraw/zinc/19/93/67/655199367.db2.gz XMVKFDUDCLAPJL-KRWDZBQOSA-N 1 0 388.339 2.760 20 0 GFADRO C[C@H]([NH2+]CCCCCS(C)(=O)=O)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000274759863 655200304 /nfs/dbraw/zinc/20/03/04/655200304.db2.gz DHJQVZCZNCQYFA-LBPRGKRZSA-N 1 0 383.482 2.548 20 0 GFADRO COC[C@H]1CCC[N@H+](CC(=O)N(C)Cc2cc(Br)cs2)C1 ZINC000112989337 655200725 /nfs/dbraw/zinc/20/07/25/655200725.db2.gz CBQRVNJXFRJTMM-LBPRGKRZSA-N 1 0 375.332 2.827 20 0 GFADRO CN(Cc1ccccc1Br)C(=O)CC[NH2+]Cc1ccc(CO)o1 ZINC000174376374 655200735 /nfs/dbraw/zinc/20/07/35/655200735.db2.gz RUQJKAJETNCPLB-UHFFFAOYSA-N 1 0 381.270 2.673 20 0 GFADRO COc1ccc(C[NH2+]CC2CCN(S(=O)(=O)C(F)F)CC2)cc1Cl ZINC000174384984 655201033 /nfs/dbraw/zinc/20/10/33/655201033.db2.gz XBAOUMJPCYPVLS-UHFFFAOYSA-N 1 0 382.860 2.703 20 0 GFADRO C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]CCCCCS(C)(=O)=O ZINC000274770312 655201052 /nfs/dbraw/zinc/20/10/52/655201052.db2.gz HGWSQKMXCSCVPS-HNNXBMFYSA-N 1 0 388.961 2.882 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)Cc2csc(-c3ccc(Cl)cc3Cl)n2)CCO1 ZINC000274794471 655202195 /nfs/dbraw/zinc/20/21/95/655202195.db2.gz NQRFENPFDZBUEY-GFCCVEGCSA-N 1 0 386.304 2.846 20 0 GFADRO CC[NH+](CC)[C@H]1CCN(C(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)C1 ZINC000174582860 655204440 /nfs/dbraw/zinc/20/44/40/655204440.db2.gz HBYCETFKQAEWFJ-ZDUSSCGKSA-N 1 0 375.441 2.631 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2cc(Cl)c(N)c(Cl)c2)C[C@H]1C ZINC000839499040 661087907 /nfs/dbraw/zinc/08/79/07/661087907.db2.gz NCGJOOMHALHIMY-ZYHUDNBSSA-N 1 0 387.311 2.845 20 0 GFADRO CN(c1ncnc2ccc(I)cc21)[C@H]1CCC[N@H+](C)C1 ZINC000175047630 655213520 /nfs/dbraw/zinc/21/35/20/655213520.db2.gz IYBQYQVZBHRTDF-LBPRGKRZSA-N 1 0 382.249 2.765 20 0 GFADRO C[NH+](C)C1(CNC(=O)NCCCc2cccc(Br)c2)CCOCC1 ZINC000114027742 655217424 /nfs/dbraw/zinc/21/74/24/655217424.db2.gz YDGSXYNVLQMUKC-UHFFFAOYSA-N 1 0 398.345 2.792 20 0 GFADRO CC[NH+](CC)CCSCC(=O)N1CCC(Oc2cncc(Cl)n2)CC1 ZINC000275172576 655221116 /nfs/dbraw/zinc/22/11/16/655221116.db2.gz YBGPJFVGIAEZJE-UHFFFAOYSA-N 1 0 386.949 2.575 20 0 GFADRO C[C@H](CNC(=O)c1cc2cc(Br)ccc2o1)C[NH+]1CCN(C)CC1 ZINC000114380274 655223101 /nfs/dbraw/zinc/22/31/01/655223101.db2.gz VSSKPKDEEYSCKX-CYBMUJFWSA-N 1 0 394.313 2.809 20 0 GFADRO C[NH+](C)C[C@@H]1CCN(C(=O)c2ccc(-n3cc(Br)cn3)cc2)C1 ZINC000114400110 655223331 /nfs/dbraw/zinc/22/33/31/655223331.db2.gz ONPQTNAETPQDFI-ZDUSSCGKSA-N 1 0 377.286 2.659 20 0 GFADRO C[NH+](C)C[C@@H]1CCN(C(=O)N[C@H]2CCOc3ccc(Br)cc32)C1 ZINC000275344934 655230883 /nfs/dbraw/zinc/23/08/83/655230883.db2.gz VOPWQKJGAXUHCN-WFASDCNBSA-N 1 0 382.302 2.866 20 0 GFADRO CSc1nnc(CNC(=O)N2CCN(Cc3ccccc3)C[C@H]2C)s1 ZINC000275442816 655236298 /nfs/dbraw/zinc/23/62/98/655236298.db2.gz QULPBUMNYNQGPH-CYBMUJFWSA-N 1 0 377.539 2.676 20 0 GFADRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)c1cc(=O)c2cc(Br)ccc2[nH]1 ZINC000115433806 655237307 /nfs/dbraw/zinc/23/73/07/655237307.db2.gz YZRCYHUXUMQDQW-LBPRGKRZSA-N 1 0 392.297 2.704 20 0 GFADRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)c1cc(Br)c2c(c1)OCCO2 ZINC000115442942 655237538 /nfs/dbraw/zinc/23/75/38/655237538.db2.gz KVGBNJXWAAWPLS-LBPRGKRZSA-N 1 0 383.286 2.634 20 0 GFADRO CSc1nnc(CNC(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)s1 ZINC000275619050 655244234 /nfs/dbraw/zinc/24/42/34/655244234.db2.gz OLQUQUGFWXWMGF-AWEZNQCLSA-N 1 0 377.539 2.896 20 0 GFADRO CCOc1c(Br)cc(C[N@H+](CCO)CCCOC)cc1OC ZINC000275840941 655253170 /nfs/dbraw/zinc/25/31/70/655253170.db2.gz GZOKPIZMEZBHMS-UHFFFAOYSA-N 1 0 376.291 2.687 20 0 GFADRO O=C(NC[C@H](O)c1cc(F)cc(Cl)c1)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000839748079 661104297 /nfs/dbraw/zinc/10/42/97/661104297.db2.gz WWBBXEMONXQZMV-SJORKVTESA-N 1 0 386.920 2.846 20 0 GFADRO CCO[C@@H]1C[C@]([NH3+])(C(=O)N[C@H]2CCOc3ccc(Br)cc32)C1(C)C ZINC000275870116 655254076 /nfs/dbraw/zinc/25/40/76/655254076.db2.gz ZUGSDFCLIGAGBO-JOQOYGCGSA-N 1 0 397.313 2.921 20 0 GFADRO CCOCCOc1ccc(Br)cc1C[NH2+]C[C@]1(O)CCSC1 ZINC000176750477 655254939 /nfs/dbraw/zinc/25/49/39/655254939.db2.gz AOQKUWKVLVUXSG-MRXNPFEDSA-N 1 0 390.343 2.822 20 0 GFADRO COCCOC1CC[NH+](CC(=O)N(C)Cc2ccccc2Br)CC1 ZINC000116886157 655255739 /nfs/dbraw/zinc/25/57/39/655255739.db2.gz ZZMOQQHPSHQZEN-UHFFFAOYSA-N 1 0 399.329 2.535 20 0 GFADRO COc1cc(Br)c(C[NH2+]C2CCN(c3cc(C)[nH]n3)CC2)cc1O ZINC000275959204 655256485 /nfs/dbraw/zinc/25/64/85/655256485.db2.gz KAUSKVMTYPGMIA-UHFFFAOYSA-N 1 0 395.301 2.953 20 0 GFADRO CCCn1cc(C[NH2+]CCCNC(=O)c2cccc(Br)c2)cn1 ZINC000116915740 655256946 /nfs/dbraw/zinc/25/69/46/655256946.db2.gz XWDPQGBDKROFIV-UHFFFAOYSA-N 1 0 379.302 2.965 20 0 GFADRO COc1ccc(Br)c(NC(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)c1 ZINC000176946134 655263179 /nfs/dbraw/zinc/26/31/79/655263179.db2.gz OQARNQQBPSTCGP-ZDUSSCGKSA-N 1 0 398.301 2.644 20 0 GFADRO CC[N@H+](C)C[C@H]1CCN(S(=O)(=O)c2cc(C)c(Br)s2)C1 ZINC000176955335 655263766 /nfs/dbraw/zinc/26/37/66/655263766.db2.gz LVSXOYGCBUKPCB-LLVKDONJSA-N 1 0 381.361 2.781 20 0 GFADRO COc1cc(C(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)cc(OC)c1Br ZINC000177035195 655265390 /nfs/dbraw/zinc/26/53/90/655265390.db2.gz WFXKBTHIXKTAGT-CMPLNLGQSA-N 1 0 383.286 2.821 20 0 GFADRO CC[C@@H]1C[N@H+](CC)CCN1C(=O)CCN1C(=S)N=NC1c1cccs1 ZINC000839786166 661106779 /nfs/dbraw/zinc/10/67/79/661106779.db2.gz MMSULUUVQCZOHJ-CYBMUJFWSA-N 1 0 379.555 2.628 20 0 GFADRO Cc1cccc(C(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)c1I ZINC000177090895 655268069 /nfs/dbraw/zinc/26/80/69/655268069.db2.gz RBVHGMHNUKTZLB-NWDGAFQWSA-N 1 0 384.261 2.955 20 0 GFADRO Cc1ccc(I)c(C(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c1 ZINC000177098882 655268445 /nfs/dbraw/zinc/26/84/45/655268445.db2.gz JCUHJRUFHNHNNQ-VXGBXAGGSA-N 1 0 384.261 2.955 20 0 GFADRO C[C@H](Oc1cc(Cl)cc(Cl)c1)C(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000177122160 655269269 /nfs/dbraw/zinc/26/92/69/655269269.db2.gz IQQHPFLOOXMSED-ZDUSSCGKSA-N 1 0 388.339 2.903 20 0 GFADRO C[NH+](C)C1CCN(CCNC(=O)c2cc(Cl)ccc2Br)CC1 ZINC000177138336 655269810 /nfs/dbraw/zinc/26/98/10/655269810.db2.gz OSMZBEMLLJJEFO-UHFFFAOYSA-N 1 0 388.737 2.858 20 0 GFADRO CCS(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)c1 ZINC000118322585 655274712 /nfs/dbraw/zinc/27/47/12/655274712.db2.gz RDQWDRBPXLOQIN-CQSZACIVSA-N 1 0 386.945 2.984 20 0 GFADRO Cc1ccc(NC(=O)C(=O)NC[C@@H](C)C[NH+]2CCCCC2)c(Br)c1 ZINC000118896132 655283095 /nfs/dbraw/zinc/28/30/95/655283095.db2.gz WIZHVLUEBYMDCP-CQSZACIVSA-N 1 0 396.329 2.934 20 0 GFADRO Cc1ccc([C@@H](C[NH2+][C@@H](C)Cn2cc(Br)cn2)N2CCOCC2)o1 ZINC000118953531 655284074 /nfs/dbraw/zinc/28/40/74/655284074.db2.gz VXYFIXKZJYLKLN-XJKSGUPXSA-N 1 0 397.317 2.599 20 0 GFADRO O=S(=O)(CC[NH2+]C1CCN(CC(F)(F)F)CC1)c1ccc(Cl)cc1 ZINC000177968401 655293510 /nfs/dbraw/zinc/29/35/10/655293510.db2.gz UNGUDOZOBADQDS-UHFFFAOYSA-N 1 0 384.851 2.730 20 0 GFADRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)Nc1cc(Br)cn(C)c1=O ZINC000177984047 655293603 /nfs/dbraw/zinc/29/36/03/655293603.db2.gz VZUSLKRXYRVRNM-FRRDWIJNSA-N 1 0 399.333 2.636 20 0 GFADRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(Br)c(F)c2)C1 ZINC000178009121 655295052 /nfs/dbraw/zinc/29/50/52/655295052.db2.gz SCIATOLOTMVMGX-PWSUYJOCSA-N 1 0 386.265 2.516 20 0 GFADRO Cc1ccc(NC(=O)C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)c(Br)c1 ZINC000178014809 655295617 /nfs/dbraw/zinc/29/56/17/655295617.db2.gz WSZKRWYURZTMQC-OLZOCXBDSA-N 1 0 382.302 2.685 20 0 GFADRO O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)C(=O)Nc1ccc(Cl)nc1 ZINC000119285070 655296966 /nfs/dbraw/zinc/29/69/66/655296966.db2.gz VXSQBXINQFODAW-ZDUSSCGKSA-N 1 0 378.885 2.688 20 0 GFADRO C[NH+](C)[C@H]1CCCN(S(=O)(=O)c2ccc(OCC(F)(F)F)cc2)CC1 ZINC000277016364 655298582 /nfs/dbraw/zinc/29/85/82/655298582.db2.gz MCMQNHUITOWZAZ-ZDUSSCGKSA-N 1 0 380.432 2.733 20 0 GFADRO CC(C)(C)[C@H]([NH3+])C(=O)N[C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000119322163 655298688 /nfs/dbraw/zinc/29/86/88/655298688.db2.gz GKCAJOZANVUVPO-ZYHUDNBSSA-N 1 0 378.826 2.822 20 0 GFADRO COc1c(Cl)cc(NC(=O)C(=O)N2CCC[C@H]([NH+](C)C)CC2)cc1Cl ZINC000277063557 655301119 /nfs/dbraw/zinc/30/11/19/655301119.db2.gz HINFGVGGUPJCEK-LBPRGKRZSA-N 1 0 388.295 2.883 20 0 GFADRO CCCN(CC[NH+](CC)CC)S(=O)(=O)c1nc(C)c(Br)s1 ZINC000119383864 655302022 /nfs/dbraw/zinc/30/20/22/655302022.db2.gz BFFTXTFOBGLIDM-UHFFFAOYSA-N 1 0 398.392 2.957 20 0 GFADRO C[C@H](NC(=O)NCc1cn2cc(Br)ccc2n1)C(C)(C)C[NH+](C)C ZINC000119408034 655303091 /nfs/dbraw/zinc/30/30/91/655303091.db2.gz HXBHQULTGKPMLS-LBPRGKRZSA-N 1 0 396.333 2.872 20 0 GFADRO C[C@@H]([NH3+])CCNC(=O)c1ccc(NC(=O)c2ccc(Br)o2)cc1 ZINC000178627778 655306310 /nfs/dbraw/zinc/30/63/10/655306310.db2.gz SBRVLHVAVYKRJV-SNVBAGLBSA-N 1 0 380.242 2.762 20 0 GFADRO [NH3+][C@@H]1CC[C@@H](C(=O)N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)C1 ZINC000178657272 655307137 /nfs/dbraw/zinc/30/71/37/655307137.db2.gz CEBVNFMFJLEDQQ-ZYHUDNBSSA-N 1 0 376.810 2.530 20 0 GFADRO C[NH+](C)[C@@H]1CCCN(C(=O)c2ccc(S(=O)(=O)C(F)(F)F)cc2)CC1 ZINC000277260648 655310096 /nfs/dbraw/zinc/31/00/96/655310096.db2.gz LIYHKZKRPMSHAR-CYBMUJFWSA-N 1 0 378.416 2.536 20 0 GFADRO C[NH+](C)C1(C(=O)NC[C@@H]2CCN(c3ccc(Br)cc3)C2)CCC1 ZINC000119651138 655310201 /nfs/dbraw/zinc/31/02/01/655310201.db2.gz ZCUQSFRXVVGNKU-AWEZNQCLSA-N 1 0 380.330 2.876 20 0 GFADRO Brc1cc(C[NH2+]C2CCN(c3cccnn3)CC2)cc2c1OCO2 ZINC000277374752 655315608 /nfs/dbraw/zinc/31/56/08/655315608.db2.gz CBLCSZKSQHMFLT-UHFFFAOYSA-N 1 0 391.269 2.726 20 0 GFADRO CC(=O)N(C)C1CC[NH+](C[C@@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000119810186 655316407 /nfs/dbraw/zinc/31/64/07/655316407.db2.gz SDJNWTUVLKORBM-OAHLLOKOSA-N 1 0 375.296 2.676 20 0 GFADRO CC[N@@H+]1CC[C@@H](CNC(=O)c2cc(I)c(F)cc2F)C1 ZINC000119834321 655317496 /nfs/dbraw/zinc/31/74/96/655317496.db2.gz SCXSUOFCKWSWDT-VIFPVBQESA-N 1 0 394.203 2.641 20 0 GFADRO CC(=O)N(C)C1CC[NH+](C[C@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000119861161 655318778 /nfs/dbraw/zinc/31/87/78/655318778.db2.gz SJPBQXWFUKWLIK-AWEZNQCLSA-N 1 0 375.296 2.676 20 0 GFADRO CC(C)(C)OC(=O)NCCC[NH2+]Cc1ccc(S(C)(=O)=O)c(Cl)c1 ZINC000278120230 655324837 /nfs/dbraw/zinc/32/48/37/655324837.db2.gz AXWYBRQWYNDKIA-UHFFFAOYSA-N 1 0 376.906 2.748 20 0 GFADRO Cc1nc(Br)ccc1NC(=O)N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC000278596714 655325398 /nfs/dbraw/zinc/32/53/98/655325398.db2.gz GQZZBUJPNHWNND-LBPRGKRZSA-N 1 0 397.317 2.870 20 0 GFADRO CC[NH+]1CCN(CC(=O)Nc2ncc(Cc3cccc(Cl)c3)s2)CC1 ZINC000120049904 655325957 /nfs/dbraw/zinc/32/59/57/655325957.db2.gz MPIDEQKUODGRAM-UHFFFAOYSA-N 1 0 378.929 2.963 20 0 GFADRO O=C1C[C@]2(CC[N@@H+](Cc3ccnc(-c4ccc(Br)cc4)n3)C2)CN1 ZINC000278905403 655326690 /nfs/dbraw/zinc/32/66/90/655326690.db2.gz PVIQATMYXYCSGL-GOSISDBHSA-N 1 0 387.281 2.618 20 0 GFADRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3c[nH]c4ncc(Br)cc34)CC[C@@H]21 ZINC000280981309 655331598 /nfs/dbraw/zinc/33/15/98/655331598.db2.gz AKTGTPRIDAGPBW-NHYWBVRUSA-N 1 0 377.286 2.882 20 0 GFADRO CC[N@H+](CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1)[C@H](C)C(C)C ZINC000120250276 655332745 /nfs/dbraw/zinc/33/27/45/655332745.db2.gz CZGMPXFSHRCABN-CYBMUJFWSA-N 1 0 389.949 2.895 20 0 GFADRO Cn1cc(Cl)cc1C[N@H+](C)CCC(=O)Nc1ccc(C(N)=O)c(Cl)c1 ZINC000120273214 655333608 /nfs/dbraw/zinc/33/36/08/655333608.db2.gz OCMKPASCIZXTNG-UHFFFAOYSA-N 1 0 383.279 2.891 20 0 GFADRO CCCC1(C[NH2+][C@@H](C)c2cccc(N(S(C)(=O)=O)S(C)(=O)=O)c2)CC1 ZINC000181318115 655335112 /nfs/dbraw/zinc/33/51/12/655335112.db2.gz JZMAGGGAWOLBGO-AWEZNQCLSA-N 1 0 388.555 2.643 20 0 GFADRO Cc1c(Br)cccc1NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000120470133 655336549 /nfs/dbraw/zinc/33/65/49/655336549.db2.gz JRDUKSHMYYUZKM-DGCLKSJQSA-N 1 0 382.302 2.637 20 0 GFADRO Cc1cc(Br)ccc1C(=O)NC[C@@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000120473241 655336620 /nfs/dbraw/zinc/33/66/20/655336620.db2.gz FPYKMZVPCKLVKW-KRWDZBQOSA-N 1 0 382.346 2.759 20 0 GFADRO O=C1[C@H](c2cccc(Br)c2)CCN1CN1CC[C@@H]([NH+]2CCCC2)C1 ZINC000839988111 661122680 /nfs/dbraw/zinc/12/26/80/661122680.db2.gz UBLKOAVBPZZOOL-MSOLQXFVSA-N 1 0 392.341 2.893 20 0 GFADRO O=C(c1cnn(-c2ccc(Br)cc2)c1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000289315175 655346535 /nfs/dbraw/zinc/34/65/35/655346535.db2.gz UCGXPZXCYJWRFV-GOSISDBHSA-N 1 0 389.297 2.851 20 0 GFADRO CC(C)[C@@H]1C[N@H+](C)CCN1CN1CC[C@@H](c2cccc(Br)c2)C1=O ZINC000840007626 661123928 /nfs/dbraw/zinc/12/39/28/661123928.db2.gz PIQZPJIZVLTYRD-ROUUACIJSA-N 1 0 394.357 2.995 20 0 GFADRO COc1ccc(C(=O)NC[C@H]2CCC[N@H+](CC(C)C)C2)nc1Br ZINC000183297805 655350462 /nfs/dbraw/zinc/35/04/62/655350462.db2.gz ZTWONUYCYXOAGU-CYBMUJFWSA-N 1 0 384.318 2.951 20 0 GFADRO COc1cc(/C=C/C(=O)NC[C@H]2CCC[N@H+](C)C2)cc(Br)c1O ZINC000183589549 655352364 /nfs/dbraw/zinc/35/23/64/655352364.db2.gz CKRXEDNXWQSYJE-URWSZGRFSA-N 1 0 383.286 2.635 20 0 GFADRO CC[N@H+](C)C[C@@H]1CCN(CN2CC[C@@H](c3cccc(Br)c3)C2=O)C1 ZINC000840017648 661124732 /nfs/dbraw/zinc/12/47/32/661124732.db2.gz ZHMWMACJVLYKPJ-YJBOKZPZSA-N 1 0 394.357 2.996 20 0 GFADRO COC(=O)c1cc(S(=O)(=O)NCC(C)(C)C[NH+](C)C)c(Cl)cc1Cl ZINC000184097001 655355201 /nfs/dbraw/zinc/35/52/01/655355201.db2.gz JQJQXUVUNAJQNQ-UHFFFAOYSA-N 1 0 397.324 2.646 20 0 GFADRO CC(C)[NH+]1CCC(Nc2cnn(-c3ccccn3)c(=O)c2Br)CC1 ZINC000292922467 655357167 /nfs/dbraw/zinc/35/71/67/655357167.db2.gz ZMLWFJILBZRUGG-UHFFFAOYSA-N 1 0 392.301 2.675 20 0 GFADRO O[C@H](COc1ccc(Cl)cc1Cl)C[NH+]1CCC2(CC1)OCCCO2 ZINC000293012876 655358443 /nfs/dbraw/zinc/35/84/43/655358443.db2.gz OCDUGKQVTNVIBU-AWEZNQCLSA-N 1 0 376.280 2.962 20 0 GFADRO COC(=O)COc1ccc(CN(C)Cn2nc(C)c(Br)c2C)cc1 ZINC000184894038 655360239 /nfs/dbraw/zinc/36/02/39/655360239.db2.gz WTVOPAAKOWUDPR-UHFFFAOYSA-N 1 0 396.285 2.904 20 0 GFADRO CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](C)c2cc(Br)cc(F)c2[O-])CC1 ZINC000185022154 655361854 /nfs/dbraw/zinc/36/18/54/655361854.db2.gz QQHBOTSXFKEBEA-OLZOCXBDSA-N 1 0 388.325 2.970 20 0 GFADRO C[C@@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1cc(Br)cc(F)c1[O-] ZINC000185648002 655365372 /nfs/dbraw/zinc/36/53/72/655365372.db2.gz UUVXSINFBNYHKE-GFCCVEGCSA-N 1 0 388.325 2.970 20 0 GFADRO CCOC(=O)N1CC[C@@H]([NH2+]Cc2cc(Br)c3c(c2)OCCO3)C1 ZINC000185782214 655366303 /nfs/dbraw/zinc/36/63/03/655366303.db2.gz PZTIBSAWQGOPDX-GFCCVEGCSA-N 1 0 385.258 2.541 20 0 GFADRO C[N@@H+]1CC[C@]2(CCN(CN3CC[C@H](c4cccc(Br)c4)C3=O)C2)C1 ZINC000840075281 661129508 /nfs/dbraw/zinc/12/95/08/661129508.db2.gz LIMZYEBSMJCJHK-MJGOQNOKSA-N 1 0 392.341 2.750 20 0 GFADRO CCO[C@@H]1C[C@]([NH3+])(C(=O)NC[C@H](O)c2ccc(Cl)cc2Cl)C1(C)C ZINC000187754109 655376410 /nfs/dbraw/zinc/37/64/10/655376410.db2.gz WBSUMJXFMOMQNL-VBQJREDUSA-N 1 0 375.296 2.676 20 0 GFADRO COc1c(Br)cc(Cl)cc1S(=O)(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000320638100 655382144 /nfs/dbraw/zinc/38/21/44/655382144.db2.gz DBCXMEHYSTTWHJ-HTQZYQBOSA-N 1 0 385.711 2.515 20 0 GFADRO COc1c(Br)cc(Cl)cc1S(=O)(=O)N[C@@H]1CCC[NH2+][C@@H]1C ZINC000189317818 655386032 /nfs/dbraw/zinc/38/60/32/655386032.db2.gz KEHKLOVQLGEZNJ-LDYMZIIASA-N 1 0 397.722 2.530 20 0 GFADRO CC[C@@]1(c2ccc(Cl)cc2)NC(=O)N(C[C@@]2([NH+](C)C)CCSC2)C1=O ZINC000348472823 655388378 /nfs/dbraw/zinc/38/83/78/655388378.db2.gz DZMJSZIWVQFGDF-ROUUACIJSA-N 1 0 381.929 2.934 20 0 GFADRO CC1CC[NH+](CCN2C(=O)CN(Cc3cccc(Br)c3)C2=O)CC1 ZINC000349238636 655388719 /nfs/dbraw/zinc/38/87/19/655388719.db2.gz YEXSQDUZYYDALM-UHFFFAOYSA-N 1 0 394.313 2.945 20 0 GFADRO C#CC[NH+]1CCC(C(=O)N(CCOC)Cc2sccc2Br)CC1 ZINC000190151645 655390168 /nfs/dbraw/zinc/39/01/68/655390168.db2.gz IACZTNKRTZZKRY-UHFFFAOYSA-N 1 0 399.354 2.831 20 0 GFADRO CC(C)[C@@H]1C[N@H+](Cn2nc(Br)c(=O)c3ccccc32)CCCO1 ZINC000840096389 661132387 /nfs/dbraw/zinc/13/23/87/661132387.db2.gz PAJRLYWOMXGJSY-HNNXBMFYSA-N 1 0 380.286 2.863 20 0 GFADRO Cc1c(Br)cc(-c2nc(-c3ccn4c[nH+]cc4c3)no2)c(=O)n1C ZINC000350308518 655390775 /nfs/dbraw/zinc/39/07/75/655390775.db2.gz LYPZXWRKFKZESN-UHFFFAOYSA-N 1 0 386.209 2.821 20 0 GFADRO C[NH+]1CCC(CNC(=O)[C@@H]2CCCN(c3ccc(Br)cn3)C2)CC1 ZINC000363205234 655391540 /nfs/dbraw/zinc/39/15/40/655391540.db2.gz OTTAYVROTLPFRR-OAHLLOKOSA-N 1 0 395.345 2.519 20 0 GFADRO O=S1(=O)CC[C@H]([NH2+]C2CCN(Cc3cccc(Cl)c3Cl)CC2)C1 ZINC000365232504 655392344 /nfs/dbraw/zinc/39/23/44/655392344.db2.gz DYWCEYPEKCHMGR-AWEZNQCLSA-N 1 0 377.337 2.735 20 0 GFADRO Cc1nc(SCC(=O)NC[C@@H]2CC[N@@H+](C)[C@@H]2c2cccc(Cl)c2)n[nH]1 ZINC000365697479 655395001 /nfs/dbraw/zinc/39/50/01/655395001.db2.gz YEZZWPWQFQYICJ-XJKSGUPXSA-N 1 0 379.917 2.668 20 0 GFADRO C[N@@H+]1CCC[C@H](CNC(=O)c2nc(Br)ccc2Br)C1 ZINC000191483650 655399054 /nfs/dbraw/zinc/39/90/54/655399054.db2.gz VUGMVJLXXLHSAS-SECBINFHSA-N 1 0 391.107 2.678 20 0 GFADRO O=C(NCC[C@H]1CCC[NH2+]C1)N[C@H](CCO)c1ccccc1Br ZINC000418337157 655405587 /nfs/dbraw/zinc/40/55/87/655405587.db2.gz BFXQOABRHIMZND-CZUORRHYSA-N 1 0 384.318 2.562 20 0 GFADRO O=S(=O)(c1cc(Cl)ccc1Br)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000420478639 655407626 /nfs/dbraw/zinc/40/76/26/655407626.db2.gz XOGAZAZFDUDLJR-ZDUSSCGKSA-N 1 0 379.707 2.619 20 0 GFADRO C[NH+](C)[C@]1(CNS(=O)(=O)c2ccc(Cl)c(F)c2Cl)CCSC1 ZINC000473853290 655414946 /nfs/dbraw/zinc/41/49/46/655414946.db2.gz HPYGEJGGUIQOFS-ZDUSSCGKSA-N 1 0 387.329 2.848 20 0 GFADRO OC1(CC[NH2+]Cc2cnn(-c3ccc(Br)cc3)c2)CCOCC1 ZINC000512896035 655418020 /nfs/dbraw/zinc/41/80/20/655418020.db2.gz SQWKKICAKSHTOH-UHFFFAOYSA-N 1 0 380.286 2.656 20 0 GFADRO C[C@H](CNC(=O)c1ccc(I)c(F)c1)C[NH+]1CCCC1 ZINC000517817175 655418796 /nfs/dbraw/zinc/41/87/96/655418796.db2.gz AUHOGLZICGEOLE-LLVKDONJSA-N 1 0 390.240 2.892 20 0 GFADRO CN(C(=O)c1ccc(F)cc1I)C1CCC([NH3+])CC1 ZINC000226288462 655422610 /nfs/dbraw/zinc/42/26/10/655422610.db2.gz KOABVDJYEFCHCN-UHFFFAOYSA-N 1 0 376.213 2.772 20 0 GFADRO COc1ccc(C[NH2+][C@H]2CCO[C@@H](c3ccnn3C)C2)c(Br)c1O ZINC000562672196 655423869 /nfs/dbraw/zinc/42/38/69/655423869.db2.gz OSLXEQTYDZGFIA-SWLSCSKDSA-N 1 0 396.285 2.907 20 0 GFADRO O[C@H](C[NH2+][C@H]1CCCC12CC2)COc1ccc(I)cc1 ZINC000575073040 655435124 /nfs/dbraw/zinc/43/51/24/655435124.db2.gz OVNSEQAVZTXWMM-HIFRSBDPSA-N 1 0 387.261 2.953 20 0 GFADRO [NH3+]C[C@@H]1CCCC[C@H]1NS(=O)(=O)c1c(Cl)cccc1Br ZINC000261672266 655441722 /nfs/dbraw/zinc/44/17/22/655441722.db2.gz FXRWIJJTWKBHGA-JOYOIKCWSA-N 1 0 381.723 2.898 20 0 GFADRO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)N1C[C@@H](C[NH3+])C[C@H]1C ZINC000261789782 655442366 /nfs/dbraw/zinc/44/23/66/655442366.db2.gz KTPOSKNMJGLKJD-MWLCHTKSSA-N 1 0 379.254 2.673 20 0 GFADRO O=C(c1cc(=O)[nH]c2ccc(Br)cc21)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000261855771 655442654 /nfs/dbraw/zinc/44/26/54/655442654.db2.gz QXHOKHGRBHMAHW-TXEJJXNPSA-N 1 0 390.281 2.775 20 0 GFADRO O=C(NCC1C[NH2+]C1)[C@@H](Oc1ccc(Br)cc1)c1ccccc1 ZINC000262029046 655443567 /nfs/dbraw/zinc/44/35/67/655443567.db2.gz NVSAFKJENRNADF-KRWDZBQOSA-N 1 0 375.266 2.905 20 0 GFADRO Cc1cc(Br)cc(S(=O)(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000576399712 655446796 /nfs/dbraw/zinc/44/67/96/655446796.db2.gz RTCHLYHEZYPSHN-ZIAGYGMSSA-N 1 0 387.343 2.768 20 0 GFADRO Cn1nc(Br)c2c1ncnc2NCC[N@@H+]1CCc2sccc2C1 ZINC000263967739 655455227 /nfs/dbraw/zinc/45/52/27/655455227.db2.gz SWXUMOQZULJTQF-UHFFFAOYSA-N 1 0 393.314 2.658 20 0 GFADRO CN1C[C@@H]([N@H+](C)Cc2ccnc(-c3ccc(Br)cc3)n2)CCC1=O ZINC000576954264 655455272 /nfs/dbraw/zinc/45/52/72/655455272.db2.gz HHAQUAMTHDZROY-INIZCTEOSA-N 1 0 389.297 2.959 20 0 GFADRO O[C@@H](C[NH2+]CC[C@@H]1CCCCO1)COc1cc(F)cc(Br)c1 ZINC000577365723 655457878 /nfs/dbraw/zinc/45/78/78/655457878.db2.gz LSVYQTUHUZZOCU-GJZGRUSLSA-N 1 0 376.266 2.877 20 0 GFADRO C[C@@H]1CC[NH2+][C@@H](C)[C@H]1NCc1nc(Cc2cccc(Br)c2)no1 ZINC000577370799 655458024 /nfs/dbraw/zinc/45/80/24/655458024.db2.gz GONHILWFDICIDK-PEBVRCNWSA-N 1 0 379.302 2.899 20 0 GFADRO CN(C)S(=O)(=O)N1CCCC[C@H]1C[NH2+][C@H]1CCSc2ccc(F)cc21 ZINC000577437649 655459392 /nfs/dbraw/zinc/45/93/92/655459392.db2.gz AMCCBUBHCXHINB-HOCLYGCPSA-N 1 0 387.546 2.613 20 0 GFADRO Cc1nc2scc(C3CC3)n2c1C[NH2+][C@H]1CCCC[C@@H]1NS(C)(=O)=O ZINC000577477375 655460566 /nfs/dbraw/zinc/46/05/66/655460566.db2.gz UFQFDYKQMUDUGL-KBPBESRZSA-N 1 0 382.555 2.532 20 0 GFADRO CCNC(=O)C1(C[NH2+]C[C@@H](O)COc2cc(Cl)ccc2Cl)CCC1 ZINC000577484741 655460688 /nfs/dbraw/zinc/46/06/88/655460688.db2.gz VKCNZFNYHQUUTR-CYBMUJFWSA-N 1 0 375.296 2.629 20 0 GFADRO C[NH+](C)[C@@H]1CCCN(C(=O)c2cnn(-c3ccc(Br)cc3)c2)C1 ZINC000264355727 655461635 /nfs/dbraw/zinc/46/16/35/655461635.db2.gz AIECMVPZWKEHKK-MRXNPFEDSA-N 1 0 377.286 2.801 20 0 GFADRO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)c2sccc2Br)CC1 ZINC000264377355 655462189 /nfs/dbraw/zinc/46/21/89/655462189.db2.gz DPTYFSJKCGEOPF-ZDUSSCGKSA-N 1 0 386.359 2.753 20 0 GFADRO C[C@H](NC(=O)c1ncc(Br)cc1Br)[C@@H]1CCC[NH2+]C1 ZINC000577621517 655463107 /nfs/dbraw/zinc/46/31/07/655463107.db2.gz PWQYMSPJGKXEFE-DTWKUNHWSA-N 1 0 391.107 2.725 20 0 GFADRO O=C(NC[C@@H]1CCC[NH2+]1)Nc1ccnn1Cc1ccc(Br)cc1 ZINC000577829542 655467979 /nfs/dbraw/zinc/46/79/79/655467979.db2.gz XEXBYOSANMLPKL-AWEZNQCLSA-N 1 0 378.274 2.567 20 0 GFADRO CSC[C@@H](O)C[NH2+][C@@H]1CCCN(c2ccc(Br)c(C)c2)C1=O ZINC000577842905 655468393 /nfs/dbraw/zinc/46/83/93/655468393.db2.gz MPQNGMMFWSSLAV-DZGCQCFKSA-N 1 0 387.343 2.566 20 0 GFADRO COc1cc(Br)ccc1[C@H](C)NC(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000578235506 655474848 /nfs/dbraw/zinc/47/48/48/655474848.db2.gz INMLTMFWLVXGAX-WDEREUQCSA-N 1 0 393.285 2.749 20 0 GFADRO O=C(CNCC(F)(F)F)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000264960600 655474849 /nfs/dbraw/zinc/47/48/49/655474849.db2.gz ZMNLARCUJACZII-UHFFFAOYSA-N 1 0 377.838 2.820 20 0 GFADRO CCn1c(SCC(=O)N2CC[C@@H](C[NH+](C)C)C2)nnc1-c1cccs1 ZINC000265012573 655475959 /nfs/dbraw/zinc/47/59/59/655475959.db2.gz QVYQOMFNIKISCO-ZDUSSCGKSA-N 1 0 379.555 2.529 20 0 GFADRO Cc1ccc(O[C@@H](C)C(=O)NCC2([NH+](C)C)CCOCC2)c(Br)c1 ZINC000265017805 655476075 /nfs/dbraw/zinc/47/60/75/655476075.db2.gz LRXYETFLDSOYPO-AWEZNQCLSA-N 1 0 399.329 2.752 20 0 GFADRO O=C(C[C@@H]1CSCC[NH2+]1)NCCc1cc(Cl)ccc1Br ZINC000578315470 655476514 /nfs/dbraw/zinc/47/65/14/655476514.db2.gz STQQLBYQPQAMTR-GFCCVEGCSA-N 1 0 377.735 2.856 20 0 GFADRO C[C@H]([NH2+]C[C@@H](O)COc1ccc(Br)cc1)[C@@H](O)Cc1ccccc1 ZINC000578359364 655477191 /nfs/dbraw/zinc/47/71/91/655477191.db2.gz WHFNQNQXAATHJO-YJLNNSPDSA-N 1 0 394.309 2.771 20 0 GFADRO COc1cc(Br)c(C[NH2+][C@H]2CCO[C@@H](c3nccn3C)C2)cc1O ZINC000578483646 655480013 /nfs/dbraw/zinc/48/00/13/655480013.db2.gz IDSARFGRTJQCEB-BLLLJJGKSA-N 1 0 396.285 2.907 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+][C@@H]2CCOC3(CCSCC3)C2)cc1Cl ZINC000578485509 655480173 /nfs/dbraw/zinc/48/01/73/655480173.db2.gz WHXVCGFNVBZTGB-CYBMUJFWSA-N 1 0 390.958 2.522 20 0 GFADRO COc1ccc(Br)cc1CN(C)C(=O)COC1CCC([NH3+])CC1 ZINC000578501235 655480599 /nfs/dbraw/zinc/48/05/99/655480599.db2.gz CGEMNDXGDGNWGP-UHFFFAOYSA-N 1 0 385.302 2.703 20 0 GFADRO COCC[C@@]1([NH2+]CCS(=O)(=O)c2cc(Cl)ccc2Cl)CCOC1 ZINC000578616278 655482967 /nfs/dbraw/zinc/48/29/67/655482967.db2.gz YYKGCHBNIPGSKK-OAHLLOKOSA-N 1 0 382.309 2.552 20 0 GFADRO O=C(C1CC1)N1CCC([NH2+]C[C@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000578896018 655488804 /nfs/dbraw/zinc/48/88/04/655488804.db2.gz KDQGOUZWZXBKMA-AWEZNQCLSA-N 1 0 387.307 2.724 20 0 GFADRO O=C(CCc1nc2cc(Cl)ccc2s1)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000578956219 655490077 /nfs/dbraw/zinc/49/00/77/655490077.db2.gz XJODFUFOEQVOPH-AWEZNQCLSA-N 1 0 381.929 2.845 20 0 GFADRO CCC[C@@H]1C[NH2+]CCN1C(=O)c1scc(C)c1I ZINC000579005796 655491484 /nfs/dbraw/zinc/49/14/84/655491484.db2.gz QLSZPHSPUGLLSQ-SNVBAGLBSA-N 1 0 378.279 2.875 20 0 GFADRO C[C@@H](CCc1ccc(Br)cc1)NC(=O)NCC1(O)CC[NH+](C)CC1 ZINC000265860640 655492137 /nfs/dbraw/zinc/49/21/37/655492137.db2.gz LNGHUKMAJOIVAW-AWEZNQCLSA-N 1 0 398.345 2.526 20 0 GFADRO C[NH+]1CCN(c2ccc(Br)cc2NC(=O)c2ccncc2F)CC1 ZINC000265893041 655492861 /nfs/dbraw/zinc/49/28/61/655492861.db2.gz ZTPASPNHAOIHCJ-UHFFFAOYSA-N 1 0 393.260 2.987 20 0 GFADRO C[N@@H+]1CCC[C@]2(CCN(C(=O)NCCOc3ncc(Cl)cc3Cl)C2)C1 ZINC000579443418 655499768 /nfs/dbraw/zinc/49/97/68/655499768.db2.gz WOZIIZFYMYIMAV-KRWDZBQOSA-N 1 0 387.311 2.895 20 0 GFADRO CO[C@H]1C[C@H]([N@H+](C)Cc2cc(=O)n3cc(Br)ccc3n2)C12CCC2 ZINC000579556052 655501381 /nfs/dbraw/zinc/50/13/81/655501381.db2.gz GVEHGUDHDIRABY-GJZGRUSLSA-N 1 0 392.297 2.846 20 0 GFADRO Cn1cc(C[NH2+]CC[C@H]2CCN(C(=O)OC(C)(C)C)C2)c(Br)n1 ZINC000712461300 655522708 /nfs/dbraw/zinc/52/27/08/655522708.db2.gz HGEFXLIPHVEZEF-LBPRGKRZSA-N 1 0 387.322 2.919 20 0 GFADRO [NH3+]CCN(CC(F)(F)F)S(=O)(=O)c1c(Cl)cccc1Br ZINC000713325379 655522800 /nfs/dbraw/zinc/52/28/00/655522800.db2.gz SBWVECXMSSMZMG-UHFFFAOYSA-N 1 0 395.628 2.614 20 0 GFADRO C[C@@H]1CN(S(=O)(=O)c2c(Cl)cccc2Br)C[C@H]1CC[NH3+] ZINC000723901627 655525690 /nfs/dbraw/zinc/52/56/90/655525690.db2.gz JDUBYBJKDJIMDU-NXEZZACHSA-N 1 0 381.723 2.708 20 0 GFADRO C[C@@H](CC[NH+](C)C)NC(=O)N1CCO[C@H](c2ccccc2Br)C1 ZINC000726245876 655532370 /nfs/dbraw/zinc/53/23/70/655532370.db2.gz CDBDFWLXTSZGTH-BBRMVZONSA-N 1 0 384.318 2.872 20 0 GFADRO C[NH+](C)CC(C)(C)CNC(=S)Nc1ccc(NS(C)(=O)=O)c(Cl)c1 ZINC000727071150 655541258 /nfs/dbraw/zinc/54/12/58/655541258.db2.gz BYWMLBKIRATGGI-UHFFFAOYSA-N 1 0 392.978 2.586 20 0 GFADRO CC[NH+](CC)[C@H](CNC(=S)NCC(=O)NC(C)C)c1ccccc1Cl ZINC000727271531 655543728 /nfs/dbraw/zinc/54/37/28/655543728.db2.gz CJVDHIWJZOQSOI-MRXNPFEDSA-N 1 0 384.977 2.712 20 0 GFADRO Cn1nc(Br)c2c1ncnc2N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000728049294 655551895 /nfs/dbraw/zinc/55/18/95/655551895.db2.gz MVUWYMGISOYAEO-ZDUSSCGKSA-N 1 0 387.285 2.812 20 0 GFADRO C[NH+](C)[C@@H](CNc1ccc(S(N)(=O)=O)c2cccnc12)c1cccs1 ZINC000728152281 655553388 /nfs/dbraw/zinc/55/33/88/655553388.db2.gz BRRYVCSYWAXBFP-AWEZNQCLSA-N 1 0 376.507 2.659 20 0 GFADRO Cc1n[nH]c(C(=O)NCc2ccc(OCCC[NH+](C)C)cc2)c1Br ZINC000728553381 655556256 /nfs/dbraw/zinc/55/62/56/655556256.db2.gz YCXFOBONEUZVPR-UHFFFAOYSA-N 1 0 395.301 2.741 20 0 GFADRO C[NH+](C)CCOc1ccc(CCNC(=S)NCCc2cccs2)cc1 ZINC000729163234 655562739 /nfs/dbraw/zinc/56/27/39/655562739.db2.gz QNOOXPOCFYLOBD-UHFFFAOYSA-N 1 0 377.579 2.938 20 0 GFADRO CCOc1ccc(Br)cc1NC(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000729568870 655565862 /nfs/dbraw/zinc/56/58/62/655565862.db2.gz GMAQNHGMFFOXDO-UONOGXRCSA-N 1 0 398.301 2.833 20 0 GFADRO CCOc1ccc(Br)cc1NC(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000729568871 655565935 /nfs/dbraw/zinc/56/59/35/655565935.db2.gz GMAQNHGMFFOXDO-ZIAGYGMSSA-N 1 0 398.301 2.833 20 0 GFADRO CN([C@@H]1CC[N@@H+](C2CC2)C1)S(=O)(=O)/C=C\c1ccccc1Br ZINC000732226552 655593493 /nfs/dbraw/zinc/59/34/93/655593493.db2.gz LIADXERYIIYZFI-ZHUYAKLQSA-N 1 0 385.327 2.918 20 0 GFADRO COc1ccc(Br)c(C(=O)NCCC[NH2+]CC2(O)CCCCC2)c1 ZINC000732918556 655604906 /nfs/dbraw/zinc/60/49/06/655604906.db2.gz NQYPWYFEAVDULJ-UHFFFAOYSA-N 1 0 399.329 2.862 20 0 GFADRO Cc1c(C(=O)N[C@@H](C[NH+](C)C)C(C)C)nnn1-c1cccc(Br)c1 ZINC000733165386 655608551 /nfs/dbraw/zinc/60/85/51/655608551.db2.gz IOKFAEVFDZAHPQ-HNNXBMFYSA-N 1 0 394.317 2.654 20 0 GFADRO CC[C@H](NC(=S)NC1CC[NH+](CCC(=O)N(C)C)CC1)c1cccs1 ZINC000734380448 655630080 /nfs/dbraw/zinc/63/00/80/655630080.db2.gz OHGBOHKIRSQRCC-HNNXBMFYSA-N 1 0 382.599 2.606 20 0 GFADRO CC[C@H](Cc1cccc(Br)c1)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000735272049 655643574 /nfs/dbraw/zinc/64/35/74/655643574.db2.gz OWYBAEMATNHONU-BPQIPLTHSA-N 1 0 395.341 2.997 20 0 GFADRO Cn1ccnc1[C@](O)(CC[NH2+]Cc1occc1Br)C(F)(F)F ZINC000735324505 655645325 /nfs/dbraw/zinc/64/53/25/655645325.db2.gz OBFFXKBQBHNRMA-GFCCVEGCSA-N 1 0 382.180 2.705 20 0 GFADRO S=C(NCCSc1ccccc1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000735985600 655656741 /nfs/dbraw/zinc/65/67/41/655656741.db2.gz WRWNSPQWPGDNFV-UHFFFAOYSA-N 1 0 379.595 2.697 20 0 GFADRO CC[C@H](C[NH+]1CCCC1)NC(=O)/C=C/c1ccc(I)o1 ZINC000736101141 655659045 /nfs/dbraw/zinc/65/90/45/655659045.db2.gz HKZXGNFQZCOVOI-WAFBPQNNSA-N 1 0 388.249 2.888 20 0 GFADRO COCCC[N@H+](C)CCNC(=S)NCCc1ccc(Cl)cc1Cl ZINC000741503950 655706501 /nfs/dbraw/zinc/70/65/01/655706501.db2.gz ZOHMVLPWLBKVLY-UHFFFAOYSA-N 1 0 378.369 2.968 20 0 GFADRO O=S(=O)(/C=C/c1ccccc1Br)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000742274572 655713508 /nfs/dbraw/zinc/71/35/08/655713508.db2.gz DFSQSUKGGZBCBB-FROQITRMSA-N 1 0 385.327 2.824 20 0 GFADRO CC[NH+](CC)C[C@H]1CCN(CN2c3cc(Br)ccc3C(=O)C2=O)C1 ZINC000743388882 655728566 /nfs/dbraw/zinc/72/85/66/655728566.db2.gz SPDCVWNMSUUWLF-CYBMUJFWSA-N 1 0 394.313 2.600 20 0 GFADRO COC(=O)c1ccc(Cl)c(S(=O)(=O)NCCC[NH+](C(C)C)C(C)C)c1 ZINC000746054169 655758035 /nfs/dbraw/zinc/75/80/35/655758035.db2.gz YGUMVCJDLPVVOV-UHFFFAOYSA-N 1 0 390.933 2.914 20 0 GFADRO Cc1cc(Br)ccc1SCC(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000747230822 655774646 /nfs/dbraw/zinc/77/46/46/655774646.db2.gz AHRXUTCZEPXVDI-HUUCEWRRSA-N 1 0 399.354 2.829 20 0 GFADRO O=C(CSCc1ccc(Br)cc1)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000747236429 655774857 /nfs/dbraw/zinc/77/48/57/655774857.db2.gz MTIADOHPHZNIQE-CVEARBPZSA-N 1 0 399.354 2.662 20 0 GFADRO O=C(NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1)C(F)(F)C(F)F ZINC000749382287 655804028 /nfs/dbraw/zinc/80/40/28/655804028.db2.gz NCMCYFMOAYSNMH-UHFFFAOYSA-N 1 0 381.801 2.869 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CC2)C1 ZINC000749445679 655805126 /nfs/dbraw/zinc/80/51/26/655805126.db2.gz IRDZXMLLVDVBRT-LSDHHAIUSA-N 1 0 384.929 2.635 20 0 GFADRO Cn1cc(Cl)c(CNC(=S)NC2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000840792511 661188472 /nfs/dbraw/zinc/18/84/72/661188472.db2.gz IBCYYJBGTKDMQS-UHFFFAOYSA-N 1 0 377.945 2.702 20 0 GFADRO Cc1cc(N2CCC(C(=O)Nc3ccc(Br)cc3)CC2)nc(N)[nH+]1 ZINC000749891878 655808616 /nfs/dbraw/zinc/80/86/16/655808616.db2.gz HOSHEAOMMLPEFT-UHFFFAOYSA-N 1 0 390.285 2.985 20 0 GFADRO CN(C[C@@H]1CCC[N@H+](C)C1)S(=O)(=O)c1cc2ccc(Cl)nc2cc1F ZINC000750164408 655812089 /nfs/dbraw/zinc/81/20/89/655812089.db2.gz UNJLVCZDUNTUFX-GFCCVEGCSA-N 1 0 385.892 2.990 20 0 GFADRO C[NH+]1CCC2(CCN2C(=O)c2cccc(F)c2I)CC1 ZINC000750536584 655814783 /nfs/dbraw/zinc/81/47/83/655814783.db2.gz DNNPUZLAJVDCJN-UHFFFAOYSA-N 1 0 388.224 2.741 20 0 GFADRO Cc1ccc([C@@H](O)C[NH2+]CCS(=O)(=O)c2cccc(Br)c2)cc1 ZINC000751044761 655820806 /nfs/dbraw/zinc/82/08/06/655820806.db2.gz WAVVCONKIWGNAG-KRWDZBQOSA-N 1 0 398.322 2.854 20 0 GFADRO COC(=O)c1ccc(OCC[NH2+]C[C@H](O)c2ccccc2Br)cc1 ZINC000751572363 655831117 /nfs/dbraw/zinc/83/11/17/655831117.db2.gz BHFVFQJNOVHDAO-KRWDZBQOSA-N 1 0 394.265 2.938 20 0 GFADRO C[C@H](NC(=S)NCC(C)(C)C[NH+](C)C)[C@@H](O)c1c(F)cccc1Cl ZINC000751898977 655835808 /nfs/dbraw/zinc/83/58/08/655835808.db2.gz OJOIPKUAXSEZRM-XHDPSFHLSA-N 1 0 375.941 2.953 20 0 GFADRO C[N@H+](C[C@@H](O)c1cccc(Br)c1)CC(C)(C)CN1CCOCC1 ZINC000752086654 655839389 /nfs/dbraw/zinc/83/93/89/655839389.db2.gz OCIDOCOPSJZWPE-QGZVFWFLSA-N 1 0 385.346 2.773 20 0 GFADRO CCOCCC1(C[NH2+]Cc2c(C)nn([C@H]3CCS(=O)(=O)C3)c2Cl)CC1 ZINC000752089949 655839394 /nfs/dbraw/zinc/83/93/94/655839394.db2.gz VNQYKZWEBLVDON-AWEZNQCLSA-N 1 0 389.949 2.501 20 0 GFADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)N1CCc2cc(Cl)cc(Cl)c2C1 ZINC000752370511 655842699 /nfs/dbraw/zinc/84/26/99/655842699.db2.gz OGEWRLWJJDJRMP-LSDHHAIUSA-N 1 0 384.307 2.924 20 0 GFADRO C[C@@H]([N@H+](C)CN1C(=O)C(=O)N(c2ccc(Br)cc2)C1=O)C1(C)CC1 ZINC000753113107 655850649 /nfs/dbraw/zinc/85/06/49/655850649.db2.gz WOGSKYFOAAJYTD-LLVKDONJSA-N 1 0 394.269 2.822 20 0 GFADRO COCC[N@H+](C)CCNC(=O)N[C@@H]1CCOc2c(Cl)c(Cl)ccc21 ZINC000753123580 655850682 /nfs/dbraw/zinc/85/06/82/655850682.db2.gz AXNKYAXQKPVVDM-CYBMUJFWSA-N 1 0 376.284 2.694 20 0 GFADRO CC1CC[NH+](C[C@@H]2CCCN(C(=O)c3cnn(C)c3Br)C2)CC1 ZINC000753809570 655859027 /nfs/dbraw/zinc/85/90/27/655859027.db2.gz NDIRZHNQVOUVAI-AWEZNQCLSA-N 1 0 383.334 2.767 20 0 GFADRO C[NH+]1CCN(Cc2ccc(NC(=O)c3scnc3Br)cc2)CC1 ZINC000754110156 655863859 /nfs/dbraw/zinc/86/38/59/655863859.db2.gz RMVOFDHZPOUIBK-UHFFFAOYSA-N 1 0 395.326 2.905 20 0 GFADRO Cc1ccsc1-c1nnc(NC(=O)C[NH2+][C@H](CCO)c2cccs2)o1 ZINC000754386669 655867183 /nfs/dbraw/zinc/86/71/83/655867183.db2.gz STLCZSBXDQOHCD-LLVKDONJSA-N 1 0 378.479 2.820 20 0 GFADRO O=C(C[NH2+][C@@H](CCO)c1cccs1)NCCc1nc2ccccc2s1 ZINC000754387508 655867222 /nfs/dbraw/zinc/86/72/22/655867222.db2.gz VRQCZGDNIZJXAF-ZDUSSCGKSA-N 1 0 375.519 2.730 20 0 GFADRO C[C@H]([NH2+]CCC(C)(C)S(C)(=O)=O)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000840876900 661197791 /nfs/dbraw/zinc/19/77/91/661197791.db2.gz QSEJJPXMPGTMPK-AWEZNQCLSA-N 1 0 376.563 2.825 20 0 GFADRO C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+]CCS(=O)(=O)C1CC1 ZINC000840883813 661198323 /nfs/dbraw/zinc/19/83/23/661198323.db2.gz XCWHRLKLUCINNP-LLVKDONJSA-N 1 0 378.416 2.589 20 0 GFADRO C[NH+](C)CCCNC(=S)Nc1cnn(-c2ccccc2Br)c1 ZINC000755399128 655882887 /nfs/dbraw/zinc/88/28/87/655882887.db2.gz UJMDLWPITHLBEG-UHFFFAOYSA-N 1 0 382.331 2.873 20 0 GFADRO Cc1cc(NC(=O)C(=O)NC[C@@H](C)[NH+]2CCCCC2)cc(C)c1Br ZINC000756082761 655894404 /nfs/dbraw/zinc/89/44/04/655894404.db2.gz KNQVWPVAWCMCQZ-CQSZACIVSA-N 1 0 396.329 2.995 20 0 GFADRO CS(=O)(=O)c1ccc(C[NH2+]C[C@@H](O)c2cccc(C(F)(F)F)c2)s1 ZINC000840894525 661201539 /nfs/dbraw/zinc/20/15/39/661201539.db2.gz AXEZXHYDOSIPMV-CYBMUJFWSA-N 1 0 379.425 2.994 20 0 GFADRO COc1ccc(OC(F)F)c(CNC(=S)NCC(C)(C)C[NH+](C)C)c1 ZINC000756784206 655905172 /nfs/dbraw/zinc/90/51/72/655905172.db2.gz BXQSREVCZUBDET-UHFFFAOYSA-N 1 0 375.485 2.849 20 0 GFADRO O=C(NC[C@H]1CC1(Cl)Cl)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000758262591 655927665 /nfs/dbraw/zinc/92/76/65/655927665.db2.gz CANSGKHVUUWMBX-HZPDHXFCSA-N 1 0 386.323 2.771 20 0 GFADRO C[NH+](C)CC(C)(C)CNC(=S)NCCOc1cccc(C(F)(F)F)n1 ZINC000758257067 655927788 /nfs/dbraw/zinc/92/77/88/655927788.db2.gz BACKQPVBUOTTCI-UHFFFAOYSA-N 1 0 378.464 2.531 20 0 GFADRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NS(=O)(=O)c1c(Cl)nc2sccn21 ZINC000759790716 655963179 /nfs/dbraw/zinc/96/31/79/655963179.db2.gz PMBDMPXTYFYAIM-IJLUTSLNSA-N 1 0 390.962 2.694 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cnn(-c2ccccc2)c1Br ZINC000760183200 655971569 /nfs/dbraw/zinc/97/15/69/655971569.db2.gz PDXYASOFRLJMEG-UKRRQHHQSA-N 1 0 389.297 2.991 20 0 GFADRO O=C(NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1)C(=O)C1CCSCC1 ZINC000840927578 661210477 /nfs/dbraw/zinc/21/04/77/661210477.db2.gz ZFXUELKORASPMS-UHFFFAOYSA-N 1 0 378.460 2.620 20 0 GFADRO C[NH+]1CCC(CNC(=S)NC[C@H](O)c2c(Cl)cccc2Cl)CC1 ZINC000760491132 655982571 /nfs/dbraw/zinc/98/25/71/655982571.db2.gz AGTZYDOWTBTQNS-AWEZNQCLSA-N 1 0 376.353 2.833 20 0 GFADRO C[C@@H]1C[C@H](N2C(=O)N[C@](C)(c3cccc(Br)c3)C2=O)CC[N@@H+]1C ZINC000761286079 656007839 /nfs/dbraw/zinc/00/78/39/656007839.db2.gz ZBSXQDMAWORSIW-JDSLSITLSA-N 1 0 380.286 2.699 20 0 GFADRO COc1ccc(C(=O)NCC[N@@H+]2CCC[C@H]2C)c(I)c1 ZINC000761645409 656019228 /nfs/dbraw/zinc/01/92/28/656019228.db2.gz DITYVOARBITAPG-LLVKDONJSA-N 1 0 388.249 2.514 20 0 GFADRO CC(C)[C@H](SCC[NH+](C(C)C)C(C)C)C(=O)N[C@]1(C)CCS(=O)(=O)C1 ZINC000762199028 656035956 /nfs/dbraw/zinc/03/59/56/656035956.db2.gz MLUFLHGTQHFCQS-FUHWJXTLSA-N 1 0 392.631 2.556 20 0 GFADRO COCC[N@@H+]1CCCN(C(=O)[C@@H](C)Sc2nc3ccccc3s2)CC1 ZINC000762961614 656066854 /nfs/dbraw/zinc/06/68/54/656066854.db2.gz PIORBMFQCRAICU-CQSZACIVSA-N 1 0 379.551 2.958 20 0 GFADRO O=C(N[C@@H]1CC[C@@H]2SCCS[C@@H]12)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000763181421 656074401 /nfs/dbraw/zinc/07/44/01/656074401.db2.gz UXERUAHJPDUMCY-BDXSIMOUSA-N 1 0 377.579 2.789 20 0 GFADRO CCOc1cc(Br)ccc1NC(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000764241067 656105547 /nfs/dbraw/zinc/10/55/47/656105547.db2.gz DDQACIGBYLYIKB-KGLIPLIRSA-N 1 0 398.301 2.833 20 0 GFADRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)[C@@H](O)c2cc(Cl)cc(Cl)c2)C1 ZINC000765133698 656133195 /nfs/dbraw/zinc/13/31/95/656133195.db2.gz UYGJRRCDWJNXQR-SJORKVTESA-N 1 0 389.323 2.986 20 0 GFADRO C[C@H]1CCN(C(=O)Nc2cc3c(cc2Br)OCCO3)C[C@@H]1C[NH3+] ZINC000841015970 661228018 /nfs/dbraw/zinc/22/80/18/661228018.db2.gz QBEHTTKXPRTRDJ-QWRGUYRKSA-N 1 0 384.274 2.669 20 0 GFADRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NS(=O)(=O)/C=C\c1ccc(Br)cc1 ZINC000765207445 656137016 /nfs/dbraw/zinc/13/70/16/656137016.db2.gz HOTANBFZMHAILF-KESKLVDESA-N 1 0 385.327 2.822 20 0 GFADRO Cc1cc(N2CCN(Cc3ccc(Br)c(F)c3)CC2)nc(N)[nH+]1 ZINC000765555403 656145322 /nfs/dbraw/zinc/14/53/22/656145322.db2.gz POHAHQPIEWTYIT-UHFFFAOYSA-N 1 0 380.265 2.591 20 0 GFADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)N2Cc3ccc(Br)cc3C2)C1 ZINC000765869789 656153765 /nfs/dbraw/zinc/15/37/65/656153765.db2.gz RAWIVMHGFVUMPF-KRWDZBQOSA-N 1 0 396.329 2.831 20 0 GFADRO CC[N@@H+]1C[C@@H](C)N(C(=O)c2cn(-c3ccccc3Br)nn2)C[C@H]1C ZINC000765934073 656155585 /nfs/dbraw/zinc/15/55/85/656155585.db2.gz XWHZJVWVJWPZFQ-CHWSQXEVSA-N 1 0 392.301 2.585 20 0 GFADRO O=C(CCCC[NH+]1CCCC1)NC[C@H](O)COc1ccccc1Br ZINC000766161731 656163273 /nfs/dbraw/zinc/16/32/73/656163273.db2.gz ISTQKSIUTBETPO-HNNXBMFYSA-N 1 0 399.329 2.571 20 0 GFADRO CN(C(=O)C1SCCCS1)[C@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000841173203 661241345 /nfs/dbraw/zinc/24/13/45/661241345.db2.gz HOBZSAAQXCECIO-SJORKVTESA-N 1 0 385.643 2.978 20 0 GFADRO C[NH+]1CCC(NC(=S)NCc2cc3cc(Br)ccc3[nH]2)CC1 ZINC000767421633 656202505 /nfs/dbraw/zinc/20/25/05/656202505.db2.gz RWAVUTSWHWLZSB-UHFFFAOYSA-N 1 0 381.343 2.989 20 0 GFADRO CC[C@@H](SC)C(=O)OCC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000767669137 656213570 /nfs/dbraw/zinc/21/35/70/656213570.db2.gz AUMRVNFZAIYVTP-MRXNPFEDSA-N 1 0 382.551 2.859 20 0 GFADRO COc1cc(S(=O)(=O)NCCC[N@H+](C)Cc2ccccc2)cnc1Cl ZINC000767671280 656213580 /nfs/dbraw/zinc/21/35/80/656213580.db2.gz FUQUCJQXMDZTPL-UHFFFAOYSA-N 1 0 383.901 2.544 20 0 GFADRO O=C(NCC[C@@H]1CC[NH2+]C1)Nc1cnc(Br)c(Br)c1 ZINC000841143288 661237695 /nfs/dbraw/zinc/23/76/95/661237695.db2.gz WVPIVVJTZZMJCV-QMMMGPOBSA-N 1 0 392.095 2.728 20 0 GFADRO O=C(NCCN1CC[NH2+]CC1)Nc1ccc2cc(Br)ccc2c1 ZINC000841148265 661238439 /nfs/dbraw/zinc/23/84/39/661238439.db2.gz WRGWHESRUXCOSK-UHFFFAOYSA-N 1 0 377.286 2.629 20 0 GFADRO CN(C(=O)C(=O)Nc1cccc(Cl)c1SC(F)F)C1CC[NH2+]CC1 ZINC000841154312 661239375 /nfs/dbraw/zinc/23/93/75/661239375.db2.gz FSMLEEIQJFBROA-UHFFFAOYSA-N 1 0 377.844 2.804 20 0 GFADRO CC1(CNC(=O)C(=O)Nc2ccccc2SC(F)(F)F)CC[NH2+]CC1 ZINC000841210855 661244639 /nfs/dbraw/zinc/24/46/39/661244639.db2.gz WIORAYAQEJHLRL-UHFFFAOYSA-N 1 0 375.416 2.743 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H](NC(=O)C(=O)Nc2cccc(Cl)c2SC(F)F)C1 ZINC000841225722 661245890 /nfs/dbraw/zinc/24/58/90/661245890.db2.gz FPZRVPQOHDPMIY-RKDXNWHRSA-N 1 0 377.844 2.979 20 0 GFADRO C[C@H]1CCC[C@@](CNC(=O)c2nccn3c(Br)cnc23)([NH+](C)C)C1 ZINC000769716911 656287553 /nfs/dbraw/zinc/28/75/53/656287553.db2.gz RAJYTIFXEKZFHP-YVEFUNNKSA-N 1 0 394.317 2.732 20 0 GFADRO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)c1nccn2c(Br)cnc12 ZINC000769743731 656289186 /nfs/dbraw/zinc/28/91/86/656289186.db2.gz OROPUIMUMIAVRU-ZDUSSCGKSA-N 1 0 394.317 2.876 20 0 GFADRO Cn1nc(C(F)(F)F)c(C[NH2+][C@@H]2CCCC[C@H]2N2CCOCC2)c1Cl ZINC000769801276 656292276 /nfs/dbraw/zinc/29/22/76/656292276.db2.gz OEUBYQBSMZRIOY-CHWSQXEVSA-N 1 0 380.842 2.825 20 0 GFADRO Cn1nc(C(F)(F)F)c(C[NH2+][C@@H]2CCCC[C@@H]2N2CCOCC2)c1Cl ZINC000769801281 656292292 /nfs/dbraw/zinc/29/22/92/656292292.db2.gz OEUBYQBSMZRIOY-OLZOCXBDSA-N 1 0 380.842 2.825 20 0 GFADRO COC(=O)/C=C1\SCC(=O)N1CCC[N@H+](C)Cc1cc(Cl)ccc1F ZINC000769854692 656295200 /nfs/dbraw/zinc/29/52/00/656295200.db2.gz NJOCHPMONPFMDK-SXGWCWSVSA-N 1 0 386.876 2.891 20 0 GFADRO O=C(NCCO)C1CC[NH+]([C@@H]2CCCc3ccc(Br)cc32)CC1 ZINC000769908162 656299867 /nfs/dbraw/zinc/29/98/67/656299867.db2.gz LTQZSKYBUFOGGY-QGZVFWFLSA-N 1 0 381.314 2.647 20 0 GFADRO C[C@@H](C[NH+]1CCC(CCN(C)C(=O)OC(C)(C)C)CC1)CS(C)(=O)=O ZINC000769947810 656301988 /nfs/dbraw/zinc/30/19/88/656301988.db2.gz WNIQCLCFPVRSBT-HNNXBMFYSA-N 1 0 376.563 2.636 20 0 GFADRO O=C1C[C@@H]([C@@H]2CCCC[N@H+]2Cc2ccccc2I)CN1 ZINC000770378365 656317640 /nfs/dbraw/zinc/31/76/40/656317640.db2.gz DTPXGMXYDAXUBP-HIFRSBDPSA-N 1 0 384.261 2.782 20 0 GFADRO Cc1cc(NCc2ccc(Br)cc2N2CCOCC2)nc(N)[nH+]1 ZINC000770471252 656320051 /nfs/dbraw/zinc/32/00/51/656320051.db2.gz QJHCHTMDYZYSAV-UHFFFAOYSA-N 1 0 378.274 2.578 20 0 GFADRO CC[NH+]1CCC(CCNC(=O)c2cccnc2I)CC1 ZINC000770498805 656321062 /nfs/dbraw/zinc/32/10/62/656321062.db2.gz GQSUNRCOTLFEST-UHFFFAOYSA-N 1 0 387.265 2.538 20 0 GFADRO COc1cc([C@H](C)[NH2+][C@@H](CO)CC(F)(F)F)ccc1S(=O)(=O)C(F)F ZINC000773107480 656399933 /nfs/dbraw/zinc/39/99/33/656399933.db2.gz PPEPZAMJWOPFLM-WCBMZHEXSA-N 1 0 391.358 2.655 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)c2cc(=O)c3cc(Br)ccc3o2)C[N@@H+]1C1CC1 ZINC000841406880 661261223 /nfs/dbraw/zinc/26/12/23/661261223.db2.gz NZZFVFIOEHEEHO-PWSUYJOCSA-N 1 0 391.265 2.911 20 0 GFADRO C[NH+]1CCC(N(C[C@@H](O)CC(C)(C)C)C(=O)C[C@@H]2CSCCS2)CC1 ZINC000773448889 656448942 /nfs/dbraw/zinc/44/89/42/656448942.db2.gz QXXDXZQXKWDCIU-DLBZAZTESA-N 1 0 388.643 2.945 20 0 GFADRO C[C@H]1C[C@@H](NC(=O)c2cc(=O)c3cc(Br)ccc3o2)CC[N@@H+]1C ZINC000841397668 661260212 /nfs/dbraw/zinc/26/02/12/661260212.db2.gz QGACYFKHBMJRQG-JQWIXIFHSA-N 1 0 379.254 2.768 20 0 GFADRO C[N@H+](CCCNC(=O)C(F)(F)F)CCOc1ccc(Br)cc1 ZINC000774545788 656536923 /nfs/dbraw/zinc/53/69/23/656536923.db2.gz GSNAAMITPOXFQX-UHFFFAOYSA-N 1 0 383.208 2.828 20 0 GFADRO COc1ccc([C@H](O)C[NH2+]C[C@@H](O)c2ccc(F)c(Br)c2)cc1 ZINC000774610902 656540240 /nfs/dbraw/zinc/54/02/40/656540240.db2.gz LBMOJPWOOWIXPR-IAGOWNOFSA-N 1 0 384.245 2.953 20 0 GFADRO CC(C)N(CCC[NH2+][C@@H]1CCCC[C@@H]1S(C)(=O)=O)C(=O)OC(C)(C)C ZINC000775385604 656635491 /nfs/dbraw/zinc/63/54/91/656635491.db2.gz MCQLLIVDKDGRSM-CVEARBPZSA-N 1 0 376.563 2.967 20 0 GFADRO O=S1(=O)CC[C@@H]([NH2+]C[C@@H](O)c2ccccc2)c2cc(Br)ccc21 ZINC000775483197 656642241 /nfs/dbraw/zinc/64/22/41/656642241.db2.gz OUHPZDRPCQWOET-HZPDHXFCSA-N 1 0 396.306 2.991 20 0 GFADRO COCCC[NH+]1CCC(NC(=O)Nc2cc(Br)ncc2C)CC1 ZINC000776035554 656703394 /nfs/dbraw/zinc/70/33/94/656703394.db2.gz DCIGXDUBVCREFE-UHFFFAOYSA-N 1 0 385.306 2.775 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)NCC[N@H+]2CCC[C@@H]2C)cc1Br ZINC000777135523 656812727 /nfs/dbraw/zinc/81/27/27/656812727.db2.gz IGFZKYRHPRMLGJ-ZDUSSCGKSA-N 1 0 382.302 2.605 20 0 GFADRO C[N@@H+]1CC[C@H](CN2C(=O)[C@H]3CSCN3C2=O)[C@H]1c1ccc(Cl)c(F)c1 ZINC000777672950 656832101 /nfs/dbraw/zinc/83/21/01/656832101.db2.gz XYETXGMODHICFD-KCPJHIHWSA-N 1 0 383.876 2.809 20 0 GFADRO CCOCCOc1ccc(Br)cc1NC(=S)NCC[NH+](C)C ZINC000778529105 656883818 /nfs/dbraw/zinc/88/38/18/656883818.db2.gz UNRAZMZTYBNYSR-UHFFFAOYSA-N 1 0 390.347 2.712 20 0 GFADRO CCS(=O)(=O)CC[NH2+][C@H](c1ccc(Br)cc1)[C@@H]1CCCO1 ZINC000779051560 656898389 /nfs/dbraw/zinc/89/83/89/656898389.db2.gz DQHRGMMQJSPWMQ-LSDHHAIUSA-N 1 0 376.316 2.694 20 0 GFADRO Cc1cc(Br)ccc1S(=O)(=O)NC[C@H](C)[NH+]1CCCCC1 ZINC000780716883 657025543 /nfs/dbraw/zinc/02/55/43/657025543.db2.gz TXXJEECREQCMNS-ZDUSSCGKSA-N 1 0 375.332 2.910 20 0 GFADRO CC[NH+](CC)CCO[C@@H]1CCN(S(=O)(=O)c2cccc(C(F)F)c2)C1 ZINC000780804538 657030214 /nfs/dbraw/zinc/03/02/14/657030214.db2.gz MTZCDJKFZBCVFN-OAHLLOKOSA-N 1 0 376.469 2.746 20 0 GFADRO COc1cc(/C=C\C(=O)N2CC[C@H](C[NH+](C)C)C2)cc(Br)c1O ZINC000781406684 657054524 /nfs/dbraw/zinc/05/45/24/657054524.db2.gz QZAIXQBNMNWQID-DSYXLKISSA-N 1 0 383.286 2.587 20 0 GFADRO COC(=O)Cc1ccccc1C[NH2+][C@@H](CO)c1cccc(Br)c1 ZINC000782081973 657101389 /nfs/dbraw/zinc/10/13/89/657101389.db2.gz BLQHASAHIUKGKW-KRWDZBQOSA-N 1 0 378.266 2.988 20 0 GFADRO C[NH+](C)[C@H]1CCCN(C(=O)c2cnn(-c3ccccc3)c2Br)C1 ZINC000782170787 657110211 /nfs/dbraw/zinc/11/02/11/657110211.db2.gz YNXTZUIAOONILM-AWEZNQCLSA-N 1 0 377.286 2.801 20 0 GFADRO S=C(Nc1ccc(Br)cc1)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000783717847 657253796 /nfs/dbraw/zinc/25/37/96/657253796.db2.gz DUCCKQGDRBVIRS-UHFFFAOYSA-N 1 0 397.386 2.859 20 0 GFADRO C[C@@H]1CCC[N@@H+]1CCNC(=O)c1nn(-c2ccc(F)cc2)cc1Br ZINC000783919365 657274226 /nfs/dbraw/zinc/27/42/26/657274226.db2.gz WYKXTKQUJHRNJB-GFCCVEGCSA-N 1 0 395.276 2.988 20 0 GFADRO Clc1ccc(-n2cc(CNC[C@H]3C[N@@H+]4CCC[C@H]4CO3)nn2)cc1Cl ZINC000784534871 657315469 /nfs/dbraw/zinc/31/54/69/657315469.db2.gz QPRUXCFHYQFALP-GJZGRUSLSA-N 1 0 382.295 2.527 20 0 GFADRO Cn1nc(Br)cc1C[NH2+][C@@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1 ZINC000785508312 657370423 /nfs/dbraw/zinc/37/04/23/657370423.db2.gz PVRPKZSGNAYAEO-CZUORRHYSA-N 1 0 397.704 2.898 20 0 GFADRO Cn1nc(Br)cc1C[NH2+][C@@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000785509077 657370435 /nfs/dbraw/zinc/37/04/35/657370435.db2.gz LPTPRZSWVNOOEM-GDBMZVCRSA-N 1 0 385.256 2.996 20 0 GFADRO Cn1nc(Br)cc1C[NH2+][C@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1 ZINC000785508314 657370563 /nfs/dbraw/zinc/37/05/63/657370563.db2.gz PVRPKZSGNAYAEO-XJKSGUPXSA-N 1 0 397.704 2.898 20 0 GFADRO C[NH+](C)CCc1ccc(CNS(=O)(=O)c2c(Cl)ccnc2Cl)cc1 ZINC000786126596 657407668 /nfs/dbraw/zinc/40/76/68/657407668.db2.gz QKKOEKHDGNFQKE-UHFFFAOYSA-N 1 0 388.320 2.971 20 0 GFADRO O=C([C@@H]1CCC[N@@H+]1C1CC1)N1CCO[C@H](c2ccccc2Br)C1 ZINC000787286729 657538957 /nfs/dbraw/zinc/53/89/57/657538957.db2.gz LTIURAMJIVUYNZ-IRXDYDNUSA-N 1 0 379.298 2.976 20 0 GFADRO O=C(NC[C@](O)(c1ccc(Cl)cc1)C(F)(F)F)[C@H]1CCC[N@@H+]1C1CC1 ZINC000787413150 657553503 /nfs/dbraw/zinc/55/35/03/657553503.db2.gz GHNXBDOQDXSMIK-ZBFHGGJFSA-N 1 0 376.806 2.833 20 0 GFADRO COc1cc(C(=O)NC2CC[NH+](C3CCCC3)CC2)cnc1Br ZINC000788226265 657676927 /nfs/dbraw/zinc/67/69/27/657676927.db2.gz DCWOQXUILABDNX-UHFFFAOYSA-N 1 0 382.302 2.990 20 0 GFADRO COc1cc([C@H](C)[NH2+]CCOC(F)(F)F)ccc1S(=O)(=O)C(F)F ZINC000788980032 657805568 /nfs/dbraw/zinc/80/55/68/657805568.db2.gz KFNJRSNSOIQXII-QMMMGPOBSA-N 1 0 377.331 2.879 20 0 GFADRO C[C@H]1CC[N@H+](CCNC(=O)c2nc(Br)ccc2Br)C1 ZINC000790701560 658013965 /nfs/dbraw/zinc/01/39/65/658013965.db2.gz NCMQLXHITLDCTI-VIFPVBQESA-N 1 0 391.107 2.678 20 0 GFADRO CC[NH+](CC)C[C@H](C)NS(=O)(=O)c1c(OC)ccc2nc(Cl)ccc21 ZINC000790880906 658039806 /nfs/dbraw/zinc/03/98/06/658039806.db2.gz SPWFJFUXCROBFG-LBPRGKRZSA-N 1 0 385.917 2.905 20 0 GFADRO COC(=O)C1=C(C)O[C@@H](C[N@H+](CCO)Cc2ccc(Br)s2)C1 ZINC000792489549 658289358 /nfs/dbraw/zinc/28/93/58/658289358.db2.gz UUSGPHFRSJZJMD-LLVKDONJSA-N 1 0 390.299 2.541 20 0 GFADRO Cc1n[nH]c(C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)c1Br ZINC000792498517 658293424 /nfs/dbraw/zinc/29/34/24/658293424.db2.gz QOJPWIWUHCPYJN-CQSZACIVSA-N 1 0 377.286 2.733 20 0 GFADRO COc1ccc(Cl)cc1NC(=S)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000792680672 658309468 /nfs/dbraw/zinc/30/94/68/658309468.db2.gz JBRYLLMLKVRVHG-OAHLLOKOSA-N 1 0 382.961 2.757 20 0 GFADRO CCC[NH+](CCC)CCCNC(=O)C(=O)Nc1ccc(C)c(Br)n1 ZINC000792982414 658340885 /nfs/dbraw/zinc/34/08/85/658340885.db2.gz YGODNVJVDKKKNK-UHFFFAOYSA-N 1 0 399.333 2.719 20 0 GFADRO Cc1ccc(NC(=O)C(=O)Nc2ccc(C[NH+](C)C)cc2)nc1Br ZINC000793033242 658349792 /nfs/dbraw/zinc/34/97/92/658349792.db2.gz AISOGPCVDDUSLT-UHFFFAOYSA-N 1 0 391.269 2.791 20 0 GFADRO Brc1cnn(CCCC[NH2+]Cc2cn(-c3ccccc3)nn2)c1 ZINC000793208076 658371973 /nfs/dbraw/zinc/37/19/73/658371973.db2.gz WUFHBBNBOWFSGX-UHFFFAOYSA-N 1 0 375.274 2.796 20 0 GFADRO C[C@@H](O)C[N@@H+]1CCN(C(=O)Cc2ccc(Cl)cc2Br)[C@H](C)C1 ZINC000793874494 658453957 /nfs/dbraw/zinc/45/39/57/658453957.db2.gz LVWYODNEJPNIER-VXGBXAGGSA-N 1 0 389.721 2.559 20 0 GFADRO Cc1ccc(-n2nc(Br)cc2C(=O)NCC[N@H+]2CC=CCC2)cc1 ZINC000794117289 658489454 /nfs/dbraw/zinc/48/94/54/658489454.db2.gz AYDRMILNGOKZRL-UHFFFAOYSA-N 1 0 389.297 2.935 20 0 GFADRO CC[NH+](CC)CC[C@@H](CO)NC(=O)Nc1cnc(Cl)c(Br)c1 ZINC000794283042 658511687 /nfs/dbraw/zinc/51/16/87/658511687.db2.gz DGAHGHYBUGRHMP-JTQLQIEISA-N 1 0 393.713 2.712 20 0 GFADRO Cc1ccc(NC(=O)NC(C)(C)CC[NH+]2CCN(C)CC2)nc1Br ZINC000794358481 658527252 /nfs/dbraw/zinc/52/72/52/658527252.db2.gz CIAMSTHFNLTHPZ-UHFFFAOYSA-N 1 0 398.349 2.690 20 0 GFADRO O=C(Nc1cccc(C[N@H+]2CC[C@H](O)C2)c1)c1ccc(Br)nc1 ZINC000794562898 658561381 /nfs/dbraw/zinc/56/13/81/658561381.db2.gz BYYSWQUUWDZBHW-HNNXBMFYSA-N 1 0 376.254 2.663 20 0 GFADRO Cc1ccc(Br)nc1C(=O)Nc1cccc(C[N@@H+]2CC[C@H](O)C2)c1 ZINC000794579703 658566334 /nfs/dbraw/zinc/56/63/34/658566334.db2.gz OTEGUXBGBAYAOU-HNNXBMFYSA-N 1 0 390.281 2.971 20 0 GFADRO O[C@@H]1CCCC[C@H]1[NH+]1CCC(NC(=S)NCCCCC(F)(F)F)CC1 ZINC000794985443 658645676 /nfs/dbraw/zinc/64/56/76/658645676.db2.gz SSWIPYLRYGYIDI-HUUCEWRRSA-N 1 0 381.508 2.951 20 0 GFADRO S=c1scnn1CN1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000795699434 658843021 /nfs/dbraw/zinc/84/30/21/658843021.db2.gz KERYECUFQPQVPI-KRWDZBQOSA-N 1 0 375.567 2.524 20 0 GFADRO CC[C@H]([NH2+][C@@H](C)Cc1cnccn1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000795787536 658851260 /nfs/dbraw/zinc/85/12/60/658851260.db2.gz RDRSAFUSWWNNPZ-LRDDRELGSA-N 1 0 382.917 2.710 20 0 GFADRO CC[C@H]([NH2+][C@H](C)Cc1cnccn1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000795787538 658851402 /nfs/dbraw/zinc/85/14/02/658851402.db2.gz RDRSAFUSWWNNPZ-WBMJQRKESA-N 1 0 382.917 2.710 20 0 GFADRO Cc1cc(Br)cc(C)c1N1CCC[C@H]([N@@H+]2C[C@@H]3C[C@]3(CO)C2)C1=O ZINC000796034818 658882305 /nfs/dbraw/zinc/88/23/05/658882305.db2.gz RTAYFAHPRHJNJE-URLQWDBASA-N 1 0 393.325 2.876 20 0 GFADRO O=C1[C@@H]([NH2+][C@@H]2CCCc3n[nH]cc32)CCN1c1cccc(Br)c1 ZINC000796974004 658956879 /nfs/dbraw/zinc/95/68/79/658956879.db2.gz UGWAICVQHKMGLA-ZBFHGGJFSA-N 1 0 375.270 2.945 20 0 GFADRO CCOC(=O)C(F)(F)[C@@H]1CCC[C@H]([NH2+]CC2(S(C)(=O)=O)CCCC2)C1 ZINC000797102143 658979365 /nfs/dbraw/zinc/97/93/65/658979365.db2.gz OFAGKODTRSEQSF-KGLIPLIRSA-N 1 0 381.485 2.691 20 0 GFADRO C[NH+](C)Cc1cc(CNC(=O)Cc2cccnc2Br)ccc1F ZINC000798294048 659092600 /nfs/dbraw/zinc/09/26/00/659092600.db2.gz PNFWOBJPIAIHCW-UHFFFAOYSA-N 1 0 380.261 2.904 20 0 GFADRO C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CCC=C(Br)C1 ZINC000799327712 659181966 /nfs/dbraw/zinc/18/19/66/659181966.db2.gz YMSUMGYEWYWGFL-CRAIPNDOSA-N 1 0 392.341 2.750 20 0 GFADRO O=C(NC[C@H](O)c1cccc(Br)c1)NC1CC[NH+](CC2CC2)CC1 ZINC000799873079 659237673 /nfs/dbraw/zinc/23/76/73/659237673.db2.gz KNQJGLGJULOBEF-KRWDZBQOSA-N 1 0 396.329 2.656 20 0 GFADRO C[NH+](C)CC1CCC(NC(=O)NC[C@H](O)c2cccc(Br)c2)CC1 ZINC000799960448 659251107 /nfs/dbraw/zinc/25/11/07/659251107.db2.gz VVCVXQAXPSZHSS-IMRCBTMISA-N 1 0 398.345 2.902 20 0 GFADRO O=C(NC[C@H](O)c1cccc(Br)c1)NCC1CC[NH+](C2CC2)CC1 ZINC000799983113 659253810 /nfs/dbraw/zinc/25/38/10/659253810.db2.gz VKPHRYWNNTUUIP-KRWDZBQOSA-N 1 0 396.329 2.656 20 0 GFADRO O=C(OCCC[NH+]1CCCC1)c1sccc1S(=O)(=O)N1CCCCC1 ZINC000800105315 659270689 /nfs/dbraw/zinc/27/06/89/659270689.db2.gz OGOOELUJKRXICJ-UHFFFAOYSA-N 1 0 386.539 2.565 20 0 GFADRO O=C(OCCC[NH+]1CCCC1)c1ccc(Br)cc1-n1cncn1 ZINC000800189650 659288905 /nfs/dbraw/zinc/28/89/05/659288905.db2.gz GNGKJKXIBMGUJA-UHFFFAOYSA-N 1 0 379.258 2.673 20 0 GFADRO CC(C)(C)OC(=O)Nc1ncc(C[NH2+]C[C@@H]2CCCCS2(=O)=O)s1 ZINC000800262544 659297659 /nfs/dbraw/zinc/29/76/59/659297659.db2.gz NOIWNWGZCANNQQ-LBPRGKRZSA-N 1 0 375.516 2.547 20 0 GFADRO Nc1nccc([C@H]2CCC[N@H+](C[C@@H](O)c3ccccc3Br)C2)n1 ZINC000801551052 659403476 /nfs/dbraw/zinc/40/34/76/659403476.db2.gz MGFZKBFXCXESJV-BLLLJJGKSA-N 1 0 377.286 2.734 20 0 GFADRO C[N@H+](CCNC(=O)NC[C@@H](O)c1cccc(Br)c1)C1CCCC1 ZINC000801749362 659421967 /nfs/dbraw/zinc/42/19/67/659421967.db2.gz MHRACTBAHCMPEY-MRXNPFEDSA-N 1 0 384.318 2.656 20 0 GFADRO CC(C)[N@@H+]1CCO[C@@H](COC(=O)[C@H](C)Oc2ccccc2Br)C1 ZINC000802136195 659447522 /nfs/dbraw/zinc/44/75/22/659447522.db2.gz GTRSCXSIAQEZJE-UONOGXRCSA-N 1 0 386.286 2.869 20 0 GFADRO CC(C)[N@@H+]1CCO[C@@H](COC(=O)[C@H](C)Oc2ccc(Br)cc2)C1 ZINC000802140886 659448930 /nfs/dbraw/zinc/44/89/30/659448930.db2.gz MYLZKBPDUBZDNX-XJKSGUPXSA-N 1 0 386.286 2.869 20 0 GFADRO CC(C)[N@@H+]1CCO[C@@H](COC(=O)c2cccc(I)c2)C1 ZINC000802140028 659449376 /nfs/dbraw/zinc/44/93/76/659449376.db2.gz DSYSOIIYIUDVCJ-CQSZACIVSA-N 1 0 389.233 2.557 20 0 GFADRO NC(=O)C1=NO[C@@H](C[NH2+]Cc2ccc(-c3ccccc3Br)cc2)C1 ZINC000802649875 659492723 /nfs/dbraw/zinc/49/27/23/659492723.db2.gz QUNZOHUCDMNBQC-CQSZACIVSA-N 1 0 388.265 2.836 20 0 GFADRO O=C([C@@H]1CC1(Cl)Cl)N1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000804446598 659647870 /nfs/dbraw/zinc/64/78/70/659647870.db2.gz LGPPEYVOIUVCEK-IRXDYDNUSA-N 1 0 382.335 2.599 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCCN(S(=O)(=O)N(C)C)C1)c1ccc(SC(F)F)cc1 ZINC000806170811 659826775 /nfs/dbraw/zinc/82/67/75/659826775.db2.gz GHWSLYOKDJAFFX-GXTWGEPZSA-N 1 0 393.525 2.923 20 0 GFADRO Cc1cc(NC(=O)NCC(F)(F)Br)n(C2CC[NH+](C)CC2)n1 ZINC000806334653 659829585 /nfs/dbraw/zinc/82/95/85/659829585.db2.gz RUPRSMVPXJXABN-UHFFFAOYSA-N 1 0 380.237 2.567 20 0 GFADRO CC(C)(C)OC(=O)CS(=O)(=O)CC[NH2+][C@H]1CCSc2ccc(F)cc21 ZINC000806626028 659837999 /nfs/dbraw/zinc/83/79/99/659837999.db2.gz XKZMTFXKEGIPMP-AWEZNQCLSA-N 1 0 389.514 2.709 20 0 GFADRO Brc1c(C[NH2+][C@@H]2CCOC3(CCOCC3)C2)nc2ccccn21 ZINC000809626947 659934255 /nfs/dbraw/zinc/93/42/55/659934255.db2.gz MSQNDQYYWGHDLV-CYBMUJFWSA-N 1 0 380.286 2.915 20 0 GFADRO O=C(c1cc(Cl)ncc1Br)N1CCN(c2cc[nH+]cc2)CC1 ZINC000809971238 659954248 /nfs/dbraw/zinc/95/42/48/659954248.db2.gz XSJVMGGCEILYLU-UHFFFAOYSA-N 1 0 381.661 2.855 20 0 GFADRO C[C@H](C(=O)NC1CC1)[N@@H+]1CCC[C@@H]([C@H](O)c2ccc(Br)cc2)C1 ZINC000810047986 659957813 /nfs/dbraw/zinc/95/78/13/659957813.db2.gz RHZRCLNXIRNZQQ-SUYBPPKGSA-N 1 0 381.314 2.862 20 0 GFADRO C[C@@H]([NH2+]CCNS(=O)(=O)Cc1ccccc1)c1ccc(Br)nc1 ZINC000810212019 659966881 /nfs/dbraw/zinc/96/68/81/659966881.db2.gz ZAGIPOYUEHAWIG-CYBMUJFWSA-N 1 0 398.326 2.614 20 0 GFADRO NS(=O)(=O)c1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[C@H]3SCCS[C@@H]13)CCC2 ZINC000810228717 659967492 /nfs/dbraw/zinc/96/74/92/659967492.db2.gz JZPYABMBRQMUOG-VQHPVUNQSA-N 1 0 384.592 2.681 20 0 GFADRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)c1cc(C(F)(F)F)cc(Cl)n1 ZINC000810433275 659973240 /nfs/dbraw/zinc/97/32/40/659973240.db2.gz CCWIGJJDMNWIDO-LBPRGKRZSA-N 1 0 379.810 2.937 20 0 GFADRO Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)c1c(Br)nnn1C ZINC000810621197 659980078 /nfs/dbraw/zinc/98/00/78/659980078.db2.gz LHDAKYSYKAHFIY-UHFFFAOYSA-N 1 0 378.274 2.734 20 0 GFADRO Cc1cc(Br)cc(C(=O)O[C@@H]2CCCN(c3cc[nH+]c(N)n3)C2)c1 ZINC000810767943 659985020 /nfs/dbraw/zinc/98/50/20/659985020.db2.gz ATXXCRWXIPBIKU-CQSZACIVSA-N 1 0 391.269 2.956 20 0 GFADRO O=C(Cc1cc2c(cc1Br)OCCO2)O[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000810839963 659988355 /nfs/dbraw/zinc/98/83/55/659988355.db2.gz CXYONYUMNIGZHQ-UONOGXRCSA-N 1 0 396.281 2.933 20 0 GFADRO O=C(OCCc1cnc2c(Br)cnn2c1)c1ccc2c[nH+]cn2c1 ZINC000811162940 660002184 /nfs/dbraw/zinc/00/21/84/660002184.db2.gz PYRBUBVYLHUJEC-UHFFFAOYSA-N 1 0 386.209 2.539 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)NC[C@@H](O)c2cccc(Br)c2)C1 ZINC000811505973 660010885 /nfs/dbraw/zinc/01/08/85/660010885.db2.gz VCCGCDXXDPUMBB-PBHICJAKSA-N 1 0 387.293 2.811 20 0 GFADRO C[N@@H+]1CC[C@H](C(=O)N2CCC[C@@H]([C@H](O)c3ccc(Br)cc3)C2)C1 ZINC000811611976 660013567 /nfs/dbraw/zinc/01/35/67/660013567.db2.gz WFXUSKHBVSQUOL-HLLBOEOZSA-N 1 0 381.314 2.673 20 0 GFADRO CCN(C[C@H](C)OC)Cn1c2ccc(I)cc2oc1=O ZINC000812302779 660023076 /nfs/dbraw/zinc/02/30/76/660023076.db2.gz YMQWEWPOIXECBA-JTQLQIEISA-N 1 0 390.221 2.513 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3cnnn3-c3c(Cl)cccc3Cl)C[C@@H]2C1 ZINC000812330951 660024478 /nfs/dbraw/zinc/02/44/78/660024478.db2.gz UKKXKYUALDPXCG-NEPJUHHUSA-N 1 0 380.279 2.598 20 0 GFADRO CCC[N@H+](CC)C[C@@H](C)NC(=O)c1cn(-c2ccccc2Br)nn1 ZINC000812385452 660026096 /nfs/dbraw/zinc/02/60/96/660026096.db2.gz BHQOARWQYFHASI-CYBMUJFWSA-N 1 0 394.317 2.880 20 0 GFADRO CN(CC(F)(F)Br)C(=O)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000813765083 660064019 /nfs/dbraw/zinc/06/40/19/660064019.db2.gz LIMNGWXAMGRUFX-UHFFFAOYSA-N 1 0 390.272 2.645 20 0 GFADRO C[C@@H](CNC(=O)/C=C\CN(C)CC(F)(F)F)[N@@H+]1CCc2sccc2C1 ZINC000814480485 660086498 /nfs/dbraw/zinc/08/64/98/660086498.db2.gz RRPJAEDRMCVDLR-SCOBNMCVSA-N 1 0 375.460 2.661 20 0 GFADRO Cc1nc2n(n1)C[C@H]([NH2+]C[C@@](C)(O)c1ccc(Br)cc1Cl)CC2 ZINC000815040593 660106064 /nfs/dbraw/zinc/10/60/64/660106064.db2.gz IEMLJENVSISMAD-MLGOLLRUSA-N 1 0 399.720 2.815 20 0 GFADRO CNC(=O)[C@H](C)C[N@H+](C)C[C@](C)(O)c1ccc(Br)cc1Cl ZINC000815056837 660108003 /nfs/dbraw/zinc/10/80/03/660108003.db2.gz BQJGYCQZCHOYJO-BMIGLBTASA-N 1 0 377.710 2.624 20 0 GFADRO CCn1nc(C)c(C(=O)N(CC[NH+](C)C)Cc2ccc(Br)cc2)n1 ZINC000815138457 660114206 /nfs/dbraw/zinc/11/42/06/660114206.db2.gz RNWRSMYOMVVNGI-UHFFFAOYSA-N 1 0 394.317 2.573 20 0 GFADRO Cn1nnc(Br)c1COC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000816146426 660146559 /nfs/dbraw/zinc/14/65/59/660146559.db2.gz BHBXVUSUQRQOCP-UHFFFAOYSA-N 1 0 393.285 2.921 20 0 GFADRO OC[C@@]1([C@@H]([NH2+]Cc2ccccc2I)C2CC2)CCCO1 ZINC000816666568 660164697 /nfs/dbraw/zinc/16/46/97/660164697.db2.gz QCRAWRPRLAFFRO-JKSUJKDBSA-N 1 0 387.261 2.701 20 0 GFADRO O=C(NCC1CC[NH2+]CC1)N1CCO[C@@H](c2ccccc2Br)C1 ZINC000841923633 661317753 /nfs/dbraw/zinc/31/77/53/661317753.db2.gz MIWJGTNCTKNAMJ-MRXNPFEDSA-N 1 0 382.302 2.532 20 0 GFADRO CN(C[C@H](O)c1ccccc1Br)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000841969640 661318566 /nfs/dbraw/zinc/31/85/66/661318566.db2.gz MKJPJRFIXWEROC-HNNXBMFYSA-N 1 0 384.318 2.514 20 0 GFADRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N1CCO[C@@H](c2ccccc2Br)C1 ZINC000841988505 661318900 /nfs/dbraw/zinc/31/89/00/661318900.db2.gz LADDGIMIFDLBOV-DAXOMENPSA-N 1 0 382.302 2.530 20 0 GFADRO COC(=O)c1ccc(CNC(=O)N[C@@H](C[NH3+])C2CCCC2)c(Br)c1 ZINC000841987052 661319012 /nfs/dbraw/zinc/31/90/12/661319012.db2.gz PUMMMJSPEJCPNA-HNNXBMFYSA-N 1 0 398.301 2.552 20 0 GFADRO CCN(Cc1ccc(Cl)s1)C(=O)C(=O)NCc1ccc(CC[NH3+])cc1 ZINC000842230973 661329482 /nfs/dbraw/zinc/32/94/82/661329482.db2.gz LVTKEHPEZDPKHQ-UHFFFAOYSA-N 1 0 379.913 2.568 20 0 GFADRO C[NH2+]C[C@H](C)c1noc(CCC(=O)c2cc(Br)ccc2OC)n1 ZINC000842577957 661344163 /nfs/dbraw/zinc/34/41/63/661344163.db2.gz RZJXCHNKVJJXON-JTQLQIEISA-N 1 0 382.258 2.979 20 0 GFADRO O=c1ccn(C[N@@H+]2CCO[C@]3(CCSC3)C2)c2c(Br)cccc12 ZINC000842619371 661345625 /nfs/dbraw/zinc/34/56/25/661345625.db2.gz GNYYDYUFISVUOH-QGZVFWFLSA-N 1 0 395.322 2.929 20 0 GFADRO Ic1ccc(OCc2nc([C@@H]3CCC[NH2+]C3)no2)cc1 ZINC000842663259 661347892 /nfs/dbraw/zinc/34/78/92/661347892.db2.gz YNIMOWAZOTYPAL-SNVBAGLBSA-N 1 0 385.205 2.720 20 0 GFADRO COc1ccc2nc(Cl)ccc2c1S(=O)(=O)NCC1([NH3+])CCCCC1 ZINC000842673782 661348446 /nfs/dbraw/zinc/34/84/46/661348446.db2.gz SCUPYCWWTDGAKV-UHFFFAOYSA-N 1 0 383.901 2.837 20 0 GFADRO COc1ccc2nc(Cl)ccc2c1S(=O)(=O)N[C@@](C)(C[NH3+])CC(C)C ZINC000842722802 661351279 /nfs/dbraw/zinc/35/12/79/661351279.db2.gz OESWQXZIVXTYLL-QGZVFWFLSA-N 1 0 385.917 2.939 20 0 GFADRO COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N1CCCC[C@H]1CC[NH3+] ZINC000842860992 661357578 /nfs/dbraw/zinc/35/75/78/661357578.db2.gz YMBRFYOFMWQFSC-HIFRSBDPSA-N 1 0 390.933 2.646 20 0 GFADRO C[C@](O)(C[NH2+]C[C@@H](CO)Cc1ccco1)c1ccc(Br)cc1F ZINC000843058900 661365606 /nfs/dbraw/zinc/36/56/06/661365606.db2.gz BKGJRPRSYLSMHJ-SJCJKPOMSA-N 1 0 386.261 2.830 20 0 GFADRO Cc1cccc(OC[C@H](O)C[NH2+]C[C@@H](O)c2cccc(Br)c2)c1 ZINC000843068429 661366117 /nfs/dbraw/zinc/36/61/17/661366117.db2.gz JKXODFIZOQOMQQ-SJLPKXTDSA-N 1 0 380.282 2.820 20 0 GFADRO O[C@@H](C[NH2+]C[C@H](O)COc1cccc(Br)c1)c1cccc(F)c1 ZINC000843069415 661366136 /nfs/dbraw/zinc/36/61/36/661366136.db2.gz KMACCCCUIYASRW-RDJZCZTQSA-N 1 0 384.245 2.651 20 0 GFADRO C[C@@](O)(C[NH2+][C@H](CO)Cc1ccc(O)cc1)c1ccc(Br)cc1F ZINC000843068465 661366161 /nfs/dbraw/zinc/36/61/61/661366161.db2.gz KLZBZERCEAQDTM-KBXCAEBGSA-N 1 0 398.272 2.695 20 0 GFADRO COc1ccc([C@H](CO)C[NH2+]C[C@H](O)c2ccc(F)c(Br)c2)cc1 ZINC000843093177 661367418 /nfs/dbraw/zinc/36/74/18/661367418.db2.gz DUJJNRSIBSTEIV-KSSFIOAISA-N 1 0 398.272 2.996 20 0 GFADRO O[C@@H](C[NH2+]C[C@@H](O)Cc1cccc(F)c1)c1ccc(F)c(Br)c1 ZINC000843102893 661368086 /nfs/dbraw/zinc/36/80/86/661368086.db2.gz XAHKHGVFXLJYDE-YOEHRIQHSA-N 1 0 386.236 2.954 20 0 GFADRO C[C@@](O)(C[NH2+][C@@H](CO)Cc1ccncc1)c1ccc(Br)cc1Cl ZINC000843110505 661368545 /nfs/dbraw/zinc/36/85/45/661368545.db2.gz NAGYQXUZXWZHHU-RHSMWYFYSA-N 1 0 399.716 2.898 20 0 GFADRO OCC1([C@H]([NH2+]C[C@H](O)c2ccccc2Br)[C@H]2CCCO2)CCC1 ZINC000843119222 661370050 /nfs/dbraw/zinc/37/00/50/661370050.db2.gz RPSGWMNCVQDKEI-GVDBMIGSSA-N 1 0 384.314 2.782 20 0 GFADRO Brc1cc2c(cc1Cc1noc(CC[C@@H]3CC[NH2+]C3)n1)OCO2 ZINC000843202192 661371934 /nfs/dbraw/zinc/37/19/34/661371934.db2.gz ALBJPRZWTATAOM-SNVBAGLBSA-N 1 0 380.242 2.694 20 0 GFADRO C[C@]1(c2nc(Cc3cc(Br)c4c(c3)OCCCO4)no2)CC[NH2+]C1 ZINC000843202523 661372299 /nfs/dbraw/zinc/37/22/99/661372299.db2.gz HANQVVSKTZZXDR-KRWDZBQOSA-N 1 0 394.269 2.835 20 0 GFADRO O=C(Cc1noc(C[C@H]2CSCC[NH2+]2)n1)Nc1ccc(Cl)cc1Cl ZINC000843218092 661373370 /nfs/dbraw/zinc/37/33/70/661373370.db2.gz WYZDIMCIYQQSAC-JTQLQIEISA-N 1 0 387.292 2.805 20 0 GFADRO O=C(Cc1noc([C@H]2CC23CC[NH2+]CC3)n1)Nc1ccccc1Br ZINC000843218972 661373401 /nfs/dbraw/zinc/37/34/01/661373401.db2.gz NKUJFHLQXRRUQW-LLVKDONJSA-N 1 0 391.269 2.870 20 0 GFADRO CN(Cc1cc(Br)cs1)C(=O)CNc1ccc(OCC[NH3+])cc1 ZINC000843365208 661378758 /nfs/dbraw/zinc/37/87/58/661378758.db2.gz AWOACTWJAIXZGN-UHFFFAOYSA-N 1 0 398.326 2.919 20 0 GFADRO C[C@H](C[C@H](C)NC(=O)OC(C)(C)C)[NH2+]Cc1cc(Br)nn1C ZINC000843417395 661380801 /nfs/dbraw/zinc/38/08/01/661380801.db2.gz SVFAPNULBBAOPA-MNOVXSKESA-N 1 0 375.311 2.964 20 0 GFADRO C[NH2+][C@H](CC(C)(C)C)C(=O)Nc1cc(Cl)ccc1OCCS(C)(=O)=O ZINC000843439298 661381703 /nfs/dbraw/zinc/38/17/03/661381703.db2.gz NXHFXWVZSHCHMZ-CQSZACIVSA-N 1 0 390.933 2.726 20 0 GFADRO O=C(/C=C\c1ccc(I)o1)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000843508570 661383770 /nfs/dbraw/zinc/38/37/70/661383770.db2.gz XRLDQKHOKHVRKT-MZBZXASESA-N 1 0 386.233 2.688 20 0 GFADRO C[C@@H](CC(=O)N1CCCC2(CC[NH+](C)CC2)C1)n1cc(Br)cn1 ZINC000843875710 661395376 /nfs/dbraw/zinc/39/53/76/661395376.db2.gz ADQBSAYDGVTTCT-AWEZNQCLSA-N 1 0 383.334 2.931 20 0 GFADRO C[NH+]1CCC2(CC1)CN(C(=O)c1cc3c(cccc3Br)[nH]1)CCO2 ZINC000844095788 661404177 /nfs/dbraw/zinc/40/41/77/661404177.db2.gz DHDWBIUPWHJBOT-UHFFFAOYSA-N 1 0 392.297 2.867 20 0 GFADRO CC(=O)Nc1ccc(OC[C@H](O)C[NH2+]CCC[C@H]2CC2(Cl)Cl)cc1 ZINC000844275963 661412199 /nfs/dbraw/zinc/41/21/99/661412199.db2.gz AFXJRXUQKODSJF-DZGCQCFKSA-N 1 0 375.296 2.948 20 0 GFADRO COC/C(C)=C/C(=O)Nc1cc(Br)ccc1N1CC[NH+](C)CC1 ZINC000844301625 661413802 /nfs/dbraw/zinc/41/38/02/661413802.db2.gz ZCVAOAMPCKYRFW-JLHYYAGUSA-N 1 0 382.302 2.732 20 0 GFADRO CCOC[C@H]1CC[N@H+](CN2CC(c3ccc(Br)cc3)=CC2=O)C1 ZINC000844694553 661434356 /nfs/dbraw/zinc/43/43/56/661434356.db2.gz PHLHNARPOSCZRG-AWEZNQCLSA-N 1 0 379.298 2.991 20 0 GFADRO C[NH+](C)[C@@H]1CCCN(CN2CC(c3ccc(Br)cc3)=CC2=O)C1 ZINC000844695577 661434663 /nfs/dbraw/zinc/43/46/63/661434663.db2.gz WEUHOCQKCKBLDJ-QGZVFWFLSA-N 1 0 378.314 2.658 20 0 GFADRO C[C@@H](C[NH+]1CCCC1)OC(=O)Cc1cc2c(cc1Br)OCCO2 ZINC000845665036 661485776 /nfs/dbraw/zinc/48/57/76/661485776.db2.gz WFHSWMYHJRLJHQ-LBPRGKRZSA-N 1 0 384.270 2.790 20 0 GFADRO CCON(C)C(=O)C[NH2+]Cc1ccc(Br)c(Br)c1 ZINC000846062600 661529060 /nfs/dbraw/zinc/52/90/60/661529060.db2.gz IOWKZGGQKOXKLU-UHFFFAOYSA-N 1 0 380.080 2.711 20 0 GFADRO C[C@]1(CC[NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)C[C@]1(F)Cl ZINC000846069548 661529428 /nfs/dbraw/zinc/52/94/28/661529428.db2.gz FEHXVWNYQXVONU-QWHCGFSZSA-N 1 0 399.713 2.891 20 0 GFADRO [NH3+]C[C@]12CCC[C@H]1CN(C(=O)Nc1cc3c(cc1Br)OCCO3)C2 ZINC000846301627 661543882 /nfs/dbraw/zinc/54/38/82/661543882.db2.gz XWHYSIOSWNVDAU-GTNSWQLSSA-N 1 0 396.285 2.813 20 0 GFADRO Cn1cnnc1SCC(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000846483004 661552944 /nfs/dbraw/zinc/55/29/44/661552944.db2.gz RHWRURSZLYEUML-UHFFFAOYSA-N 1 0 377.539 2.734 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(C(=O)/C=C/c3ccc(Br)o3)C2)C1 ZINC000846690424 661562003 /nfs/dbraw/zinc/56/20/03/661562003.db2.gz QDZCOLMNIUPMCY-XEOVRLIASA-N 1 0 383.286 2.800 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)NCC[C@]1(C)C[C@@]1(F)Cl ZINC000846722698 661562646 /nfs/dbraw/zinc/56/26/46/661562646.db2.gz UUYHQUCJGAYQMT-OLMNPRSZSA-N 1 0 375.916 2.578 20 0 GFADRO CCN1C[C@@H](C[NH2+]C2(c3ccc(Br)cc3)CCOCC2)OC1=O ZINC000846821533 661566770 /nfs/dbraw/zinc/56/67/70/661566770.db2.gz ULEFDKQHRPPDHG-OAHLLOKOSA-N 1 0 383.286 2.885 20 0 GFADRO CCN1C[C@H](C[N@H+](CCC(=O)OC)Cc2cccc(Br)c2)OC1=O ZINC000846871782 661568381 /nfs/dbraw/zinc/56/83/81/661568381.db2.gz JCBBMFCDSOGUAJ-HNNXBMFYSA-N 1 0 399.285 2.655 20 0 GFADRO COCCC[NH+]1CCC(NC(=O)c2cnc(Cl)c(Br)c2)CC1 ZINC000847428359 661592137 /nfs/dbraw/zinc/59/21/37/661592137.db2.gz NZOGOCOEZXBLLC-UHFFFAOYSA-N 1 0 390.709 2.728 20 0 GFADRO CCO/C=C\C(=O)NC1CC[NH+](CCOc2ccc(Br)cc2)CC1 ZINC000847508976 661595264 /nfs/dbraw/zinc/59/52/64/661595264.db2.gz QHXRKLSZLBGOEZ-LCYFTJDESA-N 1 0 397.313 2.959 20 0 GFADRO C[C@@H]1CN(C(=O)c2nc(Cl)sc2Cl)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000847630691 661602758 /nfs/dbraw/zinc/60/27/58/661602758.db2.gz QPPPXGUPKXSGMB-GHMZBOCLSA-N 1 0 377.341 2.548 20 0 GFADRO COc1ccc2nc(Cl)ccc2c1S(=O)(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000848476040 661652945 /nfs/dbraw/zinc/65/29/45/661652945.db2.gz XEGLFJSIVJAJRA-TXEJJXNPSA-N 1 0 383.901 2.515 20 0 GFADRO Brc1c(CN2CCC[C@@H]([NH+]3CCOCC3)CC2)nc2ccccn12 ZINC000848930242 661689525 /nfs/dbraw/zinc/68/95/25/661689525.db2.gz PEIJPDNBPTXMPI-OAHLLOKOSA-N 1 0 393.329 2.784 20 0 GFADRO [NH2+]=C(NCc1nc(-c2cccc(Br)c2)no1)N1CCSCC1 ZINC000849111424 661692960 /nfs/dbraw/zinc/69/29/60/661692960.db2.gz ZWRMXCMUMGBHQT-UHFFFAOYSA-N 1 0 382.287 2.572 20 0 GFADRO CO[C@H](C[NH2+]C[C@@](C)(O)c1ccc(Br)cc1Cl)[C@H]1CCOC1 ZINC000849326375 661705791 /nfs/dbraw/zinc/70/57/91/661705791.db2.gz ABRNQBRXCUCFMY-IUIKQTSFSA-N 1 0 392.721 2.951 20 0 GFADRO O=C1N[C@@H](c2ccccc2Br)C(=O)N1CCC[NH+]1CCCCC1 ZINC000849353028 661708967 /nfs/dbraw/zinc/70/89/67/661708967.db2.gz VXOZRUDGLKDLLV-HNNXBMFYSA-N 1 0 380.286 2.918 20 0 GFADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)Nc2ccc(Br)cc2)cn1 ZINC000849482855 661733540 /nfs/dbraw/zinc/73/35/40/661733540.db2.gz UDNTZQAVTUNIPP-HOTGVXAUSA-N 1 0 377.286 2.857 20 0 GFADRO Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)Nc2cscc2Br)cn1 ZINC000849600912 661735101 /nfs/dbraw/zinc/73/51/01/661735101.db2.gz SCMCUKCFLBRISB-NWDGAFQWSA-N 1 0 383.315 2.918 20 0 GFADRO Cc1c(Br)cncc1C[NH2+]CCS(=O)(=O)Cc1ccccc1 ZINC000850077526 661764865 /nfs/dbraw/zinc/76/48/65/661764865.db2.gz NZNYLGNBUUUBON-UHFFFAOYSA-N 1 0 383.311 2.857 20 0 GFADRO CC(C)(C)OC(=O)c1cccc(C[NH2+]CCS(=O)(=O)CC(F)(F)F)c1 ZINC000850364435 661772234 /nfs/dbraw/zinc/77/22/34/661772234.db2.gz FSVMSPDTRCLIJX-UHFFFAOYSA-N 1 0 381.416 2.709 20 0 GFADRO COc1ccc(C[NH2+]CCS(=O)(=O)CC(F)(F)F)cc1Br ZINC000850364256 661772414 /nfs/dbraw/zinc/77/24/14/661772414.db2.gz WPHWGCCBYFHNOR-UHFFFAOYSA-N 1 0 390.221 2.524 20 0 GFADRO O=S1(=O)CCC([NH2+][C@@H]2CSCc3ccc(Br)cc32)CC1 ZINC000850376611 661773572 /nfs/dbraw/zinc/77/35/72/661773572.db2.gz YZONTNDKAKHMDN-CQSZACIVSA-N 1 0 376.341 2.904 20 0 GFADRO CCOc1cc(C[NH2+]CC2SCCS2)ccc1O[C@H](C)C(=O)N(C)C ZINC000850400605 661775045 /nfs/dbraw/zinc/77/50/45/661775045.db2.gz IDWHBOLVPXURKC-CYBMUJFWSA-N 1 0 384.567 2.837 20 0 GFADRO CCn1nc(C)c(CNc2nc3cc(I)ccc3[nH]2)n1 ZINC000850405358 661775046 /nfs/dbraw/zinc/77/50/46/661775046.db2.gz MDLUDXSBESTICR-UHFFFAOYSA-N 1 0 382.209 2.699 20 0 GFADRO CCOC(=O)C(F)(F)[C@H]1CCC[C@H]([NH2+]CCC2(CS(C)(=O)=O)CC2)C1 ZINC000850486021 661778320 /nfs/dbraw/zinc/77/83/20/661778320.db2.gz QKWPDXQINDMHCM-KBPBESRZSA-N 1 0 381.485 2.548 20 0 GFADRO C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]CC[S@@](=O)CC(F)(F)F ZINC000850490689 661778388 /nfs/dbraw/zinc/77/83/88/661778388.db2.gz FIPAAVPDOGCGTE-XELLLNAOSA-N 1 0 398.878 2.978 20 0 GFADRO C[C@H]([NH2+]CC[S@@](=O)CC(F)(F)F)c1ccc(NC(=O)NC2CC2)cc1 ZINC000850491360 661778924 /nfs/dbraw/zinc/77/89/24/661778924.db2.gz OJXIAJRHDSGDOH-JPQMIFPKSA-N 1 0 377.432 2.932 20 0 GFADRO C[C@@H](Cc1ccccc1)N1CCC([NH2+]CC[S@](=O)CC(F)(F)F)CC1 ZINC000850492578 661779345 /nfs/dbraw/zinc/77/93/45/661779345.db2.gz FDOHPMQTGGPTPZ-MQNRADLISA-N 1 0 376.488 2.983 20 0 GFADRO CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@@H]1[NH2+]CC[S@](=O)CC(F)(F)F ZINC000850497094 661779495 /nfs/dbraw/zinc/77/94/95/661779495.db2.gz RUQRCTQVSIBLME-IZEVZFMRSA-N 1 0 386.480 2.971 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2cc(Cl)c(N)c(Cl)c2)C1 ZINC000850504585 661779796 /nfs/dbraw/zinc/77/97/96/661779796.db2.gz AGOBXYXTGKHTCD-SNVBAGLBSA-N 1 0 387.311 2.751 20 0 GFADRO COc1cc([C@@H](C)[NH2+]CCO[C@@H]2CC2(F)F)ccc1S(=O)(=O)C(F)F ZINC000850518835 661780485 /nfs/dbraw/zinc/78/04/85/661780485.db2.gz FKIUIZYWVUDTJI-NOZJJQNGSA-N 1 0 385.379 2.766 20 0 GFADRO COc1cc([C@@H](C)[NH2+]C[C@]23OCCC[C@H]2C3(F)F)ccc1S(C)(=O)=O ZINC000850533564 661781161 /nfs/dbraw/zinc/78/11/61/661781161.db2.gz BSDZUXHWMCWWPS-LYRGGWFBSA-N 1 0 375.437 2.564 20 0 GFADRO COc1cc([C@@H](C)[NH2+]CC2CCC(O)CC2)ccc1S(=O)(=O)C(F)F ZINC000850556602 661781606 /nfs/dbraw/zinc/78/16/06/661781606.db2.gz SDTQLYFVZIHAAC-LKSINWNRSA-N 1 0 377.453 2.893 20 0 GFADRO O=S(=O)(N[C@@H]1C[NH2+]CCC1(F)F)c1cc(Cl)ccc1OC(F)(F)F ZINC000850587945 661782337 /nfs/dbraw/zinc/78/23/37/661782337.db2.gz ONRHLYIEWHMHIM-SNVBAGLBSA-N 1 0 394.749 2.514 20 0 GFADRO O=S(=O)(c1cnc(Cl)c(Cl)c1)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000850588897 661782433 /nfs/dbraw/zinc/78/24/33/661782433.db2.gz HQLAIMJSMJYICH-LBPRGKRZSA-N 1 0 378.325 2.789 20 0 GFADRO CC[NH+](CC)Cc1ccc(NC(=O)C(=O)NCCC2SCCS2)cc1 ZINC000850703374 661787592 /nfs/dbraw/zinc/78/75/92/661787592.db2.gz RQAIFKRUHYTAIN-UHFFFAOYSA-N 1 0 381.567 2.779 20 0 GFADRO CS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCCC[C@H]2[C@@H]2CCC[NH2+]C2)c1 ZINC000850715737 661788387 /nfs/dbraw/zinc/78/83/87/661788387.db2.gz NGWDTXXIMPVCJK-DYVFJYSZSA-N 1 0 384.929 2.738 20 0 GFADRO CS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC([C@H]3CCC[NH2+]C3)CC2)c1 ZINC000850720726 661788463 /nfs/dbraw/zinc/78/84/63/661788463.db2.gz GLYINDKUPKCEGH-AWEZNQCLSA-N 1 0 384.929 2.595 20 0 GFADRO Cn1c(Cl)cnc1-c1csc(NC(=O)N2CC[C@]3(C2)CCC[NH2+]C3)n1 ZINC000850754264 661790470 /nfs/dbraw/zinc/79/04/70/661790470.db2.gz NLJRTJKXRIRJIN-MRXNPFEDSA-N 1 0 380.905 2.804 20 0 GFADRO C[C@]1(C(=O)N[C@@H](C[NH3+])C2CCCCC2)CC1(Br)Br ZINC000851633874 661826986 /nfs/dbraw/zinc/82/69/86/661826986.db2.gz WZOLZBXBWDUHIS-CMPLNLGQSA-N 1 0 382.140 2.906 20 0 GFADRO C[C@H]1CCCN(C(=O)c2cccc(S(=O)(=O)C(F)(F)F)c2)[C@@H]1CC[NH3+] ZINC000851642151 661827447 /nfs/dbraw/zinc/82/74/47/661827447.db2.gz SXRZKNJVTUCYET-SMDDNHRTSA-N 1 0 378.416 2.570 20 0 GFADRO O=C(N[C@@H]1CC[C@@H]2SCCS[C@@H]12)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000851658609 661827828 /nfs/dbraw/zinc/82/78/28/661827828.db2.gz HGVPXILYPAZFRY-DZVNLGKHSA-N 1 0 377.579 2.811 20 0 GFADRO Cc1ccc(N)cc1S(=O)(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000851761783 661830874 /nfs/dbraw/zinc/83/08/74/661830874.db2.gz AUWZGNAVGARJHT-UHFFFAOYSA-N 1 0 383.583 2.607 20 0 GFADRO CC[N@H+](CCn1cnc(Br)n1)CC1CCN(c2ccccn2)CC1 ZINC000851793295 661832324 /nfs/dbraw/zinc/83/23/24/661832324.db2.gz UJWFXNCBMLAWLT-UHFFFAOYSA-N 1 0 393.333 2.674 20 0 GFADRO C[C@H]1CCN(CCn2cnc(Br)n2)CC[N@@H+]1Cc1ccccc1 ZINC000851792475 661832385 /nfs/dbraw/zinc/83/23/85/661832385.db2.gz MJHXPTCMMKSART-HNNXBMFYSA-N 1 0 378.318 2.637 20 0 GFADRO C[N@H+](CCn1cnc(Br)n1)CC(C)(C)CNC(=O)OC(C)(C)C ZINC000851799215 661832563 /nfs/dbraw/zinc/83/25/63/661832563.db2.gz WAKLNPRSJOTAFE-UHFFFAOYSA-N 1 0 390.326 2.523 20 0 GFADRO CC(=O)c1nc(CC[N@@H+](C)C[C@@H](O)c2ccccc2Br)[nH]c1C ZINC000852150321 661854655 /nfs/dbraw/zinc/85/46/55/661854655.db2.gz VCPNDFWHPJRNTC-OAHLLOKOSA-N 1 0 380.286 2.891 20 0 GFADRO CC(C)(C)OCCC[NH+]1CCC(n2nncc2I)CC1 ZINC000852533495 661866809 /nfs/dbraw/zinc/86/68/09/661866809.db2.gz ZTJSZMHZQZSDJL-UHFFFAOYSA-N 1 0 392.285 2.725 20 0 GFADRO O=C(N[C@H]1CC[N@@H+](C2CCCCC2)C1)N1CCn2ncc(Br)c2C1 ZINC000852586255 661867491 /nfs/dbraw/zinc/86/74/91/661867491.db2.gz FLVHQUBPFIPCGI-ZDUSSCGKSA-N 1 0 396.333 2.578 20 0 GFADRO CCC[N@@H+]1CC[C@H](NC(=O)NCc2ccc(C(=O)OC)cc2Br)C1 ZINC000852628342 661869216 /nfs/dbraw/zinc/86/92/16/661869216.db2.gz DXSHEBNOXKWTER-AWEZNQCLSA-N 1 0 398.301 2.519 20 0 GFADRO O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)N1Cc2ccc(Br)cc2C1 ZINC000852638062 661869341 /nfs/dbraw/zinc/86/93/41/661869341.db2.gz LPOCLQCCPXJBPT-QGZVFWFLSA-N 1 0 394.313 2.728 20 0 GFADRO O=C(N[C@@H]1C[NH2+]CCC1(F)F)c1cc(-c2cccc(Br)c2)no1 ZINC000852832088 661875415 /nfs/dbraw/zinc/87/54/15/661875415.db2.gz DTRSMMFPBFGELG-CYBMUJFWSA-N 1 0 386.196 2.831 20 0 GFADRO CCc1ccc([C@H]2C[NH2+]CCN2C(=O)c2c(C)nn(C)c2Br)cc1 ZINC000852877073 661876189 /nfs/dbraw/zinc/87/61/89/661876189.db2.gz BFRKKUCWTFWMAV-OAHLLOKOSA-N 1 0 391.313 2.840 20 0 GFADRO [NH3+]CC12CCC(CC1)CN2C(=O)c1cnn(-c2ccccc2)c1Br ZINC000852893744 661876673 /nfs/dbraw/zinc/87/66/73/661876673.db2.gz JDJZIEUPHIFOCI-UHFFFAOYSA-N 1 0 389.297 2.978 20 0 GFADRO CC(C)[C@@H](C(=O)N1CC[C@@]2(C)[C@@H](C1)C2(Br)Br)[C@H](C)[NH3+] ZINC000852901631 661876790 /nfs/dbraw/zinc/87/67/90/661876790.db2.gz MFHLUTMYEFYBCB-WGBDABJCSA-N 1 0 396.167 2.960 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)N1CCn2ncc(Br)c2C1)c1cccs1 ZINC000853013175 661878548 /nfs/dbraw/zinc/87/85/48/661878548.db2.gz OFIMYZVVTKDPQD-LBPRGKRZSA-N 1 0 398.330 2.535 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CNC(=S)NC[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC000853033084 661879162 /nfs/dbraw/zinc/87/91/62/661879162.db2.gz ZESYIAKTECPNMQ-IUODEOHRSA-N 1 0 376.353 2.975 20 0 GFADRO COCC[NH+]1CCC(Nc2nc(Cl)nc3c(Br)c[nH]c32)CC1 ZINC000853234774 661885696 /nfs/dbraw/zinc/88/56/96/661885696.db2.gz WPLAIVFXUYPQFG-UHFFFAOYSA-N 1 0 388.697 2.897 20 0 GFADRO CCC[N@H+](C)CC(C)(C)NC(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000854213967 661918859 /nfs/dbraw/zinc/91/88/59/661918859.db2.gz ZCQLIEMEVQIFFE-UHFFFAOYSA-N 1 0 377.457 2.925 20 0 GFADRO O=C(NC[C@H]1C[N@@H+]2CCN1CCC2)C(F)(F)c1cccc(Cl)c1Cl ZINC000854354340 661927894 /nfs/dbraw/zinc/92/78/94/661927894.db2.gz QDEORIFKYGDCSQ-NSHDSACASA-N 1 0 378.250 2.591 20 0 GFADRO CN(C)CC[N@H+](C)CCCNC(=O)C(F)(F)c1ccc(Br)cc1 ZINC000854489838 661936306 /nfs/dbraw/zinc/93/63/06/661936306.db2.gz OYTVZLRSQKFOTA-UHFFFAOYSA-N 1 0 392.288 2.541 20 0 GFADRO C[N@@H+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)c1c(Cl)nc2cc(Cl)ccn21 ZINC000854643866 661945276 /nfs/dbraw/zinc/94/52/76/661945276.db2.gz ZMAULPBPRMQXPM-OLZOCXBDSA-N 1 0 383.279 2.576 20 0 GFADRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)c3cnn(C(C)(C)C)c3Br)C2)C1 ZINC000854658528 661946177 /nfs/dbraw/zinc/94/61/77/661946177.db2.gz AGQVSHKPJZDNIP-QGZVFWFLSA-N 1 0 383.334 2.959 20 0 GFADRO Cn1ncc(C(=O)N2CCC3(CCC([NH+](C)C)CC3)CC2)c1Br ZINC000854676239 661947277 /nfs/dbraw/zinc/94/72/77/661947277.db2.gz HDQWCLCBHUUUCO-UHFFFAOYSA-N 1 0 383.334 2.909 20 0 GFADRO C[C@@H]1CN(C(=O)c2cc(Br)n[nH]2)CC[N@H+](Cc2ccccc2)C1 ZINC000854843861 661956410 /nfs/dbraw/zinc/95/64/10/661956410.db2.gz ZPHITSCLDBERLQ-ZDUSSCGKSA-N 1 0 377.286 2.766 20 0 GFADRO C[N@H+](CCCCNC(=O)[C@]1(C)CC1(Br)Br)C1CC1 ZINC000854899126 661960437 /nfs/dbraw/zinc/96/04/37/661960437.db2.gz CYZRWSYWBZGBJD-LBPRGKRZSA-N 1 0 382.140 2.873 20 0 GFADRO O=C(NCC[S@](=O)CC(F)(F)F)c1cccc(C[NH+]2CCCCC2)c1 ZINC000855265454 661979103 /nfs/dbraw/zinc/97/91/03/661979103.db2.gz KMBTUHYVXYSZFZ-VWLOTQADSA-N 1 0 376.444 2.713 20 0 GFADRO Cc1ccc(Br)nc1C(=O)N1CC2(CCCC2)OC[C@@H]1C[NH+](C)C ZINC000856410623 662032533 /nfs/dbraw/zinc/03/25/33/662032533.db2.gz LHWBQLMKCAGQMU-AWEZNQCLSA-N 1 0 396.329 2.868 20 0 GFADRO CN(Cc1ccccc1Br)C(=O)CC[NH2+]Cc1cn(C)nc1Cl ZINC000856768767 662043459 /nfs/dbraw/zinc/04/34/59/662043459.db2.gz BPNFBEDFHMKGEM-UHFFFAOYSA-N 1 0 399.720 2.974 20 0 GFADRO CC(C)(C[NH+]1CCCC1)NC(=O)CCN1C(=S)N=NC1c1cccs1 ZINC000857283120 662071931 /nfs/dbraw/zinc/07/19/31/662071931.db2.gz OECSXBDAJLLDJA-UHFFFAOYSA-N 1 0 379.555 2.676 20 0 GFADRO C[NH+](C)[C@H]1CCc2cc(Br)ccc2N(C(=O)CC2OCCCO2)C1 ZINC000857880474 662093171 /nfs/dbraw/zinc/09/31/71/662093171.db2.gz HZEKDRRQTQFYNY-HNNXBMFYSA-N 1 0 397.313 2.812 20 0 GFADRO Cn1cc(C[NH2+]C2CCN(C(=O)c3ccccc3)CC2)c(Br)n1 ZINC000858089510 662098349 /nfs/dbraw/zinc/09/83/49/662098349.db2.gz VNEDXRWXMUYBDE-UHFFFAOYSA-N 1 0 377.286 2.577 20 0 GFADRO COCO[C@@H](C)c1cc(F)c(C[NH2+]C[C@H]2COCCO2)cc1Br ZINC000858100336 662098641 /nfs/dbraw/zinc/09/86/41/662098641.db2.gz DOCQAYHTRUVYDF-AAEUAGOBSA-N 1 0 392.265 2.775 20 0 GFADRO COc1ccc(CC[NH2+]Cc2cn(C)nc2Br)c(OC)c1OC ZINC000858122689 662099789 /nfs/dbraw/zinc/09/97/89/662099789.db2.gz PHSCMNOZPJDRBH-UHFFFAOYSA-N 1 0 384.274 2.541 20 0 GFADRO C[C@@H]1C[N@@H+](CCCNC(=O)c2ccc(SC(F)(F)F)nc2)C[C@H](C)O1 ZINC000858239053 662105672 /nfs/dbraw/zinc/10/56/72/662105672.db2.gz OLXNBRVVBXSSAU-TXEJJXNPSA-N 1 0 377.432 2.923 20 0 GFADRO Cn1c(Cl)cnc1C[NH2+][C@]1(CO)CCc2cc(Br)ccc2C1 ZINC000858240233 662105925 /nfs/dbraw/zinc/10/59/25/662105925.db2.gz FJWFRNFWWVDZNR-MRXNPFEDSA-N 1 0 384.705 2.846 20 0 GFADRO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)[C@@H]2C[C@@]2(C)Br)c1 ZINC000858533440 662114379 /nfs/dbraw/zinc/11/43/79/662114379.db2.gz SXLFSDUPQBSCGH-MAUKXSAKSA-N 1 0 396.329 2.870 20 0 GFADRO COc1ccc(C[C@H](CO)CNc2cc[nH+]c(CO)c2)cc1Br ZINC000858563445 662115048 /nfs/dbraw/zinc/11/50/48/662115048.db2.gz TZGJADQFZBAUMI-ZDUSSCGKSA-N 1 0 381.270 2.608 20 0 GFADRO COc1cc([C@@H](C)[NH2+]CCN(C)CC(F)F)ccc1S(=O)(=O)C(F)F ZINC000858596065 662115741 /nfs/dbraw/zinc/11/57/41/662115741.db2.gz AJNLZUBNBGEMGM-SNVBAGLBSA-N 1 0 386.411 2.539 20 0 GFADRO COC(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)cc1Cl ZINC000858614143 662116397 /nfs/dbraw/zinc/11/63/97/662116397.db2.gz DOAJWPDRBCITKR-SRVKXCTJSA-N 1 0 389.905 2.512 20 0 GFADRO [NH3+]C[C@H]1CN(S(=O)(=O)c2cnc(Cl)c(Cl)c2)CC[C@H]1C(F)(F)F ZINC000858623945 662117020 /nfs/dbraw/zinc/11/70/20/662117020.db2.gz QFNZNQVFKLSSBI-IONNQARKSA-N 1 0 392.230 2.536 20 0 GFADRO O=C(NC[C@H](O)c1ccccc1Br)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000858872676 662125425 /nfs/dbraw/zinc/12/54/25/662125425.db2.gz ZXVYTBMKRGWSRQ-YOEHRIQHSA-N 1 0 396.329 2.799 20 0 GFADRO O=C(NCCCC[N@H+]1CCC[C@@H]1CO)OCc1ccc(Br)cc1 ZINC000859007946 662131520 /nfs/dbraw/zinc/13/15/20/662131520.db2.gz NTCXFLIDRHSEOD-MRXNPFEDSA-N 1 0 385.302 2.912 20 0 GFADRO OC[C@H]1CCC2(CCOCC2)C[N@@H+]1C[C@@H](O)c1ccccc1Br ZINC000859524145 662166334 /nfs/dbraw/zinc/16/63/34/662166334.db2.gz WMHJDNRFSWHRME-RHSMWYFYSA-N 1 0 384.314 2.736 20 0 GFADRO OC[C@@]1([NH2+]C[C@H](O)c2ccc(F)cn2)CCc2cc(Br)ccc2C1 ZINC000859574833 662168278 /nfs/dbraw/zinc/16/82/78/662168278.db2.gz SFYJZKFNAQEATI-ZWKOTPCHSA-N 1 0 395.272 2.526 20 0 GFADRO Cn1nc(C[NH2+][C@]2(CO)CCc3cc(Br)ccc3C2)cc1Cl ZINC000859577649 662168555 /nfs/dbraw/zinc/16/85/55/662168555.db2.gz YVKMDCZFIDWUAK-MRXNPFEDSA-N 1 0 384.705 2.846 20 0 GFADRO Cc1cc(Br)nc(NC(=O)N2CCC(CO[C@H]3CC[NH2+]C3)CC2)c1 ZINC000859695134 662172759 /nfs/dbraw/zinc/17/27/59/662172759.db2.gz SKIITFOPUKVWSN-AWEZNQCLSA-N 1 0 397.317 2.775 20 0 GFADRO CC(C)OCC[NH+]1CCC(NC(=O)c2cc(Br)cnc2F)CC1 ZINC000859828436 662175983 /nfs/dbraw/zinc/17/59/83/662175983.db2.gz UVZCRYBUZWSJRN-UHFFFAOYSA-N 1 0 388.281 2.602 20 0 GFADRO C[C@@H]1C[NH+](CCCCNC(=O)c2cc(Br)cnc2F)C[C@@H](C)O1 ZINC000859943074 662179752 /nfs/dbraw/zinc/17/97/52/662179752.db2.gz WVOVOFHPISPPIY-VXGBXAGGSA-N 1 0 388.281 2.602 20 0 GFADRO O=C(COC(=O)c1ccsc1C(F)(F)F)NC1CC[NH+](C2CC2)CC1 ZINC000859995197 662181229 /nfs/dbraw/zinc/18/12/29/662181229.db2.gz DVLPIARWQYFPKC-UHFFFAOYSA-N 1 0 376.400 2.667 20 0 GFADRO C[NH+](C)C[C@H]1CN(C(=O)c2cc(Br)cnc2F)c2ccccc2O1 ZINC000860058901 662185609 /nfs/dbraw/zinc/18/56/09/662185609.db2.gz KDCHRHPQGADWIV-LBPRGKRZSA-N 1 0 394.244 2.953 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2C(=O)c1cc(Br)cc(C=O)c1 ZINC000860312676 662196797 /nfs/dbraw/zinc/19/67/97/662196797.db2.gz MFPAXCWKWGUFAT-IKGGRYGDSA-N 1 0 395.297 2.585 20 0 GFADRO COCC[N@@H+]1CCC[C@H]1COC(=O)[C@H](C)Oc1ccccc1Br ZINC000861034102 662225015 /nfs/dbraw/zinc/22/50/15/662225015.db2.gz HLERFKULXZWNMK-KBPBESRZSA-N 1 0 386.286 2.870 20 0 GFADRO CO[C@H]1C[N@H+](C)[C@@](C)(COC(=O)c2cnc3ncc(Br)cc3c2)C1 ZINC000861347962 662241416 /nfs/dbraw/zinc/24/14/16/662241416.db2.gz MDSWYVDVZJCRIM-RHSMWYFYSA-N 1 0 394.269 2.658 20 0 GFADRO CC[C@H](C(=O)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1)c1ccc(Br)cc1 ZINC000861719686 662255638 /nfs/dbraw/zinc/25/56/38/662255638.db2.gz MWCILEFGHOAOKW-IKGGRYGDSA-N 1 0 381.314 2.610 20 0 GFADRO CCCC[N@H+](C)C[C@@H](C)NC(=O)c1cc(Br)c2ncc(C=O)n2c1 ZINC000861755138 662257668 /nfs/dbraw/zinc/25/76/68/662257668.db2.gz SVZUAQFYBNCOSI-GFCCVEGCSA-N 1 0 395.301 2.760 20 0 GFADRO C[N@@H+]1CCC[C@H]1[C@@H]1COCCN1C(=O)c1ccc(SC(F)(F)F)nc1 ZINC000861824228 662260072 /nfs/dbraw/zinc/26/00/72/662260072.db2.gz GFQTXXPOIPBEQP-STQMWFEESA-N 1 0 375.416 2.629 20 0 GFADRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)c3ccc(SC(F)(F)F)nc3)[C@H]2C1 ZINC000861831993 662260258 /nfs/dbraw/zinc/26/02/58/662260258.db2.gz AWORDGJJRYKTRV-QWHCGFSZSA-N 1 0 375.416 2.629 20 0 GFADRO C[NH+](C)C1CCC(NC(=O)c2cc(Br)c3ncc(C=O)n3c2)CC1 ZINC000862018897 662266796 /nfs/dbraw/zinc/26/67/96/662266796.db2.gz FWMPCKANRRZCMR-UHFFFAOYSA-N 1 0 393.285 2.512 20 0 GFADRO CCOC(=O)c1nn(C[N@H+](C)CC2(C)COC2)c2ccc(Br)cc21 ZINC000863299250 662319108 /nfs/dbraw/zinc/31/91/08/662319108.db2.gz YRWVDBJBYOYYQB-UHFFFAOYSA-N 1 0 396.285 2.901 20 0 GFADRO Cc1csc(SCc2ccccc2C(=O)NCC[N@@H+]2CC[C@@H](O)C2)n1 ZINC000863324662 662321042 /nfs/dbraw/zinc/32/10/42/662321042.db2.gz GAYNJMHMMUJSHT-OAHLLOKOSA-N 1 0 377.535 2.540 20 0 GFADRO CCC1([NH+]2CCOCC2)CCN(C(=O)c2ccc(Br)nc2)CC1 ZINC000863491949 662334641 /nfs/dbraw/zinc/33/46/41/662334641.db2.gz FHYRMQYNMYSEEL-UHFFFAOYSA-N 1 0 382.302 2.561 20 0 GFADRO C[C@@H](c1cccc(Br)c1)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000863547829 662336345 /nfs/dbraw/zinc/33/63/45/662336345.db2.gz LIUFDNLZHAUDHD-VUCTXSBTSA-N 1 0 394.313 2.767 20 0 GFADRO C[NH+](C)CCN1C[C@H](C(=O)Nc2cccc(SC(F)(F)F)c2)CC1=O ZINC000863617291 662341297 /nfs/dbraw/zinc/34/12/97/662341297.db2.gz WCLLZCMGSSYQQX-LLVKDONJSA-N 1 0 375.416 2.647 20 0 GFADRO C[N@@H+]1CCN(C(=O)[C@@]2(C)CC2(Br)Br)CCC1(C)C ZINC000864063876 662353154 /nfs/dbraw/zinc/35/31/54/662353154.db2.gz VYMAYBLXOWELPR-GFCCVEGCSA-N 1 0 382.140 2.825 20 0 GFADRO C[NH+]1C[C@@]2(C)CN(C(=O)c3cc4c(cc3Br)OCO4)C[C@]2(C)C1 ZINC000864077689 662353790 /nfs/dbraw/zinc/35/37/90/662353790.db2.gz PRDSBHFRZILRSF-IRXDYDNUSA-N 1 0 381.270 2.592 20 0 GFADRO CC[N@H+]1[C@H](C)CN(C(=O)[C@]2(C)CC2(Br)Br)C[C@@H]1C ZINC000864083680 662354072 /nfs/dbraw/zinc/35/40/72/662354072.db2.gz IQGFTGZPVRQOAC-UMNHJUIQSA-N 1 0 382.140 2.824 20 0 GFADRO C[NH+](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccccc1Br ZINC000864400033 662369846 /nfs/dbraw/zinc/36/98/46/662369846.db2.gz FQDFWTPBWWRYLE-ZDUSSCGKSA-N 1 0 386.290 2.843 20 0 GFADRO COCC[NH+]1CCC(NC(=O)[C@@H]2[C@@H]3Cc4ccc(Br)cc4[C@@H]32)CC1 ZINC000865014734 662395152 /nfs/dbraw/zinc/39/51/52/662395152.db2.gz MAOCPRSCAOBZLC-FGTMMUONSA-N 1 0 393.325 2.562 20 0 GFADRO C[NH+](C)C[C@@H](NC(=S)NC[C@@H]1CCOC1)c1cccc(C(F)(F)F)c1 ZINC000865243015 662407353 /nfs/dbraw/zinc/40/73/53/662407353.db2.gz KYCGEILWPKWAEN-SWLSCSKDSA-N 1 0 375.460 2.809 20 0 GFADRO C[NH+](C)CCNC(=S)N1CC2(CCOCC2)c2ccc(Br)cc21 ZINC000865244047 662407499 /nfs/dbraw/zinc/40/74/99/662407499.db2.gz ABHZLORUCMRMSZ-UHFFFAOYSA-N 1 0 398.370 2.753 20 0 GFADRO C[C@@H]1C[C@@H](N2C(=O)[C@@H](c3ccc(Br)s3)N(C)C2=O)CC[N@@H+]1C ZINC000865301783 662410872 /nfs/dbraw/zinc/41/08/72/662410872.db2.gz MOVKMMOZOSLRGT-GBIKHYSHSA-N 1 0 386.315 2.928 20 0 GFADRO CN1C(=O)N([C@H]2CC[N@H+](CC3CC3)C2)C(=O)[C@@H]1c1ccc(Br)s1 ZINC000865302552 662411287 /nfs/dbraw/zinc/41/12/87/662411287.db2.gz SIRUASCPDNFVFQ-FZMZJTMJSA-N 1 0 398.326 2.930 20 0 GFADRO C[NH+]1CCC(NC(=O)CSc2nnc(Nc3cccc(F)c3)s2)CC1 ZINC000865348092 662415093 /nfs/dbraw/zinc/41/50/93/662415093.db2.gz BLUUHAILRVERHY-UHFFFAOYSA-N 1 0 381.502 2.723 20 0 GFADRO Cn1ncc2cc(C[NH2+][C@@H](CO)c3ccc(Br)c(F)c3)cnc21 ZINC000865577338 662430513 /nfs/dbraw/zinc/43/05/13/662430513.db2.gz JDRBPUNELXWOQG-HNNXBMFYSA-N 1 0 379.233 2.693 20 0 GFADRO Brc1ccc2c(c1)C[C@@H]1[C@H]2[C@H]1[NH2+]Cc1cn(C[C@@H]2CCCO2)nn1 ZINC000865695229 662436935 /nfs/dbraw/zinc/43/69/35/662436935.db2.gz WFYHHHBQBAARGP-RANZSIQMSA-N 1 0 389.297 2.648 20 0 GFADRO C/C(=C\c1ccc(Br)o1)C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000865750863 662441317 /nfs/dbraw/zinc/44/13/17/662441317.db2.gz TZRRJXCJYJNALB-CMPYXILNSA-N 1 0 396.329 2.730 20 0 GFADRO Brc1ccn2cc(C[NH2+]C[C@H]3CC4(CO3)CCOCC4)nc2c1 ZINC000865779651 662443090 /nfs/dbraw/zinc/44/30/90/662443090.db2.gz LBNRTTWXBABWJE-OAHLLOKOSA-N 1 0 380.286 2.772 20 0 GFADRO COc1cc(I)ccc1C(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000866071252 662459472 /nfs/dbraw/zinc/45/94/72/662459472.db2.gz FXJIZURPXVKXPG-JQWIXIFHSA-N 1 0 388.249 2.512 20 0 GFADRO C[N@@H+]1CC[C@H]2CN(c3ncc(Cn4cc(Br)cn4)s3)CC[C@@H]21 ZINC000866207348 662464407 /nfs/dbraw/zinc/46/44/07/662464407.db2.gz IEXRUWIIYMWCCO-FZMZJTMJSA-N 1 0 382.331 2.681 20 0 GFADRO COc1ccc(S(=O)(=O)N2CCC([NH2+]CC[C@@H]3CCSC3)CC2)cc1 ZINC000866401687 662470310 /nfs/dbraw/zinc/47/03/10/662470310.db2.gz DKHHBVSUJAHPLH-OAHLLOKOSA-N 1 0 384.567 2.581 20 0 GFADRO CCO[C@@H](CC[NH+](C)C)CNC(=O)c1nc(Br)sc1Cl ZINC000866455340 662474574 /nfs/dbraw/zinc/47/45/74/662474574.db2.gz XUCATUJNTAZXNA-QMMMGPOBSA-N 1 0 384.727 2.646 20 0 GFADRO C[C@H]([NH2+]CC(C)(C)CS(N)(=O)=O)c1cc(F)c(Br)cc1F ZINC000866571595 662480761 /nfs/dbraw/zinc/48/07/61/662480761.db2.gz DMTFAZVEAJGXBR-QMMMGPOBSA-N 1 0 385.274 2.693 20 0 GFADRO COC[C@@H]([NH2+][C@@H](C)C1CCS(=O)(=O)CC1)c1cccc(Br)c1 ZINC000866597129 662482971 /nfs/dbraw/zinc/48/29/71/662482971.db2.gz NUJJAYFAKSQOEZ-BLLLJJGKSA-N 1 0 390.343 2.940 20 0 GFADRO Cc1ccc(Br)c(CS(=O)(=O)N2CCC([C@H](C)[NH3+])CC2)c1 ZINC000866738105 662493163 /nfs/dbraw/zinc/49/31/63/662493163.db2.gz NGFVLRDHXBQKIN-LBPRGKRZSA-N 1 0 375.332 2.647 20 0 GFADRO Cc1ccc(Br)c(CS(=O)(=O)NCCC[C@@H]2CCC[NH2+]2)c1 ZINC000866769333 662496285 /nfs/dbraw/zinc/49/62/85/662496285.db2.gz KVGKMJOEVQBEPH-AWEZNQCLSA-N 1 0 375.332 2.709 20 0 GFADRO O=S(=O)(c1oc2ccccc2c1Br)N1CCC2(CC[NH2+]2)CC1 ZINC000866774084 662496975 /nfs/dbraw/zinc/49/69/75/662496975.db2.gz YCBBMKCDHAUPHG-UHFFFAOYSA-N 1 0 385.283 2.712 20 0 GFADRO C[NH+](C)C1(CS(=O)(=O)Oc2cccc(NC(=O)c3cccs3)c2)CC1 ZINC000866792321 662498964 /nfs/dbraw/zinc/49/89/64/662498964.db2.gz YYVYKOCSSXXIHT-UHFFFAOYSA-N 1 0 380.491 2.803 20 0 GFADRO O=S(=O)(/C=C\c1cccc(Br)c1)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000866809458 662500513 /nfs/dbraw/zinc/50/05/13/662500513.db2.gz KPNAUAGUCLUDBE-UWWULBGLSA-N 1 0 385.327 2.870 20 0 GFADRO COC(=O)c1ccc(Cl)c(S(=O)(=O)N2CC[C@@](C[NH3+])(C(C)(C)C)C2)c1 ZINC000866814538 662501419 /nfs/dbraw/zinc/50/14/19/662501419.db2.gz CXNFBEKFVGOFTK-KRWDZBQOSA-N 1 0 388.917 2.512 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2cc3nc(Cl)ncc3s2)C[C@H]1C ZINC000866856201 662503985 /nfs/dbraw/zinc/50/39/85/662503985.db2.gz YXPDIPJNMPRCQD-GHMZBOCLSA-N 1 0 388.946 2.838 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2cc3nc(Cl)ncc3s2)C[C@@H]1C ZINC000866856203 662504091 /nfs/dbraw/zinc/50/40/91/662504091.db2.gz YXPDIPJNMPRCQD-QWRGUYRKSA-N 1 0 388.946 2.838 20 0 GFADRO C[NH+](C)CCCOC1CCN(S(=O)(=O)Cc2ccc(F)cc2Cl)CC1 ZINC000866920441 662508723 /nfs/dbraw/zinc/50/87/23/662508723.db2.gz ROSOIOUWMBJAIF-UHFFFAOYSA-N 1 0 392.924 2.742 20 0 GFADRO C[NH+](C)CCC1CCN(S(=O)(=O)c2cc3nc(Cl)ncc3s2)CC1 ZINC000867060599 662520023 /nfs/dbraw/zinc/52/00/23/662520023.db2.gz ONARUTFQGSSHBF-UHFFFAOYSA-N 1 0 388.946 2.697 20 0 GFADRO COc1ccc2nc(Cl)ccc2c1S(=O)(=O)N1CC[C@H]([NH+](C)C)[C@@H]1C ZINC000867310011 662541263 /nfs/dbraw/zinc/54/12/63/662541263.db2.gz VCNKGFSTXGMSKI-FZMZJTMJSA-N 1 0 383.901 2.610 20 0 GFADRO C[NH+]1CCC2(CCN(S(=O)(=O)c3ccc4onc(Cl)c4c3)CC2)CC1 ZINC000867618498 662563209 /nfs/dbraw/zinc/56/32/09/662563209.db2.gz HAORUQLUOKSWCE-UHFFFAOYSA-N 1 0 383.901 2.978 20 0 GFADRO CCC1([NH+](C)C)CCN(S(=O)(=O)c2ccc3nc(Cl)cnc3c2)CC1 ZINC000867631321 662564230 /nfs/dbraw/zinc/56/42/30/662564230.db2.gz NREQXOWPMHMWTP-UHFFFAOYSA-N 1 0 382.917 2.778 20 0 GFADRO CC(C)[NH+]1CCC(CCNS(=O)(=O)c2ccc3[nH]c(=O)sc3c2)CC1 ZINC000867652575 662565747 /nfs/dbraw/zinc/56/57/47/662565747.db2.gz TUBVHPZYAMHDJK-UHFFFAOYSA-N 1 0 383.539 2.791 20 0 GFADRO C[NH+](C)C1(C)CCC(NS(=O)(=O)c2cc(F)ccc2OC(F)F)CC1 ZINC000867742335 662571661 /nfs/dbraw/zinc/57/16/61/662571661.db2.gz INYWDVPWSRVQTN-UHFFFAOYSA-N 1 0 380.432 2.968 20 0 GFADRO COC(=O)c1ccc(Cl)cc1S(=O)(=O)NC1CCC(C)([NH+](C)C)CC1 ZINC000867744163 662571911 /nfs/dbraw/zinc/57/19/11/662571911.db2.gz PNJGBOUGKMROHO-UHFFFAOYSA-N 1 0 388.917 2.668 20 0 GFADRO [NH3+][C@H](C(=O)NC[C@H]1COc2ccccc2C1)c1cccc(Br)c1 ZINC000867945197 662588587 /nfs/dbraw/zinc/58/85/87/662588587.db2.gz AHJMSQXOHLQNIL-SJCJKPOMSA-N 1 0 375.266 2.816 20 0 GFADRO COc1ccc(CCNC(=O)[C@H]([NH3+])c2cccc(Br)c2)cc1OC ZINC000867953062 662588985 /nfs/dbraw/zinc/58/89/85/662588985.db2.gz MNQIVQGAENNAEM-QGZVFWFLSA-N 1 0 393.281 2.825 20 0 GFADRO COCCC1(NC(=O)CCc2ccc(Br)c(C)c2)CC[NH2+]CC1 ZINC000868041527 662592201 /nfs/dbraw/zinc/59/22/01/662592201.db2.gz ASEMHLZOPZDMEY-UHFFFAOYSA-N 1 0 383.330 2.965 20 0 GFADRO COCCC1(NC(=O)c2cc(Br)ccc2Cl)CC[NH2+]CC1 ZINC000868039221 662592233 /nfs/dbraw/zinc/59/22/33/662592233.db2.gz PMRKRQYIFCZDGZ-UHFFFAOYSA-N 1 0 375.694 2.991 20 0 GFADRO [NH3+][C@H]1C[C@H](CNC(=O)Nc2cc(Cl)ccc2I)C1 ZINC000868160513 662596983 /nfs/dbraw/zinc/59/69/83/662596983.db2.gz REPPKCDGKXBXOJ-XWEPSHTISA-N 1 0 379.629 2.803 20 0 GFADRO [NH3+][C@H]1C[C@H](CNC(=O)Nc2ccnn2Cc2ccc(Br)cc2)C1 ZINC000868151482 662596656 /nfs/dbraw/zinc/59/66/56/662596656.db2.gz UVDHQZKZRSUGLI-MQMHXKEQSA-N 1 0 378.274 2.553 20 0 GFADRO COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000868307740 662601535 /nfs/dbraw/zinc/60/15/35/662601535.db2.gz LXOCRJISUSHAMQ-JGPRNRPPSA-N 1 0 386.279 2.587 20 0 GFADRO COC[C@@H](NC(=O)NC[C@@H]1CCC[N@H+](C)C1)c1cccc(Br)c1 ZINC000868367088 662603320 /nfs/dbraw/zinc/60/33/20/662603320.db2.gz DBOIWOYXJNNKBT-XJKSGUPXSA-N 1 0 384.318 2.778 20 0 GFADRO COC[C@@H](NC(=O)N1CC[C@]2(CC[N@H+](C)C2)C1)c1cccc(Br)c1 ZINC000869148066 662631833 /nfs/dbraw/zinc/63/18/33/662631833.db2.gz VKFNENVTOXVJGB-AEFFLSMTSA-N 1 0 396.329 2.874 20 0 GFADRO CCCC[NH+]1CCC(NC(=O)NCc2ncc(Br)s2)CC1 ZINC000869194434 662634218 /nfs/dbraw/zinc/63/42/18/662634218.db2.gz KZYWIWJQACUTCM-UHFFFAOYSA-N 1 0 375.336 2.969 20 0 GFADRO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)c1nc(Br)sc1Cl ZINC000869238242 662637114 /nfs/dbraw/zinc/63/71/14/662637114.db2.gz YCCWNCFVEYBQIE-VIFPVBQESA-N 1 0 397.770 2.561 20 0 GFADRO COCCN(CC1CC[NH+](C)CC1)C(=O)Cc1ccc(Br)s1 ZINC000869765804 662660506 /nfs/dbraw/zinc/66/05/06/662660506.db2.gz DAAHOSUKRZRWJX-UHFFFAOYSA-N 1 0 389.359 2.870 20 0 GFADRO CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)c2c(Cl)cc(F)cc2Br)C1 ZINC000869776507 662661303 /nfs/dbraw/zinc/66/13/03/662661303.db2.gz LBNGALBOTFYPDA-JTQLQIEISA-N 1 0 393.684 2.817 20 0 GFADRO CC(=O)N[C@H](C(=O)O[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cccc(Br)c1 ZINC000870343494 662685798 /nfs/dbraw/zinc/68/57/98/662685798.db2.gz LSURZQAWAFHCHC-IKGGRYGDSA-N 1 0 395.297 2.796 20 0 GFADRO CCOC(=O)C1CCC(NC(=O)[C@@H]([NH3+])c2cccc(Br)c2)CC1 ZINC000870871406 662704129 /nfs/dbraw/zinc/70/41/29/662704129.db2.gz WLMZJGIEDYONPC-KWCHVYNWSA-N 1 0 383.286 2.687 20 0 GFADRO COc1c(C)cnc(CNC(=O)[C@H]([NH3+])c2cccc(Br)c2)c1C ZINC000870876751 662704343 /nfs/dbraw/zinc/70/43/43/662704343.db2.gz XPXQDIAHAYABRK-OAHLLOKOSA-N 1 0 378.270 2.786 20 0 GFADRO O=C(CCC12CC(C1)C[NH2+]2)N1CCO[C@@H](c2cccc(Br)c2)C1 ZINC000870876869 662704385 /nfs/dbraw/zinc/70/43/85/662704385.db2.gz QCUTZANPYJUAKR-CRPOECCBSA-N 1 0 379.298 2.881 20 0 GFADRO [NH3+][C@H](C(=O)N1CCC([C@@H](O)C(F)(F)F)CC1)c1cccc(Br)c1 ZINC000870906991 662707639 /nfs/dbraw/zinc/70/76/39/662707639.db2.gz NMVLOXLQDBYPRX-QWHCGFSZSA-N 1 0 395.219 2.611 20 0 GFADRO C[NH2+]C[C@@H]1CCN(C(=O)c2c(F)ccc(I)c2Cl)C1 ZINC000870935990 662708959 /nfs/dbraw/zinc/70/89/59/662708959.db2.gz WLIBPAJYHYVIQT-QMMMGPOBSA-N 1 0 396.631 2.765 20 0 GFADRO CC1(C)C[NH2+][C@H]1C1CCN(C(=O)c2cc(Br)cn3ccnc23)CC1 ZINC000870947622 662710895 /nfs/dbraw/zinc/71/08/95/662710895.db2.gz GDMOPEDNGVMXIT-HNNXBMFYSA-N 1 0 391.313 2.947 20 0 GFADRO O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cc(=O)[nH]c2c(Br)cccc12 ZINC000870973453 662711809 /nfs/dbraw/zinc/71/18/09/662711809.db2.gz WQKHKULUGYDHRW-ZSBIGDGJSA-N 1 0 390.281 2.963 20 0 GFADRO Cc1csc(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)c1I ZINC000870973134 662711857 /nfs/dbraw/zinc/71/18/57/662711857.db2.gz KKXHYRPZUJGHKL-JGPRNRPPSA-N 1 0 390.290 2.922 20 0 GFADRO C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000870976070 662712146 /nfs/dbraw/zinc/71/21/46/662712146.db2.gz OIOAOXNDHGHADH-RVMXOQNASA-N 1 0 384.307 2.759 20 0 GFADRO Cc1ccc(Cl)c(S(=O)(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)c1Cl ZINC000871810609 662734920 /nfs/dbraw/zinc/73/49/20/662734920.db2.gz OSJUKAVQJKKMEE-GFCCVEGCSA-N 1 0 393.336 2.739 20 0 GFADRO C[C@@H](Nc1cc2n(n1)CC[N@H+](C)C2)C(=O)Nc1ccc(Br)cc1 ZINC000871929169 662742893 /nfs/dbraw/zinc/74/28/93/662742893.db2.gz SZYOYGDCXJHHCU-LLVKDONJSA-N 1 0 378.274 2.530 20 0 GFADRO CS(=O)(=O)CCC[NH2+][C@@H](c1cccc(Br)c1)[C@@H]1CCOC1 ZINC000872032031 662754363 /nfs/dbraw/zinc/75/43/63/662754363.db2.gz PGWXCXQAVMQZSF-HIFRSBDPSA-N 1 0 376.316 2.551 20 0 GFADRO CC[C@H](CCC(F)(F)F)[NH2+]Cc1ccccc1S(=O)(=O)N(C)CCO ZINC000872045612 662754680 /nfs/dbraw/zinc/75/46/80/662754680.db2.gz PUONKAGKCVIFRI-CQSZACIVSA-N 1 0 382.448 2.510 20 0 GFADRO OCCCN1CCC[C@H]([NH2+][C@@H](c2cccc(Br)c2)[C@@H]2CCOC2)C1 ZINC000872074414 662755256 /nfs/dbraw/zinc/75/52/56/662755256.db2.gz DPMQNXZRMCLDHD-NEWSRXKRSA-N 1 0 397.357 2.963 20 0 GFADRO C[C@H]([NH2+]CCC[C@@H]1CCOC1=O)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000872114667 662756191 /nfs/dbraw/zinc/75/61/91/662756191.db2.gz XVRZPRXJGHZQNC-VHSXEESVSA-N 1 0 395.308 2.635 20 0 GFADRO [NH3+]C[C@H]1CN(CC(=O)Nc2ccc(Br)cc2F)C[C@@H]1C(F)(F)F ZINC000872147047 662756467 /nfs/dbraw/zinc/75/64/67/662756467.db2.gz CIHLMHQLHIBLEJ-WPRPVWTQSA-N 1 0 398.198 2.596 20 0 GFADRO O=S(=O)(CC[NH2+]C[C@@H]1C[C@H]2CCC[C@H]2O1)c1cccc(Br)c1 ZINC000872248392 662759228 /nfs/dbraw/zinc/75/92/28/662759228.db2.gz RYSAJRFFXHUIIK-IVMMDQJWSA-N 1 0 388.327 2.770 20 0 GFADRO CC[NH+](CC)CCCC1CCN(S(=O)(=O)N=[S@](C)(=O)C(C)(C)C)CC1 ZINC000872472614 662770772 /nfs/dbraw/zinc/77/07/72/662770772.db2.gz ZAARAPRHHDHFQH-XMMPIXPASA-N 1 0 395.635 2.962 20 0 GFADRO COC(=O)c1ccc(S(=O)(=O)N2CCC(C)([NH+]3CCCCC3)CC2)s1 ZINC000872531454 662775530 /nfs/dbraw/zinc/77/55/30/662775530.db2.gz KONMLKJBFAPKGJ-UHFFFAOYSA-N 1 0 386.539 2.564 20 0 GFADRO COc1ccc(S(=O)(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3C)c(Cl)c1Cl ZINC000872662343 662784185 /nfs/dbraw/zinc/78/41/85/662784185.db2.gz DNZQQVXIGWTDAF-QWRGUYRKSA-N 1 0 379.309 2.859 20 0 GFADRO CCC1([NH+](C)C)CCN(Cn2nc(N(C(C)=O)C3CC3)sc2=S)CC1 ZINC000872669281 662784489 /nfs/dbraw/zinc/78/44/89/662784489.db2.gz DYCCHHVKYWPNFV-UHFFFAOYSA-N 1 0 383.587 2.953 20 0 GFADRO CCC1([NH+](C)C)CCN(CN2c3cccc(Br)c3C(=O)C2=O)CC1 ZINC000872669274 662784612 /nfs/dbraw/zinc/78/46/12/662784612.db2.gz DUVBLEMQGUKRAH-UHFFFAOYSA-N 1 0 394.313 2.742 20 0 GFADRO CO[C@@H]1COCC[C@@H]1C[NH2+]Cc1cccc(F)c1I ZINC000873131112 662800926 /nfs/dbraw/zinc/80/09/26/662800926.db2.gz MBNPAFDCCKRFCM-ZWNOBZJWSA-N 1 0 379.213 2.571 20 0 GFADRO O=C1OCC[C@@H]1CCC[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000873159604 662802111 /nfs/dbraw/zinc/80/21/11/662802111.db2.gz AGLNMZLQTRLFDY-AWEZNQCLSA-N 1 0 397.313 2.719 20 0 GFADRO COc1ccc(C[NH2+]CC2C[C@H]3CC[C@@H](C2)S3(=O)=O)c(OC(F)F)c1 ZINC000873171850 662802739 /nfs/dbraw/zinc/80/27/39/662802739.db2.gz XZLYKQZLCZPQOH-PHTAMDTFSA-N 1 0 375.437 2.742 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)Nc2cc3c(cc2Cl)OCCO3)C[C@@H]1C(F)(F)F ZINC000873305064 662805104 /nfs/dbraw/zinc/80/51/04/662805104.db2.gz UFNSMSBEVLDDEI-BDAKNGLRSA-N 1 0 379.766 2.712 20 0 GFADRO CCOC(=O)c1sc(NC(=O)N2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1C ZINC000873307203 662805106 /nfs/dbraw/zinc/80/51/06/662805106.db2.gz KBNVZYTXNWNPIK-UWVGGRQHSA-N 1 0 379.404 2.834 20 0 GFADRO Cn1cc(NC(=O)N[C@H]2CCCCC23CC[NH2+]CC3)cc(Br)c1=O ZINC000873312677 662805210 /nfs/dbraw/zinc/80/52/10/662805210.db2.gz RPRKSOFEOBCIGH-AWEZNQCLSA-N 1 0 397.317 2.582 20 0 GFADRO CCOC(=O)c1c(C)csc1NC(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000873314991 662805247 /nfs/dbraw/zinc/80/52/47/662805247.db2.gz ZIXNZBCDVWPZOA-UWVGGRQHSA-N 1 0 379.404 2.834 20 0 GFADRO CCOC(=O)c1c(C)csc1NC(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000873314993 662805251 /nfs/dbraw/zinc/80/52/51/662805251.db2.gz ZIXNZBCDVWPZOA-VHSXEESVSA-N 1 0 379.404 2.834 20 0 GFADRO CCc1ccc(Br)c(NC(=O)C(=O)NC[C@H]2CC[N@@H+](C(C)C)C2)c1 ZINC000873694928 662811989 /nfs/dbraw/zinc/81/19/89/662811989.db2.gz GDRACEIVRGNEOO-CQSZACIVSA-N 1 0 396.329 2.797 20 0 GFADRO O=C([O-])C[NH+]1CCC([NH2+]C2CC(c3ccc(Br)cc3F)C2)CC1 ZINC000874047246 662821345 /nfs/dbraw/zinc/82/13/45/662821345.db2.gz MNSDGDWXSLJJRH-UHFFFAOYSA-N 1 0 385.277 2.973 20 0 GFADRO O=C(C[NH+]1CCCC1)N1CCC(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000874264906 662827043 /nfs/dbraw/zinc/82/70/43/662827043.db2.gz OWYFHUQINDQNPG-UHFFFAOYSA-N 1 0 394.313 2.722 20 0 GFADRO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1CCO[C@H]1c1cncc(Br)c1 ZINC000874822536 662837300 /nfs/dbraw/zinc/83/73/00/662837300.db2.gz BNVRKFJUERRTCU-QZWWFDLISA-N 1 0 394.313 2.617 20 0 GFADRO COC(=O)c1cc(Br)cc(C(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3C)c1 ZINC000874830897 662837864 /nfs/dbraw/zinc/83/78/64/662837864.db2.gz WWDNEIDHCIIUMI-CABCVRRESA-N 1 0 381.270 2.544 20 0 GFADRO C[NH+]1CCC(CNC(=O)N[C@@H]2[C@H]3Cc4ccc(Br)cc4[C@@H]23)CC1 ZINC000875238626 662843765 /nfs/dbraw/zinc/84/37/65/662843765.db2.gz QMONFVIBEKJYBK-GVDBMIGSSA-N 1 0 378.314 2.728 20 0 GFADRO COCCN(C(=O)C1CC[NH+](C(C)C)CC1)c1cccc(Br)n1 ZINC000875542138 662847770 /nfs/dbraw/zinc/84/77/70/662847770.db2.gz XSZDCTABVOGNMT-UHFFFAOYSA-N 1 0 384.318 2.944 20 0 GFADRO COCCN(CC1CC[NH+](C)CC1)C(=O)c1ccc(Br)cc1OC ZINC000876166175 662856139 /nfs/dbraw/zinc/85/61/39/662856139.db2.gz HBDLMSMJAMUCEL-UHFFFAOYSA-N 1 0 399.329 2.888 20 0 GFADRO Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)NCc1cc(Br)cs1 ZINC000876602016 662863276 /nfs/dbraw/zinc/86/32/76/662863276.db2.gz FTVJQOPLVQHLDV-GFCCVEGCSA-N 1 0 383.315 2.870 20 0 GFADRO O=C(NCC1(c2cccc(Br)c2)CCOCC1)[C@@H](F)[C@H]1CC[NH2+]C1 ZINC000876606806 662863284 /nfs/dbraw/zinc/86/32/84/662863284.db2.gz LECOYZVBOGGGLZ-BBRMVZONSA-N 1 0 399.304 2.561 20 0 GFADRO C[C@@H](NC(=O)[C@]12CCC[C@H]1[NH2+]CC2)c1cc2c(cc1Br)OCCO2 ZINC000876607505 662863433 /nfs/dbraw/zinc/86/34/33/662863433.db2.gz VKZBOSNQVQTPAG-ONUMYQOESA-N 1 0 395.297 2.930 20 0 GFADRO O=C(NC1(c2ccc(Br)cc2)CCOCC1)[C@H](F)[C@H]1CC[NH2+]C1 ZINC000876611650 662863439 /nfs/dbraw/zinc/86/34/39/662863439.db2.gz NKFOYARHOVAXPQ-SWLSCSKDSA-N 1 0 385.277 2.519 20 0 GFADRO C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCO[C@@H](c2ccccc2Br)C1 ZINC000876627972 662863758 /nfs/dbraw/zinc/86/37/58/662863758.db2.gz MDSPRTBVMDWPRI-PVOIEKQASA-N 1 0 379.298 2.761 20 0 GFADRO COc1cc(Br)c(CNC(=O)/C=C\[C@H]2CCC[NH2+]C2)cc1OC ZINC000876643448 662864115 /nfs/dbraw/zinc/86/41/15/662864115.db2.gz YLQAWZFLJUIVBE-FOQNGQEVSA-N 1 0 383.286 2.638 20 0 GFADRO CC(C)(CNC(=O)c1cnc(C[NH3+])nc1)Sc1ccc(Br)cc1 ZINC000876686407 662864812 /nfs/dbraw/zinc/86/48/12/662864812.db2.gz XFPRAXMZRNSPON-UHFFFAOYSA-N 1 0 395.326 2.999 20 0 GFADRO O=C(Nc1cc(Br)ccc1N1CCOCC1)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000876714099 662865369 /nfs/dbraw/zinc/86/53/69/662865369.db2.gz WOMHKIYCYRJRKN-AEFFLSMTSA-N 1 0 394.313 2.756 20 0 GFADRO CC[N@@H+](Cc1ccc(Cl)c(S(N)(=O)=O)c1)C[C@@H](O)c1ccc(C)cc1 ZINC000876764380 662866064 /nfs/dbraw/zinc/86/60/64/662866064.db2.gz MMJMPIOXSMIGAC-QGZVFWFLSA-N 1 0 382.913 2.851 20 0 GFADRO O=C(NCCOc1ncc(C(F)(F)F)cc1Cl)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000876772923 662866144 /nfs/dbraw/zinc/86/61/44/662866144.db2.gz UTQJIKLDLXSLSN-DOMZBBRYSA-N 1 0 377.794 2.781 20 0 GFADRO CN(CC(F)F)C1CCN(C(=O)[C@H]([NH3+])c2cccc(Br)c2)CC1 ZINC000876774867 662866156 /nfs/dbraw/zinc/86/61/56/662866156.db2.gz JFLRHXZBNIKHAW-OAHLLOKOSA-N 1 0 390.272 2.637 20 0 GFADRO O=C(NC1CCC(N2CC[NH2+]CC2)CC1)c1cc2c(ccnc2Cl)s1 ZINC000876914551 662868021 /nfs/dbraw/zinc/86/80/21/662868021.db2.gz RVIZZBDKPOMGDX-UHFFFAOYSA-N 1 0 378.929 2.896 20 0 GFADRO Cc1cnn([C@H]2CCC[NH2+]C2)c1C(=O)N(C)Cc1ccc(Br)o1 ZINC000876943810 662868421 /nfs/dbraw/zinc/86/84/21/662868421.db2.gz VHQSCTQDSARRPX-LBPRGKRZSA-N 1 0 381.274 2.744 20 0 GFADRO O=C(N1CCOC[C@@H]1c1ccc(Br)cc1)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000876968619 662868831 /nfs/dbraw/zinc/86/88/31/662868831.db2.gz SDYIITPBHROLPA-NUJGCVRESA-N 1 0 379.298 2.881 20 0 GFADRO O=C(CCC12CC(C1)C[NH2+]2)N1CCOC[C@H]1c1cccc(Br)c1 ZINC000876970032 662868841 /nfs/dbraw/zinc/86/88/41/662868841.db2.gz HGJYLUVBJXSSCK-MNQCNDSGSA-N 1 0 379.298 2.881 20 0 GFADRO O=C(/C=C/[C@@H]1CCC[NH2+]C1)N1CCOC[C@H]1c1ccc(Br)cc1 ZINC000876967717 662868901 /nfs/dbraw/zinc/86/89/01/662868901.db2.gz LTELDQRWBVUUHD-FSLDBXFBSA-N 1 0 379.298 2.905 20 0 GFADRO C[NH2+]CCCC(=O)N1CCC(NC(=O)/C=C\c2ccc(SC)s2)CC1 ZINC000876977191 662868974 /nfs/dbraw/zinc/86/89/74/662868974.db2.gz WOZOXFUJHBNMFS-ALCCZGGFSA-N 1 0 381.567 2.590 20 0 GFADRO O=C(/C=C/[C@@H]1CCC[NH2+]C1)N1CCOC[C@@H]1c1cccc(Br)c1 ZINC000876970316 662868975 /nfs/dbraw/zinc/86/89/75/662868975.db2.gz OOEBEFUDLVBKDI-PRDNVKDRSA-N 1 0 379.298 2.905 20 0 GFADRO Cn1ncc(C(F)(F)F)c1CNC(=O)[C@H]([NH3+])c1cccc(Br)c1 ZINC000876991584 662869293 /nfs/dbraw/zinc/86/92/93/662869293.db2.gz QNESAJOWEARPOF-GFCCVEGCSA-N 1 0 391.191 2.518 20 0 GFADRO COCCC[NH+]1CCC(NCc2ccc(C(=O)OC)c(Br)c2)CC1 ZINC000876996031 662869439 /nfs/dbraw/zinc/86/94/39/662869439.db2.gz MQQGAFVYLLTBLW-UHFFFAOYSA-N 1 0 399.329 2.826 20 0 GFADRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]Cc2cnn3cc(Br)cnc23)C1 ZINC000877009130 662869596 /nfs/dbraw/zinc/86/95/96/662869596.db2.gz HZAYMJAYJRHDGQ-ZDUSSCGKSA-N 1 0 396.289 2.591 20 0 GFADRO O=S(=O)(c1ccccc1)N1CCC(C[NH2+]C[C@H]2CC2(Cl)Cl)CC1 ZINC000877022289 662869785 /nfs/dbraw/zinc/86/97/85/662869785.db2.gz SRBKZUUASGMFMC-CQSZACIVSA-N 1 0 377.337 2.871 20 0 GFADRO COC(=O)c1ccc(C[NH2+]C(C)(C)CCS(C)(=O)=O)cc1Br ZINC000877069661 662870670 /nfs/dbraw/zinc/87/06/70/662870670.db2.gz DRELRBMFQCYVCV-UHFFFAOYSA-N 1 0 392.315 2.539 20 0 GFADRO C[C@H]([NH3+])CN(C)C(=O)c1cnn(-c2ncccc2Cl)c1C(F)(F)Cl ZINC000877102406 662871107 /nfs/dbraw/zinc/87/11/07/662871107.db2.gz HIDSZUGBZCPGFX-QMMMGPOBSA-N 1 0 378.210 2.628 20 0 GFADRO C[C@@H](CNC(=O)OC(C)(C)C)C[NH2+]Cc1cnn2cc(Br)cnc12 ZINC000877113232 662871236 /nfs/dbraw/zinc/87/12/36/662871236.db2.gz DYBNJEAWJPQUJM-LLVKDONJSA-N 1 0 398.305 2.742 20 0 GFADRO Cc1cc(Br)ccc1CC(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000877117051 662871300 /nfs/dbraw/zinc/87/13/00/662871300.db2.gz ZWNPOISFAQWNDG-SFHVURJKSA-N 1 0 395.341 2.917 20 0 GFADRO [NH3+]C[C@H]1CC[C@H](NC(=O)c2cnn(-c3ccccc3)c2Br)CC1 ZINC000877180502 662871981 /nfs/dbraw/zinc/87/19/81/662871981.db2.gz YBWGHSQBCXUHAF-JOCQHMNTSA-N 1 0 377.286 2.882 20 0 GFADRO COC[C@H](NC(=O)[C@@H]([NH3+])c1cccc(OC)c1)c1cccc(Br)c1 ZINC000877263787 662872840 /nfs/dbraw/zinc/87/28/40/662872840.db2.gz YJYGIRMEDTUTGV-IRXDYDNUSA-N 1 0 393.281 2.961 20 0 GFADRO O=C(CNC(=O)c1sc2ccccc2c1Cl)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000877277368 662872999 /nfs/dbraw/zinc/87/29/99/662872999.db2.gz MBPUUCCAEHCPQU-QWHCGFSZSA-N 1 0 377.897 2.637 20 0 GFADRO O=C(c1ccc(Cl)s1)N1CCC(C(=O)N2CCC[C@H]3[NH2+]CC[C@@H]32)CC1 ZINC000877281420 662873151 /nfs/dbraw/zinc/87/31/51/662873151.db2.gz LNYMRRCSCKEZLV-KGLIPLIRSA-N 1 0 381.929 2.607 20 0 GFADRO Cc1cc([C@@H]([NH3+])CC(=O)NCCOC(F)(F)C(F)(F)F)cc(Cl)n1 ZINC000877310978 662873389 /nfs/dbraw/zinc/87/33/89/662873389.db2.gz ASAVYHLNRDGFKR-VIFPVBQESA-N 1 0 375.725 2.721 20 0 GFADRO O=C(NC[C@@H]1Cc2ccccc2C[NH2+]1)c1sc2c(c1Br)CNC2 ZINC000877341456 662873989 /nfs/dbraw/zinc/87/39/89/662873989.db2.gz XQKXTSKQXKWLKR-LBPRGKRZSA-N 1 0 392.322 2.558 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)Cc2ccc(Br)cc2F)C[C@H]1C(F)(F)F ZINC000877358326 662874416 /nfs/dbraw/zinc/87/44/16/662874416.db2.gz WLMGSYODWJSAMV-GXSJLCMTSA-N 1 0 383.183 2.726 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)COc2ccc(Br)cc2F)C[C@H]1C(F)(F)F ZINC000877365317 662874719 /nfs/dbraw/zinc/87/47/19/662874719.db2.gz DTQUDVRLVZCGLE-WCBMZHEXSA-N 1 0 399.182 2.563 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)c2cc(Cl)c3c(c2)OCCCO3)C[C@H]1C(F)(F)F ZINC000877369016 662874933 /nfs/dbraw/zinc/87/49/33/662874933.db2.gz KYSPWBDUOFNXBF-WDEREUQCSA-N 1 0 378.778 2.711 20 0 GFADRO CCOc1c(Br)cc(C(=O)N[C@]23CCC[C@H]2[NH2+]CC3)cc1OC ZINC000877396805 662875498 /nfs/dbraw/zinc/87/54/98/662875498.db2.gz AEYYBAUVDFGTKC-PBHICJAKSA-N 1 0 383.286 2.871 20 0 GFADRO O=C(N[C@@]12CCC[C@H]1[NH2+]CC2)c1ccc(I)cc1Cl ZINC000877395280 662875531 /nfs/dbraw/zinc/87/55/31/662875531.db2.gz ZUMXVFHVRSUEFB-TZMCWYRMSA-N 1 0 390.652 2.959 20 0 GFADRO O=S1(=O)CCC(C[NH2+][C@@H]2CCN(c3ccccc3C(F)(F)F)C2)CC1 ZINC000877423913 662875872 /nfs/dbraw/zinc/87/58/72/662875872.db2.gz NPNHQYOQTSZKMH-CQSZACIVSA-N 1 0 376.444 2.699 20 0 GFADRO C[C@@](O)(CC[NH2+]Cc1cnn2cc(Br)cnc12)c1ccccc1 ZINC000877441945 662876071 /nfs/dbraw/zinc/87/60/71/662876071.db2.gz UTBCXWNRYFNGSA-QGZVFWFLSA-N 1 0 375.270 2.879 20 0 GFADRO CCO[P@@](C)(=O)CC[C@@H](C)[NH2+]CCN(C)S(=O)(=O)c1ccc(F)cc1 ZINC000877496327 662877169 /nfs/dbraw/zinc/87/71/69/662877169.db2.gz RPHQWINFPAEYRZ-JBEBIEQOSA-N 1 0 394.449 2.759 20 0 GFADRO Cc1ccc(Br)c(F)c1C[N@@H+]1CCC[C@H]1C[C@]1(C)NC(=O)NC1=O ZINC000877517548 662877815 /nfs/dbraw/zinc/87/78/15/662877815.db2.gz NQEXOHPDMNPYBE-GTNSWQLSSA-N 1 0 398.276 2.849 20 0 GFADRO COCC1(C[NH2+]Cc2ccc(C(=O)OC)c(Br)c2)CCOCC1 ZINC000877544572 662878522 /nfs/dbraw/zinc/87/85/22/662878522.db2.gz ZJVXZROGRQVPHV-UHFFFAOYSA-N 1 0 386.286 2.769 20 0 GFADRO COCCOC1(C[NH2+]Cc2nc(Cl)ccc2Br)CCOCC1 ZINC000877559111 662878748 /nfs/dbraw/zinc/87/87/48/662878748.db2.gz RGGPMCSNHPUAPZ-UHFFFAOYSA-N 1 0 393.709 2.799 20 0 GFADRO OC[C@@H](C[NH2+]Cc1ccc(Cl)nn1)Cc1ccc(F)c(Br)c1 ZINC000877573702 662879134 /nfs/dbraw/zinc/87/91/34/662879134.db2.gz SYDNAGQJCVIWRR-LLVKDONJSA-N 1 0 388.668 2.972 20 0 GFADRO NS(=O)(=O)c1cccc(C[NH2+][C@@H]2[C@@H]3Cc4c(cccc4Br)[C@@H]32)c1 ZINC000877663365 662881158 /nfs/dbraw/zinc/88/11/58/662881158.db2.gz AQHCQLSVHJQHIV-HYVNUMGLSA-N 1 0 393.306 2.524 20 0 GFADRO Cn1ncc(Br)c1C[NH2+]C[C@@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC000877674475 662881510 /nfs/dbraw/zinc/88/15/10/662881510.db2.gz LFTJYHGRAQLWJN-MRXNPFEDSA-N 1 0 387.322 2.919 20 0 GFADRO Cc1nn(-c2ccccc2Br)cc1C[NH+]1CCC(CO)(CO)CC1 ZINC000877796436 662884229 /nfs/dbraw/zinc/88/42/29/662884229.db2.gz MSLVTKKJCVTXIY-UHFFFAOYSA-N 1 0 394.313 2.510 20 0 GFADRO COC(=O)[C@H](C)C[N@@H+](Cc1ccccc1)C[C@H](O)c1cc(Br)no1 ZINC000878035795 662888680 /nfs/dbraw/zinc/88/86/80/662888680.db2.gz DTKCMLAMMXVNNB-OCCSQVGLSA-N 1 0 397.269 2.782 20 0 GFADRO COC(=O)[C@H](C)[C@@H]([NH2+]C[C@H](O)c1cc(Br)no1)c1ccccc1 ZINC000878267425 662892699 /nfs/dbraw/zinc/89/26/99/662892699.db2.gz XIJXEWOXNWATOG-IFUGULHKSA-N 1 0 383.242 2.611 20 0 GFADRO C[C@H]([NH2+]C[C@H](O)c1cc(Br)no1)c1cccc(N2CCCC2=O)c1 ZINC000878357116 662894486 /nfs/dbraw/zinc/89/44/86/662894486.db2.gz CCKHOSNXRKVUHX-FZMZJTMJSA-N 1 0 394.269 2.948 20 0 GFADRO C[NH+]1CCC(NC(=O)CN2CCC[C@H]2c2ccc(Br)s2)CC1 ZINC000878406012 662895629 /nfs/dbraw/zinc/89/56/29/662895629.db2.gz WXPWWNPKKBETKX-ZDUSSCGKSA-N 1 0 386.359 2.858 20 0 GFADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1cc(Br)ccc1C1CC1 ZINC000878544486 662898659 /nfs/dbraw/zinc/89/86/59/662898659.db2.gz JMTHEBMYSXRNNJ-LSDHHAIUSA-N 1 0 379.298 2.920 20 0 GFADRO CC(=O)N[C@@H](C(=O)N1CCC[C@@H]([NH2+]C(C)C)C1)c1cccc(Br)c1 ZINC000878578194 662899334 /nfs/dbraw/zinc/89/93/34/662899334.db2.gz RVIQJWJIQUDCNC-IAGOWNOFSA-N 1 0 396.329 2.615 20 0 GFADRO C[C@H](CNC(=O)c1cc(Br)ccc1C1CC1)N1CC[NH+](C)CC1 ZINC000878880419 662908425 /nfs/dbraw/zinc/90/84/25/662908425.db2.gz YTIRJHPDLUKKKY-CYBMUJFWSA-N 1 0 380.330 2.692 20 0 GFADRO CN(C)C(=O)c1ccc(OC2CC[NH+](CC3(Br)CC3)CC2)nc1 ZINC000878926521 662909641 /nfs/dbraw/zinc/90/96/41/662909641.db2.gz MCZKWIVTQCWXFK-UHFFFAOYSA-N 1 0 382.302 2.554 20 0 GFADRO COCCN(CC1CC[NH+](C)CC1)C(=O)Nc1cncc(Br)c1 ZINC000879030142 662913720 /nfs/dbraw/zinc/91/37/20/662913720.db2.gz CKMOOKYYKVQELE-UHFFFAOYSA-N 1 0 385.306 2.666 20 0 GFADRO Cn1ncc(Br)c1CC(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000879270326 662922250 /nfs/dbraw/zinc/92/22/50/662922250.db2.gz QFGLQHXPTSXQNJ-UHFFFAOYSA-N 1 0 397.361 2.840 20 0 GFADRO O=C(Nc1ncc(C(F)(F)F)s1)N1CCC([NH2+]C2CCOCC2)CC1 ZINC000879347063 662923837 /nfs/dbraw/zinc/92/38/37/662923837.db2.gz NMUNKVFROPJDIH-UHFFFAOYSA-N 1 0 378.420 2.927 20 0 GFADRO COC(=O)c1cccc(NC(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)c1Br ZINC000879374090 662924505 /nfs/dbraw/zinc/92/45/05/662924505.db2.gz BEAGAPTWGZSQKD-SMDDNHRTSA-N 1 0 396.285 2.794 20 0 GFADRO COC(=O)C[C@](C)([NH2+]CC(=O)Nc1ccc(Br)cc1F)C1CC1 ZINC000879440741 662926014 /nfs/dbraw/zinc/92/60/14/662926014.db2.gz HBPLKFXLNDCLLN-INIZCTEOSA-N 1 0 387.249 2.848 20 0 GFADRO CNC(=O)c1cccc(NC(=O)N2CC[N@H+](C)C(C)(C)CC2)c1Br ZINC000879557561 662929407 /nfs/dbraw/zinc/92/94/07/662929407.db2.gz ZVSCSKVUXKPIEP-UHFFFAOYSA-N 1 0 397.317 2.757 20 0 GFADRO C[N@@H+]1CC[C@H]2CN(CCC(=O)Nc3ccc(Br)cc3F)CC[C@H]21 ZINC000879571932 662929742 /nfs/dbraw/zinc/92/97/42/662929742.db2.gz UROCOUPREPKSNT-BLLLJJGKSA-N 1 0 384.293 2.943 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(CC(=O)Nc3c(F)cc(F)cc3Br)CC[C@@H]21 ZINC000879575828 662929760 /nfs/dbraw/zinc/92/97/60/662929760.db2.gz PWGUHCBNMRJVEX-YGRLFVJLSA-N 1 0 388.256 2.692 20 0 GFADRO Cn1nc(Br)cc1NC(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000879644409 662933275 /nfs/dbraw/zinc/93/32/75/662933275.db2.gz ZUIXGSNGKCOYJB-UHFFFAOYSA-N 1 0 393.289 2.616 20 0 GFADRO Cn1nc(Br)cc1NC(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000879644768 662933427 /nfs/dbraw/zinc/93/34/27/662933427.db2.gz LEPVEZIULINQRL-NSHDSACASA-N 1 0 382.262 2.734 20 0 GFADRO C[NH+](C)C1(C)CCC(NC(=O)Nc2nc3cc(Br)ccn3n2)CC1 ZINC000879787100 662939437 /nfs/dbraw/zinc/93/94/37/662939437.db2.gz DCUYGTZTBWONKZ-UHFFFAOYSA-N 1 0 395.305 2.876 20 0 GFADRO CC(C)(O)[C@@H]1CC[N@H+](C[C@@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000880144882 662952442 /nfs/dbraw/zinc/95/24/42/662952442.db2.gz FOFQIBQJTDBTJY-DGCLKSJQSA-N 1 0 392.721 2.935 20 0 GFADRO COC(=O)[C@]12CCC[C@H]1N(CC(=O)Nc1ccccc1Br)CC2 ZINC000880180909 662953612 /nfs/dbraw/zinc/95/36/12/662953612.db2.gz JZKFKRNTPBAOQW-PBHICJAKSA-N 1 0 381.270 2.805 20 0 GFADRO COC(=O)c1scc(C)c1NC(=O)[C@H](C)[N@H+](C[C@@H](O)CSC)C(C)C ZINC000880215993 662954797 /nfs/dbraw/zinc/95/47/97/662954797.db2.gz MBHFASCNLNCIMV-QWHCGFSZSA-N 1 0 388.555 2.604 20 0 GFADRO NC(=O)C1([NH+]2CCCCC2)CCN(Cc2cc(Br)cs2)CC1 ZINC000880249709 662956460 /nfs/dbraw/zinc/95/64/60/662956460.db2.gz FZSMLDZMFRKYTN-UHFFFAOYSA-N 1 0 386.359 2.816 20 0 GFADRO O=C(CC[N@H+]1C[C@@H](O)CC2(CCOCC2)C1)Nc1ccccc1Br ZINC000880583171 662963098 /nfs/dbraw/zinc/96/30/98/662963098.db2.gz VPFZMKDKDLTWME-AWEZNQCLSA-N 1 0 397.313 2.641 20 0 GFADRO COC(=O)c1ccc(C[N@@H+]2C[C@H](O)CC3(CCOCC3)C2)c(Br)c1 ZINC000880585341 662963257 /nfs/dbraw/zinc/96/32/57/662963257.db2.gz PWFNGVAWTXTQAS-OAHLLOKOSA-N 1 0 398.297 2.599 20 0 GFADRO O[C@H](COc1ccc(Cl)c(Cl)c1)C[N@@H+]1C[C@@H](O)CC2(CCOCC2)C1 ZINC000880588894 662963655 /nfs/dbraw/zinc/96/36/55/662963655.db2.gz YKOVHSUQRDMXOL-KBPBESRZSA-N 1 0 390.307 2.597 20 0 GFADRO O=C(N[C@@H](c1cccc(Cl)c1)C(F)F)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000881217839 662985197 /nfs/dbraw/zinc/98/51/97/662985197.db2.gz AJTRFJWNPWCJGK-GJZGRUSLSA-N 1 0 375.847 2.792 20 0 GFADRO CC(C)[N@@H+](C)C[C@H](C)NC(=O)Nc1cc(Br)cc2c1NC(=O)CO2 ZINC000881272506 662987656 /nfs/dbraw/zinc/98/76/56/662987656.db2.gz YBSAHHMZHRFUOD-JTQLQIEISA-N 1 0 399.289 2.630 20 0 GFADRO C[C@](O)(Cn1cc(C[C@H]2CC[NH2+]C2)nn1)c1ccc(Br)cc1Cl ZINC000881422707 662993526 /nfs/dbraw/zinc/99/35/26/662993526.db2.gz FNSHIOHYQTYNPC-BZNIZROVSA-N 1 0 399.720 2.754 20 0 GFADRO COc1ccc(C(=O)N2CCN(c3cc[nH+]cc3)[C@@H](C)C2)nc1Br ZINC000881632439 662998526 /nfs/dbraw/zinc/99/85/26/662998526.db2.gz NNQHAAKIHUNSGL-LBPRGKRZSA-N 1 0 391.269 2.599 20 0 GFADRO CC(C)(C)[NH+]1CCC(NS(=O)(=O)N=[S@@](C)(=O)C2CCCCC2)CC1 ZINC000881801568 663003856 /nfs/dbraw/zinc/00/38/56/663003856.db2.gz LDAHYQSZOSCLPU-QHCPKHFHSA-N 1 0 379.592 2.514 20 0 GFADRO N=[S@](=O)(c1ccc(N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)cc1)C(F)(F)F ZINC000881915148 663009576 /nfs/dbraw/zinc/00/95/76/663009576.db2.gz JAPKCLBXULIBBV-XESHVACXSA-N 1 0 377.432 2.647 20 0 GFADRO CC[N@H+](C)C[C@H]1CCN(S(=O)(=O)c2cnc(Cl)cc2C(F)(F)F)C1 ZINC000881954049 663010783 /nfs/dbraw/zinc/01/07/83/663010783.db2.gz PMTPYWABOAPPJP-SNVBAGLBSA-N 1 0 385.839 2.716 20 0 GFADRO C[NH+](C)Cc1cc(CNc2ccc3nnc(Br)n3n2)ccc1F ZINC000881986240 663012421 /nfs/dbraw/zinc/01/24/21/663012421.db2.gz YRLJMKHTQPUASO-UHFFFAOYSA-N 1 0 379.237 2.700 20 0 GFADRO C[NH+](C)C[C@H]1CN(S(=O)(=O)CC[C@H]2CC2(Cl)Cl)c2ccccc2O1 ZINC000881992972 663012651 /nfs/dbraw/zinc/01/26/51/663012651.db2.gz WQLUTIDQVGBSCC-STQMWFEESA-N 1 0 393.336 2.729 20 0 GFADRO C[NH+](C)C[C@H]1CN(S(=O)(=O)CC[C@@H]2CC2(Cl)Cl)c2ccccc2O1 ZINC000881992970 663012688 /nfs/dbraw/zinc/01/26/88/663012688.db2.gz WQLUTIDQVGBSCC-OLZOCXBDSA-N 1 0 393.336 2.729 20 0 GFADRO C[N@H+](CCNc1ccc2nnc(Br)n2n1)Cc1ccc(F)cc1 ZINC000882055274 663015239 /nfs/dbraw/zinc/01/52/39/663015239.db2.gz JGWDOWKLXMAEKS-UHFFFAOYSA-N 1 0 379.237 2.570 20 0 GFADRO COC[C@@H]([NH2+]Cc1cc(Br)c2c(c1)OCCO2)[C@H]1CCCOC1 ZINC000883180651 663050948 /nfs/dbraw/zinc/05/09/48/663050948.db2.gz HOXMVSZIYHYOBB-DZGCQCFKSA-N 1 0 386.286 2.752 20 0 GFADRO Brc1ccsc1CC[NH2+]Cc1cn(Cc2cccnc2)nn1 ZINC000883283074 663052221 /nfs/dbraw/zinc/05/22/21/663052221.db2.gz PZEYMTVFWBXYTC-UHFFFAOYSA-N 1 0 378.299 2.878 20 0 GFADRO CC(C)(C)NS(=O)(=O)C1(C[NH2+]Cc2c(C3CC3)nc3sccn23)CC1 ZINC000883291341 663052537 /nfs/dbraw/zinc/05/25/37/663052537.db2.gz AQHJCCHNALMEEJ-UHFFFAOYSA-N 1 0 382.555 2.613 20 0 GFADRO C[C@@H]([NH2+]CC1(S(=O)(=O)NC(C)(C)C)CC1)c1ccc(Br)cn1 ZINC000883301022 663053025 /nfs/dbraw/zinc/05/30/25/663053025.db2.gz OBBNEYCACGJCOX-LLVKDONJSA-N 1 0 390.347 2.745 20 0 GFADRO C[C@H]([NH2+]CC[C@H]1CCCS1(=O)=O)c1ccccc1I ZINC000883306112 663053278 /nfs/dbraw/zinc/05/32/78/663053278.db2.gz NSDGWOBNHQKULI-NWDGAFQWSA-N 1 0 393.290 2.909 20 0 GFADRO CCc1nn(C)cc1C[NH2+][C@H]1CCc2cc(Br)ccc2NC1=O ZINC000883386176 663054627 /nfs/dbraw/zinc/05/46/27/663054627.db2.gz AZELKIIXCAFPHZ-INIZCTEOSA-N 1 0 377.286 2.788 20 0 GFADRO [NH3+]CCCN(CC(F)(F)F)S(=O)(=O)c1ccc2nc(Cl)sc2c1 ZINC000883471151 663055624 /nfs/dbraw/zinc/05/56/24/663055624.db2.gz YGZSMALZHWOSKH-UHFFFAOYSA-N 1 0 387.836 2.852 20 0 GFADRO CCC1([NH3+])CCN(S(=O)(=O)c2ccc(Br)c(C(C)=O)c2)CC1 ZINC000883483689 663056093 /nfs/dbraw/zinc/05/60/93/663056093.db2.gz QOUFRBRLFZMVHE-UHFFFAOYSA-N 1 0 389.315 2.544 20 0 GFADRO Cc1ccc(NC(=O)N2CCc3sc(C[NH3+])nc3C2)c(Br)n1 ZINC000883547510 663056904 /nfs/dbraw/zinc/05/69/04/663056904.db2.gz NWPZOYXSKCASGS-UHFFFAOYSA-N 1 0 382.287 2.658 20 0 GFADRO CSc1nnc(CNC(=O)N2CCN([C@@H](C)c3ccccc3)CC2)s1 ZINC000883594147 663057493 /nfs/dbraw/zinc/05/74/93/663057493.db2.gz ZOEZEOFZVCVEQD-ZDUSSCGKSA-N 1 0 377.539 2.848 20 0 GFADRO C[C@@H]([NH3+])c1ccc(NC(=O)C(=O)NCCc2sccc2Br)cc1 ZINC000883629803 663058480 /nfs/dbraw/zinc/05/84/80/663058480.db2.gz FONVQTYYABOQTE-SNVBAGLBSA-N 1 0 396.310 2.828 20 0 GFADRO C[C@@]1(CCNC(=O)N2CCC[C@H]([NH2+]C3CCOCC3)C2)CC1(Cl)Cl ZINC000883729130 663059813 /nfs/dbraw/zinc/05/98/13/663059813.db2.gz JIJGRONEGFGIBJ-GOEBONIOSA-N 1 0 378.344 2.903 20 0 GFADRO [NH3+]CC1(NC(=O)c2cc(Br)nn2-c2ncccc2Cl)CCCC1 ZINC000884030171 663063989 /nfs/dbraw/zinc/06/39/89/663063989.db2.gz IBHSBOVDPFLEBQ-UHFFFAOYSA-N 1 0 398.692 2.685 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)c1ccnc(N2CC[NH2+]CC2)c1 ZINC000884053413 663064186 /nfs/dbraw/zinc/06/41/86/663064186.db2.gz VYXPJXOPGMDUIZ-UHFFFAOYSA-N 1 0 375.270 2.814 20 0 GFADRO CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)[C@H]([NH3+])CCOC ZINC000884053073 663064266 /nfs/dbraw/zinc/06/42/66/663064266.db2.gz KYGZAXGKRDCTAT-CYBMUJFWSA-N 1 0 376.284 2.534 20 0 GFADRO COc1ccc(OC)c(CCNC(=O)[C@@H]([NH3+])c2ccc(Br)cc2)c1 ZINC000884068532 663064546 /nfs/dbraw/zinc/06/45/46/663064546.db2.gz UPFJSGXWXBWZOY-KRWDZBQOSA-N 1 0 393.281 2.825 20 0 GFADRO COCC[C@H]([NH3+])C(=O)N1CCC(OCc2ccc(Cl)c(Cl)c2)CC1 ZINC000884163041 663066233 /nfs/dbraw/zinc/06/62/33/663066233.db2.gz VGTCXGQJCAQSRJ-INIZCTEOSA-N 1 0 375.296 2.865 20 0 GFADRO CCN1CCc2nc(NC(=O)[C@@H]([NH3+])c3ccc(Br)cc3)sc2C1 ZINC000884176471 663066621 /nfs/dbraw/zinc/06/66/21/663066621.db2.gz GPQWRAHEIGMCLH-AWEZNQCLSA-N 1 0 395.326 2.922 20 0 GFADRO COCC[C@H]([NH3+])C(=O)Nc1ccc(Oc2cccc(Br)c2)nc1 ZINC000884209324 663067075 /nfs/dbraw/zinc/06/70/75/663067075.db2.gz XHASSXOREVNYLY-AWEZNQCLSA-N 1 0 380.242 2.939 20 0 GFADRO O=C(N[C@H]1C[NH2+]CCC1(F)F)c1ccc(OC(F)F)c(Br)c1 ZINC000884298686 663068429 /nfs/dbraw/zinc/06/84/29/663068429.db2.gz AVVPGWHQQNKLCT-JTQLQIEISA-N 1 0 385.155 2.778 20 0 GFADRO O=C(COCCc1ccc(Br)cc1)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000884370959 663069696 /nfs/dbraw/zinc/06/96/96/663069696.db2.gz AURAQNIQNUELOY-MRXNPFEDSA-N 1 0 381.314 2.799 20 0 GFADRO [NH3+]C1(CNC(=O)c2cc(Br)nn2-c2ncccc2Cl)CCCC1 ZINC000884403874 663070135 /nfs/dbraw/zinc/07/01/35/663070135.db2.gz UJKLDZHSCSDGPS-UHFFFAOYSA-N 1 0 398.692 2.685 20 0 GFADRO CC1(C)Cc2n[nH]cc2CN(C(=O)[C@@H]([NH3+])c2ccc(Br)cc2)C1 ZINC000884425135 663070551 /nfs/dbraw/zinc/07/05/51/663070551.db2.gz YIFKTLGCBVFFTR-HNNXBMFYSA-N 1 0 377.286 2.783 20 0 GFADRO [NH3+][C@@H](C(=O)NC[C@@H]1Cc2ccccc2CO1)c1ccc(Br)cc1 ZINC000884428641 663070617 /nfs/dbraw/zinc/07/06/17/663070617.db2.gz IYARANNJNIHGHS-DLBZAZTESA-N 1 0 375.266 2.707 20 0 GFADRO COc1cc(Br)ccc1NC(=O)c1ccnc(N2CC[NH2+]CC2)c1 ZINC000884464472 663071130 /nfs/dbraw/zinc/07/11/30/663071130.db2.gz QFTZVBCKVZBGFP-UHFFFAOYSA-N 1 0 391.269 2.515 20 0 GFADRO Cc1[nH]c(C2CCN(c3ccc4nnc(Br)n4n3)CC2)[nH+]c1C ZINC000884706185 663073791 /nfs/dbraw/zinc/07/37/91/663073791.db2.gz USVFOTGMDSPYEM-UHFFFAOYSA-N 1 0 376.262 2.611 20 0 GFADRO CC[NH+]1CCN(CCC(=O)N2CCc3cc(Br)c(F)cc3C2)CC1 ZINC000884927963 663078734 /nfs/dbraw/zinc/07/87/34/663078734.db2.gz QJIGAOFVODGJMK-UHFFFAOYSA-N 1 0 398.320 2.501 20 0 GFADRO Cc1cc(Br)sc1S(=O)(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000884959819 663079800 /nfs/dbraw/zinc/07/98/00/663079800.db2.gz ODHXQQFXZLSTBQ-GHMZBOCLSA-N 1 0 379.345 2.724 20 0 GFADRO Cc1cc(Br)ccc1CS(=O)(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000885032319 663083384 /nfs/dbraw/zinc/08/33/84/663083384.db2.gz WCOUDOIUANNSQR-SWLSCSKDSA-N 1 0 375.332 2.660 20 0 GFADRO C[C@H]1CN(c2cc[nH+]cc2)CCN1S(=O)(=O)c1c(Cl)ccnc1Cl ZINC000885847319 663099095 /nfs/dbraw/zinc/09/90/95/663099095.db2.gz HFWQJLMOQNIRKQ-NSHDSACASA-N 1 0 387.292 2.683 20 0 GFADRO O=C(NC[C@H]1CC[N@@H+]1C1CCOCC1)c1cc(F)cc(Br)c1F ZINC000885855583 663099207 /nfs/dbraw/zinc/09/92/07/663099207.db2.gz VLELTQRBAZGBQV-GFCCVEGCSA-N 1 0 389.240 2.710 20 0 GFADRO C[C@H](C(=O)NC[C@H]1CC[N@@H+]1C1CCOCC1)c1ccc(Br)s1 ZINC000885873206 663099692 /nfs/dbraw/zinc/09/96/92/663099692.db2.gz PJGGYQNJMFVHDA-WCQYABFASA-N 1 0 387.343 2.984 20 0 GFADRO O=C(CCc1cc(F)ccc1Br)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000885879137 663100110 /nfs/dbraw/zinc/10/01/10/663100110.db2.gz FBQDLYKRGZFOED-INIZCTEOSA-N 1 0 399.304 2.890 20 0 GFADRO Cc1cc(Br)c(CC(=O)NC[C@@H]2CC[N@@H+]2C2CCOCC2)s1 ZINC000885895800 663100910 /nfs/dbraw/zinc/10/09/10/663100910.db2.gz NOQLOFFLEWVILP-ZDUSSCGKSA-N 1 0 387.343 2.731 20 0 GFADRO C[C@@](O)(C[N@@H+]1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1)C(F)F ZINC000886051998 663102783 /nfs/dbraw/zinc/10/27/83/663102783.db2.gz IVZBILKAMSFCKP-ZUZCIYMTSA-N 1 0 392.244 2.511 20 0 GFADRO OC[C@@H](C[NH2+][C@@H]1CCOC2(CCOCC2)C1)Cc1ccc(Br)cc1 ZINC000886092306 663103084 /nfs/dbraw/zinc/10/30/84/663103084.db2.gz TUUCMRHCZQBOEX-SJLPKXTDSA-N 1 0 398.341 2.918 20 0 GFADRO OC[C@H](C[NH2+][C@H]1CCOC2(CCOCC2)C1)Cc1cccc(Br)c1 ZINC000886091448 663103088 /nfs/dbraw/zinc/10/30/88/663103088.db2.gz ADAJLXJQTYMMNJ-WMZOPIPTSA-N 1 0 398.341 2.918 20 0 GFADRO Cc1nn(Cc2ccccc2Cl)c(Cl)c1C[NH2+]CCN1CCNC1=O ZINC000886324263 663108128 /nfs/dbraw/zinc/10/81/28/663108128.db2.gz FNYCIZNUJWYLNQ-UHFFFAOYSA-N 1 0 382.295 2.661 20 0 GFADRO C[C@@H]1C[C@]2(CC[C@H](C[NH2+]Cc3cn4ccc(Br)cc4n3)O2)CO1 ZINC000886330720 663108420 /nfs/dbraw/zinc/10/84/20/663108420.db2.gz WHBQIFKLLVDTRP-SRCQZFHVSA-N 1 0 380.286 2.913 20 0 GFADRO O[C@H](COc1cc(F)cc(Br)c1)C[N@@H+]1CC[C@@H]([C@H]2CCCO2)C1 ZINC000886822388 663120508 /nfs/dbraw/zinc/12/05/08/663120508.db2.gz PYUIQHNQGCSRTO-ISTRZQFTSA-N 1 0 388.277 2.829 20 0 GFADRO C[C@H](C(=O)NC1(c2ncc(Br)cn2)CCC1)[NH+]1CCCCCC1 ZINC000886839246 663121736 /nfs/dbraw/zinc/12/17/36/663121736.db2.gz ZZHFHJHMWQZOOA-CYBMUJFWSA-N 1 0 381.318 2.999 20 0 GFADRO NC(=O)[C@@H](c1ccc(Br)cc1F)N1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886871755 663123323 /nfs/dbraw/zinc/12/33/23/663123323.db2.gz ACKQZJMKSATEEU-WBVHZDCISA-N 1 0 384.293 2.580 20 0 GFADRO Cc1cc(Br)ccc1CS(=O)(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000886885021 663123434 /nfs/dbraw/zinc/12/34/34/663123434.db2.gz FLFMKXFIHATRIZ-HNNXBMFYSA-N 1 0 375.332 2.567 20 0 GFADRO Cc1cc(S(=O)(=O)NC[C@H]2C[NH2+]CCC2(F)F)c(C)cc1Br ZINC000886896381 663123991 /nfs/dbraw/zinc/12/39/91/663123991.db2.gz HUZHFBZECHICFW-LLVKDONJSA-N 1 0 397.285 2.589 20 0 GFADRO COC[C@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1Br)[C@H]1CCCOC1 ZINC000886906243 663124484 /nfs/dbraw/zinc/12/44/84/663124484.db2.gz UAMOAWJTTYGGBX-XEZPLFJOSA-N 1 0 385.302 2.807 20 0 GFADRO COC[C@H]([NH2+][C@H](C)C(=O)Nc1cccc(Br)c1)[C@H]1CCCOC1 ZINC000886908772 663124589 /nfs/dbraw/zinc/12/45/89/663124589.db2.gz YVZVIVWEGYLMCK-WWGRRREGSA-N 1 0 385.302 2.807 20 0 GFADRO COC[C@H]([NH2+][C@@H](C)C(=O)Nc1cccc(Br)c1)[C@@H]1CCCOC1 ZINC000886908774 663124644 /nfs/dbraw/zinc/12/46/44/663124644.db2.gz YVZVIVWEGYLMCK-ZENOOKHLSA-N 1 0 385.302 2.807 20 0 GFADRO COC[C@@H]([NH2+]CC(=O)Nc1nc(-c2cccs2)cs1)[C@H]1CCCOC1 ZINC000886913356 663124720 /nfs/dbraw/zinc/12/47/20/663124720.db2.gz AMXVTBYZQUDXHS-QWHCGFSZSA-N 1 0 381.523 2.841 20 0 GFADRO CC[NH2+]CCCNC(=O)C(=O)Nc1cc(Br)c2ccccc2c1 ZINC000886982172 663127160 /nfs/dbraw/zinc/12/71/60/663127160.db2.gz HQXYTPOXGMMROA-UHFFFAOYSA-N 1 0 378.270 2.657 20 0 GFADRO C[C@H](Cc1nc(-c2cn(C[C@@H]3CCC[NH2+]3)nn2)cs1)n1cc(Cl)cn1 ZINC000887446668 663146807 /nfs/dbraw/zinc/14/68/07/663146807.db2.gz HVRFUWWCGHGCRM-YPMHNXCESA-N 1 0 377.905 2.807 20 0 GFADRO C[N@H+](CCO)CCNC(=O)Nc1ccc(C(F)(F)F)cc1Br ZINC000887920429 663170002 /nfs/dbraw/zinc/17/00/02/663170002.db2.gz QPYZNEVQRQARPC-UHFFFAOYSA-N 1 0 384.196 2.514 20 0 GFADRO O=C(NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)N[C@H](CCO)C(F)(F)F ZINC000888010430 663175008 /nfs/dbraw/zinc/17/50/08/663175008.db2.gz ADTISILNFGQITR-GXTWGEPZSA-N 1 0 379.448 2.573 20 0 GFADRO Cn1cc(C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)c(Br)n1 ZINC000888991577 663228556 /nfs/dbraw/zinc/22/85/56/663228556.db2.gz HFWRAJWOCQCLIY-CQSZACIVSA-N 1 0 377.286 2.577 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)c2cn(C)nc2Br)CC[N@@H+]1Cc1ccccc1 ZINC000889401647 663243700 /nfs/dbraw/zinc/24/37/00/663243700.db2.gz ONCCKDVALAOJDX-HIFRSBDPSA-N 1 0 391.313 2.966 20 0 GFADRO O=C(CCCc1ccc(Br)cc1)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000889741078 663262011 /nfs/dbraw/zinc/26/20/11/663262011.db2.gz ATFDUSKOWOPQTM-ZWKOTPCHSA-N 1 0 395.341 2.829 20 0 GFADRO Cc1ccc(F)c(Br)c1C(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000889743290 663262627 /nfs/dbraw/zinc/26/26/27/663262627.db2.gz NCBIPZJTQDXLCZ-UONOGXRCSA-N 1 0 385.277 2.568 20 0 GFADRO C/C(=C/c1ccc(Br)o1)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000889743241 663262640 /nfs/dbraw/zinc/26/26/40/663262640.db2.gz MSSKHMMFLAEAMF-HRFGFKIASA-N 1 0 383.286 2.503 20 0 GFADRO C[C@H](C(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO)c1cccc(Br)c1 ZINC000889757476 663263577 /nfs/dbraw/zinc/26/35/77/663263577.db2.gz VQLGCXGKFPKZJD-IAOVAPTHSA-N 1 0 381.314 2.610 20 0 GFADRO O=C(CCCc1ccccc1Br)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000889761531 663264436 /nfs/dbraw/zinc/26/44/36/663264436.db2.gz GSKJXVSMZYWEGC-ROUUACIJSA-N 1 0 395.341 2.829 20 0 GFADRO O=C(c1ccc(Cl)c(Br)c1)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000889764406 663264946 /nfs/dbraw/zinc/26/49/46/663264946.db2.gz RFHCSPQXTBPRNL-LSDHHAIUSA-N 1 0 387.705 2.774 20 0 GFADRO O=C(c1ccc(Cl)cc1Br)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000889763179 663265015 /nfs/dbraw/zinc/26/50/15/663265015.db2.gz MVDLOIJPRSJOFA-CABCVRRESA-N 1 0 387.705 2.774 20 0 GFADRO O=C([C@H]1Cc2cc(Br)ccc2O1)N1CCC([NH2+]C2CCC2)CC1 ZINC000889826565 663270580 /nfs/dbraw/zinc/27/05/80/663270580.db2.gz RRCDWLPDTCAUNP-QGZVFWFLSA-N 1 0 379.298 2.886 20 0 GFADRO CN(CC(C)(C)C[NH+](C)C)C(=O)c1cccnc1-n1cc(Br)cn1 ZINC000890881130 663315846 /nfs/dbraw/zinc/31/58/46/663315846.db2.gz MFBNVBCGNXRKCY-UHFFFAOYSA-N 1 0 394.317 2.690 20 0 GFADRO CCn1ncc(C(=O)NC2(C(F)(F)F)CC[NH+](CC)CC2)c1Br ZINC000891212467 663329913 /nfs/dbraw/zinc/32/99/13/663329913.db2.gz RQWZPTPXHWKWOZ-UHFFFAOYSA-N 1 0 397.239 2.812 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)NCc2csc(Br)c2)C[C@H]1C(F)(F)F ZINC000891372641 663337612 /nfs/dbraw/zinc/33/76/12/663337612.db2.gz YDHVERQOJBYVFV-DTWKUNHWSA-N 1 0 386.237 2.789 20 0 GFADRO C[C@H](NC(=O)NCCC(C)(C)[NH3+])c1cc2c(cc1Br)OCCO2 ZINC000891395099 663338238 /nfs/dbraw/zinc/33/82/38/663338238.db2.gz OYCFMIGNHRVQHR-JTQLQIEISA-N 1 0 386.290 2.708 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)NCc2ccc(F)cc2Br)C[C@H]1C(F)(F)F ZINC000891412741 663338991 /nfs/dbraw/zinc/33/89/91/663338991.db2.gz QKTXZJHYDSXAPY-GXSJLCMTSA-N 1 0 398.198 2.867 20 0 GFADRO [NH3+]Cc1nc2c(s1)CCN(C(=O)NCc1ccccc1Br)C2 ZINC000891456092 663339922 /nfs/dbraw/zinc/33/99/22/663339922.db2.gz MYPKTWUAZLVUDD-UHFFFAOYSA-N 1 0 381.299 2.632 20 0 GFADRO [NH3+]Cc1nc2c(s1)CCN(C(=O)NCc1ccc(Br)cc1)C2 ZINC000891529622 663342616 /nfs/dbraw/zinc/34/26/16/663342616.db2.gz XBQJEZXUCSYNRN-UHFFFAOYSA-N 1 0 381.299 2.632 20 0 GFADRO Cc1cc(Br)ccc1CNC(=O)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000891537674 663343010 /nfs/dbraw/zinc/34/30/10/663343010.db2.gz DTRYMDCQNOKOFU-LBPRGKRZSA-N 1 0 376.245 2.802 20 0 GFADRO CC(C)(C)c1nc(CCNC(=O)N2CCc3sc(C[NH3+])nc3C2)cs1 ZINC000891733111 663349063 /nfs/dbraw/zinc/34/90/63/663349063.db2.gz YISAPERCBZMMPY-UHFFFAOYSA-N 1 0 379.555 2.666 20 0 GFADRO COCCCNC(=O)C1CC[NH+](Cc2cnc(CC(F)(F)F)s2)CC1 ZINC000891772302 663349943 /nfs/dbraw/zinc/34/99/43/663349943.db2.gz LIPITIJXPCYXRY-UHFFFAOYSA-N 1 0 379.448 2.613 20 0 GFADRO O=C(NC[C@@H]1C[NH2+]CCC1(F)F)N[C@@H]1C[C@H]1c1ccccc1Br ZINC000891870467 663353559 /nfs/dbraw/zinc/35/35/59/663353559.db2.gz SOTOROYEMQVERB-VHRBIJSZSA-N 1 0 388.256 2.849 20 0 GFADRO COC[C@H](NC(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1)c1cccc(Cl)c1 ZINC000891900764 663354707 /nfs/dbraw/zinc/35/47/07/663354707.db2.gz BGJSBODRLKHQOE-YUTCNCBUSA-N 1 0 379.810 2.806 20 0 GFADRO C[C@H](NC(=O)N[C@@H]1[C@H]2Cc3cc(Br)ccc3[C@@H]12)[C@H]1CCC[NH2+]C1 ZINC000891981735 663357540 /nfs/dbraw/zinc/35/75/40/663357540.db2.gz OGKZBFNWUYFEGT-RKUHIEFHSA-N 1 0 378.314 2.775 20 0 GFADRO [NH3+]C[C@H]1CC[C@H](NC(=O)N[C@@H]2[C@@H]3Cc4c(cccc4Br)[C@@H]32)CC1 ZINC000892323795 663369397 /nfs/dbraw/zinc/36/93/97/663369397.db2.gz XGYDHXXCFHSTFX-ZNVAPMETSA-N 1 0 378.314 2.904 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)N[C@@H]2[C@H]3Cc4cc(Br)ccc4[C@@H]23)C1 ZINC000892425316 663373210 /nfs/dbraw/zinc/37/32/10/663373210.db2.gz ABMILVITTGVRGY-RKUHIEFHSA-N 1 0 378.314 2.856 20 0 GFADRO [NH3+]C[C@H]1CC[C@H](NC(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)CC1 ZINC000892450160 663374036 /nfs/dbraw/zinc/37/40/36/663374036.db2.gz SGGVDVGNGRUYIS-MQMHXKEQSA-N 1 0 386.327 2.738 20 0 GFADRO COc1ccc(Br)cc1CNC(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2C ZINC000892505912 663376032 /nfs/dbraw/zinc/37/60/32/663376032.db2.gz NYCHNUUTNUGACY-CABCVRRESA-N 1 0 382.302 2.836 20 0 GFADRO CC(C)(C)OC(=O)Nc1ccsc1C[NH2+]C1CCN(S(C)(=O)=O)CC1 ZINC000892531150 663376770 /nfs/dbraw/zinc/37/67/70/663376770.db2.gz KKXVAGNAKUSKNO-UHFFFAOYSA-N 1 0 389.543 2.609 20 0 GFADRO O=C1CCCN1Cc1ccc(C[NH2+]Cc2ncc(Br)cc2O)cc1 ZINC000892650021 663379819 /nfs/dbraw/zinc/37/98/19/663379819.db2.gz UAFABKSXRKCKBW-UHFFFAOYSA-N 1 0 390.281 2.962 20 0 GFADRO Cn1cc(NC(=O)/C=C\c2ccc(OCC[NH+](C)C)cc2)c(Br)n1 ZINC000892681617 663380985 /nfs/dbraw/zinc/38/09/85/663380985.db2.gz QTQTVOORCNLKPX-TWGQIWQCSA-N 1 0 393.285 2.775 20 0 GFADRO COCCN1CCC([NH2+]Cc2ccc(Br)cc2NC(C)=O)CC1 ZINC000892724030 663383219 /nfs/dbraw/zinc/38/32/19/663383219.db2.gz NNQDRIGTFDUKCW-UHFFFAOYSA-N 1 0 384.318 2.608 20 0 GFADRO Cn1nc2cc(Br)ccc2c1C(=O)N[C@]1(C)C[NH+]2CCC1CC2 ZINC000892766361 663384060 /nfs/dbraw/zinc/38/40/60/663384060.db2.gz KAMPGORZMYJRTP-QGZVFWFLSA-N 1 0 377.286 2.550 20 0 GFADRO C[C@]1(NC(=O)c2ccc3cncc(Br)c3n2)C[NH+]2CCC1CC2 ZINC000892764009 663384196 /nfs/dbraw/zinc/38/41/96/663384196.db2.gz QLVIJPSXUIVYRR-KRWDZBQOSA-N 1 0 375.270 2.606 20 0 GFADRO COC(=O)N1CCC[C@H]([NH2+]Cc2ccc(Br)cc2NC(C)=O)C1 ZINC000892807610 663385322 /nfs/dbraw/zinc/38/53/22/663385322.db2.gz XORGSOSPENXSRS-AWEZNQCLSA-N 1 0 384.274 2.728 20 0 GFADRO Cc1nc2c(s1)[C@H](N(C)C(=O)N1CCc3sc(C[NH3+])nc3C1)CCC2 ZINC000892882335 663388152 /nfs/dbraw/zinc/38/81/52/663388152.db2.gz IFJFUBRLQUDXGV-CYBMUJFWSA-N 1 0 377.539 2.854 20 0 GFADRO CCN(CC)S(=O)(=O)c1ccc(CC[NH2+]Cc2cn(CC)nc2C)s1 ZINC000892903865 663389220 /nfs/dbraw/zinc/38/92/20/663389220.db2.gz YKCICNYNSUNJFK-UHFFFAOYSA-N 1 0 384.571 2.636 20 0 GFADRO CCC1([NH3+])CCN(C(=O)NC(C)(C)COc2ncccc2Br)CC1 ZINC000892924958 663389861 /nfs/dbraw/zinc/38/98/61/663389861.db2.gz FIFYXOWYHUSSDM-UHFFFAOYSA-N 1 0 399.333 2.914 20 0 GFADRO C[C@H]([NH2+]C[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000893274287 663404852 /nfs/dbraw/zinc/40/48/52/663404852.db2.gz NQLGOEUEVCMWAP-CTNYNGJSSA-N 1 0 388.936 2.885 20 0 GFADRO C[C@H]([NH2+][C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)[C@H]1CCS(=O)(=O)C1 ZINC000893397695 663409681 /nfs/dbraw/zinc/40/96/81/663409681.db2.gz DACOOUYEWCCUHF-PGUXBMHVSA-N 1 0 391.320 2.512 20 0 GFADRO CC(C)(C)OC(=O)N1CCC[C@](C)(C[NH2+]CCCCCS(C)(=O)=O)C1 ZINC000893684696 663420056 /nfs/dbraw/zinc/42/00/56/663420056.db2.gz DRUXJPLVLNVGTQ-GOSISDBHSA-N 1 0 376.563 2.828 20 0 GFADRO CC[NH+](CC)CCN(Cc1cccs1)Cc1nc(Br)nn1C ZINC000893909964 663431286 /nfs/dbraw/zinc/43/12/86/663431286.db2.gz BTGYXOQDFBIMDH-UHFFFAOYSA-N 1 0 386.363 2.983 20 0 GFADRO CCS(=O)(=O)c1ccc(C[NH2+]C[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)s1 ZINC000894133979 663444565 /nfs/dbraw/zinc/44/45/65/663444565.db2.gz GUDPPJOJWFUNKQ-BETUJISGSA-N 1 0 388.555 2.935 20 0 GFADRO O=C(CC[NH2+]Cc1sc(N2CCOCC2)nc1Cl)NC1CCCCC1 ZINC000894199102 663448236 /nfs/dbraw/zinc/44/82/36/663448236.db2.gz GTQAMNACKNPRJA-UHFFFAOYSA-N 1 0 386.949 2.562 20 0 GFADRO Cn1ncc(I)c1C[NH2+]CCCc1nc2ccccc2[nH]1 ZINC000894206034 663448493 /nfs/dbraw/zinc/44/84/93/663448493.db2.gz CFWQLVXEOHNKQL-UHFFFAOYSA-N 1 0 395.248 2.623 20 0 GFADRO Cc1csc(CCCC[NH2+]Cc2c(I)cnn2C)n1 ZINC000894218857 663449386 /nfs/dbraw/zinc/44/93/86/663449386.db2.gz MABBKUNOZAZCLB-UHFFFAOYSA-N 1 0 390.294 2.902 20 0 GFADRO Cc1cc(F)ccc1N1CCC[C@H]([NH2+]Cc2nc(Br)nn2C)C1 ZINC000894262211 663451679 /nfs/dbraw/zinc/45/16/79/663451679.db2.gz XOCHXJNGOOZTKB-ZDUSSCGKSA-N 1 0 382.281 2.784 20 0 GFADRO CC(C)[C@H](C[NH2+]Cc1c(I)cnn1C)c1cccnc1 ZINC000894324664 663454753 /nfs/dbraw/zinc/45/47/53/663454753.db2.gz ALWFEIDBQQJJEL-ZDUSSCGKSA-N 1 0 384.265 2.949 20 0 GFADRO CC(C)OC1CCC([NH2+]Cc2c(I)cnn2C)CC1 ZINC000894354764 663456848 /nfs/dbraw/zinc/45/68/48/663456848.db2.gz NYPXVZWOHZPJRX-UHFFFAOYSA-N 1 0 377.270 2.851 20 0 GFADRO Cc1cccc(C[C@H](CO)[NH2+]Cc2sc(N3CCOCC3)nc2Cl)c1 ZINC000894534044 663467328 /nfs/dbraw/zinc/46/73/28/663467328.db2.gz WTSWIWBGSSCEKJ-OAHLLOKOSA-N 1 0 381.929 2.635 20 0 GFADRO Cn1nc(Br)nc1C[NH2+]C[C@@]1(Cc2ccc(F)cc2)CCC[C@@H]1O ZINC000894565688 663468947 /nfs/dbraw/zinc/46/89/47/663468947.db2.gz GLFIIUFSUUOPAC-YOEHRIQHSA-N 1 0 397.292 2.580 20 0 GFADRO CC(C)[C@H]([NH2+]Cc1sc(N2CCOCC2)nc1Cl)[C@H](O)C(F)(F)F ZINC000894681490 663475818 /nfs/dbraw/zinc/47/58/18/663475818.db2.gz VGBZFVKRIVDWJL-QWRGUYRKSA-N 1 0 387.855 2.671 20 0 GFADRO Cc1ccc([C@@H](O)[C@H](C)[NH2+]Cc2cn(C)nc2I)cc1 ZINC000894747294 663479060 /nfs/dbraw/zinc/47/90/60/663479060.db2.gz GGEULIYWALGLCI-FZMZJTMJSA-N 1 0 385.249 2.545 20 0 GFADRO CC[C@@](O)(CCC(F)(F)F)CNC(=O)NCC1(SC)CC[NH+](C)CC1 ZINC000894951010 663491072 /nfs/dbraw/zinc/49/10/72/663491072.db2.gz GSETYSISRAUDMA-CQSZACIVSA-N 1 0 385.496 2.597 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(c3ncnc4c3c(Br)nn4C(C)(C)C)CC[C@@H]21 ZINC000895021596 663495436 /nfs/dbraw/zinc/49/54/36/663495436.db2.gz HLFADCOYLZZTNU-NEPJUHHUSA-N 1 0 393.333 2.874 20 0 GFADRO Cn1cc(CN[C@H]2CC[N@@H+](C3CCCCC3)C2)c(I)n1 ZINC000895273930 663506572 /nfs/dbraw/zinc/50/65/72/663506572.db2.gz MBTWWYYVVXGFNS-ZDUSSCGKSA-N 1 0 388.297 2.521 20 0 GFADRO CCS(=O)(=O)C1(C[NH2+]Cc2ccc(C(=O)OC)cc2C(F)(F)F)CC1 ZINC000895332925 663508560 /nfs/dbraw/zinc/50/85/60/663508560.db2.gz RMGZWYCZGJMDTO-UHFFFAOYSA-N 1 0 379.400 2.549 20 0 GFADRO CCOC(=O)C(F)(F)[C@@H]1CC[C@H]([NH2+]Cc2cnc(Br)cn2)C1 ZINC000895408322 663512585 /nfs/dbraw/zinc/51/25/85/663512585.db2.gz UHOUGWJJJYIQLE-ZJUUUORDSA-N 1 0 378.217 2.696 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)c1nn2c(c1Br)CCC2)c1cccc(F)c1 ZINC000895460567 663515273 /nfs/dbraw/zinc/51/52/73/663515273.db2.gz IEQCKTAZCDYPQO-AWEZNQCLSA-N 1 0 395.276 2.764 20 0 GFADRO COc1cc(CNC(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3C)c(Br)cc1O ZINC000895527463 663517946 /nfs/dbraw/zinc/51/79/46/663517946.db2.gz DWJAVMVAHSSADM-ZIAGYGMSSA-N 1 0 398.301 2.541 20 0 GFADRO COc1ccccc1C[C@@](C)(CO)[NH2+]Cc1ncc(Br)cc1O ZINC000895766828 663526686 /nfs/dbraw/zinc/52/66/86/663526686.db2.gz YOVQPUYOKJJLFB-KRWDZBQOSA-N 1 0 381.270 2.642 20 0 GFADRO O=C1NCC2(CCOCC2)[C@H]1[NH2+]C1CC(c2cccc(Br)c2)C1 ZINC000895769429 663526973 /nfs/dbraw/zinc/52/69/73/663526973.db2.gz OVMIWLKHNVCGFQ-BCLQGDPASA-N 1 0 379.298 2.580 20 0 GFADRO O=C(c1nn2c(c1Br)CCC2)N1CCC([NH+]2CCCCC2)CC1 ZINC000895846608 663530123 /nfs/dbraw/zinc/53/01/23/663530123.db2.gz RCAVCYVMGUWUES-UHFFFAOYSA-N 1 0 381.318 2.682 20 0 GFADRO C[C@@H](NC(=O)c1ccc(OC(F)(F)F)c(Cl)c1)[C@H]1C[N@H+](C)CCN1C ZINC000896533191 663561481 /nfs/dbraw/zinc/56/14/81/663561481.db2.gz YEOQQCUDYFPZSL-ZWNOBZJWSA-N 1 0 379.810 2.603 20 0 GFADRO C[C@H](NC(=O)c1cnc(-c2ccccc2Cl)s1)[C@H]1C[N@H+](C)CCN1C ZINC000896563652 663564111 /nfs/dbraw/zinc/56/41/11/663564111.db2.gz MFNVBIGNYBEQIX-SWLSCSKDSA-N 1 0 378.929 2.828 20 0 GFADRO C[C@](O)(C[NH2+]Cc1sc(N2CCOCC2)nc1Cl)c1cccc(F)c1 ZINC000896562269 663564542 /nfs/dbraw/zinc/56/45/42/663564542.db2.gz ALXUIUOUOFJQAS-KRWDZBQOSA-N 1 0 385.892 2.770 20 0 GFADRO C[C@H](NC(=O)CCCOc1cccc(Cl)c1Cl)[C@H]1C[N@H+](C)CCN1C ZINC000896567610 663564843 /nfs/dbraw/zinc/56/48/43/663564843.db2.gz HCARJECDTOFLFY-DZGCQCFKSA-N 1 0 388.339 2.903 20 0 GFADRO C[NH+](C)CC1CCN(C(=O)COCCc2ccc(Br)cc2)CC1 ZINC000896626048 663568672 /nfs/dbraw/zinc/56/86/72/663568672.db2.gz KVGSVOOWNKNGLZ-UHFFFAOYSA-N 1 0 383.330 2.808 20 0 GFADRO CCOC(=O)[C@@H]1CC[C@H]([NH2+]CC(C)(C)CS(C)(=O)=O)C[C@H]1C(F)(F)F ZINC000896868817 663580165 /nfs/dbraw/zinc/58/01/65/663580165.db2.gz OSDOVGMXAYLYRX-YNEHKIRRSA-N 1 0 387.464 2.557 20 0 GFADRO O=C(c1nn2c(c1Br)CCC2)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000897104549 663591988 /nfs/dbraw/zinc/59/19/88/663591988.db2.gz FVXJHPGASAERQN-GXTWGEPZSA-N 1 0 393.329 2.681 20 0 GFADRO Cc1[nH+]ccc(NCc2cccc(N(C)S(C)(=O)=O)c2)c1Br ZINC000897414748 663604903 /nfs/dbraw/zinc/60/49/03/663604903.db2.gz GKOFYUDFEKDMSO-UHFFFAOYSA-N 1 0 384.299 2.582 20 0 GFADRO C[C@@H](C[NH2+]Cc1cn(C[C@@H]2CCOC2)nn1)c1ccc(Br)cc1 ZINC000897470046 663607065 /nfs/dbraw/zinc/60/70/65/663607065.db2.gz XABGCAVQFSJALZ-KBPBESRZSA-N 1 0 379.302 2.970 20 0 GFADRO CSc1ccc(Br)cc1CC[NH2+][C@@H]1CCCS(=O)(=O)C1 ZINC000897515504 663607957 /nfs/dbraw/zinc/60/79/57/663607957.db2.gz SQVHBFYWTRETPW-CYBMUJFWSA-N 1 0 378.357 2.880 20 0 GFADRO C[N@@H+]1CCCC[C@H](CNC(=O)N[C@H](CCO)c2ccccc2Br)C1 ZINC000897550972 663610033 /nfs/dbraw/zinc/61/00/33/663610033.db2.gz AFZBSDTYXIXIRO-RHSMWYFYSA-N 1 0 398.345 2.904 20 0 GFADRO CN(C[C@H](O)c1cccc(Br)c1)C(=O)NC[C@H]1CCCC[N@H+](C)C1 ZINC000897557913 663610438 /nfs/dbraw/zinc/61/04/38/663610438.db2.gz SRVGQUBWBDSOPG-PBHICJAKSA-N 1 0 398.345 2.856 20 0 GFADRO COc1ccc([C@H]([NH2+]C(C)C)C(=O)NCc2cnc(Br)cn2)cc1 ZINC000897674523 663615308 /nfs/dbraw/zinc/61/53/08/663615308.db2.gz YQZWNDVBSBHPSQ-INIZCTEOSA-N 1 0 393.285 2.603 20 0 GFADRO CO[C@@H]1CCOC[C@H]1[NH2+]Cc1cn(-c2cccc(Br)c2)nc1C ZINC000897890746 663624498 /nfs/dbraw/zinc/62/44/98/663624498.db2.gz WTNARQFMYAGUPI-IAGOWNOFSA-N 1 0 380.286 2.837 20 0 GFADRO Cc1c(Br)cccc1C[C@@H](CO)CNC(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC000897928409 663626078 /nfs/dbraw/zinc/62/60/78/663626078.db2.gz ZGYRVQYADCDHKL-BEFAXECRSA-N 1 0 395.341 2.511 20 0 GFADRO COCc1csc(C[NH2+][C@@H]2Cc3cc(Br)cnc3NC2=O)c1 ZINC000897978166 663628420 /nfs/dbraw/zinc/62/84/20/663628420.db2.gz LWDPRVADXCNPIG-CYBMUJFWSA-N 1 0 382.283 2.705 20 0 GFADRO COCc1cccc(C[NH2+][C@H]2Cc3cc(Br)cnc3NC2=O)c1 ZINC000897979208 663628726 /nfs/dbraw/zinc/62/87/26/663628726.db2.gz YBCOMUMARUWZFG-HNNXBMFYSA-N 1 0 376.254 2.644 20 0 GFADRO COC(=O)c1cc(C[NH2+][C@@](C)(CO)c2cccc(Br)c2)cn1C ZINC000898168961 663636907 /nfs/dbraw/zinc/63/69/07/663636907.db2.gz VJCOIBUTAXHCHQ-KRWDZBQOSA-N 1 0 381.270 2.572 20 0 GFADRO Cc1c(C(=O)NCC=C(Cl)Cl)nnn1-c1cccc2c1CC[N@@H+](C)C2 ZINC000898309233 663642766 /nfs/dbraw/zinc/64/27/66/663642766.db2.gz SKUYYUVJQMODQV-UHFFFAOYSA-N 1 0 380.279 2.612 20 0 GFADRO COC(=O)C1(CCCC[NH2+]Cc2ccc(S(N)(=O)=O)c(Cl)c2)CCC1 ZINC000898408248 663648945 /nfs/dbraw/zinc/64/89/45/663648945.db2.gz NFUWZWWDPBHGSY-UHFFFAOYSA-N 1 0 388.917 2.591 20 0 GFADRO O=C(c1cc(=O)[nH]c2c(Br)cccc12)N1CC([NH+]2CCCC2)C1 ZINC000898609477 663657761 /nfs/dbraw/zinc/65/77/61/663657761.db2.gz KBBZLXLKVZDQMJ-UHFFFAOYSA-N 1 0 376.254 2.623 20 0 GFADRO COc1ccc([C@H]([NH2+]C(C)C)C(=O)NCc2c(Br)cnn2C)cc1 ZINC000899157990 663678112 /nfs/dbraw/zinc/67/81/12/663678112.db2.gz PBDYWQKKNMAQCS-INIZCTEOSA-N 1 0 395.301 2.547 20 0 GFADRO CCC1([NH+]2CCC2)CCN(C(=O)c2cccnc2I)CC1 ZINC000899558115 663693724 /nfs/dbraw/zinc/69/37/24/663693724.db2.gz BKWPMSXEGJIWIX-UHFFFAOYSA-N 1 0 399.276 2.777 20 0 GFADRO S=C(NCc1ccc(Br)cc1)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000899601168 663694971 /nfs/dbraw/zinc/69/49/71/663694971.db2.gz JNIITIPUFOGILJ-INIZCTEOSA-N 1 0 398.370 2.667 20 0 GFADRO O=C([C@@H](O)c1cccc(Br)c1)N1CCC([NH+]2CCCCC2)CC1 ZINC000900365794 663713388 /nfs/dbraw/zinc/71/33/88/663713388.db2.gz YDSWYNIUGSHEAF-KRWDZBQOSA-N 1 0 381.314 2.959 20 0 GFADRO C[N@@H+]1CCC[C@](O)(CC(=O)Nc2ccc(N3CCSCC3)c(Cl)c2)C1 ZINC000900458934 663714871 /nfs/dbraw/zinc/71/48/71/663714871.db2.gz AXQHVASKWGRQAB-SFHVURJKSA-N 1 0 383.945 2.679 20 0 GFADRO COCC[C@@H]1C[NH2+]CCN1C(=O)Nc1ccc(Br)cc1Cl ZINC000900483361 663715339 /nfs/dbraw/zinc/71/53/39/663715339.db2.gz DUFNGDITEFRUNT-LLVKDONJSA-N 1 0 376.682 2.945 20 0 GFADRO C[C@@](O)(Cn1cc([C@@H]([NH3+])c2ccc(Cl)cc2)nn1)C(F)(F)C(F)(F)F ZINC000900622357 663718274 /nfs/dbraw/zinc/71/82/74/663718274.db2.gz QBPXANMAXHDOIC-NWDGAFQWSA-N 1 0 384.736 2.928 20 0 GFADRO C[C@@H](NC(=O)CCSc1nc2ccccc2s1)[C@@H]1C[N@H+](C)CCN1C ZINC000900800389 663721692 /nfs/dbraw/zinc/72/16/92/663721692.db2.gz CQJVGOGPCMEJDK-HIFRSBDPSA-N 1 0 378.567 2.529 20 0 GFADRO O=C(N[C@@H]1CCc2ncc(Br)n2C1)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000900926114 663725890 /nfs/dbraw/zinc/72/58/90/663725890.db2.gz HGDGQRNMTCIYAO-ZIAGYGMSSA-N 1 0 395.345 2.731 20 0 GFADRO C[N@@H+]1CCC[C@@](O)(CC(=O)N2CCC[C@@H]2c2ccccc2Br)C1 ZINC000901006757 663728770 /nfs/dbraw/zinc/72/87/70/663728770.db2.gz BSMUGOONWDWYKH-SJLPKXTDSA-N 1 0 381.314 2.959 20 0 GFADRO CC(C)Oc1ccc(Br)cc1NC(=O)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000901146435 663731263 /nfs/dbraw/zinc/73/12/63/663731263.db2.gz JJZQSWRMWIYNMT-CQSZACIVSA-N 1 0 383.286 2.896 20 0 GFADRO CCn1c(Br)ncc1C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000901160482 663731382 /nfs/dbraw/zinc/73/13/82/663731382.db2.gz XCIQSNCATVFDPI-OCCSQVGLSA-N 1 0 381.318 2.754 20 0 GFADRO NC(=O)[C@@H]([NH2+]CCc1nc2c(s1)CCC2)c1cccc(Br)c1 ZINC000901577796 663738292 /nfs/dbraw/zinc/73/82/92/663738292.db2.gz BHEBPKTVBIGLMA-HNNXBMFYSA-N 1 0 380.311 2.753 20 0 GFADRO CCc1noc([C@@H]2CC[C@@H]([NH2+][C@H](C(N)=O)c3ccc(Br)cc3)C2)n1 ZINC000901617736 663739733 /nfs/dbraw/zinc/73/97/33/663739733.db2.gz CTFIVRZQRPTYJR-KYOSRNDESA-N 1 0 393.285 2.847 20 0 GFADRO C[C@@H]([NH2+][C@@H]1CCc2ncc(Br)n2C1)C(=O)Nc1ccc(F)c(F)c1 ZINC000901727690 663743745 /nfs/dbraw/zinc/74/37/45/663743745.db2.gz HZFROBIZEJXDNV-MWLCHTKSSA-N 1 0 399.239 2.855 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCc2ncc(Br)n2C1)C(=O)Nc1ccc(Cl)cn1 ZINC000901728952 663744000 /nfs/dbraw/zinc/74/40/00/663744000.db2.gz QDIAEAJEBVBUOY-GXSJLCMTSA-N 1 0 398.692 2.626 20 0 GFADRO Cn1c2ccc(Cl)cc2n(CN2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)c1=S ZINC000902644430 663765033 /nfs/dbraw/zinc/76/50/33/663765033.db2.gz OSJKUPFMCZQZBI-JKSUJKDBSA-N 1 0 380.945 2.851 20 0 GFADRO CCS(=O)(=O)N1CCC(C[NH2+][C@@H](C)c2ccc(C(F)(F)F)cn2)CC1 ZINC000902951274 663769961 /nfs/dbraw/zinc/76/99/61/663769961.db2.gz MHLBLNHPCJGAGS-LBPRGKRZSA-N 1 0 379.448 2.813 20 0 GFADRO COc1ccc(Br)c(C(=O)NCCC[NH2+][C@H]2CCC[C@@H]2OC)c1 ZINC000903091981 663772986 /nfs/dbraw/zinc/77/29/86/663772986.db2.gz FAPMYMCLFLMSIA-HOTGVXAUSA-N 1 0 385.302 2.735 20 0 GFADRO CC(C)N1CC[C@@H]([NH2+][C@@H](C)c2cccc(S(=O)(=O)C(F)(F)F)c2)C1=O ZINC000903121015 663774468 /nfs/dbraw/zinc/77/44/68/663774468.db2.gz RGSNBEVJJUWMGB-SMDDNHRTSA-N 1 0 378.416 2.640 20 0 GFADRO C[C@H]([NH2+]C[C@](C)(O)C(F)(F)F)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000903130682 663775251 /nfs/dbraw/zinc/77/52/51/663775251.db2.gz NRPJFIVLIWEMEY-KWQFWETISA-N 1 0 379.322 2.944 20 0 GFADRO C[C@@H]([NH2+][C@@H](C)c1cccc(S(=O)(=O)C(F)(F)F)c1)C1(S(C)(=O)=O)CC1 ZINC000903169971 663776878 /nfs/dbraw/zinc/77/68/78/663776878.db2.gz DSYDJVQGZOEPTN-WDEREUQCSA-N 1 0 399.456 2.596 20 0 GFADRO Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)[NH2+]C[C@H]1CC[C@@H](C(F)(F)F)O1 ZINC000903179542 663777179 /nfs/dbraw/zinc/77/71/79/663777179.db2.gz QDAKZNWWGPBKNM-ZOWXZIJZSA-N 1 0 380.432 2.711 20 0 GFADRO Clc1cc(I)cc(C[NH2+][C@@H]2CCO[C@]23CCOC3)c1 ZINC000903192901 663777769 /nfs/dbraw/zinc/77/77/69/663777769.db2.gz RIEOUPBFVRVMKR-KGLIPLIRSA-N 1 0 393.652 2.982 20 0 GFADRO C[C@@H]([NH2+]CC[C@]1(O)CCCOC1)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000903197001 663778101 /nfs/dbraw/zinc/77/81/01/663778101.db2.gz UKVUPCRDRKIRDX-IUODEOHRSA-N 1 0 381.416 2.562 20 0 GFADRO Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+]CCS(=O)(=O)N=S(C)(C)=O ZINC000903226729 663779286 /nfs/dbraw/zinc/77/92/86/663779286.db2.gz NPYDOJICHSOXJX-INIZCTEOSA-N 1 0 383.539 2.501 20 0 GFADRO CCNS(=O)(=O)c1cccc(C[NH2+][C@@H](C)c2ccc([S@@](C)=O)cc2)c1 ZINC000903234992 663780155 /nfs/dbraw/zinc/78/01/55/663780155.db2.gz UZGDWBYTKMFEAJ-LFPIHBKWSA-N 1 0 380.535 2.573 20 0 GFADRO CC[C@](O)(CCC(F)(F)F)C[NH2+][C@@H](C)c1cccc(S(=O)(=O)NC)c1 ZINC000903256775 663780653 /nfs/dbraw/zinc/78/06/53/663780653.db2.gz QBFKKLDOPKSXLH-WFASDCNBSA-N 1 0 382.448 2.729 20 0 GFADRO CO[C@]1(C[NH2+][C@H](C)c2cc(S(N)(=O)=O)c(Cl)cc2Cl)CCSC1 ZINC000903314399 663781272 /nfs/dbraw/zinc/78/12/72/663781272.db2.gz NBXPORQPTCSVOJ-OTYXRUKQSA-N 1 0 399.365 2.814 20 0 GFADRO CC(C)O[C@]1(C[NH2+][C@H](C)c2ccc(S(=O)(=O)C(F)F)cc2)CCOC1 ZINC000903361094 663782377 /nfs/dbraw/zinc/78/23/77/663782377.db2.gz PJFLOGSWAWDDKV-DYVFJYSZSA-N 1 0 377.453 2.918 20 0 GFADRO CO[C@@]1(C[NH2+][C@H](C)CCc2ccc(C(F)(F)F)cc2)CCS(=O)(=O)C1 ZINC000903361753 663782538 /nfs/dbraw/zinc/78/25/38/663782538.db2.gz ASQXRDAKCXTFTL-CZUORRHYSA-N 1 0 379.444 2.820 20 0 GFADRO CC[C@@H]([NH2+]C[C@@]1(OC)CCS(=O)(=O)C1)c1cccc(Br)c1 ZINC000903369251 663783210 /nfs/dbraw/zinc/78/32/10/663783210.db2.gz VVNURASDVSZNMP-CABCVRRESA-N 1 0 376.316 2.694 20 0 GFADRO C[C@@H]([NH2+]CC1(O)CCC2(CC1)OCCO2)c1cc(Br)ncc1F ZINC000903371868 663783329 /nfs/dbraw/zinc/78/33/29/663783329.db2.gz GXAHYEICCJLHEP-LLVKDONJSA-N 1 0 389.265 2.682 20 0 GFADRO CC[C@@H]([NH2+]CCCn1ccc(=O)[nH]c1=O)c1cc(F)cc(Br)c1 ZINC000903432981 663784579 /nfs/dbraw/zinc/78/45/79/663784579.db2.gz SYARVVBNMHCIKZ-CQSZACIVSA-N 1 0 384.249 2.982 20 0 GFADRO O=S1(=O)CC[C@H]([NH2+][C@@H]2COC[C@@H]2C2CC2)c2cc(Br)ccc21 ZINC000903438579 663784793 /nfs/dbraw/zinc/78/47/93/663784793.db2.gz VLPAHTAJZXGRHU-QLFBSQMISA-N 1 0 386.311 2.682 20 0 GFADRO COC(=O)C1CC2(C1)C[C@H]([NH2+][C@@H](C)c1cccc(Cl)c1)CCS2(=O)=O ZINC000903452350 663785039 /nfs/dbraw/zinc/78/50/39/663785039.db2.gz MGKMBDCDPHEDGJ-DXEFUBIOSA-N 1 0 385.913 2.890 20 0 GFADRO CC[C@@H](CCC(F)(F)F)[NH2+][C@@H]1CCS(=O)(=O)C2(CC(C(=O)OC)C2)C1 ZINC000903450868 663785042 /nfs/dbraw/zinc/78/50/42/663785042.db2.gz AEHWSEJVOFYDOD-SBEAFCBVSA-N 1 0 385.448 2.596 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCc2ncc(Br)n2C1)c1ccc(-n2cncn2)cc1 ZINC000903477739 663785315 /nfs/dbraw/zinc/78/53/15/663785315.db2.gz GYJSHTGWYCBCKP-GXTWGEPZSA-N 1 0 387.285 2.892 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CCCN(S(=O)(=O)Cc2cccc(Cl)c2Br)C1 ZINC000903513962 663786393 /nfs/dbraw/zinc/78/63/93/663786393.db2.gz XKISRQLLRYCPNP-MNOVXSKESA-N 1 0 395.750 2.992 20 0 GFADRO C[C@H](C(=O)N(C)Cc1c(F)cccc1Cl)N1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903519024 663786818 /nfs/dbraw/zinc/78/68/18/663786818.db2.gz VIYWAJPEXMRZIX-GLXFQSAKSA-N 1 0 381.801 2.647 20 0 GFADRO C[C@H](NS(=O)(=O)Cc1cccc(Cl)c1Br)C1CC[NH2+]CC1 ZINC000903525345 663787332 /nfs/dbraw/zinc/78/73/32/663787332.db2.gz FQNNKLLFNRWHGB-JTQLQIEISA-N 1 0 395.750 2.910 20 0 GFADRO O=S(=O)(Cc1cc(Cl)cc(Cl)c1)N[C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903544624 663788033 /nfs/dbraw/zinc/78/80/33/663788033.db2.gz BXEXCDHJJRQMAF-OAHLLOKOSA-N 1 0 393.336 2.572 20 0 GFADRO O=S(=O)(Cc1ccc(Cl)c(Cl)c1)N[C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903545201 663788100 /nfs/dbraw/zinc/78/81/00/663788100.db2.gz CYGPMJHZEBGAHO-CYBMUJFWSA-N 1 0 393.336 2.572 20 0 GFADRO O=S(=O)(Cc1cc(Cl)cc(Cl)c1)N1CC[NH2+]CCC12CCOCC2 ZINC000903546625 663788180 /nfs/dbraw/zinc/78/81/80/663788180.db2.gz CULGTZBUTQELEZ-UHFFFAOYSA-N 1 0 393.336 2.668 20 0 GFADRO NC(=O)[C@H](c1cccc(Br)c1)N1C[C@@H](C[NH3+])Cc2cc(F)ccc21 ZINC000903567974 663788891 /nfs/dbraw/zinc/78/88/91/663788891.db2.gz HJVDWTKCJDOFIC-DIFFPNOSSA-N 1 0 392.272 2.752 20 0 GFADRO [NH3+][C@@H]1CN(S(=O)(=O)c2c(Cl)cccc2C(F)(F)F)C[C@H]1C(F)(F)F ZINC000903570584 663789072 /nfs/dbraw/zinc/78/90/72/663789072.db2.gz RMBJUZHKLCRWCD-VXNVDRBHSA-N 1 0 396.740 2.869 20 0 GFADRO [NH3+][C@H]1CN(S(=O)(=O)c2ccc3nc(Cl)sc3c2)CC[C@@H]1C(F)(F)F ZINC000903578392 663789925 /nfs/dbraw/zinc/78/99/25/663789925.db2.gz GZPQRWJPTOJIHC-IUCAKERBSA-N 1 0 399.847 2.850 20 0 GFADRO CCC(=O)c1ccc(Cl)c(S(=O)(=O)N2CC[C@H](C(F)(F)F)[C@H]([NH3+])C2)c1 ZINC000903580635 663790211 /nfs/dbraw/zinc/79/02/11/663790211.db2.gz WIQKNJYGTZWSHJ-CMPLNLGQSA-N 1 0 398.834 2.833 20 0 GFADRO [NH3+]C[C@@]12CC[C@H]1CCN2S(=O)(=O)c1cccc(Cl)c1Br ZINC000903590747 663790798 /nfs/dbraw/zinc/79/07/98/663790798.db2.gz ZFKJGNBCELCZDN-ZANVPECISA-N 1 0 379.707 2.604 20 0 GFADRO COC(=O)c1cc(S(=O)(=O)Nc2cc[nH+]c(N3CCCCC3)c2)cs1 ZINC000903666466 663799830 /nfs/dbraw/zinc/79/98/30/663799830.db2.gz NQMNLGXCMLCYKB-UHFFFAOYSA-N 1 0 381.479 2.721 20 0 GFADRO CS(=O)(=O)c1ccc(-c2nc(CN3CC[C@H]4CC[C@@]43C[NH3+])cs2)cc1 ZINC000903856100 663809030 /nfs/dbraw/zinc/80/90/30/663809030.db2.gz PWHYDTUFSAQESZ-RDTXWAMCSA-N 1 0 377.535 2.527 20 0 GFADRO CS(=O)(=O)c1ccc(-c2nc(CN3CCC[C@@]34CC[NH2+]C4)cs2)cc1 ZINC000903868484 663809516 /nfs/dbraw/zinc/80/95/16/663809516.db2.gz ZFRAZGLZAABMFE-SFHVURJKSA-N 1 0 377.535 2.542 20 0 GFADRO Clc1ccc(Br)c(CNCc2cnnn2[C@@H]2CCC[NH2+]C2)c1 ZINC000903931761 663812561 /nfs/dbraw/zinc/81/25/61/663812561.db2.gz HROJBJVFIBUDMZ-CYBMUJFWSA-N 1 0 384.709 2.908 20 0 GFADRO Nc1cc[nH+]c(CNCc2ccc(Br)cc2N2CCOCC2)c1 ZINC000903954752 663813636 /nfs/dbraw/zinc/81/36/36/663813636.db2.gz UVSXKGRLLVCXFU-UHFFFAOYSA-N 1 0 377.286 2.553 20 0 GFADRO O=C(Nc1cc(Br)ccc1-n1cccn1)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000904335564 663830688 /nfs/dbraw/zinc/83/06/88/663830688.db2.gz GCHHFMCNXJBBHY-FRRDWIJNSA-N 1 0 376.258 2.649 20 0 GFADRO CCOc1cc(Br)ccc1NC(=O)N1CC[NH2+]C[C@@H]1CCOC ZINC000904378413 663832086 /nfs/dbraw/zinc/83/20/86/663832086.db2.gz CHEPPZVEUCQMAZ-ZDUSSCGKSA-N 1 0 386.290 2.690 20 0 GFADRO [NH3+]C[C@]12CC[C@H]1CCN2C(=O)Nc1cccc(F)c1I ZINC000904393980 663832532 /nfs/dbraw/zinc/83/25/32/663832532.db2.gz KEKKHVUGHSPHHQ-LKFCYVNXSA-N 1 0 389.212 2.775 20 0 GFADRO [NH3+]C[C@@]12CC[C@@H]1CCN2C(=O)Nc1cnn(-c2ccccc2Br)c1 ZINC000904392923 663832536 /nfs/dbraw/zinc/83/25/36/663832536.db2.gz DJKHISXLWUHTNJ-PXAZEXFGSA-N 1 0 390.285 2.980 20 0 GFADRO [NH3+]CC1(c2ccccc2)CCN(C(=O)Nc2ccncc2Br)CC1 ZINC000904397241 663832838 /nfs/dbraw/zinc/83/28/38/663832838.db2.gz BVMOAGSQUFQRNZ-UHFFFAOYSA-N 1 0 389.297 2.790 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)c(NC(=O)NCC2([NH3+])CC2)c1C ZINC000904396572 663832842 /nfs/dbraw/zinc/83/28/42/663832842.db2.gz RGLFBSVOUATHJU-UHFFFAOYSA-N 1 0 378.274 2.864 20 0 GFADRO Cc1cc2c(cc1Br)CN(Cc1cnnn1[C@H]1CCC[NH2+]C1)CC2 ZINC000904433417 663834234 /nfs/dbraw/zinc/83/42/34/663834234.db2.gz NJXHWCGMEMWHKE-INIZCTEOSA-N 1 0 390.329 2.832 20 0 GFADRO COC(=O)c1c(Br)ccc(NC(=O)N[C@@H]2C[NH2+]CC2(C)C)c1C ZINC000904441958 663834584 /nfs/dbraw/zinc/83/45/84/663834584.db2.gz BGEMPTWVLVFRAM-GFCCVEGCSA-N 1 0 384.274 2.664 20 0 GFADRO COC(=O)c1cccc(NC(=O)N2CC[C@@H]3CC[C@]32C[NH3+])c1Br ZINC000904448574 663834850 /nfs/dbraw/zinc/83/48/50/663834850.db2.gz BOZUAQQFFNPNLM-QFYYESIMSA-N 1 0 382.258 2.581 20 0 GFADRO Cc1nn(C)c(CN[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1Br ZINC000904473439 663835678 /nfs/dbraw/zinc/83/56/78/663835678.db2.gz QVVHDWZBXFERHT-KDOFPFPSSA-N 1 0 391.313 2.837 20 0 GFADRO COCC[C@H]1C[NH2+]CCN1C(=O)Nc1cccc2cc(Br)cnc21 ZINC000904477343 663835713 /nfs/dbraw/zinc/83/57/13/663835713.db2.gz UJZXOLLVMRTUAC-AWEZNQCLSA-N 1 0 393.285 2.840 20 0 GFADRO CN(C(=O)Nc1cccc2cc(Br)cnc21)C1(C[NH3+])CCOCC1 ZINC000904473617 663835743 /nfs/dbraw/zinc/83/57/43/663835743.db2.gz ABNLVDNNNATTLC-UHFFFAOYSA-N 1 0 393.285 2.969 20 0 GFADRO [NH3+]C[C@]12CC[C@H]1CCN2C(=O)Nc1ccn(-c2ccc(Br)cc2)n1 ZINC000904485970 663836280 /nfs/dbraw/zinc/83/62/80/663836280.db2.gz ZWPMIFRAMSJWCD-YVEFUNNKSA-N 1 0 390.285 2.980 20 0 GFADRO C[C@@H]([NH3+])C1(c2nc(Cc3cc(Br)ccc3F)no2)CCOCC1 ZINC000904664786 663839538 /nfs/dbraw/zinc/83/95/38/663839538.db2.gz JUAIWUKNRCEKES-SNVBAGLBSA-N 1 0 384.249 2.957 20 0 GFADRO [NH3+]CCCSCCc1nc(-c2cccc(I)c2)no1 ZINC000904665618 663839830 /nfs/dbraw/zinc/83/98/30/663839830.db2.gz NOPZXUWFQLBVNI-UHFFFAOYSA-N 1 0 389.262 2.966 20 0 GFADRO Clc1nc2cc(Cl)ccn2c1-c1noc([C@]23C[NH2+]C[C@H]2CCOC3)n1 ZINC000904721164 663842087 /nfs/dbraw/zinc/84/20/87/663842087.db2.gz JMZURAYZPDTCJZ-ABKXIKBNSA-N 1 0 380.235 2.569 20 0 GFADRO Cc1sc(C[NH2+]C[C@@H](O)C2(O)CCOCC2)nc1-c1ccc(Cl)cc1 ZINC000905070432 663851557 /nfs/dbraw/zinc/85/15/57/663851557.db2.gz ZXJHYKOPJZGDHA-OAHLLOKOSA-N 1 0 382.913 2.764 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CC[NH2+]C[C@@H](O)CC1(O)CCCC1 ZINC000905082664 663851899 /nfs/dbraw/zinc/85/18/99/663851899.db2.gz SNZMRZCZFQWTPU-HNNXBMFYSA-N 1 0 399.329 2.732 20 0 GFADRO O[C@@H](CCC1(O)CCC1)C[NH2+][C@H]1CCN(c2ccccc2Br)C1 ZINC000905102774 663853363 /nfs/dbraw/zinc/85/33/63/663853363.db2.gz GUXZGOFLKJNYRI-GJZGRUSLSA-N 1 0 383.330 2.674 20 0 GFADRO Cn1ccc(N2CCC[C@H]([NH2+]C[C@@H](O)c3ccc(Cl)c(Cl)c3)C2=O)n1 ZINC000905139948 663854916 /nfs/dbraw/zinc/85/49/16/663854916.db2.gz UQLSXDHEFQFNTK-LSDHHAIUSA-N 1 0 383.279 2.546 20 0 GFADRO CCS(=O)(=O)c1ccc(C[NH2+]C[C@](C)(O)C(F)(F)C(F)(F)F)cc1 ZINC000905204162 663858227 /nfs/dbraw/zinc/85/82/27/663858227.db2.gz YEGHGCDGTWIBSQ-LBPRGKRZSA-N 1 0 375.359 2.518 20 0 GFADRO Cc1ccc(S(=O)(=O)C[C@@H](C)[NH2+]C[C@@](C)(O)C(F)(F)C(F)(F)F)cc1 ZINC000905220103 663859921 /nfs/dbraw/zinc/85/99/21/663859921.db2.gz PENSZVDUFNKIKR-DGCLKSJQSA-N 1 0 389.386 2.695 20 0 GFADRO OCC1(C[C@@H](O)C[NH2+][C@@H]2COc3cc(F)c(Br)cc32)CCCC1 ZINC000905247341 663862498 /nfs/dbraw/zinc/86/24/98/663862498.db2.gz OKSUFMYQVMRSMN-IAQYHMDHSA-N 1 0 388.277 2.915 20 0 GFADRO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+]C[C@H](O)CC2(O)CCCCC2)c1 ZINC000905287212 663863753 /nfs/dbraw/zinc/86/37/53/663863753.db2.gz ZHYUPRABTQPMSG-MRXNPFEDSA-N 1 0 389.945 2.669 20 0 GFADRO CC(C)S(=O)(=O)c1c(Cl)cccc1NC(=O)COC1CC[NH+](C)CC1 ZINC000905296175 663864467 /nfs/dbraw/zinc/86/44/67/663864467.db2.gz ZXZKRFVOEGTVQC-UHFFFAOYSA-N 1 0 388.917 2.571 20 0 GFADRO O=S(=O)(CC1CC[NH2+]CC1)NC(CCC(F)(F)F)CCC(F)(F)F ZINC000905345854 663866682 /nfs/dbraw/zinc/86/66/82/663866682.db2.gz SLCOUQUXMWXEPF-UHFFFAOYSA-N 1 0 384.386 2.959 20 0 GFADRO O[C@H](C[NH2+]C[C@@H](O)c1ccc(F)c(Br)c1)C(F)(F)C(F)(F)F ZINC000905446483 663871729 /nfs/dbraw/zinc/87/17/29/663871729.db2.gz HPKPLCPWYIRHBE-NXEZZACHSA-N 1 0 396.125 2.770 20 0 GFADRO CCOC(=O)C1CCC(O)(C[C@@H](O)C[NH2+]Cc2cscc2Cl)CC1 ZINC000905457705 663872284 /nfs/dbraw/zinc/87/22/84/663872284.db2.gz GCYADQFAOFDXGU-KDJCLPLCSA-N 1 0 375.918 2.727 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S(=O)(=O)CC[NH2+]C1CCC=CCC1 ZINC000905493713 663874172 /nfs/dbraw/zinc/87/41/72/663874172.db2.gz WYPUOKWOMKKRIU-UHFFFAOYSA-N 1 0 385.551 2.732 20 0 GFADRO Cn1cc(CN(C(=S)NCC[NH+](C)C)c2ccc(Br)cc2)cn1 ZINC000905537664 663877168 /nfs/dbraw/zinc/87/71/68/663877168.db2.gz SIFNDLOTCCLCAD-UHFFFAOYSA-N 1 0 396.358 2.625 20 0 GFADRO O[C@H](C[NH2+]C[C@@H]1CCC2(CCOCC2)O1)c1ccc(F)c(Br)c1 ZINC000905598155 663880465 /nfs/dbraw/zinc/88/04/65/663880465.db2.gz UORPOXLFOJXSSJ-XJKSGUPXSA-N 1 0 388.277 2.939 20 0 GFADRO O[C@@H](C[NH2+]Cc1nc2c(s1)COCC2)c1ccc(F)c(Br)c1 ZINC000905621524 663881980 /nfs/dbraw/zinc/88/19/80/663881980.db2.gz SRFHBMPHBLUGDN-ZDUSSCGKSA-N 1 0 387.274 2.941 20 0 GFADRO CCc1onc(C)c1C[NH2+]C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000905631713 663882694 /nfs/dbraw/zinc/88/26/94/663882694.db2.gz QBWULSRWCYLDLV-ZDUSSCGKSA-N 1 0 387.249 2.977 20 0 GFADRO COC(=O)[C@H]1C[C@@H]2C[C@H]([NH2+]C[C@@H](O)COc3ccc(Cl)c(Cl)c3)[C@@H]2C1 ZINC000905655760 663884210 /nfs/dbraw/zinc/88/42/10/663884210.db2.gz ZSNMRXRBFGYNGS-FVMAARLESA-N 1 0 388.291 2.910 20 0 GFADRO Cn1cc([C@]2(C[NH2+]C[C@@H](O)c3ccc(F)c(Br)c3)CCCO2)cn1 ZINC000905685089 663886374 /nfs/dbraw/zinc/88/63/74/663886374.db2.gz CMBLXXHNSFGNLD-IAGOWNOFSA-N 1 0 398.276 2.651 20 0 GFADRO CC(C)[NH2+]Cc1cn(Cc2noc(Cc3ccc(Br)cc3)n2)nn1 ZINC000905800330 663892966 /nfs/dbraw/zinc/89/29/66/663892966.db2.gz LHZYOFQUFIJCLA-UHFFFAOYSA-N 1 0 391.273 2.561 20 0 GFADRO C[N@H+](CCNC(=O)c1nscc1I)C1CCCCC1 ZINC000906423332 663946879 /nfs/dbraw/zinc/94/68/79/663946879.db2.gz BFSVDNRCXDGHCP-UHFFFAOYSA-N 1 0 393.294 2.742 20 0 GFADRO C[C@@H](CNC(=O)c1nscc1I)[NH+]1CCC(C)CC1 ZINC000906429976 663947166 /nfs/dbraw/zinc/94/71/66/663947166.db2.gz QOOBKTJBMJCOTF-JTQLQIEISA-N 1 0 393.294 2.598 20 0 GFADRO C[NH+](C)C1CCN(C(=O)c2ccc(Cn3cc(Br)cn3)s2)CC1 ZINC000906624481 663961455 /nfs/dbraw/zinc/96/14/55/663961455.db2.gz MRFLUHMHCAALMK-UHFFFAOYSA-N 1 0 397.342 2.922 20 0 GFADRO CN(C(=O)C[C@H](O)C(Cl)(Cl)Cl)c1ccc(OCC[NH+](C)C)cc1 ZINC000906647184 663962621 /nfs/dbraw/zinc/96/26/21/663962621.db2.gz OZSANXJDLSOQIZ-ZDUSSCGKSA-N 1 0 383.703 2.711 20 0 GFADRO CC(C)(C[NH3+])C1CCN(C(=O)C(=O)Nc2cccc(Br)c2)CC1 ZINC000906691646 663965337 /nfs/dbraw/zinc/96/53/37/663965337.db2.gz SGTHORYFFFJPNZ-UHFFFAOYSA-N 1 0 382.302 2.611 20 0 GFADRO [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(=O)Nc1cc(Cl)ccc1C(F)(F)F)C2 ZINC000906751755 663968422 /nfs/dbraw/zinc/96/84/22/663968422.db2.gz CZNPHKVLCQZEOI-LSJOCFKGSA-N 1 0 375.778 2.636 20 0 GFADRO Cc1cc(Br)c(CC(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)s1 ZINC000906809296 663972976 /nfs/dbraw/zinc/97/29/76/663972976.db2.gz DHTBLGMTPIKSTH-ZDUSSCGKSA-N 1 0 387.343 2.542 20 0 GFADRO CCc1cc(C(=O)N2CCC([N@H+](C)CCCO)CC2)ccc1Br ZINC000907144357 664006406 /nfs/dbraw/zinc/00/64/06/664006406.db2.gz LQFBJJPRSPZMHT-UHFFFAOYSA-N 1 0 383.330 2.930 20 0 GFADRO CS[C@@H]1CN(C(=O)c2c[nH]c(=NC(=O)OC(C)(C)C)s2)C[C@@H]1[NH+](C)C ZINC000907147230 664006593 /nfs/dbraw/zinc/00/65/93/664006593.db2.gz SKSFBSDKHSQMIV-CMPLNLGQSA-N 1 0 386.543 2.608 20 0 GFADRO CCN(CC1CC1)S(=O)(=O)N(C)C[C@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000907344917 664025806 /nfs/dbraw/zinc/02/58/06/664025806.db2.gz IPYCSQXEKADVQW-QGZVFWFLSA-N 1 0 385.599 2.787 20 0 GFADRO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)S(=O)(=O)c3cccc(N)c3)C2)s1 ZINC000907346490 664026426 /nfs/dbraw/zinc/02/64/26/664026426.db2.gz NRJGUIVLSFUBOR-HNNXBMFYSA-N 1 0 379.551 2.781 20 0 GFADRO C[NH+](C)CCn1nccc1C(=O)NCc1cc2cc(Br)ccc2[nH]1 ZINC000907425009 664033514 /nfs/dbraw/zinc/03/35/14/664033514.db2.gz JHWPYZMBUZGEAK-UHFFFAOYSA-N 1 0 390.285 2.619 20 0 GFADRO COc1ccc(S(=O)(=O)N2CCC23CC[NH+](C)CC3)c(Cl)c1Cl ZINC000907852792 664065686 /nfs/dbraw/zinc/06/56/86/664065686.db2.gz DNYRMMLYIVMQBH-UHFFFAOYSA-N 1 0 379.309 2.861 20 0 GFADRO C[NH+]1CCC2(CCN2S(=O)(=O)c2c(F)cccc2OC(F)(F)F)CC1 ZINC000907857459 664066431 /nfs/dbraw/zinc/06/64/31/664066431.db2.gz MGCYHVJWIFHBAS-UHFFFAOYSA-N 1 0 382.379 2.583 20 0 GFADRO C[C@@H](NC(=O)C[C@]1(O)CCC[N@H+](C)C1)c1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC000908875878 664133224 /nfs/dbraw/zinc/13/32/24/664133224.db2.gz KUHHEZZAIXNMOF-BMLIUANNSA-N 1 0 385.295 2.894 20 0 GFADRO Cc1ccc(C(=O)N2CCC(C[N@@H+](CCO)C(C)C)CC2)c(Br)n1 ZINC000910863288 664230175 /nfs/dbraw/zinc/23/01/75/664230175.db2.gz BTQZJTVYESCASW-UHFFFAOYSA-N 1 0 398.345 2.707 20 0 GFADRO C[C@H](CNC(=O)C(=O)N1CC[C@H](C[NH3+])[C@H](C)C1)c1c(Cl)cccc1Cl ZINC000911187184 664238063 /nfs/dbraw/zinc/23/80/63/664238063.db2.gz NEZGULTZEBNWSI-JHJVBQTASA-N 1 0 386.323 2.656 20 0 GFADRO C[N@@H+]1CC[C@@H](C(=O)N2CCc3[nH]cnc3[C@@H]2c2ccc(Br)cc2)C1 ZINC000911253686 664240813 /nfs/dbraw/zinc/24/08/13/664240813.db2.gz HVZMIPMTDPNSIB-DYVFJYSZSA-N 1 0 389.297 2.598 20 0 GFADRO O=C(NC[C@@H]1CCC[NH2+]C1)c1c(Cl)ccc(I)c1F ZINC000911703684 664253680 /nfs/dbraw/zinc/25/36/80/664253680.db2.gz JQLWXTFMEXUHDA-MRVPVSSYSA-N 1 0 396.631 2.813 20 0 GFADRO [NH3+]C[C@@H]1CCCN(C(=O)c2c(Cl)ccc(I)c2F)C1 ZINC000911706069 664253744 /nfs/dbraw/zinc/25/37/44/664253744.db2.gz CJHKAHTTWDRXNX-QMMMGPOBSA-N 1 0 396.631 2.895 20 0 GFADRO O=C(NC[C@@H]1CCCC[NH2+]1)c1cnn(Cc2ccccc2)c1Br ZINC000911714346 664254002 /nfs/dbraw/zinc/25/40/02/664254002.db2.gz PFAHUDLGRXNQDL-AWEZNQCLSA-N 1 0 377.286 2.566 20 0 GFADRO C[NH2+]CC1CCN(C(=O)[C@@H](C)c2ccc(I)cc2)CC1 ZINC000911779514 664256651 /nfs/dbraw/zinc/25/66/51/664256651.db2.gz WFIFYGMHGLFJQF-LBPRGKRZSA-N 1 0 386.277 2.853 20 0 GFADRO Cc1cc(C(=O)N2CC[C@H]([NH3+])[C@H](C)C2)nn1-c1ccccc1Br ZINC000911820132 664257187 /nfs/dbraw/zinc/25/71/87/664257187.db2.gz FTBXIPYEXLNVSJ-RISCZKNCSA-N 1 0 377.286 2.753 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)c2cc(Br)cnc2Br)C1 ZINC000911824390 664257515 /nfs/dbraw/zinc/25/75/15/664257515.db2.gz NSOFNHTUXFIUKN-DTWKUNHWSA-N 1 0 391.107 2.806 20 0 GFADRO C[NH2+]C[C@@H]1CCCN1C(=O)c1cnn(Cc2ccccc2)c1Br ZINC000911866693 664259685 /nfs/dbraw/zinc/25/96/85/664259685.db2.gz BKKXHBPJUGOAMK-AWEZNQCLSA-N 1 0 377.286 2.518 20 0 GFADRO C[NH+]1CCC(N(CCO)C(=O)[C@@H]2C[C@@]2(C)c2cccc(Br)c2)CC1 ZINC000911933755 664262450 /nfs/dbraw/zinc/26/24/50/664262450.db2.gz PMAPBWKOXZBEIH-HKUYNNGSSA-N 1 0 395.341 2.642 20 0 GFADRO C[NH+]1CCC(N(CCO)C(=O)CCCOc2cccc(Br)c2)CC1 ZINC000911938463 664262827 /nfs/dbraw/zinc/26/28/27/664262827.db2.gz ZCPNRLFFPHUXHS-UHFFFAOYSA-N 1 0 399.329 2.523 20 0 GFADRO Cc1cc(NC(=O)C[C@H](O)C[NH3+])n(-c2cc(C(F)(F)F)ccc2Cl)n1 ZINC000911991058 664265031 /nfs/dbraw/zinc/26/50/31/664265031.db2.gz BPWNIGIHRUZWQE-JTQLQIEISA-N 1 0 376.766 2.501 20 0 GFADRO CCCc1ccccc1NC(=O)c1cc(Br)cn(CC[NH3+])c1=O ZINC000912237829 664276958 /nfs/dbraw/zinc/27/69/58/664276958.db2.gz QSTZTDITAGFWNZ-UHFFFAOYSA-N 1 0 378.270 2.774 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)c2cc(Br)cn(C3CC3)c2=O)C1 ZINC000912282366 664279524 /nfs/dbraw/zinc/27/95/24/664279524.db2.gz CUUTWKCHVDIIOQ-LBPRGKRZSA-N 1 0 396.329 2.796 20 0 GFADRO [NH3+]Cc1nc(CC(=O)Nc2ccc(Cl)cc2C(=O)NCC2CC2)cs1 ZINC000912300549 664281404 /nfs/dbraw/zinc/28/14/04/664281404.db2.gz JIRAGWDKQPMHGO-UHFFFAOYSA-N 1 0 378.885 2.576 20 0 GFADRO C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N[C@]1(C)C[NH+]2CCC1CC2 ZINC000912376925 664284128 /nfs/dbraw/zinc/28/41/28/664284128.db2.gz AZEHKUZELRMLIA-ADLMAVQZSA-N 1 0 384.307 2.712 20 0 GFADRO C[C@@]1(NC(=O)C[C@@H]2Sc3ccc(Cl)cc3NC2=O)C[NH+]2CCC1CC2 ZINC000912379791 664284342 /nfs/dbraw/zinc/28/43/42/664284342.db2.gz PJFDRAOGJUMZGZ-MAUKXSAKSA-N 1 0 379.913 2.743 20 0 GFADRO C[NH+](C)CCn1nccc1C(=O)N1CC(Oc2cccc(Cl)c2Cl)C1 ZINC000912401548 664285332 /nfs/dbraw/zinc/28/53/32/664285332.db2.gz FNXNEPCXNPJNOV-UHFFFAOYSA-N 1 0 383.279 2.655 20 0 GFADRO C[N@@H+]1CCC[C@](O)(CC(=O)Nc2ccc(Br)c3ncccc23)C1 ZINC000912514452 664291496 /nfs/dbraw/zinc/29/14/96/664291496.db2.gz XOCPLOMDJKXMEM-KRWDZBQOSA-N 1 0 378.270 2.783 20 0 GFADRO CC(C)C[NH2+]C1(CO)CCN(C(=O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000912591490 664294143 /nfs/dbraw/zinc/29/41/43/664294143.db2.gz ITYXAFQYDFBORZ-UHFFFAOYSA-N 1 0 389.323 2.971 20 0 GFADRO Cn1ccnc1[C@H](NC(=O)C1(C[NH+](C)C)CC1)c1ccc(Br)cc1 ZINC000912678444 664296770 /nfs/dbraw/zinc/29/67/70/664296770.db2.gz IGKDVBHAAYOSKH-OAHLLOKOSA-N 1 0 391.313 2.730 20 0 GFADRO O=C(Cc1ccc(I)cc1)N1CCC([NH+]2CCC2)CC1 ZINC000912875059 664307078 /nfs/dbraw/zinc/30/70/78/664307078.db2.gz OOHLXVJVPCGMOQ-UHFFFAOYSA-N 1 0 384.261 2.530 20 0 GFADRO O=C(c1cc(I)ccc1F)N1CCC([NH+]2CCC2)CC1 ZINC000912876574 664307110 /nfs/dbraw/zinc/30/71/10/664307110.db2.gz KEXAIOLTQKSMEI-UHFFFAOYSA-N 1 0 388.224 2.741 20 0 GFADRO Cc1nc(C(=O)N2CC[C@@H]([NH+]3CCC3)C2)nn1-c1c(Cl)cccc1Cl ZINC000912917584 664310196 /nfs/dbraw/zinc/31/01/96/664310196.db2.gz JLMLIIZJASJHJJ-GFCCVEGCSA-N 1 0 380.279 2.803 20 0 GFADRO Cc1c(C(=O)N2CC[C@@H]([NH+]3CCC3)C2)cnn1-c1ccc(Br)cc1 ZINC000912922536 664310534 /nfs/dbraw/zinc/31/05/34/664310534.db2.gz SZNBIQJDMYNRSG-MRXNPFEDSA-N 1 0 389.297 2.863 20 0 GFADRO COc1nsc(CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)c1Br ZINC000912944807 664311414 /nfs/dbraw/zinc/31/14/14/664311414.db2.gz IVVVWFAQIPBCSQ-NSHDSACASA-N 1 0 388.331 2.937 20 0 GFADRO CCC[N@@H+]1CCC[C@H](C(=O)NCc2snc(OC)c2Br)C1 ZINC000912948571 664313952 /nfs/dbraw/zinc/31/39/52/664313952.db2.gz OXQVVTRQGNFWQH-JTQLQIEISA-N 1 0 376.320 2.652 20 0 GFADRO C[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1cn(C)nc1Br ZINC000913103156 664324122 /nfs/dbraw/zinc/32/41/22/664324122.db2.gz KPAVOZJQMSKYGE-BBRMVZONSA-N 1 0 391.313 2.823 20 0 GFADRO C[NH+](C)C1(C)CCN(C(=O)c2cc(I)ccc2F)CC1 ZINC000913395422 664334907 /nfs/dbraw/zinc/33/49/07/664334907.db2.gz YHVUTFDMWGDVAC-UHFFFAOYSA-N 1 0 390.240 2.987 20 0 GFADRO CC(C)[NH+]1CCN(CCC(=O)NCC(=O)c2cccc(Cl)c2Cl)CC1 ZINC000913165114 664327413 /nfs/dbraw/zinc/32/74/13/664327413.db2.gz FFAQJIUCRYKYCH-UHFFFAOYSA-N 1 0 386.323 2.708 20 0 GFADRO Cn1nc2cc(Br)ccc2c1C(=O)N1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000913276177 664331075 /nfs/dbraw/zinc/33/10/75/664331075.db2.gz YEMPTXMOSUKRIS-ROUUACIJSA-N 1 0 391.313 2.750 20 0 GFADRO C[NH+](C)C1(C)CCN(C(=O)c2ccc(I)cc2F)CC1 ZINC000913390278 664334644 /nfs/dbraw/zinc/33/46/44/664334644.db2.gz PDAHJYNMKUEWAM-UHFFFAOYSA-N 1 0 390.240 2.987 20 0 GFADRO CC[C@@H](Cc1ccccc1Br)C(=O)N1CCC(O)(C[NH+](C)C)CC1 ZINC000913679319 664349326 /nfs/dbraw/zinc/34/93/26/664349326.db2.gz WTWAWHNLYJAPLQ-HNNXBMFYSA-N 1 0 397.357 2.933 20 0 GFADRO C[C@@H](Oc1ccc(Cl)c(Cl)c1)C(=O)N1CCC(O)(C[NH+](C)C)CC1 ZINC000913681405 664349602 /nfs/dbraw/zinc/34/96/02/664349602.db2.gz GVHHHTFCPHSBQH-GFCCVEGCSA-N 1 0 375.296 2.676 20 0 GFADRO C[NH+](C)CC1(O)CCN(C(=O)c2cnc(-c3ccccc3Cl)s2)CC1 ZINC000913680821 664349638 /nfs/dbraw/zinc/34/96/38/664349638.db2.gz FAMJFAWJLKIRDD-UHFFFAOYSA-N 1 0 379.913 2.992 20 0 GFADRO COc1cc(Br)ccc1NC(=O)CCN1CC[NH+](C(C)C)CC1 ZINC000913720065 664353060 /nfs/dbraw/zinc/35/30/60/664353060.db2.gz LAFUINFMNNOJJZ-UHFFFAOYSA-N 1 0 384.318 2.812 20 0 GFADRO CC[NH+](CC)CCNC(=O)N1CCCC[C@@H]1c1ncc(Br)cn1 ZINC000913831628 664360309 /nfs/dbraw/zinc/36/03/09/664360309.db2.gz TZOJGDIXZDKWEI-CQSZACIVSA-N 1 0 384.322 2.818 20 0 GFADRO O=S(=O)(c1occc1Br)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000914136682 664379016 /nfs/dbraw/zinc/37/90/16/664379016.db2.gz ZKFQMFOPFWWDFH-LBPRGKRZSA-N 1 0 377.304 2.681 20 0 GFADRO C[C@H]1C[C@@H](N(C)S(=O)(=O)Cc2ccc(F)cc2Br)CC[N@@H+]1C ZINC000914179904 664383543 /nfs/dbraw/zinc/38/35/43/664383543.db2.gz XUUQSAHDBHTONK-FZMZJTMJSA-N 1 0 393.322 2.833 20 0 GFADRO C[N@@H+]1CCC[C@H]2CN(S(=O)(=O)Cc3ccsc3Br)CC[C@@H]21 ZINC000914259132 664391625 /nfs/dbraw/zinc/39/16/25/664391625.db2.gz LUONJRSTEGKJAZ-AAEUAGOBSA-N 1 0 393.372 2.757 20 0 GFADRO C[N@@H+]1CCC[C@H]2CN(S(=O)(=O)c3cnc(-c4ccccc4)s3)CC[C@@H]21 ZINC000914259394 664391673 /nfs/dbraw/zinc/39/16/73/664391673.db2.gz RKGLFCMYQVGWTR-HOTGVXAUSA-N 1 0 377.535 2.915 20 0 GFADRO CC[N@@H+]1CCC[C@@H](NC(=O)N2CCCC[C@H]2c2ncc(Br)cn2)C1 ZINC000914315905 664398446 /nfs/dbraw/zinc/39/84/46/664398446.db2.gz CUEKTRBCWDFZKQ-CABCVRRESA-N 1 0 396.333 2.960 20 0 GFADRO O=C(NCCc1nc2ccccc2s1)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000914389802 664405346 /nfs/dbraw/zinc/40/53/46/664405346.db2.gz ICUZNIPRZKJZAC-HIFRSBDPSA-N 1 0 376.551 2.718 20 0 GFADRO C[NH+](C)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(F)cc2Br)CC1 ZINC000914985073 664418673 /nfs/dbraw/zinc/41/86/73/664418673.db2.gz ZZUNBPWUBHQSSF-CQSZACIVSA-N 1 0 393.322 2.834 20 0 GFADRO CCCC1N=NC(=S)N1CC(=O)NC[C@H](c1ccsc1)[NH+](CC)CC ZINC000915089338 664420803 /nfs/dbraw/zinc/42/08/03/664420803.db2.gz NNRHUASZNBYDQF-CQSZACIVSA-N 1 0 381.571 2.780 20 0 GFADRO CO[C@]1(CNC(=O)NCC2CC[NH+](Cc3cccs3)CC2)CCSC1 ZINC000915425177 664430580 /nfs/dbraw/zinc/43/05/80/664430580.db2.gz FBCQQRPMGSNNIA-SFHVURJKSA-N 1 0 383.583 2.781 20 0 GFADRO C[N@@H+]1CC[C@H]1CNC(=O)NCC1(c2ccc(Br)cc2)CCOCC1 ZINC000916066381 664448542 /nfs/dbraw/zinc/44/85/42/664448542.db2.gz DSMQESXIEPYRDR-INIZCTEOSA-N 1 0 396.329 2.501 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(S(=O)(=O)c3cc4ccc(Cl)nc4cc3F)C[C@@H]2C1 ZINC000916663385 664468620 /nfs/dbraw/zinc/46/86/20/664468620.db2.gz CVRHFCUIKBUPQO-OLZOCXBDSA-N 1 0 383.876 2.600 20 0 GFADRO CS(=O)(=O)c1ccc([C@H](O)C[NH2+][C@H]2CCOc3c(Cl)cccc32)cc1 ZINC000920094271 664522135 /nfs/dbraw/zinc/52/21/35/664522135.db2.gz CBFWFTPWHCBXSK-DLBZAZTESA-N 1 0 381.881 2.890 20 0 GFADRO CCC[N@H+](CC)CCNC(=O)NC1(c2ncc(Br)cn2)CCC1 ZINC000921186066 664538758 /nfs/dbraw/zinc/53/87/58/664538758.db2.gz PRZNMNXCSZCJKO-UHFFFAOYSA-N 1 0 384.322 2.649 20 0 GFADRO O=C(NC1CCN(c2cccs2)CC1)N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000921409045 664547515 /nfs/dbraw/zinc/54/75/15/664547515.db2.gz OJTJRHACASEVAG-JKSUJKDBSA-N 1 0 380.583 2.596 20 0 GFADRO CCn1c(C[NH2+][C@@H]2CCC[C@@H](O)C2)nc(Br)c1Br ZINC000921587154 664556089 /nfs/dbraw/zinc/55/60/89/664556089.db2.gz QKJWQFUKVRKABM-RKDXNWHRSA-N 1 0 381.112 2.821 20 0 GFADRO Cc1nc(CNCc2cccnc2N2CC[NH+](C)CC2)sc1Br ZINC000921602913 664557102 /nfs/dbraw/zinc/55/71/02/664557102.db2.gz AWULHXQHVQVIEE-UHFFFAOYSA-N 1 0 396.358 2.651 20 0 GFADRO CCn1c(CNCC[N@H+](C)C(C)C)nc(Br)c1Br ZINC000921653216 664559321 /nfs/dbraw/zinc/55/93/21/664559321.db2.gz WQFCENPFXKJYDR-UHFFFAOYSA-N 1 0 382.144 2.858 20 0 GFADRO COC(=O)c1scc(C)c1S(=O)(=O)NC1CCC(C)([NH+]2CCC2)CC1 ZINC000921720845 664564376 /nfs/dbraw/zinc/56/43/76/664564376.db2.gz ACYVCQJMNLXMOK-UHFFFAOYSA-N 1 0 386.539 2.528 20 0 GFADRO CCn1c(Br)c(Br)nc1CN[C@@H]1C[N@H+](CC)C[C@@H]1C ZINC000921833317 664571399 /nfs/dbraw/zinc/57/13/99/664571399.db2.gz VUKKAEZDJPDXGN-VHSXEESVSA-N 1 0 394.155 2.858 20 0 GFADRO Cn1nc2c(c1C[NH2+]C[C@H](CO)Cc1ccc(Br)cc1)CCC2 ZINC000922058238 664583381 /nfs/dbraw/zinc/58/33/81/664583381.db2.gz JYHGMYAKIKTWRZ-CQSZACIVSA-N 1 0 378.314 2.612 20 0 GFADRO CCn1c(C[NH2+]C[C@@H](C)CCCO)nc(Br)c1Br ZINC000922153222 664588050 /nfs/dbraw/zinc/58/80/50/664588050.db2.gz LXOGXJQYUAIFAR-VIFPVBQESA-N 1 0 383.128 2.926 20 0 GFADRO Cc1c(Br)cccc1C[C@@H](CO)C[NH2+]Cc1cnn(CCF)c1 ZINC000922168858 664588666 /nfs/dbraw/zinc/58/86/66/664588666.db2.gz NUNPKRGCFJQVOC-CQSZACIVSA-N 1 0 384.293 2.864 20 0 GFADRO CCS(=O)(=O)CCC[NH2+]Cc1cc2c(cc(F)cc2Br)[nH]1 ZINC000922185055 664589437 /nfs/dbraw/zinc/58/94/37/664589437.db2.gz URRCAGAZBSSSSU-UHFFFAOYSA-N 1 0 377.279 2.984 20 0 GFADRO Fc1cc2[nH]c(C[NH2+][C@H]3CCc4nnnn4CC3)cc2c(Br)c1 ZINC000922196856 664589788 /nfs/dbraw/zinc/58/97/88/664589788.db2.gz ZQDSVJVMVPQWGM-JTQLQIEISA-N 1 0 379.237 2.551 20 0 GFADRO Cn1nccc1[C@@H]1[C@@H]([NH2+]Cc2cc(Br)ccc2F)CCC(=O)N1C ZINC000922407604 664600344 /nfs/dbraw/zinc/60/03/44/664600344.db2.gz WZJPXWNLKTZEMW-YOEHRIQHSA-N 1 0 395.276 2.773 20 0 GFADRO CCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCC[C@@H]1c1ncc(Br)cn1 ZINC000922467216 664603045 /nfs/dbraw/zinc/60/30/45/664603045.db2.gz XDZTYTVVKBNKNR-LSDHHAIUSA-N 1 0 396.333 2.960 20 0 GFADRO COc1sc(C[NH2+]CC2(C3(O)CCOCC3)CC2)cc1Br ZINC000922596589 664607827 /nfs/dbraw/zinc/60/78/27/664607827.db2.gz NCTDLKIGBLHVDT-UHFFFAOYSA-N 1 0 376.316 2.931 20 0 GFADRO Brc1ccc(-c2n[nH]cc2C[NH2+]C[C@H]2C[C@@H]3COC[C@@H]3O2)s1 ZINC000922727128 664612179 /nfs/dbraw/zinc/61/21/79/664612179.db2.gz ZGNYEJWMGQRSKS-JLLWLGSASA-N 1 0 384.299 2.794 20 0 GFADRO Brc1ccccc1CN1CCC([NH2+]C[C@@H]2C[C@@H]3COC[C@@H]3O2)CC1 ZINC000922727469 664612229 /nfs/dbraw/zinc/61/22/29/664612229.db2.gz YBYPICWQTDXNMG-AYBZRNKSSA-N 1 0 395.341 2.807 20 0 GFADRO Cc1nn(-c2cccc(Br)c2)cc1C[NH2+]CC[C@H]1CNC(=O)C1 ZINC000922779092 664614271 /nfs/dbraw/zinc/61/42/71/664614271.db2.gz PFALPIRPDBPNKS-CYBMUJFWSA-N 1 0 377.286 2.559 20 0 GFADRO CCCOc1c(Br)cc(C[NH2+]CC[C@H]2CNC(=O)C2)cc1OC ZINC000922784950 664614460 /nfs/dbraw/zinc/61/44/60/664614460.db2.gz LBDWFOIHJPYFFF-GFCCVEGCSA-N 1 0 385.302 2.862 20 0 GFADRO CN1C(=O)CCc2cc(C[NH2+]CC3(n4cc(Br)cn4)CC3)ccc21 ZINC000922801606 664614895 /nfs/dbraw/zinc/61/48/95/664614895.db2.gz CHKJHDFHMKUHPI-UHFFFAOYSA-N 1 0 389.297 2.834 20 0 GFADRO COc1cc(C[NH2+]CC2(n3cc(Br)cn3)CC2)cc(OC)c1OC ZINC000922803930 664615152 /nfs/dbraw/zinc/61/51/52/664615152.db2.gz KRMJEMJQYVHOQX-UHFFFAOYSA-N 1 0 396.285 2.950 20 0 GFADRO CCC[C@@H](O)CC[NH2+]Cc1cc(Br)ccc1O[C@@H](C)C(=O)NC ZINC000922820294 664615509 /nfs/dbraw/zinc/61/55/09/664615509.db2.gz HLRKWPJEYKHFPQ-SWLSCSKDSA-N 1 0 387.318 2.603 20 0 GFADRO Cn1cc(C[NH2+][C@H]2CCSC3(CCC3)C2)c(I)n1 ZINC000922842668 664616255 /nfs/dbraw/zinc/61/62/55/664616255.db2.gz KIRSOXBEIGUURL-NSHDSACASA-N 1 0 377.295 2.933 20 0 GFADRO NS(=O)(=O)c1cc(C(=O)Nc2ccc(C[NH+]3CCCCC3)cc2)cs1 ZINC000922842415 664616287 /nfs/dbraw/zinc/61/62/87/664616287.db2.gz JHILXPLTWYBITD-UHFFFAOYSA-N 1 0 379.507 2.634 20 0 GFADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+][C@H]1CCS[C@H](C)C1 ZINC000922844731 664616312 /nfs/dbraw/zinc/61/63/12/664616312.db2.gz YRZADHZVJXQHLJ-KGYLQXTDSA-N 1 0 377.963 2.578 20 0 GFADRO COc1cc(C[NH2+]CCO[C@@H]2CCOC2)cc(Br)c1OC(F)F ZINC000922938408 664619418 /nfs/dbraw/zinc/61/94/18/664619418.db2.gz CXBLSRPXBYSBQL-LLVKDONJSA-N 1 0 396.228 2.954 20 0 GFADRO Cn1cc(C[NH2+]C[C@H]2CC(C)(C)OC2(C)C)c(I)n1 ZINC000922949267 664619673 /nfs/dbraw/zinc/61/96/73/664619673.db2.gz VZYPYSRJTPMCCS-LLVKDONJSA-N 1 0 377.270 2.708 20 0 GFADRO C[NH+](C)C1(CNC(=O)N2CCCC[C@H]2c2ncc(Br)cn2)CC1 ZINC000922980655 664620460 /nfs/dbraw/zinc/62/04/60/664620460.db2.gz FIIGMJMGVPXAAG-ZDUSSCGKSA-N 1 0 382.306 2.570 20 0 GFADRO O[C@H]1C[C@H]([NH2+]Cc2nc(-c3ccc(Br)cc3)c[nH]2)C12CCOCC2 ZINC000923017500 664621209 /nfs/dbraw/zinc/62/12/09/664621209.db2.gz BJRQEHNXCNFBFB-HOTGVXAUSA-N 1 0 392.297 2.859 20 0 GFADRO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)c1cc(=O)c2cc(Br)ccc2o1 ZINC000923261780 664626950 /nfs/dbraw/zinc/62/69/50/664626950.db2.gz DMIJCIKZOQMTIM-QWHCGFSZSA-N 1 0 391.265 2.864 20 0 GFADRO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)c1cn(-c2ccc(Br)cc2)cn1 ZINC000923273611 664627145 /nfs/dbraw/zinc/62/71/45/664627145.db2.gz KWMOQPQVQZBDGV-JKSUJKDBSA-N 1 0 389.297 2.944 20 0 GFADRO C[NH2+]C[C@@H]1CCCN(C[C@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000923283911 664627429 /nfs/dbraw/zinc/62/74/29/664627429.db2.gz ZFMUZAUWQGHCRU-JSGCOSHPSA-N 1 0 391.737 2.774 20 0 GFADRO CCC[N@@H+]1CC[C@H](NC(=O)N2CCCC[C@@H]2c2ncc(Br)cn2)C1 ZINC000923319963 664628229 /nfs/dbraw/zinc/62/82/29/664628229.db2.gz RDKMZPNHBUXSMB-LSDHHAIUSA-N 1 0 396.333 2.960 20 0 GFADRO Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NS(=O)(=O)[C@@H]1CCC[NH2+]C1 ZINC000923607216 664634460 /nfs/dbraw/zinc/63/44/60/664634460.db2.gz YLXQNLWSOBNZBN-SWLSCSKDSA-N 1 0 383.514 2.990 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(S(=O)(=O)c3cscc3C(F)F)C2)C1 ZINC000923652767 664635157 /nfs/dbraw/zinc/63/51/57/664635157.db2.gz NTJYZJHGMJARMN-LOWVWBTDSA-N 1 0 380.482 2.593 20 0 GFADRO Cc1c(Br)cccc1CS(=O)(=O)N1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923698555 664636308 /nfs/dbraw/zinc/63/63/08/664636308.db2.gz DLLGUYPPJHVQPD-YPMHNXCESA-N 1 0 375.332 2.504 20 0 GFADRO COc1cc(Br)c(S(=O)(=O)NC[C@@H]2CC[C@H]([NH3+])C2)cc1Cl ZINC000923737249 664637264 /nfs/dbraw/zinc/63/72/64/664637264.db2.gz SHZOTNVOMNQVJV-BDAKNGLRSA-N 1 0 397.722 2.517 20 0 GFADRO Cc1csc(S(=O)(=O)N2C[C@H](C[C@@H]3COCC[NH2+]3)c3ccccc32)c1 ZINC000923743427 664637575 /nfs/dbraw/zinc/63/75/75/664637575.db2.gz IQIQPPZXCMEDKP-LSDHHAIUSA-N 1 0 378.519 2.728 20 0 GFADRO [NH3+]CC[C@@H]1Cc2ccccc2N(S(=O)(=O)c2occc2Br)C1 ZINC000923751433 664637625 /nfs/dbraw/zinc/63/76/25/664637625.db2.gz XDPPMBMBHRRWJN-LLVKDONJSA-N 1 0 385.283 2.759 20 0 GFADRO Cc1ccc(S(=O)(=O)N2C[C@@H](C[C@H]3COCC[NH2+]3)c3ccccc32)s1 ZINC000923747830 664637722 /nfs/dbraw/zinc/63/77/22/664637722.db2.gz YJJFLZHHNCUIFS-CABCVRRESA-N 1 0 378.519 2.728 20 0 GFADRO COC(=O)[C@H](OC(=O)COC1CC[NH+](C)CC1)c1ccc(Cl)cc1Cl ZINC000923788446 664637957 /nfs/dbraw/zinc/63/79/57/664637957.db2.gz BMHZVVVLTUMRFE-MRXNPFEDSA-N 1 0 390.263 2.862 20 0 GFADRO C[C@H](OC(=O)COC1CC[NH+](C)CC1)C(=O)c1ccccc1Br ZINC000923788283 664638022 /nfs/dbraw/zinc/63/80/22/664638022.db2.gz LGQZTHPHMJEQAJ-LBPRGKRZSA-N 1 0 384.270 2.674 20 0 GFADRO Ic1cccc(-c2noc([C@@H]3C[N@@H+]4CCC[C@H]4CO3)n2)c1 ZINC000923809440 664638279 /nfs/dbraw/zinc/63/82/79/664638279.db2.gz WYBMIKFQWUJVCU-STQMWFEESA-N 1 0 397.216 2.877 20 0 GFADRO Cn1ncc(-c2noc(C[N@H+](C)CCc3ccccc3)n2)c1Br ZINC000924028481 664644858 /nfs/dbraw/zinc/64/48/58/664644858.db2.gz ZIYOFMVBNVRULU-UHFFFAOYSA-N 1 0 376.258 2.907 20 0 GFADRO C[NH+](C)CC1(c2nc(-c3n[nH]c(-c4cccc(Br)c4)n3)no2)CC1 ZINC000924058500 664645824 /nfs/dbraw/zinc/64/58/24/664645824.db2.gz PBSSHWUMGSODPE-UHFFFAOYSA-N 1 0 389.257 2.877 20 0 GFADRO CN(C)c1cc[nH+]c(CNC(=O)NC[C@@H](O)c2ccc(Cl)c(Cl)c2)c1 ZINC000924674638 664659389 /nfs/dbraw/zinc/65/93/89/664659389.db2.gz PZUWFSRIIRQRIT-MRXNPFEDSA-N 1 0 383.279 2.987 20 0 GFADRO CN1C(=O)N([C@@H]2CC[N@@H+](C3CC3)C2)C(=O)[C@@H]1c1ccc(Br)s1 ZINC000924884638 664663597 /nfs/dbraw/zinc/66/35/97/664663597.db2.gz CVSQIVFOJWFADC-MFKMUULPSA-N 1 0 384.299 2.682 20 0 GFADRO CC1(C)CNC(=O)[C@@H]1[NH2+]CC1(c2ccc(Br)cc2)CCOCC1 ZINC000924901412 664663768 /nfs/dbraw/zinc/66/37/68/664663768.db2.gz IKTFRYRIDOXIBK-HNNXBMFYSA-N 1 0 381.314 2.612 20 0 GFADRO CCN(CC)S(=O)(=O)c1ccc(CC[NH2+][C@@H](C)Cc2ccccn2)s1 ZINC000924945719 664664321 /nfs/dbraw/zinc/66/43/21/664664321.db2.gz HKFVEJXLZUWJDT-HNNXBMFYSA-N 1 0 381.567 2.937 20 0 GFADRO C[NH+](C)C[C@H]1NC(=O)N([C@@H]2CCCSc3ccc(Br)cc32)C1=O ZINC000925016215 664665203 /nfs/dbraw/zinc/66/52/03/664665203.db2.gz OCSXXBMTTCXUEK-CHWSQXEVSA-N 1 0 398.326 2.858 20 0 GFADRO C[C@@H](NC[C@H]1C[N@H+](C)CCN1C)C(F)(F)c1ccc(Br)cc1 ZINC000925033512 664665641 /nfs/dbraw/zinc/66/56/41/664665641.db2.gz VZGDGTPLGSLNBZ-DOMZBBRYSA-N 1 0 376.289 2.765 20 0 GFADRO CC[C@@H](C[NH2+][C@@H]1C(=O)NCC12CCOCC2)Cc1cccc(Br)c1 ZINC000925095443 664666789 /nfs/dbraw/zinc/66/67/89/664666789.db2.gz KQEKPFDZLMJLRD-RHSMWYFYSA-N 1 0 395.341 2.903 20 0 GFADRO C[C@H](NCC1(O)CC[NH+](C)CC1)C(F)(F)c1ccc(Br)cc1 ZINC000925111309 664666906 /nfs/dbraw/zinc/66/69/06/664666906.db2.gz BQXFBSJUTXJISW-LBPRGKRZSA-N 1 0 377.273 2.976 20 0 GFADRO C[C@@H]([NH2+]CCc1ccc(S(=O)(=O)N2CCCCC2)s1)c1cn(C)cn1 ZINC000925165694 664667665 /nfs/dbraw/zinc/66/76/65/664667665.db2.gz KTGMSNCHEZYWOQ-CQSZACIVSA-N 1 0 382.555 2.550 20 0 GFADRO O=C(N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12)N1CCC2(CC1)C(F)(F)C2(F)F ZINC000925167854 664667816 /nfs/dbraw/zinc/66/78/16/664667816.db2.gz RMRIROZKOMDRHQ-NEPJUHHUSA-N 1 0 381.439 2.642 20 0 GFADRO CCC[N@@H+]1CC[C@@H](N2C(=O)[C@H]3Cc4c(Br)cccc4CN3C2=O)C1 ZINC000925357956 664670846 /nfs/dbraw/zinc/67/08/46/664670846.db2.gz IBBHWZGQBPKOSU-CZUORRHYSA-N 1 0 392.297 2.622 20 0 GFADRO O[C@@H](C[NH2+][C@@H](C1CC1)C1CCOCC1)COc1ccccc1Br ZINC000925544468 664672947 /nfs/dbraw/zinc/67/29/47/664672947.db2.gz RWAROMZFKSIFPO-YJBOKZPZSA-N 1 0 384.314 2.984 20 0 GFADRO Cc1cc(Br)cn2cc(CCN[C@H]3[C@@H]4[NH2+]C[C@H]5C[C@H]3C[C@H]45)nc12 ZINC000925648199 664673739 /nfs/dbraw/zinc/67/37/39/664673739.db2.gz QMRVPTDQXNZJGF-NCZBFZFDSA-N 1 0 375.314 2.534 20 0 GFADRO [NH3+][C@@H]1C[C@H]2COC[C@@H](C1)[C@@H]2NCC(F)(F)c1ccc(Br)cc1 ZINC000925720031 664674267 /nfs/dbraw/zinc/67/42/67/664674267.db2.gz DIFIXZOBAIJBDQ-DAGZJUSDSA-N 1 0 375.257 2.883 20 0 GFADRO OCC[NH+]1CCC(N[C@@H](c2ccc(Br)cc2)c2cccnc2)CC1 ZINC000925829734 664675363 /nfs/dbraw/zinc/67/53/63/664675363.db2.gz GKRFKKWNPRKSSK-IBGZPJMESA-N 1 0 390.325 2.980 20 0 GFADRO CC[C@@H]1CN(S(C)(=O)=O)CC[C@H]1[NH2+][C@@H](C)c1cccc(Br)n1 ZINC000925885185 664676633 /nfs/dbraw/zinc/67/66/33/664676633.db2.gz RUSZFRZJFNDFMG-OUCADQQQSA-N 1 0 390.347 2.555 20 0 GFADRO CC[C@@H]1CN(S(=O)(=O)C(C)C)CC[C@@H]1[NH2+][C@H](C)C1(Br)CC1 ZINC000925885092 664676667 /nfs/dbraw/zinc/67/66/67/664676667.db2.gz RIZLXCLACACFIJ-MCIONIFRSA-N 1 0 381.380 2.731 20 0 GFADRO O=C(Nc1cc2c(cc1Br)OCCO2)N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000925909421 664677299 /nfs/dbraw/zinc/67/72/99/664677299.db2.gz HWWAKKDVQCQSJG-QGZVFWFLSA-N 1 0 396.285 2.970 20 0 GFADRO COc1ccc(I)c(NC(=O)N2CC[C@H](CC[NH3+])C2)c1 ZINC000925994950 664678804 /nfs/dbraw/zinc/67/88/04/664678804.db2.gz WAGOAVWXCDVYNX-JTQLQIEISA-N 1 0 389.237 2.502 20 0 GFADRO CSc1cc2c(cc1NC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1)OCCO2 ZINC000925999030 664678851 /nfs/dbraw/zinc/67/88/51/664678851.db2.gz DQKGDEMGEBWKPT-RKDXNWHRSA-N 1 0 377.388 2.533 20 0 GFADRO O=C(Nc1ccc(F)c(Br)c1)N[C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000926045410 664679765 /nfs/dbraw/zinc/67/97/65/664679765.db2.gz IKLMNWAQXCAADL-GFCCVEGCSA-N 1 0 386.265 2.868 20 0 GFADRO CC1(C)CN(C(=O)Nc2cnn(-c3ccccc3Br)c2)C[C@@H]1[NH3+] ZINC000926077181 664681002 /nfs/dbraw/zinc/68/10/02/664681002.db2.gz PVRQARSXYPMWSQ-AWEZNQCLSA-N 1 0 378.274 2.836 20 0 GFADRO Cc1cnc(Br)cc1NC(=O)N1CC[C@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000926098261 664681584 /nfs/dbraw/zinc/68/15/84/664681584.db2.gz UVAUMSFTAOYTRY-DTWKUNHWSA-N 1 0 381.196 2.896 20 0 GFADRO Cc1nccc(NC(=O)N[C@H]2C[C@@](C[NH3+])(c3ccccc3)C2)c1Br ZINC000926096109 664681602 /nfs/dbraw/zinc/68/16/02/664681602.db2.gz NYBHJWWDKPAOSQ-UJKQEGAGSA-N 1 0 389.297 2.755 20 0 GFADRO COc1cc(OC)c(NC(=O)N2CC[C@@H](C[NH3+])[C@@H](C)C2)cc1Br ZINC000926100810 664681693 /nfs/dbraw/zinc/68/16/93/664681693.db2.gz MUQDHSWTXFXIOC-QWRGUYRKSA-N 1 0 386.290 2.915 20 0 GFADRO COC(=O)c1c(C)c(NC(=O)N2CC[C@H](C[NH3+])[C@@H](C)C2)ccc1Br ZINC000926105068 664681806 /nfs/dbraw/zinc/68/18/06/664681806.db2.gz VBUBNLBIMLQOIS-CMPLNLGQSA-N 1 0 398.301 2.993 20 0 GFADRO COC(=O)c1cc(NC(=O)N2C[C@H]([NH3+])C(C)(C)C2)c(C)cc1Br ZINC000926113798 664682173 /nfs/dbraw/zinc/68/21/73/664682173.db2.gz AWQAVULNGZCXJW-ZDUSSCGKSA-N 1 0 384.274 2.745 20 0 GFADRO C[C@@H]1CN(C(=O)Nc2ccc3nccnc3c2Br)CC[C@H]1C[NH3+] ZINC000926118166 664682205 /nfs/dbraw/zinc/68/22/05/664682205.db2.gz ZCELKSCTOBWSSF-MNOVXSKESA-N 1 0 378.274 2.841 20 0 GFADRO CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NC(=O)c1ccc(C(F)(F)F)s1)C2 ZINC000926149416 664682928 /nfs/dbraw/zinc/68/29/28/664682928.db2.gz AQJHRTKVCJYMCW-TWINXVHLSA-N 1 0 376.444 2.976 20 0 GFADRO Cc1oc(Br)cc1C(=O)N[C@@H]1C[C@]2(C[N@@H+](C)[C@H]2C(C)C)C[C@H]1O ZINC000926145074 664682949 /nfs/dbraw/zinc/68/29/49/664682949.db2.gz RHHBUVRREZPOEX-LNCBFAARSA-N 1 0 385.302 2.560 20 0 GFADRO CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NC(=O)c3occc3Br)C2)[C@H]1C(C)C ZINC000926245863 664685331 /nfs/dbraw/zinc/68/53/31/664685331.db2.gz AZIBEYJGYNOVBL-GKLJAUDBSA-N 1 0 385.302 2.642 20 0 GFADRO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NC(=O)c3oc(Br)cc3C)C2)[C@@H]1C(C)C ZINC000926256188 664685830 /nfs/dbraw/zinc/68/58/30/664685830.db2.gz QUQQOLLICDVQBH-GQGSAGHOSA-N 1 0 399.329 2.950 20 0 GFADRO OC[C@H](C[NH2+][C@@H]1CCOC12CCOCC2)Cc1cccc(Br)c1 ZINC000926282750 664686237 /nfs/dbraw/zinc/68/62/37/664686237.db2.gz DQPALBCFBGMTPS-DOTOQJQBSA-N 1 0 384.314 2.528 20 0 GFADRO O=C1NCC2(CCOCC2)[C@H]1[NH2+][C@H]1C[C@H](c2ccc(F)c(Br)c2)C1 ZINC000926348904 664688046 /nfs/dbraw/zinc/68/80/46/664688046.db2.gz WMTIVQVHUSRRAP-XEZPLFJOSA-N 1 0 397.288 2.719 20 0 GFADRO C[C@H]([NH2+]C[C@H](N1CCOCC1)C(F)(F)F)c1cccc(Br)n1 ZINC000926419398 664689789 /nfs/dbraw/zinc/68/97/89/664689789.db2.gz UIHDKYONNIFXKM-JQWIXIFHSA-N 1 0 382.224 2.758 20 0 GFADRO Cc1ccc(C[C@H](CO)C[NH2+][C@H](C)C[C@H]2CCC(=O)N2)cc1Br ZINC000926540396 664691954 /nfs/dbraw/zinc/69/19/54/664691954.db2.gz ZPQVQAIWACPRDJ-VNQPRFMTSA-N 1 0 383.330 2.555 20 0 GFADRO Cc1c(Br)cccc1C[C@H](CO)C[NH2+][C@H](C)c1cc(CO)on1 ZINC000926544625 664692183 /nfs/dbraw/zinc/69/21/83/664692183.db2.gz QIZJQOLFRUPAOW-OLZOCXBDSA-N 1 0 383.286 2.740 20 0 GFADRO C[C@@H]([NH2+]C[C@H]1CN(C(=O)OC(C)(C)C)CCCO1)C1(Br)CC1 ZINC000926546639 664692341 /nfs/dbraw/zinc/69/23/41/664692341.db2.gz VSEGAKJXXHUTQE-OLZOCXBDSA-N 1 0 377.323 2.918 20 0 GFADRO Cc1c(Br)cccc1C[C@H](CO)C[NH2+][C@@H](C)c1cc(CO)on1 ZINC000926544628 664692346 /nfs/dbraw/zinc/69/23/46/664692346.db2.gz QIZJQOLFRUPAOW-STQMWFEESA-N 1 0 383.286 2.740 20 0 GFADRO C[C@H]([NH2+]CCc1cccc(Br)c1)C1CCN(S(C)(=O)=O)CC1 ZINC000926557949 664692535 /nfs/dbraw/zinc/69/25/35/664692535.db2.gz BDFFJBPJECTEIQ-ZDUSSCGKSA-N 1 0 389.359 2.641 20 0 GFADRO Cc1ccc([C@H]([NH2+]CCN2CC[C@@H](O)C2)c2cncc(Br)c2)cc1 ZINC000926767839 664696337 /nfs/dbraw/zinc/69/63/37/664696337.db2.gz UDSXPLZSMOXGHH-MOPGFXCFSA-N 1 0 390.325 2.898 20 0 GFADRO CN(C)[C@@H](CCNC(=O)N(CC[NH+](C)C)Cc1cccs1)C(F)(F)F ZINC000926816543 664697072 /nfs/dbraw/zinc/69/70/72/664697072.db2.gz OAJHDWWXBRSWAL-AWEZNQCLSA-N 1 0 380.480 2.704 20 0 GFADRO C[C@H]([NH2+]CC1C[C@H]2CC[C@@H](C1)S2(=O)=O)c1nc(Br)ccc1F ZINC000926829832 664697427 /nfs/dbraw/zinc/69/74/27/664697427.db2.gz QISGWIJROXFPMQ-YEJSDXFRSA-N 1 0 391.306 2.990 20 0 GFADRO CCO[C@@H](CNC(=O)N1CC[C@H]1c1ccc(Br)cc1)C[NH+](C)C ZINC000926844642 664697784 /nfs/dbraw/zinc/69/77/84/664697784.db2.gz AHSAUCAYRYRMCB-HOTGVXAUSA-N 1 0 384.318 2.872 20 0 GFADRO CCO[C@H](CNC(=O)N1CC[C@@H]1c1ccc(Br)cc1)C[NH+](C)C ZINC000926844643 664697850 /nfs/dbraw/zinc/69/78/50/664697850.db2.gz AHSAUCAYRYRMCB-HZPDHXFCSA-N 1 0 384.318 2.872 20 0 GFADRO C[C@@H]([NH2+]CC1(O)CCC2(CC1)OCCO2)c1nc(Br)ccc1F ZINC000926900572 664698670 /nfs/dbraw/zinc/69/86/70/664698670.db2.gz NZKORIHHIVHZPA-LLVKDONJSA-N 1 0 389.265 2.682 20 0 GFADRO Brc1ccc([C@@H]([NH2+]C[C@H]2C[C@@H]3COC[C@@H]3O2)c2cncnc2)cc1 ZINC000926948185 664699374 /nfs/dbraw/zinc/69/93/74/664699374.db2.gz MQEBUCRRWSRTKN-NKGKWGDASA-N 1 0 390.281 2.722 20 0 GFADRO CN1CC[C@H]([NH2+]CC[C@H]2CNC(=O)C2)C[C@@H]1c1ccc(Br)cc1 ZINC000926979008 664700956 /nfs/dbraw/zinc/70/09/56/664700956.db2.gz KBVSDPFTWCCVDO-XOKHGSTOSA-N 1 0 380.330 2.700 20 0 GFADRO CCO[C@H]1C[C@@H]([NH2+]CC2(n3cc(Br)cn3)CC2)C12CCOCC2 ZINC000927003753 664702026 /nfs/dbraw/zinc/70/20/26/664702026.db2.gz BZSRSYWAHLXXGT-CABCVRRESA-N 1 0 384.318 2.699 20 0 GFADRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)NCC1(n2cc(Br)cn2)CC1 ZINC000927108432 664703986 /nfs/dbraw/zinc/70/39/86/664703986.db2.gz OFNSXXAQRMAOHS-CYBMUJFWSA-N 1 0 398.349 2.506 20 0 GFADRO Cn1nccc1[C@H](O)C[NH2+][C@H](c1cccc(Br)c1)[C@H]1CCOC1 ZINC000927126024 664704936 /nfs/dbraw/zinc/70/49/36/664704936.db2.gz JHSKZFPLOXELBQ-IAOVAPTHSA-N 1 0 380.286 2.583 20 0 GFADRO CC[C@H]([NH2+]C[C@H](O)c1ccnn1C)c1ccc(I)cc1 ZINC000927132315 664705135 /nfs/dbraw/zinc/70/51/35/664705135.db2.gz LIWXCARFJLEKOL-ZFWWWQNUSA-N 1 0 385.249 2.799 20 0 GFADRO Cn1nnc2c1C[C@H]([NH2+][C@@H]1CCCOc3cc(Br)ccc31)CC2 ZINC000927153946 664705195 /nfs/dbraw/zinc/70/51/95/664705195.db2.gz YDMFIBIHKOHZDX-TZMCWYRMSA-N 1 0 377.286 2.938 20 0 GFADRO CN(C)c1cc[nH+]c(CNC(=O)C2(c3cncc(Br)c3)CC2)c1 ZINC000927699381 664714251 /nfs/dbraw/zinc/71/42/51/664714251.db2.gz WFLITSUFEYFAKC-UHFFFAOYSA-N 1 0 375.270 2.653 20 0 GFADRO C[C@@H]1CN(C(=O)C(=O)Nc2cc(Cl)cc(C(F)(F)F)c2)C[C@H]1CC[NH3+] ZINC000927829839 664716402 /nfs/dbraw/zinc/71/64/02/664716402.db2.gz VAKYVAVDCHBAMF-NXEZZACHSA-N 1 0 377.794 2.741 20 0 GFADRO COc1ccc(CC(=O)N[C@H]2CCC[N@@H+]3CCSC[C@H]23)c(Cl)c1OC ZINC000928079540 664721938 /nfs/dbraw/zinc/72/19/38/664721938.db2.gz JAUYGTLHZWZZSH-UONOGXRCSA-N 1 0 384.929 2.596 20 0 GFADRO O=C(Cc1cc(C(F)(F)F)cc(Cl)n1)N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000928088720 664722515 /nfs/dbraw/zinc/72/25/15/664722515.db2.gz IOUUCPROXWODQI-QWHCGFSZSA-N 1 0 393.862 2.992 20 0 GFADRO O=C(C1C[NH+](C2CCOCC2)C1)N1CCC[C@@H]1c1cncc(Br)c1 ZINC000928354760 664728729 /nfs/dbraw/zinc/72/87/29/664728729.db2.gz STASUQZKEVTZKH-QGZVFWFLSA-N 1 0 394.313 2.618 20 0 GFADRO C[C@@H]1[C@H](NC(=O)c2ccc(I)cc2Cl)CC[N@@H+]1C ZINC000928449651 664732736 /nfs/dbraw/zinc/73/27/36/664732736.db2.gz RUBUVWXLBYSIQH-PRHODGIISA-N 1 0 378.641 2.767 20 0 GFADRO Cc1ccc(NC(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)c(Br)c1 ZINC000929204845 664748343 /nfs/dbraw/zinc/74/83/43/664748343.db2.gz XUHHUNGTHKDNPJ-HOTGVXAUSA-N 1 0 382.302 2.820 20 0 GFADRO Cc1cc(C[N@@H+](C)[C@@H](C)c2ccc(S(N)(=O)=O)cc2)cnc1Br ZINC000929224732 664748614 /nfs/dbraw/zinc/74/86/14/664748614.db2.gz CFJLMHXSVKPLFM-LBPRGKRZSA-N 1 0 398.326 2.993 20 0 GFADRO C[C@H]1C[NH+](CCCNC(=O)c2cnc(CCC(F)(F)F)s2)C[C@H](C)O1 ZINC000929630009 664755182 /nfs/dbraw/zinc/75/51/82/664755182.db2.gz AAWPZWPOFWSJNS-RYUDHWBXSA-N 1 0 379.448 2.867 20 0 GFADRO CCS(=O)(=O)N(C)C1CC[NH+](CCOc2ccc(F)c(Cl)c2)CC1 ZINC000929972523 664760710 /nfs/dbraw/zinc/76/07/10/664760710.db2.gz QWTLHOMNLFFCDT-UHFFFAOYSA-N 1 0 378.897 2.604 20 0 GFADRO CC(C)(CO)[NH+]1CCN(CCCCOc2ccc(Br)cc2)CC1 ZINC000929982273 664760819 /nfs/dbraw/zinc/76/08/19/664760819.db2.gz UBUAQCRYRKAHHF-UHFFFAOYSA-N 1 0 385.346 2.997 20 0 GFADRO Cc1cc(C[NH2+][C@H](C)c2cccc(S(N)(=O)=O)c2)cnc1Br ZINC000930185744 664764045 /nfs/dbraw/zinc/76/40/45/664764045.db2.gz MPWIAGJNWLWHJU-LLVKDONJSA-N 1 0 384.299 2.651 20 0 GFADRO Cn1cc(NC(=O)NC2CCC(C)([NH+]3CCC3)CC2)cc(Br)c1=O ZINC000930372924 664768701 /nfs/dbraw/zinc/76/87/01/664768701.db2.gz DDMPGBPNVDXQOJ-UHFFFAOYSA-N 1 0 397.317 2.676 20 0 GFADRO Cc1cc(C)c(NC(=O)N2CCN(C)CC[N@@H+](C)CC2)c(Br)c1 ZINC000930449299 664770833 /nfs/dbraw/zinc/77/08/33/664770833.db2.gz LBVKOQWLNOUMTH-UHFFFAOYSA-N 1 0 383.334 2.777 20 0 GFADRO C[C@H]([NH2+]CCO[C@H]1CCOC1)c1ccc(Br)cc1OCCCO ZINC000930531891 664772555 /nfs/dbraw/zinc/77/25/55/664772555.db2.gz NXIFVIRLJBTZDX-ZFWWWQNUSA-N 1 0 388.302 2.666 20 0 GFADRO CC[NH+]1CCC(CNC(=O)C[C@@H]2C(=O)Nc3ccc(Br)cc32)CC1 ZINC000930587694 664773760 /nfs/dbraw/zinc/77/37/60/664773760.db2.gz KYOMCXKRAIXPQA-HNNXBMFYSA-N 1 0 394.313 2.723 20 0 GFADRO Cn1cnnc1N1CC[NH+](CCCCOc2ccc(Br)cc2)CC1 ZINC000930887210 664780213 /nfs/dbraw/zinc/78/02/13/664780213.db2.gz BJHRRNWKWJPPRO-UHFFFAOYSA-N 1 0 394.317 2.559 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)C[N@@H+]1[C@H](C)CC[C@@H](C(N)=O)[C@@H]1C ZINC000930914606 664780981 /nfs/dbraw/zinc/78/09/81/664780981.db2.gz ISLJTKBWHLBBER-MBNYWOFBSA-N 1 0 382.302 2.670 20 0 GFADRO O[C@@H](C[NH+]1CCC(O)(Cc2ccccn2)CC1)c1ccc(Br)cc1 ZINC000930983584 664782438 /nfs/dbraw/zinc/78/24/38/664782438.db2.gz QXTOIFGYFHUDMT-SFHVURJKSA-N 1 0 391.309 2.947 20 0 GFADRO O=C(NCC[NH+]1CCC(O)CC1)Nc1cccc(Cl)c1Br ZINC000931078289 664784727 /nfs/dbraw/zinc/78/47/27/664784727.db2.gz SIZVMXNSYCNTFV-UHFFFAOYSA-N 1 0 376.682 2.681 20 0 GFADRO C[C@H](C(=O)NCC1CC[NH+](C)CC1)c1ccc(I)cc1 ZINC000931431329 664794762 /nfs/dbraw/zinc/79/47/62/664794762.db2.gz KVANTFSLWDCFJJ-LBPRGKRZSA-N 1 0 386.277 2.853 20 0 GFADRO COC(=O)[C@@H](c1cccc(Cl)c1Cl)N1CCC(O)(C[NH+](C)C)CC1 ZINC000931482707 664796125 /nfs/dbraw/zinc/79/61/25/664796125.db2.gz NKPXWLYZGIUTBT-OAHLLOKOSA-N 1 0 375.296 2.596 20 0 GFADRO C[C@]1(c2ccc(C(F)(F)F)cc2)CCC[N@@H+]1CC1CN(S(C)(=O)=O)C1 ZINC000931553185 664798304 /nfs/dbraw/zinc/79/83/04/664798304.db2.gz GIWYMVVENGUHMT-MRXNPFEDSA-N 1 0 376.444 2.908 20 0 GFADRO O=C(C[C@@H]1C(=O)Nc2c1cccc2Br)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000931651287 664801780 /nfs/dbraw/zinc/80/17/80/664801780.db2.gz OOIRMHLTHKQLPI-OCCSQVGLSA-N 1 0 392.297 2.572 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)CCC[NH2+][C@@H]1C(=O)NCC1(C)C ZINC000931652464 664801798 /nfs/dbraw/zinc/80/17/98/664801798.db2.gz GOXMHCOHCHHHES-MRXNPFEDSA-N 1 0 396.329 2.899 20 0 GFADRO CC(C)N1CCC[C@H]1C(=O)Nc1cc(N2CCCS2(=O)=O)ccc1Cl ZINC000931788549 664804959 /nfs/dbraw/zinc/80/49/59/664804959.db2.gz SXZGDMZPTVIGJR-INIZCTEOSA-N 1 0 385.917 2.691 20 0 GFADRO C[N@@H+]1C[C@H]2CCN(C(=O)Nc3ccc(I)cc3F)[C@@H]2C1 ZINC000931913778 664807240 /nfs/dbraw/zinc/80/72/40/664807240.db2.gz HLAWWUMGOWBMGG-NOZJJQNGSA-N 1 0 389.212 2.598 20 0 GFADRO CN(CC1CC[NH+](C)CC1)C(=O)c1cc(Br)c2nccnc2c1 ZINC000931962304 664808007 /nfs/dbraw/zinc/80/80/07/664808007.db2.gz UQNLTAWMMTXNSI-UHFFFAOYSA-N 1 0 377.286 2.806 20 0 GFADRO CCO[C@H](CNC(=O)Nc1ccc(F)c(Br)c1F)C[NH+](C)C ZINC000931971942 664808147 /nfs/dbraw/zinc/80/81/47/664808147.db2.gz QVJNYFRVFHLZGW-SECBINFHSA-N 1 0 380.233 2.816 20 0 GFADRO C[N@@H+]1CCC[C@@H](NC(=O)c2cnn(Cc3ccccc3)c2Br)C1 ZINC000932070474 664809650 /nfs/dbraw/zinc/80/96/50/664809650.db2.gz MOWWKPXOYASXTH-CQSZACIVSA-N 1 0 377.286 2.518 20 0 GFADRO C[C@@]1(C2CC[NH+](C[C@@H](O)c3ccc(Br)cc3)CC2)COC(=O)N1 ZINC000932090945 664809982 /nfs/dbraw/zinc/80/99/82/664809982.db2.gz CSWFWKJONXUKBI-WBVHZDCISA-N 1 0 383.286 2.693 20 0 GFADRO C[NH+]1CCC2(CCN2C(=O)Nc2nnc(C(F)(F)C(F)(F)F)s2)CC1 ZINC000932091337 664810035 /nfs/dbraw/zinc/81/00/35/664810035.db2.gz NBSWPNXFDLXHEG-UHFFFAOYSA-N 1 0 385.362 2.894 20 0 GFADRO Cc1ccc(Br)c2cc(C(=O)N[C@@H](C)CN3CC[NH+](C)CC3)[nH]c21 ZINC000932187630 664812566 /nfs/dbraw/zinc/81/25/66/664812566.db2.gz UPPHMEQKEGRWMW-ZDUSSCGKSA-N 1 0 393.329 2.605 20 0 GFADRO CC[N@H+](CCC(N)=O)Cc1coc(-c2ccc(I)cc2)n1 ZINC000932479039 664823071 /nfs/dbraw/zinc/82/30/71/664823071.db2.gz PVSUDAVOAVSXIQ-UHFFFAOYSA-N 1 0 399.232 2.644 20 0 GFADRO COC(=O)c1cnc([C@H]2CC[N@H+](CCOCC(F)(F)C(F)(F)F)C2)s1 ZINC000932666708 664831112 /nfs/dbraw/zinc/83/11/12/664831112.db2.gz IQAIXFDFXPQYDK-VIFPVBQESA-N 1 0 388.358 2.933 20 0 GFADRO COC(=O)c1cnc([C@@H]2CC[N@H+](C[C@H](O)Cc3cccc(Cl)c3)C2)s1 ZINC000932674054 664831533 /nfs/dbraw/zinc/83/15/33/664831533.db2.gz VREUKFHFJRXPHQ-UKRRQHHQSA-N 1 0 380.897 2.976 20 0 GFADRO CC[NH+]1CCN([C@H](C)CNC(=O)c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000932703593 664832159 /nfs/dbraw/zinc/83/21/59/664832159.db2.gz PUVFDTXUJNDJHC-LLVKDONJSA-N 1 0 378.826 2.510 20 0 GFADRO Cc1cc(C(=O)N2CC[C@@H](C[NH+](C)C)C2)nn1-c1ccccc1Br ZINC000932795072 664838941 /nfs/dbraw/zinc/83/89/41/664838941.db2.gz HIMXMMYUTGNWHN-AWEZNQCLSA-N 1 0 391.313 2.967 20 0 GFADRO O[C@@H](COc1ccc(Cl)cc1Cl)C[NH+]1CCC2(CC1)C[C@@H](O)CCO2 ZINC000933067036 664849081 /nfs/dbraw/zinc/84/90/81/664849081.db2.gz RJTSHAHVVOCHTK-LSDHHAIUSA-N 1 0 390.307 2.739 20 0 GFADRO Ic1cnn2c1C[N@H+](CCCC1CCOCC1)CC2 ZINC000933112659 664849906 /nfs/dbraw/zinc/84/99/06/664849906.db2.gz ZIJUVTCFHBPWAD-UHFFFAOYSA-N 1 0 375.254 2.510 20 0 GFADRO COc1cc(Br)cc(C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)c1 ZINC000933165310 664851234 /nfs/dbraw/zinc/85/12/34/664851234.db2.gz PLESNYZWKSDGTM-CYBMUJFWSA-N 1 0 397.313 2.688 20 0 GFADRO CC[NH+](CC)CC[C@@H](CO)NC(=O)Nc1c(F)ccc(Br)c1F ZINC000933297055 664856295 /nfs/dbraw/zinc/85/62/95/664856295.db2.gz AGMKZGQJNWQUOS-JTQLQIEISA-N 1 0 394.260 2.942 20 0 GFADRO Cc1ccc(Br)c2[nH]c(C(=O)N[C@H](C)[C@@H]3C[N@H+](C)CCN3C)cc21 ZINC000933388159 664861516 /nfs/dbraw/zinc/86/15/16/664861516.db2.gz RDUINDQDUSGCMX-WBMJQRKESA-N 1 0 393.329 2.603 20 0 GFADRO Cc1ccc2[nH]c(C(=O)N[C@H](C)[C@H]3C[N@H+](C)CCN3C)cc2c1Br ZINC000933387445 664861575 /nfs/dbraw/zinc/86/15/75/664861575.db2.gz OJKXNGRQVADJIQ-MLGOLLRUSA-N 1 0 393.329 2.603 20 0 GFADRO COC(=O)c1cccc(C[NH2+][C@](C)(CO)Cc2ccc(Br)cc2)n1 ZINC000933443848 664864803 /nfs/dbraw/zinc/86/48/03/664864803.db2.gz ZTCUBPSJIACATP-SFHVURJKSA-N 1 0 393.281 2.714 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)c2cc3ccc(Br)cc3c(=O)o2)CC[N@@H+]1C ZINC000933492300 664866924 /nfs/dbraw/zinc/86/69/24/664866924.db2.gz SUQFFTNMWVWSRO-MFKMUULPSA-N 1 0 379.254 2.768 20 0 GFADRO C[N@@H+]1C[C@@H]2CN(Cc3noc(Cc4ccc(Br)cc4)n3)C[C@]2(C)C1 ZINC000933740599 664876123 /nfs/dbraw/zinc/87/61/23/664876123.db2.gz MIHCACDBBZZCSH-KDOFPFPSSA-N 1 0 391.313 2.806 20 0 GFADRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1ncc(Br)cn1 ZINC000933814476 664878795 /nfs/dbraw/zinc/87/87/95/664878795.db2.gz NNCGLIGOAZRSAZ-OAHLLOKOSA-N 1 0 389.297 2.833 20 0 GFADRO COCCOc1ccc(NC(=O)NC[C@@H](C)C[NH+](C)C)cc1Br ZINC000933984589 664884561 /nfs/dbraw/zinc/88/45/61/664884561.db2.gz QGWIJOVXVOLBJF-GFCCVEGCSA-N 1 0 388.306 2.794 20 0 GFADRO CN1CCN(CCOc2ccc(Cl)cc2Br)CC[N@H+](C)CC1 ZINC000933998476 664886311 /nfs/dbraw/zinc/88/63/11/664886311.db2.gz ZWLVOAZHHDQKPF-UHFFFAOYSA-N 1 0 390.753 2.661 20 0 GFADRO COC(=O)C[C@H]([NH2+]Cc1cc(=O)n2cc(Br)ccc2n1)C(C)(C)C ZINC000934033260 664888291 /nfs/dbraw/zinc/88/82/91/664888291.db2.gz YCGZZDCNWMSYQZ-ZDUSSCGKSA-N 1 0 396.285 2.524 20 0 GFADRO O=[S@](CCN1CC[C@H]2[C@@H]1CCC[N@H+]2CCO)c1cc(Cl)ccc1Cl ZINC000934260174 664895028 /nfs/dbraw/zinc/89/50/28/664895028.db2.gz MTIYOYHPGKITGZ-CCHLGUQTSA-N 1 0 391.364 2.632 20 0 GFADRO Cc1ccc(NC(=O)C[NH2+][C@@H]2CCOC23CCOCC3)c(Br)c1 ZINC000934407260 664905941 /nfs/dbraw/zinc/90/59/41/664905941.db2.gz YDDMLJFMWHUPMA-OAHLLOKOSA-N 1 0 383.286 2.624 20 0 GFADRO O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)c1cnc(CCC(F)(F)F)s1 ZINC000934724175 664915715 /nfs/dbraw/zinc/91/57/15/664915715.db2.gz WRBXHLCABJSVKX-LBPRGKRZSA-N 1 0 377.432 2.621 20 0 GFADRO O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)c1cc(F)cc(Br)c1F ZINC000934723348 664915874 /nfs/dbraw/zinc/91/58/74/664915874.db2.gz MIXLVJRCJDKCDN-LBPRGKRZSA-N 1 0 389.240 2.710 20 0 GFADRO CC(C)c1ncc(Br)c(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)n1 ZINC000934891648 664928551 /nfs/dbraw/zinc/92/85/51/664928551.db2.gz TZGSAKKYUFISQM-GXTWGEPZSA-N 1 0 381.318 2.919 20 0 GFADRO Cc1[nH]nc(Br)c1C(=O)Nc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000935140248 664941977 /nfs/dbraw/zinc/94/19/77/664941977.db2.gz OZICEJLEXLBFGQ-UHFFFAOYSA-N 1 0 393.285 2.690 20 0 GFADRO Cc1[nH]nc(Br)c1C(=O)Nc1ccccc1C[NH+]1CCC(O)CC1 ZINC000935141609 664942345 /nfs/dbraw/zinc/94/23/45/664942345.db2.gz UPCOKEJBDWPVIX-UHFFFAOYSA-N 1 0 393.285 2.690 20 0 GFADRO C[NH+]1CCC(C)(CNC(=O)[C@@](C)(O)c2ccc(F)c(Br)c2)CC1 ZINC000935295910 664951622 /nfs/dbraw/zinc/95/16/22/664951622.db2.gz QMWWJJSCBORHIO-KRWDZBQOSA-N 1 0 387.293 2.644 20 0 GFADRO C[C@H]1C[N@H+](CCCNC(=O)c2cc(Br)cnc2C2CC2)CCCO1 ZINC000935653455 664978599 /nfs/dbraw/zinc/97/85/99/664978599.db2.gz BVJHNXSXKRBTQK-ZDUSSCGKSA-N 1 0 396.329 2.952 20 0 GFADRO O=C(NCC1CC[NH+](C2CC2)CC1)c1cnn2cccc(Br)c12 ZINC000935680146 664980850 /nfs/dbraw/zinc/98/08/50/664980850.db2.gz KXXRWOJRVOCAEL-UHFFFAOYSA-N 1 0 377.286 2.701 20 0 GFADRO Cc1c(Br)ccc(F)c1C(=O)N1C[C@@H](N2CCOCC2)C[C@@H]1C ZINC000935930446 664999218 /nfs/dbraw/zinc/99/92/18/664999218.db2.gz AHYIBOLQFMYVIP-AAEUAGOBSA-N 1 0 385.277 2.832 20 0 GFADRO O=C(NCC1CC[NH+](CC[C@@H]2CC2(Cl)Cl)CC1)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001001649582 665052130 /nfs/dbraw/zinc/05/21/30/665052130.db2.gz AIHMWIUCMXZHMQ-JHMPBIJASA-N 1 0 387.351 2.822 20 0 GFADRO C[C@@H]1[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cscc2Cl)C3)CC[N@@H+]1C ZINC001003449033 665060795 /nfs/dbraw/zinc/06/07/95/665060795.db2.gz NKNZYJGUPRFHJL-BQJFBPGXSA-N 1 0 381.929 2.603 20 0 GFADRO C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2ccsc2Cl)C1 ZINC001004362727 665063981 /nfs/dbraw/zinc/06/39/81/665063981.db2.gz VJTJWMSSSUHEOM-MXYBEHONSA-N 1 0 381.929 2.605 20 0 GFADRO C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2sccc2Cl)C1 ZINC001004363376 665064155 /nfs/dbraw/zinc/06/41/55/665064155.db2.gz WDXAZPJKSQBDGU-GBOPCIDUSA-N 1 0 381.929 2.605 20 0 GFADRO C[N@@H+]1CC[C@H](CC(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ccc(Cl)s2)C3)C1 ZINC001006403691 665070265 /nfs/dbraw/zinc/07/02/65/665070265.db2.gz JYZLQVVSLQBKKO-SYQHCUMBSA-N 1 0 381.929 2.605 20 0 GFADRO C[C@@H](C(=O)Nc1cccc(Br)c1)N1CCC([N@H+](C)CCCO)CC1 ZINC000115547540 677395412 /nfs/dbraw/zinc/39/54/12/677395412.db2.gz VAGFXTZRXFMYBA-AWEZNQCLSA-N 1 0 398.345 2.555 20 0 GFADRO Cc1cccc(I)c1C(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000120194386 677395895 /nfs/dbraw/zinc/39/58/95/677395895.db2.gz ANKBPFCOQNGSIY-NWDGAFQWSA-N 1 0 384.261 2.955 20 0 GFADRO O=C1CC[C@H]([NH2+]Cc2ccc(Br)c(Br)c2)CCN1 ZINC000396735217 677411625 /nfs/dbraw/zinc/41/16/25/677411625.db2.gz UVIFLVHVNTWOSL-JTQLQIEISA-N 1 0 376.092 2.970 20 0 GFADRO [NH3+][C@]12C[C@H]1CN(C(F)(F)c1nc(Cl)ncc1C(=O)OCc1ccccc1)C2 ZINC001164416329 718886042 /nfs/dbraw/zinc/88/60/42/718886042.db2.gz VCZXCWUIQRZFJY-SJCJKPOMSA-N 1 0 394.809 2.569 20 0 GFADRO CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@H]2N1C(F)(F)c1cnc(Cl)c(Cl)c1 ZINC001164618903 719012319 /nfs/dbraw/zinc/01/23/19/719012319.db2.gz URDVKNMPOQCPQC-JFUSQASVSA-N 1 0 380.222 2.663 20 0 GFADRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(F)(F)Oc1cc(Cl)nc(Cl)c1 ZINC001164615579 719019221 /nfs/dbraw/zinc/01/92/21/719019221.db2.gz IWHDWJPLUDCQRG-INTQDDNPSA-N 1 0 396.221 2.543 20 0 GFADRO CCOC(=O)C1CC[NH+](C2CCN(c3ccnc(-c4cccnc4)n3)CC2)CC1 ZINC001164616408 719028111 /nfs/dbraw/zinc/02/81/11/719028111.db2.gz DCNUWRMEOIDSQR-UHFFFAOYSA-N 1 0 395.507 2.783 20 0 GFADRO CCOC(=O)C1CC[NH+](C2CCN(c3ccc(-c4ccco4)nn3)CC2)CC1 ZINC001164616498 719033353 /nfs/dbraw/zinc/03/33/53/719033353.db2.gz DNYDYOCMQFLACL-UHFFFAOYSA-N 1 0 384.480 2.981 20 0 GFADRO COC(=O)c1cc2c(N3CCC[C@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)[nH]cnc-2n1 ZINC001164628484 719061526 /nfs/dbraw/zinc/06/15/26/719061526.db2.gz RZCCWQCCLHQQFI-LPHOPBHVSA-N 1 0 391.475 2.797 20 0 GFADRO COC(=O)c1cc(OC)cnc1N1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001164623566 719070405 /nfs/dbraw/zinc/07/04/05/719070405.db2.gz JTGHCESJKHLBOK-XLIONFOSSA-N 1 0 381.476 2.978 20 0 GFADRO CCOC(=O)Cc1ccc(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)nn1 ZINC001164629003 719088739 /nfs/dbraw/zinc/08/87/39/719088739.db2.gz PSPAWFHHRSAGBT-QUCCMNQESA-N 1 0 380.492 2.683 20 0 GFADRO CON(C)C(=O)c1cccnc1N1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001164628129 719089628 /nfs/dbraw/zinc/08/96/28/719089628.db2.gz MCNFDUGRKSBSCC-ICSRJNTNSA-N 1 0 380.492 2.816 20 0 GFADRO CC1(C)C(=O)Nc2ncnc(N3CCC[C@@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)c21 ZINC001164627362 719094066 /nfs/dbraw/zinc/09/40/66/719094066.db2.gz JYDOYEOVBAOINL-SJORKVTESA-N 1 0 377.492 2.807 20 0 GFADRO O=c1ccccn1-c1nccc(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)n1 ZINC001164628615 719100452 /nfs/dbraw/zinc/10/04/52/719100452.db2.gz NUCXIJRCLRRRAT-WOJBJXKFSA-N 1 0 387.487 2.728 20 0 GFADRO C[N@@H+]1CCO[C@@H]2CN(c3ccc(-c4ccc(N5CCCCC5)cc4)nn3)C[C@H]21 ZINC001164666136 719469453 /nfs/dbraw/zinc/46/94/53/719469453.db2.gz BWDMHMSEUXMBTR-NHCUHLMSSA-N 1 0 379.508 2.653 20 0 GFADRO CNC(=O)C[N@@H+]1CCCC12CCN(C(F)(F)c1cc(C)nc(Cl)c1)CC2 ZINC001164685320 719700898 /nfs/dbraw/zinc/70/08/98/719700898.db2.gz VBLFQHLHFVWDSU-UHFFFAOYSA-N 1 0 386.874 2.769 20 0 GFADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1ncc(F)c(-c3ccsc3)n1)CC2 ZINC001164689899 719753727 /nfs/dbraw/zinc/75/37/27/719753727.db2.gz ODMJSLCBMWBRPH-UHFFFAOYSA-N 1 0 389.500 2.525 20 0 GFADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3[C@H](C2)OCCN3c2ncccn2)nc1 ZINC001164691497 719801579 /nfs/dbraw/zinc/80/15/79/719801579.db2.gz IGIATOVLEUGWSW-AQNXPRMDSA-N 1 0 394.523 2.513 20 0 GFADRO c1csc(C[N@@H+]2CCOC3(CCN(c4nccc(NC5CC5)n4)CC3)C2)c1 ZINC001164697534 719886276 /nfs/dbraw/zinc/88/62/76/719886276.db2.gz CGCCPRBQKUWALQ-UHFFFAOYSA-N 1 0 385.537 2.984 20 0 GFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(Cl)nc3[nH]ccc31)C2 ZINC001164809745 720067822 /nfs/dbraw/zinc/06/78/22/720067822.db2.gz JVNFAAWWPVDIKI-AUUYWEPGSA-N 1 0 375.904 2.796 20 0 GFADRO CCOC(=O)/C=C/c1cccnc1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@H]2COC ZINC001164815794 720075322 /nfs/dbraw/zinc/07/53/22/720075322.db2.gz ZQHZXJYTLUEACO-WWQISKJESA-N 1 0 399.535 2.843 20 0 GFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1cnc(Cl)nc1)C2 ZINC001164811244 720086290 /nfs/dbraw/zinc/08/62/90/720086290.db2.gz NJHQAUYZPUBEPY-RDJZCZTQSA-N 1 0 386.874 2.860 20 0 GFADRO CCOc1ccnc(N2CCC3(C[C@@H](COC)[N@H+](Cc4ccccn4)C3)CC2)n1 ZINC001164714226 720112610 /nfs/dbraw/zinc/11/26/10/720112610.db2.gz AUTXXSNYEYEWCG-IBGZPJMESA-N 1 0 397.523 2.778 20 0 GFADRO CCc1ccc(N2CCC3(C[C@@H](COC)[N@H+](Cc4ccccn4)C3)CC2)nn1 ZINC001164713993 720128077 /nfs/dbraw/zinc/12/80/77/720128077.db2.gz UTTQJWJIKXLCKX-FQEVSTJZSA-N 1 0 381.524 2.942 20 0 GFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cc(C(=O)N3CCCC3)ccn1)C2 ZINC001164816518 720145904 /nfs/dbraw/zinc/14/59/04/720145904.db2.gz ZUMALRDSWGLDMR-NZQKXSOJSA-N 1 0 398.551 2.502 20 0 GFADRO Cn1nnc2c1CCN(c1ccc(C(C)(C)C)cn1)[C@H]2COCC[NH+]1CCCC1 ZINC001164717864 720206219 /nfs/dbraw/zinc/20/62/19/720206219.db2.gz JUHRSMHQINVJCF-IBGZPJMESA-N 1 0 398.555 2.724 20 0 GFADRO CCCCc1cc(N2CCCn3c(=O)cc(C[N@H+](C)C(C)C)nc3C2)ncn1 ZINC001164818609 720241938 /nfs/dbraw/zinc/24/19/38/720241938.db2.gz ZWTNSFMWRRWYQW-UHFFFAOYSA-N 1 0 384.528 2.626 20 0 GFADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2ncc3ccccc3n2)CC1 ZINC001164818025 720285680 /nfs/dbraw/zinc/28/56/80/720285680.db2.gz HKTBDFKHQJGUAX-VQTJNVASSA-N 1 0 379.508 2.541 20 0 GFADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2ncnc3sccc32)CC1 ZINC001164820330 720287529 /nfs/dbraw/zinc/28/75/29/720287529.db2.gz VTPIHDIPNLUFTD-SJORKVTESA-N 1 0 385.537 2.603 20 0 GFADRO Cc1ccc(Cl)nc1N1CC[C@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164819152 720288279 /nfs/dbraw/zinc/28/82/79/720288279.db2.gz PQTSIOIHGRYPER-SJORKVTESA-N 1 0 376.932 2.955 20 0 GFADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2nc(Cl)ncc2Cl)CC1 ZINC001164825346 720294559 /nfs/dbraw/zinc/29/45/59/720294559.db2.gz TWDRUGSIFJGGID-GJZGRUSLSA-N 1 0 398.338 2.695 20 0 GFADRO Cc1nc2ccccc2c(N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164826720 720304245 /nfs/dbraw/zinc/30/42/45/720304245.db2.gz WHOVKECXXUBHJP-SFTDATJTSA-N 1 0 393.535 2.850 20 0 GFADRO Cc1c[nH]c2nc(N3CC[C@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)ccc12 ZINC001164825114 720308454 /nfs/dbraw/zinc/30/84/54/720308454.db2.gz SLHBACHNNHSCHB-MOPGFXCFSA-N 1 0 381.524 2.783 20 0 GFADRO Cc1nc(C)c(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c(Cl)n1 ZINC001164818944 720313043 /nfs/dbraw/zinc/31/30/43/720313043.db2.gz BWPGQFVMWQHNBW-DLBZAZTESA-N 1 0 391.947 2.658 20 0 GFADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2nncc3ccc(F)cc32)CC1 ZINC001164828463 720322638 /nfs/dbraw/zinc/32/26/38/720322638.db2.gz JQBWTBZNANRDPQ-VQTJNVASSA-N 1 0 397.498 2.680 20 0 GFADRO COc1nc(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)ccc1Cl ZINC001164830085 720331811 /nfs/dbraw/zinc/33/18/11/720331811.db2.gz OMYQVAKXVKZZAX-DLBZAZTESA-N 1 0 392.931 2.655 20 0 GFADRO Fc1ncccc1-c1ccnc(N2CC[C@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)n1 ZINC001164732493 720413200 /nfs/dbraw/zinc/41/32/00/720413200.db2.gz NTQKPBGYMFDUHL-OALUTQOASA-N 1 0 376.439 2.926 20 0 GFADRO O=c1ccccn1Cc1ccc(N2CC[C@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)nc1 ZINC001164732415 720448276 /nfs/dbraw/zinc/44/82/76/720448276.db2.gz NFXIYBYBGBUQBM-LEWJYISDSA-N 1 0 387.487 2.540 20 0 GFADRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(C(F)(F)COc2ccnc(Cl)c2)C1 ZINC001164731181 720513654 /nfs/dbraw/zinc/51/36/54/720513654.db2.gz ULXAMKBSMSHXPV-CYBMUJFWSA-N 1 0 385.846 2.597 20 0 GFADRO COc1ccc(C(F)(F)N2Cc3nccn3C[C@@H](C[NH+](C)C)C2)nc1Cl ZINC001164727387 720517719 /nfs/dbraw/zinc/51/77/19/720517719.db2.gz FEMWIRHJXZHGIH-GFCCVEGCSA-N 1 0 385.846 2.683 20 0 GFADRO COC(=O)C[C@H](c1ccnc(N2Cc3nccn3C[C@H](C[NH+](C)C)C2)c1)C1CC1 ZINC001164734540 720522686 /nfs/dbraw/zinc/52/26/86/720522686.db2.gz PZUWCUFDVMRIKC-LPHOPBHVSA-N 1 0 397.523 2.533 20 0 GFADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ncnc4cnc(F)cc43)CC[C@@H]21 ZINC001164834744 720523877 /nfs/dbraw/zinc/52/38/77/720523877.db2.gz HLBIFZORZLDUJE-GJYPPUQNSA-N 1 0 395.486 2.738 20 0 GFADRO COc1cccc(-c2ccc(N3Cc4nccn4C[C@H](C[NH+](C)C)C3)nn2)c1 ZINC001164732867 720525243 /nfs/dbraw/zinc/52/52/43/720525243.db2.gz GJANDMBTZZMTTD-INIZCTEOSA-N 1 0 378.480 2.547 20 0 GFADRO CCOC(=O)c1cccc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)n1 ZINC001164838059 720528880 /nfs/dbraw/zinc/52/88/80/720528880.db2.gz NTERZMKTCWFIDC-CMKODMSKSA-N 1 0 397.523 2.833 20 0 GFADRO COC(=O)c1cc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)ncc1C ZINC001164840864 720560237 /nfs/dbraw/zinc/56/02/37/720560237.db2.gz UGYWHBGLIIAIRK-QWFCFKBJSA-N 1 0 397.523 2.751 20 0 GFADRO Cc1cc(N2CCc3ncc(C[NH+]4CCCC4)n3CC2)nc(-c2ccncc2)n1 ZINC001164736705 720579076 /nfs/dbraw/zinc/57/90/76/720579076.db2.gz RECJDTXOJFNVBX-UHFFFAOYSA-N 1 0 389.507 2.702 20 0 GFADRO c1cc2c(nc(C3CC3)nc2N2CCc3ncc(C[NH+]4CCCC4)n3CC2)[nH]1 ZINC001164746400 720592303 /nfs/dbraw/zinc/59/23/03/720592303.db2.gz YEOGKWJVUKXWAX-UHFFFAOYSA-N 1 0 377.496 2.690 20 0 GFADRO CSc1cc(Cl)ncc1N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164741465 720676443 /nfs/dbraw/zinc/67/64/43/720676443.db2.gz TXYXWPNKVHXTDI-CHWSQXEVSA-N 1 0 377.901 2.589 20 0 GFADRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ncc(F)cc1C(N)=O)CC2 ZINC001164841767 720707455 /nfs/dbraw/zinc/70/74/55/720707455.db2.gz WTRQSRZIOVHKMK-GOSISDBHSA-N 1 0 398.482 2.580 20 0 GFADRO COCC[N@@H+]1CCO[C@@H]2CN(C(F)(F)c3ccc(F)c(Cl)n3)CC[C@@H]2C1 ZINC001164850277 720838897 /nfs/dbraw/zinc/83/88/97/720838897.db2.gz FCICQKYEODCKMT-TZMCWYRMSA-N 1 0 393.837 2.593 20 0 GFADRO CSc1cccc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164744740 720845221 /nfs/dbraw/zinc/84/52/21/720845221.db2.gz LNYAKMPFXRZNII-KZNAEPCWSA-N 1 0 384.553 2.774 20 0 GFADRO COCC[N@@H+]1CCO[C@H]2CN(C(F)(F)c3nc(Cl)ccc3F)CC[C@@H]2C1 ZINC001164854334 720853685 /nfs/dbraw/zinc/85/36/85/720853685.db2.gz JJBMYSLPATXENL-OCCSQVGLSA-N 1 0 393.837 2.593 20 0 GFADRO COCC[N@@H+]1CCO[C@H]2CN(c3nc(Cl)nc4cc(C)ccc43)CC[C@@H]2C1 ZINC001164851568 720856982 /nfs/dbraw/zinc/85/69/82/720856982.db2.gz AZFMEOSRTIMYHF-QAPCUYQASA-N 1 0 390.915 2.765 20 0 GFADRO COCC[N@@H+]1CCO[C@@H]2CN(c3ncnc4c3ccn4C3CCCC3)CC[C@@H]2C1 ZINC001164859553 720859023 /nfs/dbraw/zinc/85/90/23/720859023.db2.gz UHNVTHDMNKITEG-YLJYHZDGSA-N 1 0 399.539 2.720 20 0 GFADRO COCC[N@@H+]1CCO[C@@H]2CN(c3cc(F)cc4ncnc(Cl)c43)CC[C@H]2C1 ZINC001164859637 720869910 /nfs/dbraw/zinc/86/99/10/720869910.db2.gz UWEAADFNROAYJH-SUMWQHHRSA-N 1 0 394.878 2.596 20 0 GFADRO COCC[N@@H+]1CCO[C@H]2CN(c3ncnc4ccc(SC)cc43)CC[C@@H]2C1 ZINC001164857639 720887298 /nfs/dbraw/zinc/88/72/98/720887298.db2.gz KFUNLCFWKHIUML-BEFAXECRSA-N 1 0 388.537 2.525 20 0 GFADRO COCC[N@@H+]1CCO[C@H]2CN(c3nccc4cc(OC)c(F)cc43)CC[C@@H]2C1 ZINC001164858640 720888645 /nfs/dbraw/zinc/88/86/45/720888645.db2.gz LMRGTDRQRPHBCQ-UZLBHIALSA-N 1 0 389.471 2.556 20 0 GFADRO CCOC(=O)c1ncnc(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@@H]2C)c1C ZINC001164856314 720969517 /nfs/dbraw/zinc/96/95/17/720969517.db2.gz BHPMEMBBHHWVQO-HNNXBMFYSA-N 1 0 386.500 2.580 20 0 GFADRO Cc1cccc(CN2C(=O)C[C@@H]3[C@H]2CCN3c2ncccc2C[NH+]2CCCC2)n1 ZINC001164774028 721056223 /nfs/dbraw/zinc/05/62/23/721056223.db2.gz UFKPBAKAMDYSOI-NHCUHLMSSA-N 1 0 391.519 2.761 20 0 GFADRO Clc1nc2ncccc2c(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164870914 721059798 /nfs/dbraw/zinc/05/97/98/721059798.db2.gz XJTWVPHIYBRKGZ-JKSUJKDBSA-N 1 0 396.882 2.553 20 0 GFADRO FC(F)(c1cnc(Cl)nc1)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164870006 721061367 /nfs/dbraw/zinc/06/13/67/721061367.db2.gz VDPYQOHECGYJKL-HZPDHXFCSA-N 1 0 395.841 2.550 20 0 GFADRO Clc1nc2cnccc2c(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164871934 721071507 /nfs/dbraw/zinc/07/15/07/721071507.db2.gz ZRKFEGNSBPMERX-HOTGVXAUSA-N 1 0 396.882 2.553 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(C(F)(F)c4ccnc(Cl)c4)C[C@H]3C2)cn1 ZINC001164767512 721075332 /nfs/dbraw/zinc/07/53/32/721075332.db2.gz MAHBWNOKRPGIFG-HUUCEWRRSA-N 1 0 381.858 2.972 20 0 GFADRO Cc1nc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)nc2ccccc12 ZINC001164862808 721078962 /nfs/dbraw/zinc/07/89/62/721078962.db2.gz ASIIVKHQNNAVGE-OALUTQOASA-N 1 0 375.476 2.813 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4ncnc5cc(Cl)ccc54)C[C@@H]3C2)cn1 ZINC001164762218 721108593 /nfs/dbraw/zinc/10/85/93/721108593.db2.gz COXMTPOKXLHDPW-CVEARBPZSA-N 1 0 382.899 2.975 20 0 GFADRO COc1nnc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)c2ccccc21 ZINC001164872608 721139832 /nfs/dbraw/zinc/13/98/32/721139832.db2.gz HWUIRRAKLHFPAV-MSOLQXFVSA-N 1 0 391.475 2.513 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4ncnc5[nH]c6ccccc6c54)C[C@H]3C2)cn1 ZINC001164767237 721147389 /nfs/dbraw/zinc/14/73/89/721147389.db2.gz LYYSXNKJOWSGRT-DLBZAZTESA-N 1 0 387.491 2.803 20 0 GFADRO COc1cc(N2C[C@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)nc2ccccc21 ZINC001164764214 721171603 /nfs/dbraw/zinc/17/16/03/721171603.db2.gz GOURVROWXGVCNF-QZTJIDSGSA-N 1 0 377.492 2.935 20 0 GFADRO CSc1cnc(Cl)c(N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)n1 ZINC001164770106 721185618 /nfs/dbraw/zinc/18/56/18/721185618.db2.gz NBUMZPRWDPOHDQ-UONOGXRCSA-N 1 0 378.933 2.544 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4ncnc5sc6c(c54)CCC6)C[C@@H]3C2)cn1 ZINC001164771451 721194771 /nfs/dbraw/zinc/19/47/71/721194771.db2.gz QAEJOHRKEDGFPW-HOTGVXAUSA-N 1 0 394.548 2.872 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4cc(-c5cccs5)ncn4)C[C@@H]3C2)cn1 ZINC001164771809 721209469 /nfs/dbraw/zinc/20/94/69/721209469.db2.gz QTUXXMIWQGEEOR-SJORKVTESA-N 1 0 380.521 2.897 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4nc5c(nc4Cl)CCCC5)C[C@H]3C2)cn1 ZINC001164766579 721244364 /nfs/dbraw/zinc/24/43/64/721244364.db2.gz UWMFMSUGFJYPJE-JKSUJKDBSA-N 1 0 386.931 2.701 20 0 GFADRO Cc1cccc2c1ncnc2N1CC[C@@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2 ZINC001164890949 721395408 /nfs/dbraw/zinc/39/54/08/721395408.db2.gz PPSZIVQFTGBSGM-AUSIDOKSSA-N 1 0 395.551 2.704 20 0 GFADRO Cc1nc(N2CC[C@@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)nc(C)c1Cl ZINC001164891996 721419778 /nfs/dbraw/zinc/41/97/78/721419778.db2.gz XVGOKCWXQAVXAW-FXAWDEMLSA-N 1 0 393.963 2.512 20 0 GFADRO Cc1nnc(N2CC[C@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)c2ccccc12 ZINC001164890311 721432498 /nfs/dbraw/zinc/43/24/98/721432498.db2.gz DJUSUYWCAYBQIB-XXBNENTESA-N 1 0 395.551 2.704 20 0 GFADRO Cc1cc(N2CCCC2)nc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)n1 ZINC001164900478 721508001 /nfs/dbraw/zinc/50/80/01/721508001.db2.gz REXGVWFTCCKXCC-UYAOXDASSA-N 1 0 397.498 2.866 20 0 GFADRO CN(C)c1nc(Cl)cc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)n1 ZINC001164897783 721509429 /nfs/dbraw/zinc/50/94/29/721509429.db2.gz GNHQDIXIISPSBI-ZBFHGGJFSA-N 1 0 391.878 2.677 20 0 GFADRO Fc1cccc(O[C@H]2C[C@H]3CN(c4ncc(OC(F)F)cn4)CC[N@@H+]3C2)c1 ZINC001164905247 721542203 /nfs/dbraw/zinc/54/22/03/721542203.db2.gz HEYRPFGBKODTCK-ZFWWWQNUSA-N 1 0 380.370 2.559 20 0 GFADRO CC(=O)Nc1c(C)ccnc1N1C[C@H]([N@H+](C)Cc2cccnc2)[C@H]2OCCC[C@H]21 ZINC001164798739 721572382 /nfs/dbraw/zinc/57/23/82/721572382.db2.gz CCXTUYOYQAPFSI-DYXWJJEUSA-N 1 0 395.507 2.612 20 0 GFADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2nccc3cc(Cl)ncc32)CC1 ZINC001165010126 721734487 /nfs/dbraw/zinc/73/44/87/721734487.db2.gz BEAFJZPVFWKAFG-UHFFFAOYSA-N 1 0 387.915 2.806 20 0 GFADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2nc3ccccc3nc2Cl)CC1 ZINC001165011953 721735468 /nfs/dbraw/zinc/73/54/68/721735468.db2.gz ZAARKBGENBYLSW-UHFFFAOYSA-N 1 0 387.915 2.806 20 0 GFADRO CSc1nc2ccccc2c(N2CCCC23CC[NH+](CC(=O)N(C)C)CC3)n1 ZINC001165011618 721739425 /nfs/dbraw/zinc/73/94/25/721739425.db2.gz SSVVKKNYABCBOR-UHFFFAOYSA-N 1 0 399.564 2.875 20 0 GFADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2ccc(-c3ccncc3)cn2)CC1 ZINC001165009271 721744174 /nfs/dbraw/zinc/74/41/74/721744174.db2.gz AWRGSPWOMKGFHW-UHFFFAOYSA-N 1 0 379.508 2.667 20 0 GFADRO CN(C)C(=O)c1ccc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)nc1 ZINC001165028916 721808745 /nfs/dbraw/zinc/80/87/45/721808745.db2.gz YCQQWTBOEPNSTE-CEWLAPEOSA-N 1 0 393.535 2.915 20 0 GFADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ncc4c(n3)CCCN4)C[C@@H]21 ZINC001165027096 721811920 /nfs/dbraw/zinc/81/19/20/721811920.db2.gz SFBVCEKTUXSYFV-DJPFJPOOSA-N 1 0 378.524 2.967 20 0 GFADRO CN(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCN2c1nc(-c2cccnc2)nc2ccccc21 ZINC001164932940 721878144 /nfs/dbraw/zinc/87/81/44/721878144.db2.gz KINSTESBYVFXOO-SFTDATJTSA-N 1 0 388.519 2.906 20 0 GFADRO C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2c1cc(SCc2ccccc2)ncn1 ZINC001164935124 721884664 /nfs/dbraw/zinc/88/46/64/721884664.db2.gz WCNNLMPUQIEMHD-RTBURBONSA-N 1 0 383.565 2.984 20 0 GFADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4cc(Cl)nc(N)n4)CC3)C2)cc1 ZINC001164938431 721919711 /nfs/dbraw/zinc/91/97/11/721919711.db2.gz OGJFFZJYLFSNJL-UHFFFAOYSA-N 1 0 387.915 2.892 20 0 GFADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4nccc5c4C(=O)NC5)CC3)C2)cc1 ZINC001164940991 721926765 /nfs/dbraw/zinc/92/67/65/721926765.db2.gz YCORIZQGMOEATI-UHFFFAOYSA-N 1 0 392.503 2.505 20 0 GFADRO CCOC(=O)c1cc(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)ncn1 ZINC001164953040 722015915 /nfs/dbraw/zinc/01/59/15/722015915.db2.gz RESBZXWHSJTGQR-UHFFFAOYSA-N 1 0 381.480 2.541 20 0 GFADRO C[N@H+](Cc1ccc(N2CC[C@@]3(C[C@H]3C(=O)NCc3cccnc3)C2)nc1)C1CC1 ZINC001164959761 722034833 /nfs/dbraw/zinc/03/48/33/722034833.db2.gz RQRUGYAJNLRWBO-NZQKXSOJSA-N 1 0 391.519 2.604 20 0 GFADRO O=C(NC1CCC1)C1C[C@H]2CN(c3cccc(OCC[NH+]4CCCC4)n3)C[C@@H]2C1 ZINC001164977611 722085260 /nfs/dbraw/zinc/08/52/60/722085260.db2.gz XHOHCPJVPNTXDN-OALUTQOASA-N 1 0 398.551 2.687 20 0 GFADRO c1cc2c(ncnc2N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)s1 ZINC001164981334 722099510 /nfs/dbraw/zinc/09/95/10/722099510.db2.gz LBNAOUUWPNVRNW-SJLPKXTDSA-N 1 0 381.505 2.814 20 0 GFADRO Clc1cc(Cl)c(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)nn1 ZINC001164984691 722102635 /nfs/dbraw/zinc/10/26/35/722102635.db2.gz TYZMEFKGFSKBCJ-GOEBONIOSA-N 1 0 394.306 2.906 20 0 GFADRO c1cncc(C[N@@H+]2CCO[C@@H]3CN(c4nccc5ncccc54)CC[C@H]3C2)c1 ZINC001164978243 722104168 /nfs/dbraw/zinc/10/41/68/722104168.db2.gz GIXCDQOYQQKJCH-GHTZIAJQSA-N 1 0 375.476 2.752 20 0 GFADRO Fc1cnc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c(Cl)c1 ZINC001164970886 722110665 /nfs/dbraw/zinc/11/06/65/722110665.db2.gz ALRHELHMYWXWPE-MAUKXSAKSA-N 1 0 376.863 2.996 20 0 GFADRO Cc1nc(Cl)c(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)nc1C ZINC001164981983 722120221 /nfs/dbraw/zinc/12/02/21/722120221.db2.gz VLGYLOHFMVKJQE-ZWKOTPCHSA-N 1 0 387.915 2.869 20 0 GFADRO Fc1cccc2ncnc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)c12 ZINC001164971914 722123009 /nfs/dbraw/zinc/12/30/09/722123009.db2.gz DNFVZZGTFNPKBX-FXAWDEMLSA-N 1 0 393.466 2.891 20 0 GFADRO COc1nc(Cl)nc(N2CCC[C@@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)n1 ZINC001164995562 722196055 /nfs/dbraw/zinc/19/60/55/722196055.db2.gz VLVWIHPVCINWKK-GOSISDBHSA-N 1 0 377.851 2.918 20 0 GFADRO Cc1cc2c(c(N3CCC[C@]4(CC[N@@H+]4Cc4cccc(F)c4)C3)n1)C(=O)NC2=O ZINC001164993756 722206964 /nfs/dbraw/zinc/20/69/64/722206964.db2.gz AOFDUVAIDKGGIB-QFIPXVFZSA-N 1 0 394.450 2.658 20 0 GFADRO CCOC(=O)c1nc(NC2CC[NH+](CCOC)CC2)ccc1Br ZINC000603277754 532087824 /nfs/dbraw/zinc/08/78/24/532087824.db2.gz CUBNGKTXYWKQHK-UHFFFAOYSA-N 1 0 386.290 2.544 20 0 GFADRO CC(C)CCOc1ccc(C(=O)N2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)cc1 ZINC000359941942 212126481 /nfs/dbraw/zinc/12/64/81/212126481.db2.gz PSHZUCAAYIFSJU-FQEVSTJZSA-N 1 0 387.524 2.666 20 0 GFADRO CC(C)(C)Oc1cccc(CCC(=O)NC[C@H]2CCC[C@H]2[NH+]2CCOCC2)n1 ZINC000359877004 212122166 /nfs/dbraw/zinc/12/21/66/212122166.db2.gz VKQOGTUTGMMHMR-IEBWSBKVSA-N 1 0 389.540 2.809 20 0 GFADRO CCn1cc([C@@H]2NC(=O)CC[C@H]2[NH2+][C@H](C)Cn2cc(Br)cn2)cn1 ZINC000328632289 212087408 /nfs/dbraw/zinc/08/74/08/212087408.db2.gz LIFVECVNDNPFHW-XFJVYGCCSA-N 1 0 395.305 2.700 20 0 GFADRO CC[N@@H+]1CCC[C@@H](CN(C)Cc2nnc(C3CCC3)n2C)[C@@H]1c1cnn(C)c1 ZINC000328648073 212089296 /nfs/dbraw/zinc/08/92/96/212089296.db2.gz UJVIYAYPFYEFQZ-FXAWDEMLSA-N 1 0 385.560 2.721 20 0 GFADRO O=C(NCc1cccc(Br)c1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000063797167 136156531 /nfs/dbraw/zinc/15/65/31/136156531.db2.gz CLIPPVOZTDXHMS-UHFFFAOYSA-N 1 0 375.270 2.876 20 0 GFADRO C[NH+](C)[C@@H]1[C@H]2CN(C(=O)c3cc(Br)ccc3Br)C[C@H]21 ZINC000395125436 563531236 /nfs/dbraw/zinc/53/12/36/563531236.db2.gz DCUCOHCYTOOAPT-PJXYFTJBSA-N 1 0 388.103 2.844 20 0 GFADRO CC(=O)Nc1cc(C(=O)NCC2([NH+]3CCSCC3)CCCC2)ccc1F ZINC000053501405 222010685 /nfs/dbraw/zinc/01/06/85/222010685.db2.gz HYWGTXPLVRVUBW-UHFFFAOYSA-N 1 0 379.501 2.876 20 0 GFADRO CC(=O)Nc1ccc(C)c(S(=O)(=O)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)c1 ZINC000053699044 222012389 /nfs/dbraw/zinc/01/23/89/222012389.db2.gz VGGLTHSAGCNPQP-AWEZNQCLSA-N 1 0 381.542 2.742 20 0 GFADRO C[N@H+](CCN1CCOCC1)Cc1ccc(I)c(Cl)c1 ZINC000436145616 563664726 /nfs/dbraw/zinc/66/47/26/563664726.db2.gz VUSDWOZXPMAGHZ-UHFFFAOYSA-N 1 0 394.684 2.709 20 0 GFADRO CC[NH+]1CCC(CCNS(=O)(=O)c2ccc(F)c(Br)c2)CC1 ZINC000439237038 563720763 /nfs/dbraw/zinc/72/07/63/563720763.db2.gz NISKSLYMEDXWNR-UHFFFAOYSA-N 1 0 393.322 2.989 20 0 GFADRO CNC(=O)NC(=O)CC[NH+]1CCC(c2nc3cc(Cl)ccc3s2)CC1 ZINC000025038430 551120292 /nfs/dbraw/zinc/12/02/92/551120292.db2.gz SSJOISJZHVBNCY-UHFFFAOYSA-N 1 0 380.901 2.975 20 0 GFADRO COc1ccc(S(=O)(=O)NCC2([NH+]3CCSCC3)CCCC2)cc1C ZINC000030431714 551127639 /nfs/dbraw/zinc/12/76/39/551127639.db2.gz UCQISIZHOQMIBW-UHFFFAOYSA-N 1 0 384.567 2.644 20 0 GFADRO O=C(NC1CC[NH+](C2CC2)CC1)c1ccc(F)cc1I ZINC000033240940 551133334 /nfs/dbraw/zinc/13/33/34/551133334.db2.gz LNLLINNECWANKM-UHFFFAOYSA-N 1 0 388.224 2.787 20 0 GFADRO CCN1CC[NH+](CCCCNC(=O)Nc2ccccc2Br)CC1 ZINC000043132921 551141079 /nfs/dbraw/zinc/14/10/79/551141079.db2.gz QWTWYTLSJSKAHC-UHFFFAOYSA-N 1 0 383.334 2.988 20 0 GFADRO CC(C)[NH+]1CCC(NC(=O)CCN2C(=S)N=NC2c2cccs2)CC1 ZINC000043935083 551143102 /nfs/dbraw/zinc/14/31/02/551143102.db2.gz WKZZHDGOCCSWOI-UHFFFAOYSA-N 1 0 379.555 2.674 20 0 GFADRO C[NH+]1CCN(c2ccc(NC(=O)c3sccc3Br)cn2)CC1 ZINC000045058714 551145838 /nfs/dbraw/zinc/14/58/38/551145838.db2.gz YSZXGDYPERQRJL-UHFFFAOYSA-N 1 0 381.299 2.910 20 0 GFADRO CS(=O)(=O)NCCC[NH2+]Cc1ccc(-c2ccc(C(F)(F)F)cc2)o1 ZINC000051187379 551162850 /nfs/dbraw/zinc/16/28/50/551162850.db2.gz VOCBZMJJIIUFOP-UHFFFAOYSA-N 1 0 376.400 2.994 20 0 GFADRO C[C@@H](CNC(=O)[C@H]1CCCN1C(=O)c1ccc(Cl)s1)C[NH+]1CCCC1 ZINC000056984653 551178712 /nfs/dbraw/zinc/17/87/12/551178712.db2.gz NHQJMOFKBUOAFQ-UONOGXRCSA-N 1 0 383.945 2.854 20 0 GFADRO C[C@@H]([NH2+][C@H](C)c1cccc(Cl)c1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000057679615 551181369 /nfs/dbraw/zinc/18/13/69/551181369.db2.gz RCYIBMHISXOCJQ-VXGBXAGGSA-N 1 0 381.885 2.665 20 0 GFADRO CCC[NH+]1CCN(C(=O)[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)CC1 ZINC000065040657 551185391 /nfs/dbraw/zinc/18/53/91/551185391.db2.gz XCIYHOSXVOKPDY-CQSZACIVSA-N 1 0 384.307 2.901 20 0 GFADRO CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@H+](Cc2cnc(N(C)C)s2)C1 ZINC000093685061 551195986 /nfs/dbraw/zinc/19/59/86/551195986.db2.gz GUXDAJXGFIXDDR-GFCCVEGCSA-N 1 0 378.464 2.832 20 0 GFADRO C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N(C)CC1CC[NH+](C)CC1 ZINC000103451539 551197945 /nfs/dbraw/zinc/19/79/45/551197945.db2.gz CLXBSFHCQDAEAI-GFCCVEGCSA-N 1 0 386.323 2.912 20 0 GFADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)c2cc(Cl)sc2Cl)CC1 ZINC000103449343 551197988 /nfs/dbraw/zinc/19/79/88/551197988.db2.gz DTBLRWPMGSOSEY-UHFFFAOYSA-N 1 0 378.325 2.681 20 0 GFADRO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)C[N@H+](C[C@H](C)O)C(C)C ZINC000107043893 551201399 /nfs/dbraw/zinc/20/13/99/551201399.db2.gz NCZKCCZUNOSMNJ-JTQLQIEISA-N 1 0 377.268 2.810 20 0 GFADRO COC(=O)[C@H](C)C[N@H+](C)[C@@H](C)C(=O)N(C)Cc1ccc(Br)cc1 ZINC000114062988 551208827 /nfs/dbraw/zinc/20/88/27/551208827.db2.gz IIRYETZFMIOQHO-OLZOCXBDSA-N 1 0 385.302 2.537 20 0 GFADRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)C(=O)Nc2cc(F)ccc2Br)C1 ZINC000120371944 551220498 /nfs/dbraw/zinc/22/04/98/551220498.db2.gz KAFGFGMZVQBETH-RYUDHWBXSA-N 1 0 386.265 2.516 20 0 GFADRO Cc1cc(C(=O)NCC2CC[NH+](CCN(C)C)CC2)ccc1Br ZINC000121083178 551226697 /nfs/dbraw/zinc/22/66/97/551226697.db2.gz YQEYOKNXPLMZBW-UHFFFAOYSA-N 1 0 382.346 2.761 20 0 GFADRO Cc1cccc(NC(=O)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)c1Br ZINC000121141177 551227835 /nfs/dbraw/zinc/22/78/35/551227835.db2.gz AYMXQGDJUCXACH-GFCCVEGCSA-N 1 0 384.318 2.789 20 0 GFADRO COC[C@H]([NH2+]Cc1cc(I)c(OC)c(OC)c1)C1CC1 ZINC000121256459 551230693 /nfs/dbraw/zinc/23/06/93/551230693.db2.gz WFSDZTLATJJSFZ-ZDUSSCGKSA-N 1 0 391.249 2.823 20 0 GFADRO C[N@H+](Cc1ncc(-c2ccc(Cl)cc2)o1)C1CCN(S(C)(=O)=O)CC1 ZINC000121315878 551231619 /nfs/dbraw/zinc/23/16/19/551231619.db2.gz ANWIHVASQNNENL-UHFFFAOYSA-N 1 0 383.901 2.851 20 0 GFADRO C[C@H]([C@H](C)NC(=O)Nc1cc(F)c(Br)cc1F)N1CCOCC1 ZINC000121777437 551242389 /nfs/dbraw/zinc/24/23/89/551242389.db2.gz GVYXCMQECSNTEQ-VHSXEESVSA-N 1 0 392.244 2.958 20 0 GFADRO O=C(C[N@H+]1CCCN(Cc2ccc(F)c(Br)c2)CC1)N1CCCC1 ZINC000121877717 551245052 /nfs/dbraw/zinc/24/50/52/551245052.db2.gz LTPKJHUFDZGQHA-UHFFFAOYSA-N 1 0 398.320 2.718 20 0 GFADRO CC(C)c1cc(Br)ccc1NC(=O)C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000121921377 551292793 /nfs/dbraw/zinc/29/27/93/551292793.db2.gz BCYFXGJAQYMRBJ-ZDUSSCGKSA-N 1 0 382.302 2.721 20 0 GFADRO C[C@H](Cn1cc(Br)cn1)[NH2+][C@H]1CCN(C(=O)C2CCCCC2)C1 ZINC000123850624 551309107 /nfs/dbraw/zinc/30/91/07/551309107.db2.gz BSBMDKYWZCPEBL-CJNGLKHVSA-N 1 0 383.334 2.805 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)c1cnn2cc(Br)cnc12)c1cccs1 ZINC000124378285 551313972 /nfs/dbraw/zinc/31/39/72/551313972.db2.gz ICJKVJIVMRXPAK-GFCCVEGCSA-N 1 0 394.298 2.586 20 0 GFADRO C[NH+](C)CCOc1cc(CNC(=O)Cc2ccccc2Br)ccn1 ZINC000124430529 551314843 /nfs/dbraw/zinc/31/48/43/551314843.db2.gz ROWZMKHMZGDBOU-UHFFFAOYSA-N 1 0 392.297 2.643 20 0 GFADRO [NH3+]C[C@@H]1CCCC[C@H]1NS(=O)(=O)c1cc(Br)ccc1Cl ZINC000124581810 551315614 /nfs/dbraw/zinc/31/56/14/551315614.db2.gz WDBOPPOSGZUORC-JOYOIKCWSA-N 1 0 381.723 2.898 20 0 GFADRO COc1cc(Br)c(S(=O)(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)cc1Cl ZINC000124908454 551319109 /nfs/dbraw/zinc/31/91/09/551319109.db2.gz SLQNNCUFESEZAN-RKDXNWHRSA-N 1 0 397.722 2.659 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(C(F)(F)F)cc1Cl ZINC000126297867 551328240 /nfs/dbraw/zinc/32/82/40/551328240.db2.gz HHCCMIMICGBXGU-NSHDSACASA-N 1 0 377.794 2.898 20 0 GFADRO C[C@H](CCS(C)(=O)=O)[NH2+]C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000127462640 551341027 /nfs/dbraw/zinc/34/10/27/551341027.db2.gz QCNRDORYVFZJMV-CYBMUJFWSA-N 1 0 376.925 2.856 20 0 GFADRO Cc1ccc(Cl)cc1S(=O)(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000127540530 551341952 /nfs/dbraw/zinc/34/19/52/551341952.db2.gz FWXVZCYZNGTMNB-DLBZAZTESA-N 1 0 386.945 2.695 20 0 GFADRO O=C(c1csc(I)c1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000127761172 551344609 /nfs/dbraw/zinc/34/46/09/551344609.db2.gz GZHHZCRAZXXFFK-NSHDSACASA-N 1 0 390.290 2.911 20 0 GFADRO CCC[N@H+](C[C@H](O)CO[C@@H](C)c1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000128077516 551346028 /nfs/dbraw/zinc/34/60/28/551346028.db2.gz LXGCBLQHJPYYCG-QGTPRVQTSA-N 1 0 389.945 2.678 20 0 GFADRO O=C(NC1CC[NH+](CCc2ccncc2)CC1)c1cccnc1Br ZINC000128107779 551346687 /nfs/dbraw/zinc/34/66/87/551346687.db2.gz AAGCZEHTQCBEMM-UHFFFAOYSA-N 1 0 389.297 2.676 20 0 GFADRO C[N@H+](CC(=O)N1CCO[C@@H](c2cccc(Br)c2)C1)[C@@H]1CCSC1 ZINC000128263408 551348046 /nfs/dbraw/zinc/34/80/46/551348046.db2.gz GKGGJFJLAVUFFD-HZPDHXFCSA-N 1 0 399.354 2.786 20 0 GFADRO O=C(C[C@H]1CC[NH2+]C1)N1CCC(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000128922094 551353912 /nfs/dbraw/zinc/35/39/12/551353912.db2.gz LDTUBAPVQFTJIA-CYBMUJFWSA-N 1 0 394.313 2.626 20 0 GFADRO C[NH+](C)[C@H]1CCCN(C(=O)c2cn(-c3ccc(Br)cc3)cn2)C1 ZINC000128962300 551354311 /nfs/dbraw/zinc/35/43/11/551354311.db2.gz KAWNWPBGIOYYNU-HNNXBMFYSA-N 1 0 377.286 2.801 20 0 GFADRO Cc1cc(C[NH2+]C2CCN(S(=O)(=O)C3CC3)CC2)sc1Br ZINC000129231662 551355215 /nfs/dbraw/zinc/35/52/15/551355215.db2.gz JMWNJTCSQGQUOT-UHFFFAOYSA-N 1 0 393.372 2.865 20 0 GFADRO CC[C@@H]([NH3+])C(=O)N1CCC[C@H]1c1nc(Cc2ccc(Br)cc2)no1 ZINC000129842932 551360195 /nfs/dbraw/zinc/36/01/95/551360195.db2.gz NSSKVBFSEXFYGO-KGLIPLIRSA-N 1 0 393.285 2.824 20 0 GFADRO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)c1c(F)cccc1I ZINC000129997648 551360536 /nfs/dbraw/zinc/36/05/36/551360536.db2.gz LHWPWXFLVPMHFD-SNVBAGLBSA-N 1 0 388.224 2.644 20 0 GFADRO CC(C)(O)C[NH+]1CCN(Cc2nc(-c3ccc(Br)cc3)c[nH]2)CC1 ZINC000129991046 551360955 /nfs/dbraw/zinc/36/09/55/551360955.db2.gz LFDOFYUGMPHDIV-UHFFFAOYSA-N 1 0 393.329 2.728 20 0 GFADRO COCC[C@@H](Cc1cccc(Br)c1)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000130677892 551367779 /nfs/dbraw/zinc/36/77/79/551367779.db2.gz MZWTZCMAOLZGCR-RDJZCZTQSA-N 1 0 383.330 2.903 20 0 GFADRO O=C(NC[C@@H]1CCCC[NH2+]1)c1nn(-c2ccc(F)cc2)cc1Br ZINC000130680360 551368086 /nfs/dbraw/zinc/36/80/86/551368086.db2.gz ODNBQLAZVIVHHT-LBPRGKRZSA-N 1 0 381.249 2.646 20 0 GFADRO Cc1cc(C(=O)NC[C@H]2CCCC[NH2+]2)nn1-c1ccc(Br)cc1 ZINC000130684073 551368444 /nfs/dbraw/zinc/36/84/44/551368444.db2.gz NGYLTWDPRSUZSP-CQSZACIVSA-N 1 0 377.286 2.815 20 0 GFADRO O=C(CCC[S@](=O)c1ccc(Br)cc1)NC[C@H]1CCCC[NH2+]1 ZINC000130738910 551368783 /nfs/dbraw/zinc/36/87/83/551368783.db2.gz WNANXMVAGMMAKZ-JLCFBVMHSA-N 1 0 387.343 2.595 20 0 GFADRO Cc1c(Br)cccc1C[NH+]1CCC(C(=O)N2CCOCC2)CC1 ZINC000131107484 551372381 /nfs/dbraw/zinc/37/23/81/551372381.db2.gz OOCBSWLMFOQYII-UHFFFAOYSA-N 1 0 381.314 2.828 20 0 GFADRO O=S(=O)(NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1c(F)cccc1Cl ZINC000133102629 551381266 /nfs/dbraw/zinc/38/12/66/551381266.db2.gz FTSFNKRDZLUMLZ-JKSUJKDBSA-N 1 0 390.908 2.525 20 0 GFADRO O=C(c1ccc(F)c(I)c1)N1CC[NH+](CC2CC2)CC1 ZINC000133459296 551383459 /nfs/dbraw/zinc/38/34/59/551383459.db2.gz GWOHJBBXYHOZMI-UHFFFAOYSA-N 1 0 388.224 2.598 20 0 GFADRO CC[C@]1(C(=O)N2CCN(C(=O)c3cccc(Cl)c3Cl)CC2)CCC[NH2+]1 ZINC000134406292 551385359 /nfs/dbraw/zinc/38/53/59/551385359.db2.gz MPVPIVGGNFHBAH-GOSISDBHSA-N 1 0 384.307 2.810 20 0 GFADRO CC[C@@]1(C(=O)NCCC(=O)Nc2ccc(Br)cc2C)CCC[NH2+]1 ZINC000134459220 551385967 /nfs/dbraw/zinc/38/59/67/551385967.db2.gz PNSMLUXKGGEKEG-KRWDZBQOSA-N 1 0 382.302 2.735 20 0 GFADRO CC[C@@]1(C(=O)Nc2ncn(Cc3cccc(Br)c3)n2)CCC[NH2+]1 ZINC000134456956 551386001 /nfs/dbraw/zinc/38/60/01/551386001.db2.gz NPFICHZTXUKSJE-INIZCTEOSA-N 1 0 378.274 2.560 20 0 GFADRO O=C([C@@H]1COc2ccc(Br)cc21)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000135481708 551388038 /nfs/dbraw/zinc/38/80/38/551388038.db2.gz ATDVIVGRIHXFOM-CZUORRHYSA-N 1 0 379.298 2.869 20 0 GFADRO COCC[NH+]1CCC(NC(=O)N(C)Cc2ccc(Br)cc2)CC1 ZINC000140200109 551393512 /nfs/dbraw/zinc/39/35/12/551393512.db2.gz VBCPGAVWCIXUCK-UHFFFAOYSA-N 1 0 384.318 2.701 20 0 GFADRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(Cl)c(NS(C)(=O)=O)c2)C1 ZINC000141534258 551394109 /nfs/dbraw/zinc/39/41/09/551394109.db2.gz KYKCOPQIALXBOB-ZDUSSCGKSA-N 1 0 387.933 2.562 20 0 GFADRO COCC[NH+]1CCC(NC(=O)[C@@H](C)Oc2ccc(Cl)c(Cl)c2)CC1 ZINC000141367080 551394152 /nfs/dbraw/zinc/39/41/52/551394152.db2.gz NJVLKRHADRUTAE-GFCCVEGCSA-N 1 0 375.296 2.988 20 0 GFADRO Cc1cc(S(=O)(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)sc1Br ZINC000150054318 551399588 /nfs/dbraw/zinc/39/95/88/551399588.db2.gz DNUHCFDUVBAMPK-GHMZBOCLSA-N 1 0 379.345 2.724 20 0 GFADRO C[NH+](C)C1(CNC(=O)Cc2c[nH]c3cc(Br)ccc23)CCOCC1 ZINC000151011968 551405757 /nfs/dbraw/zinc/40/57/57/551405757.db2.gz NCZSRZGQKNLMIV-UHFFFAOYSA-N 1 0 394.313 2.700 20 0 GFADRO O=C(Cc1cc(Br)ccc1F)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000151441221 551413778 /nfs/dbraw/zinc/41/37/78/551413778.db2.gz BJPULQDXVPMXGB-ZDUSSCGKSA-N 1 0 399.304 2.748 20 0 GFADRO CC[NH+](CC)[C@H](CNC(=O)C(=O)Nc1ccc(Br)nc1)CC(C)C ZINC000151473139 551414397 /nfs/dbraw/zinc/41/43/97/551414397.db2.gz IAFDXFQJPFJWQS-AWEZNQCLSA-N 1 0 399.333 2.655 20 0 GFADRO CC(C)N(CC[NH+](C)C)C(=O)c1ccc(F)c(I)c1 ZINC000151820387 551421999 /nfs/dbraw/zinc/42/19/99/551421999.db2.gz FRZHIFLMNJRWOG-UHFFFAOYSA-N 1 0 378.229 2.843 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CN(CCO)Cc1cccnc1 ZINC000152312510 551430404 /nfs/dbraw/zinc/43/04/04/551430404.db2.gz CRUAHEBWIPROKX-UHFFFAOYSA-N 1 0 378.270 2.586 20 0 GFADRO C[NH+](C)C1CCN(CCNC(=O)c2ccc(Cl)cc2Br)CC1 ZINC000152457497 551433707 /nfs/dbraw/zinc/43/37/07/551433707.db2.gz BCFLUFQGJJOXSX-UHFFFAOYSA-N 1 0 388.737 2.858 20 0 GFADRO O=C(NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1ccc(Br)cc1O ZINC000152842566 551441000 /nfs/dbraw/zinc/44/10/00/551441000.db2.gz XAEUUDQGSSDFTL-JKSUJKDBSA-N 1 0 397.313 2.652 20 0 GFADRO Cc1ccc(Br)cc1S(=O)(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000152904635 551442240 /nfs/dbraw/zinc/44/22/40/551442240.db2.gz CJNBQZQLCPYYNS-ZFWWWQNUSA-N 1 0 387.343 2.862 20 0 GFADRO CC[C@@H]([NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1)c1ccc(Br)cc1 ZINC000152894513 551442416 /nfs/dbraw/zinc/44/24/16/551442416.db2.gz JDDUEBUTALDALO-SWLSCSKDSA-N 1 0 375.332 2.771 20 0 GFADRO C[C@@H](C[NH2+][C@@H](C)CC(=O)Nc1ccc(Br)cc1)CN1CCOCC1 ZINC000153308289 551449829 /nfs/dbraw/zinc/44/98/29/551449829.db2.gz RXSANJROWLXRKP-GJZGRUSLSA-N 1 0 398.345 2.724 20 0 GFADRO O=C(Cc1cccc(I)c1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000153388578 551451601 /nfs/dbraw/zinc/45/16/01/551451601.db2.gz LRNLAHPVQOSGSP-HNNXBMFYSA-N 1 0 384.261 2.530 20 0 GFADRO CN(C(=O)c1cnn(-c2cccc(Br)c2)c1)[C@H]1CCC[N@H+](C)C1 ZINC000153484599 551453696 /nfs/dbraw/zinc/45/36/96/551453696.db2.gz PRZQIYHWEJKGFE-INIZCTEOSA-N 1 0 377.286 2.801 20 0 GFADRO Cc1ccc(CNC(=O)C[N@@H+](C)[C@@H]2CCSC2)c(OCC(F)(F)F)c1 ZINC000153523543 551454868 /nfs/dbraw/zinc/45/48/68/551454868.db2.gz KABGOADNMQZCDX-CQSZACIVSA-N 1 0 376.444 2.990 20 0 GFADRO COC(=O)c1cc(Br)ccc1NC(=O)N(C)CC[NH+]1CCCC1 ZINC000153557083 551455313 /nfs/dbraw/zinc/45/53/13/551455313.db2.gz NLGSKIDSCKOOIQ-UHFFFAOYSA-N 1 0 384.274 2.795 20 0 GFADRO COc1ccc([C@H](C)[NH2+]C[C@@H](O)COC[C@@H]2CCCO2)cc1Br ZINC000153781405 551460718 /nfs/dbraw/zinc/46/07/18/551460718.db2.gz QGFXWVRRMVYXEX-CFVMTHIKSA-N 1 0 388.302 2.665 20 0 GFADRO C[C@@H]1C[NH+](CCCNC(=O)Cc2ccc(Br)c(F)c2)C[C@@H](C)O1 ZINC000153805462 551461190 /nfs/dbraw/zinc/46/11/90/551461190.db2.gz XJULFBUUOIORMA-CHWSQXEVSA-N 1 0 387.293 2.746 20 0 GFADRO COc1cc(C(=O)N2CC[N@H+](C)C[C@H]2C(C)C)cc(OC)c1Br ZINC000153888274 551462582 /nfs/dbraw/zinc/46/25/82/551462582.db2.gz GTVAFPMFTOGNOC-ZDUSSCGKSA-N 1 0 385.302 2.879 20 0 GFADRO Brc1cc2c(c(CN3CC[C@@H](C[NH+]4CCOCC4)C3)c1)OCC2 ZINC000153958455 551464267 /nfs/dbraw/zinc/46/42/67/551464267.db2.gz IFUXVMPMUASJDJ-AWEZNQCLSA-N 1 0 381.314 2.538 20 0 GFADRO COc1cc(C[NH2+][C@@H](C)CCCO)cc(I)c1OC ZINC000154102064 551467544 /nfs/dbraw/zinc/46/75/44/551467544.db2.gz JFWLIPLTFHEKNS-JTQLQIEISA-N 1 0 379.238 2.559 20 0 GFADRO NC(=O)C[C@@H]1CCC[N@H+](Cc2ccnc(-c3ccc(Br)cc3)n2)C1 ZINC000154394845 551474207 /nfs/dbraw/zinc/47/42/07/551474207.db2.gz GHPVQHNLZOGPKT-ZDUSSCGKSA-N 1 0 389.297 2.994 20 0 GFADRO O=C(c1cc(I)c[nH]1)N1CC[NH+](C2CCCCC2)CC1 ZINC000154432360 551475128 /nfs/dbraw/zinc/47/51/28/551475128.db2.gz HRAAORHTJRAZAJ-UHFFFAOYSA-N 1 0 387.265 2.710 20 0 GFADRO CC[N@H+](CCNC(=O)c1c(F)cccc1I)C1CC1 ZINC000154498914 551476703 /nfs/dbraw/zinc/47/67/03/551476703.db2.gz IULJEURQCOXUOV-UHFFFAOYSA-N 1 0 376.213 2.644 20 0 GFADRO CCC[NH+]1CCC(NS(=O)(=O)c2ccc(Br)cc2F)CC1 ZINC000154520301 551476989 /nfs/dbraw/zinc/47/69/89/551476989.db2.gz YMLWYDABIHTLAE-UHFFFAOYSA-N 1 0 379.295 2.741 20 0 GFADRO C[NH+]1CCC(Oc2ccc(NC(=O)c3cccnc3Br)cn2)CC1 ZINC000154903851 551485115 /nfs/dbraw/zinc/48/51/15/551485115.db2.gz JGLYVMGHBGZERW-UHFFFAOYSA-N 1 0 391.269 2.964 20 0 GFADRO OCCCOC1CC[NH+](C[C@@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000154920807 551485514 /nfs/dbraw/zinc/48/55/14/551485514.db2.gz GOJWJFWTJWNPHW-CQSZACIVSA-N 1 0 378.296 2.597 20 0 GFADRO CC(C)(C)[C@H]([NH3+])C(=O)NCC1(c2ccc(Br)cc2)CCOCC1 ZINC000155147200 551492702 /nfs/dbraw/zinc/49/27/02/551492702.db2.gz VNEDUSBPVDJKFH-OAHLLOKOSA-N 1 0 383.330 2.987 20 0 GFADRO CCN(CC[NH2+][C@H](C)c1ccc(S(=O)(=O)C(F)F)c(OC)c1)C1CC1 ZINC000155861301 551509809 /nfs/dbraw/zinc/50/98/09/551509809.db2.gz RGSCZYNNSITSQM-GFCCVEGCSA-N 1 0 376.469 2.826 20 0 GFADRO CN(Cc1ccccc1Br)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000156244316 551518153 /nfs/dbraw/zinc/51/81/53/551518153.db2.gz UWXYIFZPAUTDRG-UHFFFAOYSA-N 1 0 380.290 2.871 20 0 GFADRO O=C(Cc1cccc(I)c1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000156453674 551522702 /nfs/dbraw/zinc/52/27/02/551522702.db2.gz NWTZTSWAJPMINF-MRXNPFEDSA-N 1 0 398.288 2.921 20 0 GFADRO CC[NH+](CC)C[C@H]1CCN(S(=O)(=O)c2cc(F)ccc2Br)C1 ZINC000156463164 551523352 /nfs/dbraw/zinc/52/33/52/551523352.db2.gz MSFSZIOZZXIMIE-GFCCVEGCSA-N 1 0 393.322 2.941 20 0 GFADRO Cc1cccc(S(=O)(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)c1Br ZINC000156522597 551523919 /nfs/dbraw/zinc/52/39/19/551523919.db2.gz LNVQWEDIZBPVHU-STQMWFEESA-N 1 0 375.332 2.909 20 0 GFADRO C[NH+](C)[C@H]1CCC[C@@H](NS(=O)(=O)c2cc(F)ccc2Br)C1 ZINC000156522339 551523974 /nfs/dbraw/zinc/52/39/74/551523974.db2.gz QZRIURUXRHEZLE-NEPJUHHUSA-N 1 0 379.295 2.739 20 0 GFADRO CCC[C@@H]1CN(C(=O)Nc2nnc(C(F)(F)F)s2)CC[N@@H+]1CCOC ZINC000157062024 551532755 /nfs/dbraw/zinc/53/27/55/551532755.db2.gz SGGMBBJVMOJQNW-SNVBAGLBSA-N 1 0 381.424 2.522 20 0 GFADRO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NCc1ccc(Br)s1 ZINC000157232043 551535635 /nfs/dbraw/zinc/53/56/35/551535635.db2.gz QYMGIWJDQARJSM-AWEZNQCLSA-N 1 0 375.332 2.920 20 0 GFADRO COC(=O)c1sccc1S(=O)(=O)N(CC[NH+](C)C)CC1CCCCC1 ZINC000157798219 551542921 /nfs/dbraw/zinc/54/29/21/551542921.db2.gz OGYHBIQHZLYQEU-UHFFFAOYSA-N 1 0 388.555 2.667 20 0 GFADRO CC(C)[C@H]([NH3+])C(=O)Nc1ccc(Br)c(I)c1 ZINC000158187446 551547836 /nfs/dbraw/zinc/54/78/36/551547836.db2.gz ZTAWTJYESWVEGX-JTQLQIEISA-N 1 0 397.054 2.976 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)N[C@@](C)(C[NH3+])C(C)C ZINC000158172622 551548078 /nfs/dbraw/zinc/54/80/78/551548078.db2.gz AKOSCTRRASNYHC-KDOFPFPSSA-N 1 0 386.583 2.841 20 0 GFADRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(S(=O)(=O)c2ccccc2)s1 ZINC000158376758 551550998 /nfs/dbraw/zinc/55/09/98/551550998.db2.gz ZICOLPJBHJLMSC-ZFWWWQNUSA-N 1 0 378.519 2.828 20 0 GFADRO Cc1cc(S(=O)(=O)N2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)c(C)s1 ZINC000158827367 551557540 /nfs/dbraw/zinc/55/75/40/551557540.db2.gz WMFHMZASTCQILA-GJZGRUSLSA-N 1 0 385.599 2.544 20 0 GFADRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)c1csc(S(C)(=O)=O)c1 ZINC000158871932 551557811 /nfs/dbraw/zinc/55/78/11/551557811.db2.gz DEHXNERXOOMVRZ-UHFFFAOYSA-N 1 0 380.535 2.922 20 0 GFADRO Cc1n[nH]c(C)c1S(=O)(=O)N1CCC([NH2+]CCCSCC(C)C)CC1 ZINC000159172500 551561868 /nfs/dbraw/zinc/56/18/68/551561868.db2.gz JZSHMYQWDVMTBL-UHFFFAOYSA-N 1 0 388.603 2.549 20 0 GFADRO NC(=O)[C@H]([NH2+]CCc1ccc(-n2cccn2)cc1)c1cccc(Br)c1 ZINC000161868864 551599520 /nfs/dbraw/zinc/59/95/20/551599520.db2.gz HNSGXZHZLVWEGH-GOSISDBHSA-N 1 0 399.292 2.994 20 0 GFADRO Cc1c(C(=O)N[C@H]2CCC[C@H]([NH3+])C2)cnn1-c1cccc(Br)c1 ZINC000162300049 551606755 /nfs/dbraw/zinc/60/67/55/551606755.db2.gz BIYUNXNJSNTTQN-KBPBESRZSA-N 1 0 377.286 2.943 20 0 GFADRO COc1ccc(Br)cc1C(=O)CCC(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000162436528 551608347 /nfs/dbraw/zinc/60/83/47/551608347.db2.gz GQSGRTXPHKASOH-STQMWFEESA-N 1 0 383.286 2.807 20 0 GFADRO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)C[NH2+][C@@H](C)[C@H]1CCOC1 ZINC000162808719 551613077 /nfs/dbraw/zinc/61/30/77/551613077.db2.gz IOQWYKBUWXTFDG-UWVGGRQHSA-N 1 0 375.252 2.733 20 0 GFADRO CC[S@@](=O)[C@@H]1CCC[C@H]([NH2+][C@@H](C)c2ccc(S(C)(=O)=O)c(F)c2)C1 ZINC000162913465 551614299 /nfs/dbraw/zinc/61/42/99/551614299.db2.gz IEWSNMARFOIDHW-KELBENMUSA-N 1 0 375.531 2.960 20 0 GFADRO NC(=O)[C@H](c1cccc(Br)c1)N1CCC([NH2+]C2CCCC2)CC1 ZINC000163028475 551615095 /nfs/dbraw/zinc/61/50/95/551615095.db2.gz HPFZQPRHICJWAD-KRWDZBQOSA-N 1 0 380.330 2.972 20 0 GFADRO C[C@@H]([NH2+]C[C@@H]1CCN(CC(F)(F)F)C1)c1ccc(NS(C)(=O)=O)cc1 ZINC000163139514 551616711 /nfs/dbraw/zinc/61/67/11/551616711.db2.gz MJENWWNDBJSEOB-OLZOCXBDSA-N 1 0 379.448 2.593 20 0 GFADRO COCCN1CCC[C@@H]1C[NH2+][C@H](C)CC(=O)Nc1ccc(Br)cc1 ZINC000163426285 551619576 /nfs/dbraw/zinc/61/95/76/551619576.db2.gz OAJBGIKLOMYRBX-RHSMWYFYSA-N 1 0 398.345 2.867 20 0 GFADRO COCC[N@H+](C)CCCC1CCN(S(=O)(=O)c2sccc2OC)CC1 ZINC000166052098 551630845 /nfs/dbraw/zinc/63/08/45/551630845.db2.gz ZOOUSOGIUGXNLO-UHFFFAOYSA-N 1 0 390.571 2.516 20 0 GFADRO O=S(=O)(N1CCC([NH2+][C@@H]2CCCOc3ccccc32)CC1)C(F)(F)F ZINC000168087075 551634203 /nfs/dbraw/zinc/63/42/03/551634203.db2.gz WKEGCDHWTWARRX-CQSZACIVSA-N 1 0 378.416 2.804 20 0 GFADRO CCN1CC[NH+](CCCCNC(=O)c2ccc(C)cc2Br)CC1 ZINC000168861201 551634537 /nfs/dbraw/zinc/63/45/37/551634537.db2.gz CFTXIXWKHRGVBC-UHFFFAOYSA-N 1 0 382.346 2.905 20 0 GFADRO COC(=O)CSCCC(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000170694360 551637720 /nfs/dbraw/zinc/63/77/20/551637720.db2.gz XFJJREVXKXOMJP-OAHLLOKOSA-N 1 0 384.567 2.934 20 0 GFADRO C[C@H](CNC(=O)[C@H](C)Oc1cc(Cl)cc(Cl)c1)C[NH+]1CCN(C)CC1 ZINC000170738911 551638582 /nfs/dbraw/zinc/63/85/82/551638582.db2.gz MUFVJKSTCMDYLF-KGLIPLIRSA-N 1 0 388.339 2.760 20 0 GFADRO C[NH+](C)[C@H]1CCN(C(=O)NC[C@@H]2CCN(c3ccc(Br)cc3)C2)C1 ZINC000170832860 551640943 /nfs/dbraw/zinc/64/09/43/551640943.db2.gz MOVADAFNMGFEKY-YOEHRIQHSA-N 1 0 395.345 2.621 20 0 GFADRO C[NH+](C)[C@@H]1CCN(C(=O)CCc2nc(-c3cc(Br)cs3)no2)C1 ZINC000170855752 551641516 /nfs/dbraw/zinc/64/15/16/551641516.db2.gz GUEFFIDMVWUGJE-LLVKDONJSA-N 1 0 399.314 2.656 20 0 GFADRO O=C1OCCN1CCC[NH2+]Cc1nc(-c2cccc(Br)c2)c[nH]1 ZINC000171785548 551663888 /nfs/dbraw/zinc/66/38/88/551663888.db2.gz LQCROISJTDIIPX-UHFFFAOYSA-N 1 0 379.258 2.771 20 0 GFADRO C[C@H](CN1CCCC1=O)[NH2+]Cc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000171840322 551665197 /nfs/dbraw/zinc/66/51/97/551665197.db2.gz DROHQLRDFDBTKR-GFCCVEGCSA-N 1 0 377.286 2.940 20 0 GFADRO CCOc1c(Br)cc(C[NH2+]C[C@@](C)(O)CCOC)cc1OC ZINC000172069102 551670010 /nfs/dbraw/zinc/67/00/10/551670010.db2.gz GPMCVTIPSJWVEN-INIZCTEOSA-N 1 0 376.291 2.734 20 0 GFADRO O=C(NCC[NH+]1CCCC1)c1nn(-c2ccc(F)cc2)cc1Br ZINC000172100324 551670607 /nfs/dbraw/zinc/67/06/07/551670607.db2.gz VNJIENRTWBIAAD-UHFFFAOYSA-N 1 0 381.249 2.600 20 0 GFADRO O=C(c1cc2c(c(Br)c1)OCO2)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000172591342 551682212 /nfs/dbraw/zinc/68/22/12/551682212.db2.gz VWARBYKVXNISBX-LBPRGKRZSA-N 1 0 381.270 2.736 20 0 GFADRO CS(=O)(=O)Nc1ccc(NC(=O)NCCC[NH+]2CCCCC2)cc1Cl ZINC000172581313 551682425 /nfs/dbraw/zinc/68/24/25/551682425.db2.gz BTUFTBDIKATMRI-UHFFFAOYSA-N 1 0 388.921 2.709 20 0 GFADRO CC(C)[NH+]1CCC(C(=O)N2CCN(c3ccc(Br)cn3)CC2)CC1 ZINC000172763406 551686654 /nfs/dbraw/zinc/68/66/54/551686654.db2.gz QBVMNGNMNNOESQ-UHFFFAOYSA-N 1 0 395.345 2.613 20 0 GFADRO Cc1cc(F)c(NC(=O)N[C@@H](C[NH3+])C2CC2)c(I)c1 ZINC000415384372 563772045 /nfs/dbraw/zinc/77/20/45/563772045.db2.gz CUJXXPCWMBRWIH-NSHDSACASA-N 1 0 377.201 2.598 20 0 GFADRO CO[C@@H]1CCN(C(=O)Nc2c(F)cc(F)cc2Br)[C@H](C[NH3+])C1 ZINC000415563246 563784644 /nfs/dbraw/zinc/78/46/44/563784644.db2.gz YBWITYNEILZVPI-VHSXEESVSA-N 1 0 378.217 2.697 20 0 GFADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)/C=C/c3cc(Br)cs3)C2)CC1 ZINC000173109726 552078134 /nfs/dbraw/zinc/07/81/34/552078134.db2.gz IZDXQQWPZMZESG-NHZBNJEXSA-N 1 0 398.370 2.762 20 0 GFADRO O=C(CC[NH+]1CCN(Cc2ccon2)CC1)Nc1cccc(Br)c1 ZINC000173628817 552089471 /nfs/dbraw/zinc/08/94/71/552089471.db2.gz XGKMFPMXQJNGGU-UHFFFAOYSA-N 1 0 393.285 2.584 20 0 GFADRO CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2ccccc2Br)C1 ZINC000173645278 552089810 /nfs/dbraw/zinc/08/98/10/552089810.db2.gz WZQBQLSYTVELPL-CYBMUJFWSA-N 1 0 382.302 2.578 20 0 GFADRO C[C@H](NC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1)c1cc(F)c(Cl)cc1Cl ZINC000173656328 552090443 /nfs/dbraw/zinc/09/04/43/552090443.db2.gz RHKSUCKMWQDDOG-QWRGUYRKSA-N 1 0 390.286 2.720 20 0 GFADRO COC(=O)c1ccc(S(=O)(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)c(Cl)c1 ZINC000173671759 552090834 /nfs/dbraw/zinc/09/08/34/552090834.db2.gz GWIGQYRPPWZIRY-AWEZNQCLSA-N 1 0 388.917 2.622 20 0 GFADRO CN(CC[C@H]1CCCC[N@@H+]1C)S(=O)(=O)c1ccccc1Br ZINC000173669046 552090857 /nfs/dbraw/zinc/09/08/57/552090857.db2.gz DZKHZDGNIHOADP-CYBMUJFWSA-N 1 0 375.332 2.944 20 0 GFADRO O=C(CC[N@@H+]1CCC[C@H]1CN1CCOCC1)Nc1ccc(Br)cc1 ZINC000174026290 552096974 /nfs/dbraw/zinc/09/69/74/552096974.db2.gz SBXHBQDVOQLYKH-KRWDZBQOSA-N 1 0 396.329 2.574 20 0 GFADRO CC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2ccc(C)cc2Br)C1 ZINC000174024085 552096999 /nfs/dbraw/zinc/09/69/99/552096999.db2.gz VXAZLGGQMGZANV-ZDUSSCGKSA-N 1 0 375.332 2.720 20 0 GFADRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)NCc1sccc1Br ZINC000174446012 552104090 /nfs/dbraw/zinc/10/40/90/552104090.db2.gz RXJBMKJFMVBTCL-LBPRGKRZSA-N 1 0 390.347 2.763 20 0 GFADRO CC(C)OC[C@H](O)C[NH+]1CCN([C@@H](C)c2ccc(Br)cc2)CC1 ZINC000174793666 552110245 /nfs/dbraw/zinc/11/02/45/552110245.db2.gz FPHKQMFHLCFKOU-MAUKXSAKSA-N 1 0 385.346 2.914 20 0 GFADRO O[C@H](COc1ccc(Cl)cc1Cl)CN1CC[NH+](C2CCOCC2)CC1 ZINC000175486800 552122918 /nfs/dbraw/zinc/12/29/18/552122918.db2.gz QKYKEOYSYZRFOX-INIZCTEOSA-N 1 0 389.323 2.530 20 0 GFADRO O=C(Nc1cc(F)ccc1Br)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000176972282 552148343 /nfs/dbraw/zinc/14/83/43/552148343.db2.gz KQAOARLPRCIWTI-UHFFFAOYSA-N 1 0 398.276 2.517 20 0 GFADRO C[C@@H]([N@H+](C)CC(=O)NCC(=O)Nc1ccccc1Br)C1(C)CC1 ZINC000177215097 552151633 /nfs/dbraw/zinc/15/16/33/552151633.db2.gz MWQUKRGTZMNLJM-GFCCVEGCSA-N 1 0 382.302 2.624 20 0 GFADRO CCN1CC[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H](O)COc1ccc(Br)cc1 ZINC000177317872 552152820 /nfs/dbraw/zinc/15/28/20/552152820.db2.gz UDNLWCFJLLKDLQ-IKGGRYGDSA-N 1 0 383.330 2.747 20 0 GFADRO O=C(NC1CC[NH+](C2CCCC2)CC1)c1sccc1S(=O)(=O)C(F)F ZINC000177451425 552154207 /nfs/dbraw/zinc/15/42/07/552154207.db2.gz RLNWLUPJKOPEGE-UHFFFAOYSA-N 1 0 392.493 2.881 20 0 GFADRO C[C@H]1CCC[N@H+](CCCCNC(=O)Nc2cc(Br)cn(C)c2=O)C1 ZINC000177973267 552161727 /nfs/dbraw/zinc/16/17/27/552161727.db2.gz WQBTUMOPCGWHGP-ZDUSSCGKSA-N 1 0 399.333 2.781 20 0 GFADRO CC(C)[NH+](CCCNC(=O)Nc1cc(Br)cn(C)c1=O)C(C)C ZINC000177969264 552161854 /nfs/dbraw/zinc/16/18/54/552161854.db2.gz PHVPIIZDVIXNBY-UHFFFAOYSA-N 1 0 387.322 2.778 20 0 GFADRO C[C@@H](C(=O)Nc1cccc(Cl)c1Cl)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000178832099 552176470 /nfs/dbraw/zinc/17/64/70/552176470.db2.gz BATGYMXHRWMJJB-UONOGXRCSA-N 1 0 386.323 2.975 20 0 GFADRO C[C@@H]([NH3+])C1CCN(S(=O)(=O)c2cc(Br)ccc2Cl)CC1 ZINC000178927130 552179679 /nfs/dbraw/zinc/17/96/79/552179679.db2.gz GHMIZCFGOTYILZ-SECBINFHSA-N 1 0 381.723 2.850 20 0 GFADRO CCCN(C(=O)c1cnn(-c2ccc(Br)cc2)c1)[C@@H]1CC[NH2+]C1 ZINC000178925931 552179781 /nfs/dbraw/zinc/17/97/81/552179781.db2.gz KFDMMVJWGWRLKE-MRXNPFEDSA-N 1 0 377.286 2.849 20 0 GFADRO CCCN([C@@H]1CC[NH2+]C1)S(=O)(=O)c1cc(Br)ccc1Cl ZINC000178934475 552179875 /nfs/dbraw/zinc/17/98/75/552179875.db2.gz XKTRUGGKNFFNPE-LLVKDONJSA-N 1 0 381.723 2.865 20 0 GFADRO Cc1ccc(-n2nc(Br)cc2C(=O)NCC[C@H]2CC[NH2+]C2)cc1 ZINC000178946618 552180085 /nfs/dbraw/zinc/18/00/85/552180085.db2.gz SHGLYNABPIYDSB-CYBMUJFWSA-N 1 0 377.286 2.673 20 0 GFADRO O[C@]1(C[NH2+]Cc2cc(Br)ccc2OCc2ccccn2)CCOC1 ZINC000179020704 552182497 /nfs/dbraw/zinc/18/24/97/552182497.db2.gz JHJBGPRLBATCKX-SFHVURJKSA-N 1 0 393.281 2.664 20 0 GFADRO Cc1ccc(C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)c(Br)c1 ZINC000179076132 552183769 /nfs/dbraw/zinc/18/37/69/552183769.db2.gz AMYYLMSJXZBXRW-HNNXBMFYSA-N 1 0 381.314 2.942 20 0 GFADRO CN(C(=O)Cc1csc(-c2cc(Br)cs2)n1)[C@@H]1CC[NH2+]C1 ZINC000179096318 552184413 /nfs/dbraw/zinc/18/44/13/552184413.db2.gz RIVHRNZNNFRIKS-LLVKDONJSA-N 1 0 386.340 2.997 20 0 GFADRO C[NH2+]C1CCN(C(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000179133192 552184968 /nfs/dbraw/zinc/18/49/68/552184968.db2.gz DAGOFTAOSMIXFG-INIZCTEOSA-N 1 0 384.307 2.808 20 0 GFADRO CC[N@H+](CC(=O)N[C@@H](C)c1cc2c(cc1Br)OCCO2)C1CC1 ZINC000179159573 552185619 /nfs/dbraw/zinc/18/56/19/552185619.db2.gz BLVVHGKWXNWRMY-NSHDSACASA-N 1 0 383.286 2.882 20 0 GFADRO COC(=O)c1cc(Br)ccc1NC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000179210949 552186990 /nfs/dbraw/zinc/18/69/90/552186990.db2.gz NJODEUNISFTPKO-LBPRGKRZSA-N 1 0 382.258 2.548 20 0 GFADRO COc1ccc(OCCN[C@H](C(N)=O)c2cccc(Br)c2)cc1 ZINC000179215710 552187552 /nfs/dbraw/zinc/18/75/52/552187552.db2.gz PHOHPADFXFRWLM-INIZCTEOSA-N 1 0 379.254 2.653 20 0 GFADRO O[C@@]1(C(F)(F)F)CCN(Cc2cc(Br)c3c(c2)OCCO3)C1 ZINC000179865824 552205388 /nfs/dbraw/zinc/20/53/88/552205388.db2.gz QZDFTLIUVTZJHQ-ZDUSSCGKSA-N 1 0 382.176 2.719 20 0 GFADRO CS(=O)(=O)N1CCC([NH2+][C@@H](c2ccc(Br)cc2)C2CC2)CC1 ZINC000180003564 552208963 /nfs/dbraw/zinc/20/89/63/552208963.db2.gz KNTCISXFVKNITR-MRXNPFEDSA-N 1 0 387.343 2.914 20 0 GFADRO CC[NH+]1CCN([C@H](C)CNC(=O)c2cccc(Br)c2Cl)CC1 ZINC000180112268 552214003 /nfs/dbraw/zinc/21/40/03/552214003.db2.gz PHYWQXMUEKBIDG-GFCCVEGCSA-N 1 0 388.737 2.858 20 0 GFADRO CCO[C@H](CC[NH+](C)C)CNC(=O)C[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000180139580 552214125 /nfs/dbraw/zinc/21/41/25/552214125.db2.gz CIPZRYVWVRJVLB-HZPDHXFCSA-N 1 0 377.312 2.890 20 0 GFADRO CC[C@@H]1CN(C(=O)c2c[nH]c3cccc(Br)c32)CC[N@@H+]1C[C@@H](C)O ZINC000180285806 552220955 /nfs/dbraw/zinc/22/09/55/552220955.db2.gz KBRPPBJAACDSLJ-CHWSQXEVSA-N 1 0 394.313 2.848 20 0 GFADRO CC(=O)Nc1cccc(OCC[NH2+][C@@H](C)Cn2cc(Br)cn2)c1 ZINC000180449063 552226358 /nfs/dbraw/zinc/22/63/58/552226358.db2.gz PYEVMRCOVDWRJE-LBPRGKRZSA-N 1 0 381.274 2.661 20 0 GFADRO CC(C)N1CC[C@H]([NH2+][C@@H](C)CC(=O)Nc2ccc(Br)cc2)C1=O ZINC000180905181 552239656 /nfs/dbraw/zinc/23/96/56/552239656.db2.gz SQLBHHKCJYCYPB-WFASDCNBSA-N 1 0 382.302 2.765 20 0 GFADRO CCS(=O)(=O)NCC[NH2+]Cc1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000180918087 552240090 /nfs/dbraw/zinc/24/00/90/552240090.db2.gz FXODMDAWPBJQDA-UHFFFAOYSA-N 1 0 376.400 2.994 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCN(c2cnn(C)c2)C1=O)c1ccc(F)c(Br)c1 ZINC000180963115 552241202 /nfs/dbraw/zinc/24/12/02/552241202.db2.gz MITZDMLPYHXCTL-ZUZCIYMTSA-N 1 0 381.249 2.778 20 0 GFADRO COc1ccc2c(c1)[C@H]([NH2+]CCNS(=O)(=O)c1cc(C)sc1C)CC2 ZINC000181504975 552259075 /nfs/dbraw/zinc/25/90/75/552259075.db2.gz QBCHLZOCYORVBO-QGZVFWFLSA-N 1 0 380.535 2.929 20 0 GFADRO CC(C)(COc1ncccc1Br)[NH2+]Cc1cn2cccnc2n1 ZINC000181514369 552259691 /nfs/dbraw/zinc/25/96/91/552259691.db2.gz TVQVZUAVGAKVAB-UHFFFAOYSA-N 1 0 376.258 2.834 20 0 GFADRO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CC1(CO)CCOCC1 ZINC000181566564 552261009 /nfs/dbraw/zinc/26/10/09/552261009.db2.gz BHYRMTLOSKNIFA-CYBMUJFWSA-N 1 0 385.302 2.545 20 0 GFADRO Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+]C[C@H]1CCCN1S(C)(=O)=O ZINC000181693961 552266019 /nfs/dbraw/zinc/26/60/19/552266019.db2.gz YYHOJXUOSWQAMM-SWLSCSKDSA-N 1 0 380.539 2.588 20 0 GFADRO Cc1cc(Cl)ccc1NC(=O)CN[C@H](CS(C)(=O)=O)c1ccccc1 ZINC000181780184 552267646 /nfs/dbraw/zinc/26/76/46/552267646.db2.gz JUPXFAYGIHNZHF-QGZVFWFLSA-N 1 0 380.897 2.962 20 0 GFADRO COc1ccc([C@H](C)[NH2+]CC2CCS(=O)(=O)CC2)c(Br)c1 ZINC000182078099 552274352 /nfs/dbraw/zinc/27/43/52/552274352.db2.gz XMCXLUKEEOTRFP-NSHDSACASA-N 1 0 376.316 2.933 20 0 GFADRO COc1ccc([C@@H](C)[NH2+]CC(=O)N(C)Cc2cnn(C)c2)cc1Br ZINC000182073259 552274477 /nfs/dbraw/zinc/27/44/77/552274477.db2.gz WKBNIQGFFIHJKF-GFCCVEGCSA-N 1 0 395.301 2.500 20 0 GFADRO CCOC(=O)COc1c(Br)cc(C)cc1C[N@H+](C)CC(C)(C)O ZINC000182192680 552277629 /nfs/dbraw/zinc/27/76/29/552277629.db2.gz UHQNHNCKKOTBOW-UHFFFAOYSA-N 1 0 388.302 2.902 20 0 GFADRO CCOC(=O)COc1c(Br)cc(C)cc1C[NH2+][C@H](C)[C@H](C)CO ZINC000182280182 552280370 /nfs/dbraw/zinc/28/03/70/552280370.db2.gz HTPZFKPRXYFEMM-CHWSQXEVSA-N 1 0 388.302 2.806 20 0 GFADRO CCOC(=O)COc1c(Br)cc(C)cc1C[NH2+]C[C@@H](O)C(C)C ZINC000182280024 552280404 /nfs/dbraw/zinc/28/04/04/552280404.db2.gz CYMDLZVTWNIDSK-OAHLLOKOSA-N 1 0 388.302 2.806 20 0 GFADRO CCS(=O)(=O)C[C@H](C)[NH2+][C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000183113633 552301092 /nfs/dbraw/zinc/30/10/92/552301092.db2.gz PDCHYEVEHIZANX-JQWIXIFHSA-N 1 0 399.866 2.745 20 0 GFADRO CCCN([C@H]1CC[NH2+]C1)S(=O)(=O)c1ccc(Br)c(Cl)c1 ZINC000183149969 552301679 /nfs/dbraw/zinc/30/16/79/552301679.db2.gz HGVGUQPNBOEARX-JTQLQIEISA-N 1 0 381.723 2.865 20 0 GFADRO O=S(=O)(NCC[C@H]1CC[NH2+]C1)c1c(Cl)cc(F)cc1Br ZINC000183153169 552302325 /nfs/dbraw/zinc/30/23/25/552302325.db2.gz AHJMCMDBBTXING-MRVPVSSYSA-N 1 0 385.686 2.520 20 0 GFADRO Cc1c([C@H](C)[NH2+]CC(=O)N(C)Cc2cc(Br)cs2)cnn1C ZINC000183433253 552309449 /nfs/dbraw/zinc/30/94/49/552309449.db2.gz YIWHISOAPUUJJI-JTQLQIEISA-N 1 0 385.331 2.862 20 0 GFADRO OC1CC[NH+](CCCNCc2cn(-c3ccc(Cl)c(Cl)c3)nn2)CC1 ZINC000183501334 552311213 /nfs/dbraw/zinc/31/12/13/552311213.db2.gz HHPCEXOQZMUQTQ-UHFFFAOYSA-N 1 0 384.311 2.511 20 0 GFADRO Cc1nc(C(F)(F)F)c(CN2CCCC[C@H]2C(=O)N2CCOCC2)s1 ZINC000183578998 552313487 /nfs/dbraw/zinc/31/34/87/552313487.db2.gz XWRWWYQZCATACH-LBPRGKRZSA-N 1 0 377.432 2.684 20 0 GFADRO O=C(C[NH2+][C@@H](CO)c1ccccc1)Nc1ccccc1I ZINC000183644118 552315882 /nfs/dbraw/zinc/31/58/82/552315882.db2.gz CGJLGTAHMPVRPJ-HNNXBMFYSA-N 1 0 396.228 2.553 20 0 GFADRO C[NH+](C)CCn1ccc(NC(=O)N2Cc3cccc(Br)c3C2)n1 ZINC000184416801 552335145 /nfs/dbraw/zinc/33/51/45/552335145.db2.gz ZQMWEEFRSLPADQ-UHFFFAOYSA-N 1 0 378.274 2.755 20 0 GFADRO Cc1cc(CCC(=O)N[C@@H](C)CC[NH+]2CCN(C)CC2)ccc1Br ZINC000184411632 552335273 /nfs/dbraw/zinc/33/52/73/552335273.db2.gz LFXYRRQZCYEROH-INIZCTEOSA-N 1 0 396.373 2.832 20 0 GFADRO Brc1cc2c(c(CN3CC[NH+](C[C@@H]4CCOC4)CC3)c1)OCC2 ZINC000184868864 552346306 /nfs/dbraw/zinc/34/63/06/552346306.db2.gz NPDRXEYPJPWZRB-AWEZNQCLSA-N 1 0 381.314 2.538 20 0 GFADRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)CCNc3ncc(C(F)(F)F)cc3Cl)C[C@@H]12 ZINC000185076376 552352906 /nfs/dbraw/zinc/35/29/06/552352906.db2.gz OPUACOAODNTBSZ-IRUJWGPZSA-N 1 0 376.810 2.752 20 0 GFADRO C[NH+](C)[C@H]1CCC[C@H](NS(=O)(=O)c2ccc(Br)cc2F)C1 ZINC000185062614 552353143 /nfs/dbraw/zinc/35/31/43/552353143.db2.gz FJYJILGVUOJMKJ-RYUDHWBXSA-N 1 0 379.295 2.739 20 0 GFADRO C[NH+](C)CC1(CNS(=O)(=O)c2sccc2Br)CCCC1 ZINC000185097979 552354323 /nfs/dbraw/zinc/35/43/23/552354323.db2.gz KVXXKDAWJYDPQV-UHFFFAOYSA-N 1 0 381.361 2.911 20 0 GFADRO CN(CC[N@H+](C)C1CC1)S(=O)(=O)c1c(Cl)cc(F)cc1Br ZINC000185237776 552357932 /nfs/dbraw/zinc/35/79/32/552357932.db2.gz ONJXJNAYEDQHPK-UHFFFAOYSA-N 1 0 399.713 2.956 20 0 GFADRO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000186761621 552396867 /nfs/dbraw/zinc/39/68/67/552396867.db2.gz XCMQSDJKLKZHRM-NOZJJQNGSA-N 1 0 379.254 2.592 20 0 GFADRO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000186761603 552397267 /nfs/dbraw/zinc/39/72/67/552397267.db2.gz XCMQSDJKLKZHRM-ZANVPECISA-N 1 0 379.254 2.592 20 0 GFADRO COc1nc(C)c(Br)cc1C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000186865499 552400011 /nfs/dbraw/zinc/40/00/11/552400011.db2.gz NMDNKSNVVZFBQK-IUODEOHRSA-N 1 0 382.302 2.717 20 0 GFADRO Cc1cc(C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)c(C)cc1Br ZINC000186958129 552402442 /nfs/dbraw/zinc/40/24/42/552402442.db2.gz MQQZOWCUVHNJNK-AWEZNQCLSA-N 1 0 383.330 2.983 20 0 GFADRO CN(CC(=O)N(C)Cc1ccccc1Br)CC1([NH+](C)C)CCC1 ZINC000186968421 552403083 /nfs/dbraw/zinc/40/30/83/552403083.db2.gz IUMSZJDICPJPTF-UHFFFAOYSA-N 1 0 382.346 2.824 20 0 GFADRO C[C@H](C(=O)N1CC[N@H+](CC(C)(C)O)C[C@@H]1C)c1ccc(Br)cc1 ZINC000186983800 552403730 /nfs/dbraw/zinc/40/37/30/552403730.db2.gz CVSDSBVKZDQHGI-KBPBESRZSA-N 1 0 383.330 2.856 20 0 GFADRO C[C@H]([NH2+]CCc1ccc(F)c(Br)c1)C1CCS(=O)(=O)CC1 ZINC000187098901 552406393 /nfs/dbraw/zinc/40/63/93/552406393.db2.gz QYFJACMRQLHKHC-NSHDSACASA-N 1 0 378.307 2.934 20 0 GFADRO COc1ccc(C[NH2+][C@@H](C)C2CCS(=O)(=O)CC2)cc1Br ZINC000187137318 552407072 /nfs/dbraw/zinc/40/70/72/552407072.db2.gz KTWSAWTVANJLJI-NSHDSACASA-N 1 0 376.316 2.761 20 0 GFADRO COc1ccc(C[NH2+][C@H](C)C2CCS(=O)(=O)CC2)cc1Br ZINC000187137338 552407170 /nfs/dbraw/zinc/40/71/70/552407170.db2.gz KTWSAWTVANJLJI-LLVKDONJSA-N 1 0 376.316 2.761 20 0 GFADRO CC(C)[C@](C)(O)C[NH+]1CCC(C(=O)Nc2ccc(Br)cn2)CC1 ZINC000187208032 552409232 /nfs/dbraw/zinc/40/92/32/552409232.db2.gz CXILSMGFILDSKB-QGZVFWFLSA-N 1 0 384.318 2.902 20 0 GFADRO Cc1cc(Br)c(F)cc1NC(=O)C(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000187222890 552410016 /nfs/dbraw/zinc/41/00/16/552410016.db2.gz AVVAZLIJUIGMOU-QWRGUYRKSA-N 1 0 398.276 2.577 20 0 GFADRO CCO[C@@H]1C[C@@]([NH3+])(C(=O)NCC(=O)Nc2cc(Cl)ccc2Cl)C1(C)C ZINC000187236306 552410085 /nfs/dbraw/zinc/41/00/85/552410085.db2.gz YDBQJWUMPZYXFZ-CXAGYDPISA-N 1 0 388.295 2.581 20 0 GFADRO CC[C@@H]([NH2+]C[C@@H](O)c1ccc(F)cc1Cl)c1cccc(S(N)(=O)=O)c1 ZINC000187427400 552415665 /nfs/dbraw/zinc/41/56/65/552415665.db2.gz VMVDCAIULHCWEH-IAGOWNOFSA-N 1 0 386.876 2.901 20 0 GFADRO Nc1cc[nH+]cc1C(=O)NCC1(c2cccc(Br)c2)CCOCC1 ZINC000187455529 552416155 /nfs/dbraw/zinc/41/61/55/552416155.db2.gz LSJWDIZQUASQPW-UHFFFAOYSA-N 1 0 390.281 2.905 20 0 GFADRO [NH3+]Cc1cc(C(=O)N2CCN(C(=O)c3c(Cl)cccc3Cl)CC2)co1 ZINC000187476382 552416718 /nfs/dbraw/zinc/41/67/18/552416718.db2.gz XJENEBRKCYLUCL-UHFFFAOYSA-N 1 0 382.247 2.643 20 0 GFADRO Cc1cc(C)c(NC(=O)N2CC[N@@H+](C[C@@H](C)O)[C@H](C)C2)cc1Br ZINC000187524313 552417628 /nfs/dbraw/zinc/41/76/28/552417628.db2.gz WAMPZDYULGPTCR-ZIAGYGMSSA-N 1 0 384.318 2.985 20 0 GFADRO Cn1cc(Br)cc1C(=O)NC1CC[NH+](Cc2cccnc2)CC1 ZINC000187789025 552424078 /nfs/dbraw/zinc/42/40/78/552424078.db2.gz GFNIVARTDIOQAT-UHFFFAOYSA-N 1 0 377.286 2.577 20 0 GFADRO Cc1cc(S(=O)(=O)N2CCN(C[C@H]3CCCC[N@H+]3C)CC2)sc1Cl ZINC000187870987 552427233 /nfs/dbraw/zinc/42/72/33/552427233.db2.gz AANPTJXTGVFMSA-CQSZACIVSA-N 1 0 391.990 2.501 20 0 GFADRO CCN1CC[NH+](C[C@H](C)CNC(=O)Cc2ccc(C)c(Br)c2)CC1 ZINC000187936829 552428469 /nfs/dbraw/zinc/42/84/69/552428469.db2.gz LZJKVGLZKKCIOJ-OAHLLOKOSA-N 1 0 396.373 2.690 20 0 GFADRO C[C@H](NC(=O)[C@H]1C[NH2+]CCO1)c1nc(-c2ccc(Br)cc2)cs1 ZINC000187960101 552428931 /nfs/dbraw/zinc/42/89/31/552428931.db2.gz TUPCGXZGRBCBFR-IINYFYTJSA-N 1 0 396.310 2.738 20 0 GFADRO C[C@@H]1CC[C@@](CO)([N@H+](C)CC(=O)N(C)Cc2cc(Br)cs2)C1 ZINC000188017299 552431602 /nfs/dbraw/zinc/43/16/02/552431602.db2.gz PZTBWUZBZJTWLY-MLGOLLRUSA-N 1 0 389.359 2.952 20 0 GFADRO CCCNC(=O)CN1CCC([NH2+][C@@H](C)Cc2ccc(Br)cc2)CC1 ZINC000188119872 552435942 /nfs/dbraw/zinc/43/59/42/552435942.db2.gz HODPKPIFSDFZQF-HNNXBMFYSA-N 1 0 396.373 2.960 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cc1Br ZINC000188126578 552436042 /nfs/dbraw/zinc/43/60/42/552436042.db2.gz SVKSIWTWOQXUBI-CHWSQXEVSA-N 1 0 394.313 2.746 20 0 GFADRO COc1nc(C)c(Br)cc1C(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000188137060 552436627 /nfs/dbraw/zinc/43/66/27/552436627.db2.gz LUTOAEQPVKMOJE-ZDUSSCGKSA-N 1 0 382.302 2.862 20 0 GFADRO O=C(C[NH2+][C@@H](CC1CC1)c1cc(F)cc(Br)c1)N1CCNC1=O ZINC000188185994 552438084 /nfs/dbraw/zinc/43/80/84/552438084.db2.gz IPEMDDHZMCRHJT-AWEZNQCLSA-N 1 0 384.249 2.571 20 0 GFADRO Cc1cc(N2CC[C@H]([NH2+][C@H](C)Cc3ccc(Br)cc3)C2=O)n(C)n1 ZINC000188298771 552441777 /nfs/dbraw/zinc/44/17/77/552441777.db2.gz DJECJVCXVXJBKS-WBMJQRKESA-N 1 0 391.313 2.817 20 0 GFADRO O=C1CNC(=O)N1CC[NH2+][C@H](c1ccc(Br)cc1Cl)C1CC1 ZINC000188460518 552445446 /nfs/dbraw/zinc/44/54/46/552445446.db2.gz CPNRVNQLCZQDAI-AWEZNQCLSA-N 1 0 386.677 2.695 20 0 GFADRO COC(=O)C1(C[NH2+]Cc2cc(Br)cc(Br)c2N)CC1 ZINC000188680152 552452101 /nfs/dbraw/zinc/45/21/01/552452101.db2.gz KHZAOJLULUGJNM-UHFFFAOYSA-N 1 0 392.091 2.837 20 0 GFADRO O[C@H]1CCC[C@H](C[NH2+]Cc2ccc(Br)cc2N2CCOCC2)C1 ZINC000188744131 552454002 /nfs/dbraw/zinc/45/40/02/552454002.db2.gz AUNJEECSHIEYDC-YOEHRIQHSA-N 1 0 383.330 2.926 20 0 GFADRO C[N@H+](Cc1nc(-c2ccc(Br)cc2)c[nH]1)CC1(O)CCOCC1 ZINC000188843929 552456221 /nfs/dbraw/zinc/45/62/21/552456221.db2.gz MNCMCTWDRXYZHX-UHFFFAOYSA-N 1 0 380.286 2.813 20 0 GFADRO CCOc1ccc(NC(=O)NCC[N@@H+]2CCCOCC2)cc1Br ZINC000188889755 552457807 /nfs/dbraw/zinc/45/78/07/552457807.db2.gz DHNWGKWANVHSSK-UHFFFAOYSA-N 1 0 386.290 2.692 20 0 GFADRO Cc1ccc(CC(=O)N2CC[NH+](CC3CCOCC3)CC2)cc1Br ZINC000188918893 552458509 /nfs/dbraw/zinc/45/85/09/552458509.db2.gz RXFVTSCQHFFWTI-UHFFFAOYSA-N 1 0 395.341 2.871 20 0 GFADRO CCN(CCC[NH+](C)C)C(=O)c1cc(=O)c2cc(Br)ccc2[nH]1 ZINC000188939045 552459090 /nfs/dbraw/zinc/45/90/90/552459090.db2.gz JJKSHNLGPGYAEY-UHFFFAOYSA-N 1 0 380.286 2.704 20 0 GFADRO C[C@H]([NH2+]Cc1ccc(S(=O)(=O)CCO)cc1)c1cnc2ccsc2c1 ZINC000189153167 552464638 /nfs/dbraw/zinc/46/46/38/552464638.db2.gz NGFUJMZSIWRSKN-ZDUSSCGKSA-N 1 0 376.503 2.913 20 0 GFADRO O=S(=O)(CCO)c1ccc(C[NH2+][C@@H]2CCSc3c(F)cccc32)cc1 ZINC000189172204 552465047 /nfs/dbraw/zinc/46/50/47/552465047.db2.gz ZCWNKSILHKJXNP-QGZVFWFLSA-N 1 0 381.494 2.918 20 0 GFADRO O=S(=O)(NCC[NH2+]Cc1cc(Cl)cc(C(F)(F)F)c1)c1cccnc1 ZINC000189349162 552469253 /nfs/dbraw/zinc/46/92/53/552469253.db2.gz NPTJRKHPJRBURF-UHFFFAOYSA-N 1 0 393.818 2.822 20 0 GFADRO Cc1cccc(CNC(=O)NCC2([NH+](C)C)CCOCC2)c1Br ZINC000189629696 552476552 /nfs/dbraw/zinc/47/65/52/552476552.db2.gz HWDZGENUQZZAQC-UHFFFAOYSA-N 1 0 384.318 2.668 20 0 GFADRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)Nc1ccc(Cl)c(S(C)(=O)=O)c1 ZINC000189879945 552481851 /nfs/dbraw/zinc/48/18/51/552481851.db2.gz HZOKOMVJAJEEGG-QWHCGFSZSA-N 1 0 387.933 2.985 20 0 GFADRO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc(Cl)c(S(C)(=O)=O)c1 ZINC000189905407 552482817 /nfs/dbraw/zinc/48/28/17/552482817.db2.gz RAEOMKHXNNYHEL-UONOGXRCSA-N 1 0 385.917 2.834 20 0 GFADRO C[C@H]1CN(CCC(=O)Nc2ccc(Br)cc2)CC[N@@H+]1CC(C)(C)O ZINC000189902851 552482926 /nfs/dbraw/zinc/48/29/26/552482926.db2.gz KOPCBVCODPJDMK-AWEZNQCLSA-N 1 0 398.345 2.555 20 0 GFADRO CCO[C@H]1C[C@](CO)([NH2+]CC(=O)Nc2ccccc2Br)C1(C)C ZINC000189958873 552483776 /nfs/dbraw/zinc/48/37/76/552483776.db2.gz SVIRUPXHDJPVIZ-WMLDXEAASA-N 1 0 385.302 2.543 20 0 GFADRO Cc1cc(NC(=O)C(=O)N[C@H](C)C[NH+]2CCCCC2)cc(C)c1Br ZINC000190311758 552492196 /nfs/dbraw/zinc/49/21/96/552492196.db2.gz COVZHLRXSUOUFE-CQSZACIVSA-N 1 0 396.329 2.995 20 0 GFADRO CC[C@@H](CO)[NH+]1CCN(C(=O)Nc2cc(Br)c(F)cc2C)CC1 ZINC000190895005 552512886 /nfs/dbraw/zinc/51/28/86/552512886.db2.gz FDYKGXLMTAAZSQ-LBPRGKRZSA-N 1 0 388.281 2.817 20 0 GFADRO C[N@@H+]1CCC[C@H]2CN(C(=O)Cc3ccc(I)cc3)CC[C@@H]21 ZINC000190977159 552515013 /nfs/dbraw/zinc/51/50/13/552515013.db2.gz JUSOAYGYQHPQKI-HOCLYGCPSA-N 1 0 398.288 2.776 20 0 GFADRO C[NH+]1CCN(Cc2ccc(NC(=O)[C@@H]3CCCCO3)cc2Br)CC1 ZINC000191085157 552518839 /nfs/dbraw/zinc/51/88/39/552518839.db2.gz JHIIAAPRKXGWPR-KRWDZBQOSA-N 1 0 396.329 2.704 20 0 GFADRO Cc1ccc(S(=O)(=O)NCC[NH2+][C@@H](C)c2cnn(C(C)(C)C)c2C)s1 ZINC000191386283 552526420 /nfs/dbraw/zinc/52/64/20/552526420.db2.gz KWQVLXXAJDBUDY-ZDUSSCGKSA-N 1 0 384.571 2.946 20 0 GFADRO Cc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2S(C)(=O)=O)c(-n2cc(Cl)cn2)n1 ZINC000191531474 552530838 /nfs/dbraw/zinc/53/08/38/552530838.db2.gz RLDXXZRCPLDFPF-CVEARBPZSA-N 1 0 382.917 2.675 20 0 GFADRO CS(=O)(=O)Nc1ccc(OCC[NH2+]Cc2ccc(Br)o2)cc1 ZINC000191552124 552531261 /nfs/dbraw/zinc/53/12/61/552531261.db2.gz OPORYZWUCLGTMI-UHFFFAOYSA-N 1 0 389.271 2.582 20 0 GFADRO CN(C)C(=O)[C@H]1CC[C@@H](C[NH2+]Cc2cc(Br)c(Cl)s2)O1 ZINC000191554237 552531573 /nfs/dbraw/zinc/53/15/73/552531573.db2.gz ZPZJQPGUBRFJOW-GZMMTYOYSA-N 1 0 381.723 2.889 20 0 GFADRO Nc1cc(C[N@@H+]2CCC[C@H](C(=O)Nc3ccc(Br)cn3)C2)ccn1 ZINC000191565002 552531956 /nfs/dbraw/zinc/53/19/56/552531956.db2.gz JVNYBRNOSYEUOT-ZDUSSCGKSA-N 1 0 390.285 2.672 20 0 GFADRO Brc1ccc(CN2CC[N@@H+]3CCCC[C@@H]3C2)c(N2CCOCC2)c1 ZINC000191629570 552533554 /nfs/dbraw/zinc/53/35/54/552533554.db2.gz RCLAJTQFYYMKKW-GOSISDBHSA-N 1 0 394.357 2.956 20 0 GFADRO O=C(N1CC[C@@H](C[NH+]2CCOCC2)C1)C1(c2ccccc2Br)CC1 ZINC000191880214 552541135 /nfs/dbraw/zinc/54/11/35/552541135.db2.gz SFWMZUZDQWFVOK-HNNXBMFYSA-N 1 0 393.325 2.661 20 0 GFADRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)Cc2ccc(I)cc2)C1 ZINC000192053771 552547914 /nfs/dbraw/zinc/54/79/14/552547914.db2.gz CKYXKGVXVISGIO-CABCVRRESA-N 1 0 386.277 2.823 20 0 GFADRO CCN1CC[NH+](CCCCNC(=O)c2cccc(Br)c2F)CC1 ZINC000192105870 552551311 /nfs/dbraw/zinc/55/13/11/552551311.db2.gz JXANCYGXPHZPDL-UHFFFAOYSA-N 1 0 386.309 2.736 20 0 GFADRO COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000192194507 552555057 /nfs/dbraw/zinc/55/50/57/552555057.db2.gz XVDHAWXHOKKKJS-WDEREUQCSA-N 1 0 388.295 2.882 20 0 GFADRO CN1CC[NH+](CCC(C)(C)NC(=O)c2cccc(Br)c2F)CC1 ZINC000192214535 552556176 /nfs/dbraw/zinc/55/61/76/552556176.db2.gz PPBBNABVUXFMGJ-UHFFFAOYSA-N 1 0 386.309 2.734 20 0 GFADRO CC[C@@H](CO)[NH+]1CCN(C(=O)Nc2cc(C)c(Br)c(C)c2)CC1 ZINC000192419208 552562458 /nfs/dbraw/zinc/56/24/58/552562458.db2.gz QLUIYACATIRGFF-HNNXBMFYSA-N 1 0 384.318 2.986 20 0 GFADRO C[N@H+]1C[C@H]2CN(C(=O)c3ccc(I)c(Cl)c3)C[C@H]2C1 ZINC000192514359 552566379 /nfs/dbraw/zinc/56/63/79/552566379.db2.gz LPNPQQNCQQNWMZ-PHIMTYICSA-N 1 0 390.652 2.578 20 0 GFADRO CC[NH+](CC)[C@@H](CNC(=O)C(=O)Nc1nc(C)c(C)s1)c1ccsc1 ZINC000192561308 552566631 /nfs/dbraw/zinc/56/66/31/552566631.db2.gz UNXCKMFMCFCIMA-AWEZNQCLSA-N 1 0 380.539 2.959 20 0 GFADRO C[C@H](c1ccc(Br)cc1)N1CCN(Cc2nc(N(C)C)no2)CC1 ZINC000192729341 552972349 /nfs/dbraw/zinc/97/23/49/552972349.db2.gz YUOTYSPNKGOQNK-CYBMUJFWSA-N 1 0 394.317 2.777 20 0 GFADRO C[C@H]([NH2+]CCC(=O)N(C)Cc1ccccc1Br)c1ccnn1C ZINC000192851954 552976413 /nfs/dbraw/zinc/97/64/13/552976413.db2.gz OBAKMFKXGQGFFP-ZDUSSCGKSA-N 1 0 379.302 2.882 20 0 GFADRO C[NH+](C)CCN1CCC(NC(=O)NCCc2ccc(Cl)cc2Cl)CC1 ZINC000193044438 552981265 /nfs/dbraw/zinc/98/12/65/552981265.db2.gz OZBVAKDFHRTGQA-UHFFFAOYSA-N 1 0 387.355 2.861 20 0 GFADRO CCCc1csc(NC(=O)C(=O)N(CC[NH+](C)C)Cc2cccs2)n1 ZINC000193131497 552984133 /nfs/dbraw/zinc/98/41/33/552984133.db2.gz YNZCGSDGBGSCOO-UHFFFAOYSA-N 1 0 380.539 2.686 20 0 GFADRO O=C(NCC[NH+]1CCCC1)[C@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1 ZINC000193160023 552985224 /nfs/dbraw/zinc/98/52/24/552985224.db2.gz NBHOIMYBXXARRC-MRXNPFEDSA-N 1 0 384.307 2.810 20 0 GFADRO Cc1csc([C@@H]2CN(C(=O)NC[C@H](c3cccs3)[NH+](C)C)CCO2)n1 ZINC000193275807 552988315 /nfs/dbraw/zinc/98/83/15/552988315.db2.gz GKAYZHVJIUHXFC-KGLIPLIRSA-N 1 0 380.539 2.899 20 0 GFADRO O=S(=O)(NCC[C@H]1CC[NH2+]C1)c1ccc2cc(Br)ccc2c1 ZINC000193266006 552988561 /nfs/dbraw/zinc/98/85/61/552988561.db2.gz YWRSMKNRIAXAHY-GFCCVEGCSA-N 1 0 383.311 2.880 20 0 GFADRO CC1(NC(=O)c2ccc(I)cc2Cl)CC[NH2+]CC1 ZINC000193357857 552991106 /nfs/dbraw/zinc/99/11/06/552991106.db2.gz RLECYVATWDFXTB-UHFFFAOYSA-N 1 0 378.641 2.817 20 0 GFADRO CC1(CNS(=O)(=O)c2c(Cl)cc(F)cc2Br)CC[NH2+]CC1 ZINC000193376432 552991641 /nfs/dbraw/zinc/99/16/41/552991641.db2.gz KRPGPUPRRFHNQF-UHFFFAOYSA-N 1 0 399.713 2.910 20 0 GFADRO C[NH+](C)CC1CCC(NC(=O)[C@@H]2Cc3cc(Br)ccc3O2)CC1 ZINC000193604853 552998272 /nfs/dbraw/zinc/99/82/72/552998272.db2.gz ZEOMGFYMUPTXBZ-QOJXUVEWSA-N 1 0 381.314 2.989 20 0 GFADRO O=S(=O)(c1c(F)c(F)cc(F)c1F)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000193736256 553001548 /nfs/dbraw/zinc/00/15/48/553001548.db2.gz UDHPWQWHEOTPBD-LLVKDONJSA-N 1 0 380.407 2.882 20 0 GFADRO Brc1cc2c(cc1CN1CCC(C[NH+]3CCOCC3)CC1)OCO2 ZINC000193869797 553005403 /nfs/dbraw/zinc/00/54/03/553005403.db2.gz QINLNRWNWVGISR-UHFFFAOYSA-N 1 0 397.313 2.722 20 0 GFADRO CC(C)[C@@H]([NH2+][C@@H]1CCc2ccc(Br)cc21)C(=O)N1CCOCC1 ZINC000193989346 553008591 /nfs/dbraw/zinc/00/85/91/553008591.db2.gz JHTLSWPLZPEIKE-IAGOWNOFSA-N 1 0 381.314 2.909 20 0 GFADRO CC(C)[C@@H]([NH2+][C@H]1CCc2ccc(Br)cc21)C(=O)N1CCOCC1 ZINC000193989369 553008648 /nfs/dbraw/zinc/00/86/48/553008648.db2.gz JHTLSWPLZPEIKE-DLBZAZTESA-N 1 0 381.314 2.909 20 0 GFADRO C[C@H]([NH2+]CCN1CCN(c2ncccn2)CC1)c1cc(Br)cs1 ZINC000193981618 553008742 /nfs/dbraw/zinc/00/87/42/553008742.db2.gz ZTENTDSYURMKMX-ZDUSSCGKSA-N 1 0 396.358 2.773 20 0 GFADRO Cc1cc(N2CC[C@@H]([NH2+][C@@H]3CCc4ccc(Br)cc43)C2=O)n(C)n1 ZINC000193994012 553009135 /nfs/dbraw/zinc/00/91/35/553009135.db2.gz SPXKAQXMCHVVNI-HZPDHXFCSA-N 1 0 389.297 2.873 20 0 GFADRO CC[NH+](CC)C[C@@H]1CCN(C(=O)[C@H]2Cc3cc(Br)ccc3O2)C1 ZINC000194362994 553018726 /nfs/dbraw/zinc/01/87/26/553018726.db2.gz SGBIZKHISCRWAK-SUMWQHHRSA-N 1 0 381.314 2.943 20 0 GFADRO C[NH+](C)CCC1CCN(S(=O)(=O)c2ccccc2OC(F)(F)F)CC1 ZINC000194379056 553019410 /nfs/dbraw/zinc/01/94/10/553019410.db2.gz MNUFNXZMELKHTP-UHFFFAOYSA-N 1 0 380.432 2.938 20 0 GFADRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)Nc1cc(Cl)ccc1Cl ZINC000195052973 553036620 /nfs/dbraw/zinc/03/66/20/553036620.db2.gz OPAVXGFLQWQMQF-ZDUSSCGKSA-N 1 0 388.295 2.501 20 0 GFADRO O=C(CNC(=O)c1ccc(Cl)c(Cl)c1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000200842199 553052612 /nfs/dbraw/zinc/05/26/12/553052612.db2.gz JDZJRXLJFKJRIU-CQSZACIVSA-N 1 0 384.307 2.810 20 0 GFADRO O=C(NCC[C@H]1CC[NH2+]C1)c1ccc(I)c(Cl)c1 ZINC000226246511 553061429 /nfs/dbraw/zinc/06/14/29/553061429.db2.gz XXYNXRUUAORJFX-SECBINFHSA-N 1 0 378.641 2.674 20 0 GFADRO CCOc1c(Br)cc(C[NH2+][C@H](CO)COC)cc1Br ZINC000233772356 553067048 /nfs/dbraw/zinc/06/70/48/553067048.db2.gz XYUZEAPCUWDBIT-SNVBAGLBSA-N 1 0 397.107 2.707 20 0 GFADRO O=C(CCC[NH2+]Cc1nc(-c2cccc(Br)c2)c[nH]1)NC1CC1 ZINC000236576504 553068987 /nfs/dbraw/zinc/06/89/87/553068987.db2.gz YXNQCDBIZFEZKH-UHFFFAOYSA-N 1 0 377.286 2.988 20 0 GFADRO CCC(CC)(C[NH3+])NC(=O)c1nnn(-c2cccc(Br)c2)c1C ZINC000236811767 553071634 /nfs/dbraw/zinc/07/16/34/553071634.db2.gz FOCAMAQBLNTCBE-UHFFFAOYSA-N 1 0 380.290 2.586 20 0 GFADRO CCCC[C@@H](C[NH3+])NC(=O)CCC[S@@](=O)c1ccc(Br)cc1 ZINC000236804232 553071658 /nfs/dbraw/zinc/07/16/58/553071658.db2.gz TVCMFJXJMBNDPB-RCDICMHDSA-N 1 0 389.359 2.971 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)NC(CC)(CC)C[NH3+] ZINC000236828352 553071850 /nfs/dbraw/zinc/07/18/50/553071850.db2.gz CIXWBNWFNZWFSF-CQSZACIVSA-N 1 0 386.583 2.985 20 0 GFADRO CCOc1ccc(S(=O)(=O)N[C@@H]2CCCC[C@H]2C[NH3+])cc1Br ZINC000236865573 553072152 /nfs/dbraw/zinc/07/21/52/553072152.db2.gz VUPUPAIKDSNPPN-SMDDNHRTSA-N 1 0 391.331 2.644 20 0 GFADRO CCOc1cc(Br)c(CC(=O)NC[C@H]([NH3+])C2CC2)cc1OCC ZINC000236879528 553073127 /nfs/dbraw/zinc/07/31/27/553073127.db2.gz UKFDLUZAXUTNOR-AWEZNQCLSA-N 1 0 385.302 2.643 20 0 GFADRO CCc1nc(C(=O)N2CCC[C@@H](C[NH3+])C2)nn1-c1c(Cl)cccc1Cl ZINC000237022945 553073743 /nfs/dbraw/zinc/07/37/43/553073743.db2.gz JVGFHNOLWBFAEX-NSHDSACASA-N 1 0 382.295 2.947 20 0 GFADRO C[NH2+]CCCC(=O)Nc1ccc(Br)c(I)c1 ZINC000237222129 553076048 /nfs/dbraw/zinc/07/60/48/553076048.db2.gz RBVYRJVWZDLDFK-UHFFFAOYSA-N 1 0 397.054 2.992 20 0 GFADRO C[NH2+]C[C@@H](C)CNC(=O)CCCCc1ccc(I)cc1 ZINC000237280127 553076485 /nfs/dbraw/zinc/07/64/85/553076485.db2.gz SBRJBDIZXCDLFO-CYBMUJFWSA-N 1 0 388.293 2.976 20 0 GFADRO C[NH2+]CC(=O)Nc1ccc([N-]S(=O)(=O)c2c(Cl)cccc2Cl)cc1 ZINC000237296002 553076654 /nfs/dbraw/zinc/07/66/54/553076654.db2.gz JOJRIUBDMNXGHE-UHFFFAOYSA-N 1 0 388.276 2.952 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)Cc1csc(NC(=O)c2cccs2)n1 ZINC000237429579 553077657 /nfs/dbraw/zinc/07/76/57/553077657.db2.gz TWWQLEVMJDXXJF-AAEUAGOBSA-N 1 0 378.523 2.728 20 0 GFADRO C[C@@H]1C[C@@H]([NH3+])CCN1S(=O)(=O)c1c(Cl)cc(F)cc1Br ZINC000237504063 553078960 /nfs/dbraw/zinc/07/89/60/553078960.db2.gz KVNLOIVREXQAQP-APPZFPTMSA-N 1 0 385.686 2.742 20 0 GFADRO Cc1cc(C(=O)N2CCCC[C@H]2C[NH3+])nn1-c1ccc(Br)cc1 ZINC000237685548 553080467 /nfs/dbraw/zinc/08/04/67/553080467.db2.gz GSXHRZCPPZYZOK-HNNXBMFYSA-N 1 0 377.286 2.897 20 0 GFADRO O=C(NCC[C@H]1CCC[NH2+]C1)[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000237733559 553081166 /nfs/dbraw/zinc/08/11/66/553081166.db2.gz IBBUEFSWYYWSQU-TZMCWYRMSA-N 1 0 384.307 2.852 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000237787154 553081538 /nfs/dbraw/zinc/08/15/38/553081538.db2.gz VLFMIRRNMSEINT-GXTWGEPZSA-N 1 0 382.302 2.720 20 0 GFADRO [NH3+]C[C@@H](NC(=O)c1cc(=O)c2cc(Br)ccc2[nH]1)C1CCCCC1 ZINC000237787782 553081710 /nfs/dbraw/zinc/08/17/10/553081710.db2.gz QRHRDBJMFPERDA-MRXNPFEDSA-N 1 0 392.297 2.928 20 0 GFADRO O=C(NCC[NH2+]C1CCCCCC1)c1cc(I)c[nH]1 ZINC000237807042 553082183 /nfs/dbraw/zinc/08/21/83/553082183.db2.gz NGAPPCJYQRQAHX-UHFFFAOYSA-N 1 0 375.254 2.662 20 0 GFADRO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000237810284 553082283 /nfs/dbraw/zinc/08/22/83/553082283.db2.gz REXRZPFMPNLMSA-NSHDSACASA-N 1 0 379.254 2.593 20 0 GFADRO Cc1c(C(=O)NC[C@H]2CCCC[NH2+]2)cnn1-c1cccc(Br)c1 ZINC000237809507 553082413 /nfs/dbraw/zinc/08/24/13/553082413.db2.gz JDUUESPNJDOZGN-CQSZACIVSA-N 1 0 377.286 2.815 20 0 GFADRO [NH3+]CC1CCN(C(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CCCC2)CC1 ZINC000237795604 553082414 /nfs/dbraw/zinc/08/24/14/553082414.db2.gz XXGCYCDHFDRTLH-UHFFFAOYSA-N 1 0 384.929 2.624 20 0 GFADRO [NH3+]C[C@H](C(=O)N[C@H]1CCN(c2ccccc2Br)C1)c1ccccc1 ZINC000237833140 553082810 /nfs/dbraw/zinc/08/28/10/553082810.db2.gz BLURHCGRFTZHFG-HOTGVXAUSA-N 1 0 388.309 2.887 20 0 GFADRO [NH3+]C1CCN(S(=O)(=O)c2cc(Br)cc(C(F)(F)F)c2)CC1 ZINC000237875979 553083228 /nfs/dbraw/zinc/08/32/28/553083228.db2.gz LIWBBEAWRGIRQZ-UHFFFAOYSA-N 1 0 387.221 2.580 20 0 GFADRO [NH3+]C[C@H](NC(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1)C1CC1 ZINC000237897967 553083622 /nfs/dbraw/zinc/08/36/22/553083622.db2.gz COQIQJZZZVEWEQ-BBRMVZONSA-N 1 0 384.307 2.699 20 0 GFADRO [NH3+]C[C@H](NC(=O)Cc1cccc(I)c1)C1CCCCC1 ZINC000237877690 553083640 /nfs/dbraw/zinc/08/36/40/553083640.db2.gz MZJRGEIOFIAPSA-HNNXBMFYSA-N 1 0 386.277 2.858 20 0 GFADRO O=C(CCC1CC[NH2+]CC1)NC[C@H](O)COc1cccc(Cl)c1Cl ZINC000238004801 553085247 /nfs/dbraw/zinc/08/52/47/553085247.db2.gz UONYVUHDSSJCBZ-ZDUSSCGKSA-N 1 0 375.296 2.629 20 0 GFADRO O=C(CCC1CC[NH2+]CC1)NC[C@@H](O)COc1cccc(Cl)c1Cl ZINC000238113925 553086429 /nfs/dbraw/zinc/08/64/29/553086429.db2.gz UONYVUHDSSJCBZ-CYBMUJFWSA-N 1 0 375.296 2.629 20 0 GFADRO C[C@H]1C[N@H+](C[C@@H](O)COc2ccc(Cl)cc2Br)CCCO1 ZINC000245406900 553090057 /nfs/dbraw/zinc/09/00/57/553090057.db2.gz YWXYBHJCNSXLSL-WCQYABFASA-N 1 0 378.694 2.953 20 0 GFADRO C[N@@H+]1CC[C@H](CNC(=O)CNCC(F)(F)F)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245759358 553097168 /nfs/dbraw/zinc/09/71/68/553097168.db2.gz ZEJQJPGDRHMVQG-IAQYHMDHSA-N 1 0 381.801 2.740 20 0 GFADRO Cc1cccc(S(=O)(=O)N2CCC[C@@H]2CN2C[C@H](C)O[C@@H](C)C2)c1Cl ZINC000245874740 553098257 /nfs/dbraw/zinc/09/82/57/553098257.db2.gz SNBOVCBILPEBIJ-HRCADAONSA-N 1 0 386.945 2.911 20 0 GFADRO CCC[C@H]1CN(C[C@@H](O)c2cccc(Br)c2)CC[N@@H+]1CCOC ZINC000245961625 553100333 /nfs/dbraw/zinc/10/03/33/553100333.db2.gz UXOHCDLEKUIDGS-ZWKOTPCHSA-N 1 0 385.346 2.915 20 0 GFADRO COCCO[C@H]1CCC[N@H+](C[C@@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000245993042 553100412 /nfs/dbraw/zinc/10/04/12/553100412.db2.gz XECNWZZESHAYMQ-KGLIPLIRSA-N 1 0 378.296 2.861 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2cccc(Br)c2)[C@@H](C)C1 ZINC000246088488 553102435 /nfs/dbraw/zinc/10/24/35/553102435.db2.gz GMRRGCQJGBWLIL-SWLSCSKDSA-N 1 0 375.332 2.800 20 0 GFADRO CN(Cc1cc(Br)cs1)C(=O)C[N@H+](C)C[C@@H]1CCC[C@H]1O ZINC000246252422 553105305 /nfs/dbraw/zinc/10/53/05/553105305.db2.gz GTSYXHABDTXKCW-SMDDNHRTSA-N 1 0 375.332 2.562 20 0 GFADRO C[C@H]1CCC[N@H+](CC(=O)NCC(=O)Nc2ccccc2Br)[C@H]1C ZINC000246745219 553113003 /nfs/dbraw/zinc/11/30/03/553113003.db2.gz MYZHDBDQTHSCBE-STQMWFEESA-N 1 0 382.302 2.624 20 0 GFADRO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CNC(=O)c1ccc(Cl)c(Cl)c1 ZINC000246829803 553113661 /nfs/dbraw/zinc/11/36/61/553113661.db2.gz AOVHEPGWQLKMMO-KGLIPLIRSA-N 1 0 384.307 2.808 20 0 GFADRO O=S(=O)(CCN1CC[C@H]2OCCC[C@H]2C1)c1cccc(Br)c1 ZINC000246999171 553117365 /nfs/dbraw/zinc/11/73/65/553117365.db2.gz YRZVWPAXULFEPL-XJKSGUPXSA-N 1 0 388.327 2.724 20 0 GFADRO C[C@H]1C[N@@H+](C2CCN(C(=O)[C@@H](O)c3cc(Cl)cc(Cl)c3)CC2)CCO1 ZINC000247854978 553125976 /nfs/dbraw/zinc/12/59/76/553125976.db2.gz XWPWSLOHQFNYPQ-SJCJKPOMSA-N 1 0 387.307 2.739 20 0 GFADRO Cc1ccc(Br)cc1S(=O)(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000248024760 553127289 /nfs/dbraw/zinc/12/72/89/553127289.db2.gz OQZAWBQWYRAZAA-ZFWWWQNUSA-N 1 0 387.343 2.862 20 0 GFADRO Cc1ccc(NC(=O)[C@H](C)[NH2+][C@H]2CCCC[C@H]2C(N)=O)c(Br)c1 ZINC000248400260 553129031 /nfs/dbraw/zinc/12/90/31/553129031.db2.gz PWDKKXFYYOXDBD-SCRDCRAPSA-N 1 0 382.302 2.718 20 0 GFADRO C[C@@H](NC(=O)N1CC[N@@H+](C[C@H](C)O)[C@@H](C)C1)c1ccc(Br)cc1 ZINC000248621342 553131948 /nfs/dbraw/zinc/13/19/48/553131948.db2.gz NAAWJSXPBCVQOA-MELADBBJSA-N 1 0 384.318 2.607 20 0 GFADRO C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@@H](C)c2ccccc2Br)C[C@H]1C ZINC000248632835 553132263 /nfs/dbraw/zinc/13/22/63/553132263.db2.gz PNTYQROJZGFSDM-RDBSUJKOSA-N 1 0 384.318 2.607 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1cc(Cl)ccc1O[C@H](C)COC ZINC000248745174 553134539 /nfs/dbraw/zinc/13/45/39/553134539.db2.gz YYKUEAMUDRGQTN-HIFRSBDPSA-N 1 0 390.933 2.516 20 0 GFADRO C[C@H](CC(=O)Nc1cccc(Br)c1)[N@H+](C)[C@H](C)C[S@](C)=O ZINC000248885134 553136586 /nfs/dbraw/zinc/13/65/86/553136586.db2.gz PZURYRQDGCKPFF-ZSMADZGOSA-N 1 0 375.332 2.865 20 0 GFADRO C[C@H](CNC(=O)C(=O)Nc1ccc(Br)cc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000248876074 553136868 /nfs/dbraw/zinc/13/68/68/553136868.db2.gz NKYGLLSLCAIGNT-CHWSQXEVSA-N 1 0 382.302 2.624 20 0 GFADRO Cc1cnc(NC(=O)C(=O)NC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)s1 ZINC000249287327 553141747 /nfs/dbraw/zinc/14/17/47/553141747.db2.gz PUCORUFCPFKILG-TZMCWYRMSA-N 1 0 378.523 2.651 20 0 GFADRO C[C@@H]1CN(C(=O)[C@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)C[C@@H](C)[NH2+]1 ZINC000252656814 553150231 /nfs/dbraw/zinc/15/02/31/553150231.db2.gz WCYAIZKBDZNIQD-XHBSWPGZSA-N 1 0 384.307 2.807 20 0 GFADRO CCOc1cc(Br)c(CC(=O)NCCC[NH+](C)C)cc1OCC ZINC000253386481 553151393 /nfs/dbraw/zinc/15/13/93/553151393.db2.gz WXCLSDAZRQLMEA-UHFFFAOYSA-N 1 0 387.318 2.857 20 0 GFADRO CC(C)[C@H]([NH3+])C(=O)NCC(=O)Nc1cc(Br)cc(C(F)(F)F)c1 ZINC000261622458 553154624 /nfs/dbraw/zinc/15/46/24/553154624.db2.gz CIJPMJLGTJLCIW-LBPRGKRZSA-N 1 0 396.207 2.506 20 0 GFADRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)[C@H](c1ccc(Cl)cc1Cl)N1CCOCC1 ZINC000261704724 553156519 /nfs/dbraw/zinc/15/65/19/553156519.db2.gz JMLUHRQGDJJURC-IGCXYCKISA-N 1 0 386.323 2.562 20 0 GFADRO COc1ccc(C(=O)Nc2ccc(N3CC[NH2+]CC3)cn2)cc1Br ZINC000261777758 553159368 /nfs/dbraw/zinc/15/93/68/553159368.db2.gz XPKZXOCRIQRDRS-UHFFFAOYSA-N 1 0 391.269 2.515 20 0 GFADRO CC(C)N(C)S(=O)(=O)c1ccc(Cl)c(-c2nc(C3([NH3+])CCC3)no2)c1 ZINC000261818341 553159858 /nfs/dbraw/zinc/15/98/58/553159858.db2.gz QHPVNSPIHMJNBE-UHFFFAOYSA-N 1 0 384.889 2.757 20 0 GFADRO C[C@@]([NH3+])(C(=O)NCCc1cn2c(n1)CCCC2)c1ccc(Br)cc1 ZINC000261841351 553160402 /nfs/dbraw/zinc/16/04/02/553160402.db2.gz UZFDZIYZEIUHKI-SFHVURJKSA-N 1 0 391.313 2.515 20 0 GFADRO COc1cc(C(=O)N2CCC3(CC[NH2+]C3)CC2)cc(OC)c1Br ZINC000261842089 553160486 /nfs/dbraw/zinc/16/04/86/553160486.db2.gz PRBZQBYMHPZDQC-UHFFFAOYSA-N 1 0 383.286 2.682 20 0 GFADRO C[C@]([NH3+])(C(=O)N1CCC[C@@H](c2ncc[nH]2)C1)c1ccc(Br)cc1 ZINC000261843455 553161034 /nfs/dbraw/zinc/16/10/34/553161034.db2.gz VCUSZGSXGWJRCK-SJKOYZFVSA-N 1 0 377.286 2.752 20 0 GFADRO [NH3+]CC[C@@H]1CCCCN1S(=O)(=O)c1c(Cl)cccc1Br ZINC000261867126 553161509 /nfs/dbraw/zinc/16/15/09/553161509.db2.gz YPGFJLAFPHOWQQ-JTQLQIEISA-N 1 0 381.723 2.995 20 0 GFADRO C[C@H](NC(=O)C[C@@H]1CCC[C@H]1[NH3+])c1cc2c(cc1Br)OCCO2 ZINC000261873122 553161574 /nfs/dbraw/zinc/16/15/74/553161574.db2.gz YCKYOKGTNNBDTG-COPLHBTASA-N 1 0 383.286 2.915 20 0 GFADRO CN(Cc1cc(Br)ccc1F)C(=O)C1(n2cccn2)CC[NH2+]CC1 ZINC000261879849 553161741 /nfs/dbraw/zinc/16/17/41/553161741.db2.gz FDIAAWBUDSAJKQ-UHFFFAOYSA-N 1 0 395.276 2.522 20 0 GFADRO CN(Cc1cccc(Br)c1)C(=O)[C@]1([NH3+])[C@H]2CCCO[C@@H]2C1(C)C ZINC000261895362 553162190 /nfs/dbraw/zinc/16/21/90/553162190.db2.gz OGLYRARTEKHANF-RLFYNMQTSA-N 1 0 381.314 2.940 20 0 GFADRO CC[C@H](Sc1ccccc1)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000261903819 553162330 /nfs/dbraw/zinc/16/23/30/553162330.db2.gz SAUYVONBNYVALE-LSDHHAIUSA-N 1 0 375.460 2.510 20 0 GFADRO Cc1cc(Br)cc(C)c1CNC(=O)C1(n2cccn2)CC[NH2+]CC1 ZINC000261932352 553163086 /nfs/dbraw/zinc/16/30/86/553163086.db2.gz LWFJATHOPSSPAN-UHFFFAOYSA-N 1 0 391.313 2.658 20 0 GFADRO C[NH2+]CCC1CCN(CCS(=O)(=O)c2cccc(Br)c2)CC1 ZINC000262017046 553164530 /nfs/dbraw/zinc/16/45/30/553164530.db2.gz WMIDOYJHGIGIHM-UHFFFAOYSA-N 1 0 389.359 2.544 20 0 GFADRO O=C(CNC(=O)c1cccc(Cl)c1)Nc1ncc(C2CC[NH2+]CC2)s1 ZINC000262081270 553165401 /nfs/dbraw/zinc/16/54/01/553165401.db2.gz QNPQKGYKYOEDNV-UHFFFAOYSA-N 1 0 378.885 2.632 20 0 GFADRO C[C@H](NS(=O)(=O)c1cccc(Br)c1Cl)[C@H]1CCC[NH2+]C1 ZINC000262097261 553165813 /nfs/dbraw/zinc/16/58/13/553165813.db2.gz SKHJPIOZCVHGML-UWVGGRQHSA-N 1 0 381.723 2.769 20 0 GFADRO C[C@@]1(C[NH3+])CCN(C(=O)[C@H]2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)C1 ZINC000262181435 553167140 /nfs/dbraw/zinc/16/71/40/553167140.db2.gz ZDNDRAMGDIDFAC-QAPCUYQASA-N 1 0 384.307 2.795 20 0 GFADRO O=S(=O)(Cc1ccccc1C(F)(F)F)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000262232034 553167442 /nfs/dbraw/zinc/16/74/42/553167442.db2.gz GYJDTSZHPTXVAV-MRXNPFEDSA-N 1 0 376.444 2.999 20 0 GFADRO O=C(CN1CC[NH2+]C[C@@H]1c1ccccc1Cl)N1CCc2sccc2C1 ZINC000262302149 553168573 /nfs/dbraw/zinc/16/85/73/553168573.db2.gz XQDUDBVTDLZUFZ-QGZVFWFLSA-N 1 0 375.925 2.933 20 0 GFADRO [NH3+][C@@H]1CCC[C@H](C(=O)NC[C@H]2CCN(c3ccc(Br)cc3)C2)C1 ZINC000262319126 553169329 /nfs/dbraw/zinc/16/93/29/553169329.db2.gz VHKJCNSEPPHAOF-IJEWVQPXSA-N 1 0 380.330 2.909 20 0 GFADRO O=C(NCC[C@@H]1CC[NH2+]C1)[C@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl ZINC000262593936 553173077 /nfs/dbraw/zinc/17/30/77/553173077.db2.gz SUBJWXVTJMNXEF-BLLLJJGKSA-N 1 0 384.307 2.714 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)c2cnn(-c3cccc(Br)c3)c2)C1 ZINC000262621489 553173590 /nfs/dbraw/zinc/17/35/90/553173590.db2.gz JQUVWYVGCUZQHZ-CHWSQXEVSA-N 1 0 377.286 2.834 20 0 GFADRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)[C@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 ZINC000262701879 553174236 /nfs/dbraw/zinc/17/42/36/553174236.db2.gz AWRHSKNRSGEWRM-HFBAOOFYSA-N 1 0 384.307 2.712 20 0 GFADRO Cc1cc(Br)c(O)c(NC(=O)c2ccn([C@@H]3CCC[NH2+]C3)n2)c1 ZINC000262774041 553175663 /nfs/dbraw/zinc/17/56/63/553175663.db2.gz MPVXVHFMXUSNTI-LLVKDONJSA-N 1 0 379.258 2.836 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)CC[NH2+]1 ZINC000262810143 553176100 /nfs/dbraw/zinc/17/61/00/553176100.db2.gz FUTJKHXAQRWDPB-KFNAQCHYSA-N 1 0 384.307 2.855 20 0 GFADRO CCO[C@@H]1C[C@@]([NH3+])(C(=O)NC[C@H](C)Oc2cccc(Br)c2)C1(C)C ZINC000262802293 553176236 /nfs/dbraw/zinc/17/62/36/553176236.db2.gz RNRLLXMIEKVYHJ-WBHUJUFNSA-N 1 0 399.329 2.865 20 0 GFADRO CCO[C@@H]1C[C@]([NH3+])(C(=O)NC[C@@H](C)Oc2cccc(Br)c2)C1(C)C ZINC000262802291 553176286 /nfs/dbraw/zinc/17/62/86/553176286.db2.gz RNRLLXMIEKVYHJ-DWQUBVKVSA-N 1 0 399.329 2.865 20 0 GFADRO CCOc1cc(Br)c(CC(=O)N[C@@H]2CC[NH2+]C[C@H]2C)cc1OCC ZINC000262910622 553178490 /nfs/dbraw/zinc/17/84/90/553178490.db2.gz YMYJGBCWDJROEH-IUODEOHRSA-N 1 0 399.329 2.903 20 0 GFADRO COc1cc(CNC(=O)[C@H]2CCCC[C@@]2(C)[NH3+])cc(Br)c1OC ZINC000263316130 553186026 /nfs/dbraw/zinc/18/60/26/553186026.db2.gz ZLNQKPDKFKFSCP-SJKOYZFVSA-N 1 0 385.302 2.990 20 0 GFADRO CCN(Cc1ccccc1Br)C(=O)CCN1CC[NH+](CC)CC1 ZINC000263647875 553190083 /nfs/dbraw/zinc/19/00/83/553190083.db2.gz FCCYCIYQYBOEAL-UHFFFAOYSA-N 1 0 382.346 2.825 20 0 GFADRO C[C@H](CNC(=O)COc1cc(Cl)c(Cl)cc1Cl)N1CC[NH+](C)CC1 ZINC000263812022 553194115 /nfs/dbraw/zinc/19/41/15/553194115.db2.gz XCSPDLFDHLQLNJ-LLVKDONJSA-N 1 0 394.730 2.778 20 0 GFADRO Cc1cc(CNC(=O)N[C@@H]2CC[NH2+][C@@H](C)C2)ccc1I ZINC000418144018 563899822 /nfs/dbraw/zinc/89/98/22/563899822.db2.gz RZKVHCFWGJPELE-WCQYABFASA-N 1 0 387.265 2.539 20 0 GFADRO O=C(NCC[C@H]1CCC[NH2+]C1)NCc1cc(F)c(F)cc1Br ZINC000418188006 563900751 /nfs/dbraw/zinc/90/07/51/563900751.db2.gz WDQVZWGACBSXJH-SNVBAGLBSA-N 1 0 376.245 2.916 20 0 GFADRO O=C(c1ccc(I)cc1Cl)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000449729580 564199895 /nfs/dbraw/zinc/19/98/95/564199895.db2.gz AUHZLNJMZXSWSR-TVQRCGJNSA-N 1 0 390.652 2.769 20 0 GFADRO COCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](Cc2cc(Br)cs2)C1 ZINC000511502286 564374276 /nfs/dbraw/zinc/37/42/76/564374276.db2.gz BVSHLYXIBGMDFT-NEPJUHHUSA-N 1 0 375.332 2.874 20 0 GFADRO CS(=O)(=O)N[C@@H]1CCCC[C@@H]1C[NH2+]Cc1ccc(F)c(Br)c1 ZINC000512869292 564414809 /nfs/dbraw/zinc/41/48/09/564414809.db2.gz QANDAHRDOVWLTE-IUODEOHRSA-N 1 0 393.322 2.786 20 0 GFADRO CN(C)[C@H](C[NH2+][C@H]1CCS(=O)(=O)c2ccc(Br)cc21)C1CC1 ZINC000480234525 564466067 /nfs/dbraw/zinc/46/60/67/564466067.db2.gz SAAAHGZWHVDMKT-LSDHHAIUSA-N 1 0 387.343 2.597 20 0 GFADRO C[N@@H+]1CC[C@H](Nc2ncc(I)cn2)[C@@H]1c1ccccc1 ZINC000547328593 564484492 /nfs/dbraw/zinc/48/44/92/564484492.db2.gz GXRCURJSUXYRGP-KBPBESRZSA-N 1 0 380.233 2.939 20 0 GFADRO COCCOC1(C[NH2+]Cc2ccc(Br)c(F)c2)CCOCC1 ZINC000294729370 563214814 /nfs/dbraw/zinc/21/48/14/563214814.db2.gz GFCGIDGOZYLQSG-UHFFFAOYSA-N 1 0 376.266 2.890 20 0 GFADRO [NH3+]CC1(CCNC(=O)Nc2cccc(F)c2I)CC1 ZINC000593764431 565359073 /nfs/dbraw/zinc/35/90/73/565359073.db2.gz VNSLUPWITXFSIF-UHFFFAOYSA-N 1 0 377.201 2.681 20 0 GFADRO O=C(c1ccc(I)cc1)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000423935910 563364083 /nfs/dbraw/zinc/36/40/83/563364083.db2.gz BFOQLRHYBZIDHJ-ZFWWWQNUSA-N 1 0 384.261 2.895 20 0 GFADRO CC[C@@H]1CN(S(=O)(=O)c2c(Cl)cccc2Br)CC[C@H]1[NH3+] ZINC000312717841 563436964 /nfs/dbraw/zinc/43/69/64/563436964.db2.gz UMECIQCNAAERIA-BXKDBHETSA-N 1 0 381.723 2.850 20 0 GFADRO C[NH+](C)[C@H]1CCC[C@@H](Nc2c(F)cc(S(N)(=O)=O)cc2Br)C1 ZINC000428175589 563484402 /nfs/dbraw/zinc/48/44/02/563484402.db2.gz JCUJPAAWSHBPBD-ZJUUUORDSA-N 1 0 394.310 2.520 20 0 GFADRO C[C@@H]([NH2+][C@H]1CCN(c2ccn(C)n2)C1=O)c1ccc(F)c(Br)c1 ZINC000369442100 563214205 /nfs/dbraw/zinc/21/42/05/563214205.db2.gz XCWNHAKEBGUTEZ-YGRLFVJLSA-N 1 0 381.249 2.778 20 0 GFADRO C[C@H](NC(=O)NCc1nc2c(cccc2Br)[nH]1)[C@H]1CCC[NH2+]C1 ZINC000418269756 563214809 /nfs/dbraw/zinc/21/48/09/563214809.db2.gz QUAAZEODEBHEBD-QWRGUYRKSA-N 1 0 380.290 2.513 20 0 GFADRO CCCN(C(=O)NCc1nc2c(cccc2Br)[nH]1)[C@H]1CC[NH2+]C1 ZINC000418271076 563215011 /nfs/dbraw/zinc/21/50/11/563215011.db2.gz SLQQACSJDXSPBR-NSHDSACASA-N 1 0 380.290 2.609 20 0 GFADRO C[C@H](NC(=O)NCc1nc2c(cccc2Br)[nH]1)[C@@H]1CCC[NH2+]C1 ZINC000418269757 563215024 /nfs/dbraw/zinc/21/50/24/563215024.db2.gz QUAAZEODEBHEBD-WDEREUQCSA-N 1 0 380.290 2.513 20 0 GFADRO O=C(N[C@@H]1CCc2c1ccc(F)c2Br)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000418246264 563215045 /nfs/dbraw/zinc/21/50/45/563215045.db2.gz FSPIQBJRNHTTIW-RHSMWYFYSA-N 1 0 382.277 2.971 20 0 GFADRO COCCN(Cc1ccc(Br)s1)C(=O)NCCC[NH2+]C1CC1 ZINC000418296923 563215458 /nfs/dbraw/zinc/21/54/58/563215458.db2.gz HGLBEIUSOHXQHY-UHFFFAOYSA-N 1 0 390.347 2.811 20 0 GFADRO O=C(NCCC[NH2+]Cc1cccnc1)NCCc1cccc(Br)c1 ZINC000418279873 563215781 /nfs/dbraw/zinc/21/57/81/563215781.db2.gz LGQOFXUBCRNXRF-UHFFFAOYSA-N 1 0 391.313 2.866 20 0 GFADRO COc1ccc(Br)c(CN(C)C(=O)N[C@@H](C)[C@H]2CCC[NH2+]C2)c1 ZINC000418357815 563216459 /nfs/dbraw/zinc/21/64/59/563216459.db2.gz YOOUBCVBRBNNDE-STQMWFEESA-N 1 0 384.318 2.987 20 0 GFADRO C[NH2+]C[C@H](C)CNC(=O)N1CCO[C@H](c2ccc(Br)cc2)[C@H]1C ZINC000418392923 563216974 /nfs/dbraw/zinc/21/69/74/563216974.db2.gz QHEBNHPXALBFRE-ZENOOKHLSA-N 1 0 384.318 2.776 20 0 GFADRO C[C@H](NC(=O)c1cccs1)C(=O)NC[C@@H]1CC[N@H+](C)[C@@H]1c1cccs1 ZINC000369552709 563217147 /nfs/dbraw/zinc/21/71/47/563217147.db2.gz WRFFSPJYWQQUTN-XEZPLFJOSA-N 1 0 377.535 2.737 20 0 GFADRO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)NC[C@H](O)COc1cccc(Cl)c1Cl ZINC000418414385 563217410 /nfs/dbraw/zinc/21/74/10/563217410.db2.gz RSFZPUVTDFPBIM-SGMGOOAPSA-N 1 0 390.311 2.550 20 0 GFADRO [NH3+]C[C@H](NC(=O)N1CCC[C@H]1c1ccc(I)cc1)C1CC1 ZINC000418475585 563217711 /nfs/dbraw/zinc/21/77/11/563217711.db2.gz SUVMDJZQJHTDKM-GJZGRUSLSA-N 1 0 399.276 2.875 20 0 GFADRO COc1cc(C[NH2+][C@@H]2CCOC[C@H]2C)cc(I)c1OC ZINC000277635499 563218207 /nfs/dbraw/zinc/21/82/07/563218207.db2.gz CMNFJGKKKUNCGC-ZWNOBZJWSA-N 1 0 391.249 2.823 20 0 GFADRO COCC[NH2+]CCNC(=O)N1CCC(C)(c2cccc(Br)c2)CC1 ZINC000418505218 563218448 /nfs/dbraw/zinc/21/84/48/563218448.db2.gz DQJMCTSOCGLYNL-UHFFFAOYSA-N 1 0 398.345 2.748 20 0 GFADRO C[C@@H]1[C@H](c2ccc(Br)cc2)OCCN1C(=O)NC[C@H]1CC[NH2+]C1 ZINC000418511374 563218861 /nfs/dbraw/zinc/21/88/61/563218861.db2.gz DIZQZXFAQVAFMA-DVOMOZLQSA-N 1 0 382.302 2.530 20 0 GFADRO [NH3+]CCCCNC(=O)N(Cc1cccc(Br)c1)C1CCOCC1 ZINC000418504569 563218868 /nfs/dbraw/zinc/21/88/68/563218868.db2.gz AMZIKSRVYZMIFS-UHFFFAOYSA-N 1 0 384.318 2.879 20 0 GFADRO [NH3+][C@@H](CNC(=O)N1CCC(Nc2cccc(Br)c2)CC1)C1CC1 ZINC000418499338 563218891 /nfs/dbraw/zinc/21/88/91/563218891.db2.gz NTJCZRZFCIELTD-INIZCTEOSA-N 1 0 381.318 2.772 20 0 GFADRO O=C(NCc1ccc2c(c1)C[NH2+]C2)N[C@@H](CO)c1cccc(Br)c1 ZINC000418551214 563220011 /nfs/dbraw/zinc/22/00/11/563220011.db2.gz IHNNTBLQPZEMJQ-KRWDZBQOSA-N 1 0 390.281 2.585 20 0 GFADRO C[C@]1(CNC(=O)N[C@@H](CCO)c2ccccc2Br)CCC[NH2+]C1 ZINC000418550927 563220220 /nfs/dbraw/zinc/22/02/20/563220220.db2.gz UFJGNCKJLVAYGI-RDJZCZTQSA-N 1 0 384.318 2.562 20 0 GFADRO CCN(CCOc1ccc(Br)cc1)C(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000418604125 563220661 /nfs/dbraw/zinc/22/06/61/563220661.db2.gz XENFNTKZHVNGOI-CJNGLKHVSA-N 1 0 384.318 2.857 20 0 GFADRO COC[C@]1(CNC(=O)NC2(Cc3ccccc3Br)CC2)CCC[NH2+]1 ZINC000418629166 563221409 /nfs/dbraw/zinc/22/14/09/563221409.db2.gz DECFEFFWDQHLES-GOSISDBHSA-N 1 0 396.329 2.592 20 0 GFADRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NC(C)(C)COc1ncc(Cl)cc1Cl ZINC000418606498 563221522 /nfs/dbraw/zinc/22/15/22/563221522.db2.gz ZKLYUGLQDFGNOA-ZWNOBZJWSA-N 1 0 375.300 2.843 20 0 GFADRO CC(C)(COc1ncccc1Br)NC(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000418620891 563221649 /nfs/dbraw/zinc/22/16/49/563221649.db2.gz LHDCBPFEJKWEBK-AWEZNQCLSA-N 1 0 399.333 2.818 20 0 GFADRO O=Cc1ccc(OCC(=O)N2CCC[C@H]2C[NH+]2CCCC2)c(Br)c1 ZINC000369726377 563222482 /nfs/dbraw/zinc/22/24/82/563222482.db2.gz USZBOZYBNKVCMU-HNNXBMFYSA-N 1 0 395.297 2.727 20 0 GFADRO C[C@@H](CCC[NH3+])NC(=O)N1CCN(C(=O)c2cccc(Cl)c2Cl)CC1 ZINC000418706326 563223013 /nfs/dbraw/zinc/22/30/13/563223013.db2.gz OOCKQRDCJGQTSK-LBPRGKRZSA-N 1 0 387.311 2.588 20 0 GFADRO CC[N@H+](CCNCc1cc(Br)ccc1O[C@@H](C)C(=O)NC)C1CC1 ZINC000294952412 563223096 /nfs/dbraw/zinc/22/30/96/563223096.db2.gz FMGXUXFHVWJEFS-ZDUSSCGKSA-N 1 0 398.345 2.536 20 0 GFADRO C[C@H]([NH3+])[C@H](C)NC(=O)N1CCC[C@H]1c1ccc(I)cc1 ZINC000418729306 563223319 /nfs/dbraw/zinc/22/33/19/563223319.db2.gz QYBNZBAWMUPMGI-MJVIPROJSA-N 1 0 387.265 2.873 20 0 GFADRO [NH3+][C@H]1CCC[C@@H](CNC(=O)N(CCO)Cc2cc(Br)cs2)C1 ZINC000418725799 563223724 /nfs/dbraw/zinc/22/37/24/563223724.db2.gz PDQZCPKCICYYNN-YPMHNXCESA-N 1 0 390.347 2.532 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[N@H+](C)C[C@H]1CCCOC1 ZINC000294964979 563223771 /nfs/dbraw/zinc/22/37/71/563223771.db2.gz WJTRFQVMPANNKQ-UONOGXRCSA-N 1 0 399.329 2.821 20 0 GFADRO C[C@H](NC(=O)c1c(Br)cnn1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000294964530 563223797 /nfs/dbraw/zinc/22/37/97/563223797.db2.gz LGQYYUIGDRDSOS-ZFWWWQNUSA-N 1 0 391.313 2.823 20 0 GFADRO O=C(N[C@@H]1C[NH2+]CCC1(F)F)N(CCCO)Cc1ccc(Cl)c(Cl)c1 ZINC000418752070 563224209 /nfs/dbraw/zinc/22/42/09/563224209.db2.gz SGAYDKYYNRIVCL-CQSZACIVSA-N 1 0 396.265 2.885 20 0 GFADRO CN(C(=O)N[C@@H]1C[NH2+]CCC1(F)F)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000418755042 563224410 /nfs/dbraw/zinc/22/44/10/563224410.db2.gz IJHHDMODXSZXSI-MCIONIFRSA-N 1 0 394.249 2.590 20 0 GFADRO C[C@H]1CN(C(=O)c2cc(F)cc(Br)c2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000369765417 563224439 /nfs/dbraw/zinc/22/44/39/563224439.db2.gz FXNQMRWMXCYAQN-GUYCJALGSA-N 1 0 398.320 2.686 20 0 GFADRO CC(C)(NC(=O)N[C@H]1C[NH2+]CCC1(F)F)c1ccccc1Br ZINC000418767211 563225026 /nfs/dbraw/zinc/22/50/26/563225026.db2.gz QAYUNICPPWVZSR-LBPRGKRZSA-N 1 0 376.245 2.981 20 0 GFADRO O=C(N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)N1CCc2cccc(Br)c2C1 ZINC000418807029 563226054 /nfs/dbraw/zinc/22/60/54/563226054.db2.gz YULMWMKGQVAQTO-QLFBSQMISA-N 1 0 378.314 2.905 20 0 GFADRO C[C@@H](NC(=O)C(=O)NC[C@@H]1[NH2+]CCCC1(C)C)c1ccccc1Br ZINC000418829861 563226645 /nfs/dbraw/zinc/22/66/45/563226645.db2.gz DRWGCTVKGZLASD-DOMZBBRYSA-N 1 0 396.329 2.521 20 0 GFADRO [NH3+]CC[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000418814788 563226683 /nfs/dbraw/zinc/22/66/83/563226683.db2.gz HDASOMJHQFDQEM-DETPVDSQSA-N 1 0 384.307 2.553 20 0 GFADRO C[C@@H](NC(=O)C(=O)N1CCC(C[NH3+])CC1)c1cc(F)c(Cl)cc1Cl ZINC000418847736 563227247 /nfs/dbraw/zinc/22/72/47/563227247.db2.gz JSKCICNIEXVXPI-SECBINFHSA-N 1 0 376.259 2.507 20 0 GFADRO COCC[N@@H+]1CCC[C@@H]1CNc1nc(C(F)(F)F)c(Br)s1 ZINC000418849030 563227435 /nfs/dbraw/zinc/22/74/35/563227435.db2.gz ACEADZROBOOPKB-MRVPVSSYSA-N 1 0 388.253 3.447 20 0 GFADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+][C@H](C)CC(C)(C)O ZINC000295055261 563227711 /nfs/dbraw/zinc/22/77/11/563227711.db2.gz NTGLEIUFRXCNML-VXGBXAGGSA-N 1 0 387.318 2.602 20 0 GFADRO Cc1cc(Br)ccc1CNC(=O)C(=O)NCC1([NH3+])CCCCCC1 ZINC000418859045 563228648 /nfs/dbraw/zinc/22/86/48/563228648.db2.gz XFLJJFWDRNHLEV-UHFFFAOYSA-N 1 0 396.329 2.542 20 0 GFADRO C[C@H](NC(=O)C(=O)NCC[C@@H]1CCC[NH2+]C1)c1cc(F)c(Cl)cc1Cl ZINC000418864496 563228667 /nfs/dbraw/zinc/22/86/67/563228667.db2.gz QUQUGHNDVZZGAT-QWRGUYRKSA-N 1 0 390.286 2.816 20 0 GFADRO CC1(C)CN(C(=O)C(=O)N[C@H]2C[C@H](c3ccc(Cl)c(Cl)c3)C2)CC[NH2+]1 ZINC000418887441 563229172 /nfs/dbraw/zinc/22/91/72/563229172.db2.gz DGAYGPALOPQBMS-JOCQHMNTSA-N 1 0 384.307 2.566 20 0 GFADRO C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@@H]1CCCN(CCCO)C1 ZINC000295127918 563230243 /nfs/dbraw/zinc/23/02/43/563230243.db2.gz OEAZZIAYCNTZNY-WMLDXEAASA-N 1 0 398.345 2.603 20 0 GFADRO [NH3+]C[C@H]1CCC[C@@H]1NC(=O)C(=O)N[C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000418898543 563230413 /nfs/dbraw/zinc/23/04/13/563230413.db2.gz ZSOOVXQIGSJSOL-JXFSHQFZSA-N 1 0 384.307 2.599 20 0 GFADRO C[C@H](NC(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1cc(Cl)ccc1Cl ZINC000418951139 563231882 /nfs/dbraw/zinc/23/18/82/563231882.db2.gz HXRDQJJNKQPQEI-CIQGVGRVSA-N 1 0 384.307 2.675 20 0 GFADRO CCCC[C@H](C[NH3+])NC(=O)C(=O)N[C@@H](C)CCc1ccc(Br)cc1 ZINC000419026085 563232437 /nfs/dbraw/zinc/23/24/37/563232437.db2.gz UAPIYSFGHXFWPP-XJKSGUPXSA-N 1 0 398.345 2.520 20 0 GFADRO CC[C@@H](NC(=O)C(=O)N1CCC([NH2+]CC2CC2)CC1)c1ccc(Cl)s1 ZINC000419042000 563232491 /nfs/dbraw/zinc/23/24/91/563232491.db2.gz OPIJYKNLGBZKAR-CQSZACIVSA-N 1 0 383.945 2.959 20 0 GFADRO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)C(=O)NCCCc1ccc(Cl)cc1Cl ZINC000419036750 563232494 /nfs/dbraw/zinc/23/24/94/563232494.db2.gz GZNRTAYSVSNVDY-XJKSGUPXSA-N 1 0 386.323 2.676 20 0 GFADRO [NH3+]C1(CNC(=O)C(=O)N[C@@H](c2ccsc2)c2ccc(Cl)cc2)CCC1 ZINC000419125925 563233722 /nfs/dbraw/zinc/23/37/22/563233722.db2.gz LLEXTJCYPOYMEY-OAHLLOKOSA-N 1 0 377.897 2.605 20 0 GFADRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N[C@H]1CCc2c1ccc(Cl)c2Cl ZINC000419101911 563233878 /nfs/dbraw/zinc/23/38/78/563233878.db2.gz QUDPFFNBJYKNIV-GJZGRUSLSA-N 1 0 386.323 2.929 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N[C@H]1CCSc2ccc(Cl)cc21 ZINC000419201090 563234604 /nfs/dbraw/zinc/23/46/04/563234604.db2.gz BUURSEONAOSYQY-TUKIKUTGSA-N 1 0 381.929 2.721 20 0 GFADRO C[C@H]1C[C@H](NC(=O)c2c(Br)cnn2C)CC[N@@H+]1Cc1ccccc1 ZINC000295198888 563234709 /nfs/dbraw/zinc/23/47/09/563234709.db2.gz VVMZYPAOAKKVNX-DZGCQCFKSA-N 1 0 391.313 2.966 20 0 GFADRO C[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000419281491 563235965 /nfs/dbraw/zinc/23/59/65/563235965.db2.gz LFNMVMBYPNDRKO-DYEKYZERSA-N 1 0 386.323 2.545 20 0 GFADRO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1Cc1ncc(-c2cccc(Br)c2)o1 ZINC000419330126 563236903 /nfs/dbraw/zinc/23/69/03/563236903.db2.gz QLACHPPFCIBKAP-UONOGXRCSA-N 1 0 394.313 2.991 20 0 GFADRO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1Cc1ncc(-c2cccc(Br)c2)o1 ZINC000419330124 563237171 /nfs/dbraw/zinc/23/71/71/563237171.db2.gz QLACHPPFCIBKAP-KBPBESRZSA-N 1 0 394.313 2.991 20 0 GFADRO Cc1ccc(Br)c(S(=O)(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000370233834 563237440 /nfs/dbraw/zinc/23/74/40/563237440.db2.gz SSPCAKCRFSZHPB-ZFWWWQNUSA-N 1 0 387.343 2.910 20 0 GFADRO C[NH+](C)CCn1nccc1NS(=O)(=O)/C=C/c1ccc(Br)cc1 ZINC000295234842 563237518 /nfs/dbraw/zinc/23/75/18/563237518.db2.gz UDJNAYDYBQPZFY-XYOKQWHBSA-N 1 0 399.314 2.620 20 0 GFADRO O=C1CC[C@H]([NH2+]Cc2nc(-c3cccc(Br)c3)c[nH]2)[C@H](C2CC2)N1 ZINC000370263663 563238635 /nfs/dbraw/zinc/23/86/35/563238635.db2.gz ZUNVEFXWXSYWOC-KSSFIOAISA-N 1 0 389.297 2.986 20 0 GFADRO CC(C)(CNC(=O)C(=O)N[C@H]1CC[C@@H](C[NH3+])C1)c1ccc(Cl)c(Cl)c1 ZINC000419353418 563238743 /nfs/dbraw/zinc/23/87/43/563238743.db2.gz CFVGLLNMNXOKAD-YPMHNXCESA-N 1 0 386.323 2.631 20 0 GFADRO CC(C)(CNC(=O)C(=O)N[C@@H]1CC[C@H](C[NH3+])C1)c1ccc(Cl)c(Cl)c1 ZINC000419353417 563238747 /nfs/dbraw/zinc/23/87/47/563238747.db2.gz CFVGLLNMNXOKAD-WCQYABFASA-N 1 0 386.323 2.631 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)NC[C@@H](C)c2c(Cl)cccc2Cl)C1 ZINC000419520431 563241252 /nfs/dbraw/zinc/24/12/52/563241252.db2.gz QGEQCRRHSXJPDD-FRRDWIJNSA-N 1 0 386.323 2.799 20 0 GFADRO C[C@H](Cc1c(Cl)cccc1Cl)NC(=O)C(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000419580696 563242485 /nfs/dbraw/zinc/24/24/85/563242485.db2.gz ZMWIMSYEJOANIV-WQGACYEGSA-N 1 0 386.323 2.674 20 0 GFADRO CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)Cc3ccc(Br)cc3)C2)CC1 ZINC000370421478 563243485 /nfs/dbraw/zinc/24/34/85/563243485.db2.gz AGVPQMIEFWVFGH-GOSISDBHSA-N 1 0 394.357 2.619 20 0 GFADRO C[NH+](C)[C@H]1Cc2ccccc2N(C(=O)Cc2cc[nH]c(=O)c2Br)C1 ZINC000370459557 563245021 /nfs/dbraw/zinc/24/50/21/563245021.db2.gz INWWOQSGUUHIFZ-AWEZNQCLSA-N 1 0 390.281 2.612 20 0 GFADRO C[C@H]1C[C@@H](NC(=O)C2(c3ccc(Br)cc3)CCOCC2)CC[NH2+]1 ZINC000278233347 563245947 /nfs/dbraw/zinc/24/59/47/563245947.db2.gz KLAHFSYTWZVABF-BBRMVZONSA-N 1 0 381.314 2.754 20 0 GFADRO CC(C)(CNC(=O)C(=O)N[C@H]1CC[C@@H](C[NH3+])C1)c1c(Cl)cccc1Cl ZINC000419694733 563246003 /nfs/dbraw/zinc/24/60/03/563246003.db2.gz LEXSWOJISDFQCW-NEPJUHHUSA-N 1 0 386.323 2.631 20 0 GFADRO CN(C)c1ncc(C[NH2+][C@@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)n1C ZINC000419692206 563246209 /nfs/dbraw/zinc/24/62/09/563246209.db2.gz GJAXZHJKYSLCRB-CQSZACIVSA-N 1 0 382.295 2.688 20 0 GFADRO CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)NCc1ccc(F)cc1Br ZINC000370516793 563246259 /nfs/dbraw/zinc/24/62/59/563246259.db2.gz FNFVGQNCQPGQOG-QEORTHHSSA-N 1 0 385.277 2.737 20 0 GFADRO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N[C@H](C)c1ccc(Br)s1 ZINC000419700863 563246727 /nfs/dbraw/zinc/24/67/27/563246727.db2.gz CQYMZFAKSGUWTB-GHMZBOCLSA-N 1 0 390.347 2.520 20 0 GFADRO Cc1c(CNC(=O)C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)sc2ccc(Cl)cc12 ZINC000419705032 563246753 /nfs/dbraw/zinc/24/67/53/563246753.db2.gz IOMZSFCGGZYXNR-DGCLKSJQSA-N 1 0 379.913 2.723 20 0 GFADRO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)C(=O)NCC(C)(C)c1c(Cl)cccc1Cl ZINC000419697743 563246857 /nfs/dbraw/zinc/24/68/57/563246857.db2.gz RMBQEIBKWBLRLR-SMDDNHRTSA-N 1 0 386.323 2.644 20 0 GFADRO CC(=O)CSCC(=O)N(CC[NH+](C)C)Cc1ccc(C(F)(F)F)cc1 ZINC000278260468 563247386 /nfs/dbraw/zinc/24/73/86/563247386.db2.gz CZECAVOKZHHTRU-UHFFFAOYSA-N 1 0 376.444 2.918 20 0 GFADRO C[C@@H](C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1)c1ccc(Br)s1 ZINC000370540504 563247725 /nfs/dbraw/zinc/24/77/25/563247725.db2.gz SRFBQVOSBCTTDF-DGCLKSJQSA-N 1 0 387.343 2.984 20 0 GFADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)Cc1cc(Br)ccc1F ZINC000278290146 563249076 /nfs/dbraw/zinc/24/90/76/563249076.db2.gz BDZOTHANIUDVGM-CYBMUJFWSA-N 1 0 399.304 2.842 20 0 GFADRO CC[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)N[C@H]1CCC[C@@H]1C[NH3+] ZINC000419754390 563249332 /nfs/dbraw/zinc/24/93/32/563249332.db2.gz OSNUBTIIALXRHL-XPKDYRNWSA-N 1 0 386.323 2.674 20 0 GFADRO CCCN(C(=O)C1CCN(C(=O)c2ccc(Cl)s2)CC1)[C@H]1CC[NH2+]C1 ZINC000370593094 563249355 /nfs/dbraw/zinc/24/93/55/563249355.db2.gz LGCJGZJEMJROKA-AWEZNQCLSA-N 1 0 383.945 2.854 20 0 GFADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)Cc1ccc(Br)c(F)c1 ZINC000278342624 563250941 /nfs/dbraw/zinc/25/09/41/563250941.db2.gz CHFHHMRWBHKDBM-ZDUSSCGKSA-N 1 0 399.304 2.842 20 0 GFADRO C[C@@H](O)[C@@H](CO)[NH2+]Cc1cc(Br)ccc1OCc1ccccc1 ZINC000419802402 563251236 /nfs/dbraw/zinc/25/12/36/563251236.db2.gz DEJGRWYEINDNJT-CXAGYDPISA-N 1 0 380.282 2.859 20 0 GFADRO C[C@@H](O)[C@@H](CO)[NH2+]Cc1ccc(OCc2ccccc2)c(Br)c1 ZINC000419817310 563251597 /nfs/dbraw/zinc/25/15/97/563251597.db2.gz RIBJMKVTWTXDGP-CXAGYDPISA-N 1 0 380.282 2.859 20 0 GFADRO CCC[C@H](O)[C@H](CO)[NH2+]Cc1cn(-c2ccc(Br)cc2)nc1C ZINC000419834649 563251610 /nfs/dbraw/zinc/25/16/10/563251610.db2.gz XLYMFXOYXIPQCA-IRXDYDNUSA-N 1 0 382.302 2.555 20 0 GFADRO C[C@@H]1c2cc(Cl)c(Cl)cc2CCN1C(=O)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000419856973 563252418 /nfs/dbraw/zinc/25/24/18/563252418.db2.gz JQNPAQFFFYXNSE-NEPJUHHUSA-N 1 0 384.307 2.555 20 0 GFADRO O=C(CCCc1ccccc1Br)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000370679646 563252417 /nfs/dbraw/zinc/25/24/17/563252417.db2.gz VTEYKHQNTBIVFA-HOTGVXAUSA-N 1 0 381.314 2.751 20 0 GFADRO O=C(NCC[C@@H]1CC[NH2+]C1)C(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000419908413 563252597 /nfs/dbraw/zinc/25/25/97/563252597.db2.gz DTVUXPNEHRHQSC-BLLLJJGKSA-N 1 0 384.307 2.773 20 0 GFADRO O=C(c1cc(Br)c2c(c1)OCCO2)N(C1CC1)C1CC[NH2+]CC1 ZINC000370792818 563255465 /nfs/dbraw/zinc/25/54/65/563255465.db2.gz DXWPBHYVSKCJQC-UHFFFAOYSA-N 1 0 381.270 2.577 20 0 GFADRO Cc1ccc(I)c(C(=O)N(C2CC2)C2CC[NH2+]CC2)c1 ZINC000370787647 563255685 /nfs/dbraw/zinc/25/56/85/563255685.db2.gz OIQHRPUEZUSCTI-UHFFFAOYSA-N 1 0 384.261 2.956 20 0 GFADRO CS(=O)(=O)c1cc(C(=O)N(C2CC2)C2CC[NH2+]CC2)c(Cl)cc1Cl ZINC000370793823 563255830 /nfs/dbraw/zinc/25/58/30/563255830.db2.gz QRPRHQPDRMPJKK-UHFFFAOYSA-N 1 0 391.320 2.754 20 0 GFADRO C[C@H](CC(=O)NC[C@@](C)(O)CC[NH+](C)C)c1ccc(F)c(Br)c1 ZINC000419998072 563256054 /nfs/dbraw/zinc/25/60/54/563256054.db2.gz MMSMZJUOYWZFJU-PXAZEXFGSA-N 1 0 389.309 2.901 20 0 GFADRO C[C@H](c1ccccc1Br)N(C)C(=O)C(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000420012982 563256551 /nfs/dbraw/zinc/25/65/51/563256551.db2.gz BJJVIPOHITYFOJ-DVOMOZLQSA-N 1 0 396.329 2.602 20 0 GFADRO CCC([NH3+])(CC)CNC(=O)C(=O)N(Cc1cccc(Br)c1)C(C)C ZINC000420083344 563258331 /nfs/dbraw/zinc/25/83/31/563258331.db2.gz SQFICRSEBWNTLF-UHFFFAOYSA-N 1 0 398.345 2.820 20 0 GFADRO Cn1ncc(Br)c1CNc1cccc(CN2CC[NH+](C)CC2)c1 ZINC000278502255 563259761 /nfs/dbraw/zinc/25/97/61/563259761.db2.gz NSNJXJNCVMPBNU-UHFFFAOYSA-N 1 0 378.318 2.542 20 0 GFADRO Cc1cc(Br)oc1C(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cnn(C)c1 ZINC000370911114 563259901 /nfs/dbraw/zinc/25/99/01/563259901.db2.gz LBTWEMCTLKUXRR-WFASDCNBSA-N 1 0 395.301 2.897 20 0 GFADRO CN(Cc1ccccc1Br)C(=O)CN1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420411283 563262717 /nfs/dbraw/zinc/26/27/17/563262717.db2.gz YPJUDGUJVIQNCM-QAPCUYQASA-N 1 0 394.357 2.872 20 0 GFADRO C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420370297 563262876 /nfs/dbraw/zinc/26/28/76/563262876.db2.gz LGAFWKZDLKSCCU-KXBFYZLASA-N 1 0 394.357 2.872 20 0 GFADRO C[NH2+]CCCN(C)CC(=O)Nc1ccc(Br)c(C(F)(F)F)c1 ZINC000420383071 563263200 /nfs/dbraw/zinc/26/32/00/563263200.db2.gz BFAUSJSVNZEPIT-UHFFFAOYSA-N 1 0 382.224 2.948 20 0 GFADRO CC[NH+]1CCN(c2cccc(NCc3c(Br)cnn3C)c2)CC1 ZINC000278607881 563263378 /nfs/dbraw/zinc/26/33/78/563263378.db2.gz JHJSFXBNPVPTPT-UHFFFAOYSA-N 1 0 378.318 2.937 20 0 GFADRO O=S(=O)(NCCC[NH2+]C1CC1)c1cc(Cl)c(Br)cc1F ZINC000420443132 563263665 /nfs/dbraw/zinc/26/36/65/563263665.db2.gz AMVYIOYJRWZCIZ-UHFFFAOYSA-N 1 0 385.686 2.662 20 0 GFADRO C[C@H]1[C@@H]([NH3+])CCN1S(=O)(=O)c1ccc(Br)c(C(F)(F)F)c1 ZINC000420433554 563263892 /nfs/dbraw/zinc/26/38/92/563263892.db2.gz QHHDJZZFMMORLQ-CPCISQLKSA-N 1 0 387.221 2.578 20 0 GFADRO [NH3+]CC[C@H](NS(=O)(=O)c1cc(Cl)ccc1OCC1CCC1)C(F)F ZINC000420465937 563264387 /nfs/dbraw/zinc/26/43/87/563264387.db2.gz QYTOCXPVPXUBKE-LBPRGKRZSA-N 1 0 382.860 2.780 20 0 GFADRO C[C@@H]1CCN(S(=O)(=O)c2cccc(Cl)c2Br)C[C@@H]1C[NH3+] ZINC000420481079 563265824 /nfs/dbraw/zinc/26/58/24/563265824.db2.gz QAETZZXRQYCYHA-ZJUUUORDSA-N 1 0 381.723 2.708 20 0 GFADRO C[C@@H]1CCN(S(=O)(=O)c2cc(Br)sc2Cl)C[C@@H]1C[NH3+] ZINC000420484736 563265883 /nfs/dbraw/zinc/26/58/83/563265883.db2.gz YNJNZSKQWDGYMO-SFYZADRCSA-N 1 0 387.752 2.769 20 0 GFADRO C[C@H]1CCN(S(=O)(=O)Cc2ccc(Cl)cc2Br)C[C@H]1C[NH3+] ZINC000420482088 563266187 /nfs/dbraw/zinc/26/61/87/563266187.db2.gz SFOPXBMDDTXGHK-CMPLNLGQSA-N 1 0 395.750 2.849 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]C[C@@H](C)SC ZINC000295901148 563267530 /nfs/dbraw/zinc/26/75/30/563267530.db2.gz ZAPFSOXMGNGNJS-MNOVXSKESA-N 1 0 375.332 2.804 20 0 GFADRO C[C@@H](NC(=O)Cc1cc[nH]c(=O)c1Br)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000278729193 563268222 /nfs/dbraw/zinc/26/82/22/563268222.db2.gz RUJXZNDSQCKKGU-OCCSQVGLSA-N 1 0 396.329 2.861 20 0 GFADRO OC1CCN(CC[NH2+][C@H](c2cccc(Br)c2)C2CCOCC2)CC1 ZINC000295946220 563268825 /nfs/dbraw/zinc/26/88/25/563268825.db2.gz LTDNYYGTGUSRBW-IBGZPJMESA-N 1 0 397.357 2.963 20 0 GFADRO C[C@H]1CN(C(=O)c2ccc(F)cc2Br)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000371216640 563269228 /nfs/dbraw/zinc/26/92/28/563269228.db2.gz AMKROZQMEDSRKS-SUMWQHHRSA-N 1 0 398.320 2.686 20 0 GFADRO O=S(=O)(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1cc(Cl)ccc1OC(F)F ZINC000420649895 563269629 /nfs/dbraw/zinc/26/96/29/563269629.db2.gz DUFNFAGOGIMOTP-NEPJUHHUSA-N 1 0 380.844 2.847 20 0 GFADRO Cn1ncc(Br)c1CNC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000278796330 563270249 /nfs/dbraw/zinc/27/02/49/563270249.db2.gz RCCNWNSPRIQXSB-MRXNPFEDSA-N 1 0 393.329 2.563 20 0 GFADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)COc1ccc(Br)cc1 ZINC000278821030 563272222 /nfs/dbraw/zinc/27/22/22/563272222.db2.gz IMTKUTFHDMSAKE-AWEZNQCLSA-N 1 0 397.313 2.540 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]C[C@@]1(O)CCC[C@H]1C ZINC000296029661 563272282 /nfs/dbraw/zinc/27/22/82/563272282.db2.gz NCULQVQMGXYWMQ-VBHSOAQHSA-N 1 0 399.329 2.603 20 0 GFADRO C[C@H](CCNS(=O)(=O)c1cc(F)ccc1OC(F)F)[NH+]1CCCCC1 ZINC000420683020 563273721 /nfs/dbraw/zinc/27/37/21/563273721.db2.gz BLBPFOXPHNRSIF-GFCCVEGCSA-N 1 0 380.432 2.970 20 0 GFADRO C[C@H](Cc1ccccc1Br)NC(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000278916893 563275859 /nfs/dbraw/zinc/27/58/59/563275859.db2.gz CPEPFVBGWPQKKK-YPMHNXCESA-N 1 0 377.286 2.610 20 0 GFADRO O=C(NC1CC[NH+](C2CCC2)CC1)c1nc(C2CC2)ncc1Br ZINC000296157344 563276729 /nfs/dbraw/zinc/27/67/29/563276729.db2.gz AMFFGYFPOBUPMS-UHFFFAOYSA-N 1 0 379.302 2.863 20 0 GFADRO CCCN(CC[NH+]1CCCC1)S(=O)(=O)c1cc(F)ccc1OC(F)F ZINC000420709824 563277598 /nfs/dbraw/zinc/27/75/98/563277598.db2.gz LREVFSPZNHJDFQ-UHFFFAOYSA-N 1 0 380.432 2.924 20 0 GFADRO Cc1cn2c(n1)CC[C@H]([NH2+][C@@H](C)C(=O)Nc1cccc(Br)c1)C2 ZINC000371490068 563279325 /nfs/dbraw/zinc/27/93/25/563279325.db2.gz CKCRYWWOVNIXEW-WFASDCNBSA-N 1 0 377.286 2.886 20 0 GFADRO [NH3+]Cc1ccc2c(c1)CCCN2S(=O)(=O)c1c[nH]c2nccc(Cl)c12 ZINC000371559491 563281540 /nfs/dbraw/zinc/28/15/40/563281540.db2.gz INPPPKZRAKYOSU-UHFFFAOYSA-N 1 0 376.869 2.817 20 0 GFADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)c3c(F)ccc(C)c3Br)C2)CC1 ZINC000279090881 563283788 /nfs/dbraw/zinc/28/37/88/563283788.db2.gz SZFORTZKPDZHTE-CQSZACIVSA-N 1 0 398.320 2.749 20 0 GFADRO Cc1ccc(F)c(C(=O)N2CC[NH+](C3CCOCC3)CC2)c1Br ZINC000279117285 563284353 /nfs/dbraw/zinc/28/43/53/563284353.db2.gz ZIHGFYDCNIQEMU-UHFFFAOYSA-N 1 0 385.277 2.833 20 0 GFADRO O=S(=O)(CCO)c1ccc(C[NH2+][C@@H]2CCCc3nc(Cl)ccc32)cc1 ZINC000296415984 563286445 /nfs/dbraw/zinc/28/64/45/563286445.db2.gz LETLETCTXJNAPO-MRXNPFEDSA-N 1 0 380.897 2.668 20 0 GFADRO O=Cc1ccc(OCC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)c(Br)c1 ZINC000371779540 563287504 /nfs/dbraw/zinc/28/75/04/563287504.db2.gz AMQWYZNUJVZUNE-OAHLLOKOSA-N 1 0 395.297 2.585 20 0 GFADRO Cc1ccc(NC(=O)[C@@H](C)N2CCC3(CC2)SCC(=O)N3C)c(Cl)c1 ZINC000371787621 563287508 /nfs/dbraw/zinc/28/75/08/563287508.db2.gz CWZZGMJDTCYVER-CYBMUJFWSA-N 1 0 381.929 2.973 20 0 GFADRO CN1CC[NH+](C2(C(=O)NCCc3ccc(Br)cc3)CCCC2)CC1 ZINC000371814641 563288238 /nfs/dbraw/zinc/28/82/38/563288238.db2.gz MUCJXPTYLOVIAK-UHFFFAOYSA-N 1 0 394.357 2.668 20 0 GFADRO CC(C)C[C@H]([NH2+]C[C@@]1(O)CCS(=O)(=O)C1)c1cccc(Br)c1 ZINC000296502331 563289853 /nfs/dbraw/zinc/28/98/53/563289853.db2.gz PBVRENXQUOZNLJ-HOTGVXAUSA-N 1 0 390.343 2.676 20 0 GFADRO C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+]1C[C@H](C)C[C@H](CO)C1 ZINC000420931419 563291426 /nfs/dbraw/zinc/29/14/26/563291426.db2.gz DHOLGJTVHSYIHQ-YCPHGPKFSA-N 1 0 383.330 2.746 20 0 GFADRO CC[C@@H]([NH2+][C@@H](CC)c1ccc(Cl)c(S(=O)(=O)NC)c1)[C@@H](O)C(F)F ZINC000296532709 563291547 /nfs/dbraw/zinc/29/15/47/563291547.db2.gz QNYGEUHJTNXGOM-OUCADQQQSA-N 1 0 384.876 2.693 20 0 GFADRO C[C@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000296569937 563292770 /nfs/dbraw/zinc/29/27/70/563292770.db2.gz SWGLZCLRRKOZIT-YEJSDXFRSA-N 1 0 392.352 2.917 20 0 GFADRO CC1(C)NC(=O)N(CC[N@@H+]2CCC[C@@H]2Cc2ccccc2Br)C1=O ZINC000420982291 563292933 /nfs/dbraw/zinc/29/29/33/563292933.db2.gz ZMHJCUIQDGEDRY-CQSZACIVSA-N 1 0 394.313 2.786 20 0 GFADRO NC(=O)NC(=O)CCC[N@@H+]1CCCC[C@H]1Cc1cccc(Br)c1 ZINC000421034629 563294230 /nfs/dbraw/zinc/29/42/30/563294230.db2.gz HGMYRMHYNBUJLD-HNNXBMFYSA-N 1 0 382.302 2.821 20 0 GFADRO O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)c1[nH]c2ccccc2c1Br ZINC000372110352 563295456 /nfs/dbraw/zinc/29/54/56/563295456.db2.gz CIPMTYBRFBNHGR-ZDUSSCGKSA-N 1 0 392.297 2.914 20 0 GFADRO [NH3+][C@@H]1CN(S(=O)(=O)c2ccccc2Br)C[C@H]1c1ccc(F)cc1 ZINC000372178947 563297645 /nfs/dbraw/zinc/29/76/45/563297645.db2.gz NEHGRIDYBUMKKW-DZGCQCFKSA-N 1 0 399.285 2.704 20 0 GFADRO [NH3+][C@@H]1CN(S(=O)(=O)c2cnc3ccsc3c2)C[C@H]1c1ccc(F)cc1 ZINC000372179520 563297979 /nfs/dbraw/zinc/29/79/79/563297979.db2.gz NYUPNAFVDPCNBQ-LSDHHAIUSA-N 1 0 377.466 2.551 20 0 GFADRO Cc1ccnc(-c2n[nH]c([C@H](C)[NH2+][C@H](C)Cn3cc(Br)cn3)n2)c1 ZINC000279617683 563303617 /nfs/dbraw/zinc/30/36/17/563303617.db2.gz YAJSVJZRAYWSMW-NEPJUHHUSA-N 1 0 390.289 2.873 20 0 GFADRO CS(=O)(=O)C1(C[NH2+]Cc2cc(Cl)ccc2OCc2cccnc2)CC1 ZINC000279646875 563304752 /nfs/dbraw/zinc/30/47/52/563304752.db2.gz KAANHEGVZRMQRY-UHFFFAOYSA-N 1 0 380.897 2.981 20 0 GFADRO O=C(NCCCCn1cc(Br)cn1)NCCC[NH+]1CCCCC1 ZINC000279676874 563305492 /nfs/dbraw/zinc/30/54/92/563305492.db2.gz DLNAJGKPJVJWED-UHFFFAOYSA-N 1 0 386.338 2.601 20 0 GFADRO Cc1cc(NC(=O)C(=O)N(C)C[C@@H]2CCC[N@@H+]2C)cc(C)c1Br ZINC000421305171 563306740 /nfs/dbraw/zinc/30/67/40/563306740.db2.gz UVYUNAXSGGJZKL-AWEZNQCLSA-N 1 0 382.302 2.557 20 0 GFADRO Cc1nc(NC(=O)NC[C@H]2CCC[C@@H]2[NH+]2CCOCC2)ccc1Br ZINC000372487580 563308394 /nfs/dbraw/zinc/30/83/94/563308394.db2.gz QUTSGAKYOHSWIZ-HIFRSBDPSA-N 1 0 397.317 2.775 20 0 GFADRO C[C@H]1C[C@@H](CO)C[N@H+](Cc2ccc(Br)cc2N2CCOCC2)C1 ZINC000421362957 563308964 /nfs/dbraw/zinc/30/89/64/563308964.db2.gz OMAWCTGCHVRFSM-LSDHHAIUSA-N 1 0 383.330 2.736 20 0 GFADRO COCCC[N@@H+]1CCCN(C(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000372634536 563312747 /nfs/dbraw/zinc/31/27/47/563312747.db2.gz WRVZTEYLHKXUMJ-UHFFFAOYSA-N 1 0 388.295 2.503 20 0 GFADRO C[NH+](C)[C@H]1CCOc2c(NC(=O)c3ccc(S(C)(=O)=O)s3)cccc21 ZINC000421565436 563314318 /nfs/dbraw/zinc/31/43/18/563314318.db2.gz VJNIKUUFBBFBSP-ZDUSSCGKSA-N 1 0 380.491 2.789 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCN(CCN2CCOCC2)C1)c1ccc(Br)s1 ZINC000372787272 563317470 /nfs/dbraw/zinc/31/74/70/563317470.db2.gz XGBHJTXHAKCAJC-UONOGXRCSA-N 1 0 388.375 2.568 20 0 GFADRO O=C(CC[N@@H+]1CCCC[C@@H]1[C@@H]1CNC(=O)C1)Nc1cccc(Br)c1 ZINC000372854106 563319208 /nfs/dbraw/zinc/31/92/08/563319208.db2.gz CNBKJSWOOPJEBL-XJKSGUPXSA-N 1 0 394.313 2.768 20 0 GFADRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)c1ccn(-c2ccc(Br)cc2)n1 ZINC000421712071 563319629 /nfs/dbraw/zinc/31/96/29/563319629.db2.gz PUROPESEOIXFSR-HNNXBMFYSA-N 1 0 377.286 2.801 20 0 GFADRO O=S1(=O)CC[C@@]2(C1)C[C@H]([NH2+]Cc1ccc(F)c(Cl)c1Cl)CCO2 ZINC000372876926 563320796 /nfs/dbraw/zinc/32/07/96/563320796.db2.gz KSHBNSRLAZIISR-ABAIWWIYSA-N 1 0 382.284 2.958 20 0 GFADRO C[C@H](Cc1ccc(F)cc1Cl)[NH2+]C[C@@H](O)CS(=O)(=O)c1cccs1 ZINC000421839874 563322407 /nfs/dbraw/zinc/32/24/07/563322407.db2.gz YTTRVDJSBVFBHH-BXUZGUMPSA-N 1 0 391.917 2.896 20 0 GFADRO C[C@H](Cn1cccn1)[NH2+][C@@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000280140288 563324313 /nfs/dbraw/zinc/32/43/13/563324313.db2.gz PQNQPVWZOLJVAQ-ZJUUUORDSA-N 1 0 377.297 2.577 20 0 GFADRO C[C@@H]([NH2+]CCCn1ccnc1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000280156290 563324756 /nfs/dbraw/zinc/32/47/56/563324756.db2.gz QLFWQHLUSJUWFJ-SNVBAGLBSA-N 1 0 377.297 2.578 20 0 GFADRO Cc1nc2ccc(Br)cn2c1C(=O)N1CC[C@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000372986331 563324924 /nfs/dbraw/zinc/32/49/24/563324924.db2.gz ZNGCJUHSRKWGGX-TZMCWYRMSA-N 1 0 377.286 2.571 20 0 GFADRO COc1ccc(S(=O)(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)c(Br)c1 ZINC000280163344 563325030 /nfs/dbraw/zinc/32/50/30/563325030.db2.gz CDLVSDQTTZJASS-NEPJUHHUSA-N 1 0 391.331 2.561 20 0 GFADRO OC[C@H](C[NH2+]Cc1cc(Br)ccc1OC(F)F)[C@H]1CCOC1 ZINC000280177169 563325718 /nfs/dbraw/zinc/32/57/18/563325718.db2.gz BYYZQIAAGOUDHV-JQWIXIFHSA-N 1 0 380.229 2.785 20 0 GFADRO OC1(C[NH+]2CCOCC2)CCN(CCOc2cc(Cl)ccc2Cl)CC1 ZINC000373112580 563329197 /nfs/dbraw/zinc/32/91/97/563329197.db2.gz MJZUUKXCRVQEDS-UHFFFAOYSA-N 1 0 389.323 2.531 20 0 GFADRO COc1ccc(CNC(=O)Nc2ccnn2CC[NH+](C)C)cc1Br ZINC000297587777 563330397 /nfs/dbraw/zinc/33/03/97/563330397.db2.gz ZAECAGOLJSLBPN-UHFFFAOYSA-N 1 0 396.289 2.538 20 0 GFADRO COc1cc(Br)c(C[NH2+][C@H]2CCO[C@]3(CCOC3)C2)c(OC)c1 ZINC000373153198 563330340 /nfs/dbraw/zinc/33/03/40/563330340.db2.gz LTCKGUIYYKNGOX-YVEFUNNKSA-N 1 0 386.286 2.894 20 0 GFADRO C[C@H](CC[S@@](C)=O)[NH2+]Cc1c(F)ccc(I)c1F ZINC000280355311 563333351 /nfs/dbraw/zinc/33/33/51/563333351.db2.gz RPCHZXFERIMONH-NTCNTBNZSA-N 1 0 387.233 2.816 20 0 GFADRO CN1CC[NH+](C[C@@H]2CCCN(C(=O)[C@@H]3C[C@H]3c3ccc(Cl)s3)C2)CC1 ZINC000373264770 563333503 /nfs/dbraw/zinc/33/35/03/563333503.db2.gz RCSSXXMNRJXLKO-ARFHVFGLSA-N 1 0 381.973 2.991 20 0 GFADRO CCS(=O)(=O)c1ccc(C[NH2+][C@@H]2CCN(C[C@H]3CCCO3)C[C@@H]2C)s1 ZINC000373486943 563339927 /nfs/dbraw/zinc/33/99/27/563339927.db2.gz UMJCLHTWDTVZPI-ZMSDIMECSA-N 1 0 386.583 2.521 20 0 GFADRO Cn1ccnc1N1CCC(NC(=O)c2c(F)ccc(Br)c2F)CC1 ZINC000373516889 563340569 /nfs/dbraw/zinc/34/05/69/563340569.db2.gz UDZHJPXSHAWDSD-UHFFFAOYSA-N 1 0 399.239 2.860 20 0 GFADRO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000422490811 563340775 /nfs/dbraw/zinc/34/07/75/563340775.db2.gz SELVOWRTPNHMDD-CYBMUJFWSA-N 1 0 386.323 2.800 20 0 GFADRO CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+][C@@H](CO)c2ccccc2OC(F)(F)F)C1 ZINC000280514824 563341207 /nfs/dbraw/zinc/34/12/07/563341207.db2.gz NUIZTNBKVAQYIX-SCRDCRAPSA-N 1 0 381.416 2.564 20 0 GFADRO C[C@H](N[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000373560062 563342016 /nfs/dbraw/zinc/34/20/16/563342016.db2.gz HNVPJBLVVMEWDZ-SRVKXCTJSA-N 1 0 392.352 2.918 20 0 GFADRO CCOC(=O)c1cc(Cl)cc(S(=O)(=O)N2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)c1 ZINC000422551376 563342575 /nfs/dbraw/zinc/34/25/75/563342575.db2.gz DPJPCDMBHYOOJE-DYEKYZERSA-N 1 0 388.917 2.511 20 0 GFADRO CC(C)(CC[NH3+])NS(=O)(=O)c1cccc(COCC(F)(F)C(F)F)c1 ZINC000422554410 563342823 /nfs/dbraw/zinc/34/28/23/563342823.db2.gz MKTZZGXKWAECQB-UHFFFAOYSA-N 1 0 386.411 2.509 20 0 GFADRO C[C@H](Cc1ccc(Br)cc1)[NH2+]C[C@@H]1CCC[C@]12NC(=O)N(C)C2=O ZINC000373615409 563343835 /nfs/dbraw/zinc/34/38/35/563343835.db2.gz JFVWGYCZBZWSCF-IAISJRAMSA-N 1 0 394.313 2.690 20 0 GFADRO CCOc1cc(C[NH2+][C@H](CO)C[C@@H](O)C(C)(C)C)cc(Br)c1O ZINC000298169332 563346874 /nfs/dbraw/zinc/34/68/74/563346874.db2.gz UCCPSFIUTCKAFD-SWLSCSKDSA-N 1 0 390.318 2.801 20 0 GFADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)c3cnnn3-c3c(Cl)cccc3Cl)C[C@H]21 ZINC000373703129 563347649 /nfs/dbraw/zinc/34/76/49/563347649.db2.gz SOUHHLAUERZYHB-IAQYHMDHSA-N 1 0 380.279 2.740 20 0 GFADRO C[C@@H](C[C@H]1COCCN1)[NH2+]CC1(c2ccc(Br)cc2)CCOCC1 ZINC000422884411 563350148 /nfs/dbraw/zinc/35/01/48/563350148.db2.gz WULOCDPMHPMSDJ-YJBOKZPZSA-N 1 0 397.357 2.854 20 0 GFADRO Brc1cccc(N2CC[C@H](C[NH2+][C@H](C3CC3)[C@@H]3CNCCO3)C2)c1 ZINC000422898882 563350162 /nfs/dbraw/zinc/35/01/62/563350162.db2.gz NEDLILHYQQNXHF-MDASCCDHSA-N 1 0 394.357 2.632 20 0 GFADRO CC1=C(Br)CN(C(=O)NC[C@H]2CCC[C@@H]2[NH+]2CCOCC2)CC1 ZINC000373771336 563350441 /nfs/dbraw/zinc/35/04/41/563350441.db2.gz MFMAQYLJBONQAQ-ZBFHGGJFSA-N 1 0 386.334 2.572 20 0 GFADRO C[N@@H+]1CCC[C@H]1C(=O)N[C@H](CO)c1ccc(Br)cc1C(F)(F)F ZINC000280708781 563350757 /nfs/dbraw/zinc/35/07/57/563350757.db2.gz XTZZWOVPQRWMHO-OLZOCXBDSA-N 1 0 395.219 2.712 20 0 GFADRO Cc1csc(C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)c1Br ZINC000373801848 563352115 /nfs/dbraw/zinc/35/21/15/563352115.db2.gz UNCFOSXNBBOWOZ-CYBMUJFWSA-N 1 0 386.359 2.671 20 0 GFADRO CC(C)(CO)[C@H]([NH2+]CCC(=O)Nc1sccc1C(N)=O)c1cccs1 ZINC000298368856 563352509 /nfs/dbraw/zinc/35/25/09/563352509.db2.gz CUYYZVUNXHWIAM-CQSZACIVSA-N 1 0 381.523 2.587 20 0 GFADRO C[NH2+][C@H]1CCCN(C(=O)C(=O)N(Cc2cccs2)Cc2cccs2)C1 ZINC000423010935 563352508 /nfs/dbraw/zinc/35/25/08/563352508.db2.gz AIZUDBYWVODRHQ-AWEZNQCLSA-N 1 0 377.535 2.549 20 0 GFADRO CO[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000280773881 563353123 /nfs/dbraw/zinc/35/31/23/563353123.db2.gz RQXMMWXHXWOGFX-DDTOSNHZSA-N 1 0 391.331 2.705 20 0 GFADRO CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000423013224 563353284 /nfs/dbraw/zinc/35/32/84/563353284.db2.gz MHOGNBZEGHEYRU-KBPBESRZSA-N 1 0 383.945 2.598 20 0 GFADRO CC1(C)CN(C(=O)C(=O)N(Cc2cccs2)Cc2cccs2)CC[NH2+]1 ZINC000423014612 563353518 /nfs/dbraw/zinc/35/35/18/563353518.db2.gz JAZNPRQROCFTCO-UHFFFAOYSA-N 1 0 377.535 2.549 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCCSC1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000280776195 563353940 /nfs/dbraw/zinc/35/39/40/563353940.db2.gz RZBVALRDGDMHNF-GXSJLCMTSA-N 1 0 379.345 2.643 20 0 GFADRO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N[C@H](C)c1ccc(Br)cn1 ZINC000280788020 563354907 /nfs/dbraw/zinc/35/49/07/563354907.db2.gz HIRDOWATTGRJQC-WBMJQRKESA-N 1 0 384.318 2.815 20 0 GFADRO C[NH2+]C[C@H]1CCCN(C(=O)C(=O)N(C)[C@@H](C)c2ccc(Cl)c(Cl)c2)C1 ZINC000423116982 563356165 /nfs/dbraw/zinc/35/61/65/563356165.db2.gz SHXQKYOUBQBFCM-QWHCGFSZSA-N 1 0 386.323 2.971 20 0 GFADRO Cc1ccc(F)c(NC(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)c1Br ZINC000280833356 563356777 /nfs/dbraw/zinc/35/67/77/563356777.db2.gz WEOXQRHNPWBVOT-STQMWFEESA-N 1 0 398.276 2.578 20 0 GFADRO C[C@H]([NH2+]C[C@@H](CO)Cc1cc(F)cc(Br)c1)c1cnccc1N ZINC000423167189 563357864 /nfs/dbraw/zinc/35/78/64/563357864.db2.gz DSJMEFVTNHKVEU-AAEUAGOBSA-N 1 0 382.277 2.898 20 0 GFADRO [NH3+]CC1CCN(C(=O)C(=O)N(Cc2ccc(Cl)c(Cl)c2)C2CC2)CC1 ZINC000423172466 563357870 /nfs/dbraw/zinc/35/78/70/563357870.db2.gz TTYKDIHJBVUMCC-UHFFFAOYSA-N 1 0 384.307 2.682 20 0 GFADRO O[C@@H](COc1ccc(F)cc1)C[NH+]1CCC(n2cc(Br)cn2)CC1 ZINC000374011023 563358422 /nfs/dbraw/zinc/35/84/22/563358422.db2.gz SXYVEOQJOCUSPQ-MRXNPFEDSA-N 1 0 398.276 2.862 20 0 GFADRO CCn1ccnc1[C@@H](NCCC[NH3+])c1ccc(I)cc1 ZINC000423177636 563358435 /nfs/dbraw/zinc/35/84/35/563358435.db2.gz AZNMDABTSBMREO-AWEZNQCLSA-N 1 0 384.265 2.535 20 0 GFADRO C[C@H](N[C@@H](C)[C@@H]1CCC[NH2+]C1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000423211934 563358584 /nfs/dbraw/zinc/35/85/84/563358584.db2.gz HXEGAGUOJFIDIW-GARJFASQSA-N 1 0 380.341 2.680 20 0 GFADRO CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)N1CCC[C@@H](C[NH2+]C)C1 ZINC000423174752 563358606 /nfs/dbraw/zinc/35/86/06/563358606.db2.gz CSEVHPIYEHTAAY-AWEZNQCLSA-N 1 0 386.323 2.800 20 0 GFADRO [NH3+][C@@H](CC1CCCCC1)C(=O)NC[C@@H](O)COc1ccccc1Br ZINC000423254506 563359597 /nfs/dbraw/zinc/35/95/97/563359597.db2.gz YGUMXUWTZKSNDP-ZBFHGGJFSA-N 1 0 399.329 2.603 20 0 GFADRO O=C(CC[N@@H+]1CCC[C@@H](c2nnc[nH]2)C1)Nc1cccc(Br)c1 ZINC000374052346 563359650 /nfs/dbraw/zinc/35/96/50/563359650.db2.gz CTOLNEMEHDGZNR-GFCCVEGCSA-N 1 0 378.274 2.775 20 0 GFADRO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)C1(c2cccc(Br)c2)CC(=O)C1 ZINC000280906856 563360068 /nfs/dbraw/zinc/36/00/68/563360068.db2.gz IDJKNZNEGHEGTL-CYBMUJFWSA-N 1 0 391.309 2.650 20 0 GFADRO O[C@H](COc1cc(Cl)ccc1Cl)C[N@@H+]1CCC[C@@H]1[C@H]1COCC[C@H]1O ZINC000374075292 563360502 /nfs/dbraw/zinc/36/05/02/563360502.db2.gz RUZVMIHGTKWREI-XOSAIJSUSA-N 1 0 390.307 2.595 20 0 GFADRO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000298674306 563363218 /nfs/dbraw/zinc/36/32/18/563363218.db2.gz XRFGESVLWUQDGO-GOSISDBHSA-N 1 0 384.307 2.506 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C(=O)N[C@H]1CC[NH2+]C1(C)C ZINC000423704332 563363595 /nfs/dbraw/zinc/36/35/95/563363595.db2.gz DZDIQHPMYUFONQ-HNNXBMFYSA-N 1 0 377.286 2.814 20 0 GFADRO CC(C)[C@H](C(=O)NCc1noc(-c2cccc(Br)c2)n1)[C@H](C)[NH3+] ZINC000423932860 563364276 /nfs/dbraw/zinc/36/42/76/563364276.db2.gz UBKRKJCZVZRCKI-HZMBPMFUSA-N 1 0 381.274 2.735 20 0 GFADRO C[C@H](c1ccccc1Br)N(C)C(=O)c1cn(CCCC[NH3+])nn1 ZINC000423871624 563364361 /nfs/dbraw/zinc/36/43/61/563364361.db2.gz FALWCOYPSGLXGK-GFCCVEGCSA-N 1 0 380.290 2.613 20 0 GFADRO C[C@@]1(C2CC[NH+](CCOc3cc(Cl)ccc3Cl)CC2)NC(=O)NC1=O ZINC000374202421 563364598 /nfs/dbraw/zinc/36/45/98/563364598.db2.gz RVFJRAVUOJDFGA-KRWDZBQOSA-N 1 0 386.279 2.682 20 0 GFADRO CN(C(=O)c1ccc(I)cc1Cl)[C@H](C[NH3+])C1CC1 ZINC000423966300 563365872 /nfs/dbraw/zinc/36/58/72/563365872.db2.gz YVMUZEMINJBKID-GFCCVEGCSA-N 1 0 378.641 2.754 20 0 GFADRO COc1ccc(Br)cc1CC(=O)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000423976202 563366480 /nfs/dbraw/zinc/36/64/80/563366480.db2.gz ONJQPTYOUKEIBK-CJNGLKHVSA-N 1 0 381.314 2.991 20 0 GFADRO [NH3+]Cc1cn([C@H]2CCCN(C(=O)CCc3ccc(Cl)c(Cl)c3)C2)nn1 ZINC000423994721 563366570 /nfs/dbraw/zinc/36/65/70/563366570.db2.gz CRPWXTPPGPMVKS-AWEZNQCLSA-N 1 0 382.295 2.840 20 0 GFADRO C[C@H]1CCN(C(=O)c2ccn(-c3cccc(Br)c3)n2)C[C@H]1C[NH3+] ZINC000424010864 563366903 /nfs/dbraw/zinc/36/69/03/563366903.db2.gz ISVZDGWOLSYZOG-QWHCGFSZSA-N 1 0 377.286 2.692 20 0 GFADRO CN(C(=O)C1(c2cccc(Br)c2)CC(=O)C1)C1CC[NH+](C)CC1 ZINC000281107635 563366967 /nfs/dbraw/zinc/36/69/67/563366967.db2.gz GPCHPIRCFAINKL-UHFFFAOYSA-N 1 0 379.298 2.602 20 0 GFADRO C[C@@H]1CCN(C(=O)c2ccc(S(=O)(=O)c3ccccc3)s2)C[C@@H]1C[NH3+] ZINC000424030245 563367996 /nfs/dbraw/zinc/36/79/96/563367996.db2.gz ZUACAACBACNOHE-KGLIPLIRSA-N 1 0 378.519 2.638 20 0 GFADRO C[C@@H]([NH2+][C@@H](C)c1ccc(Br)cn1)c1ccc(S(N)(=O)=O)cc1 ZINC000281232138 563370795 /nfs/dbraw/zinc/37/07/95/563370795.db2.gz UTVYJTSJIGRYHS-MNOVXSKESA-N 1 0 384.299 2.903 20 0 GFADRO CS(=O)(=O)CCCC[NH2+]Cc1cnn(-c2ccc(C(F)(F)F)cc2)c1 ZINC000424171669 563372241 /nfs/dbraw/zinc/37/22/41/563372241.db2.gz MMHUMIYDMPRIPY-UHFFFAOYSA-N 1 0 375.416 2.806 20 0 GFADRO CS(=O)(=O)CCCC[NH2+]Cc1nc(-c2cccc(Br)c2)c[nH]1 ZINC000424174664 563372258 /nfs/dbraw/zinc/37/22/58/563372258.db2.gz RZIPPXDMIOZKMI-UHFFFAOYSA-N 1 0 386.315 2.754 20 0 GFADRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N(C)C[C@H](O)c1cccc(Br)c1 ZINC000299067853 563374422 /nfs/dbraw/zinc/37/44/22/563374422.db2.gz VGWMPTBYTQVRBR-JLZZUVOBSA-N 1 0 396.329 2.607 20 0 GFADRO C[C@H]1CC2(CN1C(=O)COc1ccc(F)cc1Br)CC[NH2+]CC2 ZINC000424228602 563374765 /nfs/dbraw/zinc/37/47/65/563374765.db2.gz XGLOMBUQSKJRSD-LBPRGKRZSA-N 1 0 385.277 2.958 20 0 GFADRO COC(=O)c1cc(NC(=O)N[C@@H]2CCCC[C@H]2[NH3+])cc(Br)c1F ZINC000424419202 563378910 /nfs/dbraw/zinc/37/89/10/563378910.db2.gz QWKDDOLLLDHHQG-VXGBXAGGSA-N 1 0 388.237 2.766 20 0 GFADRO C[C@H]1CC2(CN1C(=O)C(=O)NCc1ccc(Cl)cc1Cl)CC[NH2+]CC2 ZINC000424530481 563380726 /nfs/dbraw/zinc/38/07/26/563380726.db2.gz VRSMTVPVCKYBNO-LBPRGKRZSA-N 1 0 384.307 2.600 20 0 GFADRO C[C@H]1CC2(CN1C(=O)C(=O)NCc1cc(Cl)sc1Cl)CC[NH2+]CC2 ZINC000424534725 563380808 /nfs/dbraw/zinc/38/08/08/563380808.db2.gz ZMIYXZLTYZMIRU-JTQLQIEISA-N 1 0 390.336 2.662 20 0 GFADRO O=C1[C@H]([NH2+]Cc2cnc3cnccn23)CCN1c1ccc(Cl)c(Cl)c1 ZINC000374901848 563385390 /nfs/dbraw/zinc/38/53/90/563385390.db2.gz XIYCWPNJMVOIHJ-OAHLLOKOSA-N 1 0 376.247 2.931 20 0 GFADRO CC[N@H+](C)C[C@H]1CCN(C(=O)Cc2noc3ccc(Br)cc32)C1 ZINC000424686474 563387210 /nfs/dbraw/zinc/38/72/10/563387210.db2.gz ARODFTDTOGSFMN-GFCCVEGCSA-N 1 0 380.286 2.933 20 0 GFADRO O=C(Nc1ccc2c(c1F)CC[NH2+]C2)c1cc(I)c[nH]1 ZINC000375070016 563389712 /nfs/dbraw/zinc/38/97/12/563389712.db2.gz DUTJBNRMYORAKB-UHFFFAOYSA-N 1 0 385.180 2.656 20 0 GFADRO O=S(=O)(NCc1cnc2n1CCCC2)c1ccc(Br)s1 ZINC000375102803 563390107 /nfs/dbraw/zinc/39/01/07/563390107.db2.gz BZPPOTAWRZGGNP-UHFFFAOYSA-N 1 0 376.301 2.522 20 0 GFADRO CS[C@@H]1CN(C(=O)Cc2noc3ccc(Br)cc32)C[C@@H]1[NH+](C)C ZINC000424758762 563390816 /nfs/dbraw/zinc/39/08/16/563390816.db2.gz VNMHLBFZEKTAQE-DZGCQCFKSA-N 1 0 398.326 2.637 20 0 GFADRO COc1ncc(C(=O)N2CC[N@@H+]([C@@H]3C[C@@H]3C)C[C@H](C)C2)cc1Br ZINC000424849320 563394707 /nfs/dbraw/zinc/39/47/07/563394707.db2.gz OXBVFTSVFBIZLZ-SLEUVZQESA-N 1 0 382.302 2.655 20 0 GFADRO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCc1cc(Cl)cc(I)c1 ZINC000424897376 563396889 /nfs/dbraw/zinc/39/68/89/563396889.db2.gz QYJBSPAOYMNNNM-NOZJJQNGSA-N 1 0 392.668 2.759 20 0 GFADRO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[NH2+][C@@H]1CCC(=O)N[C@H]1C1CC1 ZINC000375332795 563399755 /nfs/dbraw/zinc/39/97/55/563399755.db2.gz DFNNGGYOEMBCOG-QAPCUYQASA-N 1 0 384.307 2.599 20 0 GFADRO C[N@@H+]1C[C@@H]2CCCN(C(=O)Cc3noc4ccc(Br)cc43)[C@@H]2C1 ZINC000425066221 563402565 /nfs/dbraw/zinc/40/25/65/563402565.db2.gz NWCWFAIDTMFBIJ-XHDPSFHLSA-N 1 0 378.270 2.685 20 0 GFADRO CN(CC[NH+](C)C)c1ccc(Br)cc1NC(=O)COC(F)F ZINC000425095048 563403824 /nfs/dbraw/zinc/40/38/24/563403824.db2.gz ABOIBRJRAJWLIS-UHFFFAOYSA-N 1 0 380.233 2.625 20 0 GFADRO CN(CC[NH+](C)C)c1ccc(Br)cc1NC(=O)[C@@H]1C[C@@]12CCOC2 ZINC000425098885 563404773 /nfs/dbraw/zinc/40/47/73/563404773.db2.gz MWYCAMRHNBPZGY-KBXCAEBGSA-N 1 0 396.329 2.812 20 0 GFADRO O=C1O[C@H](C[NH+]2CCC(Cn3cc(Br)cn3)CC2)CC12CCC2 ZINC000375455709 563405599 /nfs/dbraw/zinc/40/55/99/563405599.db2.gz FEZZAFMNKCIJHR-HNNXBMFYSA-N 1 0 382.302 2.843 20 0 GFADRO C[C@@H]1C[N@H+](Cc2cnc(-c3cccs3)s2)C[C@H]1C(=O)N1CCOCC1 ZINC000375520243 563408394 /nfs/dbraw/zinc/40/83/94/563408394.db2.gz TXQLICBXQWOABB-UKRRQHHQSA-N 1 0 377.535 2.798 20 0 GFADRO C[C@@H]1C[C@H](Nc2cnn(C)c(=O)c2Br)C[N@@H+]1Cc1ccccc1 ZINC000301640865 563408794 /nfs/dbraw/zinc/40/87/94/563408794.db2.gz YRARZPQDYTXYHH-OCCSQVGLSA-N 1 0 377.286 2.618 20 0 GFADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)C1(c2cc(F)cc(Br)c2)CC1 ZINC000375710201 563415615 /nfs/dbraw/zinc/41/56/15/563415615.db2.gz JQKWAVPRPZFCHO-HOTGVXAUSA-N 1 0 397.288 2.599 20 0 GFADRO COC(=O)c1sc(NC[C@@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)nc1Cl ZINC000301895009 563415697 /nfs/dbraw/zinc/41/56/97/563415697.db2.gz XMSYYDNRRPBPBM-STQMWFEESA-N 1 0 381.885 2.630 20 0 GFADRO CCS(=O)(=O)CCCNc1cc[nH+]c2cc(OC)c(Br)cc12 ZINC000425271103 563416357 /nfs/dbraw/zinc/41/63/57/563416357.db2.gz UROITKUANZKCAU-UHFFFAOYSA-N 1 0 387.299 2.665 20 0 GFADRO CCc1n[nH]c(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1Br ZINC000375742372 563417087 /nfs/dbraw/zinc/41/70/87/563417087.db2.gz IBUIYZAUVWGPGQ-BXUZGUMPSA-N 1 0 381.318 2.824 20 0 GFADRO CCOC(=O)[C@@H](C)[C@@H](C)[NH2+]CC(=O)Nc1c(F)cc(F)cc1Br ZINC000282637588 563418764 /nfs/dbraw/zinc/41/87/64/563418764.db2.gz BJVLMGBUKKNGQF-DTWKUNHWSA-N 1 0 393.228 2.843 20 0 GFADRO O=C(NC1CC[NH+](C2CC2)CC1)N1CCOc2ccc(Br)cc2C1 ZINC000282664065 563420232 /nfs/dbraw/zinc/42/02/32/563420232.db2.gz IVRNJZDRBBKBHA-UHFFFAOYSA-N 1 0 394.313 2.980 20 0 GFADRO Brc1cnc2c(c1)nccc2N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000302103057 563420878 /nfs/dbraw/zinc/42/08/78/563420878.db2.gz MBOUKEJPKRKQGC-ZDUSSCGKSA-N 1 0 377.286 2.551 20 0 GFADRO O=C(c1ccoc1)N1CCC([NH2+]C[C@@H](O)c2cccc(Br)c2)CC1 ZINC000282669478 563421037 /nfs/dbraw/zinc/42/10/37/563421037.db2.gz JIZYYSKUARKADO-QGZVFWFLSA-N 1 0 393.281 2.970 20 0 GFADRO C[C@@H]([NH2+][C@H]1CCC(=O)NC12CCC2)C(=O)Nc1ccc(Br)cc1 ZINC000282769200 563424112 /nfs/dbraw/zinc/42/41/12/563424112.db2.gz LOZPWGITMUTFRU-RISCZKNCSA-N 1 0 380.286 2.567 20 0 GFADRO O=S1(=O)CCC[C@H]([NH2+]Cc2ccc(I)c(Cl)c2)C1 ZINC000282786399 563424312 /nfs/dbraw/zinc/42/43/12/563424312.db2.gz PWPZDQNGGAJMGI-JTQLQIEISA-N 1 0 399.681 2.611 20 0 GFADRO C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)C1CCN(C(=O)c2ccc(Cl)s2)CC1 ZINC000375938552 563424338 /nfs/dbraw/zinc/42/43/38/563424338.db2.gz SOZDEAZHVLHDID-HSMVNMDESA-N 1 0 383.945 2.756 20 0 GFADRO C[NH+]1CCC([C@@H]2CCN(C(=O)N=c3nc(-c4ccsc4)[n-]s3)C2)CC1 ZINC000376086558 563429230 /nfs/dbraw/zinc/42/92/30/563429230.db2.gz ZCNILYYOKASILO-CYBMUJFWSA-N 1 0 377.539 2.884 20 0 GFADRO Brc1cnc(NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)nc1 ZINC000302784044 563429659 /nfs/dbraw/zinc/42/96/59/563429659.db2.gz LLGJKWXYFDQGAJ-MRXNPFEDSA-N 1 0 377.286 2.942 20 0 GFADRO Ic1ccc2ncnc(N3CC[NH+]4CCC3CC4)c2c1 ZINC000302767801 563429921 /nfs/dbraw/zinc/42/99/21/563429921.db2.gz LVQLXEGEECUUAQ-UHFFFAOYSA-N 1 0 380.233 2.519 20 0 GFADRO [NH3+][C@@H]1CCC[C@@]12CCN(S(=O)(=O)c1c(Cl)cccc1Br)C2 ZINC000376127499 563430543 /nfs/dbraw/zinc/43/05/43/563430543.db2.gz HRWUFXREWOMMRD-OCCSQVGLSA-N 1 0 393.734 2.995 20 0 GFADRO Cn1ncc(NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c(Br)c1=O ZINC000310356905 563434726 /nfs/dbraw/zinc/43/47/26/563434726.db2.gz INMWXRFKBNPZTQ-HNNXBMFYSA-N 1 0 391.313 2.867 20 0 GFADRO [NH3+]C[C@]12CCC[C@H]1CN(C(=O)c1csc(I)c1)C2 ZINC000310921787 563434867 /nfs/dbraw/zinc/43/48/67/563434867.db2.gz CMYMFRCZMTWDFK-GWCFXTLKSA-N 1 0 376.263 2.554 20 0 GFADRO O[C@H](C[N@@H+]1CCCC[C@H]1Cn1ccnn1)c1ccc(F)c(Br)c1 ZINC000376332858 563438066 /nfs/dbraw/zinc/43/80/66/563438066.db2.gz CWWMTENOYYDRNR-XJKSGUPXSA-N 1 0 383.265 2.768 20 0 GFADRO CCOc1ccc(Br)cc1S(=O)(=O)NCC1([NH3+])CCCCC1 ZINC000314379793 563439546 /nfs/dbraw/zinc/43/95/46/563439546.db2.gz TVESFSYCAQFLIP-UHFFFAOYSA-N 1 0 391.331 2.788 20 0 GFADRO Cc1ccc(S(=O)(=O)N2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c(Br)c1 ZINC000314663121 563439586 /nfs/dbraw/zinc/43/95/86/563439586.db2.gz FLIVSDUAEPQLJZ-DZGCQCFKSA-N 1 0 387.343 2.910 20 0 GFADRO C[C@H]([NH3+])[C@H]1CN(C(=O)c2ccc(Br)c(C(F)(F)F)c2)CCO1 ZINC000317141675 563442359 /nfs/dbraw/zinc/44/23/59/563442359.db2.gz FJCJKOCNDLEENW-QPUJVOFHSA-N 1 0 381.192 2.656 20 0 GFADRO [NH3+][C@H]1CCC[C@]12CCN(C(=O)c1cc(F)ccc1I)C2 ZINC000376457883 563442425 /nfs/dbraw/zinc/44/24/25/563442425.db2.gz KXUAPIISJAANRM-DZGCQCFKSA-N 1 0 388.224 2.774 20 0 GFADRO CCOc1ccc(Br)cc1S(=O)(=O)N[C@@](C)(C[NH3+])CC(C)C ZINC000317199538 563442539 /nfs/dbraw/zinc/44/25/39/563442539.db2.gz UICRMBRKYHQWNX-OAHLLOKOSA-N 1 0 393.347 2.890 20 0 GFADRO O=S(=O)(c1ccc(Br)cc1F)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000317628332 563442957 /nfs/dbraw/zinc/44/29/57/563442957.db2.gz UZNKMGSGXZFDQR-UONOGXRCSA-N 1 0 391.306 2.883 20 0 GFADRO [NH3+][C@@H]1CN(C(=O)c2cc(Br)ccc2O)C[C@@H]1c1ccc(F)cc1 ZINC000376508029 563445030 /nfs/dbraw/zinc/44/50/30/563445030.db2.gz YVWIVKSLQLKQMN-HUUCEWRRSA-N 1 0 379.229 2.861 20 0 GFADRO Cc1cc(N2CCC[C@H]([N@H+]3CC[C@H](O)[C@@H](C)C3)C2=O)ccc1Br ZINC000426135625 563445110 /nfs/dbraw/zinc/44/51/10/563445110.db2.gz HFDUUAKGRAGHFA-JQFCIGGWSA-N 1 0 381.314 2.956 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CN(C(=O)c2ccc(Br)cc2C(F)(F)F)CCO1 ZINC000320173403 563446424 /nfs/dbraw/zinc/44/64/24/563446424.db2.gz JYORKEPYTFSSRM-PELKAZGASA-N 1 0 381.192 2.656 20 0 GFADRO CN(CCOc1ccc(Br)cc1)C(=O)C[N@H+](C)[C@@H]1CCCC[C@H]1O ZINC000426219675 563447215 /nfs/dbraw/zinc/44/72/15/563447215.db2.gz JIDCYDZLFZSFPV-IAGOWNOFSA-N 1 0 399.329 2.522 20 0 GFADRO C[C@H](Cn1cc(Br)cn1)[NH2+]Cc1cc2ccccc2n(C)c1=O ZINC000426288463 563448509 /nfs/dbraw/zinc/44/85/09/563448509.db2.gz BRTMTNRZHNVRPD-GFCCVEGCSA-N 1 0 375.270 2.676 20 0 GFADRO COCC(C)(C)C[NH2+][C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000426353726 563449270 /nfs/dbraw/zinc/44/92/70/563449270.db2.gz WCMSQOLIBPEPQU-ZDUSSCGKSA-N 1 0 376.316 2.930 20 0 GFADRO CCN1CC[NH+](CCCCNC(=O)Nc2ncc(C(F)(F)F)s2)CC1 ZINC000283634530 563450064 /nfs/dbraw/zinc/45/00/64/563450064.db2.gz PMVUXEJOOZPWSL-UHFFFAOYSA-N 1 0 379.452 2.701 20 0 GFADRO [NH3+]C[C@H]1Cc2ccccc2N(Cc2cc(=O)n3cc(Br)ccc3n2)C1 ZINC000328569664 563460554 /nfs/dbraw/zinc/46/05/54/563460554.db2.gz QTWIMPYGBLEMCY-CYBMUJFWSA-N 1 0 399.292 2.595 20 0 GFADRO Cc1[nH]c(=O)c(C(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)cc1Br ZINC000427222640 563462851 /nfs/dbraw/zinc/46/28/51/563462851.db2.gz AVNKTENZKUOZQU-CYBMUJFWSA-N 1 0 382.302 2.662 20 0 GFADRO O=C1CC[C@H]([NH2+]Cc2cnn(-c3ccc(Br)cc3)c2)[C@@H](C2CC2)N1 ZINC000377112869 563463416 /nfs/dbraw/zinc/46/34/16/563463416.db2.gz LXVDCIGRNSYMJF-FUHWJXTLSA-N 1 0 389.297 2.782 20 0 GFADRO Cn1ccnc1Sc1ncc(C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cc1Cl ZINC000328727114 563463810 /nfs/dbraw/zinc/46/38/10/563463810.db2.gz GFTJAZUCDKNKEX-CYBMUJFWSA-N 1 0 377.901 2.540 20 0 GFADRO C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)C[C@H]2CC[NH2+]C2)CC1 ZINC000427272382 563463975 /nfs/dbraw/zinc/46/39/75/563463975.db2.gz DQARMHWNKRMTDR-LSDHHAIUSA-N 1 0 380.330 2.654 20 0 GFADRO CCC[N@@H+]1CCC[C@@H]1C(=O)N(CCO)Cc1cc(Br)cs1 ZINC000427567026 563469314 /nfs/dbraw/zinc/46/93/14/563469314.db2.gz TXZAWXMJYDVSJO-CQSZACIVSA-N 1 0 375.332 2.706 20 0 GFADRO C[C@@H](CN1CCCC1=O)NC(=O)C1CC[NH+](Cc2ccc(Cl)s2)CC1 ZINC000377454462 563475178 /nfs/dbraw/zinc/47/51/78/563475178.db2.gz MNGQODFGEWTRIK-ZDUSSCGKSA-N 1 0 383.945 2.741 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)C(=O)N(Cc1cccs1)C1CC1)c1cccs1 ZINC000284450083 563475515 /nfs/dbraw/zinc/47/55/15/563475515.db2.gz PSYBYLKGBHTWNF-OAHLLOKOSA-N 1 0 377.535 2.720 20 0 GFADRO Cc1nc(C)c(S(=O)(=O)N[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC000329238423 563476732 /nfs/dbraw/zinc/47/67/32/563476732.db2.gz LCJXQMRZFAPBCC-CXAGYDPISA-N 1 0 379.551 2.949 20 0 GFADRO COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N[C@@H](C)CCCC[NH3+] ZINC000427934466 563479036 /nfs/dbraw/zinc/47/90/36/563479036.db2.gz VEGFHCNIDNXEBX-QWHCGFSZSA-N 1 0 378.922 2.550 20 0 GFADRO OC[C@@H]1CCC[N@@H+]1C[C@H]1CCCN1Cc1nc2ccccn2c1Br ZINC000377615103 563481092 /nfs/dbraw/zinc/48/10/92/563481092.db2.gz LCCMICVNAQPNBK-CABCVRRESA-N 1 0 393.329 2.518 20 0 GFADRO CN1CC[C@H]([NH2+][C@@H]2CCN(CC(F)(F)F)C2=O)[C@@H]1c1ccc(Cl)cc1 ZINC000377658660 563482175 /nfs/dbraw/zinc/48/21/75/563482175.db2.gz XTYRWCYICPAFBY-ZNMIVQPWSA-N 1 0 375.822 2.838 20 0 GFADRO O=C1NC[C@H]2C[N@H+](Cc3coc(-c4ccc(Br)cc4)n3)CC[C@H]12 ZINC000377733247 563484570 /nfs/dbraw/zinc/48/45/70/563484570.db2.gz UMPIRQAHPHJQTL-WFASDCNBSA-N 1 0 376.254 2.672 20 0 GFADRO CC(C)NC(=O)[C@@H]1CCC[C@@H]([NH2+][C@@H](C)Cn2cc(Br)ccc2=O)C1 ZINC000428249331 563486245 /nfs/dbraw/zinc/48/62/45/563486245.db2.gz UZGLAHQKWFREBQ-SQWLQELKSA-N 1 0 398.345 2.672 20 0 GFADRO Cc1ncc(C[N@@H+]2CC[C@@H](NC(=O)CCOCC(F)(F)F)[C@H](C)C2)s1 ZINC000377789750 563487123 /nfs/dbraw/zinc/48/71/23/563487123.db2.gz JDWDRTKKQNEIDP-BXUZGUMPSA-N 1 0 379.448 2.747 20 0 GFADRO C[N@@H+]1CC[C@H](CNS(=O)(=O)CCOc2ccccc2)[C@@H]1c1cccs1 ZINC000377859475 563488721 /nfs/dbraw/zinc/48/87/21/563488721.db2.gz HTZBVFUJVKDUMM-CRAIPNDOSA-N 1 0 380.535 2.739 20 0 GFADRO C[C@H]1C[C@H](NC(=O)N2CCC(n3cc(Br)cn3)CC2)C[N@@H+]1C1CC1 ZINC000378055712 563495010 /nfs/dbraw/zinc/49/50/10/563495010.db2.gz TUQVCUAJQLJGIX-JSGCOSHPSA-N 1 0 396.333 2.617 20 0 GFADRO [NH3+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)c1cc(F)ccc1I ZINC000378188672 563498535 /nfs/dbraw/zinc/49/85/35/563498535.db2.gz FOJCEMTXFKHGOF-YOGCLGLASA-N 1 0 388.224 2.915 20 0 GFADRO COCC[C@@]1(C(=O)N[C@@H](C)c2ccc(OC)c(Br)c2)CC[NH2+]C1 ZINC000378210184 563498906 /nfs/dbraw/zinc/49/89/06/563498906.db2.gz VRGHPVUUMKHSRE-SJCJKPOMSA-N 1 0 385.302 2.651 20 0 GFADRO Cc1cccc(S(=O)(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c1Br ZINC000378223294 563499104 /nfs/dbraw/zinc/49/91/04/563499104.db2.gz IQANAJUAXFMPNE-KGLIPLIRSA-N 1 0 387.343 2.910 20 0 GFADRO O=C(NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)N[C@H](CO)CC(F)F ZINC000428754954 563501607 /nfs/dbraw/zinc/50/16/07/563501607.db2.gz VAFKOTFIVXWHFG-LSDHHAIUSA-N 1 0 375.847 2.792 20 0 GFADRO O=C1[C@@H]([NH2+][C@H](CO)c2ccc(Br)cc2)CCCN1CC(F)(F)F ZINC000428815720 563502991 /nfs/dbraw/zinc/50/29/91/563502991.db2.gz VSXNQSCYJWELBD-QWHCGFSZSA-N 1 0 395.219 2.625 20 0 GFADRO C[C@H](O)C[N@@H+]1CCN(Cc2nnc(-c3ccc(Cl)cc3Cl)o2)[C@@H](C)C1 ZINC000330394327 563503512 /nfs/dbraw/zinc/50/35/12/563503512.db2.gz DBTHXKRIWJTSNA-RYUDHWBXSA-N 1 0 385.295 2.930 20 0 GFADRO C[C@@H](CN1CCN(C2(C(N)=O)CCCC2)CC1)c1cccc(Br)c1 ZINC000378347668 563503973 /nfs/dbraw/zinc/50/39/73/563503973.db2.gz AXAVLALRCAXRLQ-HNNXBMFYSA-N 1 0 394.357 2.968 20 0 GFADRO C[C@H](NC(=O)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1)c1cccc(Cl)c1Cl ZINC000285123701 563504429 /nfs/dbraw/zinc/50/44/29/563504429.db2.gz LDZWUKNLUMQQNE-NWDGAFQWSA-N 1 0 384.307 2.771 20 0 GFADRO C[C@@H]([NH2+][C@H]1CCN(c2ccccc2Cl)C1)c1cccc(S(N)(=O)=O)c1 ZINC000378427394 563506537 /nfs/dbraw/zinc/50/65/37/563506537.db2.gz IHWATQNKZGNDLT-HIFRSBDPSA-N 1 0 379.913 2.917 20 0 GFADRO C[C@H](NC(=O)c1cc(=O)[nH]c2ccc(Br)cc21)[C@H]1CCC[NH2+]C1 ZINC000429008476 563507064 /nfs/dbraw/zinc/50/70/64/563507064.db2.gz NNAXZRANPSYPJQ-QWRGUYRKSA-N 1 0 378.270 2.821 20 0 GFADRO COc1ccc(CCC(=O)N2CC[C@H]3CC[N@H+](C)[C@H]3C2)cc1Br ZINC000378461555 563507711 /nfs/dbraw/zinc/50/77/11/563507711.db2.gz LDUVOXNEZGHDNO-ZBFHGGJFSA-N 1 0 381.314 2.943 20 0 GFADRO C[C@@H]([NH3+])CCNC(=O)c1cccn1-c1ccc(I)cc1 ZINC000429029854 563508745 /nfs/dbraw/zinc/50/87/45/563508745.db2.gz NTQADHGALJVVOK-LLVKDONJSA-N 1 0 383.233 2.549 20 0 GFADRO Cc1cc(COc2ccc(C(=O)NC[C@H]3CCC[NH2+]3)cc2Br)on1 ZINC000429090558 563509179 /nfs/dbraw/zinc/50/91/79/563509179.db2.gz BGOZFNAGFDJPRE-CYBMUJFWSA-N 1 0 394.269 2.806 20 0 GFADRO CCOCCNC(=O)C[NH2+][C@H](c1cc(Cl)ccc1Cl)[C@H]1CCOC1 ZINC000378493525 563509263 /nfs/dbraw/zinc/50/92/63/563509263.db2.gz IJFLSXMTLYHRRX-SJCJKPOMSA-N 1 0 375.296 2.813 20 0 GFADRO O=C(CCc1cc(Br)cs1)Nc1ccc(N2CC[NH2+]CC2)cn1 ZINC000429047214 563509469 /nfs/dbraw/zinc/50/94/69/563509469.db2.gz JXQNVZQOVAQDCN-UHFFFAOYSA-N 1 0 395.326 2.887 20 0 GFADRO CC(C)c1ccc(Cl)c(S(=O)(=O)N[C@H](C)CCN2CC[NH+](C)CC2)c1 ZINC000330534051 563509554 /nfs/dbraw/zinc/50/95/54/563509554.db2.gz UNRALFDWLVZEPZ-OAHLLOKOSA-N 1 0 387.977 2.768 20 0 GFADRO Cc1cc(COc2ccc(C(=O)NC[C@H]3CCC[NH2+]3)cc2Br)no1 ZINC000429099785 563510143 /nfs/dbraw/zinc/51/01/43/563510143.db2.gz SCCGKNFNDHKWFA-CYBMUJFWSA-N 1 0 394.269 2.806 20 0 GFADRO COc1ccc(Br)cc1C(=O)CCC(=O)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000429158183 563510782 /nfs/dbraw/zinc/51/07/82/563510782.db2.gz BZNUMXXKFWPEQT-BXUZGUMPSA-N 1 0 383.286 2.616 20 0 GFADRO Cc1nn(-c2ccc(C(=O)NC[C@H]([NH3+])C(C)C)cc2)c(C)c1Br ZINC000429192051 563511428 /nfs/dbraw/zinc/51/14/28/563511428.db2.gz QKNIFCKHLFWRLW-HNNXBMFYSA-N 1 0 379.302 2.965 20 0 GFADRO C[C@@H]1CCC[N@H+](C[C@@H](O)COc2ccc(Cl)cc2Br)[C@@H]1CO ZINC000330596748 563512541 /nfs/dbraw/zinc/51/25/41/563512541.db2.gz YMTOPBNITZPKFD-UXIGCNINSA-N 1 0 392.721 2.935 20 0 GFADRO CN1CCN(C(=O)CC[NH2+][C@H]2c3cc(Br)ccc3CC2(C)C)CC1 ZINC000429272873 563513424 /nfs/dbraw/zinc/51/34/24/563513424.db2.gz LMHGVLLAHUBISO-SFHVURJKSA-N 1 0 394.357 2.826 20 0 GFADRO CC[C@](C)([NH3+])c1cn(Cc2nnc(-c3ccccc3Br)o2)nn1 ZINC000384124690 563517082 /nfs/dbraw/zinc/51/70/82/563517082.db2.gz ATEDLWXBRAEYFD-HNNXBMFYSA-N 1 0 377.246 2.723 20 0 GFADRO CC[C@@](C)([NH3+])c1cn(CC(=O)N[C@H](C)c2ccc(Br)cc2)nn1 ZINC000384135618 563517323 /nfs/dbraw/zinc/51/73/23/563517323.db2.gz DJJDGHAGOPVJCY-BDJLRTHQSA-N 1 0 380.290 2.502 20 0 GFADRO C[NH+](C)[C@H]1CCCN(CCS(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000429543090 563518161 /nfs/dbraw/zinc/51/81/61/563518161.db2.gz UJVDMCIBZWDSDY-HNNXBMFYSA-N 1 0 389.359 2.639 20 0 GFADRO CC(C)Oc1cc(Br)cc(C(=O)N2CC[C@@H]([N@H+](C)CCO)[C@H]2C)c1 ZINC000330704822 563518348 /nfs/dbraw/zinc/51/83/48/563518348.db2.gz JXCKUPAOJPDJCS-CXAGYDPISA-N 1 0 399.329 2.763 20 0 GFADRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1S(=O)(=O)c1sccc1Br ZINC000285449257 563521258 /nfs/dbraw/zinc/52/12/58/563521258.db2.gz YIQBMDVFMFLTOW-GHMZBOCLSA-N 1 0 379.345 2.758 20 0 GFADRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)c1cc(Br)ccc1Br ZINC000389793627 563521837 /nfs/dbraw/zinc/52/18/37/563521837.db2.gz RVMRRYJJNYIXSV-PRHODGIISA-N 1 0 376.092 2.939 20 0 GFADRO C[NH+]1CCC([C@@H]2CCN(C(=O)c3cn4ccc(Br)cc4n3)C2)CC1 ZINC000285489185 563523488 /nfs/dbraw/zinc/52/34/88/563523488.db2.gz AGEOJNLEKOSDSE-CQSZACIVSA-N 1 0 391.313 2.901 20 0 GFADRO COC(=O)CC[N@H+](CCOc1cccc(Br)c1)C[C@@H]1CCCO1 ZINC000391353768 563524630 /nfs/dbraw/zinc/52/46/30/563524630.db2.gz UEOADTNPRINMSJ-INIZCTEOSA-N 1 0 386.286 2.872 20 0 GFADRO CN(C)C(=O)N1CCC([NH2+]Cc2cc(F)c(F)cc2Br)CC1 ZINC000285641073 563530221 /nfs/dbraw/zinc/53/02/21/563530221.db2.gz ZIKHAWLNOVIALS-UHFFFAOYSA-N 1 0 376.245 2.963 20 0 GFADRO CS(=O)(=O)N[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(OC(F)F)c(Cl)c1 ZINC000331015078 563531566 /nfs/dbraw/zinc/53/15/66/563531566.db2.gz OWGPVQCEOLKQIU-STQMWFEESA-N 1 0 382.860 2.891 20 0 GFADRO CCN(C(=O)COC1C[NH2+]C1)[C@@H]1CCSc2ccc(Br)cc21 ZINC000430100326 563533411 /nfs/dbraw/zinc/53/34/11/563533411.db2.gz GUFQGTZLGBINSA-CQSZACIVSA-N 1 0 385.327 2.823 20 0 GFADRO C[C@@H]1CSc2ccc(Br)cc2[C@@H]1NC(=O)C[C@@H]1C[NH2+]CCO1 ZINC000430112448 563533522 /nfs/dbraw/zinc/53/35/22/563533522.db2.gz XRNORGDMXVNKEN-NSODJVPESA-N 1 0 385.327 2.727 20 0 GFADRO C[C@@H](C(=O)NC[C@@H](CO)Cc1ccccc1Br)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000430144084 563535784 /nfs/dbraw/zinc/53/57/84/563535784.db2.gz DHFHSNWUURNLLQ-FZKCQIBNSA-N 1 0 397.357 2.978 20 0 GFADRO COc1cc(C)c(Br)cc1C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000285800466 563537490 /nfs/dbraw/zinc/53/74/90/563537490.db2.gz DFSHZOGLPVXHLB-UHFFFAOYSA-N 1 0 398.345 2.522 20 0 GFADRO C[C@H](C(=O)NC[C@@H](CO)Cc1ccc(Br)cc1)[NH+]1CCCCCC1 ZINC000430181597 563538417 /nfs/dbraw/zinc/53/84/17/563538417.db2.gz UMQNGEFGOAHRPP-WBVHZDCISA-N 1 0 397.357 2.981 20 0 GFADRO CS(=O)(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(F)cc1Br ZINC000331164414 563538548 /nfs/dbraw/zinc/53/85/48/563538548.db2.gz GHPJIVVGCJOJRA-ZIAGYGMSSA-N 1 0 379.295 2.538 20 0 GFADRO C[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)c(F)c2)[C@@H]1CC[NH3+] ZINC000405275089 563538627 /nfs/dbraw/zinc/53/86/27/563538627.db2.gz WRFHWKHPKXMCQA-QMTHXVAHSA-N 1 0 379.295 2.726 20 0 GFADRO CC(C)(C)CC[NH+]1CCN(C(=O)Nc2nnc(CC(F)(F)F)s2)CC1 ZINC000331168770 563538630 /nfs/dbraw/zinc/53/86/30/563538630.db2.gz NERKYLOUOHCJEL-UHFFFAOYSA-N 1 0 379.452 3.229 20 0 GFADRO O=C(C[C@@H]1COCC[NH2+]1)NCCCCSc1ccccc1Br ZINC000285856300 563539481 /nfs/dbraw/zinc/53/94/81/563539481.db2.gz YIRLFWAWDCJFBQ-CYBMUJFWSA-N 1 0 387.343 2.816 20 0 GFADRO COc1cc(Br)ccc1CNC(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000430287338 563540110 /nfs/dbraw/zinc/54/01/10/563540110.db2.gz XFAUKBFXFYCVQJ-OAHLLOKOSA-N 1 0 382.302 2.836 20 0 GFADRO Cc1c(C(=O)N2C[C@@H](C)N(C)C[C@@H]2C)nnn1-c1cccc(Br)c1 ZINC000408073439 563543405 /nfs/dbraw/zinc/54/34/05/563543405.db2.gz UAXHYYXQWVQPID-NEPJUHHUSA-N 1 0 392.301 2.503 20 0 GFADRO CC(C)[C@@H]([NH3+])CCN(C)CC(=O)Nc1ccc(I)cc1 ZINC000430594664 563546064 /nfs/dbraw/zinc/54/60/64/563546064.db2.gz LFJNWSDAMQIDCO-AWEZNQCLSA-N 1 0 389.281 2.535 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CC[NH2+][C@H](C)c1ccc(=O)[nH]n1 ZINC000286066121 563547689 /nfs/dbraw/zinc/54/76/89/563547689.db2.gz KWKCAWGDYCRXFZ-LLVKDONJSA-N 1 0 379.258 2.520 20 0 GFADRO COc1ccc(S(=O)(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)c(Cl)c1Cl ZINC000408235068 563548183 /nfs/dbraw/zinc/54/81/83/563548183.db2.gz BOHACIAIJGYTDS-GHMZBOCLSA-N 1 0 379.309 2.907 20 0 GFADRO COc1ccc(C(=O)N2CCCC[C@H]2CC[NH3+])c(I)c1 ZINC000286135801 563549941 /nfs/dbraw/zinc/54/99/41/563549941.db2.gz PEWUZJKTGOCYSQ-NSHDSACASA-N 1 0 388.249 2.643 20 0 GFADRO C[NH+]1CCC(CCNC(=O)CCCS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000286283116 563554940 /nfs/dbraw/zinc/55/49/40/563554940.db2.gz FQOWQMCVNXGXNI-UHFFFAOYSA-N 1 0 386.945 2.742 20 0 GFADRO COC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)s1 ZINC000331837241 563564188 /nfs/dbraw/zinc/56/41/88/563564188.db2.gz OXEHICBRTUYRHH-HZSPNIEDSA-N 1 0 386.539 2.561 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)c(Br)c1 ZINC000431702500 563566807 /nfs/dbraw/zinc/56/68/07/563566807.db2.gz NEDJAUIJOHSVBJ-OLZOCXBDSA-N 1 0 382.302 2.603 20 0 GFADRO COCC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1csc2ccc(Cl)cc21 ZINC000431821858 563569204 /nfs/dbraw/zinc/56/92/04/563569204.db2.gz HBIPVKBPAUFZMZ-ZDUSSCGKSA-N 1 0 388.942 2.944 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccn(-c2ccc(Br)cc2)n1 ZINC000431824600 563569297 /nfs/dbraw/zinc/56/92/97/563569297.db2.gz RBDSRLONSWMGHJ-GDBMZVCRSA-N 1 0 389.297 2.991 20 0 GFADRO C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000409718803 563569397 /nfs/dbraw/zinc/56/93/97/563569397.db2.gz HMPNEPNMGGOSDQ-ZIAGYGMSSA-N 1 0 389.323 2.970 20 0 GFADRO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1c(C)cc(C)cc1Br ZINC000431997019 563573100 /nfs/dbraw/zinc/57/31/00/563573100.db2.gz CFIWNIKSLKOYEU-CYBMUJFWSA-N 1 0 384.318 2.851 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@@H]32)c(Br)c1 ZINC000332071585 563574125 /nfs/dbraw/zinc/57/41/25/563574125.db2.gz WTAMTRYLRKAACF-HIFRSBDPSA-N 1 0 394.313 2.557 20 0 GFADRO O=C(Nc1ccc(Br)c(F)c1)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000332110571 563576901 /nfs/dbraw/zinc/57/69/01/563576901.db2.gz AUXNIMAYTZSWFJ-ZDUSSCGKSA-N 1 0 398.276 2.614 20 0 GFADRO CC[C@@H](Cc1ccccc1Br)C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000286852032 563577561 /nfs/dbraw/zinc/57/75/61/563577561.db2.gz XAMPWTSZLBEFPH-DOTOQJQBSA-N 1 0 394.357 2.524 20 0 GFADRO C[NH+](C)Cc1cccc(NC(=O)NCc2cc(Br)cnc2N)c1 ZINC000286879050 563578818 /nfs/dbraw/zinc/57/88/18/563578818.db2.gz DKXZODVNDOMSBE-UHFFFAOYSA-N 1 0 378.274 2.810 20 0 GFADRO CS[C@@H]1CN(C(=O)C[C@@H]2Sc3ccc(Cl)cc3NC2=O)C[C@@H]1[NH+](C)C ZINC000332138167 563579092 /nfs/dbraw/zinc/57/90/92/563579092.db2.gz ISOPEVGKNXQPSB-AEGPPILISA-N 1 0 399.969 2.647 20 0 GFADRO C[C@@H]([NH2+]C[C@H]1CCCS(=O)(=O)C1)c1ccccc1I ZINC000286916711 563579788 /nfs/dbraw/zinc/57/97/88/563579788.db2.gz FJPFCOVDJRTGHR-VXGBXAGGSA-N 1 0 393.290 2.767 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)N1CCC[C@](O)(C(F)(F)F)CC1)c1ccsc1 ZINC000286924320 563580109 /nfs/dbraw/zinc/58/01/09/563580109.db2.gz ADIQCQBDIIWFOB-DZGCQCFKSA-N 1 0 379.448 2.840 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCCN(S(=O)(=O)c2cccs2)C1)c1cccc(CO)c1 ZINC000286952506 563581863 /nfs/dbraw/zinc/58/18/63/563581863.db2.gz HKPLFUBFEKAESP-WMLDXEAASA-N 1 0 380.535 2.744 20 0 GFADRO C[NH+]1CCC(CCNS(=O)(=O)Cc2cccc(Br)c2)CC1 ZINC000287002085 563583274 /nfs/dbraw/zinc/58/32/74/563583274.db2.gz UDAQBSUOMIHZFW-UHFFFAOYSA-N 1 0 375.332 2.600 20 0 GFADRO CC[N@H+](CCNC(=O)N[C@H]1COc2cc(F)c(Br)cc21)C1CC1 ZINC000410185762 563584209 /nfs/dbraw/zinc/58/42/09/563584209.db2.gz QTXWOQHXEVXIQW-AWEZNQCLSA-N 1 0 386.265 2.805 20 0 GFADRO C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@@H]2CCc3cc(Br)ccc32)C[C@H]1C ZINC000332225918 563585218 /nfs/dbraw/zinc/58/52/18/563585218.db2.gz BUNDLGGDKOGMLQ-IIYDPXPESA-N 1 0 396.329 2.533 20 0 GFADRO C[C@@H]1CCN(C(=O)N[C@H]2COc3cc(F)c(Br)cc32)C[C@@H]1C[NH3+] ZINC000332265050 563588690 /nfs/dbraw/zinc/58/86/90/563588690.db2.gz FIMYUSAPXZDNOB-BFVZDQMLSA-N 1 0 386.265 2.648 20 0 GFADRO C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@H]2CCc3cc(Br)ccc32)[C@H](C)C1 ZINC000332265810 563589117 /nfs/dbraw/zinc/58/91/17/563589117.db2.gz OOVJDCTYMYXSIQ-IGCXYCKISA-N 1 0 396.329 2.533 20 0 GFADRO CO[C@H](C)c1nc(CN2CCC[N@H+](C[C@](C)(O)C(F)(F)F)CC2)cs1 ZINC000410409594 563589964 /nfs/dbraw/zinc/58/99/64/563589964.db2.gz XTEMKYHZSVEEGB-DOMZBBRYSA-N 1 0 381.464 2.672 20 0 GFADRO O=C(c1ccoc1)N1CCC([NH2+]CCCn2cc(Br)cn2)CC1 ZINC000287213057 563591829 /nfs/dbraw/zinc/59/18/29/563591829.db2.gz FMHJKDRLZHEZTH-UHFFFAOYSA-N 1 0 381.274 2.523 20 0 GFADRO COC(=O)COc1ccccc1[C@H](C)[NH2+]CCCn1cc(Br)cn1 ZINC000287212979 563591923 /nfs/dbraw/zinc/59/19/23/563591923.db2.gz FLHUZCAURGLVQD-ZDUSSCGKSA-N 1 0 396.285 2.938 20 0 GFADRO O=S1(=O)CC[C@H]([NH2+]C[C@H]2CCCC[C@@H]2O)c2cc(Br)ccc21 ZINC000332311654 563592469 /nfs/dbraw/zinc/59/24/69/563592469.db2.gz GVMHUMZOUSJBBE-UGFHNGPFSA-N 1 0 388.327 2.808 20 0 GFADRO Cc1c(Br)cccc1C[N@@H+]1CCC[C@@H](c2cc(C(N)=O)[nH]n2)C1 ZINC000332346293 563594460 /nfs/dbraw/zinc/59/44/60/563594460.db2.gz PYEMHWQYBMUAPG-CYBMUJFWSA-N 1 0 377.286 2.959 20 0 GFADRO COC(=O)c1ccc(C[NH2+]C[C@@H](CO)Cc2cccc(Br)c2)o1 ZINC000433036047 563600985 /nfs/dbraw/zinc/60/09/85/563600985.db2.gz QKBXKMBPURNBIL-ZDUSSCGKSA-N 1 0 382.254 2.770 20 0 GFADRO Cc1nc2sccn2c1CN(C)S(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000433104822 563602834 /nfs/dbraw/zinc/60/28/34/563602834.db2.gz YLZBCGBDHKEERY-UHFFFAOYSA-N 1 0 378.523 2.587 20 0 GFADRO O=C1CCC[C@H](C[NH2+]C2CCN(Cc3ccccc3Br)CC2)N1 ZINC000433106175 563602875 /nfs/dbraw/zinc/60/28/75/563602875.db2.gz TWGGKZVNJDVTES-MRXNPFEDSA-N 1 0 380.330 2.672 20 0 GFADRO CC(=O)NCc1ccc(-c2nc(NC(=O)[C@H](C[NH3+])C(C)C)sc2C)s1 ZINC000433129652 563604030 /nfs/dbraw/zinc/60/40/30/563604030.db2.gz DYYNPWWPHRESJN-CYBMUJFWSA-N 1 0 380.539 2.986 20 0 GFADRO COC[C@@H]([NH2+]Cc1cnn(-c2ccc(Br)cc2)c1)[C@@H]1CCCO1 ZINC000433203280 563606445 /nfs/dbraw/zinc/60/64/45/563606445.db2.gz AWEAZDIXJTXFQI-SJORKVTESA-N 1 0 380.286 2.918 20 0 GFADRO C[C@H]1C[C@H](NC(=O)c2cnn(-c3ccc(Br)cc3)c2)CC[N@@H+]1C ZINC000332633190 563608831 /nfs/dbraw/zinc/60/88/31/563608831.db2.gz HMYPITXXXOWTRR-SWLSCSKDSA-N 1 0 377.286 2.847 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCO[C@@H](C(F)(F)F)C1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000287606729 563610164 /nfs/dbraw/zinc/61/01/64/563610164.db2.gz IXBVNDOYFYSOKO-NJZAAPMLSA-N 1 0 380.432 2.697 20 0 GFADRO C[N@H+](Cc1coc(-c2ccc(Cl)cc2)n1)C1CCN(S(C)(=O)=O)CC1 ZINC000332674929 563611106 /nfs/dbraw/zinc/61/11/06/563611106.db2.gz QFPNAXCRPUEECQ-UHFFFAOYSA-N 1 0 383.901 2.851 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)[C@@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)CC[N@@H+]1C ZINC000332685487 563611740 /nfs/dbraw/zinc/61/17/40/563611740.db2.gz TYAUMZDGHNOMMU-BNOWGMLFSA-N 1 0 384.307 2.945 20 0 GFADRO CCOc1ccc(Br)cc1NC(=O)c1ncn([C@@H]2CCC[NH2+]C2)n1 ZINC000433373065 563611741 /nfs/dbraw/zinc/61/17/41/563611741.db2.gz FVYDVKGOGXHPLY-GFCCVEGCSA-N 1 0 394.273 2.616 20 0 GFADRO Cc1cccc(NC(=O)C(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1Br ZINC000287647748 563612032 /nfs/dbraw/zinc/61/20/32/563612032.db2.gz AQUDNXHOIPHKNB-PBWFPOADSA-N 1 0 394.313 2.780 20 0 GFADRO CCN1CCc2nc(NC(=O)C3CC[NH+]([C@@H]4CCSC4)CC3)sc2C1 ZINC000411258329 563612083 /nfs/dbraw/zinc/61/20/83/563612083.db2.gz UXXGAVPEDVYWSM-CQSZACIVSA-N 1 0 380.583 2.677 20 0 GFADRO O=C(NCc1cn2cc(Cl)ccc2n1)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000411252481 563612220 /nfs/dbraw/zinc/61/22/20/563612220.db2.gz JVHIALXNDUZRGI-MRXNPFEDSA-N 1 0 378.929 2.821 20 0 GFADRO C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2cc(Cl)ccc2C(F)(F)F)C1 ZINC000287672351 563613278 /nfs/dbraw/zinc/61/32/78/563613278.db2.gz PECDKWJRYASIAY-JTQLQIEISA-N 1 0 377.794 2.707 20 0 GFADRO Cc1oc(-c2ccsc2)nc1CN1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC000333056671 563618756 /nfs/dbraw/zinc/61/87/56/563618756.db2.gz RLRUOFWHGNWZAY-OAHLLOKOSA-N 1 0 381.523 2.711 20 0 GFADRO [NH3+][C@H]1CCCO[C@H]1C1CCN(Cc2cnc3ccc(Br)cn23)CC1 ZINC000333109806 563620632 /nfs/dbraw/zinc/62/06/32/563620632.db2.gz GFAYAHDGJGQBHN-WMZOPIPTSA-N 1 0 393.329 2.815 20 0 GFADRO O=C(Nc1cc(Br)ccc1-n1cccn1)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000333171593 563622529 /nfs/dbraw/zinc/62/25/29/563622529.db2.gz NVPLGLSHYLXCHD-OLZOCXBDSA-N 1 0 390.285 2.708 20 0 GFADRO CSc1cc(NC(=O)C(=O)N2CC[N@@H+](C3CC3)C[C@@H](C)C2)ccc1Cl ZINC000411565314 563623886 /nfs/dbraw/zinc/62/38/86/563623886.db2.gz GRHBQSDMBJCZPI-GFCCVEGCSA-N 1 0 381.929 2.943 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(C(=O)Nc3nnc(-c4ccc(Cl)cc4F)s3)C[C@@H]21 ZINC000333207184 563624146 /nfs/dbraw/zinc/62/41/46/563624146.db2.gz SLJBVTXNEDMFQF-RNCFNFMXSA-N 1 0 381.864 3.165 20 0 GFADRO O=C(COc1cc(Cl)cc(Cl)c1)N1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000333253836 563626115 /nfs/dbraw/zinc/62/61/15/563626115.db2.gz HKGONSOOMXRHFP-CVEARBPZSA-N 1 0 385.291 2.599 20 0 GFADRO CSc1ccc(OC[C@@H](O)CN2CCSC[C@H]2c2cnn(C)c2)cc1 ZINC000411624642 563626576 /nfs/dbraw/zinc/62/65/76/563626576.db2.gz JTBOJKDHBHQZHD-YJBOKZPZSA-N 1 0 379.551 2.672 20 0 GFADRO Cc1cc(N2CCC[C@H]([NH2+][C@H]3CCC(=O)N[C@H]3C)C2=O)ccc1Br ZINC000333269863 563626719 /nfs/dbraw/zinc/62/67/19/563626719.db2.gz HATVNUIEHPUDJD-RCBQFDQVSA-N 1 0 394.313 2.510 20 0 GFADRO [NH3+][C@H]1CCO[C@H](C2CCN(C(=O)Cc3ccc(F)c(Br)c3)CC2)C1 ZINC000333291261 563627370 /nfs/dbraw/zinc/62/73/70/563627370.db2.gz ORUSTAYFHUZVBO-YOEHRIQHSA-N 1 0 399.304 2.876 20 0 GFADRO C[C@@H]([NH2+][C@@H](c1cncc(Br)c1)C1CC1)C(=O)NCC(F)(F)F ZINC000411704653 563630464 /nfs/dbraw/zinc/63/04/64/563630464.db2.gz UKFNHWYRIMYLON-PRHODGIISA-N 1 0 380.208 2.952 20 0 GFADRO COCC[C@@H]([NH2+]CC(=O)NC[C@@H]1CCCO1)c1ccc(Cl)c(Cl)c1 ZINC000411707609 563631068 /nfs/dbraw/zinc/63/10/68/563631068.db2.gz ZNZULBOTNPSIEU-XJKSGUPXSA-N 1 0 375.296 2.956 20 0 GFADRO O=C(NCC1(c2c(Cl)cccc2Cl)CCC1)N1CCOC2(C[NH2+]C2)C1 ZINC000333474315 563633407 /nfs/dbraw/zinc/63/34/07/563633407.db2.gz ARNATYKTLMTVQT-UHFFFAOYSA-N 1 0 384.307 2.799 20 0 GFADRO Cn1ncc(Br)c1C(=O)NCC[NH+]1CCC2(CCCCC2)CC1 ZINC000333475873 563633880 /nfs/dbraw/zinc/63/38/80/563633880.db2.gz XCBQVEMCNZOBKH-UHFFFAOYSA-N 1 0 383.334 2.959 20 0 GFADRO C[C@@H]1CN(CC[N@H+](C)Cc2cc3c(c(Br)c2)OCO3)C[C@H](C)O1 ZINC000434703774 563635652 /nfs/dbraw/zinc/63/56/52/563635652.db2.gz AZPZASJNKHLXJZ-BETUJISGSA-N 1 0 385.302 2.719 20 0 GFADRO [NH3+][C@@H]1CCCO[C@H]1C1CCN(S(=O)(=O)Cc2ccc(F)c(Cl)c2)CC1 ZINC000333663668 563638567 /nfs/dbraw/zinc/63/85/67/563638567.db2.gz LYJAWRVBPYQALT-SJORKVTESA-N 1 0 390.908 2.527 20 0 GFADRO COC[C@@H]([NH2+]Cc1cc2c(cc1Br)OCCCO2)[C@H]1CCCO1 ZINC000434785277 563638709 /nfs/dbraw/zinc/63/87/09/563638709.db2.gz LZVKXEISQTYEPZ-HUUCEWRRSA-N 1 0 386.286 2.894 20 0 GFADRO C[C@H](NC(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)c1ccc(Br)cn1 ZINC000333664117 563638746 /nfs/dbraw/zinc/63/87/46/563638746.db2.gz XKCLUNIJLRIXJP-BFHYXJOUSA-N 1 0 381.318 2.936 20 0 GFADRO [NH3+][C@@H]1CCO[C@H](C2CCN(S(=O)(=O)c3ccc(Cl)cc3Cl)CC2)C1 ZINC000333740964 563640604 /nfs/dbraw/zinc/64/06/04/563640604.db2.gz XPQNJUWTDCFNEL-HIFRSBDPSA-N 1 0 393.336 2.900 20 0 GFADRO C[C@H]1CN(C(=O)Nc2cc(N(C)C)c(Br)cn2)C[C@@H](C2CC2)O1 ZINC000333735302 563640641 /nfs/dbraw/zinc/64/06/41/563640641.db2.gz XETVSXJIDYXQRP-HZMBPMFUSA-N 1 0 383.290 2.941 20 0 GFADRO CN(C)C(=O)[C@H]1CC[N@H+](CCOc2ccc(Cl)cc2Br)C1 ZINC000411930438 563641153 /nfs/dbraw/zinc/64/11/53/563641153.db2.gz GSKCSANDLNPWHV-NSHDSACASA-N 1 0 375.694 2.891 20 0 GFADRO Brc1ccc2c(c1)OCCC[C@H]2[NH2+][C@@H]1CCc2nnnn2CC1 ZINC000333781653 563641741 /nfs/dbraw/zinc/64/17/41/563641741.db2.gz UPUMGRWLHYCCHB-TZMCWYRMSA-N 1 0 378.274 2.644 20 0 GFADRO O=C(NC[C@H]1C[NH2+]CCCO1)N1CCC[C@H]1c1ccc(Br)cc1 ZINC000333776304 563641840 /nfs/dbraw/zinc/64/18/40/563641840.db2.gz CZQPCNJCEZZUCJ-CVEARBPZSA-N 1 0 382.302 2.674 20 0 GFADRO CN(C)C(=O)[C@H]1CC[N@H+](Cc2cc3c(cc2Br)OCCCO3)C1 ZINC000411936298 563642003 /nfs/dbraw/zinc/64/20/03/563642003.db2.gz FLMICNHGPPNRLE-LBPRGKRZSA-N 1 0 383.286 2.521 20 0 GFADRO O=C(c1cc(Br)c2c(c1)OCCO2)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000333811386 563642592 /nfs/dbraw/zinc/64/25/92/563642592.db2.gz JJGWKBWAZVUOIL-WFASDCNBSA-N 1 0 395.297 2.825 20 0 GFADRO C[C@H](NC(=O)N[C@@H]1COc2cc(F)c(Br)cc21)[C@@H]1CCC[NH2+]C1 ZINC000333845098 563643019 /nfs/dbraw/zinc/64/30/19/563643019.db2.gz VZQKNJLEYCOREW-IMSIIYSGSA-N 1 0 386.265 2.709 20 0 GFADRO O=C(CN1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21)Nc1ccc(Cl)cc1Cl ZINC000333838298 563643114 /nfs/dbraw/zinc/64/31/14/563643114.db2.gz KQXXQRVPERIWIM-CJNGLKHVSA-N 1 0 384.307 2.632 20 0 GFADRO C[C@H](NC(=O)[C@H](C)[NH2+][C@H](CO)[C@H]1CCCOC1)c1ccc(Cl)cc1Cl ZINC000411986137 563643349 /nfs/dbraw/zinc/64/33/49/563643349.db2.gz FAZZHUQYIYZHQW-NEULZYRMSA-N 1 0 389.323 2.936 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]1C1CCN(C(=O)NCc2csc(Br)c2)CC1 ZINC000333856901 563643705 /nfs/dbraw/zinc/64/37/05/563643705.db2.gz YLIOCZWYSLFGED-OCCSQVGLSA-N 1 0 388.331 2.548 20 0 GFADRO C[C@H](NC(=O)N[C@@H]1CCOc2ccc(Br)cc21)[C@@H]1CCC[NH2+]C1 ZINC000333952135 563647121 /nfs/dbraw/zinc/64/71/21/563647121.db2.gz ZRRMYOHKHQEFFQ-YWPYICTPSA-N 1 0 382.302 2.960 20 0 GFADRO CCOC(=O)COc1c(Br)cc(C)cc1CN1CC[C@H]([C@H](C)[NH3+])C1 ZINC000435373012 563648884 /nfs/dbraw/zinc/64/88/84/563648884.db2.gz CSDWDTUCYMEGNR-KBPBESRZSA-N 1 0 399.329 2.869 20 0 GFADRO Cc1cc(S(=O)(=O)NCc2ccncc2OCCC[NH+](C)C)sc1C ZINC000288618394 563649973 /nfs/dbraw/zinc/64/99/73/563649973.db2.gz LVWKVOJYWQBSPT-UHFFFAOYSA-N 1 0 383.539 2.569 20 0 GFADRO O=S(=O)(NCCCC[N@H+]1CCC[C@H]1CO)c1c(Cl)cc(F)cc1Cl ZINC000435445048 563652281 /nfs/dbraw/zinc/65/22/81/563652281.db2.gz CERWSEYCWVHNAG-LBPRGKRZSA-N 1 0 399.315 2.648 20 0 GFADRO COC(=O)c1cc(S(=O)(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)cs1 ZINC000435642378 563655574 /nfs/dbraw/zinc/65/55/74/563655574.db2.gz UHHLGORQEHXSSK-CQSZACIVSA-N 1 0 386.539 2.610 20 0 GFADRO COC(=O)CC[C@@H]([NH3+])C(=O)Nc1ncc(Cc2ccc(Cl)cc2C)s1 ZINC000288753555 563655987 /nfs/dbraw/zinc/65/59/87/563655987.db2.gz NPTBZHQEOMSUMR-CQSZACIVSA-N 1 0 381.885 2.915 20 0 GFADRO COC[C@H]([NH2+]C[C@H](O)c1ccc(S(C)(=O)=O)cc1)c1cccc(Cl)c1 ZINC000288771309 563656360 /nfs/dbraw/zinc/65/63/60/563656360.db2.gz JPPVWSAZYYXOPO-ROUUACIJSA-N 1 0 383.897 2.754 20 0 GFADRO [NH3+][C@H]1CCc2nc(NC(=O)c3n[nH]c4ccc(Br)cc43)sc2C1 ZINC000288812355 563658364 /nfs/dbraw/zinc/65/83/64/563658364.db2.gz SSUYCBFZRKUFGX-QMMMGPOBSA-N 1 0 392.282 2.850 20 0 GFADRO CCO[C@H]1C[C@](CO)([NH2+]Cc2cc(Br)c(O)c(OC)c2)C1(C)C ZINC000436379716 563670055 /nfs/dbraw/zinc/67/00/55/563670055.db2.gz RPQAAFSZBIJWEY-WMLDXEAASA-N 1 0 388.302 2.819 20 0 GFADRO O=C(CCCOc1cccc(Cl)c1Cl)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000289175469 563670899 /nfs/dbraw/zinc/67/08/99/563670899.db2.gz HXNZBEFPUUYZAN-CQSZACIVSA-N 1 0 386.323 2.659 20 0 GFADRO C[C@@H](C[NH+](C)C)NC(=O)Nc1cnc(Br)c(Br)c1 ZINC000289191463 563671750 /nfs/dbraw/zinc/67/17/50/563671750.db2.gz ZRNCCFGHIVNMSV-ZETCQYMHSA-N 1 0 380.084 2.678 20 0 GFADRO CC(C)[C@@H]1C[N@H+](C)CCN1CC(=O)Nc1c(F)cc(F)cc1Br ZINC000436489884 563672206 /nfs/dbraw/zinc/67/22/06/563672206.db2.gz ZDFCGFPLPWGMTQ-AWEZNQCLSA-N 1 0 390.272 2.938 20 0 GFADRO C[N@@H+]1CC[C@H]2CCN(C(=O)Nc3cnc4c(Br)cccn34)[C@H]2C1 ZINC000436499967 563672829 /nfs/dbraw/zinc/67/28/29/563672829.db2.gz UESMYSYADSAVPU-AAEUAGOBSA-N 1 0 378.274 2.655 20 0 GFADRO O=S(=O)(Cc1cccc(Cl)c1)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000289258708 563673031 /nfs/dbraw/zinc/67/30/31/563673031.db2.gz UZMXTMBDCUKWBI-ZWKOTPCHSA-N 1 0 386.945 2.527 20 0 GFADRO CC(C)[N@@H+]1CCCN(C(=O)c2cc(I)ccc2O)CC1 ZINC000436566052 563674397 /nfs/dbraw/zinc/67/43/97/563674397.db2.gz PAAGZBZZQLMGIK-UHFFFAOYSA-N 1 0 388.249 2.553 20 0 GFADRO C[C@H](O)c1ncc(CN(C)CCCOc2ccc(S(C)(=O)=O)cc2)s1 ZINC000289465926 563675330 /nfs/dbraw/zinc/67/53/30/563675330.db2.gz YQTUFGJRICHNAY-ZDUSSCGKSA-N 1 0 384.523 2.501 20 0 GFADRO Cc1cc(N2CCC([NH2+]Cc3nc4ccccn4c3Br)CC2)n[nH]1 ZINC000289485373 563675854 /nfs/dbraw/zinc/67/58/54/563675854.db2.gz BDQDGLMKENAPSW-UHFFFAOYSA-N 1 0 389.301 2.887 20 0 GFADRO COc1ccc(C[C@@H](CO)C[NH2+]Cc2ncc(C(F)(F)F)s2)cc1O ZINC000289525840 563677284 /nfs/dbraw/zinc/67/72/84/563677284.db2.gz VTWITJRDQKNVOG-LLVKDONJSA-N 1 0 376.400 2.817 20 0 GFADRO CC[NH+](CC)CC(=O)NC1CCN(Cc2cccc(Br)c2)CC1 ZINC000412970018 563677300 /nfs/dbraw/zinc/67/73/00/563677300.db2.gz KRRZHZMZWCULDR-UHFFFAOYSA-N 1 0 382.346 2.872 20 0 GFADRO C[NH+](C)C1CCN(C(=O)Cc2noc(CCc3cc(Cl)cs3)n2)CC1 ZINC000350933965 563679163 /nfs/dbraw/zinc/67/91/63/563679163.db2.gz RUEJHWUNPYRQMN-UHFFFAOYSA-N 1 0 382.917 2.665 20 0 GFADRO C[NH+](C)C1CCN(C(=O)Cc2noc(CCc3ccc(Cl)s3)n2)CC1 ZINC000350935218 563679370 /nfs/dbraw/zinc/67/93/70/563679370.db2.gz VWPLVISSLUAZRX-UHFFFAOYSA-N 1 0 382.917 2.665 20 0 GFADRO C[C@@H](O)c1ncc(C[NH2+]C[C@@H](CO)Cc2ccccc2Br)s1 ZINC000289568346 563679548 /nfs/dbraw/zinc/67/95/48/563679548.db2.gz HEVWBQVWGVKZLE-NEPJUHHUSA-N 1 0 385.327 2.900 20 0 GFADRO COC[C@@]1(C[NH2+]Cc2c(Br)c(C)nn2C)OCCc2ccccc21 ZINC000289675847 563682838 /nfs/dbraw/zinc/68/28/38/563682838.db2.gz CBFNTGKMDQUFCV-GOSISDBHSA-N 1 0 394.313 2.695 20 0 GFADRO COc1ccc(Sc2nsc(NC(=O)N3CCC[N@H+](C)CC3)n2)cc1 ZINC000289785747 563686374 /nfs/dbraw/zinc/68/63/74/563686374.db2.gz TWABSHRMBQXHIV-UHFFFAOYSA-N 1 0 379.511 2.867 20 0 GFADRO CC[C@@H](C)[N@H+](C)CCNC(=O)NCc1cc(Cl)cc(S(=O)(=O)CC)c1 ZINC000413237886 563686662 /nfs/dbraw/zinc/68/66/62/563686662.db2.gz HZKTWFVULSNRKP-CYBMUJFWSA-N 1 0 389.949 2.663 20 0 GFADRO COCC[N@@H+]1CC[C@H](NC(=O)NCc2cccc(Br)c2Cl)C1 ZINC000413299116 563687968 /nfs/dbraw/zinc/68/79/68/563687968.db2.gz LMAGZRPWDWEKOJ-LBPRGKRZSA-N 1 0 390.709 2.622 20 0 GFADRO CC(C)S(=O)(=O)CC[NH2+][C@H](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000289849441 563688661 /nfs/dbraw/zinc/68/86/61/563688661.db2.gz BDMDXOLASMZKBX-GFCCVEGCSA-N 1 0 380.432 2.835 20 0 GFADRO CC[C@H]([NH2+]CCc1nnc(C)s1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000289908569 563690829 /nfs/dbraw/zinc/69/08/29/563690829.db2.gz UGSCOPYLRKNHTG-ZDUSSCGKSA-N 1 0 388.946 2.691 20 0 GFADRO Cc1nc([C@@H]2CCC[N@H+](C[C@@H](O)COc3cccc(Br)c3)C2)no1 ZINC000360036874 563691126 /nfs/dbraw/zinc/69/11/26/563691126.db2.gz AQYIWDBWQWXVQC-UKRRQHHQSA-N 1 0 396.285 2.760 20 0 GFADRO C[C@H]([NH2+]Cc1ccc(S(=O)(=O)N(C)C)cc1)c1ccc(Br)nc1 ZINC000289929644 563691580 /nfs/dbraw/zinc/69/15/80/563691580.db2.gz VNTNJNINZXGLKW-LBPRGKRZSA-N 1 0 398.326 2.945 20 0 GFADRO O=C(c1ccc(C2SCCS2)cc1)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000360585313 563693579 /nfs/dbraw/zinc/69/35/79/563693579.db2.gz RCVAWZUKODUKIX-IRXDYDNUSA-N 1 0 378.563 2.836 20 0 GFADRO O=S1(=O)CCC[C@@H](C[NH2+]CC2=Cc3cc(Br)ccc3OC2)C1 ZINC000290198604 563700408 /nfs/dbraw/zinc/70/04/08/563700408.db2.gz UNGIQKBGGMYRPK-LBPRGKRZSA-N 1 0 386.311 2.639 20 0 GFADRO COc1cc(C[NH2+][C@@H](CO)c2ccc(Br)cc2)cc(OC)c1O ZINC000290226298 563701902 /nfs/dbraw/zinc/70/19/02/563701902.db2.gz FNKNGDKOQSUJLM-AWEZNQCLSA-N 1 0 382.254 2.995 20 0 GFADRO Cc1cc(Br)cc(CN2CC[NH+](C[C@@H](C)O)CC2)c1OC(F)F ZINC000438277857 563703114 /nfs/dbraw/zinc/70/31/14/563703114.db2.gz GSHARAVQGXQULK-GFCCVEGCSA-N 1 0 393.272 2.857 20 0 GFADRO CN(C)S(=O)(=O)CC[NH2+][C@H]1CCCc2nc(-c3ccc(F)cc3)sc21 ZINC000290298661 563703942 /nfs/dbraw/zinc/70/39/42/563703942.db2.gz YPVLJHUOQPKDIB-AWEZNQCLSA-N 1 0 383.514 2.808 20 0 GFADRO Cc1ccc(-c2csc(NC(=O)C(=O)N[C@H](C)C[N@H+](C)C(C)C)n2)s1 ZINC000290303171 563704862 /nfs/dbraw/zinc/70/48/62/563704862.db2.gz IUXPPTILCMDKGQ-LLVKDONJSA-N 1 0 380.539 2.963 20 0 GFADRO O=C(N[C@H](CO)C[NH+]1CCCCC1)c1cc(Cl)c(F)cc1Br ZINC000413794415 563706040 /nfs/dbraw/zinc/70/60/40/563706040.db2.gz CQEJVPROZMZTII-JTQLQIEISA-N 1 0 393.684 2.818 20 0 GFADRO Cc1c(C(=O)NCC2([NH+](C)C)CCC2)nnn1-c1cccc(Br)c1 ZINC000438509720 563706611 /nfs/dbraw/zinc/70/66/11/563706611.db2.gz GSGRKAGNEYYDSG-UHFFFAOYSA-N 1 0 392.301 2.552 20 0 GFADRO O=C(CCCc1ccc(Br)s1)N[C@@H](CO)C[NH+]1CCCCC1 ZINC000413808464 563706687 /nfs/dbraw/zinc/70/66/87/563706687.db2.gz RPPVZDIUVCTSSR-CYBMUJFWSA-N 1 0 389.359 2.796 20 0 GFADRO COC(=O)[C@@H]1CN(C(=O)CCCc2ccc(Cl)c(Cl)c2)CC[N@H+](C)C1 ZINC000413899487 563709505 /nfs/dbraw/zinc/70/95/05/563709505.db2.gz CYXBEILBAUSACE-AWEZNQCLSA-N 1 0 387.307 2.879 20 0 GFADRO C[NH+](C)CCOc1ccc(NC(=O)c2cc[nH]c(=O)c2Br)c(F)c1 ZINC000413913092 563710490 /nfs/dbraw/zinc/71/04/90/563710490.db2.gz JTMLMHHLGHDQJP-UHFFFAOYSA-N 1 0 398.232 2.882 20 0 GFADRO COC(=O)[C@H]1CN(C(=O)[C@@H]2C[C@@H]2c2cccc(Cl)c2Cl)CC[N@H+](C)C1 ZINC000413915265 563710507 /nfs/dbraw/zinc/71/05/07/563710507.db2.gz HLGLRPPYBVVXQL-MRVWCRGKSA-N 1 0 385.291 2.660 20 0 GFADRO O=C([C@H]1CC[N@@H+](Cc2cc(Br)c3c(c2)OCCO3)C1)N1CCCC1 ZINC000290483150 563711030 /nfs/dbraw/zinc/71/10/30/563711030.db2.gz ODXNRXNUKIVDMQ-AWEZNQCLSA-N 1 0 395.297 2.665 20 0 GFADRO CC[N@@H+](Cc1cnn(C)c1)C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000438831831 563711913 /nfs/dbraw/zinc/71/19/13/563711913.db2.gz AWXYBXBAHAIAJP-OAHLLOKOSA-N 1 0 386.265 2.584 20 0 GFADRO CC[N@@H+]1CC[C@@H](NC(=O)c2c(Cl)cccc2I)C1 ZINC000414003185 563714512 /nfs/dbraw/zinc/71/45/12/563714512.db2.gz DLBOUCVGOGTGMQ-SECBINFHSA-N 1 0 378.641 2.769 20 0 GFADRO C[NH+](C)C(C)(C)CNC(=O)[C@H]1CCCN(c2ccc(Br)cn2)C1 ZINC000363115055 563714969 /nfs/dbraw/zinc/71/49/69/563714969.db2.gz JUCVBWOMUNFYSO-ZDUSSCGKSA-N 1 0 383.334 2.517 20 0 GFADRO C[NH+](C)C[C@H]1CCN(C(=O)c2c(O)cnc3c(Br)cccc32)C1 ZINC000290606188 563715469 /nfs/dbraw/zinc/71/54/69/563715469.db2.gz DTKRADGTSHYUMS-LLVKDONJSA-N 1 0 378.270 2.727 20 0 GFADRO CC[NH+](CC)CC[C@H](CO)NC(=O)Nc1ccc(Br)c(OC)c1 ZINC000439017074 563716036 /nfs/dbraw/zinc/71/60/36/563716036.db2.gz ABWJGLLVCHKAPP-CYBMUJFWSA-N 1 0 388.306 2.672 20 0 GFADRO COc1ccc(Br)cc1NC(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000363221310 563717323 /nfs/dbraw/zinc/71/73/23/563717323.db2.gz PHTXTNOSNHEVCR-GJZGRUSLSA-N 1 0 398.301 2.521 20 0 GFADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@@H](c1ccsc1)N(C)C ZINC000414076229 563717918 /nfs/dbraw/zinc/71/79/18/563717918.db2.gz YCUKWPWIPOJWKC-DOMZBBRYSA-N 1 0 384.343 2.953 20 0 GFADRO C[C@@H]([NH2+]C[C@H](O)COc1ccc(I)cc1)[C@H]1C[C@H]1C ZINC000414077323 563717946 /nfs/dbraw/zinc/71/79/46/563717946.db2.gz PUANDIODLWHWOA-ZSEWYUTFSA-N 1 0 375.250 2.665 20 0 GFADRO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@@H](c1ccsc1)N(C)C ZINC000414076232 563717999 /nfs/dbraw/zinc/71/79/99/563717999.db2.gz YCUKWPWIPOJWKC-WFASDCNBSA-N 1 0 384.343 2.953 20 0 GFADRO C[C@H](Cn1cc(Br)ccc1=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000414115875 563719380 /nfs/dbraw/zinc/71/93/80/563719380.db2.gz PWDJCVSTLVBQNL-PBHICJAKSA-N 1 0 382.346 2.853 20 0 GFADRO C[NH+]1CCN(C[C@H](O)COc2c(Cl)cc(Cl)cc2Br)CC1 ZINC000414129926 563720443 /nfs/dbraw/zinc/72/04/43/563720443.db2.gz WDRBFLXIMBHBDP-NSHDSACASA-N 1 0 398.128 2.743 20 0 GFADRO COc1ccc(C[C@@H](C)[NH2+][C@@H](C(N)=O)c2cccc(Br)c2)cn1 ZINC000414126850 563720516 /nfs/dbraw/zinc/72/05/16/563720516.db2.gz FRLSFZSIKMWMND-BDJLRTHQSA-N 1 0 378.270 2.600 20 0 GFADRO CC[C@@]1(CO)CCC[N@@H+]1C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000439291506 563722129 /nfs/dbraw/zinc/72/21/29/563722129.db2.gz DGDDAKFYNUOMKY-ZBFHGGJFSA-N 1 0 376.266 2.565 20 0 GFADRO CN(CCOc1ccc(Br)cc1)C(=O)C[N@H+](C)[C@H]1CC[C@H](O)CC1 ZINC000439299208 563722262 /nfs/dbraw/zinc/72/22/62/563722262.db2.gz WGHMWXPAERKRQT-WKILWMFISA-N 1 0 399.329 2.522 20 0 GFADRO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+][C@@H](COC)C2CCOCC2)c1 ZINC000414207581 563722630 /nfs/dbraw/zinc/72/26/30/563722630.db2.gz HNAIRIHMXXMNDB-KRWDZBQOSA-N 1 0 375.918 2.665 20 0 GFADRO CO[C@H]1c2ccccc2C[C@H]1[NH2+][C@@H](C)Cn1cc(Br)ccc1=O ZINC000414217698 563722752 /nfs/dbraw/zinc/72/27/52/563722752.db2.gz CBPDOVASUVIIEF-XZOAIXRZSA-N 1 0 377.282 2.901 20 0 GFADRO COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]CCC(C)(C)S(C)(=O)=O ZINC000414266110 563723870 /nfs/dbraw/zinc/72/38/70/563723870.db2.gz RCORPBWFEGHESD-LBPRGKRZSA-N 1 0 390.933 2.869 20 0 GFADRO CCn1cc([C@@H]2OCC[C@H]2C[NH2+][C@H](C)Cn2cc(Br)cn2)cn1 ZINC000414255618 563724132 /nfs/dbraw/zinc/72/41/32/563724132.db2.gz VFIGXQWDIBGVPC-DVOMOZLQSA-N 1 0 382.306 2.618 20 0 GFADRO CC(C)(C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccc(Br)cc1 ZINC000363487192 563724690 /nfs/dbraw/zinc/72/46/90/563724690.db2.gz JQYQRYBZHYTLCI-HZPDHXFCSA-N 1 0 381.314 2.706 20 0 GFADRO O[C@@H](COc1cc(F)cc(Br)c1)C[N@H+](C[C@H]1CCOC1)C1CC1 ZINC000439434728 563724742 /nfs/dbraw/zinc/72/47/42/563724742.db2.gz CGMJMBZONCQBDR-MLGOLLRUSA-N 1 0 388.277 2.829 20 0 GFADRO COc1cc(C[NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)ccc1C ZINC000414291259 563725079 /nfs/dbraw/zinc/72/50/79/563725079.db2.gz AYEGGQMDDIDGNI-UHFFFAOYSA-N 1 0 399.310 2.703 20 0 GFADRO OCCCC[N@H+](C[C@H](O)COc1cc(F)cc(Br)c1)C1CC1 ZINC000439454190 563725718 /nfs/dbraw/zinc/72/57/18/563725718.db2.gz QVLBJXRLTHUJGV-HNNXBMFYSA-N 1 0 376.266 2.565 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+][C@H]2CCc3c2cccc3O)cc1Br ZINC000414321333 563726096 /nfs/dbraw/zinc/72/60/96/563726096.db2.gz CLIXKNMFMPRVBN-AWEZNQCLSA-N 1 0 397.294 2.579 20 0 GFADRO CC[C@H]([NH2+]CCCCn1cc(C(N)=O)nn1)c1cccc(Br)c1 ZINC000414352908 563729208 /nfs/dbraw/zinc/72/92/08/563729208.db2.gz QQHRMWPPYPPYED-AWEZNQCLSA-N 1 0 380.290 2.661 20 0 GFADRO CS[C@H]1CCC[C@@H]([NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)C1 ZINC000414392606 563732832 /nfs/dbraw/zinc/73/28/32/563732832.db2.gz MZOYGJAUTQRQLM-NEPJUHHUSA-N 1 0 393.372 2.860 20 0 GFADRO CS[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)C1 ZINC000414392609 563732908 /nfs/dbraw/zinc/73/29/08/563732908.db2.gz MZOYGJAUTQRQLM-VXGBXAGGSA-N 1 0 393.372 2.860 20 0 GFADRO COc1nc(C)c(Br)cc1C(=O)N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000363780839 563732954 /nfs/dbraw/zinc/73/29/54/563732954.db2.gz PFPRPUIXSQPRCD-BJJXKVORSA-N 1 0 394.313 2.717 20 0 GFADRO COC(=O)c1cc(C[NH2+][C@H](CO)c2cccc(Br)c2)n(C)c1C ZINC000291173631 563733739 /nfs/dbraw/zinc/73/37/39/563733739.db2.gz KCUCNCVCFFXPGK-MRXNPFEDSA-N 1 0 381.270 2.706 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC000363828913 563734656 /nfs/dbraw/zinc/73/46/56/563734656.db2.gz QUUWEFZTUWOAJC-HNNXBMFYSA-N 1 0 394.313 2.544 20 0 GFADRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NS(=O)(=O)c1ccccc1OC(F)(F)F ZINC000440085424 563736155 /nfs/dbraw/zinc/73/61/55/563736155.db2.gz APJVBKZEBUTKBQ-CHWSQXEVSA-N 1 0 380.432 2.984 20 0 GFADRO C[C@@H]([NH2+]C[C@H]1CCN(S(C)(=O)=O)C1)c1csc(-c2ccccc2F)n1 ZINC000291266468 563737110 /nfs/dbraw/zinc/73/71/10/563737110.db2.gz QJITURNPARBRDQ-CHWSQXEVSA-N 1 0 383.514 2.881 20 0 GFADRO O[C@@H](COC1CCOCC1)C[N@@H+]1CCCc2c(Br)cccc2C1 ZINC000364045816 563740625 /nfs/dbraw/zinc/74/06/25/563740625.db2.gz NZZJNFNAYCTVQR-OAHLLOKOSA-N 1 0 384.314 2.754 20 0 GFADRO COc1nc(N[C@@H]2CC[N@H+](C[C@H]3CCCO3)C[C@H]2C)ncc1Br ZINC000364042290 563740699 /nfs/dbraw/zinc/74/06/99/563740699.db2.gz PAQNLSIBIVEYJZ-YRGRVCCFSA-N 1 0 385.306 2.549 20 0 GFADRO C[NH+]1CCC(CCNC(=O)[C@@H]2CCCN2C(=O)c2ccc(Cl)s2)CC1 ZINC000364052213 563741393 /nfs/dbraw/zinc/74/13/93/563741393.db2.gz NPQZTFNDRGMXQI-AWEZNQCLSA-N 1 0 383.945 2.854 20 0 GFADRO [NH3+]C[C@H](NS(=O)(=O)c1ccc(OCC(F)(F)F)cc1)C1CCCCC1 ZINC000440417047 563741467 /nfs/dbraw/zinc/74/14/67/563741467.db2.gz PBJYCRDCYVCPGH-HNNXBMFYSA-N 1 0 380.432 2.814 20 0 GFADRO O=S(=O)(c1cc(Br)sc1Cl)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000440402480 563741593 /nfs/dbraw/zinc/74/15/93/563741593.db2.gz CRIUHCOSQSJLCC-SFYZADRCSA-N 1 0 385.736 2.679 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S(=O)(=O)CC[NH2+][C@H](C)[C@@H](C)CC ZINC000440525985 563743816 /nfs/dbraw/zinc/74/38/16/563743816.db2.gz WGTAISAPJHKHFU-LSDHHAIUSA-N 1 0 375.556 2.668 20 0 GFADRO C[C@@H]([NH3+])C1CCN(C(=O)[C@@H]2CCCN(c3ccc(Br)cn3)C2)CC1 ZINC000364139695 563744463 /nfs/dbraw/zinc/74/44/63/563744463.db2.gz OCNNLOUVQDZXNN-UKRRQHHQSA-N 1 0 395.345 2.646 20 0 GFADRO COC(=O)[C@@H]1CN(Cc2ccnc3c(Br)cccc23)CC[N@H+](C)C1 ZINC000414494144 563744706 /nfs/dbraw/zinc/74/47/06/563744706.db2.gz UWGXKHDYRFVYHZ-AWEZNQCLSA-N 1 0 392.297 2.534 20 0 GFADRO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@H](CO)[C@H]1CCCOC1 ZINC000414551162 563746056 /nfs/dbraw/zinc/74/60/56/563746056.db2.gz JRBPYEFPXLRCMB-DVOMOZLQSA-N 1 0 385.302 2.543 20 0 GFADRO C[N@@H+]1CCN(CCNc2nnc(Cc3ccc(Cl)cc3)s2)CC1(C)C ZINC000440677730 563747498 /nfs/dbraw/zinc/74/74/98/563747498.db2.gz TVJIVRHNECUGPK-UHFFFAOYSA-N 1 0 379.961 3.220 20 0 GFADRO C[N@@H+]1CCN(CCNc2ccnc3cc(Br)cnc32)CC1(C)C ZINC000440679350 563747667 /nfs/dbraw/zinc/74/76/67/563747667.db2.gz VWFSOYNGFUGMLW-UHFFFAOYSA-N 1 0 378.318 2.830 20 0 GFADRO CCC[N@H+](CC)C[C@@H](C)NC(=O)C[C@@](O)(c1nc(C)cs1)C(F)(F)F ZINC000291570617 563747903 /nfs/dbraw/zinc/74/79/03/563747903.db2.gz OZYZOAZJUJPGCE-IAQYHMDHSA-N 1 0 381.464 2.828 20 0 GFADRO O=C(N1CCC[C@@H]1c1csc([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)n1)C(F)(F)F ZINC000364287904 563748229 /nfs/dbraw/zinc/74/82/29/563748229.db2.gz GGCOLEQHZCZZIP-RTXFEEFZSA-N 1 0 375.416 2.905 20 0 GFADRO [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)Nc1ccccc1I ZINC000414668177 563749201 /nfs/dbraw/zinc/74/92/01/563749201.db2.gz ZNNTVXPOWFJHDX-QLHKPRNWSA-N 1 0 385.249 2.929 20 0 GFADRO COc1cc(Br)cc(S(=O)(=O)NCc2ccc([C@H](C)[NH3+])cc2)c1 ZINC000440761347 563749594 /nfs/dbraw/zinc/74/95/94/563749594.db2.gz PGJHKFTVDGUMEA-NSHDSACASA-N 1 0 399.310 2.956 20 0 GFADRO COc1cc(C)c(S(=O)(=O)NCCC[NH2+]Cc2cccnc2)cc1Cl ZINC000440765460 563749695 /nfs/dbraw/zinc/74/96/95/563749695.db2.gz XAPGKTYFYIVXET-UHFFFAOYSA-N 1 0 383.901 2.510 20 0 GFADRO O=C(Nc1cccc(I)c1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000414696108 563750071 /nfs/dbraw/zinc/75/00/71/563750071.db2.gz POVUFBRHGCEYMS-TXEJJXNPSA-N 1 0 385.249 2.755 20 0 GFADRO CC[N@H+](C)C[C@H]1CCN(S(=O)(=O)CCc2ccccc2Br)C1 ZINC000291625912 563750672 /nfs/dbraw/zinc/75/06/72/563750672.db2.gz FXMVSZXNXVZHDI-CQSZACIVSA-N 1 0 389.359 2.595 20 0 GFADRO CN1C(=O)C[C@@H](C(=O)NC2CC[NH+](C)CC2)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000364349353 563750725 /nfs/dbraw/zinc/75/07/25/563750725.db2.gz BICWEISPDJWECW-DYVFJYSZSA-N 1 0 384.307 2.723 20 0 GFADRO C[C@@H]1CCN(C(=O)Nc2nnc(SCc3ccccc3)s2)C[C@H]1C[NH3+] ZINC000414714837 563751068 /nfs/dbraw/zinc/75/10/68/563751068.db2.gz VXMPVITYWRWZGC-TZMCWYRMSA-N 1 0 377.539 3.279 20 0 GFADRO CO[C@H]1CCN(S(=O)(=O)c2c(C)sc3ccc(Cl)cc32)[C@H](C[NH3+])C1 ZINC000440855508 563752550 /nfs/dbraw/zinc/75/25/50/563752550.db2.gz NYUQYWDCIMBPEI-STQMWFEESA-N 1 0 388.942 2.990 20 0 GFADRO COc1ccc([C@H]2CC[NH2+]C[C@@H]2NS(=O)(=O)c2cccc(Cl)c2)cc1 ZINC000440865296 563752561 /nfs/dbraw/zinc/75/25/61/563752561.db2.gz ORQHMDGYLRQPNZ-MSOLQXFVSA-N 1 0 380.897 2.773 20 0 GFADRO O=C(Nc1ccn(-c2cc[nH+]cc2)n1)c1cc(F)c(F)cc1Br ZINC000440868192 563753012 /nfs/dbraw/zinc/75/30/12/563753012.db2.gz ZNXKQTGULYNUKM-UHFFFAOYSA-N 1 0 379.164 3.560 20 0 GFADRO Brc1ccc(CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)c(N2CCOCC2)c1 ZINC000414823497 563753634 /nfs/dbraw/zinc/75/36/34/563753634.db2.gz DMSSUSXUDBERSN-SJPCQFCGSA-N 1 0 380.330 2.658 20 0 GFADRO COc1ccc(Br)c(C[NH2+][C@@H]2CCCC[C@H]2S(C)(=O)=O)c1 ZINC000291684963 563753685 /nfs/dbraw/zinc/75/36/85/563753685.db2.gz IEPHOCUUDXZQEK-HUUCEWRRSA-N 1 0 376.316 2.903 20 0 GFADRO C[N@@H+]1CCN(CCNC(=O)NCCc2cccc(Cl)c2Cl)CC1(C)C ZINC000440976026 563754115 /nfs/dbraw/zinc/75/41/15/563754115.db2.gz HBQHUCXLTROAHH-UHFFFAOYSA-N 1 0 387.355 2.861 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)Nc2cc(Br)ccc2N2CCOCC2)CC[NH2+]1 ZINC000414937285 563754387 /nfs/dbraw/zinc/75/43/87/563754387.db2.gz XAXAVBVYALUFRK-OCCSQVGLSA-N 1 0 397.317 2.548 20 0 GFADRO [NH3+][C@H]1CCC[C@@H](NC(=O)Nc2cc(Br)ccc2N2CCOCC2)C1 ZINC000414928833 563754402 /nfs/dbraw/zinc/75/44/02/563754402.db2.gz NMQIXVLPWFUYPO-UONOGXRCSA-N 1 0 397.317 2.677 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)C[C@@H]1CCC[NH2+]CC1 ZINC000364481407 563754652 /nfs/dbraw/zinc/75/46/52/563754652.db2.gz HURMIDBLUDLVRI-CQSZACIVSA-N 1 0 396.329 2.934 20 0 GFADRO COC[C@@]1(CNCc2cccc(Br)c2OC(F)F)CCC[NH2+]1 ZINC000414948529 563755628 /nfs/dbraw/zinc/75/56/28/563755628.db2.gz XNWRBMUCQATWSQ-HNNXBMFYSA-N 1 0 379.245 2.909 20 0 GFADRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2nc(C3CC3)ncc2Br)C1 ZINC000291757083 563757418 /nfs/dbraw/zinc/75/74/18/563757418.db2.gz MFXMZXBIHHBZSS-TZMCWYRMSA-N 1 0 379.302 2.673 20 0 GFADRO C[C@@H]1C[C@@H](N(C)S(=O)(=O)CCc2ccccc2Br)CC[N@@H+]1C ZINC000291781159 563757772 /nfs/dbraw/zinc/75/77/72/563757772.db2.gz WVFPKLILEDUGFP-HIFRSBDPSA-N 1 0 389.359 2.736 20 0 GFADRO CN(CC[C@@H]1CCCC[N@@H+]1C)C[C@@H](O)COc1ccc(Br)cc1 ZINC000441348551 563758390 /nfs/dbraw/zinc/75/83/90/563758390.db2.gz CNBBOUKKHOFVAH-DLBZAZTESA-N 1 0 385.346 2.995 20 0 GFADRO COc1ccc(I)c(NC(=O)N[C@@](C)(C[NH3+])C(C)C)c1 ZINC000415074322 563758507 /nfs/dbraw/zinc/75/85/07/563758507.db2.gz PAFIRTWTDSZRCD-AWEZNQCLSA-N 1 0 391.253 2.795 20 0 GFADRO COc1ccc(I)c(NC(=O)N(C)[C@H](C[NH3+])C2CC2)c1 ZINC000415080945 563758754 /nfs/dbraw/zinc/75/87/54/563758754.db2.gz ZHVNGYVPHBXSHO-CYBMUJFWSA-N 1 0 389.237 2.501 20 0 GFADRO C[C@](O)(C[NH2+]C1CCN(S(=O)(=O)c2cccs2)CC1)C1CCCCC1 ZINC000364584016 563758774 /nfs/dbraw/zinc/75/87/74/563758774.db2.gz HQEQCTRUQCHWHH-SFHVURJKSA-N 1 0 386.583 2.822 20 0 GFADRO O=C(NC1CC[NH+](CC2CC2)CC1)c1nc(C2CC2)ncc1Br ZINC000291807931 563759533 /nfs/dbraw/zinc/75/95/33/563759533.db2.gz RBHFMEWURPSDNP-UHFFFAOYSA-N 1 0 379.302 2.721 20 0 GFADRO CCOc1ccc(Br)cc1NC(=O)N1CC[C@H](OC)C[C@@H]1C[NH3+] ZINC000415126628 563760133 /nfs/dbraw/zinc/76/01/33/563760133.db2.gz PVYPRJWWHURVEJ-OLZOCXBDSA-N 1 0 386.290 2.818 20 0 GFADRO C[C@H](CCC[NH3+])NC(=O)Nc1cc(F)c(I)c(F)c1 ZINC000415125671 563760330 /nfs/dbraw/zinc/76/03/30/563760330.db2.gz SMQIPDCKQZLSHG-SSDOTTSWSA-N 1 0 383.180 2.818 20 0 GFADRO [NH3+]Cc1cn([C@H]2CCCN(Cc3ccc(Cl)cc3Br)C2)nn1 ZINC000415129752 563760595 /nfs/dbraw/zinc/76/05/95/563760595.db2.gz POSJMVYQBVOXDK-AWEZNQCLSA-N 1 0 384.709 2.990 20 0 GFADRO O=C(NC[C@H]1CCC[NH2+]C1)Nc1cc(Br)ccc1-n1cccn1 ZINC000415151277 563761071 /nfs/dbraw/zinc/76/10/71/563761071.db2.gz AFGLBBPFVRYXET-LBPRGKRZSA-N 1 0 378.274 2.756 20 0 GFADRO CCCOc1c(Br)cc(CN2CCC(O)(C[NH3+])CC2)cc1OC ZINC000415146259 563761139 /nfs/dbraw/zinc/76/11/39/563761139.db2.gz YAZXCTQSHVDHHD-UHFFFAOYSA-N 1 0 387.318 2.532 20 0 GFADRO CSc1ccc(NC(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])cc1Cl ZINC000415242192 563763626 /nfs/dbraw/zinc/76/36/26/563763626.db2.gz NPMHGYVTQRXQSU-CYBMUJFWSA-N 1 0 384.933 2.913 20 0 GFADRO [NH3+]C[C@H]1CCCCN1C(=O)Nc1ccc(F)cc1I ZINC000415254463 563764050 /nfs/dbraw/zinc/76/40/50/563764050.db2.gz SKCADYPKOAZHAU-SNVBAGLBSA-N 1 0 377.201 2.775 20 0 GFADRO C[N@@H+]1CCC[C@H](CNS(=O)(=O)C[C@H]2CCOC2)[C@@H]1c1cccc(Cl)c1 ZINC000364791526 563764056 /nfs/dbraw/zinc/76/40/56/563764056.db2.gz KDYMEHYNXCYMFE-LESCRADOSA-N 1 0 386.945 2.679 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)Nc2ccc(F)cc2I)CC[NH2+]1 ZINC000415255049 563764140 /nfs/dbraw/zinc/76/41/40/563764140.db2.gz UNGCAMQDCIAHGI-PSASIEDQSA-N 1 0 377.201 2.692 20 0 GFADRO O=C(Nc1cc(I)ccc1Cl)NC1CC[NH2+]CC1 ZINC000415260022 563764178 /nfs/dbraw/zinc/76/41/78/563764178.db2.gz ACGOZJHVTSKASF-UHFFFAOYSA-N 1 0 379.629 2.818 20 0 GFADRO CC1(CNC(=O)Nc2ccc(F)cc2I)CC[NH2+]CC1 ZINC000415252388 563764287 /nfs/dbraw/zinc/76/42/87/563764287.db2.gz OFOAXTGPZZGFNL-UHFFFAOYSA-N 1 0 391.228 2.942 20 0 GFADRO O=C(Nc1ccc(F)cc1I)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000415255694 563764346 /nfs/dbraw/zinc/76/43/46/563764346.db2.gz VQQYQNYHYSZXRU-CQSZACIVSA-N 1 0 389.212 2.648 20 0 GFADRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)Nc1ccc(F)cc1I ZINC000415255936 563764371 /nfs/dbraw/zinc/76/43/71/563764371.db2.gz VXXCOXFYGKKMHB-PRHODGIISA-N 1 0 377.201 2.550 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)NCC1([NH3+])CCCCC1 ZINC000415282226 563765283 /nfs/dbraw/zinc/76/52/83/563765283.db2.gz PQJSODRLWMPXMB-UHFFFAOYSA-N 1 0 382.302 2.782 20 0 GFADRO CSCC[C@@H]1NC(=S)N([C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1=O ZINC000364867039 563766083 /nfs/dbraw/zinc/76/60/83/563766083.db2.gz BWEBILOXNZVBLG-OIISXLGYSA-N 1 0 377.579 2.735 20 0 GFADRO CC[C@@H]([NH3+])CNC(=O)Nc1cccc(Oc2ncc(Br)cn2)c1 ZINC000415306034 563766781 /nfs/dbraw/zinc/76/67/81/563766781.db2.gz TUMIIHYJEMJIQG-LLVKDONJSA-N 1 0 380.246 2.890 20 0 GFADRO COc1cc(Br)cc(NC(=O)C(=O)NCC2([NH3+])CCCCCC2)c1 ZINC000415312338 563766970 /nfs/dbraw/zinc/76/69/70/563766970.db2.gz GBJYOKJKCYDNOO-UHFFFAOYSA-N 1 0 398.301 2.564 20 0 GFADRO COC(=O)c1ccc(S(=O)(=O)NC[C@H](C)[N@@H+]2CCCC[C@H]2C)cc1Cl ZINC000441984050 563767061 /nfs/dbraw/zinc/76/70/61/563767061.db2.gz BNABYSICSLOQJJ-OLZOCXBDSA-N 1 0 388.917 2.668 20 0 GFADRO C[C@H]1[C@@H](NC(=O)c2c[nH]c(=O)c(Br)c2)CC[N@@H+]1Cc1ccccc1 ZINC000291964595 563767108 /nfs/dbraw/zinc/76/71/08/563767108.db2.gz WXCMKAJPDMPWEX-LRDDRELGSA-N 1 0 390.281 2.943 20 0 GFADRO COC(=O)c1cc(Br)ccc1NC(=O)NCCC1=CC[NH2+]CC1 ZINC000415340238 563768128 /nfs/dbraw/zinc/76/81/28/563768128.db2.gz ZUDZKHSAXJBBDL-UHFFFAOYSA-N 1 0 382.258 2.667 20 0 GFADRO CON(C)C(=O)C1CC[NH+](CCC(=O)Nc2ccc(Br)cc2)CC1 ZINC000291998848 563768203 /nfs/dbraw/zinc/76/82/03/563768203.db2.gz XFUKLGYWDHGTPB-UHFFFAOYSA-N 1 0 398.301 2.510 20 0 GFADRO C[C@H]1C[C@@H](NC(=O)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC[N@@H+]1C ZINC000442138476 563768236 /nfs/dbraw/zinc/76/82/36/563768236.db2.gz PFDKSOZHNZOHJP-ONGXEEELSA-N 1 0 377.794 2.896 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)C(=O)Nc2ccc(Br)cc2Cl)CC[N@@H+]1C ZINC000442156496 563768787 /nfs/dbraw/zinc/76/87/87/563768787.db2.gz XCNHVQAHHRFYBC-MWLCHTKSSA-N 1 0 388.693 2.640 20 0 GFADRO CCOC(=O)c1cc(Br)ccc1NC(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000415349796 563768893 /nfs/dbraw/zinc/76/88/93/563768893.db2.gz MEWGXQZIGMXPMG-VXGBXAGGSA-N 1 0 396.285 2.699 20 0 GFADRO C[C@H](CO)[N@@H+]1CCCN(C(=O)CCCOc2ccccc2Br)CC1 ZINC000364920711 563768882 /nfs/dbraw/zinc/76/88/82/563768882.db2.gz GWHXHJHXPRQNJZ-OAHLLOKOSA-N 1 0 399.329 2.523 20 0 GFADRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)Nc1cnn(-c2ccccc2Br)c1 ZINC000415351392 563769283 /nfs/dbraw/zinc/76/92/83/563769283.db2.gz HUSSEASNSFLMHH-NWDGAFQWSA-N 1 0 378.274 2.849 20 0 GFADRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)Nc1cccc(F)c1I ZINC000415353271 563769380 /nfs/dbraw/zinc/76/93/80/563769380.db2.gz CLQUUOKVYQLNKF-IUCAKERBSA-N 1 0 377.201 2.631 20 0 GFADRO C[C@H]1C[C@@H](NC(=O)Nc2cnn(-c3ccccc3Br)c2)CC[NH2+]1 ZINC000415353560 563769565 /nfs/dbraw/zinc/76/95/65/563769565.db2.gz MQWICVVFODGYQR-RYUDHWBXSA-N 1 0 378.274 2.897 20 0 GFADRO C[C@@H]1[C@@H](C)N(C(=O)C(=O)Nc2cc(Cl)ccc2Br)CCN1C ZINC000442248556 563769828 /nfs/dbraw/zinc/76/98/28/563769828.db2.gz FHQQWEWMOXFJTM-NXEZZACHSA-N 1 0 388.693 2.592 20 0 GFADRO Cc1cnc(Br)c(NC(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)c1 ZINC000292015727 563769955 /nfs/dbraw/zinc/76/99/55/563769955.db2.gz JDBVNAPUFFWYAM-ZDUSSCGKSA-N 1 0 385.306 2.775 20 0 GFADRO [NH3+]C[C@H]1CCCCN1C(=O)Nc1cccc(F)c1I ZINC000415366844 563771254 /nfs/dbraw/zinc/77/12/54/563771254.db2.gz XARBXIMBMYVQIQ-SECBINFHSA-N 1 0 377.201 2.775 20 0 GFADRO Cc1cc(F)c(NC(=O)N2CCC([NH3+])CC2)c(I)c1 ZINC000415389476 563771745 /nfs/dbraw/zinc/77/17/45/563771745.db2.gz JBOHIZXEUVVATQ-UHFFFAOYSA-N 1 0 377.201 2.694 20 0 GFADRO C[C@H](c1ccccc1)[C@H]([NH2+]C[C@H](O)c1ccccc1Br)C(N)=O ZINC000292063851 563771810 /nfs/dbraw/zinc/77/18/10/563771810.db2.gz CFQHQHMKJQQPES-DQYPLSBCSA-N 1 0 377.282 2.730 20 0 GFADRO Cc1cc(F)c(NC(=O)NC[C@@H]([NH3+])C2CC2)c(I)c1 ZINC000415383795 563772096 /nfs/dbraw/zinc/77/20/96/563772096.db2.gz CDRFIGASKDZTDH-LLVKDONJSA-N 1 0 377.201 2.598 20 0 GFADRO CS(=O)(=O)c1cccc(OCCN2CCC(n3cc(Cl)cn3)CC2)c1 ZINC000365045269 563772112 /nfs/dbraw/zinc/77/21/12/563772112.db2.gz UFDYYZPPQINSAW-UHFFFAOYSA-N 1 0 383.901 2.656 20 0 GFADRO C[C@@H]1CN(S(=O)(=O)c2cccnc2C(F)(F)F)CC[N@@H+](C2CCC2)C1 ZINC000292066431 563772676 /nfs/dbraw/zinc/77/26/76/563772676.db2.gz PHFDDWNPJHURIZ-LBPRGKRZSA-N 1 0 377.432 2.595 20 0 GFADRO COC(=O)c1nc(N[C@H]2CC[N@H+](Cc3cnc(C)s3)C[C@H]2C)sc1C ZINC000365052797 563772741 /nfs/dbraw/zinc/77/27/41/563772741.db2.gz KKMBOIXWSAQBJB-YGRLFVJLSA-N 1 0 380.539 3.326 20 0 GFADRO COC(=O)c1cc(NC(=O)N[C@H]2CCCC[C@@H]2C[NH3+])ccc1Br ZINC000415404591 563773054 /nfs/dbraw/zinc/77/30/54/563773054.db2.gz LSHUSAMCPMECMV-YGRLFVJLSA-N 1 0 384.274 2.875 20 0 GFADRO COc1cc(NC(=O)NCC[C@H]2CCC[NH2+]C2)cc(OC)c1Br ZINC000415405696 563773166 /nfs/dbraw/zinc/77/31/66/563773166.db2.gz CWYTVMSLICYUJJ-LLVKDONJSA-N 1 0 386.290 2.978 20 0 GFADRO COC(=O)c1cc(NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)ccc1Br ZINC000415402265 563773173 /nfs/dbraw/zinc/77/31/73/563773173.db2.gz IRDWOKHAFVSDIH-QYJAPNMZSA-N 1 0 396.285 2.982 20 0 GFADRO CCCN(C(=O)C(=O)Nc1ccc(Br)cc1Cl)[C@@H]1CC[NH2+]C1 ZINC000415409905 563773655 /nfs/dbraw/zinc/77/36/55/563773655.db2.gz UPPYUCXJYDZVQC-LLVKDONJSA-N 1 0 388.693 2.642 20 0 GFADRO O=C(NCC[C@H]1CCC[NH2+]C1)C(=O)Nc1cccc(Cl)c1Br ZINC000415415489 563773723 /nfs/dbraw/zinc/77/37/23/563773723.db2.gz QUUIAOHSMPDQBX-SNVBAGLBSA-N 1 0 388.693 2.547 20 0 GFADRO C[N@@H+]1CC[C@]2(CCN(S(=O)(=O)c3c(Cl)cccc3Br)C2)C1 ZINC000292102959 563773853 /nfs/dbraw/zinc/77/38/53/563773853.db2.gz UODYJFKDZXPPPD-AWEZNQCLSA-N 1 0 393.734 2.819 20 0 GFADRO [NH3+]CC[C@H]1CCCN(C(=O)c2cc(=O)[nH]c3ccc(Br)cc32)C1 ZINC000442593762 563774283 /nfs/dbraw/zinc/77/42/83/563774283.db2.gz AMXRDLNFVZRQTR-LLVKDONJSA-N 1 0 378.270 2.904 20 0 GFADRO COc1cc(NC(=O)NCC2(C)CC[NH2+]CC2)cc(OC)c1Br ZINC000415418841 563774362 /nfs/dbraw/zinc/77/43/62/563774362.db2.gz ZEKDPXQVADUTLI-UHFFFAOYSA-N 1 0 386.290 2.978 20 0 GFADRO [NH3+]CC[C@@H]1CCCN(C(=O)c2cc(=O)[nH]c3ccc(Br)cc32)C1 ZINC000442593765 563774453 /nfs/dbraw/zinc/77/44/53/563774453.db2.gz AMXRDLNFVZRQTR-NSHDSACASA-N 1 0 378.270 2.904 20 0 GFADRO Cc1ccc(I)cc1C(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000292107394 563774513 /nfs/dbraw/zinc/77/45/13/563774513.db2.gz FPKVLUYUWBFGKE-INIZCTEOSA-N 1 0 384.261 2.767 20 0 GFADRO CC(C)[C@H]([NH3+])CCN(C)C(=O)Nc1ccc(S(C)(=O)=O)c(C(F)F)c1 ZINC000415425599 563775121 /nfs/dbraw/zinc/77/51/21/563775121.db2.gz CTDIWRIZPCBTGX-CYBMUJFWSA-N 1 0 377.457 2.865 20 0 GFADRO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(-c3ccc(Cl)s3)nc2)CC[C@H]1[NH3+] ZINC000415434172 563775585 /nfs/dbraw/zinc/77/55/85/563775585.db2.gz AWBNHKDVZXLBEU-ZYHUDNBSSA-N 1 0 378.885 2.598 20 0 GFADRO [NH3+]C[C@H](NC(=O)C(=O)Nc1cc(F)ccc1Br)C1CCCCC1 ZINC000415434536 563775596 /nfs/dbraw/zinc/77/55/96/563775596.db2.gz YKYJDQKEKUPJNQ-AWEZNQCLSA-N 1 0 386.265 2.551 20 0 GFADRO CCOc1c(Cl)cc(NC(=O)C(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)cc1Cl ZINC000415442098 563776217 /nfs/dbraw/zinc/77/62/17/563776217.db2.gz PSPRPRYFFWXHIQ-QWRGUYRKSA-N 1 0 388.295 2.916 20 0 GFADRO C[C@@H](CCCC[NH3+])NC(=O)CCC[S@@](=O)c1ccc(Br)cc1 ZINC000292158863 563776566 /nfs/dbraw/zinc/77/65/66/563776566.db2.gz UXOVSMXZUPLXFV-WHEQGISXSA-N 1 0 389.359 2.971 20 0 GFADRO O=S(=O)(c1cccc(Cl)c1Br)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000365191985 563777018 /nfs/dbraw/zinc/77/70/18/563777018.db2.gz UWUQOLRVHQSAPG-NSHDSACASA-N 1 0 393.734 2.961 20 0 GFADRO COC(=O)c1cc(Br)c(F)cc1NC(=O)N1CCCC[C@H]1C[NH3+] ZINC000415471762 563777565 /nfs/dbraw/zinc/77/75/65/563777565.db2.gz RPXNSVUMHRBGRJ-VIFPVBQESA-N 1 0 388.237 2.720 20 0 GFADRO COC(=O)c1cc(Br)c(F)cc1NC(=O)N1C[C@@H](C[NH3+])C[C@H]1C ZINC000415470113 563777682 /nfs/dbraw/zinc/77/76/82/563777682.db2.gz NKDSMDLHIQLVSF-RKDXNWHRSA-N 1 0 388.237 2.576 20 0 GFADRO CCC([NH3+])(CC)CNC(=O)C(=O)Nc1ccc(Br)c2cccnc12 ZINC000415476346 563778333 /nfs/dbraw/zinc/77/83/33/563778333.db2.gz SRSFENCRXRDRON-UHFFFAOYSA-N 1 0 393.285 2.570 20 0 GFADRO CCc1nc(CN2C[C@@H]3CN(Cc4ccc(Br)o4)C[C@@H]3C2)no1 ZINC000365256364 563778486 /nfs/dbraw/zinc/77/84/86/563778486.db2.gz MZWXGHROFBCKGA-TXEJJXNPSA-N 1 0 381.274 2.551 20 0 GFADRO CCCC[C@@H](C[NH3+])NC(=O)C(=O)Nc1ccc(Cl)c(Br)c1 ZINC000415489775 563779085 /nfs/dbraw/zinc/77/90/85/563779085.db2.gz BMTLQCZBFQRLPL-JTQLQIEISA-N 1 0 376.682 2.675 20 0 GFADRO O=C(Nc1cc(C(F)(F)F)ccc1Cl)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000415494350 563779118 /nfs/dbraw/zinc/77/91/18/563779118.db2.gz ZICGRRUGQCVWFL-MNOVXSKESA-N 1 0 375.778 2.650 20 0 GFADRO CCCC[C@H](C[NH3+])NC(=O)C(=O)Nc1cc2c(cc1Br)CCC2 ZINC000415496353 563779435 /nfs/dbraw/zinc/77/94/35/563779435.db2.gz GQBHWMUMQAGRLL-CYBMUJFWSA-N 1 0 382.302 2.510 20 0 GFADRO Cc1c(I)cccc1C(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000292253160 563779964 /nfs/dbraw/zinc/77/99/64/563779964.db2.gz OZZCJPDUDUFRNK-INIZCTEOSA-N 1 0 384.261 2.767 20 0 GFADRO Cc1ccc(I)cc1NC(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000415507800 563780205 /nfs/dbraw/zinc/78/02/05/563780205.db2.gz OHGVNVMJTNWRBQ-VXGBXAGGSA-N 1 0 385.249 2.673 20 0 GFADRO Cc1ccc(I)cc1NC(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000415507797 563780263 /nfs/dbraw/zinc/78/02/63/563780263.db2.gz OHGVNVMJTNWRBQ-NWDGAFQWSA-N 1 0 385.249 2.673 20 0 GFADRO [NH3+]C[C@H]1CC[C@H](NC(=O)Nc2ccnn2Cc2cccc(Br)c2)C1 ZINC000415518423 563780699 /nfs/dbraw/zinc/78/06/99/563780699.db2.gz AGXKGOAWJMFOEX-WFASDCNBSA-N 1 0 392.301 2.943 20 0 GFADRO C[NH2+]C[C@H]1CCCN1C(=O)Nc1nnc(-c2cccc(Br)c2)s1 ZINC000415508970 563780819 /nfs/dbraw/zinc/78/08/19/563780819.db2.gz ZAHYKQHQIPDMRK-GFCCVEGCSA-N 1 0 396.314 3.183 20 0 GFADRO CCC[NH2+]CCNC(=O)C(=O)Nc1ccc(Br)c(Cl)c1Cl ZINC000415517022 563780837 /nfs/dbraw/zinc/78/08/37/563780837.db2.gz IFXNYPHUQRBULY-UHFFFAOYSA-N 1 0 397.100 2.810 20 0 GFADRO O=C(NC[C@H]1CCC[NH2+]C1)Nc1nnc(-c2cccc(Br)c2)s1 ZINC000415508968 563780896 /nfs/dbraw/zinc/78/08/96/563780896.db2.gz ZAGYKCBOSQOLPD-JTQLQIEISA-N 1 0 396.314 3.089 20 0 GFADRO C[C@](C[NH3+])(NC(=O)Nc1ccnn1Cc1ccccc1Br)C1CC1 ZINC000415522166 563781538 /nfs/dbraw/zinc/78/15/38/563781538.db2.gz LZSNTMABKPFRIX-QGZVFWFLSA-N 1 0 392.301 2.943 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)Nc2ccnn2Cc2ccccc2Br)CC[NH2+]1 ZINC000415525749 563781874 /nfs/dbraw/zinc/78/18/74/563781874.db2.gz XAKQMLSZHPRAEZ-TZMCWYRMSA-N 1 0 392.301 2.956 20 0 GFADRO COc1ccc(Br)c(S(=O)(=O)N2CCC[C@H]([NH+](C)C)CC2)c1 ZINC000365404195 563782417 /nfs/dbraw/zinc/78/24/17/563782417.db2.gz HBEUVLSTJQCWNL-LBPRGKRZSA-N 1 0 391.331 2.563 20 0 GFADRO C[C@@H]1CN(C(=O)Nc2ccnn2Cc2ccc(Br)cc2)CC[C@@H]1[NH3+] ZINC000415527495 563782572 /nfs/dbraw/zinc/78/25/72/563782572.db2.gz KVEIPCHUXUZXDQ-DOMZBBRYSA-N 1 0 392.301 2.895 20 0 GFADRO C[NH2+][C@@H]1CCCN(C(=O)Nc2ccnn2Cc2ccccc2Br)C1 ZINC000415526425 563782730 /nfs/dbraw/zinc/78/27/30/563782730.db2.gz ZMLUYBGPLWCGLZ-CQSZACIVSA-N 1 0 392.301 2.910 20 0 GFADRO COc1ccc(C[NH2+]Cc2cnc(-c3cnn(C)c3)nc2)cc1Br ZINC000365431898 563782813 /nfs/dbraw/zinc/78/28/13/563782813.db2.gz RNDDLFNNKFUTKI-UHFFFAOYSA-N 1 0 388.269 2.938 20 0 GFADRO Cc1cc(NC(=O)C(=O)NCC2(C)CC[NH2+]CC2)cc(C)c1Br ZINC000415572282 563785159 /nfs/dbraw/zinc/78/51/59/563785159.db2.gz OFMJNIFSDZJOOX-UHFFFAOYSA-N 1 0 382.302 2.510 20 0 GFADRO Cc1cc(Br)cc(Cl)c1NC(=O)C(=O)N1C[C@H](C)[NH2+]C[C@@H]1C ZINC000415571200 563785237 /nfs/dbraw/zinc/78/52/37/563785237.db2.gz RFDLMZWJITVSCX-UWVGGRQHSA-N 1 0 388.693 2.558 20 0 GFADRO O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000415594449 563786488 /nfs/dbraw/zinc/78/64/88/563786488.db2.gz KROHREIMXPMPRR-OAHLLOKOSA-N 1 0 375.778 2.509 20 0 GFADRO COc1ccc(NC(=O)N2C[C@H](C[NH3+])C[C@H]2C)c(I)c1 ZINC000415602553 563787079 /nfs/dbraw/zinc/78/70/79/563787079.db2.gz YDVOTEVQXITCFT-ZJUUUORDSA-N 1 0 389.237 2.501 20 0 GFADRO COC(=O)c1c(C)c(NC(=O)N2CC[C@@H]([NH3+])[C@@H](C)C2)ccc1Br ZINC000415604877 563787572 /nfs/dbraw/zinc/78/75/72/563787572.db2.gz WQNIJBXYUIUJTM-JOYOIKCWSA-N 1 0 384.274 2.745 20 0 GFADRO CN1CC[NH+](C[C@H]2CCCN(C(=O)[C@H]3SCCc4sccc43)C2)CC1 ZINC000365592052 563788096 /nfs/dbraw/zinc/78/80/96/563788096.db2.gz HJANETBCPSTLST-QAPCUYQASA-N 1 0 379.595 2.565 20 0 GFADRO COC(=O)c1cc(NC(=O)N2C[C@@H](C)[NH2+]C[C@@H]2C)cc(Br)c1F ZINC000415613633 563788278 /nfs/dbraw/zinc/78/82/78/563788278.db2.gz NOWZMYSPRKDIJH-BDAKNGLRSA-N 1 0 388.237 2.589 20 0 GFADRO COC(=O)c1cc(F)c(Br)cc1NC(=O)N[C@@H](C)CCC[NH3+] ZINC000415630792 563788808 /nfs/dbraw/zinc/78/88/08/563788808.db2.gz HODZNYSVJNIQAE-QMMMGPOBSA-N 1 0 376.226 2.624 20 0 GFADRO COC(=O)c1cc(F)c(Br)cc1NC(=O)N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000415631633 563788957 /nfs/dbraw/zinc/78/89/57/563788957.db2.gz MNXDVOWCFMRNCE-DTWKUNHWSA-N 1 0 388.237 2.637 20 0 GFADRO COc1cc(C[NH2+]C[C@H]2CC[C@@H](CO)O2)cc(Br)c1OC(F)F ZINC000292502392 563789326 /nfs/dbraw/zinc/78/93/26/563789326.db2.gz CMICQGGEOLFOBL-MNOVXSKESA-N 1 0 396.228 2.689 20 0 GFADRO CC(C)Oc1ccc(Br)cc1NC(=O)C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000415637885 563789393 /nfs/dbraw/zinc/78/93/93/563789393.db2.gz AUXXUZSPPAQTGZ-STQMWFEESA-N 1 0 398.301 2.561 20 0 GFADRO CCC[NH2+]CCNC(=O)Nc1ccc(-c2ccc(Br)s2)nn1 ZINC000415635752 563789409 /nfs/dbraw/zinc/78/94/09/563789409.db2.gz DGOYDWNJKKWIOQ-UHFFFAOYSA-N 1 0 384.303 3.089 20 0 GFADRO CSC[C@H]1CCC[N@H+](CC(=O)N(C)CC(=O)Nc2ccccc2Cl)C1 ZINC000292543546 563789921 /nfs/dbraw/zinc/78/99/21/563789921.db2.gz YAEVQWWIKLBANV-AWEZNQCLSA-N 1 0 383.945 2.812 20 0 GFADRO CC(C)[C@H]([NH3+])CNC(=O)Nc1cc(Br)cc(C(=O)N2CCCC2)c1 ZINC000415644447 563790124 /nfs/dbraw/zinc/79/01/24/563790124.db2.gz ZMWVCFCHOFZGKS-OAHLLOKOSA-N 1 0 397.317 2.790 20 0 GFADRO [NH3+][C@@H]1CCC[C@H](NC(=O)C(=O)Nc2ccc(-c3ccc(Cl)s3)nc2)C1 ZINC000415642691 563790186 /nfs/dbraw/zinc/79/01/86/563790186.db2.gz IEEZTONFKPPITH-MNOVXSKESA-N 1 0 378.885 2.788 20 0 GFADRO [NH3+][C@H]1CCC[C@H](NC(=O)C(=O)Nc2cc(F)c(Br)c(Cl)c2)C1 ZINC000415645303 563790214 /nfs/dbraw/zinc/79/02/14/563790214.db2.gz LLIJWAFQALBSIX-YUMQZZPRSA-N 1 0 392.656 2.566 20 0 GFADRO Cc1cc(NC(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)c(Cl)cc1F ZINC000415692224 563791465 /nfs/dbraw/zinc/79/14/65/563791465.db2.gz LWUQYNLLKBKJNU-CYBMUJFWSA-N 1 0 382.789 2.745 20 0 GFADRO [NH3+]CC[C@@H]1CCCN(C(=O)Nc2ccc3nccnc3c2Br)C1 ZINC000415705055 563791886 /nfs/dbraw/zinc/79/18/86/563791886.db2.gz KVOVXKMZAWJULL-NSHDSACASA-N 1 0 378.274 2.985 20 0 GFADRO COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000415724804 563793222 /nfs/dbraw/zinc/79/32/22/563793222.db2.gz NCCVDUWZFJDNER-KRWDZBQOSA-N 1 0 386.279 2.543 20 0 GFADRO COC[C@@]1(CNC(=O)Nc2cccc(Cl)c2OCC(F)F)CCC[NH2+]1 ZINC000415738160 563793868 /nfs/dbraw/zinc/79/38/68/563793868.db2.gz GUZOMBCQGGETJN-INIZCTEOSA-N 1 0 377.819 2.874 20 0 GFADRO [NH3+]C[C@H]1CC[C@H](CNC(=O)C(=O)Nc2nc(-c3cccs3)cs2)CC1 ZINC000415732274 563794057 /nfs/dbraw/zinc/79/40/57/563794057.db2.gz YBFLKCDAZQIEHP-HAQNSBGRSA-N 1 0 378.523 2.691 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)C(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000415755324 563794522 /nfs/dbraw/zinc/79/45/22/563794522.db2.gz CLSXNEDKOVTXHS-AWEZNQCLSA-N 1 0 394.313 2.544 20 0 GFADRO CC[C@H](C)[N@H+](C)CCNc1cnn(-c2ccccn2)c(=O)c1Br ZINC000292728061 563794687 /nfs/dbraw/zinc/79/46/87/563794687.db2.gz IPKZUAAJVQBSFO-LBPRGKRZSA-N 1 0 380.290 2.532 20 0 GFADRO [NH3+]C[C@@H](NC(=O)Nc1cc(Cl)ccc1I)C1CC1 ZINC000415756105 563794678 /nfs/dbraw/zinc/79/46/78/563794678.db2.gz KXXFJONVOUHHMX-LLVKDONJSA-N 1 0 379.629 2.803 20 0 GFADRO CC1(C)C[NH2+]CC[C@H]1NC(=O)Nc1ccn(-c2ccc(Br)cc2)n1 ZINC000415762110 563795016 /nfs/dbraw/zinc/79/50/16/563795016.db2.gz VRPZSVMDHPYYDZ-CQSZACIVSA-N 1 0 392.301 3.144 20 0 GFADRO C[N@@H+]1CC[C@@]2(CCN(Cc3ccc(Br)cc3N3CCOCC3)C2)C1 ZINC000292773467 563795167 /nfs/dbraw/zinc/79/51/67/563795167.db2.gz KSVSWZPQOUCGTL-LJQANCHMSA-N 1 0 394.357 2.813 20 0 GFADRO Cc1cc(Br)cc(NC(=O)C(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)c1 ZINC000415759566 563795232 /nfs/dbraw/zinc/79/52/32/563795232.db2.gz JBFXNELOMGXEQS-AWEZNQCLSA-N 1 0 394.313 2.544 20 0 GFADRO Cc1ccc(NC(=O)C(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)cc1Br ZINC000415766422 563795744 /nfs/dbraw/zinc/79/57/44/563795744.db2.gz SJOWRKANMBUGAW-AWEZNQCLSA-N 1 0 394.313 2.544 20 0 GFADRO O=C(NCCC[C@H]1CCC[NH2+]1)C(=O)Nc1cccc(Cl)c1Br ZINC000415804376 563796890 /nfs/dbraw/zinc/79/68/90/563796890.db2.gz LTKHOMZQBPXJLS-SNVBAGLBSA-N 1 0 388.693 2.689 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)NCCC[C@@H]2CCC[NH2+]2)cc1Br ZINC000415809521 563797779 /nfs/dbraw/zinc/79/77/79/563797779.db2.gz VGKFSUNDLGIDEF-ZDUSSCGKSA-N 1 0 382.302 2.653 20 0 GFADRO [NH3+]C[C@@H](NC(=O)C(=O)Nc1ccc(Cl)cc1OC(F)F)C1CCCC1 ZINC000415825476 563798239 /nfs/dbraw/zinc/79/82/39/563798239.db2.gz ZZGUZGUHNCKZPD-GFCCVEGCSA-N 1 0 375.803 2.514 20 0 GFADRO CC1(C)CN(C(=O)C(=O)Nc2cccc(Cl)c2SCC(F)F)CC[NH2+]1 ZINC000415820251 563798458 /nfs/dbraw/zinc/79/84/58/563798458.db2.gz AYDCOHKRQAGRGO-UHFFFAOYSA-N 1 0 391.871 2.846 20 0 GFADRO CC(C)c1cc(Br)ccc1NC(=O)C(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000415827241 563799097 /nfs/dbraw/zinc/79/90/97/563799097.db2.gz CQBKKUIIPSDFFR-YPMHNXCESA-N 1 0 382.302 2.755 20 0 GFADRO Cc1cc(Br)cc(NC(=O)C(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000415851692 563799460 /nfs/dbraw/zinc/79/94/60/563799460.db2.gz IJLZWYKRBDCMAX-UONOGXRCSA-N 1 0 394.313 2.544 20 0 GFADRO Cc1nc2cc(Cl)c(NC(=O)C(=O)N3CC[C@@H](C)[C@@H](C[NH3+])C3)cc2s1 ZINC000415852898 563799462 /nfs/dbraw/zinc/79/94/62/563799462.db2.gz SEUKQZOZEQVIHZ-KOLCDFICSA-N 1 0 380.901 2.640 20 0 GFADRO [NH3+][C@@H]1CN(C(=O)C(=O)Nc2ccsc2Cl)CC[C@H]1c1ccc(F)cc1 ZINC000415866017 563799666 /nfs/dbraw/zinc/79/96/66/563799666.db2.gz YNFXCPSKZRCPAJ-QWHCGFSZSA-N 1 0 381.860 2.823 20 0 GFADRO Cc1cc(NC(=O)C(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)ccc1Br ZINC000415855558 563799682 /nfs/dbraw/zinc/79/96/82/563799682.db2.gz OVWCYEWATKRGAW-ZIAGYGMSSA-N 1 0 394.313 2.544 20 0 GFADRO [NH3+]Cc1cc(NC(=O)N(CCO)C2CCSCC2)cc(C(F)(F)F)c1 ZINC000415966609 563801029 /nfs/dbraw/zinc/80/10/29/563801029.db2.gz GVULZNQAFVJQTE-UHFFFAOYSA-N 1 0 377.432 2.886 20 0 GFADRO [NH3+]CC[C@@H](NC(=O)NCCc1cc(Br)ccc1F)C(F)(F)F ZINC000415989608 563801320 /nfs/dbraw/zinc/80/13/20/563801320.db2.gz AYLQWZVIQGXPIC-LLVKDONJSA-N 1 0 386.187 2.710 20 0 GFADRO COC(=O)C[C@H](NC(=O)N[C@@H](CC[NH3+])C(F)(F)F)c1ccc(Cl)cc1 ZINC000416002146 563801583 /nfs/dbraw/zinc/80/15/83/563801583.db2.gz DEMNEGPJUZSFHW-RYUDHWBXSA-N 1 0 381.782 2.523 20 0 GFADRO [NH3+]CC[C@@H](NC(=O)N1CCOc2ccc(Br)cc2C1)C(F)(F)F ZINC000416037303 563803857 /nfs/dbraw/zinc/80/38/57/563803857.db2.gz BCXURTBMWKCJMG-GFCCVEGCSA-N 1 0 396.207 2.633 20 0 GFADRO COc1ccc(Br)c(CNC(=O)N(C)[C@H]2CC[N@H+](C)C[C@@H]2C)c1 ZINC000443624398 563808625 /nfs/dbraw/zinc/80/86/25/563808625.db2.gz DWXUSIAAFRQEQL-LRDDRELGSA-N 1 0 384.318 2.939 20 0 GFADRO O=C(Cc1cc(F)ccc1Br)N1CC[C@@H](OCC[NH+]2CCCC2)C1 ZINC000443808902 563813362 /nfs/dbraw/zinc/81/33/62/563813362.db2.gz JPAJEYLTARWTHB-MRXNPFEDSA-N 1 0 399.304 2.844 20 0 GFADRO CCc1nc(C(=O)NCC2([NH+](C)C)CC2)nn1-c1c(Cl)cccc1Cl ZINC000416299459 563814477 /nfs/dbraw/zinc/81/44/77/563814477.db2.gz GDBHLARUYZAOHU-UHFFFAOYSA-N 1 0 382.295 2.961 20 0 GFADRO C[C@H](CC(=O)N1C[C@@H](C)[N@H+](CCO)C[C@@H]1C)c1ccc(Br)cc1 ZINC000416320040 563815867 /nfs/dbraw/zinc/81/58/67/563815867.db2.gz ZCULJFFHVANOFG-KFWWJZLASA-N 1 0 383.330 2.856 20 0 GFADRO Cc1cn2c(n1)CC[C@H](NS(=O)(=O)c1c(Cl)cc(F)cc1Cl)C2 ZINC000366626828 563815913 /nfs/dbraw/zinc/81/59/13/563815913.db2.gz WBEWRCZHFTZIHA-JTQLQIEISA-N 1 0 378.256 2.931 20 0 GFADRO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)[C@H](C)Oc1ccc(F)cc1Br ZINC000366936164 563825179 /nfs/dbraw/zinc/82/51/79/563825179.db2.gz VWJQGYXOIZZZNR-DLOVCJGASA-N 1 0 377.229 2.514 20 0 GFADRO O=S(=O)(/C=C/c1ccc(Br)cc1)N1CCC2(C1)CC[NH2+]CC2 ZINC000366940817 563825194 /nfs/dbraw/zinc/82/51/94/563825194.db2.gz LRUCVXDTWDVYHF-LFYBBSHMSA-N 1 0 385.327 2.825 20 0 GFADRO O=C(NCC[C@H]1CCC[NH2+]1)c1ccc(I)cc1Cl ZINC000444257963 563825881 /nfs/dbraw/zinc/82/58/81/563825881.db2.gz GFRQJFRWEMXKPW-SNVBAGLBSA-N 1 0 378.641 2.817 20 0 GFADRO OC[C@@H]1CCC[N@H+](Cc2ccc(Br)cc2N2CCOCC2)CC1 ZINC000293851138 563826268 /nfs/dbraw/zinc/82/62/68/563826268.db2.gz BMZHJSKZFVVWKC-OAHLLOKOSA-N 1 0 383.330 2.880 20 0 GFADRO CN(C(=O)c1cnc2ccc(Br)cc2c1O)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000444269392 563826339 /nfs/dbraw/zinc/82/63/39/563826339.db2.gz PRRHPTCJGGZOLC-CYBMUJFWSA-N 1 0 390.281 2.599 20 0 GFADRO COc1ccc(Br)c(S(=O)(=O)N2C[C@H]([NH3+])Cc3ccccc32)c1 ZINC000416426368 563827354 /nfs/dbraw/zinc/82/73/54/563827354.db2.gz LZCOQLOFLFEIPZ-GFCCVEGCSA-N 1 0 397.294 2.536 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+][C@H]1CCS(=O)(=O)[C@H]1C ZINC000293995075 563828909 /nfs/dbraw/zinc/82/89/09/563828909.db2.gz SJNVXPVSOKTQKI-LRDDRELGSA-N 1 0 398.326 2.608 20 0 GFADRO CC[C@@H](NC(=O)c1cnc2ccc(Br)cc2c1O)c1ncc[nH]1 ZINC000444366696 563829985 /nfs/dbraw/zinc/82/99/85/563829985.db2.gz GIJZRMDUPRVLSA-GFCCVEGCSA-N 1 0 375.226 2.895 20 0 GFADRO CN(CCCNC(=O)[C@](C)([NH3+])c1ccc(Br)cc1)CC(F)(F)F ZINC000294199971 563833768 /nfs/dbraw/zinc/83/37/68/563833768.db2.gz VNENTWVQNUOOMN-CQSZACIVSA-N 1 0 396.251 2.623 20 0 GFADRO CCC[C@@]1(CO)CCC[N@@H+]1C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000444786566 563836607 /nfs/dbraw/zinc/83/66/07/563836607.db2.gz ULJSHWWUERNISE-WBVHZDCISA-N 1 0 390.293 2.955 20 0 GFADRO CCCN(CC[NH+]1CCCC1)S(=O)(=O)c1cccc(Cl)c1C(=O)OC ZINC000416486776 563837176 /nfs/dbraw/zinc/83/71/76/563837176.db2.gz JPEDDIWYXHASPW-UHFFFAOYSA-N 1 0 388.917 2.623 20 0 GFADRO CS(=O)(=O)c1cc(C(=O)NC2CC[NH+](CC3CCCCC3)CC2)cs1 ZINC000367253696 563837834 /nfs/dbraw/zinc/83/78/34/563837834.db2.gz DVIJGIKVURYZOW-UHFFFAOYSA-N 1 0 384.567 2.926 20 0 GFADRO C[N@H+](CCCCNS(=O)(=O)c1cc(Br)c(F)cc1F)C1CC1 ZINC000416500392 563839143 /nfs/dbraw/zinc/83/91/43/563839143.db2.gz GVYFGZRZETWAPH-UHFFFAOYSA-N 1 0 397.285 2.880 20 0 GFADRO O=S(=O)(NCC1CC[NH+](C2CC2)CC1)c1ccc(CC(F)(F)F)cc1 ZINC000445066735 563842485 /nfs/dbraw/zinc/84/24/85/563842485.db2.gz QDPYMMUHMBHUJW-UHFFFAOYSA-N 1 0 376.444 2.944 20 0 GFADRO O=S(=O)(NCC1CC[NH+](C2CC2)CC1)c1cc(Br)ccc1F ZINC000445076226 563843140 /nfs/dbraw/zinc/84/31/40/563843140.db2.gz ZIUKTERDBCEUNY-UHFFFAOYSA-N 1 0 391.306 2.741 20 0 GFADRO C[C@@H]1CN(C(=O)c2cc(F)cc(Br)c2)CCN1C1CC[NH+](C)CC1 ZINC000367444883 563844719 /nfs/dbraw/zinc/84/47/19/563844719.db2.gz LKCLDTLWXMPGPY-CYBMUJFWSA-N 1 0 398.320 2.829 20 0 GFADRO CCOc1cc(CN2CCOC[C@H](O)C2)cc(Br)c1OC(F)F ZINC000294660214 563849712 /nfs/dbraw/zinc/84/97/12/563849712.db2.gz ACOKHQOLFYLTOP-LLVKDONJSA-N 1 0 396.228 2.642 20 0 GFADRO O=C(c1cn2ccc(Br)cc2n1)N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000367613400 563850065 /nfs/dbraw/zinc/85/00/65/563850065.db2.gz CKWBCQWALMVOLY-NOLJZWGESA-N 1 0 389.297 2.653 20 0 GFADRO O=C(c1cn2ccc(Br)cc2n1)N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000367613398 563850171 /nfs/dbraw/zinc/85/01/71/563850171.db2.gz CKWBCQWALMVOLY-DUVNUKRYSA-N 1 0 389.297 2.653 20 0 GFADRO Cc1cc(Br)cc(S(=O)(=O)N(C)CC2([NH+](C)C)CCC2)c1 ZINC000445708421 563852787 /nfs/dbraw/zinc/85/27/87/563852787.db2.gz ZWUDLZOCPDAQKY-UHFFFAOYSA-N 1 0 375.332 2.862 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C[N@@H+]1CC[C@H](CC(N)=O)C1 ZINC000367710827 563852929 /nfs/dbraw/zinc/85/29/29/563852929.db2.gz WGBGCUGPFIOPTF-CYBMUJFWSA-N 1 0 377.286 2.641 20 0 GFADRO C[N@@H+]1CC[C@H]2[C@H](CCCN2Cc2ncc(I)s2)C1 ZINC000367710151 563852944 /nfs/dbraw/zinc/85/29/44/563852944.db2.gz YORNUUOUTDTHJN-MNOVXSKESA-N 1 0 377.295 2.664 20 0 GFADRO CC(C)[C@H](CC(F)(F)F)[NH2+]CCOc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000445886196 563855829 /nfs/dbraw/zinc/85/58/29/563855829.db2.gz NVRWVWLBIXPOOM-HNNXBMFYSA-N 1 0 382.448 2.882 20 0 GFADRO CCS(=O)(=O)NCCC[N@H+](C)[C@H]1CCOc2ccc(Br)cc21 ZINC000445885086 563855880 /nfs/dbraw/zinc/85/58/80/563855880.db2.gz MHLNHTVKFVMXDF-AWEZNQCLSA-N 1 0 391.331 2.534 20 0 GFADRO Fc1cc(Br)cc(OCC[NH+]2CCC(Cn3cncn3)CC2)c1 ZINC000446001321 563856837 /nfs/dbraw/zinc/85/68/37/563856837.db2.gz JQSOGBVEHNXCLW-UHFFFAOYSA-N 1 0 383.265 2.971 20 0 GFADRO O=C(NCc1ccc(Cl)cc1Cl)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000416798474 563861129 /nfs/dbraw/zinc/86/11/29/563861129.db2.gz PXAVKEAEJQFVKF-CYBMUJFWSA-N 1 0 399.244 2.629 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000416825180 563862029 /nfs/dbraw/zinc/86/20/29/563862029.db2.gz IZIAIVSCLSZGCY-IUODEOHRSA-N 1 0 397.317 2.513 20 0 GFADRO CCSCC[C@H](C)[NH2+]C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 ZINC000368015659 563862111 /nfs/dbraw/zinc/86/21/11/563862111.db2.gz ATYGJDHWQWSREO-HNNXBMFYSA-N 1 0 386.583 2.970 20 0 GFADRO CN1CC[NH+](C[C@@H]2CCCN(Cc3cc(O)ccc3Br)C2)CC1 ZINC000368050082 563862624 /nfs/dbraw/zinc/86/26/24/563862624.db2.gz CIJWOBOUIDTITE-HNNXBMFYSA-N 1 0 382.346 2.614 20 0 GFADRO CSc1ccc([C@@H](C)N2CCC([NH2+][C@@H]3CCS(=O)(=O)C3)CC2)cc1F ZINC000368046159 563862782 /nfs/dbraw/zinc/86/27/82/563862782.db2.gz YYQWOJIMWPIXTQ-CZUORRHYSA-N 1 0 386.558 2.850 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H](NC(=O)[C@H]2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)C1 ZINC000446398594 563863424 /nfs/dbraw/zinc/86/34/24/563863424.db2.gz ZSUWKKXFIXZGQX-BZUAXINKSA-N 1 0 384.307 2.984 20 0 GFADRO O=S(=O)(c1ccccc1OC(F)(F)F)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000368109499 563863932 /nfs/dbraw/zinc/86/39/32/563863932.db2.gz ONTLWDNSHWMZFF-CYBMUJFWSA-N 1 0 378.416 2.595 20 0 GFADRO CC(C)[C@H](NC(=O)c1ccccc1Br)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000446403603 563864122 /nfs/dbraw/zinc/86/41/22/563864122.db2.gz XQQUASFTQMFDQQ-ZENOOKHLSA-N 1 0 396.329 2.590 20 0 GFADRO CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000446488089 563864428 /nfs/dbraw/zinc/86/44/28/563864428.db2.gz IVSAHYHHJHYLIL-CVEARBPZSA-N 1 0 394.313 2.545 20 0 GFADRO CC(C)[C@H](O)C(=O)N(Cc1ccccc1Br)C1CC[NH+](C)CC1 ZINC000368186499 563866345 /nfs/dbraw/zinc/86/63/45/563866345.db2.gz SLTKNOOMMXGUAY-KRWDZBQOSA-N 1 0 383.330 2.889 20 0 GFADRO CC[C@H](Cc1ccccc1Br)NC(=O)NCC[N@@H+]1CCCOCC1 ZINC000446682217 563867694 /nfs/dbraw/zinc/86/76/94/563867694.db2.gz NAFVCHXJMZYHSQ-MRXNPFEDSA-N 1 0 398.345 2.792 20 0 GFADRO O=S(=O)(c1cc(Br)c(F)cc1F)N1CCC[C@@H]1c1ncc[nH]1 ZINC000368292776 563867847 /nfs/dbraw/zinc/86/78/47/563867847.db2.gz FNSYPZFOYWTIOE-LLVKDONJSA-N 1 0 392.225 2.976 20 0 GFADRO C[C@H](Cc1ccc(Br)cc1)NC(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000417110626 563868290 /nfs/dbraw/zinc/86/82/90/563868290.db2.gz YZZAEOOGNIGQDG-MFKMUULPSA-N 1 0 376.245 2.677 20 0 GFADRO C[C@H](CCC[NH3+])NC(=O)N[C@@H](C)c1cc2c(cc1Br)OCCO2 ZINC000417172807 563869986 /nfs/dbraw/zinc/86/99/86/563869986.db2.gz GIAALIKUTMSIAA-MNOVXSKESA-N 1 0 386.290 2.708 20 0 GFADRO C[C@@H]([NH3+])[C@H](C)NC(=O)NCC1(c2cccc(Br)c2)CCOCC1 ZINC000417173179 563870024 /nfs/dbraw/zinc/87/00/24/563870024.db2.gz HBIYNWGSBNITKA-OLZOCXBDSA-N 1 0 384.318 2.532 20 0 GFADRO CC(C)[C@H]([NH3+])CNC(=O)NCC1(c2cccc(Br)c2)CCOCC1 ZINC000417183445 563871340 /nfs/dbraw/zinc/87/13/40/563871340.db2.gz RQUFXGIYPRQPTR-MRXNPFEDSA-N 1 0 398.345 2.780 20 0 GFADRO C[C@H](NC(=O)N[C@H]1CCC[C@H]([NH3+])C1)c1cc2c(cc1Br)OCCO2 ZINC000417189265 563871780 /nfs/dbraw/zinc/87/17/80/563871780.db2.gz YLAUNNZMWCXHNP-SRVKXCTJSA-N 1 0 398.301 2.850 20 0 GFADRO Brc1cc(C[NH2+][C@@H]2CCO[C@]3(CCOC3)C2)cc2c1OCCO2 ZINC000368464908 563871881 /nfs/dbraw/zinc/87/18/81/563871881.db2.gz DDBQBQNGSJEANV-CXAGYDPISA-N 1 0 384.270 2.648 20 0 GFADRO C[C@H](NC(=O)N[C@@H]1CCC[C@H]([NH3+])C1)c1cc2c(cc1Br)OCCO2 ZINC000417189264 563871927 /nfs/dbraw/zinc/87/19/27/563871927.db2.gz YLAUNNZMWCXHNP-SDDRHHMPSA-N 1 0 398.301 2.850 20 0 GFADRO COc1ccc(Br)c(CC(=O)N2CCN[C@@H](c3cccnc3)C2)c1 ZINC000368521795 563872835 /nfs/dbraw/zinc/87/28/35/563872835.db2.gz IQQVMICNPCJYCH-QGZVFWFLSA-N 1 0 390.281 2.568 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2S(=O)(=O)c1csc2ccccc21 ZINC000368512097 563872960 /nfs/dbraw/zinc/87/29/60/563872960.db2.gz PUBOYZMBGXUBOF-KBMXLJTQSA-N 1 0 380.535 2.774 20 0 GFADRO C[NH2+][C@H]1CCN(C(=O)NCc2cc(Br)ccc2Br)C1 ZINC000418031935 563896518 /nfs/dbraw/zinc/89/65/18/563896518.db2.gz BJFFCQFZCJTDCI-NSHDSACASA-N 1 0 391.107 2.715 20 0 GFADRO O=C(CCNC(=O)NCCC[C@H]1CCC[NH2+]1)Nc1ccc(Br)cc1 ZINC000417214026 563873655 /nfs/dbraw/zinc/87/36/55/563873655.db2.gz IOUDWBMCQIOPMD-CQSZACIVSA-N 1 0 397.317 2.609 20 0 GFADRO O=C(NCCCO[C@@H]1CCOC1)C1CC[NH+](Cc2ccc(Cl)s2)CC1 ZINC000368548899 563874267 /nfs/dbraw/zinc/87/42/67/563874267.db2.gz UDXDTNKHPLFATD-OAHLLOKOSA-N 1 0 386.945 2.925 20 0 GFADRO COC(=O)C1CCC([NH2+][C@@H]2CCN(c3cccc(Br)c3)C2=O)CC1 ZINC000447076719 563874396 /nfs/dbraw/zinc/87/43/96/563874396.db2.gz OEMZKFLBTRQJGI-LDZOIKDWSA-N 1 0 395.297 2.876 20 0 GFADRO CO[C@@H]1CCN(C(=O)N[C@@H](C)CCc2ccc(Br)cc2)[C@@H](C[NH3+])C1 ZINC000417237053 563874875 /nfs/dbraw/zinc/87/48/75/563874875.db2.gz VRCKNRQLYCHRKB-IAOVAPTHSA-N 1 0 398.345 2.918 20 0 GFADRO [NH3+]C1CCC(NC(=O)NC[C@@H]2CCN(c3cccc(Br)c3)C2)CC1 ZINC000417260077 563875235 /nfs/dbraw/zinc/87/52/35/563875235.db2.gz IIIXTYMGADFXRG-JEYLPNPQSA-N 1 0 395.345 2.845 20 0 GFADRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NC[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000417260932 563875679 /nfs/dbraw/zinc/87/56/79/563875679.db2.gz JYECHLROHLDLMH-KEYYUXOJSA-N 1 0 395.345 2.573 20 0 GFADRO Cc1sc(Br)cc1S(=O)(=O)NCC[N@H+]1CCC[C@@H](C)C1 ZINC000447197969 563876821 /nfs/dbraw/zinc/87/68/21/563876821.db2.gz DFSFZILADGYBGF-SNVBAGLBSA-N 1 0 381.361 2.829 20 0 GFADRO O=C(CCc1nc(-c2cc(Br)cs2)no1)N[C@@H]1CCC[NH2+]CC1 ZINC000368702464 563877163 /nfs/dbraw/zinc/87/71/63/563877163.db2.gz AQWUUCJICLQXSP-LLVKDONJSA-N 1 0 399.314 2.752 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)NCCc3cc(Br)ccc3F)C[C@H]21 ZINC000417293466 563877671 /nfs/dbraw/zinc/87/76/71/563877671.db2.gz FOWVLWIGUBQSLD-XNRPHZJLSA-N 1 0 384.293 2.900 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)NCc1cc(Br)c2c(c1)OCCO2 ZINC000417295532 563877715 /nfs/dbraw/zinc/87/77/15/563877715.db2.gz FACCMLPWSHKDKX-RISCZKNCSA-N 1 0 398.301 2.632 20 0 GFADRO CCCC[C@@H](C[NH3+])NC(=O)NCc1cc(Br)c2c(c1)OCCO2 ZINC000417301798 563877806 /nfs/dbraw/zinc/87/78/06/563877806.db2.gz PYVSGVSSTFBTJW-LBPRGKRZSA-N 1 0 386.290 2.537 20 0 GFADRO COc1cc(C)c(Br)cc1S(=O)(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000447250165 563877799 /nfs/dbraw/zinc/87/77/99/563877799.db2.gz PXYSTYXJOHQDSF-CYBMUJFWSA-N 1 0 391.331 2.562 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H]2CN(S(=O)(=O)c3cc(Br)sc3Cl)C[C@H]21 ZINC000447247600 563877855 /nfs/dbraw/zinc/87/78/55/563877855.db2.gz JEVQXHHZTPIYBF-IWSPIJDZSA-N 1 0 399.763 2.912 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H]2CN(S(=O)(=O)c3ccc(Br)c(Cl)c3)C[C@@H]21 ZINC000447243104 563877968 /nfs/dbraw/zinc/87/79/68/563877968.db2.gz ANZVOHQVVDNKQH-OLUVUFQESA-N 1 0 393.734 2.850 20 0 GFADRO C[C@H]1C[C@@H](C[NH3+])CN1S(=O)(=O)c1c(Cl)cc(F)cc1Br ZINC000447256097 563878544 /nfs/dbraw/zinc/87/85/44/563878544.db2.gz JPYJXGWMKSCHKF-YUMQZZPRSA-N 1 0 385.686 2.599 20 0 GFADRO O=C(NCc1cc(Br)ccc1OC(F)F)N1CCC[NH2+]CC1 ZINC000417402460 563879112 /nfs/dbraw/zinc/87/91/12/563879112.db2.gz FCVBQJLQANBOKK-UHFFFAOYSA-N 1 0 378.217 2.555 20 0 GFADRO CC[C@H]([NH2+][C@H]1CCN(CC(F)F)C1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000417394193 563879160 /nfs/dbraw/zinc/87/91/60/563879160.db2.gz VIQSUIBECHDHFE-JSGCOSHPSA-N 1 0 395.903 2.628 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)NCc2cc(Br)ccc2OC(F)F)C1 ZINC000417407726 563879171 /nfs/dbraw/zinc/87/91/71/563879171.db2.gz NQQNQLOACCHURC-VHSXEESVSA-N 1 0 392.244 2.929 20 0 GFADRO CN(C(=O)NCc1cc(Br)ccc1OC(F)F)C1CC([NH3+])C1 ZINC000417401161 563879265 /nfs/dbraw/zinc/87/92/65/563879265.db2.gz BROIBJBQPIPTLY-UHFFFAOYSA-N 1 0 378.217 2.682 20 0 GFADRO C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000368812737 563879323 /nfs/dbraw/zinc/87/93/23/563879323.db2.gz XAHKUEAYGUCPAI-OLZOCXBDSA-N 1 0 384.307 2.808 20 0 GFADRO C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000368812738 563879387 /nfs/dbraw/zinc/87/93/87/563879387.db2.gz XAHKUEAYGUCPAI-STQMWFEESA-N 1 0 384.307 2.808 20 0 GFADRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)NCc1cc(Br)ccc1OC(F)F ZINC000417412011 563879759 /nfs/dbraw/zinc/87/97/59/563879759.db2.gz ULVDFOKWJNLBDJ-ZJUUUORDSA-N 1 0 392.244 2.929 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2C(=O)Cc1ccc(F)cc1Br ZINC000368886328 563881263 /nfs/dbraw/zinc/88/12/63/563881263.db2.gz BJNUWJPANZCHLN-HYVNUMGLSA-N 1 0 399.304 2.841 20 0 GFADRO C[NH+]1CCC(C(=O)N[C@H]2CCCN(c3ccc(Cl)cc3Cl)C2=O)CC1 ZINC000368950720 563883050 /nfs/dbraw/zinc/88/30/50/563883050.db2.gz NHOJMDKNRNWYIL-HNNXBMFYSA-N 1 0 384.307 2.947 20 0 GFADRO CN1CC[NH+](C[C@H]2CCCN(C(=O)c3cc(Br)ccc3F)C2)CC1 ZINC000368979789 563883664 /nfs/dbraw/zinc/88/36/64/563883664.db2.gz VFLJOGNQOPBHOS-CQSZACIVSA-N 1 0 398.320 2.688 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000369037887 563884666 /nfs/dbraw/zinc/88/46/66/563884666.db2.gz AEKZLKFGZLMBLA-JKSUJKDBSA-N 1 0 382.302 2.820 20 0 GFADRO C[C@@H]([NH3+])[C@H](C)NC(=O)NCCSCCOc1cccc(Br)c1 ZINC000417583765 563885161 /nfs/dbraw/zinc/88/51/61/563885161.db2.gz AESPFLZWOUXEPP-NEPJUHHUSA-N 1 0 390.347 2.596 20 0 GFADRO O=C(N[C@H]1CCN(c2ccccc2Br)C1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000417590808 563885556 /nfs/dbraw/zinc/88/55/56/563885556.db2.gz CCEYFVMPMDEFCF-ZFWWWQNUSA-N 1 0 393.329 2.564 20 0 GFADRO CO[C@H]1CCN(C(=O)NCC2(c3cccc(Br)c3)CC2)[C@H](C[NH3+])C1 ZINC000417662246 563886811 /nfs/dbraw/zinc/88/68/11/563886811.db2.gz RIUIZXOYHXHYQB-HOTGVXAUSA-N 1 0 396.329 2.628 20 0 GFADRO O=S(=O)(NC1CC[NH+](CC2CC2)CC1)c1ccc(C(F)(F)F)c(F)c1 ZINC000447821615 563887023 /nfs/dbraw/zinc/88/70/23/563887023.db2.gz LYMQBRYEPZFWIF-UHFFFAOYSA-N 1 0 380.407 2.997 20 0 GFADRO O=C(N[C@@H]1CCc2c1ccc(Cl)c2Cl)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000417712904 563887397 /nfs/dbraw/zinc/88/73/97/563887397.db2.gz XSXGXWFDBNKTMD-MLGOLLRUSA-N 1 0 383.323 2.670 20 0 GFADRO [NH3+]C[C@H]1CC[C@H](NC(=O)NCCOc2ncc(C(F)(F)F)cc2Cl)C1 ZINC000417732683 563887999 /nfs/dbraw/zinc/88/79/99/563887999.db2.gz HTSYRWWGMVIQJW-ONGXEEELSA-N 1 0 380.798 2.559 20 0 GFADRO C[C@@H]([NH3+])C1CCN(C(=O)NC[C@H](C)Oc2ccc(Br)cc2)CC1 ZINC000417782548 563889243 /nfs/dbraw/zinc/88/92/43/563889243.db2.gz YDOWHONEDUXGED-QWHCGFSZSA-N 1 0 384.318 2.985 20 0 GFADRO C[C@H](CNC(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1)Oc1cccc(Br)c1 ZINC000417784192 563889249 /nfs/dbraw/zinc/88/92/49/563889249.db2.gz BSFDWZMJLDDQDW-RDBSUJKOSA-N 1 0 384.318 2.904 20 0 GFADRO Cc1cc(N2CCC[C@H]([N@@H+]3C[C@@H](O)C(C)(C)C3)C2=O)ccc1Br ZINC000447874122 563889556 /nfs/dbraw/zinc/88/95/56/563889556.db2.gz VLGQFUXQKPZFNG-JKSUJKDBSA-N 1 0 381.314 2.956 20 0 GFADRO C[C@@H](CNC(=O)NC[C@@]1(C)CCC[NH2+]C1)Oc1ccccc1Br ZINC000417826046 563890367 /nfs/dbraw/zinc/89/03/67/563890367.db2.gz NTXMGZFUTCOKBG-GUYCJALGSA-N 1 0 384.318 2.905 20 0 GFADRO COCCOCCCC[NH2+]Cc1ccc(F)cc1I ZINC000417879133 563890369 /nfs/dbraw/zinc/89/03/69/563890369.db2.gz ASUWHSGIIKLFJY-UHFFFAOYSA-N 1 0 381.229 2.963 20 0 GFADRO Cc1nn(C)c(C[NH2+]CCCNC(=O)c2ccc(F)cc2)c1Br ZINC000447937201 563891248 /nfs/dbraw/zinc/89/12/48/563891248.db2.gz VWSPVNCWDURHHJ-UHFFFAOYSA-N 1 0 383.265 2.540 20 0 GFADRO Cc1nn(C)c(C[NH2+]CCc2cc(F)cc3c2OCOC3)c1Br ZINC000447939960 563891344 /nfs/dbraw/zinc/89/13/44/563891344.db2.gz HBGKCAIYGVEFFE-UHFFFAOYSA-N 1 0 384.249 2.829 20 0 GFADRO Cc1nn(C)c(C[NH2+]C2CCN(C(=O)CC(F)(F)F)CC2)c1Br ZINC000447938148 563891431 /nfs/dbraw/zinc/89/14/31/563891431.db2.gz DYHAOLLAMBTNET-UHFFFAOYSA-N 1 0 397.239 2.524 20 0 GFADRO O=C(NCCc1cc(Cl)ccc1Br)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000417920080 563891767 /nfs/dbraw/zinc/89/17/67/563891767.db2.gz ZQVOFVGYHAJBLZ-QWHCGFSZSA-N 1 0 386.721 2.896 20 0 GFADRO COc1cc(Br)ccc1CCCNC(=O)N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000417996222 563894031 /nfs/dbraw/zinc/89/40/31/563894031.db2.gz DQUSEZSBIDRKKM-DOMZBBRYSA-N 1 0 384.318 2.769 20 0 GFADRO C[NH2+][C@@H]1CCCN(C(=O)NCCc2c[nH]c3ccc(Br)cc23)C1 ZINC000417998657 563894382 /nfs/dbraw/zinc/89/43/82/563894382.db2.gz HISOGJHNYHEAAQ-CQSZACIVSA-N 1 0 379.302 2.866 20 0 GFADRO [NH3+]CCCNC(=O)NCCOc1c(Cl)cc(Br)cc1Cl ZINC000418011426 563894946 /nfs/dbraw/zinc/89/49/46/563894946.db2.gz UXJLQHRJUKNOTP-UHFFFAOYSA-N 1 0 385.089 2.783 20 0 GFADRO O=C(NCCC[NH2+]C1CC1)N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000418012262 563895013 /nfs/dbraw/zinc/89/50/13/563895013.db2.gz VUBDFTSIJQOKBY-HNNXBMFYSA-N 1 0 385.295 2.540 20 0 GFADRO [NH3+][C@@H]1CCC[C@H](NC(=O)N[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C1 ZINC000418006500 563895200 /nfs/dbraw/zinc/89/52/00/563895200.db2.gz PFNFXTSPMDWMBW-JRPNMDOOSA-N 1 0 385.295 2.668 20 0 GFADRO COc1cc(Br)ccc1CCCNC(=O)N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000418013801 563895408 /nfs/dbraw/zinc/89/54/08/563895408.db2.gz ZSFRHLWFFKWODA-SWLSCSKDSA-N 1 0 384.318 2.830 20 0 GFADRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)NCCc1c[nH]c2ccc(Br)cc12 ZINC000418013140 563895493 /nfs/dbraw/zinc/89/54/93/563895493.db2.gz YRCGRDLMCVNVJK-NEPJUHHUSA-N 1 0 379.302 2.852 20 0 GFADRO C[C@@H]1CCN(C(=O)NCc2cc(Br)cc3c2OCC3)C[C@H]1C[NH3+] ZINC000418012873 563895615 /nfs/dbraw/zinc/89/56/15/563895615.db2.gz MRDLXQJLLBZPRV-BXUZGUMPSA-N 1 0 382.302 2.510 20 0 GFADRO CCCOC[C@@H](Cc1cccc(Br)c1)NC(=O)N1CCC[NH2+]CC1 ZINC000418025441 563896114 /nfs/dbraw/zinc/89/61/14/563896114.db2.gz FSNKDNUQIAODHK-QGZVFWFLSA-N 1 0 398.345 2.792 20 0 GFADRO [NH3+]CC[C@H](NC(=O)NCc1cc2cc(Br)ccc2[nH]1)C(F)F ZINC000418034418 563896297 /nfs/dbraw/zinc/89/62/97/563896297.db2.gz OLTDUXBFVHXIRA-LBPRGKRZSA-N 1 0 375.217 2.712 20 0 GFADRO CCn1c(CNC(=O)N2CC[C@H]([C@H](C)[NH3+])C2)nc2cc(Br)ccc21 ZINC000418063825 563897404 /nfs/dbraw/zinc/89/74/04/563897404.db2.gz INUWPNQZZBKCSF-RYUDHWBXSA-N 1 0 394.317 2.697 20 0 GFADRO CCn1c(CNC(=O)N2C[C@@H](C)[NH2+]C[C@@H]2C)nc2cc(Br)ccc21 ZINC000418061697 563897504 /nfs/dbraw/zinc/89/75/04/563897504.db2.gz FHZTUOSFQVDUJI-NEPJUHHUSA-N 1 0 394.317 2.711 20 0 GFADRO COc1cc(Br)ccc1[C@H](C)NC(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000418074665 563897752 /nfs/dbraw/zinc/89/77/52/563897752.db2.gz YASKYBLTLVMUPO-ZANVPECISA-N 1 0 392.244 2.815 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)N[C@@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)CC[NH2+]1 ZINC000418080780 563897874 /nfs/dbraw/zinc/89/78/74/563897874.db2.gz MXZDYARMRHSCLE-SCDSUCTJSA-N 1 0 385.295 2.538 20 0 GFADRO C[C@@H](CCC[NH3+])NC(=O)NCc1cnn(-c2ccc(Br)cc2)c1 ZINC000418086823 563898128 /nfs/dbraw/zinc/89/81/28/563898128.db2.gz FBMSPMATTHGUIM-LBPRGKRZSA-N 1 0 380.290 2.561 20 0 GFADRO O=C(N[C@@H]1CSc2ccc(Br)cc21)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000418090030 563898551 /nfs/dbraw/zinc/89/85/51/563898551.db2.gz CCSCWGSHVYBVMQ-ZLKJLUDKSA-N 1 0 382.327 2.989 20 0 GFADRO [NH3+]CC[C@H](NC(=O)N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1)C(F)F ZINC000418108363 563899133 /nfs/dbraw/zinc/89/91/33/563899133.db2.gz GBLIZZGLYDDPEQ-KPXOXKRLSA-N 1 0 380.208 2.726 20 0 GFADRO Cc1cc(CNC(=O)N[C@H]2CCC[C@@H]([NH3+])C2)ccc1I ZINC000418138465 563899898 /nfs/dbraw/zinc/89/98/98/563899898.db2.gz GDIWXGHNDXUKNC-OLZOCXBDSA-N 1 0 387.265 2.669 20 0 GFADRO COc1cc(Br)c(C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1OC ZINC000448727020 563900471 /nfs/dbraw/zinc/90/04/71/563900471.db2.gz VZICYBUQPFBBEN-NWDGAFQWSA-N 1 0 383.286 2.823 20 0 GFADRO [NH3+]CC[C@@H]1CCCN(C(=O)NCc2cc(F)c(F)cc2Br)C1 ZINC000418182352 563900735 /nfs/dbraw/zinc/90/07/35/563900735.db2.gz NNNLKSXQESSXNX-JTQLQIEISA-N 1 0 376.245 2.998 20 0 GFADRO C[NH+](C)CCn1ccc(NC(=O)COc2c(Cl)cc(Cl)cc2Cl)n1 ZINC000448831614 563901959 /nfs/dbraw/zinc/90/19/59/563901959.db2.gz SYMMDPTYGUFQSG-UHFFFAOYSA-N 1 0 391.686 3.422 20 0 GFADRO CN(C[C@H]1CC[N@H+](C)C1)C(=O)c1ccccc1-n1cc(Br)cn1 ZINC000448911280 563903098 /nfs/dbraw/zinc/90/30/98/563903098.db2.gz PQDIMQSSGYSZRO-ZDUSSCGKSA-N 1 0 377.286 2.659 20 0 GFADRO CC[NH+]1CCN([C@H]2CCN(C(=O)Cc3cc(Br)ccc3C)C2)CC1 ZINC000448925044 563903323 /nfs/dbraw/zinc/90/33/23/563903323.db2.gz LKSNRBBFKHQBOI-SFHVURJKSA-N 1 0 394.357 2.538 20 0 GFADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)c1ccc2scc(Br)c2c1 ZINC000448952218 563903820 /nfs/dbraw/zinc/90/38/20/563903820.db2.gz DYZYNZYHNBDJAD-GFCCVEGCSA-N 1 0 382.327 2.639 20 0 GFADRO CC(C)(O)C[NH+]1CCN(Cc2ccnc3c(Br)cccc23)CC1 ZINC000449018424 563905550 /nfs/dbraw/zinc/90/55/50/563905550.db2.gz NEHPBPSTPKCYTG-UHFFFAOYSA-N 1 0 378.314 2.886 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CNCc1cc(Br)ccc1O[C@H](C)C(=O)NC ZINC000449058273 563906455 /nfs/dbraw/zinc/90/64/55/563906455.db2.gz HVCGMAOIOLFLIZ-CZUORRHYSA-N 1 0 398.345 2.536 20 0 GFADRO O=C1NC2(CCCC2)C(=O)N1CC[NH2+]Cc1cccc(F)c1Br ZINC000449255904 564177831 /nfs/dbraw/zinc/17/78/31/564177831.db2.gz HBRXFTGEUWEEEA-UHFFFAOYSA-N 1 0 384.249 2.542 20 0 GFADRO O=C([C@@H]1C[N@@H+]2CCN1CCC2)N1CCC(c2ccc(Br)cc2)CC1 ZINC000505173696 564177972 /nfs/dbraw/zinc/17/79/72/564177972.db2.gz TXRYQKVUXNEPRF-SFHVURJKSA-N 1 0 392.341 2.545 20 0 GFADRO CCN(CCC[NH+](C)C)C(=O)[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000470838493 564178346 /nfs/dbraw/zinc/17/83/46/564178346.db2.gz AYVOVIMKZCWQFR-INIZCTEOSA-N 1 0 396.329 2.602 20 0 GFADRO COC(=O)COC[C@H](C)[NH2+][C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O ZINC000449281308 564178427 /nfs/dbraw/zinc/17/84/27/564178427.db2.gz YZEPDDGUKJTQIJ-SMDDNHRTSA-N 1 0 389.279 2.657 20 0 GFADRO COc1cc(Br)ccc1[C@@H](C)NC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC000470832613 564178549 /nfs/dbraw/zinc/17/85/49/564178549.db2.gz SCQVQRCWQTZXRB-QWHCGFSZSA-N 1 0 385.302 2.603 20 0 GFADRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)CC(=O)Nc1ccc(Br)cc1 ZINC000537943313 564178624 /nfs/dbraw/zinc/17/86/24/564178624.db2.gz JQGRLNMALKCNPY-GLQYFDAESA-N 1 0 382.302 2.671 20 0 GFADRO COc1cc(Br)ccc1[C@H](C)NC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC000470832612 564178682 /nfs/dbraw/zinc/17/86/82/564178682.db2.gz SCQVQRCWQTZXRB-OLZOCXBDSA-N 1 0 385.302 2.603 20 0 GFADRO CCOCCOC[C@H](O)C[NH2+]C1CC(c2ccc(Br)cc2F)C1 ZINC000449283713 564179045 /nfs/dbraw/zinc/17/90/45/564179045.db2.gz MDZKCLHGFLEFDO-PESDSKBTSA-N 1 0 390.293 2.838 20 0 GFADRO CC(C)N1C[C@H]([NH2+][C@@H](C)CC(=O)Nc2ccc(Br)cc2)CC1=O ZINC000537980684 564179493 /nfs/dbraw/zinc/17/94/93/564179493.db2.gz IMVGLCUSRKORAK-SWLSCSKDSA-N 1 0 382.302 2.765 20 0 GFADRO COC(=O)Cn1cc(C[NH2+]CC2(c3c(Cl)cccc3Cl)CCC2)nn1 ZINC000449287845 564179608 /nfs/dbraw/zinc/17/96/08/564179608.db2.gz LTUAXTOJBHQZTJ-UHFFFAOYSA-N 1 0 383.279 2.969 20 0 GFADRO CO[C@@H](CCNC(=O)[C@@H]1C[N@@H+](C(C)(C)C)C[C@H]1C(F)(F)F)C(F)(F)F ZINC000505282680 564180341 /nfs/dbraw/zinc/18/03/41/564180341.db2.gz CRVPFPJCPJQNAD-MXWKQRLJSA-N 1 0 378.357 2.979 20 0 GFADRO O=C(C1CC[NH+]([C@@H]2CCSC2)CC1)N1CCC[C@@H](OCC(F)(F)F)C1 ZINC000563225163 564180532 /nfs/dbraw/zinc/18/05/32/564180532.db2.gz ZNDFKFNOURBJKS-HUUCEWRRSA-N 1 0 380.476 2.774 20 0 GFADRO O=S(=O)(C1CC1)N1CCC[C@@H]([NH2+]Cc2cccc(Br)c2F)C1 ZINC000449320765 564180682 /nfs/dbraw/zinc/18/06/82/564180682.db2.gz PHYXHFAHYWBFJL-GFCCVEGCSA-N 1 0 391.306 2.634 20 0 GFADRO O=S(=O)(C1CC1)N1CCC[C@@H]([NH2+]Cc2cc(F)cc(Br)c2)C1 ZINC000449321753 564180813 /nfs/dbraw/zinc/18/08/13/564180813.db2.gz UPQIAQNHXQIIAJ-CQSZACIVSA-N 1 0 391.306 2.634 20 0 GFADRO O=C(CNCc1cccc(Br)c1F)NCC[NH+]1CCCCCC1 ZINC000449340398 564182266 /nfs/dbraw/zinc/18/22/66/564182266.db2.gz OKRKPEIERUXZFR-UHFFFAOYSA-N 1 0 386.309 2.670 20 0 GFADRO CCOC(=O)[C@@H]1CC[C@H]([NH2+]CCn2cc(Br)ccc2=O)C[C@@H]1C ZINC000449381097 564182824 /nfs/dbraw/zinc/18/28/24/564182824.db2.gz XQPWKCALKVLATE-AEGPPILISA-N 1 0 385.302 2.568 20 0 GFADRO Cc1[nH]c(=O)c(Br)cc1C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000505415599 564182960 /nfs/dbraw/zinc/18/29/60/564182960.db2.gz PCSHYYIQQQTIHX-UHFFFAOYSA-N 1 0 378.270 2.850 20 0 GFADRO COc1ccc(C[C@@H](C)[NH2+]CCn2cc(Br)ccc2=O)cc1OC ZINC000449379332 564183014 /nfs/dbraw/zinc/18/30/14/564183014.db2.gz SUWULIRYQORUQX-CYBMUJFWSA-N 1 0 395.297 2.849 20 0 GFADRO OCCN1CCCC[C@@H]1C[NH2+]Cc1ccc(Br)c2cccnc12 ZINC000449395389 564184812 /nfs/dbraw/zinc/18/48/12/564184812.db2.gz PSLQLSIOUBYCPO-OAHLLOKOSA-N 1 0 378.314 2.934 20 0 GFADRO COCCOC1(C[NH2+]Cc2cccc(Br)c2OC)CCOCC1 ZINC000449392215 564184857 /nfs/dbraw/zinc/18/48/57/564184857.db2.gz HQKCLUDTAHOGIV-UHFFFAOYSA-N 1 0 388.302 2.760 20 0 GFADRO CN(CC[N@H+](C)Cc1cccc(Cl)c1F)c1ccc(S(N)(=O)=O)cc1 ZINC000449425484 564186029 /nfs/dbraw/zinc/18/60/29/564186029.db2.gz RXVCBVWYEZPIKB-UHFFFAOYSA-N 1 0 385.892 2.695 20 0 GFADRO CC[N@@H+]1CC[C@H]2OCCN(Cc3cc4c(cc3Br)OCCO4)[C@H]2C1 ZINC000563319432 564186132 /nfs/dbraw/zinc/18/61/32/564186132.db2.gz URZCJFGUBDWDDR-JKSUJKDBSA-N 1 0 397.313 2.515 20 0 GFADRO COc1cccc(S(=O)(=O)CC[NH2+][C@H](C)c2ccc([S@](C)=O)cc2)c1 ZINC000538262795 564186549 /nfs/dbraw/zinc/18/65/49/564186549.db2.gz ILFUBLSCTSTCRL-SHACYNPGSA-N 1 0 381.519 2.557 20 0 GFADRO O[C@@H]1C[C@@H]([C@@H]2CCCOC2)[N@H+](Cc2ccc(I)cc2)C1 ZINC000449434634 564186757 /nfs/dbraw/zinc/18/67/57/564186757.db2.gz RXMHHRACPXWWOC-BMFZPTHFSA-N 1 0 387.261 2.653 20 0 GFADRO C[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3COc4ccc(Br)cc43)C2)C1 ZINC000505661281 564187396 /nfs/dbraw/zinc/18/73/96/564187396.db2.gz UDGOIHZBOICXFQ-QAPCUYQASA-N 1 0 379.298 2.869 20 0 GFADRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)Cc3cccc(I)c3)C2)C1 ZINC000505656346 564187445 /nfs/dbraw/zinc/18/74/45/564187445.db2.gz FMTSCFPLJOTITO-QGZVFWFLSA-N 1 0 398.288 2.778 20 0 GFADRO OC[C@@H]([C@H]([NH2+]Cc1ncc(I)s1)C1CC1)C1CC1 ZINC000449508169 564188692 /nfs/dbraw/zinc/18/86/92/564188692.db2.gz MWUXQKKJMOLSMH-ZWNOBZJWSA-N 1 0 378.279 2.634 20 0 GFADRO CC(=O)N1CCC[N@H+](C[C@H]2CCCN(Cc3ccc(Br)o3)C2)CC1 ZINC000449510925 564189004 /nfs/dbraw/zinc/18/90/04/564189004.db2.gz XUGFGIUJHHDCJC-MRXNPFEDSA-N 1 0 398.345 2.808 20 0 GFADRO C[C@@H](C(=O)N1CCO[C@@H](c2ccc(F)c(Br)c2)C1)[NH+]1CC(C)C1 ZINC000563391291 564189363 /nfs/dbraw/zinc/18/93/63/564189363.db2.gz NRWZFGPINKJYCS-BLLLJJGKSA-N 1 0 385.277 2.828 20 0 GFADRO Cc1ccc(C[C@H](CO)C[NH2+][C@@H]2CN(C3CC3)C[C@H]2C)cc1Br ZINC000449599498 564191052 /nfs/dbraw/zinc/19/10/52/564191052.db2.gz LESUXYGAQZGQRE-SIXWZSSISA-N 1 0 381.358 2.981 20 0 GFADRO CCc1nocc1C[NH2+]C[C@@H](CO)Cc1ccc(OC)c(Br)c1 ZINC000449605343 564192035 /nfs/dbraw/zinc/19/20/35/564192035.db2.gz ZCDUWSBMPONUPI-ZDUSSCGKSA-N 1 0 383.286 2.949 20 0 GFADRO CC(C)[NH+](CCN(C)Cc1nnnn1-c1ccccc1Br)C(C)C ZINC000505875656 564192370 /nfs/dbraw/zinc/19/23/70/564192370.db2.gz ZBFLHJPREJJYDY-UHFFFAOYSA-N 1 0 395.349 2.975 20 0 GFADRO C[C@@]1(CNC(=O)Nc2cc(Br)cnc2-n2cccn2)CCC[NH2+]C1 ZINC000563490914 564193201 /nfs/dbraw/zinc/19/32/01/564193201.db2.gz YMCHBTZBPLQSKE-MRXNPFEDSA-N 1 0 393.289 2.541 20 0 GFADRO C[C@H](NC(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2)c1ccc(Br)cn1 ZINC000563502051 564194028 /nfs/dbraw/zinc/19/40/28/564194028.db2.gz CMHMCIQXVIBKPG-GXFFZTMASA-N 1 0 390.285 2.938 20 0 GFADRO CC(C)[C@H]([NH3+])CCN(C)C(=O)Cc1cc2c(cc1Br)OCCO2 ZINC000563535677 564196371 /nfs/dbraw/zinc/19/63/71/564196371.db2.gz OVIKTCQAVIGAFY-CQSZACIVSA-N 1 0 385.302 2.595 20 0 GFADRO CC1(C)C[NH2+]CC[C@@H]1NC(=O)[C@@H]1CCN(c2cc(Cl)ccc2Cl)C1=O ZINC000449697005 564196834 /nfs/dbraw/zinc/19/68/34/564196834.db2.gz JPDLYONQFFJSQJ-WFASDCNBSA-N 1 0 384.307 2.851 20 0 GFADRO CC1(C)C[NH2+]CC[C@H]1NC(=O)[C@@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1 ZINC000449700011 564197159 /nfs/dbraw/zinc/19/71/59/564197159.db2.gz RYLFJMXJDSZOPQ-IAQYHMDHSA-N 1 0 384.307 2.851 20 0 GFADRO CC1(C)C[NH2+]CC[C@@H]1NC(=O)c1cc(=O)[nH]c2ccc(Br)cc21 ZINC000449700555 564198054 /nfs/dbraw/zinc/19/80/54/564198054.db2.gz UITCJLHFKGIUTR-AWEZNQCLSA-N 1 0 378.270 2.821 20 0 GFADRO Cc1cc(C(=O)N[C@H]2CC[C@H](C[NH3+])C2)nn1-c1ccc(Br)cc1 ZINC000449717120 564198081 /nfs/dbraw/zinc/19/80/81/564198081.db2.gz DHQHSNZABZKQPD-JSGCOSHPSA-N 1 0 377.286 2.800 20 0 GFADRO C[C@H](CNC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1)Oc1ccc(Br)cc1 ZINC000563581573 564198367 /nfs/dbraw/zinc/19/83/67/564198367.db2.gz QWZRMMLXGKMMPE-IUODEOHRSA-N 1 0 382.302 2.752 20 0 GFADRO CN1CCC[C@H]([NH2+]CC2(c3cccc(Br)c3)CCOCC2)C1=O ZINC000538706536 564198600 /nfs/dbraw/zinc/19/86/00/564198600.db2.gz DHKUQPAVLWUXQS-INIZCTEOSA-N 1 0 381.314 2.708 20 0 GFADRO [NH3+]C[C@H]1CC[C@H](NC(=O)CCc2nc(-c3cc(Br)cs3)no2)C1 ZINC000449723928 564198660 /nfs/dbraw/zinc/19/86/60/564198660.db2.gz XRYYEHUTSIPOFZ-ONGXEEELSA-N 1 0 399.314 2.737 20 0 GFADRO [NH3+]C[C@H]1CC[C@H](NC(=O)c2ccc(I)cc2Cl)C1 ZINC000449725472 564198730 /nfs/dbraw/zinc/19/87/30/564198730.db2.gz ZUWRFZPAMUOVRS-WPRPVWTQSA-N 1 0 378.641 2.802 20 0 GFADRO CC(C)C[C@H]([NH3+])c1noc(CN2c3ccc(Br)cc3OCC2=O)n1 ZINC000563623693 564199382 /nfs/dbraw/zinc/19/93/82/564199382.db2.gz LUIVWMUULBEOTR-NSHDSACASA-N 1 0 395.257 2.804 20 0 GFADRO CC[NH+]1CCC(N(C)C(=O)Cc2cccc(I)c2)CC1 ZINC000471601661 564199607 /nfs/dbraw/zinc/19/96/07/564199607.db2.gz KDZDWRDPHWJYDC-UHFFFAOYSA-N 1 0 386.277 2.776 20 0 GFADRO C[C@H](CN1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1)c1cccc(Br)c1 ZINC000538763135 564200395 /nfs/dbraw/zinc/20/03/95/564200395.db2.gz IJSKTRLGHLXEKR-CRAIPNDOSA-N 1 0 394.357 2.791 20 0 GFADRO CC1(C)[NH2+]CC[C@H]1NC(=O)c1ccc(I)cc1Cl ZINC000449758215 564200689 /nfs/dbraw/zinc/20/06/89/564200689.db2.gz ZLNLLQWWLAORQJ-LLVKDONJSA-N 1 0 378.641 2.815 20 0 GFADRO CC[C@H]1C[C@H](CNc2cc(N3CCOCC3)c(Br)c[nH+]2)CCO1 ZINC000449764789 564200749 /nfs/dbraw/zinc/20/07/49/564200749.db2.gz DNCFQADLMYSXEZ-KGLIPLIRSA-N 1 0 384.318 3.298 20 0 GFADRO OCCOC1CC[NH+](Cc2cnn(-c3ccc(Br)cc3)c2)CC1 ZINC000538763501 564200719 /nfs/dbraw/zinc/20/07/19/564200719.db2.gz HLPQNXNCQACBKF-UHFFFAOYSA-N 1 0 380.286 2.608 20 0 GFADRO C[N@H+](Cc1cccc(S(C)(=O)=O)c1)C1CCN(CCC(F)(F)F)CC1 ZINC000449784548 564201844 /nfs/dbraw/zinc/20/18/44/564201844.db2.gz BIOJGFPYEMBNDH-UHFFFAOYSA-N 1 0 378.460 2.939 20 0 GFADRO O[C@H](C[NH2+]C[C@@H]1COc2ccccc21)COc1cccc(Br)c1 ZINC000563706094 564203479 /nfs/dbraw/zinc/20/34/79/564203479.db2.gz JNPSTGWLKRWCID-UKRRQHHQSA-N 1 0 378.266 2.955 20 0 GFADRO CN(C(=O)c1ccsc1Br)C1CC[NH+](CCn2cccn2)CC1 ZINC000449853536 564205663 /nfs/dbraw/zinc/20/56/63/564205663.db2.gz CECKZLLKQOVDGU-UHFFFAOYSA-N 1 0 397.342 2.944 20 0 GFADRO C[C@H](CNC(=O)[C@H]1Cc2cc(Br)ccc2O1)[NH+]1CCC(C)CC1 ZINC000471873758 564206093 /nfs/dbraw/zinc/20/60/93/564206093.db2.gz DVTKEUPEEASLLU-CXAGYDPISA-N 1 0 381.314 2.989 20 0 GFADRO COc1ccc(Cl)cc1[C@H](CC(C)C)[NH2+]C[C@@H]1CS(=O)(=O)CCO1 ZINC000539056355 564208917 /nfs/dbraw/zinc/20/89/17/564208917.db2.gz HPUCGXORODORJY-ZBFHGGJFSA-N 1 0 375.918 2.839 20 0 GFADRO Cc1cc(C)c(Br)c(C(=O)N[C@@H](C)CC[NH+]2CCN(C)CC2)c1 ZINC000472119322 564213658 /nfs/dbraw/zinc/21/36/58/564213658.db2.gz CYXVWDBCYSOBNP-HNNXBMFYSA-N 1 0 382.346 2.822 20 0 GFADRO CSc1nc(C(C)(C)C)nc(C)c1C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000472170105 564214386 /nfs/dbraw/zinc/21/43/86/564214386.db2.gz HHIHZBCQFHONRO-GOSISDBHSA-N 1 0 382.599 2.972 20 0 GFADRO O=C(NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccsc1Br ZINC000450052795 564215779 /nfs/dbraw/zinc/21/57/79/564215779.db2.gz MUCRAXABMGZIDS-KRWDZBQOSA-N 1 0 395.322 2.877 20 0 GFADRO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(I)cc2F)C1 ZINC000450097010 564216314 /nfs/dbraw/zinc/21/63/14/564216314.db2.gz LRLMINROCFKUGF-QMTHXVAHSA-N 1 0 390.240 2.889 20 0 GFADRO CCC[N@H+](CC)CCNC(=O)c1cc(F)ccc1I ZINC000472225315 564217581 /nfs/dbraw/zinc/21/75/81/564217581.db2.gz VPECBOWQUFXSRN-UHFFFAOYSA-N 1 0 378.229 2.892 20 0 GFADRO CCC[NH+]1CCC(N(C)C(=O)NCc2ccc(S(=O)(=O)CC)s2)CC1 ZINC000472317808 564220892 /nfs/dbraw/zinc/22/08/92/564220892.db2.gz XBWDPEIUOBJTLP-UHFFFAOYSA-N 1 0 387.571 2.558 20 0 GFADRO Cc1cc(S(=O)(=O)N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c(C)cc1Br ZINC000472323152 564221204 /nfs/dbraw/zinc/22/12/04/564221204.db2.gz SYRQLWMGMKTGNE-OLZOCXBDSA-N 1 0 387.343 2.969 20 0 GFADRO COc1ccc(C[NH2+][C@H]2CCN(S(=O)(=O)c3ccccc3)C2)c(Cl)c1 ZINC000564119643 564221331 /nfs/dbraw/zinc/22/13/31/564221331.db2.gz UJJBWPSQVGCJQP-HNNXBMFYSA-N 1 0 380.897 2.901 20 0 GFADRO Cc1ncc(S(=O)(=O)N2CCCC[C@@H]2[C@@H](C[NH3+])Cc2ccccc2)s1 ZINC000472338809 564222109 /nfs/dbraw/zinc/22/21/09/564222109.db2.gz BMLNKQCVVJTQSH-IAGOWNOFSA-N 1 0 379.551 2.812 20 0 GFADRO CN(C(=O)Nc1ccnn1Cc1ccccc1Br)[C@H]1CC[NH2+]C1 ZINC000564187529 564223573 /nfs/dbraw/zinc/22/35/73/564223573.db2.gz IDSHTNTWRAUQKH-ZDUSSCGKSA-N 1 0 378.274 2.520 20 0 GFADRO COc1cc2[nH+]ccc(NC[C@H]3CCCCS3(=O)=O)c2cc1Br ZINC000564207087 564224731 /nfs/dbraw/zinc/22/47/31/564224731.db2.gz QCARJGCZISMIDG-LLVKDONJSA-N 1 0 399.310 2.807 20 0 GFADRO Cn1ccc(C(=O)Nc2cc(Br)ccc2N2CC[NH+](C)CC2)c1 ZINC000539644996 564224994 /nfs/dbraw/zinc/22/49/94/564224994.db2.gz RSMADATVOLULFK-UHFFFAOYSA-N 1 0 377.286 2.792 20 0 GFADRO C[C@@H](CC(=O)NCCC[N@H+](C)CCN(C)C)c1ccc(Br)cc1 ZINC000564199019 564224955 /nfs/dbraw/zinc/22/49/55/564224955.db2.gz QVDFUWZYEZOPRR-HNNXBMFYSA-N 1 0 384.362 2.942 20 0 GFADRO CCN1CCN(C(=O)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)[C@@H](C)C1 ZINC000507321987 564225864 /nfs/dbraw/zinc/22/58/64/564225864.db2.gz BOFSAIQFDWKATN-JTQLQIEISA-N 1 0 377.794 2.850 20 0 GFADRO Cn1ccnc1[C@H](NC(=O)C(=O)Nc1ccc(Br)cc1F)C1CC1 ZINC000507390717 564228058 /nfs/dbraw/zinc/22/80/58/564228058.db2.gz FWXYDVNOVJAPSK-CYBMUJFWSA-N 1 0 395.232 2.528 20 0 GFADRO C[C@@]1(CO)CCC[C@H]1[NH2+]Cc1csc(-c2ccc(S(C)(=O)=O)cc2)n1 ZINC000472619832 564229734 /nfs/dbraw/zinc/22/97/34/564229734.db2.gz SKDPNXAODLCRIN-AEFFLSMTSA-N 1 0 380.535 2.854 20 0 GFADRO CC[C@H]1CN(c2ncnc3cc(Br)ccc32)C[C@H]1[NH+]1CCOCC1 ZINC000450386103 564230764 /nfs/dbraw/zinc/23/07/64/564230764.db2.gz DCYODXFSASXYCB-SUMWQHHRSA-N 1 0 391.313 2.939 20 0 GFADRO CC[NH+](CC)CCS(=O)(=O)N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 ZINC000564400519 564232013 /nfs/dbraw/zinc/23/20/13/564232013.db2.gz ODJLLKTZVSTFAZ-MRXNPFEDSA-N 1 0 378.897 2.524 20 0 GFADRO CC[N@@H+]1CCCN(C(=O)c2ccc(I)cc2NC)CC1 ZINC000564467043 564234636 /nfs/dbraw/zinc/23/46/36/564234636.db2.gz YTLSXNVHWGWRCW-UHFFFAOYSA-N 1 0 387.265 2.501 20 0 GFADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1c(C)c(C)sc1Br ZINC000507619600 564235169 /nfs/dbraw/zinc/23/51/69/564235169.db2.gz ZCKJCEIGJKGUQD-GFCCVEGCSA-N 1 0 375.332 2.968 20 0 GFADRO Cc1cc(Br)cc(NC(=O)C(=O)N2C[C@H]([NH+]3CCCC3)C[C@H]2C)c1 ZINC000507651719 564237314 /nfs/dbraw/zinc/23/73/14/564237314.db2.gz XPWUYAPFEJZHGT-CZUORRHYSA-N 1 0 394.313 2.781 20 0 GFADRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)c1ccccc1-n1cc(Br)cn1 ZINC000450559510 564238484 /nfs/dbraw/zinc/23/84/84/564238484.db2.gz FTMGLFAZEZRJMF-CHWSQXEVSA-N 1 0 377.286 2.799 20 0 GFADRO O=S1(=O)CCO[C@H](C[NH2+][C@@H]2CCCOc3c(Cl)c(Cl)ccc32)C1 ZINC000540162210 564241268 /nfs/dbraw/zinc/24/12/68/564241268.db2.gz FGHOTHHCMIQMCT-ZWNOBZJWSA-N 1 0 380.293 2.610 20 0 GFADRO O=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)[C@@H]1Cc2cc(Br)ccc2O1 ZINC000473240803 564242043 /nfs/dbraw/zinc/24/20/43/564242043.db2.gz XFOFHRSAQRMMQY-RDJZCZTQSA-N 1 0 379.298 2.886 20 0 GFADRO Cn1cnc2cc(C[NH2+]CCNC(=O)c3ccc(Br)cc3)ccc21 ZINC000540321375 564245363 /nfs/dbraw/zinc/24/53/63/564245363.db2.gz QKIQNQWSLYANRK-UHFFFAOYSA-N 1 0 387.281 2.855 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)c(C)c1C(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000564728082 564246447 /nfs/dbraw/zinc/24/64/47/564246447.db2.gz BCEFBYSLESZDQQ-BDJLRTHQSA-N 1 0 391.313 2.979 20 0 GFADRO C[C@H]([NH2+]CCNS(=O)(=O)c1cccc(Cl)c1Cl)[C@H]1CCCOC1 ZINC000564746437 564247002 /nfs/dbraw/zinc/24/70/02/564247002.db2.gz IBGLKXCQDPBSRT-RYUDHWBXSA-N 1 0 381.325 2.676 20 0 GFADRO CC[NH+](CC)[C@H](CNC(=O)C(=O)N1CCS[C@@H](C)CC1)c1ccsc1 ZINC000564740746 564247387 /nfs/dbraw/zinc/24/73/87/564247387.db2.gz FWTMJTBBPFXKIJ-GOEBONIOSA-N 1 0 383.583 2.601 20 0 GFADRO CC[NH+](CC)CCNC(=O)N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000473462760 564248331 /nfs/dbraw/zinc/24/83/31/564248331.db2.gz MRWPBGBYVOWTPU-CQSZACIVSA-N 1 0 387.311 2.740 20 0 GFADRO C[C@@H]1CN(c2ccc(-c3ccc(Br)s3)nn2)C[C@H](C)[N@H+]1CCO ZINC000450800165 564248739 /nfs/dbraw/zinc/24/87/39/564248739.db2.gz YDGOZEXVKWOIGU-TXEJJXNPSA-N 1 0 397.342 2.859 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@H](C)NC(=O)c1ccc(Br)cc1 ZINC000473512517 564248993 /nfs/dbraw/zinc/24/89/93/564248993.db2.gz ZLCRLPPSFWTJAJ-XJKSGUPXSA-N 1 0 396.329 2.510 20 0 GFADRO CO[C@@H](c1ccc(Br)cc1)[C@@H](C)[NH2+]CCC(=O)Nc1cc(C)on1 ZINC000564848310 564252338 /nfs/dbraw/zinc/25/23/38/564252338.db2.gz BUXDZGANYIOPPK-SJKOYZFVSA-N 1 0 396.285 3.440 20 0 GFADRO C[NH+](C)Cc1ccc(NC(=O)CNC(=O)c2ccc(Br)cc2)cc1 ZINC000473688179 564252498 /nfs/dbraw/zinc/25/24/98/564252498.db2.gz ADCVPXPCYBEJHH-UHFFFAOYSA-N 1 0 390.281 2.879 20 0 GFADRO CCC[N@H+](CC)CCNC(=O)C(=O)Nc1cc(Cl)c(OC)c(Cl)c1 ZINC000473689997 564252690 /nfs/dbraw/zinc/25/26/90/564252690.db2.gz BNKJYMNIGDKOMU-UHFFFAOYSA-N 1 0 376.284 2.789 20 0 GFADRO CC(C)N(C)C[C@H](C)[NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000564870245 564253608 /nfs/dbraw/zinc/25/36/08/564253608.db2.gz YYWWGCOMULVAHJ-SWLSCSKDSA-N 1 0 377.298 2.646 20 0 GFADRO OC[C@H]([NH2+]C[C@@H]1COCCO1)c1ccc(Br)cc1C(F)(F)F ZINC000450897457 564254241 /nfs/dbraw/zinc/25/42/41/564254241.db2.gz PVNCAUOVYMVDHW-MFKMUULPSA-N 1 0 384.192 2.506 20 0 GFADRO CC(C)c1noc(CCCNC(=O)[C@@](C)([NH3+])c2ccc(Br)cc2)n1 ZINC000564906626 564255549 /nfs/dbraw/zinc/25/55/49/564255549.db2.gz NODPHBYRIPPPBA-KRWDZBQOSA-N 1 0 395.301 2.878 20 0 GFADRO C[NH+](C)CCCNC(=O)CSc1nnc(-c2cccc(Br)c2)o1 ZINC000540729636 564255810 /nfs/dbraw/zinc/25/58/10/564255810.db2.gz SXOHBNYEVDGUME-UHFFFAOYSA-N 1 0 399.314 2.659 20 0 GFADRO CS[C@@H]1CN(C(=O)c2cc(C)n(-c3cccc(Cl)c3)n2)C[C@@H]1[NH+](C)C ZINC000540805423 564256551 /nfs/dbraw/zinc/25/65/51/564256551.db2.gz IQPCKVXZPNYYPQ-DLBZAZTESA-N 1 0 378.929 2.952 20 0 GFADRO O=C(Cc1csc(NC(=O)c2cccs2)n1)NCCC[C@H]1CCC[NH2+]1 ZINC000564955357 564258882 /nfs/dbraw/zinc/25/88/82/564258882.db2.gz YITOAIOARYHILO-GFCCVEGCSA-N 1 0 378.523 2.648 20 0 GFADRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NS(=O)(=O)c1cc(F)ccc1Br ZINC000473944138 564258938 /nfs/dbraw/zinc/25/89/38/564258938.db2.gz WEEHOMXSDGPFEQ-VXGBXAGGSA-N 1 0 393.322 2.987 20 0 GFADRO CCC[C@H]1C[NH2+]CCN1C(=O)CNC(=O)c1sc2ccccc2c1Cl ZINC000564950835 564259155 /nfs/dbraw/zinc/25/91/55/564259155.db2.gz XAGINARCQOGDPL-LBPRGKRZSA-N 1 0 379.913 2.885 20 0 GFADRO C[N@@H+]1CCN(CCNC(=O)[C@H]2C[C@H]2c2ccc(Br)cc2)CC1(C)C ZINC000508281772 564259712 /nfs/dbraw/zinc/25/97/12/564259712.db2.gz BAXPDIQYXIHIKW-IRXDYDNUSA-N 1 0 394.357 2.695 20 0 GFADRO FC(F)(F)OCC[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000474017477 564261610 /nfs/dbraw/zinc/26/16/10/564261610.db2.gz KZLXDQDVVCUBMW-UHFFFAOYSA-N 1 0 383.208 2.912 20 0 GFADRO O=C(N[C@H]1COc2cc(F)c(Br)cc21)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000564993058 564262019 /nfs/dbraw/zinc/26/20/19/564262019.db2.gz NLTCBGRGELBFKM-HOTGVXAUSA-N 1 0 391.240 2.852 20 0 GFADRO Cc1cc(CNC(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)ccc1I ZINC000541087874 564265959 /nfs/dbraw/zinc/26/59/59/564265959.db2.gz INGCCBFEVMTJHQ-CYBMUJFWSA-N 1 0 399.276 2.636 20 0 GFADRO C[C@H]([NH2+]C[C@@H]1CCNC(=O)CC1)c1ccc(Br)cc1OCCCO ZINC000451047621 564267093 /nfs/dbraw/zinc/26/70/93/564267093.db2.gz CQKUQQTVHNQERB-KBPBESRZSA-N 1 0 399.329 2.777 20 0 GFADRO CCN1CC[C@H]([NH2+][C@H](C)CS(=O)(=O)CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000541175201 564268437 /nfs/dbraw/zinc/26/84/37/564268437.db2.gz ARAIQQCKRRPFJZ-XQAQDONZSA-N 1 0 378.460 2.652 20 0 GFADRO C[NH+](C)CC1(NC(=O)c2cn(-c3ccc(Br)cc3)cn2)CCC1 ZINC000508634255 564268366 /nfs/dbraw/zinc/26/83/66/564268366.db2.gz FFNNKWZSBFSJAX-UHFFFAOYSA-N 1 0 377.286 2.849 20 0 GFADRO O=S1(=O)CCCN1CC[NH2+][C@H](Cc1ccc(Cl)cc1)c1ccccn1 ZINC000541193607 564268495 /nfs/dbraw/zinc/26/84/95/564268495.db2.gz LDQBWELSEYCSKR-GOSISDBHSA-N 1 0 379.913 2.644 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1cc(I)ccc1F ZINC000474184146 564268667 /nfs/dbraw/zinc/26/86/67/564268667.db2.gz VRRKLIWGRHWNRG-ZIAGYGMSSA-N 1 0 388.224 2.787 20 0 GFADRO CN(C)C(=O)CN1CCC([NH2+][C@H]2CCCc3c(Br)cccc32)CC1 ZINC000541220861 564269931 /nfs/dbraw/zinc/26/99/31/564269931.db2.gz AYQJAVUBNIIQEW-SFHVURJKSA-N 1 0 394.357 2.969 20 0 GFADRO Cc1cc(Br)cn2c(C[NH2+]CCc3cccc(C(N)=O)c3)cnc12 ZINC000508747152 564271061 /nfs/dbraw/zinc/27/10/61/564271061.db2.gz KCDUSETVGZCDRG-UHFFFAOYSA-N 1 0 387.281 2.836 20 0 GFADRO COC(=O)c1ccc(OC[C@@H](O)C[NH2+]Cc2cccc(Br)c2)cc1 ZINC000565298879 564274591 /nfs/dbraw/zinc/27/45/91/564274591.db2.gz CCCHTPIZWIDJMZ-INIZCTEOSA-N 1 0 394.265 2.765 20 0 GFADRO C[C@H](CNS(=O)(=O)c1ccc(OCC(F)F)cc1)[N@@H+]1CCC[C@H](C)C1 ZINC000541326375 564274870 /nfs/dbraw/zinc/27/48/70/564274870.db2.gz CYHDKAGSGAOIJO-UONOGXRCSA-N 1 0 376.469 2.729 20 0 GFADRO C[NH2+][C@H]1CCN(C(=O)NCCOc2ccc3cc(Br)ccc3c2)C1 ZINC000565353521 564276565 /nfs/dbraw/zinc/27/65/65/564276565.db2.gz TVJXOMXAHVGQCN-INIZCTEOSA-N 1 0 392.297 2.984 20 0 GFADRO Cc1cc(Br)cc(C)c1N1CCC[C@H]([N@@H+]2C[C@H](C)[C@H](O)C2)C1=O ZINC000509022095 564278891 /nfs/dbraw/zinc/27/88/91/564278891.db2.gz JYXSDZGBPSKRAA-CWRNSKLLSA-N 1 0 381.314 2.874 20 0 GFADRO CCC[N@H+](C)[C@@H](CNC(=O)NC[C@]1(O)CCSC1)c1ccc(Cl)cc1 ZINC000509051135 564279765 /nfs/dbraw/zinc/27/97/65/564279765.db2.gz OEXMTGPLPXWBFA-FUHWJXTLSA-N 1 0 385.961 2.890 20 0 GFADRO C[C@H](CNC(=O)NCC[N@H+]1CC=CCC1)Oc1ccccc1Br ZINC000474502690 564280652 /nfs/dbraw/zinc/28/06/52/564280652.db2.gz ZQTKPMKWFXQNGA-CQSZACIVSA-N 1 0 382.302 2.778 20 0 GFADRO CN(CC[N@H+](C)C1CC1)C(=O)[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000474582165 564282581 /nfs/dbraw/zinc/28/25/81/564282581.db2.gz UJSYZKZBWVEFQB-AWEZNQCLSA-N 1 0 384.307 2.899 20 0 GFADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNCc1c(F)cccc1Br ZINC000474604771 564283493 /nfs/dbraw/zinc/28/34/93/564283493.db2.gz YRMCIFHGKAOGJP-MRXNPFEDSA-N 1 0 386.309 2.621 20 0 GFADRO C[C@@H](CCc1ccc(I)cc1)[NH2+]C[C@@H]1COCCO1 ZINC000474628050 564284344 /nfs/dbraw/zinc/28/43/44/564284344.db2.gz IBPBGRLOQACHNG-SWLSCSKDSA-N 1 0 375.250 2.617 20 0 GFADRO CO[C@@H]1CC[C@H]([NH2+]C[C@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000565536201 564285157 /nfs/dbraw/zinc/28/51/57/564285157.db2.gz XWBTUUINJYHOFA-RWMBFGLXSA-N 1 0 378.694 2.999 20 0 GFADRO COc1cc(C(F)(F)F)cc(S(=O)(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)c1 ZINC000451194060 564285533 /nfs/dbraw/zinc/28/55/33/564285533.db2.gz RHYFXESAHQOEDD-AAEUAGOBSA-N 1 0 378.416 2.571 20 0 GFADRO C[C@H](C[C@@H]1COCC[NH2+]1)N[C@@H](C)c1cc2c(cc1Br)OCCO2 ZINC000565533586 564285514 /nfs/dbraw/zinc/28/55/14/564285514.db2.gz ACNUXMVTFQLUJX-FRRDWIJNSA-N 1 0 385.302 2.638 20 0 GFADRO COc1ncc(C(=O)Nc2ccc3c(c2F)CC[NH2+]C3)cc1Br ZINC000565534787 564285630 /nfs/dbraw/zinc/28/56/30/564285630.db2.gz IGEMUPWHDXHHQE-UHFFFAOYSA-N 1 0 380.217 2.890 20 0 GFADRO C[C@H]([NH2+]CCNS(=O)(=O)c1cccnc1)C1CCC(C(F)(F)F)CC1 ZINC000474870265 564291743 /nfs/dbraw/zinc/29/17/43/564291743.db2.gz SLZBUGRLGQJYOK-HSBZDZAISA-N 1 0 379.448 2.707 20 0 GFADRO C[NH+](C)[C@H]1CCCN(C(=O)c2cc(I)ccc2F)C1 ZINC000474880162 564292132 /nfs/dbraw/zinc/29/21/32/564292132.db2.gz OCXCEINIMCNZOB-NSHDSACASA-N 1 0 376.213 2.597 20 0 GFADRO Cc1[nH]c(=O)sc1S(=O)(=O)NCC[NH2+][C@H](C)[C@H](C)C1CCCCC1 ZINC000474939818 564294955 /nfs/dbraw/zinc/29/49/55/564294955.db2.gz BRAQKLWPPRADLL-NWDGAFQWSA-N 1 0 375.560 2.630 20 0 GFADRO CCC1(C[NH2+]CCNS(=O)(=O)c2ccc(F)cc2Cl)CCOCC1 ZINC000509400802 564296293 /nfs/dbraw/zinc/29/62/93/564296293.db2.gz MNIOBSLIUOJTON-UHFFFAOYSA-N 1 0 378.897 2.554 20 0 GFADRO COC(=O)c1cc(Br)cc(C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)c1 ZINC000565808248 564297013 /nfs/dbraw/zinc/29/70/13/564297013.db2.gz BAWDJSLQZNFQIK-OAHLLOKOSA-N 1 0 381.270 2.546 20 0 GFADRO O=C1C[C@@H]([NH2+]CC2=Cc3cc(Br)ccc3OC2)[C@H]2CCCCN12 ZINC000509414621 564297463 /nfs/dbraw/zinc/29/74/63/564297463.db2.gz HETBJZPUJTWRCS-HZPDHXFCSA-N 1 0 377.282 2.968 20 0 GFADRO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1c1cc(C(F)(F)F)c(Br)cn1 ZINC000565830159 564297976 /nfs/dbraw/zinc/29/79/76/564297976.db2.gz FZXKVHPMBIKSSI-NXEZZACHSA-N 1 0 382.224 2.754 20 0 GFADRO COc1ccc(C[NH2+]CCOc2ccc(I)cc2)cn1 ZINC000509428334 564298361 /nfs/dbraw/zinc/29/83/61/564298361.db2.gz FBPSGBONLOFROW-UHFFFAOYSA-N 1 0 384.217 2.863 20 0 GFADRO O[C@H](COc1ccc(Cl)cc1Cl)C[N@@H+]1C[C@H](O)C[C@H]1[C@@H]1CCCOC1 ZINC000451302596 564298076 /nfs/dbraw/zinc/29/80/76/564298076.db2.gz PABKJNNMJGQRBG-UTXMOHQDSA-N 1 0 390.307 2.595 20 0 GFADRO Cn1cc(CN2C[C@@H](F)C[C@H]2C[NH2+]Cc2cnc(C(F)(F)F)s2)cn1 ZINC000475037201 564298701 /nfs/dbraw/zinc/29/87/01/564298701.db2.gz BPULEIXPHSFPNH-RYUDHWBXSA-N 1 0 377.411 2.598 20 0 GFADRO O=C(NC[C@@]1(O)C[NH+]2CCC1CC2)c1ccc2scc(Br)c2c1 ZINC000565844125 564298962 /nfs/dbraw/zinc/29/89/62/564298962.db2.gz SGCRWCNGUZGHTF-QGZVFWFLSA-N 1 0 395.322 2.850 20 0 GFADRO O=C(NC1CC[NH+](CCOc2ccc(Cl)cc2)CC1)N1CCSCC1 ZINC000509439121 564299668 /nfs/dbraw/zinc/29/96/68/564299668.db2.gz WBBZNONGIRSMJJ-UHFFFAOYSA-N 1 0 383.945 2.942 20 0 GFADRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1Cc1nc(Cc2cccc(Br)c2)no1 ZINC000509433380 564299756 /nfs/dbraw/zinc/29/97/56/564299756.db2.gz UNFHQBZMYTUTKA-QWHCGFSZSA-N 1 0 379.302 2.947 20 0 GFADRO CS(=O)(=O)NCC[NH2+]Cc1ccc(-c2ccccc2Br)cc1 ZINC000509463556 564300332 /nfs/dbraw/zinc/30/03/32/564300332.db2.gz LMUKOLXTVXOWRX-UHFFFAOYSA-N 1 0 383.311 2.755 20 0 GFADRO CN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc(Cl)cc1Br ZINC000542146732 564302921 /nfs/dbraw/zinc/30/29/21/564302921.db2.gz BZLJCBFVGXLHRL-UHFFFAOYSA-N 1 0 381.723 2.817 20 0 GFADRO Cc1ncsc1CCS(=O)(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000451352314 564303914 /nfs/dbraw/zinc/30/39/14/564303914.db2.gz YJECQHCWCCBWAZ-UHFFFAOYSA-N 1 0 385.599 2.912 20 0 GFADRO O=C(C[NH+]1CCC(CF)CC1)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000451387294 564307283 /nfs/dbraw/zinc/30/72/83/564307283.db2.gz CYINZINWIJBPJF-UHFFFAOYSA-N 1 0 389.302 2.719 20 0 GFADRO Cn1cc(Br)c(CN[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)n1 ZINC000566088696 564308248 /nfs/dbraw/zinc/30/82/48/564308248.db2.gz ZCVLTZDCRUWJRG-PBHICJAKSA-N 1 0 377.286 2.528 20 0 GFADRO CNC(=O)CCOC1CC[NH+](CCCc2ccccc2Br)CC1 ZINC000542276805 564308400 /nfs/dbraw/zinc/30/84/00/564308400.db2.gz DMYVEVPQMDBQJS-UHFFFAOYSA-N 1 0 383.330 2.999 20 0 GFADRO O[C@H](COc1ccc(Br)cc1)C[N@@H+]1CCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000451410433 564310355 /nfs/dbraw/zinc/31/03/55/564310355.db2.gz SMZUSPPBNZUNNF-OWLYRPNTSA-N 1 0 384.314 2.814 20 0 GFADRO CS[C@@H]1CN(S(=O)(=O)C[C@@H]2CCCCC2(F)F)C[C@@H]1[NH+]1CCCC1 ZINC000451408189 564310582 /nfs/dbraw/zinc/31/05/82/564310582.db2.gz NBVPDAXOBQWZME-SOUVJXGZSA-N 1 0 382.542 2.653 20 0 GFADRO COCCOC[C@H](O)C[NH2+]C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000566117972 564310709 /nfs/dbraw/zinc/31/07/09/564310709.db2.gz VNIOKBAHLPNNBZ-MRXNPFEDSA-N 1 0 391.339 2.571 20 0 GFADRO CS(=O)(=O)[C@@H]1CCC[C@@H]([NH2+]C[C@@H](O)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000566117817 564310826 /nfs/dbraw/zinc/31/08/26/564310826.db2.gz QFODABWPYKOBCB-OWCLPIDISA-N 1 0 379.444 2.554 20 0 GFADRO COC(=O)c1ccc(S(=O)(=O)NC[C@H](C)C[NH+]2CCCCC2)c(Cl)c1 ZINC000509785562 564312989 /nfs/dbraw/zinc/31/29/89/564312989.db2.gz AHJVTWDINMNAFB-ZDUSSCGKSA-N 1 0 388.917 2.527 20 0 GFADRO NC(=O)C[C@H]1CCCC[N@@H+]1Cc1ccc(Br)cc1N1CCOCC1 ZINC000475576560 564313300 /nfs/dbraw/zinc/31/33/00/564313300.db2.gz UZRVPEWHHAOEHJ-MRXNPFEDSA-N 1 0 396.329 2.516 20 0 GFADRO COc1cc(Br)ccc1CCCNC(=O)N1CCC[N@H+](C)CC1 ZINC000542446139 564313339 /nfs/dbraw/zinc/31/33/39/564313339.db2.gz UACDQPVVNWCUEW-UHFFFAOYSA-N 1 0 384.318 2.737 20 0 GFADRO CC[C@@H]1[NH2+]CC[C@H]1C(=O)N[C@H](CC(=O)OC)c1ccc(Br)cc1 ZINC000566165117 564313368 /nfs/dbraw/zinc/31/33/68/564313368.db2.gz FYSPUFXQZQBDCE-QLFBSQMISA-N 1 0 383.286 2.558 20 0 GFADRO CN1CCN(C)[C@@H](c2noc([C@H]3CCc4cc(Br)ccc43)n2)C1 ZINC000566217670 564316839 /nfs/dbraw/zinc/31/68/39/564316839.db2.gz VMJQHAWNAAAPAC-LSDHHAIUSA-N 1 0 377.286 2.829 20 0 GFADRO NC(=O)[C@H]1CCC[C@@H]([NH2+]Cc2ncc(Br)cc2Br)C1 ZINC000542517194 564317162 /nfs/dbraw/zinc/31/71/62/564317162.db2.gz QEVSBDQZYXYFEW-WCBMZHEXSA-N 1 0 391.107 2.740 20 0 GFADRO C[C@H]1C[C@H](C[NH3+])CN1S(=O)(=O)c1ccc2ccccc2c1Br ZINC000566224905 564318049 /nfs/dbraw/zinc/31/80/49/564318049.db2.gz JYVKFQUQXUAVEO-NWDGAFQWSA-N 1 0 383.311 2.960 20 0 GFADRO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)NCC1(c2ccc(Cl)cc2Cl)CCC1 ZINC000566236412 564318974 /nfs/dbraw/zinc/31/89/74/564318974.db2.gz DHOFIJYKIOQRAN-RYUDHWBXSA-N 1 0 386.323 2.773 20 0 GFADRO CCC[C@@H]([NH2+]C(C)C)C(=O)Nc1cnc(N2CCOCC2)c(Br)c1 ZINC000509983219 564321004 /nfs/dbraw/zinc/32/10/04/564321004.db2.gz CEZFCSJFJHJFSG-OAHLLOKOSA-N 1 0 399.333 2.786 20 0 GFADRO COC(=O)C[C@@H]1CSCC[N@@H+]1C[C@H](O)COc1ccc(Cl)cc1Cl ZINC000475878903 564323793 /nfs/dbraw/zinc/32/37/93/564323793.db2.gz GQJYMIIKQZLBNM-OLZOCXBDSA-N 1 0 394.320 2.714 20 0 GFADRO CO[C@H]1CC[N@H+](CC(=O)N(C)Cc2cc(Br)cs2)C[C@@H]1C ZINC000451539088 564323915 /nfs/dbraw/zinc/32/39/15/564323915.db2.gz FBEMGQAGVAAXHV-FZMZJTMJSA-N 1 0 375.332 2.826 20 0 GFADRO CCOCCC[N@@H+]1CC[C@H](NS(=O)(=O)c2cccc(SC)c2)[C@@H](C)C1 ZINC000510144692 564326172 /nfs/dbraw/zinc/32/61/72/564326172.db2.gz CPHXIWNGSGOXPT-YJBOKZPZSA-N 1 0 386.583 2.824 20 0 GFADRO CC(C)[C@@H]([NH2+][C@@H](C(N)=O)c1ccc(Br)cc1F)[C@@H](CO)C(C)C ZINC000451602708 564330106 /nfs/dbraw/zinc/33/01/06/564330106.db2.gz VSCMXBQDAGYWQJ-NUEKZKHPSA-N 1 0 389.309 2.993 20 0 GFADRO C[NH+](C)CCOCCNC(=O)CCSc1ccccc1Br ZINC000476320816 564335158 /nfs/dbraw/zinc/33/51/58/564335158.db2.gz KZJLGGWQDQKVSC-UHFFFAOYSA-N 1 0 375.332 2.626 20 0 GFADRO COCCCOc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000476340157 564335805 /nfs/dbraw/zinc/33/58/05/564335805.db2.gz GOPUCFMXICIAHY-HIFRSBDPSA-N 1 0 390.933 2.516 20 0 GFADRO C[C@@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)cn2)CC[N@@H+](C2CCC2)C1 ZINC000566654892 564336265 /nfs/dbraw/zinc/33/62/65/564336265.db2.gz JYRUWJIAKHXSAJ-LBPRGKRZSA-N 1 0 377.432 2.595 20 0 GFADRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1S(=O)(=O)c1ccc(Br)cc1F ZINC000510524636 564336640 /nfs/dbraw/zinc/33/66/40/564336640.db2.gz YDIYTYGQEWWKDD-DGCLKSJQSA-N 1 0 391.306 2.836 20 0 GFADRO Cc1ccc(C(=O)N(CCC[NH+](C)C)[C@@H]2CCS(=O)(=O)C2)c(Cl)c1C ZINC000543102464 564337211 /nfs/dbraw/zinc/33/72/11/564337211.db2.gz OZJHJWKHUHFEQE-OAHLLOKOSA-N 1 0 386.945 2.538 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)CNC(=O)c2sc3ccccc3c2Cl)C1 ZINC000566736707 564341401 /nfs/dbraw/zinc/34/14/01/564341401.db2.gz NQAQGNNBBJCGDN-VXGBXAGGSA-N 1 0 379.913 2.870 20 0 GFADRO CSC1(CNC(=O)NCc2cn3cc(Cl)ccc3n2)CC[NH+](C)CC1 ZINC000566770347 564341815 /nfs/dbraw/zinc/34/18/15/564341815.db2.gz RWGPMYQBCDWHQT-UHFFFAOYSA-N 1 0 381.933 2.614 20 0 GFADRO C[N@H+](CCNC(=O)NCCc1c[nH]c2ccc(Br)cc12)C1CC1 ZINC000543196481 564342824 /nfs/dbraw/zinc/34/28/24/564342824.db2.gz OOKRZGPUKKNUJY-UHFFFAOYSA-N 1 0 379.302 2.866 20 0 GFADRO C[C@H](CCc1c(F)cccc1F)[NH2+]C[C@@H](O)CS(=O)(=O)c1cccs1 ZINC000510682777 564343255 /nfs/dbraw/zinc/34/32/55/564343255.db2.gz NHJNHMWGOXUXMX-CHWSQXEVSA-N 1 0 389.489 2.772 20 0 GFADRO COC(=O)c1cc(Cl)ccc1S(=O)(=O)N[C@@H](C)C[NH+]1CCCCCC1 ZINC000476583342 564346967 /nfs/dbraw/zinc/34/69/67/564346967.db2.gz URYBVHUSLHURFO-ZDUSSCGKSA-N 1 0 388.917 2.669 20 0 GFADRO CSC1(CNC(=O)Nc2nc(C3CCOCC3)cs2)CC[NH+](C)CC1 ZINC000566884946 564347673 /nfs/dbraw/zinc/34/76/73/564347673.db2.gz GDSAANNHJIHPIG-UHFFFAOYSA-N 1 0 384.571 2.986 20 0 GFADRO C[C@@H](C1CC[NH+](C)CC1)N(C)S(=O)(=O)c1cccc(Br)c1F ZINC000543394639 564348391 /nfs/dbraw/zinc/34/83/91/564348391.db2.gz WECBMRUIKZIBCW-NSHDSACASA-N 1 0 393.322 2.939 20 0 GFADRO CS(=O)(=O)c1ccc(F)c(NC(=O)C[NH2+][C@@H](c2cccs2)C2CC2)c1 ZINC000543440375 564351395 /nfs/dbraw/zinc/35/13/95/564351395.db2.gz ZOWKVLJRTIIIGG-QGZVFWFLSA-N 1 0 382.482 2.970 20 0 GFADRO CC1(C)CCC[NH2+][C@@H]1CNc1cnn(-c2ccccn2)c(=O)c1Br ZINC000566964572 564351684 /nfs/dbraw/zinc/35/16/84/564351684.db2.gz JGIXEEZPVXPWSA-CYBMUJFWSA-N 1 0 392.301 2.580 20 0 GFADRO CN(CCC(=O)NCC(=O)c1ccccc1)Cc1cc(Br)cn1C ZINC000511138136 564359572 /nfs/dbraw/zinc/35/95/72/564359572.db2.gz XMTODZPVPSRCSZ-UHFFFAOYSA-N 1 0 392.297 2.609 20 0 GFADRO O[C@@H]1C[C@H]([C@@H]2CCCOC2)[N@H+](Cc2cc3c(cc2Br)OCO3)C1 ZINC000567190011 564361197 /nfs/dbraw/zinc/36/11/97/564361197.db2.gz WYRFQDWAFOARCQ-UXIGCNINSA-N 1 0 384.270 2.540 20 0 GFADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N[C@@H](C)Cc1ccc(Cl)cc1Cl ZINC000477027207 564362021 /nfs/dbraw/zinc/36/20/21/564362021.db2.gz JWRPZLXUCMKKJW-STQMWFEESA-N 1 0 388.339 2.887 20 0 GFADRO COC(=O)c1cc(C[NH2+]CCC(=O)Nc2ccc(Br)cc2)cn1C ZINC000567280312 564364181 /nfs/dbraw/zinc/36/41/81/564364181.db2.gz CTEWHIRRQDBWHF-UHFFFAOYSA-N 1 0 394.269 2.693 20 0 GFADRO C[C@H](c1ccccc1Br)N1CC[NH+]([C@@H]2CCNC(=O)CC2)CC1 ZINC000451919069 564366365 /nfs/dbraw/zinc/36/63/65/564366365.db2.gz RMBNJPYWBQTEQG-CABCVRRESA-N 1 0 380.330 2.796 20 0 GFADRO COc1cc(Br)ccc1CCC(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000543878981 564368009 /nfs/dbraw/zinc/36/80/09/564368009.db2.gz DUPIWONNMNOVSE-CYBMUJFWSA-N 1 0 381.314 2.991 20 0 GFADRO CNc1cc(I)ccc1C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000567351199 564368096 /nfs/dbraw/zinc/36/80/96/564368096.db2.gz RRWCMUPWQFMQAD-ZDUSSCGKSA-N 1 0 399.276 2.643 20 0 GFADRO C[C@H](CC[NH3+])NC(=O)c1ccccc1Sc1ccc(S(C)(=O)=O)cc1 ZINC000477184448 564368993 /nfs/dbraw/zinc/36/89/93/564368993.db2.gz FCXDPXNODZGUDF-CYBMUJFWSA-N 1 0 378.519 2.708 20 0 GFADRO C[C@@H](CC[NH3+])NC(=O)c1nn(-c2cccc(Br)c2)c2c1CCCC2 ZINC000477245530 564370678 /nfs/dbraw/zinc/37/06/78/564370678.db2.gz YSRJZJZOWWHFLO-LBPRGKRZSA-N 1 0 391.313 2.981 20 0 GFADRO Cc1ccc(I)cc1C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000477326438 564373200 /nfs/dbraw/zinc/37/32/00/564373200.db2.gz UMXUXTQIMRMASU-GJZGRUSLSA-N 1 0 384.261 2.956 20 0 GFADRO COCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](Cc2cc(OC)ccc2Br)C1 ZINC000511477080 564373497 /nfs/dbraw/zinc/37/34/97/564373497.db2.gz JUXOHXSFZCUVEW-UONOGXRCSA-N 1 0 399.329 2.821 20 0 GFADRO COCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](Cc2ccc(Br)s2)C1 ZINC000511503128 564374691 /nfs/dbraw/zinc/37/46/91/564374691.db2.gz GETCLMIXRMMHRR-NEPJUHHUSA-N 1 0 375.332 2.874 20 0 GFADRO CC[NH+](CC)CCS(=O)(=O)N1CCC[C@H](C(F)(F)F)[C@@H]1C(F)(F)F ZINC000451985045 564375974 /nfs/dbraw/zinc/37/59/74/564375974.db2.gz LYGJCARHCZXKCS-WDEREUQCSA-N 1 0 384.386 2.863 20 0 GFADRO C[C@@H](CNS(=O)(=O)c1ccc(OCC(F)F)cc1)[N@@H+]1CCCC[C@@H]1C ZINC000544120972 564376271 /nfs/dbraw/zinc/37/62/71/564376271.db2.gz VBJDAYFHFFDDES-KBPBESRZSA-N 1 0 376.469 2.872 20 0 GFADRO COc1cc(Br)ccc1CCC[N@H+](C)C[C@H]1CCS(=O)(=O)C1 ZINC000544141533 564377283 /nfs/dbraw/zinc/37/72/83/564377283.db2.gz BNUJVBHQYYHIOW-CYBMUJFWSA-N 1 0 390.343 2.757 20 0 GFADRO [NH3+][C@H]1CCCO[C@H]1C1CCN(C(=O)COc2ccc(Br)cc2)CC1 ZINC000567658431 564381067 /nfs/dbraw/zinc/38/10/67/564381067.db2.gz HAYSWOCXZSJMRL-WMZOPIPTSA-N 1 0 397.313 2.573 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@@H](NCc2cn(-c3ccccc3Br)nn2)C1 ZINC000567652992 564381453 /nfs/dbraw/zinc/38/14/53/564381453.db2.gz BDGFZLPHZFZFEH-UKRRQHHQSA-N 1 0 378.318 2.992 20 0 GFADRO O=C(NCC[N@H+]1CC=CCC1)c1ccc(Cl)c(I)c1 ZINC000477621527 564382176 /nfs/dbraw/zinc/38/21/76/564382176.db2.gz LUBXOTHNUHIIIE-UHFFFAOYSA-N 1 0 390.652 2.936 20 0 GFADRO O=C(c1ccc(I)c(F)c1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000567672336 564382585 /nfs/dbraw/zinc/38/25/85/564382585.db2.gz TXZPEKONRFGXJJ-OAHLLOKOSA-N 1 0 388.224 2.646 20 0 GFADRO Cc1c(Br)cccc1CC(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000477657537 564383366 /nfs/dbraw/zinc/38/33/66/564383366.db2.gz BIVDWGBPBVZKBJ-MRXNPFEDSA-N 1 0 383.330 2.509 20 0 GFADRO CN(C)[C@]1(C[NH2+]CCC(=O)Nc2ccc(Br)cc2)CCSC1 ZINC000567682891 564383636 /nfs/dbraw/zinc/38/36/36/564383636.db2.gz BAZGSJZENGAYLA-INIZCTEOSA-N 1 0 386.359 2.805 20 0 GFADRO C[N@H+](CC(=O)Nc1nc2c(s1)CCC2)C1CCN(CC(F)(F)F)CC1 ZINC000452029677 564384821 /nfs/dbraw/zinc/38/48/21/564384821.db2.gz FCEMNVBROCPNRO-UHFFFAOYSA-N 1 0 376.448 2.529 20 0 GFADRO Cc1ccc(CC(=O)N2C[C@@H](C[NH3+])C3(C2)CCOCC3)cc1Br ZINC000567733887 564386289 /nfs/dbraw/zinc/38/62/89/564386289.db2.gz XGCSLLVBUFDBCX-OAHLLOKOSA-N 1 0 381.314 2.514 20 0 GFADRO O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)N(Cc1cccs1)Cc1cccs1 ZINC000567753554 564387176 /nfs/dbraw/zinc/38/71/76/564387176.db2.gz YXRFFMZGNXUFJD-INIZCTEOSA-N 1 0 377.535 2.597 20 0 GFADRO O=C(CCNC(=O)[C@H]1CCC[NH2+]1)N(Cc1cccs1)Cc1cccs1 ZINC000567753555 564387522 /nfs/dbraw/zinc/38/75/22/564387522.db2.gz YXRFFMZGNXUFJD-MRXNPFEDSA-N 1 0 377.535 2.597 20 0 GFADRO Cc1ccccc1C[C@@H](CO)[NH2+]Cc1ncc(I)s1 ZINC000511985561 564387867 /nfs/dbraw/zinc/38/78/67/564387867.db2.gz AFEOTYOAUUMLNJ-LBPRGKRZSA-N 1 0 388.274 2.749 20 0 GFADRO Cc1nn(C)c(C)c1C[C@H](C)[NH2+]Cc1ncc(I)s1 ZINC000512055107 564390322 /nfs/dbraw/zinc/39/03/22/564390322.db2.gz WYUTYJLQZLZSDJ-QMMMGPOBSA-N 1 0 390.294 2.819 20 0 GFADRO C[C@H]1C[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)c2ccsc2S1(=O)=O ZINC000567806682 564390249 /nfs/dbraw/zinc/39/02/49/564390249.db2.gz YUWDLUYIQQHRSF-ZFWWWQNUSA-N 1 0 384.567 2.983 20 0 GFADRO O=C(c1csc(I)c1)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000567814613 564390607 /nfs/dbraw/zinc/39/06/07/564390607.db2.gz VSGFSTIOZSXHOW-GHMZBOCLSA-N 1 0 390.290 2.814 20 0 GFADRO Cc1nn(C)c(C)c1C[C@@H](C)[NH2+]Cc1ncc(I)s1 ZINC000512055106 564390740 /nfs/dbraw/zinc/39/07/40/564390740.db2.gz WYUTYJLQZLZSDJ-MRVPVSSYSA-N 1 0 390.294 2.819 20 0 GFADRO C[NH2+][C@@H](C(=O)N1CCC(c2ccccc2Br)CC1)c1cnn(C)c1 ZINC000567825639 564390888 /nfs/dbraw/zinc/39/08/88/564390888.db2.gz WJEFXJUDHNLPHM-QGZVFWFLSA-N 1 0 391.313 2.849 20 0 GFADRO NC(=O)[C@H](Cc1ccccc1)[NH2+][C@H]1CCN(c2ccccc2Br)C1 ZINC000544640816 564391323 /nfs/dbraw/zinc/39/13/23/564391323.db2.gz JJXAFYRWDVMNRZ-RDJZCZTQSA-N 1 0 388.309 2.714 20 0 GFADRO COc1ccc(S(=O)(=O)NC(C)(C)C[NH+]2CCCC2)c(Br)c1 ZINC000452095592 564391564 /nfs/dbraw/zinc/39/15/64/564391564.db2.gz YWVJVMVREACCSW-UHFFFAOYSA-N 1 0 391.331 2.610 20 0 GFADRO CCn1cc(Br)c(=O)c(NC(=O)c2cccc(C[NH+](C)C)c2)c1 ZINC000544647236 564391591 /nfs/dbraw/zinc/39/15/91/564391591.db2.gz BSMOSBCVJIVNOW-UHFFFAOYSA-N 1 0 378.270 2.945 20 0 GFADRO Cc1cc([C@H](C)[NH2+][C@@H]2CCCN(S(C)(=O)=O)C2)sc1Br ZINC000512117494 564392976 /nfs/dbraw/zinc/39/29/76/564392976.db2.gz WLMVUSBUPJDLBB-WDEREUQCSA-N 1 0 381.361 2.894 20 0 GFADRO COc1ccc(S(=O)(=O)N(C)[C@@H]2CC[N@@H+](C(C)C)C2)c(Br)c1 ZINC000452109165 564393620 /nfs/dbraw/zinc/39/36/20/564393620.db2.gz XLDKDRQSEKRJQV-GFCCVEGCSA-N 1 0 391.331 2.561 20 0 GFADRO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)Nc1cc(Br)cc(C(F)(F)F)c1 ZINC000567866989 564394065 /nfs/dbraw/zinc/39/40/65/564394065.db2.gz CMSZVDKCPOMENX-JGVFFNPUSA-N 1 0 396.207 2.648 20 0 GFADRO Cn1c(=O)oc2cc(C[NH2+]CC(=O)Nc3cccc(Br)c3)ccc21 ZINC000512212209 564394735 /nfs/dbraw/zinc/39/47/35/564394735.db2.gz KOIZBDJUTPMNMQ-UHFFFAOYSA-N 1 0 390.237 2.622 20 0 GFADRO COC(=O)c1c(NC(=O)C[NH2+][C@@H]2CSC[C@H]2C)sc2c1CC[C@H](C)C2 ZINC000512209450 564394813 /nfs/dbraw/zinc/39/48/13/564394813.db2.gz BJCWQNZPSGGBHO-DMDPSCGWSA-N 1 0 382.551 2.939 20 0 GFADRO CC(C)C[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)N1CC([NH+](C)C)C1 ZINC000478131716 564395752 /nfs/dbraw/zinc/39/57/52/564395752.db2.gz JULIGCWEWGMJGK-MRXNPFEDSA-N 1 0 386.323 2.910 20 0 GFADRO CCOCCOC[C@@H](O)CNc1c(C)c(C)[nH+]c2ccc(Br)cc21 ZINC000478165299 564396842 /nfs/dbraw/zinc/39/68/42/564396842.db2.gz IVOGFKMOGVLZCJ-HNNXBMFYSA-N 1 0 397.313 2.862 20 0 GFADRO CCC[C@]1([NH2+]C[C@H](O)COc2cc(F)cc(Br)c2)CCOC1 ZINC000512287887 564397221 /nfs/dbraw/zinc/39/72/21/564397221.db2.gz WIATWNXOVHEPRG-HOCLYGCPSA-N 1 0 376.266 2.877 20 0 GFADRO Cc1cc(Br)cn2cc(CCNC(=O)[C@H](C(C)C)[NH+](C)C)nc12 ZINC000544772050 564398165 /nfs/dbraw/zinc/39/81/65/564398165.db2.gz BIZGRGOTOROQFP-HNNXBMFYSA-N 1 0 381.318 2.650 20 0 GFADRO CC[C@H]1CN(C(=O)Cn2cc(Br)cn2)CC[N@@H+]1Cc1ccccc1 ZINC000544769299 564398470 /nfs/dbraw/zinc/39/84/70/564398470.db2.gz GBMSUIGZKXVUQH-KRWDZBQOSA-N 1 0 391.313 2.769 20 0 GFADRO C[N@H+](CC(=O)N1CCc2c(F)ccc(Br)c2C1)[C@@H]1CCSC1 ZINC000452190603 564399300 /nfs/dbraw/zinc/39/93/00/564399300.db2.gz IOPPWBORSAYCEW-LLVKDONJSA-N 1 0 387.318 2.910 20 0 GFADRO CC(C)(CNC(=O)N[C@H](CO)c1ccc(Br)cc1)C[NH+]1CCCC1 ZINC000478411365 564401266 /nfs/dbraw/zinc/40/12/66/564401266.db2.gz MRIDKJLEUPNBLH-MRXNPFEDSA-N 1 0 398.345 2.904 20 0 GFADRO CSc1nccn1-c1ccc(C(=O)N2C[C@@H](SC)[C@@H]([NH+](C)C)C2)cc1 ZINC000478405023 564401861 /nfs/dbraw/zinc/40/18/61/564401861.db2.gz ZHTMSNOHGCZLSZ-JKSUJKDBSA-N 1 0 376.551 2.712 20 0 GFADRO O=C(CC[N@@H+]1CC[C@@H](NC(=O)NC2CC2)C1)Nc1c(Cl)cccc1Cl ZINC000544881162 564403691 /nfs/dbraw/zinc/40/36/91/564403691.db2.gz DEFVVNQEDMHJMK-GFCCVEGCSA-N 1 0 385.295 2.858 20 0 GFADRO C[C@@]1(CNC(=O)NCc2cc(Br)cc3c2OCC3)CCC[NH2+]C1 ZINC000568058674 564403755 /nfs/dbraw/zinc/40/37/55/564403755.db2.gz RXKAMZMDDHYPCM-QGZVFWFLSA-N 1 0 382.302 2.573 20 0 GFADRO CN1CC[NH2+]C[C@@H]1CNC(=O)N[C@@H](c1ccsc1)c1ccc(Cl)cc1 ZINC000568057946 564403768 /nfs/dbraw/zinc/40/37/68/564403768.db2.gz GLRPCKKTSBLXTB-IAGOWNOFSA-N 1 0 378.929 2.694 20 0 GFADRO COc1c[nH+]ccc1N1CCN(C(=O)c2cccc(Br)c2)CC1 ZINC000478489866 564404693 /nfs/dbraw/zinc/40/46/93/564404693.db2.gz OESAILQPNLMSRB-UHFFFAOYSA-N 1 0 376.254 2.815 20 0 GFADRO CC[NH+](CC)CCN(CCOC)Cc1ncc(I)s1 ZINC000568139636 564406104 /nfs/dbraw/zinc/40/61/04/564406104.db2.gz KJBGQWUZDDRYES-UHFFFAOYSA-N 1 0 397.326 2.538 20 0 GFADRO O=S(=O)(c1cccs1)N1CC[C@H](C[NH2+][C@@H]2CCc3ccccc3C2)C1 ZINC000512579565 564406129 /nfs/dbraw/zinc/40/61/29/564406129.db2.gz WANGTXAGFGSNBU-CRAIPNDOSA-N 1 0 376.547 2.906 20 0 GFADRO O=C(NC[C@H]1CCC[N@H+]1CCCO)c1cc(Cl)c(F)cc1Br ZINC000452346987 564406958 /nfs/dbraw/zinc/40/69/58/564406958.db2.gz YEVPUGYWXIJSGT-SNVBAGLBSA-N 1 0 393.684 2.818 20 0 GFADRO O=C(CSc1cccc(Br)c1)NC[C@@H]1CCC[N@H+]1CCCO ZINC000452357155 564408333 /nfs/dbraw/zinc/40/83/33/564408333.db2.gz DSPOWVULGCEJQX-AWEZNQCLSA-N 1 0 387.343 2.504 20 0 GFADRO O=C(CSc1cccc(Br)c1)NC[C@H]1CCCC[N@H+]1CCO ZINC000452370036 564409043 /nfs/dbraw/zinc/40/90/43/564409043.db2.gz FLFCQPIDSLVAQP-CQSZACIVSA-N 1 0 387.343 2.504 20 0 GFADRO C[C@@H](C(=O)NC[C@@H]1CCC[N@@H+]1CCCO)c1ccc(Br)s1 ZINC000452362825 564409328 /nfs/dbraw/zinc/40/93/28/564409328.db2.gz LLDICGWXUYUIKN-NEPJUHHUSA-N 1 0 375.332 2.577 20 0 GFADRO O=C(NC[C@H]1CCCC[N@H+]1CCO)C1(c2cc(F)cc(Br)c2)CC1 ZINC000452368779 564409370 /nfs/dbraw/zinc/40/93/70/564409370.db2.gz DAHWDAICCDLBPX-MRXNPFEDSA-N 1 0 399.304 2.583 20 0 GFADRO O=C(N[C@H]1CCC[N@@H+](CCCO)C1)C1(Cc2ccccc2Br)CC1 ZINC000452381115 564411127 /nfs/dbraw/zinc/41/11/27/564411127.db2.gz IUHGWRSFABOVGD-INIZCTEOSA-N 1 0 395.341 2.735 20 0 GFADRO O=C(NC[C@@H]1CCCC[N@H+]1CCO)c1cc(Cl)c(F)cc1Br ZINC000452380864 564411429 /nfs/dbraw/zinc/41/14/29/564411429.db2.gz UOMDTSYNJNOJFR-JTQLQIEISA-N 1 0 393.684 2.818 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)Nc2ccc(C(F)(F)F)c(Br)c2)CCO1 ZINC000568368014 564415845 /nfs/dbraw/zinc/41/58/45/564415845.db2.gz IOILDXZCMVXTGC-SECBINFHSA-N 1 0 382.180 2.659 20 0 GFADRO CO[C@H]1CCN(C(=O)c2ccn(-c3ccc(Cl)c(Cl)c3)n2)[C@@H](C[NH3+])C1 ZINC000568381277 564416755 /nfs/dbraw/zinc/41/67/55/564416755.db2.gz AAHWRKNCVRVGKU-OLZOCXBDSA-N 1 0 383.279 2.757 20 0 GFADRO CC[NH+](CC)CC[C@H](CO)NC(=O)c1cn(C)nc1-c1ccc(Cl)s1 ZINC000568409510 564417497 /nfs/dbraw/zinc/41/74/97/564417497.db2.gz KGLHHYMVRXCXJW-GFCCVEGCSA-N 1 0 384.933 2.625 20 0 GFADRO COc1ccc(C[NH2+]C[C@H](N2CCOCC2)C(F)(F)F)cc1Br ZINC000513027761 564417732 /nfs/dbraw/zinc/41/77/32/564417732.db2.gz OINLGSZLFZGSBZ-AWEZNQCLSA-N 1 0 397.235 2.810 20 0 GFADRO Cc1cc(Cl)ccc1S(=O)(=O)NCC[NH2+]Cc1cnn(CC(C)C)c1 ZINC000513011011 564417766 /nfs/dbraw/zinc/41/77/66/564417766.db2.gz APGSGTXOJUSUAA-UHFFFAOYSA-N 1 0 384.933 2.569 20 0 GFADRO CS[C@H]1CN(C(=O)COc2cccc(Br)c2)C[C@@H]1[NH+]1CCCC1 ZINC000545332574 564417864 /nfs/dbraw/zinc/41/78/64/564417864.db2.gz WAOQUMJBEGNEEL-HOTGVXAUSA-N 1 0 399.354 2.866 20 0 GFADRO CCc1nnc(NC(=O)[C@H](C)[C@@H](C)[NH2+]Cc2cc(C(F)(F)F)n[nH]2)s1 ZINC000513094373 564419506 /nfs/dbraw/zinc/41/95/06/564419506.db2.gz ICBDRGLKIGUATF-HTQZYQBOSA-N 1 0 376.408 2.595 20 0 GFADRO O=S(=O)(C1CC1)N1CCC[C@@H]([NH2+]Cc2cc(C(F)(F)F)ccc2F)C1 ZINC000513095141 564419960 /nfs/dbraw/zinc/41/99/60/564419960.db2.gz MBNOWFCGTJLFNW-CYBMUJFWSA-N 1 0 380.407 2.891 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)C(=O)NC[C@H]1CCCC[N@H+]1CC ZINC000479013328 564421350 /nfs/dbraw/zinc/42/13/50/564421350.db2.gz LFHQDQCSENJFTL-OAHLLOKOSA-N 1 0 396.329 2.941 20 0 GFADRO COc1cc(NC(=O)COC2CCC([NH3+])CC2)cc(OC)c1Br ZINC000568507928 564421965 /nfs/dbraw/zinc/42/19/65/564421965.db2.gz PIKWINWABCAWNS-UHFFFAOYSA-N 1 0 387.274 2.691 20 0 GFADRO Cc1c(C(=O)NCCC[NH2+]C2CC2)cnn1-c1cccc(Br)c1 ZINC000568512785 564422102 /nfs/dbraw/zinc/42/21/02/564422102.db2.gz KLQIUOYUQBPKGZ-UHFFFAOYSA-N 1 0 377.286 2.815 20 0 GFADRO COC(=O)c1cc(Cl)ccc1S(=O)(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000513155769 564422701 /nfs/dbraw/zinc/42/27/01/564422701.db2.gz PVSRGQBFVFNULA-BETUJISGSA-N 1 0 388.917 2.668 20 0 GFADRO O=C(Nc1ncc(Cc2cccc(Cl)c2)s1)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000479079277 564424879 /nfs/dbraw/zinc/42/48/79/564424879.db2.gz POEGKDXNAKVUJZ-INIZCTEOSA-N 1 0 376.913 2.716 20 0 GFADRO CO[C@@H](C)C[N@H+](C)[C@@H](C)C(=O)Nc1cccc(I)c1 ZINC000513247045 564425980 /nfs/dbraw/zinc/42/59/80/564425980.db2.gz IQOHPJJZWHTMFL-QWRGUYRKSA-N 1 0 376.238 2.585 20 0 GFADRO CCN(Cc1cc(Br)ccc1F)C(=O)CN1CC[NH+](CC)CC1 ZINC000513284496 564426076 /nfs/dbraw/zinc/42/60/76/564426076.db2.gz NZZFXWUVKOPJIY-UHFFFAOYSA-N 1 0 386.309 2.574 20 0 GFADRO Cn1ncc(Br)c1C(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000568714830 564431114 /nfs/dbraw/zinc/43/11/14/564431114.db2.gz CSLIOQMZBWPQBA-ZDUSSCGKSA-N 1 0 385.693 2.869 20 0 GFADRO C[C@@H](Cc1ccc(O)cc1)[NH2+]CCNS(=O)(=O)c1ccc(F)cc1Cl ZINC000513543747 564431913 /nfs/dbraw/zinc/43/19/13/564431913.db2.gz YMHYASMPRVRCTL-LBPRGKRZSA-N 1 0 386.876 2.684 20 0 GFADRO CC1=CC[N@H+](CCNC(=O)NCCOc2cccc(Br)c2)CC1 ZINC000545859865 564434413 /nfs/dbraw/zinc/43/44/13/564434413.db2.gz JSGPMVPFOKKZQS-UHFFFAOYSA-N 1 0 382.302 2.779 20 0 GFADRO Cc1nc2ccccn2c(=O)c1CC[N@@H+](C)Cc1cc(Br)cn1C ZINC000568816668 564436106 /nfs/dbraw/zinc/43/61/06/564436106.db2.gz QOIMGRGWUDCLTK-UHFFFAOYSA-N 1 0 389.297 2.778 20 0 GFADRO CN(CCC(=O)NCc1cc(Br)cc2c1OCC2)c1cc[nH+]cc1 ZINC000545908763 564436396 /nfs/dbraw/zinc/43/63/96/564436396.db2.gz UZZGKFPCEPQRFP-UHFFFAOYSA-N 1 0 390.281 2.922 20 0 GFADRO CC(=O)N1CCN(CC[NH2+][C@@H](c2ccc(Br)cc2F)C2CC2)CC1 ZINC000479365464 564437073 /nfs/dbraw/zinc/43/70/73/564437073.db2.gz VYZJTZBKUNDQLC-GOSISDBHSA-N 1 0 398.320 2.793 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc(I)ccc3Cl)C[C@@H]21 ZINC000452968263 564439623 /nfs/dbraw/zinc/43/96/23/564439623.db2.gz BCGIMOKAOPJHGR-RNCFNFMXSA-N 1 0 390.652 2.721 20 0 GFADRO CC[NH+](CC)CCOCCNC(=O)N1CCc2c(Br)cccc2C1 ZINC000546042067 564441378 /nfs/dbraw/zinc/44/13/78/564441378.db2.gz VEAZRASGXMVJES-UHFFFAOYSA-N 1 0 398.345 2.875 20 0 GFADRO C[C@@H]([NH2+]CC1(S(C)(=O)=O)CC1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000479495897 564442308 /nfs/dbraw/zinc/44/23/08/564442308.db2.gz KYQUPKQHLQJTPP-CQSZACIVSA-N 1 0 385.551 2.631 20 0 GFADRO C[C@@H]1CC[N@H+](CC(=O)NC[C@H]2CCN(c3ccc(Br)cc3)C2)C1 ZINC000568997874 564444614 /nfs/dbraw/zinc/44/46/14/564444614.db2.gz OWLNOFNBQPLKRP-HUUCEWRRSA-N 1 0 380.330 2.733 20 0 GFADRO CN(Cc1cccc(Br)c1)C(=O)NCCCC[NH+]1CCOCC1 ZINC000514106769 564446006 /nfs/dbraw/zinc/44/60/06/564446006.db2.gz BCFPXHNLRIKYKT-UHFFFAOYSA-N 1 0 384.318 2.703 20 0 GFADRO CS(=O)(=O)N1CC[C@@H](C[NH2+]C2(c3cccc(C(F)(F)F)c3)CCC2)C1 ZINC000514154271 564446424 /nfs/dbraw/zinc/44/64/24/564446424.db2.gz RLSFODVOZLIDSD-ZDUSSCGKSA-N 1 0 376.444 2.956 20 0 GFADRO CO[C@@H]1C[C@H]([NH2+]CCS(=O)(=O)c2ccc(Br)cc2)C12CCC2 ZINC000453113251 564447178 /nfs/dbraw/zinc/44/71/78/564447178.db2.gz RASXHIWLYBHBDH-LSDHHAIUSA-N 1 0 388.327 2.770 20 0 GFADRO COC1([C@@H](C)[NH2+]CC(=O)Nc2ccc(Br)cc2C)CCOCC1 ZINC000453134052 564447574 /nfs/dbraw/zinc/44/75/74/564447574.db2.gz JTPSCPBJXZATHM-CYBMUJFWSA-N 1 0 385.302 2.870 20 0 GFADRO C[C@@H]([NH2+]C[C@@H](O)C1CCOCC1)c1ccc(F)c(I)c1 ZINC000453133296 564447899 /nfs/dbraw/zinc/44/78/99/564447899.db2.gz AUFCWYQPVFXISO-MEBBXXQBSA-N 1 0 393.240 2.868 20 0 GFADRO C[C@H]([NH2+][C@H]1CCCN(C)C1=O)c1ccc(F)c(I)c1 ZINC000453132819 564448187 /nfs/dbraw/zinc/44/81/87/564448187.db2.gz MTLFHEMRCZEKQZ-ZANVPECISA-N 1 0 376.213 2.702 20 0 GFADRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N1CCc2cc(Br)ccc2C1 ZINC000479685081 564448322 /nfs/dbraw/zinc/44/83/22/564448322.db2.gz LBXHDQFUTWSTQX-SJCJKPOMSA-N 1 0 378.314 3.000 20 0 GFADRO CC[N@@H+]1C[C@@H](C)N(C(=O)c2ccc(I)c(O)c2)C[C@@H]1C ZINC000546203629 564449439 /nfs/dbraw/zinc/44/94/39/564449439.db2.gz IBBXALWIQMPFHV-WDEREUQCSA-N 1 0 388.249 2.552 20 0 GFADRO CC[C@H](CNS(C)(=O)=O)[NH2+][C@@H]1CCCOc2cc(Br)ccc21 ZINC000453274138 564452216 /nfs/dbraw/zinc/45/22/16/564452216.db2.gz CLZZXOFHAWLIFK-TZMCWYRMSA-N 1 0 391.331 2.580 20 0 GFADRO COc1cc(CNC(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)cc(Br)c1OC ZINC000514662250 564452864 /nfs/dbraw/zinc/45/28/64/564452864.db2.gz BXKRMXHPFQCSPO-CYBMUJFWSA-N 1 0 398.301 2.502 20 0 GFADRO COc1ccc(C[C@@H](CO)C[NH2+][C@@H](C)c2cnccn2)cc1Br ZINC000453340273 564453926 /nfs/dbraw/zinc/45/39/26/564453926.db2.gz BNZQORYSJVKWEO-GXTWGEPZSA-N 1 0 380.286 2.750 20 0 GFADRO CNC(=O)C[C@H](C)[NH2+][C@@H]1CCCOc2ccc(I)cc21 ZINC000453343882 564454033 /nfs/dbraw/zinc/45/40/33/564454033.db2.gz CXLATWYFZWAUPQ-GXFFZTMASA-N 1 0 388.249 2.619 20 0 GFADRO Cc1c(Br)cccc1C[C@H](CO)C[NH2+][C@@H](C)c1ccc(=O)[nH]n1 ZINC000453369896 564454773 /nfs/dbraw/zinc/45/47/73/564454773.db2.gz NKDSFUXKFGNYJJ-STQMWFEESA-N 1 0 380.286 2.755 20 0 GFADRO C[C@H](Cc1cnn(C)c1)[NH2+][C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000453360908 564455242 /nfs/dbraw/zinc/45/52/42/564455242.db2.gz UAGGECYPPAQVMC-IAQYHMDHSA-N 1 0 398.326 2.622 20 0 GFADRO OCCOC1(C[NH2+]Cc2cc3cc(Br)ccc3o2)CCOCC1 ZINC000514734999 564455718 /nfs/dbraw/zinc/45/57/18/564455718.db2.gz RQSJECKOYYYVRY-UHFFFAOYSA-N 1 0 384.270 2.843 20 0 GFADRO COc1ccc(Br)cc1C[C@H](CO)C[NH2+][C@H](C)c1ccncn1 ZINC000453393436 564455738 /nfs/dbraw/zinc/45/57/38/564455738.db2.gz ZKSRPPTZMVFDTR-OLZOCXBDSA-N 1 0 380.286 2.750 20 0 GFADRO C[C@]1(C[NH2+]C2CCN(Cc3ccccc3Br)CC2)CCC(=O)N1 ZINC000453399591 564457584 /nfs/dbraw/zinc/45/75/84/564457584.db2.gz ALYRNMASQWFHEX-GOSISDBHSA-N 1 0 380.330 2.672 20 0 GFADRO C[C@H](C[NH2+]CCS(=O)(=O)N1CCSCC1)c1ccc(C(F)(F)F)cc1 ZINC000514817582 564458013 /nfs/dbraw/zinc/45/80/13/564458013.db2.gz IBGHIYPZCVRYGG-CYBMUJFWSA-N 1 0 396.500 2.777 20 0 GFADRO Cc1cc(Br)c(C[N@@H+](C)C2CCN(S(C)(=O)=O)CC2)s1 ZINC000453574489 564458424 /nfs/dbraw/zinc/45/84/24/564458424.db2.gz JTXDFUHZRGOXOZ-UHFFFAOYSA-N 1 0 381.361 2.675 20 0 GFADRO Cc1ccc(SCC(F)(F)F)c(NC(=O)NC[C@]2(O)CC[N@@H+](C)C2)c1 ZINC000546576806 564460545 /nfs/dbraw/zinc/46/05/45/564460545.db2.gz FSVQKFXEWGRGFW-OAHLLOKOSA-N 1 0 377.432 2.838 20 0 GFADRO O=S1(=O)CC[C@H]([NH2+]C[C@H]2CCC[C@@H](O)C2)c2cc(Br)ccc21 ZINC000480197589 564463461 /nfs/dbraw/zinc/46/34/61/564463461.db2.gz LXMTWNCYHIAQMY-LNSITVRQSA-N 1 0 388.327 2.808 20 0 GFADRO CC[C@H](C)[C@H](O)C[NH2+][C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000480244722 564466224 /nfs/dbraw/zinc/46/62/24/564466224.db2.gz YORYMCYCKQSZRB-ZLKJLUDKSA-N 1 0 376.316 2.664 20 0 GFADRO O=S1(=O)CC[C@H]([NH2+]C[C@H]2CCN(C3CC3)C2)c2cc(Br)ccc21 ZINC000480272021 564467037 /nfs/dbraw/zinc/46/70/37/564467037.db2.gz BJJWYJDAOCFPLD-WBMJQRKESA-N 1 0 399.354 2.742 20 0 GFADRO O[C@H](C[NH2+]C[C@H]1CCCCN1C1CC1)COc1cccc(Br)c1 ZINC000515054866 564467991 /nfs/dbraw/zinc/46/79/91/564467991.db2.gz KCKCRJFQGWMVQL-IAGOWNOFSA-N 1 0 383.330 2.795 20 0 GFADRO C[NH+](C)CC1(CNS(=O)(=O)c2ccc(Br)cc2)CCCC1 ZINC000546780921 564468402 /nfs/dbraw/zinc/46/84/02/564468402.db2.gz CACLXBVRHWVSFM-UHFFFAOYSA-N 1 0 375.332 2.849 20 0 GFADRO COCC[NH2+]C1CCN(Cc2cnn(-c3ccc(Br)cc3)c2)CC1 ZINC000569581897 564469765 /nfs/dbraw/zinc/46/97/65/564469765.db2.gz PKKIRCWHXIVNJU-UHFFFAOYSA-N 1 0 393.329 2.835 20 0 GFADRO [NH3+][C@@H]1CCC[C@H](CNC(=O)C2CCN(C(=O)c3ccc(Cl)s3)CC2)C1 ZINC000569595068 564470312 /nfs/dbraw/zinc/47/03/12/564470312.db2.gz IXJLUEOSANVTBK-GXTWGEPZSA-N 1 0 383.945 2.887 20 0 GFADRO Cc1cc(NC(=O)C(=O)N2CC[N@@H+](C3CC3)C[C@@H](C)C2)ccc1Br ZINC000453771576 564471206 /nfs/dbraw/zinc/47/12/06/564471206.db2.gz NQTDTGWEVVSZLA-GFCCVEGCSA-N 1 0 394.313 2.639 20 0 GFADRO CC(C)(C)c1ccc(OC[C@@H](O)C[NH2+]CCn2cc(Br)cn2)cc1 ZINC000515188244 564471430 /nfs/dbraw/zinc/47/14/30/564471430.db2.gz ZXRJJTBQWDYXBP-INIZCTEOSA-N 1 0 396.329 2.973 20 0 GFADRO COCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](Cc2ccc(OC)cc2Br)C1 ZINC000569648938 564472237 /nfs/dbraw/zinc/47/22/37/564472237.db2.gz GEQIYGWHVHRMDO-DZGCQCFKSA-N 1 0 399.329 2.821 20 0 GFADRO COc1cc(C[NH2+][C@@H]2COC[C@H]2OC)cc(Br)c1OC(F)F ZINC000515300108 564475109 /nfs/dbraw/zinc/47/51/09/564475109.db2.gz FIWAFIOOVKKCET-ZYHUDNBSSA-N 1 0 382.201 2.563 20 0 GFADRO Cc1ccc(F)c(Br)c1NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000515368768 564476670 /nfs/dbraw/zinc/47/66/70/564476670.db2.gz CDGINHMVALHJCK-NEPJUHHUSA-N 1 0 398.276 2.530 20 0 GFADRO O=S(=O)(CCc1cccs1)N1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000480582004 564478341 /nfs/dbraw/zinc/47/83/41/564478341.db2.gz CPJJBVDVYPKBHL-HDICACEKSA-N 1 0 376.547 2.684 20 0 GFADRO O=C(NCCOc1cccc(Br)c1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000515405898 564478389 /nfs/dbraw/zinc/47/83/89/564478389.db2.gz MLVWPNZXKNFJQD-KRWDZBQOSA-N 1 0 382.302 2.613 20 0 GFADRO C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)NCCc2c(Cl)cccc2Cl)C1 ZINC000515439314 564479085 /nfs/dbraw/zinc/47/90/85/564479085.db2.gz ROACXOAPAJERMG-CYBMUJFWSA-N 1 0 386.323 2.500 20 0 GFADRO COc1ccc(Br)c(CC(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000569808071 564479171 /nfs/dbraw/zinc/47/91/71/564479171.db2.gz GZKVGWXBPOYOLU-ZIAGYGMSSA-N 1 0 381.314 2.848 20 0 GFADRO O=S(=O)(c1cc(Cl)ccc1OC(F)F)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000569810669 564479191 /nfs/dbraw/zinc/47/91/91/564479191.db2.gz OGUYEKILHZTJQM-RYUDHWBXSA-N 1 0 394.871 2.952 20 0 GFADRO CC1=CC[N@H+](CCNC(=O)N2CCC(n3cc(Br)cn3)CC2)CC1 ZINC000547272900 564481157 /nfs/dbraw/zinc/48/11/57/564481157.db2.gz STCQATJSAUZXEB-UHFFFAOYSA-N 1 0 396.333 2.644 20 0 GFADRO C[C@H](NC[C@@]1(O)CC[N@H+](C)C1)c1ccc(Br)cc1Br ZINC000547278365 564481168 /nfs/dbraw/zinc/48/11/68/564481168.db2.gz GMCWKSOFSJMCQM-HZMBPMFUSA-N 1 0 392.135 2.929 20 0 GFADRO C[N@@H+]1CC[C@@](O)(CNC(=O)N[C@@H](c2ccc(Br)cc2)C2CCC2)C1 ZINC000547298489 564483349 /nfs/dbraw/zinc/48/33/49/564483349.db2.gz YGRXSGZKJGSBPA-SJLPKXTDSA-N 1 0 396.329 2.656 20 0 GFADRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)N(CCn1ccnc1)Cc1ccc(Br)o1 ZINC000515644688 564484649 /nfs/dbraw/zinc/48/46/49/564484649.db2.gz HBRNUPSZLSAUPK-CHWSQXEVSA-N 1 0 398.305 2.576 20 0 GFADRO CCN(C)C(=O)C[NH2+][C@@H]1CCCOc2ccc(I)cc21 ZINC000480726082 564484771 /nfs/dbraw/zinc/48/47/71/564484771.db2.gz LBQOIDMAKPNJKS-CYBMUJFWSA-N 1 0 388.249 2.573 20 0 GFADRO FC(F)Oc1c(Br)cccc1C[NH2+][C@H]1CCc2nnnn2CC1 ZINC000515827347 564488345 /nfs/dbraw/zinc/48/83/45/564488345.db2.gz ZXAXJNYFHCAVQZ-JTQLQIEISA-N 1 0 388.216 2.532 20 0 GFADRO O=S(=O)(Cc1ccc(Cl)cc1Br)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000515844040 564488642 /nfs/dbraw/zinc/48/86/42/564488642.db2.gz KWKUKCJMLBBEKL-HZMBPMFUSA-N 1 0 393.734 2.616 20 0 GFADRO CS[C@@H]1CN(C(=O)CCC(=O)c2ccc(Cl)cn2)C[C@@H]1[NH+]1CCCC1 ZINC000547536930 564492797 /nfs/dbraw/zinc/49/27/97/564492797.db2.gz YEGXOYAMCJWDQN-DOTOQJQBSA-N 1 0 381.929 2.736 20 0 GFADRO C[C@@H](NC(=O)C[N@@H+]1CC[C@@H](c2nccn2C)C1)c1ccc(Br)cc1 ZINC000516083078 564492872 /nfs/dbraw/zinc/49/28/72/564492872.db2.gz LKFUGCXTQBNFQX-UKRRQHHQSA-N 1 0 391.313 2.849 20 0 GFADRO C[C@H](CNS(=O)(=O)c1ccc(OC(F)F)c(F)c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000570154474 564493413 /nfs/dbraw/zinc/49/34/13/564493413.db2.gz AQIOUKUQSMPHKA-VXGBXAGGSA-N 1 0 380.432 2.826 20 0 GFADRO Cc1ccc(Br)c(NC(=O)C(=O)NCC[N@@H+]2CCCC2(C)C)c1 ZINC000454064264 564495319 /nfs/dbraw/zinc/49/53/19/564495319.db2.gz CGRXZLGRTQOQEJ-UHFFFAOYSA-N 1 0 382.302 2.687 20 0 GFADRO CC[C@H]1[NH2+]CC[C@H]1C(=O)N1CCN(C(=O)c2cc3sccc3s2)CC1 ZINC000570208299 564496183 /nfs/dbraw/zinc/49/61/83/564496183.db2.gz XJKAGCKOZKWTQW-CHWSQXEVSA-N 1 0 377.535 2.635 20 0 GFADRO Cc1cc(NC(=O)C(=O)NCCCC[N@@H+](C)C2CC2)ccc1Br ZINC000454087812 564497062 /nfs/dbraw/zinc/49/70/62/564497062.db2.gz FTNFRTVQIYPUDJ-UHFFFAOYSA-N 1 0 382.302 2.687 20 0 GFADRO Cc1ccc(Br)c(S(=O)(=O)NCC[NH2+][C@@H](C)C2CCC2)c1 ZINC000516481625 564502762 /nfs/dbraw/zinc/50/27/62/564502762.db2.gz HTTKQIRKAZBVDI-LBPRGKRZSA-N 1 0 375.332 2.814 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)c1ccc(I)cn1)c1ccccc1 ZINC000454247153 564503964 /nfs/dbraw/zinc/50/39/64/564503964.db2.gz UIFAZFXHZQTYPC-OAHLLOKOSA-N 1 0 395.244 2.719 20 0 GFADRO C[C@@H](NCCC[NH+]1CCC(O)CC1)c1ccccc1I ZINC000481175369 564504733 /nfs/dbraw/zinc/50/47/33/564504733.db2.gz PVWOQOUOCGVSKW-CYBMUJFWSA-N 1 0 388.293 2.789 20 0 GFADRO C[C@H](NS(=O)(=O)Cc1cc(Cl)ccc1Br)[C@H]1CCC[NH2+]C1 ZINC000516768964 564511345 /nfs/dbraw/zinc/51/13/45/564511345.db2.gz JSKJQDIPSWWOAQ-QWRGUYRKSA-N 1 0 395.750 2.910 20 0 GFADRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)NCc1nn(C)cc1Br ZINC000454475447 564511641 /nfs/dbraw/zinc/51/16/41/564511641.db2.gz GYBBQYDXZJQDMM-CYBMUJFWSA-N 1 0 386.338 2.636 20 0 GFADRO COC(=O)C[C@H](NC(=O)C[C@H]1CCC[NH2+]C1)c1ccc(Br)cc1 ZINC000516784053 564512337 /nfs/dbraw/zinc/51/23/37/564512337.db2.gz IOWLPYCDMVMVSY-DOMZBBRYSA-N 1 0 383.286 2.559 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(C(=O)NCC3(c4cccc(Br)c4)CC3)C[C@@H]21 ZINC000454511498 564512565 /nfs/dbraw/zinc/51/25/65/564512565.db2.gz JDHVUXVRPTVEGF-CJNGLKHVSA-N 1 0 378.314 2.826 20 0 GFADRO O=S(=O)(c1cc(Cl)ccc1OC(F)F)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000516860561 564514049 /nfs/dbraw/zinc/51/40/49/564514049.db2.gz TUGZIEKNOOYDJJ-GFCCVEGCSA-N 1 0 380.844 2.800 20 0 GFADRO C/C=C\C[C@H](CO)[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000570683583 564516950 /nfs/dbraw/zinc/51/69/50/564516950.db2.gz WQWCQPVXWPFDMY-LLGAQUFESA-N 1 0 378.694 2.759 20 0 GFADRO O=C1C[C@@H](C[NH2+]Cc2cn(-c3ccc(Cl)c(Cl)c3)nn2)CN1C1CC1 ZINC000570689315 564517414 /nfs/dbraw/zinc/51/74/14/564517414.db2.gz LKJAUNYLRDWVHV-NSHDSACASA-N 1 0 380.279 2.675 20 0 GFADRO O[C@@H](C[NH2+]CC1(c2cccc(Br)c2)CC1)COC1CCOCC1 ZINC000516966141 564518680 /nfs/dbraw/zinc/51/86/80/564518680.db2.gz XAAWMAPFFPABKN-INIZCTEOSA-N 1 0 384.314 2.627 20 0 GFADRO COCCN(CC[NH+](C)C)C(=O)Nc1nc(Sc2ccccc2)ns1 ZINC000570761530 564519733 /nfs/dbraw/zinc/51/97/33/564519733.db2.gz NXYRQMPFBRRFGS-UHFFFAOYSA-N 1 0 381.527 2.731 20 0 GFADRO C[C@@H](CNC(=O)N[C@@H](C)c1nc(-c2ccc(Br)cc2)no1)[NH+](C)C ZINC000454696219 564519937 /nfs/dbraw/zinc/51/99/37/564519937.db2.gz RJIWGINKHJMVGL-QWRGUYRKSA-N 1 0 396.289 2.809 20 0 GFADRO C[C@H](NC(=O)C(=O)N1CCC[C@H](C[NH3+])C1)c1cc(F)c(Cl)cc1Cl ZINC000517019946 564521614 /nfs/dbraw/zinc/52/16/14/564521614.db2.gz DKWNORIEYDFPBO-VHSXEESVSA-N 1 0 376.259 2.507 20 0 GFADRO C[C@H](NC(=O)C(=O)N1CCC[C@@H](C[NH3+])C1)c1cc(F)c(Cl)cc1Cl ZINC000517019945 564521922 /nfs/dbraw/zinc/52/19/22/564521922.db2.gz DKWNORIEYDFPBO-UWVGGRQHSA-N 1 0 376.259 2.507 20 0 GFADRO CCS(=O)(=O)c1ccc(C[NH2+]C[C@@H](O)COc2cc(C)cc(C)c2)s1 ZINC000570836640 564523110 /nfs/dbraw/zinc/52/31/10/564523110.db2.gz JQGUPQQKQKOHCU-OAHLLOKOSA-N 1 0 383.535 2.688 20 0 GFADRO C[NH+](C)C1(CNC(=O)C(=O)NCc2c(Cl)cccc2Cl)CCCCC1 ZINC000570821449 564523622 /nfs/dbraw/zinc/52/36/22/564523622.db2.gz FADJBOREIKIERP-UHFFFAOYSA-N 1 0 386.323 2.990 20 0 GFADRO CC(C)(C)[C@H]([NH3+])C(=O)NCc1ccc(I)c(Cl)c1 ZINC000517148130 564525530 /nfs/dbraw/zinc/52/55/30/564525530.db2.gz CZXWYUUJBXQZHM-LLVKDONJSA-N 1 0 380.657 2.934 20 0 GFADRO CC[C@@H](Cc1ccccc1Br)[N@H+](C)CCN1CCCS1(=O)=O ZINC000481843854 564525990 /nfs/dbraw/zinc/52/59/90/564525990.db2.gz FIXZRDYEPPCUAU-HNNXBMFYSA-N 1 0 389.359 2.738 20 0 GFADRO C[C@@H](CNC(=O)NCc1ccc(Cl)cc1I)[NH+](C)C ZINC000454885560 564525978 /nfs/dbraw/zinc/52/59/78/564525978.db2.gz GENPMSDTASXXIE-VIFPVBQESA-N 1 0 395.672 2.694 20 0 GFADRO C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@@H]1CCn2ccnc2C1 ZINC000547979826 564526329 /nfs/dbraw/zinc/52/63/29/564526329.db2.gz QBVMGGIEYZVVAV-SWLSCSKDSA-N 1 0 377.286 2.967 20 0 GFADRO CC1(C)C[NH2+]CC[C@H]1NC(=O)c1c(F)cccc1I ZINC000570913277 564527331 /nfs/dbraw/zinc/52/73/31/564527331.db2.gz RGOYGOKWGROOSQ-LLVKDONJSA-N 1 0 376.213 2.548 20 0 GFADRO CO[C@H]1CCN(C(=O)Nc2cc(-c3ccc(Cl)s3)nn2C)[C@@H](C[NH3+])C1 ZINC000570909014 564527392 /nfs/dbraw/zinc/52/73/92/564527392.db2.gz AOMPTKPEOTWBAT-MNOVXSKESA-N 1 0 383.905 2.772 20 0 GFADRO COc1cc2[nH+]ccc(N[C@@H]3C[C@@H]4CCCCN4C3=O)c2cc1Br ZINC000570922887 564527967 /nfs/dbraw/zinc/52/79/67/564527967.db2.gz RZAANEZMJKRGBV-MEDUHNTESA-N 1 0 390.281 2.993 20 0 GFADRO C[NH+](C)CCn1ccc(C(=O)NCc2ccc(Br)cc2Cl)n1 ZINC000570939891 564528924 /nfs/dbraw/zinc/52/89/24/564528924.db2.gz NVFMETKGLMJNMW-UHFFFAOYSA-N 1 0 385.693 2.791 20 0 GFADRO [NH3+][C@H]1CCC[C@@H](CNS(=O)(=O)c2cccc(Br)c2Cl)C1 ZINC000517235506 564529067 /nfs/dbraw/zinc/52/90/67/564529067.db2.gz KJQKDAWXLFAHFI-ZJUUUORDSA-N 1 0 381.723 2.898 20 0 GFADRO O=C(CNC(=O)c1sc2ccccc2c1Cl)NCC[C@H]1CCC[NH2+]C1 ZINC000570961893 564529665 /nfs/dbraw/zinc/52/96/65/564529665.db2.gz DMJNSBUJCBZSLV-GFCCVEGCSA-N 1 0 379.913 2.790 20 0 GFADRO COC(=O)CC1([NH2+]C[C@@H](O)COc2ccc(Br)cc2)CCCC1 ZINC000548099360 564531020 /nfs/dbraw/zinc/53/10/20/564531020.db2.gz BICSDXIOIHFMKE-CQSZACIVSA-N 1 0 386.286 2.654 20 0 GFADRO O=C(NCCOc1ccc(Cl)c(Cl)c1)NC[C@H]1CN(C2CC2)CCO1 ZINC000454997358 564531075 /nfs/dbraw/zinc/53/10/75/564531075.db2.gz SOFGVKLODSWSBP-AWEZNQCLSA-N 1 0 388.295 2.535 20 0 GFADRO CCS(=O)(=O)c1c(Cl)cccc1CN1CCC(OCC[NH+](C)C)CC1 ZINC000482008916 564531481 /nfs/dbraw/zinc/53/14/81/564531481.db2.gz NTBWMUVMWBQYGZ-UHFFFAOYSA-N 1 0 388.961 2.676 20 0 GFADRO C[C@H](NC(=O)NCCCCC[NH+]1CCCC1)c1ncc(Br)cn1 ZINC000455003848 564532094 /nfs/dbraw/zinc/53/20/94/564532094.db2.gz UBDMHTNLWIAIMK-ZDUSSCGKSA-N 1 0 384.322 2.865 20 0 GFADRO O=C(NCCc1c[nH]c2cc(Cl)cc(Cl)c12)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000482053585 564532472 /nfs/dbraw/zinc/53/24/72/564532472.db2.gz JHRSUQDVTZRPBP-MRXNPFEDSA-N 1 0 381.307 2.523 20 0 GFADRO COCC[N@@H+]1CC[C@H](NC(=O)c2ccc(Br)cc2OC(C)C)C1 ZINC000517407059 564532762 /nfs/dbraw/zinc/53/27/62/564532762.db2.gz OXOYRMGDXJXABE-AWEZNQCLSA-N 1 0 385.302 2.687 20 0 GFADRO C[NH+](C)CCn1ccc(C(=O)N[C@@H](CCO)c2ccc(Cl)c(Cl)c2)n1 ZINC000571060097 564534287 /nfs/dbraw/zinc/53/42/87/564534287.db2.gz ZYACYAZXORORQE-HNNXBMFYSA-N 1 0 385.295 2.605 20 0 GFADRO Cc1cc(F)c(NC(=O)NC[C@H](C)[NH+](C)C)c(I)c1 ZINC000455075919 564535344 /nfs/dbraw/zinc/53/53/44/564535344.db2.gz GAHXNJOACQZZBF-VIFPVBQESA-N 1 0 379.217 2.810 20 0 GFADRO O=S(=O)(CC[NH2+]CC1CCSCC1)c1cccc(Br)c1 ZINC000571158495 564538349 /nfs/dbraw/zinc/53/83/49/564538349.db2.gz KOOJMWHFFALHSL-UHFFFAOYSA-N 1 0 378.357 2.956 20 0 GFADRO O=S(=O)(NCCCCC[NH+]1CCCCC1)c1cncc(Br)c1 ZINC000517707146 564540411 /nfs/dbraw/zinc/54/04/11/564540411.db2.gz KSKUVMQUEPNNGN-UHFFFAOYSA-N 1 0 390.347 2.779 20 0 GFADRO Cc1cc(NC(=O)N2C[C@@H](C)N(CCO)[C@@H](C)C2)cc(C)c1Br ZINC000455266522 564545977 /nfs/dbraw/zinc/54/59/77/564545977.db2.gz HBDSNNULRXCFAD-OKILXGFUSA-N 1 0 384.318 2.985 20 0 GFADRO CO[C@H]1CCN(C(=O)c2cc3c(cc(Br)cc3F)[nH]2)[C@@H](C[NH3+])C1 ZINC000571341711 564547420 /nfs/dbraw/zinc/54/74/20/564547420.db2.gz VIQSNYKZXQRHMA-MNOVXSKESA-N 1 0 384.249 2.648 20 0 GFADRO O=C(Cc1cn2ccsc2n1)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000482737988 564548844 /nfs/dbraw/zinc/54/88/44/564548844.db2.gz UFHXZNKZKJITMD-UHFFFAOYSA-N 1 0 378.567 2.806 20 0 GFADRO Cc1sc2nc(C)nc(SCC(=O)N3CC[C@]4(CC[NH2+]C4)C3)c2c1C ZINC000571400991 564549901 /nfs/dbraw/zinc/54/99/01/564549901.db2.gz JREKWWQZLVDERE-SFHVURJKSA-N 1 0 376.551 2.921 20 0 GFADRO O=C(c1ccc(Cl)s1)N1CCC(C(=O)N2CCC3(CC[NH2+]3)CC2)CC1 ZINC000571442296 564551886 /nfs/dbraw/zinc/55/18/86/564551886.db2.gz YXJRFNYXRBINDX-UHFFFAOYSA-N 1 0 381.929 2.608 20 0 GFADRO CN(C)C(=O)CCN1CCC([NH2+][C@H]2CCc3cc(Br)ccc32)CC1 ZINC000482889963 564552394 /nfs/dbraw/zinc/55/23/94/564552394.db2.gz MQECNKODDWSXOW-SFHVURJKSA-N 1 0 394.357 2.969 20 0 GFADRO CC(C)[C@@](C)(C[NH3+])NC(=O)Nc1ccc(I)cc1F ZINC000571464545 564552966 /nfs/dbraw/zinc/55/29/66/564552966.db2.gz XOZRJFWVLXKRKO-CYBMUJFWSA-N 1 0 379.217 2.925 20 0 GFADRO O[C@H](C[NH2+][C@@H]1CSc2ccc(Br)cc21)COC1CCOCC1 ZINC000571515889 564554285 /nfs/dbraw/zinc/55/42/85/564554285.db2.gz DHDYULIQVFDKKF-IUODEOHRSA-N 1 0 388.327 2.742 20 0 GFADRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)CCC[S@@](=O)c2ccc(Br)cc2)C1 ZINC000571510346 564554466 /nfs/dbraw/zinc/55/44/66/564554466.db2.gz HBOSIURQYJGMIL-MZOGBMEOSA-N 1 0 387.343 2.581 20 0 GFADRO CC[N@H+](CCNC(=O)N(C)[C@H]1CS(=O)(=O)c2ccc(Cl)cc21)C(C)C ZINC000482996535 564555471 /nfs/dbraw/zinc/55/54/71/564555471.db2.gz NZQKKGSEIZEYQT-HNNXBMFYSA-N 1 0 387.933 2.540 20 0 GFADRO O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)N[C@H]1CCc2sc(Cl)cc21 ZINC000571538653 564556020 /nfs/dbraw/zinc/55/60/20/564556020.db2.gz GUXBKPQVBOJSBK-JQWIXIFHSA-N 1 0 396.866 2.524 20 0 GFADRO COCCN(Cc1cc(Br)cs1)C(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000571557858 564556577 /nfs/dbraw/zinc/55/65/77/564556577.db2.gz LCQOMFUQGFICPK-MNOVXSKESA-N 1 0 378.336 2.794 20 0 GFADRO O=S(=O)(NCC[NH+]1CCCCCC1)c1cccc(Br)c1F ZINC000571559070 564556878 /nfs/dbraw/zinc/55/68/78/564556878.db2.gz UTVFPTCVTPQTLV-UHFFFAOYSA-N 1 0 379.295 2.743 20 0 GFADRO O=C(Nc1ccc(Br)cc1F)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000518622164 564557921 /nfs/dbraw/zinc/55/79/21/564557921.db2.gz JAQALZCRMKDBOC-ZDUSSCGKSA-N 1 0 398.276 2.614 20 0 GFADRO O[C@@H](COc1ccc(Br)cc1)CN1CC[C@H]([NH+]2CCCCC2)C1 ZINC000518627357 564558927 /nfs/dbraw/zinc/55/89/27/564558927.db2.gz PBQHASNWNMKMQZ-DLBZAZTESA-N 1 0 383.330 2.749 20 0 GFADRO O=S(=O)(c1cc(F)ccc1OC(F)F)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000571632411 564560121 /nfs/dbraw/zinc/56/01/21/564560121.db2.gz DOAPSMBTPCBLEX-WCQYABFASA-N 1 0 378.416 2.580 20 0 GFADRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)Nc1ccc(Br)c(C2CC2)n1 ZINC000455620130 564560371 /nfs/dbraw/zinc/56/03/71/564560371.db2.gz IOJBHHVHJRSHBD-CYBMUJFWSA-N 1 0 397.317 2.690 20 0 GFADRO CC(C)[N@H+](C)CCCNC(=O)[C@@H]1CCN(c2ccccc2Br)C1=O ZINC000518749941 564561565 /nfs/dbraw/zinc/56/15/65/564561565.db2.gz PRBKSSQAQHSVDW-AWEZNQCLSA-N 1 0 396.329 2.649 20 0 GFADRO O=S1(=O)CCC(C[NH2+][C@H](CO)c2ccc(Cl)cc2C(F)(F)F)CC1 ZINC000483256417 564561571 /nfs/dbraw/zinc/56/15/71/564561571.db2.gz DUILMRSGJQSVJJ-CQSZACIVSA-N 1 0 385.835 2.807 20 0 GFADRO O=C(CCOC1C[NH2+]C1)Nc1ncc(Cc2ccc(Br)cc2)s1 ZINC000571670073 564561946 /nfs/dbraw/zinc/56/19/46/564561946.db2.gz NPEWMABMLPQVFT-UHFFFAOYSA-N 1 0 396.310 2.813 20 0 GFADRO COc1cc(C(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)cc(Br)c1OC ZINC000518769222 564562019 /nfs/dbraw/zinc/56/20/19/564562019.db2.gz HMOABPOSBAKULQ-GXTWGEPZSA-N 1 0 383.286 2.584 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1CCC(=O)NCCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000518781616 564562063 /nfs/dbraw/zinc/56/20/63/564562063.db2.gz OLZYGYCNOKZABE-OAHLLOKOSA-N 1 0 386.945 2.885 20 0 GFADRO O=C(c1ccc(I)cn1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000455638841 564562257 /nfs/dbraw/zinc/56/22/57/564562257.db2.gz LQVHSZJHTDRRHC-UHFFFAOYSA-N 1 0 399.276 2.634 20 0 GFADRO CN1CC[NH+](CCCCNC(=O)CCOc2cccc(Cl)c2Cl)CC1 ZINC000518806473 564562925 /nfs/dbraw/zinc/56/29/25/564562925.db2.gz WRMBQBIZKQPBGX-UHFFFAOYSA-N 1 0 388.339 2.906 20 0 GFADRO Cc1ccc(F)c(Br)c1NC(=O)NC[C@H]1CCC[N@@H+]1CCCO ZINC000455688057 564564474 /nfs/dbraw/zinc/56/44/74/564564474.db2.gz AXHZKCGQSZLWQT-GFCCVEGCSA-N 1 0 388.281 2.865 20 0 GFADRO C[C@@H]([NH2+]CC[C@H]1CCNC1=O)c1nc(-c2ccc(Br)cc2)no1 ZINC000571773066 564566589 /nfs/dbraw/zinc/56/65/89/564566589.db2.gz YBWIGARYYHFKFD-PWSUYJOCSA-N 1 0 379.258 2.676 20 0 GFADRO COCC[NH2+]C1CCN(C(=O)N[C@H](C)c2ccc(Br)s2)CC1 ZINC000571810604 564567899 /nfs/dbraw/zinc/56/78/99/564567899.db2.gz FSVXVWWWBOQEOL-LLVKDONJSA-N 1 0 390.347 2.982 20 0 GFADRO COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)NCC[N@@H+]1CCCC[C@H]1C ZINC000483464736 564568171 /nfs/dbraw/zinc/56/81/71/564568171.db2.gz SGTJWOXMDOQDMI-LLVKDONJSA-N 1 0 388.295 2.931 20 0 GFADRO COCC[N@H+](C)CCCNC(=O)Nc1c(C)ccc(F)c1Br ZINC000455751417 564568846 /nfs/dbraw/zinc/56/88/46/564568846.db2.gz NEBGHECJOVZQIC-UHFFFAOYSA-N 1 0 376.270 2.986 20 0 GFADRO COC(=O)CNC(=O)CC[N@@H+](Cc1ccccc1Br)CC(C)C ZINC000483531434 564569445 /nfs/dbraw/zinc/56/94/45/564569445.db2.gz LJZHAEPYDWDCSX-UHFFFAOYSA-N 1 0 385.302 2.586 20 0 GFADRO CC(C)(C[NH2+]C[C@H](O)COc1c(Cl)cccc1Cl)C1(O)CCOCC1 ZINC000571875457 564570746 /nfs/dbraw/zinc/57/07/46/564570746.db2.gz PYQRGMRGOZLNOE-ZDUSSCGKSA-N 1 0 392.323 2.890 20 0 GFADRO COc1cccc(CC[NH2+][C@@H](C(N)=O)c2ccc(Br)cc2)c1OC ZINC000519225911 564572320 /nfs/dbraw/zinc/57/23/20/564572320.db2.gz RHIVCLWDTSXODV-MRXNPFEDSA-N 1 0 393.281 2.825 20 0 GFADRO COC[C@H](C)OC[C@@H](O)C[NH2+][C@@H](C)Cc1cc(Br)ccc1F ZINC000571994059 564576408 /nfs/dbraw/zinc/57/64/08/564576408.db2.gz KXGYQORZGFNSSO-HUBLWGQQSA-N 1 0 378.282 2.521 20 0 GFADRO Cc1ccc(-c2csc(NC(=O)C(=O)NCC[N@H+]3CC[C@H](C)C3)n2)s1 ZINC000548815638 564576494 /nfs/dbraw/zinc/57/64/94/564576494.db2.gz CWPBPVWTTXXRIF-NSHDSACASA-N 1 0 378.523 2.577 20 0 GFADRO CC(C)C[C@@H]([NH3+])c1noc(-c2cc(Cn3cc(Br)cn3)on2)n1 ZINC000571999833 564577300 /nfs/dbraw/zinc/57/73/00/564577300.db2.gz AVJUSNPYEDKKEK-LLVKDONJSA-N 1 0 381.234 2.778 20 0 GFADRO O=C(NC1CC[NH+](C2CCCC2)CC1)c1ccc(I)cn1 ZINC000455871940 564577721 /nfs/dbraw/zinc/57/77/21/564577721.db2.gz VMHIKILWGORUAF-UHFFFAOYSA-N 1 0 399.276 2.823 20 0 GFADRO COc1cccc(C[NH2+]C[C@@H](O)COc2ccc(Br)cc2)c1OC ZINC000548926529 564581118 /nfs/dbraw/zinc/58/11/18/564581118.db2.gz WSGJCESQTZNTLB-OAHLLOKOSA-N 1 0 396.281 2.996 20 0 GFADRO [NH3+][C@H]1CCc2ncc(NC(=O)c3ccc(I)cc3)cc2C1 ZINC000519542545 564581066 /nfs/dbraw/zinc/58/10/66/564581066.db2.gz UFWAOXLGVMESME-ZDUSSCGKSA-N 1 0 393.228 2.755 20 0 GFADRO C[N@@H+](Cc1ccc(Br)cc1Cl)C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000548936374 564581438 /nfs/dbraw/zinc/58/14/38/564581438.db2.gz QKIPKZHYOCLWAJ-LLVKDONJSA-N 1 0 395.750 2.816 20 0 GFADRO C[C@@H](NC(=O)NCc1nn(C)cc1Br)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000519584757 564582362 /nfs/dbraw/zinc/58/23/62/564582362.db2.gz LVTIMZKHKGVXDP-CHWSQXEVSA-N 1 0 398.349 2.635 20 0 GFADRO O=C(N[C@H](CO)c1ccc(Br)c(F)c1)C1CC[NH+](C2CC2)CC1 ZINC000572146760 564583827 /nfs/dbraw/zinc/58/38/27/564583827.db2.gz CMVZUXUQAOAPTM-MRXNPFEDSA-N 1 0 385.277 2.612 20 0 GFADRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000456028137 564584582 /nfs/dbraw/zinc/58/45/82/564584582.db2.gz SCEQPZOOVHPDSD-RRQGHBQHSA-N 1 0 395.341 2.856 20 0 GFADRO CC(C)c1ccc(Cl)c(S(=O)(=O)N(C)CCC[N@H+](C)CCN(C)C)c1 ZINC000572277456 564587783 /nfs/dbraw/zinc/58/77/83/564587783.db2.gz RGEGXLXXIUFLMP-UHFFFAOYSA-N 1 0 389.993 2.967 20 0 GFADRO C[N@H+](CC(=O)N1CCOc2ccc(Br)cc2C1)[C@@H]1CCSC1 ZINC000549188332 564587975 /nfs/dbraw/zinc/58/79/75/564587975.db2.gz LHODVGBHRACRCW-CQSZACIVSA-N 1 0 385.327 2.607 20 0 GFADRO CCC[N@H+](CC)C[C@@H](C)NC(=O)C(=O)Nc1ccc(Br)c(C)c1 ZINC000572294628 564588894 /nfs/dbraw/zinc/58/88/94/564588894.db2.gz XBSQZEPHGCYOKC-CYBMUJFWSA-N 1 0 384.318 2.933 20 0 GFADRO C[C@@H](CCNS(=O)(=O)c1ccccc1)[NH2+]Cc1cncc(Br)c1 ZINC000549266078 564590544 /nfs/dbraw/zinc/59/05/44/564590544.db2.gz WMKHKZXPGCYVBY-ZDUSSCGKSA-N 1 0 398.326 2.691 20 0 GFADRO O=C1C[C@@H](C[NH2+]Cc2cc(Br)c3c(c2)OCCCO3)CN1C1CC1 ZINC000572369558 564592037 /nfs/dbraw/zinc/59/20/37/564592037.db2.gz KYXQPXCNDULTKK-ZDUSSCGKSA-N 1 0 395.297 2.711 20 0 GFADRO CCO[C@@H]1COCC[C@H]1[NH2+][C@@H](C)C(=O)N(C)Cc1ccc(Br)cc1 ZINC000484636702 564592626 /nfs/dbraw/zinc/59/26/26/564592626.db2.gz CFOHSGJAIZBGER-IAOVAPTHSA-N 1 0 399.329 2.580 20 0 GFADRO COCC[N@H+](C)C[C@H](O)Cn1cc(Br)c(-c2ccc(C)cc2)n1 ZINC000519835004 564593345 /nfs/dbraw/zinc/59/33/45/564593345.db2.gz NOJYGTIPAFRZDR-HNNXBMFYSA-N 1 0 382.302 2.560 20 0 GFADRO CCO[C@@H]1COCC[C@@H]1[NH2+][C@H](C)C(=O)N(C)Cc1ccc(Br)cc1 ZINC000484636706 564593800 /nfs/dbraw/zinc/59/38/00/564593800.db2.gz CFOHSGJAIZBGER-XOKHGSTOSA-N 1 0 399.329 2.580 20 0 GFADRO C[C@@H]1CN(C(=O)CCOc2cccc(Cl)c2Cl)C[C@H](C)[N@H+]1CCO ZINC000456218322 564595634 /nfs/dbraw/zinc/59/56/34/564595634.db2.gz ZIXWEHFAENMAQN-BETUJISGSA-N 1 0 375.296 2.676 20 0 GFADRO C[C@@H](CO)CCC[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000572475377 564596265 /nfs/dbraw/zinc/59/62/65/564596265.db2.gz APIYOEGADMQIPC-DGCLKSJQSA-N 1 0 380.710 2.840 20 0 GFADRO CC1CC[NH+](CCCCNS(=O)(=O)c2cncc(Br)c2)CC1 ZINC000520123839 564597252 /nfs/dbraw/zinc/59/72/52/564597252.db2.gz BIHAKBFOLABKRL-UHFFFAOYSA-N 1 0 390.347 2.635 20 0 GFADRO CC[NH+](CC)CCS(=O)(=O)NCCC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000549545599 564598004 /nfs/dbraw/zinc/59/80/04/564598004.db2.gz QVBYLIOALUEIEA-UHFFFAOYSA-N 1 0 396.340 2.583 20 0 GFADRO C[C@H](C[NH+]1CCOCC1)C(=O)N[C@H]1CCc2c1ccc(F)c2Br ZINC000456280917 564598651 /nfs/dbraw/zinc/59/86/51/564598651.db2.gz UOPUBGXFNYXNNI-ABAIWWIYSA-N 1 0 385.277 2.660 20 0 GFADRO C[C@@H]1C[C@H](C(=O)Nc2cc(Br)ccc2N2CC[N@H+](C)C[C@H]2C)CO1 ZINC000456354932 564601509 /nfs/dbraw/zinc/60/15/09/564601509.db2.gz BPXRJCOZKZVPFX-MCIONIFRSA-N 1 0 396.329 2.953 20 0 GFADRO C[C@H]1C[N@H+](C)CCN1c1ccc(Br)cc1NC(=O)c1csnn1 ZINC000456363783 564602336 /nfs/dbraw/zinc/60/23/36/564602336.db2.gz FYKWRUOCLKAYHP-JTQLQIEISA-N 1 0 396.314 2.693 20 0 GFADRO CC(=O)CCC(=O)Nc1cc(Br)ccc1N1CC[N@@H+](C)C[C@H]1C ZINC000456364544 564602379 /nfs/dbraw/zinc/60/23/79/564602379.db2.gz GYEYTVWOCNFMTF-GFCCVEGCSA-N 1 0 382.302 2.897 20 0 GFADRO C[C@@H]1OCC[C@@H]1C(=O)Nc1cc(Br)ccc1N1CC[N@H+](C)C[C@@H]1C ZINC000456369241 564603829 /nfs/dbraw/zinc/60/38/29/564603829.db2.gz LQSUKVAQZOFANY-YDHLFZDLSA-N 1 0 396.329 2.953 20 0 GFADRO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)Nc1ccccc1Br ZINC000572662965 564604381 /nfs/dbraw/zinc/60/43/81/564604381.db2.gz BIFVYZUPDHUDJB-CYBMUJFWSA-N 1 0 382.302 2.624 20 0 GFADRO C[C@@H](CCNC(=O)C(=O)NCc1ccc(Cl)cc1Cl)[NH+]1CCCCC1 ZINC000549907382 564607714 /nfs/dbraw/zinc/60/77/14/564607714.db2.gz FNGLWZQNJTXEMI-ZDUSSCGKSA-N 1 0 386.323 2.990 20 0 GFADRO C[NH+](C)[C@H]1CN(Cc2c(-c3ccc(Cl)cc3)nc3sccn23)C[C@@H]1O ZINC000572732417 564607961 /nfs/dbraw/zinc/60/79/61/564607961.db2.gz BZMKXLUGCOPJPZ-HOCLYGCPSA-N 1 0 376.913 2.823 20 0 GFADRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccccc2S(=O)(=O)NC(C)(C)C)[C@@H]1SC ZINC000485213360 564609959 /nfs/dbraw/zinc/60/99/59/564609959.db2.gz RZSWCAQFAVNPHE-INMHGKMJSA-N 1 0 386.583 2.762 20 0 GFADRO COc1ccc(S(=O)(=O)N2CC([NH2+]CCc3ccc(Cl)cc3)C2)cc1 ZINC000485241026 564610919 /nfs/dbraw/zinc/61/09/19/564610919.db2.gz PEOXYARDWNGZHW-UHFFFAOYSA-N 1 0 380.897 2.554 20 0 GFADRO C[C@@H](NC(=O)C(=O)NCCC[NH+]1CCCCC1)c1ccc(Br)cc1 ZINC000549966534 564611963 /nfs/dbraw/zinc/61/19/63/564611963.db2.gz YBHNLWWNZBTCAF-CQSZACIVSA-N 1 0 396.329 2.619 20 0 GFADRO COCC[N@@H+]1CC[C@@H](NC(=O)c2cc3c(cc(Br)cc3F)[nH]2)C1 ZINC000520767391 564612111 /nfs/dbraw/zinc/61/21/11/564612111.db2.gz ONMHDSGBEKLCGS-LLVKDONJSA-N 1 0 384.249 2.520 20 0 GFADRO Cn1ncc(Cl)c1S(=O)(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000485435103 564615835 /nfs/dbraw/zinc/61/58/35/564615835.db2.gz GGWLHLILWRYQED-UHFFFAOYSA-N 1 0 382.917 2.538 20 0 GFADRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)NCc1ccc(Cl)cc1Cl ZINC000550304259 564619948 /nfs/dbraw/zinc/61/99/48/564619948.db2.gz YBEZNDDQGCFOTJ-OAHLLOKOSA-N 1 0 386.323 2.990 20 0 GFADRO O=C(CC1CCCC1)NCC[NH2+]Cc1cn2ccc(Br)cc2n1 ZINC000573048020 564620742 /nfs/dbraw/zinc/62/07/42/564620742.db2.gz KZHRHGZDUIGGBJ-UHFFFAOYSA-N 1 0 379.302 2.883 20 0 GFADRO CCCC[N@H+](C)C[C@H](C)NC(=O)c1ccc(Br)cc1-n1cncn1 ZINC000521312435 564623911 /nfs/dbraw/zinc/62/39/11/564623911.db2.gz YYFJQHSRVMSFIV-ZDUSSCGKSA-N 1 0 394.317 2.880 20 0 GFADRO O=C(N[C@@H]1CCc2c1cccc2Br)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000485775583 564625302 /nfs/dbraw/zinc/62/53/02/564625302.db2.gz MKJLVSUNTLKSKB-IINYFYTJSA-N 1 0 375.270 2.666 20 0 GFADRO C[C@H](NC(=O)N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1)c1ncc(Br)cn1 ZINC000521362533 564625412 /nfs/dbraw/zinc/62/54/12/564625412.db2.gz HNTZOADRZPPKEY-GUTXKFCHSA-N 1 0 396.333 2.864 20 0 GFADRO C[C@H](Cc1ccc(Br)cc1)NC(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000485793760 564625965 /nfs/dbraw/zinc/62/59/65/564625965.db2.gz XLVGIEFMPQYCPL-YPMHNXCESA-N 1 0 377.286 2.610 20 0 GFADRO NC(=O)c1cccc(CC[NH2+]C[C@H](O)COc2ccc(Cl)cc2Cl)c1 ZINC000521426616 564626665 /nfs/dbraw/zinc/62/66/65/564626665.db2.gz JOKIYFVKJCKEFW-HNNXBMFYSA-N 1 0 383.275 2.664 20 0 GFADRO C[C@H]([NH2+]CCOc1ccc(S(N)(=O)=O)cc1)c1ccc2ncsc2c1 ZINC000485852607 564627903 /nfs/dbraw/zinc/62/79/03/564627903.db2.gz YATWRKXESBCDAL-LBPRGKRZSA-N 1 0 377.491 2.673 20 0 GFADRO O[C@@H](C[NH2+][C@H]1COc2ccccc2C1)COc1ccccc1Br ZINC000550700568 564628872 /nfs/dbraw/zinc/62/88/72/564628872.db2.gz XDNGGPMUPXLUBV-CABCVRRESA-N 1 0 378.266 2.782 20 0 GFADRO Cc1c(Br)cccc1C[C@H](CO)CNC(=O)[C@H]1CCC[N@@H+]1C1CC1 ZINC000456726958 564630189 /nfs/dbraw/zinc/63/01/89/564630189.db2.gz RJXDWRRINKVCPA-KBXCAEBGSA-N 1 0 395.341 2.652 20 0 GFADRO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NC[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000485927898 564631949 /nfs/dbraw/zinc/63/19/49/564631949.db2.gz ARMQTMNSIFHUJB-CPUCHLNUSA-N 1 0 380.330 2.589 20 0 GFADRO C[C@@H]1C[C@@H](N(C)C(=O)[C@@H]2CC(=O)Nc3ccc(Br)cc32)CC[N@@H+]1C ZINC000485932254 564632036 /nfs/dbraw/zinc/63/20/36/564632036.db2.gz YJFCDYKVRCKKMU-OSAQELSMSA-N 1 0 394.313 2.816 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NCc2cccc(Cl)c2Cl)C[C@H]1C ZINC000550814789 564632317 /nfs/dbraw/zinc/63/23/17/564632317.db2.gz YQFVNBONJRPMDM-OCCSQVGLSA-N 1 0 386.323 2.941 20 0 GFADRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)NCc1cccc(Cl)c1Cl ZINC000550814557 564632342 /nfs/dbraw/zinc/63/23/42/564632342.db2.gz SCYHXJWNHYOUTI-CQSZACIVSA-N 1 0 386.323 2.990 20 0 GFADRO COC(=O)c1cc(C[NH2+][C@@H]2CCN(c3ccccc3Br)C2)cn1C ZINC000521686748 564634338 /nfs/dbraw/zinc/63/43/38/564634338.db2.gz IBLILXSCJUQEEH-CQSZACIVSA-N 1 0 392.297 2.943 20 0 GFADRO COCC[N@@H+]1CC[C@H](NC(=O)[C@@H](Oc2ccccc2Br)C(C)C)C1 ZINC000521676955 564634347 /nfs/dbraw/zinc/63/43/47/564634347.db2.gz JROXXJQSXVJHJS-YOEHRIQHSA-N 1 0 399.329 2.689 20 0 GFADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)c2cc(Cl)c(F)cc2Cl)CC1 ZINC000550935541 564634442 /nfs/dbraw/zinc/63/44/42/564634442.db2.gz UGMSBFIGCCSIQQ-UHFFFAOYSA-N 1 0 390.286 2.805 20 0 GFADRO O[C@@H](C[NH2+]CCn1cc(Br)cn1)CO[C@H]1CCCc2ccccc21 ZINC000573359795 564634984 /nfs/dbraw/zinc/63/49/84/564634984.db2.gz JBMYBSIWMVYZKD-WMZOPIPTSA-N 1 0 394.313 2.690 20 0 GFADRO CCn1cccc(C[NH2+]CCC(=O)Nc2cccc(Br)c2)c1=O ZINC000573439072 564637758 /nfs/dbraw/zinc/63/77/58/564637758.db2.gz MJNPEQUWOCONRF-UHFFFAOYSA-N 1 0 378.270 2.749 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)CC1CC[NH+](C)CC1 ZINC000486075449 564638048 /nfs/dbraw/zinc/63/80/48/564638048.db2.gz FNHUFGJOCUCVBW-UHFFFAOYSA-N 1 0 396.329 2.934 20 0 GFADRO C[C@H]1CN(C(=O)c2cc(Br)cs2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000486078362 564638917 /nfs/dbraw/zinc/63/89/17/564638917.db2.gz VAZWCDWFIUPJML-GXTWGEPZSA-N 1 0 386.359 2.609 20 0 GFADRO Cc1ccc(C[NH2+]C[C@H](O)COc2ccccc2Cl)cc1S(C)(=O)=O ZINC000573480028 564640175 /nfs/dbraw/zinc/64/01/75/564640175.db2.gz DRQLSLOEQMBXJL-HNNXBMFYSA-N 1 0 383.897 2.581 20 0 GFADRO CCC(C)(C)[NH2+][C@@H](C)C(=O)Nc1cc(N2CCOCC2)c(Br)cn1 ZINC000456981614 564642102 /nfs/dbraw/zinc/64/21/02/564642102.db2.gz NRESKGNZCAAZGD-LBPRGKRZSA-N 1 0 399.333 2.786 20 0 GFADRO OCC1(CN(Cc2ccccn2)Cc2ccc(Br)cc2F)COC1 ZINC000573535995 564642352 /nfs/dbraw/zinc/64/23/52/564642352.db2.gz JOHKUQPUPIUOJP-UHFFFAOYSA-N 1 0 395.272 2.994 20 0 GFADRO CC[C@@H](NC(=O)NCC[N@H+](C)CCOC)c1cc(F)cc(Br)c1 ZINC000486192023 564642729 /nfs/dbraw/zinc/64/27/29/564642729.db2.gz PSOZXGFODSBWFZ-OAHLLOKOSA-N 1 0 390.297 2.917 20 0 GFADRO CNC(=O)Cc1nc(C[NH2+][C@@H]2CCN(C)[C@H]2c2ccc(Cl)cc2)cs1 ZINC000573648826 564647995 /nfs/dbraw/zinc/64/79/95/564647995.db2.gz QTXXBUADZRGNGY-QAPCUYQASA-N 1 0 378.929 2.620 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)NCCC[N@@H+](C)C(C)C)cc1Br ZINC000486366129 564649522 /nfs/dbraw/zinc/64/95/22/564649522.db2.gz BHLPOFDDGCXYRG-UHFFFAOYSA-N 1 0 384.318 2.851 20 0 GFADRO O=C(C[NH2+][C@H](c1cncc(Br)c1)C1CC1)NC(=O)NC1CCCC1 ZINC000551426356 564650091 /nfs/dbraw/zinc/65/00/91/564650091.db2.gz VOBSUXXUAITUOG-INIZCTEOSA-N 1 0 395.301 2.653 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N2CCC(C[NH+](C)C)CC2)cc1Br ZINC000486404069 564651385 /nfs/dbraw/zinc/65/13/85/564651385.db2.gz IRGFWYSAKSAKDG-UHFFFAOYSA-N 1 0 396.329 2.805 20 0 GFADRO C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)Nc1ccc(Br)c(C(F)(F)F)c1 ZINC000573723732 564651504 /nfs/dbraw/zinc/65/15/04/564651504.db2.gz YPRHZERVRHCCDO-SFYZADRCSA-N 1 0 396.207 2.648 20 0 GFADRO CCC[N@H+](CC)C[C@@H](C)NC(=O)CSc1nnc(-c2cccs2)n1C ZINC000573771472 564653574 /nfs/dbraw/zinc/65/35/74/564653574.db2.gz IPCQZTCXZMMJBL-CYBMUJFWSA-N 1 0 381.571 2.872 20 0 GFADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)Nc1ccc(OC)c(Br)c1 ZINC000522783381 564656676 /nfs/dbraw/zinc/65/66/76/564656676.db2.gz NBLAYSPSIKWGEZ-CYBMUJFWSA-N 1 0 386.290 2.690 20 0 GFADRO C[C@H]([NH2+]C[C@H](O)COC[C@@H]1CCCO1)c1ccc(Br)cc1F ZINC000573845907 564656707 /nfs/dbraw/zinc/65/67/07/564656707.db2.gz DFMPGDFXFQJWFH-UBHSHLNASA-N 1 0 376.266 2.795 20 0 GFADRO CS(=O)(=O)N[C@H]1CCC[C@H]1C[NH2+]Cc1c(F)cccc1OC(F)(F)F ZINC000551597261 564657220 /nfs/dbraw/zinc/65/72/20/564657220.db2.gz PEHZRQCDFGPEKX-GWCFXTLKSA-N 1 0 384.395 2.532 20 0 GFADRO O=C(NCCC[NH+]1CCCC1)c1cn(Cc2ccc(Cl)cc2Cl)nn1 ZINC000457385873 564658766 /nfs/dbraw/zinc/65/87/66/564658766.db2.gz IRAVXCMKUZMDDL-UHFFFAOYSA-N 1 0 382.295 2.849 20 0 GFADRO C[C@H]([NH2+]C1CC1)C(=O)NCc1cc(Br)ccc1Br ZINC000573962848 564661582 /nfs/dbraw/zinc/66/15/82/564661582.db2.gz NANPDHOMQQFSNA-QMMMGPOBSA-N 1 0 376.092 2.968 20 0 GFADRO O=S1(=O)CCC(O)(C[NH2+][C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000551814339 564664092 /nfs/dbraw/zinc/66/40/92/564664092.db2.gz UTTIUZWYMUGAQT-SFHVURJKSA-N 1 0 379.909 2.959 20 0 GFADRO COc1ccc([C@@H](CN(C)C)[NH2+][C@@H](C)Cn2cc(Br)cn2)cc1 ZINC000551802945 564664266 /nfs/dbraw/zinc/66/42/66/564664266.db2.gz ZHDYFPDGBHRLIM-SUMWQHHRSA-N 1 0 381.318 2.935 20 0 GFADRO COCC[N@@H+]1CC[C@H](NC(=O)N2CCSC[C@@H]2c2ccc(Cl)cc2)C1 ZINC000523428707 564666672 /nfs/dbraw/zinc/66/66/72/564666672.db2.gz YUNYBJNWBRDOBQ-DLBZAZTESA-N 1 0 383.945 2.860 20 0 GFADRO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCO[C@@H](c2ccc(Br)cc2)[C@H]1C ZINC000486805763 564667478 /nfs/dbraw/zinc/66/74/78/564667478.db2.gz YFWDVSNTJPDGHV-UTJXIGIESA-N 1 0 381.314 2.935 20 0 GFADRO COc1cc(C[NH2+]CC(=O)Nc2cccc(Br)c2)cc(OC)c1O ZINC000574082925 564667884 /nfs/dbraw/zinc/66/78/84/564667884.db2.gz XZVAUUYYTBQULE-UHFFFAOYSA-N 1 0 395.253 2.900 20 0 GFADRO C[C@@H]([NH2+][C@@H]1CCC(=O)N(C)[C@H]1c1ccnn1C)c1ccc(Br)cn1 ZINC000551935082 564669836 /nfs/dbraw/zinc/66/98/36/564669836.db2.gz AXEWVCWYQKRUAO-JDSLSITLSA-N 1 0 392.301 2.590 20 0 GFADRO CC[NH+](CC)C[C@H](C)NC(=O)[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000523660232 564671039 /nfs/dbraw/zinc/67/10/39/564671039.db2.gz MGNPSNOYUIUOQG-XJKSGUPXSA-N 1 0 396.329 2.649 20 0 GFADRO C[N@@H+]1CCCC[C@H]1CN1CCN(CCOc2ccc(Br)cc2)CC1 ZINC000523857865 564673605 /nfs/dbraw/zinc/67/36/05/564673605.db2.gz CMESKHXNIPQMEU-SFHVURJKSA-N 1 0 396.373 2.930 20 0 GFADRO Cc1cc(Br)cn2c(CN3CCC([C@@H]4OCC[C@H]4[NH3+])CC3)cnc12 ZINC000574453273 564674073 /nfs/dbraw/zinc/67/40/73/564674073.db2.gz LEBGPHUIPXLBGB-SJORKVTESA-N 1 0 393.329 2.733 20 0 GFADRO C[NH+](C)[C@H]1CCC[C@@H](NS(=O)(=O)c2cc(Br)c(F)cc2F)C1 ZINC000487116902 564676407 /nfs/dbraw/zinc/67/64/07/564676407.db2.gz OMGORROAYPLARF-ZJUUUORDSA-N 1 0 397.285 2.878 20 0 GFADRO CC[C@@H]1CN(CC[NH2+]Cc2cn(-c3ccc(Cl)cc3Cl)nn2)CCO1 ZINC000487152670 564677353 /nfs/dbraw/zinc/67/73/53/564677353.db2.gz IQGATCSYUMLLSZ-OAHLLOKOSA-N 1 0 384.311 2.775 20 0 GFADRO O=C(NC[C@]1(O)C[NH+]2CCC1CC2)c1csc(-c2cccc(Cl)c2)n1 ZINC000574539731 564678132 /nfs/dbraw/zinc/67/81/32/564678132.db2.gz BEWZNOLXBVPJHD-SFHVURJKSA-N 1 0 377.897 2.650 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(C(=O)N[C@H]3CCOc4ccc(Br)cc43)C[C@@H]21 ZINC000457924706 564679596 /nfs/dbraw/zinc/67/95/96/564679596.db2.gz GAHDCRMFWPTBCB-UGFHNGPFSA-N 1 0 380.286 2.618 20 0 GFADRO CCC[N@@H+]1CCC[C@@H]1C(=O)NCc1cc(OC)c(OC)cc1Br ZINC000524286400 564679663 /nfs/dbraw/zinc/67/96/63/564679663.db2.gz BNPKTXUQDKURFY-CQSZACIVSA-N 1 0 385.302 2.957 20 0 GFADRO C[N@H+](CC(=O)N1CC[C@H](C(F)(F)F)C2(CCOCC2)C1)[C@H]1CCSC1 ZINC000457953616 564680761 /nfs/dbraw/zinc/68/07/61/564680761.db2.gz ZCIVVXGDNNIRGR-KBPBESRZSA-N 1 0 380.476 2.631 20 0 GFADRO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N[C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O ZINC000487294830 564681514 /nfs/dbraw/zinc/68/15/14/564681514.db2.gz CBDFFUOTCANLLJ-OSAQELSMSA-N 1 0 384.307 2.803 20 0 GFADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]Cc1cccc2c1OCCCO2 ZINC000574619473 564681831 /nfs/dbraw/zinc/68/18/31/564681831.db2.gz NTROLPTZUGMTBC-CYBMUJFWSA-N 1 0 393.281 2.950 20 0 GFADRO C[C@@H]1CCN(C(=O)CCNc2ncc(C(F)(F)F)cc2Cl)C[C@@H]1C[NH3+] ZINC000574690698 564684408 /nfs/dbraw/zinc/68/44/08/564684408.db2.gz KDGFSWKKFKCYMI-MNOVXSKESA-N 1 0 378.826 2.999 20 0 GFADRO CCn1c(COc2ccc(Cl)cc2)nnc1SC[C@H](O)C[N@H+](C)CC ZINC000574703712 564685291 /nfs/dbraw/zinc/68/52/91/564685291.db2.gz LYMARHRKFRVYRI-CQSZACIVSA-N 1 0 384.933 2.935 20 0 GFADRO C[C@H]([NH2+]C[C@H]1CCCCN1S(C)(=O)=O)c1ccc(F)cc1OC(F)F ZINC000552333860 564686140 /nfs/dbraw/zinc/68/61/40/564686140.db2.gz QRKOVSOTPJIRIE-WCQYABFASA-N 1 0 380.432 2.892 20 0 GFADRO C[C@@H]1CC[N@H+](CCNC(=O)c2ccc(I)c(F)c2)C1 ZINC000524720434 564686695 /nfs/dbraw/zinc/68/66/95/564686695.db2.gz QDAANKCUWKLGRB-SNVBAGLBSA-N 1 0 376.213 2.502 20 0 GFADRO COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+][C@@H](C)C1(S(C)(=O)=O)CC1 ZINC000552338959 564687393 /nfs/dbraw/zinc/68/73/93/564687393.db2.gz UUAKATHLOPJSTL-RYUDHWBXSA-N 1 0 388.917 2.621 20 0 GFADRO C[NH+](C)[C@@H]1CCCN(C(=O)c2cc(F)ccc2I)C1 ZINC000552359377 564687453 /nfs/dbraw/zinc/68/74/53/564687453.db2.gz XOSHZVYBDBWWHQ-LLVKDONJSA-N 1 0 376.213 2.597 20 0 GFADRO CC[NH+](CC)CCCNC(=O)N[C@@H](CO)c1ccc(Br)c(F)c1 ZINC000487546518 564690179 /nfs/dbraw/zinc/69/01/79/564690179.db2.gz CYELUFYRTTWGOI-HNNXBMFYSA-N 1 0 390.297 2.653 20 0 GFADRO C[NH+](C)C1(CNC(=O)N(CCO)Cc2cccc(Br)c2)CCCC1 ZINC000487643174 564693088 /nfs/dbraw/zinc/69/30/88/564693088.db2.gz PNGWMYXMWZBXAC-UHFFFAOYSA-N 1 0 398.345 2.827 20 0 GFADRO Cc1cc(NC(=O)c2csc(S(C)(=O)=O)c2)ccc1OCC[NH+](C)C ZINC000458191677 564693372 /nfs/dbraw/zinc/69/33/72/564693372.db2.gz AVHGCJLEVQNSEM-UHFFFAOYSA-N 1 0 382.507 2.653 20 0 GFADRO COc1cc(C(=O)NCC[C@H]2CCC[N@H+](C)C2)cc(Br)c1OC ZINC000458222735 564694457 /nfs/dbraw/zinc/69/44/57/564694457.db2.gz QNDABKVYVDMAQS-GFCCVEGCSA-N 1 0 385.302 2.928 20 0 GFADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)NCCC[NH+]2CCC(C)CC2)c1 ZINC000525184616 564694615 /nfs/dbraw/zinc/69/46/15/564694615.db2.gz OIXLFWHXCRWAHV-UHFFFAOYSA-N 1 0 388.917 2.527 20 0 GFADRO CN1CCN(c2ncc(Br)cc2NC(=O)N[C@@H]2CC=CCC2)CC1 ZINC000575331839 564696816 /nfs/dbraw/zinc/69/68/16/564696816.db2.gz ZHELDEMYUWHDEN-CQSZACIVSA-N 1 0 394.317 2.826 20 0 GFADRO CC[NH+](CC)CCS(=O)(=O)N1CCc2c(Br)ccc(F)c2C1 ZINC000575369976 564697756 /nfs/dbraw/zinc/69/77/56/564697756.db2.gz JAVXQJSNOZMCBW-UHFFFAOYSA-N 1 0 393.322 2.618 20 0 GFADRO C[C@H](CNC(=O)NC[C@@H]1CCC[N@H+](C)C1)Oc1cccc(Br)c1 ZINC000525305443 564698518 /nfs/dbraw/zinc/69/85/18/564698518.db2.gz BDTUBIVKBLMTPU-KGLIPLIRSA-N 1 0 384.318 2.857 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)NCc1cc(Br)c2c(c1)OCCO2 ZINC000525298914 564698610 /nfs/dbraw/zinc/69/86/10/564698610.db2.gz JTKNDLHSKBYPGI-CYBMUJFWSA-N 1 0 398.301 2.504 20 0 GFADRO O=C(Cn1cc(Br)cn1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000487949390 564700148 /nfs/dbraw/zinc/70/01/48/564700148.db2.gz RVGHAQXVIHCQLZ-HNNXBMFYSA-N 1 0 383.334 2.760 20 0 GFADRO C[C@H]1C[C@@H](NC(=O)NCc2nc3c(cccc3Br)[nH]2)CC[N@@H+]1C ZINC000458429465 564702087 /nfs/dbraw/zinc/70/20/87/564702087.db2.gz HAAKSXSQOHSSSA-QWRGUYRKSA-N 1 0 380.290 2.607 20 0 GFADRO CC(C)[C@H]1CN(CC(=O)N[C@@H](C)c2ccc(Br)cc2)CC[N@@H+]1C ZINC000488018091 564703024 /nfs/dbraw/zinc/70/30/24/564703024.db2.gz PWZRYSZZPIHGLX-WMLDXEAASA-N 1 0 382.346 2.898 20 0 GFADRO C[C@@H](Cc1ccccc1Br)NC(=O)NC[C@H]1CCCC[N@@H+]1CCO ZINC000458534646 564705346 /nfs/dbraw/zinc/70/53/46/564705346.db2.gz DUPJTVLMHQBVSO-GOEBONIOSA-N 1 0 398.345 2.526 20 0 GFADRO C[C@H]1CC[N@H+](CC(=O)N2CCO[C@H](c3ccc(F)c(Br)c3)C2)C1 ZINC000576052040 564705720 /nfs/dbraw/zinc/70/57/20/564705720.db2.gz ZIKBFIYHNUBPBH-LRDDRELGSA-N 1 0 385.277 2.830 20 0 GFADRO C[C@H](Cc1ccccc1Br)NC(=O)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000458553050 564706050 /nfs/dbraw/zinc/70/60/50/564706050.db2.gz WZVKOQPGIWSDBM-ZBFHGGJFSA-N 1 0 398.345 2.526 20 0 GFADRO C[C@H]1CSCC[N@H+](CC(=O)N2CCN(Cc3cccc(Cl)c3)CC2)C1 ZINC000488174417 564706623 /nfs/dbraw/zinc/70/66/23/564706623.db2.gz HSTWGGVCGFWNJD-MRXNPFEDSA-N 1 0 381.973 2.669 20 0 GFADRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N(C)Cc1ccc(Cl)c(Cl)c1 ZINC000553021786 564707179 /nfs/dbraw/zinc/70/71/79/564707179.db2.gz BXEVPZHBSUGSGO-CQSZACIVSA-N 1 0 386.323 2.942 20 0 GFADRO [NH3+]CC[C@@H]1CCCCN1C(=O)c1cn(-c2ccc(Br)cc2)cn1 ZINC000576219861 564708632 /nfs/dbraw/zinc/70/86/32/564708632.db2.gz XDPWKEVZRRMSSI-HNNXBMFYSA-N 1 0 377.286 2.978 20 0 GFADRO COc1cc(C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc(Br)c1OC ZINC000576269930 564710060 /nfs/dbraw/zinc/71/00/60/564710060.db2.gz BFQXEQPEUIFHTO-SUHUHFCYSA-N 1 0 383.286 2.666 20 0 GFADRO Cc1cc(C[N@@H+]2CCC[C@@H]2C[C@@]2(C)NC(=O)NC2=O)sc1Br ZINC000576505337 564714215 /nfs/dbraw/zinc/71/42/15/564714215.db2.gz ILTOGONISMKDMI-MEBBXXQBSA-N 1 0 386.315 2.772 20 0 GFADRO CC(=O)NCCN(Cc1ccc(Cl)cc1Cl)C(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000488578013 564714681 /nfs/dbraw/zinc/71/46/81/564714681.db2.gz FPCXUKDOWDIVPN-BLLLJJGKSA-N 1 0 386.323 2.656 20 0 GFADRO C[C@@H](NC(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O)c1cc(Cl)ccc1Cl ZINC000488581425 564715171 /nfs/dbraw/zinc/71/51/71/564715171.db2.gz URPAEQZOSVINEE-IAQYHMDHSA-N 1 0 387.311 2.693 20 0 GFADRO [NH3+]CCC1CCN(C(=O)C(=O)N[C@@H]2CCc3c2ccc(Cl)c3Cl)CC1 ZINC000576762230 564718061 /nfs/dbraw/zinc/71/80/61/564718061.db2.gz SSPBPNNTQPTBMO-OAHLLOKOSA-N 1 0 384.307 2.684 20 0 GFADRO COc1cc(C[NH2+]C[C@H](O)C(F)F)cc(Br)c1OC(F)F ZINC000553528785 564724410 /nfs/dbraw/zinc/72/44/10/564724410.db2.gz UJQQJCSEXZIWFM-QMMMGPOBSA-N 1 0 376.144 2.775 20 0 GFADRO CN(CC(=O)Nc1ccc2c(c1)C[NH2+]C2)C(=O)c1ccc(Br)s1 ZINC000577098341 564724662 /nfs/dbraw/zinc/72/46/62/564724662.db2.gz WHVVANHLZOIKEO-UHFFFAOYSA-N 1 0 394.294 2.825 20 0 GFADRO Cc1nc(CNC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)sc1Br ZINC000458930912 564725052 /nfs/dbraw/zinc/72/50/52/564725052.db2.gz PLUJZHVNBSSKPX-NWDGAFQWSA-N 1 0 387.347 2.840 20 0 GFADRO O=C(CNc1ccncc1Cl)Nc1ccc(I)cc1 ZINC000553562358 564726681 /nfs/dbraw/zinc/72/66/81/564726681.db2.gz MOGKFDSERJJVMF-UHFFFAOYSA-N 1 0 387.608 2.812 20 0 GFADRO C[NH+](C)CCCNS(=O)(=O)c1ccc(Br)c(Cl)c1Cl ZINC000489056414 564728456 /nfs/dbraw/zinc/72/84/56/564728456.db2.gz YDSMPPWNKYOQBB-UHFFFAOYSA-N 1 0 390.130 2.986 20 0 GFADRO CN(CC[NH2+]Cc1cnc(-c2ccncc2)s1)S(=O)(=O)c1cccs1 ZINC000553579975 564728607 /nfs/dbraw/zinc/72/86/07/564728607.db2.gz BVRACWLOYSVVGZ-UHFFFAOYSA-N 1 0 394.547 2.677 20 0 GFADRO Cc1c(Br)c2ccccc2n1CC(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000577198118 564729407 /nfs/dbraw/zinc/72/94/07/564729407.db2.gz GVBUBKXSNICCIA-KGLIPLIRSA-N 1 0 376.298 2.780 20 0 GFADRO O=C(NC[C@@H](O)C(F)F)NC[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC000489241567 564733113 /nfs/dbraw/zinc/73/31/13/564733113.db2.gz WAZRUZGUQYFDEM-HUUCEWRRSA-N 1 0 375.847 2.620 20 0 GFADRO COc1nc(C)c(Br)cc1C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000527267988 564736316 /nfs/dbraw/zinc/73/63/16/564736316.db2.gz ZILBOQSZFZRMQG-UHFFFAOYSA-N 1 0 382.302 2.908 20 0 GFADRO CC(=O)N1CC[C@H]([NH2+]Cc2ccc(S(C)(=O)=O)s2)c2ccccc2C1 ZINC000527292607 564737030 /nfs/dbraw/zinc/73/70/30/564737030.db2.gz QEYIWFKCGHQLQC-KRWDZBQOSA-N 1 0 378.519 2.735 20 0 GFADRO C[C@@H](CNC(=O)N1CC[C@]2(CC[N@H+](C)C2)C1)Oc1cccc(Br)c1 ZINC000489393905 564738648 /nfs/dbraw/zinc/73/86/48/564738648.db2.gz DPIFMGQKLKNYSI-KSSFIOAISA-N 1 0 396.329 2.954 20 0 GFADRO CC(C)[N@H+](C)CC1CCN(C(=O)C(=O)Nc2ccc(Br)cc2)CC1 ZINC000527326670 564740181 /nfs/dbraw/zinc/74/01/81/564740181.db2.gz SAPJIKLAXDZELM-UHFFFAOYSA-N 1 0 396.329 2.966 20 0 GFADRO [NH3+][C@H]1CCCC[C@H]1CC(=O)NCCc1ccc(I)s1 ZINC000578066285 564740375 /nfs/dbraw/zinc/74/03/75/564740375.db2.gz NFHSDKMECHAYOY-JQWIXIFHSA-N 1 0 392.306 2.919 20 0 GFADRO CCO[C@@H]1C[C@@H]([NH2+]CCCN(C)S(=O)(=O)CC)[C@H]1Sc1ccccc1 ZINC000459374842 564740815 /nfs/dbraw/zinc/74/08/15/564740815.db2.gz MKDPVTDHDISLFQ-KZNAEPCWSA-N 1 0 386.583 2.586 20 0 GFADRO COCC[N@H+](C[C@H](O)COc1ccc(Cl)cc1Cl)[C@@H]1CCO[C@@H]1C ZINC000489493840 564741425 /nfs/dbraw/zinc/74/14/25/564741425.db2.gz GJBIMFISCLAVLA-IVMMDQJWSA-N 1 0 378.296 2.859 20 0 GFADRO COCCNS(=O)(=O)c1ccc(C[NH2+]CCc2cccc(Cl)c2)cc1 ZINC000459382115 564742577 /nfs/dbraw/zinc/74/25/77/564742577.db2.gz FDBYTCNCNUBQFD-UHFFFAOYSA-N 1 0 382.913 2.597 20 0 GFADRO CN1CCN([C@H](C[NH2+][C@@H]2CCO[C@H](C(F)(F)F)C2)c2cccs2)CC1 ZINC000578350465 564743235 /nfs/dbraw/zinc/74/32/35/564743235.db2.gz DNKZYNNWXQQYTM-FMKPAKJESA-N 1 0 377.476 2.736 20 0 GFADRO O[C@H](C[NH2+]Cc1cnc(C2CC2)nc1)COc1ccccc1Br ZINC000459426163 564744152 /nfs/dbraw/zinc/74/41/52/564744152.db2.gz CZKLARSTBLXDCM-CQSZACIVSA-N 1 0 378.270 2.646 20 0 GFADRO CC(C)[C@](C)([NH2+]CCCOc1cccc(I)c1)C(N)=O ZINC000459473109 564746295 /nfs/dbraw/zinc/74/62/95/564746295.db2.gz DHZNWJQZIGSWBV-HNNXBMFYSA-N 1 0 390.265 2.550 20 0 GFADRO C[C@@H](Cc1ccc(Br)cc1F)[NH2+]C[C@@H]1C[C@@H](c2nnc[nH]2)C[C@@H]1O ZINC000527569766 564747674 /nfs/dbraw/zinc/74/76/74/564747674.db2.gz YKCFNOWBBFLHJJ-GXCBOPRBSA-N 1 0 397.292 2.782 20 0 GFADRO C[C@@H](Cc1ccc(Br)c(F)c1)[NH2+]C[C@H]1CCCS(=O)(=O)C1 ZINC000554088515 564750392 /nfs/dbraw/zinc/75/03/92/564750392.db2.gz LTSSSVAVAPQAHJ-WCQYABFASA-N 1 0 378.307 2.934 20 0 GFADRO CCS(=O)(=O)N1CCC(C[NH2+][C@H](COC)c2cccc(Cl)c2F)CC1 ZINC000554090217 564750466 /nfs/dbraw/zinc/75/04/66/564750466.db2.gz NQXHHRGKYLKZCC-MRXNPFEDSA-N 1 0 392.924 2.818 20 0 GFADRO C[C@H]1CN(Cc2cccc(O)c2Br)CCN1C1CC[NH+](C)CC1 ZINC000459557274 564750710 /nfs/dbraw/zinc/75/07/10/564750710.db2.gz JHLFEMBIEZCOKG-AWEZNQCLSA-N 1 0 382.346 2.755 20 0 GFADRO CCn1c(SCC(=O)N[C@@H](C)C[NH+](C)C)nnc1-c1ccc(Cl)cc1 ZINC000554137188 564751102 /nfs/dbraw/zinc/75/11/02/564751102.db2.gz KDXICCASDLYMSR-LBPRGKRZSA-N 1 0 381.933 2.777 20 0 GFADRO COc1ccc(OC)c([C@H](O)CNCc2ncc(Br)cc2F)c1 ZINC000527635143 564752336 /nfs/dbraw/zinc/75/23/36/564752336.db2.gz MRLFLMSUIVOAQL-OAHLLOKOSA-N 1 0 385.233 2.824 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NCc2ccc(Cl)cc2Cl)C[C@@H]1C ZINC000579813261 564752408 /nfs/dbraw/zinc/75/24/08/564752408.db2.gz BUYJKJHQTISIBA-SWLSCSKDSA-N 1 0 386.323 2.941 20 0 GFADRO C[NH+](C)[C@@H]1CCCN(S(=O)(=O)c2cccc(OC(F)(F)F)c2F)CC1 ZINC000489801112 564753569 /nfs/dbraw/zinc/75/35/69/564753569.db2.gz CBPJDQFMMGDLPI-LLVKDONJSA-N 1 0 384.395 2.829 20 0 GFADRO C[C@@H]1C[C@@H]1N1C[C@H]([NH2+]Cc2c[nH]nc2-c2ccc(Br)s2)CC1=O ZINC000527665668 564754410 /nfs/dbraw/zinc/75/44/10/564754410.db2.gz HPKITGMRLSYXFQ-JLLWLGSASA-N 1 0 395.326 3.000 20 0 GFADRO O[C@H]1C[C@H](CNCc2ncc(Br)cc2F)[N@H+](Cc2ccccc2)C1 ZINC000527682451 564755450 /nfs/dbraw/zinc/75/54/50/564755450.db2.gz DQHNCTNPYRFBFB-CVEARBPZSA-N 1 0 394.288 2.708 20 0 GFADRO C[NH+](C)Cc1ccc(C(N)=O)cc1NCc1ncc(Br)cc1F ZINC000527683230 564755533 /nfs/dbraw/zinc/75/55/33/564755533.db2.gz OFRKWELBJIGJDG-UHFFFAOYSA-N 1 0 381.249 2.756 20 0 GFADRO C[C@H](Cc1ccccc1C(F)(F)F)[N@H+](C)C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000554275408 564755673 /nfs/dbraw/zinc/75/56/73/564755673.db2.gz UBPZIQCLTJXVMP-ZIAGYGMSSA-N 1 0 378.460 2.850 20 0 GFADRO CN(CC(=O)Nc1ccccc1Br)C(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000489865568 564755750 /nfs/dbraw/zinc/75/57/50/564755750.db2.gz XIZGREAWJUGCKW-BJJXKVORSA-N 1 0 394.313 2.767 20 0 GFADRO Cc1ccc(O)c(C[NH2+]C[C@@H](CO)Cc2cc(F)cc(Br)c2)n1 ZINC000459684767 564756693 /nfs/dbraw/zinc/75/66/93/564756693.db2.gz AKGQMCSJANDGSV-ZDUSSCGKSA-N 1 0 383.261 2.938 20 0 GFADRO O[C@H](COc1ccc(Br)cc1)C[N@@H+]1CC2(CCC2)[C@@H]2COC[C@H]21 ZINC000459701270 564757646 /nfs/dbraw/zinc/75/76/46/564757646.db2.gz GEBKAJKWEKALGM-USXIJHARSA-N 1 0 382.298 2.690 20 0 GFADRO CCc1nnc(NC(=O)[C@H](C)[C@H](C)[NH2+][C@@H]2CCO[C@@H](C(F)(F)F)C2)s1 ZINC000554371693 564758345 /nfs/dbraw/zinc/75/83/45/564758345.db2.gz VCGCPKDMZKTNFW-LMLFDSFASA-N 1 0 380.436 2.763 20 0 GFADRO COCCOC[C@H](O)C[NH2+]CC1(c2cccc(Br)c2)CCCC1 ZINC000580423577 564758392 /nfs/dbraw/zinc/75/83/92/564758392.db2.gz YFTDFAPVKDTPGH-QGZVFWFLSA-N 1 0 386.330 2.874 20 0 GFADRO C[C@H]1CN(S(=O)(=O)c2ccc3ccccc3c2Br)CC[C@H]1[NH3+] ZINC000580429814 564758453 /nfs/dbraw/zinc/75/84/53/564758453.db2.gz CMUPPQYMSVBQEG-SMDDNHRTSA-N 1 0 383.311 2.960 20 0 GFADRO O=S(=O)(c1ccc(OC(F)F)c(Cl)c1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000489987493 564759675 /nfs/dbraw/zinc/75/96/75/564759675.db2.gz IEFFOLPILIGDBF-OAHLLOKOSA-N 1 0 380.844 2.706 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+]C[C@H](O)[C@H]1CCCO1 ZINC000527757541 564759776 /nfs/dbraw/zinc/75/97/76/564759776.db2.gz KCXUESGDEVOOJV-DLBZAZTESA-N 1 0 380.286 2.573 20 0 GFADRO C[C@H]1C[NH+](CCCNC(=O)c2ccc(Br)c(F)c2F)C[C@H](C)O1 ZINC000527775114 564760510 /nfs/dbraw/zinc/76/05/10/564760510.db2.gz YKSXVPRLBMOTLD-QWRGUYRKSA-N 1 0 391.256 2.956 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH2+]C[C@H](O)[C@H]1CCCO1 ZINC000527760937 564760638 /nfs/dbraw/zinc/76/06/38/564760638.db2.gz UFGQBJHNLIGSES-ZWKOTPCHSA-N 1 0 394.313 2.881 20 0 GFADRO C[C@H]1C[NH+](CCCCNc2ncccc2I)C[C@H](C)O1 ZINC000490139403 564764504 /nfs/dbraw/zinc/76/45/04/564764504.db2.gz KMANFAIIJXWTSU-STQMWFEESA-N 1 0 389.281 2.988 20 0 GFADRO Cc1csc(-c2cccc(S(=O)(=O)NC[C@@]3([NH+](C)C)CCSC3)c2)n1 ZINC000554534853 564764670 /nfs/dbraw/zinc/76/46/70/564764670.db2.gz YCTHVSBEKAZDLZ-KRWDZBQOSA-N 1 0 397.591 2.834 20 0 GFADRO O=S(=O)(C1CC[NH+](CCCOc2ccc(Cl)cc2)CC1)N1CCCC1 ZINC000554556735 564765668 /nfs/dbraw/zinc/76/56/68/564765668.db2.gz QBPYOAAPGOTVRR-UHFFFAOYSA-N 1 0 386.945 2.999 20 0 GFADRO C[N@@H+]1CCC[C@@H](CNC(=O)Nc2ccc3nccnc3c2Br)C1 ZINC000554543094 564765835 /nfs/dbraw/zinc/76/58/35/564765835.db2.gz FNDJPXMDXNWLOE-NSHDSACASA-N 1 0 378.274 2.856 20 0 GFADRO CC[C@H]([NH2+]C[C@H](O)[C@@H]1CCCO1)c1ccc(I)cc1 ZINC000527956628 564766227 /nfs/dbraw/zinc/76/62/27/564766227.db2.gz RCBGQLPRKRMDFG-KKUMJFAQSA-N 1 0 375.250 2.872 20 0 GFADRO C[C@H]([NH2+][C@@H]1[C@H](C)O[C@@H](C)[C@H]1C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000528004958 564767007 /nfs/dbraw/zinc/76/70/07/564767007.db2.gz HTFGFYIOTQVGKJ-YQEZVOHVSA-N 1 0 391.331 2.559 20 0 GFADRO C[C@@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)C(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000459969169 564767129 /nfs/dbraw/zinc/76/71/29/564767129.db2.gz KEIYUMXKOPLFNU-DETPVDSQSA-N 1 0 384.307 2.675 20 0 GFADRO CC(C)C[N@@H+]1CC[C@H](C[NH2+]C[C@@H](O)COc2cccc(Br)c2)C1 ZINC000580641165 564767441 /nfs/dbraw/zinc/76/74/41/564767441.db2.gz KZAFECOZZBBHQJ-NVXWUHKLSA-N 1 0 385.346 2.756 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+][C@@H](CO)C1CCOCC1 ZINC000554644275 564768680 /nfs/dbraw/zinc/76/86/80/564768680.db2.gz BNQYNKKQNVZFBO-SFHVURJKSA-N 1 0 394.313 2.820 20 0 GFADRO O=C(NC1CC[NH+](C2CC2)CC1)[C@@H]1CC(=O)Nc2ccc(Br)cc21 ZINC000580752264 564772785 /nfs/dbraw/zinc/77/27/85/564772785.db2.gz BJVOCEDTFSGNDF-OAHLLOKOSA-N 1 0 392.297 2.618 20 0 GFADRO COCc1cc(Cl)cc(S(=O)(=O)NCC2(SC)CC[NH+](C)CC2)c1 ZINC000580803066 564774480 /nfs/dbraw/zinc/77/44/80/564774480.db2.gz HSDMMGDYFFEHQL-UHFFFAOYSA-N 1 0 392.974 2.592 20 0 GFADRO CS[C@@H]1CN(CC(=O)Nc2ccccc2Br)C[C@@H]1[NH+]1CCCC1 ZINC000460353177 564774839 /nfs/dbraw/zinc/77/48/39/564774839.db2.gz PKAQOJNJJCTHAC-JKSUJKDBSA-N 1 0 398.370 2.899 20 0 GFADRO CN1CCN(C(=O)CC[N@@H+]2CCC[C@@H]2c2ccc(Br)c(F)c2)CC1 ZINC000554842590 564774744 /nfs/dbraw/zinc/77/47/44/564774744.db2.gz HVHJVMQMPMOVNM-QGZVFWFLSA-N 1 0 398.320 2.889 20 0 GFADRO CC[N@H+](CCNC(=O)N1CC[C@H](n2cc(Cl)cn2)C1)CCC(F)(F)F ZINC000460669433 564778862 /nfs/dbraw/zinc/77/88/62/564778862.db2.gz MXXQSEZRJZTIPU-ZDUSSCGKSA-N 1 0 381.830 2.767 20 0 GFADRO COCCC[NH+]1CCC(NC(=O)c2ccc(Br)c(F)c2F)CC1 ZINC000528367229 564780913 /nfs/dbraw/zinc/78/09/13/564780913.db2.gz JNUCBUQYPPBGBS-UHFFFAOYSA-N 1 0 391.256 2.958 20 0 GFADRO C[C@H]1CC[N@H+](C)CCN1C(=O)Nc1ccc2nccnc2c1Br ZINC000490830257 564782463 /nfs/dbraw/zinc/78/24/63/564782463.db2.gz UURCBSOOCKOJFA-NSHDSACASA-N 1 0 378.274 2.950 20 0 GFADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(Br)c(F)c1F ZINC000528430096 564784026 /nfs/dbraw/zinc/78/40/26/564784026.db2.gz VZYZAQBPTOZNSN-JTQLQIEISA-N 1 0 377.229 2.568 20 0 GFADRO CCc1ncc(S(=O)(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)s1 ZINC000460963826 564786605 /nfs/dbraw/zinc/78/66/05/564786605.db2.gz ZYZCINMVOFKFMA-MRXNPFEDSA-N 1 0 379.551 2.548 20 0 GFADRO CC[NH+]1CCN([C@H]2CCN(C(=O)c3sc4ncccc4c3Cl)C2)CC1 ZINC000528456798 564787122 /nfs/dbraw/zinc/78/71/22/564787122.db2.gz QVPROIUFQLVCJD-ZDUSSCGKSA-N 1 0 378.929 2.802 20 0 GFADRO C[C@@H](Oc1cccc(Br)c1)C(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000460995396 564787322 /nfs/dbraw/zinc/78/73/22/564787322.db2.gz VSHMHAHRZFQDEF-CQSZACIVSA-N 1 0 399.329 2.786 20 0 GFADRO O=C(NCCC[NH+]1CCCC1)N[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000491208474 564788574 /nfs/dbraw/zinc/78/85/74/564788574.db2.gz RCROIUQOBTYKMH-MRXNPFEDSA-N 1 0 395.345 2.813 20 0 GFADRO C[C@@]1(Br)C[C@@H]1C(=O)Nc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000528543510 564792483 /nfs/dbraw/zinc/79/24/83/564792483.db2.gz ZVKMFZLQOYLJGF-CRAIPNDOSA-N 1 0 394.313 2.624 20 0 GFADRO COc1cc(C[NH2+][C@@H]2CCO[C@H](c3ccnn3C)C2)cc(Br)c1O ZINC000581291123 564795941 /nfs/dbraw/zinc/79/59/41/564795941.db2.gz HUTYVMRDTCHPRP-DOMZBBRYSA-N 1 0 396.285 2.907 20 0 GFADRO CSCc1cnc(CNCCN2CC[NH+](Cc3ccccc3)CC2)s1 ZINC000555510783 564795911 /nfs/dbraw/zinc/79/59/11/564795911.db2.gz SAJMXVDCMWDSGK-UHFFFAOYSA-N 1 0 376.595 2.914 20 0 GFADRO CCC[NH+]1CCC(NS(=O)(=O)c2ccc(OCC(F)(F)F)cc2)CC1 ZINC000491839257 564796091 /nfs/dbraw/zinc/79/60/91/564796091.db2.gz XZNDFHWCOINWLX-UHFFFAOYSA-N 1 0 380.432 2.780 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)c3cn(-c4ccc(Br)cc4)cn3)C[C@H]21 ZINC000581305161 564797209 /nfs/dbraw/zinc/79/72/09/564797209.db2.gz RYWSSBGLXRMWNN-DAXOMENPSA-N 1 0 389.297 2.834 20 0 GFADRO Cn1nnc2cc(C[NH2+][C@H](CO)c3ccc(Br)c(F)c3)ccc21 ZINC000492102517 564798546 /nfs/dbraw/zinc/79/85/46/564798546.db2.gz FNXUICXGZXAZAW-OAHLLOKOSA-N 1 0 379.233 2.693 20 0 GFADRO O=C(NC[C@@H]1COCC[NH2+]1)Nc1ccc(Br)cc1C(F)(F)F ZINC000528675709 564799645 /nfs/dbraw/zinc/79/96/45/564799645.db2.gz RBEPJBUCMGJSPX-SECBINFHSA-N 1 0 382.180 2.578 20 0 GFADRO COc1cc(Br)c(NC(=O)N[C@H]2CC[NH2+]C23CCC3)cc1OC ZINC000528676660 564799873 /nfs/dbraw/zinc/79/98/73/564799873.db2.gz NNRTWZJYDBMNJH-AWEZNQCLSA-N 1 0 384.274 2.872 20 0 GFADRO Cc1nc(NC(=O)N2CCC(CO[C@H]3CC[NH2+]C3)CC2)ccc1Br ZINC000528691859 564800860 /nfs/dbraw/zinc/80/08/60/564800860.db2.gz WPWZEUCEDGXAHF-AWEZNQCLSA-N 1 0 397.317 2.775 20 0 GFADRO COCCOc1ccc(Br)cc1NC(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000528686014 564801034 /nfs/dbraw/zinc/80/10/34/564801034.db2.gz IYOOCQYSPRYLMX-HNNXBMFYSA-N 1 0 398.301 2.880 20 0 GFADRO C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1[NH2+]CC(=O)Nc1cccc(I)c1 ZINC000528755353 564803557 /nfs/dbraw/zinc/80/35/57/564803557.db2.gz GVBRFARWVXTBLA-ZVXAKGHKSA-N 1 0 388.249 2.631 20 0 GFADRO C[NH+](C)C[C@@H](NCc1nnnn1CC(F)(F)F)c1ccc(Cl)c(Cl)c1 ZINC000528770950 564803803 /nfs/dbraw/zinc/80/38/03/564803803.db2.gz YVPGOXRKICXPOU-GFCCVEGCSA-N 1 0 397.232 2.935 20 0 GFADRO C[NH+](C)C[C@H](NCc1nnnn1CC(F)(F)F)c1ccc(Cl)c(Cl)c1 ZINC000528770954 564803839 /nfs/dbraw/zinc/80/38/39/564803839.db2.gz YVPGOXRKICXPOU-LBPRGKRZSA-N 1 0 397.232 2.935 20 0 GFADRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)Nc1ccc(Br)c(C2CC2)n1 ZINC000555882006 564807651 /nfs/dbraw/zinc/80/76/51/564807651.db2.gz KZYOMHHRRULIRU-LLVKDONJSA-N 1 0 397.317 2.507 20 0 GFADRO COc1ccc([C@H]([NH2+]Cc2cc(Cl)cc(S(N)(=O)=O)c2)C2CC2)cn1 ZINC000528848331 564808010 /nfs/dbraw/zinc/80/80/10/564808010.db2.gz AWYCJAYLTFWNHT-QGZVFWFLSA-N 1 0 381.885 2.632 20 0 GFADRO O=C(NC[C@H](CO)Cc1ccccc1Br)c1ccc2c[nH+]cn2c1 ZINC000581564429 564808200 /nfs/dbraw/zinc/80/82/00/564808200.db2.gz OCWBHBBDHCJPOT-CYBMUJFWSA-N 1 0 388.265 2.678 20 0 GFADRO COC(=O)c1cc(Br)cc(C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)c1 ZINC000461929691 564809254 /nfs/dbraw/zinc/80/92/54/564809254.db2.gz XMKMNDRNZZKHOM-INIZCTEOSA-N 1 0 395.297 2.936 20 0 GFADRO Cc1ccc(Br)c(C)c1C(=O)N(C)CCCN1CC[NH+](C)CC1 ZINC000556028552 564810434 /nfs/dbraw/zinc/81/04/34/564810434.db2.gz IOEYBYPQLXGIGF-UHFFFAOYSA-N 1 0 382.346 2.775 20 0 GFADRO CC[NH+]1CCC(CNS(=O)(=O)c2sc(C)cc2Br)CC1 ZINC000581644574 564811413 /nfs/dbraw/zinc/81/14/13/564811413.db2.gz SWQWNBRKHFBLGH-UHFFFAOYSA-N 1 0 381.361 2.829 20 0 GFADRO COc1cc(CNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)cc(Br)c1OC ZINC000461993638 564810657 /nfs/dbraw/zinc/81/06/57/564810657.db2.gz WVNRCASYVJQZIH-TXEJJXNPSA-N 1 0 385.302 2.955 20 0 GFADRO C[C@@H](CC(=O)Nc1ccn(CC[NH+](C)C)n1)c1ccc(F)c(Br)c1 ZINC000462029418 564811461 /nfs/dbraw/zinc/81/14/61/564811461.db2.gz CIZRKQYGVPFMTO-LBPRGKRZSA-N 1 0 397.292 3.479 20 0 GFADRO NC(=O)[C@H]1CCC[N@H+](CCCN[C@@H]2CCc3sc(Br)cc32)C1 ZINC000556076279 564812238 /nfs/dbraw/zinc/81/22/38/564812238.db2.gz LWZQTFAFDWHKHQ-WCQYABFASA-N 1 0 386.359 2.675 20 0 GFADRO O=C(C[C@H]1C[NH2+]CCO1)NCC1(c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000581665901 564812961 /nfs/dbraw/zinc/81/29/61/564812961.db2.gz MOUCKNRPYYESAJ-LBPRGKRZSA-N 1 0 376.806 2.885 20 0 GFADRO Cc1cc(Br)cc2c1[C@H]([NH2+]C1CCN(CC(=O)N(C)C)CC1)CC2 ZINC000493916617 564813151 /nfs/dbraw/zinc/81/31/51/564813151.db2.gz LOMDJKVLXBALOV-QGZVFWFLSA-N 1 0 394.357 2.887 20 0 GFADRO O=C([C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000556169308 564814527 /nfs/dbraw/zinc/81/45/27/564814527.db2.gz XSRMQPMSBKGUEI-DETPVDSQSA-N 1 0 382.291 2.557 20 0 GFADRO NC(=O)[C@H]1CCC[N@H+](CCCNCc2ccc(Br)c(Cl)c2)C1 ZINC000494008217 564815589 /nfs/dbraw/zinc/81/55/89/564815589.db2.gz VJLQEEFSJNNKMR-ZDUSSCGKSA-N 1 0 388.737 2.780 20 0 GFADRO CC1([NH+]2CCOCC2)CCN(C(=O)Nc2cc(Br)ccn2)CC1 ZINC000529081258 564817319 /nfs/dbraw/zinc/81/73/19/564817319.db2.gz LVSAUEDGESFBOD-UHFFFAOYSA-N 1 0 383.290 2.563 20 0 GFADRO CC1CC[NH+](CCNS(=O)(=O)CCc2ccccc2Br)CC1 ZINC000462103321 564819756 /nfs/dbraw/zinc/81/97/56/564819756.db2.gz GDBAGVFSFMCZIU-UHFFFAOYSA-N 1 0 389.359 2.643 20 0 GFADRO CCn1cc(Br)c(=O)c(NC(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)c1 ZINC000529129775 564820897 /nfs/dbraw/zinc/82/08/97/564820897.db2.gz MQTFFYAUCFRNQX-ZDUSSCGKSA-N 1 0 397.317 2.769 20 0 GFADRO CC1(C)[NH2+]CC[C@H]1NC(=O)CCc1nc(-c2cc(Br)cs2)no1 ZINC000581924717 564822542 /nfs/dbraw/zinc/82/25/42/564822542.db2.gz JRKFGEITDXGHQY-LLVKDONJSA-N 1 0 399.314 2.750 20 0 GFADRO Cc1c(S(=O)(=O)N2CCC[C@@H]([NH+](C)C)C2)cnn1-c1ccc(Cl)cc1 ZINC000462140108 564823043 /nfs/dbraw/zinc/82/30/43/564823043.db2.gz ZYGYICCFFXEYHP-MRXNPFEDSA-N 1 0 382.917 2.549 20 0 GFADRO Cc1cc(Br)c(S(=O)(=O)N(C)C[C@H]2CCC[N@H+](C)C2)s1 ZINC000462134689 564823149 /nfs/dbraw/zinc/82/31/49/564823149.db2.gz DSBDMTHFPBKORC-NSHDSACASA-N 1 0 381.361 2.781 20 0 GFADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)Nc1cc(Cl)c(Br)cc1F ZINC000529175063 564824254 /nfs/dbraw/zinc/82/42/54/564824254.db2.gz RMVUJNSVBAGQAJ-SECBINFHSA-N 1 0 393.688 2.609 20 0 GFADRO Cn1nccc1N1CCC[C@H]([NH2+]Cc2cccc(I)c2)C1 ZINC000556411814 564824447 /nfs/dbraw/zinc/82/44/47/564824447.db2.gz HJLSTCJVRAATPT-HNNXBMFYSA-N 1 0 396.276 2.783 20 0 GFADRO CN(C)[C@@H](C(=O)N1CCSC[C@H]1c1cnn(C)c1)c1ccc(Cl)cc1 ZINC000582011309 564826451 /nfs/dbraw/zinc/82/64/51/564826451.db2.gz XTGGEPBPWXFUIE-DLBZAZTESA-N 1 0 378.929 2.993 20 0 GFADRO CCSc1nnc(NC(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)s1 ZINC000462240288 564828558 /nfs/dbraw/zinc/82/85/58/564828558.db2.gz WFNSILHVMRKYPY-JSGCOSHPSA-N 1 0 377.539 3.292 20 0 GFADRO O=C(N[C@@H]1CCN(c2ccccc2Br)C1)N[C@@H]1CC[NH2+]C12CCC2 ZINC000529303405 564828620 /nfs/dbraw/zinc/82/86/20/564828620.db2.gz FPWJNQLESFNGGL-CZUORRHYSA-N 1 0 393.329 2.612 20 0 GFADRO CC[C@@H](NC(=O)c1ccn(CC[NH+](C)C)n1)c1nc(C(F)(F)F)cs1 ZINC000582071147 564829092 /nfs/dbraw/zinc/82/90/92/564829092.db2.gz JCCWEIOFFRBCAP-SNVBAGLBSA-N 1 0 375.420 2.801 20 0 GFADRO CC[N@@H+]1CCC[C@H](CNS(=O)(=O)c2ccc(Br)c(F)c2)C1 ZINC000462253531 564829336 /nfs/dbraw/zinc/82/93/36/564829336.db2.gz HQWSAAFMCDADPI-LLVKDONJSA-N 1 0 379.295 2.598 20 0 GFADRO O=C(Cc1ccc(I)cc1)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000582061322 564829463 /nfs/dbraw/zinc/82/94/63/564829463.db2.gz LDXYYJNFTMOHGG-CABCVRRESA-N 1 0 398.288 2.682 20 0 GFADRO [NH3+]CC1(NC(=O)N[C@H]2C[C@H](c3ccc(Br)cc3)C2)CCOCC1 ZINC000529323260 564829598 /nfs/dbraw/zinc/82/95/98/564829598.db2.gz FAYRVKNMBSXAPM-CTYIDZIISA-N 1 0 382.302 2.502 20 0 GFADRO CNC(=O)c1cccc(NC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)c1Br ZINC000494450954 564830434 /nfs/dbraw/zinc/83/04/34/564830434.db2.gz AFCBHNSACIPCAP-NSHDSACASA-N 1 0 399.333 2.907 20 0 GFADRO CCS(=O)(=O)N1CC(C[NH2+][C@@H]2CCc3cc(Br)cc(C)c32)C1 ZINC000494448704 564830664 /nfs/dbraw/zinc/83/06/64/564830664.db2.gz WQZZQAXWIZQYKN-OAHLLOKOSA-N 1 0 387.343 2.616 20 0 GFADRO COC(=O)c1ccc(C[N@@H+]2C[C@@H](C)[C@](C)(C(=O)OC)C2)c(Br)c1 ZINC000556616189 564831891 /nfs/dbraw/zinc/83/18/91/564831891.db2.gz IDORXEIPHNUPOJ-PIGZYNQJSA-N 1 0 384.270 2.867 20 0 GFADRO O=C(NC[C@H]1COCC[NH2+]1)N1CCCC[C@@H]1Cc1ccccc1Br ZINC000529375078 564832044 /nfs/dbraw/zinc/83/20/44/564832044.db2.gz BRMYHYSXSRJLJJ-JKSUJKDBSA-N 1 0 396.329 2.544 20 0 GFADRO COC(=O)c1cn(CC[NH2+][C@@H]2CCc3c2cc(Br)cc3Cl)nn1 ZINC000556608040 564832276 /nfs/dbraw/zinc/83/22/76/564832276.db2.gz DLZWJORNBHALRP-CYBMUJFWSA-N 1 0 399.676 2.758 20 0 GFADRO O=C(c1sc2ncccc2c1Cl)N1CCC[C@H](C[N@H+]2CC[C@@H](O)C2)C1 ZINC000529398219 564834312 /nfs/dbraw/zinc/83/43/12/564834312.db2.gz JDWITITZAYGWFT-CHWSQXEVSA-N 1 0 379.913 2.869 20 0 GFADRO [NH3+]CC12CCC(CC1)CN2[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000582191787 564835462 /nfs/dbraw/zinc/83/54/62/564835462.db2.gz MDSGNERXZDIVCR-CRPOECCBSA-N 1 0 378.314 2.758 20 0 GFADRO CC[NH+]1CCC(CCNS(=O)(=O)c2cc(Br)ccc2F)CC1 ZINC000462399419 564837104 /nfs/dbraw/zinc/83/71/04/564837104.db2.gz WEQNFWIFRXYHGF-UHFFFAOYSA-N 1 0 393.322 2.989 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1ccc(Br)c(F)c1 ZINC000462424653 564839231 /nfs/dbraw/zinc/83/92/31/564839231.db2.gz ZTRCSZIHKFDSBQ-LLVKDONJSA-N 1 0 379.295 2.741 20 0 GFADRO C[C@H]1C[NH+](Cc2ccc(CNS(=O)(=O)c3ccsc3)cc2)C[C@H](C)O1 ZINC000556809126 564841188 /nfs/dbraw/zinc/84/11/88/564841188.db2.gz KWLZVCFNFIBPBG-GJZGRUSLSA-N 1 0 380.535 2.836 20 0 GFADRO Cc1nccn1C[C@H](C)C[NH2+]C[C@H](O)COc1cccc(Br)c1 ZINC000582355364 564842420 /nfs/dbraw/zinc/84/24/20/564842420.db2.gz IASHRHYMRSIXAC-CJNGLKHVSA-N 1 0 382.302 2.620 20 0 GFADRO Cc1cc(Br)cc(C)c1S(=O)(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000462496667 564843658 /nfs/dbraw/zinc/84/36/58/564843658.db2.gz SGKNNPXTSFHYBE-OCCSQVGLSA-N 1 0 375.332 2.827 20 0 GFADRO C[NH+]1CCC(CNC(=O)N[C@@H]2CCN(c3cccc(Br)c3)C2)CC1 ZINC000494916785 564843916 /nfs/dbraw/zinc/84/39/16/564843916.db2.gz VDXNYHGVMOFWPY-MRXNPFEDSA-N 1 0 395.345 2.669 20 0 GFADRO Cc1c2cc(Br)ccc2oc1C(=O)NC[C@@]1(O)C[NH+]2CCC1CC2 ZINC000556852569 564844146 /nfs/dbraw/zinc/84/41/46/564844146.db2.gz IKPRFLJHGMBZIM-GOSISDBHSA-N 1 0 393.281 2.690 20 0 GFADRO Cc1cc(Br)cn2cc(CC[NH2+][C@H]3CCC(=O)NC3(C)C)nc12 ZINC000494933384 564844990 /nfs/dbraw/zinc/84/49/90/564844990.db2.gz UXVVNUDERZPDMV-AWEZNQCLSA-N 1 0 379.302 2.595 20 0 GFADRO CSC1(CNC(=O)N2CCSC[C@H]2c2nccs2)CC[NH+](C)CC1 ZINC000462514536 564845426 /nfs/dbraw/zinc/84/54/26/564845426.db2.gz PZEWJKLAXKVYKM-ZDUSSCGKSA-N 1 0 386.612 2.770 20 0 GFADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@H](C)c1nc(C(F)(F)F)cs1 ZINC000495004616 564845848 /nfs/dbraw/zinc/84/58/48/564845848.db2.gz MQLRRODDRMQVIG-MNOVXSKESA-N 1 0 380.436 2.633 20 0 GFADRO COC(=O)c1cccc(NC(=O)N(C)CC[N@H+](C)C2CC2)c1Br ZINC000495035272 564846917 /nfs/dbraw/zinc/84/69/17/564846917.db2.gz BSVCYATZGGSLIT-UHFFFAOYSA-N 1 0 384.274 2.794 20 0 GFADRO C[C@H](C(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1)c1cccc(Br)c1 ZINC000462550325 564847227 /nfs/dbraw/zinc/84/72/27/564847227.db2.gz KHZWRFRYZODMAO-KBPBESRZSA-N 1 0 383.330 2.856 20 0 GFADRO Cc1nc(CCC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)oc1-c1ccc(Br)cc1 ZINC000495139850 564849806 /nfs/dbraw/zinc/84/98/06/564849806.db2.gz MLQCBQITXBJOSU-HALDLXJZSA-N 1 0 390.281 2.679 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000495251879 564851490 /nfs/dbraw/zinc/85/14/90/564851490.db2.gz XAJPPUSZZZKZTO-NVXWUHKLSA-N 1 0 395.345 2.811 20 0 GFADRO C[NH+](C)CCCCC(=O)Nc1ncn(Cc2cccc(Br)c2)n1 ZINC000557051885 564852267 /nfs/dbraw/zinc/85/22/67/564852267.db2.gz NQHUTAWRYMVKAH-UHFFFAOYSA-N 1 0 380.290 2.759 20 0 GFADRO C[C@H](C[NH+]1CCOCC1)C(=O)N[C@H]1C[C@H](c2ccc(Br)cc2)C1 ZINC000462618571 564853055 /nfs/dbraw/zinc/85/30/55/564853055.db2.gz CEAZMPGLQHRZOB-FRFSOERESA-N 1 0 381.314 2.780 20 0 GFADRO CC[NH+](CC)CC[C@@H](CO)NC(=O)Nc1ccc(OC)cc1Br ZINC000495502054 564854567 /nfs/dbraw/zinc/85/45/67/564854567.db2.gz NLGOOIKWAYLWJU-LBPRGKRZSA-N 1 0 388.306 2.672 20 0 GFADRO CS[C@@H]1CN(C(=O)c2cnn(-c3ccc(Cl)cc3)c2C)C[C@@H]1[NH+](C)C ZINC000495563805 564855565 /nfs/dbraw/zinc/85/55/65/564855565.db2.gz FHQMCEVDAVBUFO-DLBZAZTESA-N 1 0 378.929 2.952 20 0 GFADRO CS[C@@H]1CN(C(=O)c2cnn(-c3ccc(Cl)cc3)c2C)C[C@H]1[NH+](C)C ZINC000495563807 564855669 /nfs/dbraw/zinc/85/56/69/564855669.db2.gz FHQMCEVDAVBUFO-IAGOWNOFSA-N 1 0 378.929 2.952 20 0 GFADRO CS[C@H]1CN(C(=O)Cc2csc(Cc3ccccc3)n2)C[C@@H]1[NH+](C)C ZINC000495638729 564855688 /nfs/dbraw/zinc/85/56/88/564855688.db2.gz SARCNMRDPBZBSF-IRXDYDNUSA-N 1 0 375.563 2.780 20 0 GFADRO CS[C@@H]1CN(C(=O)C2=Cc3cc(Br)ccc3OC2)C[C@@H]1[NH+](C)C ZINC000495711743 564856857 /nfs/dbraw/zinc/85/68/57/564856857.db2.gz HEPBQGFZUSIPDC-GOEBONIOSA-N 1 0 397.338 2.729 20 0 GFADRO [NH3+]CC12CCC(CC1)CN2C(=O)c1cc(Br)c2c(c1)OCCO2 ZINC000582673251 564857156 /nfs/dbraw/zinc/85/71/56/564857156.db2.gz NWIQQRKJKWYUFI-UHFFFAOYSA-N 1 0 381.270 2.564 20 0 GFADRO CCN(CCC[NH+](C)C)C(=O)C(=O)N[C@H]1CCSc2ccc(Cl)cc21 ZINC000557208008 564857864 /nfs/dbraw/zinc/85/78/64/564857864.db2.gz DXKPGJGDTDARHN-HNNXBMFYSA-N 1 0 383.945 2.793 20 0 GFADRO O=S(=O)(NC[C@@H]1CCC[N@@H+](CCOc2ccc(Cl)c(F)c2)C1)C1CC1 ZINC000582718191 564858996 /nfs/dbraw/zinc/85/89/96/564858996.db2.gz CQEHXEXKXNHCTR-ZDUSSCGKSA-N 1 0 390.908 2.652 20 0 GFADRO CCCN(CC[NH+](C)C)C(=O)c1nnn(-c2cccc(Br)c2)c1C ZINC000496224554 564859850 /nfs/dbraw/zinc/85/98/50/564859850.db2.gz HUDMZETWECIJEI-UHFFFAOYSA-N 1 0 394.317 2.752 20 0 GFADRO C[NH+](C)C[C@@H](NC(=O)[C@@H]1CCc2nncn2C1)c1ccc(Cl)c(Cl)c1 ZINC000530035058 564861457 /nfs/dbraw/zinc/86/14/57/564861457.db2.gz YIRBQPAJSZFYEA-IUODEOHRSA-N 1 0 382.295 2.566 20 0 GFADRO C[C@H]([NH3+])C[C@H](C)NC(=O)NCc1ccc(I)c(Cl)c1 ZINC000582844242 564864228 /nfs/dbraw/zinc/86/42/28/564864228.db2.gz ZEBNWKBRTKYTTK-IUCAKERBSA-N 1 0 395.672 2.870 20 0 GFADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)NCCOc3cccc(Br)c3)[C@@H]2C1 ZINC000497397752 564866591 /nfs/dbraw/zinc/86/65/91/564866591.db2.gz UBQQSQVZPSBKOD-CZUORRHYSA-N 1 0 382.302 2.564 20 0 GFADRO CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N(C)Cc1cc(Cl)cc(Cl)c1 ZINC000557549820 564867312 /nfs/dbraw/zinc/86/73/12/564867312.db2.gz LJJLENKDTBFDJV-INIZCTEOSA-N 1 0 386.323 2.942 20 0 GFADRO C[NH+](C)CCN1CCN(C(=O)c2sc3ccccc3c2Br)CC1 ZINC000582937045 564868486 /nfs/dbraw/zinc/86/84/86/564868486.db2.gz KBFSSOBQGHRPFQ-UHFFFAOYSA-N 1 0 396.354 2.983 20 0 GFADRO COC(=O)[C@H](c1ccc(Cl)c(Cl)c1)N(C)CC[N@@H+]1CCCOCC1 ZINC000463092964 564869605 /nfs/dbraw/zinc/86/96/05/564869605.db2.gz ZHCPHIGOSVANPP-INIZCTEOSA-N 1 0 375.296 2.862 20 0 GFADRO Brc1ccc2nc(C[N@@H+]3CC[C@@H](CN4CCOCC4)C3)oc2c1 ZINC000463101572 564869833 /nfs/dbraw/zinc/86/98/33/564869833.db2.gz IQJFHAAVWUGICL-ZDUSSCGKSA-N 1 0 380.286 2.744 20 0 GFADRO CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)COC1CCC([NH3+])CC1 ZINC000582961305 564870152 /nfs/dbraw/zinc/87/01/52/564870152.db2.gz YIOSUOARPRYFEZ-UHFFFAOYSA-N 1 0 388.295 2.677 20 0 GFADRO CS(=O)(=O)NCC[N@H+](CC/C=C/c1ccc(Br)cc1)C1CC1 ZINC000463204913 564871950 /nfs/dbraw/zinc/87/19/50/564871950.db2.gz UARMJBPVIIMXEQ-DUXPYHPUSA-N 1 0 387.343 2.866 20 0 GFADRO CN(C)c1cc(Cl)cc(Cl)c1C[NH2+][C@@H]1CCC[C@@H]1CNS(C)(=O)=O ZINC000583053614 564873777 /nfs/dbraw/zinc/87/37/77/564873777.db2.gz KZKYIJLXBBVEQQ-IAQYHMDHSA-N 1 0 394.368 2.867 20 0 GFADRO C[N@@H+]1CC[C@@H](C(=O)NCc2ccc(I)cc2Cl)C1 ZINC000530316833 564876004 /nfs/dbraw/zinc/87/60/04/564876004.db2.gz ZJKHKCRFYOEQMW-SNVBAGLBSA-N 1 0 378.641 2.513 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)N1CCC(F)(F)[C@@H](CO)C1)c1ccc(Cl)cc1 ZINC000583118026 564876135 /nfs/dbraw/zinc/87/61/35/564876135.db2.gz PMNIYIZRNYTGPR-HIFRSBDPSA-N 1 0 375.847 2.602 20 0 GFADRO CSC1(CNc2ccc(S(N)(=O)=O)cc2C(F)(F)F)CC[NH+](C)CC1 ZINC000583176301 564879705 /nfs/dbraw/zinc/87/97/05/564879705.db2.gz GYUAUSVPWACDSZ-UHFFFAOYSA-N 1 0 397.488 2.592 20 0 GFADRO CC[N@H+](C[C@@H](C)OC)[C@@H](C)C(=O)Nc1ccc(I)cc1 ZINC000463419363 564880279 /nfs/dbraw/zinc/88/02/79/564880279.db2.gz VHOJVPAETQJERI-NEPJUHHUSA-N 1 0 390.265 2.975 20 0 GFADRO CCN1C[C@@H](C)N(S(=O)(=O)Cc2ccccc2Br)C[C@H]1C ZINC000557841481 564880839 /nfs/dbraw/zinc/88/08/39/564880839.db2.gz DKCCMKCDVWTWRM-CHWSQXEVSA-N 1 0 375.332 2.693 20 0 GFADRO [NH3+]Cc1cc(C(=O)NC[C@@H]2CCN(c3ccc(Br)cc3)C2)ccn1 ZINC000463477701 564882838 /nfs/dbraw/zinc/88/28/38/564882838.db2.gz JKLVTMBRBUASOT-ZDUSSCGKSA-N 1 0 389.297 2.559 20 0 GFADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)NCC(F)(F)c1ccc(Cl)cc1 ZINC000557868876 564883642 /nfs/dbraw/zinc/88/36/42/564883642.db2.gz LCZUQONGJDOEJY-HNNXBMFYSA-N 1 0 375.847 2.842 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NCc2cccc(Cl)c2Cl)[C@H](C)C1 ZINC000583277394 564884563 /nfs/dbraw/zinc/88/45/63/564884563.db2.gz SJDZTOJXIRAMMW-DOMZBBRYSA-N 1 0 386.323 2.798 20 0 GFADRO C[C@@H](O)[C@H]1CCC[N@H+](Cc2ccc(Br)cc2N2CCOCC2)C1 ZINC000530494617 564884904 /nfs/dbraw/zinc/88/49/04/564884904.db2.gz DTVSXSPTCVGDNM-CABCVRRESA-N 1 0 383.330 2.879 20 0 GFADRO CC[N@@H+]1CCC[C@H](CNC(=O)c2c(F)cccc2I)C1 ZINC000498071961 564887758 /nfs/dbraw/zinc/88/77/58/564887758.db2.gz UNYBSHSNUWYTLE-LLVKDONJSA-N 1 0 390.240 2.892 20 0 GFADRO C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000498091242 564888593 /nfs/dbraw/zinc/88/85/93/564888593.db2.gz GLHVZBYISIJNLK-VXGBXAGGSA-N 1 0 384.307 2.712 20 0 GFADRO CC[NH+](CC)CCNC(=O)N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000498121750 564889007 /nfs/dbraw/zinc/88/90/07/564889007.db2.gz VGDXKDIOPLIDKW-OAHLLOKOSA-N 1 0 387.311 2.740 20 0 GFADRO C[C@@H](NC(=O)Cc1cc(Cl)ccc1Cl)C(=O)NCC[NH+]1CCCCC1 ZINC000583394645 564889362 /nfs/dbraw/zinc/88/93/62/564889362.db2.gz JVINVVLEUPXWJN-CYBMUJFWSA-N 1 0 386.323 2.643 20 0 GFADRO CC(C)OCC[NH+]1CCN(Cc2cc3c(c(Br)c2)OCO3)CC1 ZINC000530623524 564889450 /nfs/dbraw/zinc/88/94/50/564889450.db2.gz UVDVVIPFAJTEMX-UHFFFAOYSA-N 1 0 385.302 2.720 20 0 GFADRO COCC[N@H+](C)CCCNC(=O)N[C@H](C)c1ccc(Br)cc1F ZINC000558064725 564891057 /nfs/dbraw/zinc/89/10/57/564891057.db2.gz NIZGGWVPAJDHLJ-GFCCVEGCSA-N 1 0 390.297 2.917 20 0 GFADRO [NH3+][C@@H](CC(F)F)C(=O)N1CCC[C@H]1c1ccccc1I ZINC000498216269 564892028 /nfs/dbraw/zinc/89/20/28/564892028.db2.gz NXKQCCHXCSCROU-RYUDHWBXSA-N 1 0 394.203 2.937 20 0 GFADRO COc1sc(C[NH2+][C@@H](C2CC2)[C@@]2(CO)CCCO2)cc1Br ZINC000583456787 564893082 /nfs/dbraw/zinc/89/30/82/564893082.db2.gz YCGHKMQJYNLNSR-ZFWWWQNUSA-N 1 0 376.316 2.929 20 0 GFADRO Brc1ccsc1C[N@H+](CCN1CCOCC1)C[C@H]1CCOC1 ZINC000558142784 564893918 /nfs/dbraw/zinc/89/39/18/564893918.db2.gz FPHJIZZIWLMTGG-CQSZACIVSA-N 1 0 389.359 2.681 20 0 GFADRO C[NH+](C)CCOC1CCN(C(=O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000498327272 564895419 /nfs/dbraw/zinc/89/54/19/564895419.db2.gz XMFFZUWVBNAMGA-UHFFFAOYSA-N 1 0 375.296 2.941 20 0 GFADRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1cc(Br)c2c(c1)OCCCO2 ZINC000498371450 564897552 /nfs/dbraw/zinc/89/75/52/564897552.db2.gz DATMQMMCPPEHJC-OCCSQVGLSA-N 1 0 383.286 2.615 20 0 GFADRO COC(=O)[C@@H](Cc1ccccc1)[C@H](C)[NH2+]Cc1c(Br)cnn1C ZINC000583646308 564901485 /nfs/dbraw/zinc/90/14/85/564901485.db2.gz RUNJBAAZPKFZDH-JSGCOSHPSA-N 1 0 380.286 2.693 20 0 GFADRO [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)NCc1cc(Br)cc2c1OCC2 ZINC000583682836 564902499 /nfs/dbraw/zinc/90/24/99/564902499.db2.gz JNNLMRMUXJIZGY-IUOZQUQDSA-N 1 0 394.313 2.699 20 0 GFADRO Cc1cc2ncc([C@@H](C)[NH2+]CCn3cc(Br)ccc3=O)c(C)n2n1 ZINC000583675910 564902582 /nfs/dbraw/zinc/90/25/82/564902582.db2.gz WTSWGIKJIKGIMX-GFCCVEGCSA-N 1 0 390.285 2.621 20 0 GFADRO C[C@H]1C[C@H](NC(=O)c2cc(=O)c3cc(Br)ccc3[nH]2)C[N@@H+]1C1CC1 ZINC000531244276 564904546 /nfs/dbraw/zinc/90/45/46/564904546.db2.gz IXQTYBIAXSKVKB-JQWIXIFHSA-N 1 0 390.281 2.646 20 0 GFADRO CC(C)[C@H](NC(=O)c1ccccc1Br)C(=O)N[C@@H](C)CC[NH+](C)C ZINC000498651512 564904985 /nfs/dbraw/zinc/90/49/85/564904985.db2.gz JODWONCKJIDFFG-BBRMVZONSA-N 1 0 398.345 2.660 20 0 GFADRO CCCC[N@H+](C)CCNC(=O)C(=O)Nc1cc(C)c(Br)cc1F ZINC000498660760 564905322 /nfs/dbraw/zinc/90/53/22/564905322.db2.gz UVXDLKAKJCYZBJ-UHFFFAOYSA-N 1 0 388.281 2.683 20 0 GFADRO CSc1ccc(S(=O)(=O)N2CCC(OCC[NH+](C)C)CC2)cc1Cl ZINC000464421380 564906676 /nfs/dbraw/zinc/90/66/76/564906676.db2.gz QTSRNVOUQAOQLZ-UHFFFAOYSA-N 1 0 392.974 2.793 20 0 GFADRO CC(C)[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1CC(=O)Nc2ccc(Br)cc21 ZINC000558581929 564906787 /nfs/dbraw/zinc/90/67/87/564906787.db2.gz KLEDXEPZTJSPLV-SMDDNHRTSA-N 1 0 382.302 2.720 20 0 GFADRO CN(C)S(=O)(=O)N1CCC[C@@H]([NH2+][C@H]2CC[C@@H](c3ccc(Cl)cc3)C2)C1 ZINC000583793118 564907742 /nfs/dbraw/zinc/90/77/42/564907742.db2.gz XIPXISASDAAUIA-BPQIPLTHSA-N 1 0 385.961 2.837 20 0 GFADRO COc1ncc([C@H](C)[NH2+]C[C@H]2CS(=O)(=O)c3ccccc3O2)cc1Cl ZINC000583811971 564909039 /nfs/dbraw/zinc/90/90/39/564909039.db2.gz JQSWJNGSTTWGEU-AAEUAGOBSA-N 1 0 382.869 2.629 20 0 GFADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc(Br)cnc2N(C)C)C1 ZINC000464569166 564910921 /nfs/dbraw/zinc/91/09/21/564910921.db2.gz MRJIRZYFFHQRPI-ZDUSSCGKSA-N 1 0 383.334 2.714 20 0 GFADRO CC(=O)N[C@H](CC(=O)N[C@@H](C)C[N@@H+](C)C(C)C)c1ccc(Br)cc1 ZINC000583904792 564911480 /nfs/dbraw/zinc/91/14/80/564911480.db2.gz MXMMJFUXSKWXAJ-SUMWQHHRSA-N 1 0 398.345 2.861 20 0 GFADRO C[N@@H+]1CCC[C@H](CNC(=O)C2CN(CC(F)(F)F)C2)[C@H]1c1cccs1 ZINC000498915699 564913711 /nfs/dbraw/zinc/91/37/11/564913711.db2.gz BFWQNLQVNAUIQL-DOMZBBRYSA-N 1 0 375.460 2.741 20 0 GFADRO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CC1(C(N)=O)CCCC1 ZINC000531711707 564918444 /nfs/dbraw/zinc/91/84/44/564918444.db2.gz QTZHINAPTFODSE-GFCCVEGCSA-N 1 0 382.302 2.802 20 0 GFADRO O=C(CCC(=O)c1cc(Cl)sc1Cl)NC[C@]1(O)C[NH+]2CCC1CC2 ZINC000584062395 564918767 /nfs/dbraw/zinc/91/87/67/564918767.db2.gz MUMFOZPILCSXIH-INIZCTEOSA-N 1 0 391.320 2.591 20 0 GFADRO C[C@@H](NC(=O)C[N@@H+]1CCC[C@]2(CNC(=O)C2)C1)c1ccc(Cl)c(Cl)c1 ZINC000464796048 564918775 /nfs/dbraw/zinc/91/87/75/564918775.db2.gz UBSLJZVPKGMEFS-XIKOKIGWSA-N 1 0 384.307 2.773 20 0 GFADRO O=S1(=O)C[C@H](C[NH2+]Cc2ccc(Br)s2)Oc2ccccc21 ZINC000584052814 564918927 /nfs/dbraw/zinc/91/89/27/564918927.db2.gz HPYBXPINPIVGQD-JTQLQIEISA-N 1 0 388.308 2.835 20 0 GFADRO CSCC[C@@H](CO)NC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000531743533 564919101 /nfs/dbraw/zinc/91/91/01/564919101.db2.gz UIQLWYMAKWPDGF-WMLDXEAASA-N 1 0 385.961 2.890 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)C[N@H+]1C[C@H](C)[C@H](C)C1 ZINC000464831382 564919691 /nfs/dbraw/zinc/91/96/91/564919691.db2.gz AKCYCSICPPXFIC-OKILXGFUSA-N 1 0 396.329 2.742 20 0 GFADRO CC(=O)N[C@H](CC(=O)N1CCC[C@@H]1C[NH+](C)C)c1ccc(Br)cc1 ZINC000464923309 564920228 /nfs/dbraw/zinc/92/02/28/564920228.db2.gz WGJXAVGFLZVHSO-IAGOWNOFSA-N 1 0 396.329 2.569 20 0 GFADRO C[C@H]1CCN(C(=O)Cn2cc(Br)cn2)CC[N@@H+]1Cc1ccccc1 ZINC000464897029 564920525 /nfs/dbraw/zinc/92/05/25/564920525.db2.gz VODJSOMSLKXNCY-HNNXBMFYSA-N 1 0 391.313 2.769 20 0 GFADRO CN(C)C(=O)CC[NH+]1CCN(Cc2ccc(Br)cc2Cl)CC1 ZINC000532127381 564929571 /nfs/dbraw/zinc/92/95/71/564929571.db2.gz BGDUPTIVZGUBTJ-UHFFFAOYSA-N 1 0 388.737 2.698 20 0 GFADRO C[N@@H+]1CCC[C@@]2(CCN(C[C@@H](O)COc3ccc(Br)cc3)C2)C1 ZINC000559312058 564929749 /nfs/dbraw/zinc/92/97/49/564929749.db2.gz NUWZJPRQEWOIRE-SJLPKXTDSA-N 1 0 383.330 2.607 20 0 GFADRO C[C@@H](CNC(=O)NC[C@H]1CC[N@@H+](C2CC2)C1)Oc1ccc(Br)cc1 ZINC000465683824 564930703 /nfs/dbraw/zinc/93/07/03/564930703.db2.gz AOFMMNRSVVERIP-UONOGXRCSA-N 1 0 396.329 3.000 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000465931525 564934276 /nfs/dbraw/zinc/93/42/76/564934276.db2.gz GRXOLOKJCUVMNM-DOTOQJQBSA-N 1 0 395.345 2.811 20 0 GFADRO C[C@H]1C[C@H](NC(=O)C(=O)Nc2ccc(Cl)c(Br)c2)CC[N@@H+]1C ZINC000532297184 564934345 /nfs/dbraw/zinc/93/43/45/564934345.db2.gz GGOCWDBLCHWQIA-GXSJLCMTSA-N 1 0 388.693 2.640 20 0 GFADRO O[C@H](C[NH2+]Cc1ccc2c(c1)OCCO2)COc1cccc(Br)c1 ZINC000559595289 564936490 /nfs/dbraw/zinc/93/64/90/564936490.db2.gz WURMBQSQCMSXKX-OAHLLOKOSA-N 1 0 394.265 2.750 20 0 GFADRO CN(C)c1ncc(Br)cc1C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000499807539 564937173 /nfs/dbraw/zinc/93/71/73/564937173.db2.gz LGOSYYNCMXOICT-AWEZNQCLSA-N 1 0 381.318 2.611 20 0 GFADRO C[C@@H](CNC(=O)C(=O)NCc1cccc(Cl)c1Cl)[NH+]1CCC(C)CC1 ZINC000559631876 564937382 /nfs/dbraw/zinc/93/73/82/564937382.db2.gz OYTYBIWORZMEAJ-ZDUSSCGKSA-N 1 0 386.323 2.846 20 0 GFADRO CCOC(=O)CCNC(=O)[C@H](c1ccc(Br)cc1)N1CCCC1 ZINC000466332268 564938369 /nfs/dbraw/zinc/93/83/69/564938369.db2.gz CAPQBDPOHSABSY-INIZCTEOSA-N 1 0 383.286 2.655 20 0 GFADRO C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)NCc2ccsc2)[C@@H]1c1cccs1 ZINC000559730310 564938708 /nfs/dbraw/zinc/93/87/08/564938708.db2.gz NNGFAIYEANFJBZ-GOEBONIOSA-N 1 0 377.535 2.625 20 0 GFADRO C[N@H+](CC(=O)NCc1cc2cc(Br)ccc2[nH]1)[C@H]1CCSC1 ZINC000466414765 564940316 /nfs/dbraw/zinc/94/03/16/564940316.db2.gz RROGKPXWPLXINM-AWEZNQCLSA-N 1 0 382.327 2.984 20 0 GFADRO Cc1ccc(C[NH2+][C@H]2CCC[C@@H](S(C)(=O)=O)C2)c(-n2cc(Cl)cn2)n1 ZINC000559903822 564942171 /nfs/dbraw/zinc/94/21/71/564942171.db2.gz NBDFCNALFCSNQN-JKSUJKDBSA-N 1 0 382.917 2.675 20 0 GFADRO NC(=O)[C@H](c1ccc(Br)cc1)N1CCC([NH+]2CCCCC2)CC1 ZINC000532919633 564949981 /nfs/dbraw/zinc/94/99/81/564949981.db2.gz VZZYIXLYOPEYLG-KRWDZBQOSA-N 1 0 380.330 2.926 20 0 GFADRO C[NH+](C)C[C@H]1CCCN1C(=O)c1cccc(F)c1I ZINC000533083766 564953412 /nfs/dbraw/zinc/95/34/12/564953412.db2.gz XKXCAEHEBBBWMG-SNVBAGLBSA-N 1 0 376.213 2.597 20 0 GFADRO COC(=O)c1ccc(C[NH2+]CCc2cccc(C(N)=O)c2)c(Br)c1 ZINC000560253403 564954151 /nfs/dbraw/zinc/95/41/51/564954151.db2.gz BMCLOFFUAYYCBH-UHFFFAOYSA-N 1 0 391.265 2.667 20 0 GFADRO C[N@@H+]1CCN(C(=O)c2cc(=O)[nH]c3c(Br)cccc23)C(C)(C)C1 ZINC000500485484 564955336 /nfs/dbraw/zinc/95/53/36/564955336.db2.gz VOQUUPKQKLSPEZ-UHFFFAOYSA-N 1 0 378.270 2.869 20 0 GFADRO CS(=O)(=O)NC[C@@H]1CCC[C@@H]1[NH2+]Cc1c[nH]nc1-c1ccc(Cl)cc1 ZINC000500530001 564955868 /nfs/dbraw/zinc/95/58/68/564955868.db2.gz OXCGYQAUYLFNQS-BBRMVZONSA-N 1 0 382.917 2.538 20 0 GFADRO C[N@H+](CC[C@@H]1CCCO1)C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000467146055 564956877 /nfs/dbraw/zinc/95/68/77/564956877.db2.gz BJBAGPRDGXAJSF-GJZGRUSLSA-N 1 0 376.266 2.829 20 0 GFADRO Cc1ccc(C[NH2+][C@H]2CCC[C@H]2CNS(C)(=O)=O)c(Br)c1 ZINC000500570850 564957329 /nfs/dbraw/zinc/95/73/29/564957329.db2.gz MPLDCTMNBVVVOA-ZFWWWQNUSA-N 1 0 375.332 2.565 20 0 GFADRO NS(=O)(=O)c1cccc(NC(=O)CC[N@@H+]2CCC[C@H]2c2cccs2)c1 ZINC000533223087 564958521 /nfs/dbraw/zinc/95/85/21/564958521.db2.gz CLCWJYOKXDUYPY-HNNXBMFYSA-N 1 0 379.507 2.561 20 0 GFADRO C[N@H+](CCC1CCOCC1)Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000533344567 564961285 /nfs/dbraw/zinc/96/12/85/564961285.db2.gz QGGNVSSWNYWACP-UHFFFAOYSA-N 1 0 380.286 2.706 20 0 GFADRO Cc1ncc([C@@H](C)[NH2+]CCCNS(=O)(=O)c2ccccc2Cl)c(C)n1 ZINC000467415861 564962236 /nfs/dbraw/zinc/96/22/36/564962236.db2.gz FKKFQXBQIHIGQG-GFCCVEGCSA-N 1 0 382.917 2.766 20 0 GFADRO CC1(C)[C@H]([NH2+]CCCNS(=O)(=O)c2ccccc2Cl)[C@H]2CCCO[C@@H]21 ZINC000467408704 564962717 /nfs/dbraw/zinc/96/27/17/564962717.db2.gz YHXGKYTUDBIDRP-XYPHTWIQSA-N 1 0 386.945 2.802 20 0 GFADRO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@@H](C)C(=O)N1CCCC1 ZINC000467406033 564962820 /nfs/dbraw/zinc/96/28/20/564962820.db2.gz OOOINJIXUBDADW-OLZOCXBDSA-N 1 0 382.302 2.767 20 0 GFADRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1S(=O)(=O)c1ccc(OC(F)(F)F)cc1 ZINC000560472139 564963979 /nfs/dbraw/zinc/96/39/79/564963979.db2.gz IZQXYDMZLTWETA-QWHCGFSZSA-N 1 0 378.416 2.833 20 0 GFADRO C[NH+]1CCN(CCC(C)(C)NS(=O)(=O)c2csc3ccccc32)CC1 ZINC000560468902 564964034 /nfs/dbraw/zinc/96/40/34/564964034.db2.gz OCBRROXCAGGMKQ-UHFFFAOYSA-N 1 0 381.567 2.596 20 0 GFADRO CC(C)(C(=O)NC[C@@H](O)C[NH+]1CCCCC1)c1ccccc1Br ZINC000467460930 564964100 /nfs/dbraw/zinc/96/41/00/564964100.db2.gz ZRWDMSIGEUTPCS-CQSZACIVSA-N 1 0 383.330 2.690 20 0 GFADRO CC[N@@H+]1CCC[C@@H](CNC(=O)Cc2cc3c(cc2Br)OCCO3)C1 ZINC000500847822 564964550 /nfs/dbraw/zinc/96/45/50/564964550.db2.gz SVTZJVKHVDRCAB-ZDUSSCGKSA-N 1 0 397.313 2.611 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)Cc2cc(=O)n3cc(Br)ccc3n2)[C@@H](C)C1 ZINC000533531171 564964682 /nfs/dbraw/zinc/96/46/82/564964682.db2.gz QZCPVAGAQVIQIS-BBRMVZONSA-N 1 0 393.329 2.619 20 0 GFADRO CC(C)[C@H](Oc1ccccc1Br)C(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000560483904 564964834 /nfs/dbraw/zinc/96/48/34/564964834.db2.gz ADAJADKLJGUJDU-VBQJREDUSA-N 1 0 381.314 2.920 20 0 GFADRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000560488623 564965482 /nfs/dbraw/zinc/96/54/82/564965482.db2.gz KWADJECKZRJGIT-CJNGLKHVSA-N 1 0 391.313 2.516 20 0 GFADRO CC[NH+](CC)CCSCC(=O)N1CCOC[C@@H]1CC(=O)c1cccs1 ZINC000467531448 564966467 /nfs/dbraw/zinc/96/64/67/564966467.db2.gz LMNOKCAEPCLCQR-HNNXBMFYSA-N 1 0 384.567 2.623 20 0 GFADRO CCC[NH+]1CCC(N(C)C(=O)N[C@@H](C)c2ncc(Br)cn2)CC1 ZINC000560533907 564966556 /nfs/dbraw/zinc/96/65/56/564966556.db2.gz GQADYIOQPLCDKN-LBPRGKRZSA-N 1 0 384.322 2.816 20 0 GFADRO CCCOc1c(Br)cc(C[NH2+]C[C@@H](C)S(C)(=O)=O)cc1OC ZINC000533588242 564967697 /nfs/dbraw/zinc/96/76/97/564967697.db2.gz QJDOCRLTDWQJKC-LLVKDONJSA-N 1 0 394.331 2.769 20 0 GFADRO Cc1nn(C)cc1[C@H](C)[NH2+]CCNS(=O)(=O)c1cccc(Cl)c1Cl ZINC000560574336 564968339 /nfs/dbraw/zinc/96/83/39/564968339.db2.gz PGQYIIQXXBYJJF-JTQLQIEISA-N 1 0 391.324 2.664 20 0 GFADRO CC[C@@]1(C(=O)NC[C@@H]2CCN(c3cccc(Br)c3)C2)CCC[NH2+]1 ZINC000467692161 564970155 /nfs/dbraw/zinc/97/01/55/564970155.db2.gz RMZSNFKOQLFZSB-KSSFIOAISA-N 1 0 380.330 2.924 20 0 GFADRO COCC[N@H+](C)CCCC1CCN(S(=O)(=O)c2nc(C)c(C)s2)CC1 ZINC000501181167 564972907 /nfs/dbraw/zinc/97/29/07/564972907.db2.gz XNGQTRKPBMRRBO-UHFFFAOYSA-N 1 0 389.587 2.519 20 0 GFADRO CC[C@@H](C(=O)N[C@H]1CCCN(c2ccc(Br)c(C)c2)C1=O)[NH+](C)C ZINC000468141669 564978550 /nfs/dbraw/zinc/97/85/50/564978550.db2.gz IDNRIOQLMVLZGJ-HOTGVXAUSA-N 1 0 396.329 2.709 20 0 GFADRO CS[C@@H]1CN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)C[C@@H]1[NH+](C)C ZINC000501416136 564978929 /nfs/dbraw/zinc/97/89/29/564978929.db2.gz KIYPHFHREODRAW-UONOGXRCSA-N 1 0 383.366 2.801 20 0 GFADRO CCn1c2ccccc2nc1SCC(=O)N1C[C@@H](SC)[C@H]([NH+](C)C)C1 ZINC000534093277 564979637 /nfs/dbraw/zinc/97/96/37/564979637.db2.gz GZBNGDVDHQOKRO-HZPDHXFCSA-N 1 0 378.567 2.652 20 0 GFADRO C/C(=C/c1ccccc1C(F)(F)F)C[NH2+]CC1(O)CCS(=O)(=O)CC1 ZINC000501447626 564980565 /nfs/dbraw/zinc/98/05/65/564980565.db2.gz JSWVXBKDRCJQGH-RAXLEYEMSA-N 1 0 377.428 2.638 20 0 GFADRO Cn1cccc1C(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000501749951 564985455 /nfs/dbraw/zinc/98/54/55/564985455.db2.gz WBASNTQEBGKTLD-UHFFFAOYSA-N 1 0 392.297 2.561 20 0 GFADRO O=C(N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)N(CCO)Cc1ccc(Cl)c(Cl)c1 ZINC000561223176 564988416 /nfs/dbraw/zinc/98/84/16/564988416.db2.gz FDWQEUZOGAVGGH-RBSFLKMASA-N 1 0 386.323 2.885 20 0 GFADRO CCc1n[nH]c(C(=O)N2CC([N@H+](C)Cc3ccccc3)C2)c1Br ZINC000561281381 564989718 /nfs/dbraw/zinc/98/97/18/564989718.db2.gz SBBKVTAKCHTEFU-UHFFFAOYSA-N 1 0 377.286 2.691 20 0 GFADRO CCC[N@H+](C)[C@@H](CNc1ncccc1S(N)(=O)=O)c1ccc(Cl)cc1 ZINC000561340836 564991527 /nfs/dbraw/zinc/99/15/27/564991527.db2.gz YNERMBYYNXBNPA-HNNXBMFYSA-N 1 0 382.917 2.877 20 0 GFADRO CC[C@@H](C)[N@H+](C)CCNC(=O)[C@@H]1CC(=O)Nc2ccc(Br)cc21 ZINC000468828486 564995123 /nfs/dbraw/zinc/99/51/23/564995123.db2.gz DCUMCJDMXQUKMI-BXUZGUMPSA-N 1 0 382.302 2.721 20 0 GFADRO C[C@H]([NH2+]C[C@H](O)CS(=O)(=O)c1cccs1)c1cnn(C2CCCC2)c1 ZINC000502385776 564997534 /nfs/dbraw/zinc/99/75/34/564997534.db2.gz FDMZURKMXCVANI-BBRMVZONSA-N 1 0 383.539 2.545 20 0 GFADRO O=S(=O)(Cc1ccon1)NCC[NH2+][C@@H](CC1CC1)c1ccc(Cl)cc1 ZINC000468909273 564998498 /nfs/dbraw/zinc/99/84/98/564998498.db2.gz JHCHXNUZJOKOGS-KRWDZBQOSA-N 1 0 383.901 2.878 20 0 GFADRO C[NH+](C)C[C@@](C)(O)CNC(=O)N[C@@H](c1ccc(Br)cc1)C1CCC1 ZINC000502510239 565000568 /nfs/dbraw/zinc/00/05/68/565000568.db2.gz ORYMBRXMWBSBAI-AEFFLSMTSA-N 1 0 398.345 2.902 20 0 GFADRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)CCc3cccc(Br)c3)[C@H]2C1 ZINC000502651408 565002694 /nfs/dbraw/zinc/00/26/94/565002694.db2.gz ZGYYMYUGROKMSC-DLBZAZTESA-N 1 0 381.314 2.703 20 0 GFADRO CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]CCc1cn2c(n1)SCC2 ZINC000469153508 565007563 /nfs/dbraw/zinc/00/75/63/565007563.db2.gz IBRMQUNPELWLRN-UHFFFAOYSA-N 1 0 385.942 2.768 20 0 GFADRO CCc1n[nH]c(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)c1Br ZINC000469234431 565009767 /nfs/dbraw/zinc/00/97/67/565009767.db2.gz JDTAXGITSNHZPJ-IUODEOHRSA-N 1 0 391.313 2.985 20 0 GFADRO C[C@H](CNC(=O)C[N@H+](C)[C@H]1CCSC1)Oc1ccccc1Br ZINC000535335058 565010783 /nfs/dbraw/zinc/01/07/83/565010783.db2.gz DVAPUNXYLGLZIB-OLZOCXBDSA-N 1 0 387.343 2.770 20 0 GFADRO COC(=O)[C@]1(C)C[N@H+](C[C@H](O)COc2c(Cl)cccc2Cl)C[C@H]1C ZINC000503197588 565013672 /nfs/dbraw/zinc/01/36/72/565013672.db2.gz SKHRZRGBBJGAIV-BWACUDIHSA-N 1 0 376.280 2.864 20 0 GFADRO CC(=O)NCC[N@@H+](Cc1ccc(Br)s1)C[C@@H]1CCCOC1 ZINC000503222682 565014898 /nfs/dbraw/zinc/01/48/98/565014898.db2.gz XUOWMTNMZAYNNB-ZDUSSCGKSA-N 1 0 375.332 2.875 20 0 GFADRO CCCN(CC[NH+](C)C)C(=O)[C@@H]1CC(=O)Nc2ccc(Br)cc21 ZINC000469375433 565015815 /nfs/dbraw/zinc/01/58/15/565015815.db2.gz PDGQOLALSSAOHQ-CQSZACIVSA-N 1 0 382.302 2.675 20 0 GFADRO CC(C)[NH+](CCN(C)c1ccc(S(N)(=O)=O)cc1C(F)(F)F)C(C)C ZINC000503257291 565016039 /nfs/dbraw/zinc/01/60/39/565016039.db2.gz WQJGWTYYQSZVLL-UHFFFAOYSA-N 1 0 381.464 2.908 20 0 GFADRO CS[C@H]1CN(S(=O)(=O)c2cc(Cl)sc2Cl)C[C@H]1[NH+](C)C ZINC000503244940 565016053 /nfs/dbraw/zinc/01/60/53/565016053.db2.gz SKMRIJOHEYLQDL-SFYZADRCSA-N 1 0 375.368 2.721 20 0 GFADRO C[NH+](C)C1(CNC(=O)c2ccc(Br)c3c2OCCC3)CCOCC1 ZINC000469422080 565017265 /nfs/dbraw/zinc/01/72/65/565017265.db2.gz KKQSFGATXKTTGW-UHFFFAOYSA-N 1 0 397.313 2.615 20 0 GFADRO CCN(CCO)CC[NH2+]Cc1cnc(-c2ccc(Br)cc2)s1 ZINC000469563928 565021001 /nfs/dbraw/zinc/02/10/01/565021001.db2.gz PSTSGZKMDVWQBC-UHFFFAOYSA-N 1 0 384.343 2.976 20 0 GFADRO C[C@H]1C[N@H+](C)[C@@H](C)CN1C(=O)C1(c2ccc(I)cc2)CC1 ZINC000503512831 565021892 /nfs/dbraw/zinc/02/18/92/565021892.db2.gz JSCKHECPVKKFKM-STQMWFEESA-N 1 0 398.288 2.874 20 0 GFADRO CC1(C)CN(CC[NH2+]Cc2cn(-c3cccc(Cl)c3Cl)nn2)CCO1 ZINC000535839349 565022733 /nfs/dbraw/zinc/02/27/33/565022733.db2.gz XCQJFQQOHLOOBC-UHFFFAOYSA-N 1 0 384.311 2.775 20 0 GFADRO CCC[N@@H+]1CC[C@H](CNC(=O)N[C@H](CO)c2ccc(Br)cc2)C1 ZINC000503645839 565024850 /nfs/dbraw/zinc/02/48/50/565024850.db2.gz WIGAOKZFQFCDAE-CZUORRHYSA-N 1 0 384.318 2.514 20 0 GFADRO CO[C@H](C)c1nc(CN2CCC[N@H+](C[C@@H](O)CC(F)(F)F)CC2)cs1 ZINC000469720636 565025651 /nfs/dbraw/zinc/02/56/51/565025651.db2.gz JMNIBXFSONKMLW-OCCSQVGLSA-N 1 0 381.464 2.672 20 0 GFADRO Cc1c(Br)cc(C(=O)N(C)CC[NH+](C(C)C)C(C)C)c(=O)n1C ZINC000469749024 565026085 /nfs/dbraw/zinc/02/60/85/565026085.db2.gz QHMVTPAHWLREQL-UHFFFAOYSA-N 1 0 386.334 2.647 20 0 GFADRO C[C@H](c1ccc(N2CCCS2(=O)=O)cc1)[N@H+](C)C[C@H](O)CC(F)(F)F ZINC000469777719 565026790 /nfs/dbraw/zinc/02/67/90/565026790.db2.gz AMWDJEHIMDMNSJ-IUODEOHRSA-N 1 0 380.432 2.533 20 0 GFADRO C[C@@H](NC(=O)NCC1(C[NH+](C)C)CCCC1)c1ncc(Br)cn1 ZINC000562401740 565028352 /nfs/dbraw/zinc/02/83/52/565028352.db2.gz XARRGPFCDZCSNB-GFCCVEGCSA-N 1 0 384.322 2.721 20 0 GFADRO COC(=O)C[C@@H](NC(=O)C[N@H+](C)[C@H]1CCSC1)c1ccc(SC)cc1 ZINC000536075698 565029037 /nfs/dbraw/zinc/02/90/37/565029037.db2.gz XLCPVJNXQXZARC-GOEBONIOSA-N 1 0 382.551 2.566 20 0 GFADRO CCc1[nH]nc(C(=O)Nc2cc(C)nn2C2CC[NH+](C)CC2)c1Br ZINC000562493528 565031253 /nfs/dbraw/zinc/03/12/53/565031253.db2.gz GMHBVIOHTQBFEC-UHFFFAOYSA-N 1 0 395.305 2.759 20 0 GFADRO C[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CC(=O)Nc3ccc(Br)cc32)CC1 ZINC000469994307 565035035 /nfs/dbraw/zinc/03/50/35/565035035.db2.gz SRGNDJYYLSLDHB-ZFWWWQNUSA-N 1 0 394.313 2.818 20 0 GFADRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N[C@H](CO)c1ccc(Br)cc1 ZINC000504111812 565035581 /nfs/dbraw/zinc/03/55/81/565035581.db2.gz RACSSIJZFAQJSG-CKEIUWERSA-N 1 0 398.345 2.902 20 0 GFADRO CC(C)[NH+](CCN(C)C(=O)c1cncc(I)c1)C(C)C ZINC000504140634 565035595 /nfs/dbraw/zinc/03/55/95/565035595.db2.gz MGKWSDPSQAUMER-UHFFFAOYSA-N 1 0 389.281 2.877 20 0 GFADRO C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@@H]2C[C@H]2c2ccc(Cl)cc2Cl)[C@H](C)C1 ZINC000504107784 565035721 /nfs/dbraw/zinc/03/57/21/565035721.db2.gz JTCCSBGVTUXGJP-PZNPJNSTSA-N 1 0 386.323 2.946 20 0 GFADRO O=S(=O)(c1ccc(OC(F)F)c(F)c1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000562615043 565036081 /nfs/dbraw/zinc/03/60/81/565036081.db2.gz APPGCSUFAJQETN-LBPRGKRZSA-N 1 0 378.416 2.676 20 0 GFADRO C[C@@H](Cn1cc(Br)cn1)[NH2+][C@H](CC(=O)N(C)C)c1ccccc1 ZINC000470173428 565040635 /nfs/dbraw/zinc/04/06/35/565040635.db2.gz LIXVQWBGBISXOA-XJKSGUPXSA-N 1 0 379.302 2.843 20 0 GFADRO CN1CCN(C(=O)Nc2cc(C(F)(F)F)ccc2Br)[C@@H](C[NH3+])C1 ZINC000562762602 565041794 /nfs/dbraw/zinc/04/17/94/565041794.db2.gz LEHDTYDEHBQPCA-JTQLQIEISA-N 1 0 395.223 2.575 20 0 GFADRO C[C@@H]1[C@H](C)N(C(=O)CCNC(=O)Nc2ccc(Br)cc2)CC[N@H+]1C ZINC000536606330 565042788 /nfs/dbraw/zinc/04/27/88/565042788.db2.gz IXBFVDHGRMPIKM-OLZOCXBDSA-N 1 0 397.317 2.512 20 0 GFADRO C[NH+](C)CCc1ccccc1NC(=O)NCc1ccc(S(C)(=O)=O)s1 ZINC000470489478 565047802 /nfs/dbraw/zinc/04/78/02/565047802.db2.gz ICXOABWNQQMCNQ-UHFFFAOYSA-N 1 0 381.523 2.577 20 0 GFADRO C[C@@H]([NH2+]Cc1cn(C)nc1C(F)(F)F)c1cccc(NS(C)(=O)=O)c1 ZINC000536839169 565048425 /nfs/dbraw/zinc/04/84/25/565048425.db2.gz MPEAVWMHIAMBGB-SNVBAGLBSA-N 1 0 376.404 2.661 20 0 GFADRO O=S(=O)(CC[NH2+][C@H]1CCN(c2ncccc2Cl)C1)c1ccc(F)cc1 ZINC000562992319 565051434 /nfs/dbraw/zinc/05/14/34/565051434.db2.gz UHFKQKNQXOVEQI-AWEZNQCLSA-N 1 0 383.876 2.516 20 0 GFADRO Cc1cccc2nc(C[NH2+]C[C@H](O)COc3cccc(Br)c3)cn21 ZINC000563000268 565051562 /nfs/dbraw/zinc/05/15/62/565051562.db2.gz UFIHLSKEUSDPSJ-INIZCTEOSA-N 1 0 390.281 2.935 20 0 GFADRO CCOCC[C@@H](O)C[NH2+]C1CCN(Cc2cccc(Br)c2)CC1 ZINC000563008401 565052195 /nfs/dbraw/zinc/05/21/95/565052195.db2.gz XVTRIGJLBCKWSV-GOSISDBHSA-N 1 0 385.346 2.791 20 0 GFADRO C[C@@H](CNC(=O)C1(c2cccc(Br)c2)CC(=O)C1)C[NH+]1CCCC1 ZINC000537213081 565055194 /nfs/dbraw/zinc/05/51/94/565055194.db2.gz NLQFLAJVUYSXBR-AWEZNQCLSA-N 1 0 393.325 2.898 20 0 GFADRO CC[C@H](C)[C@H]([NH3+])C(=O)NCc1cc(Cl)cc(I)c1 ZINC000563099566 565055994 /nfs/dbraw/zinc/05/59/94/565055994.db2.gz ICZWDUQPRHYONZ-UFBFGSQYSA-N 1 0 380.657 2.934 20 0 GFADRO Cc1c(C(=O)N[C@@H]2C[NH2+]CCC2(F)F)cnn1-c1cccc(Br)c1 ZINC000563115706 565056050 /nfs/dbraw/zinc/05/60/50/565056050.db2.gz JEGJYOYTNJQYAU-CQSZACIVSA-N 1 0 399.239 2.670 20 0 GFADRO COc1cc(C(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc(Br)c1OC ZINC000563100172 565056062 /nfs/dbraw/zinc/05/60/62/565056062.db2.gz RWZFGCNOCQEMKY-CHWSQXEVSA-N 1 0 397.313 2.928 20 0 GFADRO CC(=O)Nc1ccc(S(=O)(=O)N(CCC[NH3+])CC2CCCC2)cc1Cl ZINC000563128663 565056433 /nfs/dbraw/zinc/05/64/33/565056433.db2.gz HNIOTVBUNKTPJC-UHFFFAOYSA-N 1 0 387.933 2.828 20 0 GFADRO Cc1cc(Br)cn2c(CN3C[C@@H](C[NH3+])C4(C3)CCOCC4)cnc12 ZINC000563135448 565056919 /nfs/dbraw/zinc/05/69/19/565056919.db2.gz MFVSIPFDTACGTR-CQSZACIVSA-N 1 0 393.329 2.593 20 0 GFADRO O=C(NC1(c2cccc(Br)c2)CCOCC1)[C@H]1CC12CC[NH2+]CC2 ZINC000563154573 565057401 /nfs/dbraw/zinc/05/74/01/565057401.db2.gz QBFTYLMMLASBPM-MRXNPFEDSA-N 1 0 393.325 2.961 20 0 GFADRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)N[C@H](CO)c2cccc(Br)c2)C1 ZINC000537608235 565060497 /nfs/dbraw/zinc/06/04/97/565060497.db2.gz AGPBTIVRQJXYNO-XJKSGUPXSA-N 1 0 384.318 2.512 20 0 GFADRO CC[NH+]1CCN([C@H]2CCN(C(=O)NCc3cc(Cl)sc3Cl)C2)CC1 ZINC000537809025 565063726 /nfs/dbraw/zinc/06/37/26/565063726.db2.gz MZKFTQVOLQSEEQ-ZDUSSCGKSA-N 1 0 391.368 2.976 20 0 GFADRO C[N@@H+]1CC[C@H](CC(=O)N2CCO[C@@H](c3ccc(F)c(Br)c3)C2)C1 ZINC000635814558 565076458 /nfs/dbraw/zinc/07/64/58/565076458.db2.gz PUMHUGKRZQQNHQ-MLGOLLRUSA-N 1 0 385.277 2.830 20 0 GFADRO [NH3+]C[C@@H]1CN(S(=O)(=O)Cc2c(Cl)cccc2Cl)CC12CCOCC2 ZINC000584351262 565077421 /nfs/dbraw/zinc/07/74/21/565077421.db2.gz YJWGIZFXZDANMR-GFCCVEGCSA-N 1 0 393.336 2.511 20 0 GFADRO C[NH+](C)CC1(C(=O)Nc2cc(Br)cc(C(=O)N3CCCC3)c2)CC1 ZINC000635874332 565078682 /nfs/dbraw/zinc/07/86/82/565078682.db2.gz NFUWHWFBAJJLBG-UHFFFAOYSA-N 1 0 394.313 2.965 20 0 GFADRO C[C@@H](C[NH2+][C@H](C)c1ccc(Br)c(S(N)(=O)=O)c1)c1ccncc1 ZINC000684676831 565079404 /nfs/dbraw/zinc/07/94/04/565079404.db2.gz HQVQFCFKZBCJJG-NWDGAFQWSA-N 1 0 398.326 2.946 20 0 GFADRO CC[NH+](CC)CC[C@H](CO)NC(=O)c1cc(Cl)ccc1Br ZINC000584555863 565087882 /nfs/dbraw/zinc/08/78/82/565087882.db2.gz ABAPAMMMPDPKFT-GFCCVEGCSA-N 1 0 377.710 2.925 20 0 GFADRO C[NH2+]C[C@@H]1CCCN(C(=O)CNC(=O)c2sc3ccccc3c2Cl)C1 ZINC000584589785 565089658 /nfs/dbraw/zinc/08/96/58/565089658.db2.gz QSBVYWWECIMNAO-LBPRGKRZSA-N 1 0 379.913 2.743 20 0 GFADRO C[N@@H+]1CCCC[C@@H]1C(=O)N1CCN(Cc2cc(Br)ccc2F)CC1 ZINC000684996315 565092610 /nfs/dbraw/zinc/09/26/10/565092610.db2.gz RERXHUDMEPHYJB-QGZVFWFLSA-N 1 0 398.320 2.717 20 0 GFADRO O=C(CSCC1CC[NH2+]CC1)N1CCN(Cc2cccc(Cl)c2)CC1 ZINC000584716640 565093677 /nfs/dbraw/zinc/09/36/77/565093677.db2.gz HRXREPKTAXWMER-UHFFFAOYSA-N 1 0 381.973 2.717 20 0 GFADRO C[NH+](C)C[C@@]1(O)CCCN(C(=O)CCCc2ccccc2Br)C1 ZINC000614066907 565094029 /nfs/dbraw/zinc/09/40/29/565094029.db2.gz LYPOHJVDPOMMMQ-SFHVURJKSA-N 1 0 383.330 2.687 20 0 GFADRO C[NH+](C)C[C@]1(O)CCCN(C(=O)c2cnc(-c3ccccc3Cl)s2)C1 ZINC000614069459 565094316 /nfs/dbraw/zinc/09/43/16/565094316.db2.gz XPHNUDKKKOUHNW-GOSISDBHSA-N 1 0 379.913 2.992 20 0 GFADRO O=C(CC[N@@H+]1CCC[C@H](n2ccnn2)C1)Nc1ccc(Br)cc1F ZINC000584776571 565097620 /nfs/dbraw/zinc/09/76/20/565097620.db2.gz FUARPTRCXDKTQD-ZDUSSCGKSA-N 1 0 396.264 2.845 20 0 GFADRO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]Cc2cncc(Br)c2C)c1 ZINC000657345254 565097770 /nfs/dbraw/zinc/09/77/70/565097770.db2.gz LVIPOKHLCATXMW-GFCCVEGCSA-N 1 0 398.326 2.911 20 0 GFADRO Cc1c(Br)cncc1C[NH2+]C[C@H](O)COc1ccc(F)c(F)c1 ZINC000657349843 565098194 /nfs/dbraw/zinc/09/81/94/565098194.db2.gz OGQUEYSMEQEKNC-LBPRGKRZSA-N 1 0 387.224 2.960 20 0 GFADRO COCCc1ccc(OC[C@H](O)C[NH2+]Cc2cncc(Br)c2)cc1 ZINC000657531652 565105966 /nfs/dbraw/zinc/10/59/66/565105966.db2.gz NDYNHWBFUWBKMP-QGZVFWFLSA-N 1 0 395.297 2.563 20 0 GFADRO CC[C@H]1C[N@H+](C)CCCN1C(=O)c1cc(=O)c2cc(Br)ccc2[nH]1 ZINC000614335503 565108285 /nfs/dbraw/zinc/10/82/85/565108285.db2.gz PSDQNWWOMXZXKT-ZDUSSCGKSA-N 1 0 392.297 2.847 20 0 GFADRO CC[C@H]1C[N@H+](C)CCCN1C(=O)c1cnc2ccc(Br)cc2c1O ZINC000614328974 565108682 /nfs/dbraw/zinc/10/86/82/565108682.db2.gz CHGOZCDQOQVGKQ-ZDUSSCGKSA-N 1 0 392.297 2.847 20 0 GFADRO O=C(Nc1cccc(Br)c1F)C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000657556557 565108928 /nfs/dbraw/zinc/10/89/28/565108928.db2.gz OIZWFVYKZYZTMT-UHFFFAOYSA-N 1 0 398.276 2.614 20 0 GFADRO CCC[N@H+](CC)Cc1ccc(C(=O)Nc2csc(S(N)(=O)=O)c2)cc1 ZINC000636401205 565110726 /nfs/dbraw/zinc/11/07/26/565110726.db2.gz NRMSSKXEGOWHAW-UHFFFAOYSA-N 1 0 381.523 2.880 20 0 GFADRO COc1ccc(N2C[C@H]([NH2+]Cc3ccc(Br)cn3)CC2=O)cc1 ZINC000657603582 565112776 /nfs/dbraw/zinc/11/27/76/565112776.db2.gz UEQPNLXJOPSEKK-CQSZACIVSA-N 1 0 376.254 2.748 20 0 GFADRO CN(C)S(=O)(=O)N1CCC[N@H+](Cc2ccc(-c3cccs3)cc2)CC1 ZINC000685603622 565113965 /nfs/dbraw/zinc/11/39/65/565113965.db2.gz JEJTYTIUVYUQNA-UHFFFAOYSA-N 1 0 379.551 2.729 20 0 GFADRO C[C@H]1CC[C@@H]([NH2+]Cc2cnn(-c3ccc(Br)cc3)c2)CS1(=O)=O ZINC000657639401 565115586 /nfs/dbraw/zinc/11/55/86/565115586.db2.gz SCEQUDGHFKAJED-SWLSCSKDSA-N 1 0 398.326 2.690 20 0 GFADRO O=C(NC[C@@H]1C[N@@H+]2CCN1CCC2)c1cc(Br)c2ccccc2c1 ZINC000614504355 565115910 /nfs/dbraw/zinc/11/59/10/565115910.db2.gz TZZNLFHAZKEQQW-MRXNPFEDSA-N 1 0 388.309 2.722 20 0 GFADRO CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)C[NH2+][C@@H]1CSC[C@H]1C ZINC000586779908 565116737 /nfs/dbraw/zinc/11/67/37/565116737.db2.gz NNVLDLGONZRQSD-BXKDBHETSA-N 1 0 384.523 2.715 20 0 GFADRO CN(C)c1cc(Cl)cc(Cl)c1C[NH2+]C[C@H]1CCCN1S(C)(=O)=O ZINC000685619400 565117712 /nfs/dbraw/zinc/11/77/12/565117712.db2.gz FGVVHNAUIYLYMD-GFCCVEGCSA-N 1 0 380.341 2.573 20 0 GFADRO Cc1ccc(-n2cnnc2SCC(=O)NCC[N@@H+](C)C(C)C)cc1Cl ZINC000586842986 565119302 /nfs/dbraw/zinc/11/93/02/565119302.db2.gz OXSLAQRVBMZZAU-UHFFFAOYSA-N 1 0 381.933 2.778 20 0 GFADRO OC(C[NH2+]Cc1cn(-c2ccccc2Br)nn1)(C1CC1)C1CC1 ZINC000657699512 565120821 /nfs/dbraw/zinc/12/08/21/565120821.db2.gz LNPFUCKANMZBRX-UHFFFAOYSA-N 1 0 377.286 2.671 20 0 GFADRO C[C@@H](Cn1cncn1)NC(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000636689322 565121197 /nfs/dbraw/zinc/12/11/97/565121197.db2.gz WAUAVNKNOZOTPM-NHYWBVRUSA-N 1 0 385.299 2.576 20 0 GFADRO COC(=O)c1cc(Cl)cc(Cl)c1N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000587979625 565121736 /nfs/dbraw/zinc/12/17/36/565121736.db2.gz WBWKSKIYGTVTFP-AWEZNQCLSA-N 1 0 386.323 2.996 20 0 GFADRO Brc1cc2c(cc1CNC1CC[NH+]([C@@H]3CCOC3)CC1)OCO2 ZINC000657751361 565125632 /nfs/dbraw/zinc/12/56/32/565125632.db2.gz RBFGEOUAUFPGEL-CQSZACIVSA-N 1 0 383.286 2.521 20 0 GFADRO CC(C)[C@@H](CNC(=O)CCn1cc(Br)cn1)[NH+]1CCC(C)CC1 ZINC000614653237 565126057 /nfs/dbraw/zinc/12/60/57/565126057.db2.gz AJCPFOYDPZUKOK-MRXNPFEDSA-N 1 0 385.350 2.908 20 0 GFADRO CCC[N@@H+]1CC[C@@H](NCc2cc(Br)ccc2O[C@H](C)C(=O)NC)C1 ZINC000657742309 565126670 /nfs/dbraw/zinc/12/66/70/565126670.db2.gz POAHRRZGFZUAPE-CZUORRHYSA-N 1 0 398.345 2.536 20 0 GFADRO C[NH+](C)[C@]1(CNC(=O)N[C@@H](CCO)c2ccc(Cl)c(F)c2)CCSC1 ZINC000636905989 565130095 /nfs/dbraw/zinc/13/00/95/565130095.db2.gz ONZWOQAUKOZBRB-RDJZCZTQSA-N 1 0 389.924 2.639 20 0 GFADRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1ccccc1I ZINC000588185487 565130332 /nfs/dbraw/zinc/13/03/32/565130332.db2.gz JMQVGWHOGFEYMZ-DOMZBBRYSA-N 1 0 384.261 2.990 20 0 GFADRO Cc1ccccc1[C@H]([C@H](C)Nc1cnn(C)c(=O)c1Br)[NH+](C)C ZINC000685921208 565131577 /nfs/dbraw/zinc/13/15/77/565131577.db2.gz OHGDSBUKRAIIQE-LRDDRELGSA-N 1 0 379.302 2.955 20 0 GFADRO C[NH+]1CCC2(CCN(C(=O)c3c[nH]c4ncc(Br)cc34)C2)CC1 ZINC000614962796 565140145 /nfs/dbraw/zinc/14/01/45/565140145.db2.gz IWONGJMNSNOBMX-UHFFFAOYSA-N 1 0 377.286 2.883 20 0 GFADRO Cc1c(Br)cccc1NC(=O)C(=O)NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000589005345 565146608 /nfs/dbraw/zinc/14/66/08/565146608.db2.gz OKLNLUUGUMZXJY-ZDUSSCGKSA-N 1 0 382.302 2.543 20 0 GFADRO CN(C(=O)NC[C@H]1CCC[NH2+]C1)[C@H]1CCOc2ccc(Br)cc21 ZINC000637239920 565146677 /nfs/dbraw/zinc/14/66/77/565146677.db2.gz FPKZJUXWEPFTNE-WFASDCNBSA-N 1 0 382.302 2.914 20 0 GFADRO O=C(NCC[NH2+][C@H]1CCc2cc(F)ccc21)c1ccc(Br)cn1 ZINC000658092765 565150665 /nfs/dbraw/zinc/15/06/65/565150665.db2.gz QVHSBFAHTGXOIM-HNNXBMFYSA-N 1 0 378.245 2.990 20 0 GFADRO OCCO[C@@]1(C[NH2+][C@H]2CCSc3ccc(Br)cc32)CCOC1 ZINC000658149559 565153048 /nfs/dbraw/zinc/15/30/48/565153048.db2.gz UASZNTAUFQYGLB-GOEBONIOSA-N 1 0 388.327 2.744 20 0 GFADRO COc1cc(C[N@H+](C)C[C@H](O)C2CC2)cc(I)c1OC ZINC000589197980 565154694 /nfs/dbraw/zinc/15/46/94/565154694.db2.gz HJPHEKJQUYBKQA-ZDUSSCGKSA-N 1 0 391.249 2.511 20 0 GFADRO C[C@H](C(=O)N1CCOC[C@H]1[C@@H]1CCC[N@@H+]1C)c1ccc(Br)cc1 ZINC000615270833 565154813 /nfs/dbraw/zinc/15/48/13/565154813.db2.gz SFTUHSPIWRNSAP-JQFCIGGWSA-N 1 0 381.314 2.874 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCc2cc(Br)cnc2OC)C[C@H]1C ZINC000637407132 565155616 /nfs/dbraw/zinc/15/56/16/565155616.db2.gz SSWISNNKVPXAKK-IUODEOHRSA-N 1 0 399.333 2.867 20 0 GFADRO COc1ccc(CN2CC[NH+](C[C@H]3CCCO3)CC2)c(Br)c1OC ZINC000615339966 565157298 /nfs/dbraw/zinc/15/72/98/565157298.db2.gz BSPPUVZZOVFMGN-OAHLLOKOSA-N 1 0 399.329 2.763 20 0 GFADRO CCN(CCOCCO)C(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000637472690 565159389 /nfs/dbraw/zinc/15/93/89/565159389.db2.gz HEVVGXMPSKDATG-INIZCTEOSA-N 1 0 392.327 2.637 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCCCN1S(=O)(=O)c1cc(Cl)cc(Br)c1 ZINC000658362941 565161995 /nfs/dbraw/zinc/16/19/95/565161995.db2.gz IQVCDXDDUYOSNG-ZANVPECISA-N 1 0 381.723 2.993 20 0 GFADRO CCCOc1ccc(Br)cc1S(=O)(=O)N[C@@H]1CCC[NH2+][C@@H]1C ZINC000658378490 565164725 /nfs/dbraw/zinc/16/47/25/565164725.db2.gz RGGODELFSZNCPC-DGCLKSJQSA-N 1 0 391.331 2.657 20 0 GFADRO CCCN(CC[NH+]1CCCCC1)C(=O)NCc1c(Br)cnn1C ZINC000637629795 565165554 /nfs/dbraw/zinc/16/55/54/565165554.db2.gz IWEDLZWKWMMABZ-UHFFFAOYSA-N 1 0 386.338 2.590 20 0 GFADRO [NH3+][C@@H]1CN(S(=O)(=O)Cc2cc(F)ccc2Cl)C[C@H]1c1cccc(F)c1 ZINC000658382316 565166055 /nfs/dbraw/zinc/16/60/55/565166055.db2.gz AYNIBGZQXJJTLI-DOTOQJQBSA-N 1 0 386.851 2.875 20 0 GFADRO CC1(C)C[NH2+]CC[C@@H]1NS(=O)(=O)c1cc(Cl)ccc1OC(F)(F)F ZINC000658381602 565166155 /nfs/dbraw/zinc/16/61/55/565166155.db2.gz VRIIIBNVUXDTTF-LBPRGKRZSA-N 1 0 386.823 2.905 20 0 GFADRO COc1ccc(Br)c(CC(=O)N2CCC[C@@]3(CC[N@H+](C)C3)C2)c1 ZINC000615613761 565168208 /nfs/dbraw/zinc/16/82/08/565168208.db2.gz XXLUKIWOFHLLLY-SFHVURJKSA-N 1 0 381.314 2.945 20 0 GFADRO O=C(NCC[C@@H]1CCC[NH2+]C1)N1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000637770997 565172098 /nfs/dbraw/zinc/17/20/98/565172098.db2.gz PLPDRLVVJUZWRG-YOEHRIQHSA-N 1 0 396.329 2.922 20 0 GFADRO CN(CC1C[NH+](C)C1)C(=O)C(=O)N(Cc1ccc(Cl)c(Cl)c1)C1CC1 ZINC000658504701 565174484 /nfs/dbraw/zinc/17/44/84/565174484.db2.gz OOBSVQPROQGHBA-UHFFFAOYSA-N 1 0 384.307 2.504 20 0 GFADRO [NH3+][C@H]1CC=C(C(=O)N2CCC(C(=O)Nc3ccc(Br)cc3)CC2)C1 ZINC000637968365 565178104 /nfs/dbraw/zinc/17/81/04/565178104.db2.gz AWYIJBWKCVGNFK-HNNXBMFYSA-N 1 0 392.297 2.674 20 0 GFADRO C[C@H](CNC(=O)c1cnc(C[NH3+])nc1)Sc1ccc(Br)cc1 ZINC000637989934 565179890 /nfs/dbraw/zinc/17/98/90/565179890.db2.gz BEKOPMYIETVZHY-SNVBAGLBSA-N 1 0 381.299 2.608 20 0 GFADRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)C(=O)NCc2ccc(Cl)c(Cl)c2)C1 ZINC000658644133 565180766 /nfs/dbraw/zinc/18/07/66/565180766.db2.gz MKRMQQUJIKURCC-CJNGLKHVSA-N 1 0 384.307 2.552 20 0 GFADRO CC[C@H](C)[NH+]1CCN(C(=O)[C@@H]2CCO[C@H]2c2cncc(Br)c2)CC1 ZINC000615983790 565182983 /nfs/dbraw/zinc/18/29/83/565182983.db2.gz DVJRKMRFXSLNJY-XKQJLSEDSA-N 1 0 396.329 2.864 20 0 GFADRO O=C(CSCc1ccc(Cl)cc1Cl)N[C@H](CO)C[NH+]1CCCC1 ZINC000590372335 565185451 /nfs/dbraw/zinc/18/54/51/565185451.db2.gz NVTVEOFDGHBEPX-AWEZNQCLSA-N 1 0 377.337 2.800 20 0 GFADRO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1cc(F)ccc1I ZINC000590403223 565186636 /nfs/dbraw/zinc/18/66/36/565186636.db2.gz JNUJKXHGIHSFPU-RNCFNFMXSA-N 1 0 376.213 2.595 20 0 GFADRO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)c1ccc(I)c(F)c1 ZINC000590402651 565187131 /nfs/dbraw/zinc/18/71/31/565187131.db2.gz GDUNCXSDGIZADS-NOZJJQNGSA-N 1 0 376.213 2.595 20 0 GFADRO C[C@@H](CCCC[NH3+])NC(=O)[C@H]1CCC(=O)N1Cc1ccc(Br)cc1 ZINC000638242082 565190071 /nfs/dbraw/zinc/19/00/71/565190071.db2.gz ARQPGJNMQFEQCD-XJKSGUPXSA-N 1 0 396.329 2.574 20 0 GFADRO O=C(c1cc(Br)c2nccn2c1)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000638262791 565190100 /nfs/dbraw/zinc/19/01/00/565190100.db2.gz NSHCCGBTKYQWFW-CHWSQXEVSA-N 1 0 377.286 2.559 20 0 GFADRO CC[NH+]1CCN(CCCNC(=O)c2c[nH]c3ccc(Br)cc23)CC1 ZINC000590500295 565190678 /nfs/dbraw/zinc/19/06/78/565190678.db2.gz WMAZPXZXVCAAMZ-UHFFFAOYSA-N 1 0 393.329 2.688 20 0 GFADRO [NH3+]Cc1ncc(C(=O)N2CCC(c3ccccc3Br)CC2)cn1 ZINC000638304815 565191191 /nfs/dbraw/zinc/19/11/91/565191191.db2.gz LBBJFVFVWLCVKD-UHFFFAOYSA-N 1 0 375.270 2.718 20 0 GFADRO CC(C)CC[C@H]([NH3+])C(=O)NCc1nc(-c2cccc(Br)c2)no1 ZINC000638323561 565192131 /nfs/dbraw/zinc/19/21/31/565192131.db2.gz KDGNOHBOEDQRTJ-ZDUSSCGKSA-N 1 0 381.274 2.879 20 0 GFADRO CC(C)CC[C@H]([NH3+])C(=O)NCc1noc(-c2cccc(Br)c2)n1 ZINC000638324389 565192277 /nfs/dbraw/zinc/19/22/77/565192277.db2.gz PJSKYZWUWIJRBU-ZDUSSCGKSA-N 1 0 381.274 2.879 20 0 GFADRO CN(C)[C@@H](C[NH2+]Cc1cnn2cc(Br)cnc12)c1ccsc1 ZINC000638327011 565192351 /nfs/dbraw/zinc/19/23/51/565192351.db2.gz BQMWHLFTPXMRAN-AWEZNQCLSA-N 1 0 380.315 2.946 20 0 GFADRO [NH3+][C@@H]1CN(C(=O)c2c(F)cncc2Br)C[C@H]1c1cccc(F)c1 ZINC000638340959 565192551 /nfs/dbraw/zinc/19/25/51/565192551.db2.gz GVSVEMUBIKTUGI-SMDDNHRTSA-N 1 0 382.208 2.689 20 0 GFADRO COc1cc(C(=O)N2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)ccc1Br ZINC000638338604 565192748 /nfs/dbraw/zinc/19/27/48/565192748.db2.gz CLHCEGIVZUXSTG-NVXWUHKLSA-N 1 0 397.313 2.816 20 0 GFADRO [NH3+][C@@H]1CN(C(=O)c2c(F)cncc2Br)C[C@H]1c1ccccc1F ZINC000638348648 565192925 /nfs/dbraw/zinc/19/29/25/565192925.db2.gz RBEYKIAILPWGDA-IINYFYTJSA-N 1 0 382.208 2.689 20 0 GFADRO CO[C@@H]1C[NH2+][C@@](C)(C(=O)N[C@H]2C[C@H](c3ccc(F)c(Br)c3)C2)C1 ZINC000638325580 565192963 /nfs/dbraw/zinc/19/29/63/565192963.db2.gz IEYJMXDNHXUKDU-NEULZYRMSA-N 1 0 385.277 2.717 20 0 GFADRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)c2cc(Br)cc3[nH]c(=O)[nH]c32)C1 ZINC000616158586 565193044 /nfs/dbraw/zinc/19/30/44/565193044.db2.gz ZDECBQAFALCLEU-NSHDSACASA-N 1 0 381.274 2.586 20 0 GFADRO COc1nsc(C[NH2+]C[C@H]2CCN(CC(F)(F)F)C2)c1Br ZINC000638380768 565193916 /nfs/dbraw/zinc/19/39/16/565193916.db2.gz DMBUKRBZMAOFMZ-MRVPVSSYSA-N 1 0 388.253 2.888 20 0 GFADRO COCCOc1cccc(C[NH2+]Cc2cnn3cc(Br)cnc23)c1 ZINC000638381996 565194043 /nfs/dbraw/zinc/19/40/43/565194043.db2.gz PXKOUXUWNPLZAI-UHFFFAOYSA-N 1 0 391.269 2.807 20 0 GFADRO CO[C@H](C[NH2+]C[C@@H]1CCN(c2ccc(Br)cc2)C1)[C@@H]1CCOC1 ZINC000638407833 565195517 /nfs/dbraw/zinc/19/55/17/565195517.db2.gz XWAXLIKYWJIHRE-HDMKZQKVSA-N 1 0 383.330 2.917 20 0 GFADRO Cc1cc(C(=O)N2CC[C@@H](C)[C@@H]([NH3+])C2)nn1-c1ccc(Br)cc1 ZINC000658970009 565197293 /nfs/dbraw/zinc/19/72/93/565197293.db2.gz CMHRMIKWSZRLCP-ABAIWWIYSA-N 1 0 377.286 2.753 20 0 GFADRO C[C@@H](C[C@H]1CCCC(=O)N1)[NH2+]CCCNC(=O)c1cccc(Br)c1 ZINC000638476871 565198178 /nfs/dbraw/zinc/19/81/78/565198178.db2.gz POITYSGSVLBOHD-XJKSGUPXSA-N 1 0 396.329 2.606 20 0 GFADRO [NH3+]C[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H](Sc2ccc(Br)cc2)C1 ZINC000638474159 565198258 /nfs/dbraw/zinc/19/82/58/565198258.db2.gz PVAIQAKTKZZHGZ-KKUMJFAQSA-N 1 0 385.327 2.506 20 0 GFADRO C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)Nc2cc(Cl)ccc2Cl)CCO1 ZINC000658998189 565198303 /nfs/dbraw/zinc/19/83/03/565198303.db2.gz NNRZXOQMIFXCNL-CYBMUJFWSA-N 1 0 388.295 2.501 20 0 GFADRO COCCOc1ccc(Br)cc1NC(=O)NCC1([NH3+])CCCC1 ZINC000659007367 565198455 /nfs/dbraw/zinc/19/84/55/565198455.db2.gz NTQQUEQRXOAFRW-UHFFFAOYSA-N 1 0 386.290 2.867 20 0 GFADRO CN(CC[NH+]1CCCC1)C(=O)c1ccc(-n2cc(Br)cn2)cc1 ZINC000590739562 565198626 /nfs/dbraw/zinc/19/86/26/565198626.db2.gz QUYVOTFKJRFRCI-UHFFFAOYSA-N 1 0 377.286 2.803 20 0 GFADRO Cc1cc(Br)c(Cl)cc1NC(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000659027883 565199364 /nfs/dbraw/zinc/19/93/64/565199364.db2.gz LUCCXSIQIKYBKV-JTQLQIEISA-N 1 0 375.698 2.518 20 0 GFADRO [NH3+]C[C@@H](NC(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1)C(F)(F)F ZINC000659024739 565199577 /nfs/dbraw/zinc/19/95/77/565199577.db2.gz IVCPNEQQTZCTRF-GFCCVEGCSA-N 1 0 385.217 2.715 20 0 GFADRO CC(C)(C)n1cc(Br)c(C(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)n1 ZINC000638529268 565200210 /nfs/dbraw/zinc/20/02/10/565200210.db2.gz NCSISGQDCRHOGE-DZGCQCFKSA-N 1 0 391.313 2.886 20 0 GFADRO CSc1cc(Cl)ccc1NC(=O)C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000659078550 565200243 /nfs/dbraw/zinc/20/02/43/565200243.db2.gz TWIWEEPPKNCJEC-UHFFFAOYSA-N 1 0 381.929 2.991 20 0 GFADRO Cc1cc(C(=O)NCC2([NH3+])CCOCC2)c2cc(Br)ccc2n1 ZINC000638538872 565200308 /nfs/dbraw/zinc/20/03/08/565200308.db2.gz AOLFDPCLSMCZMN-UHFFFAOYSA-N 1 0 378.270 2.543 20 0 GFADRO COc1cccc2c1OC[C@@H]([NH2+]Cc1cnn3cc(Br)cnc13)C2 ZINC000638518725 565200538 /nfs/dbraw/zinc/20/05/38/565200538.db2.gz IPCCCVBIXBXHAJ-AWEZNQCLSA-N 1 0 389.253 2.594 20 0 GFADRO COC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@H](C)C(=O)N(C)Cc1ccc(Br)cc1 ZINC000590753332 565200990 /nfs/dbraw/zinc/20/09/90/565200990.db2.gz NEVXWNNEBRARMC-WQVCFCJDSA-N 1 0 397.313 2.727 20 0 GFADRO CSc1cc(Cl)ccc1NC(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000659082570 565200925 /nfs/dbraw/zinc/20/09/25/565200925.db2.gz YORFEJLMBQEYIN-AWEZNQCLSA-N 1 0 381.929 2.991 20 0 GFADRO C[C@H](CC(=O)N1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1)n1cc(Br)cn1 ZINC000638556716 565201316 /nfs/dbraw/zinc/20/13/16/565201316.db2.gz DXOONGQXDLNLRU-JFGNBEQYSA-N 1 0 397.239 2.582 20 0 GFADRO Cc1cc(Br)c(Cl)cc1NC(=O)C(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000659088779 565201444 /nfs/dbraw/zinc/20/14/44/565201444.db2.gz PJRNDOAPUHIJTP-IUCAKERBSA-N 1 0 376.682 2.591 20 0 GFADRO Cc1cc(Br)c(Cl)cc1NC(=O)C(=O)N[C@H]1CC[NH2+][C@@H](C)C1 ZINC000659086437 565201669 /nfs/dbraw/zinc/20/16/69/565201669.db2.gz WJJQXFHARCPWLG-UWVGGRQHSA-N 1 0 388.693 2.606 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)Cc2ccccc2Br)CC[C@@H]1C(F)(F)F ZINC000638547271 565201987 /nfs/dbraw/zinc/20/19/87/565201987.db2.gz AJZHKZXVNKWISL-RYUDHWBXSA-N 1 0 379.220 2.977 20 0 GFADRO C[NH+](C)CC[C@H](N)C(=O)N[C@H]1CCCSc2ccc(Br)cc21 ZINC000638586342 565202479 /nfs/dbraw/zinc/20/24/79/565202479.db2.gz QKTAYTCAQJWEIU-KBPBESRZSA-N 1 0 386.359 2.771 20 0 GFADRO C[NH+](C)CC[C@@H](N)C(=O)N[C@@H]1CCCSc2ccc(Br)cc21 ZINC000638586345 565202490 /nfs/dbraw/zinc/20/24/90/565202490.db2.gz QKTAYTCAQJWEIU-ZIAGYGMSSA-N 1 0 386.359 2.771 20 0 GFADRO Cc1nc([C@@H]2CCOC2)sc1C(=O)N1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000638560486 565202887 /nfs/dbraw/zinc/20/28/87/565202887.db2.gz DYAYRTZRMKYLNP-GRYCIOLGSA-N 1 0 377.432 2.555 20 0 GFADRO COc1ncc(Br)cc1CNC(=O)[C@H](C)[C@H]([NH3+])c1ccccc1 ZINC000638561358 565203327 /nfs/dbraw/zinc/20/33/27/565203327.db2.gz RVDXGGKXAGWUIB-ABAIWWIYSA-N 1 0 378.270 2.805 20 0 GFADRO CN(C)[C@H](C(=O)N1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1)c1cccc(Cl)c1 ZINC000638561628 565203365 /nfs/dbraw/zinc/20/33/65/565203365.db2.gz WNBUWGBKDMPQLW-SNPRPXQTSA-N 1 0 377.838 2.928 20 0 GFADRO CC(C)C[N@H+](C)CCCNC(=O)c1cc(Br)cc2[nH]c(=O)[nH]c21 ZINC000616511946 565204414 /nfs/dbraw/zinc/20/44/14/565204414.db2.gz RCMAUDLCPHFCRF-UHFFFAOYSA-N 1 0 383.290 2.739 20 0 GFADRO Cc1cc(C(=O)NC2(C[NH3+])CCOCC2)nn1-c1ccc(Cl)c(Cl)c1 ZINC000638631264 565205501 /nfs/dbraw/zinc/20/55/01/565205501.db2.gz LYWJCSDPJLKMBE-UHFFFAOYSA-N 1 0 383.279 2.725 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+]C2(c3ccc(Cl)cc3)CCOCC2)s1 ZINC000638627666 565205606 /nfs/dbraw/zinc/20/56/06/565205606.db2.gz SGXDSUYAYGURRF-UHFFFAOYSA-N 1 0 386.926 2.844 20 0 GFADRO CC1(C)CN(C(=O)C2C[C@@H]3C[NH2+]C[C@H](C2)C3=O)c2ccc(Br)cc21 ZINC000638685665 565206389 /nfs/dbraw/zinc/20/63/89/565206389.db2.gz DWIYBRSBJFFCNX-YHWZYXNKSA-N 1 0 391.309 2.888 20 0 GFADRO Cc1cc(Br)c(C(=O)N(C)CCOCC[NH3+])cc1Br ZINC000638670221 565207327 /nfs/dbraw/zinc/20/73/27/565207327.db2.gz JSNJKERRFPDJJW-UHFFFAOYSA-N 1 0 394.107 2.567 20 0 GFADRO Cc1noc(C2CCC([NH2+]Cc3cnn4cc(Br)cnc34)CC2)n1 ZINC000638719938 565207936 /nfs/dbraw/zinc/20/79/36/565207936.db2.gz RNWAKPYEDJGTLL-UHFFFAOYSA-N 1 0 391.273 2.999 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCN(C)[C@H](c2ccc(Br)cc2)C1)[C@H]1CN(C)CCO1 ZINC000638761662 565209703 /nfs/dbraw/zinc/20/97/03/565209703.db2.gz HQBIFHWTUXBZSW-KLIQENQMSA-N 1 0 396.373 2.893 20 0 GFADRO O=C(Cc1ccccc1Br)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000638778974 565210856 /nfs/dbraw/zinc/21/08/56/565210856.db2.gz PZWNTQOLQVZOGP-INIZCTEOSA-N 1 0 381.314 2.609 20 0 GFADRO C[NH+](C)CCN(Cc1ccsc1)C(=O)NCc1ccc([S@@](C)=O)cc1 ZINC000590930606 565210884 /nfs/dbraw/zinc/21/08/84/565210884.db2.gz CVEKLQIOGCYMFZ-RUZDIDTESA-N 1 0 379.551 2.759 20 0 GFADRO O=C(Nc1ccc2c(c1)C[NH2+]CCO2)c1sc2c(c1Br)CNC2 ZINC000659314339 565211529 /nfs/dbraw/zinc/21/15/29/565211529.db2.gz WEJNSOLHGOHKEJ-UHFFFAOYSA-N 1 0 394.294 2.848 20 0 GFADRO O=C(N[C@@H]1CC12CC[NH2+]CC2)c1cc(-c2cccc(Br)c2)no1 ZINC000659312167 565211602 /nfs/dbraw/zinc/21/16/02/565211602.db2.gz CJJVYDBHMNRQNN-OAHLLOKOSA-N 1 0 376.254 2.976 20 0 GFADRO O=C(N[C@H]1CC12CC[NH2+]CC2)c1cc(-c2cccc(Br)c2)no1 ZINC000659312165 565212150 /nfs/dbraw/zinc/21/21/50/565212150.db2.gz CJJVYDBHMNRQNN-HNNXBMFYSA-N 1 0 376.254 2.976 20 0 GFADRO CC(C)c1n[nH]c(C(=O)NCc2cccc3c2CC[NH2+]C3)c1Br ZINC000638842759 565214255 /nfs/dbraw/zinc/21/42/55/565214255.db2.gz AWZKCXVEEXWROD-UHFFFAOYSA-N 1 0 377.286 2.871 20 0 GFADRO O=C(N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1)c1ccncc1Br ZINC000659350020 565214568 /nfs/dbraw/zinc/21/45/68/565214568.db2.gz QOKBBFLUVZYFTE-ZBEGNZNMSA-N 1 0 396.235 2.998 20 0 GFADRO COc1ncc(C(=O)Nc2ccc([C@@H]3C[NH2+]CCO3)cc2)cc1Br ZINC000659366304 565214585 /nfs/dbraw/zinc/21/45/85/565214585.db2.gz JCMDBYDQYZLPDL-HNNXBMFYSA-N 1 0 392.253 2.766 20 0 GFADRO O=C(NCc1cccc2c1CC[NH2+]C2)c1sc2c(c1Br)CNC2 ZINC000638845727 565215184 /nfs/dbraw/zinc/21/51/84/565215184.db2.gz JKIIBGWOLHJZOH-UHFFFAOYSA-N 1 0 392.322 2.690 20 0 GFADRO O=C([C@@H]1CCC[NH2+]1)N1CCc2cc(Br)c(Br)cc2C1 ZINC000659383381 565215204 /nfs/dbraw/zinc/21/52/04/565215204.db2.gz PVGSJACKYWXENU-ZDUSSCGKSA-N 1 0 388.103 2.848 20 0 GFADRO [NH3+][C@@H]1CN(C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3Cl)C2)CC[C@H]1F ZINC000659484575 565217932 /nfs/dbraw/zinc/21/79/32/565217932.db2.gz PBUJWUKOGKVTDL-MRVWCRGKSA-N 1 0 375.275 2.653 20 0 GFADRO [NH3+][C@H]1CCC[C@H](NC(=O)N2CCN(c3ccc(Br)cc3)CC2)C1 ZINC000659534980 565219066 /nfs/dbraw/zinc/21/90/66/565219066.db2.gz CIWQUBOUAOIVTR-GJZGRUSLSA-N 1 0 381.318 2.551 20 0 GFADRO [NH3+]C[C@H]1CC[C@H](NC(=O)c2cc(=O)c3cc(Br)ccc3[nH]2)CC1 ZINC000638949208 565219092 /nfs/dbraw/zinc/21/90/92/565219092.db2.gz XVHIIDYQTWAXQV-UMSPYCQHSA-N 1 0 378.270 2.538 20 0 GFADRO O=C(NC[C@@H]1CCC[NH2+]C1)N1CCOC[C@H]1c1ccc(Br)cc1 ZINC000659509160 565219269 /nfs/dbraw/zinc/21/92/69/565219269.db2.gz DWBUMPRHSPACRW-CJNGLKHVSA-N 1 0 382.302 2.532 20 0 GFADRO [NH3+]C1(CNC(=O)N2CCO[C@H](c3ccc(Br)cc3)C2)CCCC1 ZINC000659570618 565220440 /nfs/dbraw/zinc/22/04/40/565220440.db2.gz JXDIGIHDLPQWKO-HNNXBMFYSA-N 1 0 382.302 2.804 20 0 GFADRO [NH3+]CC1(CCNC(=O)N2CCOC[C@H]2c2ccc(Br)cc2)CC1 ZINC000659559462 565220592 /nfs/dbraw/zinc/22/05/92/565220592.db2.gz NHXOCDFKAYRBKP-HNNXBMFYSA-N 1 0 382.302 2.661 20 0 GFADRO COc1ccc(I)c(NC(=O)N2CCC(C)([NH3+])CC2)c1 ZINC000591282839 565221036 /nfs/dbraw/zinc/22/10/36/565221036.db2.gz UKZOKAIDNMXOPF-UHFFFAOYSA-N 1 0 389.237 2.645 20 0 GFADRO CC(C)[C@H](NC(=O)c1ccccc1Br)C(=O)N[C@H]1CC[C@H]([NH3+])CC1 ZINC000639023228 565221057 /nfs/dbraw/zinc/22/10/57/565221057.db2.gz VUOTYSMHFBJQPF-XEZPLFJOSA-N 1 0 396.329 2.590 20 0 GFADRO C[NH2+]C[C@H]1CCCN1C(=O)Nc1cc(C(=O)OC)c(F)cc1Br ZINC000591287230 565221147 /nfs/dbraw/zinc/22/11/47/565221147.db2.gz FLHQJTXNZKPZSW-SECBINFHSA-N 1 0 388.237 2.591 20 0 GFADRO CC(C)[C@H]([NH3+])CCNC(=O)N1CCOC[C@@H]1c1ccc(Br)cc1 ZINC000659620054 565221174 /nfs/dbraw/zinc/22/11/74/565221174.db2.gz FZESMAZHNBDGIG-HZPDHXFCSA-N 1 0 384.318 2.905 20 0 GFADRO CC(C)[NH2+][C@@H]1CCCN(C(=O)Cc2ccc(I)cc2)C1 ZINC000617106126 565221663 /nfs/dbraw/zinc/22/16/63/565221663.db2.gz MWKUCHNSJPTULT-OAHLLOKOSA-N 1 0 386.277 2.823 20 0 GFADRO COCC[C@H](Cc1ccco1)[NH2+]Cc1cnn2cc(Br)cnc12 ZINC000639037021 565221822 /nfs/dbraw/zinc/22/18/22/565221822.db2.gz YHNWOWJMHQXAEW-CQSZACIVSA-N 1 0 379.258 2.822 20 0 GFADRO CO[C@@H](C[NH2+]CCC(=O)Nc1ccc(Br)cc1C)[C@@H]1CCOC1 ZINC000639042517 565222148 /nfs/dbraw/zinc/22/21/48/565222148.db2.gz XVMNEXPHSWMLAY-CJNGLKHVSA-N 1 0 385.302 2.727 20 0 GFADRO CC[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)N[C@H](C)C[NH2+]C)CC1 ZINC000659647917 565222325 /nfs/dbraw/zinc/22/23/25/565222325.db2.gz YRXLLFNGECBHFW-PBHICJAKSA-N 1 0 397.361 2.835 20 0 GFADRO CC(C)N(Cc1cccc(Br)c1)C(=O)C(=O)NCC1([NH3+])CCCC1 ZINC000659733897 565222599 /nfs/dbraw/zinc/22/25/99/565222599.db2.gz YJVPOPCUXLKOMV-UHFFFAOYSA-N 1 0 396.329 2.574 20 0 GFADRO COc1ccc(NC(=O)N[C@H]2CCC[NH2+]CC2)c(I)c1 ZINC000591302047 565222967 /nfs/dbraw/zinc/22/29/67/565222967.db2.gz LLNTWAPNKUBQPB-JTQLQIEISA-N 1 0 389.237 2.563 20 0 GFADRO CCOC(=O)c1cc(Br)ccc1NC(=O)N1CCC[C@H](C[NH3+])C1 ZINC000591292828 565223022 /nfs/dbraw/zinc/22/30/22/565223022.db2.gz CTLMZEWOCJYXBX-LLVKDONJSA-N 1 0 384.274 2.828 20 0 GFADRO COc1ccc(NC(=O)N[C@@H]2CCC[NH2+]CC2)c(I)c1 ZINC000591302048 565223085 /nfs/dbraw/zinc/22/30/85/565223085.db2.gz LLNTWAPNKUBQPB-SNVBAGLBSA-N 1 0 389.237 2.563 20 0 GFADRO O=C1C[C@@H]([NH2+]Cc2cnn3cc(Br)cnc23)CN1C1CCCCC1 ZINC000639059444 565223140 /nfs/dbraw/zinc/22/31/40/565223140.db2.gz KSTJURIZKLRJGR-CQSZACIVSA-N 1 0 392.301 2.515 20 0 GFADRO COC(=O)c1cc(NC(=O)NC[C@H]2CCCC[NH2+]2)c(C)cc1Br ZINC000591306845 565223712 /nfs/dbraw/zinc/22/37/12/565223712.db2.gz KVZLZZSUVDIQCT-LLVKDONJSA-N 1 0 384.274 2.808 20 0 GFADRO CC(C)(CO)[C@@H]([NH2+]Cc1ccc(Cl)c(S(N)(=O)=O)c1)c1ccccc1 ZINC000639110573 565226567 /nfs/dbraw/zinc/22/65/67/565226567.db2.gz PLMPNQRPAYUTNL-KRWDZBQOSA-N 1 0 382.913 2.837 20 0 GFADRO [NH3+]C/C=C/CNC(=O)N1CCC[C@@H]1c1ccc(I)cc1 ZINC000591361048 565226928 /nfs/dbraw/zinc/22/69/28/565226928.db2.gz YTMFASQZCWXEJO-VSZDKKFSSA-N 1 0 385.249 2.653 20 0 GFADRO Cc1cc(CNC(=O)NC[C@H]2CCCC[NH2+]2)ccc1I ZINC000591357854 565227418 /nfs/dbraw/zinc/22/74/18/565227418.db2.gz VHWNMSBFXOFTNP-CYBMUJFWSA-N 1 0 387.265 2.541 20 0 GFADRO CCS(=O)(=O)N1CCC([C@@H](C)[N@H+](C)Cc2ccc(C(F)F)nc2)CC1 ZINC000639185221 565231947 /nfs/dbraw/zinc/23/19/47/565231947.db2.gz JSYOKLRYSQXDFB-CYBMUJFWSA-N 1 0 375.485 2.901 20 0 GFADRO Brc1cnc2c(C[NH2+]Cc3ccnc(N4CCCC4)c3)cnn2c1 ZINC000639189267 565231956 /nfs/dbraw/zinc/23/19/56/565231956.db2.gz QDCSFYPDPACYHF-UHFFFAOYSA-N 1 0 387.285 2.777 20 0 GFADRO CC[NH+](CC)CCN(CCC(F)(F)F)S(=O)(=O)c1ccc(N)cc1F ZINC000659925127 565232233 /nfs/dbraw/zinc/23/22/33/565232233.db2.gz NLZMJQFINSVEIF-UHFFFAOYSA-N 1 0 385.427 2.693 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)c2cc(Br)cc3[nH]c(=O)[nH]c32)C1 ZINC000617342947 565233769 /nfs/dbraw/zinc/23/37/69/565233769.db2.gz IYTMKOIFLOXFHJ-JTQLQIEISA-N 1 0 381.274 2.634 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)c2cc(=O)c3cc(Br)ccc3[nH]2)C1 ZINC000617349450 565234011 /nfs/dbraw/zinc/23/40/11/565234011.db2.gz OUTGAFTZZHUBHU-GFCCVEGCSA-N 1 0 392.297 2.893 20 0 GFADRO COc1ccc(Br)c(S(=O)(=O)N2CCCC[C@H]2C[NH+](C)C)c1 ZINC000660009068 565238034 /nfs/dbraw/zinc/23/80/34/565238034.db2.gz LMIAVGGBGBXCLC-LBPRGKRZSA-N 1 0 391.331 2.563 20 0 GFADRO C[N@@H+]1CCC[C@H]2CN(CC(=O)c3c[nH]c4ncc(Br)cc34)CC[C@@H]21 ZINC000660013420 565239569 /nfs/dbraw/zinc/23/95/69/565239569.db2.gz XKONMROJXOUSOF-LRDDRELGSA-N 1 0 391.313 2.924 20 0 GFADRO Brc1cnc2c(CNC[C@@H]3CC[N@@H+]3C3CCCCC3)cnn2c1 ZINC000639345207 565240328 /nfs/dbraw/zinc/24/03/28/565240328.db2.gz INNCXYUOWRUQFG-INIZCTEOSA-N 1 0 378.318 2.988 20 0 GFADRO C[NH+](C)C[C@H](NCc1ccc(S(N)(=O)=O)o1)c1ccc(Cl)c(Cl)c1 ZINC000639352114 565240379 /nfs/dbraw/zinc/24/03/79/565240379.db2.gz NCQSJRUKNYCNQJ-AWEZNQCLSA-N 1 0 392.308 2.626 20 0 GFADRO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)COc1c(Cl)cccc1Cl ZINC000617503362 565242224 /nfs/dbraw/zinc/24/22/24/565242224.db2.gz GCZCGEXXXBRZEH-ZDUSSCGKSA-N 1 0 376.328 2.760 20 0 GFADRO Cc1sc(C(=O)N[C@@H](C)CN(C)CCC[NH+](C)C)cc1Br ZINC000617502471 565242517 /nfs/dbraw/zinc/24/25/17/565242517.db2.gz QELAEZDWIFCARP-NSHDSACASA-N 1 0 376.364 2.821 20 0 GFADRO CCN(C(=O)CCNC(=O)Nc1ccc(Br)cc1)[C@@H]1CC[N@H+](C)C1 ZINC000617557255 565247220 /nfs/dbraw/zinc/24/72/20/565247220.db2.gz HPGLMRCNZIADSS-OAHLLOKOSA-N 1 0 397.317 2.513 20 0 GFADRO C[C@@H](c1ccc(Br)cc1)N1CC[NH+](C[C@H]2CCc3ncnn32)CC1 ZINC000639498274 565248317 /nfs/dbraw/zinc/24/83/17/565248317.db2.gz SBTXMHVBNJENEB-WMLDXEAASA-N 1 0 390.329 2.907 20 0 GFADRO O=C(Nc1ccc(Br)cn1)[C@@H]1CCC[N@H+](CCc2cnccn2)C1 ZINC000639523204 565249830 /nfs/dbraw/zinc/24/98/30/565249830.db2.gz XVIQYPRDQAIJQJ-CYBMUJFWSA-N 1 0 390.285 2.527 20 0 GFADRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C[C@@H](O)COc1cc(Cl)cc(Cl)c1 ZINC000639601326 565250622 /nfs/dbraw/zinc/25/06/22/565250622.db2.gz OGXPPHGBLJPDNR-XJKSGUPXSA-N 1 0 391.339 2.510 20 0 GFADRO Cc1ncc(CNC(=O)CC[NH2+][C@H](CO)c2ccc(Br)cc2)s1 ZINC000639596237 565251084 /nfs/dbraw/zinc/25/10/84/565251084.db2.gz JPFOLBOITWFNNV-OAHLLOKOSA-N 1 0 398.326 2.544 20 0 GFADRO O=C(NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1ccccc1Br ZINC000617696786 565252052 /nfs/dbraw/zinc/25/20/52/565252052.db2.gz NYXOFDMZQDNJKM-INIZCTEOSA-N 1 0 389.293 2.946 20 0 GFADRO O[C@H](COc1cc(Cl)cc(Cl)c1)C[N@@H+]1CCC[C@H](N2CCOCC2)C1 ZINC000639658992 565253445 /nfs/dbraw/zinc/25/34/45/565253445.db2.gz GBJUYHRDDTUFOM-IRXDYDNUSA-N 1 0 389.323 2.530 20 0 GFADRO COc1ncc(Br)cc1C[N@H+](C)CC(C)(C)CN1CCOCC1 ZINC000660120338 565254946 /nfs/dbraw/zinc/25/49/46/565254946.db2.gz AAQIAPFSWWCYGW-UHFFFAOYSA-N 1 0 386.334 2.643 20 0 GFADRO CN(CCC[NH+](C)C)CCNC(=O)c1c(Cl)cc(F)cc1Br ZINC000617762517 565256514 /nfs/dbraw/zinc/25/65/14/565256514.db2.gz QWVGPFCAAILEIH-UHFFFAOYSA-N 1 0 394.716 2.855 20 0 GFADRO CN(CCC[NH+](C)C)CCNC(=O)[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000617762727 565257290 /nfs/dbraw/zinc/25/72/90/565257290.db2.gz XKFBFMYTOWHPJS-DLBZAZTESA-N 1 0 382.346 2.552 20 0 GFADRO O[C@H](COc1cc(Cl)cc(Cl)c1)C[NH+]1CCC(Cn2cnnc2)CC1 ZINC000639728747 565257515 /nfs/dbraw/zinc/25/75/15/565257515.db2.gz FVHTWWJFGFEULL-INIZCTEOSA-N 1 0 385.295 2.737 20 0 GFADRO C[NH+](C)CCn1cc(NC(=O)N2CCc3c2cccc3Br)cn1 ZINC000639750433 565258041 /nfs/dbraw/zinc/25/80/41/565258041.db2.gz NZKOBEOQFAWWGP-UHFFFAOYSA-N 1 0 378.274 2.802 20 0 GFADRO C[NH+](C)C[C@@H]1COC2(CCCC2)CN1S(=O)(=O)Cc1ccccc1Cl ZINC000660149741 565259702 /nfs/dbraw/zinc/25/97/02/565259702.db2.gz FLXZSWVYGYEMRV-MRXNPFEDSA-N 1 0 386.945 2.745 20 0 GFADRO C[NH+](C)C[C@@H]1COC2(CCCC2)CN1S(=O)(=O)c1cc(F)ccc1Cl ZINC000660151447 565260633 /nfs/dbraw/zinc/26/06/33/565260633.db2.gz SCSNGLFSIQEAFS-CQSZACIVSA-N 1 0 390.908 2.743 20 0 GFADRO CN1CC(=O)N(CC[NH+]2CCC(C)(c3cccc(Br)c3)CC2)C1=O ZINC000660160809 565261842 /nfs/dbraw/zinc/26/18/42/565261842.db2.gz XWYAPOSFTGFVQY-UHFFFAOYSA-N 1 0 394.313 2.697 20 0 GFADRO COC(=O)[C@H]1C[C@H](O)C[N@H+](CCSc2ccnc3cc(Cl)ccc32)C1 ZINC000592203951 565262016 /nfs/dbraw/zinc/26/20/16/565262016.db2.gz IBUVCRHFFIMVEI-JSGCOSHPSA-N 1 0 380.897 2.836 20 0 GFADRO C[NH+]1CCC2(CC1)CN(CC[S@](=O)c1cc(Cl)ccc1Cl)CCO2 ZINC000592182179 565262300 /nfs/dbraw/zinc/26/23/00/565262300.db2.gz LEKRFXVFOFISSM-DEOSSOPVSA-N 1 0 391.364 2.898 20 0 GFADRO C[NH+]1CCC2(CC1)CN(CC[S@@](=O)c1cc(Cl)ccc1Cl)CCO2 ZINC000592182180 565262480 /nfs/dbraw/zinc/26/24/80/565262480.db2.gz LEKRFXVFOFISSM-XMMPIXPASA-N 1 0 391.364 2.898 20 0 GFADRO CCOC(=O)c1ccc(CNC(=O)[C@@](C)([NH3+])c2ccc(Br)cc2)o1 ZINC000592212976 565263585 /nfs/dbraw/zinc/26/35/85/565263585.db2.gz OLVVXFIERYLZFK-KRWDZBQOSA-N 1 0 395.253 2.709 20 0 GFADRO C[C@@H](C[NH+](C)C)[C@H]1CCCCN1C(=O)Nc1nnc(CC(F)(F)F)s1 ZINC000639829924 565265053 /nfs/dbraw/zinc/26/50/53/565265053.db2.gz IDWNALREGRSXPQ-WDEREUQCSA-N 1 0 379.452 3.227 20 0 GFADRO O=C1CCCN1C[C@H]1CC[N@@H+](C[C@H](O)COc2cc(Cl)cc(Cl)c2)C1 ZINC000639862585 565265731 /nfs/dbraw/zinc/26/57/31/565265731.db2.gz MKWZIIPETWXTCJ-BBRMVZONSA-N 1 0 387.307 2.677 20 0 GFADRO CC(C)S(=O)(=O)N1CC[C@@H]([NH2+]CCc2nsc3ccccc23)[C@@H](C)C1 ZINC000660308781 565269897 /nfs/dbraw/zinc/26/98/97/565269897.db2.gz PUZYTAUCCJWRGU-GOEBONIOSA-N 1 0 381.567 2.877 20 0 GFADRO CC(C)[N@H+](C)C[C@@H](O)CN1CCO[C@@H](c2ccc(F)c(Br)c2)C1 ZINC000660313525 565270664 /nfs/dbraw/zinc/27/06/64/565270664.db2.gz NESWPKOIZKDOFR-RHSMWYFYSA-N 1 0 389.309 2.663 20 0 GFADRO COC[C@H](C[N@H+](C)Cc1cccc(Br)c1OCC(C)(C)O)OC ZINC000660398422 565273459 /nfs/dbraw/zinc/27/34/59/565273459.db2.gz FINVNSOPWYGKKP-AWEZNQCLSA-N 1 0 390.318 2.692 20 0 GFADRO C[C@H](C(=O)Nc1ccc(Br)cc1)[NH+]1CCC(CCO)(CCO)CC1 ZINC000640012418 565274779 /nfs/dbraw/zinc/27/47/79/565274779.db2.gz CZHDMYPMMZEODE-CQSZACIVSA-N 1 0 399.329 2.623 20 0 GFADRO C[C@H](Cc1ccc(Br)cc1)NC(=O)c1cnn2c1[C@@H](C[NH3+])CCC2 ZINC000592495009 565278968 /nfs/dbraw/zinc/27/89/68/565278968.db2.gz NHRXSCCRCDFVDH-TZMCWYRMSA-N 1 0 391.313 2.843 20 0 GFADRO CC[C@@H]1CN(C(=O)c2c(F)cccc2I)CC[C@@H]1[NH3+] ZINC000592545796 565281036 /nfs/dbraw/zinc/28/10/36/565281036.db2.gz XCKWLKNVPLTPOR-SKDRFNHKSA-N 1 0 376.213 2.630 20 0 GFADRO CN(C[C@H]1CCCN(Cc2cc(F)ccc2OC(F)F)C1)S(C)(=O)=O ZINC000660535708 565281915 /nfs/dbraw/zinc/28/19/15/565281915.db2.gz YUTLUDQJRGCECD-GFCCVEGCSA-N 1 0 380.432 2.531 20 0 GFADRO C[N@H+](CCn1cc(Br)cn1)C[C@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC000660563488 565283102 /nfs/dbraw/zinc/28/31/02/565283102.db2.gz MWMJUMLTYXCQIC-CQSZACIVSA-N 1 0 385.350 2.862 20 0 GFADRO Cc1nn(C)c(NC(=O)NCC2CC[NH+](CC3CC3)CC2)c1Br ZINC000640168281 565284567 /nfs/dbraw/zinc/28/45/67/565284567.db2.gz DJCATJFVNSLQJB-UHFFFAOYSA-N 1 0 384.322 2.735 20 0 GFADRO OC[C@@]1([C@@H]([NH2+]Cc2ncc(Br)cc2Cl)C2CC2)CCCO1 ZINC000660647978 565286369 /nfs/dbraw/zinc/28/63/69/565286369.db2.gz VMTDMSOFIFVKBE-LSDHHAIUSA-N 1 0 375.694 2.907 20 0 GFADRO CN1CC[NH+](CCCCNC(=O)Nc2cscc2Br)CC1 ZINC000640188528 565286990 /nfs/dbraw/zinc/28/69/90/565286990.db2.gz AVTNTOWNHQHLKY-UHFFFAOYSA-N 1 0 375.336 2.660 20 0 GFADRO Cc1cc(Br)c(CNC(=O)NCC2([NH+](C)C)CCOCC2)s1 ZINC000660710430 565290897 /nfs/dbraw/zinc/29/08/97/565290897.db2.gz NEMCSSPZZFABKY-UHFFFAOYSA-N 1 0 390.347 2.729 20 0 GFADRO CNC(=O)[C@@H]1CC[N@H+](Cc2cccc(OCC(F)(F)F)c2Br)C1 ZINC000660833215 565295645 /nfs/dbraw/zinc/29/56/45/565295645.db2.gz QTBYYLLMCJNMKC-LLVKDONJSA-N 1 0 395.219 2.958 20 0 GFADRO C[N@@H+]1CCC[C@@H](CNC(=O)N2CCOc3cc(Br)ccc3C2)C1 ZINC000660846815 565295694 /nfs/dbraw/zinc/29/56/94/565295694.db2.gz IZRXXKQZIWJZCI-ZDUSSCGKSA-N 1 0 382.302 2.695 20 0 GFADRO COC(=O)C[C@](C)(NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)c1ccc(Br)cc1 ZINC000592792907 565295944 /nfs/dbraw/zinc/29/59/44/565295944.db2.gz GXEGDQHKYBCMHZ-DWQUBVKVSA-N 1 0 397.313 2.684 20 0 GFADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)CCCCc1ccc(Br)cc1 ZINC000592793717 565296378 /nfs/dbraw/zinc/29/63/78/565296378.db2.gz HNZAQUWJWSDPRR-INIZCTEOSA-N 1 0 396.373 2.914 20 0 GFADRO O=C(N[C@H]1CC[NH2+]C12CCCC2)c1c(F)cccc1I ZINC000592952270 565304626 /nfs/dbraw/zinc/30/46/26/565304626.db2.gz BRKJFLDBSMNAGV-LBPRGKRZSA-N 1 0 388.224 2.835 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)NCCCCn1cc(Br)cn1 ZINC000661099135 565306310 /nfs/dbraw/zinc/30/63/10/565306310.db2.gz HJAXLYTVIOEUFK-AWEZNQCLSA-N 1 0 386.338 2.598 20 0 GFADRO C[NH+](C)C1CCC(NC(=O)Nc2nnc(C(F)(F)C(F)(F)F)s2)CC1 ZINC000640388407 565307431 /nfs/dbraw/zinc/30/74/31/565307431.db2.gz ZKZATWJUSUTCBP-UHFFFAOYSA-N 1 0 387.378 3.187 20 0 GFADRO COC[C@@H]([NH2+]CC(=O)NCCc1cccc(Cl)c1Cl)C1CCOCC1 ZINC000661158901 565311786 /nfs/dbraw/zinc/31/17/86/565311786.db2.gz PVUJHVRHNCJYPM-MRXNPFEDSA-N 1 0 389.323 2.683 20 0 GFADRO CO[C@@H]1CCC[C@H]([C@H](CO)[NH2+]Cc2nc3ccc(Br)cc3n2C)C1 ZINC000661213336 565314098 /nfs/dbraw/zinc/31/40/98/565314098.db2.gz AHYNZPDPXOHLKA-BJJXKVORSA-N 1 0 396.329 2.992 20 0 GFADRO C[NH+](C)Cc1ccnc(NC(=O)N[C@H](CO)c2ccc(Br)cc2)c1 ZINC000640567919 565316852 /nfs/dbraw/zinc/31/68/52/565316852.db2.gz UFSWFDUMFMZCRO-OAHLLOKOSA-N 1 0 393.285 2.761 20 0 GFADRO C[C@@H]1[C@@H](C)[N@@H+](C)C[C@H](C)N1C(=O)c1csc(I)c1 ZINC000593189211 565318844 /nfs/dbraw/zinc/31/88/44/565318844.db2.gz XPCMVONNLOKJBQ-IVZWLZJFSA-N 1 0 378.279 2.906 20 0 GFADRO C[N@@H+]1CCN(C(=O)c2ccc(Cl)c(NS(C)(=O)=O)c2)C[C@H]1C(C)(C)C ZINC000640624598 565320252 /nfs/dbraw/zinc/32/02/52/565320252.db2.gz ARSGKJIAECXGKV-HNNXBMFYSA-N 1 0 387.933 2.514 20 0 GFADRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)N2CCN(c3ccc(Br)cc3)CC2)C1 ZINC000661360003 565320265 /nfs/dbraw/zinc/32/02/65/565320265.db2.gz UKWFHEJRAUJNJO-KDYLLFBJSA-N 1 0 395.345 2.621 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)N[C@@H](CO)c2cccc(Br)c2)C1 ZINC000661505565 565325840 /nfs/dbraw/zinc/32/58/40/565325840.db2.gz ARXNSEAIHJIPKZ-GJZGRUSLSA-N 1 0 384.318 2.655 20 0 GFADRO C[C@@H](C(=O)Nc1cc(Cl)ccc1Cl)n1cc(CN(C)CCC[NH3+])nn1 ZINC000640801149 565328705 /nfs/dbraw/zinc/32/87/05/565328705.db2.gz ARWHOTKBOICJKH-NSHDSACASA-N 1 0 385.299 2.565 20 0 GFADRO C[C@H](NC(=O)Cn1cc(C[C@@H]2CC[NH2+]C2)nn1)c1ccc(Cl)cc1Cl ZINC000640838449 565329999 /nfs/dbraw/zinc/32/99/99/565329999.db2.gz GTAYTUWZCWJOFU-RYUDHWBXSA-N 1 0 382.295 2.614 20 0 GFADRO O=C1[C@H]([N@@H+]2CC[C@H]3NC(=O)CC[C@@H]3C2)CCN1c1ccc(Cl)c(Cl)c1 ZINC000661596201 565330532 /nfs/dbraw/zinc/33/05/32/565330532.db2.gz AZLJOQQRPFMASG-HFBAOOFYSA-N 1 0 382.291 2.699 20 0 GFADRO CC[NH+]1CCC(NC(=O)CN(C)[C@H](CO)c2cccc(Cl)c2Cl)CC1 ZINC000661638342 565331501 /nfs/dbraw/zinc/33/15/01/565331501.db2.gz KOBRZGMMDUYZAQ-MRXNPFEDSA-N 1 0 388.339 2.559 20 0 GFADRO CC[N@@H+]1CCCN(c2ncnc3cc(I)sc32)CC1 ZINC000593463556 565332758 /nfs/dbraw/zinc/33/27/58/565332758.db2.gz YHUUIJKXNXQBEQ-UHFFFAOYSA-N 1 0 388.278 2.828 20 0 GFADRO C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+]1C[C@@H]2COC[C@]2(C)C1 ZINC000661705051 565335753 /nfs/dbraw/zinc/33/57/53/565335753.db2.gz ZLGQXYJZYBGICU-SIIHOXLZSA-N 1 0 381.314 2.764 20 0 GFADRO CCC[C@H](C)NC(=O)[C@@H](C)n1cc([C@H]([NH3+])c2ccc(Br)cc2)nn1 ZINC000640909343 565336356 /nfs/dbraw/zinc/33/63/56/565336356.db2.gz PUSNFFHMVLVCDE-HWWQOWPSSA-N 1 0 394.317 2.955 20 0 GFADRO C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)n1cc(CCCC[NH3+])nn1 ZINC000640928140 565337295 /nfs/dbraw/zinc/33/72/95/565337295.db2.gz YIHRVAZMJOLOTH-ZDUSSCGKSA-N 1 0 394.317 2.542 20 0 GFADRO [NH3+][C@@H](c1cn(Cc2cc(Br)cc3cccnc32)nn1)[C@H]1CCCO1 ZINC000640949305 565338648 /nfs/dbraw/zinc/33/86/48/565338648.db2.gz JIOBOUUVGDPRBI-CVEARBPZSA-N 1 0 388.269 2.816 20 0 GFADRO CC(C)(C)[C@@H]([NH3+])c1cn(CC(=O)NCCc2cccc(Cl)c2Cl)nn1 ZINC000640982867 565340139 /nfs/dbraw/zinc/34/01/39/565340139.db2.gz MRMRBXRUNVDDIP-INIZCTEOSA-N 1 0 384.311 2.990 20 0 GFADRO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)N[C@H](CO)c1ccc(Br)cc1 ZINC000661897991 565342671 /nfs/dbraw/zinc/34/26/71/565342671.db2.gz MQEWNCVYOIIREV-WMLDXEAASA-N 1 0 398.345 2.902 20 0 GFADRO CCc1noc(C)c1Cn1cc([C@@H]([NH3+])c2ccc(Br)cc2)nn1 ZINC000641055794 565343876 /nfs/dbraw/zinc/34/38/76/565343876.db2.gz NRRXGZAHRSSZTM-INIZCTEOSA-N 1 0 376.258 2.996 20 0 GFADRO Brc1cccc(-c2cnc(Cn3cc(C[C@H]4CC[NH2+]C4)nn3)o2)c1 ZINC000641072431 565344847 /nfs/dbraw/zinc/34/48/47/565344847.db2.gz IBIMKQQAYIZBQC-GFCCVEGCSA-N 1 0 388.269 2.896 20 0 GFADRO CC[C@H]([NH2+]CC(=O)NCC(F)F)c1ccc(I)cc1 ZINC000619508776 565346328 /nfs/dbraw/zinc/34/63/28/565346328.db2.gz GIUCPSBQYNJTOL-NSHDSACASA-N 1 0 382.192 2.713 20 0 GFADRO CC[NH2+]Cc1ccn(Cc2cn(Cc3cc(Br)ccc3C)nn2)n1 ZINC000641138876 565349591 /nfs/dbraw/zinc/34/95/91/565349591.db2.gz TUYPUFVTDSUJLM-UHFFFAOYSA-N 1 0 389.301 2.752 20 0 GFADRO O=C1Nc2ccc(Br)cc2CC[C@@H]1n1cc([C@@H]2CCC[NH2+]C2)nn1 ZINC000641164388 565351205 /nfs/dbraw/zinc/35/12/05/565351205.db2.gz IOMNCPBNVXNPGC-WBMJQRKESA-N 1 0 390.285 2.634 20 0 GFADRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)N1CCc2[nH]c3ccc(Br)cc3c2C1 ZINC000641247907 565355592 /nfs/dbraw/zinc/35/55/92/565355592.db2.gz KNVYWPAPCYLYRN-NHYWBVRUSA-N 1 0 391.313 2.996 20 0 GFADRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)N1CCc2[nH]c3c(cccc3Br)c2C1 ZINC000641247919 565355754 /nfs/dbraw/zinc/35/57/54/565355754.db2.gz NIRLGCRJTSTYBE-NHYWBVRUSA-N 1 0 391.313 2.996 20 0 GFADRO CN(Cc1cccc2c1CC[NH2+]C2)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000662280758 565357371 /nfs/dbraw/zinc/35/73/71/565357371.db2.gz QDDBSMODABONFK-GOSISDBHSA-N 1 0 376.909 2.946 20 0 GFADRO Cc1cc(Br)c(CN2CCC[C@H](C(=O)NCC[NH3+])C2)cc1Cl ZINC000662242749 565357657 /nfs/dbraw/zinc/35/76/57/565357657.db2.gz IHMZRGQGUNNCRO-LBPRGKRZSA-N 1 0 388.737 2.698 20 0 GFADRO [NH3+]C[C@@H]1CCc2ccccc2N1Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000662306165 565359387 /nfs/dbraw/zinc/35/93/87/565359387.db2.gz OLEYYDROJXAXRM-INIZCTEOSA-N 1 0 399.292 2.737 20 0 GFADRO NC(=O)[C@H](c1ccc(Br)cc1F)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662291785 565359477 /nfs/dbraw/zinc/35/94/77/565359477.db2.gz KHOOAPJEPJYDFT-GUYCJALGSA-N 1 0 398.320 2.826 20 0 GFADRO CN(Cc1nc(-c2ccc(Br)s2)no1)[C@H](C[NH3+])C(F)(F)F ZINC000662329103 565360272 /nfs/dbraw/zinc/36/02/72/565360272.db2.gz IWQOHWSYWLPPLH-SSDOTTSWSA-N 1 0 385.209 2.882 20 0 GFADRO COc1cc(CS(=O)(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)sn1 ZINC000641328121 565363002 /nfs/dbraw/zinc/36/30/02/565363002.db2.gz GKWQXNSXGZFHTM-LSDHHAIUSA-N 1 0 387.571 2.568 20 0 GFADRO C[C@H](Cc1cccc(Br)c1)NC(=O)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC000662410791 565366059 /nfs/dbraw/zinc/36/60/59/565366059.db2.gz OLLCDMNSCFRVGS-YPMHNXCESA-N 1 0 377.286 2.610 20 0 GFADRO CC[NH2+]CC1CCN(C(=O)c2cc(Br)cc3c2OCCO3)CC1 ZINC000662429355 565367151 /nfs/dbraw/zinc/36/71/51/565367151.db2.gz JFFCHTYXZCPNNH-UHFFFAOYSA-N 1 0 383.286 2.682 20 0 GFADRO COc1cc(CNC(=O)c2cccc3c2C[NH2+]C3)cc(Br)c1OC ZINC000662429165 565367974 /nfs/dbraw/zinc/36/79/74/565367974.db2.gz JSOQYIPXVVKSII-UHFFFAOYSA-N 1 0 391.265 3.000 20 0 GFADRO N[C@H](C(=O)N1CCC[N@@H+](C2CCCC2)CC1)c1ccccc1Br ZINC000662468561 565369651 /nfs/dbraw/zinc/36/96/51/565369651.db2.gz POUPOSRPUUWBMR-KRWDZBQOSA-N 1 0 380.330 2.926 20 0 GFADRO O=C(Nc1ccc(F)c(Br)c1)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC000662467836 565370196 /nfs/dbraw/zinc/37/01/96/565370196.db2.gz JTJYLZLXZMBVRW-NSHDSACASA-N 1 0 382.237 2.747 20 0 GFADRO O=C(Nc1cc(Br)ccc1F)c1cn([C@@H]2CCC[NH2+]CC2)nn1 ZINC000662467618 565370341 /nfs/dbraw/zinc/37/03/41/565370341.db2.gz JNJNOSVFDUMGPW-LLVKDONJSA-N 1 0 382.237 2.747 20 0 GFADRO CN(Cc1cccc(Br)c1)C(=O)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC000662480874 565371341 /nfs/dbraw/zinc/37/13/41/565371341.db2.gz XTQBTOKDRBVCPC-HNNXBMFYSA-N 1 0 392.301 2.627 20 0 GFADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2sc3c(c2Br)CNC3)C1 ZINC000662485579 565371510 /nfs/dbraw/zinc/37/15/10/565371510.db2.gz QLKQSRLDULROAW-NSHDSACASA-N 1 0 386.359 2.918 20 0 GFADRO CC[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)NC[C@@H](C)[NH3+])CC1 ZINC000641424559 565371584 /nfs/dbraw/zinc/37/15/84/565371584.db2.gz KRNUZRNLCWPWFF-CJNGLKHVSA-N 1 0 383.334 2.575 20 0 GFADRO CCN(C[C@@H]1CCN(C(=O)c2cc3c(s2)CC[NH2+]C3)C1)CC(F)(F)F ZINC000662488731 565371771 /nfs/dbraw/zinc/37/17/71/565371771.db2.gz VCCDNODEGFTRQI-LBPRGKRZSA-N 1 0 375.460 2.740 20 0 GFADRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3sc4c(c3Br)CNC4)CC[C@@H]21 ZINC000662502155 565372118 /nfs/dbraw/zinc/37/21/18/565372118.db2.gz JSOGNIDOOQMVKG-JQWIXIFHSA-N 1 0 384.343 2.670 20 0 GFADRO Cc1cc(C)c(C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)cc1I ZINC000594102482 565376336 /nfs/dbraw/zinc/37/63/36/565376336.db2.gz LNVFDASGPYPMCS-BETUJISGSA-N 1 0 386.277 2.978 20 0 GFADRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)c2ccc(F)cc2I)C1 ZINC000594105423 565376657 /nfs/dbraw/zinc/37/66/57/565376657.db2.gz CSAZPLNDVQCKOX-JGZJWPJOSA-N 1 0 376.213 2.500 20 0 GFADRO [NH3+]CC[C@H](NC(=O)c1cc(Br)cc(N2CCCC2)c1)C(F)F ZINC000662567683 565377005 /nfs/dbraw/zinc/37/70/05/565377005.db2.gz YNHKGLIUWOUANQ-ZDUSSCGKSA-N 1 0 376.245 2.762 20 0 GFADRO C[C@@H]1CC2(CN1C(=O)c1sc3c(c1Br)CNC3)CC[NH2+]CC2 ZINC000662580946 565378195 /nfs/dbraw/zinc/37/81/95/565378195.db2.gz VFTLRPQTSRKHIC-SNVBAGLBSA-N 1 0 384.343 2.718 20 0 GFADRO CC[NH+]1CCN(CCC(=O)N2CC[C@H]2c2ccc(Br)cc2)CC1 ZINC000620332202 565378955 /nfs/dbraw/zinc/37/89/55/565378955.db2.gz BRZITQFRWSYQPB-KRWDZBQOSA-N 1 0 380.330 2.750 20 0 GFADRO C[C@H](CC(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1)n1cc(Br)cn1 ZINC000662591924 565379244 /nfs/dbraw/zinc/37/92/44/565379244.db2.gz WHICMMICEVMDAA-UKRRQHHQSA-N 1 0 383.334 2.835 20 0 GFADRO COc1cccc(OC)c1CNC(=O)[C@](C)([NH3+])c1ccc(Br)cc1 ZINC000662626428 565379540 /nfs/dbraw/zinc/37/95/40/565379540.db2.gz HCAQPIUSWLSSJA-GOSISDBHSA-N 1 0 393.281 2.957 20 0 GFADRO C[C@@H](CC(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1)n1cc(Br)cn1 ZINC000662591922 565379919 /nfs/dbraw/zinc/37/99/19/565379919.db2.gz WHICMMICEVMDAA-DZGCQCFKSA-N 1 0 383.334 2.835 20 0 GFADRO CC1(C)CC[NH2+][C@H]1C(=O)N1CCN(Cc2ccc(Br)s2)CC1 ZINC000662667556 565380382 /nfs/dbraw/zinc/38/03/82/565380382.db2.gz WLPWRYLPMZSYQA-AWEZNQCLSA-N 1 0 386.359 2.543 20 0 GFADRO Cc1cc(Br)c(CNC(=O)[C@]2([NH3+])[C@@H]3CCCO[C@@H]3C2(C)C)s1 ZINC000662667686 565381100 /nfs/dbraw/zinc/38/11/00/565381100.db2.gz CKPOOTRLGOOEMT-AKWBHNSASA-N 1 0 387.343 2.968 20 0 GFADRO COCC[C@H](Cc1cccc(Br)c1)C(=O)N1CC2CC1(C[NH3+])C2 ZINC000662678735 565381583 /nfs/dbraw/zinc/38/15/83/565381583.db2.gz HUNYNHWFPQOVQM-SWKXRBFHSA-N 1 0 381.314 2.594 20 0 GFADRO [NH3+]C[C@H](C(=O)N1CCOc2cc(Br)ccc2C1)c1ccccc1 ZINC000662740312 565383231 /nfs/dbraw/zinc/38/32/31/565383231.db2.gz FOLIFYCXHRHXLB-INIZCTEOSA-N 1 0 375.266 2.913 20 0 GFADRO CC(C)(C)n1cc(Br)c(C(=O)Nc2nc3c(s2)C[C@@H]([NH3+])CC3)n1 ZINC000662779205 565384138 /nfs/dbraw/zinc/38/41/38/565384138.db2.gz QGQHBFOWWVURQB-QMMMGPOBSA-N 1 0 398.330 2.925 20 0 GFADRO CCc1ccc([C@@H]2C[NH2+]CCN2C(=O)c2nn(C)cc2Br)cc1 ZINC000662771765 565384464 /nfs/dbraw/zinc/38/44/64/565384464.db2.gz AVNAFQPPGSYSJL-HNNXBMFYSA-N 1 0 377.286 2.532 20 0 GFADRO O=C(c1c(Cl)cccc1Br)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000620474627 565384877 /nfs/dbraw/zinc/38/48/77/565384877.db2.gz IHYYOHZBWMNGFL-GFCCVEGCSA-N 1 0 387.705 2.774 20 0 GFADRO O=C(N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662800294 565385373 /nfs/dbraw/zinc/38/53/73/565385373.db2.gz MWEAJCREHNTMMB-BONVTDFDSA-N 1 0 379.785 2.716 20 0 GFADRO O=C(CCc1cc(Br)cs1)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000620484944 565385657 /nfs/dbraw/zinc/38/56/57/565385657.db2.gz PAJIPRMFPWNVCP-CQSZACIVSA-N 1 0 387.343 2.501 20 0 GFADRO [NH3+][C@H]1C[C@@H](C(=O)N2CCc3cc(Br)c(Br)cc3C2)C1 ZINC000662929756 565390058 /nfs/dbraw/zinc/39/00/58/565390058.db2.gz IZDBQQRQEYUHQE-JGZJWPJOSA-N 1 0 388.103 2.834 20 0 GFADRO O=C(NC[C@H]1CCC[N@H+](CC2CC2)C1)c1sc2c(c1Br)CNC2 ZINC000663004861 565392514 /nfs/dbraw/zinc/39/25/14/565392514.db2.gz SFSWEFPBSRTJFW-GFCCVEGCSA-N 1 0 398.370 2.966 20 0 GFADRO CC(=O)NC[C@H]1CCC[N@H+](C[C@H](O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000620807933 565398222 /nfs/dbraw/zinc/39/82/22/565398222.db2.gz FAUNMGBKGVQYEM-KGLIPLIRSA-N 1 0 375.296 2.581 20 0 GFADRO COc1nsc(C[NH2+]CC2CCN(CC(F)F)CC2)c1Br ZINC000641775932 565398747 /nfs/dbraw/zinc/39/87/47/565398747.db2.gz PLHUNZUYFDTJEA-UHFFFAOYSA-N 1 0 384.290 2.981 20 0 GFADRO FC(F)(F)c1cc(C[NH2+][C@H]2CCCN(CCN3CCOCC3)C2)cs1 ZINC000641787555 565399282 /nfs/dbraw/zinc/39/92/82/565399282.db2.gz VFRBUWXMCLAVNF-HNNXBMFYSA-N 1 0 377.476 2.653 20 0 GFADRO FC(F)(F)c1cscc1C[NH2+][C@@H]1CCCN(CCN2CCOCC2)C1 ZINC000641787711 565399764 /nfs/dbraw/zinc/39/97/64/565399764.db2.gz YPEOXJNBNSQXCR-OAHLLOKOSA-N 1 0 377.476 2.653 20 0 GFADRO CC[C@@H]1CN(C(=O)CSc2nnc(-c3cccs3)n2CC)C[C@H](C)[NH2+]1 ZINC000620907399 565400514 /nfs/dbraw/zinc/40/05/14/565400514.db2.gz PKOCPUCNKJXRJW-QWHCGFSZSA-N 1 0 379.555 2.718 20 0 GFADRO COC(=O)[C@H]1CC[N@H+](Cc2cn(-c3ccccc3Br)nc2C)C1 ZINC000594597775 565401389 /nfs/dbraw/zinc/40/13/89/565401389.db2.gz UKOQSMLSPGTERW-ZDUSSCGKSA-N 1 0 378.270 2.938 20 0 GFADRO C[NH+](C)C[C@@H]1COC2(CCCC2)CN1C(=O)c1cncc(Br)c1 ZINC000620917467 565401852 /nfs/dbraw/zinc/40/18/52/565401852.db2.gz JHXBNINTLHMXLU-OAHLLOKOSA-N 1 0 382.302 2.560 20 0 GFADRO O=C(NC1CC[NH+](C2CC2)CC1)C1=Cc2cc(Br)ccc2OC1 ZINC000641905295 565402300 /nfs/dbraw/zinc/40/23/00/565402300.db2.gz PUTOZLYVILDYOE-UHFFFAOYSA-N 1 0 377.282 2.968 20 0 GFADRO Ic1ccccc1Cn1cc(CC[NH+]2CCCCC2)nn1 ZINC000594654092 565402522 /nfs/dbraw/zinc/40/25/22/565402522.db2.gz UZCMVQKLLDOECO-UHFFFAOYSA-N 1 0 396.276 2.959 20 0 GFADRO C[NH+](C)CCC[C@@H]1CN(C(=O)CCOc2ccccc2Br)CCO1 ZINC000620967152 565403479 /nfs/dbraw/zinc/40/34/79/565403479.db2.gz FNZVTAMEMSAUMO-OAHLLOKOSA-N 1 0 399.329 2.787 20 0 GFADRO CC(C)[C@H]1CN(C(=O)c2cnn(-c3cccc(Br)c3)c2)CC[NH2+]1 ZINC000621152693 565408059 /nfs/dbraw/zinc/40/80/59/565408059.db2.gz BTGUFBZTMXBKLT-MRXNPFEDSA-N 1 0 377.286 2.705 20 0 GFADRO CC(C)[C@@H]1CN(C(=O)c2cn(-c3ccc(Br)cc3)cn2)CC[NH2+]1 ZINC000621156275 565408402 /nfs/dbraw/zinc/40/84/02/565408402.db2.gz XMGGMUIRZYYHOB-HNNXBMFYSA-N 1 0 377.286 2.705 20 0 GFADRO CN([C@H](C[NH3+])C(F)(F)F)S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000663309166 565411264 /nfs/dbraw/zinc/41/12/64/565411264.db2.gz AFZHIMBSXYRCOY-SECBINFHSA-N 1 0 384.729 2.869 20 0 GFADRO COc1cc(NCc2ccc(N3CC[NH+](C)CC3)nc2)c(Br)cn1 ZINC000663377229 565416575 /nfs/dbraw/zinc/41/65/75/565416575.db2.gz IUAJMCIZNLPTNS-UHFFFAOYSA-N 1 0 392.301 2.612 20 0 GFADRO COc1cc(CN2CCC[C@H](N3CCCC3=O)CC2)c(Br)cn1 ZINC000621302208 565416583 /nfs/dbraw/zinc/41/65/83/565416583.db2.gz XDZVWQPRGYORQJ-AWEZNQCLSA-N 1 0 382.302 2.830 20 0 GFADRO CCOc1cncc(C[NH2+]CCNC(=O)c2cccc(Br)c2)c1 ZINC000621335754 565421813 /nfs/dbraw/zinc/42/18/13/565421813.db2.gz YGCUYFQFRKYFBO-UHFFFAOYSA-N 1 0 378.270 2.762 20 0 GFADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)c1 ZINC000594788875 565422147 /nfs/dbraw/zinc/42/21/47/565422147.db2.gz HKCDXEJURPXWNL-LBPRGKRZSA-N 1 0 388.917 2.525 20 0 GFADRO O=S(=O)(CCc1ccccc1Br)N1CCC[C@H](n2ccnc2)C1 ZINC000643193376 565423262 /nfs/dbraw/zinc/42/32/62/565423262.db2.gz ZYAWPQVVGRBXQU-HNNXBMFYSA-N 1 0 398.326 2.855 20 0 GFADRO C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+]1CC[C@@H](C)[C@@H](CO)C1 ZINC000621364823 565423546 /nfs/dbraw/zinc/42/35/46/565423546.db2.gz LZHFLFDWWBAJKD-IIAWOOMASA-N 1 0 383.330 2.746 20 0 GFADRO O=C(NCc1ccc(Cl)s1)NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000663697641 565431806 /nfs/dbraw/zinc/43/18/06/565431806.db2.gz ZLFPIDSSVMSXDS-HNNXBMFYSA-N 1 0 379.913 2.968 20 0 GFADRO CN(CC(=O)Nc1ccccc1Br)C(=O)CC[C@@H]1CCC[NH2+]C1 ZINC000621625390 565433322 /nfs/dbraw/zinc/43/33/22/565433322.db2.gz UWHMRKXSMCDYGK-ZDUSSCGKSA-N 1 0 382.302 2.626 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C(=O)N[C@H]1CCC[NH2+][C@H]1C ZINC000643607773 565434968 /nfs/dbraw/zinc/43/49/68/565434968.db2.gz LTAYLLUAXYJKRY-LRDDRELGSA-N 1 0 377.286 2.814 20 0 GFADRO COC(=O)[C@@H]1C[C@H]1[C@@H](C)[NH2+]Cc1nnc2c(Cl)cc(C(F)(F)F)cn12 ZINC000594915892 565435579 /nfs/dbraw/zinc/43/55/79/565435579.db2.gz XDRQPQZFCKDAKX-FKTZTGRPSA-N 1 0 376.766 2.689 20 0 GFADRO Cc1n[nH]c(CC[NH2+]Cc2cc(Cl)ccc2I)n1 ZINC000594934201 565435607 /nfs/dbraw/zinc/43/56/07/565435607.db2.gz FWDCCHMTWPTDEF-UHFFFAOYSA-N 1 0 376.629 2.703 20 0 GFADRO [NH3+][C@@]12CCC[C@@H]1CN(C(=O)c1cc(-c3ccc(Br)cc3)n[nH]1)C2 ZINC000621691528 565437133 /nfs/dbraw/zinc/43/71/33/565437133.db2.gz AGKMTKRABAVIPM-SJKOYZFVSA-N 1 0 375.270 2.793 20 0 GFADRO O=C(NCc1ccc(Br)cc1Cl)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000643663946 565437676 /nfs/dbraw/zinc/43/76/76/565437676.db2.gz MNDWARZXHHFWJQ-GFCCVEGCSA-N 1 0 398.692 2.549 20 0 GFADRO CSCc1cnc(CNC[C@H]2C[N@H+](C)CCN2Cc2ccccc2)s1 ZINC000594995646 565440868 /nfs/dbraw/zinc/44/08/68/565440868.db2.gz ROVLHUDHEFULPO-KRWDZBQOSA-N 1 0 376.595 2.912 20 0 GFADRO CS(=O)(=O)c1ccc(-c2nc(CN3C[C@@H]4CCC[C@]4([NH3+])C3)cs2)cc1 ZINC000621782302 565441283 /nfs/dbraw/zinc/44/12/83/565441283.db2.gz ORFMTPDZAQLMNK-KSSFIOAISA-N 1 0 377.535 2.527 20 0 GFADRO O[C@@]1(C[NH2+][C@@H]2CCc3ccc(I)cc32)CCSC1 ZINC000595012282 565442074 /nfs/dbraw/zinc/44/20/74/565442074.db2.gz MPTMYHVTBRTULL-ZIAGYGMSSA-N 1 0 375.275 2.736 20 0 GFADRO CN1CCO[C@H]([C@H]([NH2+][C@@H]2CCC[C@@H]([S@](C)=O)C2)c2ccc(Cl)cc2)C1 ZINC000595070613 565446860 /nfs/dbraw/zinc/44/68/60/565446860.db2.gz NLRHSYYNTSSNOV-PGRZARHOSA-N 1 0 384.973 2.991 20 0 GFADRO C[NH+](C)CC[C@@](C)(O)CNC(=O)c1cc(-c2ccc(Br)cc2)no1 ZINC000621959650 565452376 /nfs/dbraw/zinc/45/23/76/565452376.db2.gz BJXFYZDIMUTNOZ-QGZVFWFLSA-N 1 0 396.285 2.537 20 0 GFADRO Cc1nnc(CN(C)C(=O)NCC2([NH+]3CCSCC3)CCCCC2)s1 ZINC000664091327 565452540 /nfs/dbraw/zinc/45/25/40/565452540.db2.gz KLPLGKTUEYIHTJ-UHFFFAOYSA-N 1 0 383.587 2.740 20 0 GFADRO COc1cc(Br)c(NC(=O)[C@@H]2C[NH2+]CCC2(F)F)cc1OC ZINC000643984451 565454387 /nfs/dbraw/zinc/45/43/87/565454387.db2.gz KYQNPQJRFZWBKA-QMMMGPOBSA-N 1 0 379.201 2.650 20 0 GFADRO [NH3+][C@]12CCC[C@@H]1CN(S(=O)(=O)c1cc(Cl)ccc1Br)C2 ZINC000622014854 565455073 /nfs/dbraw/zinc/45/50/73/565455073.db2.gz LPMNEVUZKFCJJK-RNCFNFMXSA-N 1 0 379.707 2.604 20 0 GFADRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)CCn2cc(Br)cn2)C1 ZINC000622010726 565455199 /nfs/dbraw/zinc/45/51/99/565455199.db2.gz VADJDLDICGPJKD-IJEWVQPXSA-N 1 0 383.334 2.900 20 0 GFADRO CC(=O)NCc1ccc(-c2nc(NC(=O)[C@@H]3[NH2+]CC3(C)C)sc2C)s1 ZINC000644043632 565456034 /nfs/dbraw/zinc/45/60/34/565456034.db2.gz MHUDRMQMDTZWQA-AWEZNQCLSA-N 1 0 378.523 2.753 20 0 GFADRO CC(C)[C@H]([NH3+])CCNC(=O)Nc1cccc(F)c1I ZINC000595230394 565456694 /nfs/dbraw/zinc/45/66/94/565456694.db2.gz GKBHSJQGFPHQJS-SNVBAGLBSA-N 1 0 379.217 2.925 20 0 GFADRO O=C(Nc1ccc(I)cc1F)N[C@@H]1CCC[NH2+]CC1 ZINC000595235231 565457210 /nfs/dbraw/zinc/45/72/10/565457210.db2.gz SPPZEFKNDFQIAD-SNVBAGLBSA-N 1 0 377.201 2.694 20 0 GFADRO [NH3+]CC12CC(C1)CN2C(=O)Nc1cc(Cl)ccc1I ZINC000595232884 565457217 /nfs/dbraw/zinc/45/72/17/565457217.db2.gz KWMDWPSEFKORLE-UHFFFAOYSA-N 1 0 391.640 2.900 20 0 GFADRO C[NH2+]C[C@@H](C)NC(=O)N1CCC[C@H]1c1ccc(I)cc1 ZINC000595275192 565459831 /nfs/dbraw/zinc/45/98/31/565459831.db2.gz IUMGARRXUSTCBU-RISCZKNCSA-N 1 0 387.265 2.746 20 0 GFADRO [NH3+]C1(C(=O)Nc2nc3cc(I)ccc3[nH]2)CC2(CCC2)C1 ZINC000595260165 565460494 /nfs/dbraw/zinc/46/04/94/565460494.db2.gz WNCJNLVTMGOTOE-UHFFFAOYSA-N 1 0 396.232 2.768 20 0 GFADRO O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1cc2ccc(F)cc2s1 ZINC000644131169 565460574 /nfs/dbraw/zinc/46/05/74/565460574.db2.gz NJPVVQJAOUSKNE-CQSZACIVSA-N 1 0 375.391 2.606 20 0 GFADRO NC(=O)c1ncc(Br)cc1NC[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000664632383 565471400 /nfs/dbraw/zinc/47/14/00/565471400.db2.gz RSQQLKLKPCHCNW-CQSZACIVSA-N 1 0 375.270 2.629 20 0 GFADRO Cc1ccc(Br)cc1CNC(=O)NCCN1C[C@H](C)OC[C@H]1C ZINC000664723172 565475327 /nfs/dbraw/zinc/47/53/27/565475327.db2.gz WMHQQFKIRSAVQS-KGLIPLIRSA-N 1 0 384.318 2.666 20 0 GFADRO Cc1cccc(CNC(=O)NCCN2C[C@H](C)OC[C@@H]2C)c1Br ZINC000664729724 565475390 /nfs/dbraw/zinc/47/53/90/565475390.db2.gz LSWRGVMMJZDGLD-KBPBESRZSA-N 1 0 384.318 2.666 20 0 GFADRO C[C@H](Cc1ccc(F)c(Br)c1)[NH2+]C[C@H](O)COC1CCOCC1 ZINC000644599790 565483847 /nfs/dbraw/zinc/48/38/47/565483847.db2.gz UDZQLDTWEPTLFM-OCCSQVGLSA-N 1 0 390.293 2.665 20 0 GFADRO C[C@H](C[C@H]1CCOC1)[NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000644593810 565484094 /nfs/dbraw/zinc/48/40/94/565484094.db2.gz LSZSHNFRAOUOAL-LALPHHSUSA-N 1 0 376.266 2.733 20 0 GFADRO Cc1ccc(C)c(OC[C@@H](O)C[NH2+]Cc2ccc(S(C)(=O)=O)s2)c1C ZINC000644630986 565486257 /nfs/dbraw/zinc/48/62/57/565486257.db2.gz VCMQONYYCSVGMC-HNNXBMFYSA-N 1 0 383.535 2.606 20 0 GFADRO Cc1cc(OC[C@@H](O)C[NH2+]CCC2CS(=O)(=O)C2)c(C(C)C)cc1Cl ZINC000644630181 565486358 /nfs/dbraw/zinc/48/63/58/565486358.db2.gz JOEXWLMVQNZYSN-HNNXBMFYSA-N 1 0 389.945 2.536 20 0 GFADRO COCC1(C[NH2+]C[C@H](O)COc2ccc(Cl)c(Cl)c2)CCOCC1 ZINC000644652154 565487697 /nfs/dbraw/zinc/48/76/97/565487697.db2.gz VXXQHOYRWSCENK-ZDUSSCGKSA-N 1 0 378.296 2.766 20 0 GFADRO CC(C)(C)OC(=O)[C@]12COC[C@H]1CN(Cc1ncc(Br)s1)C2 ZINC000595720956 565488898 /nfs/dbraw/zinc/48/88/98/565488898.db2.gz RNISZCFYMMYUMB-MEBBXXQBSA-N 1 0 389.315 2.696 20 0 GFADRO C[NH+](C)CCC[C@@H]1CN(C(=O)NCCc2cccc(Br)c2)CCO1 ZINC000665108219 565489421 /nfs/dbraw/zinc/48/94/21/565489421.db2.gz DYSVGINSPJGSEW-QGZVFWFLSA-N 1 0 398.345 2.744 20 0 GFADRO C[NH+](C)Cc1ccc(F)c(-c2ccc(S(=O)(=O)N3CCOCC3)s2)c1 ZINC000665195843 565492218 /nfs/dbraw/zinc/49/22/18/565492218.db2.gz RSBVNTAXNSXLOQ-UHFFFAOYSA-N 1 0 384.498 2.637 20 0 GFADRO [NH3+]C[C@@H]1c2ccccc2CCN1C(=O)c1nc(C2CC2)ncc1Br ZINC000623066301 565492699 /nfs/dbraw/zinc/49/26/99/565492699.db2.gz DMKHEFJXHHAHSD-OAHLLOKOSA-N 1 0 387.281 2.815 20 0 GFADRO COC(=O)[C@H](c1cccc(Cl)c1Cl)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000595864648 565495125 /nfs/dbraw/zinc/49/51/25/565495125.db2.gz VCKCPLPHYZFYFA-DYVFJYSZSA-N 1 0 387.307 2.739 20 0 GFADRO Ic1ccc([C@H]2CCCN2C[C@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000595884384 565496167 /nfs/dbraw/zinc/49/61/67/565496167.db2.gz FDXGOXHJSQCNDT-HZPDHXFCSA-N 1 0 398.288 2.949 20 0 GFADRO C[C@H](CC(=O)c1cccc(Br)c1)C(=O)N1CC[C@@H]2C[N@H+](C)C[C@@H]21 ZINC000644811817 565496580 /nfs/dbraw/zinc/49/65/80/565496580.db2.gz BQVNKLOXRUFMOS-XPKDYRNWSA-N 1 0 379.298 2.821 20 0 GFADRO COC(=O)c1sc2c(c1Br)CN(C(=O)C1([NH2+]C3CC3)CCC1)C2 ZINC000596002137 565505339 /nfs/dbraw/zinc/50/53/39/565505339.db2.gz RRFCMLWTZSTWBU-UHFFFAOYSA-N 1 0 399.310 2.814 20 0 GFADRO COC(=O)c1sc2c(c1Br)CN(C(=O)[C@@H]1CC[C@H](C3CC3)[NH2+]1)C2 ZINC000596007108 565505554 /nfs/dbraw/zinc/50/55/54/565505554.db2.gz ZVZDQDQRHOMFQM-MNOVXSKESA-N 1 0 399.310 2.670 20 0 GFADRO C[C@H]([NH3+])[C@H]1COCC[C@H]1NCc1cc(Cl)ccc1I ZINC000596652591 565530819 /nfs/dbraw/zinc/53/08/19/565530819.db2.gz VGTMEIAEZYHLMN-MRCXROJRSA-N 1 0 394.684 2.787 20 0 GFADRO Cc1cc(CNc2ccc(N3CC[NH+](C)CC3)nc2)ncc1Br ZINC000623449814 565511337 /nfs/dbraw/zinc/51/13/37/565511337.db2.gz MDAHTEGTPXLQIF-UHFFFAOYSA-N 1 0 376.302 2.911 20 0 GFADRO C[C@H](CCNC(=O)Nc1cc(Br)ccc1N1CCOCC1)[NH+](C)C ZINC000665777423 565512597 /nfs/dbraw/zinc/51/25/97/565512597.db2.gz DQEJDVVMZOWCQW-CYBMUJFWSA-N 1 0 399.333 2.747 20 0 GFADRO O=C(NC1CC[NH+](C2CC2)CC1)[C@@H]1CCO[C@H]1c1cncc(Br)c1 ZINC000665802412 565512651 /nfs/dbraw/zinc/51/26/51/565512651.db2.gz BOBMCARVZAHMJH-SJORKVTESA-N 1 0 394.313 2.665 20 0 GFADRO O=S(=O)(c1cccs1)N1CC[C@H](C[NH2+]Cc2cccc(O)c2Cl)C1 ZINC000645180767 565515879 /nfs/dbraw/zinc/51/58/79/565515879.db2.gz VTLKCUPAOMZVHR-GFCCVEGCSA-N 1 0 386.926 2.908 20 0 GFADRO C[C@@H](NC(=O)N1CN(CC[NH+](C)C)C(=O)[C@H]1C)c1cc(Cl)ccc1Cl ZINC000645185062 565515985 /nfs/dbraw/zinc/51/59/85/565515985.db2.gz JHJHCSVBDQWTAL-VXGBXAGGSA-N 1 0 387.311 2.816 20 0 GFADRO C[N@@H+]1CC[C@@H](NCCNS(=O)(=O)c2cccc(Cl)c2Cl)CC1(C)C ZINC000623522150 565516754 /nfs/dbraw/zinc/51/67/54/565516754.db2.gz ZAZGYRUAHRZGTB-GFCCVEGCSA-N 1 0 394.368 2.734 20 0 GFADRO C[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)cc(Cl)c2OCCN2CCOCC2)CO1 ZINC000623558969 565517750 /nfs/dbraw/zinc/51/77/50/565517750.db2.gz ONVRGEUEBILCTO-CZUORRHYSA-N 1 0 389.323 2.971 20 0 GFADRO COc1ccc(NC(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)c(Br)c1 ZINC000665951957 565518685 /nfs/dbraw/zinc/51/86/85/565518685.db2.gz FBPVINGZNPQGQK-CYBMUJFWSA-N 1 0 398.301 2.521 20 0 GFADRO Cc1nn(-c2cccc(Br)c2)cc1C[NH2+]C[C@H](O)[C@H]1CCCO1 ZINC000623620081 565520704 /nfs/dbraw/zinc/52/07/04/565520704.db2.gz FJOKQGYRZFEKGN-DLBZAZTESA-N 1 0 380.286 2.573 20 0 GFADRO C[NH+]1CCN(CCNC(=O)c2cc(-c3ccc(Cl)cc3Cl)on2)CC1 ZINC000623610586 565520831 /nfs/dbraw/zinc/52/08/31/565520831.db2.gz ZWWHLLZRUKJPTP-UHFFFAOYSA-N 1 0 383.279 2.626 20 0 GFADRO COCC[N@@H+]1CC[C@H](NC(=O)NCC/C=C/c2ccc(Br)cc2)C1 ZINC000623635020 565521464 /nfs/dbraw/zinc/52/14/64/565521464.db2.gz OIYORPQPKSKQDJ-WVMJFEGXSA-N 1 0 396.329 2.872 20 0 GFADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)c1cc(Br)c2ccccc2c1 ZINC000645383373 565523835 /nfs/dbraw/zinc/52/38/35/565523835.db2.gz UKAWDHGDEYODHK-HNNXBMFYSA-N 1 0 376.298 2.578 20 0 GFADRO CN(C(=O)c1cccc(F)c1Br)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000645398544 565523861 /nfs/dbraw/zinc/52/38/61/565523861.db2.gz JYTWHJHSLKAGEY-AWEZNQCLSA-N 1 0 398.320 2.829 20 0 GFADRO COC(=O)c1cc(N(C)CC2C[NH+](C)C2)c2cc(Br)ccc2n1 ZINC000596452871 565524451 /nfs/dbraw/zinc/52/44/51/565524451.db2.gz HFYGLMWBQYHBOP-UHFFFAOYSA-N 1 0 378.270 2.782 20 0 GFADRO CCOc1cc(C[NH2+][C@H]2C[C@H](C(N)=O)C2)cc(Br)c1OC(F)F ZINC000623663515 565524784 /nfs/dbraw/zinc/52/47/84/565524784.db2.gz OOWVEIBZCFQPKS-MGCOHNPYSA-N 1 0 393.228 2.803 20 0 GFADRO CN1CCOC[C@H]1CNC(=O)NCc1cc(Cl)cc(Cl)c1OC(F)F ZINC000623744569 565527503 /nfs/dbraw/zinc/52/75/03/565527503.db2.gz HOIDWOPREHXOLH-LLVKDONJSA-N 1 0 398.237 2.725 20 0 GFADRO COc1ncc(Br)cc1CNC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000623736743 565527864 /nfs/dbraw/zinc/52/78/64/565527864.db2.gz HIAUHYCNCFQBBC-NSHDSACASA-N 1 0 387.322 2.628 20 0 GFADRO C[C@H](CCNC(=O)Nc1ccc(F)cc1I)[NH+](C)C ZINC000596785316 565535060 /nfs/dbraw/zinc/53/50/60/565535060.db2.gz LPHUFEFSJXHCBD-SECBINFHSA-N 1 0 379.217 2.892 20 0 GFADRO C[NH+](C)CCN(C1CCCCC1)S(=O)(=O)c1ncccc1C(F)(F)F ZINC000645587397 565541295 /nfs/dbraw/zinc/54/12/95/565541295.db2.gz QQCRBCXHFDLKKB-UHFFFAOYSA-N 1 0 379.448 2.985 20 0 GFADRO CC(C)Sc1c(Cl)cccc1NC(=O)C(=O)N1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC000645624332 565544958 /nfs/dbraw/zinc/54/49/58/565544958.db2.gz BCIFGUKTPNTABS-SWLSCSKDSA-N 1 0 381.929 2.942 20 0 GFADRO CS(=O)(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCc2sc(Br)cc21 ZINC000624138780 565545188 /nfs/dbraw/zinc/54/51/88/565545188.db2.gz YZGSFWVYLLYCLQ-IJLUTSLNSA-N 1 0 393.372 2.948 20 0 GFADRO CCOC(=O)C[C@H](NC(=O)NC[C@H](c1cccs1)[NH+](C)C)C(F)(F)F ZINC000597007939 565545573 /nfs/dbraw/zinc/54/55/73/565545573.db2.gz BLFPXZOJVHCMBK-PWSUYJOCSA-N 1 0 381.420 2.534 20 0 GFADRO CC[N@@H+]1CC[C@@H](CNC(=O)Nc2ccc(I)cc2F)C1 ZINC000597018578 565546230 /nfs/dbraw/zinc/54/62/30/565546230.db2.gz QRLCOMCDUYEJBO-JTQLQIEISA-N 1 0 391.228 2.894 20 0 GFADRO CN1CCOC[C@H]1C[NH2+][C@@H](c1cccc(Br)c1)C1CCOCC1 ZINC000624176630 565546744 /nfs/dbraw/zinc/54/67/44/565546744.db2.gz PGJWVEBNDAWTFV-QZTJIDSGSA-N 1 0 383.330 2.837 20 0 GFADRO COCC[NH+](CCOC)C1CCN(c2ncc(Br)cc2F)CC1 ZINC000624215630 565547462 /nfs/dbraw/zinc/54/74/62/565547462.db2.gz VMTLNCYWMBDWEQ-UHFFFAOYSA-N 1 0 390.297 2.547 20 0 GFADRO C[C@H]([NH2+]C[C@@H]1CN(Cc2ccncc2)CCO1)c1cncc(Br)c1 ZINC000624264052 565549797 /nfs/dbraw/zinc/54/97/97/565549797.db2.gz RNZMVPKGZVBAQQ-KBXCAEBGSA-N 1 0 391.313 2.791 20 0 GFADRO COc1ccc(Br)cc1C(=O)CCC(=O)N1CCN(C)C[C@H]1C ZINC000597158304 565553189 /nfs/dbraw/zinc/55/31/89/565553189.db2.gz LMAVLYZVKQBLPT-GFCCVEGCSA-N 1 0 383.286 2.583 20 0 GFADRO Cc1cc(Br)c(F)cc1S(=O)(=O)NCCC1CC[NH2+]CC1 ZINC000624375330 565553821 /nfs/dbraw/zinc/55/38/21/565553821.db2.gz NFLLQVAFLBFYSH-UHFFFAOYSA-N 1 0 379.295 2.565 20 0 GFADRO [NH3+]C[C@@H]1CN(S(=O)(=O)Cc2cc(F)ccc2Cl)CC[C@H]1C(F)(F)F ZINC000624391699 565554727 /nfs/dbraw/zinc/55/47/27/565554727.db2.gz BJZWGXUDBGPOIR-ZYHUDNBSSA-N 1 0 388.814 2.768 20 0 GFADRO CCN(CC[NH3+])S(=O)(=O)c1cc(Br)c(Cl)cc1Cl ZINC000624382458 565554921 /nfs/dbraw/zinc/55/49/21/565554921.db2.gz CJHNVCBKVJRJMT-UHFFFAOYSA-N 1 0 376.103 2.725 20 0 GFADRO Cc1cc(CNC(=O)N[C@H]2CC23CC[NH2+]CC3)ccc1I ZINC000597441908 565561700 /nfs/dbraw/zinc/56/17/00/565561700.db2.gz VZFRUKSERLDMCX-AWEZNQCLSA-N 1 0 399.276 2.541 20 0 GFADRO Cc1cc(Br)cc(NC(=O)C(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)c1 ZINC000645820389 565565156 /nfs/dbraw/zinc/56/51/56/565565156.db2.gz RKMXTXOEBDWUDK-GOSISDBHSA-N 1 0 394.313 2.640 20 0 GFADRO O=C(Cc1cccc(Br)c1)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000624609626 565566135 /nfs/dbraw/zinc/56/61/35/565566135.db2.gz FTSNGEKPJZFEKS-QGZVFWFLSA-N 1 0 381.314 2.705 20 0 GFADRO CC(C)([NH3+])CC(=O)N1CCC(C(=O)Nc2cccc(Br)c2)CC1 ZINC000645841918 565567375 /nfs/dbraw/zinc/56/73/75/565567375.db2.gz WFDRTNAOSBMJFX-UHFFFAOYSA-N 1 0 382.302 2.754 20 0 GFADRO CC(C)CN(Cc1ccccc1Br)C(=O)NC[C@@H]1COCCN1C ZINC000624741762 565573003 /nfs/dbraw/zinc/57/30/03/565573003.db2.gz VEERUGGHFNZLDF-MRXNPFEDSA-N 1 0 398.345 2.947 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CN(C(=O)Nc2cc(Br)c(F)cc2Cl)CCO1 ZINC000667183606 565574480 /nfs/dbraw/zinc/57/44/80/565574480.db2.gz KCMPGTCORSYRAJ-KRTXAFLBSA-N 1 0 380.645 2.822 20 0 GFADRO COc1ccc(Br)cc1C1([NH2+]CCN2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000645973770 565579103 /nfs/dbraw/zinc/57/91/03/565579103.db2.gz LKFLAIQFKFUXGB-GASCZTMLSA-N 1 0 381.314 2.900 20 0 GFADRO CC(C)[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCO[C@H]2c2cncc(Br)c2)C1 ZINC000667377140 565583329 /nfs/dbraw/zinc/58/33/29/565583329.db2.gz LUPUYNQOVUIZLR-XYPHTWIQSA-N 1 0 396.329 2.768 20 0 GFADRO CC[C@H]1CN(C(=O)Nc2cc(Br)cnc2-n2cccn2)CC[C@H]1[NH3+] ZINC000667374781 565583434 /nfs/dbraw/zinc/58/34/34/565583434.db2.gz PGRQWNJCFBRTBX-WCQYABFASA-N 1 0 393.289 2.621 20 0 GFADRO CCN(C(=O)c1ccc(F)c(I)c1)[C@H]1CC[N@H+](C)C1 ZINC000597945930 565583803 /nfs/dbraw/zinc/58/38/03/565583803.db2.gz KHHNZXXHRACFQR-NSHDSACASA-N 1 0 376.213 2.597 20 0 GFADRO Cc1cc(Br)c(F)cc1S(=O)(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000624962220 565585773 /nfs/dbraw/zinc/58/57/73/565585773.db2.gz MQOZDMRZUDCVJJ-NSHDSACASA-N 1 0 379.295 2.611 20 0 GFADRO O=C(C[C@@H]1CC(=O)N1)N(CC[NH+]1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC000667430423 565586348 /nfs/dbraw/zinc/58/63/48/565586348.db2.gz NTVFPPVCGHRLTD-AWEZNQCLSA-N 1 0 384.307 2.696 20 0 GFADRO C[C@@H](CCNC(=O)CCC[S@@](=O)c1ccc(Br)cc1)[NH+](C)C ZINC000597993675 565587327 /nfs/dbraw/zinc/58/73/27/565587327.db2.gz VJYMNYNOSWSFTK-WHEQGISXSA-N 1 0 389.359 2.793 20 0 GFADRO C[NH+](C)CCn1cc(NC(=O)[C@H]2[C@@H]3c4cccc(Br)c4C[C@H]23)cn1 ZINC000624995933 565588249 /nfs/dbraw/zinc/58/82/49/565588249.db2.gz QBBNUCMTDIJMDT-USXIJHARSA-N 1 0 389.297 2.732 20 0 GFADRO CC1([NH3+])CCN(C(=O)C(=O)Nc2ccccc2SCC(F)(F)F)CC1 ZINC000667514404 565592112 /nfs/dbraw/zinc/59/21/12/565592112.db2.gz RVHCUOXJGXILAJ-UHFFFAOYSA-N 1 0 375.416 2.619 20 0 GFADRO C[NH+]1CCC2(CC1)CN(C(=O)Nc1cc(Br)ccc1F)CCO2 ZINC000646269792 565592761 /nfs/dbraw/zinc/59/27/61/565592761.db2.gz ZQVRACQHHUGKRO-UHFFFAOYSA-N 1 0 386.265 2.917 20 0 GFADRO O=C(Nc1ccc(Cl)cc1C(F)(F)F)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000667541824 565593281 /nfs/dbraw/zinc/59/32/81/565593281.db2.gz BOZUXQUWIPIROZ-ZANVPECISA-N 1 0 375.778 2.508 20 0 GFADRO COCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](Cc2cncc(Br)c2C)C1 ZINC000667544077 565593474 /nfs/dbraw/zinc/59/34/74/565593474.db2.gz VFENRFTYGBEEHU-OCCSQVGLSA-N 1 0 384.318 2.516 20 0 GFADRO CC[C@H]1CN(C(=O)C(=O)Nc2cc(Cl)ccc2C(F)(F)F)CC[C@@H]1[NH3+] ZINC000667546816 565593677 /nfs/dbraw/zinc/59/36/77/565593677.db2.gz RXWQMPFZUWZKGQ-CABZTGNLSA-N 1 0 377.794 2.883 20 0 GFADRO CC[C@H]1CN(C(=O)C(=O)Nc2cc(Cl)ccc2Br)CC[C@@H]1[NH3+] ZINC000667550444 565594351 /nfs/dbraw/zinc/59/43/51/565594351.db2.gz MIBVUNRVMWHMJU-CABZTGNLSA-N 1 0 388.693 2.627 20 0 GFADRO CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCO[C@H]2c2cncc(Br)c2)C1 ZINC000667562929 565594441 /nfs/dbraw/zinc/59/44/41/565594441.db2.gz PJWBYRKQLRISOS-XYPHTWIQSA-N 1 0 396.329 2.770 20 0 GFADRO C[NH+]1CCC2(CC1)CN(C(=O)Nc1ccc(F)c(Br)c1)CCO2 ZINC000646291733 565594596 /nfs/dbraw/zinc/59/45/96/565594596.db2.gz BPBKYJHRLLWKKL-UHFFFAOYSA-N 1 0 386.265 2.917 20 0 GFADRO COc1cc(NC(=O)N2CCOC3(CC[NH+](C)CC3)C2)ccc1Br ZINC000646294388 565594683 /nfs/dbraw/zinc/59/46/83/565594683.db2.gz SZLRQPXKQUGKRS-UHFFFAOYSA-N 1 0 398.301 2.786 20 0 GFADRO Cc1cc(Br)c(Cl)cc1NC(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000667690174 565601731 /nfs/dbraw/zinc/60/17/31/565601731.db2.gz RCEXPANWWMCRQY-NSHDSACASA-N 1 0 389.725 2.778 20 0 GFADRO COCCOC[C@@H]1CC[N@@H+]([C@@H]2CCc3cc(Br)ccc3NC2=O)C1 ZINC000625190222 565606070 /nfs/dbraw/zinc/60/60/70/565606070.db2.gz SWYYYSRRYVEPPQ-CXAGYDPISA-N 1 0 397.313 2.687 20 0 GFADRO [NH3+]CC[C@@H](NC(=O)NC[C@@H]1CCN(c2ccc(Cl)cc2)C1)C(F)(F)F ZINC000667865419 565609862 /nfs/dbraw/zinc/60/98/62/565609862.db2.gz BUFISSOAPOWGFN-SMDDNHRTSA-N 1 0 378.826 2.745 20 0 GFADRO CC[NH2+]CCCNC(=O)c1ccc(-n2nc(C)c(Br)c2C)cc1 ZINC000646624180 565611280 /nfs/dbraw/zinc/61/12/80/565611280.db2.gz CPDIQVQZSPBNLJ-UHFFFAOYSA-N 1 0 379.302 2.981 20 0 GFADRO CC[NH+]1CCN(CCCNC(=O)c2cc3cc(Br)sc3[nH]2)CC1 ZINC000646670779 565613823 /nfs/dbraw/zinc/61/38/23/565613823.db2.gz UPYGZGBOLDUUEB-UHFFFAOYSA-N 1 0 399.358 2.749 20 0 GFADRO O=C(NC1CC[NH+](CC2CC2)CC1)c1cc(Br)cc2[nH]c(=O)[nH]c21 ZINC000646690681 565614662 /nfs/dbraw/zinc/61/46/62/565614662.db2.gz MPNNHNVCHYZGBA-UHFFFAOYSA-N 1 0 393.285 2.635 20 0 GFADRO NC(=O)CCC1CC[NH+]([C@H]2CCc3cc(Br)ccc3NC2=O)CC1 ZINC000625280481 565615977 /nfs/dbraw/zinc/61/59/77/565615977.db2.gz JMXVUBUKAFVHOE-INIZCTEOSA-N 1 0 394.313 2.680 20 0 GFADRO CN(Cc1ccncc1Br)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000625342546 565621675 /nfs/dbraw/zinc/62/16/75/565621675.db2.gz HZFRMWCCGXRBJN-LJQANCHMSA-N 1 0 390.325 2.913 20 0 GFADRO Cc1cc(C(=O)N2CCO[C@H]([C@H](C)[NH3+])C2)nn1-c1ccc(Cl)cc1Cl ZINC000646844471 565621824 /nfs/dbraw/zinc/62/18/24/565621824.db2.gz UZBYVYANLRALGY-ZBEGNZNMSA-N 1 0 383.279 2.676 20 0 GFADRO COc1ccc(Br)c2[nH]c(C(=O)N3CC[C@H]4C[N@H+](C)C[C@H]43)cc21 ZINC000646934537 565626524 /nfs/dbraw/zinc/62/65/24/565626524.db2.gz VAANLMWVEMAEOV-IINYFYTJSA-N 1 0 378.270 2.715 20 0 GFADRO CC(C)[C@@H]1CN(C(=O)c2cc(I)ccc2F)CC[NH2+]1 ZINC000598571252 565627434 /nfs/dbraw/zinc/62/74/34/565627434.db2.gz INKCPHPCMFJYEJ-ZDUSSCGKSA-N 1 0 376.213 2.500 20 0 GFADRO C[N@@H+]1CCCC[C@H](CNS(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)C1 ZINC000625419749 565628681 /nfs/dbraw/zinc/62/86/81/565628681.db2.gz KJHBHEUCUOLGOX-LLVKDONJSA-N 1 0 382.860 2.952 20 0 GFADRO C[N@@H+]1CCCC[C@H](CNS(=O)(=O)CCc2ccccc2Br)C1 ZINC000625425281 565629471 /nfs/dbraw/zinc/62/94/71/565629471.db2.gz OQHMCVDAMGDLLV-CQSZACIVSA-N 1 0 389.359 2.643 20 0 GFADRO COCC[C@H](Cc1cccc(Br)c1)C(=O)N1CCC(C)([NH3+])CC1 ZINC000646992492 565631415 /nfs/dbraw/zinc/63/14/15/565631415.db2.gz MHFPGKCTCFEBSQ-OAHLLOKOSA-N 1 0 383.330 2.984 20 0 GFADRO COC(=O)c1cc(C[NH2+]CCCn2cc(Br)cn2)n2c1CCCC2 ZINC000598642916 565631949 /nfs/dbraw/zinc/63/19/49/565631949.db2.gz JBBLZQUBSDIJLU-UHFFFAOYSA-N 1 0 395.301 2.750 20 0 GFADRO C[C@@H](CC(=O)N(CC[NH3+])CCc1ccccc1)n1cc(Br)cn1 ZINC000647036449 565633753 /nfs/dbraw/zinc/63/37/53/565633753.db2.gz FYDZKKXXCVJWSD-AWEZNQCLSA-N 1 0 379.302 2.627 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)CCCc2cccc(Br)c2)CC12CCOCC2 ZINC000647078582 565635690 /nfs/dbraw/zinc/63/56/90/565635690.db2.gz DDPUSGXGRGPKTK-INIZCTEOSA-N 1 0 395.341 2.986 20 0 GFADRO C[NH+](C)C1CC(NC(=O)c2ccc(I)cc2Cl)C1 ZINC000598716299 565637459 /nfs/dbraw/zinc/63/74/59/565637459.db2.gz JBLSIMQIKNZJMI-UHFFFAOYSA-N 1 0 378.641 2.767 20 0 GFADRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)Cc1ccc(Br)cc1F ZINC000668301480 565638337 /nfs/dbraw/zinc/63/83/37/565638337.db2.gz LCLJSGWAHZDIAC-HNNXBMFYSA-N 1 0 387.293 2.700 20 0 GFADRO CCN1CC[NH+](C[C@H](C)CNC(=O)Cc2cccc(C)c2Br)CC1 ZINC000625562596 565638694 /nfs/dbraw/zinc/63/86/94/565638694.db2.gz PFPXUKHENZIUCY-OAHLLOKOSA-N 1 0 396.373 2.690 20 0 GFADRO C[C@@H](NS(=O)(=O)Cc1ccc(Br)cc1Cl)[C@H]1CCC[NH2+]C1 ZINC000647203992 565646019 /nfs/dbraw/zinc/64/60/19/565646019.db2.gz HYFPSAHXRGOVEH-MNOVXSKESA-N 1 0 395.750 2.910 20 0 GFADRO CC(=O)N[C@H](C)c1ccc(S(=O)(=O)NCC[NH2+]C2CCCCCC2)s1 ZINC000647227482 565646790 /nfs/dbraw/zinc/64/67/90/565646790.db2.gz XVEWQSYGKFPVOD-CYBMUJFWSA-N 1 0 387.571 2.536 20 0 GFADRO C[C@H](CCc1ccc(O)cc1)[NH2+]CCNC(=O)c1ccc(Br)cn1 ZINC000668458247 565646994 /nfs/dbraw/zinc/64/69/94/565646994.db2.gz CXECAGBCVYRTGC-CYBMUJFWSA-N 1 0 392.297 2.890 20 0 GFADRO CC(C)(C[NH2+]Cc1cn(-c2ccc(Cl)cc2Cl)nn1)[C@@]1(O)CCOC1 ZINC000647246758 565649564 /nfs/dbraw/zinc/64/95/64/565649564.db2.gz PYJIEJVMVMRBAE-QGZVFWFLSA-N 1 0 385.295 2.841 20 0 GFADRO CC[C@@H]1CN(S(=O)(=O)c2cc(Cl)ccc2Br)CC[C@@H]1[NH3+] ZINC000647269445 565652056 /nfs/dbraw/zinc/65/20/56/565652056.db2.gz SMTKROZMWAWGNQ-SKDRFNHKSA-N 1 0 381.723 2.850 20 0 GFADRO O[C@@H](C[NH2+]Cc1cc(Cl)ccc1I)[C@@H]1CCCO1 ZINC000598991058 565652610 /nfs/dbraw/zinc/65/26/10/565652610.db2.gz TZHWZWMSYDKHBO-STQMWFEESA-N 1 0 381.641 2.574 20 0 GFADRO CO[C@@H](CS(=O)(=O)Nc1ccc(C[NH+](C)C)c(Cl)c1)C1CCOCC1 ZINC000647275368 565653244 /nfs/dbraw/zinc/65/32/44/565653244.db2.gz XNWKCWVPDSFCBY-KRWDZBQOSA-N 1 0 390.933 2.585 20 0 GFADRO COc1cc(C[N@H+](C)C[C@H]2COCCO2)cc(Br)c1OC(F)F ZINC000668541331 565653925 /nfs/dbraw/zinc/65/39/25/565653925.db2.gz FAGJGBOVGNQNRQ-NSHDSACASA-N 1 0 396.228 2.906 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH+]1CCC(O)(CO)CC1 ZINC000668550022 565654677 /nfs/dbraw/zinc/65/46/77/565654677.db2.gz GVJKRXDCVZUOQD-UHFFFAOYSA-N 1 0 394.313 2.571 20 0 GFADRO CN([C@@H](C[NH3+])C1CC1)S(=O)(=O)Cc1ccc(Br)cc1Cl ZINC000647301631 565655712 /nfs/dbraw/zinc/65/57/12/565655712.db2.gz LJQWBKKDMZESJH-ZDUSSCGKSA-N 1 0 381.723 2.601 20 0 GFADRO C[C@H](C[NH2+][C@@H](C)c1cccc(S(=O)(=O)N2CCOCC2)c1)CC(F)F ZINC000647318171 565656900 /nfs/dbraw/zinc/65/69/00/565656900.db2.gz HXYBDMAWEGMWFQ-KBPBESRZSA-N 1 0 376.469 2.649 20 0 GFADRO O=S(=O)(c1c[nH]c2nccc(Cl)c12)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647308862 565657099 /nfs/dbraw/zinc/65/70/99/565657099.db2.gz WRWBLNWRCDVOIC-OLZOCXBDSA-N 1 0 382.917 2.617 20 0 GFADRO O=C(N[C@@H]1CCN(c2ccccc2Br)C1)[C@H]1CCc2nc[nH]c2C1 ZINC000668599191 565657361 /nfs/dbraw/zinc/65/73/61/565657361.db2.gz SMCFQIRXHTXABE-QWHCGFSZSA-N 1 0 389.297 2.672 20 0 GFADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CC[C@H]1c1ccc(Br)cc1 ZINC000668624715 565658279 /nfs/dbraw/zinc/65/82/79/565658279.db2.gz AQQBJXFXXKQMLM-BBRMVZONSA-N 1 0 396.329 2.569 20 0 GFADRO CC[C@H]([NH2+][C@@H](C)c1ccc(S(C)(=O)=O)cc1)C(=O)NCc1cccs1 ZINC000647333069 565658326 /nfs/dbraw/zinc/65/83/26/565658326.db2.gz KXHIJCXIDBIKRU-GUYCJALGSA-N 1 0 380.535 2.897 20 0 GFADRO COc1cc(Br)ccc1[C@H]1CCC[N@@H+]1CCC(=O)N1CCOCC1 ZINC000625793306 565659479 /nfs/dbraw/zinc/65/94/79/565659479.db2.gz SNMCYIIDMOFPSF-MRXNPFEDSA-N 1 0 397.313 2.844 20 0 GFADRO OC[C@@]1([NH2+]Cc2cn3cccnc3n2)CCc2cc(Br)ccc2C1 ZINC000625794267 565659569 /nfs/dbraw/zinc/65/95/69/565659569.db2.gz FWFVXYKUYIPEFF-GOSISDBHSA-N 1 0 387.281 2.501 20 0 GFADRO O=C(C[NH2+][C@@]1(CO)CCc2cc(Br)ccc2C1)N1CCCCCC1 ZINC000625795605 565660714 /nfs/dbraw/zinc/66/07/14/565660714.db2.gz XETATZBTFIYGGB-IBGZPJMESA-N 1 0 395.341 2.661 20 0 GFADRO CC(C)n1ncnc1C[NH2+][C@@]1(CO)CCc2cc(Br)ccc2C1 ZINC000625796761 565660959 /nfs/dbraw/zinc/66/09/59/565660959.db2.gz MAYQSNCKXOMEOW-KRWDZBQOSA-N 1 0 379.302 2.631 20 0 GFADRO C[C@@H](c1ccc(Br)cc1)[NH+]1CCC(n2cc(C(N)=O)nn2)CC1 ZINC000625807521 565661729 /nfs/dbraw/zinc/66/17/29/565661729.db2.gz SQSFJWLEJOCLDO-NSHDSACASA-N 1 0 378.274 2.538 20 0 GFADRO O[C@@H](C[NH2+][C@H]1CCCC[C@@H]1O)COc1ccc(Cl)cc1Br ZINC000647524449 565662923 /nfs/dbraw/zinc/66/29/23/565662923.db2.gz MAGCGLJHXBQNCE-UBHSHLNASA-N 1 0 378.694 2.735 20 0 GFADRO OC[C@H](C[NH2+]C[C@H](O)Cc1ccc(F)cc1)Cc1cccc(Br)c1 ZINC000647535054 565663532 /nfs/dbraw/zinc/66/35/32/565663532.db2.gz COBXAFZTRWQVIR-QFBILLFUSA-N 1 0 396.300 2.932 20 0 GFADRO OC[C@@H](C[NH2+]C[C@@H](O)COc1ccc(Cl)c(Cl)c1)Cc1cccnc1 ZINC000647535123 565663743 /nfs/dbraw/zinc/66/37/43/565663743.db2.gz LXBNVHNWYXBMKV-HUUCEWRRSA-N 1 0 385.291 2.569 20 0 GFADRO OC[C@H](C[NH2+]C[C@@H](O)COc1ccc(Cl)c(Cl)c1)Cc1cccnc1 ZINC000647535124 565664132 /nfs/dbraw/zinc/66/41/32/565664132.db2.gz LXBNVHNWYXBMKV-LSDHHAIUSA-N 1 0 385.291 2.569 20 0 GFADRO C[C@@H]1C[N@H+](Cc2ccc(Br)cc2N2CCOCC2)C[C@]1(C)CO ZINC000668737294 565664834 /nfs/dbraw/zinc/66/48/34/565664834.db2.gz OQKDYNQTOVKAMX-RDTXWAMCSA-N 1 0 383.330 2.736 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)N[C@@H](c2nccs2)C(F)(F)F)CC[C@@H]1C(F)(F)F ZINC000625890528 565666071 /nfs/dbraw/zinc/66/60/71/565666071.db2.gz LQEBBKHVWVKCMS-VGMNWLOBSA-N 1 0 390.353 2.915 20 0 GFADRO C[NH+](C)C[C@@]1(O)CCCN(C(=O)CCCOc2cccc(Br)c2)C1 ZINC000647624677 565667042 /nfs/dbraw/zinc/66/70/42/565667042.db2.gz JJMDAPHXYLAGID-SFHVURJKSA-N 1 0 399.329 2.523 20 0 GFADRO C[N@@H+]1CCCC[C@H]1C(=O)N1CCN(C(=O)c2cccc(Cl)c2Cl)CC1 ZINC000599311642 565668728 /nfs/dbraw/zinc/66/87/28/565668728.db2.gz CWXKQKXFPVMAEM-HNNXBMFYSA-N 1 0 384.307 2.762 20 0 GFADRO Cc1cc(Br)c(F)c(C(=O)NCCN2CCC([NH+](C)C)CC2)c1 ZINC000625994105 565669806 /nfs/dbraw/zinc/66/98/06/565669806.db2.gz YIPATHQYRLAXPC-UHFFFAOYSA-N 1 0 386.309 2.652 20 0 GFADRO O=C(N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1)C1(c2ccc(Br)cc2)CCC1 ZINC000647709566 565672292 /nfs/dbraw/zinc/67/22/92/565672292.db2.gz YTYUQXDRYNYESD-IRXDYDNUSA-N 1 0 393.325 2.538 20 0 GFADRO CN(CCN1CC[NH2+]CC1)C(=O)c1cc(Br)cc2ccccc21 ZINC000647776426 565675886 /nfs/dbraw/zinc/67/58/86/565675886.db2.gz DMGCGJWWCQRULI-UHFFFAOYSA-N 1 0 376.298 2.580 20 0 GFADRO CC(=O)NC[C@H]1CCCC[N@@H+]1C[C@H](O)COc1cc(Cl)ccc1Cl ZINC000626154168 565678995 /nfs/dbraw/zinc/67/89/95/565678995.db2.gz IWPZHTWMYVNJBK-CABCVRRESA-N 1 0 375.296 2.724 20 0 GFADRO COCCC[N@H+](C)CCNC(=O)Cc1c(Cl)cccc1Br ZINC000669188419 565680865 /nfs/dbraw/zinc/68/08/65/565680865.db2.gz WHCGQOMKLRHVFN-UHFFFAOYSA-N 1 0 377.710 2.730 20 0 GFADRO Cc1cc(NC(=O)COCC[NH3+])n(-c2cc(C(F)(F)F)ccc2Cl)n1 ZINC000647898399 565682312 /nfs/dbraw/zinc/68/23/12/565682312.db2.gz VKJLOGNWYYOVNX-UHFFFAOYSA-N 1 0 376.766 2.767 20 0 GFADRO NC(=O)[C@H](c1cccc(Br)c1)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647978394 565686310 /nfs/dbraw/zinc/68/63/10/565686310.db2.gz RIMHFUHOHXYGBZ-VYDXJSESSA-N 1 0 380.330 2.687 20 0 GFADRO COC(=O)CNC(=O)CC[N@H+](Cc1ccc(Br)cc1)C(C)(C)C ZINC000599525675 565686329 /nfs/dbraw/zinc/68/63/29/565686329.db2.gz PQMJITPZKIKBOK-UHFFFAOYSA-N 1 0 385.302 2.729 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CN(C(=O)NCC2(c3ccc(Br)cc3)CCC2)CCO1 ZINC000669403442 565686719 /nfs/dbraw/zinc/68/67/19/565686719.db2.gz FAJFWBOSZGURFA-CZUORRHYSA-N 1 0 396.329 2.628 20 0 GFADRO C[C@@H](NC(=O)N[C@H]1CCC[NH2+]CC1)c1cc2c(cc1Br)OCCO2 ZINC000669399093 565686754 /nfs/dbraw/zinc/68/67/54/565686754.db2.gz ZAUYRNOBGMBZHZ-NEPJUHHUSA-N 1 0 398.301 2.723 20 0 GFADRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1Cc1cc(Br)c(Cl)s1 ZINC000648065295 565689821 /nfs/dbraw/zinc/68/98/21/565689821.db2.gz AEJCAFPUQCQSEB-SECBINFHSA-N 1 0 380.739 2.716 20 0 GFADRO Cc1ccc(SCC(F)(F)F)c(NC(=O)NCC[N@@H+]2CC[C@@H](O)C2)c1 ZINC000626394025 565690081 /nfs/dbraw/zinc/69/00/81/565690081.db2.gz QMNOJRZWCHGKNK-GFCCVEGCSA-N 1 0 377.432 2.838 20 0 GFADRO CC1(OCC(=O)NCCCCSc2ccccc2Br)C[NH2+]C1 ZINC000648079422 565690327 /nfs/dbraw/zinc/69/03/27/565690327.db2.gz LKEQVLLAQFANMI-UHFFFAOYSA-N 1 0 387.343 2.816 20 0 GFADRO CC[C@@H]1CN(C(=O)N[C@@H]2CCN(c3ccccc3Br)C2)CC[C@H]1[NH3+] ZINC000669475998 565690684 /nfs/dbraw/zinc/69/06/84/565690684.db2.gz GPLQOGUKWWWYCE-IIAWOOMASA-N 1 0 395.345 2.797 20 0 GFADRO CC[C@@H]1CN(C(=O)C[C@H](NC(C)=O)c2ccc(Br)cc2)CC[C@@H]1[NH3+] ZINC000648125073 565690903 /nfs/dbraw/zinc/69/09/03/565690903.db2.gz IUKBVEYFFPDEON-COXVUDFISA-N 1 0 396.329 2.602 20 0 GFADRO COC(=O)[C@]1(NCC[C@@H]2CCC[N@@H+]2C)CCc2cc(Br)ccc2C1 ZINC000599595741 565691564 /nfs/dbraw/zinc/69/15/64/565691564.db2.gz XNJMCRPUIGLCJR-HKUYNNGSSA-N 1 0 395.341 2.924 20 0 GFADRO C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)Nc1ccc(I)cc1)C2 ZINC000599596062 565691785 /nfs/dbraw/zinc/69/17/85/565691785.db2.gz MRNXKCVRVLRMAZ-GASCZTMLSA-N 1 0 385.249 2.755 20 0 GFADRO [NH3+]C1(C(=O)N[C@H]2COc3cc(F)c(Br)cc32)Cc2ccccc2C1 ZINC000648175164 565692074 /nfs/dbraw/zinc/69/20/74/565692074.db2.gz ZDHQNLWEDURREA-HNNXBMFYSA-N 1 0 391.240 2.634 20 0 GFADRO COC1(C(=O)Nc2cc(C)n(-c3ccc(Cl)cc3Cl)n2)CC[NH2+]CC1 ZINC000648160439 565692125 /nfs/dbraw/zinc/69/21/25/565692125.db2.gz HMEOBHMMTJKFFL-UHFFFAOYSA-N 1 0 383.279 3.195 20 0 GFADRO COc1cc(I)ccc1NC(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000599604517 565692150 /nfs/dbraw/zinc/69/21/50/565692150.db2.gz AXFVVYIXIMQKCN-MWLCHTKSSA-N 1 0 389.237 2.562 20 0 GFADRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)NCCc3c[nH]c4ccc(Br)cc34)C[C@H]12 ZINC000669557328 565692374 /nfs/dbraw/zinc/69/23/74/565692374.db2.gz NMQZPDARLKWXKT-UHOFOFEASA-N 1 0 391.313 2.852 20 0 GFADRO COc1ccc(I)c(NC(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)c1 ZINC000599600170 565692684 /nfs/dbraw/zinc/69/26/84/565692684.db2.gz ZIVIWHOGJJBNRP-VHSXEESVSA-N 1 0 389.237 2.562 20 0 GFADRO C[NH+](C)CCn1cc(NC(=O)CCc2cccc(F)c2Br)cn1 ZINC000648233154 565695873 /nfs/dbraw/zinc/69/58/73/565695873.db2.gz MHMVKNDTJHLNMA-UHFFFAOYSA-N 1 0 383.265 2.918 20 0 GFADRO CCC(O)(CC)C[N@H+](C)CC(=O)Nc1cccc(I)c1 ZINC000599673643 565696232 /nfs/dbraw/zinc/69/62/32/565696232.db2.gz SEAXPMAVUJTSEF-UHFFFAOYSA-N 1 0 390.265 2.713 20 0 GFADRO CS[C@H]1CN(C(=O)c2ccc(Br)c(F)c2F)C[C@@H]1[NH+](C)C ZINC000599721723 565698294 /nfs/dbraw/zinc/69/82/94/565698294.db2.gz QIBPGRYMMKKPHR-QWRGUYRKSA-N 1 0 379.270 2.845 20 0 GFADRO Cc1cc(N2CC[NH+](C[C@@H](C)O)CC2)c2cc(Br)cc(F)c2n1 ZINC000599882784 565704760 /nfs/dbraw/zinc/70/47/60/565704760.db2.gz ZQWNHOBHARBYMV-GFCCVEGCSA-N 1 0 382.277 2.948 20 0 GFADRO CC(C)[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000669905575 565706500 /nfs/dbraw/zinc/70/65/00/565706500.db2.gz JHAOHVPCPLDYOU-CZUORRHYSA-N 1 0 383.945 2.756 20 0 GFADRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)c2c3ccc(Br)cc3nn2C)C1 ZINC000648414015 565711618 /nfs/dbraw/zinc/71/16/18/565711618.db2.gz GSGCKNOWWBHACZ-CYBMUJFWSA-N 1 0 379.302 2.891 20 0 GFADRO Cc1c(Cl)cccc1-n1ccnc1SCC(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC000600042916 565712162 /nfs/dbraw/zinc/71/21/62/565712162.db2.gz WBCFGGNJGGVMBD-AWEZNQCLSA-N 1 0 378.929 2.994 20 0 GFADRO O=C(Nc1cc(Cl)c(Cl)cc1Cl)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000626849079 565713561 /nfs/dbraw/zinc/71/35/61/565713561.db2.gz MBXPHFUXCJQQLC-LBPRGKRZSA-N 1 0 376.671 2.986 20 0 GFADRO Cc1ccc(NC(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1Cl ZINC000626860924 565713566 /nfs/dbraw/zinc/71/35/66/565713566.db2.gz DXQMLBRZELOVNO-ZYHUDNBSSA-N 1 0 377.794 2.573 20 0 GFADRO Cc1cc(Cl)cc(NC(=O)C(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)c1Br ZINC000626891989 565714062 /nfs/dbraw/zinc/71/40/62/565714062.db2.gz DTTGLBXJKQYPBT-GXSJLCMTSA-N 1 0 388.693 2.606 20 0 GFADRO Cc1cc(Br)c(F)c(C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000626895747 565714211 /nfs/dbraw/zinc/71/42/11/565714211.db2.gz NRJZWYRPJKPPHH-UHFFFAOYSA-N 1 0 386.309 2.652 20 0 GFADRO Cc1cc(Br)cc(Cl)c1NC(=O)C(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000626888522 565714496 /nfs/dbraw/zinc/71/44/96/565714496.db2.gz VOCPXCQTXSIZEX-GXSJLCMTSA-N 1 0 388.693 2.606 20 0 GFADRO C[C@H]1CC[C@@H](NC(=O)C(=O)Nc2cccnc2-c2ccc(Cl)s2)C[NH2+]1 ZINC000626892911 565714557 /nfs/dbraw/zinc/71/45/57/565714557.db2.gz IZPKZDJSGPKIED-WDEREUQCSA-N 1 0 378.885 2.659 20 0 GFADRO O=C(NC[C@H]1C[N@@H+]2CCN1CCC2)c1cc2cc(Br)ccc2s1 ZINC000626927025 565715010 /nfs/dbraw/zinc/71/50/10/565715010.db2.gz RKQCCEGBJSAFCS-AWEZNQCLSA-N 1 0 394.338 2.784 20 0 GFADRO C[NH2+]CCOCCN(C)C(=O)NCCc1ccc(-c2csc(C)n2)s1 ZINC000626926553 565715505 /nfs/dbraw/zinc/71/55/05/565715505.db2.gz KNZMDJKKLSOKRN-UHFFFAOYSA-N 1 0 382.555 2.600 20 0 GFADRO CN(CCOCC[NH3+])C(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000626938540 565715910 /nfs/dbraw/zinc/71/59/10/565715910.db2.gz TUDSKDIPHRFDSJ-UWVGGRQHSA-N 1 0 379.345 2.513 20 0 GFADRO O=C(N[C@@H]1CC[NH2+]C12CCC2)N[C@H]1CCOc2ccc(Br)cc21 ZINC000626946956 565716269 /nfs/dbraw/zinc/71/62/69/565716269.db2.gz GPIMEONZQHLWKB-DZGCQCFKSA-N 1 0 380.286 2.857 20 0 GFADRO C[C@@H](CNC(=O)N[C@@H]1CC[NH2+]C12CCC2)Oc1cccc(Br)c1 ZINC000626990466 565717970 /nfs/dbraw/zinc/71/79/70/565717970.db2.gz YFWLEYXIKMKDRO-SWLSCSKDSA-N 1 0 382.302 2.800 20 0 GFADRO O=C1NC(=O)C2(CCC([NH2+][C@H]3CCc4c3ccc(F)c4Br)CC2)N1 ZINC000648582533 565718597 /nfs/dbraw/zinc/71/85/97/565718597.db2.gz RPYUAEAQEUQHJS-IURFTDTPSA-N 1 0 396.260 2.686 20 0 GFADRO [NH3+]CCCOCCNC(=O)N[C@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000627016376 565719679 /nfs/dbraw/zinc/71/96/79/565719679.db2.gz KUXLRAXFDGYCDM-HNNXBMFYSA-N 1 0 388.281 2.704 20 0 GFADRO CC[C@@H](NC(=O)N(C)CCOCC[NH3+])c1cc(F)cc(Br)c1 ZINC000627017039 565719684 /nfs/dbraw/zinc/71/96/84/565719684.db2.gz YSLHNPXHHBJUIG-CQSZACIVSA-N 1 0 376.270 2.656 20 0 GFADRO CN(CCOCC[NH3+])C(=O)N[C@H]1CCCN(c2ccc(Cl)cc2Cl)C1 ZINC000627019304 565719876 /nfs/dbraw/zinc/71/98/76/565719876.db2.gz XUWXVRGLPMAMQU-AWEZNQCLSA-N 1 0 389.327 2.579 20 0 GFADRO O=C(COc1cccc(Br)c1)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000670392036 565721290 /nfs/dbraw/zinc/72/12/90/565721290.db2.gz RGKCZKCAMZSNSZ-MRXNPFEDSA-N 1 0 397.313 2.541 20 0 GFADRO O=C(c1ccc(F)cc1Br)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000670390373 565721460 /nfs/dbraw/zinc/72/14/60/565721460.db2.gz FXDUXUCFDMBBIS-AWEZNQCLSA-N 1 0 385.277 2.915 20 0 GFADRO O=C(NC[C@@H]1C[N@@H+]2CCN1CCC2)c1csc(-c2ccccc2Cl)n1 ZINC000670407295 565721636 /nfs/dbraw/zinc/72/16/36/565721636.db2.gz OBMUDCUBOPUEAW-CYBMUJFWSA-N 1 0 376.913 2.583 20 0 GFADRO O=C(COc1cccc(Br)c1)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000670392035 565721787 /nfs/dbraw/zinc/72/17/87/565721787.db2.gz RGKCZKCAMZSNSZ-INIZCTEOSA-N 1 0 397.313 2.541 20 0 GFADRO [NH3+]C1(CNC(=O)N(Cc2cccc(Br)c2)C2CC2)CCOCC1 ZINC000627153945 565723435 /nfs/dbraw/zinc/72/34/35/565723435.db2.gz BFPMAZKLCRPIHG-UHFFFAOYSA-N 1 0 382.302 2.631 20 0 GFADRO [NH3+]C1(CNC(=O)N2CCC[C@@H]2c2ccc(Br)s2)CCOCC1 ZINC000627150188 565723644 /nfs/dbraw/zinc/72/36/44/565723644.db2.gz DDJOEERNQMFUNU-LLVKDONJSA-N 1 0 388.331 2.865 20 0 GFADRO C[C@@H](CC(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C)n1cc(Br)cn1 ZINC000648743253 565726079 /nfs/dbraw/zinc/72/60/79/565726079.db2.gz SUYWURYCJNVMTL-YOEHRIQHSA-N 1 0 393.329 2.886 20 0 GFADRO C[C@H]1C[C@H](N(C)C(=O)C(=O)NCCc2ccc(Cl)cc2Cl)CC[N@@H+]1C ZINC000670495745 565725996 /nfs/dbraw/zinc/72/59/96/565725996.db2.gz RSZQFTXBTCIYGE-SWLSCSKDSA-N 1 0 386.323 2.593 20 0 GFADRO CC[C@H](Cc1cccc(Br)c1)C(=O)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000627259187 565728164 /nfs/dbraw/zinc/72/81/64/565728164.db2.gz ONCRLPRGIPBKTE-NXHRZFHOSA-N 1 0 395.341 2.685 20 0 GFADRO O=C(N[C@@H]1CC[NH2+]C1)N1CCN(c2cc(Cl)c(Cl)c(Cl)c2)CC1 ZINC000627253438 565728784 /nfs/dbraw/zinc/72/87/84/565728784.db2.gz ZQWOCEAOASBAJV-SNVBAGLBSA-N 1 0 377.703 2.840 20 0 GFADRO Cc1cc(C(C)(C)C(=O)N2CC[C@@H]([N@@H+]3CC[C@H](O)C3)C2)ccc1Br ZINC000627267774 565730266 /nfs/dbraw/zinc/73/02/66/565730266.db2.gz SDEUYRZRNYHYNY-CVEARBPZSA-N 1 0 395.341 2.703 20 0 GFADRO Cc1cc2c(o1)c(C(=O)N1CC[C@@H]([N@@H+]3CC[C@@H](O)C3)C1)ccc2Br ZINC000627264197 565730602 /nfs/dbraw/zinc/73/06/02/565730602.db2.gz PUCRTIDSINHFDC-CHWSQXEVSA-N 1 0 393.281 2.785 20 0 GFADRO O=C(NCc1ccc(Cl)o1)C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000670625785 565734946 /nfs/dbraw/zinc/73/49/46/565734946.db2.gz MDFFJIARAPIOAD-ZDUSSCGKSA-N 1 0 381.885 2.564 20 0 GFADRO COCCCN(C(=O)c1cc(O)cc(Br)c1)C1CC[NH+](C)CC1 ZINC000627402421 565735528 /nfs/dbraw/zinc/73/55/28/565735528.db2.gz FKNYMTHPPDSBQQ-UHFFFAOYSA-N 1 0 385.302 2.728 20 0 GFADRO Cn1ccnc1[C@H]1C[C@H]([NH2+]Cc2cnc3ccc(Br)cn23)CCO1 ZINC000648870284 565736721 /nfs/dbraw/zinc/73/67/21/565736721.db2.gz VUEGMAHIWNBGEH-UKRRQHHQSA-N 1 0 390.285 2.840 20 0 GFADRO COc1cc(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc(Br)c1OC ZINC000670772683 565737110 /nfs/dbraw/zinc/73/71/10/565737110.db2.gz WYGDZQILQCKGHO-OLZOCXBDSA-N 1 0 383.286 2.823 20 0 GFADRO C[C@@H]1CC[C@H](NC(=O)C(=O)N(Cc2ccc(Cl)c(Cl)c2)C2CC2)C[NH2+]1 ZINC000627484425 565737441 /nfs/dbraw/zinc/73/74/41/565737441.db2.gz YDYOTCXSXJZUCS-YPMHNXCESA-N 1 0 384.307 2.741 20 0 GFADRO C[C@@H]1[C@H](C(=O)NCc2c(Br)cncc2Br)CC[N@@H+]1C ZINC000648918060 565739563 /nfs/dbraw/zinc/73/95/63/565739563.db2.gz KYUQBZCZXZOSEE-RKDXNWHRSA-N 1 0 391.107 2.563 20 0 GFADRO Cc1ccc(CC(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)c(Br)c1 ZINC000648936746 565740614 /nfs/dbraw/zinc/74/06/14/565740614.db2.gz IQKHJQZRQHUSNO-KRWDZBQOSA-N 1 0 394.357 2.538 20 0 GFADRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)c1ccc(C(F)(F)F)cc1Cl ZINC000649072888 565746188 /nfs/dbraw/zinc/74/61/88/565746188.db2.gz KSTPAXVKNBWTKN-SNVBAGLBSA-N 1 0 377.794 2.551 20 0 GFADRO CN(Cc1ccccc1Br)C(=O)CN(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000600726179 565746626 /nfs/dbraw/zinc/74/66/26/565746626.db2.gz LHWIJZCKBBTPBQ-INIZCTEOSA-N 1 0 380.330 2.576 20 0 GFADRO CCOC(=O)COc1c(Br)cc(C)cc1CN[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000600773363 565749674 /nfs/dbraw/zinc/74/96/74/565749674.db2.gz HBPXWRAHDRXURU-HIFRSBDPSA-N 1 0 399.329 2.930 20 0 GFADRO O=C(COc1ccccc1Br)N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000627740736 565749915 /nfs/dbraw/zinc/74/99/15/565749915.db2.gz DBPDURIUPXBVOZ-UHFFFAOYSA-N 1 0 397.313 2.541 20 0 GFADRO CSc1nnc(CCC[NH2+][C@@H]2CCC[C@@H](S(C)(=O)=O)C2)n1CC(C)C ZINC000671111872 565752744 /nfs/dbraw/zinc/75/27/44/565752744.db2.gz SOVDCPCBYQMSNT-HUUCEWRRSA-N 1 0 388.603 2.534 20 0 GFADRO Cc1cc(Br)cc(NC(=O)C(=O)NC[C@@H]2CCCC[N@@H+](C)C2)c1 ZINC000627827097 565754950 /nfs/dbraw/zinc/75/49/50/565754950.db2.gz PYOUPQHUSSDWKK-ZDUSSCGKSA-N 1 0 382.302 2.544 20 0 GFADRO C[C@@H](CNC(=O)N1CC[NH+]2CCC1CC2)Oc1ccccc1Br ZINC000671206213 565757784 /nfs/dbraw/zinc/75/77/84/565757784.db2.gz KIOSYLYUGBBSQA-ZDUSSCGKSA-N 1 0 382.302 2.706 20 0 GFADRO CS(=O)(=O)c1cc(CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc(C(F)(F)F)c1 ZINC000671300530 565760363 /nfs/dbraw/zinc/76/03/63/565760363.db2.gz OPBLMMNSPNSWAB-HUUCEWRRSA-N 1 0 376.444 2.825 20 0 GFADRO CC[NH+]1CCN([C@H]2CCN(C(=O)c3scc(Br)c3C)C2)CC1 ZINC000601042792 565763515 /nfs/dbraw/zinc/76/35/15/565763515.db2.gz JLORUGHUSKAXJX-ZDUSSCGKSA-N 1 0 386.359 2.671 20 0 GFADRO COC[C@H]1C[C@@H](O)C[N@@H+]1CCCC(=O)Nc1c(C)cc(Br)cc1C ZINC000649763839 565776876 /nfs/dbraw/zinc/77/68/76/565776876.db2.gz GIAMMXMSDJTNBC-HZPDHXFCSA-N 1 0 399.329 2.866 20 0 GFADRO COC[C@@H]1C[C@@H](O)C[N@@H+]1CC(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000649743455 565777024 /nfs/dbraw/zinc/77/70/24/565777024.db2.gz SKGRZRLCDLYYCB-JJRVBVJISA-N 1 0 387.307 2.739 20 0 GFADRO C[C@H](CO)C1CC[NH+]([C@H]2CCN(c3cccc(Br)c3)C2=O)CC1 ZINC000649798559 565778752 /nfs/dbraw/zinc/77/87/52/565778752.db2.gz CJPYNCQWNNRLEY-DYVFJYSZSA-N 1 0 381.314 2.895 20 0 GFADRO Cc1cc(CN2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)ncc1Br ZINC000628280027 565782164 /nfs/dbraw/zinc/78/21/64/565782164.db2.gz MFSLLHSTFHZLPD-JWTNVVGKSA-N 1 0 393.373 2.895 20 0 GFADRO C[N@H+](Cc1cc(Br)cc(Br)c1)[C@]1(CO)CCOC1 ZINC000628367788 565786246 /nfs/dbraw/zinc/78/62/46/565786246.db2.gz SKPSJQANSVVXIC-ZDUSSCGKSA-N 1 0 379.092 2.795 20 0 GFADRO C[C@@H](C[NH+]1CCC(n2cc(C(N)=O)nn2)CC1)c1cccc(Br)c1 ZINC000628426045 565789705 /nfs/dbraw/zinc/78/97/05/565789705.db2.gz GYEULOQXQWJBQN-LBPRGKRZSA-N 1 0 392.301 2.580 20 0 GFADRO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N[C@@H]1CCSc2ccc(Cl)cc21 ZINC000671932415 565791901 /nfs/dbraw/zinc/79/19/01/565791901.db2.gz IIGAJNLMGHYAPC-IUODEOHRSA-N 1 0 383.945 2.840 20 0 GFADRO O=C(CN1CC[C@@H](c2cccc(Br)c2)C1)N1CCOC[C@H]1C1CC1 ZINC000650009852 565792412 /nfs/dbraw/zinc/79/24/12/565792412.db2.gz NBHROKUXKLHDHT-AEFFLSMTSA-N 1 0 393.325 2.876 20 0 GFADRO C[NH+](C)CCCCC(=O)N[C@@]1(CO)CCc2cc(Br)ccc2C1 ZINC000628682234 565803239 /nfs/dbraw/zinc/80/32/39/565803239.db2.gz NIQGNHJVJFLRDF-SFHVURJKSA-N 1 0 383.330 2.517 20 0 GFADRO C[NH+](C)C1CCN(S(=O)(=O)c2cc(Br)cc3cccnc32)CC1 ZINC000672377009 565803782 /nfs/dbraw/zinc/80/37/82/565803782.db2.gz SJENTTQMXJOHMU-UHFFFAOYSA-N 1 0 398.326 2.712 20 0 GFADRO COc1cc(C(=O)NC[C@H]2CCCC[N@H+](C)C2)cc(OC)c1Br ZINC000628741525 565804606 /nfs/dbraw/zinc/80/46/06/565804606.db2.gz LMEWRGYEUBSOEF-GFCCVEGCSA-N 1 0 385.302 2.928 20 0 GFADRO C[N@@H+]1CCCC[C@H](CNC(=O)C2(c3cccc(Br)c3)CC(=O)C2)C1 ZINC000628755777 565806547 /nfs/dbraw/zinc/80/65/47/565806547.db2.gz XPNGZQZNJZKIBS-CQSZACIVSA-N 1 0 393.325 2.898 20 0 GFADRO CC(=O)c1ccc(OCC(=O)NC2CC[NH+](C3CC3)CC2)c(Br)c1 ZINC000650337817 565814922 /nfs/dbraw/zinc/81/49/22/565814922.db2.gz LKZFLIVXXOLRLM-UHFFFAOYSA-N 1 0 395.297 2.774 20 0 GFADRO Ic1ccccc1OC1CCN(CC23CC(C2)C[NH2+]3)CC1 ZINC000602020351 565816124 /nfs/dbraw/zinc/81/61/24/565816124.db2.gz KAYSDVAZSAKJBS-UHFFFAOYSA-N 1 0 398.288 2.886 20 0 GFADRO CC1(C)CN(C(=O)N[C@H]2CCc3c2cccc3Br)CC[N@@H+]1CCO ZINC000672821720 565817998 /nfs/dbraw/zinc/81/79/98/565817998.db2.gz TWRGBDIYYVTCLB-INIZCTEOSA-N 1 0 396.329 2.535 20 0 GFADRO CC(C)[NH2+][C@@H]1CCCN(C(=O)CCCS(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000672824213 565818598 /nfs/dbraw/zinc/81/85/98/565818598.db2.gz FNOFTCLMWFGBMX-MRXNPFEDSA-N 1 0 386.945 2.883 20 0 GFADRO CC[N@@H+]1C[C@H](C)N(C(=O)c2cnc3ncc(Br)cc3c2)C[C@H]1C ZINC000672918468 565821784 /nfs/dbraw/zinc/82/17/84/565821784.db2.gz YTDGVGCWGLRWQI-NEPJUHHUSA-N 1 0 377.286 2.947 20 0 GFADRO CC[N@@H+]1CC[C@H](CNC(=O)c2ccc3[nH]cc(I)c3c2)C1 ZINC000602080673 565822009 /nfs/dbraw/zinc/82/20/09/565822009.db2.gz QVHKGHGKJDCOAF-LLVKDONJSA-N 1 0 397.260 2.844 20 0 GFADRO COC(=O)C[C@@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)c1cccc(Br)c1 ZINC000602082197 565822536 /nfs/dbraw/zinc/82/25/36/565822536.db2.gz CHFOTZZDNJXYTM-SWLSCSKDSA-N 1 0 383.286 2.511 20 0 GFADRO CC(C)OCC[NH+]1CCN(Cc2cn3cc(Br)ccc3n2)CC1 ZINC000673717185 565845711 /nfs/dbraw/zinc/84/57/11/565845711.db2.gz KFEPIXHHUZLSEC-UHFFFAOYSA-N 1 0 381.318 2.639 20 0 GFADRO Cc1sc(NC(=O)C2([S@@](C)=O)CC[NH2+]CC2)nc1-c1ccc(C)cc1 ZINC000602429038 565847454 /nfs/dbraw/zinc/84/74/54/565847454.db2.gz BZYFKJXPRMHDOV-RUZDIDTESA-N 1 0 377.535 2.866 20 0 GFADRO C[S@@](=O)C1(C(=O)Nc2ccc(Cl)c(Br)c2)CC[NH2+]CC1 ZINC000602456201 565848800 /nfs/dbraw/zinc/84/88/00/565848800.db2.gz VXKHYFUKRAWOGI-HXUWFJFHSA-N 1 0 379.707 2.542 20 0 GFADRO CCOC(=O)c1sc2ccsc2c1CNC(=O)[C@]1(C[NH3+])CCCOC1 ZINC000602455066 565849011 /nfs/dbraw/zinc/84/90/11/565849011.db2.gz PWYOEICVLMAHJN-KRWDZBQOSA-N 1 0 382.507 2.511 20 0 GFADRO C[NH+](C)CCOc1ccc(CNC(=O)c2nscc2Br)cc1 ZINC000651239095 565851962 /nfs/dbraw/zinc/85/19/62/565851962.db2.gz VJIGNZODUADZDH-UHFFFAOYSA-N 1 0 384.299 2.776 20 0 GFADRO C[C@@H](NC(=O)CN1CC[NH+](C(C)(C)CO)CC1)c1ccc(Cl)c(Cl)c1 ZINC000673897257 565852290 /nfs/dbraw/zinc/85/22/90/565852290.db2.gz XTICIYAWYYSYSZ-CYBMUJFWSA-N 1 0 388.339 2.559 20 0 GFADRO C[S@](=O)C1(C(=O)N2CC(C)(C)c3cc(Br)ccc32)CC[NH2+]CC1 ZINC000602557628 565854922 /nfs/dbraw/zinc/85/49/22/565854922.db2.gz YPIOPGRTEAVOFC-QHCPKHFHSA-N 1 0 399.354 2.574 20 0 GFADRO CC(=O)N(c1nc(CN2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)cs1)C1CC1 ZINC000629564673 565859192 /nfs/dbraw/zinc/85/91/92/565859192.db2.gz UAXWDTYYBPWJPH-RISCZKNCSA-N 1 0 376.448 2.618 20 0 GFADRO [NH3+]C[C@@H]1CN([C@H]2CCN(c3ccccc3Cl)C2=O)CC[C@H]1C(F)(F)F ZINC000629564412 565859384 /nfs/dbraw/zinc/85/93/84/565859384.db2.gz UGSYVDCHUKORBR-JMSVASOKSA-N 1 0 375.822 2.904 20 0 GFADRO CC(=O)N1CCC[C@H](C[NH2+]Cc2ccc(I)s2)C1 ZINC000602638645 565859465 /nfs/dbraw/zinc/85/94/65/565859465.db2.gz SMVOBZVUBJARMZ-LLVKDONJSA-N 1 0 378.279 2.701 20 0 GFADRO CC(C)CN(CC(F)(F)F)C(=O)CN1CCC[C@@H](C[NH3+])[C@H]1C(F)(F)F ZINC000629583333 565860257 /nfs/dbraw/zinc/86/02/57/565860257.db2.gz ZCVKQKYHDXFYGC-AAEUAGOBSA-N 1 0 377.373 2.635 20 0 GFADRO CC(C)(C)[C@H](O)C[C@H](CO)[NH2+]Cc1ccc(I)s1 ZINC000602653156 565861382 /nfs/dbraw/zinc/86/13/82/565861382.db2.gz MYRNHURVNWPQMN-MWLCHTKSSA-N 1 0 383.295 2.600 20 0 GFADRO COCC1(C[NH2+]Cc2ccc(I)s2)CCOCC1 ZINC000602674443 565862646 /nfs/dbraw/zinc/86/26/46/565862646.db2.gz XRAZSJGQPPELBI-UHFFFAOYSA-N 1 0 381.279 2.886 20 0 GFADRO CS(=O)(=O)CC1(C[NH2+]Cc2ccc(I)s2)CCC1 ZINC000602695987 565864053 /nfs/dbraw/zinc/86/40/53/565864053.db2.gz YPSBMYWAFMODHU-UHFFFAOYSA-N 1 0 399.319 2.657 20 0 GFADRO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+]Cc2cc(C(=O)OC)c(C)[nH]2)c1 ZINC000602693951 565863380 /nfs/dbraw/zinc/86/33/80/565863380.db2.gz HXMCJHUIXCRUGQ-UHFFFAOYSA-N 1 0 384.885 2.847 20 0 GFADRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)[C@H]1CCOc2ccc(Br)cc21 ZINC000651488960 565865974 /nfs/dbraw/zinc/86/59/74/565865974.db2.gz IMCTVEDTQPCOBG-DIOULYMOSA-N 1 0 379.298 2.914 20 0 GFADRO Cc1ncc(CNC(=O)CC[N@@H+](C)[C@H](C)c2ccc([S@@](C)=O)cc2)s1 ZINC000602784940 565867686 /nfs/dbraw/zinc/86/76/86/565867686.db2.gz UHGPKCSUIRYPJX-YMXBGEKHSA-N 1 0 379.551 2.888 20 0 GFADRO COC1CC[NH+](CCNC(=O)N[C@H]2C[C@@H]2c2cccc(Br)c2)CC1 ZINC000674328471 565868584 /nfs/dbraw/zinc/86/85/84/565868584.db2.gz PSGYFEMEEVMBJK-SJORKVTESA-N 1 0 396.329 2.715 20 0 GFADRO C[NH+](C)C[C@H]1CCN(C(=O)C(=O)Nc2cc(Cl)c(Cl)c(Cl)c2)C1 ZINC000651568303 565874034 /nfs/dbraw/zinc/87/40/34/565874034.db2.gz HNEQQCOFZRYIED-SECBINFHSA-N 1 0 378.687 2.995 20 0 GFADRO Cc1cc(Br)c(C[NH2+]C[C@@H]2CCC[C@@]23NC(=O)N(C)C3=O)s1 ZINC000651584017 565876753 /nfs/dbraw/zinc/87/67/53/565876753.db2.gz SPNAAPJQMNBXLU-ZUZCIYMTSA-N 1 0 386.315 2.629 20 0 GFADRO C[C@H](C(=O)NC[C@@H](c1ccsc1)[NH+](C)C)c1ccc(S(C)(=O)=O)cc1 ZINC000674667059 565880200 /nfs/dbraw/zinc/88/02/00/565880200.db2.gz YNJSEPWQBNDAPM-GUYCJALGSA-N 1 0 380.535 2.674 20 0 GFADRO C[C@@H](NC(=O)Cn1cc(CSCC[NH3+])nn1)c1ccc(Cl)cc1Cl ZINC000603179276 565888835 /nfs/dbraw/zinc/88/88/35/565888835.db2.gz RDSNVDMRWHOXRF-SNVBAGLBSA-N 1 0 388.324 2.654 20 0 GFADRO Cc1cc(Br)sc1S(=O)(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000651717453 565889045 /nfs/dbraw/zinc/88/90/45/565889045.db2.gz FYGKGJQNJLYCTF-CQSZACIVSA-N 1 0 393.372 2.925 20 0 GFADRO CC(C)C[N@H+](C)CCCNS(=O)(=O)c1ccc(F)cc1Br ZINC000651769624 565892310 /nfs/dbraw/zinc/89/23/10/565892310.db2.gz OMYLYDNEKPACLN-UHFFFAOYSA-N 1 0 381.311 2.844 20 0 GFADRO CC[C@H](C[NH+]1CCCC1)NC(=O)N1CCC(n2cc(Br)cn2)CC1 ZINC000675195842 565894576 /nfs/dbraw/zinc/89/45/76/565894576.db2.gz AZAXEEAALNAOAA-OAHLLOKOSA-N 1 0 398.349 2.867 20 0 GFADRO Cn1cnc2c1ncnc2N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000675290267 565898112 /nfs/dbraw/zinc/89/81/12/565898112.db2.gz XMEFQEQRCHOFBM-UHFFFAOYSA-N 1 0 389.301 2.694 20 0 GFADRO CC(C)(CO)[NH+]1CCN(Cc2cc(Br)cc3cccnc32)CC1 ZINC000675295923 565898155 /nfs/dbraw/zinc/89/81/55/565898155.db2.gz FJXPWCNIWMZAER-UHFFFAOYSA-N 1 0 378.314 2.886 20 0 GFADRO C[C@@H](NC(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1)c1nncn1C ZINC000630397305 565898347 /nfs/dbraw/zinc/89/83/47/565898347.db2.gz WBLBTLLRIZQOHK-YGRLFVJLSA-N 1 0 385.299 2.785 20 0 GFADRO CSC1(CNS(=O)(=O)CC[C@H]2CCc3ccccc32)CC[NH+](C)CC1 ZINC000603345922 565898906 /nfs/dbraw/zinc/89/89/06/565898906.db2.gz XOPDTOYOINTHPJ-QGZVFWFLSA-N 1 0 382.595 2.853 20 0 GFADRO CSc1ccc(S(=O)(=O)N2C[C@@H](C[NH+](C)C)Oc3ccccc32)cc1 ZINC000675470407 565904845 /nfs/dbraw/zinc/90/48/45/565904845.db2.gz SBEJEBGULLEUQW-CQSZACIVSA-N 1 0 378.519 2.926 20 0 GFADRO CN(CC[NH+]1CCCCC1)S(=O)(=O)c1ccc(F)cc1Br ZINC000651926958 565905241 /nfs/dbraw/zinc/90/52/41/565905241.db2.gz SWSKYNCSGOUYFT-UHFFFAOYSA-N 1 0 379.295 2.695 20 0 GFADRO CCN(CCC[NH+]1CCCC1)C(=O)c1ncc(I)s1 ZINC000603430710 565905833 /nfs/dbraw/zinc/90/58/33/565905833.db2.gz IOANWIJQNZKKRC-UHFFFAOYSA-N 1 0 393.294 2.696 20 0 GFADRO O[C@@H]1CC[N@@H+](C2CN(Cc3ccc(-c4cccc(Br)c4)o3)C2)C1 ZINC000651978465 565908272 /nfs/dbraw/zinc/90/82/72/565908272.db2.gz MLNSXJKOABWXLT-MRXNPFEDSA-N 1 0 377.282 2.960 20 0 GFADRO OCCC1([NH2+]Cc2nc(-c3cccc(Br)c3)c[nH]2)CCOCC1 ZINC000675553363 565909016 /nfs/dbraw/zinc/90/90/16/565909016.db2.gz DSCAWGRKIDFARJ-UHFFFAOYSA-N 1 0 380.286 2.860 20 0 GFADRO Cn1c(=O)ccc2c1CCC[C@H]2[NH2+]Cc1cnc2ccc(Br)cn12 ZINC000652047260 565912939 /nfs/dbraw/zinc/91/29/39/565912939.db2.gz KLQFWEVMJHCQLG-OAHLLOKOSA-N 1 0 387.281 2.963 20 0 GFADRO CCOc1cc(C[NH2+]CC[C@]2(O)CCCOC2)cc(Br)c1OC ZINC000652039768 565913323 /nfs/dbraw/zinc/91/33/23/565913323.db2.gz NPJWCJJDIZBYDA-QGZVFWFLSA-N 1 0 388.302 2.878 20 0 GFADRO COCC[N@@H+]1CCC[C@@H](NC(=O)CCCc2ccccc2Br)C1 ZINC000675786310 565916057 /nfs/dbraw/zinc/91/60/57/565916057.db2.gz OACRWNDPKCHFRE-MRXNPFEDSA-N 1 0 383.330 2.999 20 0 GFADRO CC(C)C[C@@H]([NH2+]CCN1CCN(S(C)(=O)=O)CC1)c1ccc(Cl)cc1 ZINC000675819409 565916132 /nfs/dbraw/zinc/91/61/32/565916132.db2.gz NEOCZHFTNFXCHF-GOSISDBHSA-N 1 0 387.977 2.594 20 0 GFADRO CCO[C@@H]1CN(C(=O)NCc2c(C)cc(Br)cc2C)C[C@H]1C[NH3+] ZINC000652141843 565916560 /nfs/dbraw/zinc/91/65/60/565916560.db2.gz AJFMZAIPVMBETR-CZUORRHYSA-N 1 0 384.318 2.571 20 0 GFADRO O=C(NCc1ccc(Br)s1)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000603817186 565917076 /nfs/dbraw/zinc/91/70/76/565917076.db2.gz XINOVPMRWJIWJV-QGZVFWFLSA-N 1 0 395.322 2.764 20 0 GFADRO C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CCOC[C@@H]1CCOC1 ZINC000675836716 565917412 /nfs/dbraw/zinc/91/74/12/565917412.db2.gz JEVJBUMBNMTNQV-UONOGXRCSA-N 1 0 385.302 2.809 20 0 GFADRO COCC[NH2+]C1CCN(C(=O)N[C@H]2CCc3c2cccc3Br)CC1 ZINC000652145377 565917564 /nfs/dbraw/zinc/91/75/64/565917564.db2.gz MKCFXZXTCDJGIX-KRWDZBQOSA-N 1 0 396.329 2.846 20 0 GFADRO O=C(NCCC1CC[NH2+]CC1)N[C@@H]1CCOc2c(Br)cccc21 ZINC000652188900 565918493 /nfs/dbraw/zinc/91/84/93/565918493.db2.gz XCXDOXNMYSFACR-OAHLLOKOSA-N 1 0 382.302 2.962 20 0 GFADRO O=C(NCCC1CC[NH2+]CC1)N[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000652184207 565918604 /nfs/dbraw/zinc/91/86/04/565918604.db2.gz ZSUPDBICVDHZJY-INIZCTEOSA-N 1 0 395.345 2.717 20 0 GFADRO C[N@@H+]1CCCN(CCCNC(=O)CCc2cccc(Br)c2)CC1 ZINC000603899469 565918529 /nfs/dbraw/zinc/91/85/29/565918529.db2.gz YCJSOZOZRKAKGZ-UHFFFAOYSA-N 1 0 382.346 2.526 20 0 GFADRO C[NH2+]Cc1ccccc1CNC(=O)N[C@@H](C)c1ncc(Br)cn1 ZINC000652195038 565918724 /nfs/dbraw/zinc/91/87/24/565918724.db2.gz HLBJBVUTCZBLBD-NSHDSACASA-N 1 0 378.274 2.519 20 0 GFADRO Cc1cc(Br)sc1S(=O)(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000652371198 565924438 /nfs/dbraw/zinc/92/44/38/565924438.db2.gz MXPWTWLNIDYEBW-RYUDHWBXSA-N 1 0 393.372 2.829 20 0 GFADRO COc1cc(Cl)c(S(=O)(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)cc1Cl ZINC000652376461 565925515 /nfs/dbraw/zinc/92/55/15/565925515.db2.gz NTOWECJSAKYJDA-BONVTDFDSA-N 1 0 379.309 2.752 20 0 GFADRO COc1cc(S(=O)(=O)N2CCC[C@H](C)[C@H]2CC[NH3+])ccc1Br ZINC000652377307 565925533 /nfs/dbraw/zinc/92/55/33/565925533.db2.gz DQMCXBVIKABNTR-SMDDNHRTSA-N 1 0 391.331 2.596 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2S(=O)(=O)C[C@H]2CCCCC2(F)F)C1 ZINC000652383508 565927630 /nfs/dbraw/zinc/92/76/30/565927630.db2.gz XWTJIQJEJQOKTD-FPCVCCKLSA-N 1 0 380.501 2.503 20 0 GFADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)c1oc2ccccc2c1Br ZINC000630948533 565928199 /nfs/dbraw/zinc/92/81/99/565928199.db2.gz HENHBKAJVVPAHD-GFCCVEGCSA-N 1 0 380.286 2.561 20 0 GFADRO NS(=O)(=O)c1cc(C[NH2+]C[C@@H]2CCN(c3ccccc3)C2)ccc1Cl ZINC000631039108 565934832 /nfs/dbraw/zinc/93/48/32/565934832.db2.gz CJANTDSDOALTHU-HNNXBMFYSA-N 1 0 379.913 2.604 20 0 GFADRO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCN(C(=O)Nc3cc(Br)ccn3)C2)C1 ZINC000652599509 565934941 /nfs/dbraw/zinc/93/49/41/565934941.db2.gz FZHNWMPMCHOQEA-MRVWCRGKSA-N 1 0 383.290 2.594 20 0 GFADRO CC[NH+]1CCN(c2ccc(CNCc3ccncc3Br)cn2)CC1 ZINC000631047415 565935514 /nfs/dbraw/zinc/93/55/14/565935514.db2.gz NHAAGNNDMDCXPY-UHFFFAOYSA-N 1 0 390.329 2.671 20 0 GFADRO COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652631005 565935917 /nfs/dbraw/zinc/93/59/17/565935917.db2.gz VQDQUXRFBZFKDI-BTDLBPIBSA-N 1 0 386.279 2.528 20 0 GFADRO Cc1cc(Br)cc(Cl)c1NC(=O)C(=O)NCCC1(C[NH3+])CC1 ZINC000652635205 565936227 /nfs/dbraw/zinc/93/62/27/565936227.db2.gz MPFDHDAIEQGSDX-UHFFFAOYSA-N 1 0 388.693 2.595 20 0 GFADRO Fc1ccc(Br)cc1CC[NH2+]Cc1cn(C[C@H]2CCOC2)nn1 ZINC000631053483 565936712 /nfs/dbraw/zinc/93/67/12/565936712.db2.gz XBEOBHQAFVYMJP-GFCCVEGCSA-N 1 0 383.265 2.549 20 0 GFADRO C[C@@H](Cc1ccccc1Br)[NH2+]Cc1cn(C[C@@H]2CCOC2)nn1 ZINC000631088855 565940322 /nfs/dbraw/zinc/94/03/22/565940322.db2.gz CBTUTXFKQFXRLA-KBPBESRZSA-N 1 0 379.302 2.798 20 0 GFADRO NS(=O)(=O)c1cc(C[NH2+][C@@H](c2ccccc2)[C@@H]2CCOC2)ccc1Cl ZINC000631106366 565942044 /nfs/dbraw/zinc/94/20/44/565942044.db2.gz SBVOKTDRWDSVGR-QAPCUYQASA-N 1 0 380.897 2.855 20 0 GFADRO COc1cc(C[NH2+][C@@H]2CCCN(CCCO)C2)c(F)cc1Br ZINC000631147155 565944103 /nfs/dbraw/zinc/94/41/03/565944103.db2.gz NWHUZVAFGCZNFF-CYBMUJFWSA-N 1 0 375.282 2.533 20 0 GFADRO CN(CCOc1ccc(Br)cc1)C(=O)C[N@@H+]1CCCOC(C)(C)C1 ZINC000604999343 565944138 /nfs/dbraw/zinc/94/41/38/565944138.db2.gz HVYCKCISPJZJRE-UHFFFAOYSA-N 1 0 399.329 2.787 20 0 GFADRO C[C@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)CNC(=O)c1ccc(Cl)cc1Cl ZINC000605024957 565944480 /nfs/dbraw/zinc/94/44/80/565944480.db2.gz GVTNHUNCODUBBK-JSGCOSHPSA-N 1 0 384.307 2.808 20 0 GFADRO COCCc1ncc(C[NH2+]CCCS(=O)(=O)c2ccc(Cl)cc2)s1 ZINC000631146463 565944452 /nfs/dbraw/zinc/94/44/52/565944452.db2.gz WFUHITZBGPGXQU-UHFFFAOYSA-N 1 0 388.942 2.939 20 0 GFADRO COc1ccc(C[C@@](C)(O)C[NH2+]Cc2ccncc2Br)cc1OC ZINC000631141248 565944504 /nfs/dbraw/zinc/94/45/04/565944504.db2.gz SZNYEEBWDFXITM-GOSISDBHSA-N 1 0 395.297 2.945 20 0 GFADRO CC(C)n1ncnc1C[NH2+]C[C@H](CO)Cc1ccc(F)c(Br)c1 ZINC000631154060 565945767 /nfs/dbraw/zinc/94/57/67/565945767.db2.gz PEDUFYFRZSJHHT-CYBMUJFWSA-N 1 0 385.281 2.701 20 0 GFADRO COCCc1ccc(OC[C@@H](O)C[NH2+]Cc2ccncc2Br)cc1 ZINC000631171560 565945772 /nfs/dbraw/zinc/94/57/72/565945772.db2.gz JYYDXESJZUWKHA-INIZCTEOSA-N 1 0 395.297 2.563 20 0 GFADRO C[NH+](C)CC1CCC(NC(=O)CS(=O)(=O)Cc2ccc(Cl)s2)CC1 ZINC000676729953 565946178 /nfs/dbraw/zinc/94/61/78/565946178.db2.gz XXIIOEVSIOPNKS-UHFFFAOYSA-N 1 0 392.974 2.553 20 0 GFADRO O=S1(=O)CCCN1CCC[NH2+]Cc1ccc(Br)c2cccnc12 ZINC000631188418 565947104 /nfs/dbraw/zinc/94/71/04/565947104.db2.gz PFJOHKUBYPLTAN-UHFFFAOYSA-N 1 0 398.326 2.513 20 0 GFADRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)Nc1cc(Cl)c(OC)c(Cl)c1 ZINC000605249413 565949303 /nfs/dbraw/zinc/94/93/03/565949303.db2.gz ZIOVIQKEEGELNW-GFCCVEGCSA-N 1 0 388.295 2.931 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+][C@@H]1C[C@H](C)O[C@@H]1C ZINC000631223285 565949849 /nfs/dbraw/zinc/94/98/49/565949849.db2.gz SRCSYIGMDYOQMZ-OZTPJHRESA-N 1 0 385.302 2.618 20 0 GFADRO CC(C)CN(C(=O)COc1ccc(Br)cn1)C1CC[NH+](C)CC1 ZINC000631286086 565952581 /nfs/dbraw/zinc/95/25/81/565952581.db2.gz SOBWQSBUYCTHTN-UHFFFAOYSA-N 1 0 384.318 2.802 20 0 GFADRO O=C(NC1(c2ccc(Br)cc2)CCOCC1)[C@@H]1CCC[NH2+]CC1 ZINC000653076297 565953040 /nfs/dbraw/zinc/95/30/40/565953040.db2.gz QMEPDNKYGZFLQE-CQSZACIVSA-N 1 0 381.314 2.961 20 0 GFADRO CO[C@@H]1CCN(C(=O)Cn2c(C)c(Br)c3ccccc32)[C@H](C[NH3+])C1 ZINC000653129021 565955186 /nfs/dbraw/zinc/95/51/86/565955186.db2.gz JVYVXBVNFHOPGZ-UONOGXRCSA-N 1 0 394.313 2.677 20 0 GFADRO O=C(N[C@@H]1CCN(c2ccccc2Br)C1)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653119612 565955523 /nfs/dbraw/zinc/95/55/23/565955523.db2.gz PPJDVKJMUBWNFJ-BMFZPTHFSA-N 1 0 378.314 2.675 20 0 GFADRO O=C(NCc1noc(-c2cccc(Br)c2)n1)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653160606 565956525 /nfs/dbraw/zinc/95/65/25/565956525.db2.gz OSMVWEXNDLQWER-KGLIPLIRSA-N 1 0 391.269 2.646 20 0 GFADRO CCN(Cc1cccc(Br)c1)C(=O)N[C@@H]1CC[N@H+](CCOC)C1 ZINC000605883299 565958071 /nfs/dbraw/zinc/95/80/71/565958071.db2.gz LOIJJUGDYOLZEJ-MRXNPFEDSA-N 1 0 384.318 2.701 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(C(=O)c3cc(F)ccc3Br)C2)C1 ZINC000653190450 565958580 /nfs/dbraw/zinc/95/85/80/565958580.db2.gz KCESXPVTWKKPME-KFNAQCHYSA-N 1 0 385.277 2.947 20 0 GFADRO COC1CC[NH+](CCNC(=O)c2ccc(Cl)c(Br)c2)CC1 ZINC000677056088 565959239 /nfs/dbraw/zinc/95/92/39/565959239.db2.gz JDMUAKWNALJKHA-UHFFFAOYSA-N 1 0 375.694 2.943 20 0 GFADRO O=C(N=c1cc(-c2ccc(Br)s2)[nH][nH]1)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653346208 565964834 /nfs/dbraw/zinc/96/48/34/565964834.db2.gz MOECMBSOQHKJJS-UWVGGRQHSA-N 1 0 381.299 2.792 20 0 GFADRO O=C(N=c1cc(-c2ccc(Br)s2)[nH][nH]1)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653346209 565965105 /nfs/dbraw/zinc/96/51/05/565965105.db2.gz MOECMBSOQHKJJS-VHSXEESVSA-N 1 0 381.299 2.792 20 0 GFADRO O=S(=O)(NCC1CC[NH+](Cc2cccs2)CC1)c1cncc(Cl)c1 ZINC000677239829 565965371 /nfs/dbraw/zinc/96/53/71/565965371.db2.gz ZRDWMUBFOGBMLK-UHFFFAOYSA-N 1 0 385.942 2.987 20 0 GFADRO CCC(CC)[C@H](CNC(=O)NCc1n[nH]cc1Br)[NH+]1CCCC1 ZINC000606633698 565968322 /nfs/dbraw/zinc/96/83/22/565968322.db2.gz OMRVQDQPRTYVQX-HNNXBMFYSA-N 1 0 386.338 2.872 20 0 GFADRO O=C(NCc1n[nH]cc1Br)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000606623561 565968478 /nfs/dbraw/zinc/96/84/78/565968478.db2.gz UBQPLAZCUZXJAN-CYBMUJFWSA-N 1 0 398.330 2.870 20 0 GFADRO COc1ccc(Br)c(CNC(=O)N[C@@H](C)C2CC[NH+](C)CC2)c1 ZINC000606647165 565968673 /nfs/dbraw/zinc/96/86/73/565968673.db2.gz MVIZNMZZDNSKMR-LBPRGKRZSA-N 1 0 384.318 2.987 20 0 GFADRO C[C@H](NC(=O)NCC(=O)Nc1cc(Cl)ccc1Cl)C1CC[NH+](C)CC1 ZINC000606620316 565968683 /nfs/dbraw/zinc/96/86/83/565968683.db2.gz SAPQGUVLDNYNBG-NSHDSACASA-N 1 0 387.311 2.961 20 0 GFADRO C[NH+](C)CCN(Cc1ccccc1F)C(=O)NCc1n[nH]cc1Br ZINC000606695243 565970048 /nfs/dbraw/zinc/97/00/48/565970048.db2.gz KXRBFWDFNUPLIH-UHFFFAOYSA-N 1 0 398.280 2.585 20 0 GFADRO CCN([C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1)S(=O)(=O)c1c[nH]c(=O)s1 ZINC000631783082 565974477 /nfs/dbraw/zinc/97/44/77/565974477.db2.gz IEHSOKWFCRFDAW-UKRRQHHQSA-N 1 0 381.523 2.695 20 0 GFADRO CN(CCCC[NH+](C)C)C(=O)[C@@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000607036732 565976097 /nfs/dbraw/zinc/97/60/97/565976097.db2.gz PZLSZXMIHFXDBL-CQSZACIVSA-N 1 0 396.329 2.602 20 0 GFADRO C[NH+](C)CCN(Cc1ccc(F)c(F)c1)S(=O)(=O)C[C@@H]1CCC1(F)F ZINC000631813145 565977151 /nfs/dbraw/zinc/97/71/51/565977151.db2.gz KUZFUNLPPSZZSY-ZDUSSCGKSA-N 1 0 382.423 2.704 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(Cl)c(NS(C)(=O)=O)c2)C[C@H]1C ZINC000607119309 565978421 /nfs/dbraw/zinc/97/84/21/565978421.db2.gz ABDJZRURNKRJIS-OCCSQVGLSA-N 1 0 387.933 2.656 20 0 GFADRO Brc1cccc(Cc2noc(CN3CCC[C@@H]4C[NH2+]CC[C@@H]43)n2)c1 ZINC000631885881 565980056 /nfs/dbraw/zinc/98/00/56/565980056.db2.gz CEWLBAMDQRXCCM-ZBFHGGJFSA-N 1 0 391.313 2.997 20 0 GFADRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3ccc4cncc(Br)c4n3)CC[C@H]21 ZINC000631882078 565980214 /nfs/dbraw/zinc/98/02/14/565980214.db2.gz QEUFDQZEFYBHBA-XJKSGUPXSA-N 1 0 389.297 2.949 20 0 GFADRO [NH3+]C[C@H]1Cc2ccccc2N(Cc2nnnn2-c2ccccc2Br)C1 ZINC000631892934 565981217 /nfs/dbraw/zinc/98/12/17/565981217.db2.gz BBFOVVYXPLDHQO-CYBMUJFWSA-N 1 0 399.296 2.562 20 0 GFADRO CCC[N@@H+]1CC[C@@H](CNC(=O)Nc2ccc(NS(C)(=O)=O)c(Cl)c2)C1 ZINC000607215899 565981305 /nfs/dbraw/zinc/98/13/05/565981305.db2.gz ZIGOQGQWCXNWKR-LBPRGKRZSA-N 1 0 388.921 2.565 20 0 GFADRO COc1cc(Br)c(CNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)cc1OC ZINC000607280866 565982943 /nfs/dbraw/zinc/98/29/43/565982943.db2.gz XDLDPTFEDLEBKE-TXEJJXNPSA-N 1 0 385.302 2.955 20 0 GFADRO C[C@H]1C[C@@H]([NH3+])CCN1S(=O)(=O)c1cnc2c(Br)csc2c1 ZINC000631949235 565985813 /nfs/dbraw/zinc/98/58/13/565985813.db2.gz YDUSECYYLHOYMA-IUCAKERBSA-N 1 0 390.328 2.559 20 0 GFADRO CO[C@H](C(=O)Nc1ccnn1CC[NH+](C)C)c1ccccc1Br ZINC000653852043 565985945 /nfs/dbraw/zinc/98/59/45/565985945.db2.gz KOMYTHASBNZYAG-HNNXBMFYSA-N 1 0 381.274 2.533 20 0 GFADRO COCCC[N@H+](C)CCNC(=O)c1cc(-c2ccc(Br)cc2)n[nH]1 ZINC000607701976 565987267 /nfs/dbraw/zinc/98/72/67/565987267.db2.gz OBZNAZNRRVLZDI-UHFFFAOYSA-N 1 0 395.301 2.537 20 0 GFADRO COc1ccc(Br)cc1S(=O)(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000631978772 565987465 /nfs/dbraw/zinc/98/74/65/565987465.db2.gz IHCOVYHFLBIAPH-GFCCVEGCSA-N 1 0 391.331 2.514 20 0 GFADRO C[C@H]1C[C@@H]([NH3+])CN1S(=O)(=O)c1cc(C(F)(F)F)ccc1Br ZINC000631972596 565987919 /nfs/dbraw/zinc/98/79/19/565987919.db2.gz HILPRUFJIWOOKI-IONNQARKSA-N 1 0 387.221 2.578 20 0 GFADRO C[C@H](NS(=O)(=O)CCCN1CC[NH+](C)CC1)c1cccc(Cl)c1Cl ZINC000631987546 565988898 /nfs/dbraw/zinc/98/88/98/565988898.db2.gz IJMQAJAROBVYKT-ZDUSSCGKSA-N 1 0 394.368 2.611 20 0 GFADRO C[C@@H](NS(=O)(=O)CCCN1CC[NH+](C)CC1)c1cccc(Cl)c1Cl ZINC000631987545 565988914 /nfs/dbraw/zinc/98/89/14/565988914.db2.gz IJMQAJAROBVYKT-CYBMUJFWSA-N 1 0 394.368 2.611 20 0 GFADRO O=C(Nc1cc(Br)c(F)cc1Cl)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000654018729 565991265 /nfs/dbraw/zinc/99/12/65/565991265.db2.gz LTVYEQSDUFRQBY-DTWKUNHWSA-N 1 0 392.656 2.524 20 0 GFADRO COc1cc(OC)c(NC(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)cc1Br ZINC000654043161 565992485 /nfs/dbraw/zinc/99/24/85/565992485.db2.gz WVJAECLFXBOARD-PHIMTYICSA-N 1 0 386.290 2.928 20 0 GFADRO CC[NH+](CC)C[C@@H]1CCN(S(=O)(=O)c2cscc2Br)C1 ZINC000632046894 565994993 /nfs/dbraw/zinc/99/49/93/565994993.db2.gz XHJJJAPBFAXABP-NSHDSACASA-N 1 0 381.361 2.863 20 0 GFADRO C[C@H](C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1)c1ccc(Br)cc1 ZINC000678048640 565995860 /nfs/dbraw/zinc/99/58/60/565995860.db2.gz XYLAJROVOKNCSC-GUYCJALGSA-N 1 0 381.314 2.922 20 0 GFADRO C[NH+](C)C1(CNS(=O)(=O)c2ccc(F)c(Cl)c2)Cc2ccccc2C1 ZINC000608027981 565998598 /nfs/dbraw/zinc/99/85/98/565998598.db2.gz XQPRQZPEQSKVHC-UHFFFAOYSA-N 1 0 382.888 2.857 20 0 GFADRO COc1cc(C[NH2+]C(C)(C)CCS(C)(=O)=O)ccc1OCC(F)(F)F ZINC000608068099 566000772 /nfs/dbraw/zinc/00/07/72/566000772.db2.gz JDARPBJEIBRRCQ-UHFFFAOYSA-N 1 0 383.432 2.939 20 0 GFADRO Brc1ccc(N2CC[NH+](Cc3ccccc3-n3cncn3)CC2)nc1 ZINC000678137769 566001133 /nfs/dbraw/zinc/00/11/33/566001133.db2.gz SEXYNRSRHKSIIK-UHFFFAOYSA-N 1 0 399.296 2.747 20 0 GFADRO CCOc1c(Br)cc(C[NH2+][C@@H]2CC(=O)N([C@H]3C[C@@H]3C)C2)cc1OC ZINC000608073181 566002218 /nfs/dbraw/zinc/00/22/18/566002218.db2.gz YNLLMUDLRYZYBT-LNSITVRQSA-N 1 0 397.313 2.955 20 0 GFADRO C[C@@H]1C[C@H]1N1C[C@H]([NH2+]Cc2cnn(-c3ccc(Br)cc3)c2)CC1=O ZINC000608071353 566002271 /nfs/dbraw/zinc/00/22/71/566002271.db2.gz BVMSYBCTFHMPFN-SRCQZFHVSA-N 1 0 389.297 2.734 20 0 GFADRO Cc1c(Br)cccc1C[C@@H](CO)CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC000654252187 566002642 /nfs/dbraw/zinc/00/26/42/566002642.db2.gz KGKOROFBODWNDI-PBHICJAKSA-N 1 0 383.330 2.509 20 0 GFADRO C[C@@H]1C[C@H]([NH2+]Cc2ccc(F)c(Br)c2)C(=O)N1c1cnn(C)c1 ZINC000608077115 566003181 /nfs/dbraw/zinc/00/31/81/566003181.db2.gz VAQDQRUJEWYHMH-BMIGLBTASA-N 1 0 381.249 2.605 20 0 GFADRO C[N@@H+]1CCC[C@@H](NC(=O)[C@@H](c2ccc(Cl)cc2Cl)N2CCOCC2)C1 ZINC000608127271 566004568 /nfs/dbraw/zinc/00/45/68/566004568.db2.gz WYXLKXKNGJNPML-RHSMWYFYSA-N 1 0 386.323 2.577 20 0 GFADRO C[NH+](C)CCCC1CCN(S(=O)(=O)c2onc(C3CC3)c2Cl)CC1 ZINC000632164388 566005734 /nfs/dbraw/zinc/00/57/34/566005734.db2.gz LLNMJUFAGSDWJG-UHFFFAOYSA-N 1 0 375.922 2.948 20 0 GFADRO CC(C)c1nn(-c2ccc(Br)cc2)cc1C[N@H+]1C[C@H](O)C[C@H](O)C1 ZINC000678298915 566006372 /nfs/dbraw/zinc/00/63/72/566006372.db2.gz WHIYRUZVULMZOI-CALCHBBNSA-N 1 0 394.313 2.686 20 0 GFADRO COCC[N@@H+]1CC[C@H](NC(=O)Nc2c(F)cc(Br)cc2F)C1 ZINC000608331355 566011286 /nfs/dbraw/zinc/01/12/86/566011286.db2.gz UFVOKZNHICEKAQ-JTQLQIEISA-N 1 0 378.217 2.570 20 0 GFADRO O=C(Nc1ccc(F)c(Br)c1)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000608336063 566011380 /nfs/dbraw/zinc/01/13/80/566011380.db2.gz LLIAXKRWZQUNIV-LSDHHAIUSA-N 1 0 386.265 2.651 20 0 GFADRO C[NH+](C)Cc1c2ccccc2oc1C(=O)NCc1n[nH]cc1Br ZINC000608361116 566012467 /nfs/dbraw/zinc/01/24/67/566012467.db2.gz JNHBMBZVDJHOLR-UHFFFAOYSA-N 1 0 377.242 2.910 20 0 GFADRO COCC[N@H+](C)CCCNC(=O)c1ccc(Br)cc1SC ZINC000654497077 566012692 /nfs/dbraw/zinc/01/26/92/566012692.db2.gz DJMNSBLTDNFUEX-UHFFFAOYSA-N 1 0 375.332 2.869 20 0 GFADRO O=C(NCCCCn1cc(Br)cn1)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000654550063 566015074 /nfs/dbraw/zinc/01/50/74/566015074.db2.gz GCOYOMHAAYCQMO-JKSUJKDBSA-N 1 0 398.349 2.742 20 0 GFADRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)N2CCc3c(F)ccc(Br)c3C2)C1 ZINC000654663486 566018600 /nfs/dbraw/zinc/01/86/00/566018600.db2.gz QIZNFMVEMHQFFE-TXEJJXNPSA-N 1 0 384.293 2.996 20 0 GFADRO C[NH+]1CCC(Oc2ccc(CNS(=O)(=O)CCC(C)(F)F)cc2)CC1 ZINC000632316804 566021268 /nfs/dbraw/zinc/02/12/68/566021268.db2.gz GQVSUZNULWBFQC-UHFFFAOYSA-N 1 0 376.469 2.624 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000654947762 566031019 /nfs/dbraw/zinc/03/10/19/566031019.db2.gz VXCYKAARDKSHBN-CVEARBPZSA-N 1 0 394.313 2.829 20 0 GFADRO Cc1ccc(NC(=O)C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)c(Br)c1 ZINC000654945740 566031708 /nfs/dbraw/zinc/03/17/08/566031708.db2.gz GCSHDTNKHFOMOK-HOTGVXAUSA-N 1 0 394.313 2.829 20 0 GFADRO Cc1cc(NC(=O)C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)ccc1Br ZINC000654946601 566031750 /nfs/dbraw/zinc/03/17/50/566031750.db2.gz MTRGNTCGWLITLZ-JKSUJKDBSA-N 1 0 394.313 2.829 20 0 GFADRO O=C(Nc1ccc(Br)cc1)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000654947390 566031804 /nfs/dbraw/zinc/03/18/04/566031804.db2.gz TYTKPYGRSAFHIR-CABCVRRESA-N 1 0 380.286 2.521 20 0 GFADRO CC(C)[N@@H+]1CCCN(C(=O)c2ccc(I)c(F)c2)CC1 ZINC000609172890 566032319 /nfs/dbraw/zinc/03/23/19/566032319.db2.gz JJZLIDRQFCUACI-UHFFFAOYSA-N 1 0 390.240 2.987 20 0 GFADRO CCn1ncc(C(=O)NCCc2cn3cc(Br)cc(C)c3n2)c1C ZINC000632440226 566033117 /nfs/dbraw/zinc/03/31/17/566033117.db2.gz WDPOMPKDJKDZBD-UHFFFAOYSA-N 1 0 390.285 2.903 20 0 GFADRO Cc1cc(S(=O)(=O)N2CCC([N@@H+]3CCCOCC3)CC2)c(Cl)cc1F ZINC000632452243 566033878 /nfs/dbraw/zinc/03/38/78/566033878.db2.gz QELZSRZXPVONEU-UHFFFAOYSA-N 1 0 390.908 2.663 20 0 GFADRO O=C(NCCNc1cccc(Br)c1)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000679381194 566039310 /nfs/dbraw/zinc/03/93/10/566039310.db2.gz VMHSTDPIKPWTRV-MRXNPFEDSA-N 1 0 381.318 2.645 20 0 GFADRO CSc1cc(Br)ccc1C(=O)NC[C@H]1CCCC[N@@H+]1CCO ZINC000655121899 566041208 /nfs/dbraw/zinc/04/12/08/566041208.db2.gz VOTAFNYWXXIYHX-CYBMUJFWSA-N 1 0 387.343 2.748 20 0 GFADRO C[C@H](CCN1CC[NH+](C)CC1)NC(=O)c1oc2ccccc2c1Br ZINC000632529037 566041772 /nfs/dbraw/zinc/04/17/72/566041772.db2.gz UJMIIAHTQATEGH-CYBMUJFWSA-N 1 0 394.313 2.951 20 0 GFADRO C[C@@H]1CC[N@H+](CC(=O)NCc2c(F)c(F)c(Br)c(F)c2F)C1 ZINC000655154839 566042122 /nfs/dbraw/zinc/04/21/22/566042122.db2.gz BLAMTZULPRPRPU-SSDOTTSWSA-N 1 0 383.183 2.964 20 0 GFADRO COC(=O)[C@H]1CC12CC[NH+](Cc1cn3cc(Br)ccc3n1)CC2 ZINC000609614210 566047928 /nfs/dbraw/zinc/04/79/28/566047928.db2.gz DJBZOJVFERVBJZ-CQSZACIVSA-N 1 0 378.270 2.872 20 0 GFADRO CSC[C@H](C)NC(=O)NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000609904501 566058447 /nfs/dbraw/zinc/05/84/47/566058447.db2.gz YNNRDAZOANMJMB-HNNXBMFYSA-N 1 0 384.977 2.903 20 0 GFADRO [NH3+]C[C@H](NC(=O)[C@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1)C(F)(F)F ZINC000655508395 566061411 /nfs/dbraw/zinc/06/14/11/566061411.db2.gz DBUTUMABSKVCPD-NEPJUHHUSA-N 1 0 398.212 2.604 20 0 GFADRO O=C(C[C@H]1COCC[NH2+]1)N1CCN(c2cc(Cl)c(Cl)c(Cl)c2)CC1 ZINC000655525119 566063570 /nfs/dbraw/zinc/06/35/70/566063570.db2.gz LAJKMPQQPGHAMO-NSHDSACASA-N 1 0 392.714 2.674 20 0 GFADRO CS[C@H](CO)[C@H](C)NC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000610099789 566067276 /nfs/dbraw/zinc/06/72/76/566067276.db2.gz OBVCZTHVVKFBSW-RRQGHBQHSA-N 1 0 385.961 2.889 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2ccc(C(=O)OC)cc2Cl)C[C@H]1C ZINC000610135181 566068355 /nfs/dbraw/zinc/06/83/55/566068355.db2.gz MCDRERHAROBNHQ-OCCSQVGLSA-N 1 0 388.917 2.620 20 0 GFADRO C[NH+](C)[C@H]1C[C@@H](CNS(=O)(=O)c2cccc(Br)c2Cl)C1 ZINC000655632703 566074606 /nfs/dbraw/zinc/07/46/06/566074606.db2.gz PXEJDHJNRIZSRE-AOOOYVTPSA-N 1 0 381.723 2.721 20 0 GFADRO C[NH+](C)[C@H]1C[C@@H](CNS(=O)(=O)c2ccc(Br)c(Cl)c2)C1 ZINC000655632933 566075297 /nfs/dbraw/zinc/07/52/97/566075297.db2.gz TZVFMCXTIWSFJT-AOOOYVTPSA-N 1 0 381.723 2.721 20 0 GFADRO O=C(Nc1cccc2cc(Br)cnc21)N1CCC([NH2+]CCO)CC1 ZINC000632944292 566076627 /nfs/dbraw/zinc/07/66/27/566076627.db2.gz IAYQOCZJTQXRPU-UHFFFAOYSA-N 1 0 393.285 2.576 20 0 GFADRO COC(=O)c1cc(NC(=O)N[C@@H]2CCC[N@H+](C)C2)c(Br)cc1F ZINC000610328644 566077917 /nfs/dbraw/zinc/07/79/17/566077917.db2.gz NBPGFNRBYZUOMU-SECBINFHSA-N 1 0 388.237 2.591 20 0 GFADRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1cc(Br)c2nccn2c1 ZINC000633032896 566080517 /nfs/dbraw/zinc/08/05/17/566080517.db2.gz NTOXTJVWKZRLRE-GXTWGEPZSA-N 1 0 377.286 2.796 20 0 GFADRO COc1cc(OC)c(S(=O)(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1Cl ZINC000655668913 566080688 /nfs/dbraw/zinc/08/06/88/566080688.db2.gz VJBDWEMWXNQNSA-ZIAGYGMSSA-N 1 0 388.917 2.652 20 0 GFADRO O=S(=O)(N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccc(F)cc1Br ZINC000655669280 566081260 /nfs/dbraw/zinc/08/12/60/566081260.db2.gz OEAILTPDXLSMJH-ZIAGYGMSSA-N 1 0 391.306 2.883 20 0 GFADRO O=S(=O)(N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1cc(F)ccc1OC(F)F ZINC000655669400 566081813 /nfs/dbraw/zinc/08/18/13/566081813.db2.gz ZOUSFUVVMXEFFE-CHWSQXEVSA-N 1 0 378.416 2.722 20 0 GFADRO O=C(c1cccc2c(Br)cccc12)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000633069035 566082847 /nfs/dbraw/zinc/08/28/47/566082847.db2.gz FECXXKOZSSMWHX-KBPBESRZSA-N 1 0 389.293 2.883 20 0 GFADRO CN(CCC[NH2+]Cc1oc2ccccc2c1Br)S(C)(=O)=O ZINC000655713112 566084645 /nfs/dbraw/zinc/08/46/45/566084645.db2.gz VQPHHSQCIQGALX-UHFFFAOYSA-N 1 0 375.288 2.566 20 0 GFADRO Cc1cc(C)c(Br)c(C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)c1 ZINC000680867845 566086086 /nfs/dbraw/zinc/08/60/86/566086086.db2.gz VGBHXQSWSJLHQN-MRXNPFEDSA-N 1 0 394.357 2.918 20 0 GFADRO Cc1cc(N2CC[C@H]([NH2+]CCCc3cnn(C)c3)C2=O)ccc1Br ZINC000680881812 566086662 /nfs/dbraw/zinc/08/66/62/566086662.db2.gz IOGPMPNNOFHUIL-KRWDZBQOSA-N 1 0 391.313 2.819 20 0 GFADRO Cc1nn(-c2ccccc2Br)cc1C[NH2+]CCCn1ccnn1 ZINC000655760620 566087291 /nfs/dbraw/zinc/08/72/91/566087291.db2.gz VNQQNIBMPXXOQI-UHFFFAOYSA-N 1 0 375.274 2.715 20 0 GFADRO C[N@@H+]1CCC[C@]2(CCN(C(=O)c3ccc4cncc(Br)c4n3)C2)C1 ZINC000633206408 566089392 /nfs/dbraw/zinc/08/93/92/566089392.db2.gz ORFXNSJNEJRNIP-SFHVURJKSA-N 1 0 389.297 2.950 20 0 GFADRO C[C@H](c1ccccc1)[C@H](CO)[NH2+][C@@H](C(N)=O)c1cccc(Br)c1 ZINC000680991419 566090757 /nfs/dbraw/zinc/09/07/57/566090757.db2.gz HSTYNTXSYHDTES-OAUYIBNBSA-N 1 0 377.282 2.730 20 0 GFADRO C[C@H]1Cc2ccc(Br)cc2CN1C(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000655919428 566094736 /nfs/dbraw/zinc/09/47/36/566094736.db2.gz BGKCODXCUNABNA-QPUJVOFHSA-N 1 0 380.208 2.795 20 0 GFADRO [NH3+]C[C@@H](NC(=O)NCC1(c2ccccc2Br)CC1)C(F)(F)F ZINC000655920138 566094864 /nfs/dbraw/zinc/09/48/64/566094864.db2.gz SJLZBVJWZMSAQI-LLVKDONJSA-N 1 0 380.208 2.670 20 0 GFADRO C[C@H](c1ccc(Cl)cc1)N1CCN(C(=O)N[C@@H](C[NH3+])C(F)(F)F)CC1 ZINC000655917949 566095700 /nfs/dbraw/zinc/09/57/00/566095700.db2.gz BURRDNAPMSSIRZ-RISCZKNCSA-N 1 0 378.826 2.618 20 0 GFADRO CC[C@H](Cc1ccccc1Br)NC(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000655922341 566096435 /nfs/dbraw/zinc/09/64/35/566096435.db2.gz UFAKPIWNBWKLRC-ZYHUDNBSSA-N 1 0 382.224 2.959 20 0 GFADRO Cc1nc(CNC(=O)N[C@H](C[NH3+])C(F)(F)F)oc1-c1ccc(Cl)cc1 ZINC000655923452 566096893 /nfs/dbraw/zinc/09/68/93/566096893.db2.gz YOBGEUALWNLVKH-LLVKDONJSA-N 1 0 376.766 2.992 20 0 GFADRO CC[C@H](C)[NH+]1CCN(C(=O)c2ccc3cncc(Br)c3n2)CC1 ZINC000633341752 566098374 /nfs/dbraw/zinc/09/83/74/566098374.db2.gz OKOSDTNXUOSXQG-LBPRGKRZSA-N 1 0 377.286 2.949 20 0 GFADRO COC(=O)[C@H](c1cc(Cl)cc(Cl)c1)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000610787693 566099009 /nfs/dbraw/zinc/09/90/09/566099009.db2.gz BYWSBSVOOMEVFK-BBWFWOEESA-N 1 0 387.307 2.739 20 0 GFADRO COC(=O)[C@H](c1cc(Cl)cc(Cl)c1)N1CC[NH+](C(C)(C)CO)CC1 ZINC000610787386 566099376 /nfs/dbraw/zinc/09/93/76/566099376.db2.gz XRHYIOHJRTXAMW-HNNXBMFYSA-N 1 0 375.296 2.596 20 0 GFADRO C[C@@H]([NH2+]CCOC[C@@H]1CCOC1)c1ccc(I)cc1 ZINC000610815052 566101641 /nfs/dbraw/zinc/10/16/41/566101641.db2.gz IBSDIEBVMGBICE-CHWSQXEVSA-N 1 0 375.250 2.995 20 0 GFADRO C[N@@H+]1CCC[C@H](CCNC(=O)c2ccc3cncc(Br)c3n2)C1 ZINC000633419611 566102063 /nfs/dbraw/zinc/10/20/63/566102063.db2.gz VHJMMZFWBKJLFF-GFCCVEGCSA-N 1 0 377.286 2.854 20 0 GFADRO Cc1conc1C(=O)Nc1cc(Br)ccc1N(C)CC[NH+](C)C ZINC000633492146 566106907 /nfs/dbraw/zinc/10/69/07/566106907.db2.gz HYTOISLMUBXSRC-UHFFFAOYSA-N 1 0 381.274 2.996 20 0 GFADRO Cc1nn(-c2ccccc2Br)cc1C[N@@H+](CCO)[C@@H]1CCO[C@@H]1C ZINC000656262923 566121263 /nfs/dbraw/zinc/12/12/63/566121263.db2.gz VKEMQYHXBWDODU-RHSMWYFYSA-N 1 0 394.313 2.915 20 0 GFADRO O=C(NCCC[NH+]1CCCCC1)c1cnc2ncc(Br)cc2c1 ZINC000681949292 566133913 /nfs/dbraw/zinc/13/39/13/566133913.db2.gz IOKFTQUCQKUZRY-UHFFFAOYSA-N 1 0 377.286 2.998 20 0 GFADRO C[C@@H]1CCC[N@H+](CCNC(=O)c2cnc3ncc(Br)cc3c2)C1 ZINC000681960239 566135388 /nfs/dbraw/zinc/13/53/88/566135388.db2.gz DBYJJIDWYBTLSE-GFCCVEGCSA-N 1 0 377.286 2.854 20 0 GFADRO Cc1cc(CCC(=O)N2CC[N@H+](CCO)C(C)(C)C2)ccc1Br ZINC000682007793 566138354 /nfs/dbraw/zinc/13/83/54/566138354.db2.gz MLXHGJIMRKEHAW-UHFFFAOYSA-N 1 0 383.330 2.605 20 0 GFADRO CCOC(=O)COc1c(Br)cc(C)cc1C[NH2+]C[C@H]1CCOC1 ZINC000611622505 566139706 /nfs/dbraw/zinc/13/97/06/566139706.db2.gz WZBBCIKHEXETMU-CYBMUJFWSA-N 1 0 386.286 2.826 20 0 GFADRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C[C@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000682030821 566140899 /nfs/dbraw/zinc/14/08/99/566140899.db2.gz CESVGVGAUIGUIJ-KBPBESRZSA-N 1 0 391.339 2.510 20 0 GFADRO CC[NH2+]CCCNC(=O)N1CCc2[nH]c3ccc(Br)cc3c2C1 ZINC000634104656 566143631 /nfs/dbraw/zinc/14/36/31/566143631.db2.gz IFYVNUNZDQJTMF-UHFFFAOYSA-N 1 0 379.302 2.998 20 0 GFADRO C[C@@H]([NH2+]CCCN1CCCS1(=O)=O)c1ccc(Br)cc1F ZINC000682133197 566144987 /nfs/dbraw/zinc/14/49/87/566144987.db2.gz BWCTYSKZWYEOEB-LLVKDONJSA-N 1 0 379.295 2.664 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)N[C@H](C)C1CC[NH+](C)CC1 ZINC000682195695 566146839 /nfs/dbraw/zinc/14/68/39/566146839.db2.gz LQAPAYIUAKPNKB-CYBMUJFWSA-N 1 0 396.329 2.851 20 0 GFADRO CC[N@H+](C[C@@H](O)COc1cc(F)cc(Br)c1)C[C@H]1CCOC1 ZINC000682218889 566148437 /nfs/dbraw/zinc/14/84/37/566148437.db2.gz POESKLXAGOLNDF-IUODEOHRSA-N 1 0 376.266 2.686 20 0 GFADRO C[NH+]1CCN(c2ccnc(NC(=O)c3ccsc3Br)c2)CC1 ZINC000634192996 566149087 /nfs/dbraw/zinc/14/90/87/566149087.db2.gz BMIVXNXBVMNURX-UHFFFAOYSA-N 1 0 381.299 2.910 20 0 GFADRO CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)Nc1ccc(F)cc1Br ZINC000682272644 566149097 /nfs/dbraw/zinc/14/90/97/566149097.db2.gz NHMZXRIDLWKTMV-GFCCVEGCSA-N 1 0 386.265 2.517 20 0 GFADRO COc1c(Cl)cc(NC(=O)C(=O)N(C)CCCC[NH+](C)C)cc1Cl ZINC000682278037 566149198 /nfs/dbraw/zinc/14/91/98/566149198.db2.gz GKDCKIFTDDCZLC-UHFFFAOYSA-N 1 0 376.284 2.741 20 0 GFADRO CN(CCCC[NH+](C)C)C(=O)Nc1ccc(S(C)(=O)=O)c(C(F)F)c1 ZINC000682417702 566152931 /nfs/dbraw/zinc/15/29/31/566152931.db2.gz CYCYNBMQWXOIAI-UHFFFAOYSA-N 1 0 377.457 2.833 20 0 GFADRO COC[C@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1Br)C1CCOCC1 ZINC000656678917 566154717 /nfs/dbraw/zinc/15/47/17/566154717.db2.gz NAFOWYNOKPMRQO-LRDDRELGSA-N 1 0 385.302 2.807 20 0 GFADRO COC[C@H]([NH2+][C@H](C)C(=O)Nc1cccc(Br)c1)C1CCOCC1 ZINC000656678754 566154812 /nfs/dbraw/zinc/15/48/12/566154812.db2.gz MXAUFLXHEPSFJJ-WBMJQRKESA-N 1 0 385.302 2.807 20 0 GFADRO O[C@H](C[NH2+]Cc1cnc(C(F)(F)F)nc1)COCc1ccc(Cl)cc1 ZINC000656705324 566155564 /nfs/dbraw/zinc/15/55/64/566155564.db2.gz OTBKDAFVPSUVAD-CQSZACIVSA-N 1 0 375.778 2.816 20 0 GFADRO O=S1(=O)CC(CC[NH2+]Cc2ccc(Br)c(Br)c2)C1 ZINC000682474653 566155825 /nfs/dbraw/zinc/15/58/25/566155825.db2.gz NODFTVUZDUJOFD-UHFFFAOYSA-N 1 0 397.132 2.736 20 0 GFADRO COC1CC[NH+](CCNC(=O)Cc2ccc(Br)c(Cl)c2)CC1 ZINC000682508988 566159145 /nfs/dbraw/zinc/15/91/45/566159145.db2.gz ADCZXTUALRSMOG-UHFFFAOYSA-N 1 0 389.721 2.872 20 0 GFADRO C[C@](O)(C[C@@H](O)C[NH2+][C@H]1CCN(c2ccc(Br)cc2)C1)C1CC1 ZINC000634702657 566170407 /nfs/dbraw/zinc/17/04/07/566170407.db2.gz JUQFUWFAQDKZFQ-JQHSSLGASA-N 1 0 383.330 2.529 20 0 GFADRO CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+]C[C@@H](O)COc2cc(Cl)cc(Cl)c2)C1 ZINC000634706474 566171096 /nfs/dbraw/zinc/17/10/96/566171096.db2.gz PRZOFIRIJOIDQX-SQWLQELKSA-N 1 0 396.336 2.679 20 0 GFADRO Cc1nc(CS(=O)(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cs1 ZINC000682836305 566172205 /nfs/dbraw/zinc/17/22/05/566172205.db2.gz RUHSCGZJAWOKEQ-RDTXWAMCSA-N 1 0 379.551 2.782 20 0 GFADRO O[C@H](C[NH2+]CC1(c2ccccc2Br)CCC1)CC1(O)CCOCC1 ZINC000634715215 566172397 /nfs/dbraw/zinc/17/23/97/566172397.db2.gz ZIUIPJCAWLYDGN-HNNXBMFYSA-N 1 0 398.341 2.753 20 0 GFADRO C[C@H]([NH2+]C[C@@H](O)CC1(O)CCOCC1)c1cc(F)c(Br)cc1F ZINC000634722947 566173088 /nfs/dbraw/zinc/17/30/88/566173088.db2.gz XQGJGRVIOZVKIH-QWRGUYRKSA-N 1 0 394.256 2.670 20 0 GFADRO CC[C@@H](Cc1ccc(Br)cc1)[NH2+]C[C@@H](O)CC1(O)CCOCC1 ZINC000634722821 566173207 /nfs/dbraw/zinc/17/32/07/566173207.db2.gz VMWZVWKASUYBAG-IRXDYDNUSA-N 1 0 386.330 2.652 20 0 GFADRO C[C@H](CC(F)(F)F)CS(=O)(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000656879432 566173283 /nfs/dbraw/zinc/17/32/83/566173283.db2.gz MVFUDWMTIGZRGY-CYBMUJFWSA-N 1 0 382.448 2.635 20 0 GFADRO COc1cc(C(=O)N[C@H]2CC[NH2+]CC(C)(C)C2)cc(OC)c1Br ZINC000634756586 566174876 /nfs/dbraw/zinc/17/48/76/566174876.db2.gz ZZAPKMNXYPTTPO-LBPRGKRZSA-N 1 0 385.302 2.974 20 0 GFADRO Cc1cc(F)c(Br)cc1S(=O)(=O)N(C)CCCC[NH+](C)C ZINC000682929473 566176986 /nfs/dbraw/zinc/17/69/86/566176986.db2.gz GDAJGPNUZYBKEN-UHFFFAOYSA-N 1 0 381.311 2.859 20 0 GFADRO COC1CC[NH+](C(C)(C)CNS(=O)(=O)Cc2cc(F)ccc2Cl)CC1 ZINC000656896408 566177705 /nfs/dbraw/zinc/17/77/05/566177705.db2.gz IVZRKEBRDGJFCU-UHFFFAOYSA-N 1 0 392.924 2.788 20 0 GFADRO C[C@]1(NC(=O)N[C@@H]2CCCN(c3ccc(Cl)cc3Cl)C2=O)CC[NH2+]C1 ZINC000612905634 566179121 /nfs/dbraw/zinc/17/91/21/566179121.db2.gz WQGITLJJDLOXRT-DYVFJYSZSA-N 1 0 385.295 2.540 20 0 GFADRO O=C(N[C@@H]1CC12CC[NH2+]CC2)N1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000612966448 566180295 /nfs/dbraw/zinc/18/02/95/566180295.db2.gz PIURTGCUJIWRQW-HZPDHXFCSA-N 1 0 394.313 2.674 20 0 GFADRO Cc1ccc(CNC(=O)NCCCC[NH+]2CCN(C)CC2)cc1Br ZINC000634814889 566180512 /nfs/dbraw/zinc/18/05/12/566180512.db2.gz PQFBPOMIPVVKPU-UHFFFAOYSA-N 1 0 397.361 2.584 20 0 GFADRO O=C(N[C@@H](c1cncc(Br)c1)C1CC1)N[C@H]1CC12CC[NH2+]CC2 ZINC000612988017 566181289 /nfs/dbraw/zinc/18/12/89/566181289.db2.gz BCVSGQASMHEBNZ-LSDHHAIUSA-N 1 0 379.302 2.737 20 0 GFADRO C[C@H]1C[C@H](NS(=O)(=O)Cc2cc(F)ccc2Br)C[N@@H+]1C1CC1 ZINC000656930367 566185475 /nfs/dbraw/zinc/18/54/75/566185475.db2.gz LCYMHZNJTHNBNP-GWCFXTLKSA-N 1 0 391.306 2.633 20 0 GFADRO CC[N@@H+]1C[C@@H](C)N(C(=O)c2cc(Br)cc3[nH]c(=O)[nH]c32)C[C@@H]1C ZINC000613146933 566185973 /nfs/dbraw/zinc/18/59/73/566185973.db2.gz AHHFXDJKQVMCAS-VHSXEESVSA-N 1 0 381.274 2.586 20 0 GFADRO C[C@@H](C[NH2+][C@@H]1CCCS(=O)(=O)CC1)Oc1cccc(Br)c1 ZINC000634965861 566186230 /nfs/dbraw/zinc/18/62/30/566186230.db2.gz WAVDZEACHSQSDM-GXTWGEPZSA-N 1 0 376.316 2.773 20 0 GFADRO O=S1(=O)CCC[C@H]([NH2+][C@H]2COc3cc(F)c(Br)cc32)CC1 ZINC000634979518 566186783 /nfs/dbraw/zinc/18/67/83/566186783.db2.gz GVKCRVGXDQDGNI-ZANVPECISA-N 1 0 378.263 2.579 20 0 GFADRO CN1CCC(CNC(=O)C(=O)c2ccc(Cl)s2)([NH+]2CCCCC2)CC1 ZINC000683204645 566189144 /nfs/dbraw/zinc/18/91/44/566189144.db2.gz BQUUUMODIOTYMT-UHFFFAOYSA-N 1 0 383.945 2.651 20 0 GFADRO COc1ccc(CCC(=O)N2CC[C@@H]3CC[N@H+](C)C[C@H]32)c(Br)c1 ZINC000613328489 566193779 /nfs/dbraw/zinc/19/37/79/566193779.db2.gz MVKNEGPRPOVTAR-WMLDXEAASA-N 1 0 381.314 2.943 20 0 GFADRO CC(C)[N@@H+]1CCC[C@@H](NS(=O)(=O)Cc2cc(F)ccc2Br)C1 ZINC000656963188 566195468 /nfs/dbraw/zinc/19/54/68/566195468.db2.gz LGWWWQSXVWSHNF-CQSZACIVSA-N 1 0 393.322 2.880 20 0 GFADRO CC(C)[N@@H+]1CC[C@H](N(C)S(=O)(=O)Cc2cc(F)ccc2Br)C1 ZINC000657008711 566205069 /nfs/dbraw/zinc/20/50/69/566205069.db2.gz ASBYWHWRJDUIPA-AWEZNQCLSA-N 1 0 393.322 2.833 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@@H](CNS(=O)(=O)c2cc(Br)ccc2F)C1 ZINC000657033946 566209363 /nfs/dbraw/zinc/20/93/63/566209363.db2.gz NGRUPEOZWGTPRG-NSHDSACASA-N 1 0 393.322 2.987 20 0 GFADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1Cc1cn2cc(Br)ccc2n1 ZINC000683792296 566214376 /nfs/dbraw/zinc/21/43/76/566214376.db2.gz RRDMBAWPEDTSBR-AWEZNQCLSA-N 1 0 393.329 2.782 20 0 GFADRO Cc1c(C(=O)N[C@@H]2CCC[C@H]2[NH+](C)C)nnn1-c1cccc(Br)c1 ZINC000683903467 566218441 /nfs/dbraw/zinc/21/84/41/566218441.db2.gz CXKFLYKROHWFAS-HUUCEWRRSA-N 1 0 392.301 2.551 20 0 GFADRO O=C([C@H]1CC[N@@H+]1C1CCCC1)N1CCC(n2cc(Br)cn2)CC1 ZINC000635543372 566219025 /nfs/dbraw/zinc/21/90/25/566219025.db2.gz BMAKPNOWCZNWRJ-MRXNPFEDSA-N 1 0 381.318 2.826 20 0 GFADRO C[C@@H]([NH2+][C@H]1CCN(CCN2CCOCC2)C1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000683939746 566219740 /nfs/dbraw/zinc/21/97/40/566219740.db2.gz KNBDBLJNSLCKPO-LTIDMASMSA-N 1 0 383.989 2.890 20 0 GFADRO COc1cc(Br)c(S(=O)(=O)NCC[C@@H](C)[NH+](C)C)cc1Cl ZINC000657093840 566221839 /nfs/dbraw/zinc/22/18/39/566221839.db2.gz ZWNCGKGSINLLGW-SECBINFHSA-N 1 0 399.738 2.730 20 0 GFADRO Cc1nc(CS(=O)(=O)N2CCC[N@@H+](Cc3ccccc3)C[C@@H]2C)cs1 ZINC000684101312 566227124 /nfs/dbraw/zinc/22/71/24/566227124.db2.gz ZVBHPKMEPLYSIF-HNNXBMFYSA-N 1 0 379.551 2.878 20 0 GFADRO O=C1[C@@H]([NH2+]C[C@H]2CNc3ccnn3C2)CCN1c1ccc(Cl)c(Cl)c1 ZINC000684199560 566230092 /nfs/dbraw/zinc/23/00/92/566230092.db2.gz DYULTEGUYHKIEU-NHYWBVRUSA-N 1 0 380.279 2.627 20 0 GFADRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)N1CCOc2c(Br)cccc2C1 ZINC000684253519 566230761 /nfs/dbraw/zinc/23/07/61/566230761.db2.gz AUIQPNAOUKSMCW-JKSUJKDBSA-N 1 0 394.313 2.980 20 0 GFADRO Cc1cccc([C@@H](C)C(=O)N(CC[NH+](C)C)Cc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000737383868 598831829 /nfs/dbraw/zinc/83/18/29/598831829.db2.gz FAXYFFRYMJCONJ-QGZVFWFLSA-N 1 0 392.507 2.869 20 0 GFADRO Cc1ccc(C[C@H]2CCC[N@@H+]2CC(=O)Nc2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000737335156 598833499 /nfs/dbraw/zinc/83/34/99/598833499.db2.gz QLQNHMPVJLQZIF-LJQANCHMSA-N 1 0 376.464 2.821 20 0 GFADRO COc1cccc(C[N@H+](C)Cn2c(C)nnc2-c2cccc(-c3nn[nH]n3)c2)c1 ZINC000737131365 598849794 /nfs/dbraw/zinc/84/97/94/598849794.db2.gz OMPNKCXSJKBLHG-UHFFFAOYSA-N 1 0 390.451 2.532 20 0 GFADRO C[C@@H]1CC[C@H](NC(=O)N(CC[NH+](C)C)Cc2ccc(-c3nn[nH]n3)cc2)[C@H](C)C1 ZINC000736241502 598853821 /nfs/dbraw/zinc/85/38/21/598853821.db2.gz PGYFSTGIXFENDM-MDZRGWNJSA-N 1 0 399.543 2.765 20 0 GFADRO CS[C@@H](CO)[C@@H](C)[NH2+]Cc1cccc(OCc2cccc(-c3nn[nH]n3)c2)c1 ZINC000737170968 598887479 /nfs/dbraw/zinc/88/74/79/598887479.db2.gz MCUIEZODSSRUKL-KUHUBIRLSA-N 1 0 399.520 2.648 20 0 GFADRO CCO[C@@H]1C[C@@H]([N@H+](C)Cn2ccc(-c3ccc(-c4nn[nH]n4)cc3)n2)C1(C)C ZINC000736608250 598954435 /nfs/dbraw/zinc/95/44/35/598954435.db2.gz BUBSHJUAKHWSRT-QZTJIDSGSA-N 1 0 381.484 2.823 20 0 GFADRO COc1cc(-c2nn[nH]n2)ccc1OCC[N@@H+]1CCC[C@@H]1c1ccc(O)cc1 ZINC000737033296 598984968 /nfs/dbraw/zinc/98/49/68/598984968.db2.gz TXOAXKYFTMOFNI-QGZVFWFLSA-N 1 0 381.436 2.797 20 0 GFADRO C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)c3ccc(-c4nn[nH]n4)nc3)cc2)C1 ZINC000736275211 598994030 /nfs/dbraw/zinc/99/40/30/598994030.db2.gz AQUGSDRRFFTWAT-AWEZNQCLSA-N 1 0 377.452 2.746 20 0 GFADRO CC1CCC([NH+]2CCN(C(=O)C=Cc3ccccc3-c3nn[nH]n3)CC2)CC1 ZINC000736238992 599016948 /nfs/dbraw/zinc/01/69/48/599016948.db2.gz FPXKHQPKHLOKHT-DHZHZOJOSA-N 1 0 380.496 2.603 20 0 GFADRO CC[C@@H]1CCC[C@@H](NC(=O)N(CC[NH+](C)C)Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000736397635 599023519 /nfs/dbraw/zinc/02/35/19/599023519.db2.gz WDYQZKQXUYYCTR-VQIMIIECSA-N 1 0 399.543 2.909 20 0 GFADRO NC(=O)[C@H](c1ccc(-c2nn[nH]n2)cc1)[N@@H+]1CCC[C@@H](c2ccccc2)CC1 ZINC000737739965 599073950 /nfs/dbraw/zinc/07/39/50/599073950.db2.gz SBEIWWYQVVFBTA-APWZRJJASA-N 1 0 376.464 2.663 20 0 GFADRO Cc1cccnc1[C@H]([NH2+]CCC(=O)Nc1cccc(-c2nn[nH]n2)c1)C(C)C ZINC000737436581 599134452 /nfs/dbraw/zinc/13/44/52/599134452.db2.gz UWRKKKMGVWFNNI-GOSISDBHSA-N 1 0 379.468 2.886 20 0 GFADRO O=C(Nc1ccc(O)cc1)C1CC[NH+](Cc2ccc(F)cc2-c2nn[nH]n2)CC1 ZINC000738174405 599134454 /nfs/dbraw/zinc/13/44/54/599134454.db2.gz RCENGLWJDKUHFU-UHFFFAOYSA-N 1 0 396.426 2.562 20 0 GFADRO CCc1ccc([C@H]2CCCC[N@@H+]2C[C@H](O)COc2ccc(-c3nn[nH]n3)cc2)o1 ZINC000736688180 599138976 /nfs/dbraw/zinc/13/89/76/599138976.db2.gz UUNQEAJMHHEIMS-QFBILLFUSA-N 1 0 397.479 2.989 20 0 GFADRO CC[C@H]([NH2+]Cc1ccc(OC)c(-c2nn[nH]n2)c1)[C@H](O)c1c(F)cccc1F ZINC000820925264 599157856 /nfs/dbraw/zinc/15/78/56/599157856.db2.gz FYTZXCFKMWTHOX-YJBOKZPZSA-N 1 0 389.406 2.755 20 0 GFADRO C[C@@](CO)([NH2+]Cc1ccc(-c2nn[nH]n2)cc1)c1cccc(C(F)(F)F)c1 ZINC000736036484 599175451 /nfs/dbraw/zinc/17/54/51/599175451.db2.gz BGTGICHPOSVBHE-KRWDZBQOSA-N 1 0 377.370 2.883 20 0 GFADRO COCCC[N@H+](C)Cc1ccc(OCc2cccc(-c3nn[nH]n3)c2)c(OC)c1 ZINC000736981474 599208576 /nfs/dbraw/zinc/20/85/76/599208576.db2.gz LEFRCNJFOQUGBE-UHFFFAOYSA-N 1 0 397.479 2.923 20 0 GFADRO CC(C)Oc1ccc(-c2nn[nH]n2)cc1NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000820151689 599263739 /nfs/dbraw/zinc/26/37/39/599263739.db2.gz MUAPHYCKGGIRSJ-MQVJKMGUSA-N 1 0 399.499 2.791 20 0 GFADRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(CCC(=O)Nc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000736236728 599268538 /nfs/dbraw/zinc/26/85/38/599268538.db2.gz MFFWFEMOPOAJPW-JTDSTZFVSA-N 1 0 397.527 2.533 20 0 GFADRO C[N@H+](CCNC(=O)Nc1ccc(-c2nn[nH]n2)c(C(F)(F)F)c1)C1CCCC1 ZINC000821602539 599289226 /nfs/dbraw/zinc/28/92/26/599289226.db2.gz HTDBTMVKIGYWCJ-UHFFFAOYSA-N 1 0 397.405 2.881 20 0 GFADRO O[C@H](C[NH2+][C@H](c1ccc(F)cc1)C1CCC1)COc1ccc(-c2nn[nH]n2)cc1 ZINC000738382031 598248383 /nfs/dbraw/zinc/24/83/83/598248383.db2.gz OTGAUVYLUOQOGO-QUCCMNQESA-N 1 0 397.454 2.877 20 0 GFADRO FC(F)(F)COCCC[NH+]1CCC(Oc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000737625948 598251176 /nfs/dbraw/zinc/25/11/76/598251176.db2.gz DLCWZHXVAHOOMP-UHFFFAOYSA-N 1 0 385.390 2.679 20 0 GFADRO COc1ccccc1OCC[NH+]1CCC(Oc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000737150961 598251200 /nfs/dbraw/zinc/25/12/00/598251200.db2.gz CJLDAWNSRZFNII-UHFFFAOYSA-N 1 0 395.463 2.798 20 0 GFADRO CC1(C)CN(C(=O)Nc2ccc(-c3nn[nH]n3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000736214293 598255080 /nfs/dbraw/zinc/25/50/80/598255080.db2.gz QJWIJIJQODWXBF-UHFFFAOYSA-N 1 0 391.479 2.995 20 0 GFADRO CC(C)[N@H+](C)CCNC(=O)c1ccc(OCc2ccccc2-c2nn[nH]n2)cc1 ZINC000735856498 598301759 /nfs/dbraw/zinc/30/17/59/598301759.db2.gz IITQLBFFGDTAMO-UHFFFAOYSA-N 1 0 394.479 2.516 20 0 GFADRO CC1CC[NH+](CCNC(=S)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)CC1 ZINC000736276294 598319946 /nfs/dbraw/zinc/31/99/46/598319946.db2.gz NUXKFKHGFNYUOR-UHFFFAOYSA-N 1 0 379.921 2.538 20 0 GFADRO S=C(Nc1ccc(-c2nn[nH]n2)c(Cl)c1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000738400523 598321257 /nfs/dbraw/zinc/32/12/57/598321257.db2.gz FWFRFXDOTNUNOA-CYBMUJFWSA-N 1 0 391.932 2.777 20 0 GFADRO CC(C)[N@H+](C)CCNC(=O)c1ccc(Oc2cccc(F)c2-c2nn[nH]n2)cc1 ZINC000735856147 598407885 /nfs/dbraw/zinc/40/78/85/598407885.db2.gz FLGGSIRKNWPFGO-UHFFFAOYSA-N 1 0 398.442 2.868 20 0 GFADRO CC(C)N(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)NCC[NH+]1CCC(C)CC1 ZINC000736274755 598428394 /nfs/dbraw/zinc/42/83/94/598428394.db2.gz CBGUGLLYCHDJCF-UHFFFAOYSA-N 1 0 385.516 2.519 20 0 GFADRO CC(C)N(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)NC[C@@H](C)[NH+]1CCCCC1 ZINC000736016629 598430033 /nfs/dbraw/zinc/43/00/33/598430033.db2.gz BNAJJNDHCPSYSK-MRXNPFEDSA-N 1 0 385.516 2.661 20 0 GFADRO CC(C)(C)n1cc(-c2nn[nH]n2)cc1NC(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000735661681 598471119 /nfs/dbraw/zinc/47/11/19/598471119.db2.gz WVIGLSSNILGPCR-HNNXBMFYSA-N 1 0 386.504 2.515 20 0 GFADRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)N(Cc1ccc(-c2nn[nH]n2)cc1)C1CC1 ZINC000736263977 598479296 /nfs/dbraw/zinc/47/92/96/598479296.db2.gz AMXLLCOCLDINIH-HOTGVXAUSA-N 1 0 397.527 2.661 20 0 GFADRO C[C@@H](NC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1)c1ccc(-c2nn[nH]n2)cc1 ZINC000736111826 598482826 /nfs/dbraw/zinc/48/28/26/598482826.db2.gz FZMJOWPEMDZJGT-CRAIPNDOSA-N 1 0 383.500 2.588 20 0 GFADRO CC(C)Oc1ccc(-c2nn[nH]n2)cc1NC(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000735904746 598483289 /nfs/dbraw/zinc/48/32/89/598483289.db2.gz APZXUEBOZQTBTH-MRXNPFEDSA-N 1 0 399.499 2.746 20 0 GFADRO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000736252962 598483291 /nfs/dbraw/zinc/48/32/91/598483291.db2.gz SIPMMJDLQOIOGX-RYUDHWBXSA-N 1 0 377.880 2.905 20 0 GFADRO CC[C@H]1CCC[N@@H+]1CC(=O)Nc1c(-c2nn[nH]n2)c(C)c(C)n1Cc1ccco1 ZINC000736401040 598523902 /nfs/dbraw/zinc/52/39/02/598523902.db2.gz GCLUYSRHHJURND-HNNXBMFYSA-N 1 0 397.483 2.739 20 0 GFADRO C[C@H]([NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1cc(Cl)ccc1Cl ZINC000736137325 598527503 /nfs/dbraw/zinc/52/75/03/598527503.db2.gz WUCHXFUYGBXNEW-UWVGGRQHSA-N 1 0 393.282 2.763 20 0 GFADRO Cn1cc(CC[NH2+]Cc2cccc(OCc3ccccc3-c3nn[nH]n3)c2)cn1 ZINC000737602502 598561864 /nfs/dbraw/zinc/56/18/64/598561864.db2.gz POOMBIILFOIQOK-UHFFFAOYSA-N 1 0 389.463 2.512 20 0 GFADRO O[C@H]1CCC[C@H]([NH2+]Cc2cccc(OCc3ccccc3-c3nn[nH]n3)c2)C1 ZINC000738389770 598562479 /nfs/dbraw/zinc/56/24/79/598562479.db2.gz MSQFCMBSVRRKHD-ROUUACIJSA-N 1 0 379.464 2.839 20 0 GFADRO c1ccc(-c2nn[nH]n2)c(COc2cccc(C[NH2+]C[C@H]3CCCOC3)c2)c1 ZINC000738411540 598562497 /nfs/dbraw/zinc/56/24/97/598562497.db2.gz VBVSSMWLRHSUGN-QGZVFWFLSA-N 1 0 379.464 2.962 20 0 GFADRO C[NH+](C)[C@H]1CCN(C(=O)c2ccccc2Sc2ccccc2-c2nn[nH]n2)C1 ZINC000736757589 598600970 /nfs/dbraw/zinc/60/09/70/598600970.db2.gz VCHOGQDRYQQDGW-AWEZNQCLSA-N 1 0 394.504 2.794 20 0 GFADRO O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)Nc1ccc(F)c(-c2nn[nH]n2)c1 ZINC000738042117 598625194 /nfs/dbraw/zinc/62/51/94/598625194.db2.gz VEVKRGFIBCYUJR-MRXNPFEDSA-N 1 0 399.430 2.948 20 0 GFADRO C[C@H](CNC(=S)Nc1ccccc1-c1nn[nH]n1)[N@H+](C)Cc1ccccc1 ZINC000736025803 598643052 /nfs/dbraw/zinc/64/30/52/598643052.db2.gz NJUGZVQATPUIEC-CQSZACIVSA-N 1 0 381.509 2.674 20 0 GFADRO COc1ccc(-c2nn[nH]n2)cc1NC(=O)NC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000737064127 598730629 /nfs/dbraw/zinc/73/06/29/598730629.db2.gz UOBKHEPDCGCQDX-AWEZNQCLSA-N 1 0 395.467 2.517 20 0 GFADRO COc1ccc(-c2nn[nH]n2)cc1NC(=O)NC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000737064129 598730649 /nfs/dbraw/zinc/73/06/49/598730649.db2.gz UOBKHEPDCGCQDX-CQSZACIVSA-N 1 0 395.467 2.517 20 0 GFADRO Cc1csc([C@H]2CCC[N@@H+]2CCC(=O)Nc2ccccc2-c2nn[nH]n2)n1 ZINC000737454822 598760979 /nfs/dbraw/zinc/76/09/79/598760979.db2.gz HFPQJPCIKAPJLZ-OAHLLOKOSA-N 1 0 383.481 2.797 20 0 GFADRO CCCC[N@H+](C)CCNC(=O)c1ccc(COc2ccccc2-c2nn[nH]n2)o1 ZINC000736452199 598767652 /nfs/dbraw/zinc/76/76/52/598767652.db2.gz CCJXUVQLIRUSER-UHFFFAOYSA-N 1 0 398.467 2.500 20 0 GFADRO CC[C@@H](C)[C@@H](O)C[NH2+]Cc1cccc(OCc2ccccc2-c2nn[nH]n2)c1 ZINC000736329663 598778337 /nfs/dbraw/zinc/77/83/37/598778337.db2.gz KDOHCDQHSFOJSG-QRWLVFNGSA-N 1 0 381.480 2.942 20 0 GFADRO C[C@@H](CNC(=O)Nc1ccc(-c2nn[nH]n2)c(C(F)(F)F)c1)[NH+]1CCCCC1 ZINC000820269076 599293431 /nfs/dbraw/zinc/29/34/31/599293431.db2.gz GSJIVCRVUPRCNN-NSHDSACASA-N 1 0 397.405 2.881 20 0 GFADRO C[C@@H](c1ccc(-c2nn[nH]n2)cc1)[N@H+](C)Cc1ccccc1N1CCOCC1 ZINC000736199316 599307274 /nfs/dbraw/zinc/30/72/74/599307274.db2.gz XDFWBGLOGDCIJW-INIZCTEOSA-N 1 0 378.480 2.896 20 0 GFADRO Cc1cc(N2CC[NH+]([C@H](C)c3ccc(-c4nn[nH]n4)cc3)CC2)nc(C(C)C)n1 ZINC000737270067 599308519 /nfs/dbraw/zinc/30/85/19/599308519.db2.gz ABZBBFDVWKSVSM-MRXNPFEDSA-N 1 0 392.511 2.972 20 0 GFADRO C[C@@H](c1ccc(-c2nn[nH]n2)cc1)[N@@H+]1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000736195263 599313111 /nfs/dbraw/zinc/31/31/11/599313111.db2.gz FICYZDSAHMGZRV-UGSOOPFHSA-N 1 0 395.442 2.963 20 0 GFADRO Cc1ccc([C@@H](C[NH2+][C@@H](C)c2ccc(-c3nn[nH]n3)cc2)N2CCOCC2)s1 ZINC000737320832 599317550 /nfs/dbraw/zinc/31/75/50/599317550.db2.gz WGZAIEHQFBRUIO-MAUKXSAKSA-N 1 0 398.536 2.961 20 0 GFADRO C[C@H](c1ccc(-c2nn[nH]n2)cc1)[NH+]1CCC(C(=O)N2CCC(C)CC2)CC1 ZINC000736279503 599319738 /nfs/dbraw/zinc/31/97/38/599319738.db2.gz YNMZHCUTOWFGPH-MRXNPFEDSA-N 1 0 382.512 2.898 20 0 GFADRO C[C@@H]([NH2+][C@@H](C)c1ccc(-c2nn[nH]n2)cc1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000820404647 599377091 /nfs/dbraw/zinc/37/70/91/599377091.db2.gz ZWFFPRWQHZHPSA-FVJLSDCUSA-N 1 0 392.507 2.807 20 0 GFADRO CCC[C@H](CCc1ccccc1)[NH2+][C@@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821021845 599380728 /nfs/dbraw/zinc/38/07/28/599380728.db2.gz PGOCBGHLIYVXOO-RTBURBONSA-N 1 0 378.480 2.784 20 0 GFADRO CCC(CC)(C[NH2+][C@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1)c1ccccc1 ZINC000820887541 599386921 /nfs/dbraw/zinc/38/69/21/599386921.db2.gz FVGIOLYDEXVLPZ-SFHVURJKSA-N 1 0 378.480 2.741 20 0 GFADRO COc1ccc(OC)c(NC(=O)[C@H](C)[NH2+][C@@H](C)c2cccc(-c3nn[nH]n3)c2)c1 ZINC000821843018 599388992 /nfs/dbraw/zinc/38/89/92/599388992.db2.gz XQROLCKCGMCFBT-STQMWFEESA-N 1 0 396.451 2.562 20 0 GFADRO COc1ccc(C[NH2+][C@H]2CCCN(Cc3ccccc3)C2)cc1-c1nn[nH]n1 ZINC000821804045 599404277 /nfs/dbraw/zinc/40/42/77/599404277.db2.gz IZRNIIQVMCBCNI-SFHVURJKSA-N 1 0 378.480 2.630 20 0 GFADRO COc1ccc(C[NH2+]CC2(c3ccc(F)cc3)CCOCC2)cc1-c1nn[nH]n1 ZINC000821809824 599415416 /nfs/dbraw/zinc/41/54/16/599415416.db2.gz SMROCCUNDVXQOC-UHFFFAOYSA-N 1 0 397.454 2.852 20 0 GFADRO COc1ccc(C[NH2+]C[C@H](O)c2cccc(C(F)(F)F)c2)cc1-c1nn[nH]n1 ZINC000821808396 599433947 /nfs/dbraw/zinc/43/39/47/599433947.db2.gz GDGLVRPYPFKAQB-HNNXBMFYSA-N 1 0 393.369 2.717 20 0 GFADRO CN(C(=O)c1ccncc1)c1ccc(C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000736740514 599451886 /nfs/dbraw/zinc/45/18/86/599451886.db2.gz AHOJZSVHYHSBDW-UHFFFAOYSA-N 1 0 399.458 2.828 20 0 GFADRO CCCCn1nc(C)c(C[NH2+]CCOc2ccc(-c3nn[nH]n3)cc2)c1Cl ZINC000821083480 599452427 /nfs/dbraw/zinc/45/24/27/599452427.db2.gz ZRCVNRMRMPSIJG-UHFFFAOYSA-N 1 0 389.891 2.994 20 0 GFADRO CCOc1c(OC)cc(C[NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)cc1OC ZINC000821389821 599456120 /nfs/dbraw/zinc/45/61/20/599456120.db2.gz QLJPGJXQDPGWJM-UHFFFAOYSA-N 1 0 387.415 2.712 20 0 GFADRO CCCC(=O)Nc1cccc(C[NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)c1 ZINC000736415250 599483899 /nfs/dbraw/zinc/48/38/99/599483899.db2.gz FSIKZGOYANDOEE-UHFFFAOYSA-N 1 0 390.451 2.543 20 0 GFADRO CCCCOc1cccc(C[NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)c1 ZINC000736463425 599484077 /nfs/dbraw/zinc/48/40/77/599484077.db2.gz NETJXRBTWPXEPE-UHFFFAOYSA-N 1 0 377.452 2.983 20 0 GFADRO CC(C)[C@H](C[NH2+]Cc1cnc2ccc(-c3nn[nH]n3)cn12)Nc1ccccc1 ZINC000735706851 599489791 /nfs/dbraw/zinc/48/97/91/599489791.db2.gz DXNOORJGMAWHNU-SFHVURJKSA-N 1 0 376.468 2.741 20 0 GFADRO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[NH+]2CCCCC2)c1-c1nn[nH]n1 ZINC000737204307 599504749 /nfs/dbraw/zinc/50/47/49/599504749.db2.gz ZFFKATFXANOPQW-UHFFFAOYSA-N 1 0 397.458 2.838 20 0 GFADRO C[C@@H](NC(=O)c1cccc(C[NH+]2CCCC2)c1)c1cccc(-c2nn[nH]n2)c1 ZINC000820397757 599506877 /nfs/dbraw/zinc/50/68/77/599506877.db2.gz SMGXYTCBRKGSRU-OAHLLOKOSA-N 1 0 376.464 2.954 20 0 GFADRO Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)C[NH+]2CCCC2)c1-c1nn[nH]n1 ZINC000737203968 599506969 /nfs/dbraw/zinc/50/69/69/599506969.db2.gz WWPALDBKAMMBSU-UHFFFAOYSA-N 1 0 397.458 2.507 20 0 GFADRO FC(F)(F)c1ccc(-c2nn[nH]n2)c(N2CCC[C@@H]([NH+]3CCCC3)CC2)n1 ZINC000737631634 599531359 /nfs/dbraw/zinc/53/13/59/599531359.db2.gz HCXZPPWCWSOIDW-GFCCVEGCSA-N 1 0 381.406 2.735 20 0 GFADRO CC[N@H+](CC(=O)Nc1c(-c2nn[nH]n2)c(C)c(C)n1Cc1ccco1)C1CCC1 ZINC000736511140 599583667 /nfs/dbraw/zinc/58/36/67/599583667.db2.gz PJGLAHLFCBORGJ-UHFFFAOYSA-N 1 0 397.483 2.739 20 0 GFADRO O=c1[nH]c2ccccc2n1C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000823656794 599646735 /nfs/dbraw/zinc/64/67/35/599646735.db2.gz IRPGPZOPFGLPOP-UHFFFAOYSA-N 1 0 375.436 2.759 20 0 GFADRO CC[C@@H]1Oc2cc([C@H](C)[NH2+]Cc3ccc(-c4nn[nH]n4)cc3)ccc2NC1=O ZINC000821002644 599647009 /nfs/dbraw/zinc/64/70/09/599647009.db2.gz YFKNYQZLQGWUKV-SJCJKPOMSA-N 1 0 378.436 2.827 20 0 GFADRO COc1ccc(C[NH2+][C@@H](C)c2cccc(-n3cccn3)c2)cc1-c1nn[nH]n1 ZINC000821803140 599647524 /nfs/dbraw/zinc/64/75/24/599647524.db2.gz CIJJKAFCZIWEKX-AWEZNQCLSA-N 1 0 375.436 2.912 20 0 GFADRO C[NH+](C)CCn1ccc2ccc(NC(=O)Cc3ccc(-c4nn[nH]n4)cc3)cc21 ZINC000821587404 599651182 /nfs/dbraw/zinc/65/11/82/599651182.db2.gz VXFTUEWCQYERNR-UHFFFAOYSA-N 1 0 389.463 2.564 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)NC1(c2cccc(-c3nn[nH]n3)c2)CC1)c1ccsc1 ZINC000825849356 607449940 /nfs/dbraw/zinc/44/99/40/607449940.db2.gz KNWWNHGKPSCXKM-MRXNPFEDSA-N 1 0 397.508 2.519 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1cccc(NC(=O)[O-])c1 ZINC000737114563 600684748 /nfs/dbraw/zinc/68/47/48/600684748.db2.gz KGVARFJGXANVRU-KRWDZBQOSA-N 1 0 377.489 2.656 20 0 GFADRO c1ccc2c(c1)ncc(-c1nn[nH]n1)c2N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000823792011 607470666 /nfs/dbraw/zinc/47/06/66/607470666.db2.gz MMIRHEYNYMQDLQ-KUHUBIRLSA-N 1 0 375.480 2.868 20 0 GFADRO c1ccc2c(c1)ncc(-c1nn[nH]n1)c2N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000823792009 607470775 /nfs/dbraw/zinc/47/07/75/607470775.db2.gz MMIRHEYNYMQDLQ-AUUYWEPGSA-N 1 0 375.480 2.868 20 0 GFADRO c1ccc2c(c1)nc(-c1nn[nH]n1)cc2N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000823792218 607472035 /nfs/dbraw/zinc/47/20/35/607472035.db2.gz QAFBJEAZKPCHRY-AUUYWEPGSA-N 1 0 375.480 2.868 20 0 GFADRO CC(C)Cc1ncc(C[NH2+]C2CCN(c3ccc(-c4nn[nH]n4)cn3)CC2)s1 ZINC000820108505 607478518 /nfs/dbraw/zinc/47/85/18/607478518.db2.gz KRZQKJHARIMZCH-UHFFFAOYSA-N 1 0 398.540 2.675 20 0 GFADRO c1cc(OCCC[N@@H+]2CC[C@@H]3[C@H](CCCN3C3CC3)C2)cc(-c2nn[nH]n2)c1 ZINC000826517968 607479106 /nfs/dbraw/zinc/47/91/06/607479106.db2.gz WWNPEDYTIXGFQU-YLJYHZDGSA-N 1 0 382.512 2.584 20 0 GFADRO COc1ccc(CC[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)cc1OC(F)F ZINC000821790220 607479166 /nfs/dbraw/zinc/47/91/66/607479166.db2.gz JXQUUAZEZOUZBG-UHFFFAOYSA-N 1 0 393.369 2.948 20 0 GFADRO O[C@@H]([C@@H](Cc1ccccc1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)C(F)(F)F ZINC000823673690 607482741 /nfs/dbraw/zinc/48/27/41/607482741.db2.gz MHXXMCMPMPCZIE-CVEARBPZSA-N 1 0 395.360 2.630 20 0 GFADRO CC(C)(C)OC(=O)NC1CCC([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)CC1 ZINC000819939450 607483179 /nfs/dbraw/zinc/48/31/79/607483179.db2.gz CECGMQVPAUOFKA-UHFFFAOYSA-N 1 0 390.463 2.931 20 0 GFADRO CC[C@@H]([NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)[C@H](O)c1c(F)cccc1F ZINC000820925132 607485441 /nfs/dbraw/zinc/48/54/41/607485441.db2.gz DTWQELJAFVERIR-WBVHZDCISA-N 1 0 377.370 2.886 20 0 GFADRO COc1ccc(C[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCO3)cc1-c1nn[nH]n1 ZINC000826194380 607495240 /nfs/dbraw/zinc/49/52/40/607495240.db2.gz KPCWZXAUJUAHKP-INIZCTEOSA-N 1 0 379.420 2.941 20 0 GFADRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N[C@@H](C)c2cccc(-c3nn[nH]n3)c2)C1 ZINC000820093303 607497994 /nfs/dbraw/zinc/49/79/94/607497994.db2.gz VRBKAWRVDRSSTN-HOTGVXAUSA-N 1 0 385.516 2.595 20 0 GFADRO COc1ccc(C[N@H+](C)[C@@H]2CCCN(c3ccccc3)C2=O)cc1-c1nn[nH]n1 ZINC000826192461 607500963 /nfs/dbraw/zinc/50/09/63/607500963.db2.gz ONEWYWUCLLEGPE-GOSISDBHSA-N 1 0 392.463 2.503 20 0 GFADRO COc1ccc(-c2nn[nH]n2)cc1C[NH+]1CCC(CC(=O)NC2CCCC2)CC1 ZINC000826182195 607519431 /nfs/dbraw/zinc/51/94/31/607519431.db2.gz CRFGFALVSUWGMQ-UHFFFAOYSA-N 1 0 398.511 2.536 20 0 GFADRO COC[C@@H]([NH2+]Cc1cccc(OCc2ccccc2-c2nn[nH]n2)c1)C1CC1 ZINC000826150903 607539225 /nfs/dbraw/zinc/53/92/25/607539225.db2.gz OHQHAOVQFGGXDI-HXUWFJFHSA-N 1 0 379.464 2.960 20 0 GFADRO COc1ccc(-c2nn[nH]n2)cc1CN1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000826182263 607615712 /nfs/dbraw/zinc/61/57/12/607615712.db2.gz FVYBCAYHNYDPMI-SJORKVTESA-N 1 0 384.528 2.962 20 0 GFADRO C[C@@H]([NH2+]C[C@H]1CCCN(C(=O)[O-])C1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000739034387 603273822 /nfs/dbraw/zinc/27/38/22/603273822.db2.gz MFVAJVTZRNLBQV-HZPDHXFCSA-N 1 0 378.492 2.618 20 0 GFADRO COc1ccc(-c2nn[nH]n2)cc1C[N@@H+]1CCC[C@H](CC(=O)OC(C)(C)C)C1 ZINC000826182445 607640267 /nfs/dbraw/zinc/64/02/67/607640267.db2.gz JVXABXZQZZNKQQ-CQSZACIVSA-N 1 0 387.484 2.819 20 0 GFADRO C[C@H]1C[C@H](CNC(=O)OC(C)(C)C)C[N@@H+]1Cc1cc(-c2nn[nH]n2)ccc1F ZINC000824882380 607750039 /nfs/dbraw/zinc/75/00/39/607750039.db2.gz AVBWTZIQGGOTIP-QWHCGFSZSA-N 1 0 390.463 2.741 20 0 GFADRO O[C@H](C[N@@H+]1CC[C@H](Oc2ccccc2Cl)C1)c1ccc(-c2nn[nH]n2)cc1 ZINC000826503388 607752451 /nfs/dbraw/zinc/75/24/51/607752451.db2.gz WPCSEMWDBYUXEV-DOTOQJQBSA-N 1 0 385.855 2.707 20 0 GFADRO O=C(NCc1ccc(-c2nn[nH]n2)cc1)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000826440997 607755604 /nfs/dbraw/zinc/75/56/04/607755604.db2.gz IYJCRHULFZEWDE-UHFFFAOYSA-N 1 0 397.527 2.664 20 0 GFADRO O=C([O-])N1CCc2cccc(C[NH2+]Cc3ccccc3C[N@H+]3CC[C@@H](O)C3)c21 ZINC000834120299 605898221 /nfs/dbraw/zinc/89/82/21/605898221.db2.gz KZYJMFBJBHYGPS-HXUWFJFHSA-N 1 0 381.476 2.584 20 0 GFADRO COc1cc(-c2nn[nH]n2)ccc1OCC[NH2+]C1(c2nccs2)CCCC1 ZINC000821702323 606093735 /nfs/dbraw/zinc/09/37/35/606093735.db2.gz PRLNTYLIZYLBEA-UHFFFAOYSA-N 1 0 386.481 2.770 20 0 GFADRO C[C@H](CCNC(=O)C=Cc1ccccc1-c1nn[nH]n1)[N@H+](C)Cc1ccccc1 ZINC000820241634 606103347 /nfs/dbraw/zinc/10/33/47/606103347.db2.gz IMEKHEBGWUHBTA-GZKZCVOOSA-N 1 0 390.491 2.907 20 0 GFADRO CC[C@@H]1c2ccsc2CC[N@H+]1C[C@@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000821000374 606130637 /nfs/dbraw/zinc/13/06/37/606130637.db2.gz DJYISTNONULLKL-RHSMWYFYSA-N 1 0 385.493 2.677 20 0 GFADRO COc1ccc([C@H](C[NH2+]Cc2cc(-c3nn[nH]n3)cs2)N2CCCC2)cc1 ZINC000821777957 606209043 /nfs/dbraw/zinc/20/90/43/606209043.db2.gz PUQYZGXICGFUGN-SFHVURJKSA-N 1 0 384.509 2.864 20 0 GFADRO C[NH+](C)[C@]1(CNc2c(-c3nn[nH]n3)cnc3c(F)cc(F)cc32)CCSC1 ZINC000821581605 606241147 /nfs/dbraw/zinc/24/11/47/606241147.db2.gz PZKFIJVZVANLCC-KRWDZBQOSA-N 1 0 391.451 2.542 20 0 GFADRO C[N@@H+]1CCC[C@@H](NC(=O)c2ccc(Sc3ccccc3-c3nn[nH]n3)cc2)C1 ZINC000821624058 606261024 /nfs/dbraw/zinc/26/10/24/606261024.db2.gz YLWPCGYOXRSNCT-OAHLLOKOSA-N 1 0 394.504 2.842 20 0 GFADRO CCCCO[C@@H]1C[C@@H]([NH2+][C@@H](C)C(=O)Nc2ccccc2-c2nn[nH]n2)C1(C)C ZINC000821071568 606371798 /nfs/dbraw/zinc/37/17/98/606371798.db2.gz IYEVHISCXVAXBL-IAOVAPTHSA-N 1 0 386.500 2.767 20 0 GFADRO COc1cc([C@@H](C)[NH2+]Cc2ccc(-c3nn[nH]n3)s2)cc(OC)c1OC ZINC000821708404 606409312 /nfs/dbraw/zinc/40/93/12/606409312.db2.gz PBKPNZMDENYAAR-SNVBAGLBSA-N 1 0 375.454 2.805 20 0 GFADRO CC[NH+]1CCN(c2ccc(NCc3ccc(-c4nn[nH]n4)s3)c(C)c2)CC1 ZINC000821275974 606410898 /nfs/dbraw/zinc/41/08/98/606410898.db2.gz GCWLKPRAMCDYKX-UHFFFAOYSA-N 1 0 383.525 2.991 20 0 GFADRO C[C@@H]([NH2+]C1(CNCc2ccc(-c3nn[nH]n3)s2)CCOCC1)c1ccccc1 ZINC000820414004 606421706 /nfs/dbraw/zinc/42/17/06/606421706.db2.gz WOFZWYWRVANAES-OAHLLOKOSA-N 1 0 398.536 2.918 20 0 GFADRO CC[N@H+](C)C[C@H]1CCN(c2c(-c3nn[nH]n3)cnc3c(F)ccc(Cl)c32)C1 ZINC000821161022 606432014 /nfs/dbraw/zinc/43/20/14/606432014.db2.gz TUXZWWDUSQHJLL-LLVKDONJSA-N 1 0 389.866 2.985 20 0 GFADRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000820759348 606483987 /nfs/dbraw/zinc/48/39/87/606483987.db2.gz JPCJTJFMUMJXJT-HNAYVOBHSA-N 1 0 391.479 2.899 20 0 GFADRO CN(C(=O)c1cc(-c2nn[nH]n2)cs1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000821573165 606512421 /nfs/dbraw/zinc/51/24/21/606512421.db2.gz DGJGMLFSNZJLIO-UHFFFAOYSA-N 1 0 382.493 2.665 20 0 GFADRO CC[NH+](CC)CCN(Cc1nnc(-c2ccc(-c3nn[nH]n3)cc2)o1)CC(C)C ZINC000821189626 606515926 /nfs/dbraw/zinc/51/59/26/606515926.db2.gz QPAVAQRLTHWVAG-UHFFFAOYSA-N 1 0 398.515 2.717 20 0 GFADRO O=C(NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc(-c2nn[nH]n2)s1 ZINC000823175314 606538962 /nfs/dbraw/zinc/53/89/62/606538962.db2.gz FNRWODZJINIDHR-HNNXBMFYSA-N 1 0 382.493 2.570 20 0 GFADRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)c1ccc(-c2nn[nH]n2)s1 ZINC000820761301 606571303 /nfs/dbraw/zinc/57/13/03/606571303.db2.gz WWXPYMIXSFOLHR-AWEZNQCLSA-N 1 0 382.493 2.665 20 0 GFADRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccc(-c2nn[nH]n2)s1 ZINC000821596185 606577573 /nfs/dbraw/zinc/57/75/73/606577573.db2.gz BYEKAWWKRAHWNH-HNNXBMFYSA-N 1 0 382.493 2.522 20 0 GFADRO CC(C)C1CCC([NH+]2CCN(C(=O)c3sccc3-c3nn[nH]n3)CC2)CC1 ZINC000820037285 606605867 /nfs/dbraw/zinc/60/58/67/606605867.db2.gz BMLLLCDQUBGZRA-UHFFFAOYSA-N 1 0 388.541 2.901 20 0 GFADRO C[C@@H](C(=O)Nc1cccc(-c2nn[nH]n2)c1)[N@@H+]1CC[C@](C)(c2ccccc2)C1 ZINC000819866562 606717011 /nfs/dbraw/zinc/71/70/11/606717011.db2.gz NYZBIFCAJIFDRD-BTYIYWSLSA-N 1 0 376.464 2.857 20 0 GFADRO C[C@H](C(=O)Nc1ccccc1-c1nn[nH]n1)[N@@H+]1CC[C@](C)(c2ccccc2)C1 ZINC000819877232 606717350 /nfs/dbraw/zinc/71/73/50/606717350.db2.gz RMMHILVPXAVUAN-VFNWGFHPSA-N 1 0 376.464 2.857 20 0 GFADRO CCCC[N@H+](CC)Cc1cccc(CNC(=O)c2ccc(-c3nn[nH]n3)cn2)c1 ZINC000821061480 606718992 /nfs/dbraw/zinc/71/89/92/606718992.db2.gz OMFPHGLOPUAZGI-UHFFFAOYSA-N 1 0 393.495 2.814 20 0 GFADRO Brc1cccc(N2CC[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)c1 ZINC000819688991 606720648 /nfs/dbraw/zinc/72/06/48/606720648.db2.gz RYEQKDUTVYBSLD-MRXNPFEDSA-N 1 0 399.296 2.998 20 0 GFADRO COc1cc(C[N@@H+]2CC[C@@H](Nc3ccc(F)cc3-c3nn[nH]n3)C2)cc(OC)c1 ZINC000821717184 606727858 /nfs/dbraw/zinc/72/78/58/606727858.db2.gz JVEOGGMXGVFODQ-OAHLLOKOSA-N 1 0 398.442 2.709 20 0 GFADRO CC(C)(C)OC(=O)C[C@H]1CCC[N@H+](Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC000819928610 606753307 /nfs/dbraw/zinc/75/33/07/606753307.db2.gz RRXQWOUUHGSEKI-CYBMUJFWSA-N 1 0 375.448 2.950 20 0 GFADRO CC(C)(C)OC(=O)C[C@@H]1CCC[N@H+](Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC000819928611 606753347 /nfs/dbraw/zinc/75/33/47/606753347.db2.gz RRXQWOUUHGSEKI-ZDUSSCGKSA-N 1 0 375.448 2.950 20 0 GFADRO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=S)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)C1 ZINC000820753137 606764828 /nfs/dbraw/zinc/76/48/28/606764828.db2.gz WSBVXEWHUNVDBN-YGRLFVJLSA-N 1 0 379.921 2.535 20 0 GFADRO Cc1cc(-c2nn[nH]n2)ccc1Oc1ccc(C(=O)N[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000822145345 606790921 /nfs/dbraw/zinc/79/09/21/606790921.db2.gz QQPWLDDVNFKQLX-KRWDZBQOSA-N 1 0 392.463 2.791 20 0 GFADRO COc1ccc(OC)c([C@@H]2CCC[N@@H+]2C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)c1 ZINC000821841165 606848910 /nfs/dbraw/zinc/84/89/10/606848910.db2.gz FAUMAZLRFIDSDI-OALUTQOASA-N 1 0 395.463 2.754 20 0 GFADRO O[C@@H](C[N@@H+](Cc1ccccc1)C[C@@H]1CCCO1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823675409 606858136 /nfs/dbraw/zinc/85/81/36/606858136.db2.gz WSWQNXGPRLKLAZ-PMACEKPBSA-N 1 0 379.464 2.581 20 0 GFADRO Cc1nc(C2CC[NH+](C[C@@H](O)c3ccc(-c4nn[nH]n4)cc3)CC2)sc1C ZINC000822435691 606859720 /nfs/dbraw/zinc/85/97/20/606859720.db2.gz ACWDUUJRYODMMK-QGZVFWFLSA-N 1 0 384.509 2.853 20 0 GFADRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)c1-c1nn[nH]n1 ZINC000822015830 606882103 /nfs/dbraw/zinc/88/21/03/606882103.db2.gz PLBTWUBEUKGGNV-STQMWFEESA-N 1 0 397.483 2.738 20 0 GFADRO CC[N@H+](C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1)[C@@H](C)Cc1ccc(OC)cc1 ZINC000821169726 606897550 /nfs/dbraw/zinc/89/75/50/606897550.db2.gz CBWQWXSCNLZYHN-MGPUTAFESA-N 1 0 381.480 2.862 20 0 GFADRO Cc1ccc([C@H]2CSCC[N@@H+]2C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000822233893 606899420 /nfs/dbraw/zinc/89/94/20/606899420.db2.gz XLDMCZCHBPAOQE-MOPGFXCFSA-N 1 0 381.505 2.999 20 0 GFADRO C[C@H]1C[C@H](NC(=O)CCc2ccc(-c3nn[nH]n3)cc2)C[N@@H+]1Cc1ccccc1 ZINC000820658033 606904189 /nfs/dbraw/zinc/90/41/89/606904189.db2.gz OSVPCICNRNDFCJ-JXFKEZNVSA-N 1 0 390.491 2.579 20 0 GFADRO CCc1nnc(NC[C@@H](c2ccco2)[NH+]2CCCC2)c(-c2nn[nH]n2)c1CC ZINC000821535840 606909662 /nfs/dbraw/zinc/90/96/62/606909662.db2.gz QOBUNMZCQIMRGU-HNNXBMFYSA-N 1 0 382.472 2.624 20 0 GFADRO CCC[N@H+](C[C@H](O)c1ccc(-c2nn[nH]n2)cc1)[C@H](C)C(=O)Nc1ccccc1 ZINC000821094782 606922552 /nfs/dbraw/zinc/92/25/52/606922552.db2.gz QNVDUAYAZYWPRT-BEFAXECRSA-N 1 0 394.479 2.639 20 0 GFADRO CCc1nc2c(s1)[C@H]([N@H+](C)C[C@@H](O)c1ccc(-c3nn[nH]n3)cc1)CCC2 ZINC000821510125 606933204 /nfs/dbraw/zinc/93/32/04/606933204.db2.gz XHTGJKODDSTMSG-HZPDHXFCSA-N 1 0 384.509 2.928 20 0 GFADRO FC(F)(F)c1ccc(NCC2([NH+]3CCCC3)CCOCC2)c(-c2nn[nH]n2)c1 ZINC000822728770 606933366 /nfs/dbraw/zinc/93/33/66/606933366.db2.gz MHZACIVOPCSDLT-UHFFFAOYSA-N 1 0 396.417 2.942 20 0 GFADRO C[C@@H]([NH2+]Cc1cccc(-c2nn[nH]n2)c1)c1ccc(-n2cncn2)cc1Cl ZINC000820433519 606996869 /nfs/dbraw/zinc/99/68/69/606996869.db2.gz YKONVSWUGPZQHJ-GFCCVEGCSA-N 1 0 380.843 2.952 20 0 GFADRO c1ccc(C[N@@H+]2CCC[C@@H]3CN(c4ccc(-c5nn[nH]n5)cn4)CC[C@@H]32)cc1 ZINC000823779936 607032264 /nfs/dbraw/zinc/03/22/64/607032264.db2.gz LPKKTNWNHLDKKV-MOPGFXCFSA-N 1 0 375.480 2.753 20 0 GFADRO C[C@H](C(=O)Nc1cccc(-c2nn[nH]n2)c1)[N@@H+]1CCC[C@@H](Nc2ccccc2)C1 ZINC000819877087 607177377 /nfs/dbraw/zinc/17/73/77/607177377.db2.gz OHJUSZQCLGZUQB-DNVCBOLYSA-N 1 0 391.479 2.770 20 0 GFADRO COc1cc(N[C@H]2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C2)cc(OC)c1 ZINC000821720424 607177717 /nfs/dbraw/zinc/17/77/17/607177717.db2.gz REGMFLRZQHXDTL-KRWDZBQOSA-N 1 0 394.479 2.960 20 0 GFADRO O=C(CC[N@@H+]1CCC[C@H](Nc2ccccc2)C1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000822965024 607178038 /nfs/dbraw/zinc/17/80/38/607178038.db2.gz XGUGYOJPTUMSBE-IBGZPJMESA-N 1 0 391.479 2.772 20 0 GFADRO CC(C)[C@@H](C(=O)Nc1ccc(Oc2cccc(-c3nn[nH]n3)c2)nc1)[NH+](C)C ZINC000735691855 607203963 /nfs/dbraw/zinc/20/39/63/607203963.db2.gz QEXBYRQTCQGAKF-KRWDZBQOSA-N 1 0 381.440 2.579 20 0 GFADRO CCCCC[C@H]1CCC[N@@H+]1CCS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000825268633 607829776 /nfs/dbraw/zinc/82/97/76/607829776.db2.gz WVSQNHRTZJXEHO-INIZCTEOSA-N 1 0 377.514 2.685 20 0 GFADRO C[C@@H]1C[NH+](C(C)(C)CNc2ccc3cc(-c4nn[nH]n4)ccc3n2)C[C@@H](C)O1 ZINC000824978750 607839392 /nfs/dbraw/zinc/83/93/92/607839392.db2.gz WYVYOIJGTRHQAC-ZIAGYGMSSA-N 1 0 381.484 2.715 20 0 GFADRO OC[C@@H](C1CC1)[N@H+](CCOc1ccccc1-c1nn[nH]n1)Cc1ccccc1 ZINC000826506936 607858732 /nfs/dbraw/zinc/85/87/32/607858732.db2.gz FUQMAUNGKXLRSW-IBGZPJMESA-N 1 0 379.464 2.519 20 0 GFADRO CCO[C@@H]1C[C@H]([N@H+](C)Cc2cccc(C(=O)OC)c2-c2nn[nH]n2)C12CCCC2 ZINC000825582607 607925166 /nfs/dbraw/zinc/92/51/66/607925166.db2.gz LYDLVJPJXXWKDI-DLBZAZTESA-N 1 0 399.495 2.823 20 0 GFADRO CC(=O)c1ccc2c(c1)CC[N@@H+](CCCOc1ccc(-c3nn[nH]n3)cc1)CC2 ZINC000824029076 607925790 /nfs/dbraw/zinc/92/57/90/607925790.db2.gz CAZKHTPQSBKJQZ-UHFFFAOYSA-N 1 0 391.475 2.939 20 0 GFADRO COc1ccc(-c2nn[nH]n2)cc1C[N@@H+]1CCc2ccc(C(C)=O)cc2CC1 ZINC000826184412 607926773 /nfs/dbraw/zinc/92/67/73/607926773.db2.gz WDPLANHZQWEUMH-UHFFFAOYSA-N 1 0 377.448 2.679 20 0 GFADRO c1sc(C2CC2)nc1CN1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826514231 607983130 /nfs/dbraw/zinc/98/31/30/607983130.db2.gz LETJYRZWOMZCLA-UHFFFAOYSA-N 1 0 395.536 2.909 20 0 GFADRO FC(F)(F)c1ccc(NC2CC[NH+]([C@H]3CCOC3)CC2)c(-c2nn[nH]n2)c1 ZINC000826368810 608016385 /nfs/dbraw/zinc/01/63/85/608016385.db2.gz BVJLTLGOAXWQML-ZDUSSCGKSA-N 1 0 382.390 2.551 20 0 GFADRO C[NH2+]CCCc1[nH]nc(NC(=O)[C@H](CC(C)C)c2ccccc2)c1-c1nn[nH]n1 ZINC000826073398 608021895 /nfs/dbraw/zinc/02/18/95/608021895.db2.gz QOJRPBJMXLNAIV-OAHLLOKOSA-N 1 0 396.499 2.510 20 0 GFADRO CC(C)[NH+]1CCC(N(C)c2ccc(-c3nn[nH]n3)cc2Br)CC1 ZINC000824296853 608047137 /nfs/dbraw/zinc/04/71/37/608047137.db2.gz LBLNHEKALNFNLR-UHFFFAOYSA-N 1 0 379.306 2.938 20 0 GFADRO C[N@@H+]1CCC[C@H]2CN(c3ccc(-c4nn[nH]n4)cc3Br)CC[C@@H]21 ZINC000826033466 608051451 /nfs/dbraw/zinc/05/14/51/608051451.db2.gz DQFQHGRVUFKTGY-JSGCOSHPSA-N 1 0 377.290 2.550 20 0 GFADRO Cc1cccc([C@@H]2CC[N@@H+]([C@H](C)C(=O)Nc3ccccc3-c3nn[nH]n3)C2)c1 ZINC000826297609 608127534 /nfs/dbraw/zinc/12/75/34/608127534.db2.gz MRKQPIJVYKGQRA-NVXWUHKLSA-N 1 0 376.464 2.992 20 0 GFADRO Cc1ccc([C@H]2CC[N@H+](CCC(=O)Nc3ccccc3-c3nn[nH]n3)C2)cc1 ZINC000826286292 608127666 /nfs/dbraw/zinc/12/76/66/608127666.db2.gz XNTXCHWXXMBMBR-KRWDZBQOSA-N 1 0 376.464 2.993 20 0 GFADRO Fc1cccc(O[C@H]2CC[N@H+](CCCOc3cccc(-c4nn[nH]n4)c3)C2)c1 ZINC000826377426 608128774 /nfs/dbraw/zinc/12/87/74/608128774.db2.gz ROBWDFLQUFYICI-IBGZPJMESA-N 1 0 383.427 2.928 20 0 GFADRO CCOC(=O)C(F)(F)[C@@H]1CCC[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC000825492082 608208624 /nfs/dbraw/zinc/20/86/24/608208624.db2.gz CYJIPVPWACKTLF-HUUCEWRRSA-N 1 0 379.411 2.714 20 0 GFADRO COc1cc(-c2nn[nH]n2)ccc1OCC[NH+]1CCC(Cc2cccnc2)CC1 ZINC000826175816 608209020 /nfs/dbraw/zinc/20/90/20/608209020.db2.gz RMXBHDHLQYENTG-UHFFFAOYSA-N 1 0 394.479 2.604 20 0 GFADRO O=C(CCc1ccc(-c2nn[nH]n2)cc1)OC[C@H]1CCC[N@@H+]1Cc1ccco1 ZINC000826408399 608249187 /nfs/dbraw/zinc/24/91/87/608249187.db2.gz DQEQOQCXFDLXNJ-QGZVFWFLSA-N 1 0 381.436 2.600 20 0 GFADRO COc1ccc(C[NH2+]Cc2cn(C)nc2-c2ccccc2)cc1-c1nn[nH]n1 ZINC000826202699 608252277 /nfs/dbraw/zinc/25/22/77/608252277.db2.gz IZTADEATDGCOQH-UHFFFAOYSA-N 1 0 375.436 2.566 20 0 GFADRO COc1ccc([C@H](CNc2nc(C)ccc2-c2nn[nH]n2)[NH+]2CCCC2)cc1 ZINC000826189423 608270568 /nfs/dbraw/zinc/27/05/68/608270568.db2.gz VKJJUDCZKUFYMI-SFHVURJKSA-N 1 0 379.468 2.828 20 0 GFADRO COc1cccc(C[C@@H]([NH2+]CCOc2ccc(-c3nn[nH]n3)cc2)C2CC2)c1 ZINC000826215988 608281735 /nfs/dbraw/zinc/28/17/35/608281735.db2.gz FWQWVWSHQBMSHZ-HXUWFJFHSA-N 1 0 379.464 2.865 20 0 GFADRO COc1ccc(C[NH2+][C@@H](C)CC(=O)Nc2cccc(F)c2)cc1-c1nn[nH]n1 ZINC000826202010 608286470 /nfs/dbraw/zinc/28/64/70/608286470.db2.gz LQQSQAVQQGHRQX-LBPRGKRZSA-N 1 0 384.415 2.521 20 0 GFADRO C[C@H]([NH2+]Cc1cnc2ccc(-c3nn[nH]n3)cn12)[C@H]1Oc2ccccc2[C@H]1C ZINC000824627257 608307943 /nfs/dbraw/zinc/30/79/43/608307943.db2.gz VMHHJRKHBNMSMG-NQCMUKECSA-N 1 0 375.436 2.557 20 0 GFADRO c1cc(-c2nn[nH]n2)cc(-c2nnc(C[N@H+]3CCC[C@@H](C[C@H]4CCOC4)C3)o2)c1 ZINC000826512891 608326538 /nfs/dbraw/zinc/32/65/38/608326538.db2.gz SMYMRZSBLOWIHY-LSDHHAIUSA-N 1 0 395.467 2.555 20 0 GFADRO COc1cc(-c2nn[nH]n2)ccc1CN1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000826168982 608362779 /nfs/dbraw/zinc/36/27/79/608362779.db2.gz DTFSHHADSURGBI-DLBZAZTESA-N 1 0 384.528 2.962 20 0 GFADRO COc1cc(-c2nn[nH]n2)ccc1CN1CCC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000826169061 608365644 /nfs/dbraw/zinc/36/56/44/608365644.db2.gz HAVQXIJOMCRDGP-QGZVFWFLSA-N 1 0 392.507 2.972 20 0 GFADRO COc1cc(-c2nn[nH]n2)ccc1CN1CC[N@H+](Cc2ccccc2)CC[C@@H]1C ZINC000826169470 608367621 /nfs/dbraw/zinc/36/76/21/608367621.db2.gz TYHVRNMBVPCDCF-KRWDZBQOSA-N 1 0 392.507 2.972 20 0 GFADRO COc1cc(-c2nn[nH]n2)ccc1CN1CC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC000826168709 608368712 /nfs/dbraw/zinc/36/87/12/608368712.db2.gz VYOAJNDSKOSBPS-LJQANCHMSA-N 1 0 378.480 2.582 20 0 GFADRO COc1cc(-c2nn[nH]n2)ccc1C[N@H+](Cc1ccccc1)[C@@H](CO)C1CC1 ZINC000826168318 608373926 /nfs/dbraw/zinc/37/39/26/608373926.db2.gz JLPJOAYDCMDHCY-IBGZPJMESA-N 1 0 379.464 2.648 20 0 GFADRO COc1cccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2oc(C)c(C)c2-c2nn[nH]n2)c1 ZINC000826214417 608432180 /nfs/dbraw/zinc/43/21/80/608432180.db2.gz LNCNJWDTTOYFFV-RYUDHWBXSA-N 1 0 384.440 2.763 20 0 GFADRO COc1cc(C)c([C@@H](C)[NH2+]CCOc2ccccc2-c2nn[nH]n2)cc1OC ZINC000826178410 608448508 /nfs/dbraw/zinc/44/85/08/608448508.db2.gz WTBSIKMZHNTWRQ-CQSZACIVSA-N 1 0 383.452 2.922 20 0 GFADRO C[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2OC(F)F)C[C@H]1n1ccnc1 ZINC000824954399 608452568 /nfs/dbraw/zinc/45/25/68/608452568.db2.gz JVTJNXYLTPANMQ-SWLSCSKDSA-N 1 0 389.410 2.748 20 0 GFADRO CC(C)Oc1ccccc1[C@H](C)[NH2+]CC(=O)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000824333862 608453211 /nfs/dbraw/zinc/45/32/11/608453211.db2.gz OSIDPSCHVOFUNF-HNNXBMFYSA-N 1 0 394.479 2.621 20 0 GFADRO C[C@@H]([NH2+]CCOc1ccccc1-c1nn[nH]n1)c1ccc(NC(=O)C2CC2)cc1 ZINC000824599302 608457842 /nfs/dbraw/zinc/45/78/42/608457842.db2.gz ODKZEFLGYDQRHA-CQSZACIVSA-N 1 0 392.463 2.945 20 0 GFADRO C[C@@H]([NH2+]CC(=O)N1CCSc2ccccc21)c1ccc(-c2nn[nH]n2)cc1 ZINC000824554908 608462049 /nfs/dbraw/zinc/46/20/49/608462049.db2.gz SOOHAIXWFRSANE-CYBMUJFWSA-N 1 0 380.477 2.656 20 0 GFADRO COc1ccc(Cl)cc1NC(=O)C[NH2+][C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000826208440 608464485 /nfs/dbraw/zinc/46/44/85/608464485.db2.gz KOFIFPVDGQVWCV-NSHDSACASA-N 1 0 386.843 2.818 20 0 GFADRO CC[C@H]([NH2+]CCOc1ccccc1-c1nn[nH]n1)c1ccc2c(c1)OCCO2 ZINC000825141785 608470631 /nfs/dbraw/zinc/47/06/31/608470631.db2.gz PGDKAMDIFPFZJN-INIZCTEOSA-N 1 0 381.436 2.758 20 0 GFADRO C[C@@H]([NH2+]CC(=O)NCc1cccc(-c2nn[nH]n2)c1)c1ccc(F)c(Cl)c1 ZINC000824562251 608471309 /nfs/dbraw/zinc/47/13/09/608471309.db2.gz DHOZNNBEFTUHPO-LLVKDONJSA-N 1 0 388.834 2.626 20 0 GFADRO COc1ccc([C@H](C)[NH2+]CCC(=O)Nc2ccc(-c3nn[nH]n3)cc2)cc1OC ZINC000826187666 608472386 /nfs/dbraw/zinc/47/23/86/608472386.db2.gz AVYOVGPZLJVBSY-ZDUSSCGKSA-N 1 0 396.451 2.563 20 0 GFADRO C[C@@H]([NH2+]CC(=O)NCCCSc1ccccc1)c1cccc(-c2nn[nH]n2)c1 ZINC000824563430 608481948 /nfs/dbraw/zinc/48/19/48/608481948.db2.gz OFAIRLWCDPCZKA-OAHLLOKOSA-N 1 0 396.520 2.816 20 0 GFADRO C[C@H]([NH2+]CC(=O)N[C@H](c1ccccc1)C1CC1)c1cccc(-c2nn[nH]n2)c1 ZINC000824554721 608484289 /nfs/dbraw/zinc/48/42/89/608484289.db2.gz RIACSQYXJTXXCT-VBKZILBWSA-N 1 0 376.464 2.785 20 0 GFADRO C[C@@H]([NH2+]CC(=O)Nc1nc(-c2ccco2)cs1)c1cccc(-c2nn[nH]n2)c1 ZINC000824563425 608488225 /nfs/dbraw/zinc/48/82/25/608488225.db2.gz OEJFMOBFUHTDIW-LLVKDONJSA-N 1 0 395.448 2.873 20 0 GFADRO CCSc1ccc([C@@H](C)[NH2+]CC(=O)NCc2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000825674921 608495607 /nfs/dbraw/zinc/49/56/07/608495607.db2.gz VAEBJKXBYXDKNN-CQSZACIVSA-N 1 0 396.520 2.946 20 0 GFADRO Cc1ccc(C(=O)NCC[NH2+][C@@H]2CCCc3cc(-c4nn[nH]n4)ccc32)cc1F ZINC000826282097 608500365 /nfs/dbraw/zinc/50/03/65/608500365.db2.gz XXTGBGIVFRBQCI-LJQANCHMSA-N 1 0 394.454 2.711 20 0 GFADRO c1ccc(CN2CCC([NH2+][C@@H]3CCCc4cc(-c5nn[nH]n5)ccc43)CC2)nc1 ZINC000826521352 608502552 /nfs/dbraw/zinc/50/25/52/608502552.db2.gz JIMZSABIGUCOSZ-OAQYLSRUSA-N 1 0 389.507 2.893 20 0 GFADRO Fc1ccc(/C=C\CN2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)cc1 ZINC000826374419 608503119 /nfs/dbraw/zinc/50/31/19/608503119.db2.gz YIEDNLJJAHIPGM-UPHRSURJSA-N 1 0 378.455 2.837 20 0 GFADRO Cc1cccc(C(=O)NCC[NH2+][C@@H]2CCCc3cc(-c4nn[nH]n4)ccc32)c1 ZINC000826296394 608504335 /nfs/dbraw/zinc/50/43/35/608504335.db2.gz UZUXTMCGZNGGHU-LJQANCHMSA-N 1 0 376.464 2.572 20 0 GFADRO C[C@H]([NH2+][C@H]1CCCc2cc(-c3nn[nH]n3)ccc21)C(=O)NCc1ccccc1 ZINC000824547659 608505331 /nfs/dbraw/zinc/50/53/31/608505331.db2.gz REGPDCBEKLGFLP-LIRRHRJNSA-N 1 0 376.464 2.539 20 0 GFADRO Cc1cc(Cl)cc(C)c1C[NH+]1CCN(c2ncccc2-c2nn[nH]n2)CC1 ZINC000826267383 608508770 /nfs/dbraw/zinc/50/87/70/608508770.db2.gz CRAUUPCLHQUHLM-UHFFFAOYSA-N 1 0 383.887 2.854 20 0 GFADRO c1cncc(-c2cccc(C[NH+]3CCN(c4ccc(-c5nn[nH]n5)cn4)CC3)c2)c1 ZINC000826525660 608518572 /nfs/dbraw/zinc/51/85/72/608518572.db2.gz UCXWTJXPPBYIOO-UHFFFAOYSA-N 1 0 398.474 2.646 20 0 GFADRO Cn1cc(C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C2CC2)c(-c2cccnc2)n1 ZINC000826360637 608520282 /nfs/dbraw/zinc/52/02/82/608520282.db2.gz SBHXLJRZFYJWGI-UHFFFAOYSA-N 1 0 386.463 2.827 20 0 GFADRO Cc1ccc([C@H](C)NC(=O)C[NH2+]C2(c3cccc(-c4nn[nH]n4)c3)CC2)cc1C ZINC000826283505 608532642 /nfs/dbraw/zinc/53/26/42/608532642.db2.gz SONDYMACGWXFCX-INIZCTEOSA-N 1 0 390.491 2.940 20 0 GFADRO C[C@@H](NC(=O)C[NH2+]C1(c2cccc(-c3nn[nH]n3)c2)CC1)c1ccccc1Cl ZINC000824477657 608533251 /nfs/dbraw/zinc/53/32/51/608533251.db2.gz BRVLLOXZCBBPTM-CYBMUJFWSA-N 1 0 396.882 2.976 20 0 GFADRO CC(C)([NH2+]C[C@@H](O)COc1ccc(-c2nn[nH]n2)cc1)c1cccc(Cl)c1 ZINC000824166261 608534940 /nfs/dbraw/zinc/53/49/40/608534940.db2.gz GLESJZWHLRYLQX-MRXNPFEDSA-N 1 0 387.871 2.785 20 0 GFADRO O=C(NC1CC1)c1ccc(C[N@H+](Cc2cc(-c3nn[nH]n3)cs2)C2CC2)cc1 ZINC000826429287 608544782 /nfs/dbraw/zinc/54/47/82/608544782.db2.gz ZBOKDQCRGXLTCS-UHFFFAOYSA-N 1 0 394.504 2.985 20 0 GFADRO COc1cc(-c2nn[nH]n2)ccc1OCC[NH2+][C@H](C)c1cccc(F)c1F ZINC000826176241 608560938 /nfs/dbraw/zinc/56/09/38/608560938.db2.gz HNUQIEZJPHHFNO-LLVKDONJSA-N 1 0 375.379 2.883 20 0 GFADRO C[C@H]([NH2+]CCCOc1cccc(-c2nn[nH]n2)c1)c1ccc([S@@](C)=O)cc1 ZINC000824591635 608579148 /nfs/dbraw/zinc/57/91/48/608579148.db2.gz JLQLJLODSZKITH-PGGUUEOZSA-N 1 0 385.493 2.724 20 0 GFADRO CCC[C@H](C[NH+]1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1)c1ccccc1 ZINC000825242194 608580831 /nfs/dbraw/zinc/58/08/31/608580831.db2.gz KOEDRQOPGDSLJR-LJQANCHMSA-N 1 0 377.496 2.968 20 0 GFADRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(Cc2cnc3ccc(-c4nn[nH]n4)cn23)C1 ZINC000824935735 608638718 /nfs/dbraw/zinc/63/87/18/608638718.db2.gz CRWHGPXEODARBB-IRXDYDNUSA-N 1 0 394.527 2.601 20 0 GFADRO Cc1csc([C@H]2CCC[N@H+](Cc3cnc4ccc(-c5nn[nH]n5)cn34)C2)n1 ZINC000826320011 608664762 /nfs/dbraw/zinc/66/47/62/608664762.db2.gz CLZMVODHCXIADC-AWEZNQCLSA-N 1 0 380.481 2.659 20 0 GFADRO C[N@H+](Cc1cc(-c2nn[nH]n2)cs1)[C@H](CO)c1cccc(Br)c1 ZINC000825953282 608740968 /nfs/dbraw/zinc/74/09/68/608740968.db2.gz CRBTUDIMJJCTES-CQSZACIVSA-N 1 0 394.298 2.856 20 0 GFADRO CC[C@@H](C)[C@H]1CN(Cc2ccc(C)nc2)CC[N@@H+]1Cc1ccc(-c2nn[nH]n2)o1 ZINC000825060814 608838767 /nfs/dbraw/zinc/83/87/67/608838767.db2.gz TUAXQYXLTVJACZ-DNVCBOLYSA-N 1 0 395.511 2.896 20 0 GFADRO C[C@H]([NH2+]C1CCN(Cc2ccccn2)CC1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824554348 609133153 /nfs/dbraw/zinc/13/31/53/609133153.db2.gz OVNSPVCWCWWEPP-AWEZNQCLSA-N 1 0 381.459 2.716 20 0 GFADRO C[C@@H]([NH2+]Cc1cccc(N2CCOC2=O)c1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824618200 609135174 /nfs/dbraw/zinc/13/51/74/609135174.db2.gz MYWUMKXIKUYUDH-GFCCVEGCSA-N 1 0 382.399 2.813 20 0 GFADRO C[C@H]1CC(C(=O)N2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)C[C@H](C)C1 ZINC000824877434 609140385 /nfs/dbraw/zinc/14/03/85/609140385.db2.gz YDYFRHBYESQMEW-IAGOWNOFSA-N 1 0 396.539 2.973 20 0 GFADRO C[C@H]([NH2+]C[C@H]1CC(=O)N(Cc2ccccc2)C1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824578821 609155166 /nfs/dbraw/zinc/15/51/66/609155166.db2.gz WXJPEVOSFRTDRL-GOEBONIOSA-N 1 0 394.454 2.705 20 0 GFADRO CC(C)[C@H]1C[C@H]([NH2+]C2CCC(Oc3ccc(-c4nn[nH]n4)cn3)CC2)CCO1 ZINC000824216398 609155513 /nfs/dbraw/zinc/15/55/13/609155513.db2.gz QYBTYPKVPBJYNX-GPQLOAJWSA-N 1 0 386.500 2.745 20 0 GFADRO C[C@H](CCc1ccco1)[NH2+][C@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000824412568 609168417 /nfs/dbraw/zinc/16/84/17/609168417.db2.gz BAVKFQTXJOXXPP-KDOFPFPSSA-N 1 0 380.452 2.566 20 0 GFADRO C[C@@H](O)[C@@H]1CC[N@H+](Cc2cccc(OCc3ccccc3-c3nn[nH]n3)c2)C1 ZINC000824687946 609175692 /nfs/dbraw/zinc/17/56/92/609175692.db2.gz HOKPRQWHGNYMIG-NVXWUHKLSA-N 1 0 379.464 2.648 20 0 GFADRO C[C@H](Nc1ccc(N2CCC([NH+](C)C)CC2)cn1)c1cccc(-c2nn[nH]n2)c1 ZINC000824656829 609245299 /nfs/dbraw/zinc/24/52/99/609245299.db2.gz NIKBHQFRPUXRLR-HNNXBMFYSA-N 1 0 392.511 2.965 20 0 GFADRO COCC[N@H+](CCC(=O)c1ccc(F)cc1)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000826158094 609269277 /nfs/dbraw/zinc/26/92/77/609269277.db2.gz ZWQUFCVPIALECE-UHFFFAOYSA-N 1 0 383.427 2.727 20 0 GFADRO C[C@@H](NC(=S)Nc1ccccc1-c1nn[nH]n1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000824521223 609273711 /nfs/dbraw/zinc/27/37/11/609273711.db2.gz IGJGPCFVRNIKNR-KGLIPLIRSA-N 1 0 385.541 2.806 20 0 GFADRO O[C@@H](C[N@H+](Cc1ccccc1)Cc1ccccc1-c1nn[nH]n1)C(F)(F)F ZINC000826502490 609296334 /nfs/dbraw/zinc/29/63/34/609296334.db2.gz DWFILMQDDUKSJU-INIZCTEOSA-N 1 0 377.370 2.792 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824546239 609334012 /nfs/dbraw/zinc/33/40/12/609334012.db2.gz HSCHVKRHUFDIRT-WCQYABFASA-N 1 0 376.436 2.666 20 0 GFADRO CC(=O)Nc1cccc(OCC[NH2+][C@@H](C)c2ccc(-c3nn[nH]n3)cc2F)c1 ZINC000824005294 609340559 /nfs/dbraw/zinc/34/05/59/609340559.db2.gz MYUTWGCYOSSAPH-LBPRGKRZSA-N 1 0 384.415 2.694 20 0 GFADRO C[C@H]([NH2+]C[C@H](NC(=O)OC(C)(C)C)C1CC1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824570261 609345092 /nfs/dbraw/zinc/34/50/92/609345092.db2.gz MORLDWFETDZTRE-ZBEGNZNMSA-N 1 0 390.463 2.960 20 0 GFADRO COc1cccc([C@H]2[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)CCN2C2CC2)c1 ZINC000826215456 609346327 /nfs/dbraw/zinc/34/63/27/609346327.db2.gz PHJJBIYCLRUCEB-RTWAWAEBSA-N 1 0 390.491 2.943 20 0 GFADRO C[C@@H](NC(=O)Nc1ccc(-c2nn[nH]n2)c(C(F)(F)F)c1)C1=CC[N@H+](C)CC1 ZINC000824505245 609353006 /nfs/dbraw/zinc/35/30/06/609353006.db2.gz AGUVJKVHCIAZPH-SNVBAGLBSA-N 1 0 395.389 2.657 20 0 GFADRO Brc1cc(-c2nn[nH]n2)ccc1C[N@H+](C[C@@H]1CCOC1)C1CC1 ZINC000823821244 609358000 /nfs/dbraw/zinc/35/80/00/609358000.db2.gz QGKZTAOJXBEBEE-NSHDSACASA-N 1 0 378.274 2.630 20 0 GFADRO CC[C@H](O)[C@@H]1CCCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1Br ZINC000825154854 609361754 /nfs/dbraw/zinc/36/17/54/609361754.db2.gz UUCHYVNRDVIPTA-GJZGRUSLSA-N 1 0 380.290 2.755 20 0 GFADRO C[C@H]1CC[N@H+](CCC(=O)Nc2sc3c(c2-c2nn[nH]n2)CCCC3)C[C@@H]1F ZINC000824954437 609373730 /nfs/dbraw/zinc/37/37/30/609373730.db2.gz JZJDBAKLMYCGHX-AAEUAGOBSA-N 1 0 392.504 2.816 20 0 GFADRO C[C@H]1CN(C(=O)c2ccccc2Oc2ccccc2-c2nn[nH]n2)C[C@@H]1[NH+](C)C ZINC000824976280 609385242 /nfs/dbraw/zinc/38/52/42/609385242.db2.gz OBBFVTWFDVBNNE-YOEHRIQHSA-N 1 0 392.463 2.681 20 0 GFADRO C[C@H]1CN(C(=O)c2ccccc2Oc2ccccc2-c2nn[nH]n2)C[C@H]1[NH+](C)C ZINC000824976279 609385609 /nfs/dbraw/zinc/38/56/09/609385609.db2.gz OBBFVTWFDVBNNE-WMLDXEAASA-N 1 0 392.463 2.681 20 0 GFADRO Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000826294172 609415095 /nfs/dbraw/zinc/41/50/95/609415095.db2.gz LBAGAMYXOJRGJR-PMACEKPBSA-N 1 0 388.475 2.948 20 0 GFADRO O=C1[C@H]([NH2+]C[C@@H]2C[C@@H]2c2ccccc2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476156 609415626 /nfs/dbraw/zinc/41/56/26/609415626.db2.gz BSNUXXPMHHJHDC-DFQSSKMNSA-N 1 0 388.475 2.755 20 0 GFADRO O=C1[C@@H]([NH2+][C@@H]2CCc3c2cccc3F)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826477105 609415716 /nfs/dbraw/zinc/41/57/16/609415716.db2.gz VUUUGRUNSNUOKL-MOPGFXCFSA-N 1 0 392.438 2.778 20 0 GFADRO OC[C@@H]([NH2+]CCOc1ccccc1-c1nn[nH]n1)c1ccc(C(F)(F)F)cc1 ZINC000826508275 609429608 /nfs/dbraw/zinc/42/96/08/609429608.db2.gz KSLKUTFDZDBDMW-OAHLLOKOSA-N 1 0 393.369 2.588 20 0 GFADRO CC(C)[C@H]1C[C@@H](C[NH2+]C2CCN(c3ccc(-c4nn[nH]n4)cc3)CC2)CCO1 ZINC000824215317 609441260 /nfs/dbraw/zinc/44/12/60/609441260.db2.gz KYCGBXWOFFNUAY-OXJNMPFZSA-N 1 0 384.528 2.876 20 0 GFADRO CCc1ccc([C@H](CNc2nc3ccccn3c2-c2nn[nH]n2)[NH+](C)C)cc1 ZINC000825705015 609457057 /nfs/dbraw/zinc/45/70/57/609457057.db2.gz UESBCZQERBPKAC-INIZCTEOSA-N 1 0 376.468 2.792 20 0 GFADRO Cc1ccccc1C[N@@H+]1CCCN(c2nc3ccccn3c2-c2nn[nH]n2)CC1 ZINC000826307381 609462056 /nfs/dbraw/zinc/46/20/56/609462056.db2.gz GEBXKPXALVKHQM-UHFFFAOYSA-N 1 0 388.479 2.535 20 0 GFADRO Cc1c(Cl)cnc(N2CC[NH+](Cc3cccs3)CC2)c1-c1nn[nH]n1 ZINC000826238138 609522556 /nfs/dbraw/zinc/52/25/56/609522556.db2.gz XHKAPZNWGJKOGR-UHFFFAOYSA-N 1 0 375.889 2.607 20 0 GFADRO Cc1ccc(F)cc1C[NH2+][C@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000826289805 609600024 /nfs/dbraw/zinc/60/00/24/609600024.db2.gz OBOWVBRCPASOCV-SFHVURJKSA-N 1 0 380.427 2.599 20 0 GFADRO COc1cc(C)c(Br)cc1C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000509506771 650494888 /nfs/dbraw/zinc/49/48/88/650494888.db2.gz JONPYUFTMNQLIJ-UHFFFAOYSA-N 1 0 381.274 2.777 20 0 GFADRO Ic1ccc2ncnc(NCC[N@H+]3CC=CCC3)c2c1 ZINC000480825137 650633801 /nfs/dbraw/zinc/63/38/01/650633801.db2.gz FAMCQBXFSOMHBJ-UHFFFAOYSA-N 1 0 380.233 2.908 20 0 GFADRO CC(C)[N@H+]1C[C@H](NC(=O)Nc2cc3ccc(Br)cn3n2)[C@@H](C)C1 ZINC000482200571 650662058 /nfs/dbraw/zinc/66/20/58/650662058.db2.gz OXRVGUNKLGJHSV-FZMZJTMJSA-N 1 0 380.290 2.947 20 0 GFADRO Cc1nc(-c2ccc(Br)cc2)nn1CN(C)C[C@@H]1CCC[N@@H+]1C ZINC000817374406 660192286 /nfs/dbraw/zinc/19/22/86/660192286.db2.gz SHQBZELDOHGGTD-INIZCTEOSA-N 1 0 378.318 3.000 20 0 GFADRO Cc1nc(-c2ccc(Br)cc2)nn1CN(C)C[C@H]1CCC[N@@H+]1C ZINC000817374409 660192370 /nfs/dbraw/zinc/19/23/70/660192370.db2.gz SHQBZELDOHGGTD-MRXNPFEDSA-N 1 0 378.318 3.000 20 0 GFADRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)c1cc(=O)c2cc(Br)ccc2o1 ZINC000817496235 660198469 /nfs/dbraw/zinc/19/84/69/660198469.db2.gz SUALLVMUWWPFEZ-GFCCVEGCSA-N 1 0 379.254 2.722 20 0 GFADRO CS(=O)(=O)c1cc(C(=O)N[C@@H](CCC[NH3+])c2ccccc2)ccc1Cl ZINC000818004594 660213221 /nfs/dbraw/zinc/21/32/21/660213221.db2.gz HRPODRLLNOURKL-INIZCTEOSA-N 1 0 380.897 2.954 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)COc2ccc(C3SCCCS3)cc2)CCCO1 ZINC000818012203 660213708 /nfs/dbraw/zinc/21/37/08/660213708.db2.gz KHQKBJKQILIVHY-INIZCTEOSA-N 1 0 382.551 2.510 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000818019882 660213942 /nfs/dbraw/zinc/21/39/42/660213942.db2.gz KTZPPXARWASVBJ-GOSISDBHSA-N 1 0 389.297 2.911 20 0 GFADRO CN(C(=O)c1ncc(Br)cc1Br)C1CCC([NH3+])CC1 ZINC000818529073 660228225 /nfs/dbraw/zinc/22/82/25/660228225.db2.gz DBUUXMHOYCHPSK-UHFFFAOYSA-N 1 0 391.107 2.949 20 0 GFADRO CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)NC(CC)(CC)C[NH3+])c1 ZINC000818554552 660228380 /nfs/dbraw/zinc/22/83/80/660228380.db2.gz WFFZZASWHXUJRD-UHFFFAOYSA-N 1 0 389.949 2.618 20 0 GFADRO O[C@@H](C[NH2+]CCc1nnc2n1CCCCC2)c1cccc(Br)c1 ZINC000818946992 660236544 /nfs/dbraw/zinc/23/65/44/660236544.db2.gz ZIFIJNCAHGKJBX-HNNXBMFYSA-N 1 0 379.302 2.633 20 0 GFADRO CS(=O)(=O)NC1(C[NH2+]C[C@@H](O)c2ccc(Cl)cc2Cl)CCCCC1 ZINC000818946675 660236735 /nfs/dbraw/zinc/23/67/35/660236735.db2.gz SXEPGRXJGQEBNR-OAHLLOKOSA-N 1 0 395.352 2.869 20 0 GFADRO Cc1ccc(C(=O)NCC[NH2+]C[C@H](O)c2cccc(Br)c2)cc1F ZINC000818948288 660237226 /nfs/dbraw/zinc/23/72/26/660237226.db2.gz OQWJXPHQXKRCNG-KRWDZBQOSA-N 1 0 395.272 2.950 20 0 GFADRO O=C(CC[NH2+]CCS(=O)(=O)Cc1ccccc1)Nc1cccc(Cl)c1 ZINC000818976372 660240258 /nfs/dbraw/zinc/24/02/58/660240258.db2.gz BRAWODXBMMWPDD-UHFFFAOYSA-N 1 0 380.897 2.873 20 0 GFADRO COCCOc1ncccc1C[NH2+]C[C@@H](O)c1ccc(F)c(Br)c1 ZINC000818975620 660240519 /nfs/dbraw/zinc/24/05/19/660240519.db2.gz SEAJIIQGEVQWTN-MRXNPFEDSA-N 1 0 399.260 2.832 20 0 GFADRO O=S(=O)(CCC[NH2+]C[C@@H](O)c1cccc(Br)c1)c1ccccc1 ZINC000818981053 660240801 /nfs/dbraw/zinc/24/08/01/660240801.db2.gz NNGNWKPWOHJJBZ-QGZVFWFLSA-N 1 0 398.322 2.936 20 0 GFADRO O=C1C[C@H]([NH2+]C[C@H](O)c2ccccc2Br)CN1c1ccccc1 ZINC000818979574 660241028 /nfs/dbraw/zinc/24/10/28/660241028.db2.gz QGJXEFDPPGTCTI-GUYCJALGSA-N 1 0 375.266 2.878 20 0 GFADRO CC(C)(C)OC(=O)NCC[NH2+]C[C@@H](O)COc1cc(Cl)ccc1Cl ZINC000818982693 660241308 /nfs/dbraw/zinc/24/13/08/660241308.db2.gz QCRZYXNWLNGLEM-GFCCVEGCSA-N 1 0 379.284 2.847 20 0 GFADRO O[C@H](C[NH2+][C@H]1CCN(c2ccc(Br)cc2)C1)c1ccc(F)cn1 ZINC000819015504 660243282 /nfs/dbraw/zinc/24/32/82/660243282.db2.gz IGSMUUURDMUVMF-WMLDXEAASA-N 1 0 380.261 2.885 20 0 GFADRO CC(C)(C)OC(=O)NC[C@](C)(O)C[NH2+]Cc1ccc(Br)cc1F ZINC000819053800 660244747 /nfs/dbraw/zinc/24/47/47/660244747.db2.gz LGILUVFTJGAEQL-MRXNPFEDSA-N 1 0 391.281 2.954 20 0 GFADRO C[C@@H](OC[C@@H](O)C[NH2+]CCS(=O)(=O)C(C)(C)C)c1ccc(Cl)cc1 ZINC000819060337 660244885 /nfs/dbraw/zinc/24/48/85/660244885.db2.gz IBCDYYMJCNRVFY-CJNGLKHVSA-N 1 0 377.934 2.581 20 0 GFADRO O[C@@H](C[NH2+]C1CCN(C[C@H]2CCCO2)CC1)c1ccc(Br)cc1 ZINC000819062303 660245010 /nfs/dbraw/zinc/24/50/10/660245010.db2.gz PPWYETNSQFVASD-MSOLQXFVSA-N 1 0 383.330 2.716 20 0 GFADRO O=S(=O)(CC[NH2+]C[C@H]1CSCCS1)c1cccc(Br)c1 ZINC000819142796 660247757 /nfs/dbraw/zinc/24/77/57/660247757.db2.gz WFJPMLUFQWYZOW-LBPRGKRZSA-N 1 0 396.397 2.661 20 0 GFADRO O[C@H](C[NH2+][C@H]1CCN(c2ncccc2F)C1)c1ccc(Br)cc1 ZINC000819150726 660248161 /nfs/dbraw/zinc/24/81/61/660248161.db2.gz UZBOICYYSAPYHV-GOEBONIOSA-N 1 0 380.261 2.885 20 0 GFADRO O[C@H](C[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1ccccc1Br ZINC000819175488 660248686 /nfs/dbraw/zinc/24/86/86/660248686.db2.gz YNKIBJGLAHCTSQ-GBESFXJTSA-N 1 0 397.357 2.840 20 0 GFADRO O=C1[C@@H]([NH2+]C[C@@H](O)c2ccccc2Br)CCCN1CC(F)(F)F ZINC000819182296 660249225 /nfs/dbraw/zinc/24/92/25/660249225.db2.gz LNPJOWFPEXHGLD-QWHCGFSZSA-N 1 0 395.219 2.625 20 0 GFADRO Cc1cc(Br)cn2cc(CC[NH2+]C[C@H](O)c3ccc(F)cn3)nc12 ZINC000819230094 660251219 /nfs/dbraw/zinc/25/12/19/660251219.db2.gz UXSCEFYYERFMHF-INIZCTEOSA-N 1 0 393.260 2.805 20 0 GFADRO O=C1[C@H]([NH2+]C[C@@H](O)c2cccc(Br)c2)CCCN1c1cccnc1 ZINC000819224319 660250775 /nfs/dbraw/zinc/25/07/75/660250775.db2.gz BSNHVRNLEXOASM-IAGOWNOFSA-N 1 0 390.281 2.663 20 0 GFADRO CCOC(=O)c1csc(CC[NH2+]C[C@@H](O)c2cccc(Br)c2)n1 ZINC000819256692 660252382 /nfs/dbraw/zinc/25/23/82/660252382.db2.gz OLGPDYPXWOFWJE-CQSZACIVSA-N 1 0 399.310 2.948 20 0 GFADRO CCC[C@H](C)C(=O)NCC[NH2+]C[C@@H](O)c1ccc(F)c(Br)c1 ZINC000819329188 660255063 /nfs/dbraw/zinc/25/50/63/660255063.db2.gz HILLERGVZQGODH-XHDPSFHLSA-N 1 0 375.282 2.764 20 0 GFADRO CC(C)(C)OC(=O)NC[C@@](C)(O)C[NH2+]CCOc1ccc(Cl)c(F)c1 ZINC000819345425 660255947 /nfs/dbraw/zinc/25/59/47/660255947.db2.gz FLMJLIKYANHYPI-KRWDZBQOSA-N 1 0 376.856 2.723 20 0 GFADRO Cc1cc(N2CCC([NH2+]C[C@@H](O)c3ccc(F)c(Br)c3)CC2)n[nH]1 ZINC000819252997 660252170 /nfs/dbraw/zinc/25/21/70/660252170.db2.gz AAJVVKXGJQLAMB-MRXNPFEDSA-N 1 0 397.292 2.912 20 0 GFADRO Brc1ccc(C[NH2+]CCOc2ccc(-c3nn[nH]n3)cc2)s1 ZINC000819687995 660267160 /nfs/dbraw/zinc/26/71/60/660267160.db2.gz AQKCKVBKDCYDHH-UHFFFAOYSA-N 1 0 380.271 2.859 20 0 GFADRO Brc1cc(C[NH2+]Cc2cc(-c3nn[nH]n3)cs2)cc2c1OCO2 ZINC000819689110 660267189 /nfs/dbraw/zinc/26/71/89/660267189.db2.gz VADFABRZRMEPKS-UHFFFAOYSA-N 1 0 394.254 2.709 20 0 GFADRO CN(C)c1nn(CN2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)c(=S)s1 ZINC000819896611 660272862 /nfs/dbraw/zinc/27/28/62/660272862.db2.gz GLURGVXAAKVNLA-JKSUJKDBSA-N 1 0 375.567 2.904 20 0 GFADRO C[NH+](C)CCN(Cc1cccs1)C(=O)c1cc(N)nc(Br)c1 ZINC000820700889 660303020 /nfs/dbraw/zinc/30/30/20/660303020.db2.gz OAQYRWOHTLAFGJ-UHFFFAOYSA-N 1 0 383.315 2.692 20 0 GFADRO CC[C@@H](C)[N@H+](C)CCNS(=O)(=O)c1ccc2c(c1)CC(Cl)(Cl)C2=O ZINC000820790624 660306288 /nfs/dbraw/zinc/30/62/88/660306288.db2.gz PFRYNCKICWWTEQ-LLVKDONJSA-N 1 0 393.336 2.608 20 0 GFADRO OCCC[N@H+](CCn1cnc(Br)n1)[C@H]1CCCc2ccccc21 ZINC000821387323 660324065 /nfs/dbraw/zinc/32/40/65/660324065.db2.gz RQISSAXSHQUQIH-INIZCTEOSA-N 1 0 379.302 2.803 20 0 GFADRO CCN(C(=O)c1cc2cc(Br)cnc2n1C)C1CC[NH+](C)CC1 ZINC000821401866 660324666 /nfs/dbraw/zinc/32/46/66/660324666.db2.gz ZSPYXYQTQCIASF-UHFFFAOYSA-N 1 0 379.302 2.892 20 0 GFADRO C[NH+]1CCC(OCC(=O)N2CC[C@@H](c3cccc(Br)c3)C2)CC1 ZINC000821467471 660327082 /nfs/dbraw/zinc/32/70/82/660327082.db2.gz LMCBXDMUZKSDKM-OAHLLOKOSA-N 1 0 381.314 2.876 20 0 GFADRO C[C@@H]1CCC[N@H+](CCNC(=O)[C@@]2(C)CC2(Br)Br)C1 ZINC000822103234 660340415 /nfs/dbraw/zinc/34/04/15/660340415.db2.gz RVPKWUXXWYGXKL-ZYHUDNBSSA-N 1 0 382.140 2.731 20 0 GFADRO CS(=O)(=O)N(CC(F)(F)F)C1CC[NH+](CC[C@@H]2CC2(Cl)Cl)CC1 ZINC000822621095 660350189 /nfs/dbraw/zinc/35/01/89/660350189.db2.gz FCHBXFOCUCRXRF-SNVBAGLBSA-N 1 0 397.290 2.859 20 0 GFADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)C(F)(F)c1ccccc1Br ZINC000822880210 660356438 /nfs/dbraw/zinc/35/64/38/660356438.db2.gz ZLLMEPJDPSUYBS-VXGBXAGGSA-N 1 0 389.240 2.520 20 0 GFADRO CCC[N@@H+]1CC[C@H](NC(=O)N(C)C[C@@H](O)c2ccccc2Br)C1 ZINC000823044817 660360397 /nfs/dbraw/zinc/36/03/97/660360397.db2.gz LBMWCNWFHBGROR-XJKSGUPXSA-N 1 0 384.318 2.608 20 0 GFADRO Cc1ccc(Br)c(C(=O)N2CCC(C[N@@H+](CCO)C(C)C)CC2)n1 ZINC000822897836 660357138 /nfs/dbraw/zinc/35/71/38/660357138.db2.gz XTJSAGWQPVGEIS-UHFFFAOYSA-N 1 0 398.345 2.707 20 0 GFADRO C[NH+](C)C[C@@H](NC(=O)c1cc(N)nc(Br)c1)c1ccc(F)cc1 ZINC000822940064 660358559 /nfs/dbraw/zinc/35/85/59/660358559.db2.gz VJXJQQPDMFPAID-CYBMUJFWSA-N 1 0 381.249 2.598 20 0 GFADRO COc1ccc(Cc2noc([C@@H]3C[C@@]34CC[NH2+]C4)n2)c(Br)c1OC ZINC000822947718 660358705 /nfs/dbraw/zinc/35/87/05/660358705.db2.gz ZBGJSJSKQAJWNU-APPDUMDISA-N 1 0 394.269 2.907 20 0 GFADRO Fc1cccc(Cc2noc(C[C@@H]3CC[NH2+]C3)n2)c1I ZINC000822981062 660359326 /nfs/dbraw/zinc/35/93/26/660359326.db2.gz UTDCNMVKRUYASI-VIFPVBQESA-N 1 0 387.196 2.556 20 0 GFADRO C[C@@H](C[NH3+])c1nc(C(C)(C)S(=O)(=O)c2ccc(Br)cc2)no1 ZINC000823012616 660359822 /nfs/dbraw/zinc/35/98/22/660359822.db2.gz XJEXEFQYEJTVMB-VIFPVBQESA-N 1 0 388.287 2.603 20 0 GFADRO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1csc(I)n1 ZINC000823018176 660359907 /nfs/dbraw/zinc/35/99/07/660359907.db2.gz VBWAMAPWQWJLDO-SNVBAGLBSA-N 1 0 395.310 2.988 20 0 GFADRO CC(C)[C@@H](c1nc(CNC(=O)c2ccc(Br)cc2)no1)[C@@H](C)[NH3+] ZINC000823200431 660364766 /nfs/dbraw/zinc/36/47/66/660364766.db2.gz VKFUBJKRKGZBKJ-QMTHXVAHSA-N 1 0 381.274 2.849 20 0 GFADRO FC(F)(F)Oc1cc(-c2nc(N3CC[NH2+]CC3)no2)ccc1Br ZINC000823304396 660367901 /nfs/dbraw/zinc/36/79/01/660367901.db2.gz VENGPWREOCYIRX-UHFFFAOYSA-N 1 0 393.163 2.807 20 0 GFADRO O=C(C[C@H]1C(=O)Nc2ccc(Br)cc21)N[C@H]1C[C@@H]([NH+]2CCCC2)C1 ZINC000823646555 660377417 /nfs/dbraw/zinc/37/74/17/660377417.db2.gz BXFXNLLNAWMEJX-VNHYZAJKSA-N 1 0 392.297 2.618 20 0 GFADRO Brc1cc(-c2nn[nH]n2)ccc1C[NH+]1CCC([C@H]2CCOC2)CC1 ZINC000823820144 660380760 /nfs/dbraw/zinc/38/07/60/660380760.db2.gz AJGXPAYQFTYTLE-HNNXBMFYSA-N 1 0 392.301 2.878 20 0 GFADRO CC[NH+]1CCN(c2ccc(NC(=O)c3cc(Br)n(C)n3)cc2)CC1 ZINC000823882271 660382442 /nfs/dbraw/zinc/38/24/42/660382442.db2.gz KTYQZFJAWKJZGT-UHFFFAOYSA-N 1 0 392.301 2.577 20 0 GFADRO CC(C)[N@@H+]1CC[C@H](CNC(=O)c2ccc(C(F)(F)Br)nc2)C1 ZINC000824295837 660389089 /nfs/dbraw/zinc/38/90/89/660389089.db2.gz SAFBFALPRSLRGQ-LLVKDONJSA-N 1 0 376.245 2.986 20 0 GFADRO C[C@@H](CCCNC(=O)OC(C)(C)C)[NH2+]Cc1cc(Br)nn1C ZINC000824500888 660394694 /nfs/dbraw/zinc/39/46/94/660394694.db2.gz ADFOMLCLZAFKLL-NSHDSACASA-N 1 0 375.311 2.966 20 0 GFADRO Cn1c(Cl)cnc1-c1csc(NC(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)n1 ZINC000824515842 660395479 /nfs/dbraw/zinc/39/54/79/660395479.db2.gz OIFSGYJNGOFEEQ-CMPLNLGQSA-N 1 0 380.905 2.945 20 0 GFADRO Cn1nc(C(F)(F)F)c(C[NH2+]C2CCC(CS(C)(=O)=O)CC2)c1Cl ZINC000824533958 660396272 /nfs/dbraw/zinc/39/62/72/660396272.db2.gz UPICQFQTUVHDBO-UHFFFAOYSA-N 1 0 387.855 2.785 20 0 GFADRO CC(C)(C)OC(=O)N1CCCO[C@H](C[NH2+][C@@H]2CC[C@@H]3SCCS[C@@H]23)C1 ZINC000825168645 660413141 /nfs/dbraw/zinc/41/31/41/660413141.db2.gz MUOIKGIOGGUEMX-WCVJEAGWSA-N 1 0 388.599 2.982 20 0 GFADRO CS(=O)(=O)c1cccc(C[NH2+]C[C@@H](O)c2ccccc2Br)c1 ZINC000825343040 660421623 /nfs/dbraw/zinc/42/16/23/660421623.db2.gz HWVGFJFKGOREPP-MRXNPFEDSA-N 1 0 384.295 2.676 20 0 GFADRO OCCCC1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2Br)CC1 ZINC000826509066 660455948 /nfs/dbraw/zinc/45/59/48/660455948.db2.gz KOJQIRMOPANMIG-UHFFFAOYSA-N 1 0 380.290 2.614 20 0 GFADRO O=C(c1cnnn1-c1cccc(Cl)c1Cl)N1CCC([NH+]2CCC2)CC1 ZINC000826935746 660472363 /nfs/dbraw/zinc/47/23/63/660472363.db2.gz CNAGZIHMDQVFCH-UHFFFAOYSA-N 1 0 380.279 2.884 20 0 GFADRO O=C(c1c(Br)nc2n1CCC2)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000827149061 660481438 /nfs/dbraw/zinc/48/14/38/660481438.db2.gz UTRFYBQKMFRTLK-GXTWGEPZSA-N 1 0 393.329 2.681 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc4cncc(Br)c4n3)CC[C@H]21 ZINC000827219389 660485039 /nfs/dbraw/zinc/48/50/39/660485039.db2.gz NXHSFOOVHFVZDV-IUODEOHRSA-N 1 0 375.270 2.559 20 0 GFADRO CN(C)c1nc(Cl)c(C(=O)N(CC[NH+](C)C)Cc2cccc(O)c2)s1 ZINC000827297851 660488228 /nfs/dbraw/zinc/48/82/28/660488228.db2.gz FJJVENVBISDYBQ-UHFFFAOYSA-N 1 0 382.917 2.772 20 0 GFADRO Cc1cc(Br)c2c(c1)CCN(C(=O)COC1CC[NH+](C)CC1)C2 ZINC000827813928 660517514 /nfs/dbraw/zinc/51/75/14/660517514.db2.gz OQKPAQDNCXWYGA-UHFFFAOYSA-N 1 0 381.314 2.753 20 0 GFADRO CC(C)[NH+]1CCC(CCNC(=O)C2(n3cc(Br)cn3)CC2)CC1 ZINC000828234236 660540843 /nfs/dbraw/zinc/54/08/43/660540843.db2.gz OGSABDRTXHSCJY-UHFFFAOYSA-N 1 0 383.334 2.761 20 0 GFADRO Cn1c(C(=O)N2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)cc2cc(Br)cnc21 ZINC000828512084 660553532 /nfs/dbraw/zinc/55/35/32/660553532.db2.gz PWZFIBGTDUVVIG-FZMZJTMJSA-N 1 0 377.286 2.502 20 0 GFADRO C[C@@]1(C(=O)N[C@H]2[C@H]3CCC[NH2+][C@H]3C2(C)C)CC1(Br)Br ZINC000864089913 662354240 /nfs/dbraw/zinc/35/42/40/662354240.db2.gz VKCYKRNJBQBLES-WJZNIJOASA-N 1 0 394.151 2.775 20 0 GFADRO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)C[C@H]1C(=O)Nc2ccc(Br)cc21 ZINC000828958713 660576820 /nfs/dbraw/zinc/57/68/20/660576820.db2.gz IMTBFQYXPFIVLS-FVQBIDKESA-N 1 0 392.297 2.570 20 0 GFADRO CN(CC[NH+]1CC2(C1)CCOCC2)C(=O)CCc1ccc(Br)cc1 ZINC000829266764 660586886 /nfs/dbraw/zinc/58/68/86/660586886.db2.gz MWEBNNKJPCKPRJ-UHFFFAOYSA-N 1 0 395.341 2.953 20 0 GFADRO CN(CC[NH+]1CC2(C1)CCOCC2)C(=O)c1c(F)cccc1Br ZINC000829266160 660587087 /nfs/dbraw/zinc/58/70/87/660587087.db2.gz HFFHZIRPHXOKPK-UHFFFAOYSA-N 1 0 385.277 2.773 20 0 GFADRO C[N@H+](C[C@@]1(O)CCc2ccccc21)[C@@H](C(N)=O)c1ccc(Br)cc1 ZINC000829365593 660590154 /nfs/dbraw/zinc/59/01/54/660590154.db2.gz IWSCJUSEKJLVRO-MJGOQNOKSA-N 1 0 389.293 2.741 20 0 GFADRO CC1=C(Br)CN(CCCON2C(=O)c3ccccc3C2=O)CC1 ZINC000829398029 660591162 /nfs/dbraw/zinc/59/11/62/660591162.db2.gz VEHDVYDSNFFYPW-UHFFFAOYSA-N 1 0 379.254 2.979 20 0 GFADRO CN(C(=O)c1cc(Br)n[nH]1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000829467966 660593756 /nfs/dbraw/zinc/59/37/56/660593756.db2.gz RXKKPOVLJAMRQD-CQSZACIVSA-N 1 0 377.286 2.909 20 0 GFADRO Cc1cc(NC(=O)C2CC[NH+]([C@H]3CCSC3)CC2)cc(S(C)(=O)=O)c1 ZINC000829651309 660605436 /nfs/dbraw/zinc/60/54/36/660605436.db2.gz IDFZTZOLTVEVMA-INIZCTEOSA-N 1 0 382.551 2.555 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)c2cc(Br)cc3[nH]c(=O)[nH]c32)C1 ZINC000829703344 660608475 /nfs/dbraw/zinc/60/84/75/660608475.db2.gz DPMYDZGXKKDFDB-WDEREUQCSA-N 1 0 381.274 2.634 20 0 GFADRO O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)c1c(Cl)nc2cc(Cl)ccn21 ZINC000830155478 660638599 /nfs/dbraw/zinc/63/85/99/660638599.db2.gz LASDMKJKALSXQB-ZDUSSCGKSA-N 1 0 383.279 2.624 20 0 GFADRO C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)C[C@@H]([NH3+])C2CC2)CC1 ZINC000830580193 660665148 /nfs/dbraw/zinc/66/51/48/660665148.db2.gz PZYGDSMMXIFHQK-CXAGYDPISA-N 1 0 380.330 2.782 20 0 GFADRO C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)C[C@@H]([NH3+])C2CC2)CC1 ZINC000830580206 660665492 /nfs/dbraw/zinc/66/54/92/660665492.db2.gz PZYGDSMMXIFHQK-SUMWQHHRSA-N 1 0 380.330 2.782 20 0 GFADRO Cc1ccc(S(=O)(=O)N(CCC[NH3+])CC(F)(F)F)c(Br)c1 ZINC000883470394 663055593 /nfs/dbraw/zinc/05/55/93/663055593.db2.gz ULAMOBHIYHAPTF-UHFFFAOYSA-N 1 0 389.237 2.659 20 0 GFADRO Cn1nc(C(=O)Nc2cccc3c2OCC[C@@H]3[NH+](C)C)cc1Br ZINC000830818316 660681668 /nfs/dbraw/zinc/68/16/68/660681668.db2.gz OBMOLAAAVKXWCY-ZDUSSCGKSA-N 1 0 379.258 2.820 20 0 GFADRO C[C@@H](NC(=O)C[C@H]([NH3+])C1CC1)c1nc(-c2ccc(Br)cc2)no1 ZINC000831337419 660708462 /nfs/dbraw/zinc/70/84/62/660708462.db2.gz UNTMPFDJRBCUEB-RNCFNFMXSA-N 1 0 379.258 2.804 20 0 GFADRO CCS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000831726521 660722952 /nfs/dbraw/zinc/72/29/52/660722952.db2.gz CWMODQQRCOFTMM-ZIAGYGMSSA-N 1 0 384.929 2.595 20 0 GFADRO CCO[C@H](CNC(=O)Cc1c[nH]c2cccc(Br)c12)C[NH+](C)C ZINC000831737705 660723647 /nfs/dbraw/zinc/72/36/47/660723647.db2.gz KRSGOFZDQDVKFF-CYBMUJFWSA-N 1 0 382.302 2.556 20 0 GFADRO C[NH+](C)CCn1ccc(NCc2ccc(I)s2)n1 ZINC000602568988 653191719 /nfs/dbraw/zinc/19/17/19/653191719.db2.gz QCGHBZAZANKPQS-UHFFFAOYSA-N 1 0 376.267 2.723 20 0 GFADRO C[C@@H](NC(=O)c1cc(Br)n[nH]1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000831828873 660730334 /nfs/dbraw/zinc/73/03/34/660730334.db2.gz RZXAPHDKCHFGKI-TZMCWYRMSA-N 1 0 377.286 2.813 20 0 GFADRO C[C@@H](CCNC(=O)c1csc(I)n1)[NH+]1CCCCC1 ZINC000832115250 660755443 /nfs/dbraw/zinc/75/54/43/660755443.db2.gz QTGLFCVSAKXRGS-JTQLQIEISA-N 1 0 393.294 2.742 20 0 GFADRO C[NH+](C)CCc1ccc(C(=O)NCC2(n3cc(Br)cn3)CC2)cc1 ZINC000832252018 660769101 /nfs/dbraw/zinc/76/91/01/660769101.db2.gz WWCRIKFPBUEPPC-UHFFFAOYSA-N 1 0 391.313 2.669 20 0 GFADRO CCO[C@@H]1COC[C@H]1[NH2+]C[C@](C)(O)c1ccc(Br)cc1Cl ZINC000832455844 660781063 /nfs/dbraw/zinc/78/10/63/660781063.db2.gz QQDWHRVFBGAHTG-KFWWJZLASA-N 1 0 378.694 2.704 20 0 GFADRO CSc1ccc([C@H](CNC(=O)c2cc(Br)n(C)n2)[NH+](C)C)cc1 ZINC000832933084 660803656 /nfs/dbraw/zinc/80/36/56/660803656.db2.gz KQFMWVYOERBRBF-AWEZNQCLSA-N 1 0 397.342 2.937 20 0 GFADRO C[C@](O)(C[NH2+]CCCOC[C@H]1CCCO1)c1ccc(Br)cc1F ZINC000834357313 660816091 /nfs/dbraw/zinc/81/60/91/660816091.db2.gz LGNGBJYUVWWIPN-PBHICJAKSA-N 1 0 390.293 2.971 20 0 GFADRO C[C@@H]([NH2+]C[C@@]1(N2CCOCC2)CCSC1)c1nc(Br)cs1 ZINC000834534038 660823606 /nfs/dbraw/zinc/82/36/06/660823606.db2.gz DGCXYEXFAUIWCX-RISCZKNCSA-N 1 0 392.388 2.764 20 0 GFADRO CC1([NH+]2CCC2)CCC(NC(=O)Cc2cc[nH]c(=O)c2Br)CC1 ZINC000834782970 660832943 /nfs/dbraw/zinc/83/29/43/660832943.db2.gz CPVKXZHVEVGEQV-UHFFFAOYSA-N 1 0 382.302 2.615 20 0 GFADRO Cc1c(Br)cc(C(=O)NC2CCC(C)([NH+]3CCC3)CC2)c(=O)n1C ZINC000834782851 660832962 /nfs/dbraw/zinc/83/29/62/660832962.db2.gz ARFLDVJZMJFPMV-UHFFFAOYSA-N 1 0 396.329 2.593 20 0 GFADRO C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+]Cc1cccc(S(C)(=O)=O)c1 ZINC000834883985 660836875 /nfs/dbraw/zinc/83/68/75/660836875.db2.gz TWJYMGFSIYOVGW-GFCCVEGCSA-N 1 0 381.885 2.645 20 0 GFADRO CC[C@H]([NH2+]CCS(=O)(=O)C1CCOCC1)c1ccccc1OC(F)F ZINC000834887828 660837172 /nfs/dbraw/zinc/83/71/72/660837172.db2.gz WVHOGMMFNBKRER-HNNXBMFYSA-N 1 0 377.453 2.923 20 0 GFADRO CSC[C@@](C)(O)C[NH2+]Cc1nc2c(s1)CN(C(=O)OC(C)(C)C)CC2 ZINC000835040875 660839269 /nfs/dbraw/zinc/83/92/69/660839269.db2.gz SQTDYLIYWFHQFS-KRWDZBQOSA-N 1 0 387.571 2.640 20 0 GFADRO C[C@@H](CC[NH2+]Cc1nc2c(s1)CN(C(=O)OC(C)(C)C)CC2)[S@@](C)=O ZINC000835045300 660839436 /nfs/dbraw/zinc/83/94/36/660839436.db2.gz UIBHQGYNKZBICS-UOXLDJKESA-N 1 0 387.571 2.683 20 0 GFADRO C[C@H](CC[NH2+]Cc1nc2c(s1)CN(C(=O)OC(C)(C)C)CC2)[S@](C)=O ZINC000835045303 660839458 /nfs/dbraw/zinc/83/94/58/660839458.db2.gz UIBHQGYNKZBICS-YDBLSZJJSA-N 1 0 387.571 2.683 20 0 GFADRO O=C(NC[C@H](O)c1ccccc1Br)NC1CC([NH+]2CCCCC2)C1 ZINC000836439837 660905816 /nfs/dbraw/zinc/90/58/16/660905816.db2.gz ZWCVNNOOWKMJDN-KVULBXGLSA-N 1 0 396.329 2.799 20 0 GFADRO C[C@]1(CNC(=O)N2CCC(OCC[NH+]3CCCC3)CC2)CC1(Cl)Cl ZINC000836585512 660917272 /nfs/dbraw/zinc/91/72/72/660917272.db2.gz IPDOTZZAZYXHLN-MRXNPFEDSA-N 1 0 378.344 2.857 20 0 GFADRO O=Cc1ccc(OCC(=O)NC2CC[NH+](C3CCC3)CC2)c(Br)c1 ZINC000837040630 660967318 /nfs/dbraw/zinc/96/73/18/660967318.db2.gz GOQYYLPZXVEDCK-UHFFFAOYSA-N 1 0 395.297 2.774 20 0 GFADRO CC[NH+](CC)Cc1cccc(NC(=O)CNS(=O)(=O)c2cccs2)c1 ZINC000024928110 654546135 /nfs/dbraw/zinc/54/61/35/654546135.db2.gz RHQYKLGJGUCRMT-UHFFFAOYSA-N 1 0 381.523 2.507 20 0 GFADRO C[NH+](C)Cc1cccc(CNS(=O)(=O)c2ccccc2Br)c1 ZINC000026854442 654559943 /nfs/dbraw/zinc/55/99/43/654559943.db2.gz YNKCCZHATXQFNT-UHFFFAOYSA-N 1 0 383.311 2.989 20 0 GFADRO O=C(NC1CC[NH+](C[C@@H](O)COc2c(Cl)cccc2Cl)CC1)C1CC1 ZINC000030285008 654584612 /nfs/dbraw/zinc/58/46/12/654584612.db2.gz UZGACUMRVDBUGC-CQSZACIVSA-N 1 0 387.307 2.724 20 0 GFADRO CCCS(=O)(=O)N1CCC([NH2+]Cc2ccccc2Br)CC1 ZINC000037142937 654614259 /nfs/dbraw/zinc/61/42/59/654614259.db2.gz OHPJLZGNTRBDDZ-UHFFFAOYSA-N 1 0 375.332 2.743 20 0 GFADRO CC(C)(C[NH+]1CCCC1)NC(=O)c1cn(-c2ccccc2Br)nn1 ZINC000837171984 660975418 /nfs/dbraw/zinc/97/54/18/660975418.db2.gz JFYHSKLSONORBA-UHFFFAOYSA-N 1 0 392.301 2.634 20 0 GFADRO Cc1cc(NC(=O)C(=O)NCC[N@H+]2CCC[C@H](C)C2)ccc1Br ZINC000041669173 654629286 /nfs/dbraw/zinc/62/92/86/654629286.db2.gz YDSIMADDZGXKTO-LBPRGKRZSA-N 1 0 382.302 2.544 20 0 GFADRO O=S(=O)(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc(OC(F)F)c(Cl)c1 ZINC000046036512 654674058 /nfs/dbraw/zinc/67/40/58/654674058.db2.gz GEBHEOVIJUNCDB-CHWSQXEVSA-N 1 0 380.844 2.847 20 0 GFADRO C[NH+](C)C1(CNC(=O)c2c(Br)nc3n2CCCC3)CCCCC1 ZINC000837314802 660985789 /nfs/dbraw/zinc/98/57/89/660985789.db2.gz XMQPNSYEASCAHM-UHFFFAOYSA-N 1 0 383.334 2.976 20 0 GFADRO CC(C)[NH+](CCNC(=O)NC[C@@H](O)c1ccccc1Br)C(C)C ZINC000837332725 660987019 /nfs/dbraw/zinc/98/70/19/660987019.db2.gz ALRMSSPLRACQKB-MRXNPFEDSA-N 1 0 386.334 2.901 20 0 GFADRO CC1CC[NH+](CCNC(=O)/C=C/c2ccc(I)o2)CC1 ZINC000046956713 654688249 /nfs/dbraw/zinc/68/82/49/654688249.db2.gz IDPBJECAMVISFU-HWKANZROSA-N 1 0 388.249 2.746 20 0 GFADRO CC[NH+]1CCN([C@@H](C)CNC(=O)c2sc(-c3cccs3)nc2C)CC1 ZINC000046947660 654688250 /nfs/dbraw/zinc/68/82/50/654688250.db2.gz BIYVKTRMGNCMCM-ZDUSSCGKSA-N 1 0 378.567 2.936 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1CCNC(=O)CCNC(=O)c1ccc(Br)cc1 ZINC000047145206 654690798 /nfs/dbraw/zinc/69/07/98/654690798.db2.gz HRLFFRMVKNIMCW-CQSZACIVSA-N 1 0 396.329 2.560 20 0 GFADRO CCC[NH+]1CCC(N(C)C(=O)c2c(Br)nc3n2CCCC3)CC1 ZINC000837361627 660989215 /nfs/dbraw/zinc/98/92/15/660989215.db2.gz UILXAMPQEJJALQ-UHFFFAOYSA-N 1 0 383.334 2.928 20 0 GFADRO Cc1cccc(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)c1I ZINC000048238051 654704010 /nfs/dbraw/zinc/70/40/10/654704010.db2.gz MKDIXBXOYQBFBW-ZIAGYGMSSA-N 1 0 384.261 2.956 20 0 GFADRO O=C(CCCOc1ccccc1Br)NCCCC[NH+]1CCOCC1 ZINC000048285882 654704485 /nfs/dbraw/zinc/70/44/85/654704485.db2.gz VMDSQFGAGPIRLD-UHFFFAOYSA-N 1 0 399.329 2.837 20 0 GFADRO O=C(NCCC[NH+]1CCCCC1)NC[C@@H](O)c1ccccc1Br ZINC000837389291 660992193 /nfs/dbraw/zinc/99/21/93/660992193.db2.gz YTKSYIGCWALMSC-MRXNPFEDSA-N 1 0 384.318 2.658 20 0 GFADRO O=C(NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1)NC[C@H](O)C(F)(F)F ZINC000048740909 654712517 /nfs/dbraw/zinc/71/25/17/654712517.db2.gz HRVWPOONQJGMDN-KBPBESRZSA-N 1 0 379.810 2.699 20 0 GFADRO O=[N+]([O-])c1ccc([C@@H](O)[C@@H](CO)[NH2+]Cc2csc(Br)c2)cc1 ZINC000122220207 654731718 /nfs/dbraw/zinc/73/17/18/654731718.db2.gz GIHGMPJLUFDRIW-TZMCWYRMSA-N 1 0 387.255 2.603 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)c1ccn(-c2cccc(Br)c2)n1 ZINC000122295205 654732618 /nfs/dbraw/zinc/73/26/18/654732618.db2.gz SMWYAJOSDYSXCF-WBMJQRKESA-N 1 0 377.286 2.977 20 0 GFADRO C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)N1CC[NH+](CC2CC2)CC1 ZINC000052165401 654733606 /nfs/dbraw/zinc/73/36/06/654733606.db2.gz SZJQQMBTGYJETH-HNNXBMFYSA-N 1 0 394.357 2.824 20 0 GFADRO O=C(CCN1CC[NH+](CC2CC2)CC1)Nc1ccc(Br)cc1F ZINC000052165586 654733613 /nfs/dbraw/zinc/73/36/13/654733613.db2.gz XYTANJOKEIADOE-UHFFFAOYSA-N 1 0 384.293 2.944 20 0 GFADRO C[N@@H+]1CCC[C@@H]2CN(S(=O)(=O)c3cc(Br)ccc3F)CC[C@@H]21 ZINC000122353989 654735255 /nfs/dbraw/zinc/73/52/55/654735255.db2.gz DWGRVLKANPEZTB-RISCZKNCSA-N 1 0 391.306 2.693 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2c(Br)nc3n2CCCC3)[C@@H](C)C1 ZINC000837435945 660996854 /nfs/dbraw/zinc/99/68/54/660996854.db2.gz YLYQXEPVXVSCDY-QWHCGFSZSA-N 1 0 383.334 2.784 20 0 GFADRO COc1c(Br)cc(Cl)cc1S(=O)(=O)N(C)CC(C)(C)C[NH3+] ZINC000122397372 654735785 /nfs/dbraw/zinc/73/57/85/654735785.db2.gz GLHNCJCNDZZVLI-UHFFFAOYSA-N 1 0 399.738 2.717 20 0 GFADRO CC(C)CN(C(=O)CCn1cc(Br)ccc1=O)C1CC[NH+](C)CC1 ZINC000053232700 654742691 /nfs/dbraw/zinc/74/26/91/654742691.db2.gz VSDMWFCHNCPEEK-UHFFFAOYSA-N 1 0 398.345 2.580 20 0 GFADRO C[C@H](CS(=O)(=O)c1ccccc1)[NH2+]CCNC(=O)c1ccccc1Cl ZINC000122932813 654747516 /nfs/dbraw/zinc/74/75/16/654747516.db2.gz UVHWQHKZYJQMFP-CQSZACIVSA-N 1 0 380.897 2.522 20 0 GFADRO CN(C)[C@@H](CNC(=O)[C@@H]1COc2ccc(Br)cc21)c1ccco1 ZINC000122989128 654749167 /nfs/dbraw/zinc/74/91/67/654749167.db2.gz ZAEYIHMNHOOZEX-KGLIPLIRSA-N 1 0 379.254 2.937 20 0 GFADRO C[C@H]1C[N@@H+](CC(=O)Nc2ccc(Cl)c(S(=O)(=O)N(C)C)c2)CC[C@@H]1C ZINC000122990686 654749493 /nfs/dbraw/zinc/74/94/93/654749493.db2.gz HAWQCFVTRZPHTR-STQMWFEESA-N 1 0 387.933 2.507 20 0 GFADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3c(Br)nc4n3CCCC4)CC[C@H]21 ZINC000837476608 661000385 /nfs/dbraw/zinc/00/03/85/661000385.db2.gz OIPAKBQOWLGKMY-CHWSQXEVSA-N 1 0 381.318 2.538 20 0 GFADRO COc1cc(C[NH2+]C[C@H](C)C[C@@H](C)O)cc(I)c1OC ZINC000123428489 654755619 /nfs/dbraw/zinc/75/56/19/654755619.db2.gz HBROLOUEWPNUCF-GHMZBOCLSA-N 1 0 393.265 2.805 20 0 GFADRO CCCC[N@H+](C)CC1CCN(C(=O)Cn2cc(Br)ccc2=O)CC1 ZINC000123559592 654759396 /nfs/dbraw/zinc/75/93/96/654759396.db2.gz WPOCUFDRCPCSTO-UHFFFAOYSA-N 1 0 398.345 2.581 20 0 GFADRO C[N@H+](CCC(=O)Nc1ccccc1C(F)(F)F)CC(C)(C)S(C)(=O)=O ZINC000123610484 654760010 /nfs/dbraw/zinc/76/00/10/654760010.db2.gz YNKFGPKLMHEKMS-UHFFFAOYSA-N 1 0 380.432 2.789 20 0 GFADRO C[N@@H+]1CCCC12CCN(C(=O)c1c(Br)nc3n1CCCC3)CC2 ZINC000837514007 661002801 /nfs/dbraw/zinc/00/28/01/661002801.db2.gz UYPZMEHBISIMBR-UHFFFAOYSA-N 1 0 381.318 2.682 20 0 GFADRO O=C([C@@H]1CCC[N@@H+](CCOc2ccc(Cl)cc2Cl)C1)N1CCOCC1 ZINC000054994447 654767060 /nfs/dbraw/zinc/76/70/60/654767060.db2.gz URJVPFHEIXYKSI-CQSZACIVSA-N 1 0 387.307 2.943 20 0 GFADRO CC(C)[N@@H+]1CCCC[C@H]1COC(=O)c1cc(S(N)(=O)=O)cc(Cl)c1F ZINC000837593178 661006892 /nfs/dbraw/zinc/00/68/92/661006892.db2.gz NYSUULJNOFTLKL-NSHDSACASA-N 1 0 392.880 2.546 20 0 GFADRO Cc1csc(Sc2ccc(NC(=O)C(=O)NCC[NH+](C)C)c(C)c2)n1 ZINC000124985968 654785600 /nfs/dbraw/zinc/78/56/00/654785600.db2.gz AYQJBLQGUNVLBP-UHFFFAOYSA-N 1 0 378.523 2.527 20 0 GFADRO CC[NH+](CC)Cc1cccc(CNS(=O)(=O)c2c(C)nn(C)c2Cl)c1 ZINC000056101458 654788478 /nfs/dbraw/zinc/78/84/78/654788478.db2.gz RNAANOBUPDDWRF-UHFFFAOYSA-N 1 0 384.933 2.702 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)C(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000125554083 654797811 /nfs/dbraw/zinc/79/78/11/654797811.db2.gz OUPXSMBPMVBVNR-ZDUSSCGKSA-N 1 0 382.302 2.687 20 0 GFADRO O=C(CSC(F)(F)F)NCCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000057113952 654800379 /nfs/dbraw/zinc/80/03/79/654800379.db2.gz WWYDYCSYSNPALN-UHFFFAOYSA-N 1 0 375.460 2.958 20 0 GFADRO C[N@@H+]1CCC[C@]2(CCN(C(=O)c3c(Br)nc4n3CCCC4)C2)C1 ZINC000837671828 661010787 /nfs/dbraw/zinc/01/07/87/661010787.db2.gz TWBBOVMZGIYHLV-KRWDZBQOSA-N 1 0 381.318 2.540 20 0 GFADRO COC(=O)[C@H](c1cc(Cl)cc(Cl)c1)N1CC[NH+](CC(C)(C)O)CC1 ZINC000126024837 654807009 /nfs/dbraw/zinc/80/70/09/654807009.db2.gz KODAESWZQJVRAT-HNNXBMFYSA-N 1 0 375.296 2.596 20 0 GFADRO CC[NH+]1CCC(N(C)S(=O)(=O)c2cc(C)ccc2Br)CC1 ZINC000126362914 654813155 /nfs/dbraw/zinc/81/31/55/654813155.db2.gz FYOWAKZZZSWKFJ-UHFFFAOYSA-N 1 0 375.332 2.862 20 0 GFADRO C[N@@H+]1CCN(c2ncc(I)cn2)[C@H](c2ccccc2)C1 ZINC000126997484 654823188 /nfs/dbraw/zinc/82/31/88/654823188.db2.gz OLEDUYWNYTURCZ-AWEZNQCLSA-N 1 0 380.233 2.574 20 0 GFADRO Cc1csc([C@@](O)(CC(=O)NCC[NH+]2CCCCCC2)C(F)(F)F)n1 ZINC000059006753 654825226 /nfs/dbraw/zinc/82/52/26/654825226.db2.gz LQEUJXOWTPQFMS-HNNXBMFYSA-N 1 0 379.448 2.584 20 0 GFADRO O=C(NCC1CC1)[C@H]1CCC[N@@H+](C[C@@H](O)c2cccc(Br)c2)C1 ZINC000127190614 654825923 /nfs/dbraw/zinc/82/59/23/654825923.db2.gz IZBPNCWTLWJPNZ-DOTOQJQBSA-N 1 0 381.314 2.721 20 0 GFADRO NS(=O)(=O)c1ccc(CC[NH2+]Cc2ccc(CSC(F)F)o2)cc1 ZINC000063201933 654850519 /nfs/dbraw/zinc/85/05/19/654850519.db2.gz AFFFWYLTVUXRGU-UHFFFAOYSA-N 1 0 376.450 2.715 20 0 GFADRO O=C(C[NH2+][C@H]1CCCC[C@H]1n1cccn1)Nc1ccc(Br)cn1 ZINC000128861037 654853015 /nfs/dbraw/zinc/85/30/15/654853015.db2.gz NLWAQJMVTQOEEM-UONOGXRCSA-N 1 0 378.274 2.753 20 0 GFADRO COCC[N@H+]1[C@H](C)CN(C[C@H](O)COc2cc(Cl)ccc2Cl)C[C@@H]1C ZINC000129001711 654854150 /nfs/dbraw/zinc/85/41/50/654854150.db2.gz OFTWKLMOMDBPPQ-LZWOXQAQSA-N 1 0 391.339 2.774 20 0 GFADRO C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1ccc(=O)[nH]n1 ZINC000129077342 654855879 /nfs/dbraw/zinc/85/58/79/654855879.db2.gz CNAMLXQVHKJERS-UHFFFAOYSA-N 1 0 383.279 2.671 20 0 GFADRO C[C@H](Sc1nc2ccccc2s1)C(=O)NCCCN1CC[NH+](C)CC1 ZINC000129178235 654859468 /nfs/dbraw/zinc/85/94/68/654859468.db2.gz MDXATUJWNUQNMS-AWEZNQCLSA-N 1 0 378.567 2.531 20 0 GFADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 ZINC000266181536 654861014 /nfs/dbraw/zinc/86/10/14/654861014.db2.gz YUFTYZNQJWQYTO-OAGGEKHMSA-N 1 0 384.307 2.553 20 0 GFADRO CCO[C@H](CC[NH+](C)C)CNC(=O)Nc1cc(Br)ccc1OC ZINC000129551918 654866680 /nfs/dbraw/zinc/86/66/80/654866680.db2.gz AEGBZRYFCCFZSS-CYBMUJFWSA-N 1 0 388.306 2.936 20 0 GFADRO CC[N@H+](C)C[C@H]1CCN(S(=O)(=O)c2ccc(OC)c(Cl)c2Cl)C1 ZINC000266293076 654869562 /nfs/dbraw/zinc/86/95/62/654869562.db2.gz MAQZKKUELYQQRN-LLVKDONJSA-N 1 0 381.325 2.964 20 0 GFADRO CCC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)N(C)Cc2c(F)cccc2Cl)C1 ZINC000266338738 654873460 /nfs/dbraw/zinc/87/34/60/654873460.db2.gz VCHMUCICOJQVIA-AWEZNQCLSA-N 1 0 391.940 2.819 20 0 GFADRO O=C(CNC(=O)c1ccsc1)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000064664763 654873905 /nfs/dbraw/zinc/87/39/05/654873905.db2.gz FFCJONKOEOTNJI-AWEZNQCLSA-N 1 0 377.535 2.568 20 0 GFADRO C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+]C[C@H](O)COCC1CC1 ZINC000129797572 654873966 /nfs/dbraw/zinc/87/39/66/654873966.db2.gz MVWNRFACSFBTSV-LRDDRELGSA-N 1 0 385.302 2.543 20 0 GFADRO CC[NH+](CC)CCCNC(=O)NCc1cc2c(c(Br)c1)OCO2 ZINC000064764388 654875367 /nfs/dbraw/zinc/87/53/67/654875367.db2.gz GQEOUJULEKWJFV-UHFFFAOYSA-N 1 0 386.290 2.709 20 0 GFADRO O=C(CSCc1ccc(Br)cc1F)NC[C@@H]1CCC[NH2+]C1 ZINC000129896135 654876398 /nfs/dbraw/zinc/87/63/98/654876398.db2.gz INHWPPDAIHTVGD-LLVKDONJSA-N 1 0 375.307 2.937 20 0 GFADRO C[C@H](CNC(=O)Nc1ccc(CCn2cc(Br)cn2)cc1)[NH+](C)C ZINC000266402548 654877182 /nfs/dbraw/zinc/87/71/82/654877182.db2.gz MPCZXZVWHRATFE-CYBMUJFWSA-N 1 0 394.317 2.960 20 0 GFADRO C[N@@H+]1CC[C@H](CNC(=O)c2cc(I)ccc2Cl)C1 ZINC000129950407 654878698 /nfs/dbraw/zinc/87/86/98/654878698.db2.gz SRIMCBMVQJCWFE-SECBINFHSA-N 1 0 378.641 2.626 20 0 GFADRO CS(=O)(=O)[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCCN(c3ccccc3Cl)C2=O)C1 ZINC000266430140 654878736 /nfs/dbraw/zinc/87/87/36/654878736.db2.gz CVEVJPDJXXVMIO-IIAWOOMASA-N 1 0 384.929 2.781 20 0 GFADRO Cc1nn(C)c(Br)c1C(=O)N(CC[NH+](C)C)Cc1ccsc1 ZINC000838186356 661031991 /nfs/dbraw/zinc/03/19/91/661031991.db2.gz NCFOVOZEHAPBMM-UHFFFAOYSA-N 1 0 385.331 2.757 20 0 GFADRO FC(F)(F)COCCC[NH+]1CCN(C(=S)NCc2ccccc2)CC1 ZINC000066010734 654892796 /nfs/dbraw/zinc/89/27/96/654892796.db2.gz UWSVDSNJCGUNCQ-UHFFFAOYSA-N 1 0 375.460 2.648 20 0 GFADRO O[C@H](C[NH2+]Cc1cccc2c[nH]nc21)COc1ccccc1Br ZINC000130974434 654894773 /nfs/dbraw/zinc/89/47/73/654894773.db2.gz QHGJLAIVYXIKQA-CQSZACIVSA-N 1 0 376.254 2.855 20 0 GFADRO O[C@@H](C[NH2+]Cc1cccc2c[nH]nc21)COc1ccccc1Br ZINC000130974683 654894893 /nfs/dbraw/zinc/89/48/93/654894893.db2.gz QHGJLAIVYXIKQA-AWEZNQCLSA-N 1 0 376.254 2.855 20 0 GFADRO C[C@@H]([NH2+]C[C@@H](O)c1ccccc1Cl)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000266813234 654895263 /nfs/dbraw/zinc/89/52/63/654895263.db2.gz WTJIVUHXUMQVFW-FZKQIMNGSA-N 1 0 382.913 2.975 20 0 GFADRO CC[C@@H](C)[N@H+](C)CCNC(=O)[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000066125101 654895794 /nfs/dbraw/zinc/89/57/94/654895794.db2.gz SMJHAUOBAZFHSV-CJNGLKHVSA-N 1 0 396.329 2.649 20 0 GFADRO CC[C@H](C)[N@H+](C)CCNC(=O)NCC(=O)Nc1cc(Br)ccc1C ZINC000066192734 654896639 /nfs/dbraw/zinc/89/66/39/654896639.db2.gz VFKIYAKLYBYGDN-ZDUSSCGKSA-N 1 0 399.333 2.726 20 0 GFADRO Cc1c(Br)cccc1CN1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC000131160972 654897175 /nfs/dbraw/zinc/89/71/75/654897175.db2.gz MGHXIZHYGPAXFT-UHFFFAOYSA-N 1 0 394.357 2.888 20 0 GFADRO O=C(NC1CC[NH+](Cc2ccccn2)CC1)c1ccc(Br)nc1 ZINC000266893910 654898101 /nfs/dbraw/zinc/89/81/01/654898101.db2.gz BQQDXCWRCOZJEF-UHFFFAOYSA-N 1 0 375.270 2.634 20 0 GFADRO Cc1c(C(=O)NC[C@H]2CC[N@@H+](C)C2)cnn1-c1cccc(Br)c1 ZINC000066652197 654911024 /nfs/dbraw/zinc/91/10/24/654911024.db2.gz KAAWSKVPIDXFCN-CYBMUJFWSA-N 1 0 377.286 2.625 20 0 GFADRO Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[NH2+]C[C@@H]1CCCS1(=O)=O ZINC000131678260 654913317 /nfs/dbraw/zinc/91/33/17/654913317.db2.gz HLVZATVYGZUBKE-KRWDZBQOSA-N 1 0 381.929 2.868 20 0 GFADRO O=S1(=O)CCC[C@@H]1C[NH2+]Cc1cc(Cl)ccc1OCc1cccnc1 ZINC000131744450 654916485 /nfs/dbraw/zinc/91/64/85/654916485.db2.gz CYSHPCUYAQRNQB-QGZVFWFLSA-N 1 0 380.897 2.981 20 0 GFADRO O=S(=O)(/C=C/c1cccc(Br)c1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000066918515 654921399 /nfs/dbraw/zinc/92/13/99/654921399.db2.gz FAWXGDNFIBZUHP-AYAUWGRQSA-N 1 0 385.327 2.920 20 0 GFADRO C[NH+]1CCN(c2ccc(NC(=O)c3ccc(Br)c(F)c3)cn2)CC1 ZINC000067143066 654931393 /nfs/dbraw/zinc/93/13/93/654931393.db2.gz ATVBJMPXZWAKDM-UHFFFAOYSA-N 1 0 393.260 2.987 20 0 GFADRO C[C@H](CNC(=O)c1ccnc(Cl)c1I)[N@H+](C)C1CC1 ZINC000132318643 654933213 /nfs/dbraw/zinc/93/32/13/654933213.db2.gz GHHZFRGJONBZFC-MRVPVSSYSA-N 1 0 393.656 2.552 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)C(=O)N[C@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000067397954 654937804 /nfs/dbraw/zinc/93/78/04/654937804.db2.gz AVHZVJHLNRKPDO-GXTWGEPZSA-N 1 0 396.329 2.933 20 0 GFADRO Cc1c(Br)cccc1NC(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000067572889 654940915 /nfs/dbraw/zinc/94/09/15/654940915.db2.gz JVZGYNJRZHQTEY-CQSZACIVSA-N 1 0 384.318 2.972 20 0 GFADRO Cc1cc(NC(=O)C(=O)NC[C@@H]2CC[N@@H+](C(C)C)C2)ccc1Br ZINC000067782185 654945618 /nfs/dbraw/zinc/94/56/18/654945618.db2.gz FATUNWKVBAGDPV-ZDUSSCGKSA-N 1 0 382.302 2.543 20 0 GFADRO CC(C)C[C@H](CNC(=O)Cc1ccccc1I)[NH+](C)C ZINC000132901501 654948698 /nfs/dbraw/zinc/94/86/98/654948698.db2.gz HAIGEUPZZYELMJ-CQSZACIVSA-N 1 0 388.293 2.926 20 0 GFADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)Nc1ccc(Br)cc1F ZINC000133237337 654957519 /nfs/dbraw/zinc/95/75/19/654957519.db2.gz RCLCJLISKCAXKB-OLZOCXBDSA-N 1 0 398.276 2.612 20 0 GFADRO C[NH2+][C@@H]1CCCN(C(=O)c2cc(Cl)ccc2I)C1 ZINC000133274995 654958833 /nfs/dbraw/zinc/95/88/33/654958833.db2.gz ACPNNGUAEQNWMT-SNVBAGLBSA-N 1 0 378.641 2.769 20 0 GFADRO Cc1ccc(NC(=O)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)c(Br)c1 ZINC000133305167 654960023 /nfs/dbraw/zinc/96/00/23/654960023.db2.gz KMZYVQZXLISMJB-LBPRGKRZSA-N 1 0 384.318 2.789 20 0 GFADRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1ccc(F)cc1I ZINC000268293195 654966223 /nfs/dbraw/zinc/96/62/23/654966223.db2.gz ZSTMYYMRFLHTHX-YMTOWFKASA-N 1 0 388.224 2.643 20 0 GFADRO CC[C@](C)(CC(=O)OC)[NH2+]CC(=O)N[C@@H](C)c1ccc(Br)cc1 ZINC000134089356 654982605 /nfs/dbraw/zinc/98/26/05/654982605.db2.gz YCFFCCXVPATBIY-YVEFUNNKSA-N 1 0 385.302 2.948 20 0 GFADRO Cc1c([C@@H](C)[NH2+]CCn2ccnc2)nnn1-c1cccc(Br)c1 ZINC000268699978 654983300 /nfs/dbraw/zinc/98/33/00/654983300.db2.gz AXBGSMRGXOLESU-GFCCVEGCSA-N 1 0 375.274 2.886 20 0 GFADRO CC[N@@H+]1CC[C@@H](CNC(=O)c2ccc(F)c(I)c2)C1 ZINC000134132975 654984340 /nfs/dbraw/zinc/98/43/40/654984340.db2.gz RHOZZDINDDFDOY-JTQLQIEISA-N 1 0 376.213 2.502 20 0 GFADRO CCN(CCC[NH2+][C@H](C)c1ccc(OC(F)F)c(OC)c1)S(C)(=O)=O ZINC000268798417 654987135 /nfs/dbraw/zinc/98/71/35/654987135.db2.gz PBXLFQSCMPHKFN-GFCCVEGCSA-N 1 0 380.457 2.619 20 0 GFADRO Cc1c([C@@H](C)NCc2ccnn2C)nnn1-c1cccc(Br)c1 ZINC000268819638 654987699 /nfs/dbraw/zinc/98/76/99/654987699.db2.gz NSUBBEZZYVFWCB-LLVKDONJSA-N 1 0 375.274 2.923 20 0 GFADRO COC[C@](C)(O)C[NH2+]Cc1c(C)nn(-c2ccc(Br)cc2)c1C ZINC000069912018 654988861 /nfs/dbraw/zinc/98/88/61/654988861.db2.gz HHQMIBZEZCRDIP-QGZVFWFLSA-N 1 0 382.302 2.739 20 0 GFADRO O=C(CN1CC[NH+](CCCCCCO)CC1)Nc1ccc(Br)cc1 ZINC000268889547 654990297 /nfs/dbraw/zinc/99/02/97/654990297.db2.gz MDDHRYVKGWLIEA-UHFFFAOYSA-N 1 0 398.345 2.558 20 0 GFADRO Cc1ccc(NC(=O)C(=O)N2CCC[N@@H+](C(C)C)CC2)cc1Br ZINC000069989499 654991251 /nfs/dbraw/zinc/99/12/51/654991251.db2.gz FVIWHCWIOSXWPE-UHFFFAOYSA-N 1 0 382.302 2.639 20 0 GFADRO CC[C@@]1(C(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)CCC[NH2+]1 ZINC000134377698 654992548 /nfs/dbraw/zinc/99/25/48/654992548.db2.gz IXQOJXNWJIIWRH-KRWDZBQOSA-N 1 0 385.917 2.595 20 0 GFADRO CN(Cc1cc(Br)cs1)C(=O)C[N@H+](C)[C@H](CO)C(C)(C)C ZINC000134384561 654992880 /nfs/dbraw/zinc/99/28/80/654992880.db2.gz DFKFQEGLIOXDJU-CYBMUJFWSA-N 1 0 377.348 2.808 20 0 GFADRO COc1ccc([C@@H](C)[NH2+][C@@H]2CCCN(S(C)(=O)=O)C2)cc1Br ZINC000268976276 654993755 /nfs/dbraw/zinc/99/37/55/654993755.db2.gz GTVGRIOAGAZWFW-DGCLKSJQSA-N 1 0 391.331 2.532 20 0 GFADRO C[C@@H]([NH2+][C@H]1CCCN(S(C)(=O)=O)C1)c1ccc(OCC(F)(F)F)cc1 ZINC000269033237 654995765 /nfs/dbraw/zinc/99/57/65/654995765.db2.gz SCZPBSARPBTSBZ-OCCSQVGLSA-N 1 0 380.432 2.702 20 0 GFADRO C[NH2+]C[C@H]1CCCN(C(=O)c2cc(F)ccc2I)C1 ZINC000269110717 654998214 /nfs/dbraw/zinc/99/82/14/654998214.db2.gz OEWYZGQGZOCHSG-SNVBAGLBSA-N 1 0 376.213 2.502 20 0 GFADRO C[C@@H](NC(=O)c1ccn(-c2cccc(Br)c2)n1)[C@H]1CCC[NH2+]C1 ZINC000269163646 655000366 /nfs/dbraw/zinc/00/03/66/655000366.db2.gz CCEKMYRVXLZSMH-OLZOCXBDSA-N 1 0 377.286 2.753 20 0 GFADRO C[C@H](NC(=O)c1cnn(-c2cccc(Br)c2)c1)[C@H]1CCC[NH2+]C1 ZINC000269219041 655001798 /nfs/dbraw/zinc/00/17/98/655001798.db2.gz RPVPXSTYPWIWRQ-STQMWFEESA-N 1 0 377.286 2.753 20 0 GFADRO C[C@H](NC(=O)c1cnn(-c2ccc(Br)cc2)c1)[C@H]1CCC[NH2+]C1 ZINC000269229338 655002369 /nfs/dbraw/zinc/00/23/69/655002369.db2.gz VMTNLWDYSDJJKB-STQMWFEESA-N 1 0 377.286 2.753 20 0 GFADRO C[C@@]1(CNC(=O)NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1(Cl)Cl ZINC000838670059 661052864 /nfs/dbraw/zinc/05/28/64/661052864.db2.gz JZXFYGLTBWLSAU-DLBZAZTESA-N 1 0 386.323 2.507 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)NCCC2CC[NH+](C)CC2)c(Br)c1 ZINC000269301503 655004827 /nfs/dbraw/zinc/00/48/27/655004827.db2.gz YHKFDSXMDJYFLY-UHFFFAOYSA-N 1 0 396.329 2.853 20 0 GFADRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)NCCOc2ncc(Cl)cc2Cl)C1 ZINC000134877160 655004874 /nfs/dbraw/zinc/00/48/74/655004874.db2.gz SPWNFKWMJCSSCH-OLZOCXBDSA-N 1 0 375.300 2.939 20 0 GFADRO C[NH+](C)CCOc1ccccc1CNC(=O)c1ccnc(Br)c1 ZINC000135100671 655009739 /nfs/dbraw/zinc/00/97/39/655009739.db2.gz NQMPFOPBJAGCRF-UHFFFAOYSA-N 1 0 378.270 2.715 20 0 GFADRO Cc1n[nH]cc1C[N@@H+]1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000091842532 655010501 /nfs/dbraw/zinc/01/05/01/655010501.db2.gz HATINTBJRGGCTR-LBPRGKRZSA-N 1 0 378.274 2.726 20 0 GFADRO CC[NH+](CC)CCN(CCOC)Cc1cnc2ccc(Br)cn12 ZINC000093103875 655017687 /nfs/dbraw/zinc/01/76/87/655017687.db2.gz LVSXMDBAPIUUIX-UHFFFAOYSA-N 1 0 383.334 2.887 20 0 GFADRO COCC[N@@H+]1CCCN(C(=O)c2cc(F)c(F)cc2Br)CC1 ZINC000269720374 655018577 /nfs/dbraw/zinc/01/85/77/655018577.db2.gz GGWMQUZJMISKIU-UHFFFAOYSA-N 1 0 377.229 2.522 20 0 GFADRO C[N@H+](Cc1cc(Br)ccc1O)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000093385989 655019044 /nfs/dbraw/zinc/01/90/44/655019044.db2.gz CSRJQJMRJOLRJE-NSHDSACASA-N 1 0 381.192 2.750 20 0 GFADRO CC(C)[NH+]1CCC(O)(CNS(=O)(=O)Cc2c(Cl)cccc2Cl)CC1 ZINC000269757879 655020427 /nfs/dbraw/zinc/02/04/27/655020427.db2.gz BJBQMBNPUXGLHM-UHFFFAOYSA-N 1 0 395.352 2.648 20 0 GFADRO Cn1cc(Br)cc1C(=O)Nc1ccccc1C[NH+]1CCC(O)CC1 ZINC000135612058 655022385 /nfs/dbraw/zinc/02/23/85/655022385.db2.gz BPZLGLVFHWSTAJ-UHFFFAOYSA-N 1 0 392.297 2.997 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)c1cnn2cc(Br)cnc12)C1CCCCC1 ZINC000093963764 655025519 /nfs/dbraw/zinc/02/55/19/655025519.db2.gz VEAQUWWXDKETMQ-HNNXBMFYSA-N 1 0 394.317 2.732 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@@H](NC(=O)c2cn(-c3ccc(Br)cc3)cn2)C1 ZINC000093987475 655025694 /nfs/dbraw/zinc/02/56/94/655025694.db2.gz MHMIDFFHPDOXBW-UKRRQHHQSA-N 1 0 377.286 2.847 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@H](NC(=O)c2cnn(-c3ccc(Br)cc3)c2)C1 ZINC000093986456 655025728 /nfs/dbraw/zinc/02/57/28/655025728.db2.gz NQKFLFANSNBWBS-GOEBONIOSA-N 1 0 377.286 2.847 20 0 GFADRO C[NH+](C)CCN(C(=O)c1cnn2cc(Br)cnc12)c1ccccc1 ZINC000094068793 655026773 /nfs/dbraw/zinc/02/67/73/655026773.db2.gz BJPCCYYJJPPNDA-UHFFFAOYSA-N 1 0 388.269 2.700 20 0 GFADRO OC[C@@H](C[C@@H](O)c1ccccc1)[NH2+]Cc1cc2c(cc1Br)OCO2 ZINC000269911307 655026986 /nfs/dbraw/zinc/02/69/86/655026986.db2.gz IKFFQKBKONLWLI-GDBMZVCRSA-N 1 0 394.265 2.752 20 0 GFADRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)S(=O)(=O)c1cnc(C)s1 ZINC000269939685 655028267 /nfs/dbraw/zinc/02/82/67/655028267.db2.gz FHEZVRQOQBJEOH-KRWDZBQOSA-N 1 0 379.551 2.984 20 0 GFADRO C[NH+](C)CC[C@H](NC(=O)c1cnn2cc(Br)cnc12)C(C)(C)C ZINC000094152991 655028529 /nfs/dbraw/zinc/02/85/29/655028529.db2.gz CWTFLUNYPVFVNJ-ZDUSSCGKSA-N 1 0 382.306 2.588 20 0 GFADRO C[NH+]1CCC([C@H]2CCN(C(=O)c3cc(S(C)(=O)=O)ccc3Cl)C2)CC1 ZINC000270054475 655032707 /nfs/dbraw/zinc/03/27/07/655032707.db2.gz CYFDRYZFTIHYTK-AWEZNQCLSA-N 1 0 384.929 2.547 20 0 GFADRO CN(Cc1cccc(Br)c1)C(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000270323678 655040931 /nfs/dbraw/zinc/04/09/31/655040931.db2.gz BTXHMDLCVFHULZ-UHFFFAOYSA-N 1 0 397.361 2.617 20 0 GFADRO C[NH+](C)CCN(CC(=O)OC(C)(C)C)C(=O)c1cc(Cl)nc(Cl)c1 ZINC000101518363 655042097 /nfs/dbraw/zinc/04/20/97/655042097.db2.gz ZDODQKSOWHWWGP-UHFFFAOYSA-N 1 0 376.284 2.734 20 0 GFADRO CCOCCO[C@H]1CC[N@H+](Cn2ccc(=O)c3cccc(Br)c32)C1 ZINC000138471289 655043160 /nfs/dbraw/zinc/04/31/60/655043160.db2.gz SEKFFDRMKQHAMO-AWEZNQCLSA-N 1 0 395.297 2.849 20 0 GFADRO CS[C@@H]1CN(C(=O)CCCc2nc(-c3cccs3)no2)C[C@@H]1[NH+](C)C ZINC000270472335 655045849 /nfs/dbraw/zinc/04/58/49/655045849.db2.gz MAWPZLDQRBQHJN-GXTWGEPZSA-N 1 0 380.539 2.625 20 0 GFADRO CC(C)C(=O)NC[C@H]1CCC[N@H+](C[C@H](O)c2cccc(Br)c2)C1 ZINC000101910959 655048405 /nfs/dbraw/zinc/04/84/05/655048405.db2.gz KHUNJBVBIDHCAP-PBHICJAKSA-N 1 0 383.330 2.967 20 0 GFADRO CC(C)[N@H+](C)CCNC(=O)N1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000102059953 655050391 /nfs/dbraw/zinc/05/03/91/655050391.db2.gz ASNVNWIBZJIEEZ-MRXNPFEDSA-N 1 0 384.318 2.872 20 0 GFADRO COC(=O)[C@H]1CCC[N@H+](Cn2ccc(=O)c3cccc(Br)c32)C1 ZINC000151632196 655053217 /nfs/dbraw/zinc/05/32/17/655053217.db2.gz ANCRKSYEQWDQRG-LBPRGKRZSA-N 1 0 379.254 2.607 20 0 GFADRO CSCC[C@@H](O)C(=O)N(CC[NH+](C)C)Cc1cccc(C(F)(F)F)c1 ZINC000270795218 655056049 /nfs/dbraw/zinc/05/60/49/655056049.db2.gz MQBAWQHVQLTTBJ-OAHLLOKOSA-N 1 0 378.460 2.710 20 0 GFADRO C[C@@H]1C[NH+](CC2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)C[C@@H](C)O1 ZINC000102661121 655057358 /nfs/dbraw/zinc/05/73/58/655057358.db2.gz OHLWWQVEIMBJFA-HUUCEWRRSA-N 1 0 386.945 2.850 20 0 GFADRO O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)c1coc(Br)c1 ZINC000270877345 655058630 /nfs/dbraw/zinc/05/86/30/655058630.db2.gz OYBJKGNZKKJJBC-CVEARBPZSA-N 1 0 393.281 2.655 20 0 GFADRO COCC[N@H+](CCC(=O)N1CCCC1)Cc1cc(Br)cs1 ZINC000838967826 661065896 /nfs/dbraw/zinc/06/58/96/661065896.db2.gz YKDBWKASZDVNKB-UHFFFAOYSA-N 1 0 375.332 2.972 20 0 GFADRO CS[C@@H]1CN(C(=O)CCC(=O)CCC(=O)c2cccs2)C[C@@H]1[NH+](C)C ZINC000271114613 655067177 /nfs/dbraw/zinc/06/71/77/655067177.db2.gz JOWNKVRLHBDIRH-WMLDXEAASA-N 1 0 382.551 2.564 20 0 GFADRO C[NH+](C)CCCOc1ccc(CNS(=O)(=O)c2ccc(Cl)nc2)cc1 ZINC000103162887 655068662 /nfs/dbraw/zinc/06/86/62/655068662.db2.gz ORRBQNPYHVLFHM-UHFFFAOYSA-N 1 0 383.901 2.544 20 0 GFADRO NC(=O)C[C@H]1CCCC[N@@H+]1Cc1nc(-c2cccc(Br)c2)no1 ZINC000103287216 655070524 /nfs/dbraw/zinc/07/05/24/655070524.db2.gz IBVXVUOQZYTDQD-CYBMUJFWSA-N 1 0 379.258 2.729 20 0 GFADRO C[NH+]1CCC([C@H]2CCN(S(=O)(=O)c3c[nH]c4nccc(Cl)c34)C2)CC1 ZINC000271237982 655072217 /nfs/dbraw/zinc/07/22/17/655072217.db2.gz XIIDCVUBVTXZRY-ZDUSSCGKSA-N 1 0 382.917 2.569 20 0 GFADRO C[C@@H]([NH2+]CCC(=O)N1CCCC1)c1ccc(Br)cc1OCCCO ZINC000839017541 661068072 /nfs/dbraw/zinc/06/80/72/661068072.db2.gz JMMSKNOATYDHCB-CQSZACIVSA-N 1 0 399.329 2.873 20 0 GFADRO C[C@H](NC(=O)c1ccc(CS(=O)(=O)C(F)F)cc1)C(C)(C)C[NH+](C)C ZINC000155058455 655080580 /nfs/dbraw/zinc/08/05/80/655080580.db2.gz WXVFOBCSBXUBSM-LBPRGKRZSA-N 1 0 376.469 2.530 20 0 GFADRO C[C@@H]([NH2+]CCSC(C)(C)C)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000271420243 655080850 /nfs/dbraw/zinc/08/08/50/655080850.db2.gz BSACUXJFHGOAJK-OAHLLOKOSA-N 1 0 386.583 2.890 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1CCCNS(=O)(=O)c1cc2c(cc1Cl)OCCO2 ZINC000104733301 655084957 /nfs/dbraw/zinc/08/49/57/655084957.db2.gz AGQVNDNFQFRKIS-CYBMUJFWSA-N 1 0 388.917 2.654 20 0 GFADRO CC[N@@H+]1CCC[C@H](CNC(=O)NCCOc2ccc(Br)cc2)C1 ZINC000105201480 655089491 /nfs/dbraw/zinc/08/94/91/655089491.db2.gz SQXKSPBIMDPPJO-CQSZACIVSA-N 1 0 384.318 2.859 20 0 GFADRO C[C@H]([NH2+]Cc1cccc(S(=O)(=O)N(C)C)c1)c1ccc([S@@](C)=O)cc1 ZINC000271850273 655096762 /nfs/dbraw/zinc/09/67/62/655096762.db2.gz VVTSWFIIFJFLQJ-LFPIHBKWSA-N 1 0 380.535 2.525 20 0 GFADRO CCS(=O)(=O)c1ccc(C[NH2+][C@H](C)c2ccc(S(C)(=O)=O)cc2)cc1 ZINC000271974831 655099780 /nfs/dbraw/zinc/09/97/80/655099780.db2.gz GJTBMKNDQDRTQH-CQSZACIVSA-N 1 0 381.519 2.735 20 0 GFADRO C[N@H+]1CC=C(CNC(=O)N[C@H]2CCOc3ccc(Br)cc32)CC1 ZINC000272089194 655102245 /nfs/dbraw/zinc/10/22/45/655102245.db2.gz MVBORIVBMMOVJZ-HNNXBMFYSA-N 1 0 380.286 2.834 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)[C@@H]1CSCN1C(=O)C1CCCC1)c1cccs1 ZINC000106355188 655106833 /nfs/dbraw/zinc/10/68/33/655106833.db2.gz BILWWLCUKSGCMJ-GJZGRUSLSA-N 1 0 381.567 2.559 20 0 GFADRO CCCS(=O)(=O)N1CCC([NH2+]Cc2ccc(OC)c(OC)c2Cl)CC1 ZINC000106366955 655107250 /nfs/dbraw/zinc/10/72/50/655107250.db2.gz QOSKOWKCBKOFRN-UHFFFAOYSA-N 1 0 390.933 2.651 20 0 GFADRO CCN(CC)S(=O)(=O)c1cc(NC(=O)[C@@H](C(C)C)[NH+](C)C)ccc1Cl ZINC000106408347 655108384 /nfs/dbraw/zinc/10/83/84/655108384.db2.gz ISIPNCMJTRFUQN-MRXNPFEDSA-N 1 0 389.949 2.895 20 0 GFADRO C[NH+](C)CC(C)(C)CNC(=O)c1ccn(-c2cccc(Br)c2)n1 ZINC000106732205 655109949 /nfs/dbraw/zinc/10/99/49/655109949.db2.gz WOBHAVPEYZOVDT-UHFFFAOYSA-N 1 0 379.302 2.952 20 0 GFADRO C[NH+]1CCC(CNC(=O)c2ccn(-c3cccc(Br)c3)n2)CC1 ZINC000106764021 655110717 /nfs/dbraw/zinc/11/07/17/655110717.db2.gz XXMZHAIQOCFMGY-UHFFFAOYSA-N 1 0 377.286 2.706 20 0 GFADRO CC(C)[C@@H](C(=O)N1CCN(C(=O)c2c(Cl)cccc2Cl)CC1)[NH+](C)C ZINC000106909921 655114576 /nfs/dbraw/zinc/11/45/76/655114576.db2.gz PZDNDQXEPFPOID-INIZCTEOSA-N 1 0 386.323 2.864 20 0 GFADRO O=C(c1csc(I)c1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000107587648 655122667 /nfs/dbraw/zinc/12/26/67/655122667.db2.gz NSRKUXXQYZFFFJ-NSHDSACASA-N 1 0 376.263 2.663 20 0 GFADRO C[NH+](C)CCCNC(=O)c1cnn(-c2ncccc2Cl)c1C(F)(F)F ZINC000107357474 655120368 /nfs/dbraw/zinc/12/03/68/655120368.db2.gz WCRQMTGHKHWHNT-UHFFFAOYSA-N 1 0 375.782 2.621 20 0 GFADRO C[C@H]1CCCC[N@@H+]1CCNC(=O)c1csc(I)c1 ZINC000107555322 655122338 /nfs/dbraw/zinc/12/23/38/655122338.db2.gz KFDNWABTEPQMDX-JTQLQIEISA-N 1 0 378.279 2.957 20 0 GFADRO O=S(=O)(C(F)F)N1CCC(C[NH2+]C2CC(c3cccc(F)c3)C2)CC1 ZINC000272830154 655122564 /nfs/dbraw/zinc/12/25/64/655122564.db2.gz FHKGFOMXODQLHT-UHFFFAOYSA-N 1 0 376.444 2.926 20 0 GFADRO CCCc1c(C(=O)NCCCC[NH3+])nnn1Cc1cccc(Br)c1 ZINC000272944690 655126210 /nfs/dbraw/zinc/12/62/10/655126210.db2.gz KTZTWYYQWANHAM-UHFFFAOYSA-N 1 0 394.317 2.510 20 0 GFADRO O=C(Nc1ccc(C(=O)NC[C@@H]2CC[NH2+]C2)cc1)c1ccc(Br)o1 ZINC000273062069 655129060 /nfs/dbraw/zinc/12/90/60/655129060.db2.gz SZAOKZYENXHOIJ-LLVKDONJSA-N 1 0 392.253 2.634 20 0 GFADRO O=C(Nc1cc2c(cc1Br)OCCO2)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000108498089 655134452 /nfs/dbraw/zinc/13/44/52/655134452.db2.gz ABACSRZSGKVAPW-LBPRGKRZSA-N 1 0 396.285 2.826 20 0 GFADRO C[C@@H]([NH2+][C@@H](C)c1cnn(C)c1)C(=O)Nc1cccc(I)c1 ZINC000273278603 655137767 /nfs/dbraw/zinc/13/77/67/655137767.db2.gz HZWAWTMOPHBVGC-WDEREUQCSA-N 1 0 398.248 2.703 20 0 GFADRO CC(=O)N(c1nn(CN2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c(=S)s1)C1CC1 ZINC000164667306 655138335 /nfs/dbraw/zinc/13/83/35/655138335.db2.gz JZGZSEDPMHYGBH-UKRRQHHQSA-N 1 0 381.571 2.563 20 0 GFADRO CCC1(C[NH2+][C@H](C)c2cccc(N(S(C)(=O)=O)S(C)(=O)=O)c2)CCC1 ZINC000165315161 655140042 /nfs/dbraw/zinc/14/00/42/655140042.db2.gz UNNWZTKLMGGMLP-CQSZACIVSA-N 1 0 388.555 2.643 20 0 GFADRO C[C@H](C1CC[NH+](C)CC1)N(C)S(=O)(=O)c1cc(F)ccc1Br ZINC000273514984 655145909 /nfs/dbraw/zinc/14/59/09/655145909.db2.gz MWIYWDQZNHUPLA-LLVKDONJSA-N 1 0 393.322 2.939 20 0 GFADRO O[C@@H](COc1ccc(Cl)cc1Cl)C[NH+]1CCC(C2OCCO2)CC1 ZINC000171236824 655150072 /nfs/dbraw/zinc/15/00/72/655150072.db2.gz CUJQDFYQIQGJBM-CQSZACIVSA-N 1 0 376.280 2.818 20 0 GFADRO CCCOc1cccc(C[NH2+]CC2CCN(S(=O)(=O)C(F)F)CC2)c1 ZINC000171841811 655154450 /nfs/dbraw/zinc/15/44/50/655154450.db2.gz BQAHHIPTGCVKNX-UHFFFAOYSA-N 1 0 376.469 2.829 20 0 GFADRO C[NH+](C)CCOc1cc(-c2noc(-c3ccc(Br)cn3)n2)ccn1 ZINC000273799884 655158786 /nfs/dbraw/zinc/15/87/86/655158786.db2.gz BOFRGOXVZBHYLI-UHFFFAOYSA-N 1 0 390.241 2.897 20 0 GFADRO C[C@@H]([NH2+]C[C@H]1COC2(CCOCC2)O1)c1cc(Br)ncc1F ZINC000273880202 655162279 /nfs/dbraw/zinc/16/22/79/655162279.db2.gz QUVAOQNQWAWAJT-MNOVXSKESA-N 1 0 375.238 2.556 20 0 GFADRO CCOCC[NH+]1CCN(Cn2nc(-c3ccc(Cl)cc3)[nH]c2=S)CC1 ZINC000111164569 655165859 /nfs/dbraw/zinc/16/58/59/655165859.db2.gz PGHKCRSIEVAGQC-UHFFFAOYSA-N 1 0 381.933 2.873 20 0 GFADRO COc1ccc(S(=O)(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1Br ZINC000173277433 655166917 /nfs/dbraw/zinc/16/69/17/655166917.db2.gz RZTQCJTWNVYUEG-RYUDHWBXSA-N 1 0 391.331 2.561 20 0 GFADRO C[C@H](C[NH+]1CCCCC1)NC(=O)COc1ccc(C=O)cc1Br ZINC000173458223 655173189 /nfs/dbraw/zinc/17/31/89/655173189.db2.gz YWMOEMZPNMMRRO-CYBMUJFWSA-N 1 0 383.286 2.631 20 0 GFADRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)Cc1cc2c(cc1Br)OCCO2 ZINC000111663753 655175700 /nfs/dbraw/zinc/17/57/00/655175700.db2.gz WMSXVRYDRPIOBJ-CQSZACIVSA-N 1 0 397.313 2.753 20 0 GFADRO Cc1ccc(Br)cc1C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000173685572 655176206 /nfs/dbraw/zinc/17/62/06/655176206.db2.gz ZTYGAQAKVOCLST-HNNXBMFYSA-N 1 0 381.314 2.942 20 0 GFADRO CCOCCN1CCN(C(=O)N[C@@H]2C[C@H]2c2ccccc2Br)CC1 ZINC000111858328 655178314 /nfs/dbraw/zinc/17/83/14/655178314.db2.gz PAJFPAHITBGYNB-DOTOQJQBSA-N 1 0 396.329 2.669 20 0 GFADRO C[C@H]1C[C@H](NC(=O)c2cnn(C)c2Br)C[N@@H+]1Cc1ccccc1 ZINC000274194024 655178398 /nfs/dbraw/zinc/17/83/98/655178398.db2.gz LDILJLIOBURQRU-JSGCOSHPSA-N 1 0 377.286 2.575 20 0 GFADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)Nc1cc(Br)ccc1OC ZINC000111866546 655178651 /nfs/dbraw/zinc/17/86/51/655178651.db2.gz OTSGZQPCLKITLJ-CYBMUJFWSA-N 1 0 386.290 2.690 20 0 GFADRO CC[C@H](CO)[NH+]1CCN(CC(=O)Nc2c(Cl)cc(Cl)cc2Cl)CC1 ZINC000173741436 655178963 /nfs/dbraw/zinc/17/89/63/655178963.db2.gz MWLCZGHJIVWIBQ-GFCCVEGCSA-N 1 0 394.730 2.974 20 0 GFADRO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NC[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000173750766 655179465 /nfs/dbraw/zinc/17/94/65/655179465.db2.gz HPBKQVJREMFMCK-IRXDYDNUSA-N 1 0 389.323 2.936 20 0 GFADRO COCCC[NH+]1CCC(NC(=O)[C@@H](C)Oc2ccccc2Br)CC1 ZINC000112284308 655186746 /nfs/dbraw/zinc/18/67/46/655186746.db2.gz QHSWYCVAEAYLDE-CQSZACIVSA-N 1 0 399.329 2.834 20 0 GFADRO CCCC[N@H+](C)CCNC(=O)NCC(=O)Nc1cc(Br)ccc1C ZINC000112448997 655191298 /nfs/dbraw/zinc/19/12/98/655191298.db2.gz MGQCUEWGYOMNDC-UHFFFAOYSA-N 1 0 399.333 2.727 20 0 GFADRO COCC[NH+]1CCC(NC(=O)N2CCc3ccc(Br)cc32)CC1 ZINC000112446380 655191318 /nfs/dbraw/zinc/19/13/18/655191318.db2.gz KYSDVWCRAHXDMJ-UHFFFAOYSA-N 1 0 382.302 2.632 20 0 GFADRO C[N@H+](CCC(=O)Nc1cccnc1)C[C@@H](O)c1cccc(Br)c1 ZINC000839638980 661097565 /nfs/dbraw/zinc/09/75/65/661097565.db2.gz HKNXSJMFFPKXTA-MRXNPFEDSA-N 1 0 378.270 2.838 20 0 GFADRO Cc1cc(Br)c(F)cc1NC(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000274549817 655192756 /nfs/dbraw/zinc/19/27/56/655192756.db2.gz UQMNPUIYWIJDBQ-DZGCQCFKSA-N 1 0 398.276 2.578 20 0 GFADRO C[NH+](C)CCOc1ccc(CNC(=O)c2ccc(Br)nc2)cc1 ZINC000174177027 655193317 /nfs/dbraw/zinc/19/33/17/655193317.db2.gz QRSDUCBHHOJUPB-UHFFFAOYSA-N 1 0 378.270 2.715 20 0 GFADRO NC(=O)CC[C@@H]1CCC[N@H+](CCC(=O)Nc2cccc(Br)c2)C1 ZINC000112662632 655194719 /nfs/dbraw/zinc/19/47/19/655194719.db2.gz GUCORPQVESCSKC-ZDUSSCGKSA-N 1 0 382.302 2.755 20 0 GFADRO Cn1nnc2cc(C[N@H+](C)C[C@H](O)c3cccc(Br)c3)ccc21 ZINC000839642244 661098075 /nfs/dbraw/zinc/09/80/75/661098075.db2.gz QBMYFLKMOPUJNA-KRWDZBQOSA-N 1 0 375.270 2.896 20 0 GFADRO Nc1c(Br)cc(Br)cc1C[NH2+]C[C@@H](O)C(F)(F)F ZINC000274667189 655196350 /nfs/dbraw/zinc/19/63/50/655196350.db2.gz OJUAMQPGXJJJGI-MRVPVSSYSA-N 1 0 392.013 2.807 20 0 GFADRO Cc1cccn2c(C[NH2+]CCNC(=O)c3ccc(Br)cc3)cnc12 ZINC000174296329 655197824 /nfs/dbraw/zinc/19/78/24/655197824.db2.gz WJKHWNRSSLDKPN-UHFFFAOYSA-N 1 0 387.281 2.925 20 0 GFADRO O=C(CC[N@H+]1CC[C@@](O)(C(F)(F)F)C1)Nc1ccccc1Br ZINC000174755137 655207725 /nfs/dbraw/zinc/20/77/25/655207725.db2.gz AZGDITKFNKHIMI-ZDUSSCGKSA-N 1 0 381.192 2.777 20 0 GFADRO CC[NH+](CC)[C@H](CNC(=O)c1c(C)[nH]c(=O)nc1SC)c1ccsc1 ZINC000174989289 655211657 /nfs/dbraw/zinc/21/16/57/655211657.db2.gz KKVYLUUZDLNQMN-CYBMUJFWSA-N 1 0 380.539 2.675 20 0 GFADRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)Nc1ccccc1Br ZINC000113646707 655213115 /nfs/dbraw/zinc/21/31/15/655213115.db2.gz JFOVDPPDRAFFJQ-CYBMUJFWSA-N 1 0 382.302 2.768 20 0 GFADRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2cc(Cl)c(N)c(Cl)c2)C1 ZINC000839505128 661088532 /nfs/dbraw/zinc/08/85/32/661088532.db2.gz XEXGVTQVGYOSBM-LLVKDONJSA-N 1 0 387.311 2.608 20 0 GFADRO CCC[N@H+](CC)CCNC(=O)NCC(=O)Nc1ccc(Br)cc1C ZINC000175176457 655214401 /nfs/dbraw/zinc/21/44/01/655214401.db2.gz MEHJYFGQZUKHNU-UHFFFAOYSA-N 1 0 399.333 2.727 20 0 GFADRO CN(C)C1(C[NH2+]CC2=Cc3cc(Br)ccc3OC2)CCOCC1 ZINC000113959827 655216671 /nfs/dbraw/zinc/21/66/71/655216671.db2.gz BAHHHHKEYXBYIM-UHFFFAOYSA-N 1 0 381.314 2.925 20 0 GFADRO C[NH+](C)CCCOC1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 ZINC000175302549 655219194 /nfs/dbraw/zinc/21/91/94/655219194.db2.gz LHBWGPVIOFEWAS-UHFFFAOYSA-N 1 0 378.897 2.601 20 0 GFADRO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)c1ccc(Br)s1 ZINC000839559528 661091921 /nfs/dbraw/zinc/09/19/21/661091921.db2.gz YUHZFMLOGCBQDL-CYBMUJFWSA-N 1 0 395.322 2.982 20 0 GFADRO Cc1c(Br)cccc1C(=O)N1CCCC[C@H]([NH+]2CCN(C)CC2)C1 ZINC000175989534 655231624 /nfs/dbraw/zinc/23/16/24/655231624.db2.gz VQVWRGKJWMLEMC-INIZCTEOSA-N 1 0 394.357 3.000 20 0 GFADRO Cc1csc(NC(=O)C(=O)NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)n1 ZINC000176069875 655233524 /nfs/dbraw/zinc/23/35/24/655233524.db2.gz VTQQXAACJSQPOC-OCCSQVGLSA-N 1 0 378.523 2.651 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)c1cc(I)c[nH]1)c1ccccc1 ZINC000115316559 655234668 /nfs/dbraw/zinc/23/46/68/655234668.db2.gz SFCWKXOWRHZNTL-CQSZACIVSA-N 1 0 383.233 2.652 20 0 GFADRO O[C@@H](c1ncc[nH]1)C1CC[NH+](C[C@@H](O)c2ccc(Br)cc2)CC1 ZINC000839577961 661093155 /nfs/dbraw/zinc/09/31/55/661093155.db2.gz OUEFBWCOSWBKFW-HZPDHXFCSA-N 1 0 380.286 2.651 20 0 GFADRO C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+]1CC[C@@H](O)C(C)(C)C1 ZINC000275520727 655239948 /nfs/dbraw/zinc/23/99/48/655239948.db2.gz VGRKJRPWIFPKGT-XJKSGUPXSA-N 1 0 383.330 2.889 20 0 GFADRO C[NH+](C)CCN(Cc1cccs1)C(=O)CNC(=O)c1cccc(Cl)c1 ZINC000176257209 655242018 /nfs/dbraw/zinc/24/20/18/655242018.db2.gz BRGJHJXIWHSSQA-UHFFFAOYSA-N 1 0 379.913 2.722 20 0 GFADRO Cc1cc(Br)cn2c(C[NH2+][C@H]3CCO[C@@H]3c3nccn3C)cnc12 ZINC000275625045 655244684 /nfs/dbraw/zinc/24/46/84/655244684.db2.gz RUWQKFMTFNJVSN-GJZGRUSLSA-N 1 0 390.285 2.759 20 0 GFADRO Cn1cc([C@@H]2NC(=O)CC[C@H]2[NH2+]Cc2ccc(Cl)c(Br)c2)cn1 ZINC000275627530 655244713 /nfs/dbraw/zinc/24/47/13/655244713.db2.gz RZVGEWVVRGLREP-ZBFHGGJFSA-N 1 0 397.704 2.946 20 0 GFADRO CNc1cc(I)ccc1C(=O)NCC[N@@H+]1CCC[C@@H]1C ZINC000839727536 661102848 /nfs/dbraw/zinc/10/28/48/661102848.db2.gz FZDBVSGDFUSKLZ-NSHDSACASA-N 1 0 387.265 2.547 20 0 GFADRO C[C@@H](NC1CC[NH+](Cc2ccccc2Br)CC1)c1ncn(C)n1 ZINC000275702356 655247564 /nfs/dbraw/zinc/24/75/64/655247564.db2.gz LBCSMHDXUVPSNI-CYBMUJFWSA-N 1 0 378.318 2.893 20 0 GFADRO CC1CC[NH+](C[C@H](O)CNC(=O)c2cc(-c3ccc(Cl)s3)on2)CC1 ZINC000116448099 655247897 /nfs/dbraw/zinc/24/78/97/655247897.db2.gz YPPZZOFVVLPMTI-GFCCVEGCSA-N 1 0 383.901 2.879 20 0 GFADRO Cc1cc(Br)cc(NC(=O)C(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)c1 ZINC000275732770 655248657 /nfs/dbraw/zinc/24/86/57/655248657.db2.gz AERXHWWLMBWDFO-CYBMUJFWSA-N 1 0 396.329 2.885 20 0 GFADRO Cc1c(Br)cccc1NC(=O)C(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1 ZINC000275944184 655256029 /nfs/dbraw/zinc/25/60/29/655256029.db2.gz XONHOAIWAVYKFD-ZDUSSCGKSA-N 1 0 396.329 2.885 20 0 GFADRO C[S@@](=O)CCCNC(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000116957170 655257660 /nfs/dbraw/zinc/25/76/60/655257660.db2.gz JXVKKGAKHLXKKY-VWLOTQADSA-N 1 0 385.961 2.620 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)c(Br)c1 ZINC000276020205 655258892 /nfs/dbraw/zinc/25/88/92/655258892.db2.gz KPHDSTMYVJZWIM-ZFWWWQNUSA-N 1 0 396.329 2.803 20 0 GFADRO Cc1cc(Br)c(F)cc1NC(=O)C(=O)N[C@@H](C)C1=CC[N@H+](C)CC1 ZINC000276050519 655260355 /nfs/dbraw/zinc/26/03/55/655260355.db2.gz KCMAXJRUXYIMNQ-NSHDSACASA-N 1 0 398.276 2.602 20 0 GFADRO C[NH+](C)CCCOC1CCN(C(=O)Cc2cccc(Br)c2)CC1 ZINC000177099206 655268566 /nfs/dbraw/zinc/26/85/66/655268566.db2.gz ZWFJGEHYPGUDJV-UHFFFAOYSA-N 1 0 383.330 2.951 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)c2cc(Br)c3c(c2)OCCO3)C[N@@H+]1C1CC1 ZINC000177120661 655269195 /nfs/dbraw/zinc/26/91/95/655269195.db2.gz KJGOUAXOZWJAAO-PWSUYJOCSA-N 1 0 381.270 2.575 20 0 GFADRO C[NH+](C)C1CCN(CCNC(=O)c2cc3cc(Br)ccc3o2)CC1 ZINC000177120358 655269312 /nfs/dbraw/zinc/26/93/12/655269312.db2.gz UXTCTGYFQOECNZ-UHFFFAOYSA-N 1 0 394.313 2.951 20 0 GFADRO Cn1nc(Br)c2c1ncnc2NCc1ccc(CC[NH+](C)C)cc1 ZINC000276274778 655269737 /nfs/dbraw/zinc/26/97/37/655269737.db2.gz HOPSZHCRCDKHGC-UHFFFAOYSA-N 1 0 389.301 2.842 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000118096721 655271644 /nfs/dbraw/zinc/27/16/44/655271644.db2.gz PTRWZUPZOAOINS-NSHDSACASA-N 1 0 377.794 2.898 20 0 GFADRO Cc1cc(NC(=O)C(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)ccc1Br ZINC000118112436 655271863 /nfs/dbraw/zinc/27/18/63/655271863.db2.gz GLCCUSWBLWQZDA-CQSZACIVSA-N 1 0 396.329 2.933 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000177531908 655279952 /nfs/dbraw/zinc/27/99/52/655279952.db2.gz CSMPGGCOWOVFGZ-CQSZACIVSA-N 1 0 382.302 2.557 20 0 GFADRO CC(C)(C(=O)NCCC[NH+]1CCC(O)CC1)c1cccc(Br)c1 ZINC000118723104 655281239 /nfs/dbraw/zinc/28/12/39/655281239.db2.gz DACODYROWXAVDE-UHFFFAOYSA-N 1 0 383.330 2.690 20 0 GFADRO CC1CC[NH+](CC(=O)NCCC(=O)Nc2ccc(Br)cc2)CC1 ZINC000177576115 655282106 /nfs/dbraw/zinc/28/21/06/655282106.db2.gz OANGIOHRWOXBEU-UHFFFAOYSA-N 1 0 382.302 2.626 20 0 GFADRO COC(=O)CCN(Cc1cccc(Br)c1)C(=O)C1CC[NH+](C)CC1 ZINC000276646200 655282111 /nfs/dbraw/zinc/28/21/11/655282111.db2.gz DFUGCSKCDPQIBP-UHFFFAOYSA-N 1 0 397.313 2.683 20 0 GFADRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2cc(Br)c3c(c2)OCCO3)C1 ZINC000119059639 655288313 /nfs/dbraw/zinc/28/83/13/655288313.db2.gz GGFJPYKZZPFBPJ-DOMZBBRYSA-N 1 0 395.297 2.777 20 0 GFADRO O=C1CCCN1[C@H]1CC[N@@H+](CC2=Cc3cc(Br)ccc3OC2)C1 ZINC000276848490 655290063 /nfs/dbraw/zinc/29/00/63/655290063.db2.gz UKKOEMMKUCVKFE-INIZCTEOSA-N 1 0 377.282 2.922 20 0 GFADRO COc1cccc([C@@H](CNC(=O)c2nc(Br)cs2)[NH+](C)C)c1 ZINC000119150558 655291551 /nfs/dbraw/zinc/29/15/51/655291551.db2.gz GEYWTDIZWURUOV-GFCCVEGCSA-N 1 0 384.299 2.947 20 0 GFADRO COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000276952747 655294812 /nfs/dbraw/zinc/29/48/12/655294812.db2.gz LIVAIVIACFDZND-YMTOWFKASA-N 1 0 386.279 2.539 20 0 GFADRO Cc1ccc(NC(=O)C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)c(Br)c1 ZINC000178014825 655295629 /nfs/dbraw/zinc/29/56/29/655295629.db2.gz WSZKRWYURZTMQC-STQMWFEESA-N 1 0 382.302 2.685 20 0 GFADRO O=C(CCc1ccccc1Br)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000178094228 655297758 /nfs/dbraw/zinc/29/77/58/655297758.db2.gz LZXKFWWOZPUNOF-HNNXBMFYSA-N 1 0 381.314 2.562 20 0 GFADRO Cn1cc(N2CCC[C@@H]([N@H+](C)CCc3ccc(Br)cc3)C2=O)cn1 ZINC000119367599 655300895 /nfs/dbraw/zinc/30/08/95/655300895.db2.gz ZMPVDNMSOZXGOK-QGZVFWFLSA-N 1 0 391.313 2.853 20 0 GFADRO COC1(C[NH2+]CCc2cn3cc(Br)cc(C)c3n2)CCOCC1 ZINC000277112130 655303895 /nfs/dbraw/zinc/30/38/95/655303895.db2.gz XPUCYOSZWFXVBC-UHFFFAOYSA-N 1 0 382.302 2.733 20 0 GFADRO CC[NH+]1CCN(CCCNC(=O)c2ccc(C(F)(F)F)nc2Cl)CC1 ZINC000178542922 655304538 /nfs/dbraw/zinc/30/45/38/655304538.db2.gz NQZIRUQAUIDYCQ-UHFFFAOYSA-N 1 0 378.826 2.511 20 0 GFADRO CC(C)[NH+]1CCC(N2C(=O)N[C@H](c3ccc(Br)cc3)C2=O)CC1 ZINC000277196871 655307284 /nfs/dbraw/zinc/30/72/84/655307284.db2.gz DACAAGCSDHORMZ-OAHLLOKOSA-N 1 0 380.286 2.915 20 0 GFADRO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@H]1N2C(=O)c1cc(Br)nn1C ZINC000277205164 655307619 /nfs/dbraw/zinc/30/76/19/655307619.db2.gz JNOQYGMETIBXAD-DZGCQCFKSA-N 1 0 389.297 2.939 20 0 GFADRO C[C@@H]1C[C@@H]([NH2+]CCC(=O)N2CCN(C)CC2)c2cccc(Br)c21 ZINC000178673377 655307793 /nfs/dbraw/zinc/30/77/93/655307793.db2.gz TUBQYBDUZMZGOX-CZUORRHYSA-N 1 0 380.330 2.751 20 0 GFADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)c2cc(F)c(F)cc2Br)C1 ZINC000178748270 655309056 /nfs/dbraw/zinc/30/90/56/655309056.db2.gz IBCGUIPTFIVMEQ-LLVKDONJSA-N 1 0 391.256 2.814 20 0 GFADRO C[C@H](C(=O)Nc1cccc(I)c1)[N@H+](C)C[C@@H]1CCOC1 ZINC000178757299 655309281 /nfs/dbraw/zinc/30/92/81/655309281.db2.gz HEBABMUCRXMRBJ-NEPJUHHUSA-N 1 0 388.249 2.587 20 0 GFADRO C[NH+](C)[C@@H]1CCCN(C(=O)c2cc(Br)c3c(c2)OCCO3)CC1 ZINC000277269695 655310448 /nfs/dbraw/zinc/31/04/48/655310448.db2.gz MGWDMEPZXYGABK-CYBMUJFWSA-N 1 0 383.286 2.777 20 0 GFADRO C[NH+](C)[C@@H]1CCCN(C(=O)c2ccc(F)cc2I)CC1 ZINC000277287586 655311245 /nfs/dbraw/zinc/31/12/45/655311245.db2.gz NXGQUEXTNPKSEH-GFCCVEGCSA-N 1 0 390.240 2.987 20 0 GFADRO COCCNS(=O)(=O)c1cccc(C[NH2+][C@H]2CS[C@H](C(C)(C)C)C2)c1 ZINC000277293936 655311616 /nfs/dbraw/zinc/31/16/16/655311616.db2.gz RLSFUBCRRUEISV-WBVHZDCISA-N 1 0 386.583 2.621 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(C)cc2Br)[C@H](C)C1 ZINC000119754873 655313758 /nfs/dbraw/zinc/31/37/58/655313758.db2.gz IVFYVCDVLVFYFS-CJNGLKHVSA-N 1 0 396.329 2.885 20 0 GFADRO COC(=O)c1c(Br)ccc(NC(=O)N2CC[C@@H](C[NH+](C)C)C2)c1C ZINC000277341072 655313787 /nfs/dbraw/zinc/31/37/87/655313787.db2.gz XDPBGXGUPJDHLO-LBPRGKRZSA-N 1 0 398.301 2.960 20 0 GFADRO CC1(C)CN(CCNC(=O)C[C@@H](O)c2cc(Cl)cc(Cl)c2)CCO1 ZINC000179774639 655317119 /nfs/dbraw/zinc/31/71/19/655317119.db2.gz JBGIRZZCZAEZQJ-OAHLLOKOSA-N 1 0 375.296 2.644 20 0 GFADRO C[NH+](C)CCOc1ccccc1CNS(=O)(=O)c1ccc(F)cc1Cl ZINC000119973923 655323613 /nfs/dbraw/zinc/32/36/13/655323613.db2.gz XUYDWIUKTZRGOZ-UHFFFAOYSA-N 1 0 386.876 2.898 20 0 GFADRO CC1CCN(S(=O)(=O)Cc2ccccc2C[NH2+]Cc2cncs2)CC1 ZINC000119979797 655323784 /nfs/dbraw/zinc/32/37/84/655323784.db2.gz AAMFTISTDPAZDB-UHFFFAOYSA-N 1 0 379.551 2.995 20 0 GFADRO COCCSCCC[NH+]1CCN(CC(=O)Nc2ccccc2Cl)CC1 ZINC000278596197 655325369 /nfs/dbraw/zinc/32/53/69/655325369.db2.gz ZZQXNMOIZJBMGV-UHFFFAOYSA-N 1 0 385.961 2.666 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)[C@H](C)C1 ZINC000180342797 655325728 /nfs/dbraw/zinc/32/57/28/655325728.db2.gz KYARBTUTRLTXNR-BDAKNGLRSA-N 1 0 386.386 2.733 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)[C@H](C)C1 ZINC000180342816 655325781 /nfs/dbraw/zinc/32/57/81/655325781.db2.gz KYARBTUTRLTXNR-RKDXNWHRSA-N 1 0 386.386 2.733 20 0 GFADRO O=C(CCC[S@](=O)c1ccc(Br)cc1)NNc1cc[nH+]cc1 ZINC000180501295 655327430 /nfs/dbraw/zinc/32/74/30/655327430.db2.gz HIFZFXMTIOLXBU-QFIPXVFZSA-N 1 0 382.283 2.875 20 0 GFADRO COc1ccc([C@@H](C)[NH2+]CC(=O)N[C@@H](C(C)=O)C(C)C)cc1Br ZINC000120155775 655329562 /nfs/dbraw/zinc/32/95/62/655329562.db2.gz WGWDXLVQJKWWQZ-PIGZYNQJSA-N 1 0 385.302 2.838 20 0 GFADRO C[C@@H]([NH2+]CCCC(C)(C)CO)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000280743205 655329904 /nfs/dbraw/zinc/32/99/04/655329904.db2.gz PGIQGPGYTHSGKQ-LLVKDONJSA-N 1 0 393.347 2.546 20 0 GFADRO CSC(C)(C)C[NH2+][C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000280756517 655330329 /nfs/dbraw/zinc/33/03/29/655330329.db2.gz QJFFXZHWKARNIC-VIFPVBQESA-N 1 0 381.361 2.889 20 0 GFADRO CC[C@H]([NH2+][C@H](C)C(=O)NC(C)(C)C)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000280765126 655330896 /nfs/dbraw/zinc/33/08/96/655330896.db2.gz FSXUFZAOBRBDDU-RISCZKNCSA-N 1 0 389.949 2.592 20 0 GFADRO CC[C@H](C)C[C@H](C)[NH2+][C@@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000181183014 655333609 /nfs/dbraw/zinc/33/36/09/655333609.db2.gz GWZNWAVGDZIRSH-KKUMJFAQSA-N 1 0 390.571 2.888 20 0 GFADRO CC(C)C[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2ccccc2OC(F)F)C1 ZINC000120318576 655335005 /nfs/dbraw/zinc/33/50/05/655335005.db2.gz RYQFXWNSINXTOF-AWEZNQCLSA-N 1 0 376.469 2.934 20 0 GFADRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)Nc1cc(Cl)c(Cl)cc1F ZINC000281561242 655335263 /nfs/dbraw/zinc/33/52/63/655335263.db2.gz WOXBLOGLLDKJQG-LKFCYVNXSA-N 1 0 376.259 2.870 20 0 GFADRO C[C@@H]([NH2+]CC(=O)Nc1ccccc1C(N)=O)c1ccc(Br)cc1 ZINC000181558396 655338921 /nfs/dbraw/zinc/33/89/21/655338921.db2.gz KZXLSCAUNAOZPE-LLVKDONJSA-N 1 0 376.254 2.837 20 0 GFADRO CCO[C@@H]1C[C@@H]([NH2+]C2CCN(S(=O)(=O)C(F)(F)F)CC2)C1(CC)CC ZINC000181884208 655340942 /nfs/dbraw/zinc/34/09/42/655340942.db2.gz YSVZWSFUGLBURD-ZIAGYGMSSA-N 1 0 386.480 2.874 20 0 GFADRO CC[C@H](Cc1cccc(Br)c1)C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000289291278 655345546 /nfs/dbraw/zinc/34/55/46/655345546.db2.gz RDYDIHVCEBXQQJ-AEFFLSMTSA-N 1 0 394.357 2.524 20 0 GFADRO C[C@@H](CNC(=O)NCc1cc2c(c(Br)c1)OCO2)C[NH+]1CCCC1 ZINC000120859390 655345760 /nfs/dbraw/zinc/34/57/60/655345760.db2.gz DQOVZPPSLCEYQL-LBPRGKRZSA-N 1 0 398.301 2.709 20 0 GFADRO CC(C)(C(=O)NNc1cc[nH+]cc1)S(=O)(=O)c1ccc(Br)cc1 ZINC000183012423 655348641 /nfs/dbraw/zinc/34/86/41/655348641.db2.gz NKDSRIYROOYSDK-UHFFFAOYSA-N 1 0 398.282 2.540 20 0 GFADRO Cc1ccc(C[NH+](C)C)cc1NC(=O)c1c(I)cnn1C ZINC000292885402 655355987 /nfs/dbraw/zinc/35/59/87/655355987.db2.gz TVGLAQSONYQASX-UHFFFAOYSA-N 1 0 398.248 2.647 20 0 GFADRO C[C@@H]1C[N@@H+](CCCNC(=O)Cc2cscc2Br)C[C@H](C)O1 ZINC000292893362 655356231 /nfs/dbraw/zinc/35/62/31/655356231.db2.gz ZTWKSNZWUNGMAV-TXEJJXNPSA-N 1 0 375.332 2.669 20 0 GFADRO C[N@@H+]1CC[C@@]2(CCN(C(=O)Nc3ccc(I)cc3)C2)C1 ZINC000292936693 655357533 /nfs/dbraw/zinc/35/75/33/655357533.db2.gz ZIIKFQJODJYUQO-OAHLLOKOSA-N 1 0 385.249 2.851 20 0 GFADRO CC(C)O[C@H]1C[C@H]([NH2+]CC2CCN(S(=O)(=O)C(F)(F)F)CC2)C1(C)C ZINC000185224266 655363210 /nfs/dbraw/zinc/36/32/10/655363210.db2.gz JFKAODKPGTVMJT-KBPBESRZSA-N 1 0 386.480 2.730 20 0 GFADRO C[C@@H]1CN(C(=O)Cc2csc(NC(=O)c3cccs3)n2)C[C@H](C)[N@H+]1C ZINC000293975408 655363704 /nfs/dbraw/zinc/36/37/04/655363704.db2.gz MKUQMDKMQZXQLC-TXEJJXNPSA-N 1 0 378.523 2.550 20 0 GFADRO CCOC(=O)N1CC[C@H]([NH2+]Cc2cnn(-c3ccc(Br)cc3)c2)C1 ZINC000185788771 655366441 /nfs/dbraw/zinc/36/64/41/655366441.db2.gz HKANIWVINZGDCI-HNNXBMFYSA-N 1 0 393.285 2.955 20 0 GFADRO C[C@@H]([NH2+][C@H]1CCN(CC(F)(F)F)C1=O)c1cc(Br)ccc1O ZINC000186021366 655367287 /nfs/dbraw/zinc/36/72/87/655367287.db2.gz SOPBOEQFEWLSFR-KCJUWKMLSA-N 1 0 381.192 2.969 20 0 GFADRO COC(=O)N1CCC([C@@H](C)[NH2+]C[C@@H](O)c2ccccc2Br)CC1 ZINC000186414126 655369327 /nfs/dbraw/zinc/36/93/27/655369327.db2.gz LSFOSYSUNYMKLU-MLGOLLRUSA-N 1 0 385.302 2.939 20 0 GFADRO Cc1ccc(Br)nc1C(=O)Nc1cc(C(N)=O)ccc1C[NH+](C)C ZINC000187942418 655377317 /nfs/dbraw/zinc/37/73/17/655377317.db2.gz MHAACQDPZPRBBN-UHFFFAOYSA-N 1 0 391.269 2.565 20 0 GFADRO C[C@H](C[C@H]1CCCCCN1C(=O)OC(C)(C)C)[NH2+]CCCS(C)(=O)=O ZINC000301518684 655377832 /nfs/dbraw/zinc/37/78/32/655377832.db2.gz ZZUFTXWJBPJXQY-HZPDHXFCSA-N 1 0 376.563 2.969 20 0 GFADRO C[C@H]1C[C@H](C)C[NH+](CCCNS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000303187064 655377961 /nfs/dbraw/zinc/37/79/61/655377961.db2.gz YJRMSRGWKJXUCZ-STQMWFEESA-N 1 0 389.905 2.895 20 0 GFADRO C[N@@H+]1CCC[C@]2(CCN(CN3Cc4ccc(Br)cc4C3=O)C2)C1 ZINC000840087422 661130626 /nfs/dbraw/zinc/13/06/26/661130626.db2.gz SDMQQVSYCVOCBX-SFHVURJKSA-N 1 0 378.314 2.780 20 0 GFADRO Cc1ccc(C(=O)NCC[NH2+]C[C@H](O)c2cccc(Br)c2)cc1 ZINC000321625264 655382753 /nfs/dbraw/zinc/38/27/53/655382753.db2.gz NMAFSADJLAKZDR-KRWDZBQOSA-N 1 0 377.282 2.811 20 0 GFADRO O=S(=O)(c1csc(-c2ccc(Cl)cc2)n1)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000333679496 655388037 /nfs/dbraw/zinc/38/80/37/655388037.db2.gz OPACWENVBQQIJE-MRXNPFEDSA-N 1 0 383.926 2.980 20 0 GFADRO CCS[C@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1sc2c(c1C(N)=O)CCC2 ZINC000190025087 655389632 /nfs/dbraw/zinc/38/96/32/655389632.db2.gz VENTVFPRYDHTPL-OCCSQVGLSA-N 1 0 381.567 2.928 20 0 GFADRO CC[N@H+](CCN1C(=O)N[C@H](c2ccc(OC)c(Br)c2)C1=O)C1CC1 ZINC000349434363 655390316 /nfs/dbraw/zinc/39/03/16/655390316.db2.gz XBKKZLVYVZZLDV-OAHLLOKOSA-N 1 0 396.285 2.535 20 0 GFADRO CC[N@H+](CCNC(=O)C1CCN(C(=O)c2ccc(Cl)s2)CC1)C1CC1 ZINC000363195169 655391247 /nfs/dbraw/zinc/39/12/47/655391247.db2.gz ACCRSWZBXLDNQX-UHFFFAOYSA-N 1 0 383.945 2.854 20 0 GFADRO O=C(NCC[N@@H+]1CCCOCC1)N[C@H]1CCOc2c(Cl)c(Cl)ccc21 ZINC000365174137 655392195 /nfs/dbraw/zinc/39/21/95/655392195.db2.gz BTSWNOUHIYVNNN-AWEZNQCLSA-N 1 0 388.295 2.839 20 0 GFADRO COc1cc(Cl)c(Cl)cc1C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000365908634 655396359 /nfs/dbraw/zinc/39/63/59/655396359.db2.gz PEMIOFXCALZVMG-GFCCVEGCSA-N 1 0 386.323 2.900 20 0 GFADRO CC[NH+](CC)[C@@H](CNC(=O)c1cc(Br)nn1C)c1ccccc1 ZINC000192078257 655402344 /nfs/dbraw/zinc/40/23/44/655402344.db2.gz YFHQNCHMXVIDPR-HNNXBMFYSA-N 1 0 379.302 2.996 20 0 GFADRO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)NCC(F)(F)c1ccc(Cl)cc1 ZINC000419502945 655406883 /nfs/dbraw/zinc/40/68/83/655406883.db2.gz GGTVEYBZJRQAMB-CHWSQXEVSA-N 1 0 375.847 2.528 20 0 GFADRO Cc1cc(S(=O)(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)cnc1Cl ZINC000192987454 655407746 /nfs/dbraw/zinc/40/77/46/655407746.db2.gz VODBABOZPRBRRH-MRXNPFEDSA-N 1 0 379.913 2.844 20 0 GFADRO Cn1ccnc1[C@H]1CCC[N@H+](C[C@@H](O)COc2ccc(Br)cc2)C1 ZINC000444801991 655409827 /nfs/dbraw/zinc/40/98/27/655409827.db2.gz LQSFXROXLJXZJQ-GOEBONIOSA-N 1 0 394.313 2.802 20 0 GFADRO Cc1ccc(F)c(Br)c1NC(=O)C(=O)N[C@H](C)C1=CC[N@H+](C)CC1 ZINC000453720952 655412546 /nfs/dbraw/zinc/41/25/46/655412546.db2.gz AJZNACBKADPGRM-LLVKDONJSA-N 1 0 398.276 2.602 20 0 GFADRO C[C@@H]([NH2+]CC1=Cc2cc(Br)ccc2OC1)C1(S(C)(=O)=O)CC1 ZINC000512894765 655418013 /nfs/dbraw/zinc/41/80/13/655418013.db2.gz LSSIZDGAKNPTHR-LLVKDONJSA-N 1 0 386.311 2.780 20 0 GFADRO COC(=O)[C@H](C)C[N@H+](C)CCCOc1cccc(I)c1 ZINC000517841323 655418928 /nfs/dbraw/zinc/41/89/28/655418928.db2.gz GDSHWPWWXYCDRQ-GFCCVEGCSA-N 1 0 391.249 2.801 20 0 GFADRO CCOc1ccc(S(=O)(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)cc1Br ZINC000517935184 655419361 /nfs/dbraw/zinc/41/93/61/655419361.db2.gz MZSCWDXRRCBRGN-VXGBXAGGSA-N 1 0 391.331 2.644 20 0 GFADRO CC(C)[C@H](C[NH+](C)C)NC(=O)c1ccc(F)cc1I ZINC000223503116 655422244 /nfs/dbraw/zinc/42/22/44/655422244.db2.gz OBFACMJFGVBCNA-ZDUSSCGKSA-N 1 0 378.229 2.746 20 0 GFADRO [NH3+]C1(CNS(=O)(=O)c2c(Cl)cc(Br)cc2Cl)CCC1 ZINC000230052649 655423363 /nfs/dbraw/zinc/42/33/63/655423363.db2.gz BEELPYYQSNMYMV-UHFFFAOYSA-N 1 0 388.114 2.916 20 0 GFADRO CN(CC[N@H+](C)C1CC1)C(=O)c1cc(Br)cnc1OCC1CC1 ZINC000560646584 655423379 /nfs/dbraw/zinc/42/33/79/655423379.db2.gz PHSCRSWAXCJXFI-UHFFFAOYSA-N 1 0 382.302 2.799 20 0 GFADRO C[C@@H](NC(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1)c1ncc(Br)cn1 ZINC000562670615 655423880 /nfs/dbraw/zinc/42/38/80/655423880.db2.gz IUUCSAVNCXGFQI-TZMCWYRMSA-N 1 0 396.333 2.673 20 0 GFADRO Cc1c2cc(Cl)ccc2sc1CNC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000566067037 655424696 /nfs/dbraw/zinc/42/46/96/655424696.db2.gz ANYXXUYVALEDRN-AWEZNQCLSA-N 1 0 379.913 2.738 20 0 GFADRO CC(=O)N[C@H](CC(=O)N[C@@](C)(C[NH3+])CC(C)C)c1ccc(Br)cc1 ZINC000236685713 655424750 /nfs/dbraw/zinc/42/47/50/655424750.db2.gz PPJJMTCZGKVRSS-SJLPKXTDSA-N 1 0 398.345 2.896 20 0 GFADRO COc1ccc(C(=O)N(C)CC[C@H]([NH3+])C(C)C)c(I)c1 ZINC000237164933 655425841 /nfs/dbraw/zinc/42/58/41/655425841.db2.gz LHHVJTJXPULAMU-AWEZNQCLSA-N 1 0 390.265 2.745 20 0 GFADRO COC(=O)c1cc(S(=O)(=O)N2CCC[C@H](C)[C@@H]2C[NH3+])c(Cl)cc1Cl ZINC000237194377 655425844 /nfs/dbraw/zinc/42/58/44/655425844.db2.gz ZMEXTUIBXHSWMO-ZANVPECISA-N 1 0 395.308 2.528 20 0 GFADRO CC(=O)NCCN(Cc1ccc(Cl)cc1Cl)C(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000574199526 655426216 /nfs/dbraw/zinc/42/62/16/655426216.db2.gz HFRHCRNPTSYSPP-NEPJUHHUSA-N 1 0 389.327 2.767 20 0 GFADRO CS(=O)(=O)NCC[C@@H]1CCCC[N@@H+]1C[C@@H](O)c1ccc(Cl)cc1Cl ZINC000245610228 655428019 /nfs/dbraw/zinc/42/80/19/655428019.db2.gz BHBKBLIMKUWQSP-XJKSGUPXSA-N 1 0 395.352 2.821 20 0 GFADRO C[C@H]([NH2+][C@@H]1CC[C@@H](C)CC1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000246365790 655429790 /nfs/dbraw/zinc/42/97/90/655429790.db2.gz IVIUNSDEVFBBBG-DZKIICNBSA-N 1 0 388.555 2.642 20 0 GFADRO Cc1[nH+]ccc(N2CCC(N(CC(F)(F)F)S(C)(=O)=O)CC2)c1Cl ZINC000574802409 655431058 /nfs/dbraw/zinc/43/10/58/655431058.db2.gz CROQDGDFIGGCIO-UHFFFAOYSA-N 1 0 385.839 2.836 20 0 GFADRO CC(C)Oc1cc(Br)cc(C(=O)N[C@H](CO)C[NH+]2CCCCC2)c1 ZINC000574844529 655431958 /nfs/dbraw/zinc/43/19/58/655431958.db2.gz LWMXEQWZPXFDIA-INIZCTEOSA-N 1 0 399.329 2.813 20 0 GFADRO C[C@H]([NH2+]C[C@H](O)CN1C[C@@H](C)O[C@H](C)C1)c1ccc(Br)s1 ZINC000574896370 655433057 /nfs/dbraw/zinc/43/30/57/655433057.db2.gz NTWWTBXGKLOYFY-NDBYEHHHSA-N 1 0 377.348 2.631 20 0 GFADRO C[N@@H+]1CCC[C@H]2CN(Cn3c(=O)oc4cc(F)c(Br)cc43)CC[C@H]21 ZINC000248708020 655433052 /nfs/dbraw/zinc/43/30/52/655433052.db2.gz HZJXRBZHKIGWPC-SMDDNHRTSA-N 1 0 398.276 2.870 20 0 GFADRO CC1(C)C[NH2+]CC[C@H]1NC(=O)Nc1nnc(SCc2ccccc2)s1 ZINC000574904562 655433382 /nfs/dbraw/zinc/43/33/82/655433382.db2.gz FGXVCBLQRDIPBE-CYBMUJFWSA-N 1 0 377.539 3.340 20 0 GFADRO CN1CCO[C@H]([C@@H](NC(=O)c2cncc(Cl)n2)c2ccc(Cl)cc2)C1 ZINC000248849916 655433422 /nfs/dbraw/zinc/43/34/22/655433422.db2.gz SVZSEZFZJKWCGW-HOCLYGCPSA-N 1 0 381.263 2.585 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)c2nnc(-c3cc(Br)c[nH]3)n2C)[C@H](C)C1 ZINC000575789623 655437086 /nfs/dbraw/zinc/43/70/86/655437086.db2.gz YHYDEBJTSJRXIB-RISCZKNCSA-N 1 0 381.322 2.739 20 0 GFADRO CCC[N@H+](CC)C[C@@H](C)NC(=O)N[C@H](CO)c1cccc(Br)c1 ZINC000575795486 655437227 /nfs/dbraw/zinc/43/72/27/655437227.db2.gz XJIWCJIHCWYSAJ-CZUORRHYSA-N 1 0 386.334 2.902 20 0 GFADRO CC[C@H]1[NH2+]CC[C@@H]1C(=O)N1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000575799802 655437382 /nfs/dbraw/zinc/43/73/82/655437382.db2.gz VDHFTFPFONDDDH-JKSUJKDBSA-N 1 0 384.307 2.666 20 0 GFADRO CC[NH+]1CCN([C@H](C)CNC(=O)/C=C\c2cc(Br)ccc2F)CC1 ZINC000255139788 655437454 /nfs/dbraw/zinc/43/74/54/655437454.db2.gz JFBISKJNZSGMPG-HJHHMULASA-N 1 0 398.320 2.744 20 0 GFADRO O[C@H](C[NH2+]CCc1csc(N2CCCC2)n1)COc1ccccc1Cl ZINC000575981462 655441391 /nfs/dbraw/zinc/44/13/91/655441391.db2.gz NLXLFQXYGOZSAK-OAHLLOKOSA-N 1 0 381.929 2.969 20 0 GFADRO C[C@]([NH3+])(C(=O)N[C@@H]1COc2ccccc2C1)c1ccc(Br)cc1 ZINC000261801576 655442369 /nfs/dbraw/zinc/44/23/69/655442369.db2.gz RADZQKVOUWYPGM-MAUKXSAKSA-N 1 0 375.266 2.743 20 0 GFADRO CCOc1cc(Br)c(CC(=O)N2C[C@H](C[NH3+])C[C@H]2C)cc1OCC ZINC000261829200 655442480 /nfs/dbraw/zinc/44/24/80/655442480.db2.gz OECIFMNPJIMVDP-OLZOCXBDSA-N 1 0 399.329 2.985 20 0 GFADRO Cc1nc(CCC(=O)NCC2C[NH2+]C2)oc1-c1ccc(Br)cc1 ZINC000261936395 655442950 /nfs/dbraw/zinc/44/29/50/655442950.db2.gz MCSPOYGBRBOEBJ-UHFFFAOYSA-N 1 0 378.270 2.681 20 0 GFADRO O=C(NC[C@H]1CCCN(Cc2c(F)cccc2Br)C1)[C@H]1CCC[NH2+]1 ZINC000261931932 655443030 /nfs/dbraw/zinc/44/30/30/655443030.db2.gz LQAMIZNTLOSLKX-CXAGYDPISA-N 1 0 398.320 2.668 20 0 GFADRO COc1cc(C[NH2+]CCN2CCCC2=O)cc(Br)c1OC(F)F ZINC000576114197 655443803 /nfs/dbraw/zinc/44/38/03/655443803.db2.gz PMGSRGIULVOYGD-UHFFFAOYSA-N 1 0 393.228 2.771 20 0 GFADRO FC(F)Oc1ccc(Br)cc1CN1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000262135375 655444078 /nfs/dbraw/zinc/44/40/78/655444078.db2.gz ONIUKFSQLCILFR-CQSZACIVSA-N 1 0 390.272 2.530 20 0 GFADRO C[C@H](Cc1ccc(F)cc1Br)[NH2+]C[C@@H]1CC[C@H](C(=O)N(C)C)O1 ZINC000576142243 655444245 /nfs/dbraw/zinc/44/42/45/655444245.db2.gz GOUNFKHHSBTWDW-DIOULYMOSA-N 1 0 387.293 2.745 20 0 GFADRO [NH3+]CCNC(=O)c1ccccc1NC(=O)CCc1cc(Br)cs1 ZINC000262395504 655445489 /nfs/dbraw/zinc/44/54/89/655445489.db2.gz LHFNBSGHSAATSC-UHFFFAOYSA-N 1 0 396.310 2.770 20 0 GFADRO Cc1cc(C[NH2+]C[C@H](O)COc2ccc(Cl)cc2Br)on1 ZINC000576339661 655445955 /nfs/dbraw/zinc/44/59/55/655445955.db2.gz VIYGYANOFCSBRW-NSHDSACASA-N 1 0 375.650 2.928 20 0 GFADRO O[C@@H](C[NH2+]Cc1ccc(Br)cc1N1CCOCC1)CC(F)(F)F ZINC000576696034 655450984 /nfs/dbraw/zinc/45/09/84/655450984.db2.gz BMPJAJPWABJBOE-CYBMUJFWSA-N 1 0 397.235 2.689 20 0 GFADRO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N[C@@H](c1cccs1)c1ccc(Cl)cc1 ZINC000576703799 655451157 /nfs/dbraw/zinc/45/11/57/655451157.db2.gz RLLJYSBOZCSKIF-MQIPJXDCSA-N 1 0 379.913 2.849 20 0 GFADRO COCCN1CCC([NH2+][C@@H]2CCN(c3cccc(Br)c3)C2)CC1 ZINC000576726790 655451784 /nfs/dbraw/zinc/45/17/84/655451784.db2.gz CDXWQNJZIRTEJA-QGZVFWFLSA-N 1 0 382.346 2.728 20 0 GFADRO C[C@@H]1CC[NH2+][C@H](C)[C@H]1NCc1nc(Cc2cccc(Br)c2)no1 ZINC000577370801 655458035 /nfs/dbraw/zinc/45/80/35/655458035.db2.gz GONHILWFDICIDK-QFSBIZTOSA-N 1 0 379.302 2.899 20 0 GFADRO OC[C@H](C[NH2+]C[C@@H](O)COc1ccc(Cl)cc1)Cc1ccncc1Cl ZINC000577396603 655458714 /nfs/dbraw/zinc/45/87/14/655458714.db2.gz WEYYCLNRMCZWKM-XJKSGUPXSA-N 1 0 385.291 2.569 20 0 GFADRO O[C@@H](C[N@@H+]1CCC[C@@H](c2nnc3n2CCC3)C1)c1ccc(Br)cc1 ZINC000264234197 655459451 /nfs/dbraw/zinc/45/94/51/655459451.db2.gz SQSKJZDWJQLWMF-ZBFHGGJFSA-N 1 0 391.313 2.900 20 0 GFADRO CC[C@@H]1C[N@H+](C)CCCN1S(=O)(=O)c1ccc(C)c(Br)c1 ZINC000577562565 655461838 /nfs/dbraw/zinc/46/18/38/655461838.db2.gz HPZFQWFWWOSBKZ-CYBMUJFWSA-N 1 0 375.332 2.862 20 0 GFADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)c1csc(-c2cccc(Cl)c2)n1 ZINC000264443334 655463912 /nfs/dbraw/zinc/46/39/12/655463912.db2.gz OHTWZDYYWRVKFT-CYBMUJFWSA-N 1 0 378.929 2.829 20 0 GFADRO CC[C@H](C(=O)N(CCc1ccc(Cl)cc1)C[C@H](O)C(F)(F)F)[NH+](C)C ZINC000577670038 655464212 /nfs/dbraw/zinc/46/42/12/655464212.db2.gz XBOKIHSXHWQOHJ-CABCVRRESA-N 1 0 380.838 2.975 20 0 GFADRO Cc1c2cc(Br)ccc2oc1C(=O)N[C@H](C)CN1CC[NH+](C)CC1 ZINC000264482817 655464660 /nfs/dbraw/zinc/46/46/60/655464660.db2.gz WPYPGAHIRCVKIQ-GFCCVEGCSA-N 1 0 394.313 2.869 20 0 GFADRO Cc1nn(-c2cccc(Cl)c2)c(Cl)c1CNC[C@H]1C[N@@H+](C)CCN1C ZINC000264765816 655469948 /nfs/dbraw/zinc/46/99/48/655469948.db2.gz PVHITGPBPXBJSY-INIZCTEOSA-N 1 0 382.339 2.823 20 0 GFADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)N(Cc1ccc(Cl)c(Cl)c1)C1CC1 ZINC000264772674 655470251 /nfs/dbraw/zinc/47/02/51/655470251.db2.gz NWSSQONKROUCFF-OAHLLOKOSA-N 1 0 385.339 2.913 20 0 GFADRO C[C@H](Oc1ccc(Br)cc1)C(=O)N1CCNC[C@@H]1c1ccncc1 ZINC000578126795 655473056 /nfs/dbraw/zinc/47/30/56/655473056.db2.gz KQBDKNZFPOUGHH-SUMWQHHRSA-N 1 0 390.281 2.785 20 0 GFADRO CC[NH+]1CCC(CNC(=O)c2ccc(I)cc2F)CC1 ZINC000578216638 655474246 /nfs/dbraw/zinc/47/42/46/655474246.db2.gz OSGFVBODXXDXGR-UHFFFAOYSA-N 1 0 390.240 2.892 20 0 GFADRO CSc1ccc(OC[C@H](O)C[NH+]2CCC([C@H](O)C(F)(F)F)CC2)cc1 ZINC000578441713 655479127 /nfs/dbraw/zinc/47/91/27/655479127.db2.gz IBXUUUNYOWKHHD-CJNGLKHVSA-N 1 0 379.444 2.783 20 0 GFADRO CCOC(=O)CC[C@@H](O)C[NH2+][C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1 ZINC000578500082 655480440 /nfs/dbraw/zinc/48/04/40/655480440.db2.gz LHPXECAABRIGKO-GXTWGEPZSA-N 1 0 375.296 2.866 20 0 GFADRO CC[C@H]1C[N@H+](C)CCN1C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000578525091 655481034 /nfs/dbraw/zinc/48/10/34/655481034.db2.gz VBVACSFQGGFZGO-UONOGXRCSA-N 1 0 391.737 2.868 20 0 GFADRO Cc1cnc(N2CC[NH+](CCC(=O)N3CCc4sccc4C3)CC2)s1 ZINC000265422206 655483158 /nfs/dbraw/zinc/48/31/58/655483158.db2.gz JHDWGNJUTHHQMW-UHFFFAOYSA-N 1 0 376.551 2.610 20 0 GFADRO O=C(Nc1nc(C(F)(F)F)cs1)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000265477453 655484202 /nfs/dbraw/zinc/48/42/02/655484202.db2.gz NWKXFWVTWQLTKB-JTQLQIEISA-N 1 0 378.420 2.784 20 0 GFADRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]Cc3cc4c(c(Br)c3)OCO4)[C@H]2C1 ZINC000578672590 655484373 /nfs/dbraw/zinc/48/43/73/655484373.db2.gz MXHPKMSPAWUDRD-DZKIICNBSA-N 1 0 395.297 2.914 20 0 GFADRO O[C@H](C[NH2+]C1CCN(Cc2ccc(Br)cc2)CC1)C(F)(F)F ZINC000578740541 655486067 /nfs/dbraw/zinc/48/60/67/655486067.db2.gz MCCZHFJHLJWWAL-CQSZACIVSA-N 1 0 381.236 2.926 20 0 GFADRO CC1(C[NH2+]CCS(=O)(=O)c2cccc(Br)c2)CCOCC1 ZINC000578880430 655488483 /nfs/dbraw/zinc/48/84/83/655488483.db2.gz GSFULZLSENQHTC-UHFFFAOYSA-N 1 0 376.316 2.629 20 0 GFADRO O=c1c2cc(I)ccc2ncn1CCC[NH+]1CCCCC1 ZINC000579094767 655493700 /nfs/dbraw/zinc/49/37/00/655493700.db2.gz AHEUBZABERYRFW-UHFFFAOYSA-N 1 0 397.260 2.877 20 0 GFADRO CN(C[C@@H](O)c1cccc(Br)c1)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000840249399 661149595 /nfs/dbraw/zinc/14/95/95/661149595.db2.gz QLFSTTHHQIDIFX-QGZVFWFLSA-N 1 0 396.329 2.751 20 0 GFADRO CC[NH+]1CCC(CNC(=O)c2cc(F)ccc2I)CC1 ZINC000579133964 655494616 /nfs/dbraw/zinc/49/46/16/655494616.db2.gz WMPFCZBJWWNWMJ-UHFFFAOYSA-N 1 0 390.240 2.892 20 0 GFADRO CN(C1CC[NH+](CCOc2cc(Cl)cc(Cl)c2)CC1)S(C)(=O)=O ZINC000266007297 655494898 /nfs/dbraw/zinc/49/48/98/655494898.db2.gz QRRLBTXEMQNPED-UHFFFAOYSA-N 1 0 381.325 2.728 20 0 GFADRO C[C@@H]([NH3+])[C@H](C)NC(=O)c1ccccc1Sc1ccc(S(C)(=O)=O)cc1 ZINC000579247730 655496737 /nfs/dbraw/zinc/49/67/37/655496737.db2.gz UFJNAARGGVEHQE-OLZOCXBDSA-N 1 0 378.519 2.707 20 0 GFADRO C[C@H](CCc1ccc(I)cc1)[NH2+]CCN1CCCC1=O ZINC000579363625 655498334 /nfs/dbraw/zinc/49/83/34/655498334.db2.gz ZPQYLWXZYRCEOV-CYBMUJFWSA-N 1 0 386.277 2.824 20 0 GFADRO O=C(CC[NH2+]C[C@H](O)COc1cccc(Cl)c1Cl)Nc1cccnc1 ZINC000579423292 655499337 /nfs/dbraw/zinc/49/93/37/655499337.db2.gz JZTMWZBDXDNQBO-ZDUSSCGKSA-N 1 0 384.263 2.747 20 0 GFADRO [NH3+]C[C@@H]1CCCN(C(=O)C(=O)Nc2cccc(Cl)c2SCC(F)F)C1 ZINC000579931979 655505702 /nfs/dbraw/zinc/50/57/02/655505702.db2.gz CZXVZRBPWIRTKU-JTQLQIEISA-N 1 0 391.871 2.833 20 0 GFADRO CCOCC[C@H](O)C[NH2+]Cc1ccc(I)cc1Cl ZINC000580064438 655507564 /nfs/dbraw/zinc/50/75/64/655507564.db2.gz CZLVVKFWAYHMBT-LBPRGKRZSA-N 1 0 383.657 2.822 20 0 GFADRO Cc1ccc(Br)c(S(=O)(=O)N2CCC3(CC[NH2+]CC3)CC2)c1 ZINC000580073662 655507926 /nfs/dbraw/zinc/50/79/26/655507926.db2.gz RHRDYJRSERFPQM-UHFFFAOYSA-N 1 0 387.343 2.912 20 0 GFADRO CC[NH+]1CCC(CNC(=O)N(C)C[C@H](O)c2cccc(Br)c2)CC1 ZINC000840285643 661151440 /nfs/dbraw/zinc/15/14/40/661151440.db2.gz SKJKPEIAUCTGSZ-KRWDZBQOSA-N 1 0 398.345 2.856 20 0 GFADRO CCC[N@H+](CC)CCNC(=O)N(C)C[C@@H](O)c1cccc(Br)c1 ZINC000840315304 661154029 /nfs/dbraw/zinc/15/40/29/661154029.db2.gz WJIOGYNIHBHAOI-MRXNPFEDSA-N 1 0 386.334 2.856 20 0 GFADRO CC[NH+](CC)CCN(Cc1ccc(Cl)cc1)C(=O)N[C@H](C)C[S@@](C)=O ZINC000596554674 655516700 /nfs/dbraw/zinc/51/67/00/655516700.db2.gz GITOZELGVVWQJD-SGANQWHYSA-N 1 0 387.977 2.960 20 0 GFADRO CS[C@H]1CN(C(=O)c2cncc(Br)c2C)C[C@@H]1[NH+]1CCCC1 ZINC000597511282 655521097 /nfs/dbraw/zinc/52/10/97/655521097.db2.gz XVOOFOXCFOEZIA-GJZGRUSLSA-N 1 0 384.343 2.804 20 0 GFADRO C[C@@H]([NH2+]CC[C@H]1CCCS1(=O)=O)c1ccc(I)cc1 ZINC000714338306 655522868 /nfs/dbraw/zinc/52/28/68/655522868.db2.gz BIJPDZDRLQTPJY-BXUZGUMPSA-N 1 0 393.290 2.909 20 0 GFADRO O=C(NC12CC[NH+](CC1)C2)c1cc(Cl)ccc1I ZINC000715506160 655522917 /nfs/dbraw/zinc/52/29/17/655522917.db2.gz BEDYYQPCCLFFSI-UHFFFAOYSA-N 1 0 376.625 2.523 20 0 GFADRO Cc1sccc1C[NH2+]CC[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O ZINC000721754815 655525256 /nfs/dbraw/zinc/52/52/56/655525256.db2.gz UCNBBYBEGJJIOB-HNNXBMFYSA-N 1 0 388.555 2.570 20 0 GFADRO CC[N@H+](CCNC(=O)/C=C\c1ccc(I)o1)C(C)C ZINC000726630799 655537039 /nfs/dbraw/zinc/53/70/39/655537039.db2.gz SIXRVRLONMHONT-VURMDHGXSA-N 1 0 376.238 2.744 20 0 GFADRO Cc1ccc(/C=C\C(=O)NC[C@@H](C)N2CC[NH+](C)CC2)c(Br)c1 ZINC000726985461 655540488 /nfs/dbraw/zinc/54/04/88/655540488.db2.gz NAXWNSCVFBDTCJ-IDTUSYRASA-N 1 0 380.330 2.523 20 0 GFADRO CS(=O)(=O)c1cc(C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)ccc1Cl ZINC000727096982 655542077 /nfs/dbraw/zinc/54/20/77/655542077.db2.gz SLONJCXNMCSOOA-UHFFFAOYSA-N 1 0 376.825 2.577 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)[C@H]1CSCN1C(=O)OC(C)(C)C)c1ccsc1 ZINC000727128656 655542217 /nfs/dbraw/zinc/54/22/17/655542217.db2.gz GCKSGONWUQXSOD-UONOGXRCSA-N 1 0 385.555 2.777 20 0 GFADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)/C=C/c1ccc(C)cc1Br ZINC000727864834 655550310 /nfs/dbraw/zinc/55/03/10/655550310.db2.gz CILVLUFAIZTAIC-WAVCKPEOSA-N 1 0 381.314 2.998 20 0 GFADRO CC(C)[N@H+](C)CC1CCN(c2ncnc3c2c(Br)nn3C)CC1 ZINC000728050123 655552019 /nfs/dbraw/zinc/55/20/19/655552019.db2.gz IGRZMHOMCRVQAG-UHFFFAOYSA-N 1 0 381.322 2.682 20 0 GFADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]CCSC(C)(C)C ZINC000729680353 655566657 /nfs/dbraw/zinc/56/66/57/655566657.db2.gz FKLKQDILVPTAPS-GFCCVEGCSA-N 1 0 379.979 2.826 20 0 GFADRO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]CCSC(C)(C)C ZINC000729680354 655566663 /nfs/dbraw/zinc/56/66/63/655566663.db2.gz FKLKQDILVPTAPS-LBPRGKRZSA-N 1 0 379.979 2.826 20 0 GFADRO NC(C[NH+]1CCCCCC1)=NOCC(=O)Nc1ccc(Br)cc1 ZINC000730099193 655571700 /nfs/dbraw/zinc/57/17/00/655571700.db2.gz DUPIWBJWSKQRKA-UHFFFAOYSA-N 1 0 383.290 2.762 20 0 GFADRO C[NH+](C)CC(C)(C)CNC(=S)NC[C@@H](O)c1cccc(C(F)(F)F)c1 ZINC000730735584 655577578 /nfs/dbraw/zinc/57/75/78/655577578.db2.gz SIFJSKDDDWSSAA-CQSZACIVSA-N 1 0 377.476 2.791 20 0 GFADRO C[C@H]1CCC[C@H](C)[NH+]1CCNS(=O)(=O)c1c(Cl)nc2sccn21 ZINC000730814104 655578490 /nfs/dbraw/zinc/57/84/90/655578490.db2.gz HUEKXUVXPYCIAB-QWRGUYRKSA-N 1 0 376.935 2.590 20 0 GFADRO O=S(=O)(/C=C/c1ccccc1Br)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000731038610 655580884 /nfs/dbraw/zinc/58/08/84/655580884.db2.gz HRFJJQMGMVMZJS-TUPIDYKKSA-N 1 0 385.327 2.824 20 0 GFADRO CC[N@@H+]1CCCC[C@H]1CNC(=O)c1cn(-c2ccccc2Br)nn1 ZINC000732140196 655592252 /nfs/dbraw/zinc/59/22/52/655592252.db2.gz YIKCMIUXOJIYJO-ZDUSSCGKSA-N 1 0 392.301 2.634 20 0 GFADRO Cc1nn(-c2ccc(Cl)cc2)c(Cl)c1CNC[C@@H]1C[N@@H+](C)CCN1C ZINC000732230363 655593690 /nfs/dbraw/zinc/59/36/90/655593690.db2.gz GHOKLKWMVXOQFF-MRXNPFEDSA-N 1 0 382.339 2.823 20 0 GFADRO CN(CC(=O)NCc1cccs1)C[C@@H](O)c1ccc(Br)cc1 ZINC000732983401 655605446 /nfs/dbraw/zinc/60/54/46/655605446.db2.gz URQVKDAWCLEAQS-OAHLLOKOSA-N 1 0 383.311 2.792 20 0 GFADRO CC[N@H+](C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@@H](C)CS(=O)(=O)CC ZINC000733199244 655609283 /nfs/dbraw/zinc/60/92/83/655609283.db2.gz WPRNMNAFAIIYMH-HOTGVXAUSA-N 1 0 376.563 2.779 20 0 GFADRO CO[C@H](CNC(=O)NCC1CC[NH+](Cc2cccs2)CC1)C(F)(F)F ZINC000733344864 655613036 /nfs/dbraw/zinc/61/30/36/655613036.db2.gz MAZORXGJGHZPKT-CQSZACIVSA-N 1 0 379.448 2.837 20 0 GFADRO Cc1n[nH]c(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)c1Br ZINC000734133422 655626912 /nfs/dbraw/zinc/62/69/12/655626912.db2.gz DHHPYFHATOJNTL-AWEZNQCLSA-N 1 0 377.286 2.875 20 0 GFADRO O=S(=O)(/C=C\c1ccc(Cl)cc1)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000734243389 655628440 /nfs/dbraw/zinc/62/84/40/655628440.db2.gz FTZOGOPVCRBRGZ-YVJSUPCUSA-N 1 0 384.929 2.874 20 0 GFADRO C[S@](=O)CCC[NH2+]Cc1sc(N2CCOCC2)nc1-c1ccccc1 ZINC000735085370 655639033 /nfs/dbraw/zinc/63/90/33/655639033.db2.gz VPNVDCQEUNBQCK-VWLOTQADSA-N 1 0 379.551 2.505 20 0 GFADRO O=C(/C=C/c1ccc(Br)o1)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000736233619 655660388 /nfs/dbraw/zinc/66/03/88/655660388.db2.gz ZXOGDRRUGLSOKN-OHVSUOQFSA-N 1 0 383.286 2.672 20 0 GFADRO C[NH+](C)CCN(Cc1ccc(F)c(F)c1)S(=O)(=O)c1cccnc1Cl ZINC000738364498 655689875 /nfs/dbraw/zinc/68/98/75/655689875.db2.gz AVLXETIOEAWGDM-UHFFFAOYSA-N 1 0 389.855 2.766 20 0 GFADRO COCC[N@H+](C)CCCNC(=S)N[C@H](C)c1ccc(Br)cc1 ZINC000840714661 661177923 /nfs/dbraw/zinc/17/79/23/661177923.db2.gz XPSOSGCBNBORPM-CYBMUJFWSA-N 1 0 388.375 2.943 20 0 GFADRO Cc1nc(-c2ccc(Br)cc2)nn1CN1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000742162681 655710772 /nfs/dbraw/zinc/71/07/72/655710772.db2.gz XNWHRGCZLLJXAT-QGZVFWFLSA-N 1 0 388.313 2.920 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)COc2ccc(C=O)cc2Br)C[C@H]1C ZINC000742697557 655720366 /nfs/dbraw/zinc/72/03/66/655720366.db2.gz DQJPBPDATCNNBF-UKRRQHHQSA-N 1 0 397.313 2.972 20 0 GFADRO CCC[NH+]1CCC(NC(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)CC1 ZINC000743075041 655726086 /nfs/dbraw/zinc/72/60/86/655726086.db2.gz XHKOYKHHPAWBSX-UHFFFAOYSA-N 1 0 375.441 2.679 20 0 GFADRO C[C@H](c1ccc(Br)cc1)N1CC[NH+](CCCN2CCOC2=O)CC1 ZINC000743851770 655732260 /nfs/dbraw/zinc/73/22/60/655732260.db2.gz MVOZHOZBYLZIBX-OAHLLOKOSA-N 1 0 396.329 2.970 20 0 GFADRO C[C@@H]1CCC[N@@H+]1CCNC(=O)C1CCN(C(=O)c2ccc(Cl)s2)CC1 ZINC000744345224 655739319 /nfs/dbraw/zinc/73/93/19/655739319.db2.gz LOPWKRROPIESNC-CYBMUJFWSA-N 1 0 383.945 2.854 20 0 GFADRO O=C(NCCc1ccc(Br)cc1F)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000745809874 655755068 /nfs/dbraw/zinc/75/50/68/655755068.db2.gz BDTUIQVKJNBJIX-OAHLLOKOSA-N 1 0 382.277 2.786 20 0 GFADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)C1(c2ccc(Br)cc2)CCC1 ZINC000747231077 655774636 /nfs/dbraw/zinc/77/46/36/655774636.db2.gz FJOGISBQOFQABB-SJORKVTESA-N 1 0 393.325 2.850 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CNC(=S)NCc1c(Cl)cccc1-n1ccnc1 ZINC000840766586 661185330 /nfs/dbraw/zinc/18/53/30/661185330.db2.gz CEHRQXPHWOOXGI-CQSZACIVSA-N 1 0 377.945 2.974 20 0 GFADRO O=C(OCCC[NH+]1CCCCC1)c1cccc(S(=O)(=O)CC(F)F)c1 ZINC000747758875 655783086 /nfs/dbraw/zinc/78/30/86/655783086.db2.gz RIAVKLSXORNDKI-UHFFFAOYSA-N 1 0 375.437 2.758 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CNC(=S)NNc1cc(OC)ccc1Br ZINC000840868577 661196781 /nfs/dbraw/zinc/19/67/81/661196781.db2.gz AZNXYTDFFMDUCV-NSHDSACASA-N 1 0 387.347 2.733 20 0 GFADRO O=c1oc2ccc(Br)cc2n1CN1CCN(c2cc[nH+]cc2)CC1 ZINC000749936723 655809167 /nfs/dbraw/zinc/80/91/67/655809167.db2.gz GKZJDACGLRUOKH-UHFFFAOYSA-N 1 0 389.253 2.532 20 0 GFADRO COC(=O)[C@@H](c1ccc(Cl)cc1Cl)N1CC[NH+](CCCCO)CC1 ZINC000750053125 655810717 /nfs/dbraw/zinc/81/07/17/655810717.db2.gz LMQYUXOMMOVDSL-MRXNPFEDSA-N 1 0 375.296 2.598 20 0 GFADRO O=S(=O)(c1cc2ccc(Cl)nc2cc1F)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000750154144 655811776 /nfs/dbraw/zinc/81/17/76/655811776.db2.gz BXXRIRDHKWFCKL-ZDUSSCGKSA-N 1 0 383.876 2.886 20 0 GFADRO O=S(=O)(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1cc2ccc(Cl)nc2cc1F ZINC000750155436 655811881 /nfs/dbraw/zinc/81/18/81/655811881.db2.gz MGEUMJDBZAZWPD-HIFRSBDPSA-N 1 0 383.876 2.932 20 0 GFADRO CC(C)[NH2+][C@@H]1CCCN(C(=O)CCN2C(=S)N=NC2c2cccs2)C1 ZINC000750653242 655816041 /nfs/dbraw/zinc/81/60/41/655816041.db2.gz JFBWSWQZPUJKPD-CYBMUJFWSA-N 1 0 379.555 2.674 20 0 GFADRO O=C(NCCSC(F)(F)F)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000751606660 655831589 /nfs/dbraw/zinc/83/15/89/655831589.db2.gz MIWSHNRDZQMVQX-UHFFFAOYSA-N 1 0 383.480 2.821 20 0 GFADRO C[C@@H](NC(=O)C[NH2+][C@@H](C)c1cccc(NS(C)(=O)=O)c1)c1cccs1 ZINC000753913034 655860929 /nfs/dbraw/zinc/86/09/29/655860929.db2.gz SQORDDWRIGVZOI-QWHCGFSZSA-N 1 0 381.523 2.648 20 0 GFADRO CC[NH+](CC)CCCNS(=O)(=O)c1cc(Br)cc(F)c1OC ZINC000754029126 655862244 /nfs/dbraw/zinc/86/22/44/655862244.db2.gz GZYVUAPZYREUAZ-UHFFFAOYSA-N 1 0 397.310 2.607 20 0 GFADRO COC(=O)[C@@H]1CN(C(=S)Nc2ccc(Cl)cc2Cl)CC[N@H+](C)C1 ZINC000840854838 661195979 /nfs/dbraw/zinc/19/59/79/661195979.db2.gz GTFJFWPIIRMICB-JTQLQIEISA-N 1 0 376.309 2.727 20 0 GFADRO C[NH+](C)CC(C)(C)CNC(=S)N1CC(=O)Nc2ccc(Br)cc21 ZINC000755404085 655883017 /nfs/dbraw/zinc/88/30/17/655883017.db2.gz VWFKNJXGBBHYHC-UHFFFAOYSA-N 1 0 399.358 2.670 20 0 GFADRO Cc1ccc(N2N=C(Br)C[C@H]2C(=O)N(C)C2CC[NH+](C)CC2)cc1 ZINC000756038730 655893664 /nfs/dbraw/zinc/89/36/64/655893664.db2.gz PPTNKXQAILALCF-INIZCTEOSA-N 1 0 393.329 2.835 20 0 GFADRO Cc1ccc(N2N=C(Br)C[C@@H]2C(=O)N(C)C2CC[NH+](C)CC2)cc1 ZINC000756038734 655893667 /nfs/dbraw/zinc/89/36/67/655893667.db2.gz PPTNKXQAILALCF-MRXNPFEDSA-N 1 0 393.329 2.835 20 0 GFADRO CCOC(=O)/C=C/C[N@@H+]1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000756091263 655894559 /nfs/dbraw/zinc/89/45/59/655894559.db2.gz FINLFXUTNBYNSL-BPJJOFIESA-N 1 0 396.285 2.614 20 0 GFADRO C[C@H]1CCC[N@@H+]1CCNC(=O)c1cn(-c2ccc(Br)cc2)cn1 ZINC000756810343 655905581 /nfs/dbraw/zinc/90/55/81/655905581.db2.gz GHJGNIOCPZCAOU-ZDUSSCGKSA-N 1 0 377.286 2.849 20 0 GFADRO COC(=O)c1cc(S(=O)(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)ccc1Cl ZINC000757493122 655912507 /nfs/dbraw/zinc/91/25/07/655912507.db2.gz WLWUZHFBIIHBBG-CYBMUJFWSA-N 1 0 388.917 2.525 20 0 GFADRO C[NH+]1CCN(c2ccccc2NC(=O)c2ccnc(Br)c2)CC1 ZINC000757634970 655913931 /nfs/dbraw/zinc/91/39/31/655913931.db2.gz OIWWVTLNNYCMHW-UHFFFAOYSA-N 1 0 375.270 2.848 20 0 GFADRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)Nc1cccc(I)c1 ZINC000757798390 655916800 /nfs/dbraw/zinc/91/68/00/655916800.db2.gz WOBWPJKONJAHRL-HZMBPMFUSA-N 1 0 385.249 2.895 20 0 GFADRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2cc(Br)nn2C)C1 ZINC000757856263 655917552 /nfs/dbraw/zinc/91/75/52/655917552.db2.gz DLAGHLLHPCYBRP-GXTWGEPZSA-N 1 0 377.286 2.748 20 0 GFADRO O=C(C[C@@H]1CSCCS1)NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000758101269 655923037 /nfs/dbraw/zinc/92/30/37/655923037.db2.gz NYDMUWMHULBDDR-IAGOWNOFSA-N 1 0 382.620 2.959 20 0 GFADRO C[C@@H]1CCC[N@@H+]1CCNS(=O)(=O)c1ccc(Cl)c(Br)c1 ZINC000758159164 655924596 /nfs/dbraw/zinc/92/45/96/655924596.db2.gz IZYRUJATZXJBEN-SNVBAGLBSA-N 1 0 381.723 2.865 20 0 GFADRO Cc1cc(C[NH2+]C2CCN(CCS(C)(=O)=O)CC2)ccc1C(F)(F)F ZINC000840898792 661204287 /nfs/dbraw/zinc/20/42/87/661204287.db2.gz XCMCAOHPLFYWEQ-UHFFFAOYSA-N 1 0 378.460 2.612 20 0 GFADRO C[C@@H](C[C@@H](O)c1ccc(F)cc1)[NH2+]Cc1ccc(S(N)(=O)=O)c(Cl)c1 ZINC000840906276 661204588 /nfs/dbraw/zinc/20/45/88/661204588.db2.gz FMKPJCBABVPBBW-MEDUHNTESA-N 1 0 386.876 2.728 20 0 GFADRO CS(=O)(=O)c1ccc(C[NH2+]C[C@@H](O)c2cccc(Br)c2)s1 ZINC000840905773 661204642 /nfs/dbraw/zinc/20/46/42/661204642.db2.gz AMBZZIOCNZGRRA-CYBMUJFWSA-N 1 0 390.324 2.737 20 0 GFADRO CN(C)c1ncc(C[NH2+]C[C@](O)(c2ccc(Cl)cc2)C(F)(F)F)n1C ZINC000840906535 661204680 /nfs/dbraw/zinc/20/46/80/661204680.db2.gz ZLSFGNYWYXPEHT-HNNXBMFYSA-N 1 0 376.810 2.679 20 0 GFADRO C[C@@H](c1cccc(S(N)(=O)=O)c1)[N@H+](C)C[C@@H](O)c1ccc(Cl)c(F)c1 ZINC000759850514 655965097 /nfs/dbraw/zinc/96/50/97/655965097.db2.gz JGEMMBXEACUCGB-APPDUMDISA-N 1 0 386.876 2.853 20 0 GFADRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1cnn(-c2ccccc2)c1Br ZINC000760373837 655977982 /nfs/dbraw/zinc/97/79/82/655977982.db2.gz YQWMPZOMUOWOGC-WBMJQRKESA-N 1 0 389.297 2.847 20 0 GFADRO C[NH+]1CCC(CNC(=S)NCCOc2ccccc2C(F)(F)F)CC1 ZINC000760486808 655982279 /nfs/dbraw/zinc/98/22/79/655982279.db2.gz XQCMGPXFHAWJLT-UHFFFAOYSA-N 1 0 375.460 2.890 20 0 GFADRO C[C@H](CNS(=O)(=O)c1ccc2nc(Cl)cnc2c1)[N@@H+]1CCC[C@H](C)C1 ZINC000760855223 655993627 /nfs/dbraw/zinc/99/36/27/655993627.db2.gz PWKQYRWHGYGTOE-QWHCGFSZSA-N 1 0 382.917 2.682 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@@H](N2C(=O)N[C@@H](c3ccc(Br)cc3)C2=O)C1 ZINC000761321483 656011516 /nfs/dbraw/zinc/01/15/16/656011516.db2.gz QUZMIVGWJZUYJI-KFWWJZLASA-N 1 0 380.286 2.915 20 0 GFADRO CC(C)[NH+]1CCC(NC(=O)COC(=O)c2cc(Cl)c(N)c(Cl)c2)CC1 ZINC000761438314 656015657 /nfs/dbraw/zinc/01/56/57/656015657.db2.gz UJHGZGPGYFPIRP-UHFFFAOYSA-N 1 0 388.295 2.721 20 0 GFADRO Cc1n[nH]c(C(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c1Br ZINC000762547841 656048049 /nfs/dbraw/zinc/04/80/49/656048049.db2.gz MVYKYLBNAYKONM-AWEZNQCLSA-N 1 0 377.286 2.827 20 0 GFADRO CN(C)c1ncc(C[NH2+]C(C)(C)[C@@H](O)c2ccc(Br)cc2)cn1 ZINC000762786208 656058743 /nfs/dbraw/zinc/05/87/43/656058743.db2.gz JEYSXWSKVJBMHC-HNNXBMFYSA-N 1 0 379.302 2.907 20 0 GFADRO Cc1sc(Cl)nc1C(=O)N[C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000762863452 656061231 /nfs/dbraw/zinc/06/12/31/656061231.db2.gz GDGKDRZZTIAIKH-OAHLLOKOSA-N 1 0 378.929 2.823 20 0 GFADRO O=S(=O)(CC[NH2+]Cc1ccc(OC(F)F)c(Br)c1)C1CC1 ZINC000840966743 661221859 /nfs/dbraw/zinc/22/18/59/661221859.db2.gz ZMPWRCKAHNTIAK-UHFFFAOYSA-N 1 0 384.242 2.717 20 0 GFADRO Cc1cc(NC(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)cnc1Br ZINC000763879766 656095414 /nfs/dbraw/zinc/09/54/14/656095414.db2.gz YLVIMRRVDMCSPF-ZDUSSCGKSA-N 1 0 385.306 2.775 20 0 GFADRO CCCN(C(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1)C1CC[NH2+]CC1 ZINC000841013636 661226434 /nfs/dbraw/zinc/22/64/34/661226434.db2.gz RYUABVMIUSGXDX-UHFFFAOYSA-N 1 0 375.441 2.679 20 0 GFADRO CC(C)[NH+]1CCC(NC(=O)CN2Cc3ccc(Br)cc3C2)CC1 ZINC000765056908 656128451 /nfs/dbraw/zinc/12/84/51/656128451.db2.gz PYVUHVLPBWNWCC-UHFFFAOYSA-N 1 0 380.330 2.754 20 0 GFADRO COc1ccc(S(=O)(=O)N2CCC([NH2+][C@H](C)c3cncs3)CC2)cc1 ZINC000765434115 656143004 /nfs/dbraw/zinc/14/30/04/656143004.db2.gz QAEJCPILJYWXNO-CYBMUJFWSA-N 1 0 381.523 2.656 20 0 GFADRO CC[S@](=O)CC[NH2+][C@@H]1CCCOc2ccc(I)cc21 ZINC000765942853 656155928 /nfs/dbraw/zinc/15/59/28/656155928.db2.gz KLJCUIINPYLWST-YJYMSZOUSA-N 1 0 393.290 2.863 20 0 GFADRO O=C1c2ccc(Br)cc2C(=O)N1CN1CCC[C@@H]1C[NH+]1CCCC1 ZINC000766096504 656161570 /nfs/dbraw/zinc/16/15/70/656161570.db2.gz WPIXYQBXCKSJHU-CQSZACIVSA-N 1 0 392.297 2.563 20 0 GFADRO O=S(=O)(c1ccc(OCC[NH2+]CC2(O)CCCCC2)cc1)C(F)(F)F ZINC000766734293 656181839 /nfs/dbraw/zinc/18/18/39/656181839.db2.gz MFIRVJHCSMTMSD-UHFFFAOYSA-N 1 0 381.416 2.644 20 0 GFADRO C[C@@H]1CN(C(=O)C(=O)Nc2ccc3cc(Br)ccc3c2)CC[C@H]1[NH3+] ZINC000841176118 661241569 /nfs/dbraw/zinc/24/15/69/661241569.db2.gz LLTCUCINVZKXSD-BDJLRTHQSA-N 1 0 390.281 2.737 20 0 GFADRO C[NH2+]C[C@H]1CCCN1C(=O)Nc1cnc(Br)c(Br)c1 ZINC000841141733 661237021 /nfs/dbraw/zinc/23/70/21/661237021.db2.gz JCLUFKFJLJVJHC-SECBINFHSA-N 1 0 392.095 2.822 20 0 GFADRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)Nc1cnc(Br)c(Br)c1 ZINC000841142461 661237820 /nfs/dbraw/zinc/23/78/20/661237820.db2.gz PMTWQNXHGHHAOM-SFYZADRCSA-N 1 0 392.095 2.808 20 0 GFADRO C[C@@H]1CN(C(=O)C(=O)Nc2cccc(Cl)c2SC(F)F)CC[C@H]1[NH3+] ZINC000841179825 661241931 /nfs/dbraw/zinc/24/19/31/661241931.db2.gz SDXUYEQGSXSDRV-PSASIEDQSA-N 1 0 377.844 2.789 20 0 GFADRO C[C@H](NC(=O)C(=O)Nc1ccccc1SC(F)(F)F)[C@H]1CCC[NH2+]C1 ZINC000841158413 661239699 /nfs/dbraw/zinc/23/96/99/661239699.db2.gz GFVXHTXIKHYKDM-QWRGUYRKSA-N 1 0 375.416 2.741 20 0 GFADRO CN(CCC[NH3+])C(=O)C(=O)Nc1ccccc1SC[C@@H]1CC1(Cl)Cl ZINC000841181310 661242044 /nfs/dbraw/zinc/24/20/44/661242044.db2.gz AGRRYYKBRQUKDE-NSHDSACASA-N 1 0 390.336 2.718 20 0 GFADRO C[NH+](C)[C@H](CNC(=S)NC[C@@H]1CCOC1)c1cccc(C(F)(F)F)c1 ZINC000768786435 656251550 /nfs/dbraw/zinc/25/15/50/656251550.db2.gz SNQHSVDZCNGAND-SWLSCSKDSA-N 1 0 375.460 2.809 20 0 GFADRO COC[C@@]1(CNC(=O)Nc2cnc(Cl)c(Br)c2C)CCC[NH2+]1 ZINC000841192705 661243188 /nfs/dbraw/zinc/24/31/88/661243188.db2.gz UPIZIHIMKSJDQZ-AWEZNQCLSA-N 1 0 391.697 2.696 20 0 GFADRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)Nc1cccc(Cl)c1SC(F)F ZINC000841201696 661243980 /nfs/dbraw/zinc/24/39/80/661243980.db2.gz USGYTVYBBYJXED-IUCAKERBSA-N 1 0 377.844 2.789 20 0 GFADRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)Nc1cccc(Cl)c1SC(F)F ZINC000841206437 661244357 /nfs/dbraw/zinc/24/43/57/661244357.db2.gz KBRFYKGNESDUNV-DTWKUNHWSA-N 1 0 377.844 2.802 20 0 GFADRO C[C@]1(CNC(=O)C(=O)Nc2ccccc2SC(F)(F)F)CCC[NH2+]C1 ZINC000841210596 661244683 /nfs/dbraw/zinc/24/46/83/661244683.db2.gz FDGRZEYEUDXYSP-HNNXBMFYSA-N 1 0 375.416 2.743 20 0 GFADRO C[NH+](C)CC(C)(C)CN(C(=O)c1cnsn1)c1ccc(Br)cn1 ZINC000841216352 661244916 /nfs/dbraw/zinc/24/49/16/661244916.db2.gz IOAMMHMIXDVEOX-UHFFFAOYSA-N 1 0 398.330 2.930 20 0 GFADRO OCCCC[NH+]1CCN(CC2=Cc3cc(Br)ccc3OC2)CC1 ZINC000769396233 656273585 /nfs/dbraw/zinc/27/35/85/656273585.db2.gz YMDPOKCJWAQMMA-UHFFFAOYSA-N 1 0 381.314 2.615 20 0 GFADRO [NH3+]CC[C@H]1CCCN(C(=O)C(=O)Nc2ccccc2SC(F)(F)F)C1 ZINC000841232402 661246524 /nfs/dbraw/zinc/24/65/24/661246524.db2.gz QPDBGLFIOBLCJC-LLVKDONJSA-N 1 0 375.416 2.824 20 0 GFADRO O[C@H](C[NH2+][C@@H]1CCCC[C@@H]1N1CCOCC1)c1ccccc1Br ZINC000769799227 656291969 /nfs/dbraw/zinc/29/19/69/656291969.db2.gz FCRUFCWTMUIPJF-FGTMMUONSA-N 1 0 383.330 2.716 20 0 GFADRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)Nc1cc(C(F)(F)F)cc(Br)n1 ZINC000841242620 661248247 /nfs/dbraw/zinc/24/82/47/661248247.db2.gz YLSVADLLEAKKRM-VXNVDRBHSA-N 1 0 381.196 2.982 20 0 GFADRO CSc1nc2ccc(NC(=O)C(=O)NCCC[C@@H]3CCC[NH2+]3)cc2s1 ZINC000841258233 661249870 /nfs/dbraw/zinc/24/98/70/661249870.db2.gz DSTUOTOQOFAXNU-NSHDSACASA-N 1 0 378.523 2.605 20 0 GFADRO CCC[NH+]1CCN(c2ccc(N[C@@H]3CCCS(=O)(=O)C3)cc2Cl)CC1 ZINC000770509387 656321674 /nfs/dbraw/zinc/32/16/74/656321674.db2.gz KWLKRYBVFWFSFH-MRXNPFEDSA-N 1 0 385.961 2.861 20 0 GFADRO NC(=O)NC(=O)OCCC[N@H+](Cc1cc(Br)ccc1F)C1CC1 ZINC000772175495 656374689 /nfs/dbraw/zinc/37/46/89/656374689.db2.gz PDBSDQMZZAYHEC-UHFFFAOYSA-N 1 0 388.237 2.748 20 0 GFADRO O=S(=O)(CC[NH2+][C@H]1CCCc2c3ccccc3sc21)N1CCOCC1 ZINC000772960955 656395743 /nfs/dbraw/zinc/39/57/43/656395743.db2.gz LXUQMNOIJWPRII-INIZCTEOSA-N 1 0 380.535 2.530 20 0 GFADRO O=S(=O)(CC[NH2+][C@@H]1CCc2c1cc(Br)cc2F)CC1CC1 ZINC000773065627 656398503 /nfs/dbraw/zinc/39/85/03/656398503.db2.gz MRQTVKASENVLDK-OAHLLOKOSA-N 1 0 376.291 2.990 20 0 GFADRO C[C@H]([NH2+][C@@H]1CC[C@@H]2SCCS[C@H]12)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000773134379 656400990 /nfs/dbraw/zinc/40/09/90/656400990.db2.gz IUKHGUCALSSBDM-NKKGCODLSA-N 1 0 386.608 2.967 20 0 GFADRO C[N@@H+]1CC[C@H]2[C@H](CCCN2Cn2c(=O)oc3cc(Br)c(F)cc32)C1 ZINC000773316184 656410928 /nfs/dbraw/zinc/41/09/28/656410928.db2.gz YSVBXRXUDURUGF-RISCZKNCSA-N 1 0 398.276 2.870 20 0 GFADRO O=C(NC[C@@H]1C[N@@H+]2CCN1CCC2)c1ccc(C2SCCCS2)cc1 ZINC000773530421 656457301 /nfs/dbraw/zinc/45/73/01/656457301.db2.gz LFKBSSWSGMZBOL-QGZVFWFLSA-N 1 0 377.579 2.675 20 0 GFADRO CN1CCC2(CC[NH+](Cc3ccccc3I)CC2)C1=O ZINC000775203911 656614947 /nfs/dbraw/zinc/61/49/47/656614947.db2.gz KSARLPRLFLAXJR-UHFFFAOYSA-N 1 0 384.261 2.736 20 0 GFADRO O=S(=O)(NCC[NH2+][C@@H]1CC[C@H]2SCCS[C@H]12)c1cccc(Cl)c1 ZINC000775381817 656634342 /nfs/dbraw/zinc/63/43/42/656634342.db2.gz NAVYTLNORVPMRS-RBSFLKMASA-N 1 0 392.999 2.588 20 0 GFADRO C[C@H](CN1CCN(c2ccccn2)CC1)[NH2+][C@@H]1CC[C@H]2SCCS[C@@H]12 ZINC000775392627 656636314 /nfs/dbraw/zinc/63/63/14/656636314.db2.gz HYRVMCXDBULITP-MTNOOBJLSA-N 1 0 378.611 2.561 20 0 GFADRO c1ccc(C[C@H](CN2CCOCC2)[NH2+][C@@H]2CC[C@@H]3SCCS[C@H]23)cc1 ZINC000775387437 656636334 /nfs/dbraw/zinc/63/63/34/656636334.db2.gz MNYYKPCAYPRHQA-YSTOQKLRSA-N 1 0 378.607 2.899 20 0 GFADRO O=S1(=O)CC[C@@H]([NH2+]CCOc2cccnc2)c2cc(Br)ccc21 ZINC000775508711 656645024 /nfs/dbraw/zinc/64/50/24/656645024.db2.gz WJQQQPVEXZZVKW-OAHLLOKOSA-N 1 0 397.294 2.731 20 0 GFADRO COC(=O)[C@H]1CCCC[C@]1(C)[NH2+]Cc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000775993695 656701286 /nfs/dbraw/zinc/70/12/86/656701286.db2.gz WPBOLOLEHURWPN-PBHICJAKSA-N 1 0 375.437 2.894 20 0 GFADRO COC(=O)N1CCC([C@@H](C)[NH2+]C[C@H](O)c2ccc(Br)cc2)CC1 ZINC000776808390 656796525 /nfs/dbraw/zinc/79/65/25/656796525.db2.gz QMBMDIGZYBTUFL-WBMJQRKESA-N 1 0 385.302 2.939 20 0 GFADRO C[NH+](C)CCCNC(=S)N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1 ZINC000777917907 656842549 /nfs/dbraw/zinc/84/25/49/656842549.db2.gz VAOXQIYUMDPDAU-LBPRGKRZSA-N 1 0 375.369 2.988 20 0 GFADRO CC(C)N(CCC[NH2+][C@H](C)C1CCS(=O)(=O)CC1)C(=O)OC(C)(C)C ZINC000779022156 656897659 /nfs/dbraw/zinc/89/76/59/656897659.db2.gz NHICKHVJLQXAPS-OAHLLOKOSA-N 1 0 376.563 2.825 20 0 GFADRO CCOC(=O)C(F)(F)[C@H]1CCC[C@H]([NH2+]CCC2CCS(=O)(=O)CC2)C1 ZINC000779415272 656925756 /nfs/dbraw/zinc/92/57/56/656925756.db2.gz JXHPHWFIWFLHQX-GJZGRUSLSA-N 1 0 381.485 2.548 20 0 GFADRO COC(=O)/C=C1\SCC(=O)N1CCC[N@@H+]1C[C@H](C(F)(F)F)CC[C@@H]1C ZINC000780386595 657002846 /nfs/dbraw/zinc/00/28/46/657002846.db2.gz VXGDKZGMRRXDDX-UARQWIGASA-N 1 0 380.432 2.629 20 0 GFADRO CN(C)C(=O)CC[NH+]1CCN(Cc2cccc(SC(F)(F)F)c2)CC1 ZINC000781336104 657052709 /nfs/dbraw/zinc/05/27/09/657052709.db2.gz NNJYMNMRVGYUHM-UHFFFAOYSA-N 1 0 375.460 2.894 20 0 GFADRO CS[C@H]1CN(S(=O)(=O)c2cccc3c2CCCC3)C[C@H]1[NH+]1CCCC1 ZINC000782483887 657149009 /nfs/dbraw/zinc/14/90/09/657149009.db2.gz RLNTYCFKRJIRGB-MSOLQXFVSA-N 1 0 380.579 2.766 20 0 GFADRO CS[C@H]1CN(S(=O)(=O)c2c(Cl)ccnc2Cl)C[C@@H]1[NH+]1CCCC1 ZINC000782480665 657149166 /nfs/dbraw/zinc/14/91/66/657149166.db2.gz CRTLHZQUKGBLDH-RYUDHWBXSA-N 1 0 396.365 2.589 20 0 GFADRO Cn1nc(C(F)(F)F)c(CN2CCO[C@H]3C[C@H]([NH+](C)C)CC[C@@H]32)c1Cl ZINC000782484097 657149185 /nfs/dbraw/zinc/14/91/85/657149185.db2.gz CFAUBDDBFRTJMV-WXHSDQCUSA-N 1 0 380.842 2.776 20 0 GFADRO Cc1ccc([C@@H](O)C[NH2+]C[C@@H](O)COc2cc(F)cc(Br)c2)cc1 ZINC000783962623 657277954 /nfs/dbraw/zinc/27/79/54/657277954.db2.gz YDALAXSJUKFURF-AEFFLSMTSA-N 1 0 398.272 2.960 20 0 GFADRO CCCN(CC[NH+](CC)CC)C(=O)C(=O)Nc1cnc(Br)cc1C ZINC000785030698 657338142 /nfs/dbraw/zinc/33/81/42/657338142.db2.gz OTZFRTAFUAJUMA-UHFFFAOYSA-N 1 0 399.333 2.671 20 0 GFADRO Cn1nc(Br)cc1CNC1CC[NH+](CCc2ccccc2)CC1 ZINC000785417148 657362841 /nfs/dbraw/zinc/36/28/41/657362841.db2.gz BYMSXNJVICSSHG-UHFFFAOYSA-N 1 0 377.330 2.979 20 0 GFADRO COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)NCC[N@@H+]1CCC[C@H]1C ZINC000786869026 657477532 /nfs/dbraw/zinc/47/75/32/657477532.db2.gz QPESVHXJUJVVKY-ZIAGYGMSSA-N 1 0 390.933 2.516 20 0 GFADRO O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)c1ncc(Br)cn1 ZINC000786998746 657502817 /nfs/dbraw/zinc/50/28/17/657502817.db2.gz KNDHHDGMQGFZJQ-OAHLLOKOSA-N 1 0 375.270 2.806 20 0 GFADRO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@]1(O)CCCc2ccccc21 ZINC000787763292 657596142 /nfs/dbraw/zinc/59/61/42/657596142.db2.gz KPJBSHWAUCOUHY-IFXJQAMLSA-N 1 0 391.309 2.813 20 0 GFADRO COc1cc(C(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)cnc1Br ZINC000788161586 657662756 /nfs/dbraw/zinc/66/27/56/657662756.db2.gz SSLFOWWCTGKALJ-CHWSQXEVSA-N 1 0 384.318 2.951 20 0 GFADRO C[NH+](C)CCCNC(=S)N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1 ZINC000788679283 657772110 /nfs/dbraw/zinc/77/21/10/657772110.db2.gz HSVXHFMSWZBGDQ-ZDUSSCGKSA-N 1 0 375.369 2.988 20 0 GFADRO COc1cccc(CN(CC[NH+](C)C)C(=O)NC[C@@H]2CSCCS2)c1 ZINC000790421018 657972891 /nfs/dbraw/zinc/97/28/91/657972891.db2.gz MIXKIOZSZKDCNK-QGZVFWFLSA-N 1 0 383.583 2.617 20 0 GFADRO COCC[N@H+](Cn1nc(C(=O)OC)c(Br)c1C)[C@@H]1CC[C@@H](C)C1 ZINC000790480306 657992063 /nfs/dbraw/zinc/99/20/63/657992063.db2.gz SKYJKNYDSIWZPA-DGCLKSJQSA-N 1 0 388.306 2.835 20 0 GFADRO C[C@@H]1CC[N@H+](CCNC(=O)c2nc(Br)ccc2Br)C1 ZINC000790701559 658014356 /nfs/dbraw/zinc/01/43/56/658014356.db2.gz NCMQLXHITLDCTI-SECBINFHSA-N 1 0 391.107 2.678 20 0 GFADRO COC(=O)c1cc(S(=O)(=O)NCC(C)(C)C[NH+]2CCCC2)ccc1Cl ZINC000790936255 658047103 /nfs/dbraw/zinc/04/71/03/658047103.db2.gz OISAZGUJLHSCSO-UHFFFAOYSA-N 1 0 388.917 2.527 20 0 GFADRO Nc1nc(N2CCC[C@@H](OC(=O)c3ccc(F)cc3Br)C2)cc[nH+]1 ZINC000791108019 658060308 /nfs/dbraw/zinc/06/03/08/658060308.db2.gz OARRZVNGJKMZKX-LLVKDONJSA-N 1 0 395.232 2.786 20 0 GFADRO COC(=O)/C=C1/SCC(=O)N1CCC[N@H+](C)Cc1ccccc1SC ZINC000791597740 658137827 /nfs/dbraw/zinc/13/78/27/658137827.db2.gz AXNBFQGHXTWSLU-GZTJUZNOSA-N 1 0 380.535 2.820 20 0 GFADRO NS(=O)(=O)c1ccc(CC[N@@H+]2CCc3ccc(Br)cc3C2)cc1 ZINC000792891630 658325964 /nfs/dbraw/zinc/32/59/64/658325964.db2.gz HCENMNDZTKIHAR-UHFFFAOYSA-N 1 0 395.322 2.697 20 0 GFADRO COCCC[NH+]1CCC(NC(=O)Cc2sc(SC(F)F)nc2C)CC1 ZINC000793353744 658388355 /nfs/dbraw/zinc/38/83/55/658388355.db2.gz UVJSGUSAJMPSPB-UHFFFAOYSA-N 1 0 393.525 2.926 20 0 GFADRO C[C@@H](CNC(=O)C(=O)NCCc1cc(Cl)cc(Cl)c1)[NH+]1CCCCC1 ZINC000793720257 658430736 /nfs/dbraw/zinc/43/07/36/658430736.db2.gz QRUKYWRGJNLGQB-ZDUSSCGKSA-N 1 0 386.323 2.643 20 0 GFADRO O=c1c(Br)nn(C[N@@H+]2CCOC[C@H](C3CCC3)C2)c2ccccc12 ZINC000793739877 658432175 /nfs/dbraw/zinc/43/21/75/658432175.db2.gz ACCYODXHMMOLAF-CQSZACIVSA-N 1 0 392.297 2.865 20 0 GFADRO Cc1ccc(/C=C/C(=O)N2CC[N@@H+](C[C@H](C)O)C[C@H]2C)c(Br)c1 ZINC000793873994 658452767 /nfs/dbraw/zinc/45/27/67/658452767.db2.gz KDKVCUBXGAACLZ-CNBITHIKSA-N 1 0 381.314 2.684 20 0 GFADRO C[C@@H]([NH2+]C[C@H](O)CCNC(=O)OC(C)(C)C)c1ccc(Br)cn1 ZINC000794530380 658557691 /nfs/dbraw/zinc/55/76/91/658557691.db2.gz JMYKAXZEXWZHJK-DGCLKSJQSA-N 1 0 388.306 2.770 20 0 GFADRO CC(C)C[N@@H+]1CCO[C@@H](COC(=O)COc2cccc(Br)c2)C1 ZINC000794568692 658561498 /nfs/dbraw/zinc/56/14/98/658561498.db2.gz URKWWRFPNVBKAB-MRXNPFEDSA-N 1 0 386.286 2.728 20 0 GFADRO CN1CCN(c2cc[nH+]cc2NC(=S)NCCCCC(F)(F)F)CC1 ZINC000794971362 658642109 /nfs/dbraw/zinc/64/21/09/658642109.db2.gz LDHOGTVHNMTDSD-UHFFFAOYSA-N 1 0 375.464 2.852 20 0 GFADRO C[C@@H]1CN(C(=O)C[NH2+][C@H]2c3cccc(Br)c3CC2(C)C)CCO1 ZINC000795122949 658681680 /nfs/dbraw/zinc/68/16/80/658681680.db2.gz MTCQBDDCDUNUOX-PXAZEXFGSA-N 1 0 381.314 2.909 20 0 GFADRO C[N@@H+]1CCC[C@@H]2CN(CN3Cc4cccc(Br)c4C3=O)CC[C@H]21 ZINC000795435022 658818579 /nfs/dbraw/zinc/81/85/79/658818579.db2.gz JRCBPEALPRFICC-CZUORRHYSA-N 1 0 378.314 2.779 20 0 GFADRO CC[C@H]([NH2+]CCOc1cccnc1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000795795658 658851834 /nfs/dbraw/zinc/85/18/34/658851834.db2.gz OXFJPWYGBOLOGP-INIZCTEOSA-N 1 0 383.901 2.763 20 0 GFADRO CC[C@@H]([NH2+]C[C@@H](OC)C(F)(F)F)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000795811523 658853999 /nfs/dbraw/zinc/85/39/99/658853999.db2.gz NHRUQPWJRHOXLO-DGCLKSJQSA-N 1 0 388.839 2.866 20 0 GFADRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F ZINC000796110756 658892860 /nfs/dbraw/zinc/89/28/60/658892860.db2.gz BPRKVFHWMYIOOB-DTWKUNHWSA-N 1 0 384.370 2.629 20 0 GFADRO CS(=O)(=O)N1CCCC[C@H]1C[NH2+]Cc1c(Cl)nc2cc(Cl)ccn21 ZINC000796514201 658921156 /nfs/dbraw/zinc/92/11/56/658921156.db2.gz VFZXQDZURTUWER-LBPRGKRZSA-N 1 0 391.324 2.545 20 0 GFADRO CCOC(=O)C(F)(F)[C@H]1CCC[C@H]([NH2+]CCn2cc(Br)cn2)C1 ZINC000797119211 658983248 /nfs/dbraw/zinc/98/32/48/658983248.db2.gz SNUUXPHIZXTVTR-AAEUAGOBSA-N 1 0 394.260 2.992 20 0 GFADRO CC[C@@H]1C[N@H+](C)CCCN1C(=O)/C=C/c1ccc(I)o1 ZINC000798265277 659091052 /nfs/dbraw/zinc/09/10/52/659091052.db2.gz DYEATSOXLDBJQZ-WAFBPQNNSA-N 1 0 388.249 2.840 20 0 GFADRO CC[C@@H]1C[N@H+](C)CCCN1C(=O)/C=C\c1ccc(I)o1 ZINC000798265280 659091097 /nfs/dbraw/zinc/09/10/97/659091097.db2.gz DYEATSOXLDBJQZ-XYLWRLHESA-N 1 0 388.249 2.840 20 0 GFADRO COC(=O)c1nn(CN2CC[C@H](c3ccccn3)C2)c(C)c1Br ZINC000799157846 659169046 /nfs/dbraw/zinc/16/90/46/659169046.db2.gz BXWKFTFMROTZNI-LBPRGKRZSA-N 1 0 379.258 2.583 20 0 GFADRO OC[C@@]1([NH2+]C[C@@H](O)c2ccc(Br)cc2)CCOc2ccccc21 ZINC000799337821 659183164 /nfs/dbraw/zinc/18/31/64/659183164.db2.gz RDEUTUDTGNUWLN-AEFFLSMTSA-N 1 0 378.266 2.742 20 0 GFADRO C[C@H](CNC(=O)NC[C@H](O)c1cccc(Br)c1)C[NH+]1CCCC1 ZINC000799939644 659247514 /nfs/dbraw/zinc/24/75/14/659247514.db2.gz MYUFIEQYMHIQNN-CJNGLKHVSA-N 1 0 384.318 2.514 20 0 GFADRO C[C@H](C[NH+]1CCCCC1)NC(=O)NC[C@H](O)c1cccc(Br)c1 ZINC000799938881 659247561 /nfs/dbraw/zinc/24/75/61/659247561.db2.gz BHUAESTZZCRGCR-CJNGLKHVSA-N 1 0 384.318 2.656 20 0 GFADRO O=C(OCCC[NH+]1CCCC1)[C@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000800128540 659274220 /nfs/dbraw/zinc/27/42/20/659274220.db2.gz JTNZTSVDCVGTOD-AWEZNQCLSA-N 1 0 395.297 2.831 20 0 GFADRO Cc1cc(C[NH2+][C@@H]2CCC[C@@H]2CNS(C)(=O)=O)cc(C)c1OC(F)F ZINC000800309684 659300223 /nfs/dbraw/zinc/30/02/23/659300223.db2.gz MKVNOLOLSVKGHK-HUUCEWRRSA-N 1 0 376.469 2.712 20 0 GFADRO Cc1cc(C[NH2+][C@H]2CCC[C@@H]2CNS(C)(=O)=O)cc(C)c1OC(F)F ZINC000800309682 659300400 /nfs/dbraw/zinc/30/04/00/659300400.db2.gz MKVNOLOLSVKGHK-CABCVRRESA-N 1 0 376.469 2.712 20 0 GFADRO Cc1nn(C)c(Br)c1C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000801083555 659366806 /nfs/dbraw/zinc/36/68/06/659366806.db2.gz KKGYXFPLFNDHJA-HNNXBMFYSA-N 1 0 391.313 2.885 20 0 GFADRO Cc1nn(C)c(Br)c1C(=O)OCC[N@H+](C)Cc1ccc(F)cc1 ZINC000801504110 659398464 /nfs/dbraw/zinc/39/84/64/659398464.db2.gz SSIMLRWJPBTCOE-UHFFFAOYSA-N 1 0 384.249 2.919 20 0 GFADRO NC(=O)[C@@H](OC(=O)C1CC[NH+](C2CC2)CC1)c1ccc(Br)cc1F ZINC000801870680 659432089 /nfs/dbraw/zinc/43/20/89/659432089.db2.gz CEGSWZIXWYLQFD-HNNXBMFYSA-N 1 0 399.260 2.532 20 0 GFADRO CC[N@H+](CC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@@H](C)CS(C)(=O)=O ZINC000801920328 659433368 /nfs/dbraw/zinc/43/33/68/659433368.db2.gz PFIDWIWGZINUHE-HOTGVXAUSA-N 1 0 376.563 2.779 20 0 GFADRO CC(C)[N@@H+]1CCO[C@@H](COC(=O)[C@@H](C)Oc2ccccc2Br)C1 ZINC000802136197 659447836 /nfs/dbraw/zinc/44/78/36/659447836.db2.gz GTRSCXSIAQEZJE-ZIAGYGMSSA-N 1 0 386.286 2.869 20 0 GFADRO CC(C)[N@@H+]1CCO[C@H](COC(=O)c2ccccc2I)C1 ZINC000802133472 659448039 /nfs/dbraw/zinc/44/80/39/659448039.db2.gz VJYBNSZMAUEHQO-LBPRGKRZSA-N 1 0 389.233 2.557 20 0 GFADRO COc1ccc([C@H](C[NH+](C)C)NC(=O)c2c(C)nn(C)c2Br)cc1 ZINC000803807589 659606620 /nfs/dbraw/zinc/60/66/20/659606620.db2.gz MVEKFPCYSWXLRG-AWEZNQCLSA-N 1 0 395.301 2.532 20 0 GFADRO CCC[N@H+](C)[C@@H](CNC(=O)[C@H]1CSCN1C(C)=O)c1ccc(Cl)cc1 ZINC000804128884 659622463 /nfs/dbraw/zinc/62/24/63/659622463.db2.gz TWCYLEHZTWTWGB-DLBZAZTESA-N 1 0 383.945 2.761 20 0 GFADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)Oc1cc(F)c(C)cc1Cl ZINC000805115384 659742604 /nfs/dbraw/zinc/74/26/04/659742604.db2.gz GYUWENBCKGRIJV-UHFFFAOYSA-N 1 0 389.880 2.930 20 0 GFADRO CCOC(=O)C(F)(F)[C@@H]1CCC[C@H]([NH2+][C@@H](CCSC)C(=O)N(C)C)C1 ZINC000806663032 659839449 /nfs/dbraw/zinc/83/94/49/659839449.db2.gz SBEHRKIIZASXQV-RDBSUJKOSA-N 1 0 380.501 2.543 20 0 GFADRO COCC[N@@H+]1CCC[C@H](NC(=O)c2nc(Br)sc2C2CC2)C1 ZINC000806807618 659841902 /nfs/dbraw/zinc/84/19/02/659841902.db2.gz PMKQPOAYPTWBLW-NSHDSACASA-N 1 0 388.331 2.624 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)c1ccc(C(N)=O)c(Cl)n1)c1ccc(Cl)cc1 ZINC000806985878 659845836 /nfs/dbraw/zinc/84/58/36/659845836.db2.gz FBBQNIVAPXCRPJ-AWEZNQCLSA-N 1 0 381.263 2.520 20 0 GFADRO CCO[C@H](CC[NH+](C)C)CNC(=O)c1nc(Br)sc1C1CC1 ZINC000807036609 659846417 /nfs/dbraw/zinc/84/64/17/659846417.db2.gz BAFXKLQEZFCISJ-LLVKDONJSA-N 1 0 390.347 2.870 20 0 GFADRO CS[C@@H]1CN(C(=O)c2nc(Br)sc2C2CC2)C[C@H]1[NH+](C)C ZINC000807166942 659848902 /nfs/dbraw/zinc/84/89/02/659848902.db2.gz PBXMVBOPDBKDGQ-NXEZZACHSA-N 1 0 390.372 2.901 20 0 GFADRO O=C(c1ccc(C2SCCCS2)cc1)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000808157368 659880116 /nfs/dbraw/zinc/88/01/16/659880116.db2.gz JCJIFTWPBJQHGZ-IRXDYDNUSA-N 1 0 378.563 2.836 20 0 GFADRO CCCN(CC[NH+]1CCCCCC1)S(=O)(=O)c1c(C)nn(C)c1Cl ZINC000808335147 659889207 /nfs/dbraw/zinc/88/92/07/659889207.db2.gz RJEZUMRJRUSYKI-UHFFFAOYSA-N 1 0 376.954 2.659 20 0 GFADRO Cc1nc(Cl)c(Cl)cc1C(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000808655050 659901652 /nfs/dbraw/zinc/90/16/52/659901652.db2.gz XBXZWGGTFIYHLX-UHFFFAOYSA-N 1 0 383.279 2.962 20 0 GFADRO CCOC(=O)c1cc(S(=O)(=O)NCCC[NH+](CC)CC)c(F)cc1Cl ZINC000809385686 659925298 /nfs/dbraw/zinc/92/52/98/659925298.db2.gz KOVOZXHBLDODNL-UHFFFAOYSA-N 1 0 394.896 2.666 20 0 GFADRO Brc1c(CNC2CC[NH+](C[C@H]3CCCO3)CC2)nc2ccccn21 ZINC000809619160 659934029 /nfs/dbraw/zinc/93/40/29/659934029.db2.gz QJFNZWPHMNFCJE-OAHLLOKOSA-N 1 0 393.329 2.830 20 0 GFADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1nc2ccccc2cc1Br ZINC000809643227 659934938 /nfs/dbraw/zinc/93/49/38/659934938.db2.gz FMBVRBVRZAIRLL-ZIAGYGMSSA-N 1 0 390.281 2.590 20 0 GFADRO O=C([C@H]1CC[N@@H+](Cc2ccccc2I)C1)N1CCCC1 ZINC000809772452 659938787 /nfs/dbraw/zinc/93/87/87/659938787.db2.gz XTPCIUNFBOCOAQ-AWEZNQCLSA-N 1 0 384.261 2.736 20 0 GFADRO COC(=O)N1CCC(C[NH2+]Cc2cn3ccc(Br)cc3n2)CC1 ZINC000810158472 659964953 /nfs/dbraw/zinc/96/49/53/659964953.db2.gz RZXVCCBPXPTIHP-UHFFFAOYSA-N 1 0 381.274 2.665 20 0 GFADRO CNS(=O)(=O)Cc1ccc(C[NH2+][C@H](C)c2ccc(Br)nc2)cc1 ZINC000810211960 659966859 /nfs/dbraw/zinc/96/68/59/659966859.db2.gz YKSBRHXIQNOLBU-GFCCVEGCSA-N 1 0 398.326 2.744 20 0 GFADRO C[N@@H+]1CCN(CCNC(=O)c2cc(C(F)(F)F)cc(Cl)n2)CC1(C)C ZINC000811494880 660010481 /nfs/dbraw/zinc/01/04/81/660010481.db2.gz ZJDYEAIXWUSLJI-UHFFFAOYSA-N 1 0 378.826 2.510 20 0 GFADRO CCC[N@H+](CC)C[C@H](C)NC(=O)C[C@](O)(c1nc(C)cs1)C(F)(F)F ZINC000812394132 660026145 /nfs/dbraw/zinc/02/61/45/660026145.db2.gz OZYZOAZJUJPGCE-NHYWBVRUSA-N 1 0 381.464 2.828 20 0 GFADRO COC(=O)/C(C)=C/C[NH2+][C@@H](C)c1ccc(Br)cc1OCCCO ZINC000812885138 660036184 /nfs/dbraw/zinc/03/61/84/660036184.db2.gz LEBBTOHLDPCDLP-WHGQRRHOSA-N 1 0 386.286 2.980 20 0 GFADRO C[C@@H]1CN(CCNC(=O)NC2(Cc3ccccc3Br)CC2)CCO1 ZINC000813618949 660058243 /nfs/dbraw/zinc/05/82/43/660058243.db2.gz RKKYEHPXTIZJTC-CQSZACIVSA-N 1 0 396.329 2.544 20 0 GFADRO Cc1cc2cc(S(=O)(=O)NC[C@H]3CC[N@@H+](C4CC4)C3)ccc2nc1Cl ZINC000814987615 660100112 /nfs/dbraw/zinc/10/01/12/660100112.db2.gz VVEOLDNSSJRLRU-CYBMUJFWSA-N 1 0 379.913 2.959 20 0 GFADRO C[C@@](O)(C[N@@H+]1CC[C@H](n2cncn2)C1)c1ccc(Br)cc1Cl ZINC000815094987 660111557 /nfs/dbraw/zinc/11/15/57/660111557.db2.gz KHFAJVKBEKVCHI-SWLSCSKDSA-N 1 0 385.693 2.849 20 0 GFADRO CN(C)C(=O)OC1CC[NH+](CCC(=O)Nc2cccc(Br)c2)CC1 ZINC000815191594 660116105 /nfs/dbraw/zinc/11/61/05/660116105.db2.gz XEHKOIQYOJQDDU-UHFFFAOYSA-N 1 0 398.301 2.940 20 0 GFADRO CS(=O)(=O)CCCC[NH2+]C1(Cc2ccc(F)cc2Cl)CCOCC1 ZINC000815219193 660117103 /nfs/dbraw/zinc/11/71/03/660117103.db2.gz IFKQAEIYUWWZFO-UHFFFAOYSA-N 1 0 377.909 2.985 20 0 GFADRO CC[NH+](CC)CC[C@H](CO)NC(=O)c1nc(Br)sc1C1CC1 ZINC000816487092 660158595 /nfs/dbraw/zinc/15/85/95/660158595.db2.gz CTFNSZWDFRVISG-LLVKDONJSA-N 1 0 390.347 2.606 20 0 GFADRO CC[NH+](CC)[C@@H](C(=O)NCc1cnc(Br)cn1)c1ccccc1 ZINC000816530232 660160105 /nfs/dbraw/zinc/16/01/05/660160105.db2.gz AAIOMOVEGYLMLE-MRXNPFEDSA-N 1 0 377.286 2.938 20 0 GFADRO C[NH+]1CCN(c2ncccc2CNC(=O)c2nc(Cl)sc2Cl)CC1 ZINC000816906543 660172194 /nfs/dbraw/zinc/17/21/94/660172194.db2.gz MRWSGSONGOJRPU-UHFFFAOYSA-N 1 0 386.308 2.527 20 0 GFADRO Cc1nc(Br)sc1C(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000816944125 660173796 /nfs/dbraw/zinc/17/37/96/660173796.db2.gz SISIXVZYVUOESN-UHFFFAOYSA-N 1 0 390.347 2.787 20 0 GFADRO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)N1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC000816952707 660174278 /nfs/dbraw/zinc/17/42/78/660174278.db2.gz QGALZEQSCNYOGB-FZMZJTMJSA-N 1 0 391.265 2.640 20 0 GFADRO COC(=O)c1sc(S(=O)(=O)NC2CCC([NH+](C)C)CC2)c(C)c1Cl ZINC000817147929 660183648 /nfs/dbraw/zinc/18/36/48/660183648.db2.gz WWZAVNJECXGRFD-UHFFFAOYSA-N 1 0 394.946 2.648 20 0 GFADRO CCCC[C@@H](C[NH3+])NC(=O)NCc1ccc(C(=O)OC)cc1Br ZINC000841958086 661318557 /nfs/dbraw/zinc/31/85/57/661318557.db2.gz OCZQSRRHXNYMGW-ZDUSSCGKSA-N 1 0 386.290 2.552 20 0 GFADRO O=C(NCC[C@@H](O)c1ccc(Cl)c(Cl)c1)N[C@@H]1C[NH2+]CCC1(F)F ZINC000842003028 661319557 /nfs/dbraw/zinc/31/95/57/661319557.db2.gz MHYJDCIPXWMFHO-CHWSQXEVSA-N 1 0 382.238 2.713 20 0 GFADRO CN(CC(=[NH2+])NOCc1ncc(Br)s1)C(=O)OC(C)(C)C ZINC000842105394 661323159 /nfs/dbraw/zinc/32/31/59/661323159.db2.gz SZAGAGGLIAQHLQ-UHFFFAOYSA-N 1 0 379.280 2.771 20 0 GFADRO CS(=O)(=O)CC1CCC([NH2+][C@@H]2CCN(c3cccc(Cl)c3)C2=O)CC1 ZINC000842150340 661325757 /nfs/dbraw/zinc/32/57/57/661325757.db2.gz FIDUEYOYMOSGDV-PUJMQQBBSA-N 1 0 384.929 2.638 20 0 GFADRO O=S(=O)(Cc1ccc(Cl)cc1Br)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000842479839 661341102 /nfs/dbraw/zinc/34/11/02/661341102.db2.gz FNUAMAZPTXMOOJ-IINYFYTJSA-N 1 0 393.734 2.616 20 0 GFADRO [NH3+][C@@H]1CCO[C@@H](C2CCN(S(=O)(=O)/C=C\c3ccc(Cl)cc3)CC2)C1 ZINC000842485610 661341930 /nfs/dbraw/zinc/34/19/30/661341930.db2.gz XAFXSWIUKSCDQB-JIMNIMLASA-N 1 0 384.929 2.859 20 0 GFADRO C[NH2+]C[C@@H](C)c1noc([C@H]2CC(=O)N(c3cccc(Br)c3)C2)n1 ZINC000842580499 661344165 /nfs/dbraw/zinc/34/41/65/661344165.db2.gz UKGZFLYJODIAJR-MNOVXSKESA-N 1 0 379.258 2.676 20 0 GFADRO O=C1[C@H](c2nc([C@@H]3CCC[NH2+]C3)no2)CCN1c1ccccc1Br ZINC000842666212 661348168 /nfs/dbraw/zinc/34/81/68/661348168.db2.gz XDBROLCZJQZJMA-NEPJUHHUSA-N 1 0 391.269 2.820 20 0 GFADRO [NH3+]CCc1ccc(CNS(=O)(=O)c2cc(Cl)ccc2OC(F)F)cc1 ZINC000842703137 661350159 /nfs/dbraw/zinc/35/01/59/661350159.db2.gz UCIHUWSCHBYOTE-UHFFFAOYSA-N 1 0 390.839 2.921 20 0 GFADRO O=S(=O)(NC[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1)c1ccc(Cl)nc1 ZINC000842891840 661358737 /nfs/dbraw/zinc/35/87/37/661358737.db2.gz WVEJDIURFXXILG-CJNGLKHVSA-N 1 0 383.876 2.546 20 0 GFADRO O[C@@H](C[NH2+]CC[C@H](O)c1ccccc1)COc1cccc(Br)c1 ZINC000843087701 661367288 /nfs/dbraw/zinc/36/72/88/661367288.db2.gz KUWLYVYRLYQUJI-WMZOPIPTSA-N 1 0 380.282 2.902 20 0 GFADRO C[C@H](C[C@@H](O)c1ccco1)[NH2+]C[C@@H](O)COc1ccc(Br)cc1 ZINC000843098626 661367874 /nfs/dbraw/zinc/36/78/74/661367874.db2.gz ABGPZNVEKFAWNH-XNRPHZJLSA-N 1 0 384.270 2.884 20 0 GFADRO O[C@H](C[NH2+]C[C@H]1CCC2(CCOCC2)[C@H]1O)c1ccccc1Br ZINC000843111976 661368761 /nfs/dbraw/zinc/36/87/61/661368761.db2.gz BNOKJZGYMOAPCT-XYPHTWIQSA-N 1 0 384.314 2.640 20 0 GFADRO OCC1([C@H]([NH2+]C[C@@H](O)c2cccc(Br)c2)[C@H]2CCCO2)CCC1 ZINC000843118419 661369931 /nfs/dbraw/zinc/36/99/31/661369931.db2.gz ZDARFUVOQCVRJI-BRWVUGGUSA-N 1 0 384.314 2.782 20 0 GFADRO COc1cc(Br)c(Cc2noc(C[C@H]3CCC[NH2+]3)n2)cc1OC ZINC000843196648 661371530 /nfs/dbraw/zinc/37/15/30/661371530.db2.gz IKWBBBQDAFKASB-LLVKDONJSA-N 1 0 382.258 2.735 20 0 GFADRO Fc1cc(-c2noc(C[C@H]3CSCC[NH2+]3)n2)ccc1-n1cc(Cl)cn1 ZINC000843228058 661374098 /nfs/dbraw/zinc/37/40/98/661374098.db2.gz YPUXACRMESUSGA-LBPRGKRZSA-N 1 0 379.848 2.962 20 0 GFADRO Brc1ccc(C2(c3noc(C[C@H]4C[NH2+]CCO4)n3)CCC2)s1 ZINC000843227637 661374217 /nfs/dbraw/zinc/37/42/17/661374217.db2.gz FVNWZENLTXCCTR-JTQLQIEISA-N 1 0 384.299 2.895 20 0 GFADRO [NH3+]C[C@H]1CC[C@H](CNC(=O)/C=C/c2ccc(I)o2)CC1 ZINC000843481392 661382864 /nfs/dbraw/zinc/38/28/64/661382864.db2.gz WICGOSHIPGEFJA-MNALDFEGSA-N 1 0 388.249 2.779 20 0 GFADRO O=C(CO[C@@H]1CCC[NH2+]C1)NCc1ccc(Br)cc1C(F)(F)F ZINC000843488481 661383394 /nfs/dbraw/zinc/38/33/94/661383394.db2.gz BKJZJUHOSYDBDI-GFCCVEGCSA-N 1 0 395.219 2.853 20 0 GFADRO O=C(CO[C@H]1CCC[NH2+]C1)N[C@H]1C[C@H](c2ccc(F)c(Br)c2)C1 ZINC000843499736 661383522 /nfs/dbraw/zinc/38/35/22/661383522.db2.gz MOXHXQYDTBALMB-IHRRRGAJSA-N 1 0 385.277 2.719 20 0 GFADRO CC[NH+](CC)CCN(C(=O)c1cnsn1)c1ccc(Br)cn1 ZINC000844508369 661424665 /nfs/dbraw/zinc/42/46/65/661424665.db2.gz CMDIMTJJADSGLT-UHFFFAOYSA-N 1 0 384.303 2.684 20 0 GFADRO O=C(Nc1cccc(Cl)c1SC(F)F)N1CC(N2CC[C@@H](O)C2)C1 ZINC000844524100 661425703 /nfs/dbraw/zinc/42/57/03/661425703.db2.gz BPOXYPHKGUQDHA-SNVBAGLBSA-N 1 0 377.844 2.937 20 0 GFADRO CC(C)Oc1cc(C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)ccc1Br ZINC000845344947 661467540 /nfs/dbraw/zinc/46/75/40/661467540.db2.gz YRZJUDWCFHVSQY-GJZGRUSLSA-N 1 0 397.313 2.829 20 0 GFADRO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)C(=O)Cc3cn(C)nc3Cl)C2)s1 ZINC000846100842 661532602 /nfs/dbraw/zinc/53/26/02/661532602.db2.gz UXUWKZHGUORXCT-AWEZNQCLSA-N 1 0 380.945 2.966 20 0 GFADRO C[C@]1(CCNC(=O)N2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)CC1(Cl)Cl ZINC000846169890 661534876 /nfs/dbraw/zinc/53/48/76/661534876.db2.gz GUWRNOGBSVYNTH-AYDFFVQHSA-N 1 0 378.344 2.888 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(C(=O)NCCC[C@H]3CC3(Cl)Cl)C2)C1 ZINC000846210332 661538520 /nfs/dbraw/zinc/53/85/20/661538520.db2.gz YRLJBVMCBFTFAN-BARDWOONSA-N 1 0 378.344 2.888 20 0 GFADRO Cc1csc([C@](O)(CC(=O)NCCC[N@@H+](C)CC(C)C)C(F)(F)F)n1 ZINC000846291892 661543782 /nfs/dbraw/zinc/54/37/82/661543782.db2.gz VCKQAFDWVFDQRU-OAHLLOKOSA-N 1 0 381.464 2.686 20 0 GFADRO Cc1ccc(NC(=O)N2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)c(Br)n1 ZINC000846307639 661544201 /nfs/dbraw/zinc/54/42/01/661544201.db2.gz SJXUWOXXNQVKSG-KCQAQPDRSA-N 1 0 397.317 2.903 20 0 GFADRO C[C@@]([NH3+])(C(=O)NC[C@@](C)(O)c1ccsc1)c1ccc(Br)cc1 ZINC000846687965 661561577 /nfs/dbraw/zinc/56/15/77/661561577.db2.gz RCDHHYFFMLEERN-CVEARBPZSA-N 1 0 383.311 2.708 20 0 GFADRO CCS(=O)(=O)c1ccc(Cl)c(C(=O)NCc2ccccc2C[NH2+]C)c1 ZINC000846692598 661561929 /nfs/dbraw/zinc/56/19/29/661561929.db2.gz UYKOEZFSJWVKNF-UHFFFAOYSA-N 1 0 380.897 2.783 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2C(=O)[C@H](O)c2cc(Cl)cc(Cl)c2)C1 ZINC000846699769 661562172 /nfs/dbraw/zinc/56/21/72/661562172.db2.gz QLNFURIFFCIUTF-LTIDMASMSA-N 1 0 387.307 2.914 20 0 GFADRO BrC1(C[N@@H+]2CCC[C@@H](CN3CCN(c4ccccn4)CC3)C2)CC1 ZINC000846789133 661566093 /nfs/dbraw/zinc/56/60/93/661566093.db2.gz ODNACRAHKJYDOO-KRWDZBQOSA-N 1 0 393.373 2.843 20 0 GFADRO CC1(C)C(=O)N[C@@H]1C1CC[NH+](C[C@H](O)c2ccc(Br)cc2)CC1 ZINC000846928412 661571145 /nfs/dbraw/zinc/57/11/45/661571145.db2.gz FWEADPNFQYECOV-JKSUJKDBSA-N 1 0 381.314 2.719 20 0 GFADRO CC[C@@H]1C[N@H+](C)CCCN1C(=O)c1cn(-c2ccccc2Br)nn1 ZINC000846968140 661572073 /nfs/dbraw/zinc/57/20/73/661572073.db2.gz AKHYLKBCTYDOOV-CYBMUJFWSA-N 1 0 392.301 2.586 20 0 GFADRO C[C@@H](CNC(=O)c1ccc(Cl)nc1C(F)(F)F)N1C[C@@H](C)O[C@@H](C)C1 ZINC000847177816 661579470 /nfs/dbraw/zinc/57/94/70/661579470.db2.gz LAADWFOOOVEJJA-GARJFASQSA-N 1 0 379.810 2.981 20 0 GFADRO O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)[C@@H]1Cc2cc(Br)ccc2O1 ZINC000847257232 661584422 /nfs/dbraw/zinc/58/44/22/661584422.db2.gz VPSJCZYKNOYKFC-VYDXJSESSA-N 1 0 379.298 2.886 20 0 GFADRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)N2CCO[C@H](c3ccccc3Br)C2)C1 ZINC000847410109 661591383 /nfs/dbraw/zinc/59/13/83/661591383.db2.gz YBPFUXHOUJNSRS-VBQJREDUSA-N 1 0 396.329 2.872 20 0 GFADRO C[C@@H](NC(=O)c1ccccc1S(=O)(=O)C(F)(F)F)C(C)(C)C[NH+](C)C ZINC000847520356 661595375 /nfs/dbraw/zinc/59/53/75/661595375.db2.gz LMOQHEUDURAJRC-LLVKDONJSA-N 1 0 380.432 2.686 20 0 GFADRO C[NH+](C)CCN(Cc1cccc(O)c1)C(=O)c1nc(F)ccc1Br ZINC000847590170 661600055 /nfs/dbraw/zinc/60/00/55/661600055.db2.gz UEZQKQWQLASVLT-UHFFFAOYSA-N 1 0 396.260 2.893 20 0 GFADRO C[N@@H+]1CC[C@@H](CCOC(=O)[C@H]2CC(=O)N(c3ccccc3Br)C2)C1 ZINC000847825025 661612337 /nfs/dbraw/zinc/61/23/37/661612337.db2.gz PWUOIZQNWDLFLZ-KBPBESRZSA-N 1 0 395.297 2.687 20 0 GFADRO COCC[NH+]1CCC(OC(=O)c2cc(OC)c(Br)s2)CC1 ZINC000847884405 661615108 /nfs/dbraw/zinc/61/51/08/661615108.db2.gz ICHWNPMHIVNBOI-UHFFFAOYSA-N 1 0 378.288 2.787 20 0 GFADRO COCC[NH+]1CCC(OC(=O)c2c3ccc(Br)cc3nn2C)CC1 ZINC000847886728 661615320 /nfs/dbraw/zinc/61/53/20/661615320.db2.gz MFSHWHQBCVNTRM-UHFFFAOYSA-N 1 0 396.285 2.603 20 0 GFADRO Cn1c(Cl)ncc1C[NH2+]C[C@H](CO)Cc1ccc(OC(F)(F)F)cc1 ZINC000848542171 661662548 /nfs/dbraw/zinc/66/25/48/661662548.db2.gz FJPGSNYSXRZOIO-GFCCVEGCSA-N 1 0 377.794 2.913 20 0 GFADRO Cc1csc(-c2ccc(S(=O)(=O)N3CC[C@@]4(C3)CCC[NH2+]C4)cc2)n1 ZINC000848600213 661667148 /nfs/dbraw/zinc/66/71/48/661667148.db2.gz LLQWVWOVSHMMEV-SFHVURJKSA-N 1 0 377.535 2.883 20 0 GFADRO COC[C@H](C)NC(=[NH2+])NCc1ccc(I)c(Cl)c1 ZINC000848988017 661689871 /nfs/dbraw/zinc/68/98/71/661689871.db2.gz YLOZIHMLLHAVIE-QMMMGPOBSA-N 1 0 381.645 2.593 20 0 GFADRO [NH2+]=C(NCCCNC(=O)c1ccc(Br)cc1)Nc1ccccn1 ZINC000849073352 661690810 /nfs/dbraw/zinc/69/08/10/661690810.db2.gz NJYSRWYYQFUJGK-UHFFFAOYSA-N 1 0 376.258 2.600 20 0 GFADRO C[C@@H]1CCCN(C(=[NH2+])NCc2ccc(S(C)(=O)=O)c(C(F)(F)F)c2)C1 ZINC000849108876 661692344 /nfs/dbraw/zinc/69/23/44/661692344.db2.gz AUYXHYMBQMOACO-LLVKDONJSA-N 1 0 377.432 2.865 20 0 GFADRO CC(C)(C)OC(=O)NCCNC(=[NH2+])NCc1ccc(Br)s1 ZINC000849111103 661692356 /nfs/dbraw/zinc/69/23/56/661692356.db2.gz GZOUTGVWVFGUHO-UHFFFAOYSA-N 1 0 377.308 2.649 20 0 GFADRO CCOC(=O)N1CCC(NC(=[NH2+])NCc2cc(C)ccc2Br)CC1 ZINC000849117346 661693559 /nfs/dbraw/zinc/69/35/59/661693559.db2.gz AKWMCOOXZSMZHX-UHFFFAOYSA-N 1 0 397.317 2.992 20 0 GFADRO O[C@H]1CC[N@H+](Cc2ccc(CNC(=S)Nc3ccc(Cl)nc3)cc2)C1 ZINC000849280511 661702404 /nfs/dbraw/zinc/70/24/04/661702404.db2.gz DSWFLXPWIUWULS-INIZCTEOSA-N 1 0 376.913 2.788 20 0 GFADRO CS(=O)(=O)C1(C[NH2+]C[C@H](O)c2ccccc2Br)CCCCC1 ZINC000849329107 661706228 /nfs/dbraw/zinc/70/62/28/661706228.db2.gz MDSYTFCZMQTRNV-HNNXBMFYSA-N 1 0 390.343 2.820 20 0 GFADRO O=C1N[C@H](c2ccccc2Br)C(=O)N1[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000849351520 661708399 /nfs/dbraw/zinc/70/83/99/661708399.db2.gz HTXGIZVVTPECEV-RBSFLKMASA-N 1 0 378.270 2.669 20 0 GFADRO O=C1N[C@H](c2ccccc2Br)C(=O)N1[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000849352611 661708531 /nfs/dbraw/zinc/70/85/31/661708531.db2.gz XKFNNNYGQNZIBM-TYNCELHUSA-N 1 0 378.270 2.669 20 0 GFADRO Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)Nc2ccc(Br)c(F)c2)cn1 ZINC000849557082 661734131 /nfs/dbraw/zinc/73/41/31/661734131.db2.gz YNELJYJWRKBRNG-UONOGXRCSA-N 1 0 395.276 2.996 20 0 GFADRO Cn1cc([C@H]2C[N@H+](C)CC[C@H]2C(=O)Nc2cc(F)ccc2Br)cn1 ZINC000849560507 661734299 /nfs/dbraw/zinc/73/42/99/661734299.db2.gz BAVKUBNECKUKGN-ZIAGYGMSSA-N 1 0 395.276 2.996 20 0 GFADRO C[C@@H]([NH2+]CC1CCN(S(=O)(=O)C(F)F)CC1)c1ccc(C(F)F)nc1 ZINC000850441713 661776165 /nfs/dbraw/zinc/77/61/65/661776165.db2.gz AQUPQTKXLQAGOS-SNVBAGLBSA-N 1 0 383.411 2.934 20 0 GFADRO CC1(C)[C@@H]([NH2+]CCS(=O)(=O)CC(F)(F)F)C[C@@H]1OCc1ccccc1 ZINC000850518308 661780287 /nfs/dbraw/zinc/78/02/87/661780287.db2.gz DYFRZTQCPMICHV-GJZGRUSLSA-N 1 0 379.444 2.937 20 0 GFADRO Cn1c(Cl)cnc1-c1csc(NC(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)n1 ZINC000850754263 661790422 /nfs/dbraw/zinc/79/04/22/661790422.db2.gz NLJRTJKXRIRJIN-INIZCTEOSA-N 1 0 380.905 2.804 20 0 GFADRO Cc1cc(Br)c(Cl)cc1NC(=O)C(=O)NCCCCCC[NH3+] ZINC000850827333 661792048 /nfs/dbraw/zinc/79/20/48/661792048.db2.gz ZKMQNRNCSWPQED-UHFFFAOYSA-N 1 0 390.709 2.985 20 0 GFADRO NC(=O)[C@](O)(C[N@@H+]1CCC[C@H]1c1cccc(Br)c1)c1ccccc1 ZINC000851731288 661829495 /nfs/dbraw/zinc/82/94/95/661829495.db2.gz NPOMIRWKCVKMBJ-HKUYNNGSSA-N 1 0 389.293 2.959 20 0 GFADRO CCOP(=O)(OCC)[C@@H](O)C[NH+]1CCC(NC(=O)c2ccsc2)CC1 ZINC000851735263 661829824 /nfs/dbraw/zinc/82/98/24/661829824.db2.gz QTBDZKGAZJARKA-OAHLLOKOSA-N 1 0 390.442 2.527 20 0 GFADRO Cc1ccc(N)cc1S(=O)(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000851758959 661830915 /nfs/dbraw/zinc/83/09/15/661830915.db2.gz MYBXDOXJFZJVEE-HNNXBMFYSA-N 1 0 379.551 2.829 20 0 GFADRO C[C@H]1CN=C(N2CC[NH+](CC[C@@H]3Sc4ccccc4NC3=O)CC2)S1 ZINC000851852528 661838774 /nfs/dbraw/zinc/83/87/74/661838774.db2.gz NXDNNXFOZIOSCU-BBRMVZONSA-N 1 0 376.551 2.598 20 0 GFADRO CC[C@@H](CC(F)F)C[NH+]1CCN(c2ccc(NS(C)(=O)=O)cc2)CC1 ZINC000851886356 661843347 /nfs/dbraw/zinc/84/33/47/661843347.db2.gz QCCJQEZGGQZPQV-AWEZNQCLSA-N 1 0 375.485 2.862 20 0 GFADRO CCOP(=O)(OCC)[C@@H](O)C[N@@H+]1CCN(CC(F)(F)F)CC1(C)C ZINC000851905117 661845558 /nfs/dbraw/zinc/84/55/58/661845558.db2.gz AAWWWBRHQFKSNU-GFCCVEGCSA-N 1 0 376.356 2.529 20 0 GFADRO CCOP(=O)(OCC)[C@@H](O)C[NH2+][C@H](CO)c1cccc(Br)c1 ZINC000851918874 661845957 /nfs/dbraw/zinc/84/59/57/661845957.db2.gz KQTOXUATHXQQEC-ZIAGYGMSSA-N 1 0 396.218 2.657 20 0 GFADRO CC1CC[NH+](CCCCNC(=O)N2CCn3ncc(Br)c3C2)CC1 ZINC000851981072 661847814 /nfs/dbraw/zinc/84/78/14/661847814.db2.gz PFDAZRNVZDBGFW-UHFFFAOYSA-N 1 0 398.349 2.683 20 0 GFADRO CCOP(=O)(OCC)[C@H](O)C[N@@H+]1CCC[C@H](Oc2ncccc2F)C1 ZINC000851992364 661848249 /nfs/dbraw/zinc/84/82/49/661848249.db2.gz FDKZDGSQNHZLKO-ZFWWWQNUSA-N 1 0 376.365 2.648 20 0 GFADRO OCC[C@@H]([NH2+]CCn1cnc(Br)n1)c1cccc(C(F)(F)F)c1 ZINC000852113722 661853220 /nfs/dbraw/zinc/85/32/20/661853220.db2.gz GZGHPPDTBILSPT-GFCCVEGCSA-N 1 0 393.207 2.773 20 0 GFADRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)NCCC2SCCS2)[C@H](C)C1 ZINC000852115910 661853271 /nfs/dbraw/zinc/85/32/71/661853271.db2.gz VIFZISXIASBMLH-HUUCEWRRSA-N 1 0 375.604 2.619 20 0 GFADRO OC[C@H]([NH2+]C[C@H](O)COc1ccc(Cl)cc1Br)C1CCC1 ZINC000852321425 661860313 /nfs/dbraw/zinc/86/03/13/661860313.db2.gz UZOZJQYMSYUCER-JSGCOSHPSA-N 1 0 378.694 2.593 20 0 GFADRO O=C1OCCN1C1CC[NH+](C[C@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000852724051 661871759 /nfs/dbraw/zinc/87/17/59/661871759.db2.gz PJSCNNCOAUIAFT-ZDUSSCGKSA-N 1 0 389.279 2.650 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)c2cnn(-c3ccccc3)c2Br)C1 ZINC000852800320 661874692 /nfs/dbraw/zinc/87/46/92/661874692.db2.gz XKTMGOZKHFBGEQ-OLZOCXBDSA-N 1 0 377.286 2.834 20 0 GFADRO [NH3+]CCCOC1CCN(C(=O)C(F)(F)c2ccc(Br)cc2)CC1 ZINC000852799674 661874708 /nfs/dbraw/zinc/87/47/08/661874708.db2.gz VYUIJDCCRPWDIO-UHFFFAOYSA-N 1 0 391.256 2.897 20 0 GFADRO O=C(NCCC1CC[NH2+]CC1)c1cnn(-c2ccccc2)c1Br ZINC000852897581 661876677 /nfs/dbraw/zinc/87/66/77/661876677.db2.gz QXDKOTOVUCMDLC-UHFFFAOYSA-N 1 0 377.286 2.754 20 0 GFADRO Cn1cc(CC(=O)O[C@@H](C[NH+](C)C)c2cc(F)c(F)c(F)c2)c(Cl)n1 ZINC000853213152 661885186 /nfs/dbraw/zinc/88/51/86/661885186.db2.gz IIARYYOZVZDZQC-ZDUSSCGKSA-N 1 0 375.778 2.879 20 0 GFADRO CC(C)[NH+]1CCC(NC(=O)N2CC(O)(c3ccc(Br)cc3)C2)CC1 ZINC000853235292 661885705 /nfs/dbraw/zinc/88/57/05/661885705.db2.gz YKGDOAHTJQTFPQ-UHFFFAOYSA-N 1 0 396.329 2.535 20 0 GFADRO Brc1cc2c(c(-c3nc(CC4CC[NH2+]CC4)no3)c1)OCCO2 ZINC000854132009 661915726 /nfs/dbraw/zinc/91/57/26/661915726.db2.gz HHHYNNQXHABDBC-UHFFFAOYSA-N 1 0 380.242 2.812 20 0 GFADRO CCN(C(=O)Nc1cc2c(cc1Br)OCCO2)[C@H]1CC[N@H+](C)C1 ZINC000854214291 661918946 /nfs/dbraw/zinc/91/89/46/661918946.db2.gz ICONVQQVZVUNCS-NSHDSACASA-N 1 0 384.274 2.778 20 0 GFADRO O=C(c1ccc(C(F)(F)Br)nc1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000854291809 661922514 /nfs/dbraw/zinc/92/25/14/661922514.db2.gz NOWYJBFYGUJJJA-UHFFFAOYSA-N 1 0 397.223 2.883 20 0 GFADRO CCCN(CC[NH+]1CCCC1)C(=O)c1csc(I)n1 ZINC000854424920 661932739 /nfs/dbraw/zinc/93/27/39/661932739.db2.gz XRGOMWIHHIGAKF-UHFFFAOYSA-N 1 0 393.294 2.696 20 0 GFADRO CC(C)Oc1ccc([C@@H](CNC(=O)c2cc(Br)n[nH]2)[NH+](C)C)cc1 ZINC000854473773 661935578 /nfs/dbraw/zinc/93/55/78/661935578.db2.gz DEZXJWWLKQMOHV-OAHLLOKOSA-N 1 0 395.301 2.992 20 0 GFADRO COc1cc(/C=C\C(=O)N2CC[C@H]([NH+](C)C)[C@H]2C)cc(Br)c1O ZINC000854655514 661945718 /nfs/dbraw/zinc/94/57/18/661945718.db2.gz QFEAMVZJAYYGCY-WVPKPSDHSA-N 1 0 383.286 2.728 20 0 GFADRO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)c1cnn(-c2ccccc2)c1Br ZINC000854654528 661945738 /nfs/dbraw/zinc/94/57/38/661945738.db2.gz LKQLPNKNCYIXTM-IUODEOHRSA-N 1 0 377.286 2.799 20 0 GFADRO C[C@H]1CN(C(=O)c2cc(Br)n[nH]2)CC[N@H+](Cc2ccccc2)C1 ZINC000854843860 661956507 /nfs/dbraw/zinc/95/65/07/661956507.db2.gz ZPHITSCLDBERLQ-CYBMUJFWSA-N 1 0 377.286 2.766 20 0 GFADRO CC[NH+]1CCC(N2CCCN(C(=O)CC[C@@H]3CC3(Cl)Cl)CC2)CC1 ZINC000854963839 661963600 /nfs/dbraw/zinc/96/36/00/661963600.db2.gz SCQXTAFQTNZOEU-OAHLLOKOSA-N 1 0 376.372 2.979 20 0 GFADRO C[NH+](C)C[C@H]1COC2(CCCC2)CN1C(=O)c1scnc1Br ZINC000856409983 662032202 /nfs/dbraw/zinc/03/22/02/662032202.db2.gz FUWDVVJXEXBLNN-NSHDSACASA-N 1 0 388.331 2.621 20 0 GFADRO C[NH+](C)CCC[C@@H]1CN(C(=O)c2c(Cl)nc3cc(Cl)ccn32)CCO1 ZINC000856432305 662033533 /nfs/dbraw/zinc/03/35/33/662033533.db2.gz XOTYJRSTMMCQGB-CYBMUJFWSA-N 1 0 385.295 2.824 20 0 GFADRO C[NH+](C)CCC[C@@H]1CN(C(=O)c2c(Cl)nccc2C(F)(F)F)CCO1 ZINC000856430249 662033572 /nfs/dbraw/zinc/03/35/72/662033572.db2.gz USUANEHKCVWLCZ-LLVKDONJSA-N 1 0 379.810 2.937 20 0 GFADRO COc1ccc(C(=O)NC[C@H]2CCC[N@H+](CC3CC3)C2)nc1Br ZINC000856479891 662035325 /nfs/dbraw/zinc/03/53/25/662035325.db2.gz OZRSDGIWVBKQTB-CYBMUJFWSA-N 1 0 382.302 2.705 20 0 GFADRO C[C@@H]([NH2+]C[C@H](O)COC1CCOCC1)c1ccc(C(F)(F)F)nc1Cl ZINC000856779330 662043676 /nfs/dbraw/zinc/04/36/76/662043676.db2.gz WSGBDTINXPBROE-MNOVXSKESA-N 1 0 382.810 2.961 20 0 GFADRO O=C(NCC[C@H]1CC1(Cl)Cl)NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000856942469 662053045 /nfs/dbraw/zinc/05/30/45/662053045.db2.gz SBQTZDGWWHHLKK-HOTGVXAUSA-N 1 0 386.323 2.636 20 0 GFADRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)c1c(Br)nc2n1CCOC2 ZINC000856981271 662056164 /nfs/dbraw/zinc/05/61/64/662056164.db2.gz OBWLQHROAPZHNT-ZDUSSCGKSA-N 1 0 399.333 2.560 20 0 GFADRO [NH3+]Cc1cc(NC(=O)C(=O)NCC[C@@H]2CC2(Cl)Cl)cc(C(F)(F)F)c1 ZINC000857099573 662063527 /nfs/dbraw/zinc/06/35/27/662063527.db2.gz WAMRJFQNLIVJRQ-SECBINFHSA-N 1 0 398.212 2.803 20 0 GFADRO CC(=O)N1CC[C@@H]([NH2+]C[C@](C)(O)c2ccc(Br)cc2Cl)C1 ZINC000857241527 662069334 /nfs/dbraw/zinc/06/93/34/662069334.db2.gz XBUWOOZOXIWYAL-DOMZBBRYSA-N 1 0 375.694 2.520 20 0 GFADRO CC(=O)N1CC[C@@H]([NH2+]C[C@@](C)(O)c2ccc(Br)cc2Cl)C1 ZINC000857241528 662069438 /nfs/dbraw/zinc/06/94/38/662069438.db2.gz XBUWOOZOXIWYAL-IUODEOHRSA-N 1 0 375.694 2.520 20 0 GFADRO C[C@H]([NH2+]Cc1cn(C)nc1Br)[C@H](c1ccccc1)N1CCOCC1 ZINC000858086154 662098090 /nfs/dbraw/zinc/09/80/90/662098090.db2.gz CDARVSUMFUDIHG-WMLDXEAASA-N 1 0 393.329 2.734 20 0 GFADRO CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH2+]Cc1ncc(Br)cc1F ZINC000858170270 662103093 /nfs/dbraw/zinc/10/30/93/662103093.db2.gz KFWHECQZSCOGFP-YABSGUDNSA-N 1 0 386.265 2.938 20 0 GFADRO CCON(CC)C(=O)C[NH2+]C1CCN(Cc2ccccc2Br)CC1 ZINC000858219798 662104827 /nfs/dbraw/zinc/10/48/27/662104827.db2.gz AUXCCDGNRATVTI-UHFFFAOYSA-N 1 0 398.345 2.803 20 0 GFADRO Cn1c(Cl)nc(Cl)c1C[NH2+]CC1(NC(=O)OC(C)(C)C)CCOCC1 ZINC000858246408 662106183 /nfs/dbraw/zinc/10/61/83/662106183.db2.gz IYIFMLVLFOCUDV-UHFFFAOYSA-N 1 0 393.315 2.890 20 0 GFADRO COc1ncc(Br)cc1C[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000858249302 662106188 /nfs/dbraw/zinc/10/61/88/662106188.db2.gz NSFZSGVZZFJSED-ZDUSSCGKSA-N 1 0 386.290 2.952 20 0 GFADRO COCO[C@H](C)c1cc(F)c(C[NH2+][C@@H]2CCOC[C@H]2O)cc1Br ZINC000858300898 662107490 /nfs/dbraw/zinc/10/74/90/662107490.db2.gz NTWMHGIRWSFHLC-UHNFBRDESA-N 1 0 392.265 2.509 20 0 GFADRO CS(=O)(=O)CCOCC[NH2+][C@H]1CCCC[C@H]1Sc1ccc(F)cc1 ZINC000858383389 662110061 /nfs/dbraw/zinc/11/00/61/662110061.db2.gz XRVCARIBRZIQQZ-DLBZAZTESA-N 1 0 375.531 2.880 20 0 GFADRO C[C@H]([NH2+]C[C@@]1(CO)COCC2(CCC2)N1C)c1cc(Cl)c(N)c(Cl)c1 ZINC000858465419 662112594 /nfs/dbraw/zinc/11/25/94/662112594.db2.gz FYCDGZSXGPHDCA-KPZWWZAWSA-N 1 0 388.339 2.842 20 0 GFADRO CC(C)[C@@H](CNC(=O)OCc1ccc(Br)cc1)[NH+]1CCN(C)CC1 ZINC000859026036 662132350 /nfs/dbraw/zinc/13/23/50/662132350.db2.gz ZXIKHWRYIMRBLK-QGZVFWFLSA-N 1 0 398.345 2.947 20 0 GFADRO COCC[N@H+](C)CCNC(=O)C(C)(C)[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000859115571 662138672 /nfs/dbraw/zinc/13/86/72/662138672.db2.gz ZKNNQYYDBJDFOJ-OAHLLOKOSA-N 1 0 377.312 2.747 20 0 GFADRO COC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C[NH+]2CCCCC2)cc1Cl ZINC000859120595 662138862 /nfs/dbraw/zinc/13/88/62/662138862.db2.gz ARYVDAZUBZINSC-LBPRGKRZSA-N 1 0 389.905 2.671 20 0 GFADRO COC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H]([NH+](C)C)CC2)cc1Cl ZINC000859129750 662139613 /nfs/dbraw/zinc/13/96/13/662139613.db2.gz BZLZRMJZDCXHPD-GFCCVEGCSA-N 1 0 389.905 2.623 20 0 GFADRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)OCc3ccc(Br)cc3)[C@H]2C1 ZINC000859170646 662142104 /nfs/dbraw/zinc/14/21/04/662142104.db2.gz ZCTBAKBYRZGKHL-JKSUJKDBSA-N 1 0 383.286 2.881 20 0 GFADRO O=S(=O)(NC[C@H]1CC[N@@H+]1C1CCCCC1)c1c(Cl)nc2sccn21 ZINC000859275661 662149278 /nfs/dbraw/zinc/14/92/78/662149278.db2.gz BJFZCBRKLUUVFL-GFCCVEGCSA-N 1 0 388.946 2.735 20 0 GFADRO O=S(=O)(NC[C@@H]1CC[N@@H+]1C1CCCCC1)c1ccc(C(F)(F)F)cn1 ZINC000859277012 662149452 /nfs/dbraw/zinc/14/94/52/662149452.db2.gz QWGICJLVFCMHGJ-AWEZNQCLSA-N 1 0 377.432 2.786 20 0 GFADRO CC[C@H](C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1)c1ccc(Br)cc1 ZINC000859360225 662156508 /nfs/dbraw/zinc/15/65/08/662156508.db2.gz BAKODUCVHUNEFH-YJBOKZPZSA-N 1 0 396.373 2.942 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)CCC[N@@H+]1C[C@@H]2COC(=O)[C@@H]2C1 ZINC000860164283 662191764 /nfs/dbraw/zinc/19/17/64/662191764.db2.gz IKWCAAGUVNKZDY-UKRRQHHQSA-N 1 0 395.297 2.889 20 0 GFADRO COCC[N@@H+]1CCC[C@H]1COC(=O)[C@@H]1CCOc2ccc(Br)cc21 ZINC000861037298 662224971 /nfs/dbraw/zinc/22/49/71/662224971.db2.gz SMRFBHHKBQZMDA-LSDHHAIUSA-N 1 0 398.297 2.969 20 0 GFADRO COCC[N@@H+]1CCC[C@H]1COC(=O)c1csc(I)c1 ZINC000861034424 662225037 /nfs/dbraw/zinc/22/50/37/662225037.db2.gz UJHXKTPQDGQDAD-NSHDSACASA-N 1 0 395.262 2.620 20 0 GFADRO COCC[N@@H+]1CCC[C@H]1COC(=O)c1cn(C(C)(C)C)nc1Br ZINC000861035420 662225116 /nfs/dbraw/zinc/22/51/16/662225116.db2.gz CVZOJRSSDXFUSN-LBPRGKRZSA-N 1 0 388.306 2.668 20 0 GFADRO COc1ccc(Br)cc1CC(=O)OC[C@]1(C)C[C@@H](OC)C[N@@H+]1C ZINC000861347522 662241460 /nfs/dbraw/zinc/24/14/60/662241460.db2.gz PKSJTTDZIXSSDP-PBHICJAKSA-N 1 0 386.286 2.653 20 0 GFADRO CO[C@H]1C[N@H+](C)[C@@](C)(COC(=O)c2ccc(I)cc2)C1 ZINC000861339143 662241518 /nfs/dbraw/zinc/24/15/18/662241518.db2.gz PRIXBCYTISEHJE-UKRRQHHQSA-N 1 0 389.233 2.557 20 0 GFADRO CO[C@@H](C(=O)OC[C@@]1(C)C[C@H](OC)C[N@@H+]1C)c1ccccc1Br ZINC000861356366 662242101 /nfs/dbraw/zinc/24/21/01/662242101.db2.gz KBDAWCNZCPGABI-XGWLTEMNSA-N 1 0 386.286 2.789 20 0 GFADRO CO[C@H]1C[N@H+](C)[C@](C)(COC(=O)c2cnn(C(C)(C)C)c2Br)C1 ZINC000861356606 662242300 /nfs/dbraw/zinc/24/23/00/662242300.db2.gz MTZYJPKGAGMIEW-BZNIZROVSA-N 1 0 388.306 2.667 20 0 GFADRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)Nc1cccc(Cl)c1SC(F)F ZINC000861516703 662248600 /nfs/dbraw/zinc/24/86/00/662248600.db2.gz NMKQVFXWPWRPTA-VHSXEESVSA-N 1 0 377.844 2.850 20 0 GFADRO C[C@H]([NH3+])CN(C)C(=O)C(=O)Nc1ccccc1SC[C@H]1CC1(Cl)Cl ZINC000861540487 662249490 /nfs/dbraw/zinc/24/94/90/662249490.db2.gz VSDPVJPFYWTFEY-WDEREUQCSA-N 1 0 390.336 2.717 20 0 GFADRO C[C@@H]([NH3+])CN(C)C(=O)N[C@@H](C)c1nc(-c2ccc(Br)cc2)no1 ZINC000861611261 662250608 /nfs/dbraw/zinc/25/06/08/662250608.db2.gz LOHDRYRPGRKYDU-ZJUUUORDSA-N 1 0 382.262 2.549 20 0 GFADRO CCc1cc(Cl)cnc1NC(=O)C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000861671508 662254519 /nfs/dbraw/zinc/25/45/19/662254519.db2.gz NFXCFAXNYDIQIV-ZDUSSCGKSA-N 1 0 380.901 2.717 20 0 GFADRO CCCC[N@H+](C)C[C@H](C)NC(=O)c1cc(Br)c2ncc(C=O)n2c1 ZINC000861748909 662257260 /nfs/dbraw/zinc/25/72/60/662257260.db2.gz SVZUAQFYBNCOSI-LBPRGKRZSA-N 1 0 395.301 2.760 20 0 GFADRO C[C@H]([NH2+][C@@H]1CC[C@@H]2SCCS[C@H]12)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000862291992 662279429 /nfs/dbraw/zinc/27/94/29/662279429.db2.gz STYSMUHYYOHTSW-XFIYOXNOSA-N 1 0 388.599 2.980 20 0 GFADRO Cn1cc(CN2CCC(CCC[NH+]3CCOCC3)CC2)c(Br)n1 ZINC000862306451 662279675 /nfs/dbraw/zinc/27/96/75/662279675.db2.gz AHKLKFNQZXXMDW-UHFFFAOYSA-N 1 0 385.350 2.507 20 0 GFADRO COCO[C@H](C)c1cc(F)c(C[N@H+](C)CCC(N)=O)cc1Br ZINC000862366173 662283075 /nfs/dbraw/zinc/28/30/75/662283075.db2.gz MSMSCOQUVPSVIT-SNVBAGLBSA-N 1 0 377.254 2.577 20 0 GFADRO O=C1Nc2ccc(Br)cc2CC[C@H]1N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000863544619 662336001 /nfs/dbraw/zinc/33/60/01/662336001.db2.gz ZHEIUAHRBAMDEM-AEFFLSMTSA-N 1 0 378.314 2.778 20 0 GFADRO C[NH+](C)[C@@H]1C[C@H](NC(=O)c2cc3c(cc2Br)OCO3)C12CCC2 ZINC000864070357 662353543 /nfs/dbraw/zinc/35/35/43/662353543.db2.gz PUKQTFDMPMNTKV-LSDHHAIUSA-N 1 0 381.270 2.780 20 0 GFADRO CC[N@@H+]1CC[C@@H](CNC(=O)c2cc(Br)ncc2Br)C1 ZINC000864962579 662392643 /nfs/dbraw/zinc/39/26/43/662392643.db2.gz NOBWOZJRXPUUKF-VIFPVBQESA-N 1 0 391.107 2.678 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)c1cc(Br)ncc1Br ZINC000865007698 662394691 /nfs/dbraw/zinc/39/46/91/662394691.db2.gz VRWMLBVYGKGVKW-MRVPVSSYSA-N 1 0 389.091 2.573 20 0 GFADRO CCCN1Cc2cccc(NC(=O)Cn3ccc(Br)cc3=O)c2C1 ZINC000865135611 662400788 /nfs/dbraw/zinc/40/07/88/662400788.db2.gz OTCSCNSVSRUYMS-UHFFFAOYSA-N 1 0 390.281 2.975 20 0 GFADRO Cc1ccc([C@H](C[NH2+]Cc2cccnc2Br)N2CCOCC2)o1 ZINC000865404077 662419165 /nfs/dbraw/zinc/41/91/65/662419165.db2.gz AOLXRNXGMQLJFF-HNNXBMFYSA-N 1 0 380.286 2.909 20 0 GFADRO Cc1ccnc(CNCc2ccc(N3CC[NH+](C)CC3)nc2)c1Br ZINC000865410048 662419308 /nfs/dbraw/zinc/41/93/08/662419308.db2.gz GGFCINCFXFGTEL-UHFFFAOYSA-N 1 0 390.329 2.589 20 0 GFADRO Cc1c(Cl)cccc1C[NH2+]Cc1ccccc1S(=O)(=O)N(C)CCO ZINC000865463180 662422864 /nfs/dbraw/zinc/42/28/64/662422864.db2.gz XOODOLXPCVPZFQ-UHFFFAOYSA-N 1 0 382.913 2.551 20 0 GFADRO CC(C)(C)Oc1cccc(C[NH2+]C[C@H](O)CS(=O)(=O)c2cccs2)c1 ZINC000865507767 662425497 /nfs/dbraw/zinc/42/54/97/662425497.db2.gz HJNPEACFYGEFPG-HNNXBMFYSA-N 1 0 383.535 2.850 20 0 GFADRO COC(C)(C)c1nsc(Sc2nnc([C@@H]3CCC[NH2+]C3)n2C2CC2)n1 ZINC000865545013 662428075 /nfs/dbraw/zinc/42/80/75/662428075.db2.gz PNGPQIDIKYLEMU-SNVBAGLBSA-N 1 0 380.543 2.964 20 0 GFADRO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+]C2CCC(CNC(C)=O)CC2)c1 ZINC000865602326 662431709 /nfs/dbraw/zinc/43/17/09/662431709.db2.gz WIIRAKWMTKYTRK-UHFFFAOYSA-N 1 0 386.945 2.918 20 0 GFADRO C[C@@](CO)(Cc1ccc(Br)cc1)[NH2+]Cc1cc(C(N)=O)cs1 ZINC000865715470 662438519 /nfs/dbraw/zinc/43/85/19/662438519.db2.gz UBGYQMHSLCPLOU-INIZCTEOSA-N 1 0 383.311 2.693 20 0 GFADRO C[C@@](CO)(Cc1ccc(Br)cc1)[NH2+]Cc1ccc(C(N)=O)cc1 ZINC000865716510 662438571 /nfs/dbraw/zinc/43/85/71/662438571.db2.gz USKVIRBAVPDNDF-SFHVURJKSA-N 1 0 377.282 2.631 20 0 GFADRO C[NH+]1CCC(N2CC[C@H](NC(=O)c3ccc(SC(F)(F)F)o3)C2)CC1 ZINC000865749641 662440857 /nfs/dbraw/zinc/44/08/57/662440857.db2.gz USRLCVDEXVNXNK-NSHDSACASA-N 1 0 377.432 2.790 20 0 GFADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+]CCC(C)(C)OC ZINC000865754824 662441715 /nfs/dbraw/zinc/44/17/15/662441715.db2.gz MDOONDNVMOCSMG-GFCCVEGCSA-N 1 0 387.318 2.867 20 0 GFADRO C[NH+](C)CCOC1CCN(C(=O)c2nc(Br)sc2Cl)CC1 ZINC000865780164 662443058 /nfs/dbraw/zinc/44/30/58/662443058.db2.gz GIRXHHMJSZVDCF-UHFFFAOYSA-N 1 0 396.738 2.742 20 0 GFADRO CC[NH+]1CCN([C@H](C)CNC(=O)/C(C)=C\c2ccc(Br)o2)CC1 ZINC000865791789 662443872 /nfs/dbraw/zinc/44/38/72/662443872.db2.gz LKIWEZJMTLBQSA-YBEMTRGBSA-N 1 0 384.318 2.588 20 0 GFADRO CNS(=O)(=O)c1ccc(CC[NH2+]Cc2ccc(CSC(F)F)o2)cc1 ZINC000865818623 662445545 /nfs/dbraw/zinc/44/55/45/662445545.db2.gz DNDBLCRJSOWONP-UHFFFAOYSA-N 1 0 390.477 2.976 20 0 GFADRO CN1CC[C@@H]([NH+]2CCC(Nc3ccc(C(F)(F)F)c(Cl)n3)CC2)C1=O ZINC000865885917 662449437 /nfs/dbraw/zinc/44/94/37/662449437.db2.gz BWJNCSLSDNDVSZ-GFCCVEGCSA-N 1 0 376.810 2.861 20 0 GFADRO O=C(c1cc(Br)no1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000866011765 662456470 /nfs/dbraw/zinc/45/64/70/662456470.db2.gz KTELXMCQCKSYQG-UONOGXRCSA-N 1 0 376.254 2.784 20 0 GFADRO CS(=O)(=O)CCOCC[NH2+][C@@H](c1cccc(Br)c1)C1CCC1 ZINC000866301655 662467504 /nfs/dbraw/zinc/46/75/04/662467504.db2.gz QICKNYNFJNQKDW-MRXNPFEDSA-N 1 0 390.343 2.941 20 0 GFADRO CC(=O)N[C@H](C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1)c1cccc(Br)c1 ZINC000866367438 662469041 /nfs/dbraw/zinc/46/90/41/662469041.db2.gz YISYULSSBPZKCD-BBWFWOEESA-N 1 0 396.329 2.615 20 0 GFADRO C[C@H](CCc1cccnc1)[NH2+]CCNC(=O)c1ccc(Br)cn1 ZINC000866387013 662469985 /nfs/dbraw/zinc/46/99/85/662469985.db2.gz OCPQHVAWDOVPEQ-CYBMUJFWSA-N 1 0 377.286 2.580 20 0 GFADRO Cc1ccc(Br)c(CS(=O)(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000866484349 662476360 /nfs/dbraw/zinc/47/63/60/662476360.db2.gz UGDUVKLOSIXWFH-CYBMUJFWSA-N 1 0 387.343 2.661 20 0 GFADRO C[C@H]([NH2+]C[C@]12COC(=O)N1CCOC2)c1ccc(Br)c(Cl)c1 ZINC000866523911 662478964 /nfs/dbraw/zinc/47/89/64/662478964.db2.gz WXSSMYIEHXGQLU-BONVTDFDSA-N 1 0 389.677 2.974 20 0 GFADRO C[C@H]([NH2+]Cc1nc(C(F)(F)F)n2c1CCCC2)C1CCS(=O)(=O)CC1 ZINC000866560516 662480334 /nfs/dbraw/zinc/48/03/34/662480334.db2.gz VAJJXFPQIUXRJD-NSHDSACASA-N 1 0 379.448 2.541 20 0 GFADRO C[C@@H]([NH2+][C@@H]1COc2cccc(Br)c2C1)C1CCS(=O)(=O)CC1 ZINC000866594306 662482936 /nfs/dbraw/zinc/48/29/36/662482936.db2.gz CGEDTQUPCWZZPG-YPMHNXCESA-N 1 0 388.327 2.556 20 0 GFADRO O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)c1nc(Br)sc1Cl ZINC000866606658 662483589 /nfs/dbraw/zinc/48/35/89/662483589.db2.gz DOHHKAJTPRCKHM-VIFPVBQESA-N 1 0 394.722 2.542 20 0 GFADRO C/C(=C/c1ccc(Br)o1)C(=O)NCC1(O)CC[NH+](C(C)C)CC1 ZINC000866613311 662483951 /nfs/dbraw/zinc/48/39/51/662483951.db2.gz ASCOFHJKINAGEB-RAXLEYEMSA-N 1 0 385.302 2.797 20 0 GFADRO C[C@@H](CCCc1cccnc1)[NH2+]Cc1c(I)cnn1C ZINC000866631300 662485894 /nfs/dbraw/zinc/48/58/94/662485894.db2.gz KTWULMOKEMIGID-LBPRGKRZSA-N 1 0 384.265 2.921 20 0 GFADRO CC[C@H]1CN(S(=O)(=O)c2oc3ccccc3c2Br)CC[C@@H]1[NH3+] ZINC000866758841 662495375 /nfs/dbraw/zinc/49/53/75/662495375.db2.gz XZIPNKANPCBUFD-JQWIXIFHSA-N 1 0 387.299 2.943 20 0 GFADRO O=S(=O)(c1oc2ccccc2c1Br)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000866765713 662495709 /nfs/dbraw/zinc/49/57/09/662495709.db2.gz AFUVBZVQAOWEOA-JQWIXIFHSA-N 1 0 385.283 2.568 20 0 GFADRO O=S(=O)(c1cc2nc(Cl)ncc2s1)N1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000866769251 662496277 /nfs/dbraw/zinc/49/62/77/662496277.db2.gz IZBDFOWFFAQOBU-ZYHUDNBSSA-N 1 0 386.930 2.640 20 0 GFADRO O=S(=O)(Cc1ccc(F)cc1Cl)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000866792295 662499025 /nfs/dbraw/zinc/49/90/25/662499025.db2.gz YHTOBFYNKAHTPV-INIZCTEOSA-N 1 0 390.908 2.542 20 0 GFADRO [NH3+]CC12CCC(CC1)N2S(=O)(=O)c1oc2ccccc2c1Br ZINC000866794140 662499131 /nfs/dbraw/zinc/49/91/31/662499131.db2.gz LDTSOOYNRUUGRQ-UHFFFAOYSA-N 1 0 385.283 2.840 20 0 GFADRO [NH3+][C@H]1C[C@@H](CNS(=O)(=O)c2cc(Cl)c(Cl)cc2Br)C1 ZINC000866806437 662500248 /nfs/dbraw/zinc/50/02/48/662500248.db2.gz XZVSKSPGPMHEFI-KNVOCYPGSA-N 1 0 388.114 2.772 20 0 GFADRO O=S(=O)(/C=C/c1ccccc1Br)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000866808902 662500506 /nfs/dbraw/zinc/50/05/06/662500506.db2.gz BXUPDZHRVGGRBN-GCIUIZLWSA-N 1 0 385.327 2.870 20 0 GFADRO C[C@@H](NS(=O)(=O)Cc1ccc(Br)cc1Cl)C1CC[NH2+]CC1 ZINC000866811460 662500971 /nfs/dbraw/zinc/50/09/71/662500971.db2.gz XHOVDSREHMCJNC-SNVBAGLBSA-N 1 0 395.750 2.910 20 0 GFADRO O=S(=O)(c1cccc(Br)c1Cl)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000866822786 662502076 /nfs/dbraw/zinc/50/20/76/662502076.db2.gz CXYSUXXVKKTJAA-WDEREUQCSA-N 1 0 379.707 2.618 20 0 GFADRO O=S(=O)(c1ccc(Cl)cc1Br)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000866825369 662502226 /nfs/dbraw/zinc/50/22/26/662502226.db2.gz QBMPPBXAJKXRNW-NWDGAFQWSA-N 1 0 379.707 2.618 20 0 GFADRO C[NH+]1CCC([C@@H]2CCN(C(=O)c3cc(Br)cn4ccnc34)C2)CC1 ZINC000866977080 662514006 /nfs/dbraw/zinc/51/40/06/662514006.db2.gz LWQYMAJPRHJIPV-CQSZACIVSA-N 1 0 391.313 2.901 20 0 GFADRO C[NH+]1CCC2(CCCN(S(=O)(=O)c3cc(Cl)cnc3Cl)C2)CC1 ZINC000867225255 662533202 /nfs/dbraw/zinc/53/32/02/662533202.db2.gz KZTQPLMCEFMKLF-UHFFFAOYSA-N 1 0 378.325 2.885 20 0 GFADRO CC[N@@H+]1CCCN(S(=O)(=O)c2cnc(Cl)c(Br)c2)[C@H](C)C1 ZINC000867396017 662547289 /nfs/dbraw/zinc/54/72/89/662547289.db2.gz VAYQXJMYSRJVKQ-SNVBAGLBSA-N 1 0 396.738 2.602 20 0 GFADRO COc1cc(Cl)c(S(=O)(=O)N2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)cc1Cl ZINC000867812292 662579258 /nfs/dbraw/zinc/57/92/58/662579258.db2.gz JJNINDGNWIVGHF-GWCFXTLKSA-N 1 0 379.309 2.717 20 0 GFADRO C[N@@H+]1CC[C@H]2CN(S(=O)(=O)c3cc(Br)sc3Cl)CC[C@@H]21 ZINC000867813103 662579402 /nfs/dbraw/zinc/57/94/02/662579402.db2.gz QMMZJTQONFGINO-IUCAKERBSA-N 1 0 399.763 2.879 20 0 GFADRO CCO[C@@H](C)c1noc(CN(C)C(=O)[C@H]([NH3+])c2cccc(Br)c2)n1 ZINC000867954002 662589222 /nfs/dbraw/zinc/58/92/22/662589222.db2.gz HWBRJNWLGMFWKQ-IINYFYTJSA-N 1 0 397.273 2.588 20 0 GFADRO CN(C(=O)c1c(F)ccc(I)c1Cl)[C@H]1CC[NH2+]C1 ZINC000867964070 662589773 /nfs/dbraw/zinc/58/97/73/662589773.db2.gz UMEXEOVPVJABOC-ZETCQYMHSA-N 1 0 382.604 2.518 20 0 GFADRO Cc1nn(C)c(C)c1CCCNC(=O)[C@@H]([NH3+])c1cccc(Br)c1 ZINC000867979860 662590493 /nfs/dbraw/zinc/59/04/93/662590493.db2.gz PGPOOYVUOGQXHI-INIZCTEOSA-N 1 0 379.302 2.548 20 0 GFADRO CS(=O)(=O)c1ccc(Cl)c(C(=O)N2C[C@@H](C[NH3+])Cc3ccccc32)c1 ZINC000868047831 662592619 /nfs/dbraw/zinc/59/26/19/662592619.db2.gz TYAAMWWMJBEWRZ-GFCCVEGCSA-N 1 0 378.881 2.521 20 0 GFADRO Cc1nn(-c2ccc(C(=O)N3CC[C@@](C)([NH3+])C3)cc2)c(C)c1Br ZINC000868074465 662593737 /nfs/dbraw/zinc/59/37/37/662593737.db2.gz JCNBVQLAUDFBMR-QGZVFWFLSA-N 1 0 377.286 2.815 20 0 GFADRO CC(C)(C)[C@@]1(C[NH3+])CCN(C(=O)Nc2ccc(Cl)c(S(C)(=O)=O)c2)C1 ZINC000868151643 662596634 /nfs/dbraw/zinc/59/66/34/662596634.db2.gz JKUDIPRLAZMJIQ-QGZVFWFLSA-N 1 0 387.933 2.972 20 0 GFADRO CNC(=O)c1cccc(NC(=O)NC[C@H]2CCC(C)(C)C[NH2+]2)c1Br ZINC000868157689 662597024 /nfs/dbraw/zinc/59/70/24/662597024.db2.gz DXNGFVPFPCFTJE-LLVKDONJSA-N 1 0 397.317 2.708 20 0 GFADRO COCCC1(NC(=O)N[C@@H](c2nc(C)cs2)C(F)(F)F)CC[NH2+]CC1 ZINC000868161260 662597164 /nfs/dbraw/zinc/59/71/64/662597164.db2.gz UNKVFLQFKKSVAX-NSHDSACASA-N 1 0 380.436 2.513 20 0 GFADRO COc1ccc(CNC(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)cc1Br ZINC000868194530 662598442 /nfs/dbraw/zinc/59/84/42/662598442.db2.gz TYZGBZAECKWNJE-DZGCQCFKSA-N 1 0 382.302 2.693 20 0 GFADRO O=C(Cc1coc2c1ccc(Cl)c2Cl)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000868343083 662602447 /nfs/dbraw/zinc/60/24/47/662602447.db2.gz GCZPMGCOPYJTLV-STQMWFEESA-N 1 0 383.275 2.950 20 0 GFADRO CSC1(CNC(=O)c2cc(Br)cn3ccnc23)CC[NH+](C)CC1 ZINC000868442316 662605229 /nfs/dbraw/zinc/60/52/29/662605229.db2.gz LEFQMYVEERZJME-UHFFFAOYSA-N 1 0 397.342 2.654 20 0 GFADRO CC(C)n1ncc(C(=O)N2CCC([N@@H+]3CCOC[C@@H]3C)CC2)c1Br ZINC000868479055 662606687 /nfs/dbraw/zinc/60/66/87/662606687.db2.gz QRTLPHFVKLZVSX-ZDUSSCGKSA-N 1 0 399.333 2.552 20 0 GFADRO C[NH+](C)Cc1ccsc1C(=O)N1CC(O)(c2ccc(Br)cc2)C1 ZINC000869341993 662642608 /nfs/dbraw/zinc/64/26/08/662642608.db2.gz KQMCEZQZRWMLCH-UHFFFAOYSA-N 1 0 395.322 2.916 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)CC[NH2+]CC1CC1 ZINC000870853457 662703551 /nfs/dbraw/zinc/70/35/51/662703551.db2.gz HKLUFQKZYWJLTP-UHFFFAOYSA-N 1 0 382.302 2.544 20 0 GFADRO O=C(CCC12CC(C1)C[NH2+]2)N1CCO[C@H](c2cccc(Br)c2)C1 ZINC000870876870 662704377 /nfs/dbraw/zinc/70/43/77/662704377.db2.gz QCUTZANPYJUAKR-MNQCNDSGSA-N 1 0 379.298 2.881 20 0 GFADRO [NH3+][C@@H](C(=O)N1CCCN(c2nccs2)CC1)c1cccc(Br)c1 ZINC000870874406 662704379 /nfs/dbraw/zinc/70/43/79/662704379.db2.gz JZWCKIOACSEQKI-CQSZACIVSA-N 1 0 395.326 2.644 20 0 GFADRO [NH3+][C@H]1CC[C@@H](C(=O)N2CCN(Cc3ccc(Br)cc3)CC2)CC1 ZINC000870907699 662707609 /nfs/dbraw/zinc/70/76/09/662707609.db2.gz VRYQOMVETYLRTF-WOVMCDHWSA-N 1 0 380.330 2.611 20 0 GFADRO O=C(Nc1nnc(CC(F)(F)F)s1)c1csc(C2CC[NH2+]CC2)n1 ZINC000870908467 662707761 /nfs/dbraw/zinc/70/77/61/662707761.db2.gz MAKUERYJJTXSSI-UHFFFAOYSA-N 1 0 377.417 2.819 20 0 GFADRO O=C([C@H]1[C@@H]2c3cc(Br)ccc3C[C@H]12)N1CCC2(C1)CC[NH2+]CC2 ZINC000870938999 662709324 /nfs/dbraw/zinc/70/93/24/662709324.db2.gz IRORGKHSXIFDPP-GVDBMIGSSA-N 1 0 375.310 2.937 20 0 GFADRO CC(=O)N[C@@H](C(=O)NC[C@H]1CC[C@H](C[NH3+])CC1)c1cccc(Br)c1 ZINC000870942843 662709720 /nfs/dbraw/zinc/70/97/20/662709720.db2.gz BBIRXCVPWRCTKP-CKEIUWERSA-N 1 0 396.329 2.508 20 0 GFADRO C[N@@H+]1CCN(C(=O)c2ccc3cncc(Br)c3n2)CCC1(C)C ZINC000871158399 662716657 /nfs/dbraw/zinc/71/66/57/662716657.db2.gz AUNJRAPEVHPTJZ-UHFFFAOYSA-N 1 0 377.286 2.949 20 0 GFADRO O=c1c2cnn(C3CC[NH2+]CC3)c2ncn1Cc1cc(Cl)cc(Cl)c1 ZINC000871674910 662730762 /nfs/dbraw/zinc/73/07/62/662730762.db2.gz DKYRWLIMYCTXID-UHFFFAOYSA-N 1 0 378.263 2.873 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCCCN1S(=O)(=O)c1cc2c(cc1Cl)CCCC(=O)N2 ZINC000871803634 662734402 /nfs/dbraw/zinc/73/44/02/662734402.db2.gz MBPWTBUBRZNCDQ-NHYWBVRUSA-N 1 0 385.917 2.505 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CCCCN1S(=O)(=O)c1cc2c(cc1Cl)CCCC(=O)N2 ZINC000871803633 662734425 /nfs/dbraw/zinc/73/44/25/662734425.db2.gz MBPWTBUBRZNCDQ-IAQYHMDHSA-N 1 0 385.917 2.505 20 0 GFADRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2cc(Cl)ccc2Cl)C[C@@H]1C(F)(F)F ZINC000871809715 662734618 /nfs/dbraw/zinc/73/46/18/662734618.db2.gz BHNOJYYYKMIZON-APPZFPTMSA-N 1 0 377.215 2.751 20 0 GFADRO [NH3+]C[C@H]1CN(S(=O)(=O)c2ccc(F)c(C(F)F)c2)C[C@@H]1C(F)(F)F ZINC000871813020 662735253 /nfs/dbraw/zinc/73/52/53/662735253.db2.gz NLXSGGAJMKQSGJ-XVKPBYJWSA-N 1 0 376.322 2.521 20 0 GFADRO CN(CCCCCC[NH3+])S(=O)(=O)Cc1cc(F)ccc1Br ZINC000871823008 662736002 /nfs/dbraw/zinc/73/60/02/662736002.db2.gz MPAMNFUXYXWXCC-UHFFFAOYSA-N 1 0 381.311 2.869 20 0 GFADRO OCC1(C[NH2+][C@@H](c2cccc(Br)c2)[C@@H]2CCOC2)CCOCC1 ZINC000872050651 662754892 /nfs/dbraw/zinc/75/48/92/662754892.db2.gz AVZYZOJNHASPEY-WBVHZDCISA-N 1 0 384.314 2.905 20 0 GFADRO [NH3+]C[C@@H]1CN(CCC(=O)Nc2ccccc2Br)C[C@H]1C(F)(F)F ZINC000872148036 662756559 /nfs/dbraw/zinc/75/65/59/662756559.db2.gz HFEFTDFDZCQNOZ-GHMZBOCLSA-N 1 0 394.235 2.847 20 0 GFADRO CC[C@@H]1c2ccsc2CCN1C(=O)CN1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000872151821 662757058 /nfs/dbraw/zinc/75/70/58/662757058.db2.gz XWLKDZOWMMMXPF-FPMFFAJLSA-N 1 0 375.460 2.653 20 0 GFADRO CS(=O)(=O)Cc1nc(CN2CCC[C@H](C[C@@H]([NH3+])C3CCCC3)C2)cs1 ZINC000872156319 662757136 /nfs/dbraw/zinc/75/71/36/662757136.db2.gz HYSBKFHUTUDDKG-RHSMWYFYSA-N 1 0 385.599 2.807 20 0 GFADRO CCOc1ccc(Br)cc1-c1noc([C@]2(C[NH3+])CCCOC2)n1 ZINC000872178594 662757419 /nfs/dbraw/zinc/75/74/19/662757419.db2.gz YXNYBPQPSBFNCY-INIZCTEOSA-N 1 0 382.258 2.905 20 0 GFADRO CC(C)(O)C[C@H](O)C[NH2+]Cc1ccc(I)c(Cl)c1 ZINC000872207771 662758052 /nfs/dbraw/zinc/75/80/52/662758052.db2.gz BVFMTFAINGUPDN-JTQLQIEISA-N 1 0 383.657 2.556 20 0 GFADRO O[C@H](C[NH2+]CC1(c2ccc(Br)cc2)CC1)COC1CCOCC1 ZINC000872248153 662759227 /nfs/dbraw/zinc/75/92/27/662759227.db2.gz QSZMKGMCTUCZOI-MRXNPFEDSA-N 1 0 384.314 2.627 20 0 GFADRO C[NH+](C)Cc1ccc(NS(=O)(=O)N=[S@@](C)(=O)c2ccccc2)c(F)c1 ZINC000872375880 662763622 /nfs/dbraw/zinc/76/36/22/662763622.db2.gz WZUHHSCTJODYLP-DEOSSOPVSA-N 1 0 385.486 2.701 20 0 GFADRO C[C@@H](CO[C@@H]1CCOC1)[NH2+]Cc1cccc(F)c1I ZINC000873074648 662798948 /nfs/dbraw/zinc/79/89/48/662798948.db2.gz OAFVXTLAILVJOY-CMPLNLGQSA-N 1 0 379.213 2.714 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)N(C)CCCCCC[NH3+] ZINC000873110934 662800205 /nfs/dbraw/zinc/80/02/05/662800205.db2.gz ZCVRUZDRIBMDBF-UHFFFAOYSA-N 1 0 384.318 2.982 20 0 GFADRO CO[C@H]1COCC[C@@H]1C[NH2+]Cc1cccc(F)c1I ZINC000873131111 662800969 /nfs/dbraw/zinc/80/09/69/662800969.db2.gz MBNPAFDCCKRFCM-MFKMUULPSA-N 1 0 379.213 2.571 20 0 GFADRO O=C1C[C@@H](C[NH2+]Cc2cccc(F)c2I)CN1C1CC1 ZINC000873133532 662801164 /nfs/dbraw/zinc/80/11/64/662801164.db2.gz QUWARLMXODDOKB-JTQLQIEISA-N 1 0 388.224 2.531 20 0 GFADRO COCCC1(NCc2cc(Br)c3c(c2)OCCCO3)CC[NH2+]CC1 ZINC000873224788 662803919 /nfs/dbraw/zinc/80/39/19/662803919.db2.gz MHQUAKNNKZOHEY-UHFFFAOYSA-N 1 0 399.329 2.859 20 0 GFADRO C[C@]12C[NH2+]C[C@H]1CN(C(=O)Nc1cnn(-c3ccccc3Br)c1)C2 ZINC000873313336 662805255 /nfs/dbraw/zinc/80/52/55/662805255.db2.gz BUTRCQSDWZZGEE-YVEFUNNKSA-N 1 0 390.285 2.708 20 0 GFADRO CNC(=O)c1cccc(NC(=O)N(C)CCCCCC[NH3+])c1Br ZINC000873324358 662805464 /nfs/dbraw/zinc/80/54/64/662805464.db2.gz LTGYCPYNUOVMTA-UHFFFAOYSA-N 1 0 385.306 2.792 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)N[C@H](c2nccs2)C(F)(F)F)C[C@@H]1C(F)(F)F ZINC000873327286 662805540 /nfs/dbraw/zinc/80/55/40/662805540.db2.gz HLZLMDHRSORGHZ-GJMOJQLCSA-N 1 0 376.326 2.525 20 0 GFADRO Cc1cc(Br)nc(NC(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)c1 ZINC000873330521 662805661 /nfs/dbraw/zinc/80/56/61/662805661.db2.gz XFMJOFGZZOGBKA-RKDXNWHRSA-N 1 0 381.196 2.753 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)Nc2ncc(C3CCOCC3)s2)C[C@@H]1C(F)(F)F ZINC000873329147 662805670 /nfs/dbraw/zinc/80/56/70/662805670.db2.gz UATQLWHOTJEWKV-QWRGUYRKSA-N 1 0 378.420 2.638 20 0 GFADRO CCc1ccc(Br)c(NC(=O)C(=O)NC2CC[NH+](C(C)C)CC2)c1 ZINC000873654610 662811290 /nfs/dbraw/zinc/81/12/90/662811290.db2.gz OMSHWYMVALYFIK-UHFFFAOYSA-N 1 0 396.329 2.939 20 0 GFADRO CCc1ccc(Br)c(NC(=O)C(=O)N2CCC([NH+](C)C)CC2)c1 ZINC000873682795 662811803 /nfs/dbraw/zinc/81/18/03/662811803.db2.gz GCGPBYCNFGRDLZ-UHFFFAOYSA-N 1 0 382.302 2.503 20 0 GFADRO Nc1cc(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc(Br)n1 ZINC000873741713 662813096 /nfs/dbraw/zinc/81/30/96/662813096.db2.gz WMWOAEATXUQBIT-UHFFFAOYSA-N 1 0 389.297 2.821 20 0 GFADRO CC(C)[C@@H](CNC(=O)c1cc(F)c(Cl)c(N)c1Cl)[NH+]1CCN(C)CC1 ZINC000874466515 662831782 /nfs/dbraw/zinc/83/17/82/662831782.db2.gz SGQOQTZQYOCMGI-CYBMUJFWSA-N 1 0 391.318 2.717 20 0 GFADRO C[N@@H+]1CCC[C@H]2[C@H]1CCN2C(=O)c1cc(Br)cc2c1OCCO2 ZINC000874825025 662837412 /nfs/dbraw/zinc/83/74/12/662837412.db2.gz NOJQYYTUVDDFFP-KGLIPLIRSA-N 1 0 381.270 2.529 20 0 GFADRO CC(=O)c1cc(Br)ccc1OCC(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2C ZINC000874826556 662837456 /nfs/dbraw/zinc/83/74/56/662837456.db2.gz ABBFBHSZYLVDCG-JKSUJKDBSA-N 1 0 395.297 2.726 20 0 GFADRO C[N@@H+]1CCC[C@H]2[C@H]1CCN2C(=O)c1ccn(-c2cccc(Br)c2)n1 ZINC000874836715 662837953 /nfs/dbraw/zinc/83/79/53/662837953.db2.gz DGVJDMNJFVLSAT-SJORKVTESA-N 1 0 389.297 2.944 20 0 GFADRO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)c1cnn(-c2cccc(Br)c2)c1 ZINC000874840603 662838201 /nfs/dbraw/zinc/83/82/01/662838201.db2.gz PPYABERKOWMEFP-DLBZAZTESA-N 1 0 389.297 2.944 20 0 GFADRO Cc1cc(NC(=O)[C@H]2CC[N@@H+](C)C[C@@H]2c2cnn(C)c2)ncc1Br ZINC000875416644 662845729 /nfs/dbraw/zinc/84/57/29/662845729.db2.gz AXRGBEGYFLVHPF-UONOGXRCSA-N 1 0 392.301 2.560 20 0 GFADRO C[NH+](C)C[C@@H](NC(=O)NOC[C@@H]1CCOC1)c1ccc(Cl)c(Cl)c1 ZINC000875524126 662847350 /nfs/dbraw/zinc/84/73/50/662847350.db2.gz BHXGTQQVLXPTCO-IAQYHMDHSA-N 1 0 376.284 2.863 20 0 GFADRO [NH3+][C@H](C(=O)N[C@H]1CCCc2[nH]c(=O)ccc21)c1cccc(Br)c1 ZINC000876573091 662862953 /nfs/dbraw/zinc/86/29/53/662862953.db2.gz UZBBRZKHXJYQJV-HOCLYGCPSA-N 1 0 376.254 2.743 20 0 GFADRO Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)NCc1ccccc1Br ZINC000876578661 662863053 /nfs/dbraw/zinc/86/30/53/662863053.db2.gz WRQCUSROOIRZHQ-CQSZACIVSA-N 1 0 377.286 2.809 20 0 GFADRO O=C(/C=C/[C@H]1CCC[NH2+]C1)NCCc1ccc(I)s1 ZINC000876646887 662864293 /nfs/dbraw/zinc/86/42/93/662864293.db2.gz YYGCCICWZPPPKH-ZXCPCRMDSA-N 1 0 390.290 2.567 20 0 GFADRO CC1(C)[C@H](C(=O)Nc2cc(Br)ccc2N2CCOCC2)C[C@@H]1[NH3+] ZINC000876712244 662865228 /nfs/dbraw/zinc/86/52/28/662865228.db2.gz CRKXUOWQIFESRR-WFASDCNBSA-N 1 0 382.302 2.598 20 0 GFADRO O=C(/C=C\[C@@H]1CCC[NH2+]C1)NCCOc1ncc(C(F)(F)F)cc1Cl ZINC000876772071 662866147 /nfs/dbraw/zinc/86/61/47/662866147.db2.gz GKZLTVPCVWYLHG-BYCRGOAPSA-N 1 0 377.794 2.805 20 0 GFADRO CC(C)n1ncc(C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)c1Br ZINC000876837486 662867076 /nfs/dbraw/zinc/86/70/76/662867076.db2.gz DHLVRYSYEFPNER-LSDHHAIUSA-N 1 0 377.286 2.793 20 0 GFADRO COCCOc1ccc(Br)cc1NC(=O)/C=C\[C@@H]1CCC[NH2+]C1 ZINC000876877142 662867547 /nfs/dbraw/zinc/86/75/47/662867547.db2.gz OEMMOFOLBLJYDN-IRBQFCFKSA-N 1 0 383.286 2.969 20 0 GFADRO [NH3+]C[C@@H]1[C@H](C(=O)NCc2cc(Br)ccc2Br)C1(F)F ZINC000876880414 662867618 /nfs/dbraw/zinc/86/76/18/662867618.db2.gz UIZZVPFODJYTMU-PSASIEDQSA-N 1 0 398.045 2.668 20 0 GFADRO CCN1CC[C@H](NC(=O)[C@@H]2[C@H](C[NH3+])C2(F)F)[C@H]1c1ccc(Cl)c(F)c1 ZINC000876892046 662867636 /nfs/dbraw/zinc/86/76/36/662867636.db2.gz GFHQAVLRJMUDBR-FBUXBERBSA-N 1 0 375.822 2.571 20 0 GFADRO C[S@](=O)C1(C(=O)Nc2ccc(OCC(F)(F)F)c(Cl)c2)CC[NH2+]CC1 ZINC000876893251 662867758 /nfs/dbraw/zinc/86/77/58/662867758.db2.gz DIRXRJDVUCCLSF-VWLOTQADSA-N 1 0 398.834 2.720 20 0 GFADRO O=C(NCc1cc(Cl)cc(I)c1)[C@H](F)[C@@H]1CC[NH2+]C1 ZINC000876931333 662868387 /nfs/dbraw/zinc/86/83/87/662868387.db2.gz LULNLDMFXNOSID-BXKDBHETSA-N 1 0 396.631 2.508 20 0 GFADRO [NH3+]CCCCCCNC(=O)[C@@H]1CCC(=O)N1Cc1ccc(Br)cc1 ZINC000876938064 662868388 /nfs/dbraw/zinc/86/83/88/662868388.db2.gz OASUQECDSOUHOK-INIZCTEOSA-N 1 0 396.329 2.575 20 0 GFADRO C[C@]1(CCNC(=O)c2nnn(C3CC[NH2+]CC3)c2C(F)F)C[C@]1(F)Cl ZINC000876945203 662868457 /nfs/dbraw/zinc/86/84/57/662868457.db2.gz VSBYBZKYDGFCPU-LSDHHAIUSA-N 1 0 379.814 2.575 20 0 GFADRO [NH3+]C[C@@H]1[C@H](C(=O)N2CCc3[nH]c4ccc(Br)cc4c3C2)C1(F)F ZINC000876963584 662868732 /nfs/dbraw/zinc/86/87/32/662868732.db2.gz RYQQZLWORKDZMI-BXUZGUMPSA-N 1 0 384.224 2.655 20 0 GFADRO O=C(N1CCOC[C@H]1c1cccc(Br)c1)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000876970273 662868849 /nfs/dbraw/zinc/86/88/49/662868849.db2.gz NGLYXTNQXZMQPJ-JZXOWHBKSA-N 1 0 379.298 2.881 20 0 GFADRO CN(CCC[NH2+]Cc1cnn2cc(Br)cnc12)C(=O)OC(C)(C)C ZINC000877015908 662869685 /nfs/dbraw/zinc/86/96/85/662869685.db2.gz FTCLZANIZAUSJQ-UHFFFAOYSA-N 1 0 398.305 2.838 20 0 GFADRO Cn1c(C(=O)NC2(C[NH3+])CCOCC2)ccc1-c1ccc(Br)cc1 ZINC000877044705 662870216 /nfs/dbraw/zinc/87/02/16/662870216.db2.gz FFEZKFKDHRGWMJ-UHFFFAOYSA-N 1 0 392.297 2.692 20 0 GFADRO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000877049269 662870231 /nfs/dbraw/zinc/87/02/31/662870231.db2.gz BJHANVLQMGMPAX-CABZTGNLSA-N 1 0 379.254 2.734 20 0 GFADRO CN1C(=O)N[C@@]2(CCC[C@H]2C[NH2+]Cc2cc3nc(Cl)ccc3s2)C1=O ZINC000877075374 662870695 /nfs/dbraw/zinc/87/06/95/662870695.db2.gz AMUSBVYPXKPYSF-DYZYQPBXSA-N 1 0 378.885 2.760 20 0 GFADRO CN1C(=O)N[C@]2(CCC[C@H]2C[NH2+]Cc2cc3nc(Cl)ccc3s2)C1=O ZINC000877075371 662870766 /nfs/dbraw/zinc/87/07/66/662870766.db2.gz AMUSBVYPXKPYSF-BTDLBPIBSA-N 1 0 378.885 2.760 20 0 GFADRO COCCC1(NC(=O)[C@@H]2[C@@H]3Cc4c(cccc4Br)[C@@H]32)CC[NH2+]CC1 ZINC000877268904 662872895 /nfs/dbraw/zinc/87/28/95/662872895.db2.gz YBXNTPIQQOSYSB-HYVNUMGLSA-N 1 0 393.325 2.610 20 0 GFADRO O=C(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)c1ccc(Cl)c(Br)c1 ZINC000877330891 662873744 /nfs/dbraw/zinc/87/37/44/662873744.db2.gz IKRIDARDNSUPPB-LBPRGKRZSA-N 1 0 387.705 2.991 20 0 GFADRO O=C(NC[C@H]1CC2(CO1)CC[NH2+]CC2)c1cccc(Br)c1Cl ZINC000877328884 662873752 /nfs/dbraw/zinc/87/37/52/662873752.db2.gz MAAISYWUHQKZRI-LLVKDONJSA-N 1 0 387.705 2.991 20 0 GFADRO CC(C)([NH2+]CC1CCS(=O)(=O)CC1)[C@H](O)c1ccc(Br)cc1 ZINC000877361266 662874525 /nfs/dbraw/zinc/87/45/25/662874525.db2.gz QUYXIHOXKKIAAX-OAHLLOKOSA-N 1 0 390.343 2.676 20 0 GFADRO O=C(N[C@]12CCC[C@@H]1[NH2+]CC2)c1ncc(Br)cc1Br ZINC000877389685 662875266 /nfs/dbraw/zinc/87/52/66/662875266.db2.gz OIVXPDZSSRWUIL-GWCFXTLKSA-N 1 0 389.091 2.621 20 0 GFADRO COc1ccc(Br)cc1C(=O)CCC(=O)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000877400501 662875510 /nfs/dbraw/zinc/87/55/10/662875510.db2.gz VRNFQYWEZFNXLW-SJLPKXTDSA-N 1 0 395.297 2.821 20 0 GFADRO C[C@@H](CC[NH+]1CCN(C)CC1)NCc1nc(Cl)ccc1Br ZINC000877405164 662875642 /nfs/dbraw/zinc/87/56/42/662875642.db2.gz JEUFEEOPQVYMHK-LBPRGKRZSA-N 1 0 375.742 2.613 20 0 GFADRO Cc1cc(C)cc([C@H](O)C[NH2+]Cc2cnn3cc(Br)cnc23)c1 ZINC000877503518 662877324 /nfs/dbraw/zinc/87/73/24/662877324.db2.gz ONKYSENGBXSFIA-MRXNPFEDSA-N 1 0 375.270 2.932 20 0 GFADRO O=S1(=O)CCC(C[NH2+]CCc2c[nH]c3cccc(Br)c23)CC1 ZINC000877539135 662878486 /nfs/dbraw/zinc/87/84/86/662878486.db2.gz JJRNJBNLRSRCSW-UHFFFAOYSA-N 1 0 385.327 2.887 20 0 GFADRO C[C@H](CN(C)C(=O)OC(C)(C)C)[NH2+]Cc1cnn2cc(Br)cnc12 ZINC000877641116 662880578 /nfs/dbraw/zinc/88/05/78/662880578.db2.gz MIYGDBQKJZGTFH-LLVKDONJSA-N 1 0 398.305 2.837 20 0 GFADRO CCn1ncc(C[NH2+][C@@H]2CCN(C)[C@H](c3ccc(Br)cc3)C2)n1 ZINC000877648916 662880736 /nfs/dbraw/zinc/88/07/36/662880736.db2.gz WCAOVPZQLGBEKI-WBVHZDCISA-N 1 0 378.318 2.986 20 0 GFADRO CN1CC[NH+](C2CCN(Cc3ncc(Br)cc3Cl)CC2)CC1 ZINC000877746870 662882777 /nfs/dbraw/zinc/88/27/77/662882777.db2.gz LBQCAEILKSVJTO-UHFFFAOYSA-N 1 0 387.753 2.709 20 0 GFADRO COC[C@H]([NH2+]Cc1ccc(S(N)(=O)=O)cc1)c1cccc(Br)c1 ZINC000877758923 662882963 /nfs/dbraw/zinc/88/29/63/662882963.db2.gz OCCMUWQKXVXPSQ-INIZCTEOSA-N 1 0 399.310 2.574 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+][C@@H]2CCCO[C@H]2c2ccc(Cl)cc2)cc1 ZINC000877758528 662882973 /nfs/dbraw/zinc/88/29/73/662882973.db2.gz ADXIFUYWXUFYSV-MSOLQXFVSA-N 1 0 380.897 2.997 20 0 GFADRO Cc1cc(Br)c(CN2C[C@H](CO)[C@H](CO)C2)cc1Br ZINC000877764179 662883183 /nfs/dbraw/zinc/88/31/83/662883183.db2.gz WHHZXPSPWPHTGI-TXEJJXNPSA-N 1 0 393.119 2.553 20 0 GFADRO C[N@@H+]1CC[C@H]2CN(C(=O)Nc3ccc(I)cc3)CC[C@H]21 ZINC000877922130 662886026 /nfs/dbraw/zinc/88/60/26/662886026.db2.gz UAZSLTNBJQXAGB-SMDDNHRTSA-N 1 0 385.249 2.849 20 0 GFADRO Cc1nc(CN2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)sc1Br ZINC000878323945 662893863 /nfs/dbraw/zinc/89/38/63/662893863.db2.gz FLUDVKPESMOYKN-GXTWGEPZSA-N 1 0 387.391 2.672 20 0 GFADRO C[C@H]([NH2+]C[C@H](O)c1cc(Br)no1)c1ccc(N2CCOC2=O)cc1 ZINC000878358453 662894482 /nfs/dbraw/zinc/89/44/82/662894482.db2.gz PGLXYXCIKVNLOT-GWCFXTLKSA-N 1 0 396.241 2.778 20 0 GFADRO COC(=O)C1=NOC2(C1)CC[NH+](CCc1ccccc1Br)CC2 ZINC000878401845 662895460 /nfs/dbraw/zinc/89/54/60/662895460.db2.gz YTDKUCYFIATUJY-UHFFFAOYSA-N 1 0 381.270 2.776 20 0 GFADRO OCC1([C@H]([NH2+]C[C@@H](O)c2cc(Br)no2)c2ccccc2)CCC1 ZINC000878649650 662901743 /nfs/dbraw/zinc/90/17/43/662901743.db2.gz BMIMYBZFKAFZOD-CZUORRHYSA-N 1 0 381.270 2.964 20 0 GFADRO O[C@@H](C[N@@H+]1CC[C@@H](c2ccc3cccnc3n2)C1)c1cc(Br)no1 ZINC000878905530 662909397 /nfs/dbraw/zinc/90/93/97/662909397.db2.gz UQDVMGJULVRRNX-OCCSQVGLSA-N 1 0 389.253 2.903 20 0 GFADRO C[NH+](C)C1(CNC(=O)Nc2cnc(Br)c(Br)c2)CC1 ZINC000878921505 662909728 /nfs/dbraw/zinc/90/97/28/662909728.db2.gz CJTSAANSSRYUKH-UHFFFAOYSA-N 1 0 392.095 2.822 20 0 GFADRO CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)Nc2cc(F)cc(F)c2Br)C1 ZINC000879329443 662923430 /nfs/dbraw/zinc/92/34/30/662923430.db2.gz VDUNRSGHWBKBSO-JTQLQIEISA-N 1 0 392.244 2.694 20 0 GFADRO Cn1ncc(Br)c1CC(=O)Nc1ccc(OCCC[NH+](C)C)cc1 ZINC000879340633 662923515 /nfs/dbraw/zinc/92/35/15/662923515.db2.gz XUHCCMGFOGCYFE-UHFFFAOYSA-N 1 0 395.301 2.694 20 0 GFADRO O=C(Nc1cc(Br)ccn1)N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000879377714 662924795 /nfs/dbraw/zinc/92/47/95/662924795.db2.gz VJHAWMULFMTPTC-CQSZACIVSA-N 1 0 383.290 2.609 20 0 GFADRO CC(C)([NH2+]Cc1cc(=O)n2cc(Br)ccc2n1)[C@@H]1CCCCO1 ZINC000879407176 662925494 /nfs/dbraw/zinc/92/54/94/662925494.db2.gz NHQXLOFQGMHWTL-AWEZNQCLSA-N 1 0 380.286 2.894 20 0 GFADRO C[C@H](NC(=O)CN1CC[C@H]2[C@H](CC[N@@H+]2C)C1)c1ccc(Br)cc1 ZINC000879569020 662929562 /nfs/dbraw/zinc/92/95/62/662929562.db2.gz HOTMQJXVXQKNOS-LXZKKBNFSA-N 1 0 380.330 2.652 20 0 GFADRO Cn1nc(Br)cc1NC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000879641309 662932153 /nfs/dbraw/zinc/93/21/53/662932153.db2.gz UGWJJDCAIAVCNH-AWEZNQCLSA-N 1 0 392.301 2.826 20 0 GFADRO COC[C@H]([NH2+]CC1(CS(C)(=O)=O)CC1)c1cccc(Br)c1 ZINC000879662678 662934985 /nfs/dbraw/zinc/93/49/85/662934985.db2.gz IAOVYJDJEGQLOL-AWEZNQCLSA-N 1 0 376.316 2.551 20 0 GFADRO O=C(Nc1ccnc(Br)c1)N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000879667974 662935471 /nfs/dbraw/zinc/93/54/71/662935471.db2.gz KUWZVBSKCRAZAG-CQSZACIVSA-N 1 0 383.290 2.609 20 0 GFADRO COCCN(CC1CC[NH+](C)CC1)C(=O)Nc1cc(Br)cnc1C ZINC000879786501 662939351 /nfs/dbraw/zinc/93/93/51/662939351.db2.gz JLCLZCFFOBDLPW-UHFFFAOYSA-N 1 0 399.333 2.975 20 0 GFADRO Cc1csc([C@@H]2CC[N@H+](C[C@@](C)(O)c3ccc(S(C)(=O)=O)cc3)C2)n1 ZINC000880010278 662945153 /nfs/dbraw/zinc/94/51/53/662945153.db2.gz WEWXORQYFHLURB-RDTXWAMCSA-N 1 0 380.535 2.552 20 0 GFADRO Cn1cc(NC(=O)NCCC[N@H+](C)Cc2ccccc2)c(Br)n1 ZINC000880040687 662946420 /nfs/dbraw/zinc/94/64/20/662946420.db2.gz ZMPCUKFLUJYSKM-UHFFFAOYSA-N 1 0 380.290 2.826 20 0 GFADRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)Nc1cn(C)nc1Br ZINC000880054802 662948266 /nfs/dbraw/zinc/94/82/66/662948266.db2.gz MDSZBNLFEZJRNW-JSGCOSHPSA-N 1 0 392.301 2.825 20 0 GFADRO Cc1c(F)c(Br)ccc1NC(=O)N[C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC000880076025 662950467 /nfs/dbraw/zinc/95/04/67/662950467.db2.gz KDVIDHRPSGGCFO-NSHDSACASA-N 1 0 388.281 2.863 20 0 GFADRO COc1cc(CN2CCC[C@H]([NH2+]C3CCOCC3)C2)c(Br)cn1 ZINC000880201804 662954327 /nfs/dbraw/zinc/95/43/27/662954327.db2.gz SFOWNCSGLJTMRX-HNNXBMFYSA-N 1 0 384.318 2.586 20 0 GFADRO CN(CC(F)(F)Br)C(=O)Nc1cnn(C2CC[NH+](C)CC2)c1 ZINC000880380450 662958879 /nfs/dbraw/zinc/95/88/79/662958879.db2.gz PLNNNJOQDWCSBG-UHFFFAOYSA-N 1 0 380.237 2.601 20 0 GFADRO Cc1ccc(C(=O)N2CCCN(c3cc[nH+]cc3)CC2)c(Br)n1 ZINC000880382473 662958906 /nfs/dbraw/zinc/95/89/06/662958906.db2.gz RRLSXACHARHUCW-UHFFFAOYSA-N 1 0 375.270 2.900 20 0 GFADRO CC[C@H]([NH2+]Cc1cc(=O)n2cc(Br)ccc2n1)[C@@H]1CCCOC1 ZINC000880470382 662960575 /nfs/dbraw/zinc/96/05/75/662960575.db2.gz ZRUBOEZATFUJQU-DOMZBBRYSA-N 1 0 380.286 2.752 20 0 GFADRO CC[C@@H]([NH2+]Cc1nnnn1-c1ccccc1Br)[C@H]1CCCOC1 ZINC000880465758 662960585 /nfs/dbraw/zinc/96/05/85/662960585.db2.gz IFFPNNDTULSWNU-GXTWGEPZSA-N 1 0 380.290 2.720 20 0 GFADRO O[C@H](COc1cc(Cl)cc(Cl)c1)C[N@@H+]1C[C@H](O)CC2(CCOCC2)C1 ZINC000880580086 662962869 /nfs/dbraw/zinc/96/28/69/662962869.db2.gz ZCYMYHBMKAXJQF-CVEARBPZSA-N 1 0 390.307 2.597 20 0 GFADRO O[C@H](COc1ccc(Cl)cc1Cl)C[N@@H+]1C[C@H](O)CC2(CCOCC2)C1 ZINC000880588383 662963368 /nfs/dbraw/zinc/96/33/68/662963368.db2.gz FAEUWZXJBFOKCG-CABCVRRESA-N 1 0 390.307 2.597 20 0 GFADRO COc1cc(Br)ccc1NC(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000880628228 662964775 /nfs/dbraw/zinc/96/47/75/662964775.db2.gz SUFRPQCPYCATAK-AWEZNQCLSA-N 1 0 398.301 2.521 20 0 GFADRO CC[NH+](CC)[C@H](C)CNC(=O)Nc1cc(Br)cc2c1NC(=O)CO2 ZINC000881269050 662986722 /nfs/dbraw/zinc/98/67/22/662986722.db2.gz KQLZLAOVUFBTEY-SNVBAGLBSA-N 1 0 399.289 2.632 20 0 GFADRO CC[N@H+](CCNC(=O)Nc1cc(Br)cc2c1NC(=O)CO2)C(C)C ZINC000881270009 662986843 /nfs/dbraw/zinc/98/68/43/662986843.db2.gz NOWRQSYRYLCKCK-UHFFFAOYSA-N 1 0 399.289 2.632 20 0 GFADRO O=C(c1ccc(F)cc1Br)N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000881469685 662995236 /nfs/dbraw/zinc/99/52/36/662995236.db2.gz MKHWVWVPYRSGNG-AWEZNQCLSA-N 1 0 385.277 2.961 20 0 GFADRO Cc1sc(Br)nc1C(=O)N1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000881632287 662998553 /nfs/dbraw/zinc/99/85/53/662998553.db2.gz AHCJSURIXSPBRH-JTQLQIEISA-N 1 0 381.299 2.960 20 0 GFADRO O=S(=O)(CC[C@@H]1CC1(Cl)Cl)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000882006176 663013316 /nfs/dbraw/zinc/01/33/16/663013316.db2.gz LGZLIPDAJDZKNH-GUTXKFCHSA-N 1 0 381.369 2.849 20 0 GFADRO C[C@H]1CN(c2ccc([S@@](=N)(=O)C(F)(F)F)cc2)CC[N@@H+]1CC(C)(C)O ZINC000882232848 663021779 /nfs/dbraw/zinc/02/17/79/663021779.db2.gz BEJAZGNLOJOLMG-UOXLDJKESA-N 1 0 379.448 2.893 20 0 GFADRO Cn1nc2c(c1C[NH2+]CCCS(=O)(=O)c1ccc(Cl)cc1)CSCC2 ZINC000883131686 663050151 /nfs/dbraw/zinc/05/01/51/663050151.db2.gz NFHFFNGOLQADJD-UHFFFAOYSA-N 1 0 399.969 2.816 20 0 GFADRO C[C@@]1(C[NH2+]Cc2ccc(Cl)c(S(N)(=O)=O)c2)OCCc2ccccc21 ZINC000883339723 663053675 /nfs/dbraw/zinc/05/36/75/663053675.db2.gz ZOGUYYXFKROVGW-SFHVURJKSA-N 1 0 380.897 2.565 20 0 GFADRO CCC1([NH3+])CCN(C(=O)C(=O)Nc2c(F)ccc(C)c2Br)CC1 ZINC000883626690 663058234 /nfs/dbraw/zinc/05/82/34/663058234.db2.gz CTHFVLSKSRDSCZ-UHFFFAOYSA-N 1 0 386.265 2.565 20 0 GFADRO Cc1noc([C@H]2CCCN(C(=O)[C@@H]([NH3+])c3ccc(Br)cc3)C2)n1 ZINC000884007104 663063682 /nfs/dbraw/zinc/06/36/82/663063682.db2.gz PIKPBHYREKXPLK-JSGCOSHPSA-N 1 0 379.258 2.547 20 0 GFADRO [NH3+][C@H](CC1CC1)C(=O)N1CCC(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000884115509 663065485 /nfs/dbraw/zinc/06/54/85/663065485.db2.gz UKMIVFUTKCKZOO-MRXNPFEDSA-N 1 0 394.313 2.754 20 0 GFADRO C[C@@H](NC(=O)[C@@H]([NH3+])CC1CC1)c1nc(-c2ccc(Br)cc2)no1 ZINC000884173721 663066530 /nfs/dbraw/zinc/06/65/30/663066530.db2.gz CJYKLLWBPRAHBX-RNCFNFMXSA-N 1 0 379.258 2.804 20 0 GFADRO C[NH2+]CCC1CCN(C(=O)COCCc2ccc(Br)cc2)CC1 ZINC000884242944 663067557 /nfs/dbraw/zinc/06/75/57/663067557.db2.gz OYJVPXYYVPJZBI-UHFFFAOYSA-N 1 0 383.330 2.856 20 0 GFADRO Cc1cc(Br)ccc1CS(=O)(=O)N1CCC([NH+](C)C)CC1 ZINC000884929564 663079100 /nfs/dbraw/zinc/07/91/00/663079100.db2.gz DAHNFLOVCGQFNF-UHFFFAOYSA-N 1 0 375.332 2.613 20 0 GFADRO O=S(=O)(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cc(Cl)ccc1OC(F)F ZINC000884960469 663079927 /nfs/dbraw/zinc/07/99/27/663079927.db2.gz WAKWUFSEJIIABX-VXGBXAGGSA-N 1 0 380.844 2.847 20 0 GFADRO Cc1cc(Br)ccc1CS(=O)(=O)N(C)CCCC[NH+](C)C ZINC000885042261 663083700 /nfs/dbraw/zinc/08/37/00/663083700.db2.gz KXEAAEHLRYPABU-UHFFFAOYSA-N 1 0 377.348 2.861 20 0 GFADRO C[C@H](Oc1ccccc1Br)C(=O)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000885868432 663099563 /nfs/dbraw/zinc/09/95/63/663099563.db2.gz HMXJXUBCJNCQSS-DZGCQCFKSA-N 1 0 397.313 2.586 20 0 GFADRO O=C(Cc1cc(F)ccc1Br)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000885876267 663100067 /nfs/dbraw/zinc/10/00/67/663100067.db2.gz OZPFZSZUWULFSG-OAHLLOKOSA-N 1 0 385.277 2.500 20 0 GFADRO O=C(NC[C@@H]1CC[N@@H+]1C1CCOCC1)c1cc(C(F)(F)F)cc(Cl)n1 ZINC000885881868 663100227 /nfs/dbraw/zinc/10/02/27/663100227.db2.gz ATOVRJJVSVVFGH-LBPRGKRZSA-N 1 0 377.794 2.737 20 0 GFADRO Cc1ccc(F)c(C(=O)NC[C@H]2CC[N@@H+]2C2CCOCC2)c1Br ZINC000885882691 663100332 /nfs/dbraw/zinc/10/03/32/663100332.db2.gz JVJQOGFONQFVLN-CYBMUJFWSA-N 1 0 385.277 2.880 20 0 GFADRO C[C@@H](C(=O)NC[C@@H]1CC[N@@H+]1C1CCOCC1)c1cccc(Br)c1 ZINC000885886208 663100507 /nfs/dbraw/zinc/10/05/07/663100507.db2.gz SXQPHIFLFMSZSP-DYVFJYSZSA-N 1 0 381.314 2.922 20 0 GFADRO OC[C@H](C[C@@H]1CCCO1)[NH2+]Cc1cc(Br)c2c(c1)OCCCO2 ZINC000886228936 663105310 /nfs/dbraw/zinc/10/53/10/663105310.db2.gz IFOACVQSDVCXGL-KBPBESRZSA-N 1 0 386.286 2.630 20 0 GFADRO C[C@@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH2+][C@H]1C[C@@H](O)[C@@H](O)C1 ZINC000886253676 663106100 /nfs/dbraw/zinc/10/61/00/663106100.db2.gz FFWFRHRXQAHBET-HUJUBCJISA-N 1 0 380.794 2.550 20 0 GFADRO COC[C@H]([NH2+]Cc1ccc(I)cc1)[C@@H]1CCCOC1 ZINC000886357612 663108852 /nfs/dbraw/zinc/10/88/52/663108852.db2.gz JJJULDDEIRPJHQ-HIFRSBDPSA-N 1 0 375.250 2.822 20 0 GFADRO COC(=O)[C@@H]1CC[C@@H]([NH2+]Cc2ccc(S(C)(=O)=O)c(C(F)(F)F)c2)C1 ZINC000886601278 663114501 /nfs/dbraw/zinc/11/45/01/663114501.db2.gz OEKZUUFZUBNWPZ-VXGBXAGGSA-N 1 0 379.400 2.540 20 0 GFADRO Cc1cc(Br)ccc1CS(=O)(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000886884109 663123307 /nfs/dbraw/zinc/12/33/07/663123307.db2.gz VMKCPLQCSRTSBL-CHWSQXEVSA-N 1 0 375.332 2.647 20 0 GFADRO CC[C@H]1CN(S(=O)(=O)Cc2ccc(Br)cc2C)CC[C@H]1[NH3+] ZINC000886885485 663123456 /nfs/dbraw/zinc/12/34/56/663123456.db2.gz XCKMFAYBEXBVQT-SWLSCSKDSA-N 1 0 375.332 2.647 20 0 GFADRO Cc1cc(Br)ccc1CS(=O)(=O)NCC1(C)CC[NH2+]CC1 ZINC000886885321 663123460 /nfs/dbraw/zinc/12/34/60/663123460.db2.gz OTZJHOMORUQKAS-UHFFFAOYSA-N 1 0 375.332 2.567 20 0 GFADRO O=S(=O)(/C=C\c1ccccc1Br)NC[C@H]1C[NH2+]CCC1(F)F ZINC000886896555 663123967 /nfs/dbraw/zinc/12/39/67/663123967.db2.gz NFFVVWYKWUJGPG-VVEJJEBESA-N 1 0 395.269 2.584 20 0 GFADRO O=S(=O)(c1sccc1Br)N1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886899524 663124203 /nfs/dbraw/zinc/12/42/03/663124203.db2.gz NGNCPKIMPJBHGA-ZDUSSCGKSA-N 1 0 379.345 2.665 20 0 GFADRO COC[C@H]([NH2+]Cc1cc2c(cc1Br)OCCO2)[C@@H]1CCCOC1 ZINC000886903680 663124252 /nfs/dbraw/zinc/12/42/52/663124252.db2.gz FFILBIXWQVPQOB-DOMZBBRYSA-N 1 0 386.286 2.752 20 0 GFADRO COC[C@H]([NH2+]C[C@@H](O)COc1c(Cl)cccc1Cl)[C@H]1CCCOC1 ZINC000886906347 663124515 /nfs/dbraw/zinc/12/45/15/663124515.db2.gz VRPXCWARLNJCET-ZENOOKHLSA-N 1 0 378.296 2.764 20 0 GFADRO COC[C@@H]([NH2+]CCC(=O)Nc1cccc(Br)c1)[C@H]1CCCOC1 ZINC000886913535 663124786 /nfs/dbraw/zinc/12/47/86/663124786.db2.gz DSFINCXEYGAIJZ-XJKSGUPXSA-N 1 0 385.302 2.809 20 0 GFADRO COC[C@@H]([NH2+]Cc1nc2ccc(Br)cc2n1C)[C@@H]1CCCOC1 ZINC000886915427 663124925 /nfs/dbraw/zinc/12/49/25/663124925.db2.gz DLVGVGOBLCMGQW-IUODEOHRSA-N 1 0 382.302 2.867 20 0 GFADRO O=C(Nc1cc(Br)c2ccccc2c1)C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000886983848 663127371 /nfs/dbraw/zinc/12/73/71/663127371.db2.gz JTENPZWZLDEAMN-ZDUSSCGKSA-N 1 0 390.281 2.799 20 0 GFADRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)Nc1cc(Br)c2ccccc2c1 ZINC000886984358 663127383 /nfs/dbraw/zinc/12/73/83/663127383.db2.gz YDFCKHZQAAPODI-ZBEGNZNMSA-N 1 0 390.281 2.655 20 0 GFADRO C[C@H]1Cc2cc(-c3csc([C@H]4CCC[NH2+]C4)n3)ccc2N1S(C)(=O)=O ZINC000887275429 663140525 /nfs/dbraw/zinc/14/05/25/663140525.db2.gz FRDSNMFDQHYLQF-JSGCOSHPSA-N 1 0 377.535 2.988 20 0 GFADRO C[C@H](Cc1nc(-c2cn([C@H]3CCC[NH2+]C3)nn2)cs1)n1cc(Cl)cn1 ZINC000887446601 663146797 /nfs/dbraw/zinc/14/67/97/663146797.db2.gz GMEYVYBCARRYRF-YPMHNXCESA-N 1 0 377.905 2.980 20 0 GFADRO COc1ccc(CCC(=O)N2C[C@@H]3C[N@H+](C)C[C@]3(C)C2)c(Br)c1 ZINC000887923308 663169883 /nfs/dbraw/zinc/16/98/83/663169883.db2.gz VRVRCPKICNJYAK-KBXCAEBGSA-N 1 0 381.314 2.800 20 0 GFADRO C[N@@H+]1C[C@@H]2CN(C(=O)c3cc4ccc(Br)cc4c(=O)o3)C[C@]2(C)C1 ZINC000887921187 663170018 /nfs/dbraw/zinc/17/00/18/663170018.db2.gz WBAYUZWXUVAJPH-XIKOKIGWSA-N 1 0 391.265 2.579 20 0 GFADRO Cc1nn(C)c(NC(=O)N2CCN(c3cc[nH+]cc3)C[C@H]2C)c1Br ZINC000888258378 663184791 /nfs/dbraw/zinc/18/47/91/663184791.db2.gz BAZHHGLJOPAYER-LLVKDONJSA-N 1 0 393.289 2.629 20 0 GFADRO CC[NH+](CC)[C@@H](C(=O)NCc1ncc(Br)cn1)c1ccccc1 ZINC000889717881 663259510 /nfs/dbraw/zinc/25/95/10/663259510.db2.gz WSSVIVSGLXPFGT-MRXNPFEDSA-N 1 0 377.286 2.938 20 0 GFADRO O=C([C@@H]1C[C@H]1c1ccc(Br)cc1)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000889751450 663263284 /nfs/dbraw/zinc/26/32/84/663263284.db2.gz QQZXLZSFJMRNIR-MLHJIOFPSA-N 1 0 393.325 2.610 20 0 GFADRO C[C@H](NC(=O)C(=O)Nc1cccc(F)c1Br)C(C)(C)C[NH+](C)C ZINC000890012521 663280917 /nfs/dbraw/zinc/28/09/17/663280917.db2.gz GTJGIJIRQQIWMK-JTQLQIEISA-N 1 0 388.281 2.619 20 0 GFADRO Cn1cc(C(=O)Nc2cccc3c2OCC[C@@H]3[NH+](C)C)c(Br)n1 ZINC000890301829 663294536 /nfs/dbraw/zinc/29/45/36/663294536.db2.gz SYTWPXTXNUFITG-ZDUSSCGKSA-N 1 0 379.258 2.820 20 0 GFADRO CO[C@@H](CNC(=O)N1CCc2sc(C[NH3+])nc2C1)c1cccc(Cl)c1 ZINC000891618151 663345609 /nfs/dbraw/zinc/34/56/09/663345609.db2.gz XVARIVCULJRINL-AWEZNQCLSA-N 1 0 380.901 2.711 20 0 GFADRO [NH3+]Cc1nc2c(s1)CCN(C(=O)NCc1csc(-c3ccco3)n1)C2 ZINC000891686553 663347548 /nfs/dbraw/zinc/34/75/48/663347548.db2.gz IWGMXKISUQXBLK-UHFFFAOYSA-N 1 0 375.479 2.586 20 0 GFADRO CC(C)(C)c1nc(CCNC(=O)N2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cs1 ZINC000891731372 663348920 /nfs/dbraw/zinc/34/89/20/663348920.db2.gz QPSABONGRYTPKF-JQWIXIFHSA-N 1 0 378.464 2.762 20 0 GFADRO COc1cc(Br)ccc1[C@H](C)NC(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000891842852 663352708 /nfs/dbraw/zinc/35/27/08/663352708.db2.gz XFJIAHIDXMWJTC-NVGCLXPQSA-N 1 0 382.302 2.770 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)NCCOc2ccc(F)c(Cl)c2)C[C@@H]1C(F)(F)F ZINC000891928812 663355882 /nfs/dbraw/zinc/35/58/82/663355882.db2.gz CRMSNRVHFJUCPJ-KOLCDFICSA-N 1 0 383.773 2.637 20 0 GFADRO COC[C@H](NC(=O)NC[C@]1(C)CCC[NH2+]C1)c1cccc(Br)c1 ZINC000892057201 663360790 /nfs/dbraw/zinc/36/07/90/663360790.db2.gz MBEKBCHWNGMMBV-DOTOQJQBSA-N 1 0 384.318 2.826 20 0 GFADRO COC[C@H](NC(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1cccc(Br)c1 ZINC000892187081 663365056 /nfs/dbraw/zinc/36/50/56/663365056.db2.gz IHTXTJFDZJIANM-WTTBNOFXSA-N 1 0 396.329 2.824 20 0 GFADRO O=C(NCc1ccsc1C(F)(F)F)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000892319402 663368948 /nfs/dbraw/zinc/36/89/48/663368948.db2.gz HLVJEZKIZGVZTJ-LBPRGKRZSA-N 1 0 377.432 2.725 20 0 GFADRO O=C(N[C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000892321199 663368970 /nfs/dbraw/zinc/36/89/70/663368970.db2.gz ANCLJNHHGWXALI-FMPTWSOUSA-N 1 0 376.298 2.623 20 0 GFADRO [NH3+]CC12CCC(CC1)N2C(=O)N[C@@H]1[C@H]2Cc3ccc(Br)cc3[C@@H]12 ZINC000892454520 663374318 /nfs/dbraw/zinc/37/43/18/663374318.db2.gz VCMBKUCUJLTXJK-WULDTXAISA-N 1 0 376.298 2.753 20 0 GFADRO O=C1CCCN1c1ccc(C[NH2+]Cc2ncc(Br)cc2O)cc1 ZINC000892465759 663374747 /nfs/dbraw/zinc/37/47/47/663374747.db2.gz GVUMOPCBHBMZDD-UHFFFAOYSA-N 1 0 376.254 2.966 20 0 GFADRO C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)NC[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000892559603 663377210 /nfs/dbraw/zinc/37/72/10/663377210.db2.gz MAVZKOFEEWJFDT-GRDNDAEWSA-N 1 0 395.345 2.575 20 0 GFADRO O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)N[C@@H]1[C@@H]2Cc3ccc(Br)cc3[C@@H]21 ZINC000892584646 663377973 /nfs/dbraw/zinc/37/79/73/663377973.db2.gz ODYUOWUTBHXMHG-UQURQGMXSA-N 1 0 390.325 2.917 20 0 GFADRO C[C@]1(Br)C[C@@H]1C[NH2+]CCc1ccc(OCC(=O)NC2CC2)cc1 ZINC000892633928 663379395 /nfs/dbraw/zinc/37/93/95/663379395.db2.gz KSQGUZVLVJLEGY-KDOFPFPSSA-N 1 0 381.314 2.650 20 0 GFADRO CC[NH+]1CCC(CNC(=O)N[C@@](C)(CO)c2cccc(Br)c2)CC1 ZINC000892640883 663379555 /nfs/dbraw/zinc/37/95/55/663379555.db2.gz LZQKUSJRQGPNCU-SFHVURJKSA-N 1 0 398.345 2.688 20 0 GFADRO COc1ccc(CNC(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3C)cc1Br ZINC000892650420 663379761 /nfs/dbraw/zinc/37/97/61/663379761.db2.gz IEJPSITUACFADX-CABCVRRESA-N 1 0 382.302 2.836 20 0 GFADRO COC(=O)N1CCC[C@@H]([NH2+]Cc2ccc(Br)cc2NC(C)=O)C1 ZINC000892807612 663385354 /nfs/dbraw/zinc/38/53/54/663385354.db2.gz XORGSOSPENXSRS-CQSZACIVSA-N 1 0 384.274 2.728 20 0 GFADRO O=C(O[C@@H]1CC[N@@H+]2CCC[C@H]2C1)[C@@H]1Cc2ccc(Br)cc2C(=O)O1 ZINC000892962388 663391559 /nfs/dbraw/zinc/39/15/59/663391559.db2.gz MFJZKGPIGUMQGS-LZWOXQAQSA-N 1 0 394.265 2.701 20 0 GFADRO C[C@H]1CCC[C@@H](CC[NH+](C)C)N1C(=O)c1cc2ncc(Br)cn2n1 ZINC000893008375 663392913 /nfs/dbraw/zinc/39/29/13/663392913.db2.gz PNIHRYSWVJUMEJ-JSGCOSHPSA-N 1 0 394.317 2.827 20 0 GFADRO C[C@@H]([NH2+]CCOc1ncc(C(F)(F)F)cc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000893020362 663393389 /nfs/dbraw/zinc/39/33/89/663393389.db2.gz IEECRJLCPUDQPV-NXEZZACHSA-N 1 0 386.823 2.545 20 0 GFADRO CC(=O)Nc1cc(Br)ccc1C[NH2+]C[C@]1(N(C)C)CCSC1 ZINC000893099427 663396704 /nfs/dbraw/zinc/39/67/04/663396704.db2.gz YNSINOMLLVYKTC-MRXNPFEDSA-N 1 0 386.359 2.934 20 0 GFADRO C[C@@]1(Br)C[C@@H]1C[NH2+]Cc1ccc(N2CCCS2(=O)=O)c(F)c1 ZINC000893679805 663419790 /nfs/dbraw/zinc/41/97/90/663419790.db2.gz BHVMUPWUANUGFQ-IUODEOHRSA-N 1 0 391.306 2.629 20 0 GFADRO Brc1cnc(N2CCC[C@H](C[NH+]3CCOCC3)C2)c2ncccc12 ZINC000893710813 663421779 /nfs/dbraw/zinc/42/17/79/663421779.db2.gz JZLKKDHWUBYMHW-CQSZACIVSA-N 1 0 391.313 2.941 20 0 GFADRO CC(C)[NH2+][C@H]1CCCN(C(=O)C[C@@H]2C(=O)Nc3ccc(Br)cc32)C1 ZINC000893797574 663425100 /nfs/dbraw/zinc/42/51/00/663425100.db2.gz DXRIBIJXFVAANC-ZFWWWQNUSA-N 1 0 394.313 2.864 20 0 GFADRO CC(C)[NH2+][C@H]1CCCN(C(=O)c2cc(Br)c3nccnc3c2)C1 ZINC000893798025 663425376 /nfs/dbraw/zinc/42/53/76/663425376.db2.gz HLIGNUAHXYBBQP-ZDUSSCGKSA-N 1 0 377.286 2.995 20 0 GFADRO Cn1nc(Br)nc1CN1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000893871040 663429240 /nfs/dbraw/zinc/42/92/40/663429240.db2.gz JVWFQBZBTUFLTP-UHFFFAOYSA-N 1 0 392.345 2.718 20 0 GFADRO C[NH+](C)CC1CN(c2ncnc3c2cnn3-c2cccc(Br)c2)C1 ZINC000894021497 663437909 /nfs/dbraw/zinc/43/79/09/663437909.db2.gz FOZIVJMBMWEVEP-UHFFFAOYSA-N 1 0 387.285 2.576 20 0 GFADRO Cn1ncc(C[NH2+][C@@H]2CCN(c3cccc(Br)c3)C2=O)c1C1CC1 ZINC000894076056 663441346 /nfs/dbraw/zinc/44/13/46/663441346.db2.gz LUJOWJMRATXOCW-MRXNPFEDSA-N 1 0 389.297 2.955 20 0 GFADRO Cn1cc(C[NH2+]CCCc2nc3ccccc3[nH]2)c(I)n1 ZINC000894206462 663448849 /nfs/dbraw/zinc/44/88/49/663448849.db2.gz IVFFKKJNTHUBAI-UHFFFAOYSA-N 1 0 395.248 2.623 20 0 GFADRO COC(=O)[C@@H]1CN(c2cc[nH+]cc2CO)C[C@H]1c1ccc(Br)cc1 ZINC000894271869 663451950 /nfs/dbraw/zinc/45/19/50/663451950.db2.gz OKOYKQJQNOBWIA-JKSUJKDBSA-N 1 0 391.265 2.729 20 0 GFADRO CCc1nnc(NC(=O)[C@H](C)[C@H](C)[NH2+]C[C@@H]2C[C@@]2(C)Br)s1 ZINC000894440538 663461872 /nfs/dbraw/zinc/46/18/72/663461872.db2.gz ZLZMXOSXNVMKRU-MAGOMRGPSA-N 1 0 375.336 2.827 20 0 GFADRO COc1ccc(CN2CC[C@H]([NH2+]C[C@H]3C[C@]3(C)Br)C2=O)c(OC)c1 ZINC000894445434 663462237 /nfs/dbraw/zinc/46/22/37/663462237.db2.gz LQQLOPVENIULMF-XUWXXGDYSA-N 1 0 397.313 2.568 20 0 GFADRO O[C@H](CCc1ccccc1)C[NH2+]Cc1sc(N2CCOCC2)nc1Cl ZINC000894450312 663462431 /nfs/dbraw/zinc/46/24/31/663462431.db2.gz YFDHEQKRNNCTGL-OAHLLOKOSA-N 1 0 381.929 2.716 20 0 GFADRO C[C@@H](NCc1c(I)cnn1C)[C@H](c1ccccc1)[NH+](C)C ZINC000894480436 663464169 /nfs/dbraw/zinc/46/41/69/663464169.db2.gz OBIJOSHJIYNBQF-MLGOLLRUSA-N 1 0 398.292 2.806 20 0 GFADRO COC(=O)c1ccc(C[NH2+]CC2(S(C)(=O)=O)CCC2)c(C(F)(F)F)c1 ZINC000894611758 663472231 /nfs/dbraw/zinc/47/22/31/663472231.db2.gz SEEAZVPCUOESTK-UHFFFAOYSA-N 1 0 379.400 2.549 20 0 GFADRO Cn1ncc(I)c1C[NH2+]CCc1cccc2[nH]ccc21 ZINC000894669857 663475452 /nfs/dbraw/zinc/47/54/52/663475452.db2.gz BUCXAKYRSIGKKI-UHFFFAOYSA-N 1 0 380.233 2.838 20 0 GFADRO Brc1ccc(OCc2ccccn2)c(C[NH2+]C[C@H]2COCO2)c1 ZINC000894871193 663485901 /nfs/dbraw/zinc/48/59/01/663485901.db2.gz RKSCXVAHDCRMRR-INIZCTEOSA-N 1 0 379.254 2.886 20 0 GFADRO Cn1ncc(I)c1CN[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000895275073 663506455 /nfs/dbraw/zinc/50/64/55/663506455.db2.gz QUWSTWUBJAYFEF-LBPRGKRZSA-N 1 0 388.297 2.521 20 0 GFADRO Cn1nc(Br)nc1C[NH2+][C@@H]1[C@H]2Cc3c(cccc3Br)[C@@H]12 ZINC000895417238 663513297 /nfs/dbraw/zinc/51/32/97/663513297.db2.gz UWMLVVPSDNNJEF-ZWKOPEQDSA-N 1 0 398.102 2.768 20 0 GFADRO O=C1NCC2(CCOCC2)[C@@H]1[NH2+]Cc1cc2cc(Br)ccc2o1 ZINC000895765578 663526674 /nfs/dbraw/zinc/52/66/74/663526674.db2.gz MPRVXTFUBAEWMF-OAHLLOKOSA-N 1 0 379.254 2.580 20 0 GFADRO CC(C)(C)OC(=O)N[C@H](CC(F)F)C[N@@H+]1CC[C@](CO)(C(F)(F)F)C1 ZINC000895837165 663529653 /nfs/dbraw/zinc/52/96/53/663529653.db2.gz RRMQRQSUMDYDLM-YGRLFVJLSA-N 1 0 376.366 2.782 20 0 GFADRO COC[C@H]([NH2+]Cc1ccc(C(=O)OC)c(Br)c1)[C@H]1CCCOC1 ZINC000895858488 663530549 /nfs/dbraw/zinc/53/05/49/663530549.db2.gz JPJBJVJJHBCKAB-BBRMVZONSA-N 1 0 386.286 2.767 20 0 GFADRO O=C(N[C@@H]1CCc2cc(Br)ccc21)C1C[NH+](C2CCOCC2)C1 ZINC000895859687 663530661 /nfs/dbraw/zinc/53/06/61/663530661.db2.gz VVHBMSUDDJGQSR-QGZVFWFLSA-N 1 0 379.298 2.663 20 0 GFADRO CCO[P@@](C)(=O)CC[C@H](C)[NH2+]CC1(S(=O)(=O)NC(C)(C)C)CCC1 ZINC000896281774 663548745 /nfs/dbraw/zinc/54/87/45/663548745.db2.gz IBJPYPKGPJEWID-LFVRLGFBSA-N 1 0 382.507 2.940 20 0 GFADRO C[C@@]1([C@H]2CCC[N@H+](Cc3cn4ccc(Br)cc4n3)C2)COC(=O)N1 ZINC000896393612 663554886 /nfs/dbraw/zinc/55/48/86/663554886.db2.gz JJTOEZDEODDMQY-SJCJKPOMSA-N 1 0 393.285 2.807 20 0 GFADRO CC[C@H](Cc1cccc(Br)c1)C(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCN1C ZINC000896566314 663565010 /nfs/dbraw/zinc/56/50/10/663565010.db2.gz YJWIICUGQFBKQW-YXJHDRRASA-N 1 0 396.373 2.768 20 0 GFADRO C[C@@H](NC(=O)CCCOc1ccc(Cl)cc1Cl)[C@H]1C[N@H+](C)CCN1C ZINC000896579666 663565961 /nfs/dbraw/zinc/56/59/61/663565961.db2.gz IDEQEORBCVMUQQ-CZUORRHYSA-N 1 0 388.339 2.903 20 0 GFADRO C[C@H](NC(=O)c1ccc(C2SCCCS2)cc1)[C@@H]1C[N@H+](C)CCN1C ZINC000896582822 663566550 /nfs/dbraw/zinc/56/65/50/663566550.db2.gz VMWVXCPGISNPHB-YOEHRIQHSA-N 1 0 379.595 2.919 20 0 GFADRO COc1cc2[nH+]ccc(N[C@@H]3CCc4nnn(C)c4C3)c2cc1Br ZINC000896674808 663571225 /nfs/dbraw/zinc/57/12/25/663571225.db2.gz RTVIQYOIACZAJW-SNVBAGLBSA-N 1 0 388.269 2.526 20 0 GFADRO Cn1cc(C[NH2+]CC(C)(C)C2CCOCC2)c(I)n1 ZINC000897441431 663606243 /nfs/dbraw/zinc/60/62/43/663606243.db2.gz FFZFEFHECTXZRJ-UHFFFAOYSA-N 1 0 377.270 2.567 20 0 GFADRO C[C@@H](C[NH2+]C1CCC2(CC1)NC(=O)NC2=O)c1ccc(Br)cc1 ZINC000897470373 663607028 /nfs/dbraw/zinc/60/70/28/663607028.db2.gz CZYKUFRAPAHBMK-HUZSNBGSSA-N 1 0 380.286 2.663 20 0 GFADRO C[N@@H+]1CCCC[C@H](CNC(=O)N[C@](C)(CO)c2cccc(Br)c2)C1 ZINC000897567198 663611558 /nfs/dbraw/zinc/61/15/58/663611558.db2.gz GTMIJMRBUIFDPP-RDTXWAMCSA-N 1 0 398.345 2.688 20 0 GFADRO O=C(N[C@@H]1C[C@H]1c1cccc(Br)c1)C1C[NH+](C2CCOCC2)C1 ZINC000897601133 663613279 /nfs/dbraw/zinc/61/32/79/663613279.db2.gz DBFBCFGQJQMAFO-DLBZAZTESA-N 1 0 379.298 2.532 20 0 GFADRO CC(C)(C)OC(=O)N1CC[C@](O)(C[NH2+]Cc2occc2Br)C1 ZINC000897692655 663615859 /nfs/dbraw/zinc/61/58/59/663615859.db2.gz ZLUHGLCFERGIHT-HNNXBMFYSA-N 1 0 375.263 2.504 20 0 GFADRO CO[C@@H]1CCOC[C@H]1[NH2+]Cc1cc(Br)cc(Br)c1N ZINC000897890041 663624349 /nfs/dbraw/zinc/62/43/49/663624349.db2.gz FQNTYNPAXCUHRK-VXGBXAGGSA-N 1 0 394.107 2.687 20 0 GFADRO Cn1cc(C(=O)Nc2ccc(OCC[NH+](C)C)c(F)c2)c(Br)n1 ZINC000897962150 663627313 /nfs/dbraw/zinc/62/73/13/663627313.db2.gz GNJCCFMURSUSHC-UHFFFAOYSA-N 1 0 385.237 2.514 20 0 GFADRO O=C1Nc2ncc(Br)cc2C[C@H]1[NH2+]Cc1cccc2c1NCCC2 ZINC000897977133 663627685 /nfs/dbraw/zinc/62/76/85/663627685.db2.gz BUCZDACKTWSIPY-OAHLLOKOSA-N 1 0 387.281 2.855 20 0 GFADRO Ic1cnc(CN2CCC([NH2+]C3CCC3)CC2)s1 ZINC000897980892 663628942 /nfs/dbraw/zinc/62/89/42/663628942.db2.gz FYQOQPOBFTVQBS-UHFFFAOYSA-N 1 0 377.295 2.854 20 0 GFADRO O=C(c1cc(F)ccc1Br)N1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000898122628 663634866 /nfs/dbraw/zinc/63/48/66/663634866.db2.gz MCZIUKXYOGNRMB-UHFFFAOYSA-N 1 0 385.277 2.555 20 0 GFADRO COc1ccc([C@H](C)[NH2+][C@@H]2CCN(c3cc(=O)[nH]cn3)C2)c(Br)c1 ZINC000898152433 663636030 /nfs/dbraw/zinc/63/60/30/663636030.db2.gz IEFQSNMKFAIJKI-NWDGAFQWSA-N 1 0 393.285 2.883 20 0 GFADRO CCOC(=O)c1ccc(C[NH2+][C@@](C)(CO)c2cccc(Br)c2)[nH]1 ZINC000898168936 663637001 /nfs/dbraw/zinc/63/70/01/663637001.db2.gz UTCPVBDTDNMQBC-KRWDZBQOSA-N 1 0 381.270 2.951 20 0 GFADRO O=c1[nH]ncc(N2CC[C@@H]([NH2+]Cc3cnc(-c4ccco4)s3)C2)c1Cl ZINC000898368557 663645123 /nfs/dbraw/zinc/64/51/23/663645123.db2.gz NMEBVUMCAMWMEY-SNVBAGLBSA-N 1 0 377.857 2.921 20 0 GFADRO COC(=O)C1CC2(C1)C[C@@H]([NH2+]Cc1ccc(Cl)cc1C)CCS2(=O)=O ZINC000898486096 663652105 /nfs/dbraw/zinc/65/21/05/663652105.db2.gz AXTJNMUTCROAAT-HQVVEAJESA-N 1 0 385.913 2.637 20 0 GFADRO C[NH+](C)CCN(Cc1cccs1)C(=O)C(=O)NCc1cscc1Cl ZINC000898585740 663657117 /nfs/dbraw/zinc/65/71/17/663657117.db2.gz ATFRDTIZPCZHHZ-UHFFFAOYSA-N 1 0 385.942 2.670 20 0 GFADRO CC(C)n1ncc(C(=O)NC2CC[NH+](C3CCOCC3)CC2)c1Br ZINC000898640453 663658650 /nfs/dbraw/zinc/65/86/50/663658650.db2.gz KABKEFCOSYRQCR-UHFFFAOYSA-N 1 0 399.333 2.600 20 0 GFADRO O=C(NC1CC[NH+](C2CCOCC2)CC1)c1ccc(F)c(Br)c1 ZINC000898633143 663658703 /nfs/dbraw/zinc/65/87/03/663658703.db2.gz YKDRICUBQLSNBP-UHFFFAOYSA-N 1 0 385.277 2.961 20 0 GFADRO CC[NH+](CC)CCOc1cccc(NCc2nc(Br)nn2C)c1 ZINC000898704578 663659892 /nfs/dbraw/zinc/65/98/92/663659892.db2.gz WVDWYROPYBYTKK-UHFFFAOYSA-N 1 0 382.306 2.910 20 0 GFADRO Brc1cnc2n1C[C@H]([NH2+][C@@H](c1nnc[nH]1)C1CCCCC1)CC2 ZINC000898720244 663660551 /nfs/dbraw/zinc/66/05/51/663660551.db2.gz KSWIFLBASWSZNJ-IUODEOHRSA-N 1 0 379.306 2.990 20 0 GFADRO CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1[NH2+][C@H]1CCc2ncc(Br)n2C1 ZINC000898723939 663661064 /nfs/dbraw/zinc/66/10/64/663661064.db2.gz KLJSHMPQSCMDKA-YNEHKIRRSA-N 1 0 399.333 2.996 20 0 GFADRO Brc1cnc2n1C[C@H]([NH2+]Cc1cccc3c1OCCCO3)CC2 ZINC000898724183 663661322 /nfs/dbraw/zinc/66/13/22/663661322.db2.gz LHFPPDFFWIDNKI-CYBMUJFWSA-N 1 0 378.270 2.912 20 0 GFADRO O=C(NCc1cc2cc(Br)ccc2o1)C1C[NH+]([C@H]2CCOC2)C1 ZINC000899211018 663679988 /nfs/dbraw/zinc/67/99/88/663679988.db2.gz KZFFSMDMWDCLOB-AWEZNQCLSA-N 1 0 379.254 2.532 20 0 GFADRO COc1cc(Br)cc(C(=O)N2CCC[C@@H]([NH2+]C3CCOCC3)C2)c1 ZINC000899927497 663702829 /nfs/dbraw/zinc/70/28/29/663702829.db2.gz RCFVCYCGZGFAJU-MRXNPFEDSA-N 1 0 397.313 2.831 20 0 GFADRO C[NH+]1CCN(CCCNC(=O)c2cc(Br)ccc2C2CC2)CC1 ZINC000899991175 663706181 /nfs/dbraw/zinc/70/61/81/663706181.db2.gz BTZPTLHHLGODJC-UHFFFAOYSA-N 1 0 380.330 2.694 20 0 GFADRO C[NH2+][C@H](C)Cc1noc(-c2cnn(Cc3ccccc3)c2Br)n1 ZINC000900008360 663706351 /nfs/dbraw/zinc/70/63/51/663706351.db2.gz GCUUNCGGYGCIPS-LLVKDONJSA-N 1 0 376.258 2.894 20 0 GFADRO C[NH+](C)CCn1nccc1C(=O)NCCc1nc2cc(Cl)ccc2s1 ZINC000900044295 663707022 /nfs/dbraw/zinc/70/70/22/663707022.db2.gz FYGPYPURAAUZHM-UHFFFAOYSA-N 1 0 377.901 2.680 20 0 GFADRO CCn1c(Br)ncc1C(=O)Nc1ccccc1N1CC[NH+](C)CC1 ZINC000900071388 663707572 /nfs/dbraw/zinc/70/75/72/663707572.db2.gz LZILHWLPNUPRRO-UHFFFAOYSA-N 1 0 392.301 2.670 20 0 GFADRO C[C@@H]([NH2+][C@H]1CCc2ncc(Br)n2C1)C(=O)N(C)Cc1ccccc1 ZINC000901729717 663743962 /nfs/dbraw/zinc/74/39/62/663743962.db2.gz SMRIXWRWJVPBCB-HIFRSBDPSA-N 1 0 391.313 2.597 20 0 GFADRO Cc1c([C@@H](C)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)nnn1-c1cccc(Br)c1 ZINC000902472994 663761696 /nfs/dbraw/zinc/76/16/96/663761696.db2.gz NRIGYBPGIJPLKH-YONQAEKCSA-N 1 0 376.302 2.882 20 0 GFADRO CC(C)C[C@@H]([NH2+]CC1CCN(S(=O)(=O)C(F)F)CC1)C1CCOCC1 ZINC000902866187 663768720 /nfs/dbraw/zinc/76/87/20/663768720.db2.gz UDIYUYHJZOYENY-MRXNPFEDSA-N 1 0 382.517 2.682 20 0 GFADRO COC(=O)[C@@H]1CC[C@H]([NH2+][C@H](C)c2cc(S(N)(=O)=O)c(Cl)cc2Cl)C1 ZINC000903128667 663775111 /nfs/dbraw/zinc/77/51/11/663775111.db2.gz GONWJSWLEUIXSN-BBBLOLIVSA-N 1 0 395.308 2.633 20 0 GFADRO CN(C)S(=O)(=O)Cc1ccc(C[NH2+][C@@H]2CCc3ccc(Cl)nc32)cc1 ZINC000903173027 663776997 /nfs/dbraw/zinc/77/69/97/663776997.db2.gz JISYILVLFABURK-MRXNPFEDSA-N 1 0 379.913 2.904 20 0 GFADRO O=S(=O)(CC[NH2+][C@H](c1ccccc1F)C1CCOCC1)CC(F)(F)F ZINC000903201523 663778264 /nfs/dbraw/zinc/77/82/64/663778264.db2.gz YQAJLPAWAKADKK-HNNXBMFYSA-N 1 0 383.407 2.860 20 0 GFADRO Cc1cc(S(=O)(=O)N2CCC([NH+]3CCC3)CC2)c(F)cc1Br ZINC000903204836 663778398 /nfs/dbraw/zinc/77/83/98/663778398.db2.gz ZSPANJFHBAVWOW-UHFFFAOYSA-N 1 0 391.306 2.755 20 0 GFADRO C[C@@H](CCNS(=O)(=O)c1ccccc1)[NH2+][C@@H](C)C1(Br)CC1 ZINC000903231567 663779808 /nfs/dbraw/zinc/77/98/08/663779808.db2.gz OFEYNWHXAUZISY-STQMWFEESA-N 1 0 375.332 2.649 20 0 GFADRO C[C@H]([NH2+][C@H]1CCCN2CCSC[C@H]12)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000903270279 663780907 /nfs/dbraw/zinc/78/09/07/663780907.db2.gz CKTSTJCOFXLYFJ-VBNZEHGJSA-N 1 0 390.521 2.913 20 0 GFADRO CC[C@@H]([NH2+]C[C@]1(OC)CCS(=O)(=O)C1)c1cccc(Br)c1 ZINC000903369253 663783160 /nfs/dbraw/zinc/78/31/60/663783160.db2.gz VVNURASDVSZNMP-HUUCEWRRSA-N 1 0 376.316 2.694 20 0 GFADRO O=c1cc(N2CC[C@@H]([NH2+][C@H]3CCc4cc(Br)ccc43)C2)nc[nH]1 ZINC000903395003 663783509 /nfs/dbraw/zinc/78/35/09/663783509.db2.gz GKJIRKFLEMRXIU-HIFRSBDPSA-N 1 0 375.270 2.801 20 0 GFADRO O=c1ccn(CCC[NH2+][C@H](c2ccc(Br)cc2)C2CC2)c(=O)[nH]1 ZINC000903432362 663784572 /nfs/dbraw/zinc/78/45/72/663784572.db2.gz MHZKPFOIOLHVRE-INIZCTEOSA-N 1 0 378.270 2.842 20 0 GFADRO COC(=O)C1CC2(C1)C[C@@H]([NH2+][C@H](C)c1csc(Cl)c1)CCS2(=O)=O ZINC000903451345 663785008 /nfs/dbraw/zinc/78/50/08/663785008.db2.gz FYPXBLJBBLADTA-BPXZZKQBSA-N 1 0 391.942 2.951 20 0 GFADRO CC[C@H](CCC(F)(F)F)[NH2+][C@@H]1CCS(=O)(=O)C2(CC(C(=O)OC)C2)C1 ZINC000903450865 663785037 /nfs/dbraw/zinc/78/50/37/663785037.db2.gz AEHWSEJVOFYDOD-DNCHLWJUSA-N 1 0 385.448 2.596 20 0 GFADRO Cc1noc(C2CCC([NH2+][C@@H]3CCc4ncc(Br)n4C3)CC2)n1 ZINC000903477531 663785265 /nfs/dbraw/zinc/78/52/65/663785265.db2.gz ANLMGVCXSUDKHD-WXRRBKDZSA-N 1 0 380.290 2.968 20 0 GFADRO C[C@@H]([NH2+][C@H]1CCc2ncc(Br)n2C1)c1cccc(-n2ccnn2)c1 ZINC000903478580 663785379 /nfs/dbraw/zinc/78/53/79/663785379.db2.gz HBZZNPJNJJCDIA-OCCSQVGLSA-N 1 0 387.285 2.892 20 0 GFADRO CC(C)(C)c1ccc(S(=O)(=O)CCN2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)cc1 ZINC000903514214 663786400 /nfs/dbraw/zinc/78/64/00/663786400.db2.gz MYSKOPAXXVHMMW-HUUCEWRRSA-N 1 0 378.460 2.579 20 0 GFADRO C[C@@H]1C[C@@H]([NH3+])CCN1S(=O)(=O)Cc1cccc(Cl)c1Br ZINC000903522095 663787120 /nfs/dbraw/zinc/78/71/20/663787120.db2.gz KRTPFPUNSFYRCJ-KOLCDFICSA-N 1 0 381.723 2.744 20 0 GFADRO C[C@@]1(CS(=O)(=O)N2CCC(C[NH3+])(c3ccccc3)CC2)CC1(Cl)Cl ZINC000903530440 663787453 /nfs/dbraw/zinc/78/74/53/663787453.db2.gz DKTZIAPGOAHHFM-HNNXBMFYSA-N 1 0 391.364 2.893 20 0 GFADRO [NH3+][C@@H]1CN(CC(=O)Nc2ccccc2Br)CC[C@H]1C(F)(F)F ZINC000903533906 663787622 /nfs/dbraw/zinc/78/76/22/663787622.db2.gz LWCUCKKMNPUSNZ-MWLCHTKSSA-N 1 0 380.208 2.599 20 0 GFADRO NC(=O)[C@@H](c1cccc(Br)c1)N1C[C@@H](C[NH3+])Cc2cc(F)ccc21 ZINC000903567976 663788913 /nfs/dbraw/zinc/78/89/13/663788913.db2.gz HJVDWTKCJDOFIC-PIGZYNQJSA-N 1 0 392.272 2.752 20 0 GFADRO NC(=O)[C@H](c1cccc(Br)c1)N1C[C@H](C[NH3+])Cc2cc(F)ccc21 ZINC000903567975 663788920 /nfs/dbraw/zinc/78/89/20/663788920.db2.gz HJVDWTKCJDOFIC-GTNSWQLSSA-N 1 0 392.272 2.752 20 0 GFADRO [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(S(=O)(=O)c1oc3ccccc3c1Br)C2 ZINC000903575511 663789558 /nfs/dbraw/zinc/78/95/58/663789558.db2.gz BCQDAZFMHZIFDJ-AXFHLTTASA-N 1 0 385.283 2.696 20 0 GFADRO [NH3+][C@@H]1CN(S(=O)(=O)c2cc(Cl)sc2Cl)CC[C@@H]1C(F)(F)F ZINC000903578342 663789948 /nfs/dbraw/zinc/78/99/48/663789948.db2.gz GJOTUJLZHIAIOC-NTSWFWBYSA-N 1 0 383.244 2.955 20 0 GFADRO [NH3+][C@H]1CN(S(=O)(=O)c2ccc3ccnc(Cl)c3c2)CC[C@@H]1C(F)(F)F ZINC000903581626 663790413 /nfs/dbraw/zinc/79/04/13/663790413.db2.gz ORPKBIPZMWXXCS-STQMWFEESA-N 1 0 393.818 2.788 20 0 GFADRO C[C@@]1(CS(=O)(=O)N2CCCc3cc(CC[NH3+])ccc32)CC1(Cl)Cl ZINC000903598603 663791491 /nfs/dbraw/zinc/79/14/91/663791491.db2.gz DVCHGZIIAOMXOA-HNNXBMFYSA-N 1 0 377.337 2.854 20 0 GFADRO Fc1ccc([C@@H]2CN(C[C@@H]3C[C@]4(CC[NH2+]C4)CO3)CCO2)cc1Br ZINC000903757392 663805898 /nfs/dbraw/zinc/80/58/98/663805898.db2.gz ZIACBDNHWPALPS-WBAXXEDZSA-N 1 0 399.304 2.730 20 0 GFADRO Brc1cnc([C@H]2CCCN2C[C@@H]2CC3(CO2)CC[NH2+]CC3)nc1 ZINC000903786507 663806771 /nfs/dbraw/zinc/80/67/71/663806771.db2.gz KPTZOEHVFCTRQR-LSDHHAIUSA-N 1 0 381.318 2.535 20 0 GFADRO CN(Cc1cc2c(cc1Br)OCCCO2)C1(C[NH3+])CCOCC1 ZINC000903809627 663807320 /nfs/dbraw/zinc/80/73/20/663807320.db2.gz HZXWVANZQLZSLG-UHFFFAOYSA-N 1 0 385.302 2.550 20 0 GFADRO COc1ccc(Br)c(CN(C)C[C@@H](C[NH3+])Cc2cnn(C)c2C)c1 ZINC000903913608 663811092 /nfs/dbraw/zinc/81/10/92/663811092.db2.gz PVIFBEXOLIMLMW-CQSZACIVSA-N 1 0 395.345 2.749 20 0 GFADRO Cc1cc(Br)c2c(c1)CN(Cc1cnnn1[C@@H]1CCC[NH2+]C1)CC2 ZINC000903914614 663811219 /nfs/dbraw/zinc/81/12/19/663811219.db2.gz JSDBTCRAKXIVQQ-OAHLLOKOSA-N 1 0 390.329 2.832 20 0 GFADRO Clc1ccc(Br)c(CNCc2cnnn2[C@H]2CCC[NH2+]C2)c1 ZINC000903931762 663812582 /nfs/dbraw/zinc/81/25/82/663812582.db2.gz HROJBJVFIBUDMZ-ZDUSSCGKSA-N 1 0 384.709 2.908 20 0 GFADRO Cc1c(C[C@H](C[NH3+])CN2CCc3cc(F)cc(Br)c3C2)cnn1C ZINC000903935126 663812779 /nfs/dbraw/zinc/81/27/79/663812779.db2.gz NSRUAOXXOCHSDS-CYBMUJFWSA-N 1 0 395.320 2.806 20 0 GFADRO Cc1cc(Br)c2c(c1)CCN(Cc1cnnn1[C@@H]1CCC[NH2+]C1)C2 ZINC000903934700 663812829 /nfs/dbraw/zinc/81/28/29/663812829.db2.gz IWSIXDHWAQJSED-OAHLLOKOSA-N 1 0 390.329 2.832 20 0 GFADRO Brc1cc2c(c(CN[C@@H]3C[NH2+]CC4(CCOCC4)C3)c1)OCC2 ZINC000903973126 663814199 /nfs/dbraw/zinc/81/41/99/663814199.db2.gz OVCULOHKESXBJZ-INIZCTEOSA-N 1 0 381.314 2.632 20 0 GFADRO CCOc1ccc(Br)cc1NC(=O)N1CC[NH2+]C[C@H]1CCOC ZINC000904332471 663830790 /nfs/dbraw/zinc/83/07/90/663830790.db2.gz PFZOWEKNFOZYOL-CYBMUJFWSA-N 1 0 386.290 2.690 20 0 GFADRO O=C(Nc1cnn(-c2ccccc2Br)c1)N1CCC[C@@]12CC[NH2+]C2 ZINC000904393248 663832527 /nfs/dbraw/zinc/83/25/27/663832527.db2.gz ONLZXTSOVJZMGS-KRWDZBQOSA-N 1 0 390.285 2.995 20 0 GFADRO COC(=O)c1cccc(NC(=O)NC2(C3CC[NH2+]CC3)CC2)c1Br ZINC000904451221 663835141 /nfs/dbraw/zinc/83/51/41/663835141.db2.gz WHIOXUDEYXTYBC-UHFFFAOYSA-N 1 0 396.285 2.889 20 0 GFADRO CNC(=O)c1cccc(NC(=O)N2CCC[C@@H]3CC[C@@]32C[NH3+])c1Br ZINC000904483432 663835699 /nfs/dbraw/zinc/83/56/99/663835699.db2.gz JGHDHPMMEUMHIG-PIGZYNQJSA-N 1 0 395.301 2.544 20 0 GFADRO COC(=O)c1cc(NC(=O)N2CC[C@H]3CC[C@@]32C[NH3+])c(C)cc1Br ZINC000904486248 663836278 /nfs/dbraw/zinc/83/62/78/663836278.db2.gz YYWASNVWWONMRV-PIGZYNQJSA-N 1 0 396.285 2.889 20 0 GFADRO COC(=O)c1cc(NC(=O)N2CC[C@H]3CC[C@]32C[NH3+])c(C)cc1Br ZINC000904486246 663836317 /nfs/dbraw/zinc/83/63/17/663836317.db2.gz YYWASNVWWONMRV-DIFFPNOSSA-N 1 0 396.285 2.889 20 0 GFADRO Cn1ccnc1-c1noc(C2(c3ccc(Br)cc3)CC[NH2+]CC2)n1 ZINC000904607131 663838677 /nfs/dbraw/zinc/83/86/77/663838677.db2.gz MCUWKMVVUIKVBQ-UHFFFAOYSA-N 1 0 388.269 2.902 20 0 GFADRO [NH3+]Cc1ccc(-c2noc(C3(n4cc(Br)cn4)CC3)n2)c(F)c1 ZINC000904651694 663839229 /nfs/dbraw/zinc/83/92/29/663839229.db2.gz GTKMKLLXXRVVHG-UHFFFAOYSA-N 1 0 378.205 2.831 20 0 GFADRO CSCC[C@H]([NH3+])Cc1nc(CC(=O)Nc2ccccc2Br)no1 ZINC000904689580 663841039 /nfs/dbraw/zinc/84/10/39/663841039.db2.gz LUDRXPVSEMYBPV-JTQLQIEISA-N 1 0 399.314 2.636 20 0 GFADRO [NH3+][C@@H]1CCCn2nc(-c3nc(-c4nc(Br)ccc4F)no3)cc21 ZINC000904709126 663841638 /nfs/dbraw/zinc/84/16/38/663841638.db2.gz SFTHUFKLMLINMZ-MRVPVSSYSA-N 1 0 379.193 2.690 20 0 GFADRO CCOC(=O)C1CCC(O)(C[C@@H](O)C[NH2+]CCc2ccc(Cl)s2)CC1 ZINC000905051300 663850774 /nfs/dbraw/zinc/85/07/74/663850774.db2.gz ULUZSFJMVUEBRR-TXKKKEFDSA-N 1 0 389.945 2.769 20 0 GFADRO C[C@H](c1ccc(F)c(Br)c1)n1cc(CN2CCC([NH3+])CC2)nn1 ZINC000905057062 663850995 /nfs/dbraw/zinc/85/09/95/663850995.db2.gz JALVTWILJWUPSJ-LLVKDONJSA-N 1 0 382.281 2.712 20 0 GFADRO OCC1(C[C@@H](O)C[NH2+][C@@H]2CCN(c3ccc(Br)cc3)C2)CCCC1 ZINC000905095889 663852799 /nfs/dbraw/zinc/85/27/99/663852799.db2.gz HFLWULPJSDLDMD-SJLPKXTDSA-N 1 0 397.357 2.921 20 0 GFADRO O[C@H](C[NH2+][C@H]1CCN(c2ccc(Br)cc2)C1)CC1(O)CCCC1 ZINC000905099160 663852819 /nfs/dbraw/zinc/85/28/19/663852819.db2.gz YZDXTSARFMKTSL-RDJZCZTQSA-N 1 0 383.330 2.674 20 0 GFADRO CCS(=O)(=O)c1ccc(C[NH2+]C[C@@H](O)CC[C@H](O)c2ccccc2)s1 ZINC000905241791 663862042 /nfs/dbraw/zinc/86/20/42/663862042.db2.gz GRWRNAMDJNJHKB-RDJZCZTQSA-N 1 0 383.535 2.506 20 0 GFADRO CCOC(=O)C1CCC(O)(C[C@@H](O)C[NH2+]CC[C@@]2(C)CC2(Cl)Cl)CC1 ZINC000905279801 663863698 /nfs/dbraw/zinc/86/36/98/663863698.db2.gz NDVOLYVFCCDZDU-HTUOJYHCSA-N 1 0 396.355 2.785 20 0 GFADRO CC1(C)C[NH2+][C@@H]1C1CCN(S(=O)(=O)c2ccc(Cl)nc2Cl)CC1 ZINC000905359672 663867586 /nfs/dbraw/zinc/86/75/86/663867586.db2.gz NJJLHWPLXQLZKR-CYBMUJFWSA-N 1 0 378.325 2.787 20 0 GFADRO Cc1nc(CNc2ccc(N3CC[NH+](C)CC3)cn2)sc1Br ZINC000905408062 663870293 /nfs/dbraw/zinc/87/02/93/663870293.db2.gz NADCJSTUGPOIDD-UHFFFAOYSA-N 1 0 382.331 2.973 20 0 GFADRO O=C(CC[NH2+]C[C@@H](CO)Cc1ccoc1)Nc1cccc(Br)c1 ZINC000905421266 663870844 /nfs/dbraw/zinc/87/08/44/663870844.db2.gz XGDJQBHJFXGSHL-AWEZNQCLSA-N 1 0 381.270 2.812 20 0 GFADRO C[C@](O)(C[NH2+][C@@H]1CC[C@@H](O)[C@@H](O)CC1)c1ccc(Br)cc1Cl ZINC000905465699 663872571 /nfs/dbraw/zinc/87/25/71/663872571.db2.gz OESQLCGVKBZVMQ-KSYCFECVSA-N 1 0 392.721 2.564 20 0 GFADRO C[C@@H]1C[C@]2(CC[C@@H](C[NH2+]C[C@@H](O)c3ccc(F)c(Br)c3)O2)CO1 ZINC000905489342 663873864 /nfs/dbraw/zinc/87/38/64/663873864.db2.gz ZODSPDMBPBXTFA-VGOVLVCLSA-N 1 0 388.277 2.938 20 0 GFADRO CN(C)S(=O)(=O)Cc1ccc(C[NH2+]C[C@H](O)c2cccc(Cl)c2)cc1 ZINC000905521960 663876090 /nfs/dbraw/zinc/87/60/90/663876090.db2.gz UZRIBOVMMNVIOY-SFHVURJKSA-N 1 0 382.913 2.555 20 0 GFADRO CC(C)(C)n1cc(C[NH2+]C[C@@H](O)c2ccc(Cl)cc2Cl)c(=O)[nH]c1=O ZINC000905529286 663876626 /nfs/dbraw/zinc/87/66/26/663876626.db2.gz MOTNOQQMNLOMLB-CQSZACIVSA-N 1 0 386.279 2.834 20 0 GFADRO CC(C)(O)C[C@H](O)C[NH2+]Cc1ccc(Br)c(Br)c1 ZINC000905654833 663884080 /nfs/dbraw/zinc/88/40/80/663884080.db2.gz RLEQFXUSKXJTBU-JTQLQIEISA-N 1 0 381.108 2.823 20 0 GFADRO CCOC(=O)C1CCC(O)(C[C@H](O)C[NH2+]Cc2ccc(Cl)s2)CC1 ZINC000905906529 663900004 /nfs/dbraw/zinc/90/00/04/663900004.db2.gz SHKFZRJQSUPYNM-JZLYGMAVSA-N 1 0 375.918 2.727 20 0 GFADRO CC(C)(C)[NH2+]CCC(=O)N(Cc1ncc[nH]1)c1cncc(Br)c1 ZINC000905983676 663905148 /nfs/dbraw/zinc/90/51/48/663905148.db2.gz HCHINAFYDHNJLW-UHFFFAOYSA-N 1 0 380.290 2.879 20 0 GFADRO CC[S@](C)(=O)=NS(=O)(=O)Nc1ccc(C[NH+](C)C)c(C(F)(F)F)c1 ZINC000906073265 663921742 /nfs/dbraw/zinc/92/17/42/663921742.db2.gz QDSMJJUMUQWURZ-QHCPKHFHSA-N 1 0 387.449 2.541 20 0 GFADRO C[NH+]1CCC(N(Cc2ccco2)C(=O)C[C@H](O)C(Cl)(Cl)Cl)CC1 ZINC000906672931 663964402 /nfs/dbraw/zinc/96/44/02/663964402.db2.gz HKRLTBUBMWVTAJ-ZDUSSCGKSA-N 1 0 383.703 2.824 20 0 GFADRO C[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(Cn2cc(Br)cn2)s1 ZINC000906677515 663964809 /nfs/dbraw/zinc/96/48/09/663964809.db2.gz ZOSQBOWJQWNVOG-LBPRGKRZSA-N 1 0 383.315 2.579 20 0 GFADRO C[NH+](C)CC[C@H](NC(=O)c1nscc1I)C(C)(C)C ZINC000906719860 663966900 /nfs/dbraw/zinc/96/69/00/663966900.db2.gz VIMKRJGHDWHKBP-JTQLQIEISA-N 1 0 395.310 2.844 20 0 GFADRO COC(=O)c1nc(C(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)cs1 ZINC000906794791 663971578 /nfs/dbraw/zinc/97/15/78/663971578.db2.gz ZYAWLRFOSXXDNB-SMDDNHRTSA-N 1 0 379.507 2.804 20 0 GFADRO C[NH+](C)[C@@]1(CNC(=O)c2ccc(Cn3cc(Cl)cn3)s2)CCSC1 ZINC000906900923 663980528 /nfs/dbraw/zinc/98/05/28/663980528.db2.gz JZNOFZDISAMRSW-MRXNPFEDSA-N 1 0 384.958 2.813 20 0 GFADRO CCO[C@@H](CC[NH+](C)C)CNC(=O)[C@H](OC)c1ccc(Br)s1 ZINC000906941441 663984737 /nfs/dbraw/zinc/98/47/37/663984737.db2.gz ILEKYAJACLBXSX-SMDDNHRTSA-N 1 0 393.347 2.671 20 0 GFADRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2cc(Br)cn(C3CC3)c2=O)C1 ZINC000907066252 663999194 /nfs/dbraw/zinc/99/91/94/663999194.db2.gz TWUGKKYPZGQQIN-WBMJQRKESA-N 1 0 394.313 2.502 20 0 GFADRO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)S(=O)(=O)C[C@H]3CCCOC3)C2)s1 ZINC000907343331 664025518 /nfs/dbraw/zinc/02/55/18/664025518.db2.gz BJJALRQZBYWPLB-IRXDYDNUSA-N 1 0 386.583 2.567 20 0 GFADRO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)S(=O)(=O)c3cccnc3F)C2)s1 ZINC000907346998 664026587 /nfs/dbraw/zinc/02/65/87/664026587.db2.gz QZASTPGZHFSLQC-AWEZNQCLSA-N 1 0 383.514 2.733 20 0 GFADRO CC(C)[NH+]1CCN(CCCC(=O)N2CCSC[C@H]2c2nccs2)CC1 ZINC000907455300 664035935 /nfs/dbraw/zinc/03/59/35/664035935.db2.gz HPBIUISEOCWZLX-INIZCTEOSA-N 1 0 382.599 2.566 20 0 GFADRO C[N@@H+]1CCC[C@](O)(CC(=O)NCc2cnc(-c3ccc(Cl)cc3)s2)C1 ZINC000908084563 664082136 /nfs/dbraw/zinc/08/21/36/664082136.db2.gz DDCZELYLZMHVJM-SFHVURJKSA-N 1 0 379.913 2.927 20 0 GFADRO CCOc1cc(Br)c(F)cc1NC(=O)C[C@@]1(O)CCC[N@H+](C)C1 ZINC000908302680 664097895 /nfs/dbraw/zinc/09/78/95/664097895.db2.gz LHHNJXCDUIDGNY-INIZCTEOSA-N 1 0 389.265 2.772 20 0 GFADRO C[C@@H]1CN(C(=O)c2cc(Br)cn(C3CC3)c2=O)CC[N@@H+](C2CC2)C1 ZINC000908504305 664111217 /nfs/dbraw/zinc/11/12/17/664111217.db2.gz WATHUEFWDQUFQX-LBPRGKRZSA-N 1 0 394.313 2.502 20 0 GFADRO C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1cc(Br)cn(C3CC3)c1=O)C2 ZINC000908534836 664113103 /nfs/dbraw/zinc/11/31/03/664113103.db2.gz GKYQTCMLALAHQP-GOSISDBHSA-N 1 0 394.313 2.504 20 0 GFADRO CC(C)[NH+]1CCN(CCCC(=O)Nc2cc(O)cc(Br)c2)CC1 ZINC000909071253 664143414 /nfs/dbraw/zinc/14/34/14/664143414.db2.gz NNXKOFZKPRPECU-UHFFFAOYSA-N 1 0 384.318 2.899 20 0 GFADRO CCC[N@@H+]1CCC[C@@H](C(=O)NCc2cc(Cl)cc(S(=O)(=O)CC)c2)C1 ZINC000910408927 664209962 /nfs/dbraw/zinc/20/99/62/664209962.db2.gz VMIAETINSVUWTR-OAHLLOKOSA-N 1 0 386.945 2.872 20 0 GFADRO Cc1ccc(Br)nc1C(=O)N1CCC(C[N@@H+](CCO)C(C)C)CC1 ZINC000910868957 664230560 /nfs/dbraw/zinc/23/05/60/664230560.db2.gz LXBBUFMKLGAGTE-UHFFFAOYSA-N 1 0 398.345 2.707 20 0 GFADRO C[C@@H](NC(=O)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1)c1cccc(Cl)c1Cl ZINC000911125938 664235890 /nfs/dbraw/zinc/23/58/90/664235890.db2.gz REEOEWJVFIWYMO-BCMRRPTOSA-N 1 0 398.212 2.519 20 0 GFADRO C[C@@H](C(=O)N1CCc2[nH]cnc2[C@@H]1c1ccc(Br)cc1)[NH+](C)C ZINC000911254053 664241387 /nfs/dbraw/zinc/24/13/87/664241387.db2.gz QEYSXRWZFUHUMI-ZBEGNZNMSA-N 1 0 377.286 2.596 20 0 GFADRO CCCN(C(=O)C(F)(F)c1ncccc1Br)[C@H]1CC[N@H+](C)C1 ZINC000911512171 664247528 /nfs/dbraw/zinc/24/75/28/664247528.db2.gz OGSQITPIKPINOZ-NSHDSACASA-N 1 0 376.245 2.879 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)c1cc2ccc(Br)cc2c(=O)o1 ZINC000911685365 664252758 /nfs/dbraw/zinc/25/27/58/664252758.db2.gz SVKOQMMERXHJFY-YGRLFVJLSA-N 1 0 379.254 2.897 20 0 GFADRO [NH3+]C1CCC(NC(=O)c2cnn(Cc3ccccc3)c2Br)CC1 ZINC000911728534 664254487 /nfs/dbraw/zinc/25/44/87/664254487.db2.gz WRNUWWOPUNQCNC-UHFFFAOYSA-N 1 0 377.286 2.694 20 0 GFADRO CC(C)C[C@](C)(C[NH3+])NC(=O)C[C@@H]1c2cc(Br)ccc2NC1=O ZINC000911832958 664257751 /nfs/dbraw/zinc/25/77/51/664257751.db2.gz XESYVMIEDXPEGG-CXAGYDPISA-N 1 0 382.302 2.755 20 0 GFADRO C[C@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(I)cc1 ZINC000911857612 664259362 /nfs/dbraw/zinc/25/93/62/664259362.db2.gz ZUKCTRRYKRKHDY-GLQYFDAESA-N 1 0 384.261 2.748 20 0 GFADRO Cc1c(C(=O)N(C)C2CCC([NH3+])CC2)nnn1-c1ccccc1Br ZINC000911866718 664259907 /nfs/dbraw/zinc/25/99/07/664259907.db2.gz BYKHDPXZOQZJQR-UHFFFAOYSA-N 1 0 392.301 2.680 20 0 GFADRO CC(C)C[N@H+](C)CCCNC(=O)c1cc(Br)cn(C2CC2)c1=O ZINC000911869417 664259918 /nfs/dbraw/zinc/25/99/18/664259918.db2.gz WMJBUPVSODZBDC-UHFFFAOYSA-N 1 0 384.318 2.653 20 0 GFADRO CC(C)[C@H]([NH3+])CCN(C)C(=O)C[C@@H]1c2cc(Br)ccc2NC1=O ZINC000911869778 664259929 /nfs/dbraw/zinc/25/99/29/664259929.db2.gz CNEOYWAFJDGCCJ-ZIAGYGMSSA-N 1 0 382.302 2.707 20 0 GFADRO C[C@@H](C[NH+]1CCN(C)CC1)Nc1ccc(-c2nnc(Br)o2)cc1 ZINC000911882398 664260769 /nfs/dbraw/zinc/26/07/69/664260769.db2.gz JOYIFCJEUVJYGF-LBPRGKRZSA-N 1 0 380.290 2.547 20 0 GFADRO C[NH+]1CCC(N(CCO)C(=O)CCCc2ccc(Br)s2)CC1 ZINC000911936162 664262473 /nfs/dbraw/zinc/26/24/73/664262473.db2.gz XTFQDZUQBJAVOI-UHFFFAOYSA-N 1 0 389.359 2.748 20 0 GFADRO C[C@H](Oc1cccc(Cl)c1Cl)C(=O)N(CCO)C1CC[NH+](C)CC1 ZINC000911934540 664262532 /nfs/dbraw/zinc/26/25/32/664262532.db2.gz FWGWGMIPBUVOIQ-LBPRGKRZSA-N 1 0 375.296 2.676 20 0 GFADRO CN(Cc1ccc(Br)cc1)C(=O)[C@@H]1CC[NH2+][C@@H]([C@@H]2CCCO2)C1 ZINC000912013598 664266203 /nfs/dbraw/zinc/26/62/03/664266203.db2.gz VRTNKDRZCZEDTC-OIISXLGYSA-N 1 0 381.314 2.955 20 0 GFADRO O=C(C[C@@]1(O)CCC[NH2+]C1)Nc1ccnn1Cc1c(Cl)cccc1Cl ZINC000912154442 664272031 /nfs/dbraw/zinc/27/20/31/664272031.db2.gz AMYGDQQWSPOBST-KRWDZBQOSA-N 1 0 383.279 2.681 20 0 GFADRO N[C@@H](C(=O)N1CCc2sccc2C1)c1ccccc1I ZINC000912187287 664275042 /nfs/dbraw/zinc/27/50/42/664275042.db2.gz TYIOVYOEGWIVAD-CQSZACIVSA-N 1 0 398.269 2.937 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)c1cc(Br)cn(C2CC2)c1=O ZINC000912283296 664279513 /nfs/dbraw/zinc/27/95/13/664279513.db2.gz IKSBDCWHYNOZEI-ZDUSSCGKSA-N 1 0 382.302 2.548 20 0 GFADRO CCn1cc(NC(=O)C[C@@H]([NH3+])Cc2ccc(Br)cc2)ccc1=O ZINC000912423220 664285911 /nfs/dbraw/zinc/28/59/11/664285911.db2.gz JTJDOGDLEWHZCV-AWEZNQCLSA-N 1 0 378.270 2.529 20 0 GFADRO C[NH+](C)Cc1ccc(C(=O)N2CCOc3ccc(Br)cc32)cn1 ZINC000912432118 664286242 /nfs/dbraw/zinc/28/62/42/664286242.db2.gz HMUZQPIYTLAYCM-UHFFFAOYSA-N 1 0 376.254 2.945 20 0 GFADRO CN(C(=O)C1C[NH+](C2CCOCC2)C1)[C@@H](CO)c1cccc(Cl)c1Cl ZINC000912462541 664288140 /nfs/dbraw/zinc/28/81/40/664288140.db2.gz MDRXUNRSOREIHU-INIZCTEOSA-N 1 0 387.307 2.596 20 0 GFADRO Cc1cc(OC(F)F)c(C(=O)N2CCC(CO)([NH2+]CC(C)C)CC2)s1 ZINC000912587805 664293886 /nfs/dbraw/zinc/29/38/86/664293886.db2.gz GDDKDLCUPYQUAP-UHFFFAOYSA-N 1 0 376.469 2.871 20 0 GFADRO CC(C)[NH+]1CCN(CCC(=O)NC[C@H](O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000912696009 664298271 /nfs/dbraw/zinc/29/82/71/664298271.db2.gz YMNQQJDSUARGRI-KRWDZBQOSA-N 1 0 388.339 2.559 20 0 GFADRO O=C(c1cc(Br)cc2c1OCCO2)N1CCC([NH+]2CCC2)CC1 ZINC000912870509 664306763 /nfs/dbraw/zinc/30/67/63/664306763.db2.gz CAFJAJNGXROLHH-UHFFFAOYSA-N 1 0 381.270 2.531 20 0 GFADRO COc1cc(C(=O)N2CCC([NH+]3CCC3)CC2)cc(Br)c1OC ZINC000912874152 664307009 /nfs/dbraw/zinc/30/70/09/664307009.db2.gz ZFSTWSAKJVQVJI-UHFFFAOYSA-N 1 0 383.286 2.777 20 0 GFADRO O=C(c1ccc2[nH]cc(I)c2c1)N1CC[C@H]([NH+]2CCC2)C1 ZINC000912899862 664309043 /nfs/dbraw/zinc/30/90/43/664309043.db2.gz BRZRNSJTBYJIEX-LBPRGKRZSA-N 1 0 395.244 2.693 20 0 GFADRO O=C(NCc1ccnc(Br)c1)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000913079419 664320949 /nfs/dbraw/zinc/32/09/49/664320949.db2.gz BBFPMNSAZVIULX-MRXNPFEDSA-N 1 0 389.297 2.768 20 0 GFADRO C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(=O)[nH]c2c(Br)cccc12 ZINC000913536062 664343051 /nfs/dbraw/zinc/34/30/51/664343051.db2.gz GTNHOMGLOKOQDB-PHIMTYICSA-N 1 0 376.254 2.622 20 0 GFADRO Cc1nc(SC(F)F)sc1CC(=O)N1CC[NH+](CCCCCO)CC1 ZINC000913693790 664350650 /nfs/dbraw/zinc/35/06/50/664350650.db2.gz PQIFKAGVYSSBQQ-UHFFFAOYSA-N 1 0 393.525 2.616 20 0 GFADRO O=C([C@@H]1C[C@H]1c1ccc(Br)cc1)N1CC[NH+](CCCCCO)CC1 ZINC000913694875 664350992 /nfs/dbraw/zinc/35/09/92/664350992.db2.gz IRDCEDMTOZGXFX-ZWKOTPCHSA-N 1 0 395.341 2.859 20 0 GFADRO C[NH+](C)C1(C)CCC(NC(=O)c2cc(Br)cn(C3CC3)c2=O)CC1 ZINC000913738271 664353994 /nfs/dbraw/zinc/35/39/94/664353994.db2.gz OZBLRJLOEUYJBC-UHFFFAOYSA-N 1 0 396.329 2.938 20 0 GFADRO O=S(=O)(Cc1ccsc1Br)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000913926683 664365884 /nfs/dbraw/zinc/36/58/84/664365884.db2.gz JWQAFFPGTYJLFR-RYUDHWBXSA-N 1 0 379.345 2.557 20 0 GFADRO O=S(=O)(c1occc1Br)N1CCC([NH+]2CCCCC2)CC1 ZINC000913938016 664367334 /nfs/dbraw/zinc/36/73/34/664367334.db2.gz ITALCJKCNZFNIV-UHFFFAOYSA-N 1 0 377.304 2.681 20 0 GFADRO CC[N@@H+]1CCC[C@@H](CNS(=O)(=O)Cc2ccsc2Br)C1 ZINC000914025956 664372686 /nfs/dbraw/zinc/37/26/86/664372686.db2.gz KFVALEGOTBZWKQ-NSHDSACASA-N 1 0 381.361 2.662 20 0 GFADRO C[C@H]1C[C@H](N(C)S(=O)(=O)Cc2ccc(F)cc2Br)CC[N@@H+]1C ZINC000914179906 664383528 /nfs/dbraw/zinc/38/35/28/664383528.db2.gz XUUQSAHDBHTONK-SMDDNHRTSA-N 1 0 393.322 2.833 20 0 GFADRO C[C@H](Cn1ccnc1)NC(=O)N1CCc2cc(F)c(Br)cc2C1 ZINC000914197560 664384419 /nfs/dbraw/zinc/38/44/19/664384419.db2.gz JNRMMMZBKZIEJU-LLVKDONJSA-N 1 0 381.249 2.941 20 0 GFADRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2S(=O)(=O)Cc2ccsc2Br)C1 ZINC000914268210 664392753 /nfs/dbraw/zinc/39/27/53/664392753.db2.gz UUWXVUUQANSNHO-WCQYABFASA-N 1 0 393.372 2.757 20 0 GFADRO C[C@H]1CCC[C@@](CNC(=O)N(C)Cc2ncc(Br)cn2)([NH+](C)C)C1 ZINC000914313751 664398032 /nfs/dbraw/zinc/39/80/32/664398032.db2.gz FJPNNACCNGAOFB-SUMWQHHRSA-N 1 0 398.349 2.891 20 0 GFADRO COC(=O)c1ccc(Cl)c(S(=O)(=O)NCCC[N@@H+]2CCCC[C@@H]2C)c1 ZINC000915354767 664428885 /nfs/dbraw/zinc/42/88/85/664428885.db2.gz CVZHFOYBWFQXRV-ZDUSSCGKSA-N 1 0 388.917 2.669 20 0 GFADRO CCOC(=O)N[C@@H]1CCC[N@H+](C[C@@H](O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000915683109 664437574 /nfs/dbraw/zinc/43/75/74/664437574.db2.gz OYNSCIGMTIKQIQ-CHWSQXEVSA-N 1 0 391.295 2.944 20 0 GFADRO O=C(NCCC[NH+]1CCN(c2ccccc2)CC1)NC[C@@H]1CC1(Cl)Cl ZINC000915693338 664437984 /nfs/dbraw/zinc/43/79/84/664437984.db2.gz LXBYBYCIBHQNHZ-HNNXBMFYSA-N 1 0 385.339 2.692 20 0 GFADRO CCN(C1CC[NH+](C)CC1)S(=O)(=O)Cc1cccc(F)c1Br ZINC000916074004 664448872 /nfs/dbraw/zinc/44/88/72/664448872.db2.gz ZDHMVYAZQVIXNX-UHFFFAOYSA-N 1 0 393.322 2.834 20 0 GFADRO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2S(=O)(=O)Cc1ccsc1Br ZINC000919286644 664510776 /nfs/dbraw/zinc/51/07/76/664510776.db2.gz FUUOACYRFPAUIU-VXGBXAGGSA-N 1 0 379.345 2.509 20 0 GFADRO C[N@@H+]1CCCC[C@H]1CCOC(=O)CNC(=O)c1ccc(Br)s1 ZINC000919490785 664513717 /nfs/dbraw/zinc/51/37/17/664513717.db2.gz PJKFCAUSIGPXJH-NSHDSACASA-N 1 0 389.315 2.658 20 0 GFADRO O=C(N[C@H]1CC[N@H+](CC2CC2)C1)N1CCC[C@@H]1c1ncc(Br)cn1 ZINC000919628287 664515841 /nfs/dbraw/zinc/51/58/41/664515841.db2.gz QYIAXNUFRWOBRO-LSDHHAIUSA-N 1 0 394.317 2.570 20 0 GFADRO O[C@H](C[NH2+]C[C@H](O)COc1ccc(Cl)cc1Br)c1ccco1 ZINC000920091900 664522193 /nfs/dbraw/zinc/52/21/93/664522193.db2.gz UCIFTOGFNNZIJJ-WCQYABFASA-N 1 0 390.661 2.758 20 0 GFADRO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NS(=O)(=O)c3c(C)csc3C)C2)[C@H]1C(C)C ZINC000920308928 664524808 /nfs/dbraw/zinc/52/48/08/664524808.db2.gz GFWJETUEMJHNKD-AHCXZYCDSA-N 1 0 386.583 2.513 20 0 GFADRO CCC[NH+]1CCC(NC(=O)N2CCC[C@@H]2c2ncc(Br)cn2)CC1 ZINC000920505833 664527309 /nfs/dbraw/zinc/52/73/09/664527309.db2.gz FHGBODCDHHWUFJ-OAHLLOKOSA-N 1 0 396.333 2.960 20 0 GFADRO C[C@H]1C[C@@H](NC(=O)NC2(c3ncc(Br)cn3)CCC2)C[N@@H+]1C1CC1 ZINC000921384754 664545141 /nfs/dbraw/zinc/54/51/41/664545141.db2.gz WTFSGOCVAQKFCC-WCQYABFASA-N 1 0 394.317 2.543 20 0 GFADRO C[NH+](C)CC[C@@H](NS(=O)(=O)c1ccccc1Br)c1cccnc1 ZINC000921479039 664549827 /nfs/dbraw/zinc/54/98/27/664549827.db2.gz AASWKIYILIBGJQ-OAHLLOKOSA-N 1 0 398.326 2.815 20 0 GFADRO CC[NH+]1CCN(Cc2ccccc2CNCc2nc(Br)c[nH]2)CC1 ZINC000921541603 664552816 /nfs/dbraw/zinc/55/28/16/664552816.db2.gz IWWCIXJTYQLOBC-UHFFFAOYSA-N 1 0 392.345 2.600 20 0 GFADRO C[NH+](C)Cc1ccc(S(=O)(=O)NCC[C@H]2CC[C@H](C(F)(F)F)O2)cc1 ZINC000921574889 664554324 /nfs/dbraw/zinc/55/43/24/664554324.db2.gz ONDZWSSJFRRCLT-UKRRQHHQSA-N 1 0 380.432 2.527 20 0 GFADRO Cc1cccc(C[NH2+][C@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)c1Br ZINC000921969541 664579555 /nfs/dbraw/zinc/57/95/55/664579555.db2.gz MMEQDEZIACJZQN-HOCLYGCPSA-N 1 0 388.327 2.583 20 0 GFADRO CCn1c(C[NH2+]C2CCN(OC)CC2)nc(Br)c1Br ZINC000922193830 664589840 /nfs/dbraw/zinc/58/98/40/664589840.db2.gz GTUXCNDULIQUQJ-UHFFFAOYSA-N 1 0 396.127 2.543 20 0 GFADRO Cc1ccnc(CN[C@@H]2C[C@]3(C[N@@H+](C)[C@H]3C(C)C)C[C@H]2O)c1Br ZINC000922391371 664598474 /nfs/dbraw/zinc/59/84/74/664598474.db2.gz VRJFIGBMUFPQMI-LFVTVUPYSA-N 1 0 382.346 2.722 20 0 GFADRO CCn1ccnc1[C@@H]1OCC[C@H]1[NH2+]Cc1cc(Br)c(O)c(OC)c1 ZINC000922401587 664599667 /nfs/dbraw/zinc/59/96/67/664599667.db2.gz HNUIIEPHJUMEIU-CZUORRHYSA-N 1 0 396.285 3.000 20 0 GFADRO CN1C(=O)N=NC1C[C@@H]1CCCC[C@@H]1[NH2+]Cc1cccnc1Br ZINC000922404755 664599751 /nfs/dbraw/zinc/59/97/51/664599751.db2.gz PDRYRZIVHOSPGX-AAEUAGOBSA-N 1 0 380.290 2.569 20 0 GFADRO C[C@H](NC(=O)NCc1cn(C)nc1Br)[C@H](c1ccccc1)[NH+](C)C ZINC000922412387 664600557 /nfs/dbraw/zinc/60/05/57/664600557.db2.gz CSDOATXZBFFWMT-SWLSCSKDSA-N 1 0 394.317 2.673 20 0 GFADRO CS(=O)(=O)C1CCC(C[NH2+]Cc2ncc(Br)cc2F)CC1 ZINC000922417953 664600676 /nfs/dbraw/zinc/60/06/76/664600676.db2.gz MPZNVCLUOIMBHD-UHFFFAOYSA-N 1 0 379.295 2.676 20 0 GFADRO Cn1ncc(I)c1C[NH2+]CCc1ccc2ncccc2c1 ZINC000922474351 664603383 /nfs/dbraw/zinc/60/33/83/664603383.db2.gz BVNWARRYUGECJH-UHFFFAOYSA-N 1 0 392.244 2.905 20 0 GFADRO Cc1nn(-c2ccccc2Br)cc1C[NH2+]CC[C@@H]1CC(=O)N(C)C1 ZINC000922484010 664603480 /nfs/dbraw/zinc/60/34/80/664603480.db2.gz DQXZLMFZHZYZNV-CQSZACIVSA-N 1 0 391.313 2.901 20 0 GFADRO CCOc1c(Br)cc(C[NH2+]CC[C@@H]2CC(=O)N(C)C2)cc1OC ZINC000922485861 664603505 /nfs/dbraw/zinc/60/35/05/664603505.db2.gz KLTBGQZPLJFRCJ-GFCCVEGCSA-N 1 0 385.302 2.814 20 0 GFADRO CCOc1c(Br)cc(C[NH2+]CC[C@H]2CC(=O)N(C)C2)cc1OC ZINC000922485862 664603528 /nfs/dbraw/zinc/60/35/28/664603528.db2.gz KLTBGQZPLJFRCJ-LBPRGKRZSA-N 1 0 385.302 2.814 20 0 GFADRO C[NH+](C)CCCOc1cnccc1CNC(=O)NCc1cnc(Cl)s1 ZINC000922505865 664604804 /nfs/dbraw/zinc/60/48/04/664604804.db2.gz WYFRARKTUOZRCS-UHFFFAOYSA-N 1 0 383.905 2.521 20 0 GFADRO OC1(C2(C[NH2+]Cc3cc(Br)c4c(c3)OCCO4)CC2)CCOCC1 ZINC000922597109 664607910 /nfs/dbraw/zinc/60/79/10/664607910.db2.gz KEQJNOXZFGFLOR-UHFFFAOYSA-N 1 0 398.297 2.632 20 0 GFADRO CO[C@@]1(C[NH2+]Cc2cnc(-c3ccc(C)c(C)c3)s2)CCS(=O)(=O)C1 ZINC000922617528 664608513 /nfs/dbraw/zinc/60/85/13/664608513.db2.gz PWJNLQZCGWCFEM-GOSISDBHSA-N 1 0 380.535 2.720 20 0 GFADRO C[NH+](C)CC[C@@H](NCc1c(Cl)cccc1S(C)(=O)=O)c1cccnc1 ZINC000922628195 664608894 /nfs/dbraw/zinc/60/88/94/664608894.db2.gz OPCXPHOXMFZXDG-QGZVFWFLSA-N 1 0 381.929 2.921 20 0 GFADRO CS(=O)(=O)c1ccccc1CC[NH2+]Cc1cc(Cl)c2c(c1)OCCO2 ZINC000922677052 664610476 /nfs/dbraw/zinc/61/04/76/664610476.db2.gz MGMDZKNENKAAPQ-UHFFFAOYSA-N 1 0 381.881 2.847 20 0 GFADRO Cc1cc(C[NH2+]CCc2ccccc2S(C)(=O)=O)ncc1Br ZINC000922683430 664610583 /nfs/dbraw/zinc/61/05/83/664610583.db2.gz VIDRVSSBZFUTIN-UHFFFAOYSA-N 1 0 383.311 2.888 20 0 GFADRO CCS(=O)(=O)c1ccccc1CC[NH2+]Cc1nccn1CC(F)(F)F ZINC000922689580 664610807 /nfs/dbraw/zinc/61/08/07/664610807.db2.gz VJKDTLRTTDCDJK-UHFFFAOYSA-N 1 0 375.416 2.571 20 0 GFADRO CCS(=O)(=O)c1ccccc1CC[NH2+]Cc1c(Cl)nc(Cl)n1C ZINC000922687809 664610836 /nfs/dbraw/zinc/61/08/36/664610836.db2.gz AFEZYYWSGHCKPR-UHFFFAOYSA-N 1 0 376.309 2.853 20 0 GFADRO Brc1cc(C[NH2+]C[C@H]2C[C@@H]3COC[C@@H]3O2)cc2c1OCCCO2 ZINC000922724207 664612023 /nfs/dbraw/zinc/61/20/23/664612023.db2.gz FSZKGIQJRGIQAE-IOASZLSFSA-N 1 0 384.270 2.504 20 0 GFADRO Brc1cc(C[NH2+]C[C@@H]2C[C@@H]3COC[C@@H]3O2)cc2c1OCCCO2 ZINC000922724210 664612038 /nfs/dbraw/zinc/61/20/38/664612038.db2.gz FSZKGIQJRGIQAE-WWGRRREGSA-N 1 0 384.270 2.504 20 0 GFADRO Brc1cnc(C[NH2+]CC2CC3(C2)OCCO3)c(Br)c1 ZINC000922799809 664614709 /nfs/dbraw/zinc/61/47/09/664614709.db2.gz ODCOZWUOIFEWSQ-UHFFFAOYSA-N 1 0 392.091 2.849 20 0 GFADRO O=C(Cc1ccc(Br)cc1F)N1CCC([NH2+]C2CCOCC2)CC1 ZINC000922888135 664617710 /nfs/dbraw/zinc/61/77/10/664617710.db2.gz KCPLHBSGJXSCOK-UHFFFAOYSA-N 1 0 399.304 2.890 20 0 GFADRO Ic1cccc(C[NH2+]C[C@H]2CCN2C2CCOCC2)c1 ZINC000922953255 664619803 /nfs/dbraw/zinc/61/98/03/664619803.db2.gz OQDDJPLVKWCBHS-MRXNPFEDSA-N 1 0 386.277 2.634 20 0 GFADRO OC[C@H]1C[C@H]([NH2+]Cc2cc(Cl)cc(Cl)c2OCCN2CCOCC2)C1 ZINC000923005760 664620892 /nfs/dbraw/zinc/62/08/92/664620892.db2.gz SEGKFYOUAKCYHH-SAZUREKKSA-N 1 0 389.323 2.565 20 0 GFADRO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)c1cc(F)ccc1I ZINC000923294545 664627754 /nfs/dbraw/zinc/62/77/54/664627754.db2.gz JPIWUDSFWYNOFP-NWDGAFQWSA-N 1 0 388.224 2.739 20 0 GFADRO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)/C=C\c1ccc(I)o1 ZINC000923315631 664628134 /nfs/dbraw/zinc/62/81/34/664628134.db2.gz LDQNUESMWYJKGM-ZADDAZQUSA-N 1 0 386.233 2.593 20 0 GFADRO CCC[N@@H+]1CC[C@H](NC(=O)N2CCCC[C@H]2c2ncc(Br)cn2)C1 ZINC000923319961 664628197 /nfs/dbraw/zinc/62/81/97/664628197.db2.gz RDKMZPNHBUXSMB-GJZGRUSLSA-N 1 0 396.333 2.960 20 0 GFADRO C[C@H](C(=O)Nc1ccccc1Br)N1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923451745 664630821 /nfs/dbraw/zinc/63/08/21/664630821.db2.gz CLXVYRBWWAWMAO-KGLIPLIRSA-N 1 0 396.329 2.606 20 0 GFADRO [NH3+]C[C@@H]1Cc2cc(F)ccc2N(S(=O)(=O)c2occc2Br)C1 ZINC000923678246 664635438 /nfs/dbraw/zinc/63/54/38/664635438.db2.gz VHZRFWQHKLWACJ-VIFPVBQESA-N 1 0 389.246 2.508 20 0 GFADRO C[C@@H]1CN(S(=O)(=O)c2ccc(Br)cc2Cl)CC[C@@H]1C[NH3+] ZINC000923699910 664636362 /nfs/dbraw/zinc/63/63/62/664636362.db2.gz QCULTJGWQGVFHT-NXEZZACHSA-N 1 0 381.723 2.708 20 0 GFADRO C[NH+]1CCC(OCC(=O)OCc2c(F)ccc(Br)c2F)CC1 ZINC000923788289 664638019 /nfs/dbraw/zinc/63/80/19/664638019.db2.gz LHKIFFQUKOUHKT-UHFFFAOYSA-N 1 0 378.213 2.881 20 0 GFADRO C[NH+]1CCC(OCC(=O)OCC(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000923793806 664638135 /nfs/dbraw/zinc/63/81/35/664638135.db2.gz AUTHBEYFFDDIQF-UHFFFAOYSA-N 1 0 375.252 2.586 20 0 GFADRO Brc1cnn2cc(-c3nc([C@@H]4C[N@@H+]5CCC[C@H]5CO4)no3)ccc12 ZINC000923959982 664641746 /nfs/dbraw/zinc/64/17/46/664641746.db2.gz PPARGBNLCSRCHE-FZMZJTMJSA-N 1 0 390.241 2.683 20 0 GFADRO CSc1ccc(C[NH2+][C@@H](C)c2ccc(S(=O)(=O)CC(N)=O)cc2)cc1 ZINC000924770324 664661396 /nfs/dbraw/zinc/66/13/96/664661396.db2.gz OZVGMVZYUAYLNX-ZDUSSCGKSA-N 1 0 378.519 2.518 20 0 GFADRO C[C@H]([NH2+]CCc1ccc(Cl)s1)c1ccc(S(=O)(=O)CC(N)=O)cc1 ZINC000924821896 664662274 /nfs/dbraw/zinc/66/22/74/664662274.db2.gz RKUDRMIXRXBWMX-NSHDSACASA-N 1 0 386.926 2.554 20 0 GFADRO O=C1N[C@@H](c2ccc(Br)c(Cl)c2)C(=O)N1[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000924887076 664663614 /nfs/dbraw/zinc/66/36/14/664663614.db2.gz QSACIOSMWWTZCN-RISCZKNCSA-N 1 0 398.688 2.932 20 0 GFADRO COc1ccc(Br)c(C(=O)NCCC[NH2+][C@H](C)c2cn(C)cn2)c1 ZINC000925015691 664665174 /nfs/dbraw/zinc/66/51/74/664665174.db2.gz LNUHHEUYFUGMEF-GFCCVEGCSA-N 1 0 395.301 2.662 20 0 GFADRO C[C@H]1COC[C@@H]1[NH2+]CC(C)(C)S(=O)(=O)c1ccc(Br)cc1 ZINC000925104021 664666772 /nfs/dbraw/zinc/66/67/72/664666772.db2.gz VDUAAEBKPZIITQ-FZMZJTMJSA-N 1 0 376.316 2.626 20 0 GFADRO C[C@H]1COC[C@@H](C)[C@@H]1[NH2+]CCc1ccc(S(=O)(=O)N2CCCCC2)s1 ZINC000925167650 664667917 /nfs/dbraw/zinc/66/79/17/664667917.db2.gz TZQPQHWVZVAWLZ-HWWDLCQESA-N 1 0 386.583 2.726 20 0 GFADRO CCS[C@@H]1CCC[C@H]([NH2+][C@@H](C)c2ccc(S(=O)(=O)CC(N)=O)cc2)C1 ZINC000925219152 664668934 /nfs/dbraw/zinc/66/89/34/664668934.db2.gz SKALAZFAHWUUDA-CWRNSKLLSA-N 1 0 384.567 2.661 20 0 GFADRO C[C@H](CCS(C)(=O)=O)[NH2+][C@@H]1C[C@H](NC(=O)OC(C)(C)C)CC(C)(C)C1 ZINC000925276565 664669630 /nfs/dbraw/zinc/66/96/30/664669630.db2.gz OTRCZSJEBXQELO-KFWWJZLASA-N 1 0 376.563 2.871 20 0 GFADRO O=S(=O)(C(F)F)N1CCC(C[NH2+][C@H]2CCc3c2nccc3Cl)CC1 ZINC000925395809 664671883 /nfs/dbraw/zinc/67/18/83/664671883.db2.gz HKMIIMRCTGTKGL-ZDUSSCGKSA-N 1 0 379.860 2.576 20 0 GFADRO O=C(NCC[NH2+][C@@H](C1CC1)[C@H]1CCCOC1)c1cccc(Br)c1 ZINC000925401824 664671935 /nfs/dbraw/zinc/67/19/35/664671935.db2.gz WMGYTHKESNQMOY-RDJZCZTQSA-N 1 0 381.314 2.974 20 0 GFADRO O=C(NCC[NH2+][C@H](C1CC1)C1CCOCC1)c1cccc(Br)c1 ZINC000925399063 664671956 /nfs/dbraw/zinc/67/19/56/664671956.db2.gz CWOBUJDQGIBDTP-QGZVFWFLSA-N 1 0 381.314 2.974 20 0 GFADRO Cc1cc(S(=O)(=O)NCC[NH2+][C@H](C)c2ccnn2C2CCC2)c(C)s1 ZINC000925578445 664673319 /nfs/dbraw/zinc/67/33/19/664673319.db2.gz DKDJLTKDIDJUFI-CYBMUJFWSA-N 1 0 382.555 2.916 20 0 GFADRO CS(=O)(=O)N1CC[C@H](C[NH2+]C(CCC(F)(F)F)CCC(F)(F)F)C1 ZINC000925622993 664673531 /nfs/dbraw/zinc/67/35/31/664673531.db2.gz NXBQFELRGIVOPK-SNVBAGLBSA-N 1 0 384.386 2.911 20 0 GFADRO Brc1ccc([C@H](Cc2ccccn2)N[C@H]2C[NH2+]CCOC2)cc1 ZINC000925649362 664673750 /nfs/dbraw/zinc/67/37/50/664673750.db2.gz JEQOENUXZINUFF-ROUUACIJSA-N 1 0 376.298 2.706 20 0 GFADRO [NH3+][C@H]1C[C@H]2COC[C@@H](C1)[C@H]2NCC(F)(F)c1ccc(Br)cc1 ZINC000925720029 664674098 /nfs/dbraw/zinc/67/40/98/664674098.db2.gz DIFIXZOBAIJBDQ-AENSPPBMSA-N 1 0 375.257 2.883 20 0 GFADRO C[C@@H](Oc1ccc(Cl)cc1Cl)[C@H](C)[NH2+]CC[C@@H]1CNCCS1(=O)=O ZINC000925791001 664674748 /nfs/dbraw/zinc/67/47/48/664674748.db2.gz DNCXNDPQKXWNIJ-OUCADQQQSA-N 1 0 395.352 2.516 20 0 GFADRO O=S1(=O)CCNC[C@H]1CC[NH2+][C@@H]1CCCc2cc(SC(F)F)ccc21 ZINC000925796411 664674872 /nfs/dbraw/zinc/67/48/72/664674872.db2.gz OLBQHFOHBPFBDG-GDBMZVCRSA-N 1 0 390.521 2.745 20 0 GFADRO O=S1(=O)CCNC[C@@H]1CC[NH2+][C@@H]1CCCc2c(Cl)sc(Cl)c21 ZINC000925791955 664674898 /nfs/dbraw/zinc/67/48/98/664674898.db2.gz HLWRPCSQHHNVNQ-GXSJLCMTSA-N 1 0 383.366 2.799 20 0 GFADRO C[C@H]([NH2+]CC[C@H]1CNCCS1(=O)=O)c1ccc(SCC(F)(F)F)cc1 ZINC000925791757 664674923 /nfs/dbraw/zinc/67/49/23/664674923.db2.gz GSTJCOIXQYPSEG-WFASDCNBSA-N 1 0 396.500 2.768 20 0 GFADRO Cc1ccc(SCC(F)(F)F)c(NC(=O)N2CCC[C@@]([NH3+])(CO)C2)c1 ZINC000926038206 664679618 /nfs/dbraw/zinc/67/96/18/664679618.db2.gz VVCHVDQOVFIZAD-HNNXBMFYSA-N 1 0 377.432 2.967 20 0 GFADRO C[C@@H]1CN(C(=O)Nc2cccc(F)c2I)CC[C@H]1C[NH3+] ZINC000926080487 664681077 /nfs/dbraw/zinc/68/10/77/664681077.db2.gz XAMFFDYTOZCSKP-ZJUUUORDSA-N 1 0 391.228 2.879 20 0 GFADRO Cc1nc(NC(=O)N2CCC3(CO[C@H](C[NH3+])C3)CC2)ccc1Br ZINC000926091038 664681411 /nfs/dbraw/zinc/68/14/11/664681411.db2.gz KVCARMCXRFWHHG-LBPRGKRZSA-N 1 0 383.290 2.514 20 0 GFADRO CCOc1c(Cl)cc(NC(=O)NCCN2CCC([NH3+])CC2)cc1Cl ZINC000926092878 664681573 /nfs/dbraw/zinc/68/15/73/664681573.db2.gz GXRJMTAEUBYJJD-UHFFFAOYSA-N 1 0 375.300 2.937 20 0 GFADRO [NH3+]C1CCN(CCNC(=O)Nc2cc3ccccc3nc2Br)CC1 ZINC000926105088 664681796 /nfs/dbraw/zinc/68/17/96/664681796.db2.gz WDCQDNMUIDLQRM-UHFFFAOYSA-N 1 0 392.301 2.542 20 0 GFADRO CNC(=O)c1cccc(NC(=O)N2CC[C@@]3(C2)CCCC[NH2+]3)c1Br ZINC000926116202 664682236 /nfs/dbraw/zinc/68/22/36/664682236.db2.gz POLXWHURLXSHOY-QGZVFWFLSA-N 1 0 395.301 2.559 20 0 GFADRO Cc1oc(Br)cc1C(=O)N[C@@H]1C[C@@]2(C[N@@H+](C)[C@H]2C(C)C)C[C@H]1O ZINC000926145071 664682934 /nfs/dbraw/zinc/68/29/34/664682934.db2.gz RHHBUVRREZPOEX-LGWLGOQQSA-N 1 0 385.302 2.560 20 0 GFADRO O=C(NCC1(n2cc(Br)cn2)CC1)Nc1cccc2c1CC[NH2+]C2 ZINC000926151447 664683100 /nfs/dbraw/zinc/68/31/00/664683100.db2.gz VVEFOMPPXGBHLT-UHFFFAOYSA-N 1 0 390.285 2.602 20 0 GFADRO CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NC(=O)c1cccc(Br)c1F)C2 ZINC000926152219 664683137 /nfs/dbraw/zinc/68/31/37/664683137.db2.gz GFCZVNZCSUMLFB-AHEZYBDSSA-N 1 0 399.304 2.798 20 0 GFADRO CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NC(=O)c1c(F)cccc1Br)C2 ZINC000926166130 664683396 /nfs/dbraw/zinc/68/33/96/664683396.db2.gz HBAUKDMTDNJXOA-GZOSKZMVSA-N 1 0 399.304 2.798 20 0 GFADRO Cc1cccc(C(=O)N[C@@H]2C[C@]3(C[N@@H+](C)[C@H]3C(C)C)C[C@H]2O)c1Br ZINC000926164106 664683417 /nfs/dbraw/zinc/68/34/17/664683417.db2.gz KTTSYCKWOLEYTD-IIHSZXCVSA-N 1 0 395.341 2.967 20 0 GFADRO CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NC(=O)[C@H]1SCCc3sccc31)C2 ZINC000926169482 664683618 /nfs/dbraw/zinc/68/36/18/664683618.db2.gz FMQIPYNNPAMMSP-ZGDBMJCWSA-N 1 0 380.579 2.674 20 0 GFADRO COc1cc(Br)cc(CNC(=O)N[C@H](CC[NH3+])C(F)(F)F)c1 ZINC000926171276 664683790 /nfs/dbraw/zinc/68/37/90/664683790.db2.gz UPDSQEBUQZDYFC-LLVKDONJSA-N 1 0 384.196 2.537 20 0 GFADRO C[C@H]1CN(C(=O)Nc2ccc(I)cc2F)CC[C@@H]1C[NH3+] ZINC000926174406 664683919 /nfs/dbraw/zinc/68/39/19/664683919.db2.gz RFIXRDYAYQDDGX-VHSXEESVSA-N 1 0 391.228 2.879 20 0 GFADRO CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)c1cccc(Br)c1)C2 ZINC000926191704 664684526 /nfs/dbraw/zinc/68/45/26/664684526.db2.gz CSLVJPFPDRHBLB-CBZIJGRNSA-N 1 0 381.314 2.659 20 0 GFADRO Cc1c(C)c(NC(=O)N2C[C@H](C)[C@H](C[NH3+])C2)ccc1I ZINC000926203987 664684841 /nfs/dbraw/zinc/68/48/41/664684841.db2.gz UMTYFCUFBUWHPV-JOYOIKCWSA-N 1 0 387.265 2.967 20 0 GFADRO COc1cc(Br)cc(CNC(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)c1 ZINC000926291802 664686780 /nfs/dbraw/zinc/68/67/80/664686780.db2.gz XTZGXYAJWJQJOR-KRWDZBQOSA-N 1 0 382.302 2.695 20 0 GFADRO CC(=O)N[C@@H](c1ccccc1F)[C@@H](C)[NH2+]CCn1cc(Br)cn1 ZINC000926415418 664689772 /nfs/dbraw/zinc/68/97/72/664689772.db2.gz SNXBULAFMOJGID-BDJLRTHQSA-N 1 0 383.265 2.640 20 0 GFADRO Cc1cc(C[C@@H]2CCC[C@H]2[NH2+]CCn2cc(Br)ccc2=O)n(C)n1 ZINC000926503091 664690802 /nfs/dbraw/zinc/69/08/02/664690802.db2.gz SISQJBNCVFPJPB-WMLDXEAASA-N 1 0 393.329 2.654 20 0 GFADRO COc1ccc(C[C@H](CO)C[NH2+][C@@H](C)c2nonc2C)cc1Br ZINC000926536699 664691752 /nfs/dbraw/zinc/69/17/52/664691752.db2.gz BCFTUBKCXIBDJZ-GWCFXTLKSA-N 1 0 384.274 2.651 20 0 GFADRO COc1ccc(C[C@H](CO)C[NH2+]C2[C@H](C)COC[C@H]2C)cc1Br ZINC000926541756 664691929 /nfs/dbraw/zinc/69/19/29/664691929.db2.gz QAYMHHNTMKMGBN-NFAWXSAZSA-N 1 0 386.330 2.869 20 0 GFADRO C[C@@H]([NH2+]CCC1(CS(C)(=O)=O)CC1)c1nc(Br)ccc1F ZINC000926676268 664695100 /nfs/dbraw/zinc/69/51/00/664695100.db2.gz MFCUQDLDEHJTJW-SNVBAGLBSA-N 1 0 379.295 2.849 20 0 GFADRO CO[C@H]1C[C@@H](C[NH2+][C@H](C)c2cccc(Br)n2)N(c2ccncn2)C1 ZINC000926826331 664697450 /nfs/dbraw/zinc/69/74/50/664697450.db2.gz FORDPDHLUYHHPB-RDBSUJKOSA-N 1 0 392.301 2.579 20 0 GFADRO C[C@@H](CC(=O)Nc1cccnc1Cl)[NH2+]Cc1cc(C(F)(F)F)nn1C ZINC000926930920 664699240 /nfs/dbraw/zinc/69/92/40/664699240.db2.gz HJHGTHHBJIWXFR-VIFPVBQESA-N 1 0 375.782 2.994 20 0 GFADRO O=S1(=O)CC[C@H]([NH2+]C[C@@H]2C=C[C@H]3C[C@@H]2CO3)c2cc(Br)ccc21 ZINC000926938839 664699264 /nfs/dbraw/zinc/69/92/64/664699264.db2.gz YBNYEZMCIQTCGD-LMWOUKEDSA-N 1 0 398.322 2.848 20 0 GFADRO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]C[C@H]1C[C@@H]2COC[C@@H]2O1 ZINC000926945316 664699371 /nfs/dbraw/zinc/69/93/71/664699371.db2.gz NNOBIIIWQQJHDK-BHTHQVBYSA-N 1 0 383.286 2.560 20 0 GFADRO Brc1cccc([C@H]([NH2+]C[C@H]2C[C@@H]3COC[C@@H]3O2)[C@@H]2CCOC2)c1 ZINC000926944048 664699396 /nfs/dbraw/zinc/69/93/96/664699396.db2.gz YBEOBLAKIJLIQO-XQZMSQOBSA-N 1 0 382.298 2.920 20 0 GFADRO C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]CC(C)(C)CS(C)(=O)=O ZINC000926953856 664699479 /nfs/dbraw/zinc/69/94/79/664699479.db2.gz OKQWQOAHVYFVQL-AWEZNQCLSA-N 1 0 388.961 2.737 20 0 GFADRO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CC1CC2(C1)OCCO2 ZINC000927006816 664702056 /nfs/dbraw/zinc/70/20/56/664702056.db2.gz WWVXPWORKMDCNQ-GFCCVEGCSA-N 1 0 383.286 2.909 20 0 GFADRO Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)[NH2+]C[C@@H](O)CS(C)(=O)=O ZINC000927035315 664702853 /nfs/dbraw/zinc/70/28/53/664702853.db2.gz VELQTHYPCRSBIY-IINYFYTJSA-N 1 0 388.942 2.828 20 0 GFADRO Brc1ccc([C@@H]([NH2+]CCO[C@@H]2CCOC2)c2cncnc2)cc1 ZINC000927079448 664703158 /nfs/dbraw/zinc/70/31/58/664703158.db2.gz DCJYFOSIZVCHOF-IAGOWNOFSA-N 1 0 378.270 2.724 20 0 GFADRO CN(C)c1cc[nH+]c(CNC(=O)c2cc3c(cc2Br)OCO3)c1 ZINC000927690257 664713852 /nfs/dbraw/zinc/71/38/52/664713852.db2.gz BMQINCYMSOLBTA-UHFFFAOYSA-N 1 0 378.226 2.569 20 0 GFADRO CN(C)c1cc[nH+]c(CNC(=O)c2cnn(C(C)(C)C)c2Br)c1 ZINC000927693933 664714052 /nfs/dbraw/zinc/71/40/52/664714052.db2.gz AMAIROPJFQPXIC-UHFFFAOYSA-N 1 0 380.290 2.792 20 0 GFADRO CC(C)(C)OC(=O)NC1CC[NH+](CCNC(=O)/C=C\C=C(Cl)Cl)CC1 ZINC000927845446 664716666 /nfs/dbraw/zinc/71/66/66/664716666.db2.gz VYOFSYLKKBSOBV-XQRVVYSFSA-N 1 0 392.327 2.967 20 0 GFADRO [NH3+][C@@H]1CN(C(=O)C(=O)Nc2ccc(Cl)cc2Cl)CC[C@H]1C(F)(F)F ZINC000927847756 664716670 /nfs/dbraw/zinc/71/66/70/664716670.db2.gz MEFDNUSTYRISPD-PSASIEDQSA-N 1 0 384.185 2.670 20 0 GFADRO [NH3+]CC[C@H]1CCN(C(=O)C(=O)Nc2cccnc2-c2ccc(Cl)s2)C1 ZINC000927885866 664717316 /nfs/dbraw/zinc/71/73/16/664717316.db2.gz DSBCGRHWGKSCPE-NSHDSACASA-N 1 0 378.885 2.599 20 0 GFADRO CC(C)c1cc(Br)ccc1NC(=O)C(=O)N1CC[C@@H](CC[NH3+])C1 ZINC000927888934 664717359 /nfs/dbraw/zinc/71/73/59/664717359.db2.gz ZXXAOCGLKYLQJH-GFCCVEGCSA-N 1 0 382.302 2.708 20 0 GFADRO O=C(Nc1nc(-c2cccs2)cs1)C(=O)N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000927925578 664717926 /nfs/dbraw/zinc/71/79/26/664717926.db2.gz SWGLTOXOWYCEHA-QGZVFWFLSA-N 1 0 376.507 2.555 20 0 GFADRO C[N@@H+]1CC[C@@H]1CNC(=O)Cc1csc(-c2cc(Br)cs2)n1 ZINC000928564899 664735253 /nfs/dbraw/zinc/73/52/53/664735253.db2.gz GUZWGLRMLZFQBK-LLVKDONJSA-N 1 0 386.340 2.997 20 0 GFADRO C[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000928570822 664735371 /nfs/dbraw/zinc/73/53/71/664735371.db2.gz WNKJUSDXPQPAQL-KGLIPLIRSA-N 1 0 384.307 2.666 20 0 GFADRO COc1ncc(C(=O)N[C@@H](CC[NH+](C)C)c2cccnc2)cc1Br ZINC000928828656 664740539 /nfs/dbraw/zinc/74/05/39/664740539.db2.gz BTHCOKLKQFOUIK-HNNXBMFYSA-N 1 0 393.285 2.671 20 0 GFADRO C[NH+](C)CC[C@H](NC(=O)c1cc(O)cc(Br)c1)c1cccnc1 ZINC000928832737 664740658 /nfs/dbraw/zinc/74/06/58/664740658.db2.gz XDGFPDYOSGSOHK-INIZCTEOSA-N 1 0 378.270 2.973 20 0 GFADRO O=C(Nc1ccc(Br)cc1F)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000929173466 664747779 /nfs/dbraw/zinc/74/77/79/664747779.db2.gz QOZDDOQKYJQUJA-HUUCEWRRSA-N 1 0 386.265 2.651 20 0 GFADRO Cn1c(C(=O)NC2CC[NH+](C3CC3)CC2)cc2cc(Br)cnc21 ZINC000929617785 664754837 /nfs/dbraw/zinc/75/48/37/664754837.db2.gz DMYJDFWDXMLQND-UHFFFAOYSA-N 1 0 377.286 2.692 20 0 GFADRO C[C@H]1C[NH+](CCCNC(=O)c2cc(Br)cnc2C2CC2)C[C@H](C)O1 ZINC000929631145 664755121 /nfs/dbraw/zinc/75/51/21/664755121.db2.gz OHWOLZKECAMBAS-STQMWFEESA-N 1 0 396.329 2.951 20 0 GFADRO CC[N@H+](C[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C1)[C@H](C)CS(=O)(=O)CC ZINC000929640034 664755388 /nfs/dbraw/zinc/75/53/88/664755388.db2.gz FYLGFIKYVSVKAF-OAGGEKHMSA-N 1 0 376.563 2.825 20 0 GFADRO C[NH+]1CCN(c2ccccc2NC(=O)c2cc(=O)[nH]cc2Br)CC1 ZINC000929695197 664756221 /nfs/dbraw/zinc/75/62/21/664756221.db2.gz MTQJPWNCIBKHCH-UHFFFAOYSA-N 1 0 391.269 2.554 20 0 GFADRO CC1(c2ccc(Br)cc2)CC[NH+](C[C@H](O)C2(O)CCOCC2)CC1 ZINC000930320556 664766982 /nfs/dbraw/zinc/76/69/82/664766982.db2.gz ZCXSRCMCFNKYMU-KRWDZBQOSA-N 1 0 398.341 2.705 20 0 GFADRO CC1(c2ccc(Br)cc2)CC[NH+](C[C@@H](O)C[C@@]2(O)CCOC2)CC1 ZINC000930320591 664767050 /nfs/dbraw/zinc/76/70/50/664767050.db2.gz ZQVPXEPWFOVJBD-HKUYNNGSSA-N 1 0 398.341 2.705 20 0 GFADRO Cc1cccc(CN2CC[NH+]([C@H]3CCNC(=O)CC3)CC2)c1Br ZINC000930657076 664775373 /nfs/dbraw/zinc/77/53/73/664775373.db2.gz LVTQFJYTVKLKAU-MRXNPFEDSA-N 1 0 380.330 2.544 20 0 GFADRO COC(=O)c1ccc(Br)c(C[NH2+][C@@H](C)C2(OC)CCOCC2)c1 ZINC000930755643 664777713 /nfs/dbraw/zinc/77/77/13/664777713.db2.gz JKLLOUJDUHVJMR-LBPRGKRZSA-N 1 0 386.286 2.909 20 0 GFADRO C[C@@H]1CC[C@@H](C(N)=O)[C@H](C)[N@@H+]1CCC(=O)Nc1ccccc1Br ZINC000930910605 664780773 /nfs/dbraw/zinc/78/07/73/664780773.db2.gz ZIQHVIKCEARMAC-FRRDWIJNSA-N 1 0 382.302 2.752 20 0 GFADRO O[C@@H](CCC1(O)CCC1)C[NH+]1CCN(c2ccc(Br)cc2)CC1 ZINC000930995056 664782572 /nfs/dbraw/zinc/78/25/72/664782572.db2.gz ZSKGFSMSMFOFAQ-KRWDZBQOSA-N 1 0 383.330 2.627 20 0 GFADRO COC(=O)c1c(Br)ccc(NC(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)c1C ZINC000931081226 664784962 /nfs/dbraw/zinc/78/49/62/664784962.db2.gz PIDHEGFFPYKIFJ-TXEJJXNPSA-N 1 0 396.285 2.569 20 0 GFADRO COc1ccc(NC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2C)c(I)c1 ZINC000931089557 664785425 /nfs/dbraw/zinc/78/54/25/664785425.db2.gz WVKKQCVKBSPREB-BXKDBHETSA-N 1 0 389.237 2.514 20 0 GFADRO C[C@H](NC(=O)CN1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1)c1ccc(Br)cc1 ZINC000931302642 664790964 /nfs/dbraw/zinc/79/09/64/664790964.db2.gz AXZNQICBHYLPDI-GDIGMMSISA-N 1 0 394.357 2.900 20 0 GFADRO Cc1ccc(NC(=O)CN2C[C@]3(C)C[N@@H+](C)C[C@]3(C)C2)c(Br)c1 ZINC000931312049 664791098 /nfs/dbraw/zinc/79/10/98/664791098.db2.gz UCWHYYCDGABWTM-HDICACEKSA-N 1 0 380.330 2.970 20 0 GFADRO C[C@H](C(=O)Nc1ccc(Br)cc1)N1CCc2[nH+]ccc(N)c2C1 ZINC000931514352 664797095 /nfs/dbraw/zinc/79/70/95/664797095.db2.gz OWPBQTDUAWZRTD-LLVKDONJSA-N 1 0 375.270 2.812 20 0 GFADRO Cc1c(Br)nccc1NC(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000931548375 664798045 /nfs/dbraw/zinc/79/80/45/664798045.db2.gz GXIPHTAFMWGOSQ-OLZOCXBDSA-N 1 0 385.331 2.854 20 0 GFADRO Cc1csc([C@H](NC(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@@H]23)C(F)(F)F)n1 ZINC000931581137 664799751 /nfs/dbraw/zinc/79/97/51/664799751.db2.gz RYANOHQMXYMTPP-WOPDTQHZSA-N 1 0 394.488 2.934 20 0 GFADRO COCCC[NH+]1CCC(NC(=O)C(F)(F)c2cnc(Cl)c(C)c2)CC1 ZINC000931627843 664800956 /nfs/dbraw/zinc/80/09/56/664800956.db2.gz IKOWULHOEPAYLG-UHFFFAOYSA-N 1 0 375.847 2.752 20 0 GFADRO O=C(Nc1ncc(C2CCOCC2)s1)N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000931630885 664801049 /nfs/dbraw/zinc/80/10/49/664801049.db2.gz ZRKXGACLMPZTJD-UONOGXRCSA-N 1 0 382.555 2.738 20 0 GFADRO O=C(c1ncc(Br)cn1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000931873559 664806663 /nfs/dbraw/zinc/80/66/63/664806663.db2.gz QPVJTCUZTQYVQA-AWEZNQCLSA-N 1 0 381.318 2.967 20 0 GFADRO Cn1c(C(=O)N2CCCC[C@H]2C[NH+](C)C)cc2cc(Br)cnc21 ZINC000931905747 664807106 /nfs/dbraw/zinc/80/71/06/664807106.db2.gz KGEYCEUDTBRSFC-AWEZNQCLSA-N 1 0 379.302 2.892 20 0 GFADRO O=C(Nc1ccn(C2CCSCC2)n1)N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000932104730 664810191 /nfs/dbraw/zinc/81/01/91/664810191.db2.gz BABUMMUADZNTFU-LSDHHAIUSA-N 1 0 381.571 2.653 20 0 GFADRO COCC[N@@H+]1CCC[C@H](NC(=O)c2cc(Br)cnc2C2CC2)C1 ZINC000932151565 664811421 /nfs/dbraw/zinc/81/14/21/664811421.db2.gz ZHEGYUWDSYGOEO-AWEZNQCLSA-N 1 0 382.302 2.562 20 0 GFADRO Cn1nccc1[C@H]1CCC[N@@H+]1C[C@@H](O)COc1ccc(Br)cc1 ZINC000932275079 664817992 /nfs/dbraw/zinc/81/79/92/664817992.db2.gz LZEIFIMRDNXAMH-RHSMWYFYSA-N 1 0 380.286 2.759 20 0 GFADRO CN(C(=O)c1cc2ccc(Br)cc2c(=O)o1)[C@@H]1C[NH+]2CCC1CC2 ZINC000932538889 664824939 /nfs/dbraw/zinc/82/49/39/664824939.db2.gz LAXAZDMATNUSAA-OAHLLOKOSA-N 1 0 391.265 2.722 20 0 GFADRO CC[NH+]1CCN([C@@H](C)CNC(=O)c2cc(F)cc(Br)c2C)CC1 ZINC000932700849 664832172 /nfs/dbraw/zinc/83/21/72/664832172.db2.gz BPLVJKNJYOAJGP-LBPRGKRZSA-N 1 0 386.309 2.652 20 0 GFADRO CC[NH+]1CCN([C@@H](C)CNC(=O)C/C=C\c2ccc(Br)cc2)CC1 ZINC000932704626 664832426 /nfs/dbraw/zinc/83/24/26/664832426.db2.gz VZFGVDDSGKVVSG-AWFCHZOYSA-N 1 0 394.357 2.995 20 0 GFADRO C[NH+](C)C[C@@H]1CCN(C(=O)c2cc(Br)cnc2Br)C1 ZINC000932795277 664839174 /nfs/dbraw/zinc/83/91/74/664839174.db2.gz JRAIHXQJWFWAJC-VIFPVBQESA-N 1 0 391.107 2.630 20 0 GFADRO COc1ncc(NC(=O)N2CC[C@H]([NH+]3CCCC3)C2)c(C)c1Br ZINC000932942000 664843570 /nfs/dbraw/zinc/84/35/70/664843570.db2.gz CAJWDWDNOMGPPW-LBPRGKRZSA-N 1 0 383.290 2.863 20 0 GFADRO Cc1csc(C[C@H]2CC[N@@H+](Cc3ccc(S(=O)(=O)N(C)C)cc3)C2)n1 ZINC000933130847 664850534 /nfs/dbraw/zinc/85/05/34/664850534.db2.gz UNXWDZXGEXKDCH-MRXNPFEDSA-N 1 0 379.551 2.766 20 0 GFADRO CN(CCCC[NH+](C)C)C(=O)c1cc2ccc(Br)cc2c(=O)o1 ZINC000933215146 664852878 /nfs/dbraw/zinc/85/28/78/664852878.db2.gz YZOXUSOGBAFGLZ-UHFFFAOYSA-N 1 0 381.270 2.969 20 0 GFADRO O=C(c1cc(Br)cn2ncnc12)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000933262123 664853736 /nfs/dbraw/zinc/85/37/36/664853736.db2.gz MFZQHTIREBEMRR-CQSZACIVSA-N 1 0 392.301 2.582 20 0 GFADRO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)c1cc2cc(Br)cnc2n1C ZINC000933294995 664855680 /nfs/dbraw/zinc/85/56/80/664855680.db2.gz UVELQLPICBRZNH-HNNXBMFYSA-N 1 0 379.302 2.748 20 0 GFADRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1cc(Br)c2nccnc2c1 ZINC000933433290 664863550 /nfs/dbraw/zinc/86/35/50/664863550.db2.gz CYMVVTARYKTTPV-XHDPSFHLSA-N 1 0 377.286 2.805 20 0 GFADRO C[C@@](CO)(Cc1ccc(Br)cc1)[NH2+]C[C@H]1CC2(CCC2)C(=O)O1 ZINC000933438843 664864264 /nfs/dbraw/zinc/86/42/64/664864264.db2.gz GJZAPTULQAARPG-WBVHZDCISA-N 1 0 382.298 2.818 20 0 GFADRO CC(C)S(=O)(=O)CCC[NH2+][C@@](C)(CO)Cc1ccc(Br)cc1 ZINC000933438449 664864307 /nfs/dbraw/zinc/86/43/07/664864307.db2.gz XJWJVPONLWJHRI-MRXNPFEDSA-N 1 0 392.359 2.546 20 0 GFADRO O=C1NCCN1CC1CC[NH+](CCOc2cccc(Br)c2)CC1 ZINC000933592240 664869891 /nfs/dbraw/zinc/86/98/91/664869891.db2.gz YMZAOBHHEKPTQH-UHFFFAOYSA-N 1 0 382.302 2.565 20 0 GFADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2cnn3cccc(Br)c23)C1 ZINC000933779161 664877828 /nfs/dbraw/zinc/87/78/28/664877828.db2.gz LDEFDUFVEOUXOZ-ZDUSSCGKSA-N 1 0 379.302 2.901 20 0 GFADRO COCCOc1ccc(NC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2C)cc1Br ZINC000933991961 664886019 /nfs/dbraw/zinc/88/60/19/664886019.db2.gz VDOVROICJHMCLW-BXUZGUMPSA-N 1 0 386.290 2.688 20 0 GFADRO Cc1c(Br)ccc(F)c1C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000934222371 664892790 /nfs/dbraw/zinc/89/27/90/664892790.db2.gz LBNDRTGVTPXXNF-CYBMUJFWSA-N 1 0 385.277 2.691 20 0 GFADRO Cc1c(Br)cncc1NC(=O)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000934252556 664894048 /nfs/dbraw/zinc/89/40/48/664894048.db2.gz LYTZXHWLUZSQAA-UHFFFAOYSA-N 1 0 398.349 2.642 20 0 GFADRO Cc1cc(NC(=O)c2ccc(Br)[nH]c2=O)n(C2CC[NH+](C)CC2)n1 ZINC000934283781 664897925 /nfs/dbraw/zinc/89/79/25/664897925.db2.gz LDPIPVSPZUYZMT-UHFFFAOYSA-N 1 0 394.273 2.574 20 0 GFADRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)Nc3c(Br)cnn3C3CC3)C2)C1 ZINC000934367805 664901515 /nfs/dbraw/zinc/90/15/15/664901515.db2.gz RRTFOVNSYCJUSF-MRXNPFEDSA-N 1 0 382.306 2.930 20 0 GFADRO COC(=O)c1ccc(C[NH2+][C@@H]2CCOC23CCOCC3)c(Br)c1 ZINC000934400878 664905665 /nfs/dbraw/zinc/90/56/65/664905665.db2.gz FARRFIUKONSFDZ-OAHLLOKOSA-N 1 0 384.270 2.663 20 0 GFADRO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[NH2+][C@H]1CCOC12CCOCC2 ZINC000934410852 664906244 /nfs/dbraw/zinc/90/62/44/664906244.db2.gz RZVHUCIENAUQBV-INIZCTEOSA-N 1 0 387.307 2.880 20 0 GFADRO C[C@@H](NC(=O)C[NH2+][C@@H]1CCOC12CCOCC2)c1ccc(Br)cc1 ZINC000934411203 664906393 /nfs/dbraw/zinc/90/63/93/664906393.db2.gz WDWXEEVTWXUNFZ-CZUORRHYSA-N 1 0 397.313 2.554 20 0 GFADRO C[C@](CO)([NH2+]C[C@H](O)C[C@@H](O)c1ccccc1)c1cccc(Br)c1 ZINC000934493198 664908386 /nfs/dbraw/zinc/90/83/86/664908386.db2.gz JLUDUEKBQCHAIV-GUDVDZBRSA-N 1 0 394.309 2.731 20 0 GFADRO CC[C@@H](Cc1ccccc1Br)NC(=O)COC1CC[NH+](C)CC1 ZINC000934670635 664914549 /nfs/dbraw/zinc/91/45/49/664914549.db2.gz QXQNSJJEKQYNBS-HNNXBMFYSA-N 1 0 383.330 2.997 20 0 GFADRO CN(C)[S@](C)(=O)=NCC1CC[NH+](C[C@H](O)c2ccc(F)cc2Cl)CC1 ZINC000934751473 664918398 /nfs/dbraw/zinc/91/83/98/664918398.db2.gz JPOIGLXTCRTNCR-SSOJOUAXSA-N 1 0 391.940 2.799 20 0 GFADRO CCOP(=O)(OCC)[C@@H](O)C[N@H+]1C[C@@H](C)N(CC(F)(F)F)[C@@H](C)C1 ZINC000934791495 664922421 /nfs/dbraw/zinc/92/24/21/664922421.db2.gz SUADUBPXYSIWFE-FRRDWIJNSA-N 1 0 376.356 2.528 20 0 GFADRO Cc1nccn1CCC[NH2+][C@@H](CO)c1ccccc1I ZINC000934827328 664925059 /nfs/dbraw/zinc/92/50/59/664925059.db2.gz RGTDNMVPNOIGQQ-HNNXBMFYSA-N 1 0 385.249 2.509 20 0 GFADRO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)c1cc(=O)[nH]cc1Br ZINC000935227871 664947116 /nfs/dbraw/zinc/94/71/16/664947116.db2.gz RCEYHVHYIUGTGQ-UHFFFAOYSA-N 1 0 391.269 2.591 20 0 GFADRO Cc1ccc2[nH]c(C(=O)NC3(CCO)CC[NH+](C)CC3)cc2c1Br ZINC000935270207 664949646 /nfs/dbraw/zinc/94/96/46/664949646.db2.gz SBJBZMMGQSIPPN-UHFFFAOYSA-N 1 0 394.313 2.815 20 0 GFADRO C[NH+]1CCC(C)(CNC(=O)c2cc(Br)c3nccnc3c2)CC1 ZINC000935295064 664951364 /nfs/dbraw/zinc/95/13/64/664951364.db2.gz FQMPEEGUQGZPIH-UHFFFAOYSA-N 1 0 377.286 2.854 20 0 GFADRO C[C@@H](NC(=O)c1cc(=O)[nH]cc1Br)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000935316032 664953539 /nfs/dbraw/zinc/95/35/39/664953539.db2.gz OUOMCVHYZDYISW-NEPJUHHUSA-N 1 0 382.302 2.933 20 0 GFADRO CS[C@@H]1CN(C(=O)Cc2c[nH]c3cnc(Cl)cc23)C[C@H]1[NH+]1CCCC1 ZINC000935365792 664956700 /nfs/dbraw/zinc/95/67/00/664956700.db2.gz BFSZMYHDQJFOPO-HZPDHXFCSA-N 1 0 378.929 2.797 20 0 GFADRO Cc1c(Br)cc(F)cc1C(=O)N[C@@H](C)CC[NH+]1CCN(C)CC1 ZINC000935444808 664962217 /nfs/dbraw/zinc/96/22/17/664962217.db2.gz CNUCCIXWFDKOHY-LBPRGKRZSA-N 1 0 386.309 2.652 20 0 GFADRO COC(=O)c1c(Br)ccc(NC(=O)COC2CC[NH+](C)CC2)c1C ZINC000935633155 664975018 /nfs/dbraw/zinc/97/50/18/664975018.db2.gz UYDOITSDIDAJCH-UHFFFAOYSA-N 1 0 399.285 2.593 20 0 GFADRO C[C@@](O)(C(=O)NC1CC([NH+]2CCCCC2)C1)c1ccc(F)c(Br)c1 ZINC000935761040 664987154 /nfs/dbraw/zinc/98/71/54/664987154.db2.gz WNJMDEFMXMZPCI-JRSKDTKFSA-N 1 0 399.304 2.929 20 0 GFADRO CC[NH+](CC)CC[C@@H](CO)NC(=O)c1c(C)c(Br)ccc1F ZINC000935779605 664988384 /nfs/dbraw/zinc/98/83/84/664988384.db2.gz FQRLKFRWUQCTCI-LBPRGKRZSA-N 1 0 375.282 2.719 20 0 GFADRO C[NH+]1CCC(OCC(=O)N[C@@H](CCO)c2ccc(Cl)c(Cl)c2)CC1 ZINC000935938112 665000006 /nfs/dbraw/zinc/00/00/06/665000006.db2.gz IGTSJWNVDQIYIK-INIZCTEOSA-N 1 0 375.296 2.644 20 0 GFADRO CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCN1C(=O)c1ccsc1Cl ZINC000984948415 665019328 /nfs/dbraw/zinc/01/93/28/665019328.db2.gz YSLKVVRRFQVARN-RJZRQDKASA-N 1 0 383.945 2.851 20 0 GFADRO C[N@H+](CC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1csc(Cl)c1)C2)C1CCC1 ZINC000996385399 665030658 /nfs/dbraw/zinc/03/06/58/665030658.db2.gz JEWAIOKQSMKYFV-ILXRZTDVSA-N 1 0 381.929 2.748 20 0 GFADRO C[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)c2ccc(Cl)s2)CC1 ZINC000997886572 665037838 /nfs/dbraw/zinc/03/78/38/665037838.db2.gz LVGPXKBPVQNAHE-RDBSUJKOSA-N 1 0 381.929 2.605 20 0 GFADRO C[C@@H]1CC[N@H+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)c2ccsc2Cl)C1 ZINC001000484790 665046947 /nfs/dbraw/zinc/04/69/47/665046947.db2.gz PCOUAAIOVQOTNB-UXOAXIEHSA-N 1 0 381.929 2.605 20 0 GFADRO C[N@@H+]1CCCC[C@@H]1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccsc1Cl)C2 ZINC001002617510 665056182 /nfs/dbraw/zinc/05/61/82/665056182.db2.gz QMNJWVBRJJEEKB-REBRKWNGSA-N 1 0 381.929 2.748 20 0 GFADRO C[N@@H+]1CCCC[C@@H]1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(Cl)s1)C2 ZINC001006395914 665070189 /nfs/dbraw/zinc/07/01/89/665070189.db2.gz NCADEYJFYVNLFL-YIYPIFLZSA-N 1 0 381.929 2.748 20 0 GFADRO C[NH+](C)C1(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ccc(Cl)s2)C3)CCC1 ZINC001006406196 665070604 /nfs/dbraw/zinc/07/06/04/665070604.db2.gz WWYRYTVDHLQYHK-UPJWGTAASA-N 1 0 381.929 2.748 20 0 GFADRO Cc1cccc(I)c1C(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000120194877 677396029 /nfs/dbraw/zinc/39/60/29/677396029.db2.gz ANKBPFCOQNGSIY-NEPJUHHUSA-N 1 0 384.261 2.955 20 0 GFADRO CCS(=O)(=O)CC[NH2+][C@@H](C)C[C@@H]1CCCCCN1C(=O)OC(C)(C)C ZINC000160495249 677404242 /nfs/dbraw/zinc/40/42/42/677404242.db2.gz MTTNHSICIZXBTR-HOTGVXAUSA-N 1 0 376.563 2.969 20 0 GFADRO Cn1ncc(Br)c1C[NH2+][C@@H]1CCC[C@H]1CNC(=O)OC(C)(C)C ZINC000381928077 677406514 /nfs/dbraw/zinc/40/65/14/677406514.db2.gz QRJMCNBFLNYHDL-WCQYABFASA-N 1 0 387.322 2.966 20 0 GFADRO COc1c(Br)cc(Cl)cc1S(=O)(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000382530391 677406676 /nfs/dbraw/zinc/40/66/76/677406676.db2.gz WBBUYSBRLWRPHR-WCBMZHEXSA-N 1 0 397.722 2.517 20 0 GFADRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NC(C)(C)CCC[NH+](C)C ZINC000387180617 677407740 /nfs/dbraw/zinc/40/77/40/677407740.db2.gz VDBIWGNUIOSSTD-UHFFFAOYSA-N 1 0 377.894 2.955 20 0 GFADRO Cc1cccc(CC[NH2+]CCS(=O)(=O)c2cccc(Br)c2)n1 ZINC000579223204 677673370 /nfs/dbraw/zinc/67/33/70/677673370.db2.gz SEZFQCNGBURASR-UHFFFAOYSA-N 1 0 383.311 2.759 20 0 GFADRO O=C1CN(C(F)(F)c2cc(Cl)c(Cl)nc2Cl)CC2(CC[NH2+]CC2)N1 ZINC001164392870 718809517 /nfs/dbraw/zinc/80/95/17/718809517.db2.gz PLRWDKMOUVDTLQ-UHFFFAOYSA-N 1 0 399.656 2.645 20 0 GFADRO FC(F)(c1ccc2c(Cl)nc(Cl)nc2c1)N1CCN2CC[NH2+]C[C@H]2C1 ZINC001164399308 718835343 /nfs/dbraw/zinc/83/53/43/718835343.db2.gz SIGHTSFUOYEOPD-NSHDSACASA-N 1 0 388.249 2.575 20 0 GFADRO Fc1cccc(-c2cc(C(F)(F)N3CCOCC34C[NH2+]C4)c(Cl)nn2)c1 ZINC001164405508 718861126 /nfs/dbraw/zinc/86/11/26/718861126.db2.gz SXPYOOVTRPSHJV-UHFFFAOYSA-N 1 0 384.789 2.660 20 0 GFADRO CN(C)c1cc(C(F)(F)N2C[C@H]3c4ccccc4C[NH2+][C@@H]3C2)nc(Cl)n1 ZINC001164429423 718946567 /nfs/dbraw/zinc/94/65/67/718946567.db2.gz PDYLJDHVDFAFOT-UONOGXRCSA-N 1 0 379.842 2.817 20 0 GFADRO COC(=O)c1cnc(Cl)cc1C(F)(F)N1C[C@@H](CF)[C@H](C2([NH3+])CC2)C1 ZINC001164624190 719121185 /nfs/dbraw/zinc/12/11/85/719121185.db2.gz UQHVTNMDXRHYBQ-BXKDBHETSA-N 1 0 377.794 2.580 20 0 GFADRO CC(C)N(C)Cc1nn(-c2cc(OCc3ccccc3)cnn2)c2c1CC[NH2+]C2 ZINC001164683466 719627548 /nfs/dbraw/zinc/62/75/48/719627548.db2.gz SNTCBNIZXBCDGK-UHFFFAOYSA-N 1 0 392.507 2.727 20 0 GFADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@H]3OCCN(c4ncccn4)[C@H]3C2)nc1 ZINC001164691498 719801321 /nfs/dbraw/zinc/80/13/21/719801321.db2.gz IGIATOVLEUGWSW-HSALFYBXSA-N 1 0 394.523 2.513 20 0 GFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(Cl)ccc1C(=O)OC)C2 ZINC001164814811 720069922 /nfs/dbraw/zinc/06/99/22/720069922.db2.gz WVNPSYRKGFAGRO-QRWLVFNGSA-N 1 0 393.915 2.706 20 0 GFADRO CCOc1cnc(N2CCC3(C[C@H](COC)[N@H+](Cc4ccccn4)C3)CC2)nc1 ZINC001164718112 720109170 /nfs/dbraw/zinc/10/91/70/720109170.db2.gz RVCRCAZORBWDLS-LJQANCHMSA-N 1 0 397.523 2.778 20 0 GFADRO CCOC(=O)c1cc(C)cnc1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COC ZINC001164807053 720117633 /nfs/dbraw/zinc/11/76/33/720117633.db2.gz AWRJLFXWXQPCHW-GCJKJVERSA-N 1 0 387.524 2.751 20 0 GFADRO CCOC(=O)c1cc(C)cnc1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@H]2COC ZINC001164807052 720117981 /nfs/dbraw/zinc/11/79/81/720117981.db2.gz AWRJLFXWXQPCHW-AVRDEDQJSA-N 1 0 387.524 2.751 20 0 GFADRO CCOc1c(Cl)ncnc1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@H]2COC ZINC001164816196 720124980 /nfs/dbraw/zinc/12/49/80/720124980.db2.gz YIAFZRKDYFZLDU-KXBFYZLASA-N 1 0 380.920 2.713 20 0 GFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ncnc3cc(Cl)cnc31)C2 ZINC001164816509 720129304 /nfs/dbraw/zinc/12/93/04/720129304.db2.gz ZSVPTDZHLGTXIL-FOIQADDNSA-N 1 0 387.915 2.863 20 0 GFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ncnc3cc(Cl)cnc31)C2 ZINC001164816510 720129408 /nfs/dbraw/zinc/12/94/08/720129408.db2.gz ZSVPTDZHLGTXIL-MGPUTAFESA-N 1 0 387.915 2.863 20 0 GFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ccnc(-c3cccnc3)n1)C2 ZINC001164815877 720129727 /nfs/dbraw/zinc/12/97/27/720129727.db2.gz WSLLIMHDPRCXMT-DENIHFKCSA-N 1 0 379.508 2.723 20 0 GFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ncc(C)cc1/C=C/C(=O)OC)C2 ZINC001164818754 720150654 /nfs/dbraw/zinc/15/06/54/720150654.db2.gz UMPJKUYMDGVIBF-ZBVIIRNFSA-N 1 0 399.535 2.761 20 0 GFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nnc(OC)c3ccccc31)C2 ZINC001164817727 720164064 /nfs/dbraw/zinc/16/40/64/720164064.db2.gz PXPJDMCXACNCGK-HTAPYJJXSA-N 1 0 382.508 2.823 20 0 GFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ccnc(-c3nccs3)n1)C2 ZINC001164813994 720202438 /nfs/dbraw/zinc/20/24/38/720202438.db2.gz RNDSAOZWLMTMBU-UZLBHIALSA-N 1 0 385.537 2.785 20 0 GFADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1nc(Cl)cnc1Cl)CCC2 ZINC001164812863 720219716 /nfs/dbraw/zinc/21/97/16/720219716.db2.gz JTORNIUFICDQIP-UHFFFAOYSA-N 1 0 397.310 2.591 20 0 GFADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2ncnc3ccccc32)CC1 ZINC001164826759 720294795 /nfs/dbraw/zinc/29/47/95/720294795.db2.gz WKAHFSZJDYUXNG-VQTJNVASSA-N 1 0 379.508 2.541 20 0 GFADRO Cc1c[nH]c2nc(N3CC[C@@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)ccc12 ZINC001164825121 720308576 /nfs/dbraw/zinc/30/85/76/720308576.db2.gz SLHBACHNNHSCHB-RBUKOAKNSA-N 1 0 381.524 2.783 20 0 GFADRO Cc1cccc2ncc(N3CC[C@@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)nc12 ZINC001164820711 720313706 /nfs/dbraw/zinc/31/37/06/720313706.db2.gz IDESMEHBEPJIIL-WOJBJXKFSA-N 1 0 393.535 2.850 20 0 GFADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2nccc3scnc32)CC1 ZINC001164833935 720321901 /nfs/dbraw/zinc/32/19/01/720321901.db2.gz YARWFPXBTGMKLR-HOTGVXAUSA-N 1 0 385.537 2.603 20 0 GFADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2ncc(F)c3cc[nH]c32)CC1 ZINC001164829439 720331621 /nfs/dbraw/zinc/33/16/21/720331621.db2.gz MAEQKCJFMCXOBL-MSOLQXFVSA-N 1 0 385.487 2.614 20 0 GFADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2ccc(C(C)(C)C)nn2)CC1 ZINC001164821567 720340126 /nfs/dbraw/zinc/34/01/26/720340126.db2.gz BFIJGJKLSKVURB-MSOLQXFVSA-N 1 0 385.556 2.686 20 0 GFADRO Fc1ncccc1-c1ccnc(N2CC[C@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)n1 ZINC001164732494 720413158 /nfs/dbraw/zinc/41/31/58/720413158.db2.gz NTQKPBGYMFDUHL-RBUKOAKNSA-N 1 0 376.439 2.926 20 0 GFADRO COC(=O)c1ccc(C)nc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164837859 720515035 /nfs/dbraw/zinc/51/50/35/720515035.db2.gz QBCDMEVDPVKOPM-CMKODMSKSA-N 1 0 397.523 2.751 20 0 GFADRO CC(C)[N@H+]1[C@@H]2CCN(c3ncnc4ncccc43)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164836036 720516587 /nfs/dbraw/zinc/51/65/87/720516587.db2.gz LVXOIHCAIIOWGB-JENIJYKNSA-N 1 0 377.496 2.599 20 0 GFADRO Cc1nc2[nH]ccc2c(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)n1 ZINC001164835248 720520517 /nfs/dbraw/zinc/52/05/17/720520517.db2.gz JGPOQAWZWAHHAD-ZIFCJYIRSA-N 1 0 379.512 2.841 20 0 GFADRO COC(=O)c1ccnc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c1C ZINC001164832346 720523078 /nfs/dbraw/zinc/52/30/78/720523078.db2.gz ABNXEXLZPAKEHU-NLWGTHIKSA-N 1 0 397.523 2.751 20 0 GFADRO C[NH+](C)C[C@H]1Cn2ccnc2CN(c2nccc(Oc3ccc(F)cc3)n2)C1 ZINC001164735141 720527911 /nfs/dbraw/zinc/52/79/11/720527911.db2.gz UXPHWJNPNCHDAZ-HNNXBMFYSA-N 1 0 382.443 2.803 20 0 GFADRO CC(C)[N@H+]1[C@@H]2CCN(c3ncnc4c3CCCC4)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164840854 720534224 /nfs/dbraw/zinc/53/42/24/720534224.db2.gz UGXVLBCUILPCQJ-BBTUJRGHSA-N 1 0 380.540 2.930 20 0 GFADRO CC(C)[N@H+]1[C@@H]2CCN(c3nnc(Cl)cc3F)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164843040 720546520 /nfs/dbraw/zinc/54/65/20/720546520.db2.gz ZOOPJSVCZOJAGU-OFQRWUPVSA-N 1 0 378.883 2.843 20 0 GFADRO CCOc1cc(Cl)nc(N2CCc3ncc(C[NH+]4CCCC4)n3CC2)c1 ZINC001164730733 720563845 /nfs/dbraw/zinc/56/38/45/720563845.db2.gz ZEKWINQCSZYXME-UHFFFAOYSA-N 1 0 375.904 2.989 20 0 GFADRO CCOc1ccc2ncnc(N3CCc4ncc(C[NH+]5CCCC5)n4CC3)c2c1 ZINC001164728030 720568741 /nfs/dbraw/zinc/56/87/41/720568741.db2.gz HOFINMWPDWQOSF-UHFFFAOYSA-N 1 0 392.507 2.884 20 0 GFADRO CCN(CC)c1cc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)ncn1 ZINC001164839288 720572680 /nfs/dbraw/zinc/57/26/80/720572680.db2.gz PUOYNSNTLSNIIH-HSALFYBXSA-N 1 0 397.571 2.897 20 0 GFADRO Cc1cc(N2CCc3ncc(C[NH+]4CCCC4)n3CC2)nc(-c2ccco2)n1 ZINC001164736348 720586672 /nfs/dbraw/zinc/58/66/72/720586672.db2.gz JUKWZLKEGWADNC-UHFFFAOYSA-N 1 0 378.480 2.900 20 0 GFADRO c1ncn(C[C@@H]2C[C@H]3CN(c4cc(C5CC5)ccn4)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164740027 720833421 /nfs/dbraw/zinc/83/34/21/720833421.db2.gz BOYGIKYPRYLGFE-PCCBWWKXSA-N 1 0 378.524 2.930 20 0 GFADRO CSc1cccnc1N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164743606 720833699 /nfs/dbraw/zinc/83/36/99/720833699.db2.gz JPRSXNFSJYZZLW-KZNAEPCWSA-N 1 0 384.553 2.774 20 0 GFADRO COCC[N@@H+]1CCO[C@@H]2CN(C(F)(F)c3cc(C)nc(Cl)c3)CC[C@@H]2C1 ZINC001164858285 720834821 /nfs/dbraw/zinc/83/48/21/720834821.db2.gz ZOWJIOLUWQICCB-GDBMZVCRSA-N 1 0 389.874 2.762 20 0 GFADRO COCC[N@@H+]1CCO[C@H]2CN(C(F)(F)c3ccnc(Cl)c3F)CC[C@@H]2C1 ZINC001164850859 720835594 /nfs/dbraw/zinc/83/55/94/720835594.db2.gz FNFCTBVSRQQXDM-OCCSQVGLSA-N 1 0 393.837 2.593 20 0 GFADRO COCC[N@@H+]1CCO[C@H]2CN(c3nc(Cl)nc4ccc(F)cc43)CC[C@@H]2C1 ZINC001164855515 720838132 /nfs/dbraw/zinc/83/81/32/720838132.db2.gz UEJMKRQGKUCRPT-DYVFJYSZSA-N 1 0 394.878 2.596 20 0 GFADRO Cc1cc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc(C2CC2)n1 ZINC001164744015 720851639 /nfs/dbraw/zinc/85/16/39/720851639.db2.gz BFOOYJRGMPKVDN-VAMGGRTRSA-N 1 0 393.539 2.633 20 0 GFADRO CCc1cc(CC)nc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164748674 720859239 /nfs/dbraw/zinc/85/92/39/720859239.db2.gz LNUMQKZLWJFGPW-JRGCBEDISA-N 1 0 395.555 2.572 20 0 GFADRO COCC[N@@H+]1CCO[C@H]2CN(c3nc(Cl)nc4cccc(C)c43)CC[C@H]2C1 ZINC001164860256 720866960 /nfs/dbraw/zinc/86/69/60/720866960.db2.gz WCVFBXZNXGQZKJ-RDJZCZTQSA-N 1 0 390.915 2.765 20 0 GFADRO COCC[N@@H+]1CCO[C@@H]2CN(c3ccc(-c4cc(C)ccc4C)nn3)CC[C@H]2C1 ZINC001164863665 720880012 /nfs/dbraw/zinc/88/00/12/720880012.db2.gz TYJZDPTZAMCAPO-SIKLNZKXSA-N 1 0 396.535 2.934 20 0 GFADRO COCC[N@@H+]1CCO[C@H]2CN(c3nnc(Cl)c4ccc(F)cc43)CC[C@@H]2C1 ZINC001164865251 720883950 /nfs/dbraw/zinc/88/39/50/720883950.db2.gz ZDWAMEKQHVYLCZ-DYVFJYSZSA-N 1 0 394.878 2.596 20 0 GFADRO COC(=O)c1cc(F)c(C)nc1N1CCn2c(C[N@H+](C)C(C)C)cnc2[C@H]1C ZINC001164857858 720962043 /nfs/dbraw/zinc/96/20/43/720962043.db2.gz HNVYFLADXPVQPV-CQSZACIVSA-N 1 0 389.475 2.934 20 0 GFADRO CN(C)C(=O)NC[C@@H]1OC[C@@H]2CC[N@@H+](C(C)(C)c3ccnc(Cl)c3)C[C@@H]21 ZINC001164757584 721000992 /nfs/dbraw/zinc/00/09/92/721000992.db2.gz PHSOSWBJRGSCKD-BPUTZDHNSA-N 1 0 380.920 2.578 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(C(F)(F)c4cccc(Cl)n4)C[C@@H]3C2)cn1 ZINC001164761575 721075195 /nfs/dbraw/zinc/07/51/95/721075195.db2.gz CAFBIECHUNTOPN-GJZGRUSLSA-N 1 0 381.858 2.972 20 0 GFADRO COc1ccc2c(c1)ncnc2N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164866659 721088888 /nfs/dbraw/zinc/08/88/88/721088888.db2.gz UPOSBOBHCWNXQC-IEBWSBKVSA-N 1 0 391.475 2.513 20 0 GFADRO Cc1nc(Cl)cc(C(F)(F)N2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)n1 ZINC001164761559 721091561 /nfs/dbraw/zinc/09/15/61/721091561.db2.gz BTXFSPRKLLGYES-LSDHHAIUSA-N 1 0 396.873 2.675 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4nc(Cl)nc5c4CCCC5)C[C@H]3C2)cn1 ZINC001164772132 721093395 /nfs/dbraw/zinc/09/33/95/721093395.db2.gz UGAZDKMNLFMWDV-JKSUJKDBSA-N 1 0 386.931 2.701 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(C(F)(F)Oc4ccc(Cl)nc4)C[C@H]3C2)cn1 ZINC001164765354 721103635 /nfs/dbraw/zinc/10/36/35/721103635.db2.gz JAKIWCOGTCZEII-LSDHHAIUSA-N 1 0 397.857 2.852 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4cc(Cl)nc5ncccc45)C[C@H]3C2)cn1 ZINC001164764068 721118303 /nfs/dbraw/zinc/11/83/03/721118303.db2.gz GSDSTEUGWWUXOV-HZPDHXFCSA-N 1 0 382.899 2.975 20 0 GFADRO CC(C)COc1cccc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164879841 721124712 /nfs/dbraw/zinc/12/47/12/721124712.db2.gz ULXJEPCBFXALHC-PMACEKPBSA-N 1 0 382.508 2.991 20 0 GFADRO CCOc1ccc(Cl)nc1N1C[C@@H]2CC[N@H+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001164773695 721151729 /nfs/dbraw/zinc/15/17/29/721151729.db2.gz YQOFUMHJNJOGFJ-HOTGVXAUSA-N 1 0 375.904 2.826 20 0 GFADRO CSc1cnc(Cl)c(N2C[C@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)n1 ZINC001164770107 721184583 /nfs/dbraw/zinc/18/45/83/721184583.db2.gz NBUMZPRWDPOHDQ-ZIAGYGMSSA-N 1 0 378.933 2.544 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(C(F)(F)c4cnc(Cl)c(N)c4)C[C@@H]3C2)cn1 ZINC001164766754 721188638 /nfs/dbraw/zinc/18/86/38/721188638.db2.gz JEBISBICOALNPG-KGLIPLIRSA-N 1 0 396.873 2.554 20 0 GFADRO Cc1nc(-c2ccncc2)cc(N2C[C@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)n1 ZINC001164765787 721215045 /nfs/dbraw/zinc/21/50/45/721215045.db2.gz IGGJHJSGHQWELP-WOJBJXKFSA-N 1 0 389.507 2.539 20 0 GFADRO CCN1C(=O)[C@]2(CC[C@@H]3CN(c4ccc(C[N@H+](C)C5CC5)cn4)C[C@@H]32)N=C1C ZINC001164872527 721233290 /nfs/dbraw/zinc/23/32/90/721233290.db2.gz MBZPTRHSRSWCGA-ZWCUEREDSA-N 1 0 381.524 2.541 20 0 GFADRO O=C(NCc1ccccc1)c1cccnc1N1CC2(C1)CC[N@H+](CC1CC1)C2 ZINC001164768985 721281507 /nfs/dbraw/zinc/28/15/07/721281507.db2.gz MSXXSFSPTYBMRQ-UHFFFAOYSA-N 1 0 376.504 2.934 20 0 GFADRO Cc1cc(Cl)cc(N2CC[C@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)n1 ZINC001164886816 721384280 /nfs/dbraw/zinc/38/42/80/721384280.db2.gz GMBZWYKYXITSEW-ICSRJNTNSA-N 1 0 378.948 2.809 20 0 GFADRO Cc1nc(N2CC[C@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)nc(C)c1Cl ZINC001164891998 721419584 /nfs/dbraw/zinc/41/95/84/721419584.db2.gz XVGOKCWXQAVXAW-XLIONFOSSA-N 1 0 393.963 2.512 20 0 GFADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4cc(C(C)(C)C)ncn4)C3)O2)CC1 ZINC001164894433 721433876 /nfs/dbraw/zinc/43/38/76/721433876.db2.gz MPTWPYGKSSNAGN-GCJKJVERSA-N 1 0 387.572 2.540 20 0 GFADRO CCCCc1cc(N2CC[C@@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)ncn1 ZINC001164894962 721444302 /nfs/dbraw/zinc/44/43/02/721444302.db2.gz NVLCPBRKFHHPDD-RBBKRZOGSA-N 1 0 387.572 2.585 20 0 GFADRO CCc1nccnc1N1CCC2(C[C@@H](COCC3CC3)[N@H+](CCOC)C2)CC1 ZINC001164783550 721458337 /nfs/dbraw/zinc/45/83/37/721458337.db2.gz DJWFCOGOJJECKS-IBGZPJMESA-N 1 0 388.556 2.773 20 0 GFADRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ccc3c(n1)NC(=O)CO3)CC2 ZINC001164791592 721496500 /nfs/dbraw/zinc/49/65/00/721496500.db2.gz DXSTWANHHIEIJX-UHFFFAOYSA-N 1 0 393.491 2.689 20 0 GFADRO C[NH+]1CCN(c2cccc(N3C[C@@H]4CCC[C@@]4(COc4ccccn4)C3)n2)CC1 ZINC001164794602 721506582 /nfs/dbraw/zinc/50/65/82/721506582.db2.gz ATLDECQLKWLFBH-CVDCTZTESA-N 1 0 393.535 2.914 20 0 GFADRO COc1nc(Cl)cc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)n1 ZINC001164901718 721512138 /nfs/dbraw/zinc/51/21/38/721512138.db2.gz YDZRUUQSFNVHCT-ZFWWWQNUSA-N 1 0 378.835 2.620 20 0 GFADRO Fc1cccc(O[C@@H]2C[C@@H]3CN(c4nc(Cl)nc5c4COC5)CC[N@@H+]3C2)c1 ZINC001164901045 721524536 /nfs/dbraw/zinc/52/45/36/721524536.db2.gz WEUGUKYFLJQNCG-UKRRQHHQSA-N 1 0 390.846 2.641 20 0 GFADRO COc1cc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)nc(SC)n1 ZINC001164905242 721533614 /nfs/dbraw/zinc/53/36/14/721533614.db2.gz HESWQCIAGQDMMR-HOCLYGCPSA-N 1 0 390.484 2.688 20 0 GFADRO CCN(CC)c1cc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)ncn1 ZINC001164910964 721545064 /nfs/dbraw/zinc/54/50/64/721545064.db2.gz UVGYUGWNJRKVMA-IEBWSBKVSA-N 1 0 385.487 2.804 20 0 GFADRO Fc1cccc(O[C@@H]2C[C@@H]3CN(c4cncc(N5CCCCC5)n4)CC[N@@H+]3C2)c1 ZINC001164902655 721545724 /nfs/dbraw/zinc/54/57/24/721545724.db2.gz AUSHPFJKQXAWMY-UYAOXDASSA-N 1 0 397.498 2.948 20 0 GFADRO Fc1cccc(O[C@H]2C[C@@H]3CN(c4cc(-c5nnco5)ccn4)CC[N@@H+]3C2)c1 ZINC001164907556 721558244 /nfs/dbraw/zinc/55/82/44/721558244.db2.gz OLKQQUMPTBFNGB-AEFFLSMTSA-N 1 0 381.411 2.613 20 0 GFADRO Fc1cccc(O[C@@H]2C[C@@H]3CN([C@@H](F)Oc4cncc(Cl)n4)CC[N@@H+]3C2)c1 ZINC001164906476 721563803 /nfs/dbraw/zinc/56/38/03/721563803.db2.gz JOLABTYNYBRGQU-DDUZABMNSA-N 1 0 396.825 2.739 20 0 GFADRO COc1ccc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)nn1 ZINC001164907956 721585408 /nfs/dbraw/zinc/58/54/08/721585408.db2.gz XECPZTMAWOGLJI-SFHVURJKSA-N 1 0 375.423 2.618 20 0 GFADRO COc1cc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)nc(C)n1 ZINC001164907432 721702004 /nfs/dbraw/zinc/70/20/04/721702004.db2.gz SMWHSIFLLLRIAL-IBGZPJMESA-N 1 0 389.450 2.926 20 0 GFADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2cc(Cl)nc3c2CCC3)CC1 ZINC001165010655 721734159 /nfs/dbraw/zinc/73/41/59/721734159.db2.gz IZAXJJNTILKHFT-UHFFFAOYSA-N 1 0 376.932 2.747 20 0 GFADRO C[C@@H]1C(=O)Nc2ncnc(N3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)c21 ZINC001165025303 721815440 /nfs/dbraw/zinc/81/54/40/721815440.db2.gz MFRDWTXVIQTUHP-ONIAQPFYSA-N 1 0 392.507 2.664 20 0 GFADRO C[C@@H]1C(=O)Nc2ncnc(N3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)c21 ZINC001165025299 721815543 /nfs/dbraw/zinc/81/55/43/721815543.db2.gz MFRDWTXVIQTUHP-CWLKWCNXSA-N 1 0 392.507 2.664 20 0 GFADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cncc(-n4ccnc4)n3)C[C@H]21 ZINC001165024739 721818491 /nfs/dbraw/zinc/81/84/91/721818491.db2.gz KLWTVGULGZTMLF-DFQSSKMNSA-N 1 0 389.507 2.794 20 0 GFADRO COCc1nc(OC)cc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)n1 ZINC001165021535 721830633 /nfs/dbraw/zinc/83/06/33/721830633.db2.gz FYPJLEQSRSTXPS-WDSOQIARSA-N 1 0 397.523 2.764 20 0 GFADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2nc(OC)ncc2F)CC1 ZINC001165021512 721840234 /nfs/dbraw/zinc/84/02/34/721840234.db2.gz NJFZCTYOJLBNRM-UHFFFAOYSA-N 1 0 390.459 2.742 20 0 GFADRO C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2C(F)(F)c1cc2cc[nH]c2c(Cl)n1 ZINC001164922681 721874968 /nfs/dbraw/zinc/87/49/68/721874968.db2.gz HQYNZOJVWDTLSS-KGLIPLIRSA-N 1 0 383.874 2.976 20 0 GFADRO C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2c1ncc(C(=O)OC(C)(C)C)cc1Cl ZINC001164931950 721887067 /nfs/dbraw/zinc/88/70/67/721887067.db2.gz GWTLJIPSKUORBS-IRXDYDNUSA-N 1 0 394.947 2.905 20 0 GFADRO O=S(=O)(c1ccnc(N2CCCC[C@@H]2CC[NH+]2CCCC2)c1)N1CCCC1 ZINC001165049825 721977450 /nfs/dbraw/zinc/97/74/50/721977450.db2.gz SBAYPQVFKRHVAB-GOSISDBHSA-N 1 0 392.569 2.711 20 0 GFADRO C[C@@H]1CC(=O)Nc2ncnc(N3CCC4(CC[N@H+](Cc5cccnc5)C4)CC3)c21 ZINC001164951646 722018286 /nfs/dbraw/zinc/01/82/86/722018286.db2.gz BPKMDVARXQKYBI-MRXNPFEDSA-N 1 0 392.507 2.810 20 0 GFADRO O=C(NCc1cccnc1)[C@@H]1C[C@]12CCN(c1ncccc1C[NH+]1CCCC1)C2 ZINC001164955940 722035146 /nfs/dbraw/zinc/03/51/46/722035146.db2.gz ACNLHLLFNPPUNI-REWPJTCUSA-N 1 0 391.519 2.605 20 0 GFADRO CCOc1ccc(-c2ccc(N3C[C@@H]4C[N@@H+](CC5CC5)C[C@H](C3)O4)nn2)cc1 ZINC001164966577 722076641 /nfs/dbraw/zinc/07/66/41/722076641.db2.gz CCYCPDSIKJDEDU-BGYRXZFFSA-N 1 0 380.492 2.842 20 0 GFADRO Fc1cnc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c(Cl)c1 ZINC001164970885 722110473 /nfs/dbraw/zinc/11/04/73/722110473.db2.gz ALRHELHMYWXWPE-CRAIPNDOSA-N 1 0 376.863 2.996 20 0 GFADRO c1coc(-c2cnc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)cn2)c1 ZINC001164970925 722111790 /nfs/dbraw/zinc/11/17/90/722111790.db2.gz AQTKCLCHLDLYPI-RXVVDRJESA-N 1 0 391.475 2.859 20 0 GFADRO Cc1nc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)nc(C)c1Cl ZINC001164981708 722126708 /nfs/dbraw/zinc/12/67/08/722126708.db2.gz UXGOQMAYYCWNNF-ZWKOTPCHSA-N 1 0 387.915 2.869 20 0 GFADRO CCCc1cc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)nc(C)n1 ZINC001164983339 722130126 /nfs/dbraw/zinc/13/01/26/722130126.db2.gz UKADRKMESVOGGE-CTNGQTDRSA-N 1 0 381.524 2.860 20 0 GFADRO CC(C)Cc1cc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)ncn1 ZINC001164984183 722144911 /nfs/dbraw/zinc/14/49/11/722144911.db2.gz WFDOGCYLANXPHD-CTNGQTDRSA-N 1 0 381.524 2.797 20 0 GFADRO Cc1nc(-n2cncn2)cc(N2CCC[C@@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)n1 ZINC001164998482 722211373 /nfs/dbraw/zinc/21/13/73/722211373.db2.gz VYLBVIISJGDPMT-OAQYLSRUSA-N 1 0 393.470 2.750 20 0 GFADRO O=C1CSc2ncnc(N3CCC[C@]4(CC[N@H+]4Cc4cccc(F)c4)C3)c2N1 ZINC001164996121 722212725 /nfs/dbraw/zinc/21/27/25/722212725.db2.gz LOGMJAUKEKCVDC-FQEVSTJZSA-N 1 0 399.495 2.905 20 0 GFADRO C[NH+](C)CCOCc1ncn2c1CN(c1nc(Cl)cc3[nH]ccc31)CCC2 ZINC001165000462 722251332 /nfs/dbraw/zinc/25/13/32/722251332.db2.gz PVJLYOANUPLLFZ-UHFFFAOYSA-N 1 0 388.903 2.901 20 0 GFADRO Cc1cc2[nH]ccc2c(N2CC[C@]3(C2)CN(c2cccc(F)c2)C(=O)CN3C)[nH+]1 ZINC001165007592 722265364 /nfs/dbraw/zinc/26/53/64/722265364.db2.gz ROWRMHAORLQPKO-QFIPXVFZSA-N 1 0 393.466 2.938 20 0 GFADRO COC(=O)C1(C[NH2+]Cc2ncc(I)s2)CCCCC1 ZINC000330816206 563522193 /nfs/dbraw/zinc/52/21/93/563522193.db2.gz CERXDWWWVXXGKP-UHFFFAOYSA-N 1 0 394.278 2.961 20 0 GFADRO O=C(Nc1ccc(-c2ccc(Br)s2)nn1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000632941051 532651109 /nfs/dbraw/zinc/65/11/09/532651109.db2.gz GFBZVFFOAJZASK-AOOOYVTPSA-N 1 0 394.298 2.936 20 0 GFADRO O=C1c2ccccc2C(=O)N1CCC[NH+]1CCC(c2nnc3ccccn32)CC1 ZINC000067443640 212134670 /nfs/dbraw/zinc/13/46/70/212134670.db2.gz KUPJKZMGZXDJGK-UHFFFAOYSA-N 1 0 389.459 2.595 20 0 GFADRO CC(C)S(=O)(=O)CCC[N@@H+]1C[C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)[C@H]2C1 ZINC000359993023 212130044 /nfs/dbraw/zinc/13/00/44/212130044.db2.gz JJMXZMPZEVCRLH-ULQDDVLXSA-N 1 0 388.574 2.825 20 0 GFADRO Cc1oc(C2CC[NH+](C[C@H](O)CN3CCCC3=O)CC2)nc1-c1ccccc1 ZINC000359872692 212120725 /nfs/dbraw/zinc/12/07/25/212120725.db2.gz KTYQZRLJPRIXBT-IBGZPJMESA-N 1 0 383.492 2.813 20 0 GFADRO O=C(NCc1ccc(-n2ccnc2)nc1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000359909636 212123890 /nfs/dbraw/zinc/12/38/90/212123890.db2.gz PQQIDIUJQKGCAS-HXUWFJFHSA-N 1 0 375.476 2.796 20 0 GFADRO Cc1ccc(S(=O)(=O)N2CCC([NH2+]CC3([C@H](C)CCO)CCC3)CC2)cc1 ZINC000359900924 212123947 /nfs/dbraw/zinc/12/39/47/212123947.db2.gz QSPIBYIKFZINFN-GOSISDBHSA-N 1 0 394.581 2.927 20 0 GFADRO CC(=O)N1CSC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccc(Cl)c1 ZINC000359865231 212120430 /nfs/dbraw/zinc/12/04/30/212120430.db2.gz FWLMSUGLPVSTRA-NXHRZFHOSA-N 1 0 395.956 2.761 20 0 GFADRO CC[N@@H+]1CCC[C@@H](CN(C)C(=O)CC[C@H]2CC[C@H](C)O2)[C@@H]1c1cnn(C)c1 ZINC000328632136 212087179 /nfs/dbraw/zinc/08/71/79/212087179.db2.gz RQCIMJXSOIDBNZ-MHYXUVESSA-N 1 0 376.545 2.999 20 0 GFADRO CC[C@@](C)([NH3+])c1cn(CC(=O)Nc2ccc(Br)cc2Cl)nn1 ZINC000395268627 563530829 /nfs/dbraw/zinc/53/08/29/563530829.db2.gz PGPWHADONPZSQS-CQSZACIVSA-N 1 0 386.681 2.917 20 0 GFADRO Cc1ccc([C@H](CNC(=O)Nc2ccc3c(c2)N(C)C(=O)CO3)[NH+](C)C)cc1 ZINC000097463505 136188325 /nfs/dbraw/zinc/18/83/25/136188325.db2.gz RUACZFHBBVWVOQ-SFHVURJKSA-N 1 0 382.464 2.775 20 0 GFADRO CC[C@@H]([NH2+][C@@H]1CCCN(S(C)(=O)=O)C1)c1cccc(Br)c1 ZINC000400173971 563534156 /nfs/dbraw/zinc/53/41/56/563534156.db2.gz LYHTUOHAJNQKIX-HUUCEWRRSA-N 1 0 375.332 2.914 20 0 GFADRO C[C@H]([NH2+][C@H]1CCCN(S(C)(=O)=O)C1)c1ccc(F)c(Br)c1 ZINC000400155701 563534443 /nfs/dbraw/zinc/53/44/43/563534443.db2.gz DNVPNGHAZIFNOR-JQWIXIFHSA-N 1 0 379.295 2.663 20 0 GFADRO C[NH+](C)CC(C)(C)CNS(=O)(=O)c1cc(F)c(Br)cc1F ZINC000184087443 552327206 /nfs/dbraw/zinc/32/72/06/552327206.db2.gz YTRIPSPITFMZQL-UHFFFAOYSA-N 1 0 385.274 2.593 20 0 GFADRO CC(C)(O)[C@@H]1CCC[N@@H+]1C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000331265713 563542830 /nfs/dbraw/zinc/54/28/30/563542830.db2.gz PPUIGTONXNMOMK-HIFRSBDPSA-N 1 0 376.266 2.563 20 0 GFADRO C[C@@H](NC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)c1ncc(Br)cn1 ZINC000431948734 563571788 /nfs/dbraw/zinc/57/17/88/563571788.db2.gz AIAHVVSDINEZOK-YPMHNXCESA-N 1 0 386.338 2.966 20 0 GFADRO COC(=O)CC[C@@H]([NH3+])C(=O)N(Cc1cc(Br)ccc1F)C(C)C ZINC000288730319 563655350 /nfs/dbraw/zinc/65/53/50/563655350.db2.gz LISDUXFEYHOFQT-CQSZACIVSA-N 1 0 389.265 2.606 20 0 GFADRO C[C@@H](CNS(=O)(=O)c1c(Cl)cc(Br)cc1Cl)[NH+](C)C ZINC000040433077 551134406 /nfs/dbraw/zinc/13/44/06/551134406.db2.gz XSPIDDMOYRRFTH-ZETCQYMHSA-N 1 0 390.130 2.984 20 0 GFADRO CC(C)C[C@H](CNC(=O)C(=O)Nc1ccc(Br)cc1F)[NH+](C)C ZINC000041321710 551135313 /nfs/dbraw/zinc/13/53/13/551135313.db2.gz YNDCRHGZUURAHO-GFCCVEGCSA-N 1 0 388.281 2.619 20 0 GFADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)N(C)Cc2ccccc2Br)C1 ZINC000043822021 551142439 /nfs/dbraw/zinc/14/24/39/551142439.db2.gz NTVFUVKJQHGKOP-INIZCTEOSA-N 1 0 398.345 2.947 20 0 GFADRO COc1ccc(C(=O)N2CCC(C[NH+]3CCOCC3)CC2)cc1Br ZINC000048480992 551156622 /nfs/dbraw/zinc/15/66/22/551156622.db2.gz XZEYWDBCBCIJHE-UHFFFAOYSA-N 1 0 397.313 2.642 20 0 GFADRO O=C(CC[NH+]1CCN(c2ccccn2)CC1)Nc1ccc(Br)cc1 ZINC000051214151 551162834 /nfs/dbraw/zinc/16/28/34/551162834.db2.gz AUFNAXRJMFJAQS-UHFFFAOYSA-N 1 0 389.297 2.995 20 0 GFADRO CCC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCN2C(=O)c2ccc(Cl)s2)C1 ZINC000056986632 551179309 /nfs/dbraw/zinc/17/93/09/551179309.db2.gz BLZILEXHAJDYAQ-KBPBESRZSA-N 1 0 383.945 2.854 20 0 GFADRO CC(C)[NH+]1CCN(C[C@H](O)COc2ccc(Cl)cc2Br)CC1 ZINC000066420842 551187377 /nfs/dbraw/zinc/18/73/77/551187377.db2.gz MWFXFHSVKZTXQX-AWEZNQCLSA-N 1 0 391.737 2.868 20 0 GFADRO C[NH+]1CCN(C[C@H](Nc2ncc(Br)cn2)c2ccccc2)CC1 ZINC000067371735 551188356 /nfs/dbraw/zinc/18/83/56/551188356.db2.gz UQVYZNZPORGPAX-INIZCTEOSA-N 1 0 376.302 2.640 20 0 GFADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N[C@H]1CCSc2ccc(Cl)cc21 ZINC000106522975 551200148 /nfs/dbraw/zinc/20/01/48/551200148.db2.gz VTEQXFBMQPVQAS-BBRMVZONSA-N 1 0 382.961 2.812 20 0 GFADRO Cc1nc(-c2ccc(S(=O)(=O)NC[C@H]3CC[N@@H+](C4CC4)C3)s2)cs1 ZINC000119616917 551217955 /nfs/dbraw/zinc/21/79/55/551217955.db2.gz JBFOHNWOUYQQED-GFCCVEGCSA-N 1 0 383.564 2.943 20 0 GFADRO C[C@H]([NH2+]C[C@]1(C)CCCS1)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000120410037 551220799 /nfs/dbraw/zinc/22/07/99/551220799.db2.gz ZLKJQNRWKIXKCA-YJBOKZPZSA-N 1 0 384.567 2.644 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)c2ccc(Br)cc2-n2cncn2)C1 ZINC000120933298 551223358 /nfs/dbraw/zinc/22/33/58/551223358.db2.gz CIEOBEKBWWDSBC-ZIAGYGMSSA-N 1 0 392.301 2.632 20 0 GFADRO CC1CC[NH+](C2CCC(NC(=O)c3csc(S(C)(=O)=O)c3)CC2)CC1 ZINC000120973228 551223655 /nfs/dbraw/zinc/22/36/55/551223655.db2.gz SMAJABHLMGRUHR-UHFFFAOYSA-N 1 0 384.567 2.925 20 0 GFADRO CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2cccc(C)c2Br)C1 ZINC000121084782 551226723 /nfs/dbraw/zinc/22/67/23/551226723.db2.gz GPFFJMAIVYMIJC-CQSZACIVSA-N 1 0 396.329 2.886 20 0 GFADRO CS(=O)(=O)NCCC[NH2+][C@@H]1CCCc2nc(-c3ccc(F)cc3)sc21 ZINC000121272098 551231066 /nfs/dbraw/zinc/23/10/66/551231066.db2.gz NVGPKMNTHAMOQP-CQSZACIVSA-N 1 0 383.514 2.856 20 0 GFADRO C[C@@H](CNS(=O)(=O)c1sccc1Br)[N@@H+]1CCC[C@@H](C)C1 ZINC000121392197 551233726 /nfs/dbraw/zinc/23/37/26/551233726.db2.gz XMVCNRYLEJJQEV-MNOVXSKESA-N 1 0 381.361 2.909 20 0 GFADRO CN(C(=O)c1ccc(F)c(I)c1)C1CC[NH+](C)CC1 ZINC000121693295 551239849 /nfs/dbraw/zinc/23/98/49/551239849.db2.gz ADIUMCVCUFHDDK-UHFFFAOYSA-N 1 0 376.213 2.597 20 0 GFADRO O=S(=O)(NCC[NH2+]Cc1csc(Br)c1)c1cccs1 ZINC000122269071 551296864 /nfs/dbraw/zinc/29/68/64/551296864.db2.gz SBTHRCRNVMXROL-UHFFFAOYSA-N 1 0 381.342 2.640 20 0 GFADRO C[N@@H+]1CCC[C@H](CNS(=O)(=O)C[C@@H]2CCOC2)[C@@H]1c1cccc(Cl)c1 ZINC000122365878 551297064 /nfs/dbraw/zinc/29/70/64/551297064.db2.gz KDYMEHYNXCYMFE-KYJSFNMBSA-N 1 0 386.945 2.679 20 0 GFADRO C[C@H]1C[C@H](NS(=O)(=O)Cc2ccc(OC(F)(F)F)cc2)C[N@@H+]1C1CC1 ZINC000124117217 551310758 /nfs/dbraw/zinc/31/07/58/551310758.db2.gz PXICMDUSMGROMI-AAEUAGOBSA-N 1 0 378.416 2.630 20 0 GFADRO Cn1cc(Br)cc1C(=O)N(CC[NH+](C)C)Cc1cccc(O)c1 ZINC000124415470 551314085 /nfs/dbraw/zinc/31/40/85/551314085.db2.gz HHWGZDSZQFQJOY-UHFFFAOYSA-N 1 0 380.286 2.697 20 0 GFADRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)Cc1ccccc1I ZINC000124875241 551318350 /nfs/dbraw/zinc/31/83/50/551318350.db2.gz NPOLVFAFNGOZNW-WFASDCNBSA-N 1 0 386.277 2.632 20 0 GFADRO CCOc1cc(Br)c(CC(=O)N2CC[NH2+]C[C@@H]2C)cc1OCC ZINC000125677975 551322698 /nfs/dbraw/zinc/32/26/98/551322698.db2.gz XSJCNYWZFDETMW-LBPRGKRZSA-N 1 0 385.302 2.609 20 0 GFADRO O=C(NCc1ccc(O)c(Br)c1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000126279631 551327534 /nfs/dbraw/zinc/32/75/34/551327534.db2.gz AOFDXQWMASTRSZ-AWEZNQCLSA-N 1 0 382.302 2.925 20 0 GFADRO COc1ccc([C@H](CNC(=O)CSc2nncs2)[NH+]2CCCC2)cc1 ZINC000126707083 551331771 /nfs/dbraw/zinc/33/17/71/551331771.db2.gz OMSLCGIMXINVMT-HNNXBMFYSA-N 1 0 378.523 2.592 20 0 GFADRO COCCC[NH+]1CCC(NC(=O)c2cc(OC)c(Br)s2)CC1 ZINC000126929222 551334808 /nfs/dbraw/zinc/33/48/08/551334808.db2.gz SFEGHCURWZGVFT-UHFFFAOYSA-N 1 0 391.331 2.750 20 0 GFADRO CC[N@H+](C)[C@@H](C(=O)Nc1cc(Br)c(=O)n(C)c1)c1ccccc1 ZINC000126927552 551334835 /nfs/dbraw/zinc/33/48/35/551334835.db2.gz HYTDDYHQKQSGQA-OAHLLOKOSA-N 1 0 378.270 2.779 20 0 GFADRO CC[C@H]([NH2+]CCc1ccc(S(=O)(=O)N2CCCCC2)s1)[C@@H]1CCOC1 ZINC000127257911 551338817 /nfs/dbraw/zinc/33/88/17/551338817.db2.gz RCXGGIRATJAYAV-WBVHZDCISA-N 1 0 386.583 2.870 20 0 GFADRO CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+]CC[S@@](=O)C(C)(C)C)cc1 ZINC000127296854 551339877 /nfs/dbraw/zinc/33/98/77/551339877.db2.gz CSSGJUGLZHMJJF-MYYSRTQBSA-N 1 0 388.599 2.915 20 0 GFADRO O=C(c1csc(I)c1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000127760975 551344364 /nfs/dbraw/zinc/34/43/64/551344364.db2.gz GZHHZCRAZXXFFK-LLVKDONJSA-N 1 0 390.290 2.911 20 0 GFADRO Cc1ccc(CN2CCC[N@H+](CC(=O)N3CCCC3)CC2)c(Br)c1 ZINC000129311173 551355988 /nfs/dbraw/zinc/35/59/88/551355988.db2.gz DEYOPFDSWZWNBM-UHFFFAOYSA-N 1 0 394.357 2.888 20 0 GFADRO COc1cc(Br)c(CN2CC[NH+](C3CCOCC3)CC2)c(OC)c1 ZINC000129740162 551359718 /nfs/dbraw/zinc/35/97/18/551359718.db2.gz RVYPDIYOQMBSSH-UHFFFAOYSA-N 1 0 399.329 2.763 20 0 GFADRO COCCNS(=O)(=O)c1cccc(C[NH2+]Cc2ccc(Cl)cc2C)c1 ZINC000129756227 551359743 /nfs/dbraw/zinc/35/97/43/551359743.db2.gz XEHZTZOTPLDSJI-UHFFFAOYSA-N 1 0 382.913 2.863 20 0 GFADRO C[C@H]([NH2+]Cc1cn2cc(Br)ccc2n1)c1ccc(-n2cnnn2)cc1 ZINC000130097667 551362014 /nfs/dbraw/zinc/36/20/14/551362014.db2.gz AWJCMEZFIUMBHL-LBPRGKRZSA-N 1 0 398.268 2.923 20 0 GFADRO CC[NH+]1CCC(N(C)S(=O)(=O)N(C)Cc2c(F)cccc2Cl)CC1 ZINC000130760626 551368932 /nfs/dbraw/zinc/36/89/32/551368932.db2.gz CISRACVAADCQKX-UHFFFAOYSA-N 1 0 377.913 2.572 20 0 GFADRO CCC(CC)[C@@H](C[NH2+][C@H](C)Cn1cc(Br)cn1)N1CCOCC1 ZINC000131789925 551375849 /nfs/dbraw/zinc/37/58/49/551375849.db2.gz QFCJYVKNSMMRLJ-RHSMWYFYSA-N 1 0 387.366 2.761 20 0 GFADRO C[NH2+][C@H]1CCCN(C(=O)[C@H]2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)C1 ZINC000132814753 551379199 /nfs/dbraw/zinc/37/91/99/551379199.db2.gz NHYPCGIPOSODRO-JKSUJKDBSA-N 1 0 384.307 2.808 20 0 GFADRO O=C(C[C@@H]1CSCC[NH2+]1)Nc1ccc(C(=O)N2CCCCC2)c(Cl)c1 ZINC000132848595 551379792 /nfs/dbraw/zinc/37/97/92/551379792.db2.gz JAVYIXSSCVRGDI-CQSZACIVSA-N 1 0 381.929 3.000 20 0 GFADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)Nc1ccc(Br)c(C)c1 ZINC000133461078 551383300 /nfs/dbraw/zinc/38/33/00/551383300.db2.gz BONIIJXIALCDSD-CABCVRRESA-N 1 0 394.313 2.781 20 0 GFADRO CN1CC[NH+](CCCCNC(=O)[C@@H]2C[C@@H]2c2cccc(Br)c2)CC1 ZINC000149554694 551398849 /nfs/dbraw/zinc/39/88/49/551398849.db2.gz LJWIYRSZPSIUNY-QZTJIDSGSA-N 1 0 394.357 2.696 20 0 GFADRO CC(C)COC[C@@H](O)C[NH2+][C@H](C)CC(=O)Nc1cccc(Br)c1 ZINC000151409739 551412763 /nfs/dbraw/zinc/41/27/63/551412763.db2.gz FBBISSTXGVTFLY-CJNGLKHVSA-N 1 0 387.318 2.789 20 0 GFADRO CC(C)COC[C@H](O)C[NH2+][C@@H](C)CC(=O)Nc1cccc(Br)c1 ZINC000151409566 551412885 /nfs/dbraw/zinc/41/28/85/551412885.db2.gz FBBISSTXGVTFLY-XJKSGUPXSA-N 1 0 387.318 2.789 20 0 GFADRO C[NH+](C)CC1CCC(NS(=O)(=O)c2ccc(Br)s2)CC1 ZINC000151752647 551420461 /nfs/dbraw/zinc/42/04/61/551420461.db2.gz VESDUDKZTJJXKN-UHFFFAOYSA-N 1 0 381.361 2.909 20 0 GFADRO Cc1ccc(I)cc1C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000151783935 551420989 /nfs/dbraw/zinc/42/09/89/551420989.db2.gz LJPHYGKWFDLQFX-AWEZNQCLSA-N 1 0 384.261 2.910 20 0 GFADRO CCS(=O)(=O)NCCC[N@@H+]1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000151856837 551422337 /nfs/dbraw/zinc/42/23/37/551422337.db2.gz GOZKZRUUOPIPSA-LLVKDONJSA-N 1 0 385.477 2.671 20 0 GFADRO COc1ccsc1S(=O)(=O)NC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000152012365 551424817 /nfs/dbraw/zinc/42/48/17/551424817.db2.gz MNNVTAASZOLGQY-GDBMZVCRSA-N 1 0 380.535 2.946 20 0 GFADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)Nc2cc(Cl)ccc2Cl)CC1 ZINC000152061517 551426041 /nfs/dbraw/zinc/42/60/41/551426041.db2.gz QBCMZIKQXDPUPE-HNNXBMFYSA-N 1 0 385.295 2.764 20 0 GFADRO CCNC(=O)N1CC[C@@H]([NH2+]CC2=Cc3cc(Br)ccc3OC2)C1 ZINC000152769345 551439641 /nfs/dbraw/zinc/43/96/41/551439641.db2.gz DMCQFTCMRHWDLO-OAHLLOKOSA-N 1 0 380.286 2.618 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(S(=O)(=O)c2ncn(C)c2Cl)CC1 ZINC000152773841 551439795 /nfs/dbraw/zinc/43/97/95/551439795.db2.gz AJUCNGFGNLDJJR-CQSZACIVSA-N 1 0 388.965 2.739 20 0 GFADRO Cc1ccc(S(=O)(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)cc1Br ZINC000152888299 551441758 /nfs/dbraw/zinc/44/17/58/551441758.db2.gz AUZHVYIVTKUGKB-CJNGLKHVSA-N 1 0 387.343 2.862 20 0 GFADRO COC(=O)N1CCC([NH2+][C@@H](C)CC(=O)Nc2cccc(Br)c2)CC1 ZINC000152965541 551443930 /nfs/dbraw/zinc/44/39/30/551443930.db2.gz RUSXPAOHIYQKCP-LBPRGKRZSA-N 1 0 398.301 2.987 20 0 GFADRO COc1ccccc1[C@@H](C[NH2+][C@H](C)Cn1cc(Br)cn1)N(C)C ZINC000153305320 551449984 /nfs/dbraw/zinc/44/99/84/551449984.db2.gz ZXUNFRQBDUZCRZ-CZUORRHYSA-N 1 0 381.318 2.935 20 0 GFADRO CN(C(=O)c1ccc(-n2cc(Br)cn2)cc1)[C@@H]1CCC[N@H+](C)C1 ZINC000153716348 551458885 /nfs/dbraw/zinc/45/88/85/551458885.db2.gz WTDJDLZPIXXUNI-MRXNPFEDSA-N 1 0 377.286 2.801 20 0 GFADRO CCS(=O)(=O)C[C@@H](C)N(C)Cc1cc(Br)cc2c1OCC2 ZINC000153906416 551462638 /nfs/dbraw/zinc/46/26/38/551462638.db2.gz BMASBQZFCCPNKE-LLVKDONJSA-N 1 0 376.316 2.639 20 0 GFADRO COc1ccc(Br)cc1C(=O)CCC(=O)N1C[C@@H](C)[NH2+][C@H](C)C1 ZINC000154156374 551468732 /nfs/dbraw/zinc/46/87/32/551468732.db2.gz AVAJRJZFPCFSSZ-VXGBXAGGSA-N 1 0 383.286 2.629 20 0 GFADRO C[C@H](COc1ccc2cc(Br)ccc2c1)[NH2+]C[C@H](O)CN(C)C ZINC000154270312 551470779 /nfs/dbraw/zinc/47/07/79/551470779.db2.gz UCHQHMKTQWSRAT-DYVFJYSZSA-N 1 0 381.314 2.882 20 0 GFADRO Cc1ccc(SCC(F)(F)F)c(NC(=O)C(=O)NCCC[NH+](C)C)c1 ZINC000154424251 551474813 /nfs/dbraw/zinc/47/48/13/551474813.db2.gz BOHVAFQEWPAXHP-UHFFFAOYSA-N 1 0 377.432 2.656 20 0 GFADRO CC[C@H](CO)[NH+]1CCN(Cc2cccc(Br)c2OC(F)F)CC1 ZINC000154518338 551476869 /nfs/dbraw/zinc/47/68/69/551476869.db2.gz AYSPQBUKNSNADK-CYBMUJFWSA-N 1 0 393.272 2.939 20 0 GFADRO CC[NH+]1CCN([C@H](C)CNC(=O)[C@H](C)Cc2ccc(Br)cc2)CC1 ZINC000154695097 551480821 /nfs/dbraw/zinc/48/08/21/551480821.db2.gz DVAFZXWUMDDQQB-HZPDHXFCSA-N 1 0 396.373 2.770 20 0 GFADRO CCN(CC)S(=O)(=O)CC[NH2+][C@@H]1CCc2cc(Br)ccc21 ZINC000154754026 551482248 /nfs/dbraw/zinc/48/22/48/551482248.db2.gz APQRMLYSSDXJMQ-OAHLLOKOSA-N 1 0 375.332 2.698 20 0 GFADRO C[C@@H](NC(=O)c1ccc(Br)cc1)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000155064254 551490003 /nfs/dbraw/zinc/49/00/03/551490003.db2.gz CPQJLAZSRRRFEJ-OLZOCXBDSA-N 1 0 398.345 2.660 20 0 GFADRO O=C(C[C@H]1CCC[NH2+]1)N1CCC(C(=O)Nc2ccccc2Br)CC1 ZINC000155123930 551492251 /nfs/dbraw/zinc/49/22/51/551492251.db2.gz ZBPRGMJSIWETJK-CQSZACIVSA-N 1 0 394.313 2.768 20 0 GFADRO Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)CN(C)[C@@H]1CCSC1 ZINC000155268802 551495863 /nfs/dbraw/zinc/49/58/63/551495863.db2.gz MDEHSBDXPXDUHS-QGZVFWFLSA-N 1 0 379.595 2.920 20 0 GFADRO CCOC(=O)C[C@@H](NC(=O)C[C@@H]1CCC[NH2+]1)c1ccc(Br)cc1 ZINC000155445786 551499818 /nfs/dbraw/zinc/49/98/18/551499818.db2.gz BHVVAHJBWIESBY-LSDHHAIUSA-N 1 0 383.286 2.702 20 0 GFADRO C[NH+](C)C1CCN(C(=O)c2c(F)cccc2I)CC1 ZINC000157090314 551533327 /nfs/dbraw/zinc/53/33/27/551533327.db2.gz QUQRHUARWPWFJW-UHFFFAOYSA-N 1 0 376.213 2.597 20 0 GFADRO O=C(NC[C@H](O)c1c(Cl)cccc1Cl)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC000155497276 551500766 /nfs/dbraw/zinc/50/07/66/551500766.db2.gz OGKOPHAXBWKYBM-CVEARBPZSA-N 1 0 387.307 2.786 20 0 GFADRO CNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(OCc2ccc(Cl)c(Cl)c2)CC1 ZINC000155934064 551511290 /nfs/dbraw/zinc/51/12/90/551511290.db2.gz WRTUFOCGXKHZPH-LLVKDONJSA-N 1 0 388.295 2.819 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(Cl)cc1Br ZINC000156097412 551514971 /nfs/dbraw/zinc/51/49/71/551514971.db2.gz BQTRFUJXQXSJDR-LLVKDONJSA-N 1 0 388.693 2.642 20 0 GFADRO O[C@@H](C[NH2+]C1(c2cccc(Br)c2)CCC1)COC[C@H]1CCCO1 ZINC000156239015 551518426 /nfs/dbraw/zinc/51/84/26/551518426.db2.gz YJIVOJMIJXJSAG-DLBZAZTESA-N 1 0 384.314 2.974 20 0 GFADRO CCC[N@H+](C)C[C@H]1CCN(S(=O)(=O)c2cc(F)ccc2Br)C1 ZINC000156465475 551523335 /nfs/dbraw/zinc/52/33/35/551523335.db2.gz DRWWWUVBQBWKKK-GFCCVEGCSA-N 1 0 393.322 2.941 20 0 GFADRO CSc1nsc(NC(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)n1 ZINC000156833218 551528568 /nfs/dbraw/zinc/52/85/68/551528568.db2.gz ZHYGVTHFBYJIGS-AWEZNQCLSA-N 1 0 377.539 2.946 20 0 GFADRO C[C@H]1CCC[N@@H+]1CC(=O)N1CCN(Cc2ccc(Br)s2)CC1 ZINC000157082185 551533374 /nfs/dbraw/zinc/53/33/74/551533374.db2.gz CQQOJHZKUPAUPC-ZDUSSCGKSA-N 1 0 386.359 2.639 20 0 GFADRO CC(C)(C)[N@H+](CCS(C)(=O)=O)C[C@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC000157306599 551536568 /nfs/dbraw/zinc/53/65/68/551536568.db2.gz GBXFPGPCURULLU-OAHLLOKOSA-N 1 0 381.460 2.754 20 0 GFADRO [NH3+][C@@H]1CCCN(C(=O)c2cccn2-c2cccc(I)c2)C1 ZINC000158350142 551550346 /nfs/dbraw/zinc/55/03/46/551550346.db2.gz DJNZAEOVKYWYHU-CYBMUJFWSA-N 1 0 395.244 2.645 20 0 GFADRO CC[C@H]([NH2+]CCNS(=O)(=O)c1cccnc1)c1ccc(Br)cc1 ZINC000158464772 551552288 /nfs/dbraw/zinc/55/22/88/551552288.db2.gz LWABWTDZNKUMDY-INIZCTEOSA-N 1 0 398.326 2.863 20 0 GFADRO [NH3+][C@H]1CCC[C@@H](NC(=O)Nc2cc(F)c(F)cc2I)C1 ZINC000415245056 563763593 /nfs/dbraw/zinc/76/35/93/563763593.db2.gz ZEFUIQQUKTTYOR-JGVFFNPUSA-N 1 0 395.191 2.961 20 0 GFADRO COC(=O)c1cc(Cl)ccc1S(=O)(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000158992910 551559816 /nfs/dbraw/zinc/55/98/16/551559816.db2.gz FTUGUSDVOBJHFF-UHFFFAOYSA-N 1 0 388.917 2.525 20 0 GFADRO C[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2CCN(c3cc(Cl)cc(Cl)c3)C2=O)C1 ZINC000159090131 551560939 /nfs/dbraw/zinc/56/09/39/551560939.db2.gz BOOYJJKBRGDHIN-WBMJQRKESA-N 1 0 384.307 2.804 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H](NC(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CCCC2)C1 ZINC000161989083 551601502 /nfs/dbraw/zinc/60/15/02/551601502.db2.gz ZTPKOFJBCFIBAC-HUUCEWRRSA-N 1 0 384.929 2.813 20 0 GFADRO O=S(=O)(NCCC[NH+]1CCCCC1)c1ccc(Br)cc1F ZINC000161984038 551602073 /nfs/dbraw/zinc/60/20/73/551602073.db2.gz KEPBVCILCUGUAU-UHFFFAOYSA-N 1 0 379.295 2.743 20 0 GFADRO CC(=O)Nc1ccc(CC[NH2+][C@H](C(N)=O)c2cccc(Br)c2)cc1 ZINC000162074085 551603231 /nfs/dbraw/zinc/60/32/31/551603231.db2.gz KNWWYSHHACGHRH-KRWDZBQOSA-N 1 0 390.281 2.766 20 0 GFADRO C[C@H]([NH2+]CCNS(=O)(=O)Cc1ccon1)c1ccc(Cl)cc1Cl ZINC000162384596 551607769 /nfs/dbraw/zinc/60/77/69/551607769.db2.gz HUBRWUFAOYBKRP-JTQLQIEISA-N 1 0 378.281 2.752 20 0 GFADRO CC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2cc(F)c(Br)cc2F)C1 ZINC000162844538 551612957 /nfs/dbraw/zinc/61/29/57/551612957.db2.gz NTSMFKFPRDUCEY-JTQLQIEISA-N 1 0 397.285 2.690 20 0 GFADRO CC[N@@H+]1CC[C@@H](CN[C@@H](C)c2ccc(S(=O)(=O)C(F)F)c(OC)c2)C1 ZINC000163273532 551618283 /nfs/dbraw/zinc/61/82/83/551618283.db2.gz NIEQUMAPKIGEFJ-STQMWFEESA-N 1 0 376.469 2.684 20 0 GFADRO C[NH+](C)CCN(Cc1cccs1)C(=O)N[C@H]1CCO[C@]2(CCSC2)C1 ZINC000163304522 551618526 /nfs/dbraw/zinc/61/85/26/551618526.db2.gz ZTGLFMZTVCOZSK-MAUKXSAKSA-N 1 0 383.583 2.876 20 0 GFADRO O=C(NCC1CC[NH+](Cc2ccccc2Cl)CC1)C1(O)CCSCC1 ZINC000163676401 551621090 /nfs/dbraw/zinc/62/10/90/551621090.db2.gz OHOFYCBVMXEFFJ-UHFFFAOYSA-N 1 0 382.957 2.926 20 0 GFADRO CC(C)COC[C@H](O)C[NH+]1CCN(Cc2ccc(Br)cc2)CC1 ZINC000163936143 551623028 /nfs/dbraw/zinc/62/30/28/551623028.db2.gz PLMNUNHAGLRWGS-GOSISDBHSA-N 1 0 385.346 2.600 20 0 GFADRO C[C@H]([NH2+]CCN1CCN(c2ncccn2)CC1)c1ccc(Br)s1 ZINC000164235302 551624699 /nfs/dbraw/zinc/62/46/99/551624699.db2.gz RVDVYPDYBZNGEZ-ZDUSSCGKSA-N 1 0 396.358 2.773 20 0 GFADRO C[C@H]([NH2+]CCN1CCN(c2ncccn2)CC1)c1ccccc1Br ZINC000164236139 551624793 /nfs/dbraw/zinc/62/47/93/551624793.db2.gz FVICUNADGYAHNF-HNNXBMFYSA-N 1 0 390.329 2.712 20 0 GFADRO CSCCC[NH+]1CCN(CC(=O)Nc2ccc(Br)cc2)CC1 ZINC000165158986 551628950 /nfs/dbraw/zinc/62/89/50/551628950.db2.gz VAHPALHZKFDFSN-UHFFFAOYSA-N 1 0 386.359 2.758 20 0 GFADRO CC[C@H](c1ccc(Br)cc1)N1CCN(C(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000167616500 551633559 /nfs/dbraw/zinc/63/35/59/551633559.db2.gz CKILZNSYJOSGPT-DLBZAZTESA-N 1 0 380.330 2.796 20 0 GFADRO C[C@@H](CC[NH2+]Cc1ncc(Br)cc1Br)[S@@](C)=O ZINC000168621753 551634853 /nfs/dbraw/zinc/63/48/53/551634853.db2.gz YZPLPFLDNUZJSK-QPFGOUBPSA-N 1 0 384.137 2.853 20 0 GFADRO Cc1c(Br)cccc1NC(=O)C(=O)NC[C@@H](C)[NH+]1CCC(C)CC1 ZINC000170705877 551637945 /nfs/dbraw/zinc/63/79/45/551637945.db2.gz OCNBXDOMNLIISD-CYBMUJFWSA-N 1 0 396.329 2.933 20 0 GFADRO NC(=O)CC[C@H]1CCCN(CC(=O)Nc2nc(-c3cccs3)cs2)C1 ZINC000170732195 551638067 /nfs/dbraw/zinc/63/80/67/551638067.db2.gz XUWQNMBCONGSMB-GFCCVEGCSA-N 1 0 378.523 2.788 20 0 GFADRO CN(Cc1cc(Br)cs1)C(=O)CN1CC[C@@H]([NH+]2CCCC2)C1 ZINC000170740634 551638591 /nfs/dbraw/zinc/63/85/91/551638591.db2.gz VASGPKXWCJIEAH-CQSZACIVSA-N 1 0 386.359 2.639 20 0 GFADRO Cc1c(Br)cccc1NC(=O)C(=O)NCC[NH+]1CCC(C)CC1 ZINC000171224793 551650368 /nfs/dbraw/zinc/65/03/68/551650368.db2.gz BRNKAVNPGRUEEW-UHFFFAOYSA-N 1 0 382.302 2.544 20 0 GFADRO O=C(CNC(=O)c1ccc(Cl)c(Cl)c1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000171481207 551656753 /nfs/dbraw/zinc/65/67/53/551656753.db2.gz PNKSVQWPTLXQAZ-CQSZACIVSA-N 1 0 384.307 2.810 20 0 GFADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CCc2cc(Br)cs2)C1 ZINC000171734832 551662185 /nfs/dbraw/zinc/66/21/85/551662185.db2.gz RNPZLZKSKBYOPT-CQSZACIVSA-N 1 0 389.359 2.916 20 0 GFADRO O=S(=O)(C[C@@H]1CCOC1)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000171965962 551668083 /nfs/dbraw/zinc/66/80/83/551668083.db2.gz GRROKBPPPNWWET-MRXNPFEDSA-N 1 0 386.945 2.508 20 0 GFADRO CCc1nn(C)c(Cl)c1CN[C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000172063847 551669687 /nfs/dbraw/zinc/66/96/87/551669687.db2.gz DDMBKVHZAKLCQK-GFCCVEGCSA-N 1 0 384.933 2.737 20 0 GFADRO O=C(NCCC[NH+]1CCC(O)CC1)[C@@H]1C[C@@H]1c1cccc(Br)c1 ZINC000172313251 551676108 /nfs/dbraw/zinc/67/61/08/551676108.db2.gz WPXWZPJAKOJSCR-IAGOWNOFSA-N 1 0 381.314 2.516 20 0 GFADRO CC(C)C[NH+]1CCN(C(=O)c2cc(=O)[nH]c3ccc(Br)cc32)CC1 ZINC000172327538 551676528 /nfs/dbraw/zinc/67/65/28/551676528.db2.gz WKWHYXZGGWASHS-UHFFFAOYSA-N 1 0 392.297 2.704 20 0 GFADRO [NH3+][C@@H]1CCC[C@H](CNC(=O)C(=O)Nc2cc(Cl)ccc2Br)C1 ZINC000415805440 563796843 /nfs/dbraw/zinc/79/68/43/563796843.db2.gz JBSWFVKJUCWADU-GXSJLCMTSA-N 1 0 388.693 2.675 20 0 GFADRO Cc1ccc(Br)cc1S(=O)(=O)N(C)[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000173239704 552080739 /nfs/dbraw/zinc/08/07/39/552080739.db2.gz GTUWIOOWNZILTP-JSGCOSHPSA-N 1 0 375.332 2.718 20 0 GFADRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)S(=O)(=O)c1ccc(OC(F)F)c(Cl)c1 ZINC000173244268 552080823 /nfs/dbraw/zinc/08/08/23/552080823.db2.gz TZKUPRJXJWHTDM-GWCFXTLKSA-N 1 0 382.860 2.902 20 0 GFADRO C[C@H]([NH2+]C[C@H](c1cccs1)N(C)C)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000173296041 552082070 /nfs/dbraw/zinc/08/20/70/552082070.db2.gz ONPVRSPTPNCFKI-WMLDXEAASA-N 1 0 381.567 2.952 20 0 GFADRO O=S(=O)(c1cccc(Br)c1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000173632523 552089345 /nfs/dbraw/zinc/08/93/45/552089345.db2.gz OQWBXHPJLJNZOD-CQSZACIVSA-N 1 0 387.343 2.946 20 0 GFADRO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2cc3c(c(Br)c2)OCO3)C1 ZINC000173803853 552091875 /nfs/dbraw/zinc/09/18/75/552091875.db2.gz ALQFVBXVVLJAEL-GFCCVEGCSA-N 1 0 383.286 2.982 20 0 GFADRO C[C@@H](C(=O)N1CC[C@H](C[NH+]2CCOCC2)C1)c1ccc(Br)s1 ZINC000173825871 552093281 /nfs/dbraw/zinc/09/32/81/552093281.db2.gz ALXFYBXOMCKUEP-CHWSQXEVSA-N 1 0 387.343 2.795 20 0 GFADRO O=C(NCCOc1cccc(Br)c1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000174194261 552101693 /nfs/dbraw/zinc/10/16/93/552101693.db2.gz MABJYJHVLOUZLZ-OAHLLOKOSA-N 1 0 396.329 2.955 20 0 GFADRO C[N@H+]1[C@@H]2CC[C@H]1CCN(C(=O)C[C@H]1Sc3ccc(Cl)cc3NC1=O)C2 ZINC000174636324 552107618 /nfs/dbraw/zinc/10/76/18/552107618.db2.gz KYEXRRYRTKZPNU-WOSRLPQWSA-N 1 0 379.913 2.838 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)Nc1ccc(F)c(Br)c1 ZINC000174633870 552107651 /nfs/dbraw/zinc/10/76/51/552107651.db2.gz QFJBCYFOTFTXGI-LLVKDONJSA-N 1 0 386.265 2.517 20 0 GFADRO Cc1nc(SCCC(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)n[nH]1 ZINC000174676026 552107987 /nfs/dbraw/zinc/10/79/87/552107987.db2.gz KXFUMIJKKFERRJ-CQSZACIVSA-N 1 0 379.555 2.685 20 0 GFADRO CC[NH+](CC)CCCNC(=O)c1cc(=O)[nH]c2c(Br)cccc12 ZINC000174925467 552112451 /nfs/dbraw/zinc/11/24/51/552112451.db2.gz YJUVIPFVKFMQRY-UHFFFAOYSA-N 1 0 380.286 2.752 20 0 GFADRO COc1ccc(Br)c(S(=O)(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)c1 ZINC000175080391 552115118 /nfs/dbraw/zinc/11/51/18/552115118.db2.gz JEMRUPHAWLMCOQ-NEPJUHHUSA-N 1 0 391.331 2.609 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@H](NS(=O)(=O)c2ccc(F)cc2Br)C1 ZINC000175085313 552115196 /nfs/dbraw/zinc/11/51/96/552115196.db2.gz DEOWOILWCJZOAD-NWDGAFQWSA-N 1 0 379.295 2.739 20 0 GFADRO COc1ccc(Br)cc1S(=O)(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000175086298 552115336 /nfs/dbraw/zinc/11/53/36/552115336.db2.gz QKMUXVPNPIWJAM-STQMWFEESA-N 1 0 391.331 2.609 20 0 GFADRO C[NH+](C)C1CCN(CCNC(=O)NCCc2c(Cl)cccc2Cl)CC1 ZINC000175671696 552127017 /nfs/dbraw/zinc/12/70/17/552127017.db2.gz WPUDODIRQPAQSV-UHFFFAOYSA-N 1 0 387.355 2.861 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)NCc2cc3c(c(Br)c2)OCO3)C1 ZINC000175999304 552133810 /nfs/dbraw/zinc/13/38/10/552133810.db2.gz QKAPEZJMNMPCLI-QWHCGFSZSA-N 1 0 398.301 2.850 20 0 GFADRO CC(C)OCC[NH+]1CCC(NC(=O)Cc2cccc(Br)c2)CC1 ZINC000176677903 552143754 /nfs/dbraw/zinc/14/37/54/552143754.db2.gz DWCWVSBCOQDKDK-UHFFFAOYSA-N 1 0 383.330 2.997 20 0 GFADRO C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000177144757 552150644 /nfs/dbraw/zinc/15/06/44/552150644.db2.gz DODPOFGTXJLDAD-CYBMUJFWSA-N 1 0 388.339 2.903 20 0 GFADRO CC[C@H](C(=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)[NH+](C)C ZINC000177943244 552161063 /nfs/dbraw/zinc/16/10/63/552161063.db2.gz SQTLZQHWQCYEBI-CYBMUJFWSA-N 1 0 378.826 2.743 20 0 GFADRO C[C@@H](CNC(=O)N[C@@H](CO)c1cccc(Br)c1)C[NH+]1CCCC1 ZINC000177970007 552161534 /nfs/dbraw/zinc/16/15/34/552161534.db2.gz TXGJYKWUHCICOA-BBRMVZONSA-N 1 0 384.318 2.514 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(F)c(Br)c2)C1 ZINC000178022229 552162661 /nfs/dbraw/zinc/16/26/61/552162661.db2.gz PEWPFKBIRNHJJD-ZYHUDNBSSA-N 1 0 386.265 2.516 20 0 GFADRO [NH3+]C1(C(=O)NCC2(c3cccc(Br)c3)CCOCC2)CCCC1 ZINC000178042266 552163279 /nfs/dbraw/zinc/16/32/79/552163279.db2.gz MFGCUPIDDUQDAB-UHFFFAOYSA-N 1 0 381.314 2.885 20 0 GFADRO COc1ccc([C@H](C)[NH2+]CC2CCN(S(=O)(=O)C(F)(F)F)CC2)cc1 ZINC000178109430 552164207 /nfs/dbraw/zinc/16/42/07/552164207.db2.gz BPASALAOESCQIR-LBPRGKRZSA-N 1 0 380.432 2.907 20 0 GFADRO COCCNS(=O)(=O)c1cccc(C[NH2+][C@H](C)c2sc(C)nc2C)c1 ZINC000178447321 552170807 /nfs/dbraw/zinc/17/08/07/552170807.db2.gz DVNTVECQPXSRMO-GFCCVEGCSA-N 1 0 383.539 2.535 20 0 GFADRO CSc1ccc(Cl)cc1NC(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000178453235 552170900 /nfs/dbraw/zinc/17/09/00/552170900.db2.gz QCRRICAXXUCRMU-DOMZBBRYSA-N 1 0 381.929 2.943 20 0 GFADRO CCCN(C(=O)c1ccn(-c2cccc(Br)c2)n1)[C@@H]1CC[NH2+]C1 ZINC000178935684 552179733 /nfs/dbraw/zinc/17/97/33/552179733.db2.gz RJHMGENRXDVBIU-OAHLLOKOSA-N 1 0 377.286 2.849 20 0 GFADRO C[C@@H](C[NH3+])N(C)S(=O)(=O)c1csc(-c2ccc(Br)cc2)n1 ZINC000178959128 552181003 /nfs/dbraw/zinc/18/10/03/552181003.db2.gz XXIMCQXANFBZLV-VIFPVBQESA-N 1 0 390.328 2.540 20 0 GFADRO C[NH2+]C1CCN(C(=O)[C@@H]2CCCN2C(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000179142811 552185028 /nfs/dbraw/zinc/18/50/28/552185028.db2.gz LEHGDSZFRMQUAI-INIZCTEOSA-N 1 0 384.307 2.808 20 0 GFADRO Cc1ccc(C(=O)NC2CC[NH+](Cc3ccncc3)CC2)c(Br)n1 ZINC000179318346 552189614 /nfs/dbraw/zinc/18/96/14/552189614.db2.gz OCQDFDWCIWTKMS-UHFFFAOYSA-N 1 0 389.297 2.942 20 0 GFADRO CC[C@H](CO)[NH+]1CCN(C(=O)CCCc2ccccc2Br)CC1 ZINC000179406920 552192457 /nfs/dbraw/zinc/19/24/57/552192457.db2.gz FKPGGANNFHCHLJ-MRXNPFEDSA-N 1 0 383.330 2.687 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C(=O)NCC[NH+]1CCCC1 ZINC000179639072 552198164 /nfs/dbraw/zinc/19/81/64/552198164.db2.gz IKSXOLRVWVMGHZ-UHFFFAOYSA-N 1 0 377.286 2.769 20 0 GFADRO C[N@H+](CCCO)C1CCN(C(=O)[C@@H]2C[C@@H]2c2ccc(Br)cc2)CC1 ZINC000179751631 552201745 /nfs/dbraw/zinc/20/17/45/552201745.db2.gz BRYNMHAHUSVGBP-QZTJIDSGSA-N 1 0 395.341 2.858 20 0 GFADRO CCS(=O)(=O)N1CCC([NH2+][C@@H](C)c2nc3ccc(Cl)cc3n2C)CC1 ZINC000180006167 552209522 /nfs/dbraw/zinc/20/95/22/552209522.db2.gz JJYWLLPMIGXTGN-LBPRGKRZSA-N 1 0 384.933 2.691 20 0 GFADRO Cc1cnccc1[N-]S(=O)(=O)c1ccc(CCNC(=O)C(C)(C)C)s1 ZINC000180062408 552211761 /nfs/dbraw/zinc/21/17/61/552211761.db2.gz NIUFWWOQDNZVHR-UHFFFAOYSA-N 1 0 381.523 2.957 20 0 GFADRO CCC[N@H+](C)C[C@H]1CCN(S(=O)(=O)c2nc(C)c(Br)s2)C1 ZINC000180095843 552213328 /nfs/dbraw/zinc/21/33/28/552213328.db2.gz KSDKOYQLLOQJPA-LLVKDONJSA-N 1 0 396.376 2.566 20 0 GFADRO O=C(C[C@H](O)c1cc(Cl)cc(Cl)c1)NCCCC[N@H+]1CCC[C@@H]1CO ZINC000180200866 552217431 /nfs/dbraw/zinc/21/74/31/552217431.db2.gz LUSWJLLVKKLONZ-SJORKVTESA-N 1 0 389.323 2.770 20 0 GFADRO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)c1cncc(Br)c1 ZINC000180221717 552218218 /nfs/dbraw/zinc/21/82/18/552218218.db2.gz AGNIUGNCYLAQIT-UHFFFAOYSA-N 1 0 375.270 2.886 20 0 GFADRO C[C@@H](C[N@H+](C)C1CCN(S(C)(=O)=O)CC1)c1cccc(Br)c1 ZINC000180630632 552231772 /nfs/dbraw/zinc/23/17/72/552231772.db2.gz FKUWRQQGPIMOKT-ZDUSSCGKSA-N 1 0 389.359 2.908 20 0 GFADRO C[N@@H+]1CCC[C@@H](CNS(=O)(=O)Cc2ccc(Cl)cc2Br)C1 ZINC000180706388 552233222 /nfs/dbraw/zinc/23/32/22/552233222.db2.gz UCMDEBZALQIUIX-NSHDSACASA-N 1 0 395.750 2.864 20 0 GFADRO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]CCc2nc3c(s2)CCCC3)c1 ZINC000180838840 552237084 /nfs/dbraw/zinc/23/70/84/552237084.db2.gz DPJDEXOCUWCUIZ-CYBMUJFWSA-N 1 0 379.551 2.823 20 0 GFADRO C[C@H]([NH2+][C@H]1CC(=O)N(CCN2CCOCC2)C1)c1cc(Cl)ccc1Cl ZINC000181038469 552243452 /nfs/dbraw/zinc/24/34/52/552243452.db2.gz SKALNTXNICUAJJ-ZFWWWQNUSA-N 1 0 386.323 2.577 20 0 GFADRO O[C@H](CSc1nnc(N2CCCC2)s1)C[N@@H+]1CCc2ccccc2C1 ZINC000181129734 552248081 /nfs/dbraw/zinc/24/80/81/552248081.db2.gz HNMIXNWBAIMGEP-INIZCTEOSA-N 1 0 376.551 2.650 20 0 GFADRO Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)[NH2+]CCOCCS(C)(=O)=O ZINC000181146388 552248208 /nfs/dbraw/zinc/24/82/08/552248208.db2.gz HPGMFSPBDNYWEI-GFCCVEGCSA-N 1 0 386.514 2.969 20 0 GFADRO C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@@H]1CC(=O)N(C2CC2)C1 ZINC000181219449 552250344 /nfs/dbraw/zinc/25/03/44/552250344.db2.gz IMAUZJDCJHZVDD-SMDDNHRTSA-N 1 0 380.286 2.519 20 0 GFADRO COC(=O)CS(=O)(=O)Cc1ccc(C[NH2+][C@H](C)c2ccc(C)s2)cc1 ZINC000181316380 552252861 /nfs/dbraw/zinc/25/28/61/552252861.db2.gz JHNPSXLZMKWINY-CQSZACIVSA-N 1 0 381.519 2.995 20 0 GFADRO COc1ccc([C@@H](C)[NH2+]C2CCN(S(C)(=O)=O)CC2)c(Br)c1 ZINC000181453438 552257232 /nfs/dbraw/zinc/25/72/32/552257232.db2.gz WDEBEFMQDWOJIC-LLVKDONJSA-N 1 0 391.331 2.532 20 0 GFADRO CC(=O)Nc1cccc([C@@H](C)[NH2+]CCNS(=O)(=O)c2ccc(C)s2)c1 ZINC000181510947 552258829 /nfs/dbraw/zinc/25/88/29/552258829.db2.gz MYJSDZWQBOBWJI-CYBMUJFWSA-N 1 0 381.523 2.644 20 0 GFADRO C[C@@H]([NH2+]CC(=O)N1CCN(C(=O)C2CC2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000181521929 552259417 /nfs/dbraw/zinc/25/94/17/552259417.db2.gz UNOYBERVNWQRCR-GFCCVEGCSA-N 1 0 384.307 2.725 20 0 GFADRO COc1ccccc1C[C@@H](C)[NH2+]CCNS(=O)(=O)c1ccc(Cl)s1 ZINC000181618895 552262538 /nfs/dbraw/zinc/26/25/38/552262538.db2.gz MOCOGLLTKPZDFR-GFCCVEGCSA-N 1 0 388.942 2.909 20 0 GFADRO O=S(=O)(C[C@H](O)C[NH2+][C@H]1CSCCc2ccccc21)c1cccs1 ZINC000181641097 552263350 /nfs/dbraw/zinc/26/33/50/552263350.db2.gz CJUSNJVZMGOANQ-ZBFHGGJFSA-N 1 0 383.560 2.503 20 0 GFADRO NC(=O)N1CCC([NH2+]CCCOc2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000181769192 552267352 /nfs/dbraw/zinc/26/73/52/552267352.db2.gz BBOSCUAHTQWHPR-UHFFFAOYSA-N 1 0 380.798 2.655 20 0 GFADRO CN(C)C(=O)CC1CC[NH+](C[C@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000182175660 552277400 /nfs/dbraw/zinc/27/74/00/552277400.db2.gz CUIGGWHUSJQXNB-HNNXBMFYSA-N 1 0 389.323 2.923 20 0 GFADRO C[C@@H](CS(C)(=O)=O)[NH2+]CC1(c2cccc(C(F)(F)F)c2)CCOCC1 ZINC000182578969 552287565 /nfs/dbraw/zinc/28/75/65/552287565.db2.gz TYVAVDWXXYISBT-ZDUSSCGKSA-N 1 0 379.444 2.776 20 0 GFADRO C[C@H](CS(C)(=O)=O)[NH2+]C[C@H](c1ccc(Cl)cc1)N1CCOC(C)(C)C1 ZINC000182809592 552293523 /nfs/dbraw/zinc/29/35/23/552293523.db2.gz BZWKYDLKURKTOO-RHSMWYFYSA-N 1 0 388.961 2.515 20 0 GFADRO COc1cc(Br)ccc1CCCNC(=O)NC1CC[NH+](C)CC1 ZINC000182846537 552294674 /nfs/dbraw/zinc/29/46/74/552294674.db2.gz UKGUVZLQMVUHRW-UHFFFAOYSA-N 1 0 384.318 2.784 20 0 GFADRO Cc1cc2cc(C(=O)N3CCN(CC[NH+](C)C)CC3)oc2c(Br)c1 ZINC000182988780 552297778 /nfs/dbraw/zinc/29/77/78/552297778.db2.gz KOZVSVXFNRCMID-UHFFFAOYSA-N 1 0 394.313 2.823 20 0 GFADRO Cc1cc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2cccc(S(N)(=O)=O)c2)c(C)s1 ZINC000182983296 552297833 /nfs/dbraw/zinc/29/78/33/552297833.db2.gz SYZOHHPETHGCBO-VXGBXAGGSA-N 1 0 381.523 2.690 20 0 GFADRO COc1ccc(Cl)cc1NC(=O)CC[NH2+][C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000183069083 552299905 /nfs/dbraw/zinc/29/99/05/552299905.db2.gz XPCMDZCSGRORNG-CJNGLKHVSA-N 1 0 388.917 2.623 20 0 GFADRO COc1ccc(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)nc1Br ZINC000183298164 552304789 /nfs/dbraw/zinc/30/47/89/552304789.db2.gz NKZPCKJYPUOOTL-IUODEOHRSA-N 1 0 394.313 2.942 20 0 GFADRO Cc1c([C@@H](C)[NH2+]CC(=O)Nc2ccc(I)cc2)cnn1C ZINC000183410395 552308623 /nfs/dbraw/zinc/30/86/23/552308623.db2.gz SFTJFOOCHDZARF-SNVBAGLBSA-N 1 0 398.248 2.622 20 0 GFADRO CN(C)C(=O)[C@@H]1CC[C@@H](C[NH2+][C@@H]2CCCOc3c(Br)cccc32)O1 ZINC000183469697 552310544 /nfs/dbraw/zinc/31/05/44/552310544.db2.gz CFDWUUYQNGGRKJ-MAZHCROVSA-N 1 0 397.313 2.888 20 0 GFADRO CC[NH+](CC)[C@H](C)CNS(=O)(=O)c1cc(F)c(Br)cc1OC ZINC000183490186 552311089 /nfs/dbraw/zinc/31/10/89/552311089.db2.gz LRZNESNGIOXQHR-SNVBAGLBSA-N 1 0 397.310 2.605 20 0 GFADRO CC(C)(C)[C@@H](CCO)[NH2+]CC(=O)Nc1cccc(I)c1 ZINC000183679622 552316463 /nfs/dbraw/zinc/31/64/63/552316463.db2.gz ZOVULHPJMVKSER-CYBMUJFWSA-N 1 0 390.265 2.616 20 0 GFADRO Cc1ccc(OC[C@H](O)C[NH2+][C@H](CO)c2cccc(Br)c2)cc1 ZINC000183892893 552321942 /nfs/dbraw/zinc/32/19/42/552321942.db2.gz OYOCIVHPOBNVTE-SJLPKXTDSA-N 1 0 380.282 2.820 20 0 GFADRO Cc1cccc(OC[C@H](O)C[NH2+][C@H](CO)c2cccc(Br)c2)c1 ZINC000183892977 552322013 /nfs/dbraw/zinc/32/20/13/552322013.db2.gz DYRGYZJPKLEZQZ-SJLPKXTDSA-N 1 0 380.282 2.820 20 0 GFADRO C[C@H](C[N@H+](C)CCOc1ccc(S(=O)(=O)N(C)C)cc1)c1nccs1 ZINC000183937768 552323300 /nfs/dbraw/zinc/32/33/00/552323300.db2.gz UDNGSJOOYRNBJS-CQSZACIVSA-N 1 0 383.539 2.508 20 0 GFADRO [NH3+]CC1(CC(=O)NCCNC(=O)c2cccc(Br)c2)CCCCC1 ZINC000184177552 552329281 /nfs/dbraw/zinc/32/92/81/552329281.db2.gz GLWGGGLLAPCLDP-UHFFFAOYSA-N 1 0 396.329 2.594 20 0 GFADRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)c3cc(Cl)ccc3I)C[C@@H]12 ZINC000184962742 552349539 /nfs/dbraw/zinc/34/95/39/552349539.db2.gz BPICNFDVUKNLBM-RLCGTCKNSA-N 1 0 390.652 2.754 20 0 GFADRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)c3ccc(Cl)c(I)c3)C[C@@H]12 ZINC000185033896 552351861 /nfs/dbraw/zinc/35/18/61/552351861.db2.gz ABAQXLWOGOTVJM-OPQQBVKSSA-N 1 0 390.652 2.754 20 0 GFADRO Cc1c(C(=O)N2C[C@H]3CC[C@H]([NH3+])[C@@H]3C2)cnn1-c1ccc(Br)cc1 ZINC000185168476 552356217 /nfs/dbraw/zinc/35/62/17/552356217.db2.gz KNOVPDYXAQONLM-JLZZUVOBSA-N 1 0 389.297 2.753 20 0 GFADRO CN(CC[N@H+](C)C1CC1)C(=O)N[C@H]1CCN(c2ccccc2Br)C1 ZINC000185380100 552362254 /nfs/dbraw/zinc/36/22/54/552362254.db2.gz YJNWHZSCPZQWAY-AWEZNQCLSA-N 1 0 395.345 2.763 20 0 GFADRO C[NH+]1CCN(CCC(C)(C)NS(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000185437187 552363452 /nfs/dbraw/zinc/36/34/52/552363452.db2.gz CCNCZYXXJGXCQD-UHFFFAOYSA-N 1 0 394.368 2.688 20 0 GFADRO COc1cc(Br)cc(S(=O)(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)c1 ZINC000185907455 552373767 /nfs/dbraw/zinc/37/37/67/552373767.db2.gz RMZWHWMCHSJAGT-CHWSQXEVSA-N 1 0 391.331 2.609 20 0 GFADRO CCCOC[C@@H](Cc1cccc(Br)c1)[NH2+][C@H](C)CS(C)(=O)=O ZINC000186503064 552389675 /nfs/dbraw/zinc/38/96/75/552389675.db2.gz RPQUITHAFMNGTI-CZUORRHYSA-N 1 0 392.359 2.810 20 0 GFADRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)c1cc(Cl)ccc1I ZINC000186662122 552394062 /nfs/dbraw/zinc/39/40/62/552394062.db2.gz PJZMSQSCTXVWCD-PELKAZGASA-N 1 0 378.641 2.672 20 0 GFADRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)CCc1nc(-c2cc(Br)cs2)no1 ZINC000186789447 552398175 /nfs/dbraw/zinc/39/81/75/552398175.db2.gz UFVZSPZWBSZVJM-ONGXEEELSA-N 1 0 399.314 2.607 20 0 GFADRO C[NH+](C)CCNS(=O)(=O)c1ccc(Br)c(Cl)c1Cl ZINC000186842041 552399430 /nfs/dbraw/zinc/39/94/30/552399430.db2.gz SIJYRVDZHVJXJW-UHFFFAOYSA-N 1 0 376.103 2.596 20 0 GFADRO CN(CC1([NH+](C)C)CCC1)C(=O)Cc1cccc(I)c1 ZINC000188001164 552431217 /nfs/dbraw/zinc/43/12/17/552431217.db2.gz FCGNGRDCKFGAOB-UHFFFAOYSA-N 1 0 386.277 2.776 20 0 GFADRO COCC[N@H+](C)CCCNC(=O)N1CCc2c(Br)cc(C)cc2C1 ZINC000187050759 552405605 /nfs/dbraw/zinc/40/56/05/552405605.db2.gz JYGDYMXQPFJZGO-UHFFFAOYSA-N 1 0 398.345 2.794 20 0 GFADRO CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]C[C@@H](O)c1ccc(OC)cc1 ZINC000187112011 552406528 /nfs/dbraw/zinc/40/65/28/552406528.db2.gz RHGTWSIOEJVYMH-QGZVFWFLSA-N 1 0 383.897 2.965 20 0 GFADRO COCCOC[C@@H]1CC[N@H+](C[C@H](O)c2ccc(F)c(Br)c2)C1 ZINC000187090734 552406650 /nfs/dbraw/zinc/40/66/50/552406650.db2.gz LUSHIVNQTLRHJV-WBMJQRKESA-N 1 0 376.266 2.607 20 0 GFADRO CCO[C@H]1C[C@]([NH3+])(C(=O)NCCc2ccc(F)c(Br)c2)C1(C)C ZINC000187470729 552416546 /nfs/dbraw/zinc/41/65/46/552416546.db2.gz AXNZECGSNNXNNQ-YOEHRIQHSA-N 1 0 387.293 2.779 20 0 GFADRO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)NOCc1ccc(F)cc1Br ZINC000187494689 552417170 /nfs/dbraw/zinc/41/71/70/552417170.db2.gz CUJSRPQJLWFJKT-LLVKDONJSA-N 1 0 386.265 2.803 20 0 GFADRO C[C@@](O)(CC[NH2+][C@H](C(N)=O)c1cccc(Br)c1)c1ccccc1 ZINC000187669493 552421533 /nfs/dbraw/zinc/42/15/33/552421533.db2.gz ODCUKKVQPPGJRD-FUHWJXTLSA-N 1 0 377.282 2.863 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)NC2CC[NH+](C3CC3)CC2)cc1Br ZINC000188054334 552432835 /nfs/dbraw/zinc/43/28/35/552432835.db2.gz RNSOQEFJJSXEBI-UHFFFAOYSA-N 1 0 394.313 2.747 20 0 GFADRO C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2cc(Cl)cc(C(F)(F)F)c2)C1 ZINC000188093959 552434736 /nfs/dbraw/zinc/43/47/36/552434736.db2.gz CQIAQOWGLWKOSY-JTQLQIEISA-N 1 0 377.794 2.707 20 0 GFADRO C[C@H](C[NH+]1CCCCC1)NS(=O)(=O)c1cc(F)ccc1Br ZINC000188214583 552439101 /nfs/dbraw/zinc/43/91/01/552439101.db2.gz LSVPFKODPSODRR-LLVKDONJSA-N 1 0 379.295 2.741 20 0 GFADRO CC(=O)Nc1cc(F)c(S(=O)(=O)N[C@@H](C)C[NH+]2CCCCC2)cc1Cl ZINC000188214959 552439141 /nfs/dbraw/zinc/43/91/41/552439141.db2.gz OQQYAHFXRMWJML-NSHDSACASA-N 1 0 391.896 2.590 20 0 GFADRO Cc1cc(Br)cc(NC(=O)C(=O)N(C)CC2([NH+](C)C)CCC2)c1 ZINC000188218731 552439772 /nfs/dbraw/zinc/43/97/72/552439772.db2.gz VZARRMKIJREMDM-UHFFFAOYSA-N 1 0 382.302 2.639 20 0 GFADRO CC(C)[C@H]([NH2+][C@H](C)Cc1ccc(Br)cc1)C(=O)N1CCOCC1 ZINC000188238881 552440302 /nfs/dbraw/zinc/44/03/02/552440302.db2.gz SVTKJPAZBLCUSX-PBHICJAKSA-N 1 0 383.330 2.853 20 0 GFADRO Nc1cc(Br)ccc1C(=O)NC1CC[NH+](Cc2cccnc2)CC1 ZINC000188392133 552443780 /nfs/dbraw/zinc/44/37/80/552443780.db2.gz AULPUFILTMYTOU-UHFFFAOYSA-N 1 0 389.297 2.821 20 0 GFADRO COc1cc(Cl)c(Cl)cc1C(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000188619778 552450094 /nfs/dbraw/zinc/45/00/94/552450094.db2.gz OWKBCTJQIGHLRW-NSHDSACASA-N 1 0 375.296 2.919 20 0 GFADRO O=C(Cc1cccc(I)c1)NCc1ccc2c(c1)C[NH2+]C2 ZINC000188687549 552451941 /nfs/dbraw/zinc/45/19/41/552451941.db2.gz JZKCSCGWRJDFMX-UHFFFAOYSA-N 1 0 392.240 2.753 20 0 GFADRO COC(=O)C1(C[NH2+]C2CCN(Cc3ccccc3Br)CC2)CC1 ZINC000188687376 552452123 /nfs/dbraw/zinc/45/21/23/552452123.db2.gz BZPUQMPJNXBPIA-UHFFFAOYSA-N 1 0 381.314 2.956 20 0 GFADRO O=C(CNC(=O)c1ccc(Cl)c(Cl)c1)NCc1ccc2c(c1)C[NH2+]C2 ZINC000188704923 552452946 /nfs/dbraw/zinc/45/29/46/552452946.db2.gz GELWJTCAZWJVKU-UHFFFAOYSA-N 1 0 378.259 2.643 20 0 GFADRO Cc1c(Br)cccc1CC(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000188796317 552455850 /nfs/dbraw/zinc/45/58/50/552455850.db2.gz XKNUQLJBMVZSHG-UHFFFAOYSA-N 1 0 395.341 2.871 20 0 GFADRO COc1cc(C[NH2+]C[C@@H]2CC[C@@H](O)C2)cc(I)c1OC ZINC000188849405 552456977 /nfs/dbraw/zinc/45/69/77/552456977.db2.gz YNKFNBJCZBCQNF-ZYHUDNBSSA-N 1 0 391.249 2.559 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)cc1Br ZINC000188903991 552457791 /nfs/dbraw/zinc/45/77/91/552457791.db2.gz BHDHMFQHPRQYTC-CQSZACIVSA-N 1 0 396.329 2.805 20 0 GFADRO Cc1c(Br)cccc1CC(=O)NCCCC[N@@H+]1CCC[C@@H]1CO ZINC000189576651 552475213 /nfs/dbraw/zinc/47/52/13/552475213.db2.gz PMFMXRPRPRZQPB-MRXNPFEDSA-N 1 0 383.330 2.653 20 0 GFADRO COCCO[C@H]1CC[N@H+](CCC(=O)Nc2ccc(Br)cc2F)C1 ZINC000189651517 552477119 /nfs/dbraw/zinc/47/71/19/552477119.db2.gz ITOURWTUWRLMHM-ZDUSSCGKSA-N 1 0 389.265 2.654 20 0 GFADRO O=C(Nc1cc(C(F)(F)F)ccc1Cl)C(=O)N1CC[NH+]2CCC1CC2 ZINC000189796079 552480470 /nfs/dbraw/zinc/48/04/70/552480470.db2.gz DVAJJRSPHXWOFC-UHFFFAOYSA-N 1 0 375.778 2.604 20 0 GFADRO NC(=O)C[C@H]([NH2+]Cc1ccc(Br)c(Cl)c1)C1CCOCC1 ZINC000189935294 552483449 /nfs/dbraw/zinc/48/34/49/552483449.db2.gz SWZBMXNJYBRVSS-AWEZNQCLSA-N 1 0 375.694 2.863 20 0 GFADRO O=C(Nc1c(F)cccc1Br)C(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000190018950 552485442 /nfs/dbraw/zinc/48/54/42/552485442.db2.gz NLWKYPRDMVKQTH-LBPRGKRZSA-N 1 0 398.276 2.614 20 0 GFADRO CC[NH+]1CCN([C@@H](C)CNC(=O)C2(c3ccccc3Br)CC2)CC1 ZINC000190263044 552491359 /nfs/dbraw/zinc/49/13/59/552491359.db2.gz CJMWDUVDGUFFLX-HNNXBMFYSA-N 1 0 394.357 2.623 20 0 GFADRO CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2cc(C)c(Br)c(C)c2)C1 ZINC000190408118 552495223 /nfs/dbraw/zinc/49/52/23/552495223.db2.gz BIFYCDXEPHBUKG-CQSZACIVSA-N 1 0 396.329 2.853 20 0 GFADRO CCS(=O)(=O)N1CC(C[NH2+][C@@H](C)c2ccc(F)c(Br)c2)C1 ZINC000190693340 552506492 /nfs/dbraw/zinc/50/64/92/552506492.db2.gz FKDSYYOODFGIRI-JTQLQIEISA-N 1 0 379.295 2.520 20 0 GFADRO C[C@H]1C[C@H](N(C)C(=O)Cc2ccc(I)cc2)CC[N@@H+]1C ZINC000190947519 552513936 /nfs/dbraw/zinc/51/39/36/552513936.db2.gz WMJXGHQDEJWOIE-SWLSCSKDSA-N 1 0 386.277 2.775 20 0 GFADRO CC[N@H+](CCNC(=O)c1scc(C)c1I)C1CC1 ZINC000191045997 552517335 /nfs/dbraw/zinc/51/73/35/552517335.db2.gz NBXHUVCZCHHYSZ-UHFFFAOYSA-N 1 0 378.279 2.875 20 0 GFADRO COc1ccc2c(c1)[C@H]([NH2+]CCc1ccc(S(N)(=O)=O)cc1)CCS2 ZINC000191492267 552529567 /nfs/dbraw/zinc/52/95/67/552529567.db2.gz FQGRIGZSNIELGB-QGZVFWFLSA-N 1 0 378.519 2.712 20 0 GFADRO C[C@H]1C[NH+](CCCNC(=O)c2cc(Br)c(F)cc2F)C[C@H](C)O1 ZINC000191896858 552541747 /nfs/dbraw/zinc/54/17/47/552541747.db2.gz PQNUOTITFNKJNX-QWRGUYRKSA-N 1 0 391.256 2.956 20 0 GFADRO COc1ccc(Br)cc1S(=O)(=O)N(CC[NH3+])Cc1ccccc1 ZINC000191927895 552543268 /nfs/dbraw/zinc/54/32/68/552543268.db2.gz DQRZFOBQWNWHTC-UHFFFAOYSA-N 1 0 399.310 2.607 20 0 GFADRO CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)Nc2cc(Cl)c(Cl)cc2OC)C1 ZINC000192062084 552548334 /nfs/dbraw/zinc/54/83/34/552548334.db2.gz QASYQIVEJVIUJH-NSHDSACASA-N 1 0 388.295 2.883 20 0 GFADRO CCS(=O)(=O)CCCCC[NH2+][C@@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1 ZINC000192155396 552553552 /nfs/dbraw/zinc/55/35/52/552553552.db2.gz ACFJJDNZTHURNK-SJLPKXTDSA-N 1 0 386.945 2.806 20 0 GFADRO CS(=O)(=O)N1CCC(C[NH2+]Cc2ccc(Br)c(Cl)c2)CC1 ZINC000192166837 552553972 /nfs/dbraw/zinc/55/39/72/552553972.db2.gz WOEPYYSRFNGLFU-UHFFFAOYSA-N 1 0 395.750 2.864 20 0 GFADRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)c2cc(Br)nn2C)CC1 ZINC000192186953 552555222 /nfs/dbraw/zinc/55/52/22/552555222.db2.gz VHRCDWWANKSXKB-GFCCVEGCSA-N 1 0 392.301 2.533 20 0 GFADRO C[NH+](C)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)c(Br)c2)C1 ZINC000192208123 552556262 /nfs/dbraw/zinc/55/62/62/552556262.db2.gz DJRBSFSZUBKJPJ-JTQLQIEISA-N 1 0 381.723 2.817 20 0 GFADRO Cc1cc(NC(=O)N[C@@H](C)CN2CC[NH+](C)CC2)cc(C)c1Br ZINC000192417959 552562462 /nfs/dbraw/zinc/56/24/62/552562462.db2.gz QPJPLCVDEHYWPS-AWEZNQCLSA-N 1 0 383.334 2.823 20 0 GFADRO COC(=O)c1cccc(NC(=O)N(C)CCCn2ccnc2)c1Br ZINC000192425262 552563068 /nfs/dbraw/zinc/56/30/68/552563068.db2.gz UGNQRWKJKRWLGX-UHFFFAOYSA-N 1 0 395.257 2.986 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000192508963 552565856 /nfs/dbraw/zinc/56/58/56/552565856.db2.gz GSOSSGLSIRHERT-OKILXGFUSA-N 1 0 389.297 2.577 20 0 GFADRO O=C(Nc1cc2c(cc1Br)NC(=O)CO2)C1CC[NH+](C2CC2)CC1 ZINC000192689678 552971703 /nfs/dbraw/zinc/97/17/03/552971703.db2.gz LYKBSTCTACILPI-UHFFFAOYSA-N 1 0 394.269 2.593 20 0 GFADRO C[NH+]1CCN(Cc2cccc(NC(=O)c3ncccc3Br)c2)CC1 ZINC000192895395 552977176 /nfs/dbraw/zinc/97/71/76/552977176.db2.gz APQFLHCPSWNPHA-UHFFFAOYSA-N 1 0 389.297 2.844 20 0 GFADRO C[C@H]1CCCC[C@@]1(C[NH3+])NS(=O)(=O)c1cc(F)ccc1Br ZINC000193038789 552981363 /nfs/dbraw/zinc/98/13/63/552981363.db2.gz HLLZMNZHZITBOK-HZMBPMFUSA-N 1 0 379.295 2.774 20 0 GFADRO O=C([C@@H]1CCC[N@@H+](CCOc2cc(Cl)ccc2Cl)C1)N1CCOCC1 ZINC000193054552 552981747 /nfs/dbraw/zinc/98/17/47/552981747.db2.gz BWUYAPPLAVJLGI-CQSZACIVSA-N 1 0 387.307 2.943 20 0 GFADRO [NH3+][C@@H]1CCCN(S(=O)(=O)c2cc(C(F)(F)F)ccc2Br)C1 ZINC000193223704 552986695 /nfs/dbraw/zinc/98/66/95/552986695.db2.gz XIHWFHGXANUMCE-SECBINFHSA-N 1 0 387.221 2.580 20 0 GFADRO C[C@H]([NH3+])CCC(=O)N1CCC(C(=O)Nc2ccccc2Br)CC1 ZINC000193234734 552987169 /nfs/dbraw/zinc/98/71/69/552987169.db2.gz SCFLRHBZYCLTQW-LBPRGKRZSA-N 1 0 382.302 2.754 20 0 GFADRO C[NH2+][C@H]1CCCN(S(=O)(=O)c2ccc3cc(Br)ccc3c2)C1 ZINC000193332540 552990535 /nfs/dbraw/zinc/99/05/35/552990535.db2.gz NFZSEFUENJPVGN-HNNXBMFYSA-N 1 0 383.311 2.975 20 0 GFADRO C[C@H]1[NH2+]CCC[C@H]1NC(=O)CCC[S@@](=O)c1ccc(Br)cc1 ZINC000193529502 552995572 /nfs/dbraw/zinc/99/55/72/552995572.db2.gz SFLFGUNYERNYBU-AVKZDSLQSA-N 1 0 387.343 2.594 20 0 GFADRO CC[NH+](CC)CCN(C(=O)Nc1ccccc1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000193612425 552998830 /nfs/dbraw/zinc/99/88/30/552998830.db2.gz GCPCRPYAAWNZQE-AWEZNQCLSA-N 1 0 387.933 2.703 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)N1CCC([NH+](C)C)CC1 ZINC000193736424 553001424 /nfs/dbraw/zinc/00/14/24/553001424.db2.gz VYICJNUZHQROQK-UHFFFAOYSA-N 1 0 382.302 2.557 20 0 GFADRO C[C@H](c1ccsc1)N1CCN(C(=O)C(=O)Nc2ccc(Cl)cn2)CC1 ZINC000193832414 553004474 /nfs/dbraw/zinc/00/44/74/553004474.db2.gz WQZONDUFNJVRLA-GFCCVEGCSA-N 1 0 378.885 2.640 20 0 GFADRO C[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000194006676 553009206 /nfs/dbraw/zinc/00/92/06/553009206.db2.gz BUQWWPOJCHVQLQ-DOMZBBRYSA-N 1 0 387.933 2.697 20 0 GFADRO Cc1cc(N2CC[C@H]([NH2+][C@H]3CCc4ccc(Br)cc43)C2=O)n(C)n1 ZINC000193994023 553009453 /nfs/dbraw/zinc/00/94/53/553009453.db2.gz SPXKAQXMCHVVNI-HOTGVXAUSA-N 1 0 389.297 2.873 20 0 GFADRO COCC[NH+]1CCC(NC(=O)[C@H]2C[C@@H]2c2cccc(Br)c2)CC1 ZINC000194892401 553032831 /nfs/dbraw/zinc/03/28/31/553032831.db2.gz WEVLIAMCVRVJIO-SJORKVTESA-N 1 0 381.314 2.780 20 0 GFADRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)Nc1cccc(Cl)c1Cl ZINC000195054277 553036826 /nfs/dbraw/zinc/03/68/26/553036826.db2.gz AINMGLLTVUDRJF-LBPRGKRZSA-N 1 0 388.295 2.501 20 0 GFADRO CC[N@H+](CCNC(=O)c1ccc(F)cc1I)C1CC1 ZINC000227552846 553062697 /nfs/dbraw/zinc/06/26/97/553062697.db2.gz VQAUXQYMDLRCSC-UHFFFAOYSA-N 1 0 376.213 2.644 20 0 GFADRO OCCn1nccc1C1CC[NH+](C[C@@H](O)c2cccc(Br)c2)CC1 ZINC000195509745 553050952 /nfs/dbraw/zinc/05/09/52/553050952.db2.gz WAWKBVPKBAVNIA-GOSISDBHSA-N 1 0 394.313 2.551 20 0 GFADRO O=C(NCC[C@@H]1CC[NH2+]C1)c1ccc(I)c(Cl)c1 ZINC000226246499 553061657 /nfs/dbraw/zinc/06/16/57/553061657.db2.gz XXYNXRUUAORJFX-VIFPVBQESA-N 1 0 378.641 2.674 20 0 GFADRO COc1c(Br)cc(Br)cc1C[NH2+]CCCOCCO ZINC000227332367 553062463 /nfs/dbraw/zinc/06/24/63/553062463.db2.gz KNZNAMXPCAYSHH-UHFFFAOYSA-N 1 0 397.107 2.709 20 0 GFADRO C[N@@H+]1CCC[C@H]2CN(S(=O)(=O)c3sccc3Br)CC[C@H]21 ZINC000227346398 553062587 /nfs/dbraw/zinc/06/25/87/553062587.db2.gz ZFDRRFBRRWMZLU-CMPLNLGQSA-N 1 0 379.345 2.615 20 0 GFADRO O=C(CC1CC[NH2+]CC1)Nc1cc(Br)ccc1N1CCOCC1 ZINC000236713547 553070749 /nfs/dbraw/zinc/07/07/49/553070749.db2.gz JHJGEBAHJIDHSL-UHFFFAOYSA-N 1 0 382.302 2.614 20 0 GFADRO CC(C)[C@@](C)(C[NH3+])NC(=O)CCC[S@@](=O)c1ccc(Br)cc1 ZINC000236804364 553071494 /nfs/dbraw/zinc/07/14/94/553071494.db2.gz KEIXTWVADHLKNP-OPAMFIHVSA-N 1 0 389.359 2.827 20 0 GFADRO CCCN(C(=O)[C@@H](C)N1C(=S)N=NC1c1cccs1)C1CC[NH2+]CC1 ZINC000236813174 553071645 /nfs/dbraw/zinc/07/16/45/553071645.db2.gz DJIOJPQVXXIIME-GFCCVEGCSA-N 1 0 379.555 2.847 20 0 GFADRO CC[C@@H](C)[C@H]([NH3+])C(=O)N1CCC(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000236891733 553072963 /nfs/dbraw/zinc/07/29/63/553072963.db2.gz ILTPJPUENVJFBI-WBMJQRKESA-N 1 0 396.329 3.000 20 0 GFADRO CC[NH2+]CC1CCN(C(=O)c2c(F)cccc2I)CC1 ZINC000237033721 553073403 /nfs/dbraw/zinc/07/34/03/553073403.db2.gz ILASFXDOFNRAHV-UHFFFAOYSA-N 1 0 390.240 2.892 20 0 GFADRO CN(Cc1cscn1)Cc1cccc(NC(=O)C[C@H]2CSCC[NH2+]2)c1 ZINC000237229748 553076014 /nfs/dbraw/zinc/07/60/14/553076014.db2.gz SJOBVKDEEZDOHM-INIZCTEOSA-N 1 0 376.551 2.809 20 0 GFADRO COc1ccc(S(=O)(=O)N[C@@H](C[NH3+])C2CCCCC2)cc1Br ZINC000237324995 553076794 /nfs/dbraw/zinc/07/67/94/553076794.db2.gz WYKYWSKIABDCID-AWEZNQCLSA-N 1 0 391.331 2.644 20 0 GFADRO CS(=O)(=O)Nc1ccc(C(F)(F)F)cc1NC(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000237400117 553076999 /nfs/dbraw/zinc/07/69/99/553076999.db2.gz WSBSPDISQNMRRQ-MWLCHTKSSA-N 1 0 379.404 2.533 20 0 GFADRO C[C@@H](CC(=O)N1CCN(c2ccc(Br)cn2)CC1)[C@H]1CCC[NH2+]C1 ZINC000237370777 553077133 /nfs/dbraw/zinc/07/71/33/553077133.db2.gz ORTMEAZKQGXVKT-GJZGRUSLSA-N 1 0 395.345 2.519 20 0 GFADRO Cc1c(C(=O)N2CCCC[C@H]2[C@@H](C)[NH3+])nnn1-c1cccc(Br)c1 ZINC000237392997 553077172 /nfs/dbraw/zinc/07/71/72/553077172.db2.gz UGYNUAVHMFCRLE-ABAIWWIYSA-N 1 0 392.301 2.680 20 0 GFADRO CC(=O)N[C@H](CC(=O)N1CCCC[C@H]1[C@@H](C)[NH3+])c1ccc(Br)cc1 ZINC000237354074 553077285 /nfs/dbraw/zinc/07/72/85/553077285.db2.gz QSCNNYVXZYAMKI-JLZZUVOBSA-N 1 0 396.329 2.745 20 0 GFADRO C[C@H]1C[C@@H]([NH3+])CCN1C(=O)CCc1nc(-c2cc(Br)cs2)no1 ZINC000237491377 553078129 /nfs/dbraw/zinc/07/81/29/553078129.db2.gz FKDVHLNUZYVOPB-ONGXEEELSA-N 1 0 399.314 2.831 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)CCNC(=O)Nc2ccc(Br)cc2)C1 ZINC000237464056 553078273 /nfs/dbraw/zinc/07/82/73/553078273.db2.gz BDVJCAYMSNRLKZ-QWHCGFSZSA-N 1 0 397.317 2.547 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)c1cc(=O)c2cc(Br)ccc2[nH]1 ZINC000237556234 553078849 /nfs/dbraw/zinc/07/88/49/553078849.db2.gz GHIYTVJEELLYOQ-ZUZCIYMTSA-N 1 0 378.270 2.633 20 0 GFADRO C[C@@]1(C(=O)N2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)CCC[NH2+]C1 ZINC000237554296 553078904 /nfs/dbraw/zinc/07/89/04/553078904.db2.gz VOAIQJGXFOFBQW-GOSISDBHSA-N 1 0 384.307 2.668 20 0 GFADRO C[C@H](CC(=O)NCCC(=O)Nc1ccc(Br)cc1)[C@H]1CCC[NH2+]C1 ZINC000237615523 553079917 /nfs/dbraw/zinc/07/99/17/553079917.db2.gz OIWRALSFSWPUPG-KGLIPLIRSA-N 1 0 396.329 2.920 20 0 GFADRO Cc1ccc(OCCC(=O)N2CCC(OCCC[NH3+])CC2)c(Br)c1 ZINC000237701045 553080690 /nfs/dbraw/zinc/08/06/90/553080690.db2.gz GCIHNJLMISGQBN-UHFFFAOYSA-N 1 0 399.329 2.883 20 0 GFADRO O=C(C[NH2+]C[C@H]1CCCO1)N1CCO[C@@H](c2cc(F)c(Cl)cc2Cl)C1 ZINC000237709601 553081143 /nfs/dbraw/zinc/08/11/43/553081143.db2.gz RHYCYINEWWOKDK-BDJLRTHQSA-N 1 0 391.270 2.801 20 0 GFADRO O=C(Nc1ccc(Cl)c(Br)c1)c1cn(C2CC[NH2+]CC2)nn1 ZINC000237744944 553081165 /nfs/dbraw/zinc/08/11/65/553081165.db2.gz MYWTXBQIBAIBMA-UHFFFAOYSA-N 1 0 384.665 2.871 20 0 GFADRO O=C(NC[C@H]1CCCC[NH2+]1)[C@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl ZINC000237713224 553081296 /nfs/dbraw/zinc/08/12/96/553081296.db2.gz DBUKNNCCHVQHGV-CZUORRHYSA-N 1 0 384.307 2.856 20 0 GFADRO [NH3+]C1(CNC(=O)[C@H]2CCN(c3cccc(Br)c3)C2=O)CCCCC1 ZINC000237763123 553081579 /nfs/dbraw/zinc/08/15/79/553081579.db2.gz CIRTTXJYJKFJRJ-OAHLLOKOSA-N 1 0 394.313 2.580 20 0 GFADRO O=C(NC[C@H]1CCCC[NH2+]1)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1 ZINC000237775415 553081591 /nfs/dbraw/zinc/08/15/91/553081591.db2.gz CVPPSFTYZSSFMA-OAHLLOKOSA-N 1 0 384.929 2.685 20 0 GFADRO O=C(C[C@H]1CSCC[NH2+]1)NC[C@H](c1c(F)cccc1Cl)N1CCCC1 ZINC000237754490 553081625 /nfs/dbraw/zinc/08/16/25/553081625.db2.gz YSWDBLSXLURPSR-XJKSGUPXSA-N 1 0 385.936 2.827 20 0 GFADRO [NH3+]CC1CCN(C(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000237804492 553082116 /nfs/dbraw/zinc/08/21/16/553082116.db2.gz VVSVUQYOMRQKOR-INIZCTEOSA-N 1 0 384.307 2.795 20 0 GFADRO O=C(N[C@H]1CCSc2ccc(Cl)cc21)c1cn(C2CC[NH2+]CC2)nn1 ZINC000237796686 553082383 /nfs/dbraw/zinc/08/23/83/553082383.db2.gz VFUPBDAYRATEML-AWEZNQCLSA-N 1 0 377.901 2.823 20 0 GFADRO FC(F)Oc1ccc(Br)cc1C[NH2+]CCc1nnc2n1CCC2 ZINC000237799832 553082427 /nfs/dbraw/zinc/08/24/27/553082427.db2.gz IYQAIWYMURSCDV-UHFFFAOYSA-N 1 0 387.228 2.921 20 0 GFADRO O=C(Nc1nc(-c2ccc(I)cc2)cs1)[C@H]1CC[NH2+]C1 ZINC000237813794 553082458 /nfs/dbraw/zinc/08/24/58/553082458.db2.gz OEOFUFKMSSGMLC-JTQLQIEISA-N 1 0 399.257 2.963 20 0 GFADRO O=C(NC[C@@H]1CCCN(C(=O)c2c(Cl)cccc2Cl)C1)[C@H]1CCC[NH2+]1 ZINC000237837411 553082813 /nfs/dbraw/zinc/08/28/13/553082813.db2.gz AZFYRCINFUPORH-SWLSCSKDSA-N 1 0 384.307 2.714 20 0 GFADRO O=C([C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000237847919 553082843 /nfs/dbraw/zinc/08/28/43/553082843.db2.gz TWRHUBJNQBRLMN-KCXAZCMYSA-N 1 0 383.323 2.958 20 0 GFADRO [NH3+]C1(C(=O)N2CCN(C(=O)c3c(Cl)cccc3Cl)CC2)CCCCC1 ZINC000237889259 553083324 /nfs/dbraw/zinc/08/33/24/553083324.db2.gz YZMHOIVPNQAWIR-UHFFFAOYSA-N 1 0 384.307 2.939 20 0 GFADRO [NH3+]C[C@H]1CCCCN1C(=O)c1cc(F)c(F)cc1I ZINC000237956965 553084140 /nfs/dbraw/zinc/08/41/40/553084140.db2.gz XFWFYNLFFBWDBT-MRVPVSSYSA-N 1 0 380.176 2.523 20 0 GFADRO [NH3+][C@@H](CNC(=O)Cc1csc(-c2cccc(Br)c2)n1)C1CC1 ZINC000237994772 553084662 /nfs/dbraw/zinc/08/46/62/553084662.db2.gz DSLYMKXKUUBOBN-AWEZNQCLSA-N 1 0 380.311 2.969 20 0 GFADRO [NH3+]C[C@@H]1CCCN(C(=O)c2nn(-c3ccc(F)cc3)cc2Br)C1 ZINC000238090934 553085647 /nfs/dbraw/zinc/08/56/47/553085647.db2.gz AQRYPWGCTXESBO-NSHDSACASA-N 1 0 381.249 2.585 20 0 GFADRO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)c1nn(-c2ccc(F)cc2)cc1Br ZINC000238053078 553085851 /nfs/dbraw/zinc/08/58/51/553085851.db2.gz RHWKQWBKGOVLIO-IINYFYTJSA-N 1 0 381.249 2.631 20 0 GFADRO O=C(CNC(=O)C[N@@H+]1CCC[C@H]2CCC[C@H]21)Nc1ccccc1Br ZINC000245430538 553090682 /nfs/dbraw/zinc/09/06/82/553090682.db2.gz AGEHLSLRBCJIPA-CZUORRHYSA-N 1 0 394.313 2.768 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)c2csc(S(C)(=O)=O)c2)C1 ZINC000245779039 553097207 /nfs/dbraw/zinc/09/72/07/553097207.db2.gz UNPWQPKTSBLWPV-HUUCEWRRSA-N 1 0 384.567 2.878 20 0 GFADRO CCO[C@@H]1C[C@H]([NH2+]C[C@@H](O)CS(=O)(=O)c2cccs2)C12CCCCC2 ZINC000245840518 553097815 /nfs/dbraw/zinc/09/78/15/553097815.db2.gz DLGQHPFZSBNSRQ-OWCLPIDISA-N 1 0 387.567 2.600 20 0 GFADRO O=C(NC[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1)c1cccc(Br)c1 ZINC000245854325 553098493 /nfs/dbraw/zinc/09/84/93/553098493.db2.gz JSXIDVYCCOMUBH-ZWKOTPCHSA-N 1 0 389.293 2.814 20 0 GFADRO O=C(NCc1ccc(Cl)s1)NC[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1 ZINC000245997535 553100826 /nfs/dbraw/zinc/10/08/26/553100826.db2.gz XVIVPQQQXTWFTD-LSDHHAIUSA-N 1 0 379.913 2.836 20 0 GFADRO O=C(NC[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1)c1nc(Cl)ccc1Cl ZINC000246003159 553100996 /nfs/dbraw/zinc/10/09/96/553100996.db2.gz YLMBZNSFRLSBPB-UONOGXRCSA-N 1 0 380.275 2.754 20 0 GFADRO C[C@H](O)CN1CCN(C(=O)Nc2cc(F)c(Br)c(F)c2)C[C@H]1C ZINC000246002582 553101113 /nfs/dbraw/zinc/10/11/13/553101113.db2.gz GMQMJWATKSAICD-ZJUUUORDSA-N 1 0 392.244 2.646 20 0 GFADRO Cc1ccc(Br)cc1S(=O)(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246508945 553109142 /nfs/dbraw/zinc/10/91/42/553109142.db2.gz YDODYQSTTLFPCE-GXTWGEPZSA-N 1 0 375.332 2.861 20 0 GFADRO CCN(C[C@@H](O)COc1c(Cl)cccc1Cl)[C@H](C)CS(=O)(=O)CC ZINC000246628762 553110523 /nfs/dbraw/zinc/11/05/23/553110523.db2.gz CMRDYBAEALWQMF-CHWSQXEVSA-N 1 0 398.352 2.878 20 0 GFADRO C[N@@H+]1CCC[C@@H]2CN(S(=O)(=O)c3cc(Br)ccc3F)CC[C@H]21 ZINC000246878847 553115140 /nfs/dbraw/zinc/11/51/40/553115140.db2.gz DWGRVLKANPEZTB-BXUZGUMPSA-N 1 0 391.306 2.693 20 0 GFADRO CCOCCC[N@@H+]1CC[C@H](NS(=O)(=O)c2ccc(F)c(Cl)c2)[C@@H](C)C1 ZINC000247085724 553118697 /nfs/dbraw/zinc/11/86/97/553118697.db2.gz DGJGUYCKONPQCU-GUYCJALGSA-N 1 0 392.924 2.894 20 0 GFADRO COCCOC[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2cccc(Br)c2)C1 ZINC000247531249 553123421 /nfs/dbraw/zinc/12/34/21/553123421.db2.gz OFHBULZMSJAGBQ-UONOGXRCSA-N 1 0 385.302 2.761 20 0 GFADRO O=C([C@H](c1ccccc1)N1CCSCC1)N1CCS[C@@H]2COCC[C@H]21 ZINC000247562067 553124069 /nfs/dbraw/zinc/12/40/69/553124069.db2.gz RYDSMFMRCZTTMQ-KURKYZTESA-N 1 0 378.563 2.509 20 0 GFADRO O[C@H](COc1cccc(Br)c1)C[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000247933279 553126362 /nfs/dbraw/zinc/12/63/62/553126362.db2.gz CFPFVCHZTAVSHY-HFTRVMKXSA-N 1 0 384.314 2.816 20 0 GFADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@H]3COc4ccc(Br)cc43)CC[C@H]21 ZINC000248146656 553127775 /nfs/dbraw/zinc/12/77/75/553127775.db2.gz ZUMRPFMGBVIQPE-UHOFOFEASA-N 1 0 379.298 2.868 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2ccc(Br)cc2F)[C@@H](C)C1 ZINC000248475432 553130583 /nfs/dbraw/zinc/13/05/83/553130583.db2.gz MVPFFXPRARNMKX-FZMZJTMJSA-N 1 0 393.322 2.939 20 0 GFADRO C[S@](=O)C[C@@H]([NH2+]C[C@@H](O)COCc1ccc(Cl)cc1)c1ccccc1 ZINC000248554938 553131267 /nfs/dbraw/zinc/13/12/67/553131267.db2.gz HVRZJWBRILYEOY-RRQZXNHTSA-N 1 0 381.925 2.927 20 0 GFADRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)c3[nH]nc(-c4ccccc4)c3Br)C[C@H]12 ZINC000248637008 553132712 /nfs/dbraw/zinc/13/27/12/553132712.db2.gz QNWWMOIJXNQNDT-FRRDWIJNSA-N 1 0 375.270 2.649 20 0 GFADRO C[C@@H]1CCCN1S(=O)(=O)NC[C@@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000248708825 553133758 /nfs/dbraw/zinc/13/37/58/553133758.db2.gz MKBTVVQBGRDFPV-IFIJOSMWSA-N 1 0 389.924 2.791 20 0 GFADRO Cc1cc(N2CC[C@H](N[C@@H]3CC[N@H+](C)[C@@H](C)C3)C2=O)ccc1Br ZINC000248762316 553134432 /nfs/dbraw/zinc/13/44/32/553134432.db2.gz GRXGDASURDDMNE-VBQJREDUSA-N 1 0 380.330 2.935 20 0 GFADRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)c2cc(Br)nn2C)C1 ZINC000248846304 553135654 /nfs/dbraw/zinc/13/56/54/553135654.db2.gz RWTTXIWPXZSMIM-UONOGXRCSA-N 1 0 383.334 2.909 20 0 GFADRO C[C@@H](NC(=O)N1CC[N@H+](CC(C)(C)O)C[C@@H]1C)c1cccc(Br)c1 ZINC000249091362 553138816 /nfs/dbraw/zinc/13/88/16/553138816.db2.gz HBGVUKIQHTUOLJ-UONOGXRCSA-N 1 0 398.345 2.997 20 0 GFADRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)Cc1ccc(I)cc1 ZINC000249100204 553139096 /nfs/dbraw/zinc/13/90/96/553139096.db2.gz UOTGQPLPLLHXFS-SWLSCSKDSA-N 1 0 386.277 2.632 20 0 GFADRO C[C@@H](NC(=O)N1CC[N@H+](CC(C)(C)O)C[C@@H]1C)c1ccccc1Br ZINC000249132213 553139442 /nfs/dbraw/zinc/13/94/42/553139442.db2.gz SSGCFNUXOCJYDA-UONOGXRCSA-N 1 0 398.345 2.997 20 0 GFADRO COC(=O)c1ccc(Cl)cc1S(=O)(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000249110440 553139466 /nfs/dbraw/zinc/13/94/66/553139466.db2.gz RAQSCYRTAGNKJM-OLZOCXBDSA-N 1 0 388.917 2.525 20 0 GFADRO C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccc(Br)cc2)CC[N@@H+]1CC(C)(C)O ZINC000249360273 553142140 /nfs/dbraw/zinc/14/21/40/553142140.db2.gz LMSXYTZYPSEOIA-XOKHGSTOSA-N 1 0 395.341 2.856 20 0 GFADRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C[C@@H](O)COc1cc(Cl)ccc1Cl ZINC000249391345 553142726 /nfs/dbraw/zinc/14/27/26/553142726.db2.gz QYTJOSNPGKVFRS-UKRRQHHQSA-N 1 0 391.339 2.510 20 0 GFADRO C[C@H](C(=O)Nc1ccccc1Br)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000249403344 553142901 /nfs/dbraw/zinc/14/29/01/553142901.db2.gz TXKWWMZIXIRPSD-UONOGXRCSA-N 1 0 398.345 2.553 20 0 GFADRO C[C@H](Oc1ccc(Br)cc1)C(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000249405507 553142948 /nfs/dbraw/zinc/14/29/48/553142948.db2.gz UIKATKWAFABJBT-KBPBESRZSA-N 1 0 399.329 2.520 20 0 GFADRO CCO[C@@H]1C[C@@](CO)([NH2+]C[C@@H](O)COc2c(Cl)cccc2Cl)C1(C)C ZINC000249427307 553142962 /nfs/dbraw/zinc/14/29/62/553142962.db2.gz YHZVFDBVRIDDND-DWQUBVKVSA-N 1 0 392.323 2.889 20 0 GFADRO C[C@@H](C(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1)c1ccc(Br)s1 ZINC000249430479 553142985 /nfs/dbraw/zinc/14/29/85/553142985.db2.gz YYXGBYDUZKYZKW-NWDGAFQWSA-N 1 0 389.359 2.918 20 0 GFADRO C[C@@H]1C[N@H+](C[C@H](O)COc2ccc(Cl)cc2Br)CC[C@H]1O ZINC000249570484 553144252 /nfs/dbraw/zinc/14/42/52/553144252.db2.gz OCVWPEBBJMOPBM-SCDSUCTJSA-N 1 0 378.694 2.545 20 0 GFADRO COCCO[C@@H]1CCCN(CC(=O)N[C@H](C)c2ccc(Br)cc2)C1 ZINC000252743893 553150509 /nfs/dbraw/zinc/15/05/09/553150509.db2.gz AWNKKXYWSWPPKQ-RHSMWYFYSA-N 1 0 399.329 2.754 20 0 GFADRO C[C@H](NC(=O)c1cccs1)C(=O)N1CC[NH2+]C[C@@H]1c1cccc(Cl)c1 ZINC000261602516 553153859 /nfs/dbraw/zinc/15/38/59/553153859.db2.gz ACIQQJXMAHVRAD-SWLSCSKDSA-N 1 0 377.897 2.693 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H]2CN(S(=O)(=O)c3ccc(Cl)c(Br)c3)C[C@H]21 ZINC000261596602 553153954 /nfs/dbraw/zinc/15/39/54/553153954.db2.gz LBTPLVJBVBCSJM-GLXFQSAKSA-N 1 0 393.734 2.850 20 0 GFADRO CC(C)n1cc(Br)cc1C(=O)Nc1ccccc1C(=O)NCC[NH3+] ZINC000261603973 553153998 /nfs/dbraw/zinc/15/39/98/553153998.db2.gz CETWDFQZQMYGQA-UHFFFAOYSA-N 1 0 393.285 2.772 20 0 GFADRO Cc1nn(C)c(C)c1C[C@H](C)NC(=O)[C@](C)([NH3+])c1ccc(Br)cc1 ZINC000261624333 553154323 /nfs/dbraw/zinc/15/43/23/553154323.db2.gz BECNCUUSEMXOGC-BBATYDOGSA-N 1 0 393.329 2.721 20 0 GFADRO CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)[C@H]([NH3+])C1CCOCC1 ZINC000261645015 553155004 /nfs/dbraw/zinc/15/50/04/553155004.db2.gz DTLBIRBNUJHYPF-OAHLLOKOSA-N 1 0 388.295 2.534 20 0 GFADRO COc1cccc(CNC(=O)[C@@](C)([NH3+])c2ccc(Br)cc2)c1OC ZINC000261677155 553155737 /nfs/dbraw/zinc/15/57/37/553155737.db2.gz GMWARCBADFDNOH-SFHVURJKSA-N 1 0 393.281 2.957 20 0 GFADRO C[NH2+][C@@H](C)Cc1noc(CCC(=O)c2ccc(I)cc2)n1 ZINC000261683550 553155990 /nfs/dbraw/zinc/15/59/90/553155990.db2.gz GZJFZKZEJLHCKA-JTQLQIEISA-N 1 0 399.232 2.640 20 0 GFADRO O=C(CCN1CC[NH2+]C[C@H]1c1cccnc1)Nc1ccc(Br)cc1 ZINC000261689192 553156514 /nfs/dbraw/zinc/15/65/14/553156514.db2.gz IXTWQZCPDXTOMP-KRWDZBQOSA-N 1 0 389.297 2.819 20 0 GFADRO O=C(c1[nH]nc(-c2ccccc2)c1Br)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000261738633 553157102 /nfs/dbraw/zinc/15/71/02/553157102.db2.gz IFSOFMGRHZPXIX-OKILXGFUSA-N 1 0 389.297 2.911 20 0 GFADRO C[C@]([NH3+])(C(=O)NC[C@@H]1CSCCS1)c1ccc(Br)cc1 ZINC000261752766 553157913 /nfs/dbraw/zinc/15/79/13/553157913.db2.gz MVERSUPRPBHEGH-TZMCWYRMSA-N 1 0 375.357 2.588 20 0 GFADRO CC1CCN(S(=O)(=O)c2ccc(-c3nc(C4([NH3+])CCC4)no3)s2)CC1 ZINC000261756988 553157918 /nfs/dbraw/zinc/15/79/18/553157918.db2.gz MDCTYWJHJUTQDG-UHFFFAOYSA-N 1 0 382.511 2.557 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CCCN(S(=O)(=O)c2c(Cl)cccc2Br)C1 ZINC000261747947 553158226 /nfs/dbraw/zinc/15/82/26/553158226.db2.gz MPCZQBDGSFIIIA-ZJUUUORDSA-N 1 0 381.723 2.850 20 0 GFADRO C[NH2+][C@H](C)Cc1noc([C@H]2CC(=O)N(c3ccccc3Br)C2)n1 ZINC000261763201 553158497 /nfs/dbraw/zinc/15/84/97/553158497.db2.gz MNSWPQOILSPNDO-MNOVXSKESA-N 1 0 379.258 2.503 20 0 GFADRO O=C(c1cnn(-c2ccc(Br)cc2)c1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000261774911 553158501 /nfs/dbraw/zinc/15/85/01/553158501.db2.gz KSDAVKIHDWFGJJ-OKILXGFUSA-N 1 0 389.297 2.706 20 0 GFADRO [NH3+]C[C@H]1CCC[C@H]1C(=O)NC1CCN(Cc2ccc(Br)cc2)CC1 ZINC000261807555 553159686 /nfs/dbraw/zinc/15/96/86/553159686.db2.gz NBBCVWOPZMSZII-CRAIPNDOSA-N 1 0 394.357 2.905 20 0 GFADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@](C)([NH3+])c2ccc(Br)cc2)C1 ZINC000261797494 553159947 /nfs/dbraw/zinc/15/99/47/553159947.db2.gz QPSQEESFYHXWPI-KBXCAEBGSA-N 1 0 382.346 2.813 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CCCCN1S(=O)(=O)c1cc(Cl)ccc1Br ZINC000261796121 553160072 /nfs/dbraw/zinc/16/00/72/553160072.db2.gz LIRHUFJMFYKTRH-BXKDBHETSA-N 1 0 381.723 2.993 20 0 GFADRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)c1ccc(Cl)c(I)c1 ZINC000261858991 553160897 /nfs/dbraw/zinc/16/08/97/553160897.db2.gz QXZLYITWDCYKPD-RKDXNWHRSA-N 1 0 378.641 2.754 20 0 GFADRO C[C@H](NC(=O)CN1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1)c1ccc(Br)cc1 ZINC000261864224 553160925 /nfs/dbraw/zinc/16/09/25/553160925.db2.gz KQMOYLCJGMTQCA-GUDXXQAFSA-N 1 0 380.330 2.686 20 0 GFADRO CN(Cc1nccn1C(F)F)C(=O)[C@@](C)([NH3+])c1ccc(Br)cc1 ZINC000261855245 553160987 /nfs/dbraw/zinc/16/09/87/553160987.db2.gz WICAJOQIKKZHLO-HNNXBMFYSA-N 1 0 387.228 2.873 20 0 GFADRO O=C(c1cnn(-c2cccc(Br)c2)c1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000261857221 553161044 /nfs/dbraw/zinc/16/10/44/553161044.db2.gz RCLXVZCRPYQKLS-OKILXGFUSA-N 1 0 389.297 2.706 20 0 GFADRO [NH3+][C@@H](C(=O)Nc1nc2ccc(OC(F)(F)F)cc2s1)C1CCOCC1 ZINC000261855105 553161164 /nfs/dbraw/zinc/16/11/64/553161164.db2.gz RWNMHOXPCPHOOT-GFCCVEGCSA-N 1 0 375.372 2.887 20 0 GFADRO O=C(CSCc1cccc(Cl)c1)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000261876694 553161498 /nfs/dbraw/zinc/16/14/98/553161498.db2.gz OSQPJJJHAHJWKC-AWEZNQCLSA-N 1 0 395.878 2.526 20 0 GFADRO Cc1noc(C2CCN(C(=O)[C@](C)([NH3+])c3ccc(Br)cc3)CC2)n1 ZINC000261867554 553161844 /nfs/dbraw/zinc/16/18/44/553161844.db2.gz XPEGPPPDBKAEJQ-QGZVFWFLSA-N 1 0 393.285 2.721 20 0 GFADRO CCN(Cc1cccc(Br)c1)C(=O)C1(n2cccn2)CC[NH2+]CC1 ZINC000261951238 553163546 /nfs/dbraw/zinc/16/35/46/553163546.db2.gz OJNQMKKMVDXART-UHFFFAOYSA-N 1 0 391.313 2.773 20 0 GFADRO C[C@@H](C(=O)N(C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C1C[NH2+]C1 ZINC000262007321 553164128 /nfs/dbraw/zinc/16/41/28/553164128.db2.gz RYSXUNRHZBIQRX-SECBINFHSA-N 1 0 377.794 2.611 20 0 GFADRO Cc1noc([C@H]2CCCN(C(=O)[C@](C)([NH3+])c3ccc(Br)cc3)C2)n1 ZINC000261978869 553164210 /nfs/dbraw/zinc/16/42/10/553164210.db2.gz OIWMVHNSYZBSFD-YVEFUNNKSA-N 1 0 393.285 2.721 20 0 GFADRO CCS(=O)(=O)c1ccc(C(=O)Nc2ncc(C3CC[NH2+]CC3)s2)cc1 ZINC000262157293 553166507 /nfs/dbraw/zinc/16/65/07/553166507.db2.gz ZLXJEYAKRQTONQ-UHFFFAOYSA-N 1 0 379.507 2.656 20 0 GFADRO CN(Cc1c(F)cccc1Cl)S(=O)(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000262268459 553168682 /nfs/dbraw/zinc/16/86/82/553168682.db2.gz KBZVRKGNSSQMSL-UHFFFAOYSA-N 1 0 383.876 2.549 20 0 GFADRO CC[NH2+]CC1CCN(CCS(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000262311111 553168721 /nfs/dbraw/zinc/16/87/21/553168721.db2.gz PUBRFDXOVVGGMT-UHFFFAOYSA-N 1 0 389.359 2.544 20 0 GFADRO CC[NH2+][C@H](C)CNC(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000262429978 553170699 /nfs/dbraw/zinc/17/06/99/553170699.db2.gz DVJLSZDTIMDZDE-OCCSQVGLSA-N 1 0 386.323 2.960 20 0 GFADRO O=C([C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1)N1CCC(n2cc(Br)cn2)CC1 ZINC000262465515 553171372 /nfs/dbraw/zinc/17/13/72/553171372.db2.gz LXXNZLWAWHFMKU-RCBQFDQVSA-N 1 0 381.318 2.730 20 0 GFADRO O=C(c1ccc(Cl)c(I)c1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262598848 553172984 /nfs/dbraw/zinc/17/29/84/553172984.db2.gz MTUMLDVAVWKEHS-MNOVXSKESA-N 1 0 390.652 2.911 20 0 GFADRO C[NH2+]C[C@@H]1CCN(C(=O)[C@H](CCOC)Cc2cccc(Br)c2)C1 ZINC000262583932 553173145 /nfs/dbraw/zinc/17/31/45/553173145.db2.gz SDVIIYDBYKXTLN-JKSUJKDBSA-N 1 0 383.330 2.712 20 0 GFADRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)Cc1csc(NC(=O)c2cccs2)n1 ZINC000262627254 553173371 /nfs/dbraw/zinc/17/33/71/553173371.db2.gz LXAXTPUOBDNBFU-AAEUAGOBSA-N 1 0 378.523 2.633 20 0 GFADRO CN(Cc1ccccc1Br)C(=O)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000262768396 553175022 /nfs/dbraw/zinc/17/50/22/553175022.db2.gz MDXQBIJCYPJEGS-CQSZACIVSA-N 1 0 377.286 2.842 20 0 GFADRO CN(Cc1ccccc1Br)C(=O)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000262768394 553175200 /nfs/dbraw/zinc/17/52/00/553175200.db2.gz MDXQBIJCYPJEGS-AWEZNQCLSA-N 1 0 377.286 2.842 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)c2ccc(I)cc2Cl)CC[NH2+]1 ZINC000262839271 553176930 /nfs/dbraw/zinc/17/69/30/553176930.db2.gz IROHIDAMLLEQJO-SCZZXKLOSA-N 1 0 378.641 2.815 20 0 GFADRO C[NH2+]CCN(C)C(=O)c1ccc(OCc2cc(C)on2)c(Br)c1 ZINC000263267799 553185251 /nfs/dbraw/zinc/18/52/51/553185251.db2.gz VUKIQNCVKTYQDA-UHFFFAOYSA-N 1 0 382.258 2.616 20 0 GFADRO C[C@H](CNC(=O)C1(c2ccc(Br)cc2)CCC1)N1CC[NH+](C)CC1 ZINC000263805884 553193879 /nfs/dbraw/zinc/19/38/79/553193879.db2.gz UZTBSJCQCIKWMJ-OAHLLOKOSA-N 1 0 394.357 2.623 20 0 GFADRO C[NH2+]C(C)(C)CNC(=O)Nc1c(F)cc(I)cc1F ZINC000417288629 563877085 /nfs/dbraw/zinc/87/70/85/563877085.db2.gz NOVCOXTXFDLCAC-UHFFFAOYSA-N 1 0 383.180 2.689 20 0 GFADRO Cc1cc(Br)cc(C[NH2+]CCN2CCC(O)CC2)c1OC(F)F ZINC000449645701 564193155 /nfs/dbraw/zinc/19/31/55/564193155.db2.gz LISLHDFGNKLOPW-UHFFFAOYSA-N 1 0 393.272 2.905 20 0 GFADRO Cc1cc(S(=O)(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)ccc1Br ZINC000564967079 564259922 /nfs/dbraw/zinc/25/99/22/564259922.db2.gz RXEZPMKPFGNALP-JOCQHMNTSA-N 1 0 375.332 2.801 20 0 GFADRO [NH3+]CCC1CCN(S(=O)(=O)c2cc(Cl)c(Br)cc2F)CC1 ZINC000565096521 564265810 /nfs/dbraw/zinc/26/58/10/564265810.db2.gz STBCWEQXMBIQBK-UHFFFAOYSA-N 1 0 399.713 2.991 20 0 GFADRO C[C@@H]1C[C@H](NS(=O)(=O)Cc2ccc(Br)c(F)c2)C[N@@H+]1C1CC1 ZINC000451299106 564297632 /nfs/dbraw/zinc/29/76/32/564297632.db2.gz RDSOIKJJQXNDCH-PWSUYJOCSA-N 1 0 391.306 2.633 20 0 GFADRO CCC[C@@]1([NH2+]CC(=O)Nc2cccc(I)c2)CCOC1 ZINC000512271859 564397235 /nfs/dbraw/zinc/39/72/35/564397235.db2.gz WGWWGEQANNXHAT-OAHLLOKOSA-N 1 0 388.249 2.779 20 0 GFADRO C[C@@H](CC[NH+](C)C)NC(=O)c1ccc2cc(I)ccc2n1 ZINC000480202088 564464068 /nfs/dbraw/zinc/46/40/68/564464068.db2.gz RWDMABGAGZQOPE-NSHDSACASA-N 1 0 397.260 2.909 20 0 GFADRO Cc1csc(C(=O)N2CCC[C@H](CC[NH3+])C2)c1I ZINC000563109610 565055795 /nfs/dbraw/zinc/05/57/95/565055795.db2.gz UCVOOTRWRWOEDE-SNVBAGLBSA-N 1 0 378.279 2.862 20 0 GFADRO CC[NH+](CC)[C@H](CNC(=O)NCc1nn(C)cc1Br)CC(C)C ZINC000454628227 564517262 /nfs/dbraw/zinc/51/72/62/564517262.db2.gz YDXDFZAPFKFUKI-ZDUSSCGKSA-N 1 0 388.354 2.738 20 0 GFADRO CC(C)(C[NH+]1CCCC1)NS(=O)(=O)c1ccc(F)cc1Br ZINC000308675332 563434642 /nfs/dbraw/zinc/43/46/42/563434642.db2.gz INKSLEULTVFSPC-UHFFFAOYSA-N 1 0 379.295 2.741 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1c(Cl)cccc1Br ZINC000312795858 563437151 /nfs/dbraw/zinc/43/71/51/563437151.db2.gz GMWKRDGLEPPCCY-SNVBAGLBSA-N 1 0 381.723 2.865 20 0 GFADRO C[NH+](C)C[C@@H]1CCCN1S(=O)(=O)c1c(Cl)cccc1Br ZINC000312327412 563437175 /nfs/dbraw/zinc/43/71/75/563437175.db2.gz IJQFEMREWHRGIA-JTQLQIEISA-N 1 0 381.723 2.817 20 0 GFADRO O=C(N[C@H]1C[C@H](c2ccc(Br)cc2)C1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000418197132 563213416 /nfs/dbraw/zinc/21/34/16/563213416.db2.gz FFKHLHRJWRAAIS-MPTYRVRUSA-N 1 0 378.314 2.946 20 0 GFADRO COc1ccc(OC(F)F)c(C[NH2+]C2CCC(CS(C)(=O)=O)CC2)c1 ZINC000294718993 563213670 /nfs/dbraw/zinc/21/36/70/563213670.db2.gz JYMUEBSTJJGOTE-UHFFFAOYSA-N 1 0 377.453 2.990 20 0 GFADRO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(I)cc1F ZINC000294707396 563213809 /nfs/dbraw/zinc/21/38/09/563213809.db2.gz ZKIHZCRQOCILCL-SNVBAGLBSA-N 1 0 388.224 2.644 20 0 GFADRO C[NH2+]C[C@H]1CCCN(C(=O)NCCC(=O)Nc2cc(Cl)cc(Cl)c2)C1 ZINC000418222025 563213991 /nfs/dbraw/zinc/21/39/91/563213991.db2.gz VKQPZKBDBLJCGT-GFCCVEGCSA-N 1 0 387.311 2.963 20 0 GFADRO CC1(C)Cc2ccc(Br)cc2[C@H]1NC(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000418221189 563214171 /nfs/dbraw/zinc/21/41/71/563214171.db2.gz VKTJFYPWUUANBH-GOEBONIOSA-N 1 0 396.329 2.832 20 0 GFADRO CO[C@@H]1CCN(C(=O)N[C@H](C)c2ccc(F)c(Br)c2)[C@H](C[NH3+])C1 ZINC000418212485 563214231 /nfs/dbraw/zinc/21/42/31/563214231.db2.gz GFBWPSOSHDQVDB-KGYLQXTDSA-N 1 0 388.281 2.797 20 0 GFADRO C[NH2+]C[C@@H]1CCCN(C(=O)NCCC(=O)Nc2cc(Cl)cc(Cl)c2)C1 ZINC000418222026 563214234 /nfs/dbraw/zinc/21/42/34/563214234.db2.gz VKQPZKBDBLJCGT-LBPRGKRZSA-N 1 0 387.311 2.963 20 0 GFADRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)NCc1nc2c(cccc2Br)[nH]1 ZINC000418260713 563215043 /nfs/dbraw/zinc/21/50/43/563215043.db2.gz GZCYKBXUXULSJU-LBPRGKRZSA-N 1 0 382.306 2.840 20 0 GFADRO CC[C@H](c1ccc(Br)cc1)N1CCN(C(=O)NCCC[NH3+])CC1 ZINC000418314290 563215743 /nfs/dbraw/zinc/21/57/43/563215743.db2.gz SAAJHMFAOIWBQU-MRXNPFEDSA-N 1 0 383.334 2.576 20 0 GFADRO [NH3+]C1(CNC(=O)N[C@@H](CO)c2ccc(Br)cc2)CCCCCC1 ZINC000418281977 563215803 /nfs/dbraw/zinc/21/58/03/563215803.db2.gz GDZGJHOWXPWWKQ-HNNXBMFYSA-N 1 0 384.318 2.833 20 0 GFADRO COCC[N@@H+]1CC[C@@H](NC(=O)c2cc(Cl)c(F)cc2Br)C1 ZINC000294760548 563216070 /nfs/dbraw/zinc/21/60/70/563216070.db2.gz YEXYMMIKLUMXIV-SECBINFHSA-N 1 0 379.657 2.692 20 0 GFADRO C[NH2+]C[C@@H](C)CNC(=O)N(CCOC)Cc1sccc1Br ZINC000418364067 563216219 /nfs/dbraw/zinc/21/62/19/563216219.db2.gz CTHXFZVEJJVBPL-LLVKDONJSA-N 1 0 378.336 2.524 20 0 GFADRO C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)NC[C@@H]2CCC[NH2+]2)CC1 ZINC000418361776 563216244 /nfs/dbraw/zinc/21/62/44/563216244.db2.gz HDKVEXVWUUWYIV-YOEHRIQHSA-N 1 0 395.345 2.589 20 0 GFADRO O=C(N[C@@H]1CC[NH2+]C1)N1CCN(c2ccc(C(F)(F)F)cc2Cl)CC1 ZINC000418394059 563217140 /nfs/dbraw/zinc/21/71/40/563217140.db2.gz XJDUAHJUDVWQDE-GFCCVEGCSA-N 1 0 376.810 2.552 20 0 GFADRO C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)NC[C@@H]([NH3+])C2CC2)CC1 ZINC000418480978 563218526 /nfs/dbraw/zinc/21/85/26/563218526.db2.gz CGLBWFSXIUUWKZ-CXAGYDPISA-N 1 0 395.345 2.575 20 0 GFADRO COc1cc(C[NH2+]C[C@@H](C)CCCO)cc(I)c1OC ZINC000294851533 563219514 /nfs/dbraw/zinc/21/95/14/563219514.db2.gz SBSOTDIOGARDTO-NSHDSACASA-N 1 0 393.265 2.807 20 0 GFADRO COCC[NH2+]CCNC(=O)N1CCC(c2ccccc2Br)CC1 ZINC000418516423 563219675 /nfs/dbraw/zinc/21/96/75/563219675.db2.gz ZTTGHPJQIMDKRJ-UHFFFAOYSA-N 1 0 384.318 2.574 20 0 GFADRO CCN(CCOc1ccc(Br)cc1)C(=O)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000418599684 563220935 /nfs/dbraw/zinc/22/09/35/563220935.db2.gz JQIUEWGRLKXULR-HIFRSBDPSA-N 1 0 384.318 3.000 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)N[C@@H](CO)c2ccc(Cl)cc2C(F)(F)F)CC[NH2+]1 ZINC000418612049 563221279 /nfs/dbraw/zinc/22/12/79/563221279.db2.gz VHQSCIDOXCRELT-UDZFHETQSA-N 1 0 379.810 2.832 20 0 GFADRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NC(C)(C)COc1ncc(Cl)cc1Cl ZINC000418606496 563221326 /nfs/dbraw/zinc/22/13/26/563221326.db2.gz ZKLYUGLQDFGNOA-MFKMUULPSA-N 1 0 375.300 2.843 20 0 GFADRO COc1ccc(Br)c(C(=O)NCCC[NH2+][C@H]2CSC[C@H]2C)c1 ZINC000294916358 563221415 /nfs/dbraw/zinc/22/14/15/563221415.db2.gz CLJGUQGZAZSXNM-ABAIWWIYSA-N 1 0 387.343 2.919 20 0 GFADRO COCC1(CNC(=O)N(C)CCc2ccc(Br)cc2)CC[NH2+]CC1 ZINC000418638571 563221437 /nfs/dbraw/zinc/22/14/37/563221437.db2.gz LIWCPTYSIJMASH-UHFFFAOYSA-N 1 0 398.345 2.649 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)N[C@H](CO)c2ccc(Cl)cc2C(F)(F)F)CC[NH2+]1 ZINC000418611685 563221504 /nfs/dbraw/zinc/22/15/04/563221504.db2.gz VHQSCIDOXCRELT-GLXFQSAKSA-N 1 0 379.810 2.832 20 0 GFADRO C[C@@H](C[NH3+])NC(=O)N1CCC[C@H]1c1nc(-c2ccccc2Br)no1 ZINC000418618928 563221550 /nfs/dbraw/zinc/22/15/50/563221550.db2.gz OCXBPHVTVPORGL-GWCFXTLKSA-N 1 0 394.273 2.693 20 0 GFADRO C[N@H+]1C[C@H]2CN(C(=O)[C@H]3C[C@@]34CCc3cc(Br)ccc34)C[C@H]2C1 ZINC000369705600 563221803 /nfs/dbraw/zinc/22/18/03/563221803.db2.gz ZNBKOIKIWRBXNU-QOIYZWAUSA-N 1 0 375.310 2.673 20 0 GFADRO CC(=O)NCCN(Cc1ccc(Cl)cc1Cl)C(=O)N[C@@H](C)CCC[NH3+] ZINC000418687892 563222090 /nfs/dbraw/zinc/22/20/90/563222090.db2.gz MNLULRNZJDOACJ-LBPRGKRZSA-N 1 0 389.327 2.769 20 0 GFADRO C[C@H](CCCC[NH3+])NC(=O)N(CCO)Cc1cc(Br)ccc1F ZINC000418690497 563222345 /nfs/dbraw/zinc/22/23/45/563222345.db2.gz GZBBMNOLAOVUHB-GFCCVEGCSA-N 1 0 390.297 2.610 20 0 GFADRO CC[C@@H]([NH3+])CNC(=O)N1CCC[C@@H]1c1ccccc1I ZINC000418714646 563222668 /nfs/dbraw/zinc/22/26/68/563222668.db2.gz QOSPHJOYUBAEBF-BXUZGUMPSA-N 1 0 387.265 2.875 20 0 GFADRO [NH3+][C@@H]1CCC[C@H](CNC(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)C1 ZINC000418718133 563223505 /nfs/dbraw/zinc/22/35/05/563223505.db2.gz JZIYWOJCJGWCLN-GXTWGEPZSA-N 1 0 386.327 2.738 20 0 GFADRO CN(C(=O)c1ccc(I)c(F)c1)[C@@H]1CCC[NH2+]CC1 ZINC000369751590 563223941 /nfs/dbraw/zinc/22/39/41/563223941.db2.gz YHSYEFHHJTUGRF-LLVKDONJSA-N 1 0 376.213 2.644 20 0 GFADRO COc1cc(Br)c(C(=O)N2CC[C@H]3CC[N@H+](C)C[C@H]32)cc1OC ZINC000294974245 563224050 /nfs/dbraw/zinc/22/40/50/563224050.db2.gz LGKQBIHHMGKQAF-BXUZGUMPSA-N 1 0 383.286 2.633 20 0 GFADRO CC[C@@H](CN(C)C(=O)NC[C@@H]1C[NH2+]CCO1)Oc1ccc(Cl)c(Cl)c1 ZINC000418771048 563225134 /nfs/dbraw/zinc/22/51/34/563225134.db2.gz RHCXTZQMJRRQGA-JSGCOSHPSA-N 1 0 390.311 2.781 20 0 GFADRO Cc1cc(Br)c2c(c1)CN(C(=O)N[C@@H]1C[NH2+]CCC1(F)F)CC2 ZINC000418770533 563225179 /nfs/dbraw/zinc/22/51/79/563225179.db2.gz SMVFTNFAWUGSDM-CQSZACIVSA-N 1 0 388.256 2.822 20 0 GFADRO C[C@@H]1C[C@H](N(C)C(=O)c2cccnc2-n2cc(Br)cn2)CC[N@@H+]1C ZINC000295014148 563225335 /nfs/dbraw/zinc/22/53/35/563225335.db2.gz QDBAOJDEYRUZQX-TZMCWYRMSA-N 1 0 392.301 2.585 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1CN1CC[C@@H](SC)C1 ZINC000295003565 563225550 /nfs/dbraw/zinc/22/55/50/563225550.db2.gz ISEDKVYOENQIMZ-SMDDNHRTSA-N 1 0 387.343 2.900 20 0 GFADRO C[C@H]1C[C@H](N(C)C(=O)c2cccnc2-n2cc(Br)cn2)CC[N@@H+]1C ZINC000295014144 563225563 /nfs/dbraw/zinc/22/55/63/563225563.db2.gz QDBAOJDEYRUZQX-GXTWGEPZSA-N 1 0 392.301 2.585 20 0 GFADRO O=C(N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)N1CCc2ccc(Br)cc2C1 ZINC000418782036 563225975 /nfs/dbraw/zinc/22/59/75/563225975.db2.gz DIGFYTLXAZUWCU-GRDNDAEWSA-N 1 0 378.314 2.905 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000418819486 563226626 /nfs/dbraw/zinc/22/66/26/563226626.db2.gz QLEIWKHMSZTUJO-YPHNTLSLSA-N 1 0 384.307 2.551 20 0 GFADRO C[C@H](NC(=O)C(=O)N1CC[C@@H]([NH3+])[C@H](C)C1)c1cc(F)c(Cl)cc1Cl ZINC000418833393 563227149 /nfs/dbraw/zinc/22/71/49/563227149.db2.gz IIIKRWCFJZAZSW-TVLCNXBWSA-N 1 0 376.259 2.505 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCN(CCN2CCOCC2)C1)c1cccc(Br)c1 ZINC000369883059 563227251 /nfs/dbraw/zinc/22/72/51/563227251.db2.gz PESFAYKNGBPVJQ-MAUKXSAKSA-N 1 0 382.346 2.506 20 0 GFADRO C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000369913221 563227747 /nfs/dbraw/zinc/22/77/47/563227747.db2.gz QKPBVWWTPWXIQK-TZQJONAQSA-N 1 0 384.307 2.698 20 0 GFADRO Cc1c(Br)cc(C(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)c(=O)n1C ZINC000277820244 563228213 /nfs/dbraw/zinc/22/82/13/563228213.db2.gz OVWRADDUDGOPHB-CQSZACIVSA-N 1 0 396.329 2.547 20 0 GFADRO C[C@@H](CO)[N@@H+]1CCCN(c2nc(C(F)(F)F)c(Br)s2)CC1 ZINC000418948683 563231632 /nfs/dbraw/zinc/23/16/32/563231632.db2.gz NIUNTQRFQNDOFI-QMMMGPOBSA-N 1 0 388.253 2.817 20 0 GFADRO CC1(CNC(=O)C(=O)N[C@@H]2CCc3c2ccc(Cl)c3Cl)CC[NH2+]CC1 ZINC000419090919 563233067 /nfs/dbraw/zinc/23/30/67/563233067.db2.gz FYHPUCFYQLWCLO-CQSZACIVSA-N 1 0 384.307 2.603 20 0 GFADRO [NH3+]C[C@H](NC(=O)C(=O)N[C@@H]1CCSc2ccc(Cl)cc21)C1CCCC1 ZINC000419216456 563235360 /nfs/dbraw/zinc/23/53/60/563235360.db2.gz NSYMQFMBYVTHKN-CABCVRRESA-N 1 0 381.929 2.627 20 0 GFADRO COc1cc(Br)c(C(=O)N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)cc1OC ZINC000295216957 563236232 /nfs/dbraw/zinc/23/62/32/563236232.db2.gz XSVNTZKQFPAQFV-QWRGUYRKSA-N 1 0 383.286 2.821 20 0 GFADRO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1CCOc1ccc(Cl)cc1Br ZINC000419317566 563236892 /nfs/dbraw/zinc/23/68/92/563236892.db2.gz AJUUZMGQWJPFMO-STQMWFEESA-N 1 0 391.737 2.868 20 0 GFADRO O=C(NCC1CC[NH+](C2CC2)CC1)N[C@@H](CO)c1ccc(Br)cc1 ZINC000278046643 563238251 /nfs/dbraw/zinc/23/82/51/563238251.db2.gz CRCSGWSTNXXSAG-KRWDZBQOSA-N 1 0 396.329 2.656 20 0 GFADRO C[C@H](NC(=O)CN1C[C@@H](C)[N@H+](CCO)C[C@@H]1C)c1ccc(Cl)cc1Cl ZINC000419345933 563238667 /nfs/dbraw/zinc/23/86/67/563238667.db2.gz UPUQFZXYIDXSCG-RDBSUJKOSA-N 1 0 388.339 2.558 20 0 GFADRO Cc1ccc([C@H](CNC(=O)c2c(Br)cnn2C)[NH+]2CCCC2)o1 ZINC000295266902 563238895 /nfs/dbraw/zinc/23/88/95/563238895.db2.gz OCWDESKUQQWTBH-ZDUSSCGKSA-N 1 0 381.274 2.651 20 0 GFADRO O=C1CC[C@H]([NH2+]CC2=Cc3cc(Br)ccc3OC2)[C@@H](C2CC2)N1 ZINC000370281320 563239462 /nfs/dbraw/zinc/23/94/62/563239462.db2.gz ZFQOEUQEJYDIOH-MAUKXSAKSA-N 1 0 377.282 2.872 20 0 GFADRO C[C@@H]1CN(C(=O)N[C@H]2COc3c2ccc(Cl)c3Cl)[C@@H](C)C[N@@H+]1CCO ZINC000419461733 563240421 /nfs/dbraw/zinc/24/04/21/563240421.db2.gz IBXJOMMEDJRIGW-SUNKGSAMSA-N 1 0 388.295 2.523 20 0 GFADRO O=C(Cc1cc[nH]c(=O)c1Br)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000278112161 563240722 /nfs/dbraw/zinc/24/07/22/563240722.db2.gz LAUMQBYRSOLYJX-CQSZACIVSA-N 1 0 382.302 2.569 20 0 GFADRO CCCOc1c(Br)cc(C[NH2+][C@@]2(CCO)CCOC2)cc1OC ZINC000278112466 563240804 /nfs/dbraw/zinc/24/08/04/563240804.db2.gz BOVOBZQFDJYACQ-KRWDZBQOSA-N 1 0 388.302 2.878 20 0 GFADRO O=C([C@@H](O)c1ccc(Cl)c(Cl)c1)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000295308261 563240928 /nfs/dbraw/zinc/24/09/28/563240928.db2.gz OQQKPMGEBXCNLG-GUYCJALGSA-N 1 0 387.307 2.598 20 0 GFADRO Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)N1CC[N@@H+](C2CC2)C[C@@H](C)C1 ZINC000295307206 563241217 /nfs/dbraw/zinc/24/12/17/563241217.db2.gz JYQFFNMIOBTXJU-SNVBAGLBSA-N 1 0 378.826 2.806 20 0 GFADRO C[C@@H](Cc1c(Cl)cccc1Cl)NC(=O)C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000419590684 563242752 /nfs/dbraw/zinc/24/27/52/563242752.db2.gz KIDDWTLBDXBEHZ-STQMWFEESA-N 1 0 386.323 2.547 20 0 GFADRO C[C@@H](NC(=O)C(=O)NC[C@@H](C)C[NH3+])c1ccc(-c2ccc(Cl)cc2)s1 ZINC000419610210 563242997 /nfs/dbraw/zinc/24/29/97/563242997.db2.gz FSKYKFLBOVRJDX-NWDGAFQWSA-N 1 0 379.913 2.957 20 0 GFADRO C[C@H](C(=O)N[C@@H]1CCC[N@H+](CCCO)C1)c1ccc(Br)s1 ZINC000295392765 563245199 /nfs/dbraw/zinc/24/51/99/563245199.db2.gz HSXUAIGSBLQELL-NWDGAFQWSA-N 1 0 375.332 2.577 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+]CCC[C@@H]2CCCCO2)cc1Br ZINC000419681681 563245629 /nfs/dbraw/zinc/24/56/29/563245629.db2.gz ISPKGRDTODGOBV-ZDUSSCGKSA-N 1 0 391.331 2.535 20 0 GFADRO Cc1ccc(-n2nc(Br)cc2C(=O)N[C@H]2CC[NH2+][C@@H](C)C2)cc1 ZINC000278244860 563246603 /nfs/dbraw/zinc/24/66/03/563246603.db2.gz LXJOVCMDCQONKH-STQMWFEESA-N 1 0 377.286 2.814 20 0 GFADRO Cc1c2cc(Cl)ccc2sc1CNC(=O)C(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000419698858 563246716 /nfs/dbraw/zinc/24/67/16/563246716.db2.gz ANCVBZABSIBNPH-ZWNOBZJWSA-N 1 0 379.913 2.736 20 0 GFADRO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N[C@@H](C)c1ccc(Br)s1 ZINC000419700872 563246784 /nfs/dbraw/zinc/24/67/84/563246784.db2.gz CQYMZFAKSGUWTB-WDEREUQCSA-N 1 0 390.347 2.520 20 0 GFADRO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)Cc2cc[nH]c(=O)c2Br)C1 ZINC000278253667 563246952 /nfs/dbraw/zinc/24/69/52/563246952.db2.gz ZDTSMIPPCBRANT-KBPBESRZSA-N 1 0 398.345 2.967 20 0 GFADRO C[NH+](C)CCc1ccc(CNC(=O)Cc2cc[nH]c(=O)c2Br)cc1 ZINC000278282219 563248768 /nfs/dbraw/zinc/24/87/68/563248768.db2.gz GPJZRXHJGGSZES-UHFFFAOYSA-N 1 0 392.297 2.513 20 0 GFADRO Cn1ncc(Br)c1CNc1ccccc1C[NH+]1CCC(O)CC1 ZINC000278333724 563250348 /nfs/dbraw/zinc/25/03/48/563250348.db2.gz GAJPJCXLPJWHJF-UHFFFAOYSA-N 1 0 379.302 2.751 20 0 GFADRO O=C(Cc1ccc(I)cc1)NC1CC([NH+]2CCCCC2)C1 ZINC000370631695 563250780 /nfs/dbraw/zinc/25/07/80/563250780.db2.gz RSAUSEYECJDYIT-UHFFFAOYSA-N 1 0 398.288 2.967 20 0 GFADRO C[C@@H](NC(=O)NCC1([NH+](C)C)CCOCC1)c1nc(C(F)(F)F)cs1 ZINC000278355151 563251383 /nfs/dbraw/zinc/25/13/83/563251383.db2.gz AGIUAWIMGZXUTA-SNVBAGLBSA-N 1 0 380.436 2.633 20 0 GFADRO C[C@H]1C[N@H+](CCCNC(=O)Cc2cscc2Br)CCCO1 ZINC000295515366 563251702 /nfs/dbraw/zinc/25/17/02/563251702.db2.gz ZNJMNBLXFKEJLP-LBPRGKRZSA-N 1 0 375.332 2.670 20 0 GFADRO CCCN(Cc1ccccc1Br)C(=O)C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000419864643 563252603 /nfs/dbraw/zinc/25/26/03/563252603.db2.gz FVBUJHNRVSFLEO-GJZGRUSLSA-N 1 0 396.329 2.574 20 0 GFADRO [NH3+][C@@H]1CCC[C@H](NC(=O)C(=O)N(Cc2ccc(Cl)c(Cl)c2)C2CC2)C1 ZINC000419900771 563252684 /nfs/dbraw/zinc/25/26/84/563252684.db2.gz SYNULQWLEAITAE-OLZOCXBDSA-N 1 0 384.307 2.871 20 0 GFADRO Cn1ncc2c1CCC[C@H]2[NH2+][C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000278401606 563253815 /nfs/dbraw/zinc/25/38/15/563253815.db2.gz GRDBAKGUZMDOMB-HZPDHXFCSA-N 1 0 389.297 2.955 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000370737619 563254135 /nfs/dbraw/zinc/25/41/35/563254135.db2.gz HDFZMFBWIWZCTC-LSDHHAIUSA-N 1 0 394.313 2.747 20 0 GFADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NCc1cccc(Br)c1 ZINC000278417908 563254248 /nfs/dbraw/zinc/25/42/48/563254248.db2.gz IDFANIDIDCHDAW-CQSZACIVSA-N 1 0 396.329 2.844 20 0 GFADRO COc1cc(Cl)c(Br)cc1C(=O)NC[C@@](C)(O)CC[NH+](C)C ZINC000419970415 563254362 /nfs/dbraw/zinc/25/43/62/563254362.db2.gz BVKGOJGXRMOZFD-HNNXBMFYSA-N 1 0 393.709 2.544 20 0 GFADRO O=C(Cc1cc(F)ccc1Br)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000370778367 563254646 /nfs/dbraw/zinc/25/46/46/563254646.db2.gz FQHWWQXEXQBUNG-OAHLLOKOSA-N 1 0 385.277 2.500 20 0 GFADRO CC[C@H](NC(=O)[C@H](C)C[NH2+]C)c1noc(-c2cccc(Br)c2)n1 ZINC000370772545 563255016 /nfs/dbraw/zinc/25/50/16/563255016.db2.gz LFJLABFWIABKJH-MFKMUULPSA-N 1 0 381.274 2.922 20 0 GFADRO C[C@@H](CC[NH3+])NC(=O)C(=O)N(Cc1ccccc1Br)C1CCCC1 ZINC000420000977 563256153 /nfs/dbraw/zinc/25/61/53/563256153.db2.gz UURSWKXTPOVSPP-ZDUSSCGKSA-N 1 0 396.329 2.574 20 0 GFADRO COc1ccc(Br)c(C[NH2+][C@H]2CCCN(Cc3noc(C)n3)C2)c1 ZINC000370815282 563256679 /nfs/dbraw/zinc/25/66/79/563256679.db2.gz WFSOKMOCYBXADE-AWEZNQCLSA-N 1 0 395.301 2.903 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)C(=O)N(Cc2ccc(Cl)c(Cl)c2)C2CC2)CC[NH2+]1 ZINC000420128885 563258641 /nfs/dbraw/zinc/25/86/41/563258641.db2.gz QEFCDYSPSNTKFZ-YPMHNXCESA-N 1 0 384.307 2.741 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)N1CCC[C@@H]([C@@H](O)C(F)(F)F)C1)c1ccsc1 ZINC000278492421 563259057 /nfs/dbraw/zinc/25/90/57/563259057.db2.gz YYRJNHNEZXVEKN-MRVWCRGKSA-N 1 0 379.448 2.696 20 0 GFADRO COCc1nc2n(n1)C[C@@H]([NH2+][C@@H]1CCc3c1ccc(F)c3Br)CC2 ZINC000295714773 563259299 /nfs/dbraw/zinc/25/92/99/563259299.db2.gz NCVQIWLUUQWQFZ-IINYFYTJSA-N 1 0 395.276 2.918 20 0 GFADRO C[NH2+]C[C@@H](C)CNc1cnn(-c2ccc(C(F)(F)F)cn2)c(=O)c1Cl ZINC000420199884 563259466 /nfs/dbraw/zinc/25/94/66/563259466.db2.gz MQTXIIKCKJCNGE-SECBINFHSA-N 1 0 375.782 2.567 20 0 GFADRO CC(C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000420183696 563259849 /nfs/dbraw/zinc/25/98/49/563259849.db2.gz AATSOCLDKABYIJ-JSGCOSHPSA-N 1 0 386.323 2.974 20 0 GFADRO COC[C@@]1(CNc2nnc(-c3cc(Br)ccc3C)s2)CCC[NH2+]1 ZINC000420245268 563260895 /nfs/dbraw/zinc/26/08/95/563260895.db2.gz FFBGMJJGADYMIW-INIZCTEOSA-N 1 0 397.342 3.457 20 0 GFADRO OCC[C@]1([NH2+]Cc2ccc(Br)c(Br)c2)CCOC1 ZINC000278555559 563261262 /nfs/dbraw/zinc/26/12/62/563261262.db2.gz ZZRXUXQNCBRBOZ-ZDUSSCGKSA-N 1 0 379.092 2.843 20 0 GFADRO CN1CC[NH+](C2(CNC(=O)C[C@H]3CSCCS3)CCCCCC2)CC1 ZINC000370975902 563261422 /nfs/dbraw/zinc/26/14/22/563261422.db2.gz HYOYKMAUBIJEQQ-KRWDZBQOSA-N 1 0 385.643 2.682 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+]C[C@]1(O)CCO[C@H]1C ZINC000278624352 563263311 /nfs/dbraw/zinc/26/33/11/563263311.db2.gz KBSJAHGBVGCJIT-SUMWQHHRSA-N 1 0 380.286 2.573 20 0 GFADRO CC(C)(C)[C@H](C[NH3+])NS(=O)(=O)c1cc(Br)sc1Cl ZINC000420445349 563263537 /nfs/dbraw/zinc/26/35/37/563263537.db2.gz FKALZSFDGLRSCG-ZETCQYMHSA-N 1 0 375.741 2.816 20 0 GFADRO COc1cc(Br)c(S(=O)(=O)NC2(C)CC[NH2+]CC2)cc1Cl ZINC000420443694 563263559 /nfs/dbraw/zinc/26/35/59/563263559.db2.gz BKXIOGBYFOYMPL-UHFFFAOYSA-N 1 0 397.722 2.532 20 0 GFADRO O=S(=O)(c1cc(Cl)c(Br)cc1F)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000420455850 563263811 /nfs/dbraw/zinc/26/38/11/563263811.db2.gz YNLFKHWTBAGURS-QPUJVOFHSA-N 1 0 397.697 2.614 20 0 GFADRO O=S(=O)(c1ccc(Br)cc1F)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420462992 563264346 /nfs/dbraw/zinc/26/43/46/563264346.db2.gz NMQKEMYCPSCLHQ-RISCZKNCSA-N 1 0 391.306 2.741 20 0 GFADRO Cc1cc(S(=O)(=O)N2CCCC[C@H]2[C@H]2CC[NH2+]C2)sc1Br ZINC000420460391 563264430 /nfs/dbraw/zinc/26/44/30/563264430.db2.gz KXVVZWKPJDFOOC-RYUDHWBXSA-N 1 0 393.372 2.972 20 0 GFADRO Cc1cc(S(=O)(=O)N2CCCC[C@H]2[C@@H]2CC[NH2+]C2)ccc1Br ZINC000420466390 563264486 /nfs/dbraw/zinc/26/44/86/563264486.db2.gz RHBWMFXSPVLHKH-CJNGLKHVSA-N 1 0 387.343 2.910 20 0 GFADRO C[C@H]1OCC[C@@]1(O)C[NH2+]C1CCN(Cc2ccccc2Br)CC1 ZINC000278656195 563264696 /nfs/dbraw/zinc/26/46/96/563264696.db2.gz MSBKHCGDZJCXTB-RDTXWAMCSA-N 1 0 383.330 2.543 20 0 GFADRO COC(=O)c1coc([C@@H](C)[NH2+]C[C@@H](O)COc2ccccc2Br)c1 ZINC000278662904 563265536 /nfs/dbraw/zinc/26/55/36/563265536.db2.gz ITUJEXSAZUHNIF-DGCLKSJQSA-N 1 0 398.253 2.919 20 0 GFADRO CCC[NH+]1CCC(CNS(=O)(=O)c2cc(F)ccc2OC(F)F)CC1 ZINC000420662454 563270944 /nfs/dbraw/zinc/27/09/44/563270944.db2.gz JKKLJVBNFWHDMB-UHFFFAOYSA-N 1 0 380.432 2.827 20 0 GFADRO CN(Cc1ccc(Cl)s1)C(=O)CN1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000371299412 563271381 /nfs/dbraw/zinc/27/13/81/563271381.db2.gz GPVAQOQBIDSMJK-CWRNSKLLSA-N 1 0 385.961 2.543 20 0 GFADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)Cc1ccc(Br)cc1 ZINC000278824634 563272396 /nfs/dbraw/zinc/27/23/96/563272396.db2.gz IZDCIFRSMDUVSA-AWEZNQCLSA-N 1 0 381.314 2.703 20 0 GFADRO C[C@@]1(C[C@H]2CCC[N@@H+]2Cc2cccc(Br)c2F)NC(=O)NC1=O ZINC000296054706 563272862 /nfs/dbraw/zinc/27/28/62/563272862.db2.gz OXJLSCKQDVSNKW-BZNIZROVSA-N 1 0 384.249 2.541 20 0 GFADRO C[C@@H](CN1CCN(c2ccc(=O)[nH]n2)CC1)c1cccc(Br)c1 ZINC000371337762 563273033 /nfs/dbraw/zinc/27/30/33/563273033.db2.gz WDYBPMBDWWOQKO-ZDUSSCGKSA-N 1 0 377.286 2.870 20 0 GFADRO CNS(=O)(=O)c1ccc(NC[C@H]2CC[N@H+](C)[C@@H]2c2cccs2)c(F)c1 ZINC000371357175 563274145 /nfs/dbraw/zinc/27/41/45/563274145.db2.gz HHIFGPLGTLBUBJ-PXAZEXFGSA-N 1 0 383.514 2.900 20 0 GFADRO C[C@H]1CN(C(=O)c2cc(Cl)c(N)c(Cl)c2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000371362825 563274467 /nfs/dbraw/zinc/27/44/67/563274467.db2.gz XZISJVKJIYTHRX-BLLLJJGKSA-N 1 0 385.339 2.674 20 0 GFADRO CC(C)C(=O)NCCN(C)C(=O)C1CC[NH+](Cc2ccc(Cl)s2)CC1 ZINC000371366039 563275041 /nfs/dbraw/zinc/27/50/41/563275041.db2.gz ITZXSWVNOVBPRE-UHFFFAOYSA-N 1 0 385.961 2.844 20 0 GFADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)Nc1cccnc1Br ZINC000278892619 563275535 /nfs/dbraw/zinc/27/55/35/563275535.db2.gz QNRFBVIYLBYORQ-GFCCVEGCSA-N 1 0 383.290 2.561 20 0 GFADRO Cc1c([C@H](C)[NH2+]C[C@]2(O)CCO[C@@H]2C)nnn1-c1cccc(Br)c1 ZINC000278916004 563275831 /nfs/dbraw/zinc/27/58/31/563275831.db2.gz WDLVFKJEQASRJY-XTQGRXLLSA-N 1 0 395.301 2.529 20 0 GFADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+]CC(C)(C)COC ZINC000296133598 563276217 /nfs/dbraw/zinc/27/62/17/563276217.db2.gz UQIXTYRKMPIWBX-GFCCVEGCSA-N 1 0 387.318 2.725 20 0 GFADRO C[N@@H+]1CCC[C@@H]2CN(S(=O)(=O)c3cc(F)ccc3OC(F)F)CC[C@@H]21 ZINC000420705065 563276521 /nfs/dbraw/zinc/27/65/21/563276521.db2.gz WICUNAZDOBZNGS-YPMHNXCESA-N 1 0 378.416 2.532 20 0 GFADRO CCN(CCC[NH+]1CCCC1)S(=O)(=O)c1cc(F)ccc1OC(F)F ZINC000420718280 563278659 /nfs/dbraw/zinc/27/86/59/563278659.db2.gz FSDKLNRDWVYQKI-UHFFFAOYSA-N 1 0 380.432 2.924 20 0 GFADRO C[NH+](C)C1CCC(NS(=O)(=O)c2cc(Br)ccc2F)CC1 ZINC000420722724 563279514 /nfs/dbraw/zinc/27/95/14/563279514.db2.gz FZYOSCZJQMWBLV-UHFFFAOYSA-N 1 0 379.295 2.739 20 0 GFADRO CC(C)(CN[C@@H]1CCn2ccnc21)S(=O)(=O)c1ccc(Br)cc1 ZINC000296237530 563280108 /nfs/dbraw/zinc/28/01/08/563280108.db2.gz APBNZKQLOSRGAE-CQSZACIVSA-N 1 0 398.326 2.933 20 0 GFADRO COC[C@H]([NH2+]CC(=O)Nc1ccc(OC(F)F)c(Cl)c1)[C@H]1CCCO1 ZINC000279032812 563281295 /nfs/dbraw/zinc/28/12/95/563281295.db2.gz ICVBAZWKYAXKKQ-GXTWGEPZSA-N 1 0 378.803 2.664 20 0 GFADRO CN(C[C@H]1CCC[N@@H+]1C)S(=O)(=O)c1cc(Cl)ccc1Br ZINC000420742148 563281522 /nfs/dbraw/zinc/28/15/22/563281522.db2.gz UFBYAQLROUYKKW-LLVKDONJSA-N 1 0 381.723 2.817 20 0 GFADRO COc1ccc([C@@H](C)NC(=O)c2cc([C@H]3CC[NH2+]C3)n[nH]2)cc1Br ZINC000279080646 563283327 /nfs/dbraw/zinc/28/33/27/563283327.db2.gz VBIRCNCNASVZQD-PWSUYJOCSA-N 1 0 393.285 2.749 20 0 GFADRO O=C(NC1CC[NH+](Cc2ccsc2)CC1)[C@@H]1CCCN1c1nccs1 ZINC000371663292 563284551 /nfs/dbraw/zinc/28/45/51/563284551.db2.gz HSBOMSXUKJNDAO-INIZCTEOSA-N 1 0 376.551 2.954 20 0 GFADRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)N[C@@H]1CCN(c2ccccc2Br)C1 ZINC000420787150 563285484 /nfs/dbraw/zinc/28/54/84/563285484.db2.gz JLYFIEPJXPISIJ-CABCVRRESA-N 1 0 395.345 2.763 20 0 GFADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+]Cc1ccc(C)nc1 ZINC000296395253 563285687 /nfs/dbraw/zinc/28/56/87/563285687.db2.gz LFWQFJMJPBFEOY-CYBMUJFWSA-N 1 0 392.297 2.956 20 0 GFADRO CC(=O)Nc1cccc(OCC[NH2+]Cc2c(Br)c(C)nn2C)c1 ZINC000279147081 563285731 /nfs/dbraw/zinc/28/57/31/563285731.db2.gz OLZCTKRPTVMNML-UHFFFAOYSA-N 1 0 381.274 2.618 20 0 GFADRO CC[C@H]1CCC[C@@H]1[NH2+]CC(=O)NCC(=O)Nc1ccccc1Br ZINC000279245925 563289103 /nfs/dbraw/zinc/28/91/03/563289103.db2.gz KQNLMIBBWZTYMB-JSGCOSHPSA-N 1 0 382.302 2.672 20 0 GFADRO O=C(NCC[NH+]1CCC(O)CC1)Nc1ccc(Br)cc1Cl ZINC000296493457 563289674 /nfs/dbraw/zinc/28/96/74/563289674.db2.gz YGCGABFGFMRAHF-UHFFFAOYSA-N 1 0 376.682 2.681 20 0 GFADRO O=C(Nc1ccc(Br)cc1)[C@H]1CCC[N@@H+]1CC[C@@H]1CCOC1=O ZINC000371892055 563290447 /nfs/dbraw/zinc/29/04/47/563290447.db2.gz QQKVASCOQWKCTE-IUODEOHRSA-N 1 0 381.270 2.805 20 0 GFADRO C[C@@H]1C[C@H]([NH+]2CCN(C(=O)COc3ccc(Br)cc3)CC2)CCO1 ZINC000420918664 563290826 /nfs/dbraw/zinc/29/08/26/563290826.db2.gz XAHASVGRMIAEKU-GDBMZVCRSA-N 1 0 397.313 2.540 20 0 GFADRO C[C@@H]1C[C@H](CO)C[N@H+](C[C@@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000420947075 563290991 /nfs/dbraw/zinc/29/09/91/563290991.db2.gz SUVIZGJCGYRXCF-MBNYWOFBSA-N 1 0 392.721 2.793 20 0 GFADRO Brc1cnn(Cc2noc([C@@H]3CCCN(c4ccccn4)C3)n2)c1 ZINC000371939851 563292127 /nfs/dbraw/zinc/29/21/27/563292127.db2.gz UTNSJHICXGAMSI-GFCCVEGCSA-N 1 0 389.257 2.856 20 0 GFADRO C[C@@H]([NH2+]C1CCN(Cc2cscn2)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000371978173 563292485 /nfs/dbraw/zinc/29/24/85/563292485.db2.gz JAXGVTAUYARWLH-CQSZACIVSA-N 1 0 379.551 2.862 20 0 GFADRO CC(C)C[C@@H]([NH2+]C[C@@]1(O)CCS(=O)(=O)C1)c1cccc(C(F)(F)F)c1 ZINC000296565964 563292603 /nfs/dbraw/zinc/29/26/03/563292603.db2.gz SONOTHQMEBMMPI-CVEARBPZSA-N 1 0 379.444 2.932 20 0 GFADRO COC(=O)CNC(=O)CC[N@@H+]1CCCC[C@H]1Cc1cccc(Br)c1 ZINC000421034096 563294052 /nfs/dbraw/zinc/29/40/52/563294052.db2.gz GNUUKECDPFOBCX-INIZCTEOSA-N 1 0 397.313 2.525 20 0 GFADRO COC1([C@H](C)[NH2+]CC(=O)Nc2nc(-c3cccs3)cs2)CCOCC1 ZINC000421027566 563294127 /nfs/dbraw/zinc/29/41/27/563294127.db2.gz GRRCCKHJKIHSFH-LBPRGKRZSA-N 1 0 381.523 2.984 20 0 GFADRO CC(C)(CNC(=O)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O)c1cccc(Br)c1 ZINC000372089081 563295464 /nfs/dbraw/zinc/29/54/64/563295464.db2.gz RUGNXYVVWYWHEJ-AGUYFDCRSA-N 1 0 393.325 2.658 20 0 GFADRO CCC[NH+](CCC)CCCNC(=O)NCc1ccc(S(=O)(=O)CC)s1 ZINC000279557725 563300849 /nfs/dbraw/zinc/30/08/49/563300849.db2.gz ONOKCNAHSHOXAL-UHFFFAOYSA-N 1 0 389.587 2.853 20 0 GFADRO O=C(NCCCC[NH+]1CCOCC1)c1c(F)ccc(Br)c1F ZINC000279561804 563300904 /nfs/dbraw/zinc/30/09/04/563300904.db2.gz RYSSDFUXVBOLCJ-UHFFFAOYSA-N 1 0 377.229 2.570 20 0 GFADRO COC(=O)C[C@@H]1CC[C@H]([NH2+][C@H](C(N)=O)c2cccc(Br)c2)[C@H]1C ZINC000279609927 563302876 /nfs/dbraw/zinc/30/28/76/563302876.db2.gz FMKJTNUVNYSNKS-KHJVZFFJSA-N 1 0 383.286 2.543 20 0 GFADRO CN(C(=O)[C@@H]1CCCN1c1ncc(C(F)(F)F)cc1Cl)[C@@H]1CC[NH2+]C1 ZINC000372399285 563304725 /nfs/dbraw/zinc/30/47/25/563304725.db2.gz GSGHUYIFIPWLCH-YPMHNXCESA-N 1 0 376.810 2.543 20 0 GFADRO C[NH+](C)C1CCC(NC(=O)C(=O)Nc2c(F)cccc2Br)CC1 ZINC000421287071 563305285 /nfs/dbraw/zinc/30/52/85/563305285.db2.gz HSMHFQXWBAEOIR-UHFFFAOYSA-N 1 0 386.265 2.516 20 0 GFADRO C[C@H](NC(=O)N1CCC[N@H+](CC(C)(C)O)CC1)c1ccccc1Br ZINC000372492633 563308732 /nfs/dbraw/zinc/30/87/32/563308732.db2.gz SDTQXINPOWHPER-AWEZNQCLSA-N 1 0 398.345 2.998 20 0 GFADRO CC(C)(O)C[N@@H+]1CCCN(C[C@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000372548917 563310478 /nfs/dbraw/zinc/31/04/78/563310478.db2.gz WFKMJJIBJUQVSS-HNNXBMFYSA-N 1 0 391.339 2.512 20 0 GFADRO CC[C@H](C)[NH+]1CCN(C(=O)Nc2ccc(NS(C)(=O)=O)c(Cl)c2)CC1 ZINC000296982675 563310746 /nfs/dbraw/zinc/31/07/46/563310746.db2.gz TXHTVLUJXCPGOI-LBPRGKRZSA-N 1 0 388.921 2.660 20 0 GFADRO CN1CCC[C@]2(CC[N@H+](C[C@H](O)COc3ccc(Cl)cc3Cl)C2)C1=O ZINC000372558967 563310833 /nfs/dbraw/zinc/31/08/33/563310833.db2.gz XAOMNCYARNZLIC-KBXCAEBGSA-N 1 0 387.307 2.677 20 0 GFADRO CC[NH+](CC)CCN(C(=O)c1cccc(Cl)c1C)[C@@H]1CCS(=O)(=O)C1 ZINC000279799831 563310972 /nfs/dbraw/zinc/31/09/72/563310972.db2.gz IHPZLENZNVWOEA-OAHLLOKOSA-N 1 0 386.945 2.620 20 0 GFADRO C[C@H](CO)[N@@H+]1CCCN(C(=O)CCCc2ccc(Br)s2)CC1 ZINC000372725030 563315373 /nfs/dbraw/zinc/31/53/73/563315373.db2.gz FAKVWBDXSUWPNR-CYBMUJFWSA-N 1 0 389.359 2.748 20 0 GFADRO Cc1nc2ccc(Br)cn2c1C(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000280000175 563318200 /nfs/dbraw/zinc/31/82/00/563318200.db2.gz DECYBHQZNYWKTI-SMDDNHRTSA-N 1 0 379.302 2.817 20 0 GFADRO C[NH+](C)C1CCC(NC(=O)c2csc(I)c2)CC1 ZINC000421684135 563319333 /nfs/dbraw/zinc/31/93/33/563319333.db2.gz IOVHQXGLLLQSJP-UHFFFAOYSA-N 1 0 378.279 2.955 20 0 GFADRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)c1ccc(I)cc1F ZINC000421710797 563319390 /nfs/dbraw/zinc/31/93/90/563319390.db2.gz MLHXKHOAVPQTLX-LLVKDONJSA-N 1 0 376.213 2.597 20 0 GFADRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)c1nn(-c2ccc(F)cc2)cc1Br ZINC000421703885 563319458 /nfs/dbraw/zinc/31/94/58/563319458.db2.gz NGQMZTHGBYOOIU-AWEZNQCLSA-N 1 0 395.276 2.940 20 0 GFADRO CSc1ccc([C@@H](CNC(=O)NCC[S@](=O)C(C)(C)C)N(C)C)cc1 ZINC000297284661 563322066 /nfs/dbraw/zinc/32/20/66/563322066.db2.gz PPNDZCCONLYTRE-CPJLOUKISA-N 1 0 385.599 2.858 20 0 GFADRO CC[C@@H]1C[C@H]([NH2+][C@@H](C)c2ccc(Br)c(S(N)(=O)=O)c2)CCO1 ZINC000421861038 563323346 /nfs/dbraw/zinc/32/33/46/563323346.db2.gz SWVJJDIEZYCKGL-CYZMBNFOSA-N 1 0 391.331 2.705 20 0 GFADRO CC[N@@H+]1CCCN(C(=O)C[C@@H](NC(C)=O)c2ccc(Br)cc2)CC1 ZINC000372945950 563323676 /nfs/dbraw/zinc/32/36/76/563323676.db2.gz IKWJUENQIYLCFK-QGZVFWFLSA-N 1 0 396.329 2.571 20 0 GFADRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)Nc1nc2cc(Br)ccn2n1 ZINC000297355365 563324230 /nfs/dbraw/zinc/32/42/30/563324230.db2.gz QOAXISVAJHUYFM-DGCLKSJQSA-N 1 0 393.289 2.582 20 0 GFADRO CS(=O)(=O)c1ccc(C[NH2+]Cc2c[nH]nc2-c2cccnc2)cc1Cl ZINC000373032020 563326117 /nfs/dbraw/zinc/32/61/17/563326117.db2.gz BVEDSGDBOPKSRB-UHFFFAOYSA-N 1 0 376.869 2.818 20 0 GFADRO Cn1nc(Br)cc1C(=O)N1C[C@H]2C[N@H+](C)[C@H](c3ccccc3)[C@@H]2C1 ZINC000373038848 563327291 /nfs/dbraw/zinc/32/72/91/563327291.db2.gz XEJKEGVEKSSWKR-CKEIUWERSA-N 1 0 389.297 2.558 20 0 GFADRO C[C@H]([NH2+]CCCc1cnn(C)c1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000280265651 563329720 /nfs/dbraw/zinc/32/97/20/563329720.db2.gz XMVABIWOHJYVAM-JTQLQIEISA-N 1 0 391.324 2.658 20 0 GFADRO C[C@@H](CNC(=O)N(C)C[C@@H](O)c1ccccc1Br)[N@H+](C)C1CC1 ZINC000297568582 563329710 /nfs/dbraw/zinc/32/97/10/563329710.db2.gz GYHLWRKRCIKIBH-BLLLJJGKSA-N 1 0 384.318 2.607 20 0 GFADRO COC[C@H](C)OC[C@H](O)C[N@H+](C)[C@H]1CCOc2ccc(Br)cc21 ZINC000373174431 563331240 /nfs/dbraw/zinc/33/12/40/563331240.db2.gz VYRUPZXAXPUMND-BJJXKVORSA-N 1 0 388.302 2.617 20 0 GFADRO CCOCCOc1ccc(Br)cc1C[N@@H+]1CC[C@](C)(C(N)=O)C1 ZINC000280346786 563332549 /nfs/dbraw/zinc/33/25/49/563332549.db2.gz SMAGUXAWOZLTQC-KRWDZBQOSA-N 1 0 385.302 2.562 20 0 GFADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCc2c1cccc2Br ZINC000422171710 563332691 /nfs/dbraw/zinc/33/26/91/563332691.db2.gz WTNSIMQPLOCCOU-ZDUSSCGKSA-N 1 0 382.302 2.632 20 0 GFADRO Cc1ccc(NC(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)c(Br)n1 ZINC000373294932 563334183 /nfs/dbraw/zinc/33/41/83/563334183.db2.gz TYFMPWGLSIKVAZ-UHFFFAOYSA-N 1 0 393.289 3.260 20 0 GFADRO CC[C@@H]([NH2+]Cc1ccnc(OC)c1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000280389574 563334986 /nfs/dbraw/zinc/33/49/86/563334986.db2.gz WQHDTHZQFYPDPW-OAHLLOKOSA-N 1 0 383.901 2.893 20 0 GFADRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)NCCCc1ccc(Cl)cc1Cl ZINC000422392729 563338316 /nfs/dbraw/zinc/33/83/16/563338316.db2.gz BJDIRWYVPMBMJW-OAHLLOKOSA-N 1 0 386.323 2.595 20 0 GFADRO O=C(CCOCC(F)(F)F)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000373480125 563339595 /nfs/dbraw/zinc/33/95/95/563339595.db2.gz MXANFQRWJYLWOH-UHFFFAOYSA-N 1 0 376.341 2.877 20 0 GFADRO CC(C)C[C@H](CNC(=O)C(=O)Nc1cc(Cl)c(N)c(Cl)c1)[NH+](C)C ZINC000297943108 563340734 /nfs/dbraw/zinc/34/07/34/563340734.db2.gz SCZCOWFXTRXAIH-LLVKDONJSA-N 1 0 375.300 2.607 20 0 GFADRO CS(=O)(=O)Nc1c[nH]nc1[C@H]1CCCN(c2ccnc3ccsc32)C1 ZINC000373552000 563341681 /nfs/dbraw/zinc/34/16/81/563341681.db2.gz MXVWAFBAPMSPDB-NSHDSACASA-N 1 0 377.495 2.775 20 0 GFADRO CCN(C[C@@H](O)C(F)(F)F)C(=O)NC1CC[NH+](Cc2ccsc2)CC1 ZINC000373555418 563342159 /nfs/dbraw/zinc/34/21/59/563342159.db2.gz NUIDQJHDHNBVES-CQSZACIVSA-N 1 0 379.448 2.667 20 0 GFADRO O=C(c1cnnn1-c1c(Cl)cccc1Cl)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000373552401 563342461 /nfs/dbraw/zinc/34/24/61/563342461.db2.gz QUVLURKVVGUFTK-GFCCVEGCSA-N 1 0 380.279 2.884 20 0 GFADRO O=S(=O)(c1c(Cl)cccc1Br)N1CCC2(CC[NH2+]2)CC1 ZINC000422552372 563342789 /nfs/dbraw/zinc/34/27/89/563342789.db2.gz HARJVFZGSLLILL-UHFFFAOYSA-N 1 0 379.707 2.619 20 0 GFADRO C[C@@H]1C[C@@H](C)N(S(=O)(=O)c2ccc(F)c(Br)c2)C[C@H]1C[NH3+] ZINC000422555503 563342841 /nfs/dbraw/zinc/34/28/41/563342841.db2.gz QDOYCWHWJKHMIA-GMTAPVOTSA-N 1 0 379.295 2.582 20 0 GFADRO CC(C)[NH+]1CCC(O)(CNS(=O)(=O)c2c(Cl)cc(F)cc2Cl)CC1 ZINC000280551616 563343360 /nfs/dbraw/zinc/34/33/60/563343360.db2.gz JDHDXRPBZBKESA-UHFFFAOYSA-N 1 0 399.315 2.646 20 0 GFADRO COCCC[N@@H+]1CCCN(C(=O)Cc2ccc(F)cc2Br)CC1 ZINC000373601358 563343624 /nfs/dbraw/zinc/34/36/24/563343624.db2.gz MZGPWZUSTOEABW-UHFFFAOYSA-N 1 0 387.293 2.702 20 0 GFADRO C[NH+]1CCC(NC(=O)COc2cccc(Br)c2)(C(F)(F)F)CC1 ZINC000373669667 563346657 /nfs/dbraw/zinc/34/66/57/563346657.db2.gz ZEABRIJKBGXPBG-UHFFFAOYSA-N 1 0 395.219 2.971 20 0 GFADRO CC[C@H](C)[NH+]1CCN(C(=O)NCCCCn2cc(Br)cn2)CC1 ZINC000298279714 563349631 /nfs/dbraw/zinc/34/96/31/563349631.db2.gz MODDQZDKARSHHM-AWEZNQCLSA-N 1 0 386.338 2.552 20 0 GFADRO COc1cc(Br)c(CN[C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)cc1OC ZINC000422948575 563351282 /nfs/dbraw/zinc/35/12/82/563351282.db2.gz SNKITSVVSGFMEA-CWRNSKLLSA-N 1 0 399.329 2.713 20 0 GFADRO C[C@H](C[C@H]1COCCN1)[NH2+]CC1(c2cccc(Br)c2)CCOCC1 ZINC000422944536 563351665 /nfs/dbraw/zinc/35/16/65/563351665.db2.gz MLFRYUXSMHKCCH-QAPCUYQASA-N 1 0 397.357 2.854 20 0 GFADRO CCN(C)C(=O)CC[NH2+][C@H](CO)c1ccc(Br)cc1C(F)(F)F ZINC000280747122 563352511 /nfs/dbraw/zinc/35/25/11/563352511.db2.gz MYZNRWABVAIIND-CYBMUJFWSA-N 1 0 397.235 2.959 20 0 GFADRO C[C@H]([NH2+]CC(C)(C)CCCO)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000280750796 563352718 /nfs/dbraw/zinc/35/27/18/563352718.db2.gz PVFPHKZVLMYCEB-NSHDSACASA-N 1 0 393.347 2.546 20 0 GFADRO CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000423012186 563353451 /nfs/dbraw/zinc/35/34/51/563353451.db2.gz KFRMFJLVXQVWPC-AWEZNQCLSA-N 1 0 383.945 2.598 20 0 GFADRO CC1(C)CCC[NH2+][C@H]1C(=O)NCCC(=O)Nc1ccc(Br)cc1 ZINC000423051588 563353626 /nfs/dbraw/zinc/35/36/26/563353626.db2.gz OQSPCLTXQFOCGA-HNNXBMFYSA-N 1 0 382.302 2.672 20 0 GFADRO O=C(NCc1ccc(F)cc1Br)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000423056891 563353702 /nfs/dbraw/zinc/35/37/02/563353702.db2.gz YYOFZIDSZVKOAJ-AWEZNQCLSA-N 1 0 381.249 2.639 20 0 GFADRO [NH3+]CCCn1cc(C(=O)N[C@H](c2ccc(Br)cc2)C2CCC2)nn1 ZINC000423051514 563354037 /nfs/dbraw/zinc/35/40/37/563354037.db2.gz NQRAOUJFNZLQOT-INIZCTEOSA-N 1 0 392.301 2.661 20 0 GFADRO C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000423080452 563354430 /nfs/dbraw/zinc/35/44/30/563354430.db2.gz BPWUMWGTRHTFBK-JHJVBQTASA-N 1 0 384.307 2.581 20 0 GFADRO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NCc1ccc(Cl)cc1I ZINC000423091750 563354437 /nfs/dbraw/zinc/35/44/37/563354437.db2.gz YPRBQYOXIDGXIN-WFBYXXMGSA-N 1 0 394.684 2.787 20 0 GFADRO CC(C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000423169178 563357776 /nfs/dbraw/zinc/35/77/76/563357776.db2.gz VOWWLJPTLZUQKB-TZMCWYRMSA-N 1 0 386.323 2.926 20 0 GFADRO COc1ccc(Br)cc1C[C@@H](CO)CN[C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000423161692 563357916 /nfs/dbraw/zinc/35/79/16/563357916.db2.gz OCKQVIVGUOYHPS-CPUCHLNUSA-N 1 0 385.346 2.729 20 0 GFADRO COC[C@H]([NH2+]CCC(=O)Nc1sccc1C(N)=O)c1ccc(Cl)cc1 ZINC000298517164 563358179 /nfs/dbraw/zinc/35/81/79/563358179.db2.gz LBPSUYBVQITKSP-AWEZNQCLSA-N 1 0 381.885 2.806 20 0 GFADRO CC1=CCC[N@@H+](CCC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2Cl)C1 ZINC000280873277 563358663 /nfs/dbraw/zinc/35/86/63/563358663.db2.gz OHIBEDHUJUJEKW-UHFFFAOYSA-N 1 0 385.917 2.571 20 0 GFADRO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N1CCc2c(Cl)c(Cl)ccc2C1 ZINC000423237219 563359319 /nfs/dbraw/zinc/35/93/19/563359319.db2.gz PRAQSHVRKFROHD-OAHLLOKOSA-N 1 0 386.323 2.710 20 0 GFADRO O=C(CC[NH2+][C@@H]1CCC(=O)NC12CCC2)Nc1ccccc1Br ZINC000298574878 563360166 /nfs/dbraw/zinc/36/01/66/563360166.db2.gz QQVVNKQEODPEHW-CQSZACIVSA-N 1 0 380.286 2.569 20 0 GFADRO COC[C@H]([NH2+]CCC(=O)Nc1ccc(Br)cc1F)[C@@H]1CCCO1 ZINC000298695523 563364079 /nfs/dbraw/zinc/36/40/79/563364079.db2.gz ZPWMWDAPSOKDHX-GJZGRUSLSA-N 1 0 389.265 2.700 20 0 GFADRO Cc1ccc(C(=O)NC2CCC(N3CC[NH2+]CC3)CC2)cc1Br ZINC000423942856 563365115 /nfs/dbraw/zinc/36/51/15/563365115.db2.gz BUVIQVNOUGGYHJ-UHFFFAOYSA-N 1 0 380.330 2.704 20 0 GFADRO C[NH+](C)CC1(NC(=O)c2c(F)cccc2I)CCC1 ZINC000281064840 563365148 /nfs/dbraw/zinc/36/51/48/563365148.db2.gz LXCJIHALORDCMU-UHFFFAOYSA-N 1 0 376.213 2.644 20 0 GFADRO CNC(=O)[C@]1(C)CC[N@H+](Cc2nc(-c3ccc(Br)cc3)c[nH]2)C1 ZINC000281078408 563365597 /nfs/dbraw/zinc/36/55/97/563365597.db2.gz JBVOQQMLVDCYHY-QGZVFWFLSA-N 1 0 377.286 2.797 20 0 GFADRO C[C@H]1CN(C(=O)c2cccn2-c2ccc(I)cc2)C[C@@H]1[NH3+] ZINC000423967414 563365646 /nfs/dbraw/zinc/36/56/46/563365646.db2.gz XKXUKBPQCRGGML-FZMZJTMJSA-N 1 0 395.244 2.501 20 0 GFADRO CN(CC[NH3+])C(=O)c1cc2cc(Br)cc(Br)c2o1 ZINC000423999961 563366964 /nfs/dbraw/zinc/36/69/64/563366964.db2.gz DLWNOLIRCWPKBP-UHFFFAOYSA-N 1 0 376.048 2.989 20 0 GFADRO Cc1cc(C(=O)N[C@H]2CCC[NH2+][C@H]2C)nn1-c1ccc(Br)cc1 ZINC000424042274 563367811 /nfs/dbraw/zinc/36/78/11/563367811.db2.gz BOIGRZYOGGLWIL-WFASDCNBSA-N 1 0 377.286 2.814 20 0 GFADRO CC[NH+]1CCN(CCCNC(=O)CCOc2ccc(Cl)cc2Cl)CC1 ZINC000298974637 563372272 /nfs/dbraw/zinc/37/22/72/563372272.db2.gz FCFKUCNMLJKDGH-UHFFFAOYSA-N 1 0 388.339 2.906 20 0 GFADRO C[C@@H]1CC2(CN1C(=O)[C@H]1COc3ccc(Br)cc31)CC[NH2+]CC2 ZINC000424232261 563374260 /nfs/dbraw/zinc/37/42/60/563374260.db2.gz HCYKZWKDRITTCD-DOMZBBRYSA-N 1 0 379.298 2.916 20 0 GFADRO C[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424229497 563374590 /nfs/dbraw/zinc/37/45/90/563374590.db2.gz XKALIESAVYFXMZ-XQAQDONZSA-N 1 0 381.307 2.859 20 0 GFADRO O=C(C[C@H]1Sc2ccc(Cl)cc2NC1=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000374503323 563374854 /nfs/dbraw/zinc/37/48/54/563374854.db2.gz HSUDNJIGYVJBCP-OAHLLOKOSA-N 1 0 379.913 2.745 20 0 GFADRO Cc1nc(N[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)sc1S(N)(=O)=O ZINC000374538508 563375368 /nfs/dbraw/zinc/37/53/68/563375368.db2.gz RDRHWOFGWQJHSX-DOMZBBRYSA-N 1 0 380.539 2.564 20 0 GFADRO Cc1nc2ccc(Br)cn2c1C(=O)N[C@H](C)C1=CC[N@H+](C)CC1 ZINC000281400942 563376046 /nfs/dbraw/zinc/37/60/46/563376046.db2.gz ZLCKDSDYLJMJNX-LLVKDONJSA-N 1 0 377.286 2.785 20 0 GFADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)NC[C@@H]1CCOC1 ZINC000299179392 563377164 /nfs/dbraw/zinc/37/71/64/563377164.db2.gz PPAOQJGRGBCJOC-HNNXBMFYSA-N 1 0 384.318 2.559 20 0 GFADRO O=C(NCCCC[NH+]1CCOCC1)NCc1nc2cc(Cl)ccc2s1 ZINC000299254550 563379298 /nfs/dbraw/zinc/37/92/98/563379298.db2.gz QVMUNKPFZOIRBF-UHFFFAOYSA-N 1 0 382.917 2.861 20 0 GFADRO [NH3+]C1(CNC(=O)NCc2cc(Cl)cc(I)c2)CCC1 ZINC000424473602 563380194 /nfs/dbraw/zinc/38/01/94/563380194.db2.gz HFSCFANGLLVPDY-UHFFFAOYSA-N 1 0 393.656 2.625 20 0 GFADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)Nc2nc(C(F)(F)F)cs2)CC1 ZINC000299276437 563380078 /nfs/dbraw/zinc/38/00/78/563380078.db2.gz RPFSJEWEOARVRX-NSHDSACASA-N 1 0 379.452 2.557 20 0 GFADRO C[NH+]1CCN(c2ncccc2CNC(=O)c2ccccc2Br)CC1 ZINC000299264990 563380218 /nfs/dbraw/zinc/38/02/18/563380218.db2.gz JNXSOTADUXJWKH-UHFFFAOYSA-N 1 0 389.297 2.526 20 0 GFADRO CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2cc(Cl)c(Cl)cc2F)C1 ZINC000281606438 563380541 /nfs/dbraw/zinc/38/05/41/563380541.db2.gz BSFBXHXTPVYDQE-JTQLQIEISA-N 1 0 376.259 2.919 20 0 GFADRO COC(=O)C1=C(C)O[C@@H](C[NH+]2CCC(n3cc(Br)cn3)CC2)C1 ZINC000374892296 563384736 /nfs/dbraw/zinc/38/47/36/563384736.db2.gz JSQRXLOSVYYWEB-CQSZACIVSA-N 1 0 384.274 2.518 20 0 GFADRO CS(=O)(=O)N1CCC[C@H](C[NH2+][C@@H](c2ccc(Cl)cc2)[C@@H]2CCOC2)C1 ZINC000374872520 563384806 /nfs/dbraw/zinc/38/48/06/563384806.db2.gz FXXKIJQNPOPHDK-KYJSFNMBSA-N 1 0 386.945 2.679 20 0 GFADRO Cc1oc(Br)cc1C(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000424665457 563386448 /nfs/dbraw/zinc/38/64/48/563386448.db2.gz QQBRGILAJJBTFT-AWEZNQCLSA-N 1 0 384.318 2.593 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2cc(Cl)c(N)c(Cl)c2)[C@H](C)C1 ZINC000299725681 563390591 /nfs/dbraw/zinc/39/05/91/563390591.db2.gz UMFKNKBUMIWKON-QMTHXVAHSA-N 1 0 387.311 2.703 20 0 GFADRO Cc1oc(Br)cc1C(=O)NC[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1 ZINC000424761107 563390644 /nfs/dbraw/zinc/39/06/44/563390644.db2.gz XMUUAHBOFBSLNY-HUUCEWRRSA-N 1 0 393.281 2.716 20 0 GFADRO Cc1c(Br)cccc1C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000281988722 563393043 /nfs/dbraw/zinc/39/30/43/563393043.db2.gz BDTCZGDVJYVNGP-HNNXBMFYSA-N 1 0 381.314 2.942 20 0 GFADRO [NH3+]CC[C@H]1CCCN(C(=O)c2cc(F)ccc2I)C1 ZINC000282096598 563397543 /nfs/dbraw/zinc/39/75/43/563397543.db2.gz YZXUNWDYTWYBKZ-SNVBAGLBSA-N 1 0 376.213 2.631 20 0 GFADRO Cc1sc2ncnc(SCC(=O)N3CCC[C@H]4C[N@@H+](C)C[C@H]43)c2c1C ZINC000425053325 563402506 /nfs/dbraw/zinc/40/25/06/563402506.db2.gz XXNZBUMTQNRERQ-UONOGXRCSA-N 1 0 376.551 2.953 20 0 GFADRO COc1cc(C(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)cc(OC)c1Br ZINC000425051946 563402819 /nfs/dbraw/zinc/40/28/19/563402819.db2.gz UTSJOEBGCQCUTB-WCQYABFASA-N 1 0 383.286 2.633 20 0 GFADRO CN(CC[NH+](C)C)c1ccc(Br)cc1NC(=O)C1=CCOCC1 ZINC000425095845 563403633 /nfs/dbraw/zinc/40/36/33/563403633.db2.gz COJFPVNEKJBGPB-UHFFFAOYSA-N 1 0 382.302 2.732 20 0 GFADRO CCn1ccnc1C(=O)Nc1cc(Br)ccc1N(C)CC[NH+](C)C ZINC000425100807 563404327 /nfs/dbraw/zinc/40/43/27/563404327.db2.gz WBDWROWEETWPHM-UHFFFAOYSA-N 1 0 394.317 2.916 20 0 GFADRO CN(CC[NH+](C)C)c1ccc(Br)cc1NC(=O)C1CC(C)(O)C1 ZINC000425099021 563404651 /nfs/dbraw/zinc/40/46/51/563404651.db2.gz NNGGZSJLITYXDD-UHFFFAOYSA-N 1 0 384.318 2.546 20 0 GFADRO CCc1cnc(NC(=O)C(=O)NC[C@H]2CC[N@H+](C)[C@H]2c2cccs2)s1 ZINC000375439202 563404995 /nfs/dbraw/zinc/40/49/95/563404995.db2.gz ULCPTBUMYHXUDX-BXUZGUMPSA-N 1 0 378.523 2.515 20 0 GFADRO O=C(N[C@H]1CCOc2c(Br)cccc21)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000282428275 563411411 /nfs/dbraw/zinc/41/14/11/563411411.db2.gz JEXGBPWDFZZACG-CJNGLKHVSA-N 1 0 392.297 2.928 20 0 GFADRO Nc1c(NCCc2cc(Br)ccc2F)ncnc1-n1cccn1 ZINC000301761375 563412018 /nfs/dbraw/zinc/41/20/18/563412018.db2.gz GEBNYJZEKBZVIW-UHFFFAOYSA-N 1 0 377.221 2.801 20 0 GFADRO O=C(CCCS(=O)(=O)c1ccc(Cl)cc1)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000375640826 563412371 /nfs/dbraw/zinc/41/23/71/563412371.db2.gz INFLHYCIZPFATH-HZPDHXFCSA-N 1 0 384.929 2.637 20 0 GFADRO Cn1c(-c2ccc(F)cc2Br)nnc1N1CC[NH+](C2CC2)CC1 ZINC000282486576 563413183 /nfs/dbraw/zinc/41/31/83/563413183.db2.gz NQUHRYHRSQAVDO-UHFFFAOYSA-N 1 0 380.265 2.668 20 0 GFADRO CCC(=O)N1CC[C@H](Nc2cc[nH+]c3cc(OC)c(Br)cc23)C1 ZINC000425239702 563414126 /nfs/dbraw/zinc/41/41/26/563414126.db2.gz OCJHSNKWPXHHDN-NSHDSACASA-N 1 0 378.270 2.851 20 0 GFADRO COc1cc2[nH+]ccc(N[C@H](CO)C[C@@H](O)C(C)(C)C)c2cc1Br ZINC000425248575 563414538 /nfs/dbraw/zinc/41/45/38/563414538.db2.gz ABTSNLAXKLWUSE-APPDUMDISA-N 1 0 397.313 2.998 20 0 GFADRO Nc1nc(NC[C@H](O)COc2ccccc2Br)nc2ccccc12 ZINC000301888591 563414993 /nfs/dbraw/zinc/41/49/93/563414993.db2.gz LAJOIOIGMRLHOZ-NSHDSACASA-N 1 0 389.253 2.826 20 0 GFADRO COc1cc2[nH+]ccc(N[C@@H](CO)[C@H]3CCCOC3)c2cc1Br ZINC000425269336 563416286 /nfs/dbraw/zinc/41/62/86/563416286.db2.gz QRKSPVQJROCPJP-ZBEGNZNMSA-N 1 0 381.270 2.627 20 0 GFADRO COC(=O)[C@@H]1C[N@H+](Cc2c[nH]nc2C)C[C@H]1c1ccc(Br)cc1 ZINC000425346536 563418608 /nfs/dbraw/zinc/41/86/08/563418608.db2.gz JNROJDYAJIKQES-JKSUJKDBSA-N 1 0 378.270 2.869 20 0 GFADRO Cc1ncc([C@H](C)[NH2+]C[C@H]2CCN(S(=O)(=O)c3cccs3)C2)c(C)n1 ZINC000375839267 563420405 /nfs/dbraw/zinc/42/04/05/563420405.db2.gz MARWXYDDEWYJGG-SWLSCSKDSA-N 1 0 380.539 2.516 20 0 GFADRO Brc1cnc2c(c1)nccc2N1CCC(C[NH+]2CCOCC2)CC1 ZINC000302093183 563420460 /nfs/dbraw/zinc/42/04/60/563420460.db2.gz HXBPKDDRUJJBCY-UHFFFAOYSA-N 1 0 391.313 2.941 20 0 GFADRO C[C@H]([NH2+]Cc1ccc(S(=O)(=O)N(C)C)s1)[C@@H]1OCCc2sccc21 ZINC000425449374 563422942 /nfs/dbraw/zinc/42/29/42/563422942.db2.gz SRDKTOMCWFMSOY-ZBEGNZNMSA-N 1 0 386.564 2.852 20 0 GFADRO C[C@H]1OCC[C@]12C[N@H+](CCC(=O)Nc1ccc(Br)cc1)CCO2 ZINC000375927803 563423529 /nfs/dbraw/zinc/42/35/29/563423529.db2.gz NWCHIUUGOSZTJF-DYVFJYSZSA-N 1 0 383.286 2.658 20 0 GFADRO CCc1cnc(NC(=O)C(=O)N[C@@H](C[NH+](C)C)c2ccc(Cl)cc2)s1 ZINC000282758165 563423644 /nfs/dbraw/zinc/42/36/44/563423644.db2.gz HWWLYHIRMHIMQH-AWEZNQCLSA-N 1 0 380.901 2.717 20 0 GFADRO CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc(Br)cn1 ZINC000302456725 563425490 /nfs/dbraw/zinc/42/54/90/563425490.db2.gz QKSVGXSJDIJSEM-SFHVURJKSA-N 1 0 376.298 2.917 20 0 GFADRO CC[C@H](C(=O)OC)N1C[C@H](C(=O)OC)[C@@H](c2ccc(Br)cc2)C1 ZINC000425523461 563426586 /nfs/dbraw/zinc/42/65/86/563426586.db2.gz YTANGPIPSBNKAY-QLFBSQMISA-N 1 0 384.270 2.589 20 0 GFADRO COCC(C)(C)[NH+]1CCN(C(=O)N[C@@H](C)c2ccc(Br)cn2)CC1 ZINC000425512468 563426705 /nfs/dbraw/zinc/42/67/05/563426705.db2.gz DMUIHJIIQZOZGB-ZDUSSCGKSA-N 1 0 399.333 2.657 20 0 GFADRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1c1ncnc2ccc(Br)cc21 ZINC000302569101 563426725 /nfs/dbraw/zinc/42/67/25/563426725.db2.gz YAJQJYDHYFQJRI-LBPRGKRZSA-N 1 0 379.302 2.674 20 0 GFADRO COc1cc(Br)c(CN2CCC[C@@H](C[NH+]3CCOCC3)C2)cc1O ZINC000282846531 563426910 /nfs/dbraw/zinc/42/69/10/563426910.db2.gz WAXPRZOXDCSSBU-AWEZNQCLSA-N 1 0 399.329 2.708 20 0 GFADRO C[C@H](CNc1cc(N2CCSCC2)ncn1)[N@@H+]1CCc2sccc2C1 ZINC000302804572 563430386 /nfs/dbraw/zinc/43/03/86/563430386.db2.gz WEKXFZIUJXEZSR-CQSZACIVSA-N 1 0 375.567 2.950 20 0 GFADRO CN(Cc1c(F)cccc1Cl)S(=O)(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000376128495 563430678 /nfs/dbraw/zinc/43/06/78/563430678.db2.gz JRQBSILKXGBKGR-GUYCJALGSA-N 1 0 389.924 2.620 20 0 GFADRO O=C1CCc2cc(Cl)c(S(=O)(=O)N3CCC[C@H]4C[NH2+]CCC[C@@H]43)cc21 ZINC000376140876 563431433 /nfs/dbraw/zinc/43/14/33/563431433.db2.gz AXUXBNBUFKDEAG-BBRMVZONSA-N 1 0 382.913 2.622 20 0 GFADRO C[C@@H]([NH2+]CCc1cccc(Br)c1)c1ccc(S(N)(=O)=O)cc1 ZINC000313739098 563437455 /nfs/dbraw/zinc/43/74/55/563437455.db2.gz LHXAOABIPAMRIX-GFCCVEGCSA-N 1 0 383.311 2.990 20 0 GFADRO Ic1cccc(C[NH2+][C@H]2CCCN(c3ncccn3)C2)c1 ZINC000314130417 563438593 /nfs/dbraw/zinc/43/85/93/563438593.db2.gz LRUNDODKBZHIBF-HNNXBMFYSA-N 1 0 394.260 2.840 20 0 GFADRO Cc1[nH+]c(C[N-]S(=O)(=O)c2c(Cl)ccc(F)c2F)c2n1CCCC2 ZINC000376342833 563438963 /nfs/dbraw/zinc/43/89/63/563438963.db2.gz CLXMGPOYWGGSPU-UHFFFAOYSA-N 1 0 375.828 2.938 20 0 GFADRO CCOc1ccc(Br)cc1S(=O)(=O)N1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000316478187 563441611 /nfs/dbraw/zinc/44/16/11/563441611.db2.gz WPQQSOIGKKPSFN-WCQYABFASA-N 1 0 391.331 2.738 20 0 GFADRO CCN(CC[NH2+][C@@H](C)c1ccc(NS(C)(=O)=O)cc1)CCC(F)(F)F ZINC000426078675 563443448 /nfs/dbraw/zinc/44/34/48/563443448.db2.gz RXWKJJWGDMZLDM-ZDUSSCGKSA-N 1 0 381.464 2.983 20 0 GFADRO CC[C@@H]1C[N@H+](C)CCCN1S(=O)(=O)c1cc(Br)ccc1OC ZINC000318479788 563443769 /nfs/dbraw/zinc/44/37/69/563443769.db2.gz KSXJPFWGHUXMEB-CYBMUJFWSA-N 1 0 391.331 2.563 20 0 GFADRO O=C(NCC(F)(F)F)[C@H]1CC[N@H+](CCOc2ccc(Br)cc2)C1 ZINC000426128628 563445152 /nfs/dbraw/zinc/44/51/52/563445152.db2.gz ODACLNKRCAHICV-NSHDSACASA-N 1 0 395.219 2.828 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CN1CCC(OCCC[NH3+])CC1 ZINC000321808680 563448446 /nfs/dbraw/zinc/44/84/46/563448446.db2.gz ZWIATKYUSXGLCQ-UHFFFAOYSA-N 1 0 384.318 2.526 20 0 GFADRO C[C@@H]([NH2+]C[C@@H]1CCn2ncc(C(N)=O)c2C1)c1ccc(Br)cc1 ZINC000376655180 563449528 /nfs/dbraw/zinc/44/95/28/563449528.db2.gz FIXODFIDXJTDOT-VXGBXAGGSA-N 1 0 377.286 2.658 20 0 GFADRO CN(CC[N@H+](C)C1CC1)C(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000426422560 563449731 /nfs/dbraw/zinc/44/97/31/563449731.db2.gz XDRQKWAXSXCXAA-OAHLLOKOSA-N 1 0 395.345 2.763 20 0 GFADRO COc1ccc(Br)cc1C(=O)NCCC[NH2+]Cc1cccnc1 ZINC000323443233 563450760 /nfs/dbraw/zinc/45/07/60/563450760.db2.gz DAIXLPWBQNJOPO-UHFFFAOYSA-N 1 0 378.270 2.762 20 0 GFADRO CNC(=O)c1cccc(NC(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1Br ZINC000376715994 563452356 /nfs/dbraw/zinc/45/23/56/563452356.db2.gz DURVTFFGHMFPSP-VXGBXAGGSA-N 1 0 395.301 2.557 20 0 GFADRO CC(C)(C(=O)N1CCC[N@@H+]2CCC[C@@H]2C1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000376762631 563453352 /nfs/dbraw/zinc/45/33/52/563453352.db2.gz FAVXHPKKRPIOGS-OAHLLOKOSA-N 1 0 384.929 2.589 20 0 GFADRO O=C(NCCOc1ncc(C(F)(F)F)cc1Cl)[C@H]1CCC[N@@H+]1C1CC1 ZINC000426762975 563454811 /nfs/dbraw/zinc/45/48/11/563454811.db2.gz PAENKKXVPCIMMZ-CYBMUJFWSA-N 1 0 377.794 2.876 20 0 GFADRO C[NH+](C)CCOCCNC(=O)Cc1csc(Cc2cccc(Cl)c2)n1 ZINC000427092599 563459875 /nfs/dbraw/zinc/45/98/75/563459875.db2.gz JIOWEIOFCZPLIB-UHFFFAOYSA-N 1 0 381.929 2.624 20 0 GFADRO Fc1ccc(I)c(F)c1CN1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000427098725 563459959 /nfs/dbraw/zinc/45/99/59/563459959.db2.gz CCUMPOYDMMUCDF-NOZJJQNGSA-N 1 0 378.204 2.753 20 0 GFADRO O=C(c1ccc(Br)cn1)N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000427171412 563461493 /nfs/dbraw/zinc/46/14/93/563461493.db2.gz QUJQGFNNZIMBHE-OAHLLOKOSA-N 1 0 382.302 2.561 20 0 GFADRO CNC(=O)C1CCC([NH2+]Cc2ccc(C(=O)OC)cc2Br)CC1 ZINC000284222571 563467947 /nfs/dbraw/zinc/46/79/47/563467947.db2.gz CWQOZNKZZGYHOU-UHFFFAOYSA-N 1 0 383.286 2.630 20 0 GFADRO O[C@@]1(Cn2ccnn2)CCC[N@@H+]([C@@H]2CCCc3ccc(Br)cc32)C1 ZINC000328953638 563469087 /nfs/dbraw/zinc/46/90/87/563469087.db2.gz OFDXHEIEKIJUNI-MSOLQXFVSA-N 1 0 391.313 2.945 20 0 GFADRO C[NH+](C)[C@@H]1CCCN(C(=O)COc2ccc(C=O)cc2Br)CC1 ZINC000377272260 563469307 /nfs/dbraw/zinc/46/93/07/563469307.db2.gz AWKSBNJYSVCUBO-CQSZACIVSA-N 1 0 383.286 2.583 20 0 GFADRO O=C(NC1CC[NH+](C2CC2)CC1)c1cc(Br)cnc1OCC1CC1 ZINC000329019922 563470414 /nfs/dbraw/zinc/47/04/14/563470414.db2.gz SEURGHVYTJSSCN-UHFFFAOYSA-N 1 0 394.313 2.990 20 0 GFADRO O[C@H](COc1cc(Cl)ccc1Cl)CN1CCOC[C@@H]1[C@@H]1CCCO1 ZINC000329048931 563471273 /nfs/dbraw/zinc/47/12/73/563471273.db2.gz GOUYZXLZJHUNQZ-IMJJTQAJSA-N 1 0 376.280 2.613 20 0 GFADRO Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH2+][C@H]1CCCS(=O)(=O)C1 ZINC000329186614 563474987 /nfs/dbraw/zinc/47/49/87/563474987.db2.gz AUVIRKDRDTVCGJ-INIZCTEOSA-N 1 0 381.929 2.868 20 0 GFADRO COc1cc(C(=O)Nc2cnccc2-n2ccnn2)sc1Br ZINC000377445433 563474995 /nfs/dbraw/zinc/47/49/95/563474995.db2.gz BODLQCGCXUGJRJ-UHFFFAOYSA-N 1 0 380.227 2.747 20 0 GFADRO Cc1c(Br)cccc1S(=O)(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000427781354 563475403 /nfs/dbraw/zinc/47/54/03/563475403.db2.gz IHGABAHAMHKCSQ-UKRRQHHQSA-N 1 0 387.343 2.862 20 0 GFADRO Cc1nc(C(=O)NCC2=CC[N@H+](C)CC2)nn1-c1c(Cl)cccc1Cl ZINC000329217390 563475839 /nfs/dbraw/zinc/47/58/39/563475839.db2.gz QAWZEXBQODBNHM-UHFFFAOYSA-N 1 0 380.279 2.874 20 0 GFADRO O=S(=O)(c1ccc2cc(Br)ccc2c1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000427931245 563479005 /nfs/dbraw/zinc/47/90/05/563479005.db2.gz LJSLITKIEHPKFM-PBHICJAKSA-N 1 0 395.322 2.975 20 0 GFADRO O=C1NC[C@H]2C[N@H+](Cc3ncc(-c4ccc(Br)cc4)o3)CC[C@@H]12 ZINC000377668096 563482365 /nfs/dbraw/zinc/48/23/65/563482365.db2.gz KMDYOZLYFAFIDJ-GXTWGEPZSA-N 1 0 376.254 2.672 20 0 GFADRO Cc1nn(C)c(C)c1C[C@H](C)[NH2+][C@H](C)Cn1cc(Br)ccc1=O ZINC000428218557 563485327 /nfs/dbraw/zinc/48/53/27/563485327.db2.gz MPCJXXWDOFAPGU-NWDGAFQWSA-N 1 0 381.318 2.570 20 0 GFADRO O=C(CC[N@H+]1CCOC[C@@H]1[C@@H]1CCC[C@@H]1O)Nc1cccc(Br)c1 ZINC000284674476 563485687 /nfs/dbraw/zinc/48/56/87/563485687.db2.gz DXEKSRSDBMILIY-BBWFWOEESA-N 1 0 397.313 2.640 20 0 GFADRO Cc1ncc(C[N@@H+]2CC[C@H](NC(=O)CCOCC(F)(F)F)[C@@H](C)C2)s1 ZINC000377789753 563487178 /nfs/dbraw/zinc/48/71/78/563487178.db2.gz JDWDRTKKQNEIDP-FZMZJTMJSA-N 1 0 379.448 2.747 20 0 GFADRO CN(C(=O)[C@H]1CCN(c2cc(Cl)ccc2Cl)C1=O)[C@@H]1CCC[NH2+]CC1 ZINC000377848344 563488616 /nfs/dbraw/zinc/48/86/16/563488616.db2.gz WJJJLXVIORPNEE-ZIAGYGMSSA-N 1 0 384.307 2.947 20 0 GFADRO Cc1ccc(Br)cc1-c1nnc(N2CCC[N@H+](CCO)CC2)s1 ZINC000329847273 563490209 /nfs/dbraw/zinc/49/02/09/563490209.db2.gz MQGPYQLHWBNGQD-UHFFFAOYSA-N 1 0 397.342 2.780 20 0 GFADRO O=C(c1c[nH]c2ncc(Br)cc12)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000329981518 563493205 /nfs/dbraw/zinc/49/32/05/563493205.db2.gz NKHKGHMQZXXIGD-GFCCVEGCSA-N 1 0 377.286 2.883 20 0 GFADRO O=C(Nc1cccc(C[N@H+]2CC[C@H](O)C2)c1)c1ncccc1Br ZINC000428533519 563494979 /nfs/dbraw/zinc/49/49/79/563494979.db2.gz HFQHBNYLPTVUCW-AWEZNQCLSA-N 1 0 376.254 2.663 20 0 GFADRO CC(C)[NH+]1CCC(NC(=O)C(=O)N(C)Cc2c(Cl)cccc2Cl)CC1 ZINC000284950028 563496276 /nfs/dbraw/zinc/49/62/76/563496276.db2.gz RIVFIDPLCMJAPZ-UHFFFAOYSA-N 1 0 386.323 2.941 20 0 GFADRO O=C(Cc1cccc(I)c1)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000378230076 563499524 /nfs/dbraw/zinc/49/95/24/563499524.db2.gz PFKQCIQTEYGZGB-INIZCTEOSA-N 1 0 398.288 2.824 20 0 GFADRO C[N@@H+]1CCC[C@H](CNS(=O)(=O)CCC2CCOCC2)[C@H]1c1cccs1 ZINC000330305386 563500689 /nfs/dbraw/zinc/50/06/89/563500689.db2.gz QPOOLSYIYJCYQB-AEFFLSMTSA-N 1 0 386.583 2.867 20 0 GFADRO C[C@H]([NH2+][C@H]1CCN(c2ccccc2C(N)=O)C1)c1ncc(Br)s1 ZINC000378271278 563501059 /nfs/dbraw/zinc/50/10/59/563501059.db2.gz MHZPOXLWXPGWLH-QWRGUYRKSA-N 1 0 395.326 2.934 20 0 GFADRO C[C@@H](NC(=O)NCc1ccc(S(C)(=O)=O)c(Cl)c1)C(C)(C)C[NH+](C)C ZINC000428825955 563502810 /nfs/dbraw/zinc/50/28/10/563502810.db2.gz JUANHFQJZCCURA-GFCCVEGCSA-N 1 0 389.949 2.519 20 0 GFADRO CNS(=O)(=O)c1ccc(NC2CC[NH+](Cc3cccs3)CC2)c(F)c1 ZINC000378330730 563503084 /nfs/dbraw/zinc/50/30/84/563503084.db2.gz BHTLWAWAMRVFCL-UHFFFAOYSA-N 1 0 383.514 2.872 20 0 GFADRO C[C@@H](c1ccccc1)[C@@H]([NH2+]CC(=O)N(C)Cc1ccc(Cl)s1)C(N)=O ZINC000428847720 563503718 /nfs/dbraw/zinc/50/37/18/563503718.db2.gz VTXDPGKKJFWMNE-YVEFUNNKSA-N 1 0 379.913 2.607 20 0 GFADRO C[C@H]1CN(C(=O)c2cc(F)ccc2Br)CCN1C1CC[NH+](C)CC1 ZINC000378368091 563504460 /nfs/dbraw/zinc/50/44/60/563504460.db2.gz UHFYJPSHGMPHQN-ZDUSSCGKSA-N 1 0 398.320 2.829 20 0 GFADRO C[C@H](NC(=O)c1cc(-c2ccc(Br)cc2)n[nH]1)[C@H]1CCC[NH2+]C1 ZINC000428944564 563504745 /nfs/dbraw/zinc/50/47/45/563504745.db2.gz UKFCMGYJRYCEEZ-AAEUAGOBSA-N 1 0 377.286 2.957 20 0 GFADRO C[C@H](NC(=O)[C@@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1)[C@H]1CCC[NH2+]C1 ZINC000428955042 563505063 /nfs/dbraw/zinc/50/50/63/563505063.db2.gz SYKIFEGAJKEZFU-RWMBFGLXSA-N 1 0 384.307 2.851 20 0 GFADRO C[C@H](NC(=O)c1ccc(S(=O)(=O)c2ccccc2)s1)[C@@H]1CCC[NH2+]C1 ZINC000428993808 563506413 /nfs/dbraw/zinc/50/64/13/563506413.db2.gz NYZATWRXFVEZMJ-UONOGXRCSA-N 1 0 378.519 2.699 20 0 GFADRO C[C@@H]([NH2+][C@@H]1CCN(c2ccccc2Cl)C1)c1cccc(S(N)(=O)=O)c1 ZINC000378427397 563506597 /nfs/dbraw/zinc/50/65/97/563506597.db2.gz IHWATQNKZGNDLT-UKRRQHHQSA-N 1 0 379.913 2.917 20 0 GFADRO Cc1cc(Br)ccc1CN1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000378482157 563508387 /nfs/dbraw/zinc/50/83/87/563508387.db2.gz LONJLVMOJWLMAD-KRWDZBQOSA-N 1 0 380.330 2.672 20 0 GFADRO COc1cc(Br)cc(C)c1NC(=O)N1CC[C@H]2OCCN(C)[C@H]2C1 ZINC000285230834 563509703 /nfs/dbraw/zinc/50/97/03/563509703.db2.gz NGCAVDCQJGFJLW-UONOGXRCSA-N 1 0 398.301 2.703 20 0 GFADRO CCc1c(C(=O)NC[C@H]([NH3+])C(C)C)cnn1-c1ccc(Br)cc1 ZINC000429133443 563510980 /nfs/dbraw/zinc/51/09/80/563510980.db2.gz GVSIFJMWWBPAEI-HNNXBMFYSA-N 1 0 379.302 2.910 20 0 GFADRO CC(C)[C@@H]([NH3+])CNC(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000429152419 563511075 /nfs/dbraw/zinc/51/10/75/563511075.db2.gz AOZZLRQIDNLEDK-BBRMVZONSA-N 1 0 386.323 2.945 20 0 GFADRO Cc1c(Br)cccc1C[NH+]1CCC(CNS(C)(=O)=O)CC1 ZINC000285253233 563511114 /nfs/dbraw/zinc/51/11/14/563511114.db2.gz ASIHZKBQRUEPQP-UHFFFAOYSA-N 1 0 375.332 2.519 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)N1CCC[C@](O)(C(F)(F)F)CC1)c1cccs1 ZINC000285262618 563511829 /nfs/dbraw/zinc/51/18/29/563511829.db2.gz ZXYAIMDMUXSLEB-IUODEOHRSA-N 1 0 379.448 2.840 20 0 GFADRO C[C@H]1C[N@H+](C)[C@@H](C)CN1Cc1csc(-c2ccc(S(C)(=O)=O)cc2)n1 ZINC000330592985 563512658 /nfs/dbraw/zinc/51/26/58/563512658.db2.gz PODIBBYPAGRSDW-KBPBESRZSA-N 1 0 379.551 2.738 20 0 GFADRO CN(C)S(=O)(=O)CCC[NH2+][C@H]1c2cc(Br)ccc2CC1(C)C ZINC000429286752 563513369 /nfs/dbraw/zinc/51/33/69/563513369.db2.gz SQJUSFSJIDKEFY-HNNXBMFYSA-N 1 0 389.359 2.944 20 0 GFADRO Cc1cc(CC(C)(C)[NH2+]CCCS(=O)(=O)N(C)C)ccc1Br ZINC000429259632 563513477 /nfs/dbraw/zinc/51/34/77/563513477.db2.gz UFDSWYBFHYMQAD-UHFFFAOYSA-N 1 0 391.375 2.950 20 0 GFADRO Cn1ccnc1Sc1ncc(C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])cc1Cl ZINC000429296660 563514167 /nfs/dbraw/zinc/51/41/67/563514167.db2.gz SZJDQFNZEVEBAF-SMDDNHRTSA-N 1 0 379.917 2.867 20 0 GFADRO CN(Cc1ccccc1Br)C(=O)C[NH2+][C@@H]1Cc2cccc(O)c2C1 ZINC000429328663 563514708 /nfs/dbraw/zinc/51/47/08/563514708.db2.gz MTOAZYYMPZBXSI-OAHLLOKOSA-N 1 0 389.293 2.870 20 0 GFADRO C[C@@H](NC(=O)c1ccc(Br)cc1)C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000429327567 563514977 /nfs/dbraw/zinc/51/49/77/563514977.db2.gz KPJPHIMWGWLGOK-MLGOLLRUSA-N 1 0 396.329 2.591 20 0 GFADRO C[C@@H]1[C@H]([NH+](C)C)CCN1S(=O)(=O)c1c(Cl)cccc1Br ZINC000380777929 563515518 /nfs/dbraw/zinc/51/55/18/563515518.db2.gz RSZKGOUGUIKATG-BXKDBHETSA-N 1 0 381.723 2.816 20 0 GFADRO C[C@H](Cn1cc(Br)cn1)[NH2+]C[C@]1(CO)C[C@@H]1c1ccc(F)cc1 ZINC000429416069 563516044 /nfs/dbraw/zinc/51/60/44/563516044.db2.gz BSXJEPQYWIVXRV-JLZZUVOBSA-N 1 0 382.277 2.929 20 0 GFADRO CCN(CC)C(=O)C[C@@H](C)[NH2+]C[C@@H](CO)Cc1ccccc1Br ZINC000429414056 563516291 /nfs/dbraw/zinc/51/62/91/563516291.db2.gz XEQCZGCFSNTSSV-CABCVRRESA-N 1 0 385.346 2.837 20 0 GFADRO C[C@@H]1CN(C(C)(C)C[NH2+]Cc2c(Cl)cccc2S(C)(=O)=O)C[C@@H](C)O1 ZINC000330667680 563516565 /nfs/dbraw/zinc/51/65/65/563516565.db2.gz UANPOVLZARODNG-ZIAGYGMSSA-N 1 0 388.961 2.721 20 0 GFADRO [NH3+]CC[C@@H](NC(=O)c1cc(Cl)ccc1I)C(F)F ZINC000383449575 563517279 /nfs/dbraw/zinc/51/72/79/563517279.db2.gz LXEBSPVBTLASSY-SECBINFHSA-N 1 0 388.583 2.657 20 0 GFADRO C[NH+](C)[C@@H]1CCCN(C[C@@H](O)COc2cc(F)cc(Br)c2)CC1 ZINC000429537940 563518491 /nfs/dbraw/zinc/51/84/91/563518491.db2.gz IAUPZEQPAZMJCG-HZPDHXFCSA-N 1 0 389.309 2.744 20 0 GFADRO CC(C)[NH+]1CCC(N(C)C(=O)CNC(=O)c2ccc(Br)cc2)CC1 ZINC000330757405 563520237 /nfs/dbraw/zinc/52/02/37/563520237.db2.gz XYSRQVYOAODCFK-UHFFFAOYSA-N 1 0 396.329 2.510 20 0 GFADRO CC1(C)C[NH2+]CC[C@@H]1NC(=O)c1ccc(F)cc1I ZINC000389685837 563521824 /nfs/dbraw/zinc/52/18/24/563521824.db2.gz IKOBJGODHSOSGA-LBPRGKRZSA-N 1 0 376.213 2.548 20 0 GFADRO CCS(=O)(=O)NCC[NH2+][C@@H]1CCN(C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000429766565 563521932 /nfs/dbraw/zinc/52/19/32/563521932.db2.gz CVVGPJXVIKEQPT-IAGOWNOFSA-N 1 0 391.940 2.532 20 0 GFADRO O[C@H](C[NH2+]CCOCc1ccccc1)COc1ccc(Br)cc1 ZINC000390243142 563522572 /nfs/dbraw/zinc/52/25/72/563522572.db2.gz PCBQUURIPMMHKE-QGZVFWFLSA-N 1 0 380.282 2.995 20 0 GFADRO O=S(=O)(c1cc(Cl)ccc1Br)N1CCN(C2CC2)CC1 ZINC000429819562 563523345 /nfs/dbraw/zinc/52/33/45/563523345.db2.gz IKCSEFAMTLPLAM-UHFFFAOYSA-N 1 0 379.707 2.571 20 0 GFADRO O[C@H](COc1cccc(Br)c1)C[N@@H+]1CCC[C@](O)(C(F)(F)F)C1 ZINC000330849455 563523797 /nfs/dbraw/zinc/52/37/97/563523797.db2.gz DJSFHPIWYGWHOJ-GXTWGEPZSA-N 1 0 398.219 2.578 20 0 GFADRO CC(C)(CS(C)(=O)=O)[NH2+]Cc1cc(Br)c2c(c1)OCCCO2 ZINC000391391607 563524401 /nfs/dbraw/zinc/52/44/01/563524401.db2.gz HWXZRFJBDYUGNL-UHFFFAOYSA-N 1 0 392.315 2.523 20 0 GFADRO O=C(NCCC[NH+]1CCC(O)CC1)c1cc(F)c(Br)c(Cl)c1 ZINC000285518147 563525127 /nfs/dbraw/zinc/52/51/27/563525127.db2.gz OQYNMIQOEHMXQO-UHFFFAOYSA-N 1 0 393.684 2.818 20 0 GFADRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NS(=O)(=O)c1cc(Cl)ccc1Br ZINC000429845297 563525772 /nfs/dbraw/zinc/52/57/72/563525772.db2.gz MYPGZUZMXNBDDM-TVQRCGJNSA-N 1 0 393.734 2.864 20 0 GFADRO C[NH+](C)[C@@H]1CCCN(S(=O)(=O)c2cc(Cl)ccc2Br)C1 ZINC000429867268 563526739 /nfs/dbraw/zinc/52/67/39/563526739.db2.gz LKELTIBSBKFRDB-LLVKDONJSA-N 1 0 381.723 2.817 20 0 GFADRO O[C@H](COCc1ccccc1Cl)C[N@@H+]1CCC[C@](O)(C(F)(F)F)CC1 ZINC000285551843 563526750 /nfs/dbraw/zinc/52/67/50/563526750.db2.gz MIMQKUBLXVKDKU-GOEBONIOSA-N 1 0 381.822 2.997 20 0 GFADRO COC(=O)[C@H](NC(=O)C[C@@H](C)[C@H]1CCC[NH2+]C1)c1ccc(Br)cc1 ZINC000429912905 563528642 /nfs/dbraw/zinc/52/86/42/563528642.db2.gz YWERECZXDWOICB-HACGYAERSA-N 1 0 397.313 2.805 20 0 GFADRO C[C@@H]1C[C@H](C)N(S(=O)(=O)c2ccc(F)cc2Br)C[C@@H]1C[NH3+] ZINC000397320384 563531936 /nfs/dbraw/zinc/53/19/36/563531936.db2.gz SNEJDMKCVLQPEA-VWYCJHECSA-N 1 0 379.295 2.582 20 0 GFADRO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC[C@@H](CO)Cc1cccc(Br)c1 ZINC000430120834 563533917 /nfs/dbraw/zinc/53/39/17/563533917.db2.gz KRTHBNRQVULCFQ-FMKPAKJESA-N 1 0 383.330 2.589 20 0 GFADRO Cc1[nH]c(=O)c(Br)cc1C(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000285753162 563535535 /nfs/dbraw/zinc/53/55/35/563535535.db2.gz LWHMQPINFLGXLF-ZDUSSCGKSA-N 1 0 382.302 2.662 20 0 GFADRO Brc1cccc(-c2noc(Cn3cc([C@@H]4CCC[NH2+]C4)nn3)n2)c1 ZINC000404669536 563537182 /nfs/dbraw/zinc/53/71/82/563537182.db2.gz AXZDGPQIISNLSY-GFCCVEGCSA-N 1 0 389.257 2.606 20 0 GFADRO COc1ccc(CN2C[C@@H](N3CCOCC3)C[C@@H]2C)c(Br)c1OC ZINC000285794320 563537333 /nfs/dbraw/zinc/53/73/33/563537333.db2.gz FPFVXJQFNODLCF-ZFWWWQNUSA-N 1 0 399.329 2.761 20 0 GFADRO C[C@@H](C(=O)NC[C@H](CO)Cc1ccc(Br)cc1)[NH+]1CCCCCC1 ZINC000430181594 563538799 /nfs/dbraw/zinc/53/87/99/563538799.db2.gz UMQNGEFGOAHRPP-DOTOQJQBSA-N 1 0 397.357 2.981 20 0 GFADRO O=C(C[C@H]1C[NH2+]CCO1)NCC1(c2ccc(Cl)cc2Cl)CCOCC1 ZINC000430292204 563540046 /nfs/dbraw/zinc/54/00/46/563540046.db2.gz AWVUGBVYTUFNGD-AWEZNQCLSA-N 1 0 387.307 2.536 20 0 GFADRO [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)NC[C@H](O)COc1ccccc1Br ZINC000430466005 563543773 /nfs/dbraw/zinc/54/37/73/563543773.db2.gz RJTFDGIMEHRRDB-OFQRWUPVSA-N 1 0 399.329 2.603 20 0 GFADRO C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000430559952 563545338 /nfs/dbraw/zinc/54/53/38/563545338.db2.gz UVAKNZFLNZNAGW-LZWOXQAQSA-N 1 0 382.346 2.855 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CCCCN1Cc1csc(-c2ccc(S(C)(=O)=O)cc2)n1 ZINC000430600874 563546972 /nfs/dbraw/zinc/54/69/72/563546972.db2.gz IQBDKOKGIUGXDZ-CXAGYDPISA-N 1 0 379.551 2.915 20 0 GFADRO C[C@@H]([NH2+]C[C@@H]1CCCS1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430712321 563548228 /nfs/dbraw/zinc/54/82/28/563548228.db2.gz HOBWOKPRTMGWAW-KOLCDFICSA-N 1 0 379.345 2.643 20 0 GFADRO C[C@@H]([NH2+]C[C@@H]1CCC(C)(C)O1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430752589 563548878 /nfs/dbraw/zinc/54/88/78/563548878.db2.gz HIYVBQOIVNTKLR-PWSUYJOCSA-N 1 0 391.331 2.705 20 0 GFADRO C[C@@H]1C[C@@H](NS(=O)(=O)c2ccc(OCC(F)(F)F)cc2)C[N@@H+]1C1CC1 ZINC000331481438 563550544 /nfs/dbraw/zinc/55/05/44/563550544.db2.gz JLYKUCBITTXQQN-VXGBXAGGSA-N 1 0 378.416 2.531 20 0 GFADRO O=C1[C@H](N2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)CCN1c1cccc(Cl)c1 ZINC000286314673 563555518 /nfs/dbraw/zinc/55/55/18/563555518.db2.gz DCBCZFLCZSBPQC-KCPJHIHWSA-N 1 0 376.806 2.938 20 0 GFADRO COc1cc(Cl)c(S(=O)(=O)N2CCCC23CC[NH+](C)CC3)cc1OC ZINC000408450775 563556597 /nfs/dbraw/zinc/55/65/97/563556597.db2.gz IRDBSBMUMPJMRK-UHFFFAOYSA-N 1 0 388.917 2.606 20 0 GFADRO O=S(=O)(CCC[N@H+](C[C@H]1CCCO1)[C@@H]1CCSC1)c1ccc(F)cc1 ZINC000409449606 563560946 /nfs/dbraw/zinc/56/09/46/563560946.db2.gz VGSGYMXIDQMYMV-IAGOWNOFSA-N 1 0 387.542 2.976 20 0 GFADRO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2nc3ccc(Br)cn3n2)C1 ZINC000331861831 563564726 /nfs/dbraw/zinc/56/47/26/563564726.db2.gz BLCLVBICGNTJEB-LBPRGKRZSA-N 1 0 394.317 2.732 20 0 GFADRO O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccn(-c2ccc(Br)cc2)n1 ZINC000431824602 563569463 /nfs/dbraw/zinc/56/94/63/563569463.db2.gz RBDSRLONSWMGHJ-GOEBONIOSA-N 1 0 389.297 2.991 20 0 GFADRO CC1CC[NH+](C[C@H](O)CNC(=O)COc2cc(Cl)ccc2Cl)CC1 ZINC000409721488 563569557 /nfs/dbraw/zinc/56/95/57/563569557.db2.gz LIGNYHNTTKDVRL-CQSZACIVSA-N 1 0 375.296 2.581 20 0 GFADRO C[C@@H]1CN(C(=O)c2cc(=O)[nH]c3c(Br)cccc23)C[C@H]1[NH+](C)C ZINC000332020875 563571779 /nfs/dbraw/zinc/57/17/79/563571779.db2.gz HIBWDHUZRDBHIO-QMTHXVAHSA-N 1 0 378.270 2.725 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N[C@@H](C)C[NH+]2CCCCC2)c(Br)c1 ZINC000431973494 563572333 /nfs/dbraw/zinc/57/23/33/563572333.db2.gz ZLORJONSPQRSFY-AWEZNQCLSA-N 1 0 396.329 2.995 20 0 GFADRO CN(C)c1cc(NC(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)ncc1Br ZINC000332039648 563572916 /nfs/dbraw/zinc/57/29/16/563572916.db2.gz KHQORABMMRLRGB-STQMWFEESA-N 1 0 382.306 2.658 20 0 GFADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)Cc2cscc2Br)C1 ZINC000432063915 563574308 /nfs/dbraw/zinc/57/43/08/563574308.db2.gz PEXCQSRRQCLLJL-ZDUSSCGKSA-N 1 0 375.332 2.526 20 0 GFADRO O=S1(=O)CCC(O)(C[NH+]2CCC(Sc3ccc(Cl)cc3)CC2)CC1 ZINC000332146703 563579902 /nfs/dbraw/zinc/57/99/02/563579902.db2.gz TXFMGBNUBHMPGO-UHFFFAOYSA-N 1 0 389.970 2.836 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)c2ccc(Br)cc2)C[C@H]1c1ccccc1 ZINC000410066520 563580257 /nfs/dbraw/zinc/58/02/57/563580257.db2.gz ZBCCKFSMEQSLMC-WBVHZDCISA-N 1 0 387.277 2.833 20 0 GFADRO O=C(Nc1cc(F)ccc1Br)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000332175452 563580937 /nfs/dbraw/zinc/58/09/37/563580937.db2.gz MKUGQWHRGXQSQU-ZDUSSCGKSA-N 1 0 398.276 2.614 20 0 GFADRO C[C@H]1C[N@H+](CCCNCc2cc(Br)c3c(c2)OCCO3)CCCO1 ZINC000432368222 563582662 /nfs/dbraw/zinc/58/26/62/563582662.db2.gz OQRZMYOZKGVPPN-AWEZNQCLSA-N 1 0 399.329 2.811 20 0 GFADRO Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)[NH2+]C[C@@H](O)COCC(F)(F)F ZINC000432857417 563595581 /nfs/dbraw/zinc/59/55/81/563595581.db2.gz DSWUIJUIUUSFQW-LDYMZIIASA-N 1 0 377.329 2.653 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)c1ccn(-c2ccc(Br)cc2)n1 ZINC000432885713 563595898 /nfs/dbraw/zinc/59/58/98/563595898.db2.gz ADPFJWXZOMYKFN-CYBMUJFWSA-N 1 0 375.270 2.601 20 0 GFADRO CCCC[NH+]1CCC(NC(=O)NCCCn2cc(Br)cn2)CC1 ZINC000287327071 563596868 /nfs/dbraw/zinc/59/68/68/563596868.db2.gz MDSFYKBHKFDASE-UHFFFAOYSA-N 1 0 386.338 2.599 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)C(=O)N2CCc3cc(Cl)c(Cl)cc3[C@H]2C)CC[NH2+]1 ZINC000332445064 563598752 /nfs/dbraw/zinc/59/87/52/563598752.db2.gz CYDIEORVDYAJLZ-NQBHXWOUSA-N 1 0 384.307 2.696 20 0 GFADRO CCCN(CCC[NH+](C)C)C(=O)C(=O)N(C)Cc1ccccc1Br ZINC000410912955 563599460 /nfs/dbraw/zinc/59/94/60/563599460.db2.gz VQQGNUNDGISHKU-UHFFFAOYSA-N 1 0 398.345 2.598 20 0 GFADRO [NH3+][C@@H]1CCCN(C(=O)C(=O)N2CC=C(c3ccc(Cl)c(Cl)c3)CC2)C1 ZINC000332520606 563603350 /nfs/dbraw/zinc/60/33/50/563603350.db2.gz CAZLOFGNZXNRCJ-CQSZACIVSA-N 1 0 382.291 2.559 20 0 GFADRO Cc1cc(NC(=O)C(=O)N2C[C@H]3CCC[N@H+]3C[C@H]2C)c(F)cc1Br ZINC000332587998 563605832 /nfs/dbraw/zinc/60/58/32/563605832.db2.gz KWSLZPREYVYEQZ-VXGBXAGGSA-N 1 0 398.276 2.530 20 0 GFADRO CCn1cccc(C[NH2+]Cc2cnc3c(C)cc(Br)cn23)c1=O ZINC000433205665 563606862 /nfs/dbraw/zinc/60/68/62/563606862.db2.gz LWHROMBQQKGGKU-UHFFFAOYSA-N 1 0 375.270 2.877 20 0 GFADRO O=C(C[N@@H+](CCO)[C@@H]1CCCSC1)NCCc1cccc(Cl)c1Cl ZINC000433213125 563606868 /nfs/dbraw/zinc/60/68/68/563606868.db2.gz NMFBDAZXUQXINB-CQSZACIVSA-N 1 0 391.364 2.842 20 0 GFADRO COC[C@H]([NH2+]Cc1cnn(-c2ccc(Br)cc2)c1)[C@H]1CCCO1 ZINC000433203177 563606906 /nfs/dbraw/zinc/60/69/06/563606906.db2.gz AWEAZDIXJTXFQI-DLBZAZTESA-N 1 0 380.286 2.918 20 0 GFADRO CC[NH+]1CCC(NC(=O)C(=O)Nc2cc(Cl)ccc2C(F)(F)F)CC1 ZINC000287555155 563607034 /nfs/dbraw/zinc/60/70/34/563607034.db2.gz UUYFHNNATAIJNV-UHFFFAOYSA-N 1 0 377.794 2.898 20 0 GFADRO C[C@@H]1CCN(C(=O)N[C@H]2CCN(c3ccc(Br)cc3)C2)C[C@H]1C[NH3+] ZINC000332647646 563609731 /nfs/dbraw/zinc/60/97/31/563609731.db2.gz JDNFQENRVNYWFC-FMKPAKJESA-N 1 0 395.345 2.654 20 0 GFADRO C[C@@H]([NH3+])C1CCN(C(=O)N[C@H]2CCN(c3ccc(Br)cc3)C2)CC1 ZINC000332666835 563611110 /nfs/dbraw/zinc/61/11/10/563611110.db2.gz OKTNIRHQIJEEJW-CJNGLKHVSA-N 1 0 395.345 2.797 20 0 GFADRO O=C(CC[NH2+]C1(CO)Cc2ccccc2C1)Nc1cccc(Br)c1 ZINC000411284476 563613567 /nfs/dbraw/zinc/61/35/67/563613567.db2.gz SBNYUFUVEFBODP-UHFFFAOYSA-N 1 0 389.293 2.897 20 0 GFADRO CS[C@@H]1C[N@H+](CCC(=O)Nc2cccc(Br)c2)C[C@H]1N(C)C ZINC000411416336 563618659 /nfs/dbraw/zinc/61/86/59/563618659.db2.gz DNPWWZSJMWSBAD-HUUCEWRRSA-N 1 0 386.359 2.755 20 0 GFADRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)NCCc1nc(C(F)(F)F)cs1 ZINC000287819831 563619156 /nfs/dbraw/zinc/61/91/56/563619156.db2.gz CHOVJJAAVCYFRU-VXGBXAGGSA-N 1 0 376.448 2.973 20 0 GFADRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)Nc3cnn(-c4ccccc4Br)c3)C[C@@H]12 ZINC000333098754 563620033 /nfs/dbraw/zinc/62/00/33/563620033.db2.gz DNXBZLXAUZUGLX-NJZAAPMLSA-N 1 0 390.285 2.836 20 0 GFADRO CN(C)c1ncc(C[N@H+](C)CCC(=O)Nc2cccc(Br)c2)cn1 ZINC000411494017 563620846 /nfs/dbraw/zinc/62/08/46/563620846.db2.gz GSLYVABZFWCEST-UHFFFAOYSA-N 1 0 392.301 2.766 20 0 GFADRO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)c1ncsc1Br ZINC000287882729 563621177 /nfs/dbraw/zinc/62/11/77/563621177.db2.gz BLBBJYWOWYSSCA-UHFFFAOYSA-N 1 0 381.299 2.947 20 0 GFADRO C[C@H](Cc1ccc(F)c(Br)c1)NC(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000333149500 563622202 /nfs/dbraw/zinc/62/22/02/563622202.db2.gz FBRMZYAZHCBVMD-LESCFKLSSA-N 1 0 384.293 2.898 20 0 GFADRO CCn1cc([C@@H]2NC(=O)CC[C@H]2[NH2+]Cc2ccc(Br)cc2)cn1 ZINC000433989885 563624691 /nfs/dbraw/zinc/62/46/91/563624691.db2.gz IHCHMPZGYJOACW-WBVHZDCISA-N 1 0 377.286 2.775 20 0 GFADRO O=C(COc1cc(Cl)ccc1Cl)N1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000333231595 563624832 /nfs/dbraw/zinc/62/48/32/563624832.db2.gz CDXGFRFZYCZORC-HIFRSBDPSA-N 1 0 385.291 2.599 20 0 GFADRO [NH3+][C@H]1CCO[C@H](C2CCN(C(=O)Cc3cc(F)ccc3Br)CC2)C1 ZINC000333237355 563625299 /nfs/dbraw/zinc/62/52/99/563625299.db2.gz DGWWCYBOTBNUTC-RDJZCZTQSA-N 1 0 399.304 2.876 20 0 GFADRO CCO[C@H]1C[C@](CO)([NH2+]CCC(=O)Nc2ccccc2Br)C1(C)C ZINC000411611927 563626492 /nfs/dbraw/zinc/62/64/92/563626492.db2.gz OEJXGHNHRPFWMQ-MAUKXSAKSA-N 1 0 399.329 2.933 20 0 GFADRO [NH3+][C@H]1CCO[C@H](C2CCN(C(=O)Cc3ccc(Br)s3)CC2)C1 ZINC000333345364 563628791 /nfs/dbraw/zinc/62/87/91/563628791.db2.gz ZDKDSEWAPVGAQD-JSGCOSHPSA-N 1 0 387.343 2.798 20 0 GFADRO O=C(NCc1ccc(O)c(Br)c1)N1CCC2(CC[NH2+]CC2)CC1 ZINC000333399264 563630641 /nfs/dbraw/zinc/63/06/41/563630641.db2.gz PSXGZOJDBCWCOZ-UHFFFAOYSA-N 1 0 382.302 2.830 20 0 GFADRO C[C@H]1CN(C(=O)Nc2ccc(-c3ccc(Br)s3)nn2)CC[C@@H]1[NH3+] ZINC000333397008 563630661 /nfs/dbraw/zinc/63/06/61/563630661.db2.gz YFFPPYJGJGJESV-UWVGGRQHSA-N 1 0 396.314 3.169 20 0 GFADRO C[N@@H+]1CC[C@H]2OCCN(Cc3c(F)c(F)c(Br)c(F)c3F)[C@H]2C1 ZINC000411708960 563630725 /nfs/dbraw/zinc/63/07/25/563630725.db2.gz KAEHYRYONOZCCT-VHSXEESVSA-N 1 0 397.210 2.910 20 0 GFADRO Cc1cc(Br)cc(NC(=O)C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)c1 ZINC000434555625 563632476 /nfs/dbraw/zinc/63/24/76/563632476.db2.gz KECVZXFYVVZYED-MRXNPFEDSA-N 1 0 394.313 2.829 20 0 GFADRO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)Nc1cc(F)c(Br)c(Cl)c1 ZINC000288204090 563633226 /nfs/dbraw/zinc/63/32/26/563633226.db2.gz YLZOTEUDNCFSPK-QMMMGPOBSA-N 1 0 394.672 2.637 20 0 GFADRO O=C(CC[NH2+][C@@H](C1CC1)[C@@]1(CO)CCCO1)Nc1cccc(Br)c1 ZINC000411774656 563633711 /nfs/dbraw/zinc/63/37/11/563633711.db2.gz VXKDZLQJBAAWMO-ROUUACIJSA-N 1 0 397.313 2.687 20 0 GFADRO C[C@H](NC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1)[C@@H]1CCC[NH2+]C1 ZINC000333480591 563633895 /nfs/dbraw/zinc/63/38/95/563633895.db2.gz CATLYLMJRVCOJC-QWHCGFSZSA-N 1 0 386.327 2.608 20 0 GFADRO C[C@@H](CN1CCOCC1)[N@H+](C)CCOc1cc(F)cc(Br)c1 ZINC000434710927 563636269 /nfs/dbraw/zinc/63/62/69/563636269.db2.gz KVZJHEXCZFHGDN-ZDUSSCGKSA-N 1 0 375.282 2.620 20 0 GFADRO [NH3+][C@H]1CCO[C@@H](C2CCN(S(=O)(=O)Cc3ccc(F)c(Cl)c3)CC2)C1 ZINC000333629917 563637251 /nfs/dbraw/zinc/63/72/51/563637251.db2.gz GKNVXPXHRWSTDG-WMLDXEAASA-N 1 0 390.908 2.527 20 0 GFADRO [NH3+][C@H]1CCCO[C@@H]1C1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000333638950 563638058 /nfs/dbraw/zinc/63/80/58/563638058.db2.gz HUNLZZUKKRMAJC-GOEBONIOSA-N 1 0 393.336 2.900 20 0 GFADRO COC[C@H]([NH2+]CC(=O)N[C@H](C)c1ccc(Cl)cc1Cl)[C@H]1CCCO1 ZINC000434796707 563638224 /nfs/dbraw/zinc/63/82/24/563638224.db2.gz RHOIEZRLCFUVOT-XFBWCDHKSA-N 1 0 375.296 2.954 20 0 GFADRO COC[C@H]([NH2+]CC(=O)N[C@H](C)c1ccc(Cl)c(Cl)c1)[C@H]1CCCO1 ZINC000434782040 563638232 /nfs/dbraw/zinc/63/82/32/563638232.db2.gz DWECEOHCJQMJTQ-XFBWCDHKSA-N 1 0 375.296 2.954 20 0 GFADRO COCC(COC)[NH+]1CCN(CCOc2ccc(Cl)cc2Cl)CC1 ZINC000411864631 563638343 /nfs/dbraw/zinc/63/83/43/563638343.db2.gz SHSBQHIZXFTTBU-UHFFFAOYSA-N 1 0 377.312 2.651 20 0 GFADRO Brc1ccc2c(c1)[C@@H]([NH2+][C@H]1CCc3nnnn3CC1)CCS2 ZINC000333667603 563638506 /nfs/dbraw/zinc/63/85/06/563638506.db2.gz CBTKGKKAHMBTGN-AAEUAGOBSA-N 1 0 380.315 2.967 20 0 GFADRO Brc1ccc2c(c1)C=C(C[NH2+]CC1(N3CCOCC3)CC1)CO2 ZINC000434786327 563638689 /nfs/dbraw/zinc/63/86/89/563638689.db2.gz RCCIFXOOSQMRKB-UHFFFAOYSA-N 1 0 379.298 2.679 20 0 GFADRO COc1nc(C)c(Br)cc1C(=O)N1C[C@H]([NH+]2CCCC2)C[C@H]1C ZINC000288340010 563638968 /nfs/dbraw/zinc/63/89/68/563638968.db2.gz JTZWBYQNXBEABF-DGCLKSJQSA-N 1 0 382.302 2.860 20 0 GFADRO O=C(NCc1cc(F)c(F)cc1Br)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000333680518 563639101 /nfs/dbraw/zinc/63/91/01/563639101.db2.gz ZOBGCEXFJWUVAN-JFGNBEQYSA-N 1 0 388.256 2.915 20 0 GFADRO C[C@@]1(CNC(=O)N[C@@H]2COc3cc(F)c(Br)cc32)CCC[NH2+]C1 ZINC000333744188 563640638 /nfs/dbraw/zinc/64/06/38/563640638.db2.gz JFNSJJAICXEDHK-CZUORRHYSA-N 1 0 386.265 2.711 20 0 GFADRO COc1cc(C[NH2+]CC2=CCCOC2)cc(I)c1OC ZINC000288404718 563641687 /nfs/dbraw/zinc/64/16/87/563641687.db2.gz IIDVOVGCLAPCDA-UHFFFAOYSA-N 1 0 389.233 2.745 20 0 GFADRO CO[C@@](C)([C@H](C)[NH2+]Cc1nnnn1-c1ccccc1Br)C1CC1 ZINC000411952600 563642763 /nfs/dbraw/zinc/64/27/63/563642763.db2.gz RFALGQOINFGOOR-ZBEGNZNMSA-N 1 0 380.290 2.718 20 0 GFADRO C[C@H](NC(=O)C[NH2+][C@H](CO)[C@@H]1CCCOC1)c1ccc(Cl)cc1Cl ZINC000411989603 563643090 /nfs/dbraw/zinc/64/30/90/563643090.db2.gz HTYKBTYMSKURJR-HWWQOWPSSA-N 1 0 375.296 2.548 20 0 GFADRO OC[C@H]([NH2+]CCOc1ccc(Cl)cc1Br)[C@H]1CCCOC1 ZINC000411991897 563643335 /nfs/dbraw/zinc/64/33/35/563643335.db2.gz YMUCTSHCYOQMRW-FZMZJTMJSA-N 1 0 378.694 2.858 20 0 GFADRO C[C@H]1CS(=O)(=O)C[C@H]1NCc1csc(COc2ccc(Cl)cc2)n1 ZINC000288446375 563643654 /nfs/dbraw/zinc/64/36/54/563643654.db2.gz CSTXXDKFNBTEKB-XHDPSFHLSA-N 1 0 386.926 2.898 20 0 GFADRO O=C(N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)N[C@@H]1CCCC[NH2+]C1 ZINC000333853827 563643771 /nfs/dbraw/zinc/64/37/71/563643771.db2.gz XVLAOPVXMOMKLB-ABAIWWIYSA-N 1 0 385.295 2.540 20 0 GFADRO COc1ccc(Br)c(C(=O)N2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)c1 ZINC000333867269 563643782 /nfs/dbraw/zinc/64/37/82/563643782.db2.gz TZIYLWNVVVUSPU-SJORKVTESA-N 1 0 397.313 2.816 20 0 GFADRO O=C(C[NH2+][C@@H](CO)[C@@H]1CCCOC1)Nc1cc(Cl)c(Cl)cc1Cl ZINC000411993207 563643922 /nfs/dbraw/zinc/64/39/22/563643922.db2.gz LGJULUBVYMDUNQ-OTYXRUKQSA-N 1 0 381.687 2.962 20 0 GFADRO O=C(C[NH2+][C@H](CO)[C@H]1CCCOC1)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000411995905 563644020 /nfs/dbraw/zinc/64/40/20/563644020.db2.gz QXAZQEURDSDKMN-IINYFYTJSA-N 1 0 380.794 2.674 20 0 GFADRO O=C(C[NH2+][C@@H](CO)[C@H]1CCCOC1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000411997225 563644213 /nfs/dbraw/zinc/64/42/13/563644213.db2.gz UEDCUKKEHDLLKJ-HZMBPMFUSA-N 1 0 380.794 2.674 20 0 GFADRO COC1([C@@H](C)[NH2+]CCS(=O)(=O)c2ccc(Br)cc2)CCC1 ZINC000412018756 563645002 /nfs/dbraw/zinc/64/50/02/563645002.db2.gz GFABDJVTSZWYGG-GFCCVEGCSA-N 1 0 376.316 2.770 20 0 GFADRO CC[NH+](CC)CC1CCN(C(=O)c2nc3ccc(Br)cn3n2)CC1 ZINC000333946374 563646628 /nfs/dbraw/zinc/64/66/28/563646628.db2.gz UONOPTLRLYSBIL-UHFFFAOYSA-N 1 0 394.317 2.686 20 0 GFADRO O=C(c1ccn(-c2cccc(Br)c2)n1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000435246069 563647001 /nfs/dbraw/zinc/64/70/01/563647001.db2.gz PJOJOTVGLHSMJG-HNNXBMFYSA-N 1 0 375.270 2.601 20 0 GFADRO Cc1c(C(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)cnn1-c1cccc(Br)c1 ZINC000435242099 563647082 /nfs/dbraw/zinc/64/70/82/563647082.db2.gz JFCZLUCUEDYHRN-MRXNPFEDSA-N 1 0 389.297 2.910 20 0 GFADRO COC(=O)[C@]1(C)CCC[N@H+](CC(=O)N[C@@H](C)c2ccc(Br)cc2)C1 ZINC000412095133 563648377 /nfs/dbraw/zinc/64/83/77/563648377.db2.gz FKHQKZXOOIRNSO-SCLBCKFNSA-N 1 0 397.313 2.901 20 0 GFADRO OC[C@H]1C[N@H+](Cc2c(-c3ccc(Cl)cc3)nc3sccn23)CC[C@@H]1O ZINC000412107878 563648563 /nfs/dbraw/zinc/64/85/63/563648563.db2.gz RRWCJXRPHIQDAW-CJNGLKHVSA-N 1 0 377.897 2.891 20 0 GFADRO CC(C)[C@H]1CN(C(=O)[C@@H](C)NC(=O)c2cccc(Cl)c2Cl)CC[N@@H+]1C ZINC000334073889 563651946 /nfs/dbraw/zinc/65/19/46/563651946.db2.gz AMAQHSKLWUARLV-IUODEOHRSA-N 1 0 386.323 2.910 20 0 GFADRO C[C@H]1COCC[C@@H]1C(=O)Nc1cc(Br)ccc1N1CC[NH+](C)CC1 ZINC000435609620 563655066 /nfs/dbraw/zinc/65/50/66/563655066.db2.gz AHKUUFBYPWFHER-ZFWWWQNUSA-N 1 0 396.329 2.812 20 0 GFADRO COC(=O)CC[C@H]([NH3+])C(=O)Nc1ncc(Cc2ccc(Cl)cc2C)s1 ZINC000288753552 563655745 /nfs/dbraw/zinc/65/57/45/563655745.db2.gz NPTBZHQEOMSUMR-AWEZNQCLSA-N 1 0 381.885 2.915 20 0 GFADRO C[C@H]1[NH2+]CCC[C@H]1C(=O)NC[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000288826770 563658783 /nfs/dbraw/zinc/65/87/83/563658783.db2.gz UTEADXSAHLUYAC-CKEIUWERSA-N 1 0 380.330 2.780 20 0 GFADRO [NH3+][C@H]1CCc2nc(NC(=O)c3cc4c(c(Br)c3)OCO4)sc2C1 ZINC000288830941 563658840 /nfs/dbraw/zinc/65/88/40/563658840.db2.gz VAFDEUDDKARYKU-QMMMGPOBSA-N 1 0 396.266 2.703 20 0 GFADRO O=C(N1CCO[C@@H](c2cccc(Br)c2)C1)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000435893697 563660011 /nfs/dbraw/zinc/66/00/11/563660011.db2.gz NZHGLHYVIBYFGL-QGPMSJSTSA-N 1 0 379.298 2.739 20 0 GFADRO C[C@H]1CCCC[N@@H+]1CCNC(=O)[C@@H]1CC(=O)Nc2ccc(Br)cc21 ZINC000435919566 563660929 /nfs/dbraw/zinc/66/09/29/563660929.db2.gz ZEIOTHPCWMGJGA-SWLSCSKDSA-N 1 0 394.313 2.866 20 0 GFADRO O=C([C@H]1C[N@@H+]2CCN1CCC2)N1CCC[C@H]1c1ccc(Br)c(F)c1 ZINC000435969702 563661727 /nfs/dbraw/zinc/66/17/27/563661727.db2.gz YUQVSVNWDZNSND-DLBZAZTESA-N 1 0 396.304 2.642 20 0 GFADRO Cc1ncsc1CN(CC(=O)Nc1ccc(Cl)cn1)C[C@@H]1CC[NH2+]C1 ZINC000436047643 563663639 /nfs/dbraw/zinc/66/36/39/563663639.db2.gz ITTYFSGIGLAZKX-CYBMUJFWSA-N 1 0 379.917 2.550 20 0 GFADRO Cc1ncsc1CCS(=O)(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000288984739 563663937 /nfs/dbraw/zinc/66/39/37/563663937.db2.gz BQERKGNWZXNFRK-KRWDZBQOSA-N 1 0 379.551 2.751 20 0 GFADRO OC[C@@H]([NH2+]Cc1ccc(I)c(Cl)c1)C1CCOCC1 ZINC000436113172 563664419 /nfs/dbraw/zinc/66/44/19/563664419.db2.gz YHLVIWKJPCWTTK-CQSZACIVSA-N 1 0 395.668 2.822 20 0 GFADRO C[N@H+](Cc1ccc(I)c(Cl)c1)[C@]1(CO)CCOC1 ZINC000436115688 563664988 /nfs/dbraw/zinc/66/49/88/563664988.db2.gz QGBWIAWNCNWFLL-ZDUSSCGKSA-N 1 0 381.641 2.528 20 0 GFADRO Brc1c(CN2CCC(C[NH+]3CCOCC3)CC2)nc2ccccn21 ZINC000289089681 563667542 /nfs/dbraw/zinc/66/75/42/563667542.db2.gz LFYDFLXZYPLTSN-UHFFFAOYSA-N 1 0 393.329 2.641 20 0 GFADRO [NH3+][C@H]1CCc2nc(NC(=O)COc3cccc(Br)c3)sc2C1 ZINC000289092001 563667799 /nfs/dbraw/zinc/66/77/99/563667799.db2.gz BONGGEHIOYTCHK-JTQLQIEISA-N 1 0 382.283 2.739 20 0 GFADRO CC[N@@H+]1CCCN(C(=O)C(=O)Nc2nc(-c3ccc(C)s3)cs2)CC1 ZINC000289108591 563668579 /nfs/dbraw/zinc/66/85/79/563668579.db2.gz GGQDGKKGAAOTJC-UHFFFAOYSA-N 1 0 378.523 2.673 20 0 GFADRO C[C@@H]([NH2+]C[C@@](C)(O)CNC(=O)OC(C)(C)C)c1ccc(Br)cn1 ZINC000289469646 563675055 /nfs/dbraw/zinc/67/50/55/563675055.db2.gz WUVSCNJQIDQBRL-BDJLRTHQSA-N 1 0 388.306 2.770 20 0 GFADRO C[C@H](O)c1ncc(C[NH2+]C[C@@H](CO)Cc2ccccc2Br)s1 ZINC000289568351 563679498 /nfs/dbraw/zinc/67/94/98/563679498.db2.gz HEVWBQVWGVKZLE-RYUDHWBXSA-N 1 0 385.327 2.900 20 0 GFADRO Cc1cc(Br)cc2cc(C(=O)N3CCN([C@H]4CC[NH2+]C4)CC3)oc21 ZINC000289640135 563681459 /nfs/dbraw/zinc/68/14/59/563681459.db2.gz BXOGIHJQGKDPAY-HNNXBMFYSA-N 1 0 392.297 2.623 20 0 GFADRO CCCC[N@H+](C)CCNC(=O)NCc1cc(Cl)cc(S(=O)(=O)CC)c1 ZINC000413262731 563687456 /nfs/dbraw/zinc/68/74/56/563687456.db2.gz HLTUBMKDKBPYSY-UHFFFAOYSA-N 1 0 389.949 2.665 20 0 GFADRO CCOC(=O)C[C@H](NC(=O)[C@H](CC)[NH+](C)C)c1ccc(Br)cc1 ZINC000413317679 563688639 /nfs/dbraw/zinc/68/86/39/563688639.db2.gz BNJXITZJJKHYQH-GJZGRUSLSA-N 1 0 385.302 2.900 20 0 GFADRO CN(C)C1(C[NH2+][C@@H]2CCS(=O)(=O)c3ccc(Br)cc32)CCC1 ZINC000437108390 563689018 /nfs/dbraw/zinc/68/90/18/563689018.db2.gz FCLGZHVPJGPBHO-CQSZACIVSA-N 1 0 387.343 2.742 20 0 GFADRO CCNC(=O)NC(=O)[C@H](C)[NH2+][C@H](c1cc(Cl)ccc1Cl)[C@H]1CCOC1 ZINC000360025155 563691170 /nfs/dbraw/zinc/69/11/70/563691170.db2.gz XKYYMXCPMDTEST-PGUXBMHVSA-N 1 0 388.295 2.895 20 0 GFADRO CCN(CC)C(=O)CN(C)C(=O)C1CC[NH+](Cc2ccc(Cl)s2)CC1 ZINC000360313077 563691996 /nfs/dbraw/zinc/69/19/96/563691996.db2.gz FNHLOQCHNZAFNE-UHFFFAOYSA-N 1 0 385.961 2.940 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N(C)C[C@H]2CCC[N@H+](C)C2)c(Br)c1 ZINC000437286784 563692522 /nfs/dbraw/zinc/69/25/22/563692522.db2.gz MKXPFZIBOAEBGM-AWEZNQCLSA-N 1 0 396.329 2.805 20 0 GFADRO C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@H]1NC(=O)Cc1ccccc1Br ZINC000360537318 563693398 /nfs/dbraw/zinc/69/33/98/563693398.db2.gz QXVIJYMSUNEWEL-QGPMSJSTSA-N 1 0 395.341 2.997 20 0 GFADRO O=C(c1ccc(C2SCCS2)cc1)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000360585311 563693674 /nfs/dbraw/zinc/69/36/74/563693674.db2.gz RCVAWZUKODUKIX-DLBZAZTESA-N 1 0 378.563 2.836 20 0 GFADRO COc1ccc(C(=O)N2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)cc1Br ZINC000437592546 563697222 /nfs/dbraw/zinc/69/72/22/563697222.db2.gz RVJIZEZYXMNKLZ-JLJPHGGASA-N 1 0 397.313 2.781 20 0 GFADRO O=S(=O)(c1ccc(Cl)s1)N1CCC[N@H+](CC[C@@H]2CCOC2)CC1 ZINC000437739420 563698857 /nfs/dbraw/zinc/69/88/57/563698857.db2.gz AAUSQJSJGQPRKP-CYBMUJFWSA-N 1 0 378.947 2.525 20 0 GFADRO C[C@@H](NC(=O)CN1CCC[C@@H](C(=O)Nc2nccs2)C1)c1cccs1 ZINC000361538887 563699731 /nfs/dbraw/zinc/69/97/31/563699731.db2.gz PYWRQZQLLUOOQH-CHWSQXEVSA-N 1 0 378.523 2.733 20 0 GFADRO Cn1nc(Br)c2c1ncnc2N1CCC[C@@H]([NH+]2CCCCC2)C1 ZINC000361814217 563701451 /nfs/dbraw/zinc/70/14/51/563701451.db2.gz LUPQWGJMVZJZMY-GFCCVEGCSA-N 1 0 379.306 2.581 20 0 GFADRO CC[C@]1(C(=O)N(C)CC(=O)Nc2ccc(Br)cc2C)CC[NH2+]C1 ZINC000361700747 563701470 /nfs/dbraw/zinc/70/14/70/563701470.db2.gz LYYRQUBMZQSSNI-KRWDZBQOSA-N 1 0 382.302 2.544 20 0 GFADRO COc1ccc([C@@H](C)[NH2+][C@H]2CCN(C3CCOCC3)C2=O)cc1Br ZINC000361943531 563701971 /nfs/dbraw/zinc/70/19/71/563701971.db2.gz KPMJAXGRVJSCJE-WBMJQRKESA-N 1 0 397.313 2.888 20 0 GFADRO O=C(c1n[nH]c2ccc(Br)cc21)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000290242097 563702652 /nfs/dbraw/zinc/70/26/52/563702652.db2.gz VNSJDDPBAMQVOP-LBPRGKRZSA-N 1 0 377.286 2.787 20 0 GFADRO Cc1cc(Br)cc(Cl)c1C(=O)N[C@@H](CO)C[NH+]1CCCCC1 ZINC000413820026 563706550 /nfs/dbraw/zinc/70/65/50/563706550.db2.gz QCMKNJKBWBWAHF-CYBMUJFWSA-N 1 0 389.721 2.988 20 0 GFADRO CN(C)C(=O)[C@H]1CCC[C@@H]([NH2+]Cc2nc3ccccn3c2Br)C1 ZINC000290359297 563707065 /nfs/dbraw/zinc/70/70/65/563707065.db2.gz MQOAENCIHFANOZ-QWHCGFSZSA-N 1 0 379.302 2.833 20 0 GFADRO C[NH+](C)CCn1ccc(NC(=O)NC(C)(C)c2ccc(Br)cc2)n1 ZINC000438702410 563709824 /nfs/dbraw/zinc/70/98/24/563709824.db2.gz RUYAIJMAMGKMAZ-UHFFFAOYSA-N 1 0 394.317 3.264 20 0 GFADRO O=C(NC1CC[NH+](Cc2cccs2)CC1)[C@H]1CCCN1c1nccs1 ZINC000363007422 563712120 /nfs/dbraw/zinc/71/21/20/563712120.db2.gz HYJQFOFFMVEIMS-MRXNPFEDSA-N 1 0 376.551 2.954 20 0 GFADRO CNC(=O)[C@H](C)C[N@H+](C)CC(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000363124731 563714996 /nfs/dbraw/zinc/71/49/96/563714996.db2.gz ZTHYBNZKDGLVBD-MLGOLLRUSA-N 1 0 386.323 2.971 20 0 GFADRO C[NH+](C)CCCOc1cnccc1CNC(=O)c1nc(Br)cs1 ZINC000290589971 563715079 /nfs/dbraw/zinc/71/50/79/563715079.db2.gz ILPVTLDLSZZQNH-UHFFFAOYSA-N 1 0 399.314 2.561 20 0 GFADRO Cc1ccc2nc(C[NH2+][C@@H](C)Cn3cc(Br)ccc3=O)cn2c1 ZINC000414065463 563717306 /nfs/dbraw/zinc/71/73/06/563717306.db2.gz FUMWURZGKXVEOD-ZDUSSCGKSA-N 1 0 375.270 2.745 20 0 GFADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]CC(=O)Nc1ccc(Cl)cc1 ZINC000414082204 563718081 /nfs/dbraw/zinc/71/80/81/563718081.db2.gz VCHGCHJIEZPEHK-LLVKDONJSA-N 1 0 398.688 2.881 20 0 GFADRO COc1cc(C[NH2+]CC2(O)Cc3ccccc3C2)cc(Br)c1O ZINC000363317210 563719064 /nfs/dbraw/zinc/71/90/64/563719064.db2.gz WBIMTXXYNNKSFW-UHFFFAOYSA-N 1 0 378.266 2.783 20 0 GFADRO O=C(NCCSC(F)(F)F)NC1CC[NH+](CCc2ccncc2)CC1 ZINC000363379880 563720920 /nfs/dbraw/zinc/72/09/20/563720920.db2.gz YSVPPQCIJRLSHS-UHFFFAOYSA-N 1 0 376.448 2.641 20 0 GFADRO Cc1cccc2c1OC[C@@H]([NH2+][C@H](C)Cn1cc(Br)ccc1=O)C2 ZINC000414148592 563721182 /nfs/dbraw/zinc/72/11/82/563721182.db2.gz SWZZHDWVFUHYCO-CJNGLKHVSA-N 1 0 377.282 2.901 20 0 GFADRO CCS(=O)(=O)NCCC[NH+]1CCC(c2cccc(Br)c2)CC1 ZINC000439312968 563722055 /nfs/dbraw/zinc/72/20/55/563722055.db2.gz DMARZOPCWORGEY-UHFFFAOYSA-N 1 0 389.359 2.958 20 0 GFADRO COCCNC(=O)C1([NH2+][C@H]2CCc3c2cc(Br)cc3Cl)CC1 ZINC000414177626 563722027 /nfs/dbraw/zinc/72/20/27/563722027.db2.gz GEJOQFORHOJMNB-AWEZNQCLSA-N 1 0 387.705 2.975 20 0 GFADRO C[C@@H]([NH2+]C[C@@H](O)CS(=O)(=O)c1cccs1)c1nccc2ccccc21 ZINC000290822002 563722739 /nfs/dbraw/zinc/72/27/39/563722739.db2.gz WZUBLHGQDMJWOF-UKRRQHHQSA-N 1 0 376.503 2.782 20 0 GFADRO O=C(C[NH+]1CCC(c2cccc(Br)c2)CC1)NC[C@H]1CCCO1 ZINC000439334577 563722800 /nfs/dbraw/zinc/72/28/00/563722800.db2.gz XSKCTRVDMACYSA-QGZVFWFLSA-N 1 0 381.314 2.924 20 0 GFADRO Cc1ncc(S(=O)(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)s1 ZINC000363445909 563722854 /nfs/dbraw/zinc/72/28/54/563722854.db2.gz DEQOBPMZBYKCHP-YOEHRIQHSA-N 1 0 379.551 2.983 20 0 GFADRO COCC[N@@H+]1CCCN(C(=O)[C@H]2C[C@H]2c2ccc(Br)cc2)CC1 ZINC000363440613 563722913 /nfs/dbraw/zinc/72/29/13/563722913.db2.gz BKPLDWPBORREOC-IRXDYDNUSA-N 1 0 381.314 2.733 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N2CC[N@@H+](C)CC[C@@H]2C)c(Br)c1 ZINC000439354113 563723132 /nfs/dbraw/zinc/72/31/32/563723132.db2.gz RJXSXQYQUYXNCS-ZDUSSCGKSA-N 1 0 382.302 2.557 20 0 GFADRO CC(C)[NH+]1CCN(C(=O)C2CCN(C(=O)c3ccc(Cl)s3)CC2)CC1 ZINC000363464495 563723835 /nfs/dbraw/zinc/72/38/35/563723835.db2.gz DIPFNTIDRJELKC-UHFFFAOYSA-N 1 0 383.945 2.806 20 0 GFADRO CC(C)[C@@H](CNCc1ccc(S(N)(=O)=O)c(Cl)c1)[NH+]1CCCCCC1 ZINC000414270829 563724839 /nfs/dbraw/zinc/72/48/39/563724839.db2.gz LXBAAGKOEIMGBP-QGZVFWFLSA-N 1 0 387.977 2.978 20 0 GFADRO COC1([C@@H](C)[NH2+][C@H](C)c2ccc(Br)c(S(N)(=O)=O)c2)CCC1 ZINC000414297806 563725276 /nfs/dbraw/zinc/72/52/76/563725276.db2.gz GRIYDVAGIMCJSR-GHMZBOCLSA-N 1 0 391.331 2.705 20 0 GFADRO C[C@@H]1CC[C@@](CO)([N@H+](C)C[C@@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000439444586 563725732 /nfs/dbraw/zinc/72/57/32/563725732.db2.gz OPNWKLSTGVEDRH-SRCQZFHVSA-N 1 0 390.293 2.811 20 0 GFADRO CC[NH+](CC)[C@@H]1CCN(C[C@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000439456509 563726407 /nfs/dbraw/zinc/72/64/07/563726407.db2.gz YIQSNYPJKDIEOU-CVEARBPZSA-N 1 0 389.309 2.744 20 0 GFADRO CC[N@H+](C[C@H](O)COc1cc(F)cc(Br)c1)C[C@H]1CCCO1 ZINC000439455961 563726678 /nfs/dbraw/zinc/72/66/78/563726678.db2.gz XCEYNZBQVGUFQR-LSDHHAIUSA-N 1 0 376.266 2.829 20 0 GFADRO C[C@H]([NH2+]CC1(CS(C)(=O)=O)CCC1)c1ccc(-n2cncn2)cc1Cl ZINC000414332327 563726830 /nfs/dbraw/zinc/72/68/30/563726830.db2.gz RNHGSEYQIMAVHN-ZDUSSCGKSA-N 1 0 382.917 2.786 20 0 GFADRO CC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C1 ZINC000363582954 563727747 /nfs/dbraw/zinc/72/77/47/563727747.db2.gz OZPAAYIICRNJOM-TZMCWYRMSA-N 1 0 384.307 2.804 20 0 GFADRO CCS(=O)(=O)CCC[NH2+][C@H](C)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000414348732 563728522 /nfs/dbraw/zinc/72/85/22/563728522.db2.gz XNFRWPABULLTDB-OAHLLOKOSA-N 1 0 387.567 2.878 20 0 GFADRO COc1c(Cl)cc(NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC3)C2)cc1Cl ZINC000439596180 563728915 /nfs/dbraw/zinc/72/89/15/563728915.db2.gz OIRCZQPESQSFKB-GFCCVEGCSA-N 1 0 386.279 2.636 20 0 GFADRO O=C(CN1CCC[C@@H]1C[N@H+]1CCC[C@@H]1CO)Nc1cccc(Cl)c1Cl ZINC000363638092 563729011 /nfs/dbraw/zinc/72/90/11/563729011.db2.gz PWITUNFCXARNLY-ZIAGYGMSSA-N 1 0 386.323 2.853 20 0 GFADRO Cc1ccc(C[NH+]2CCC(C(=O)Nc3ccc(Br)cn3)CC2)nn1 ZINC000414368500 563730341 /nfs/dbraw/zinc/73/03/41/563730341.db2.gz HETKFFLJEOPMEO-UHFFFAOYSA-N 1 0 390.285 2.793 20 0 GFADRO Cn1cc(C[C@H]2CC[N@H+](C[C@H](O)c3ccc(F)c(Br)c3)C2)cn1 ZINC000363702029 563730757 /nfs/dbraw/zinc/73/07/57/563730757.db2.gz AZWKZUOAKYRDSZ-PXAZEXFGSA-N 1 0 382.277 2.920 20 0 GFADRO Cn1cc(C[C@@H]2CC[N@H+](C[C@H](O)c3ccc(F)c(Br)c3)C2)cn1 ZINC000363702030 563731123 /nfs/dbraw/zinc/73/11/23/563731123.db2.gz AZWKZUOAKYRDSZ-SJCJKPOMSA-N 1 0 382.277 2.920 20 0 GFADRO CN(CC[NH2+]C1CCN(S(=O)(=O)c2cccs2)CC1)c1ccccc1 ZINC000363794437 563733062 /nfs/dbraw/zinc/73/30/62/563733062.db2.gz VFLJZEGKRKHDKL-UHFFFAOYSA-N 1 0 379.551 2.627 20 0 GFADRO Cc1cc(CNc2ccc(CN3CC[NH+](C)CC3)c(Br)c2)nn1C ZINC000414436075 563737539 /nfs/dbraw/zinc/73/75/39/563737539.db2.gz OIUAIPDMHGVAIJ-UHFFFAOYSA-N 1 0 392.345 2.851 20 0 GFADRO O=C(CN1CCC[C@H]1C[N@H+]1CCC[C@@H]1CO)Nc1ccc(Cl)c(Cl)c1 ZINC000364057378 563741327 /nfs/dbraw/zinc/74/13/27/563741327.db2.gz RNXBWPNDVPDNJO-LSDHHAIUSA-N 1 0 386.323 2.853 20 0 GFADRO C[NH2+]C[C@H]1CCN(S(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 ZINC000440417240 563741819 /nfs/dbraw/zinc/74/18/19/563741819.db2.gz XTEMBHUZRILPDD-SECBINFHSA-N 1 0 390.349 2.954 20 0 GFADRO C[NH+](C)[C@H]1CCC[C@@H]1NS(=O)(=O)c1c(Cl)cccc1Br ZINC000414466193 563741989 /nfs/dbraw/zinc/74/19/89/563741989.db2.gz VGGFJLDDIUOYJO-RYUDHWBXSA-N 1 0 381.723 2.864 20 0 GFADRO COC(=O)c1cc(Br)cc(C(=O)N2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)c1 ZINC000291434479 563743097 /nfs/dbraw/zinc/74/30/97/563743097.db2.gz JVWMYACVAWMEHP-BLLLJJGKSA-N 1 0 395.297 2.935 20 0 GFADRO C[C@H]([NH3+])C1CCN(C(=O)[C@H]2CCCN(c3ccc(Br)cn3)C2)CC1 ZINC000364139696 563744514 /nfs/dbraw/zinc/74/45/14/563744514.db2.gz OCNNLOUVQDZXNN-ZFWWWQNUSA-N 1 0 395.345 2.646 20 0 GFADRO COCCCN(C(=O)c1ccc(C)nc1Br)C1CC[NH+](C)CC1 ZINC000291474892 563744663 /nfs/dbraw/zinc/74/46/63/563744663.db2.gz QUUFFUKKAWUVAZ-UHFFFAOYSA-N 1 0 384.318 2.725 20 0 GFADRO COC(=O)CN1CCC([NH2+]Cc2cc(Cl)cc(Br)c2)CC1 ZINC000414504424 563745291 /nfs/dbraw/zinc/74/52/91/563745291.db2.gz NYXOFYLKLSLAKQ-UHFFFAOYSA-N 1 0 375.694 2.830 20 0 GFADRO COc1cc(C[NH2+]CCC(C)(C)S(C)(=O)=O)ccc1OCC(F)(F)F ZINC000414512543 563745419 /nfs/dbraw/zinc/74/54/19/563745419.db2.gz CMJNNGNXAZEQLB-UHFFFAOYSA-N 1 0 383.432 2.939 20 0 GFADRO CS[C@H]1CN(C(=O)c2cc(Cl)ncc2Br)C[C@@H]1[NH+](C)C ZINC000291528335 563746633 /nfs/dbraw/zinc/74/66/33/563746633.db2.gz VTVVKOSRUNPMOJ-QWRGUYRKSA-N 1 0 378.723 2.615 20 0 GFADRO C[NH2+][C@@H]1CCN(S(=O)(=O)c2cc(Br)c(Cl)cc2Cl)C1 ZINC000440737753 563748726 /nfs/dbraw/zinc/74/87/26/563748726.db2.gz MFZAXCHNJWEKIH-SSDOTTSWSA-N 1 0 388.114 2.738 20 0 GFADRO C[NH2+][C@H]1CCN(S(=O)(=O)c2ccc(Br)c(Cl)c2Cl)C1 ZINC000440742349 563749002 /nfs/dbraw/zinc/74/90/02/563749002.db2.gz TZJHXZYIHWKVLV-ZETCQYMHSA-N 1 0 388.114 2.738 20 0 GFADRO Cc1cc(I)ccc1NC(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000414673900 563749125 /nfs/dbraw/zinc/74/91/25/563749125.db2.gz DATHUJHRRIJFKC-ZDUSSCGKSA-N 1 0 385.249 2.958 20 0 GFADRO O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)Nc1ccc(Cl)cc1Cl ZINC000414671182 563749473 /nfs/dbraw/zinc/74/94/73/563749473.db2.gz NHQQVFIMBFYVGV-GFCCVEGCSA-N 1 0 385.217 2.951 20 0 GFADRO COc1ccc(S(=O)(=O)NCc2ccc([C@H](C)[NH3+])cc2)c(Br)c1 ZINC000440762584 563749640 /nfs/dbraw/zinc/74/96/40/563749640.db2.gz RGKLEUPQHZGAGR-NSHDSACASA-N 1 0 399.310 2.956 20 0 GFADRO C[NH2+]Cc1cccc(NC(=O)C(=O)N(C)Cc2cc(Br)cs2)c1 ZINC000414730979 563750957 /nfs/dbraw/zinc/75/09/57/563750957.db2.gz GYDRIHRLKQOPHC-UHFFFAOYSA-N 1 0 396.310 2.827 20 0 GFADRO CC(C)(C)[NH2+]CCN1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000414729419 563751160 /nfs/dbraw/zinc/75/11/60/563751160.db2.gz FGZFFSWLMGBGNQ-UHFFFAOYSA-N 1 0 394.368 2.688 20 0 GFADRO COC[C@@]1(CNCc2ccc(OC(F)F)c(Br)c2)CCC[NH2+]1 ZINC000414936246 563754742 /nfs/dbraw/zinc/75/47/42/563754742.db2.gz BUUZLKCUPRUMID-HNNXBMFYSA-N 1 0 379.245 2.909 20 0 GFADRO C[C@H](C(=O)NCC1CC[NH+](CCN(C)C)CC1)c1cccc(Br)c1 ZINC000291717577 563755139 /nfs/dbraw/zinc/75/51/39/563755139.db2.gz PLKRYMHNTCKSCW-HNNXBMFYSA-N 1 0 396.373 2.942 20 0 GFADRO COc1ccc(Br)cc1NC(=O)N1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000414995021 563756075 /nfs/dbraw/zinc/75/60/75/563756075.db2.gz VOCKOGBCAHCEKT-GFCCVEGCSA-N 1 0 398.301 2.677 20 0 GFADRO CO[C@H]1CCCC[C@@H]1[NH2+]C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000441239708 563756394 /nfs/dbraw/zinc/75/63/94/563756394.db2.gz ATDOVAGBLXQFMS-BPUTZDHNSA-N 1 0 376.266 2.875 20 0 GFADRO CN(Cc1ncc(-c2cccc(Br)c2)o1)C1CC[NH+](CCO)CC1 ZINC000441317857 563757272 /nfs/dbraw/zinc/75/72/72/563757272.db2.gz LVXXKUJJQHDORH-UHFFFAOYSA-N 1 0 394.313 2.993 20 0 GFADRO CCOc1c(Br)cc(C(=O)N2[C@@H]3CC[C@H]2C[C@H]([NH3+])C3)cc1OC ZINC000364562801 563757594 /nfs/dbraw/zinc/75/75/94/563757594.db2.gz RCIUNBLUAMKHEO-XYYAHUGASA-N 1 0 383.286 2.951 20 0 GFADRO [NH3+]CC[C@H](NCc1c(F)ccc(I)c1F)C(F)(F)F ZINC000415054348 563758087 /nfs/dbraw/zinc/75/80/87/563758087.db2.gz LNVKCVWTOXCIFZ-VIFPVBQESA-N 1 0 394.125 2.939 20 0 GFADRO C[C@H]1CCNC(=O)[C@@H]1[NH2+]Cc1ccc(OC(F)(F)F)c(Br)c1 ZINC000441333371 563758246 /nfs/dbraw/zinc/75/82/46/563758246.db2.gz SHAICYHONVILLB-QPUJVOFHSA-N 1 0 381.192 2.962 20 0 GFADRO COc1ccc(Br)c(NC(=O)N2C[C@@H](C[NH3+])C3(C2)CCOCC3)c1 ZINC000415080178 563758433 /nfs/dbraw/zinc/75/84/33/563758433.db2.gz LFSXOWLVMRNJDQ-GFCCVEGCSA-N 1 0 398.301 2.677 20 0 GFADRO COCC1(C[NH2+]Cc2c(Br)cc(OC)cc2OC)CCOCC1 ZINC000291796339 563758777 /nfs/dbraw/zinc/75/87/77/563758777.db2.gz WQYYAKGHYFNYJM-UHFFFAOYSA-N 1 0 388.302 2.999 20 0 GFADRO CN1CCC[C@]2(CC[N@H+](CCC(=O)Nc3ccccc3Br)C2)C1=O ZINC000364610872 563759416 /nfs/dbraw/zinc/75/94/16/563759416.db2.gz KIIPCRYLAQFBBO-GOSISDBHSA-N 1 0 394.313 2.722 20 0 GFADRO CC(C)(O)C[N@@H+]1CCCN(C(=O)Nc2ccc(F)cc2Br)CC1 ZINC000364622825 563759569 /nfs/dbraw/zinc/75/95/69/563759569.db2.gz MIDHYWWBAQKFTG-UHFFFAOYSA-N 1 0 388.281 2.899 20 0 GFADRO CN1CCC[C@@]2(CC[N@H+](Cc3cnc4ccc(Br)cn34)C2)C1=O ZINC000364650324 563759943 /nfs/dbraw/zinc/75/99/43/563759943.db2.gz GSPJQNVYLJUEAG-KRWDZBQOSA-N 1 0 377.286 2.541 20 0 GFADRO O=C(Nc1cc(Cl)ccc1N1CCSCC1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000415127844 563760329 /nfs/dbraw/zinc/76/03/29/563760329.db2.gz WJUXACNUCOUSQK-UONOGXRCSA-N 1 0 380.945 2.966 20 0 GFADRO CN1CCC[C@]2(CC[N@H+](Cc3cc(Br)c4c(c3)OCCO4)C2)C1=O ZINC000364665078 563761008 /nfs/dbraw/zinc/76/10/08/563761008.db2.gz XBAFMDYJRQQXDV-GOSISDBHSA-N 1 0 395.297 2.665 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)Nc2cc(Br)ccc2-n2cccn2)C1 ZINC000415169425 563761889 /nfs/dbraw/zinc/76/18/89/563761889.db2.gz VWBZBFGLNZSGJJ-VXGBXAGGSA-N 1 0 378.274 2.836 20 0 GFADRO C[NH2+][C@H]1CCN(C(=O)Nc2ccc(CCn3cc(Br)cn3)cc2)C1 ZINC000415214452 563762257 /nfs/dbraw/zinc/76/22/57/563762257.db2.gz QLCDZICFLCYETO-INIZCTEOSA-N 1 0 392.301 2.714 20 0 GFADRO [NH3+]C[C@H](NC(=O)Nc1ccc(CCn2cc(Br)cn2)cc1)C1CC1 ZINC000415206290 563762547 /nfs/dbraw/zinc/76/25/47/563762547.db2.gz CKDJXJLMMGKQDN-INIZCTEOSA-N 1 0 392.301 2.747 20 0 GFADRO Cc1cc(Br)ccc1CNC(=O)[C@]1([NH3+])[C@@H]2CCCO[C@H]2C1(C)C ZINC000364729797 563762637 /nfs/dbraw/zinc/76/26/37/563762637.db2.gz IFJMNJKOHPAZGO-IIDMSEBBSA-N 1 0 381.314 2.906 20 0 GFADRO C[NH2+]C[C@@H](C)CNC(=O)Nc1cc(F)c(F)cc1I ZINC000415224574 563763230 /nfs/dbraw/zinc/76/32/30/563763230.db2.gz BBFABGBCQVLKKL-SSDOTTSWSA-N 1 0 383.180 2.546 20 0 GFADRO CCC[NH2+]CCNC(=O)Nc1cc(F)c(F)cc1I ZINC000415236405 563763234 /nfs/dbraw/zinc/76/32/34/563763234.db2.gz FQEKGGZWRFEOJS-UHFFFAOYSA-N 1 0 383.180 2.691 20 0 GFADRO C[N@@H+]1CCC[C@H](CNS(=O)(=O)C[C@@H]2CCOC2)[C@H]1c1cccc(Cl)c1 ZINC000364791527 563764028 /nfs/dbraw/zinc/76/40/28/563764028.db2.gz KDYMEHYNXCYMFE-QGPMSJSTSA-N 1 0 386.945 2.679 20 0 GFADRO C[C@@H]1CN(C(=O)Nc2ccc(F)cc2I)[C@@H](C)C[NH2+]1 ZINC000415252408 563764249 /nfs/dbraw/zinc/76/42/49/563764249.db2.gz OICBBMIVEPJICJ-BDAKNGLRSA-N 1 0 377.201 2.644 20 0 GFADRO [NH3+]C1CCN(C(=O)C(=O)Nc2ccc(Br)c(Cl)c2Cl)CC1 ZINC000415260341 563764627 /nfs/dbraw/zinc/76/46/27/563764627.db2.gz BACRODZOUINJJD-UHFFFAOYSA-N 1 0 395.084 2.644 20 0 GFADRO O=C(Nc1ccc(Br)cc1-c1nc(C2CC2)no1)N1CC[NH2+]CC1 ZINC000415262335 563765039 /nfs/dbraw/zinc/76/50/39/563765039.db2.gz ICGDAODQRYJUDQ-UHFFFAOYSA-N 1 0 392.257 2.814 20 0 GFADRO O=C(Nc1ccc(Br)c(F)c1)C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000441837589 563765050 /nfs/dbraw/zinc/76/50/50/563765050.db2.gz JERHFJOCGDCKBO-LBPRGKRZSA-N 1 0 398.276 2.660 20 0 GFADRO C[NH2+]C[C@H]1CCCN(C(=O)C(=O)Nc2cc3sc(C)nc3cc2Cl)C1 ZINC000415288509 563765560 /nfs/dbraw/zinc/76/55/60/563765560.db2.gz ZGFMVPGEXCJHGY-LLVKDONJSA-N 1 0 380.901 2.655 20 0 GFADRO C[NH+](C)[C@H]1CCc2ccccc2[C@H]1NC(=O)c1c[nH]c(=O)c(Br)c1 ZINC000364833459 563765724 /nfs/dbraw/zinc/76/57/24/563765724.db2.gz KQQOWECJZPQPMS-JKSUJKDBSA-N 1 0 390.281 2.897 20 0 GFADRO C[N@@H+]1CCCC12CCN(C(=O)Cc1ccccc1I)CC2 ZINC000364858626 563765984 /nfs/dbraw/zinc/76/59/84/563765984.db2.gz RPOBHLDRLQKBCY-UHFFFAOYSA-N 1 0 398.288 2.921 20 0 GFADRO O=C(Nc1cc(Cl)ccc1SCC(F)(F)F)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000415296372 563766145 /nfs/dbraw/zinc/76/61/45/563766145.db2.gz CCEABDSOCXDYJQ-SNVBAGLBSA-N 1 0 395.834 2.801 20 0 GFADRO COC[C@@]1(CNC(=O)Nc2ccc(Cl)cc2Br)CCC[NH2+]1 ZINC000415298343 563766282 /nfs/dbraw/zinc/76/62/82/563766282.db2.gz WPMMXRGSALUWNH-AWEZNQCLSA-N 1 0 376.682 2.993 20 0 GFADRO Cc1cc(Br)cc(NC(=O)C(=O)NCC2([NH3+])CCCCCC2)c1 ZINC000415313272 563766684 /nfs/dbraw/zinc/76/66/84/563766684.db2.gz HKIHYWYBZZFRNB-UHFFFAOYSA-N 1 0 382.302 2.864 20 0 GFADRO CCOC(=O)c1c(NC(=O)N2CC[C@H]([NH3+])[C@H](C)C2)sc2c1CCSC2 ZINC000415326546 563767554 /nfs/dbraw/zinc/76/75/54/563767554.db2.gz ANYKHZBOOJHYTJ-PWSUYJOCSA-N 1 0 383.539 2.915 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000442161983 563768247 /nfs/dbraw/zinc/76/82/47/563768247.db2.gz SVMGPFYSVOPZTJ-OCCSQVGLSA-N 1 0 382.302 2.603 20 0 GFADRO CCOC(=O)c1c(NC(=O)N2CCC[C@@H]([NH2+]C)C2)sc2c1CCSC2 ZINC000415342320 563768293 /nfs/dbraw/zinc/76/82/93/563768293.db2.gz QLOIJYZVRZXHLS-LLVKDONJSA-N 1 0 383.539 2.930 20 0 GFADRO C[C@H]1C[C@H](NC(=O)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC[N@@H+]1C ZINC000442138470 563768722 /nfs/dbraw/zinc/76/87/22/563768722.db2.gz PFDKSOZHNZOHJP-GXSJLCMTSA-N 1 0 377.794 2.896 20 0 GFADRO C[C@@H](C(=O)N1CCCCC1)[NH+]1CCC(Cn2cc(Br)cn2)CC1 ZINC000364918134 563768780 /nfs/dbraw/zinc/76/87/80/563768780.db2.gz QPWZBDNAVXGHMO-AWEZNQCLSA-N 1 0 383.334 2.759 20 0 GFADRO COCC[NH2+]CCNC(=O)Nc1ccc(C(F)(F)F)cc1Br ZINC000415347405 563768965 /nfs/dbraw/zinc/76/89/65/563768965.db2.gz DEUBUKZLEAAPAU-UHFFFAOYSA-N 1 0 384.196 2.825 20 0 GFADRO NC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@@H+]1CCC(=O)Nc1ccc(Br)cc1F ZINC000364951570 563769352 /nfs/dbraw/zinc/76/93/52/563769352.db2.gz HKGWMSNMMHURBR-XAGWURHQSA-N 1 0 398.276 2.503 20 0 GFADRO [NH3+]C1CCC(NC(=O)Nc2cccc(F)c2I)CC1 ZINC000415353706 563769434 /nfs/dbraw/zinc/76/94/34/563769434.db2.gz CTLXKQXMHQTTRB-UHFFFAOYSA-N 1 0 377.201 2.822 20 0 GFADRO C[NH2+]C[C@@H]1CCCN1C(=O)Nc1cccc(F)c1I ZINC000415353728 563769580 /nfs/dbraw/zinc/76/95/80/563769580.db2.gz CXVHIUATFGLQBS-VIFPVBQESA-N 1 0 377.201 2.646 20 0 GFADRO C[NH2+]C[C@H]1CCN(C(=O)Nc2cccc(F)c2I)C1 ZINC000415352223 563769591 /nfs/dbraw/zinc/76/95/91/563769591.db2.gz AUBRBGMXVRRDRK-SECBINFHSA-N 1 0 377.201 2.504 20 0 GFADRO CCOC(=O)c1cc(Br)ccc1NC(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000415355451 563770155 /nfs/dbraw/zinc/77/01/55/563770155.db2.gz TZQQYMFZYFFJSR-GXFFZTMASA-N 1 0 384.274 2.745 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)Nc2ccc(C(F)(F)F)cc2Br)CCO1 ZINC000415362409 563770571 /nfs/dbraw/zinc/77/05/71/563770571.db2.gz VNDDRUMBULKTGA-SECBINFHSA-N 1 0 382.180 2.659 20 0 GFADRO CC(C)C[C@@H](C[NH3+])NC(=O)Nc1cccc(F)c1I ZINC000415363783 563770619 /nfs/dbraw/zinc/77/06/19/563770619.db2.gz QZNCPUXWIDAQGL-VIFPVBQESA-N 1 0 379.217 2.925 20 0 GFADRO O=C(CC[C@H]1CCC[NH2+]1)Nc1cc(Br)ccc1N1CCOCC1 ZINC000292046594 563771509 /nfs/dbraw/zinc/77/15/09/563771509.db2.gz IRYSVNUFHUEDMV-CQSZACIVSA-N 1 0 382.302 2.756 20 0 GFADRO C[C@@H](CNC(=O)[C@@H](C)c1cccc(Br)c1)C[NH+]1CCN(C)CC1 ZINC000292049803 563771545 /nfs/dbraw/zinc/77/15/45/563771545.db2.gz GNKWPANWVSWWIO-GJZGRUSLSA-N 1 0 382.346 2.552 20 0 GFADRO CN1CCN(C2CCN(C(=O)Nc3cccc(Cl)c3Cl)CC2)C(=O)C1 ZINC000365021823 563771701 /nfs/dbraw/zinc/77/17/01/563771701.db2.gz SIRJXGNSIKEBLV-UHFFFAOYSA-N 1 0 385.295 2.764 20 0 GFADRO CCCN(C(=O)C(=O)Nc1cc(Br)c(C)cc1C)[C@@H]1CC[NH2+]C1 ZINC000415384825 563771970 /nfs/dbraw/zinc/77/19/70/563771970.db2.gz DLKJFUPIYYGYHL-CYBMUJFWSA-N 1 0 382.302 2.605 20 0 GFADRO Cc1cnc(Br)c(NC(=O)NCCCC[N@@H+]2CCC[C@@H]2CO)c1 ZINC000292059174 563772230 /nfs/dbraw/zinc/77/22/30/563772230.db2.gz NRSKRNUOQXGYEW-CYBMUJFWSA-N 1 0 385.306 2.511 20 0 GFADRO C[C@H]1CN(S(=O)(=O)c2cccnc2C(F)(F)F)CC[N@@H+](C2CCC2)C1 ZINC000292066429 563772354 /nfs/dbraw/zinc/77/23/54/563772354.db2.gz PHFDDWNPJHURIZ-GFCCVEGCSA-N 1 0 377.432 2.595 20 0 GFADRO Cc1cc(F)c(NC(=O)N2CCC[NH2+]CC2)c(I)c1 ZINC000415400469 563772576 /nfs/dbraw/zinc/77/25/76/563772576.db2.gz ZUNJBHHGRFYMOB-UHFFFAOYSA-N 1 0 377.201 2.566 20 0 GFADRO Cc1cc(F)c(NC(=O)N2CCC[C@@H]([NH3+])C2)c(I)c1 ZINC000415393586 563772700 /nfs/dbraw/zinc/77/27/00/563772700.db2.gz PITCWDFVEVKJFE-SECBINFHSA-N 1 0 377.201 2.694 20 0 GFADRO COC(=O)c1nc(N[C@@H]2CC[N@H+](Cc3cnc(C)s3)C[C@@H]2C)sc1C ZINC000365052795 563772684 /nfs/dbraw/zinc/77/26/84/563772684.db2.gz KKMBOIXWSAQBJB-IINYFYTJSA-N 1 0 380.539 3.326 20 0 GFADRO COC(=O)c1cc(NC(=O)NCC2(C)CC[NH2+]CC2)ccc1Br ZINC000415402722 563773088 /nfs/dbraw/zinc/77/30/88/563773088.db2.gz JLCKMVNHVQZAQC-UHFFFAOYSA-N 1 0 384.274 2.747 20 0 GFADRO CCOc1c(Cl)cc(NC(=O)C(=O)NCC[C@H]2CCC[NH2+]C2)cc1Cl ZINC000415408293 563773126 /nfs/dbraw/zinc/77/31/26/563773126.db2.gz GWQUPMDKRSQINM-LLVKDONJSA-N 1 0 388.295 2.837 20 0 GFADRO CCCN(C(=O)C(=O)Nc1cc2sc(C)nc2cc1Cl)[C@@H]1CC[NH2+]C1 ZINC000415403617 563773216 /nfs/dbraw/zinc/77/32/16/563773216.db2.gz LVLQFWGWNIPMEQ-LLVKDONJSA-N 1 0 380.901 2.797 20 0 GFADRO COc1cc(NC(=O)NC[C@@]2(C)CCC[NH2+]C2)cc(OC)c1Br ZINC000415406626 563773310 /nfs/dbraw/zinc/77/33/10/563773310.db2.gz DWGSQHXIPSZYST-INIZCTEOSA-N 1 0 386.290 2.978 20 0 GFADRO COC(=O)c1cc(NC(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)ccc1Br ZINC000415412478 563773602 /nfs/dbraw/zinc/77/36/02/563773602.db2.gz XKYIOFAHLIDYSD-MNOVXSKESA-N 1 0 384.274 2.875 20 0 GFADRO O=C(NCC[C@H]1CC[NH2+]C1)C(=O)Nc1ccc(Br)c2ccccc12 ZINC000415414158 563773606 /nfs/dbraw/zinc/77/36/06/563773606.db2.gz ZJNDWEVJEKLIME-GFCCVEGCSA-N 1 0 390.281 2.657 20 0 GFADRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)Nc1cc(C)ccc1SCC(F)(F)F ZINC000415417594 563774116 /nfs/dbraw/zinc/77/41/16/563774116.db2.gz QEGCEERAZBBQHI-LLVKDONJSA-N 1 0 377.432 2.560 20 0 GFADRO Cc1ccc(I)cc1C(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000292107395 563774529 /nfs/dbraw/zinc/77/45/29/563774529.db2.gz FPKVLUYUWBFGKE-MRXNPFEDSA-N 1 0 384.261 2.767 20 0 GFADRO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)Nc2c(C)cc(Br)cc2C)C1 ZINC000442579315 563774585 /nfs/dbraw/zinc/77/45/85/563774585.db2.gz UMYVACWAKXPZJW-OAHLLOKOSA-N 1 0 396.329 2.947 20 0 GFADRO COCCOc1ccc(Br)cc1NC(=O)NCC[C@H]1CCC[NH2+]1 ZINC000415426695 563774932 /nfs/dbraw/zinc/77/49/32/563774932.db2.gz NUNIJFFLGDBSPJ-CYBMUJFWSA-N 1 0 386.290 2.738 20 0 GFADRO C[N@@H+]1CC[C@@]2(CCN(C(=O)C[C@H]3Sc4ccc(Cl)cc4NC3=O)C2)C1 ZINC000292130791 563775443 /nfs/dbraw/zinc/77/54/43/563775443.db2.gz HGBIUHJMFRRKAL-CRAIPNDOSA-N 1 0 379.913 2.697 20 0 GFADRO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)Nc1cc(F)c(Br)cc1Cl ZINC000415434896 563775527 /nfs/dbraw/zinc/77/55/27/563775527.db2.gz WUQOCHVGHGUOOF-MRVPVSSYSA-N 1 0 394.672 2.670 20 0 GFADRO CS(=O)(=O)c1ccc(NC(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)cc1C(F)F ZINC000415438717 563775580 /nfs/dbraw/zinc/77/55/80/563775580.db2.gz QAVQVLCTCBLKAI-GHMZBOCLSA-N 1 0 375.441 2.667 20 0 GFADRO CC(C)c1cc(Br)ccc1NC(=O)C(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000415432940 563775795 /nfs/dbraw/zinc/77/57/95/563775795.db2.gz HQWWJJXRDGTKLC-SMDDNHRTSA-N 1 0 382.302 2.707 20 0 GFADRO [NH3+]CC[C@H]1CCCN(C(=O)[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C1 ZINC000442621993 563776050 /nfs/dbraw/zinc/77/60/50/563776050.db2.gz VJNBIWUOPWQKPT-TZMCWYRMSA-N 1 0 384.307 2.934 20 0 GFADRO C[C@H]1CN(C(=O)C(=O)Nc2cccc(Cl)c2SCC(F)F)CC[C@@H]1[NH3+] ZINC000415450591 563776235 /nfs/dbraw/zinc/77/62/35/563776235.db2.gz JVMLTMJLWKPVPF-ONGXEEELSA-N 1 0 391.871 2.831 20 0 GFADRO CCOc1c(Cl)cc(NC(=O)C(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)cc1Cl ZINC000415442093 563776278 /nfs/dbraw/zinc/77/62/78/563776278.db2.gz PSPRPRYFFWXHIQ-MNOVXSKESA-N 1 0 388.295 2.916 20 0 GFADRO COC(=O)c1cc(Br)c(F)cc1NC(=O)N1C[C@@H](C)[NH2+]C[C@H]1C ZINC000415465749 563776916 /nfs/dbraw/zinc/77/69/16/563776916.db2.gz FSCQWSLYPGUSMD-RKDXNWHRSA-N 1 0 388.237 2.589 20 0 GFADRO [NH3+]C[C@@H](NC(=O)C(=O)Nc1cc(Cl)ccc1SCC(F)(F)F)C1CC1 ZINC000415454348 563777003 /nfs/dbraw/zinc/77/70/03/563777003.db2.gz NXSUDZHHDSSFCG-LLVKDONJSA-N 1 0 395.834 2.786 20 0 GFADRO O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000415494714 563779124 /nfs/dbraw/zinc/77/91/24/563779124.db2.gz ZYAMADPCFDTRCS-KOLCDFICSA-N 1 0 375.778 2.650 20 0 GFADRO C[C@]1(C[NH3+])CCN(C(=O)Nc2nnc(-c3cccc(Br)c3)s2)C1 ZINC000415507200 563780311 /nfs/dbraw/zinc/78/03/11/563780311.db2.gz UZJXTCOFHYFEGY-OAHLLOKOSA-N 1 0 396.314 3.170 20 0 GFADRO C[C@H]1CCN(C(=O)Nc2nnc(-c3c(F)cccc3Cl)s2)C[C@H]1C[NH3+] ZINC000415506443 563780389 /nfs/dbraw/zinc/78/03/89/563780389.db2.gz AUJMETLVWRNTGG-VHSXEESVSA-N 1 0 383.880 3.446 20 0 GFADRO C[C@@H]1CN(C(=O)Nc2ccnn2Cc2ccccc2Br)CC[C@H]1[NH3+] ZINC000415520650 563781510 /nfs/dbraw/zinc/78/15/10/563781510.db2.gz IWAOMYPOXLVVTC-IUODEOHRSA-N 1 0 392.301 2.895 20 0 GFADRO C[C@H]1CN(C(=O)Nc2ccnn2Cc2cccc(Br)c2)CC[C@H]1[NH3+] ZINC000415524053 563781848 /nfs/dbraw/zinc/78/18/48/563781848.db2.gz BQUDUJBZPPYROF-SWLSCSKDSA-N 1 0 392.301 2.895 20 0 GFADRO CC[NH+]1CCN(CCNC(=O)C2(Cc3ccccc3Br)CC2)CC1 ZINC000292308565 563782086 /nfs/dbraw/zinc/78/20/86/563782086.db2.gz QOGIXWMLKOYONK-UHFFFAOYSA-N 1 0 394.357 2.526 20 0 GFADRO C[NH2+]C[C@@H](C)CNC(=O)Nc1ccnn1Cc1cccc(Br)c1 ZINC000415527306 563782528 /nfs/dbraw/zinc/78/25/28/563782528.db2.gz NKFFVFZZSHUMRM-GFCCVEGCSA-N 1 0 380.290 2.671 20 0 GFADRO CN(C(=O)Nc1ccnn1Cc1ccc(Br)cc1)[C@@H](C[NH3+])C1CC1 ZINC000415529294 563782548 /nfs/dbraw/zinc/78/25/48/563782548.db2.gz MZOSZJDDDFIIDM-HNNXBMFYSA-N 1 0 392.301 2.895 20 0 GFADRO C[C@@H](CCC[NH3+])NC(=O)Nc1ccnn1Cc1ccc(Br)cc1 ZINC000415529267 563782576 /nfs/dbraw/zinc/78/25/76/563782576.db2.gz MYRVXBYJMNFVAY-LBPRGKRZSA-N 1 0 380.290 2.943 20 0 GFADRO CC[NH2+][C@H](C)CNC(=O)Nc1ccnn1Cc1cccc(Br)c1 ZINC000415528908 563782595 /nfs/dbraw/zinc/78/25/95/563782595.db2.gz QVFTWXFEPLEXIN-GFCCVEGCSA-N 1 0 380.290 2.813 20 0 GFADRO Cc1ccc(-n2cnnc2SCC(=O)NC[C@@H](C)C[NH+](C)C)cc1Cl ZINC000292332869 563782690 /nfs/dbraw/zinc/78/26/90/563782690.db2.gz JXFPKBFHPQBBPU-GFCCVEGCSA-N 1 0 381.933 2.635 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)NC[C@@H](C)C[NH+](C)C ZINC000292349475 563783396 /nfs/dbraw/zinc/78/33/96/563783396.db2.gz KWWSNSYONCBRGK-CABCVRRESA-N 1 0 386.583 2.665 20 0 GFADRO C[NH2+]CCC1CCN(C(=O)C(=O)Nc2cc(Cl)c(Cl)cc2OC)CC1 ZINC000415556116 563784219 /nfs/dbraw/zinc/78/42/19/563784219.db2.gz VIAFKQVQPSZNPP-UHFFFAOYSA-N 1 0 388.295 2.789 20 0 GFADRO CN(C(=O)c1ccn(-c2ccc(Br)cc2)n1)C1CC[NH+](C)CC1 ZINC000292388201 563784775 /nfs/dbraw/zinc/78/47/75/563784775.db2.gz VIMPHFXKKNRWIS-UHFFFAOYSA-N 1 0 377.286 2.801 20 0 GFADRO COC(=O)c1c(C)c(NC(=O)N2CCC(C[NH3+])CC2)ccc1Br ZINC000415591211 563785766 /nfs/dbraw/zinc/78/57/66/563785766.db2.gz AFBAEGRLFKUZRZ-UHFFFAOYSA-N 1 0 384.274 2.747 20 0 GFADRO COC(=O)c1c(Br)ccc(NC(=O)N[C@H]2CC[NH2+][C@@H](C)C2)c1C ZINC000415597339 563786263 /nfs/dbraw/zinc/78/62/63/563786263.db2.gz JGVAAQYOBNVSCJ-ONGXEEELSA-N 1 0 384.274 2.806 20 0 GFADRO COC(=O)c1c(C)c(NC(=O)N[C@@H]2CC[C@H](C[NH3+])C2)ccc1Br ZINC000415594416 563786373 /nfs/dbraw/zinc/78/63/73/563786373.db2.gz GIDDPIWDWRGTBQ-WDEREUQCSA-N 1 0 384.274 2.793 20 0 GFADRO COc1ccc(NC(=O)N2C[C@@H](C[NH3+])C[C@H]2C)c(I)c1 ZINC000415602548 563787098 /nfs/dbraw/zinc/78/70/98/563787098.db2.gz YDVOTEVQXITCFT-NXEZZACHSA-N 1 0 389.237 2.501 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)Nc2ccc(OC(F)(F)F)c(Br)c2)CCO1 ZINC000415629806 563788738 /nfs/dbraw/zinc/78/87/38/563788738.db2.gz JDFBPXKDPVDJRW-SECBINFHSA-N 1 0 398.179 2.539 20 0 GFADRO CC1(CNC(=O)Nc2nnc(-c3ccc(Cl)cc3F)s2)CC[NH2+]CC1 ZINC000415631334 563788928 /nfs/dbraw/zinc/78/89/28/563788928.db2.gz MKPPYKJENPUEKE-UHFFFAOYSA-N 1 0 383.880 3.509 20 0 GFADRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)Nc1ccc(Br)c2ccccc12 ZINC000415632473 563789322 /nfs/dbraw/zinc/78/93/22/563789322.db2.gz XWQJZHGKLZUEGJ-BZNIZROVSA-N 1 0 390.281 2.655 20 0 GFADRO C[NH2+][C@@H]1CCN(C(=O)Nc2cc(Br)cc(C(=O)N3CCCC3)c2)C1 ZINC000415643728 563789816 /nfs/dbraw/zinc/78/98/16/563789816.db2.gz YAFTYGGMCKSFAK-CQSZACIVSA-N 1 0 395.301 2.511 20 0 GFADRO CC[C@@H]([NH3+])CNC(=O)Nc1cc(Br)cc(C(=O)N2CCCC2)c1 ZINC000415643158 563789828 /nfs/dbraw/zinc/78/98/28/563789828.db2.gz XAXWSQDPKQPIAY-CYBMUJFWSA-N 1 0 383.290 2.544 20 0 GFADRO [NH3+][C@H]1CCC[C@@H](NC(=O)C(=O)Nc2cc(F)c(Br)c(Cl)c2)C1 ZINC000415645296 563790178 /nfs/dbraw/zinc/79/01/78/563790178.db2.gz LLIJWAFQALBSIX-JGVFFNPUSA-N 1 0 392.656 2.566 20 0 GFADRO CC(C)(C)[C@@H]1C[C@H]([NH2+]CCNS(=O)(=O)c2ccc(F)cc2F)CS1 ZINC000443068766 563790332 /nfs/dbraw/zinc/79/03/32/563790332.db2.gz LLCPRKHGKDSYED-WFASDCNBSA-N 1 0 378.510 2.753 20 0 GFADRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C(=O)Nc1cccnc1-c1ccc(Cl)s1 ZINC000415661524 563790475 /nfs/dbraw/zinc/79/04/75/563790475.db2.gz BDHKFVGGKTWDHW-QWRGUYRKSA-N 1 0 378.885 2.659 20 0 GFADRO CC[C@@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1cc(Cl)ccc1C(=O)OC ZINC000443083012 563790901 /nfs/dbraw/zinc/79/09/01/563790901.db2.gz CDWGVXWAOZXGNC-CQSZACIVSA-N 1 0 388.917 2.669 20 0 GFADRO Cc1ccc(-c2csc(NC(=O)C(=O)N3CCC[C@H](CC[NH3+])C3)n2)s1 ZINC000415678296 563791166 /nfs/dbraw/zinc/79/11/66/563791166.db2.gz OGTLQAFTFIVWCH-GFCCVEGCSA-N 1 0 378.523 2.706 20 0 GFADRO Cc1cc(Br)cc(Cl)c1NC(=O)C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000415690849 563791382 /nfs/dbraw/zinc/79/13/82/563791382.db2.gz MQQHVPPJPPNPAA-HNNXBMFYSA-N 1 0 388.693 2.547 20 0 GFADRO Cc1cc(I)cc(NC(=O)N[C@@H](CC[NH3+])C(F)F)c1 ZINC000415708388 563792718 /nfs/dbraw/zinc/79/27/18/563792718.db2.gz LIXFQMJFNUMKCJ-JTQLQIEISA-N 1 0 383.180 2.704 20 0 GFADRO COC(=O)c1cc(NC(=O)N2CC[C@@H]([C@H](C)[NH3+])C2)c(C)cc1Br ZINC000415713184 563792831 /nfs/dbraw/zinc/79/28/31/563792831.db2.gz WMGVNZTYQPTVNE-WDEREUQCSA-N 1 0 384.274 2.745 20 0 GFADRO CC1CCN(c2ccc(CNC(=O)c3nn(C)cc3Br)cn2)CC1 ZINC000292664224 563793044 /nfs/dbraw/zinc/79/30/44/563793044.db2.gz ONPMQTDLXHURBW-UHFFFAOYSA-N 1 0 392.301 2.744 20 0 GFADRO Cc1c2cc(Cl)ccc2oc1S(=O)(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000443157268 563793565 /nfs/dbraw/zinc/79/35/65/563793565.db2.gz QUFUXXWVJJNAJJ-CQSZACIVSA-N 1 0 386.901 2.520 20 0 GFADRO C[NH2+]C[C@H](C)CNC(=O)Nc1cc(Cl)ccc1I ZINC000415756093 563794264 /nfs/dbraw/zinc/79/42/64/563794264.db2.gz KWQHMUSFMXHVFN-QMMMGPOBSA-N 1 0 381.645 2.922 20 0 GFADRO O=C(Nc1cc(Cl)ccc1I)N1CCC[NH2+]CC1 ZINC000415751536 563794422 /nfs/dbraw/zinc/79/44/22/563794422.db2.gz AWBVBZKWVHDBKX-UHFFFAOYSA-N 1 0 379.629 2.772 20 0 GFADRO Cc1cc(Br)cc(Cl)c1NC(=O)C(=O)N[C@@H](C)CCC[NH3+] ZINC000415759665 563795023 /nfs/dbraw/zinc/79/50/23/563795023.db2.gz KNNRTJHYSOTJMC-VIFPVBQESA-N 1 0 376.682 2.593 20 0 GFADRO CC(C)(CCC[NH3+])NC(=O)C(=O)Nc1cccc2cc(Br)cnc21 ZINC000415763230 563795087 /nfs/dbraw/zinc/79/50/87/563795087.db2.gz QPDBVJJFKSMNEF-UHFFFAOYSA-N 1 0 393.285 2.570 20 0 GFADRO Cc1ccc(SCC(F)(F)F)c(NC(=O)C(=O)N[C@H](C)CCC[NH3+])c1 ZINC000415764851 563795220 /nfs/dbraw/zinc/79/52/20/563795220.db2.gz UEELCIYSLKLUDU-LLVKDONJSA-N 1 0 377.432 2.832 20 0 GFADRO COc1cc(I)ccc1NC(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000415773107 563795584 /nfs/dbraw/zinc/79/55/84/563795584.db2.gz LRGUYPWDBIQTIV-AWEZNQCLSA-N 1 0 389.237 2.502 20 0 GFADRO COc1cc(I)ccc1NC(=O)N1C[C@H](C[NH3+])C[C@@H]1C ZINC000415771847 563795589 /nfs/dbraw/zinc/79/55/89/563795589.db2.gz IHZQDBGQMSHPOO-UWVGGRQHSA-N 1 0 389.237 2.501 20 0 GFADRO COc1cc(I)ccc1NC(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000415770651 563795618 /nfs/dbraw/zinc/79/56/18/563795618.db2.gz GUTRLFKJPBZQOU-QWRGUYRKSA-N 1 0 389.237 2.691 20 0 GFADRO O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000415766801 563795693 /nfs/dbraw/zinc/79/56/93/563795693.db2.gz MHPCSIZMGAVQQL-RNCFNFMXSA-N 1 0 375.778 2.508 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)Nc2cccc3c(Br)ccnc23)CCCO1 ZINC000415787325 563796173 /nfs/dbraw/zinc/79/61/73/563796173.db2.gz KYHWCCHDSOZKCN-NSHDSACASA-N 1 0 379.258 2.579 20 0 GFADRO COc1cc(I)ccc1NC(=O)N1CCCC[C@@H]1C[NH3+] ZINC000415776324 563796393 /nfs/dbraw/zinc/79/63/93/563796393.db2.gz XCMWMIHIQIKEJH-LLVKDONJSA-N 1 0 389.237 2.645 20 0 GFADRO [NH3+][C@H]1CCC[C@H](CNC(=O)C(=O)Nc2cc3c(cc2Br)CCC3)C1 ZINC000415819501 563798184 /nfs/dbraw/zinc/79/81/84/563798184.db2.gz YERSOSPPQMWOMK-FZMZJTMJSA-N 1 0 394.313 2.510 20 0 GFADRO O=C(Nc1cnn(Cc2ccc(Br)cc2Cl)c1)N[C@H]1CC[NH2+]C1 ZINC000415822900 563798523 /nfs/dbraw/zinc/79/85/23/563798523.db2.gz RBZVBPVEZOZLCM-LBPRGKRZSA-N 1 0 398.692 2.831 20 0 GFADRO [NH3+]CC[C@@H](NC(=O)C(=O)Nc1cc(Cl)c(Cl)cc1Cl)C(F)(F)F ZINC000415832119 563798804 /nfs/dbraw/zinc/79/88/04/563798804.db2.gz IIDUUACEBMJWJF-SECBINFHSA-N 1 0 392.592 2.981 20 0 GFADRO Cc1cc(Br)cc(NC(=O)C(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000415851693 563799478 /nfs/dbraw/zinc/79/94/78/563799478.db2.gz IJLZWYKRBDCMAX-ZIAGYGMSSA-N 1 0 394.313 2.544 20 0 GFADRO CCOc1c(Cl)cc(NC(=O)C(=O)NCCC2=CC[NH2+]CC2)cc1Cl ZINC000415866051 563799809 /nfs/dbraw/zinc/79/98/09/563799809.db2.gz BFNMLLDMPNGBSS-UHFFFAOYSA-N 1 0 386.279 2.757 20 0 GFADRO CC(C)Sc1ccc(Cl)cc1NC(=O)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000415895851 563800156 /nfs/dbraw/zinc/80/01/56/563800156.db2.gz QBKZWADECPXQEH-CHWSQXEVSA-N 1 0 381.929 2.847 20 0 GFADRO CC[NH2+]Cc1ccccc1NC(=O)NCCn1cc(Br)ccc1=O ZINC000415929658 563800455 /nfs/dbraw/zinc/80/04/55/563800455.db2.gz IUTRVBFUSAGYOA-UHFFFAOYSA-N 1 0 393.285 2.542 20 0 GFADRO CNC(=O)CC[N@@H+]1CCC[C@@H]1c1nc(-c2ccccc2Br)no1 ZINC000443337160 563802167 /nfs/dbraw/zinc/80/21/67/563802167.db2.gz ZXZBQDXHCWMRON-CYBMUJFWSA-N 1 0 379.258 2.772 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2cccc(Br)c2)C[C@H]1C ZINC000443368387 563803255 /nfs/dbraw/zinc/80/32/55/563803255.db2.gz FQAUBOLNNWWFGO-IUODEOHRSA-N 1 0 382.302 2.719 20 0 GFADRO CSC[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(Cl)c(CN(C)C)c2)C1 ZINC000293178683 563803251 /nfs/dbraw/zinc/80/32/51/563803251.db2.gz ALGCAMJAWVXUOI-CYBMUJFWSA-N 1 0 383.945 2.942 20 0 GFADRO O=C(NCC[C@H]1CCC[NH2+]C1)[C@H]1CCCN(c2ccc(Br)cn2)C1 ZINC000366350092 563806151 /nfs/dbraw/zinc/80/61/51/563806151.db2.gz ZHLYUXQJHSFOEV-CABCVRRESA-N 1 0 395.345 2.566 20 0 GFADRO C[N@@H+](Cc1ccc(OCC(F)(F)F)cc1)C[C@@H](O)COCC(F)(F)F ZINC000293283161 563806741 /nfs/dbraw/zinc/80/67/41/563806741.db2.gz JUNOMYDSRVZGCU-GFCCVEGCSA-N 1 0 375.309 2.999 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)COc1cccc(Br)c1 ZINC000366438095 563808118 /nfs/dbraw/zinc/80/81/18/563808118.db2.gz NIOMMBMBJCWJFI-OIISXLGYSA-N 1 0 397.313 2.538 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2C(=O)c1cc(Br)ccc1F ZINC000366434393 563808245 /nfs/dbraw/zinc/80/82/45/563808245.db2.gz FRVWVUQOJCCEPB-UHOFOFEASA-N 1 0 385.277 2.912 20 0 GFADRO O=S(=O)(c1sccc1Br)N1CCC[C@H]2C[NH2+]CCC[C@@H]21 ZINC000366487210 563810653 /nfs/dbraw/zinc/81/06/53/563810653.db2.gz SNVKCHUQCNXDRK-JQWIXIFHSA-N 1 0 379.345 2.663 20 0 GFADRO O=C(c1cc(-c2ccc(Br)cc2)n[nH]1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000293392672 563810971 /nfs/dbraw/zinc/81/09/71/563810971.db2.gz MANMDXSFXDZUHJ-TZMCWYRMSA-N 1 0 375.270 2.663 20 0 GFADRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NS(=O)(=O)c1ccc(Br)c(Cl)c1 ZINC000443766279 563811909 /nfs/dbraw/zinc/81/19/09/563811909.db2.gz ULFIXOLATLHSOF-YMTOWFKASA-N 1 0 393.734 2.864 20 0 GFADRO O=C(c1ccc(F)c(Br)c1)N1CC[C@H](OCC[NH+]2CCCC2)C1 ZINC000443871253 563812907 /nfs/dbraw/zinc/81/29/07/563812907.db2.gz XBPHHSDYGNFSRQ-AWEZNQCLSA-N 1 0 385.277 2.915 20 0 GFADRO COc1ccc(C(=O)N2CC[C@H](OCC[NH+]3CCCC3)C2)cc1Br ZINC000443866265 563813351 /nfs/dbraw/zinc/81/33/51/563813351.db2.gz DXDLHEZHRWIWNA-HNNXBMFYSA-N 1 0 397.313 2.785 20 0 GFADRO COC(=O)c1cc(Br)cc(C(=O)N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)c1 ZINC000293508752 563815971 /nfs/dbraw/zinc/81/59/71/563815971.db2.gz ZJSWVVXQVGFCBH-WBMJQRKESA-N 1 0 395.297 2.935 20 0 GFADRO COc1cc(OC)c(S(=O)(=O)NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)cc1Cl ZINC000416375257 563819014 /nfs/dbraw/zinc/81/90/14/563819014.db2.gz RLLQKOSVAQBIOH-CHWSQXEVSA-N 1 0 390.933 2.756 20 0 GFADRO Cc1sccc1C[NH2+]Cc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 ZINC000293673530 563821004 /nfs/dbraw/zinc/82/10/04/563821004.db2.gz UYPSQOWOHBAUHT-QGZVFWFLSA-N 1 0 380.535 2.804 20 0 GFADRO CCCN(CC[NH+](C)C)C(=O)c1cnc2ccc(Br)cc2c1O ZINC000444178378 563823186 /nfs/dbraw/zinc/82/31/86/563823186.db2.gz AENDVQSZLIKJIW-UHFFFAOYSA-N 1 0 380.286 2.704 20 0 GFADRO CS(=O)(=O)N1CC[C@@H](C[N@@H+]2CCC[C@H]2c2ccccc2Br)C1 ZINC000366887114 563823728 /nfs/dbraw/zinc/82/37/28/563823728.db2.gz UXVKZGDQUQHQIW-BBRMVZONSA-N 1 0 387.343 2.868 20 0 GFADRO [NH3+]C1C[C@H]2CCC[C@@H](C1)N2S(=O)(=O)c1cccc(Br)c1F ZINC000366934655 563825182 /nfs/dbraw/zinc/82/51/82/563825182.db2.gz CGMXOMBBQBGGGB-FGWVZKOKSA-N 1 0 377.279 2.621 20 0 GFADRO O=C(NCC[C@H]1CCC[NH2+]1)[C@H](c1ccc(Cl)cc1Cl)N1CCOCC1 ZINC000444269455 563826219 /nfs/dbraw/zinc/82/62/19/563826219.db2.gz PURJJJKRLIOSBU-PBHICJAKSA-N 1 0 386.323 2.625 20 0 GFADRO C[N@H+](C[C@@H]1CCN(S(C)(=O)=O)C1)C1CCN(c2ccc(Cl)cc2)CC1 ZINC000366986219 563826681 /nfs/dbraw/zinc/82/66/81/563826681.db2.gz DOVFRPGOUCSLRF-HNNXBMFYSA-N 1 0 385.961 2.522 20 0 GFADRO C[NH+](C)CCn1nccc1NC(=O)c1cc2c(cccc2Br)[nH]1 ZINC000294161124 563832381 /nfs/dbraw/zinc/83/23/81/563832381.db2.gz RYUHQBIMLZRIPH-UHFFFAOYSA-N 1 0 376.258 2.941 20 0 GFADRO C[N@@H+]1CC[C@@H]2CCN(S(=O)(=O)c3c(Cl)cccc3Br)C[C@@H]21 ZINC000367178480 563834506 /nfs/dbraw/zinc/83/45/06/563834506.db2.gz JHTIYNMKDONBCN-MFKMUULPSA-N 1 0 393.734 2.817 20 0 GFADRO COc1ccc(Cl)cc1N1CC[C@H]([NH2+][C@H]2CCC[C@@H](S(C)(=O)=O)C2)C1 ZINC000294223268 563834765 /nfs/dbraw/zinc/83/47/65/563834765.db2.gz LZGGJNCYROJZSA-HRCADAONSA-N 1 0 386.945 2.873 20 0 GFADRO O=C1[C@H](N2CC[NH+]([C@@H]3CCSC3)CC2)CCN1c1ccc(Cl)c(F)c1 ZINC000367199568 563835516 /nfs/dbraw/zinc/83/55/16/563835516.db2.gz CQFVMCHPCDCUSY-RHSMWYFYSA-N 1 0 383.920 2.708 20 0 GFADRO NS(=O)(=O)CCC[NH2+][C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1 ZINC000444744866 563836298 /nfs/dbraw/zinc/83/62/98/563836298.db2.gz RKKGKFWYYWPCSL-LLVKDONJSA-N 1 0 378.338 2.967 20 0 GFADRO COC(=O)[C@H](c1cccc(Cl)c1Cl)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000444760193 563836614 /nfs/dbraw/zinc/83/66/14/563836614.db2.gz SCVJNIJYHJPWLG-WBMJQRKESA-N 1 0 389.323 2.985 20 0 GFADRO CC(C)(C)c1csc(C2CC[NH+](C[C@H]3CCN(S(C)(=O)=O)C3)CC2)n1 ZINC000367273869 563839337 /nfs/dbraw/zinc/83/93/37/563839337.db2.gz HYFFFPVVMRLCFT-CQSZACIVSA-N 1 0 385.599 2.902 20 0 GFADRO Cc1cc(Br)c(S(=O)(=O)NCCCC[N@@H+](C)C2CC2)s1 ZINC000416505311 563839969 /nfs/dbraw/zinc/83/99/69/563839969.db2.gz CKARAFXYSJVVNQ-UHFFFAOYSA-N 1 0 381.361 2.972 20 0 GFADRO C[C@H](Oc1ccc(Br)cc1)C(=O)Nc1cnc2c(c1)C[NH2+]CC2 ZINC000367376373 563842044 /nfs/dbraw/zinc/84/20/44/563842044.db2.gz CWNPJKSJRFXJHR-NSHDSACASA-N 1 0 376.254 2.896 20 0 GFADRO O=C(NCc1cc2cc(Br)ccc2[nH]1)N1CC[NH+]2CCC1CC2 ZINC000367422617 563844350 /nfs/dbraw/zinc/84/43/50/563844350.db2.gz HJTGQEKSXNCZSY-UHFFFAOYSA-N 1 0 377.286 2.920 20 0 GFADRO C[N@@H+]1CCC[C@H](CCNS(=O)(=O)Cc2ccccc2Br)C1 ZINC000416550149 563847258 /nfs/dbraw/zinc/84/72/58/563847258.db2.gz DOKHNVDRPCUJPU-CYBMUJFWSA-N 1 0 375.332 2.600 20 0 GFADRO COc1cc(C(F)(F)F)cc(S(=O)(=O)NCC[C@H]2CCC[N@H+](C)C2)c1 ZINC000416561074 563848301 /nfs/dbraw/zinc/84/83/01/563848301.db2.gz TZDYNUNAOMKZQS-GFCCVEGCSA-N 1 0 380.432 2.724 20 0 GFADRO CCOc1cc(CN2CCOC[C@@H](O)C2)cc(Br)c1OC(F)F ZINC000294660216 563849804 /nfs/dbraw/zinc/84/98/04/563849804.db2.gz ACOKHQOLFYLTOP-NSHDSACASA-N 1 0 396.228 2.642 20 0 GFADRO CCc1ccc([C@@H](CNC(=O)c2c(Br)cnn2C)[NH+](C)C)cc1 ZINC000294649258 563850172 /nfs/dbraw/zinc/85/01/72/563850172.db2.gz BVFABEUCAJBAOM-OAHLLOKOSA-N 1 0 379.302 2.778 20 0 GFADRO Cc1cc(Br)ccc1C(=O)N1CCC([NH2+][C@H]2CC[C@@H](O)C2)CC1 ZINC000367696599 563852377 /nfs/dbraw/zinc/85/23/77/563852377.db2.gz ICIWYRDNVYKGLV-JKSUJKDBSA-N 1 0 381.314 2.865 20 0 GFADRO CS[C@H]1CN(S(=O)(=O)c2ccc(OC(C)C)cc2)C[C@H]1[NH+]1CCCC1 ZINC000445749481 563853796 /nfs/dbraw/zinc/85/37/96/563853796.db2.gz HUUNOMWXQJEMIC-MSOLQXFVSA-N 1 0 384.567 2.674 20 0 GFADRO CC(C)[C@@H](CC(F)(F)F)[NH2+]CC(=O)N1CCN(Cc2ccsc2)CC1 ZINC000445888385 563855346 /nfs/dbraw/zinc/85/53/46/563855346.db2.gz UTTRVHZWQZEQFZ-OAHLLOKOSA-N 1 0 377.476 2.959 20 0 GFADRO C[C@@H]1c2cc(Cl)cc(Cl)c2CCN1C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000445899298 563855422 /nfs/dbraw/zinc/85/54/22/563855422.db2.gz VCDBJOJOLYSALN-TZMCWYRMSA-N 1 0 385.339 2.868 20 0 GFADRO CC(C)CN(CC[NH+](C)C)C(=O)[C@H]1CC(=O)Nc2ccc(Br)cc21 ZINC000446076960 563858210 /nfs/dbraw/zinc/85/82/10/563858210.db2.gz CRVHZWVGAOJIQH-HNNXBMFYSA-N 1 0 396.329 2.921 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)C(=O)NCC1([NH+](C)C)CCC1 ZINC000446186523 563860117 /nfs/dbraw/zinc/86/01/17/563860117.db2.gz JEZZVIJDHVLOAF-UHFFFAOYSA-N 1 0 382.302 2.551 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)N1C[C@@H](C)[N@@H+](CCO)C[C@H]1C ZINC000416760076 563861418 /nfs/dbraw/zinc/86/14/18/563861418.db2.gz IGVKSDXZUGZDJR-ZIAGYGMSSA-N 1 0 384.318 2.985 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2Cc1nc2ccccn2c1Br ZINC000368026015 563862110 /nfs/dbraw/zinc/86/21/10/563862110.db2.gz ZKGAQXCFYOHNED-VNQPRFMTSA-N 1 0 393.329 2.780 20 0 GFADRO C[C@H](NC(=O)N1CC[C@H](N2CC[NH2+]CC2)C1)c1cc(F)c(Cl)cc1Cl ZINC000416852946 563862579 /nfs/dbraw/zinc/86/25/79/563862579.db2.gz STUWLMFOIAMFFY-RYUDHWBXSA-N 1 0 389.302 2.883 20 0 GFADRO C[C@@H](CNC(=O)Nc1c(F)cc(I)cc1F)[NH+](C)C ZINC000417292788 563877505 /nfs/dbraw/zinc/87/75/05/563877505.db2.gz YDVUTEYANSHQNO-ZETCQYMHSA-N 1 0 383.180 2.641 20 0 GFADRO Cc1cc(C)c(NC(=O)N2C[C@@H](C)[N@@H+](CCO)C[C@H]2C)cc1Br ZINC000417015306 563865904 /nfs/dbraw/zinc/86/59/04/563865904.db2.gz BKFBVERHNLXAIQ-ZIAGYGMSSA-N 1 0 384.318 2.985 20 0 GFADRO CO[C@H]1CCN(C(=O)NCC(C)(C)c2ccc(Br)cc2)[C@@H](C[NH3+])C1 ZINC000417113262 563868009 /nfs/dbraw/zinc/86/80/09/563868009.db2.gz FPRFYCJTEHRAJB-CVEARBPZSA-N 1 0 398.345 2.874 20 0 GFADRO Cc1cc(C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)nn1-c1ccc(Br)cc1 ZINC000368310745 563868349 /nfs/dbraw/zinc/86/83/49/563868349.db2.gz RTHNVSDIBQFUAA-RCBQFDQVSA-N 1 0 389.297 2.753 20 0 GFADRO COC[C@@H]([NH2+]Cc1cc(Br)c2c(c1)OCCO2)C1CCOCC1 ZINC000446835030 563869244 /nfs/dbraw/zinc/86/92/44/563869244.db2.gz JINBRLOMKQNEEM-OAHLLOKOSA-N 1 0 386.286 2.752 20 0 GFADRO Cc1c(Br)scc1C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000368431888 563870348 /nfs/dbraw/zinc/87/03/48/563870348.db2.gz CELJHBNSOWETQX-GFCCVEGCSA-N 1 0 386.359 2.717 20 0 GFADRO CC(C)(O)C[N@@H+]1CCCN(C(=O)c2cc3cc(Br)ccc3[nH]2)CC1 ZINC000368418377 563870557 /nfs/dbraw/zinc/87/05/57/563870557.db2.gz DYAFARDAOUJTJZ-UHFFFAOYSA-N 1 0 394.313 2.849 20 0 GFADRO Cc1cc(Br)cn2c(C[NH2+][C@@H]3CCC(=O)N[C@@H]3C3CC3)cnc12 ZINC000368500837 563872110 /nfs/dbraw/zinc/87/21/10/563872110.db2.gz YPHAMYDBBDTWFN-GDBMZVCRSA-N 1 0 377.286 2.552 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)NCCOc3cccc(Br)c3)C[C@@H]21 ZINC000417204676 563873253 /nfs/dbraw/zinc/87/32/53/563873253.db2.gz GALPDRXCBSVYTH-UHOFOFEASA-N 1 0 382.302 2.597 20 0 GFADRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1cc(Br)cnc1N(C)C ZINC000368546071 563873475 /nfs/dbraw/zinc/87/34/75/563873475.db2.gz PTHNQFWJFRBMMQ-JSGCOSHPSA-N 1 0 381.318 2.609 20 0 GFADRO C[C@@H]1C[C@H]([NH2+]Cc2ccc(S(C)(=O)=O)c(C(F)(F)F)c2)CN1C1CC1 ZINC000447058064 563873654 /nfs/dbraw/zinc/87/36/54/563873654.db2.gz GDVOYSSWYHMMID-YPMHNXCESA-N 1 0 376.444 2.824 20 0 GFADRO C[C@H]([NH3+])C1CCN(C(=O)NCCC(=O)Nc2ccc(Br)cc2)CC1 ZINC000417213577 563873802 /nfs/dbraw/zinc/87/38/02/563873802.db2.gz HYZLTMYVJXWPBH-LBPRGKRZSA-N 1 0 397.317 2.547 20 0 GFADRO O=C(CCNC(=O)NCCC[C@@H]1CCC[NH2+]1)Nc1ccc(Br)cc1 ZINC000417214024 563873806 /nfs/dbraw/zinc/87/38/06/563873806.db2.gz IOUDWBMCQIOPMD-AWEZNQCLSA-N 1 0 397.317 2.609 20 0 GFADRO C[C@H](CCn1cccn1)[NH2+][C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000447096993 563874715 /nfs/dbraw/zinc/87/47/15/563874715.db2.gz DIPOREDKRWDQMN-CZUORRHYSA-N 1 0 377.286 2.819 20 0 GFADRO CC1(NC(=O)NC[C@@H]2CCN(c3cccc(Br)c3)C2)CC[NH2+]CC1 ZINC000417265148 563875932 /nfs/dbraw/zinc/87/59/32/563875932.db2.gz ULUZHTXMXANEFL-AWEZNQCLSA-N 1 0 395.345 2.717 20 0 GFADRO O=C(NCc1ccc(Br)cc1Cl)N[C@@H]1C[NH2+]CCC1(F)F ZINC000417340468 563878101 /nfs/dbraw/zinc/87/81/01/563878101.db2.gz MKMOILUWORTJIQ-LLVKDONJSA-N 1 0 382.636 2.899 20 0 GFADRO CO[C@@H]1CCN(C(=O)NCCCOc2ccc(Cl)cc2Cl)[C@H](C[NH3+])C1 ZINC000417334860 563878143 /nfs/dbraw/zinc/87/81/43/563878143.db2.gz RVQQLVYKKBRMJA-UONOGXRCSA-N 1 0 390.311 2.910 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000417364596 563878678 /nfs/dbraw/zinc/87/86/78/563878678.db2.gz HQHOMFCJSKDFLE-GXTWGEPZSA-N 1 0 397.317 2.526 20 0 GFADRO CO[C@@H]1CCN(C(=O)NCc2c(C)cc(Br)cc2C)[C@@H](C[NH3+])C1 ZINC000417354845 563878789 /nfs/dbraw/zinc/87/87/89/563878789.db2.gz CUNVGSQANRWCDJ-HUUCEWRRSA-N 1 0 384.318 2.714 20 0 GFADRO C[C@H]1C[C@@H](NC(=O)NCc2cc(Br)ccc2OC(F)F)CC[NH2+]1 ZINC000417405092 563879260 /nfs/dbraw/zinc/87/92/60/563879260.db2.gz ICHCGALPYJZVNM-CABZTGNLSA-N 1 0 392.244 2.990 20 0 GFADRO COC[C@H](C)OC[C@H](O)C[N@@H+]1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000447309805 563879392 /nfs/dbraw/zinc/87/93/92/563879392.db2.gz RHRJMMLLEHGANG-GUTXKFCHSA-N 1 0 378.296 2.859 20 0 GFADRO [NH3+]CCCCNC(=O)NCC1(c2ccc(Br)cc2)CCOCC1 ZINC000417431939 563880232 /nfs/dbraw/zinc/88/02/32/563880232.db2.gz SGQBGAFRRMYPNY-UHFFFAOYSA-N 1 0 384.318 2.535 20 0 GFADRO O=C(NCC1(c2ccc(Br)cc2)CCOCC1)N[C@H]1CCC[NH2+]C1 ZINC000417433032 563880278 /nfs/dbraw/zinc/88/02/78/563880278.db2.gz UTUDFGNAMFBYGY-INIZCTEOSA-N 1 0 396.329 2.549 20 0 GFADRO C[NH2+]C[C@@H]1CCCN(C(=O)N[C@@H]2CCN(c3ccc(Br)cc3)C2)C1 ZINC000417475482 563880406 /nfs/dbraw/zinc/88/04/06/563880406.db2.gz BGSIAMGKBKNZFL-GOEBONIOSA-N 1 0 395.345 2.669 20 0 GFADRO COc1cc(Br)c(CNC(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)cc1OC ZINC000417446838 563880548 /nfs/dbraw/zinc/88/05/48/563880548.db2.gz NJJFXXQKGJEFSH-OLZOCXBDSA-N 1 0 398.301 2.502 20 0 GFADRO COc1cc(Br)c(CNC(=O)NCCC2=CC[NH2+]CC2)cc1OC ZINC000417444929 563880807 /nfs/dbraw/zinc/88/08/07/563880807.db2.gz FBTBJHPBALSSJJ-UHFFFAOYSA-N 1 0 398.301 2.575 20 0 GFADRO [NH3+]CC[C@@H]1CCCN(C(=O)N[C@H]2CCN(c3ccc(Br)cc3)C2)C1 ZINC000417485672 563880931 /nfs/dbraw/zinc/88/09/31/563880931.db2.gz WYANWTXPOJIYMA-HOCLYGCPSA-N 1 0 395.345 2.798 20 0 GFADRO CC1(C)CCC[N@H+](CCNC(=O)C(=O)Nc2ccccc2Br)C1 ZINC000447424352 563881648 /nfs/dbraw/zinc/88/16/48/563881648.db2.gz VXASSKMHLJIERZ-UHFFFAOYSA-N 1 0 382.302 2.626 20 0 GFADRO CC1(O)C[C@H]2CC[C@@H](C1)[N@H+]2[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000368907440 563881848 /nfs/dbraw/zinc/88/18/48/563881848.db2.gz SWJJFZSFYHKTRY-MNTYIPCHSA-N 1 0 379.298 2.932 20 0 GFADRO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NCc1ccc(S(C)(=O)=O)c(C(F)(F)F)c1 ZINC000447556121 563882921 /nfs/dbraw/zinc/88/29/21/563882921.db2.gz FBSXEROLLYAINV-JMSVASOKSA-N 1 0 378.460 2.927 20 0 GFADRO CCOC1CC(O)(C[NH2+][C@H](C)c2ccccc2I)C1 ZINC000447554848 563883022 /nfs/dbraw/zinc/88/30/22/563883022.db2.gz ZQOUADWTDRVMRD-XIKARTHZSA-N 1 0 375.250 2.872 20 0 GFADRO CCn1cncc1C[N@@H+]1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000417721691 563887541 /nfs/dbraw/zinc/88/75/41/563887541.db2.gz FWIGTFUAIPANNM-CYBMUJFWSA-N 1 0 392.301 2.911 20 0 GFADRO C[C@H](CNC(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2)Oc1ccc(Br)cc1 ZINC000417772644 563888662 /nfs/dbraw/zinc/88/86/62/563888662.db2.gz ICFNUJGCBWDPGV-YUELXQCFSA-N 1 0 382.302 2.752 20 0 GFADRO CCCN(C(=O)NC[C@H](C)Oc1ccc(Br)cc1)[C@H]1CC[NH2+]C1 ZINC000417775145 563889297 /nfs/dbraw/zinc/88/92/97/563889297.db2.gz MLXCNLONJXANHM-ZFWWWQNUSA-N 1 0 384.318 3.000 20 0 GFADRO C[C@@H]([NH3+])C1CCN(C(=O)NC[C@H](C)Oc2cccc(Br)c2)CC1 ZINC000417803042 563889714 /nfs/dbraw/zinc/88/97/14/563889714.db2.gz XWHRDAMYBXHVKK-QWHCGFSZSA-N 1 0 384.318 2.985 20 0 GFADRO C[C@H](CNC(=O)N1CCC[C@@H](CC[NH3+])C1)Oc1cccc(Br)c1 ZINC000417803022 563890003 /nfs/dbraw/zinc/89/00/03/563890003.db2.gz XTGXAPFDJUMSQL-KGLIPLIRSA-N 1 0 384.318 2.987 20 0 GFADRO C[C@H]([NH3+])CCNC(=O)N[C@@H](C)c1nc(-c2ccc(Br)cc2)no1 ZINC000417877758 563890305 /nfs/dbraw/zinc/89/03/05/563890305.db2.gz ACMAKDQZJFKATF-UWVGGRQHSA-N 1 0 382.262 2.597 20 0 GFADRO C[C@@H](CNC(=O)NCC1(C)CC[NH2+]CC1)Oc1ccccc1Br ZINC000417830043 563890576 /nfs/dbraw/zinc/89/05/76/563890576.db2.gz RKEWMZRVZOTMJY-ZDUSSCGKSA-N 1 0 384.318 2.905 20 0 GFADRO Cc1nn(C)c(C[NH2+]CC2(CN3CCOCC3)CCCCC2)c1Br ZINC000447922287 563890762 /nfs/dbraw/zinc/89/07/62/563890762.db2.gz AFWXFQNSURGXAA-UHFFFAOYSA-N 1 0 399.377 2.863 20 0 GFADRO C[C@H](NC(=O)[C@H](C)[NH2+][C@H](CO)[C@H]1CCCO1)c1ccc(Cl)cc1Cl ZINC000447917432 563890796 /nfs/dbraw/zinc/89/07/96/563890796.db2.gz XUNBMFQTJAKNGW-DPDCMNJDSA-N 1 0 375.296 2.689 20 0 GFADRO C[C@H](C(=O)Nc1cccc(Cl)c1Cl)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000369270521 563891196 /nfs/dbraw/zinc/89/11/96/563891196.db2.gz MBIVVWZXHHDFSX-KCXAZCMYSA-N 1 0 386.323 2.851 20 0 GFADRO CC(C)[N@H+](C)CCNC(=O)NCc1nc(-c2cccc(Br)c2)no1 ZINC000448008571 563892943 /nfs/dbraw/zinc/89/29/43/563892943.db2.gz GXQKQOKGYGZTRW-UHFFFAOYSA-N 1 0 396.289 2.639 20 0 GFADRO CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000417973734 563893132 /nfs/dbraw/zinc/89/31/32/563893132.db2.gz CIUSEVXDMNABSY-XEZPLFJOSA-N 1 0 384.318 2.824 20 0 GFADRO OCC[C@@H]([NH2+]Cc1ccc(F)cc1I)C1CCOCC1 ZINC000417980263 563893501 /nfs/dbraw/zinc/89/35/01/563893501.db2.gz AZUIPPWWOUCJCM-OAHLLOKOSA-N 1 0 393.240 2.698 20 0 GFADRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NCCc1c[nH]c2ccc(Br)cc12 ZINC000417994604 563894387 /nfs/dbraw/zinc/89/43/87/563894387.db2.gz CMFCWDKLHCTLLF-IAQYHMDHSA-N 1 0 379.302 2.770 20 0 GFADRO Cc1nn(C)c(CN2CC[NH+](CCc3ccccc3)CC2)c1Br ZINC000448212467 563895141 /nfs/dbraw/zinc/89/51/41/563895141.db2.gz KWDMWNMMQQHDNI-UHFFFAOYSA-N 1 0 377.330 2.851 20 0 GFADRO C[C@@H]1[NH2+]CCN(C(=O)NCCc2c[nH]c3ccc(Br)cc23)[C@H]1C ZINC000418006100 563895151 /nfs/dbraw/zinc/89/51/51/563895151.db2.gz PTFPJOCNERDXHM-RYUDHWBXSA-N 1 0 379.302 2.865 20 0 GFADRO Cc1cc(Br)cn2cc(CNC(=O)N[C@H]3CCCC[C@@H]3C[NH3+])nc12 ZINC000418021982 563895536 /nfs/dbraw/zinc/89/55/36/563895536.db2.gz QKHPPLPNMPFHFS-DOMZBBRYSA-N 1 0 394.317 2.722 20 0 GFADRO C[NH2+]CCN(C)C(=O)NCCOc1c(Cl)cc(Br)cc1Cl ZINC000418013900 563895671 /nfs/dbraw/zinc/89/56/71/563895671.db2.gz XJOXQSFYNKQLKP-UHFFFAOYSA-N 1 0 399.116 2.996 20 0 GFADRO Cc1cc(Br)cn2cc(CNC(=O)N[C@@H](C[NH3+])CC(C)C)nc12 ZINC000418020665 563895699 /nfs/dbraw/zinc/89/56/99/563895699.db2.gz NPDQFMJMAFOCIB-CYBMUJFWSA-N 1 0 382.306 2.578 20 0 GFADRO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)Nc1ccc(Br)cc1 ZINC000448317546 563896037 /nfs/dbraw/zinc/89/60/37/563896037.db2.gz JDCKGNVIPMJCOB-CQSZACIVSA-N 1 0 382.302 2.624 20 0 GFADRO CCCOC[C@@H](Cc1cccc(Br)c1)NC(=O)N1CCC([NH3+])CC1 ZINC000418031901 563896265 /nfs/dbraw/zinc/89/62/65/563896265.db2.gz OZPYWFDAFRHAHS-QGZVFWFLSA-N 1 0 398.345 2.920 20 0 GFADRO CC(C)(C)[C@@H](O)C[C@H](CO)[NH2+]Cc1ccc(F)cc1I ZINC000418040327 563896534 /nfs/dbraw/zinc/89/65/34/563896534.db2.gz IUQBEOVWDBMJRI-OCCSQVGLSA-N 1 0 395.256 2.678 20 0 GFADRO [NH3+]C[C@@H]1CC[C@H](NC(=O)N[C@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)C1 ZINC000418054700 563896760 /nfs/dbraw/zinc/89/67/60/563896760.db2.gz AAVYQHIFFVBUQV-OSMZGAPFSA-N 1 0 385.295 2.525 20 0 GFADRO [NH3+]C1(CNC(=O)N[C@@H]2CCCN(c3ccc(Cl)cc3Cl)C2=O)CCC1 ZINC000418079592 563897699 /nfs/dbraw/zinc/89/76/99/563897699.db2.gz LEMYYGMVZILJAE-CYBMUJFWSA-N 1 0 385.295 2.669 20 0 GFADRO CN(CC(C)(C)C[NH3+])C(=O)N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000418079934 563897852 /nfs/dbraw/zinc/89/78/52/563897852.db2.gz LRKJJMSJIDWETG-ZDUSSCGKSA-N 1 0 387.311 2.725 20 0 GFADRO O=C(NCCC[NH+]1CCCC1)c1ccc(I)cc1F ZINC000448599216 563898831 /nfs/dbraw/zinc/89/88/31/563898831.db2.gz YNBKNSALPASEBK-UHFFFAOYSA-N 1 0 376.213 2.646 20 0 GFADRO CCCN(C(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1)[C@@H]1CC[NH2+]C1 ZINC000418098677 563898948 /nfs/dbraw/zinc/89/89/48/563898948.db2.gz MHKVHCKWCNYCRB-NVXWUHKLSA-N 1 0 395.345 2.811 20 0 GFADRO CC(C)(CC[NH2+]Cc1ccc(F)cc1I)S(C)(=O)=O ZINC000418101972 563898951 /nfs/dbraw/zinc/89/89/51/563898951.db2.gz QROCLUJEADFPSM-UHFFFAOYSA-N 1 0 399.269 2.733 20 0 GFADRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc(I)cc1F ZINC000448707118 563900273 /nfs/dbraw/zinc/90/02/73/563900273.db2.gz CCGCWJCYUBYLFK-KBPBESRZSA-N 1 0 388.224 2.787 20 0 GFADRO C[C@H](CCC[NH3+])NC(=O)NCc1ccc(I)c(Cl)c1 ZINC000418169804 563900392 /nfs/dbraw/zinc/90/03/92/563900392.db2.gz YIYKRTJWAGPQFF-SECBINFHSA-N 1 0 395.672 2.871 20 0 GFADRO C[C@H](NC(=O)NCc1cc(F)c(F)cc1Br)[C@H]1CCC[NH2+]C1 ZINC000418184679 563900806 /nfs/dbraw/zinc/90/08/06/563900806.db2.gz REYWODHFMLZRAT-UWVGGRQHSA-N 1 0 376.245 2.915 20 0 GFADRO C[C@@H](NC(=O)NCc1cc(F)c(F)cc1Br)[C@@H]1CCC[NH2+]C1 ZINC000418184677 563900841 /nfs/dbraw/zinc/90/08/41/563900841.db2.gz REYWODHFMLZRAT-NXEZZACHSA-N 1 0 376.245 2.915 20 0 GFADRO C[NH+](C)CCn1ccc(NC(=O)c2cc(Cl)c(F)cc2Br)n1 ZINC000448830275 563901650 /nfs/dbraw/zinc/90/16/50/563901650.db2.gz HALVLZQXQUCCHI-UHFFFAOYSA-N 1 0 389.656 3.252 20 0 GFADRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)c2c(Cl)cc(Cl)cc2Cl)C1 ZINC000448870407 563902397 /nfs/dbraw/zinc/90/23/97/563902397.db2.gz CZKFPNWTSOTUDN-SNVBAGLBSA-N 1 0 392.714 2.964 20 0 GFADRO COCCC[NH+]1CCC(NC(=O)Cc2cc(Br)ccc2C)CC1 ZINC000448879089 563902697 /nfs/dbraw/zinc/90/26/97/563902697.db2.gz XJYHMEBNQITHLY-UHFFFAOYSA-N 1 0 383.330 2.917 20 0 GFADRO COCCN(CC[NH+](C)C)C(=O)c1cc2c(ccc(F)c2Br)[nH]1 ZINC000448908338 563902899 /nfs/dbraw/zinc/90/28/99/563902899.db2.gz GDAJBQBAPRSKRM-UHFFFAOYSA-N 1 0 386.265 2.720 20 0 GFADRO O=C(c1ccccc1-n1cc(Br)cn1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000448923889 563903469 /nfs/dbraw/zinc/90/34/69/563903469.db2.gz XBHBIHATRPANRG-CQSZACIVSA-N 1 0 375.270 2.555 20 0 GFADRO CC[NH+](CC)C[C@H](C)NC(=O)c1ccc(I)cc1F ZINC000448976657 563904367 /nfs/dbraw/zinc/90/43/67/563904367.db2.gz OFOIZDDAPFTERN-JTQLQIEISA-N 1 0 378.229 2.890 20 0 GFADRO CCN1CC[NH+](CCCCNC(=O)Cc2ccc(C)cc2Br)CC1 ZINC000448976961 563904518 /nfs/dbraw/zinc/90/45/18/563904518.db2.gz WMOZTIZFZZGNPJ-UHFFFAOYSA-N 1 0 396.373 2.834 20 0 GFADRO CC[N@@H+](Cc1cc(Br)ccc1O[C@H](C)C(=O)NC)C[C@@H]1CCCO1 ZINC000449017453 563905202 /nfs/dbraw/zinc/90/52/02/563905202.db2.gz HJMCIQWQGCEFGK-CJNGLKHVSA-N 1 0 399.329 2.963 20 0 GFADRO CCN(CCC[NH2+]Cc1cnc(-c2c(F)cccc2F)s1)S(C)(=O)=O ZINC000449084963 563906410 /nfs/dbraw/zinc/90/64/10/563906410.db2.gz JWSSPWMISZRTTC-UHFFFAOYSA-N 1 0 389.493 2.850 20 0 GFADRO CCn1nnc(C)c1C[NH2+]C[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000449094747 563906483 /nfs/dbraw/zinc/90/64/83/563906483.db2.gz TXVZYHLJTXSKSE-AWEZNQCLSA-N 1 0 378.318 2.985 20 0 GFADRO O=C1[C@@H]([NH2+][C@H]2CCc3c2ccc(F)c3Br)CCN1C1CCOCC1 ZINC000449176989 563907944 /nfs/dbraw/zinc/90/79/44/563907944.db2.gz OBHRPJFHFORPIZ-HOTGVXAUSA-N 1 0 397.288 2.945 20 0 GFADRO C[NH+]1CCN(c2ccc(NC(=O)c3ccsc3Br)cn2)CC1 ZINC000449210313 563908146 /nfs/dbraw/zinc/90/81/46/563908146.db2.gz RXQFHMJDYQASSU-UHFFFAOYSA-N 1 0 381.299 2.910 20 0 GFADRO CCn1cc([C@@H]2NC(=O)CC[C@H]2[NH2+]Cc2cc(F)cc(Br)c2)cn1 ZINC000449265662 564177968 /nfs/dbraw/zinc/17/79/68/564177968.db2.gz SKKYWCJFMPADEB-WBVHZDCISA-N 1 0 395.276 2.914 20 0 GFADRO O=C(C1CC[NH+]([C@H]2CCSC2)CC1)N1CCC[C@@H](OCC(F)(F)F)C1 ZINC000563225165 564180293 /nfs/dbraw/zinc/18/02/93/564180293.db2.gz ZNDFKFNOURBJKS-LSDHHAIUSA-N 1 0 380.476 2.774 20 0 GFADRO CO[C@]1(C)CCC[N@H+](CC(=O)N(C)CCOc2ccc(Br)cc2)C1 ZINC000470923396 564181142 /nfs/dbraw/zinc/18/11/42/564181142.db2.gz KXBCQIIRCSNINE-GOSISDBHSA-N 1 0 399.329 2.787 20 0 GFADRO CC[N@@H+](Cc1cc(Br)ccc1O[C@@H](C)C(=O)NC)C[C@@H](C)OC ZINC000449336934 564181815 /nfs/dbraw/zinc/18/18/15/564181815.db2.gz PSRSAOULVWBOSQ-OLZOCXBDSA-N 1 0 387.318 2.819 20 0 GFADRO C[C@@H]1C[C@@H]([NH2+]CCn2cc(Br)ccc2=O)CN1Cc1ccccc1 ZINC000449373728 564182207 /nfs/dbraw/zinc/18/22/07/564182207.db2.gz CLJPFQOSSZSWIA-CRAIPNDOSA-N 1 0 390.325 2.863 20 0 GFADRO OCCC[N@@H+]1CCC[C@H]1CNCc1nc(-c2cccc(Br)c2)c[nH]1 ZINC000449387714 564183305 /nfs/dbraw/zinc/18/33/05/564183305.db2.gz MWODYGFKRRNTCT-INIZCTEOSA-N 1 0 393.329 2.776 20 0 GFADRO C[C@@H]([NH2+]Cc1cc(=O)n2cc(Cl)ccc2n1)c1ccc([S@@](C)=O)cc1 ZINC000538268802 564186289 /nfs/dbraw/zinc/18/62/89/564186289.db2.gz NRLPZSXVLMIYTM-XELLLNAOSA-N 1 0 375.881 2.936 20 0 GFADRO [NH3+]CC12CCC(CC1)CN2C(=O)c1cc(=O)c2cc(Br)ccc2[nH]1 ZINC000563335927 564186702 /nfs/dbraw/zinc/18/67/02/564186702.db2.gz DIWWGXQNMFZDDE-UHFFFAOYSA-N 1 0 390.281 2.634 20 0 GFADRO COc1ccc(Br)c(CC(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)c1 ZINC000505633654 564186723 /nfs/dbraw/zinc/18/67/23/564186723.db2.gz LJTNMCHSULIXRI-GOSISDBHSA-N 1 0 381.314 2.945 20 0 GFADRO CO[C@H]1COCC[C@H]1C[NH2+]Cc1nc(-c2cccc(Br)c2)c[nH]1 ZINC000449455855 564186944 /nfs/dbraw/zinc/18/69/44/564186944.db2.gz LXXBVZFOZMRNJZ-BBRMVZONSA-N 1 0 380.286 2.980 20 0 GFADRO COC(=O)c1occc1C[NH2+]CCCNC(=O)c1cccc(Br)c1 ZINC000538396510 564189821 /nfs/dbraw/zinc/18/98/21/564189821.db2.gz YJPNSNKPXXRDFH-UHFFFAOYSA-N 1 0 395.253 2.738 20 0 GFADRO C[C@@H]1CN(Cc2ccc(OC(F)F)c(Br)c2)C[C@H](C)[N@H+]1CCO ZINC000449537261 564190010 /nfs/dbraw/zinc/19/00/10/564190010.db2.gz RAQJORMVPSYCFE-TXEJJXNPSA-N 1 0 393.272 2.937 20 0 GFADRO COCC[C@H](Cc1cccc(Br)c1)C(=O)N1C[C@@H](C)[NH2+]C[C@H]1C ZINC000505838263 564191656 /nfs/dbraw/zinc/19/16/56/564191656.db2.gz HRQIIXJCOGBHKG-IIAWOOMASA-N 1 0 383.330 2.853 20 0 GFADRO C[C@]1(CNC(=O)Nc2nnc(SCc3ccccc3)s2)CCC[NH2+]C1 ZINC000563436719 564191799 /nfs/dbraw/zinc/19/17/99/564191799.db2.gz LTENZCYYCQCIGS-KRWDZBQOSA-N 1 0 377.539 3.342 20 0 GFADRO COCCOc1ccc(Br)cc1NC(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000563474562 564192244 /nfs/dbraw/zinc/19/22/44/564192244.db2.gz RBMYFEJAUYSGHK-STQMWFEESA-N 1 0 398.301 2.548 20 0 GFADRO CN(C(=O)Nc1cc(Br)cnc1OCC(F)(F)F)[C@@H]1CC[NH2+]C1 ZINC000563462142 564192737 /nfs/dbraw/zinc/19/27/37/564192737.db2.gz PERIYTCRJINPRX-SECBINFHSA-N 1 0 397.195 2.611 20 0 GFADRO COc1c(Cl)cc(NC(=O)C(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)cc1Cl ZINC000563496511 564193583 /nfs/dbraw/zinc/19/35/83/564193583.db2.gz SICULTWZDVTOMG-KRWDZBQOSA-N 1 0 386.279 2.543 20 0 GFADRO CN(C)S(=O)(=O)c1ccc(C[NH+]2CCC(n3cc(Cl)cn3)CC2)cc1 ZINC000506012196 564194461 /nfs/dbraw/zinc/19/44/61/564194461.db2.gz HXZLVBCWLWJANV-UHFFFAOYSA-N 1 0 382.917 2.624 20 0 GFADRO Cc1[nH]c(=O)c(Br)cc1C(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C ZINC000506040294 564195139 /nfs/dbraw/zinc/19/51/39/564195139.db2.gz LWKWUHYLOFPAQT-CQSZACIVSA-N 1 0 392.297 2.761 20 0 GFADRO CO[C@@](C)(C[NH2+]C[C@H](O)COc1cc(F)cc(Br)c1)C1CC1 ZINC000563530852 564195444 /nfs/dbraw/zinc/19/54/44/564195444.db2.gz OYJOBBQHVIYFER-HOCLYGCPSA-N 1 0 376.266 2.733 20 0 GFADRO OCC[N@H+](Cc1cccc(I)c1)C1CCSCC1 ZINC000449682388 564195992 /nfs/dbraw/zinc/19/59/92/564195992.db2.gz GRDSQJSIDHAEDL-UHFFFAOYSA-N 1 0 377.291 2.981 20 0 GFADRO COc1ccc(Br)cc1C(=O)CCC(=O)N[C@H]1CC[NH2+]CC1(C)C ZINC000449693393 564196732 /nfs/dbraw/zinc/19/67/32/564196732.db2.gz DCVUSKSRKPOVLD-INIZCTEOSA-N 1 0 397.313 2.925 20 0 GFADRO C[C@H](CN1CC[NH+]([C@H]2CCNC(=O)CC2)CC1)c1cccc(Br)c1 ZINC000449704664 564197920 /nfs/dbraw/zinc/19/79/20/564197920.db2.gz WGGTUSSDOCXMAQ-CRAIPNDOSA-N 1 0 394.357 2.839 20 0 GFADRO C[C@@H](c1ccc(Br)cc1)N1CC[NH+]([C@@H]2CCNC(=O)CC2)CC1 ZINC000449703273 564198036 /nfs/dbraw/zinc/19/80/36/564198036.db2.gz UDOYTZHPXHLGGG-YOEHRIQHSA-N 1 0 380.330 2.796 20 0 GFADRO C[C@@H](CNC(=O)N(C1CC1)[C@H]1CC[NH2+]C1)Oc1ccc(Br)cc1 ZINC000563581578 564198026 /nfs/dbraw/zinc/19/80/26/564198026.db2.gz QWZRMMLXGKMMPE-WFASDCNBSA-N 1 0 382.302 2.752 20 0 GFADRO O=C(NC[C@H]1C[NH2+]CCCO1)N1CCC[C@@H]1c1cccc(Br)c1 ZINC000563609807 564199290 /nfs/dbraw/zinc/19/92/90/564199290.db2.gz SGGBHTCJPHATAS-HZPDHXFCSA-N 1 0 382.302 2.674 20 0 GFADRO COCC[C@@H](Cc1cccc(Br)c1)C(=O)N[C@@H]1CC[NH2+]C1(C)C ZINC000449755116 564200694 /nfs/dbraw/zinc/20/06/94/564200694.db2.gz SGGDXCVKDKYHIO-GOEBONIOSA-N 1 0 383.330 2.901 20 0 GFADRO O=C(CNC(=O)Cc1cccc(Cl)c1Cl)NCC[NH+]1CCCCCC1 ZINC000563736582 564205081 /nfs/dbraw/zinc/20/50/81/564205081.db2.gz BNWNORIHBVHNFN-UHFFFAOYSA-N 1 0 386.323 2.644 20 0 GFADRO CCOC[C@@H](O)C[N@@H+]1CCC[C@@H]1c1ccccc1I ZINC000506598016 564205661 /nfs/dbraw/zinc/20/56/61/564205661.db2.gz XEPYVTQJALXFBB-SWLSCSKDSA-N 1 0 375.250 2.826 20 0 GFADRO Cn1ncc(Br)c1C(=O)Nc1cccc(OCCC[NH+](C)C)c1 ZINC000449864101 564206865 /nfs/dbraw/zinc/20/68/65/564206865.db2.gz LTCOEYSRFRLURX-UHFFFAOYSA-N 1 0 381.274 2.765 20 0 GFADRO C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+]C1CCC(C(N)=O)CC1 ZINC000539084984 564208850 /nfs/dbraw/zinc/20/88/50/564208850.db2.gz ZEGBCXIIZDMEGK-DCBWTQNWSA-N 1 0 382.302 2.800 20 0 GFADRO CC(C)[NH2+]CCCNC(=O)C(=O)N(Cc1ccc(Cl)c(Cl)c1)C1CC1 ZINC000563946617 564213494 /nfs/dbraw/zinc/21/34/94/564213494.db2.gz GEDFIFVLLYGYMH-UHFFFAOYSA-N 1 0 386.323 2.989 20 0 GFADRO Cc1cc(Br)cc2c1CN(C[C@H](O)C[NH+]1C[C@H](C)O[C@@H](C)C1)CC2 ZINC000539327626 564216872 /nfs/dbraw/zinc/21/68/72/564216872.db2.gz AWLDXRPBVDYDRU-MPGHIAIKSA-N 1 0 397.357 2.586 20 0 GFADRO C[C@@H](NC(=O)N1CC[N@@H+](C2CCC2)C[C@@H](C)C1)c1ncc(Br)cn1 ZINC000564053585 564217534 /nfs/dbraw/zinc/21/75/34/564217534.db2.gz FOPQFPAGLOMKNR-CHWSQXEVSA-N 1 0 396.333 2.816 20 0 GFADRO CC(C)(C[NH2+][C@@H]1CCCOc2ccc(I)cc21)C(N)=O ZINC000539370075 564217811 /nfs/dbraw/zinc/21/78/11/564217811.db2.gz CWNQKAANNDIVKM-GFCCVEGCSA-N 1 0 388.249 2.606 20 0 GFADRO C[C@H](CNC(=O)Nc1ccncc1Br)[N@H+](C)Cc1ccccc1 ZINC000507162659 564219822 /nfs/dbraw/zinc/21/98/22/564219822.db2.gz TWTLOJQZQYHSOA-CYBMUJFWSA-N 1 0 377.286 2.908 20 0 GFADRO CC[N@@H+]1C[C@H](C)N(C(=O)NCCCCn2cc(Br)cn2)C[C@@H]1C ZINC000472306159 564219948 /nfs/dbraw/zinc/21/99/48/564219948.db2.gz PMSCPEHYGQWVHW-KBPBESRZSA-N 1 0 386.338 2.550 20 0 GFADRO Cc1cc(Br)cc(C)c1S(=O)(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000472338639 564221089 /nfs/dbraw/zinc/22/10/89/564221089.db2.gz ASJNRWGQCPZSSN-TZMCWYRMSA-N 1 0 387.343 2.969 20 0 GFADRO CCS(=O)(=O)N1CCC([C@@H](C)[N@H+](C)Cc2cnc(OC)c(Cl)c2)CC1 ZINC000564152492 564221857 /nfs/dbraw/zinc/22/18/57/564221857.db2.gz NAKXGXLQZKQGDC-CYBMUJFWSA-N 1 0 389.949 2.626 20 0 GFADRO Cc1ncc(S(=O)(=O)N2CCCC[C@H]2[C@H](C[NH3+])Cc2ccccc2)s1 ZINC000472338810 564222086 /nfs/dbraw/zinc/22/20/86/564222086.db2.gz BMLNKQCVVJTQSH-IRXDYDNUSA-N 1 0 379.551 2.812 20 0 GFADRO CCc1cc(CCC[NH+]2CCC(NS(=O)(=O)c3cccs3)CC2)on1 ZINC000450223872 564222409 /nfs/dbraw/zinc/22/24/09/564222409.db2.gz QJABKBOULBQVLM-UHFFFAOYSA-N 1 0 383.539 2.674 20 0 GFADRO CS(=O)(=O)N1CCCC[C@@H]1C[NH2+][C@H]1CCc2c1cccc2Br ZINC000507250458 564224199 /nfs/dbraw/zinc/22/41/99/564224199.db2.gz AJEHYGYNPHAZOT-WBMJQRKESA-N 1 0 387.343 2.840 20 0 GFADRO C[N@@H+]1CCCC12CCN(C(=O)[C@@H]1Cc3cc(Br)ccc3O1)CC2 ZINC000472488692 564224817 /nfs/dbraw/zinc/22/48/17/564224817.db2.gz SDYVWIKKUHKJIQ-INIZCTEOSA-N 1 0 379.298 2.839 20 0 GFADRO Cc1cc(NC(=O)C(=O)N[C@@H](c2nccn2C)C2CC2)ccc1Br ZINC000507394388 564227738 /nfs/dbraw/zinc/22/77/38/564227738.db2.gz PMXTXIFYRDARPN-CQSZACIVSA-N 1 0 391.269 2.697 20 0 GFADRO NC(=O)CN(CCC1CCCCC1)CC(=O)Nc1ccc(Br)cn1 ZINC000507405255 564227880 /nfs/dbraw/zinc/22/78/80/564227880.db2.gz KXRDHHHJZRDHBS-UHFFFAOYSA-N 1 0 397.317 2.540 20 0 GFADRO Cc1cc(Br)cc(C)c1CNC(=O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000564320478 564228786 /nfs/dbraw/zinc/22/87/86/564228786.db2.gz NUQJCSSCUOHNQV-AWEZNQCLSA-N 1 0 392.301 2.512 20 0 GFADRO CCOC(=O)COc1c(Br)cc(C)cc1CN(C)CC[NH+](C)C ZINC000564314230 564229004 /nfs/dbraw/zinc/22/90/04/564229004.db2.gz DWOGNSWXXUWWJN-UHFFFAOYSA-N 1 0 387.318 2.693 20 0 GFADRO CN(Cc1ccc(Br)o1)S(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000472692430 564231164 /nfs/dbraw/zinc/23/11/64/564231164.db2.gz SUCLZNNYOKDXRF-UHFFFAOYSA-N 1 0 387.299 2.924 20 0 GFADRO COCCOC[C@H](O)C[N@@H+]1CCC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000450491895 564235707 /nfs/dbraw/zinc/23/57/07/564235707.db2.gz YIQPJBCJPOWRGI-UKRRQHHQSA-N 1 0 378.296 2.861 20 0 GFADRO C[NH+](C)Cc1ccc(CNC(=O)NCCCn2cc(Br)cn2)cc1 ZINC000564482132 564235703 /nfs/dbraw/zinc/23/57/03/564235703.db2.gz MPIVHAXCZAWMGD-UHFFFAOYSA-N 1 0 394.317 2.597 20 0 GFADRO Cc1cccc(NC(=O)C(=O)N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)c1Br ZINC000507634546 564235975 /nfs/dbraw/zinc/23/59/75/564235975.db2.gz TXYCHTRRKKGJOO-UONOGXRCSA-N 1 0 394.313 2.781 20 0 GFADRO C[NH+](C)CCN(Cc1cccs1)S(=O)(=O)c1ccc2c(c1)CCCO2 ZINC000540041158 564238402 /nfs/dbraw/zinc/23/84/02/564238402.db2.gz OFAQGVNFDOTVTM-UHFFFAOYSA-N 1 0 380.535 2.826 20 0 GFADRO C[C@@](C[NH3+])(NC(=O)Nc1ccc(-c2ccc(Br)s2)nn1)C1CC1 ZINC000564549063 564238762 /nfs/dbraw/zinc/23/87/62/564238762.db2.gz UJJYYHYPNIZGSF-HNNXBMFYSA-N 1 0 396.314 3.217 20 0 GFADRO CC(C)n1cc(C[NH2+]CCCNC(=O)c2ccc(Br)cc2)nn1 ZINC000564605137 564240449 /nfs/dbraw/zinc/24/04/49/564240449.db2.gz FUQNBYCYPNFYEG-UHFFFAOYSA-N 1 0 380.290 2.531 20 0 GFADRO CS(=O)(=O)N1CCC[C@@H]1C[NH2+][C@H]1CCc2c1cc(Br)cc2F ZINC000540142712 564240672 /nfs/dbraw/zinc/24/06/72/564240672.db2.gz LYKPQWMOOQRHNP-ABAIWWIYSA-N 1 0 391.306 2.589 20 0 GFADRO CCN(C(=O)c1c(Br)cnn1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000450609222 564241033 /nfs/dbraw/zinc/24/10/33/564241033.db2.gz KHLAWLLGBHOEMK-OAHLLOKOSA-N 1 0 391.313 2.919 20 0 GFADRO CS(=O)(=O)CC1(C[NH2+][C@H]2CCc3c2cc(Br)cc3F)CC1 ZINC000540219941 564242495 /nfs/dbraw/zinc/24/24/95/564242495.db2.gz NTUZWQFWSLPPFW-AWEZNQCLSA-N 1 0 376.291 2.990 20 0 GFADRO C[NH+]1CCC(CCO)(NC(=O)COc2c(Cl)cc(Cl)cc2Cl)CC1 ZINC000450674970 564243514 /nfs/dbraw/zinc/24/35/14/564243514.db2.gz BRYUMZGTIVRBCX-UHFFFAOYSA-N 1 0 395.714 2.989 20 0 GFADRO O=C(C[NH2+][C@@H](c1ccc(Br)cc1)C1CCC1)NC(=O)NC1CC1 ZINC000540377739 564246869 /nfs/dbraw/zinc/24/68/69/564246869.db2.gz UGQDKRNGYLUCEH-MRXNPFEDSA-N 1 0 380.286 2.868 20 0 GFADRO FC(F)(F)c1nc(NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)ccc1Br ZINC000450795174 564248438 /nfs/dbraw/zinc/24/84/38/564248438.db2.gz SYVOSGWNEUEFCR-AOOOYVTPSA-N 1 0 380.208 3.138 20 0 GFADRO O=C(c1ncc(Br)cc1Br)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000564835133 564251644 /nfs/dbraw/zinc/25/16/44/564251644.db2.gz YFMRKFZGIYIPGL-ZJUUUORDSA-N 1 0 389.091 2.573 20 0 GFADRO Cc1ccc(Br)cc1C[NH2+][C@H]1CCCC[C@@H]1NS(C)(=O)=O ZINC000450864735 564252055 /nfs/dbraw/zinc/25/20/55/564252055.db2.gz UZHOMARDTGGJPJ-GJZGRUSLSA-N 1 0 375.332 2.708 20 0 GFADRO C[C@H]([NH2+]C[C@@H]1CS(=O)(=O)CCO1)c1cc2cc(Br)ccc2o1 ZINC000540609406 564252488 /nfs/dbraw/zinc/25/24/88/564252488.db2.gz SEAKECSAWBUXLT-GXFFZTMASA-N 1 0 388.283 2.660 20 0 GFADRO CO[C@H](CC[NH2+]C[C@@H](O)COc1cccc(Br)c1)C(F)(F)F ZINC000564863000 564253486 /nfs/dbraw/zinc/25/34/86/564253486.db2.gz DYPKPSVWMATLQU-DGCLKSJQSA-N 1 0 386.208 2.746 20 0 GFADRO CS(=O)(=O)Nc1cc(C(=O)NCCCCC[NH+]2CCCC2)ccc1Cl ZINC000508106709 564254506 /nfs/dbraw/zinc/25/45/06/564254506.db2.gz XJVDAXVCCJXGBY-UHFFFAOYSA-N 1 0 387.933 2.707 20 0 GFADRO COCCOC[C@@H](O)C[NH+]1CCC(C)(c2ccc(Br)cc2)CC1 ZINC000450913387 564254745 /nfs/dbraw/zinc/25/47/45/564254745.db2.gz NWBHKEZHCOLXOE-KRWDZBQOSA-N 1 0 386.330 2.827 20 0 GFADRO C[C@H]([NH2+]Cc1cccc(S(C)(=O)=O)c1)C1CCN(CC(F)(F)F)CC1 ZINC000450940979 564255924 /nfs/dbraw/zinc/25/59/24/564255924.db2.gz OVVOHGXHJDSPBB-ZDUSSCGKSA-N 1 0 378.460 2.843 20 0 GFADRO C[C@]1(CNC(=O)c2[nH]nc(-c3ccccc3)c2Br)CCC[NH2+]C1 ZINC000564950805 564258795 /nfs/dbraw/zinc/25/87/95/564258795.db2.gz QKJNWAOLZBKUHN-KRWDZBQOSA-N 1 0 377.286 2.959 20 0 GFADRO C[C@H](C[NH+]1CCCCC1)NS(=O)(=O)c1cc(Br)c(F)cc1F ZINC000473943948 564258773 /nfs/dbraw/zinc/25/87/73/564258773.db2.gz JDSJKZLPZNVEHT-SNVBAGLBSA-N 1 0 397.285 2.880 20 0 GFADRO C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)N[C@@H](CC[NH3+])C(F)F ZINC000564957319 564259199 /nfs/dbraw/zinc/25/91/99/564259199.db2.gz ATCYQZRQFZPZKD-XCBNKYQSSA-N 1 0 385.636 2.969 20 0 GFADRO Brc1cnc(C[NH2+][C@H]2CCn3ccnc3C2)c(Br)c1 ZINC000473987468 564260586 /nfs/dbraw/zinc/26/05/86/564260586.db2.gz NMQSWRNCZYYRFQ-JTQLQIEISA-N 1 0 386.091 2.908 20 0 GFADRO CC(=O)N[C@@]1(c2nc(Cc3cccc(Br)c3)cs2)CC[NH2+]C1 ZINC000564981813 564260990 /nfs/dbraw/zinc/26/09/90/564260990.db2.gz XRFLINLGQBRIBS-INIZCTEOSA-N 1 0 380.311 2.821 20 0 GFADRO CC(C)(C)[C@H]([NH3+])C(=O)N1CCN(Cc2cc(Br)ccc2F)CC1 ZINC000564993028 564261787 /nfs/dbraw/zinc/26/17/87/564261787.db2.gz NCBDCNBIVCJYPT-OAHLLOKOSA-N 1 0 386.309 2.606 20 0 GFADRO O=C(N[C@@H]1COc2cc(F)c(Br)cc21)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000564993060 564262207 /nfs/dbraw/zinc/26/22/07/564262207.db2.gz NLTCBGRGELBFKM-HZPDHXFCSA-N 1 0 391.240 2.852 20 0 GFADRO C[NH+]1CCN(Cc2ccc(CNS(=O)(=O)c3sccc3Cl)cc2)CC1 ZINC000451056988 564268577 /nfs/dbraw/zinc/26/85/77/564268577.db2.gz PPVBJLDKJFNANJ-UHFFFAOYSA-N 1 0 399.969 2.627 20 0 GFADRO C[C@@H]1CC[N@H+](C)CCN1C(=O)N[C@@H]1COc2cc(F)c(Br)cc21 ZINC000508652229 564269672 /nfs/dbraw/zinc/26/96/72/564269672.db2.gz PRAPDFJCHVEXCL-QMTHXVAHSA-N 1 0 386.265 2.757 20 0 GFADRO Cc1c(Br)scc1C(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C ZINC000474215595 564270531 /nfs/dbraw/zinc/27/05/31/564270531.db2.gz JIGUBZSFOTYVOY-SNVBAGLBSA-N 1 0 375.332 2.736 20 0 GFADRO COCC[NH2+]C1CCN(C(=O)NCc2cccc(Br)c2C)CC1 ZINC000565225700 564271632 /nfs/dbraw/zinc/27/16/32/564271632.db2.gz SEPUWIRNYIGKPQ-UHFFFAOYSA-N 1 0 384.318 2.668 20 0 GFADRO Cc1cc(Br)cc2c(C(=O)NCC3CC[NH+](CCO)CC3)coc21 ZINC000474268734 564272375 /nfs/dbraw/zinc/27/23/75/564272375.db2.gz XUPVBJSFNQXVJA-UHFFFAOYSA-N 1 0 395.297 2.938 20 0 GFADRO C[C@H](NC(=O)C1CC[NH+]([C@H]2CCSC2)CC1)c1ncc(Br)cn1 ZINC000565373272 564277830 /nfs/dbraw/zinc/27/78/30/564277830.db2.gz NYJJCSALCHCWFU-FZMZJTMJSA-N 1 0 399.358 2.634 20 0 GFADRO O=S(=O)(c1cc(Cl)ccc1OC(F)F)N1CCC2(CC[NH2+]C2)CC1 ZINC000565422992 564279438 /nfs/dbraw/zinc/27/94/38/564279438.db2.gz XFEHRXLSWCKPOL-UHFFFAOYSA-N 1 0 380.844 2.706 20 0 GFADRO CC1(c2cccc(Br)c2)CC[NH+](CCN2C(=O)CCC2=O)CC1 ZINC000509056277 564279497 /nfs/dbraw/zinc/27/94/97/564279497.db2.gz NFXLOTOIHYKLPV-UHFFFAOYSA-N 1 0 379.298 2.952 20 0 GFADRO C[C@@H](CNC(=O)NCC[N@H+]1CC=CCC1)Oc1ccccc1Br ZINC000474502689 564280750 /nfs/dbraw/zinc/28/07/50/564280750.db2.gz ZQTKPMKWFXQNGA-AWEZNQCLSA-N 1 0 382.302 2.778 20 0 GFADRO COc1ccc(Br)cc1C(=O)CCC(=O)N(C)CC[N@H+](C)C1CC1 ZINC000474578009 564281650 /nfs/dbraw/zinc/28/16/50/564281650.db2.gz HNFMNOCGIJWSOL-UHFFFAOYSA-N 1 0 397.313 2.973 20 0 GFADRO COc1cc(Br)c(C(=O)N2CC[N@H+](C)[C@@H](C(C)C)C2)cc1OC ZINC000451165076 564281631 /nfs/dbraw/zinc/28/16/31/564281631.db2.gz SYFXVYRLVYVQIG-CQSZACIVSA-N 1 0 385.302 2.879 20 0 GFADRO CC[C@@H]([NH2+][C@@H](C)Cc1ccc(F)cc1Br)C(=O)N1CCOCC1 ZINC000565472520 564282963 /nfs/dbraw/zinc/28/29/63/564282963.db2.gz DJLHNAQIVGCZBI-BLLLJJGKSA-N 1 0 387.293 2.746 20 0 GFADRO Ic1cccc(C[C@@H]2CC[N@H+](C[C@H]3COCCO3)C2)c1 ZINC000451193979 564285195 /nfs/dbraw/zinc/28/51/95/564285195.db2.gz QVPCSLGBVQGVMJ-HOCLYGCPSA-N 1 0 387.261 2.571 20 0 GFADRO CC(C)[C@H](Oc1ccccc1Br)C(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000565597450 564288440 /nfs/dbraw/zinc/28/84/40/564288440.db2.gz QISOVNMRCFFYMN-KBPBESRZSA-N 1 0 391.256 2.966 20 0 GFADRO CS[C@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2C)C[C@@H]1[NH+](C)C ZINC000509222045 564288710 /nfs/dbraw/zinc/28/87/10/564288710.db2.gz FUZMTKKTIDSSMS-STQMWFEESA-N 1 0 382.473 2.680 20 0 GFADRO COC[C@H](CCO)[NH2+][C@H](C)CCc1ccc(I)cc1 ZINC000474810615 564290181 /nfs/dbraw/zinc/29/01/81/564290181.db2.gz PPWAQTITBRFFRY-DOMZBBRYSA-N 1 0 377.266 2.599 20 0 GFADRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)S(=O)(=O)Cc1ccc(Br)c(F)c1 ZINC000451241024 564290462 /nfs/dbraw/zinc/29/04/62/564290462.db2.gz IVJYOQDZDDIXDD-XHDPSFHLSA-N 1 0 393.322 2.690 20 0 GFADRO CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000565705513 564291846 /nfs/dbraw/zinc/29/18/46/564291846.db2.gz PYUCUBPQCQXAFB-JFOHDYCDSA-N 1 0 396.329 2.919 20 0 GFADRO CC[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(CC)CC)c1 ZINC000565717053 564292525 /nfs/dbraw/zinc/29/25/25/564292525.db2.gz PSKHSWQGIASGQK-HIFRSBDPSA-N 1 0 387.933 2.697 20 0 GFADRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NCCNc1cccc(Br)c1 ZINC000541848830 564292753 /nfs/dbraw/zinc/29/27/53/564292753.db2.gz CWBNOTNNQXJHJK-BLLLJJGKSA-N 1 0 381.318 2.643 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(I)ccc1F ZINC000474906128 564292916 /nfs/dbraw/zinc/29/29/16/564292916.db2.gz KCJXWYHXXGUVRC-LLVKDONJSA-N 1 0 376.213 2.644 20 0 GFADRO Brc1ccc2oc(CN3CC[NH+](C[C@H]4CCOC4)CC3)nc2c1 ZINC000509345856 564293507 /nfs/dbraw/zinc/29/35/07/564293507.db2.gz ZUZCBPAFMJYXDW-CYBMUJFWSA-N 1 0 380.286 2.744 20 0 GFADRO Cc1nc2ccc(Br)cn2c1C(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000474971136 564296509 /nfs/dbraw/zinc/29/65/09/564296509.db2.gz GBPPVSBAZCWYMI-GFCCVEGCSA-N 1 0 379.302 2.867 20 0 GFADRO CCCOc1ccc(Br)cc1C[NH2+]CCCn1cc(CO)nn1 ZINC000565803733 564296624 /nfs/dbraw/zinc/29/66/24/564296624.db2.gz MSOIZULQNUFFKI-UHFFFAOYSA-N 1 0 383.290 2.502 20 0 GFADRO CC[NH+](CC)CCN(CCC(F)(F)F)S(=O)(=O)CC1CC(F)(F)C1 ZINC000451301748 564297434 /nfs/dbraw/zinc/29/74/34/564297434.db2.gz JMRFMSPURAVROD-UHFFFAOYSA-N 1 0 380.423 2.958 20 0 GFADRO Cn1cc(CN2C[C@@H](F)C[C@H]2C[NH2+]Cc2sccc2Br)cn1 ZINC000475039063 564298574 /nfs/dbraw/zinc/29/85/74/564298574.db2.gz OHFVGRGFVNUGED-STQMWFEESA-N 1 0 387.322 2.946 20 0 GFADRO C[N@@H+](Cc1ccc(Br)o1)C[C@@H]1C[C@H](F)CN1Cc1ncccn1 ZINC000475097882 564299103 /nfs/dbraw/zinc/29/91/03/564299103.db2.gz ZBCKGKOPASRPIT-STQMWFEESA-N 1 0 383.265 2.877 20 0 GFADRO CCS(=O)(=O)C[C@@H](C)[NH2+]C[C@@H](O)COc1cc(C)c(Cl)cc1C(C)C ZINC000565888469 564300883 /nfs/dbraw/zinc/30/08/83/564300883.db2.gz MLXIMNYJOXVMDD-HUUCEWRRSA-N 1 0 391.961 2.924 20 0 GFADRO [NH3+][C@H]1CCO[C@@H](C2CCN(C(=O)COc3ccccc3Br)CC2)C1 ZINC000565945330 564303675 /nfs/dbraw/zinc/30/36/75/564303675.db2.gz BRPHFONIXFECJK-WMLDXEAASA-N 1 0 397.313 2.573 20 0 GFADRO CC[C@H]1C[N@H+](C)CCCN1S(=O)(=O)c1cccc(C)c1Br ZINC000565978647 564304004 /nfs/dbraw/zinc/30/40/04/564304004.db2.gz GHKPNPFFNGVWNI-ZDUSSCGKSA-N 1 0 375.332 2.862 20 0 GFADRO O=C(NC[C@H]1C[NH2+]CCO1)c1ccc(-c2ccc(Br)cc2)s1 ZINC000566093787 564308259 /nfs/dbraw/zinc/30/82/59/564308259.db2.gz VTCHUMFWPUKJQQ-CYBMUJFWSA-N 1 0 381.295 2.896 20 0 GFADRO CN(Cc1ccccc1Br)C(=O)Cn1cc2c(n1)[C@H]([NH3+])CCC2 ZINC000566103542 564309385 /nfs/dbraw/zinc/30/93/85/564309385.db2.gz YJZXYINFPZLWDM-OAHLLOKOSA-N 1 0 377.286 2.640 20 0 GFADRO COc1ccncc1C[NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000566122278 564310197 /nfs/dbraw/zinc/31/01/97/564310197.db2.gz GALKNAFAEBETJN-CQSZACIVSA-N 1 0 385.233 2.521 20 0 GFADRO Cc1ncsc1CC[NH2+]CCS(=O)(=O)c1cccc(Br)c1 ZINC000566120357 564310307 /nfs/dbraw/zinc/31/03/07/564310307.db2.gz OEDNQPGWTNUOHQ-UHFFFAOYSA-N 1 0 389.340 2.820 20 0 GFADRO O=S(=O)(CCC[NH2+]C[C@H](O)COc1ccc(Cl)cc1)c1ccccc1 ZINC000566108867 564310575 /nfs/dbraw/zinc/31/05/75/564310575.db2.gz GLTBSUHBPLFKGS-INIZCTEOSA-N 1 0 383.897 2.533 20 0 GFADRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)C(=O)Nc1ccc(F)c(Br)c1 ZINC000509759237 564311940 /nfs/dbraw/zinc/31/19/40/564311940.db2.gz OGBFABVQJKLUSH-IAQYHMDHSA-N 1 0 398.276 2.612 20 0 GFADRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)C(=O)Nc1ccc(F)c(Br)c1 ZINC000509759242 564312160 /nfs/dbraw/zinc/31/21/60/564312160.db2.gz OGBFABVQJKLUSH-XHDPSFHLSA-N 1 0 398.276 2.612 20 0 GFADRO Cc1cccc(NC(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)[C@H]2C)c1Br ZINC000509794329 564313741 /nfs/dbraw/zinc/31/37/41/564313741.db2.gz UIAIPRSCRUVBML-UKRRQHHQSA-N 1 0 394.313 2.781 20 0 GFADRO CC(=O)NC1CCC([N@H+](C)Cc2cnc3ccc(Br)cn23)CC1 ZINC000542463735 564314240 /nfs/dbraw/zinc/31/42/40/564314240.db2.gz MOFFJGJLKXVQJL-UHFFFAOYSA-N 1 0 379.302 2.976 20 0 GFADRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2S(=O)(=O)c2cccc(Br)c2F)C1 ZINC000542467681 564314330 /nfs/dbraw/zinc/31/43/30/564314330.db2.gz PTUUVUFSJZANJF-WCQYABFASA-N 1 0 391.306 2.693 20 0 GFADRO CCN(CC[NH+]1CCCCCC1)C(=O)C(=O)Nc1ccc(Br)cn1 ZINC000509813377 564314835 /nfs/dbraw/zinc/31/48/35/564314835.db2.gz WZFAELGHAXTXBT-UHFFFAOYSA-N 1 0 397.317 2.507 20 0 GFADRO CC(=O)c1ccc(CNC(=O)[C@](C)([NH3+])c2ccc(Br)cc2)nc1C ZINC000566191217 564315101 /nfs/dbraw/zinc/31/51/01/564315101.db2.gz AJBQCAUQMTUBBO-GOSISDBHSA-N 1 0 390.281 2.845 20 0 GFADRO CNC(=O)C[N@H+](CCOc1cccc(Br)c1)C[C@@H]1CCCS1 ZINC000475678635 564315424 /nfs/dbraw/zinc/31/54/24/564315424.db2.gz PTVBAINQULTYGS-HNNXBMFYSA-N 1 0 387.343 2.772 20 0 GFADRO OC[C@@H](C[NH2+]C[C@@H](O)COc1c(Cl)cccc1Cl)Cc1cccnc1 ZINC000566231410 564318298 /nfs/dbraw/zinc/31/82/98/564318298.db2.gz PWEPDHREKCZDEI-HUUCEWRRSA-N 1 0 385.291 2.569 20 0 GFADRO CC[C@H]1[NH2+]CC[C@H]1C(=O)Nc1cc(F)c(I)c(F)c1 ZINC000566248393 564318920 /nfs/dbraw/zinc/31/89/20/564318920.db2.gz BVZXDQYKDUHKLS-LDYMZIIASA-N 1 0 380.176 2.896 20 0 GFADRO COc1ccc(S(=O)(=O)N(C)CCC[NH+]2CCCC2)c(Br)c1 ZINC000542690008 564320640 /nfs/dbraw/zinc/32/06/40/564320640.db2.gz GGPVUIVUWRZMTL-UHFFFAOYSA-N 1 0 391.331 2.564 20 0 GFADRO COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)N(CC[NH+](C)C)C(C)C ZINC000510020904 564322124 /nfs/dbraw/zinc/32/21/24/564322124.db2.gz PEFRJURADMENPP-UHFFFAOYSA-N 1 0 397.324 2.741 20 0 GFADRO CCC(C)(C)[NH2+][C@H](C)C(=O)NCC(=O)Nc1cc(Br)ccc1C ZINC000475919136 564324729 /nfs/dbraw/zinc/32/47/29/564324729.db2.gz LHODNZMYCUKXFN-GFCCVEGCSA-N 1 0 384.318 2.979 20 0 GFADRO CO[C@H]1CC[N@H+](CC(=O)N(C)CCOc2ccc(Br)cc2)C[C@@H]1C ZINC000451550660 564324996 /nfs/dbraw/zinc/32/49/96/564324996.db2.gz VKHBWFORRPMFTL-YOEHRIQHSA-N 1 0 399.329 2.643 20 0 GFADRO COCC[NH2+]C1CCN(C(=O)N[C@@H](C)Cc2cccc(Br)c2)CC1 ZINC000566352250 564325028 /nfs/dbraw/zinc/32/50/28/564325028.db2.gz DSZFQSIXIFZCNN-AWEZNQCLSA-N 1 0 398.345 2.790 20 0 GFADRO CCOCCC[N@@H+]1CC[C@@H](NS(=O)(=O)c2cccc(SC)c2)[C@H](C)C1 ZINC000510144689 564326272 /nfs/dbraw/zinc/32/62/72/564326272.db2.gz CPHXIWNGSGOXPT-CRAIPNDOSA-N 1 0 386.583 2.824 20 0 GFADRO O[C@@H](COC1CCOCC1)C[N@@H+]1CC[C@@H](c2cccc(Br)c2)C1 ZINC000451569922 564326808 /nfs/dbraw/zinc/32/68/08/564326808.db2.gz PBEABYISXFBPBS-NVXWUHKLSA-N 1 0 384.314 2.795 20 0 GFADRO C[NH+](C)CCn1ccc(C(=O)NC/C=C\c2ccc(Br)cc2)n1 ZINC000566468606 564328689 /nfs/dbraw/zinc/32/86/89/564328689.db2.gz OUQKGWLAEYRAQO-ARJAWSKDSA-N 1 0 377.286 2.650 20 0 GFADRO COC(=O)[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)N[C@H](C)c1ccc(Br)cc1 ZINC000451590243 564329130 /nfs/dbraw/zinc/32/91/30/564329130.db2.gz BJTQXNYMBKRYMP-WQVCFCJDSA-N 1 0 397.313 2.948 20 0 GFADRO O=C(NC1CC[NH2+]CC1)N(Cc1cccc(Br)c1)C1CCOCC1 ZINC000566611074 564334247 /nfs/dbraw/zinc/33/42/47/564334247.db2.gz XXEUUNNWPBUVOP-UHFFFAOYSA-N 1 0 396.329 2.892 20 0 GFADRO O=C(N[C@H]1CCSc2ccc(Cl)cc21)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000566617797 564334448 /nfs/dbraw/zinc/33/44/48/564334448.db2.gz UKDCONQSMTUTLX-JSGCOSHPSA-N 1 0 377.901 2.650 20 0 GFADRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1S(=O)(=O)c1cccc(Br)c1F ZINC000510486422 564335461 /nfs/dbraw/zinc/33/54/61/564335461.db2.gz ZKNDAKLFHOGRLP-RYUDHWBXSA-N 1 0 391.306 2.836 20 0 GFADRO C[NH+](C)Cc1ccc(S(=O)(=O)NCCOc2ccc(F)c(Cl)c2)cc1 ZINC000451674446 564338341 /nfs/dbraw/zinc/33/83/41/564338341.db2.gz AGNJZFHWWUMLRA-UHFFFAOYSA-N 1 0 386.876 2.898 20 0 GFADRO C[C@@H](NC(=O)NCc1cn2cc(Br)ccc2n1)C1=CC[N@H+](C)CC1 ZINC000510572183 564339694 /nfs/dbraw/zinc/33/96/94/564339694.db2.gz KGZDRJRGLYLBEO-GFCCVEGCSA-N 1 0 392.301 2.546 20 0 GFADRO O=C(Cc1ccc(Br)s1)N1CC[C@@H](OCC[NH+]2CCCC2)C1 ZINC000476458616 564340715 /nfs/dbraw/zinc/34/07/15/564340715.db2.gz JVCVZCAXKNEFEW-CYBMUJFWSA-N 1 0 387.343 2.766 20 0 GFADRO CC[N@@H+]1CCCN(C(=O)NCc2cc(F)c(F)cc2Br)CC1 ZINC000510738142 564345208 /nfs/dbraw/zinc/34/52/08/564345208.db2.gz ZQWUGZRDBLQBDP-UHFFFAOYSA-N 1 0 376.245 2.965 20 0 GFADRO CCN(CC)C(=O)CCC[NH2+]Cc1cn(-c2ccccc2Br)nn1 ZINC000566885055 564347513 /nfs/dbraw/zinc/34/75/13/564347513.db2.gz XNKPOQMFHVIZKQ-UHFFFAOYSA-N 1 0 394.317 2.768 20 0 GFADRO CN(C)S(=O)(=O)CC[NH+]1CCC(C)(c2ccc(Br)cc2)CC1 ZINC000510798161 564347964 /nfs/dbraw/zinc/34/79/64/564347964.db2.gz RCHQFWZVQGZOIZ-UHFFFAOYSA-N 1 0 389.359 2.694 20 0 GFADRO C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)Cc1cc(-n2ccnc2)cs1 ZINC000543396550 564348776 /nfs/dbraw/zinc/34/87/76/564348776.db2.gz SDMXQXONQOPYPF-CYBMUJFWSA-N 1 0 376.507 2.774 20 0 GFADRO COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]C[C@H]1CCCCS1(=O)=O ZINC000543411881 564349581 /nfs/dbraw/zinc/34/95/81/564349581.db2.gz CCGIZODPMSCGOQ-GXTWGEPZSA-N 1 0 388.917 2.623 20 0 GFADRO COC(=O)c1ccc(C[N@@H+]2CCC[C@@H](CNC(=O)CC(F)(F)F)C2)s1 ZINC000510919242 564349915 /nfs/dbraw/zinc/34/99/15/564349915.db2.gz HSTAVTALPPDFQE-NSHDSACASA-N 1 0 378.416 2.815 20 0 GFADRO CCC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1sc(C)cc1Br ZINC000510987417 564352869 /nfs/dbraw/zinc/35/28/69/564352869.db2.gz ZUAQERXECWHWQS-NSHDSACASA-N 1 0 381.361 2.972 20 0 GFADRO C[C@@H](CC1CCOCC1)[NH2+]CCNS(=O)(=O)c1ccc(F)cc1Cl ZINC000510984285 564353206 /nfs/dbraw/zinc/35/32/06/564353206.db2.gz JZUSSHQOGUNLCA-LBPRGKRZSA-N 1 0 378.897 2.552 20 0 GFADRO Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000567015518 564353395 /nfs/dbraw/zinc/35/33/95/564353395.db2.gz SGHMNRXPLYMXCM-UHFFFAOYSA-N 1 0 381.322 2.883 20 0 GFADRO C[C@@H]([NH2+][C@H](C)c1cnn(C)c1)C(=O)N(C)Cc1ccc(Br)cc1 ZINC000543506283 564353454 /nfs/dbraw/zinc/35/34/54/564353454.db2.gz ZANRYKFSDSCCJF-CHWSQXEVSA-N 1 0 379.302 2.880 20 0 GFADRO CCO[C@H]1C[C@@H]([NH2+]CCNS(=O)(=O)c2ccc(F)cc2Cl)C1(C)C ZINC000511021158 564353750 /nfs/dbraw/zinc/35/37/50/564353750.db2.gz YLHGQLIATKTJCI-CABCVRRESA-N 1 0 378.897 2.551 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CC[NH2+]Cc1cnc(N(C)C)nc1 ZINC000543620697 564356407 /nfs/dbraw/zinc/35/64/07/564356407.db2.gz HYNJQKWWQLRAAN-UHFFFAOYSA-N 1 0 392.301 2.732 20 0 GFADRO C[C@H](O)C[N@@H+]1CCN(C(=O)CCCc2ccccc2Br)[C@@H](C)C1 ZINC000476869947 564356473 /nfs/dbraw/zinc/35/64/73/564356473.db2.gz MXAXGCOZZRKNMQ-GJZGRUSLSA-N 1 0 383.330 2.685 20 0 GFADRO O=S(=O)(NCCC[NH2+][C@H]1COc2ccccc2C1)c1ccccc1Cl ZINC000567129212 564358550 /nfs/dbraw/zinc/35/85/50/564358550.db2.gz ZLROGMQCALQTGW-OAHLLOKOSA-N 1 0 380.897 2.602 20 0 GFADRO CN(C)S(=O)(=O)[C@H]1CCCN(Cc2cc(-c3ccc(Cl)cc3)no2)C1 ZINC000511136465 564359734 /nfs/dbraw/zinc/35/97/34/564359734.db2.gz AUUAWDCSLHJJGN-INIZCTEOSA-N 1 0 383.901 2.851 20 0 GFADRO COc1ccc(NC(=O)CC[N@@H+]2CC[C@H]([C@@H](O)C(F)(F)F)C2)cc1Cl ZINC000451887725 564362170 /nfs/dbraw/zinc/36/21/70/564362170.db2.gz KCYHQSVZUQCWSC-ZUZCIYMTSA-N 1 0 380.794 2.922 20 0 GFADRO CN(C)c1ncc(CNC(=O)C(C)(C)c2cccc(Br)c2)n1C ZINC000511214008 564362221 /nfs/dbraw/zinc/36/22/21/564362221.db2.gz IPTOHJZOOALOQM-UHFFFAOYSA-N 1 0 379.302 2.843 20 0 GFADRO C[C@@H]1C[C@H](N2CCOCC2)CN1S(=O)(=O)Cc1c(Cl)cccc1Cl ZINC000511226261 564362921 /nfs/dbraw/zinc/36/29/21/564362921.db2.gz YAZSXCFVZZCKDM-OLZOCXBDSA-N 1 0 393.336 2.618 20 0 GFADRO C[C@](CO)([NH2+]C[C@@H](O)COCC(F)(F)F)c1cc(Cl)cc(Cl)c1 ZINC000451903315 564364413 /nfs/dbraw/zinc/36/44/13/564364413.db2.gz DUZYHCDUSJXQEJ-CHWSQXEVSA-N 1 0 376.202 2.730 20 0 GFADRO CC[N@H+](CCNC(=O)N[C@H](CCO)c1ccccc1Br)C1CC1 ZINC000543823233 564364940 /nfs/dbraw/zinc/36/49/40/564364940.db2.gz BFCYVNVDMMZXPI-MRXNPFEDSA-N 1 0 384.318 2.656 20 0 GFADRO N[C@@](C(=O)NC1[C@@H]2CC[C@H]1CC([NH3+])C2)(c1cccc(Cl)c1)C(F)(F)F ZINC000567351470 564367939 /nfs/dbraw/zinc/36/79/39/564367939.db2.gz PCDVSVKKTBJSQK-VKILHVCBSA-N 1 0 375.822 2.688 20 0 GFADRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)c1ccc(C(F)(F)F)nc1 ZINC000543908857 564368542 /nfs/dbraw/zinc/36/85/42/564368542.db2.gz ODRALNRQYZQUAN-XQQFMLRXSA-N 1 0 379.448 2.745 20 0 GFADRO O=S(=O)(NCCC[NH+]1CCCCC1)c1cccc(Br)c1F ZINC000544002057 564371845 /nfs/dbraw/zinc/37/18/45/564371845.db2.gz MERUMKTYRSLASI-UHFFFAOYSA-N 1 0 379.295 2.743 20 0 GFADRO O=C(CCOC1C[NH2+]C1)Nc1ncc(Cc2cccc(Br)c2)s1 ZINC000567463185 564372939 /nfs/dbraw/zinc/37/29/39/564372939.db2.gz CXLVQMWZWOUBMG-UHFFFAOYSA-N 1 0 396.310 2.813 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)C(=O)Nc1cc(Cl)cc(C(F)(F)F)c1)C1CC1 ZINC000477327388 564373283 /nfs/dbraw/zinc/37/32/83/564373283.db2.gz WJNPWMCRGSDNBR-CYBMUJFWSA-N 1 0 377.794 2.754 20 0 GFADRO CC1CC[NH+](CCNC(=O)c2ccc(F)c(I)c2)CC1 ZINC000477342272 564374006 /nfs/dbraw/zinc/37/40/06/564374006.db2.gz NSMCQCSUWFJNOQ-UHFFFAOYSA-N 1 0 390.240 2.892 20 0 GFADRO [NH3+]C[C@H]1CC[C@H](CNC(=O)c2ccc(I)c(F)c2)CC1 ZINC000567500907 564374940 /nfs/dbraw/zinc/37/49/40/564374940.db2.gz UYPIWEZGGQIVOX-XYPYZODXSA-N 1 0 390.240 2.925 20 0 GFADRO C[C@H]1CC[N@H+](CCNS(=O)(=O)c2cccc(Cl)c2Br)C1 ZINC000567542134 564376372 /nfs/dbraw/zinc/37/63/72/564376372.db2.gz XJMGGWZSHAAQFW-JTQLQIEISA-N 1 0 381.723 2.723 20 0 GFADRO C[C@H](CNS(=O)(=O)c1ccc(OCC(F)F)cc1)[N@@H+]1CCCC[C@@H]1C ZINC000544120974 564376465 /nfs/dbraw/zinc/37/64/65/564376465.db2.gz VBJDAYFHFFDDES-UONOGXRCSA-N 1 0 376.469 2.872 20 0 GFADRO CC(C)[NH+]1CCC(NC(=O)CN(C)Cc2cccc(Br)c2)CC1 ZINC000511658772 564379360 /nfs/dbraw/zinc/37/93/60/564379360.db2.gz LUCVKPOVCWQDFE-UHFFFAOYSA-N 1 0 382.346 2.870 20 0 GFADRO C[C@H](CC[NH+](C)C)NC(=O)[C@H](c1cc(Cl)cc(Cl)c1)N1CCOCC1 ZINC000511785761 564382424 /nfs/dbraw/zinc/38/24/24/564382424.db2.gz MTJIKULBMSVHMV-DYVFJYSZSA-N 1 0 388.339 2.823 20 0 GFADRO C[C@@H]1[C@@H](NC(=O)C(=O)Nc2cc(Cl)cc(C(F)(F)F)c2)CCC[N@@H+]1C ZINC000477643275 564383070 /nfs/dbraw/zinc/38/30/70/564383070.db2.gz KMMABDBGQXKSLW-RNCFNFMXSA-N 1 0 377.794 2.896 20 0 GFADRO O[C@@H](C[NH2+]CCCNc1ccccn1)COc1cc(F)cc(Br)c1 ZINC000567690477 564383517 /nfs/dbraw/zinc/38/35/17/564383517.db2.gz BZZAIOKJYCICMA-HNNXBMFYSA-N 1 0 398.276 2.815 20 0 GFADRO C[NH+](C)CC1CCN(S(=O)(=O)c2cccc(Br)c2F)CC1 ZINC000544353199 564383860 /nfs/dbraw/zinc/38/38/60/564383860.db2.gz QZLUKEZCIMUGOX-UHFFFAOYSA-N 1 0 379.295 2.551 20 0 GFADRO Cc1cc(NC(=O)CC[NH2+]CCc2c[nH]c3ccc(Br)cc23)no1 ZINC000567710362 564384285 /nfs/dbraw/zinc/38/42/85/564384285.db2.gz JRPJPTNGIFVOQG-UHFFFAOYSA-N 1 0 391.269 3.388 20 0 GFADRO CS[C@H]1CN(C(=O)c2cnc(Cc3ccccc3F)s2)C[C@@H]1[NH+](C)C ZINC000477711262 564384984 /nfs/dbraw/zinc/38/49/84/564384984.db2.gz IQSCGRDTCRCXNL-HOCLYGCPSA-N 1 0 379.526 2.991 20 0 GFADRO CC[C@@H]1C[N@H+](C)CCN1Cc1noc(Cc2ccc(Br)cc2)n1 ZINC000567725155 564385632 /nfs/dbraw/zinc/38/56/32/564385632.db2.gz XZHYWJGJTQCGML-OAHLLOKOSA-N 1 0 379.302 2.949 20 0 GFADRO CC[C@H](CO)[NH+]1CCN([C@H](C(=O)OC)c2cc(Cl)cc(Cl)c2)CC1 ZINC000477764449 564386802 /nfs/dbraw/zinc/38/68/02/564386802.db2.gz LBPLOZFSEMPZQH-CVEARBPZSA-N 1 0 375.296 2.596 20 0 GFADRO C[NH2+][C@@H](CC(C)(C)C)C(=O)NCc1nnc(-c2ccc(Br)cc2)[nH]1 ZINC000567764269 564387477 /nfs/dbraw/zinc/38/74/77/564387477.db2.gz SOHTUUXBCYFKGH-ZDUSSCGKSA-N 1 0 394.317 2.875 20 0 GFADRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1ccc(F)c(I)c1 ZINC000477780765 564387587 /nfs/dbraw/zinc/38/75/87/564387587.db2.gz RCLHIJCHXFYLTN-YMTOWFKASA-N 1 0 388.224 2.643 20 0 GFADRO COc1cc(S(=O)(=O)NC(C)(C)C[NH+]2CCCC2)ccc1Br ZINC000452091846 564390342 /nfs/dbraw/zinc/39/03/42/564390342.db2.gz WLILWPPOCIHUMS-UHFFFAOYSA-N 1 0 391.331 2.610 20 0 GFADRO C[C@@H]([NH3+])C[C@H](C)NC(=O)NCC1(c2cccc(Br)c2)CCOCC1 ZINC000567819317 564390737 /nfs/dbraw/zinc/39/07/37/564390737.db2.gz FLDYLFBFMDZVGC-KGLIPLIRSA-N 1 0 398.345 2.922 20 0 GFADRO C[C@@H](c1ccccc1Br)[N@@H+]1CCC[C@](O)(C(=O)N2CCCC2)C1 ZINC000452093146 564391015 /nfs/dbraw/zinc/39/10/15/564391015.db2.gz IMBSTMREGZAQNM-KBXCAEBGSA-N 1 0 381.314 2.959 20 0 GFADRO O=S(=O)(N[C@@H]1CCCN(Cc2ccc(F)cc2Cl)C1)[C@@H]1CCCOC1 ZINC000544660591 564392634 /nfs/dbraw/zinc/39/26/34/564392634.db2.gz JIRJBOUPBKTXHQ-HZPDHXFCSA-N 1 0 390.908 2.542 20 0 GFADRO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)Nc1cc(Br)cc(C(F)(F)F)c1 ZINC000567866991 564393344 /nfs/dbraw/zinc/39/33/44/564393344.db2.gz CMSZVDKCPOMENX-YUMQZZPRSA-N 1 0 396.207 2.648 20 0 GFADRO CN(Cc1cc(Br)cs1)C(=O)CN1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000567891289 564394405 /nfs/dbraw/zinc/39/44/05/564394405.db2.gz XKJYFSFSDPLSAE-CQDKDKBSSA-N 1 0 386.359 2.528 20 0 GFADRO COc1ccc(Br)cc1CNC(=O)[C@H]1[NH2+]CCc2ccccc21 ZINC000567890734 564394524 /nfs/dbraw/zinc/39/45/24/564394524.db2.gz CYAIUPFURBUWKI-KRWDZBQOSA-N 1 0 375.266 2.961 20 0 GFADRO C[C@H]1CN(C(=O)c2cc3c(c(Br)c2)OCO3)CC[N@@H+](C2CC2)C1 ZINC000452170045 564398208 /nfs/dbraw/zinc/39/82/08/564398208.db2.gz JTCJWOGNTXRLAP-LLVKDONJSA-N 1 0 381.270 2.734 20 0 GFADRO CCO[C@@H]1COCC[C@H]1[NH2+][C@@H](C)CC(=O)Nc1cccc(Br)c1 ZINC000544828405 564400228 /nfs/dbraw/zinc/40/02/28/564400228.db2.gz QJRGJBRPESTNAD-APHBMKBZSA-N 1 0 385.302 2.950 20 0 GFADRO C[NH+](C)C[C@H]1CCN(S(=O)(=O)c2cc(Br)sc2Cl)C1 ZINC000512404555 564400562 /nfs/dbraw/zinc/40/05/62/564400562.db2.gz HJPACVFFFOMCLD-MRVPVSSYSA-N 1 0 387.752 2.736 20 0 GFADRO CC[NH+](CC)CC[C@@H](CO)NC(=O)[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000568216474 564409394 /nfs/dbraw/zinc/40/93/94/564409394.db2.gz RTXUTVCNMYUPDA-YESZJQIVSA-N 1 0 383.330 2.762 20 0 GFADRO Cc1ccc(CSCC[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)cc1 ZINC000568254620 564411079 /nfs/dbraw/zinc/41/10/79/564411079.db2.gz FNMGNBCYAHTTMC-UHFFFAOYSA-N 1 0 375.519 2.558 20 0 GFADRO O=C(CCC(=O)c1cc(Cl)sc1Cl)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000452379682 564411230 /nfs/dbraw/zinc/41/12/30/564411230.db2.gz CWRYJNJSJLSBJT-NSHDSACASA-N 1 0 393.336 2.981 20 0 GFADRO CC(C)c1ccccc1OC[C@@H](O)C[NH2+]Cc1ccc(S(C)(=O)=O)s1 ZINC000568255633 564411407 /nfs/dbraw/zinc/41/14/07/564411407.db2.gz SLZSBDMYXGDUHD-AWEZNQCLSA-N 1 0 383.535 2.805 20 0 GFADRO C[NH+](C)CCN1C[C@H](C(=O)Nc2cc(Cl)cc(C(F)(F)F)c2)CC1=O ZINC000478682295 564411633 /nfs/dbraw/zinc/41/16/33/564411633.db2.gz PACBSYRVHLZPMO-SNVBAGLBSA-N 1 0 377.794 2.707 20 0 GFADRO O=C(NC[C@@H]1CCCC[N@H+]1CCO)c1cc2c(ccc(F)c2Br)[nH]1 ZINC000452381189 564411673 /nfs/dbraw/zinc/41/16/73/564411673.db2.gz VIXJEUYJXHHWGU-NSHDSACASA-N 1 0 398.276 2.646 20 0 GFADRO CCC[N@@H+]1CC[C@H](CNC(=O)NCc2cc(Br)cc3c2OCC3)C1 ZINC000545194304 564412341 /nfs/dbraw/zinc/41/23/41/564412341.db2.gz HFELJVRAYWOSNH-CYBMUJFWSA-N 1 0 396.329 2.915 20 0 GFADRO O=C(CCCc1ccccc1Br)NC[C@@H]1CCCC[N@H+]1CCO ZINC000452387947 564412843 /nfs/dbraw/zinc/41/28/43/564412843.db2.gz INDGZUBJVTVVIX-INIZCTEOSA-N 1 0 383.330 2.735 20 0 GFADRO CC[NH+]1CCC(CNC(=O)C(=O)NCCc2cc(Cl)cc(Cl)c2)CC1 ZINC000568304708 564413058 /nfs/dbraw/zinc/41/30/58/564413058.db2.gz HHJHENAEYVPQHW-UHFFFAOYSA-N 1 0 386.323 2.500 20 0 GFADRO Cc1cc(Br)ccc1C[NH2+]C[C@H]1CCCC[C@@H]1NS(C)(=O)=O ZINC000512848964 564413799 /nfs/dbraw/zinc/41/37/99/564413799.db2.gz AQCQECBKOMTAOF-ZBFHGGJFSA-N 1 0 389.359 2.955 20 0 GFADRO CC1(C)NC(=O)CC[C@H]1[NH2+]Cc1nnc2c(Cl)cc(C(F)(F)F)cn12 ZINC000568345936 564415051 /nfs/dbraw/zinc/41/50/51/564415051.db2.gz KTBKJQUNEYCRGJ-SNVBAGLBSA-N 1 0 375.782 2.548 20 0 GFADRO Cc1cc(NC(=O)C(=O)N2CCC3(CC[NH2+]C3)CC2)cc(C)c1Br ZINC000568369942 564415406 /nfs/dbraw/zinc/41/54/06/564415406.db2.gz JDWGIOQTIBFBQY-UHFFFAOYSA-N 1 0 394.313 2.607 20 0 GFADRO COC(=O)C[C@@H]1CC[C@@H]([NH2+]CC(=O)Nc2ccc(Br)cc2)[C@@H]1C ZINC000478855154 564416555 /nfs/dbraw/zinc/41/65/55/564416555.db2.gz LVTCSQBMCVHTQX-TYNCELHUSA-N 1 0 383.286 2.955 20 0 GFADRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)Cc1noc2ccc(Br)cc21 ZINC000568383333 564416684 /nfs/dbraw/zinc/41/66/84/564416684.db2.gz BBGNYGOFSWZMEK-ZUZCIYMTSA-N 1 0 378.270 2.732 20 0 GFADRO COc1ccc(Br)c(C[NH2+]C[C@@H](N2CCOCC2)C(F)(F)F)c1 ZINC000512982990 564417170 /nfs/dbraw/zinc/41/71/70/564417170.db2.gz KCAMLNAUJQOWFT-CQSZACIVSA-N 1 0 397.235 2.810 20 0 GFADRO C[S@@](=O)c1ccc(C[NH2+]C2CCN(C(=O)c3cc(Cl)c[nH]3)CC2)cc1 ZINC000513037963 564418785 /nfs/dbraw/zinc/41/87/85/564418785.db2.gz VMVPTSRZJQEALS-RUZDIDTESA-N 1 0 379.913 2.800 20 0 GFADRO C[C@@H]1CC[N@H+](C)CCN1C(=O)c1ncc(Br)cc1Br ZINC000545384467 564420649 /nfs/dbraw/zinc/42/06/49/564420649.db2.gz CSXFMQIVWIIHFW-SECBINFHSA-N 1 0 391.107 2.773 20 0 GFADRO O[C@@H](C[NH2+][C@@H]1CCN(c2ccc(Cl)cc2Cl)C1)COC1CCOCC1 ZINC000568501896 564421125 /nfs/dbraw/zinc/42/11/25/564421125.db2.gz HSVKVNVPGXMQHM-CABCVRRESA-N 1 0 389.323 2.718 20 0 GFADRO O=S(=O)(C1CC1)N1CCC[C@@H]([NH2+]Cc2cc(F)ccc2Br)C1 ZINC000513116549 564421252 /nfs/dbraw/zinc/42/12/52/564421252.db2.gz HIZIBMJRZVMZEX-CYBMUJFWSA-N 1 0 391.306 2.634 20 0 GFADRO C[C@@H](C[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Br)C[C@H](C)O ZINC000568512460 564422026 /nfs/dbraw/zinc/42/20/26/564422026.db2.gz QXPUDZAFXKHRCP-NTZNESFSSA-N 1 0 380.710 2.839 20 0 GFADRO CCC[NH2+][C@@H](C)C(=O)N[C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000568508726 564422383 /nfs/dbraw/zinc/42/23/83/564422383.db2.gz MCTFREUSNNKXQG-JQWIXIFHSA-N 1 0 378.826 2.837 20 0 GFADRO COC(=O)c1cc(Cl)ccc1S(=O)(=O)NCC[NH+]1[C@H](C)CCC[C@H]1C ZINC000513155772 564423200 /nfs/dbraw/zinc/42/32/00/564423200.db2.gz PVSRGQBFVFNULA-CHWSQXEVSA-N 1 0 388.917 2.668 20 0 GFADRO C[C@H](N[C@H]1CC[N@H+](C)[C@H](C)C1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000479058400 564423967 /nfs/dbraw/zinc/42/39/67/564423967.db2.gz JLBVCYQSHVTXPN-VWYCJHECSA-N 1 0 380.341 2.774 20 0 GFADRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)NCCc1c(Cl)cccc1Cl ZINC000479071118 564424033 /nfs/dbraw/zinc/42/40/33/564424033.db2.gz NYESMXLGEKVSOI-CYBMUJFWSA-N 1 0 386.323 2.643 20 0 GFADRO CCC(CC)(NC(=O)C1C[NH+](CCSc2ccc(Cl)cc2)C1)C(N)=O ZINC000513229214 564424534 /nfs/dbraw/zinc/42/45/34/564424534.db2.gz UELPONYRGRGTLB-UHFFFAOYSA-N 1 0 383.945 2.524 20 0 GFADRO C[C@H]([NH2+]C[C@H](O)CN1C[C@@H](C)O[C@H](C)C1)c1ccc(Br)cc1F ZINC000568568007 564425278 /nfs/dbraw/zinc/42/52/78/564425278.db2.gz AULHUFNXBHYFNX-CXTNEJHOSA-N 1 0 389.309 2.709 20 0 GFADRO C[C@H](NC(=O)C(=O)NCCc1c(Cl)cccc1Cl)C(C)(C)C[NH+](C)C ZINC000479103954 564426010 /nfs/dbraw/zinc/42/60/10/564426010.db2.gz WYQKKZBBSLPXKJ-LBPRGKRZSA-N 1 0 388.339 2.745 20 0 GFADRO CS(=O)(=O)NC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(Sc2ccccn2)o1 ZINC000513526765 564431083 /nfs/dbraw/zinc/43/10/83/564431083.db2.gz VZSWPTCRNYGTBN-ZFWWWQNUSA-N 1 0 381.523 2.633 20 0 GFADRO CC(=O)c1cc(Br)ccc1OCC(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000513484632 564431465 /nfs/dbraw/zinc/43/14/65/564431465.db2.gz LTJWCMLHZAODJP-RISCZKNCSA-N 1 0 383.286 2.629 20 0 GFADRO CCn1nccc1CC[N@H+](CCNC(C)=O)Cc1ccc(Br)s1 ZINC000568728356 564432234 /nfs/dbraw/zinc/43/22/34/564432234.db2.gz SZOHERDCRUHDFJ-UHFFFAOYSA-N 1 0 399.358 2.908 20 0 GFADRO Cc1nc(CSc2ccccc2C(=O)NC[C@]2(O)CC[N@@H+](C)C2)cs1 ZINC000545881938 564435322 /nfs/dbraw/zinc/43/53/22/564435322.db2.gz CLVMRZNFNSEKTE-GOSISDBHSA-N 1 0 377.535 2.540 20 0 GFADRO C[C@@H](OC[C@@H](O)C[NH2+]CCC1CCS(=O)(=O)CC1)c1ccc(Cl)cc1 ZINC000568857624 564437935 /nfs/dbraw/zinc/43/79/35/564437935.db2.gz JOFLUGYZIFCKGK-KDOFPFPSSA-N 1 0 389.945 2.583 20 0 GFADRO CC(C)[N@H+](CCC(=O)N1CCN(C)CC1)Cc1cccc(Br)c1 ZINC000513879888 564441056 /nfs/dbraw/zinc/44/10/56/564441056.db2.gz MSZAWYCGMOFINU-UHFFFAOYSA-N 1 0 382.346 2.824 20 0 GFADRO Cc1[nH]c2ccc(Br)cc2c1CC(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000568963561 564442407 /nfs/dbraw/zinc/44/24/07/564442407.db2.gz VXZAQHFHEKWNOF-QWHCGFSZSA-N 1 0 376.298 2.849 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCN(c4ccc(Cl)c(Cl)c4)C3=O)C[C@@H]21 ZINC000453035726 564443656 /nfs/dbraw/zinc/44/36/56/564443656.db2.gz NARYBQGBJCFRBX-FFSVYQOJSA-N 1 0 382.291 2.509 20 0 GFADRO C[C@@H](CCC[NH3+])NC(=O)c1nn(-c2cccc(Br)c2)c2c1CCC2 ZINC000568999428 564444411 /nfs/dbraw/zinc/44/44/11/564444411.db2.gz JPLGGLLYSAZVTP-LBPRGKRZSA-N 1 0 391.313 2.981 20 0 GFADRO O=C1NC2(CCCC2)C(=O)N1CC[NH2+]Cc1ccc(Br)c(F)c1 ZINC000479582033 564444730 /nfs/dbraw/zinc/44/47/30/564444730.db2.gz JDKBIQCXVPSQII-UHFFFAOYSA-N 1 0 384.249 2.542 20 0 GFADRO O[C@@H](C[NH2+]Cc1cn2ccccc2n1)COc1ccc(Br)cc1 ZINC000569021531 564445294 /nfs/dbraw/zinc/44/52/94/564445294.db2.gz NGPFJKSTBMTDTI-HNNXBMFYSA-N 1 0 376.254 2.626 20 0 GFADRO C[C@@H]([C@H]1Cc2ccccc2O1)[N@H+](C)Cc1cc(Cl)cc(S(N)(=O)=O)c1 ZINC000569007420 564445554 /nfs/dbraw/zinc/44/55/54/564445554.db2.gz JKAKSRFNVGTNRH-KPZWWZAWSA-N 1 0 380.897 2.811 20 0 GFADRO CS(=O)(=O)N1CC[C@H](C[NH2+]C2(c3cccc(Br)c3)CCC2)C1 ZINC000514118443 564445852 /nfs/dbraw/zinc/44/58/52/564445852.db2.gz JBVGQRPAFLVSSB-CYBMUJFWSA-N 1 0 387.343 2.699 20 0 GFADRO C[C@H]([NH2+]CC(=O)NC(C)(C)C)c1ccc(F)c(I)c1 ZINC000453073109 564446034 /nfs/dbraw/zinc/44/60/34/564446034.db2.gz NOUUZNLQCUQGML-VIFPVBQESA-N 1 0 378.229 2.996 20 0 GFADRO CS(=O)(=O)N1CC[C@H](C[N@H+](Cc2csc(Br)c2)C2CC2)C1 ZINC000514102489 564446153 /nfs/dbraw/zinc/44/61/53/564446153.db2.gz QGNRDKDRUHCBDZ-LLVKDONJSA-N 1 0 393.372 2.757 20 0 GFADRO C[C@@H]([NH2+]CCC(=O)N(C)Cc1ccccc1Br)c1ccncn1 ZINC000453119069 564446560 /nfs/dbraw/zinc/44/65/60/564446560.db2.gz VYJLXSDZMTYIRL-CYBMUJFWSA-N 1 0 377.286 2.938 20 0 GFADRO COC(=O)[C@@H](C)C[N@H+](Cc1cc(Br)c2c(c1)OCCO2)C1CC1 ZINC000546197567 564448835 /nfs/dbraw/zinc/44/88/35/564448835.db2.gz JFJUNLYFTGQHKZ-NSHDSACASA-N 1 0 384.270 2.994 20 0 GFADRO CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2csc(C)c2)c1 ZINC000453165184 564449002 /nfs/dbraw/zinc/44/90/02/564449002.db2.gz UYLCEUKFPFYMBA-STQMWFEESA-N 1 0 381.523 2.642 20 0 GFADRO C[C@@H]([NH2+]CC1(CO)CCOCC1)c1ccc(F)c(I)c1 ZINC000453180389 564449011 /nfs/dbraw/zinc/44/90/11/564449011.db2.gz VQJVXQUYPQUYDX-LLVKDONJSA-N 1 0 393.240 2.870 20 0 GFADRO COC1([C@@H](C)[NH2+]C[C@H](CO)Cc2ccccc2Br)CCOCC1 ZINC000453200227 564449900 /nfs/dbraw/zinc/44/99/00/564449900.db2.gz AGZVQLYNBWPARA-HUUCEWRRSA-N 1 0 386.330 2.774 20 0 GFADRO CC[C@@H](Cc1ccccc1Br)N(C)C(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000479778351 564450216 /nfs/dbraw/zinc/45/02/16/564450216.db2.gz WYLGHGUILUUEIC-FUHWJXTLSA-N 1 0 394.357 2.619 20 0 GFADRO C[C@H]([NH2+]C[C@@H]1CCCCN1CCO)c1ccc(I)cc1 ZINC000453261102 564451146 /nfs/dbraw/zinc/45/11/46/564451146.db2.gz JWDOECDPYGWSFN-BBRMVZONSA-N 1 0 388.293 2.789 20 0 GFADRO CC[C@H](CNS(C)(=O)=O)[NH2+][C@@H](c1ccc(Br)cc1)C1CC1 ZINC000453272167 564451586 /nfs/dbraw/zinc/45/15/86/564451586.db2.gz AGNNERPNNMAOTG-HUUCEWRRSA-N 1 0 375.332 2.818 20 0 GFADRO CC[C@@H](CNS(C)(=O)=O)[NH2+][C@H]1CCCc2c(Br)cccc21 ZINC000453285024 564451790 /nfs/dbraw/zinc/45/17/90/564451790.db2.gz NXPDRAVBVXGTSK-NHYWBVRUSA-N 1 0 375.332 2.744 20 0 GFADRO NC(=O)[C@H]([NH2+]CC[C@@H]1COc2ccccc2O1)c1ccc(Br)cc1 ZINC000479885521 564452620 /nfs/dbraw/zinc/45/26/20/564452620.db2.gz ORFPMUQZEXWOOB-RHSMWYFYSA-N 1 0 391.265 2.795 20 0 GFADRO CC[C@](C)(C[NH2+][C@H](C)c1ccc(Br)c(S(N)(=O)=O)c1)OC ZINC000453292715 564453064 /nfs/dbraw/zinc/45/30/64/564453064.db2.gz DBSKBRMRCULAJJ-QMTHXVAHSA-N 1 0 379.320 2.562 20 0 GFADRO CC[C@@H](CNS(C)(=O)=O)[NH2+][C@@H](c1ccc(Br)s1)C1CC1 ZINC000453291480 564453070 /nfs/dbraw/zinc/45/30/70/564453070.db2.gz UOUWJPRWFDTGAH-GXFFZTMASA-N 1 0 381.361 2.879 20 0 GFADRO CCS(=O)(=O)c1ccc(C[NH2+]C[C@H](O)COc2ccc(C)cc2C)s1 ZINC000569214926 564453279 /nfs/dbraw/zinc/45/32/79/564453279.db2.gz YCEVBZGKQVSASO-HNNXBMFYSA-N 1 0 383.535 2.688 20 0 GFADRO C[C@H](Cc1cnccn1)[NH2+]C[C@H](CO)Cc1ccc(F)c(Br)c1 ZINC000453369022 564454968 /nfs/dbraw/zinc/45/49/68/564454968.db2.gz NEONOBGAPBHPAY-TZMCWYRMSA-N 1 0 382.277 2.750 20 0 GFADRO COc1ccc(Br)cc1C[C@H](CO)C[NH2+][C@@H](C)c1ccnn1C ZINC000453393971 564456078 /nfs/dbraw/zinc/45/60/78/564456078.db2.gz ZTCUJZIFRMWFCT-STQMWFEESA-N 1 0 382.302 2.693 20 0 GFADRO C[C@@H]1C[C@H]1[N@@H+]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C)C[C@@H](C)C1 ZINC000453442134 564457476 /nfs/dbraw/zinc/45/74/76/564457476.db2.gz FOCXXJODACDNKD-YWPYICTPSA-N 1 0 393.333 2.739 20 0 GFADRO Cc1cc(Br)c(C[N@@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)s1 ZINC000453560051 564457487 /nfs/dbraw/zinc/45/74/87/564457487.db2.gz GLRZBTMJOKHPDI-ZDUSSCGKSA-N 1 0 387.343 2.890 20 0 GFADRO C[C@H](CCc1ccc(I)cc1)[NH2+]C[C@]1(C)CCC(=O)N1 ZINC000453434948 564457546 /nfs/dbraw/zinc/45/75/46/564457546.db2.gz TXNUNCQDEXUBJG-WBMJQRKESA-N 1 0 386.277 2.871 20 0 GFADRO Cc1cc(Br)c(C[NH+]2CCC([C@H]3OCC[C@@H]3C(N)=O)CC2)s1 ZINC000453592875 564458841 /nfs/dbraw/zinc/45/88/41/564458841.db2.gz IJUIBYKFJXGUBS-SWLSCSKDSA-N 1 0 387.343 2.921 20 0 GFADRO CNC(=O)CCOC1CC[NH+](Cc2sc(C)cc2Br)CC1 ZINC000453585156 564458878 /nfs/dbraw/zinc/45/88/78/564458878.db2.gz XBIAGYXXBQQCMP-UHFFFAOYSA-N 1 0 375.332 2.936 20 0 GFADRO O[C@@H](C[NH2+]C1CCN(CC(F)(F)F)CC1)COCc1ccc(Cl)cc1 ZINC000569332221 564459030 /nfs/dbraw/zinc/45/90/30/564459030.db2.gz GZYYHIIBTVAXNW-INIZCTEOSA-N 1 0 380.838 2.834 20 0 GFADRO CCOc1c(Br)cc(Cl)cc1NC(=O)[C@@H]([NH3+])CCC(=O)OC ZINC000569342158 564459931 /nfs/dbraw/zinc/45/99/31/564459931.db2.gz WDLPGQURSDZEQE-JTQLQIEISA-N 1 0 393.665 2.720 20 0 GFADRO CCC[N@@H+]1CC[C@@H](CNc2ncnc3cccc(I)c32)C1 ZINC000546575910 564460492 /nfs/dbraw/zinc/46/04/92/564460492.db2.gz VDKUZYMEXAKEBE-LBPRGKRZSA-N 1 0 396.276 3.378 20 0 GFADRO C[C@H](NC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1)c1ccc([S@@](C)=O)cc1 ZINC000569376587 564460745 /nfs/dbraw/zinc/46/07/45/564460745.db2.gz AQWZGUVLCQSVIJ-PHDITVQNSA-N 1 0 380.579 2.819 20 0 GFADRO COCCC[N@H+](C)CCNC(=O)N[C@@H](C)c1ccc(Br)cc1F ZINC000515023754 564466082 /nfs/dbraw/zinc/46/60/82/564466082.db2.gz HIPKXPNORXRGKC-LBPRGKRZSA-N 1 0 390.297 2.917 20 0 GFADRO O=S1(=O)CC[C@H]([NH2+]CCN2CCCCC2)c2cc(Br)ccc21 ZINC000480257139 564466109 /nfs/dbraw/zinc/46/61/09/564466109.db2.gz YXUBIJPYBOPVPF-HNNXBMFYSA-N 1 0 387.343 2.743 20 0 GFADRO FC(F)Oc1ccc(Br)cc1C[NH2+]CCN1CCCOCC1 ZINC000569507836 564467028 /nfs/dbraw/zinc/46/70/28/564467028.db2.gz HZZFIHHDIGCTMV-UHFFFAOYSA-N 1 0 379.245 2.862 20 0 GFADRO CCN(CC)CC[NH2+][C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000480331346 564468360 /nfs/dbraw/zinc/46/83/60/564468360.db2.gz UQCJVVLOCYGFRW-AWEZNQCLSA-N 1 0 375.332 2.599 20 0 GFADRO O=C(C1CCCCC1)N1CCN(CC[NH2+]Cc2ccc(Br)o2)CC1 ZINC000480356745 564469508 /nfs/dbraw/zinc/46/95/08/564469508.db2.gz PYQGZGLJZQGKRD-UHFFFAOYSA-N 1 0 398.345 2.856 20 0 GFADRO CC(C)(C)n1cc(C[NH2+]CCCNC(=O)c2ccc(Br)cc2)nn1 ZINC000480386160 564470152 /nfs/dbraw/zinc/47/01/52/564470152.db2.gz KGLCZRSBDXXQPT-UHFFFAOYSA-N 1 0 394.317 2.705 20 0 GFADRO Cc1sc2nc(CS[C@@H](C)C(=O)NCC3([NH3+])CCC3)[nH]c(=O)c2c1C ZINC000569601214 564470671 /nfs/dbraw/zinc/47/06/71/564470671.db2.gz WFHUFKLMOSGCPX-NSHDSACASA-N 1 0 380.539 2.633 20 0 GFADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CCC[C@H]1c1ccsc1 ZINC000480445273 564474627 /nfs/dbraw/zinc/47/46/27/564474627.db2.gz OVGXMPACYMYNGD-INIZCTEOSA-N 1 0 382.555 2.649 20 0 GFADRO Cc1ccc(S(=O)(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)c(Br)c1 ZINC000515300078 564475206 /nfs/dbraw/zinc/47/52/06/564475206.db2.gz DBWYVZQCMPKIFL-JOCQHMNTSA-N 1 0 375.332 2.801 20 0 GFADRO C[C@@]1(C(=O)NCc2cc(Cl)cc(I)c2)CC[NH2+]C1 ZINC000515346984 564476111 /nfs/dbraw/zinc/47/61/11/564476111.db2.gz KJTWZDBHIRVSMA-CYBMUJFWSA-N 1 0 378.641 2.560 20 0 GFADRO Cc1c(Br)cccc1CC(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000480521827 564476978 /nfs/dbraw/zinc/47/69/78/564476978.db2.gz HUXXPVZVHGGFQB-CYBMUJFWSA-N 1 0 383.330 2.604 20 0 GFADRO O=C1NC(=O)C2(CCC([NH2+]Cc3cc4cc(Br)ccc4[nH]3)CC2)N1 ZINC000569777364 564477814 /nfs/dbraw/zinc/47/78/14/564477814.db2.gz PHBRVWSECVOGPV-UHFFFAOYSA-N 1 0 391.269 2.541 20 0 GFADRO O=S(=O)(c1cc(Cl)ccc1OC(F)F)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000569810668 564479167 /nfs/dbraw/zinc/47/91/67/564479167.db2.gz OGUYEKILHZTJQM-NWDGAFQWSA-N 1 0 394.871 2.952 20 0 GFADRO Cc1csc(Sc2ccc(NC(=O)C(=O)N(C)CCC[NH3+])c(C)c2)n1 ZINC000515482172 564480382 /nfs/dbraw/zinc/48/03/82/564480382.db2.gz RISGMJJMCBSIGD-UHFFFAOYSA-N 1 0 378.523 2.657 20 0 GFADRO C[N@@H+]1CC[C@H](Nc2ncc(I)cn2)[C@H]1c1ccccc1 ZINC000547328595 564484247 /nfs/dbraw/zinc/48/42/47/564484247.db2.gz GXRCURJSUXYRGP-UONOGXRCSA-N 1 0 380.233 2.939 20 0 GFADRO O=S(=O)(NCC[NH2+][C@@H]1CCC[C@H]([C@H]2CCOC2)C1)c1cccc(Cl)c1 ZINC000547333672 564485329 /nfs/dbraw/zinc/48/53/29/564485329.db2.gz CLMMNALITPVVAI-YQQAZPJKSA-N 1 0 386.945 2.803 20 0 GFADRO CC(C)(CNS(=O)(=O)c1ccc(Br)c(F)c1)C[NH+]1CCCC1 ZINC000480754869 564486369 /nfs/dbraw/zinc/48/63/69/564486369.db2.gz FEJGKBQOLHVXOG-UHFFFAOYSA-N 1 0 393.322 2.989 20 0 GFADRO Cn1nccc1[C@H]1C[C@@H]([NH2+]Cc2cn3ccc(Br)cc3n2)CCO1 ZINC000515769946 564486961 /nfs/dbraw/zinc/48/69/61/564486961.db2.gz OAOHDTGNOMEVTF-XJKSGUPXSA-N 1 0 390.285 2.840 20 0 GFADRO CN(CC1CC1)S(=O)(=O)Nc1cc(Cl)ccc1OC1CC[NH+](C)CC1 ZINC000570016982 564487802 /nfs/dbraw/zinc/48/78/02/564487802.db2.gz HCYJWNCPVQNNEM-UHFFFAOYSA-N 1 0 387.933 2.812 20 0 GFADRO COc1ccc(Br)c(CNC(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)c1 ZINC000515844701 564488490 /nfs/dbraw/zinc/48/84/90/564488490.db2.gz IPMSZCFRNHPHMP-HOTGVXAUSA-N 1 0 382.302 2.884 20 0 GFADRO Cc1c(Br)cccc1S(=O)(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000480825645 564489683 /nfs/dbraw/zinc/48/96/83/564489683.db2.gz GEPVUTVITGXJEF-ZFWWWQNUSA-N 1 0 387.343 2.862 20 0 GFADRO COc1cc(Cl)c(S(=O)(=O)N[C@H]2C[N@@H+](C3CC3)C[C@@H]2C)cc1Cl ZINC000480838565 564490944 /nfs/dbraw/zinc/49/09/44/564490944.db2.gz MZYJIAPIRCZTLA-ZANVPECISA-N 1 0 379.309 2.763 20 0 GFADRO C[C@H](CNC(=O)C1CCN(C(=O)c2ccc(Cl)s2)CC1)[NH+]1CCCC1 ZINC000515996490 564491134 /nfs/dbraw/zinc/49/11/34/564491134.db2.gz UAHCXLGMHOZIOY-CYBMUJFWSA-N 1 0 383.945 2.854 20 0 GFADRO Cc1cc(S(=O)(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)c(F)cc1Br ZINC000516063181 564491999 /nfs/dbraw/zinc/49/19/99/564491999.db2.gz PFZRMMGMNBETBX-MNOVXSKESA-N 1 0 379.295 2.645 20 0 GFADRO O=C(Cc1cccc(I)c1)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000516058469 564492158 /nfs/dbraw/zinc/49/21/58/564492158.db2.gz BQVNASWVNSFLLE-CABCVRRESA-N 1 0 398.288 2.682 20 0 GFADRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)CNC(=O)c1ccc(Cl)cc1Cl ZINC000516187471 564495890 /nfs/dbraw/zinc/49/58/90/564495890.db2.gz OUNZPSWMSJQJFW-STQMWFEESA-N 1 0 386.323 2.960 20 0 GFADRO C[C@@H](C[NH+](C)C)NC(=O)Nc1ccnn1Cc1cccc(Br)c1 ZINC000480933742 564496710 /nfs/dbraw/zinc/49/67/10/564496710.db2.gz AQMHTEWOMRWAAD-LBPRGKRZSA-N 1 0 380.290 2.766 20 0 GFADRO COc1c(Cl)cc(NC(=O)C(=O)NCCCC[N@H+](C)C2CC2)cc1Cl ZINC000454098868 564497738 /nfs/dbraw/zinc/49/77/38/564497738.db2.gz IPRQMBPCANPXSM-UHFFFAOYSA-N 1 0 388.295 2.931 20 0 GFADRO CC[NH+]1C[C@H](C)N(C(=O)Cc2cc3c(cc2Br)OCCO3)[C@@H](C)C1 ZINC000570244605 564498418 /nfs/dbraw/zinc/49/84/18/564498418.db2.gz QBYHCNRFNSULIO-STQMWFEESA-N 1 0 397.313 2.704 20 0 GFADRO Cc1cc(NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C(C)C)C2)ccc1Br ZINC000454118255 564499803 /nfs/dbraw/zinc/49/98/03/564499803.db2.gz YOORBCHBEYAIIM-CQSZACIVSA-N 1 0 382.302 2.637 20 0 GFADRO O=C(Cn1cc(Br)cn1)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000516385026 564501005 /nfs/dbraw/zinc/50/10/05/564501005.db2.gz RUTJKHYYIFUFRX-UHFFFAOYSA-N 1 0 377.286 2.558 20 0 GFADRO COc1cc(Cl)c(S(=O)(=O)NCC2([NH+](C)C)CCCCC2)cc1OC ZINC000516390004 564501367 /nfs/dbraw/zinc/50/13/67/564501367.db2.gz ORWDIYCFMZHUIZ-UHFFFAOYSA-N 1 0 390.933 2.900 20 0 GFADRO Cc1cc(F)c(Br)cc1S(=O)(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000481064207 564502472 /nfs/dbraw/zinc/50/24/72/564502472.db2.gz ZFQYPHXILOMBIG-NSHDSACASA-N 1 0 393.322 2.907 20 0 GFADRO CC(C)(C)N1CC[C@@H]([NH2+]Cc2cc(Br)c3c(c2)OCCO3)C1=O ZINC000516562478 564505102 /nfs/dbraw/zinc/50/51/02/564505102.db2.gz UBEWPCKPVILRKX-CYBMUJFWSA-N 1 0 383.286 2.709 20 0 GFADRO O=C(CSCc1ccc(Cl)cc1Cl)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000570448944 564506227 /nfs/dbraw/zinc/50/62/27/564506227.db2.gz ZNHKSAPUEGVQJM-OAHLLOKOSA-N 1 0 388.364 2.733 20 0 GFADRO C[C@@H]1CN(C[C@H](O)C[NH2+][C@H]2C[C@H](c3ccc(Br)cc3)C2)C[C@@H](C)O1 ZINC000516762714 564511962 /nfs/dbraw/zinc/51/19/62/564511962.db2.gz KZZJVDAGBLXMPM-HSANBRHQSA-N 1 0 397.357 2.755 20 0 GFADRO Cc1sc(NC(=O)c2cn(CCC[NH3+])nn2)nc1-c1cccc(Cl)c1 ZINC000570562362 564512083 /nfs/dbraw/zinc/51/20/83/564512083.db2.gz BLHJVIZMMAOJOX-UHFFFAOYSA-N 1 0 376.873 2.965 20 0 GFADRO OC[C@@H]([NH2+]CCOc1ccc(Cl)cc1Br)C1CCOCC1 ZINC000570595839 564513831 /nfs/dbraw/zinc/51/38/31/564513831.db2.gz WRZVPWYXUMLFJJ-CQSZACIVSA-N 1 0 378.694 2.858 20 0 GFADRO C[C@H](C[NH+]1CCC(C)CC1)NS(=O)(=O)c1cc(F)ccc1OC(F)F ZINC000516878873 564515198 /nfs/dbraw/zinc/51/51/98/564515198.db2.gz YTFGFLIMLWTRSQ-GFCCVEGCSA-N 1 0 380.432 2.826 20 0 GFADRO Cc1ccc(Cl)c(OC[C@@H](O)C[NH2+]Cc2ccc(S(C)(=O)=O)cc2)c1 ZINC000570675426 564515876 /nfs/dbraw/zinc/51/58/76/564515876.db2.gz LVHBFGVPPCIRTE-HNNXBMFYSA-N 1 0 383.897 2.581 20 0 GFADRO CCCN(CC1CC1)S(=O)(=O)NC[C@H](c1ccc(SC)cc1)[NH+](C)C ZINC000570691433 564517407 /nfs/dbraw/zinc/51/74/07/564517407.db2.gz PUFLPDQNLXINQK-GOSISDBHSA-N 1 0 385.599 2.968 20 0 GFADRO C[N@H+](CCCCNC(=O)NCCOc1ncc(Cl)cc1Cl)C1CC1 ZINC000454672861 564518793 /nfs/dbraw/zinc/51/87/93/564518793.db2.gz CNBSCERDNJNZQJ-UHFFFAOYSA-N 1 0 375.300 2.941 20 0 GFADRO CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000481730551 564520697 /nfs/dbraw/zinc/52/06/97/564520697.db2.gz ANMQMLHKTCOHNK-OTYXRUKQSA-N 1 0 386.265 2.863 20 0 GFADRO C[C@@H]1CC[S@@](=O)CCN1C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000570887402 564526314 /nfs/dbraw/zinc/52/63/14/564526314.db2.gz XCQSKAGBQLCLNK-SGANQWHYSA-N 1 0 383.583 2.513 20 0 GFADRO O=S(=O)(CCC[NH2+]C[C@@H](O)Cc1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000517231318 564528245 /nfs/dbraw/zinc/52/82/45/564528245.db2.gz ZXEKMCDAPHIILH-KRWDZBQOSA-N 1 0 385.888 2.836 20 0 GFADRO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)Nc1cc(Br)c(=O)n(C)c1 ZINC000454965967 564530414 /nfs/dbraw/zinc/53/04/14/564530414.db2.gz QIQZNEOGPSZBRZ-ZDUSSCGKSA-N 1 0 399.333 2.780 20 0 GFADRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CNC(=O)c2ccc(Cl)cc2Cl)C1 ZINC000548106086 564531253 /nfs/dbraw/zinc/53/12/53/564531253.db2.gz WKUKNNWHSRKUDO-BLLLJJGKSA-N 1 0 384.307 2.666 20 0 GFADRO C[C@@H]1c2cccc(Br)c2CCN1C(=O)NCC[N@@H+]1CCCOCC1 ZINC000455007155 564531795 /nfs/dbraw/zinc/53/17/95/564531795.db2.gz XPTABDHPFNPZGH-CQSZACIVSA-N 1 0 396.329 2.800 20 0 GFADRO O=C(NC[C@H]1CCCC[N@H+]1CCO)Nc1cc(F)c(Br)cc1F ZINC000455030388 564532703 /nfs/dbraw/zinc/53/27/03/564532703.db2.gz JUDMLTTYIQEBBY-SNVBAGLBSA-N 1 0 392.244 2.696 20 0 GFADRO CCCN(C(=O)NCc1cc(Br)c2c(c1)OCCO2)[C@@H]1CC[NH2+]C1 ZINC000571059420 564534635 /nfs/dbraw/zinc/53/46/35/564534635.db2.gz FQPAWSMAAQRRMR-CYBMUJFWSA-N 1 0 398.301 2.504 20 0 GFADRO CN(C(=O)Nc1ccc(Cl)c(S(C)(=O)=O)c1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000482206983 564537982 /nfs/dbraw/zinc/53/79/82/564537982.db2.gz GQXQKYRQWGGNDZ-PBWFPOADSA-N 1 0 385.917 2.832 20 0 GFADRO O=C(NCC[C@H]1CCC[NH2+]C1)N[C@@H]1CCN(c2ccccc2Br)C1 ZINC000517719266 564540135 /nfs/dbraw/zinc/54/01/35/564540135.db2.gz JLUDQYIPNHACTH-HUUCEWRRSA-N 1 0 395.345 2.717 20 0 GFADRO CO[C@H](CS(=O)(=O)Nc1ccc(CN(C)C)c(Br)c1)C1CC1 ZINC000571208706 564540733 /nfs/dbraw/zinc/54/07/33/564540733.db2.gz FYOOFBNWPVKALO-OAHLLOKOSA-N 1 0 391.331 2.677 20 0 GFADRO C[C@H]1COCCN1CCNC(=O)NCc1ccc(Br)cc1Cl ZINC000517887495 564543191 /nfs/dbraw/zinc/54/31/91/564543191.db2.gz CGZVDPXFUHNSSC-NSHDSACASA-N 1 0 390.709 2.622 20 0 GFADRO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CC1(N2CCOCC2)CC1 ZINC000571270469 564543532 /nfs/dbraw/zinc/54/35/32/564543532.db2.gz CTRIHRNDUJHFOW-CQSZACIVSA-N 1 0 396.329 2.621 20 0 GFADRO [NH3+]CC[C@@H]1CCCCN1C(=O)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000571277331 564543754 /nfs/dbraw/zinc/54/37/54/564543754.db2.gz RMVTYOHHZCWRHU-HIFRSBDPSA-N 1 0 394.313 2.532 20 0 GFADRO O=C(CC[N@@H+]1C[C@H](O)C[C@H]1[C@H]1CCCOC1)Nc1cccc(Br)c1 ZINC000571274439 564543789 /nfs/dbraw/zinc/54/37/89/564543789.db2.gz JLOOWBQTIBXXHW-XKQJLSEDSA-N 1 0 397.313 2.640 20 0 GFADRO CC[N@@H+]1C[C@H](C)N(C(=O)NCc2nc(C)c(Br)s2)C[C@@H]1C ZINC000455227624 564544040 /nfs/dbraw/zinc/54/40/40/564544040.db2.gz IMDMXQDMPULGIK-UWVGGRQHSA-N 1 0 375.336 2.838 20 0 GFADRO C[C@H](NC(=O)C[N@@H+]1CC[C@H](C)C1)c1cc2c(cc1Br)OCCO2 ZINC000517959751 564544157 /nfs/dbraw/zinc/54/41/57/564544157.db2.gz LGNZBCJJHKHZAH-RYUDHWBXSA-N 1 0 383.286 2.739 20 0 GFADRO O=C(Nc1nc(C2CC[NH2+]CC2)cs1)[C@@H]1CCCN(CC(F)(F)F)C1 ZINC000571313334 564545322 /nfs/dbraw/zinc/54/53/22/564545322.db2.gz SDXBFPQURHUKSM-GFCCVEGCSA-N 1 0 376.448 2.823 20 0 GFADRO COc1cc(Cl)c(Cl)cc1NC(=O)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000455256181 564545876 /nfs/dbraw/zinc/54/58/76/564545876.db2.gz GRNMBFZXMYRPFA-LLVKDONJSA-N 1 0 376.284 2.970 20 0 GFADRO CO[C@@H]1CCN(C(=O)c2cc3c(cc(Br)cc3F)[nH]2)[C@@H](C[NH3+])C1 ZINC000571341710 564547661 /nfs/dbraw/zinc/54/76/61/564547661.db2.gz VIQSNYKZXQRHMA-GHMZBOCLSA-N 1 0 384.249 2.648 20 0 GFADRO O=C(Nc1ccc(Br)cc1F)C(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000571415098 564550446 /nfs/dbraw/zinc/55/04/46/564550446.db2.gz GFUIPFSKWUQSJS-UHFFFAOYSA-N 1 0 398.276 2.519 20 0 GFADRO O=C(c1ccc(I)cn1)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000455373136 564551063 /nfs/dbraw/zinc/55/10/63/564551063.db2.gz AGHKLCMZYXBYQC-AWEZNQCLSA-N 1 0 399.276 2.777 20 0 GFADRO CC[C@H]([NH2+]CCS(=O)(=O)c1cccc(Br)c1)[C@@H](O)C(C)C ZINC000571445288 564552064 /nfs/dbraw/zinc/55/20/64/564552064.db2.gz JYHDRJWPYZJEJU-GJZGRUSLSA-N 1 0 378.332 2.608 20 0 GFADRO CC[NH+]1CCC(CCNC(=O)CNC(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000548431900 564552143 /nfs/dbraw/zinc/55/21/43/564552143.db2.gz HZCAXMARIRXRHA-UHFFFAOYSA-N 1 0 386.323 2.961 20 0 GFADRO COc1c(Br)cccc1C[NH2+][C@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000548477298 564553932 /nfs/dbraw/zinc/55/39/32/564553932.db2.gz LPXDXMGOYUTUIL-STQMWFEESA-N 1 0 376.316 2.903 20 0 GFADRO C[C@@H]1COCCN1CC[NH2+]Cc1nc(-c2cccc(Br)c2)c[nH]1 ZINC000518452860 564553964 /nfs/dbraw/zinc/55/39/64/564553964.db2.gz SRFUWKVFIZIZKQ-CYBMUJFWSA-N 1 0 379.302 2.650 20 0 GFADRO CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+]C[C@@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000571552190 564556580 /nfs/dbraw/zinc/55/65/80/564556580.db2.gz QDBOMILBRTVKQK-YNEHKIRRSA-N 1 0 396.336 2.679 20 0 GFADRO C[C@H]1CC[NH2+]C[C@H]1NS(=O)(=O)Cc1ccc(Cl)cc1Br ZINC000571561659 564557100 /nfs/dbraw/zinc/55/71/00/564557100.db2.gz SVTPKIBJNGEJRX-TVQRCGJNSA-N 1 0 381.723 2.520 20 0 GFADRO C[N@H+](CCCCNC(=O)NCc1cc2c(c(Br)c1)OCO2)C1CC1 ZINC000455600503 564558473 /nfs/dbraw/zinc/55/84/73/564558473.db2.gz BREAENHCUAMSAA-UHFFFAOYSA-N 1 0 398.301 2.851 20 0 GFADRO C[C@H](CC[NH+](C)C)NC(=O)Nc1ccn(-c2ccc(Br)cc2)n1 ZINC000455609911 564559445 /nfs/dbraw/zinc/55/94/45/564559445.db2.gz DILYQIRZKROPCH-GFCCVEGCSA-N 1 0 380.290 3.097 20 0 GFADRO C[C@H]1CC[NH2+]C[C@H]1NS(=O)(=O)c1ccc2ccccc2c1Br ZINC000571682098 564561417 /nfs/dbraw/zinc/56/14/17/564561417.db2.gz TUIZMAPFOZZHKR-SMDDNHRTSA-N 1 0 383.311 2.879 20 0 GFADRO C[C@@H](Oc1ccc(F)cc1Br)C(=O)NCCNc1ccccn1 ZINC000518763197 564561787 /nfs/dbraw/zinc/56/17/87/564561787.db2.gz XOPXVMBIRQACBG-LLVKDONJSA-N 1 0 382.233 2.979 20 0 GFADRO CC1(C)CN(Cc2cc(=O)n3cc(Br)ccc3n2)[C@H]1[C@H]1CCCO1 ZINC000571725770 564563536 /nfs/dbraw/zinc/56/35/36/564563536.db2.gz VFVSYZDBLQUCJK-PBHICJAKSA-N 1 0 392.297 2.846 20 0 GFADRO CC[NH+]1C[C@@H](C)N(C(=O)Cc2cccc(I)c2)[C@H](C)C1 ZINC000518829012 564563929 /nfs/dbraw/zinc/56/39/29/564563929.db2.gz VSNLMRRCUVTWJZ-CHWSQXEVSA-N 1 0 386.277 2.775 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(I)cn2)C[C@H]1C ZINC000455728750 564566192 /nfs/dbraw/zinc/56/61/92/564566192.db2.gz BFTBIWRFOIADFQ-DGCLKSJQSA-N 1 0 387.265 2.631 20 0 GFADRO CC[NH2+]CCCNC(=O)NCc1cc(Cl)cc(I)c1 ZINC000571789805 564566214 /nfs/dbraw/zinc/56/62/14/564566214.db2.gz PAYNOOSVLRBUNO-UHFFFAOYSA-N 1 0 395.672 2.743 20 0 GFADRO CS[C@@H]1CN(C(=O)[C@H](c2cccc(Cl)c2)N(C)C)C[C@H]1[NH+]1CCCC1 ZINC000483407848 564566992 /nfs/dbraw/zinc/56/69/92/564566992.db2.gz RYYXWFMPMNYMGJ-KURKYZTESA-N 1 0 381.973 2.981 20 0 GFADRO Cc1[nH]c(=O)c(C(=O)N2CC[N@@H+]([C@@H]3C[C@H]3C)C[C@H](C)C2)cc1Br ZINC000519014844 564567343 /nfs/dbraw/zinc/56/73/43/564567343.db2.gz QENVVYBZRPTLIG-FIXISWKDSA-N 1 0 382.302 2.660 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000571796607 564567557 /nfs/dbraw/zinc/56/75/57/564567557.db2.gz FVDNYKLPPZBOLD-TXEJJXNPSA-N 1 0 377.286 2.766 20 0 GFADRO COc1ccc(Br)c(C(=O)NCCC[NH2+]CC[C@@H]2CCOC2)c1 ZINC000483438283 564568151 /nfs/dbraw/zinc/56/81/51/564568151.db2.gz LXRKYHDDUVJOBK-CYBMUJFWSA-N 1 0 385.302 2.594 20 0 GFADRO O=C(CNC(=O)c1cc(Cl)c(F)cc1Cl)NCC[NH+]1CCCCCC1 ZINC000519127051 564570577 /nfs/dbraw/zinc/57/05/77/564570577.db2.gz INTZHPGMMXMFBI-UHFFFAOYSA-N 1 0 390.286 2.855 20 0 GFADRO Cc1ncc(Br)cc1NC(=O)NC(C)(C)CC[NH+]1CCN(C)CC1 ZINC000455803396 564571476 /nfs/dbraw/zinc/57/14/76/564571476.db2.gz OJGNBHNABNHJRN-UHFFFAOYSA-N 1 0 398.349 2.690 20 0 GFADRO COCC[N@@H+]1CC[C@H](N[C@H](C)c2nc(-c3ccc(Br)cc3)no2)C1 ZINC000483654619 564571901 /nfs/dbraw/zinc/57/19/01/564571901.db2.gz OGKICUDLSHTOQJ-DOMZBBRYSA-N 1 0 395.301 2.870 20 0 GFADRO COC(=O)c1cc(NC(=O)NCCC[NH+]2CCCC2)ccc1Br ZINC000548737975 564572067 /nfs/dbraw/zinc/57/20/67/564572067.db2.gz NJAJRQGTBSVFTH-UHFFFAOYSA-N 1 0 384.274 2.843 20 0 GFADRO C[C@@H]([NH3+])[C@H](C)NS(=O)(=O)c1csc(-c2ccc(Br)cc2)n1 ZINC000571921016 564572387 /nfs/dbraw/zinc/57/23/87/564572387.db2.gz VPRPRIWKPLUGEB-BDAKNGLRSA-N 1 0 390.328 2.587 20 0 GFADRO CO[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1ccc(I)cc1 ZINC000483691042 564573076 /nfs/dbraw/zinc/57/30/76/564573076.db2.gz IDTOLUUQBHWANP-UONOGXRCSA-N 1 0 388.249 2.777 20 0 GFADRO CO[C@@H]1CCCC[C@@H]1[NH2+]CCS(=O)(=O)c1ccc(Br)cc1 ZINC000483732348 564573712 /nfs/dbraw/zinc/57/37/12/564573712.db2.gz USARYWRHEIEQJF-LSDHHAIUSA-N 1 0 376.316 2.770 20 0 GFADRO CC(C)[C@@H](C(=O)N1CCN(Cc2ccc(Br)cc2)CC1)[NH+](C)C ZINC000483835089 564575270 /nfs/dbraw/zinc/57/52/70/564575270.db2.gz BWRXELDLEFYHEQ-KRWDZBQOSA-N 1 0 382.346 2.680 20 0 GFADRO O=S(=O)(c1cc(Br)ccc1F)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000519374181 564575992 /nfs/dbraw/zinc/57/59/92/564575992.db2.gz LXOWZIJFTZDSJS-ZDUSSCGKSA-N 1 0 391.306 2.837 20 0 GFADRO COC1CC[NH+](C(C)(C)CNC(=O)COc2cccc(Br)c2)CC1 ZINC000519369273 564576221 /nfs/dbraw/zinc/57/62/21/564576221.db2.gz FZYKZZLHFKDXJJ-UHFFFAOYSA-N 1 0 399.329 2.834 20 0 GFADRO COC[C@H](C)OC[C@H](O)C[NH2+][C@@H](C)Cc1cc(Br)ccc1F ZINC000571994160 564576306 /nfs/dbraw/zinc/57/63/06/564576306.db2.gz KXGYQORZGFNSSO-SLEUVZQESA-N 1 0 378.282 2.521 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)N[C@@H]1CCOc2c(Br)cccc21 ZINC000548822839 564576730 /nfs/dbraw/zinc/57/67/30/564576730.db2.gz AQESGRZMSNALAJ-IAQYHMDHSA-N 1 0 380.286 2.809 20 0 GFADRO CN(C)c1cc(NC(=O)NC2CC[NH+](C3CC3)CC2)ncc1Br ZINC000455864702 564576867 /nfs/dbraw/zinc/57/68/67/564576867.db2.gz LBOLEVUDRZBWCC-UHFFFAOYSA-N 1 0 382.306 2.658 20 0 GFADRO O=C(NCc1cnc(-c2ccc(Cl)cc2)s1)NC[C@H]1C[NH2+]CCCO1 ZINC000572015469 564577473 /nfs/dbraw/zinc/57/74/73/564577473.db2.gz MNPHYNYKXCAIFS-CQSZACIVSA-N 1 0 380.901 2.641 20 0 GFADRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1S(=O)(=O)c1ccc(OC(F)(F)F)cc1 ZINC000572027035 564578110 /nfs/dbraw/zinc/57/81/10/564578110.db2.gz ONGSZUVFGVBTDN-SWLSCSKDSA-N 1 0 378.416 2.833 20 0 GFADRO Cc1nc2cc(Cl)c(NC(=O)C(=O)N[C@H]3CC[N@@H+](C4CC4)C3)cc2s1 ZINC000483929377 564578224 /nfs/dbraw/zinc/57/82/24/564578224.db2.gz VNHNVQWJMAFUAD-JTQLQIEISA-N 1 0 378.885 2.550 20 0 GFADRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1S(=O)(=O)c1ccc(OC(F)(F)F)cc1 ZINC000572027036 564578393 /nfs/dbraw/zinc/57/83/93/564578393.db2.gz ONGSZUVFGVBTDN-WFASDCNBSA-N 1 0 378.416 2.833 20 0 GFADRO CCC[N@H+](CC)C[C@H](C)NC(=O)C(=O)Nc1ccc(Br)cc1C ZINC000572054306 564578975 /nfs/dbraw/zinc/57/89/75/564578975.db2.gz QPEKXMJSBRTFAS-ZDUSSCGKSA-N 1 0 384.318 2.933 20 0 GFADRO Cc1c(Cl)cc(NC(=O)C(=O)NC[C@]2([NH+](C)C)CCSC2)cc1Cl ZINC000483963884 564579115 /nfs/dbraw/zinc/57/91/15/564579115.db2.gz UBWMKYZBOPMMGK-MRXNPFEDSA-N 1 0 390.336 2.794 20 0 GFADRO O=C(COc1ccccc1)N1CC[C@@H]([NH2+]Cc2ccc(Br)cn2)C1 ZINC000548873161 564579539 /nfs/dbraw/zinc/57/95/39/564579539.db2.gz FEWXHRISGPOWAC-MRXNPFEDSA-N 1 0 390.281 2.614 20 0 GFADRO COC(=O)[C@@H](c1ccc(Cl)c(Cl)c1)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000483990133 564579895 /nfs/dbraw/zinc/57/98/95/564579895.db2.gz WNRZQQFLKLXBTA-BLLLJJGKSA-N 1 0 389.323 2.985 20 0 GFADRO [NH3+][C@H]1CCC[C@H](CNC(=O)c2ccn(-c3cccc(Br)c3)n2)C1 ZINC000519536294 564580024 /nfs/dbraw/zinc/58/00/24/564580024.db2.gz CTEACAIXBPMWHD-JSGCOSHPSA-N 1 0 377.286 2.882 20 0 GFADRO CCOCC(C)(C)C[NH2+]CCS(=O)(=O)c1cccc(Br)c1 ZINC000572236517 564585771 /nfs/dbraw/zinc/58/57/71/564585771.db2.gz KHIXUSAJGYBHNO-UHFFFAOYSA-N 1 0 378.332 2.875 20 0 GFADRO O=S(=O)(NCC[NH2+]Cc1ccc(C(F)F)cc1)c1ccc(F)cc1F ZINC000519682451 564586765 /nfs/dbraw/zinc/58/67/65/564586765.db2.gz OLSOABKTVGVFPF-UHFFFAOYSA-N 1 0 376.375 2.971 20 0 GFADRO Cc1nccn1C[C@@H](C)C[NH2+]C[C@@H](O)COc1ccc(Br)cc1 ZINC000572274735 564587903 /nfs/dbraw/zinc/58/79/03/564587903.db2.gz LYNOJJDUEZNLJX-XJKSGUPXSA-N 1 0 382.302 2.620 20 0 GFADRO [NH3+]CC1(CC(=O)N[C@@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)CC1 ZINC000572282750 564587972 /nfs/dbraw/zinc/58/79/72/564587972.db2.gz LYCFUVSNMKFDHL-LLVKDONJSA-N 1 0 376.810 2.578 20 0 GFADRO C[C@H](Oc1cccc(Cl)c1Cl)C(=O)NCCC[N@H+](C)CCN(C)C ZINC000572296646 564588499 /nfs/dbraw/zinc/58/84/99/564588499.db2.gz NCLXTSNKZWTLLJ-ZDUSSCGKSA-N 1 0 376.328 2.760 20 0 GFADRO CCO[C@H]1COCC[C@@H]1[NH2+]CC(=O)Nc1ccc(Br)cc1Cl ZINC000484642034 564593661 /nfs/dbraw/zinc/59/36/61/564593661.db2.gz RDLNBHMROVFKMK-KBPBESRZSA-N 1 0 391.693 2.825 20 0 GFADRO C[C@H](CC(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1)c1ccc(Br)cc1 ZINC000456205315 564594269 /nfs/dbraw/zinc/59/42/69/564594269.db2.gz BPERCSNZEZIJPY-KFWWJZLASA-N 1 0 383.330 2.856 20 0 GFADRO CN(Cc1c(F)cccc1Cl)S(=O)(=O)N1CCCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000572468301 564596291 /nfs/dbraw/zinc/59/62/91/564596291.db2.gz LBRXZCGWDDFDMF-SJORKVTESA-N 1 0 389.924 2.762 20 0 GFADRO O=S(=O)(Cc1ccc(Cl)cc1Br)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000572521237 564598732 /nfs/dbraw/zinc/59/87/32/564598732.db2.gz AHLHZGKQLVSKSY-ZDUSSCGKSA-N 1 0 393.734 2.759 20 0 GFADRO COc1cc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc(Br)c1OC ZINC000456331196 564600672 /nfs/dbraw/zinc/60/06/72/564600672.db2.gz OCZMYVUNFPFXCX-YHWZYXNKSA-N 1 0 383.286 2.821 20 0 GFADRO C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000456320369 564600859 /nfs/dbraw/zinc/60/08/59/564600859.db2.gz NAFJTULLSKTIKG-ODWCKFRGSA-N 1 0 384.307 2.853 20 0 GFADRO Cc1c(Br)ccc(C(=O)NCCCC[NH+]2CCN(C)CC2)c1F ZINC000520301704 564600991 /nfs/dbraw/zinc/60/09/91/564600991.db2.gz TWVGCMZDTSHEOR-UHFFFAOYSA-N 1 0 386.309 2.654 20 0 GFADRO C[C@H](NS(=O)(=O)c1cccc2nsnc21)[C@H](c1ccccc1)[NH+](C)C ZINC000520328550 564601499 /nfs/dbraw/zinc/60/14/99/564601499.db2.gz GBELCEBEOIGTLE-YVEFUNNKSA-N 1 0 376.507 2.661 20 0 GFADRO C[C@@H]1C[N@H+](C)CCN1c1ccc(Br)cc1NC(=O)c1cnccn1 ZINC000456362608 564602832 /nfs/dbraw/zinc/60/28/32/564602832.db2.gz DLTGNHXTSVKLAD-GFCCVEGCSA-N 1 0 390.285 2.632 20 0 GFADRO C[N@@H+](Cc1ccc(F)cc1Br)C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000485023024 564604986 /nfs/dbraw/zinc/60/49/86/564604986.db2.gz IGOFHDZWSUOVPK-GFCCVEGCSA-N 1 0 393.322 2.692 20 0 GFADRO CCOCCC[N@@H+]1CC[C@H](NS(=O)(=O)c2cc(F)cc(Cl)c2)[C@@H](C)C1 ZINC000549815457 564606569 /nfs/dbraw/zinc/60/65/69/564606569.db2.gz QVKMMOODDMFNKM-GUYCJALGSA-N 1 0 392.924 2.894 20 0 GFADRO O=S(=O)(NCCC[NH2+]Cc1cccnc1)c1ccc(C(F)(F)F)s1 ZINC000572726007 564606952 /nfs/dbraw/zinc/60/69/52/564606952.db2.gz DZFDAWDJPPPOBH-UHFFFAOYSA-N 1 0 379.429 2.620 20 0 GFADRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)C(=O)NCc2ccc(Cl)cc2Cl)C1 ZINC000549913115 564608947 /nfs/dbraw/zinc/60/89/47/564608947.db2.gz WNJJLBXTMJXLFH-CJNGLKHVSA-N 1 0 384.307 2.552 20 0 GFADRO O=C(NCc1ccc(Cl)cc1Cl)C(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000520619337 564609443 /nfs/dbraw/zinc/60/94/43/564609443.db2.gz UDWBISSNKYEOEH-OAHLLOKOSA-N 1 0 384.307 2.743 20 0 GFADRO CC(C)[NH+](CCNC(=O)C(=O)N(C)Cc1cccc(Br)c1)C(C)C ZINC000549965292 564611695 /nfs/dbraw/zinc/61/16/95/564611695.db2.gz NBRQTLVQUXPFRQ-UHFFFAOYSA-N 1 0 398.345 2.643 20 0 GFADRO COCCN(CC[NH+](C)C)C(=O)N[C@@H]1C[C@@H]1c1cccc(Br)c1 ZINC000520781582 564613020 /nfs/dbraw/zinc/61/30/20/564613020.db2.gz SYANRCSDRSKTPK-HZPDHXFCSA-N 1 0 384.318 2.525 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(=O)NCCSc2ccc(Cl)cc2)C1 ZINC000550098363 564614531 /nfs/dbraw/zinc/61/45/31/564614531.db2.gz RPQPUMNVPBDCKF-HUUCEWRRSA-N 1 0 383.945 2.537 20 0 GFADRO OC[C@@]1([C@H]([NH2+]Cc2cc3c(cc2Br)OCCO3)C2CC2)CCCO1 ZINC000550140683 564615276 /nfs/dbraw/zinc/61/52/76/564615276.db2.gz JQWLMYFILTZAQP-QZTJIDSGSA-N 1 0 398.297 2.630 20 0 GFADRO CN(C)S(=O)(=O)N1CCC[C@@H]([NH2+]Cc2cc(-c3ccccc3)cs2)C1 ZINC000572916010 564615343 /nfs/dbraw/zinc/61/53/43/564615343.db2.gz MRYLGLFARIDHQW-QGZVFWFLSA-N 1 0 379.551 2.776 20 0 GFADRO CCS(=O)(=O)c1ccccc1C(=O)Nc1nc(C2CC[NH2+]CC2)cs1 ZINC000572951710 564616255 /nfs/dbraw/zinc/61/62/55/564616255.db2.gz UMBGVYVCCMBKCS-UHFFFAOYSA-N 1 0 379.507 2.656 20 0 GFADRO CN1C[C@H]([NH2+]Cc2cc(Br)ccc2OCc2ccccn2)CC1=O ZINC000520974276 564616434 /nfs/dbraw/zinc/61/64/34/564616434.db2.gz ZMVMNNCEESGXAS-MRXNPFEDSA-N 1 0 390.281 2.743 20 0 GFADRO CC(C)[N@@H+]1CC[C@H](CNC(=O)Nc2cc(N(C)C)c(Br)cn2)C1 ZINC000572955701 564617345 /nfs/dbraw/zinc/61/73/45/564617345.db2.gz NZVRUSKGFQLRKM-GFCCVEGCSA-N 1 0 384.322 2.762 20 0 GFADRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)NCc1ccc(Cl)cc1Cl ZINC000550295299 564619999 /nfs/dbraw/zinc/61/99/99/564619999.db2.gz QIKNFVAKBOXARH-STQMWFEESA-N 1 0 386.323 2.846 20 0 GFADRO COCC[C@@]1([NH2+]CC(=O)N[C@H](C)c2ccc(Cl)c(Cl)c2)CCOC1 ZINC000573057076 564620481 /nfs/dbraw/zinc/62/04/81/564620481.db2.gz JXWNTLCDTZBYST-SJKOYZFVSA-N 1 0 375.296 2.956 20 0 GFADRO O=S(=O)(c1cccc(Br)c1F)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000521218744 564621618 /nfs/dbraw/zinc/62/16/18/564621618.db2.gz WIWOAXUKVFYSBE-QWHCGFSZSA-N 1 0 391.306 2.883 20 0 GFADRO COC(=O)c1cc(C[NH2+][C@H]2CCN(c3cccc(Br)c3)C2)cn1C ZINC000573140247 564624420 /nfs/dbraw/zinc/62/44/20/564624420.db2.gz GTVOZCPYCGMUPV-HNNXBMFYSA-N 1 0 392.297 2.943 20 0 GFADRO COc1ccc(Br)cc1C(=O)N[C@@H]1CCCC[C@H]1N1CCOCC1 ZINC000573178533 564626684 /nfs/dbraw/zinc/62/66/84/564626684.db2.gz NAYDLZHFQAJNMN-HZPDHXFCSA-N 1 0 397.313 2.831 20 0 GFADRO CC[C@@H]([NH2+]CCc1cn(CC(=O)OC)nn1)c1cc(F)cc(Br)c1 ZINC000485854758 564628199 /nfs/dbraw/zinc/62/81/99/564628199.db2.gz XTFJCSNGZWQEOG-OAHLLOKOSA-N 1 0 399.264 2.636 20 0 GFADRO CC[C@H]([NH2+]CCc1cn(CC(=O)OC)nn1)c1cc(F)cc(Br)c1 ZINC000485854757 564628372 /nfs/dbraw/zinc/62/83/72/564628372.db2.gz XTFJCSNGZWQEOG-HNNXBMFYSA-N 1 0 399.264 2.636 20 0 GFADRO O=C(C[NH2+][C@H](CO)C1CCOCC1)Nc1cc(Cl)c(Cl)cc1Cl ZINC000573237176 564629184 /nfs/dbraw/zinc/62/91/84/564629184.db2.gz APVLJPNDHIHJGY-CQSZACIVSA-N 1 0 381.687 2.962 20 0 GFADRO O=C([C@@H]1CC[N@@H+](Cc2cc(Br)cc3c2OCC3)C1)N1CCCC1 ZINC000573249247 564630430 /nfs/dbraw/zinc/63/04/30/564630430.db2.gz BJYKHXHIXGWCBL-CQSZACIVSA-N 1 0 379.298 2.828 20 0 GFADRO O[C@H](C[NH2+]CCCCn1cc(Br)cn1)COc1ccc(F)cc1 ZINC000521614285 564631448 /nfs/dbraw/zinc/63/14/48/564631448.db2.gz GGNYEETWYNFWTB-OAHLLOKOSA-N 1 0 386.265 2.594 20 0 GFADRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)[C@H]1CC(=O)Nc2ccc(Br)cc21 ZINC000485932249 564631688 /nfs/dbraw/zinc/63/16/88/564631688.db2.gz YJCVTAFSKIUQLU-DIOULYMOSA-N 1 0 394.313 2.674 20 0 GFADRO COc1cccc(COCC[NH2+][C@H](C)Cn2cc(Br)ccc2=O)c1 ZINC000550938628 564634372 /nfs/dbraw/zinc/63/43/72/564634372.db2.gz ZZXUTSCLAKMGKR-CQSZACIVSA-N 1 0 395.297 2.814 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)c(C)c1C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000573372416 564634827 /nfs/dbraw/zinc/63/48/27/564634827.db2.gz MDHOTMFGWYFNMJ-CQSZACIVSA-N 1 0 377.286 2.815 20 0 GFADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)NCc3c(Cl)cccc3Cl)CC[C@@H]21 ZINC000551111442 564638291 /nfs/dbraw/zinc/63/82/91/564638291.db2.gz LHJVAMZDPBHTJN-WBMJQRKESA-N 1 0 384.307 2.552 20 0 GFADRO CC[NH+]1CCN(CC(C)(C)NC(=O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000456904179 564638541 /nfs/dbraw/zinc/63/85/41/564638541.db2.gz SALMAAUCUUFCLY-UHFFFAOYSA-N 1 0 388.339 2.905 20 0 GFADRO COc1ccccc1[C@H](CNc1ncc(I)cn1)[NH+](C)C ZINC000521919142 564639029 /nfs/dbraw/zinc/63/90/29/564639029.db2.gz MQZTVQWRSRTFGO-ZDUSSCGKSA-N 1 0 398.248 2.805 20 0 GFADRO O=C(Nc1ccc(F)cc1Br)C(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000573461038 564639753 /nfs/dbraw/zinc/63/97/53/564639753.db2.gz JBQGYRVNZSSRGB-UHFFFAOYSA-N 1 0 398.276 2.519 20 0 GFADRO O=S(=O)(C[C@H](O)C[NH2+]CCCc1c(F)cccc1Cl)c1cccs1 ZINC000521992049 564640667 /nfs/dbraw/zinc/64/06/67/564640667.db2.gz SLLMJDDTXIZILE-GFCCVEGCSA-N 1 0 391.917 2.898 20 0 GFADRO C[NH+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCN(c2cc(Cl)ccc2Cl)C1=O ZINC000486202215 564642997 /nfs/dbraw/zinc/64/29/97/564642997.db2.gz BMQAHCJWVSVHHA-KGLIPLIRSA-N 1 0 384.307 2.899 20 0 GFADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]CCCCNc1ccccn1 ZINC000551264944 564644845 /nfs/dbraw/zinc/64/48/45/564644845.db2.gz GVHSZHADNNVPNB-CQSZACIVSA-N 1 0 379.302 2.876 20 0 GFADRO CC1(C)CCC[N@@H+]1CCNC(=O)c1ccc(Br)cc1-n1cncn1 ZINC000457059819 564644915 /nfs/dbraw/zinc/64/49/15/564644915.db2.gz RDJMILVBTZOIOY-UHFFFAOYSA-N 1 0 392.301 2.634 20 0 GFADRO Cc1nc2ccc(Br)cn2c1C(=O)N(C)[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000457096623 564646111 /nfs/dbraw/zinc/64/61/11/564646111.db2.gz RCNYIGBDQNRFKZ-CQSZACIVSA-N 1 0 379.302 2.960 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N(C)Cc2ccc(Cl)s2)CC1=O ZINC000522175108 564646384 /nfs/dbraw/zinc/64/63/84/564646384.db2.gz VEUPRDFBVNDMAE-UONOGXRCSA-N 1 0 383.945 2.693 20 0 GFADRO C[N@H+](CCSc1ccnc2cc(Cl)ccc21)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000573660533 564649086 /nfs/dbraw/zinc/64/90/86/564649086.db2.gz FFUTUBRNXZUBFL-AWEZNQCLSA-N 1 0 399.969 2.946 20 0 GFADRO O=C(Nc1c(F)cccc1Br)C(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000573694625 564649450 /nfs/dbraw/zinc/64/94/50/564649450.db2.gz RTBRRWLTPVNTDY-UHFFFAOYSA-N 1 0 398.276 2.519 20 0 GFADRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)Nc1cc(Br)c(C)cc1C ZINC000486403361 564651619 /nfs/dbraw/zinc/65/16/19/564651619.db2.gz LFSPUCMSWKKQGD-CYBMUJFWSA-N 1 0 384.318 2.851 20 0 GFADRO C[C@@H]1C[C@@H](NS(=O)(=O)Cc2ccc(Cl)cc2Br)CC[NH2+]1 ZINC000573722789 564651760 /nfs/dbraw/zinc/65/17/60/564651760.db2.gz HEFNEZNSGUAKJU-SKDRFNHKSA-N 1 0 381.723 2.662 20 0 GFADRO C[NH+](C)CC[C@@H](NS(=O)(=O)c1cc2c(cc1Cl)OCCO2)C(C)(C)C ZINC000522556813 564652766 /nfs/dbraw/zinc/65/27/66/564652766.db2.gz AWZSTENSKYHKIE-MRXNPFEDSA-N 1 0 390.933 2.756 20 0 GFADRO CCN(Cc1ccc(C(=O)OC)cc1Br)C[C@@H](O)C(F)(F)F ZINC000551558617 564655072 /nfs/dbraw/zinc/65/50/72/564655072.db2.gz IXKKPHVJQJMCRP-GFCCVEGCSA-N 1 0 384.192 2.981 20 0 GFADRO CCN(CCO)CC[NH2+]Cc1cc(Br)c(C)c(Br)c1 ZINC000551589701 564656370 /nfs/dbraw/zinc/65/63/70/564656370.db2.gz DEGSBGOLPPCNGM-UHFFFAOYSA-N 1 0 394.151 2.924 20 0 GFADRO C[C@H]([NH2+]C[C@H](O)COC[C@H]1CCCO1)c1ccc(Br)cc1F ZINC000573845904 564656946 /nfs/dbraw/zinc/65/69/46/564656946.db2.gz DFMPGDFXFQJWFH-FPMFFAJLSA-N 1 0 376.266 2.795 20 0 GFADRO CN(C)S(=O)(=O)N1CCCC[C@@H]1C[NH2+][C@H]1CCCc2ccc(Cl)cc21 ZINC000573878506 564658044 /nfs/dbraw/zinc/65/80/44/564658044.db2.gz IEQQRVJASLRDSK-AEFFLSMTSA-N 1 0 385.961 2.968 20 0 GFADRO C[N@@H+]1CCC[C@@H](CNC(=O)N2CCN(c3cccc(Br)c3)CC2)C1 ZINC000551655720 564658593 /nfs/dbraw/zinc/65/85/93/564658593.db2.gz ZYHSTJCCGSAZIQ-HNNXBMFYSA-N 1 0 395.345 2.623 20 0 GFADRO C[C@H](NC(=O)[C@@H]1C[N@H+](C)C[C@H]1C)c1nc(-c2ccc(Br)cc2)no1 ZINC000486617353 564659557 /nfs/dbraw/zinc/65/95/57/564659557.db2.gz SFFJUGQQTSQTKD-UHIISALHSA-N 1 0 393.285 2.874 20 0 GFADRO [NH3+]C1CCC(OCC(=O)N[C@H]2CCN(c3ccc(Cl)cc3Cl)C2)CC1 ZINC000573918731 564659884 /nfs/dbraw/zinc/65/98/84/564659884.db2.gz YHSQKTWPMRFGST-SLTAFYQDSA-N 1 0 386.323 2.975 20 0 GFADRO COCC[NH+]1CCC(NC(=O)NCCOc2cccc(Cl)c2Cl)CC1 ZINC000523189943 564663140 /nfs/dbraw/zinc/66/31/40/564663140.db2.gz WEUCOSATLBOMJM-UHFFFAOYSA-N 1 0 390.311 2.782 20 0 GFADRO COc1ccc(CNC(=O)NCC[NH+]2CCC(C)CC2)cc1Br ZINC000523194078 564663235 /nfs/dbraw/zinc/66/32/35/564663235.db2.gz LOSAWHPNEMEZKD-UHFFFAOYSA-N 1 0 384.318 2.989 20 0 GFADRO Cc1cc(Br)c(C(=O)Nc2ccc(=O)n(CC[NH+](C)C)c2)s1 ZINC000457659302 564667987 /nfs/dbraw/zinc/66/79/87/564667987.db2.gz FTMAKBRAYIPFHI-UHFFFAOYSA-N 1 0 384.299 2.795 20 0 GFADRO CC[N@H+](CCNC(=O)[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)C1CC1 ZINC000523609805 564669884 /nfs/dbraw/zinc/66/98/84/564669884.db2.gz KZZDHSFJFGRRGH-AWEZNQCLSA-N 1 0 384.307 2.947 20 0 GFADRO C[C@@H](C[NH+]1CCCCC1)NC(=O)NCc1nc2c(cccc2Br)[nH]1 ZINC000457719386 564669855 /nfs/dbraw/zinc/66/98/55/564669855.db2.gz ZOCYRFZERHZENX-LBPRGKRZSA-N 1 0 394.317 2.999 20 0 GFADRO C[C@@H]1[C@@H](NC(=O)c2cn(Cc3ccc(Cl)cc3Cl)nn2)CCC[N@@H+]1C ZINC000457712707 564670289 /nfs/dbraw/zinc/67/02/89/564670289.db2.gz OTJZIEXLIRLNTH-ABAIWWIYSA-N 1 0 382.295 2.846 20 0 GFADRO CC[NH+](CC)CC[C@H](CO)NC(=O)[C@@H](C)Oc1ccc(Cl)c(Cl)c1 ZINC000552024009 564673826 /nfs/dbraw/zinc/67/38/26/564673826.db2.gz QBXIHQKIZXLVES-CHWSQXEVSA-N 1 0 377.312 2.970 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@@H](NS(=O)(=O)c2cc(Br)c(F)cc2F)C1 ZINC000487116884 564676178 /nfs/dbraw/zinc/67/61/78/564676178.db2.gz OMGORROAYPLARF-NXEZZACHSA-N 1 0 397.285 2.878 20 0 GFADRO CC[C@H](C)[N@H+](C)CCNC(=O)[C@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000524046125 564676361 /nfs/dbraw/zinc/67/63/61/564676361.db2.gz XQHSLJUIIYERMI-KBPBESRZSA-N 1 0 396.329 2.649 20 0 GFADRO O=C(N[C@@H](CO)c1cccc(Br)c1)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000487144663 564677112 /nfs/dbraw/zinc/67/71/12/564677112.db2.gz HGDSRAYCMTWTKY-RDJZCZTQSA-N 1 0 396.329 2.799 20 0 GFADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)c3c(O)cnc4c(Br)cccc43)[C@H]2C1 ZINC000487175573 564678346 /nfs/dbraw/zinc/67/83/46/564678346.db2.gz ZWVZPHXVYFUGFP-RISCZKNCSA-N 1 0 390.281 2.869 20 0 GFADRO CCC[NH+]1CCC(CNc2ccc(S(N)(=O)=O)cc2C(F)(F)F)CC1 ZINC000574564974 564678700 /nfs/dbraw/zinc/67/87/00/564678700.db2.gz LISSDCYZVISOKA-UHFFFAOYSA-N 1 0 379.448 2.887 20 0 GFADRO O=S(=O)(c1cccs1)N1CC[C@H](C[NH2+]Cc2ncc(Cl)s2)C1 ZINC000552172378 564679671 /nfs/dbraw/zinc/67/96/71/564679671.db2.gz IJLIIJSWWSUBPJ-SNVBAGLBSA-N 1 0 377.944 2.658 20 0 GFADRO CC(C)(C)C1=CC[N@H+](CCNC(=O)Cc2cc[nH]c(=O)c2Br)CC1 ZINC000552169989 564680276 /nfs/dbraw/zinc/68/02/76/564680276.db2.gz SZRUYNZCHNEHLZ-UHFFFAOYSA-N 1 0 396.329 2.887 20 0 GFADRO O=C(NCCOc1ccc2cc(Br)ccc2c1)N1CC[NH2+]CC1 ZINC000574622989 564681726 /nfs/dbraw/zinc/68/17/26/564681726.db2.gz INPJKUXEMYKTPR-UHFFFAOYSA-N 1 0 378.270 2.596 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)c2ccc(I)c(F)c2)CC[N@@H+]1C ZINC000524651123 564684190 /nfs/dbraw/zinc/68/41/90/564684190.db2.gz JNRAERAUIKUOGJ-MWLCHTKSSA-N 1 0 376.213 2.643 20 0 GFADRO O[C@@H](C[NH2+]CCCC1(O)CCC1)COc1cc(F)cc(Br)c1 ZINC000574686081 564684443 /nfs/dbraw/zinc/68/44/43/564684443.db2.gz IUHKJXAKDPSDIK-AWEZNQCLSA-N 1 0 376.266 2.613 20 0 GFADRO CSc1ccc(Cl)c(C(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)c1 ZINC000524682100 564685533 /nfs/dbraw/zinc/68/55/33/564685533.db2.gz IERXEXLZHRJEPO-UHFFFAOYSA-N 1 0 383.945 2.734 20 0 GFADRO COCCc1nc(C)c([C@@H](C)[NH2+]C[C@H](N2CCOCC2)C(F)(F)F)s1 ZINC000552335598 564686894 /nfs/dbraw/zinc/68/68/94/564686894.db2.gz XQWARZKPOGFIQH-YPMHNXCESA-N 1 0 381.464 2.554 20 0 GFADRO C[C@H]1C[C@H](NC(=O)N(CCO)Cc2cccc(Br)c2)C[N@@H+]1C1CC1 ZINC000487440296 564688278 /nfs/dbraw/zinc/68/82/78/564688278.db2.gz MEBZRKCODKKUKK-BBRMVZONSA-N 1 0 396.329 2.578 20 0 GFADRO Cc1cc(Cl)cc(NC(=O)C(=O)NCCC[NH2+]C(C)C)c1Br ZINC000574973127 564689451 /nfs/dbraw/zinc/68/94/51/564689451.db2.gz GFVQCJWMJFIKBL-UHFFFAOYSA-N 1 0 390.709 2.854 20 0 GFADRO O=C(N[C@H](c1cncc(Br)c1)C1CC1)N[C@@H]1C[NH2+]CCC1(F)F ZINC000574975474 564689558 /nfs/dbraw/zinc/68/95/58/564689558.db2.gz AKVSOMNDCPLAKL-OLZOCXBDSA-N 1 0 389.244 2.592 20 0 GFADRO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCc1ccc(Cl)cc1I ZINC000487510513 564689928 /nfs/dbraw/zinc/68/99/28/564689928.db2.gz DKYKWMSRQVHFSE-BXKDBHETSA-N 1 0 392.668 2.759 20 0 GFADRO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCc1ccc(Cl)cc1I ZINC000487510520 564689992 /nfs/dbraw/zinc/68/99/92/564689992.db2.gz DKYKWMSRQVHFSE-CABZTGNLSA-N 1 0 392.668 2.759 20 0 GFADRO CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+]CCc2cnc(SC3CCCC3)nc2)C1 ZINC000552406785 564690100 /nfs/dbraw/zinc/69/01/00/564690100.db2.gz OZWMYHDKECRGOY-DOTOQJQBSA-N 1 0 383.583 2.999 20 0 GFADRO C[C@@H](NC(=O)N(CCO)Cc1cccc(Br)c1)C1=CC[N@H+](C)CC1 ZINC000487580642 564691215 /nfs/dbraw/zinc/69/12/15/564691215.db2.gz HAUMLYGCMDCSMX-CQSZACIVSA-N 1 0 396.329 2.603 20 0 GFADRO COc1cc(I)c(Cl)cc1C(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000575125510 564692512 /nfs/dbraw/zinc/69/25/12/564692512.db2.gz GZMFZPUXGJRDFB-HTQZYQBOSA-N 1 0 396.656 2.809 20 0 GFADRO Cc1nc2ccc(Br)cn2c1C(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000458218085 564694314 /nfs/dbraw/zinc/69/43/14/564694314.db2.gz NUZFBSMSYHBACX-CYBMUJFWSA-N 1 0 379.302 2.867 20 0 GFADRO COc1cc(C(=O)NCC[C@@H]2CCC[N@H+](C)C2)cc(Br)c1OC ZINC000458222737 564694398 /nfs/dbraw/zinc/69/43/98/564694398.db2.gz QNDABKVYVDMAQS-LBPRGKRZSA-N 1 0 385.302 2.928 20 0 GFADRO CS(=O)(=O)c1ccc(C[NH2+]C[C@H](CO)Cc2c(F)cccc2Cl)cc1 ZINC000525181652 564694605 /nfs/dbraw/zinc/69/46/05/564694605.db2.gz DERMVJSOMUDFHU-CQSZACIVSA-N 1 0 385.888 2.823 20 0 GFADRO C[C@](O)(C[NH2+]Cc1csc(-c2ccc(Cl)cc2)n1)CN1CCOCC1 ZINC000525182054 564694936 /nfs/dbraw/zinc/69/49/36/564694936.db2.gz VDMIZCJOKGFYKA-SFHVURJKSA-N 1 0 381.929 2.636 20 0 GFADRO COCCC[N@H+](C)CCNC(=O)Nc1c(F)cc(Br)cc1F ZINC000525229015 564696617 /nfs/dbraw/zinc/69/66/17/564696617.db2.gz IRLKLWTXGIRINT-UHFFFAOYSA-N 1 0 380.233 2.817 20 0 GFADRO CC(C)[C@H](Cn1cccn1)[NH2+]CCCNS(=O)(=O)c1ccccc1Cl ZINC000575437029 564699393 /nfs/dbraw/zinc/69/93/93/564699393.db2.gz WVWPTOPRJDBRGQ-INIZCTEOSA-N 1 0 384.933 2.519 20 0 GFADRO OCC1([NH2+]Cc2ccc(I)cc2)Cc2ccccc2C1 ZINC000552832155 564702423 /nfs/dbraw/zinc/70/24/23/564702423.db2.gz SVYNZODWDOZYMA-UHFFFAOYSA-N 1 0 379.241 2.911 20 0 GFADRO CSC[C@H](O)C[NH2+]C[C@H](c1c(F)cccc1Cl)N1CCO[C@H](C)C1 ZINC000576029242 564704820 /nfs/dbraw/zinc/70/48/20/564704820.db2.gz ZPMOVQDPLLCQCV-XJKCOSOUSA-N 1 0 376.925 2.554 20 0 GFADRO C[C@H](Cc1ccccc1Br)NC(=O)NC[C@@H]1CCCC[N@@H+]1CCO ZINC000458534648 564705308 /nfs/dbraw/zinc/70/53/08/564705308.db2.gz DUPJTVLMHQBVSO-ZBFHGGJFSA-N 1 0 398.345 2.526 20 0 GFADRO CC[C@H](NC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1)[C@@H](O)C(F)F ZINC000458595455 564706918 /nfs/dbraw/zinc/70/69/18/564706918.db2.gz RMLNWPYUIIEPFD-GBJTYRQASA-N 1 0 375.847 2.789 20 0 GFADRO CCOCC[C@H](O)C[NH2+]CC1(c2ccc(Br)cc2)CCOCC1 ZINC000576220638 564708696 /nfs/dbraw/zinc/70/86/96/564708696.db2.gz YUIUAWXKWUFDHD-KRWDZBQOSA-N 1 0 386.330 2.874 20 0 GFADRO O=C(NCC1([NH+]2CCCCC2)CCOCC1)c1ncsc1Br ZINC000553092759 564709816 /nfs/dbraw/zinc/70/98/16/564709816.db2.gz OHOXEHNEUGRKJQ-UHFFFAOYSA-N 1 0 388.331 2.671 20 0 GFADRO CC[C@@H](O)[C@@H](CC)NC(=O)NCCc1cn2cc(Br)cc(C)c2n1 ZINC000458652384 564709946 /nfs/dbraw/zinc/70/99/46/564709946.db2.gz HUBSNOGANKUNGS-HUUCEWRRSA-N 1 0 397.317 2.796 20 0 GFADRO Cc1nn(C)c(C)c1C[C@@H](C)[NH2+]C[C@H](O)COc1ccc(Br)cc1 ZINC000576271729 564710772 /nfs/dbraw/zinc/71/07/72/564710772.db2.gz JBXSKBASOLSRAR-WBMJQRKESA-N 1 0 396.329 2.760 20 0 GFADRO C[S@@](=O)Cc1ccc(C[NH2+]C[C@@H](O)COCc2ccccc2Cl)cc1 ZINC000576272909 564710871 /nfs/dbraw/zinc/71/08/71/564710871.db2.gz RIRJSXKFGZYBQC-IQGLISFBSA-N 1 0 381.925 2.886 20 0 GFADRO OC[C@H](C[NH2+]Cc1cc(Br)c2c(c1)OCCCO2)c1cccnc1 ZINC000576353757 564713027 /nfs/dbraw/zinc/71/30/27/564713027.db2.gz KGQCFJJHYROYIQ-HNNXBMFYSA-N 1 0 393.281 2.871 20 0 GFADRO CC[N@@H+]1CCC[C@H](CNC(=O)NCc2ccc(Br)cc2OC)C1 ZINC000488510648 564713031 /nfs/dbraw/zinc/71/30/31/564713031.db2.gz FPYBQBUBLNMMLY-CYBMUJFWSA-N 1 0 384.318 2.989 20 0 GFADRO CC(=O)NCCN(Cc1ccc(Cl)cc1Cl)C(=O)[C@H]1C[N@@H+](C)C[C@@H]1C ZINC000488578015 564714233 /nfs/dbraw/zinc/71/42/33/564714233.db2.gz FPCXUKDOWDIVPN-LRDDRELGSA-N 1 0 386.323 2.656 20 0 GFADRO O[C@H](C[NH2+][C@H](c1cccc(Br)c1)C1CCOCC1)[C@H]1CCOC1 ZINC000525973338 564714484 /nfs/dbraw/zinc/71/44/84/564714484.db2.gz QVZFPXTXYKQXKV-JQHSSLGASA-N 1 0 384.314 2.904 20 0 GFADRO COc1ccc(S(=O)(=O)N2CC([NH2+][C@H]3CS[C@@H](C(C)(C)C)C3)C2)cc1 ZINC000488571653 564714528 /nfs/dbraw/zinc/71/45/28/564714528.db2.gz GTQOAOVTDHCEKE-CXAGYDPISA-N 1 0 384.567 2.578 20 0 GFADRO Cc1cc(CNC(=O)NC(C)(C)C[NH+](C)C)ccc1I ZINC000458729025 564714531 /nfs/dbraw/zinc/71/45/31/564714531.db2.gz JAIJEORLLNWYRU-UHFFFAOYSA-N 1 0 389.281 2.739 20 0 GFADRO COc1ccc(S(=O)(=O)N2CC([NH2+][C@@H]3CS[C@@H](C(C)(C)C)C3)C2)cc1 ZINC000488571660 564714623 /nfs/dbraw/zinc/71/46/23/564714623.db2.gz GTQOAOVTDHCEKE-SUMWQHHRSA-N 1 0 384.567 2.578 20 0 GFADRO C[C@@H](NC(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1)c1cccc(Cl)c1Cl ZINC000576491708 564715006 /nfs/dbraw/zinc/71/50/06/564715006.db2.gz YFKRALVQAMUKSQ-CHWSQXEVSA-N 1 0 384.307 2.867 20 0 GFADRO O=C(NCCNc1cc[nH+]cc1)N[C@@H]1C[C@H]1c1ccc(Br)s1 ZINC000525998969 564715161 /nfs/dbraw/zinc/71/51/61/564715161.db2.gz UTGQWRLZVVYZTC-VXGBXAGGSA-N 1 0 381.299 2.595 20 0 GFADRO CCN1CCN(C(=O)c2cc(Br)cnc2OCC2CC2)[C@H](C)C1 ZINC000553331991 564716238 /nfs/dbraw/zinc/71/62/38/564716238.db2.gz GNARBFKBVLSTDS-GFCCVEGCSA-N 1 0 382.302 2.799 20 0 GFADRO O=C(NCC(F)(F)c1ccc(Cl)cc1)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000458742221 564716375 /nfs/dbraw/zinc/71/63/75/564716375.db2.gz AWEXQCDONUZJQN-HNNXBMFYSA-N 1 0 375.847 2.578 20 0 GFADRO CCN1CCN(C(=O)c2ccn(-c3cccc(Br)c3)n2)[C@@H](C)C1 ZINC000553331104 564716456 /nfs/dbraw/zinc/71/64/56/564716456.db2.gz UXNFRBJTXHPSRD-ZDUSSCGKSA-N 1 0 377.286 2.801 20 0 GFADRO COCC[N@H+](C)CCNC(=O)NCC1(c2ccccc2Br)CCC1 ZINC000488681998 564717002 /nfs/dbraw/zinc/71/70/02/564717002.db2.gz DQOBTDKLYJXOLP-UHFFFAOYSA-N 1 0 398.345 2.748 20 0 GFADRO CC(C)Cc1ncnc(NC[C@H](C)[N@H+](C)C2CC2)c1I ZINC000553366530 564717289 /nfs/dbraw/zinc/71/72/89/564717289.db2.gz UQKQTAGHNFFEMK-NSHDSACASA-N 1 0 388.297 3.174 20 0 GFADRO CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CC(=O)Nc2ccc(Br)cc21 ZINC000553347693 564717503 /nfs/dbraw/zinc/71/75/03/564717503.db2.gz BOACPVZFQCUNOP-DZGCQCFKSA-N 1 0 394.313 2.866 20 0 GFADRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(c2ncc(I)cn2)C1 ZINC000576798903 564718784 /nfs/dbraw/zinc/71/87/84/564718784.db2.gz SSTUUPPDBBAYMX-SCRDCRAPSA-N 1 0 386.281 2.923 20 0 GFADRO C[C@H]1NC(=O)N(CC[N@H+](C)[C@H]2CCSc3ccc(Br)cc32)C1=O ZINC000576802286 564719562 /nfs/dbraw/zinc/71/95/62/564719562.db2.gz QJKWIERNSIAPMC-MFKMUULPSA-N 1 0 398.326 2.858 20 0 GFADRO COc1ccc(Br)c(CNC(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000576806978 564719949 /nfs/dbraw/zinc/71/99/49/564719949.db2.gz HEAJGDPURUMXMO-ZIAGYGMSSA-N 1 0 396.329 2.989 20 0 GFADRO CCCN(CC[NH+]1CCCC1)C(=O)N[C@H](C)c1ncc(Br)cn1 ZINC000458856818 564720466 /nfs/dbraw/zinc/72/04/66/564720466.db2.gz YWYAGQFLYZIOIX-CYBMUJFWSA-N 1 0 384.322 2.818 20 0 GFADRO O=C(NCC[N@@H+]1CCCOCC1)N(Cc1cccc(Br)c1)C1CC1 ZINC000458853959 564720785 /nfs/dbraw/zinc/72/07/85/564720785.db2.gz WRCCZWVBCRTPOC-UHFFFAOYSA-N 1 0 396.329 2.845 20 0 GFADRO C[C@H](CNS(=O)(=O)c1cc(Br)cc2cccnc21)[NH+]1CCCC1 ZINC000553450101 564721644 /nfs/dbraw/zinc/72/16/44/564721644.db2.gz NHEKCYHJKYFEDR-GFCCVEGCSA-N 1 0 398.326 2.760 20 0 GFADRO Cc1ccc(Cl)c2sc(NC(=O)[C@H]3CC(=O)N(CC[NH+](C)C)C3)nc21 ZINC000553488571 564722096 /nfs/dbraw/zinc/72/20/96/564722096.db2.gz AJZWJJKIPTYUJN-NSHDSACASA-N 1 0 380.901 2.607 20 0 GFADRO CSc1ccc([C@@H](CNC(=O)N2CCSC[C@@H]2CCO)[NH+](C)C)cc1 ZINC000458909946 564723128 /nfs/dbraw/zinc/72/31/28/564723128.db2.gz YXNMUCODNGRGIZ-DOTOQJQBSA-N 1 0 383.583 2.521 20 0 GFADRO C[C@@H]1Cc2cc(S(=O)(=O)N3CC[C@H]([NH+]4CCCC4)[C@H]3C)cc(Cl)c2O1 ZINC000553557518 564725778 /nfs/dbraw/zinc/72/57/78/564725778.db2.gz HQTFMBJUEFIMPX-XNJGSVPQSA-N 1 0 384.929 2.911 20 0 GFADRO O=C(NCC[N@H+]1CC=CCC1)[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000527018835 564726428 /nfs/dbraw/zinc/72/64/28/564726428.db2.gz QMVFDGZSXZQBEF-CQSZACIVSA-N 1 0 382.291 2.724 20 0 GFADRO COCCN(CC[NH+](C)C)C(=O)NC/C=C/c1ccc(Br)cc1 ZINC000458981433 564727654 /nfs/dbraw/zinc/72/76/54/564727654.db2.gz SUMZFRFWGFQABJ-SNAWJCMRSA-N 1 0 384.318 2.682 20 0 GFADRO O=C(NC/C=C/c1ccc(Br)cc1)NC[C@H]1CCC[N@H+]1CCCO ZINC000458979237 564727684 /nfs/dbraw/zinc/72/76/84/564727684.db2.gz QSRZWPTVXWNEDN-NZURWCHMSA-N 1 0 396.329 2.608 20 0 GFADRO CCC[NH+]1CCC(NS(=O)(=O)c2cc(Cl)cc(C(=O)OCC)c2)CC1 ZINC000489074382 564728015 /nfs/dbraw/zinc/72/80/15/564728015.db2.gz NBHOKJCSPXRSLI-UHFFFAOYSA-N 1 0 388.917 2.669 20 0 GFADRO O=C(Cc1ccc(I)cc1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000489082847 564728480 /nfs/dbraw/zinc/72/84/80/564728480.db2.gz XRRDHIZCJXHPKG-MRXNPFEDSA-N 1 0 398.288 2.921 20 0 GFADRO CC1CC[NH+](CCNS(=O)(=O)c2cccc(OC(F)(F)F)c2F)CC1 ZINC000489094275 564729203 /nfs/dbraw/zinc/72/92/03/564729203.db2.gz BFTMNWFPCXTZKZ-UHFFFAOYSA-N 1 0 384.395 2.735 20 0 GFADRO C[C@H](CNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)[NH+]1CCC(C)CC1 ZINC000553648257 564729919 /nfs/dbraw/zinc/72/99/19/564729919.db2.gz HKRUZIWNIVQMRQ-CYBMUJFWSA-N 1 0 380.432 2.984 20 0 GFADRO CSc1nnc(CNC(=O)N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)s1 ZINC000527100689 564730909 /nfs/dbraw/zinc/73/09/09/564730909.db2.gz ZJKUSCQJCLMABJ-CQSZACIVSA-N 1 0 383.587 2.914 20 0 GFADRO CN(Cc1c(Cl)cccc1Cl)C(=O)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000553684074 564731463 /nfs/dbraw/zinc/73/14/63/564731463.db2.gz DXJNXERMMVBQRN-UHFFFAOYSA-N 1 0 386.323 2.942 20 0 GFADRO CC(C)[NH2+]CC(=O)N1CCC(C(=O)Nc2cccc(Br)c2)CC1 ZINC000577297064 564732692 /nfs/dbraw/zinc/73/26/92/564732692.db2.gz XPKMCYVFTUDHCG-UHFFFAOYSA-N 1 0 382.302 2.624 20 0 GFADRO CC[NH+](CC)CCNC(=O)Nc1cc(Br)c(F)c(C(=O)OC)c1 ZINC000577334423 564734374 /nfs/dbraw/zinc/73/43/74/564734374.db2.gz TTXLSKOWFDKXGW-UHFFFAOYSA-N 1 0 390.253 2.838 20 0 GFADRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)Cc1ccccc1I ZINC000553772817 564734859 /nfs/dbraw/zinc/73/48/59/564734859.db2.gz QOKGVZINULJXJD-CZUORRHYSA-N 1 0 398.288 2.919 20 0 GFADRO CC(C)[C@H]1CN(C(=O)Cc2ccc(I)cc2)CC[N@@H+]1C ZINC000489317530 564735105 /nfs/dbraw/zinc/73/51/05/564735105.db2.gz UXJLGTUYKDVBOK-OAHLLOKOSA-N 1 0 386.277 2.632 20 0 GFADRO NC(=O)C[C@@H]([NH2+]Cc1cc(Cl)ccc1Br)C1CCOCC1 ZINC000553836275 564738509 /nfs/dbraw/zinc/73/85/09/564738509.db2.gz LFAUFHYRYBFXGZ-CQSZACIVSA-N 1 0 375.694 2.863 20 0 GFADRO C[C@H](CNC(=O)N1CC[C@]2(CC[N@H+](C)C2)C1)Oc1ccc(Br)cc1 ZINC000489393494 564738683 /nfs/dbraw/zinc/73/86/83/564738683.db2.gz CUOHVZFVDGEHCC-KDOFPFPSSA-N 1 0 396.329 2.954 20 0 GFADRO C[C@@H](CNC(=O)N1CC[C@]2(CC[N@H+](C)C2)C1)Oc1ccccc1Br ZINC000489446490 564740096 /nfs/dbraw/zinc/74/00/96/564740096.db2.gz NYALBFKTJKBTCH-KSSFIOAISA-N 1 0 396.329 2.954 20 0 GFADRO Cc1c(C(=O)Nc2cc(C)cc(Br)c2O)nnn1C1CC[NH2+]CC1 ZINC000578067795 564740106 /nfs/dbraw/zinc/74/01/06/564740106.db2.gz AZHTUQGZRVHCKO-UHFFFAOYSA-N 1 0 394.273 2.540 20 0 GFADRO CCCC[N@H+](C)C[C@@H](C)NS(=O)(=O)Cc1ccc(Br)cc1 ZINC000578051647 564740362 /nfs/dbraw/zinc/74/03/62/564740362.db2.gz KXBJDFQATVMYRM-CYBMUJFWSA-N 1 0 377.348 2.989 20 0 GFADRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(S(=O)(=O)N(CC)CC)s2)[C@@H]1SC ZINC000459394210 564742399 /nfs/dbraw/zinc/74/23/99/564742399.db2.gz ZNUGBAMDHHPUGI-LZWOXQAQSA-N 1 0 392.612 2.777 20 0 GFADRO C[NH+]1CCC([C@@H]2CCN(S(=O)(=O)c3c(Cl)ccc(F)c3F)C2)CC1 ZINC000553872904 564742764 /nfs/dbraw/zinc/74/27/64/564742764.db2.gz XKLZGHXURYKLIQ-GFCCVEGCSA-N 1 0 378.872 2.971 20 0 GFADRO C[C@H](CC[NH+](C)C)NS(=O)(=O)c1cc(Br)cc2cccnc21 ZINC000578348267 564743159 /nfs/dbraw/zinc/74/31/59/564743159.db2.gz CFVDMCHLMNCFAD-LLVKDONJSA-N 1 0 386.315 2.616 20 0 GFADRO CC[NH+]1C[C@H](C)N(CC(=O)N(C)Cc2ccccc2Br)[C@@H](C)C1 ZINC000459451155 564744725 /nfs/dbraw/zinc/74/47/25/564744725.db2.gz ATDCRASPBJRJQB-GJZGRUSLSA-N 1 0 382.346 2.822 20 0 GFADRO C[C@@H]1NC(=O)N(CC[NH2+][C@H]2c3cc(Br)ccc3CC2(C)C)C1=O ZINC000459485655 564746842 /nfs/dbraw/zinc/74/68/42/564746842.db2.gz DUSLTZHMQDRXPI-HZMBPMFUSA-N 1 0 380.286 2.602 20 0 GFADRO CC(C)[NH2+]CCCNC(=O)N1CCO[C@H](c2cccc(Br)c2)C1 ZINC000579333508 564747233 /nfs/dbraw/zinc/74/72/33/564747233.db2.gz NUMKYHIQRAXNID-INIZCTEOSA-N 1 0 384.318 2.920 20 0 GFADRO Cc1cc(CC(C)(C)NC(=O)[C@H]2C[N@@H+]3CCN2CCC3)ccc1Br ZINC000554008611 564748705 /nfs/dbraw/zinc/74/87/05/564748705.db2.gz DOBJBRIPVBRENM-QGZVFWFLSA-N 1 0 394.357 2.585 20 0 GFADRO O[C@H](C[NH2+][C@H]1CC[C@@H]1C1CC1)COc1ccc(I)cc1 ZINC000579628529 564749404 /nfs/dbraw/zinc/74/94/04/564749404.db2.gz VWIHAYRTOQJWNO-BMFZPTHFSA-N 1 0 387.261 2.809 20 0 GFADRO O=S1(=O)CCC[C@@H](C[NH2+][C@@H]2CCc3c2c(Br)ccc3F)C1 ZINC000554092989 564750171 /nfs/dbraw/zinc/75/01/71/564750171.db2.gz SDQGTIVKOSCSFO-IINYFYTJSA-N 1 0 376.291 2.990 20 0 GFADRO COCc1cc(C[NH2+]C[C@H](CO)Cc2cc(Br)ccc2F)no1 ZINC000459570554 564751277 /nfs/dbraw/zinc/75/12/77/564751277.db2.gz MHEKPXHPVYDYLG-LLVKDONJSA-N 1 0 387.249 2.663 20 0 GFADRO CCO[C@H]1C[C@@H]([NH2+]Cc2cc(Br)ccc2O[C@H](C)C(=O)NC)C1 ZINC000459642132 564753906 /nfs/dbraw/zinc/75/39/06/564753906.db2.gz ZLORLLXTXKIARH-DFBGVHRSSA-N 1 0 385.302 2.620 20 0 GFADRO CN1CC[NH2+]C[C@H]1CNC(=O)C1(c2cccc(Br)c2)CCCCC1 ZINC000580304054 564755216 /nfs/dbraw/zinc/75/52/16/564755216.db2.gz PHEIBQWGZQSVTC-KRWDZBQOSA-N 1 0 394.357 2.671 20 0 GFADRO COC(=O)c1ccc(-c2nc(C[NH2+]C3(CO)CCSCC3)cs2)cc1 ZINC000459691733 564756982 /nfs/dbraw/zinc/75/69/82/564756982.db2.gz GOSZBZAMUIMQBT-UHFFFAOYSA-N 1 0 378.519 2.944 20 0 GFADRO CS(=O)(=O)CC1CCC([NH2+]Cc2ncc(Br)cc2F)CC1 ZINC000527714220 564757288 /nfs/dbraw/zinc/75/72/88/564757288.db2.gz RKDBMCKLEOFIEV-UHFFFAOYSA-N 1 0 379.295 2.676 20 0 GFADRO O[C@H](COc1ccc(Br)cc1)C[N@@H+]1CC2(CCC2)[C@@H]2COC[C@@H]21 ZINC000459701268 564757958 /nfs/dbraw/zinc/75/79/58/564757958.db2.gz GEBKAJKWEKALGM-UAGQMJEPSA-N 1 0 382.298 2.690 20 0 GFADRO Cc1cc(Br)c(C[NH2+]C[C@H]2CNC(=O)C2)cc1Br ZINC000527720626 564758865 /nfs/dbraw/zinc/75/88/65/564758865.db2.gz ONLICAARXPUTGU-VIFPVBQESA-N 1 0 376.092 2.746 20 0 GFADRO COCc1cc(C[NH2+]C[C@@H](CO)Cc2cc(F)cc(Br)c2)no1 ZINC000459711020 564758937 /nfs/dbraw/zinc/75/89/37/564758937.db2.gz VEUHSRQYIDMDNO-LBPRGKRZSA-N 1 0 387.249 2.663 20 0 GFADRO CC(C)[C@H](CO)C[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000580444952 564759499 /nfs/dbraw/zinc/75/94/99/564759499.db2.gz CGLWOXZFJOQJPE-WCQYABFASA-N 1 0 380.710 2.696 20 0 GFADRO OC[C@@]1([NH2+]Cc2cc3c(cc2Br)OCO3)COc2ccccc2C1 ZINC000527769135 564760765 /nfs/dbraw/zinc/76/07/65/564760765.db2.gz WKHVQHSUZFBSIP-GOSISDBHSA-N 1 0 392.249 2.634 20 0 GFADRO OC[C@@]1([NH2+]Cc2cn3ccc(Br)cc3n2)COc2ccccc2C1 ZINC000527770942 564760851 /nfs/dbraw/zinc/76/08/51/564760851.db2.gz XPPQZDPGIIWDFK-GOSISDBHSA-N 1 0 388.265 2.553 20 0 GFADRO C[N@@H+]1CCC[C@H](CNC(=O)NCc2cc(F)c(Br)cc2F)C1 ZINC000527800503 564761376 /nfs/dbraw/zinc/76/13/76/564761376.db2.gz NYIWIZLFTOPKFY-SNVBAGLBSA-N 1 0 376.245 2.868 20 0 GFADRO C[NH+]1CCC(CNC(=O)N[C@H](c2cncc(Br)c2)C2CC2)CC1 ZINC000554472852 564762498 /nfs/dbraw/zinc/76/24/98/564762498.db2.gz OPZSSSKMIXMWTR-INIZCTEOSA-N 1 0 381.318 2.936 20 0 GFADRO CC[C@H](Cc1ccccc1Br)[NH2+]C[C@H](O)CN1C[C@@H](C)O[C@H](C)C1 ZINC000580543677 564763081 /nfs/dbraw/zinc/76/30/81/564763081.db2.gz NOXAYLWJBVWCKV-AHCXZYCDSA-N 1 0 399.373 2.830 20 0 GFADRO C[C@H]([NH2+]C[C@@]1(CO)COCC2(CCC2)N1C)c1cc(Br)cs1 ZINC000527954666 564766197 /nfs/dbraw/zinc/76/61/97/564766197.db2.gz MGBJVLCGUHLWJG-BLLLJJGKSA-N 1 0 389.359 2.777 20 0 GFADRO C[NH+](C)CCOCCNC(=O)N[C@H]1c2cccc(Br)c2CC1(C)C ZINC000490241952 564767160 /nfs/dbraw/zinc/76/71/60/564767160.db2.gz GPLXBTYZZUIMLP-INIZCTEOSA-N 1 0 398.345 2.950 20 0 GFADRO [NH3+]C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)c1ccc(Cl)c(Cl)c1)C2=O ZINC000580771681 564773539 /nfs/dbraw/zinc/77/35/39/564773539.db2.gz JJULTNHCHSUDBX-DIFFPNOSSA-N 1 0 384.263 2.616 20 0 GFADRO CCC[C@H]1C[NH2+]CCN1C(=O)c1cnn(-c2cccc(Br)c2)c1 ZINC000580832891 564776435 /nfs/dbraw/zinc/77/64/35/564776435.db2.gz IKRSPQPRFKGHCA-INIZCTEOSA-N 1 0 377.286 2.849 20 0 GFADRO C[C@@H](c1nc(C2([NH3+])CCC2)no1)N1C(=O)c2ccc(Br)cc2C1=O ZINC000580892382 564778462 /nfs/dbraw/zinc/77/84/62/564778462.db2.gz HMYXEYFFQVOQEC-QMMMGPOBSA-N 1 0 391.225 2.527 20 0 GFADRO OCC1([NH2+]Cc2cn(-c3ccccc3Br)nn2)Cc2ccccc2C1 ZINC000554970719 564779827 /nfs/dbraw/zinc/77/98/27/564779827.db2.gz FBWCLKPJEPFYQN-UHFFFAOYSA-N 1 0 399.292 2.649 20 0 GFADRO Cc1ccc(F)c(NC(=O)C(=O)N[C@@H](C)C[N@@H+](C)C(C)C)c1Br ZINC000555039783 564781839 /nfs/dbraw/zinc/78/18/39/564781839.db2.gz AHXXKFFWVZOSPT-NSHDSACASA-N 1 0 388.281 2.680 20 0 GFADRO CC1(C)COCCN1CCNC(=O)c1ccc(Br)c(F)c1F ZINC000528406418 564782099 /nfs/dbraw/zinc/78/20/99/564782099.db2.gz JNNBSWVLEUQWAU-UHFFFAOYSA-N 1 0 377.229 2.568 20 0 GFADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N2CCc3ccc(Br)cc32)C1 ZINC000490819826 564782581 /nfs/dbraw/zinc/78/25/81/564782581.db2.gz DFXGCPFURTZCJN-MRXNPFEDSA-N 1 0 396.329 2.878 20 0 GFADRO COCC[NH2+]C1CCN(C(=O)CCOc2ccc(C)cc2Br)CC1 ZINC000581018697 564783748 /nfs/dbraw/zinc/78/37/48/564783748.db2.gz QEWWRSNRSBAXRF-UHFFFAOYSA-N 1 0 399.329 2.753 20 0 GFADRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)Nc1ccn(-c2ccc(Br)cc2)n1 ZINC000581005213 564783845 /nfs/dbraw/zinc/78/38/45/564783845.db2.gz SYSLEMKMLZMYGN-HNNXBMFYSA-N 1 0 392.301 2.615 20 0 GFADRO CCCC[N@H+](C)CCNC(=O)N1CCC(n2cc(Br)cn2)CC1 ZINC000491074118 564786214 /nfs/dbraw/zinc/78/62/14/564786214.db2.gz DJSKUDOPZHYBKO-UHFFFAOYSA-N 1 0 386.338 2.724 20 0 GFADRO C[C@H]1[C@@H](NC(=O)Nc2ccc3nccnc3c2Br)CCC[N@@H+]1C ZINC000491116230 564787258 /nfs/dbraw/zinc/78/72/58/564787258.db2.gz UNUGNIKDORBCMM-QWRGUYRKSA-N 1 0 378.274 2.997 20 0 GFADRO CCS(=O)(=O)N1CC(C[NH2+][C@H](C)c2csc(-c3ccccc3F)n2)C1 ZINC000555241527 564787516 /nfs/dbraw/zinc/78/75/16/564787516.db2.gz ILXCVMMNNBXNCV-GFCCVEGCSA-N 1 0 383.514 2.881 20 0 GFADRO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000461035046 564788144 /nfs/dbraw/zinc/78/81/44/564788144.db2.gz QWNUEZYXQUNQSV-CJNGLKHVSA-N 1 0 396.329 2.647 20 0 GFADRO Cc1nc2cc(Cl)c(NC(=O)N3CC[C@@H](N4CC[NH2+]CC4)C3)cc2s1 ZINC000581119878 564788754 /nfs/dbraw/zinc/78/87/54/564788754.db2.gz QMJYWGMAGAEWPN-GFCCVEGCSA-N 1 0 379.917 2.770 20 0 GFADRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)c2ccc(Br)c(O)c2)C1 ZINC000491207228 564788971 /nfs/dbraw/zinc/78/89/71/564788971.db2.gz JJFKBJQUTYOSNR-CQSZACIVSA-N 1 0 385.302 2.728 20 0 GFADRO O=C(C1CC[NH+](C2CC2)CC1)N(CCO)Cc1cc(Br)cs1 ZINC000555306581 564789046 /nfs/dbraw/zinc/78/90/46/564789046.db2.gz AMTIDXRFZTVXGX-UHFFFAOYSA-N 1 0 387.343 2.706 20 0 GFADRO CC[N@@H+]1CC[C@@H](CNC(=O)Nc2ccc3nccnc3c2Br)C1 ZINC000491250296 564789265 /nfs/dbraw/zinc/78/92/65/564789265.db2.gz RBSGVKXTFHSQKV-NSHDSACASA-N 1 0 378.274 2.856 20 0 GFADRO O=S(=O)(c1ccc(F)c(Br)c1)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000581131702 564789938 /nfs/dbraw/zinc/78/99/38/564789938.db2.gz OLJOXJVMZLDTLR-NEPJUHHUSA-N 1 0 391.306 2.598 20 0 GFADRO C[C@]1(Br)C[C@H]1C(=O)Nc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000528543513 564792079 /nfs/dbraw/zinc/79/20/79/564792079.db2.gz ZVKMFZLQOYLJGF-YJBOKZPZSA-N 1 0 394.313 2.624 20 0 GFADRO O=S(=O)(NC[C@H]1CC[N@@H+]1C1CCCC1)c1ccccc1OC(F)(F)F ZINC000528546346 564793322 /nfs/dbraw/zinc/79/33/22/564793322.db2.gz KIQJYLXATJRCGX-CYBMUJFWSA-N 1 0 378.416 2.880 20 0 GFADRO C[C@@H]1CN(C(=O)CCc2nc3cc(Cl)ccc3s2)C[C@H](C)[N@H+]1CCO ZINC000581234980 564794551 /nfs/dbraw/zinc/79/45/51/564794551.db2.gz ZGTQEDHMVBTCDO-BETUJISGSA-N 1 0 381.929 2.796 20 0 GFADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)c2sc3ncccc3c2Cl)CC1 ZINC000528562479 564795647 /nfs/dbraw/zinc/79/56/47/564795647.db2.gz YZXCGOULWQEQDH-ZDUSSCGKSA-N 1 0 380.945 2.953 20 0 GFADRO Cc1cccc(CC(=O)NCC2CC[NH+](CCN(C)C)CC2)c1Br ZINC000528563288 564796077 /nfs/dbraw/zinc/79/60/77/564796077.db2.gz ZXSDHMXHOFQJDR-UHFFFAOYSA-N 1 0 396.373 2.690 20 0 GFADRO COc1cc(C[NH2+]C[C@]2(OC)CCOC2)cc(Br)c1OC(F)F ZINC000461432206 564796523 /nfs/dbraw/zinc/79/65/23/564796523.db2.gz WQVJUPXHNQEKEF-OAHLLOKOSA-N 1 0 396.228 2.954 20 0 GFADRO Cc1cccc(CC(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)c1Br ZINC000528602110 564796626 /nfs/dbraw/zinc/79/66/26/564796626.db2.gz ALRWAPYICOINAQ-OAHLLOKOSA-N 1 0 395.341 2.917 20 0 GFADRO O=S(=O)(NCCC[NH+]1CCCCC1)c1ccc(OCC(F)(F)F)cc1 ZINC000491919375 564796764 /nfs/dbraw/zinc/79/67/64/564796764.db2.gz FRAPIABRFMYEMP-UHFFFAOYSA-N 1 0 380.432 2.782 20 0 GFADRO C[NH+](C)[C@H](CNc1ccc(S(=O)(=O)NCC2CC2)cn1)c1ccsc1 ZINC000461451518 564797895 /nfs/dbraw/zinc/79/78/95/564797895.db2.gz DVBZNTFWPZUYTR-MRXNPFEDSA-N 1 0 380.539 2.546 20 0 GFADRO COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+]CCNS(=O)(=O)c2cccs2)C1 ZINC000555564864 564797949 /nfs/dbraw/zinc/79/79/49/564797949.db2.gz VLCIJMKUWLNXQP-LSDHHAIUSA-N 1 0 388.555 2.518 20 0 GFADRO COC(=O)CCC[C@@H]1CCC[C@H]([NH2+]CCNS(=O)(=O)c2cccs2)C1 ZINC000555564862 564798050 /nfs/dbraw/zinc/79/80/50/564798050.db2.gz VLCIJMKUWLNXQP-GJZGRUSLSA-N 1 0 388.555 2.518 20 0 GFADRO CC[C@@H](C(=O)N1CCNC(=O)[C@@H]1c1cccc(Br)c1)[NH+](CC)CC ZINC000461490274 564798829 /nfs/dbraw/zinc/79/88/29/564798829.db2.gz LIMZMPBZJVLZSS-HOTGVXAUSA-N 1 0 396.329 2.569 20 0 GFADRO OC[C@]1([NH2+]C[C@H](O)c2ccc(F)c(Br)c2)COc2ccccc2C1 ZINC000528647552 564799067 /nfs/dbraw/zinc/79/90/67/564799067.db2.gz YSEUUESGASRKIW-WMZOPIPTSA-N 1 0 396.256 2.577 20 0 GFADRO CCOc1c(Br)cc(Cl)cc1NC(=O)NC[C@@H]1COCC[NH2+]1 ZINC000528667603 564799516 /nfs/dbraw/zinc/79/95/16/564799516.db2.gz JXVRPECMMXFXDL-SNVBAGLBSA-N 1 0 392.681 2.611 20 0 GFADRO COc1cc(NC(=O)N[C@H]2CC[NH2+]C23CCC3)cc(OC)c1Br ZINC000528684761 564800718 /nfs/dbraw/zinc/80/07/18/564800718.db2.gz IRBLMUMEMIFQEX-ZDUSSCGKSA-N 1 0 384.274 2.872 20 0 GFADRO O=C(NC[C@H]1COCC[NH2+]1)Nc1ccc(C(F)(F)F)c(Br)c1 ZINC000528686567 564800757 /nfs/dbraw/zinc/80/07/57/564800757.db2.gz GFGZKDOHHIHTHD-VIFPVBQESA-N 1 0 382.180 2.578 20 0 GFADRO Cc1nn(C)c(OCC(F)(F)F)c1C[NH2+]CCc1nnc(C(C)C)s1 ZINC000492333416 564801781 /nfs/dbraw/zinc/80/17/81/564801781.db2.gz KEBFCCHFSGVYNJ-UHFFFAOYSA-N 1 0 377.436 2.977 20 0 GFADRO C[C@]1(CO)CCC[C@H]1[NH2+]C[C@H](O)COc1ccc(Cl)cc1Br ZINC000492874997 564804806 /nfs/dbraw/zinc/80/48/06/564804806.db2.gz RCDIFKSANYXMQI-APHBMKBZSA-N 1 0 392.721 2.983 20 0 GFADRO CCCC[N@H+](C)C[C@H](C)NC(=O)N[C@@H](CO)c1cccc(Br)c1 ZINC000461795616 564804852 /nfs/dbraw/zinc/80/48/52/564804852.db2.gz KSKYDEBSILWXGE-BBRMVZONSA-N 1 0 386.334 2.902 20 0 GFADRO COc1cc(C(=O)NCC[NH+]2CCC(C)CC2)cc(Br)c1OC ZINC000555815595 564805065 /nfs/dbraw/zinc/80/50/65/564805065.db2.gz SIAXULZXKDOBOW-UHFFFAOYSA-N 1 0 385.302 2.928 20 0 GFADRO COc1cc(C(=O)N(C)[C@H]2CC[N@@H+](C3CC3)C2)cc(Br)c1OC ZINC000555881427 564807658 /nfs/dbraw/zinc/80/76/58/564807658.db2.gz KDVRVGSEFGKTPQ-ZDUSSCGKSA-N 1 0 383.286 2.775 20 0 GFADRO COC(=O)c1cc(Br)cc(C(=O)NC[C@@H](C)C[NH+]2CCCC2)c1 ZINC000461922585 564808217 /nfs/dbraw/zinc/80/82/17/564808217.db2.gz NJXXZAKIJSFVFW-GFCCVEGCSA-N 1 0 383.286 2.697 20 0 GFADRO COC(=O)c1cc(Br)cc(C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000461964676 564809839 /nfs/dbraw/zinc/80/98/39/564809839.db2.gz KRICLIAJDZINSV-GJZGRUSLSA-N 1 0 381.270 2.592 20 0 GFADRO CC[NH2+]CCCNC(=O)C(=O)N(Cc1ccccc1Br)CC(C)C ZINC000581598246 564810309 /nfs/dbraw/zinc/81/03/09/564810309.db2.gz QULKUBHARUFYTB-UHFFFAOYSA-N 1 0 398.345 2.550 20 0 GFADRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NS(=O)(=O)c1cccc(Cl)c1Br ZINC000493850976 564810571 /nfs/dbraw/zinc/81/05/71/564810571.db2.gz WKGJJUBKNCPGCW-BXKDBHETSA-N 1 0 393.734 2.864 20 0 GFADRO C[C@H]1CC[C@@H]([N@H+](CCO)CC(=O)N(C)Cc2cc(Br)cs2)C1 ZINC000556072689 564812579 /nfs/dbraw/zinc/81/25/79/564812579.db2.gz OVBWZXDQMUXWSP-GXTWGEPZSA-N 1 0 389.359 2.952 20 0 GFADRO C[C@@H]([NH2+]C[C@H](O)COc1cc(F)cc(Br)c1)c1cc[nH]c(=O)c1 ZINC000581721807 564815554 /nfs/dbraw/zinc/81/55/54/564815554.db2.gz QOLZVAQKUKPWPK-YGRLFVJLSA-N 1 0 385.233 2.779 20 0 GFADRO C[NH+](C)C1(CNC(=O)[C@@H]2CCc3cc(Br)ccc32)CCOCC1 ZINC000581727471 564815584 /nfs/dbraw/zinc/81/55/84/564815584.db2.gz DFAPILSTLBXAJH-MRXNPFEDSA-N 1 0 381.314 2.706 20 0 GFADRO COc1ccc(C[NH2+][C@@H](C)Cn2cc(Br)ccc2=O)cc1OC ZINC000556236112 564815763 /nfs/dbraw/zinc/81/57/63/564815763.db2.gz MUFBKHNORVDTTQ-LBPRGKRZSA-N 1 0 381.270 2.806 20 0 GFADRO CC(C)[NH+]1CCC(NC(=O)Cn2cc(C(F)(F)F)cc(Cl)c2=O)CC1 ZINC000494131077 564818154 /nfs/dbraw/zinc/81/81/54/564818154.db2.gz PBPVEFPBBYHJIS-UHFFFAOYSA-N 1 0 379.810 2.510 20 0 GFADRO CC[NH+]1CCN(CCCNC(=O)[C@@H](C)Oc2ccc(Cl)c(Cl)c2)CC1 ZINC000494150671 564818298 /nfs/dbraw/zinc/81/82/98/564818298.db2.gz KDLRWLOTAGYMSG-CQSZACIVSA-N 1 0 388.339 2.905 20 0 GFADRO O=C(CC[N@@H+](CCO)Cc1cc(Br)cs1)N1CCCCC1 ZINC000494218390 564820199 /nfs/dbraw/zinc/82/01/99/564820199.db2.gz BXKLHAMMGRMNBS-UHFFFAOYSA-N 1 0 375.332 2.708 20 0 GFADRO CNC(=O)c1ccc(C[N@H+](CCO)Cc2cc(Br)cs2)cc1 ZINC000494248887 564821246 /nfs/dbraw/zinc/82/12/46/564821246.db2.gz VSBFMVVOCKCFIF-UHFFFAOYSA-N 1 0 383.311 2.865 20 0 GFADRO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N[C@@H](C)Cc1ccc(Cl)cc1Cl ZINC000581888714 564821650 /nfs/dbraw/zinc/82/16/50/564821650.db2.gz QKMLQRWSZFIBJR-QWHCGFSZSA-N 1 0 388.339 2.887 20 0 GFADRO Cc1csc(C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])c1I ZINC000581879237 564821784 /nfs/dbraw/zinc/82/17/84/564821784.db2.gz YZEIQQSCESDYPN-VHSXEESVSA-N 1 0 378.279 2.908 20 0 GFADRO CC[N@@H+]1CCCC[C@H]1CNS(=O)(=O)c1ccc(Br)c(F)c1 ZINC000462130102 564822188 /nfs/dbraw/zinc/82/21/88/564822188.db2.gz HZFNMKISCUVJFR-NSHDSACASA-N 1 0 379.295 2.741 20 0 GFADRO C[C@H](C(=O)N1CC[C@H](C[NH+]2CCOCC2)C1)c1cccc(Br)c1 ZINC000462146650 564823651 /nfs/dbraw/zinc/82/36/51/564823651.db2.gz OWMAMTZWFQQGNR-LSDHHAIUSA-N 1 0 381.314 2.733 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1cc(Br)cc(C(=O)OC)c1 ZINC000462182613 564826256 /nfs/dbraw/zinc/82/62/56/564826256.db2.gz VMWMJVYFVHKCNL-OAHLLOKOSA-N 1 0 383.286 2.792 20 0 GFADRO C[NH+]1CCC(N(Cc2ccccc2Br)C(=O)c2cncnc2)CC1 ZINC000582035401 564827592 /nfs/dbraw/zinc/82/75/92/564827592.db2.gz BWOONGUGGIZGTQ-UHFFFAOYSA-N 1 0 389.297 2.976 20 0 GFADRO COC(=O)c1cc(Br)cc(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000462251760 564829156 /nfs/dbraw/zinc/82/91/56/564829156.db2.gz ICPBANFNJILALB-OAHLLOKOSA-N 1 0 381.270 2.544 20 0 GFADRO O=C(N[C@H]1CC[NH2+]C12CCC2)N1CCOc2ccc(Br)cc2C1 ZINC000529354025 564831573 /nfs/dbraw/zinc/83/15/73/564831573.db2.gz RVYLTDLRAOXSGN-HNNXBMFYSA-N 1 0 380.286 2.638 20 0 GFADRO CCC[C@@H](C)[C@H](CO)[NH2+]CCS(=O)(=O)c1ccc(Br)cc1 ZINC000582125115 564832539 /nfs/dbraw/zinc/83/25/39/564832539.db2.gz HGYWGNBGRFZMDW-DOMZBBRYSA-N 1 0 378.332 2.610 20 0 GFADRO Cc1cc([C@@H]2CCCN2C(=O)NC[C@@H]2COCC[NH2+]2)ccc1Br ZINC000529377436 564832977 /nfs/dbraw/zinc/83/29/77/564832977.db2.gz NXBXCODCFXJMFH-ZBFHGGJFSA-N 1 0 382.302 2.592 20 0 GFADRO O=C(NC[C@@H]1COCC[NH2+]1)N1CCCC[C@H]1Cc1cccc(Br)c1 ZINC000529386516 564833243 /nfs/dbraw/zinc/83/32/43/564833243.db2.gz JPDDCIOXUIAMFT-SJORKVTESA-N 1 0 396.329 2.544 20 0 GFADRO Cc1ccc(C[C@H](CO)C[NH2+]C[C@@](C)(O)C(F)(F)F)cc1Br ZINC000582181270 564833914 /nfs/dbraw/zinc/83/39/14/564833914.db2.gz OFROBCPFAOIUDE-GXTWGEPZSA-N 1 0 384.236 2.811 20 0 GFADRO O=C(CC[C@H]1CCC[NH2+]1)NC[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000494671141 564836414 /nfs/dbraw/zinc/83/64/14/564836414.db2.gz VEHKIIKYFNAHRF-GOEBONIOSA-N 1 0 380.330 2.924 20 0 GFADRO COCC[NH2+]C1CCN(C(=O)N[C@@H](C)Cc2ccc(Br)cc2)CC1 ZINC000582306339 564840259 /nfs/dbraw/zinc/84/02/59/564840259.db2.gz LPJGWSDQWYDTQB-AWEZNQCLSA-N 1 0 398.345 2.790 20 0 GFADRO Cn1ccnc1[C@@H]1CC[N@@H+]([C@@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000582309003 564840398 /nfs/dbraw/zinc/84/03/98/564840398.db2.gz HMGXCFOIISTREO-CZUORRHYSA-N 1 0 389.297 2.777 20 0 GFADRO Cc1nc2sccn2c(=O)c1CC[NH2+][C@@H](C)c1ccc([S@](C)=O)cc1 ZINC000556811362 564840771 /nfs/dbraw/zinc/84/07/71/564840771.db2.gz XIVXBWRKIBMXLT-VDBVYFBLSA-N 1 0 375.519 2.695 20 0 GFADRO [NH3+]C1(C(=O)N2CCC(C(=O)Nc3cccc(Br)c3)CC2)CCCC1 ZINC000494853156 564841420 /nfs/dbraw/zinc/84/14/20/564841420.db2.gz KGMMPWGCOOBHJK-UHFFFAOYSA-N 1 0 394.313 2.898 20 0 GFADRO COCCN(Cc1ccc(Br)s1)C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000494839208 564842170 /nfs/dbraw/zinc/84/21/70/564842170.db2.gz UKUAWZZGAPPYKI-GFCCVEGCSA-N 1 0 390.347 2.763 20 0 GFADRO Cc1ccc(S(=O)(=O)N2CCN(CC(C)C)CC2)cc1Br ZINC000462479801 564842548 /nfs/dbraw/zinc/84/25/48/564842548.db2.gz NZVDMITZCZYBFJ-UHFFFAOYSA-N 1 0 375.332 2.720 20 0 GFADRO COc1ccc(C[C@@H](CO)C[NH2+]Cc2ccc(F)cn2)cc1Br ZINC000529595029 564844225 /nfs/dbraw/zinc/84/42/25/564844225.db2.gz HELRBPPCNWZKHB-CYBMUJFWSA-N 1 0 383.261 2.933 20 0 GFADRO CC(C)[N@H+](C)C[C@@H](C)NC(=O)NC[C@@H](O)COc1cccc(Cl)c1Cl ZINC000462529851 564845484 /nfs/dbraw/zinc/84/54/84/564845484.db2.gz RHUNSXXOEREGQW-CHWSQXEVSA-N 1 0 392.327 2.761 20 0 GFADRO CC(C)[NH+]1CCC(NCCNS(=O)(=O)c2cccc(Cl)c2Cl)CC1 ZINC000556911711 564845635 /nfs/dbraw/zinc/84/56/35/564845635.db2.gz NLJSUPIJBIEIAP-UHFFFAOYSA-N 1 0 394.368 2.734 20 0 GFADRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1cc(Br)cnc1OCC1CC1 ZINC000556898481 564846219 /nfs/dbraw/zinc/84/62/19/564846219.db2.gz GGDLDRSBFVQXEE-BZNIZROVSA-N 1 0 394.313 2.845 20 0 GFADRO CC[NH+](CC)CCN(C(=O)[C@@H]1CO[C@@H](C)C1)c1ccc(Br)cn1 ZINC000582424138 564846452 /nfs/dbraw/zinc/84/64/52/564846452.db2.gz XCTGUWQBAZUMSL-KBPBESRZSA-N 1 0 384.318 2.944 20 0 GFADRO CC[NH+]1CCC(CNC(=O)NCCOc2cccc(Br)c2)CC1 ZINC000582432828 564846655 /nfs/dbraw/zinc/84/66/55/564846655.db2.gz ZMGDSRDGINSZNT-UHFFFAOYSA-N 1 0 384.318 2.859 20 0 GFADRO CC[NH+](CC)CCNC(=O)c1cc(NC(=O)COC(F)F)ccc1Cl ZINC000556938460 564847975 /nfs/dbraw/zinc/84/79/75/564847975.db2.gz AXZXVGRGEGTTSA-UHFFFAOYSA-N 1 0 377.819 2.589 20 0 GFADRO Cn1cc(Br)c(CNC(=O)NC2CC[NH+](CC3CCCC3)CC2)n1 ZINC000582469377 564848487 /nfs/dbraw/zinc/84/84/87/564848487.db2.gz GCDWLARXHSQSNA-UHFFFAOYSA-N 1 0 398.349 2.636 20 0 GFADRO CS(=O)(=O)N1CC[C@H]([NH2+]Cc2csc3c2cccc3Br)C1 ZINC000582497912 564849535 /nfs/dbraw/zinc/84/95/35/564849535.db2.gz HOBBFSVGLZGQQY-NSHDSACASA-N 1 0 389.340 2.787 20 0 GFADRO C[C@@H](CC[NH+](C)C)NC(=O)N[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000495154472 564849870 /nfs/dbraw/zinc/84/98/70/564849870.db2.gz CJXFJRRELVOUAI-ZFWWWQNUSA-N 1 0 383.334 2.667 20 0 GFADRO Cc1nccc(NC(=O)N2CCCC[C@@H]2[C@@H]2CCC[NH2+]C2)c1Br ZINC000556995400 564850179 /nfs/dbraw/zinc/85/01/79/564850179.db2.gz QHYONSXGDBHZOF-UKRRQHHQSA-N 1 0 381.318 2.960 20 0 GFADRO O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccccc1OCc1cccc(Br)c1 ZINC000495173722 564850696 /nfs/dbraw/zinc/85/06/96/564850696.db2.gz MAERVUSOOMSYMP-VQFNDLOPSA-N 1 0 387.277 2.976 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCN(C(=O)Nc2ccc(-c3ccc(Br)s3)nn2)C1 ZINC000582534483 564850815 /nfs/dbraw/zinc/85/08/15/564850815.db2.gz BGBJOLUNRVKYSY-UWVGGRQHSA-N 1 0 396.314 3.169 20 0 GFADRO Cc1nc(C(=O)N2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)c(Br)s1 ZINC000582532538 564851357 /nfs/dbraw/zinc/85/13/57/564851357.db2.gz OPICTPGMGKYIQD-QJPTWQEYSA-N 1 0 388.331 2.538 20 0 GFADRO O=C(NCC1CC[NH+](C2CC2)CC1)c1cn2ccc(Br)cc2n1 ZINC000557045514 564852491 /nfs/dbraw/zinc/85/24/91/564852491.db2.gz QTXSTAXGIFQBPT-UHFFFAOYSA-N 1 0 377.286 2.701 20 0 GFADRO C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@H]1C[C@H](c2ccc(Br)cc2)C1 ZINC000462618572 564852921 /nfs/dbraw/zinc/85/29/21/564852921.db2.gz CEAZMPGLQHRZOB-QRTARXTBSA-N 1 0 381.314 2.780 20 0 GFADRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)Cc1ccc(I)cc1 ZINC000557117053 564854107 /nfs/dbraw/zinc/85/41/07/564854107.db2.gz VZUMOJOIPFKGCY-BBRMVZONSA-N 1 0 398.288 2.919 20 0 GFADRO CS[C@@H]1CN(C(=O)CCc2cc(Br)cs2)C[C@H]1[NH+](C)C ZINC000495551352 564854903 /nfs/dbraw/zinc/85/49/03/564854903.db2.gz YCENYINIJUAXKV-CHWSQXEVSA-N 1 0 377.373 2.947 20 0 GFADRO COC(=O)CN(CCc1ccc(Cl)cc1Cl)C(=O)[C@@H]([NH3+])CC(F)F ZINC000582666842 564856589 /nfs/dbraw/zinc/85/65/89/564856589.db2.gz JZAZUFGCFYOTPE-LBPRGKRZSA-N 1 0 383.222 2.520 20 0 GFADRO CS[C@H]1CN(C(=O)c2cc(NC(=O)N(C)C)ccc2Cl)C[C@@H]1[NH+](C)C ZINC000495712590 564856701 /nfs/dbraw/zinc/85/67/01/564856701.db2.gz MEGMLXLSAYBSRK-GJZGRUSLSA-N 1 0 384.933 2.551 20 0 GFADRO CC(C)[N@H+](C)C[C@H](C)NC(=O)C(=O)Nc1cccc(Cl)c1Br ZINC000582756154 564860074 /nfs/dbraw/zinc/86/00/74/564860074.db2.gz JOJWRCSHHLZXJM-JTQLQIEISA-N 1 0 390.709 2.886 20 0 GFADRO CN(C)c1cnc(C(=O)N[C@@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)cn1 ZINC000530032403 564860684 /nfs/dbraw/zinc/86/06/84/564860684.db2.gz RVJAHNKFXIIFEF-HNNXBMFYSA-N 1 0 382.295 2.882 20 0 GFADRO COc1ccc(C(=O)N(C)C(C)(C)CN2CCOCC2)c(Br)c1 ZINC000582773826 564860746 /nfs/dbraw/zinc/86/07/46/564860746.db2.gz MVYLZDSYVKXCKO-UHFFFAOYSA-N 1 0 385.302 2.641 20 0 GFADRO CC(=O)N1CCC[C@H](C(=O)N[C@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)C1 ZINC000530033000 564860782 /nfs/dbraw/zinc/86/07/82/564860782.db2.gz YMMOQRKVEZUFGV-WMLDXEAASA-N 1 0 386.323 2.971 20 0 GFADRO C[NH+](C)C[C@H](NC(=O)[C@@H]1CC(=O)N(C2CC2)C1)c1ccc(Cl)c(Cl)c1 ZINC000530032082 564860809 /nfs/dbraw/zinc/86/08/09/564860809.db2.gz OXBJAFYBHSAGMC-WBMJQRKESA-N 1 0 384.307 2.723 20 0 GFADRO Cc1cc(OC[C@H](O)C[NH2+]C[C@H]2CCCS2(=O)=O)c(C(C)C)cc1Cl ZINC000582781061 564861869 /nfs/dbraw/zinc/86/18/69/564861869.db2.gz QZJGLSDOMOCNFJ-HUUCEWRRSA-N 1 0 389.945 2.678 20 0 GFADRO C[C@]1(F)C[NH2+]CCN(Cc2nc(-c3ccc(Br)s3)no2)C1 ZINC000582786816 564861900 /nfs/dbraw/zinc/86/19/00/564861900.db2.gz IXDHYGTVPNDWAO-ZDUSSCGKSA-N 1 0 375.267 2.694 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCCCN1S(=O)(=O)c1ccc(Br)c(Cl)c1 ZINC000497350335 564865651 /nfs/dbraw/zinc/86/56/51/564865651.db2.gz PRYVKMUYMLKYOS-TVQRCGJNSA-N 1 0 381.723 2.993 20 0 GFADRO O=C1NC(=O)C2(CCC([NH2+][C@@H](CCO)c3ccc(Cl)c(Cl)c3)CC2)N1 ZINC000557520798 564866446 /nfs/dbraw/zinc/86/64/46/564866446.db2.gz HHLJWXYTAFEJPQ-WKXXDYOBSA-N 1 0 386.279 2.527 20 0 GFADRO CC[C@H]([NH3+])CNC(=O)[C@@H](CCSC)NC(=O)c1ccc(Cl)cc1Cl ZINC000582904326 564866888 /nfs/dbraw/zinc/86/68/88/564866888.db2.gz MQDGSKHYEIMNLA-SMDDNHRTSA-N 1 0 392.352 2.698 20 0 GFADRO COc1cc(Br)c(Cl)cc1C(=O)NCCN1CCO[C@H](C)C1 ZINC000583026605 564872493 /nfs/dbraw/zinc/87/24/93/564872493.db2.gz IGRLANCOSOCQNO-SNVBAGLBSA-N 1 0 391.693 2.562 20 0 GFADRO CN1C(=O)c2ccccc2[C@H]1C[NH2+]C[C@H](O)c1ccccc1Br ZINC000530240926 564873260 /nfs/dbraw/zinc/87/32/60/564873260.db2.gz BYKAIQWZYZKZFF-SJORKVTESA-N 1 0 375.266 2.899 20 0 GFADRO OC[C@H](C[NH2+]C1CCN(CC(F)F)CC1)Cc1ccccc1Br ZINC000463252398 564873665 /nfs/dbraw/zinc/87/36/65/564873665.db2.gz MEKXFZFXIQCDIK-ZDUSSCGKSA-N 1 0 391.300 2.919 20 0 GFADRO CS[C@@H]1CN(CC(=O)Nc2ccc(OC(F)F)c(Cl)c2)C[C@H]1[NH+](C)C ZINC000557724927 564874381 /nfs/dbraw/zinc/87/43/81/564874381.db2.gz ACVUSKYPWPPHAN-TZMCWYRMSA-N 1 0 393.887 2.857 20 0 GFADRO CC(C)(C)[C@H](O)C[C@H](CO)[NH2+]CCC(=O)Nc1ccc(Br)cc1 ZINC000583084974 564875425 /nfs/dbraw/zinc/87/54/25/564875425.db2.gz STWNXUJBAHOHCW-HUUCEWRRSA-N 1 0 387.318 2.525 20 0 GFADRO O=C([C@H]1CCc2cc(Br)ccc21)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000583085525 564875469 /nfs/dbraw/zinc/87/54/69/564875469.db2.gz GRSCOBJVHQLGCI-KSSFIOAISA-N 1 0 393.325 2.660 20 0 GFADRO CC[N@@H+]1CCC[C@H](CNS(=O)(=O)Cc2ccccc2Br)C1 ZINC000557813297 564877674 /nfs/dbraw/zinc/87/76/74/564877674.db2.gz AAMZWPQVEQBHNJ-CYBMUJFWSA-N 1 0 375.332 2.600 20 0 GFADRO O=C1NC(=O)C2(CCC([NH2+]CC3(c4cccc(Br)c4)CC3)CC2)N1 ZINC000557807628 564877856 /nfs/dbraw/zinc/87/78/56/564877856.db2.gz GHTAKARYMOVXJU-UHFFFAOYSA-N 1 0 392.297 2.591 20 0 GFADRO C[C@H](CNS(=O)(=O)c1c(F)cccc1OC(F)(F)F)C[NH+]1CCCC1 ZINC000557805087 564878007 /nfs/dbraw/zinc/87/80/07/564878007.db2.gz QMEXMUTYCZZMKX-LLVKDONJSA-N 1 0 384.395 2.735 20 0 GFADRO CN1CCO[C@@H](CSCC(=O)N(Cc2ccccc2)CC(F)(F)F)C1 ZINC000583321438 564886551 /nfs/dbraw/zinc/88/65/51/564886551.db2.gz JADJJELGZIUFNK-OAHLLOKOSA-N 1 0 376.444 2.641 20 0 GFADRO C[NH+](C)C1CCN(C(=O)CSc2nncn2-c2cccc(Cl)c2)CC1 ZINC000498175584 564891309 /nfs/dbraw/zinc/89/13/09/564891309.db2.gz CODRPAKMKIFJMK-UHFFFAOYSA-N 1 0 379.917 2.565 20 0 GFADRO CC(C)[C@@H](NC(=O)c1ccccc1Br)C(=O)NCCCC[NH+](C)C ZINC000498356370 564896832 /nfs/dbraw/zinc/89/68/32/564896832.db2.gz TYNPWYCFFDYTNV-MRXNPFEDSA-N 1 0 398.345 2.662 20 0 GFADRO O=S(=O)(c1cccs1)N1CC[C@H](C[NH2+]Cc2cc3cccnc3o2)C1 ZINC000583545779 564896878 /nfs/dbraw/zinc/89/68/78/564896878.db2.gz FJBMCWQXGHSEPS-CYBMUJFWSA-N 1 0 377.491 2.690 20 0 GFADRO COC[C@H]([NH2+]CCNS(=O)(=O)c1ccc(Cl)cc1F)c1ccccc1 ZINC000558259111 564897158 /nfs/dbraw/zinc/89/71/58/564897158.db2.gz NEKDPRLFEOTIIT-INIZCTEOSA-N 1 0 386.876 2.735 20 0 GFADRO Cc1cc(N2C[C@@H](C(=O)NCCCC[NH+](C)C)CC2=O)ccc1Br ZINC000498377201 564897863 /nfs/dbraw/zinc/89/78/63/564897863.db2.gz QMGJLDYFSGIDOQ-AWEZNQCLSA-N 1 0 396.329 2.568 20 0 GFADRO CC[C@@H](C(=O)NCCCNC(=O)c1ccc(Br)cc1)[NH+](CC)CC ZINC000531053090 564900994 /nfs/dbraw/zinc/90/09/94/564900994.db2.gz QTADBVCACSBNDJ-INIZCTEOSA-N 1 0 398.345 2.806 20 0 GFADRO CC[NH+](CC)CCS(=O)(=O)NCCc1nc2cc(Cl)ccc2s1 ZINC000583662624 564901323 /nfs/dbraw/zinc/90/13/23/564901323.db2.gz MGTTYUHLVIYFNM-UHFFFAOYSA-N 1 0 375.947 2.753 20 0 GFADRO CC[NH+](CC)CCS(=O)(=O)N[C@H]1C[C@@H]1c1cccc(Br)c1 ZINC000558472936 564902364 /nfs/dbraw/zinc/90/23/64/564902364.db2.gz RTLSGYWMDFEIBT-CABCVRRESA-N 1 0 375.332 2.566 20 0 GFADRO CC[NH+](CC)CCS(=O)(=O)N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1 ZINC000558473305 564902715 /nfs/dbraw/zinc/90/27/15/564902715.db2.gz XNFRSLHIJURDHU-CYBMUJFWSA-N 1 0 394.368 2.833 20 0 GFADRO CC[N@@H+]1C[C@H](C)N(C(=O)CCNC(=O)c2ccc(Br)cc2)C[C@H]1C ZINC000498572244 564902936 /nfs/dbraw/zinc/90/29/36/564902936.db2.gz YHODWALDDSHTIS-KGLIPLIRSA-N 1 0 396.329 2.510 20 0 GFADRO CC[NH+](CC)CCN(C(=O)c1ccc(C(C)C)s1)[C@@H]1CCS(=O)(=O)C1 ZINC000558547553 564905404 /nfs/dbraw/zinc/90/54/04/564905404.db2.gz UVUIXRRYDOXJFL-OAHLLOKOSA-N 1 0 386.583 2.843 20 0 GFADRO CCC[N@H+](CC)C[C@@H](C)NC(=O)C(=O)Nc1cc(Br)ccc1F ZINC000558542907 564905416 /nfs/dbraw/zinc/90/54/16/564905416.db2.gz YLAZGCNIYSTCNS-LLVKDONJSA-N 1 0 388.281 2.763 20 0 GFADRO C[C@@H]1CC[N@H+](C)CCN1C(=O)c1ccc(F)cc1I ZINC000498733506 564906956 /nfs/dbraw/zinc/90/69/56/564906956.db2.gz DBWRVCOTSINJAF-SNVBAGLBSA-N 1 0 376.213 2.597 20 0 GFADRO CC[C@@H](C)[C@H]([NH3+])C(=O)N1CCN(Cc2cc(Br)ccc2F)CC1 ZINC000583813192 564909047 /nfs/dbraw/zinc/90/90/47/564909047.db2.gz CXIYSYREUUKQEC-WBMJQRKESA-N 1 0 386.309 2.606 20 0 GFADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)N1CCC[C@H]1c1ccc(Br)cc1 ZINC000531442856 564910475 /nfs/dbraw/zinc/91/04/75/564910475.db2.gz QYSKSFDWXFAPLG-IRXDYDNUSA-N 1 0 395.345 2.541 20 0 GFADRO CN(C)C(=O)C1(C[NH2+]C[C@@H](O)COc2c(Cl)cccc2Cl)CCCC1 ZINC000583866955 564910695 /nfs/dbraw/zinc/91/06/95/564910695.db2.gz MRNGBOISIAWVGP-CYBMUJFWSA-N 1 0 389.323 2.971 20 0 GFADRO O=C(NCC[NH2+]C[C@@H](O)COc1ccccc1Cl)c1ccccc1Cl ZINC000583866875 564910954 /nfs/dbraw/zinc/91/09/54/564910954.db2.gz KMYNAVRGIOKZSP-CYBMUJFWSA-N 1 0 383.275 2.753 20 0 GFADRO C[C@]1(C(=O)NCc2ccc(I)c(Cl)c2)CC[NH2+]C1 ZINC000583929124 564913549 /nfs/dbraw/zinc/91/35/49/564913549.db2.gz HBPWIVALLNIBGE-ZDUSSCGKSA-N 1 0 378.641 2.560 20 0 GFADRO Cc1cc(Br)c(S(=O)(=O)N2CCC3(CC[NH2+]CC3)CC2)s1 ZINC000583933915 564913774 /nfs/dbraw/zinc/91/37/74/564913774.db2.gz CRPBAJFZWVBBQY-UHFFFAOYSA-N 1 0 393.372 2.973 20 0 GFADRO CC(C)[N@H+](C)C[C@H](C)NC(=O)Nc1ccc(NS(C)(=O)=O)c(Cl)c1 ZINC000583962719 564914574 /nfs/dbraw/zinc/91/45/74/564914574.db2.gz FHQLNSAVVWFQQZ-NSHDSACASA-N 1 0 376.910 2.562 20 0 GFADRO CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)c3csc(Br)c3)C2)CC1 ZINC000531583455 564914709 /nfs/dbraw/zinc/91/47/09/564914709.db2.gz ROXROIRDFFBVKX-CQSZACIVSA-N 1 0 386.359 2.751 20 0 GFADRO C[C@@H]([NH2+]CCNC(=O)c1cnccn1)[C@@H](C)Oc1ccc(Cl)cc1Cl ZINC000531706491 564917996 /nfs/dbraw/zinc/91/79/96/564917996.db2.gz NRIHRICABAGQPG-VXGBXAGGSA-N 1 0 383.279 2.959 20 0 GFADRO CCS[C@@H]1CC[C@H]([N@H+](C)CC(=O)N2CCN(Cc3ccsc3)CC2)C1 ZINC000464779363 564918373 /nfs/dbraw/zinc/91/83/73/564918373.db2.gz YHQKOYBNOBHRNF-ZWKOTPCHSA-N 1 0 381.611 2.998 20 0 GFADRO C[NH+]1CCC(CCO)(NC(=O)c2cc3cc(Br)ccc3o2)CC1 ZINC000499122752 564918668 /nfs/dbraw/zinc/91/86/68/564918668.db2.gz PRCHUFRFIOFUSK-UHFFFAOYSA-N 1 0 381.270 2.772 20 0 GFADRO C[C@@H](C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1)[NH+]1C[C@@H](C)[C@H](C)C1 ZINC000464853523 564919443 /nfs/dbraw/zinc/91/94/43/564919443.db2.gz SDHGOIVZPQXPBJ-UPJWGTAASA-N 1 0 387.933 2.505 20 0 GFADRO C[NH+](C)C[C@@H]1CCCN1C(=O)C1CCN(C(=O)c2ccc(Cl)s2)CC1 ZINC000464922494 564920488 /nfs/dbraw/zinc/92/04/88/564920488.db2.gz XCCZCLPYSCAEDI-AWEZNQCLSA-N 1 0 383.945 2.806 20 0 GFADRO CC(C)c1nnc(CNC(=O)NCC2([NH+]3CCSCC3)CCCC2)s1 ZINC000531819452 564921046 /nfs/dbraw/zinc/92/10/46/564921046.db2.gz RWMQGDKXSGIXNT-UHFFFAOYSA-N 1 0 383.587 2.822 20 0 GFADRO CCC[C@H]1CN(C(=O)Cc2cccc(Br)c2)CC[N@@H+]1CCOC ZINC000499439856 564927313 /nfs/dbraw/zinc/92/73/13/564927313.db2.gz FRBKOQLTXHFICV-KRWDZBQOSA-N 1 0 383.330 2.951 20 0 GFADRO C[C@@H](NC(=O)Cc1c(Cl)cccc1Cl)C(=O)NCC[NH+]1CCCCC1 ZINC000559257856 564927794 /nfs/dbraw/zinc/92/77/94/564927794.db2.gz MEWFBQHZTSIKNW-CYBMUJFWSA-N 1 0 386.323 2.643 20 0 GFADRO O=S1(=O)CCc2cc(C[NH2+]Cc3cc(Cl)c4c(c3)OCCO4)ccc21 ZINC000532068045 564928129 /nfs/dbraw/zinc/92/81/29/564928129.db2.gz RMFOFSADEKRVSH-UHFFFAOYSA-N 1 0 379.865 2.731 20 0 GFADRO C[C@@H](NC(=O)C(=O)NC[C@H](C)[N@H+](C)C1CC1)c1cc(F)c(Cl)cc1Cl ZINC000559405723 564931910 /nfs/dbraw/zinc/93/19/10/564931910.db2.gz NAQGUFFCTILTOZ-VHSXEESVSA-N 1 0 390.286 2.909 20 0 GFADRO CS[C@H](C)CNC(=O)C(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000559382160 564932284 /nfs/dbraw/zinc/93/22/84/564932284.db2.gz OXAFSCYRCHHKLZ-HUUCEWRRSA-N 1 0 383.583 2.505 20 0 GFADRO C[NH+]1CCN(C[C@H](Nc2ncncc2Br)c2ccccc2)CC1 ZINC000532205978 564932364 /nfs/dbraw/zinc/93/23/64/564932364.db2.gz NTIABYRVRVFTGU-INIZCTEOSA-N 1 0 376.302 2.640 20 0 GFADRO CN(CC[NH+]1CCCC1)C(=O)c1ccn(-c2ccc(Br)cc2)n1 ZINC000559553576 564934952 /nfs/dbraw/zinc/93/49/52/564934952.db2.gz VORDSWZGSGULBE-UHFFFAOYSA-N 1 0 377.286 2.803 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@@H](C)Oc1cccc(Br)c1 ZINC000466008683 564935183 /nfs/dbraw/zinc/93/51/83/564935183.db2.gz MDOKOLMTHNEJBJ-UKRRQHHQSA-N 1 0 384.318 3.000 20 0 GFADRO O=C(NCc1cccc(Cl)c1Cl)C(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000559630971 564937103 /nfs/dbraw/zinc/93/71/03/564937103.db2.gz KJADXDFJNQVEEK-AWEZNQCLSA-N 1 0 384.307 2.696 20 0 GFADRO C[C@@H](CNC(=O)N1CC[NH+](CC2CC2)CC1)Oc1cccc(Br)c1 ZINC000466296583 564937466 /nfs/dbraw/zinc/93/74/66/564937466.db2.gz KBQZGBGVDRCEEK-AWEZNQCLSA-N 1 0 396.329 2.954 20 0 GFADRO C[C@H](CNC(=O)N1CC[N@H+](C)CC[C@@H]1C)Oc1ccc(Br)cc1 ZINC000466380735 564939917 /nfs/dbraw/zinc/93/99/17/564939917.db2.gz OZEMCBXXQUIDAA-UONOGXRCSA-N 1 0 384.318 2.952 20 0 GFADRO CC(C)[N@H+](C)CC1CCN(C(=O)Nc2cc(Br)c(=O)n(C)c2)CC1 ZINC000532521917 564939939 /nfs/dbraw/zinc/93/99/39/564939939.db2.gz LSMBTFUJAPOUSI-UHFFFAOYSA-N 1 0 399.333 2.732 20 0 GFADRO C[C@H]([NH2+]C[C@@H](O)COCc1cccs1)C1CCN(CC(F)(F)F)CC1 ZINC000559792208 564940793 /nfs/dbraw/zinc/94/07/93/564940793.db2.gz GRDKHTBHXNNOBU-DZGCQCFKSA-N 1 0 380.476 2.878 20 0 GFADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@H](CO)Cc1ccc(F)cc1 ZINC000559895042 564941503 /nfs/dbraw/zinc/94/15/03/564941503.db2.gz WRWQFUIVVPBIEK-UKRRQHHQSA-N 1 0 397.288 2.579 20 0 GFADRO O=C(NCC[NH+]1CCCC1)C1(c2ccc(I)cc2)CC1 ZINC000499978782 564941657 /nfs/dbraw/zinc/94/16/57/564941657.db2.gz NPQJSYAGLPGKNZ-UHFFFAOYSA-N 1 0 384.261 2.535 20 0 GFADRO C[C@H](CNC(=O)C(=O)Nc1cccc(Cl)c1SCC(F)F)C[NH+](C)C ZINC000559974975 564943224 /nfs/dbraw/zinc/94/32/24/564943224.db2.gz RKMVNHHECLOQTJ-SNVBAGLBSA-N 1 0 393.887 2.950 20 0 GFADRO C[C@H](CNC(=O)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C)Oc1ccc(Br)cc1 ZINC000466550389 564943562 /nfs/dbraw/zinc/94/35/62/564943562.db2.gz JBIYNOSVCFRGSV-AHIWAGSCSA-N 1 0 396.329 2.998 20 0 GFADRO C[C@@H]1CN(Cc2nc(-c3ccc(Br)cc3)c[nH]2)C[C@H](C)[N@H+]1CCO ZINC000560134166 564950991 /nfs/dbraw/zinc/95/09/91/564950991.db2.gz IFIRKFSUAIHZLS-OKILXGFUSA-N 1 0 393.329 2.726 20 0 GFADRO CCCOc1ccc(C[NH2+]CCNS(=O)(=O)c2cccs2)cc1OC ZINC000533008841 564952016 /nfs/dbraw/zinc/95/20/16/564952016.db2.gz QKEOTOVCEHOXJY-UHFFFAOYSA-N 1 0 384.523 2.614 20 0 GFADRO O[C@@H](COCc1ccco1)C[NH+]1CCN(c2cccc(Br)c2)CC1 ZINC000560166975 564952449 /nfs/dbraw/zinc/95/24/49/564952449.db2.gz JXJZUIRFAAAEEZ-QGZVFWFLSA-N 1 0 395.297 2.742 20 0 GFADRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)CCOc1ccc(Br)cc1F ZINC000467028952 564953581 /nfs/dbraw/zinc/95/35/81/564953581.db2.gz OFSPRGXMGWSWBX-NHYWBVRUSA-N 1 0 385.277 2.956 20 0 GFADRO COC(=O)c1ccc(CN(CCO)[C@@H]2CCCSC2)c(Br)c1 ZINC000560284382 564956022 /nfs/dbraw/zinc/95/60/22/564956022.db2.gz AHUPGEMKRMAEAO-CQSZACIVSA-N 1 0 388.327 2.926 20 0 GFADRO COc1c(Cl)cc(Cl)cc1C[NH2+][C@@H]1CCC[C@@H]1CNS(C)(=O)=O ZINC000500534756 564956424 /nfs/dbraw/zinc/95/64/24/564956424.db2.gz PECBXMUTICPMMG-QMTHXVAHSA-N 1 0 381.325 2.810 20 0 GFADRO C[N@H+](CC[C@H]1CCCO1)CC(=O)Nc1cccc(I)c1 ZINC000467156054 564957531 /nfs/dbraw/zinc/95/75/31/564957531.db2.gz WONQKOGRYCYJHC-CQSZACIVSA-N 1 0 388.249 2.731 20 0 GFADRO O[C@H](Cn1cccn1)C[N@H+](Cc1cccc(Br)c1)C1CCOCC1 ZINC000467301181 564960076 /nfs/dbraw/zinc/96/00/76/564960076.db2.gz YJXYBPXCSQNAOP-SFHVURJKSA-N 1 0 394.313 2.688 20 0 GFADRO O=S(=O)(NCC[NH+]1CCCCCC1)c1cc(Br)ccc1F ZINC000500667786 564960066 /nfs/dbraw/zinc/96/00/66/564960066.db2.gz MUBJEDARGOYBJA-UHFFFAOYSA-N 1 0 379.295 2.743 20 0 GFADRO CC[NH+]1CCN([C@H](C)CNC(=O)C(C)(C)c2ccccc2Br)CC1 ZINC000467285190 564960093 /nfs/dbraw/zinc/96/00/93/564960093.db2.gz ZGKFXEYJOZOAOD-OAHLLOKOSA-N 1 0 396.373 2.869 20 0 GFADRO CC[NH+]1CCN([C@@H](C)CNC(=O)C(C)(C)c2ccccc2Br)CC1 ZINC000467285189 564960120 /nfs/dbraw/zinc/96/01/20/564960120.db2.gz ZGKFXEYJOZOAOD-HNNXBMFYSA-N 1 0 396.373 2.869 20 0 GFADRO CO[C@@H]1C[N@H+](C[C@@H](O)COc2cc(F)cc(Br)c2)CC[C@H]1C ZINC000467288034 564960226 /nfs/dbraw/zinc/96/02/26/564960226.db2.gz LOCIKVSYMKLSBO-DJSGYFEHSA-N 1 0 376.266 2.685 20 0 GFADRO C[C@@H]([NH2+]Cc1ccc(S(=O)(=O)N2CCOCC2)s1)C1C(C)(C)C1(C)C ZINC000533331594 564960483 /nfs/dbraw/zinc/96/04/83/564960483.db2.gz SOXQXOQEJHQMNF-CYBMUJFWSA-N 1 0 386.583 2.929 20 0 GFADRO O=C(COc1cc(Cl)c(Cl)cc1Cl)NC[C@]1(O)C[NH+]2CCC1CC2 ZINC000560507544 564966455 /nfs/dbraw/zinc/96/64/55/564966455.db2.gz YNYRBPOZUJTTKB-INIZCTEOSA-N 1 0 393.698 2.599 20 0 GFADRO C[C@@H]([NH2+]CCN1CCO[C@H](C)C1)c1cc2c(cc1Br)OCCO2 ZINC000501004982 564967738 /nfs/dbraw/zinc/96/77/38/564967738.db2.gz CKTDDHSYUQRVDE-CHWSQXEVSA-N 1 0 385.302 2.592 20 0 GFADRO C[C@H]1C[C@@H](NC(=O)c2cc(Br)cnc2OCC2CC2)C[N@@H+]1C1CC1 ZINC000560576618 564968148 /nfs/dbraw/zinc/96/81/48/564968148.db2.gz QCQMEADFCNZRIN-SMDDNHRTSA-N 1 0 394.313 2.988 20 0 GFADRO CN(CCC[NH+]1CCCC1)C(=O)CSc1nnc(-c2cccs2)n1C ZINC000467665790 564969620 /nfs/dbraw/zinc/96/96/20/564969620.db2.gz CTHWJGNRPRYJTD-UHFFFAOYSA-N 1 0 379.555 2.580 20 0 GFADRO O=C(COc1ccsc1Cl)NC[C@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1 ZINC000560614489 564969756 /nfs/dbraw/zinc/96/97/56/564969756.db2.gz GCDLJSAJQXPBRT-HUUCEWRRSA-N 1 0 380.897 2.532 20 0 GFADRO CN1CCO[C@H]([C@@H](NC[C@]2([NH+](C)C)CCSC2)c2ccc(Cl)cc2)C1 ZINC000467750645 564971132 /nfs/dbraw/zinc/97/11/32/564971132.db2.gz AMJJHGUPXCCURE-GBESFXJTSA-N 1 0 383.989 2.739 20 0 GFADRO Cc1cccc(S(=O)(=O)N2CCC(C[NH+](C)C)CC2)c1Br ZINC000501189499 564973060 /nfs/dbraw/zinc/97/30/60/564973060.db2.gz WZNBBZRYEOKEEO-UHFFFAOYSA-N 1 0 375.332 2.720 20 0 GFADRO Cc1c(Br)c2ccccc2n1CC(=O)NCCNc1cc[nH+]cc1 ZINC000533810857 564973528 /nfs/dbraw/zinc/97/35/28/564973528.db2.gz NRMYYFHQKQKSTF-UHFFFAOYSA-N 1 0 387.281 2.757 20 0 GFADRO COC1CC[NH+](C(C)(C)CNC(=O)Nc2cncc(Br)c2)CC1 ZINC000533853863 564974393 /nfs/dbraw/zinc/97/43/93/564974393.db2.gz FBIIRADVYQCTCG-UHFFFAOYSA-N 1 0 385.306 2.855 20 0 GFADRO Cn1nnc2cc(C[N@H+](C)[C@@H](CO)c3cccc(Br)c3)ccc21 ZINC000501423968 564979675 /nfs/dbraw/zinc/97/96/75/564979675.db2.gz PFSVQEXBUSTZRA-KRWDZBQOSA-N 1 0 375.270 2.896 20 0 GFADRO CS[C@H]1CN(C(=O)C2(c3ccccc3Cl)CCOCC2)C[C@H]1[NH+](C)C ZINC000534093304 564979798 /nfs/dbraw/zinc/97/97/98/564979798.db2.gz IXVRMSRWTWDKNG-SJORKVTESA-N 1 0 382.957 2.892 20 0 GFADRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)NCc1ccc(S(C)(=O)=O)s1 ZINC000468331408 564981982 /nfs/dbraw/zinc/98/19/82/564981982.db2.gz USWKOOWFBLMGMT-CQSZACIVSA-N 1 0 387.571 2.605 20 0 GFADRO Cn1cc(Br)c(C(=O)NC[C@]2(C)CCC[N@@H+]2Cc2ccccc2)n1 ZINC000501605232 564983597 /nfs/dbraw/zinc/98/35/97/564983597.db2.gz JDKUFXSKTBRUID-SFHVURJKSA-N 1 0 391.313 2.967 20 0 GFADRO COC[C@@]1(CNC(=O)NCc2ccc(-c3csc(C)n3)s2)CCC[NH2+]1 ZINC000561148292 564985379 /nfs/dbraw/zinc/98/53/79/564985379.db2.gz OKGVIYDIQATCAG-KRWDZBQOSA-N 1 0 380.539 2.748 20 0 GFADRO COCC[N@H+](CCN1CCO[C@@H](C)C1)Cc1cc(Br)cs1 ZINC000501872170 564987134 /nfs/dbraw/zinc/98/71/34/564987134.db2.gz IWDBFDZQBCZJRP-ZDUSSCGKSA-N 1 0 377.348 2.680 20 0 GFADRO C[C@@]1(CNC(=O)N[C@@H]2CCN(c3cccc(Br)c3)C2)CCC[NH2+]C1 ZINC000561203202 564987662 /nfs/dbraw/zinc/98/76/62/564987662.db2.gz SLRZENAATIQZBH-CRAIPNDOSA-N 1 0 395.345 2.717 20 0 GFADRO COc1cc(Br)ccc1[C@H](C)NC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000561203388 564987686 /nfs/dbraw/zinc/98/76/86/564987686.db2.gz XBIMRNWNOVCUAP-YNEHKIRRSA-N 1 0 382.302 2.770 20 0 GFADRO CC[NH+]1CCN([C@H]2CCN(c3c(Cl)cc(Cl)cc3C(=O)OC)C2)CC1 ZINC000561209427 564987838 /nfs/dbraw/zinc/98/78/38/564987838.db2.gz CYQHTKKCKRQZFU-AWEZNQCLSA-N 1 0 386.323 2.996 20 0 GFADRO Cc1nc(CNC(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)sc1Br ZINC000561217261 564987987 /nfs/dbraw/zinc/98/79/87/564987987.db2.gz CHKDGPSSVUVLLD-QWHCGFSZSA-N 1 0 395.326 2.769 20 0 GFADRO C[C@H](O)C[N@@H+]1CCN(Cc2cc(Br)ccc2OC(F)F)[C@@H](C)C1 ZINC000501947427 564988609 /nfs/dbraw/zinc/98/86/09/564988609.db2.gz LDXVWCGJSVGQAL-RYUDHWBXSA-N 1 0 393.272 2.937 20 0 GFADRO C[N@@H+]1CCC[C@@H]1CNC(=O)Nc1cnn(-c2ccccc2Br)c1 ZINC000534482509 564989858 /nfs/dbraw/zinc/98/98/58/564989858.db2.gz NLQCWZQZRJIGDB-CYBMUJFWSA-N 1 0 378.274 2.851 20 0 GFADRO CC(C)Cc1ncnc(N(C)CCC[NH+](C)C)c1I ZINC000561286468 564990081 /nfs/dbraw/zinc/99/00/81/564990081.db2.gz OLZUWIMZPXGVGY-UHFFFAOYSA-N 1 0 376.286 2.668 20 0 GFADRO Cc1[nH]c2ccc(Br)cc2c1CC(=O)NCCNc1cc[nH+]cc1 ZINC000534521722 564990985 /nfs/dbraw/zinc/99/09/85/564990985.db2.gz JAFPKKSHRDZBSP-UHFFFAOYSA-N 1 0 387.281 2.827 20 0 GFADRO CCC[NH+]1CCC(NC(=O)NCC(=O)Nc2ccc(Br)cc2)CC1 ZINC000502088262 564991728 /nfs/dbraw/zinc/99/17/28/564991728.db2.gz BMRSWTAJVXWGIJ-UHFFFAOYSA-N 1 0 397.317 2.561 20 0 GFADRO CCn1cc(S(=O)(=O)N(CC[NH+](CC)CC)Cc2cccs2)nc1C ZINC000502110039 564992359 /nfs/dbraw/zinc/99/23/59/564992359.db2.gz NCDSHNHVBCTGKH-UHFFFAOYSA-N 1 0 384.571 2.806 20 0 GFADRO C[C@H](NC(=O)C(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1)c1cccc(Cl)c1Cl ZINC000502300301 564995357 /nfs/dbraw/zinc/99/53/57/564995357.db2.gz YMYJZGXEFAOFOL-SDDRHHMPSA-N 1 0 384.307 2.912 20 0 GFADRO CS[C@H]1CN(C(=O)CSc2ccc(C(F)(F)F)cn2)C[C@H]1[NH+](C)C ZINC000534827534 564997201 /nfs/dbraw/zinc/99/72/01/564997201.db2.gz NGLRPJOFSDGXDQ-NEPJUHHUSA-N 1 0 379.473 2.697 20 0 GFADRO CS[C@H]1CN(C(=O)Cc2ccc(F)c(Br)c2)C[C@@H]1[NH+](C)C ZINC000534829756 564998175 /nfs/dbraw/zinc/99/81/75/564998175.db2.gz TYTQEAZSWYKDKU-KBPBESRZSA-N 1 0 375.307 2.635 20 0 GFADRO O=C(Nc1ccc(I)cc1)N1CC[NH+](C2CCC2)CC1 ZINC000502650572 565002824 /nfs/dbraw/zinc/00/28/24/565002824.db2.gz WYZZBVNPSKMYHS-UHFFFAOYSA-N 1 0 385.249 2.993 20 0 GFADRO Cc1c(Br)cc(C(=O)NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)c(=O)n1C ZINC000469091369 565005557 /nfs/dbraw/zinc/00/55/57/565005557.db2.gz XBAASTRYEHDURD-XIKOKIGWSA-N 1 0 398.345 2.697 20 0 GFADRO C[C@@H]1CC[N@H+](C)CCN1C(=O)c1cn(-c2ccc(Br)cc2)cn1 ZINC000535157973 565006338 /nfs/dbraw/zinc/00/63/38/565006338.db2.gz SAUVJBFHDBJPMR-CYBMUJFWSA-N 1 0 377.286 2.801 20 0 GFADRO OCC[C@@H]1CCC[C@H]1[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000502868159 565007530 /nfs/dbraw/zinc/00/75/30/565007530.db2.gz HEBQPZYMVKZJDE-NJZAAPMLSA-N 1 0 392.721 2.983 20 0 GFADRO C[NH+](C)C1(CNS(=O)(=O)c2cc(F)c(Br)cc2F)CCCC1 ZINC000535249569 565008809 /nfs/dbraw/zinc/00/88/09/565008809.db2.gz YSJPNFSXVBXRJT-UHFFFAOYSA-N 1 0 397.285 2.880 20 0 GFADRO CC[NH+](CC)CC(=O)N[C@@H]1CCCN(c2ccc(Br)c(C)c2)C1=O ZINC000503057439 565010653 /nfs/dbraw/zinc/01/06/53/565010653.db2.gz CEDRZOVGVHJKMR-MRXNPFEDSA-N 1 0 396.329 2.711 20 0 GFADRO C[C@H]1C[C@H](NC(=O)C2(c3ccc(I)cc3)CC2)CC[N@@H+]1C ZINC000503005131 565010981 /nfs/dbraw/zinc/01/09/81/565010981.db2.gz XXKCANMBNYLJCQ-SWLSCSKDSA-N 1 0 398.288 2.922 20 0 GFADRO CS(=O)(=O)N[C@@H]1CCCC[C@@H]1C[NH2+]Cc1cc(O)cc(C(F)(F)F)c1 ZINC000562074428 565016908 /nfs/dbraw/zinc/01/69/08/565016908.db2.gz SEKPGSXAYOLUID-IUODEOHRSA-N 1 0 380.432 2.609 20 0 GFADRO CC[N@H+](CCOCCO)CC(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000503405634 565018607 /nfs/dbraw/zinc/01/86/07/565018607.db2.gz KACURZHNKODYHJ-QGZVFWFLSA-N 1 0 389.323 2.988 20 0 GFADRO C[N@@H+]1CCN(C(=O)c2ccc(-n3cc(Br)cn3)cc2)C(C)(C)C1 ZINC000535755489 565019255 /nfs/dbraw/zinc/01/92/55/565019255.db2.gz GHTVGRFLAYQTDG-UHFFFAOYSA-N 1 0 377.286 2.801 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)[C@@H]2CC(=O)Nc3ccc(Br)cc32)C1 ZINC000469548991 565019934 /nfs/dbraw/zinc/01/99/34/565019934.db2.gz FTGJUDINLXYREL-GZBFAFLISA-N 1 0 394.313 2.864 20 0 GFADRO CCO[C@H](CC[NH+](C)C)CNC(=O)c1ccc(Br)c2c1OCCC2 ZINC000469545146 565020124 /nfs/dbraw/zinc/02/01/24/565020124.db2.gz QFGGRNMARXUYPN-CYBMUJFWSA-N 1 0 399.329 2.861 20 0 GFADRO Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000562202309 565020556 /nfs/dbraw/zinc/02/05/56/565020556.db2.gz USARPYYYUITOQF-LBPRGKRZSA-N 1 0 378.826 2.997 20 0 GFADRO CC[NH+](CC)CC[C@@H](CO)NC(=O)C(C)(C)c1ccc(Br)cc1 ZINC000535836269 565022685 /nfs/dbraw/zinc/02/26/85/565022685.db2.gz OHNTYDNJRGEWHP-INIZCTEOSA-N 1 0 385.346 2.936 20 0 GFADRO CC[NH+](CC)CC[C@@H](CO)NC(=O)[C@H](C)c1ccc(Br)s1 ZINC000535835644 565022802 /nfs/dbraw/zinc/02/28/02/565022802.db2.gz HNUUCPHDEQTJPA-NEPJUHHUSA-N 1 0 377.348 2.823 20 0 GFADRO COc1ccc(CC[NH2+][C@@H](C)c2csc(C(C)C)n2)cc1S(N)(=O)=O ZINC000469772254 565026985 /nfs/dbraw/zinc/02/69/85/565026985.db2.gz KNXNKVSNDQDMIO-LBPRGKRZSA-N 1 0 383.539 2.816 20 0 GFADRO C[C@@H](c1cccc(N2CCCS2(=O)=O)c1)[N@H+](C)C[C@@H](O)CC(F)(F)F ZINC000469775257 565027293 /nfs/dbraw/zinc/02/72/93/565027293.db2.gz JVGXPZDQWFOIPG-WFASDCNBSA-N 1 0 380.432 2.533 20 0 GFADRO CO[C@H]1CCN(Cc2cc(Br)c3c(c2)OCCCO3)[C@H](C[NH3+])C1 ZINC000469879753 565030861 /nfs/dbraw/zinc/03/08/61/565030861.db2.gz HFOHKBJVXSVQBV-KBPBESRZSA-N 1 0 385.302 2.549 20 0 GFADRO CO[C@@H]1CCN(Cc2ccc(OC(F)F)c(Br)c2)[C@H](C[NH3+])C1 ZINC000469882704 565031060 /nfs/dbraw/zinc/03/10/60/565031060.db2.gz VTNPWHADDWGXKU-NWDGAFQWSA-N 1 0 379.245 2.989 20 0 GFADRO OCCOC1(C[NH2+][C@H]2CCCc3cc(Br)ccc32)CCOCC1 ZINC000503919252 565031476 /nfs/dbraw/zinc/03/14/76/565031476.db2.gz GACPCBKZVQQONM-KRWDZBQOSA-N 1 0 384.314 2.974 20 0 GFADRO CC(C)[NH+](CCN(C)S(=O)(=O)c1cc2c(cc1Cl)OCCO2)C(C)C ZINC000503986221 565032764 /nfs/dbraw/zinc/03/27/64/565032764.db2.gz ZNSWOXXSDMBGSY-UHFFFAOYSA-N 1 0 390.933 2.851 20 0 GFADRO COC(=O)[C@@H]1CC[N@H+](CC(=O)N[C@@H](C)c2ccc(Br)cc2)[C@@H]1C ZINC000470005088 565034534 /nfs/dbraw/zinc/03/45/34/565034534.db2.gz WIWANMZSOJDBMQ-YWPYICTPSA-N 1 0 383.286 2.510 20 0 GFADRO COC(=O)[C@H]1CC[N@H+](CCC(=O)Nc2ccc(Br)cc2F)[C@@H]1C ZINC000469999399 565034916 /nfs/dbraw/zinc/03/49/16/565034916.db2.gz APWPJADHXHFLKP-PWSUYJOCSA-N 1 0 387.249 2.800 20 0 GFADRO O=C(COc1ccc(Cl)cc1Cl)N1CC[NH+](C[C@@H]2CCCOC2)CC1 ZINC000469997523 565034987 /nfs/dbraw/zinc/03/49/87/565034987.db2.gz ABMDEIHCMSGXIA-AWEZNQCLSA-N 1 0 387.307 2.943 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1cccnc1-n1cc(Br)cn1 ZINC000562632291 565037010 /nfs/dbraw/zinc/03/70/10/565037010.db2.gz PDRMIKCVEYIXOM-CYBMUJFWSA-N 1 0 392.301 2.634 20 0 GFADRO C[C@@H](CO)[N@@H+]1CCCN(Cc2cnn(-c3ccc(Br)cc3)c2)CC1 ZINC000470137332 565038884 /nfs/dbraw/zinc/03/88/84/565038884.db2.gz SRZVDSBMWGZQRS-HNNXBMFYSA-N 1 0 393.329 2.523 20 0 GFADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@H](C)Cc1ccccc1Br ZINC000470178112 565040391 /nfs/dbraw/zinc/04/03/91/565040391.db2.gz XAQMUMYIWHOEDW-GDBMZVCRSA-N 1 0 398.345 2.790 20 0 GFADRO CC(=O)NCC[N@H+](CC[C@H]1CCOC1)Cc1ccc(Br)s1 ZINC000504546909 565041287 /nfs/dbraw/zinc/04/12/87/565041287.db2.gz PBTTZQXHVWEWJY-ZDUSSCGKSA-N 1 0 375.332 2.875 20 0 GFADRO O=S(=O)(CC[NH+]1CCCC1)N1CCC(c2nc(C(F)(F)F)cs2)CC1 ZINC000562739105 565041732 /nfs/dbraw/zinc/04/17/32/565041732.db2.gz XAQIELQKIDXKLU-UHFFFAOYSA-N 1 0 397.488 2.767 20 0 GFADRO COC1CC([NH2+]CC(C)(C)S(=O)(=O)c2ccc(Br)cc2)C1 ZINC000470240551 565041850 /nfs/dbraw/zinc/04/18/50/565041850.db2.gz WEVZLCCYBIQIAQ-UHFFFAOYSA-N 1 0 376.316 2.768 20 0 GFADRO CC(=O)N[C@H](CC(=O)N1CC[N@@H+](C)[C@H](C)[C@H]1C)c1ccc(Br)cc1 ZINC000536601315 565042818 /nfs/dbraw/zinc/04/28/18/565042818.db2.gz FKJWPJKYTUAANA-PBFPGSCMSA-N 1 0 396.329 2.567 20 0 GFADRO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@@H]1C[C@@H]2CCCCN2C1=O ZINC000562784413 565043120 /nfs/dbraw/zinc/04/31/20/565043120.db2.gz OKBHCIUFAIQFKP-UHOFOFEASA-N 1 0 394.313 2.909 20 0 GFADRO Cc1cc(C)c(NC(=O)N2CCC[N@@H+]([C@H](C)CO)CC2)c(Br)c1 ZINC000470415976 565045159 /nfs/dbraw/zinc/04/51/59/565045159.db2.gz VJUMLTHSNHHTMH-CQSZACIVSA-N 1 0 384.318 2.986 20 0 GFADRO COc1cc(Cl)c(CN2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)cc1Cl ZINC000536709796 565045976 /nfs/dbraw/zinc/04/59/76/565045976.db2.gz ODPPANKDRCXIOM-INIZCTEOSA-N 1 0 386.323 2.740 20 0 GFADRO C[NH+](C)CC(C)(C)CNC(=O)C1(c2cccc(Br)c2)CC(=O)C1 ZINC000536758027 565046607 /nfs/dbraw/zinc/04/66/07/565046607.db2.gz XAKQYTCYFWCLHN-UHFFFAOYSA-N 1 0 381.314 2.754 20 0 GFADRO O=C(CC(F)(F)F)N1CCC([NH2+]C2CCN(c3nccs3)CC2)CC1 ZINC000536870399 565048470 /nfs/dbraw/zinc/04/84/70/565048470.db2.gz OMAQAOKKVSJKFJ-UHFFFAOYSA-N 1 0 376.448 2.645 20 0 GFADRO O=C(NCC[N@H+]1CC=CCC1)C1(c2ccc(I)cc2)CC1 ZINC000505135398 565049262 /nfs/dbraw/zinc/04/92/62/565049262.db2.gz SOPGPVFRHKWANE-UHFFFAOYSA-N 1 0 396.272 2.701 20 0 GFADRO COc1ccc(Br)cc1CC(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2 ZINC000562976890 565050519 /nfs/dbraw/zinc/05/05/19/565050519.db2.gz YJGOHAJZWHRYPY-AWEZNQCLSA-N 1 0 390.281 2.850 20 0 GFADRO C[C@@H](O)C[N@@H+]1CCN(c2cc(C(F)(F)F)c(Br)cn2)[C@H](C)C1 ZINC000563038562 565052833 /nfs/dbraw/zinc/05/28/33/565052833.db2.gz MMJDUOCWVIFPON-NXEZZACHSA-N 1 0 382.224 2.754 20 0 GFADRO C[C@@H](CN(C)C(=O)[C@H]1C[N@@H+]2CCN1CCC2)Oc1ccc(Cl)c(Cl)c1 ZINC000470731095 565054267 /nfs/dbraw/zinc/05/42/67/565054267.db2.gz CACKCBQILIWBGB-SUMWQHHRSA-N 1 0 386.323 2.609 20 0 GFADRO CC[C@H]([NH2+]Cc1cc(=O)n2cc(Br)ccc2n1)C1CCOCC1 ZINC000537220936 565055113 /nfs/dbraw/zinc/05/51/13/565055113.db2.gz QSRDJCNAUHMUGU-HNNXBMFYSA-N 1 0 380.286 2.752 20 0 GFADRO Cc1cc(NC(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)cc(C)c1Br ZINC000563097064 565055169 /nfs/dbraw/zinc/05/51/69/565055169.db2.gz LWHNGPONGMKCPB-LBPRGKRZSA-N 1 0 378.274 2.662 20 0 GFADRO O=C(N[C@H]1C[NH2+]CCC1(F)F)c1cc(-c2ccc(Br)cc2)n[nH]1 ZINC000563116826 565055822 /nfs/dbraw/zinc/05/58/22/565055822.db2.gz NVWPLJDYPISTNB-ZDUSSCGKSA-N 1 0 385.212 2.566 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000563107170 565055826 /nfs/dbraw/zinc/05/58/26/565055826.db2.gz ACYQXDMCIRQPGW-BDJLRTHQSA-N 1 0 377.286 2.671 20 0 GFADRO C[C@H](Cn1cc(Br)cn1)[NH2+][C@H]1c2sccc2OC(C)(C)[C@@H]1O ZINC000563106294 565055938 /nfs/dbraw/zinc/05/59/38/565055938.db2.gz YCCWGKBJDPSXSE-LJWDBELGSA-N 1 0 386.315 2.958 20 0 GFADRO C[C@@H]([NH3+])C[C@H](C)NC(=O)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000584349070 565076907 /nfs/dbraw/zinc/07/69/07/565076907.db2.gz BAFAQLNMVLUYLT-NEPJUHHUSA-N 1 0 387.311 2.587 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)c1ccn(-c2ccc(Br)cc2)n1 ZINC000613664222 565077054 /nfs/dbraw/zinc/07/70/54/565077054.db2.gz ADIZQOBSTIDAOT-GDBMZVCRSA-N 1 0 377.286 2.847 20 0 GFADRO CC(=O)N1CCC[C@H](C[NH2+]C[C@@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000584465676 565081921 /nfs/dbraw/zinc/08/19/21/565081921.db2.gz VTIYEAOAFHBTPN-UKRRQHHQSA-N 1 0 375.296 2.581 20 0 GFADRO O=C(CCn1cc(Br)cn1)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000684795289 565083676 /nfs/dbraw/zinc/08/36/76/565083676.db2.gz DUDZNHHXRHGIDE-INIZCTEOSA-N 1 0 383.334 2.949 20 0 GFADRO CS[C@@H]1CN(c2nc(N(C)C)cc(C(F)(F)F)n2)C[C@@H]1[NH+]1CCCC1 ZINC000613916443 565086914 /nfs/dbraw/zinc/08/69/14/565086914.db2.gz QWGICWOOKSTBNT-NWDGAFQWSA-N 1 0 375.464 2.577 20 0 GFADRO CC(C)([NH3+])c1nocc1C(=O)N[C@@H]1COc2cc(F)c(Br)cc21 ZINC000584540269 565087007 /nfs/dbraw/zinc/08/70/07/565087007.db2.gz SIGXMMAMOGXGRV-LLVKDONJSA-N 1 0 384.205 2.634 20 0 GFADRO C[NH+](C)[C@@H]1C[C@H](NC(=O)c2cc(=O)c3cc(Br)ccc3[nH]2)C1(C)C ZINC000636093641 565089885 /nfs/dbraw/zinc/08/98/85/565089885.db2.gz XYOIJHVIHXJNRQ-JKSUJKDBSA-N 1 0 392.297 2.749 20 0 GFADRO O=C(Cc1noc2ccc(Br)cc12)N[C@H]1C[C@@H]([NH+]2CCCC2)C1 ZINC000636101201 565090398 /nfs/dbraw/zinc/09/03/98/565090398.db2.gz UDKJJDAFRQTNQT-BETUJISGSA-N 1 0 378.270 2.876 20 0 GFADRO O=C(N1CCN(c2cc[nH+]cc2)CC1)C1(c2cncc(Br)c2)CC1 ZINC000684949268 565090440 /nfs/dbraw/zinc/09/04/40/565090440.db2.gz PRZUGKZFCVBSGY-UHFFFAOYSA-N 1 0 387.281 2.620 20 0 GFADRO C[NH+](C)[C@@H]1CCCN(C(=O)c2cc(Br)cc3[nH]c(=O)[nH]c32)CC1 ZINC000614010268 565090604 /nfs/dbraw/zinc/09/06/04/565090604.db2.gz CZBYDMRDILPERM-LLVKDONJSA-N 1 0 381.274 2.587 20 0 GFADRO Cc1c(Br)cncc1C[NH2+]CCOc1ccc(S(C)(=O)=O)cc1 ZINC000657352592 565097492 /nfs/dbraw/zinc/09/74/92/565097492.db2.gz KLDXYHQPTBPZNB-UHFFFAOYSA-N 1 0 399.310 2.725 20 0 GFADRO Cc1c(Br)cncc1CNc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000657400139 565099444 /nfs/dbraw/zinc/09/94/44/565099444.db2.gz DZLJYPUKKASZEE-UHFFFAOYSA-N 1 0 376.302 2.911 20 0 GFADRO Cc1c(Br)cncc1C[NH2+]C[C@@H](Cc1ccc(F)cc1)C(N)=O ZINC000657422397 565099560 /nfs/dbraw/zinc/09/95/60/565099560.db2.gz PAQQZDSCAAUKMG-CYBMUJFWSA-N 1 0 380.261 2.725 20 0 GFADRO O[C@H]1CC[N@H+](Cc2ccccc2CNCc2c(F)cncc2Br)C1 ZINC000657432433 565100100 /nfs/dbraw/zinc/10/01/00/565100100.db2.gz NSOWMELQEYBXON-HNNXBMFYSA-N 1 0 394.288 2.840 20 0 GFADRO Cc1ncsc1-c1ccc(C[NH2+]C[C@@H]2CCC[C@H]2NS(C)(=O)=O)cc1 ZINC000657394880 565100156 /nfs/dbraw/zinc/10/01/56/565100156.db2.gz POELRACIBUWZSG-DLBZAZTESA-N 1 0 379.551 2.926 20 0 GFADRO CC1CC[NH+]([C@H](CNS(=O)(=O)[C@@H]2CCOC[C@@H]2C)c2cccs2)CC1 ZINC000685290285 565103283 /nfs/dbraw/zinc/10/32/83/565103283.db2.gz VPTXBUWEBJLKDC-LZLYRXPVSA-N 1 0 386.583 2.866 20 0 GFADRO COc1ccc(C[C@H](CO)C[NH2+]Cc2cnc3n2CCC3)cc1Br ZINC000657484341 565103547 /nfs/dbraw/zinc/10/35/47/565103547.db2.gz SGDDRWJDAPKGIG-AWEZNQCLSA-N 1 0 394.313 2.541 20 0 GFADRO COC[C@@H](C)Oc1ccc(C[NH2+]CCn2cc(Br)ccc2=O)cc1 ZINC000657477155 565103593 /nfs/dbraw/zinc/10/35/93/565103593.db2.gz IIYWLVHFTGQBJK-CQSZACIVSA-N 1 0 395.297 2.814 20 0 GFADRO CC(=O)Nc1cccc([C@@H](C)[NH2+]Cc2ccc(Cl)c(S(N)(=O)=O)c2)c1 ZINC000685325422 565104395 /nfs/dbraw/zinc/10/43/95/565104395.db2.gz ZHIFZPHCOHXPCQ-LLVKDONJSA-N 1 0 381.885 2.797 20 0 GFADRO COCCc1ccc(OC[C@H](O)C[NH2+]Cc2ccc(Br)cn2)cc1 ZINC000657532734 565106068 /nfs/dbraw/zinc/10/60/68/565106068.db2.gz ZNPREURASNNVGW-QGZVFWFLSA-N 1 0 395.297 2.563 20 0 GFADRO C[NH+](C)CCN(Cc1cc(Br)cc2c1OCC2)C[C@@H]1CCCO1 ZINC000685455763 565107840 /nfs/dbraw/zinc/10/78/40/565107840.db2.gz LNUMIEXDMMYWKG-KRWDZBQOSA-N 1 0 383.330 2.927 20 0 GFADRO C[N@@H+](Cc1cc(Br)cc(Br)c1N)C[C@H](O)C1CC1 ZINC000685460728 565108068 /nfs/dbraw/zinc/10/80/68/565108068.db2.gz DFNLTSVFLDMVNN-LBPRGKRZSA-N 1 0 378.108 2.997 20 0 GFADRO O=C(c1cccc(Br)c1F)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000614436131 565111624 /nfs/dbraw/zinc/11/16/24/565111624.db2.gz PADNQMRKYJBWFS-ZDUSSCGKSA-N 1 0 385.277 2.915 20 0 GFADRO CC[NH+](CC)CCS(=O)(=O)N1CCc2sc(Br)cc2C1 ZINC000685595041 565114591 /nfs/dbraw/zinc/11/45/91/565114591.db2.gz TVIPGAQHCMOBJU-UHFFFAOYSA-N 1 0 381.361 2.540 20 0 GFADRO COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)N(C)CCCC[NH+](C)C ZINC000586761217 565114935 /nfs/dbraw/zinc/11/49/35/565114935.db2.gz GYRRKHVWEMZXGN-UHFFFAOYSA-N 1 0 397.324 2.742 20 0 GFADRO O=C(NC[C@H]1C[N@@H+]2CCN1CCC2)c1cnc(-c2cccc(Cl)c2)s1 ZINC000614514354 565116572 /nfs/dbraw/zinc/11/65/72/565116572.db2.gz NAKYKMRKGIOOME-HNNXBMFYSA-N 1 0 376.913 2.583 20 0 GFADRO Cc1cc2c(o1)c(C(=O)NC[C@H]1C[N@@H+]3CCN1CCC3)ccc2Br ZINC000614503889 565116732 /nfs/dbraw/zinc/11/67/32/565116732.db2.gz SMIKKPLLIFRDMI-ZDUSSCGKSA-N 1 0 392.297 2.623 20 0 GFADRO CSc1cc(Cl)ccc1NC(=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000657667560 565117923 /nfs/dbraw/zinc/11/79/23/565117923.db2.gz SDKOHDOMRSLDKT-CYBMUJFWSA-N 1 0 381.929 2.945 20 0 GFADRO C[C@@H](NC(=O)NCC1CC[NH+](Cc2cccs2)CC1)[C@@H](O)C(F)(F)F ZINC000636676835 565119964 /nfs/dbraw/zinc/11/99/64/565119964.db2.gz CXEIWACLUGUPQM-BXUZGUMPSA-N 1 0 379.448 2.571 20 0 GFADRO CSc1cc(Cl)ccc1NC(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000657700589 565120461 /nfs/dbraw/zinc/12/04/61/565120461.db2.gz YSLIJNGSNYUWCL-INIZCTEOSA-N 1 0 387.958 2.554 20 0 GFADRO O=C(CCn1cc(Br)cn1)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000614579464 565120623 /nfs/dbraw/zinc/12/06/23/565120623.db2.gz CHKPUBJKWJXPLM-KRWDZBQOSA-N 1 0 391.313 2.989 20 0 GFADRO C[C@@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH2+]C[C@@H]1CCC(=O)N1 ZINC000657711219 565122473 /nfs/dbraw/zinc/12/24/73/565122473.db2.gz JPMRGIWNTSZCTD-ONGXEEELSA-N 1 0 377.794 2.944 20 0 GFADRO CC(C)(C(=O)NCCCC[NH+]1CCOCC1)c1cccc(Br)c1 ZINC000588085595 565124729 /nfs/dbraw/zinc/12/47/29/565124729.db2.gz LFMHQWPWKLITGL-UHFFFAOYSA-N 1 0 383.330 2.955 20 0 GFADRO C[NH+](C)C[C@H](Cc1ccccc1)NS(=O)(=O)c1cccc(Br)c1 ZINC000614633132 565125101 /nfs/dbraw/zinc/12/51/01/565125101.db2.gz JXKPNYVHLWGWMB-INIZCTEOSA-N 1 0 397.338 2.900 20 0 GFADRO CNC(=O)CC1(C[NH2+]Cc2c(Cl)cccc2S(C)(=O)=O)CCCCC1 ZINC000657762035 565127360 /nfs/dbraw/zinc/12/73/60/565127360.db2.gz DGBGAZIKSLDGCE-UHFFFAOYSA-N 1 0 386.945 2.920 20 0 GFADRO CS[C@H]1CN(S(=O)(=O)c2c(Cl)ccc(F)c2F)C[C@H]1[NH+]1CCCC1 ZINC000588130587 565127447 /nfs/dbraw/zinc/12/74/47/565127447.db2.gz ZJSNRAZKEMZSAO-OLZOCXBDSA-N 1 0 396.912 2.819 20 0 GFADRO CCc1nnc(CNC(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)s1 ZINC000685932875 565132485 /nfs/dbraw/zinc/13/24/85/565132485.db2.gz ILILBIKJIDXADM-CYBMUJFWSA-N 1 0 379.555 2.873 20 0 GFADRO C[NH+](C)C[C@@H](NC(=O)NCCCn1ccnn1)c1ccc(Cl)c(Cl)c1 ZINC000637037573 565136290 /nfs/dbraw/zinc/13/62/90/565136290.db2.gz HZOTUXSYAJBTFB-OAHLLOKOSA-N 1 0 385.299 2.577 20 0 GFADRO COc1cc(F)c(S(=O)(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)c(F)c1 ZINC000588678476 565137495 /nfs/dbraw/zinc/13/74/95/565137495.db2.gz GYJUBCJHRPKCAQ-CHWSQXEVSA-N 1 0 376.469 2.620 20 0 GFADRO C[C@@H]([NH2+]C[C@H](O)CS(=O)(=O)c1cccs1)c1cc2ccncc2s1 ZINC000657929968 565138079 /nfs/dbraw/zinc/13/80/79/565138079.db2.gz HQSRZUPLGYSAAZ-YPMHNXCESA-N 1 0 382.532 2.843 20 0 GFADRO CC[C@H](Cc1ccc(Br)cc1)[NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000657930141 565138595 /nfs/dbraw/zinc/13/85/95/565138595.db2.gz AGQJNWGWHFTGAI-GOEBONIOSA-N 1 0 389.359 2.641 20 0 GFADRO C[NH+](C)C1(C(=O)N(CCc2ccc(Cl)cc2)C[C@@H](O)C(F)(F)F)CC1 ZINC000614942058 565138801 /nfs/dbraw/zinc/13/88/01/565138801.db2.gz DDJPMLLHCBBGES-CQSZACIVSA-N 1 0 378.822 2.729 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)[C@@H]1CSCN1C(=O)C1CCCC1)c1ccsc1 ZINC000588750235 565139720 /nfs/dbraw/zinc/13/97/20/565139720.db2.gz JFQSCSLJGSOMPP-HOTGVXAUSA-N 1 0 381.567 2.559 20 0 GFADRO C[C@H](C1CC1)[N@H+](C)CCC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1Cl ZINC000637189108 565143817 /nfs/dbraw/zinc/14/38/17/565143817.db2.gz HIOIDGFIGDQPRZ-GFCCVEGCSA-N 1 0 387.933 2.649 20 0 GFADRO O=S(=O)(NCC[NH2+][C@@H]1CCCn2nccc21)c1cccc(Cl)c1Cl ZINC000658009143 565144863 /nfs/dbraw/zinc/14/48/63/565144863.db2.gz BQYRILUEGDBXQT-GFCCVEGCSA-N 1 0 389.308 2.593 20 0 GFADRO COC(=O)[C@](C)(O)C[NH2+][C@H](CC(F)(F)F)c1ccc(Br)cc1 ZINC000588967489 565145079 /nfs/dbraw/zinc/14/50/79/565145079.db2.gz WBGRKBGTAWUKIF-DGCLKSJQSA-N 1 0 384.192 2.956 20 0 GFADRO C[C@@H]1COCC[N@@H+]1C1CCN(C(=O)c2ccc(F)c(Br)c2)CC1 ZINC000615090869 565145506 /nfs/dbraw/zinc/14/55/06/565145506.db2.gz WPQGGKNRTOHJQW-GFCCVEGCSA-N 1 0 385.277 2.914 20 0 GFADRO O=C(NC[C@H]1CCC[NH2+]C1)N1CCO[C@H](c2cccc(Br)c2)C1 ZINC000637227164 565145826 /nfs/dbraw/zinc/14/58/26/565145826.db2.gz PDBXHMHEIWCKJK-BBRMVZONSA-N 1 0 382.302 2.532 20 0 GFADRO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CC[C@H](Oc2cncc(Br)c2)C1 ZINC000615125925 565146512 /nfs/dbraw/zinc/14/65/12/565146512.db2.gz DCHYHBUXVMSKBH-NFAWXSAZSA-N 1 0 382.302 2.697 20 0 GFADRO C[C@@H](Cc1ccc(Cl)c(C(F)(F)F)c1)[NH2+][C@H]1CCN(S(C)(=O)=O)C1 ZINC000658047059 565148345 /nfs/dbraw/zinc/14/83/45/565148345.db2.gz ORMOIOMIFUSCHO-JQWIXIFHSA-N 1 0 384.851 2.913 20 0 GFADRO CCO[C@@H]1C[C@@H]([NH2+]CCNC(=O)c2ccc(Br)cn2)C12CCC2 ZINC000658092255 565148933 /nfs/dbraw/zinc/14/89/33/565148933.db2.gz LEDTYPCGYLTPJG-HUUCEWRRSA-N 1 0 382.302 2.511 20 0 GFADRO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)c2cc(Br)cc(N3CCCC3)c2)C1 ZINC000615181591 565149847 /nfs/dbraw/zinc/14/98/47/565149847.db2.gz BRQWJLFDLTWIPQ-GUYCJALGSA-N 1 0 378.314 2.825 20 0 GFADRO C[N@@H+]1C[C@@H]2CCN(C(=O)c3cc(-c4cccc(Br)c4)no3)[C@@H]2C1 ZINC000615182104 565149872 /nfs/dbraw/zinc/14/98/72/565149872.db2.gz GDWXIDSHCUNXGQ-SWLSCSKDSA-N 1 0 376.254 2.880 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)C(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C ZINC000658124498 565151568 /nfs/dbraw/zinc/15/15/68/565151568.db2.gz BWNFMZDISRYVFD-CQSZACIVSA-N 1 0 396.329 2.939 20 0 GFADRO OCCO[C@@]1(C[NH2+][C@@H]2CCCCc3ccc(Br)cc32)CCOC1 ZINC000658144000 565153650 /nfs/dbraw/zinc/15/36/50/565153650.db2.gz JWIXNELGFMBKTB-QZTJIDSGSA-N 1 0 384.314 2.974 20 0 GFADRO C[N@@H+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)CCc1cccc(F)c1Br ZINC000615268205 565154131 /nfs/dbraw/zinc/15/41/31/565154131.db2.gz URZODHWGZGIWCK-CVEARBPZSA-N 1 0 399.304 2.842 20 0 GFADRO C[N@@H+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)c1cc2cc(Br)sc2[nH]1 ZINC000615267861 565154842 /nfs/dbraw/zinc/15/48/42/565154842.db2.gz ZRMZNEMSAIKCTK-OLZOCXBDSA-N 1 0 398.326 2.927 20 0 GFADRO CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+]CCO[C@@H]2CC2(F)F)cc1 ZINC000658165522 565155004 /nfs/dbraw/zinc/15/50/04/565155004.db2.gz KWMLYHBXFATDCU-CZUORRHYSA-N 1 0 376.469 2.792 20 0 GFADRO COc1cc(C)c(Br)cc1C(=O)N1CCOC[C@H]1[C@H]1CCC[N@@H+]1C ZINC000615264183 565155422 /nfs/dbraw/zinc/15/54/22/565155422.db2.gz COSXFAXCEIOBOR-CVEARBPZSA-N 1 0 397.313 2.701 20 0 GFADRO C[C@@H](Cn1cc(Br)ccc1=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000658228733 565156452 /nfs/dbraw/zinc/15/64/52/565156452.db2.gz LRYYWFPDKIOEFH-GOEBONIOSA-N 1 0 382.346 2.996 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2cccc(Br)c2F)C1 ZINC000658264626 565157216 /nfs/dbraw/zinc/15/72/16/565157216.db2.gz KVNJYQZSDILNOV-SNVBAGLBSA-N 1 0 386.265 2.516 20 0 GFADRO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1cn(Cc2ccc(Cl)cc2Cl)nn1 ZINC000615317320 565157510 /nfs/dbraw/zinc/15/75/10/565157510.db2.gz BUJHLNPYSPQCEU-BZNIZROVSA-N 1 0 382.295 2.798 20 0 GFADRO COc1ccc(Br)cc1C(=O)CCC(=O)N1CC[C@H]([NH+](C)C)[C@@H]1C ZINC000615311223 565157895 /nfs/dbraw/zinc/15/78/95/565157895.db2.gz HLZDYZROWVKIRL-WFASDCNBSA-N 1 0 397.313 2.972 20 0 GFADRO Cc1cc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)cc(C)c1Br ZINC000658263475 565158109 /nfs/dbraw/zinc/15/81/09/565158109.db2.gz KANSMGCEVPITRX-CYBMUJFWSA-N 1 0 396.329 2.993 20 0 GFADRO C[NH+](C)C[C@@H](NC(=O)N1CC[C@](F)(CO)C1)c1ccc(Cl)c(Cl)c1 ZINC000637471721 565158274 /nfs/dbraw/zinc/15/82/74/565158274.db2.gz CDGGRANXNDQVRR-GDBMZVCRSA-N 1 0 378.275 2.712 20 0 GFADRO CN(Cc1nncn1C)C(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000637475778 565158441 /nfs/dbraw/zinc/15/84/41/565158441.db2.gz WSBYWTPCWGOERJ-AWEZNQCLSA-N 1 0 385.299 2.566 20 0 GFADRO C[NH+](C)C[C@H](NC(=O)N1CC[C@@](C)(C(N)=O)C1)c1ccc(Cl)c(Cl)c1 ZINC000637472695 565158914 /nfs/dbraw/zinc/15/89/14/565158914.db2.gz HGAWFQOQAWSQCI-WMLDXEAASA-N 1 0 387.311 2.503 20 0 GFADRO CCN(C(=O)C(=O)Nc1c(C)cc(Br)cc1C)[C@@H]1CC[N@H+](C)C1 ZINC000658356043 565159760 /nfs/dbraw/zinc/15/97/60/565159760.db2.gz GLZGXDOKRDQQBE-CQSZACIVSA-N 1 0 382.302 2.557 20 0 GFADRO C[NH+](C)C1CCC2(CC1)CCN(C(=O)c1csc(S(C)(=O)=O)c1)CC2 ZINC000615443810 565161267 /nfs/dbraw/zinc/16/12/67/565161267.db2.gz ONBZHXBDFPIKDT-UHFFFAOYSA-N 1 0 384.567 2.878 20 0 GFADRO [NH3+]C[C@H](NS(=O)(=O)Cc1cc(F)ccc1Br)C1CCCCC1 ZINC000658366758 565162913 /nfs/dbraw/zinc/16/29/13/565162913.db2.gz DNLNGBIGCQKRCU-HNNXBMFYSA-N 1 0 393.322 2.915 20 0 GFADRO [NH3+]C[C@H]1CC[C@H](CNS(=O)(=O)Cc2cc(F)ccc2Br)CC1 ZINC000658379152 565164782 /nfs/dbraw/zinc/16/47/82/565164782.db2.gz MEQIRRSCLGDUBV-HAQNSBGRSA-N 1 0 393.322 2.773 20 0 GFADRO CCCOc1ccc(Br)cc1S(=O)(=O)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000658377497 565164871 /nfs/dbraw/zinc/16/48/71/565164871.db2.gz GVXWOWSMCJNGES-YPMHNXCESA-N 1 0 391.331 2.657 20 0 GFADRO C[C@@H]1C[C@H](C)N(S(=O)(=O)Cc2cc(F)ccc2Br)C[C@H]1C[NH3+] ZINC000658382762 565166142 /nfs/dbraw/zinc/16/61/42/565166142.db2.gz GVSGEIHXGGPBQV-NTZNESFSSA-N 1 0 393.322 2.723 20 0 GFADRO COCc1cc(Cl)cc(S(=O)(=O)N2CCC([C@@H]3CCC[NH2+]C3)CC2)c1 ZINC000658385994 565166778 /nfs/dbraw/zinc/16/67/78/565166778.db2.gz YAVPLJQYVQAEBQ-MRXNPFEDSA-N 1 0 386.945 2.887 20 0 GFADRO COc1cc(S(=O)(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)ccc1Cl ZINC000658391676 565167119 /nfs/dbraw/zinc/16/71/19/565167119.db2.gz VDUUVCRZBXCBHX-NVXWUHKLSA-N 1 0 380.897 2.773 20 0 GFADRO O=S(=O)(c1ccc(Br)cc1)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000658387349 565167122 /nfs/dbraw/zinc/16/71/22/565167122.db2.gz PHNSCHZNRGYNBH-CQSZACIVSA-N 1 0 387.343 2.849 20 0 GFADRO Cc1cc(Br)sc1S(=O)(=O)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000658402386 565167964 /nfs/dbraw/zinc/16/79/64/565167964.db2.gz NBOFNUFCJRFXES-SNVBAGLBSA-N 1 0 379.345 2.772 20 0 GFADRO C[C@@H](CCNC(=O)C(=O)N[C@@H](c1ccc(Cl)cc1)C(F)(F)F)[NH+](C)C ZINC000658426998 565169142 /nfs/dbraw/zinc/16/91/42/565169142.db2.gz IAKHCULVXJSIHN-GWCFXTLKSA-N 1 0 379.810 2.516 20 0 GFADRO CCN(C(=O)C(=O)Nc1cc(C)c(Br)c(C)c1)[C@H]1CC[N@H+](CC)C1 ZINC000658468734 565171082 /nfs/dbraw/zinc/17/10/82/565171082.db2.gz WLKJXNIPKXFVLF-HNNXBMFYSA-N 1 0 396.329 2.947 20 0 GFADRO COC(=O)c1cc(Br)cc(C(=O)N[C@H](C)C2CC[NH+](C)CC2)c1 ZINC000589795551 565171737 /nfs/dbraw/zinc/17/17/37/565171737.db2.gz HEIQREMRZITINN-LLVKDONJSA-N 1 0 383.286 2.696 20 0 GFADRO Cc1cc(Br)c(C(=O)N2CC[C@H](C[NH3+])C2)cc1Br ZINC000637824466 565174390 /nfs/dbraw/zinc/17/43/90/565174390.db2.gz ZRZZRDPFUQMALE-SECBINFHSA-N 1 0 376.092 2.941 20 0 GFADRO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000658502971 565174694 /nfs/dbraw/zinc/17/46/94/565174694.db2.gz WPTDPNAKIUTCFV-HNNXBMFYSA-N 1 0 386.323 2.941 20 0 GFADRO O=C(NCc1ccc(Cl)c(Cl)c1)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000658501259 565174799 /nfs/dbraw/zinc/17/47/99/565174799.db2.gz RFSMRGKAVHRGLE-AWEZNQCLSA-N 1 0 384.307 2.696 20 0 GFADRO O=C(NCc1ccc(Cl)cc1Cl)c1nnn([C@@H]2CC[NH2+]C2)c1C(F)F ZINC000637873912 565175661 /nfs/dbraw/zinc/17/56/61/565175661.db2.gz HQELTFRPBNEFOX-SNVBAGLBSA-N 1 0 390.221 2.987 20 0 GFADRO C[N@@H+]1C[C@H]2CCN(C(=O)c3ccc(I)cc3Cl)[C@@H]2C1 ZINC000590044668 565175918 /nfs/dbraw/zinc/17/59/18/565175918.db2.gz LQELQPIJCWSATE-NOZJJQNGSA-N 1 0 390.652 2.721 20 0 GFADRO [NH3+][C@H]1CC=C(C(=O)NCC2(c3cccc(Br)c3)CCOCC2)C1 ZINC000637938848 565176845 /nfs/dbraw/zinc/17/68/45/565176845.db2.gz YYSCOUVHDMKBME-INIZCTEOSA-N 1 0 379.298 2.661 20 0 GFADRO C[N@@H+](Cc1ccccc1)C[C@@H](N)C(=O)NCc1csc(Br)c1 ZINC000637934587 565176940 /nfs/dbraw/zinc/17/69/40/565176940.db2.gz JVKTVZZNBUGFGV-CQSZACIVSA-N 1 0 382.327 2.586 20 0 GFADRO CCOc1cc(Br)c(NC(=O)c2cnc(C[NH3+])nc2)cc1OCC ZINC000637943662 565177276 /nfs/dbraw/zinc/17/72/76/565177276.db2.gz HSOVFTKHMONUNP-UHFFFAOYSA-N 1 0 395.257 2.748 20 0 GFADRO CC[NH2+][C@@H](C)C(=O)Nc1cc(Cl)c(NC(=O)c2cnccn2)c(Cl)c1 ZINC000638003998 565179930 /nfs/dbraw/zinc/17/99/30/565179930.db2.gz NNJNDESKKYPKLQ-VIFPVBQESA-N 1 0 382.251 2.972 20 0 GFADRO Cc1cc(C[NH3+])oc1C(=O)N[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000638097798 565185170 /nfs/dbraw/zinc/18/51/70/565185170.db2.gz GJDQJJWOOPOKJJ-CYBMUJFWSA-N 1 0 378.270 2.818 20 0 GFADRO C[NH+]1CCC2(CCN(C(=O)c3ccccc3I)C2)CC1 ZINC000590374797 565185671 /nfs/dbraw/zinc/18/56/71/565185671.db2.gz BWNNZXDDDLXPSU-UHFFFAOYSA-N 1 0 384.261 2.849 20 0 GFADRO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)c1cc(F)ccc1I ZINC000590403221 565187246 /nfs/dbraw/zinc/18/72/46/565187246.db2.gz JNUJKXHGIHSFPU-NOZJJQNGSA-N 1 0 376.213 2.595 20 0 GFADRO O=C(c1cc2cc(Br)ccc2s1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000638237358 565188937 /nfs/dbraw/zinc/18/89/37/565188937.db2.gz RGOCTYDBVPVECQ-CQSZACIVSA-N 1 0 394.338 2.784 20 0 GFADRO Cc1cc(Br)c(F)c(C(=O)N2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)c1 ZINC000638260014 565190182 /nfs/dbraw/zinc/19/01/82/565190182.db2.gz MRCOEDCRIZCQBU-ZBFHGGJFSA-N 1 0 385.277 2.865 20 0 GFADRO Brc1cnc2c(C[NH2+]CCc3ccc4c(c3)OCCO4)cnn2c1 ZINC000638296012 565191125 /nfs/dbraw/zinc/19/11/25/565191125.db2.gz CATJZSHJZJAYDJ-UHFFFAOYSA-N 1 0 389.253 2.595 20 0 GFADRO CN(C(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000638308709 565191220 /nfs/dbraw/zinc/19/12/20/565191220.db2.gz VPRKYFKURSIEKA-QQSAURLYSA-N 1 0 384.307 2.876 20 0 GFADRO [NH3+]Cc1ncc(C(=O)N2CCC(c3cccc(Br)c3)CC2)cn1 ZINC000638302441 565191356 /nfs/dbraw/zinc/19/13/56/565191356.db2.gz QAGFDJYSERCQKI-UHFFFAOYSA-N 1 0 375.270 2.718 20 0 GFADRO CO[C@@H]1C[NH2+][C@@](C)(C(=O)N2CCC(Oc3cccc(Br)c3)CC2)C1 ZINC000638300531 565191702 /nfs/dbraw/zinc/19/17/02/565191702.db2.gz HCLXOILLPAFADC-FUHWJXTLSA-N 1 0 397.313 2.586 20 0 GFADRO Brc1cnc2c(C[NH2+]CCN3CCc4ccccc4C3)cnn2c1 ZINC000638326625 565192141 /nfs/dbraw/zinc/19/21/41/565192141.db2.gz NIOGOZCWBOTWET-UHFFFAOYSA-N 1 0 386.297 2.640 20 0 GFADRO C[C@H](Cc1cccc(Br)c1)[NH2+]Cc1ccc(S(N)(=O)=O)s1 ZINC000638417422 565195330 /nfs/dbraw/zinc/19/53/30/565195330.db2.gz GHHKQIRVVIZXEK-SNVBAGLBSA-N 1 0 389.340 2.879 20 0 GFADRO O=C(NCc1ccc(Cl)c(Cl)c1)c1nnn([C@@H]2CC[NH2+]C2)c1C(F)F ZINC000638414137 565195777 /nfs/dbraw/zinc/19/57/77/565195777.db2.gz CJYJNJQMFYGETP-SECBINFHSA-N 1 0 390.221 2.987 20 0 GFADRO O=C(c1[nH]nc(C2CC2)c1Br)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000658957816 565195925 /nfs/dbraw/zinc/19/59/25/565195925.db2.gz MBWVXOYPNAQKPU-ZDUSSCGKSA-N 1 0 381.318 2.901 20 0 GFADRO [NH3+]Cc1ncc(C(=O)N[C@@H]2CCCCc3cc(Br)ccc32)cn1 ZINC000638431909 565196644 /nfs/dbraw/zinc/19/66/44/565196644.db2.gz WPFOHLCFCCKLCV-OAHLLOKOSA-N 1 0 375.270 2.895 20 0 GFADRO [NH3+]Cc1ncc(C(=O)N[C@H]2CCCCc3cc(Br)ccc32)cn1 ZINC000638431908 565197063 /nfs/dbraw/zinc/19/70/63/565197063.db2.gz WPFOHLCFCCKLCV-HNNXBMFYSA-N 1 0 375.270 2.895 20 0 GFADRO COCC[C@@H](Cc1cccc(Br)c1)C(=O)N1CC[C@@H](C)[C@@H]([NH3+])C1 ZINC000658971571 565197115 /nfs/dbraw/zinc/19/71/15/565197115.db2.gz WJKALMRDHPNRIV-KMFMINBZSA-N 1 0 383.330 2.840 20 0 GFADRO C[C@@H]1CCN(C(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)C[C@@H]1[NH3+] ZINC000658972822 565197183 /nfs/dbraw/zinc/19/71/83/565197183.db2.gz FKJUEIKVTIMPJK-RLCCDNCMSA-N 1 0 384.307 2.794 20 0 GFADRO Cc1c(C(=O)N2CC[C@@H](C)[C@@H]([NH3+])C2)cnn1-c1ccc(Br)cc1 ZINC000658973068 565197315 /nfs/dbraw/zinc/19/73/15/565197315.db2.gz FXVCSALZWLIJLD-BZNIZROVSA-N 1 0 377.286 2.753 20 0 GFADRO CC(C)[C@H]1C[NH2+]CCN1C(=O)c1cc(=O)[nH]c2c(Br)cccc12 ZINC000638489509 565198051 /nfs/dbraw/zinc/19/80/51/565198051.db2.gz MFIUWGRGBUYYRF-CQSZACIVSA-N 1 0 378.270 2.773 20 0 GFADRO COc1cc(NC(=O)N2CCO[C@H]([C@@H](C)[NH3+])C2)c(Cl)cc1Br ZINC000659046852 565199412 /nfs/dbraw/zinc/19/94/12/565199412.db2.gz BUDSEHLAXAEHQV-OQPBUACISA-N 1 0 392.681 2.691 20 0 GFADRO Cc1nccc(NC(=O)N2CCC[C@@H](C3CC[NH2+]CC3)C2)c1Br ZINC000659010011 565199610 /nfs/dbraw/zinc/19/96/10/565199610.db2.gz FTIBLDMUCFBDJA-CQSZACIVSA-N 1 0 381.318 2.818 20 0 GFADRO Cc1cc(Br)c(Cl)cc1NC(=O)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000659085738 565200359 /nfs/dbraw/zinc/20/03/59/565200359.db2.gz NJEFOFXVXJRSGP-NXEZZACHSA-N 1 0 388.693 2.736 20 0 GFADRO COc1ccc(Br)c(C(=O)NCCC[NH2+]C[C@H](OC)C2CC2)c1 ZINC000638523875 565200485 /nfs/dbraw/zinc/20/04/85/565200485.db2.gz JMQXKJHJYSQOSN-INIZCTEOSA-N 1 0 385.302 2.592 20 0 GFADRO CCN(CC)S(=O)(=O)c1ccc(CC[NH2+]C2CC(n3cccn3)C2)s1 ZINC000638532103 565200515 /nfs/dbraw/zinc/20/05/15/565200515.db2.gz KZBFWPFKGZAKJX-UHFFFAOYSA-N 1 0 382.555 2.511 20 0 GFADRO COc1cc(C[NH2+]CCOc2ccc(S(C)(=O)=O)cc2)c(Cl)cc1O ZINC000638526514 565200903 /nfs/dbraw/zinc/20/09/03/565200903.db2.gz LQBRIFBAYUSBSJ-UHFFFAOYSA-N 1 0 385.869 2.626 20 0 GFADRO Cc1cc(Br)c(Cl)cc1NC(=O)C(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000659087439 565201302 /nfs/dbraw/zinc/20/13/02/565201302.db2.gz RPVMMBPYQJDPTC-VHSXEESVSA-N 1 0 388.693 2.593 20 0 GFADRO Cc1cc(Br)c(Cl)cc1NC(=O)C(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000659086436 565201694 /nfs/dbraw/zinc/20/16/94/565201694.db2.gz WJJQXFHARCPWLG-NXEZZACHSA-N 1 0 388.693 2.606 20 0 GFADRO C[NH2+]Cc1ccc(NC(=O)C(=O)NCc2sc(C)cc2Br)cc1 ZINC000659103567 565201775 /nfs/dbraw/zinc/20/17/75/565201775.db2.gz QAQWXDQSTDDKQM-UHFFFAOYSA-N 1 0 396.310 2.793 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)Cc2ccccc2Br)CC[C@H]1C(F)(F)F ZINC000638547272 565201732 /nfs/dbraw/zinc/20/17/32/565201732.db2.gz AJZHKZXVNKWISL-VXGBXAGGSA-N 1 0 379.220 2.977 20 0 GFADRO COc1ccccc1SC[C@@H](C)C[NH2+]Cc1ccc(S(N)(=O)=O)cc1 ZINC000638545447 565201804 /nfs/dbraw/zinc/20/18/04/565201804.db2.gz UCKUFTPOHSKAKX-AWEZNQCLSA-N 1 0 380.535 2.861 20 0 GFADRO C[C@H]([NH2+]CCC1CS(=O)(=O)C1)c1ccc(F)c(I)c1 ZINC000590778470 565203684 /nfs/dbraw/zinc/20/36/84/565203684.db2.gz LJNGEMKOSVSQDV-VIFPVBQESA-N 1 0 397.253 2.516 20 0 GFADRO CC[C@@H]([NH2+]CCN1CCC(O)CC1)c1ccc(I)cc1 ZINC000590780047 565203744 /nfs/dbraw/zinc/20/37/44/565203744.db2.gz AMYNYJNAJKYHRG-MRXNPFEDSA-N 1 0 388.293 2.789 20 0 GFADRO Cc1ccc([C@H]2OCCC[C@H]2C[NH2+]Cc2ccc(S(N)(=O)=O)s2)cc1 ZINC000638692093 565206371 /nfs/dbraw/zinc/20/63/71/565206371.db2.gz DAASJUQVQUPFBF-MAUKXSAKSA-N 1 0 380.535 2.961 20 0 GFADRO Cc1cc(Br)c(C(=O)NCCOCCC[NH3+])cc1Br ZINC000638662835 565207069 /nfs/dbraw/zinc/20/70/69/565207069.db2.gz FSIPMCKOEYSHAP-UHFFFAOYSA-N 1 0 394.107 2.615 20 0 GFADRO Brc1ccc(C[NH2+]C2CC(n3cccn3)C2)c(N2CCOCC2)c1 ZINC000638761643 565209105 /nfs/dbraw/zinc/20/91/05/565209105.db2.gz HABAXCLEZGLRFM-UHFFFAOYSA-N 1 0 391.313 2.976 20 0 GFADRO COCCC(=O)N1CCC([NH2+]Cc2nc3cc(Br)ccc3o2)CC1 ZINC000638756845 565209158 /nfs/dbraw/zinc/20/91/58/565209158.db2.gz MKQSDMDOYBICSF-UHFFFAOYSA-N 1 0 396.285 2.707 20 0 GFADRO O=C(CCc1cccc(Br)c1)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000638775468 565210110 /nfs/dbraw/zinc/21/01/10/565210110.db2.gz HKGRNJCNUMTYJU-GOSISDBHSA-N 1 0 395.341 2.999 20 0 GFADRO COc1ccc(C(=O)N2CCC(CO[C@H]3CC[NH2+]C3)CC2)cc1Br ZINC000638779030 565210130 /nfs/dbraw/zinc/21/01/30/565210130.db2.gz PWBJFQKYVSMFLQ-HNNXBMFYSA-N 1 0 397.313 2.688 20 0 GFADRO COc1cc(C[NH2+]CCN(C)S(=O)(=O)c2cccs2)c(Cl)cc1O ZINC000638788282 565211617 /nfs/dbraw/zinc/21/16/17/565211617.db2.gz KMHQFPFXVGMPPP-UHFFFAOYSA-N 1 0 390.914 2.526 20 0 GFADRO Cc1cc(Br)c2c(c1)CCN(C(=O)c1cc([C@H]3CC[NH2+]C3)n[nH]1)C2 ZINC000638824007 565212852 /nfs/dbraw/zinc/21/28/52/565212852.db2.gz CLPXGJZZATVNKM-ZDUSSCGKSA-N 1 0 389.297 2.756 20 0 GFADRO COc1ncc(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)cc1Br ZINC000659347386 565214188 /nfs/dbraw/zinc/21/41/88/565214188.db2.gz DHZXFFLULDPUFV-GDBMZVCRSA-N 1 0 390.281 2.728 20 0 GFADRO [NH3+][C@@H](C(=O)N1CC2(CCOCC2)c2ccc(Br)cc21)C1CCC1 ZINC000638841837 565214533 /nfs/dbraw/zinc/21/45/33/565214533.db2.gz FSKOXLBDABZEAF-MRXNPFEDSA-N 1 0 379.298 2.971 20 0 GFADRO O=C(C[C@@H]1CSCC[NH2+]1)NCC1(Cc2ccc(Br)cc2)CC1 ZINC000659359179 565214560 /nfs/dbraw/zinc/21/45/60/565214560.db2.gz PMHYGDXDEHFCCV-OAHLLOKOSA-N 1 0 383.355 2.983 20 0 GFADRO CC[NH2+][C@@H](C)C(=O)NC1CCN(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000638853878 565215255 /nfs/dbraw/zinc/21/52/55/565215255.db2.gz QJGAQJNZZDQQTA-LBPRGKRZSA-N 1 0 397.317 2.560 20 0 GFADRO O=C([C@@H]1C[NH2+]CCC1(F)F)N1CCOC[C@H]1c1cccc(Br)c1 ZINC000659369760 565215344 /nfs/dbraw/zinc/21/53/44/565215344.db2.gz PMTZQUBTRNFBPL-KBPBESRZSA-N 1 0 389.240 2.594 20 0 GFADRO CN1CC[C@H]([NH2+]CC(=O)NCC2CC2)C[C@H]1c1ccc(Br)cc1 ZINC000638916346 565218167 /nfs/dbraw/zinc/21/81/67/565218167.db2.gz DJHKXRLEGSGGMH-IRXDYDNUSA-N 1 0 380.330 2.700 20 0 GFADRO C[C@H](C[NH3+])NC(=O)N1CCc2cc(Br)c(Br)cc2C1 ZINC000659530857 565218999 /nfs/dbraw/zinc/21/89/99/565218999.db2.gz MLNOWANPABHFLB-MRVPVSSYSA-N 1 0 391.107 2.627 20 0 GFADRO COC(=O)c1c(Br)ccc(NC(=O)N[C@@H]2CCC[N@H+](C)C2)c1C ZINC000617030007 565219088 /nfs/dbraw/zinc/21/90/88/565219088.db2.gz GWILULHSTGTYAW-LLVKDONJSA-N 1 0 384.274 2.760 20 0 GFADRO O=C(NC[C@H]1C[NH2+]CCO1)N[C@@H]1CCCCc2cc(Br)ccc21 ZINC000659555344 565219860 /nfs/dbraw/zinc/21/98/60/565219860.db2.gz QCCHNGDCCMAJBZ-GDBMZVCRSA-N 1 0 382.302 2.504 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CN(C(=O)NCC2(Cc3ccc(Br)cc3)CC2)CCO1 ZINC000659599995 565221133 /nfs/dbraw/zinc/22/11/33/565221133.db2.gz STHUYERJUVMERO-CJNGLKHVSA-N 1 0 396.329 2.529 20 0 GFADRO [NH3+]CC12CC(C1)CN2C(=O)NCC1(Cc2ccc(Br)cc2)CC1 ZINC000659600557 565221622 /nfs/dbraw/zinc/22/16/22/565221622.db2.gz ZUOTWMRXFNWJKG-UHFFFAOYSA-N 1 0 378.314 2.905 20 0 GFADRO COC(=O)c1cc(NC(=O)N2C[C@@H](C[NH3+])C[C@@H]2C)c(Br)cc1F ZINC000591287372 565221951 /nfs/dbraw/zinc/22/19/51/565221951.db2.gz SHBOCYQEWNJMGW-DTWKUNHWSA-N 1 0 388.237 2.576 20 0 GFADRO O=C(NCC12CC(C1)C[NH2+]2)C(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000659744030 565222153 /nfs/dbraw/zinc/22/21/53/565222153.db2.gz PMNHKXVHCVZZGL-AAEPOTHZSA-N 1 0 382.291 2.525 20 0 GFADRO O=C(Nc1cccc(F)c1I)N[C@@H]1CCC[NH2+]CC1 ZINC000591293973 565223078 /nfs/dbraw/zinc/22/30/78/565223078.db2.gz DJUIOFUQLLJIEK-SECBINFHSA-N 1 0 377.201 2.694 20 0 GFADRO CS(=O)(=O)CCCCC[NH2+]Cc1nc2cc(Br)ccc2o1 ZINC000639060140 565223253 /nfs/dbraw/zinc/22/32/53/565223253.db2.gz DFJJOKPNJRUQPU-UHFFFAOYSA-N 1 0 375.288 2.895 20 0 GFADRO C[C@H](C[C@H]1CCCC(=O)N1)[NH2+]C[C@@H](CO)Cc1ccccc1Br ZINC000639105744 565226321 /nfs/dbraw/zinc/22/63/21/565226321.db2.gz QKKKNGRCBIWLJF-IJEWVQPXSA-N 1 0 383.330 2.637 20 0 GFADRO Cc1cc(CNC(=O)N2CCC(C)([NH3+])CC2)ccc1I ZINC000591357849 565227343 /nfs/dbraw/zinc/22/73/43/565227343.db2.gz PIELQYZLBHPYIX-UHFFFAOYSA-N 1 0 387.265 2.622 20 0 GFADRO Brc1ccc2ncnc(NCC3([NH+]4CCCC4)CCOCC3)c2c1 ZINC000591371847 565227575 /nfs/dbraw/zinc/22/75/75/565227575.db2.gz XBTFMPXEPXTXRL-UHFFFAOYSA-N 1 0 391.313 3.449 20 0 GFADRO O=S(=O)(NCC[NH2+]CCC1CCOCC1)c1cccc(Cl)c1Cl ZINC000639174892 565229887 /nfs/dbraw/zinc/22/98/87/565229887.db2.gz YFITZCSBAPRPON-UHFFFAOYSA-N 1 0 381.325 2.678 20 0 GFADRO CC(=O)c1nc(CC[NH+]2CCC(n3cc(Br)cn3)CC2)[nH]c1C ZINC000659915124 565230628 /nfs/dbraw/zinc/23/06/28/565230628.db2.gz PZTWYISAQPFENC-UHFFFAOYSA-N 1 0 380.290 2.759 20 0 GFADRO C[C@@H]1CCN(c2ncnc3ccc(I)cc32)C[C@H]1C[NH3+] ZINC000591446033 565231318 /nfs/dbraw/zinc/23/13/18/565231318.db2.gz MWSMFGVTOWNRSK-GHMZBOCLSA-N 1 0 382.249 2.656 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+]CC2(c3ccccc3Br)CCC2)o1 ZINC000639200470 565231667 /nfs/dbraw/zinc/23/16/67/565231667.db2.gz HHOBYCWNQKEATC-UHFFFAOYSA-N 1 0 399.310 2.901 20 0 GFADRO COC[C@](C)(O)CC[NH2+][C@@H]1CCN(C)[C@H](c2ccc(Br)cc2)C1 ZINC000639217014 565233893 /nfs/dbraw/zinc/23/38/93/565233893.db2.gz CXKQHOMCBNDOCI-FGTMMUONSA-N 1 0 385.346 2.962 20 0 GFADRO Cc1c(Br)cccc1C[C@H](CO)C[NH2+][C@@H](C)C[C@@H]1CCCC(=O)N1 ZINC000639238786 565234652 /nfs/dbraw/zinc/23/46/52/565234652.db2.gz XFBJSBVKFBUPCF-QRTARXTBSA-N 1 0 397.357 2.945 20 0 GFADRO Cc1c(Br)cccc1C[C@H](CO)C[NH2+][C@H](C)C[C@@H]1CCCC(=O)N1 ZINC000639238785 565234922 /nfs/dbraw/zinc/23/49/22/565234922.db2.gz XFBJSBVKFBUPCF-KMFMINBZSA-N 1 0 397.357 2.945 20 0 GFADRO O=C(NC[C@H]1CCCC[NH2+]1)c1ccc(I)cc1Cl ZINC000591677260 565236064 /nfs/dbraw/zinc/23/60/64/565236064.db2.gz CZLMQWMHWQIBOX-SNVBAGLBSA-N 1 0 378.641 2.817 20 0 GFADRO O=C1C[C@@H]([NH2+]C2CCN(Cc3cccc(Br)c3)CC2)CCCN1 ZINC000639270811 565236362 /nfs/dbraw/zinc/23/63/62/565236362.db2.gz CCIHENNIGKEQNH-KRWDZBQOSA-N 1 0 380.330 2.672 20 0 GFADRO NS(=O)(=O)c1ccc(C[N@H+](Cc2ccccc2)[C@@H](CO)C2CCC2)s1 ZINC000639294618 565237179 /nfs/dbraw/zinc/23/71/79/565237179.db2.gz ATFFGYGKOFYGJO-KRWDZBQOSA-N 1 0 380.535 2.559 20 0 GFADRO Cc1cc(Br)sc1S(=O)(=O)N1CCCC[C@@H]1C[NH+](C)C ZINC000660006809 565238237 /nfs/dbraw/zinc/23/82/37/565238237.db2.gz DNQAOZOYCVCLFW-LLVKDONJSA-N 1 0 381.361 2.924 20 0 GFADRO CC[C@@H](O)C[NH2+]C[C@@H]1CCCN1Cc1ccc(I)cc1 ZINC000591764409 565238980 /nfs/dbraw/zinc/23/89/80/565238980.db2.gz NDYMMGPGUPGRKY-JKSUJKDBSA-N 1 0 388.293 2.616 20 0 GFADRO COc1nsc(C[NH2+]C[C@H]2CC(=O)N(C(C)(C)C)C2)c1Br ZINC000639329244 565239801 /nfs/dbraw/zinc/23/98/01/565239801.db2.gz WLCWZGPEHXATPB-SECBINFHSA-N 1 0 376.320 2.651 20 0 GFADRO CCn1nncc1C[NH2+][C@@H]1CCN(C)[C@H](c2ccc(Br)cc2)C1 ZINC000639343999 565240200 /nfs/dbraw/zinc/24/02/00/565240200.db2.gz SFHASQTWSPLQIN-WBVHZDCISA-N 1 0 378.318 2.986 20 0 GFADRO CCn1nncc1C[NH2+][C@H]1CCN(C)[C@H](c2ccc(Br)cc2)C1 ZINC000639343998 565241164 /nfs/dbraw/zinc/24/11/64/565241164.db2.gz SFHASQTWSPLQIN-RDJZCZTQSA-N 1 0 378.318 2.986 20 0 GFADRO Nc1c(Cl)cc(Cl)cc1C[NH2+]C[C@H]1CN(Cc2ccncc2)CCO1 ZINC000639354799 565241197 /nfs/dbraw/zinc/24/11/97/565241197.db2.gz OWTCZLIGMKUSKP-INIZCTEOSA-N 1 0 381.307 2.961 20 0 GFADRO Brc1cnc2c(CNC[C@@H]3CCC[N@H+](CC4CC4)C3)cnn2c1 ZINC000639336267 565241297 /nfs/dbraw/zinc/24/12/97/565241297.db2.gz AUAYGESIUKJWOP-AWEZNQCLSA-N 1 0 378.318 2.703 20 0 GFADRO CCN(C(=O)c1nn(-c2ccc(F)cc2)cc1Br)[C@@H]1CC[N@H+](C)C1 ZINC000617554722 565245987 /nfs/dbraw/zinc/24/59/87/565245987.db2.gz INNAMCACZXUJBE-CQSZACIVSA-N 1 0 395.276 2.940 20 0 GFADRO CCCN(C[C@H](O)COc1cc(Cl)cc(Cl)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000639451753 565247192 /nfs/dbraw/zinc/24/71/92/565247192.db2.gz KUHGCHUKDCCYGH-CABCVRRESA-N 1 0 396.336 2.632 20 0 GFADRO CCN(C(=O)Cc1csc(NC(=O)c2cccs2)n1)[C@@H]1CC[N@H+](C)C1 ZINC000617559006 565247414 /nfs/dbraw/zinc/24/74/14/565247414.db2.gz QAPXOTXFYMFETB-CYBMUJFWSA-N 1 0 378.523 2.552 20 0 GFADRO C[C@@](O)(C[C@H](O)C[NH2+]C1(c2ccc(Br)cc2)CCOCC1)C1CC1 ZINC000639522807 565249954 /nfs/dbraw/zinc/24/99/54/565249954.db2.gz PQOHDTDSKFERIG-ZWKOTPCHSA-N 1 0 398.341 2.956 20 0 GFADRO C[C@@H]1CN(C[C@H](O)COc2cc(Cl)cc(Cl)c2)CC[N@@H+]1CC(C)(C)O ZINC000639602013 565250798 /nfs/dbraw/zinc/25/07/98/565250798.db2.gz MUVWAZNCSXLRBW-CJNGLKHVSA-N 1 0 391.339 2.510 20 0 GFADRO O=C(NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1occc1Br ZINC000617701394 565251223 /nfs/dbraw/zinc/25/12/23/565251223.db2.gz WEQRLUUJGBGMDE-AWEZNQCLSA-N 1 0 379.254 2.539 20 0 GFADRO O=C(NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1cccc(Br)c1 ZINC000617696274 565252033 /nfs/dbraw/zinc/25/20/33/565252033.db2.gz FNTHRUFPOHJXPB-GOSISDBHSA-N 1 0 389.293 2.946 20 0 GFADRO COCC[N@@H+](Cc1cc(Br)cs1)C[C@@H](O)C[C@](C)(O)C1CC1 ZINC000639634622 565252527 /nfs/dbraw/zinc/25/25/27/565252527.db2.gz SJHFCXZZCTXCDV-HOCLYGCPSA-N 1 0 392.359 2.871 20 0 GFADRO CCC[N@H+](C)CC(C)(C)NS(=O)(=O)c1cc(OC)ccc1Br ZINC000660106693 565253523 /nfs/dbraw/zinc/25/35/23/565253523.db2.gz IFAPPLKUVHPUGP-UHFFFAOYSA-N 1 0 393.347 2.856 20 0 GFADRO O[C@H](COc1cc(Cl)cc(Cl)c1)C[N@@H+]1CCC[C@@H](N2CCOCC2)C1 ZINC000639658993 565253589 /nfs/dbraw/zinc/25/35/89/565253589.db2.gz GBJUYHRDDTUFOM-SJORKVTESA-N 1 0 389.323 2.530 20 0 GFADRO CC(C)[C@@H](NC(=O)c1ccccc1Br)C(=O)NCC[C@@H](C)[NH+](C)C ZINC000617745683 565257070 /nfs/dbraw/zinc/25/70/70/565257070.db2.gz TYFFLPMLZSSOFV-CZUORRHYSA-N 1 0 398.345 2.660 20 0 GFADRO C[C@H](CCNC(=O)c1ncc(Br)cc1Br)[NH+](C)C ZINC000617756740 565257490 /nfs/dbraw/zinc/25/74/90/565257490.db2.gz NGHXWAKNOZZNDN-MRVPVSSYSA-N 1 0 379.096 2.677 20 0 GFADRO CN(CC[N@H+](C)C1CCN(C)CC1)Cc1ncc(Br)cc1Cl ZINC000660139042 565258317 /nfs/dbraw/zinc/25/83/17/565258317.db2.gz GQYRDNOCKXBYPT-UHFFFAOYSA-N 1 0 389.769 2.955 20 0 GFADRO C[NH+](C)C[C@H]1COC2(CCCC2)CN1S(=O)(=O)c1ccc(Cl)cc1F ZINC000660149535 565259195 /nfs/dbraw/zinc/25/91/95/565259195.db2.gz CIUNLPUVGHKBNT-AWEZNQCLSA-N 1 0 390.908 2.743 20 0 GFADRO CC(C)[C@H]1CN(C(=O)c2ccc(I)c(F)c2)CC[NH2+]1 ZINC000592242960 565264755 /nfs/dbraw/zinc/26/47/55/565264755.db2.gz XKKWEXHTKGQBGH-CYBMUJFWSA-N 1 0 376.213 2.500 20 0 GFADRO CSCC[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)N(C)CCC[NH3+] ZINC000592298640 565266961 /nfs/dbraw/zinc/26/69/61/565266961.db2.gz NIWKODIUEWRWQQ-AWEZNQCLSA-N 1 0 392.352 2.652 20 0 GFADRO COc1cc(NC(=O)NC2CC[NH+](CC3CC3)CC2)ncc1Br ZINC000639963644 565270874 /nfs/dbraw/zinc/27/08/74/565270874.db2.gz JRLYIMCOCOTASY-UHFFFAOYSA-N 1 0 383.290 2.849 20 0 GFADRO CC(C)(C[NH2+]Cc1cccc(I)c1)[C@]1(O)CCOC1 ZINC000592375630 565272757 /nfs/dbraw/zinc/27/27/57/565272757.db2.gz XDYQRDYFNJSIJT-HNNXBMFYSA-N 1 0 375.250 2.558 20 0 GFADRO CC[N@@H+]1CCCN(C[C@@H](O)COc2ccc(Cl)cc2Br)CC1 ZINC000592391349 565274413 /nfs/dbraw/zinc/27/44/13/565274413.db2.gz KTTYQYFJZPKPRQ-CQSZACIVSA-N 1 0 391.737 2.870 20 0 GFADRO OC[C@@H]1C[N@H+](C[C@@H](O)COc2ccc(Cl)c(Cl)c2)C[C@H]1C(F)(F)F ZINC000640041535 565275468 /nfs/dbraw/zinc/27/54/68/565275468.db2.gz ZRIRKKJBBHWESV-HOSYDEDBSA-N 1 0 388.213 2.836 20 0 GFADRO CC[NH+](CC)CCCN(Cc1ccc(Cl)cc1)C(=O)[C@@H](C)S(C)(=O)=O ZINC000618174324 565275662 /nfs/dbraw/zinc/27/56/62/565275662.db2.gz WHVSLPDIRAVDKV-OAHLLOKOSA-N 1 0 388.961 2.834 20 0 GFADRO C[C@@H](OC[C@H](O)C[N@@H+]1C[C@@H](CO)[C@H](C(F)(F)F)C1)c1ccc(Cl)cc1 ZINC000640041299 565275865 /nfs/dbraw/zinc/27/58/65/565275865.db2.gz UPVAXOOSXRQSOQ-WXYCVUISSA-N 1 0 381.822 2.881 20 0 GFADRO Cc1ccc(C[N@H+](C[C@@H]2CNC(=O)C2)C[C@@H]2CCCO2)c(Br)c1 ZINC000660463379 565278083 /nfs/dbraw/zinc/27/80/83/565278083.db2.gz BTOKZRFNOQXDQU-HOCLYGCPSA-N 1 0 381.314 2.875 20 0 GFADRO [NH3+]C[C@H]1CCCn2ncc(C(=O)N[C@@H]3CCc4c3cccc4Br)c21 ZINC000592525734 565281007 /nfs/dbraw/zinc/28/10/07/565281007.db2.gz RTJABAYZSXPVEI-BDJLRTHQSA-N 1 0 389.297 2.899 20 0 GFADRO COc1ccc(NC(=O)c2cnn3c2[C@@H](C[NH3+])CCC3)c(Br)c1 ZINC000592520397 565281034 /nfs/dbraw/zinc/28/10/34/565281034.db2.gz MXJBKWGAQHJKFH-SNVBAGLBSA-N 1 0 379.258 2.743 20 0 GFADRO O=C(N[C@@H]1CC[NH2+]C2(CCC2)C1)c1c(F)cccc1I ZINC000592568693 565282325 /nfs/dbraw/zinc/28/23/25/565282325.db2.gz NKZVZMBZJLLJOS-SNVBAGLBSA-N 1 0 388.224 2.835 20 0 GFADRO O=S(=O)(NC[C@H]1CCC[N@H+](CCc2nsc3ccccc32)C1)C1CC1 ZINC000660556866 565282524 /nfs/dbraw/zinc/28/25/24/565282524.db2.gz JJYWUUZZACITHD-CQSZACIVSA-N 1 0 379.551 2.633 20 0 GFADRO CS(=O)(=O)CC[C@H]1CCCC[N@@H+]1CC[C@@H]1Sc2ccccc2NC1=O ZINC000660608966 565285275 /nfs/dbraw/zinc/28/52/75/565285275.db2.gz PCMHJQFRYMWYMI-PBHICJAKSA-N 1 0 382.551 2.779 20 0 GFADRO C[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N(CC[NH+](C)C)CC(=O)N(C)C ZINC000618305744 565285917 /nfs/dbraw/zinc/28/59/17/565285917.db2.gz FZLQZPXUVBHHPN-CYBMUJFWSA-N 1 0 388.339 2.650 20 0 GFADRO NS(=O)(=O)c1cc(C[N@@H+]2CC[C@H](Cc3ccc(Br)cc3)C2)co1 ZINC000660631822 565286099 /nfs/dbraw/zinc/28/60/99/565286099.db2.gz JTJVCOIPPDXFNM-CYBMUJFWSA-N 1 0 399.310 2.754 20 0 GFADRO CC[C@H]1C[N@H+](CC)CCN1CC(=O)c1c[nH]c2ncc(Br)cc12 ZINC000660735514 565291843 /nfs/dbraw/zinc/29/18/43/565291843.db2.gz JNSZERHYEDKUEO-ZDUSSCGKSA-N 1 0 379.302 2.924 20 0 GFADRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)c1cnn(-c2cccc(Br)c2)c1 ZINC000592742079 565291993 /nfs/dbraw/zinc/29/19/93/565291993.db2.gz LRCDVTFWVWSVRQ-DLBZAZTESA-N 1 0 389.297 2.991 20 0 GFADRO CC1CC[NH+](CCCNC(=O)Nc2nn(CC(F)(F)F)cc2Cl)CC1 ZINC000640292770 565294219 /nfs/dbraw/zinc/29/42/19/565294219.db2.gz OYNDBEPZKZBSFK-UHFFFAOYSA-N 1 0 381.830 3.342 20 0 GFADRO C[C@@H]1[C@H](C(=O)NCc2ccc(Cl)cc2I)CC[N@@H+]1C ZINC000592794498 565296065 /nfs/dbraw/zinc/29/60/65/565296065.db2.gz VPTAJZZSCDXSPU-BXKDBHETSA-N 1 0 392.668 2.901 20 0 GFADRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N1CCOc2cc(Br)ccc2C1 ZINC000660886591 565298297 /nfs/dbraw/zinc/29/82/97/565298297.db2.gz GMTAZOBKISKJFG-BLLLJJGKSA-N 1 0 394.313 2.836 20 0 GFADRO CC(C)c1n[nH]c(C(=O)N2CCC[N@H+](C[C@@H]3CCCO3)CC2)c1Br ZINC000592832527 565299118 /nfs/dbraw/zinc/29/91/18/565299118.db2.gz HVXQXXDQWWRUPE-ZDUSSCGKSA-N 1 0 399.333 2.623 20 0 GFADRO O=C(N[C@@H](CO)C[NH+]1CCCC1)c1sc2ccccc2c1Br ZINC000640322821 565301981 /nfs/dbraw/zinc/30/19/81/565301981.db2.gz XSCOUVCRELEKAB-LLVKDONJSA-N 1 0 383.311 2.850 20 0 GFADRO Cc1cccc(CNC(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)c1Br ZINC000661055030 565303620 /nfs/dbraw/zinc/30/36/20/565303620.db2.gz CIZBJFBHZKDSTR-MRXNPFEDSA-N 1 0 396.329 2.810 20 0 GFADRO Cc1ccc(Br)cc1CNC(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000661051562 565303848 /nfs/dbraw/zinc/30/38/48/565303848.db2.gz OJBLZIYCLWNANS-QGZVFWFLSA-N 1 0 396.329 2.810 20 0 GFADRO C[C@H](CC(=O)N1CCCN(c2cc[nH+]cc2)CC1)n1cc(Br)cn1 ZINC000640441968 565309645 /nfs/dbraw/zinc/30/96/45/565309645.db2.gz CXHHVUZPCHPMNK-CQSZACIVSA-N 1 0 392.301 2.731 20 0 GFADRO COC[C@@H]([NH2+]Cc1cc2c(cc1Br)OCCO2)C1CCOCC1 ZINC000661161600 565311545 /nfs/dbraw/zinc/31/15/45/565311545.db2.gz XNDJXFWJWIKHIT-OAHLLOKOSA-N 1 0 386.286 2.752 20 0 GFADRO CO[C@@H]1CCC[C@@H]([C@@H](CO)[NH2+]Cc2nc3ccc(Br)cc3n2C)C1 ZINC000661213338 565314161 /nfs/dbraw/zinc/31/41/61/565314161.db2.gz AHYNZPDPXOHLKA-XNRPHZJLSA-N 1 0 396.329 2.992 20 0 GFADRO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)N[C@@H](C)c1ncc(Br)cn1 ZINC000661237477 565315285 /nfs/dbraw/zinc/31/52/85/565315285.db2.gz XMMFRBMBSMELKY-OLZOCXBDSA-N 1 0 384.322 2.720 20 0 GFADRO COC(=O)[C@@H]1C[N@H+](Cc2nnc(-c3ccc(Br)o3)o2)C[C@H]1C1CC1 ZINC000593124691 565315484 /nfs/dbraw/zinc/31/54/84/565315484.db2.gz UKBHXWYYZGUERM-WDEREUQCSA-N 1 0 396.241 2.723 20 0 GFADRO COC[C@H](C)OC[C@@H](O)C[NH+]1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000661376635 565321494 /nfs/dbraw/zinc/32/14/94/565321494.db2.gz FKZPEDNIUYAYPR-ZFWWWQNUSA-N 1 0 377.312 2.528 20 0 GFADRO [NH3+][C@@H](c1cn(CC(=O)Nc2c(Cl)cccc2Cl)nn1)C1CCOCC1 ZINC000640772117 565325089 /nfs/dbraw/zinc/32/50/89/565325089.db2.gz RUYZEXPJXJETTL-OAHLLOKOSA-N 1 0 384.267 2.650 20 0 GFADRO C[C@H]1CN(CC[NH+]2CCN(c3ccc(Br)cc3)CC2)C[C@H](C)O1 ZINC000661576907 565329219 /nfs/dbraw/zinc/32/92/19/565329219.db2.gz REWIEOCTAOJYTR-HOTGVXAUSA-N 1 0 382.346 2.680 20 0 GFADRO O[C@H](COCc1ccco1)C[NH+]1CCN(c2ccc(Br)cc2)CC1 ZINC000661577024 565329300 /nfs/dbraw/zinc/32/93/00/565329300.db2.gz UMAGGUZEOQFSJT-KRWDZBQOSA-N 1 0 395.297 2.742 20 0 GFADRO Cc1cc(NC(=O)[C@H](C)[N@@H+]2CC[C@H]3NC(=O)CC[C@@H]3C2)ccc1Br ZINC000661598568 565330671 /nfs/dbraw/zinc/33/06/71/565330671.db2.gz PSZBTGLFUNPCSH-WOSRLPQWSA-N 1 0 394.313 2.685 20 0 GFADRO CC(C)(C)[C@H]([NH3+])c1cn(CC(=O)NCCc2cccc(Cl)c2Cl)nn1 ZINC000640982868 565339583 /nfs/dbraw/zinc/33/95/83/565339583.db2.gz MRMRBXRUNVDDIP-MRXNPFEDSA-N 1 0 384.311 2.990 20 0 GFADRO Ic1ccc(CN2CCC[C@H]2C[NH2+]Cc2cn[nH]c2)cc1 ZINC000619434379 565341494 /nfs/dbraw/zinc/34/14/94/565341494.db2.gz FUVIUJLKEWBSMB-INIZCTEOSA-N 1 0 396.276 2.769 20 0 GFADRO C[C@@H](c1ccc(Br)cc1)n1cc(CCN2CCC([NH3+])CC2)nn1 ZINC000641042190 565343548 /nfs/dbraw/zinc/34/35/48/565343548.db2.gz AHWKIISKSWMMLI-ZDUSSCGKSA-N 1 0 378.318 2.616 20 0 GFADRO CS[C@H]1CN(S(=O)(=O)c2ccc(Cl)c(F)c2)C[C@H]1[NH+]1CCCC1 ZINC000593584398 565343830 /nfs/dbraw/zinc/34/38/30/565343830.db2.gz NHNVWRMQYZYYED-CABCVRRESA-N 1 0 378.922 2.679 20 0 GFADRO [NH3+]C1CCN(CCc2cn(CCOc3cc(Cl)cc(Cl)c3)nn2)CC1 ZINC000641062013 565344368 /nfs/dbraw/zinc/34/43/68/565344368.db2.gz KEDFNKMCNDYCPE-UHFFFAOYSA-N 1 0 384.311 2.630 20 0 GFADRO C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+]1CC[C@H]2COC[C@@H]2C1 ZINC000662042199 565346091 /nfs/dbraw/zinc/34/60/91/565346091.db2.gz XPKPUTUKSMOERU-KBMXLJTQSA-N 1 0 381.314 2.764 20 0 GFADRO Brc1ccc(-c2nccc(Cn3cc(C[NH2+]C4CC4)nn3)n2)cc1 ZINC000641113044 565347057 /nfs/dbraw/zinc/34/70/57/565347057.db2.gz VEMCYFIQVPBPSZ-UHFFFAOYSA-N 1 0 385.269 2.798 20 0 GFADRO CC[NH2+]Cc1ccn(Cc2cn(Cc3cscc3Br)nn2)n1 ZINC000641128647 565348109 /nfs/dbraw/zinc/34/81/09/565348109.db2.gz VEAONRYEHVVURV-UHFFFAOYSA-N 1 0 381.303 2.505 20 0 GFADRO [NH3+][C@@H](c1cn(Cc2nc3cc(Br)ccc3o2)nn1)C1CCOCC1 ZINC000641131432 565349416 /nfs/dbraw/zinc/34/94/16/565349416.db2.gz ZYFIUYDTSNYYGB-MRXNPFEDSA-N 1 0 392.257 2.657 20 0 GFADRO O=C1Nc2ccc(Br)cc2CC[C@@H]1n1cc(C2CC[NH2+]CC2)nn1 ZINC000641164988 565350791 /nfs/dbraw/zinc/35/07/91/565350791.db2.gz ULOGITSODLECMS-INIZCTEOSA-N 1 0 390.285 2.634 20 0 GFADRO CC(C)NC(=O)[C@@H]1CCC[N@H+](C[C@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000662112715 565351146 /nfs/dbraw/zinc/35/11/46/565351146.db2.gz GGJKXYYCHOSWDC-KGLIPLIRSA-N 1 0 389.323 2.970 20 0 GFADRO CCSc1ccc(Cn2cc(C[C@H]([NH3+])COC)nn2)c(Br)c1 ZINC000641186830 565353153 /nfs/dbraw/zinc/35/31/53/565353153.db2.gz MJOSFOOQMPRVEI-LBPRGKRZSA-N 1 0 385.331 2.717 20 0 GFADRO CCOC(=O)c1cc(Cl)cc(S(=O)(=O)N2CCC[C@@H](C)[C@H]2CC[NH3+])c1 ZINC000593733801 565358251 /nfs/dbraw/zinc/35/82/51/565358251.db2.gz JXSJROWVZOMCSP-MLGOLLRUSA-N 1 0 388.917 2.655 20 0 GFADRO C[C@H]([NH2+]CC[C@@]1(O)CCCOC1)c1ccc(I)cc1 ZINC000593719833 565358599 /nfs/dbraw/zinc/35/85/99/565358599.db2.gz HZPFUYVNASJGML-WFASDCNBSA-N 1 0 375.250 2.873 20 0 GFADRO COc1ncc(Br)cc1CN1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000662282949 565358951 /nfs/dbraw/zinc/35/89/51/565358951.db2.gz FFUMSKWTOBKMSQ-BZUAXINKSA-N 1 0 384.318 2.714 20 0 GFADRO Cc1cc(NC(=O)CN2CCO[C@@H](CCC[NH+](C)C)C2)ccc1Br ZINC000662319506 565360550 /nfs/dbraw/zinc/36/05/50/565360550.db2.gz JAJFXHMIVCRPRT-INIZCTEOSA-N 1 0 398.345 2.739 20 0 GFADRO COc1cc(CS(=O)(=O)NCC(C)(C)[NH2+][C@H](C)c2ccccc2)sn1 ZINC000641316685 565361744 /nfs/dbraw/zinc/36/17/44/565361744.db2.gz QSXDDOZJHDGQRC-CYBMUJFWSA-N 1 0 383.539 2.701 20 0 GFADRO CCC[N@@H+]1CC[C@H](NC(=O)CSc2nncn2-c2cccc(Cl)c2)C1 ZINC000619895070 565362599 /nfs/dbraw/zinc/36/25/99/565362599.db2.gz HWXSLSNZYGBZNJ-AWEZNQCLSA-N 1 0 379.917 2.613 20 0 GFADRO CCC[N@@H+]1CC[C@@H](NC(=O)c2ccn(-c3ccc(Br)cc3)n2)C1 ZINC000619904073 565364388 /nfs/dbraw/zinc/36/43/88/565364388.db2.gz JQSBVNYYWNQIQU-CQSZACIVSA-N 1 0 377.286 2.849 20 0 GFADRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)[C@@H](N)c2ccccc2Br)C1 ZINC000662386858 565364858 /nfs/dbraw/zinc/36/48/58/565364858.db2.gz OCHTZOSQNIWSJQ-CPUCHLNUSA-N 1 0 382.346 2.933 20 0 GFADRO [NH3+][C@@H](CNC(=O)[C@@H]1CCO[C@H]1c1cncc(Br)c1)c1ccccc1 ZINC000662412840 565365890 /nfs/dbraw/zinc/36/58/90/565365890.db2.gz KOMPNYNEXZFNCX-IKGGRYGDSA-N 1 0 390.281 2.738 20 0 GFADRO CN(CC[NH+]1CCCCC1)C(=O)c1ccc(I)c(F)c1 ZINC000593884849 565365907 /nfs/dbraw/zinc/36/59/07/565365907.db2.gz XNGMBMMNXUXIFC-UHFFFAOYSA-N 1 0 390.240 2.988 20 0 GFADRO O=C(NCCCOc1ccc(Cl)cc1Cl)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC000662424753 565367596 /nfs/dbraw/zinc/36/75/96/565367596.db2.gz YADRANGGDFOBQE-LLVKDONJSA-N 1 0 383.279 2.992 20 0 GFADRO COc1cc(CS(=O)(=O)N2CCC(CCC[NH+]3CCCC3)CC2)sn1 ZINC000641393521 565369488 /nfs/dbraw/zinc/36/94/88/565369488.db2.gz VZVWHESNSZFAGE-UHFFFAOYSA-N 1 0 387.571 2.570 20 0 GFADRO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)[C@@H](N)c2ccccc2Br)C1 ZINC000662487067 565371778 /nfs/dbraw/zinc/37/17/78/565371778.db2.gz SALCVWFGSUKDPV-PBHICJAKSA-N 1 0 380.330 2.639 20 0 GFADRO O=C(NCc1cc(Cl)ccc1Br)c1cnnn1C1CC[NH2+]CC1 ZINC000662522884 565374578 /nfs/dbraw/zinc/37/45/78/565374578.db2.gz FTDDKTYLCQRICG-UHFFFAOYSA-N 1 0 398.692 2.549 20 0 GFADRO CC[C@H]([NH2+]C)C(=O)N(CCn1ccnc1)Cc1ccccc1Br ZINC000662546490 565376167 /nfs/dbraw/zinc/37/61/67/565376167.db2.gz VAFJRJJGHKEXMH-INIZCTEOSA-N 1 0 379.302 2.672 20 0 GFADRO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)c1cc(Br)cc(N2CCCC2)c1 ZINC000662561989 565377289 /nfs/dbraw/zinc/37/72/89/565377289.db2.gz VABVAQKJQKWEAI-HOCLYGCPSA-N 1 0 384.293 2.821 20 0 GFADRO O=C(Cc1ccc(I)cc1)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000594199026 565378227 /nfs/dbraw/zinc/37/82/27/565378227.db2.gz XXGKCYUUITUYAN-CVEARBPZSA-N 1 0 398.288 2.967 20 0 GFADRO O=C(Cc1ccc(I)cc1)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000594199027 565378942 /nfs/dbraw/zinc/37/89/42/565378942.db2.gz XXGKCYUUITUYAN-HOTGVXAUSA-N 1 0 398.288 2.967 20 0 GFADRO [NH3+][C@H]1C[C@H](C(=O)Nc2cc(Cl)c(NC(=O)c3cnccn3)c(Cl)c2)C1 ZINC000662609516 565379165 /nfs/dbraw/zinc/37/91/65/565379165.db2.gz FABYJZOFERVOQK-KYZUINATSA-N 1 0 380.235 2.712 20 0 GFADRO CN(CC(C)(C)[NH3+])C(=O)c1nn(-c2cccc(Br)c2)c2c1CCC2 ZINC000662610690 565379311 /nfs/dbraw/zinc/37/93/11/565379311.db2.gz SGGVAWCINMAWPQ-UHFFFAOYSA-N 1 0 391.313 2.933 20 0 GFADRO [NH3+]C[C@@H]1OCC[C@@H]1C(=O)NCC1(c2ccc(Br)cc2)CCCC1 ZINC000662621137 565379986 /nfs/dbraw/zinc/37/99/86/565379986.db2.gz DXZFKAGWQXQCQN-HOTGVXAUSA-N 1 0 381.314 2.741 20 0 GFADRO Cc1cc(I)ccc1NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC000594213861 565380050 /nfs/dbraw/zinc/38/00/50/565380050.db2.gz KVVFIWLKRCTOMF-UHFFFAOYSA-N 1 0 398.248 2.610 20 0 GFADRO [NH3+]C1(CNC(=O)CCc2nc(-c3cc(Br)cs3)no2)CCCC1 ZINC000662653858 565380360 /nfs/dbraw/zinc/38/03/60/565380360.db2.gz YMZGVGGIDFRPLU-UHFFFAOYSA-N 1 0 399.314 2.881 20 0 GFADRO Cc1cc(Br)c(CNC(=O)c2cnn([C@H]3CCC[NH2+]C3)c2)s1 ZINC000662667422 565380979 /nfs/dbraw/zinc/38/09/79/565380979.db2.gz AFEILSFHWJHITG-LBPRGKRZSA-N 1 0 383.315 2.870 20 0 GFADRO O=C(c1cnn([C@H]2CCC[NH2+]C2)c1)N1CCc2sc(Br)cc2C1 ZINC000662688653 565381625 /nfs/dbraw/zinc/38/16/25/565381625.db2.gz NXHWPSTUMUFPQY-ZDUSSCGKSA-N 1 0 395.326 2.830 20 0 GFADRO [NH3+]CC12CC(C1)CN2C(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 ZINC000662677566 565381724 /nfs/dbraw/zinc/38/17/24/565381724.db2.gz MKUFHHKJZXAXJM-AAEPOTHZSA-N 1 0 382.291 2.548 20 0 GFADRO CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1([NH3+])C(=O)N1CCc2sc(Br)cc2C1 ZINC000662690155 565381740 /nfs/dbraw/zinc/38/17/40/565381740.db2.gz ZSJSAAKECACPNU-FABXCBLPSA-N 1 0 399.354 2.928 20 0 GFADRO CCO[C@H]1C[C@@]([NH3+])(C(=O)N2CCc3sc(Br)cc3C2)C1(C)C ZINC000662688802 565382352 /nfs/dbraw/zinc/38/23/52/565382352.db2.gz OXSVWKFOXIJCKL-BLLLJJGKSA-N 1 0 387.343 2.928 20 0 GFADRO CCOc1cc(Br)c(CC(=O)N2CC3CC2(C[NH3+])C3)cc1OCC ZINC000662674760 565382470 /nfs/dbraw/zinc/38/24/70/565382470.db2.gz GVSSYUTWMCVTPO-UHFFFAOYSA-N 1 0 397.313 2.739 20 0 GFADRO O=C(COc1ccc2cc(Br)ccc2c1)NCC12CC(C1)C[NH2+]2 ZINC000662721166 565383506 /nfs/dbraw/zinc/38/35/06/565383506.db2.gz KOSHXQNCGZNECX-UHFFFAOYSA-N 1 0 375.266 2.849 20 0 GFADRO C[C@@]([NH3+])(C(=O)N1CCOc2ccc(O)cc2C1)c1ccc(Br)cc1 ZINC000662734373 565383621 /nfs/dbraw/zinc/38/36/21/565383621.db2.gz GDUKHRHWPXOVHE-SFHVURJKSA-N 1 0 391.265 2.750 20 0 GFADRO COC(=O)C[C@H](NC(=O)[C@H]1C[C@@]12CCC[NH2+]C2)c1ccc(Br)cc1 ZINC000594429986 565384328 /nfs/dbraw/zinc/38/43/28/565384328.db2.gz XEVOGLACLDPVLC-RVKKMQEKSA-N 1 0 395.297 2.559 20 0 GFADRO O=C([C@@H]1CCO[C@H]1c1cncc(Br)c1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000662778402 565384885 /nfs/dbraw/zinc/38/48/85/565384885.db2.gz LHZXHLHLABWVDB-RYRKJORJSA-N 1 0 394.313 2.524 20 0 GFADRO Cc1cc(Br)cc(C(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)c1C ZINC000620474042 565385092 /nfs/dbraw/zinc/38/50/92/565385092.db2.gz CCZYFAIBBRJHRQ-INIZCTEOSA-N 1 0 381.314 2.737 20 0 GFADRO Cc1ccc(C(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)c(C)c1Br ZINC000620478808 565385095 /nfs/dbraw/zinc/38/50/95/565385095.db2.gz HYJWPJULHYRHLC-OAHLLOKOSA-N 1 0 381.314 2.737 20 0 GFADRO [NH3+]C[C@H]1OCC[C@@H]1C(=O)NCC1(c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000662811268 565386201 /nfs/dbraw/zinc/38/62/01/565386201.db2.gz XWCCHVSYZCFJFI-SMDDNHRTSA-N 1 0 376.806 2.870 20 0 GFADRO C[C@@H](C[NH+](C)C)[C@H]1CCCCN1S(=O)(=O)c1onc(C2CC2)c1Cl ZINC000641623844 565387526 /nfs/dbraw/zinc/38/75/26/565387526.db2.gz KNMMEZJEVHWGKT-WCQYABFASA-N 1 0 375.922 2.946 20 0 GFADRO C[C@@H]1[C@@H](c2ccc(Br)cc2)OCCN1C(=O)[C@H]1C[C@]12CC[NH2+]C2 ZINC000662859641 565388031 /nfs/dbraw/zinc/38/80/31/565388031.db2.gz QRPMUKWEAKCMHG-ANRZDRKOSA-N 1 0 379.298 2.737 20 0 GFADRO Cc1cc(COc2ccc(C(=O)N[C@@]3(C)CC[NH2+]C3)cc2Br)on1 ZINC000663012280 565393619 /nfs/dbraw/zinc/39/36/19/565393619.db2.gz VHKBVLIXEFMTEG-KRWDZBQOSA-N 1 0 394.269 2.806 20 0 GFADRO Cc1nn(-c2ccccc2Br)cc1C[NH2+]CC1([S@](C)=O)CC1 ZINC000594524479 565397861 /nfs/dbraw/zinc/39/78/61/565397861.db2.gz QNZPPBSTABMBEB-QFIPXVFZSA-N 1 0 382.327 2.944 20 0 GFADRO Cc1cc(Br)ccc1[C@@H](C)[NH2+]C1CCN(S(C)(=O)=O)CC1 ZINC000641770848 565398261 /nfs/dbraw/zinc/39/82/61/565398261.db2.gz JUMXSAZYWUPKQN-GFCCVEGCSA-N 1 0 375.332 2.832 20 0 GFADRO CC(C)([NH3+])CCNC(=O)C(=O)Nc1ccc(C(F)(F)F)c(Br)c1 ZINC000641822596 565400066 /nfs/dbraw/zinc/40/00/66/565400066.db2.gz UHPNLTQVJZWBGY-UHFFFAOYSA-N 1 0 396.207 2.650 20 0 GFADRO CN(C)[C@H](C[NH2+]C[C@@H](O)COc1cccc(Br)c1)c1ccco1 ZINC000641938089 565402346 /nfs/dbraw/zinc/40/23/46/565402346.db2.gz KMFUIIQGWBDKNL-GDBMZVCRSA-N 1 0 383.286 2.674 20 0 GFADRO CC(C)[C@H]1CN(C(=O)c2ccc(-n3cc(Br)cn3)cc2)CC[NH2+]1 ZINC000621151141 565407803 /nfs/dbraw/zinc/40/78/03/565407803.db2.gz UMGSQYBLKGCNBK-MRXNPFEDSA-N 1 0 377.286 2.705 20 0 GFADRO CC(C)[C@H]1CN(C(=O)c2[nH]nc(-c3ccccc3)c2Br)CC[NH2+]1 ZINC000621152546 565408346 /nfs/dbraw/zinc/40/83/46/565408346.db2.gz YOYAQLYMPAZQLP-CYBMUJFWSA-N 1 0 377.286 2.909 20 0 GFADRO COC(=O)CCN1CCC[C@@H]([NH2+][C@H](C)c2ccc(Br)cc2)C1=O ZINC000594710055 565410516 /nfs/dbraw/zinc/41/05/16/565410516.db2.gz IOTWBFNLHPULJU-IUODEOHRSA-N 1 0 383.286 2.654 20 0 GFADRO CC(C)[NH+](CCNS(=O)(=O)c1cc2c(cc1Cl)CCC(=O)N2)C(C)C ZINC000642331951 565411661 /nfs/dbraw/zinc/41/16/61/565411661.db2.gz BIMTVMLXPOABGT-UHFFFAOYSA-N 1 0 387.933 2.622 20 0 GFADRO CN([C@H](C[NH3+])C(F)(F)F)S(=O)(=O)c1cc(Br)ccc1Cl ZINC000663311099 565411832 /nfs/dbraw/zinc/41/18/32/565411832.db2.gz LUZNPSQMVPNAFU-SECBINFHSA-N 1 0 395.628 2.613 20 0 GFADRO O[C@H](C[NH2+]C1CCN([C@@H]2CCOC2)CC1)COc1c(Cl)cccc1Cl ZINC000663364502 565414713 /nfs/dbraw/zinc/41/47/13/565414713.db2.gz ROVBIJDRVPYSBG-HUUCEWRRSA-N 1 0 389.323 2.576 20 0 GFADRO CN(C)C(=O)CC[NH+]1CCN(c2nc3c(cccc3Br)s2)CC1 ZINC000621279249 565414741 /nfs/dbraw/zinc/41/47/41/565414741.db2.gz MSVWKCWMTMNEIO-UHFFFAOYSA-N 1 0 397.342 2.659 20 0 GFADRO C[C@H](c1ccccc1)[C@H](O)C[NH2+]C[C@@H](O)COc1ccc(Br)cc1 ZINC000663378123 565416695 /nfs/dbraw/zinc/41/66/95/565416695.db2.gz OWABACPCCBGNCP-LSBZLQRGSA-N 1 0 394.309 2.943 20 0 GFADRO COc1cc(CN2CCC[C@@H](N3CCCC3=O)CC2)c(Br)cn1 ZINC000621302209 565417133 /nfs/dbraw/zinc/41/71/33/565417133.db2.gz XDZVWQPRGYORQJ-CQSZACIVSA-N 1 0 382.302 2.830 20 0 GFADRO O[C@@H](C[NH2+][C@H]1CCCSc2ccc(Br)cc21)Cn1ccnn1 ZINC000663449890 565421552 /nfs/dbraw/zinc/42/15/52/565421552.db2.gz UAURHOBOOPJKJJ-JSGCOSHPSA-N 1 0 383.315 2.618 20 0 GFADRO O=C1CNC(=O)N1CC[NH2+][C@@H]1CCCSc2ccc(Br)cc21 ZINC000663445724 565421660 /nfs/dbraw/zinc/42/16/60/565421660.db2.gz QDSWLJSHTKPHJU-GFCCVEGCSA-N 1 0 384.299 2.518 20 0 GFADRO CS(=O)(=O)N1CC[C@@H](C[NH2+]C2(c3ccc(C(F)(F)F)cc3)CCC2)C1 ZINC000621351610 565422136 /nfs/dbraw/zinc/42/21/36/565422136.db2.gz YYVMRZKRYSDRLZ-ZDUSSCGKSA-N 1 0 376.444 2.956 20 0 GFADRO Cc1cc(Br)cc(CN2CCOC3(C[NH2+]C3)C2)c1OC(F)F ZINC000663512666 565424632 /nfs/dbraw/zinc/42/46/32/565424632.db2.gz LXFKJKDIHCYKKI-UHFFFAOYSA-N 1 0 377.229 2.533 20 0 GFADRO CCOc1ccc(Br)cc1S(=O)(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000643223159 565425332 /nfs/dbraw/zinc/42/53/32/565425332.db2.gz CSPRNHPJVLSNEA-CYBMUJFWSA-N 1 0 391.331 2.563 20 0 GFADRO CC1([NH3+])CCN(C(=O)C(=O)Nc2ccc(OC(F)(F)F)cc2Cl)CC1 ZINC000663604972 565428354 /nfs/dbraw/zinc/42/83/54/565428354.db2.gz PWSDPPNJHDAQOJ-UHFFFAOYSA-N 1 0 379.766 2.517 20 0 GFADRO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)Nc1ccc(OC(F)(F)F)cc1Cl ZINC000663606925 565428971 /nfs/dbraw/zinc/42/89/71/565428971.db2.gz ZMMHNKBURCJDGJ-LLVKDONJSA-N 1 0 381.782 2.667 20 0 GFADRO Cn1c(Sc2nc(C3CC3)ncc2Br)nnc1[C@@H]1CCC[NH2+]C1 ZINC000663630277 565429363 /nfs/dbraw/zinc/42/93/63/565429363.db2.gz VMSLSYXZOAKASK-SNVBAGLBSA-N 1 0 395.330 2.863 20 0 GFADRO O=C(NCCCc1cccc(Br)c1)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000643495171 565434344 /nfs/dbraw/zinc/43/43/44/565434344.db2.gz DZMKOUUPXGJPAD-QGZVFWFLSA-N 1 0 391.313 2.933 20 0 GFADRO CCN(C(=O)NCCC(=O)Nc1ccc(Br)cc1)[C@@H]1CC[N@H+](C)C1 ZINC000663764472 565435192 /nfs/dbraw/zinc/43/51/92/565435192.db2.gz NJNNFYPODXCPOA-OAHLLOKOSA-N 1 0 397.317 2.513 20 0 GFADRO [NH3+][C@]12CCC[C@H]1CN(C(=O)c1ncc(Br)cc1Br)C2 ZINC000621680619 565436967 /nfs/dbraw/zinc/43/69/67/565436967.db2.gz FIHAGIHQFMNTML-SDBXPKJASA-N 1 0 389.091 2.560 20 0 GFADRO Cc1nc(C(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)nn1-c1c(Cl)cccc1Cl ZINC000621690683 565437153 /nfs/dbraw/zinc/43/71/53/565437153.db2.gz WRNOJCJESUKBSD-GTNSWQLSSA-N 1 0 380.279 2.836 20 0 GFADRO C[C@H]1COCC[C@H]1Nc1ncnc(N[C@H]2CCOC[C@H]2C)c1Br ZINC000663841584 565438299 /nfs/dbraw/zinc/43/82/99/565438299.db2.gz HARAPHVDLVDPQG-FNFFVJSTSA-N 1 0 385.306 2.913 20 0 GFADRO O=C(NCCc1ccc(F)c(Br)c1)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000594972394 565438728 /nfs/dbraw/zinc/43/87/28/565438728.db2.gz LTCPJTXHWZQTGX-AWEZNQCLSA-N 1 0 384.293 2.914 20 0 GFADRO C[C@@H]([NH2+]CC[C@@H]1CC1(F)F)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000621768702 565441216 /nfs/dbraw/zinc/44/12/16/565441216.db2.gz UASMCKUVBYPLPM-PSASIEDQSA-N 1 0 383.258 2.792 20 0 GFADRO COc1cc(CNC(=O)NCC[C@H](C)[NH+](C)C)cc(Br)c1OC ZINC000663885572 565442223 /nfs/dbraw/zinc/44/22/23/565442223.db2.gz FWPIBGXVCVTODJ-NSHDSACASA-N 1 0 388.306 2.606 20 0 GFADRO Cc1ccc(I)cc1NC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000595233236 565457037 /nfs/dbraw/zinc/45/70/37/565457037.db2.gz JAVSDASKDRKOTD-GHMZBOCLSA-N 1 0 377.201 2.503 20 0 GFADRO CC(C)N1CC[C@H]([NH2+][C@H]2CCc3ccc(I)cc32)C1=O ZINC000595019238 565443699 /nfs/dbraw/zinc/44/36/99/565443699.db2.gz KUSUZFQMVODAKH-GJZGRUSLSA-N 1 0 384.261 2.877 20 0 GFADRO CO[C@H](C[NH2+][C@@H](C)c1ccccc1I)[C@@H]1CCOC1 ZINC000595060206 565445443 /nfs/dbraw/zinc/44/54/43/565445443.db2.gz JZNVKLVINLOBKN-YWPYICTPSA-N 1 0 375.250 2.993 20 0 GFADRO Cc1ccc(CN(CC[NH+](C)C)C(=O)c2cc(Br)c[nH]c2=O)o1 ZINC000621912403 565448602 /nfs/dbraw/zinc/44/86/02/565448602.db2.gz IKROYHKRCYYPCK-UHFFFAOYSA-N 1 0 382.258 2.655 20 0 GFADRO C[C@H](CNC(=O)[C@@H]1C[NH2+]CCC1(F)F)Oc1ccc(Br)cc1 ZINC000643984132 565454235 /nfs/dbraw/zinc/45/42/35/565454235.db2.gz XSCNFAOGPPGOLJ-MFKMUULPSA-N 1 0 377.229 2.577 20 0 GFADRO C[C@@H](CCNC(=O)NCCOc1ncc(C(F)(F)F)cc1Cl)[NH+](C)C ZINC000664213024 565455455 /nfs/dbraw/zinc/45/54/55/565455455.db2.gz MNPMHAPECGXQPC-JTQLQIEISA-N 1 0 382.814 2.772 20 0 GFADRO COC(=O)c1cc(Br)c(F)cc1NC(=O)N(C)CC(C)(C)[NH3+] ZINC000595232895 565456855 /nfs/dbraw/zinc/45/68/55/565456855.db2.gz DFVIJXPPNNASJY-UHFFFAOYSA-N 1 0 376.226 2.576 20 0 GFADRO CCSC1(CNC(=O)C(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)CC1 ZINC000595251648 565458137 /nfs/dbraw/zinc/45/81/37/565458137.db2.gz RCWDYGJABVZUKZ-UHFFFAOYSA-N 1 0 375.416 2.505 20 0 GFADRO CCOc1cc(Br)c(CC(=O)N2CC[NH2+]CC2(C)C)cc1OCC ZINC000644076042 565458235 /nfs/dbraw/zinc/45/82/35/565458235.db2.gz WPCBNTRLINMEPO-UHFFFAOYSA-N 1 0 399.329 2.999 20 0 GFADRO Cc1cc(CNC(=O)NCC2([NH3+])CCCC2)ccc1I ZINC000595263359 565460325 /nfs/dbraw/zinc/46/03/25/565460325.db2.gz UNVFPXWEUSHHJW-UHFFFAOYSA-N 1 0 387.265 2.670 20 0 GFADRO O=C(NCCOCC(F)(F)F)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000622607271 565472411 /nfs/dbraw/zinc/47/24/11/565472411.db2.gz KSODDBJZPYQSTA-CYBMUJFWSA-N 1 0 379.448 2.838 20 0 GFADRO [NH3+][C@@H]1CC[C@H](C(F)(F)F)N(C(=O)COc2cccc(Br)c2)C1 ZINC000622761412 565473787 /nfs/dbraw/zinc/47/37/87/565473787.db2.gz GYRALZKAAPHCCC-ZYHUDNBSSA-N 1 0 381.192 2.709 20 0 GFADRO COc1nc(C)cc(C)c1C[NH2+]C[C@@H](O)COc1cccc(Br)c1 ZINC000644541976 565480015 /nfs/dbraw/zinc/48/00/15/565480015.db2.gz DUTXEFHNIVHRTP-OAHLLOKOSA-N 1 0 395.297 2.999 20 0 GFADRO CCC1(O)CCC([NH2+]CCS(=O)(=O)c2cccc(Br)c2)CC1 ZINC000644613404 565485389 /nfs/dbraw/zinc/48/53/89/565485389.db2.gz IEFDGTVHYGKQHG-UHFFFAOYSA-N 1 0 390.343 2.896 20 0 GFADRO C[C@H]1C[C@H](NC(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)c2ccsc2S1(=O)=O ZINC000664934611 565485730 /nfs/dbraw/zinc/48/57/30/565485730.db2.gz FUCRTQHSJOUGGX-SCRDCRAPSA-N 1 0 385.555 2.527 20 0 GFADRO Cc1cccc(OC[C@@H](O)C[NH2+]CCCCn2cc(Br)cn2)c1 ZINC000644635952 565486205 /nfs/dbraw/zinc/48/62/05/565486205.db2.gz QEVWVQCNLMEKSV-INIZCTEOSA-N 1 0 382.302 2.764 20 0 GFADRO Cc1ccc(NC(=O)CC[NH2+]Cc2ccc(S(C)(=O)=O)c(Cl)c2)nc1 ZINC000644632479 565486615 /nfs/dbraw/zinc/48/66/15/565486615.db2.gz NBIQOCXYQJPABD-UHFFFAOYSA-N 1 0 381.885 2.565 20 0 GFADRO CC(C)[C@H](C[NH2+]C[C@H](O)COc1cccc(Br)c1)c1ccnn1C ZINC000644630363 565486644 /nfs/dbraw/zinc/48/66/44/565486644.db2.gz VIEDSIJXQOVXLR-RDJZCZTQSA-N 1 0 396.329 2.952 20 0 GFADRO O[C@@H](C[NH2+]CCc1ccc2c[nH]nc2c1)COc1ccc(Br)cc1 ZINC000644642159 565487610 /nfs/dbraw/zinc/48/76/10/565487610.db2.gz LZIOMJPJVMKSPD-INIZCTEOSA-N 1 0 390.281 2.897 20 0 GFADRO C[N@@H+]1CCCN(C(=O)Cc2ccc(Br)c(Br)c2)CC1 ZINC000665162596 565492128 /nfs/dbraw/zinc/49/21/28/565492128.db2.gz WGSKVAKWNCJVON-UHFFFAOYSA-N 1 0 390.119 2.918 20 0 GFADRO O=C(c1nc(C2CC2)ncc1Br)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000623053678 565493074 /nfs/dbraw/zinc/49/30/74/565493074.db2.gz MSCZOPUIVODQDC-GXTWGEPZSA-N 1 0 379.302 2.721 20 0 GFADRO [NH3+]Cc1cc(=O)[nH]c(CN[C@@H]2CCSc3ccc(Br)cc32)n1 ZINC000665290544 565496259 /nfs/dbraw/zinc/49/62/59/565496259.db2.gz CIPWBBKAYQLBQP-GFCCVEGCSA-N 1 0 381.299 2.730 20 0 GFADRO C[N@@H+]1C[C@@H]2CCCN(C(=O)c3cnc4ncc(Br)cc4c3)[C@@H]2C1 ZINC000644826893 565496463 /nfs/dbraw/zinc/49/64/63/565496463.db2.gz CAQRBSJZPNUMHR-XHDPSFHLSA-N 1 0 375.270 2.559 20 0 GFADRO O=C(CNC(=O)C[N@@H+]1CC[C@@H](C2CCC2)C1)Nc1ccccc1Br ZINC000665288482 565496496 /nfs/dbraw/zinc/49/64/96/565496496.db2.gz OXGDQCPLGJJUTH-CQSZACIVSA-N 1 0 394.313 2.626 20 0 GFADRO C[C@H](CC(=O)c1cccc(Br)c1)C(=O)N1CC[C@@H]2C[N@H+](C)C[C@H]21 ZINC000644811815 565496608 /nfs/dbraw/zinc/49/66/08/565496608.db2.gz BQVNKLOXRUFMOS-XNRPHZJLSA-N 1 0 379.298 2.821 20 0 GFADRO C[N@@H+]1CC[C@@H](C(=O)N(CCn2ccnc2)Cc2ccccc2Br)C1 ZINC000644887858 565501617 /nfs/dbraw/zinc/50/16/17/565501617.db2.gz JCEDJOKEDGHFTA-MRXNPFEDSA-N 1 0 391.313 2.626 20 0 GFADRO COC(=O)c1sc2c(c1Br)CN(C(=O)[C@H]1[NH2+]CCC1(C)C)C2 ZINC000596002070 565504858 /nfs/dbraw/zinc/50/48/58/565504858.db2.gz QYHMSPBEHPLZMP-GFCCVEGCSA-N 1 0 387.299 2.528 20 0 GFADRO COC(=O)[C@H](NC1CC[NH+]([C@@H]2CCOC2)CC1)c1ccccc1Br ZINC000596048309 565509450 /nfs/dbraw/zinc/50/94/50/565509450.db2.gz UFSHTCOGEABSAW-RHSMWYFYSA-N 1 0 397.313 2.506 20 0 GFADRO C[C@H]([NH2+]CC(=O)N1CCOC[C@H]1C1CC1)c1ccc(F)c(Br)c1 ZINC000645193380 565515507 /nfs/dbraw/zinc/51/55/07/565515507.db2.gz GKIHUXLFUUCCJE-ZBEGNZNMSA-N 1 0 385.277 2.876 20 0 GFADRO C[C@@H](NC(=O)N1CN(CC[NH+](C)C)C(=O)[C@@H]1C)c1cc(Cl)ccc1Cl ZINC000645185057 565515900 /nfs/dbraw/zinc/51/59/00/565515900.db2.gz JHJHCSVBDQWTAL-NEPJUHHUSA-N 1 0 387.311 2.816 20 0 GFADRO COc1ccc(Br)cc1C1(NC(=O)N[C@H]2CCC[N@H+](C)C2)CC1 ZINC000645201679 565517061 /nfs/dbraw/zinc/51/70/61/565517061.db2.gz HHOTZOHGJVTCNZ-ZDUSSCGKSA-N 1 0 382.302 2.840 20 0 GFADRO O[C@@H]1CCC[C@H]1[NH2+]Cc1cc(Cl)cc(Cl)c1OCCN1CCOCC1 ZINC000623545330 565517960 /nfs/dbraw/zinc/51/79/60/565517960.db2.gz HSZAVPVEGUQEDB-IAGOWNOFSA-N 1 0 389.323 2.707 20 0 GFADRO COc1ccc(C[NH2+]C[C@H]2CCCN2CC(F)F)c(Br)c1O ZINC000623625376 565521742 /nfs/dbraw/zinc/52/17/42/565521742.db2.gz QGHRMEJZQGXRED-LLVKDONJSA-N 1 0 379.245 2.982 20 0 GFADRO Cc1ccc(C[NH2+][C@@H]2CCN(c3ccc4nncn4n3)C2)c(Br)c1 ZINC000623652481 565522882 /nfs/dbraw/zinc/52/28/82/565522882.db2.gz HJOMDTXKHPFCRE-CQSZACIVSA-N 1 0 387.285 2.564 20 0 GFADRO COc1cccc2c1OCC[C@H]2[NH2+]Cc1ccc(S(N)(=O)=O)c(Cl)c1 ZINC000666273478 565529480 /nfs/dbraw/zinc/52/94/80/565529480.db2.gz KHFLRLSTHQTJPK-CQSZACIVSA-N 1 0 382.869 2.609 20 0 GFADRO Cc1c(Br)cncc1C[NH2+]C[C@H]1CN(Cc2ccncc2)CCO1 ZINC000623783414 565530892 /nfs/dbraw/zinc/53/08/92/565530892.db2.gz LPPPUEGYHMWUSX-KRWDZBQOSA-N 1 0 391.313 2.538 20 0 GFADRO O=S1(=O)CCC(O)(C[NH2+][C@@H]2CCCC[C@@H]2Sc2ccc(F)cc2)CC1 ZINC000623897599 565535217 /nfs/dbraw/zinc/53/52/17/565535217.db2.gz PQZHMHYUGZRZGT-SJORKVTESA-N 1 0 387.542 2.758 20 0 GFADRO O=S1(=O)CCC(O)(C[NH2+][C@@H]2CCCC[C@H]2Sc2ccc(F)cc2)CC1 ZINC000623897597 565535323 /nfs/dbraw/zinc/53/53/23/565535323.db2.gz PQZHMHYUGZRZGT-IAGOWNOFSA-N 1 0 387.542 2.758 20 0 GFADRO O=C1NC(=O)C2(CCC([NH2+]Cc3cc(Cl)cc(Br)c3)CC2)N1 ZINC000666424774 565536664 /nfs/dbraw/zinc/53/66/64/565536664.db2.gz AEAUHWFQYUQIAQ-UHFFFAOYSA-N 1 0 386.677 2.713 20 0 GFADRO O=C(NCC[NH+]1CCCCC1)[C@@H]1CCO[C@H]1c1cncc(Br)c1 ZINC000666424168 565537165 /nfs/dbraw/zinc/53/71/65/565537165.db2.gz GSCUVMNTXWKOND-CVEARBPZSA-N 1 0 382.302 2.524 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1cc(Br)cc2c1OCCO2 ZINC000666428583 565537955 /nfs/dbraw/zinc/53/79/55/565537955.db2.gz UKSWJYMNZFHXHO-GFCCVEGCSA-N 1 0 383.286 2.825 20 0 GFADRO C[N@@H+]1CCC[C@H](CNS(=O)(=O)CCC[C@H]2CCOC2)[C@@H]1c1cccs1 ZINC000645561679 565538206 /nfs/dbraw/zinc/53/82/06/565538206.db2.gz HIIUXRLQASRPJS-LZLYRXPVSA-N 1 0 386.583 2.867 20 0 GFADRO COCCNC(=O)C1([NH2+][C@H](C)Cc2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000624000161 565539117 /nfs/dbraw/zinc/53/91/17/565539117.db2.gz QIWHAYIXUZFZQC-SNVBAGLBSA-N 1 0 379.810 2.570 20 0 GFADRO COc1cc(I)ccc1NC(=O)NCC[C@H](C)[NH+](C)C ZINC000596924355 565541999 /nfs/dbraw/zinc/54/19/99/565541999.db2.gz PCBBTLDVPVCXIP-JTQLQIEISA-N 1 0 391.253 2.762 20 0 GFADRO Brc1ccc2c(c1)CC[C@H]2[NH2+][C@H]1CCN(c2ccc3nncn3n2)C1 ZINC000624113259 565544156 /nfs/dbraw/zinc/54/41/56/565544156.db2.gz AOSFFNHIIRKAOY-GOEBONIOSA-N 1 0 399.296 2.743 20 0 GFADRO CC(C)Sc1c(Cl)cccc1NC(=O)C(=O)N1CC[C@@H]2C[N@H+](C)C[C@H]21 ZINC000645624330 565544769 /nfs/dbraw/zinc/54/47/69/565544769.db2.gz BCIFGUKTPNTABS-IUODEOHRSA-N 1 0 381.929 2.942 20 0 GFADRO Cc1c(Br)cncc1CN1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000597025900 565549063 /nfs/dbraw/zinc/54/90/63/565549063.db2.gz JCQPRPWMUAXGPK-KRWDZBQOSA-N 1 0 381.362 2.753 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CN(S(=O)(=O)c2cccc(Sc3ccccc3)c2)CCO1 ZINC000624358763 565552072 /nfs/dbraw/zinc/55/20/72/565552072.db2.gz SWAOYYXEANMBEJ-KDOFPFPSSA-N 1 0 378.519 2.575 20 0 GFADRO C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@@H]1CCN(C2CCC2)C1=O ZINC000624342501 565552094 /nfs/dbraw/zinc/55/20/94/565552094.db2.gz FSKBQOCIUCRYIP-BLLLJJGKSA-N 1 0 394.313 2.909 20 0 GFADRO Cc1cc(Br)c(F)cc1S(=O)(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000624356052 565552299 /nfs/dbraw/zinc/55/22/99/565552299.db2.gz NUXNQUHPOGTEAK-WDEREUQCSA-N 1 0 379.295 2.645 20 0 GFADRO C[C@H]([NH3+])[C@H]1CN(S(=O)(=O)c2cccc(Sc3ccccc3)c2)CCO1 ZINC000624358762 565552613 /nfs/dbraw/zinc/55/26/13/565552613.db2.gz SWAOYYXEANMBEJ-KBXCAEBGSA-N 1 0 378.519 2.575 20 0 GFADRO C[C@H]([NH3+])[C@H]1CN(C(=O)Nc2cc(Cl)ccc2OCC(F)(F)F)CCO1 ZINC000666728335 565553660 /nfs/dbraw/zinc/55/36/60/565553660.db2.gz JNIWMJWZEPZIRQ-TVQRCGJNSA-N 1 0 381.782 2.861 20 0 GFADRO Cc1cc(Br)c(F)cc1S(=O)(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000624364697 565553811 /nfs/dbraw/zinc/55/38/11/565553811.db2.gz YANNOIBWFRUVKW-LLVKDONJSA-N 1 0 379.295 2.646 20 0 GFADRO C[C@@H]1CC[C@@H](NS(=O)(=O)Cc2ccc(Cl)cc2Br)C[NH2+]1 ZINC000624403973 565555693 /nfs/dbraw/zinc/55/56/93/565555693.db2.gz DWZNRRXHEACDAX-BXKDBHETSA-N 1 0 381.723 2.662 20 0 GFADRO C[NH2+]CCOCCNS(=O)(=O)c1ccc(Oc2ccccc2Cl)cc1 ZINC000624395064 565556063 /nfs/dbraw/zinc/55/60/63/565556063.db2.gz CRHIPBCCBAVEJI-UHFFFAOYSA-N 1 0 384.885 2.647 20 0 GFADRO O=C([C@@H]1C[C@H]1C1CC[NH2+]CC1)N1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000645750674 565558810 /nfs/dbraw/zinc/55/88/10/565558810.db2.gz GSRDRRNFZAOTPI-KSZLIROESA-N 1 0 393.325 2.985 20 0 GFADRO Cc1cc(NC(=O)N(CC[NH+](C)C)CC(=O)N(C)C)cc(C)c1Br ZINC000666888020 565560736 /nfs/dbraw/zinc/56/07/36/565560736.db2.gz SKRABWKEBHPFQQ-UHFFFAOYSA-N 1 0 399.333 2.550 20 0 GFADRO CS(=O)(=O)N[C@H]1CCCN(Cc2cc(Br)cc3cccnc32)C1 ZINC000624556212 565563940 /nfs/dbraw/zinc/56/39/40/565563940.db2.gz KFQRCXKKULWAGW-HNNXBMFYSA-N 1 0 398.326 2.511 20 0 GFADRO Cc1cc(C)c(C(=O)N2CCC3(C[NH+](C)C3)C2)cc1I ZINC000597567239 565564989 /nfs/dbraw/zinc/56/49/89/565564989.db2.gz CGINJDIGLVAEQQ-UHFFFAOYSA-N 1 0 384.261 2.686 20 0 GFADRO Cc1cc(Br)cc(NC(=O)C(=O)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)c1 ZINC000645820390 565565072 /nfs/dbraw/zinc/56/50/72/565565072.db2.gz RKMXTXOEBDWUDK-SFHVURJKSA-N 1 0 394.313 2.640 20 0 GFADRO C[N@@H+]1CCCC[C@@H](CNC(=O)N[C@H](CO)c2cccc(Br)c2)C1 ZINC000624612379 565566225 /nfs/dbraw/zinc/56/62/25/565566225.db2.gz SHYBHNPHYAORJS-XJKSGUPXSA-N 1 0 384.318 2.514 20 0 GFADRO C[NH+](C)C1(C(=O)NCc2ccc(I)cc2Cl)CC1 ZINC000597599539 565566428 /nfs/dbraw/zinc/56/64/28/565566428.db2.gz BYRGBCDGYRXPLC-UHFFFAOYSA-N 1 0 378.641 2.655 20 0 GFADRO CC[C@H]1C[N@H+](C)CCCN1C(=O)c1cc(I)ccc1F ZINC000597603215 565567462 /nfs/dbraw/zinc/56/74/62/565567462.db2.gz ARALTZWBTVYTJO-LBPRGKRZSA-N 1 0 390.240 2.987 20 0 GFADRO CC[C@@H]1C[N@H+](C)CCCN1C(=O)c1ccc(F)c(I)c1 ZINC000597604465 565567516 /nfs/dbraw/zinc/56/75/16/565567516.db2.gz IMSCEUJBYUZEDS-GFCCVEGCSA-N 1 0 390.240 2.987 20 0 GFADRO CCN(C(=O)Nc1ccc2nccnc2c1Br)[C@H]1CC[N@H+](C)C1 ZINC000667079771 565568008 /nfs/dbraw/zinc/56/80/08/565568008.db2.gz BBKJRWUVDMPYJE-NSHDSACASA-N 1 0 378.274 2.950 20 0 GFADRO CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCCC(=O)Nc1ccc(Br)cc1C ZINC000645858382 565569429 /nfs/dbraw/zinc/56/94/29/565569429.db2.gz ZJOCWOUAQMURAK-KGLIPLIRSA-N 1 0 382.302 2.590 20 0 GFADRO C[NH+](C)CC1CN(C(=O)CSCc2ccc(Br)cc2F)C1 ZINC000597708845 565571056 /nfs/dbraw/zinc/57/10/56/565571056.db2.gz PSOAJNUIAFNCDN-UHFFFAOYSA-N 1 0 375.307 2.841 20 0 GFADRO CN(CC1C[NH+](C)C1)C(=O)Nc1nnc(COc2ccc(Cl)cc2)s1 ZINC000667235238 565579221 /nfs/dbraw/zinc/57/92/21/565579221.db2.gz AACFTNZXTYSBBN-UHFFFAOYSA-N 1 0 381.889 2.796 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)Cc2ccccc2I)C1 ZINC000597921478 565581725 /nfs/dbraw/zinc/58/17/25/565581725.db2.gz FYGOPULIDHKVBX-ZDUSSCGKSA-N 1 0 386.277 2.823 20 0 GFADRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NCc1csc(C(F)(F)F)c1 ZINC000624931898 565583733 /nfs/dbraw/zinc/58/37/33/565583733.db2.gz ZSEBFUGXAFYTFH-LLVKDONJSA-N 1 0 379.448 2.754 20 0 GFADRO O=C(NC[C@@H]1CCCC[NH2+]1)Nc1ccnn1Cc1ccccc1Br ZINC000667430853 565586446 /nfs/dbraw/zinc/58/64/46/565586446.db2.gz KDBFKXHGVQCOOF-AWEZNQCLSA-N 1 0 392.301 2.958 20 0 GFADRO C[C@@H](CCNC(=O)C1(c2ccc(I)cc2)CC1)[NH+](C)C ZINC000597993607 565586908 /nfs/dbraw/zinc/58/69/08/565586908.db2.gz TXMDQQCYVRWCRK-LBPRGKRZSA-N 1 0 386.277 2.779 20 0 GFADRO C[C@H](CNC(=O)[C@@H]1C[C@H]1C1CC[NH2+]CC1)Oc1ccc(Br)cc1 ZINC000646116123 565587862 /nfs/dbraw/zinc/58/78/62/565587862.db2.gz CYYNZTWRCNRYNU-OAUYIBNBSA-N 1 0 381.314 2.968 20 0 GFADRO C[NH+](C)CCn1cc(NC(=O)[C@@H]2[C@@H]3Cc4c(cccc4Br)[C@@H]32)cn1 ZINC000624995932 565588118 /nfs/dbraw/zinc/58/81/18/565588118.db2.gz QBBNUCMTDIJMDT-HYVNUMGLSA-N 1 0 389.297 2.732 20 0 GFADRO Cc1c(F)c(Br)ccc1NC(=O)N1C[C@H](C)[N@@H+](CCO)C[C@H]1C ZINC000667505708 565591302 /nfs/dbraw/zinc/59/13/02/565591302.db2.gz YBXXQPMEFDHIII-WDEREUQCSA-N 1 0 388.281 2.815 20 0 GFADRO CC1([NH3+])CCN(C(=O)C(=O)Nc2cc(Cl)ccc2OC(F)(F)F)CC1 ZINC000667515177 565592547 /nfs/dbraw/zinc/59/25/47/565592547.db2.gz BAUMCQRYSRGJDQ-UHFFFAOYSA-N 1 0 379.766 2.517 20 0 GFADRO O=C(Nc1ccc2nccnc2c1Br)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000667590704 565595852 /nfs/dbraw/zinc/59/58/52/565595852.db2.gz OCHGYGNYCCXXNO-GWCFXTLKSA-N 1 0 376.258 2.608 20 0 GFADRO O=C([C@H](c1ccc(Br)cc1)N1CCCC1)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000646340219 565597727 /nfs/dbraw/zinc/59/77/27/565597727.db2.gz DASXGEAZDLHHDG-WBAXXEDZSA-N 1 0 392.341 2.796 20 0 GFADRO CC(=O)NC[C@@H]1CCC[N@@H+]([C@@H]2CCc3cc(Br)ccc3NC2=O)C1 ZINC000625108413 565598613 /nfs/dbraw/zinc/59/86/13/565598613.db2.gz OMHJLUVWMRBDRA-SUMWQHHRSA-N 1 0 394.313 2.551 20 0 GFADRO O=C([C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000646342061 565598641 /nfs/dbraw/zinc/59/86/41/565598641.db2.gz VSKOKTLDXIWPMU-PVXIVEMSSA-N 1 0 382.291 2.557 20 0 GFADRO O=C([C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000646342062 565598687 /nfs/dbraw/zinc/59/86/87/565598687.db2.gz VSKOKTLDXIWPMU-RBOXIYTFSA-N 1 0 382.291 2.557 20 0 GFADRO O=C([C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000646342059 565599104 /nfs/dbraw/zinc/59/91/04/565599104.db2.gz VSKOKTLDXIWPMU-DETPVDSQSA-N 1 0 382.291 2.557 20 0 GFADRO CCC(C)(C)[NH2+][C@@H](C)C(=O)N[C@H](C(=O)OC)c1ccccc1Br ZINC000598187835 565599709 /nfs/dbraw/zinc/59/97/09/565599709.db2.gz WPTLPSODXSXTJR-FZMZJTMJSA-N 1 0 385.302 2.946 20 0 GFADRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)Nc1cc(Cl)c(Cl)cc1F ZINC000646393682 565601300 /nfs/dbraw/zinc/60/13/00/565601300.db2.gz STYWSHDZOYXRRH-SECBINFHSA-N 1 0 377.247 2.716 20 0 GFADRO Cc1cc(Br)c(Cl)cc1NC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000667685604 565601772 /nfs/dbraw/zinc/60/17/72/565601772.db2.gz FXETZHZOALMPFU-WDEREUQCSA-N 1 0 388.693 2.694 20 0 GFADRO Cc1ccc(Br)cc1CNC(=O)[C@]1([NH3+])[C@@H]2CCCO[C@@H]2C1(C)C ZINC000646519142 565606408 /nfs/dbraw/zinc/60/64/08/565606408.db2.gz HVVWVHQBXSRDRI-RVKKMQEKSA-N 1 0 381.314 2.906 20 0 GFADRO CCC[N@H+](C)[C@H](CNS(=O)(=O)c1cnc(C)n1C)c1ccc(Cl)cc1 ZINC000625203910 565607131 /nfs/dbraw/zinc/60/71/31/565607131.db2.gz IWGULCZGPZITJK-MRXNPFEDSA-N 1 0 384.933 2.743 20 0 GFADRO CCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(I)c(F)c2)C1 ZINC000598342534 565610886 /nfs/dbraw/zinc/61/08/86/565610886.db2.gz OQQKOHXLAKUMEY-LLVKDONJSA-N 1 0 376.213 2.644 20 0 GFADRO COCC[N@@H+]1CC[C@H](NC(=O)Nc2ccc(Br)c3ncccc23)C1 ZINC000667867880 565610950 /nfs/dbraw/zinc/61/09/50/565610950.db2.gz MAFXQDZMEBVGOF-LBPRGKRZSA-N 1 0 393.285 2.840 20 0 GFADRO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)Nc1cccc(Br)c1F ZINC000667917079 565612793 /nfs/dbraw/zinc/61/27/93/565612793.db2.gz XGMGGFUQDIQSFQ-LBPRGKRZSA-N 1 0 389.313 2.982 20 0 GFADRO CCO[C@@H](CS(=O)(=O)NC[C@@H](C[NH+](C)C)c1ccc(Cl)cc1)C1CC1 ZINC000625265320 565613850 /nfs/dbraw/zinc/61/38/50/565613850.db2.gz KIZZBOWVXVBMBY-WMZOPIPTSA-N 1 0 388.961 2.720 20 0 GFADRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)c2cc3cc(Cl)ccc3s2)C1 ZINC000667939750 565615000 /nfs/dbraw/zinc/61/50/00/565615000.db2.gz POYFMDFVCHMSLX-GFCCVEGCSA-N 1 0 379.913 2.872 20 0 GFADRO CN(CCC[NH3+])C(=O)Cc1ccc(NC(=O)c2ccc(Br)o2)cc1 ZINC000646782322 565619524 /nfs/dbraw/zinc/61/95/24/565619524.db2.gz QTPGWCBKMOGDLO-UHFFFAOYSA-N 1 0 394.269 2.644 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CN(C(=O)C2(c3cc(C(F)(F)F)ccc3Cl)CC2)CCO1 ZINC000646854429 565622923 /nfs/dbraw/zinc/62/29/23/565622923.db2.gz VEKKJSYEROHJAY-YGRLFVJLSA-N 1 0 376.806 2.965 20 0 GFADRO C[C@@H]1CN(C(=O)Cc2ccc(Br)c(Cl)c2)[C@@H](C)C[N@@H+]1CCO ZINC000668040800 565623080 /nfs/dbraw/zinc/62/30/80/565623080.db2.gz CSVAEZGDNULLKL-NEPJUHHUSA-N 1 0 389.721 2.559 20 0 GFADRO O=c1[nH]ccc2c1C[N@H+]([C@@H]1CCc3cc(Br)ccc3NC1=O)CC2 ZINC000625372596 565624148 /nfs/dbraw/zinc/62/41/48/565624148.db2.gz FXEWSKVMOSNWLN-MRXNPFEDSA-N 1 0 388.265 2.861 20 0 GFADRO COCC[N@@H+](Cc1cc(Br)cs1)C[C@H](O)CC1(O)CCC1 ZINC000625370506 565624432 /nfs/dbraw/zinc/62/44/32/565624432.db2.gz LCWUIHGJNODBKC-CYBMUJFWSA-N 1 0 378.332 2.625 20 0 GFADRO C[N@@H+]1C[C@H]2CCN(C(=O)CSc3nnc(-c4ccc(Cl)cc4)o3)[C@@H]2C1 ZINC000646919465 565625289 /nfs/dbraw/zinc/62/52/89/565625289.db2.gz IPGPPSDXGAXNSJ-TZMCWYRMSA-N 1 0 378.885 2.645 20 0 GFADRO O=C(c1cc2cc(Br)sc2[nH]1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000646897981 565625669 /nfs/dbraw/zinc/62/56/69/565625669.db2.gz ASFMFDLHKKZSGW-NSHDSACASA-N 1 0 398.326 2.786 20 0 GFADRO C[N@@H+]1C[C@H]2CCN(C(=O)c3cc(Br)ccc3Br)[C@H]2C1 ZINC000646940845 565627793 /nfs/dbraw/zinc/62/77/93/565627793.db2.gz OHDKXKPDTMXIOV-RNCFNFMXSA-N 1 0 388.103 2.988 20 0 GFADRO C[N@@H+]1CCCC[C@H](CNS(=O)(=O)c2cc(Br)c(F)cc2F)C1 ZINC000625421532 565629247 /nfs/dbraw/zinc/62/92/47/565629247.db2.gz MNBSEAOOXZHFEG-SNVBAGLBSA-N 1 0 397.285 2.738 20 0 GFADRO CCC[C@@H]1C[NH2+]CCN1C(=O)c1nnn(-c2cccc(Br)c2)c1C ZINC000646961174 565629555 /nfs/dbraw/zinc/62/95/55/565629555.db2.gz ICJHKYCJKRVTKV-OAHLLOKOSA-N 1 0 392.301 2.552 20 0 GFADRO Cc1c(Br)cncc1CN(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000668162413 565629758 /nfs/dbraw/zinc/62/97/58/565629758.db2.gz ZFOFSCNRXLKNBT-QGZVFWFLSA-N 1 0 381.362 2.753 20 0 GFADRO Cc1ncsc1-c1ccc(C[N@H+]2CCC[C@H](S(=O)(=O)N(C)C)C2)cc1 ZINC000668140192 565629871 /nfs/dbraw/zinc/62/98/71/565629871.db2.gz UJCNDNYVNXNRIU-KRWDZBQOSA-N 1 0 379.551 2.974 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H](NC(=O)c2ncc(Br)cc2Br)C1 ZINC000646996918 565631528 /nfs/dbraw/zinc/63/15/28/565631528.db2.gz CVBBGRFQJZNNOS-RKDXNWHRSA-N 1 0 377.080 2.606 20 0 GFADRO CC[C@@H]1CN(C(=O)[C@@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)CC[C@H]1[NH3+] ZINC000647012266 565632197 /nfs/dbraw/zinc/63/21/97/565632197.db2.gz QUIAUGWOYULYGC-OSAQELSMSA-N 1 0 384.307 2.932 20 0 GFADRO COC(=O)C[C@H](NC(=O)CC[C@@H]1CCC[NH2+]C1)c1ccc(Br)cc1 ZINC000598664777 565632481 /nfs/dbraw/zinc/63/24/81/565632481.db2.gz MUJHAFHEVZRXKG-BBRMVZONSA-N 1 0 397.313 2.949 20 0 GFADRO O=C(CNC(=O)c1sc2ccccc2c1Cl)N[C@H]1CC12CC[NH2+]CC2 ZINC000647055609 565634758 /nfs/dbraw/zinc/63/47/58/565634758.db2.gz BVCIDFRVWKBDLZ-ZDUSSCGKSA-N 1 0 377.897 2.543 20 0 GFADRO C[C@@H](NC(=O)c1nn(-c2cccc(Br)c2)c2c1CCC2)[C@H](C)[NH3+] ZINC000647068522 565635237 /nfs/dbraw/zinc/63/52/37/565635237.db2.gz COKZOZVAJPQHBG-WDEREUQCSA-N 1 0 377.286 2.589 20 0 GFADRO C[C@H](Oc1cc(Cl)cc(Cl)c1)C(=O)N1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000647079344 565635669 /nfs/dbraw/zinc/63/56/69/565635669.db2.gz WSDZFPYXGLFYRL-STQMWFEESA-N 1 0 387.307 2.975 20 0 GFADRO [NH3+]C[C@@H](NC(=O)c1cc(=O)[nH]c2ccc(Br)cc21)C1CCCC1 ZINC000647084326 565636687 /nfs/dbraw/zinc/63/66/87/565636687.db2.gz JLPUCXXFHHYVOJ-OAHLLOKOSA-N 1 0 378.270 2.950 20 0 GFADRO O[C@@H]1CC[N@@H+](C2CCN(Cc3ccc(Br)c(F)c3F)CC2)C1 ZINC000625562115 565639144 /nfs/dbraw/zinc/63/91/44/565639144.db2.gz XSTOPRPTZQUDCC-CYBMUJFWSA-N 1 0 375.257 2.758 20 0 GFADRO C[C@@H]1COCCN1CC[NH2+]Cc1cc(OC(F)F)ccc1Br ZINC000647179382 565644865 /nfs/dbraw/zinc/64/48/65/565644865.db2.gz VTDZLMQLMCEBBA-LLVKDONJSA-N 1 0 379.245 2.861 20 0 GFADRO O=C(c1cc(Br)cc2[nH]c(=O)[nH]c21)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000668423353 565646908 /nfs/dbraw/zinc/64/69/08/565646908.db2.gz VWBDBVCGUGDRCL-LBPRGKRZSA-N 1 0 393.285 2.731 20 0 GFADRO CC1(C)C[NH2+]CCN1S(=O)(=O)Cc1cc(Cl)ccc1Br ZINC000647228620 565647564 /nfs/dbraw/zinc/64/75/64/565647564.db2.gz JJVCKYPRKDUKHV-UHFFFAOYSA-N 1 0 381.723 2.616 20 0 GFADRO [NH3+][C@H]1CCC[C@@H](NS(=O)(=O)Cc2ccc(Br)cc2Cl)C1 ZINC000647259612 565649469 /nfs/dbraw/zinc/64/94/69/565649469.db2.gz FQMYOSLOXTZJNP-NWDGAFQWSA-N 1 0 381.723 2.792 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CCN(S(=O)(=O)Cc2ccc(Br)cc2Cl)C1 ZINC000647266344 565650316 /nfs/dbraw/zinc/65/03/16/565650316.db2.gz RIJMOJBDXYWGAQ-NXEZZACHSA-N 1 0 381.723 2.601 20 0 GFADRO CO[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+][C@H](C)Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC000668506640 565651318 /nfs/dbraw/zinc/65/13/18/565651318.db2.gz LKPCXEMCJVCZBP-BIGNPOOSSA-N 1 0 385.835 2.691 20 0 GFADRO CC[C@H]1CN(S(=O)(=O)c2ccc(Cl)cc2Br)CC[C@H]1[NH3+] ZINC000647269430 565651691 /nfs/dbraw/zinc/65/16/91/565651691.db2.gz SBCOYMQQETUUKJ-JOYOIKCWSA-N 1 0 381.723 2.850 20 0 GFADRO [NH3+]CCN(Cc1ccccc1)S(=O)(=O)Cc1cccc(Br)c1 ZINC000647267627 565651697 /nfs/dbraw/zinc/65/16/97/565651697.db2.gz VEPAASMZYBRXHR-UHFFFAOYSA-N 1 0 383.311 2.740 20 0 GFADRO COC(=O)CC1CCC([NH2+][C@H](C(N)=O)c2cccc(Br)c2)CC1 ZINC000599046341 565653969 /nfs/dbraw/zinc/65/39/69/565653969.db2.gz OJXVIDHZKQYKRG-INORYPFCSA-N 1 0 383.286 2.687 20 0 GFADRO CN(C)C(=O)CN(CC[NH+](C)C)Cc1ccc(Cl)c(Br)c1 ZINC000668557940 565654156 /nfs/dbraw/zinc/65/41/56/565654156.db2.gz CUNPCPDIUNRPGZ-UHFFFAOYSA-N 1 0 376.726 2.554 20 0 GFADRO COc1cc(C[NH2+]C[C@H]2C[C@@H](OC)C2)cc(I)c1OC ZINC000599017333 565654311 /nfs/dbraw/zinc/65/43/11/565654311.db2.gz OTSLAFGUJRMQPM-KLPPZKSPSA-N 1 0 391.249 2.823 20 0 GFADRO CCOC(=O)C(C)(C)CCC[C@H](C)[NH2+][C@@H]1CCCC[C@H]1NS(C)(=O)=O ZINC000599072954 565655094 /nfs/dbraw/zinc/65/50/94/565655094.db2.gz MEXKNORDEVBTOZ-ARFHVFGLSA-N 1 0 376.563 2.585 20 0 GFADRO C[C@@H](CCc1ccc(I)cc1)[NH2+]C[C@@H]1COCCN1C ZINC000599081657 565655207 /nfs/dbraw/zinc/65/52/07/565655207.db2.gz TYOIJJYUPCQGGZ-XJKSGUPXSA-N 1 0 388.293 2.533 20 0 GFADRO CCS(=O)(=O)NCC[N@@H+]1CC[C@@H](Sc2ccc(Br)cc2)C1 ZINC000625703467 565655229 /nfs/dbraw/zinc/65/52/29/565655229.db2.gz HIQHJIWDYTZSPM-CQSZACIVSA-N 1 0 393.372 2.555 20 0 GFADRO O=S(=O)(N[C@@H]1CC12CC[NH2+]CC2)c1csc(-c2ccc(Cl)cc2)n1 ZINC000647302987 565655538 /nfs/dbraw/zinc/65/55/38/565655538.db2.gz CXKBRFRMOGTDQO-CYBMUJFWSA-N 1 0 383.926 2.884 20 0 GFADRO O=S(=O)(N[C@@H]1CC12CC[NH2+]CC2)c1cc(Cl)c(Br)cc1F ZINC000647303269 565655776 /nfs/dbraw/zinc/65/57/76/565655776.db2.gz PVBUZASNNHEFTG-GFCCVEGCSA-N 1 0 397.697 2.662 20 0 GFADRO CN1CC(=O)N(CC[N@@H+]2CC[C@@H](Sc3ccc(Br)cc3)C2)C1=O ZINC000625701516 565655720 /nfs/dbraw/zinc/65/57/20/565655720.db2.gz OZYQEASNIWYRAF-CQSZACIVSA-N 1 0 398.326 2.510 20 0 GFADRO C[C@@H](C[NH2+][C@@H](C)c1ccc(S(=O)(=O)N2CCOCC2)cc1)CC(F)F ZINC000647317218 565656865 /nfs/dbraw/zinc/65/68/65/565656865.db2.gz HVTQILQQBRPRSO-KGLIPLIRSA-N 1 0 376.469 2.649 20 0 GFADRO COC(=O)CCNC(=O)CC[NH2+][C@@H]1C[C@@H](C)c2c1cccc2Br ZINC000599088375 565657022 /nfs/dbraw/zinc/65/70/22/565657022.db2.gz JZLYFXPGANVMNS-BXUZGUMPSA-N 1 0 383.286 2.656 20 0 GFADRO C[C@@H]([NH2+]CC[C@@H]1CSc2ccccc2O1)c1ccc(S(N)(=O)=O)cc1 ZINC000647320837 565657127 /nfs/dbraw/zinc/65/71/27/565657127.db2.gz HIABCCAOBQKJAR-UKRRQHHQSA-N 1 0 378.519 2.928 20 0 GFADRO Cn1cc(Br)c2ccc(S(=O)(=O)N[C@@H](C[NH3+])C(C)(C)C)cc21 ZINC000647324419 565657700 /nfs/dbraw/zinc/65/77/00/565657700.db2.gz VWVPPUWACRXYGE-AWEZNQCLSA-N 1 0 388.331 2.593 20 0 GFADRO C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CC(C)(C)[C@@]1(O)CCOC1 ZINC000647339381 565658055 /nfs/dbraw/zinc/65/80/55/565658055.db2.gz QPZVOQLWVZXWPN-SCLBCKFNSA-N 1 0 399.329 2.933 20 0 GFADRO CCCCCNC(=O)C[NH2+][C@]1(CO)CCc2cc(Br)ccc2C1 ZINC000625795403 565659072 /nfs/dbraw/zinc/65/90/72/565659072.db2.gz UTULDNHEWZOXGN-GOSISDBHSA-N 1 0 383.330 2.565 20 0 GFADRO Cc1nnc(C[NH2+][C@]2(CO)CCc3cc(Br)ccc3C2)n1C1CC1 ZINC000625794712 565659130 /nfs/dbraw/zinc/65/91/30/565659130.db2.gz LVADXQVYWGDUIT-GOSISDBHSA-N 1 0 391.313 2.694 20 0 GFADRO COc1cc(Br)ccc1[C@@H]1CCC[N@@H+]1CCC(=O)N1CCOCC1 ZINC000625793303 565659803 /nfs/dbraw/zinc/65/98/03/565659803.db2.gz SNMCYIIDMOFPSF-INIZCTEOSA-N 1 0 397.313 2.844 20 0 GFADRO C[NH2+]CCOCCNC(=O)Nc1ccc(Br)cc1Br ZINC000625833065 565662722 /nfs/dbraw/zinc/66/27/22/565662722.db2.gz RNPWACQLARJHHT-UHFFFAOYSA-N 1 0 395.095 2.569 20 0 GFADRO CC1(C)CCC[C@@](CO)([NH2+]Cc2cc(=O)n3cc(Br)ccc3n2)C1 ZINC000625832847 565662830 /nfs/dbraw/zinc/66/28/30/565662830.db2.gz QUAFOMZXCGFRHT-GOSISDBHSA-N 1 0 394.313 2.878 20 0 GFADRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)Nc1ccc(CCn2cc(Br)cn2)cc1 ZINC000625863691 565663326 /nfs/dbraw/zinc/66/33/26/565663326.db2.gz LLKDUOWPEDZIRA-BLLLJJGKSA-N 1 0 392.301 2.760 20 0 GFADRO Cc1nc2cc(Br)cc(NC(=O)NCC3([NH3+])CCOCC3)c2o1 ZINC000625879127 565664342 /nfs/dbraw/zinc/66/43/42/565664342.db2.gz HGRZRYWLTAIFCH-UHFFFAOYSA-N 1 0 383.246 2.528 20 0 GFADRO C[NH+](C)C[C@@]1(O)CCCN(C(=O)C(C)(C)c2cccc(Br)c2)C1 ZINC000647624882 565667157 /nfs/dbraw/zinc/66/71/57/565667157.db2.gz PQXPQYPXFDZSTM-SFHVURJKSA-N 1 0 383.330 2.642 20 0 GFADRO C[NH+](C)C[C@]1(O)CCCN(C(=O)C(C)(C)c2cccc(Br)c2)C1 ZINC000647624881 565667439 /nfs/dbraw/zinc/66/74/39/565667439.db2.gz PQXPQYPXFDZSTM-GOSISDBHSA-N 1 0 383.330 2.642 20 0 GFADRO Cc1cc(Br)cn2c(CN3CCO[C@H](CCC[NH+](C)C)C3)cnc12 ZINC000668785816 565667770 /nfs/dbraw/zinc/66/77/70/565667770.db2.gz YAYKUNVCJXDCJO-QGZVFWFLSA-N 1 0 395.345 2.948 20 0 GFADRO Cn1cc(CC[N@@H+]2CCC[C@H]2c2ccccc2I)nn1 ZINC000599296243 565668362 /nfs/dbraw/zinc/66/83/62/565668362.db2.gz SFOVGYWEHGPPHA-HNNXBMFYSA-N 1 0 382.249 2.799 20 0 GFADRO C[NH+](C)[C@@]1(CNC(=O)[C@@H]2CCCN2Cc2ccc(Cl)cc2)CCSC1 ZINC000625985543 565668440 /nfs/dbraw/zinc/66/84/40/565668440.db2.gz SNQCGBJBCNLLAJ-PKOBYXMFSA-N 1 0 381.973 2.858 20 0 GFADRO COCC[N@H+](C)C[C@@H](O)CN1CCC[C@H]1c1ccc(Br)cc1C ZINC000626010252 565670789 /nfs/dbraw/zinc/67/07/89/565670789.db2.gz MAIHGBSPYCYYMS-AEFFLSMTSA-N 1 0 385.346 2.834 20 0 GFADRO C[NH+](C)C1CC(NC(=O)CCc2nc(-c3cc(Br)cs3)no2)C1 ZINC000647675046 565670826 /nfs/dbraw/zinc/67/08/26/565670826.db2.gz LWIIEQNFGKNJIU-UHFFFAOYSA-N 1 0 399.314 2.702 20 0 GFADRO O=C(CSc1cc(Cl)ccc1Cl)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000647706225 565671908 /nfs/dbraw/zinc/67/19/08/565671908.db2.gz FTSBMYQDJNXSQD-OLZOCXBDSA-N 1 0 375.321 2.753 20 0 GFADRO FCCC[NH+]1CCN(Cc2noc(Cc3ccc(Br)cc3)n2)CC1 ZINC000626072358 565673889 /nfs/dbraw/zinc/67/38/89/565673889.db2.gz RUPNYBLDQKVBNK-UHFFFAOYSA-N 1 0 397.292 2.900 20 0 GFADRO C[C@H]1COCC[N@@H+]1C1CCN(C(=O)Cc2cccc(Br)c2)CC1 ZINC000647764450 565674659 /nfs/dbraw/zinc/67/46/59/565674659.db2.gz ZCLPMXMDTUOITA-AWEZNQCLSA-N 1 0 381.314 2.703 20 0 GFADRO Cc1noc([C@@H]2OCC[C@@H]2[NH2+]CCC(=O)Nc2ccccc2Br)n1 ZINC000626144669 565677693 /nfs/dbraw/zinc/67/76/93/565677693.db2.gz NRYRGUVZBFMBFG-DZGCQCFKSA-N 1 0 395.257 2.589 20 0 GFADRO CC(=O)NC[C@H]1CCCC[N@@H+]1C[C@@H](O)COc1cc(Cl)ccc1Cl ZINC000626154170 565678974 /nfs/dbraw/zinc/67/89/74/565678974.db2.gz IWPZHTWMYVNJBK-HUUCEWRRSA-N 1 0 375.296 2.724 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CN([C@@H](C)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CCO1 ZINC000647860598 565679334 /nfs/dbraw/zinc/67/93/34/565679334.db2.gz OFRBAZBTPGXROC-BHDSKKPTSA-N 1 0 379.810 2.734 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CN(CC(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)CCO1 ZINC000647863498 565680797 /nfs/dbraw/zinc/68/07/97/565680797.db2.gz CRUWGQGBKIMQRT-VUCTXSBTSA-N 1 0 386.323 2.705 20 0 GFADRO CNS(=O)(=O)C[C@H]1CCC[N@@H+]([C@H](C)c2ccc(OC(F)(F)F)cc2)C1 ZINC000626168774 565681219 /nfs/dbraw/zinc/68/12/19/565681219.db2.gz ZHVRLEQRJXEWEJ-OLZOCXBDSA-N 1 0 380.432 2.907 20 0 GFADRO COc1cc(C(=O)N2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)ccc1Br ZINC000626227504 565684423 /nfs/dbraw/zinc/68/44/23/565684423.db2.gz VPHHRGZHVWIAOB-UKPHBRMFSA-N 1 0 397.313 2.781 20 0 GFADRO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2cc(Br)cc3[nH]c(=O)[nH]c32)C1 ZINC000669344788 565686290 /nfs/dbraw/zinc/68/62/90/565686290.db2.gz ALNFDJIKBFMHAE-LLVKDONJSA-N 1 0 395.301 2.835 20 0 GFADRO C[C@H]1CN(Cc2cc(OC(F)F)ccc2Br)CC[N@@H+]1CCO ZINC000648026237 565688164 /nfs/dbraw/zinc/68/81/64/565688164.db2.gz WJTJFYYPIDJNCZ-NSHDSACASA-N 1 0 379.245 2.549 20 0 GFADRO COC(=O)[C@@]1(OC)CC[N@H+](CCCc2ccc(Br)cc2OC)C1 ZINC000599564819 565689509 /nfs/dbraw/zinc/68/95/09/565689509.db2.gz MVGYNTHTIDKIHN-QGZVFWFLSA-N 1 0 386.286 2.654 20 0 GFADRO O=C(NCCCc1ccc(Br)cc1F)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000669487275 565690692 /nfs/dbraw/zinc/69/06/92/565690692.db2.gz QCWSJMUXUHICAV-XJKSGUPXSA-N 1 0 384.293 2.914 20 0 GFADRO COc1cc(I)ccc1NC(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000599604515 565692368 /nfs/dbraw/zinc/69/23/68/565692368.db2.gz AXFVVYIXIMQKCN-GXSJLCMTSA-N 1 0 389.237 2.562 20 0 GFADRO COc1cc(C(=O)N[C@@H]2CC[NH2+]C3(CCC3)C2)cc(OC)c1Br ZINC000648181137 565693290 /nfs/dbraw/zinc/69/32/90/565693290.db2.gz ALDHRLKXJDUOKD-GFCCVEGCSA-N 1 0 383.286 2.871 20 0 GFADRO CC[NH+](CC)CCOCCNC(=O)[C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21 ZINC000626444970 565693653 /nfs/dbraw/zinc/69/36/53/565693653.db2.gz CRKKHVWWDYTISA-BPQIPLTHSA-N 1 0 395.341 2.809 20 0 GFADRO Cn1nc2cc(Br)ccc2c1C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000648244633 565696691 /nfs/dbraw/zinc/69/66/91/565696691.db2.gz SEEDKOKRULDJFU-UKRRQHHQSA-N 1 0 377.286 2.692 20 0 GFADRO CN1CCN(C(=O)CC[N@H+](C)Cc2cc(Br)ccc2Cl)CC1 ZINC000669935028 565708250 /nfs/dbraw/zinc/70/82/50/565708250.db2.gz MJQFDJPNUYJNNV-UHFFFAOYSA-N 1 0 388.737 2.698 20 0 GFADRO COc1ccc(NC(=O)NC[C@@]2([NH+](C)C)CCSC2)c(C(F)(F)F)n1 ZINC000669988876 565709964 /nfs/dbraw/zinc/70/99/64/565709964.db2.gz JACNOXWKDWHUTQ-AWEZNQCLSA-N 1 0 378.420 2.668 20 0 GFADRO CCCC[C@H](C[NH3+])NC(=O)C(=O)Nc1ccc(SC)c(Br)c1 ZINC000626833591 565712309 /nfs/dbraw/zinc/71/23/09/565712309.db2.gz PIASIKQNVMLVST-LLVKDONJSA-N 1 0 388.331 2.743 20 0 GFADRO Cc1cc(Cl)ccc1NC(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000626861835 565713904 /nfs/dbraw/zinc/71/39/04/565713904.db2.gz WVTNDNPOCUGRAW-PWSUYJOCSA-N 1 0 377.794 2.573 20 0 GFADRO CC(C)(C)c1nnc(CNC(=O)N2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)s1 ZINC000626999277 565718764 /nfs/dbraw/zinc/71/87/64/565718764.db2.gz FLLFNQFWAHLPQZ-VHSXEESVSA-N 1 0 379.452 2.504 20 0 GFADRO CC[C@@H](Cc1ccccc1Br)NC(=O)NC1(C[NH3+])CCOCC1 ZINC000626999184 565718790 /nfs/dbraw/zinc/71/87/90/565718790.db2.gz CVIWYVRGYHLWKC-AWEZNQCLSA-N 1 0 384.318 2.577 20 0 GFADRO CO[C@H](C)c1nc(CNC(=O)N2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cs1 ZINC000626996179 565718862 /nfs/dbraw/zinc/71/88/62/565718862.db2.gz KFVUESXHQOWUJA-SCVCMEIPSA-N 1 0 380.436 2.519 20 0 GFADRO O=C(N[C@H](Cc1ccccn1)c1ccc(Br)cc1)N[C@@H]1CC[NH2+]C1 ZINC000627019220 565719789 /nfs/dbraw/zinc/71/97/89/565719789.db2.gz UUAPEBQVUYBASM-IAGOWNOFSA-N 1 0 389.297 2.789 20 0 GFADRO CCN(CC[NH3+])C(=O)NCc1cc(Br)ccc1Br ZINC000627016824 565719846 /nfs/dbraw/zinc/71/98/46/565719846.db2.gz QNALNEMBEAYPRI-UHFFFAOYSA-N 1 0 379.096 2.702 20 0 GFADRO [NH3+]C1(CNC(=O)N[C@H]2C[C@H](c3ccc(Br)cc3)C2)CCOCC1 ZINC000627041428 565720614 /nfs/dbraw/zinc/72/06/14/565720614.db2.gz LFZLIBIEBBGYPP-CTYIDZIISA-N 1 0 382.302 2.502 20 0 GFADRO COCC[C@@H](NC(=O)NC1(C[NH3+])CCOCC1)c1ccc(Cl)c(Cl)c1 ZINC000627032169 565720673 /nfs/dbraw/zinc/72/06/73/565720673.db2.gz NKEGVMQQRKKUMM-OAHLLOKOSA-N 1 0 390.311 2.878 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)[C@@]12CCC(=O)N1c1cc(Cl)ccc1S2 ZINC000670376611 565720635 /nfs/dbraw/zinc/72/06/35/565720635.db2.gz HPVVKCDTQWZRDR-VFVRVIDISA-N 1 0 379.913 2.868 20 0 GFADRO CC[C@@H](Cc1ccccc1Br)C(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000670408324 565722160 /nfs/dbraw/zinc/72/21/60/565722160.db2.gz MCNWQJKTOHEFFG-DOTOQJQBSA-N 1 0 394.357 2.524 20 0 GFADRO O=C(N[C@H]1CC[NH2+]C12CCC2)N1CCOC[C@@H]1c1ccc(Br)cc1 ZINC000627127069 565722467 /nfs/dbraw/zinc/72/24/67/565722467.db2.gz RUBPWXUYMLZGGY-CVEARBPZSA-N 1 0 394.313 2.817 20 0 GFADRO [NH3+]CCCOCCNC(=O)N[C@H]1CCCCc2cc(Br)ccc21 ZINC000627118167 565722902 /nfs/dbraw/zinc/72/29/02/565722902.db2.gz SGBFMGLPSUYWME-INIZCTEOSA-N 1 0 384.318 2.881 20 0 GFADRO C[C@@H]1[C@H](C(=O)N2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)CC[N@@H+]1C ZINC000648733214 565724471 /nfs/dbraw/zinc/72/44/71/565724471.db2.gz HNQNSULJVWVYOS-TZMCWYRMSA-N 1 0 384.307 2.618 20 0 GFADRO C[C@@H](CC(=O)NCc1cccc(C[NH+](C)C)c1)n1cc(Br)cn1 ZINC000648724984 565724614 /nfs/dbraw/zinc/72/46/14/565724614.db2.gz VHSZGZZUCJIPRW-ZDUSSCGKSA-N 1 0 379.302 2.975 20 0 GFADRO CC[C@@H](Cc1ccccc1Br)N(C)C(=O)NCCOCC[NH2+]C ZINC000627175045 565724936 /nfs/dbraw/zinc/72/49/36/565724936.db2.gz URUXQTRFPKLNKY-HNNXBMFYSA-N 1 0 386.334 2.648 20 0 GFADRO C[C@@H]1CC[C@H](NC(=O)N2CCO[C@@H](c3ccc(Br)cc3)C2)C[NH2+]1 ZINC000627194773 565725843 /nfs/dbraw/zinc/72/58/43/565725843.db2.gz HACVHQZAHACAQF-UHOFOFEASA-N 1 0 382.302 2.673 20 0 GFADRO C[C@H](NC(=O)C(=O)N1CC[C@@H]2CC[N@H+](C)C[C@@H]21)c1ccc(Cl)cc1Cl ZINC000670530077 565727521 /nfs/dbraw/zinc/72/75/21/565727521.db2.gz ISCJBZTWPZJBBW-MKBNYLNASA-N 1 0 384.307 2.723 20 0 GFADRO O=C(CCc1nc2cc(Cl)ccc2s1)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000627257269 565728896 /nfs/dbraw/zinc/72/88/96/565728896.db2.gz DYPNVTGBLBYPLC-ZIAGYGMSSA-N 1 0 379.913 2.550 20 0 GFADRO C[NH+](C)C1(CNC(=O)c2cc3c(cncc3Br)s2)CCOCC1 ZINC000648784847 565729330 /nfs/dbraw/zinc/72/93/30/565729330.db2.gz ISALTIPVHJFOKK-UHFFFAOYSA-N 1 0 398.326 2.899 20 0 GFADRO Cc1cc(Br)cc(Cl)c1C(=O)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000627262758 565729550 /nfs/dbraw/zinc/72/95/50/565729550.db2.gz UAOVUUCYCXMWJG-STQMWFEESA-N 1 0 387.705 2.692 20 0 GFADRO C[C@@H](CC(=O)N1CC[C@H](C[NH+]2CCCCC2)C1)n1cc(Br)cn1 ZINC000648797603 565729707 /nfs/dbraw/zinc/72/97/07/565729707.db2.gz YANSUTWYNUSGOK-LSDHHAIUSA-N 1 0 383.334 2.931 20 0 GFADRO CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N[C@H](C)c2ccc(Br)cc2)C1 ZINC000670572174 565729783 /nfs/dbraw/zinc/72/97/83/565729783.db2.gz FNCVFPBRTFULBE-CZUORRHYSA-N 1 0 396.329 2.615 20 0 GFADRO COC1(C(=O)NC2CC[NH+](CCOc3ccc(Br)cc3)CC2)CC1 ZINC000648789850 565729731 /nfs/dbraw/zinc/72/97/31/565729731.db2.gz PMTFMGUZFLSYIL-UHFFFAOYSA-N 1 0 397.313 2.588 20 0 GFADRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1c2ccc(Br)cc2nn1C ZINC000648822189 565732096 /nfs/dbraw/zinc/73/20/96/565732096.db2.gz NGQUYCKQWMBAOT-MEBBXXQBSA-N 1 0 377.286 2.548 20 0 GFADRO CC(C)(C)[NH2+]CCNC(=O)C(=O)Nc1cc(Cl)c(Br)cc1F ZINC000627512970 565738285 /nfs/dbraw/zinc/73/82/85/565738285.db2.gz DXMXRCCQNQVWAD-UHFFFAOYSA-N 1 0 394.672 2.684 20 0 GFADRO C[N@H+](CCOc1ccc(Br)cc1)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000600623370 565739549 /nfs/dbraw/zinc/73/95/49/565739549.db2.gz OQLZMNUDEOLIPQ-CYBMUJFWSA-N 1 0 395.219 2.923 20 0 GFADRO O=C(NC[C@H]1CCC[N@H+]1CCCO)c1cc2c(cncc2Br)s1 ZINC000648918061 565739714 /nfs/dbraw/zinc/73/97/14/565739714.db2.gz LBVMMNIHUDMUNL-LLVKDONJSA-N 1 0 398.326 2.635 20 0 GFADRO C[C@@H]1CN(C(=O)c2ccc(OC(F)(F)F)c(Cl)c2)C[C@H](C)N1CCO ZINC000627637373 565745094 /nfs/dbraw/zinc/74/50/94/565745094.db2.gz BSQHSTPMTHPSIS-PHIMTYICSA-N 1 0 380.794 2.766 20 0 GFADRO C[C@H](Oc1ccc(Cl)cc1Br)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000627647184 565745429 /nfs/dbraw/zinc/74/54/29/565745429.db2.gz QDCCZLXCVDBQAH-APAOZMKASA-N 1 0 387.705 2.888 20 0 GFADRO O=S(=O)(Cc1ccc(OC(F)(F)F)cc1)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000600751240 565748379 /nfs/dbraw/zinc/74/83/79/565748379.db2.gz CHPMFXHGBMYJTE-LSDHHAIUSA-N 1 0 378.416 2.631 20 0 GFADRO O=S(=O)(Cc1ccc(OC(F)(F)F)cc1)NCCC[NH+]1CCCCC1 ZINC000600745006 565748400 /nfs/dbraw/zinc/74/84/00/565748400.db2.gz QFNMQGVXSCCITJ-UHFFFAOYSA-N 1 0 380.432 2.881 20 0 GFADRO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000671103705 565752105 /nfs/dbraw/zinc/75/21/05/565752105.db2.gz CJIYHDWAKPOGGH-UONOGXRCSA-N 1 0 384.307 2.695 20 0 GFADRO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]CCOc1ccc(F)c(F)c1 ZINC000671117690 565752717 /nfs/dbraw/zinc/75/27/17/565752717.db2.gz MXCYKFRLXJVMCN-NSHDSACASA-N 1 0 387.224 2.946 20 0 GFADRO CC(C)n1ncc2c1C[C@@H]([NH2+][C@H](C)Cn1cc(Br)ccc1=O)CC2 ZINC000671121508 565752799 /nfs/dbraw/zinc/75/27/99/565752799.db2.gz ZSBAAXPNADVYSU-CJNGLKHVSA-N 1 0 393.329 2.924 20 0 GFADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)NCC(C)(C)c1ccc(Cl)c(Cl)c1 ZINC000600864002 565752983 /nfs/dbraw/zinc/75/29/83/565752983.db2.gz IROZDZWLYNVLGH-CQSZACIVSA-N 1 0 387.355 2.816 20 0 GFADRO CC[N@H+](CCNC(=O)N[C@@H]1CCN(c2ccccc2Br)C1)C1CC1 ZINC000600871763 565754031 /nfs/dbraw/zinc/75/40/31/565754031.db2.gz BHFIOSMTKUBQGN-CQSZACIVSA-N 1 0 395.345 2.811 20 0 GFADRO Cc1cccc(NC(=O)C(=O)NC[C@H]2CCCC[N@@H+](C)C2)c1Br ZINC000627827321 565754624 /nfs/dbraw/zinc/75/46/24/565754624.db2.gz VZSHLPLMQISLAY-CYBMUJFWSA-N 1 0 382.302 2.544 20 0 GFADRO C[C@H](CNC(=O)C(=O)NCCc1ccc(Cl)cc1Cl)C[NH+]1CCCC1 ZINC000671170716 565755099 /nfs/dbraw/zinc/75/50/99/565755099.db2.gz JLQVIPLHZMBUPO-CYBMUJFWSA-N 1 0 386.323 2.500 20 0 GFADRO CN(Cc1ccccc1Br)C(=O)C[N@@H+]1CC[C@]2(C1)CCCOC2 ZINC000671254937 565759935 /nfs/dbraw/zinc/75/99/35/565759935.db2.gz PHSPIUPONTULRY-SFHVURJKSA-N 1 0 381.314 2.910 20 0 GFADRO CO[C@H](CC(=O)Nc1cc(Cl)ccc1N1CC[NH+](C)CC1)C(F)(F)F ZINC000649514660 565763888 /nfs/dbraw/zinc/76/38/88/565763888.db2.gz UHSOYFNMKXNZDQ-CQSZACIVSA-N 1 0 379.810 2.998 20 0 GFADRO CN1CCN(C(=O)CC[NH2+]C2(c3ccccc3Br)CCC2)CC1 ZINC000649646870 565771802 /nfs/dbraw/zinc/77/18/02/565771802.db2.gz UTNJOWUBGQPTQG-UHFFFAOYSA-N 1 0 380.330 2.582 20 0 GFADRO O=C(CCc1cc(F)ccc1Br)N1CCC([NH+]2CCOCC2)CC1 ZINC000628124128 565774414 /nfs/dbraw/zinc/77/44/14/565774414.db2.gz SUHHHGNKDOXWIL-UHFFFAOYSA-N 1 0 399.304 2.844 20 0 GFADRO O=C(CCc1ccc(Br)cc1)N1CCC([NH+]2CCOCC2)CC1 ZINC000628125114 565775219 /nfs/dbraw/zinc/77/52/19/565775219.db2.gz LMSUTLZVWYRWJH-UHFFFAOYSA-N 1 0 381.314 2.705 20 0 GFADRO C[C@H](Oc1ccc(Br)cc1)C(=O)N1CCC([NH+]2CCOCC2)CC1 ZINC000628122907 565775239 /nfs/dbraw/zinc/77/52/39/565775239.db2.gz RHVJMQOWTDASFJ-AWEZNQCLSA-N 1 0 397.313 2.540 20 0 GFADRO Cc1ncsc1CC[N@H+](Cc1cc(C)c(C)c(S(N)(=O)=O)c1)C1CC1 ZINC000649745413 565776548 /nfs/dbraw/zinc/77/65/48/565776548.db2.gz NPUUCZMFQGRQFO-UHFFFAOYSA-N 1 0 379.551 2.923 20 0 GFADRO C[C@@H](C(=O)Nc1cccc(Br)c1)[NH+]1CCC(Cn2cnnc2)CC1 ZINC000649787811 565778520 /nfs/dbraw/zinc/77/85/20/565778520.db2.gz CUFQGLIBYHTGSX-ZDUSSCGKSA-N 1 0 392.301 2.780 20 0 GFADRO COC1CC[NH+](CCNC(=O)C2(c3cc(F)cc(Br)c3)CC2)CC1 ZINC000671766062 565785363 /nfs/dbraw/zinc/78/53/63/565785363.db2.gz SKYHWIJXLFKPAZ-UHFFFAOYSA-N 1 0 399.304 2.847 20 0 GFADRO CCOc1cc(CN2C[C@@H]3C[C@@H]3C2)cc(Br)c1OCC(=O)N(C)C ZINC000628407475 565788067 /nfs/dbraw/zinc/78/80/67/565788067.db2.gz GYPQFODOTCEJPY-OKILXGFUSA-N 1 0 397.313 2.767 20 0 GFADRO COc1cc(Br)c(C[NH2+]C[C@H]2CCCN2CC(F)F)cc1O ZINC000628422050 565788182 /nfs/dbraw/zinc/78/81/82/565788182.db2.gz KLORXTZXDABPOQ-LLVKDONJSA-N 1 0 379.245 2.982 20 0 GFADRO CO[C@@H](CC(=O)NC[C@H]1CSCC[N@@H+]1Cc1ccccc1)C(F)(F)F ZINC000649961666 565789038 /nfs/dbraw/zinc/78/90/38/565789038.db2.gz SHKMCTBAMMZQCN-GJZGRUSLSA-N 1 0 376.444 2.688 20 0 GFADRO C[C@H](NC(=O)C(=O)N(C)Cc1c(Cl)cccc1Cl)C1CC[NH+](C)CC1 ZINC000672010120 565794275 /nfs/dbraw/zinc/79/42/75/565794275.db2.gz AODUVDYEYANYLP-LBPRGKRZSA-N 1 0 386.323 2.798 20 0 GFADRO O=C(C[NH2+]C1(c2ccccc2Br)CCCCC1)N1CCNC1=O ZINC000650088122 565797466 /nfs/dbraw/zinc/79/74/66/565797466.db2.gz NQDDTZZVRCORJR-UHFFFAOYSA-N 1 0 380.286 2.750 20 0 GFADRO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000672310591 565802177 /nfs/dbraw/zinc/80/21/77/565802177.db2.gz ADPHPWXTBSJAFK-AWEZNQCLSA-N 1 0 384.307 2.552 20 0 GFADRO CN(C1CC[NH+](C)CC1)S(=O)(=O)c1cc(Br)cc2cccnc21 ZINC000672370048 565804373 /nfs/dbraw/zinc/80/43/73/565804373.db2.gz GSGDEIWAWCNVKA-UHFFFAOYSA-N 1 0 398.326 2.712 20 0 GFADRO Cc1ccc(Br)c(S(=O)(=O)NCC[NH2+][C@@H]2CC[C@@H]2C2CC2)c1 ZINC000672614240 565813191 /nfs/dbraw/zinc/81/31/91/565813191.db2.gz BHPASYZANRXNAZ-UKRRQHHQSA-N 1 0 387.343 2.814 20 0 GFADRO C[C@H]1CN(C(=O)c2cnc3ncc(Br)cc3c2)CC[N@@H+](C2CC2)C1 ZINC000650401078 565818390 /nfs/dbraw/zinc/81/83/90/565818390.db2.gz HSQBOOAACSARLY-GFCCVEGCSA-N 1 0 389.297 2.949 20 0 GFADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)Nc1cccc(C(=O)NC)c1Br ZINC000672835707 565819744 /nfs/dbraw/zinc/81/97/44/565819744.db2.gz IYPIUJVJSRUQRY-LBPRGKRZSA-N 1 0 397.317 2.805 20 0 GFADRO CC[N@@H+]1C[C@@H](C)N(C(=O)c2cnc3ncc(Br)cc3c2)C[C@H]1C ZINC000672918471 565821936 /nfs/dbraw/zinc/82/19/36/565821936.db2.gz YTDGVGCWGLRWQI-VXGBXAGGSA-N 1 0 377.286 2.947 20 0 GFADRO COC(=O)C[C@@H](NC(=O)C[C@H]1CC[N@H+](C)C1)c1cccc(Br)c1 ZINC000602082196 565822525 /nfs/dbraw/zinc/82/25/25/565822525.db2.gz CHFOTZZDNJXYTM-IUODEOHRSA-N 1 0 383.286 2.511 20 0 GFADRO C[NH+](C)CCCCNC(=O)c1ccc2[nH]cc(I)c2c1 ZINC000602101594 565823353 /nfs/dbraw/zinc/82/33/53/565823353.db2.gz XMERDZDDVGHBOM-UHFFFAOYSA-N 1 0 385.249 2.844 20 0 GFADRO COC(=O)C[C@@](C)(NC(=O)C[C@H]1CC[N@H+](C)C1)c1ccc(Br)cc1 ZINC000602146727 565825755 /nfs/dbraw/zinc/82/57/55/565825755.db2.gz CJJJCICSJPVQAJ-FZKQIMNGSA-N 1 0 397.313 2.685 20 0 GFADRO COC(=O)CCN(Cc1cccc(Br)c1)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC000602150519 565826923 /nfs/dbraw/zinc/82/69/23/565826923.db2.gz YAGJPRGUCXINRU-OAHLLOKOSA-N 1 0 397.313 2.683 20 0 GFADRO NC(=O)[C@@H]([NH2+]C[C@@H]1Cc2ccccc2CO1)c1ccc(Br)cc1 ZINC000629250301 565831369 /nfs/dbraw/zinc/83/13/69/565831369.db2.gz OGDWDXGFABUFPS-IRXDYDNUSA-N 1 0 375.266 2.707 20 0 GFADRO COCCN1CCN(C(=O)c2ccc(OC)c(Br)c2)C(C)(C)C1 ZINC000650833889 565837828 /nfs/dbraw/zinc/83/78/28/565837828.db2.gz ZOFJOWDBNPUMSL-UHFFFAOYSA-N 1 0 385.302 2.641 20 0 GFADRO O=C(CCSc1ccc(Br)cc1)N[C@H](CO)C[NH+]1CCCC1 ZINC000673531830 565839145 /nfs/dbraw/zinc/83/91/45/565839145.db2.gz OLVSYHXWZJAULF-AWEZNQCLSA-N 1 0 387.343 2.504 20 0 GFADRO Cc1nc(-c2cccs2)c(CC(=O)NC[C@H]2CCC[N@@H+]2CCCO)s1 ZINC000650966892 565841167 /nfs/dbraw/zinc/84/11/67/565841167.db2.gz JYLDGMYDJGWSPU-CQSZACIVSA-N 1 0 379.551 2.686 20 0 GFADRO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)[C@H]1CCOc2ccc(Br)cc21 ZINC000651158045 565848763 /nfs/dbraw/zinc/84/87/63/565848763.db2.gz HSCBVYRTRKLPLI-DOMZBBRYSA-N 1 0 379.298 2.916 20 0 GFADRO C[NH+](C)CCn1cc(NC(=O)NCCc2cc(Br)ccc2F)cn1 ZINC000673867429 565850622 /nfs/dbraw/zinc/85/06/22/565850622.db2.gz NILBJOISYHJGIF-UHFFFAOYSA-N 1 0 398.280 2.711 20 0 GFADRO COC(=O)c1cc(C[NH2+][C@H]2CCN(c3ccc(Br)cc3)C2)on1 ZINC000602533844 565853727 /nfs/dbraw/zinc/85/37/27/565853727.db2.gz FKYOUDRFFPVTGK-LBPRGKRZSA-N 1 0 380.242 2.592 20 0 GFADRO O=C(N[C@H]1CC[NH2+]C12CCC2)c1ccc(I)cc1Cl ZINC000602535379 565854192 /nfs/dbraw/zinc/85/41/92/565854192.db2.gz YFAGDTPIDCPDPQ-LBPRGKRZSA-N 1 0 390.652 2.959 20 0 GFADRO Brc1cc2ncnc(N3CC[NH+](C4CCOCC4)CC3)c2s1 ZINC000651323547 565856311 /nfs/dbraw/zinc/85/63/11/565856311.db2.gz AJAZOAPWMJUUIA-UHFFFAOYSA-N 1 0 383.315 2.755 20 0 GFADRO C[C@H]([NH2+]Cc1ccc(I)s1)C(=O)NCc1ccco1 ZINC000602593088 565856534 /nfs/dbraw/zinc/85/65/34/565856534.db2.gz ICETYUMRUNEXNY-VIFPVBQESA-N 1 0 390.246 2.740 20 0 GFADRO COCCOC[C@H](O)C[NH2+][C@@H]1CCCSc2ccc(Br)cc21 ZINC000629594137 565861569 /nfs/dbraw/zinc/86/15/69/565861569.db2.gz KQLXECMTOIPTNS-UKRRQHHQSA-N 1 0 390.343 2.990 20 0 GFADRO COC(=O)[C@@H]1CCCCC[C@@H]1[NH2+]Cc1cnn2cc(Br)cnc12 ZINC000602678654 565862174 /nfs/dbraw/zinc/86/21/74/565862174.db2.gz MWXKRLWLXQECET-KGLIPLIRSA-N 1 0 381.274 2.703 20 0 GFADRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)[C@@H]1CCOc2ccc(Br)cc21 ZINC000651488963 565866014 /nfs/dbraw/zinc/86/60/14/565866014.db2.gz IMCTVEDTQPCOBG-XFJVYGCCSA-N 1 0 379.298 2.914 20 0 GFADRO CC[NH+]1CCN(CCC(=O)N2CCc3cc(F)cc(Br)c3C2)CC1 ZINC000629741096 565867815 /nfs/dbraw/zinc/86/78/15/565867815.db2.gz OPCGSLDQUTWBFN-UHFFFAOYSA-N 1 0 398.320 2.501 20 0 GFADRO C[NH+](C)CCOc1cccc(CNS(=O)(=O)c2ccc(Cl)c(F)c2)c1 ZINC000651522818 565868612 /nfs/dbraw/zinc/86/86/12/565868612.db2.gz VYGIOGRVAMVANM-UHFFFAOYSA-N 1 0 386.876 2.898 20 0 GFADRO CC[C@@H](C[NH+]1CCCC1)NS(=O)(=O)c1ccc(F)cc1Br ZINC000674345211 565869605 /nfs/dbraw/zinc/86/96/05/565869605.db2.gz MMZSIMFJAOIREM-LBPRGKRZSA-N 1 0 379.295 2.741 20 0 GFADRO CCOCCC[N@@H+]1CC[C@@H](NS(=O)(=O)Cc2ccc(Cl)cc2)[C@@H](C)C1 ZINC000651562348 565872944 /nfs/dbraw/zinc/87/29/44/565872944.db2.gz MGCXDZWKFYXOIC-MAUKXSAKSA-N 1 0 388.961 2.896 20 0 GFADRO CCN1C(=O)[C@H]2C[N@H+](CC/C=C\c3ccc(Br)cc3)CCN2C1=O ZINC000674469285 565875033 /nfs/dbraw/zinc/87/50/33/565875033.db2.gz YTQUJKYZPUATSV-OICCZTGUSA-N 1 0 392.297 2.821 20 0 GFADRO Cc1ccc(-c2nc(NC(=O)C(=O)NCC[NH+]3CCCC3)sc2C)s1 ZINC000651573812 565875244 /nfs/dbraw/zinc/87/52/44/565875244.db2.gz IZIYQJHNDYZHLD-UHFFFAOYSA-N 1 0 378.523 2.639 20 0 GFADRO Cc1cc(CC(C)(C)C(=O)NCC[N@@H+]2CC[C@H](O)C2)ccc1Br ZINC000629917184 565875556 /nfs/dbraw/zinc/87/55/56/565875556.db2.gz OOSHSWXQSVFPJO-HNNXBMFYSA-N 1 0 383.330 2.509 20 0 GFADRO CC(=O)N1CCC([NH2+][C@@H](C)C(=O)Nc2ccc(Br)c(C)c2)CC1 ZINC000629942901 565876465 /nfs/dbraw/zinc/87/64/65/565876465.db2.gz VBYFDZPYALSNNR-LBPRGKRZSA-N 1 0 382.302 2.685 20 0 GFADRO Cc1cc(Br)sc1S(=O)(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000651603970 565878655 /nfs/dbraw/zinc/87/86/55/565878655.db2.gz MDWJQLDSSAJKHY-NEPJUHHUSA-N 1 0 393.372 2.924 20 0 GFADRO C[N@H+](C[C@H](O)CC1(O)CCOCC1)CC1(c2ccc(Br)cc2)CC1 ZINC000630043541 565880691 /nfs/dbraw/zinc/88/06/91/565880691.db2.gz XRTAFSNWKNYGMD-QGZVFWFLSA-N 1 0 398.341 2.705 20 0 GFADRO CC[NH+](CC)Cc1ccc(C(=O)Nc2cc(Br)c(=O)n(C)c2)o1 ZINC000674826860 565885152 /nfs/dbraw/zinc/88/51/52/565885152.db2.gz CJRXFSBYQUWIRO-UHFFFAOYSA-N 1 0 382.258 2.835 20 0 GFADRO C[C@H](NC(=O)Cn1cc(CSCC[NH3+])nn1)c1ccc(Cl)cc1Cl ZINC000603179273 565888712 /nfs/dbraw/zinc/88/87/12/565888712.db2.gz RDSNVDMRWHOXRF-JTQLQIEISA-N 1 0 388.324 2.654 20 0 GFADRO COc1ccc(Br)c(S(=O)(=O)NCCC[N@H+](C)CC(C)C)c1 ZINC000651768750 565892740 /nfs/dbraw/zinc/89/27/40/565892740.db2.gz APMMECVYEWXPRV-UHFFFAOYSA-N 1 0 393.347 2.714 20 0 GFADRO CC[NH2+]Cc1cn(Cc2ccc(I)cc2Cl)nn1 ZINC000603247554 565892850 /nfs/dbraw/zinc/89/28/50/565892850.db2.gz MNUKKTRWCSWTEA-UHFFFAOYSA-N 1 0 376.629 2.694 20 0 GFADRO C[NH+](C)C[C@@H]1CN(C(=O)c2ncsc2Br)c2ccccc2O1 ZINC000675220419 565894816 /nfs/dbraw/zinc/89/48/16/565894816.db2.gz KARRDPCGNMDYGR-SNVBAGLBSA-N 1 0 382.283 2.875 20 0 GFADRO CC(C)C[N@H+](C)CCCNC(=O)C(=O)Nc1c(F)cccc1Br ZINC000651901455 565902990 /nfs/dbraw/zinc/90/29/90/565902990.db2.gz MDTIBTODXXFEMO-UHFFFAOYSA-N 1 0 388.281 2.621 20 0 GFADRO O=C(CCCc1cccc(Br)c1)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000675457300 565903475 /nfs/dbraw/zinc/90/34/75/565903475.db2.gz IYLWFSBDNOKJQA-QZTJIDSGSA-N 1 0 395.341 2.829 20 0 GFADRO COCC[N@@H+]1CCC[C@@H](NC(=O)CCCc2cccc(Br)c2)C1 ZINC000675454057 565903868 /nfs/dbraw/zinc/90/38/68/565903868.db2.gz DOFNDDKISMNMNW-QGZVFWFLSA-N 1 0 383.330 2.999 20 0 GFADRO CC[NH+]1CCN([C@H](C)CNC(=O)CCCc2cccc(Br)c2)CC1 ZINC000675462580 565903982 /nfs/dbraw/zinc/90/39/82/565903982.db2.gz FIJBUZPMRZTGSD-MRXNPFEDSA-N 1 0 396.373 2.914 20 0 GFADRO COc1cc(C[NH2+]CC[C@@]2(O)CCOC2)cc(Br)c1OC(F)F ZINC000651942554 565906573 /nfs/dbraw/zinc/90/65/73/565906573.db2.gz KYODNRWRHJPJIR-OAHLLOKOSA-N 1 0 396.228 2.690 20 0 GFADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)NCCOc1ncc(Cl)cc1Cl ZINC000675577668 565909460 /nfs/dbraw/zinc/90/94/60/565909460.db2.gz PUIFPKHZMVPMQO-ZDUSSCGKSA-N 1 0 375.300 2.941 20 0 GFADRO O=C1C[C@@H](C[NH2+]CC2=Cc3cc(Br)ccc3OC2)CN1C1CC1 ZINC000651992805 565909529 /nfs/dbraw/zinc/90/95/29/565909529.db2.gz QXEYOQFOUYOORR-LBPRGKRZSA-N 1 0 377.282 2.825 20 0 GFADRO CCN1C[C@@H](C[NH2+]Cc2ncc(Br)cc2Br)CC1=O ZINC000651998984 565909841 /nfs/dbraw/zinc/90/98/41/565909841.db2.gz CLJGZSIAKVFKSY-SECBINFHSA-N 1 0 391.107 2.565 20 0 GFADRO CCN1C[C@@H](C[NH2+][C@H](C)CC(=O)Nc2cccc(Br)c2)CC1=O ZINC000652016438 565911948 /nfs/dbraw/zinc/91/19/48/565911948.db2.gz ZVKBGQMQGUUXNT-CHWSQXEVSA-N 1 0 382.302 2.624 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+]CC[C@@]1(O)CCCOC1 ZINC000652041045 565913248 /nfs/dbraw/zinc/91/32/48/565913248.db2.gz RNOFXTYEKYRVGA-SFHVURJKSA-N 1 0 394.313 2.964 20 0 GFADRO CCOc1c(Br)cc(C[NH2+]CC[C@@]2(O)CCCOC2)cc1OC ZINC000652039921 565913397 /nfs/dbraw/zinc/91/33/97/565913397.db2.gz RWPKUHUOIIUIMW-KRWDZBQOSA-N 1 0 388.302 2.878 20 0 GFADRO C[N@@H+]1CCCN(CCCNC(=O)C2(c3ccc(Br)cc3)CC2)CC1 ZINC000603812009 565915529 /nfs/dbraw/zinc/91/55/29/565915529.db2.gz CMHQEIMAFWGVIO-UHFFFAOYSA-N 1 0 394.357 2.625 20 0 GFADRO C[N@@H+]1CCCN(CCCNC(=O)[C@H]2C[C@@H]2c2cccc(Br)c2)CC1 ZINC000603812545 565916112 /nfs/dbraw/zinc/91/61/12/565916112.db2.gz VEWDPBBDMMOEAX-MSOLQXFVSA-N 1 0 394.357 2.696 20 0 GFADRO CC[NH+]1CCN(CCCNC(=O)c2oc3ccccc3c2Br)CC1 ZINC000630733846 565918540 /nfs/dbraw/zinc/91/85/40/565918540.db2.gz INDFMLXRLMLLGX-UHFFFAOYSA-N 1 0 394.313 2.953 20 0 GFADRO Clc1cccc2c1SCC[C@@H]2[NH2+][C@H]1CCN(CCN2CCOCC2)C1 ZINC000675886947 565919652 /nfs/dbraw/zinc/91/96/52/565919652.db2.gz PYLJYENOPBYASQ-YJBOKZPZSA-N 1 0 381.973 2.873 20 0 GFADRO O=C(CCn1cc(Br)cn1)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000604011161 565922027 /nfs/dbraw/zinc/92/20/27/565922027.db2.gz AQXZPEHCEFRTHF-KRWDZBQOSA-N 1 0 391.313 2.817 20 0 GFADRO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCN(S(=O)(=O)c3csc4ccccc43)C2)C1 ZINC000652373856 565923936 /nfs/dbraw/zinc/92/39/36/565923936.db2.gz BWMXVVCIHQIYJA-IIAWOOMASA-N 1 0 380.535 2.808 20 0 GFADRO CN(CCOc1ccc(Br)cc1)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000604204939 565925702 /nfs/dbraw/zinc/92/57/02/565925702.db2.gz HHFKCZIYFBKQTB-CQSZACIVSA-N 1 0 382.302 2.706 20 0 GFADRO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCN(S(=O)(=O)c3ccc(C(F)(F)F)s3)C2)C1 ZINC000652374222 565925728 /nfs/dbraw/zinc/92/57/28/565925728.db2.gz MCOLSJNGWBAUOS-IJLUTSLNSA-N 1 0 398.472 2.674 20 0 GFADRO [NH3+]Cc1ccc(CNS(=O)(=O)Cc2cccc(C(F)(F)F)c2)c(F)c1 ZINC000652381505 565926442 /nfs/dbraw/zinc/92/64/42/565926442.db2.gz PJZZAIUDKBMMND-UHFFFAOYSA-N 1 0 376.375 2.923 20 0 GFADRO Cc1cc(Br)c(S(=O)(=O)N2CCC[C@@H](C)[C@@H]2CC[NH3+])s1 ZINC000652377902 565926722 /nfs/dbraw/zinc/92/67/22/565926722.db2.gz SATJCLOYDCRPLW-SKDRFNHKSA-N 1 0 381.361 2.957 20 0 GFADRO COc1ccc(Br)cc1CN1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000604389074 565928112 /nfs/dbraw/zinc/92/81/12/565928112.db2.gz PQHRZWZTEKXUFX-QGZVFWFLSA-N 1 0 382.346 2.670 20 0 GFADRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)COc3ccc(Cl)c(Cl)c3)CC2)C1 ZINC000604352724 565928457 /nfs/dbraw/zinc/92/84/57/565928457.db2.gz PUMFJLYWFWGURB-CQSZACIVSA-N 1 0 386.323 2.611 20 0 GFADRO Cc1ccc(Br)cc1S(=O)(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000604408001 565928987 /nfs/dbraw/zinc/92/89/87/565928987.db2.gz UPQXPVDVSZWJCX-CYBMUJFWSA-N 1 0 375.332 2.720 20 0 GFADRO NS(=O)(=O)c1cc(C[NH2+]C[C@H](c2cccs2)N2CCCC2)ccc1Cl ZINC000631030657 565933231 /nfs/dbraw/zinc/93/32/31/565933231.db2.gz UUUNAFJWOLOWSQ-OAHLLOKOSA-N 1 0 399.969 2.976 20 0 GFADRO CCOc1ccc(Br)cc1NC(=O)N1C[C@@H](C[NH3+])[C@H](OCC)C1 ZINC000652576398 565933914 /nfs/dbraw/zinc/93/39/14/565933914.db2.gz KXKSUGYZIDBFEG-IAQYHMDHSA-N 1 0 386.290 2.675 20 0 GFADRO O=C(Cc1cc(Br)ccc1F)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000676370984 565934379 /nfs/dbraw/zinc/93/43/79/565934379.db2.gz VUWGWDRVRZBSGJ-INIZCTEOSA-N 1 0 399.304 2.844 20 0 GFADRO NS(=O)(=O)c1cc(C[NH2+]CCc2ccc(OC(F)F)cc2)ccc1Cl ZINC000631035465 565934563 /nfs/dbraw/zinc/93/45/63/565934563.db2.gz PHCFHZURQRCEBO-UHFFFAOYSA-N 1 0 390.839 2.921 20 0 GFADRO Cc1scc(C[NH2+]Cc2ccc(S(=O)(=O)N3CCOCC3)s2)c1C ZINC000631039170 565935456 /nfs/dbraw/zinc/93/54/56/565935456.db2.gz DQYICTXAOPAFJO-UHFFFAOYSA-N 1 0 386.564 2.737 20 0 GFADRO C[NH+](C)CC[C@@H](NC(=O)c1ccc(Cl)c(NS(C)(=O)=O)c1)C(C)(C)C ZINC000604752150 565936818 /nfs/dbraw/zinc/93/68/18/565936818.db2.gz QRWKGYCPIMTOQJ-OAHLLOKOSA-N 1 0 389.949 2.808 20 0 GFADRO CC(C)(CNC(=O)C(=O)NCCC1(C[NH3+])CC1)c1ccc(Cl)c(Cl)c1 ZINC000652681873 565936932 /nfs/dbraw/zinc/93/69/32/565936932.db2.gz WONYGSNISMVNLZ-UHFFFAOYSA-N 1 0 386.323 2.632 20 0 GFADRO COCC[N@H+](C)CCCNC(=O)N1CCc2sc(Br)cc2C1 ZINC000676420902 565937689 /nfs/dbraw/zinc/93/76/89/565937689.db2.gz TYQGZAPJVMMNLH-UHFFFAOYSA-N 1 0 390.347 2.547 20 0 GFADRO COc1cccc(O[C@H](C)C[NH2+]Cc2ccc(Cl)c(S(N)(=O)=O)c2)c1 ZINC000631080587 565938695 /nfs/dbraw/zinc/93/86/95/565938695.db2.gz ZYJGACOREDSRBC-GFCCVEGCSA-N 1 0 384.885 2.553 20 0 GFADRO Cn1nc2c(c1C[NH2+]C[C@@H](O)COc1ccccc1Br)CCCC2 ZINC000631092421 565940483 /nfs/dbraw/zinc/94/04/83/565940483.db2.gz YWBQDDPMPAVQAE-CYBMUJFWSA-N 1 0 394.313 2.591 20 0 GFADRO CCS(=O)(=O)N1CCC(C[NH2+]Cc2cc(OC)c(OC)cc2Cl)CC1 ZINC000631111627 565941377 /nfs/dbraw/zinc/94/13/77/565941377.db2.gz QFQFNXYEGWGCAM-UHFFFAOYSA-N 1 0 390.933 2.509 20 0 GFADRO CC[C@H](Cc1cccc(Br)c1)C(=O)N[C@H]1CC[N@H+](CCOC)C1 ZINC000604976872 565942173 /nfs/dbraw/zinc/94/21/73/565942173.db2.gz HNASIFPYGLLLAN-WBVHZDCISA-N 1 0 383.330 2.855 20 0 GFADRO C[N@@H+]1CCN(CCNCc2ncc(Br)cc2Cl)CC1(C)C ZINC000631125827 565942312 /nfs/dbraw/zinc/94/23/12/565942312.db2.gz HFDMIPHIZWIROM-UHFFFAOYSA-N 1 0 375.742 2.613 20 0 GFADRO O=S(=O)(NCC[NH2+]Cc1ccc(C(F)F)nc1)c1ccc(Cl)cc1F ZINC000631125663 565942703 /nfs/dbraw/zinc/94/27/03/565942703.db2.gz FFTZATRUCBJWST-UHFFFAOYSA-N 1 0 393.818 2.880 20 0 GFADRO COCCc1ncc(C[NH2+]C2CCN(C(=O)c3cc(Cl)c[nH]3)CC2)s1 ZINC000631135675 565944061 /nfs/dbraw/zinc/94/40/61/565944061.db2.gz OJUUALFCYMXGLM-UHFFFAOYSA-N 1 0 382.917 2.708 20 0 GFADRO CSc1ncc(Cl)c(C(=O)N2CCN(C)C[C@@H]2Cc2ccccc2)n1 ZINC000652883104 565944631 /nfs/dbraw/zinc/94/46/31/565944631.db2.gz GTXKNBXAISWZNL-AWEZNQCLSA-N 1 0 376.913 2.851 20 0 GFADRO CN1CCN(C(=O)c2c[nH]c(=O)c(Br)c2)[C@@H](Cc2ccccc2)C1 ZINC000652883896 565944754 /nfs/dbraw/zinc/94/47/54/565944754.db2.gz XYKFVLHIUQMIBY-HNNXBMFYSA-N 1 0 390.281 2.549 20 0 GFADRO COc1cc(CNCc2nnc(C3CCOCC3)[nH]2)c(F)cc1Br ZINC000631211993 565948407 /nfs/dbraw/zinc/94/84/07/565948407.db2.gz AIHGZOCZQLDJFL-UHFFFAOYSA-N 1 0 399.264 2.899 20 0 GFADRO Cc1nc(-c2ccc(C(=O)NC[C@H](C)C[NH+]3CCN(C)CC3)s2)cs1 ZINC000631275779 565952442 /nfs/dbraw/zinc/95/24/42/565952442.db2.gz JESGGRQNSFIOFF-ZDUSSCGKSA-N 1 0 378.567 2.793 20 0 GFADRO O=C(Nc1cc(Br)cc(C(F)(F)F)c1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653065458 565953454 /nfs/dbraw/zinc/95/34/54/565953454.db2.gz FYHZOWYCZJHEFC-ZANVPECISA-N 1 0 379.176 2.642 20 0 GFADRO C[N@H+](CCCCNc1cccc(OC(F)(F)F)c1S(N)(=O)=O)C1CC1 ZINC000631304134 565953537 /nfs/dbraw/zinc/95/35/37/565953537.db2.gz GKZDHINHHVFJHY-UHFFFAOYSA-N 1 0 381.420 2.519 20 0 GFADRO COc1cc(CNC(=O)[C@@H]2CC[C@H](C3CC3)[NH2+]2)cc(Br)c1OC ZINC000653083334 565954318 /nfs/dbraw/zinc/95/43/18/565954318.db2.gz VXBOMITZTGNNSF-KGLIPLIRSA-N 1 0 383.286 2.613 20 0 GFADRO C[NH+](C)CC[C@@H](N)C(=O)NCCCCSc1ccccc1Br ZINC000653088690 565954485 /nfs/dbraw/zinc/95/44/85/565954485.db2.gz HPJQGFQASMFIEA-CQSZACIVSA-N 1 0 388.375 2.717 20 0 GFADRO O=C(Nc1cc(Br)ccc1N1CCOCC1)[C@H]1CCC[NH2+]CC1 ZINC000653105614 565955107 /nfs/dbraw/zinc/95/51/07/565955107.db2.gz CDTNMSYJVBAFTQ-ZDUSSCGKSA-N 1 0 382.302 2.614 20 0 GFADRO CCn1cc(Br)cc1C(=O)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000653189446 565958552 /nfs/dbraw/zinc/95/85/52/565958552.db2.gz XUEZEFXQYISONA-NOLJZWGESA-N 1 0 384.318 2.629 20 0 GFADRO C[C@@H]1C[C@@H](N(C)C(=O)c2ccc3cncc(Br)c3n2)CC[N@@H+]1C ZINC000631469867 565958570 /nfs/dbraw/zinc/95/85/70/565958570.db2.gz UGFDOLPJNWTZAT-YPMHNXCESA-N 1 0 377.286 2.947 20 0 GFADRO [NH3+]CC1(CCNC(=O)[C@H](c2ccc(Cl)cc2Cl)N2CCOCC2)CC1 ZINC000653221478 565959528 /nfs/dbraw/zinc/95/95/28/565959528.db2.gz YUFBXAAQFJEJNH-INIZCTEOSA-N 1 0 386.323 2.612 20 0 GFADRO COCC[C@@H](Cc1cccc(Br)c1)C(=O)NCCC1(C[NH3+])CC1 ZINC000653219744 565959577 /nfs/dbraw/zinc/95/95/77/565959577.db2.gz PFOUFSFDQKEQTP-HNNXBMFYSA-N 1 0 383.330 2.890 20 0 GFADRO COc1ccc(Br)c(C(=O)N2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)c1 ZINC000653267634 565960508 /nfs/dbraw/zinc/96/05/08/565960508.db2.gz UAIASENHZFXMGV-CSMYWGQOSA-N 1 0 397.313 2.959 20 0 GFADRO CC[NH+](CC)C[C@@H]1CCN(C(=O)c2cc(Br)c3nccn3c2)C1 ZINC000631550736 565962978 /nfs/dbraw/zinc/96/29/78/565962978.db2.gz RNJLNNDOORNOJB-ZDUSSCGKSA-N 1 0 379.302 2.901 20 0 GFADRO CC[N@@H+]1CCN(C(=O)[C@@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)C[C@H]1C ZINC000677184982 565964426 /nfs/dbraw/zinc/96/44/26/565964426.db2.gz VXUPLOPXOHVGHU-OCCSQVGLSA-N 1 0 384.307 2.899 20 0 GFADRO C[NH+](C)CC[C@@H](N)C(=O)Nc1nc(-c2ccccc2)c(Br)s1 ZINC000653346840 565964892 /nfs/dbraw/zinc/96/48/92/565964892.db2.gz JBDSYBOSEFBRFC-LLVKDONJSA-N 1 0 383.315 2.790 20 0 GFADRO COc1cc([C@@H](C)[NH2+][C@@H](C(C)C)[C@H](O)C(F)(F)F)ccc1S(C)(=O)=O ZINC000631715036 565969961 /nfs/dbraw/zinc/96/99/61/565969961.db2.gz MRNAIJBFQXJQHK-ONERCXAPSA-N 1 0 383.432 2.697 20 0 GFADRO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNS(=O)(=O)c2c[nH]c(=O)s2)cc1 ZINC000631751232 565970980 /nfs/dbraw/zinc/97/09/80/565970980.db2.gz WFNGLJIJKSKUEL-ZDUSSCGKSA-N 1 0 381.523 2.702 20 0 GFADRO COCC[N@H+](C)C[C@H](O)CN1CCC[C@H]1c1cc(F)cc(Br)c1 ZINC000653618747 565973754 /nfs/dbraw/zinc/97/37/54/565973754.db2.gz WLCMYHRLEYPPGQ-IRXDYDNUSA-N 1 0 389.309 2.664 20 0 GFADRO CC(C)CN(C1CC[NH+](C)CC1)S(=O)(=O)c1onc(C2CC2)c1Cl ZINC000631785018 565974557 /nfs/dbraw/zinc/97/45/57/565974557.db2.gz AIWLIKUUWRCRRH-UHFFFAOYSA-N 1 0 375.922 2.946 20 0 GFADRO O=S(=O)(N[C@@H]1CCN(C2CC2)C1)c1ccc(C(F)(F)C(F)(F)F)cc1 ZINC000631798635 565975860 /nfs/dbraw/zinc/97/58/60/565975860.db2.gz WQUDYBFEMITXOH-LLVKDONJSA-N 1 0 384.370 2.856 20 0 GFADRO C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@@H]1CCCC(=O)N1 ZINC000677522835 565976865 /nfs/dbraw/zinc/97/68/65/565976865.db2.gz LIMFRMFAWIOTAQ-INIZCTEOSA-N 1 0 386.323 2.942 20 0 GFADRO CN(Cc1cc(Br)cs1)C(=O)CN1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631888511 565981211 /nfs/dbraw/zinc/98/12/11/565981211.db2.gz WQONKALUZKYLLK-WFASDCNBSA-N 1 0 386.359 2.543 20 0 GFADRO O=S(=O)(c1cscc1Br)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000631923254 565983371 /nfs/dbraw/zinc/98/33/71/565983371.db2.gz QSNHALXPABEZPI-LLVKDONJSA-N 1 0 379.345 2.760 20 0 GFADRO O=C(NCCN1C[C@H]2CC[C@@H](C1)O2)c1cc2c(cccc2Br)[nH]1 ZINC000653866991 565986353 /nfs/dbraw/zinc/98/63/53/565986353.db2.gz XTFZVTXMZFAIFR-TXEJJXNPSA-N 1 0 378.270 2.523 20 0 GFADRO C[N@H+](CC(=O)N1CCc2sc(Br)cc2C1)[C@H]1CCSC1 ZINC000677921741 565988330 /nfs/dbraw/zinc/98/83/30/565988330.db2.gz CZGXFAYRNDKOJW-NSHDSACASA-N 1 0 375.357 2.833 20 0 GFADRO O=S(=O)(c1cc(Br)sc1Cl)N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631994526 565989787 /nfs/dbraw/zinc/98/97/87/565989787.db2.gz NNXHDMOEMKVCNY-RKDXNWHRSA-N 1 0 399.763 2.927 20 0 GFADRO COc1cc(Br)cc(NC(=O)NCC(C)(C)N2CC[NH+](C)CC2)c1 ZINC000678014967 565993187 /nfs/dbraw/zinc/99/31/87/565993187.db2.gz JKVQUWQYLUVBJG-UHFFFAOYSA-N 1 0 399.333 2.605 20 0 GFADRO C[NH+](C)CCCCC(=O)NC[C@@H](CO)Cc1cc(Br)ccc1F ZINC000654075632 565996050 /nfs/dbraw/zinc/99/60/50/565996050.db2.gz QEOOFUIUEOTPGV-ZDUSSCGKSA-N 1 0 389.309 2.587 20 0 GFADRO C[C@@H](C[NH2+]CCCN1CCCS1(=O)=O)c1cccc(Br)c1 ZINC000678074830 565997463 /nfs/dbraw/zinc/99/74/63/565997463.db2.gz SMBJSJLHRURMFT-ZDUSSCGKSA-N 1 0 375.332 2.568 20 0 GFADRO Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000654314855 566004578 /nfs/dbraw/zinc/00/45/78/566004578.db2.gz LPRFTUUCYVXAHR-NWDGAFQWSA-N 1 0 378.826 2.997 20 0 GFADRO C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)CCn2cc(Br)cn2)C1 ZINC000608168497 566007068 /nfs/dbraw/zinc/00/70/68/566007068.db2.gz JIWMGDUYDIBTNT-KRWDZBQOSA-N 1 0 391.313 2.769 20 0 GFADRO CC[NH+](CC)[C@@H]1CCN(C(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CC2)C1 ZINC000608226097 566008400 /nfs/dbraw/zinc/00/84/00/566008400.db2.gz OBMDSVVJNJNTJB-OAHLLOKOSA-N 1 0 384.929 2.589 20 0 GFADRO CSc1cc(Br)ccc1C(=O)NCCCN1CC[NH+](C)CC1 ZINC000654403885 566008920 /nfs/dbraw/zinc/00/89/20/566008920.db2.gz KOQJOUWPIIRTKO-UHFFFAOYSA-N 1 0 386.359 2.538 20 0 GFADRO CC[N@@H+]1C[C@H](C)N(C(=O)c2ccc3cncc(Br)c3n2)C[C@H]1C ZINC000632216355 566010325 /nfs/dbraw/zinc/01/03/25/566010325.db2.gz GEHDQLREMYFDEG-NEPJUHHUSA-N 1 0 377.286 2.947 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)N2CCOc3cccc(Br)c3C2)CC[N@@H+]1C ZINC000654462535 566010828 /nfs/dbraw/zinc/01/08/28/566010828.db2.gz ZXIHBEALMHRFIE-CHWSQXEVSA-N 1 0 382.302 2.836 20 0 GFADRO O=C(NCC[NH2+]Cc1nc2c(s1)CCC2)c1cccc(Br)c1 ZINC000678496707 566011822 /nfs/dbraw/zinc/01/18/22/566011822.db2.gz GJMIBSGKLHTACR-UHFFFAOYSA-N 1 0 380.311 2.914 20 0 GFADRO CN(CCC[NH2+][C@H](c1ccc(Br)cc1)C1CC1)S(C)(=O)=O ZINC000678685907 566017369 /nfs/dbraw/zinc/01/73/69/566017369.db2.gz WMVWQBRYTPGOGO-HNNXBMFYSA-N 1 0 375.332 2.771 20 0 GFADRO CSc1cc(Br)ccc1C(=O)NCCC[NH+]1CCC(O)CC1 ZINC000654811149 566024067 /nfs/dbraw/zinc/02/40/67/566024067.db2.gz RCQQVWUNBUGOQS-UHFFFAOYSA-N 1 0 387.343 2.748 20 0 GFADRO CC1(C)[C@H]([NH2+]CCS(=O)(=O)c2ccc(Br)cc2)[C@H]2CCO[C@H]21 ZINC000678928843 566025925 /nfs/dbraw/zinc/02/59/25/566025925.db2.gz XXAQVKINEPQWIF-RBSFLKMASA-N 1 0 388.327 2.626 20 0 GFADRO CN(Cc1cc(Br)cs1)C(=O)C[NH2+]C1(CO)CCCCC1 ZINC000678974874 566026477 /nfs/dbraw/zinc/02/64/77/566026477.db2.gz ZGFYZMYZRYXLEW-UHFFFAOYSA-N 1 0 375.332 2.754 20 0 GFADRO CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cc(OC)cc(C(F)(F)F)c1 ZINC000632408307 566029346 /nfs/dbraw/zinc/02/93/46/566029346.db2.gz ARNQSRRBDQDGRR-UHFFFAOYSA-N 1 0 380.432 2.819 20 0 GFADRO C[C@H]([NH2+]C[C@@H]1CCC[C@]12NC(=O)N(C)C2=O)c1sccc1Br ZINC000679066086 566029562 /nfs/dbraw/zinc/02/95/62/566029562.db2.gz PEECGXREENRTPN-YHAQOWFVSA-N 1 0 386.315 2.882 20 0 GFADRO COCC[C@@H](NS(=O)(=O)CCC[NH+](C)C)c1cccc(C(F)(F)F)c1 ZINC000632415302 566030714 /nfs/dbraw/zinc/03/07/14/566030714.db2.gz YOTHLSBEUIWOOQ-OAHLLOKOSA-N 1 0 382.448 2.654 20 0 GFADRO Cc1cc(Br)c(C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)s1 ZINC000654975461 566034193 /nfs/dbraw/zinc/03/41/93/566034193.db2.gz DIXCPGTUBSUCLV-CYBMUJFWSA-N 1 0 386.359 2.671 20 0 GFADRO C[N@@H+]1CC[C@H](C(=O)N2CCC[C@H]2c2ccccc2I)C1 ZINC000609610210 566046853 /nfs/dbraw/zinc/04/68/53/566046853.db2.gz TWVPYVNOSCUHIW-WFASDCNBSA-N 1 0 384.261 2.906 20 0 GFADRO O=C(CNC(=O)c1ccc(Cl)c(Cl)c1)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000655348268 566054284 /nfs/dbraw/zinc/05/42/84/566054284.db2.gz RHAGLWJTICOAJM-JKSUJKDBSA-N 1 0 384.307 2.856 20 0 GFADRO CCO[C@@H]1C[C@@]([NH3+])(C(=O)N2CCOc3cccc(Br)c3C2)C1(C)C ZINC000655502982 566061626 /nfs/dbraw/zinc/06/16/26/566061626.db2.gz ACADHVDVKOETTD-CRAIPNDOSA-N 1 0 397.313 2.703 20 0 GFADRO Cc1cc(C(=O)N[C@H](C[NH3+])C(F)(F)F)c2cc(Br)ccc2n1 ZINC000655515078 566062070 /nfs/dbraw/zinc/06/20/70/566062070.db2.gz WTPMOOYKNNDRJW-GFCCVEGCSA-N 1 0 376.176 2.925 20 0 GFADRO Cc1csc(-c2ccc(S(=O)(=O)N3CC[C@H]4CC[N@@H+](C)C[C@H]43)cc2)n1 ZINC000655552994 566067716 /nfs/dbraw/zinc/06/77/16/566067716.db2.gz YKLMYUOSEBSVAA-RHSMWYFYSA-N 1 0 377.535 2.833 20 0 GFADRO O=C(c1cn(-c2ccc(Br)cc2)cn1)N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000632872740 566072196 /nfs/dbraw/zinc/07/21/96/566072196.db2.gz AWEGRKXYIWGMSM-CXAGYDPISA-N 1 0 389.297 2.849 20 0 GFADRO O=C(Nc1ccc(Br)c(Cl)c1)N1CCC([NH2+]CCO)CC1 ZINC000632924537 566074007 /nfs/dbraw/zinc/07/40/07/566074007.db2.gz ZGNWCOYDOJYLIO-UHFFFAOYSA-N 1 0 376.682 2.681 20 0 GFADRO C[NH+](C)[C@H]1C[C@@H](CNS(=O)(=O)c2ccc(Cl)cc2Br)C1 ZINC000655632298 566074456 /nfs/dbraw/zinc/07/44/56/566074456.db2.gz JJGPWNQQPSWYKZ-JGZJWPJOSA-N 1 0 381.723 2.721 20 0 GFADRO C[C@@H]1CN(C(=O)Nc2ccnn2Cc2cccc(Br)c2)C[C@H]1C[NH3+] ZINC000632936561 566075066 /nfs/dbraw/zinc/07/50/66/566075066.db2.gz LUMXPSHFSKZAKN-TZMCWYRMSA-N 1 0 392.301 2.752 20 0 GFADRO COc1cc(OC)c(S(=O)(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1Cl ZINC000655668911 566080397 /nfs/dbraw/zinc/08/03/97/566080397.db2.gz VJBDWEMWXNQNSA-KGLIPLIRSA-N 1 0 388.917 2.652 20 0 GFADRO Cc1nn(-c2ccccc2Cl)cc1C[NH2+]CCS(=O)(=O)NC(C)(C)C ZINC000655719331 566084568 /nfs/dbraw/zinc/08/45/68/566084568.db2.gz REDSOCSZQKQWPP-UHFFFAOYSA-N 1 0 384.933 2.642 20 0 GFADRO Cc1nn(-c2ccccc2Br)cc1C[NH2+]C1(CO)CCOCC1 ZINC000655736495 566085445 /nfs/dbraw/zinc/08/54/45/566085445.db2.gz QHVYCWQZSYPQNT-UHFFFAOYSA-N 1 0 380.286 2.574 20 0 GFADRO Brc1cccc(N2CC[C@H]([NH2+]C3CCN([C@@H]4CCOC4)CC3)C2)c1 ZINC000655761779 566087040 /nfs/dbraw/zinc/08/70/40/566087040.db2.gz PGXBESATWRXCOH-PKOBYXMFSA-N 1 0 394.357 2.871 20 0 GFADRO Brc1cc2c(c(C[NH2+]C3CCN([C@H]4CCOC4)CC3)c1)OCC2 ZINC000655755175 566087197 /nfs/dbraw/zinc/08/71/97/566087197.db2.gz RMUMJSRDSMMCIM-KRWDZBQOSA-N 1 0 381.314 2.727 20 0 GFADRO Cc1nn(-c2cccc(Br)c2)cc1C[NH2+]CC1(CO)CCOCC1 ZINC000655751714 566087261 /nfs/dbraw/zinc/08/72/61/566087261.db2.gz DBOKOCZTZLEGOQ-UHFFFAOYSA-N 1 0 394.313 2.822 20 0 GFADRO CCOC1CC(O)(C[NH2+]Cc2cn(-c3cccc(Br)c3)nc2C)C1 ZINC000655766925 566087306 /nfs/dbraw/zinc/08/73/06/566087306.db2.gz NEBGBNCOAYNSDL-UHFFFAOYSA-N 1 0 394.313 2.963 20 0 GFADRO Cc1ccc(-c2ncc(C[NH2+]C[C@@H]3CCN(S(C)(=O)=O)C3)s2)cc1C ZINC000655752399 566087392 /nfs/dbraw/zinc/08/73/92/566087392.db2.gz MFLYFVYOEYFODP-HNNXBMFYSA-N 1 0 379.551 2.798 20 0 GFADRO C[N@@H+]1CCC[C@@H](N2CCN(Cc3cc(Br)cc4c3OCC4)CC2)C1 ZINC000680933647 566087494 /nfs/dbraw/zinc/08/74/94/566087494.db2.gz BQYWCOCPTKOWBQ-GOSISDBHSA-N 1 0 394.357 2.596 20 0 GFADRO Cc1nn(-c2cccc(Br)c2)cc1C[NH2+]C[C@@H]1CCCNC1=O ZINC000655780500 566088943 /nfs/dbraw/zinc/08/89/43/566088943.db2.gz PWGRPXGVSLQCTM-ZDUSSCGKSA-N 1 0 377.286 2.559 20 0 GFADRO COc1ccc(Br)cc1C[C@@H](CO)C[NH2+][C@@H]1CCCn2ccnc21 ZINC000655773693 566088997 /nfs/dbraw/zinc/08/89/97/566088997.db2.gz CSSDIHBVKYAXQN-CZUORRHYSA-N 1 0 394.313 2.930 20 0 GFADRO Cc1nn(-c2ccccc2Br)cc1C[NH2+]C[C@@H](CO)[C@@H]1CCOC1 ZINC000655768351 566089169 /nfs/dbraw/zinc/08/91/69/566089169.db2.gz WLMWYMCYTJJQPR-ZBFHGGJFSA-N 1 0 394.313 2.678 20 0 GFADRO [NH3+]C[C@@H](NC(=O)N1CCc2cc(Br)cc(F)c2C1)C(F)(F)F ZINC000655919540 566095339 /nfs/dbraw/zinc/09/53/39/566095339.db2.gz CAGPBHCWNNQVCU-LLVKDONJSA-N 1 0 384.171 2.546 20 0 GFADRO [NH3+]C[C@H](NC(=O)N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1)C(F)(F)F ZINC000655928605 566096796 /nfs/dbraw/zinc/09/67/96/566096796.db2.gz MSKKOFUUWXUSON-CABZTGNLSA-N 1 0 385.217 2.761 20 0 GFADRO [NH3+]C[C@H](NC(=O)N1CCN(c2cc(Cl)ccc2Cl)CC1)C(F)(F)F ZINC000655931630 566096930 /nfs/dbraw/zinc/09/69/30/566096930.db2.gz MMOBGHMHVRMYLN-LBPRGKRZSA-N 1 0 385.217 2.715 20 0 GFADRO Cc1c(Br)cccc1CS(=O)(=O)N1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000655949624 566097805 /nfs/dbraw/zinc/09/78/05/566097805.db2.gz ZRZXNNLUEJSCNG-SWLSCSKDSA-N 1 0 375.332 2.789 20 0 GFADRO Cc1c(Br)cccc1CS(=O)(=O)N[C@H]1CC[NH2+]CC1(C)C ZINC000655950568 566098944 /nfs/dbraw/zinc/09/89/44/566098944.db2.gz IBUZAMDFJWYTCX-AWEZNQCLSA-N 1 0 375.332 2.565 20 0 GFADRO CC[C@@H](NC[C@H](O)C[NH+]1CCCC1)c1ccc(I)cc1 ZINC000610803919 566099771 /nfs/dbraw/zinc/09/97/71/566099771.db2.gz DWFXZQNDJVLDSP-JKSUJKDBSA-N 1 0 388.293 2.789 20 0 GFADRO CC[C@H]([NH2+]C[C@H]1CCS(=O)(=O)C1)c1ccc(I)cc1 ZINC000610798344 566100611 /nfs/dbraw/zinc/10/06/11/566100611.db2.gz RFGCENNKZNGTST-RISCZKNCSA-N 1 0 393.290 2.767 20 0 GFADRO C[C@]1(CNC(=O)C(=O)NCCCc2c(Cl)cccc2Cl)CCC[NH2+]C1 ZINC000656024844 566101012 /nfs/dbraw/zinc/10/10/12/566101012.db2.gz SKWQUDIAMPHYJP-SFHVURJKSA-N 1 0 386.323 2.548 20 0 GFADRO C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000656063772 566103626 /nfs/dbraw/zinc/10/36/26/566103626.db2.gz GIGPYIFYKWYLSO-SGMGOOAPSA-N 1 0 386.323 2.969 20 0 GFADRO Brc1csc2cnc(N3CC[NH+](C[C@H]4CCCO4)CC3)nc12 ZINC000656106065 566104242 /nfs/dbraw/zinc/10/42/42/566104242.db2.gz KSBTURVAVFQIJY-LLVKDONJSA-N 1 0 383.315 2.755 20 0 GFADRO O=S1(=O)CC[C@@H]([NH2+][C@@H]2CCN(CC3CC3)C2)c2cc(Br)ccc21 ZINC000681389591 566104685 /nfs/dbraw/zinc/10/46/85/566104685.db2.gz QIILBYRWUFWPIX-GDBMZVCRSA-N 1 0 399.354 2.742 20 0 GFADRO O=C(Cc1ccccc1Br)N1CCc2[nH]cnc2C12CCOCC2 ZINC000633526412 566108580 /nfs/dbraw/zinc/10/85/80/566108580.db2.gz PYFZJKOGYLIOED-UHFFFAOYSA-N 1 0 390.281 2.805 20 0 GFADRO CS[C@@H]1CN(C(=O)c2ccc(Cl)c(N3CCCC3=O)c2)C[C@@H]1[NH+](C)C ZINC000611217294 566122323 /nfs/dbraw/zinc/12/23/23/566122323.db2.gz NXJRYBQDXYDEIM-JKSUJKDBSA-N 1 0 381.929 2.584 20 0 GFADRO Cc1cc(CNC(=O)Nc2cnn(CC[NH+](C)C)c2)ccc1Br ZINC000656503279 566129181 /nfs/dbraw/zinc/12/91/81/566129181.db2.gz QOCLQAQRVKGLIF-UHFFFAOYSA-N 1 0 380.290 2.837 20 0 GFADRO CC(C)[NH+]1CCC(NC(=O)c2cnc3ncc(Br)cc3c2)CC1 ZINC000681950009 566134230 /nfs/dbraw/zinc/13/42/30/566134230.db2.gz TUQJXJURHOEQCW-UHFFFAOYSA-N 1 0 377.286 2.995 20 0 GFADRO O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1cnc2ncc(Br)cc2c1 ZINC000681961229 566134943 /nfs/dbraw/zinc/13/49/43/566134943.db2.gz JTHKOTXDJOPNGZ-GJZGRUSLSA-N 1 0 375.270 2.749 20 0 GFADRO C[C@@H](NC(=O)CN1CC[N@H+](CCO)C(C)(C)C1)c1ccc(Cl)cc1Cl ZINC000682033950 566140104 /nfs/dbraw/zinc/14/01/04/566140104.db2.gz BBAISHWBLMDDBL-CYBMUJFWSA-N 1 0 388.339 2.559 20 0 GFADRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)c2cncc(Br)c2C)C1 ZINC000611806436 566142516 /nfs/dbraw/zinc/14/25/16/566142516.db2.gz IYHJRXYSLGIWCA-AWEZNQCLSA-N 1 0 384.318 2.725 20 0 GFADRO Cc1c(F)c(Br)ccc1C(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000611978293 566147783 /nfs/dbraw/zinc/14/77/83/566147783.db2.gz NMQZRTZNCLUHGO-UHFFFAOYSA-N 1 0 386.309 2.652 20 0 GFADRO CC[N@H+](C[C@H](O)COc1cc(F)cc(Br)c1)C[C@@H]1CCOC1 ZINC000682218891 566148266 /nfs/dbraw/zinc/14/82/66/566148266.db2.gz POESKLXAGOLNDF-WFASDCNBSA-N 1 0 376.266 2.686 20 0 GFADRO CN(CCCC[NH+](C)C)C(=O)C(=O)Nc1ccc(Cl)c(OC(F)F)c1 ZINC000682279423 566149591 /nfs/dbraw/zinc/14/95/91/566149591.db2.gz RSXMGFZSDXTQPK-UHFFFAOYSA-N 1 0 377.819 2.680 20 0 GFADRO CC(C)(C)OC(=O)CNC(=O)C[NH2+]C(C)(C)c1ccc(Br)cc1 ZINC000612093716 566151752 /nfs/dbraw/zinc/15/17/52/566151752.db2.gz GEYDDBNLQYQJOD-UHFFFAOYSA-N 1 0 385.302 2.732 20 0 GFADRO C[C@@H](C(=O)N(C)Cc1cccc(Br)c1OC[C@H]1CCCO1)[NH+](C)C ZINC000682392896 566152574 /nfs/dbraw/zinc/15/25/74/566152574.db2.gz AVJKFYLWICFWAL-DZGCQCFKSA-N 1 0 399.329 2.915 20 0 GFADRO O=C(Cc1ccc(Br)c(Cl)c1)NCCCC[NH+]1CCOCC1 ZINC000682460338 566155002 /nfs/dbraw/zinc/15/50/02/566155002.db2.gz QINTVEZGJIHRRP-UHFFFAOYSA-N 1 0 389.721 2.874 20 0 GFADRO O[C@@H](C[NH2+]Cc1cnc(C(F)(F)F)nc1)COCc1ccc(Cl)cc1 ZINC000656705323 566155758 /nfs/dbraw/zinc/15/57/58/566155758.db2.gz OTBKDAFVPSUVAD-AWEZNQCLSA-N 1 0 375.778 2.816 20 0 GFADRO CS(=O)(=O)CC1(CC[NH2+]C[C@@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000656703815 566155804 /nfs/dbraw/zinc/15/58/04/566155804.db2.gz DJUVFZPRKGWSIR-CYBMUJFWSA-N 1 0 396.336 2.538 20 0 GFADRO Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)c3cc(Br)c[nH]c3=O)C2)cc1 ZINC000634459487 566155775 /nfs/dbraw/zinc/15/57/75/566155775.db2.gz WMSOTDVOQOWVAR-HNNXBMFYSA-N 1 0 390.281 2.862 20 0 GFADRO O=C(C1CC1)N1CCC([NH2+]C[C@@H](O)COc2cc(Cl)cc(Cl)c2)CC1 ZINC000634641341 566162045 /nfs/dbraw/zinc/16/20/45/566162045.db2.gz QYMNUQHSXSZLJI-MRXNPFEDSA-N 1 0 387.307 2.724 20 0 GFADRO CC(C)[N@@H+](Cc1cccc(Br)c1)C[C@@H](O)CC1(O)CCOCC1 ZINC000634644045 566162920 /nfs/dbraw/zinc/16/29/20/566162920.db2.gz NJBCFBUWCQQDQQ-KRWDZBQOSA-N 1 0 386.330 2.952 20 0 GFADRO C[C@@H](C(=O)N(C)Cc1cccc(Br)c1OCC(C)(C)O)[NH+](C)C ZINC000682552893 566163040 /nfs/dbraw/zinc/16/30/40/566163040.db2.gz PQIJGLKRACGRJE-LBPRGKRZSA-N 1 0 387.318 2.507 20 0 GFADRO O=c1c2csc(Cl)c2ncn1C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634649366 566163189 /nfs/dbraw/zinc/16/31/89/566163189.db2.gz LWEBQLDYHOHQPS-GOSISDBHSA-N 1 0 375.881 2.748 20 0 GFADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3cc(Br)cc4c3OCCO4)CC[C@@H]21 ZINC000612516577 566164835 /nfs/dbraw/zinc/16/48/35/566164835.db2.gz DGAPVBKWLVODPJ-DOMZBBRYSA-N 1 0 395.297 2.777 20 0 GFADRO CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2NCc2c(Br)cnn2C)cc1 ZINC000656789833 566164904 /nfs/dbraw/zinc/16/49/04/566164904.db2.gz AIFMHZWLVASZTA-RDJZCZTQSA-N 1 0 393.329 2.817 20 0 GFADRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3cc(Br)cc4[nH]c(=O)[nH]c43)CC[C@@H]21 ZINC000612519414 566166291 /nfs/dbraw/zinc/16/62/91/566166291.db2.gz JMPAUBUIPKFDNZ-HZMBPMFUSA-N 1 0 393.285 2.587 20 0 GFADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3cc(Br)cc4[nH]c(=O)[nH]c43)CC[C@H]21 ZINC000612519416 566166408 /nfs/dbraw/zinc/16/64/08/566166408.db2.gz JMPAUBUIPKFDNZ-QMTHXVAHSA-N 1 0 393.285 2.587 20 0 GFADRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1c(Cl)cccc1Br ZINC000612659386 566169957 /nfs/dbraw/zinc/16/99/57/566169957.db2.gz OHKYCXKNGOTASP-LLVKDONJSA-N 1 0 375.694 2.679 20 0 GFADRO CCCOc1ccc(Br)cc1S(=O)(=O)NC1CC[NH+](C)CC1 ZINC000656863547 566170483 /nfs/dbraw/zinc/17/04/83/566170483.db2.gz IEOZWHMLFIEXAJ-UHFFFAOYSA-N 1 0 391.331 2.610 20 0 GFADRO O[C@H](C[NH2+]CC1(c2ccc(Br)cc2)CCC1)CC1(O)CCOCC1 ZINC000634701551 566171192 /nfs/dbraw/zinc/17/11/92/566171192.db2.gz RJDRZLJLEAIUQW-KRWDZBQOSA-N 1 0 398.341 2.753 20 0 GFADRO CC1CC[NH+](CCNS(=O)(=O)Cc2cc(F)ccc2Br)CC1 ZINC000656875770 566172900 /nfs/dbraw/zinc/17/29/00/566172900.db2.gz IMHGGTQXBTVMAN-UHFFFAOYSA-N 1 0 393.322 2.740 20 0 GFADRO CN(Cc1ccc(Cl)s1)C(=O)C(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000612782554 566174683 /nfs/dbraw/zinc/17/46/83/566174683.db2.gz RYCSARZOLHZYET-UHFFFAOYSA-N 1 0 383.945 2.598 20 0 GFADRO C[C@@]1(NC(=O)NCC2(c3cccc(Br)c3)CCOCC2)CC[NH2+]C1 ZINC000612872385 566177873 /nfs/dbraw/zinc/17/78/73/566177873.db2.gz IMRFAJRWWUNCNU-QGZVFWFLSA-N 1 0 396.329 2.549 20 0 GFADRO O=S(=O)(Cc1cc(F)ccc1Cl)NCC1([NH+]2CCCC2)CCOCC1 ZINC000656900147 566179070 /nfs/dbraw/zinc/17/90/70/566179070.db2.gz UDILPZICWASGOF-UHFFFAOYSA-N 1 0 390.908 2.544 20 0 GFADRO CN(C(=O)N[C@@H]1CC12CC[NH2+]CC2)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000612983559 566181504 /nfs/dbraw/zinc/18/15/04/566181504.db2.gz BHXFMJOVVOIQLW-BZUAXINKSA-N 1 0 384.307 2.735 20 0 GFADRO COc1cc(Br)ccc1[C@H](C)NC(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000612982936 566181712 /nfs/dbraw/zinc/18/17/12/566181712.db2.gz KQTJWMZIATXNNO-NHYWBVRUSA-N 1 0 382.302 2.960 20 0 GFADRO CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000612978967 566181756 /nfs/dbraw/zinc/18/17/56/566181756.db2.gz CTDXUMLWUWXKBF-MAZHCROVSA-N 1 0 396.329 2.966 20 0 GFADRO C[C@H]1C[C@H](NS(=O)(=O)c2cc(Cl)cc(Br)c2)CC[N@@H+]1C ZINC000656918068 566183604 /nfs/dbraw/zinc/18/36/04/566183604.db2.gz KLKQMFGYCIKAMG-JOYOIKCWSA-N 1 0 381.723 2.864 20 0 GFADRO CC[N@H+](C)C[C@H]1CCN(S(=O)(=O)Cc2cc(F)ccc2Br)C1 ZINC000656923840 566184713 /nfs/dbraw/zinc/18/47/13/566184713.db2.gz ZTKDMNNSZWOWFA-GFCCVEGCSA-N 1 0 393.322 2.692 20 0 GFADRO C[C@@H]1C[C@@H](NS(=O)(=O)Cc2cc(F)ccc2Br)C[N@@H+]1C1CC1 ZINC000656930372 566185197 /nfs/dbraw/zinc/18/51/97/566185197.db2.gz LCYMHZNJTHNBNP-ZWNOBZJWSA-N 1 0 391.306 2.633 20 0 GFADRO C[C@H]1C[C@@H](NS(=O)(=O)Cc2cc(F)ccc2Br)C[N@@H+]1C1CC1 ZINC000656930369 566185719 /nfs/dbraw/zinc/18/57/19/566185719.db2.gz LCYMHZNJTHNBNP-GXFFZTMASA-N 1 0 391.306 2.633 20 0 GFADRO C[NH+]1CCC2(CCCN2C(=O)c2cc(Br)cc3[nH]c(=O)[nH]c32)CC1 ZINC000613191837 566188107 /nfs/dbraw/zinc/18/81/07/566188107.db2.gz TYVODKDFVWTJCA-UHFFFAOYSA-N 1 0 393.285 2.731 20 0 GFADRO O=C1N[C@H](Cc2cc(Cl)cc(Cl)c2)C(=O)N1[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000683288222 566192670 /nfs/dbraw/zinc/19/26/70/566192670.db2.gz VUMPXVWVHQDKHP-HZPDHXFCSA-N 1 0 382.291 2.941 20 0 GFADRO O[C@H](COc1ccc(Br)cc1)C[N@@H+]1CCC[C@H](c2ccncn2)C1 ZINC000613380530 566196655 /nfs/dbraw/zinc/19/66/55/566196655.db2.gz ASDKSZCRODAFBW-HOCLYGCPSA-N 1 0 392.297 2.858 20 0 GFADRO Cc1nnc(CCC(=O)N(CC[NH+](C)C)Cc2ccc(Br)cc2)o1 ZINC000635443151 566213735 /nfs/dbraw/zinc/21/37/35/566213735.db2.gz FZFWAMHEVHFEHW-UHFFFAOYSA-N 1 0 395.301 2.664 20 0 GFADRO C[C@@H](NC(=O)Nc1cnn(CC[NH+](C)C)c1)c1nc(C(F)(F)F)cs1 ZINC000683789566 566214670 /nfs/dbraw/zinc/21/46/70/566214670.db2.gz WSDHJNLAPCNMCX-SECBINFHSA-N 1 0 376.408 2.803 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@@H](NS(=O)(=O)c2cc(Br)ccc2F)C1 ZINC000657063180 566216043 /nfs/dbraw/zinc/21/60/43/566216043.db2.gz VIEWVJNNMLYFCY-LLVKDONJSA-N 1 0 379.295 2.739 20 0 GFADRO O=C(COC[C@H]1CCOC1)Nc1ncccc1C[NH+]1CCc2ccccc2CC1 ZINC000362176537 570350193 /nfs/dbraw/zinc/35/01/93/570350193.db2.gz GMQMCZWIMMYBNB-SFHVURJKSA-N 1 0 395.503 2.674 20 0 GFADRO CC(C)c1nn(C)c(N2CCOCC2)c1C[NH2+]C[C@H]1CCO[C@@H]1C(C)(C)C ZINC000189235003 570749850 /nfs/dbraw/zinc/74/98/50/570749850.db2.gz PLXOWBQTJHQJEC-APWZRJJASA-N 1 0 378.561 2.921 20 0 GFADRO C[N@H+](Cc1ccc(F)cc1-c1nn[nH]n1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000736820395 598831402 /nfs/dbraw/zinc/83/14/02/598831402.db2.gz XAGIWEYNVHXJFK-UHFFFAOYSA-N 1 0 394.454 2.742 20 0 GFADRO C[N@H+](Cc1cc(-c2nn[nH]n2)ccc1F)C1CCN(C(=O)c2ccccc2)CC1 ZINC000736814957 598831874 /nfs/dbraw/zinc/83/18/74/598831874.db2.gz NHRHHZIIYDZPGZ-UHFFFAOYSA-N 1 0 394.454 2.742 20 0 GFADRO Cc1ccc(C[C@@H]2CCC[N@@H+]2CC(=O)Nc2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000737335146 598834002 /nfs/dbraw/zinc/83/40/02/598834002.db2.gz QLQNHMPVJLQZIF-IBGZPJMESA-N 1 0 376.464 2.821 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(CCOc2cccc(-c3nn[nH]n3)c2)C1 ZINC000736269859 598870970 /nfs/dbraw/zinc/87/09/70/598870970.db2.gz YITZWCYYIRQVAS-MSOLQXFVSA-N 1 0 384.528 2.832 20 0 GFADRO CC(C)(CCCc1ccccc1)C[NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000735664681 598876245 /nfs/dbraw/zinc/87/62/45/598876245.db2.gz NSECYUYYPKIMPL-QGZVFWFLSA-N 1 0 394.527 2.744 20 0 GFADRO C[C@H](CC[NH+](C)C)NC(=O)NCc1cccc(-c2ccc(-c3nn[nH]n3)s2)c1 ZINC000735986960 598905598 /nfs/dbraw/zinc/90/55/98/598905598.db2.gz UVAHBPJGCXYWAI-CYBMUJFWSA-N 1 0 399.524 2.735 20 0 GFADRO CC[C@H]([NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1ccc(Cl)s1 ZINC000736368847 598920078 /nfs/dbraw/zinc/92/00/78/598920078.db2.gz FQBSBUZEANYTHK-ONGXEEELSA-N 1 0 378.893 2.561 20 0 GFADRO Cc1ccc([C@H](CNc2c3ccccc3nnc2-c2nn[nH]n2)[NH+]2CCCC2)o1 ZINC000737321232 598965958 /nfs/dbraw/zinc/96/59/58/598965958.db2.gz ZSIRCRLGXAYMFW-INIZCTEOSA-N 1 0 390.451 2.960 20 0 GFADRO Fc1ccc(Cl)c2c1ncc(-c1nn[nH]n1)c2N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000822775529 599047845 /nfs/dbraw/zinc/04/78/45/599047845.db2.gz XRJBIFVAKZFAIM-LLVKDONJSA-N 1 0 385.834 2.658 20 0 GFADRO C[N@H+](CCc1cccc2ccccc21)[C@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000736804752 599073309 /nfs/dbraw/zinc/07/33/09/599073309.db2.gz UDRIFMSUQMMSSF-FQEVSTJZSA-N 1 0 386.459 2.721 20 0 GFADRO C[NH+](C)CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000736768191 599075464 /nfs/dbraw/zinc/07/54/64/599075464.db2.gz XLGCFNMUKMCETN-WOJBJXKFSA-N 1 0 396.539 2.973 20 0 GFADRO Cc1oc(NC(=O)C[N@H+]2C[C@H](c3ccccc3)C[C@@H]2C)c(-c2nn[nH]n2)c1C ZINC000737553611 599081442 /nfs/dbraw/zinc/08/14/42/599081442.db2.gz XWEZTCVCBMKALL-BLLLJJGKSA-N 1 0 380.452 2.893 20 0 GFADRO NC(=O)[C@H]([NH2+]CCC12CC3CC(CC(C3)C1)C2)c1ccc(-c2nn[nH]n2)cc1 ZINC000737731597 599087365 /nfs/dbraw/zinc/08/73/65/599087365.db2.gz UGGZEQXIEAZHFN-YXSDIZSPSA-N 1 0 380.496 2.589 20 0 GFADRO C[C@H]([NH2+][C@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1)C12CC3CC(CC(C3)C1)C2 ZINC000736126407 599099445 /nfs/dbraw/zinc/09/94/45/599099445.db2.gz NECWHEJAASOZTB-IDDPFRTRSA-N 1 0 380.496 2.588 20 0 GFADRO C[C@H](c1ccc(-c2nn[nH]n2)cc1)[N@H+](C)C[C@H]1CN(c2ccccc2)C(=O)O1 ZINC000736194584 599129747 /nfs/dbraw/zinc/12/97/47/599129747.db2.gz BIBURXCIQNZPTE-KDOFPFPSSA-N 1 0 378.436 2.885 20 0 GFADRO C[C@H](c1ccc(-c2nn[nH]n2)cc1)[N@H+](C)C[C@@H]1CN(c2ccccc2)C(=O)O1 ZINC000736194586 599130460 /nfs/dbraw/zinc/13/04/60/599130460.db2.gz BIBURXCIQNZPTE-RDTXWAMCSA-N 1 0 378.436 2.885 20 0 GFADRO C[NH+](C)[C@@H](CNc1ccc(Br)cc1-c1nn[nH]n1)c1ccco1 ZINC000736760061 599362022 /nfs/dbraw/zinc/36/20/22/599362022.db2.gz OXIDDOAVSKAXCJ-ZDUSSCGKSA-N 1 0 377.246 2.937 20 0 GFADRO Cc1c(NC(=O)N[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)cccc1-c1nn[nH]n1 ZINC000822088967 607288060 /nfs/dbraw/zinc/28/80/60/607288060.db2.gz BRQBHHJHFYKHDT-WMLDXEAASA-N 1 0 391.479 2.960 20 0 GFADRO C[NH+](C)[C@@H](CNc1c(-c2nn[nH]n2)cnc2ccc(Cl)cc21)c1ccco1 ZINC000736757525 599254699 /nfs/dbraw/zinc/25/46/99/599254699.db2.gz BQGRRNLDBUCLRL-HNNXBMFYSA-N 1 0 383.843 2.798 20 0 GFADRO Cc1cc(F)cc2c1ncc(-c1nn[nH]n1)c2N1CC[NH+](C2CCCC2)CC1 ZINC000737263046 599267231 /nfs/dbraw/zinc/26/72/31/599267231.db2.gz JNPJAOQECBGMKK-UHFFFAOYSA-N 1 0 381.459 2.927 20 0 GFADRO CCc1ccc([C@H]2CCC[N@@H+]2C[C@@H](O)COc2ccc(-c3nn[nH]n3)cc2)o1 ZINC000736689403 599271795 /nfs/dbraw/zinc/27/17/95/599271795.db2.gz WOIFPOFGBYQRAZ-CRAIPNDOSA-N 1 0 383.452 2.599 20 0 GFADRO CC(C)c1cnc(CN(C)[C@H]2CC[N@H+](Cc3ccccc3-c3nn[nH]n3)C2)o1 ZINC000735932464 599291840 /nfs/dbraw/zinc/29/18/40/599291840.db2.gz LXWFPVJDZRVZHK-INIZCTEOSA-N 1 0 381.484 2.684 20 0 GFADRO Cc1cccc(N2CC[NH+](CCCNc3ccc(-c4nn[nH]n4)cc3F)CC2)c1 ZINC000737398221 598237118 /nfs/dbraw/zinc/23/71/18/598237118.db2.gz FHUKTSIGKLMZKL-UHFFFAOYSA-N 1 0 395.486 2.938 20 0 GFADRO CNC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000736870762 598246174 /nfs/dbraw/zinc/24/61/74/598246174.db2.gz KIWOXKVBFYVNGD-LJQANCHMSA-N 1 0 376.464 2.634 20 0 GFADRO CN(C[C@@H]1CC[N@H+](Cc2cc(-c3nn[nH]n3)ccc2F)C1)C(=O)OC(C)(C)C ZINC000736793762 598247272 /nfs/dbraw/zinc/24/72/72/598247272.db2.gz YZBSYTZAVCWGBM-ZDUSSCGKSA-N 1 0 390.463 2.695 20 0 GFADRO C[C@H](C(=O)Nc1ccccc1-c1nn[nH]n1)[N@@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC000735562170 598251783 /nfs/dbraw/zinc/25/17/83/598251783.db2.gz NZTGVJXJPCCHKX-HIFRSBDPSA-N 1 0 380.427 2.822 20 0 GFADRO C[N@@H+]1CCC[C@H]1CNC(=O)Nc1cccc(Oc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000736858773 598267327 /nfs/dbraw/zinc/26/73/27/598267327.db2.gz BHEIRCKHYFSKNI-INIZCTEOSA-N 1 0 393.451 2.875 20 0 GFADRO CC(C)(C)n1cc(-c2nn[nH]n2)cc1NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000736211607 598276479 /nfs/dbraw/zinc/27/64/79/598276479.db2.gz PVHWYRLKUCYUKF-UHFFFAOYSA-N 1 0 388.520 2.854 20 0 GFADRO Cc1ccc([C@H](CNC(=O)Nc2ccc(-c3nn[nH]n3)cc2)[NH+]2CCCC2)o1 ZINC000737321687 598282671 /nfs/dbraw/zinc/28/26/71/598282671.db2.gz VCMXJEANSRDGGA-INIZCTEOSA-N 1 0 381.440 2.727 20 0 GFADRO CC[NH+](CC)CCN(CC(C)C)C(=O)NCc1ccc(-c2nn[nH]n2)cc1F ZINC000736531088 598328650 /nfs/dbraw/zinc/32/86/50/598328650.db2.gz QDPYKWHRNWBDMO-UHFFFAOYSA-N 1 0 391.495 2.515 20 0 GFADRO C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNc3nccnc3-c3nn[nH]n3)cc2)C1 ZINC000736229025 598343663 /nfs/dbraw/zinc/34/36/63/598343663.db2.gz PSZJFUITGMHZOJ-GJZGRUSLSA-N 1 0 378.484 2.747 20 0 GFADRO CC[N@H+](CCNC(=O)c1ccccc1-c1ccccc1-c1nn[nH]n1)C(C)C ZINC000736537854 598359719 /nfs/dbraw/zinc/35/97/19/598359719.db2.gz XDLJSBLUWNTMBK-UHFFFAOYSA-N 1 0 378.480 2.994 20 0 GFADRO Clc1ccccc1C[NH+]1CCC(CNc2nccnc2-c2nn[nH]n2)CC1 ZINC000737583930 598389748 /nfs/dbraw/zinc/38/97/48/598389748.db2.gz OFNDQNWSDISAKK-UHFFFAOYSA-N 1 0 384.875 2.634 20 0 GFADRO Cc1nc(C)c([C@@H](C)[N@H+](C)CCC(=O)Nc2ccccc2-c2nn[nH]n2)s1 ZINC000737471428 598407397 /nfs/dbraw/zinc/40/73/97/598407397.db2.gz QKYABAOUMMEHTJ-GFCCVEGCSA-N 1 0 385.497 2.962 20 0 GFADRO COc1ccc(C)cc1[C@@H](C)[NH2+][C@@H](C)C(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000737076493 598431755 /nfs/dbraw/zinc/43/17/55/598431755.db2.gz RJDBWLPZBYGLSG-KGLIPLIRSA-N 1 0 380.452 2.862 20 0 GFADRO C[NH+](C)CCCOc1ccc(NC(=O)NCc2cccc(-c3nn[nH]n3)c2)cc1 ZINC000736766871 598433069 /nfs/dbraw/zinc/43/30/69/598433069.db2.gz GZKOTOMQLQSQNA-UHFFFAOYSA-N 1 0 395.467 2.519 20 0 GFADRO c1ccc(-c2nn[nH]n2)c(OCC[N@@H+]2CCC[C@@H]2c2cccc3c2OCCO3)c1 ZINC000738427580 598463632 /nfs/dbraw/zinc/46/36/32/598463632.db2.gz XOJPSHBBWHULBH-QGZVFWFLSA-N 1 0 393.447 2.854 20 0 GFADRO Fc1ccc(C2([NH2+]CCOc3ccccc3-c3nn[nH]n3)CCOCC2)cc1 ZINC000737647831 598486981 /nfs/dbraw/zinc/48/69/81/598486981.db2.gz FDYBSNQPKXERCI-UHFFFAOYSA-N 1 0 383.427 2.680 20 0 GFADRO CCCC[C@@H]([NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1ccc(OC)cc1 ZINC000736437120 598528947 /nfs/dbraw/zinc/52/89/47/598528947.db2.gz HBUQUGYAICSICJ-RDTXWAMCSA-N 1 0 396.499 2.635 20 0 GFADRO c1ccc(-c2nn[nH]n2)c(COc2cccc(C[NH2+]CCOCC3CC3)c2)c1 ZINC000738410374 598562488 /nfs/dbraw/zinc/56/24/88/598562488.db2.gz LKBFXEUVPIFBCC-UHFFFAOYSA-N 1 0 379.464 2.962 20 0 GFADRO C[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000736818536 598580534 /nfs/dbraw/zinc/58/05/34/598580534.db2.gz SAPSYHNGQHVQNT-MRXNPFEDSA-N 1 0 386.500 2.946 20 0 GFADRO O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)c1cccc(-c2nn[nH]n2)c1 ZINC000738103855 598605172 /nfs/dbraw/zinc/60/51/72/598605172.db2.gz OWQLJEPHHXWKRX-UHFFFAOYSA-N 1 0 376.464 2.783 20 0 GFADRO Clc1ccc(-c2nn[nH]n2)c(NCC2([NH+]3CCOCC3)CCCCC2)c1 ZINC000737571177 598630871 /nfs/dbraw/zinc/63/08/71/598630871.db2.gz VKXWKTBCXNAKTA-UHFFFAOYSA-N 1 0 376.892 2.967 20 0 GFADRO C[C@@H](CNC(=O)C=Cc1ccccc1-c1nn[nH]n1)[N@H+](C)Cc1ccccc1 ZINC000736008119 598665989 /nfs/dbraw/zinc/66/59/89/598665989.db2.gz GSCCPGQBPBHASQ-AHKFDXCISA-N 1 0 376.464 2.517 20 0 GFADRO C[C@H]1CCC[C@](CNC(=O)CSc2ccc(-c3nn[nH]n3)cc2)([NH+](C)C)C1 ZINC000736247532 598666379 /nfs/dbraw/zinc/66/63/79/598666379.db2.gz FMTQLWGUCINODA-LIRRHRJNSA-N 1 0 388.541 2.586 20 0 GFADRO C[NH+](C)[C@H]1CCCN(c2c(-c3nn[nH]n3)cnc3c(F)ccc(Cl)c32)C1 ZINC000736756506 598670977 /nfs/dbraw/zinc/67/09/77/598670977.db2.gz KCQAYHSDOSPQDI-JTQLQIEISA-N 1 0 375.839 2.738 20 0 GFADRO O=C(Nc1ccc(F)cc1)N[C@@H]1CC[N@H+](Cc2ccc(F)cc2-c2nn[nH]n2)C1 ZINC000738166810 598684708 /nfs/dbraw/zinc/68/47/08/598684708.db2.gz WSSVPIMHDGNYAR-MRXNPFEDSA-N 1 0 399.405 2.541 20 0 GFADRO CC[N@H+](CCNC(=O)c1cccc(Oc2ccc(-c3nn[nH]n3)cc2)c1)C1CC1 ZINC000736536202 598699954 /nfs/dbraw/zinc/69/99/54/598699954.db2.gz FFQWANBSQVLSBF-UHFFFAOYSA-N 1 0 392.463 2.873 20 0 GFADRO Fc1cccc(F)c1CN1CCC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000737662585 598712878 /nfs/dbraw/zinc/71/28/78/598712878.db2.gz WIWUYSCRDINVBJ-INIZCTEOSA-N 1 0 384.434 2.899 20 0 GFADRO C[C@@H](CNC(=O)N(C)Cc1cccc(-c2nn[nH]n2)c1)[N@H+](C)Cc1ccccc1 ZINC000736016897 598716471 /nfs/dbraw/zinc/71/64/71/598716471.db2.gz FNQDPQLQXJPUHV-INIZCTEOSA-N 1 0 393.495 2.529 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CNc1cc(C)c(-c2nn[nH]n2)c2nc3ccccc3n21 ZINC000736569012 598717499 /nfs/dbraw/zinc/71/74/99/598717499.db2.gz FRDFXNVQWCUYRI-AWEZNQCLSA-N 1 0 376.468 2.872 20 0 GFADRO c1ccc(-c2nn[nH]n2)c(OCCN2CCC[C@@H](C[NH+]3CCCCCC3)C2)c1 ZINC000738426735 598717953 /nfs/dbraw/zinc/71/79/53/598717953.db2.gz UGWAUGGERQYHJU-SFHVURJKSA-N 1 0 384.528 2.834 20 0 GFADRO CC[N@@H+]1CCC[C@H](Nc2c(-c3nn[nH]n3)cnc3c(F)ccc(Cl)c32)C1 ZINC000736568833 598743960 /nfs/dbraw/zinc/74/39/60/598743960.db2.gz CSUVWOHNDUOKOI-JTQLQIEISA-N 1 0 375.839 2.526 20 0 GFADRO Cc1ccccc1[C@H](CC(C)C)[NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000737424022 598778830 /nfs/dbraw/zinc/77/88/30/598778830.db2.gz UERPDGYTVVFDRG-YJBOKZPZSA-N 1 0 380.500 2.790 20 0 GFADRO CC(C)[C@H](c1ccccc1)[N@H+](C)C[C@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000735737115 598796515 /nfs/dbraw/zinc/79/65/15/598796515.db2.gz YYWGFWAVHUPULT-AZUAARDMSA-N 1 0 381.480 2.936 20 0 GFADRO C[C@H](CN1CCOCC1)[N@H+](Cc1ccccc1)Cc1cccc(-c2nn[nH]n2)c1 ZINC000736011004 598809511 /nfs/dbraw/zinc/80/95/11/598809511.db2.gz YGDIVGASWMNSAC-GOSISDBHSA-N 1 0 392.507 2.590 20 0 GFADRO CC[N@@H+](CC(=O)Nc1c(-c2nn[nH]n2)c(C)c(C)n1Cc1ccco1)CC1CC1 ZINC000736511127 598819120 /nfs/dbraw/zinc/81/91/20/598819120.db2.gz OXTFXGCNASBJOZ-UHFFFAOYSA-N 1 0 397.483 2.597 20 0 GFADRO CC[N@H+](CCC(=O)Nc1cccc(-c2nn[nH]n2)c1)Cc1ccc(OC)cc1 ZINC000821207361 599304400 /nfs/dbraw/zinc/30/44/00/599304400.db2.gz MDBUCGINNCHJTR-UHFFFAOYSA-N 1 0 380.452 2.726 20 0 GFADRO FC(F)(F)c1cc([C@H]2CCC[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C2)[nH]n1 ZINC000737634030 599315747 /nfs/dbraw/zinc/31/57/47/599315747.db2.gz XOANNDPSRCCMGN-ZDUSSCGKSA-N 1 0 377.374 2.988 20 0 GFADRO CCS[C@@H]1CC[C@@H]([N@H+](C)Cn2c(C)nnc2-c2cccc(-c3nn[nH]n3)c2)C1 ZINC000821446848 599330191 /nfs/dbraw/zinc/33/01/91/599330191.db2.gz DQZIEKJOMNIRPN-IAGOWNOFSA-N 1 0 398.540 2.997 20 0 GFADRO CC(=O)Nc1cccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2cccc(-c3nn[nH]n3)c2)c1 ZINC000819827606 599386327 /nfs/dbraw/zinc/38/63/27/599386327.db2.gz SVPNWTSMAIOEKD-QWHCGFSZSA-N 1 0 393.451 2.503 20 0 GFADRO CCOc1ccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2cccc(-c3nn[nH]n3)c2)cc1 ZINC000821421689 599389010 /nfs/dbraw/zinc/38/90/10/599389010.db2.gz CQSVJUZYEBZUSM-KGLIPLIRSA-N 1 0 380.452 2.943 20 0 GFADRO C[C@H]([NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1)C(=O)N[C@H]1CCOc2ccccc21 ZINC000820412160 599391302 /nfs/dbraw/zinc/39/13/02/599391302.db2.gz KPJMWKXMUPCAAB-DEYYWGMASA-N 1 0 392.463 2.546 20 0 GFADRO c1ccc(C[NH+]2CCC(Nc3cc(-c4nn[nH]n4)c4ccccc4n3)CC2)nc1 ZINC000738433230 599412349 /nfs/dbraw/zinc/41/23/49/599412349.db2.gz RYWUNWPBSQTVTO-UHFFFAOYSA-N 1 0 386.463 2.886 20 0 GFADRO COc1ccc(C[NH2+]Cc2ccc(-n3ccnc3C)c(F)c2)cc1-c1nn[nH]n1 ZINC000821818495 599415460 /nfs/dbraw/zinc/41/54/60/599415460.db2.gz SYNBWOKQTGTUOD-UHFFFAOYSA-N 1 0 393.426 2.798 20 0 GFADRO C[C@H](NC(=O)NCCCC[N@@H+]1CCCC[C@@H]1C)c1cccc(-c2nn[nH]n2)c1 ZINC000820367923 599416852 /nfs/dbraw/zinc/41/68/52/599416852.db2.gz VRIIPLHXGJFCLY-HOTGVXAUSA-N 1 0 385.516 2.882 20 0 GFADRO FC(F)(F)c1cc(NC2CC[NH+](C[C@H]3CCOC3)CC2)ccc1-c1nn[nH]n1 ZINC000737631476 599441069 /nfs/dbraw/zinc/44/10/69/599441069.db2.gz DMVNZKQAVSAYGB-GFCCVEGCSA-N 1 0 396.417 2.798 20 0 GFADRO CC[C@@H](C)C[C@@H](C)NC(=O)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000820870516 599455821 /nfs/dbraw/zinc/45/58/21/599455821.db2.gz UGYFMPGTAITWIN-IAGOWNOFSA-N 1 0 399.543 2.909 20 0 GFADRO O[C@@H]1CCC[C@@H]1C[NH2+]Cc1cccc(OCc2cccc(-c3nn[nH]n3)c2)c1 ZINC000823697160 599459311 /nfs/dbraw/zinc/45/93/11/599459311.db2.gz JYGAFJJMSXUQGZ-UYAOXDASSA-N 1 0 379.464 2.696 20 0 GFADRO COc1ccc(C)cc1C[NH+]1CCN(c2ccc(F)cc2-c2nn[nH]n2)CC1 ZINC000821783125 599465327 /nfs/dbraw/zinc/46/53/27/599465327.db2.gz XDQPRZLPXAZDQU-UHFFFAOYSA-N 1 0 382.443 2.645 20 0 GFADRO O=C(CC[N@H+]1CC[C@H](Cc2ccc(F)cc2)C1)Nc1ccccc1-c1nn[nH]n1 ZINC000737838161 599478233 /nfs/dbraw/zinc/47/82/33/599478233.db2.gz JPGUENOYXDZZIG-MRXNPFEDSA-N 1 0 394.454 2.899 20 0 GFADRO CC(C)(C)[NH+]1CCC(Nc2c(-c3nn[nH]n3)cnc3c(F)ccc(F)c32)CC1 ZINC000819914504 599484638 /nfs/dbraw/zinc/48/46/38/599484638.db2.gz UOBZKKZHZSCSLN-UHFFFAOYSA-N 1 0 387.438 2.790 20 0 GFADRO CC(C)(C)c1cccc(OCC[NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)c1 ZINC000735652379 599489811 /nfs/dbraw/zinc/48/98/11/599489811.db2.gz IPGTWBKELYKKOG-UHFFFAOYSA-N 1 0 391.479 2.981 20 0 GFADRO CC(C)(C)c1ccc([C@@H](O)C[NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)cc1 ZINC000735648225 599490293 /nfs/dbraw/zinc/49/02/93/599490293.db2.gz AKQUNSJLDRANHV-SFHVURJKSA-N 1 0 391.479 2.635 20 0 GFADRO C[C@@H](NC(=O)C1CC[NH+](Cc2ccccc2)CC1)c1cccc(-c2nn[nH]n2)c1 ZINC000820322996 599498624 /nfs/dbraw/zinc/49/86/24/599498624.db2.gz VOZGJNORPVMQQQ-MRXNPFEDSA-N 1 0 390.491 2.956 20 0 GFADRO C[C@H](NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1cccc(-c2nn[nH]n2)c1 ZINC000820321793 599505877 /nfs/dbraw/zinc/50/58/77/599505877.db2.gz MOIMZHMRPNFCTQ-OXJNMPFZSA-N 1 0 390.491 2.956 20 0 GFADRO O=C(NCC[NH+]1CCCCC1)c1cccc(Nc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000738074241 599565550 /nfs/dbraw/zinc/56/55/50/599565550.db2.gz AAXKUHMSCHRBMV-UHFFFAOYSA-N 1 0 391.479 2.826 20 0 GFADRO C[NH+](C)C[C@@H]1CCN(C(=O)c2cccc(Nc3ccc(-c4nn[nH]n4)cc3)c2)C1 ZINC000736760765 599569786 /nfs/dbraw/zinc/56/97/86/599569786.db2.gz CHGUAHFMDWKWSI-HNNXBMFYSA-N 1 0 391.479 2.634 20 0 GFADRO Cc1cc(C)c(-c2nn[nH]n2)c(N[C@H](C)C[NH+]2CCN(c3ccccc3)CC2)n1 ZINC000822193459 599576839 /nfs/dbraw/zinc/57/68/39/599576839.db2.gz YRMCESBCUSJZLJ-QGZVFWFLSA-N 1 0 392.511 2.501 20 0 GFADRO Cc1cc(N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)n2c3ccccc3nc2c1-c1nn[nH]n1 ZINC000822205676 599577466 /nfs/dbraw/zinc/57/74/66/599577466.db2.gz DPFKYHJITFRTCV-LSDHHAIUSA-N 1 0 390.495 2.895 20 0 GFADRO Cc1ccc([C@@H]2C[C@H](C)CC[N@@H+]2C[C@@H](O)COc2ccc(-c3nn[nH]n3)cc2)o1 ZINC000822233522 599592010 /nfs/dbraw/zinc/59/20/10/599592010.db2.gz QQWFOKIIZYHKQA-BJZITVGISA-N 1 0 397.479 2.981 20 0 GFADRO C[C@@H]1c2ccc(F)cc2CC[N@H+]1CCC(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000820827969 599639122 /nfs/dbraw/zinc/63/91/22/599639122.db2.gz ZGYJCYRQQUVLJL-CYBMUJFWSA-N 1 0 380.427 2.954 20 0 GFADRO Cc1ccc(C(C)(C)C[N@@H+](C)[C@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000822227418 599641587 /nfs/dbraw/zinc/64/15/87/599641587.db2.gz HRBUCDZNVBHFEX-SFHVURJKSA-N 1 0 378.480 2.611 20 0 GFADRO CC[C@@](C)([NH2+]CCC(=O)Nc1ccc(-c2nn[nH]n2)cc1)c1nc(C)cs1 ZINC000820852375 599645091 /nfs/dbraw/zinc/64/50/91/599645091.db2.gz AFLRWGBGAJKXKG-GOSISDBHSA-N 1 0 385.497 2.875 20 0 GFADRO CC(C)c1ccc(C(=O)N(CC[NH+](C)C)Cc2cccc(-c3nn[nH]n3)c2)cn1 ZINC000820187623 607392953 /nfs/dbraw/zinc/39/29/53/607392953.db2.gz JUQJJEDLXOJBEZ-UHFFFAOYSA-N 1 0 393.495 2.589 20 0 GFADRO c1ccc2c(c1)nc(-c1nn[nH]n1)cc2N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000823792220 607472826 /nfs/dbraw/zinc/47/28/26/607472826.db2.gz QAFBJEAZKPCHRY-KUHUBIRLSA-N 1 0 375.480 2.868 20 0 GFADRO Fc1cc(-c2nn[nH]n2)ccc1C[NH2+]CCOc1cccc(Br)c1 ZINC000822744658 607476584 /nfs/dbraw/zinc/47/65/84/607476584.db2.gz ZGFQDOWMYJOJAM-UHFFFAOYSA-N 1 0 392.232 2.937 20 0 GFADRO O[C@H](C[C@H]1CCC[N@@H+]1CCOc1cccc(-c2nn[nH]n2)c1)c1ccc(F)cc1 ZINC000826503283 607476734 /nfs/dbraw/zinc/47/67/34/607476734.db2.gz URGGLICUOKOUKZ-UYAOXDASSA-N 1 0 397.454 2.973 20 0 GFADRO COc1ccc(C[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCCO3)cc1-c1nn[nH]n1 ZINC000826194915 607482121 /nfs/dbraw/zinc/48/21/21/607482121.db2.gz ZWEFNAADWCGXHM-QGZVFWFLSA-N 1 0 393.447 2.984 20 0 GFADRO Fc1cc(-c2nn[nH]n2)ccc1C[NH2+]CCc1nc(-c2ccccn2)cs1 ZINC000822743702 607482613 /nfs/dbraw/zinc/48/26/13/607482613.db2.gz DWIXRUWJFDIYLP-UHFFFAOYSA-N 1 0 381.440 2.857 20 0 GFADRO OC1CC[NH+](Cc2ccccc2NCc2ccc(-c3nn[nH]n3)cc2F)CC1 ZINC000823706864 607483201 /nfs/dbraw/zinc/48/32/01/607483201.db2.gz QHSOASHOVHJLCC-UHFFFAOYSA-N 1 0 382.443 2.575 20 0 GFADRO CC[C@@H]([NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)[C@@H](O)c1c(F)cccc1F ZINC000820925130 607485740 /nfs/dbraw/zinc/48/57/40/607485740.db2.gz DTWQELJAFVERIR-NVXWUHKLSA-N 1 0 377.370 2.886 20 0 GFADRO C[N@H+](Cc1ccnc(-c2nn[nH]n2)c1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000825986334 607488538 /nfs/dbraw/zinc/48/85/38/607488538.db2.gz ZDVXWFJGMAMCRA-CVEARBPZSA-N 1 0 391.262 2.659 20 0 GFADRO Cc1cc(C[N@@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)oc1C(=O)[O-] ZINC000832881511 601156375 /nfs/dbraw/zinc/15/63/75/601156375.db2.gz FETRUURELTXPEH-UHFFFAOYSA-N 1 0 377.529 2.914 20 0 GFADRO COC(=O)[C@H](C)C[N@H+](Cc1ccccc1)Cc1cc(-c2nn[nH]n2)ccc1OC ZINC000826104577 607524288 /nfs/dbraw/zinc/52/42/88/607524288.db2.gz ZJVSCACVCCEOBR-OAHLLOKOSA-N 1 0 395.463 2.687 20 0 GFADRO Cc1ccccc1C[NH+]1CCC(NC(=O)c2ccc(-c3nn[nH]n3)cc2C)CC1 ZINC000826307457 607666140 /nfs/dbraw/zinc/66/61/40/607666140.db2.gz JGONKIKYTFGQAW-UHFFFAOYSA-N 1 0 390.491 2.878 20 0 GFADRO CCOC(=O)CC[C@H]1CCC[N@H+](Cc2cn3ccccc3c2-c2nn[nH]n2)C1 ZINC000825506055 607747865 /nfs/dbraw/zinc/74/78/65/607747865.db2.gz COTZLYGFVZDHPQ-OAHLLOKOSA-N 1 0 382.468 2.675 20 0 GFADRO C[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)C[N@@H+]1Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC000824883373 607750127 /nfs/dbraw/zinc/75/01/27/607750127.db2.gz GSXRJRMCFQYSRZ-TZMCWYRMSA-N 1 0 390.463 2.741 20 0 GFADRO c1csc(C[NH+]2CCN(c3nc4ccccc4cc3-c3nn[nH]n3)CC2)c1 ZINC000823815810 606028391 /nfs/dbraw/zinc/02/83/91/606028391.db2.gz JWHOFAODUAXNNQ-UHFFFAOYSA-N 1 0 377.477 2.799 20 0 GFADRO O=C([O-])N1CCC[C@H]([NH2+]CCc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC000834101190 606049938 /nfs/dbraw/zinc/04/99/38/606049938.db2.gz RQHHBVSNQGPJTA-IBGZPJMESA-N 1 0 375.513 2.826 20 0 GFADRO CC(C)(C)c1nccc(N2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)n1 ZINC000819965313 606060100 /nfs/dbraw/zinc/06/01/00/606060100.db2.gz AVUNVOTYRQOAII-UHFFFAOYSA-N 1 0 392.511 2.667 20 0 GFADRO Clc1cccc(N2CC[NH+](CCCNc3ccc(-c4nn[nH]n4)nc3)CC2)c1 ZINC000822585730 606078195 /nfs/dbraw/zinc/07/81/95/606078195.db2.gz MAEBQBLIFWGQQC-UHFFFAOYSA-N 1 0 398.902 2.539 20 0 GFADRO C[C@@H]1CC[N@H+](C[C@H](O)COc2ccc(-c3nn[nH]n3)cc2)[C@H]1c1cccc(F)c1 ZINC000820722149 606112327 /nfs/dbraw/zinc/11/23/27/606112327.db2.gz GBKHLNQUTCVCEO-HEFCMCLBSA-N 1 0 397.454 2.829 20 0 GFADRO C[C@H]1[C@@H](Cc2ccccc2)CC[N@@H+]1CC(=O)Nc1sccc1-c1nn[nH]n1 ZINC000820643273 606112729 /nfs/dbraw/zinc/11/27/29/606112729.db2.gz SUXNGXMMWRNMAT-DZGCQCFKSA-N 1 0 382.493 2.820 20 0 GFADRO Fc1cc(-c2nn[nH]n2)ccc1C[NH+]1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000822740704 606117789 /nfs/dbraw/zinc/11/77/89/606117789.db2.gz MKBJRVANQKHWRR-KRWDZBQOSA-N 1 0 375.448 2.556 20 0 GFADRO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000820995566 606132016 /nfs/dbraw/zinc/13/20/16/606132016.db2.gz UIHPLQNQTOPDQV-OLZOCXBDSA-N 1 0 375.864 2.611 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)c2cccc(-c3nn[nH]n3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000820659437 606187837 /nfs/dbraw/zinc/18/78/37/606187837.db2.gz XGPYMGHIMMGJOE-DNVCBOLYSA-N 1 0 376.464 2.650 20 0 GFADRO C[NH+](C)CC(C)(C)CNC(=O)c1ccccc1-c1ccccc1-c1nn[nH]n1 ZINC000821582890 606196586 /nfs/dbraw/zinc/19/65/86/606196586.db2.gz BBBJDDSEPUGQBW-UHFFFAOYSA-N 1 0 378.480 2.851 20 0 GFADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1cc(-c2nn[nH]n2)cn1C(C)(C)C ZINC000821254396 606249353 /nfs/dbraw/zinc/24/93/53/606249353.db2.gz LSDVIXCPSXBDGY-CABCVRRESA-N 1 0 386.504 2.514 20 0 GFADRO C[C@@H](CNC(=O)Nc1ccc(F)cc1-c1nn[nH]n1)[N@H+](C)Cc1ccccc1 ZINC000820269732 606358664 /nfs/dbraw/zinc/35/86/64/606358664.db2.gz OYWORHJNHMPOFJ-ZDUSSCGKSA-N 1 0 383.431 2.648 20 0 GFADRO O=C(Nc1cccc(C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)c1)c1ccncc1 ZINC000823364089 606411885 /nfs/dbraw/zinc/41/18/85/606411885.db2.gz ZDUMENVNTYURBD-UHFFFAOYSA-N 1 0 391.460 2.865 20 0 GFADRO COc1ccc(Cl)cc1NC(=O)CC[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC000821827467 606426223 /nfs/dbraw/zinc/42/62/23/606426223.db2.gz BWYXAOHASFTIQK-UHFFFAOYSA-N 1 0 392.872 2.709 20 0 GFADRO O=C(C[NH+]1CCC(c2cccc(F)c2)CC1)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000822993435 606456188 /nfs/dbraw/zinc/45/61/88/606456188.db2.gz TVIZBAVRIDEMHW-UHFFFAOYSA-N 1 0 394.454 2.502 20 0 GFADRO c1ccc(CCCO[C@@H]2CC[N@H+](CCOc3ccc(-c4nn[nH]n4)cc3)C2)cc1 ZINC000823780809 606456571 /nfs/dbraw/zinc/45/65/71/606456571.db2.gz WYRANEYAKSFXMH-OAQYLSRUSA-N 1 0 393.491 2.969 20 0 GFADRO O=C(OC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1cc(-c2nn[nH]n2)cs1 ZINC000823397211 606467732 /nfs/dbraw/zinc/46/77/32/606467732.db2.gz SNNWAWKXENPXHC-OAHLLOKOSA-N 1 0 383.477 2.997 20 0 GFADRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1-c1nn[nH]n1)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000820402717 606472244 /nfs/dbraw/zinc/47/22/44/606472244.db2.gz FKOXNVLNRYEKEG-SSHHRWTQSA-N 1 0 392.463 2.737 20 0 GFADRO CC[NH+](CC)CCOc1ccc(NC(=O)c2cc(-c3nn[nH]n3)cs2)cc1 ZINC000821189604 606486935 /nfs/dbraw/zinc/48/69/35/606486935.db2.gz QBSACSABIDBYNK-UHFFFAOYSA-N 1 0 386.481 2.901 20 0 GFADRO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+]2C[C@H](C)[C@H](C)C2)c1-c1nn[nH]n1 ZINC000822015666 606504520 /nfs/dbraw/zinc/50/45/20/606504520.db2.gz NDOFDNWHUMRUNW-BETUJISGSA-N 1 0 385.516 2.926 20 0 GFADRO C[C@@H](C(=O)OCc1ccc(-c2nn[nH]n2)cc1OC(F)F)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000820683452 606559805 /nfs/dbraw/zinc/55/98/05/606559805.db2.gz BHTFXBMRHKEATJ-TUAOUCFPSA-N 1 0 395.410 2.773 20 0 GFADRO CN(C(=O)Cc1cccc(-c2nn[nH]n2)c1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000821570813 606580597 /nfs/dbraw/zinc/58/05/97/606580597.db2.gz MFBSEWOBWKIZKK-FQEVSTJZSA-N 1 0 390.491 2.532 20 0 GFADRO Cc1nn(-c2ccccc2)c(C[N@H+](C)CCOc2ccccc2)c1-c1nn[nH]n1 ZINC000822487032 606707715 /nfs/dbraw/zinc/70/77/15/606707715.db2.gz YPTWHIZKFBRKTF-UHFFFAOYSA-N 1 0 389.463 2.872 20 0 GFADRO O=C1[C@@H]([N@@H+]2CC[C@@H](c3ccc(F)cc3)C2)CCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000823504050 606717216 /nfs/dbraw/zinc/71/72/16/606717216.db2.gz LIBYQEFPPDNNEN-APWZRJJASA-N 1 0 392.438 2.601 20 0 GFADRO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)c1sccc1-c1nn[nH]n1 ZINC000820761754 606748559 /nfs/dbraw/zinc/74/85/59/606748559.db2.gz ZFASZJDIAAFOIE-ZIAGYGMSSA-N 1 0 396.520 2.815 20 0 GFADRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)Nc2cc(-c3nn[nH]n3)cn2C(C)(C)C)C1 ZINC000820092757 606767102 /nfs/dbraw/zinc/76/71/02/606767102.db2.gz OWIGIQIMTKBVCK-AWEZNQCLSA-N 1 0 388.520 2.523 20 0 GFADRO CCCCOc1ccc(C[NH2+]C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)cc1OC ZINC000821077498 606853758 /nfs/dbraw/zinc/85/37/58/606853758.db2.gz INHNIWFDHFSIIL-GOSISDBHSA-N 1 0 397.479 2.877 20 0 GFADRO O[C@H](C[NH+]1CCC(Cc2cccc(F)c2)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823673132 606854798 /nfs/dbraw/zinc/85/47/98/606854798.db2.gz IULLDPIWVJQFBS-HXUWFJFHSA-N 1 0 381.455 2.994 20 0 GFADRO C[N@H+](CCCOc1ccc(Cl)cc1)C[C@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821600328 606855793 /nfs/dbraw/zinc/85/57/93/606855793.db2.gz HZEOTJHEIXBAOG-SFHVURJKSA-N 1 0 387.871 2.954 20 0 GFADRO CCc1csc([C@H]2CCC[N@H+](C[C@@H](O)c3ccc(-c4nn[nH]n4)cc3)C2)n1 ZINC000821499722 606859369 /nfs/dbraw/zinc/85/93/69/606859369.db2.gz PMSCNPWCBAVNEF-DOTOQJQBSA-N 1 0 384.509 2.799 20 0 GFADRO Cc1nccc([C@@H]2CCC[N@H+](CCCOc3cccc(-c4nn[nH]n4)c3)C2)n1 ZINC000822471812 606887583 /nfs/dbraw/zinc/88/75/83/606887583.db2.gz KMLUTYLOHIZNRZ-QGZVFWFLSA-N 1 0 379.468 2.614 20 0 GFADRO COc1ccc2c(c1)CCC[C@H]2[N@H+](C)C[C@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821850139 606890260 /nfs/dbraw/zinc/89/02/60/606890260.db2.gz XCSCDAFLDIHOGK-UXHICEINSA-N 1 0 379.464 2.918 20 0 GFADRO C[N@H+](C[C@H](O)c1ccc(-c2nn[nH]n2)cc1)C[C@H]1CCCO[C@H]1c1ccccc1 ZINC000821595224 606891795 /nfs/dbraw/zinc/89/17/95/606891795.db2.gz PRZZJDQAMIBUPF-HKBOAZHASA-N 1 0 393.491 3.000 20 0 GFADRO Cc1ccnc(NC[C@@H]2CC[N@H+](CCCOc3cccc(-c4nn[nH]n4)c3)C2)c1 ZINC000822374173 606895731 /nfs/dbraw/zinc/89/57/31/606895731.db2.gz KEZOCRKJZJTECS-KRWDZBQOSA-N 1 0 393.495 2.773 20 0 GFADRO CC[N@H+](C[C@H](O)c1ccc(-c2nn[nH]n2)cc1)[C@H](C)Cc1ccc(OC)cc1 ZINC000821169727 606897559 /nfs/dbraw/zinc/89/75/59/606897559.db2.gz CBWQWXSCNLZYHN-QRWLVFNGSA-N 1 0 381.480 2.862 20 0 GFADRO COc1ccc(C[C@@H]2CCC[N@H+](C[C@@H](O)c3ccc(-c4nn[nH]n4)cc3)C2)cc1 ZINC000821790518 606904221 /nfs/dbraw/zinc/90/42/21/606904221.db2.gz PRVIOZAKIWPXBO-LAUBAEHRSA-N 1 0 393.491 2.863 20 0 GFADRO CCO[C@H]1C[C@H]([N@H+](C)CCC(=O)Nc2sccc2-c2nn[nH]n2)C12CCC2 ZINC000821360473 606917460 /nfs/dbraw/zinc/91/74/60/606917460.db2.gz ROOZBRMGCYFSRW-KBPBESRZSA-N 1 0 390.513 2.536 20 0 GFADRO CCc1nnc(N2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)c(-c2nn[nH]n2)c1CC ZINC000821522174 606935513 /nfs/dbraw/zinc/93/55/13/606935513.db2.gz KEXFZHKNPUTEGW-CVEARBPZSA-N 1 0 398.559 2.872 20 0 GFADRO C[C@H](c1ccc(-n2cncn2)cc1)[N@H+](C)Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC000820563449 606959101 /nfs/dbraw/zinc/95/91/01/606959101.db2.gz QWMVHQTVCZRREQ-CYBMUJFWSA-N 1 0 378.415 2.780 20 0 GFADRO C[N@H+](Cc1ccc(C(=O)NC2CC2)cc1)Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC000821610089 606961235 /nfs/dbraw/zinc/96/12/35/606961235.db2.gz ZWAFAZMZGHAVSV-UHFFFAOYSA-N 1 0 380.427 2.530 20 0 GFADRO CN(C[C@@H]1CCC[N@@H+]1Cc1ccc(F)c(-c2nn[nH]n2)c1)C(=O)OC(C)(C)C ZINC000821596400 606976750 /nfs/dbraw/zinc/97/67/50/606976750.db2.gz IYKGEVWUGAWHFM-AWEZNQCLSA-N 1 0 390.463 2.837 20 0 GFADRO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000820386182 606983765 /nfs/dbraw/zinc/98/37/65/606983765.db2.gz XNOGTGTYHLCTSO-WMLDXEAASA-N 1 0 386.500 2.992 20 0 GFADRO c1ccc(C[N@@H+]2CCC[C@@H]3CN(c4ccc(-c5nn[nH]n5)nc4)CC[C@@H]32)cc1 ZINC000823780123 607031951 /nfs/dbraw/zinc/03/19/51/607031951.db2.gz OJHNZOPTJDMZTQ-XLIONFOSSA-N 1 0 375.480 2.753 20 0 GFADRO COc1cc(C)ccc1[C@@H](C)[NH2+]C1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1 ZINC000821708190 607048034 /nfs/dbraw/zinc/04/80/34/607048034.db2.gz LJDIKRUVYAZOSB-OAHLLOKOSA-N 1 0 393.495 2.898 20 0 GFADRO COc1cc(-c2nn[nH]n2)ccc1OCC[NH+]1CCC(OC(C)(C)C)CC1 ZINC000821701962 607088859 /nfs/dbraw/zinc/08/88/59/607088859.db2.gz BRLHKGVSPOEZAQ-UHFFFAOYSA-N 1 0 375.473 2.534 20 0 GFADRO CC[C@H](Cc1ccccc1)[N@H+](CC)CC(=O)NCc1cccc(-c2nn[nH]n2)c1 ZINC000820913310 607090924 /nfs/dbraw/zinc/09/09/24/607090924.db2.gz FHBSELMSRKPJCV-HXUWFJFHSA-N 1 0 392.507 2.826 20 0 GFADRO CC(C)(C)OC(=O)NC[C@@](C)([NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)C1CC1 ZINC000819940319 607097667 /nfs/dbraw/zinc/09/76/67/607097667.db2.gz WYORHUIPWKYWMY-LJQANCHMSA-N 1 0 390.463 2.789 20 0 GFADRO CC(C)([NH2+]CCCOc1cccc(-c2nn[nH]n2)c1)C(=O)Nc1ccccc1 ZINC000819988247 607102546 /nfs/dbraw/zinc/10/25/46/607102546.db2.gz VFQKEMHIJGDITH-UHFFFAOYSA-N 1 0 380.452 2.643 20 0 GFADRO Cc1cccc([C@H]2CCC[N@@H+]2CCC(=O)Nc2ccccc2-c2nn[nH]n2)n1 ZINC000822299928 607105163 /nfs/dbraw/zinc/10/51/63/607105163.db2.gz ZNAYBURHRLAQQR-GOSISDBHSA-N 1 0 377.452 2.736 20 0 GFADRO O=C(CC[NH+]1CCC(C(F)F)CC1)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000822963937 607109155 /nfs/dbraw/zinc/10/91/55/607109155.db2.gz BDQDXUOWZGKJDV-UHFFFAOYSA-N 1 0 384.818 2.826 20 0 GFADRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=S)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)C1 ZINC000821623503 607171505 /nfs/dbraw/zinc/17/15/05/607171505.db2.gz MDRSOQNPDDUPMA-NHYWBVRUSA-N 1 0 391.932 2.633 20 0 GFADRO C[C@@H]1C[N@@H+](CCCCNc2cc(-c3nn[nH]n3)nc3ccccc32)C[C@H](C)O1 ZINC000820761620 607173735 /nfs/dbraw/zinc/17/37/35/607173735.db2.gz YSOLDDVPFRELIG-GASCZTMLSA-N 1 0 381.484 2.716 20 0 GFADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc(-c3nn[nH]n3)cc2Cl)C1 ZINC000821088833 607200830 /nfs/dbraw/zinc/20/08/30/607200830.db2.gz XVYQMPORMONYNM-LBPRGKRZSA-N 1 0 377.880 2.716 20 0 GFADRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=S)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000824262067 607783697 /nfs/dbraw/zinc/78/36/97/607783697.db2.gz VYLWYRMGCXQDIE-CYBMUJFWSA-N 1 0 393.948 2.927 20 0 GFADRO CC(C)C[C@H]1CCCCC[N@@H+]1CCS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000824243523 607828653 /nfs/dbraw/zinc/82/86/53/607828653.db2.gz IEOCFDUFFYQUMC-QGZVFWFLSA-N 1 0 391.541 2.931 20 0 GFADRO CC(C)(C)[C@@H]1CCCC[C@H]1[NH2+]CCS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000824079586 607829566 /nfs/dbraw/zinc/82/95/66/607829566.db2.gz PQFPOTWEPYGNFG-IAGOWNOFSA-N 1 0 391.541 2.835 20 0 GFADRO CC(C)[N@H+](CCS(=O)(=O)c1cccc(-c2nn[nH]n2)c1)C1CCCCC1 ZINC000824288944 607829576 /nfs/dbraw/zinc/82/95/76/607829576.db2.gz QVCWYQUGQNECLJ-UHFFFAOYSA-N 1 0 377.514 2.684 20 0 GFADRO C[N@H+](CCNC(=O)c1c(Cl)cc(-c2nn[nH]n2)cc1Cl)C1CCCC1 ZINC000825941493 607834442 /nfs/dbraw/zinc/83/44/42/607834442.db2.gz JXYHBOPOEZDAOX-UHFFFAOYSA-N 1 0 383.283 2.778 20 0 GFADRO CC[C@@H]([NH2+]Cc1ccccc1-c1nn[nH]n1)c1ccccc1OCC(=O)N(C)C ZINC000825148410 607908589 /nfs/dbraw/zinc/90/85/89/607908589.db2.gz QNYZCHHMQNGJOU-GOSISDBHSA-N 1 0 394.479 2.575 20 0 GFADRO c1nc2ccccc2n1C[C@H]1CCC[N@H+]1CCOc1ccccc1-c1nn[nH]n1 ZINC000826519760 607958954 /nfs/dbraw/zinc/95/89/54/607958954.db2.gz MUWPATVZKPSUJB-MRXNPFEDSA-N 1 0 389.463 2.760 20 0 GFADRO C[NH+](C)CCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)NCC12CCC(CC1)C2 ZINC000825865619 607959463 /nfs/dbraw/zinc/95/94/63/607959463.db2.gz IGLOAMFDTHBRCC-UHFFFAOYSA-N 1 0 397.527 2.520 20 0 GFADRO C[C@@H]([NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)c1cccc(N2CCCC2=O)c1 ZINC000824611704 607986251 /nfs/dbraw/zinc/98/62/51/607986251.db2.gz DADYWPZPGQYIAD-CYBMUJFWSA-N 1 0 380.427 2.983 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCCN(Cc2ccccc2)C1=O)c1cccc(-c2nn[nH]n2)c1 ZINC000824545609 608015501 /nfs/dbraw/zinc/01/55/01/608015501.db2.gz DJHOGPOBHCSDES-HNAYVOBHSA-N 1 0 376.464 2.709 20 0 GFADRO O=C(N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)c1cc(-c2nn[nH]n2)cs1 ZINC000826429736 608134827 /nfs/dbraw/zinc/13/48/27/608134827.db2.gz LRQBURRALFQHBB-USXIJHARSA-N 1 0 394.504 2.569 20 0 GFADRO CC[N@H+](CCC1CCN(C(=O)Cc2ccc(-c3nn[nH]n3)cc2)CC1)CC1CC1 ZINC000825419953 608202484 /nfs/dbraw/zinc/20/24/84/608202484.db2.gz WEPPRQSKNUDSME-UHFFFAOYSA-N 1 0 396.539 2.770 20 0 GFADRO CC[N@H+](CCC1CCN(C(=O)c2ccc(-c3nn[nH]n3)s2)CC1)CC1CC1 ZINC000825419701 608202664 /nfs/dbraw/zinc/20/26/64/608202664.db2.gz SSEUIPXSZJNHQO-UHFFFAOYSA-N 1 0 388.541 2.902 20 0 GFADRO C[C@@H](CCO)[N@H+](CCCOc1cccc(-c2nn[nH]n2)c1)Cc1ccccc1 ZINC000824405862 608267856 /nfs/dbraw/zinc/26/78/56/608267856.db2.gz AGUUVURZLRGSDV-KRWDZBQOSA-N 1 0 381.480 2.909 20 0 GFADRO C[C@H]([NH2+]CCOc1ccc(-c2nn[nH]n2)cc1)c1cnn(Cc2ccccc2)c1 ZINC000824600190 608279473 /nfs/dbraw/zinc/27/94/73/608279473.db2.gz XPFUXCBVAWEPKU-INIZCTEOSA-N 1 0 389.463 2.841 20 0 GFADRO CC[N@@H+]1C[C@H](C)N(C(=O)Nc2ccc(OC(C)C)c(-c3nn[nH]n3)c2)C[C@@H]1C ZINC000825444790 608307518 /nfs/dbraw/zinc/30/75/18/608307518.db2.gz QWXVKNIJPOYIQY-KBPBESRZSA-N 1 0 387.488 2.600 20 0 GFADRO Cc1nn(-c2ccccc2)c(C[N@@H+]2CC[C@H](c3ccco3)C2)c1-c1nn[nH]n1 ZINC000826332021 608312296 /nfs/dbraw/zinc/31/22/96/608312296.db2.gz HJLIEQUTILBDLC-HNNXBMFYSA-N 1 0 375.436 2.943 20 0 GFADRO COCC1(C)CC[NH+](CCC(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)CC1 ZINC000826152823 608327901 /nfs/dbraw/zinc/32/79/01/608327901.db2.gz OQNXFHOKXLPIAW-UHFFFAOYSA-N 1 0 392.891 2.597 20 0 GFADRO COc1cc(-c2nn[nH]n2)ccc1C[NH+]1CCC(NC(=O)CC2CCCC2)CC1 ZINC000826168177 608361220 /nfs/dbraw/zinc/36/12/20/608361220.db2.gz FDQRXYWQXIMTDF-UHFFFAOYSA-N 1 0 398.511 2.536 20 0 GFADRO CCCCNC(=O)C1([NH2+]Cc2ccc(-c3nn[nH]n3)cc2OC)CCCCC1 ZINC000825285339 608371797 /nfs/dbraw/zinc/37/17/97/608371797.db2.gz RGIYEENCXVLTNV-UHFFFAOYSA-N 1 0 386.500 2.584 20 0 GFADRO CCC[NH+]1CCC(NC(=O)N2CC=C(c3ccc(-c4nn[nH]n4)cc3)CC2)CC1 ZINC000825328361 608390231 /nfs/dbraw/zinc/39/02/31/608390231.db2.gz QPRPCZSMYPKKFO-UHFFFAOYSA-N 1 0 395.511 2.540 20 0 GFADRO CN(C[C@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2F)C1)C(=O)OC(C)(C)C ZINC000825908421 608392235 /nfs/dbraw/zinc/39/22/35/608392235.db2.gz HLARBYJWAAJJES-CYBMUJFWSA-N 1 0 390.463 2.695 20 0 GFADRO O=C([C@H]1CC12CC[NH+](Cc1cccc(-c3nn[nH]n3)c1F)CC2)N1CCCCC1 ZINC000826397324 608421352 /nfs/dbraw/zinc/42/13/52/608421352.db2.gz AUKIYAYEMNIGIL-QGZVFWFLSA-N 1 0 398.486 2.620 20 0 GFADRO CC[C@@H]([NH2+][C@H](C)C(=O)Nc1cccc(-c2nn[nH]n2)c1)c1ccccc1OC ZINC000825142984 608456153 /nfs/dbraw/zinc/45/61/53/608456153.db2.gz UNOZMRXOULKKHJ-CXAGYDPISA-N 1 0 380.452 2.943 20 0 GFADRO Cc1ccccc1C[C@@H](C)NC(=O)C[NH2+][C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000826307144 608460330 /nfs/dbraw/zinc/46/03/30/608460330.db2.gz XOKZULOLXQUNPZ-CVEARBPZSA-N 1 0 378.480 2.573 20 0 GFADRO C[C@H]([NH2+]CC(=O)NCCCSc1ccccc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824562321 608460763 /nfs/dbraw/zinc/46/07/63/608460763.db2.gz FMBZXZZGWYMJCN-HNNXBMFYSA-N 1 0 396.520 2.816 20 0 GFADRO COc1ccc(NC(=O)C[NH2+][C@H](C)c2ccc(-c3nn[nH]n3)cc2)cc1Cl ZINC000826209836 608461456 /nfs/dbraw/zinc/46/14/56/608461456.db2.gz SSKLNPFFWVZRCD-LLVKDONJSA-N 1 0 386.843 2.818 20 0 GFADRO C[C@@H]([NH2+]CC(=O)Nc1ccc(OC(F)F)cc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824562608 608466563 /nfs/dbraw/zinc/46/65/63/608466563.db2.gz HPDMRJBYNWWGFY-LLVKDONJSA-N 1 0 388.378 2.757 20 0 GFADRO CCOc1cccc([C@@H](C)[NH2+]Cc2cccc(C(=O)OC)c2-c2nn[nH]n2)c1 ZINC000825648958 608471583 /nfs/dbraw/zinc/47/15/83/608471583.db2.gz HWOHCGSLZGPMSZ-CYBMUJFWSA-N 1 0 381.436 2.903 20 0 GFADRO C[C@@H]([NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)c1cccc(N2CCOC2=O)c1 ZINC000824613934 608474144 /nfs/dbraw/zinc/47/41/44/608474144.db2.gz YSGCSKQYVYGFIL-GFCCVEGCSA-N 1 0 382.399 2.813 20 0 GFADRO C[C@@H]([NH2+]C[C@H](O)COc1ccc(-c2nn[nH]n2)cc1)C(C)(C)c1ccccc1 ZINC000824572029 608476911 /nfs/dbraw/zinc/47/69/11/608476911.db2.gz SEYBUJMCAHBSJR-QAPCUYQASA-N 1 0 381.480 2.562 20 0 GFADRO CCN(Cc1ccccc1)C(=O)[C@@H](C)[NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1 ZINC000825439852 608482473 /nfs/dbraw/zinc/48/24/73/608482473.db2.gz QNTFOTJPJIGWTO-JKSUJKDBSA-N 1 0 378.480 2.955 20 0 GFADRO C[C@@H]([NH2+]CC(=O)NC12CC3CC(CC(C3)C1)C2)c1cccc(-c2nn[nH]n2)c1 ZINC000824554740 608487139 /nfs/dbraw/zinc/48/71/39/608487139.db2.gz RMRJNUPZFCAVPB-BUBBNXEVSA-N 1 0 380.496 2.602 20 0 GFADRO CCCOc1ccc(CNC(=O)C[NH2+][C@H](C)c2cccc(-c3nn[nH]n3)c2)cc1 ZINC000825338540 608487515 /nfs/dbraw/zinc/48/75/15/608487515.db2.gz BYPUUNAHVDPUIW-OAHLLOKOSA-N 1 0 394.479 2.623 20 0 GFADRO Cc1ccc(C(=O)NCC[NH2+][C@H]2CCCc3cc(-c4nn[nH]n4)ccc32)cc1 ZINC000826281954 608504282 /nfs/dbraw/zinc/50/42/82/608504282.db2.gz QWMYIPQLKBFBKI-IBGZPJMESA-N 1 0 376.464 2.572 20 0 GFADRO c1ccc(-c2cccc(C[NH+]3CCN(c4cc(-c5nn[nH]n5)ccn4)CC3)c2)nc1 ZINC000826518973 608514232 /nfs/dbraw/zinc/51/42/32/608514232.db2.gz FFNNKEBERGFUGC-UHFFFAOYSA-N 1 0 398.474 2.646 20 0 GFADRO Cc1ccc(N2CCC[C@@H]([NH2+][C@@H]3CCCc4cc(-c5nn[nH]n5)ccc43)C2)nn1 ZINC000826290525 608520103 /nfs/dbraw/zinc/52/01/03/608520103.db2.gz PENCNYWYKAFBMO-IEBWSBKVSA-N 1 0 390.495 2.601 20 0 GFADRO O=C(CC[NH2+][C@@H](c1ccccc1)[C@@H]1CCOC1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000826407184 608526574 /nfs/dbraw/zinc/52/65/74/608526574.db2.gz DUTDRDFLTDFWOH-XLIONFOSSA-N 1 0 392.463 2.563 20 0 GFADRO COc1cc(F)c([C@@H](C)[NH2+]CCOc2ccccc2-c2nn[nH]n2)cc1OC ZINC000826179891 608526741 /nfs/dbraw/zinc/52/67/41/608526741.db2.gz JPVLDLNNJGYXPQ-GFCCVEGCSA-N 1 0 387.415 2.753 20 0 GFADRO CC(C)(C)OC(=O)NCC1CC[NH+](Cc2ccc(-c3nn[nH]n3)s2)CC1 ZINC000824109655 608533519 /nfs/dbraw/zinc/53/35/19/608533519.db2.gz VBTAWGNJBMIZQA-UHFFFAOYSA-N 1 0 378.502 2.665 20 0 GFADRO CCC[N@H+](Cc1cnc2ccc(-c3nn[nH]n3)cn12)Cc1ccc(OC)cc1 ZINC000825323141 608546026 /nfs/dbraw/zinc/54/60/26/608546026.db2.gz POTGVFDBWSOCNQ-UHFFFAOYSA-N 1 0 377.452 2.935 20 0 GFADRO COCC[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)CC1=Cc2ccccc2OC1 ZINC000826157832 608566680 /nfs/dbraw/zinc/56/66/80/608566680.db2.gz NRENLCIMSJIPMV-UHFFFAOYSA-N 1 0 377.448 2.791 20 0 GFADRO CCc1ccc(C[NH+]2CCC(C(=O)Nc3cccc(-c4nn[nH]n4)c3)CC2)o1 ZINC000825711442 608660065 /nfs/dbraw/zinc/66/00/65/608660065.db2.gz BDSYQFCNTVTTAB-UHFFFAOYSA-N 1 0 380.452 2.873 20 0 GFADRO c1cc(-c2nn[nH]n2)oc1CN1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000826521530 608845571 /nfs/dbraw/zinc/84/55/71/608845571.db2.gz QGCHURHTZLHPDS-HKUYNNGSSA-N 1 0 378.480 2.946 20 0 GFADRO C[C@H]([NH2+][C@@H]1C[C@@H](C)N(c2ccccc2)C1=O)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824539516 609151065 /nfs/dbraw/zinc/15/10/65/609151065.db2.gz OFKMZIVMLSSNRP-FHSNZYRGSA-N 1 0 380.427 2.850 20 0 GFADRO CC[C@@H]1C[C@@H](C[NH+]2CCC(C(=O)Nc3cccc(-c4nn[nH]n4)c3)CC2)CCO1 ZINC000825184043 609172540 /nfs/dbraw/zinc/17/25/40/609172540.db2.gz QNALPZNFSOYVPV-HNAYVOBHSA-N 1 0 398.511 2.722 20 0 GFADRO CCCN(C(=O)c1c[nH]c(-c2nn[nH]n2)c1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000825301141 609205220 /nfs/dbraw/zinc/20/52/20/609205220.db2.gz HVFYHLWPPRXGTR-GOSISDBHSA-N 1 0 393.495 2.712 20 0 GFADRO CC(C)[C@@](C)(CNC(=O)OC(C)(C)C)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC000824193094 609260439 /nfs/dbraw/zinc/26/04/39/609260439.db2.gz SDHWBYLVKKRQTL-QGZVFWFLSA-N 1 0 380.518 2.957 20 0 GFADRO O=c1[nH]c2ccccc2n1CCC[NH2+]C1(c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000826501159 609282374 /nfs/dbraw/zinc/28/23/74/609282374.db2.gz CDOYXFCJKWMKNE-UHFFFAOYSA-N 1 0 375.436 2.591 20 0 GFADRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)c1ccc(Cl)c(-c2nn[nH]n2)c1 ZINC000824936486 609288754 /nfs/dbraw/zinc/28/87/54/609288754.db2.gz HZYFLVQKRCWFNQ-ZDUSSCGKSA-N 1 0 376.892 2.905 20 0 GFADRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1ccc(Cl)c(-c2nn[nH]n2)c1 ZINC000824874456 609290009 /nfs/dbraw/zinc/29/00/09/609290009.db2.gz CYDPIEBDGJJHSH-FRRDWIJNSA-N 1 0 376.892 2.616 20 0 GFADRO C[C@H](NC(=O)c1c(F)cc(-c2nn[nH]n2)cc1F)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000824506221 609291758 /nfs/dbraw/zinc/29/17/58/609291758.db2.gz MSZODLTWBSSBGU-NWDGAFQWSA-N 1 0 390.438 2.528 20 0 GFADRO CC(C)CN(C(=O)c1ccc(Cl)c(-c2nn[nH]n2)c1)C1CC[NH+](C)CC1 ZINC000824255821 609299336 /nfs/dbraw/zinc/29/93/36/609299336.db2.gz ZIIBKMOBMQOKAJ-UHFFFAOYSA-N 1 0 376.892 2.713 20 0 GFADRO C[C@H]([NH2+]C[C@@H]1CN(Cc2ccccc2)CCO1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824584534 609322990 /nfs/dbraw/zinc/32/29/90/609322990.db2.gz BUSYRLIOCYDZMV-MAUKXSAKSA-N 1 0 396.470 2.557 20 0 GFADRO C[C@@H]([NH2+]CCCS(=O)(=O)c1ccccc1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824594032 609330439 /nfs/dbraw/zinc/33/04/39/609330439.db2.gz VZEMZVBDJYWJHX-CYBMUJFWSA-N 1 0 389.456 2.520 20 0 GFADRO Cn1cc(C[NH2+]CCc2cccc(F)c2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826361651 609336031 /nfs/dbraw/zinc/33/60/31/609336031.db2.gz HIJBOKDWQKGGCJ-UHFFFAOYSA-N 1 0 377.427 2.739 20 0 GFADRO C[C@H]([NH2+]CC1(N(C)C)Cc2ccccc2C1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824576443 609337442 /nfs/dbraw/zinc/33/74/42/609337442.db2.gz AKSCUKPUZCPGCX-AWEZNQCLSA-N 1 0 380.471 2.756 20 0 GFADRO Cn1cc(C[NH2+]Cc2cc(F)ccc2F)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826361513 609338930 /nfs/dbraw/zinc/33/89/30/609338930.db2.gz ADFZEUCRDJIGLV-UHFFFAOYSA-N 1 0 381.390 2.835 20 0 GFADRO Cn1cc(CNc2ccc3c(c2)C[N@@H+](C)C3)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826045589 609342627 /nfs/dbraw/zinc/34/26/27/609342627.db2.gz ZVPQQNSRIXCNAR-UHFFFAOYSA-N 1 0 386.463 2.825 20 0 GFADRO Cn1cc(C[NH2+][C@H]2CCOC3(CCCC3)C2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826361254 609343287 /nfs/dbraw/zinc/34/32/87/609343287.db2.gz QUHRBKFYHSQKAY-SFHVURJKSA-N 1 0 393.495 2.849 20 0 GFADRO COc1cccc([C@H]2[C@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)CCN2C2CC2)c1 ZINC000826215269 609346376 /nfs/dbraw/zinc/34/63/76/609346376.db2.gz KITZQKVYKZHMNC-RTWAWAEBSA-N 1 0 390.491 2.943 20 0 GFADRO COc1cccc([C@@H]2[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)CCN2C2CC2)c1 ZINC000826215454 609346489 /nfs/dbraw/zinc/34/64/89/609346489.db2.gz PHJJBIYCLRUCEB-LEWJYISDSA-N 1 0 390.491 2.943 20 0 GFADRO C[C@H](C[NH2+][C@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O)c1ccccc1 ZINC000824427430 609411981 /nfs/dbraw/zinc/41/19/81/609411981.db2.gz NCWPADBTNPFRLV-BEFAXECRSA-N 1 0 376.464 2.755 20 0 GFADRO O=C1[C@H]([NH2+]Cc2cc3ccccc3[nH]2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476752 609415623 /nfs/dbraw/zinc/41/56/23/609415623.db2.gz OIIODFBFJFTHHO-LJQANCHMSA-N 1 0 387.447 2.633 20 0 GFADRO O=C1[C@H]([NH2+][C@H]2CCC[C@@H](C3CC3)C2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476544 609417419 /nfs/dbraw/zinc/41/74/19/609417419.db2.gz KBJHMMLPKKECCX-ZIFCJYIRSA-N 1 0 380.496 2.921 20 0 GFADRO COc1ccc2c(c1)C[C@H](C)[N@@H+](C[C@H](O)c1ccc(-c3nn[nH]n3)cc1)[C@@H]2C ZINC000826212269 609431670 /nfs/dbraw/zinc/43/16/70/609431670.db2.gz LHPNFGWAPMOWGW-MNVSYLFESA-N 1 0 379.464 2.917 20 0 GFADRO C[C@H](NC(=O)c1cccc(-c2nn[nH]n2)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000824522720 609456660 /nfs/dbraw/zinc/45/66/60/609456660.db2.gz UWDVLEGZKRRZNZ-KXBFYZLASA-N 1 0 376.464 2.507 20 0 GFADRO Cc1ccccc1C[NH+]1CCN(c2ncc(Cl)c(C)c2-c2nn[nH]n2)CC1 ZINC000826307715 609522566 /nfs/dbraw/zinc/52/25/66/609522566.db2.gz UHRLKXFKYMGSKS-UHFFFAOYSA-N 1 0 383.887 2.854 20 0 GFADRO CCOCCC[N@@H+]1CC[C@@H](Nc2ncc(Cl)c(C)c2-c2nn[nH]n2)[C@@H](C)C1 ZINC000825593855 609555006 /nfs/dbraw/zinc/55/50/06/609555006.db2.gz FSIXMGUDGDXRMB-SWLSCSKDSA-N 1 0 393.923 2.772 20 0 GFADRO CN(C[C@@H]1CCC[N@@H+]1C)CN1CC[C@@H](c2cccc(Br)c2)C1=O ZINC000817374532 660192345 /nfs/dbraw/zinc/19/23/45/660192345.db2.gz LKTRUDPVBHPWGK-IRXDYDNUSA-N 1 0 380.330 2.749 20 0 GFADRO COC1([C@H](C)[NH2+]CC2CCN(S(=O)(=O)C(F)(F)F)CC2)CCCCC1 ZINC000817577405 660201510 /nfs/dbraw/zinc/20/15/10/660201510.db2.gz JMZRIARWTBKJGH-ZDUSSCGKSA-N 1 0 386.480 2.875 20 0 GFADRO O=C(NC[C@H](O)c1c(Cl)cccc1Cl)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000817948240 660212502 /nfs/dbraw/zinc/21/25/02/660212502.db2.gz GZHOVDMWWHKSQR-WFASDCNBSA-N 1 0 383.279 2.578 20 0 GFADRO O=C(c1ccc(-n2cc(Br)cn2)cc1)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000818016716 660213703 /nfs/dbraw/zinc/21/37/03/660213703.db2.gz NQHWDLOLQBUINU-KRWDZBQOSA-N 1 0 375.270 2.603 20 0 GFADRO Cc1ccc(-n2nc(Br)cc2C(=O)N2CC[C@]3(CCC[NH2+]3)C2)cc1 ZINC000818018866 660213940 /nfs/dbraw/zinc/21/39/40/660213940.db2.gz UOCXMFLOMWIOEQ-GOSISDBHSA-N 1 0 389.297 2.911 20 0 GFADRO [NH3+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)Cc1cc2c(cc1Br)OCCO2 ZINC000818474239 660226829 /nfs/dbraw/zinc/22/68/29/660226829.db2.gz WELGGBWXMHQMLI-AGUYFDCRSA-N 1 0 395.297 2.634 20 0 GFADRO CC(C)C[C@@](C)(C[NH3+])NC(=O)c1cn(-c2ccccc2Br)nn1 ZINC000818519389 660227894 /nfs/dbraw/zinc/22/78/94/660227894.db2.gz UXGLPSJQOHGBBR-INIZCTEOSA-N 1 0 380.290 2.523 20 0 GFADRO O=S(=O)(CC[NH2+]C[C@H](O)c1c(F)cccc1F)c1ccc(Cl)cc1 ZINC000818971771 660239275 /nfs/dbraw/zinc/23/92/75/660239275.db2.gz APDMBDSXZVTTNE-HNNXBMFYSA-N 1 0 375.824 2.715 20 0 GFADRO CC(C)C(=O)NCC[NH2+]C[C@](C)(O)c1ccc(Br)cc1Cl ZINC000818942651 660236034 /nfs/dbraw/zinc/23/60/34/660236034.db2.gz NIQQYTXOGAMTGI-HNNXBMFYSA-N 1 0 377.710 2.672 20 0 GFADRO CCN(CC)S(=O)(=O)c1ccc(C[NH2+]C[C@H](O)c2cccc(F)c2)s1 ZINC000818945803 660236365 /nfs/dbraw/zinc/23/63/65/660236365.db2.gz PAAVTDSSWSHSNS-INIZCTEOSA-N 1 0 386.514 2.741 20 0 GFADRO Cc1ncc2c(n1)CC[C@@H]([NH2+]C[C@H](O)c1ccc(F)c(Br)c1)C2 ZINC000818949398 660237142 /nfs/dbraw/zinc/23/71/42/660237142.db2.gz LUXGUIMXCBIIQT-DYVFJYSZSA-N 1 0 380.261 2.867 20 0 GFADRO CNC(=O)c1cccc(C[NH2+]C[C@@](C)(O)c2ccc(Br)cc2F)c1 ZINC000818952714 660237536 /nfs/dbraw/zinc/23/75/36/660237536.db2.gz VQSDJAPAQYCNTK-GOSISDBHSA-N 1 0 395.272 2.945 20 0 GFADRO O=S(=O)(CC[NH2+]C[C@@H](O)c1ccccc1Br)Cc1ccccc1 ZINC000818976547 660240453 /nfs/dbraw/zinc/24/04/53/660240453.db2.gz ITHRMAGCNROSIA-QGZVFWFLSA-N 1 0 398.322 2.687 20 0 GFADRO O=C(NCCC[NH2+]C[C@H](O)c1ccc(Br)cc1)c1ccccc1 ZINC000818988790 660241964 /nfs/dbraw/zinc/24/19/64/660241964.db2.gz DCIPVQKRONPDSG-KRWDZBQOSA-N 1 0 377.282 2.892 20 0 GFADRO CCS(=O)(=O)CC[NH2+]C[C@@H](O)COc1cc(C)c(Cl)cc1C(C)C ZINC000819012648 660243250 /nfs/dbraw/zinc/24/32/50/660243250.db2.gz HIMXNUIZNHXFMX-CQSZACIVSA-N 1 0 377.934 2.536 20 0 GFADRO COCCN1CC[C@@H]([NH2+]C[C@@](C)(O)c2ccc(Br)cc2Cl)C1 ZINC000819039717 660244111 /nfs/dbraw/zinc/24/41/11/660244111.db2.gz SCHNFTPAIAFUML-CZUORRHYSA-N 1 0 391.737 2.620 20 0 GFADRO CC[C@@H]1C[N@H+](C)CCN1C(=O)/C=C/c1cc(Br)c(O)c(OC)c1 ZINC000818972161 660239461 /nfs/dbraw/zinc/23/94/61/660239461.db2.gz STZLOAPFACCIGM-URWSZGRFSA-N 1 0 383.286 2.729 20 0 GFADRO C[C@@H](C[NH2+]C[C@H](O)c1ccc(S(C)(=O)=O)cc1)Oc1ccccc1Cl ZINC000819115109 660246971 /nfs/dbraw/zinc/24/69/71/660246971.db2.gz CQZOKLOSHWZIPC-GUYCJALGSA-N 1 0 383.897 2.834 20 0 GFADRO CC1(O)CCC([NH2+]CCS(=O)(=O)c2cccc(Br)c2)CC1 ZINC000819134119 660247577 /nfs/dbraw/zinc/24/75/77/660247577.db2.gz WUMDDEHTJIQVBR-UHFFFAOYSA-N 1 0 376.316 2.506 20 0 GFADRO O=S1(=O)CCc2cc(C[NH2+]C[C@H](O)c3cccc(Br)c3)ccc21 ZINC000819151824 660248175 /nfs/dbraw/zinc/24/81/75/660248175.db2.gz FNHQHADLRGPNPJ-INIZCTEOSA-N 1 0 396.306 2.602 20 0 GFADRO CO[C@H](C[NH2+]C[C@@H](O)c1ccc(S(C)(=O)=O)cc1)c1ccccc1Cl ZINC000819169263 660248628 /nfs/dbraw/zinc/24/86/28/660248628.db2.gz YYEQCVBKLDQZMJ-QZTJIDSGSA-N 1 0 383.897 2.754 20 0 GFADRO O=C1[C@@H]([NH2+]C[C@@H](O)c2cccc(Br)c2)CCCN1CC(F)(F)F ZINC000819181939 660249115 /nfs/dbraw/zinc/24/91/15/660249115.db2.gz DVFIEQCJEWFJLX-QWHCGFSZSA-N 1 0 395.219 2.625 20 0 GFADRO CCOC(=O)C[C@@H](C)C[NH2+]C[C@@](C)(O)c1ccc(Br)cc1F ZINC000819192921 660249539 /nfs/dbraw/zinc/24/95/39/660249539.db2.gz ATFMKTKVCKIIHY-BDJLRTHQSA-N 1 0 376.266 2.975 20 0 GFADRO CO[C@]1(C[NH2+]C[C@](C)(O)c2ccc(Br)cc2Cl)CCOC1 ZINC000819235125 660251221 /nfs/dbraw/zinc/25/12/21/660251221.db2.gz MSDQZDLDIMGUDV-GJZGRUSLSA-N 1 0 378.694 2.705 20 0 GFADRO C[C@](O)(C[NH2+][C@@H]1CCO[C@@]2(CCOC2)C1)c1ccc(Br)cc1F ZINC000819204147 660250159 /nfs/dbraw/zinc/25/01/59/660250159.db2.gz PSDQTPTXBUQUIG-COXVUDFISA-N 1 0 388.277 2.723 20 0 GFADRO O[C@@H](C[NH2+]CCc1cn2c(n1)SCC2)c1ccc(F)c(Br)c1 ZINC000819233856 660251229 /nfs/dbraw/zinc/25/12/29/660251229.db2.gz UWAWOFGRRRRCPD-AWEZNQCLSA-N 1 0 386.290 2.756 20 0 GFADRO O[C@H](C[NH2+]C1CCN(c2cccnn2)CC1)c1ccc(Br)cc1 ZINC000819264134 660252738 /nfs/dbraw/zinc/25/27/38/660252738.db2.gz MAVVBKHLQAQNDE-MRXNPFEDSA-N 1 0 377.286 2.531 20 0 GFADRO Cc1cc(N2CCC[C@@H]([NH2+]C[C@H](O)c3ccc(Br)cc3)C2)n(C)n1 ZINC000819267205 660252972 /nfs/dbraw/zinc/25/29/72/660252972.db2.gz RWALHONCKKKZMP-SJORKVTESA-N 1 0 393.329 2.783 20 0 GFADRO Cn1ccnc1[C@@H]1C[C@H]([NH2+]C[C@@H](O)c2cccc(Br)c2)CCO1 ZINC000819360959 660256853 /nfs/dbraw/zinc/25/68/53/660256853.db2.gz MOGCHGZNFIJOSK-OAGGEKHMSA-N 1 0 380.286 2.726 20 0 GFADRO COC(=O)N1CCC(C[NH2+]C[C@@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000819308344 660254480 /nfs/dbraw/zinc/25/44/80/660254480.db2.gz QOOWCHAPRGIQOX-CYBMUJFWSA-N 1 0 391.295 2.801 20 0 GFADRO Cc1cc(C[NH2+]C[C@H](O)c2ccc(Br)cc2)nc(N2CCCC2)n1 ZINC000819328681 660255129 /nfs/dbraw/zinc/25/51/29/660255129.db2.gz IJSSDIFRBNSSOT-KRWDZBQOSA-N 1 0 391.313 2.971 20 0 GFADRO COCCOC1(C[NH2+]C[C@H](O)c2ccc(Cl)cc2Cl)CCOCC1 ZINC000819339904 660255716 /nfs/dbraw/zinc/25/57/16/660255716.db2.gz PUHBOFSXCVLEGK-INIZCTEOSA-N 1 0 378.296 2.829 20 0 GFADRO CO[C@@H]1COCC[C@@H]1C[NH2+]C[C@@](C)(O)c1ccc(Br)cc1Cl ZINC000819344740 660255940 /nfs/dbraw/zinc/25/59/40/660255940.db2.gz MQSIWWFMZCLUKT-HFBAOOFYSA-N 1 0 392.721 2.951 20 0 GFADRO CCOC(=O)N1CC[C@@H]([NH2+]C[C@@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000819238469 660251437 /nfs/dbraw/zinc/25/14/37/660251437.db2.gz GNEOZKZOKLCANI-CHWSQXEVSA-N 1 0 377.268 2.554 20 0 GFADRO CCOC(=O)N1CC[C@@H]([NH2+]C[C@@H](O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000819239892 660251446 /nfs/dbraw/zinc/25/14/46/660251446.db2.gz WUJUXYNRNMZOKE-VXGBXAGGSA-N 1 0 377.268 2.554 20 0 GFADRO C[C@](O)(C[NH2+]CCN1CCCOCC1)c1ccc(Br)cc1Cl ZINC000819250824 660251958 /nfs/dbraw/zinc/25/19/58/660251958.db2.gz HYZQENZUBKHQOA-INIZCTEOSA-N 1 0 391.737 2.622 20 0 GFADRO COCC(C)(C)[NH+]1CCN(Cn2nc(Cc3cccs3)oc2=S)CC1 ZINC000819895902 660272836 /nfs/dbraw/zinc/27/28/36/660272836.db2.gz UORQATASTWVVMG-UHFFFAOYSA-N 1 0 382.555 2.858 20 0 GFADRO C[N@@H+]1CC[C@]2(CCN(C(=O)c3cnnn3-c3cccc(Cl)c3Cl)C2)C1 ZINC000820343009 660290080 /nfs/dbraw/zinc/29/00/80/660290080.db2.gz QGAMXGTVPCCFBS-KRWDZBQOSA-N 1 0 380.279 2.742 20 0 GFADRO Cc1oc(Br)cc1C(=O)O[C@@H]1CCCN(c2cc[nH+]c(N)n2)C1 ZINC000820894561 660309621 /nfs/dbraw/zinc/30/96/21/660309621.db2.gz BXRNEIQRXLCTOC-SNVBAGLBSA-N 1 0 381.230 2.549 20 0 GFADRO CCn1ncc(C(=O)N(CC[NH+](C)C)Cc2cccc(O)c2)c1Br ZINC000821065510 660314571 /nfs/dbraw/zinc/31/45/71/660314571.db2.gz ONLCRUJNGNHWNL-UHFFFAOYSA-N 1 0 395.301 2.575 20 0 GFADRO O=C(C/C=C/c1ccc(Br)cc1)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000821056935 660314382 /nfs/dbraw/zinc/31/43/82/660314382.db2.gz GKAUQLZAACOUQH-XMUUHYKESA-N 1 0 381.314 2.815 20 0 GFADRO CCn1ncc(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)c1Br ZINC000821366317 660323191 /nfs/dbraw/zinc/32/31/91/660323191.db2.gz ULSMOJBRTYLAOE-CABCVRRESA-N 1 0 377.286 2.841 20 0 GFADRO Cc1ccc([C@@H](CNC(=O)Nc2cc(Br)nn2C)[NH+](C)C)cc1 ZINC000821471329 660327069 /nfs/dbraw/zinc/32/70/69/660327069.db2.gz FRLKCEUSXJHIPS-CYBMUJFWSA-N 1 0 380.290 2.915 20 0 GFADRO C[C@H](CNC(=O)c1csc(I)n1)[N@@H+]1CCCC[C@H]1C ZINC000821986688 660337639 /nfs/dbraw/zinc/33/76/39/660337639.db2.gz WDZLQPIFBYZNBE-NXEZZACHSA-N 1 0 393.294 2.740 20 0 GFADRO CS[C@H]1CN(C(=O)c2csc(Br)n2)C[C@H]1[NH+]1CCCC1 ZINC000821893330 660336522 /nfs/dbraw/zinc/33/65/22/660336522.db2.gz FZMXHNDZMJDLIQ-MNOVXSKESA-N 1 0 376.345 2.557 20 0 GFADRO O=C(NCC1CC[NH+](C2CCOCC2)CC1)Nc1ccc(Br)nc1 ZINC000821958304 660337241 /nfs/dbraw/zinc/33/72/41/660337241.db2.gz MWNXXVHRTCUIEB-UHFFFAOYSA-N 1 0 397.317 2.857 20 0 GFADRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C[C@H]2C(=O)Nc3ccc(Br)cc32)C1 ZINC000822150431 660340962 /nfs/dbraw/zinc/34/09/62/660340962.db2.gz FVFWFHFLMDXUFR-DZGCQCFKSA-N 1 0 394.313 2.816 20 0 GFADRO CCn1ncc(C(=O)NCc2ccc(CC[NH+](C)C)cc2)c1Br ZINC000822324677 660342948 /nfs/dbraw/zinc/34/29/48/660342948.db2.gz IKXNBXGWQMMJHL-UHFFFAOYSA-N 1 0 379.302 2.700 20 0 GFADRO Cc1cc(-c2noc(-c3cn([C@@H]4CCC[NH2+]C4)nn3)n2)ccc1Br ZINC000822659639 660350986 /nfs/dbraw/zinc/35/09/86/660350986.db2.gz RGKXIWWZUISOOZ-GFCCVEGCSA-N 1 0 389.257 2.991 20 0 GFADRO COc1cc(OCC[NH+](C)C)ccc1NC(=O)c1c(C)[nH]nc1Br ZINC000822658278 660351063 /nfs/dbraw/zinc/35/10/63/660351063.db2.gz UUYZBTIDNAFMMX-UHFFFAOYSA-N 1 0 397.273 2.682 20 0 GFADRO Fc1ccc(Br)cc1C[NH2+]CCOc1ccc(-c2nn[nH]n2)cc1 ZINC000822762168 660353782 /nfs/dbraw/zinc/35/37/82/660353782.db2.gz YYAOXLKBJVBHTP-UHFFFAOYSA-N 1 0 392.232 2.937 20 0 GFADRO COc1cc(NC(=O)c2c(C)[nH]nc2Br)ccc1OCC[NH+](C)C ZINC000822953134 660358799 /nfs/dbraw/zinc/35/87/99/660358799.db2.gz RZTXYUDMPOEPJI-UHFFFAOYSA-N 1 0 397.273 2.682 20 0 GFADRO Fc1cccc(Cc2noc([C@@H]3C[C@H]4C[C@H]4[NH2+]3)n2)c1I ZINC000822981188 660359348 /nfs/dbraw/zinc/35/93/48/660359348.db2.gz YFOTXTTYUSSIGK-IEBDPFPHSA-N 1 0 385.180 2.827 20 0 GFADRO CC[N@H+](Cc1ccc(S(=O)(=O)N(C)C)s1)[C@@H](C)[C@H](O)c1ccccc1 ZINC000823163335 660363528 /nfs/dbraw/zinc/36/35/28/660363528.db2.gz HPVGBMSKFAFISF-KSSFIOAISA-N 1 0 382.551 2.942 20 0 GFADRO Brc1cccc(-c2nc(-c3noc([C@@H]4CCC[NH2+]C4)n3)n[nH]2)c1 ZINC000823186151 660364334 /nfs/dbraw/zinc/36/43/34/660364334.db2.gz XUOBSUTZYSFESW-SNVBAGLBSA-N 1 0 375.230 2.751 20 0 GFADRO COCC1(c2nc(Cc3ccc(Br)c(C)c3)no2)CC[NH2+]CC1 ZINC000823230862 660365663 /nfs/dbraw/zinc/36/56/63/660365663.db2.gz PDBUZOYALDNXRK-UHFFFAOYSA-N 1 0 380.286 2.999 20 0 GFADRO C[NH2+]CCc1nc(-c2cc(SC)ccc2I)no1 ZINC000823290482 660367526 /nfs/dbraw/zinc/36/75/26/660367526.db2.gz HQGWORNSTDZOMO-UHFFFAOYSA-N 1 0 375.235 2.825 20 0 GFADRO Cc1c(Br)nccc1NC(=O)N[C@@H](C)CN(C)CCC[NH+](C)C ZINC000823565108 660374942 /nfs/dbraw/zinc/37/49/42/660374942.db2.gz LVZMUPVAVTVGEB-LBPRGKRZSA-N 1 0 386.338 2.546 20 0 GFADRO C[NH+](C)CCn1c(=O)[nH]c2ccc(C(=O)NC[C@]3(C)CC3(Cl)Cl)cc21 ZINC000823350903 660369414 /nfs/dbraw/zinc/36/94/14/660369414.db2.gz AXVILLRGGDVELK-INIZCTEOSA-N 1 0 385.295 2.617 20 0 GFADRO O=S(=O)(CC[NH2+][C@@H]1CCc2c1ccc(F)c2Br)CC1CC1 ZINC000824017693 660383928 /nfs/dbraw/zinc/38/39/28/660383928.db2.gz HQANKGXOYUWJQJ-CQSZACIVSA-N 1 0 376.291 2.990 20 0 GFADRO CC[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(C(F)(F)Br)nc2)C1 ZINC000824640051 660398470 /nfs/dbraw/zinc/39/84/70/660398470.db2.gz YMWNFWLJIBEKIK-NSHDSACASA-N 1 0 376.245 2.988 20 0 GFADRO Cc1nc(SCC(C)C)sc1CC(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000824734572 660400181 /nfs/dbraw/zinc/40/01/81/660400181.db2.gz ZQLDTWMPMHGOAN-LSDHHAIUSA-N 1 0 383.583 2.722 20 0 GFADRO CCOC(=O)C(F)(F)[C@H]1CC[C@H]([NH2+]Cc2nn(C)cc2Br)C1 ZINC000824780533 660401793 /nfs/dbraw/zinc/40/17/93/660401793.db2.gz SBXGRQATHZZTGL-UWVGGRQHSA-N 1 0 380.233 2.639 20 0 GFADRO CCN(C(=O)c1cc(Br)c2nccnc2c1)[C@H]1CC[N@H+](CC)C1 ZINC000825018368 660407571 /nfs/dbraw/zinc/40/75/71/660407571.db2.gz MLUQJFRPCBOHQE-ZDUSSCGKSA-N 1 0 377.286 2.949 20 0 GFADRO O[C@@H](C[NH2+]Cc1cnc(N2CCCC2)nc1)c1ccccc1Br ZINC000825337208 660421450 /nfs/dbraw/zinc/42/14/50/660421450.db2.gz DZDNYPXSWFNEBF-INIZCTEOSA-N 1 0 377.286 2.663 20 0 GFADRO O=S(=O)(c1ccc(OCC[NH2+][C@H]2CO[C@@H](C3CC3)C2)cc1)C(F)(F)F ZINC000825380023 660423925 /nfs/dbraw/zinc/42/39/25/660423925.db2.gz WDEZJNBBPOWIPU-IUODEOHRSA-N 1 0 379.400 2.516 20 0 GFADRO COCCC[NH+]1CCC(Nc2ccc(Br)cc2-c2nn[nH]n2)CC1 ZINC000826156164 660451106 /nfs/dbraw/zinc/45/11/06/660451106.db2.gz RUAGBBFWROCCIZ-UHFFFAOYSA-N 1 0 395.305 2.542 20 0 GFADRO CC(C)NC(=O)CC[N@@H+]1CC[C@@]2(C)[C@@H](C1)C2(Br)Br ZINC000852335648 661860945 /nfs/dbraw/zinc/86/09/45/661860945.db2.gz JMMKVUKVUHEDNN-PWSUYJOCSA-N 1 0 382.140 2.729 20 0 GFADRO Cc1cc(C[NH2+]CCNC(=O)c2ccc(Br)cn2)cc(Cl)n1 ZINC000826872553 660469200 /nfs/dbraw/zinc/46/92/00/660469200.db2.gz OKSXBENCKXTVOT-UHFFFAOYSA-N 1 0 383.677 2.721 20 0 GFADRO C[C@]12CCN(C(=O)CC[C@H]3CC[NH2+]C3)C[C@H]1C2(Br)Br ZINC000852901728 661876949 /nfs/dbraw/zinc/87/69/49/661876949.db2.gz PNSQXVSOXYXTED-LOWVWBTDSA-N 1 0 394.151 2.731 20 0 GFADRO C[C@]12CCN(C(=O)C=C3CC[NH2+]CC3)C[C@H]1C2(Br)Br ZINC000852901875 661876912 /nfs/dbraw/zinc/87/69/12/661876912.db2.gz UEPWINZBGQVFEE-YPMHNXCESA-N 1 0 392.135 2.651 20 0 GFADRO C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000827340043 660489950 /nfs/dbraw/zinc/48/99/50/660489950.db2.gz XGUKQBCICYSVTP-ZOWXZIJZSA-N 1 0 384.307 2.664 20 0 GFADRO CC(=O)c1cc(Br)ccc1OCC(=O)N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000827253388 660486226 /nfs/dbraw/zinc/48/62/26/660486226.db2.gz GYQMGVYPIZMCCQ-CJNGLKHVSA-N 1 0 395.297 2.583 20 0 GFADRO Cc1ccc(I)cc1C(=O)N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000827302296 660488092 /nfs/dbraw/zinc/48/80/92/660488092.db2.gz UVNNVFARCMQKIV-DOMZBBRYSA-N 1 0 384.261 2.766 20 0 GFADRO Cc1ccc(Br)c(C)c1C(=O)N1CCC([NH+]2CCN(C)CC2)CC1 ZINC000827435597 660495090 /nfs/dbraw/zinc/49/50/90/660495090.db2.gz OTZQGZZJCQNDAV-UHFFFAOYSA-N 1 0 394.357 2.918 20 0 GFADRO Cc1c(Br)cncc1C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000827494954 660499581 /nfs/dbraw/zinc/49/95/81/660499581.db2.gz QUOXQCBOKARJNI-CQSZACIVSA-N 1 0 382.302 2.526 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC000827501536 660499845 /nfs/dbraw/zinc/49/98/45/660499845.db2.gz VSVAYIOMBZFFRU-VDNDLQMASA-N 1 0 387.307 2.737 20 0 GFADRO C[NH+](C)CCC[C@H]1CN(Cc2nc3ccccn3c2Br)CCO1 ZINC000827856787 660520142 /nfs/dbraw/zinc/52/01/42/660520142.db2.gz RTFILMZZSGVLIJ-AWEZNQCLSA-N 1 0 381.318 2.639 20 0 GFADRO C[NH+]1CCC(CNC(=O)c2ncc(Br)cn2)(c2ccccc2)CC1 ZINC000827953926 660524441 /nfs/dbraw/zinc/52/44/41/660524441.db2.gz AGMPUTZJYFAKQW-UHFFFAOYSA-N 1 0 389.297 2.633 20 0 GFADRO Cc1[nH]nc(Br)c1C(=O)NCC1(c2ccccc2)CC[NH+](C)CC1 ZINC000827961321 660524513 /nfs/dbraw/zinc/52/45/13/660524513.db2.gz MDWFABRLOYJAEV-UHFFFAOYSA-N 1 0 391.313 2.874 20 0 GFADRO CO[C@H](C)c1noc(CN2CCC[N@H+](C[C@@]3(C)CC3(Cl)Cl)CC2)n1 ZINC000828005979 660526098 /nfs/dbraw/zinc/52/60/98/660526098.db2.gz DTOPIQWDZSPQIL-IUODEOHRSA-N 1 0 377.316 2.869 20 0 GFADRO CCC[N@H+](C)CC(=O)Nc1cc(-c2ccc(I)cc2)[nH]n1 ZINC000610157769 651647898 /nfs/dbraw/zinc/64/78/98/651647898.db2.gz KQAPWFSLFKPROA-UHFFFAOYSA-N 1 0 398.248 2.962 20 0 GFADRO CC[NH+]1CCN(c2cccc(NC(=O)c3cc(Br)n(C)n3)c2)CC1 ZINC000828756079 660568673 /nfs/dbraw/zinc/56/86/73/660568673.db2.gz UGCMXELKLFLLSD-UHFFFAOYSA-N 1 0 392.301 2.577 20 0 GFADRO CN(CC[NH+]1CC2(C1)CCOCC2)C(=O)Cc1ccc(Br)cc1F ZINC000829221073 660585521 /nfs/dbraw/zinc/58/55/21/660585521.db2.gz FRPSVLUXPNKWDZ-UHFFFAOYSA-N 1 0 399.304 2.702 20 0 GFADRO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)C[C@H]1C(=O)Nc2c1cccc2Br ZINC000829569533 660601081 /nfs/dbraw/zinc/60/10/81/660601081.db2.gz FPZXNLRQUGTQAQ-OUCADQQQSA-N 1 0 392.297 2.570 20 0 GFADRO CC(C)n1ncc(C(=O)OCCC[NH+]2CCCC2)c1I ZINC000869979411 662670300 /nfs/dbraw/zinc/67/03/00/662670300.db2.gz QTLGWKOUZIVKHX-UHFFFAOYSA-N 1 0 391.253 2.711 20 0 GFADRO C[C@H]1CC[C@@H](NC(=O)Nc2ccn(-c3ccc(Br)cc3)n2)C[NH2+]1 ZINC000625890513 652375146 /nfs/dbraw/zinc/37/51/46/652375146.db2.gz KZPIBAPHJWUYDK-WCQYABFASA-N 1 0 378.274 2.897 20 0 GFADRO C[NH+](C)CCn1nccc1NS(=O)(=O)/C=C\c1ccccc1Br ZINC000829957305 660625650 /nfs/dbraw/zinc/62/56/50/660625650.db2.gz FKWSODPAOKYBDU-WQLSENKSSA-N 1 0 399.314 2.620 20 0 GFADRO CC[NH+]1CCC(CNS(=O)(=O)c2cnc(Cl)c(Br)c2)CC1 ZINC000830176191 660640232 /nfs/dbraw/zinc/64/02/32/660640232.db2.gz AYJRHWIIVKOZIO-UHFFFAOYSA-N 1 0 396.738 2.508 20 0 GFADRO C[C@H](CNS(=O)(=O)Cc1ccc(Br)c(F)c1)[NH+]1CCCCC1 ZINC000830134142 660637247 /nfs/dbraw/zinc/63/72/47/660637247.db2.gz HWCVVIKQDXJTOF-GFCCVEGCSA-N 1 0 393.322 2.882 20 0 GFADRO CN(C)C(=O)O[C@@H]1CC[N@H+](C[C@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000830488545 660659196 /nfs/dbraw/zinc/65/91/96/660659196.db2.gz XIPIHKXVJZSXQF-QWHCGFSZSA-N 1 0 377.268 2.506 20 0 GFADRO C[N@H+](CCOc1ccc(F)cc1Cl)C[C@H](O)CNC(=O)OC(C)(C)C ZINC000830456611 660657631 /nfs/dbraw/zinc/65/76/31/660657631.db2.gz LXJYJDKXKFQLIZ-CYBMUJFWSA-N 1 0 376.856 2.675 20 0 GFADRO O=C(NCC[C@@H]1CC[C@@H](C(F)(F)F)O1)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000830452714 660657713 /nfs/dbraw/zinc/65/77/13/660657713.db2.gz SIKMCOXGRLMPEY-ILXRZTDVSA-N 1 0 380.476 2.820 20 0 GFADRO CN(C)C(=O)O[C@H]1CCC[N@H+](C[C@@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000830568391 660664674 /nfs/dbraw/zinc/66/46/74/660664674.db2.gz HTYHLCQWWJEGHA-KGLIPLIRSA-N 1 0 391.295 2.896 20 0 GFADRO O=C(NCCCC[N@H+]1CCC[C@@H]1CO)c1c(Cl)nc2cc(Cl)ccn21 ZINC000830588080 660665716 /nfs/dbraw/zinc/66/57/16/660665716.db2.gz GMJVSPDGLPLTPZ-CYBMUJFWSA-N 1 0 385.295 2.608 20 0 GFADRO [NH3+]CCCCCCNC(=O)N[C@@H]1CCN(c2ccccc2Br)C1 ZINC000831127092 660697869 /nfs/dbraw/zinc/69/78/69/660697869.db2.gz BBLQYUSZCSLQNS-CQSZACIVSA-N 1 0 383.334 2.846 20 0 GFADRO CCO[C@@H](CNC(=O)c1cc2c(cncc2Br)s1)C[NH+](C)C ZINC000831708099 660720910 /nfs/dbraw/zinc/72/09/10/660720910.db2.gz PHUKXEFHOREHKC-JTQLQIEISA-N 1 0 386.315 2.755 20 0 GFADRO CCO[C@H](CNC(=O)c1cc(Cl)cc(F)c1Br)C[NH+](C)C ZINC000831720085 660722203 /nfs/dbraw/zinc/72/22/03/660722203.db2.gz XDWCXJATBRJOGX-SNVBAGLBSA-N 1 0 381.673 2.938 20 0 GFADRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)c1cc(Cl)nc(C(F)(F)F)c1 ZINC000832633137 660790773 /nfs/dbraw/zinc/79/07/73/660790773.db2.gz BFCOKCFVBMUKSC-JTQLQIEISA-N 1 0 379.810 2.671 20 0 GFADRO C[C@@H](Sc1nc2ccccc2s1)C(=O)NC[C@@H]1CCCC[N@@H+]1CCO ZINC000833559764 660808535 /nfs/dbraw/zinc/80/85/35/660808535.db2.gz WOLRRFFGTVLCGP-KGLIPLIRSA-N 1 0 379.551 2.740 20 0 GFADRO C[NH+](C)[C@@H]1CCCN(C(=O)c2cccc(S(=O)(=O)C(F)(F)F)c2)CC1 ZINC000834435954 660819860 /nfs/dbraw/zinc/81/98/60/660819860.db2.gz NDCFLISQJMGJQM-CYBMUJFWSA-N 1 0 378.416 2.536 20 0 GFADRO Cn1nc(-c2nc(-c3ccc(OCC[NH+](C)C)cc3)no2)cc1Br ZINC000834531388 660823616 /nfs/dbraw/zinc/82/36/16/660823616.db2.gz YJTKNOPBAFWHRP-UHFFFAOYSA-N 1 0 392.257 2.840 20 0 GFADRO [NH3+]C[C@H]1CC[C@H](CNC(=O)c2cn(-c3ccccc3Br)nn2)CC1 ZINC000834778019 660832913 /nfs/dbraw/zinc/83/29/13/660832913.db2.gz LRWUCZGYMJDAEJ-JOCQHMNTSA-N 1 0 392.301 2.525 20 0 GFADRO C[N@H+](CCCCNC(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1)C1CC1 ZINC000836219365 660895685 /nfs/dbraw/zinc/89/56/85/660895685.db2.gz DXJILKRKWFBAFW-UHFFFAOYSA-N 1 0 375.441 2.679 20 0 GFADRO C[N@H+](CCNC(=O)NC[C@H](O)c1ccccc1Br)C1CCCC1 ZINC000836285050 660898233 /nfs/dbraw/zinc/89/82/33/660898233.db2.gz RMGWDWMYNCWLKQ-INIZCTEOSA-N 1 0 384.318 2.656 20 0 GFADRO C[C@@H](CNC(=O)Nc1cnc(Br)c(Br)c1)[NH+](C)C ZINC000836455057 660907273 /nfs/dbraw/zinc/90/72/73/660907273.db2.gz VEGLQIBKNHVYNN-ZETCQYMHSA-N 1 0 380.084 2.678 20 0 GFADRO CN(C)CC[N@H+](C)CCCNC(=O)Nc1cnc(Cl)c(Br)c1 ZINC000836512713 660912030 /nfs/dbraw/zinc/91/20/30/660912030.db2.gz QXGTVNPQCYWQBQ-UHFFFAOYSA-N 1 0 392.729 2.503 20 0 GFADRO CC[NH+](CC)CCN(CCOC)C(=O)Nc1ccnc(Br)c1C ZINC000836674845 660924766 /nfs/dbraw/zinc/92/47/66/660924766.db2.gz FWDBLNFTGZHKJK-UHFFFAOYSA-N 1 0 387.322 2.975 20 0 GFADRO C[N@H+](CCCCNC(=O)NC[C@H](O)c1ccccc1Br)C1CC1 ZINC000836686829 660929793 /nfs/dbraw/zinc/92/97/93/660929793.db2.gz KKDYFAMITZTQHE-INIZCTEOSA-N 1 0 384.318 2.656 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)C[N@H+]1CCC[C@H](C)C1 ZINC000007340599 654469201 /nfs/dbraw/zinc/46/92/01/654469201.db2.gz ISMULCPTFTVARU-ZDUSSCGKSA-N 1 0 396.329 2.886 20 0 GFADRO C[C@@H](Oc1ccc(Br)cc1)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000008122110 654479408 /nfs/dbraw/zinc/47/94/08/654479408.db2.gz HEBXTWQEWQNGLX-CQSZACIVSA-N 1 0 390.281 2.960 20 0 GFADRO O=S(=O)(NCC1CC[NH+](Cc2ccncc2)CC1)c1cccc(Cl)c1 ZINC000023000139 654535675 /nfs/dbraw/zinc/53/56/75/654535675.db2.gz TYNAADJPGOLPEV-UHFFFAOYSA-N 1 0 379.913 2.926 20 0 GFADRO CC[C@@H]1CCCC[N@@H+]1CC(=O)NCC(=O)Nc1ccccc1Br ZINC000023694909 654540000 /nfs/dbraw/zinc/54/00/00/654540000.db2.gz AGHRGQVJIMNADD-CYBMUJFWSA-N 1 0 382.302 2.768 20 0 GFADRO CC(C)C[N@H+](CC(=O)NCC(=O)Nc1ccccc1Br)C1CC1 ZINC000027110486 654562406 /nfs/dbraw/zinc/56/24/06/654562406.db2.gz WQFQAPDEZYVUPE-UHFFFAOYSA-N 1 0 382.302 2.624 20 0 GFADRO C[C@@H](NC(=O)c1ccc(Br)cc1)C(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000027743445 654565439 /nfs/dbraw/zinc/56/54/39/654565439.db2.gz UONVKOJGSUZXKA-UONOGXRCSA-N 1 0 396.329 2.558 20 0 GFADRO COc1c(Br)cc(Cl)cc1S(=O)(=O)NCCC[NH2+]C1CC1 ZINC000036267435 654612105 /nfs/dbraw/zinc/61/21/05/654612105.db2.gz VZUSSLCMFYIXQM-UHFFFAOYSA-N 1 0 397.722 2.532 20 0 GFADRO O=S(=O)(c1ccc(Br)s1)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037917513 654616336 /nfs/dbraw/zinc/61/63/36/654616336.db2.gz CYWIJCRWBJUUGE-QWRGUYRKSA-N 1 0 379.345 2.663 20 0 GFADRO Cc1csc([C@@](O)(CC(=O)NC(C)(C)C[NH+]2CCCC2)C(F)(F)F)n1 ZINC000837172768 660975425 /nfs/dbraw/zinc/97/54/25/660975425.db2.gz RFWNYPDBGIOLMM-HNNXBMFYSA-N 1 0 379.448 2.582 20 0 GFADRO C[NH+]1CCN(CCNC(=O)C2(c3ccc(Br)cc3)CCCC2)CC1 ZINC000042689328 654642263 /nfs/dbraw/zinc/64/22/63/654642263.db2.gz DWRYBGLNCAFOKX-UHFFFAOYSA-N 1 0 394.357 2.625 20 0 GFADRO CC(C)[NH+]1CCN(C(=O)Cc2csc(NC(=O)c3cccs3)n2)CC1 ZINC000045428896 654668301 /nfs/dbraw/zinc/66/83/01/654668301.db2.gz GYSCRQUCEHLGPJ-UHFFFAOYSA-N 1 0 378.523 2.552 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1CCNC(=O)CCN1C(=S)N=NC1c1cccs1 ZINC000047144943 654690789 /nfs/dbraw/zinc/69/07/89/654690789.db2.gz MYWSKFFZJXDCKJ-CYBMUJFWSA-N 1 0 379.555 2.676 20 0 GFADRO C[NH+]1CCN(c2ccc(NC(=O)c3ccc(Br)cc3F)nc2)CC1 ZINC000047553032 654697233 /nfs/dbraw/zinc/69/72/33/654697233.db2.gz CHYDYEGEOCHVHS-UHFFFAOYSA-N 1 0 393.260 2.987 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)CSc1nncn1-c1cccc(Cl)c1 ZINC000047615674 654697724 /nfs/dbraw/zinc/69/77/24/654697724.db2.gz DFURJCBAZCQPHY-OAHLLOKOSA-N 1 0 379.917 2.613 20 0 GFADRO C[NH+](C)CC(C)(C)CNC(=O)CSc1nncn1-c1cccc(Cl)c1 ZINC000047615688 654697818 /nfs/dbraw/zinc/69/78/18/654697818.db2.gz FJKAVBCBCTVIDF-UHFFFAOYSA-N 1 0 381.933 2.717 20 0 GFADRO O=C(/C=C\c1ccc(Br)o1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000048480896 654707769 /nfs/dbraw/zinc/70/77/69/654707769.db2.gz SKUFWZMUFUISPW-RQOWECAXSA-N 1 0 383.286 2.626 20 0 GFADRO CC1CC[NH+](CCCNC(=O)NC[C@H](O)c2ccccc2Br)CC1 ZINC000837389118 660992169 /nfs/dbraw/zinc/99/21/69/660992169.db2.gz GVUPKKXAWAPRPJ-KRWDZBQOSA-N 1 0 398.345 2.904 20 0 GFADRO COCCC[N@H+](C)CCNC(=O)N[C@@H](C)Cc1ccccc1Br ZINC000121968444 654726265 /nfs/dbraw/zinc/72/62/65/654726265.db2.gz NTKZPBRCLHRSSU-AWEZNQCLSA-N 1 0 386.334 2.648 20 0 GFADRO CS(=O)(=O)Cc1nc(CN2CCC(CCC[NH+]3CCCC3)CC2)cs1 ZINC000122012269 654728167 /nfs/dbraw/zinc/72/81/67/654728167.db2.gz BEENMQDNJUSCAC-UHFFFAOYSA-N 1 0 385.599 2.776 20 0 GFADRO O=C(NC[C@@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1)[C@H]1CCC[NH2+]1 ZINC000122025773 654728616 /nfs/dbraw/zinc/72/86/16/654728616.db2.gz ZFMQGKRBMCXNHB-BLLLJJGKSA-N 1 0 384.307 2.714 20 0 GFADRO CC(C)c1nn(-c2ccc(Br)cc2)cc1C[NH2+]CC(=O)N(C)C ZINC000122957606 654748281 /nfs/dbraw/zinc/74/82/81/654748281.db2.gz DJGZDIPGMUDODD-UHFFFAOYSA-N 1 0 379.302 2.936 20 0 GFADRO CC[NH+]1CCC(NC(=O)Nc2cc3c(cc2Br)OCCO3)CC1 ZINC000053975470 654754782 /nfs/dbraw/zinc/75/47/82/654754782.db2.gz ACQLSERJSYCPTA-UHFFFAOYSA-N 1 0 384.274 2.826 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+][C@H](C)CN1CCOCC1 ZINC000123282097 654754890 /nfs/dbraw/zinc/75/48/90/654754890.db2.gz QQZWQHHYBVNVLY-CQSZACIVSA-N 1 0 393.329 2.754 20 0 GFADRO COC(=O)c1ccc(S(=O)(=O)NC[C@@H]([NH3+])c2ccc(C(C)C)cc2)s1 ZINC000123753237 654762440 /nfs/dbraw/zinc/76/24/40/654762440.db2.gz HYWMOJYYBDUOLE-CQSZACIVSA-N 1 0 382.507 2.636 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCN(c2cc(Cl)ccc2Cl)C1=O ZINC000123933875 654766251 /nfs/dbraw/zinc/76/62/51/654766251.db2.gz BMXQAEYOYWRCFX-KBPBESRZSA-N 1 0 384.307 2.947 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000123959563 654767203 /nfs/dbraw/zinc/76/72/03/654767203.db2.gz WKSMNGYWBNIIPZ-CQSZACIVSA-N 1 0 396.329 2.995 20 0 GFADRO C[C@H]1CCC[N@H+](CCNC(=O)N(C)C[C@@H](O)c2ccccc2Br)C1 ZINC000837518912 661002893 /nfs/dbraw/zinc/00/28/93/661002893.db2.gz GUEKFVDIPZODKF-WMLDXEAASA-N 1 0 398.345 2.856 20 0 GFADRO Cc1cc(Br)oc1C(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000124005032 654768567 /nfs/dbraw/zinc/76/85/67/654768567.db2.gz ZIPSIGZBCAVVIV-UHFFFAOYSA-N 1 0 382.258 2.616 20 0 GFADRO CCOC[C@H]1CCC[N@H+](Cn2nc(Br)c(=O)c3ccccc32)C1 ZINC000124160630 654771709 /nfs/dbraw/zinc/77/17/09/654771709.db2.gz PRAZCVBDERCPOY-ZDUSSCGKSA-N 1 0 380.286 2.865 20 0 GFADRO COc1cc(C)c(Br)cc1S(=O)(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000124548917 654778078 /nfs/dbraw/zinc/77/80/78/654778078.db2.gz YSTBQUSOZICVJO-DGCLKSJQSA-N 1 0 391.331 2.562 20 0 GFADRO Cn1c(Cl)nc(Cl)c1CNc1ccc2oc(=O)n(CC[NH+](C)C)c2c1 ZINC000124675128 654780105 /nfs/dbraw/zinc/78/01/05/654780105.db2.gz NPGAILPEJVMKDC-UHFFFAOYSA-N 1 0 384.267 2.809 20 0 GFADRO C[C@H]1C[C@H](N(C)C(=O)CCNC(=O)c2ccc(Br)cc2)CC[N@@H+]1C ZINC000124780702 654781218 /nfs/dbraw/zinc/78/12/18/654781218.db2.gz AWWPXGKSZXLTDO-XJKSGUPXSA-N 1 0 396.329 2.510 20 0 GFADRO C[NH+](C)CCCNC(=O)N1CCc2[nH]c3c(cccc3Br)c2C1 ZINC000056541421 654796856 /nfs/dbraw/zinc/79/68/56/654796856.db2.gz CPWFABRXRULVSR-UHFFFAOYSA-N 1 0 379.302 2.950 20 0 GFADRO CC[NH+]1CCC(NC(=O)CSc2nnc(-c3sc(C)nc3C)o2)CC1 ZINC000125549665 654797493 /nfs/dbraw/zinc/79/74/93/654797493.db2.gz QHEIMFJQKHBMHF-UHFFFAOYSA-N 1 0 381.527 2.503 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)CN1C(=O)CSc2ccccc21)c1cccs1 ZINC000057704462 654808501 /nfs/dbraw/zinc/80/85/01/654808501.db2.gz MEMDECDXSSSLCE-AWEZNQCLSA-N 1 0 375.519 2.606 20 0 GFADRO Cc1ccc(S(=O)(=O)N2CCC([NH2+]Cc3ccc(Cl)cn3)CC2)cc1 ZINC000126151999 654809279 /nfs/dbraw/zinc/80/92/79/654809279.db2.gz MWOKQDYVEYYQQT-UHFFFAOYSA-N 1 0 379.913 2.986 20 0 GFADRO C[C@@H](C(=O)NC[C@H](O)C[NH+]1CCC(C)CC1)c1ccc(Br)cc1 ZINC000126607845 654816229 /nfs/dbraw/zinc/81/62/29/654816229.db2.gz JWWJKINZPCZWIU-PBHICJAKSA-N 1 0 383.330 2.762 20 0 GFADRO C[C@H](CNC(=O)N(C)C[C@@H](O)c1ccccc1Br)C[NH+]1CCCC1 ZINC000837715854 661013209 /nfs/dbraw/zinc/01/32/09/661013209.db2.gz QPYPTJBWWXFYBM-RHSMWYFYSA-N 1 0 398.345 2.856 20 0 GFADRO CCOc1c(Br)cc(C[NH2+]C[C@H]2CCCS2(=O)=O)cc1OC ZINC000126797345 654820889 /nfs/dbraw/zinc/82/08/89/654820889.db2.gz WTOIIIWPOVCMHD-GFCCVEGCSA-N 1 0 392.315 2.523 20 0 GFADRO C[C@@H](CCS(C)(=O)=O)[NH2+][C@@H](C)c1ccc(I)cc1 ZINC000127402522 654828854 /nfs/dbraw/zinc/82/88/54/654828854.db2.gz RQQSHMCQYLBTNO-QWRGUYRKSA-N 1 0 381.279 2.765 20 0 GFADRO CC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2cc(C)ccc2Br)C1 ZINC000127936933 654837929 /nfs/dbraw/zinc/83/79/29/654837929.db2.gz UOIFAVSSJXPTLZ-ZDUSSCGKSA-N 1 0 375.332 2.720 20 0 GFADRO CCC[NH+]1CCC(NC(=O)/C=C/c2ccc(I)o2)CC1 ZINC000061509818 654840087 /nfs/dbraw/zinc/84/00/87/654840087.db2.gz CKQYZSAKIBRSQJ-GQCTYLIASA-N 1 0 388.249 2.888 20 0 GFADRO C[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2cccc(Cl)c2SC(F)F)C1 ZINC000128289671 654843798 /nfs/dbraw/zinc/84/37/98/654843798.db2.gz BVFYGPGFIYLUKU-VIFPVBQESA-N 1 0 377.844 2.661 20 0 GFADRO C[C@H](CNC(=O)C(=O)Nc1cccc(Br)c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000062120937 654843836 /nfs/dbraw/zinc/84/38/36/654843836.db2.gz CQOZUCAMYUHYHU-CHWSQXEVSA-N 1 0 382.302 2.624 20 0 GFADRO CS(=O)(=O)CC[NH2+]Cc1cn(Cc2ccccc2)nc1-c1cccs1 ZINC000062423133 654845621 /nfs/dbraw/zinc/84/56/21/654845621.db2.gz GXYQHOZXIWNPMG-UHFFFAOYSA-N 1 0 375.519 2.794 20 0 GFADRO C[C@H]1C[NH+](CCCNC(=O)c2cc(F)c(F)cc2Br)C[C@H](C)O1 ZINC000128638179 654849334 /nfs/dbraw/zinc/84/93/34/654849334.db2.gz GDXLBOJXDFDNOQ-QWRGUYRKSA-N 1 0 391.256 2.956 20 0 GFADRO Cc1ccc(Br)c(NC(=O)NC[C@@H](O)C[NH+]2CCC(C)CC2)c1 ZINC000129133704 654857971 /nfs/dbraw/zinc/85/79/71/654857971.db2.gz IMGTVVPXBGWUJS-CQSZACIVSA-N 1 0 384.318 2.972 20 0 GFADRO COCCn1cc(C[NH2+]C[C@H]2CCN(c3ccc(Br)cc3)C2)cn1 ZINC000266211353 654863334 /nfs/dbraw/zinc/86/33/34/654863334.db2.gz OFZYURHICGSPEU-OAHLLOKOSA-N 1 0 393.329 2.908 20 0 GFADRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc(I)c1)[C@H]1CCOC1 ZINC000266281685 654868878 /nfs/dbraw/zinc/86/88/78/654868878.db2.gz GPIVTYNXUXRNHH-WOPDTQHZSA-N 1 0 388.249 2.633 20 0 GFADRO CC[NH+](CC)CCSCC(=O)N(C)[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000266324892 654872000 /nfs/dbraw/zinc/87/20/00/654872000.db2.gz UUMDSLORGKJMAG-OAHLLOKOSA-N 1 0 386.583 2.685 20 0 GFADRO Cc1ccc(NC(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)cc1Br ZINC000266428288 654878706 /nfs/dbraw/zinc/87/87/06/654878706.db2.gz XEMNVWDOSJPEOK-CYBMUJFWSA-N 1 0 383.334 2.763 20 0 GFADRO Cc1cc(N2CC[C@H]([NH2+][C@@H]3CCc4cc(Br)ccc43)C2=O)n(C)n1 ZINC000266513072 654882886 /nfs/dbraw/zinc/88/28/86/654882886.db2.gz XYOKLCCYHHTURS-CVEARBPZSA-N 1 0 389.297 2.873 20 0 GFADRO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NCCc1ccccc1Br ZINC000266554232 654884759 /nfs/dbraw/zinc/88/47/59/654884759.db2.gz MQVRDUWHJXOOJQ-QGZVFWFLSA-N 1 0 383.330 2.901 20 0 GFADRO C[C@H](CNC(=O)CCCc1ccccc1Br)C[NH+]1CCN(C)CC1 ZINC000130473809 654889589 /nfs/dbraw/zinc/88/95/89/654889589.db2.gz LZSDEQFPZBIQTR-MRXNPFEDSA-N 1 0 396.373 2.772 20 0 GFADRO CCC[NH+]1CCC(CNC(=O)NC[C@H](O)c2ccccc2Br)CC1 ZINC000838090812 661028031 /nfs/dbraw/zinc/02/80/31/661028031.db2.gz ROBXCHBPEMLKHV-KRWDZBQOSA-N 1 0 398.345 2.904 20 0 GFADRO Cc1ccc(Cl)cc1S(=O)(=O)N(C)C1CC[NH+](C2CCOCC2)CC1 ZINC000066103517 654894776 /nfs/dbraw/zinc/89/47/76/654894776.db2.gz LUESZXJCKBNDTB-UHFFFAOYSA-N 1 0 386.945 2.912 20 0 GFADRO CSC[C@@H]1CCCN1Cn1nc2n(c1=S)c1ccccc1c(=O)n2C ZINC000130990209 654895134 /nfs/dbraw/zinc/89/51/34/654895134.db2.gz PQCNYJTVMVMRHZ-LBPRGKRZSA-N 1 0 375.523 2.502 20 0 GFADRO COc1ccc(OC)c(C[NH2+]C[C@H](O)COc2ccccc2Br)c1 ZINC000130994416 654895442 /nfs/dbraw/zinc/89/54/42/654895442.db2.gz YATIFYMURVCKLP-AWEZNQCLSA-N 1 0 396.281 2.996 20 0 GFADRO C[C@H]([NH2+]C[C@@H](O)c1ccccc1Cl)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000266813239 654895338 /nfs/dbraw/zinc/89/53/38/654895338.db2.gz WTJIVUHXUMQVFW-SCLBCKFNSA-N 1 0 382.913 2.975 20 0 GFADRO O=C(Nc1ccc(I)cc1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000066157652 654896112 /nfs/dbraw/zinc/89/61/12/654896112.db2.gz JCGXAOPIYFJSDA-AWEZNQCLSA-N 1 0 385.249 2.993 20 0 GFADRO Cc1c(Br)cccc1CN1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000131212684 654898871 /nfs/dbraw/zinc/89/88/71/654898871.db2.gz UEUGHKGTRXCSGD-QGZVFWFLSA-N 1 0 380.330 2.672 20 0 GFADRO OCC1CC[NH+](C[C@H](O)COc2ccc(Cl)cc2Br)CC1 ZINC000066421705 654901166 /nfs/dbraw/zinc/90/11/66/654901166.db2.gz HHXXBLKKVQIQLI-ZDUSSCGKSA-N 1 0 378.694 2.547 20 0 GFADRO O=C(/C=C/c1ccc(Br)s1)NCCCC[N@H+]1CCC[C@@H]1CO ZINC000131390151 654905203 /nfs/dbraw/zinc/90/52/03/654905203.db2.gz SMCKISQHKYPWAP-STMXVASLSA-N 1 0 387.343 2.877 20 0 GFADRO O=C(Cc1ccc(Br)c(F)c1)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000131630091 654911707 /nfs/dbraw/zinc/91/17/07/654911707.db2.gz DXUQUTQKXDEZNV-HNNXBMFYSA-N 1 0 399.304 2.702 20 0 GFADRO O=C(NCC1([NH+]2CCCC2)CCOCC1)c1c(F)cccc1Br ZINC000267195565 654916532 /nfs/dbraw/zinc/91/65/32/654916532.db2.gz DARVDNOMZUGSGG-UHFFFAOYSA-N 1 0 385.277 2.963 20 0 GFADRO C[C@H](Sc1ccc(Br)cc1)C(=O)NCC1(O)CC[NH+](C)CC1 ZINC000267196296 654916553 /nfs/dbraw/zinc/91/65/53/654916553.db2.gz XLDHSRYYVLXSOT-LBPRGKRZSA-N 1 0 387.343 2.503 20 0 GFADRO CC[C@@H](Cc1ccccc1Br)C(=O)NCCCN1CC[NH+](C)CC1 ZINC000131868881 654919935 /nfs/dbraw/zinc/91/99/35/654919935.db2.gz DXYNRYLTICTBDV-INIZCTEOSA-N 1 0 396.373 2.772 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2ccc(NC(C)=O)c(Cl)c2)[C@H](C)C1 ZINC000267250592 654920278 /nfs/dbraw/zinc/92/02/78/654920278.db2.gz UVERWMRBVXBVSF-PXAZEXFGSA-N 1 0 387.933 2.649 20 0 GFADRO CNS(=O)(=O)Cc1ccc(C[NH2+][C@@H]2CSCCc3ccccc32)cc1 ZINC000131922755 654921772 /nfs/dbraw/zinc/92/17/72/654921772.db2.gz WWFZHDIYMAYOQQ-LJQANCHMSA-N 1 0 376.547 2.856 20 0 GFADRO O=C(NCc1ccccc1Br)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000131947669 654922835 /nfs/dbraw/zinc/92/28/35/654922835.db2.gz VOLLOLISLIWXSV-CQSZACIVSA-N 1 0 396.329 2.749 20 0 GFADRO O=C(NCc1ccc(Br)cc1)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000132235195 654930156 /nfs/dbraw/zinc/93/01/56/654930156.db2.gz HGRBTSDVWKUVNZ-HNNXBMFYSA-N 1 0 396.329 2.749 20 0 GFADRO Cc1c(Br)cccc1C(=O)NC[C@@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000132319944 654933646 /nfs/dbraw/zinc/93/36/46/654933646.db2.gz LHRYGEMHBSIJFA-KRWDZBQOSA-N 1 0 382.346 2.759 20 0 GFADRO Cn1cc(Br)cc(NC(=O)c2ccc(C[NH+]3CCCC3)cc2)c1=O ZINC000267618475 654938374 /nfs/dbraw/zinc/93/83/74/654938374.db2.gz YMACGUAFEKCQBA-UHFFFAOYSA-N 1 0 390.281 2.996 20 0 GFADRO O=C(Cc1cc(Br)ccc1F)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000132501544 654939443 /nfs/dbraw/zinc/93/94/43/654939443.db2.gz CSEYYUYGOJQWNS-AWEZNQCLSA-N 1 0 399.304 2.702 20 0 GFADRO NC(=O)C1(C[NH2+]Cc2nc(-c3cccc(Br)c3)c[nH]2)CCCC1 ZINC000267913539 654951827 /nfs/dbraw/zinc/95/18/27/654951827.db2.gz FWLBGMDHGVQSSA-UHFFFAOYSA-N 1 0 377.286 2.975 20 0 GFADRO CC[NH+]1CCN(CCCNC(=O)Cc2csc(-c3cccs3)n2)CC1 ZINC000068080620 654953798 /nfs/dbraw/zinc/95/37/98/654953798.db2.gz DAQCWZDXQAPMPX-UHFFFAOYSA-N 1 0 378.567 2.558 20 0 GFADRO COCC[N@@H+]1CCCN(C(=O)c2c(F)cc(Br)cc2F)CC1 ZINC000267951989 654953925 /nfs/dbraw/zinc/95/39/25/654953925.db2.gz GZVKVDRNNLEMBV-UHFFFAOYSA-N 1 0 377.229 2.522 20 0 GFADRO C[NH+](C)[C@@]1(CNC(=O)c2c(F)cc(Br)cc2F)CCSC1 ZINC000268045877 654957063 /nfs/dbraw/zinc/95/70/63/654957063.db2.gz RZINCEJEFIHRPJ-CQSZACIVSA-N 1 0 379.270 2.894 20 0 GFADRO CCC[N@@H+]1CC[C@H](CNC(=O)NCCOc2ccc(Br)cc2)C1 ZINC000068546771 654965441 /nfs/dbraw/zinc/96/54/41/654965441.db2.gz UCZGNIRDEBDFDI-CQSZACIVSA-N 1 0 384.318 2.859 20 0 GFADRO O=C(NCC[NH+]1CCCCC1)C(=O)Nc1ccc(Br)c(Cl)c1 ZINC000133683995 654970537 /nfs/dbraw/zinc/97/05/37/654970537.db2.gz CJADXLUWQALXQN-UHFFFAOYSA-N 1 0 388.693 2.643 20 0 GFADRO CC[NH+](CC)[C@H](C)CNC(=O)c1c(F)cccc1I ZINC000268511637 654975716 /nfs/dbraw/zinc/97/57/16/654975716.db2.gz RLFBIDNJSMKMAB-SNVBAGLBSA-N 1 0 378.229 2.890 20 0 GFADRO CN(C(=O)NC[C@H]1CSCCS1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000838511045 661048044 /nfs/dbraw/zinc/04/80/44/661048044.db2.gz OTYOQEILJUXDEN-ZDUSSCGKSA-N 1 0 385.521 2.893 20 0 GFADRO CC[C@@H](Cc1ccccc1Br)NC(=O)CCN1CC[NH+](CC)CC1 ZINC000268571803 654978367 /nfs/dbraw/zinc/97/83/67/654978367.db2.gz XZEMLLFVAOXARB-KRWDZBQOSA-N 1 0 396.373 2.914 20 0 GFADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)NC[C@H](O)c1ccccc1Br ZINC000838516723 661048482 /nfs/dbraw/zinc/04/84/82/661048482.db2.gz DIHCPEZVSCWMRC-BBRMVZONSA-N 1 0 384.318 2.656 20 0 GFADRO CC[C@H](C[NH+]1CCCC1)NC(=O)NC[C@H](O)c1ccccc1Br ZINC000838516724 661048507 /nfs/dbraw/zinc/04/85/07/661048507.db2.gz DIHCPEZVSCWMRC-CJNGLKHVSA-N 1 0 384.318 2.656 20 0 GFADRO CC[C@H](C[NH+]1CCCC1)NC(=O)N(C)C[C@H](O)c1ccccc1Br ZINC000838517277 661048510 /nfs/dbraw/zinc/04/85/10/661048510.db2.gz GMUDWPBJXWEKDC-PBHICJAKSA-N 1 0 398.345 2.998 20 0 GFADRO C[C@H]1CCCC[C@]1(C[NH3+])NS(=O)(=O)c1ccc(F)cc1Br ZINC000134037621 654981214 /nfs/dbraw/zinc/98/12/14/654981214.db2.gz UIHWXIWETIWAQN-IINYFYTJSA-N 1 0 379.295 2.774 20 0 GFADRO CN(C(=O)c1c[nH]c(=O)c(Br)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000268649273 654981337 /nfs/dbraw/zinc/98/13/37/654981337.db2.gz DCSNGMJZCHGHCF-HNNXBMFYSA-N 1 0 390.281 2.896 20 0 GFADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](C)Oc1ccc(C)cc1Br ZINC000069503650 654982192 /nfs/dbraw/zinc/98/21/92/654982192.db2.gz GPPVSERPKQDBIV-HUUCEWRRSA-N 1 0 399.329 2.752 20 0 GFADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)C1(c2ccc(Br)cc2)CC1 ZINC000069532069 654983127 /nfs/dbraw/zinc/98/31/27/654983127.db2.gz BRQITPAESNREQF-MRXNPFEDSA-N 1 0 381.314 2.708 20 0 GFADRO CC[NH+]1CCN(CCC(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)CC1 ZINC000134271585 654988935 /nfs/dbraw/zinc/98/89/35/654988935.db2.gz ANEXTZDIPOITCZ-UHFFFAOYSA-N 1 0 379.917 2.825 20 0 GFADRO COCCC[C@H]([NH2+]C[C@@H]1CN(C)CCN1C)c1ccc(Br)cc1 ZINC000268906637 654990595 /nfs/dbraw/zinc/99/05/95/654990595.db2.gz MACYHHOKMWWKGC-MSOLQXFVSA-N 1 0 384.362 2.752 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)C(=O)N1CCC[N@@H+](C(C)C)CC1 ZINC000069989023 654991267 /nfs/dbraw/zinc/99/12/67/654991267.db2.gz FAGHKRVLDZDZSA-UHFFFAOYSA-N 1 0 382.302 2.639 20 0 GFADRO O=C(NCc1cccc(Br)c1)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000268960853 654992889 /nfs/dbraw/zinc/99/28/89/654992889.db2.gz IOJUXLXZQBRKMA-IRXDYDNUSA-N 1 0 396.329 2.626 20 0 GFADRO Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+][C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000268999886 654994831 /nfs/dbraw/zinc/99/48/31/654994831.db2.gz LKJKHFOJUIPTBE-IUODEOHRSA-N 1 0 380.539 2.588 20 0 GFADRO O=C(NCc1ccc(Br)cc1)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000269014129 654995316 /nfs/dbraw/zinc/99/53/16/654995316.db2.gz MQPCZIBMICDYBW-IRXDYDNUSA-N 1 0 396.329 2.626 20 0 GFADRO CCOc1cc(Br)c(CC(=O)N2CC[C@@H]([NH2+]C)C2)cc1OCC ZINC000269141913 654999629 /nfs/dbraw/zinc/99/96/29/654999629.db2.gz WNIFJQSVUAOSJC-CYBMUJFWSA-N 1 0 385.302 2.609 20 0 GFADRO Cc1nn(C)c(Cl)c1S(=O)(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000071841201 655000712 /nfs/dbraw/zinc/00/07/12/655000712.db2.gz HKORLYMDGJSHMC-UHFFFAOYSA-N 1 0 388.965 2.705 20 0 GFADRO [NH3+]C[C@H]1CCCC[C@H]1NC(=O)c1cc(F)ccc1I ZINC000269242586 655002601 /nfs/dbraw/zinc/00/26/01/655002601.db2.gz CXAKIZLNRMKQKM-NOZJJQNGSA-N 1 0 376.213 2.678 20 0 GFADRO COC(=O)[C@H](NC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(Br)cc1 ZINC000269244948 655002936 /nfs/dbraw/zinc/00/29/36/655002936.db2.gz ZHPUKYCNOASXOM-XDNDCFONSA-N 1 0 395.297 2.700 20 0 GFADRO NC(=O)c1csc(C[N@@H+]2CCC[C@@H](C(=O)Nc3ccc(Cl)cn3)C2)c1 ZINC000091857113 655010612 /nfs/dbraw/zinc/01/06/12/655010612.db2.gz MOCPCLDBWZZGRK-LLVKDONJSA-N 1 0 378.885 2.746 20 0 GFADRO C[C@H](C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1)[N@H+](C)CCC1CC1 ZINC000135254745 655012775 /nfs/dbraw/zinc/01/27/75/655012775.db2.gz QVSDDHWZVYYJHR-GFCCVEGCSA-N 1 0 387.933 2.649 20 0 GFADRO CC(=O)N1CCC([NH2+]Cc2ncc(Br)cc2Br)CC1 ZINC000135291962 655013235 /nfs/dbraw/zinc/01/32/35/655013235.db2.gz DGHFMVRCCPUJEC-UHFFFAOYSA-N 1 0 391.107 2.707 20 0 GFADRO O=C(C[NH+]1CCC(C(=O)Nc2cccc(Br)c2)CC1)N1CCCC1 ZINC000269615687 655015074 /nfs/dbraw/zinc/01/50/74/655015074.db2.gz OUHBJMLMCOSOQK-UHFFFAOYSA-N 1 0 394.313 2.722 20 0 GFADRO CCCC[N@H+](CCC(=O)NCc1ccccc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000269649038 655015813 /nfs/dbraw/zinc/01/58/13/655015813.db2.gz PYKFHFHSBOVKHU-MRXNPFEDSA-N 1 0 386.945 2.636 20 0 GFADRO O=[N+]([O-])c1cc(CN2CCC[C@@H](C[NH+]3CCOCC3)C2)ccc1Br ZINC000093017312 655016610 /nfs/dbraw/zinc/01/66/10/655016610.db2.gz VUBGBLSTHYSLKA-HNNXBMFYSA-N 1 0 398.301 2.902 20 0 GFADRO O=C(NCc1nc2cc(Br)cnc2[nH]1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000269703888 655018019 /nfs/dbraw/zinc/01/80/19/655018019.db2.gz QCJTWTQWQUBVFB-AWEZNQCLSA-N 1 0 392.301 2.744 20 0 GFADRO C[N@H+](Cc1cc(Br)ccc1O)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000093385988 655018831 /nfs/dbraw/zinc/01/88/31/655018831.db2.gz CSRJQJMRJOLRJE-LLVKDONJSA-N 1 0 381.192 2.750 20 0 GFADRO Cc1ccc(Cl)c(S(=O)(=O)N2CCC([N@H+](C)CCCO)CC2)c1Cl ZINC000269783635 655021486 /nfs/dbraw/zinc/02/14/86/655021486.db2.gz PGLLIYJIZXSCBG-UHFFFAOYSA-N 1 0 395.352 2.769 20 0 GFADRO CN(CCN(C)S(=O)(=O)c1cc(Cl)cc(Cl)c1)C1CC[NH+](C)CC1 ZINC000097000179 655033037 /nfs/dbraw/zinc/03/30/37/655033037.db2.gz YHKANMAPBQEIOB-UHFFFAOYSA-N 1 0 394.368 2.640 20 0 GFADRO CC[NH+]1CCN(C[C@H](C)CNS(=O)(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000096999581 655033137 /nfs/dbraw/zinc/03/31/37/655033137.db2.gz VWLJRCUSPOYVDO-CYBMUJFWSA-N 1 0 394.368 2.545 20 0 GFADRO O=C(Cc1ccc(F)c(Br)c1)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000136861115 655036249 /nfs/dbraw/zinc/03/62/49/655036249.db2.gz AVNDBZIFWALWKS-AWEZNQCLSA-N 1 0 399.304 2.748 20 0 GFADRO Cc1sc(Br)cc1S(=O)(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000097935697 655038153 /nfs/dbraw/zinc/03/81/53/655038153.db2.gz QMSYQOCADWXHPD-UHFFFAOYSA-N 1 0 381.361 2.924 20 0 GFADRO CC(C)[N@H+](C)CC(=O)N[C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000137350771 655039773 /nfs/dbraw/zinc/03/97/73/655039773.db2.gz ZPRPAJTXTYCZPK-GFCCVEGCSA-N 1 0 378.826 2.789 20 0 GFADRO CC(C)COC[C@H](O)C[NH2+][C@@H](C)CC(=O)Nc1ccc(Br)cc1 ZINC000098173704 655041236 /nfs/dbraw/zinc/04/12/36/655041236.db2.gz JCQKDRJUIRBQRL-XJKSGUPXSA-N 1 0 387.318 2.789 20 0 GFADRO O=S(=O)(Cc1ccc(Cl)nc1)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000101571479 655044332 /nfs/dbraw/zinc/04/43/32/655044332.db2.gz UISIJDOEDMVODQ-KRWDZBQOSA-N 1 0 379.913 2.819 20 0 GFADRO CCCC[C@@H](C[NH3+])NS(=O)(=O)c1cc(Cl)cc(Br)c1OC ZINC000150323567 655046314 /nfs/dbraw/zinc/04/63/14/655046314.db2.gz BRCWUXFOFXPRQD-JTQLQIEISA-N 1 0 399.738 2.907 20 0 GFADRO CCc1nc(CCNC(=O)NCC2([NH+]3CCSCC3)CCCC2)cs1 ZINC000102556768 655056089 /nfs/dbraw/zinc/05/60/89/655056089.db2.gz NCJAISPLJDGROD-UHFFFAOYSA-N 1 0 382.599 2.909 20 0 GFADRO C[C@@H](Cc1ccc(Br)cc1)C(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000270918565 655060190 /nfs/dbraw/zinc/06/01/90/655060190.db2.gz UHIVUAJGZVFIGL-HNNXBMFYSA-N 1 0 397.357 2.933 20 0 GFADRO CCC[NH+]1CCC(NS(=O)(=O)c2cc(Br)c(F)cc2F)CC1 ZINC000103152685 655067648 /nfs/dbraw/zinc/06/76/48/655067648.db2.gz RIXYAABQQPRHDG-UHFFFAOYSA-N 1 0 397.285 2.880 20 0 GFADRO O=S(=O)(c1cc(Br)c(F)cc1F)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000103160169 655068367 /nfs/dbraw/zinc/06/83/67/655068367.db2.gz IEROCZBOZHOVCA-JTQLQIEISA-N 1 0 395.269 2.586 20 0 GFADRO COCC1(O)CC[NH+](Cc2cn(-c3ccc(Br)cc3)nc2C)CC1 ZINC000271190871 655069528 /nfs/dbraw/zinc/06/95/28/655069528.db2.gz PHGHMHTXRWDCGF-UHFFFAOYSA-N 1 0 394.313 2.917 20 0 GFADRO C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1CCC(=O)Nc1ccc(Br)cc1F ZINC000103284501 655070497 /nfs/dbraw/zinc/07/04/97/655070497.db2.gz YGOUTFGOMLDPSR-WDEREUQCSA-N 1 0 386.265 2.503 20 0 GFADRO NC(=O)CCC1CC[NH+](CCC(=O)Nc2cccc(Br)c2)CC1 ZINC000271251909 655072951 /nfs/dbraw/zinc/07/29/51/655072951.db2.gz RXBKUNUSEQHTMC-UHFFFAOYSA-N 1 0 382.302 2.755 20 0 GFADRO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(CCOc2c(Cl)cccc2Cl)CC1 ZINC000104069352 655078093 /nfs/dbraw/zinc/07/80/93/655078093.db2.gz ZHXSKWCQOJIBAC-INIZCTEOSA-N 1 0 386.323 2.786 20 0 GFADRO CC(C)(C)[S@@](=O)CCNC(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000155024863 655080272 /nfs/dbraw/zinc/08/02/72/655080272.db2.gz RWZGFKWZFVCABT-RUZDIDTESA-N 1 0 389.631 2.585 20 0 GFADRO COc1cc[nH+]c(N2CCN(C(=O)Cc3ccc(Br)cc3)CC2)c1 ZINC000104515738 655081585 /nfs/dbraw/zinc/08/15/85/655081585.db2.gz RDAZQVXWHGLQFV-UHFFFAOYSA-N 1 0 390.281 2.744 20 0 GFADRO CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+]C[C@@](C)(O)C(F)(F)F)cc1 ZINC000271578133 655086316 /nfs/dbraw/zinc/08/63/16/655086316.db2.gz WMKZUMYCAXVDNG-SWLSCSKDSA-N 1 0 382.448 2.681 20 0 GFADRO CS(=O)(=O)CCOCC[NH2+][C@H]1CCc2c1cc(Br)cc2Cl ZINC000271576498 655086358 /nfs/dbraw/zinc/08/63/58/655086358.db2.gz ZYYTVMCXMRGDJF-AWEZNQCLSA-N 1 0 396.734 2.741 20 0 GFADRO [NH3+]C[C@@H](NC(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1)C1CCCCC1 ZINC000155772057 655087333 /nfs/dbraw/zinc/08/73/33/655087333.db2.gz PVGPPZZCDFPPPG-CQSZACIVSA-N 1 0 378.416 2.618 20 0 GFADRO C[NH+](C)[C@@H]1CCCN(C(=O)N[C@@H]2CCN(c3ccc(Br)cc3)C2)C1 ZINC000105243433 655089795 /nfs/dbraw/zinc/08/97/95/655089795.db2.gz IRWATIIZSJAYAA-NVXWUHKLSA-N 1 0 395.345 2.763 20 0 GFADRO CC(=O)Nc1ccc(CC[NH2+][C@@H](C(N)=O)c2ccc(Br)cc2)cc1 ZINC000105402547 655092907 /nfs/dbraw/zinc/09/29/07/655092907.db2.gz SRYKXDLJTWRLQE-QGZVFWFLSA-N 1 0 390.281 2.766 20 0 GFADRO Cc1ccc(C[NH2+][C@H]2CCO[C@]3(CCS(=O)(=O)C3)C2)c(Br)c1 ZINC000271824250 655095793 /nfs/dbraw/zinc/09/57/93/655095793.db2.gz ADNRQAZUVSBUEQ-GOEBONIOSA-N 1 0 388.327 2.583 20 0 GFADRO COC(=O)c1cc(S(=O)(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)ccc1Cl ZINC000156846592 655096665 /nfs/dbraw/zinc/09/66/65/655096665.db2.gz GEFWYEVLLANGPK-ZDUSSCGKSA-N 1 0 388.917 2.622 20 0 GFADRO C[C@@H]([NH2+]CCOc1ccccc1Br)c1cccc(S(N)(=O)=O)c1 ZINC000271872967 655097408 /nfs/dbraw/zinc/09/74/08/655097408.db2.gz QPLGQUIMXVWVIW-GFCCVEGCSA-N 1 0 399.310 2.826 20 0 GFADRO CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)C1 ZINC000271974103 655099815 /nfs/dbraw/zinc/09/98/15/655099815.db2.gz VCXKJGAHODHKRU-NORZTCDRSA-N 1 0 388.892 2.530 20 0 GFADRO Cc1cc(C[NH2+][C@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)ccc1Br ZINC000272103640 655102889 /nfs/dbraw/zinc/10/28/89/655102889.db2.gz WEASLNFGAFCNMN-HOCLYGCPSA-N 1 0 388.327 2.583 20 0 GFADRO FC(F)(F)Cn1cnn(CN2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1=S ZINC000158030874 655103962 /nfs/dbraw/zinc/10/39/62/655103962.db2.gz YBOGQJVZZYNKJW-TZMCWYRMSA-N 1 0 375.464 2.883 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)[C@H]1CSCN1C(=O)C1CCCC1)c1cccs1 ZINC000106355192 655106775 /nfs/dbraw/zinc/10/67/75/655106775.db2.gz BILWWLCUKSGCMJ-HUUCEWRRSA-N 1 0 381.567 2.559 20 0 GFADRO C[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C1 ZINC000106364121 655107059 /nfs/dbraw/zinc/10/70/59/655107059.db2.gz HXXZBXUGIQUDGY-ZIAGYGMSSA-N 1 0 384.307 2.899 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)C1([NH+](C)C)CCC1 ZINC000158529234 655107369 /nfs/dbraw/zinc/10/73/69/655107369.db2.gz DFXGGSFCFQSDIR-UHFFFAOYSA-N 1 0 382.302 2.639 20 0 GFADRO C[NH+](C)CCCOC1CCN(S(=O)(=O)c2c(Cl)ccnc2Cl)CC1 ZINC000272261695 655107475 /nfs/dbraw/zinc/10/74/75/655107475.db2.gz VCOIQSCGIUMGSO-UHFFFAOYSA-N 1 0 396.340 2.510 20 0 GFADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)c3cnn(-c4ccc(Br)cc4)c3)[C@@H]2C1 ZINC000272369319 655110343 /nfs/dbraw/zinc/11/03/43/655110343.db2.gz AOLPHPXPKDRQDD-CXAGYDPISA-N 1 0 389.297 2.801 20 0 GFADRO O=C(c1cnn(-c2cccc(Br)c2)c1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000106767644 655110724 /nfs/dbraw/zinc/11/07/24/655110724.db2.gz WNEABUKTQOZQTD-QGZVFWFLSA-N 1 0 389.297 2.945 20 0 GFADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)/C=C/c3ccc(Br)s3)C2)CC1 ZINC000106799336 655111559 /nfs/dbraw/zinc/11/15/59/655111559.db2.gz DTMSZOVTXKXTSA-YVARQFDVSA-N 1 0 398.370 2.762 20 0 GFADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)c1cnc(-c2ccccc2Cl)s1 ZINC000106816563 655111903 /nfs/dbraw/zinc/11/19/03/655111903.db2.gz ULCAQGFGQJRNIQ-CYBMUJFWSA-N 1 0 378.929 2.829 20 0 GFADRO C[C@@H](O)[C@@H]1CCCC[N@@H+]1CC(=O)N(C)Cc1cc(Br)cs1 ZINC000106864536 655112696 /nfs/dbraw/zinc/11/26/96/655112696.db2.gz QRJLBRVJTHAVML-RISCZKNCSA-N 1 0 375.332 2.704 20 0 GFADRO C[NH+]1CCC(C)(CNC(=O)Nc2ccc(NS(C)(=O)=O)c(Cl)c2)CC1 ZINC000272564846 655116399 /nfs/dbraw/zinc/11/63/99/655116399.db2.gz RDIVWAREHISYHF-UHFFFAOYSA-N 1 0 388.921 2.565 20 0 GFADRO COC[C@@H](C[NH2+]Cc1cc(Br)c(OC(F)F)c(OC)c1)OC ZINC000272675354 655118661 /nfs/dbraw/zinc/11/86/61/655118661.db2.gz LOALPSKMWWVTAJ-SNVBAGLBSA-N 1 0 384.217 2.810 20 0 GFADRO Cc1cccc(C(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)c1I ZINC000272794837 655121662 /nfs/dbraw/zinc/12/16/62/655121662.db2.gz UEMCWOQYHVGOOW-LBPRGKRZSA-N 1 0 384.261 2.980 20 0 GFADRO C[N@@H+](CC(=O)Nc1ccccc1I)C[C@H]1CCCOC1 ZINC000107693214 655123585 /nfs/dbraw/zinc/12/35/85/655123585.db2.gz OBHYZCCXKBHEES-GFCCVEGCSA-N 1 0 388.249 2.588 20 0 GFADRO C[N@@H+](CC(=O)Nc1ccccc1I)C[C@@H]1CCCOC1 ZINC000107693209 655123654 /nfs/dbraw/zinc/12/36/54/655123654.db2.gz OBHYZCCXKBHEES-LBPRGKRZSA-N 1 0 388.249 2.588 20 0 GFADRO CC[N@@H+]1CC[C@@H](CNC(=O)c2ccc(-n3cc(Br)cn3)cc2)C1 ZINC000107893907 655126061 /nfs/dbraw/zinc/12/60/61/655126061.db2.gz PAESTXODYMOPBC-ZDUSSCGKSA-N 1 0 377.286 2.706 20 0 GFADRO C[C@@H](NC(=O)C[C@@H]1Sc2ccc(Cl)cc2NC1=O)C1=CC[N@H+](C)CC1 ZINC000272949658 655126309 /nfs/dbraw/zinc/12/63/09/655126309.db2.gz MRHRSLKFPZAWJT-BZNIZROVSA-N 1 0 379.913 2.910 20 0 GFADRO CC[N@@H+]1CCC[C@H](CNS(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2Cl)C1 ZINC000161576655 655127589 /nfs/dbraw/zinc/12/75/89/655127589.db2.gz ZTPDQPGFJOCQCQ-GFCCVEGCSA-N 1 0 375.878 2.567 20 0 GFADRO O=C(Nc1ccccc1I)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000108494856 655134375 /nfs/dbraw/zinc/13/43/75/655134375.db2.gz QDOOSSUEMGUAIP-LBPRGKRZSA-N 1 0 385.249 2.897 20 0 GFADRO O=C(NCCc1cc(Br)ccc1F)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000108565554 655134771 /nfs/dbraw/zinc/13/47/71/655134771.db2.gz QRMYHZZYNQWKQJ-OAHLLOKOSA-N 1 0 384.293 2.914 20 0 GFADRO C[C@H](c1ccc(NC(=O)c2cnn(C)c2Br)cc1)N1CCOCC1 ZINC000273275864 655137570 /nfs/dbraw/zinc/13/75/70/655137570.db2.gz VTGRDWRLHQZBPT-GFCCVEGCSA-N 1 0 393.285 2.828 20 0 GFADRO CC(=O)N(c1nn(CN2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c(=S)s1)C1CC1 ZINC000164667433 655138415 /nfs/dbraw/zinc/13/84/15/655138415.db2.gz JZGZSEDPMHYGBH-HIFRSBDPSA-N 1 0 381.571 2.563 20 0 GFADRO O=c1cc(C[N@H+]2CCC[C@H]2Cc2ccc(Br)cc2)[nH]c2ccnn21 ZINC000108856937 655138627 /nfs/dbraw/zinc/13/86/27/655138627.db2.gz NUQWOPJZXTWYQM-INIZCTEOSA-N 1 0 387.281 2.992 20 0 GFADRO COc1cc([C@H](C)[NH2+]C[C@@H](C2CC2)N(C)C)ccc1S(=O)(=O)C(F)F ZINC000166277610 655141299 /nfs/dbraw/zinc/14/12/99/655141299.db2.gz VKMKZYUONBKFRY-FZMZJTMJSA-N 1 0 376.469 2.682 20 0 GFADRO Brc1cc(C[NH2+][C@@H]2CCCN(c3cccnn3)C2)cc2c1OCO2 ZINC000109070810 655141727 /nfs/dbraw/zinc/14/17/27/655141727.db2.gz HVUPGWPIALVHKH-CYBMUJFWSA-N 1 0 391.269 2.726 20 0 GFADRO C[NH+](C)CCCN(C(=O)c1cc(Cl)cc(Cl)c1)[C@H]1CCS(=O)(=O)C1 ZINC000273416337 655142676 /nfs/dbraw/zinc/14/26/76/655142676.db2.gz CVGJHYUNBFMYGW-HNNXBMFYSA-N 1 0 393.336 2.574 20 0 GFADRO COc1cc(C[NH2+][C@H](Cc2ccccc2)C(N)=O)cc(Br)c1OC ZINC000273464560 655144244 /nfs/dbraw/zinc/14/42/44/655144244.db2.gz IGDBPUMWKDIRKJ-OAHLLOKOSA-N 1 0 393.281 2.653 20 0 GFADRO C[C@@H](C1CC[NH+](C)CC1)N(C)S(=O)(=O)c1ccc(OCC(F)F)cc1 ZINC000273550716 655147525 /nfs/dbraw/zinc/14/75/25/655147525.db2.gz VUYFJHVTVPETDO-ZDUSSCGKSA-N 1 0 376.469 2.681 20 0 GFADRO CCC[N@H+](CCC(=O)NCC(=O)OC)[C@@H](C)c1ccccc1Br ZINC000109830948 655153323 /nfs/dbraw/zinc/15/33/23/655153323.db2.gz GBVVLGBBOSVBPH-ZDUSSCGKSA-N 1 0 385.302 2.901 20 0 GFADRO CCC(CC)[C@H](CNC(=O)C(=O)Nc1cc(Cl)c(N)c(Cl)c1)[NH+](C)C ZINC000839486395 661086535 /nfs/dbraw/zinc/08/65/35/661086535.db2.gz UAXQVTLGKSMSOR-AWEZNQCLSA-N 1 0 389.327 2.997 20 0 GFADRO CCOC(=O)[C@H](C)[C@H](C)[NH2+]CC(=O)Nc1ccc(Br)cc1F ZINC000273915319 655164036 /nfs/dbraw/zinc/16/40/36/655164036.db2.gz AVGPXMFGMKZJBQ-ZJUUUORDSA-N 1 0 375.238 2.704 20 0 GFADRO Cn1nc(C(=O)N2C[C@@H]3CCC[N@@H+]3Cc3ccccc32)cc1Br ZINC000839254249 661077156 /nfs/dbraw/zinc/07/71/56/661077156.db2.gz HTLNBDQOIAQYET-ZDUSSCGKSA-N 1 0 375.270 2.807 20 0 GFADRO CS[C@H]1CN(CC(=O)Nc2cccc3c2N=S=N3)C[C@@H]1[NH+]1CCCC1 ZINC000273977313 655166963 /nfs/dbraw/zinc/16/69/63/655166963.db2.gz HHFJUSBQUNGUGF-GJZGRUSLSA-N 1 0 377.539 2.863 20 0 GFADRO CN1CC[NH+]([C@H]2CCCCN(C(=O)Cc3ccc(Br)cc3)C2)CC1 ZINC000173286490 655167393 /nfs/dbraw/zinc/16/73/93/655167393.db2.gz MOTPXCJLSFGWFW-SFHVURJKSA-N 1 0 394.357 2.620 20 0 GFADRO O=C1CCCN1[C@H]1CCC[N@@H+](C[C@@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000111293071 655168017 /nfs/dbraw/zinc/16/80/17/655168017.db2.gz NWHDSLQAVMGTOJ-UONOGXRCSA-N 1 0 387.307 2.820 20 0 GFADRO C[C@H]([NH2+]CCN1CCN(c2ncccn2)CC1)c1cccc(Br)c1 ZINC000173332069 655168912 /nfs/dbraw/zinc/16/89/12/655168912.db2.gz QRARBYKFITVEQR-HNNXBMFYSA-N 1 0 390.329 2.712 20 0 GFADRO C[C@@H](CNC(=O)[C@H](C)c1ccc(Br)s1)C[NH+]1CCN(C)CC1 ZINC000173402923 655170028 /nfs/dbraw/zinc/17/00/28/655170028.db2.gz YHENRMFRMZAPNS-QWHCGFSZSA-N 1 0 388.375 2.614 20 0 GFADRO O=S(=O)(CC[NH2+]Cc1cc(Cl)cc(Cl)c1)NC[C@@H]1CCCCO1 ZINC000111405320 655172792 /nfs/dbraw/zinc/17/27/92/655172792.db2.gz VPFTUEGQCAZNKN-HNNXBMFYSA-N 1 0 381.325 2.572 20 0 GFADRO Cc1ccc(-n2nc(Br)cc2C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000274178346 655177518 /nfs/dbraw/zinc/17/75/18/655177518.db2.gz OCVUJGDPEFRRNG-GOSISDBHSA-N 1 0 389.297 2.769 20 0 GFADRO COCCOC[C@@H]1CC[N@H+](CC(=O)Nc2ccc(Br)c(C)c2)C1 ZINC000173726119 655177898 /nfs/dbraw/zinc/17/78/98/655177898.db2.gz ZKVIDWPFEKCLJH-CQSZACIVSA-N 1 0 385.302 2.681 20 0 GFADRO COCCOC[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccc(Br)cc2)C1 ZINC000173726309 655177910 /nfs/dbraw/zinc/17/79/10/655177910.db2.gz FOGVDPIFSBPJPV-KBPBESRZSA-N 1 0 385.302 2.761 20 0 GFADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2c(C)cc(Br)cc2C)C1 ZINC000173729151 655178093 /nfs/dbraw/zinc/17/80/93/655178093.db2.gz HJBHIRLSALDXKK-AWEZNQCLSA-N 1 0 396.329 2.805 20 0 GFADRO C[C@@H]1C[C@H](N(C)C(=O)COc2ccc(C=O)cc2Br)CC[N@@H+]1C ZINC000173748057 655179458 /nfs/dbraw/zinc/17/94/58/655179458.db2.gz WCTHOWMXKYYTTN-TZMCWYRMSA-N 1 0 383.286 2.582 20 0 GFADRO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NC[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000173750778 655179469 /nfs/dbraw/zinc/17/94/69/655179469.db2.gz HPBKQVJREMFMCK-DLBZAZTESA-N 1 0 389.323 2.936 20 0 GFADRO COCCN(CC(F)F)C(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000112217166 655184923 /nfs/dbraw/zinc/18/49/23/655184923.db2.gz CRKGZKYQHRBXFN-UHFFFAOYSA-N 1 0 379.517 2.661 20 0 GFADRO OC[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCc1cncc(Br)c1 ZINC000274340731 655185394 /nfs/dbraw/zinc/18/53/94/655185394.db2.gz PQXQLPBWBIHDQF-IEBWSBKVSA-N 1 0 390.325 2.817 20 0 GFADRO CC[NH+](CC)C[C@H]1CCN(S(=O)(=O)c2ccc(Br)s2)C1 ZINC000173917045 655185427 /nfs/dbraw/zinc/18/54/27/655185427.db2.gz IYUFEUOQFHKSSZ-LLVKDONJSA-N 1 0 381.361 2.863 20 0 GFADRO CC[NH+](CC)C[C@H]1CCN(S(=O)(=O)c2sccc2Br)C1 ZINC000173921058 655185685 /nfs/dbraw/zinc/18/56/85/655185685.db2.gz FRYCOEJJTGIVOM-LLVKDONJSA-N 1 0 381.361 2.863 20 0 GFADRO CC[NH+](CC)[C@H]1CCN(S(=O)(=O)c2cc(Br)ccc2F)C1 ZINC000173993216 655188682 /nfs/dbraw/zinc/18/86/82/655188682.db2.gz MFBKCBVOONUUGV-LBPRGKRZSA-N 1 0 379.295 2.693 20 0 GFADRO COC(=O)CC[N@H+](CC(=O)Nc1cc(Cl)ccc1Cl)C1CCOCC1 ZINC000173999783 655189438 /nfs/dbraw/zinc/18/94/38/655189438.db2.gz ZANSISUBILMCLE-UHFFFAOYSA-N 1 0 389.279 2.976 20 0 GFADRO CC(C)[C@H](CNC(=O)c1cnc(-c2ccsc2)s1)N1CC[NH+](C)CC1 ZINC000112403670 655190776 /nfs/dbraw/zinc/19/07/76/655190776.db2.gz ROFFIRXFPPOFAQ-HNNXBMFYSA-N 1 0 378.567 2.873 20 0 GFADRO COCC[NH+]1CCC(NC(=O)Nc2c(F)cc(Br)cc2F)CC1 ZINC000174077311 655191607 /nfs/dbraw/zinc/19/16/07/655191607.db2.gz UOGYKUOPMZKRND-UHFFFAOYSA-N 1 0 392.244 2.960 20 0 GFADRO NC(=O)[C@]1(c2ccccc2)CC[N@H+](C[C@@H](O)c2ccccc2Br)C1 ZINC000839640348 661097900 /nfs/dbraw/zinc/09/79/00/661097900.db2.gz JVLAOFSNQWQCOM-IEBWSBKVSA-N 1 0 389.293 2.612 20 0 GFADRO C[C@H](CNC(=O)NCCc1c(Cl)cccc1Cl)C[NH+]1CCN(C)CC1 ZINC000174257520 655195818 /nfs/dbraw/zinc/19/58/18/655195818.db2.gz JNSUQRRCXJHBSO-CQSZACIVSA-N 1 0 387.355 2.719 20 0 GFADRO O=C(NCCc1nc(C(F)(F)F)cs1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000174305745 655198392 /nfs/dbraw/zinc/19/83/92/655198392.db2.gz IWJQRDBNBHNQFU-GFCCVEGCSA-N 1 0 376.448 2.832 20 0 GFADRO COc1c(Br)cccc1CNC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000274734972 655199360 /nfs/dbraw/zinc/19/93/60/655199360.db2.gz BNDYBSMLVMUECE-IRXDYDNUSA-N 1 0 383.330 2.925 20 0 GFADRO CCS(=O)(=O)c1c(Cl)cccc1C[NH2+][C@H]1CCC[C@H](C(=O)N(C)C)C1 ZINC000274752152 655200065 /nfs/dbraw/zinc/20/00/65/655200065.db2.gz FGSPLDOJFMAPFM-ZFWWWQNUSA-N 1 0 386.945 2.870 20 0 GFADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)Nc1ccc(Br)c(F)c1 ZINC000274847819 655204252 /nfs/dbraw/zinc/20/42/52/655204252.db2.gz VRBUMJNNYLMIAR-LBPRGKRZSA-N 1 0 387.297 2.736 20 0 GFADRO C[C@H]1C[C@@H](N(C)C(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)CC[N@@H+]1C ZINC000174582165 655204484 /nfs/dbraw/zinc/20/44/84/655204484.db2.gz LWRKIWLBJBZZGY-AAEUAGOBSA-N 1 0 375.441 2.629 20 0 GFADRO C[C@H]([NH2+]C1(CNS(=O)(=O)c2cccs2)CCOCC1)c1ccccc1 ZINC000113306279 655207967 /nfs/dbraw/zinc/20/79/67/655207967.db2.gz RLHLHIPOPNZCFJ-HNNXBMFYSA-N 1 0 380.535 2.926 20 0 GFADRO C[NH+](C)C[C@H]1CCN(C(=O)[C@@]23CCC(=O)N2c2cc(Cl)ccc2S3)C1 ZINC000113452107 655210696 /nfs/dbraw/zinc/21/06/96/655210696.db2.gz BIYVNODVMXQYDG-XIKOKIGWSA-N 1 0 379.913 2.679 20 0 GFADRO C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2cc(Cl)c(Cl)cc2Cl)C1 ZINC000113645302 655212955 /nfs/dbraw/zinc/21/29/55/655212955.db2.gz ZDLDBBLIPINZMI-VIFPVBQESA-N 1 0 378.687 2.995 20 0 GFADRO CC(C)(C)OC(=O)N1CC[C@@H](CC[N@H+](CCS(C)(=O)=O)C(C)(C)C)C1 ZINC000839505569 661088421 /nfs/dbraw/zinc/08/84/21/661088421.db2.gz HMIANBGCZTVALT-HNNXBMFYSA-N 1 0 376.563 2.779 20 0 GFADRO CN(c1ncnc2ccc(I)cc21)[C@@H]1CCC[N@H+](C)C1 ZINC000175047653 655213488 /nfs/dbraw/zinc/21/34/88/655213488.db2.gz IYBQYQVZBHRTDF-GFCCVEGCSA-N 1 0 382.249 2.765 20 0 GFADRO C[NH+](C)CC1CCC(NC(=O)C(=O)Nc2cc(Cl)c(N)c(Cl)c2)CC1 ZINC000839506054 661088712 /nfs/dbraw/zinc/08/87/12/661088712.db2.gz SPYRHMLHXNTASY-UHFFFAOYSA-N 1 0 387.311 2.751 20 0 GFADRO Cc1ccc(NC(=O)c2nc3ncc(Br)cn3n2)c(C[NH+](C)C)c1 ZINC000113912054 655215704 /nfs/dbraw/zinc/21/57/04/655215704.db2.gz LIGXQKHYRTXIJL-UHFFFAOYSA-N 1 0 389.257 2.509 20 0 GFADRO CS[C@@H]1CN(C[C@H](O)c2cccc(Br)c2)C[C@H]1[NH+]1CCCC1 ZINC000275093229 655216422 /nfs/dbraw/zinc/21/64/22/655216422.db2.gz PKZSFXWYVDABFI-IXDOHACOSA-N 1 0 385.371 2.994 20 0 GFADRO COC(=O)c1cc(S(=O)(=O)NC[C@@H](C)[N@H+](C)C2CC2)c(Cl)cc1Cl ZINC000175265585 655217067 /nfs/dbraw/zinc/21/70/67/655217067.db2.gz GAXIVTBXHLGCAY-SECBINFHSA-N 1 0 395.308 2.541 20 0 GFADRO COc1ccc(Br)c(S(=O)(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000175305806 655219380 /nfs/dbraw/zinc/21/93/80/655219380.db2.gz PMCDUOUHYQACBQ-NWDGAFQWSA-N 1 0 391.331 2.561 20 0 GFADRO O=C(Nc1nc(-c2cccs2)cs1)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000175828386 655227299 /nfs/dbraw/zinc/22/72/99/655227299.db2.gz DHEZLSBGFLDQMQ-UHFFFAOYSA-N 1 0 376.507 2.553 20 0 GFADRO C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)Nc2nc(-c3cccs3)cs2)C1 ZINC000175840526 655228245 /nfs/dbraw/zinc/22/82/45/655228245.db2.gz BNLNOXKHNTWJQO-GFCCVEGCSA-N 1 0 378.523 2.658 20 0 GFADRO O=C(NCCC[NH+]1CCCCC1)C(=O)Nc1c(F)cccc1Br ZINC000176072308 655233718 /nfs/dbraw/zinc/23/37/18/655233718.db2.gz OCYPCSLTMXUGRH-UHFFFAOYSA-N 1 0 386.265 2.519 20 0 GFADRO C[C@@H](NC(=O)c1cc(=O)[nH]c2c(Br)cccc12)C(C)(C)C[NH+](C)C ZINC000176170338 655238129 /nfs/dbraw/zinc/23/81/29/655238129.db2.gz FFCBOYVINBUDKO-LLVKDONJSA-N 1 0 394.313 2.997 20 0 GFADRO CS[C@H]1CN(S(=O)(=O)c2ccc(Cl)nc2Cl)C[C@H]1[NH+]1CCCC1 ZINC000275505646 655239414 /nfs/dbraw/zinc/23/94/14/655239414.db2.gz RTGBMIGMRDMMGZ-MNOVXSKESA-N 1 0 396.365 2.589 20 0 GFADRO C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+]1CC[C@@H](O)C(C)(C)C1 ZINC000275520726 655240032 /nfs/dbraw/zinc/24/00/32/655240032.db2.gz VGRKJRPWIFPKGT-CZUORRHYSA-N 1 0 383.330 2.889 20 0 GFADRO COc1ccc(NC(=O)c2ccn([C@@H]3CCC[NH2+]C3)n2)cc1Br ZINC000275529478 655240296 /nfs/dbraw/zinc/24/02/96/655240296.db2.gz FRFLBTUNODDBCU-GFCCVEGCSA-N 1 0 379.258 2.831 20 0 GFADRO C[NH+](C)CCOc1cc(NC(=O)C(=O)c2ccc(Br)s2)ccn1 ZINC000839717422 661102371 /nfs/dbraw/zinc/10/23/71/661102371.db2.gz VGYCPTHGEZPKKF-UHFFFAOYSA-N 1 0 398.282 2.667 20 0 GFADRO C[C@@H](CNC(=O)/C=C/c1csc(Br)c1)C[NH+]1CCN(C)CC1 ZINC000116200747 655245893 /nfs/dbraw/zinc/24/58/93/655245893.db2.gz WGQCPJWREQCUEZ-OOPCZODUSA-N 1 0 386.359 2.524 20 0 GFADRO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)c1cncc(Br)c1 ZINC000116249103 655246847 /nfs/dbraw/zinc/24/68/47/655246847.db2.gz ZTHBEHVEDDKJBZ-DYVFJYSZSA-N 1 0 389.297 2.880 20 0 GFADRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)Nc1ccc(Br)cc1 ZINC000275752567 655249599 /nfs/dbraw/zinc/24/95/99/655249599.db2.gz BHRLCAMWPQFDLW-GFCCVEGCSA-N 1 0 382.302 2.576 20 0 GFADRO CSc1nnc(CNC(=O)Nc2ccc(C)cc2OCC[NH+](C)C)s1 ZINC000275786348 655250989 /nfs/dbraw/zinc/25/09/89/655250989.db2.gz ULBOHGURWIFFCR-UHFFFAOYSA-N 1 0 381.527 2.831 20 0 GFADRO C[NH+](C)C1(CNC(=O)c2c(F)cccc2I)CCC1 ZINC000275969221 655257024 /nfs/dbraw/zinc/25/70/24/655257024.db2.gz LIINSKXSEXFSBR-UHFFFAOYSA-N 1 0 376.213 2.644 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C[N@H+](CCO)C1CCOCC1 ZINC000276032424 655259557 /nfs/dbraw/zinc/25/95/57/655259557.db2.gz RQUONQODSKIHBW-UHFFFAOYSA-N 1 0 394.313 2.917 20 0 GFADRO Brc1cccc2c1cnn2CN1CC[NH+](C2CCOCC2)CC1 ZINC000177171814 655270263 /nfs/dbraw/zinc/27/02/63/655270263.db2.gz SFTLJXYJTGZPPQ-UHFFFAOYSA-N 1 0 379.302 2.553 20 0 GFADRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)Nc2ccccc2Br)C1 ZINC000118111416 655271792 /nfs/dbraw/zinc/27/17/92/655271792.db2.gz GBPBJPAGBPYTIO-CYBMUJFWSA-N 1 0 382.302 2.624 20 0 GFADRO C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)Nc2ccccc2SC(F)(F)F)C1 ZINC000177531042 655279873 /nfs/dbraw/zinc/27/98/73/655279873.db2.gz SBRIDDXJQZUKRV-LLVKDONJSA-N 1 0 375.416 2.790 20 0 GFADRO C[N@H+]1CC=C(CNC(=O)c2nc(Br)ccc2Br)CC1 ZINC000276784517 655287278 /nfs/dbraw/zinc/28/72/78/655287278.db2.gz IMHIFCPTIITNCG-UHFFFAOYSA-N 1 0 389.091 2.598 20 0 GFADRO CCN(CCOc1ccc(Br)cc1)C(=O)[C@H]([NH3+])CCSC ZINC000119041142 655287698 /nfs/dbraw/zinc/28/76/98/655287698.db2.gz PNFMUUFSCWOUGB-CQSZACIVSA-N 1 0 375.332 2.757 20 0 GFADRO CCc1nc2c(s1)[C@@H]([NH2+]CCS(=O)(=O)NCc1ccccc1)CCC2 ZINC000177770598 655288367 /nfs/dbraw/zinc/28/83/67/655288367.db2.gz MEZYEMHWVWWGFZ-HNNXBMFYSA-N 1 0 379.551 2.792 20 0 GFADRO CS[C@H](CO)[C@H](C)NC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000119070347 655288858 /nfs/dbraw/zinc/28/88/58/655288858.db2.gz JNFREGTWOZMENK-SUMWQHHRSA-N 1 0 385.961 2.716 20 0 GFADRO O=C(NCC[N@@H+]1CCCOCC1)Nc1cc(F)cc(F)c1Br ZINC000276835276 655289501 /nfs/dbraw/zinc/28/95/01/655289501.db2.gz YDIHNZPWOMKNBZ-UHFFFAOYSA-N 1 0 378.217 2.571 20 0 GFADRO Cn1cc(Br)cc(NC(=O)NCc2cccc(C[NH+](C)C)c2)c1=O ZINC000177963648 655292645 /nfs/dbraw/zinc/29/26/45/655292645.db2.gz YQCMOXXMEATYCH-UHFFFAOYSA-N 1 0 393.285 2.531 20 0 GFADRO C[NH+](C)C(C)(C)CNC(=O)C(=O)Nc1cccnc1-c1ccc(Cl)s1 ZINC000276935266 655293881 /nfs/dbraw/zinc/29/38/81/655293881.db2.gz UEZQGVZQDDGSPX-UHFFFAOYSA-N 1 0 380.901 2.858 20 0 GFADRO CS[C@H](CO)[C@@H](C)NC(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000119269266 655296331 /nfs/dbraw/zinc/29/63/31/655296331.db2.gz HVQHYSDQNYORKE-XOKHGSTOSA-N 1 0 385.961 2.889 20 0 GFADRO C[NH+](C)C1(C(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)CCC1 ZINC000119305693 655297755 /nfs/dbraw/zinc/29/77/55/655297755.db2.gz BVDOZFLMOPVNGJ-UHFFFAOYSA-N 1 0 385.917 2.547 20 0 GFADRO COc1ccc([C@H](C)[NH2+]CCCN2C(=O)NC(C)(C)C2=O)cc1Br ZINC000178258321 655300730 /nfs/dbraw/zinc/30/07/30/655300730.db2.gz SJOBBLBPJCHQJH-NSHDSACASA-N 1 0 398.301 2.829 20 0 GFADRO Cc1csc(C(=O)N2CCN(CC[NH+]3CCCC3)CC2)c1Br ZINC000277114846 655304057 /nfs/dbraw/zinc/30/40/57/655304057.db2.gz RVSNVZKOORRZMY-UHFFFAOYSA-N 1 0 386.359 2.673 20 0 GFADRO O=C(Nc1cc(F)ccc1Br)C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000119456458 655304302 /nfs/dbraw/zinc/30/43/02/655304302.db2.gz BTZKJIJJEZWHLF-LBPRGKRZSA-N 1 0 398.276 2.660 20 0 GFADRO [NH3+]C[C@H]1CCN(C(=O)Cc2csc(-c3cccc(Br)c3)n2)C1 ZINC000178578913 655304997 /nfs/dbraw/zinc/30/49/97/655304997.db2.gz RSQCCUIIACEXBY-LLVKDONJSA-N 1 0 380.311 2.922 20 0 GFADRO COC(=O)C1CCC([NH2+]C[C@H](CO)Cc2ccccc2Br)CC1 ZINC000277145289 655305421 /nfs/dbraw/zinc/30/54/21/655305421.db2.gz PREZLRAVNRNICU-VQCLRJIVSA-N 1 0 384.314 2.922 20 0 GFADRO Cc1cc(NC(=O)N2CCC([N@H+](C)CCO)CC2)cc(C)c1Br ZINC000277290524 655311461 /nfs/dbraw/zinc/31/14/61/655311461.db2.gz SMSUZIOHMWSMRP-UHFFFAOYSA-N 1 0 384.318 2.986 20 0 GFADRO CN(C(=O)c1ccnc(Cl)c1I)[C@H]1CCC[N@H+](C)C1 ZINC000119710474 655312114 /nfs/dbraw/zinc/31/21/14/655312114.db2.gz VEQISLSVRKNHRZ-VIFPVBQESA-N 1 0 393.656 2.506 20 0 GFADRO CC(C)C[C@H](CNC(=O)C(=O)Nc1cc(Br)ccc1F)[NH+](C)C ZINC000119762209 655314238 /nfs/dbraw/zinc/31/42/38/655314238.db2.gz WKPSYJFECSVTEI-GFCCVEGCSA-N 1 0 388.281 2.619 20 0 GFADRO Cc1ccc(-n2cnnc2SCC(=O)NC2CC[NH+](C)CC2)cc1Cl ZINC000119778129 655314834 /nfs/dbraw/zinc/31/48/34/655314834.db2.gz WHYAKBQLZWGACR-UHFFFAOYSA-N 1 0 379.917 2.532 20 0 GFADRO COCC[N@H+](C)CCCNC(=O)NCC1(c2ccccc2Br)CC1 ZINC000119790521 655315461 /nfs/dbraw/zinc/31/54/61/655315461.db2.gz JDNOHOFMEPFZTM-UHFFFAOYSA-N 1 0 398.345 2.748 20 0 GFADRO C[C@H]([C@H](C)S(C)(=O)=O)[N@H+](C)CCC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000179683264 655315861 /nfs/dbraw/zinc/31/58/61/655315861.db2.gz OIVOBBWIGJRZTF-CABCVRRESA-N 1 0 376.563 2.777 20 0 GFADRO C[C@@H]([C@H](C)S(C)(=O)=O)[N@H+](C)CCC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000179683255 655315942 /nfs/dbraw/zinc/31/59/42/655315942.db2.gz OIVOBBWIGJRZTF-GJZGRUSLSA-N 1 0 376.563 2.777 20 0 GFADRO C[C@@H]1C[N@H+](CCCNC(=O)c2cc(Br)ncc2Cl)CCCO1 ZINC000277496583 655322853 /nfs/dbraw/zinc/32/28/53/655322853.db2.gz JRQJRLVQTLXFKZ-LLVKDONJSA-N 1 0 390.709 2.728 20 0 GFADRO C[C@@H](Cn1cc(Br)cn1)[NH2+][C@H]1CCN(c2ncccc2Cl)C1 ZINC000119975580 655323620 /nfs/dbraw/zinc/32/36/20/655323620.db2.gz MCEZGRKCFGPGNA-AAEUAGOBSA-N 1 0 384.709 2.951 20 0 GFADRO CCNC(=O)C1(C[NH2+]Cc2cnc3c(C)cc(Br)cn23)CCC1 ZINC000277509516 655323675 /nfs/dbraw/zinc/32/36/75/655323675.db2.gz WHJKXBHSXCEWRE-UHFFFAOYSA-N 1 0 379.302 2.801 20 0 GFADRO COc1ccccc1N1CC[C@H]([NH2+]Cc2c(Br)c(C)nn2C)C1 ZINC000279162593 655327224 /nfs/dbraw/zinc/32/72/24/655327224.db2.gz QAJIAGJFMLDXKZ-ZDUSSCGKSA-N 1 0 379.302 2.868 20 0 GFADRO Cc1nn(C)c(CNc2ccc(N3CC[C@H]([NH+](C)C)C3)cn2)c1Br ZINC000279166146 655327416 /nfs/dbraw/zinc/32/74/16/655327416.db2.gz QFVGNPTUYMUIRU-AWEZNQCLSA-N 1 0 393.333 2.638 20 0 GFADRO C[C@H]([NH2+]CC1CCN(S(=O)(=O)C(F)F)CC1)c1nc2c(s1)CCCC2 ZINC000180794049 655330319 /nfs/dbraw/zinc/33/03/19/655330319.db2.gz BBBLTEJQUZRWIS-NSHDSACASA-N 1 0 393.525 2.937 20 0 GFADRO C[C@H](Oc1ccc(Cl)cc1Br)C(=O)NCC1CC[NH2+]CC1 ZINC000120537499 655338331 /nfs/dbraw/zinc/33/83/31/655338331.db2.gz JMRADTNOUUHUIG-JTQLQIEISA-N 1 0 375.694 2.986 20 0 GFADRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1ccc(F)cc1I ZINC000120592670 655340018 /nfs/dbraw/zinc/34/00/18/655340018.db2.gz LROXFPDTQSHFPH-HZMBPMFUSA-N 1 0 390.240 2.843 20 0 GFADRO CCO[C@H]1C[C@H]([NH2+]C2CCN(S(=O)(=O)C(F)(F)F)CC2)C1(CC)CC ZINC000181884192 655340945 /nfs/dbraw/zinc/34/09/45/655340945.db2.gz YSVZWSFUGLBURD-KBPBESRZSA-N 1 0 386.480 2.874 20 0 GFADRO C[NH+](C)CCOc1ccccc1CNC(=O)c1cccc(Br)n1 ZINC000182603871 655345559 /nfs/dbraw/zinc/34/55/59/655345559.db2.gz LDWMIPDRKMTCKG-UHFFFAOYSA-N 1 0 378.270 2.715 20 0 GFADRO C[NH2+]CCCNC(=O)c1cc(I)cc(C(F)(F)F)c1 ZINC000121406964 655349602 /nfs/dbraw/zinc/34/96/02/655349602.db2.gz IIZYSBMOABXOFD-UHFFFAOYSA-N 1 0 386.155 2.649 20 0 GFADRO COc1cc(/C=C/C(=O)N2CCC([NH+](C)C)CC2)cc(Br)c1O ZINC000183591244 655352336 /nfs/dbraw/zinc/35/23/36/655352336.db2.gz LADIGUGPJNGKLO-SNAWJCMRSA-N 1 0 383.286 2.729 20 0 GFADRO Cn1cc(Br)c(C(=O)Nc2ccc(N3CCC[N@H+](C)CC3)cc2)n1 ZINC000292758115 655354278 /nfs/dbraw/zinc/35/42/78/655354278.db2.gz VKTVRICGNVTJTR-UHFFFAOYSA-N 1 0 392.301 2.577 20 0 GFADRO COC1(CC[NH2+][C@@H](C)c2ccc(Br)c(S(N)(=O)=O)c2)CCC1 ZINC000293659738 655361359 /nfs/dbraw/zinc/36/13/59/655361359.db2.gz IMFULSOVAHRFTN-NSHDSACASA-N 1 0 391.331 2.706 20 0 GFADRO OCC1([C@@H]([NH2+]Cc2nc3ccccn3c2Br)C2CC2)CCOCC1 ZINC000293971639 655363583 /nfs/dbraw/zinc/36/35/83/655363583.db2.gz KDBFMPKFUBNIBW-INIZCTEOSA-N 1 0 394.313 2.754 20 0 GFADRO Cc1ccc(-n2nc(Br)cc2C(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)cc1 ZINC000186704879 655371040 /nfs/dbraw/zinc/37/10/40/655371040.db2.gz XUIGXIKPTNCTNF-GXTWGEPZSA-N 1 0 377.286 2.671 20 0 GFADRO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@H]1N2C(=O)c1nn(C)cc1Br ZINC000298211119 655373207 /nfs/dbraw/zinc/37/32/07/655373207.db2.gz YKGHCECDMTVCKQ-XJKSGUPXSA-N 1 0 389.297 2.939 20 0 GFADRO C[C@](O)(CC[NH2+][C@H](C(N)=O)c1ccc(Br)cc1)c1ccccc1 ZINC000187668689 655376039 /nfs/dbraw/zinc/37/60/39/655376039.db2.gz ZTDNQYJCRYRAKS-WMZOPIPTSA-N 1 0 377.282 2.863 20 0 GFADRO CC(C)(C)OC(=O)NCC[NH2+]Cc1cccc(I)c1 ZINC000309941468 655379060 /nfs/dbraw/zinc/37/90/60/655379060.db2.gz GZGQSVMYAHSLOY-UHFFFAOYSA-N 1 0 376.238 2.906 20 0 GFADRO Cc1ccc(Br)nc1C(=O)NCCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000188277427 655379098 /nfs/dbraw/zinc/37/90/98/655379098.db2.gz VABBZMUZCIVKLP-OKILXGFUSA-N 1 0 384.318 2.772 20 0 GFADRO CCN(CCC[NH+]1CCCC1)S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000188260763 655379129 /nfs/dbraw/zinc/37/91/29/655379129.db2.gz TXJULOKASDPUEO-UHFFFAOYSA-N 1 0 375.878 2.745 20 0 GFADRO C[NH+]1CCN(c2ccc(NC(=O)c3ncc(Br)s3)cc2)CC1 ZINC000188452199 655379973 /nfs/dbraw/zinc/37/99/73/655379973.db2.gz BSSVTHBFERJFMX-UHFFFAOYSA-N 1 0 381.299 2.910 20 0 GFADRO CCC(CC)[C@H](CNS(=O)(=O)c1cc([N+](=O)[O-])c(F)cc1C)[NH+](C)C ZINC000327150015 655385903 /nfs/dbraw/zinc/38/59/03/655385903.db2.gz FINQHMUOUWPSPQ-HNNXBMFYSA-N 1 0 375.466 2.687 20 0 GFADRO CCC[NH+]1CCC(N2C(=O)N[C@H](c3ccc(Br)cc3)C2=O)CC1 ZINC000349146546 655388549 /nfs/dbraw/zinc/38/85/49/655388549.db2.gz AQNKEBMIAAVGPL-OAHLLOKOSA-N 1 0 380.286 2.916 20 0 GFADRO O=C1CN(Cc2cccc(Br)c2)C(=O)N1C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000349204749 655388563 /nfs/dbraw/zinc/38/85/63/655388563.db2.gz CBUBQZKONSASBF-AWEZNQCLSA-N 1 0 392.297 2.698 20 0 GFADRO O=C1N[C@@H](Cc2cc(Cl)cc(Cl)c2)C(=O)N1C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000349232636 655388710 /nfs/dbraw/zinc/38/87/10/655388710.db2.gz FYFYIENNKVBBMY-ZBEGNZNMSA-N 1 0 382.291 2.941 20 0 GFADRO Cc1nn(-c2cccc(Cl)c2)c(Cl)c1CN1CC[NH+](C[C@H](C)O)CC1 ZINC000189851250 655388768 /nfs/dbraw/zinc/38/87/68/655388768.db2.gz IDZSBAHYZDJUFO-ZDUSSCGKSA-N 1 0 383.323 2.986 20 0 GFADRO C[C@H](c1cccc(Br)c1)N1CC(=O)N(C2CC[NH+](C)CC2)C1=O ZINC000349269093 655388915 /nfs/dbraw/zinc/38/89/15/655388915.db2.gz RYARUQZOTLUMLK-GFCCVEGCSA-N 1 0 380.286 2.869 20 0 GFADRO C[C@H]1CCC[N@H+](CCN2C(=O)N[C@@H](c3ccc(Br)cc3)C2=O)C1 ZINC000349271446 655388921 /nfs/dbraw/zinc/38/89/21/655388921.db2.gz ORSVNNWNOLRYCS-WFASDCNBSA-N 1 0 380.286 2.774 20 0 GFADRO CC[C@@H](C)[N@H+](C)CCN1C(=O)N[C@@H](c2ccc(OC)c(Br)c2)C1=O ZINC000349409152 655390300 /nfs/dbraw/zinc/39/03/00/655390300.db2.gz XSWOURPOCLGTHT-ABAIWWIYSA-N 1 0 398.301 2.781 20 0 GFADRO C[N@@H+]1CCC[C@@H](N2CCN(CC(=O)Nc3cccc(Cl)c3Cl)CC2)C1 ZINC000363218025 655391710 /nfs/dbraw/zinc/39/17/10/655391710.db2.gz DXLMOJNOCDSDJF-CQSZACIVSA-N 1 0 385.339 2.644 20 0 GFADRO O=S1(=O)CC[C@@H]([NH2+]C2CCN(Cc3cnc(-c4cccs4)s3)CC2)C1 ZINC000365234687 655392569 /nfs/dbraw/zinc/39/25/69/655392569.db2.gz PHZNRQPXHTZMTF-CQSZACIVSA-N 1 0 397.591 2.613 20 0 GFADRO O=S1(=O)CC[C@@H]([NH2+]C2CCN(CCc3cccc(Cl)c3Cl)CC2)C1 ZINC000365310524 655393111 /nfs/dbraw/zinc/39/31/11/655393111.db2.gz VIGADKVFLQKZNF-OAHLLOKOSA-N 1 0 391.364 2.777 20 0 GFADRO Cc1nc(SCC(=O)NC[C@H]2CC[N@@H+](C)[C@@H]2c2cccc(Cl)c2)n[nH]1 ZINC000365697478 655395090 /nfs/dbraw/zinc/39/50/90/655395090.db2.gz YEZZWPWQFQYICJ-CZUORRHYSA-N 1 0 379.917 2.668 20 0 GFADRO COCc1c(Br)cccc1NC(=O)NC[C@@H]1CN(C2CC2)CCO1 ZINC000366579989 655400041 /nfs/dbraw/zinc/40/00/41/655400041.db2.gz LKYWILRRMRBNRO-CYBMUJFWSA-N 1 0 398.301 2.580 20 0 GFADRO O=C1CCCN1C[N@H+]1CC[C@H](Cc2cccc(I)c2)C1 ZINC000840109900 661134106 /nfs/dbraw/zinc/13/41/06/661134106.db2.gz ZBKZIRFHEFOPBY-CQSZACIVSA-N 1 0 384.261 2.736 20 0 GFADRO COc1cccc(CN(CC[NH+](C)C)C(=O)Cc2sc(=S)[nH]c2C)c1 ZINC000191956439 655401710 /nfs/dbraw/zinc/40/17/10/655401710.db2.gz GGJCDPMERPPTDL-UHFFFAOYSA-N 1 0 379.551 2.882 20 0 GFADRO C[NH2+]CCNC(=O)N(Cc1ccc(C)cc1Br)C[C@@H]1CCCO1 ZINC000418324774 655405456 /nfs/dbraw/zinc/40/54/56/655405456.db2.gz IDCZVIWDYCMPJW-HNNXBMFYSA-N 1 0 384.318 2.668 20 0 GFADRO O=C(NC[C@@H]1CCC[NH2+]1)N1CCC[C@@H]1c1ccc(I)cc1 ZINC000418357151 655405835 /nfs/dbraw/zinc/40/58/35/655405835.db2.gz CTBBELSAKAMDSX-LSDHHAIUSA-N 1 0 399.276 2.890 20 0 GFADRO O=c1oc2cc(Br)ccc2n1C[N@H+]1CCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000840117838 661135452 /nfs/dbraw/zinc/13/54/52/661135452.db2.gz CGRLXVAHDQPFOF-UMVBOHGHSA-N 1 0 381.270 2.940 20 0 GFADRO O=C(NCCCC[N@H+]1CCC[C@H]1CO)c1ccc(OC(F)(F)Cl)cc1 ZINC000194780402 655417486 /nfs/dbraw/zinc/41/74/86/655417486.db2.gz YNOMKSIKYIVUOC-AWEZNQCLSA-N 1 0 376.831 2.821 20 0 GFADRO CS(=O)(=O)N[C@H]1CCCC[C@@H]1C[NH2+]Cc1csc(Br)c1 ZINC000512903689 655418218 /nfs/dbraw/zinc/41/82/18/655418218.db2.gz DUSJYUUAMYKPOF-NEPJUHHUSA-N 1 0 381.361 2.708 20 0 GFADRO CC(C)C[C@H]([NH3+])c1noc(Cc2ccc(S(=O)(=O)N3CCCC3)s2)n1 ZINC000517935188 655419494 /nfs/dbraw/zinc/41/94/94/655419494.db2.gz NCOALZUIEJTLCD-ZDUSSCGKSA-N 1 0 384.527 2.552 20 0 GFADRO O=S1(=O)CC[C@H]([NH2+]Cc2cc(Br)c(Br)s2)C1 ZINC000227762576 655422963 /nfs/dbraw/zinc/42/29/63/655422963.db2.gz RRHIPNGTPVXMMQ-LURJTMIESA-N 1 0 389.134 2.550 20 0 GFADRO CCCC[C@@H](C[NH3+])NS(=O)(=O)c1cc(C(=O)OC)c(Cl)cc1Cl ZINC000236899441 655425254 /nfs/dbraw/zinc/42/52/54/655425254.db2.gz CNKWCJHGYYRALL-VIFPVBQESA-N 1 0 383.297 2.576 20 0 GFADRO COCC[NH2+]CC(=O)NCC(C)(C)Sc1ccc(Br)cc1 ZINC000237175341 655425864 /nfs/dbraw/zinc/42/58/64/655425864.db2.gz MNDNCQJBSZORIX-UHFFFAOYSA-N 1 0 375.332 2.672 20 0 GFADRO O=S(=O)(c1ccc(F)c(C(F)(F)F)c1)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000574277663 655427901 /nfs/dbraw/zinc/42/79/01/655427901.db2.gz YOFVLTPBDLXJQU-NWDGAFQWSA-N 1 0 380.407 2.855 20 0 GFADRO COc1ccc(Br)c(CNC(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000574297426 655428544 /nfs/dbraw/zinc/42/85/44/655428544.db2.gz WSBBFTASYDWBSK-YRGRVCCFSA-N 1 0 382.302 2.645 20 0 GFADRO CO[C@@H]1CCCN(CN2C(=O)C[C@](C)(c3ccc(Br)cc3)C2=O)C1 ZINC000246122215 655429208 /nfs/dbraw/zinc/42/92/08/655429208.db2.gz NQLCQSAFOBRIRQ-CRAIPNDOSA-N 1 0 395.297 2.534 20 0 GFADRO O=C(Nc1c[nH]cc(Br)c1=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000574790970 655430742 /nfs/dbraw/zinc/43/07/42/655430742.db2.gz IFOPIHGLIJITJP-ZDUSSCGKSA-N 1 0 376.254 2.598 20 0 GFADRO [NH3+]C1(CNS(=O)(=O)c2ccc(Br)c(C(F)(F)F)c2)CCC1 ZINC000574878252 655432668 /nfs/dbraw/zinc/43/26/68/655432668.db2.gz YWZMCXJSEDFNFG-UHFFFAOYSA-N 1 0 387.221 2.628 20 0 GFADRO CSCC[C@H]1NC(=S)N(C[C@]2(C)CCC[N@@H+]2Cc2ccccc2)C1=O ZINC000249119686 655433819 /nfs/dbraw/zinc/43/38/19/655433819.db2.gz GNOSZOKBWCYUES-APWZRJJASA-N 1 0 377.579 2.880 20 0 GFADRO O=C(c1cc[nH]c(=O)c1Br)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000575039227 655434581 /nfs/dbraw/zinc/43/45/81/655434581.db2.gz XGVZQEBYQDLBOT-FZMZJTMJSA-N 1 0 380.286 2.639 20 0 GFADRO [NH3+]C1C[C@H]2CC[C@@H](C1)C2NS(=O)(=O)c1cc(Br)ccc1Cl ZINC000575922355 655440002 /nfs/dbraw/zinc/44/00/02/655440002.db2.gz UJIXWDBMNCXQJB-FOCQTFQBSA-N 1 0 393.734 2.897 20 0 GFADRO C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)nc1)c1cncc(Br)c1 ZINC000575936009 655440353 /nfs/dbraw/zinc/44/03/53/655440353.db2.gz IPIXCMJZLJITMM-CYBMUJFWSA-N 1 0 377.286 2.927 20 0 GFADRO C[NH+]1CCN(c2ncccc2CNC(=O)/C=C\c2ccc(Cl)s2)CC1 ZINC000255908248 655440957 /nfs/dbraw/zinc/44/09/57/655440957.db2.gz OATBSUGVFFKQOY-ALCCZGGFSA-N 1 0 376.913 2.878 20 0 GFADRO [NH3+]CCCCC(=O)N1CCC(C(=O)Nc2ccccc2Br)CC1 ZINC000576033936 655442282 /nfs/dbraw/zinc/44/22/82/655442282.db2.gz FRBKIRUIENFNRH-UHFFFAOYSA-N 1 0 382.302 2.755 20 0 GFADRO O=C(CCOCC(F)(F)F)NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000576084935 655442804 /nfs/dbraw/zinc/44/28/04/655442804.db2.gz SARHYNYKZHRNEP-OAHLLOKOSA-N 1 0 376.444 2.689 20 0 GFADRO Cc1cccc(I)c1C(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000576109641 655443523 /nfs/dbraw/zinc/44/35/23/655443523.db2.gz ZDNUSEZLJHOTFQ-GXTWGEPZSA-N 1 0 384.261 2.718 20 0 GFADRO C[C@H]1CN(C(=O)c2cc3cc(Cl)sc3[nH]2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000576335134 655445816 /nfs/dbraw/zinc/44/58/16/655445816.db2.gz RRUQDLTWLVOTFP-SWLSCSKDSA-N 1 0 380.945 2.981 20 0 GFADRO CCN1CCC([NH+]2CCC(C(=O)Nc3cncc(Br)c3)CC2)CC1 ZINC000576528395 655448608 /nfs/dbraw/zinc/44/86/08/655448608.db2.gz IVNHLUHOHZRDSF-UHFFFAOYSA-N 1 0 395.345 2.979 20 0 GFADRO C[C@H]([NH2+]C[C@H](O)COc1cccc(Br)c1)C(=O)N1CCCC[C@H]1C ZINC000576577440 655449307 /nfs/dbraw/zinc/44/93/07/655449307.db2.gz VKMOYDLNDYZBHV-YCPHGPKFSA-N 1 0 399.329 2.568 20 0 GFADRO Cc1cc(Cl)ccc1Cc1cnc(NC(=O)NC[C@@H]2C[NH2+]CCO2)s1 ZINC000576685975 655450693 /nfs/dbraw/zinc/45/06/93/655450693.db2.gz MWOMIMMBCUDJSL-AWEZNQCLSA-N 1 0 380.901 2.806 20 0 GFADRO COc1cc(NC(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc(OC)c1Br ZINC000576925387 655454832 /nfs/dbraw/zinc/45/48/32/655454832.db2.gz TZYHCMOPXMQQKL-WDEREUQCSA-N 1 0 384.274 2.540 20 0 GFADRO CC[C@@H]1C[N@H+](C)CCN1C(=O)c1cc(=O)[nH]c2c(Br)cccc12 ZINC000577019301 655456136 /nfs/dbraw/zinc/45/61/36/655456136.db2.gz YFLHCVXVESWMLT-LLVKDONJSA-N 1 0 378.270 2.869 20 0 GFADRO C[NH+](C)C[C@H](NC(=O)c1csc(-c2nc[nH]n2)n1)c1ccc(Cl)cc1 ZINC000577392518 655458586 /nfs/dbraw/zinc/45/85/86/655458586.db2.gz FJQDFUXILJSVIO-LBPRGKRZSA-N 1 0 376.873 2.614 20 0 GFADRO CCCS(=O)(=O)N1CCC([NH2+]Cc2cc(O)cc(C(F)(F)F)c2)CC1 ZINC000577445601 655459692 /nfs/dbraw/zinc/45/96/92/655459692.db2.gz BNQMOJJFHDHUSA-UHFFFAOYSA-N 1 0 380.432 2.705 20 0 GFADRO CC1(C)CN(C(=O)[C@H]2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)CC[NH2+]1 ZINC000577620695 655463041 /nfs/dbraw/zinc/46/30/41/655463041.db2.gz HQZDQNVASBPVJZ-OAHLLOKOSA-N 1 0 384.307 2.808 20 0 GFADRO CC[NH+](CC)CC[C@@H](CO)NC(=O)C(C)(C)c1cccc(Br)c1 ZINC000577661318 655464023 /nfs/dbraw/zinc/46/40/23/655464023.db2.gz FCJOUZGMBNLEIK-INIZCTEOSA-N 1 0 385.346 2.936 20 0 GFADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)C1(c2ccc(Br)cc2)CCC1 ZINC000264469250 655464383 /nfs/dbraw/zinc/46/43/83/655464383.db2.gz UAILQZDRPPIUKB-OAHLLOKOSA-N 1 0 394.357 2.623 20 0 GFADRO Cc1nc2ccc(S(=O)(=O)N3CC[C@@H](C4CC[NH+](C)CC4)C3)cc2s1 ZINC000577685653 655464624 /nfs/dbraw/zinc/46/46/24/655464624.db2.gz UTWGNDOOPKSURZ-OAHLLOKOSA-N 1 0 379.551 2.957 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)NCCCC[NH+](C)C ZINC000264485998 655464847 /nfs/dbraw/zinc/46/48/47/655464847.db2.gz YUVPUCZEZQPHEX-HNNXBMFYSA-N 1 0 386.583 2.809 20 0 GFADRO O=C(c1cc(Cl)c(F)cc1Cl)N1CC[NH+]([C@H]2CCNC(=O)CC2)CC1 ZINC000577712980 655465538 /nfs/dbraw/zinc/46/55/38/655465538.db2.gz GBTCJZQTLKQTHZ-LLVKDONJSA-N 1 0 388.270 2.559 20 0 GFADRO COCC[NH2+]C1CCN([C@@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)CC1 ZINC000577737190 655466109 /nfs/dbraw/zinc/46/61/09/655466109.db2.gz KQNNVKNTXBHRIA-QGZVFWFLSA-N 1 0 386.323 2.799 20 0 GFADRO [NH3+][C@H]1CCCC[C@H]1CC(=O)NCCCNC(=O)c1ccc(Br)cc1 ZINC000577746569 655466375 /nfs/dbraw/zinc/46/63/75/655466375.db2.gz XLUYEAVBAGNFNJ-HOCLYGCPSA-N 1 0 396.329 2.593 20 0 GFADRO CN(CCCN1CC[NH+](C)CC1)C(=O)/C=C/c1ccccc1Br ZINC000264632118 655467443 /nfs/dbraw/zinc/46/74/43/655467443.db2.gz OGBBYUMNYYOZMK-CMDGGOBGSA-N 1 0 380.330 2.558 20 0 GFADRO CC(C)(CS(C)(=O)=O)[NH2+]Cc1cnn(-c2ccc(C(F)(F)F)cc2)c1 ZINC000577919066 655469463 /nfs/dbraw/zinc/46/94/63/655469463.db2.gz MSXFYOQATPGJRK-UHFFFAOYSA-N 1 0 375.416 2.804 20 0 GFADRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N1CCO[C@H](c2cccc(Br)c2)C1 ZINC000577942493 655469901 /nfs/dbraw/zinc/46/99/01/655469901.db2.gz JSZJBBBWNAIZMK-WQVCFCJDSA-N 1 0 382.302 2.530 20 0 GFADRO C[C@@H]1CC[C@H]([NH2+]CC(=O)Nc2cccc(Br)c2)[C@@H](n2cncn2)C1 ZINC000577965114 655470527 /nfs/dbraw/zinc/47/05/27/655470527.db2.gz PQPMTMDHDPXEEF-KCXAZCMYSA-N 1 0 392.301 2.999 20 0 GFADRO C[NH+]1CCC(NC(=O)CCC[S@](=O)c2ccc(Br)cc2)CC1 ZINC000264793910 655470729 /nfs/dbraw/zinc/47/07/29/655470729.db2.gz XXJRVBJJKDZEFY-QFIPXVFZSA-N 1 0 387.343 2.547 20 0 GFADRO COCC[NH2+]C1CCN(C(=O)Nc2c(F)cc(F)cc2Br)CC1 ZINC000578019942 655471427 /nfs/dbraw/zinc/47/14/27/655471427.db2.gz LXZVBDGEKWXYFN-UHFFFAOYSA-N 1 0 392.244 2.960 20 0 GFADRO CS(=O)(=O)c1ccc(NC(=O)C[NH2+][C@@H]2CCCC[C@@H]2C(F)(F)F)cc1 ZINC000578190679 655473714 /nfs/dbraw/zinc/47/37/14/655473714.db2.gz ZWEBPDMKKXYBDM-UONOGXRCSA-N 1 0 378.416 2.739 20 0 GFADRO C[NH+](C)C1(CNC(=O)c2ccc(Br)cc2Cl)CCOCC1 ZINC000265039652 655476370 /nfs/dbraw/zinc/47/63/70/655476370.db2.gz QCVAVXCBSVPJLU-UHFFFAOYSA-N 1 0 375.694 2.943 20 0 GFADRO O=C(Cc1ccc(Br)s1)NCC1([NH+]2CCCC2)CCOCC1 ZINC000265045914 655476492 /nfs/dbraw/zinc/47/64/92/655476492.db2.gz ARESNJFDGUIZNA-UHFFFAOYSA-N 1 0 387.343 2.814 20 0 GFADRO O=S(=O)(Cc1ccccc1C(F)(F)F)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000578322931 655476759 /nfs/dbraw/zinc/47/67/59/655476759.db2.gz SNNVBZBYBXZDEX-UONOGXRCSA-N 1 0 376.444 2.857 20 0 GFADRO C[C@H](NC(=O)CN1CC[NH+](C2CCC2)CC1)c1ccc(Br)cc1 ZINC000265060510 655476758 /nfs/dbraw/zinc/47/67/58/655476758.db2.gz YSHKCDQXONGSSK-AWEZNQCLSA-N 1 0 380.330 2.796 20 0 GFADRO CCOCCOc1ccc(Br)cc1C[NH2+]C[C@](C)(O)CCOC ZINC000265244972 655479527 /nfs/dbraw/zinc/47/95/27/655479527.db2.gz MPDBZOQAHPLDDS-QGZVFWFLSA-N 1 0 390.318 2.742 20 0 GFADRO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1ccc2nc(SC)sc2c1 ZINC000265387348 655482513 /nfs/dbraw/zinc/48/25/13/655482513.db2.gz MXPRUVTUDLILJE-NSHDSACASA-N 1 0 380.539 2.803 20 0 GFADRO CS(=O)(=O)[C@@H]1CCC[C@@H]([NH2+]C[C@@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000578619196 655483119 /nfs/dbraw/zinc/48/31/19/655483119.db2.gz DXPYDXKHXLIJHS-MGPQQGTHSA-N 1 0 396.336 2.679 20 0 GFADRO O=C(C[C@H]1CCC[NH2+]C1)Nc1cc(-c2cc(F)cc(Br)c2)[nH]n1 ZINC000578669006 655484272 /nfs/dbraw/zinc/48/42/72/655484272.db2.gz XLEMTBSQVLZVDA-SNVBAGLBSA-N 1 0 381.249 3.307 20 0 GFADRO O[C@H](C[NH2+]Cc1cc(Br)ccc1OC(F)F)C1CCOCC1 ZINC000265496238 655484555 /nfs/dbraw/zinc/48/45/55/655484555.db2.gz CDYPCCWICLTIQN-CYBMUJFWSA-N 1 0 380.229 2.928 20 0 GFADRO O=S(=O)(c1ccc(Cl)s1)N1CCCN(CC[NH+]2CCCCC2)CC1 ZINC000265497541 655484584 /nfs/dbraw/zinc/48/45/84/655484584.db2.gz BBAZYUPOJXLRKW-UHFFFAOYSA-N 1 0 391.990 2.584 20 0 GFADRO Cc1ncc2c(n1)CC[C@@H]([NH2+]C[C@@H](O)COc1cc(Cl)ccc1Cl)C2 ZINC000578759097 655486478 /nfs/dbraw/zinc/48/64/78/655486478.db2.gz PDNNDBYDGVLHPT-HUUCEWRRSA-N 1 0 382.291 2.979 20 0 GFADRO CC[NH+](CC)CCN(C(=O)Cc1ccon1)c1ccc(Br)cn1 ZINC000578775593 655486743 /nfs/dbraw/zinc/48/67/43/655486743.db2.gz CTCRISNPEZZBBZ-UHFFFAOYSA-N 1 0 381.274 2.750 20 0 GFADRO O=C(NC[C@H]1C[NH2+]CCO1)N1CCC(Cc2cc(Cl)ccc2Cl)CC1 ZINC000578865161 655488237 /nfs/dbraw/zinc/48/82/37/655488237.db2.gz UMUGYIHUYIJQRA-MRXNPFEDSA-N 1 0 386.323 2.946 20 0 GFADRO COc1cc(Br)c(C(=O)N2CC[C@H]([NH+]3CCCC3)C2)cc1OC ZINC000578961256 655490222 /nfs/dbraw/zinc/49/02/22/655490222.db2.gz MMJJGOSSRUCESU-LBPRGKRZSA-N 1 0 383.286 2.777 20 0 GFADRO COC1(C)CC[NH+](CC(=O)N(C)CCOc2ccc(Br)cc2)CC1 ZINC000579037435 655492389 /nfs/dbraw/zinc/49/23/89/655492389.db2.gz FCNUCBVGZFIMBG-UHFFFAOYSA-N 1 0 399.329 2.787 20 0 GFADRO OC[C@@H]([NH2+]Cc1cnn(-c2ccc(Br)cc2)c1)[C@@H]1CCCOC1 ZINC000579093642 655493682 /nfs/dbraw/zinc/49/36/82/655493682.db2.gz WVVHWVPYQJTYPI-RHSMWYFYSA-N 1 0 380.286 2.512 20 0 GFADRO COCC[NH2+]C1CCN(C(=O)N[C@@H](C)c2nc(C(F)(F)F)cs2)CC1 ZINC000579117187 655494255 /nfs/dbraw/zinc/49/42/55/655494255.db2.gz NSXXCVYOYFRJGC-JTQLQIEISA-N 1 0 380.436 2.633 20 0 GFADRO CCOC[C@@H](O)C[NH2+][C@@H]1CCCN(c2c(C)cc(Br)cc2C)C1=O ZINC000579229396 655496109 /nfs/dbraw/zinc/49/61/09/655496109.db2.gz VZODVEVDFBQMEZ-JKSUJKDBSA-N 1 0 399.329 2.548 20 0 GFADRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)Nc3cnn(-c4ncc(Cl)cc4Cl)c3)C[C@@H]12 ZINC000579448738 655499853 /nfs/dbraw/zinc/49/98/53/655499853.db2.gz PPLFSBFOPQUGRT-MRCXROJRSA-N 1 0 381.267 2.775 20 0 GFADRO O=C(COC1CC[NH2+]CC1)N1CCC(Oc2cccc(Br)c2)CC1 ZINC000579462033 655500079 /nfs/dbraw/zinc/50/00/79/655500079.db2.gz WXQYAOHSSZEXRK-UHFFFAOYSA-N 1 0 397.313 2.588 20 0 GFADRO CC(=O)Nc1ccc(OC[C@H](O)C[NH2+]Cc2csc(Br)c2)cc1 ZINC000579512769 655500713 /nfs/dbraw/zinc/50/07/13/655500713.db2.gz SMUKOQMWZIBXEY-CQSZACIVSA-N 1 0 399.310 2.999 20 0 GFADRO CC[NH+](CC)C[C@H](C)NC(=O)N(C)C[C@H](O)c1cccc(Br)c1 ZINC000840272184 661150943 /nfs/dbraw/zinc/15/09/43/661150943.db2.gz LJZCDELDYMKOBD-BBRMVZONSA-N 1 0 386.334 2.854 20 0 GFADRO Cc1cc(S(=O)(=O)NCC[NH2+][C@H]2CCc3cccnc3CC2)c(C)s1 ZINC000579822052 655504326 /nfs/dbraw/zinc/50/43/26/655504326.db2.gz ASGNBFKHPRKMEH-INIZCTEOSA-N 1 0 379.551 2.575 20 0 GFADRO C[C@H](CNC(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1)c1c(Cl)cccc1Cl ZINC000579827229 655504385 /nfs/dbraw/zinc/50/43/85/655504385.db2.gz DJEKVEUTPZEEDI-VXGBXAGGSA-N 1 0 382.295 2.870 20 0 GFADRO O=C([C@H]1[NH2+]CCc2ccccc21)N1CCC(n2cc(Br)cn2)CC1 ZINC000580076063 655508043 /nfs/dbraw/zinc/50/80/43/655508043.db2.gz PRSODXUOUNOOQR-KRWDZBQOSA-N 1 0 389.297 2.696 20 0 GFADRO CNC(=O)c1cccc(C[NH2+]C[C@H](O)COc2c(Cl)cccc2Cl)c1 ZINC000580184660 655509416 /nfs/dbraw/zinc/50/94/16/655509416.db2.gz NGLGDNWCSPTCAB-AWEZNQCLSA-N 1 0 383.275 2.883 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)N(C)C[C@@H](O)c2cccc(Br)c2)CC[N@@H+]1C ZINC000840309831 661153487 /nfs/dbraw/zinc/15/34/87/661153487.db2.gz MWENJIVKMUQUPP-UHOFOFEASA-N 1 0 384.318 2.607 20 0 GFADRO CCC[N@H+](CC)CCNC(=O)N(C)C[C@H](O)c1cccc(Br)c1 ZINC000840315301 661153690 /nfs/dbraw/zinc/15/36/90/661153690.db2.gz WJIOGYNIHBHAOI-INIZCTEOSA-N 1 0 386.334 2.856 20 0 GFADRO O=C(c1ccc(I)c(Cl)c1)N1CC[C@H]([NH+]2CCC2)C1 ZINC000702293174 655521649 /nfs/dbraw/zinc/52/16/49/655521649.db2.gz URPHDAJINXTDEN-NSHDSACASA-N 1 0 390.652 2.865 20 0 GFADRO Cn1c(Cl)c(Cl)cc1C(=O)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000702626896 655521658 /nfs/dbraw/zinc/52/16/58/655521658.db2.gz LQTZNNXARDNJPX-SFHVURJKSA-N 1 0 382.291 2.699 20 0 GFADRO C[C@]12C[NH2+]C[C@H]1CN(C(=O)c1scc(Br)c1Br)C2 ZINC000703602429 655521960 /nfs/dbraw/zinc/52/19/60/655521960.db2.gz XQXQFQRYISGKDW-JVXZTZIISA-N 1 0 394.132 2.955 20 0 GFADRO CCS(=O)(=O)C[C@@H](C)[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)CC(C)(C)C1 ZINC000710446462 655522447 /nfs/dbraw/zinc/52/24/47/655522447.db2.gz LUGYVHADICXTMD-CABCVRRESA-N 1 0 376.563 2.825 20 0 GFADRO Cn1cc(C[NH2+]C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)c(Br)n1 ZINC000712461234 655522682 /nfs/dbraw/zinc/52/26/82/655522682.db2.gz GEYYJDTYEMKPCP-GFCCVEGCSA-N 1 0 387.322 2.919 20 0 GFADRO C[N@@H+]1CCN(C(=O)c2ccc(I)c(O)c2)CCC1(C)C ZINC000712656719 655522762 /nfs/dbraw/zinc/52/27/62/655522762.db2.gz HOXKFOFEINQZFR-UHFFFAOYSA-N 1 0 388.249 2.553 20 0 GFADRO COc1nsc(C[NH2+][C@@H]2CCCN3CCSC[C@H]23)c1Br ZINC000720494192 655524502 /nfs/dbraw/zinc/52/45/02/655524502.db2.gz HXXGRARBAIQBEW-NXEZZACHSA-N 1 0 378.361 2.584 20 0 GFADRO C[C@H](C[C@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]CC(C)(C)CS(C)(=O)=O ZINC000723848079 655525591 /nfs/dbraw/zinc/52/55/91/655525591.db2.gz QLTJWURLVWVRPZ-HUUCEWRRSA-N 1 0 376.563 2.825 20 0 GFADRO CCCC[N@@H+]1CCCC[C@@H]1CNS(=O)(=O)c1c(Cl)nc2ccccn21 ZINC000726188503 655532057 /nfs/dbraw/zinc/53/20/57/655532057.db2.gz VUWGVFPELKAIRH-CQSZACIVSA-N 1 0 384.933 2.921 20 0 GFADRO C[C@@H](NC(=S)NCc1ccnc(N2CC[NH+](C)CC2)c1)c1cccs1 ZINC000726465371 655535054 /nfs/dbraw/zinc/53/50/54/655535054.db2.gz WNEJCUYXCVXKRK-CQSZACIVSA-N 1 0 375.567 2.620 20 0 GFADRO C[C@H](NC(=S)NCc1cccnc1N1CC[NH+](C)CC1)c1cccs1 ZINC000726481341 655535408 /nfs/dbraw/zinc/53/54/08/655535408.db2.gz RWPQDESHBRDKFA-AWEZNQCLSA-N 1 0 375.567 2.620 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CNC(=S)NNc1ccc(OCC(F)(F)F)cc1 ZINC000727289581 655544165 /nfs/dbraw/zinc/54/41/65/655544165.db2.gz DSLFBCYJJVFYGF-CYBMUJFWSA-N 1 0 376.448 2.903 20 0 GFADRO C[C@@](O)(C[NH+]1CCN(c2ccc(Br)cn2)CC1)c1ccccc1 ZINC000727828612 655549963 /nfs/dbraw/zinc/54/99/63/655549963.db2.gz XSFWHXQAUTXJIG-GOSISDBHSA-N 1 0 376.298 2.874 20 0 GFADRO CC[NH+](CC)CC1CCN(c2ncnc3c2c(Br)nn3C)CC1 ZINC000728050573 655552004 /nfs/dbraw/zinc/55/20/04/655552004.db2.gz MRECYNYDVYZKRN-UHFFFAOYSA-N 1 0 381.322 2.684 20 0 GFADRO C[C@H](CNS(=O)(=O)c1c(Cl)nc2sccn21)[N@@H+]1CCCC[C@H]1C ZINC000728580531 655556794 /nfs/dbraw/zinc/55/67/94/655556794.db2.gz HYIULUWVWZCZTM-GHMZBOCLSA-N 1 0 376.935 2.590 20 0 GFADRO C[C@@H](CNS(=O)(=O)c1c(Cl)nc2sccn21)[N@@H+]1CCCC[C@H]1C ZINC000728580532 655556809 /nfs/dbraw/zinc/55/68/09/655556809.db2.gz HYIULUWVWZCZTM-MNOVXSKESA-N 1 0 376.935 2.590 20 0 GFADRO CN(CC[N@H+](C)C1CCCCC1)S(=O)(=O)c1c(Cl)nc2sccn21 ZINC000728586286 655557340 /nfs/dbraw/zinc/55/73/40/655557340.db2.gz KDNGKZOTPRGIIQ-UHFFFAOYSA-N 1 0 390.962 2.934 20 0 GFADRO COC(=O)c1ccc(OCC[NH2+]C[C@@H](O)c2cccc(Br)c2)cc1 ZINC000731217225 655582479 /nfs/dbraw/zinc/58/24/79/655582479.db2.gz BCPZYEQPKSFFOV-QGZVFWFLSA-N 1 0 394.265 2.938 20 0 GFADRO Cc1[nH]nc(C(=O)N(C)c2ccc(OCC[NH+](C)C)cc2)c1Br ZINC000732134553 655592025 /nfs/dbraw/zinc/59/20/25/655592025.db2.gz BVESZFNWAZPNSJ-UHFFFAOYSA-N 1 0 381.274 2.698 20 0 GFADRO CSC[C@H](C)C(=O)OCC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000733497928 655616402 /nfs/dbraw/zinc/61/64/02/655616402.db2.gz QXNDDXTUVOVXML-AWEZNQCLSA-N 1 0 382.551 2.716 20 0 GFADRO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]CCc1ccc(C)cc1 ZINC000734847546 655635409 /nfs/dbraw/zinc/63/54/09/655635409.db2.gz NUUILZBYRFGTKZ-INIZCTEOSA-N 1 0 381.929 2.845 20 0 GFADRO C[NH+](C)CCOC1CCN(Cn2nc(Cc3cccs3)oc2=S)CC1 ZINC000738210206 655687199 /nfs/dbraw/zinc/68/71/99/655687199.db2.gz PSXBORIDKRNYJM-UHFFFAOYSA-N 1 0 382.555 2.858 20 0 GFADRO CCS(=O)(=O)c1ccc2oc(=S)n(CN3CC[C@@H](C[NH+](C)C)C3)c2c1 ZINC000738226695 655687752 /nfs/dbraw/zinc/68/77/52/655687752.db2.gz YXJAJTZJYSIURK-ZDUSSCGKSA-N 1 0 383.539 2.598 20 0 GFADRO C[C@@H]1C[C@H](C)[N@H+](CN2C(=O)N[C@@](C)(c3ccc(Br)cc3)C2=O)C1 ZINC000740862587 655700041 /nfs/dbraw/zinc/70/00/41/655700041.db2.gz YHUKBSRRVABSRR-PEBVRCNWSA-N 1 0 380.286 2.904 20 0 GFADRO C[C@H]1C[C@@H](NC(=O)Nc2cc3c(cc2Br)OCCO3)CC[N@@H+]1C ZINC000741752479 655707877 /nfs/dbraw/zinc/70/78/77/655707877.db2.gz STESYLXYZHPZMW-QWRGUYRKSA-N 1 0 384.274 2.825 20 0 GFADRO C[C@H](NC(=O)/C=C/c1ccc(I)o1)C(C)(C)C[NH+](C)C ZINC000742185645 655711561 /nfs/dbraw/zinc/71/15/61/655711561.db2.gz RVQBZWFQRTVYAV-DJYGCBNOSA-N 1 0 390.265 2.990 20 0 GFADRO O=C(NC1CC[NH+](C[C@H]2CCCO2)CC1)c1ccc(Br)c(F)c1 ZINC000742833847 655722559 /nfs/dbraw/zinc/72/25/59/655722559.db2.gz IWKPVGJRNXUMHA-CQSZACIVSA-N 1 0 385.277 2.961 20 0 GFADRO C[C@@H](CNC(=S)NC1CC[NH+](C)CC1)Oc1ccc(Br)cc1 ZINC000743024023 655724947 /nfs/dbraw/zinc/72/49/47/655724947.db2.gz YJTWTVWILLBRHI-LBPRGKRZSA-N 1 0 386.359 2.775 20 0 GFADRO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)Nc1ccc(Cl)c(C[S@@](C)=O)c1 ZINC000743417276 655728884 /nfs/dbraw/zinc/72/88/84/655728884.db2.gz VCODXOQRHSEQRD-CRICUBBOSA-N 1 0 386.945 2.950 20 0 GFADRO CC(C)[C@H](C[NH+](C)C)NC(=O)CN1C(=S)N=NC1c1ccc(Cl)cc1 ZINC000743587883 655730140 /nfs/dbraw/zinc/73/01/40/655730140.db2.gz TZSRYKHYIOOGKV-AWEZNQCLSA-N 1 0 381.933 2.590 20 0 GFADRO C[C@H]1CCC[N@@H+]1CCNC(=O)C(=O)Nc1ccccc1SC(F)(F)F ZINC000743978880 655733445 /nfs/dbraw/zinc/73/34/45/655733445.db2.gz AMSPGMLRWDVASE-NSHDSACASA-N 1 0 375.416 2.838 20 0 GFADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@@H]1CC[C@@H]2SCCS[C@H]12 ZINC000840732586 661180416 /nfs/dbraw/zinc/18/04/16/661180416.db2.gz FHCZHLPHZQBEBJ-IKVITTDRSA-N 1 0 389.384 2.969 20 0 GFADRO C[N@H+](CC1CC1)C[C@@H]1CCN(S(=O)(=O)c2ccc(Cl)nc2Cl)C1 ZINC000746052958 655757912 /nfs/dbraw/zinc/75/79/12/655757912.db2.gz ANFLZGWKNXPNLI-LBPRGKRZSA-N 1 0 378.325 2.741 20 0 GFADRO Cc1cccc(N2CC[NH+](CCC(=O)NCCSC(F)(F)F)CC2)c1 ZINC000746129387 655758595 /nfs/dbraw/zinc/75/85/95/655758595.db2.gz IFMIYRKGPIJYIR-UHFFFAOYSA-N 1 0 375.460 2.876 20 0 GFADRO C[N@H+](CC1CC1)C[C@H]1CCN(Cn2c3ccc(Br)cc3oc2=O)C1 ZINC000746383928 655760738 /nfs/dbraw/zinc/76/07/38/655760738.db2.gz ZJHYCDMPEQHRKJ-CQSZACIVSA-N 1 0 394.313 2.978 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2Cn1ncc(Br)c1C1CC1 ZINC000746648915 655765522 /nfs/dbraw/zinc/76/55/22/655765522.db2.gz LSVJYOVKOFLOQQ-VNQPRFMTSA-N 1 0 383.334 2.664 20 0 GFADRO CC[NH+](CC)CCO[C@H]1CCN(S(=O)(=O)c2cnc(Cl)c(Cl)c2)C1 ZINC000747286073 655776288 /nfs/dbraw/zinc/77/62/88/655776288.db2.gz PAELDBZVHGBEOC-LBPRGKRZSA-N 1 0 396.340 2.510 20 0 GFADRO O=S(=O)(NC1CC[NH+](C[C@@H]2CC2(Cl)Cl)CC1)c1ccc(F)cc1 ZINC000747670199 655781631 /nfs/dbraw/zinc/78/16/31/655781631.db2.gz LAMVWPLZTINVEG-NSHDSACASA-N 1 0 381.300 2.762 20 0 GFADRO O[C@@H](CNC1(c2cccc(Br)c2)CCOCC1)C[NH+]1CCCC1 ZINC000747682222 655782021 /nfs/dbraw/zinc/78/20/21/655782021.db2.gz VMKQHRCGDWVSJK-KRWDZBQOSA-N 1 0 383.330 2.501 20 0 GFADRO C[NH+](C)CCCNC(=S)N1CCO[C@H](c2cccc(Br)c2)C1 ZINC000748596047 655792518 /nfs/dbraw/zinc/79/25/18/655792518.db2.gz MOXBXZGBOKSWNJ-HNNXBMFYSA-N 1 0 386.359 2.649 20 0 GFADRO C[NH+](C)[C@]1(CNC(=O)NC[C@@H](O)c2cc(Cl)cc(Cl)c2)CCSC1 ZINC000748645952 655793306 /nfs/dbraw/zinc/79/33/06/655793306.db2.gz CXBZQNMLZBVHFN-ZBFHGGJFSA-N 1 0 392.352 2.763 20 0 GFADRO COC1CC[NH+](CCNC(=O)/C=C\c2ccc(C)cc2Br)CC1 ZINC000750860670 655818174 /nfs/dbraw/zinc/81/81/74/655818174.db2.gz GLBQXOZNAUQUSH-WAYWQWQTSA-N 1 0 381.314 2.998 20 0 GFADRO Cc1cc(CCC(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)ccc1Br ZINC000751366341 655825702 /nfs/dbraw/zinc/82/57/02/655825702.db2.gz XXLIKIZAZSPSRQ-HZPDHXFCSA-N 1 0 381.314 2.670 20 0 GFADRO O[C@@H](C[NH2+][C@@H]1CCCN(c2ncccn2)C1)c1ccccc1Br ZINC000751574907 655831216 /nfs/dbraw/zinc/83/12/16/655831216.db2.gz KGXSNRQUDJJSJZ-CJNGLKHVSA-N 1 0 377.286 2.531 20 0 GFADRO O=C(CCCC[NH+]1CCCC1)NCc1nc2cc(Br)cnc2[nH]1 ZINC000754315764 655866333 /nfs/dbraw/zinc/86/63/33/655866333.db2.gz NBGKCAQKRBRDRS-UHFFFAOYSA-N 1 0 380.290 2.603 20 0 GFADRO C[C@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+]CCC(C)(C)S(C)(=O)=O ZINC000840875791 661197528 /nfs/dbraw/zinc/19/75/28/661197528.db2.gz HVGNISQYNGIIJP-GJZGRUSLSA-N 1 0 376.563 2.825 20 0 GFADRO O=c1c(Br)nn(CN2CCC[C@@H]2C[NH+]2CCCC2)c2ccccc12 ZINC000755742467 655888269 /nfs/dbraw/zinc/88/82/69/655888269.db2.gz BQMDXVXSXXMYTB-CQSZACIVSA-N 1 0 391.313 2.677 20 0 GFADRO CC[N@H+](CCNC(=O)NC[C@@H](O)c1ccccc1Cl)CCC(F)(F)F ZINC000755870757 655890151 /nfs/dbraw/zinc/89/01/51/655890151.db2.gz WZHXLGWVJNVYAU-CQSZACIVSA-N 1 0 381.826 2.947 20 0 GFADRO Cc1ccc(N2N=C(Br)C[C@H]2C(=O)NCC2CC[NH+](C)CC2)cc1 ZINC000756093536 655894583 /nfs/dbraw/zinc/89/45/83/655894583.db2.gz HSMHICOGCDCSDZ-INIZCTEOSA-N 1 0 393.329 2.740 20 0 GFADRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)Nc1ccccc1I ZINC000757790714 655916751 /nfs/dbraw/zinc/91/67/51/655916751.db2.gz RTIQONXXUULOAH-QMTHXVAHSA-N 1 0 385.249 2.895 20 0 GFADRO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]C[C@@]1(C)CCCS1 ZINC000758487519 655933996 /nfs/dbraw/zinc/93/39/96/655933996.db2.gz UPYBYPMGJZHPLN-SWLSCSKDSA-N 1 0 377.963 2.580 20 0 GFADRO CC[C@H](CO)[NH+]1CCN(C(=O)/C=C/c2ccc(C)cc2Br)CC1 ZINC000759634339 655959702 /nfs/dbraw/zinc/95/97/02/655959702.db2.gz VPNLKTLTIJKYGZ-FYCOFBDGSA-N 1 0 381.314 2.686 20 0 GFADRO CC[C@@H]([NH2+]C[C@@H](O)c1ccc(Cl)c(F)c1)c1cccc(S(N)(=O)=O)c1 ZINC000759864179 655965310 /nfs/dbraw/zinc/96/53/10/655965310.db2.gz FADUGTKBXPDVHG-IAGOWNOFSA-N 1 0 386.876 2.901 20 0 GFADRO CC[C@@H](CNC(=O)c1cnn(C)c1Br)[N@@H+]1CCc2ccccc2C1 ZINC000760176512 655971042 /nfs/dbraw/zinc/97/10/42/655971042.db2.gz CNJISEDGNRFBPL-HNNXBMFYSA-N 1 0 391.313 2.749 20 0 GFADRO Cn1ncc(C(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)c1Br ZINC000760242705 655973524 /nfs/dbraw/zinc/97/35/24/655973524.db2.gz HCIPXUFNMQHTRM-CQSZACIVSA-N 1 0 383.334 2.911 20 0 GFADRO C[NH+]1CCC(CNC(=S)NCCOc2cccc(Br)c2)CC1 ZINC000760478431 655982149 /nfs/dbraw/zinc/98/21/49/655982149.db2.gz KCDOWCBYRPPUSD-UHFFFAOYSA-N 1 0 386.359 2.634 20 0 GFADRO CC(C)[NH+](CCS[C@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1)C(C)C ZINC000762198999 656035963 /nfs/dbraw/zinc/03/59/63/656035963.db2.gz KIRXPTHTTNRISV-CQSZACIVSA-N 1 0 387.571 2.513 20 0 GFADRO C[C@@H](C1=CC[N@H+](C)CC1)N1C(=O)CN(Cc2cccc(Br)c2)C1=O ZINC000762318809 656039155 /nfs/dbraw/zinc/03/91/55/656039155.db2.gz YTYQWEXPOZTUEQ-ZDUSSCGKSA-N 1 0 392.297 2.864 20 0 GFADRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)N[C@@H]2CC[C@H]3SCCS[C@H]23)C1 ZINC000762621916 656051894 /nfs/dbraw/zinc/05/18/94/656051894.db2.gz ANZRZNQPRUYZGV-QBPKDAKJSA-N 1 0 387.615 2.508 20 0 GFADRO O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)N[C@@H]1CC[C@@H]2SCCS[C@@H]12 ZINC000762635717 656053774 /nfs/dbraw/zinc/05/37/74/656053774.db2.gz ZTSRHFRYDIMVLP-BDXSIMOUSA-N 1 0 377.579 2.940 20 0 GFADRO Cc1sc(Cl)nc1C(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000762902058 656063266 /nfs/dbraw/zinc/06/32/66/656063266.db2.gz UTIIJSNFUDJOIB-OAHLLOKOSA-N 1 0 379.913 2.992 20 0 GFADRO C[NH+](C)CCN(Cc1ccccn1)C(=O)N[C@@H]1CC[C@H]2SCCS[C@H]12 ZINC000763059929 656069738 /nfs/dbraw/zinc/06/97/38/656069738.db2.gz FYTUMIJDJYSNOR-BRWVUGGUSA-N 1 0 380.583 2.534 20 0 GFADRO C[C@H](CNC(=O)c1ccnc(Cl)c1I)[NH+]1CCCC1 ZINC000763749728 656092419 /nfs/dbraw/zinc/09/24/19/656092419.db2.gz RNDITQYQYFDOSI-SECBINFHSA-N 1 0 393.656 2.554 20 0 GFADRO O=C(COc1ccccc1Br)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000763996256 656098727 /nfs/dbraw/zinc/09/87/27/656098727.db2.gz OBHPJCMQCVHGPA-HNNXBMFYSA-N 1 0 397.313 2.588 20 0 GFADRO C[C@H]1C[C@@H](NC(=O)c2ccnc(Cl)c2I)CC[N@@H+]1C ZINC000764367588 656109313 /nfs/dbraw/zinc/10/93/13/656109313.db2.gz QMIMHEGKPDNAPA-IUCAKERBSA-N 1 0 393.656 2.552 20 0 GFADRO Cn1ncc(C(=O)N2C[C@H]3CCC[N@@H+]3Cc3ccccc32)c1Br ZINC000765000693 656125339 /nfs/dbraw/zinc/12/53/39/656125339.db2.gz NSNNPZZZIBRHIB-CYBMUJFWSA-N 1 0 375.270 2.807 20 0 GFADRO C[NH+](C)[C@]1(CNC(=O)N2Cc3ccc(Br)cc3C2)CCSC1 ZINC000765274282 656139369 /nfs/dbraw/zinc/13/93/69/656139369.db2.gz ADRFXSXLICACRA-INIZCTEOSA-N 1 0 384.343 2.912 20 0 GFADRO CN(C[C@@H](O)C[NH3+])C(=O)Nc1ccccc1SC[C@@H]1CC1(Cl)Cl ZINC000841060490 661230336 /nfs/dbraw/zinc/23/03/36/661230336.db2.gz LYKLUKJWZUMVFU-QWRGUYRKSA-N 1 0 378.325 2.756 20 0 GFADRO O=C1c2ccc(Br)cc2C(=O)N1CN1CC[C@H]([NH+]2CCCCC2)C1 ZINC000766067894 656159589 /nfs/dbraw/zinc/15/95/89/656159589.db2.gz GVDUVYPVBSJYCZ-AWEZNQCLSA-N 1 0 392.297 2.563 20 0 GFADRO C[NH+](C)CCN(CCc1ccccc1)c1ncc(I)cn1 ZINC000766085665 656160542 /nfs/dbraw/zinc/16/05/42/656160542.db2.gz DTPQTUJDSIFQIV-UHFFFAOYSA-N 1 0 396.276 2.692 20 0 GFADRO O=C(CCCC[NH+]1CCCC1)NC[C@@H](O)COc1ccccc1Br ZINC000766161735 656163277 /nfs/dbraw/zinc/16/32/77/656163277.db2.gz ISTQKSIUTBETPO-OAHLLOKOSA-N 1 0 399.329 2.571 20 0 GFADRO COc1cc([C@H](C)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)ccc1S(=O)(=O)C(F)F ZINC000766166804 656163538 /nfs/dbraw/zinc/16/35/38/656163538.db2.gz UETOMYAMDVRFEK-SGMGOOAPSA-N 1 0 376.469 2.825 20 0 GFADRO COCC[N@H+](C)CCCC1CCN(C(=O)NC[C@@H]2CSCCS2)CC1 ZINC000766812622 656184452 /nfs/dbraw/zinc/18/44/52/656184452.db2.gz JMQKAAWIJLFANW-QGZVFWFLSA-N 1 0 389.631 2.615 20 0 GFADRO Cn1cc([C@H](O)C[C@H]2CCC[N@@H+]2C[C@H](O)c2ccc(Br)cc2)cn1 ZINC000766949369 656189263 /nfs/dbraw/zinc/18/92/63/656189263.db2.gz JKXBWDWWEYGIPE-KURKYZTESA-N 1 0 394.313 2.804 20 0 GFADRO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(c2ccc(C(F)(F)F)c(Cl)n2)CC1 ZINC000767262309 656197734 /nfs/dbraw/zinc/19/77/34/656197734.db2.gz HLRHPFLCQALTFY-LBPRGKRZSA-N 1 0 376.810 2.672 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)Nc2ccccc2SC(F)(F)F)C1 ZINC000841178893 661241693 /nfs/dbraw/zinc/24/16/93/661241693.db2.gz IMBHZQCWTKKBCG-QWRGUYRKSA-N 1 0 375.416 2.823 20 0 GFADRO [NH3+]C[C@H]1CC[C@H](NC(=O)Nc2cnc(Br)c(Br)c2)C1 ZINC000841143034 661237727 /nfs/dbraw/zinc/23/77/27/661237727.db2.gz WKUQXHRDJJMYLK-YUMQZZPRSA-N 1 0 392.095 2.856 20 0 GFADRO C[C@H]1CN(C(=O)C(=O)Nc2ccc3cc(Br)ccc3c2)CC[C@@H]1[NH3+] ZINC000841176121 661241723 /nfs/dbraw/zinc/24/17/23/661241723.db2.gz LLTCUCINVZKXSD-ZBEGNZNMSA-N 1 0 390.281 2.737 20 0 GFADRO COc1cc(S(=O)(=O)NCCCCC[NH+]2CCCCC2)cnc1Cl ZINC000767772033 656219458 /nfs/dbraw/zinc/21/94/58/656219458.db2.gz DUKRCGBKFRRDCS-UHFFFAOYSA-N 1 0 375.922 2.678 20 0 GFADRO O=C(NC[C@@H]1CCC[NH2+]C1)C(=O)Nc1cccc(Cl)c1SC(F)F ZINC000841158871 661240082 /nfs/dbraw/zinc/24/00/82/661240082.db2.gz ULOJCJFPFPKJDM-SECBINFHSA-N 1 0 377.844 2.709 20 0 GFADRO O=C(/C=C/c1ccc(Br)o1)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000768584202 656242870 /nfs/dbraw/zinc/24/28/70/656242870.db2.gz UFDNRCDTRPGKNA-DODUIYEKSA-N 1 0 397.313 2.939 20 0 GFADRO C[C@H]([NH3+])CCNC(=O)C(=O)Nc1ccccc1SC[C@H]1CC1(Cl)Cl ZINC000841164222 661240767 /nfs/dbraw/zinc/24/07/67/661240767.db2.gz NUYIBAHAKPHSRE-WDEREUQCSA-N 1 0 390.336 2.765 20 0 GFADRO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)Nc1cccc(Cl)c1SC(F)F ZINC000841188816 661242984 /nfs/dbraw/zinc/24/29/84/661242984.db2.gz IZGHRUUXBPSEHI-VIFPVBQESA-N 1 0 377.844 2.804 20 0 GFADRO CN(C(=O)C(=O)Nc1ccc(Cl)c(OC(F)F)c1)C1CCC([NH3+])CC1 ZINC000841189593 661243186 /nfs/dbraw/zinc/24/31/86/661243186.db2.gz OIROAXVLKGIJGC-UHFFFAOYSA-N 1 0 375.803 2.608 20 0 GFADRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)Nc1cccc(Cl)c1SC(F)F ZINC000841216209 661244901 /nfs/dbraw/zinc/24/49/01/661244901.db2.gz FPPLOLGSUHGPFA-KWQFWETISA-N 1 0 377.844 2.707 20 0 GFADRO CC[N@H+](CCO)CCNC(=O)c1ccc(CSc2nc(C)cs2)cc1 ZINC000769635993 656283570 /nfs/dbraw/zinc/28/35/70/656283570.db2.gz RQRWIUMYFDCRFZ-UHFFFAOYSA-N 1 0 379.551 2.788 20 0 GFADRO CCc1noc(C)c1[C@@H](C)[NH2+]CC1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000769878420 656296690 /nfs/dbraw/zinc/29/66/90/656296690.db2.gz XYHCKUINQVVBTH-SNVBAGLBSA-N 1 0 383.436 2.758 20 0 GFADRO C[NH+](C)Cc1ccc(NC(=O)c2cnn3cc(Br)cnc23)cc1F ZINC000769947244 656302056 /nfs/dbraw/zinc/30/20/56/656302056.db2.gz FQALKLSKSFMIJY-UHFFFAOYSA-N 1 0 392.232 2.945 20 0 GFADRO COC(=O)CC(C)(C)[NH2+]CC(=O)Nc1c(Cl)cc(Cl)cc1C(=O)OC ZINC000770193920 656310542 /nfs/dbraw/zinc/31/05/42/656310542.db2.gz AMRRLIDPBXUGQF-UHFFFAOYSA-N 1 0 391.251 2.650 20 0 GFADRO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)Cc1ccc(Cl)cc1Br ZINC000841455825 661267312 /nfs/dbraw/zinc/26/73/12/661267312.db2.gz WNYXHFGTHVWPLR-VXGBXAGGSA-N 1 0 389.721 2.559 20 0 GFADRO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)Cc1ccc(Cl)cc1Br ZINC000841455823 661267132 /nfs/dbraw/zinc/26/71/32/661267132.db2.gz WNYXHFGTHVWPLR-NWDGAFQWSA-N 1 0 389.721 2.559 20 0 GFADRO C[C@@H](CCS(C)(=O)=O)[NH2+]Cc1nc2ccc(Br)cc2s1 ZINC000775005691 656585200 /nfs/dbraw/zinc/58/52/00/656585200.db2.gz TZEDHWVLTZBBCO-VIFPVBQESA-N 1 0 377.329 2.972 20 0 GFADRO CN(C)C(=O)[C@@H]1CC[C@H](C[NH2+]Cc2nc3ccc(Br)cc3s2)O1 ZINC000775016539 656587746 /nfs/dbraw/zinc/58/77/46/656587746.db2.gz OCXAPRFDZILZLH-YPMHNXCESA-N 1 0 398.326 2.784 20 0 GFADRO C[C@H]([NH2+]CCCCS(C)(=O)=O)c1cc2c(cc1Br)OCCO2 ZINC000775184382 656611863 /nfs/dbraw/zinc/61/18/63/656611863.db2.gz JYDWCOHIFDPCRO-NSHDSACASA-N 1 0 392.315 2.696 20 0 GFADRO CC(C)NS(=O)(=O)c1cccc(C[NH2+][C@@H]2CC[C@@H]3SCCS[C@H]23)c1 ZINC000775376170 656633876 /nfs/dbraw/zinc/63/38/76/656633876.db2.gz PGQPNASIDNKQKZ-IXDOHACOSA-N 1 0 386.608 2.843 20 0 GFADRO O=C(c1ccc(C[NH2+][C@@H]2CC[C@H]3SCCS[C@@H]23)cc1)N1CCOCC1 ZINC000775382229 656634593 /nfs/dbraw/zinc/63/45/93/656634593.db2.gz GQZXHFHEMSOZRL-KURKYZTESA-N 1 0 378.563 2.628 20 0 GFADRO C[C@H](CN1CCN(c2ccccn2)CC1)[NH2+][C@@H]1CC[C@@H]2SCCS[C@H]12 ZINC000775392628 656636445 /nfs/dbraw/zinc/63/64/45/656636445.db2.gz HYRVMCXDBULITP-VXIBKDFQSA-N 1 0 378.611 2.561 20 0 GFADRO COC(=O)N1CCC[C@H]([C@@H](C)[NH2+]CC(=O)Nc2ccc(Br)cc2)C1 ZINC000775817400 656683391 /nfs/dbraw/zinc/68/33/91/656683391.db2.gz YNZAFHKYAOPXIA-OLZOCXBDSA-N 1 0 398.301 2.844 20 0 GFADRO C[N@@H+]1CC[C@H](CN2C(=O)[C@H]3CSCN3C2=O)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000777672947 656832084 /nfs/dbraw/zinc/83/20/84/656832084.db2.gz XYETXGMODHICFD-DFBGVHRSSA-N 1 0 383.876 2.809 20 0 GFADRO COc1cccc([C@@H](CNC(=O)c2scnc2Br)[NH+](C)C)c1 ZINC000777790429 656834719 /nfs/dbraw/zinc/83/47/19/656834719.db2.gz WOMUDAQKDAQXMG-GFCCVEGCSA-N 1 0 384.299 2.947 20 0 GFADRO C[NH+](C)C[C@H](Cc1ccccc1)NS(=O)(=O)c1c(Cl)ccnc1Cl ZINC000777972749 656848109 /nfs/dbraw/zinc/84/81/09/656848109.db2.gz XVGURTUEOYILJB-ZDUSSCGKSA-N 1 0 388.320 2.840 20 0 GFADRO CN(Cc1c(Cl)nc(Cl)n1C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000779225045 656907247 /nfs/dbraw/zinc/90/72/47/656907247.db2.gz NGNUYBVWDVNKNK-SFHVURJKSA-N 1 0 383.323 2.796 20 0 GFADRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NOCc1ccc(F)cc1Br ZINC000780536055 657011950 /nfs/dbraw/zinc/01/19/50/657011950.db2.gz MORAFJICIYUUHX-ZUZCIYMTSA-N 1 0 386.265 2.802 20 0 GFADRO CCO[C@H]1C[C@](CO)([NH2+]Cc2ccccc2I)C1(C)C ZINC000780590013 657015659 /nfs/dbraw/zinc/01/56/59/657015659.db2.gz KSQZJIYDQFCTFM-GOEBONIOSA-N 1 0 389.277 2.947 20 0 GFADRO Cn1nc(C(F)(F)F)c(CN2CCC[N@H+](C[C@H]3CCCO3)CC2)c1Cl ZINC000782454995 657145541 /nfs/dbraw/zinc/14/55/41/657145541.db2.gz CUGSMTRMZRWLTB-GFCCVEGCSA-N 1 0 380.842 2.779 20 0 GFADRO CC[NH+]1CCN(CCNC(=S)Nc2cccc(OC(F)(F)F)c2)CC1 ZINC000783726915 657255115 /nfs/dbraw/zinc/25/51/15/657255115.db2.gz MLNNXGJKRGTDGD-UHFFFAOYSA-N 1 0 376.448 2.509 20 0 GFADRO C[N@H+](CCCO)C1CCN(C(=S)Nc2ccc(Br)cc2)CC1 ZINC000783738794 657256997 /nfs/dbraw/zinc/25/69/97/657256997.db2.gz MSBFPNJMEVNRGO-UHFFFAOYSA-N 1 0 386.359 2.925 20 0 GFADRO Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C[NH2+]CCC1CS(=O)(=O)C1 ZINC000786824865 657470129 /nfs/dbraw/zinc/47/01/29/657470129.db2.gz PCXDYYJTIJQRBI-UHFFFAOYSA-N 1 0 381.929 2.726 20 0 GFADRO C[N@H+](Cc1ccc(Cl)nc1C(F)(F)F)C1CCN(S(C)(=O)=O)CC1 ZINC000787264176 657534646 /nfs/dbraw/zinc/53/46/46/657534646.db2.gz OVPSLKVLZJMLDY-UHFFFAOYSA-N 1 0 385.839 2.610 20 0 GFADRO COC(=O)CC[N@@H+]1CCN(Cc2ccc(Cl)nc2C(F)(F)F)[C@H](C)C1 ZINC000787277175 657537649 /nfs/dbraw/zinc/53/76/49/657537649.db2.gz APQXQFXEUZXVOB-LLVKDONJSA-N 1 0 379.810 2.823 20 0 GFADRO C[C@H]([NH2+]CCOCC(F)(F)C(F)(F)F)c1cccc(NS(C)(=O)=O)c1 ZINC000787295695 657540700 /nfs/dbraw/zinc/54/07/00/657540700.db2.gz ZMQOVXPHYNXVEP-JTQLQIEISA-N 1 0 390.374 2.923 20 0 GFADRO C[N@@H+]1CCCN(CCCNC(=O)c2ccc(OC(F)(F)Cl)cc2)CC1 ZINC000787356221 657547315 /nfs/dbraw/zinc/54/73/15/657547315.db2.gz HHMVSVBLEMIWQC-UHFFFAOYSA-N 1 0 375.847 2.612 20 0 GFADRO C[NH+](C)CCN(Cc1ccccc1F)S(=O)(=O)c1cnc(Cl)c(F)c1 ZINC000787920372 657622791 /nfs/dbraw/zinc/62/27/91/657622791.db2.gz FILVNGMRWNZFRE-UHFFFAOYSA-N 1 0 389.855 2.766 20 0 GFADRO COc1cc(C(=O)NCc2ccccc2C[NH+](C)C)cnc1Br ZINC000788135019 657656980 /nfs/dbraw/zinc/65/69/80/657656980.db2.gz BJGHVZDOTJENPX-UHFFFAOYSA-N 1 0 378.270 2.844 20 0 GFADRO COc1cc(C(=O)N(CC[NH+](C)C)Cc2ccc(C)o2)cnc1Br ZINC000788176037 657667129 /nfs/dbraw/zinc/66/71/29/657667129.db2.gz RQXACBWJEOCUSL-UHFFFAOYSA-N 1 0 396.285 2.958 20 0 GFADRO COc1cc(C(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)cnc1Br ZINC000788222451 657676355 /nfs/dbraw/zinc/67/63/55/657676355.db2.gz IWTMAJVKIDDKKK-CQSZACIVSA-N 1 0 382.302 2.943 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)C(=O)NCCSC(C)(C)C)c1ccc(Cl)cc1 ZINC000788371144 657703317 /nfs/dbraw/zinc/70/33/17/657703317.db2.gz JGBGJQNDRVGYRY-HNNXBMFYSA-N 1 0 385.961 2.707 20 0 GFADRO O=C(Cc1cc(C(F)(F)F)cc(Cl)n1)NCCCC[NH+]1CCOCC1 ZINC000788644088 657759511 /nfs/dbraw/zinc/75/95/11/657759511.db2.gz NSQPWVWNJXGADT-UHFFFAOYSA-N 1 0 379.810 2.525 20 0 GFADRO Cc1c(Br)ccc(NC(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)c1F ZINC000788745978 657781443 /nfs/dbraw/zinc/78/14/43/657781443.db2.gz NZTUXWHVMJGJLN-RYUDHWBXSA-N 1 0 386.265 2.881 20 0 GFADRO C[NH+](C)[C@@H](CNS(=O)(=O)c1ccc(C(F)(F)F)cn1)C1CCCCC1 ZINC000788882837 657793206 /nfs/dbraw/zinc/79/32/06/657793206.db2.gz XKNDXQYTACCLGF-AWEZNQCLSA-N 1 0 379.448 2.889 20 0 GFADRO CN(c1cccc(Br)n1)S(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000789736975 657887285 /nfs/dbraw/zinc/88/72/85/657887285.db2.gz JFMOQLLXEXVSHG-UHFFFAOYSA-N 1 0 384.299 2.731 20 0 GFADRO C[NH+]1CCN(CCOc2ccc(NC(=O)c3nc(Cl)cs3)cc2)CC1 ZINC000789964918 657903476 /nfs/dbraw/zinc/90/34/76/657903476.db2.gz PZKZYLWLXDVVAZ-UHFFFAOYSA-N 1 0 380.901 2.675 20 0 GFADRO COC(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)c1 ZINC000790451467 657983268 /nfs/dbraw/zinc/98/32/68/657983268.db2.gz SFFUWHKMFXYTBD-HNNXBMFYSA-N 1 0 388.917 2.525 20 0 GFADRO COC1(C[NH2+]CCOc2ccc(S(=O)(=O)C(F)(F)F)cc2)CCCC1 ZINC000790982785 658051643 /nfs/dbraw/zinc/05/16/43/658051643.db2.gz YMLZHAARRRQWMG-UHFFFAOYSA-N 1 0 381.416 2.908 20 0 GFADRO CCC(CC)[C@@H](CNC(=O)Cc1cccnc1Br)[NH+]1CCOCC1 ZINC000791317487 658079624 /nfs/dbraw/zinc/07/96/24/658079624.db2.gz XMYJTRBMOSGCFG-MRXNPFEDSA-N 1 0 398.345 2.640 20 0 GFADRO O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1nc(Br)ccc1F ZINC000791465525 658101296 /nfs/dbraw/zinc/10/12/96/658101296.db2.gz BKOBTWIGWPEBAK-CYBMUJFWSA-N 1 0 378.245 2.988 20 0 GFADRO O=C(NC[C@@H]1CSCCS1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000792129003 658237396 /nfs/dbraw/zinc/23/73/96/658237396.db2.gz IOKUEDSIFRNIAE-FGTMMUONSA-N 1 0 377.579 2.608 20 0 GFADRO CC(=O)Nc1ccc(OC[C@H](O)C[N@@H+]2CC[C@@]3(C)[C@@H](C2)C3(Cl)Cl)cc1 ZINC000792902393 658328100 /nfs/dbraw/zinc/32/81/00/658328100.db2.gz DJHOGCALIMNAPI-OIISXLGYSA-N 1 0 387.307 2.900 20 0 GFADRO CCC(CC)[C@@H](CNC(=O)C(=O)Nc1ccc(C)c(Br)n1)[NH+](C)C ZINC000792987004 658341396 /nfs/dbraw/zinc/34/13/96/658341396.db2.gz QAOUMCWQBRBCLR-CYBMUJFWSA-N 1 0 399.333 2.574 20 0 GFADRO O=C(C[NH2+]C1CC(C(F)F)C1)Nc1ccc(I)cc1 ZINC000793606694 658414931 /nfs/dbraw/zinc/41/49/31/658414931.db2.gz LQZWKTYDEIZZOH-UHFFFAOYSA-N 1 0 380.176 2.863 20 0 GFADRO CCS[C@H]1CCC[C@H]1[NH2+]CC(=O)Nc1sc2c(c1C(N)=O)CCCC2 ZINC000794603504 658575018 /nfs/dbraw/zinc/57/50/18/658575018.db2.gz DWHLMKPZZGHDRJ-OCCSQVGLSA-N 1 0 381.567 2.928 20 0 GFADRO O=c1c(Cl)c(Cl)cnn1CN1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000794667753 658594448 /nfs/dbraw/zinc/59/44/48/658594448.db2.gz PMNVOXQQXRDRNV-GASCZTMLSA-N 1 0 379.291 2.571 20 0 GFADRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1CN1Cc2c(cccc2Br)C1=O ZINC000795708123 658843515 /nfs/dbraw/zinc/84/35/15/658843515.db2.gz RITNXTDYWMCWFY-UONOGXRCSA-N 1 0 378.314 2.921 20 0 GFADRO COCC[NH+](CCOC)C1CCN(Cn2nc(C3CC3)sc2=S)CC1 ZINC000795718601 658844630 /nfs/dbraw/zinc/84/46/30/658844630.db2.gz UGGBNOXRGJBRBP-UHFFFAOYSA-N 1 0 386.587 2.568 20 0 GFADRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F ZINC000796110758 658892888 /nfs/dbraw/zinc/89/28/88/658892888.db2.gz BPRKVFHWMYIOOB-IUCAKERBSA-N 1 0 384.370 2.629 20 0 GFADRO CN(C)Cc1cnc(C[NH2+]C[C@H](O)c2ccc(OC(F)(F)F)cc2)s1 ZINC000796284508 658910174 /nfs/dbraw/zinc/91/01/74/658910174.db2.gz RIBRLFAMJVVLBH-AWEZNQCLSA-N 1 0 375.416 2.927 20 0 GFADRO CC(C)(C)OC(=O)NCC1CCC([NH2+]CCS(=O)(=O)C(C)(C)C)CC1 ZINC000796301826 658911622 /nfs/dbraw/zinc/91/16/22/658911622.db2.gz XRZDLDZPQVNBKF-UHFFFAOYSA-N 1 0 376.563 2.873 20 0 GFADRO CC(C)S(=O)(=O)CCC[NH2+][C@@H]1[C@H](C)CCN(C(=O)OC(C)(C)C)[C@@H]1C ZINC000796652778 658929298 /nfs/dbraw/zinc/92/92/98/658929298.db2.gz NLIPVCXQBAIIQQ-BZUAXINKSA-N 1 0 376.563 2.823 20 0 GFADRO CCOC(=O)C(F)(F)[C@@H]1CCC[C@@H]([NH2+]CC2(S(C)(=O)=O)CCCC2)C1 ZINC000797102145 658979805 /nfs/dbraw/zinc/97/98/05/658979805.db2.gz OFAGKODTRSEQSF-ZIAGYGMSSA-N 1 0 381.485 2.691 20 0 GFADRO C[NH+]1CCC2(CCCN(S(=O)(=O)c3cccc(Br)c3)C2)CC1 ZINC000798465552 659109543 /nfs/dbraw/zinc/10/95/43/659109543.db2.gz AZYUTHMHRJEBAD-UHFFFAOYSA-N 1 0 387.343 2.946 20 0 GFADRO CC(C)(COc1ncccc1Br)[NH2+]C[C@H](O)c1ccc(F)cn1 ZINC000799310445 659178141 /nfs/dbraw/zinc/17/81/41/659178141.db2.gz BPOCGNDCYVCIHO-AWEZNQCLSA-N 1 0 384.249 2.859 20 0 GFADRO OC[C@]1([NH2+]C[C@@H](O)c2ccc(Br)cc2)CCOc2ccccc21 ZINC000799337823 659183514 /nfs/dbraw/zinc/18/35/14/659183514.db2.gz RDEUTUDTGNUWLN-SJLPKXTDSA-N 1 0 378.266 2.742 20 0 GFADRO C[C@H](NC(=O)c1ccc(Br)s1)C(=O)OCCC[NH+]1CCCC1 ZINC000800141471 659276222 /nfs/dbraw/zinc/27/62/22/659276222.db2.gz AOFDTKCGPUXFOE-NSHDSACASA-N 1 0 389.315 2.658 20 0 GFADRO Cn1nc(Br)cc1C[NH2+]C[C@H](O)c1cccc(Br)c1 ZINC000800289322 659298828 /nfs/dbraw/zinc/29/88/28/659298828.db2.gz IXYFKEMCESBBJV-LBPRGKRZSA-N 1 0 389.091 2.768 20 0 GFADRO Cc1cnc(Br)cc1NC(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000800562675 659316809 /nfs/dbraw/zinc/31/68/09/659316809.db2.gz BBBCQFAWNDDLOE-AWEZNQCLSA-N 1 0 397.317 2.729 20 0 GFADRO C[C@@H](CNS(=O)(=O)c1cc2c(cc1Cl)CCC2=O)C[NH+]1CCCCC1 ZINC000800900819 659345085 /nfs/dbraw/zinc/34/50/85/659345085.db2.gz ILUMKXNPGPIMJE-ZDUSSCGKSA-N 1 0 384.929 2.869 20 0 GFADRO O=C1CCc2cc(Cl)c(S(=O)(=O)NCC3CC[NH+](C4CC4)CC3)cc21 ZINC000800936423 659353784 /nfs/dbraw/zinc/35/37/84/659353784.db2.gz LBZPIRZKIDSYKL-UHFFFAOYSA-N 1 0 382.913 2.622 20 0 GFADRO Cc1ccc([C@H](CNC(=O)c2c(C)nn(C)c2Br)[NH+]2CCCC2)o1 ZINC000801090501 659367205 /nfs/dbraw/zinc/36/72/05/659367205.db2.gz HAJXTHCSZMSGTI-ZDUSSCGKSA-N 1 0 395.301 2.959 20 0 GFADRO Cc1nn(C)c(Br)c1C(=O)N[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000801099588 659368523 /nfs/dbraw/zinc/36/85/23/659368523.db2.gz VVFATMKIZDGWBG-IUODEOHRSA-N 1 0 391.313 2.884 20 0 GFADRO CC(C)(C)SCC[NH+]1CCC(N(CC(F)(F)F)S(C)(=O)=O)CC1 ZINC000801920192 659434628 /nfs/dbraw/zinc/43/46/28/659434628.db2.gz NCRIQCIGYTXNOV-UHFFFAOYSA-N 1 0 376.510 2.806 20 0 GFADRO CCSCC[NH2+]C[C@@H](N1CCN(C(=O)OC(C)(C)C)CC1)C(F)(F)F ZINC000802658350 659492679 /nfs/dbraw/zinc/49/26/79/659492679.db2.gz VUWPKPKDKJGNKM-CYBMUJFWSA-N 1 0 385.496 2.813 20 0 GFADRO O=C1c2cc(Br)ccc2CN1CN1CCC[C@@H]1C[NH+]1CCCC1 ZINC000802731199 659499404 /nfs/dbraw/zinc/49/94/04/659499404.db2.gz INMFJVDIFBEKIM-MRXNPFEDSA-N 1 0 378.314 2.923 20 0 GFADRO COc1ccc([C@@H](C[NH+](C)C)NC(=O)c2ccnc(Br)c2)cc1 ZINC000803806794 659606573 /nfs/dbraw/zinc/60/65/73/659606573.db2.gz ABBBHZUORCKJDL-OAHLLOKOSA-N 1 0 378.270 2.885 20 0 GFADRO C[N@@H+]1CCCC[C@@H]1CCC(=O)O[C@@H](C(N)=O)c1ccc(Br)cc1 ZINC000803858588 659610517 /nfs/dbraw/zinc/61/05/17/659610517.db2.gz GZWKORFFJXAWLK-GDBMZVCRSA-N 1 0 383.286 2.783 20 0 GFADRO Cc1cccc(CN(CC[NH+](C)C)S(=O)(=O)c2cnc(Cl)c(F)c2)c1 ZINC000804986791 659708120 /nfs/dbraw/zinc/70/81/20/659708120.db2.gz QKWSDKUZTZNTKR-UHFFFAOYSA-N 1 0 385.892 2.935 20 0 GFADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N2CC[C@@]3(C)[C@@H](C2)C3(Cl)Cl)C1 ZINC000806322633 659829495 /nfs/dbraw/zinc/82/94/95/659829495.db2.gz BUCFFCXYWVYYBC-FMKPAKJESA-N 1 0 378.344 2.569 20 0 GFADRO C[C@]12CCN(C(=O)NC3CC[NH+]([C@@H]4CCC[C@@H]4O)CC3)C[C@H]1C2(Cl)Cl ZINC000806992634 659845799 /nfs/dbraw/zinc/84/57/99/659845799.db2.gz WVOLTXYKYWNIDM-DLTWYDFYSA-N 1 0 390.355 2.590 20 0 GFADRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1CN1C(=O)c2ccc(Br)cc2C1=O ZINC000808192677 659881234 /nfs/dbraw/zinc/88/12/34/659881234.db2.gz SFOZIISGCOHKNT-LRDDRELGSA-N 1 0 392.297 2.561 20 0 GFADRO Cc1cc(S(=O)(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)cnc1Cl ZINC000808326292 659888742 /nfs/dbraw/zinc/88/87/42/659888742.db2.gz OVEQCRYJTAXYTO-RHSMWYFYSA-N 1 0 379.913 2.985 20 0 GFADRO Cc1cc(Br)cn2c(C[NH2+][C@H]3COc4ccccc4[C@@H]3O)cnc12 ZINC000808455325 659895191 /nfs/dbraw/zinc/89/51/91/659895191.db2.gz YJBCMMOANOLTHF-RDJZCZTQSA-N 1 0 388.265 2.989 20 0 GFADRO CCS(=O)(=O)N1CCC([C@@H](C)[N@H+](C)C[C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000808775527 659905324 /nfs/dbraw/zinc/90/53/24/659905324.db2.gz DDSIISLSQUMZER-RDTXWAMCSA-N 1 0 388.961 2.755 20 0 GFADRO C[N@H+](CCS(=O)(=O)CC(=O)OC(C)(C)C)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000808793703 659906800 /nfs/dbraw/zinc/90/68/00/659906800.db2.gz QQBBXNDFTWDVGR-BETUJISGSA-N 1 0 387.464 2.796 20 0 GFADRO CN(C)CC[N@H+](C)CCCNC(=O)Cc1ccc(Cl)cc1Br ZINC000809190761 659919107 /nfs/dbraw/zinc/91/91/07/659919107.db2.gz JUCMDLYSVHFVJY-UHFFFAOYSA-N 1 0 390.753 2.645 20 0 GFADRO C[N@@H+]1CCC[C@@H](N2CCN(Cc3c(Cl)nc4cc(Cl)ccn43)CC2)C1 ZINC000809571821 659932224 /nfs/dbraw/zinc/93/22/24/659932224.db2.gz DFOCKNUICDNHPN-OAHLLOKOSA-N 1 0 382.339 2.853 20 0 GFADRO C[C@@H](O)c1ncc(C[NH2+]C[C@@H](CO)Cc2ccc(Br)cc2)s1 ZINC000809654144 659935502 /nfs/dbraw/zinc/93/55/02/659935502.db2.gz SHLHBBOMSWLCFH-YPMHNXCESA-N 1 0 385.327 2.900 20 0 GFADRO COCCCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cccc(C(F)F)c1 ZINC000810097781 659961409 /nfs/dbraw/zinc/96/14/09/659961409.db2.gz LVUKDUCQSHOQEN-UHFFFAOYSA-N 1 0 376.469 2.746 20 0 GFADRO CC(C)[NH+]1CCC(O)(CNC(=O)c2cc(C(F)(F)F)cc(Cl)n2)CC1 ZINC000810542248 659977123 /nfs/dbraw/zinc/97/71/23/659977123.db2.gz LJUHKRRGXDHRGR-UHFFFAOYSA-N 1 0 379.810 2.719 20 0 GFADRO Nc1nc(N2CCC[C@H](OC(=O)/C=C\c3ccc(Br)o3)C2)cc[nH+]1 ZINC000810767247 659985085 /nfs/dbraw/zinc/98/50/85/659985085.db2.gz UHCUCTKHTPBWIG-RNZFLTOJSA-N 1 0 393.241 2.640 20 0 GFADRO CCCC[N@H+](C)C[C@@H](C)NC(=O)c1cccnc1I ZINC000811600387 660013186 /nfs/dbraw/zinc/01/31/86/660013186.db2.gz JGMDGNMEXRIZIY-LLVKDONJSA-N 1 0 375.254 2.536 20 0 GFADRO COc1cccc(C(=O)C(C(=S)NCCSC)[n+]2ccc(C)cc2)n1 ZINC000811725733 660014826 /nfs/dbraw/zinc/01/48/26/660014826.db2.gz YGBWNIOJLZNPRW-UHFFFAOYSA-O 1 0 376.527 2.850 20 0 GFADRO CCCC[N@H+](C)C[C@@H](C)Nc1nc(CS(C)(=O)=O)nc(Cl)c1CC ZINC000811848388 660016930 /nfs/dbraw/zinc/01/69/30/660016930.db2.gz CHZJROVXNIOOMA-GFCCVEGCSA-N 1 0 376.954 2.769 20 0 GFADRO CCC[N@H+](CC)C[C@@H](C)NC(=O)NC[C@@H](O)c1cccc(Br)c1 ZINC000811972802 660018506 /nfs/dbraw/zinc/01/85/06/660018506.db2.gz SKNMQNQGXXYUPD-CZUORRHYSA-N 1 0 386.334 2.902 20 0 GFADRO CN(C/C=C/C(=O)NCC1([NH+]2CCSCC2)CCCC1)CC(F)(F)F ZINC000814495227 660086989 /nfs/dbraw/zinc/08/69/89/660086989.db2.gz TYPJZFBHTMVIHS-SNAWJCMRSA-N 1 0 379.492 2.515 20 0 GFADRO Cc1cc2cc(S(=O)(=O)N[C@@H]3C[N@H+](C4CC4)C[C@H]3C)ccc2nc1Cl ZINC000815025160 660103358 /nfs/dbraw/zinc/10/33/58/660103358.db2.gz DZPDLQIMYMFPCK-SJKOYZFVSA-N 1 0 379.913 2.958 20 0 GFADRO CS[C@@H]1CN(S(=O)(=O)c2ccc3nc(Cl)c(C)cc3c2)C[C@H]1[NH+](C)C ZINC000815028550 660103955 /nfs/dbraw/zinc/10/39/55/660103955.db2.gz BMCBHKDEQFDBCF-HZPDHXFCSA-N 1 0 399.969 2.863 20 0 GFADRO COC(=O)[C@H]1[C@@H]2C[N@@H+](C[C@](C)(O)c3ccc(Br)cc3Cl)C[C@@H]21 ZINC000815121524 660113778 /nfs/dbraw/zinc/11/37/78/660113778.db2.gz VOVAYEHFCLBSGV-CIGZNWKYSA-N 1 0 388.689 2.661 20 0 GFADRO Cn1ncc(C[NH2+]CCOc2ccc(S(=O)(=O)C(F)(F)F)cc2)c1Cl ZINC000815133849 660114182 /nfs/dbraw/zinc/11/41/82/660114182.db2.gz YZLBZIDIUINTIT-UHFFFAOYSA-N 1 0 397.806 2.536 20 0 GFADRO CN(C)C(=O)OC1CC[NH+](C[C@@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000815189149 660115820 /nfs/dbraw/zinc/11/58/20/660115820.db2.gz HQDNUCAKZBXCKD-CYBMUJFWSA-N 1 0 391.295 2.896 20 0 GFADRO CCc1sc(C(=O)NCCCN2CCC[N@H+](C)CC2)cc1Br ZINC000815598964 660126293 /nfs/dbraw/zinc/12/62/93/660126293.db2.gz HLKFSUMDLZLBCI-UHFFFAOYSA-N 1 0 388.375 2.830 20 0 GFADRO C[NH+](C)Cc1ccnc(NC(=O)c2cn3c(Br)cnc3s2)c1 ZINC000815753961 660130251 /nfs/dbraw/zinc/13/02/51/660130251.db2.gz YMIYJIYSTNVTQT-UHFFFAOYSA-N 1 0 380.271 2.867 20 0 GFADRO C[C@@](O)(CNC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1)c1cccc(Cl)c1 ZINC000816971102 660175261 /nfs/dbraw/zinc/17/52/61/660175261.db2.gz SZTRAWWMLVWAOW-IEBWSBKVSA-N 1 0 382.957 2.881 20 0 GFADRO COc1cc(S(=O)(=O)N(CC[NH+](C)C)Cc2ccsc2)cnc1Cl ZINC000841547167 661295970 /nfs/dbraw/zinc/29/59/70/661295970.db2.gz YGYRTQAXCYQPSF-UHFFFAOYSA-N 1 0 389.930 2.558 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)NCCc3ccc(Br)cc3F)C[C@@H]21 ZINC000841794857 661313626 /nfs/dbraw/zinc/31/36/26/661313626.db2.gz LJMNFPOQAHVRHB-IVMMDQJWSA-N 1 0 384.293 2.900 20 0 GFADRO O=C(NCCc1ccc(Br)cc1F)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000841795689 661313630 /nfs/dbraw/zinc/31/36/30/661313630.db2.gz URRMMPPFZRHBMJ-KRWDZBQOSA-N 1 0 384.293 2.916 20 0 GFADRO COc1cc(Br)ccc1CNC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000841884001 661317026 /nfs/dbraw/zinc/31/70/26/661317026.db2.gz HSGAIBNALQNINU-KRWDZBQOSA-N 1 0 382.302 2.743 20 0 GFADRO CN(C[C@@H](O)c1ccccc1Br)C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000841972348 661318742 /nfs/dbraw/zinc/31/87/42/661318742.db2.gz FZARFSXWIDEVQO-NVXWUHKLSA-N 1 0 384.318 2.514 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)N2CCO[C@H](c3ccccc3Br)C2)CC[NH2+]1 ZINC000841988440 661318883 /nfs/dbraw/zinc/31/88/83/661318883.db2.gz TZKKGGGCJZPBDY-WWGRRREGSA-N 1 0 382.302 2.673 20 0 GFADRO [NH3+]C[C@@H]1CC[C@H](NC(=O)N2CCO[C@@H](c3ccccc3Br)C2)C1 ZINC000842010540 661319689 /nfs/dbraw/zinc/31/96/89/661319689.db2.gz MIGBTTNCNWKPNV-DVOMOZLQSA-N 1 0 382.302 2.659 20 0 GFADRO CN(C[C@H](O)c1ccccc1Br)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000842015699 661319909 /nfs/dbraw/zinc/31/99/09/661319909.db2.gz PAPOTFBZEUJJNW-ZJOBFFGXSA-N 1 0 396.329 2.512 20 0 GFADRO CN(C(=O)C(=O)N[C@@H]1CCSc2ccc(Cl)cc21)C1CCC([NH3+])CC1 ZINC000842153884 661325914 /nfs/dbraw/zinc/32/59/14/661325914.db2.gz WUZJYLSMUMFINH-SSDMNJCBSA-N 1 0 381.929 2.721 20 0 GFADRO C[NH+](C)C1(CNC(=O)C(=O)Nc2ccc3cc(Br)ccc3c2)CC1 ZINC000842226708 661329193 /nfs/dbraw/zinc/32/91/93/661329193.db2.gz YSIZNYVBWQEGNO-UHFFFAOYSA-N 1 0 390.281 2.751 20 0 GFADRO C[NH+](C)C1(CN2C(=O)[C@@H]3Cc4c(Br)cccc4CN3C2=O)CCC1 ZINC000842242235 661329608 /nfs/dbraw/zinc/32/96/08/661329608.db2.gz FSQKFGQFTIJPJU-HNNXBMFYSA-N 1 0 392.297 2.622 20 0 GFADRO CC[C@@H](C)[N@H+](C)CCN1C(=O)[C@@H]2Cc3c(Br)cccc3CN2C1=O ZINC000842241024 661329755 /nfs/dbraw/zinc/32/97/55/661329755.db2.gz XHNNMMNPEQZGJI-WBMJQRKESA-N 1 0 394.313 2.868 20 0 GFADRO O=C(OCCn1cnc(Br)n1)c1cccc(C[NH+]2CCCCC2)c1 ZINC000842366985 661335409 /nfs/dbraw/zinc/33/54/09/661335409.db2.gz RPVWLCJYZBWPNB-UHFFFAOYSA-N 1 0 393.285 2.884 20 0 GFADRO CC(=O)N[C@@H](Cc1nc([C@@H]2CCC[NH2+]C2)no1)c1ccc(Br)cc1 ZINC000842663550 661347951 /nfs/dbraw/zinc/34/79/51/661347951.db2.gz BRYVQPLEGWJAIO-HIFRSBDPSA-N 1 0 393.285 2.719 20 0 GFADRO Cn1cc(N2CCC[C@H]([NH2+]Cc3cc(Br)cnc3Cl)C2)cn1 ZINC000842683895 661349153 /nfs/dbraw/zinc/34/91/53/661349153.db2.gz FGLRUWORYBREFB-ZDUSSCGKSA-N 1 0 384.709 2.990 20 0 GFADRO CCCN([C@H]1CC[NH2+]C1)S(=O)(=O)c1c(OC)ccc2nc(Cl)ccc21 ZINC000842709414 661350311 /nfs/dbraw/zinc/35/03/11/661350311.db2.gz ORADTEKISWVKKI-LBPRGKRZSA-N 1 0 383.901 2.659 20 0 GFADRO CCCOc1c(Br)cc(C[NH2+]CC(=O)N(CC)OC)cc1OC ZINC000842768410 661353269 /nfs/dbraw/zinc/35/32/69/661353269.db2.gz VRPVAEPJHOZGCX-UHFFFAOYSA-N 1 0 389.290 2.746 20 0 GFADRO CC[C@H]1CN(S(=O)(=O)c2cc(C(=O)OC)c(Cl)cc2Cl)CC[C@@H]1[NH3+] ZINC000842797012 661355000 /nfs/dbraw/zinc/35/50/00/661355000.db2.gz DCQIIBHZYZEMKW-ZANVPECISA-N 1 0 395.308 2.528 20 0 GFADRO O=S(=O)(Cc1cc(Cl)ccc1Br)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000842898772 661359426 /nfs/dbraw/zinc/35/94/26/661359426.db2.gz XZBVSTBNSQNLIG-CQSZACIVSA-N 1 0 393.734 2.760 20 0 GFADRO CC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCc3ccccc3[C@H]2C[NH3+])c1 ZINC000842913609 661360272 /nfs/dbraw/zinc/36/02/72/661360272.db2.gz CJXYGKWFZAYROO-QGZVFWFLSA-N 1 0 378.881 2.789 20 0 GFADRO O[C@@H](C[NH2+]C[C@H](O)COCc1ccccc1)c1ccccc1Br ZINC000843061856 661365571 /nfs/dbraw/zinc/36/55/71/661365571.db2.gz JILNXXGGKNQTBH-YJBOKZPZSA-N 1 0 380.282 2.650 20 0 GFADRO O[C@H](C[NH2+]C[C@@H](O)c1cccc(F)c1)COc1ccc(Br)cc1 ZINC000843069125 661366148 /nfs/dbraw/zinc/36/61/48/661366148.db2.gz JUXHIIVYQSDTBT-NVXWUHKLSA-N 1 0 384.245 2.651 20 0 GFADRO COc1cccc([C@H](O)C[NH2+]C[C@@H](O)COc2cccc(Br)c2)c1 ZINC000843068386 661366224 /nfs/dbraw/zinc/36/62/24/661366224.db2.gz MZIHVUGBKRWFRO-CRAIPNDOSA-N 1 0 396.281 2.521 20 0 GFADRO Cc1cccc([C@@H](O)C[NH2+]C[C@H](O)COc2cccc(Br)c2)c1 ZINC000843085483 661366982 /nfs/dbraw/zinc/36/69/82/661366982.db2.gz BVXPTVNJNXNTFN-WMZOPIPTSA-N 1 0 380.282 2.820 20 0 GFADRO O[C@H](C[NH2+]CC[C@H](O)c1ccccc1)COc1ccc(Br)cc1 ZINC000843090362 661367132 /nfs/dbraw/zinc/36/71/32/661367132.db2.gz XXJLADLHSXZRFK-AEFFLSMTSA-N 1 0 380.282 2.902 20 0 GFADRO Cc1ccccc1OC[C@H](O)C[NH2+]C[C@@H](O)c1ccccc1Br ZINC000843097407 661367724 /nfs/dbraw/zinc/36/77/24/661367724.db2.gz ZCHWKFPJWTYMCB-RHSMWYFYSA-N 1 0 380.282 2.820 20 0 GFADRO O[C@H](C[NH2+][C@H]1COc2ccccc2[C@@H]1O)COc1ccc(Cl)cc1Cl ZINC000843116115 661369347 /nfs/dbraw/zinc/36/93/47/661369347.db2.gz MBBSJVUAIUENSF-MRAWALMUSA-N 1 0 384.259 2.817 20 0 GFADRO O=C1[C@H](c2nc(C3CC[NH2+]CC3)no2)CCN1c1ccccc1Br ZINC000843137881 661370615 /nfs/dbraw/zinc/37/06/15/661370615.db2.gz HTGLOSUHQXKFGY-LBPRGKRZSA-N 1 0 391.269 2.820 20 0 GFADRO C[C@]1(c2nc(CS(=O)(=O)c3cc(Cl)ccc3Cl)no2)CC[NH2+]C1 ZINC000843200185 661371805 /nfs/dbraw/zinc/37/18/05/661371805.db2.gz MOJKLRPNGMIJPR-AWEZNQCLSA-N 1 0 376.265 2.601 20 0 GFADRO Brc1cc(Cc2noc(C[C@H]3CCC[NH2+]3)n2)cc2c1OCCCO2 ZINC000843202436 661371928 /nfs/dbraw/zinc/37/19/28/661371928.db2.gz DPBOFYHSSROGGV-GFCCVEGCSA-N 1 0 394.269 2.879 20 0 GFADRO COc1ccc(Cc2noc(CC[NH2+]C(C)C)n2)c(Br)c1OC ZINC000843204015 661372619 /nfs/dbraw/zinc/37/26/19/661372619.db2.gz ZUHIUEWSRCCXQX-UHFFFAOYSA-N 1 0 384.274 2.981 20 0 GFADRO CC(C)(Cc1cccc(Br)c1)c1noc(C[C@@H]2C[NH2+]CCO2)n1 ZINC000843237920 661374611 /nfs/dbraw/zinc/37/46/11/661374611.db2.gz IHXXCTAKUQBYFZ-CQSZACIVSA-N 1 0 380.286 2.883 20 0 GFADRO [NH3+]C1C[C@H]2CCC[C@@H](C1)N2CC(=O)Nc1ccc(I)cc1 ZINC000843361604 661378535 /nfs/dbraw/zinc/37/85/35/661378535.db2.gz HSDQQDHQHFHESI-LQDVMPOASA-N 1 0 399.276 2.574 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CN(C(=O)C(C)(C)Sc2ccc(Br)cc2)CCO1 ZINC000843357180 661378631 /nfs/dbraw/zinc/37/86/31/661378631.db2.gz PIXAWRZUEHGQKG-BXUZGUMPSA-N 1 0 387.343 2.894 20 0 GFADRO CC(C)([NH3+])c1noc(CN2CCO[C@@H](c3ccccc3Br)C2)n1 ZINC000843358502 661378680 /nfs/dbraw/zinc/37/86/80/661378680.db2.gz CFUIWGZSGKVBKQ-CYBMUJFWSA-N 1 0 381.274 2.599 20 0 GFADRO O=C(CO[C@H]1CCC[NH2+]C1)N[C@H]1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000843386189 661379089 /nfs/dbraw/zinc/37/90/89/661379089.db2.gz JDSBODPPSHRZBT-QCNOEVLYSA-N 1 0 376.341 2.781 20 0 GFADRO C[C@H]1CN(Cc2cc(Br)cnc2Cl)CC[N@@H+]1CC(C)(C)O ZINC000843404985 661379742 /nfs/dbraw/zinc/37/97/42/661379742.db2.gz PUIIWCMWLNGBRR-NSHDSACASA-N 1 0 376.726 2.775 20 0 GFADRO C[C@@H](Oc1cccc(Br)c1)C(=O)Nc1cnn(C2CC[NH2+]CC2)c1 ZINC000843455464 661382120 /nfs/dbraw/zinc/38/21/20/661382120.db2.gz AARJESRBCLKEOP-GFCCVEGCSA-N 1 0 393.285 2.976 20 0 GFADRO Cn1nc2cc(Br)ccc2c1C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000843473520 661382708 /nfs/dbraw/zinc/38/27/08/661382708.db2.gz GIFVDYRHNGUCJZ-KRWDZBQOSA-N 1 0 377.286 2.552 20 0 GFADRO CCCN(C(=O)/C=C/c1ccc(I)o1)[C@@H]1CC[N@H+](C)C1 ZINC000843993464 661399812 /nfs/dbraw/zinc/39/98/12/661399812.db2.gz NGSMNMQRZYGOSE-HOSRBBHYSA-N 1 0 388.249 2.840 20 0 GFADRO [NH3+]CCCCCCC(=O)NCc1ccc(Br)cc1N1CCOCC1 ZINC000844203277 661409355 /nfs/dbraw/zinc/40/93/55/661409355.db2.gz LSHPOPTXTGTMIK-UHFFFAOYSA-N 1 0 398.345 2.811 20 0 GFADRO O=c1cc(C[N@H+]2CCC[C@@](O)(c3ccc(Cl)cc3)C2)nc2sccn21 ZINC000844377915 661417309 /nfs/dbraw/zinc/41/73/09/661417309.db2.gz YOIOETUHSWVEED-SFHVURJKSA-N 1 0 375.881 2.893 20 0 GFADRO COc1cc(Br)c(Cc2noc(CC(F)(F)C[NH3+])n2)cc1OC ZINC000844914341 661449227 /nfs/dbraw/zinc/44/92/27/661449227.db2.gz IBBIIPVROLCYMN-UHFFFAOYSA-N 1 0 392.200 2.577 20 0 GFADRO C[C@@H](C[NH+]1CCCC1)OC(=O)CCNC(=O)Nc1ccc(Br)cc1 ZINC000845674767 661489052 /nfs/dbraw/zinc/48/90/52/661489052.db2.gz XWJLPAFAOFZVHC-ZDUSSCGKSA-N 1 0 398.301 2.988 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@@H]1COC(=O)Cc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000845730357 661494800 /nfs/dbraw/zinc/49/48/00/661494800.db2.gz QKWNNXCOUPSKCH-CYBMUJFWSA-N 1 0 375.437 2.641 20 0 GFADRO CCOC(=O)C1CCN(C(=O)C[C@H](C)[NH2+]CC[C@]2(C)C[C@]2(F)Cl)CC1 ZINC000846036120 661525972 /nfs/dbraw/zinc/52/59/72/661525972.db2.gz VXKLGNTWIRSFFN-MORSLUCNSA-N 1 0 376.900 2.861 20 0 GFADRO Cc1csc([C@@](O)(CC(=O)N(C)CC[NH+]2CCCCC2)C(F)(F)F)n1 ZINC000846613739 661559542 /nfs/dbraw/zinc/55/95/42/661559542.db2.gz XTWSIGYBZSJTDY-HNNXBMFYSA-N 1 0 379.448 2.536 20 0 GFADRO Cc1nc(Br)ccc1NC(=O)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000847165699 661578383 /nfs/dbraw/zinc/57/83/83/661578383.db2.gz WQTXZPATLSFUTD-AWEZNQCLSA-N 1 0 397.317 2.871 20 0 GFADRO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000847181143 661580026 /nfs/dbraw/zinc/58/00/26/661580026.db2.gz NSDGVEKQOPGFIZ-BJHJDKERSA-N 1 0 393.281 2.934 20 0 GFADRO CNC(=O)c1cc(Cl)ccc1NC(=O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000847342124 661588113 /nfs/dbraw/zinc/58/81/13/661588113.db2.gz UVMXYDBXEQLFMP-AWEZNQCLSA-N 1 0 381.929 2.856 20 0 GFADRO C[C@H]1C[NH+](CCCCNC(=O)c2cnc(F)c(Br)c2)C[C@H](C)O1 ZINC000847552643 661597114 /nfs/dbraw/zinc/59/71/14/661597114.db2.gz GYABZSWPELBGNZ-RYUDHWBXSA-N 1 0 388.281 2.602 20 0 GFADRO CC(=O)N[C@H](CC(=O)OCC[C@@H]1CC[N@@H+](C)C1)c1ccc(Br)cc1 ZINC000847829327 661612653 /nfs/dbraw/zinc/61/26/53/661612653.db2.gz XGNFKBZZHVNSIZ-WMLDXEAASA-N 1 0 397.313 2.901 20 0 GFADRO C[C@H](COC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl)[NH+]1CCCCC1 ZINC000847958387 661618643 /nfs/dbraw/zinc/61/86/43/661618643.db2.gz JCTWOVBHTJFMQG-CYBMUJFWSA-N 1 0 388.917 2.622 20 0 GFADRO CN(CCC[N@H+](C)Cc1ccncc1)C(=O)c1cnc(F)c(Br)c1 ZINC000848094378 661624492 /nfs/dbraw/zinc/62/44/92/661624492.db2.gz NZPFIJQREQTOMP-UHFFFAOYSA-N 1 0 395.276 2.972 20 0 GFADRO [NH3+]C[C@@H](NC(=O)COc1ccc(C2SCCCS2)cc1)C(F)(F)F ZINC000848438905 661648320 /nfs/dbraw/zinc/64/83/20/661648320.db2.gz JUWAWTAVVXJKAX-GFCCVEGCSA-N 1 0 380.457 2.940 20 0 GFADRO Cc1nn(-c2ccccc2Br)cc1C[NH2+]CCCN1CCOC1=O ZINC000848534379 661662069 /nfs/dbraw/zinc/66/20/69/661662069.db2.gz PGTLKRWOHHCXLE-UHFFFAOYSA-N 1 0 393.285 2.875 20 0 GFADRO [NH2+]=C(NCCC1CCS(=O)(=O)CC1)Nc1cccc(OC(F)(F)F)c1 ZINC000849083999 661690821 /nfs/dbraw/zinc/69/08/21/661690821.db2.gz SOCYSGKYZPBTGM-UHFFFAOYSA-N 1 0 379.404 2.736 20 0 GFADRO CC(C)CCC[C@H](C)NC(=[NH2+])NCc1nn(C)cc1I ZINC000849116196 661693174 /nfs/dbraw/zinc/69/31/74/661693174.db2.gz HPXHKHBYMIHTFG-NSHDSACASA-N 1 0 391.301 2.853 20 0 GFADRO C[NH+]1CCC(CNC(=S)NC[C@H]2CCN(c3ccccc3Cl)C2)CC1 ZINC000849269444 661701296 /nfs/dbraw/zinc/70/12/96/661701296.db2.gz MTFOYCCDPNDNQT-MRXNPFEDSA-N 1 0 380.989 2.972 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CNC(=S)Nc1cnc(OC)c(Br)c1C ZINC000849281398 661702146 /nfs/dbraw/zinc/70/21/46/661702146.db2.gz DXBWEGVIYCCSKV-LLVKDONJSA-N 1 0 387.347 2.932 20 0 GFADRO CC[N@@H+]1CCCC[C@@H]1CN1C(=O)N[C@@H](c2ccccc2Br)C1=O ZINC000849355093 661708985 /nfs/dbraw/zinc/70/89/85/661708985.db2.gz YYWRFTFIFILKCA-DOMZBBRYSA-N 1 0 380.286 2.916 20 0 GFADRO Cc1ncc(Br)cc1NC(=O)[C@@H]1CC[N@@H+](C)C[C@H]1c1cnn(C)c1 ZINC000849596582 661734752 /nfs/dbraw/zinc/73/47/52/661734752.db2.gz ARQYVMILHNHHCW-CABCVRRESA-N 1 0 392.301 2.560 20 0 GFADRO Cn1cc([C@H]2C[N@H+](C)CC[C@H]2C(=O)Nc2cscc2Br)cn1 ZINC000849600914 661734970 /nfs/dbraw/zinc/73/49/70/661734970.db2.gz SCMCUKCFLBRISB-VXGBXAGGSA-N 1 0 383.315 2.918 20 0 GFADRO Cc1cc(C[NH2+]CCNC(=O)c2ccc(Br)cn2)cnc1Cl ZINC000850351509 661771274 /nfs/dbraw/zinc/77/12/74/661771274.db2.gz OPJXZOOUSSITCW-UHFFFAOYSA-N 1 0 383.677 2.721 20 0 GFADRO CSC[C@@H](CCO)[NH2+][C@@H]1CCN(C(=O)C(F)(F)F)Cc2ccccc21 ZINC000850438188 661776248 /nfs/dbraw/zinc/77/62/48/661776248.db2.gz WLHPBYDFSCZOBE-UKRRQHHQSA-N 1 0 376.444 2.726 20 0 GFADRO O=C(NCC[NH2+][C@@H]1CCc2nc(Cl)ccc21)c1ccc(Br)cn1 ZINC000850495128 661779292 /nfs/dbraw/zinc/77/92/92/661779292.db2.gz WSZKKHDCZXJGLQ-GFCCVEGCSA-N 1 0 395.688 2.899 20 0 GFADRO COc1ccc([C@H](C)[C@H](C)[NH2+]CCS(=O)(=O)CC(F)(F)F)cc1OC ZINC000850517827 661780121 /nfs/dbraw/zinc/78/01/21/661780121.db2.gz DMAMUBIGDLYKID-NEPJUHHUSA-N 1 0 383.432 2.763 20 0 GFADRO COc1ccc([C@@H](C)[C@@H](C)[NH2+]CCS(=O)(=O)CC(F)(F)F)cc1OC ZINC000850517828 661780168 /nfs/dbraw/zinc/78/01/68/661780168.db2.gz DMAMUBIGDLYKID-NWDGAFQWSA-N 1 0 383.432 2.763 20 0 GFADRO COc1cc([C@@H](C)[NH2+]CCO[C@H]2CC2(F)F)ccc1S(=O)(=O)C(F)F ZINC000850518836 661780529 /nfs/dbraw/zinc/78/05/29/661780529.db2.gz FKIUIZYWVUDTJI-RNCFNFMXSA-N 1 0 385.379 2.766 20 0 GFADRO CCOC(=O)C(F)(F)[C@@H]1CC[C@@H]([NH2+]CC2(S(C)(=O)=O)CCCCC2)C1 ZINC000850531314 661781084 /nfs/dbraw/zinc/78/10/84/661781084.db2.gz IXZCKKXYPXHPRM-ZIAGYGMSSA-N 1 0 381.485 2.691 20 0 GFADRO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)Nc1cc(Cl)c(N)c(Cl)c1 ZINC000850666429 661785049 /nfs/dbraw/zinc/78/50/49/661785049.db2.gz KBKPCBNQJXXWRQ-NSHDSACASA-N 1 0 387.311 2.751 20 0 GFADRO Cn1c(Cl)cnc1-c1csc(NC(=O)N[C@@H]2CC[NH2+]C23CCCC3)n1 ZINC000850754613 661790575 /nfs/dbraw/zinc/79/05/75/661790575.db2.gz UAVRFDLTIXYYAF-LLVKDONJSA-N 1 0 380.905 2.993 20 0 GFADRO [NH3+]CCc1ccc(CNC(=O)c2ccc(C(F)(F)Br)nc2)cc1 ZINC000851632265 661826982 /nfs/dbraw/zinc/82/69/82/661826982.db2.gz KRESHGOYNRQSSQ-UHFFFAOYSA-N 1 0 384.224 2.957 20 0 GFADRO CCOP(=O)(OCC)[C@H](O)C[NH+]1CCC(NC(=O)c2ccsc2)CC1 ZINC000851735261 661829809 /nfs/dbraw/zinc/82/98/09/661829809.db2.gz QTBDZKGAZJARKA-HNNXBMFYSA-N 1 0 390.442 2.527 20 0 GFADRO NC(=O)[C@](O)(C[N@@H+]1CCSC[C@@H]1c1ccc(Cl)cc1)c1ccccc1 ZINC000851775807 661831542 /nfs/dbraw/zinc/83/15/42/661831542.db2.gz WRWDOZZGJHCMMH-MJGOQNOKSA-N 1 0 376.909 2.803 20 0 GFADRO NC(=O)[C@](O)(C[N@@H+]1CCC[C@@H]1c1ccccc1Br)c1ccccc1 ZINC000851808355 661833468 /nfs/dbraw/zinc/83/34/68/661833468.db2.gz MOLGHOZERVZUKB-MJGOQNOKSA-N 1 0 389.293 2.959 20 0 GFADRO O=C(Nc1ccc(Br)cc1)C1CC[NH+](C[C@@H]2CCC(=O)O2)CC1 ZINC000851834628 661836825 /nfs/dbraw/zinc/83/68/25/661836825.db2.gz YIXWZKMONKFXIY-HNNXBMFYSA-N 1 0 381.270 2.805 20 0 GFADRO O=S(=O)(NCC1CC[NH+](CC2CC2)CC1)c1ccc(C(F)(F)F)cn1 ZINC000851879765 661842455 /nfs/dbraw/zinc/84/24/55/661842455.db2.gz PFLNRDUJBAUIFN-UHFFFAOYSA-N 1 0 377.432 2.501 20 0 GFADRO CC(C)(C)OC(=O)NC[C@@H]([NH2+]CCn1cnc(Br)n1)C(C)(C)C ZINC000852011047 661849158 /nfs/dbraw/zinc/84/91/58/661849158.db2.gz ZHFDVIXETYMXIJ-LLVKDONJSA-N 1 0 390.326 2.570 20 0 GFADRO Cc1ccc2c(c1Br)CN(C(=O)NC[C@H]1C[N@@H+]3CCC[C@@H]3CO1)C2 ZINC000852064798 661851335 /nfs/dbraw/zinc/85/13/35/661851335.db2.gz FJPWFCYLXPBQMZ-CABCVRRESA-N 1 0 394.313 2.646 20 0 GFADRO COC(=O)c1ccc(Br)cc1C[N@H+](CCOCCO)C1CCC1 ZINC000852291169 661859492 /nfs/dbraw/zinc/85/94/92/661859492.db2.gz SFMFNRBWFZEGPD-UHFFFAOYSA-N 1 0 386.286 2.599 20 0 GFADRO O=C(N1CCC[C@H]([C@H]2CCCC[N@H+]2C[C@H](O)C(F)(F)F)C1)C(F)(F)F ZINC000852472325 661865537 /nfs/dbraw/zinc/86/55/37/661865537.db2.gz BYUGTMFJGHJBER-TUAOUCFPSA-N 1 0 376.341 2.565 20 0 GFADRO O=C1OCCN1C1CC[NH+](CCOc2cc(F)cc(Br)c2)CC1 ZINC000852721311 661871688 /nfs/dbraw/zinc/87/16/88/661871688.db2.gz LYGAVZJRRDQDNU-UHFFFAOYSA-N 1 0 387.249 2.884 20 0 GFADRO CC(C)[C@H]([NH2+]C[C@@H]1CCCN(S(C)(=O)=O)C1)[C@@H](O)c1ccc(Cl)cc1 ZINC000852730997 661872491 /nfs/dbraw/zinc/87/24/91/661872491.db2.gz HPBLDCKENSWSJB-WBAXXEDZSA-N 1 0 388.961 2.659 20 0 GFADRO C[C@@]1(C(=O)NC[C@@H]([NH3+])c2ccccc2)CC1(Br)Br ZINC000852796435 661874482 /nfs/dbraw/zinc/87/44/82/661874482.db2.gz SCDPODTTZBHJAJ-PWSUYJOCSA-N 1 0 376.092 2.699 20 0 GFADRO O=C(NC[C@H](O)c1cc(Cl)cc(Cl)c1)c1cc(C2CC[NH2+]CC2)no1 ZINC000852808161 661874876 /nfs/dbraw/zinc/87/48/76/661874876.db2.gz MEVNAWLEZJCLEV-HNNXBMFYSA-N 1 0 384.263 2.912 20 0 GFADRO O=C(C=C1CC[NH2+]CC1)Nc1cc(Br)ccc1N1CCOCC1 ZINC000852855849 661875949 /nfs/dbraw/zinc/87/59/49/661875949.db2.gz PMMQZSCAABCBFS-UHFFFAOYSA-N 1 0 380.286 2.534 20 0 GFADRO O=C(c1sccc1S(=O)(=O)C(F)F)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000852899765 661876611 /nfs/dbraw/zinc/87/66/11/661876611.db2.gz NEOLTXKTZWMPCH-LBPRGKRZSA-N 1 0 392.493 2.596 20 0 GFADRO C[C@]12CCN(C(=O)[C@H]3[NH2+]CCC3(C)C)C[C@H]1C2(Br)Br ZINC000852901536 661876803 /nfs/dbraw/zinc/87/68/03/661876803.db2.gz KAZBZHDFHIXAFX-BREBYQMCSA-N 1 0 394.151 2.729 20 0 GFADRO COCCC[N@H+](C)CCN1C(=O)[C@@H](c2cccc(Cl)c2Cl)N(C)C1=O ZINC000853086334 661881923 /nfs/dbraw/zinc/88/19/23/661881923.db2.gz HYNVWLYWPZZNFQ-OAHLLOKOSA-N 1 0 388.295 2.897 20 0 GFADRO C[NH+](C)[C@H](CNc1ccc2c(c1)S(=O)(=O)N=C2Cl)Cc1ccccc1 ZINC000853089532 661882059 /nfs/dbraw/zinc/88/20/59/661882059.db2.gz VIDVELUVZHWLKL-HNNXBMFYSA-N 1 0 377.897 2.959 20 0 GFADRO CC(C)N1CCO[C@@H](C(=[NH2+])NOCc2ncc(Br)cc2Cl)C1 ZINC000853685941 661897173 /nfs/dbraw/zinc/89/71/73/661897173.db2.gz REGIXNQAIKIUQN-CYBMUJFWSA-N 1 0 391.697 2.605 20 0 GFADRO COCC[NH+](CCOC)C1CCN(C(=O)CC[C@H]2CC2(Cl)Cl)CC1 ZINC000854440368 661933384 /nfs/dbraw/zinc/93/33/84/661933384.db2.gz QXHSCWFQWCQYTO-AWEZNQCLSA-N 1 0 381.344 2.546 20 0 GFADRO CN(C)CC[N@H+](C)CCCN(C)C(=O)c1c(Cl)nc2cc(Cl)ccn21 ZINC000854489944 661936448 /nfs/dbraw/zinc/93/64/48/661936448.db2.gz QQUVPPBTJOJCEE-UHFFFAOYSA-N 1 0 386.327 2.597 20 0 GFADRO C[NH+]1CCC2(CCN(C(=O)c3cnn(C(C)(C)C)c3Br)C2)CC1 ZINC000854500092 661937379 /nfs/dbraw/zinc/93/73/79/661937379.db2.gz JVTJCZDSRXYABW-UHFFFAOYSA-N 1 0 383.334 2.959 20 0 GFADRO CCCC[N@H+](C)C[C@@H](C)NC(=O)c1csc(I)n1 ZINC000854501271 661937411 /nfs/dbraw/zinc/93/74/11/661937411.db2.gz HVSSVUBXFUMVON-SECBINFHSA-N 1 0 381.283 2.598 20 0 GFADRO C[NH+]1CCC(N(Cc2ccccc2Br)C(=O)[C@@H](O)C2CC2)CC1 ZINC000854505117 661937633 /nfs/dbraw/zinc/93/76/33/661937633.db2.gz WWHJYVZIXAQUGV-KRWDZBQOSA-N 1 0 381.314 2.643 20 0 GFADRO O=C(NCc1cc(Br)no1)[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000854705973 661948852 /nfs/dbraw/zinc/94/88/52/661948852.db2.gz QZSJJXYFTOVNDG-HNNXBMFYSA-N 1 0 378.270 2.933 20 0 GFADRO Cc1nc(SCC(C)C)sc1CC(=O)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000854742525 661952870 /nfs/dbraw/zinc/95/28/70/661952870.db2.gz DUZVKVYEEFHDMR-OAHLLOKOSA-N 1 0 385.599 2.705 20 0 GFADRO CC(C)C[N@H+](C)CCCNC(=O)[C@]1(C)CC1(Br)Br ZINC000855010597 661965476 /nfs/dbraw/zinc/96/54/76/661965476.db2.gz DZSRMKQPKWOWLL-LBPRGKRZSA-N 1 0 384.156 2.977 20 0 GFADRO CN(CCC[NH+](C)C)CCNC(=O)Cc1ccc(Cl)cc1Br ZINC000855414444 661991379 /nfs/dbraw/zinc/99/13/79/661991379.db2.gz DDAMEBHRUHYGDC-UHFFFAOYSA-N 1 0 390.753 2.645 20 0 GFADRO C[NH+](C)C[C@@H]1COC2(CCCC2)CN1C(=O)c1nc(Br)cs1 ZINC000856411361 662032402 /nfs/dbraw/zinc/03/24/02/662032402.db2.gz VAKHISDDEWIUFW-LLVKDONJSA-N 1 0 388.331 2.621 20 0 GFADRO C[NH+](C)CCC[C@H]1CN(C(=O)c2cccnc2SC(F)(F)F)CCO1 ZINC000856428435 662033428 /nfs/dbraw/zinc/03/34/28/662033428.db2.gz AWPNMUZQKADJDY-LBPRGKRZSA-N 1 0 377.432 2.876 20 0 GFADRO C[C@@H]([NH2+]C[C@H]1CCN(S(C)(=O)=O)C1)c1ccc(C(F)(F)F)nc1Cl ZINC000856777239 662043619 /nfs/dbraw/zinc/04/36/19/662043619.db2.gz SGBXSQOKLQZRMG-NXEZZACHSA-N 1 0 385.839 2.686 20 0 GFADRO C[C@@H]([NH2+]CCC(=O)N1CCN(C)CC1)c1ccc(C(F)(F)F)nc1Cl ZINC000856778861 662043698 /nfs/dbraw/zinc/04/36/98/662043698.db2.gz QXQSDFFWWMMQOP-LLVKDONJSA-N 1 0 378.826 2.569 20 0 GFADRO C[C@H]([NH2+]C[C@H](O)COC[C@@H]1CCCO1)c1ccc(C(F)(F)F)nc1Cl ZINC000856779611 662043984 /nfs/dbraw/zinc/04/39/84/662043984.db2.gz AAEMCJRCCIXLFG-SRVKXCTJSA-N 1 0 382.810 2.961 20 0 GFADRO O=C(NCC[C@@H]1CC1(Cl)Cl)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000856869994 662048591 /nfs/dbraw/zinc/04/85/91/662048591.db2.gz DMTFIIPWFQNWDF-CQSZACIVSA-N 1 0 378.344 2.761 20 0 GFADRO O=C(NCC[C@H]1CC1(Cl)Cl)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000856869993 662048601 /nfs/dbraw/zinc/04/86/01/662048601.db2.gz DMTFIIPWFQNWDF-AWEZNQCLSA-N 1 0 378.344 2.761 20 0 GFADRO C[C@H]([NH3+])CCNC(=O)N1CCC[C@@H]1c1ccc(I)cc1 ZINC000857111779 662063768 /nfs/dbraw/zinc/06/37/68/662063768.db2.gz VYEFXJXDKZJVEE-SMDDNHRTSA-N 1 0 387.265 2.875 20 0 GFADRO C[C@H]([NH3+])CCNC(=O)N1CCC(C(=O)Nc2cccc(Br)c2)CC1 ZINC000857114952 662063916 /nfs/dbraw/zinc/06/39/16/662063916.db2.gz CEXYVDQTBHLZAD-LBPRGKRZSA-N 1 0 397.317 2.547 20 0 GFADRO CCN1CCC([NH+]2CCC(C(=O)NCC[C@@H]3CC3(Cl)Cl)CC2)CC1 ZINC000857384699 662078403 /nfs/dbraw/zinc/07/84/03/662078403.db2.gz WRDNMAUCBCFFBB-OAHLLOKOSA-N 1 0 376.372 2.883 20 0 GFADRO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)c2nc(Br)cs2)cc1 ZINC000857769184 662090210 /nfs/dbraw/zinc/09/02/10/662090210.db2.gz FHQWFPAOLFUQON-STQMWFEESA-N 1 0 396.310 2.790 20 0 GFADRO COCCCOCC(=O)N1C[C@H]([NH+](C)C)CCc2cc(Br)ccc21 ZINC000857880851 662093390 /nfs/dbraw/zinc/09/33/90/662093390.db2.gz NBIPOYMIQKKFRR-MRXNPFEDSA-N 1 0 399.329 2.712 20 0 GFADRO C[NH+](C)[C@@H]1CCc2cc(Br)ccc2N(C(=O)COCC(F)F)C1 ZINC000857880726 662093401 /nfs/dbraw/zinc/09/34/01/662093401.db2.gz MNDBQMROASQMEF-CYBMUJFWSA-N 1 0 391.256 2.940 20 0 GFADRO CC(=O)CSCC(=O)N1C[C@H]([NH+](C)C)CCc2cc(Br)ccc21 ZINC000857880927 662093410 /nfs/dbraw/zinc/09/34/10/662093410.db2.gz PIYRZPCCCFTTII-OAHLLOKOSA-N 1 0 399.354 2.981 20 0 GFADRO C[NH+](C)[C@@H]1CCc2ccccc2N(C(=O)CCn2cc(Br)cn2)C1 ZINC000857931456 662094743 /nfs/dbraw/zinc/09/47/43/662094743.db2.gz WIVDVUWQHLZJJN-MRXNPFEDSA-N 1 0 391.313 2.945 20 0 GFADRO Brc1ccc(-c2n[nH]cc2CNC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)s1 ZINC000858127373 662100085 /nfs/dbraw/zinc/10/00/85/662100085.db2.gz ZBAGJPVQDMYHGU-QWHCGFSZSA-N 1 0 397.342 2.854 20 0 GFADRO O=S(=O)(N1CCC(C[NH2+]Cc2ccc3cc[nH]c3c2)CC1)C(F)(F)F ZINC000858134248 662100375 /nfs/dbraw/zinc/10/03/75/662100375.db2.gz MZTOPSKEMZZXHO-UHFFFAOYSA-N 1 0 375.416 2.819 20 0 GFADRO Cn1cc(C[NH2+]C[C@@H]2C[C@H](F)CN2C(=O)OC(C)(C)C)c(Br)n1 ZINC000858168438 662102710 /nfs/dbraw/zinc/10/27/10/662102710.db2.gz JTTVQQZPRMPMFE-RYUDHWBXSA-N 1 0 391.285 2.620 20 0 GFADRO Cc1cc(C[NH2+]CC(C)(C)[C@@H]2COCC23OCCO3)ncc1Br ZINC000858178340 662103299 /nfs/dbraw/zinc/10/32/99/662103299.db2.gz VCGPFWSMMHHWMJ-HNNXBMFYSA-N 1 0 385.302 2.658 20 0 GFADRO Cc1nn(Cc2ccccc2Cl)c(Cl)c1C[NH2+]C[C@@H]1COCCN1C ZINC000858276654 662107082 /nfs/dbraw/zinc/10/70/82/662107082.db2.gz UBIKCHNYSWWESK-OAHLLOKOSA-N 1 0 383.323 2.967 20 0 GFADRO COc1ccc(S(=O)(=O)N2CCC([NH2+][C@H](C)c3ccns3)CC2)cc1 ZINC000858575977 662115235 /nfs/dbraw/zinc/11/52/35/662115235.db2.gz GVWPICUYHSXJNQ-CYBMUJFWSA-N 1 0 381.523 2.656 20 0 GFADRO Cc1cc(Br)c(F)cc1S(=O)(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000858611814 662116378 /nfs/dbraw/zinc/11/63/78/662116378.db2.gz SIGKLXZHQANIOI-UHFFFAOYSA-N 1 0 391.306 2.661 20 0 GFADRO C[C@]12C[NH2+]C[C@@]1(C)CN(S(=O)(=O)/C=C/c1cccc(Br)c1)C2 ZINC000858636889 662117572 /nfs/dbraw/zinc/11/75/72/662117572.db2.gz XFYWDQITNPEPDG-MHJFZZRGSA-N 1 0 385.327 2.681 20 0 GFADRO C[C@H]([NH3+])CN(C)S(=O)(=O)c1csc(-c2cccc(Br)c2)n1 ZINC000858641189 662117577 /nfs/dbraw/zinc/11/75/77/662117577.db2.gz BZTLUZXYEOBXSC-VIFPVBQESA-N 1 0 390.328 2.540 20 0 GFADRO COC(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)cc1Cl ZINC000859052242 662134062 /nfs/dbraw/zinc/13/40/62/662134062.db2.gz BXNHQTNAWATOBQ-VXGBXAGGSA-N 1 0 389.905 2.669 20 0 GFADRO CC[C@@H](C(=O)N[C@@H](C)CN1CC[NH+](C)CC1)c1ccc(Br)cc1 ZINC000859262065 662148761 /nfs/dbraw/zinc/14/87/61/662148761.db2.gz IRCUEYROYALWMW-WMLDXEAASA-N 1 0 382.346 2.695 20 0 GFADRO C[NH+](C)CCN(Cc1ccccn1)C(=O)c1cc(Br)cnc1F ZINC000859266201 662148876 /nfs/dbraw/zinc/14/88/76/662148876.db2.gz YOQRBZCEXGCHBN-UHFFFAOYSA-N 1 0 381.249 2.582 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)Nc2ccc(Br)nc2)CC[C@@H]1C(F)(F)F ZINC000859663563 662171642 /nfs/dbraw/zinc/17/16/42/662171642.db2.gz RASPMABKXCRNJL-SCZZXKLOSA-N 1 0 381.196 2.835 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)Nc2cccc(Br)n2)CC[C@H]1C(F)(F)F ZINC000859677538 662172121 /nfs/dbraw/zinc/17/21/21/662172121.db2.gz JYEPJGPVBCDZLA-DTWKUNHWSA-N 1 0 381.196 2.835 20 0 GFADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)[C@@H]1C[C@]1(C)Br ZINC000859750292 662174428 /nfs/dbraw/zinc/17/44/28/662174428.db2.gz TXBYNNRRIABBHE-KSSFIOAISA-N 1 0 396.329 2.949 20 0 GFADRO C[N@H+](CCNC(=O)c1cc(Br)cnc1F)Cc1ccc(F)cc1 ZINC000859882681 662177646 /nfs/dbraw/zinc/17/76/46/662177646.db2.gz UXWZXXXFHYRDFE-UHFFFAOYSA-N 1 0 384.224 2.984 20 0 GFADRO C[C@@H]1C[N@@H+](CCCCNC(=O)c2cc(Br)cnc2F)C[C@H](C)O1 ZINC000859943072 662179673 /nfs/dbraw/zinc/17/96/73/662179673.db2.gz WVOVOFHPISPPIY-TXEJJXNPSA-N 1 0 388.281 2.602 20 0 GFADRO CC(C)[N@@H+]1CCC[C@H](NC(=O)c2cc(Br)c3ncc(C=O)n3c2)C1 ZINC000860886415 662219558 /nfs/dbraw/zinc/21/95/58/662219558.db2.gz GIWXSUGMCRWAEI-ZDUSSCGKSA-N 1 0 393.285 2.512 20 0 GFADRO COCC[N@H+](C)CCCC1CCN(Cc2cn(C)nc2Br)CC1 ZINC000862250869 662277565 /nfs/dbraw/zinc/27/75/65/662277565.db2.gz WAKPIQJJAXPXDF-UHFFFAOYSA-N 1 0 387.366 2.753 20 0 GFADRO CC[N@H+](C[C@@H](O)C(F)(F)F)C[C@@H]1CC(F)(F)CN1C(=O)OC(C)(C)C ZINC000862332160 662280890 /nfs/dbraw/zinc/28/08/90/662280890.db2.gz FVALDJFABBQMRI-WDEREUQCSA-N 1 0 376.366 2.876 20 0 GFADRO CC(C)[NH+]1CCC(C(=O)NN2Cc3ccc(Br)cc3C2=O)CC1 ZINC000862644292 662295877 /nfs/dbraw/zinc/29/58/77/662295877.db2.gz MJRPQLNRLISKKT-UHFFFAOYSA-N 1 0 380.286 2.557 20 0 GFADRO C[C@H]([NH3+])CN(C)CC(=O)Nc1ccc(Oc2ccc(Br)cc2)nc1 ZINC000863567097 662336863 /nfs/dbraw/zinc/33/68/63/662336863.db2.gz BUEJMKDTIYBAQX-LBPRGKRZSA-N 1 0 393.285 2.854 20 0 GFADRO O=C(Cc1noc([C@@H](F)[C@H]2CC[NH2+]C2)n1)Nc1ccccc1Br ZINC000863670250 662343183 /nfs/dbraw/zinc/34/31/83/662343183.db2.gz KMGLGEMHVSSCIG-XPTSAGLGSA-N 1 0 383.221 2.633 20 0 GFADRO [NH3+][C@H]1CC=C(c2nc(COc3ccc(I)cc3)no2)C1 ZINC000863672859 662343877 /nfs/dbraw/zinc/34/38/77/662343877.db2.gz NSDWDOGISILATM-NSHDSACASA-N 1 0 383.189 2.758 20 0 GFADRO C[NH+]1C[C@]2(C)CN(C(=O)[C@]3(C)CC3(Br)Br)C[C@@]2(C)C1 ZINC000864077647 662353731 /nfs/dbraw/zinc/35/37/31/662353731.db2.gz PLADVDCWTCMLHJ-UPJWGTAASA-N 1 0 394.151 2.683 20 0 GFADRO CC1(C)[C@@H]2[NH2+]CCC[C@H]2[C@@H]1NC(=O)c1cc2c(cc1Br)OCO2 ZINC000864088550 662354253 /nfs/dbraw/zinc/35/42/53/662354253.db2.gz DUKFHORDAQKELZ-ZWZTZDBGSA-N 1 0 381.270 2.684 20 0 GFADRO C[NH+](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(Cl)c(N)c(Cl)c1 ZINC000864963447 662392717 /nfs/dbraw/zinc/39/27/17/662392717.db2.gz GGEPAKJLLHVYFE-LBPRGKRZSA-N 1 0 391.299 2.969 20 0 GFADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1oc2ccccc2c1Br ZINC000865061096 662396899 /nfs/dbraw/zinc/39/68/99/662396899.db2.gz VEMYYJSZQQUMCX-VXGBXAGGSA-N 1 0 379.254 2.788 20 0 GFADRO C[NH+]1CCC(NC(=O)CSc2cc(Cl)c(N)cc2Br)CC1 ZINC000865368617 662416536 /nfs/dbraw/zinc/41/65/36/662416536.db2.gz BGAIDAKYGKFWIW-UHFFFAOYSA-N 1 0 392.750 2.987 20 0 GFADRO C[C@@H](Cc1ccc(Br)cc1)[NH2+]Cc1cn(C[C@@H]2CCCO2)nn1 ZINC000865414525 662419695 /nfs/dbraw/zinc/41/96/95/662419695.db2.gz ABXPBUDRCJDQAX-GUYCJALGSA-N 1 0 379.302 2.940 20 0 GFADRO CC(C)C[NH+]1CCC(Nc2ccc(Br)cc2S(N)(=O)=O)CC1 ZINC000865426790 662420950 /nfs/dbraw/zinc/42/09/50/662420950.db2.gz FORQFVIZHZGHDD-UHFFFAOYSA-N 1 0 390.347 2.629 20 0 GFADRO Fc1cc(Br)ccc1CC[NH2+]Cc1cn(C[C@@H]2CCCO2)nn1 ZINC000865456890 662422712 /nfs/dbraw/zinc/42/27/12/662422712.db2.gz UNZCTIREPBBOEW-HNNXBMFYSA-N 1 0 383.265 2.691 20 0 GFADRO COc1ccc(C[C@@](C)(O)C[NH2+]Cc2cccnc2Br)cc1OC ZINC000865574089 662430227 /nfs/dbraw/zinc/43/02/27/662430227.db2.gz PZKCQIWGQQXSMQ-GOSISDBHSA-N 1 0 395.297 2.945 20 0 GFADRO COc1ccc(C[C@H](CO)C[NH2+]Cc2cn(C3CC3)cn2)cc1Br ZINC000865592003 662431073 /nfs/dbraw/zinc/43/10/73/662431073.db2.gz QFHXTDAQVXBHQW-AWEZNQCLSA-N 1 0 394.313 2.930 20 0 GFADRO CC(C)(C)n1cc(C[NH2+][C@@](C)(CO)Cc2ccc(Br)cc2)nn1 ZINC000865714964 662438349 /nfs/dbraw/zinc/43/83/49/662438349.db2.gz GXDUGKUKZLPEMB-QGZVFWFLSA-N 1 0 381.318 2.879 20 0 GFADRO CC(C)(C)OC(=O)CN1CCC([NH2+]Cc2ncc(Br)s2)CC1 ZINC000865776600 662442753 /nfs/dbraw/zinc/44/27/53/662442753.db2.gz CFZIADOTBCKPDS-UHFFFAOYSA-N 1 0 390.347 2.801 20 0 GFADRO Brc1cc2c(cc1C[NH2+]C[C@@H]1CC3(CO1)CCOCC3)OCO2 ZINC000865781799 662442959 /nfs/dbraw/zinc/44/29/59/662442959.db2.gz SFVFPHHVYARXOA-ZDUSSCGKSA-N 1 0 384.270 2.853 20 0 GFADRO C[NH+](C)CCOC1CCN(C(=O)c2cc(F)c(Br)cc2F)CC1 ZINC000865780085 662443041 /nfs/dbraw/zinc/44/30/41/662443041.db2.gz UAYURDTVGBCMDL-UHFFFAOYSA-N 1 0 391.256 2.910 20 0 GFADRO COc1ccc(C[NH2+]C[C@@H]2CC3(CO2)CCOCC3)c(Br)c1O ZINC000865779859 662443129 /nfs/dbraw/zinc/44/31/29/662443129.db2.gz PWDOGAOXZKBBMK-ZDUSSCGKSA-N 1 0 386.286 2.839 20 0 GFADRO Cn1cc(CC[NH2+]Cc2ncc(I)s2)c2cccnc21 ZINC000865812625 662444917 /nfs/dbraw/zinc/44/49/17/662444917.db2.gz UBHDCLAYSDJWTR-UHFFFAOYSA-N 1 0 398.273 2.967 20 0 GFADRO CNS(=O)(=O)c1ccc(CC[NH2+]Cc2ccsc2Br)cc1 ZINC000865817631 662445192 /nfs/dbraw/zinc/44/51/92/662445192.db2.gz LLQIMVYDYQASAS-UHFFFAOYSA-N 1 0 389.340 2.751 20 0 GFADRO CC[C@@H](C[C@@H](C)O)[NH2+]Cc1cc(I)c(OC)c(OC)c1 ZINC000865873375 662448951 /nfs/dbraw/zinc/44/89/51/662448951.db2.gz XRFATWJINZHHKH-PWSUYJOCSA-N 1 0 393.265 2.948 20 0 GFADRO CC[C@@H](C[C@H](C)O)[NH2+]Cc1cc(I)c(OC)c(OC)c1 ZINC000865873374 662448976 /nfs/dbraw/zinc/44/89/76/662448976.db2.gz XRFATWJINZHHKH-JQWIXIFHSA-N 1 0 393.265 2.948 20 0 GFADRO CC(=O)N[C@H](C(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1)c1cccc(Br)c1 ZINC000866050304 662458630 /nfs/dbraw/zinc/45/86/30/662458630.db2.gz YQSHWOSCNRJCPN-DQYPLSBCSA-N 1 0 396.329 2.567 20 0 GFADRO CN(C1CC[NH+](C)CC1)S(=O)(=O)c1oc2ccccc2c1Br ZINC000866372518 662469324 /nfs/dbraw/zinc/46/93/24/662469324.db2.gz HWMBPEYBBRLIFO-UHFFFAOYSA-N 1 0 387.299 2.910 20 0 GFADRO C[C@H](CC1CCC1)[NH2+][C@@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000866486537 662476583 /nfs/dbraw/zinc/47/65/83/662476583.db2.gz KLVVEIGGBATWJK-KGLIPLIRSA-N 1 0 388.555 2.642 20 0 GFADRO O=S(=O)(c1ccccc1)[C@H]1C[C@H]([NH2+]C2CCC(O)(C(F)(F)F)CC2)C1 ZINC000866519149 662478386 /nfs/dbraw/zinc/47/83/86/662478386.db2.gz NCRABRUUEVIODG-YFBPEHEXSA-N 1 0 377.428 2.817 20 0 GFADRO C[C@@H]([NH2+]C[C@]12COC(=O)N1CCOC2)c1ccc(Br)c(Cl)c1 ZINC000866523910 662479019 /nfs/dbraw/zinc/47/90/19/662479019.db2.gz WXSSMYIEHXGQLU-BMIGLBTASA-N 1 0 389.677 2.974 20 0 GFADRO C[N@H+](Cc1ccccc1CNS(=O)(=O)N=S(C)(C)=O)C1CCCCC1 ZINC000866570436 662480853 /nfs/dbraw/zinc/48/08/53/662480853.db2.gz HIGKLKLWJFENIX-UHFFFAOYSA-N 1 0 387.571 2.513 20 0 GFADRO COC[C@H]([NH2+]C1CCN(C(=O)N(C)C)CC1)c1cccc(Br)c1 ZINC000866597452 662482899 /nfs/dbraw/zinc/48/28/99/662482899.db2.gz SWWKYBKPGWQWRI-INIZCTEOSA-N 1 0 384.318 2.872 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCCN(S(=O)(=O)c2oc3ccccc3c2Br)C1 ZINC000866740369 662493312 /nfs/dbraw/zinc/49/33/12/662493312.db2.gz ROEWUORYWBOWQQ-WDEREUQCSA-N 1 0 387.299 2.943 20 0 GFADRO [NH3+]C[C@@H]1c2ccccc2CCN1S(=O)(=O)c1cc2nc(Cl)ncc2s1 ZINC000866773728 662496824 /nfs/dbraw/zinc/49/68/24/662496824.db2.gz JCIKOFTUIVPRIT-CYBMUJFWSA-N 1 0 394.909 2.592 20 0 GFADRO COc1ccc2nc(Cl)ccc2c1S(=O)(=O)N[C@H](C)C1CC[NH2+]CC1 ZINC000866811623 662500840 /nfs/dbraw/zinc/50/08/40/662500840.db2.gz FFYLDQGSXOSNJX-LLVKDONJSA-N 1 0 383.901 2.563 20 0 GFADRO CC(C)(C)[C@]1(C[NH3+])CCN(S(=O)(=O)c2cc(F)ccc2OC(F)F)C1 ZINC000866813914 662501383 /nfs/dbraw/zinc/50/13/83/662501383.db2.gz GLNLCRXEBVOJFL-INIZCTEOSA-N 1 0 380.432 2.813 20 0 GFADRO CC(C)(C)[C@]1(C[NH3+])CCN(S(=O)(=O)c2ccccc2Br)C1 ZINC000866817990 662501565 /nfs/dbraw/zinc/50/15/65/662501565.db2.gz YMYFKZXXUUWUPA-HNNXBMFYSA-N 1 0 375.332 2.835 20 0 GFADRO [NH3+]C[C@@H]1Cc2ccccc2N(S(=O)(=O)c2cc3nc(Cl)ncc3s2)C1 ZINC000866825189 662502228 /nfs/dbraw/zinc/50/22/28/662502228.db2.gz YOJYQRLIPQWPDC-JTQLQIEISA-N 1 0 394.909 2.671 20 0 GFADRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2S(=O)(=O)c2ccc3ccnc(Cl)c3c2)C1 ZINC000866985945 662514695 /nfs/dbraw/zinc/51/46/95/662514695.db2.gz NNGPOPFNQANPBZ-YOEHRIQHSA-N 1 0 379.913 2.993 20 0 GFADRO C[NH+](C)CCc1ccc(CNS(=O)(=O)C[C@@]2(C)CC2(Cl)Cl)cc1 ZINC000867162496 662527903 /nfs/dbraw/zinc/52/79/03/662527903.db2.gz NJHOZJYHSRXUTF-OAHLLOKOSA-N 1 0 379.353 2.794 20 0 GFADRO CN(C(C)(C)C[NH+]1CCCC1)S(=O)(=O)c1cc2nc(Cl)ncc2s1 ZINC000867416785 662548644 /nfs/dbraw/zinc/54/86/44/662548644.db2.gz VZAKTMXREQUZIF-UHFFFAOYSA-N 1 0 388.946 2.840 20 0 GFADRO O=S(=O)(c1cnc(Cl)c(Cl)c1)N1CCCN(c2cc[nH+]cc2)CC1 ZINC000867705346 662568225 /nfs/dbraw/zinc/56/82/25/662568225.db2.gz KYVGHQNVCPVGIV-UHFFFAOYSA-N 1 0 387.292 2.684 20 0 GFADRO C[C@@H]1C[N@H+](CCCNC(=O)c2cc(F)c(Br)cc2F)CCCO1 ZINC000867827918 662580511 /nfs/dbraw/zinc/58/05/11/662580511.db2.gz WCZPJPVTRTYBFU-LLVKDONJSA-N 1 0 391.256 2.958 20 0 GFADRO O=C(NC[C@@H]1CCC[NH2+]C1)c1c(F)ccc(I)c1Cl ZINC000867964124 662589833 /nfs/dbraw/zinc/58/98/33/662589833.db2.gz JOCGLPGZBZIDRS-MRVPVSSYSA-N 1 0 396.631 2.813 20 0 GFADRO O=C(NCC1=CC[NH2+]CC1)c1c(F)ccc(I)c1Cl ZINC000867970030 662589945 /nfs/dbraw/zinc/58/99/45/662589945.db2.gz WLPRGOJFEOGPOZ-UHFFFAOYSA-N 1 0 394.615 2.733 20 0 GFADRO Cc1cc2c(CC(=O)N3CCCC[C@@H]3CNC(=O)CC[NH3+])csc2s1 ZINC000867972379 662590107 /nfs/dbraw/zinc/59/01/07/662590107.db2.gz YOOJWFFNDSFFQX-CQSZACIVSA-N 1 0 379.551 2.660 20 0 GFADRO COCCC1(NC(=O)[C@@H]2[C@@H]3Cc4ccc(Br)cc4[C@@H]32)CC[NH2+]CC1 ZINC000868043705 662592411 /nfs/dbraw/zinc/59/24/11/662592411.db2.gz RDJKECGDTJFRNP-IXDOHACOSA-N 1 0 393.325 2.610 20 0 GFADRO COc1ccc(Br)c(CNC(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)c1 ZINC000868066871 662593388 /nfs/dbraw/zinc/59/33/88/662593388.db2.gz QWRKYZCSPHSOFF-BLLLJJGKSA-N 1 0 382.302 2.693 20 0 GFADRO CC1(C)CC[C@@H](CNC(=O)Nc2ccc(NS(C)(=O)=O)c(Cl)c2)[NH2+]C1 ZINC000868125734 662595308 /nfs/dbraw/zinc/59/53/08/662595308.db2.gz KJVHVIXBKXULCV-LBPRGKRZSA-N 1 0 388.921 2.611 20 0 GFADRO COC(=O)c1cc(Br)ccc1NC(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000868136705 662595645 /nfs/dbraw/zinc/59/56/45/662595645.db2.gz QXIYWJBYMYXLDC-KGLIPLIRSA-N 1 0 382.258 2.594 20 0 GFADRO CSc1nc2ccc(NC(=O)C(=O)NC3(C[NH3+])CCCCC3)cc2s1 ZINC000868298844 662601089 /nfs/dbraw/zinc/60/10/89/662601089.db2.gz WWDFMIHJTKJUKY-UHFFFAOYSA-N 1 0 378.523 2.735 20 0 GFADRO C[C@H](CNC(=O)NCc1ncc(Br)s1)C[NH+]1CCCCC1 ZINC000868361439 662602974 /nfs/dbraw/zinc/60/29/74/662602974.db2.gz YYUXHQSYHGOGOL-LLVKDONJSA-N 1 0 375.336 2.827 20 0 GFADRO O=C(NCc1ncc(Br)s1)NC[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000868792109 662619374 /nfs/dbraw/zinc/61/93/74/662619374.db2.gz ZOHKUMYPOHXADZ-ZDUSSCGKSA-N 1 0 395.326 2.979 20 0 GFADRO COCCN(CC1CC[NH+](C)CC1)C(=O)c1cscc1Br ZINC000869763302 662660678 /nfs/dbraw/zinc/66/06/78/662660678.db2.gz RMQUOSBJUDCYOF-UHFFFAOYSA-N 1 0 375.332 2.941 20 0 GFADRO C[C@@H](Sc1nc2ccccc2s1)C(=O)N[C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC000869778469 662661207 /nfs/dbraw/zinc/66/12/07/662661207.db2.gz BCKPYFGOJLRWFF-OLZOCXBDSA-N 1 0 379.551 2.738 20 0 GFADRO C[C@H](C[C@H]1CCCC[N@@H+]1C)OC(=O)c1c(Br)nc2n1CCOC2 ZINC000870784990 662701616 /nfs/dbraw/zinc/70/16/16/662701616.db2.gz KPUFMXWFWGDVDX-VXGBXAGGSA-N 1 0 386.290 2.596 20 0 GFADRO C[C@@H]1CN(C(=O)c2c(F)ccc(I)c2Cl)CC[C@H]1[NH3+] ZINC000870936436 662709067 /nfs/dbraw/zinc/70/90/67/662709067.db2.gz JIFOTVKXNPECLP-GMSGAONNSA-N 1 0 396.631 2.893 20 0 GFADRO C[C@H]1C[C@@H](NC(=O)c2c(F)ccc(I)c2Cl)CC[NH2+]1 ZINC000870942285 662709706 /nfs/dbraw/zinc/70/97/06/662709706.db2.gz KFVWNPORYAXBCF-YUMQZZPRSA-N 1 0 396.631 2.954 20 0 GFADRO O=C(c1cc(Br)cn2ccnc12)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000870853333 662703593 /nfs/dbraw/zinc/70/35/93/662703593.db2.gz XZAARBXNKVVQCT-OAHLLOKOSA-N 1 0 377.286 2.701 20 0 GFADRO CCN(CC)C(=O)C1CCN(C(=O)[C@@H]([NH3+])c2cccc(Br)c2)CC1 ZINC000870875559 662704403 /nfs/dbraw/zinc/70/44/03/662704403.db2.gz GHABRKOZVRHQHW-INIZCTEOSA-N 1 0 396.329 2.556 20 0 GFADRO O=C(CCC12CC(C1)C[NH2+]2)N[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000870881296 662704620 /nfs/dbraw/zinc/70/46/20/662704620.db2.gz NBOMRKXRBDNDOD-DBQDNQAGSA-N 1 0 378.314 2.676 20 0 GFADRO C[C@H](NC(=O)[C@@H]([NH3+])c1cccc(Br)c1)[C@@H](O)Cc1ccccc1 ZINC000870910251 662707693 /nfs/dbraw/zinc/70/76/93/662707693.db2.gz MNIHIZRNLFQSPH-ZLIFDBKOSA-N 1 0 377.282 2.557 20 0 GFADRO O=C([C@@H]1[C@@H]2Cc3ccc(Br)cc3[C@@H]21)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000870913927 662707908 /nfs/dbraw/zinc/70/79/08/662707908.db2.gz HWASKOFNRJBUAY-NTDBWNAOSA-N 1 0 375.310 2.937 20 0 GFADRO Cc1ccc(NC(=O)c2csc(C3CC[NH2+]CC3)n2)cc1S(C)(=O)=O ZINC000870910429 662707920 /nfs/dbraw/zinc/70/79/20/662707920.db2.gz MSHOBMRRAFMOJB-UHFFFAOYSA-N 1 0 379.507 2.574 20 0 GFADRO O=C(CCC12CC(C1)C[NH2+]2)NCc1nc(-c2cccc(Br)c2)no1 ZINC000870931443 662708734 /nfs/dbraw/zinc/70/87/34/662708734.db2.gz FBYBHVYPONCMTP-UHFFFAOYSA-N 1 0 391.269 2.648 20 0 GFADRO [NH3+][C@H](C(=O)NCc1cccnc1N1CCCC1)c1cccc(Br)c1 ZINC000870952768 662711429 /nfs/dbraw/zinc/71/14/29/662711429.db2.gz WZMFIIAZUSNBQK-INIZCTEOSA-N 1 0 389.297 2.761 20 0 GFADRO O=C(NCC12CC(C1)C[NH2+]2)c1ccc(OC(F)(F)F)cc1Br ZINC000870956629 662711459 /nfs/dbraw/zinc/71/14/59/662711459.db2.gz ATXQLVXANPVVAF-UHFFFAOYSA-N 1 0 379.176 2.830 20 0 GFADRO CC(C)[NH+]1CCC(CCNC(=O)c2ccc(Cl)c(S(C)(=O)=O)c2)CC1 ZINC000870960786 662711476 /nfs/dbraw/zinc/71/14/76/662711476.db2.gz NFHXTLCWMWEPJK-UHFFFAOYSA-N 1 0 386.945 2.984 20 0 GFADRO CC(C)[NH+]1CCC(CCNC(=O)c2cc(S(C)(=O)=O)ccc2Cl)CC1 ZINC000870960902 662711715 /nfs/dbraw/zinc/71/17/15/662711715.db2.gz RPNJXWUHHQHTQG-UHFFFAOYSA-N 1 0 386.945 2.984 20 0 GFADRO O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1CCOc2ccc(Br)cc21 ZINC000870973533 662711829 /nfs/dbraw/zinc/71/18/29/662711829.db2.gz ZRPHXQOAAAHNAI-ATGSNQNLSA-N 1 0 379.298 2.962 20 0 GFADRO COc1ccc(Br)cc1C(=O)CCC(=O)N[C@H](C)C1CC[NH2+]CC1 ZINC000870983868 662712128 /nfs/dbraw/zinc/71/21/28/662712128.db2.gz BMLINUADHHXZOV-GFCCVEGCSA-N 1 0 397.313 2.925 20 0 GFADRO O=C(N[C@@H]1COc2cccc(Br)c2C1)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000871007804 662712605 /nfs/dbraw/zinc/71/26/05/662712605.db2.gz JSBLNJCBTOTKNF-MELADBBJSA-N 1 0 379.298 2.505 20 0 GFADRO C[N@@H+]1CCN(C(=O)c2ccc(Br)cc2-n2cncn2)CCC1(C)C ZINC000871154857 662716343 /nfs/dbraw/zinc/71/63/43/662716343.db2.gz LTILKPIHLDLADR-UHFFFAOYSA-N 1 0 392.301 2.586 20 0 GFADRO COc1ncc(Br)cc1CON=C(N)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000871784738 662733797 /nfs/dbraw/zinc/73/37/97/662733797.db2.gz JTIBPPSIYXFYDF-FTNCPSPGSA-N 1 0 383.290 2.724 20 0 GFADRO [NH3+]C[C@H]1CN(S(=O)(=O)c2cc(Cl)cc(Cl)c2)C[C@H]1C(F)(F)F ZINC000871811486 662734812 /nfs/dbraw/zinc/73/48/12/662734812.db2.gz PCZIUIVYBRJPHE-WRWORJQWSA-N 1 0 377.215 2.751 20 0 GFADRO CSc1ccc(S(=O)(=O)N2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)cc1Cl ZINC000871815039 662735648 /nfs/dbraw/zinc/73/56/48/662735648.db2.gz ZDXVXOCVZPHPGL-WCBMZHEXSA-N 1 0 388.864 2.820 20 0 GFADRO O[C@H](Cn1ccc(C(F)(F)Br)n1)C[N@@H+]1CCc2ccccc2C1 ZINC000871986121 662749386 /nfs/dbraw/zinc/74/93/86/662749386.db2.gz CFQZGVFAMXVQGT-AWEZNQCLSA-N 1 0 386.240 2.747 20 0 GFADRO CCOC(=O)[C@@H](C)C1C[NH+](C[C@@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000871993775 662750099 /nfs/dbraw/zinc/75/00/99/662750099.db2.gz QBALTKPSBSAOKC-SMDDNHRTSA-N 1 0 376.280 2.864 20 0 GFADRO OC1CCN(CCC[NH2+][C@H](c2cccc(Br)c2)[C@@H]2CCOC2)CC1 ZINC000872028699 662754132 /nfs/dbraw/zinc/75/41/32/662754132.db2.gz SAJZEHZLGOJRBY-VQIMIIECSA-N 1 0 397.357 2.963 20 0 GFADRO O=C1OCCN1CCC[NH2+][C@H](c1cccc(Br)c1)[C@@H]1CCOC1 ZINC000872032395 662754268 /nfs/dbraw/zinc/75/42/68/662754268.db2.gz SGULHFOPWQCDNG-GDBMZVCRSA-N 1 0 383.286 2.959 20 0 GFADRO O[C@H](C[NH2+][C@H](c1cccc(Br)c1)[C@@H]1CCOC1)COCC1CC1 ZINC000872031802 662754304 /nfs/dbraw/zinc/75/43/04/662754304.db2.gz TYQNMABPEYLPPO-KBAYOESNSA-N 1 0 384.314 2.904 20 0 GFADRO CS(=O)(=O)C1(C[NH2+][C@@H](c2cccc(Br)c2)[C@@H]2CCOC2)CC1 ZINC000872069270 662755116 /nfs/dbraw/zinc/75/51/16/662755116.db2.gz OHFGQLMYZVVUBU-HIFRSBDPSA-N 1 0 388.327 2.694 20 0 GFADRO OCCN1CCCC[C@@H]1C[NH2+][C@@H](c1cccc(Br)c1)[C@@H]1CCOC1 ZINC000872075480 662755266 /nfs/dbraw/zinc/75/52/66/662755266.db2.gz RMYNJIMWGJBWJH-QRQLOZEOSA-N 1 0 397.357 2.963 20 0 GFADRO O=S(=O)(NCC[NH2+][C@@H]1CCOC2(CCCC2)C1)c1ccc(F)cc1Cl ZINC000872070664 662755270 /nfs/dbraw/zinc/75/52/70/662755270.db2.gz WCSXUJPEGFNWML-CQSZACIVSA-N 1 0 390.908 2.839 20 0 GFADRO CC(C)[C@H]([NH3+])c1noc(-c2cnn(C(C)C)c2I)n1 ZINC000872171301 662757409 /nfs/dbraw/zinc/75/74/09/662757409.db2.gz PNZXRQPRIORRGF-VIFPVBQESA-N 1 0 375.214 2.774 20 0 GFADRO CC(C)(O)C[C@H](O)C[NH2+]C1CCN(Cc2cccc(Br)c2)CC1 ZINC000872210068 662757990 /nfs/dbraw/zinc/75/79/90/662757990.db2.gz ICTHFYVMEKKNSY-KRWDZBQOSA-N 1 0 385.346 2.525 20 0 GFADRO O[C@@H](C[NH2+]C[C@@H]1CC2(CO1)CCOCC2)COc1cc(Cl)ccc1Cl ZINC000872229890 662758422 /nfs/dbraw/zinc/75/84/22/662758422.db2.gz CDWIHYJYQXMRMP-GJZGRUSLSA-N 1 0 390.307 2.908 20 0 GFADRO O[C@H](C[NH2+]CCn1ccc(C(F)(F)F)n1)c1ccccc1Br ZINC000872249076 662759212 /nfs/dbraw/zinc/75/92/12/662759212.db2.gz ZUVMDEKTVFHNIP-GFCCVEGCSA-N 1 0 378.192 2.988 20 0 GFADRO CSC1(CNS(=O)(=O)c2ccc(F)c(C(F)F)c2)CC[NH+](C)CC1 ZINC000872489713 662772328 /nfs/dbraw/zinc/77/23/28/662772328.db2.gz XWYAGGZIELDCCL-UHFFFAOYSA-N 1 0 382.473 2.869 20 0 GFADRO O=c1c(Br)nn(C[N@@H+]2CC[C@H]3CSC[C@@H]3C2)c2ccccc12 ZINC000872720964 662786596 /nfs/dbraw/zinc/78/65/96/662786596.db2.gz FHEAFSDPJGALDB-RYUDHWBXSA-N 1 0 380.311 2.801 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)C[C@H]1C(F)(F)F ZINC000873103838 662799835 /nfs/dbraw/zinc/79/98/35/662799835.db2.gz HUQHYDZEDRXRKV-RDDDGLTNSA-N 1 0 384.185 2.528 20 0 GFADRO CN(Cc1cc2c(s1)CC[NH2+]C2)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000873209921 662803901 /nfs/dbraw/zinc/80/39/01/662803901.db2.gz WBCYJBUXMSQVLK-MRXNPFEDSA-N 1 0 394.338 2.815 20 0 GFADRO [NH3+]C[C@@H]1CN(Cc2cn(-c3ccc(F)c(Cl)c3)nn2)C[C@H]1C(F)(F)F ZINC000873228927 662804233 /nfs/dbraw/zinc/80/42/33/662804233.db2.gz WNEQDJSUTSPOMJ-BXKDBHETSA-N 1 0 377.773 2.629 20 0 GFADRO [NH3+]C[C@H]1CN(Cc2nc3ccccn3c2Br)C[C@H]1C(F)(F)F ZINC000873228539 662804309 /nfs/dbraw/zinc/80/43/09/662804309.db2.gz SYDYANYTHACCFJ-VHSXEESVSA-N 1 0 377.208 2.666 20 0 GFADRO COC(=O)c1cc(Cl)cc(NC(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)c1 ZINC000873307456 662805064 /nfs/dbraw/zinc/80/50/64/662805064.db2.gz ADMYTRMGNNSPDR-SKDRFNHKSA-N 1 0 379.766 2.728 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)Nc2nc(CC(F)(F)F)cs2)C[C@H]1C(F)(F)F ZINC000873329157 662805664 /nfs/dbraw/zinc/80/56/64/662805664.db2.gz UCRFDPRYLLSEHZ-HTRCEHHLSA-N 1 0 376.326 2.849 20 0 GFADRO CC[NH+]1CCC(CNC(=O)C(=O)Nc2cc(Cl)cc(Cl)c2F)CC1 ZINC000873721133 662812625 /nfs/dbraw/zinc/81/26/25/662812625.db2.gz GYPCYSFXHFHBED-UHFFFAOYSA-N 1 0 376.259 2.919 20 0 GFADRO C[NH+]1CCC(C)(CNC(=O)C(=O)Nc2cc(Cl)cc(Cl)c2F)CC1 ZINC000873796950 662814526 /nfs/dbraw/zinc/81/45/26/662814526.db2.gz YWADLEPECMESQV-UHFFFAOYSA-N 1 0 376.259 2.919 20 0 GFADRO O=C([O-])C[NH+]1CCC([NH2+]Cc2ccnc3c(Br)cccc23)CC1 ZINC000874047640 662821370 /nfs/dbraw/zinc/82/13/70/662821370.db2.gz WHOFDBCJMQYHEJ-UHFFFAOYSA-N 1 0 378.270 2.636 20 0 GFADRO CC[NH+](CC)Cc1cccc(NC(=O)C(=O)NCc2ncc(Cl)s2)c1 ZINC000874310262 662828466 /nfs/dbraw/zinc/82/84/66/662828466.db2.gz CSZQRDASPFIDQA-UHFFFAOYSA-N 1 0 380.901 2.893 20 0 GFADRO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)/C=C\c1ccc(I)o1 ZINC000874821308 662837292 /nfs/dbraw/zinc/83/72/92/662837292.db2.gz OAGRGEKVVZQJOJ-WFMXKNRHSA-N 1 0 386.233 2.593 20 0 GFADRO C[N@@H+]1CCC[C@H]2[C@H]1CCN2C(=O)c1ccc(F)c(I)c1 ZINC000874838073 662837963 /nfs/dbraw/zinc/83/79/63/662837963.db2.gz MUAXEPLQOZSSHX-KGLIPLIRSA-N 1 0 388.224 2.739 20 0 GFADRO C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2C ZINC000874844377 662838310 /nfs/dbraw/zinc/83/83/10/662838310.db2.gz SXFGKAIOEBRHHW-GLQYFDAESA-N 1 0 384.307 2.807 20 0 GFADRO C[NH+](C)C1(C)CCC(NC(=O)C(=O)NCc2ccc(Cl)cc2Cl)CC1 ZINC000874980961 662840202 /nfs/dbraw/zinc/84/02/02/662840202.db2.gz SDBPRQDSTSGNAD-UHFFFAOYSA-N 1 0 386.323 2.989 20 0 GFADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)Oc2ccc(Br)cc2)cn1 ZINC000874982571 662840337 /nfs/dbraw/zinc/84/03/37/662840337.db2.gz BWGZRRFFHXUPKD-HOTGVXAUSA-N 1 0 378.270 2.824 20 0 GFADRO C[NH+](C)CCOc1cc(C(=O)OCc2ncc(C(F)(F)F)s2)ccn1 ZINC000875634994 662849354 /nfs/dbraw/zinc/84/93/54/662849354.db2.gz DEKKQXZTDYSQNO-UHFFFAOYSA-N 1 0 375.372 2.854 20 0 GFADRO CCOC(=O)Cc1csc(N(CC[NH+](C)C)C(=O)c2ccc(Cl)o2)n1 ZINC000876316765 662859646 /nfs/dbraw/zinc/85/96/46/662859646.db2.gz JLZIQUBWPVJTSA-UHFFFAOYSA-N 1 0 385.873 2.704 20 0 GFADRO Cc1cnn([C@H]2CCC[NH2+]C2)c1C(=O)NCc1cccc(Br)c1 ZINC000876575680 662863042 /nfs/dbraw/zinc/86/30/42/662863042.db2.gz OYNYOZJZBTXHRL-HNNXBMFYSA-N 1 0 377.286 2.809 20 0 GFADRO Cc1cnn([C@H]2CCC[NH2+]C2)c1C(=O)NCc1ccccc1Br ZINC000876578660 662863086 /nfs/dbraw/zinc/86/30/86/662863086.db2.gz WRQCUSROOIRZHQ-AWEZNQCLSA-N 1 0 377.286 2.809 20 0 GFADRO O=C(Nc1ccnn1Cc1cccc(Br)c1)[C@@H](F)[C@H]1CC[NH2+]C1 ZINC000876603624 662863295 /nfs/dbraw/zinc/86/32/95/662863295.db2.gz YNFQZOBFECTRBG-WFASDCNBSA-N 1 0 381.249 2.580 20 0 GFADRO Cn1nccc1[C@H]1CCC[N@H+](Cc2cnn3cc(Br)cnc23)C1 ZINC000876626615 662863627 /nfs/dbraw/zinc/86/36/27/662863627.db2.gz DFBLDFJAFDJHNS-LBPRGKRZSA-N 1 0 375.274 2.605 20 0 GFADRO Brc1cnc2c(C[NH+]3CCC(OC[C@H]4CCCO4)CC3)cnn2c1 ZINC000876649944 662864288 /nfs/dbraw/zinc/86/42/88/662864288.db2.gz JZOIABODDSBEJI-MRXNPFEDSA-N 1 0 395.301 2.652 20 0 GFADRO C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)[C@H](F)[C@@H]2CC[NH2+]C2)CC1 ZINC000876772355 662866197 /nfs/dbraw/zinc/86/61/97/662866197.db2.gz BEPNBDDIAZRLHW-FRFSOERESA-N 1 0 398.320 2.602 20 0 GFADRO CC(C)n1ncc(C(=O)Nc2cnc3c(c2)C[C@H]([NH3+])CC3)c1Br ZINC000876794378 662866511 /nfs/dbraw/zinc/86/65/11/662866511.db2.gz UVBXIXCLLUQLIM-LLVKDONJSA-N 1 0 378.274 2.690 20 0 GFADRO O=C(/C=C\[C@H]1CCC[NH2+]C1)NCc1noc(-c2cccc(Br)c2)n1 ZINC000876910877 662867995 /nfs/dbraw/zinc/86/79/95/662867995.db2.gz OTMGILRZZMYAMK-ZHRWSRJISA-N 1 0 391.269 2.671 20 0 GFADRO CC(C)n1ncc(C(=O)N2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)c1Br ZINC000876950503 662868608 /nfs/dbraw/zinc/86/86/08/662868608.db2.gz OTTCYMGTZHBEPZ-NWANDNLSSA-N 1 0 399.333 2.728 20 0 GFADRO CCn1ncc(C(=O)Nc2ccc([C@H]3C[NH2+]CCO3)cc2)c1Br ZINC000876969557 662868891 /nfs/dbraw/zinc/86/88/91/662868891.db2.gz SYJKJLFLJLEAJU-CQSZACIVSA-N 1 0 379.258 2.579 20 0 GFADRO [NH3+][C@H](C(=O)NC[C@@H]1Cc2ccccc2CO1)c1cccc(Br)c1 ZINC000876992210 662869338 /nfs/dbraw/zinc/86/93/38/662869338.db2.gz NPNLIQLBNPVHMG-IRXDYDNUSA-N 1 0 375.266 2.707 20 0 GFADRO CCN(CC)S(=O)(=O)c1ccc(CC[NH2+]Cc2ccc(Cl)nn2)s1 ZINC000877012516 662869577 /nfs/dbraw/zinc/86/95/77/662869577.db2.gz VVWFHIIQFAQDOE-UHFFFAOYSA-N 1 0 388.946 2.554 20 0 GFADRO Cc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)NCCOCCC[NH3+] ZINC000877050993 662870215 /nfs/dbraw/zinc/87/02/15/662870215.db2.gz QJGOZKFRHVJSDD-UHFFFAOYSA-N 1 0 385.295 2.642 20 0 GFADRO C[C@@H]1C[C@H](c2ccc(Br)cc2)CN1C(=O)c1c(C[NH3+])cnn1C ZINC000877067314 662870618 /nfs/dbraw/zinc/87/06/18/662870618.db2.gz GVGYWHCLSGISRS-YPMHNXCESA-N 1 0 377.286 2.660 20 0 GFADRO CCOP(=O)(CCC[NH2+]Cc1ccc2c(c1)CCS2(=O)=O)OCC ZINC000877093471 662870989 /nfs/dbraw/zinc/87/09/89/662870989.db2.gz BGRMXBPWWBDKHL-UHFFFAOYSA-N 1 0 375.427 2.762 20 0 GFADRO C[C@H]([NH3+])CN(C)C(=O)c1nn(-c2cccc(Br)c2)c2c1CCC2 ZINC000877101921 662871105 /nfs/dbraw/zinc/87/11/05/662871105.db2.gz UUTQZLUTFUDXFB-NSHDSACASA-N 1 0 377.286 2.543 20 0 GFADRO CC[C@@](C)(COc1ncccc1Cl)[NH2+]Cc1cccc(S(N)(=O)=O)c1 ZINC000877114087 662871232 /nfs/dbraw/zinc/87/12/32/662871232.db2.gz UYQYJUCWEYAHLX-KRWDZBQOSA-N 1 0 383.901 2.720 20 0 GFADRO O=S1(=O)CC[C@@]2(C1)C[C@@H]([NH2+]Cc1cc3nc(Cl)ccc3s1)CCO2 ZINC000877139235 662871520 /nfs/dbraw/zinc/87/15/20/662871520.db2.gz IXIWYBOKTUFIPN-ZBEGNZNMSA-N 1 0 386.926 2.776 20 0 GFADRO O[C@]1(c2ccc(F)cc2)CC[N@H+](Cc2cnn3cc(Br)cnc23)C1 ZINC000877140069 662871711 /nfs/dbraw/zinc/87/17/11/662871711.db2.gz LSYOLTFGMINIEN-QGZVFWFLSA-N 1 0 391.244 2.724 20 0 GFADRO COc1cc(Br)ccc1NC(=O)c1nnn(C2CC[NH2+]CC2)c1C ZINC000877204993 662872271 /nfs/dbraw/zinc/87/22/71/662872271.db2.gz VANXASTYKFOATO-UHFFFAOYSA-N 1 0 394.273 2.534 20 0 GFADRO O=C(c1cnn(-c2ccccc2)c1Br)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000877275524 662872899 /nfs/dbraw/zinc/87/28/99/662872899.db2.gz UHGCTYJGBXUNEB-GJZGRUSLSA-N 1 0 375.270 2.601 20 0 GFADRO O=C(c1cnn(-c2ccc(Br)cc2)c1)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000877282573 662873167 /nfs/dbraw/zinc/87/31/67/662873167.db2.gz RNSFIXMZADHYID-HZPDHXFCSA-N 1 0 375.270 2.601 20 0 GFADRO Cc1nc(C(=O)N2CCC[C@H]3[NH2+]CC[C@@H]32)nn1-c1c(Cl)cccc1Cl ZINC000877283308 662873172 /nfs/dbraw/zinc/87/31/72/662873172.db2.gz VPYCFOXDLJJWTA-KGLIPLIRSA-N 1 0 380.279 2.849 20 0 GFADRO O=C(N1CCC(Oc2ccc(Cl)cn2)CC1)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000877295301 662873289 /nfs/dbraw/zinc/87/32/89/662873289.db2.gz RCTNNRGYVKFFFB-HNNXBMFYSA-N 1 0 377.794 2.647 20 0 GFADRO O=C(NC[C@H]1CC2(CO1)CC[NH2+]CC2)C1(c2ccc(Br)cc2)CC1 ZINC000877336147 662873853 /nfs/dbraw/zinc/87/38/53/662873853.db2.gz KOJPWYAHMQVEFW-MRXNPFEDSA-N 1 0 393.325 2.756 20 0 GFADRO C[C@H](C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2)c1ccc(Br)s1 ZINC000877332689 662873861 /nfs/dbraw/zinc/87/38/61/662873861.db2.gz GFIOTLRTSKEEIB-NWDGAFQWSA-N 1 0 387.343 2.889 20 0 GFADRO O=C(NC[C@H]1CC2(CO1)CC[NH2+]CC2)c1cccnc1SC(F)(F)F ZINC000877334181 662873864 /nfs/dbraw/zinc/87/38/64/662873864.db2.gz LBDXNKJKAIHZPE-LLVKDONJSA-N 1 0 375.416 2.582 20 0 GFADRO CC(C)n1ncc(C(=O)NC[C@@H]2Cc3ccccc3C[NH2+]2)c1Br ZINC000877338395 662873974 /nfs/dbraw/zinc/87/39/74/662873974.db2.gz FQOOQRZCIGYCKJ-AWEZNQCLSA-N 1 0 377.286 2.671 20 0 GFADRO C[C@H](Oc1ccccc1Br)C(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000877367251 662874849 /nfs/dbraw/zinc/87/48/49/662874849.db2.gz ZYWDHZPFQMCZKV-DCAQKATOSA-N 1 0 395.219 2.812 20 0 GFADRO O=C([C@@H]1C[NH2+]C[C@H]1c1ccc(Cl)cc1)N1CCO[C@@H](C(F)(F)F)CC1 ZINC000877381786 662875159 /nfs/dbraw/zinc/87/51/59/662875159.db2.gz KNLNHBUHPZNHFA-RRFJBIMHSA-N 1 0 376.806 2.823 20 0 GFADRO O=C(N[C@]12CCC[C@@H]1[NH2+]CC2)c1cnn(-c2ccc(Br)cc2)c1 ZINC000877395658 662875486 /nfs/dbraw/zinc/87/54/86/662875486.db2.gz LSBGUMQMDJEVEK-RDJZCZTQSA-N 1 0 375.270 2.649 20 0 GFADRO CN(C)c1noc(CN[C@@H]2CCN(C)[C@H](c3ccc(Br)cc3)C2)n1 ZINC000877411378 662875616 /nfs/dbraw/zinc/87/56/16/662875616.db2.gz NGFDBIAYMXSYFP-CABCVRRESA-N 1 0 394.317 2.823 20 0 GFADRO CS(=O)(=O)c1ccc(C(=O)N2CCC[C@H](C[C@H]([NH3+])C3CCCC3)C2)s1 ZINC000877443231 662876060 /nfs/dbraw/zinc/87/60/60/662876060.db2.gz CBUUBIYLFFSWEP-HIFRSBDPSA-N 1 0 384.567 2.911 20 0 GFADRO CN1CC[C@H]([NH2+]CC(=O)NCC(F)F)C[C@@H]1c1ccc(Br)cc1 ZINC000877494842 662877148 /nfs/dbraw/zinc/87/71/48/662877148.db2.gz OMLXOLFBZDZBJH-UONOGXRCSA-N 1 0 390.272 2.555 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+][C@@H](c2cccs2)C2(CO)CCC2)c(F)c1 ZINC000877577082 662879242 /nfs/dbraw/zinc/87/92/42/662879242.db2.gz TUGKUAFQOSNLSP-INIZCTEOSA-N 1 0 384.498 2.528 20 0 GFADRO CCCC[N@H+](Cc1cccc(S(N)(=O)=O)c1)[C@H]1CCc2ncsc2C1 ZINC000877608840 662879841 /nfs/dbraw/zinc/87/98/41/662879841.db2.gz ZUPKRKWJBKKZEO-HNNXBMFYSA-N 1 0 379.551 2.950 20 0 GFADRO COC(=O)CCn1nc(C)c(CNCc2ncc(Br)s2)c1C ZINC000877767093 662883152 /nfs/dbraw/zinc/88/31/52/662883152.db2.gz VRSJTOANHREMFK-UHFFFAOYSA-N 1 0 387.303 2.572 20 0 GFADRO Cc1ccccc1C[NH+]1CCN(C[C@@H](O)c2cc(Br)no2)CC1 ZINC000877895909 662885468 /nfs/dbraw/zinc/88/54/68/662885468.db2.gz YYZWNVNRHZFWEU-OAHLLOKOSA-N 1 0 380.286 2.597 20 0 GFADRO CC(C)(C)SCCC[NH+]1CCN(Cc2cc(=O)n3ccsc3n2)CC1 ZINC000877945723 662886626 /nfs/dbraw/zinc/88/66/26/662886626.db2.gz HXQULZRCOUURAT-UHFFFAOYSA-N 1 0 380.583 2.795 20 0 GFADRO C[C@H](c1ccc(-n2cncn2)cc1)[N@H+](C)C[C@H](O)c1cc(Br)no1 ZINC000877944190 662886648 /nfs/dbraw/zinc/88/66/48/662886648.db2.gz VMAYMJQTPIHLFY-RISCZKNCSA-N 1 0 392.257 2.744 20 0 GFADRO CO[C@H]1C[C@@H](C[N@@H+]2CCCN(S(=O)(=O)c3ccc(Cl)s3)CC2)C1 ZINC000878022855 662888391 /nfs/dbraw/zinc/88/83/91/662888391.db2.gz OLNGCUHHBPEQNM-BETUJISGSA-N 1 0 378.947 2.523 20 0 GFADRO O[C@H](C[NH2+][C@H](Cn1cccn1)c1ccccc1)c1cc(Br)no1 ZINC000878256320 662892626 /nfs/dbraw/zinc/89/26/26/662892626.db2.gz BKKFCCQUHZVWMO-ZIAGYGMSSA-N 1 0 377.242 2.698 20 0 GFADRO Cc1nc(CN(C)[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)sc1Br ZINC000878314747 662893679 /nfs/dbraw/zinc/89/36/79/662893679.db2.gz UBNABEWKWLGKBB-AWEZNQCLSA-N 1 0 387.391 2.814 20 0 GFADRO O[C@@H](C[NH2+][C@H](c1ccc2c(c1)OCCO2)C1CC1)c1cc(Br)no1 ZINC000878373749 662894723 /nfs/dbraw/zinc/89/47/23/662894723.db2.gz BRPMCIGPJHABMP-SJCJKPOMSA-N 1 0 395.253 2.983 20 0 GFADRO CC(C)[C@H]([NH2+]C[C@H](O)c1cc(Br)no1)c1nnc2ccccn21 ZINC000878376129 662894785 /nfs/dbraw/zinc/89/47/85/662894785.db2.gz WDZVPNLFCJVXMX-HZMBPMFUSA-N 1 0 380.246 2.500 20 0 GFADRO C[N@@H+]1CCC[C@H](NC(=O)c2cc(Br)nn2-c2ncccc2Cl)C1 ZINC000878373670 662894790 /nfs/dbraw/zinc/89/47/90/662894790.db2.gz NELMCXNDQYTFSE-JTQLQIEISA-N 1 0 398.692 2.507 20 0 GFADRO COC(=O)C[C@@](C)([NH2+]C[C@@H](O)c1ccc(Br)cc1)c1ccncc1 ZINC000878610505 662900195 /nfs/dbraw/zinc/90/01/95/662900195.db2.gz XUHKYDQTIPVKDU-SJLPKXTDSA-N 1 0 393.281 2.946 20 0 GFADRO C[N@H+](C[C@@H](O)CC1(CO)CCCC1)C[C@@H](O)c1cccc(Br)c1 ZINC000878709724 662903375 /nfs/dbraw/zinc/90/33/75/662903375.db2.gz SIKOIFSPGJOTBD-DLBZAZTESA-N 1 0 386.330 2.718 20 0 GFADRO Cc1ccc(NC(=O)N2CCC[C@@H]([NH2+]C3CCOCC3)C2)c(Br)n1 ZINC000878979171 662912157 /nfs/dbraw/zinc/91/21/57/662912157.db2.gz OSUCPGPJQQOQCB-CQSZACIVSA-N 1 0 397.317 2.917 20 0 GFADRO COC(=O)c1cc(Br)ccc1NC(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879010407 662913014 /nfs/dbraw/zinc/91/30/14/662913014.db2.gz BPKNUSGSUPAVTI-XHDPSFHLSA-N 1 0 396.285 2.794 20 0 GFADRO CC[N@H+](CCNC(=O)Nc1cc(Br)nn1C)CCC(F)(F)F ZINC000879641436 662932124 /nfs/dbraw/zinc/93/21/24/662932124.db2.gz XKEKBXRSAHKHAX-UHFFFAOYSA-N 1 0 386.216 2.578 20 0 GFADRO Cn1nc(Br)cc1NC(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000879642182 662932318 /nfs/dbraw/zinc/93/23/18/662932318.db2.gz GKGWKRFJHPITNL-UHFFFAOYSA-N 1 0 384.253 2.705 20 0 GFADRO COC[C@@H]([NH2+]CC1(CS(C)(=O)=O)CC1)c1cccc(Br)c1 ZINC000879662679 662934900 /nfs/dbraw/zinc/93/49/00/662934900.db2.gz IAOVYJDJEGQLOL-CQSZACIVSA-N 1 0 376.316 2.551 20 0 GFADRO CN=[S@@](C)(=O)c1cccc(NC(=O)NCC2(SC)CC[NH+](C)CC2)c1 ZINC000879835518 662940429 /nfs/dbraw/zinc/94/04/29/662940429.db2.gz TYKULEKHWOPCDF-VWLOTQADSA-N 1 0 384.571 2.722 20 0 GFADRO Cn1nc2c(c1C(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)cc1)CSCC2 ZINC000879898594 662941788 /nfs/dbraw/zinc/94/17/88/662941788.db2.gz GYSFAMSGUGEFGF-INIZCTEOSA-N 1 0 378.929 2.896 20 0 GFADRO Cc1ccccc1[C@H]([C@@H](C)NC(=O)Cc1c(Br)cnn1C)[NH+](C)C ZINC000879901384 662941850 /nfs/dbraw/zinc/94/18/50/662941850.db2.gz OMJUHOUIGQNOOY-ACJLOTCBSA-N 1 0 393.329 2.841 20 0 GFADRO Cn1cc(NC(=O)NCc2ccc(CC[NH+](C)C)cc2)c(Br)n1 ZINC000880061319 662949286 /nfs/dbraw/zinc/94/92/86/662949286.db2.gz SPHKCBNMMOWPSK-UHFFFAOYSA-N 1 0 380.290 2.608 20 0 GFADRO C[C@H]1[C@@H](NC(=O)Nc2cn(C)nc2Br)CC[N@@H+]1Cc1ccccc1 ZINC000880061290 662949353 /nfs/dbraw/zinc/94/93/53/662949353.db2.gz ZMXPPVBKNHNQLF-JSGCOSHPSA-N 1 0 392.301 2.967 20 0 GFADRO CCOC(=O)c1csc(CC2CC[NH+](C[C@](C)(O)C(F)(F)F)CC2)n1 ZINC000880263601 662956718 /nfs/dbraw/zinc/95/67/18/662956718.db2.gz PNBPUBSHOVWVAY-HNNXBMFYSA-N 1 0 380.432 2.888 20 0 GFADRO O=C(CC[N@@H+]1CCC[C@@H]2CCNC(=O)[C@H]21)Nc1ccc(Br)cc1F ZINC000880532118 662961737 /nfs/dbraw/zinc/96/17/37/662961737.db2.gz ZVZBYJDOJUIUCV-BZNIZROVSA-N 1 0 398.276 2.517 20 0 GFADRO C[C@@H](C(=O)Nc1ccc(Br)cc1)[N@@H+]1C[C@H](O)CC2(CCOCC2)C1 ZINC000880584135 662963269 /nfs/dbraw/zinc/96/32/69/662963269.db2.gz NBMYLXRKOMRCNK-XJKSGUPXSA-N 1 0 397.313 2.640 20 0 GFADRO COc1cc(Br)ccc1NC(=O)N1CCOC2(CC[NH+](C)CC2)C1 ZINC000880628207 662964754 /nfs/dbraw/zinc/96/47/54/662964754.db2.gz SIOKOVIKAHKTPE-UHFFFAOYSA-N 1 0 398.301 2.786 20 0 GFADRO O=C(N[C@H](c1cccc(Cl)c1)C(F)F)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000881217840 662985118 /nfs/dbraw/zinc/98/51/18/662985118.db2.gz AJTRFJWNPWCJGK-HUUCEWRRSA-N 1 0 375.847 2.792 20 0 GFADRO O=C(Cc1ccc(F)cc1Br)N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000881477502 662995508 /nfs/dbraw/zinc/99/55/08/662995508.db2.gz XBZIFRNPNLZHKS-MRXNPFEDSA-N 1 0 399.304 2.890 20 0 GFADRO CC[N@@H+]1CC[C@H]1CNC(=O)c1nn(-c2ccc(F)cc2)cc1Br ZINC000882486216 663028793 /nfs/dbraw/zinc/02/87/93/663028793.db2.gz IKZPHTFBBDHSBR-ZDUSSCGKSA-N 1 0 381.249 2.598 20 0 GFADRO C[C@@H]1CN(S(=O)(=O)c2cc(Cl)cnc2Cl)CCN1c1cc[nH+]cc1 ZINC000882619328 663033496 /nfs/dbraw/zinc/03/34/96/663033496.db2.gz GTXVZXPRNQYVAO-LLVKDONJSA-N 1 0 387.292 2.683 20 0 GFADRO C[NH+](C)CCCCC(=O)N[C@H]1CCc2cc(Br)ccc2NC1=O ZINC000882735184 663038913 /nfs/dbraw/zinc/03/89/13/663038913.db2.gz YAUHXKYDYGZAPF-HNNXBMFYSA-N 1 0 382.302 2.551 20 0 GFADRO CC1([NH+]2CCC2)CCN(S(=O)(=O)c2cscc2Br)CC1 ZINC000882767580 663041035 /nfs/dbraw/zinc/04/10/35/663041035.db2.gz SMYXJGALPPSRRX-UHFFFAOYSA-N 1 0 379.345 2.760 20 0 GFADRO COC[C@H]([NH2+]Cc1cn(-c2ccccc2Br)nn1)[C@H]1CCCOC1 ZINC000883202289 663051278 /nfs/dbraw/zinc/05/12/78/663051278.db2.gz XLIPGOVHJMMSHR-BBRMVZONSA-N 1 0 395.301 2.561 20 0 GFADRO C[C@H]([NH2+]CCc1ccns1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000883247719 663051995 /nfs/dbraw/zinc/05/19/95/663051995.db2.gz TXDAOOHNKVHMOS-QMMMGPOBSA-N 1 0 380.322 2.991 20 0 GFADRO O=S1(=O)CCC[C@@H]1CC[NH2+][C@@H](c1nc(Br)cs1)C1CC1 ZINC000883309548 663053370 /nfs/dbraw/zinc/05/33/70/663053370.db2.gz OTFQCEQKVIDDNB-ZYHUDNBSSA-N 1 0 379.345 2.914 20 0 GFADRO Cc1nn(-c2cccc(Br)c2)cc1C[NH2+][C@H]1C[C@H](S(C)(=O)=O)C1 ZINC000883380302 663054578 /nfs/dbraw/zinc/05/45/78/663054578.db2.gz HLNKNPLSFYGONW-KOMQPUFPSA-N 1 0 398.326 2.608 20 0 GFADRO [NH3+]Cc1nc2c(s1)CCN(C(=O)Nc1nnc(-c3ccsc3)s1)C2 ZINC000883533332 663056753 /nfs/dbraw/zinc/05/67/53/663056753.db2.gz MKXBYKUTSACDQI-UHFFFAOYSA-N 1 0 378.508 2.772 20 0 GFADRO Cc1cnc(Br)c(NC(=O)N2CCc3sc(C[NH3+])nc3C2)c1 ZINC000883566415 663057128 /nfs/dbraw/zinc/05/71/28/663057128.db2.gz VMGKGOFQKFHKGH-UHFFFAOYSA-N 1 0 382.287 2.658 20 0 GFADRO [NH3+][C@@H](CC1CC1)C(=O)Nc1ccc(CCn2cc(Br)cn2)cc1 ZINC000884151945 663066085 /nfs/dbraw/zinc/06/60/85/663066085.db2.gz YLQVUJKVEOCYQY-INIZCTEOSA-N 1 0 377.286 2.954 20 0 GFADRO Cc1csc(N2CCN(C(=O)[C@H]([NH3+])c3ccc(Br)cc3)CC2)n1 ZINC000884189942 663066891 /nfs/dbraw/zinc/06/68/91/663066891.db2.gz QDIQDBVFKWDZBA-CQSZACIVSA-N 1 0 395.326 2.563 20 0 GFADRO C[C@@H]1CN(C(=O)c2cc(Br)nn2-c2ncccc2Cl)[C@H](C)C[NH2+]1 ZINC000884245514 663067544 /nfs/dbraw/zinc/06/75/44/663067544.db2.gz XHCZUDIAUDXLRR-NXEZZACHSA-N 1 0 398.692 2.506 20 0 GFADRO O=C(COCCc1ccc(Br)cc1)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000884239282 663067575 /nfs/dbraw/zinc/06/75/75/663067575.db2.gz QXMKVYMAGSDYDN-FUHWJXTLSA-N 1 0 395.341 2.999 20 0 GFADRO CN(C(=O)COCCc1ccc(Br)cc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000884240685 663067579 /nfs/dbraw/zinc/06/75/79/663067579.db2.gz ZRYRQJOUFCPBEM-SJPCQFCGSA-N 1 0 381.314 2.750 20 0 GFADRO C[C@H]1CC2(CN1C(=O)COCCc1ccc(Br)cc1)CC[NH2+]CC2 ZINC000884370407 663069722 /nfs/dbraw/zinc/06/97/22/663069722.db2.gz IVNDIEQGUVTUIQ-HNNXBMFYSA-N 1 0 395.341 2.999 20 0 GFADRO C[C@@H]1C[C@H]([NH3+])CCN1C(=O)c1cc(Br)nn1-c1ncccc1Cl ZINC000884390507 663069971 /nfs/dbraw/zinc/06/99/71/663069971.db2.gz XVICNLLAVAMGEY-NXEZZACHSA-N 1 0 398.692 2.635 20 0 GFADRO C[C@H](NC(=O)C(=O)NC[C@@H]1C[NH2+]CCC1(F)F)c1cccc(Cl)c1Cl ZINC000884532020 663072157 /nfs/dbraw/zinc/07/21/57/663072157.db2.gz AGSFTIJVSDQKSB-UWVGGRQHSA-N 1 0 394.249 2.532 20 0 GFADRO C[NH+](C)CCn1cc(C(=O)N2CCc3cc(Br)c(F)cc3C2)cn1 ZINC000884928874 663079030 /nfs/dbraw/zinc/07/90/30/663079030.db2.gz JQXFKNFDNKSGFA-UHFFFAOYSA-N 1 0 395.276 2.545 20 0 GFADRO Cc1cc(Cl)cc(C)c1S(=O)(=O)N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000885240641 663086914 /nfs/dbraw/zinc/08/69/14/663086914.db2.gz OGVBMMBYJHBJCR-UHFFFAOYSA-N 1 0 386.945 2.832 20 0 GFADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1ccc(NC(C)=O)c(Cl)c1 ZINC000885456549 663091039 /nfs/dbraw/zinc/09/10/39/663091039.db2.gz ASIYHDQDMXGORU-KGLIPLIRSA-N 1 0 385.917 2.546 20 0 GFADRO O=C(CCc1ccc(Br)cc1)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000885873569 663099685 /nfs/dbraw/zinc/09/96/85/663099685.db2.gz UVTDKGFOKLNOEL-QGZVFWFLSA-N 1 0 381.314 2.751 20 0 GFADRO COc1cc(C)c(Br)cc1C(=O)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000885886329 663100488 /nfs/dbraw/zinc/10/04/88/663100488.db2.gz VRXKCGQIZUTYMG-AWEZNQCLSA-N 1 0 397.313 2.749 20 0 GFADRO Cc1c(F)c(Br)ccc1C(=O)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000885892008 663100768 /nfs/dbraw/zinc/10/07/68/663100768.db2.gz ZFYFCNOUYUOYOA-ZDUSSCGKSA-N 1 0 385.277 2.880 20 0 GFADRO OC[C@@H](C[NH2+][C@H]1CCOC2(CCOCC2)C1)Cc1cccc(Br)c1 ZINC000886091445 663103083 /nfs/dbraw/zinc/10/30/83/663103083.db2.gz ADAJLXJQTYMMNJ-AEFFLSMTSA-N 1 0 398.341 2.918 20 0 GFADRO CC(=O)NCC[N@@H+](Cc1ccc(Br)s1)C[C@H]1C[C@@]12CCOC2 ZINC000886190434 663104369 /nfs/dbraw/zinc/10/43/69/663104369.db2.gz QEDHZSMJMJFQLQ-CZUORRHYSA-N 1 0 387.343 2.875 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+][C@H](CO)C[C@@H]1CCCO1 ZINC000886225759 663105349 /nfs/dbraw/zinc/10/53/49/663105349.db2.gz BKJXBIYEFQICFH-WMZOPIPTSA-N 1 0 394.313 2.963 20 0 GFADRO CCOc1c(Br)cc(C[NH2+][C@@H]2CC[C@@H](O)[C@@H](O)CC2)cc1OC ZINC000886257546 663106325 /nfs/dbraw/zinc/10/63/25/663106325.db2.gz DFNQHXGTTAEPCI-XMQYKBBCSA-N 1 0 388.302 2.610 20 0 GFADRO COC(=O)c1cc2n(n1)CCC[C@@H]2[NH2+]C[C@H](O)c1ccccc1Br ZINC000886623635 663114964 /nfs/dbraw/zinc/11/49/64/663114964.db2.gz JQPHZVCGBOOKFF-BBRMVZONSA-N 1 0 394.269 2.590 20 0 GFADRO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@@H](CO)C[C@@H]1CCCO1 ZINC000886666423 663115299 /nfs/dbraw/zinc/11/52/99/663115299.db2.gz SLKXPIAIFLKMKU-WQVCFCJDSA-N 1 0 385.302 2.686 20 0 GFADRO Clc1ccc(CC[NH2+]C2CCN(CCN3CCOCC3)CC2)cc1Cl ZINC000886707990 663116099 /nfs/dbraw/zinc/11/60/99/663116099.db2.gz ZJAQXOITGHWXDR-UHFFFAOYSA-N 1 0 386.367 2.922 20 0 GFADRO COc1ccc([C@@H](C)[NH2+]CC2(S(=O)(=O)N(C)C)CC2)c(Br)c1 ZINC000886734675 663116402 /nfs/dbraw/zinc/11/64/02/663116402.db2.gz MTDJFCYKDFSMJZ-LLVKDONJSA-N 1 0 391.331 2.532 20 0 GFADRO C[C@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+]CC1(S(=O)(=O)N(C)C)CC1 ZINC000886738824 663116558 /nfs/dbraw/zinc/11/65/58/663116558.db2.gz GMKGNOYCXBHYEC-SNVBAGLBSA-N 1 0 399.866 2.698 20 0 GFADRO O=S(=O)(/C=C\c1ccccc1Br)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000886896554 663123934 /nfs/dbraw/zinc/12/39/34/663123934.db2.gz NFFVVWYKWUJGPG-JECSTDCCSA-N 1 0 395.269 2.584 20 0 GFADRO O=S(=O)(c1cc(F)ccc1OC(F)F)N1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886900856 663124205 /nfs/dbraw/zinc/12/42/05/663124205.db2.gz JLOCWXABZYLICD-INIZCTEOSA-N 1 0 378.416 2.581 20 0 GFADRO COC[C@@H]([NH2+]CC(=O)Nc1ccc(C)cc1Br)[C@H]1CCCOC1 ZINC000886909939 663124649 /nfs/dbraw/zinc/12/46/49/663124649.db2.gz INRFILILKMDIQP-XJKSGUPXSA-N 1 0 385.302 2.727 20 0 GFADRO C[C@]1(C[NH3+])CCN(C(=O)C(=O)Nc2cc(Br)c3ccccc3c2)C1 ZINC000886984048 663127388 /nfs/dbraw/zinc/12/73/88/663127388.db2.gz PRWBXWWWLDDCLX-GOSISDBHSA-N 1 0 390.281 2.738 20 0 GFADRO O=C(NC[C@@H]1C[NH2+]CCC1(F)F)C(=O)Nc1cccc(C(F)F)c1Cl ZINC000887035075 663129609 /nfs/dbraw/zinc/12/96/09/663129609.db2.gz FZXIOKDAJAHZAP-QMMMGPOBSA-N 1 0 381.757 2.577 20 0 GFADRO COc1cccc([C@@H]2C[NH2+]CCN2C(=O)c2nc(Br)cs2)c1 ZINC000887403616 663144361 /nfs/dbraw/zinc/14/43/61/663144361.db2.gz AZBXXURCQQEKGY-LBPRGKRZSA-N 1 0 382.283 2.701 20 0 GFADRO COCCCc1nc(-c2cn(CCC[NH+]3CCSCC3)nn2)c(C)s1 ZINC000887436359 663146465 /nfs/dbraw/zinc/14/64/65/663146465.db2.gz KOVPRDASSHBHLO-UHFFFAOYSA-N 1 0 381.571 2.728 20 0 GFADRO Cc1cc(Br)cc2c(C(=O)N3CCN(C)CC[N@@H+](C)CC3)coc21 ZINC000888986424 663228676 /nfs/dbraw/zinc/22/86/76/663228676.db2.gz GGHHEFPORCHWCW-UHFFFAOYSA-N 1 0 394.313 2.823 20 0 GFADRO C[NH+]1CCC2(CCN2C(=O)c2cnnn2-c2cccc(Cl)c2Cl)CC1 ZINC000889217545 663237713 /nfs/dbraw/zinc/23/77/13/663237713.db2.gz GASQPFCTLJKKIQ-UHFFFAOYSA-N 1 0 380.279 2.884 20 0 GFADRO COc1cc(/C=C/C(=O)N2CCC23CC[NH+](C)CC3)cc(Br)c1O ZINC000889226212 663237853 /nfs/dbraw/zinc/23/78/53/663237853.db2.gz XRDFGYHYSSSWIB-ONEGZZNKSA-N 1 0 395.297 2.873 20 0 GFADRO Cc1ccc(F)c(Br)c1C(=O)Nc1ccc(=O)n(CC[NH+](C)C)c1 ZINC000889710664 663256860 /nfs/dbraw/zinc/25/68/60/663256860.db2.gz CKUKUOZAGUQABB-UHFFFAOYSA-N 1 0 396.260 2.872 20 0 GFADRO C[C@H](C(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO)c1ccc(Br)cc1 ZINC000889760008 663264216 /nfs/dbraw/zinc/26/42/16/663264216.db2.gz AGCXSQZANABUOV-JQFCIGGWSA-N 1 0 381.314 2.610 20 0 GFADRO Cc1cc(C(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)c(C)cc1Br ZINC000889760347 663264300 /nfs/dbraw/zinc/26/43/00/663264300.db2.gz FDRHBDOJSIPOJA-DLBZAZTESA-N 1 0 381.314 2.737 20 0 GFADRO O=C(CCc1cc(F)ccc1Br)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000889762818 663264512 /nfs/dbraw/zinc/26/45/12/663264512.db2.gz QMSBINPSBIQYMG-IAGOWNOFSA-N 1 0 399.304 2.578 20 0 GFADRO O=C(CCc1cc(F)ccc1Br)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000889762821 663264981 /nfs/dbraw/zinc/26/49/81/663264981.db2.gz QMSBINPSBIQYMG-SJORKVTESA-N 1 0 399.304 2.578 20 0 GFADRO COC(=O)c1cc(Br)cc(C(=O)N2CCC([NH2+]C3CCC3)CC2)c1 ZINC000889824893 663270567 /nfs/dbraw/zinc/27/05/67/663270567.db2.gz VFUUIUFTXBFKOC-UHFFFAOYSA-N 1 0 395.297 2.982 20 0 GFADRO O=C(Cc1cccc(I)c1)N1CCC([NH2+]C2CCC2)CC1 ZINC000889830499 663270839 /nfs/dbraw/zinc/27/08/39/663270839.db2.gz HZHHEXWMQPOUDN-UHFFFAOYSA-N 1 0 398.288 2.967 20 0 GFADRO Cn1cc(C(=O)NC[C@H](C2CC2)[N@H+](C)Cc2ccccc2)c(Br)n1 ZINC000890040110 663282066 /nfs/dbraw/zinc/28/20/66/663282066.db2.gz VLDUVXKMQVAXMG-MRXNPFEDSA-N 1 0 391.313 2.823 20 0 GFADRO Cc1ccccc1[C@H]([C@@H](C)NC(=O)c1cn(C)nc1Br)[NH+](C)C ZINC000890125984 663284925 /nfs/dbraw/zinc/28/49/25/663284925.db2.gz NPIOWCPTOGFRFW-DOMZBBRYSA-N 1 0 379.302 2.912 20 0 GFADRO C[NH+](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cnc(Cl)cc1Cl ZINC000890996411 663320920 /nfs/dbraw/zinc/32/09/20/663320920.db2.gz BLGNUQRJKJPLFM-NSHDSACASA-N 1 0 377.272 2.782 20 0 GFADRO CC(C)([NH3+])CCNC(=O)NC[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000891425196 663339436 /nfs/dbraw/zinc/33/94/36/663339436.db2.gz HNOWVINFSXGHFY-ZDUSSCGKSA-N 1 0 383.334 2.702 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)NCCc2ccccc2Br)C[C@@H]1C(F)(F)F ZINC000891461365 663340217 /nfs/dbraw/zinc/34/02/17/663340217.db2.gz VTFHKIRGWNDECU-RYUDHWBXSA-N 1 0 394.235 2.770 20 0 GFADRO COc1ccc(CNC(=O)NC[C@@H]2C[NH2+]CCC2(F)F)cc1Br ZINC000891484319 663340886 /nfs/dbraw/zinc/34/08/86/663340886.db2.gz ULBRPPXFAMWPPF-NSHDSACASA-N 1 0 392.244 2.502 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)NCc2ccc(Br)cc2)C[C@@H]1C(F)(F)F ZINC000891527808 663342226 /nfs/dbraw/zinc/34/22/26/663342226.db2.gz LQKOQHZRRUXDHP-JQWIXIFHSA-N 1 0 380.208 2.728 20 0 GFADRO COCCC1(NC(=O)NCCCc2cccc(Br)c2)CC[NH2+]CC1 ZINC000891535047 663342818 /nfs/dbraw/zinc/34/28/18/663342818.db2.gz SAGZROOJZZCDAH-UHFFFAOYSA-N 1 0 398.345 2.840 20 0 GFADRO COCCC1(NC(=O)NCc2ccc(Br)c(F)c2)CC[NH2+]CC1 ZINC000891544393 663343496 /nfs/dbraw/zinc/34/34/96/663343496.db2.gz QJKGGXKRFODUQX-UHFFFAOYSA-N 1 0 388.281 2.546 20 0 GFADRO CCOCC[NH+]1CCN(Cc2ccc(Br)cc2NC(C)=O)CC1 ZINC000891575368 663344315 /nfs/dbraw/zinc/34/43/15/663344315.db2.gz DADPCZGVCDLFKK-UHFFFAOYSA-N 1 0 384.318 2.562 20 0 GFADRO C[C@H](NC(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1)c1ccc(Br)cn1 ZINC000891869091 663353594 /nfs/dbraw/zinc/35/35/94/663353594.db2.gz UQKCNRNMBZXJDT-NGZCFLSTSA-N 1 0 395.223 2.684 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)NCCOc2ccc(F)c(Cl)c2)C[C@H]1C(F)(F)F ZINC000891928813 663355790 /nfs/dbraw/zinc/35/57/90/663355790.db2.gz CRMSNRVHFJUCPJ-MWLCHTKSSA-N 1 0 383.773 2.637 20 0 GFADRO O=C(NCCC[NH2+]C1CC1)NCc1ccn(-c2ccc(Br)cc2)n1 ZINC000891966475 663356821 /nfs/dbraw/zinc/35/68/21/663356821.db2.gz OLXSTGLOQYZYMA-UHFFFAOYSA-N 1 0 392.301 2.576 20 0 GFADRO CN(C[C@@H](O)COc1cc(Cl)cc(Cl)c1)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000892082383 663361250 /nfs/dbraw/zinc/36/12/50/663361250.db2.gz YWQXHLZGWOLGJV-HUUCEWRRSA-N 1 0 390.311 2.517 20 0 GFADRO CC(=O)Nc1cc(Br)ccc1CN1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000892114402 663362323 /nfs/dbraw/zinc/36/23/23/663362323.db2.gz FDROCNAQGRHOGS-OAHLLOKOSA-N 1 0 396.329 2.562 20 0 GFADRO C[C@@H](CCCC[NH3+])NC(=O)N(C)C[C@H](O)COc1cc(Cl)cc(Cl)c1 ZINC000892136606 663362884 /nfs/dbraw/zinc/36/28/84/663362884.db2.gz YQGSDOMIWHPIGN-WFASDCNBSA-N 1 0 392.327 2.892 20 0 GFADRO C[C@H](CCC[NH3+])NC(=O)N(C)C[C@H](O)COc1cc(Cl)cc(Cl)c1 ZINC000892138895 663363150 /nfs/dbraw/zinc/36/31/50/663363150.db2.gz GMWJHJUGYWMTBC-RISCZKNCSA-N 1 0 378.300 2.502 20 0 GFADRO [NH3+]CC1(CCNC(=O)NCc2ccn(-c3ccc(Br)cc3)n2)CC1 ZINC000892220663 663366087 /nfs/dbraw/zinc/36/60/87/663366087.db2.gz ZPDQLEKYBTYACU-UHFFFAOYSA-N 1 0 392.301 2.563 20 0 GFADRO CC(C)(COc1ncccc1Br)NC(=O)N1C2CCC1(C[NH3+])CC2 ZINC000892463588 663374753 /nfs/dbraw/zinc/37/47/53/663374753.db2.gz KOSBZGAFUGMKRU-UHFFFAOYSA-N 1 0 397.317 2.667 20 0 GFADRO CC1(C)C[NH2+]CC[C@H](NC(=O)N[C@H](CCO)c2ccccc2Br)C1 ZINC000892491191 663375375 /nfs/dbraw/zinc/37/53/75/663375375.db2.gz GCZJHSNLYIXLGN-XJKSGUPXSA-N 1 0 398.345 2.950 20 0 GFADRO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCN(C(=O)NCCSCCC(F)(F)F)C2)C1 ZINC000892541608 663376714 /nfs/dbraw/zinc/37/67/14/663376714.db2.gz CZANOVOAEAANSZ-MGPQQGTHSA-N 1 0 383.480 2.600 20 0 GFADRO CC(=O)Nc1cc(Br)ccc1C[NH2+]CCNC(=O)c1cccs1 ZINC000892606261 663378486 /nfs/dbraw/zinc/37/84/86/663378486.db2.gz HLPPCOBOPDNLAF-UHFFFAOYSA-N 1 0 396.310 2.989 20 0 GFADRO O=C(NCc1ccc(Br)cn1)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000892615619 663378779 /nfs/dbraw/zinc/37/87/79/663378779.db2.gz FDKFOSVOMNFDOX-UONOGXRCSA-N 1 0 381.318 2.765 20 0 GFADRO CCN(CC)S(=O)(=O)c1ccc(CC[NH2+]Cc2cnc(F)c(C)c2)s1 ZINC000892903510 663388840 /nfs/dbraw/zinc/38/88/40/663388840.db2.gz RBGOLZRVTJQSAZ-UHFFFAOYSA-N 1 0 385.530 2.953 20 0 GFADRO CC1(C)CN([C@@H](C[NH2+]C2CCS(=O)CC2)c2ccc(Cl)cc2)CCO1 ZINC000892921599 663389619 /nfs/dbraw/zinc/38/96/19/663389619.db2.gz WZXZUBZKMXBMPX-SGKRCEGKSA-N 1 0 384.973 2.993 20 0 GFADRO CC(C)NS(=O)(=O)Cc1ccc(C[NH2+]Cc2cn3ccnc3s2)cc1 ZINC000892929831 663390101 /nfs/dbraw/zinc/39/01/01/663390101.db2.gz LTHOEXDXXVUUPL-UHFFFAOYSA-N 1 0 378.523 2.513 20 0 GFADRO O=S1CCC([NH2+][C@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)CC1 ZINC000893137476 663398053 /nfs/dbraw/zinc/39/80/53/663398053.db2.gz BRBLKSPUZJQJOS-FBPWQDLSSA-N 1 0 381.851 2.833 20 0 GFADRO Cn1cc(C[NH2+]C[C@H](O)COc2ccccc2Br)c(C2CC2)n1 ZINC000893172137 663399910 /nfs/dbraw/zinc/39/99/10/663399910.db2.gz MVHITHAGHYADEG-AWEZNQCLSA-N 1 0 380.286 2.590 20 0 GFADRO CC(C)([NH2+]Cc1cnc2n1CCOC2)[C@@H](O)c1ccc(Br)cc1 ZINC000893603171 663416938 /nfs/dbraw/zinc/41/69/38/663416938.db2.gz TXNXTJJKWPUYNK-INIZCTEOSA-N 1 0 380.286 2.778 20 0 GFADRO CCOC(=O)N1CC[C@H]([NH2+]Cc2ccc(Br)cc2NC(C)=O)C1 ZINC000893656970 663419217 /nfs/dbraw/zinc/41/92/17/663419217.db2.gz WGICNBBTFCABJN-AWEZNQCLSA-N 1 0 384.274 2.728 20 0 GFADRO CC(C)[NH2+][C@H]1CCCN(C(=O)C[C@H]2C(=O)Nc3ccc(Br)cc32)C1 ZINC000893797571 663425067 /nfs/dbraw/zinc/42/50/67/663425067.db2.gz DXRIBIJXFVAANC-DZGCQCFKSA-N 1 0 394.313 2.864 20 0 GFADRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1Cc1nc(Br)nn1C ZINC000894044573 663439292 /nfs/dbraw/zinc/43/92/92/663439292.db2.gz KLWPMCJSRVUPAV-AWEZNQCLSA-N 1 0 378.318 2.674 20 0 GFADRO CN(CC[NH2+]Cc1sc(N2CCOCC2)nc1Cl)Cc1ccccc1 ZINC000894200165 663448217 /nfs/dbraw/zinc/44/82/17/663448217.db2.gz KIIQDEOGDRDDHI-UHFFFAOYSA-N 1 0 380.945 2.855 20 0 GFADRO Cn1ncc(I)c1C[NH2+]C[C@H]1CCCO[C@@H]1C(C)(C)C ZINC000894259664 663451295 /nfs/dbraw/zinc/45/12/95/663451295.db2.gz GARHCAWZCAUGAO-RISCZKNCSA-N 1 0 391.297 2.956 20 0 GFADRO C[C@H]1C[C@@H](NCc2nc(Br)nn2C)CC[N@@H+]1Cc1ccccc1 ZINC000894324959 663454745 /nfs/dbraw/zinc/45/47/45/663454745.db2.gz KWXYQYCJUCAHFG-ZFWWWQNUSA-N 1 0 378.318 2.720 20 0 GFADRO COCCC1(C[NH2+]Cc2cn(C)nc2I)CCCC1 ZINC000894330811 663455089 /nfs/dbraw/zinc/45/50/89/663455089.db2.gz VRFAYIXQIQCABJ-UHFFFAOYSA-N 1 0 377.270 2.711 20 0 GFADRO C[C@H]([NH2+]Cc1sc(N2CCOCC2)nc1Cl)[C@@H](O)Cc1ccccc1 ZINC000894358811 663457370 /nfs/dbraw/zinc/45/73/70/663457370.db2.gz KNITVXNCQIOCDR-ZFWWWQNUSA-N 1 0 381.929 2.715 20 0 GFADRO C[C@](CO)([NH2+][C@@H]1CCC2(C[C@H]1F)OCCO2)c1ccc(Br)cc1 ZINC000894401337 663459768 /nfs/dbraw/zinc/45/97/68/663459768.db2.gz CSDDPBUPBNXHOA-BZUAXINKSA-N 1 0 388.277 2.880 20 0 GFADRO CC(C)C[C@H]1OCCC[C@H]1[NH2+]Cc1cn(C)nc1I ZINC000894491996 663464918 /nfs/dbraw/zinc/46/49/18/663464918.db2.gz XLYJBWOUVFVPPY-CHWSQXEVSA-N 1 0 377.270 2.708 20 0 GFADRO Cn1cc(C[NH2+][C@@H]2CCc3ccccc3OC2)c(I)n1 ZINC000894677338 663475881 /nfs/dbraw/zinc/47/58/81/663475881.db2.gz YZEJURKTIAZWLS-CYBMUJFWSA-N 1 0 383.233 2.508 20 0 GFADRO Cc1ccc([C@@H](O)[C@H](C)[NH2+]Cc2c(I)cnn2C)cc1 ZINC000894746989 663479083 /nfs/dbraw/zinc/47/90/83/663479083.db2.gz ABDABXPBBQJHFK-NHYWBVRUSA-N 1 0 385.249 2.545 20 0 GFADRO COc1ccc(C[C@H](CO)C[NH2+]C2CCC(C)(O)CC2)cc1Br ZINC000894750696 663479431 /nfs/dbraw/zinc/47/94/31/663479431.db2.gz KICZKLRWXVCCDV-SYJJWHGVSA-N 1 0 386.330 2.892 20 0 GFADRO Cc1[nH+]c2cc(NCc3occc3Br)ccc2n1C(CO)CO ZINC000894926007 663488908 /nfs/dbraw/zinc/48/89/08/663488908.db2.gz OPAIDWAUPMZEQW-UHFFFAOYSA-N 1 0 380.242 2.838 20 0 GFADRO Cc1ccnc(N)c1C[NH2+]C[C@@H](CO)Cc1cccc(Br)c1C ZINC000894927915 663488934 /nfs/dbraw/zinc/48/89/34/663488934.db2.gz MFIOKUFCNARFRZ-AWEZNQCLSA-N 1 0 378.314 2.984 20 0 GFADRO C[NH+](C)C[C@@]1(O)CCN(c2nn3cc(-c4ccc(Cl)cc4)nc3s2)C1 ZINC000895010678 663495114 /nfs/dbraw/zinc/49/51/14/663495114.db2.gz VLPNPILTPAHPNZ-KRWDZBQOSA-N 1 0 377.901 2.614 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCN(C)[C@@H](c2ccc(Br)cc2)C1)C1N=NC(=O)N1C ZINC000895171470 663501625 /nfs/dbraw/zinc/50/16/25/663501625.db2.gz OADMMODIWKFGCD-NILFDRSVSA-N 1 0 394.317 2.769 20 0 GFADRO C[C@H](Nc1ccc(Br)c(C(F)(F)F)n1)[C@H]1C[N@H+](C)CCN1C ZINC000895247529 663504963 /nfs/dbraw/zinc/50/49/63/663504963.db2.gz VMFHVNIQBLVRNV-GXSJLCMTSA-N 1 0 381.240 2.909 20 0 GFADRO C[C@]1(CO)C[C@@H](O)C[N@@H+]1Cc1cnc(-c2ccc(Br)cc2)s1 ZINC000895332803 663508602 /nfs/dbraw/zinc/50/86/02/663508602.db2.gz YZWNKIQZDPQEOY-CZUORRHYSA-N 1 0 383.311 2.890 20 0 GFADRO CS(=O)(=O)C1CC([NH2+][C@@H]2CSCc3ccc(Br)cc32)C1 ZINC000895370616 663510267 /nfs/dbraw/zinc/51/02/67/663510267.db2.gz KZYDFMYKHIFQRJ-ORHYLEIMSA-N 1 0 376.341 2.902 20 0 GFADRO O=C(OCc1ccccc1)N1CC[C@@H]([NH2+]Cc2cnc(Br)cn2)C1 ZINC000895407650 663512154 /nfs/dbraw/zinc/51/21/54/663512154.db2.gz WGCUBDVGOVRQNU-CQSZACIVSA-N 1 0 391.269 2.740 20 0 GFADRO CCOC(=O)C(F)(F)[C@H]1CC[C@H]([NH2+]Cc2cnc(Br)cn2)C1 ZINC000895408318 663512455 /nfs/dbraw/zinc/51/24/55/663512455.db2.gz UHOUGWJJJYIQLE-UWVGGRQHSA-N 1 0 378.217 2.696 20 0 GFADRO OCC1([C@H]([NH2+]Cc2ncc(Br)cc2O)c2ccncc2)CCC1 ZINC000895482240 663516817 /nfs/dbraw/zinc/51/68/17/663516817.db2.gz SEDYTYYMKASOOM-MRXNPFEDSA-N 1 0 378.270 2.938 20 0 GFADRO CN(CCCC[NH+]1CCCCC1)Cc1c(I)cnn1C ZINC000895683640 663522833 /nfs/dbraw/zinc/52/28/33/663522833.db2.gz QHVQKUUTNJUQAD-UHFFFAOYSA-N 1 0 390.313 2.723 20 0 GFADRO C[C@H](C[C@@H]1CCCC(=O)N1)[NH2+][C@@H]1CCc2cc(Br)ccc2NC1=O ZINC000895693738 663523500 /nfs/dbraw/zinc/52/35/00/663523500.db2.gz BLCRMGLHGZXIFI-DIOULYMOSA-N 1 0 394.313 2.739 20 0 GFADRO O=C(/C=C/C=C(Cl)Cl)NCc1ccccc1OCCN1CCOCC1 ZINC000895945538 663534548 /nfs/dbraw/zinc/53/45/48/663534548.db2.gz WOKNMGFTTHYNLD-XVNBXDOJSA-N 1 0 385.291 2.889 20 0 GFADRO O=C(N1CCO[C@@H](c2ccccc2Br)C1)[C@@]12CC[N@H+](C1)CCC2 ZINC000896048546 663538844 /nfs/dbraw/zinc/53/88/44/663538844.db2.gz GHCDCTJXQTYVJQ-AEFFLSMTSA-N 1 0 379.298 2.835 20 0 GFADRO CS(C)(=O)=NS(=O)(=O)CC[NH2+][C@@H]1CC=C(c2ccc(Cl)cc2)CC1 ZINC000896314477 663550703 /nfs/dbraw/zinc/55/07/03/663550703.db2.gz JQFUCYQYBZMHJS-MRXNPFEDSA-N 1 0 390.958 2.923 20 0 GFADRO Brc1c(C[NH2+][C@H]2CCCN3CCSC[C@@H]23)nc2ccccn21 ZINC000896432916 663557282 /nfs/dbraw/zinc/55/72/82/663557282.db2.gz SSMMMGRPCUPXSA-JSGCOSHPSA-N 1 0 381.343 2.766 20 0 GFADRO NS(=O)(=O)c1ccc(C[N@@H+]2CCC[C@H](c3nc4c(s3)CCC4)C2)cc1 ZINC000896518672 663560013 /nfs/dbraw/zinc/56/00/13/663560013.db2.gz SWQGQQBHZLSDOO-AWEZNQCLSA-N 1 0 377.535 2.659 20 0 GFADRO CSc1cc(C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCN2C)ccc1Br ZINC000896526662 663560740 /nfs/dbraw/zinc/56/07/40/663560740.db2.gz JNNVPLHVEBMWTJ-BXUZGUMPSA-N 1 0 386.359 2.535 20 0 GFADRO C[C@@H](NC(=O)C(F)(F)c1cc(Cl)ccc1Cl)[C@@H]1C[N@H+](C)CCN1C ZINC000896532196 663561573 /nfs/dbraw/zinc/56/15/73/663561573.db2.gz AYSDYUGHYYIRHS-YGRLFVJLSA-N 1 0 380.266 2.836 20 0 GFADRO C[C@H](NC(=O)c1cc(Cl)c(Br)cc1F)[C@@H]1C[N@H+](C)CCN1C ZINC000896539343 663562110 /nfs/dbraw/zinc/56/21/10/663562110.db2.gz MXKHQQJNHIIXIS-XPTSAGLGSA-N 1 0 392.700 2.606 20 0 GFADRO Cc1cc(Br)cc2cc(C(=O)N[C@H](C)[C@H]3C[N@H+](C)CCN3C)oc21 ZINC000896548573 663563135 /nfs/dbraw/zinc/56/31/35/663563135.db2.gz KHRSHJRZCMILTH-IUODEOHRSA-N 1 0 394.313 2.868 20 0 GFADRO CC(C)Oc1cc(Br)cc(C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCN2C)c1 ZINC000896556383 663563543 /nfs/dbraw/zinc/56/35/43/663563543.db2.gz PEFBKGUXEMPAIN-CXAGYDPISA-N 1 0 398.345 2.600 20 0 GFADRO C[C@@H](NC(=O)c1cnc(-c2ccccc2Cl)s1)[C@H]1C[N@H+](C)CCN1C ZINC000896563649 663564335 /nfs/dbraw/zinc/56/43/35/663564335.db2.gz MFNVBIGNYBEQIX-IUODEOHRSA-N 1 0 378.929 2.828 20 0 GFADRO C[C@@H](NC(=O)c1csc(-c2ccc(Cl)s2)n1)[C@H]1C[N@H+](C)CCN1C ZINC000896570503 663565269 /nfs/dbraw/zinc/56/52/69/663565269.db2.gz ZLSGUAPUEDXNJG-ZYHUDNBSSA-N 1 0 384.958 2.889 20 0 GFADRO C[C@H](NC(=O)c1csc(-c2cccc(Cl)c2)n1)[C@H]1C[N@H+](C)CCN1C ZINC000896576480 663565336 /nfs/dbraw/zinc/56/53/36/663565336.db2.gz HTSFHMZNXRIBMD-BLLLJJGKSA-N 1 0 378.929 2.828 20 0 GFADRO C[C@H](NC(=O)c1csc(-c2ccc(Cl)cc2)n1)[C@H]1C[N@H+](C)CCN1C ZINC000896575742 663565531 /nfs/dbraw/zinc/56/55/31/663565531.db2.gz BWGGMVXHFLTSRR-BLLLJJGKSA-N 1 0 378.929 2.828 20 0 GFADRO CN1CCN(c2nc(C(F)(F)F)c(Br)s2)CC[N@H+](C)CC1 ZINC000897095740 663591946 /nfs/dbraw/zinc/59/19/46/663591946.db2.gz XKIADJUVGXSDAE-UHFFFAOYSA-N 1 0 387.269 2.608 20 0 GFADRO C[C@H]1CCC[N@@H+]1CCNC(=O)N1CCC[C@H]1c1ncc(Br)cn1 ZINC000897518817 663608320 /nfs/dbraw/zinc/60/83/20/663608320.db2.gz LAFXYCPHWMFSSC-JSGCOSHPSA-N 1 0 382.306 2.570 20 0 GFADRO CCOC(=O)C1([C@H](C)[NH2+]Cc2cccc(O)c2Br)CCOCC1 ZINC000897741794 663618241 /nfs/dbraw/zinc/61/82/41/663618241.db2.gz VJCOSYCGERCXTB-LBPRGKRZSA-N 1 0 386.286 2.993 20 0 GFADRO C[N@@H+]1CC[C@H](C(=O)NCCCn2cc(Br)cn2)[C@@H]1c1ccccc1 ZINC000897772748 663619991 /nfs/dbraw/zinc/61/99/91/663619991.db2.gz AHKPFMYYHIMPOW-IRXDYDNUSA-N 1 0 391.313 2.845 20 0 GFADRO COc1ccc2c(c1)CC[C@H]2[NH2+][C@H]1Cc2cc(Br)cnc2NC1=O ZINC000897977332 663627812 /nfs/dbraw/zinc/62/78/12/663627812.db2.gz DDDYUOSFMHTOSG-CVEARBPZSA-N 1 0 388.265 2.993 20 0 GFADRO Cn1cc([C@@]2(C[NH2+]Cc3cc(Br)cc4c3OCC4)CCCO2)cn1 ZINC000898056015 663631590 /nfs/dbraw/zinc/63/15/90/663631590.db2.gz BFQOPBBUDBGCPT-SFHVURJKSA-N 1 0 392.297 2.913 20 0 GFADRO Ic1ccc(C[NH2+][C@@H]2CCOC23CCOCC3)s1 ZINC000898116020 663634341 /nfs/dbraw/zinc/63/43/41/663634341.db2.gz NROIRTHZVYXPKN-LLVKDONJSA-N 1 0 379.263 2.780 20 0 GFADRO O=c1[nH]ncc(N2CC[C@H]([NH2+]Cc3cc(O)ccc3Br)C2)c1Cl ZINC000898365082 663644505 /nfs/dbraw/zinc/64/45/05/663644505.db2.gz VLKKLGGFFUPGEG-JTQLQIEISA-N 1 0 399.676 2.672 20 0 GFADRO CC[NH+](CC)CCN(CC(C)C)C(=O)NCc1ncc(Br)cn1 ZINC000898398866 663648329 /nfs/dbraw/zinc/64/83/29/663648329.db2.gz NYTPEMSQCKGKRJ-UHFFFAOYSA-N 1 0 386.338 2.749 20 0 GFADRO COC(=O)C1CC2(C1)C[C@@H]([NH2+][C@H](C)c1ccc(Cl)cc1)CCS2(=O)=O ZINC000898487766 663652236 /nfs/dbraw/zinc/65/22/36/663652236.db2.gz GCGKCOCRHZEQCR-DRMSGTBHSA-N 1 0 385.913 2.890 20 0 GFADRO COC(=O)C1CC2(C1)C[C@@H]([NH2+][C@@H](C)CCc1ccsc1)CCS2(=O)=O ZINC000898487245 663652241 /nfs/dbraw/zinc/65/22/41/663652241.db2.gz JRMLIMWWTUHXLD-VADGTKANSA-N 1 0 385.551 2.558 20 0 GFADRO C[C@H](CCn1cccn1)[NH2+][C@H](CO)c1ccccc1I ZINC000898511974 663653926 /nfs/dbraw/zinc/65/39/26/663653926.db2.gz GMKYHKYIOMTMJB-IUODEOHRSA-N 1 0 385.249 2.590 20 0 GFADRO O=C(N1CCOC[C@@H]1c1ccc(Br)cc1)[C@@]12CC[N@H+](C1)CCC2 ZINC000898723538 663660807 /nfs/dbraw/zinc/66/08/07/663660807.db2.gz HSVCPRJSFJVACA-AEFFLSMTSA-N 1 0 379.298 2.835 20 0 GFADRO Cc1ccccc1-n1cc(C[NH2+][C@@H]2CCc3ncc(Br)n3C2)nn1 ZINC000898722247 663660833 /nfs/dbraw/zinc/66/08/33/663660833.db2.gz ZCXHALULYJDTIM-CYBMUJFWSA-N 1 0 387.285 2.639 20 0 GFADRO C[C@@H](CC(=O)N1CCCCCC1)[NH2+][C@H]1CCc2ncc(Br)n2C1 ZINC000898724549 663661282 /nfs/dbraw/zinc/66/12/82/663661282.db2.gz NKHUHOOYDWZEIX-KBPBESRZSA-N 1 0 383.334 2.731 20 0 GFADRO CC(C)(CNC(=O)C1(c2cccc(Br)c2)CC(=O)C1)n1ccnc1 ZINC000898906100 663669003 /nfs/dbraw/zinc/66/90/03/663669003.db2.gz AKHPOPOGQOSZNU-UHFFFAOYSA-N 1 0 390.281 2.798 20 0 GFADRO CC[C@@H](C)[NH2+][C@H](CNC(=O)C1(n2cc(Br)cn2)CC1)c1ccco1 ZINC000899080919 663674514 /nfs/dbraw/zinc/67/45/14/663674514.db2.gz ZGVHEYWYTLSSGO-TZMCWYRMSA-N 1 0 395.301 2.973 20 0 GFADRO Cc1c(Br)cc(F)cc1C(=O)N1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000899212416 663679941 /nfs/dbraw/zinc/67/99/41/663679941.db2.gz QGUHSOGLSSUAKQ-UHFFFAOYSA-N 1 0 399.304 2.863 20 0 GFADRO CCO[C@H](CNC(=S)Nc1ccccc1OCC(F)(F)F)C[NH+](C)C ZINC000899565633 663693930 /nfs/dbraw/zinc/69/39/30/663693930.db2.gz HWVZJTDYBMQKFH-GFCCVEGCSA-N 1 0 379.448 2.881 20 0 GFADRO [NH3+][C@@H](c1cn([C@@H]2CCOc3ccc(Br)cc32)nn1)C1CCOCC1 ZINC000899739763 663699695 /nfs/dbraw/zinc/69/96/95/663699695.db2.gz VZMIITMUVHAMQD-NVXWUHKLSA-N 1 0 393.285 2.839 20 0 GFADRO C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)c1[nH]nc(C2CC2)c1Br ZINC000899814501 663700776 /nfs/dbraw/zinc/70/07/76/663700776.db2.gz HYTAAVBOQXEKGA-LLVKDONJSA-N 1 0 390.285 2.796 20 0 GFADRO C[N@@H+]1CCC[C@@](O)(CC(=O)Nc2cc(Cl)ccc2N2CCSCC2)C1 ZINC000900468047 663715115 /nfs/dbraw/zinc/71/51/15/663715115.db2.gz QGPSUZLVRLDKRJ-GOSISDBHSA-N 1 0 383.945 2.679 20 0 GFADRO O=C(Nc1ccc(Br)cc1F)N1CC[NH2+]CCC12CCOCC2 ZINC000900477916 663715337 /nfs/dbraw/zinc/71/53/37/663715337.db2.gz NPXQTOSABILESX-UHFFFAOYSA-N 1 0 386.265 2.965 20 0 GFADRO C[NH+]1CCC(NCc2cn(Cc3cccc(Br)c3Cl)nn2)CC1 ZINC000900557756 663717034 /nfs/dbraw/zinc/71/70/34/663717034.db2.gz FPMBCUSGIGKQTE-UHFFFAOYSA-N 1 0 398.736 2.926 20 0 GFADRO Cc1cc(Cn2cc(C[C@H]3CC[NH2+]C3)nn2)c(C)cc1I ZINC000900599299 663717752 /nfs/dbraw/zinc/71/77/52/663717752.db2.gz AGILMBBSZGOOED-CYBMUJFWSA-N 1 0 396.276 2.700 20 0 GFADRO Cc1ccc(F)c(Br)c1C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000900725775 663720366 /nfs/dbraw/zinc/72/03/66/663720366.db2.gz OGAFDDAKJZZUBL-AWEZNQCLSA-N 1 0 398.320 2.749 20 0 GFADRO CC(C)[NH+]1CCN(CCC(=O)Nc2ccc(Cl)c(C[S@@](C)=O)c2)CC1 ZINC000900730836 663720524 /nfs/dbraw/zinc/72/05/24/663720524.db2.gz IJRQOXSYIUZLPV-RUZDIDTESA-N 1 0 385.961 2.573 20 0 GFADRO O=C([C@@H](O)c1cccc(Br)c1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000900784852 663721501 /nfs/dbraw/zinc/72/15/01/663721501.db2.gz VVLGHXAXHLDHNE-SJORKVTESA-N 1 0 381.314 2.959 20 0 GFADRO CCn1c(Br)ncc1C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000901315193 663734044 /nfs/dbraw/zinc/73/40/44/663734044.db2.gz QMXIRNWWZVJPES-UHFFFAOYSA-N 1 0 392.301 2.707 20 0 GFADRO COc1ccc(Br)cc1OCC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000902592271 663764067 /nfs/dbraw/zinc/76/40/67/663764067.db2.gz JABZHDDWTCOLSW-UHFFFAOYSA-N 1 0 385.302 2.826 20 0 GFADRO COC(=O)c1c2cnn(C[N@@H+](C)[C@H]3CC[C@H]3OC)c2ccc1Br ZINC000902636342 663764900 /nfs/dbraw/zinc/76/49/00/663764900.db2.gz AKUWFGDZUCQFFC-UONOGXRCSA-N 1 0 382.258 2.652 20 0 GFADRO Cn1c2ccccc2c(Br)c1C[NH2+]CC[C@H]1CCCS1(=O)=O ZINC000902645514 663765086 /nfs/dbraw/zinc/76/50/86/663765086.db2.gz WHVKWMDGKCJASH-GFCCVEGCSA-N 1 0 385.327 2.998 20 0 GFADRO O[C@H](C[NH2+][C@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21)COc1ccccc1Br ZINC000902880066 663769039 /nfs/dbraw/zinc/76/90/39/663769039.db2.gz CBJJRXLEPVMSCW-FUGPKHRJSA-N 1 0 382.298 2.592 20 0 GFADRO CC(C)[N@@H+]1CCC[C@@H]1C(=O)Nc1cc(Br)ccc1-n1cncn1 ZINC000903013303 663771175 /nfs/dbraw/zinc/77/11/75/663771175.db2.gz DJTHAOIWWZHYFY-OAHLLOKOSA-N 1 0 378.274 2.841 20 0 GFADRO COc1ccc(Br)c(C(=O)NCCC[NH2+][C@H]2CCC[C@H]2OC)c1 ZINC000903091983 663772955 /nfs/dbraw/zinc/77/29/55/663772955.db2.gz FAPMYMCLFLMSIA-JKSUJKDBSA-N 1 0 385.302 2.735 20 0 GFADRO Brc1ccc(CN2CCC([NH2+][C@H]3CCO[C@@]34CCOC4)CC2)cc1 ZINC000903112521 663774164 /nfs/dbraw/zinc/77/41/64/663774164.db2.gz HCXKYEWCOXKSLL-RBUKOAKNSA-N 1 0 395.341 2.951 20 0 GFADRO C[C@H]([NH2+]CC(=O)NC1CCCC1)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000903120179 663774593 /nfs/dbraw/zinc/77/45/93/663774593.db2.gz NYYAEPUCTRRKAT-NSHDSACASA-N 1 0 378.416 2.690 20 0 GFADRO Brc1ccc(-n2cc(C[NH2+][C@H]3CCO[C@]34CCOC4)cn2)cc1 ZINC000903160758 663776406 /nfs/dbraw/zinc/77/64/06/663776406.db2.gz MYNUJSAVLUUOSO-IRXDYDNUSA-N 1 0 378.270 2.672 20 0 GFADRO O=S(=O)(c1ccc(OC(F)F)c(Cl)c1)N1CCC([NH+]2CCC2)CC1 ZINC000903202877 663778389 /nfs/dbraw/zinc/77/83/89/663778389.db2.gz KQGDAVSIXPVSHT-UHFFFAOYSA-N 1 0 380.844 2.800 20 0 GFADRO C[C@@H]([NH2+]CCOC1CCOCC1)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000903225444 663779155 /nfs/dbraw/zinc/77/91/55/663779155.db2.gz GFGOIAPKBMOGAZ-GFCCVEGCSA-N 1 0 381.416 2.826 20 0 GFADRO C[C@H]([NH2+]C[C@H]1CCCC[C@@H]1NS(C)(=O)=O)c1ccc(Br)cn1 ZINC000903234825 663780223 /nfs/dbraw/zinc/78/02/23/663780223.db2.gz PUYQUJDACGOEON-ZOWXZIJZSA-N 1 0 390.347 2.603 20 0 GFADRO C[C@H]([NH2+]C[C@@H]1CCCC[C@H]1NS(C)(=O)=O)c1cccc(Br)n1 ZINC000903234890 663780254 /nfs/dbraw/zinc/78/02/54/663780254.db2.gz QVSRPVKPAYJMDV-SGMGOOAPSA-N 1 0 390.347 2.603 20 0 GFADRO C[C@@H]([NH2+]C1CC(CC(N)=O)C1)c1ccc(F)c(I)c1 ZINC000903253871 663780608 /nfs/dbraw/zinc/78/06/08/663780608.db2.gz NXIWYHZFPBBQFS-FKTRJACZSA-N 1 0 376.213 2.735 20 0 GFADRO COc1cc([C@H](C)[NH2+]C[C@]2(OC)CCSC2)ccc1S(=O)(=O)C(F)F ZINC000903310980 663781246 /nfs/dbraw/zinc/78/12/46/663781246.db2.gz POMMLMLISSBPSB-MEDUHNTESA-N 1 0 395.493 2.864 20 0 GFADRO COc1cc([C@@H](C)[NH2+]C[C@@]2(OC)CCSC2)ccc1S(=O)(=O)C(F)F ZINC000903310979 663781268 /nfs/dbraw/zinc/78/12/68/663781268.db2.gz POMMLMLISSBPSB-BZNIZROVSA-N 1 0 395.493 2.864 20 0 GFADRO CO[C@]1(C[NH2+][C@H](C)c2ccc(Br)cc2C)CCS(=O)(=O)C1 ZINC000903363426 663782718 /nfs/dbraw/zinc/78/27/18/663782718.db2.gz OJOFFUZCZPGDCN-DOMZBBRYSA-N 1 0 376.316 2.612 20 0 GFADRO CO[C@]1(C[NH2+][C@H]2CCCc3c4cccc(Cl)c4[nH]c32)CCS(=O)(=O)C1 ZINC000903363894 663782845 /nfs/dbraw/zinc/78/28/45/663782845.db2.gz SJBOAHUGLYEMND-YJBOKZPZSA-N 1 0 382.913 2.992 20 0 GFADRO CC[C@@H]([NH2+]C[C@]1(OC)CCS(=O)(=O)C1)c1cc(F)cc(Br)c1 ZINC000903366013 663783032 /nfs/dbraw/zinc/78/30/32/663783032.db2.gz RPVYHQBQXAQFJU-HUUCEWRRSA-N 1 0 394.306 2.833 20 0 GFADRO O=c1cc(N2CC[C@H]([NH2+][C@H]3CCc4c3c(Br)ccc4F)C2)nc[nH]1 ZINC000903394454 663783478 /nfs/dbraw/zinc/78/34/78/663783478.db2.gz CXHWOGQYIZBZDY-HZMBPMFUSA-N 1 0 393.260 2.940 20 0 GFADRO O=c1cc(N2CC[C@@H]([NH2+][C@H]3CCc4c3cc(Br)cc4F)C2)nc[nH]1 ZINC000903399984 663783893 /nfs/dbraw/zinc/78/38/93/663783893.db2.gz ZUWOTTDXQNZEIX-ABAIWWIYSA-N 1 0 393.260 2.940 20 0 GFADRO O=c1ccn(CCC[NH2+][C@@H](c2ccc(Br)s2)C2CC2)c(=O)[nH]1 ZINC000903432014 663784569 /nfs/dbraw/zinc/78/45/69/663784569.db2.gz FHLFIOJFTIKANY-CQSZACIVSA-N 1 0 384.299 2.904 20 0 GFADRO C[C@H]([NH2+][C@H]1CCN(c2cn[nH]c(=O)c2Cl)C1)c1cccc(Br)n1 ZINC000903434072 663784734 /nfs/dbraw/zinc/78/47/34/663784734.db2.gz IPJDUPHSVWJRLE-UWVGGRQHSA-N 1 0 398.692 2.923 20 0 GFADRO [NH3+][C@@H]1CCO[C@@H](C2CCN(S(=O)(=O)c3cc4ccccc4s3)CC2)C1 ZINC000903504362 663785821 /nfs/dbraw/zinc/78/58/21/663785821.db2.gz SOFXRCLILGDWML-HZPDHXFCSA-N 1 0 380.535 2.808 20 0 GFADRO [NH3+][C@@H]1CN(CCC(=O)Nc2ccc(Br)cc2)C[C@H]1C(F)(F)F ZINC000903514875 663786506 /nfs/dbraw/zinc/78/65/06/663786506.db2.gz XQQFBGFDHUSCQT-VXGBXAGGSA-N 1 0 380.208 2.599 20 0 GFADRO Cc1ccc(NC(=O)CN2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)c(Br)c1 ZINC000903519248 663786859 /nfs/dbraw/zinc/78/68/59/663786859.db2.gz UYDZIVAXWPXFDR-MWLCHTKSSA-N 1 0 380.208 2.517 20 0 GFADRO COC(=O)c1ccc(Cl)cc1S(=O)(=O)N1CCC(C(C)(C)C[NH3+])CC1 ZINC000903521043 663787014 /nfs/dbraw/zinc/78/70/14/663787014.db2.gz GESZGCFICSLYNF-UHFFFAOYSA-N 1 0 388.917 2.512 20 0 GFADRO C[C@H](C(=O)Nc1ccccc1Br)N1CC[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903536037 663787758 /nfs/dbraw/zinc/78/77/58/663787758.db2.gz ZQXYFNJMEDDCGY-CKYFFXLPSA-N 1 0 394.235 2.988 20 0 GFADRO [NH3+][C@@H]1CN(S(=O)(=O)c2c(Cl)cc(F)cc2Cl)C[C@H]1C(F)(F)F ZINC000903572193 663789287 /nfs/dbraw/zinc/78/92/87/663789287.db2.gz HIFWKMGZAMGXHM-HZGVNTEJSA-N 1 0 381.178 2.643 20 0 GFADRO [NH3+][C@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC[C@@H]1C(F)(F)F ZINC000903576980 663789852 /nfs/dbraw/zinc/78/98/52/663789852.db2.gz BDOPHFICFPUQFV-QWRGUYRKSA-N 1 0 376.322 2.606 20 0 GFADRO [NH3+][C@@H]1CN(S(=O)(=O)c2ccc(CC(F)(F)F)cc2)CC[C@@H]1C(F)(F)F ZINC000903579698 663790096 /nfs/dbraw/zinc/79/00/96/663790096.db2.gz PBFKKZKBJDLTNE-NWDGAFQWSA-N 1 0 390.349 2.692 20 0 GFADRO [NH3+][C@H]1CN(S(=O)(=O)Cc2cccc(C(F)(F)F)c2)CC[C@H]1C(F)(F)F ZINC000903580871 663790375 /nfs/dbraw/zinc/79/03/75/663790375.db2.gz YULXLWUAEYDTNE-NEPJUHHUSA-N 1 0 390.349 2.747 20 0 GFADRO [NH3+]C[C@]12CC[C@@H]1CCN2S(=O)(=O)c1ccc(Cl)cc1Br ZINC000903590583 663790833 /nfs/dbraw/zinc/79/08/33/663790833.db2.gz WZRIWDQQVCNCQU-NOZJJQNGSA-N 1 0 379.707 2.604 20 0 GFADRO Brc1ccc([C@H]2CN(C[C@@H]3CC4(CO3)CC[NH2+]CC4)CCO2)cc1 ZINC000903727910 663805261 /nfs/dbraw/zinc/80/52/61/663805261.db2.gz ZDJZUQDTEMHOIL-ZWKOTPCHSA-N 1 0 395.341 2.981 20 0 GFADRO Brc1cccc([C@H]2COCCN2C[C@@H]2CC3(CO2)CC[NH2+]CC3)c1 ZINC000903767296 663806141 /nfs/dbraw/zinc/80/61/41/663806141.db2.gz VLJNCWNNUKPFRH-ZWKOTPCHSA-N 1 0 395.341 2.981 20 0 GFADRO COCC[C@@H]1C[NH2+]CCN1Cc1coc(-c2ccc(Br)cc2)n1 ZINC000903836653 663808155 /nfs/dbraw/zinc/80/81/55/663808155.db2.gz QUBIMTPZPJVVGQ-MRXNPFEDSA-N 1 0 380.286 2.914 20 0 GFADRO CN(Cc1cnnn1[C@H]1CCC[NH2+]C1)Cc1cc(Br)ccc1F ZINC000903902743 663810689 /nfs/dbraw/zinc/81/06/89/663810689.db2.gz AXNQKSGBGUMPSX-AWEZNQCLSA-N 1 0 382.281 2.736 20 0 GFADRO Cc1c(C[C@H](C[NH3+])CN2CCc3cc(Br)ccc3C2)cnn1C ZINC000903911108 663811210 /nfs/dbraw/zinc/81/12/10/663811210.db2.gz WZWLOTLHARWJDX-CQSZACIVSA-N 1 0 377.330 2.667 20 0 GFADRO Cc1c(C[C@@H](C[NH3+])CN2CCC[C@H]2c2ccc(Br)cn2)cnn1C ZINC000903930222 663812235 /nfs/dbraw/zinc/81/22/35/663812235.db2.gz VECGDKYCCYZCEV-KSSFIOAISA-N 1 0 392.345 2.841 20 0 GFADRO [NH3+]C[C@@H]1C[C@@H]1c1nc(Cc2cc(Br)c3c(c2)OCCCO3)no1 ZINC000904102751 663824163 /nfs/dbraw/zinc/82/41/63/663824163.db2.gz ABHBGUXWJQBHBT-QWRGUYRKSA-N 1 0 380.242 2.646 20 0 GFADRO [NH3+]C1CC(Cc2nc(Cc3cc(Br)c4c(c3)OCCCO4)no2)C1 ZINC000904102898 663824185 /nfs/dbraw/zinc/82/41/85/663824185.db2.gz GZBZHKRTGWMRHQ-UHFFFAOYSA-N 1 0 394.269 2.864 20 0 GFADRO Brc1cc(Cc2noc([C@@H]3[C@@H]4CC[NH2+]C[C@@H]43)n2)cc2c1OCCO2 ZINC000904102925 663824188 /nfs/dbraw/zinc/82/41/88/663824188.db2.gz HWKYDXMLFRIFKA-JRPNMDOOSA-N 1 0 392.253 2.517 20 0 GFADRO COc1ccc(Br)cc1-c1noc(-c2ccn(CCC[NH3+])n2)n1 ZINC000904103360 663824537 /nfs/dbraw/zinc/82/45/37/663824537.db2.gz XAJGEJUOTSXBBY-UHFFFAOYSA-N 1 0 378.230 2.720 20 0 GFADRO [NH3+]C[C@@H]1C[C@@H]1c1nc(C2(c3cccc(Br)c3)CCOCC2)no1 ZINC000904109816 663824716 /nfs/dbraw/zinc/82/47/16/663824716.db2.gz GIVSXTSNQUDXCB-FZMZJTMJSA-N 1 0 378.270 2.991 20 0 GFADRO [NH3+]C[C@@]12CC[C@H]1CCCN2C(=O)Nc1cc2c(cc1Br)OCCO2 ZINC000904279403 663829869 /nfs/dbraw/zinc/82/98/69/663829869.db2.gz UTFBDCOUAINRCC-DIFFPNOSSA-N 1 0 396.285 2.956 20 0 GFADRO COc1cc(Br)c(NC(=O)N2CC[C@@H]3CC[C@]32C[NH3+])cc1OC ZINC000904309217 663830532 /nfs/dbraw/zinc/83/05/32/663830532.db2.gz DCUHDKDNHDZMQE-QFYYESIMSA-N 1 0 384.274 2.811 20 0 GFADRO Cc1cc(Br)ncc1NC(=O)N1CC[NH2+]CCC12CCOCC2 ZINC000904372093 663831845 /nfs/dbraw/zinc/83/18/45/663831845.db2.gz YLTYPGXBWDSKBN-UHFFFAOYSA-N 1 0 383.290 2.529 20 0 GFADRO COCC[C@H]1C[NH2+]CCN1C(=O)Nc1cc(F)c(Br)cc1F ZINC000904392713 663832352 /nfs/dbraw/zinc/83/23/52/663832352.db2.gz XZDRPBVJWRTEFZ-VIFPVBQESA-N 1 0 378.217 2.570 20 0 GFADRO CCCOc1c(Br)cc(CN2CCC[C@@]([NH3+])(CO)C2)cc1OC ZINC000904400219 663832799 /nfs/dbraw/zinc/83/27/99/663832799.db2.gz GTFHMDJHMWRJPN-KRWDZBQOSA-N 1 0 387.318 2.532 20 0 GFADRO COCC[C@@H]1C[NH2+]CCN1C(=O)Nc1cc(F)c(Br)c(F)c1 ZINC000904406550 663833029 /nfs/dbraw/zinc/83/30/29/663833029.db2.gz GTGBLCVYZWWGRO-SNVBAGLBSA-N 1 0 378.217 2.570 20 0 GFADRO COCC[C@H]1C[NH2+]CCN1C(=O)Nc1cc(Br)cc2nc(C)oc21 ZINC000904421501 663833296 /nfs/dbraw/zinc/83/32/96/663833296.db2.gz HFKLZXXSRMZRFE-LBPRGKRZSA-N 1 0 397.273 2.741 20 0 GFADRO [NH3+]C[C@H]1C[C@H](NC(=O)Nc2nnc(-c3cccc(Br)c3)s2)C1 ZINC000904424088 663833685 /nfs/dbraw/zinc/83/36/85/663833685.db2.gz DNQPDCIRYYALJX-JLIMDTESSA-N 1 0 382.287 2.826 20 0 GFADRO COCC[C@H]1C[NH2+]CCN1C(=O)Nc1ccc(Cl)cc1OCC(F)F ZINC000904482362 663835726 /nfs/dbraw/zinc/83/57/26/663835726.db2.gz AXRCMMYLVFZHMC-LBPRGKRZSA-N 1 0 377.819 2.826 20 0 GFADRO [NH3+]Cc1ccccc1NC(=O)N(CCO)Cc1ccc(Br)s1 ZINC000904641740 663839279 /nfs/dbraw/zinc/83/92/79/663839279.db2.gz YYYLHCAHQNMROV-UHFFFAOYSA-N 1 0 384.299 2.996 20 0 GFADRO [NH3+][C@H](Cc1nc(Cc2cncs2)no1)Cc1ccc(Br)cc1 ZINC000904712791 663841785 /nfs/dbraw/zinc/84/17/85/663841785.db2.gz PSACMSSIXKJACA-LBPRGKRZSA-N 1 0 379.283 2.992 20 0 GFADRO C[C@@H]1C[NH2+]C[C@H]1Cc1nc(COc2ccc(I)cc2)no1 ZINC000904709566 663841842 /nfs/dbraw/zinc/84/18/42/663841842.db2.gz UUJLDJPQFUATNH-GHMZBOCLSA-N 1 0 399.232 2.651 20 0 GFADRO Cc1csc([C@@](O)(CC(=O)N[C@@H](C[NH3+])C2CCCCC2)C(F)(F)F)n1 ZINC000904926845 663847812 /nfs/dbraw/zinc/84/78/12/663847812.db2.gz XQGJQLUNJQOXLD-WFASDCNBSA-N 1 0 379.448 2.615 20 0 GFADRO O[C@@H](C[NH2+]Cc1cc(Cl)cc(Cl)c1OC(F)F)C[C@@]1(O)CCOC1 ZINC000905162783 663855672 /nfs/dbraw/zinc/85/56/72/663855672.db2.gz XMRFJUUNMCITQA-ABAIWWIYSA-N 1 0 386.222 2.587 20 0 GFADRO O=C(Nc1ccc(Br)cc1F)N[C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000905287662 663863865 /nfs/dbraw/zinc/86/38/65/663863865.db2.gz FDJAMNNWVQBXMV-GFCCVEGCSA-N 1 0 386.265 2.868 20 0 GFADRO Cc1nc(CNS(=O)(=O)CC2CC[NH2+]CC2)oc1-c1ccc(Cl)cc1 ZINC000905344691 663866421 /nfs/dbraw/zinc/86/64/21/663866421.db2.gz XIWWGGVMGBZEKS-UHFFFAOYSA-N 1 0 383.901 2.722 20 0 GFADRO O[C@H](CC[C@@H](O)c1ccccc1)C[NH2+]C[C@@H](O)c1ccccc1Br ZINC000905368460 663867600 /nfs/dbraw/zinc/86/76/00/663867600.db2.gz RLJFYIJZCATUNI-ATZDWAIDSA-N 1 0 394.309 2.947 20 0 GFADRO O[C@@H](CC[C@H](O)c1ccccc1)C[NH2+]C[C@@H](O)c1cccc(Br)c1 ZINC000905370493 663867909 /nfs/dbraw/zinc/86/79/09/663867909.db2.gz FAZLGUQWMRDRKX-GBESFXJTSA-N 1 0 394.309 2.947 20 0 GFADRO CC(C)(C)OC(=O)N[C@H]1C[C@@H](C[NH2+]C[C@@](C)(O)C(F)(F)C(F)(F)F)C1 ZINC000905407202 663869893 /nfs/dbraw/zinc/86/98/93/663869893.db2.gz AWISSLVYEJIAOC-GBIKHYSHSA-N 1 0 376.366 2.828 20 0 GFADRO O[C@H](C[NH2+]CCc1cc(Cl)cc(Br)c1)COC1CCOCC1 ZINC000905416280 663870534 /nfs/dbraw/zinc/87/05/34/663870534.db2.gz AGACAKLXLWNAOR-OAHLLOKOSA-N 1 0 392.721 2.791 20 0 GFADRO O[C@H](CCC1(O)CCC1)C[NH2+]Cc1ccn(-c2ccc(Br)cc2)n1 ZINC000905477973 663873144 /nfs/dbraw/zinc/87/31/44/663873144.db2.gz FSJUUUMWQMHIGK-QGZVFWFLSA-N 1 0 394.313 2.781 20 0 GFADRO CC(C)OCC[C@H](O)C[NH2+]Cc1ccn(-c2ccc(Br)cc2)n1 ZINC000905480267 663873559 /nfs/dbraw/zinc/87/35/59/663873559.db2.gz XRKPORBCDBOFAN-KRWDZBQOSA-N 1 0 382.302 2.900 20 0 GFADRO CC(C)(C)OC(=O)N1CCC(F)(F)[C@H](C[NH2+]C[C@@H](O)CC(F)(F)F)C1 ZINC000905489620 663873908 /nfs/dbraw/zinc/87/39/08/663873908.db2.gz CGEGBKXQGAOGOP-MNOVXSKESA-N 1 0 376.366 2.782 20 0 GFADRO CN(C)Cc1csc(C[NH2+]C[C@H](O)c2ccc(OC(F)(F)F)cc2)n1 ZINC000905532507 663876828 /nfs/dbraw/zinc/87/68/28/663876828.db2.gz JSWZVUNXYZBXBW-AWEZNQCLSA-N 1 0 375.416 2.927 20 0 GFADRO Cc1ccc(Cl)c(OC[C@@H](O)C[NH2+]Cc2cc(C(F)(F)F)nn2C)c1 ZINC000905570480 663878938 /nfs/dbraw/zinc/87/89/38/663878938.db2.gz XAPNRZMVBUEUFI-LBPRGKRZSA-N 1 0 377.794 2.930 20 0 GFADRO O[C@@H](C[NH2+]Cc1c(Cl)cc(Br)cc1Cl)C[C@]1(O)CCOC1 ZINC000905616942 663881748 /nfs/dbraw/zinc/88/17/48/663881748.db2.gz AYQGSVAWTXHMHM-QMTHXVAHSA-N 1 0 399.112 2.748 20 0 GFADRO O[C@@H](C[NH2+]C[C@]12C[C@H]1COC21CCC1)COc1cccc(Br)c1 ZINC000905684697 663886110 /nfs/dbraw/zinc/88/61/10/663886110.db2.gz AWBVSBMBILMVHL-JLJPHGGASA-N 1 0 382.298 2.738 20 0 GFADRO CC[C@H](c1ccc(Br)cc1)n1cc(CN2CCC([NH3+])CC2)nn1 ZINC000905806844 663893359 /nfs/dbraw/zinc/89/33/59/663893359.db2.gz GWUXUXIUBWXVPN-QGZVFWFLSA-N 1 0 378.318 2.963 20 0 GFADRO CCOC(=O)c1nc(NC(=O)CC[NH2+]C(C)(C)C)sc1Br ZINC000906062903 663917681 /nfs/dbraw/zinc/91/76/81/663917681.db2.gz BLKRKQBEWRVODR-UHFFFAOYSA-N 1 0 378.292 2.799 20 0 GFADRO C[C@H](CNC(=O)c1nscc1I)[N@@H+]1CCC[C@H](C)C1 ZINC000906169671 663930314 /nfs/dbraw/zinc/93/03/14/663930314.db2.gz YUXOVAUVDQXQDH-VHSXEESVSA-N 1 0 393.294 2.598 20 0 GFADRO CC(C)C[NH+]1CCC(NC(=O)c2nscc2I)CC1 ZINC000906429600 663947199 /nfs/dbraw/zinc/94/71/99/663947199.db2.gz KAYVSMKLOKGULZ-UHFFFAOYSA-N 1 0 393.294 2.598 20 0 GFADRO CN1CC[N@H+](C)CC(C(=O)Nc2ccc(Sc3nncs3)c(Cl)c2)C1 ZINC000906554960 663957853 /nfs/dbraw/zinc/95/78/53/663957853.db2.gz SALWQCDFECHQRD-UHFFFAOYSA-N 1 0 397.957 2.775 20 0 GFADRO CC1(C)C[NH2+]C[C@@H]1NC(=O)C(=O)Nc1cccc(Cl)c1SCC(F)F ZINC000906709169 663966213 /nfs/dbraw/zinc/96/62/13/663966213.db2.gz UYXOXBDPUHABEW-NSHDSACASA-N 1 0 391.871 2.750 20 0 GFADRO C[C@@H]1C[C@@H](N(C)C(=O)c2cc(Br)cn(C3CC3)c2=O)CC[N@@H+]1C ZINC000906792129 663971140 /nfs/dbraw/zinc/97/11/40/663971140.db2.gz MSSXYFJZROKIRH-RISCZKNCSA-N 1 0 382.302 2.500 20 0 GFADRO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2cc(Br)cn(C3CC3)c2=O)C1 ZINC000906845993 663976009 /nfs/dbraw/zinc/97/60/09/663976009.db2.gz MOWKHAQRVGKLHU-CYBMUJFWSA-N 1 0 396.329 2.750 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2S(=O)(=O)c1cc2ccccc2s1 ZINC000907065822 663998881 /nfs/dbraw/zinc/99/88/81/663998881.db2.gz MISCLIZDOWRUDW-OAGGEKHMSA-N 1 0 380.535 2.774 20 0 GFADRO CS[C@H]1CN(C(=O)c2c[nH]c(=NC(=O)OC(C)(C)C)s2)C[C@H]1[NH+](C)C ZINC000907147232 664006767 /nfs/dbraw/zinc/00/67/67/664006767.db2.gz SKSFBSDKHSQMIV-PWSUYJOCSA-N 1 0 386.543 2.608 20 0 GFADRO Cc1cc(S(=O)(=O)NC2CC[NH+](C3CCOCC3)CC2)c(Cl)cc1F ZINC000907329495 664023719 /nfs/dbraw/zinc/02/37/19/664023719.db2.gz VUFMEDXQNMRKJJ-UHFFFAOYSA-N 1 0 390.908 2.709 20 0 GFADRO Cc1ccc(C[N@H+]2CC[C@H](CN(C)S(=O)(=O)[C@H]3CCOC[C@@H]3C)C2)s1 ZINC000907346975 664026481 /nfs/dbraw/zinc/02/64/81/664026481.db2.gz QCWYLZUSRDAYMV-LESCRADOSA-N 1 0 386.583 2.565 20 0 GFADRO C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)N1CCC(c2ccccc2Br)CC1 ZINC000907626189 664048971 /nfs/dbraw/zinc/04/89/71/664048971.db2.gz MCBJQLHBMNYLRJ-RDTXWAMCSA-N 1 0 381.314 2.610 20 0 GFADRO C[NH+]1CCC2(CCN2S(=O)(=O)c2cc(Cl)ccc2Br)CC1 ZINC000907855622 664066075 /nfs/dbraw/zinc/06/60/75/664066075.db2.gz NDMGPPOWYKEUBR-UHFFFAOYSA-N 1 0 393.734 2.961 20 0 GFADRO Cc1c(C(=O)N2CC[C@@H]([NH+](C)C)[C@H]2C)nnn1-c1ccccc1Br ZINC000908413450 664104864 /nfs/dbraw/zinc/10/48/64/664104864.db2.gz LGZVXXQTHWBKIY-BXUZGUMPSA-N 1 0 392.301 2.503 20 0 GFADRO CO[C@H](C(=O)Nc1ccnn1CC[NH+](C)C)c1ccc(Br)s1 ZINC000908442458 664106430 /nfs/dbraw/zinc/10/64/30/664106430.db2.gz MKTMZJDEUJOIAI-ZDUSSCGKSA-N 1 0 387.303 2.595 20 0 GFADRO Cc1c(Br)ccc(O)c1NC(=O)CCN1CC[NH+](C(C)C)CC1 ZINC000908526707 664112422 /nfs/dbraw/zinc/11/24/22/664112422.db2.gz MCZRVRBKFFLTJQ-UHFFFAOYSA-N 1 0 384.318 2.818 20 0 GFADRO CC(C)[NH2+]C1(CO)CCN(C(=O)C2(c3ccc(Br)cc3)CC2)CC1 ZINC000908590663 664115767 /nfs/dbraw/zinc/11/57/67/664115767.db2.gz KCWYIZLTXHZFNU-UHFFFAOYSA-N 1 0 395.341 2.832 20 0 GFADRO C/C(=C/c1ccc(Br)o1)C(=O)N1CCC(CO)([NH2+]C(C)C)CC1 ZINC000908613112 664117780 /nfs/dbraw/zinc/11/77/80/664117780.db2.gz UHYZQVBNDMYQLU-RAXLEYEMSA-N 1 0 385.302 2.797 20 0 GFADRO Cc1c(F)c(Br)ccc1C(=O)N1CCC(CO)([NH2+]C(C)C)CC1 ZINC000908613558 664117786 /nfs/dbraw/zinc/11/77/86/664117786.db2.gz QVLISTVBFREAHF-UHFFFAOYSA-N 1 0 387.293 2.862 20 0 GFADRO C[N@@H+]1CCC[C@](O)(CC(=O)Nc2cccc3c(Br)ccnc23)C1 ZINC000909262933 664150549 /nfs/dbraw/zinc/15/05/49/664150549.db2.gz AWDIZLFVYBDUHJ-KRWDZBQOSA-N 1 0 378.270 2.783 20 0 GFADRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)c2cnnn2-c2ccccc2Br)C1 ZINC000909438759 664158462 /nfs/dbraw/zinc/15/84/62/664158462.db2.gz LKDXJWYBFBFAJQ-CYBMUJFWSA-N 1 0 392.301 2.585 20 0 GFADRO C[C@H]1CCCN(C(=O)c2cc3ccc(Br)cc3c(=O)o2)[C@H]1C[NH3+] ZINC000911821459 664257183 /nfs/dbraw/zinc/25/71/83/664257183.db2.gz GUWFYOFORDEWAL-HZMBPMFUSA-N 1 0 379.254 2.755 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)c2cc(Br)c(Br)[nH]2)C1 ZINC000911820787 664257245 /nfs/dbraw/zinc/25/72/45/664257245.db2.gz HLCBMJLOPGIALW-HTQZYQBOSA-N 1 0 379.096 2.739 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)c2cc(Br)c(Br)[nH]2)C1 ZINC000911820789 664257258 /nfs/dbraw/zinc/25/72/58/664257258.db2.gz HLCBMJLOPGIALW-SFYZADRCSA-N 1 0 379.096 2.739 20 0 GFADRO CC(C)[C@](C)(C[NH3+])NC(=O)c1cc(Br)cnc1Br ZINC000911835067 664258001 /nfs/dbraw/zinc/25/80/01/664258001.db2.gz YEEVAAZYODKDQH-LBPRGKRZSA-N 1 0 379.096 2.710 20 0 GFADRO CC(C)[C@@](C)(C[NH3+])NC(=O)c1cc(Br)cnc1Br ZINC000911835066 664258099 /nfs/dbraw/zinc/25/80/99/664258099.db2.gz YEEVAAZYODKDQH-GFCCVEGCSA-N 1 0 379.096 2.710 20 0 GFADRO COc1ccc(Br)cc1[C@H](N)C(=O)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000911855080 664259038 /nfs/dbraw/zinc/25/90/38/664259038.db2.gz HBHSKXWBVPPCKD-DIFFPNOSSA-N 1 0 392.297 2.794 20 0 GFADRO C[C@@H]([NH3+])c1ccc(CNC(=O)c2cc(Br)cn(C3CC3)c2=O)cc1 ZINC000911857928 664259331 /nfs/dbraw/zinc/25/93/31/664259331.db2.gz XQGGETDKYUZOFJ-LLVKDONJSA-N 1 0 390.281 2.895 20 0 GFADRO C[NH2+]C[C@H]1CCCN1C(=O)c1cnn(Cc2ccccc2)c1Br ZINC000911866694 664259990 /nfs/dbraw/zinc/25/99/90/664259990.db2.gz BKKXHBPJUGOAMK-CQSZACIVSA-N 1 0 377.286 2.518 20 0 GFADRO C[C@@H](CNc1ccc(-c2nnc(Br)o2)cc1)C[NH+]1CCOCC1 ZINC000911929563 664262253 /nfs/dbraw/zinc/26/22/53/664262253.db2.gz XUKMJFGAIVRBHP-LBPRGKRZSA-N 1 0 381.274 2.879 20 0 GFADRO C[NH+]1CCC(N(CCO)C(=O)c2cc(F)c(Br)cc2Cl)CC1 ZINC000911943432 664263236 /nfs/dbraw/zinc/26/32/36/664263236.db2.gz NIBBPDKIKFGTGG-UHFFFAOYSA-N 1 0 393.684 2.770 20 0 GFADRO CC(C)C[C@](C)(C[NH3+])C(=O)N(C)CC(=O)Nc1ccccc1Br ZINC000912029849 664267116 /nfs/dbraw/zinc/26/71/16/664267116.db2.gz QOTHVLPZJIOWHV-QGZVFWFLSA-N 1 0 384.318 2.857 20 0 GFADRO CCCOc1ccccc1NC(=O)c1cc(Br)cn(CC[NH3+])c1=O ZINC000912030492 664267507 /nfs/dbraw/zinc/26/75/07/664267507.db2.gz WRMPQWFVGMPEPG-UHFFFAOYSA-N 1 0 394.269 2.611 20 0 GFADRO COc1c(Br)cc(Cl)cc1NC(=O)c1ccn(CCC[NH3+])n1 ZINC000912187986 664275082 /nfs/dbraw/zinc/27/50/82/664275082.db2.gz GTMSNLCOXAVVLT-UHFFFAOYSA-N 1 0 387.665 2.909 20 0 GFADRO C[C@@H]1C[NH2+]C[C@H]1CC(=O)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000912288200 664279843 /nfs/dbraw/zinc/27/98/43/664279843.db2.gz ASEKHLPMBODOAF-CHWSQXEVSA-N 1 0 384.307 2.523 20 0 GFADRO O=C(NC1CC[NH+](C2CCOCC2)CC1)[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC000912347373 664282959 /nfs/dbraw/zinc/28/29/59/664282959.db2.gz RQRKDYMTLMPRJS-QGZVFWFLSA-N 1 0 387.307 2.786 20 0 GFADRO CCN(C(=O)c1cc(Br)cn(C2CC2)c1=O)[C@@H]1CC[N@H+](CC)C1 ZINC000912397678 664284896 /nfs/dbraw/zinc/28/48/96/664284896.db2.gz DFJDPGXHCYDALG-CQSZACIVSA-N 1 0 382.302 2.502 20 0 GFADRO CCOc1cc(C)ccc1NC(=O)c1cc(Br)cn(CC[NH3+])c1=O ZINC000912458324 664287552 /nfs/dbraw/zinc/28/75/52/664287552.db2.gz GLOJSMSXAQRTPS-UHFFFAOYSA-N 1 0 394.269 2.529 20 0 GFADRO CN(CC[N@H+](C)CCO)C(=O)c1cnc(-c2ccccc2Br)s1 ZINC000912612471 664294651 /nfs/dbraw/zinc/29/46/51/664294651.db2.gz PRDGDVVWQPNZGS-UHFFFAOYSA-N 1 0 398.326 2.569 20 0 GFADRO C[C@@H](C[NH+](C)C)[C@H]1CCCCN1C(=O)c1c(Br)nc2n1CCC2 ZINC000912807061 664303080 /nfs/dbraw/zinc/30/30/80/664303080.db2.gz XXBHQLQWZXLYSV-QWHCGFSZSA-N 1 0 383.334 2.784 20 0 GFADRO C[C@@H](C[NH+](C)C)[C@@H]1CCCCN1C(=O)c1cc2ncc(Br)cn2n1 ZINC000912801254 664303084 /nfs/dbraw/zinc/30/30/84/664303084.db2.gz JIPOTRNFRNWLEN-WFASDCNBSA-N 1 0 394.317 2.684 20 0 GFADRO C[C@@H](C[NH+](C)C)[C@@H]1CCCCN1C(=O)c1cnn2cc(Br)cnc12 ZINC000912810064 664303343 /nfs/dbraw/zinc/30/33/43/664303343.db2.gz ONFMUSHMJXXMTI-WFASDCNBSA-N 1 0 394.317 2.684 20 0 GFADRO C[NH+](C)CCn1ccc(C(=O)N2CC(Cc3cccc(Br)c3)C2)n1 ZINC000913094554 664322890 /nfs/dbraw/zinc/32/28/90/664322890.db2.gz LPPYZXZJWAEOAB-UHFFFAOYSA-N 1 0 391.313 2.522 20 0 GFADRO C[NH+]1C[C@@]2(C)CN(C(=O)c3cccn4ncc(Br)c34)C[C@]2(C)C1 ZINC000913275068 664330682 /nfs/dbraw/zinc/33/06/82/664330682.db2.gz RZQJITHWRIJVFH-IRXDYDNUSA-N 1 0 377.286 2.511 20 0 GFADRO Cc1nc2ccc(Br)cn2c1C(=O)N1C[C@]2(C)C[N@@H+](C)C[C@]2(C)C1 ZINC000913278256 664331003 /nfs/dbraw/zinc/33/10/03/664331003.db2.gz CYTVVQMTKKGNEJ-HDICACEKSA-N 1 0 391.313 2.819 20 0 GFADRO C[NH+](C)C1(C)CCN(C(=O)c2cc(Br)cc3c2OCCO3)CC1 ZINC000913391093 664334706 /nfs/dbraw/zinc/33/47/06/664334706.db2.gz CDOVLKNKHJJFGZ-UHFFFAOYSA-N 1 0 383.286 2.777 20 0 GFADRO O=C(CCc1ccccc1Br)N1CC[NH+](CCCCCO)CC1 ZINC000913690684 664350632 /nfs/dbraw/zinc/35/06/32/664350632.db2.gz RSQPTTALVSAQNN-UHFFFAOYSA-N 1 0 383.330 2.689 20 0 GFADRO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)c1cnnn1-c1cc(Cl)ccc1Cl ZINC000913816063 664359987 /nfs/dbraw/zinc/35/99/87/664359987.db2.gz YPUGXYNLWMBCFO-KBPBESRZSA-N 1 0 380.279 2.883 20 0 GFADRO CC[NH+](CC)CCCNC(=O)NC1(c2ncc(Br)cn2)CCC1 ZINC000913852663 664361430 /nfs/dbraw/zinc/36/14/30/664361430.db2.gz XXMLSEZPJRATPF-UHFFFAOYSA-N 1 0 384.322 2.649 20 0 GFADRO C[NH+](C)C1(CNC(=O)N2CCC[C@H]2c2ncc(Br)cn2)CCCC1 ZINC000913874071 664362820 /nfs/dbraw/zinc/36/28/20/664362820.db2.gz BVIDSNIFEOFKQA-AWEZNQCLSA-N 1 0 396.333 2.960 20 0 GFADRO O=C(NCCSc1ccc(Cl)cc1)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000913925834 664365900 /nfs/dbraw/zinc/36/59/00/664365900.db2.gz KPJGIAYPUVJXLD-INIZCTEOSA-N 1 0 383.945 2.985 20 0 GFADRO O=S(=O)(Cc1ccsc1Br)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000913926681 664366124 /nfs/dbraw/zinc/36/61/24/664366124.db2.gz JWQAFFPGTYJLFR-NEPJUHHUSA-N 1 0 379.345 2.557 20 0 GFADRO O=C(NC1CC[NH+](C2CC2)CC1)N1CCC[C@H]1c1ncc(Br)cn1 ZINC000913981429 664370264 /nfs/dbraw/zinc/37/02/64/664370264.db2.gz LHXGAOYRKPUOMD-HNNXBMFYSA-N 1 0 394.317 2.712 20 0 GFADRO CS[C@H]1CN(S(=O)(=O)c2cscc2C(F)F)C[C@@H]1[NH+]1CCCC1 ZINC000914391079 664405813 /nfs/dbraw/zinc/40/58/13/664405813.db2.gz QFWOVLRDKBAHIJ-RYUDHWBXSA-N 1 0 382.523 2.886 20 0 GFADRO O=C(/C=C/c1ccc(Br)o1)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000914688198 664413928 /nfs/dbraw/zinc/41/39/28/664413928.db2.gz JGUBUWHZKIGXBY-KEDPEKRHSA-N 1 0 383.286 2.769 20 0 GFADRO COc1cc(Br)cc(CNC(=O)NC[C@@H]2CC[N@@H+](C(C)C)C2)c1 ZINC000915137699 664421831 /nfs/dbraw/zinc/42/18/31/664421831.db2.gz ZTWSHQILRDKRRL-ZDUSSCGKSA-N 1 0 384.318 2.987 20 0 GFADRO O=C(NCc1cnc(Br)cn1)NC1CC[NH+](CC2CCCC2)CC1 ZINC000915225614 664424586 /nfs/dbraw/zinc/42/45/86/664424586.db2.gz OHPQDIRVVIXTKQ-UHFFFAOYSA-N 1 0 396.333 2.693 20 0 GFADRO O=C(NCc1cccc(Br)c1)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000915243484 664424950 /nfs/dbraw/zinc/42/49/50/664424950.db2.gz JERMCCHVGFPHAR-INIZCTEOSA-N 1 0 382.302 2.502 20 0 GFADRO O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)c1cc(Br)ccc1F ZINC000915626571 664435970 /nfs/dbraw/zinc/43/59/70/664435970.db2.gz OTQVDAWILABDBP-AWEZNQCLSA-N 1 0 385.277 2.961 20 0 GFADRO O[C@H](C[NH2+][C@@H]1CCCN(c2ncccn2)C1)c1cccc(Br)c1 ZINC000917009668 664475225 /nfs/dbraw/zinc/47/52/25/664475225.db2.gz HXFMERUQEBVQDX-HZPDHXFCSA-N 1 0 377.286 2.531 20 0 GFADRO O[C@@H](C[NH2+][C@H]1CCCN(c2ncccn2)C1)c1cccc(Br)c1 ZINC000917009666 664475243 /nfs/dbraw/zinc/47/52/43/664475243.db2.gz HXFMERUQEBVQDX-HOTGVXAUSA-N 1 0 377.286 2.531 20 0 GFADRO COCC[N@H+](C)CCCNC(=O)[C@@H]1CC(c2ccc(Cl)cc2Cl)=NO1 ZINC000917668849 664488410 /nfs/dbraw/zinc/48/84/10/664488410.db2.gz IGXVTOUFXCZCJI-INIZCTEOSA-N 1 0 388.295 2.571 20 0 GFADRO CN1CCN(c2cc[nH+]cc2NC(=O)/C=C\c2ccc(Br)o2)CC1 ZINC000919860791 664518836 /nfs/dbraw/zinc/51/88/36/664518836.db2.gz IDEMSWUHWWTHDR-HYXAFXHYSA-N 1 0 391.269 2.841 20 0 GFADRO O=C(NCCc1nc(C(F)(F)F)cs1)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000920936372 664534443 /nfs/dbraw/zinc/53/44/43/664534443.db2.gz HVYCYASEHJRNED-GHMZBOCLSA-N 1 0 394.488 2.583 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)N2CCC[C@H]2c2ncc(Br)cn2)C1 ZINC000921331149 664541823 /nfs/dbraw/zinc/54/18/23/664541823.db2.gz XSXOUDSOCYZRGG-KFWWJZLASA-N 1 0 396.333 2.958 20 0 GFADRO C[NH+](C)CC[C@@H](NS(=O)(=O)CC[C@@H]1CC1(Cl)Cl)c1cccnc1 ZINC000921479500 664550027 /nfs/dbraw/zinc/55/00/27/664550027.db2.gz KZMQBTDGPPSCMU-ZIAGYGMSSA-N 1 0 380.341 2.578 20 0 GFADRO C[NH+](C)CC[C@H](NS(=O)(=O)C[C@H]1CCCC(F)(F)C1)c1cccnc1 ZINC000921479166 664550030 /nfs/dbraw/zinc/55/00/30/664550030.db2.gz CKWZDCLQHUMSQM-HOCLYGCPSA-N 1 0 375.485 2.819 20 0 GFADRO CCn1c(C[NH2+][C@@H]2CCC[C@H](O)C2)nc(Br)c1Br ZINC000921587151 664556075 /nfs/dbraw/zinc/55/60/75/664556075.db2.gz QKJWQFUKVRKABM-BDAKNGLRSA-N 1 0 381.112 2.821 20 0 GFADRO Cn1nc2c(c1C[NH2+]Cc1cc(Br)c3c(c1)OCCO3)CCC2 ZINC000921612900 664557693 /nfs/dbraw/zinc/55/76/93/664557693.db2.gz YRFYBWHEROCNOP-UHFFFAOYSA-N 1 0 378.270 2.732 20 0 GFADRO CCn1c(CNC(C)(C)C[NH+](C)C)nc(Br)c1Br ZINC000922172068 664588657 /nfs/dbraw/zinc/58/86/57/664588657.db2.gz PTCTZNCPLVCWNK-UHFFFAOYSA-N 1 0 382.144 2.858 20 0 GFADRO Cc1nc(C[NH2+]C2CCN(S(=O)(=O)C(C)C)CC2)sc1Br ZINC000921796347 664569202 /nfs/dbraw/zinc/56/92/02/664569202.db2.gz IDTBPEDFYIDFCU-UHFFFAOYSA-N 1 0 396.376 2.506 20 0 GFADRO CCn1c(Br)c(Br)nc1CNCC[N@@H+]1CC[C@@H](C)C1 ZINC000921806583 664570047 /nfs/dbraw/zinc/57/00/47/664570047.db2.gz QAWPOIYATZDMNE-SNVBAGLBSA-N 1 0 394.155 2.859 20 0 GFADRO OCC1CC[NH+](Cc2cccc(NCc3nc(Br)c[nH]3)c2)CC1 ZINC000921824471 664570783 /nfs/dbraw/zinc/57/07/83/664570783.db2.gz HAAWTUPLAXPOKS-UHFFFAOYSA-N 1 0 379.302 2.989 20 0 GFADRO O=S(=O)(Cc1ccc(Cl)c(Cl)c1)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000921911096 664576043 /nfs/dbraw/zinc/57/60/43/664576043.db2.gz FQXUWRLCWVZWRL-AWEZNQCLSA-N 1 0 393.336 2.666 20 0 GFADRO Cn1nc2c(c1C[NH2+]C(C)(C)COc1ncccc1Br)COCC2 ZINC000921915650 664576157 /nfs/dbraw/zinc/57/61/57/664576157.db2.gz WRGROVYEZUCNNO-UHFFFAOYSA-N 1 0 395.301 2.598 20 0 GFADRO CCn1c(C[NH2+]CCC2CC(O)C2)nc(Br)c1Br ZINC000922065067 664583552 /nfs/dbraw/zinc/58/35/52/664583552.db2.gz UICZNBDBVCEWLT-UHFFFAOYSA-N 1 0 381.112 2.679 20 0 GFADRO CCn1c(CNC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2C)nc2cc(Br)ccc21 ZINC000922181289 664589136 /nfs/dbraw/zinc/58/91/36/664589136.db2.gz PHBTVJDJZLKNJY-DGCLKSJQSA-N 1 0 394.317 2.711 20 0 GFADRO CN1C(=O)N=NC1C[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(Br)cn1 ZINC000922405399 664599886 /nfs/dbraw/zinc/59/98/86/664599886.db2.gz AGOUFVHNZPLZLF-FZMZJTMJSA-N 1 0 380.290 2.569 20 0 GFADRO C[C@@H](NC(=O)NCc1cnc(Br)cn1)[C@H](c1ccccc1)[NH+](C)C ZINC000922413824 664600531 /nfs/dbraw/zinc/60/05/31/664600531.db2.gz JVAUBAFYFKJQFO-MLGOLLRUSA-N 1 0 392.301 2.730 20 0 GFADRO CN(C)S(=O)(=O)Cc1ccc(C[NH2+]Cc2ccc(Br)cn2)cc1 ZINC000922451635 664602137 /nfs/dbraw/zinc/60/21/37/664602137.db2.gz HIQIRRWEZIXHLQ-UHFFFAOYSA-N 1 0 398.326 2.525 20 0 GFADRO Cc1cc(C[NH2+]CC[C@@H]2CC(=O)N(C)C2)c(C)cc1I ZINC000922484091 664603521 /nfs/dbraw/zinc/60/35/21/664603521.db2.gz HBVDGMWTUBDATP-CYBMUJFWSA-N 1 0 386.277 2.866 20 0 GFADRO CN(C)c1cc[nH+]c(CNCc2cc(Br)c3c(c2)OCCO3)c1 ZINC000922478328 664603536 /nfs/dbraw/zinc/60/35/36/664603536.db2.gz LQQFCSQHZRTADN-UHFFFAOYSA-N 1 0 378.270 2.971 20 0 GFADRO Cn1nccc1[C@@H]1[C@@H]([NH2+]Cc2ccc(Br)o2)CCC(=O)N1C1CC1 ZINC000922520197 664605368 /nfs/dbraw/zinc/60/53/68/664605368.db2.gz AMNAPPZTLADFKA-GUYCJALGSA-N 1 0 393.285 2.760 20 0 GFADRO OC1(C2(C[NH2+]Cc3cnc4ccc(Br)cn34)CC2)CCOCC1 ZINC000922596269 664607914 /nfs/dbraw/zinc/60/79/14/664607914.db2.gz IBLGDNJKTKLNAV-UHFFFAOYSA-N 1 0 380.286 2.508 20 0 GFADRO CS(=O)(=O)c1ccccc1CC[NH2+]Cc1ncc(Br)cc1F ZINC000922683412 664610610 /nfs/dbraw/zinc/61/06/10/664610610.db2.gz UWGANBMDKDEBSE-UHFFFAOYSA-N 1 0 387.274 2.719 20 0 GFADRO Cc1c(Br)cncc1C[NH2+]CCc1ccccc1S(C)(=O)=O ZINC000922681015 664610621 /nfs/dbraw/zinc/61/06/21/664610621.db2.gz KAKDMGVLOACUEN-UHFFFAOYSA-N 1 0 383.311 2.888 20 0 GFADRO NS(=O)(=O)c1cc(C[NH2+]C[C@@H]2CCC[C@H](C(F)(F)F)O2)ccc1Cl ZINC000922694565 664611033 /nfs/dbraw/zinc/61/10/33/664611033.db2.gz DEOONVMHJGSARU-GXFFZTMASA-N 1 0 386.823 2.577 20 0 GFADRO CCOc1cc(C[NH2+]C[C@@H]2C[C@@H]3COC[C@@H]3O2)cc(Br)c1OC ZINC000922727614 664612249 /nfs/dbraw/zinc/61/22/49/664612249.db2.gz DBJUCQWHKKCXAU-WWGRRREGSA-N 1 0 386.286 2.750 20 0 GFADRO CN(C)[C@@H](CC[NH2+]Cc1ncc(I)s1)C(F)(F)F ZINC000922753848 664613479 /nfs/dbraw/zinc/61/34/79/664613479.db2.gz DQVWMFDTWALIOQ-ZETCQYMHSA-N 1 0 393.216 2.720 20 0 GFADRO Brc1ccc(-n2cc(C[NH2+]CC3CC4(C3)OCCO4)cn2)cc1 ZINC000922799494 664614663 /nfs/dbraw/zinc/61/46/63/664614663.db2.gz QRWMYWVLNYRSGW-UHFFFAOYSA-N 1 0 378.270 2.878 20 0 GFADRO Brc1ccc2oc(CNC[C@H]3CC[N@@H+]3C3CCOCC3)nc2c1 ZINC000922953033 664619835 /nfs/dbraw/zinc/61/98/35/664619835.db2.gz NYXVKPAVEXNVRU-CQSZACIVSA-N 1 0 380.286 2.933 20 0 GFADRO Cn1nnc2c1C[C@@H]([NH2+]Cc1cc(Br)ccc1OC(F)F)CC2 ZINC000922996794 664620647 /nfs/dbraw/zinc/62/06/47/664620647.db2.gz QHKLESCIOKKQBE-NSHDSACASA-N 1 0 387.228 2.826 20 0 GFADRO O[C@@H]1C[C@H]([NH2+]Cc2cn(-c3cccc(Cl)c3Cl)nn2)C12CCOCC2 ZINC000923021614 664621293 /nfs/dbraw/zinc/62/12/93/664621293.db2.gz SVWBPEUKDLNIOD-LSDHHAIUSA-N 1 0 383.279 2.594 20 0 GFADRO CCC[N@@H+]1CCC[C@H](C(=O)Nc2cc(Br)cc3c2NC(=O)CO3)C1 ZINC000923024138 664621551 /nfs/dbraw/zinc/62/15/51/664621551.db2.gz GFTHHXDRUXDZAL-NSHDSACASA-N 1 0 396.285 2.841 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)N2CCC[C@H]2c2ncc(Br)cn2)C1 ZINC000923190276 664623981 /nfs/dbraw/zinc/62/39/81/664623981.db2.gz MUDZLAYGPPVISV-KGLIPLIRSA-N 1 0 396.333 2.958 20 0 GFADRO Fc1cc([C@@H]2CN(C[C@H]3CC4(C[NH2+]C4)CO3)CCO2)c(Cl)cc1Cl ZINC000923311796 664627989 /nfs/dbraw/zinc/62/79/89/664627989.db2.gz XCCWKHDLMINXSP-BZNIZROVSA-N 1 0 375.271 2.884 20 0 GFADRO C[C@@H]1C[NH2+]C[C@H](C)N1C[C@H](O)COc1ccc(Cl)cc1Br ZINC000923332179 664628448 /nfs/dbraw/zinc/62/84/48/664628448.db2.gz ICTZGPPRUCJVBI-LOWVWBTDSA-N 1 0 377.710 2.524 20 0 GFADRO CCN(CCC(N)=O)C(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000923449020 664630733 /nfs/dbraw/zinc/63/07/33/664630733.db2.gz JPNJWYCHNXROMN-CQSZACIVSA-N 1 0 375.300 2.503 20 0 GFADRO C[NH+](C)CCN(CC1CCCCC1)C(=O)NCc1cnc(Br)cn1 ZINC000923530313 664632790 /nfs/dbraw/zinc/63/27/90/664632790.db2.gz HXCJOIHIJYKTGN-UHFFFAOYSA-N 1 0 398.349 2.893 20 0 GFADRO O=S(=O)(c1cscc1C(F)F)N1CCC(n2ncc3c2C[NH2+]C3)CC1 ZINC000923651640 664635142 /nfs/dbraw/zinc/63/51/42/664635142.db2.gz WSFKVAZWGXVRCW-UHFFFAOYSA-N 1 0 388.465 2.511 20 0 GFADRO [NH3+]C[C@H]1CN(S(=O)(=O)c2cnc(-c3ccccc3)s2)C[C@H]1C(F)(F)F ZINC000923673037 664635323 /nfs/dbraw/zinc/63/53/23/664635323.db2.gz YYDVWUBJLJJVJW-NWDGAFQWSA-N 1 0 391.440 2.568 20 0 GFADRO Cc1cccc2cc(S(=O)(=O)N3CCC4(CO[C@@H](C[NH3+])C4)CC3)sc21 ZINC000923687001 664635768 /nfs/dbraw/zinc/63/57/68/664635768.db2.gz BRPJNKQFJXGEKL-OAHLLOKOSA-N 1 0 380.535 2.728 20 0 GFADRO [NH3+]CC[C@@H]1Cc2ccccc2N(S(=O)(=O)c2cncc(Br)c2)C1 ZINC000923744974 664637572 /nfs/dbraw/zinc/63/75/72/664637572.db2.gz KORHYOCSSYHOBI-GFCCVEGCSA-N 1 0 396.310 2.561 20 0 GFADRO C[NH+]1CCC(OCc2nc(-c3c[nH]c4ncc(Br)cc34)no2)CC1 ZINC000924097930 664647169 /nfs/dbraw/zinc/64/71/69/664647169.db2.gz IOOOMQWYYUQAPL-UHFFFAOYSA-N 1 0 392.257 2.986 20 0 GFADRO Cc1[nH+]cc2n1C[C@H](c1nc(-c3cc(N)ncc3Br)no1)CC2 ZINC000924163714 664649352 /nfs/dbraw/zinc/64/93/52/664649352.db2.gz MVDFBXASVMSVDK-SECBINFHSA-N 1 0 375.230 2.711 20 0 GFADRO C[N@@H+]1CC[C@H](c2nc(-c3cnn(-c4cccc(Br)c4)c3N)no2)C1 ZINC000924378323 664654419 /nfs/dbraw/zinc/65/44/19/664654419.db2.gz UNJHQMJGLUHCIO-JTQLQIEISA-N 1 0 389.257 2.686 20 0 GFADRO C[NH+](C)CCN(Cc1ccsc1)C(=O)NC[C@H]1CC[C@@H](C(F)(F)F)O1 ZINC000924520704 664656810 /nfs/dbraw/zinc/65/68/10/664656810.db2.gz UJYOUXHGFVJIFL-KGLIPLIRSA-N 1 0 379.448 2.931 20 0 GFADRO CCC1([NH+]2CCCC2)CCN(C(=O)NCc2cn(C)nc2Br)CC1 ZINC000924561063 664657901 /nfs/dbraw/zinc/65/79/01/664657901.db2.gz HBPLQRFCQUCDEN-UHFFFAOYSA-N 1 0 398.349 2.733 20 0 GFADRO CN(C)c1cc[nH+]c(CNC(=O)NC[C@@H](O)c2ccc(Cl)cc2Cl)c1 ZINC000924654177 664659231 /nfs/dbraw/zinc/65/92/31/664659231.db2.gz GCYYQPWPAKTQKH-MRXNPFEDSA-N 1 0 383.279 2.987 20 0 GFADRO C[C@H]([NH2+]CCNS(=O)(=O)c1cccc(Cl)c1)c1ccnn1C1CCC1 ZINC000924831580 664662460 /nfs/dbraw/zinc/66/24/60/664662460.db2.gz HCAZDACJDMAIGC-ZDUSSCGKSA-N 1 0 382.917 2.891 20 0 GFADRO CN(Cc1nc(C(F)(F)F)cs1)C(=O)N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000925153163 664667483 /nfs/dbraw/zinc/66/74/83/664667483.db2.gz KFCRCVDKSHNSSV-WDEREUQCSA-N 1 0 394.488 2.883 20 0 GFADRO CN(C(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12)[C@@H](CO)c1ccc(Cl)cc1 ZINC000925175369 664668000 /nfs/dbraw/zinc/66/80/00/664668000.db2.gz VJXRLORVQLVRNU-IKGGRYGDSA-N 1 0 383.945 2.595 20 0 GFADRO C[C@H]([NH2+]C1CCN(S(=O)(=O)C(F)(F)F)CC1)c1ccnn1C1CCC1 ZINC000925267024 664669643 /nfs/dbraw/zinc/66/96/43/664669643.db2.gz TVXPJDSHXXODFW-NSHDSACASA-N 1 0 380.436 2.573 20 0 GFADRO CN(C[C@H]1CC[N@H+](C)C1)C(=O)N[C@@H]1CCOc2ccc(Br)cc21 ZINC000925288929 664669938 /nfs/dbraw/zinc/66/99/38/664669938.db2.gz DLHLILHCCZBQTR-SWLSCSKDSA-N 1 0 382.302 2.866 20 0 GFADRO C[C@@H]([NH2+][C@@H](C)C1CCN(S(C)(=O)=O)CC1)[C@H](O)c1c(F)cccc1Cl ZINC000925485637 664672645 /nfs/dbraw/zinc/67/26/45/664672645.db2.gz OQFWUCFJMCDSSE-JKDFXYPNSA-N 1 0 392.924 2.551 20 0 GFADRO CCN(CC)S(=O)(=O)c1ccc(CCN[C@@H]2CC[NH2+]C23CCCC3)s1 ZINC000925490461 664672668 /nfs/dbraw/zinc/67/26/68/664672668.db2.gz NSXDVRDSYIESOC-MRXNPFEDSA-N 1 0 385.599 2.585 20 0 GFADRO Cc1cc(S(=O)(=O)NCC[NH2+][C@@H](C)c2ccnn2C2CCC2)c(C)s1 ZINC000925578446 664673309 /nfs/dbraw/zinc/67/33/09/664673309.db2.gz DKDJLTKDIDJUFI-ZDUSSCGKSA-N 1 0 382.555 2.916 20 0 GFADRO CS(=O)(=O)N1CC[C@@H](C[NH2+][C@H](c2ccc(Cl)cc2)c2ccccn2)C1 ZINC000925622393 664673532 /nfs/dbraw/zinc/67/35/32/664673532.db2.gz LCGQTZQDRVNSIF-KBXCAEBGSA-N 1 0 379.913 2.696 20 0 GFADRO C[C@H]([NH2+]CC[C@H]1CNCCS1(=O)=O)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000925791000 664674650 /nfs/dbraw/zinc/67/46/50/664674650.db2.gz DNCXNDPQKXWNIJ-OBJOEFQTSA-N 1 0 395.352 2.516 20 0 GFADRO O=S1(=O)CCNC[C@H]1CC[NH2+][C@H]1CCCOc2c(Cl)c(Cl)ccc21 ZINC000925794796 664674912 /nfs/dbraw/zinc/67/49/12/664674912.db2.gz MOYAQYJPTPTFDN-RISCZKNCSA-N 1 0 393.336 2.573 20 0 GFADRO COC(=O)c1ccc(NC(=O)N2CC[C@H](C(F)(F)F)[C@@H]([NH3+])C2)cc1Cl ZINC000926035013 664679593 /nfs/dbraw/zinc/67/95/93/664679593.db2.gz AZUYEJZXMVTWKF-JQWIXIFHSA-N 1 0 379.766 2.870 20 0 GFADRO COc1ccc(NC(=O)N2CCC3(CO[C@H](C[NH3+])C3)CC2)cc1Br ZINC000926038504 664679639 /nfs/dbraw/zinc/67/96/39/664679639.db2.gz UPTKXXQESMZOAO-ZDUSSCGKSA-N 1 0 398.301 2.819 20 0 GFADRO COC(=O)c1cc(NC(=O)N2CC[C@H](CC[NH3+])C2)c(Br)cc1F ZINC000926045188 664679775 /nfs/dbraw/zinc/67/97/75/664679775.db2.gz JHWDIMZFIRYBPY-VIFPVBQESA-N 1 0 388.237 2.577 20 0 GFADRO Cc1ccc(NC(=O)N2CC[C@H](C(F)(F)F)[C@@H]([NH3+])C2)c(Br)n1 ZINC000926078096 664681018 /nfs/dbraw/zinc/68/10/18/664681018.db2.gz NZVWGRZRFJPPDT-IUCAKERBSA-N 1 0 381.196 2.896 20 0 GFADRO [NH3+]CC[C@H]1CCN(C(=O)Nc2ccnn2Cc2ccccc2Br)C1 ZINC000926098711 664681577 /nfs/dbraw/zinc/68/15/77/664681577.db2.gz AEMXECVFWIZCJY-ZDUSSCGKSA-N 1 0 392.301 2.897 20 0 GFADRO COC(=O)c1c(C)c(NC(=O)N2CC[C@@H](C[NH3+])[C@H](C)C2)ccc1Br ZINC000926105070 664681844 /nfs/dbraw/zinc/68/18/44/664681844.db2.gz VBUBNLBIMLQOIS-PWSUYJOCSA-N 1 0 398.301 2.993 20 0 GFADRO [NH3+]C1CCN(CCNC(=O)Nc2cccc3c(Br)ccnc23)CC1 ZINC000926136845 664682611 /nfs/dbraw/zinc/68/26/11/664682611.db2.gz OFQWCEAJZNMJMY-UHFFFAOYSA-N 1 0 392.301 2.542 20 0 GFADRO CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)c1snc(Cl)c1Cl)C2 ZINC000926156873 664683254 /nfs/dbraw/zinc/68/32/54/664683254.db2.gz SGQUXTXAPQGKJB-VGKCBKCPSA-N 1 0 378.325 2.659 20 0 GFADRO Cc1ccc(Br)cc1C(=O)N[C@@H]1C[C@]2(C[N@@H+](C)[C@@H]2C(C)C)C[C@H]1O ZINC000926167111 664683653 /nfs/dbraw/zinc/68/36/53/664683653.db2.gz AJMWFAAGIDAHBS-YWTNHNAXSA-N 1 0 395.341 2.967 20 0 GFADRO [NH3+][C@]1(CO)CCCN(C(=O)Nc2cc(Cl)c(Br)cc2F)C1 ZINC000926181851 664684157 /nfs/dbraw/zinc/68/41/57/664684157.db2.gz WYXRYAOHYPLVJK-CYBMUJFWSA-N 1 0 380.645 2.559 20 0 GFADRO CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NC(=O)c1ccccc1Br)C2 ZINC000926192513 664684686 /nfs/dbraw/zinc/68/46/86/664684686.db2.gz JEMDKFDASCYXLQ-YFHUEUNASA-N 1 0 381.314 2.659 20 0 GFADRO Cc1c(C)c(NC(=O)N2C[C@@H](C[NH3+])[C@H](C)C2)ccc1I ZINC000926203978 664684802 /nfs/dbraw/zinc/68/48/02/664684802.db2.gz UMTYFCUFBUWHPV-BXKDBHETSA-N 1 0 387.265 2.967 20 0 GFADRO Cc1c(NC(=O)N(CC[NH3+])CCO)cc(Br)cc1C(F)(F)F ZINC000926223766 664684919 /nfs/dbraw/zinc/68/49/19/664684919.db2.gz LHQVVAIUEWIKJP-UHFFFAOYSA-N 1 0 384.196 2.561 20 0 GFADRO C[C@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)C(=O)N1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000926301859 664687443 /nfs/dbraw/zinc/68/74/43/664687443.db2.gz BGFODZVOAJCFEO-BZPMIXESSA-N 1 0 386.323 2.956 20 0 GFADRO C[C@H](C[C@H]1CCC(=O)N1)[NH2+][C@H](C)c1ccc(Br)cc1OCCCO ZINC000926467052 664690190 /nfs/dbraw/zinc/69/01/90/664690190.db2.gz LRBSXLHQYPNLJV-UMVBOHGHSA-N 1 0 399.329 2.918 20 0 GFADRO COc1ccc(C[C@@H](CO)C[NH2+][C@@H](C)c2ccnnc2)cc1Br ZINC000926543108 664691959 /nfs/dbraw/zinc/69/19/59/664691959.db2.gz VJOOVWKXPASVGI-GXTWGEPZSA-N 1 0 380.286 2.750 20 0 GFADRO CNC(=O)[C@@H](C[NH2+][C@H](C)C1(Br)CC1)Cc1ccc(OC)c(F)c1 ZINC000926629413 664694131 /nfs/dbraw/zinc/69/41/31/664694131.db2.gz XCMRPBBNRMBQNC-DGCLKSJQSA-N 1 0 387.293 2.645 20 0 GFADRO O=S1(=O)CC[C@@H]([NH2+]C[C@@H]2C=C[C@H]3C[C@@H]2CO3)c2cc(Br)ccc21 ZINC000926938838 664699245 /nfs/dbraw/zinc/69/92/45/664699245.db2.gz YBNYEZMCIQTCGD-CQJJVWNLSA-N 1 0 398.322 2.848 20 0 GFADRO C[C@H](C(=O)N(C)Cc1ncc(Br)cn1)[N@H+](C)Cc1ccccc1 ZINC000926981928 664701101 /nfs/dbraw/zinc/70/11/01/664701101.db2.gz YHYXDQFTKHATAX-CYBMUJFWSA-N 1 0 377.286 2.718 20 0 GFADRO OC1(C(F)(F)F)CCC([NH2+]CC2(n3cc(Br)cn3)CC2)CC1 ZINC000927007787 664702182 /nfs/dbraw/zinc/70/21/82/664702182.db2.gz JNGJXVXMSPPHFQ-UHFFFAOYSA-N 1 0 382.224 2.960 20 0 GFADRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)NCC1(n2cc(Br)cn2)CC1 ZINC000927108434 664704166 /nfs/dbraw/zinc/70/41/66/664704166.db2.gz OFNSXXAQRMAOHS-ZDUSSCGKSA-N 1 0 398.349 2.506 20 0 GFADRO C[C@@H]([NH2+]C[C@@H](O)c1ccnn1C)c1ccc(F)c(I)c1 ZINC000927126015 664704912 /nfs/dbraw/zinc/70/49/12/664704912.db2.gz CTIYSDSRGMSRPC-YMTOWFKASA-N 1 0 389.212 2.548 20 0 GFADRO Cn1nnc2c1C[C@H]([NH2+][C@@H](c1ccc(Br)cc1)[C@H]1CCCO1)CC2 ZINC000927147435 664705310 /nfs/dbraw/zinc/70/53/10/664705310.db2.gz SBVKEIYXFPWASA-OLMNPRSZSA-N 1 0 391.313 2.945 20 0 GFADRO Cc1c(NC(=O)C(=O)N[C@H](C)[C@H](C)[NH3+])cc(Br)cc1C(F)(F)F ZINC000927800452 664716061 /nfs/dbraw/zinc/71/60/61/664716061.db2.gz ZTVNNCIHPNYJTF-JGVFFNPUSA-N 1 0 396.207 2.567 20 0 GFADRO Cc1cc(Br)cc(Cl)c1NC(=O)C(=O)NC[C@@H]1CC[C@H]([NH3+])C1 ZINC000927926433 664717872 /nfs/dbraw/zinc/71/78/72/664717872.db2.gz DZYLMKGNXYIEEI-KOLCDFICSA-N 1 0 388.693 2.593 20 0 GFADRO C[C@@H]1[C@@H](NC(=O)c2ccc(Cn3cc(Br)cn3)s2)CC[N@@H+]1C ZINC000928425595 664732366 /nfs/dbraw/zinc/73/23/66/664732366.db2.gz JABNODUSBWDEJZ-MFKMUULPSA-N 1 0 383.315 2.578 20 0 GFADRO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000928444384 664732619 /nfs/dbraw/zinc/73/26/19/664732619.db2.gz YVKAJWFGXMQQME-ZWNOBZJWSA-N 1 0 379.254 2.686 20 0 GFADRO C[C@H]1[C@H](NC(=O)CCc2nc(-c3cc(Br)cs3)no2)CC[N@@H+]1C ZINC000928443845 664732625 /nfs/dbraw/zinc/73/26/25/664732625.db2.gz HEWUVTJTQPRNLK-GXSJLCMTSA-N 1 0 399.314 2.702 20 0 GFADRO Cc1c(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2C)cnn1-c1ccc(Br)cc1 ZINC000928453912 664732832 /nfs/dbraw/zinc/73/28/32/664732832.db2.gz PFGYFSDATDBAAC-BLLLJJGKSA-N 1 0 377.286 2.766 20 0 GFADRO C[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(NC(=O)CSc2cccs2)cc1 ZINC000928563178 664735176 /nfs/dbraw/zinc/73/51/76/664735176.db2.gz NVZIKMMQSBBEDW-OAHLLOKOSA-N 1 0 375.519 2.913 20 0 GFADRO CCOC(=O)[C@H](c1nc(Br)sc1C)N1CCC([NH+](C)C)CC1 ZINC000929259530 664749040 /nfs/dbraw/zinc/74/90/40/664749040.db2.gz FZULNXJQCGUSPL-ZDUSSCGKSA-N 1 0 390.347 2.844 20 0 GFADRO COC(=O)c1ccc(Br)c(CN2CCC([N@H+](C)CCCO)CC2)c1 ZINC000929658319 664755715 /nfs/dbraw/zinc/75/57/15/664755715.db2.gz SPJMBBZTOZZDPG-UHFFFAOYSA-N 1 0 399.329 2.514 20 0 GFADRO CC[C@@H](CO)[NH+]1CCN(CCCCOc2ccc(Br)cc2)CC1 ZINC000929730587 664756721 /nfs/dbraw/zinc/75/67/21/664756721.db2.gz CRTKRUPIONRCIC-KRWDZBQOSA-N 1 0 385.346 2.997 20 0 GFADRO CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C[N@H+](CCS(C)(=O)=O)C(C)(C)C)C1 ZINC000929859329 664758590 /nfs/dbraw/zinc/75/85/90/664758590.db2.gz SYDCUTPTWSLEIB-LSDHHAIUSA-N 1 0 376.563 2.825 20 0 GFADRO COCC(COC)[NH+]1CCC(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000929927663 664759949 /nfs/dbraw/zinc/75/99/49/664759949.db2.gz UPIYGCKIXMFBHL-UHFFFAOYSA-N 1 0 385.302 2.761 20 0 GFADRO COc1ccc(Br)c(NC(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)c1 ZINC000930075170 664762161 /nfs/dbraw/zinc/76/21/61/664762161.db2.gz BRXKFOLNACWTCD-HZPDHXFCSA-N 1 0 398.301 2.521 20 0 GFADRO CC(C)[N@H+](C)CCCNC(=O)C[C@H]1C(=O)Nc2ccc(Br)cc21 ZINC000930181466 664764040 /nfs/dbraw/zinc/76/40/40/664764040.db2.gz AZKRLWIRZWRJHM-CQSZACIVSA-N 1 0 382.302 2.721 20 0 GFADRO C[C@@H]([NH2+]CCOC1CCSCC1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000930208377 664764582 /nfs/dbraw/zinc/76/45/82/664764582.db2.gz OMBISTHPMYJNGS-OAHLLOKOSA-N 1 0 384.567 2.789 20 0 GFADRO C[C@@H]1CC[C@H](C(N)=O)[C@H](C)[N@@H+]1Cc1nc(-c2cccc(Br)c2)no1 ZINC000930914806 664780890 /nfs/dbraw/zinc/78/08/90/664780890.db2.gz JFNQJMFBXLASAC-SUNKGSAMSA-N 1 0 393.285 2.973 20 0 GFADRO C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)c1ncc(Br)cn1 ZINC000930977714 664782318 /nfs/dbraw/zinc/78/23/18/664782318.db2.gz ASVKTCQOQXCMRO-UHFFFAOYSA-N 1 0 381.249 2.582 20 0 GFADRO Cn1cc(CNC(=O)Nc2ccccc2CC[NH+](C)C)c(Br)n1 ZINC000931019117 664783217 /nfs/dbraw/zinc/78/32/17/664783217.db2.gz ONNGZWRGFXHYCZ-UHFFFAOYSA-N 1 0 380.290 2.608 20 0 GFADRO CCO[C@@H](CNC(=O)Nc1cc(Br)c(F)cc1F)C[NH+](C)C ZINC000931028958 664783596 /nfs/dbraw/zinc/78/35/96/664783596.db2.gz JFJHRAGRQCBNBX-VIFPVBQESA-N 1 0 380.233 2.816 20 0 GFADRO COC(=O)c1cc(Br)c(CN2C[C@@H](C)[C@@](C)(CO)C2)cc1OC ZINC000931067470 664784409 /nfs/dbraw/zinc/78/44/09/664784409.db2.gz ULUXJDRCILYVME-PIGZYNQJSA-N 1 0 386.286 2.695 20 0 GFADRO COC(=O)c1cccc(NC(=O)N[C@H]2C[N@@H+](C3CC3)C[C@H]2C)c1Br ZINC000931085994 664785160 /nfs/dbraw/zinc/78/51/60/664785160.db2.gz DJPQZJGPWDDPGQ-YGRLFVJLSA-N 1 0 396.285 2.840 20 0 GFADRO CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)c1cc(=O)[nH]cc1Br ZINC000931347734 664792324 /nfs/dbraw/zinc/79/23/24/664792324.db2.gz ZJQPJTVQEQRSPU-UHFFFAOYSA-N 1 0 378.270 2.884 20 0 GFADRO C[C@@H]1CCC[N@@H+]1CCNC(=O)Nc1ccc2nccnc2c1Br ZINC000931389455 664793371 /nfs/dbraw/zinc/79/33/71/664793371.db2.gz DVCUVZTVNWTLRM-LLVKDONJSA-N 1 0 378.274 2.998 20 0 GFADRO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)Nc2ccc3nccnc3c2Br)C1 ZINC000931390400 664793562 /nfs/dbraw/zinc/79/35/62/664793562.db2.gz VCDLXLOBRHENFG-GWCFXTLKSA-N 1 0 376.258 2.560 20 0 GFADRO O=C(NCC[NH+]1CCC(O)CC1)Nc1ccc(Cl)cc1OCC(F)F ZINC000931437971 664794934 /nfs/dbraw/zinc/79/49/34/664794934.db2.gz DDPZNDWJLSQCGE-UHFFFAOYSA-N 1 0 377.819 2.562 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(Cc3noc(Cc4ccc(Br)cc4)n3)C[C@@H]2C1 ZINC000931440332 664795108 /nfs/dbraw/zinc/79/51/08/664795108.db2.gz WAPNVSXSQQBLNO-CABCVRRESA-N 1 0 391.313 2.806 20 0 GFADRO OCCCCC[NH+]1CCN(Cc2nc3ccc(Br)cc3o2)CC1 ZINC000931496039 664796440 /nfs/dbraw/zinc/79/64/40/664796440.db2.gz PVPSINZQMNLASB-UHFFFAOYSA-N 1 0 382.302 2.871 20 0 GFADRO O=C1CC2(CCOCC2)N(Cc2cccc(Cl)c2Br)CCN1 ZINC000931531308 664797703 /nfs/dbraw/zinc/79/77/03/664797703.db2.gz CORPAKYIZUTZEA-UHFFFAOYSA-N 1 0 387.705 2.974 20 0 GFADRO CC[NH+]1CCC(N(C)C(=O)C[C@H]2C(=O)Nc3c2cccc3Br)CC1 ZINC000931639200 664801173 /nfs/dbraw/zinc/80/11/73/664801173.db2.gz LUOQKNZMRAMUSI-CQSZACIVSA-N 1 0 394.313 2.818 20 0 GFADRO C[NH+](C)C[C@@H]1CCCN1C(=O)c1cc2ccc(Br)cc2c(=O)o1 ZINC000931662223 664801974 /nfs/dbraw/zinc/80/19/74/664801974.db2.gz DTHOERCNKGXTIR-ZDUSSCGKSA-N 1 0 379.254 2.722 20 0 GFADRO COC[C@@H]([NH2+]Cc1cc(C(=O)OC)ccc1Br)[C@@H]1CCCOC1 ZINC000931754583 664804357 /nfs/dbraw/zinc/80/43/57/664804357.db2.gz HIERKQJUXVOGJS-CZUORRHYSA-N 1 0 386.286 2.767 20 0 GFADRO Cc1nc([C@@H]2CCN([C@@H]3CCc4cc(Br)ccc4NC3=O)C2)no1 ZINC000931934618 664807448 /nfs/dbraw/zinc/80/74/48/664807448.db2.gz BKKJWQCKGZIXJN-IUODEOHRSA-N 1 0 391.269 2.883 20 0 GFADRO CSc1ccc(NC(=O)NCC[NH+]2CCC(O)CC2)cc1Br ZINC000931987879 664808378 /nfs/dbraw/zinc/80/83/78/664808378.db2.gz BBWSSRJJPHTKNJ-UHFFFAOYSA-N 1 0 388.331 2.749 20 0 GFADRO C[C@@H](CNC(=O)c1cnn(Cc2ccccc2)c1Br)[NH+]1CCCC1 ZINC000932028863 664809194 /nfs/dbraw/zinc/80/91/94/664809194.db2.gz IMWYHCDSFNTTKF-AWEZNQCLSA-N 1 0 391.313 2.908 20 0 GFADRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)Nc1nnc(C(F)(F)C(F)(F)F)s1 ZINC000932089163 664809914 /nfs/dbraw/zinc/80/99/14/664809914.db2.gz BJKUEGQNYZHCLG-SVRRBLITSA-N 1 0 385.362 2.796 20 0 GFADRO CC(C)[NH+]1CCN(CCCN2CCC[C@H]2c2ncc(Br)cn2)CC1 ZINC000932257741 664817013 /nfs/dbraw/zinc/81/70/13/664817013.db2.gz GJTRNJONAMMZKW-KRWDZBQOSA-N 1 0 396.377 2.792 20 0 GFADRO O=C(NCCN1CCc2sccc2C1)NC1(C(F)(F)F)CCOCC1 ZINC000932284099 664818155 /nfs/dbraw/zinc/81/81/55/664818155.db2.gz HNQUKPSWJLBBFH-UHFFFAOYSA-N 1 0 377.432 2.517 20 0 GFADRO C[N@@H+]1CCC[C@H](CNC(=O)c2cc3ccc(Br)cc3c(=O)o2)C1 ZINC000932309280 664819143 /nfs/dbraw/zinc/81/91/43/664819143.db2.gz CPAXDWXXKUDJBV-LLVKDONJSA-N 1 0 379.254 2.627 20 0 GFADRO Cc1cc(I)ccc1NC(=O)CN1CCO[C@@H](C)CC1 ZINC000932346954 664820122 /nfs/dbraw/zinc/82/01/22/664820122.db2.gz SOPSRZGEVTYSTM-LBPRGKRZSA-N 1 0 388.249 2.649 20 0 GFADRO CC(C)[C@H](C[NH+](C)C)NC(=O)C[C@H]1C(=O)Nc2ccc(Br)cc21 ZINC000932712435 664832402 /nfs/dbraw/zinc/83/24/02/664832402.db2.gz IYQNYRAUAQUCCE-HIFRSBDPSA-N 1 0 382.302 2.577 20 0 GFADRO Cc1ncc(NC(=O)NC[C@@H]2CC[N@@H+]2C2CCOCC2)c(C)c1Br ZINC000932764839 664835656 /nfs/dbraw/zinc/83/56/56/664835656.db2.gz PXRHRICAEYGHPA-AWEZNQCLSA-N 1 0 397.317 2.836 20 0 GFADRO Cc1ncc(NC(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)c(C)c1Br ZINC000932775172 664837015 /nfs/dbraw/zinc/83/70/15/664837015.db2.gz FFZHVUYBHFEHAK-UHFFFAOYSA-N 1 0 398.349 2.608 20 0 GFADRO Cc1ncc(NC(=O)N2CC[NH+](C3CCOCC3)CC2)c(C)c1Br ZINC000932780741 664837996 /nfs/dbraw/zinc/83/79/96/664837996.db2.gz HRPCEHOYMHLTKD-UHFFFAOYSA-N 1 0 397.317 2.789 20 0 GFADRO O=C1N[C@H](C2CC[NH+](C[C@@H](O)COc3cc(Cl)ccc3Cl)CC2)CO1 ZINC000932785902 664838474 /nfs/dbraw/zinc/83/84/74/664838474.db2.gz ZPTSPCXLWPNPOR-HIFRSBDPSA-N 1 0 389.279 2.554 20 0 GFADRO Cc1ncc(NC(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c(C)c1Br ZINC000932785760 664838526 /nfs/dbraw/zinc/83/85/26/664838526.db2.gz LPIZTFMWJWHQAM-HUUCEWRRSA-N 1 0 397.317 2.524 20 0 GFADRO CO[C@H](C[N@@H+]1CCC[C@@](O)(c2ccc(Br)cc2)C1)[C@H]1CCOC1 ZINC000932815854 664840001 /nfs/dbraw/zinc/84/00/01/664840001.db2.gz RNBCQWXAMPPUGI-QGTPRVQTSA-N 1 0 384.314 2.784 20 0 GFADRO O[C@@H](CCC1(O)CCC1)C[N@@H+]1CCC[C@](O)(c2ccc(Br)cc2)C1 ZINC000932816788 664840131 /nfs/dbraw/zinc/84/01/31/664840131.db2.gz ZJFGADKYBHSPGL-PKOBYXMFSA-N 1 0 398.341 2.789 20 0 GFADRO O=S1(=O)CC[C@H](C[N@H+]2CCC[C@H]2COc2ccc(Br)cc2)C1 ZINC000932882928 664842171 /nfs/dbraw/zinc/84/21/71/664842171.db2.gz DPVROJPPGOGCNA-HIFRSBDPSA-N 1 0 388.327 2.727 20 0 GFADRO COc1ncc(NC(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)c(C)c1Br ZINC000932960823 664845670 /nfs/dbraw/zinc/84/56/70/664845670.db2.gz SOXOJSFTKWNLJS-WCQYABFASA-N 1 0 383.290 2.719 20 0 GFADRO O[C@@H](COc1cc(Cl)ccc1Cl)C[NH+]1CCC2(CC1)C[C@H](O)CCO2 ZINC000933066202 664849023 /nfs/dbraw/zinc/84/90/23/664849023.db2.gz MSVYZIDBXFHOGS-HUUCEWRRSA-N 1 0 390.307 2.739 20 0 GFADRO C[C@](CO)(Cc1ccc(Br)cc1)[NH2+]CCC(=O)N1CCCCC1 ZINC000933436532 664863815 /nfs/dbraw/zinc/86/38/15/664863815.db2.gz FHEUIIZFVLNACL-GOSISDBHSA-N 1 0 383.330 2.735 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc3c(Br)cnn3c2)[C@H](C)C1 ZINC000933437435 664864013 /nfs/dbraw/zinc/86/40/13/664864013.db2.gz DGALXIRHEIIIJT-DOMZBBRYSA-N 1 0 379.302 2.899 20 0 GFADRO C[C@](CO)(Cc1ccc(Cl)cc1)[NH2+]C[C@H](O)c1cc(Br)no1 ZINC000933445560 664864897 /nfs/dbraw/zinc/86/48/97/664864897.db2.gz RCSHEIKCDRPFGG-SWLSCSKDSA-N 1 0 389.677 2.707 20 0 GFADRO CC[NH+](CC)C[C@H]1CCN(C(=O)c2ccc3c(Br)cnn3c2)C1 ZINC000933771107 664877688 /nfs/dbraw/zinc/87/76/88/664877688.db2.gz PCXPZEUCDSMQIF-CYBMUJFWSA-N 1 0 379.302 2.901 20 0 GFADRO COCCOc1ccc(NC(=O)N2CC[C@@H]3C[N@H+](C)C[C@H]32)cc1Br ZINC000933991602 664886004 /nfs/dbraw/zinc/88/60/04/664886004.db2.gz QTSFMODSUFSPGU-IUODEOHRSA-N 1 0 398.301 2.642 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C[C@@H]2C(=O)Nc3ccc(Br)cc32)C1 ZINC000934192838 664892022 /nfs/dbraw/zinc/89/20/22/664892022.db2.gz CGLMOIVSGZEYFV-NFAWXSAZSA-N 1 0 394.313 2.864 20 0 GFADRO O=C(c1ncc(C(F)(F)F)cc1Cl)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000934218680 664892799 /nfs/dbraw/zinc/89/27/99/664892799.db2.gz AMQSIPHASVYRKR-NSHDSACASA-N 1 0 377.794 2.548 20 0 GFADRO C[C@@H](Cc1cccnc1)[NH2+]C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000934229873 664892992 /nfs/dbraw/zinc/89/29/92/664892992.db2.gz FKWJXUQWXYBIOO-LRDDRELGSA-N 1 0 383.261 2.944 20 0 GFADRO Cc1c(Br)cncc1NC(=O)N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC000934266105 664895591 /nfs/dbraw/zinc/89/55/91/664895591.db2.gz ACEOJORHIIWIFQ-GFCCVEGCSA-N 1 0 397.317 2.870 20 0 GFADRO CCOc1cc(C[N@@H+]2CCCSC[C@H]2C)nc2nc(C(F)(F)F)nn21 ZINC000934303210 664898143 /nfs/dbraw/zinc/89/81/43/664898143.db2.gz RLUXSLZHNBAYKF-SNVBAGLBSA-N 1 0 375.420 2.869 20 0 GFADRO Brc1ccccc1-n1nnnc1C[NH2+][C@@H]1CCOC12CCCC2 ZINC000934392115 664905241 /nfs/dbraw/zinc/90/52/41/664905241.db2.gz QGYJGHNDVWVHEI-CQSZACIVSA-N 1 0 378.274 2.616 20 0 GFADRO Cn1c(C[NH2+][C@@H]2CCOC23CCOCC3)nc2ccc(Br)cc21 ZINC000934405335 664905931 /nfs/dbraw/zinc/90/59/31/664905931.db2.gz ZAZZSFDYLFRKDU-OAHLLOKOSA-N 1 0 380.286 2.764 20 0 GFADRO O[C@H](C[NH2+][C@H]1CCOC12CCOCC2)COc1ccc(Cl)cc1Cl ZINC000934410553 664906236 /nfs/dbraw/zinc/90/62/36/664906236.db2.gz RLNAEIBRCDECLP-CJNGLKHVSA-N 1 0 376.280 2.661 20 0 GFADRO C[C@@](CO)([NH2+]C[C@@H]1CCC2(CCOCC2)O1)c1cccc(Br)c1 ZINC000934492777 664908401 /nfs/dbraw/zinc/90/84/01/664908401.db2.gz GIVHMOZPCMTCOD-IRXDYDNUSA-N 1 0 384.314 2.974 20 0 GFADRO C[C@@H]1C[C@@H]([NH2+][C@@H](CO)c2ccccc2I)C[C@H](C)O1 ZINC000934827776 664925424 /nfs/dbraw/zinc/92/54/24/664925424.db2.gz JCGSBKXRVAPQAY-OXIQGZBJSA-N 1 0 375.250 2.870 20 0 GFADRO Cn1c(C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)cc2cc(Br)cnc21 ZINC000934951513 664931388 /nfs/dbraw/zinc/93/13/88/664931388.db2.gz OXRKGDRWQXMSAT-IUODEOHRSA-N 1 0 391.313 2.892 20 0 GFADRO O=C(NCCCC[N@H+]1CCC[C@@H]1CO)c1cc(Br)cnc1C1CC1 ZINC000934955587 664931872 /nfs/dbraw/zinc/93/18/72/664931872.db2.gz WIINFKDUPPNFJQ-OAHLLOKOSA-N 1 0 396.329 2.688 20 0 GFADRO C[N@H+](CCCO)C1CCN(C(=O)c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000935108072 664940103 /nfs/dbraw/zinc/94/01/03/664940103.db2.gz RMXGBXGBHCWEQQ-UHFFFAOYSA-N 1 0 379.810 2.673 20 0 GFADRO CS[C@@H]1CN(C(=O)c2cc(Br)c3nccnc3c2)C[C@H]1[NH+](C)C ZINC000935113133 664940296 /nfs/dbraw/zinc/94/02/96/664940296.db2.gz MNQNSTLHCGUWOZ-ZIAGYGMSSA-N 1 0 395.326 2.510 20 0 GFADRO C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)c1cc2ccc(Br)cc2c(=O)o1 ZINC000935188516 664945217 /nfs/dbraw/zinc/94/52/17/664945217.db2.gz AYBNWWXICAOZTG-GHMZBOCLSA-N 1 0 379.254 2.720 20 0 GFADRO C[N@@H+]1CCCC12CCN(C(=O)c1nc(C3CC3)ncc1Br)CC2 ZINC000935217494 664946537 /nfs/dbraw/zinc/94/65/37/664946537.db2.gz JBHKJNMYUIEIAM-UHFFFAOYSA-N 1 0 379.302 2.817 20 0 GFADRO CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)COC1CC[NH+](C)CC1 ZINC000935233145 664947652 /nfs/dbraw/zinc/94/76/52/664947652.db2.gz MSBQLDPQSUEKAT-UGSOOPFHSA-N 1 0 399.329 2.752 20 0 GFADRO C[C@@H](NC(=O)c1cnnn1-c1cccc(Cl)c1Cl)C1=CC[N@H+](C)CC1 ZINC000935314928 664953557 /nfs/dbraw/zinc/95/35/57/664953557.db2.gz ZNIFUTDDZXSUJR-LLVKDONJSA-N 1 0 380.279 2.954 20 0 GFADRO C[C@@H]1CN(C(=O)c2cc(Br)cnc2C2CC2)CC[N@@H+]1CC(C)(C)O ZINC000935541513 664969140 /nfs/dbraw/zinc/96/91/40/664969140.db2.gz ANMBLIUSNNANTB-GFCCVEGCSA-N 1 0 396.329 2.639 20 0 GFADRO C[C@@H](C(=O)N1CCC2(C[NH+](C)C2)C1)c1ccc(I)cc1 ZINC000935667387 664979634 /nfs/dbraw/zinc/97/96/34/664979634.db2.gz UTHDTMBKQMBRHF-GFCCVEGCSA-N 1 0 384.261 2.559 20 0 GFADRO C[NH+](C)C[C@]1(O)CCCN(C(=O)C/C=C/c2ccc(Br)cc2)C1 ZINC000935679980 664980834 /nfs/dbraw/zinc/98/08/34/664980834.db2.gz NUEITWCNGWCRCJ-YWPBOTNQSA-N 1 0 381.314 2.768 20 0 GFADRO C[NH+]1CCC(OCC(=O)N[C@@H]2C[C@H]2c2ccc(Br)c(F)c2)CC1 ZINC000935745010 664985971 /nfs/dbraw/zinc/98/59/71/664985971.db2.gz CBTHBRAMUXCNIU-XJKSGUPXSA-N 1 0 385.277 2.671 20 0 GFADRO CC[NH+](CC)CC[C@H](CO)NC(=O)c1cc(F)cc(Br)c1F ZINC000935780997 664988342 /nfs/dbraw/zinc/98/83/42/664988342.db2.gz UKSFGHVSUDLDHO-LLVKDONJSA-N 1 0 379.245 2.550 20 0 GFADRO CN(CCC[NH+]1CCCC1)C(=O)C[C@H]1C(=O)Nc2c1cccc2Br ZINC000935799474 664989709 /nfs/dbraw/zinc/98/97/09/664989709.db2.gz YZTKGZANAMXEHH-CQSZACIVSA-N 1 0 394.313 2.819 20 0 GFADRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1ccc2c(Br)cnn2c1 ZINC000935975616 665002048 /nfs/dbraw/zinc/00/20/48/665002048.db2.gz IXVPQFRPDDRRDV-WFASDCNBSA-N 1 0 377.286 2.796 20 0 GFADRO CSC1(CNC(=O)c2nc(Br)c3ccccn32)CC[NH+](C)CC1 ZINC000936042400 665005541 /nfs/dbraw/zinc/00/55/41/665005541.db2.gz NKNUPDIVEPTTRU-UHFFFAOYSA-N 1 0 397.342 2.654 20 0 GFADRO CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C)[C@H](NC(=O)c3ccsc3Cl)C2)CC[N@@H+]1C ZINC000949535891 665010313 /nfs/dbraw/zinc/01/03/13/665010313.db2.gz PPGIJMGZXDRPPA-AYRXBEOTSA-N 1 0 383.945 2.709 20 0 GFADRO Cc1ccc(-c2ncc(C[NH2+][C@@H]3CCO[C@]4(CCS(=O)(=O)C4)C3)s2)o1 ZINC000956938024 665012719 /nfs/dbraw/zinc/01/27/19/665012719.db2.gz KNVOHIYFOAYCDS-CXAGYDPISA-N 1 0 382.507 2.537 20 0 GFADRO C[C@@H]1[C@H](C(=O)N[C@@H]2CC[C@H](CNC(=O)c3cscc3Cl)C2)CC[N@@H+]1C ZINC000981570258 665018149 /nfs/dbraw/zinc/01/81/49/665018149.db2.gz YBCLMHYNDDFBSP-XJFOESAGSA-N 1 0 383.945 2.756 20 0 GFADRO CC[C@@H]1[C@@H](C(=O)N[C@H]2CCN(C(=O)c3ccsc3Cl)[C@@H]2C)CC[N@@H+]1C ZINC000988332287 665020454 /nfs/dbraw/zinc/02/04/54/665020454.db2.gz GNXZMSZKBBQDRW-PAPYEOQZSA-N 1 0 383.945 2.851 20 0 GFADRO Cc1csc(Cl)c1C(=O)N[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[C@@H]1C ZINC000989199991 665021376 /nfs/dbraw/zinc/02/13/76/665021376.db2.gz GMUAWHXJKMRNSY-SYQHCUMBSA-N 1 0 383.945 2.769 20 0 GFADRO C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)c2ccc(Cl)s2)CC[N@@H+]1C ZINC000997005976 665034461 /nfs/dbraw/zinc/03/44/61/665034461.db2.gz AAGKAOCRQJLKID-POQQGIQPSA-N 1 0 381.929 2.603 20 0 GFADRO Cc1csc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H]2CCC[N@H+]2C)c1Cl ZINC001002965400 665058456 /nfs/dbraw/zinc/05/84/56/665058456.db2.gz ZVUQZHDLPOLBPD-YIYPIFLZSA-N 1 0 381.929 2.666 20 0 GFADRO C[N@@H+]1CCCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(Cl)s1)C2 ZINC001006395913 665070177 /nfs/dbraw/zinc/07/01/77/665070177.db2.gz NCADEYJFYVNLFL-MQYQWHSLSA-N 1 0 381.929 2.748 20 0 GFADRO NS(=O)(=O)c1ccc(OCC[N@@H+]2CCSC[C@H]2c2ccccc2)cc1 ZINC000115560514 677395505 /nfs/dbraw/zinc/39/55/05/677395505.db2.gz SOKBTVQHHJNQKG-SFHVURJKSA-N 1 0 378.519 2.503 20 0 GFADRO CCN1CC[NH+](CCCCNC(=O)c2ccc(Br)cc2C)CC1 ZINC000120518112 677396910 /nfs/dbraw/zinc/39/69/10/677396910.db2.gz RQKWNYQINYMQHK-UHFFFAOYSA-N 1 0 382.346 2.905 20 0 GFADRO CC(C)S(=O)(=O)CCC[N@H+](C)C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000121680421 677400230 /nfs/dbraw/zinc/40/02/30/677400230.db2.gz WCMUMQGWJRUHIV-UHFFFAOYSA-N 1 0 376.563 2.967 20 0 GFADRO CC[NH+](CC)CC(=O)NNC(=O)CCCOc1ccc(Cl)cc1Cl ZINC000143180571 677402160 /nfs/dbraw/zinc/40/21/60/677402160.db2.gz QDUUSIKOADAABF-UHFFFAOYSA-N 1 0 376.284 2.642 20 0 GFADRO O=S(=O)(NC1CC[NH+](Cc2ccccc2)CC1)c1cnc(Cl)c(F)c1 ZINC000386413403 677407648 /nfs/dbraw/zinc/40/76/48/677407648.db2.gz YHAFDFFSKLRGNZ-UHFFFAOYSA-N 1 0 383.876 2.817 20 0 GFADRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H](C)[NH+]1CCCCC1 ZINC000391797421 677409401 /nfs/dbraw/zinc/40/94/01/677409401.db2.gz MJZPYXPCKDDJAO-GFCCVEGCSA-N 1 0 375.878 2.709 20 0 GFADRO Cc1nc(Cl)ccc1S(=O)(=O)N[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000398118481 677411921 /nfs/dbraw/zinc/41/19/21/677411921.db2.gz ABSHHEKKSLXNDW-BBRMVZONSA-N 1 0 379.913 2.985 20 0 GFADRO FC(F)(c1cc(Cl)nc(-c2ccccc2)n1)N1CC[C@H]2[NH2+]CCO[C@H]2C1 ZINC001164390304 718823707 /nfs/dbraw/zinc/82/37/07/718823707.db2.gz NRYPOCQUWUKLQC-KGLIPLIRSA-N 1 0 380.826 2.909 20 0 GFADRO Fc1ccc(-c2cc(C(F)(F)N3CCOCC34C[NH2+]C4)c(Cl)nn2)cc1 ZINC001164401432 718860987 /nfs/dbraw/zinc/86/09/87/718860987.db2.gz DMYMMNNGHGDSJI-UHFFFAOYSA-N 1 0 384.789 2.660 20 0 GFADRO CSc1ccc(C(F)(F)N2CCCO[C@@]3(C[NH2+]CCOC3)C2)nc1Cl ZINC001164423797 718915094 /nfs/dbraw/zinc/91/50/94/718915094.db2.gz JJJKCBCMNQACJO-HNNXBMFYSA-N 1 0 393.887 2.587 20 0 GFADRO CCOC(=O)C1CC[NH+](C2CCN(c3ncc(Cl)cc3OC)CC2)CC1 ZINC001164614255 719022979 /nfs/dbraw/zinc/02/29/79/719022979.db2.gz QIUQHYUAWBPQTK-UHFFFAOYSA-N 1 0 381.904 2.988 20 0 GFADRO CCOC(=O)C1CC[NH+](C2CCN(c3cnc(Cl)cc3OC)CC2)CC1 ZINC001164613782 719024418 /nfs/dbraw/zinc/02/44/18/719024418.db2.gz DNDGKRHWBKWLOV-UHFFFAOYSA-N 1 0 381.904 2.988 20 0 GFADRO CN1CCc2nc(Cl)nc(N3CC[C@]4(C[NH2+]C[C@@H]4c4ccccc4)C3)c2C1 ZINC001164618831 719049008 /nfs/dbraw/zinc/04/90/08/719049008.db2.gz BYUPTUHHPXVTNE-UTKZUKDTSA-N 1 0 383.927 2.701 20 0 GFADRO COC(=O)CSc1cncc(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC001164627401 719103454 /nfs/dbraw/zinc/10/34/54/719103454.db2.gz KDFSBHUBPULGJP-MSOLQXFVSA-N 1 0 398.532 2.843 20 0 GFADRO COC(=O)c1cc(C(F)(F)N2C[C@@H](CF)[C@H](C3([NH3+])CC3)C2)cnc1Cl ZINC001164629330 719117099 /nfs/dbraw/zinc/11/70/99/719117099.db2.gz RYJJHIXSVDYQMS-BXKDBHETSA-N 1 0 377.794 2.580 20 0 GFADRO COC(=O)c1cnc(Cl)c(C(F)(F)N2C[C@H](C3([NH3+])CC3)[C@H](CF)C2)c1 ZINC001164622566 719121275 /nfs/dbraw/zinc/12/12/75/719121275.db2.gz PJNPBYIKESSWFG-PWSUYJOCSA-N 1 0 377.794 2.580 20 0 GFADRO [NH3+]C1([C@H]2CN(C(F)(F)COC(=O)Nc3ccc(Cl)nc3)C[C@H]2CF)CC1 ZINC001164624746 719125114 /nfs/dbraw/zinc/12/51/14/719125114.db2.gz VYHMSAOTBNUSFD-PWSUYJOCSA-N 1 0 392.809 2.885 20 0 GFADRO Cc1sc2nc(CN3CCOCC3)nc(N3C[C@@H](C)[N@@H+](C)C[C@H]3C)c2c1C ZINC001164631345 719236925 /nfs/dbraw/zinc/23/69/25/719236925.db2.gz DAXAGUXDMLUSAO-ZIAGYGMSSA-N 1 0 389.569 2.669 20 0 GFADRO C[C@@H]1CN(c2ccc(S(=O)(=O)Nc3cc(F)ccc3F)cn2)[C@@H](C)C[N@@H+]1C ZINC001164633311 719244917 /nfs/dbraw/zinc/24/49/17/719244917.db2.gz KTVKPWIQHGDCGR-OLZOCXBDSA-N 1 0 396.463 2.689 20 0 GFADRO Cc1noc([C@@H]2C[C@H]3CCN(c4cccc(OCC[NH+]5CCCC5)n4)C[C@H]3O2)n1 ZINC001164654716 719299985 /nfs/dbraw/zinc/29/99/85/719299985.db2.gz RODFNAVXTICRIV-FGTMMUONSA-N 1 0 399.495 2.604 20 0 GFADRO CCOC(=O)c1c2ccccn2c2ncnc(N3CC[NH+](CC(C)C)CC3)c12 ZINC001164651663 719329059 /nfs/dbraw/zinc/32/90/59/719329059.db2.gz GVTLMGPYGBJEJE-UHFFFAOYSA-N 1 0 381.480 2.837 20 0 GFADRO C[N@@H+]1CCO[C@H]2CN(c3cc(C(=O)Nc4ccc(Cl)nc4)ccc3F)C[C@H]21 ZINC001164668071 719394008 /nfs/dbraw/zinc/39/40/08/719394008.db2.gz PVMYOXIDMVQSJX-SJORKVTESA-N 1 0 390.846 2.646 20 0 GFADRO C[N@@H+]1CCO[C@H]2CN(c3cc(C(=O)Nc4ccc(Cl)nc4)ccc3F)C[C@@H]21 ZINC001164668069 719394448 /nfs/dbraw/zinc/39/44/48/719394448.db2.gz PVMYOXIDMVQSJX-IRXDYDNUSA-N 1 0 390.846 2.646 20 0 GFADRO Cc1sc2nc(-c3cccnc3)nc(N3C[C@@H]4[C@H](C3)OCC[N@H+]4C)c2c1C ZINC001164669230 719441442 /nfs/dbraw/zinc/44/14/42/719441442.db2.gz LKGWGFJHOUBZKS-CVEARBPZSA-N 1 0 381.505 2.889 20 0 GFADRO Cc1nc2c(nc(Cl)nc2-n2nc(CN(C)C(C)C)c3c2C[NH2+]CC3)s1 ZINC001164683294 719626178 /nfs/dbraw/zinc/62/61/78/719626178.db2.gz RXQSNUQYIYUPEP-UHFFFAOYSA-N 1 0 391.932 2.720 20 0 GFADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3ncccn3)CC2)c2ccccc21 ZINC001164681412 719654632 /nfs/dbraw/zinc/65/46/32/719654632.db2.gz OCHKQVONCCAMQN-GOSISDBHSA-N 1 0 393.535 2.570 20 0 GFADRO CCc1nc(Cl)c(N2CCC3(CCC[N@@H+]3CC(=O)NC)CC2)c(Cl)n1 ZINC001164689536 719745799 /nfs/dbraw/zinc/74/57/99/719745799.db2.gz GVFFXZKCIDBLNW-UHFFFAOYSA-N 1 0 386.327 2.527 20 0 GFADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2nccc(C)c2C(N)=O)CC3)cs1 ZINC001164692592 719807780 /nfs/dbraw/zinc/80/77/80/719807780.db2.gz KJRHNSIZCJRFOI-UHFFFAOYSA-N 1 0 385.537 2.889 20 0 GFADRO CCOC(=O)c1ccc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COC)nc1C ZINC001164815355 720068614 /nfs/dbraw/zinc/06/86/14/720068614.db2.gz YOIPPTIYLPUOJX-PGRDOPGGSA-N 1 0 387.524 2.751 20 0 GFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ccc(N3CCCCC3)nn1)C2 ZINC001164812226 720068705 /nfs/dbraw/zinc/06/87/05/720068705.db2.gz PYDCDBMTOCYCAR-DENIHFKCSA-N 1 0 385.556 2.652 20 0 GFADRO COCc1nn(-c2nc(Cl)nc3c2CN(Cc2ccccc2)C3)c2c1C[NH2+]C2 ZINC001164710939 720078619 /nfs/dbraw/zinc/07/86/19/720078619.db2.gz KTVVHTULJKQMCA-UHFFFAOYSA-N 1 0 396.882 2.581 20 0 GFADRO CCOc1nc(Cl)cc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COC)n1 ZINC001164809217 720098720 /nfs/dbraw/zinc/09/87/20/720098720.db2.gz IYIDDIHUTSEDFA-KXBFYZLASA-N 1 0 380.920 2.713 20 0 GFADRO Cn1nnc2c1CCN(c1cc3ccsc3cn1)[C@H]2COCC[NH+]1CCCC1 ZINC001164719919 720188310 /nfs/dbraw/zinc/18/83/10/720188310.db2.gz YWUGPGAPWQBVMC-KRWDZBQOSA-N 1 0 398.536 2.641 20 0 GFADRO Cc1nc2ccccc2c(N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164826715 720304273 /nfs/dbraw/zinc/30/42/73/720304273.db2.gz WHOVKECXXUBHJP-NHCUHLMSSA-N 1 0 393.535 2.850 20 0 GFADRO COc1nc(N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)ccc1Cl ZINC001164830088 720331665 /nfs/dbraw/zinc/33/16/65/720331665.db2.gz OMYQVAKXVKZZAX-IAGOWNOFSA-N 1 0 392.931 2.655 20 0 GFADRO COC(=O)c1ccc2nc(N3CC[C@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)ncc2c1 ZINC001164728459 720346596 /nfs/dbraw/zinc/34/65/96/720346596.db2.gz VTHMHQCDVGNUFT-PMACEKPBSA-N 1 0 389.459 2.665 20 0 GFADRO Cc1cc2cccnc2c(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164826042 720347858 /nfs/dbraw/zinc/34/78/58/720347858.db2.gz KCZYBTDUQNBQBN-VQTJNVASSA-N 1 0 393.535 2.850 20 0 GFADRO C[C@@H]1CCc2nnc(N3CC[C@@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)cc2C1 ZINC001164824403 720349407 /nfs/dbraw/zinc/34/94/07/720349407.db2.gz IFNVDDRDFOQGSZ-MAODMQOUSA-N 1 0 397.567 2.513 20 0 GFADRO COC(=O)/C=C/c1cc(C)cnc1N1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164732149 720417789 /nfs/dbraw/zinc/41/77/89/720417789.db2.gz NDTUOUVPSRASOT-KPDZFXRVSA-N 1 0 378.476 2.824 20 0 GFADRO CCOC(=O)c1cnc2cc(N3CC[C@@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)[nH]cc1-2 ZINC001164735740 720428132 /nfs/dbraw/zinc/42/81/32/720428132.db2.gz YJKUWJKVNREMKE-UXHICEINSA-N 1 0 391.475 2.988 20 0 GFADRO C[C@@H]1CCCN(c2cc(N3CC[C@@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)ncn2)C1 ZINC001164735035 720461499 /nfs/dbraw/zinc/46/14/99/720461499.db2.gz VBSMRTILFRLLPB-RLLQIKCJSA-N 1 0 378.524 2.961 20 0 GFADRO COc1cc(OC)c2ncnc(N3CC[C@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)c2c1 ZINC001164731901 720480948 /nfs/dbraw/zinc/48/09/48/720480948.db2.gz XZPBBHFIHSKVHP-RBUKOAKNSA-N 1 0 391.475 2.895 20 0 GFADRO COc1cc(OC)c2ncnc(N3CC[C@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)c2c1 ZINC001164731897 720481551 /nfs/dbraw/zinc/48/15/51/720481551.db2.gz XZPBBHFIHSKVHP-OALUTQOASA-N 1 0 391.475 2.895 20 0 GFADRO CC(C)[N@H+]1[C@@H]2CCN(c3nc(Cl)ncc3F)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164832895 720508469 /nfs/dbraw/zinc/50/84/69/720508469.db2.gz BTSHSAPMNWTOGU-OFQRWUPVSA-N 1 0 378.883 2.843 20 0 GFADRO COc1cccc(Oc2cncc(N3Cc4nccn4C[C@@H](C[NH+](C)C)C3)n2)c1 ZINC001164733007 720519838 /nfs/dbraw/zinc/51/98/38/720519838.db2.gz IFAOZWUQKJOZFI-MRXNPFEDSA-N 1 0 394.479 2.672 20 0 GFADRO COc1ccc(-c2ccc(N3Cc4nccn4C[C@@H](C[NH+](C)C)C3)nn2)cc1 ZINC001164734196 720523328 /nfs/dbraw/zinc/52/33/28/720523328.db2.gz NRHIKLZAHWTXIF-MRXNPFEDSA-N 1 0 378.480 2.547 20 0 GFADRO COc1ccccc1-c1cc(N2Cc3nccn3C[C@H](C[NH+](C)C)C2)ncn1 ZINC001164731877 720526969 /nfs/dbraw/zinc/52/69/69/720526969.db2.gz BERPAZHJNHXEFN-INIZCTEOSA-N 1 0 378.480 2.547 20 0 GFADRO C[NH+](C)Cc1ccnc(N2CCO[C@@]3(CCC[C@H]3COc3ccccn3)C2)c1 ZINC001164736004 720541530 /nfs/dbraw/zinc/54/15/30/720541530.db2.gz UCBLCACGFLHOHQ-UGKGYDQZSA-N 1 0 382.508 2.993 20 0 GFADRO CSc1nc(Cl)cc(N2CCc3ncc(C[NH+]4CCCC4)n3CC2)n1 ZINC001164733356 720549816 /nfs/dbraw/zinc/54/98/16/720549816.db2.gz LZJHBUIFGSYXDD-UHFFFAOYSA-N 1 0 378.933 2.707 20 0 GFADRO CCOC(=O)/C=C\c1cccnc1N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001164733417 720551092 /nfs/dbraw/zinc/55/10/92/720551092.db2.gz MWXVYCZCSXOTEE-FPLPWBNLSA-N 1 0 395.507 2.513 20 0 GFADRO CC(C)[N@H+]1[C@@H]2CCN(c3ncc4ncsc4n3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164834685 720563048 /nfs/dbraw/zinc/56/30/48/720563048.db2.gz FSIRMUHYOZALMX-HLLBOEOZSA-N 1 0 383.525 2.661 20 0 GFADRO Nc1cc(Cl)nc(C(F)(F)N2CCc3ncc(C[NH+]4CCCC4)n3CC2)c1 ZINC001164728057 720569569 /nfs/dbraw/zinc/56/95/69/720569569.db2.gz IMCYLNYOYGFYSB-UHFFFAOYSA-N 1 0 396.873 2.717 20 0 GFADRO Fc1cccc(-c2ncnc(N3CCc4ncc(C[NH+]5CCCC5)n4CC3)n2)c1 ZINC001164736153 720585489 /nfs/dbraw/zinc/58/54/89/720585489.db2.gz FBHXLMVVRJZTHC-UHFFFAOYSA-N 1 0 393.470 2.533 20 0 GFADRO Cc1cccc2c(C)cc(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)nc12 ZINC001164742452 720625810 /nfs/dbraw/zinc/62/58/10/720625810.db2.gz NIWJVNUYDWTWFJ-QZTJIDSGSA-N 1 0 375.476 2.984 20 0 GFADRO Cc1cccc2nc(Cl)nc(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)c12 ZINC001164746417 720735153 /nfs/dbraw/zinc/73/51/53/720735153.db2.gz XYFCVXLCKOFPIT-HUUCEWRRSA-N 1 0 396.882 2.724 20 0 GFADRO CSc1cc(Cl)cnc1N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164741101 720749867 /nfs/dbraw/zinc/74/98/67/720749867.db2.gz MCMFNTXEDBCGEW-ZIAGYGMSSA-N 1 0 377.901 2.589 20 0 GFADRO c1cc2c(ncnc2N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)s1 ZINC001164744931 720809159 /nfs/dbraw/zinc/80/91/59/720809159.db2.gz JVNIJLMSTMNUOV-LZLYRXPVSA-N 1 0 395.536 2.662 20 0 GFADRO CC(C)(C)c1ccnc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164741907 720823886 /nfs/dbraw/zinc/82/38/86/720823886.db2.gz PBXGIPGZFPRYAP-CEXWTWQISA-N 1 0 395.555 2.745 20 0 GFADRO COCC[N@@H+]1CCO[C@@H]2CN(C(F)(F)c3ccnc(Cl)c3F)CC[C@H]2C1 ZINC001164850852 720835365 /nfs/dbraw/zinc/83/53/65/720835365.db2.gz FNFCTBVSRQQXDM-GXTWGEPZSA-N 1 0 393.837 2.593 20 0 GFADRO COCC[N@@H+]1CCO[C@H]2CN(c3nc(SC)nc4ccccc43)CC[C@H]2C1 ZINC001164858935 720859739 /nfs/dbraw/zinc/85/97/39/720859739.db2.gz SYRFLHOQCIIHLO-YJBOKZPZSA-N 1 0 388.537 2.525 20 0 GFADRO COCC[N@@H+]1CCO[C@@H]2CN(c3ccc(-c4ccc(C)cc4)nn3)CC[C@H]2C1 ZINC001164853807 720873448 /nfs/dbraw/zinc/87/34/48/720873448.db2.gz CVKPXCPKCXNBIB-PZJWPPBQSA-N 1 0 382.508 2.626 20 0 GFADRO Cc1cnnc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c1 ZINC001164749764 720876957 /nfs/dbraw/zinc/87/69/57/720876957.db2.gz HVOBTNKGXULIRG-GGAORHGYSA-N 1 0 393.535 2.935 20 0 GFADRO CCc1nc(Cl)nc(Cl)c1N1CC[C@H]2C[N@H+](CCOC)CCO[C@H]2C1 ZINC001164853298 720888759 /nfs/dbraw/zinc/88/87/59/720888759.db2.gz BQIBPNSHEVYDBK-JSGCOSHPSA-N 1 0 389.327 2.519 20 0 GFADRO COCC[N@@H+]1CCO[C@@H]2CN(c3ncc(F)c(-c4ccsc4)n3)CC[C@H]2C1 ZINC001164861607 720888947 /nfs/dbraw/zinc/88/89/47/720888947.db2.gz PVCJRLQUTVLDQM-WMLDXEAASA-N 1 0 392.500 2.518 20 0 GFADRO Clc1cc(Cl)c(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)nn1 ZINC001164869166 721051994 /nfs/dbraw/zinc/05/19/94/721051994.db2.gz SBNCWZIAEFWHDO-ZIAGYGMSSA-N 1 0 380.279 2.658 20 0 GFADRO Clc1nnc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)c2ncccc12 ZINC001164867495 721090684 /nfs/dbraw/zinc/09/06/84/721090684.db2.gz YNMGDSQOGCTJCB-HOTGVXAUSA-N 1 0 396.882 2.553 20 0 GFADRO Fc1ccc2cnnc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)c2c1 ZINC001164865321 721097710 /nfs/dbraw/zinc/09/77/10/721097710.db2.gz KAARKSNJLVBSFY-RTBURBONSA-N 1 0 379.439 2.644 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4cnc5cc(Cl)ccc5n4)C[C@H]3C2)cn1 ZINC001164772249 721109754 /nfs/dbraw/zinc/10/97/54/721109754.db2.gz USGFLMWXUUACEN-JKSUJKDBSA-N 1 0 382.899 2.975 20 0 GFADRO CSc1nc(Cl)ncc1N1C[C@@H]2CC[N@H+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001164773573 721132425 /nfs/dbraw/zinc/13/24/25/721132425.db2.gz YKDHDLAXBCNWGZ-KBPBESRZSA-N 1 0 378.933 2.544 20 0 GFADRO CCOc1ccc2ncnc(N3C[C@H]4CC[N@H+](Cc5cnn(C)c5)C[C@@H]4C3)c2c1 ZINC001164771763 721143741 /nfs/dbraw/zinc/14/37/41/721143741.db2.gz SZLNIYDFNHEZIV-QZTJIDSGSA-N 1 0 392.507 2.720 20 0 GFADRO CCOc1ccc(Cl)nc1N1C[C@H]2CC[N@H+](Cc3cnn(C)c3)C[C@@H]2C1 ZINC001164773698 721152215 /nfs/dbraw/zinc/15/22/15/721152215.db2.gz YQOFUMHJNJOGFJ-HZPDHXFCSA-N 1 0 375.904 2.826 20 0 GFADRO c1coc(-c2ccc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)nn2)c1 ZINC001164878956 721160875 /nfs/dbraw/zinc/16/08/75/721160875.db2.gz RCFQHLAOKGUEKM-QZTJIDSGSA-N 1 0 377.448 2.611 20 0 GFADRO CC(C)n1ccc2c1ncnc2N1C[C@@H]2C[N@@H+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001164773890 721184127 /nfs/dbraw/zinc/18/41/27/721184127.db2.gz XXPVLMVXNIQODL-MSOLQXFVSA-N 1 0 379.512 2.704 20 0 GFADRO CCc1nc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)c(Cl)nc1C ZINC001164870943 721191467 /nfs/dbraw/zinc/19/14/67/721191467.db2.gz XSZSPOJGGYLXOP-IAGOWNOFSA-N 1 0 387.915 2.876 20 0 GFADRO c1ccc(N2CCOC3(CCN(c4ccc(C[NH+]5CCCC5)cn4)CC3)C2)nc1 ZINC001164874291 721219593 /nfs/dbraw/zinc/21/95/93/721219593.db2.gz UCENOKZPRDEKSS-UHFFFAOYSA-N 1 0 393.535 2.948 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4nc(C5CC5)nc5[nH]ccc54)C[C@H]3C2)cn1 ZINC001164764595 721236576 /nfs/dbraw/zinc/23/65/76/721236576.db2.gz OYTBAHOMSZHZBQ-DLBZAZTESA-N 1 0 377.496 2.527 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4cncc(-c5ccc(F)cc5)n4)C[C@@H]3C2)cn1 ZINC001164769695 721236921 /nfs/dbraw/zinc/23/69/21/721236921.db2.gz ZEAWFLVLCVCBKY-MOPGFXCFSA-N 1 0 392.482 2.975 20 0 GFADRO COC(=O)c1ccc(C(F)(F)N2CC3(C2)CC[N@H+](CC2CC2)C3)nc1Cl ZINC001164771035 721283490 /nfs/dbraw/zinc/28/34/90/721283490.db2.gz YQIOUWYPPPXGPZ-UHFFFAOYSA-N 1 0 385.842 2.989 20 0 GFADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4ncc(Cl)cc4F)C3)O2)CC1 ZINC001164888516 721386476 /nfs/dbraw/zinc/38/64/76/721386476.db2.gz JTHQXQMIWCUJLO-VQIMIIECSA-N 1 0 382.911 2.640 20 0 GFADRO Cc1ccc(Cl)c(N2CC[C@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)n1 ZINC001164887162 721393770 /nfs/dbraw/zinc/39/37/70/721393770.db2.gz HFMHJGPWAIHPMD-XLIONFOSSA-N 1 0 378.948 2.809 20 0 GFADRO Cc1cccc2ncc(N3CC[C@]4(C3)CCC[C@H](C[NH+]3CCN(C)CC3)O4)nc12 ZINC001164884119 721404856 /nfs/dbraw/zinc/40/48/56/721404856.db2.gz DDPLCXGWVMFVPI-XXBNENTESA-N 1 0 395.551 2.704 20 0 GFADRO CCCc1cc(N2CC[C@@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)nc(C)n1 ZINC001164883634 721422702 /nfs/dbraw/zinc/42/27/02/721422702.db2.gz BKRXVLQONWTTNK-RBBKRZOGSA-N 1 0 387.572 2.503 20 0 GFADRO CCOC(=O)c1c[nH]c2cc(N3C[C@@H]4CN(Cc5nccs5)C[C@H]4C3)[nH+]cc21 ZINC001164781271 721423305 /nfs/dbraw/zinc/42/33/05/721423305.db2.gz DAKGAKGMAOVWON-KBPBESRZSA-N 1 0 397.504 2.764 20 0 GFADRO CSc1cnc(N2CC[C@@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)c(C)c1 ZINC001164895844 721430150 /nfs/dbraw/zinc/43/01/50/721430150.db2.gz QHCOVOHTYWHCHH-GHTZIAJQSA-N 1 0 390.597 2.877 20 0 GFADRO Cc1ccc2ccnc(N3CCn4cc(CN5CC[NH+](C)CC5)nc4C3)c2c1 ZINC001164794173 721513097 /nfs/dbraw/zinc/51/30/97/721513097.db2.gz IVTLVCLHZUTRGT-UHFFFAOYSA-N 1 0 376.508 2.507 20 0 GFADRO COC(=O)c1ccnc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)c1C ZINC001164900126 721522702 /nfs/dbraw/zinc/52/27/02/721522702.db2.gz OGLSQMATFJAIEK-WMZOPIPTSA-N 1 0 385.439 2.658 20 0 GFADRO COC(=O)c1ccnc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)c1C ZINC001164900124 721522903 /nfs/dbraw/zinc/52/29/03/721522903.db2.gz OGLSQMATFJAIEK-SJLPKXTDSA-N 1 0 385.439 2.658 20 0 GFADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2c[nH]c3ncnc(Cl)c23)[C@H]2CCCO[C@@H]12 ZINC001164809028 721534118 /nfs/dbraw/zinc/53/41/18/721534118.db2.gz UCTJUTWEESRXII-YXJHDRRASA-N 1 0 398.898 2.826 20 0 GFADRO Fc1cccc(O[C@H]2C[C@H]3CN(c4cc(OCC5CC5)ncn4)CC[N@@H+]3C2)c1 ZINC001164907770 721540627 /nfs/dbraw/zinc/54/06/27/721540627.db2.gz OKUZWPAJXXOXLZ-HKUYNNGSSA-N 1 0 384.455 2.746 20 0 GFADRO Cc1noc(-c2ccc(N3CC[N@@H+]4C[C@@H](Oc5cccc(F)c5)C[C@@H]4C3)nc2)n1 ZINC001164906448 721556857 /nfs/dbraw/zinc/55/68/57/721556857.db2.gz JFBZKAITAPDURR-MJGOQNOKSA-N 1 0 395.438 2.921 20 0 GFADRO Cc1[nH]c2ncnc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@H]4OCCC[C@@H]43)c2c1C ZINC001164804720 721557610 /nfs/dbraw/zinc/55/76/10/721557610.db2.gz MNVJTEUMRKBOAZ-BJLQDIEVSA-N 1 0 392.507 2.838 20 0 GFADRO Fc1cccc(O[C@@H]2C[C@H]3CN(c4nccnc4OC4CCC4)CC[N@@H+]3C2)c1 ZINC001164910374 721562832 /nfs/dbraw/zinc/56/28/32/721562832.db2.gz WNAFYVBHINGGGU-QFBILLFUSA-N 1 0 384.455 2.889 20 0 GFADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc3ccc(Cl)nc3[nH]2)[C@H]2CCCO[C@H]12 ZINC001164806273 721571611 /nfs/dbraw/zinc/57/16/11/721571611.db2.gz PQKARDQEEGYJCR-JZXOWHBKSA-N 1 0 398.898 2.875 20 0 GFADRO O=C1Cc2cc(N3CCC(F)(F)[C@@]4(CC[N@H+](Cc5ccccn5)C4)C3)ncc2N1 ZINC001164903781 721587088 /nfs/dbraw/zinc/58/70/88/721587088.db2.gz CKUVRQGQWRXIDZ-HXUWFJFHSA-N 1 0 399.445 2.709 20 0 GFADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2ncnc3c(Cl)cccc32)CC1 ZINC001165007384 721733140 /nfs/dbraw/zinc/73/31/40/721733140.db2.gz CCOCJNJLEQQAIQ-UHFFFAOYSA-N 1 0 387.915 2.806 20 0 GFADRO CCc1cc2c(ncnc2N2CCCC23CC[NH+](CC(=O)N(C)C)CC3)s1 ZINC001165010672 721736607 /nfs/dbraw/zinc/73/66/07/721736607.db2.gz JWGQDEQTEIHFBW-UHFFFAOYSA-N 1 0 387.553 2.777 20 0 GFADRO CC(=O)Oc1cc2ncnc(N3CC[NH+](C4CCCC4)CC3)c2cc1OC(C)=O ZINC001165032684 721858352 /nfs/dbraw/zinc/85/83/52/721858352.db2.gz ZWIWWDWGBNPZFI-UHFFFAOYSA-N 1 0 398.463 2.545 20 0 GFADRO COc1cccc2c1nc(Cl)nc2N1CC[C@H]2[C@@H]1CC[N@@H+]2CCN(C)C ZINC001164926945 721862865 /nfs/dbraw/zinc/86/28/65/721862865.db2.gz TVFFYVQJFURTMK-GJZGRUSLSA-N 1 0 375.904 2.506 20 0 GFADRO CCc1nc2sc3c(c2c(N2CC[C@@H]4[C@@H]2CC[N@@H+]4CCN(C)C)n1)CCC3 ZINC001164931924 721878115 /nfs/dbraw/zinc/87/81/15/721878115.db2.gz GUAKEHCMMNEVSJ-CVEARBPZSA-N 1 0 385.581 2.957 20 0 GFADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4ncnc5ncn(C)c54)CC3)C2)cc1 ZINC001164940497 721922535 /nfs/dbraw/zinc/92/25/35/721922535.db2.gz RVGQBFNARBOGBK-UHFFFAOYSA-N 1 0 392.507 2.543 20 0 GFADRO COc1cc2ncnc(N3CC[NH+](CCOc4ccccc4)CC3)c2c(OC)c1 ZINC001165044905 721956630 /nfs/dbraw/zinc/95/66/30/721956630.db2.gz REJHZAJTVFVULS-UHFFFAOYSA-N 1 0 394.475 2.848 20 0 GFADRO Cn1cnc2c1nc(Cl)nc2N1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001164953683 722015948 /nfs/dbraw/zinc/01/59/48/722015948.db2.gz XBZGWKQDQLSBLK-UHFFFAOYSA-N 1 0 397.914 2.904 20 0 GFADRO CCc1cc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)nc(C)n1 ZINC001164961585 722057848 /nfs/dbraw/zinc/05/78/48/722057848.db2.gz MBYHFUQSJCULNV-UHFFFAOYSA-N 1 0 381.524 2.861 20 0 GFADRO O=C(c1cscn1)N1CC[C@@H]2[C@H]1CCN2c1ccc(C[NH+]2CCCC2)cn1 ZINC001164966029 722065285 /nfs/dbraw/zinc/06/52/85/722065285.db2.gz NNWBPQIUXBAQDR-QZTJIDSGSA-N 1 0 383.521 2.627 20 0 GFADRO Fc1cc2nc(Cl)c(N3C[C@@H]4C[N@@H+](CC5CC5)C[C@H](C3)O4)nc2cc1F ZINC001164967068 722070793 /nfs/dbraw/zinc/07/07/93/722070793.db2.gz GXTHRLSYPVDDCS-TXEJJXNPSA-N 1 0 380.826 2.861 20 0 GFADRO Cc1c[nH]c2nc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)ccc12 ZINC001164970944 722108526 /nfs/dbraw/zinc/10/85/26/722108526.db2.gz ATYRRHOKTBXFHB-ICSRJNTNSA-N 1 0 377.492 2.994 20 0 GFADRO Fc1cccc2c1ncnc2N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164973208 722112386 /nfs/dbraw/zinc/11/23/86/722112386.db2.gz GWGOKFOAVASBQN-FXAWDEMLSA-N 1 0 393.466 2.891 20 0 GFADRO Clc1cc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c2[nH]cnc2n1 ZINC001164971033 722113121 /nfs/dbraw/zinc/11/31/21/722113121.db2.gz BCNMQPGIJCJXIZ-RDJZCZTQSA-N 1 0 398.898 2.734 20 0 GFADRO CC(C)Oc1cccc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164983084 722125270 /nfs/dbraw/zinc/12/52/70/722125270.db2.gz YAVDCBMWJZUHOU-WOJBJXKFSA-N 1 0 382.508 2.991 20 0 GFADRO Clc1ccc2nc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)[nH]c2n1 ZINC001164978875 722134615 /nfs/dbraw/zinc/13/46/15/722134615.db2.gz KFPUSJDQFTXKLT-NVXWUHKLSA-N 1 0 398.898 2.734 20 0 GFADRO CC(C)(C)c1ccc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)nn1 ZINC001164976114 722142162 /nfs/dbraw/zinc/14/21/62/722142162.db2.gz HFRALWHDUPFAKH-MOPGFXCFSA-N 1 0 381.524 2.896 20 0 GFADRO O=C1COc2ccnc(N3CCC[C@]4(CC[N@H+]4Cc4cccc(F)c4)C3)c2N1 ZINC001164995257 722200153 /nfs/dbraw/zinc/20/01/53/722200153.db2.gz LTCZEENLHXVVDN-NRFANRHFSA-N 1 0 382.439 2.797 20 0 GFADRO Cc1cc2cccnc2c(N2CCCn3cnc(COCC[NH+](C)C)c3C2)n1 ZINC001165004708 722257340 /nfs/dbraw/zinc/25/73/40/722257340.db2.gz UULYZWDWKVHQMS-UHFFFAOYSA-N 1 0 380.496 2.623 20 0 GFADRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)Nc2nnc(C(F)(F)F)s2)C1 ZINC000472774127 531240478 /nfs/dbraw/zinc/24/04/78/531240478.db2.gz RQTVLZVBLCCDTP-JTQLQIEISA-N 1 0 381.424 2.522 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)Nc2nnc(C(F)(F)F)s2)CC[C@H]1C(F)(F)F ZINC000625837893 531916194 /nfs/dbraw/zinc/91/61/94/531916194.db2.gz PNHMNNYRIGDIAG-PHDIDXHHSA-N 1 0 377.314 2.548 20 0 GFADRO O=C(Nc1ccn(-c2cc[nH+]cc2)n1)[C@@H]1Cc2cc(Br)ccc2O1 ZINC000470931234 532539433 /nfs/dbraw/zinc/53/94/33/532539433.db2.gz JZCVZYWOKMKEBV-HNNXBMFYSA-N 1 0 385.221 2.972 20 0 GFADRO C[C@H]1C[C@H]([NH3+])CN1C(=O)Nc1ccc(-c2ccc(Br)s2)nn1 ZINC000632940975 532651575 /nfs/dbraw/zinc/65/15/75/532651575.db2.gz FFSULBXSJAGYHI-IUCAKERBSA-N 1 0 382.287 2.921 20 0 GFADRO CC[C@@H](C)c1ccccc1OCC(=O)N1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000359960718 212127944 /nfs/dbraw/zinc/12/79/44/212127944.db2.gz PPHPVTLASCWTAW-VQIMIIECSA-N 1 0 387.524 2.520 20 0 GFADRO CNS(=O)(=O)c1cccc(C[NH2+][C@@H]2CCCOc3cc(OC)ccc32)c1 ZINC000359962910 212127690 /nfs/dbraw/zinc/12/76/90/212127690.db2.gz XHNDQNSWMHYLMV-GOSISDBHSA-N 1 0 376.478 2.607 20 0 GFADRO Cc1nnc([C@H](NC(=O)NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)c2ccccc2)n1C ZINC000359959578 212127104 /nfs/dbraw/zinc/12/71/04/212127104.db2.gz WZCOBXXTEFMDIZ-JTDSTZFVSA-N 1 0 384.528 2.633 20 0 GFADRO COC(=O)CN(CCc1ccccc1)C(=O)C1CCN(c2cc[nH+]cc2C)CC1 ZINC000359877043 212121811 /nfs/dbraw/zinc/12/18/11/212121811.db2.gz VOAINKMSCWYVLP-UHFFFAOYSA-N 1 0 395.503 2.851 20 0 GFADRO CSc1cc2c(cc1C[NH2+][C@H]1CCN(c3ccccc3C(N)=O)C1)OCCO2 ZINC000359879838 212121506 /nfs/dbraw/zinc/12/15/06/212121506.db2.gz ZGQBKVFYZQSDCW-HNNXBMFYSA-N 1 0 399.516 2.647 20 0 GFADRO CCCCOCCCNC(=O)c1nnn(-c2cccc3c2CC[N@H+](C)C3)c1C ZINC000359911841 212124671 /nfs/dbraw/zinc/12/46/71/212124671.db2.gz WSTIHHWGQJJCST-UHFFFAOYSA-N 1 0 385.512 2.500 20 0 GFADRO COc1cccc([C@H](NC(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)c2nccn2C)c1 ZINC000359927279 212124701 /nfs/dbraw/zinc/12/47/01/212124701.db2.gz KSGHQUYUFRVNBU-PXNSSMCTSA-N 1 0 399.539 2.938 20 0 GFADRO C[NH+]1CCC(N(Cc2ccccc2F)C(=O)CSc2cccc[n+]2[O-])CC1 ZINC000359911219 212124402 /nfs/dbraw/zinc/12/44/02/212124402.db2.gz UATHDVJLWIGRNV-UHFFFAOYSA-N 1 0 389.496 2.674 20 0 GFADRO CCOc1cc(C[N@@H+]2CCOC[C@H](C)C2)ccc1OCC(=O)N1CCCCC1 ZINC000359872827 212120085 /nfs/dbraw/zinc/12/00/85/212120085.db2.gz KZLZLFHPSQQIBA-GOSISDBHSA-N 1 0 390.524 2.945 20 0 GFADRO C[C@H]([NH2+][C@H]1CCCN(S(C)(=O)=O)C1)c1cc(Br)ccc1F ZINC000400197768 563534177 /nfs/dbraw/zinc/53/41/77/563534177.db2.gz MVFDPBDMGWEKKT-JQWIXIFHSA-N 1 0 379.295 2.663 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCCN(S(C)(=O)=O)C1)c1ccc(F)cc1Br ZINC000400162970 563534437 /nfs/dbraw/zinc/53/44/37/563534437.db2.gz HJWNFAVKKVZESE-CMPLNLGQSA-N 1 0 379.295 2.663 20 0 GFADRO Cc1ccc(C(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)cc1NS(C)(=O)=O ZINC000053404454 222011527 /nfs/dbraw/zinc/01/15/27/222011527.db2.gz UTVTVMXHVONQRP-CQSZACIVSA-N 1 0 381.542 2.607 20 0 GFADRO Cc1cc(S(=O)(=O)N2CCCC[C@H]2C[NH+](C)C)sc1Br ZINC000405194508 563537749 /nfs/dbraw/zinc/53/77/49/563537749.db2.gz ZZCKEUNSELAFGX-NSHDSACASA-N 1 0 381.361 2.924 20 0 GFADRO C[C@H]1CN(C(=O)c2ccc(Cl)c(I)c2)C[C@H](C)[NH2+]1 ZINC000154190872 551469330 /nfs/dbraw/zinc/46/93/30/551469330.db2.gz AKVJNOCWXVONOK-IUCAKERBSA-N 1 0 378.641 2.767 20 0 GFADRO Clc1ccc(I)c(C[NH2+]CCCn2cncn2)c1 ZINC000405420810 563539306 /nfs/dbraw/zinc/53/93/06/563539306.db2.gz DEHYURLIGKWLEX-UHFFFAOYSA-N 1 0 376.629 2.716 20 0 GFADRO Cc1ccc(S(=O)(=O)N2CCC[C@@H](C)[C@H]2CC[NH3+])c(Br)c1 ZINC000405235585 563538643 /nfs/dbraw/zinc/53/86/43/563538643.db2.gz DIVHJSNGZYFTIH-TZMCWYRMSA-N 1 0 375.332 2.896 20 0 GFADRO O=C(Cc1ccccc1I)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000433936968 563624149 /nfs/dbraw/zinc/62/41/49/563624149.db2.gz OZQIPYUQSGRAMW-OAHLLOKOSA-N 1 0 398.288 2.921 20 0 GFADRO C[C@H]1[C@@H](CO)CCC[N@@H+]1CC(=O)N(C)Cc1cc(Br)cs1 ZINC000412061299 563646142 /nfs/dbraw/zinc/64/61/42/563646142.db2.gz AFHPJYFHLIPHIO-NWDGAFQWSA-N 1 0 375.332 2.562 20 0 GFADRO Cc1c(I)cccc1C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000363941275 563737712 /nfs/dbraw/zinc/73/77/12/563737712.db2.gz RIYPUCYOPQPNML-OLZOCXBDSA-N 1 0 384.261 2.956 20 0 GFADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)COc2cc(Cl)ccc2Cl)C1 ZINC000018356524 551113911 /nfs/dbraw/zinc/11/39/11/551113911.db2.gz COSLGYIOHMNZKH-CQSZACIVSA-N 1 0 375.296 2.845 20 0 GFADRO CCC[NH+]1CCC(NS(=O)(=O)c2ccc(C)cc2Br)CC1 ZINC000040432277 551134217 /nfs/dbraw/zinc/13/42/17/551134217.db2.gz HHEOPRFCMWMBLE-UHFFFAOYSA-N 1 0 375.332 2.910 20 0 GFADRO CC(C)C[C@@H](CNC(=O)C(=O)Nc1ccc(Br)cc1F)[NH+](C)C ZINC000041321708 551135393 /nfs/dbraw/zinc/13/53/93/551135393.db2.gz YNDCRHGZUURAHO-LBPRGKRZSA-N 1 0 388.281 2.619 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000041890991 551136608 /nfs/dbraw/zinc/13/66/08/551136608.db2.gz XGINSUGBURADQV-CYBMUJFWSA-N 1 0 394.313 2.605 20 0 GFADRO O=C(NCC1([NH+]2CCSCC2)CCCC1)C(=O)Nc1ccc(Cl)cc1 ZINC000041965139 551137182 /nfs/dbraw/zinc/13/71/82/551137182.db2.gz QJZVYIOZNKVKOM-UHFFFAOYSA-N 1 0 381.929 2.756 20 0 GFADRO CN(C(=O)CCNC(=O)Nc1ccc(Br)cc1)C1CC[NH+](C)CC1 ZINC000044821088 551144584 /nfs/dbraw/zinc/14/45/84/551144584.db2.gz ABHUZIRHUNJNSF-UHFFFAOYSA-N 1 0 397.317 2.513 20 0 GFADRO CC(C)C[NH+]1CCN(C(=O)[C@@H](C)NC(=O)c2cccc(Cl)c2Cl)CC1 ZINC000047774179 551153654 /nfs/dbraw/zinc/15/36/54/551153654.db2.gz APLOFEUJUMAQDD-CYBMUJFWSA-N 1 0 386.323 2.912 20 0 GFADRO CC1CC[NH+](CCCNC(=O)C(=O)Nc2ccccc2Br)CC1 ZINC000049298535 551158426 /nfs/dbraw/zinc/15/84/26/551158426.db2.gz HWNZRHBYUGHBGD-UHFFFAOYSA-N 1 0 382.302 2.626 20 0 GFADRO CC(C)[C@@H](CNS(=O)(=O)c1ccc(Cl)c(Cl)c1)N1CC[NH+](C)CC1 ZINC000049736933 551159576 /nfs/dbraw/zinc/15/95/76/551159576.db2.gz OCPFYMWANOPKOP-MRXNPFEDSA-N 1 0 394.368 2.544 20 0 GFADRO CN(CC(=O)Nc1cccc(C[NH+](C)C)c1)C(=O)c1ccc(Br)o1 ZINC000054774167 551170306 /nfs/dbraw/zinc/17/03/06/551170306.db2.gz FQLTWYNUZYGQKM-UHFFFAOYSA-N 1 0 394.269 2.814 20 0 GFADRO C[NH+](C)CCOc1ccc(CNS(=O)(=O)c2ccc(Cl)cc2F)cc1 ZINC000055246500 551172248 /nfs/dbraw/zinc/17/22/48/551172248.db2.gz MDFDTYPZOOULTJ-UHFFFAOYSA-N 1 0 386.876 2.898 20 0 GFADRO C[C@@H](Oc1ccc(F)cc1Br)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000055673535 551174411 /nfs/dbraw/zinc/17/44/11/551174411.db2.gz VGUAUIPSVMRFCL-GFCCVEGCSA-N 1 0 385.277 2.910 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(-n2cc(Br)cn2)cc1 ZINC000057553976 551180912 /nfs/dbraw/zinc/18/09/12/551180912.db2.gz XKQXTYXFBQSCKU-CQSZACIVSA-N 1 0 375.270 2.601 20 0 GFADRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1)c1cccc(Cl)c1 ZINC000057679612 551181392 /nfs/dbraw/zinc/18/13/92/551181392.db2.gz RCYIBMHISXOCJQ-NEPJUHHUSA-N 1 0 381.885 2.665 20 0 GFADRO Cn1cc(C[N@H+](C)C[C@@H](O)COc2ccc(Cl)cc2Br)cn1 ZINC000066411450 551187266 /nfs/dbraw/zinc/18/72/66/551187266.db2.gz JWLCJMIJIROILE-CYBMUJFWSA-N 1 0 388.693 2.708 20 0 GFADRO CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccc(Br)c(C)c2)C1 ZINC000067393869 551188427 /nfs/dbraw/zinc/18/84/27/551188427.db2.gz GCLXTEMXVNXLET-ZDUSSCGKSA-N 1 0 382.302 2.544 20 0 GFADRO O[C@@H](C[NH2+]Cc1ccc(Br)cc1)COc1ccc2c(c1)OCO2 ZINC000067976036 551190782 /nfs/dbraw/zinc/19/07/82/551190782.db2.gz AUTSHPOTQYOSES-AWEZNQCLSA-N 1 0 380.238 2.707 20 0 GFADRO CCC[NH+]1CCC(NS(=O)(=O)c2ccc(OC)c(Br)c2)CC1 ZINC000104908233 551198935 /nfs/dbraw/zinc/19/89/35/551198935.db2.gz YPXBGKLEUZCCHZ-UHFFFAOYSA-N 1 0 391.331 2.610 20 0 GFADRO Cc1cc(I)ccc1NC(=O)C[N@@H+](C[C@@H](C)O)C(C)C ZINC000107043744 551201475 /nfs/dbraw/zinc/20/14/75/551201475.db2.gz YLMLKXNYXSADJT-GFCCVEGCSA-N 1 0 390.265 2.629 20 0 GFADRO NC(=O)c1cc(Cl)nnc1N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000110101051 551202419 /nfs/dbraw/zinc/20/24/19/551202419.db2.gz GWMWVGITUHQACW-UHFFFAOYSA-N 1 0 380.279 2.595 20 0 GFADRO CCC[N@@H+]1CCC[C@H]1C(=O)NCC(=O)Nc1ccc(Br)cc1C ZINC000115848494 551210124 /nfs/dbraw/zinc/21/01/24/551210124.db2.gz CWCAXSLUQGYCJN-HNNXBMFYSA-N 1 0 382.302 2.687 20 0 GFADRO Cc1ccc(NC(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cc1Br ZINC000120359836 551219995 /nfs/dbraw/zinc/21/99/95/551219995.db2.gz QFLJCOVBAPGSSX-XJKSGUPXSA-N 1 0 394.313 2.639 20 0 GFADRO COC(=O)CC1([NH2+]CC(=O)Nc2cccc(Cl)c2Cl)CCOCC1 ZINC000120413935 551221159 /nfs/dbraw/zinc/22/11/59/551221159.db2.gz ZSPUUDIOCDSTOY-UHFFFAOYSA-N 1 0 375.252 2.634 20 0 GFADRO Cc1cc(Br)cc(Cl)c1NC(=O)C(=O)N(C)CCC[NH+](C)C ZINC000120966518 551223614 /nfs/dbraw/zinc/22/36/14/551223614.db2.gz ISIRNENIEWOXIP-UHFFFAOYSA-N 1 0 390.709 2.760 20 0 GFADRO C[C@@H](Cc1ccc(Cl)cc1)[N@H+](C)CCOc1ccc(S(N)(=O)=O)cc1 ZINC000121005138 551225099 /nfs/dbraw/zinc/22/50/99/551225099.db2.gz PZWXJWFDOSNXCX-AWEZNQCLSA-N 1 0 382.913 2.929 20 0 GFADRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)N1CCN(Cc2ccc(Cl)s2)CC1 ZINC000121152694 551228097 /nfs/dbraw/zinc/22/80/97/551228097.db2.gz PAADVEHTGDWHEK-AWEZNQCLSA-N 1 0 382.961 2.713 20 0 GFADRO COC(=O)CCN1CCN(C(=O)Nc2cccc(Br)c2)[C@H](C)C1 ZINC000121177358 551228744 /nfs/dbraw/zinc/22/87/44/551228744.db2.gz WOOCLGNNDOFZSE-GFCCVEGCSA-N 1 0 384.274 2.550 20 0 GFADRO C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CCOC[C@H]1CCCO1 ZINC000121175738 551228808 /nfs/dbraw/zinc/22/88/08/551228808.db2.gz UUIZODBKQMMDDN-XJKSGUPXSA-N 1 0 385.302 2.951 20 0 GFADRO C[C@H](CNC(=O)[C@@H](C)Oc1ccc(Cl)c(Cl)c1)C[NH+]1CCN(C)CC1 ZINC000121771093 551242328 /nfs/dbraw/zinc/24/23/28/551242328.db2.gz DSZSLVVJSXOUSJ-ZIAGYGMSSA-N 1 0 388.339 2.760 20 0 GFADRO Cc1ccc(NC(=O)C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)cc1Br ZINC000122089848 551294615 /nfs/dbraw/zinc/29/46/15/551294615.db2.gz JSHIOHVJAFRDCH-XJKSGUPXSA-N 1 0 394.313 2.639 20 0 GFADRO C[NH+](C)[C@H]1CC[C@@H](NC(=O)Nc2cc(Br)cnc2-n2cccn2)C1 ZINC000122549862 551299532 /nfs/dbraw/zinc/29/95/32/551299532.db2.gz GUYXLBGRSVNQDQ-OLZOCXBDSA-N 1 0 393.289 2.634 20 0 GFADRO CSCC[C@H]([NH3+])C(=O)N[C@H](C)c1nc(-c2ccc(Br)cc2)no1 ZINC000122558769 551300203 /nfs/dbraw/zinc/30/02/03/551300203.db2.gz NYNPCIRIJQGZHO-SKDRFNHKSA-N 1 0 399.314 2.757 20 0 GFADRO C[C@@H]1C[C@H](N(C)CC(=O)N(C)Cc2cc(Br)cs2)CC[N@@H+]1C ZINC000123368586 551306085 /nfs/dbraw/zinc/30/60/85/551306085.db2.gz FXLIVXJXGYXPJA-TZMCWYRMSA-N 1 0 388.375 2.884 20 0 GFADRO Cc1cc(S(=O)(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)sc1Br ZINC000123636950 551307778 /nfs/dbraw/zinc/30/77/78/551307778.db2.gz HMSSGNXGOUHWEG-LBPRGKRZSA-N 1 0 393.372 2.972 20 0 GFADRO COc1cc(C(=O)NCCC[NH2+]Cc2cccnc2)sc1Br ZINC000124370174 551313820 /nfs/dbraw/zinc/31/38/20/551313820.db2.gz OKYZSCKSGVQLPI-UHFFFAOYSA-N 1 0 384.299 2.824 20 0 GFADRO CC[NH+]1CCN(CCCNC(=O)c2cc3cc(Br)ccc3[nH]2)CC1 ZINC000124907452 551319113 /nfs/dbraw/zinc/31/91/13/551319113.db2.gz ADAJSWOVUSJKAX-UHFFFAOYSA-N 1 0 393.329 2.688 20 0 GFADRO O=C(NCCc1cc(Br)ccc1F)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000125079019 551319578 /nfs/dbraw/zinc/31/95/78/551319578.db2.gz DIKONOVMTBLAFP-GFCCVEGCSA-N 1 0 384.293 2.914 20 0 GFADRO COc1ccc(Br)cc1C(=O)CCC(=O)N(C)C1CC[NH2+]CC1 ZINC000125494173 551322111 /nfs/dbraw/zinc/32/21/11/551322111.db2.gz XUHQIIJFPBHTFI-UHFFFAOYSA-N 1 0 383.286 2.631 20 0 GFADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)NCc3ccc(O)c(Br)c3)CC[C@@H]21 ZINC000126129204 551326318 /nfs/dbraw/zinc/32/63/18/551326318.db2.gz UKTXMSMVNLDHOP-HIFRSBDPSA-N 1 0 382.302 2.780 20 0 GFADRO C[C@H](NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1ccc(Br)cc1F ZINC000126729668 551331962 /nfs/dbraw/zinc/33/19/62/551331962.db2.gz YIDRAKSEQBADMN-STQMWFEESA-N 1 0 386.309 2.826 20 0 GFADRO CC(=O)N1CC[C@@H]([NH2+]Cc2cn(-c3ccc(Br)cc3)nc2C)C1 ZINC000126718670 551332027 /nfs/dbraw/zinc/33/20/27/551332027.db2.gz KHWDEUCPWDVBQZ-MRXNPFEDSA-N 1 0 377.286 2.654 20 0 GFADRO C[C@@H]([NH2+]C1CCN(S(C)(=O)=O)CC1)c1ccc(Br)cc1F ZINC000126736214 551332389 /nfs/dbraw/zinc/33/23/89/551332389.db2.gz AAFZHKSVEPDRRO-SNVBAGLBSA-N 1 0 379.295 2.663 20 0 GFADRO CC[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2cc(C)ccc2Br)C1 ZINC000126982343 551335688 /nfs/dbraw/zinc/33/56/88/551335688.db2.gz KPAMHTKHXXNVCG-ZDUSSCGKSA-N 1 0 375.332 2.768 20 0 GFADRO CCOc1ccc(Br)cc1C[N@H+](CCC(=O)NC(=O)NC)C1CC1 ZINC000127055865 551336016 /nfs/dbraw/zinc/33/60/16/551336016.db2.gz GVEARLYLAZIKDX-UHFFFAOYSA-N 1 0 398.301 2.658 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)N2CCN(Cc3ccc(Cl)s3)CC2)C[N@@H+]1C1CC1 ZINC000127628341 551342374 /nfs/dbraw/zinc/34/23/74/551342374.db2.gz DNUGHSPUOGXTEM-ZIAGYGMSSA-N 1 0 382.961 2.854 20 0 GFADRO COC(=O)[C@@H](c1cc(Cl)cc(Cl)c1)N1CCC([N@H+](C)CCCO)CC1 ZINC000128014988 551345494 /nfs/dbraw/zinc/34/54/94/551345494.db2.gz BMSVICBHMLQGDZ-QGZVFWFLSA-N 1 0 389.323 2.986 20 0 GFADRO Cc1cc(CC(=O)N(CC[NH+](C)C)Cc2ccc(Br)cc2)[nH]n1 ZINC000128929034 551353855 /nfs/dbraw/zinc/35/38/55/551353855.db2.gz CODNEHHHGFLBIH-UHFFFAOYSA-N 1 0 379.302 2.614 20 0 GFADRO COC(=O)CCc1csc(NC(=O)NC[C@H](c2cccs2)[NH+](C)C)n1 ZINC000129615022 551358372 /nfs/dbraw/zinc/35/83/72/551358372.db2.gz IHXFYNGFZOFSOZ-GFCCVEGCSA-N 1 0 382.511 2.735 20 0 GFADRO O=C(NC[C@H]1CCCC[NH2+]1)[C@@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1 ZINC000130709418 551368134 /nfs/dbraw/zinc/36/81/34/551368134.db2.gz QLDQHSBZRKJADV-CJNGLKHVSA-N 1 0 384.307 2.856 20 0 GFADRO O[C@H](C[NH2+]Cc1cn2ccccc2n1)COc1ccccc1Br ZINC000130961193 551370537 /nfs/dbraw/zinc/37/05/37/551370537.db2.gz XXRNZIBQSFAQBL-CQSZACIVSA-N 1 0 376.254 2.626 20 0 GFADRO CCS(=O)(=O)NCCC[N@@H+]1CCC[C@@H]1c1cccc(Br)c1 ZINC000131533164 551374850 /nfs/dbraw/zinc/37/48/50/551374850.db2.gz DIGOQRARCFTJJR-OAHLLOKOSA-N 1 0 375.332 2.915 20 0 GFADRO COc1cc([C@@H](C)NCC(C)(C)C[NH+](C)C)ccc1S(=O)(=O)C(F)F ZINC000132146122 551377676 /nfs/dbraw/zinc/37/76/76/551377676.db2.gz SHXIITNURFHDGA-GFCCVEGCSA-N 1 0 378.485 2.930 20 0 GFADRO OCC[C@]1(C[NH2+]Cc2nc(-c3cccc(Br)c3)c[nH]2)CCOC1 ZINC000134434402 551385898 /nfs/dbraw/zinc/38/58/98/551385898.db2.gz MFHPQOVWHKZKGC-QGZVFWFLSA-N 1 0 380.286 2.718 20 0 GFADRO COC[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(I)cc1)C1CC1 ZINC000136666652 551389781 /nfs/dbraw/zinc/38/97/81/551389781.db2.gz DGWXPEWBSBOXNX-IINYFYTJSA-N 1 0 388.249 2.633 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000137011732 551390422 /nfs/dbraw/zinc/39/04/22/551390422.db2.gz OGNGEWWFRILTAO-AWEZNQCLSA-N 1 0 394.313 2.592 20 0 GFADRO C[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000139777870 551392673 /nfs/dbraw/zinc/39/26/73/551392673.db2.gz NSWAROYZTOZQNS-WMLDXEAASA-N 1 0 395.345 2.669 20 0 GFADRO O=S(=O)(C1CCOCC1)N1CCC([NH2+]Cc2cccc(Cl)c2F)CC1 ZINC000150947393 551404198 /nfs/dbraw/zinc/40/41/98/551404198.db2.gz FDYLEHUDWMEMPT-UHFFFAOYSA-N 1 0 390.908 2.542 20 0 GFADRO C[C@@H]([NH2+]CCSCCCO)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000151237151 551409634 /nfs/dbraw/zinc/40/96/34/551409634.db2.gz DTMVTRHZCDJPQI-MRXNPFEDSA-N 1 0 386.583 2.627 20 0 GFADRO O=C(Cc1cc(F)ccc1Br)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000151440943 551413790 /nfs/dbraw/zinc/41/37/90/551413790.db2.gz LGZJEMHQUSHBHL-CYBMUJFWSA-N 1 0 399.304 2.748 20 0 GFADRO CCN(CCC[NH2+][C@@H]1CCc2c1cccc2Br)S(C)(=O)=O ZINC000151824173 551422083 /nfs/dbraw/zinc/42/20/83/551422083.db2.gz CUYYOCCARZEENC-OAHLLOKOSA-N 1 0 375.332 2.698 20 0 GFADRO Cc1cc(COc2ccc(C(=O)NC(C)(C)C[NH3+])cc2Br)on1 ZINC000151856758 551422545 /nfs/dbraw/zinc/42/25/45/551422545.db2.gz RFLLMQOXVPKNPO-UHFFFAOYSA-N 1 0 382.258 2.792 20 0 GFADRO C[NH+](C)[C@@H]1CCCN(C(=O)c2ccc(F)c(I)c2)C1 ZINC000151852901 551422551 /nfs/dbraw/zinc/42/25/51/551422551.db2.gz RLNGEHZXPWMDLB-LLVKDONJSA-N 1 0 376.213 2.597 20 0 GFADRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+][C@@H](C)c2ccc([S@](C)=O)cc2)cc1 ZINC000151909767 551422908 /nfs/dbraw/zinc/42/29/08/551422908.db2.gz KPUMAXAIDSNYLE-POUGUFFASA-N 1 0 380.535 2.744 20 0 GFADRO Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)[C@H](C)N1CCSCC1 ZINC000151902834 551423141 /nfs/dbraw/zinc/42/31/41/551423141.db2.gz DOFIGAAKBBZTOY-INIZCTEOSA-N 1 0 379.595 2.920 20 0 GFADRO O=C(NCCCC[N@H+]1CCC[C@@H]1CO)[C@@H]1C[C@@H]1c1cccc(Br)c1 ZINC000152151817 551427633 /nfs/dbraw/zinc/42/76/33/551427633.db2.gz LMMSOUULVACPGY-KZNAEPCWSA-N 1 0 395.341 2.906 20 0 GFADRO CC1CC[NH+](CCNC(=O)Nc2ccc(NS(C)(=O)=O)c(Cl)c2)CC1 ZINC000152164981 551427738 /nfs/dbraw/zinc/42/77/38/551427738.db2.gz HSXNOWGYAXYKHS-UHFFFAOYSA-N 1 0 388.921 2.565 20 0 GFADRO Cc1ccc(Br)c(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)c1 ZINC000152445920 551432875 /nfs/dbraw/zinc/43/28/75/551432875.db2.gz ILDJBEWCVXHDBV-CYBMUJFWSA-N 1 0 394.313 2.829 20 0 GFADRO Cc1sc(C(=O)NC2CC[NH+](C3CCCC3)CC2)cc1CS(C)(=O)=O ZINC000152537465 551434810 /nfs/dbraw/zinc/43/48/10/551434810.db2.gz PFDOGYMXFAPPHP-UHFFFAOYSA-N 1 0 384.567 2.738 20 0 GFADRO CCSCC[C@@H](C)[NH2+][C@H](C)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000152800871 551439937 /nfs/dbraw/zinc/43/99/37/551439937.db2.gz SMEQEMKZTMIRHB-HZPDHXFCSA-N 1 0 386.583 2.890 20 0 GFADRO C[NH+](C)CC1CCC(NC(=O)c2cncc(I)c2)CC1 ZINC000152826487 551440569 /nfs/dbraw/zinc/44/05/69/551440569.db2.gz JFHLRDWIVPXATC-UHFFFAOYSA-N 1 0 387.265 2.536 20 0 GFADRO C[N@@H+]1CC[C@H]2[C@H](CCCN2S(=O)(=O)Cc2ccc(Br)cc2)C1 ZINC000152852403 551441328 /nfs/dbraw/zinc/44/13/28/551441328.db2.gz JFMIADBWRLDVEX-ZBFHGGJFSA-N 1 0 387.343 2.695 20 0 GFADRO CCSCC[C@@H](C)[NH2+][C@H](C)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000152862951 551441667 /nfs/dbraw/zinc/44/16/67/551441667.db2.gz BPIMUNKOQRGNMK-HZPDHXFCSA-N 1 0 386.583 2.890 20 0 GFADRO O=C(NCCC[NH+]1CCC(O)CC1)c1c[nH]c2cccc(Br)c12 ZINC000153125658 551446837 /nfs/dbraw/zinc/44/68/37/551446837.db2.gz GRNVQSLOGLBXBQ-UHFFFAOYSA-N 1 0 380.286 2.507 20 0 GFADRO CCc1nc(C(=O)N2C[C@@H](C)[NH2+][C@H](C)C2)nn1-c1c(Cl)cccc1Cl ZINC000153389210 551451672 /nfs/dbraw/zinc/45/16/72/551451672.db2.gz PSMCRHIWBJGLJW-GHMZBOCLSA-N 1 0 382.295 2.959 20 0 GFADRO CC(C)n1cnc(S(=O)(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)c1 ZINC000153528893 551454968 /nfs/dbraw/zinc/45/49/68/551454968.db2.gz AIBHFVYNNOBLGE-YOEHRIQHSA-N 1 0 382.555 2.887 20 0 GFADRO Brc1cc2c(c(CN3CC[C@H](C[NH+]4CCOCC4)C3)c1)OCC2 ZINC000153958344 551464165 /nfs/dbraw/zinc/46/41/65/551464165.db2.gz IFUXVMPMUASJDJ-CQSZACIVSA-N 1 0 381.314 2.538 20 0 GFADRO O=C(NCCCCC[NH+]1CCCCC1)C(=O)Nc1cncc(Br)c1 ZINC000154045058 551465965 /nfs/dbraw/zinc/46/59/65/551465965.db2.gz KNRNJRRILRRBJC-UHFFFAOYSA-N 1 0 397.317 2.555 20 0 GFADRO C[C@@H](NC[C@H](O)C[NH+](C)C)c1ccc(Br)cc1Br ZINC000154299373 551471646 /nfs/dbraw/zinc/47/16/46/551471646.db2.gz NQNYNUJFPJFPKV-KOLCDFICSA-N 1 0 380.124 2.785 20 0 GFADRO O=C(NCCNc1ncc(Cl)cc1Cl)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC000154575556 551478302 /nfs/dbraw/zinc/47/83/02/551478302.db2.gz DCCNHGPWTWZBKA-HNNXBMFYSA-N 1 0 387.311 2.560 20 0 GFADRO CCN(CC)S(=O)(=O)CC[NH2+][C@@H]1CCc2c1cc(Br)cc2F ZINC000154756289 551482152 /nfs/dbraw/zinc/48/21/52/551482152.db2.gz XTDWRMQBUIJHCS-OAHLLOKOSA-N 1 0 393.322 2.837 20 0 GFADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)NC1(c2cccc(Br)c2)CC1 ZINC000154928666 551485745 /nfs/dbraw/zinc/48/57/45/551485745.db2.gz ZRFJUACZZLUELQ-MRXNPFEDSA-N 1 0 396.329 2.848 20 0 GFADRO Cc1cccc(S(=O)(=O)NC[C@H](C)C[NH+]2CCCC2)c1Br ZINC000155390461 551499012 /nfs/dbraw/zinc/49/90/12/551499012.db2.gz MWHUZAQUPQFYQF-LBPRGKRZSA-N 1 0 375.332 2.768 20 0 GFADRO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2cc(Br)c3c(c2)OCCO3)C1 ZINC000155432243 551499870 /nfs/dbraw/zinc/49/98/70/551499870.db2.gz KBTWKZCHFQIAAG-RISCZKNCSA-N 1 0 383.286 2.679 20 0 GFADRO CCCC[N@H+](C)CCNC(=O)C(=O)Nc1ccc(Cl)c(Br)c1 ZINC000155597044 551503346 /nfs/dbraw/zinc/50/33/46/551503346.db2.gz QNQZFVGSBYRESG-UHFFFAOYSA-N 1 0 390.709 2.889 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1cncc(I)c1 ZINC000156033523 551513330 /nfs/dbraw/zinc/51/33/30/551513330.db2.gz OWDXCMVLSSEFOC-GFCCVEGCSA-N 1 0 387.265 2.681 20 0 GFADRO CCS(=O)(=O)N(C)CCC[NH2+][C@@H]1CCc2ccc(OC(F)(F)F)cc21 ZINC000156923488 551530899 /nfs/dbraw/zinc/53/08/99/551530899.db2.gz VCSXFCNLVSAXKB-OAHLLOKOSA-N 1 0 380.432 2.834 20 0 GFADRO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)Nc1ccc(Br)cc1 ZINC000157607044 551539865 /nfs/dbraw/zinc/53/98/65/551539865.db2.gz JFGCOFHFSKCHSN-UHFFFAOYSA-N 1 0 383.334 2.939 20 0 GFADRO CCOCCO[C@H]1CCN([C@H](C)C(=O)Nc2ccc(Br)cc2)C1 ZINC000157766619 551542275 /nfs/dbraw/zinc/54/22/75/551542275.db2.gz ZYZNUKBLFMSZJI-CJNGLKHVSA-N 1 0 385.302 2.904 20 0 GFADRO CCOCCO[C@H]1CC[N@H+](C[C@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000157867443 551543983 /nfs/dbraw/zinc/54/39/83/551543983.db2.gz BQWJSHBKSJCTJS-KBPBESRZSA-N 1 0 378.296 2.861 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)N[C@](C)(C[NH3+])C(C)C ZINC000158172748 551547986 /nfs/dbraw/zinc/54/79/86/551547986.db2.gz AKOSCTRRASNYHC-KBXCAEBGSA-N 1 0 386.583 2.841 20 0 GFADRO C[C@@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+]C[C@@]1(O)CCSC1 ZINC000158267172 551549667 /nfs/dbraw/zinc/54/96/67/551549667.db2.gz YKGUQGFUSIUNNS-NHYWBVRUSA-N 1 0 378.416 2.760 20 0 GFADRO COCC[C@H](Cc1cccc(Br)c1)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000158513929 551552869 /nfs/dbraw/zinc/55/28/69/551552869.db2.gz QADXIJJDMIOSLR-VQIMIIECSA-N 1 0 395.341 2.856 20 0 GFADRO C[C@H](Cn1cc(Br)cn1)[NH2+]C[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000158705235 551555409 /nfs/dbraw/zinc/55/54/09/551555409.db2.gz BGRUNOJWPWKQMY-CRAIPNDOSA-N 1 0 393.329 2.525 20 0 GFADRO CN(CC1CC[NH+](C)CC1)C(=O)c1cc(=O)[nH]c2ccc(Br)cc21 ZINC000158911915 551558502 /nfs/dbraw/zinc/55/85/02/551558502.db2.gz WOPXUSNEASUDJP-UHFFFAOYSA-N 1 0 392.297 2.704 20 0 GFADRO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000159071375 551560992 /nfs/dbraw/zinc/56/09/92/551560992.db2.gz YQPUCASVDNFSEA-GOSISDBHSA-N 1 0 391.265 2.690 20 0 GFADRO C[C@@H]1CCN(C(=O)Nc2ccc(F)cc2I)C[C@@H]1C[NH3+] ZINC000415251357 563764215 /nfs/dbraw/zinc/76/42/15/563764215.db2.gz MVGYTMSMEISFDU-ZJUUUORDSA-N 1 0 391.228 2.879 20 0 GFADRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)c2cccc(I)c2)C1 ZINC000161754665 551598118 /nfs/dbraw/zinc/59/81/18/551598118.db2.gz SAPWIBXMJHAECB-ZDUSSCGKSA-N 1 0 386.277 2.999 20 0 GFADRO COc1ccc(CC[NH2+][C@H](C(N)=O)c2cccc(Br)c2)cc1OC ZINC000161805218 551598967 /nfs/dbraw/zinc/59/89/67/551598967.db2.gz AKXNCQVANDIXSX-KRWDZBQOSA-N 1 0 393.281 2.825 20 0 GFADRO CN1CCN(C(=O)c2csc(-c3ccc(Cl)cc3Cl)n2)[C@@H](C[NH3+])C1 ZINC000162276316 551606151 /nfs/dbraw/zinc/60/61/51/551606151.db2.gz QRGSLTVASHHMFW-NSHDSACASA-N 1 0 385.320 2.832 20 0 GFADRO O=S(=O)(Cc1ccon1)NCC[NH2+][C@H]1CCSc2c(Cl)cccc21 ZINC000162420762 551607618 /nfs/dbraw/zinc/60/76/18/551607618.db2.gz DDDXMSXNLWSIRP-AWEZNQCLSA-N 1 0 387.914 2.574 20 0 GFADRO C[C@H]([NH2+]CCNS(=O)(=O)Cc1ccon1)c1cc(Cl)cc(Cl)c1 ZINC000162421306 551607949 /nfs/dbraw/zinc/60/79/49/551607949.db2.gz ZSGRITAMMKMLDF-JTQLQIEISA-N 1 0 378.281 2.752 20 0 GFADRO COC(=O)[C@@H]1CCCCC[C@@H]1[NH2+][C@H](C(N)=O)c1ccc(Br)cc1 ZINC000162481957 551609028 /nfs/dbraw/zinc/60/90/28/551609028.db2.gz LXMVWYOPDLJMDX-ILXRZTDVSA-N 1 0 383.286 2.687 20 0 GFADRO CCCC[C@@H](C[NH3+])NC(=O)c1ccc(OC)cc1I ZINC000162747302 551612204 /nfs/dbraw/zinc/61/22/04/551612204.db2.gz IQUTYHMYBZBQCX-JTQLQIEISA-N 1 0 376.238 2.547 20 0 GFADRO Cc1nccn1CCCC[NH+]1CCN(c2ccc(Br)cn2)CC1 ZINC000162807977 551613020 /nfs/dbraw/zinc/61/30/20/551613020.db2.gz IBTTUULMFCXFNQ-UHFFFAOYSA-N 1 0 378.318 2.951 20 0 GFADRO C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+]C[C@H]1CCN(CC(F)(F)F)C1 ZINC000163089343 551616349 /nfs/dbraw/zinc/61/63/49/551616349.db2.gz UPMSHQBHKZEPAH-VXGBXAGGSA-N 1 0 378.826 2.926 20 0 GFADRO CC(C)(C)[C@H]([NH3+])C(=O)N1CCC(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000163222726 551617800 /nfs/dbraw/zinc/61/78/00/551617800.db2.gz FPGHCTWCXAYQNA-OAHLLOKOSA-N 1 0 396.329 3.000 20 0 GFADRO COCCNC(=O)[C@H]1CC[C@H](C)[N@H+](Cc2sccc2Br)C1 ZINC000166094532 551630825 /nfs/dbraw/zinc/63/08/25/551630825.db2.gz DICORUMPJPACRI-RYUDHWBXSA-N 1 0 375.332 2.874 20 0 GFADRO C[C@@H](C[NH+](C)C)NS(=O)(=O)c1c(Cl)cc(Br)cc1Cl ZINC000169120946 551634510 /nfs/dbraw/zinc/63/45/10/551634510.db2.gz WKACCASOGYUBMB-ZETCQYMHSA-N 1 0 390.130 2.984 20 0 GFADRO Cc1c(Br)cccc1NC(=O)C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000170701778 551637707 /nfs/dbraw/zinc/63/77/07/551637707.db2.gz ZOKBHETWTXWEFC-UHFFFAOYSA-N 1 0 394.313 2.783 20 0 GFADRO COc1cc(C[NH2+]Cc2c[nH]nc2C)cc(I)c1OC ZINC000171384331 551654637 /nfs/dbraw/zinc/65/46/37/551654637.db2.gz YHJSSDKGKHSZEF-UHFFFAOYSA-N 1 0 387.221 2.630 20 0 GFADRO Cc1cccc(C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)c1I ZINC000171441098 551655629 /nfs/dbraw/zinc/65/56/29/551655629.db2.gz IROTWDCHSARQKB-CYBMUJFWSA-N 1 0 384.261 2.910 20 0 GFADRO O=C(Nc1cc(Cl)cc(Cl)c1)[C@H]1CCC[N@H+]1C[C@H](O)Cn1cccn1 ZINC000171637493 551659682 /nfs/dbraw/zinc/65/96/82/551659682.db2.gz JZEJILGTWCQXHI-JKSUJKDBSA-N 1 0 383.279 2.654 20 0 GFADRO CCC[N@@H+](CC(=O)Nc1cc(Cl)ccc1Cl)C[C@@H](O)Cn1cccn1 ZINC000171636936 551659782 /nfs/dbraw/zinc/65/97/82/551659782.db2.gz TWRKDIJUQIIGDB-CQSZACIVSA-N 1 0 385.295 2.902 20 0 GFADRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(Cc2ccc(Br)cn2)CC1 ZINC000171972530 551667955 /nfs/dbraw/zinc/66/79/55/551667955.db2.gz MNSIQUJKWDCKOG-IYBDPMFKSA-N 1 0 381.362 2.835 20 0 GFADRO O=C(c1cc(I)c[nH]1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000172418681 551678802 /nfs/dbraw/zinc/67/88/02/551678802.db2.gz PXXBLIJZNUHVNN-UHFFFAOYSA-N 1 0 387.265 2.710 20 0 GFADRO O=C(Cc1ccc(Br)s1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000172460917 551679336 /nfs/dbraw/zinc/67/93/36/551679336.db2.gz PRNGFVLDSPPSJZ-UHFFFAOYSA-N 1 0 387.343 2.624 20 0 GFADRO O=C(c1n[nH]c2ccc(Br)cc21)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000172588979 551682389 /nfs/dbraw/zinc/68/23/89/551682389.db2.gz OUNHWIKTXFKZPA-LBPRGKRZSA-N 1 0 377.286 2.883 20 0 GFADRO C[N@H+](CCCO)C1CCN(C(=O)Nc2ccc(Br)cc2F)CC1 ZINC000172654114 551684214 /nfs/dbraw/zinc/68/42/14/551684214.db2.gz UTSIMWBGMRWHSZ-UHFFFAOYSA-N 1 0 388.281 2.899 20 0 GFADRO CN1CCC(CNC(=O)c2coc(Br)c2)([NH+]2CCCCC2)CC1 ZINC000172752243 551686297 /nfs/dbraw/zinc/68/62/97/551686297.db2.gz XIKCVSJZCOUCFV-UHFFFAOYSA-N 1 0 384.318 2.722 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(Br)c(Cl)c2)C1 ZINC000415454144 563776837 /nfs/dbraw/zinc/77/68/37/563776837.db2.gz ZWEPZUZCGPRECZ-NXEZZACHSA-N 1 0 388.693 2.627 20 0 GFADRO C[C@H](CCC[NH3+])NC(=O)C(=O)Nc1ccc(Br)cc1C(F)(F)F ZINC000415756799 563794185 /nfs/dbraw/zinc/79/41/85/563794185.db2.gz FOWCIDBIXMHCSO-MRVPVSSYSA-N 1 0 396.207 2.650 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2ccc(Br)cc2)[C@H](C)C1 ZINC000173258053 552080986 /nfs/dbraw/zinc/08/09/86/552080986.db2.gz ILODDXHALHVUOH-IUODEOHRSA-N 1 0 375.332 2.800 20 0 GFADRO O=C(NC1CC[NH+](CC2CCCC2)CC1)c1c[nH]c(=O)c(Br)c1 ZINC000173312649 552082578 /nfs/dbraw/zinc/08/25/78/552082578.db2.gz FMRHMEMWLAYPLD-UHFFFAOYSA-N 1 0 382.302 2.522 20 0 GFADRO C[C@H]([NH2+]C(C)(C)CNC(=O)c1c[nH]c(=O)c(Br)c1)c1ccccc1 ZINC000173513243 552087163 /nfs/dbraw/zinc/08/71/63/552087163.db2.gz SYSVMKZNXRPYDB-LBPRGKRZSA-N 1 0 392.297 2.997 20 0 GFADRO CC[NH+](CC)C[C@H]1CCN(C(=O)C(=O)Nc2cccc(Br)c2)C1 ZINC000173607507 552088654 /nfs/dbraw/zinc/08/86/54/552088654.db2.gz HFTSSKNDGNTUGH-CYBMUJFWSA-N 1 0 382.302 2.578 20 0 GFADRO Cc1c(Br)cccc1C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000173599366 552088772 /nfs/dbraw/zinc/08/87/72/552088772.db2.gz CJCWREXGPAPWFA-CQSZACIVSA-N 1 0 381.314 2.988 20 0 GFADRO CC(C)(O)C[NH+]1CCN(Cc2ncc(-c3ccc(Br)cc3)o2)CC1 ZINC000173637790 552089935 /nfs/dbraw/zinc/08/99/35/552089935.db2.gz BZTNUGBZQNZQIT-UHFFFAOYSA-N 1 0 394.313 2.993 20 0 GFADRO CC(C)[N@H+]1[C@@H]2CC[C@H]1CCN(S(=O)(=O)c1c(Cl)nc3ccccn31)C2 ZINC000173847998 552094239 /nfs/dbraw/zinc/09/42/39/552094239.db2.gz VCYUBFJSSXLPMQ-UONOGXRCSA-N 1 0 382.917 2.624 20 0 GFADRO CCC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2ccccc2OC(F)(F)F)C1 ZINC000173948142 552095847 /nfs/dbraw/zinc/09/58/47/552095847.db2.gz UBICGEXHRNMCBS-ZDUSSCGKSA-N 1 0 380.432 2.938 20 0 GFADRO CC[N@H+](C)C[C@H]1CCN(S(=O)(=O)c2ccc(C)cc2Br)C1 ZINC000174024104 552096854 /nfs/dbraw/zinc/09/68/54/552096854.db2.gz VXAZLGGQMGZANV-CYBMUJFWSA-N 1 0 375.332 2.720 20 0 GFADRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)S(=O)(=O)c1ccc(Cl)nc1 ZINC000174039798 552097696 /nfs/dbraw/zinc/09/76/96/552097696.db2.gz WUPAGAAZBMWJHU-INIZCTEOSA-N 1 0 379.913 2.878 20 0 GFADRO COCCOC[C@H]1CC[N@H+](CCC(=O)Nc2ccc(Br)cc2)C1 ZINC000174116448 552099550 /nfs/dbraw/zinc/09/95/50/552099550.db2.gz LXGTYOZUKUWDLG-AWEZNQCLSA-N 1 0 385.302 2.763 20 0 GFADRO CC[NH+]1CCC(CCNC(=O)CNC(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000174133911 552100338 /nfs/dbraw/zinc/10/03/38/552100338.db2.gz FMQYRHVPMSRAAG-UHFFFAOYSA-N 1 0 386.323 2.961 20 0 GFADRO O=C(Cc1csc(-c2cccs2)n1)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000174187426 552101701 /nfs/dbraw/zinc/10/17/01/552101701.db2.gz XOVAGJJIPGFQFE-AWEZNQCLSA-N 1 0 377.535 2.595 20 0 GFADRO CC(C)(C(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1)c1cccc(Br)c1 ZINC000174205669 552102200 /nfs/dbraw/zinc/10/22/00/552102200.db2.gz USSGPALPPVMYBG-HNNXBMFYSA-N 1 0 395.341 2.907 20 0 GFADRO O=C(NCCOc1ccc(Br)cc1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000174212002 552102526 /nfs/dbraw/zinc/10/25/26/552102526.db2.gz WCWYWBTYVWXGSA-OAHLLOKOSA-N 1 0 396.329 2.955 20 0 GFADRO CCS[C@@H]1CC[C@@H]([N@H+](C)CC(=O)N2CCN(Cc3cccs3)CC2)C1 ZINC000174342531 552102849 /nfs/dbraw/zinc/10/28/49/552102849.db2.gz FLRHPANWOPFYRY-IAGOWNOFSA-N 1 0 381.611 2.998 20 0 GFADRO O=C(c1cc(I)c[nH]1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000174521841 552105753 /nfs/dbraw/zinc/10/57/53/552105753.db2.gz CONTWAQLTBYJGB-LBPRGKRZSA-N 1 0 387.265 2.567 20 0 GFADRO CC(C)(CCS(C)(=O)=O)[NH2+]Cc1cc(Br)c2c(c1)OCCO2 ZINC000174637175 552107621 /nfs/dbraw/zinc/10/76/21/552107621.db2.gz BGQIAJMPOUNSGB-UHFFFAOYSA-N 1 0 392.315 2.523 20 0 GFADRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)Nc1nnc(-c2ccsc2)s1 ZINC000175494997 552123311 /nfs/dbraw/zinc/12/33/11/552123311.db2.gz RHHTVTFDYDJUNU-CYBMUJFWSA-N 1 0 381.527 2.841 20 0 GFADRO CC(C)[N@H+](C)CCNC(=O)C(=O)Nc1cc(Br)c(F)cc1Cl ZINC000175990473 552133569 /nfs/dbraw/zinc/13/35/69/552133569.db2.gz LLEXLCQRVSBKIG-UHFFFAOYSA-N 1 0 394.672 2.637 20 0 GFADRO CC[C@H](C)[N@H+](C)CCNC(=O)c1cc(=O)[nH]c2c(Br)cccc12 ZINC000176110531 552135794 /nfs/dbraw/zinc/13/57/94/552135794.db2.gz LMUVTGXOBOWYNA-NSHDSACASA-N 1 0 380.286 2.751 20 0 GFADRO C[N@@H+](Cc1ccc(Br)cc1)C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000176624056 552142526 /nfs/dbraw/zinc/14/25/26/552142526.db2.gz NYVKQVNZADSAHF-CQSZACIVSA-N 1 0 375.332 2.553 20 0 GFADRO CN(CC[NH+](C)C)S(=O)(=O)c1ccc(Br)c(C(F)(F)F)c1 ZINC000176969691 552148199 /nfs/dbraw/zinc/14/81/99/552148199.db2.gz SABOBESRCXMHAE-UHFFFAOYSA-N 1 0 389.237 2.650 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)c2ccc(I)c(F)c2)C[N@@H+]1C1CC1 ZINC000177147196 552150572 /nfs/dbraw/zinc/15/05/72/552150572.db2.gz CNIJDBQPVSZOIW-MWLCHTKSSA-N 1 0 388.224 2.785 20 0 GFADRO C[NH+](C)C1CCN(CCNC(=O)[C@@H]2C[C@@H]2c2cccc(Br)c2)CC1 ZINC000177151272 552150589 /nfs/dbraw/zinc/15/05/89/552150589.db2.gz MJYQADTXYUPMDR-QZTJIDSGSA-N 1 0 394.357 2.695 20 0 GFADRO COc1cccc([C@@H](C)[NH2+]CC2CCN(S(=O)(=O)C(F)(F)F)CC2)c1 ZINC000177328102 552153492 /nfs/dbraw/zinc/15/34/92/552153492.db2.gz OTPHQFHEFLRSIT-GFCCVEGCSA-N 1 0 380.432 2.907 20 0 GFADRO C[C@H]1C[C@@H](NC(=O)NCCOc2cccc(Br)c2)C[N@@H+]1C1CC1 ZINC000177666135 552156675 /nfs/dbraw/zinc/15/66/75/552156675.db2.gz YKGWETBGRWNCBQ-GXTWGEPZSA-N 1 0 382.302 2.752 20 0 GFADRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)c2cc(=O)[nH]c3c(Br)cccc23)C1 ZINC000177725343 552157798 /nfs/dbraw/zinc/15/77/98/552157798.db2.gz KLLARYLIULZDKS-NEPJUHHUSA-N 1 0 392.297 2.893 20 0 GFADRO C[C@H](C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1)c1ccc(Br)s1 ZINC000178112643 552164386 /nfs/dbraw/zinc/16/43/86/552164386.db2.gz FQILTZHVARVKKH-QWHCGFSZSA-N 1 0 387.343 2.795 20 0 GFADRO O=C(CCN1CC[NH+](C[C@H]2CCOC2)CC1)Nc1c(Cl)cccc1Cl ZINC000178831748 552176461 /nfs/dbraw/zinc/17/64/61/552176461.db2.gz WNPRUTCYROSIRI-CQSZACIVSA-N 1 0 386.323 2.976 20 0 GFADRO O=C(C[NH2+]CC1CC1)NC1CCN(Cc2ccc(Br)cc2)CC1 ZINC000178856499 552177031 /nfs/dbraw/zinc/17/70/31/552177031.db2.gz VGIXFSVDFSCBAE-UHFFFAOYSA-N 1 0 380.330 2.529 20 0 GFADRO COc1cc(Br)c(C[NH2+]CCN2CCOC(C)(C)C2)c(OC)c1 ZINC000178857125 552177151 /nfs/dbraw/zinc/17/71/51/552177151.db2.gz PEIUGSHRTYQOHJ-UHFFFAOYSA-N 1 0 387.318 2.667 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H]1C(=O)NC1CCN(Cc2ccc(Br)cc2)CC1 ZINC000178856342 552177211 /nfs/dbraw/zinc/17/72/11/552177211.db2.gz LKXWUKLGDAQDNX-DLBZAZTESA-N 1 0 380.330 2.657 20 0 GFADRO CCCN(C(=O)c1ccc(S(=O)(=O)c2ccccc2)s1)[C@@H]1CC[NH2+]C1 ZINC000178887488 552178647 /nfs/dbraw/zinc/17/86/47/552178647.db2.gz XRAULAMXXPNNQX-CQSZACIVSA-N 1 0 378.519 2.795 20 0 GFADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)Cc2cc(F)ccc2Br)C1 ZINC000178889235 552178701 /nfs/dbraw/zinc/17/87/01/552178701.db2.gz WHGXEHRFKDZFIA-HNNXBMFYSA-N 1 0 387.293 2.604 20 0 GFADRO C[C@H](NCc1ccnc(N2CC[NH+](C)CC2)c1)c1ncc(Br)s1 ZINC000179205824 552186771 /nfs/dbraw/zinc/18/67/71/552186771.db2.gz CIELWIDOIQDZAR-LBPRGKRZSA-N 1 0 396.358 2.903 20 0 GFADRO CC[C@@H](CO)[NH+]1CCN(C(=O)CCCc2ccc(Br)s2)CC1 ZINC000179400176 552192266 /nfs/dbraw/zinc/19/22/66/552192266.db2.gz ZSUYYAIZAAOKMD-ZDUSSCGKSA-N 1 0 389.359 2.748 20 0 GFADRO Cc1cc(C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)c(C)cc1Br ZINC000179419758 552193018 /nfs/dbraw/zinc/19/30/18/552193018.db2.gz QLNQBPORXHKXRB-OAHLLOKOSA-N 1 0 381.314 2.860 20 0 GFADRO COc1cc(Cl)c(Cl)cc1C(=O)NCCCC[N@@H+]1CCC[C@@H]1CO ZINC000179602260 552197997 /nfs/dbraw/zinc/19/79/97/552197997.db2.gz JDPQWQLKTWQOOB-GFCCVEGCSA-N 1 0 375.296 2.969 20 0 GFADRO C[N@H+](CCCO)C1CCN(C(=O)/C=C/c2ccc(Br)s2)CC1 ZINC000179765550 552202615 /nfs/dbraw/zinc/20/26/15/552202615.db2.gz SNMAOFCKZCMZQH-GQCTYLIASA-N 1 0 387.343 2.829 20 0 GFADRO COc1cc(NC(=O)NC[C@@H]2CCC[N@H+](C)C2)cc(OC)c1Br ZINC000179913985 552206860 /nfs/dbraw/zinc/20/68/60/552206860.db2.gz WUARFEWNFRZUOM-NSHDSACASA-N 1 0 386.290 2.930 20 0 GFADRO CN(C(=O)C[NH2+]C(C)(C)COc1ncccc1Br)c1nccs1 ZINC000180396933 552225261 /nfs/dbraw/zinc/22/52/61/552225261.db2.gz CRSYTOVBKGLSMP-UHFFFAOYSA-N 1 0 399.314 2.711 20 0 GFADRO O=C(NCc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1ccc(Br)o1 ZINC000180473994 552227234 /nfs/dbraw/zinc/22/72/34/552227234.db2.gz PEZHAJRRCQUVFZ-OAHLLOKOSA-N 1 0 393.281 2.929 20 0 GFADRO C[C@@H]([NH2+]C[C@H](C)CS(C)(=O)=O)c1cc2c(cc1Br)OCCO2 ZINC000180478350 552227571 /nfs/dbraw/zinc/22/75/71/552227571.db2.gz XZCCAIAJDAJGRR-WDEREUQCSA-N 1 0 392.315 2.552 20 0 GFADRO COC(=O)c1ccc(C[NH2+][C@@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)s1 ZINC000180533552 552229157 /nfs/dbraw/zinc/22/91/57/552229157.db2.gz CIRUXFXUDLIMEE-LBPRGKRZSA-N 1 0 382.507 2.636 20 0 GFADRO COC(CN(CCCO)CC(=O)Nc1c(Cl)cc(Cl)cc1Cl)OC ZINC000180640849 552231730 /nfs/dbraw/zinc/23/17/30/552231730.db2.gz DRXOKOYNYWHCOQ-UHFFFAOYSA-N 1 0 399.702 2.889 20 0 GFADRO CCOc1c(Cl)cc(C[N@H+](C)C2CCN(S(C)(=O)=O)CC2)cc1OC ZINC000180626450 552231849 /nfs/dbraw/zinc/23/18/49/552231849.db2.gz KTUHYEXPPAREMZ-UHFFFAOYSA-N 1 0 390.933 2.603 20 0 GFADRO C[C@@H](CN1CCOCC1)[NH+]1CCN([C@@H](C)c2ccc(Br)cc2)CC1 ZINC000180687681 552233020 /nfs/dbraw/zinc/23/30/20/552233020.db2.gz DNCKOEXAPVHWBZ-IRXDYDNUSA-N 1 0 396.373 2.848 20 0 GFADRO C[C@@H]([NH2+]CCS(=O)(=O)NC[C@@H]1CCCCO1)c1ccc(F)c(Cl)c1 ZINC000180743168 552234461 /nfs/dbraw/zinc/23/44/61/552234461.db2.gz NBKSUBNKXKHNCH-OCCSQVGLSA-N 1 0 378.897 2.618 20 0 GFADRO CCS(=O)(=O)C[C@H](C)[NH2+][C@@H](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000180823945 552236508 /nfs/dbraw/zinc/23/65/08/552236508.db2.gz ZTWIFNWYMUMPEF-RYUDHWBXSA-N 1 0 380.432 2.835 20 0 GFADRO [NH3+]CCCCNC(=O)c1nn(-c2cccc(Br)c2)c2c1CCCC2 ZINC000181063309 552244762 /nfs/dbraw/zinc/24/47/62/552244762.db2.gz PEGUYJQJDWNSNJ-UHFFFAOYSA-N 1 0 391.313 2.982 20 0 GFADRO C[C@@H]([NH2+]CC(=O)N[C@@H](C)C(=O)N1CCCCC1)c1ccc(Br)cc1 ZINC000181129597 552247319 /nfs/dbraw/zinc/24/73/19/552247319.db2.gz GYWOVQKRMHCTIV-KGLIPLIRSA-N 1 0 396.329 2.617 20 0 GFADRO Cn1ncc2c1CCC[C@@H]2[NH2+]C[C@H](O)COc1ccccc1Br ZINC000181360190 552254642 /nfs/dbraw/zinc/25/46/42/552254642.db2.gz LUSQTYWAVJMXOT-WFASDCNBSA-N 1 0 380.286 2.590 20 0 GFADRO Cn1ncc2c1CCC[C@H]2[NH2+]C[C@H](O)COc1ccccc1Br ZINC000181360172 552254911 /nfs/dbraw/zinc/25/49/11/552254911.db2.gz LUSQTYWAVJMXOT-SWLSCSKDSA-N 1 0 380.286 2.590 20 0 GFADRO C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CC1(CO)CCOCC1 ZINC000181566546 552260955 /nfs/dbraw/zinc/26/09/55/552260955.db2.gz BHYRMTLOSKNIFA-ZDUSSCGKSA-N 1 0 385.302 2.545 20 0 GFADRO C[C@@H]([NH2+]CCN1C(=O)NC2(CCCC2)C1=O)c1ccccc1Br ZINC000181569801 552260979 /nfs/dbraw/zinc/26/09/79/552260979.db2.gz WRXCCXZFHOKVJE-GFCCVEGCSA-N 1 0 380.286 2.964 20 0 GFADRO CC[C@@H]([NH2+]C[C@@H](O)CS(=O)(=O)c1cccs1)c1cc(C)ccc1OC ZINC000181636735 552263482 /nfs/dbraw/zinc/26/34/82/552263482.db2.gz BGLQMKABMFGIJV-GDBMZVCRSA-N 1 0 383.535 2.941 20 0 GFADRO C[C@H]([NH2+]C[C@H](O)CS(=O)(=O)c1cccs1)c1cc(F)c(F)c(F)c1 ZINC000181640615 552263745 /nfs/dbraw/zinc/26/37/45/552263745.db2.gz CMEDHIJQVOHXCQ-ONGXEEELSA-N 1 0 379.425 2.651 20 0 GFADRO CCc1nc2c(s1)[C@H]([NH2+]C[C@@H](O)CS(=O)(=O)c1cccs1)CCC2 ZINC000181642454 552264165 /nfs/dbraw/zinc/26/41/65/552264165.db2.gz VTAOYVFTZPLRDN-VXGBXAGGSA-N 1 0 386.564 2.569 20 0 GFADRO COc1ccc([C@H](C)[NH2+]CC2(CS(C)(=O)=O)CC2)c(Br)c1 ZINC000182002084 552272765 /nfs/dbraw/zinc/27/27/65/552272765.db2.gz CSOKIBLKCJVIGR-NSHDSACASA-N 1 0 376.316 2.933 20 0 GFADRO O[C@H](C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)COc1ccccc1Br ZINC000182022787 552273381 /nfs/dbraw/zinc/27/33/81/552273381.db2.gz CENJCCMACWOBBZ-GFOFROLCSA-N 1 0 382.298 2.736 20 0 GFADRO COC(=O)CC[N@@H+]1CCN(CCOc2cc(Cl)cc(Cl)c2)[C@H](C)C1 ZINC000182087170 552274413 /nfs/dbraw/zinc/27/44/13/552274413.db2.gz OIPAXGSPJISOJX-CYBMUJFWSA-N 1 0 375.296 2.941 20 0 GFADRO CC(C)Sc1ccc([C@@H](C)[NH2+]CCNS(=O)(=O)c2cnn(C)c2)cc1 ZINC000182102820 552275332 /nfs/dbraw/zinc/27/53/32/552275332.db2.gz XPVPYPCUYRHROI-CQSZACIVSA-N 1 0 382.555 2.550 20 0 GFADRO CC[C@H]([NH2+]CC(=O)Nc1cccc(I)c1)[C@@H]1CCCO1 ZINC000182298200 552280614 /nfs/dbraw/zinc/28/06/14/552280614.db2.gz FLOVFOQPQPAFRP-KBPBESRZSA-N 1 0 388.249 2.777 20 0 GFADRO NC(=O)C[C@H]1CCC[N@H+](Cc2cc3c(cc2Br)OCCCO3)C1 ZINC000182386061 552282495 /nfs/dbraw/zinc/28/24/95/552282495.db2.gz UXOMBXDGCFQYAN-GFCCVEGCSA-N 1 0 383.286 2.698 20 0 GFADRO O=C(CCc1cc(F)ccc1Br)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000182513550 552286676 /nfs/dbraw/zinc/28/66/76/552286676.db2.gz KTCWYRNZWCBMGQ-AWEZNQCLSA-N 1 0 399.304 2.702 20 0 GFADRO COC(=O)c1cc(NC(=O)N2CC[NH+](CC3CC3)CC2)ccc1Br ZINC000182596055 552288060 /nfs/dbraw/zinc/28/80/60/552288060.db2.gz OEMJOSVTFWSBFB-UHFFFAOYSA-N 1 0 396.285 2.795 20 0 GFADRO C[NH+]1CCC(CCNC(=O)NCCNc2cccc(Br)c2)CC1 ZINC000182692016 552290446 /nfs/dbraw/zinc/29/04/46/552290446.db2.gz CWAKCUDBYMFOEO-UHFFFAOYSA-N 1 0 383.334 2.892 20 0 GFADRO CC1(CNC(=O)c2ccn(-c3cccc(Br)c3)n2)CC[NH2+]CC1 ZINC000183356442 552306811 /nfs/dbraw/zinc/30/68/11/552306811.db2.gz DRTKUJPQKDOCBZ-UHFFFAOYSA-N 1 0 377.286 2.754 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)c1c[nH+]ccc1N(C)C ZINC000183471695 552310275 /nfs/dbraw/zinc/31/02/75/552310275.db2.gz RWPMVVKSXLCXBT-UHFFFAOYSA-N 1 0 391.269 2.587 20 0 GFADRO C[C@@H](NC(=O)C[NH2+][C@H](CO)c1ccccc1)c1ccc(Br)cc1 ZINC000183634071 552315136 /nfs/dbraw/zinc/31/51/36/552315136.db2.gz MWIAHCGOKIBCOP-CXAGYDPISA-N 1 0 377.282 2.950 20 0 GFADRO COc1ccccc1N1CC[C@@H]([NH2+]Cc2cncc(Br)c2)C1=O ZINC000183731853 552318082 /nfs/dbraw/zinc/31/80/82/552318082.db2.gz JPZVIPGBVSZWQE-CQSZACIVSA-N 1 0 376.254 2.748 20 0 GFADRO [NH3+]CC1(CC(=O)NCC(=O)Nc2ccc(Br)cc2)CCCCC1 ZINC000184162087 552328722 /nfs/dbraw/zinc/32/87/22/552328722.db2.gz CKJCGAWRLQLSAE-UHFFFAOYSA-N 1 0 382.302 2.803 20 0 GFADRO COc1ccc(Br)cc1NC(=O)N[C@@H](C)CC[NH+]1CCN(C)CC1 ZINC000184205264 552329761 /nfs/dbraw/zinc/32/97/61/552329761.db2.gz PGSBFAVPCJAKTG-ZDUSSCGKSA-N 1 0 399.333 2.605 20 0 GFADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)/C=C/c1ccccc1Br ZINC000184324902 552332848 /nfs/dbraw/zinc/33/28/48/552332848.db2.gz HAMJBGFPXYHXTK-MVGZEHJDSA-N 1 0 380.330 2.605 20 0 GFADRO Cc1cc(C(=O)N[C@@H](C)CC[NH+]2CCN(C)CC2)c(C)cc1Br ZINC000184353849 552333475 /nfs/dbraw/zinc/33/34/75/552333475.db2.gz OOCPRYHNOWVQAR-HNNXBMFYSA-N 1 0 382.346 2.822 20 0 GFADRO COc1cc(NC(=O)N[C@H](C)CC[NH+]2CCN(C)CC2)ccc1Br ZINC000184459154 552335822 /nfs/dbraw/zinc/33/58/22/552335822.db2.gz XPXWGZAYAPQWCH-CYBMUJFWSA-N 1 0 399.333 2.605 20 0 GFADRO NC(=O)[C@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000184797878 552344821 /nfs/dbraw/zinc/34/48/21/552344821.db2.gz AWJHJUYHHYNYLR-CMPLNLGQSA-N 1 0 377.794 2.931 20 0 GFADRO COc1ccc(C[C@@H](C)C[NH2+]CCNS(=O)(=O)c2cccs2)cc1F ZINC000185308616 552360512 /nfs/dbraw/zinc/36/05/12/552360512.db2.gz LJMUFNCJKJOGCL-CYBMUJFWSA-N 1 0 386.514 2.643 20 0 GFADRO O=C(C[NH+]1CCC(c2ccc(Cl)cc2)CC1)NC(=O)NCC(F)(F)F ZINC000185788829 552370820 /nfs/dbraw/zinc/37/08/20/552370820.db2.gz VLESUDKMSNXCOI-UHFFFAOYSA-N 1 0 377.794 2.908 20 0 GFADRO C[C@@H](CNC(=O)NC(C)(C)COc1ncccc1Br)[N@H+](C)C1CC1 ZINC000185987215 552376449 /nfs/dbraw/zinc/37/64/49/552376449.db2.gz GLXRJLSCOFPPKC-LBPRGKRZSA-N 1 0 399.333 2.783 20 0 GFADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)N(C)Cc1ccc(Br)cc1 ZINC000186112141 552379416 /nfs/dbraw/zinc/37/94/16/552379416.db2.gz SYRGKOCZCMBPBO-OAHLLOKOSA-N 1 0 397.361 2.617 20 0 GFADRO C[C@@H](c1cccc(N2CCCS2(=O)=O)c1)[N@H+](C)CCOCC(F)(F)F ZINC000186277246 552383985 /nfs/dbraw/zinc/38/39/85/552383985.db2.gz HRGBUOJCGIKCDE-ZDUSSCGKSA-N 1 0 380.432 2.798 20 0 GFADRO O=C(NCC1=CC[NH2+]CC1)c1ccc(I)cc1Cl ZINC000186293416 552384384 /nfs/dbraw/zinc/38/43/84/552384384.db2.gz HATJVOXXAYUATE-UHFFFAOYSA-N 1 0 376.625 2.594 20 0 GFADRO [NH3+]Cc1ccc(C(=O)N[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)cc1 ZINC000186491928 552389121 /nfs/dbraw/zinc/38/91/21/552389121.db2.gz IREUQAAUFUDYTN-MRXNPFEDSA-N 1 0 378.259 2.987 20 0 GFADRO CCc1c(C(=O)N[C@H]2C[NH2+]CC[C@@H]2C)cnn1-c1ccc(Br)cc1 ZINC000186673166 552394705 /nfs/dbraw/zinc/39/47/05/552394705.db2.gz LQZIUIIKTTYLSW-LRDDRELGSA-N 1 0 391.313 2.925 20 0 GFADRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)c1ccc(Cl)c(I)c1 ZINC000186758507 552397264 /nfs/dbraw/zinc/39/72/64/552397264.db2.gz JPUBKUIEHNVVKF-QPUJVOFHSA-N 1 0 378.641 2.672 20 0 GFADRO CC(C)(CC[NH+]1CCCCCC1)NC(=O)Cn1cc(Br)ccc1=O ZINC000186835576 552399178 /nfs/dbraw/zinc/39/91/78/552399178.db2.gz JWFVUJGBIHTDIQ-UHFFFAOYSA-N 1 0 398.345 2.772 20 0 GFADRO C[C@@H]1C[N@H+](C[C@H](O)COc2ccc(Cl)cc2Br)CC[C@@H]1O ZINC000186868990 552399993 /nfs/dbraw/zinc/39/99/93/552399993.db2.gz OCVWPEBBJMOPBM-OSMZGAPFSA-N 1 0 378.694 2.545 20 0 GFADRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)Cc1csc(-c2cccs2)n1 ZINC000186937676 552401735 /nfs/dbraw/zinc/40/17/35/552401735.db2.gz MQNJIVPDIVKDQW-ZDUSSCGKSA-N 1 0 379.551 2.718 20 0 GFADRO C[C@@H]([NH2+]CCc1cc(Br)ccc1F)C1CCS(=O)(=O)CC1 ZINC000187067667 552406066 /nfs/dbraw/zinc/40/60/66/552406066.db2.gz PLDLOXOMEJCZAF-LLVKDONJSA-N 1 0 378.307 2.934 20 0 GFADRO CC(C)(CNC(=O)NCC[N@@H+]1CCCOCC1)c1cccc(Br)c1 ZINC000187117999 552407007 /nfs/dbraw/zinc/40/70/07/552407007.db2.gz VNLTYRRGHJDOSM-UHFFFAOYSA-N 1 0 398.345 2.748 20 0 GFADRO CCS(=O)(=O)c1c(Cl)cccc1CNC1CC[NH+](CCCOC)CC1 ZINC000187188178 552408982 /nfs/dbraw/zinc/40/89/82/552408982.db2.gz GZKWFRSDPUBTJR-UHFFFAOYSA-N 1 0 388.961 2.724 20 0 GFADRO C[C@@H](c1cccc(S(N)(=O)=O)c1)[N@H+](C)C[C@H](O)c1ccc(F)cc1Cl ZINC000187236265 552410077 /nfs/dbraw/zinc/41/00/77/552410077.db2.gz UTEKKRQCPBSOJI-GTNSWQLSSA-N 1 0 386.876 2.853 20 0 GFADRO O=C(NCC[N@@H+]1CCCOCC1)Nc1ccc(Br)cc1Cl ZINC000187464329 552416569 /nfs/dbraw/zinc/41/65/69/552416569.db2.gz YUAZUGDNEBFZQZ-UHFFFAOYSA-N 1 0 376.682 2.946 20 0 GFADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2c[nH]nc2-c2ccc(Cl)s2)C1 ZINC000187507242 552416977 /nfs/dbraw/zinc/41/69/77/552416977.db2.gz PLRRTTWHLSATDA-LBPRGKRZSA-N 1 0 382.917 2.878 20 0 GFADRO CN(CC[N@H+](C)C1CC1)C(=O)C(=O)Nc1ccc(C(F)(F)F)cc1Cl ZINC000187731211 552423307 /nfs/dbraw/zinc/42/33/07/552423307.db2.gz MKWFBDNPGFQLKQ-UHFFFAOYSA-N 1 0 377.794 2.850 20 0 GFADRO CCO[C@@H]1C[C@@]([NH3+])(C(=O)N2CCc3cccc(Br)c3C2)C1(C)C ZINC000187806756 552424938 /nfs/dbraw/zinc/42/49/38/552424938.db2.gz NTHNUVKCXZALGV-CRAIPNDOSA-N 1 0 381.314 2.866 20 0 GFADRO CCO[C@@H]1C[C@]([NH3+])(C(=O)N2CCC(C(F)(F)F)(C(F)(F)F)C2)C1(C)C ZINC000187823790 552425358 /nfs/dbraw/zinc/42/53/58/552425358.db2.gz NCHQMJPHMZWLPH-RNCFNFMXSA-N 1 0 376.341 2.862 20 0 GFADRO Cc1ccc(CC(=O)NCC2CC[NH+](CCN(C)C)CC2)cc1Br ZINC000187939755 552428220 /nfs/dbraw/zinc/42/82/20/552428220.db2.gz QLWHNZZXHSDXFK-UHFFFAOYSA-N 1 0 396.373 2.690 20 0 GFADRO CCN(CC)S(=O)(=O)c1ccc(CC[NH2+][C@@H](C)c2nccnc2C)s1 ZINC000187951927 552429073 /nfs/dbraw/zinc/42/90/73/552429073.db2.gz GHCHNJBYRWBAKS-ZDUSSCGKSA-N 1 0 382.555 2.770 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N2CCC[C@H]([NH+](C)C)C2)cc1Br ZINC000188120402 552436062 /nfs/dbraw/zinc/43/60/62/552436062.db2.gz PSLINZVSERAHNT-ZDUSSCGKSA-N 1 0 382.302 2.557 20 0 GFADRO COc1nc(C)c(Br)cc1C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000188171065 552437456 /nfs/dbraw/zinc/43/74/56/552437456.db2.gz HINKFTFJISFORW-ZDUSSCGKSA-N 1 0 382.302 2.719 20 0 GFADRO COc1ccc(Br)c(S(=O)(=O)N[C@H](C)C[NH+]2CCCCC2)c1 ZINC000188216037 552439216 /nfs/dbraw/zinc/43/92/16/552439216.db2.gz RQRQITZISUSBBA-GFCCVEGCSA-N 1 0 391.331 2.610 20 0 GFADRO Cc1ccc(Br)c(NC(=O)C(=O)N(C)CC2([NH+](C)C)CCC2)c1 ZINC000188216455 552439706 /nfs/dbraw/zinc/43/97/06/552439706.db2.gz WDKZKFHTDBTCTL-UHFFFAOYSA-N 1 0 382.302 2.639 20 0 GFADRO C[C@H](Cc1ccc(Br)cc1)[NH2+][C@H]1CCCN(c2ccn(C)n2)C1=O ZINC000188298092 552441496 /nfs/dbraw/zinc/44/14/96/552441496.db2.gz GUZGOTFSLWCQDW-CJNGLKHVSA-N 1 0 391.313 2.899 20 0 GFADRO O=C(NCC[N@@H+]1CCCOCC1)Nc1ccc(Cl)cc1Br ZINC000188460265 552445337 /nfs/dbraw/zinc/44/53/37/552445337.db2.gz SWLPNNRCMRWOEP-UHFFFAOYSA-N 1 0 376.682 2.946 20 0 GFADRO C[C@H](Cn1cc(Br)cn1)[NH2+]CC1CCN(CC(F)(F)F)CC1 ZINC000188506425 552446588 /nfs/dbraw/zinc/44/65/88/552446588.db2.gz YVVZIQGSMPRNNQ-LLVKDONJSA-N 1 0 383.256 2.898 20 0 GFADRO Cc1cc(Br)ccc1CC(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000188702394 552452790 /nfs/dbraw/zinc/45/27/90/552452790.db2.gz KSUWVNVWVDCAJM-AWEZNQCLSA-N 1 0 383.330 2.604 20 0 GFADRO COC1(C[NH2+]Cc2ccc(Br)cc2N2CCOCC2)CCOCC1 ZINC000188757897 552454453 /nfs/dbraw/zinc/45/44/53/552454453.db2.gz KESIONQCPXQWTE-UHFFFAOYSA-N 1 0 399.329 2.571 20 0 GFADRO O=S(=O)(NCc1ccc2c(c1)C[NH2+]C2)c1ccc(Br)cc1F ZINC000189212469 552466075 /nfs/dbraw/zinc/46/60/75/552466075.db2.gz PXPYOJSIXSVUPT-UHFFFAOYSA-N 1 0 385.258 2.670 20 0 GFADRO CC[N@H+](C[C@H](O)COc1ccc(Cl)cc1Cl)C[C@H](O)C(F)(F)F ZINC000189438324 552471510 /nfs/dbraw/zinc/47/15/10/552471510.db2.gz OOXWFUYUIPYISA-GWCFXTLKSA-N 1 0 376.202 2.978 20 0 GFADRO O=C(CCCc1ccc(Br)s1)NCC[N@@H+]1CCCOCC1 ZINC000189467088 552472727 /nfs/dbraw/zinc/47/27/27/552472727.db2.gz NSZNTNBBCUJZBC-UHFFFAOYSA-N 1 0 375.332 2.672 20 0 GFADRO C[C@@H]1CN(Cc2nc3cc(Br)ccc3[nH]2)CC[N@@H+]1CC(C)(C)O ZINC000189918497 552482822 /nfs/dbraw/zinc/48/28/22/552482822.db2.gz YTCYTYNFQLDBOW-GFCCVEGCSA-N 1 0 381.318 2.602 20 0 GFADRO NC(=O)C[C@@H]([NH2+]Cc1ccc(Br)c(Cl)c1)C1CCOCC1 ZINC000189935315 552483274 /nfs/dbraw/zinc/48/32/74/552483274.db2.gz SWZBMXNJYBRVSS-CQSZACIVSA-N 1 0 375.694 2.863 20 0 GFADRO COC(=O)c1scc(C)c1S(=O)(=O)NCCCCC[NH+]1CCCCC1 ZINC000190072962 552486776 /nfs/dbraw/zinc/48/67/76/552486776.db2.gz LPAOFIHVGDIRMG-UHFFFAOYSA-N 1 0 388.555 2.778 20 0 GFADRO CC1(C)C[N@H+](CCOc2ccc(S(N)(=O)=O)cc2)CC[C@@H]1C(F)(F)F ZINC000190169737 552489137 /nfs/dbraw/zinc/48/91/37/552489137.db2.gz HPLREGXZYQLILU-AWEZNQCLSA-N 1 0 380.432 2.623 20 0 GFADRO COc1cc(Br)ccc1[C@H](C)[NH2+]C[C@H](O)COC[C@@H]1CCCO1 ZINC000190433207 552496452 /nfs/dbraw/zinc/49/64/52/552496452.db2.gz LFHBSHWBDYWSMR-QEJZJMRPSA-N 1 0 388.302 2.665 20 0 GFADRO Cc1cccc(CNC(=O)N2CCC([N@H+](C)CCCO)CC2)c1Br ZINC000190504594 552498735 /nfs/dbraw/zinc/49/87/35/552498735.db2.gz NPHNVSILPPWNQX-UHFFFAOYSA-N 1 0 398.345 2.746 20 0 GFADRO C[NH+](C)[C@H]1CCN(S(=O)(=O)c2cc(Cl)c(Br)cc2F)C1 ZINC000190677595 552505681 /nfs/dbraw/zinc/50/56/81/552505681.db2.gz LWMQJCHHBKKWFT-QMMMGPOBSA-N 1 0 385.686 2.566 20 0 GFADRO Cc1cc(NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)cc(C)c1Br ZINC000190834965 552510439 /nfs/dbraw/zinc/51/04/39/552510439.db2.gz GMJKCJFVVPKXCX-DZGCQCFKSA-N 1 0 396.329 2.803 20 0 GFADRO CN(CC1CC[NH+](C)CC1)C(=O)Cc1ccc(I)cc1 ZINC000190923674 552513712 /nfs/dbraw/zinc/51/37/12/552513712.db2.gz BIJYQPJUOKOEKM-UHFFFAOYSA-N 1 0 386.277 2.634 20 0 GFADRO Cc1csc(C(=O)NCC2CC[NH+](CCN(C)C)CC2)c1Br ZINC000190938696 552513860 /nfs/dbraw/zinc/51/38/60/552513860.db2.gz BQRUGFQXUCJZDW-UHFFFAOYSA-N 1 0 388.375 2.822 20 0 GFADRO C[NH+](C)CCNC(=O)c1cccc(CNCc2ccc(Br)o2)c1 ZINC000190940589 552514076 /nfs/dbraw/zinc/51/40/76/552514076.db2.gz ZDIBLCGSWCEUTA-UHFFFAOYSA-N 1 0 380.286 2.623 20 0 GFADRO C[C@@H]1CN(C(=O)C2(c3ccccc3Br)CC2)CC[N@@H+]1CC(C)(C)O ZINC000191077561 552517893 /nfs/dbraw/zinc/51/78/93/552517893.db2.gz GPWWFHIXWBQRDW-CQSZACIVSA-N 1 0 395.341 2.784 20 0 GFADRO O=C(NCCC[NH+]1CCCC1)c1nc(Br)ccc1Br ZINC000191164108 552520321 /nfs/dbraw/zinc/52/03/21/552520321.db2.gz MPSJYLRRMCEWSX-UHFFFAOYSA-N 1 0 391.107 2.822 20 0 GFADRO CCN(CCC[NH+](C)C)C(=O)Nc1ccc(NS(C)(=O)=O)c(Cl)c1 ZINC000191434071 552528025 /nfs/dbraw/zinc/52/80/25/552528025.db2.gz ZHLHFYUXXRPJDV-UHFFFAOYSA-N 1 0 376.910 2.517 20 0 GFADRO CO[C@H](C)[C@H](C)[NH2+][C@H](C)C(=O)Nc1ccc(I)cc1 ZINC000191721219 552536150 /nfs/dbraw/zinc/53/61/50/552536150.db2.gz ZMXLVGBYXGDBTR-HBNTYKKESA-N 1 0 376.238 2.631 20 0 GFADRO Cn1nc(Br)cc1C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000192069607 552548786 /nfs/dbraw/zinc/54/87/86/552548786.db2.gz UTALGPDGDGYMFN-UHFFFAOYSA-N 1 0 391.313 2.620 20 0 GFADRO C[C@H]1C[C@H](NC(=O)c2cc(Br)nn2C)CC[N@@H+]1Cc1ccccc1 ZINC000192148370 552553291 /nfs/dbraw/zinc/55/32/91/552553291.db2.gz ISPRITJADCGKNK-DZGCQCFKSA-N 1 0 391.313 2.966 20 0 GFADRO CCS(=O)(=O)N(C)CCC[NH2+]Cc1ccc(Br)c(Cl)c1 ZINC000192165894 552553930 /nfs/dbraw/zinc/55/39/30/552553930.db2.gz QJEVYMSCCUYVEK-UHFFFAOYSA-N 1 0 383.739 2.864 20 0 GFADRO COCC[NH+]1CCC(NC(=O)Nc2c(F)cc(F)cc2Br)CC1 ZINC000192284960 552558478 /nfs/dbraw/zinc/55/84/78/552558478.db2.gz RADKVVXJJADBCS-UHFFFAOYSA-N 1 0 392.244 2.960 20 0 GFADRO CC(C)[C@](C)([NH2+]CC(=O)N[C@H](C)C(=O)N(C)C)c1ccc(Br)cc1 ZINC000192373056 552561233 /nfs/dbraw/zinc/56/12/33/552561233.db2.gz ILCMREGZAPATFY-ACJLOTCBSA-N 1 0 398.345 2.503 20 0 GFADRO COC(=O)[C@H](C)N(CC(=O)N(C)Cc1ccccc1Br)C1CCC1 ZINC000192382525 552561507 /nfs/dbraw/zinc/56/15/07/552561507.db2.gz JMUCQICPHFGGKG-ZDUSSCGKSA-N 1 0 397.313 2.824 20 0 GFADRO Cc1cc(NC(=O)C(=O)NCCC[NH+]2CCCCC2)cc(C)c1Br ZINC000192449387 552564043 /nfs/dbraw/zinc/56/40/43/552564043.db2.gz KXYNFZKEKQFMFX-UHFFFAOYSA-N 1 0 396.329 2.997 20 0 GFADRO Cc1nc(NC(=O)C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)sc1C ZINC000192511080 552565832 /nfs/dbraw/zinc/56/58/32/552565832.db2.gz RKLFENGCSNNCFS-CYBMUJFWSA-N 1 0 378.523 2.713 20 0 GFADRO Cc1ccc(S(=O)(=O)NCC[NH2+]Cc2cnc(-c3ccco3)s2)cc1 ZINC000193061022 552982412 /nfs/dbraw/zinc/98/24/12/552982412.db2.gz UWJXVINKZKMYHQ-UHFFFAOYSA-N 1 0 377.491 2.780 20 0 GFADRO Cc1nc(NC(=O)C(=O)NCCCCCCC[NH+](C)C)ccc1Br ZINC000193100869 552983627 /nfs/dbraw/zinc/98/36/27/552983627.db2.gz NECUFNPUMOZIRD-UHFFFAOYSA-N 1 0 399.333 2.719 20 0 GFADRO CC(C)(C)[C@@H](CO)[NH2+]Cc1nnnn1-c1ccc(Cl)cc1C(F)(F)F ZINC000193105802 552983883 /nfs/dbraw/zinc/98/38/83/552983883.db2.gz XKNYKCAVSZYKDG-GFCCVEGCSA-N 1 0 377.798 2.831 20 0 GFADRO CCS(=O)(=O)N1CCC([NH2+][C@@H]2CCc3ccc(Br)cc32)CC1 ZINC000193158302 552985282 /nfs/dbraw/zinc/98/52/82/552985282.db2.gz DGJUSDKWTICREC-MRXNPFEDSA-N 1 0 387.343 2.840 20 0 GFADRO CC(C)(C[NH3+])NS(=O)(=O)c1cc(Br)c(Cl)cc1Cl ZINC000193262062 552987946 /nfs/dbraw/zinc/98/79/46/552987946.db2.gz OPQVWSBUVKJUIO-UHFFFAOYSA-N 1 0 376.103 2.772 20 0 GFADRO CN(CC[NH2+]CCCc1ccc2c(c1)CCO2)S(=O)(=O)c1cccs1 ZINC000193305676 552989616 /nfs/dbraw/zinc/98/96/16/552989616.db2.gz WRXBEZDLVSNVNL-UHFFFAOYSA-N 1 0 380.535 2.526 20 0 GFADRO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)CCC[S@@](=O)c1ccc(Br)cc1 ZINC000193529518 552995615 /nfs/dbraw/zinc/99/56/15/552995615.db2.gz SFLFGUNYERNYBU-ZNVLZIIHSA-N 1 0 387.343 2.594 20 0 GFADRO C[NH+](C)CCCC1CCN(S(=O)(=O)c2c(F)c(F)cc(F)c2F)CC1 ZINC000193814839 553004305 /nfs/dbraw/zinc/00/43/05/553004305.db2.gz MWTJAOKGBJRRHR-UHFFFAOYSA-N 1 0 382.423 2.986 20 0 GFADRO Cc1ccc(Br)cc1S(=O)(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000193908731 553006713 /nfs/dbraw/zinc/00/67/13/553006713.db2.gz WAEXZDDYEBDVGP-UHFFFAOYSA-N 1 0 387.343 2.910 20 0 GFADRO O=C(NCCOc1cccc(Br)c1)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000194118798 553012195 /nfs/dbraw/zinc/01/21/95/553012195.db2.gz ZFPRECJNFDGDQO-CYBMUJFWSA-N 1 0 382.302 2.611 20 0 GFADRO [NH3+]CCc1nc(C(=O)Nc2ccc(Cl)cc2C(=O)N2CCCC2)cs1 ZINC000194770625 553029486 /nfs/dbraw/zinc/02/94/86/553029486.db2.gz DZCCSRRRFBZUEK-UHFFFAOYSA-N 1 0 378.885 2.786 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)NC1CCN(CC(F)(F)F)CC1)c1cccs1 ZINC000194851584 553031447 /nfs/dbraw/zinc/03/14/47/553031447.db2.gz DPTOJFAPBYHJKP-CYBMUJFWSA-N 1 0 378.464 2.677 20 0 GFADRO C[C@@H]([NH3+])CNC(=O)c1nn(-c2ccc(Br)cc2)c2c1CCCC2 ZINC000194866415 553032313 /nfs/dbraw/zinc/03/23/13/553032313.db2.gz SYQMUWMJFYFCCT-LLVKDONJSA-N 1 0 377.286 2.591 20 0 GFADRO O=S(=O)(c1sccc1Br)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000194934010 553034028 /nfs/dbraw/zinc/03/40/28/553034028.db2.gz CNUJBVUNUWDQOK-NSHDSACASA-N 1 0 379.345 2.760 20 0 GFADRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000195053992 553036930 /nfs/dbraw/zinc/03/69/30/553036930.db2.gz VNYIDRDLPBCUQB-HNNXBMFYSA-N 1 0 388.295 2.501 20 0 GFADRO COCC[NH+]1CCC(NC(=O)N2CCc3c(Br)cccc3C2)CC1 ZINC000195275344 553043914 /nfs/dbraw/zinc/04/39/14/553043914.db2.gz XLMNUYQTQVVHIS-UHFFFAOYSA-N 1 0 396.329 2.628 20 0 GFADRO C[C@H](CNS(=O)(=O)N(C)Cc1c(F)cccc1Cl)C[NH+]1CCCCC1 ZINC000195694764 553051290 /nfs/dbraw/zinc/05/12/90/553051290.db2.gz LNVUHHBCQQPYSI-CQSZACIVSA-N 1 0 391.940 2.867 20 0 GFADRO C[C@](C[NH3+])(NC(=O)c1cc(Cl)ccc1I)C1CC1 ZINC000226256816 553061417 /nfs/dbraw/zinc/06/14/17/553061417.db2.gz YSBSCOMSPMMGDF-CYBMUJFWSA-N 1 0 378.641 2.802 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)c2ccc(F)cc2I)C1 ZINC000226265739 553061539 /nfs/dbraw/zinc/06/15/39/553061539.db2.gz HMFADQRGDOIFLH-ZJUUUORDSA-N 1 0 376.213 2.630 20 0 GFADRO O=C(NCC[C@H]1CCC[NH2+]C1)c1ccc(F)cc1I ZINC000226250618 553061686 /nfs/dbraw/zinc/06/16/86/553061686.db2.gz NWAONBUDTYFAES-SNVBAGLBSA-N 1 0 376.213 2.550 20 0 GFADRO C[C@@H]1CN(C(=O)c2ccc(I)c(Cl)c2)[C@H](C)C[NH2+]1 ZINC000227356323 553062723 /nfs/dbraw/zinc/06/27/23/553062723.db2.gz CHWXVYKEYDLVAH-RKDXNWHRSA-N 1 0 378.641 2.767 20 0 GFADRO COC[C@@H](C[NH2+]Cc1cc(Br)cc(Br)c1OC)OC ZINC000227704530 553063291 /nfs/dbraw/zinc/06/32/91/553063291.db2.gz IFMILIHIJREESZ-LLVKDONJSA-N 1 0 397.107 2.971 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H]2CN(S(=O)(=O)c3ccc(Br)cc3Cl)C[C@@H]21 ZINC000230130028 553064613 /nfs/dbraw/zinc/06/46/13/553064613.db2.gz XKHUCXBRCZRJHG-SUZMYJTESA-N 1 0 393.734 2.850 20 0 GFADRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)c1ccc(F)cc1I ZINC000234340512 553067060 /nfs/dbraw/zinc/06/70/60/553067060.db2.gz MZXWPEMNMYBJLU-NSHDSACASA-N 1 0 376.213 2.597 20 0 GFADRO O=C(Nc1ccc(Oc2cccc(Br)c2)nc1)[C@H]1C[NH2+]CCO1 ZINC000236575373 553069093 /nfs/dbraw/zinc/06/90/93/553069093.db2.gz NAKJEWYYFAJMSG-CQSZACIVSA-N 1 0 378.226 2.563 20 0 GFADRO O=C(Nc1ccc(Br)c(I)c1)[C@@H]1CC[NH2+]C1 ZINC000236619848 553069903 /nfs/dbraw/zinc/06/99/03/553069903.db2.gz MBYGRGAJDARTHK-SSDOTTSWSA-N 1 0 395.038 2.602 20 0 GFADRO CC(C)([NH3+])CNC(=O)c1nn(-c2cccc(Br)c2)c2c1CCCC2 ZINC000236645780 553070290 /nfs/dbraw/zinc/07/02/90/553070290.db2.gz IQCXOENTBLIDGH-UHFFFAOYSA-N 1 0 391.313 2.981 20 0 GFADRO Brc1cc(C[NH2+]C2CCN(c3ncccn3)CC2)cc2c1OCO2 ZINC000236648387 553070302 /nfs/dbraw/zinc/07/03/02/553070302.db2.gz AHUKMURCPUGFCA-UHFFFAOYSA-N 1 0 391.269 2.726 20 0 GFADRO O=S(=O)(N[C@H]1CC[NH2+]C1)c1ccc(-c2ccc(Br)cc2)cc1 ZINC000236753046 553071136 /nfs/dbraw/zinc/07/11/36/553071136.db2.gz ZYRSUQDLQJCCRG-HNNXBMFYSA-N 1 0 381.295 2.756 20 0 GFADRO O=C(C[C@H]1CSCC[NH2+]1)Nc1nccn1Cc1ccc(Br)cc1 ZINC000236711934 553071209 /nfs/dbraw/zinc/07/12/09/553071209.db2.gz FPIYMOJJJCZPLO-AWEZNQCLSA-N 1 0 395.326 2.728 20 0 GFADRO CCCN(C(=O)CCNC(=O)c1ccc(Br)cc1)C1CC[NH2+]CC1 ZINC000236781662 553071684 /nfs/dbraw/zinc/07/16/84/553071684.db2.gz OBIZAHGNGZPTAM-UHFFFAOYSA-N 1 0 396.329 2.560 20 0 GFADRO CCOC(=O)C[C@@H](NC(=O)CC1CC[NH2+]CC1)c1ccc(Br)cc1 ZINC000236854904 553072293 /nfs/dbraw/zinc/07/22/93/553072293.db2.gz XKLAMPDFPYMVTN-MRXNPFEDSA-N 1 0 397.313 2.949 20 0 GFADRO CCc1nc(C(=O)N2C[C@H](C)[NH2+]C[C@H]2C)nn1-c1c(Cl)cccc1Cl ZINC000237025126 553073531 /nfs/dbraw/zinc/07/35/31/553073531.db2.gz POPNEIJUXAZBJV-WDEREUQCSA-N 1 0 382.295 2.959 20 0 GFADRO CCc1nc(C(=O)N[C@@](C)(C[NH3+])C2CC2)nn1-c1c(Cl)cccc1Cl ZINC000237028098 553073718 /nfs/dbraw/zinc/07/37/18/553073718.db2.gz TXEDXVTWEQEQFE-KRWDZBQOSA-N 1 0 382.295 2.994 20 0 GFADRO C[NH2+]CCNC(=O)c1ccc(OCc2ccc(Br)cc2)c(OC)c1 ZINC000237117319 553074701 /nfs/dbraw/zinc/07/47/01/553074701.db2.gz APDADVLWJFZUAJ-UHFFFAOYSA-N 1 0 393.281 2.986 20 0 GFADRO CCc1c(C(=O)NCC[NH2+]C2CC2)cnn1-c1ccc(Br)cc1 ZINC000237101361 553074873 /nfs/dbraw/zinc/07/48/73/553074873.db2.gz YTOGKEWWISGDNI-UHFFFAOYSA-N 1 0 377.286 2.679 20 0 GFADRO CN(C(=O)C[C@@H]1Sc2ccc(Cl)cc2NC1=O)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000237211420 553076050 /nfs/dbraw/zinc/07/60/50/553076050.db2.gz YAWOVVXBRVNFKC-GYVWXKFASA-N 1 0 379.913 2.884 20 0 GFADRO C[NH2+]CCN(C)C(=O)[C@@H](CCSC)NC(=O)c1ccc(Cl)cc1Cl ZINC000237301272 553076459 /nfs/dbraw/zinc/07/64/59/553076459.db2.gz NJXUQERKHIZBMB-CQSZACIVSA-N 1 0 392.352 2.523 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C1 ZINC000237492628 553078141 /nfs/dbraw/zinc/07/81/41/553078141.db2.gz JXZXVKURSFXLLO-SCRDCRAPSA-N 1 0 384.307 2.932 20 0 GFADRO C[C@@H](CC(=O)NCc1cn2cc(Br)ccc2n1)[C@@H]1CCC[NH2+]C1 ZINC000237495422 553078299 /nfs/dbraw/zinc/07/82/99/553078299.db2.gz ROVIBSYZJHHDQJ-QWHCGFSZSA-N 1 0 379.302 2.739 20 0 GFADRO C[C@H](Cc1ccc(Br)cc1)[NH2+]C1CCN(CC(=O)N(C)C)CC1 ZINC000237484378 553078405 /nfs/dbraw/zinc/07/84/05/553078405.db2.gz RNPNJNPPRWCEJE-CQSZACIVSA-N 1 0 382.346 2.522 20 0 GFADRO C[C@@H]1CCCN(C(=O)c2cnn(-c3ccc(Br)cc3)c2)[C@H]1C[NH3+] ZINC000237452341 553078482 /nfs/dbraw/zinc/07/84/82/553078482.db2.gz PGPAPCJYZURIGQ-WBMJQRKESA-N 1 0 377.286 2.834 20 0 GFADRO C[C@H](Oc1ccc(Cl)cc1Br)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000237622985 553079768 /nfs/dbraw/zinc/07/97/68/553079768.db2.gz BRCYTWJKWSPCEP-QWRGUYRKSA-N 1 0 375.694 2.986 20 0 GFADRO C[C@H](CC(=O)NCC(=O)Nc1ccc(Br)cc1)[C@H]1CCC[NH2+]C1 ZINC000237603006 553079970 /nfs/dbraw/zinc/07/99/70/553079970.db2.gz IKGPFYXZDQXPDC-OLZOCXBDSA-N 1 0 382.302 2.530 20 0 GFADRO O=S(=O)(Cc1cccc(C(F)(F)F)c1)N1CCC([NH2+]CC2CC2)CC1 ZINC000237679965 553080561 /nfs/dbraw/zinc/08/05/61/553080561.db2.gz VANJGVVXGJRGBW-UHFFFAOYSA-N 1 0 376.444 2.999 20 0 GFADRO O=C(NC[C@H]1CCCN(C(=O)c2cc(Cl)ccc2Cl)C1)[C@@H]1CCC[NH2+]1 ZINC000237713877 553081277 /nfs/dbraw/zinc/08/12/77/553081277.db2.gz UYNHXTFXMRQHQJ-WBMJQRKESA-N 1 0 384.307 2.714 20 0 GFADRO [NH3+]C[C@H](C(=O)N[C@@H]1CCN(c2ccc(Br)cc2)C1)c1ccccc1 ZINC000237831176 553082751 /nfs/dbraw/zinc/08/27/51/553082751.db2.gz FBTXTUHEPMXDGF-AEFFLSMTSA-N 1 0 388.309 2.887 20 0 GFADRO O=C(CC1CC[NH2+]CC1)N1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000237833870 553082957 /nfs/dbraw/zinc/08/29/57/553082957.db2.gz PWRQFNFTYRPZJT-UHFFFAOYSA-N 1 0 384.307 2.668 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H](C(=O)Nc2cc(Br)ccc2N2CCOCC2)C1 ZINC000237876412 553083494 /nfs/dbraw/zinc/08/34/94/553083494.db2.gz MDFAMGDIRHLWDF-TZMCWYRMSA-N 1 0 382.302 2.742 20 0 GFADRO O=C(N[C@@H]1CCC[NH2+]C1)[C@@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000237861539 553083588 /nfs/dbraw/zinc/08/35/88/553083588.db2.gz GZTRSSVVDQBRKX-ZIAGYGMSSA-N 1 0 384.307 2.714 20 0 GFADRO [NH3+]C1(CC(=O)N2CCC(C(=O)Nc3ccc(Br)cc3)CC2)CCC1 ZINC000237981426 553084508 /nfs/dbraw/zinc/08/45/08/553084508.db2.gz GKASJJRLTPENJD-UHFFFAOYSA-N 1 0 394.313 2.898 20 0 GFADRO Nc1ccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccc(Br)cc2)cn1 ZINC000237990046 553084619 /nfs/dbraw/zinc/08/46/19/553084619.db2.gz NGOPLXRKHGWUMX-AWEZNQCLSA-N 1 0 389.253 2.670 20 0 GFADRO [NH3+][C@H]1CCC[C@@H](C(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)C1 ZINC000238024858 553084992 /nfs/dbraw/zinc/08/49/92/553084992.db2.gz QRDIYWAUCIEMIK-OLZOCXBDSA-N 1 0 385.917 2.581 20 0 GFADRO [NH3+]C[C@@H](NC(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1)C1CC1 ZINC000238083459 553085814 /nfs/dbraw/zinc/08/58/14/553085814.db2.gz COQIQJZZZVEWEQ-XJKSGUPXSA-N 1 0 384.307 2.699 20 0 GFADRO NC(=O)CC[C@@H]1CCC[N@H+](C[C@@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000245394787 553089566 /nfs/dbraw/zinc/08/95/66/553089566.db2.gz GNLWDLHMCZNSSY-GXTWGEPZSA-N 1 0 375.296 2.711 20 0 GFADRO Cc1cc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](CC(N)=O)C2)ccc1Br ZINC000245407681 553090101 /nfs/dbraw/zinc/09/01/01/553090101.db2.gz CGXGRQKVIADGSD-OLZOCXBDSA-N 1 0 382.302 2.672 20 0 GFADRO CN(Cc1cc(Br)cs1)C(=O)C[N@H+](C)C[C@@H]1CCCC[C@H]1O ZINC000245546119 553092186 /nfs/dbraw/zinc/09/21/86/553092186.db2.gz LZELRTDSQZIBJI-SWLSCSKDSA-N 1 0 389.359 2.952 20 0 GFADRO CC1(C)[C@H]([NH2+]CCNC(=O)c2cccc(Br)c2)[C@H]2CCCO[C@H]21 ZINC000245825251 553097968 /nfs/dbraw/zinc/09/79/68/553097968.db2.gz ATLDFAJOMVUPBL-BZUAXINKSA-N 1 0 381.314 2.972 20 0 GFADRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)NCCc2nc(C(F)(F)F)cs2)C1 ZINC000246019792 553100844 /nfs/dbraw/zinc/10/08/44/553100844.db2.gz UXFMPGJQDFRPMO-RYUDHWBXSA-N 1 0 376.448 2.830 20 0 GFADRO O[C@@H](COc1ccc(Br)cc1)CN1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246128385 553102840 /nfs/dbraw/zinc/10/28/40/553102840.db2.gz BGNCHRNWXNPYKX-DOTOQJQBSA-N 1 0 383.330 2.607 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2ccc(Br)cc2)[C@@H](C)C1 ZINC000246114086 553102997 /nfs/dbraw/zinc/10/29/97/553102997.db2.gz ILODDXHALHVUOH-WFASDCNBSA-N 1 0 375.332 2.800 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2ccc(OC(F)(F)F)cc2)[C@@H](C)C1 ZINC000246258199 553105061 /nfs/dbraw/zinc/10/50/61/553105061.db2.gz UBOBNDVVSQEQCZ-SWLSCSKDSA-N 1 0 380.432 2.936 20 0 GFADRO C[C@@H]1C[C@H]([NH2+]C[C@H]2CCN(S(C)(=O)=O)C2)c2cccc(Br)c21 ZINC000246477419 553108532 /nfs/dbraw/zinc/10/85/32/553108532.db2.gz RAJOYFQFERDCQJ-JMSVASOKSA-N 1 0 387.343 2.869 20 0 GFADRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2cc(Br)c3c(c2)OCCO3)C1 ZINC000246535512 553108954 /nfs/dbraw/zinc/10/89/54/553108954.db2.gz GGFJPYKZZPFBPJ-SWLSCSKDSA-N 1 0 395.297 2.777 20 0 GFADRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2S(=O)(=O)c2ccc(F)c(Br)c2)C1 ZINC000246525130 553109153 /nfs/dbraw/zinc/10/91/53/553109153.db2.gz CLUSQVFZLQMSPW-XHDPSFHLSA-N 1 0 391.306 2.693 20 0 GFADRO CC[C@@H]1CN(C(=O)c2cc3ccc(Br)cc3[nH]2)CC[N@@H+]1C[C@H](C)O ZINC000246857427 553114431 /nfs/dbraw/zinc/11/44/31/553114431.db2.gz NGNHBUNZCLEKPX-SWLSCSKDSA-N 1 0 394.313 2.848 20 0 GFADRO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C[C@@H]1Sc2ccc(Cl)cc2NC1=O ZINC000246992992 553116302 /nfs/dbraw/zinc/11/63/02/553116302.db2.gz HYLHQTXSMSILDR-ZBFHGGJFSA-N 1 0 381.929 2.942 20 0 GFADRO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)c1cc(Br)cn1C ZINC000246988513 553116677 /nfs/dbraw/zinc/11/66/77/553116677.db2.gz LHFKGPQSRJQMQF-CZUORRHYSA-N 1 0 391.313 2.823 20 0 GFADRO COC(=O)CSCCC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000246997533 553117489 /nfs/dbraw/zinc/11/74/89/553117489.db2.gz UCOCAZLAPCYEJH-RHSMWYFYSA-N 1 0 388.892 2.637 20 0 GFADRO CC[C@@H]1CN(C(=O)c2cc3c(cccc3Br)[nH]2)CC[N@@H+]1C[C@H](C)O ZINC000247073231 553117823 /nfs/dbraw/zinc/11/78/23/553117823.db2.gz ZXBVXIFFFRHJIM-QWHCGFSZSA-N 1 0 394.313 2.848 20 0 GFADRO CNC(=O)[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccc(Br)c(C)c2)C1 ZINC000247498805 553122579 /nfs/dbraw/zinc/12/25/79/553122579.db2.gz HWJNXAVTQOKCSU-CHWSQXEVSA-N 1 0 382.302 2.543 20 0 GFADRO O[C@H](COc1c(Cl)cccc1Cl)C[N@@H+]1CCC[C@H]1CN1CCOCC1 ZINC000247461238 553122625 /nfs/dbraw/zinc/12/26/25/553122625.db2.gz IJRZQUFPWUAIFO-GJZGRUSLSA-N 1 0 389.323 2.530 20 0 GFADRO C[C@@H](C(=O)Nc1ccc(Br)cc1)[N@@H+]1CC[C@@H](c2cnn(C)c2)C1 ZINC000247548148 553123921 /nfs/dbraw/zinc/12/39/21/553123921.db2.gz RWUIQAQMTUATGZ-QWHCGFSZSA-N 1 0 377.286 2.999 20 0 GFADRO O=C(Nc1cc(Cl)cc(Cl)c1)[C@@H]1CCC[N@H+]1C[C@H](O)Cn1cccn1 ZINC000247593884 553123965 /nfs/dbraw/zinc/12/39/65/553123965.db2.gz JZEJILGTWCQXHI-HOTGVXAUSA-N 1 0 383.279 2.654 20 0 GFADRO O=S(=O)(C[C@H]1CCCO1)N[C@@H]1CCCN(Cc2ccc(F)cc2Cl)C1 ZINC000247557272 553124327 /nfs/dbraw/zinc/12/43/27/553124327.db2.gz RCEFMSKHICFQAH-HZPDHXFCSA-N 1 0 390.908 2.542 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2ccc(Br)cc2F)[C@@H](C)C1 ZINC000248475433 553130620 /nfs/dbraw/zinc/13/06/20/553130620.db2.gz MVPFFXPRARNMKX-SMDDNHRTSA-N 1 0 393.322 2.939 20 0 GFADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2ccsc2Cl)[C@@H](C)C1 ZINC000249084280 553139056 /nfs/dbraw/zinc/13/90/56/553139056.db2.gz BFKRNBJDMQAWRH-STQMWFEESA-N 1 0 387.933 2.593 20 0 GFADRO Cc1cc(Br)cc(NC(=O)C(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000249130628 553139352 /nfs/dbraw/zinc/13/93/52/553139352.db2.gz CZWABTMPIOWUNJ-WFASDCNBSA-N 1 0 382.302 2.637 20 0 GFADRO C[C@@H](NC(=O)CN1CC[N@@H+](C[C@H](C)O)C[C@H]1C)c1ccc(Cl)c(Cl)c1 ZINC000249208603 553141094 /nfs/dbraw/zinc/14/10/94/553141094.db2.gz CGFIMSLFJZNLGD-HZSPNIEDSA-N 1 0 388.339 2.558 20 0 GFADRO C[C@H](O)C[N@@H+]1CCN(Cc2ccc(Br)c3cccnc23)[C@@H](C)C1 ZINC000249505649 553143900 /nfs/dbraw/zinc/14/39/00/553143900.db2.gz KQSONZSKYCVOOV-KBPBESRZSA-N 1 0 378.314 2.884 20 0 GFADRO C[C@H]1C[N@H+](CCCOc2cccc(I)c2)CC[C@H]1O ZINC000249578866 553144864 /nfs/dbraw/zinc/14/48/64/553144864.db2.gz QGIOWROZPYEQPG-SWLSCSKDSA-N 1 0 375.250 2.763 20 0 GFADRO Cc1cc(NC(=O)CN(C)[C@@H]2c3cc(Cl)cc(Cl)c3C[C@H]2O)n(C)n1 ZINC000249747903 553146234 /nfs/dbraw/zinc/14/62/34/553146234.db2.gz OJUUMXITMNFLBN-RHSMWYFYSA-N 1 0 383.279 2.564 20 0 GFADRO C[C@@H]1CCN(Cc2nc(-c3ccc(Br)cc3)c[nH]2)[C@@H](C(N)=O)C1 ZINC000250109468 553147471 /nfs/dbraw/zinc/14/74/71/553147471.db2.gz SQJVHYAWRGBFRH-IAQYHMDHSA-N 1 0 377.286 2.925 20 0 GFADRO O=S(=O)(C[C@H](O)C[NH2+][C@H]1CC[C@H](Cc2ccccc2)C1)c1cccs1 ZINC000253133055 553150353 /nfs/dbraw/zinc/15/03/53/553150353.db2.gz XNXTYECQLSSIRK-FGTMMUONSA-N 1 0 379.547 2.884 20 0 GFADRO [NH3+][C@@H]1CN(S(=O)(=O)c2sccc2Br)C[C@H]1c1ccccc1 ZINC000261630734 553154587 /nfs/dbraw/zinc/15/45/87/553154587.db2.gz FICJUDWUSMPJRW-WCQYABFASA-N 1 0 387.324 2.626 20 0 GFADRO O=C(NC[C@H]1CCCN(Cc2cc(F)ccc2Br)C1)[C@H]1CCC[NH2+]1 ZINC000261665679 553155770 /nfs/dbraw/zinc/15/57/70/553155770.db2.gz LCWDXDOFNMDYEW-CXAGYDPISA-N 1 0 398.320 2.668 20 0 GFADRO Cc1cc(C[NH+]2CCC(c3nnc4n3CCNC4)CC2)ccc1Br ZINC000261673114 553155798 /nfs/dbraw/zinc/15/57/98/553155798.db2.gz GYRHKONDKFOSOP-UHFFFAOYSA-N 1 0 390.329 2.832 20 0 GFADRO O=C(NC[C@@H]1CCCN(Cc2cc(F)ccc2Br)C1)[C@H]1CCC[NH2+]1 ZINC000261665689 553156096 /nfs/dbraw/zinc/15/60/96/553156096.db2.gz LCWDXDOFNMDYEW-SUMWQHHRSA-N 1 0 398.320 2.668 20 0 GFADRO COCC1(CNC(=O)c2cc(Cl)ccc2Br)CC[NH2+]CC1 ZINC000261716400 553157421 /nfs/dbraw/zinc/15/74/21/553157421.db2.gz PQDOECGBVHIZFW-UHFFFAOYSA-N 1 0 375.694 2.849 20 0 GFADRO O=C(c1ccc2cc(Br)ccc2c1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000261749987 553157999 /nfs/dbraw/zinc/15/79/99/553157999.db2.gz URTRNVAIMTZZES-GOSISDBHSA-N 1 0 388.309 2.722 20 0 GFADRO O=S(=O)(NCC[C@@H]1CCC[NH2+]C1)c1c(Cl)cccc1Br ZINC000261743659 553158011 /nfs/dbraw/zinc/15/80/11/553158011.db2.gz MGRRLNLLJSMRAP-JTQLQIEISA-N 1 0 381.723 2.771 20 0 GFADRO O=C(NC[C@@H]1CCCN(Cc2ccc(Br)cc2F)C1)[C@@H]1CCC[NH2+]1 ZINC000261770587 553158443 /nfs/dbraw/zinc/15/84/43/553158443.db2.gz WXBLPVOOUZMRED-GUYCJALGSA-N 1 0 398.320 2.668 20 0 GFADRO COC(=O)C[C@@H](NC(=O)CC[C@H]1CC[NH2+]C1)c1ccc(Br)cc1 ZINC000261774778 553158550 /nfs/dbraw/zinc/15/85/50/553158550.db2.gz JCXPIAYOZOEQDB-SWLSCSKDSA-N 1 0 383.286 2.559 20 0 GFADRO C[C@]1(C[NH3+])CCN(C(=O)CCC[S@](=O)c2ccc(Br)cc2)C1 ZINC000261782229 553159060 /nfs/dbraw/zinc/15/90/60/553159060.db2.gz GDTSVAGWBCGBCK-ZHRRBRCNSA-N 1 0 387.343 2.534 20 0 GFADRO O=C(CN1CC[NH2+]C[C@H]1c1cccc(F)c1)Nc1ccc(Br)cn1 ZINC000261794909 553159276 /nfs/dbraw/zinc/15/92/76/553159276.db2.gz QKVXFZLIXCZNAM-HNNXBMFYSA-N 1 0 393.260 2.568 20 0 GFADRO CSC1(CNC(=O)[C@@](C)([NH3+])c2ccc(Br)cc2)CCOCC1 ZINC000261871894 553161646 /nfs/dbraw/zinc/16/16/46/553161646.db2.gz XZGACARZMFOJQZ-HNNXBMFYSA-N 1 0 387.343 2.651 20 0 GFADRO C[C@@H](NC(=O)CN(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(Br)cc1 ZINC000261822796 553160577 /nfs/dbraw/zinc/16/05/77/553160577.db2.gz WUSXJUYHCQPZIF-AJSFGMTHSA-N 1 0 380.330 2.841 20 0 GFADRO O=S(=O)(CCN1CC[NH2+]Cc2ccccc21)c1ccc(Br)cc1 ZINC000261827600 553160700 /nfs/dbraw/zinc/16/07/00/553160700.db2.gz XGRXUCMZXPNWJC-UHFFFAOYSA-N 1 0 395.322 2.833 20 0 GFADRO O=C(Nc1ccc(N2CC[NH2+]CC2)cn1)c1cc(F)cc(Br)c1 ZINC000261870749 553161466 /nfs/dbraw/zinc/16/14/66/553161466.db2.gz LHAIADIUULZDMC-UHFFFAOYSA-N 1 0 379.233 2.645 20 0 GFADRO CC1(C)CN(C(=O)[C@@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)CC[C@H]1[NH3+] ZINC000261938088 553162712 /nfs/dbraw/zinc/16/27/12/553162712.db2.gz XDKDRJVLNAQYFO-SWLSCSKDSA-N 1 0 384.307 2.932 20 0 GFADRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)[C@@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1 ZINC000261914274 553163066 /nfs/dbraw/zinc/16/30/66/553163066.db2.gz YOTOEOIVOOKUCD-WQGACYEGSA-N 1 0 384.307 2.794 20 0 GFADRO O=C(c1cc(=O)[nH]c2c(Br)cccc12)N1CCC2(CC[NH2+]C2)CC1 ZINC000261914740 553163089 /nfs/dbraw/zinc/16/30/89/553163089.db2.gz XZESENLXBIZABW-UHFFFAOYSA-N 1 0 390.281 2.919 20 0 GFADRO COc1cc(Br)c(CN2CC[NH2+]C[C@H]2c2ccncc2)cc1O ZINC000261967114 553163594 /nfs/dbraw/zinc/16/35/94/553163594.db2.gz HWBAOAWPGUYKIG-HNNXBMFYSA-N 1 0 378.270 2.705 20 0 GFADRO C[NH2+]CCC(=O)N1CCC[C@H]1c1nc(Cc2ccc(Br)cc2)no1 ZINC000261999092 553163920 /nfs/dbraw/zinc/16/39/20/553163920.db2.gz ASKIZYMTUVREPD-AWEZNQCLSA-N 1 0 393.285 2.696 20 0 GFADRO O=C(Cc1csc(-c2ccc(Cl)s2)n1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000262048651 553164751 /nfs/dbraw/zinc/16/47/51/553164751.db2.gz MHHGBNVNWWSEKH-ZDUSSCGKSA-N 1 0 396.969 2.574 20 0 GFADRO Cc1c2cc(Br)ccc2oc1C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000262060104 553165149 /nfs/dbraw/zinc/16/51/49/553165149.db2.gz NVMMUKKJVLVLEP-CQSZACIVSA-N 1 0 392.297 2.623 20 0 GFADRO Cc1cccc(S(=O)(=O)N(CC[NH3+])CCc2ccccc2)c1Br ZINC000262093958 553165918 /nfs/dbraw/zinc/16/59/18/553165918.db2.gz VATZOYXXWUBIPO-UHFFFAOYSA-N 1 0 397.338 2.950 20 0 GFADRO Fc1ccc(I)c(F)c1CN1CC[C@]2(CC[NH2+]C2)C1 ZINC000262112425 553165980 /nfs/dbraw/zinc/16/59/80/553165980.db2.gz WOPZFZMHLPBIOS-AWEZNQCLSA-N 1 0 378.204 2.755 20 0 GFADRO CCS(=O)(=O)c1cccc(C(=O)Nc2ncc(C3CC[NH2+]CC3)s2)c1 ZINC000262144613 553166610 /nfs/dbraw/zinc/16/66/10/553166610.db2.gz YGKKPJFFIFVRBR-UHFFFAOYSA-N 1 0 379.507 2.656 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000262260495 553167892 /nfs/dbraw/zinc/16/78/92/553167892.db2.gz UMBPWYVETAEUKW-WQVCFCJDSA-N 1 0 394.313 2.733 20 0 GFADRO O=C(NC[C@@H]1CCCN(Cc2cc(Br)cs2)C1)[C@H]1CCC[NH2+]1 ZINC000262301058 553168596 /nfs/dbraw/zinc/16/85/96/553168596.db2.gz OPMCPKWVEOZRCH-SWLSCSKDSA-N 1 0 386.359 2.591 20 0 GFADRO COC[C@H]([NH3+])C(=O)Nc1cc(C)nn1-c1cc(C(F)(F)F)ccc1Cl ZINC000262296914 553168646 /nfs/dbraw/zinc/16/86/46/553168646.db2.gz ZJLCKQWCCYWMDT-NSHDSACASA-N 1 0 376.766 2.765 20 0 GFADRO C[C@H](C(=O)Nc1ccc(CCn2cc(Br)cn2)cc1)C1C[NH2+]C1 ZINC000262319397 553169362 /nfs/dbraw/zinc/16/93/62/553169362.db2.gz CPBPQNCNZHNYJE-LBPRGKRZSA-N 1 0 377.286 2.682 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CCCCN1S(=O)(=O)c1cccc(Br)c1Cl ZINC000262369693 553169886 /nfs/dbraw/zinc/16/98/86/553169886.db2.gz WOPYFGVTLGWXPB-MWLCHTKSSA-N 1 0 381.723 2.993 20 0 GFADRO C[C@@H](CNC(=O)C1(C[NH3+])CCOCC1)Sc1ccc(Br)cc1 ZINC000262374127 553169995 /nfs/dbraw/zinc/16/99/95/553169995.db2.gz WMPHCVJJXHOEKG-LBPRGKRZSA-N 1 0 387.343 2.801 20 0 GFADRO COc1cc(CN(C)C(=O)c2csc(CC[NH3+])n2)c(SC)cc1OC ZINC000262432313 553170940 /nfs/dbraw/zinc/17/09/40/553170940.db2.gz WQCFYOXUSUFYNF-UHFFFAOYSA-N 1 0 381.523 2.656 20 0 GFADRO C[NH2+][C@H](C(=O)N(C)CC1(c2ccc(Br)cc2)CC1)c1cnn(C)c1 ZINC000262562862 553172445 /nfs/dbraw/zinc/17/24/45/553172445.db2.gz QZRSITANSKRHJW-INIZCTEOSA-N 1 0 391.313 2.633 20 0 GFADRO O=C([C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262603214 553173008 /nfs/dbraw/zinc/17/30/08/553173008.db2.gz ARHSSSKGARGMRF-MBNYWOFBSA-N 1 0 382.291 2.699 20 0 GFADRO O=C(NCC[C@H]1CC[NH2+]C1)[C@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 ZINC000262589018 553173119 /nfs/dbraw/zinc/17/31/19/553173119.db2.gz QFMUWLNFMTXSRO-MLGOLLRUSA-N 1 0 384.307 2.714 20 0 GFADRO CC(C)([NH3+])CNC(=O)c1ccc(NC(=O)c2ccc(Br)o2)cc1 ZINC000262659536 553173602 /nfs/dbraw/zinc/17/36/02/553173602.db2.gz YSGZMXIYMVMYJY-UHFFFAOYSA-N 1 0 380.242 2.762 20 0 GFADRO CCCOc1c(Br)cc(C(=O)N[C@H]2CC[NH2+]C[C@H]2C)cc1OC ZINC000262709143 553173974 /nfs/dbraw/zinc/17/39/74/553173974.db2.gz CEHRVZFUFPUVEY-RISCZKNCSA-N 1 0 385.302 2.974 20 0 GFADRO O=S(=O)(c1cc(Br)ccc1Cl)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262737247 553174741 /nfs/dbraw/zinc/17/47/41/553174741.db2.gz HJACVOVJESJPEB-MNOVXSKESA-N 1 0 379.707 2.618 20 0 GFADRO C[C@H](Cc1ccccc1Br)NC(=O)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000262774035 553175659 /nfs/dbraw/zinc/17/56/59/553175659.db2.gz MPUMUKQECHFFJS-HIFRSBDPSA-N 1 0 391.313 2.931 20 0 GFADRO C[C@@H](Cc1ccc(Br)cc1)NC(=O)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000262798370 553176191 /nfs/dbraw/zinc/17/61/91/553176191.db2.gz PALSKZCVYJAPGW-BBRMVZONSA-N 1 0 391.313 2.931 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)CCc2nc(-c3cc(Br)cs3)no2)CC[NH2+]1 ZINC000262870153 553178001 /nfs/dbraw/zinc/17/80/01/553178001.db2.gz MGNDQYFGFIRCDE-MWLCHTKSSA-N 1 0 399.314 2.750 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)[C@H]2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)CC[NH2+]1 ZINC000262951100 553179432 /nfs/dbraw/zinc/17/94/32/553179432.db2.gz VLIBDBWESCEAAS-XFBWCDHKSA-N 1 0 384.307 2.855 20 0 GFADRO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000262946051 553179633 /nfs/dbraw/zinc/17/96/33/553179633.db2.gz VBWNIBLIDGDOLM-SKDRFNHKSA-N 1 0 379.254 2.734 20 0 GFADRO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000262946041 553179671 /nfs/dbraw/zinc/17/96/71/553179671.db2.gz VBWNIBLIDGDOLM-BXKDBHETSA-N 1 0 379.254 2.734 20 0 GFADRO Cc1csc(Sc2ccc(NC(=O)C(=O)NC[C@@H](C)[NH+](C)C)cc2)n1 ZINC000263646552 553190147 /nfs/dbraw/zinc/19/01/47/553190147.db2.gz BVIIMNPMGHEGJK-GFCCVEGCSA-N 1 0 378.523 2.608 20 0 GFADRO COCCC[NH+]1CCC(NC(=O)NCc2csc(Br)c2)CC1 ZINC000263717519 553191739 /nfs/dbraw/zinc/19/17/39/553191739.db2.gz FHIQWVUAKFGQLE-UHFFFAOYSA-N 1 0 390.347 2.811 20 0 GFADRO COc1cc(Br)c(C[NH2+][C@H]2CCN(CC(F)F)C2)c(OC)c1 ZINC000418142430 563899884 /nfs/dbraw/zinc/89/98/84/563899884.db2.gz YEUAXTAWWFLVQC-JTQLQIEISA-N 1 0 379.245 2.895 20 0 GFADRO COc1cc(C[NH2+]CC2=CCOCC2)cc(I)c1OC ZINC000449404592 564184796 /nfs/dbraw/zinc/18/47/96/564184796.db2.gz VLSPTKNRJDBKBC-UHFFFAOYSA-N 1 0 389.233 2.745 20 0 GFADRO CN(C[C@H]1CCC[N@H+](C)C1)S(=O)(=O)c1cccc(Br)c1F ZINC000541385898 564277133 /nfs/dbraw/zinc/27/71/33/564277133.db2.gz CVADPMPEMFVZLE-NSHDSACASA-N 1 0 379.295 2.551 20 0 GFADRO Cc1ccc(I)cc1C(=O)N(C)[C@@H]1C[NH+]2CCC1CC2 ZINC000477239226 564370989 /nfs/dbraw/zinc/37/09/89/564370989.db2.gz ILXUEDAJIVQFRE-OAHLLOKOSA-N 1 0 384.261 2.766 20 0 GFADRO [NH3+]CC12CCC(CC1)CN2S(=O)(=O)c1cc(Br)ccc1Cl ZINC000568245075 564411336 /nfs/dbraw/zinc/41/13/36/564411336.db2.gz CYUPUJRIBBGCFV-UHFFFAOYSA-N 1 0 393.734 2.995 20 0 GFADRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)Nc1c(C)ccc(F)c1Br ZINC000453621988 564460358 /nfs/dbraw/zinc/46/03/58/564460358.db2.gz AHKXZMXIXXOADU-LLVKDONJSA-N 1 0 388.281 2.682 20 0 GFADRO CC[N@@H+]1CCC[C@H](CNS(=O)(=O)c2cc(Br)c(F)cc2C)C1 ZINC000480704039 564483375 /nfs/dbraw/zinc/48/33/75/564483375.db2.gz YXJQOFLRMWCDSF-GFCCVEGCSA-N 1 0 393.322 2.907 20 0 GFADRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)NCc1nc(C)c(Br)s1 ZINC000454484195 564511415 /nfs/dbraw/zinc/51/14/15/564511415.db2.gz KZIJKJTXFPKRDK-LLVKDONJSA-N 1 0 375.336 2.888 20 0 GFADRO O=C(Nc1ccc(I)cc1)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000373087752 563328200 /nfs/dbraw/zinc/32/82/00/563328200.db2.gz NPSOTXNAANKCAH-CQSZACIVSA-N 1 0 385.249 2.993 20 0 GFADRO C[C@H](CCCNC(=O)OC(C)(C)C)[NH2+]Cc1c(Br)cnn1C ZINC000294697486 563213055 /nfs/dbraw/zinc/21/30/55/563213055.db2.gz CCYUMHQFEUBWTC-LLVKDONJSA-N 1 0 375.311 2.966 20 0 GFADRO [NH3+]C[C@H]1CC[C@@H](NC(=O)NCCc2c[nH]c3cccc(Br)c23)C1 ZINC000418197138 563213297 /nfs/dbraw/zinc/21/32/97/563213297.db2.gz IXEWNRSQEMIXGW-WCQYABFASA-N 1 0 379.302 2.900 20 0 GFADRO C[C@@H]1CN(C(=O)NCCc2c[nH]c3cccc(Br)c23)CC[C@@H]1[NH3+] ZINC000418196904 563213366 /nfs/dbraw/zinc/21/33/66/563213366.db2.gz IMTQRKSEEOKCRI-RISCZKNCSA-N 1 0 379.302 2.852 20 0 GFADRO Cc1nn(C)cc1[C@@H](C)[NH2+][C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000277555150 563213598 /nfs/dbraw/zinc/21/35/98/563213598.db2.gz RGZOOMFKIGSZFB-BDJLRTHQSA-N 1 0 377.286 2.947 20 0 GFADRO C[C@@H]([NH3+])c1ccc(CNC(=O)N[C@H](C)c2ncc(Br)cn2)cc1 ZINC000418223466 563213856 /nfs/dbraw/zinc/21/38/56/563213856.db2.gz YYHSNIYDCRSGGT-GHMZBOCLSA-N 1 0 378.274 2.819 20 0 GFADRO Cc1cc(N2CC[C@H]([NH2+][C@H]3CCc4sc(Br)cc43)C2=O)n(C)n1 ZINC000294723049 563214733 /nfs/dbraw/zinc/21/47/33/563214733.db2.gz KEIKYFGRAWGNHX-RYUDHWBXSA-N 1 0 395.326 2.935 20 0 GFADRO [NH3+][C@@H]1CCC[C@H](CNC(=O)NCc2nc3c(cccc3Br)[nH]2)C1 ZINC000418256169 563214916 /nfs/dbraw/zinc/21/49/16/563214916.db2.gz BQYYFNMDDSLRGT-WDEREUQCSA-N 1 0 380.290 2.642 20 0 GFADRO CO[C@@H]1CCN(C(=O)NC/C=C\c2ccc(Br)cc2)[C@@H](C[NH3+])C1 ZINC000418265822 563215040 /nfs/dbraw/zinc/21/50/40/563215040.db2.gz LDWFOPRZJIINFY-INQOVCNISA-N 1 0 382.302 2.610 20 0 GFADRO O=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)C(=O)Nc1cccc(Br)c1 ZINC000277584612 563215306 /nfs/dbraw/zinc/21/53/06/563215306.db2.gz UWUPRCMHDGSHSP-HNNXBMFYSA-N 1 0 380.286 2.521 20 0 GFADRO Cc1cc(CNC(=O)N2CCC(OCCC[NH3+])CC2)ccc1Br ZINC000418286314 563215541 /nfs/dbraw/zinc/21/55/41/563215541.db2.gz XUGGCUGNUVCFAQ-UHFFFAOYSA-N 1 0 384.318 2.797 20 0 GFADRO Cc1cc([C@@H]2CCCN2C(=O)NCCN2CC[NH2+]CC2)ccc1Br ZINC000418301199 563215677 /nfs/dbraw/zinc/21/56/77/563215677.db2.gz RDVHUCBUQQGYJO-KRWDZBQOSA-N 1 0 395.345 2.509 20 0 GFADRO CC(C)[C@H]([NH3+])CNC(=O)N1CCC(Oc2cccc(Br)c2)CC1 ZINC000418384295 563216277 /nfs/dbraw/zinc/21/62/77/563216277.db2.gz KBKLQZMZRKKGCO-MRXNPFEDSA-N 1 0 384.318 2.985 20 0 GFADRO COc1ccc(S(=O)(=O)NC[C@@H]2CC[N@H+](C)[C@@H]2c2cccs2)cc1F ZINC000369540330 563216442 /nfs/dbraw/zinc/21/64/42/563216442.db2.gz NGCCSJGRRLPGGN-SJCJKPOMSA-N 1 0 384.498 2.867 20 0 GFADRO C[NH2+]C[C@@H](C)CNC(=O)N(CCOC)Cc1ccc(Br)s1 ZINC000418361721 563216465 /nfs/dbraw/zinc/21/64/65/563216465.db2.gz ATWIVIQASOVUBO-LLVKDONJSA-N 1 0 378.336 2.524 20 0 GFADRO CC(C)[C@@H]([NH3+])CNC(=O)N1CCO[C@H](c2ccc(F)c(Br)c2)C1 ZINC000418384581 563216491 /nfs/dbraw/zinc/21/64/91/563216491.db2.gz KJAKZBGSZGQCQY-GJZGRUSLSA-N 1 0 388.281 2.654 20 0 GFADRO C[NH2+]C[C@H](C)CNC(=O)N1CCN(CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000418392886 563216548 /nfs/dbraw/zinc/21/65/48/563216548.db2.gz QERJTRPESAYVLH-AWEZNQCLSA-N 1 0 387.355 2.719 20 0 GFADRO [NH3+]C[C@@H](NC(=O)N1CCC[C@H]1c1ccccc1I)C1CC1 ZINC000418391144 563216674 /nfs/dbraw/zinc/21/66/74/563216674.db2.gz BUJAHZQFMTVVHZ-CABCVRRESA-N 1 0 399.276 2.875 20 0 GFADRO Cc1ccc(-n2nc(Br)cc2C(=O)N[C@H]2CC[NH2+]C[C@H]2C)cc1 ZINC000277628326 563217446 /nfs/dbraw/zinc/21/74/46/563217446.db2.gz RGLWUQQXIDFNCU-OCCSQVGLSA-N 1 0 377.286 2.671 20 0 GFADRO [NH3+]C[C@H](NC(=O)N1CCN(CCc2ccc(Cl)c(Cl)c2)CC1)C1CC1 ZINC000418462012 563217800 /nfs/dbraw/zinc/21/78/00/563217800.db2.gz LDTUOELWMGLYJC-KRWDZBQOSA-N 1 0 385.339 2.600 20 0 GFADRO C[C@H](C[NH3+])CNC(=O)N(Cc1cccc(Br)c1)C1CCOCC1 ZINC000418470201 563217850 /nfs/dbraw/zinc/21/78/50/563217850.db2.gz KXHKOKNNZBCFRK-CYBMUJFWSA-N 1 0 384.318 2.735 20 0 GFADRO COCCN(Cc1sccc1Br)C(=O)N[C@@H]1CCC[C@@H]1C[NH3+] ZINC000418465538 563217964 /nfs/dbraw/zinc/21/79/64/563217964.db2.gz NGBIVVMHHUKXRZ-DGCLKSJQSA-N 1 0 390.347 2.796 20 0 GFADRO C[C@@H]1[C@@H](c2ccc(Br)cc2)OCCN1C(=O)NC[C@H]([NH3+])C1CC1 ZINC000418483385 563218587 /nfs/dbraw/zinc/21/85/87/563218587.db2.gz CCPZDLDMKPQWPZ-RLCCDNCMSA-N 1 0 382.302 2.658 20 0 GFADRO Cc1cc(Br)cn2cc(CCNC(=O)c3cc4n(n3)CCC4)nc12 ZINC000294863763 563219272 /nfs/dbraw/zinc/21/92/72/563219272.db2.gz DKMIJSZMVFVBSA-UHFFFAOYSA-N 1 0 388.269 2.520 20 0 GFADRO C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)NCCCC[NH3+])CC1 ZINC000418533170 563219352 /nfs/dbraw/zinc/21/93/52/563219352.db2.gz UYOOSIFJQSFFAO-AWEZNQCLSA-N 1 0 383.334 2.576 20 0 GFADRO C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)NCCCC[NH3+])CC1 ZINC000418533171 563219662 /nfs/dbraw/zinc/21/96/62/563219662.db2.gz UYOOSIFJQSFFAO-CQSZACIVSA-N 1 0 383.334 2.576 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H](NC(=O)N2CCO[C@@H](c3ccc(Br)cc3)C2)C1 ZINC000418572098 563219954 /nfs/dbraw/zinc/21/99/54/563219954.db2.gz DYXHHFVFQLVREW-BZUAXINKSA-N 1 0 382.302 2.802 20 0 GFADRO O=C(NCC1=CC[NH2+]CC1)N1CC[C@H](Cc2ccc(Br)cc2)C1 ZINC000418538455 563220137 /nfs/dbraw/zinc/22/01/37/563220137.db2.gz LDXJBOCYFOUFSL-MRXNPFEDSA-N 1 0 378.314 2.943 20 0 GFADRO O[C@@H]1COCCN(Cc2cc(Br)ccc2OCc2ccccn2)C1 ZINC000294880986 563220355 /nfs/dbraw/zinc/22/03/55/563220355.db2.gz VOLIDXBLLUNWOH-KRWDZBQOSA-N 1 0 393.281 2.616 20 0 GFADRO O=C(NC[C@@H](O)c1ccc(Cl)cc1Cl)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000369658338 563220556 /nfs/dbraw/zinc/22/05/56/563220556.db2.gz WKTVJVZMIXCYRJ-BLLLJJGKSA-N 1 0 383.279 2.578 20 0 GFADRO CCN(CCOc1ccc(Br)cc1)C(=O)N[C@H]1CC[NH2+][C@@H](C)C1 ZINC000418599688 563220701 /nfs/dbraw/zinc/22/07/01/563220701.db2.gz JQIUEWGRLKXULR-ZFWWWQNUSA-N 1 0 384.318 3.000 20 0 GFADRO C[NH+](C)C[C@H]1CCN(C(=O)c2ccn(-c3ccc(Br)cc3)n2)C1 ZINC000294903312 563221046 /nfs/dbraw/zinc/22/10/46/563221046.db2.gz WAHAGLXOLFIEEA-CYBMUJFWSA-N 1 0 377.286 2.659 20 0 GFADRO COCC1(CNC(=O)N2CCc3ccc(Br)cc3C2)CC[NH2+]CC1 ZINC000418636158 563221350 /nfs/dbraw/zinc/22/13/50/563221350.db2.gz GPJCVOZAGLFTPX-UHFFFAOYSA-N 1 0 396.329 2.533 20 0 GFADRO COCC1(CNC(=O)N(C)Cc2csc(Br)c2)CC[NH2+]CC1 ZINC000418643248 563221654 /nfs/dbraw/zinc/22/16/54/563221654.db2.gz SFUWNWGYACCHGI-UHFFFAOYSA-N 1 0 390.347 2.668 20 0 GFADRO CCN(Cc1ccccc1Br)C(=O)NC[C@]1(COC)CCC[NH2+]1 ZINC000418660081 563222044 /nfs/dbraw/zinc/22/20/44/563222044.db2.gz XAPUJCOMGHERTK-KRWDZBQOSA-N 1 0 384.318 2.749 20 0 GFADRO C[C@@H]([NH2+]Cc1cnc(N2CCN(C)CC2)nc1)c1ccc(Br)cc1 ZINC000277711337 563222339 /nfs/dbraw/zinc/22/23/39/563222339.db2.gz MRMVYIZIRQWGMC-CQSZACIVSA-N 1 0 390.329 2.842 20 0 GFADRO O=C(N[C@@H]1C[NH2+]CCC1(F)F)N1CC[C@@H](c2cccc(Br)c2)C1 ZINC000418750889 563224270 /nfs/dbraw/zinc/22/42/70/563224270.db2.gz PMONALQGEKBXHP-TZMCWYRMSA-N 1 0 388.256 2.945 20 0 GFADRO O=C(NCCC[C@@H]1CCC[NH2+]1)N1CCOc2ccc(Br)cc2C1 ZINC000418765015 563225013 /nfs/dbraw/zinc/22/50/13/563225013.db2.gz JNDJPBBMIGRJPE-HNNXBMFYSA-N 1 0 382.302 2.885 20 0 GFADRO CC[C@H](CN(C)C(=O)NC[C@@H]1C[NH2+]CCO1)Oc1ccc(Cl)c(Cl)c1 ZINC000418771049 563225343 /nfs/dbraw/zinc/22/53/43/563225343.db2.gz RHCXTZQMJRRQGA-OCCSQVGLSA-N 1 0 390.311 2.781 20 0 GFADRO CCN(CCOc1ccc(Br)cc1)C(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000418788609 563225845 /nfs/dbraw/zinc/22/58/45/563225845.db2.gz KXNFOARLCBOAFX-DZGCQCFKSA-N 1 0 384.318 2.987 20 0 GFADRO O=C(NCCC[C@H]1CCC[NH2+]1)NC[C@H](O)COc1cccc(Cl)c1Cl ZINC000418776182 563226063 /nfs/dbraw/zinc/22/60/63/563226063.db2.gz UCNHJUVEDABSMO-OLZOCXBDSA-N 1 0 390.311 2.565 20 0 GFADRO COc1cc(Br)c(C(=O)N(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)cc1OC ZINC000295039432 563226490 /nfs/dbraw/zinc/22/64/90/563226490.db2.gz RZOVLPJSHKPTRL-SMDDNHRTSA-N 1 0 385.302 2.879 20 0 GFADRO C[C@H](NC(=O)C(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1)c1cc(F)c(Cl)cc1Cl ZINC000418830828 563226741 /nfs/dbraw/zinc/22/67/41/563226741.db2.gz FZQQAKFELVJWCZ-GARJFASQSA-N 1 0 390.286 2.814 20 0 GFADRO C[C@@H](NC(=O)C(=O)N[C@H]1CC[NH2+][C@H](C)C1)c1cc(F)c(Cl)cc1Cl ZINC000418848507 563227523 /nfs/dbraw/zinc/22/75/23/563227523.db2.gz LMGDVVURZUQLEQ-BBBLOLIVSA-N 1 0 376.259 2.566 20 0 GFADRO Cn1cc([C@H]2C[N@H+](Cc3ccc(Br)cn3)CC23CCOCC3)cn1 ZINC000295081667 563228859 /nfs/dbraw/zinc/22/88/59/563228859.db2.gz SCDWSSJETONZRC-QGZVFWFLSA-N 1 0 391.313 2.974 20 0 GFADRO C[NH+](C)C1(CNc2nc(C(F)(F)F)c(Br)s2)CCOCC1 ZINC000418859065 563228991 /nfs/dbraw/zinc/22/89/91/563228991.db2.gz AQVSZRKIKQUXKO-UHFFFAOYSA-N 1 0 388.253 3.447 20 0 GFADRO COc1cc(C[NH2+][C@H]2CCCN(c3ccncn3)C2)cc(Br)c1O ZINC000369968848 563229278 /nfs/dbraw/zinc/22/92/78/563229278.db2.gz FTBBBFUGVCRAGG-ZDUSSCGKSA-N 1 0 393.285 2.712 20 0 GFADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccc(I)cc2F)C1 ZINC000295138808 563230829 /nfs/dbraw/zinc/23/08/29/563230829.db2.gz IWRZGQGHZNYIGT-NSHDSACASA-N 1 0 390.240 2.844 20 0 GFADRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2ccc(I)cc2F)C1 ZINC000295138806 563231165 /nfs/dbraw/zinc/23/11/65/563231165.db2.gz IWRZGQGHZNYIGT-LLVKDONJSA-N 1 0 390.240 2.844 20 0 GFADRO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1c1ccc(-c2ccc(Br)s2)nn1 ZINC000418997940 563232634 /nfs/dbraw/zinc/23/26/34/563232634.db2.gz LVBDEXHIVXACOY-VXGBXAGGSA-N 1 0 397.342 2.859 20 0 GFADRO CCCN(C(=O)C(=O)NCCCc1ccc(Cl)cc1Cl)[C@H]1CC[NH2+]C1 ZINC000419033496 563232733 /nfs/dbraw/zinc/23/27/33/563232733.db2.gz CNWCDPFIAKSZAH-HNNXBMFYSA-N 1 0 386.323 2.643 20 0 GFADRO CCCN(C(=O)C(=O)N[C@H]1CCc2c1ccc(Cl)c2Cl)[C@@H]1CC[NH2+]C1 ZINC000419090431 563233186 /nfs/dbraw/zinc/23/31/86/563233186.db2.gz FJYACRDDJXLBPD-ABAIWWIYSA-N 1 0 384.307 2.697 20 0 GFADRO O=C(NCCC1=CC[NH2+]CC1)C(=O)N[C@H]1CCc2c1ccc(Cl)c2Cl ZINC000419109354 563233797 /nfs/dbraw/zinc/23/37/97/563233797.db2.gz YKKOGFWEHNFTPF-HNNXBMFYSA-N 1 0 382.291 2.523 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N[C@H]1CCc2c1ccc(Cl)c2Cl ZINC000419100310 563234025 /nfs/dbraw/zinc/23/40/25/563234025.db2.gz PTOKEKMMELFCQP-LKTVYLICSA-N 1 0 384.307 2.825 20 0 GFADRO COC[C@H](NC(=O)C1CC[NH+](Cc2ccc(Cl)s2)CC1)[C@@H]1CCCO1 ZINC000370142140 563234744 /nfs/dbraw/zinc/23/47/44/563234744.db2.gz WYNOSUPOERRREK-HOTGVXAUSA-N 1 0 386.945 2.924 20 0 GFADRO [NH3+]C[C@@H]1CCCN1C(=O)C(=O)N[C@@H](c1ccsc1)c1ccc(Cl)cc1 ZINC000419127917 563234834 /nfs/dbraw/zinc/23/48/34/563234834.db2.gz TWRUOFFZDFNVMO-JKSUJKDBSA-N 1 0 377.897 2.557 20 0 GFADRO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1Cc1ncc(-c2ccccc2Br)o1 ZINC000419332095 563236948 /nfs/dbraw/zinc/23/69/48/563236948.db2.gz SPDMIFLYUIQKDY-UONOGXRCSA-N 1 0 394.313 2.991 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCOC[C@@H]1C)C(=O)Nc1cccc(I)c1 ZINC000278039877 563237464 /nfs/dbraw/zinc/23/74/64/563237464.db2.gz XLWBGNOCEVHSTO-COPLHBTASA-N 1 0 388.249 2.633 20 0 GFADRO CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]CCCN1CCCO[C@H](C)C1 ZINC000278041653 563237582 /nfs/dbraw/zinc/23/75/82/563237582.db2.gz XNEIKMYQLYNHAO-OAHLLOKOSA-N 1 0 388.961 2.724 20 0 GFADRO C[C@H](NC(=O)C(=O)NCC[C@@H]1CCC[NH2+]C1)c1c(Cl)ccc(F)c1Cl ZINC000419347346 563238335 /nfs/dbraw/zinc/23/83/35/563238335.db2.gz WLCWLFSCIRRRTN-QWRGUYRKSA-N 1 0 390.286 2.816 20 0 GFADRO C[C@H]([NH3+])C1CCN(C(=O)[C@H]2CCN(c3cc(Cl)cc(Cl)c3)C2=O)CC1 ZINC000370271955 563238474 /nfs/dbraw/zinc/23/84/74/563238474.db2.gz ZNZPPXWBMFCXER-MEDUHNTESA-N 1 0 384.307 2.932 20 0 GFADRO O=C1CC[C@@H]([NH2+]CC2=Cc3cc(Br)ccc3OC2)[C@H](C2CC2)N1 ZINC000370281321 563239736 /nfs/dbraw/zinc/23/97/36/563239736.db2.gz ZFQOEUQEJYDIOH-QAPCUYQASA-N 1 0 377.282 2.872 20 0 GFADRO C[C@@H](NC(=O)N1C[C@H](C)[N@H+](CCO)C[C@@H]1C)c1ccc(Br)cc1 ZINC000419517340 563240847 /nfs/dbraw/zinc/24/08/47/563240847.db2.gz IPSLUTBVTVSEFO-MELADBBJSA-N 1 0 384.318 2.607 20 0 GFADRO C[C@H](CNC(=O)C(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1)c1c(Cl)cccc1Cl ZINC000419516408 563240996 /nfs/dbraw/zinc/24/09/96/563240996.db2.gz KSLPVBPXFJICBM-FRRDWIJNSA-N 1 0 386.323 2.717 20 0 GFADRO Cc1cc(NC(=O)C(=O)NCC2CC[NH+](C3CC3)CC2)ccc1Br ZINC000278107828 563241090 /nfs/dbraw/zinc/24/10/90/563241090.db2.gz AYMWTIWUSWNQLU-UHFFFAOYSA-N 1 0 394.313 2.687 20 0 GFADRO C[C@H](CNC(=O)C(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1)c1c(Cl)cccc1Cl ZINC000419516407 563241277 /nfs/dbraw/zinc/24/12/77/563241277.db2.gz KSLPVBPXFJICBM-AGIUHOORSA-N 1 0 386.323 2.717 20 0 GFADRO Cc1cc(NC(=O)[C@H](C)N(C)C[C@H](O)c2ccccc2Br)on1 ZINC000295322231 563241753 /nfs/dbraw/zinc/24/17/53/563241753.db2.gz MDOXKDAOPFSDAC-FZMZJTMJSA-N 1 0 382.258 2.738 20 0 GFADRO C[C@@H](Cc1c(Cl)cccc1Cl)NC(=O)C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000419568026 563242238 /nfs/dbraw/zinc/24/22/38/563242238.db2.gz KQBHGKRVSGWAKP-MEDUHNTESA-N 1 0 386.323 2.674 20 0 GFADRO C[C@@H](C(=O)Nc1cccc(Br)c1)[N@@H+]1CC[C@@]2(C1)CCCN(C)C2=O ZINC000370404771 563242566 /nfs/dbraw/zinc/24/25/66/563242566.db2.gz IVJZZTJRMGPIMW-SCLBCKFNSA-N 1 0 394.313 2.720 20 0 GFADRO O=C(C1CC[NH+](C2CC2)CC1)N1CCN(c2cccc(Br)c2)CC1 ZINC000278162393 563243521 /nfs/dbraw/zinc/24/35/21/563243521.db2.gz APJBLQGHXGACOV-UHFFFAOYSA-N 1 0 392.341 2.972 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1CNCCC[NH+]1CCCC1 ZINC000295391842 563245550 /nfs/dbraw/zinc/24/55/50/563245550.db2.gz LJPKTVLFOHJDRV-AWEZNQCLSA-N 1 0 398.345 2.538 20 0 GFADRO C[NH+](C)C[C@@H]1CN(C(=O)c2cccnc2Br)c2ccccc2O1 ZINC000370503350 563246604 /nfs/dbraw/zinc/24/66/04/563246604.db2.gz RPGJCOBXMYKZGN-GFCCVEGCSA-N 1 0 376.254 2.814 20 0 GFADRO Cc1c(CNC(=O)C(=O)N[C@H]2CC[C@@H](C[NH3+])C2)sc2ccc(Cl)cc12 ZINC000419705034 563246757 /nfs/dbraw/zinc/24/67/57/563246757.db2.gz IOMZSFCGGZYXNR-YPMHNXCESA-N 1 0 379.913 2.723 20 0 GFADRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)NCC(C)(C)c1c(Cl)cccc1Cl ZINC000419699539 563246962 /nfs/dbraw/zinc/24/69/62/563246962.db2.gz WGWXGMVOAJTNSO-NWDGAFQWSA-N 1 0 386.323 2.583 20 0 GFADRO O=C(N[C@@H]1CCC[N@@H+](CCCO)C1)c1cc(Cl)c(F)cc1Br ZINC000295472596 563249360 /nfs/dbraw/zinc/24/93/60/563249360.db2.gz NMDQDNKKMUJPHR-SNVBAGLBSA-N 1 0 393.684 2.818 20 0 GFADRO C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000295482415 563249673 /nfs/dbraw/zinc/24/96/73/563249673.db2.gz YUFCFZLRMKSTIL-NXEZZACHSA-N 1 0 385.251 2.876 20 0 GFADRO CC[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000419755339 563249773 /nfs/dbraw/zinc/24/97/73/563249773.db2.gz QCDIFHCLRVQBBL-KCPJHIHWSA-N 1 0 386.323 2.674 20 0 GFADRO CC[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)N[C@@H]1CCC[NH2+][C@@H]1C ZINC000419755119 563249805 /nfs/dbraw/zinc/24/98/05/563249805.db2.gz PYHNWBFSYLCKMK-DJSGYFEHSA-N 1 0 386.323 2.687 20 0 GFADRO OCC1([NH2+]Cc2c(Br)cncc2Br)CCSCC1 ZINC000419785640 563250739 /nfs/dbraw/zinc/25/07/39/563250739.db2.gz SXCPEWWDSDKLNV-UHFFFAOYSA-N 1 0 396.148 2.954 20 0 GFADRO CS[C@@H]1CN(C(=O)c2sc(-c3c(C)noc3C)nc2C)C[C@@H]1[NH+](C)C ZINC000295539348 563252353 /nfs/dbraw/zinc/25/23/53/563252353.db2.gz ODGDHBUXSRGFGJ-QWHCGFSZSA-N 1 0 380.539 2.841 20 0 GFADRO [NH3+][C@@H]1CCC[C@H](NC(=O)C(=O)N(Cc2cccs2)Cc2cccs2)C1 ZINC000419886415 563252449 /nfs/dbraw/zinc/25/24/49/563252449.db2.gz ZZPVOTZIPVZTQU-KGLIPLIRSA-N 1 0 377.535 2.725 20 0 GFADRO CC(C)N(Cc1cccc(Br)c1)C(=O)C(=O)NC1CCC([NH3+])CC1 ZINC000419871542 563252547 /nfs/dbraw/zinc/25/25/47/563252547.db2.gz LGMOIQXSQWOFPF-UHFFFAOYSA-N 1 0 396.329 2.572 20 0 GFADRO Cn1ncc2c1CCC[C@@H]2[NH2+][C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000278401610 563253532 /nfs/dbraw/zinc/25/35/32/563253532.db2.gz GRDBAKGUZMDOMB-JKSUJKDBSA-N 1 0 389.297 2.955 20 0 GFADRO O=C(N[C@H]1CCC[N@@H+](CCCO)C1)c1cc(Cl)c(Br)cc1F ZINC000295569473 563253604 /nfs/dbraw/zinc/25/36/04/563253604.db2.gz UYXFLRYSGQZEJV-JTQLQIEISA-N 1 0 393.684 2.818 20 0 GFADRO COc1cc(Br)ccc1C(=O)NC[C@H]1CCC[C@H]1[NH+]1CCOCC1 ZINC000370762482 563254781 /nfs/dbraw/zinc/25/47/81/563254781.db2.gz RSOVBTKUVGLUIL-CZUORRHYSA-N 1 0 397.313 2.688 20 0 GFADRO O=C(NC1CC[NH+](C[C@H](O)COCc2cccs2)CC1)c1cccs1 ZINC000370811736 563256443 /nfs/dbraw/zinc/25/64/43/563256443.db2.gz YOPANZWLIIOZGV-HNNXBMFYSA-N 1 0 380.535 2.582 20 0 GFADRO Cc1c2cccc(Br)c2oc1C(=O)NC[C@](C)(O)CC[NH+](C)C ZINC000420015552 563256573 /nfs/dbraw/zinc/25/65/73/563256573.db2.gz MAASWLITFYERLM-QGZVFWFLSA-N 1 0 383.286 2.936 20 0 GFADRO CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000420028435 563256631 /nfs/dbraw/zinc/25/66/31/563256631.db2.gz DGYZQMQXTCZYLH-BBRMVZONSA-N 1 0 386.323 2.976 20 0 GFADRO COc1cc(C[NH2+][C@H]2CCCN(c3ccnn3C)C2)cc(Br)c1O ZINC000278463777 563257046 /nfs/dbraw/zinc/25/70/46/563257046.db2.gz FOSRMTKDKUBQFE-ZDUSSCGKSA-N 1 0 395.301 2.655 20 0 GFADRO CCOc1ccc(C[NH2+]C2CCN(S(=O)(=O)C(F)(F)F)CC2)cc1F ZINC000278533373 563260210 /nfs/dbraw/zinc/26/02/10/563260210.db2.gz SEBGMDJLFYLWPH-UHFFFAOYSA-N 1 0 384.395 2.628 20 0 GFADRO Cc1cn2c(n1)[C@H](CNS(=O)(=O)c1cnc(Cl)c(Cl)c1)CCC2 ZINC000370952564 563260679 /nfs/dbraw/zinc/26/06/79/563260679.db2.gz GQOVKEFITCAUAN-JTQLQIEISA-N 1 0 375.281 2.749 20 0 GFADRO C[NH2+]CCN(C)CC(=O)Nc1ccc(Oc2ccc(Br)cc2)nc1 ZINC000420341277 563262141 /nfs/dbraw/zinc/26/21/41/563262141.db2.gz UAXAEVZNDFNFIQ-UHFFFAOYSA-N 1 0 393.285 2.726 20 0 GFADRO C[C@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)N1CCCO[C@H](C[NH3+])C1 ZINC000420386689 563262914 /nfs/dbraw/zinc/26/29/14/563262914.db2.gz JIMCMXMCSPWAIS-ZYHUDNBSSA-N 1 0 379.810 2.735 20 0 GFADRO COc1cc(C(F)(F)F)cc(S(=O)(=O)N2CCC[C@@H]([NH+](C)C)CC2)c1 ZINC000295801802 563263117 /nfs/dbraw/zinc/26/31/17/563263117.db2.gz ARZXWBPQBUCHIZ-CYBMUJFWSA-N 1 0 380.432 2.819 20 0 GFADRO [NH3+][C@@H]1CN(CC(=O)Nc2ccc(Br)cc2)C[C@H]1c1ccccc1F ZINC000420408599 563263206 /nfs/dbraw/zinc/26/32/06/563263206.db2.gz UPZXJHFZDKPFSL-DOTOQJQBSA-N 1 0 392.272 2.953 20 0 GFADRO [NH3+]C[C@H]1CC[C@@H](NS(=O)(=O)c2cc(Cl)c(Br)cc2F)C1 ZINC000420463892 563264273 /nfs/dbraw/zinc/26/42/73/563264273.db2.gz WWSPTXWFLOVHLR-JGVFFNPUSA-N 1 0 385.686 2.647 20 0 GFADRO Cc1cc(S(=O)(=O)N[C@@H]2CC[NH2+]CC2(C)C)c(F)cc1Br ZINC000420460317 563264371 /nfs/dbraw/zinc/26/43/71/563264371.db2.gz KVWNSGYXMFZHPI-CYBMUJFWSA-N 1 0 379.295 2.563 20 0 GFADRO Cc1cc(Br)cc(C)c1S(=O)(=O)N[C@H]1CC[NH2+]CC1(C)C ZINC000420464370 563264406 /nfs/dbraw/zinc/26/44/06/563264406.db2.gz OXPHLIMDBPFTMX-ZDUSSCGKSA-N 1 0 375.332 2.732 20 0 GFADRO [NH3+]C[C@H]1CC[C@H](NS(=O)(=O)c2cc(Cl)c(Br)cc2F)C1 ZINC000420463894 563264474 /nfs/dbraw/zinc/26/44/74/563264474.db2.gz WWSPTXWFLOVHLR-YUMQZZPRSA-N 1 0 385.686 2.647 20 0 GFADRO Cc1cc(S(=O)(=O)N2CC[C@H](C)[C@H](C[NH3+])C2)c(F)cc1Br ZINC000420472132 563265065 /nfs/dbraw/zinc/26/50/65/563265065.db2.gz BRWXLVKLUKLIHO-GXSJLCMTSA-N 1 0 379.295 2.502 20 0 GFADRO Cc1ccc(Br)cc1S(=O)(=O)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420472718 563265221 /nfs/dbraw/zinc/26/52/21/563265221.db2.gz ZYXKMJNAAQMLHP-ZFWWWQNUSA-N 1 0 387.343 2.910 20 0 GFADRO Cc1cc(NC(=O)CN2CCC3(CCOC3=O)CC2)ccc1Br ZINC000371151653 563266821 /nfs/dbraw/zinc/26/68/21/563266821.db2.gz PBRXJFGMPFTGGP-UHFFFAOYSA-N 1 0 381.270 2.725 20 0 GFADRO C[C@@H]1C[N@H+](CCCNC(=O)[C@H]2COc3ccc(Br)cc32)CCCO1 ZINC000278703153 563267524 /nfs/dbraw/zinc/26/75/24/563267524.db2.gz VGZAROWBHQQTAL-CJNGLKHVSA-N 1 0 397.313 2.542 20 0 GFADRO CC[C@H](NC(=O)NCC[NH+](C)C)c1noc(-c2cccc(Br)c2)n1 ZINC000371259536 563269846 /nfs/dbraw/zinc/26/98/46/563269846.db2.gz UHDCLRYEQWPZLE-ZDUSSCGKSA-N 1 0 396.289 2.811 20 0 GFADRO O=C(NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1ncsc1C(F)(F)F ZINC000278822561 563272276 /nfs/dbraw/zinc/27/22/76/563272276.db2.gz IZSQQPPZDPPJGJ-RYUDHWBXSA-N 1 0 377.432 2.660 20 0 GFADRO CO[C@@H](CC(C)C)CS(=O)(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000420670338 563272461 /nfs/dbraw/zinc/27/24/61/563272461.db2.gz UKDOPUQONNIPQT-KRWDZBQOSA-N 1 0 388.599 2.941 20 0 GFADRO CN(C)C(=O)c1ccc(CN2CCC(n3cc(Br)cn3)CC2)[nH]1 ZINC000371335988 563273088 /nfs/dbraw/zinc/27/30/88/563273088.db2.gz MWMVJHVHXVBIQP-UHFFFAOYSA-N 1 0 380.290 2.513 20 0 GFADRO Cc1cc(Br)ccc1C[NH+]1CCC([C@@]2(C)NC(=O)NC2=O)CC1 ZINC000371331237 563273335 /nfs/dbraw/zinc/27/33/35/563273335.db2.gz GCJGORBBHPDGCN-QGZVFWFLSA-N 1 0 380.286 2.568 20 0 GFADRO O=CN1CCC([NH2+]Cc2cc(Br)ccc2Br)CC1 ZINC000278893404 563274944 /nfs/dbraw/zinc/27/49/44/563274944.db2.gz YSHXKGRPJOSBHY-UHFFFAOYSA-N 1 0 376.092 2.922 20 0 GFADRO CC[C@H](NC(=O)NC1CC[NH+](Cc2cccs2)CC1)[C@@H](O)C(F)(F)F ZINC000371379769 563275298 /nfs/dbraw/zinc/27/52/98/563275298.db2.gz RKILSHDJAYNYCA-UONOGXRCSA-N 1 0 379.448 2.714 20 0 GFADRO C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl)[N@@H+]1CC[C@]2(CNC(=O)C2)C1 ZINC000278930006 563276581 /nfs/dbraw/zinc/27/65/81/563276581.db2.gz SNXDGGKYPCJNMH-IUUKEHGRSA-N 1 0 384.307 2.771 20 0 GFADRO C[N@@H+]1CCC[C@]2(CCN(S(=O)(=O)c3cc(F)ccc3OC(F)F)C2)C1 ZINC000420732028 563280020 /nfs/dbraw/zinc/28/00/20/563280020.db2.gz RPMJBRKSSAEEHT-INIZCTEOSA-N 1 0 378.416 2.534 20 0 GFADRO Cc1sc(Br)cc1S(=O)(=O)NC1CCC([NH+](C)C)CC1 ZINC000420743021 563281811 /nfs/dbraw/zinc/28/18/11/563281811.db2.gz JNGOILWJKIYEIO-UHFFFAOYSA-N 1 0 381.361 2.970 20 0 GFADRO O=C(Cc1cc[nH]c(=O)c1Br)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000279082437 563282923 /nfs/dbraw/zinc/28/29/23/563282923.db2.gz PYOURZQVZUREIE-ZDUSSCGKSA-N 1 0 394.269 2.639 20 0 GFADRO C[NH+](C)C1CCC(NS(=O)(=O)c2cccc(Br)c2F)CC1 ZINC000420746819 563283147 /nfs/dbraw/zinc/28/31/47/563283147.db2.gz NLJJUOOJNKBTHP-UHFFFAOYSA-N 1 0 379.295 2.739 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]CCc1cccnc1 ZINC000296398056 563285766 /nfs/dbraw/zinc/28/57/66/563285766.db2.gz LKTRZRSLEAYXKF-ZDUSSCGKSA-N 1 0 392.297 2.690 20 0 GFADRO Cc1nn(C)c(C[NH2+]CC[C@H](C)NC(=O)OC(C)(C)C)c1Br ZINC000279182566 563286530 /nfs/dbraw/zinc/28/65/30/563286530.db2.gz SCLOOMVDTMMZGI-JTQLQIEISA-N 1 0 375.311 2.884 20 0 GFADRO NC(=O)[C@H]1CCC[N@H+](Cc2ccc(NC(=O)c3nc(Cl)cs3)cc2)C1 ZINC000279254543 563289578 /nfs/dbraw/zinc/28/95/78/563289578.db2.gz PVUXDTWNSPQCQM-LBPRGKRZSA-N 1 0 378.885 2.746 20 0 GFADRO CCc1[nH]nc(C(=O)Nc2ccnn2C2CC[NH+](CC)CC2)c1Br ZINC000279335704 563293200 /nfs/dbraw/zinc/29/32/00/563293200.db2.gz YNUKIOPMJXEPSV-UHFFFAOYSA-N 1 0 395.305 2.840 20 0 GFADRO C[C@@H]1NC(=O)N(CC[N@@H+]2CCCC[C@H]2Cc2cccc(Br)c2)C1=O ZINC000421035912 563294042 /nfs/dbraw/zinc/29/40/42/563294042.db2.gz IOEALHVIPJUZNF-BBRMVZONSA-N 1 0 394.313 2.786 20 0 GFADRO COC(=O)c1ccc(C[NH2+][C@H](C)C2(OC)CCOCC2)c(Br)c1 ZINC000421037155 563294137 /nfs/dbraw/zinc/29/41/37/563294137.db2.gz RLXADASLUNVOIT-GFCCVEGCSA-N 1 0 386.286 2.909 20 0 GFADRO C[N@@H+]1CC[C@@H](CNC(=O)Nc2ccc(F)cc2I)C1 ZINC000296647824 563295839 /nfs/dbraw/zinc/29/58/39/563295839.db2.gz OWSPRVLXNCDAEW-VIFPVBQESA-N 1 0 377.201 2.504 20 0 GFADRO COc1cc(Br)c(NC(=O)[C@H]2CCn3cncc3C2)cc1OC ZINC000372148509 563297283 /nfs/dbraw/zinc/29/72/83/563297283.db2.gz GTEBTISPFBPPFJ-JTQLQIEISA-N 1 0 380.242 2.864 20 0 GFADRO [NH3+][C@@H]1CN(S(=O)(=O)c2ccccc2Br)C[C@@H]1c1ccc(F)cc1 ZINC000372178950 563297704 /nfs/dbraw/zinc/29/77/04/563297704.db2.gz NEHGRIDYBUMKKW-UKRRQHHQSA-N 1 0 399.285 2.704 20 0 GFADRO C[C@H]1CN(C(=O)NCCc2ccc(Cl)s2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000372332030 563302401 /nfs/dbraw/zinc/30/24/01/563302401.db2.gz KIZXYODGFWDAQL-GOEBONIOSA-N 1 0 384.977 2.611 20 0 GFADRO C[C@@H]1CN(C(=O)c2c(F)cccc2Br)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000372355089 563303024 /nfs/dbraw/zinc/30/30/24/563303024.db2.gz GUTDQDVTFJHWJN-CZUORRHYSA-N 1 0 398.320 2.686 20 0 GFADRO O=C(NCC1([NH+]2CCCC2)CCOCC1)Nc1ccnc(Br)c1 ZINC000296814663 563303047 /nfs/dbraw/zinc/30/30/47/563303047.db2.gz IGGXBUGISOHWPD-UHFFFAOYSA-N 1 0 383.290 2.611 20 0 GFADRO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)N1[C@@H]2CC[C@H]1C[C@@H]([NH3+])C2 ZINC000372430161 563306299 /nfs/dbraw/zinc/30/62/99/563306299.db2.gz DGLICPQFYFSKMM-CLLJXQQHSA-N 1 0 391.265 2.958 20 0 GFADRO CCN(C[C@H](O)C(F)(F)F)C(=O)NC[C@H]1CC[N@H+](C)[C@H]1c1cccs1 ZINC000372464547 563307560 /nfs/dbraw/zinc/30/75/60/563307560.db2.gz MZFGEVAYHJIUDZ-KWCYVHTRSA-N 1 0 379.448 2.696 20 0 GFADRO COCC[NH+]1CCC(NC(=O)N[C@@H]2COc3c2ccc(Cl)c3Cl)CC1 ZINC000372460562 563307580 /nfs/dbraw/zinc/30/75/80/563307580.db2.gz RHIWADYIJFGSKO-CQSZACIVSA-N 1 0 388.295 2.837 20 0 GFADRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)Nc1nc2cc(Br)ccn2n1 ZINC000296917119 563308375 /nfs/dbraw/zinc/30/83/75/563308375.db2.gz BHFNGNWDTZDJFB-ZDUSSCGKSA-N 1 0 395.305 2.830 20 0 GFADRO CC(C)(O)C[N@@H+]1CCCN(CCC(=O)Nc2ccccc2Br)CC1 ZINC000372551209 563310568 /nfs/dbraw/zinc/31/05/68/563310568.db2.gz GPSFVFYMPHERPC-UHFFFAOYSA-N 1 0 398.345 2.556 20 0 GFADRO C[S@](=O)Cc1cc(NC(=O)[C@]2([NH3+])[C@@H]3CCCO[C@H]3C2(C)C)ccc1Cl ZINC000372568817 563311105 /nfs/dbraw/zinc/31/11/05/563311105.db2.gz IIOCKQRSFDPQGP-LPCOCDSHSA-N 1 0 384.929 2.690 20 0 GFADRO C[C@H](NC(=O)N1CCC[N@H+](CC(C)(C)O)CC1)c1ccc(Br)cc1 ZINC000372576487 563311143 /nfs/dbraw/zinc/31/11/43/563311143.db2.gz VIFFLXQFKZPOOY-AWEZNQCLSA-N 1 0 398.345 2.998 20 0 GFADRO Cc1ccc(S(=O)(=O)N2CCCC3(CC[NH2+]CC3)C2)c(Br)c1 ZINC000372565211 563311392 /nfs/dbraw/zinc/31/13/92/563311392.db2.gz BIULJQHNJNWDPP-UHFFFAOYSA-N 1 0 387.343 2.912 20 0 GFADRO Cc1cc(Br)oc1C(=O)N1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000372625976 563312763 /nfs/dbraw/zinc/31/27/63/563312763.db2.gz PXVLUYRRDMKUCO-AWEZNQCLSA-N 1 0 384.318 2.593 20 0 GFADRO O=C(NCC[N@H+]1CC=CCC1)C1(c2ccc(Br)cc2)CCOCC1 ZINC000279922777 563315046 /nfs/dbraw/zinc/31/50/46/563315046.db2.gz GHZCGICZNAEEQA-UHFFFAOYSA-N 1 0 393.325 2.875 20 0 GFADRO COCCOC[C@@H](O)C[N@@H+]1CCC[C@H]1c1cc(Br)ccc1OC ZINC000297149591 563317500 /nfs/dbraw/zinc/31/75/00/563317500.db2.gz OGAGYFIIPHWXJX-HOCLYGCPSA-N 1 0 388.302 2.619 20 0 GFADRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C1(c2ccc(I)cc2)CC1 ZINC000421709231 563319684 /nfs/dbraw/zinc/31/96/84/563319684.db2.gz DFIBDNWVLAICIU-HNNXBMFYSA-N 1 0 398.288 2.875 20 0 GFADRO C[C@H](N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000280046088 563320414 /nfs/dbraw/zinc/32/04/14/563320414.db2.gz JGKSYIDRJVRUEG-LKTVYLICSA-N 1 0 392.352 2.918 20 0 GFADRO CN1CCC[C@@]2(CC[N@H+](Cc3cc4c(cc3Br)OCCO4)C2)C1=O ZINC000372907037 563322212 /nfs/dbraw/zinc/32/22/12/563322212.db2.gz VQRVRGCVAIBJEV-SFHVURJKSA-N 1 0 395.297 2.665 20 0 GFADRO Cc1cc(C)c(C(=O)NCC2=CC[N@H+](C)CC2)cc1I ZINC000280107004 563322279 /nfs/dbraw/zinc/32/22/79/563322279.db2.gz ALAPARUZGPDIKP-UHFFFAOYSA-N 1 0 384.261 2.900 20 0 GFADRO COC(=O)c1cc(Br)cc(C(=O)NC2CC[NH+](C3CCC3)CC2)c1 ZINC000297331173 563323416 /nfs/dbraw/zinc/32/34/16/563323416.db2.gz ZUKIYHMEYOLZIR-UHFFFAOYSA-N 1 0 395.297 2.982 20 0 GFADRO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1nc2cc(Br)ccn2n1 ZINC000297344342 563324140 /nfs/dbraw/zinc/32/41/40/563324140.db2.gz OVBJNHZREULRDM-STQMWFEESA-N 1 0 393.289 2.582 20 0 GFADRO Cc1nc2ccc(Br)cn2c1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000280182869 563326304 /nfs/dbraw/zinc/32/63/04/563326304.db2.gz PPIGOQQZNPINTG-KGLIPLIRSA-N 1 0 377.286 2.714 20 0 GFADRO NC(=O)C1(C[NH2+][C@H](c2ccc(Br)cc2F)C2CC2)CCOCC1 ZINC000280243400 563328428 /nfs/dbraw/zinc/32/84/28/563328428.db2.gz WCKKBKUGKCLQGC-HNNXBMFYSA-N 1 0 385.277 2.911 20 0 GFADRO COC1(CO)CC[NH+](Cc2ccnc(-c3ccc(Br)cc3)n2)CC1 ZINC000373178034 563331463 /nfs/dbraw/zinc/33/14/63/563331463.db2.gz FUTVMVFVQKWAEN-UHFFFAOYSA-N 1 0 392.297 2.879 20 0 GFADRO CC(C)[C@](C)([NH2+]Cc1ccnc(-c2ccc(Br)cc2)n1)C(N)=O ZINC000297654806 563332732 /nfs/dbraw/zinc/33/27/32/563332732.db2.gz NMGOAXXQJINQTF-KRWDZBQOSA-N 1 0 377.286 2.896 20 0 GFADRO C[NH+](C)CC[C@H](NC(=O)C(=O)Nc1cc(Cl)c(N)c(Cl)c1)C(C)(C)C ZINC000297708754 563333382 /nfs/dbraw/zinc/33/33/82/563333382.db2.gz ATWJEFGDVSXRIC-ZDUSSCGKSA-N 1 0 389.327 2.997 20 0 GFADRO Cc1cc(NC(=O)C(=O)NC2CC[NH+](C3CC3)CC2)cc(F)c1Br ZINC000297865116 563338188 /nfs/dbraw/zinc/33/81/88/563338188.db2.gz MGMOVPRQHDTEPB-UHFFFAOYSA-N 1 0 398.276 2.578 20 0 GFADRO O=C(C1CC[NH+](Cc2ccc(Cl)s2)CC1)N1CCC[C@H](OCCO)C1 ZINC000373436158 563338244 /nfs/dbraw/zinc/33/82/44/563338244.db2.gz RWTZHEZTRQEIPB-HNNXBMFYSA-N 1 0 386.945 2.613 20 0 GFADRO CS(=O)(=O)c1cc(C(=O)N(C[C@H]2CCC[NH2+]2)C2CC2)c(Cl)cc1Cl ZINC000373542165 563341448 /nfs/dbraw/zinc/34/14/48/563341448.db2.gz VOVNUYUGHGPXOC-SNVBAGLBSA-N 1 0 391.320 2.754 20 0 GFADRO C[C@@H]1C[C@@H](C)N(S(=O)(=O)c2ccc(F)c(Br)c2)C[C@@H]1C[NH3+] ZINC000422555504 563342639 /nfs/dbraw/zinc/34/26/39/563342639.db2.gz QDOYCWHWJKHMIA-MXWKQRLJSA-N 1 0 379.295 2.582 20 0 GFADRO C[C@@H]1C[C@@H](C)N(S(=O)(=O)Cc2ccc(Br)cc2)C[C@H]1C[NH3+] ZINC000422556119 563342737 /nfs/dbraw/zinc/34/27/37/563342737.db2.gz SCMPOQVRWMNOAN-YRGRVCCFSA-N 1 0 375.332 2.584 20 0 GFADRO C[C@@H]1C[C@H](C)N(S(=O)(=O)c2cccc(Br)c2F)C[C@@H]1C[NH3+] ZINC000422555872 563342741 /nfs/dbraw/zinc/34/27/41/563342741.db2.gz REWFFDSUGVVYLY-VWYCJHECSA-N 1 0 379.295 2.582 20 0 GFADRO CC[NH+]1CCN(CCC(=O)N[C@@H]2C[C@H]2c2ccc(Br)s2)CC1 ZINC000373704490 563347514 /nfs/dbraw/zinc/34/75/14/563347514.db2.gz DIDREMDYQSHIGO-CHWSQXEVSA-N 1 0 386.359 2.510 20 0 GFADRO C[C@H](C[C@@H]1COCCN1)[NH2+]C[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000422933086 563350620 /nfs/dbraw/zinc/35/06/20/563350620.db2.gz BGBZVGWYDLWTGY-BFYDXBDKSA-N 1 0 382.346 2.632 20 0 GFADRO O=S1(=O)CC[C@@H]([NH2+]C2CCN(c3ccnc4ccc(Cl)cc43)CC2)C1 ZINC000373797063 563351099 /nfs/dbraw/zinc/35/10/99/563351099.db2.gz ZAKQHGSWNIWIEI-OAHLLOKOSA-N 1 0 379.913 2.634 20 0 GFADRO CN(Cc1ccc(Br)s1)C(=O)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000422942343 563351708 /nfs/dbraw/zinc/35/17/08/563351708.db2.gz PKLSKHIPFDLDRD-LBPRGKRZSA-N 1 0 383.315 2.904 20 0 GFADRO O=C(Cc1ccc(I)cc1)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000373811743 563352139 /nfs/dbraw/zinc/35/21/39/563352139.db2.gz FXDKACFZVHCVIT-OAHLLOKOSA-N 1 0 384.261 2.530 20 0 GFADRO CCOC(=O)[C@@H]1NCC[C@@H]1[NH2+]CCc1csc(-c2ccc(Cl)cc2)n1 ZINC000423013014 563353436 /nfs/dbraw/zinc/35/34/36/563353436.db2.gz LVDAWPRFHPRSHR-JKSUJKDBSA-N 1 0 379.913 2.889 20 0 GFADRO COC(=O)CC[N@H+](CCc1cncn1C)Cc1cccc(Br)c1 ZINC000298415877 563354886 /nfs/dbraw/zinc/35/48/86/563354886.db2.gz MJGRLSBSAFHQDD-UHFFFAOYSA-N 1 0 380.286 2.790 20 0 GFADRO COc1cc(I)c(Cl)cc1CN[C@H]1CCC[C@@H]1[NH3+] ZINC000423092581 563354979 /nfs/dbraw/zinc/35/49/79/563354979.db2.gz CKVPAGCQYYOHQM-RYUDHWBXSA-N 1 0 380.657 2.923 20 0 GFADRO C[NH2+]CCC1CCN(C(=O)C(=O)N(C)Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000423151290 563357159 /nfs/dbraw/zinc/35/71/59/563357159.db2.gz CJGXDWFKTJBTBY-UHFFFAOYSA-N 1 0 386.323 2.800 20 0 GFADRO CC[C@@H]([NH2+]CCCc1nc(C)no1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000280855232 563357424 /nfs/dbraw/zinc/35/74/24/563357424.db2.gz MXOFDWKILFYOTM-CQSZACIVSA-N 1 0 386.905 2.613 20 0 GFADRO C[NH2+]C[C@H]1CCN(C(=O)C(=O)N(Cc2ccc(Cl)c(Cl)c2)C(C)C)C1 ZINC000423162366 563357741 /nfs/dbraw/zinc/35/77/41/563357741.db2.gz KVCJRDMPOGADTQ-CQSZACIVSA-N 1 0 386.323 2.798 20 0 GFADRO COc1ccc(C[C@@H](CO)CN[C@@H](C)[C@H]2CCCC[NH2+]2)cc1Br ZINC000423165765 563358067 /nfs/dbraw/zinc/35/80/67/563358067.db2.gz UVHDXTKIMWSKIM-YSVLISHTSA-N 1 0 385.346 2.729 20 0 GFADRO CCn1ccnc1[C@H](NCCC[NH3+])c1ccc(I)cc1 ZINC000423177638 563358597 /nfs/dbraw/zinc/35/85/97/563358597.db2.gz AZNMDABTSBMREO-CQSZACIVSA-N 1 0 384.265 2.535 20 0 GFADRO C[C@H]([NH2+]C[C@@H](CO)[C@H]1CCOC1)c1ccc(I)cc1 ZINC000280878256 563358624 /nfs/dbraw/zinc/35/86/24/563358624.db2.gz OEWSNQXBRFFTDT-UBHSHLNASA-N 1 0 375.250 2.587 20 0 GFADRO O[C@H](COc1cc(Cl)ccc1Cl)C[N@@H+]1CCC[C@@H]1[C@H]1COCC[C@@H]1O ZINC000374075289 563360587 /nfs/dbraw/zinc/36/05/87/563360587.db2.gz RUZVMIHGTKWREI-ABFRBSLYSA-N 1 0 390.307 2.595 20 0 GFADRO [NH3+]C[C@H](N[C@H]1CCS(=O)(=O)c2ccc(Br)cc21)C1CCCC1 ZINC000423512522 563361862 /nfs/dbraw/zinc/36/18/62/563361862.db2.gz UVGOUDKTXFFLKU-GJZGRUSLSA-N 1 0 387.343 2.775 20 0 GFADRO C[C@@H]1c2cc(Cl)c(Cl)cc2CCN1C(=O)C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000423549365 563362200 /nfs/dbraw/zinc/36/22/00/563362200.db2.gz DENCFOCGSVQVEI-ADLMAVQZSA-N 1 0 384.307 2.636 20 0 GFADRO [NH3+]CC[C@H](NC(=O)CNC(=O)c1sc2ccccc2c1Cl)C(F)(F)F ZINC000423733765 563363629 /nfs/dbraw/zinc/36/36/29/563363629.db2.gz OBNHYSSMYWTAHU-JTQLQIEISA-N 1 0 393.818 2.680 20 0 GFADRO Cc1csc(C(=O)N[C@@H]2CC[NH2+]CC2(C)C)c1I ZINC000423753957 563363705 /nfs/dbraw/zinc/36/37/05/563363705.db2.gz YYDAIKRDHPXMKA-SECBINFHSA-N 1 0 378.279 2.779 20 0 GFADRO O=S(=O)(c1cc(Cl)ccc1Br)N1CCC2(C1)CC[NH2+]CC2 ZINC000374184089 563364808 /nfs/dbraw/zinc/36/48/08/563364808.db2.gz QMPLDRFEAQRUBT-UHFFFAOYSA-N 1 0 393.734 2.867 20 0 GFADRO [NH3+]C[C@@H](NC(=O)c1c(F)cccc1I)C1CCCC1 ZINC000423940517 563365032 /nfs/dbraw/zinc/36/50/32/563365032.db2.gz NPVBZDXOSXTJFO-GFCCVEGCSA-N 1 0 376.213 2.678 20 0 GFADRO CC(C)(C)[C@H](C[NH3+])NC(=O)c1nn(-c2ccc(F)cc2)cc1Br ZINC000423964767 563365631 /nfs/dbraw/zinc/36/56/31/563365631.db2.gz XQIWHKRUYWMOJB-ZDUSSCGKSA-N 1 0 383.265 2.877 20 0 GFADRO C[C@@H]1CN(C(=O)c2cc(=O)[nH]c3ccc(Br)cc32)C[C@@]1(C)C[NH3+] ZINC000423983702 563366435 /nfs/dbraw/zinc/36/64/35/563366435.db2.gz NMFZSBVNJCORLV-BMLIUANNSA-N 1 0 378.270 2.760 20 0 GFADRO Cc1[nH]c(=O)c(C(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)cc1Br ZINC000424006886 563367287 /nfs/dbraw/zinc/36/72/87/563367287.db2.gz FDRUZVMCEUZKOU-DZGCQCFKSA-N 1 0 394.244 2.564 20 0 GFADRO O=S(=O)(Cc1ccc(Cl)nc1)N1CCNC[C@@H]1c1cccc(Cl)c1 ZINC000374337553 563368264 /nfs/dbraw/zinc/36/82/64/563368264.db2.gz OMXIFDWIRKLSNR-OAHLLOKOSA-N 1 0 386.304 2.865 20 0 GFADRO C[C@@H]1C[C@H](C)N(C(=O)C[C@H]2Sc3ccc(Cl)cc3NC2=O)C[C@@H]1C[NH3+] ZINC000424058018 563368701 /nfs/dbraw/zinc/36/87/01/563368701.db2.gz UKQUFHUDJIPOMC-KZTGVZKYSA-N 1 0 381.929 2.975 20 0 GFADRO C[C@@H]([NH2+][C@@H](CO)CC1CCC1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000281214140 563370001 /nfs/dbraw/zinc/37/00/01/563370001.db2.gz SVNJBVCONLVLJV-MWLCHTKSSA-N 1 0 381.325 2.843 20 0 GFADRO C[C@@H]([NH2+][C@H]1CCOC(C)(C)C1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000281288574 563371994 /nfs/dbraw/zinc/37/19/94/563371994.db2.gz ZWEWHJHDGKFHKM-PWSUYJOCSA-N 1 0 391.331 2.705 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2C(=O)Cc1ccc(F)c(Br)c1 ZINC000374423595 563372005 /nfs/dbraw/zinc/37/20/05/563372005.db2.gz SRSVUZZUYFTIJZ-XOKHGSTOSA-N 1 0 399.304 2.841 20 0 GFADRO COc1ccc(Br)cc1CC(=O)N1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424219342 563374575 /nfs/dbraw/zinc/37/45/75/563374575.db2.gz ADMOZZXZBSQKMR-ZDUSSCGKSA-N 1 0 381.314 2.991 20 0 GFADRO CO[C@H]1C[C@H]2C[C@H]([NH2+]C[C@H](O)COc3ccccc3Br)C[C@H]2C1 ZINC000424305860 563375729 /nfs/dbraw/zinc/37/57/29/563375729.db2.gz TYHDSNOUVFXVQP-CQJMVSDSSA-N 1 0 384.314 2.982 20 0 GFADRO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)CCc1ccccc1Br ZINC000299138583 563375972 /nfs/dbraw/zinc/37/59/72/563375972.db2.gz XSWFNLJWRKKRNN-UHFFFAOYSA-N 1 0 396.373 2.866 20 0 GFADRO [NH3+]C1(c2noc(CCNC(=O)c3ccc(Br)cc3)n2)CCCCC1 ZINC000424342728 563376064 /nfs/dbraw/zinc/37/60/64/563376064.db2.gz ZFRYOQFHLKNSPZ-UHFFFAOYSA-N 1 0 393.285 2.923 20 0 GFADRO COC(=O)CC1CC([NH2+]C[C@H](CO)Cc2cc(Br)ccc2F)C1 ZINC000424342551 563376182 /nfs/dbraw/zinc/37/61/82/563376182.db2.gz DHEUKGSBVNAGHO-MQYJIDSJSA-N 1 0 388.277 2.671 20 0 GFADRO C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]CCCCS(C)(=O)=O ZINC000424309707 563376266 /nfs/dbraw/zinc/37/62/66/563376266.db2.gz QYFLRXCEBUWDFA-LBPRGKRZSA-N 1 0 380.432 2.837 20 0 GFADRO C[N@@H+]1CCC[C@@H]2CN(S(=O)(=O)c3cc4c(cc3Cl)CCC4=O)CC[C@H]21 ZINC000374595019 563377072 /nfs/dbraw/zinc/37/70/72/563377072.db2.gz RRWRDRPFTXJDRD-CZUORRHYSA-N 1 0 382.913 2.574 20 0 GFADRO Cc1cc(S(=O)(=O)N2CC3(C[C@H]2C)CC[NH2+]CC3)ccc1Br ZINC000424390695 563377843 /nfs/dbraw/zinc/37/78/43/563377843.db2.gz KUTGQLCYANLLAS-CYBMUJFWSA-N 1 0 387.343 2.910 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)c3cc(=O)[nH]c4ccc(Br)cc43)C[C@@H]21 ZINC000374632705 563378021 /nfs/dbraw/zinc/37/80/21/563378021.db2.gz SIIDLPQZWUZSKX-WKPIXPDZSA-N 1 0 390.281 2.902 20 0 GFADRO C[C@H]([NH2+]C1CCN(Cc2ccsc2)CC1)c1ccc(S(N)(=O)=O)cc1 ZINC000375005071 563388280 /nfs/dbraw/zinc/38/82/80/563388280.db2.gz MPNXOGDCHNLHDY-AWEZNQCLSA-N 1 0 379.551 2.711 20 0 GFADRO Cc1sc(Br)c(C(=O)N[C@@H](C)CC[NH+]2CCN(C)CC2)c1C ZINC000281838689 563388373 /nfs/dbraw/zinc/38/83/73/563388373.db2.gz MUGVIMFIJZSFTQ-NSHDSACASA-N 1 0 388.375 2.883 20 0 GFADRO Cc1ccc(Br)c(S(=O)(=O)NCc2cnc3n2CCCC3)c1 ZINC000375102513 563390321 /nfs/dbraw/zinc/39/03/21/563390321.db2.gz BCULDYOAZFNMHB-UHFFFAOYSA-N 1 0 384.299 2.769 20 0 GFADRO CC1CC[NH+](Cc2ccc(CNc3ncc(S(N)(=O)=O)s3)cc2)CC1 ZINC000301101673 563392899 /nfs/dbraw/zinc/39/28/99/563392899.db2.gz KMABDUUFPMSYNY-UHFFFAOYSA-N 1 0 380.539 2.635 20 0 GFADRO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNc2ncc(S(N)(=O)=O)s2)cc1 ZINC000301145071 563394469 /nfs/dbraw/zinc/39/44/69/563394469.db2.gz KYTRNNPKMUNZHM-ZDUSSCGKSA-N 1 0 380.539 2.777 20 0 GFADRO CS(=O)(=O)c1cc(C(=O)NCc2ccc3c(c2)C[NH2+]C3)c(Cl)cc1Cl ZINC000375251115 563397316 /nfs/dbraw/zinc/39/73/16/563397316.db2.gz RIVJDLVFESFORF-UHFFFAOYSA-N 1 0 399.299 2.930 20 0 GFADRO [NH3+][C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)c1[nH]nc(-c2ccccc2)c1Br ZINC000375252513 563397698 /nfs/dbraw/zinc/39/76/98/563397698.db2.gz JCRBBMWQORVGBD-CLLJXQQHSA-N 1 0 375.270 2.934 20 0 GFADRO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[NH2+][C@@H]1CCC(=O)N[C@@H]1C1CC1 ZINC000375332793 563399535 /nfs/dbraw/zinc/39/95/35/563399535.db2.gz DFNNGGYOEMBCOG-CRAIPNDOSA-N 1 0 384.307 2.599 20 0 GFADRO C[C@H](NC(=O)C[NH2+][C@H]1CCC(=O)N[C@H]1C1CC1)c1ccc(Cl)c(Cl)c1 ZINC000375338320 563400487 /nfs/dbraw/zinc/40/04/87/563400487.db2.gz QSUXXSUANFLFAP-RNCGHPTOSA-N 1 0 384.307 2.817 20 0 GFADRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cnn(C)c(=O)c1Br ZINC000301433043 563403672 /nfs/dbraw/zinc/40/36/72/563403672.db2.gz JMCXVJVJBWAGAH-OAHLLOKOSA-N 1 0 391.313 2.501 20 0 GFADRO Cc1cccc(S(=O)(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)c1Br ZINC000375608965 563411645 /nfs/dbraw/zinc/41/16/45/563411645.db2.gz VGKTYDUTHCVOLG-AWEZNQCLSA-N 1 0 387.343 2.910 20 0 GFADRO COc1cc2[nH+]ccc(NC[C@@H](O)COCC3CC3)c2cc1Br ZINC000425217848 563411783 /nfs/dbraw/zinc/41/17/83/563411783.db2.gz CGDASUMEUALKKU-GFCCVEGCSA-N 1 0 381.270 2.627 20 0 GFADRO COc1cc2[nH+]ccc(N3CCCN(C(N)=O)CC3)c2cc1Br ZINC000425221132 563412971 /nfs/dbraw/zinc/41/29/71/563412971.db2.gz GABZZRUPGSFZDH-UHFFFAOYSA-N 1 0 379.258 2.597 20 0 GFADRO Cc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3CC(=O)N(C)C)cc1Br ZINC000375742025 563416978 /nfs/dbraw/zinc/41/69/78/563416978.db2.gz KGYLVQHCJCLZAE-ALOPSCKCSA-N 1 0 394.357 2.931 20 0 GFADRO CO[C@@H](C[NH+]1CCC(S(=O)(=O)N2CCCC2)CC1)c1ccc(Cl)cc1 ZINC000282621010 563417932 /nfs/dbraw/zinc/41/79/32/563417932.db2.gz ZUBMAMHQOSOOGQ-SFHVURJKSA-N 1 0 386.945 2.918 20 0 GFADRO CS[C@@H]1CC[C@H]1[NH2+]CCNS(=O)(=O)c1cc(C)ccc1Br ZINC000425389176 563419546 /nfs/dbraw/zinc/41/95/46/563419546.db2.gz XKFVCJKASCOMLN-CHWSQXEVSA-N 1 0 393.372 2.519 20 0 GFADRO CCCOc1c(Br)cc(C[NH2+][C@H](C)C(=O)NCCF)cc1OC ZINC000282700967 563421485 /nfs/dbraw/zinc/42/14/85/563421485.db2.gz OWGOWSMJFJBDHA-LLVKDONJSA-N 1 0 391.281 2.810 20 0 GFADRO COCC(C)(C)[NH+]1CCN([C@H](C)C(=O)Nc2ccc(Br)cc2)CC1 ZINC000425511948 563425585 /nfs/dbraw/zinc/42/55/85/563425585.db2.gz XLMIGHRFBCBJNL-CQSZACIVSA-N 1 0 398.345 2.819 20 0 GFADRO COCC(C)(C)[NH+]1CCN(C[C@@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000425500556 563425693 /nfs/dbraw/zinc/42/56/93/563425693.db2.gz CYUICPPPPUYKPC-OAHLLOKOSA-N 1 0 391.339 2.776 20 0 GFADRO COC(=O)[C@@H]1CN(Cc2nnc(C)s2)C[C@H]1c1ccc(Br)cc1 ZINC000425518829 563426693 /nfs/dbraw/zinc/42/66/93/563426693.db2.gz NCIDDJVNBHGFOD-UONOGXRCSA-N 1 0 396.310 2.998 20 0 GFADRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1c1ncnc2ccc(Br)cc21 ZINC000302569100 563426889 /nfs/dbraw/zinc/42/68/89/563426889.db2.gz YAJQJYDHYFQJRI-GFCCVEGCSA-N 1 0 379.302 2.674 20 0 GFADRO C[NH+]1CCC(n2ccc(NC(=O)NCc3sccc3Br)n2)CC1 ZINC000376041853 563427765 /nfs/dbraw/zinc/42/77/65/563427765.db2.gz BGDLUVXNESXQLY-UHFFFAOYSA-N 1 0 398.330 3.296 20 0 GFADRO CN(CC[NH+](C)C)c1ccc(Br)cc1NC(=O)[C@]1(C)CCCO1 ZINC000425641153 563429199 /nfs/dbraw/zinc/42/91/99/563429199.db2.gz UVWFCDJLPBPWPB-KRWDZBQOSA-N 1 0 384.318 2.955 20 0 GFADRO O=C1CCc2cc(Cl)c(S(=O)(=O)N3CCC[C@H]4C[NH2+]CCC[C@H]43)cc21 ZINC000376140883 563431447 /nfs/dbraw/zinc/43/14/47/563431447.db2.gz AXUXBNBUFKDEAG-XJKSGUPXSA-N 1 0 382.913 2.622 20 0 GFADRO O=C(CN1CCC[C@@H]1c1ncc[nH]1)Nc1ccccc1I ZINC000376165948 563432122 /nfs/dbraw/zinc/43/21/22/563432122.db2.gz JUSAHHBXWMZOQB-CYBMUJFWSA-N 1 0 396.232 2.790 20 0 GFADRO O=C(NC[C@H]1CCCC[N@H+]1CCO)Nc1cc(Cl)ccc1OC(F)F ZINC000425716660 563432867 /nfs/dbraw/zinc/43/28/67/563432867.db2.gz SHGJZTTXMKBQIG-GFCCVEGCSA-N 1 0 377.819 2.910 20 0 GFADRO CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)NCCc1cc(Br)ccc1F ZINC000376252918 563435360 /nfs/dbraw/zinc/43/53/60/563435360.db2.gz JLQLDDMCUQTCCI-JOQOYGCGSA-N 1 0 399.304 2.779 20 0 GFADRO COc1c(Br)cc(Br)cc1C[NH2+]C1COCCOC1 ZINC000311823643 563435755 /nfs/dbraw/zinc/43/57/55/563435755.db2.gz FDZUVSRCISJNAE-UHFFFAOYSA-N 1 0 395.091 2.725 20 0 GFADRO Cc1cc(NC(=O)CN(C)[C@@H]2CCOc3ccc(Br)cc32)no1 ZINC000376292696 563436615 /nfs/dbraw/zinc/43/66/15/563436615.db2.gz ZWYIWEKLRFWCNV-CYBMUJFWSA-N 1 0 380.242 3.140 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)c2ccc(Br)cc2C(F)(F)F)CCCO1 ZINC000313340012 563437904 /nfs/dbraw/zinc/43/79/04/563437904.db2.gz LLHKNHKMFLKDKP-SNVBAGLBSA-N 1 0 381.192 2.658 20 0 GFADRO CCOC(=O)[C@@](C)(C[NH2+]Cc1c(Br)cnn1C)c1ccccc1 ZINC000425970676 563440689 /nfs/dbraw/zinc/44/06/89/563440689.db2.gz IAKGHLNKPLUWPC-KRWDZBQOSA-N 1 0 380.286 2.793 20 0 GFADRO CC[NH+]1CCC(NC(=O)C(=O)N[C@H](C)Cc2ccc(Cl)cc2Cl)CC1 ZINC000283320218 563441263 /nfs/dbraw/zinc/44/12/63/563441263.db2.gz FSLLRYNBUCIITH-GFCCVEGCSA-N 1 0 386.323 2.641 20 0 GFADRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)COc1ccc(C=O)cc1Br ZINC000376445876 563442444 /nfs/dbraw/zinc/44/24/44/563442444.db2.gz ADAQLSOEHGGETR-HIFRSBDPSA-N 1 0 395.297 2.726 20 0 GFADRO CCOc1ccc(Br)cc1S(=O)(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000317962087 563443357 /nfs/dbraw/zinc/44/33/57/563443357.db2.gz IVTAQMBMDMJJPC-OAHLLOKOSA-N 1 0 391.331 2.516 20 0 GFADRO O=S(=O)(c1ccc(Br)c(F)c1)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000318728340 563444282 /nfs/dbraw/zinc/44/42/82/563444282.db2.gz LWOAHGGTAFPXMO-IAQYHMDHSA-N 1 0 391.306 2.741 20 0 GFADRO C[NH+](C)CCOCCNC(=O)c1ccc(Br)cc1C(F)(F)F ZINC000318692093 563444301 /nfs/dbraw/zinc/44/43/01/563444301.db2.gz FXBPXURHUQTUTR-UHFFFAOYSA-N 1 0 383.208 2.776 20 0 GFADRO Cc1ccc(Br)cc1S(=O)(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000319824570 563445645 /nfs/dbraw/zinc/44/56/45/563445645.db2.gz COZHOLLLEPZCTG-UHFFFAOYSA-N 1 0 387.343 2.912 20 0 GFADRO COc1ccc(Br)cc1C[NH2+][C@H]1CCCc2c1cnn2CCO ZINC000319799960 563445754 /nfs/dbraw/zinc/44/57/54/563445754.db2.gz HHVBJMBMIQQWDD-HNNXBMFYSA-N 1 0 380.286 2.814 20 0 GFADRO O=C(NCCn1cc(Br)cn1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000376556616 563446713 /nfs/dbraw/zinc/44/67/13/563446713.db2.gz GCSXXCQCASBCKX-UHFFFAOYSA-N 1 0 398.349 2.742 20 0 GFADRO O=C(Nc1nc2c(s1)CSCC2)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000376612282 563448231 /nfs/dbraw/zinc/44/82/31/563448231.db2.gz UOHFAPUJVQRILP-ZDUSSCGKSA-N 1 0 382.555 2.509 20 0 GFADRO O=C(c1ccc(Br)cc1F)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000322132283 563449304 /nfs/dbraw/zinc/44/93/04/563449304.db2.gz ULPJGPNFVJHKQW-AWEZNQCLSA-N 1 0 385.277 2.915 20 0 GFADRO CCS(=O)(=O)N1CCC([NH2+]Cc2c(F)cccc2OC(F)(F)F)CC1 ZINC000284131142 563465622 /nfs/dbraw/zinc/46/56/22/563465622.db2.gz YAFPZCAAHSWQRW-UHFFFAOYSA-N 1 0 384.395 2.628 20 0 GFADRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)c1cc(Br)cnc1OCC1CC1 ZINC000328975165 563469891 /nfs/dbraw/zinc/46/98/91/563469891.db2.gz BGUZETMNZYSSLT-JKSUJKDBSA-N 1 0 394.313 2.990 20 0 GFADRO Cc1nc([C@@H]2CCCN(Cc3cc4c(cc3Br)OCO4)C2)n[nH]1 ZINC000329112655 563473180 /nfs/dbraw/zinc/47/31/80/563473180.db2.gz RLOJOOXNIMNBRK-LLVKDONJSA-N 1 0 379.258 2.984 20 0 GFADRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2S(=O)(=O)c2ccc(Br)c(F)c2)C1 ZINC000427804131 563476363 /nfs/dbraw/zinc/47/63/63/563476363.db2.gz XJLDLFPVWXVNHG-IAQYHMDHSA-N 1 0 391.306 2.693 20 0 GFADRO CCOC(=O)c1cc2cc(S(=O)(=O)N[C@@H](C)CCCC[NH3+])ccc2s1 ZINC000427940239 563478933 /nfs/dbraw/zinc/47/89/33/563478933.db2.gz CTDCNFRQBDSBFG-LBPRGKRZSA-N 1 0 384.523 2.874 20 0 GFADRO O=S(=O)(c1csc(-c2ccc(Cl)cc2)n1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000427935342 563479017 /nfs/dbraw/zinc/47/90/17/563479017.db2.gz OINAUJBBRSXQPH-GXTWGEPZSA-N 1 0 383.926 2.836 20 0 GFADRO O=S(=O)(c1cc(Br)sc1Cl)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000427951108 563479027 /nfs/dbraw/zinc/47/90/27/563479027.db2.gz OCQOLRZETYROIR-SFYZADRCSA-N 1 0 385.736 2.537 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cnn(-c2cccc(Br)c2)c1 ZINC000377575003 563479064 /nfs/dbraw/zinc/47/90/64/563479064.db2.gz JSHAHJRPTGEZPJ-HZPDHXFCSA-N 1 0 389.297 2.991 20 0 GFADRO O=S(=O)(c1csc(-c2ccc(Cl)cc2)n1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000427935344 563479189 /nfs/dbraw/zinc/47/91/89/563479189.db2.gz OINAUJBBRSXQPH-OCCSQVGLSA-N 1 0 383.926 2.836 20 0 GFADRO O=C(Cc1csc(-c2ccc(Cl)s2)n1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000377562942 563479491 /nfs/dbraw/zinc/47/94/91/563479491.db2.gz LTRWLNJSAVOEOA-CYBMUJFWSA-N 1 0 396.969 2.574 20 0 GFADRO O=C1NC(=O)N2CCN(Cc3coc(-c4ccc(Br)cc4)n3)C[C@@H]12 ZINC000329436852 563479935 /nfs/dbraw/zinc/47/99/35/563479935.db2.gz MAXIRUJJQYDAJR-ZDUSSCGKSA-N 1 0 391.225 2.680 20 0 GFADRO Brc1c(C[NH2+]C2CCN(c3ncccn3)CC2)nc2ccccn21 ZINC000377655787 563482583 /nfs/dbraw/zinc/48/25/83/563482583.db2.gz LRZPTUJJJFHRRH-UHFFFAOYSA-N 1 0 387.285 2.645 20 0 GFADRO CS(=O)(=O)N(CC(F)(F)F)C1CCN(Cc2nc(C3CC3)cs2)CC1 ZINC000329653848 563484557 /nfs/dbraw/zinc/48/45/57/563484557.db2.gz LQBMBZMHEWYUDT-UHFFFAOYSA-N 1 0 397.488 2.809 20 0 GFADRO O[C@@H]1CCOC[C@H]1[C@H]1CCC[N@@H+]1Cc1nc2ccc(Br)cc2o1 ZINC000329824455 563489300 /nfs/dbraw/zinc/48/93/00/563489300.db2.gz QPAVHDQFDSGOGB-NWANDNLSSA-N 1 0 381.270 2.952 20 0 GFADRO CCS(=O)(=O)c1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)NCc2cccs2)cc1 ZINC000284852945 563492007 /nfs/dbraw/zinc/49/20/07/563492007.db2.gz UDLOWTWNYAFFBB-KGLIPLIRSA-N 1 0 380.535 2.897 20 0 GFADRO CN(Cc1ncc(Br)s1)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000428435012 563492131 /nfs/dbraw/zinc/49/21/31/563492131.db2.gz YGLMUSVSXLKTMX-QGZVFWFLSA-N 1 0 396.354 2.974 20 0 GFADRO CCN(C[C@H](O)C(F)(F)F)C(=O)c1ccc(C[NH+]2CCSCC2)cc1 ZINC000428508597 563493654 /nfs/dbraw/zinc/49/36/54/563493654.db2.gz GDRZSFHZXTVQGW-HNNXBMFYSA-N 1 0 376.444 2.621 20 0 GFADRO CN(C)c1ccncc1C[NH2+]C[C@@H](CO)Cc1ccc(Br)cc1 ZINC000428534991 563494760 /nfs/dbraw/zinc/49/47/60/563494760.db2.gz JDGGSCXGRYJVSO-HNNXBMFYSA-N 1 0 378.314 2.851 20 0 GFADRO Cc1cc(NC(=O)CN2C[C@H](C)O[C@]3(CCCOC3)C2)ccc1Br ZINC000330141827 563497012 /nfs/dbraw/zinc/49/70/12/563497012.db2.gz XWNKUGJNWMMZKM-KBXCAEBGSA-N 1 0 397.313 2.966 20 0 GFADRO Cc1cc(Br)cn2cc(C[NH2+][C@H](C)C(C)(C)n3cncn3)nc12 ZINC000284977980 563497318 /nfs/dbraw/zinc/49/73/18/563497318.db2.gz GASSVLNTENYYFE-GFCCVEGCSA-N 1 0 377.290 2.910 20 0 GFADRO CCS(=O)(=O)c1ccc(C[NH2+][C@@H](C)C2CN(C(=O)OC(C)(C)C)C2)s1 ZINC000285057051 563500930 /nfs/dbraw/zinc/50/09/30/563500930.db2.gz IRTDISDNZZDLPO-LBPRGKRZSA-N 1 0 388.555 2.887 20 0 GFADRO CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)NCCc2c(Cl)cccc2Cl)C1 ZINC000285060936 563501394 /nfs/dbraw/zinc/50/13/94/563501394.db2.gz OOCGAMIHMDYZDA-ZDUSSCGKSA-N 1 0 386.323 2.500 20 0 GFADRO Cc1c(Br)cccc1C(=O)N1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000378375219 563504668 /nfs/dbraw/zinc/50/46/68/563504668.db2.gz ZVBPYGHKEQRYQR-AWEZNQCLSA-N 1 0 394.357 2.998 20 0 GFADRO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000285140454 563505105 /nfs/dbraw/zinc/50/51/05/563505105.db2.gz LVBZUTYGTHVOKG-LBPRGKRZSA-N 1 0 384.307 2.552 20 0 GFADRO C[C@H]([NH2+][C@H]1CCN(c2ccccc2Cl)C1)c1ccc(S(N)(=O)=O)cc1 ZINC000378423011 563506090 /nfs/dbraw/zinc/50/60/90/563506090.db2.gz BSDDZTAMPBVKQA-ZFWWWQNUSA-N 1 0 379.913 2.917 20 0 GFADRO Cc1cc(COc2ccc(C(=O)NCC[C@H](C)[NH3+])cc2Br)on1 ZINC000429016977 563507695 /nfs/dbraw/zinc/50/76/95/563507695.db2.gz BSHOAEFFFJKNIQ-JTQLQIEISA-N 1 0 382.258 2.792 20 0 GFADRO CC(C)c1ccc(Cl)c(S(=O)(=O)NC[C@H](C)CN2CC[NH+](C)CC2)c1 ZINC000330509553 563508844 /nfs/dbraw/zinc/50/88/44/563508844.db2.gz JARFSHXMTAXFMV-HNNXBMFYSA-N 1 0 387.977 2.625 20 0 GFADRO CNS(=O)(=O)[C@@H]1CC[N@H+](CCSc2ccnc3cc(Cl)ccc32)C1 ZINC000378489178 563509381 /nfs/dbraw/zinc/50/93/81/563509381.db2.gz AGRVLYZTFGVZGB-CYBMUJFWSA-N 1 0 385.942 2.604 20 0 GFADRO CS(=O)(=O)[C@H]1CCC[C@H]([NH2+]CCc2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000285239746 563510582 /nfs/dbraw/zinc/51/05/82/563510582.db2.gz PNYSFZKYAHUKOP-GJZGRUSLSA-N 1 0 383.901 2.878 20 0 GFADRO Oc1cccc2c1C[C@@H]([NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1)C2 ZINC000429231849 563512513 /nfs/dbraw/zinc/51/25/13/563512513.db2.gz QZLCLGHTMUJZIB-LSDHHAIUSA-N 1 0 396.256 2.791 20 0 GFADRO CC1(C)Cc2ccc(Br)cc2[C@@H]1[NH2+]CCC(=O)N1CCOCC1 ZINC000429305993 563514347 /nfs/dbraw/zinc/51/43/47/563514347.db2.gz MVKDZABYLKSBOA-KRWDZBQOSA-N 1 0 381.314 2.911 20 0 GFADRO CS(=O)(=O)[C@H]1CCC[C@@H]([NH2+]Cc2cc(Br)cc3c2OCC3)C1 ZINC000378904366 563514557 /nfs/dbraw/zinc/51/45/57/563514557.db2.gz JQGIDTBBPFOPEB-CABCVRRESA-N 1 0 388.327 2.829 20 0 GFADRO CN(C[C@@H]1CCC[N@@H+]1C)S(=O)(=O)c1c(Cl)cccc1Br ZINC000380099877 563514575 /nfs/dbraw/zinc/51/45/75/563514575.db2.gz MYBRNKUMHQGAKA-JTQLQIEISA-N 1 0 381.723 2.817 20 0 GFADRO C[C@H](Cn1cc(Br)cn1)[NH2+]C[C@]1(CO)C[C@H]1c1ccc(F)cc1 ZINC000429416067 563516412 /nfs/dbraw/zinc/51/64/12/563516412.db2.gz BSXJEPQYWIVXRV-DQYPLSBCSA-N 1 0 382.277 2.929 20 0 GFADRO [NH3+]C[C@@H]1CC[C@H](NC(=O)c2ccc(I)c(Cl)c2)C1 ZINC000382441850 563516694 /nfs/dbraw/zinc/51/66/94/563516694.db2.gz QEXIEBJQZVZPRJ-SCZZXKLOSA-N 1 0 378.641 2.802 20 0 GFADRO CSC[C@H]([NH2+]CCNS(=O)(=O)NC(C)C)c1ccc(C(F)(F)F)cc1 ZINC000429456509 563516790 /nfs/dbraw/zinc/51/67/90/563516790.db2.gz SMMJYGLOTIJEBI-AWEZNQCLSA-N 1 0 399.504 2.532 20 0 GFADRO C[C@H](Nc1cnn(C)c(=O)c1Br)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000383526297 563517050 /nfs/dbraw/zinc/51/70/50/563517050.db2.gz PMRPBCDCTYBEJJ-ZFWWWQNUSA-N 1 0 391.313 2.865 20 0 GFADRO CC[C@](C)([NH3+])c1cn(CC(=O)N[C@@H](C)c2ccc(Br)cc2)nn1 ZINC000384135621 563517113 /nfs/dbraw/zinc/51/71/13/563517113.db2.gz DJJDGHAGOPVJCY-ZBEGNZNMSA-N 1 0 380.290 2.502 20 0 GFADRO COC[C@H]([NH2+]C[C@@H](CO)Cc1ccccc1Br)C1CCOCC1 ZINC000429458441 563517203 /nfs/dbraw/zinc/51/72/03/563517203.db2.gz WLUNGQQBVVURKB-KSSFIOAISA-N 1 0 386.330 2.631 20 0 GFADRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)c1cc(Br)ccc1Br ZINC000389738175 563521981 /nfs/dbraw/zinc/52/19/81/563521981.db2.gz WQDLKEKHTFHULI-PELKAZGASA-N 1 0 376.092 2.939 20 0 GFADRO O=C(NCCC1CC[NH2+]CC1)c1c(F)cccc1I ZINC000390823729 563523452 /nfs/dbraw/zinc/52/34/52/563523452.db2.gz DZIGTVBNOSDQKH-UHFFFAOYSA-N 1 0 376.213 2.550 20 0 GFADRO C[NH+](C)CC[C@@](C)(O)CNC(=O)c1ccc(Br)cc1C(F)(F)F ZINC000429936406 563529308 /nfs/dbraw/zinc/52/93/08/563529308.db2.gz OFPVDNCUTPAJKH-CQSZACIVSA-N 1 0 397.235 2.900 20 0 GFADRO Cc1nc(NC(=O)[C@H]2C[NH2+]CCO2)sc1Cc1cccc(Br)c1 ZINC000429979419 563530750 /nfs/dbraw/zinc/53/07/50/563530750.db2.gz IJRIKYIDMJNCKA-CYBMUJFWSA-N 1 0 396.310 2.732 20 0 GFADRO C[C@H]1C[N@H+](CC(=O)Nc2ccc(Cl)c(S(=O)(=O)N(C)C)c2)C(C)(C)C1 ZINC000331017888 563531692 /nfs/dbraw/zinc/53/16/92/563531692.db2.gz VVEKCXHNTVWPAD-GFCCVEGCSA-N 1 0 387.933 2.649 20 0 GFADRO CS(=O)(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nc4ccccc4s3)o2)C1 ZINC000400284230 563534238 /nfs/dbraw/zinc/53/42/38/563534238.db2.gz NHLOSLSDMJVTQO-LBPRGKRZSA-N 1 0 377.491 2.680 20 0 GFADRO CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H](CO)Cc1ccc(Br)cc1 ZINC000430138180 563535456 /nfs/dbraw/zinc/53/54/56/563535456.db2.gz HJJNOSNQHAFRBY-NVXWUHKLSA-N 1 0 383.330 2.591 20 0 GFADRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)CCS(=O)(=O)c1ccc(Cl)cc1 ZINC000285749467 563535573 /nfs/dbraw/zinc/53/55/73/563535573.db2.gz JWCPGVCIGBAPEC-GOEBONIOSA-N 1 0 384.929 2.589 20 0 GFADRO Brc1cnc(N2CCO[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]32)nc1 ZINC000404162940 563536314 /nfs/dbraw/zinc/53/63/14/563536314.db2.gz SUFJWJJJCJLRKN-IAGOWNOFSA-N 1 0 389.297 2.719 20 0 GFADRO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NC[C@@H](CO)Cc1ccc(Br)cc1 ZINC000430178497 563537938 /nfs/dbraw/zinc/53/79/38/563537938.db2.gz MKMBRGRFXYCFFV-LZWOXQAQSA-N 1 0 383.330 2.589 20 0 GFADRO Cc1cc(C[NH2+][C@@H]2CCCC[C@H]2NS(C)(=O)=O)sc1Br ZINC000331169505 563538542 /nfs/dbraw/zinc/53/85/42/563538542.db2.gz IWLSHOTWSWLAMP-VXGBXAGGSA-N 1 0 381.361 2.769 20 0 GFADRO CNC(=O)[C@@]1(C)CC[N@H+](Cc2cc3c(cc2Br)OCCCO3)C1 ZINC000430274150 563540419 /nfs/dbraw/zinc/54/04/19/563540419.db2.gz GTLNNYWRSUEXMB-KRWDZBQOSA-N 1 0 383.286 2.568 20 0 GFADRO CNC(=O)[C@@]1(C)CC[N@@H+]([C@H](C)C(=O)Nc2ccc(Br)c(C)c2)C1 ZINC000430269170 563540509 /nfs/dbraw/zinc/54/05/09/563540509.db2.gz NFYDOMQRWDQDBV-PXAZEXFGSA-N 1 0 382.302 2.543 20 0 GFADRO COc1cc(S(=O)(=O)N[C@H]2CCC[N@@H+](C(C)C)C2)ccc1Br ZINC000331228619 563541194 /nfs/dbraw/zinc/54/11/94/563541194.db2.gz GLNWCYONNUCNRZ-LBPRGKRZSA-N 1 0 391.331 2.609 20 0 GFADRO C[C@@H]([NH2+]CCSCCOc1cccc(Br)c1)c1ccc(=O)[nH]n1 ZINC000285931059 563542590 /nfs/dbraw/zinc/54/25/90/563542590.db2.gz FFSUFGCULLDRJU-GFCCVEGCSA-N 1 0 398.326 2.995 20 0 GFADRO COC(=O)c1csc([C@H](C)[NH2+]C2CCN(S(=O)(=O)CC(C)C)CC2)c1 ZINC000285948152 563542942 /nfs/dbraw/zinc/54/29/42/563542942.db2.gz DUFVKAMGAZIJQP-ZDUSSCGKSA-N 1 0 388.555 2.636 20 0 GFADRO CCS[C@@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000285994360 563545165 /nfs/dbraw/zinc/54/51/65/563545165.db2.gz FZDKDZPJLULFNO-UONOGXRCSA-N 1 0 392.493 2.885 20 0 GFADRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)Cc2cc[nH]c(=O)c2Br)C1 ZINC000331324225 563545981 /nfs/dbraw/zinc/54/59/81/563545981.db2.gz MUSAQHAHKIKBAI-CYBMUJFWSA-N 1 0 384.318 2.576 20 0 GFADRO CCOCCCC[NH2+][C@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430690918 563547715 /nfs/dbraw/zinc/54/77/15/563547715.db2.gz JMFFDSQCGVDPFB-LLVKDONJSA-N 1 0 379.320 2.564 20 0 GFADRO O=S(=O)(c1ccc(Br)o1)N1CCC([NH+]2CCCCC2)CC1 ZINC000408216756 563548218 /nfs/dbraw/zinc/54/82/18/563548218.db2.gz WJCMWVOHVNAGTB-UHFFFAOYSA-N 1 0 377.304 2.681 20 0 GFADRO CC[C@H](c1ccc(Br)cc1)N1CCN(C(=O)[C@H](C)C[NH2+]C)CC1 ZINC000430905602 563550266 /nfs/dbraw/zinc/55/02/66/563550266.db2.gz FYFMBYXRKUNCKY-RHSMWYFYSA-N 1 0 382.346 2.900 20 0 GFADRO Cc1nn(C)c(NC(=O)N2C[C@H]([NH3+])[C@@H](C)C2)c1-c1ccc(Br)cc1 ZINC000331496569 563551092 /nfs/dbraw/zinc/55/10/92/563551092.db2.gz HDPLGESAQMMTQJ-HZMBPMFUSA-N 1 0 392.301 2.969 20 0 GFADRO C[NH+](C)Cc1c2ccccc2oc1C(=O)NCCn1cc(Br)cn1 ZINC000286160148 563551190 /nfs/dbraw/zinc/55/11/90/563551190.db2.gz BQOUSPBDBHMOMO-UHFFFAOYSA-N 1 0 391.269 2.883 20 0 GFADRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NS(=O)(=O)c1ccc(OC(F)F)c(Cl)c1 ZINC000331491877 563551259 /nfs/dbraw/zinc/55/12/59/563551259.db2.gz KRXFKMYNRHYFDE-RNCFNFMXSA-N 1 0 380.844 2.702 20 0 GFADRO COCCCOc1ccc(Cl)cc1S(=O)(=O)NC(C)(C)CCC[NH3+] ZINC000431015312 563551527 /nfs/dbraw/zinc/55/15/27/563551527.db2.gz OJRVXRFJFOKYFK-UHFFFAOYSA-N 1 0 378.922 2.551 20 0 GFADRO O=S(=O)(c1cc(Cl)ccc1Br)N1CCC2(CC[NH2+]C2)CC1 ZINC000431038022 563552216 /nfs/dbraw/zinc/55/22/16/563552216.db2.gz QVTKSFYRZAUKGO-UHFFFAOYSA-N 1 0 393.734 2.867 20 0 GFADRO COc1cc(C(=O)N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cc(Br)c1OC ZINC000331532551 563552471 /nfs/dbraw/zinc/55/24/71/563552471.db2.gz PMVHPPOJHQXFSD-PWSUYJOCSA-N 1 0 383.286 2.821 20 0 GFADRO CCCN(C)[C@@H](CNC(=O)C[C@H]1CCS(=O)(=O)C1)c1ccc(Cl)cc1 ZINC000286350126 563557101 /nfs/dbraw/zinc/55/71/01/563557101.db2.gz MKTIYGRFMVILBV-PBHICJAKSA-N 1 0 386.945 2.664 20 0 GFADRO Cc1cc(Br)cnc1NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000286343721 563557409 /nfs/dbraw/zinc/55/74/09/563557409.db2.gz KZSKLHMIZMCWTG-GOOCMWNKSA-N 1 0 381.318 2.648 20 0 GFADRO C[C@@H]1CN(C(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)c(Cl)c3)C2)C[C@@H]1[NH3+] ZINC000331727284 563559367 /nfs/dbraw/zinc/55/93/67/563559367.db2.gz NDLJKTNXTNMDQR-KFNAQCHYSA-N 1 0 384.307 2.651 20 0 GFADRO COCC[N@H+](C)CCCNC(=O)[C@@H]1C[C@@]12CCc1cc(Br)ccc12 ZINC000409452322 563561415 /nfs/dbraw/zinc/56/14/15/563561415.db2.gz HNJQKKSCNGYMSZ-PKOBYXMFSA-N 1 0 395.341 2.738 20 0 GFADRO Cc1ncc(Br)cc1NC(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000331779357 563562255 /nfs/dbraw/zinc/56/22/55/563562255.db2.gz HGLQKJBOISYIDW-CQSZACIVSA-N 1 0 397.317 2.729 20 0 GFADRO Cc1nn(-c2ccc(C(=O)N3C[C@H]([NH3+])[C@@H](C)C3)cc2)c(C)c1Br ZINC000331900307 563566434 /nfs/dbraw/zinc/56/64/34/563566434.db2.gz ITFBONQOVODUHP-BONVTDFDSA-N 1 0 377.286 2.671 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@H]2C)c(Br)c1 ZINC000431715864 563567305 /nfs/dbraw/zinc/56/73/05/563567305.db2.gz OCSCGUAKLZCNII-IUODEOHRSA-N 1 0 394.313 2.603 20 0 GFADRO COc1cc(Cl)c(S(=O)(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)cc1OC ZINC000331922242 563567653 /nfs/dbraw/zinc/56/76/53/563567653.db2.gz JTTOAMBGAKKAAD-LBPRGKRZSA-N 1 0 388.917 2.652 20 0 GFADRO Cc1c([C@H]2[C@H]([NH2+]Cc3ccc(C)cc3Br)CC(=O)N2C)cnn1C ZINC000331947792 563568221 /nfs/dbraw/zinc/56/82/21/563568221.db2.gz FZTMULONBDPSJY-AEFFLSMTSA-N 1 0 391.313 2.861 20 0 GFADRO CC[NH+](CC)[C@@H]1CCN(C(=O)c2cnc3ccc(Br)cc3c2O)C1 ZINC000331966041 563568974 /nfs/dbraw/zinc/56/89/74/563568974.db2.gz KGKFACUOOLJAJN-CYBMUJFWSA-N 1 0 392.297 2.847 20 0 GFADRO O=C(CCCOc1cccc(Cl)c1Cl)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000286654507 563569148 /nfs/dbraw/zinc/56/91/48/563569148.db2.gz CPUPREPUIPKRKB-AWEZNQCLSA-N 1 0 386.323 2.659 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccn(-c2ccc(Br)cc2)n1 ZINC000431824606 563569369 /nfs/dbraw/zinc/56/93/69/563569369.db2.gz RBDSRLONSWMGHJ-ZBFHGGJFSA-N 1 0 389.297 2.991 20 0 GFADRO C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)CC[C@@H]1[NH3+] ZINC000331984825 563569559 /nfs/dbraw/zinc/56/95/59/563569559.db2.gz YEUQLEFDBYXTNR-RLCCDNCMSA-N 1 0 384.307 2.853 20 0 GFADRO C[NH+](C)C1(CNS(=O)(=O)c2csc3ccc(Cl)cc32)CCOCC1 ZINC000431845193 563570205 /nfs/dbraw/zinc/57/02/05/563570205.db2.gz GIPSEEPWFCXHRW-UHFFFAOYSA-N 1 0 388.942 2.944 20 0 GFADRO C[C@H](NC(=O)c1ccc(Br)cc1)C(=O)N1CCC[C@@H]([NH+](C)C)CC1 ZINC000331994987 563570548 /nfs/dbraw/zinc/57/05/48/563570548.db2.gz NATUUYSPJLTPSS-XJKSGUPXSA-N 1 0 396.329 2.510 20 0 GFADRO C[C@H](CC[NH+](C)C)NC(=O)[C@H](C)Oc1ccc(I)cc1 ZINC000409756934 563570602 /nfs/dbraw/zinc/57/06/02/563570602.db2.gz AOGSPTVBYZXGQK-NEPJUHHUSA-N 1 0 390.265 2.515 20 0 GFADRO C[C@@H](CC[NH+](C)C)NC(=O)[C@H](C)Oc1ccc(I)cc1 ZINC000409756935 563570892 /nfs/dbraw/zinc/57/08/92/563570892.db2.gz AOGSPTVBYZXGQK-RYUDHWBXSA-N 1 0 390.265 2.515 20 0 GFADRO O=C(NCc1ccc(O)c(Br)c1)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000332007868 563571284 /nfs/dbraw/zinc/57/12/84/563571284.db2.gz YUPUJXUHETUQKZ-AWEZNQCLSA-N 1 0 399.354 2.988 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)NC[C@H](C)C[NH+]2CCCC2)c(Br)c1 ZINC000431979862 563573054 /nfs/dbraw/zinc/57/30/54/563573054.db2.gz GIJIEQGHBZJTGI-ZDUSSCGKSA-N 1 0 396.329 2.853 20 0 GFADRO C[C@@H]1CN(C(=O)C(=O)N2CCC(c3c(Cl)cccc3Cl)CC2)C[C@@H]1[NH3+] ZINC000332106493 563576883 /nfs/dbraw/zinc/57/68/83/563576883.db2.gz DWCRQTSJAWEULM-ABAIWWIYSA-N 1 0 384.307 2.505 20 0 GFADRO C[C@H]1CN(C(=O)C(=O)N2CCC(c3c(Cl)cccc3Cl)CC2)C[C@H]1[NH3+] ZINC000332106502 563576940 /nfs/dbraw/zinc/57/69/40/563576940.db2.gz DWCRQTSJAWEULM-XHDPSFHLSA-N 1 0 384.307 2.505 20 0 GFADRO C[C@@H]1C[N@H+](CCCNS(=O)(=O)c2cccc(Cl)c2Cl)CCCO1 ZINC000432310127 563580701 /nfs/dbraw/zinc/58/07/01/563580701.db2.gz FVXRIWIYCMDCRN-GFCCVEGCSA-N 1 0 381.325 2.773 20 0 GFADRO C[C@H]1C[N@H+](CCCNS(=O)(=O)c2cc(Cl)sc2Cl)CCCO1 ZINC000432340645 563581421 /nfs/dbraw/zinc/58/14/21/563581421.db2.gz NWSFQTZBOHKXPK-JTQLQIEISA-N 1 0 387.354 2.834 20 0 GFADRO CC1(C)[C@H]([NH2+][C@@H]2CCN(c3cccc(Br)c3)C2=O)[C@@H]2CCO[C@H]21 ZINC000432339787 563581460 /nfs/dbraw/zinc/58/14/60/563581460.db2.gz UTOPMYFMCHDTCJ-ZJIFWQFVSA-N 1 0 379.298 2.958 20 0 GFADRO O=C(NCC[N@H+]1CC=CCC1)Nc1ccn(-c2ccc(Cl)cc2Cl)n1 ZINC000432359441 563582189 /nfs/dbraw/zinc/58/21/89/563582189.db2.gz SUMDQMFPHAKMCM-UHFFFAOYSA-N 1 0 380.279 3.563 20 0 GFADRO CC[C@@H](C)[N@H+](C)CCNS(=O)(=O)Cc1cc(OC)ccc1Br ZINC000410138485 563582380 /nfs/dbraw/zinc/58/23/80/563582380.db2.gz RSOBLTZTRZJBOO-GFCCVEGCSA-N 1 0 393.347 2.607 20 0 GFADRO CCCC[NH+]1CCC(NC(=O)N[C@@H](C)c2ncc(Br)cn2)CC1 ZINC000432528468 563586044 /nfs/dbraw/zinc/58/60/44/563586044.db2.gz WVFLQBFTEMDKDU-LBPRGKRZSA-N 1 0 384.322 2.864 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)Nc3ccc(I)cc3)C[C@@H]21 ZINC000332246949 563587198 /nfs/dbraw/zinc/58/71/98/563587198.db2.gz SUIJBMILNQAPRP-DDTOSNHZSA-N 1 0 385.249 2.882 20 0 GFADRO C[C@@H](C[NH+](C)C)NC(=O)C[C@](O)(c1nc2ccccc2s1)C(F)(F)F ZINC000287189351 563590991 /nfs/dbraw/zinc/59/09/91/563590991.db2.gz MCKXDPAJBUHZFT-BONVTDFDSA-N 1 0 375.416 2.503 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c(Br)c1 ZINC000332311847 563592194 /nfs/dbraw/zinc/59/21/94/563592194.db2.gz HWGSYNLOZBEYLZ-GUTXKFCHSA-N 1 0 394.313 2.590 20 0 GFADRO O=C(Nc1cc(Cl)c(Cl)cc1Cl)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000332342086 563594244 /nfs/dbraw/zinc/59/42/44/563594244.db2.gz SEMKCDFKYGUPTJ-IUCAKERBSA-N 1 0 376.671 2.653 20 0 GFADRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)CCCS(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000287303502 563595475 /nfs/dbraw/zinc/59/54/75/563595475.db2.gz DQHJTJBDSUSRCU-HOTGVXAUSA-N 1 0 386.945 2.883 20 0 GFADRO C[NH+](C)Cc1ccc(S(=O)(=O)NCc2cccc(Br)c2)cc1 ZINC000432875888 563596225 /nfs/dbraw/zinc/59/62/25/563596225.db2.gz YLFQNALLZHCGFH-UHFFFAOYSA-N 1 0 383.311 2.989 20 0 GFADRO COC(=O)c1ccc(C[NH2+]C[C@@H](CO)Cc2ccc(Br)cc2)o1 ZINC000432912206 563596551 /nfs/dbraw/zinc/59/65/51/563596551.db2.gz MGOWWHABVVQFSA-ZDUSSCGKSA-N 1 0 382.254 2.770 20 0 GFADRO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)Nc1nc(-c2ccc(C)s2)cs1 ZINC000287324611 563596990 /nfs/dbraw/zinc/59/69/90/563596990.db2.gz FLZSTGDTYAHPGQ-LLVKDONJSA-N 1 0 380.539 2.965 20 0 GFADRO C[C@@H]1CN(C(=O)N[C@@H]2CCSc3ccc(Cl)cc32)C[C@H](C)[N@H+]1CCO ZINC000332398228 563597094 /nfs/dbraw/zinc/59/70/94/563597094.db2.gz XMGUOCQYPPUVOM-DVOMOZLQSA-N 1 0 383.945 2.973 20 0 GFADRO O=C(Nc1ccc(Br)cn1)C1CC[NH+](CC2(O)CCCC2)CC1 ZINC000332442275 563598857 /nfs/dbraw/zinc/59/88/57/563598857.db2.gz BJKLZTDOCDSXOL-UHFFFAOYSA-N 1 0 382.302 2.800 20 0 GFADRO CCCN(CCC[NH+](C)C)C(=O)C(=O)N(C)Cc1ccc(Br)cc1 ZINC000410909397 563599474 /nfs/dbraw/zinc/59/94/74/563599474.db2.gz LQECFPXUGXUOLN-UHFFFAOYSA-N 1 0 398.345 2.598 20 0 GFADRO C[C@H](c1ccc(Br)cc1)[NH+]1CCC([C@]2(C)NC(=O)NC2=O)CC1 ZINC000332466841 563600439 /nfs/dbraw/zinc/60/04/39/563600439.db2.gz SKIWPKWCKORYOI-DIFFPNOSSA-N 1 0 380.286 2.820 20 0 GFADRO CNC(=O)c1cccc(NC(=O)NCC[NH+]2CCCCCC2)c1Br ZINC000287482834 563603743 /nfs/dbraw/zinc/60/37/43/563603743.db2.gz SDNKVKMZLHESAT-UHFFFAOYSA-N 1 0 397.317 2.806 20 0 GFADRO O=S(=O)(Cc1cccc(Br)c1)NCC1CC[NH+](C2CC2)CC1 ZINC000287485099 563603817 /nfs/dbraw/zinc/60/38/17/563603817.db2.gz TUAIOYIRYHBECA-UHFFFAOYSA-N 1 0 387.343 2.743 20 0 GFADRO Cc1nc(NC(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)ccc1Br ZINC000433122327 563604281 /nfs/dbraw/zinc/60/42/81/563604281.db2.gz QBFYGTPFKBKEQG-GFCCVEGCSA-N 1 0 385.306 2.775 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H](NC(=O)N2CCN(c3cccc(Br)c3)CC2)C1 ZINC000332553396 563604387 /nfs/dbraw/zinc/60/43/87/563604387.db2.gz QTPZIRNXAMCUHN-HUUCEWRRSA-N 1 0 381.318 2.551 20 0 GFADRO CCOC(=O)C[C@@H](NC(=O)[C@@H](C[NH3+])C(C)C)c1ccc(Br)cc1 ZINC000433150355 563604768 /nfs/dbraw/zinc/60/47/68/563604768.db2.gz GDGVHXGIZKASAN-LSDHHAIUSA-N 1 0 385.302 2.791 20 0 GFADRO C[C@@H]([NH2+]CCC1(O)CCOCC1)c1ccc(I)cc1 ZINC000287516631 563605075 /nfs/dbraw/zinc/60/50/75/563605075.db2.gz OJDNVAFGQXPXGW-GFCCVEGCSA-N 1 0 375.250 2.873 20 0 GFADRO CC(C)[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000332577323 563605009 /nfs/dbraw/zinc/60/50/09/563605009.db2.gz ZLDLYXPSYRKEJQ-XJKSGUPXSA-N 1 0 385.961 2.956 20 0 GFADRO CC(C)[C@H](C[NH3+])C(=O)N[C@H](C)c1nc(-c2ccc(Br)cc2)no1 ZINC000433151090 563605069 /nfs/dbraw/zinc/60/50/69/563605069.db2.gz HJISWBTVJPRNPX-MFKMUULPSA-N 1 0 381.274 2.907 20 0 GFADRO Cc1ccc(F)c(NC(=O)C(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2C)c1Br ZINC000332577190 563605129 /nfs/dbraw/zinc/60/51/29/563605129.db2.gz GLPBAXVZRWIMBM-NEPJUHHUSA-N 1 0 398.276 2.530 20 0 GFADRO OCC[N@H+](C[C@@H](O)COc1c(Cl)cccc1Cl)[C@H]1CCCSC1 ZINC000433198276 563605944 /nfs/dbraw/zinc/60/59/44/563605944.db2.gz XOKMRZFUQPZRAG-QWHCGFSZSA-N 1 0 380.337 2.923 20 0 GFADRO CNS(=O)(=O)c1cccc([C@H](C)[NH2+]C[C@H](O)Cc2cccc(Cl)c2)c1 ZINC000287559373 563607143 /nfs/dbraw/zinc/60/71/43/563607143.db2.gz BCJXBOKDRVFGDF-SUMWQHHRSA-N 1 0 382.913 2.502 20 0 GFADRO CC(=O)N1CCC([NH2+]Cc2cnn(-c3ccc(Br)cc3)c2)CC1 ZINC000332615237 563607262 /nfs/dbraw/zinc/60/72/62/563607262.db2.gz CPLUWDCWQGFDQB-UHFFFAOYSA-N 1 0 377.286 2.735 20 0 GFADRO O=C(C1CC[NH+]([C@H]2CCSC2)CC1)N1CCN(Cc2cccs2)CC1 ZINC000411175576 563608482 /nfs/dbraw/zinc/60/84/82/563608482.db2.gz DHSNOTHWGHWDOU-KRWDZBQOSA-N 1 0 379.595 2.610 20 0 GFADRO COC[C@H](C)OC[C@@H](O)C[N@@H+]1CC[C@H](Cc2ccc(Br)cc2)C1 ZINC000433296613 563609285 /nfs/dbraw/zinc/60/92/85/563609285.db2.gz IUXXNUOYVHIDFL-LESCRADOSA-N 1 0 386.330 2.726 20 0 GFADRO CC1(C)CC[NH+](CC(=O)NCC(=O)Nc2ccccc2Br)CC1 ZINC000332643548 563609767 /nfs/dbraw/zinc/60/97/67/563609767.db2.gz WHHIBESXDMFCIS-UHFFFAOYSA-N 1 0 382.302 2.626 20 0 GFADRO C[C@@H]1C[N@H+](CCCNC(=O)NCc2cccc(Br)c2)CCCO1 ZINC000433332023 563610084 /nfs/dbraw/zinc/61/00/84/563610084.db2.gz RFBHXYBVVULOJJ-CQSZACIVSA-N 1 0 384.318 2.749 20 0 GFADRO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1cc(N(C)C)c(Br)cn1 ZINC000332678513 563611081 /nfs/dbraw/zinc/61/10/81/563611081.db2.gz OMTVNWPZMNISJV-RYUDHWBXSA-N 1 0 382.306 2.611 20 0 GFADRO C[C@@H]([NH2+][C@H]1CCOc2c(Br)cccc21)C(=O)NC(=O)NC(C)(C)C ZINC000332709925 563612599 /nfs/dbraw/zinc/61/25/99/563612599.db2.gz YNFIJNOCBMKERF-MFKMUULPSA-N 1 0 398.301 2.875 20 0 GFADRO C[C@@H]1CCN(C(=O)N[C@@H]2CCN(c3cccc(Br)c3)C2)C[C@H]1C[NH3+] ZINC000332699481 563612605 /nfs/dbraw/zinc/61/26/05/563612605.db2.gz SGAWMFUUCPOIBQ-IIAWOOMASA-N 1 0 395.345 2.654 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)c2ccn(-c3cccc(Br)c3)n2)CC[N@@H+]1C ZINC000332714562 563613288 /nfs/dbraw/zinc/61/32/88/563613288.db2.gz ZKSSKFLHOXYMNK-TZMCWYRMSA-N 1 0 377.286 2.847 20 0 GFADRO O=C(CC[NH2+]C1(CO)Cc2ccccc2C1)Nc1ccccc1Br ZINC000411284788 563613644 /nfs/dbraw/zinc/61/36/44/563613644.db2.gz SVNWMBPCEFHVCJ-UHFFFAOYSA-N 1 0 389.293 2.897 20 0 GFADRO CN(C)c1cc(NC(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)ncc1Br ZINC000333096758 563620223 /nfs/dbraw/zinc/62/02/23/563620223.db2.gz AHNNESNMWDEWBP-CQSZACIVSA-N 1 0 396.333 2.906 20 0 GFADRO O=C(CCN1CCOC[C@H]1[C@H]1CCCO1)Nc1ccccc1Br ZINC000333128459 563621533 /nfs/dbraw/zinc/62/15/33/563621533.db2.gz JGLMKZRGQWMQCP-JKSUJKDBSA-N 1 0 383.286 2.658 20 0 GFADRO COC(=O)C[C@]1([NH2+]CCC(=O)Nc2cc(Cl)ccc2Cl)CCOC1 ZINC000411545041 563622893 /nfs/dbraw/zinc/62/28/93/563622893.db2.gz PEUPEUFSRVHHBQ-MRXNPFEDSA-N 1 0 375.252 2.634 20 0 GFADRO CSc1cc(NC(=O)C(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)ccc1Cl ZINC000411557656 563623737 /nfs/dbraw/zinc/62/37/37/563623737.db2.gz DEQWQCVKWYLWHJ-SFHVURJKSA-N 1 0 381.929 2.945 20 0 GFADRO CN(Cc1cc(Br)cn1C)C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000433951660 563623830 /nfs/dbraw/zinc/62/38/30/563623830.db2.gz UVACZQIOKVUBEX-HNNXBMFYSA-N 1 0 383.334 2.946 20 0 GFADRO COc1cc(Br)c(NC(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1OC ZINC000333195752 563624225 /nfs/dbraw/zinc/62/42/25/563624225.db2.gz WDOIVWGQXNVHRI-MNOVXSKESA-N 1 0 384.274 2.540 20 0 GFADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)NCc2cc(F)c(Cl)cc2F)C1 ZINC000433992458 563624766 /nfs/dbraw/zinc/62/47/66/563624766.db2.gz CWYXSLDGBWELRK-CYBMUJFWSA-N 1 0 375.847 2.774 20 0 GFADRO [NH3+][C@@H]1CCCO[C@H]1C1CCN(C(=O)Cc2cc(F)ccc2Br)CC1 ZINC000333275732 563626682 /nfs/dbraw/zinc/62/66/82/563626682.db2.gz LKFZNLJDSMWTHK-AEFFLSMTSA-N 1 0 399.304 2.876 20 0 GFADRO COCC[C@@]1([NH2+]CCC(=O)Nc2ccc(Br)cc2F)CCOC1 ZINC000411640223 563627685 /nfs/dbraw/zinc/62/76/85/563627685.db2.gz KBPOSEJCZHZVOE-MRXNPFEDSA-N 1 0 389.265 2.702 20 0 GFADRO CC[NH+]1CCC(NC(=O)CN[C@@H](C)c2ccc(Br)cc2F)CC1 ZINC000411733604 563631801 /nfs/dbraw/zinc/63/18/01/563631801.db2.gz WAGZDZASHXKFJH-LBPRGKRZSA-N 1 0 386.309 2.839 20 0 GFADRO C[C@H]([NH2+][C@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1)C(=O)NCC(F)(F)F ZINC000411749588 563633084 /nfs/dbraw/zinc/63/30/84/563633084.db2.gz OYNLRRFDGCVRRT-QCZZGDTMSA-N 1 0 381.801 2.881 20 0 GFADRO CO[C@H]1C[C@H]2C[C@H]([NH2+][C@@H]3CCCN(S(=O)(=O)c4cccs4)C3)C[C@H]2C1 ZINC000333576006 563635922 /nfs/dbraw/zinc/63/59/22/563635922.db2.gz NCOOIRJZUKXNDP-ALYAQQCSSA-N 1 0 384.567 2.694 20 0 GFADRO COc1cc(Br)c(S(=O)(=O)N[C@H]2CCCC[NH2+]C2)cc1Cl ZINC000333640185 563637897 /nfs/dbraw/zinc/63/78/97/563637897.db2.gz IAOHZWOJKQZETH-VIFPVBQESA-N 1 0 397.722 2.532 20 0 GFADRO [NH3+][C@H]1CCCO[C@H]1C1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000333665979 563638659 /nfs/dbraw/zinc/63/86/59/563638659.db2.gz MJCJSEKZUYJCBY-HOTGVXAUSA-N 1 0 393.336 2.900 20 0 GFADRO O=C(C[N@@H+]1CCSC2(CCC2)CC1)N1CCN(Cc2ccsc2)CC1 ZINC000411869404 563638878 /nfs/dbraw/zinc/63/88/78/563638878.db2.gz MWLUEWWGTHWGEK-UHFFFAOYSA-N 1 0 379.595 2.754 20 0 GFADRO Cc1cc(S(=O)(=O)N2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)sc1Cl ZINC000333709014 563639953 /nfs/dbraw/zinc/63/99/53/563639953.db2.gz RYZRQDYZWAFVOY-GXTWGEPZSA-N 1 0 378.947 2.617 20 0 GFADRO [NH3+][C@H]1CCO[C@@H](C2CCN(S(=O)(=O)c3ccc(Cl)cc3Cl)CC2)C1 ZINC000333740962 563640512 /nfs/dbraw/zinc/64/05/12/563640512.db2.gz XPQNJUWTDCFNEL-DZGCQCFKSA-N 1 0 393.336 2.900 20 0 GFADRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)Nc1ccc(Br)c(C)c1F ZINC000434956721 563640612 /nfs/dbraw/zinc/64/06/12/563640612.db2.gz UVZXIUZHHXUYRN-SNVBAGLBSA-N 1 0 388.281 2.682 20 0 GFADRO O=C(NC[C@H]1CCC[NH2+]1)N1CCO[C@@H](c2cc(F)c(Cl)cc2Cl)C1 ZINC000333792110 563641890 /nfs/dbraw/zinc/64/18/90/563641890.db2.gz GINXBKLVNVGZHM-MEBBXXQBSA-N 1 0 376.259 2.967 20 0 GFADRO C[C@H]1[C@H](NC(=O)c2csc(S(C)(=O)=O)c2)CCN1Cc1ccccc1 ZINC000288446791 563643577 /nfs/dbraw/zinc/64/35/77/563643577.db2.gz YUGVKXZDOCOJFG-XJKSGUPXSA-N 1 0 378.519 2.544 20 0 GFADRO OC[C@H]([NH2+]Cc1ncc(-c2ccccc2Br)o1)[C@@H]1CCCOC1 ZINC000412000815 563644195 /nfs/dbraw/zinc/64/41/95/563644195.db2.gz ZLOIRNJVWNSXRI-DOMZBBRYSA-N 1 0 381.270 2.981 20 0 GFADRO O=C(C[NH2+][C@@H](CO)[C@H]1CCCOC1)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000411995904 563644235 /nfs/dbraw/zinc/64/42/35/563644235.db2.gz QXAZQEURDSDKMN-HZMBPMFUSA-N 1 0 380.794 2.674 20 0 GFADRO C[C@@H]1C[C@H](O)C[N@H+](C[C@@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000412032166 563644655 /nfs/dbraw/zinc/64/46/55/563644655.db2.gz HJBBQJDCPLVURB-KGYLQXTDSA-N 1 0 378.694 2.545 20 0 GFADRO C[C@H]1[C@H](CO)CCC[N@@H+]1CC(=O)N(C)Cc1cc(Br)cs1 ZINC000412061300 563646226 /nfs/dbraw/zinc/64/62/26/563646226.db2.gz AFHPJYFHLIPHIO-RYUDHWBXSA-N 1 0 375.332 2.562 20 0 GFADRO CC(C)[N@H+](C[C@@H](O)COc1c(Cl)cccc1Cl)C[C@H]1CCC(=O)N1 ZINC000412080904 563647913 /nfs/dbraw/zinc/64/79/13/563647913.db2.gz ODLQDZQIUREJGJ-CHWSQXEVSA-N 1 0 375.296 2.722 20 0 GFADRO C[C@@H](C(=O)N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1)N1CCOCC1 ZINC000435354077 563647928 /nfs/dbraw/zinc/64/79/28/563647928.db2.gz KUZAYGAQVTYRPD-NWDGAFQWSA-N 1 0 377.432 2.589 20 0 GFADRO CC(C)[N@@H+](CC(=O)N[C@H](C)c1ccc(Br)cc1)C[C@H]1CCC(=O)N1 ZINC000412096913 563648524 /nfs/dbraw/zinc/64/85/24/563648524.db2.gz YSIHYYJLFUPPTM-CZUORRHYSA-N 1 0 396.329 2.615 20 0 GFADRO CO[C@H]1CCN(Cc2nc(-c3ccc(Br)cc3)c[nH]2)[C@H](C[NH3+])C1 ZINC000435387300 563649068 /nfs/dbraw/zinc/64/90/68/563649068.db2.gz ZGZDYRYRKWRAOZ-GJZGRUSLSA-N 1 0 379.302 2.777 20 0 GFADRO Cc1ccc(C(=O)N(CC[NH+](C)C)Cc2ccc(Br)cc2)nn1 ZINC000412195122 563650040 /nfs/dbraw/zinc/65/00/40/563650040.db2.gz CGRSOEQKWCWJSQ-UHFFFAOYSA-N 1 0 377.286 2.752 20 0 GFADRO C[C@H]1CS(=O)(=O)C[C@H]1[NH2+]Cc1cc(Br)cc(Br)c1 ZINC000288618221 563650186 /nfs/dbraw/zinc/65/01/86/563650186.db2.gz RHOSEZHTHBOMJC-QPUJVOFHSA-N 1 0 397.132 2.734 20 0 GFADRO CN1CCO[C@@H](CNC(=O)N[C@@H](c2ccc(F)c(Cl)c2)C(F)(F)F)C1 ZINC000334102818 563651983 /nfs/dbraw/zinc/65/19/83/563651983.db2.gz FFHQZJHWXMPVTO-GWCFXTLKSA-N 1 0 383.773 2.712 20 0 GFADRO CC(C)[N@H+](C)CCCNC(=O)[C@@H]1CC(=O)Nc2ccc(Br)cc21 ZINC000435457797 563652395 /nfs/dbraw/zinc/65/23/95/563652395.db2.gz GOVHFDLCXJNVFX-CQSZACIVSA-N 1 0 382.302 2.721 20 0 GFADRO Cc1ncsc1CN(C[C@H]1CC[NH2+]C1)C(=O)CSC[C@H]1CCCCO1 ZINC000435603143 563654152 /nfs/dbraw/zinc/65/41/52/563654152.db2.gz YZMZNLSBPTYEEL-JKSUJKDBSA-N 1 0 383.583 2.692 20 0 GFADRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)Nc1cc(Br)c(=O)n(C)c1 ZINC000435589663 563654368 /nfs/dbraw/zinc/65/43/68/563654368.db2.gz ROIOINBAOJIVQC-TXEJJXNPSA-N 1 0 385.306 2.532 20 0 GFADRO Cc1ncsc1CN(C[C@H]1CC[NH2+]C1)C(=O)CSc1ccc(O)cc1 ZINC000435595826 563654438 /nfs/dbraw/zinc/65/44/38/563654438.db2.gz VSAFITRMSVLRSU-AWEZNQCLSA-N 1 0 377.535 2.888 20 0 GFADRO CCN(CC(=O)N(C)Cc1cc(Br)cs1)[C@@H]1CCC[NH2+]CC1 ZINC000435622439 563655088 /nfs/dbraw/zinc/65/50/88/563655088.db2.gz DDTAVWHXSSUGHX-CQSZACIVSA-N 1 0 388.375 2.933 20 0 GFADRO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)Nc1cc(N(C)C)c(Br)cn1 ZINC000412393845 563656195 /nfs/dbraw/zinc/65/61/95/563656195.db2.gz ILIGXYJPFBRQQO-INIZCTEOSA-N 1 0 399.333 2.642 20 0 GFADRO C[C@@]1(c2ccc(Br)s2)NC(=O)N(CC[NH+]2CCCCC2)C1=O ZINC000435799138 563658914 /nfs/dbraw/zinc/65/89/14/563658914.db2.gz OTTKYXMOOCIPBN-HNNXBMFYSA-N 1 0 386.315 2.764 20 0 GFADRO C[C@@H](C[NH+]1CCOCC1)C(=O)NCc1cccc(Br)c1Cl ZINC000412484720 563659410 /nfs/dbraw/zinc/65/94/10/563659410.db2.gz DZSBQDVZJKPOPH-NSHDSACASA-N 1 0 375.694 2.687 20 0 GFADRO COC(=O)CC[C@H]([NH3+])C(=O)NCC1(c2ccc(Br)cc2)CCCC1 ZINC000288867003 563659961 /nfs/dbraw/zinc/65/99/61/563659961.db2.gz YHSLEZIMRXOXQA-HNNXBMFYSA-N 1 0 397.313 2.658 20 0 GFADRO O=C1N[C@H](CC(F)(F)F)C(=O)N1CC1CC[NH+](Cc2cccs2)CC1 ZINC000349401411 563663163 /nfs/dbraw/zinc/66/31/63/563663163.db2.gz WTFPESGEFIDBEB-CYBMUJFWSA-N 1 0 375.416 2.833 20 0 GFADRO C[C@H](NC(=O)NCC1([NH+](C)C)CCOCC1)c1ccc(Br)s1 ZINC000436145207 563665089 /nfs/dbraw/zinc/66/50/89/563665089.db2.gz GZWUVOOWBIKWCV-NSHDSACASA-N 1 0 390.347 2.982 20 0 GFADRO Brc1ccn2cc(C[NH2+]CCc3cn4c(n3)SCC4)nc2c1 ZINC000289467177 563675038 /nfs/dbraw/zinc/67/50/38/563675038.db2.gz ITECHUDUJVPFNF-UHFFFAOYSA-N 1 0 378.299 2.731 20 0 GFADRO COc1ccc(C[C@H](CO)C[NH2+]Cc2ncc(C(F)(F)F)s2)cc1O ZINC000289525843 563677312 /nfs/dbraw/zinc/67/73/12/563677312.db2.gz VTWITJRDQKNVOG-NSHDSACASA-N 1 0 376.400 2.817 20 0 GFADRO CN(C[C@@H]1CCCN(Cc2ccc(OC(F)F)c(F)c2)C1)S(C)(=O)=O ZINC000289530707 563677393 /nfs/dbraw/zinc/67/73/93/563677393.db2.gz PWXZIDRJOOZRSS-ZDUSSCGKSA-N 1 0 380.432 2.531 20 0 GFADRO c1ccc(C[N@H+]2CC[C@H](Sc3nnc(NC[C@H]4CCCO4)s3)C2)cc1 ZINC000412993406 563678541 /nfs/dbraw/zinc/67/85/41/563678541.db2.gz XWELNFLATMOERQ-CVEARBPZSA-N 1 0 376.551 3.496 20 0 GFADRO C[NH+](C)C1CCN(C(=O)Cc2noc(-c3sccc3Br)n2)CC1 ZINC000350917270 563678723 /nfs/dbraw/zinc/67/87/23/563678723.db2.gz UWSMJAQWDBHOSL-UHFFFAOYSA-N 1 0 399.314 2.656 20 0 GFADRO Cc1ccc(Br)c(CNC(=O)NC2CCN(CC[NH+](C)C)CC2)c1 ZINC000413096455 563682267 /nfs/dbraw/zinc/68/22/67/563682267.db2.gz ODQGEHZZKZHFKG-UHFFFAOYSA-N 1 0 397.361 2.583 20 0 GFADRO C[C@H]1[NH2+]CCC[C@H]1C(=O)NC1CCN(Cc2ccc(Br)cc2)CC1 ZINC000289715327 563684136 /nfs/dbraw/zinc/68/41/36/563684136.db2.gz FXVSCJCJGPZFGG-RDTXWAMCSA-N 1 0 394.357 2.918 20 0 GFADRO CC(C)n1cc(C[NH2+]CCCNC(=O)c2cccc(Br)c2)nn1 ZINC000289741164 563684599 /nfs/dbraw/zinc/68/45/99/563684599.db2.gz NIOAFPMBYXOGAT-UHFFFAOYSA-N 1 0 380.290 2.531 20 0 GFADRO Brc1ccn2cc(C[NH2+][C@H]3CCCN(c4ncccn4)C3)nc2c1 ZINC000289825508 563688175 /nfs/dbraw/zinc/68/81/75/563688175.db2.gz JKVOYEZNGCEJIL-AWEZNQCLSA-N 1 0 387.285 2.645 20 0 GFADRO C[C@@H]1C[N@H+](CCCNCc2nc3ccccn3c2Br)CCCO1 ZINC000289887890 563690250 /nfs/dbraw/zinc/69/02/50/563690250.db2.gz WXQUCLDRHQWEOV-CQSZACIVSA-N 1 0 381.318 2.687 20 0 GFADRO C[NH+](C)C[C@H](Cc1ccccc1)NS(=O)(=O)c1cnc2ccsc2c1 ZINC000437223037 563691242 /nfs/dbraw/zinc/69/12/42/563691242.db2.gz RRFOJEJFNZYVCO-HNNXBMFYSA-N 1 0 375.519 2.748 20 0 GFADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)c3cc(=O)[nH]c4c(Br)cccc34)[C@@H]2C1 ZINC000360023320 563691453 /nfs/dbraw/zinc/69/14/53/563691453.db2.gz YTEKSHPQRJXXSW-IAQYHMDHSA-N 1 0 390.281 2.869 20 0 GFADRO C[C@H](C(=O)N1CCCN(CC[NH+](C)C)CC1)c1ccc(Br)s1 ZINC000360491906 563692787 /nfs/dbraw/zinc/69/27/87/563692787.db2.gz ZXGFCGAZVFRWNT-ZDUSSCGKSA-N 1 0 388.375 2.710 20 0 GFADRO COC(=O)[C@H]1CN(c2ccnc3cc(F)c(Br)cc32)CC[N@H+](C)C1 ZINC000413502039 563695510 /nfs/dbraw/zinc/69/55/10/563695510.db2.gz PTIZMIVAOAZDFE-LLVKDONJSA-N 1 0 396.260 2.677 20 0 GFADRO O=C(C[N@@H+]1CCS[C@@H]2CCCC[C@H]21)N1CCN(Cc2ccsc2)CC1 ZINC000437507301 563696059 /nfs/dbraw/zinc/69/60/59/563696059.db2.gz LULHOFUACDCAES-QZTJIDSGSA-N 1 0 379.595 2.752 20 0 GFADRO COc1ccc(C(=O)N2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)cc1Br ZINC000437592545 563697322 /nfs/dbraw/zinc/69/73/22/563697322.db2.gz RVJIZEZYXMNKLZ-FRFSOERESA-N 1 0 397.313 2.781 20 0 GFADRO CN(C(=O)c1cc(Br)cn1C)C1CCN(c2cc[nH+]cc2)CC1 ZINC000361320413 563698648 /nfs/dbraw/zinc/69/86/48/563698648.db2.gz HOKKDKIYJWATDH-UHFFFAOYSA-N 1 0 377.286 2.924 20 0 GFADRO COC(=O)[C@@H](C)Oc1ccc(C[NH2+]CCCn2cc(Br)cn2)cc1 ZINC000290147079 563699227 /nfs/dbraw/zinc/69/92/27/563699227.db2.gz KWZZXYBADFNIKN-CYBMUJFWSA-N 1 0 396.285 2.766 20 0 GFADRO COc1ccc([C@H](C)[NH2+][C@@H]2CCN(C3CCOCC3)C2=O)cc1Br ZINC000361943527 563701836 /nfs/dbraw/zinc/70/18/36/563701836.db2.gz KPMJAXGRVJSCJE-BLLLJJGKSA-N 1 0 397.313 2.888 20 0 GFADRO CN(C)S(=O)(=O)CC[NH2+][C@H]1CCCc2nc(-c3ccccc3F)sc21 ZINC000290290009 563703776 /nfs/dbraw/zinc/70/37/76/563703776.db2.gz XWSMRLYLXQXWAG-AWEZNQCLSA-N 1 0 383.514 2.808 20 0 GFADRO OCC[N@H+](Cc1cnn(-c2ccc(Br)cc2)c1)C1CCOCC1 ZINC000438340190 563704381 /nfs/dbraw/zinc/70/43/81/563704381.db2.gz VWGQKMLOJOXYMN-UHFFFAOYSA-N 1 0 380.286 2.608 20 0 GFADRO CSCc1cccc(C[NH2+]Cc2cnn([C@]3(C)CCS(=O)(=O)C3)c2)c1 ZINC000438364270 563705249 /nfs/dbraw/zinc/70/52/49/563705249.db2.gz JMFZFNXTKWCZLE-GOSISDBHSA-N 1 0 379.551 2.570 20 0 GFADRO O=C(N[C@@H](CO)C[NH+]1CCCCC1)c1ccc(Br)c(Cl)c1F ZINC000413797569 563705833 /nfs/dbraw/zinc/70/58/33/563705833.db2.gz JBJWMMXPYLCDRY-SNVBAGLBSA-N 1 0 393.684 2.818 20 0 GFADRO CC[C@H](C(=O)N[C@@H](CO)c1ccc(Br)cc1C(F)(F)F)[NH+](C)C ZINC000413767431 563706051 /nfs/dbraw/zinc/70/60/51/563706051.db2.gz NFTTWAVLFQBXRO-QWHCGFSZSA-N 1 0 397.235 2.958 20 0 GFADRO O=C(CCCc1ccc(Br)s1)N[C@H](CO)C[NH+]1CCCCC1 ZINC000413808465 563706532 /nfs/dbraw/zinc/70/65/32/563706532.db2.gz RPPVZDIUVCTSSR-ZDUSSCGKSA-N 1 0 389.359 2.796 20 0 GFADRO CO[C@H](C(=O)Nc1cc(Br)ccc1N1CC[N@H+](C)C[C@@H]1C)C1CC1 ZINC000413843442 563707282 /nfs/dbraw/zinc/70/72/82/563707282.db2.gz JKUANAFYZLLWPK-SJCJKPOMSA-N 1 0 396.329 2.953 20 0 GFADRO CC[N@@H+]1CC[C@@H](NC(=O)N(CCOC)Cc2sccc2Br)C1 ZINC000413869424 563708174 /nfs/dbraw/zinc/70/81/74/563708174.db2.gz YTOVTLHMNUGLBI-GFCCVEGCSA-N 1 0 390.347 2.763 20 0 GFADRO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)C(=O)Nc1cccc(C2SCCS2)c1 ZINC000290416920 563709316 /nfs/dbraw/zinc/70/93/16/563709316.db2.gz UXSYUFINCAAJIA-CYBMUJFWSA-N 1 0 381.567 2.949 20 0 GFADRO C[NH+](C)CCn1ccc(NC(=O)NC2(c3ccc(Cl)c(Cl)c3)CC2)n1 ZINC000438703722 563709886 /nfs/dbraw/zinc/70/98/86/563709886.db2.gz GHAXWFPSHBEGHF-UHFFFAOYSA-N 1 0 382.295 3.562 20 0 GFADRO CCCC[N@H+](C)C[C@@H](C)NC(=O)C[C@](O)(c1nc(C)cs1)C(F)(F)F ZINC000290481048 563711479 /nfs/dbraw/zinc/71/14/79/563711479.db2.gz DTIHAIJHLIBSDZ-ABAIWWIYSA-N 1 0 381.464 2.828 20 0 GFADRO COC(=O)[C@H]1CC12CC[NH+](Cc1cn3ccc(Br)cc3n1)CC2 ZINC000290508567 563711859 /nfs/dbraw/zinc/71/18/59/563711859.db2.gz TUVCKGYIIHNQBC-CQSZACIVSA-N 1 0 378.270 2.872 20 0 GFADRO CC(C)[N@H+](C)CC(=O)Nc1cc(Br)c(F)cc1N1CCOCC1 ZINC000414004906 563714368 /nfs/dbraw/zinc/71/43/68/563714368.db2.gz KOJDWWCCRLOPSO-UHFFFAOYSA-N 1 0 388.281 2.704 20 0 GFADRO CNC(=O)[C@@H](C)C[N@H+](C)CC(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000363124729 563715036 /nfs/dbraw/zinc/71/50/36/563715036.db2.gz ZTHYBNZKDGLVBD-BLLLJJGKSA-N 1 0 386.323 2.971 20 0 GFADRO CC[NH+](CC)CC(=O)Nc1cc(Br)c(F)cc1N1CCOCC1 ZINC000414010158 563715144 /nfs/dbraw/zinc/71/51/44/563715144.db2.gz YGVQGQWZAOUEDH-UHFFFAOYSA-N 1 0 388.281 2.705 20 0 GFADRO C[NH+](C)C[C@@H]1CCN(C(=O)c2c(O)cnc3c(Br)cccc32)C1 ZINC000290606190 563715412 /nfs/dbraw/zinc/71/54/12/563715412.db2.gz DTKRADGTSHYUMS-NSHDSACASA-N 1 0 378.270 2.727 20 0 GFADRO CC(C)Cn1cnc(S(=O)(=O)NC[C@@H]2CC[N@H+](C)[C@H]2c2cccs2)c1 ZINC000363157445 563715869 /nfs/dbraw/zinc/71/58/69/563715869.db2.gz HLUOSCLYYNYGLH-WMLDXEAASA-N 1 0 382.555 2.572 20 0 GFADRO CC[NH+](CC)CC[C@@H](CO)NC(=O)Nc1cc(F)c(Br)cc1F ZINC000439029022 563716060 /nfs/dbraw/zinc/71/60/60/563716060.db2.gz PSBKVYXMKOXSNT-JTQLQIEISA-N 1 0 394.260 2.942 20 0 GFADRO O[C@H](COc1ccc(Br)cc1)C[N@@H+]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000439140264 563718557 /nfs/dbraw/zinc/71/85/57/563718557.db2.gz HOCHWTWPEJYWHR-UXLLHSPISA-N 1 0 384.314 2.937 20 0 GFADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@@H]1COc2ccc(F)cc2C1 ZINC000414133841 563720126 /nfs/dbraw/zinc/72/01/26/563720126.db2.gz DCHLHSMYWXZPOP-ABAIWWIYSA-N 1 0 381.245 2.732 20 0 GFADRO Cc1c([C@@H](C)[NH2+]CCc2cn(C)cn2)nnn1-c1cccc(Br)c1 ZINC000414129418 563720146 /nfs/dbraw/zinc/72/01/46/563720146.db2.gz UYGDYXSDNZQVIC-GFCCVEGCSA-N 1 0 389.301 2.965 20 0 GFADRO O=C(Cc1ccccc1Br)NC[C@H]1CCC[C@H]1[NH+]1CCOCC1 ZINC000363363220 563720595 /nfs/dbraw/zinc/72/05/95/563720595.db2.gz UJRDWXOIQJHYOR-NVXWUHKLSA-N 1 0 381.314 2.609 20 0 GFADRO Cc1ccc(Br)c(S(=O)(=O)NCC[NH2+][C@H](C)[C@@H]2C[C@@H]2C)c1 ZINC000414169604 563721896 /nfs/dbraw/zinc/72/18/96/563721896.db2.gz VPBGXLZMRDDZKJ-YNEHKIRRSA-N 1 0 375.332 2.670 20 0 GFADRO CN(C)[C@H](C[NH2+]Cc1ccc(S(N)(=O)=O)c(Cl)c1)c1cccc(F)c1 ZINC000414241796 563723278 /nfs/dbraw/zinc/72/32/78/563723278.db2.gz MBFFVQSNWQDWKV-MRXNPFEDSA-N 1 0 385.892 2.519 20 0 GFADRO O[C@@H](COc1cc(F)cc(Br)c1)C[NH+]1CCC(c2c[nH]cn2)CC1 ZINC000439428433 563723818 /nfs/dbraw/zinc/72/38/18/563723818.db2.gz FZILYYFBLNNZEX-OAHLLOKOSA-N 1 0 398.276 2.931 20 0 GFADRO CC(C)(O)C[N@H+](C[C@@H](O)COc1cc(F)cc(Br)c1)C1CC1 ZINC000439426319 563723917 /nfs/dbraw/zinc/72/39/17/563723917.db2.gz BATZWTWLHURRKR-CQSZACIVSA-N 1 0 376.266 2.563 20 0 GFADRO C[C@@H]1C[C@H]([N@H+](C)C[C@H](O)COc2cc(F)cc(Br)c2)CCN1C ZINC000439438594 563724692 /nfs/dbraw/zinc/72/46/92/563724692.db2.gz KNCBMCXFJBNYQJ-WQVCFCJDSA-N 1 0 389.309 2.742 20 0 GFADRO C[N@H+](C[C@@H](O)COc1cc(F)cc(Br)c1)C[C@H]1CCCOC1 ZINC000439437851 563724749 /nfs/dbraw/zinc/72/47/49/563724749.db2.gz KSJAWKYKWFHAJV-IUODEOHRSA-N 1 0 376.266 2.686 20 0 GFADRO CN(C)c1ncc(C[NH2+]C[C@@H]2CCN(c3cccc(Br)c3)C2)n1C ZINC000414299490 563725367 /nfs/dbraw/zinc/72/53/67/563725367.db2.gz HXPFVEWCNIILQV-AWEZNQCLSA-N 1 0 392.345 2.865 20 0 GFADRO Cc1c([C@H](C)[NH2+]C[C@H](O)COc2cc(F)cc(Br)c2)cnn1C ZINC000439454500 563725384 /nfs/dbraw/zinc/72/53/84/563725384.db2.gz RRHXRHCONJDAIE-HZMBPMFUSA-N 1 0 386.265 2.721 20 0 GFADRO COC(=O)CC[N@H+](C[C@H](O)COc1cc(F)cc(Br)c1)C(C)C ZINC000439445887 563725933 /nfs/dbraw/zinc/72/59/33/563725933.db2.gz YRHMCLHCDRQDBA-AWEZNQCLSA-N 1 0 392.265 2.601 20 0 GFADRO C[C@@H](C[NH2+]Cc1ccc(S(N)(=O)=O)c(Cl)c1)COCc1ccccc1 ZINC000414325766 563726386 /nfs/dbraw/zinc/72/63/86/563726386.db2.gz XQPLCRUMGSUFCG-AWEZNQCLSA-N 1 0 382.913 2.930 20 0 GFADRO CC[C@@H]1C[N@H+](CC(=O)N(C)CCOc2ccc(Br)cc2)CCCO1 ZINC000439474206 563726592 /nfs/dbraw/zinc/72/65/92/563726592.db2.gz XETSLTIORDDCDC-MRXNPFEDSA-N 1 0 399.329 2.787 20 0 GFADRO COc1cc(OC)c(CC[NH2+]Cc2ccc(S(C)(=O)=O)s2)c(OC)c1 ZINC000414327064 563727058 /nfs/dbraw/zinc/72/70/58/563727058.db2.gz BBUUJPVEKMVAEW-UHFFFAOYSA-N 1 0 385.507 2.510 20 0 GFADRO Cc1occc1C[NH2+]C[C@H](O)COc1ccc(I)cc1 ZINC000414343127 563727575 /nfs/dbraw/zinc/72/75/75/563727575.db2.gz QIVGPXRLAHGFJE-AWEZNQCLSA-N 1 0 387.217 2.722 20 0 GFADRO CC[C@H]([NH2+]CCCCn1cc(C(N)=O)nn1)c1ccccc1Br ZINC000414347273 563728266 /nfs/dbraw/zinc/72/82/66/563728266.db2.gz HHDASGSIUKMTAQ-AWEZNQCLSA-N 1 0 380.290 2.661 20 0 GFADRO C[C@H](CC(=O)N(C)C)[NH2+]C1CCN(Cc2cccc(Br)c2)CC1 ZINC000414352665 563728403 /nfs/dbraw/zinc/72/84/03/563728403.db2.gz QABMZZHGKQFJMQ-CQSZACIVSA-N 1 0 382.346 2.870 20 0 GFADRO COc1ccccc1O[C@@H](C)C[NH2+]Cc1ccc(S(N)(=O)=O)c(Cl)c1 ZINC000414358352 563729000 /nfs/dbraw/zinc/72/90/00/563729000.db2.gz LKKRYKHQRDLETG-LBPRGKRZSA-N 1 0 384.885 2.553 20 0 GFADRO OC[C@@H](C[NH2+]Cc1c[nH]c2nccnc12)Cc1cccc(Br)c1 ZINC000290999759 563729442 /nfs/dbraw/zinc/72/94/42/563729442.db2.gz ASQLOMGIHKBZOH-CYBMUJFWSA-N 1 0 375.270 2.661 20 0 GFADRO O=C(C[N@@H+]1CCS[C@@H]2CCCC[C@@H]21)N1CCN(Cc2cccs2)CC1 ZINC000439616625 563729643 /nfs/dbraw/zinc/72/96/43/563729643.db2.gz SKPWFSFXLKAZQN-ZWKOTPCHSA-N 1 0 379.595 2.752 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CC[NH2+]Cc1cnc(N(C)C)n1C ZINC000414396883 563733798 /nfs/dbraw/zinc/73/37/98/563733798.db2.gz SRHHAPOADFILGE-UHFFFAOYSA-N 1 0 394.317 2.675 20 0 GFADRO C[C@H](C[S@@](C)=O)[NH2+][C@H]1CCCOc2ccc(I)cc21 ZINC000363808948 563734218 /nfs/dbraw/zinc/73/42/18/563734218.db2.gz APRGCRAHQDCCQE-KPGGICDASA-N 1 0 393.290 2.862 20 0 GFADRO COC(=O)c1cc(C[NH2+][C@@H](CO)c2ccc(Br)cc2)n(C)c1C ZINC000291200031 563734389 /nfs/dbraw/zinc/73/43/89/563734389.db2.gz MXVYQHPTJLMXCG-INIZCTEOSA-N 1 0 381.270 2.706 20 0 GFADRO COC(=O)C[C@H](NC(=O)[C@@H]1C[NH+]2CCC1CC2)c1ccc(Br)cc1 ZINC000363836700 563734558 /nfs/dbraw/zinc/73/45/58/563734558.db2.gz VMLXJATZVBSERQ-CVEARBPZSA-N 1 0 395.297 2.511 20 0 GFADRO C[C@@H](C[NH+]1CCCCC1)NS(=O)(=O)c1cc(Br)ccc1F ZINC000440067059 563735136 /nfs/dbraw/zinc/73/51/36/563735136.db2.gz DUDDQDIFZGLTSG-NSHDSACASA-N 1 0 379.295 2.741 20 0 GFADRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NS(=O)(=O)c1cccc(Br)c1 ZINC000440092539 563736069 /nfs/dbraw/zinc/73/60/69/563736069.db2.gz PFXFMRREFNQNKP-STQMWFEESA-N 1 0 375.332 2.848 20 0 GFADRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NS(=O)(=O)c1ccccc1OC(F)(F)F ZINC000440085427 563736371 /nfs/dbraw/zinc/73/63/71/563736371.db2.gz APJVBKZEBUTKBQ-STQMWFEESA-N 1 0 380.432 2.984 20 0 GFADRO C[C@H]([NH3+])CCNS(=O)(=O)c1csc(-c2cccc(Br)c2)n1 ZINC000440345187 563739167 /nfs/dbraw/zinc/73/91/67/563739167.db2.gz YGFRSLQSMHEVEB-VIFPVBQESA-N 1 0 390.328 2.588 20 0 GFADRO C[C@H]1CN(C(=O)C[NH2+]C(C)(C)Cc2ccc(Br)cc2)C[C@H](C)O1 ZINC000440330253 563739427 /nfs/dbraw/zinc/73/94/27/563739427.db2.gz XSZAVCOBWIXMFK-KBPBESRZSA-N 1 0 383.330 2.996 20 0 GFADRO O=S(=O)(c1csc(-c2ccc(Cl)cc2)n1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000440401974 563741379 /nfs/dbraw/zinc/74/13/79/563741379.db2.gz AETMJGTXZSLZMA-KGLIPLIRSA-N 1 0 383.926 2.979 20 0 GFADRO C[NH+](C)CCN(C1CC1)S(=O)(=O)c1cc(Br)ccc1Cl ZINC000414468104 563742342 /nfs/dbraw/zinc/74/23/42/563742342.db2.gz XTCMXELAJYXTOD-UHFFFAOYSA-N 1 0 381.723 2.817 20 0 GFADRO Cn1c(CN2CC[NH+]([C@@H]3CCSC3)CC2)nnc1-c1ccc(Cl)cc1 ZINC000364195439 563745566 /nfs/dbraw/zinc/74/55/66/563745566.db2.gz CFTVUIOGVQKWAK-MRXNPFEDSA-N 1 0 377.945 2.759 20 0 GFADRO COc1ccc(C[NH2+]CC2(CS(C)(=O)=O)CCC2)c(Br)c1 ZINC000414556153 563747138 /nfs/dbraw/zinc/74/71/38/563747138.db2.gz NPZKTQYLBCZHME-UHFFFAOYSA-N 1 0 376.316 2.762 20 0 GFADRO CC(C)(CN1CCOCC1)[NH2+]CC1=Cc2cc(Br)ccc2OC1 ZINC000414566030 563747193 /nfs/dbraw/zinc/74/71/93/563747193.db2.gz WKJXARBKWYVGLD-UHFFFAOYSA-N 1 0 381.314 2.925 20 0 GFADRO CCn1ccnc1C(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000291571971 563747955 /nfs/dbraw/zinc/74/79/55/563747955.db2.gz SZSKYZXCHFYVGI-UHFFFAOYSA-N 1 0 379.302 2.870 20 0 GFADRO CCC(CC)(C[NH3+])NS(=O)(=O)c1cc(Cl)ccc1OCCCOC ZINC000440739638 563749085 /nfs/dbraw/zinc/74/90/85/563749085.db2.gz XILATEPLKPQGLI-UHFFFAOYSA-N 1 0 378.922 2.551 20 0 GFADRO CC[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCCN2C(=O)c2ccc(Cl)s2)C1 ZINC000364298975 563749180 /nfs/dbraw/zinc/74/91/80/563749180.db2.gz XZOFVRZFQPXEKZ-ZIAGYGMSSA-N 1 0 383.945 2.806 20 0 GFADRO C[C@@H](CC(=O)NC[C@@](C)(O)C[NH+](C)C)c1ccc(F)c(Br)c1 ZINC000291599342 563749562 /nfs/dbraw/zinc/74/95/62/563749562.db2.gz BTIMMLFDVLYOFH-MEDUHNTESA-N 1 0 375.282 2.511 20 0 GFADRO COCCCOc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000440800597 563750428 /nfs/dbraw/zinc/75/04/28/563750428.db2.gz NBYWLLUWMYLMOU-CQSZACIVSA-N 1 0 390.933 2.505 20 0 GFADRO Cc1cc(I)ccc1NC(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000414681037 563750461 /nfs/dbraw/zinc/75/04/61/563750461.db2.gz NZGOCSZVTHPNJS-RYUDHWBXSA-N 1 0 385.249 2.673 20 0 GFADRO COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000440812773 563750916 /nfs/dbraw/zinc/75/09/16/563750916.db2.gz WNKPJSSEOWSPNQ-KGLIPLIRSA-N 1 0 390.933 2.503 20 0 GFADRO CCOc1ccc(S(=O)(=O)N2CCC[C@@H](CC[NH3+])C2)cc1Br ZINC000440806799 563751063 /nfs/dbraw/zinc/75/10/63/563751063.db2.gz SIMJWWPWYBGSOJ-LBPRGKRZSA-N 1 0 391.331 2.597 20 0 GFADRO O=C(Nc1cccc(I)c1)N1CCC2(C1)CC[NH2+]CC2 ZINC000414705050 563751094 /nfs/dbraw/zinc/75/10/94/563751094.db2.gz ZYUVJGUKDZYVIC-UHFFFAOYSA-N 1 0 385.249 2.899 20 0 GFADRO COc1ccc([C@H]2CC[NH2+]C[C@@H]2NS(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000440856986 563752619 /nfs/dbraw/zinc/75/26/19/563752619.db2.gz RULLBVACMFGXNJ-MSOLQXFVSA-N 1 0 380.897 2.773 20 0 GFADRO COCC[NH2+]CCNCc1c(C)nn(-c2ccc(Br)cc2)c1C ZINC000414893529 563753351 /nfs/dbraw/zinc/75/33/51/563753351.db2.gz YOBAHBJMSFUHJO-UHFFFAOYSA-N 1 0 381.318 2.577 20 0 GFADRO CCOC(=O)COc1c(Br)cc(C)cc1CN[C@H]1CC[NH2+]C[C@H]1C ZINC000414930895 563754569 /nfs/dbraw/zinc/75/45/69/563754569.db2.gz BLCLRBZLTPPLGS-CJNGLKHVSA-N 1 0 399.329 2.787 20 0 GFADRO C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+]1CC[C@H](n2cccn2)C1 ZINC000291724374 563755767 /nfs/dbraw/zinc/75/57/67/563755767.db2.gz JFSSNTUSFQREJV-PBHICJAKSA-N 1 0 391.313 2.940 20 0 GFADRO COc1cc(Br)c(NC(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)cc1OC ZINC000414995232 563756012 /nfs/dbraw/zinc/75/60/12/563756012.db2.gz NJPLNAZBZHYRFF-MNOVXSKESA-N 1 0 384.274 2.825 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1Br ZINC000364516790 563756166 /nfs/dbraw/zinc/75/61/66/563756166.db2.gz GWBSDJWKKZYGTP-UONOGXRCSA-N 1 0 394.313 2.747 20 0 GFADRO [NH3+][C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)c1nn(-c2ccc(F)cc2)cc1Br ZINC000364564261 563757612 /nfs/dbraw/zinc/75/76/12/563757612.db2.gz TWNOAHSSZJYTDF-DEZZGGKRSA-N 1 0 393.260 2.868 20 0 GFADRO O=C(c1cc(Br)c2c(c1)OCCO2)N1CCCC2(CC[NH2+]CC2)C1 ZINC000364562243 563757769 /nfs/dbraw/zinc/75/77/69/563757769.db2.gz QHRIJSGZBBLBCQ-UHFFFAOYSA-N 1 0 395.297 2.826 20 0 GFADRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)Nc1cc(F)c(I)c(F)c1 ZINC000415066747 563757948 /nfs/dbraw/zinc/75/79/48/563757948.db2.gz ATLAFXATPAEIGK-WKEGUHRASA-N 1 0 381.164 2.523 20 0 GFADRO Cc1c(Br)cccc1NC(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000415097931 563758534 /nfs/dbraw/zinc/75/85/34/563758534.db2.gz UMKKUBUPAAJUJW-CYBMUJFWSA-N 1 0 397.317 2.609 20 0 GFADRO [NH3+][C@H]1CCC[C@@H](NC(=O)Nc2cc(F)c(I)c(F)c2)C1 ZINC000415119669 563759423 /nfs/dbraw/zinc/75/94/23/563759423.db2.gz KRRLKJRWUMATDH-JGVFFNPUSA-N 1 0 395.191 2.961 20 0 GFADRO C[C@@H]1CCN(Cc2ccc(Br)cc2N2CCOCC2)C[C@@H]1C[NH3+] ZINC000415118792 563759784 /nfs/dbraw/zinc/75/97/84/563759784.db2.gz DZRXDXOTXVWFKE-ZBFHGGJFSA-N 1 0 382.346 2.702 20 0 GFADRO CN(C(=O)c1ccn(-c2cccc(Br)c2)n1)[C@@H]1CCC[NH2+]CC1 ZINC000364640751 563760262 /nfs/dbraw/zinc/76/02/62/563760262.db2.gz JPUAKALRMJKGHA-CQSZACIVSA-N 1 0 377.286 2.849 20 0 GFADRO C[NH2+][C@H]1CCN(C(=O)Nc2cc(Br)cnc2OCC(F)(F)F)C1 ZINC000415182434 563761912 /nfs/dbraw/zinc/76/19/12/563761912.db2.gz YYPOMOKSUJWUEL-VIFPVBQESA-N 1 0 397.195 2.611 20 0 GFADRO CC[NH2+][C@H](C)CNC(=O)Nc1cc(Br)cnc1OCC(F)(F)F ZINC000415182854 563761922 /nfs/dbraw/zinc/76/19/22/563761922.db2.gz ZDMUFWGKHPGEJJ-MRVPVSSYSA-N 1 0 399.211 2.905 20 0 GFADRO C[C@H](CNC(=O)c1nc(C2CC2)ncc1Br)C[NH+]1CCCCC1 ZINC000291860660 563762114 /nfs/dbraw/zinc/76/21/14/563762114.db2.gz VTGWKCJIKPUHMO-GFCCVEGCSA-N 1 0 381.318 2.968 20 0 GFADRO Cc1nn(-c2ccc(Cl)c(Cl)c2)c(NC(=O)N(C)C[C@H](O)C[NH3+])c1C ZINC000415194820 563762237 /nfs/dbraw/zinc/76/22/37/563762237.db2.gz NIWVPKSHAJYOCQ-GFCCVEGCSA-N 1 0 386.283 2.579 20 0 GFADRO C[N@@H+]1CCCC12CCN([C@@H](C(N)=O)c1ccc(Br)cc1F)CC2 ZINC000364721327 563762342 /nfs/dbraw/zinc/76/23/42/563762342.db2.gz JXYGRVASZNRKHL-OAHLLOKOSA-N 1 0 384.293 2.675 20 0 GFADRO C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)Nc1c(F)cc(Br)cc1F ZINC000415205763 563762490 /nfs/dbraw/zinc/76/24/90/563762490.db2.gz BDIDMQMNIMVUCC-HQJQHLMTSA-N 1 0 378.217 2.962 20 0 GFADRO [NH3+]Cc1ccc(NC(=O)C(=O)N[C@@H]2C[C@H]2c2ccc(Br)s2)cc1 ZINC000415207225 563762587 /nfs/dbraw/zinc/76/25/87/563762587.db2.gz UJEKGPVVBZZOTL-VXGBXAGGSA-N 1 0 394.294 2.580 20 0 GFADRO [NH3+]C[C@@H]1CC[C@H](NC(=O)Nc2cc(F)c(F)cc2I)C1 ZINC000415222901 563763159 /nfs/dbraw/zinc/76/31/59/563763159.db2.gz HCYCFBPOQBSBNB-SFYZADRCSA-N 1 0 395.191 2.818 20 0 GFADRO O=C(Nc1ccc2c(c1)C[NH2+]CC2)C(=O)N[C@@H]1CCc2sc(Cl)cc21 ZINC000415245576 563763467 /nfs/dbraw/zinc/76/34/67/563763467.db2.gz ZVRIUYIIHBBKAO-CQSZACIVSA-N 1 0 375.881 2.789 20 0 GFADRO O=C(Nc1ccc(F)cc1I)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000415254191 563764100 /nfs/dbraw/zinc/76/41/00/563764100.db2.gz RYOMPUDVGQFZOK-MNOVXSKESA-N 1 0 389.212 2.789 20 0 GFADRO Cc1ccc(F)c(Br)c1NC(=O)C(=O)NCC1([NH3+])CCCCC1 ZINC000415276095 563764720 /nfs/dbraw/zinc/76/47/20/563764720.db2.gz CEWADXWODCTCGI-UHFFFAOYSA-N 1 0 386.265 2.613 20 0 GFADRO COc1ccc(CNC(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)cc1Br ZINC000291915784 563764870 /nfs/dbraw/zinc/76/48/70/563764870.db2.gz RBRGBNNUIXRLKD-KRWDZBQOSA-N 1 0 382.302 2.695 20 0 GFADRO COc1sc(CN2CCC[N@H+](CC(C)(C)O)CC2)cc1Br ZINC000364841865 563765753 /nfs/dbraw/zinc/76/57/53/563765753.db2.gz HTQCLHIIFDZODZ-UHFFFAOYSA-N 1 0 377.348 2.798 20 0 GFADRO [NH3+]CCCCNC(=O)Nc1cccc(Oc2ncc(Br)cn2)c1 ZINC000415297281 563766235 /nfs/dbraw/zinc/76/62/35/563766235.db2.gz DROKDEUQSMJUQA-UHFFFAOYSA-N 1 0 380.246 2.892 20 0 GFADRO CC(C)c1cc(Br)ccc1NC(=O)C(=O)N(C)C1CC[NH2+]CC1 ZINC000415324245 563766630 /nfs/dbraw/zinc/76/66/30/563766630.db2.gz JUMCTDDTASMJAR-UHFFFAOYSA-N 1 0 382.302 2.721 20 0 GFADRO CC(C)(CC(N)=O)[NH2+]CC(=O)N1CCc2sccc2[C@H]1c1cccs1 ZINC000364881938 563766932 /nfs/dbraw/zinc/76/69/32/563766932.db2.gz OWDIGVAUSXBAKC-KRWDZBQOSA-N 1 0 377.535 2.527 20 0 GFADRO C[C@@H](CO)[N@@H+]1CCCN(C(=O)CCCOc2ccccc2Br)CC1 ZINC000364920710 563768599 /nfs/dbraw/zinc/76/85/99/563768599.db2.gz GWHXHJHXPRQNJZ-HNNXBMFYSA-N 1 0 399.329 2.523 20 0 GFADRO CCOC(=O)c1cc(Br)ccc1NC(=O)N[C@](C)(C[NH3+])C1CC1 ZINC000415349225 563768691 /nfs/dbraw/zinc/76/86/91/563768691.db2.gz LLCOLCMTMVQJPH-MRXNPFEDSA-N 1 0 384.274 2.875 20 0 GFADRO C[C@H]1C[C@H](NC(=O)C(=O)Nc2ccc(Br)cc2Cl)CC[N@@H+]1C ZINC000442156488 563768736 /nfs/dbraw/zinc/76/87/36/563768736.db2.gz XCNHVQAHHRFYBC-GXSJLCMTSA-N 1 0 388.693 2.640 20 0 GFADRO C[C@H](NC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1Cl)[C@H]1CCC[NH2+]C1 ZINC000415348077 563768797 /nfs/dbraw/zinc/76/87/97/563768797.db2.gz KCQRUYHUDPWCGE-UWVGGRQHSA-N 1 0 377.794 2.802 20 0 GFADRO C[C@@H](C(=O)NC1CCCC1)[NH+]1CCC(Cn2cc(Br)cn2)CC1 ZINC000364910015 563768825 /nfs/dbraw/zinc/76/88/25/563768825.db2.gz FOHLHUJJKTWWPG-ZDUSSCGKSA-N 1 0 383.334 2.805 20 0 GFADRO CCOC(=O)c1cc(Br)ccc1NC(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000415351311 563769526 /nfs/dbraw/zinc/76/95/26/563769526.db2.gz NOYAHCWUJWBNFD-NEPJUHHUSA-N 1 0 396.285 2.699 20 0 GFADRO C[C@H](NC(=O)C(=O)Nc1cccc(Br)c1Cl)[C@@H]1CCC[NH2+]C1 ZINC000415349947 563769617 /nfs/dbraw/zinc/76/96/17/563769617.db2.gz HEOMEVJTIIOUPE-VHSXEESVSA-N 1 0 388.693 2.545 20 0 GFADRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)Nc1cnn(-c2ccccc2Br)c1 ZINC000415354594 563770096 /nfs/dbraw/zinc/77/00/96/563770096.db2.gz NQONLZUTHJPORY-NEPJUHHUSA-N 1 0 378.274 2.836 20 0 GFADRO C[NH2+]CCCNC(=O)Nc1c(-c2ccc(Br)cc2)c(C)nn1C ZINC000415359331 563770594 /nfs/dbraw/zinc/77/05/94/563770594.db2.gz KGLDKEKJRQBNRS-UHFFFAOYSA-N 1 0 380.290 2.889 20 0 GFADRO C[C@H]1CN(C(=O)Nc2cccc(F)c2I)CC[C@H]1[NH3+] ZINC000415359232 563770782 /nfs/dbraw/zinc/77/07/82/563770782.db2.gz KMYSSPZBROQPQN-WCBMZHEXSA-N 1 0 377.201 2.631 20 0 GFADRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)Nc1cccc(F)c1I ZINC000415364259 563770829 /nfs/dbraw/zinc/77/08/29/563770829.db2.gz RTDLXAYJGDBXAG-LDYMZIIASA-N 1 0 377.201 2.550 20 0 GFADRO Cc1csc(Sc2ccc(NC(=O)C(=O)N3CC[C@H]([NH3+])C3)cc2Cl)n1 ZINC000415367387 563771274 /nfs/dbraw/zinc/77/12/74/563771274.db2.gz HTEQLKTWKPODJW-JTQLQIEISA-N 1 0 396.925 2.754 20 0 GFADRO CN(C[C@H](O)C[NH3+])C(=O)Nc1cc(Cl)c(OCC(F)(F)F)c(Cl)c1 ZINC000415368379 563771482 /nfs/dbraw/zinc/77/14/82/563771482.db2.gz AJZLHKOQFUAZEV-MRVPVSSYSA-N 1 0 390.189 2.718 20 0 GFADRO CCCN(C(=O)C(=O)Nc1cc(Cl)c(OCC)c(Cl)c1)[C@@H]1CC[NH2+]C1 ZINC000415382774 563771801 /nfs/dbraw/zinc/77/18/01/563771801.db2.gz AXKVWAHWGDZLPA-GFCCVEGCSA-N 1 0 388.295 2.931 20 0 GFADRO Cc1cc(F)c(NC(=O)N[C@@H]2CCC[NH2+]C2)c(I)c1 ZINC000415388635 563772006 /nfs/dbraw/zinc/77/20/06/563772006.db2.gz ICIJBNNHJSHJDN-SECBINFHSA-N 1 0 377.201 2.612 20 0 GFADRO CCCN(C(=O)C(=O)Nc1cc(Cl)ccc1Br)[C@H]1CC[NH2+]C1 ZINC000415388970 563772029 /nfs/dbraw/zinc/77/20/29/563772029.db2.gz FMAAZWIVOPUTGJ-NSHDSACASA-N 1 0 388.693 2.642 20 0 GFADRO C[C@H]([NH3+])C1CCN(C(=O)C(=O)Nc2cc(Cl)ccc2C(F)(F)F)CC1 ZINC000415390974 563772089 /nfs/dbraw/zinc/77/20/89/563772089.db2.gz VNOMBMYOIFWOTP-VIFPVBQESA-N 1 0 377.794 2.883 20 0 GFADRO Cc1cc(F)c(NC(=O)NC[C@H]([NH3+])C2CC2)c(I)c1 ZINC000415383796 563772133 /nfs/dbraw/zinc/77/21/33/563772133.db2.gz CDRFIGASKDZTDH-NSHDSACASA-N 1 0 377.201 2.598 20 0 GFADRO Cc1cc(F)c(Br)cc1NC(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000365072488 563772726 /nfs/dbraw/zinc/77/27/26/563772726.db2.gz PGOQXXHGJMXVSS-NEPJUHHUSA-N 1 0 386.265 2.881 20 0 GFADRO C[NH2+]CC1CCN(C(=O)C(=O)Nc2cc(Cl)cc(C(F)(F)F)c2)CC1 ZINC000415402414 563773220 /nfs/dbraw/zinc/77/32/20/563773220.db2.gz QWHTUJKZTYUFIK-UHFFFAOYSA-N 1 0 377.794 2.755 20 0 GFADRO Cc1cc(F)c(NC(=O)N[C@@H]2CC[C@H](C[NH3+])C2)c(I)c1 ZINC000415414296 563773599 /nfs/dbraw/zinc/77/35/99/563773599.db2.gz ZRKVTBCRYNWTEK-VHSXEESVSA-N 1 0 391.228 2.988 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000415410237 563773642 /nfs/dbraw/zinc/77/36/42/563773642.db2.gz JTIQQRBEODZOIY-CYBMUJFWSA-N 1 0 382.302 2.510 20 0 GFADRO COC(=O)c1cc(NC(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)ccc1Br ZINC000415412480 563773697 /nfs/dbraw/zinc/77/36/97/563773697.db2.gz XKYIOFAHLIDYSD-WDEREUQCSA-N 1 0 384.274 2.875 20 0 GFADRO C[NH2+]C[C@H](C)CNC(=O)C(=O)Nc1cc(C)ccc1SCC(F)(F)F ZINC000415417595 563774175 /nfs/dbraw/zinc/77/41/75/563774175.db2.gz QEGCEERAZBBQHI-NSHDSACASA-N 1 0 377.432 2.560 20 0 GFADRO CS(=O)(=O)c1ccc(NC(=O)NCCC[C@@H]2CCC[NH2+]2)cc1C(F)F ZINC000415428968 563775060 /nfs/dbraw/zinc/77/50/60/563775060.db2.gz HUCNJDPISZPDCS-NSHDSACASA-N 1 0 375.441 2.681 20 0 GFADRO C[C@@H]([NH2+][C@H](CO)c1ccc(Br)cc1)C(=O)NCCc1cccs1 ZINC000292128759 563775424 /nfs/dbraw/zinc/77/54/24/563775424.db2.gz IMXIMJOUNMVCET-MLGOLLRUSA-N 1 0 397.338 2.881 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)Nc2cc(Cl)ccc2Br)C1 ZINC000415453231 563776921 /nfs/dbraw/zinc/77/69/21/563776921.db2.gz UQEPDPCHXAJYFM-VHSXEESVSA-N 1 0 388.693 2.627 20 0 GFADRO C[NH2+]C[C@H]1CCCN1C(=O)Nc1cc(F)c(Br)cc1C(=O)OC ZINC000415462774 563777138 /nfs/dbraw/zinc/77/71/38/563777138.db2.gz AQKAITGQBVKPBA-SECBINFHSA-N 1 0 388.237 2.591 20 0 GFADRO CCOCCOc1ccc(Br)cc1NC(=O)N[C@@H](C[NH3+])C1CC1 ZINC000415471606 563777593 /nfs/dbraw/zinc/77/75/93/563777593.db2.gz ZWKZCWASHLQBBL-AWEZNQCLSA-N 1 0 386.290 2.723 20 0 GFADRO CCOCCOc1ccc(Br)cc1NC(=O)N1CC[C@H]([NH2+]C)C1 ZINC000415469491 563777612 /nfs/dbraw/zinc/77/76/12/563777612.db2.gz WWOKBHRXKDBPHZ-ZDUSSCGKSA-N 1 0 386.290 2.690 20 0 GFADRO Cc1cc(Cl)cc(NC(=O)C(=O)N(C)CC(C)(C)C[NH3+])c1Br ZINC000415478815 563778203 /nfs/dbraw/zinc/77/82/03/563778203.db2.gz DRPFQYFKSFCLRC-UHFFFAOYSA-N 1 0 390.709 2.793 20 0 GFADRO [NH3+][C@H]1CCC[C@H](CNC(=O)Nc2cc(Br)cnc2-n2cccn2)C1 ZINC000415476307 563778362 /nfs/dbraw/zinc/77/83/62/563778362.db2.gz BNPUAJNARLMPCS-AAEUAGOBSA-N 1 0 393.289 2.669 20 0 GFADRO COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000365271071 563779309 /nfs/dbraw/zinc/77/93/09/563779309.db2.gz XSMVMRIBVORQNS-NSHDSACASA-N 1 0 386.279 2.637 20 0 GFADRO CCCC[C@@H](C[NH3+])NC(=O)C(=O)Nc1cccc2cncc(Br)c21 ZINC000415508630 563780430 /nfs/dbraw/zinc/78/04/30/563780430.db2.gz YDIRWTZELIYURZ-LBPRGKRZSA-N 1 0 393.285 2.570 20 0 GFADRO C[NH+](C)[C@H]1CCCN(C(=O)/C=C/c2ccc(I)o2)CC1 ZINC000365293117 563780519 /nfs/dbraw/zinc/78/05/19/563780519.db2.gz CNSLOBRALFYZAE-WMADIVHISA-N 1 0 388.249 2.840 20 0 GFADRO Cn1nc(Br)cc1C(=O)N[C@H]1c2ccccc2CC[C@@H]1[NH+](C)C ZINC000365384923 563781327 /nfs/dbraw/zinc/78/13/27/563781327.db2.gz LQTSFILHGUZYIY-BBRMVZONSA-N 1 0 377.286 2.530 20 0 GFADRO [NH3+][C@@H]1CCCN(C(=O)Nc2ccnn2Cc2ccc(Br)cc2)C1 ZINC000415528217 563782514 /nfs/dbraw/zinc/78/25/14/563782514.db2.gz LQXZKOCBYJXXAX-CQSZACIVSA-N 1 0 378.274 2.649 20 0 GFADRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)Nc1ccnn1Cc1cccc(Br)c1 ZINC000415526667 563782575 /nfs/dbraw/zinc/78/25/75/563782575.db2.gz JFBVQFOVMTZPHV-JSGCOSHPSA-N 1 0 392.301 2.895 20 0 GFADRO C[C@@H]1CN(C(=O)Nc2ccnn2Cc2cccc(Br)c2)[C@H](C)C[NH2+]1 ZINC000415527783 563782606 /nfs/dbraw/zinc/78/26/06/563782606.db2.gz OAOADFAXOIJOAS-CHWSQXEVSA-N 1 0 392.301 2.908 20 0 GFADRO COc1ccsc1[C@@H](C)[NH2+]CCNS(=O)(=O)c1ccc(F)cc1F ZINC000442891007 563783216 /nfs/dbraw/zinc/78/32/16/563783216.db2.gz QQYJVCVBKQLMEV-SNVBAGLBSA-N 1 0 376.450 2.664 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)Nc2ccnn2Cc2cccc(Br)c2)CC[NH2+]1 ZINC000415529808 563783208 /nfs/dbraw/zinc/78/32/08/563783208.db2.gz UIKIEPXVAUFJPF-IUODEOHRSA-N 1 0 392.301 2.956 20 0 GFADRO COc1cc(OC)c(NC(=O)N[C@H]2C[NH2+]CCC2(F)F)cc1Br ZINC000415530967 563783402 /nfs/dbraw/zinc/78/34/02/563783402.db2.gz VTWXCXDFUPLDCV-LBPRGKRZSA-N 1 0 394.216 2.585 20 0 GFADRO COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000415546360 563783638 /nfs/dbraw/zinc/78/36/38/563783638.db2.gz AUCBYXLLKUCXPT-UHFFFAOYSA-N 1 0 386.279 2.543 20 0 GFADRO CO[C@@H]1CCN(C(=O)Nc2cc(F)cc(F)c2Br)[C@H](C[NH3+])C1 ZINC000415556759 563784239 /nfs/dbraw/zinc/78/42/39/563784239.db2.gz IOVCJXLUEIZHBZ-VHSXEESVSA-N 1 0 378.217 2.697 20 0 GFADRO Cc1cc(Br)cc(Cl)c1NC(=O)C(=O)N1CC[C@H]([C@H](C)[NH3+])C1 ZINC000415581184 563784909 /nfs/dbraw/zinc/78/49/09/563784909.db2.gz SGZSEUXLLJTFKF-UWVGGRQHSA-N 1 0 388.693 2.545 20 0 GFADRO Cc1cc(Br)cc(Cl)c1NC(=O)C(=O)N1C[C@H](C)[NH2+]C[C@H]1C ZINC000415571203 563785136 /nfs/dbraw/zinc/78/51/36/563785136.db2.gz RFDLMZWJITVSCX-VHSXEESVSA-N 1 0 388.693 2.558 20 0 GFADRO Cc1cc(Cl)cc(NC(=O)C(=O)N2C[C@H](C)[NH2+]C[C@H]2C)c1Br ZINC000415568386 563785192 /nfs/dbraw/zinc/78/51/92/563785192.db2.gz QUAMEUHRNOFEQN-VHSXEESVSA-N 1 0 388.693 2.558 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)Nc2ccc(Br)c3ccccc23)C1 ZINC000415585864 563785763 /nfs/dbraw/zinc/78/57/63/563785763.db2.gz XSAAWNIRXLZSEF-RYUDHWBXSA-N 1 0 390.281 2.737 20 0 GFADRO CCc1n[nH]c(C(=O)NC2CCN(c3ccccn3)CC2)c1Br ZINC000365530176 563785849 /nfs/dbraw/zinc/78/58/49/563785849.db2.gz TYIMJVICDDUXDQ-UHFFFAOYSA-N 1 0 378.274 2.528 20 0 GFADRO COc1ccc(NC(=O)N[C@H]2CC[C@@H](C[NH3+])C2)c(I)c1 ZINC000415602860 563786746 /nfs/dbraw/zinc/78/67/46/563786746.db2.gz YUPKINJRHDJRKN-ZJUUUORDSA-N 1 0 389.237 2.549 20 0 GFADRO COC(=O)c1cc(NC(=O)N2C[C@H](C)[NH2+]C[C@H]2C)cc(Br)c1F ZINC000415613635 563788058 /nfs/dbraw/zinc/78/80/58/563788058.db2.gz NOWZMYSPRKDIJH-DTWKUNHWSA-N 1 0 388.237 2.589 20 0 GFADRO COC(=O)c1cccc(NC(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)c1Br ZINC000415616125 563788076 /nfs/dbraw/zinc/78/80/76/563788076.db2.gz SILJSUJCCWWVOT-KRWDZBQOSA-N 1 0 396.285 2.843 20 0 GFADRO COC(=O)c1cccc(NC(=O)N[C@@H]2CCCC[C@H]2C[NH3+])c1Br ZINC000415614960 563788187 /nfs/dbraw/zinc/78/81/87/563788187.db2.gz PYAMBAVRRXRGRQ-CMPLNLGQSA-N 1 0 384.274 2.875 20 0 GFADRO CCN(C(=O)c1cc(NC(=O)NCC(F)(F)CN)ccc1Cl)C(C)C ZINC000415619386 563788220 /nfs/dbraw/zinc/78/82/20/563788220.db2.gz KEIZVJHMILEKAG-UHFFFAOYSA-N 1 0 376.835 2.926 20 0 GFADRO O=C(NCC[C@H]1CCC[NH2+]1)C(=O)Nc1ccc(-c2ccc(Cl)s2)nc1 ZINC000415616862 563788227 /nfs/dbraw/zinc/78/82/27/563788227.db2.gz ASOANDZLAGWHPE-LLVKDONJSA-N 1 0 378.885 2.660 20 0 GFADRO O=C(NCC[C@H]1CCC[NH2+]1)C(=O)Nc1cccnc1-c1ccc(Cl)s1 ZINC000415624538 563788767 /nfs/dbraw/zinc/78/87/67/563788767.db2.gz LTYKYCWERSNYGB-LLVKDONJSA-N 1 0 378.885 2.660 20 0 GFADRO C[N@@H+]1CC[C@]2(CCN(C(=O)c3cc(Br)cnc3OCC3CC3)C2)C1 ZINC000292495134 563788943 /nfs/dbraw/zinc/78/89/43/563788943.db2.gz GBIKJIRFIHKTBI-SFHVURJKSA-N 1 0 394.313 2.801 20 0 GFADRO C[NH2+]C[C@H](C)CNC(=O)Nc1cc(Br)cc(C(=O)N2CCCC2)c1 ZINC000415636866 563789244 /nfs/dbraw/zinc/78/92/44/563789244.db2.gz LSUCGNWTPXDMOE-LBPRGKRZSA-N 1 0 397.317 2.662 20 0 GFADRO [NH3+]C1(CNC(=O)Nc2cc(Br)cc(C(=O)N3CCCC3)c2)CCC1 ZINC000415640742 563790021 /nfs/dbraw/zinc/79/00/21/563790021.db2.gz RVZIIZCPHPPSGE-UHFFFAOYSA-N 1 0 395.301 2.688 20 0 GFADRO CC(C)c1cc(Br)ccc1NC(=O)C(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000415666760 563790559 /nfs/dbraw/zinc/79/05/59/563790559.db2.gz XHUPMOWLTHLJRH-SMDDNHRTSA-N 1 0 382.302 2.625 20 0 GFADRO C[C@H]1C[C@@H](NC(=O)C(=O)Nc2cccc(Cl)c2SCC(F)F)CC[NH2+]1 ZINC000415665104 563790803 /nfs/dbraw/zinc/79/08/03/563790803.db2.gz DFNVLHDLHVYNPL-UWVGGRQHSA-N 1 0 391.871 2.892 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)C(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000415678273 563791527 /nfs/dbraw/zinc/79/15/27/563791527.db2.gz PWPPZMDYFJIXNU-AWEZNQCLSA-N 1 0 382.302 2.590 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000415683011 563791542 /nfs/dbraw/zinc/79/15/42/563791542.db2.gz WBGCUSWZGBKGMQ-LBPRGKRZSA-N 1 0 382.302 2.537 20 0 GFADRO C[C@H]1CCCN(C(=O)Nc2ccc3nccnc3c2Br)[C@@H]1C[NH3+] ZINC000415706684 563792012 /nfs/dbraw/zinc/79/20/12/563792012.db2.gz MTGRFEBUGXSFQU-GXFFZTMASA-N 1 0 378.274 2.983 20 0 GFADRO Cc1cc(I)cc(NC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000415706115 563792203 /nfs/dbraw/zinc/79/22/03/563792203.db2.gz IIEJRKQHXCDSEL-VXGBXAGGSA-N 1 0 385.249 2.673 20 0 GFADRO COC(=O)c1cc(NC(=O)N[C@H]2CC[NH2+]C2(C)C)c(C)cc1Br ZINC000415708544 563792823 /nfs/dbraw/zinc/79/28/23/563792823.db2.gz OBCXHVLIYPGQJQ-ZDUSSCGKSA-N 1 0 384.274 2.806 20 0 GFADRO C[NH2+]C[C@@H]1CCN(C(=O)Nc2cc(C(=O)OC)c(Br)cc2C)C1 ZINC000415713042 563792898 /nfs/dbraw/zinc/79/28/98/563792898.db2.gz WCCCMUYIPJORDN-NSHDSACASA-N 1 0 384.274 2.617 20 0 GFADRO C[C@@H](CCCC[NH3+])NC(=O)C(=O)Nc1cc(F)c(Br)cc1Cl ZINC000415748272 563793814 /nfs/dbraw/zinc/79/38/14/563793814.db2.gz YLVREJZIUYPKNU-QMMMGPOBSA-N 1 0 394.672 2.814 20 0 GFADRO CCc1cnc(CN(C)C(=O)NC2CCN(Cc3cscn3)CC2)s1 ZINC000365808817 563793763 /nfs/dbraw/zinc/79/37/63/563793763.db2.gz DFPZQEQRIYTWOK-UHFFFAOYSA-N 1 0 379.555 2.968 20 0 GFADRO C[C@H]1CCN(C(=O)Nc2ccn(-c3ccc(Br)cc3)n2)[C@H](C[NH3+])C1 ZINC000415753445 563794503 /nfs/dbraw/zinc/79/45/03/563794503.db2.gz GQXPEFIDCWTJCT-WFASDCNBSA-N 1 0 392.301 3.226 20 0 GFADRO COc1cc(I)ccc1NC(=O)N[C@@](C)(C[NH3+])C(C)C ZINC000415771094 563795620 /nfs/dbraw/zinc/79/56/20/563795620.db2.gz HGOAEOMYNZXPGS-AWEZNQCLSA-N 1 0 391.253 2.795 20 0 GFADRO O=C(Nc1cc(Cl)ccc1C(F)(F)F)C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000415779861 563796312 /nfs/dbraw/zinc/79/63/12/563796312.db2.gz LIKVSGYLNYVYRS-BXKDBHETSA-N 1 0 375.778 2.508 20 0 GFADRO O=C(c1ccc(Cl)c(I)c1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000292834061 563796409 /nfs/dbraw/zinc/79/64/09/563796409.db2.gz BPXHRZQIRNCMTG-GWCFXTLKSA-N 1 0 390.652 2.769 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H](CNC(=O)C(=O)Nc2cccc(Cl)c2Br)C1 ZINC000415804941 563796940 /nfs/dbraw/zinc/79/69/40/563796940.db2.gz IMMSPKYYZWNHNY-NXEZZACHSA-N 1 0 388.693 2.675 20 0 GFADRO C[C@H](CCC[NH3+])NC(=O)C(=O)Nc1ccc(C(F)(F)F)cc1Br ZINC000415791884 563796970 /nfs/dbraw/zinc/79/69/70/563796970.db2.gz UWRBWIHXKOCONQ-MRVPVSSYSA-N 1 0 396.207 2.650 20 0 GFADRO O=C(NCCCN1CC[NH2+]CC1)Nc1cc(Cl)cc(Br)c1 ZINC000415809947 563797404 /nfs/dbraw/zinc/79/74/04/563797404.db2.gz WGBYXQNCKDLHGX-UHFFFAOYSA-N 1 0 375.698 2.519 20 0 GFADRO [NH3+][C@H]1CCC[C@H](CNC(=O)C(=O)Nc2cc(Cl)ccc2C(F)(F)F)C1 ZINC000415807504 563797449 /nfs/dbraw/zinc/79/74/49/563797449.db2.gz LCOFAYLTNKEVPE-ONGXEEELSA-N 1 0 377.794 2.931 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H](CNC(=O)C(=O)Nc2cccc(Br)c2Cl)C1 ZINC000415811728 563797562 /nfs/dbraw/zinc/79/75/62/563797562.db2.gz PCLZJTACZCWKDD-NXEZZACHSA-N 1 0 388.693 2.675 20 0 GFADRO [NH3+]C[C@H](NC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1Cl)C1CCCC1 ZINC000415822526 563798248 /nfs/dbraw/zinc/79/82/48/563798248.db2.gz MGHYRCYFRSTMJY-ZDUSSCGKSA-N 1 0 377.794 2.931 20 0 GFADRO [NH3+]C[C@H]1CC[C@H](NC(=O)C(=O)Nc2cccnc2-c2ccc(Cl)s2)C1 ZINC000415828415 563798840 /nfs/dbraw/zinc/79/88/40/563798840.db2.gz FQMSRFREOWXKKS-QWRGUYRKSA-N 1 0 378.885 2.646 20 0 GFADRO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)C[C@@]1(C)C[NH3+] ZINC000415844695 563798952 /nfs/dbraw/zinc/79/89/52/563798952.db2.gz UWXIEVGUVCGKCL-RFAUZJTJSA-N 1 0 377.794 2.741 20 0 GFADRO Cc1nc2cc(Cl)c(NC(=O)C(=O)N[C@@H](CC[NH3+])C(F)(F)F)cc2s1 ZINC000415849804 563799566 /nfs/dbraw/zinc/79/95/66/563799566.db2.gz ZKMVVSDSELUIDN-NSHDSACASA-N 1 0 394.806 2.593 20 0 GFADRO O=C(Cc1ccc(F)c(Br)c1)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000366200041 563801210 /nfs/dbraw/zinc/80/12/10/563801210.db2.gz ISCVFHMMLBFMMV-CQSZACIVSA-N 1 0 385.277 2.500 20 0 GFADRO COCCN(Cc1ccc(F)c(Cl)c1)C(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000416000695 563801720 /nfs/dbraw/zinc/80/17/20/563801720.db2.gz YPZGGRCPBITMKC-CYBMUJFWSA-N 1 0 385.789 2.917 20 0 GFADRO C[C@H](CNC(=O)N[C@@H](CC[NH3+])C(F)(F)F)Oc1cccc(Br)c1 ZINC000415991636 563802114 /nfs/dbraw/zinc/80/21/14/563802114.db2.gz AACHLJHGELWIIS-SKDRFNHKSA-N 1 0 398.223 2.795 20 0 GFADRO Cc1nc2ccc(Br)cn2c1C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000366339677 563805649 /nfs/dbraw/zinc/80/56/49/563805649.db2.gz ONMLJHUHNREMTE-KBPBESRZSA-N 1 0 377.286 2.762 20 0 GFADRO CS(=O)(=O)CC[C@H]1CCCC[N@@H+]1C[C@H](O)COCc1ccccc1Cl ZINC000366423759 563807552 /nfs/dbraw/zinc/80/75/52/563807552.db2.gz VLNPHFBXKMHFON-SJORKVTESA-N 1 0 389.945 2.507 20 0 GFADRO C[N@@H+]1CC[C@H]2CCN(C(=O)c3ccn(-c4ccc(Br)cc4)n3)[C@@H]2C1 ZINC000293365042 563809516 /nfs/dbraw/zinc/80/95/16/563809516.db2.gz CYTLMLBAVLVRPL-SUMWQHHRSA-N 1 0 389.297 2.801 20 0 GFADRO C[N@@H+]1CC[C@]2(CCN(C(=O)c3ccn(-c4ccc(Br)cc4)n3)C2)C1 ZINC000293368208 563810184 /nfs/dbraw/zinc/81/01/84/563810184.db2.gz NCQUBBIZEIKZHA-SFHVURJKSA-N 1 0 389.297 2.803 20 0 GFADRO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1ccc(Br)c(C2CC2)n1 ZINC000293381386 563810282 /nfs/dbraw/zinc/81/02/82/563810282.db2.gz LGAOQGJYZCWRAF-LLVKDONJSA-N 1 0 397.317 2.507 20 0 GFADRO COc1ccc(Br)cc1C1(C(=O)NCC[N@H+]2CC=CCC2)CC1 ZINC000416216831 563810735 /nfs/dbraw/zinc/81/07/35/563810735.db2.gz MGLUAZKQKGWRIS-UHFFFAOYSA-N 1 0 379.298 2.867 20 0 GFADRO Cc1c(C(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)cnn1-c1cccc(Br)c1 ZINC000293392628 563810968 /nfs/dbraw/zinc/81/09/68/563810968.db2.gz MAIMNFRPFHPVHN-SUMWQHHRSA-N 1 0 389.297 2.767 20 0 GFADRO C[C@@H](NC(=O)N1CCC([N@H+](C)CCO)CC1)c1ccc(Br)s1 ZINC000443756136 563811917 /nfs/dbraw/zinc/81/19/17/563811917.db2.gz ZWORXRDBJBDURB-LLVKDONJSA-N 1 0 390.347 2.670 20 0 GFADRO O=C(COc1cccc(Br)c1)N1CC[C@H](OCC[NH+]2CCCC2)C1 ZINC000443871744 563813368 /nfs/dbraw/zinc/81/33/68/563813368.db2.gz YXUPOZZUZJKVGV-KRWDZBQOSA-N 1 0 397.313 2.541 20 0 GFADRO O=C(c1nc(C2CC2)ncc1Br)N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000366556309 563813411 /nfs/dbraw/zinc/81/34/11/563813411.db2.gz PHBCOXZQFCZWOU-KCQAQPDRSA-N 1 0 391.313 2.673 20 0 GFADRO O=C(CCc1ccc(Br)cc1)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000366560293 563813415 /nfs/dbraw/zinc/81/34/15/563813415.db2.gz WOIBHZZPMVROAV-KRWDZBQOSA-N 1 0 381.314 2.751 20 0 GFADRO C[C@@H]1CN(C(=O)CCCOc2ccccc2Br)[C@@H](C)C[N@@H+]1CCO ZINC000416299556 563814297 /nfs/dbraw/zinc/81/42/97/563814297.db2.gz SEZKAQWUQGOWFH-CABCVRRESA-N 1 0 399.329 2.522 20 0 GFADRO C[NH+](C)CCN1CCN(C(=O)c2cc(Cl)cc(Br)c2F)CC1 ZINC000443926990 563814774 /nfs/dbraw/zinc/81/47/74/563814774.db2.gz JYRPZYLBABMAQB-UHFFFAOYSA-N 1 0 392.700 2.561 20 0 GFADRO Cc1cnc([C@H]2CCCCN2CCOc2ccc(S(N)(=O)=O)cc2)s1 ZINC000366629747 563815969 /nfs/dbraw/zinc/81/59/69/563815969.db2.gz JWHZCJUIURHKPT-MRXNPFEDSA-N 1 0 381.523 2.705 20 0 GFADRO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)Cc1cc(Cl)ccc1Br ZINC000416316471 563816338 /nfs/dbraw/zinc/81/63/38/563816338.db2.gz VZSIFXNNBJBBGP-RYUDHWBXSA-N 1 0 389.721 2.559 20 0 GFADRO O=C1NC2(CCCC2)C(=O)N1CCC[NH2+]Cc1cnc(C(F)(F)F)s1 ZINC000443983101 563817697 /nfs/dbraw/zinc/81/76/97/563817697.db2.gz QNIUDIUSVOSBKJ-UHFFFAOYSA-N 1 0 376.404 2.506 20 0 GFADRO CCCC[N@@H+]1CCCC[C@@H]1CNS(=O)(=O)c1c(C(F)F)c(C)nn1C ZINC000416382236 563820506 /nfs/dbraw/zinc/82/05/06/563820506.db2.gz JEBLVQIZPHTZKM-CYBMUJFWSA-N 1 0 378.489 2.599 20 0 GFADRO COC(=O)[C@@H](c1ccc(Cl)cc1Cl)N1CCC([N@H+](C)CCCO)CC1 ZINC000444148501 563822745 /nfs/dbraw/zinc/82/27/45/563822745.db2.gz BYNJIWZQCOBSGH-QGZVFWFLSA-N 1 0 389.323 2.986 20 0 GFADRO CC(C)(C)NS(=O)(=O)c1cc(C(=O)NC(C)(C)CCC[NH3+])ccc1Cl ZINC000293754999 563823103 /nfs/dbraw/zinc/82/31/03/563823103.db2.gz WPPBJSWNJUAHDY-UHFFFAOYSA-N 1 0 389.949 2.664 20 0 GFADRO CC(C)(CCC[NH3+])NC(=O)CCC[S@](=O)c1ccc(Br)cc1 ZINC000293743589 563823212 /nfs/dbraw/zinc/82/32/12/563823212.db2.gz VFLPUOSGSQKIRW-QFIPXVFZSA-N 1 0 389.359 2.971 20 0 GFADRO CC(C)CN(CC[NH+](C)C)C(=O)c1cnc2ccc(Br)cc2c1O ZINC000444181346 563823420 /nfs/dbraw/zinc/82/34/20/563823420.db2.gz IPFCIMVCKOIHKY-UHFFFAOYSA-N 1 0 394.313 2.950 20 0 GFADRO Cc1cc(S(=O)(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)c(F)cc1Br ZINC000416408154 563823785 /nfs/dbraw/zinc/82/37/85/563823785.db2.gz OFQQKAWEQJBQAV-QWRGUYRKSA-N 1 0 379.295 2.658 20 0 GFADRO COc1ccc(Br)cc1C(=O)CCC(=O)NCC[C@H]1CCC[NH2+]1 ZINC000444261013 563825544 /nfs/dbraw/zinc/82/55/44/563825544.db2.gz CMMRRIKYHFCFGS-CYBMUJFWSA-N 1 0 383.286 2.679 20 0 GFADRO CCS(=O)(=O)N1CCC([NH2+][C@H]2CCc3sc(Br)cc32)CC1 ZINC000293875525 563826884 /nfs/dbraw/zinc/82/68/84/563826884.db2.gz VEULHYSVMUZZJR-LBPRGKRZSA-N 1 0 393.372 2.902 20 0 GFADRO COc1ccc(Br)c(S(=O)(=O)N2C[C@@H]([NH3+])Cc3ccccc32)c1 ZINC000416426370 563827036 /nfs/dbraw/zinc/82/70/36/563827036.db2.gz LZCOQLOFLFEIPZ-LBPRGKRZSA-N 1 0 397.294 2.536 20 0 GFADRO CC[N@@H+]1C[C@@H](C)N(C(=O)c2cnc3ccc(Br)cc3c2O)C[C@@H]1C ZINC000444326084 563828531 /nfs/dbraw/zinc/82/85/31/563828531.db2.gz ORIDBCUTOHDIAY-NWDGAFQWSA-N 1 0 392.297 2.845 20 0 GFADRO CC[C@H](NC(=O)c1cnc2ccc(Br)cc2c1O)c1ncc[nH]1 ZINC000444366698 563830084 /nfs/dbraw/zinc/83/00/84/563830084.db2.gz GIJZRMDUPRVLSA-LBPRGKRZSA-N 1 0 375.226 2.895 20 0 GFADRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)c3cccnc3)C2)c(Br)c1 ZINC000367132887 563832596 /nfs/dbraw/zinc/83/25/96/563832596.db2.gz HIPQYUZLSDNUDS-HNNXBMFYSA-N 1 0 390.281 2.857 20 0 GFADRO CCN1CC[C@H]([NH2+]CC(=O)Nc2nncs2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000367252816 563837617 /nfs/dbraw/zinc/83/76/17/563837617.db2.gz ONKBIFJLKLTXEY-DZGCQCFKSA-N 1 0 383.880 2.694 20 0 GFADRO [NH3+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2CCCN2C(=O)c2ccc(Cl)s2)CC1 ZINC000367287242 563839375 /nfs/dbraw/zinc/83/93/75/563839375.db2.gz PAGGJPCEQPOWNG-IHRRRGAJSA-N 1 0 383.945 2.887 20 0 GFADRO NC(=O)C[C@@H]1CC[N@H+](Cc2ccnc(-c3ccc(Br)cc3)n2)C1 ZINC000367309537 563840796 /nfs/dbraw/zinc/84/07/96/563840796.db2.gz WPDIGESFQLACJV-LBPRGKRZSA-N 1 0 375.270 2.603 20 0 GFADRO C[C@@H](NC(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O)c1ccc(Cl)cc1Cl ZINC000444986303 563841171 /nfs/dbraw/zinc/84/11/71/563841171.db2.gz ARJSUAROEZTIMC-IAQYHMDHSA-N 1 0 387.311 2.693 20 0 GFADRO COc1ccc(CC[NH2+][C@H]2CCC[C@@H](S(C)(=O)=O)C2)cc1OC(F)F ZINC000294456710 563843254 /nfs/dbraw/zinc/84/32/54/563843254.db2.gz YRAUOCKKOAFLLQ-UONOGXRCSA-N 1 0 377.453 2.785 20 0 GFADRO Cc1sc(Br)cc1S(=O)(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000416548223 563846352 /nfs/dbraw/zinc/84/63/52/563846352.db2.gz BFPQPUXPOXDIAT-NSHDSACASA-N 1 0 381.361 2.829 20 0 GFADRO C[NH+](C)CCN(Cc1ccsc1)S(=O)(=O)c1cccnc1C(F)(F)F ZINC000416552730 563846963 /nfs/dbraw/zinc/84/69/63/563846963.db2.gz HXLXSWBGRRLIED-UHFFFAOYSA-N 1 0 393.456 2.914 20 0 GFADRO CC[NH+](CC)CCSCC(=O)N[C@@H]1CCC(=O)N(C)[C@@H]1c1cccs1 ZINC000367509754 563847308 /nfs/dbraw/zinc/84/73/08/563847308.db2.gz IGXZMOKAIXTHDQ-KDOFPFPSSA-N 1 0 383.583 2.601 20 0 GFADRO Cc1cc(Br)cc(S(=O)(=O)NCC[C@H]2CCC[N@@H+](C)C2)c1 ZINC000416562886 563849180 /nfs/dbraw/zinc/84/91/80/563849180.db2.gz XHKHJVIPSVCVTA-CYBMUJFWSA-N 1 0 375.332 2.768 20 0 GFADRO O=C(NCCC[NH2+][C@H]1CCCc2n[nH]cc21)c1cccc(Br)c1 ZINC000367598293 563849909 /nfs/dbraw/zinc/84/99/09/563849909.db2.gz DLISCVYRKXPGPB-HNNXBMFYSA-N 1 0 377.286 2.959 20 0 GFADRO CS[C@H]1CN(S(=O)(=O)c2cc(F)cc(Cl)c2)C[C@@H]1[NH+]1CCCC1 ZINC000445709807 563852387 /nfs/dbraw/zinc/85/23/87/563852387.db2.gz PAKBJULEAARSHQ-GJZGRUSLSA-N 1 0 378.922 2.679 20 0 GFADRO CN(Cc1ncc(I)s1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000367703944 563852917 /nfs/dbraw/zinc/85/29/17/563852917.db2.gz KBOZGAXPEXTZKL-ZACCUICWSA-N 1 0 377.295 2.805 20 0 GFADRO C[C@H]([NH2+]C1CCN(Cc2c(F)cccc2Cl)CC1)C1(S(C)(=O)=O)CC1 ZINC000367704202 563853031 /nfs/dbraw/zinc/85/30/31/563853031.db2.gz DUKLKORBKPRPKV-ZDUSSCGKSA-N 1 0 388.936 2.999 20 0 GFADRO C[C@@H]1CCC[N@@H+]1C1CCN(S(=O)(=O)c2cccnc2C(F)(F)F)CC1 ZINC000367777888 563854890 /nfs/dbraw/zinc/85/48/90/563854890.db2.gz TUBNSMTYJDDTQC-GFCCVEGCSA-N 1 0 377.432 2.738 20 0 GFADRO O=C1CCN(C[NH2+][C@@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)CC1 ZINC000367820063 563856838 /nfs/dbraw/zinc/85/68/38/563856838.db2.gz HMLNMMXWXVDCGS-GFCCVEGCSA-N 1 0 376.810 2.545 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)NCC1([NH+](C)C)CCC1 ZINC000446174529 563860043 /nfs/dbraw/zinc/86/00/43/563860043.db2.gz GWLUMEXCAKMPCW-UHFFFAOYSA-N 1 0 382.302 2.605 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000416826141 563861947 /nfs/dbraw/zinc/86/19/47/563861947.db2.gz JRAYESNSQXSWSZ-OAHLLOKOSA-N 1 0 397.317 2.513 20 0 GFADRO O=C([C@@H]1COc2ccc(Br)cc21)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000368025162 563862102 /nfs/dbraw/zinc/86/21/02/563862102.db2.gz ZEBJAUHDXVCFQJ-MAZHCROVSA-N 1 0 379.298 2.916 20 0 GFADRO COc1ccc([C@H](C)NC(=O)N[C@@H]2C[NH2+]CCC2(F)F)cc1Br ZINC000416885731 563862556 /nfs/dbraw/zinc/86/25/56/563862556.db2.gz FVEZTQKRBOGLPK-TVQRCGJNSA-N 1 0 392.244 2.815 20 0 GFADRO CC(C)[C@H](C(=O)NCc1cnn(-c2ccc(Br)cc2)c1)[NH+](C)C ZINC000446373809 563863488 /nfs/dbraw/zinc/86/34/88/563863488.db2.gz ZCHKZNXCJUEQQZ-MRXNPFEDSA-N 1 0 379.302 2.837 20 0 GFADRO C[C@H]1C[C@H](NC(=O)C(=O)Nc2ccc(Br)c(Cl)c2)CC[N@@H+]1C ZINC000446741190 563868130 /nfs/dbraw/zinc/86/81/30/563868130.db2.gz KSWBBFDRGNQNKD-GXSJLCMTSA-N 1 0 388.693 2.640 20 0 GFADRO Cc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000368364826 563869464 /nfs/dbraw/zinc/86/94/64/563869464.db2.gz XSIZPENLNJXHQI-UOIKSKOESA-N 1 0 379.291 2.672 20 0 GFADRO CN(CC[NH+](C)C)C(=O)NCc1ccc(Cl)cc1I ZINC000446871448 563869969 /nfs/dbraw/zinc/86/99/69/563869969.db2.gz NBVFXYOGVLJTAO-UHFFFAOYSA-N 1 0 395.672 2.648 20 0 GFADRO O=C(NCc1ccc(O)c(Br)c1)N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000368446456 563871300 /nfs/dbraw/zinc/87/13/00/563871300.db2.gz XEIISTVBMUVSGM-DZKIICNBSA-N 1 0 394.313 2.780 20 0 GFADRO O=C1[C@H](N2CC[NH+]([C@@H]3CCSC3)CC2)CCN1c1ccc(F)c(Cl)c1 ZINC000368469477 563871898 /nfs/dbraw/zinc/87/18/98/563871898.db2.gz ZXIFZMRIFJQJNO-RHSMWYFYSA-N 1 0 383.920 2.708 20 0 GFADRO [NH3+]CCCOC1CCN(C(=O)NCc2cc(F)cc(Br)c2)CC1 ZINC000417208126 563873289 /nfs/dbraw/zinc/87/32/89/563873289.db2.gz ZWXYVBASAHXHGF-UHFFFAOYSA-N 1 0 388.281 2.628 20 0 GFADRO Cc1c(Br)cccc1C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000368533002 563873616 /nfs/dbraw/zinc/87/36/16/563873616.db2.gz URSHFUQSGYBPGJ-UHFFFAOYSA-N 1 0 381.314 2.942 20 0 GFADRO C[NH+](C)Cc1ccsc1C(=O)NC[C@@H](c1cccs1)N1CCOCC1 ZINC000447090029 563873925 /nfs/dbraw/zinc/87/39/25/563873925.db2.gz YCLVCXLLCNCGTO-HNNXBMFYSA-N 1 0 379.551 2.675 20 0 GFADRO CC(C)[C@](C)(C[NH3+])NC(=O)[C@H]1CCCN(c2ccc(Br)cn2)C1 ZINC000368561381 563874260 /nfs/dbraw/zinc/87/42/60/563874260.db2.gz JYFBMCBIBLCITR-GUYCJALGSA-N 1 0 383.334 2.550 20 0 GFADRO O=C1[C@H]([NH2+]Cc2cccc3nccn32)CCN1c1cccc(Br)c1 ZINC000447071478 563874419 /nfs/dbraw/zinc/87/44/19/563874419.db2.gz ZBEDMVIFVFQCHK-MRXNPFEDSA-N 1 0 385.265 2.992 20 0 GFADRO COC(=O)[C@@](C)(C[NH2+][C@@H](C)Cn1cc(Br)cn1)c1ccc(F)cc1 ZINC000447096632 563874630 /nfs/dbraw/zinc/87/46/30/563874630.db2.gz IUANXJQUCSTUEB-SJCJKPOMSA-N 1 0 398.276 2.894 20 0 GFADRO C[C@@H](CC[NH+](C)C)NC(=O)Nc1nnc(COc2ccc(Cl)cc2)s1 ZINC000417278402 563876276 /nfs/dbraw/zinc/87/62/76/563876276.db2.gz IZZIMVBGXCAOPA-NSHDSACASA-N 1 0 383.905 3.232 20 0 GFADRO CC[N@@H+]1CCCC[C@@H]1CNS(=O)(=O)c1cc(Br)sc1C ZINC000447198310 563876854 /nfs/dbraw/zinc/87/68/54/563876854.db2.gz FDCGZMWKBQRBOX-LLVKDONJSA-N 1 0 381.361 2.972 20 0 GFADRO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000368710991 563877552 /nfs/dbraw/zinc/87/75/52/563877552.db2.gz ABMAOELMGSRWJT-LBPRGKRZSA-N 1 0 379.254 2.736 20 0 GFADRO CCC([NH3+])(CC)CNC(=O)NCc1cc(Br)c2c(c1)OCCO2 ZINC000417297646 563877575 /nfs/dbraw/zinc/87/75/75/563877575.db2.gz IYIUJQOEVBDBCS-UHFFFAOYSA-N 1 0 386.290 2.537 20 0 GFADRO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)NCc1cc(Br)c2c(c1)OCCO2 ZINC000417295758 563877591 /nfs/dbraw/zinc/87/75/91/563877591.db2.gz FOWFRSOGRXYVPI-OCCSQVGLSA-N 1 0 398.301 2.537 20 0 GFADRO CO[C@@H](C[NH2+][C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1)CC(C)C ZINC000417364337 563878608 /nfs/dbraw/zinc/87/86/08/563878608.db2.gz LVIZHAZMAUDQMM-WCQYABFASA-N 1 0 393.347 2.808 20 0 GFADRO O=C(CC1CC[NH+](Cc2cccc(Br)c2)CC1)N1CCOCC1 ZINC000368802295 563879332 /nfs/dbraw/zinc/87/93/32/563879332.db2.gz LJXWUQSQGJRHIO-UHFFFAOYSA-N 1 0 381.314 2.910 20 0 GFADRO CC(C)(CNC(=O)NCCCN1CC[NH2+]CC1)c1ccc(Cl)c(Cl)c1 ZINC000417392134 563879322 /nfs/dbraw/zinc/87/93/22/563879322.db2.gz SIMCBPFEZDRERB-UHFFFAOYSA-N 1 0 387.355 2.866 20 0 GFADRO COC[C@@]1(CNC(=O)NCC(C)(C)c2cccc(Br)c2)CCC[NH2+]1 ZINC000417430306 563880087 /nfs/dbraw/zinc/88/00/87/563880087.db2.gz PDXNNLGALPZRML-SFHVURJKSA-N 1 0 398.345 2.795 20 0 GFADRO CCCC[C@@H](C[NH3+])NC(=O)N[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000417482995 563881192 /nfs/dbraw/zinc/88/11/92/563881192.db2.gz QRALKVRINFHXOV-GJZGRUSLSA-N 1 0 383.334 2.845 20 0 GFADRO COc1cc(Br)c(C[N@@H+]2CC[C@]3(C2)CCCN(C)C3=O)cc1O ZINC000368924961 563882127 /nfs/dbraw/zinc/88/21/27/563882127.db2.gz OYSFSBUJAIXMKM-KRWDZBQOSA-N 1 0 383.286 2.608 20 0 GFADRO COC(=O)c1coc([C@@H](C)[NH2+]CCNC(=O)c2cccc(Br)c2)c1 ZINC000447589960 563883665 /nfs/dbraw/zinc/88/36/65/563883665.db2.gz ZHONSJFMWDNXFA-LLVKDONJSA-N 1 0 395.253 2.909 20 0 GFADRO C[C@@H](CC[NH3+])NC(=O)NCCSCCOc1cccc(Br)c1 ZINC000417597066 563885359 /nfs/dbraw/zinc/88/53/59/563885359.db2.gz RWLLFPJOKYIVFZ-LBPRGKRZSA-N 1 0 390.347 2.598 20 0 GFADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000369044386 563885682 /nfs/dbraw/zinc/88/56/82/563885682.db2.gz LYQKKGVDHFKMKG-RYUDHWBXSA-N 1 0 375.803 2.926 20 0 GFADRO C[C@@H](CCCC[NH3+])NC(=O)N[C@@H]1CCN(c2ccccc2Br)C1 ZINC000417600848 563885958 /nfs/dbraw/zinc/88/59/58/563885958.db2.gz KIXRKKHRZBFEEK-UONOGXRCSA-N 1 0 383.334 2.845 20 0 GFADRO CC[C@@H](NC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(Cl)s1 ZINC000417647396 563886801 /nfs/dbraw/zinc/88/68/01/563886801.db2.gz LIZMSUKBFUTHRO-ZYHUDNBSSA-N 1 0 398.882 2.988 20 0 GFADRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNc1ccc(S(N)(=O)=O)c(C(F)(F)F)c1 ZINC000447818158 563887128 /nfs/dbraw/zinc/88/71/28/563887128.db2.gz VDBWAEYHTNBLKR-AWEZNQCLSA-N 1 0 379.448 2.885 20 0 GFADRO O=C(NCC1(c2ccccc2Br)CC1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000417725823 563887569 /nfs/dbraw/zinc/88/75/69/563887569.db2.gz GMPDTLFVSYMCNZ-QGZVFWFLSA-N 1 0 378.314 2.876 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)NCCOc2ncc(C(F)(F)F)cc2Cl)C1 ZINC000417728537 563887954 /nfs/dbraw/zinc/88/79/54/563887954.db2.gz ASYFQRJDZFLYCS-NXEZZACHSA-N 1 0 380.798 2.511 20 0 GFADRO C[NH2+]C[C@H]1CCCN1C(=O)NCCOc1ncc(C(F)(F)F)cc1Cl ZINC000417732305 563887996 /nfs/dbraw/zinc/88/79/96/563887996.db2.gz HEWWEKZLCHBGCS-LLVKDONJSA-N 1 0 380.798 2.526 20 0 GFADRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)NCCOc1ncc(C(F)(F)F)cc1Cl ZINC000417736933 563888029 /nfs/dbraw/zinc/88/80/29/563888029.db2.gz NCTMGKQJFSONNJ-NXEZZACHSA-N 1 0 380.798 2.511 20 0 GFADRO C[C@@H](C[NH+]1CCCCC1)NC(=O)N1CCC(n2cc(Br)cn2)CC1 ZINC000369149208 563888118 /nfs/dbraw/zinc/88/81/18/563888118.db2.gz DOYVOEQWHUTGAB-AWEZNQCLSA-N 1 0 398.349 2.867 20 0 GFADRO C[C@H](CNC(=O)N1CC[C@H](C)[C@H](C[NH3+])C1)Oc1ccc(Br)cc1 ZINC000417772215 563888543 /nfs/dbraw/zinc/88/85/43/563888543.db2.gz HMCSWKCUIUEYQQ-BFHYXJOUSA-N 1 0 384.318 2.843 20 0 GFADRO O=C(NCCC[NH2+]C1CC1)NCCOc1ncc(C(F)(F)F)cc1Cl ZINC000417741687 563888779 /nfs/dbraw/zinc/88/87/79/563888779.db2.gz VBHOIDJNERTKKJ-UHFFFAOYSA-N 1 0 380.798 2.574 20 0 GFADRO CC[C@H](NC(=O)NC[C@]1(COC)CCC[NH2+]1)c1nc(C(F)(F)F)cs1 ZINC000417782596 563889373 /nfs/dbraw/zinc/88/93/73/563889373.db2.gz LPZGWKDELFJZEC-HZMBPMFUSA-N 1 0 380.436 2.681 20 0 GFADRO CCCN(C(=O)NC[C@@H](C)Oc1cccc(Br)c1)[C@@H]1CC[NH2+]C1 ZINC000417797799 563889826 /nfs/dbraw/zinc/88/98/26/563889826.db2.gz RCVLSMNFQVXBKN-UKRRQHHQSA-N 1 0 384.318 3.000 20 0 GFADRO O=C(NCCCc1ccc(Cl)cc1Cl)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000417806864 563889835 /nfs/dbraw/zinc/88/98/35/563889835.db2.gz BRLOIJWIWNMMQN-INIZCTEOSA-N 1 0 385.339 2.615 20 0 GFADRO CC(=O)N1CCC([NH2+]Cc2ccc(F)cc2I)CC1 ZINC000417840987 563890391 /nfs/dbraw/zinc/89/03/91/563890391.db2.gz MUNJMMGQBRRJDI-UHFFFAOYSA-N 1 0 376.213 2.531 20 0 GFADRO O=C(NCc1ccc(O)c(Br)c1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000417892549 563891008 /nfs/dbraw/zinc/89/10/08/563891008.db2.gz DGKFEUCGIUVAMS-CQSZACIVSA-N 1 0 382.302 2.686 20 0 GFADRO COC(=O)c1cc(Cl)ccc1S(=O)(=O)NC[C@H]1[N@H+](C)CCCC1(C)C ZINC000447939556 563891383 /nfs/dbraw/zinc/89/13/83/563891383.db2.gz FZHFHSDUAQZGGU-OAHLLOKOSA-N 1 0 388.917 2.525 20 0 GFADRO CN1CCC([N@@H+]2CC[C@H](NC(=O)COc3cc(Cl)ccc3Cl)C2)CC1 ZINC000369274116 563891390 /nfs/dbraw/zinc/89/13/90/563891390.db2.gz MPNCLEUJOCEIRG-AWEZNQCLSA-N 1 0 386.323 2.657 20 0 GFADRO C[C@@H](C[NH3+])N(C)C(=O)NCCOc1ccc(Br)cc1C(F)(F)F ZINC000417953413 563892156 /nfs/dbraw/zinc/89/21/56/563892156.db2.gz OGUDZVXHTITGIH-VIFPVBQESA-N 1 0 398.223 2.835 20 0 GFADRO CCCOc1c(Br)cc(C[NH2+][C@@H](CO)[C@H]2CCCO2)cc1OC ZINC000447989267 563892422 /nfs/dbraw/zinc/89/24/22/563892422.db2.gz OXVYKGFOVDPVBW-LSDHHAIUSA-N 1 0 388.302 2.876 20 0 GFADRO FC(F)(F)c1cnc(N[C@H]2CC[N@H+](CCN3CCOCC3)C2)c(Cl)c1 ZINC000369345196 563893145 /nfs/dbraw/zinc/89/31/45/563893145.db2.gz JTIGHNDNFCFETK-ZDUSSCGKSA-N 1 0 378.826 2.572 20 0 GFADRO C[C@H]1CN(C(=O)NC2CCN(Cc3cc(Cl)cc(Cl)c3)CC2)CC[NH2+]1 ZINC000417982109 563893489 /nfs/dbraw/zinc/89/34/89/563893489.db2.gz ARHCOJZKZDEVRX-ZDUSSCGKSA-N 1 0 385.339 2.961 20 0 GFADRO O=C(N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000417976849 563893549 /nfs/dbraw/zinc/89/35/49/563893549.db2.gz BETBWPDBORHHBJ-OGHNNQOOSA-N 1 0 383.323 2.966 20 0 GFADRO COc1cc(Br)ccc1CCCNC(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000418003125 563894550 /nfs/dbraw/zinc/89/45/50/563894550.db2.gz MQAZRMFLAMWQBV-IUODEOHRSA-N 1 0 384.318 2.817 20 0 GFADRO Cc1cc(Br)cn2cc(CNC(=O)N3CC[C@@H](C)[C@H](C[NH3+])C3)nc12 ZINC000418015885 563895441 /nfs/dbraw/zinc/89/54/41/563895441.db2.gz FGKVRRYVIWMWMN-DGCLKSJQSA-N 1 0 394.317 2.532 20 0 GFADRO CO[C@H]1CCN(C(=O)NCc2cc3cc(Br)ccc3[nH]2)[C@H](C[NH3+])C1 ZINC000418023601 563895826 /nfs/dbraw/zinc/89/58/26/563895826.db2.gz CDIKERGZTCRSFE-GJZGRUSLSA-N 1 0 395.301 2.578 20 0 GFADRO COCC[C@@]1([NH2+]Cc2ccc(F)cc2I)CCOC1 ZINC000418029393 563895975 /nfs/dbraw/zinc/89/59/75/563895975.db2.gz INXWIAOGYMXLMS-CQSZACIVSA-N 1 0 379.213 2.716 20 0 GFADRO Cc1ccc(Br)c(NC(=O)C(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)c1 ZINC000448328620 563896086 /nfs/dbraw/zinc/89/60/86/563896086.db2.gz QZOTUCSRLDQIJL-OAHLLOKOSA-N 1 0 396.329 2.933 20 0 GFADRO Cc1ccc(Br)cc1CNC(=O)N1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000418042106 563896599 /nfs/dbraw/zinc/89/65/99/563896599.db2.gz BBNNCLHBUSPSNC-HNNXBMFYSA-N 1 0 396.329 2.654 20 0 GFADRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)N[C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O ZINC000418086221 563898109 /nfs/dbraw/zinc/89/81/09/563898109.db2.gz ZIRGFBMYOOWMNY-LEWSCRJBSA-N 1 0 385.295 2.620 20 0 GFADRO CN(C(=O)c1ccccc1-n1cc(Br)cn1)C1CC[NH+](C)CC1 ZINC000448555642 563898144 /nfs/dbraw/zinc/89/81/44/563898144.db2.gz BSLCZGBXBFKRIN-UHFFFAOYSA-N 1 0 377.286 2.801 20 0 GFADRO C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)NCc1cnn(-c2ccc(Br)cc2)c1 ZINC000418086526 563898112 /nfs/dbraw/zinc/89/81/12/563898112.db2.gz CWONISYFFYYATP-QWHCGFSZSA-N 1 0 392.301 2.527 20 0 GFADRO [NH3+]C[C@H](NC(=O)N[C@H]1CCN(c2cccc(Br)c2)C1)C1CCCC1 ZINC000418090034 563898547 /nfs/dbraw/zinc/89/85/47/563898547.db2.gz CDRVNJDVLVPNCY-RDJZCZTQSA-N 1 0 395.345 2.845 20 0 GFADRO Cc1ccc(CC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)c(Br)c1 ZINC000448602112 563898725 /nfs/dbraw/zinc/89/87/25/563898725.db2.gz ANMWUJYKQSCTTM-INIZCTEOSA-N 1 0 383.330 2.773 20 0 GFADRO [NH3+]CCN(Cc1ccccc1)C(=O)NCCCCn1cc(Br)cn1 ZINC000418100435 563898961 /nfs/dbraw/zinc/89/89/61/563898961.db2.gz DIOXHELXQHLAPM-UHFFFAOYSA-N 1 0 394.317 2.596 20 0 GFADRO C[C@H](NC(=O)NCc1cc(F)c(F)cc1Br)[C@@H]1CCC[NH2+]C1 ZINC000418184681 563900790 /nfs/dbraw/zinc/90/07/90/563900790.db2.gz REYWODHFMLZRAT-VHSXEESVSA-N 1 0 376.245 2.915 20 0 GFADRO CC[N@@H+]1CC[C@@H](CNC(=O)c2ccccc2-n2cc(Br)cn2)C1 ZINC000448764316 563901099 /nfs/dbraw/zinc/90/10/99/563901099.db2.gz RDUJJXCBOGJEHJ-ZDUSSCGKSA-N 1 0 377.286 2.706 20 0 GFADRO CC[C@@H](C)[N@H+](C)CCNC(=O)c1ccc(I)cc1F ZINC000448877346 563902621 /nfs/dbraw/zinc/90/26/21/563902621.db2.gz FIWBYSOQBXKKKH-SNVBAGLBSA-N 1 0 378.229 2.890 20 0 GFADRO COCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](Cc2cccc(F)c2Br)C1 ZINC000449016035 563905142 /nfs/dbraw/zinc/90/51/42/563905142.db2.gz MDPZJJBIZFGCMZ-OCCSQVGLSA-N 1 0 387.293 2.951 20 0 GFADRO COc1ccc(Br)c(C(=O)NCCC[NH2+]Cc2ccncc2F)c1 ZINC000449128836 563907139 /nfs/dbraw/zinc/90/71/39/563907139.db2.gz YKXRJTPYHMCMGI-UHFFFAOYSA-N 1 0 396.260 2.902 20 0 GFADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+]CCc1cscn1 ZINC000449171069 563907491 /nfs/dbraw/zinc/90/74/91/563907491.db2.gz SNGZMHKYWSLGEB-LLVKDONJSA-N 1 0 398.326 2.751 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]C[C@@H]1CCC[C@@H](O)C1 ZINC000449166331 563907550 /nfs/dbraw/zinc/90/75/50/563907550.db2.gz ZUTICUISIIPAHB-WOSRLPQWSA-N 1 0 399.329 2.603 20 0 GFADRO C[C@H](C[NH2+][C@@H](C[S@](C)=O)c1ccccc1)c1ccc(S(C)(=O)=O)cc1 ZINC000449230120 563908316 /nfs/dbraw/zinc/90/83/16/563908316.db2.gz HSPICQJFXODQMI-YIEPVFBUSA-N 1 0 379.547 2.903 20 0 GFADRO COc1ccc2c(c1)C[C@@H]([NH2+]CCN(C)S(=O)(=O)c1cccs1)CC2 ZINC000537949687 564178282 /nfs/dbraw/zinc/17/82/82/564178282.db2.gz QVRHYAGGPRTKJZ-INIZCTEOSA-N 1 0 380.535 2.524 20 0 GFADRO C[C@H]([NH2+]CCS(=O)(=O)NC(C)(C)C)c1ccc(OCC(F)(F)F)cc1 ZINC000537981679 564179077 /nfs/dbraw/zinc/17/90/77/564179077.db2.gz VKBJQJVYAGZYRH-LBPRGKRZSA-N 1 0 382.448 2.996 20 0 GFADRO C[C@H](C[NH2+]C1CCN(c2nccs2)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000449300721 564179372 /nfs/dbraw/zinc/17/93/72/564179372.db2.gz FDRDTAWIKZLZNW-CQSZACIVSA-N 1 0 379.551 2.909 20 0 GFADRO Cc1cc(S(=O)(=O)N2CCN(C3CC[NH+](C(C)C)CC3)CC2)sc1C ZINC000538013151 564179872 /nfs/dbraw/zinc/17/98/72/564179872.db2.gz PFAPRJAISPBFSZ-UHFFFAOYSA-N 1 0 385.599 2.544 20 0 GFADRO COC(=O)c1cn(CC[NH2+]Cc2cc(Cl)c(C)cc2Br)nn1 ZINC000449314628 564179902 /nfs/dbraw/zinc/17/99/02/564179902.db2.gz RJCCCTBUOYATIJ-UHFFFAOYSA-N 1 0 387.665 2.579 20 0 GFADRO CC[C@@H](O)C[N@H+](Cc1ccccc1)Cc1cc(Cl)cc(S(N)(=O)=O)c1 ZINC000563211934 564180538 /nfs/dbraw/zinc/18/05/38/564180538.db2.gz RGZKQFUIKOSBHW-QGZVFWFLSA-N 1 0 382.913 2.761 20 0 GFADRO C[N@H+](CC1CC1)C[C@H]1CCN([C@H](C(N)=O)c2ccc(Br)cc2F)C1 ZINC000470955880 564180658 /nfs/dbraw/zinc/18/06/58/564180658.db2.gz PILYKWCCWYOZBH-DYVFJYSZSA-N 1 0 398.320 2.778 20 0 GFADRO COC[C@@](C)(O)CC[NH2+]Cc1cc(Br)c(OC(F)F)c(OC)c1 ZINC000449383559 564182830 /nfs/dbraw/zinc/18/28/30/564182830.db2.gz IHFHYSYWPISJSC-HNNXBMFYSA-N 1 0 398.244 2.936 20 0 GFADRO OCCC[N@@H+]1CCC[C@@H]1CNCc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000449386996 564183146 /nfs/dbraw/zinc/18/31/46/564183146.db2.gz KGQJQXNMQDKZHV-MRXNPFEDSA-N 1 0 393.329 2.776 20 0 GFADRO C[C@H](C(=O)Nc1ccccc1Br)N(C)Cc1cnc(N(C)C)nc1 ZINC000505487571 564183951 /nfs/dbraw/zinc/18/39/51/564183951.db2.gz IZGUXQLSBUNKIN-GFCCVEGCSA-N 1 0 392.301 2.764 20 0 GFADRO O=S(=O)(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1c(F)cccc1OC(F)(F)F ZINC000563293177 564184322 /nfs/dbraw/zinc/18/43/22/564184322.db2.gz SNDZOQSQVINUBL-RYUDHWBXSA-N 1 0 382.379 2.629 20 0 GFADRO C[C@@]1(O)CCC[N@H+](C[C@@H](O)COc2cc(F)cc(Br)c2)CC1 ZINC000471079590 564184468 /nfs/dbraw/zinc/18/44/68/564184468.db2.gz CHUKIGLEUFFFAA-GDBMZVCRSA-N 1 0 376.266 2.565 20 0 GFADRO [NH3+]CCC1CCN(C(=O)[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)CC1 ZINC000563338673 564186435 /nfs/dbraw/zinc/18/64/35/564186435.db2.gz MBHFBHNZOUTQOY-CQSZACIVSA-N 1 0 384.307 2.934 20 0 GFADRO CCCOc1c(Cl)cc(C[NH2+][C@@H](CC)CNS(C)(=O)=O)cc1OC ZINC000449443720 564186740 /nfs/dbraw/zinc/18/67/40/564186740.db2.gz VESNUXDWOFSOPT-ZDUSSCGKSA-N 1 0 378.922 2.555 20 0 GFADRO CO[C@@H]1COCC[C@@H]1C[NH2+]Cc1nc(-c2cccc(Br)c2)c[nH]1 ZINC000449455857 564186769 /nfs/dbraw/zinc/18/67/69/564186769.db2.gz LXXBVZFOZMRNJZ-CZUORRHYSA-N 1 0 380.286 2.980 20 0 GFADRO CO[C@@H]1COCC[C@@H]1C[NH2+][C@H](C)CC(=O)Nc1ccc(Br)cc1 ZINC000449457888 564186970 /nfs/dbraw/zinc/18/69/70/564186970.db2.gz OHJQOERHODSYFM-XJKCOSOUSA-N 1 0 385.302 2.807 20 0 GFADRO C[NH+](C)CCN(C(=O)c1ccc(F)c(I)c1)C1CC1 ZINC000505668723 564187368 /nfs/dbraw/zinc/18/73/68/564187368.db2.gz KMUHVARTANZSNL-UHFFFAOYSA-N 1 0 376.213 2.597 20 0 GFADRO Cc1cc(N2C[C@H](C(=O)N(C)CCC[NH+](C)C)CC2=O)ccc1Br ZINC000538316147 564187941 /nfs/dbraw/zinc/18/79/41/564187941.db2.gz QVJHISIXMWCKDJ-CQSZACIVSA-N 1 0 396.329 2.521 20 0 GFADRO CO[C@@H]1COCC[C@H]1C[NH2+]Cc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000449458671 564188294 /nfs/dbraw/zinc/18/82/94/564188294.db2.gz PKSVZPYSZCBFOJ-XJKSGUPXSA-N 1 0 380.286 2.980 20 0 GFADRO Cc1ccc(C[C@H](CO)C[NH2+]Cc2cn(C(C)C)nn2)cc1Br ZINC000449596287 564190730 /nfs/dbraw/zinc/19/07/30/564190730.db2.gz ANGYDHNTOJJGNE-HNNXBMFYSA-N 1 0 381.318 2.871 20 0 GFADRO C[NH+](C)C1(CNC(=O)c2c[nH]c3ccc(Br)cc23)CCOCC1 ZINC000506018450 564195009 /nfs/dbraw/zinc/19/50/09/564195009.db2.gz VWQNXMXCIOUWNN-UHFFFAOYSA-N 1 0 380.286 2.771 20 0 GFADRO CCn1nccc1C[NH2+]C[C@@H](CO)Cc1cc(Br)ccc1OC ZINC000449678663 564195321 /nfs/dbraw/zinc/19/53/21/564195321.db2.gz GBAFLHHSKNMJFT-ZDUSSCGKSA-N 1 0 382.302 2.615 20 0 GFADRO OCC[N@H+](Cc1cc(Br)c2c(c1)OCCO2)C1CCSCC1 ZINC000449682823 564195864 /nfs/dbraw/zinc/19/58/64/564195864.db2.gz IASLKTDOHRIXMF-UHFFFAOYSA-N 1 0 388.327 2.910 20 0 GFADRO COc1ccc(Br)cc1C[C@@H](CO)C[NH2+][C@H](C)CCn1cccn1 ZINC000449679925 564195919 /nfs/dbraw/zinc/19/59/19/564195919.db2.gz IXZNKGOXXLUYMI-HUUCEWRRSA-N 1 0 396.329 2.874 20 0 GFADRO CC[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000506111373 564196338 /nfs/dbraw/zinc/19/63/38/564196338.db2.gz DAOABEMAHCPKML-WMLDXEAASA-N 1 0 376.328 2.926 20 0 GFADRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)Cc1cc2c(cc1Br)OCCO2 ZINC000563535676 564196667 /nfs/dbraw/zinc/19/66/67/564196667.db2.gz OVIKTCQAVIGAFY-AWEZNQCLSA-N 1 0 385.302 2.595 20 0 GFADRO CC1(C)C[NH2+]CC[C@H]1NC(=O)COc1ccc(Br)cc1Cl ZINC000449696288 564196686 /nfs/dbraw/zinc/19/66/86/564196686.db2.gz KFPABOJRXMLHBZ-CYBMUJFWSA-N 1 0 375.694 2.986 20 0 GFADRO CCn1nnc(C)c1C[NH2+]C[C@@H](CO)Cc1cccc(Br)c1C ZINC000449685300 564197214 /nfs/dbraw/zinc/19/72/14/564197214.db2.gz SALUFVDWBDQMQS-AWEZNQCLSA-N 1 0 381.318 2.618 20 0 GFADRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)Cc2ccc(Br)cc2)C1 ZINC000471550164 564197853 /nfs/dbraw/zinc/19/78/53/564197853.db2.gz HEZUIIONKMYKIX-QGZVFWFLSA-N 1 0 383.330 2.951 20 0 GFADRO C[C@H](Oc1ccc(F)cc1Br)C(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000449714471 564198016 /nfs/dbraw/zinc/19/80/16/564198016.db2.gz CEPKCVUXZDXJNR-CPCISQLKSA-N 1 0 387.171 2.751 20 0 GFADRO O=C(NCCOc1ncc(Cl)cc1Cl)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000563585842 564198007 /nfs/dbraw/zinc/19/80/07/564198007.db2.gz PVWVBLLGHKEWKF-HNNXBMFYSA-N 1 0 387.311 2.941 20 0 GFADRO CC1(C)C[NH2+]CC[C@H]1NC(=O)c1cc(F)c(F)cc1I ZINC000449708838 564198175 /nfs/dbraw/zinc/19/81/75/564198175.db2.gz WSHMGKILEFADLH-GFCCVEGCSA-N 1 0 394.203 2.687 20 0 GFADRO [NH3+]CC[C@H](NC(=O)c1cnn(-c2cccc(Br)c2)c1)C(F)(F)F ZINC000449723118 564198737 /nfs/dbraw/zinc/19/87/37/564198737.db2.gz QQNVQRXMXZSPGO-LBPRGKRZSA-N 1 0 391.191 2.644 20 0 GFADRO [NH3+]C[C@@H]1CC[C@H](NC(=O)c2ccc(I)cc2Cl)C1 ZINC000449725461 564198786 /nfs/dbraw/zinc/19/87/86/564198786.db2.gz ZUWRFZPAMUOVRS-SCZZXKLOSA-N 1 0 378.641 2.802 20 0 GFADRO CCO[C@@H]1COC[C@H]1[NH2+]Cc1cc(Br)cc(Br)c1N ZINC000449727441 564199231 /nfs/dbraw/zinc/19/92/31/564199231.db2.gz PVSMCCOFPYEQKQ-VXGBXAGGSA-N 1 0 394.107 2.687 20 0 GFADRO Cc1ccc(C(=O)N[C@H](CC[NH3+])C(F)(F)F)cc1I ZINC000449726144 564199272 /nfs/dbraw/zinc/19/92/72/564199272.db2.gz WURSXODAEUYKFP-SNVBAGLBSA-N 1 0 386.155 2.609 20 0 GFADRO [NH3+]C[C@H]1CC[C@@H](NC(=O)c2nn(-c3ccc(F)cc3)cc2Br)C1 ZINC000449729494 564199336 /nfs/dbraw/zinc/19/93/36/564199336.db2.gz ZWRCLHMDIYPAAK-CMPLNLGQSA-N 1 0 381.249 2.631 20 0 GFADRO [NH3+]CC[C@H](NC(=O)CCSc1ccc2c(c1)OCCCO2)C(F)(F)F ZINC000449729527 564199871 /nfs/dbraw/zinc/19/98/71/564199871.db2.gz NDFUGBLALHXPOV-AWEZNQCLSA-N 1 0 378.416 2.726 20 0 GFADRO [NH3+]CC[C@@H](NC(=O)C1=Cc2cc(Br)ccc2OC1)C(F)(F)F ZINC000449726080 564199924 /nfs/dbraw/zinc/19/99/24/564199924.db2.gz WLCXNVNTNNXXHY-GFCCVEGCSA-N 1 0 379.176 2.621 20 0 GFADRO O=S(=O)(NC1CC[NH+](Cc2cccc3c[nH]nc32)CC1)c1cccs1 ZINC000506322446 564200866 /nfs/dbraw/zinc/20/08/66/564200866.db2.gz BHKFKWFYSVPHLE-UHFFFAOYSA-N 1 0 376.507 2.567 20 0 GFADRO COc1cc(C[N@H+](C)[C@H]2CCCOC2)cc(I)c1OC ZINC000563658740 564201210 /nfs/dbraw/zinc/20/12/10/564201210.db2.gz YNPIWNZGLVCEAW-LBPRGKRZSA-N 1 0 391.249 2.919 20 0 GFADRO CC[NH+]1CCN(c2ccc(C(=O)NCCSCC(F)(F)F)cc2)CC1 ZINC000538807746 564201547 /nfs/dbraw/zinc/20/15/47/564201547.db2.gz AAFVSZTXSODQIN-UHFFFAOYSA-N 1 0 375.460 2.854 20 0 GFADRO C[NH+](C)CCOCCNC(=O)NCC(C)(C)c1cccc(Br)c1 ZINC000471655433 564201679 /nfs/dbraw/zinc/20/16/79/564201679.db2.gz WGCOBCBCFQQXDE-UHFFFAOYSA-N 1 0 386.334 2.604 20 0 GFADRO CN(C)C(=O)CC[NH+]1CCN(c2ccnc3c(Br)cccc23)CC1 ZINC000471685477 564202517 /nfs/dbraw/zinc/20/25/17/564202517.db2.gz AWXZQPHBQJYDJA-UHFFFAOYSA-N 1 0 391.313 2.598 20 0 GFADRO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)CN1CC[N@H+](C)[C@@H](C)[C@H]1C ZINC000538943363 564206421 /nfs/dbraw/zinc/20/64/21/564206421.db2.gz RGCVLAZPPSHDNO-WDEREUQCSA-N 1 0 388.295 2.743 20 0 GFADRO C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)C)c1ccc(Br)cn1 ZINC000563800756 564207638 /nfs/dbraw/zinc/20/76/38/564207638.db2.gz IBUMZBZTXGVRPL-WWTUQBGBSA-N 1 0 395.345 2.578 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)c2ccc(I)cc2F)CC[N@@H+]1C ZINC000449939312 564210111 /nfs/dbraw/zinc/21/01/11/564210111.db2.gz IQNOHKSTCWZSGH-KOLCDFICSA-N 1 0 376.213 2.643 20 0 GFADRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1cn2ccc(Br)cc2n1 ZINC000506737054 564211053 /nfs/dbraw/zinc/21/10/53/564211053.db2.gz WHPQFJZORZYVLJ-STQMWFEESA-N 1 0 379.302 2.947 20 0 GFADRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1c(Br)cnn1C ZINC000449999200 564213414 /nfs/dbraw/zinc/21/34/14/564213414.db2.gz LDYDQAYBLLAMHJ-HNNXBMFYSA-N 1 0 391.313 2.777 20 0 GFADRO COC[C@H](O)C[N@H+](Cc1cccc(Br)c1)CC1(O)CCCCC1 ZINC000472164352 564214491 /nfs/dbraw/zinc/21/44/91/564214491.db2.gz SWCVOXXLAGAJDC-QGZVFWFLSA-N 1 0 386.330 2.954 20 0 GFADRO C[C@H]1CSc2ccc(Br)cc2[C@@H]1[NH2+]CCCNS(C)(=O)=O ZINC000539306803 564215910 /nfs/dbraw/zinc/21/59/10/564215910.db2.gz RBNIVQBLDQHUJG-IINYFYTJSA-N 1 0 393.372 2.761 20 0 GFADRO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)c2ccc(I)cc2F)C1 ZINC000450097009 564216690 /nfs/dbraw/zinc/21/66/90/564216690.db2.gz LRLMINROCFKUGF-IINYFYTJSA-N 1 0 390.240 2.889 20 0 GFADRO COc1ccc(S(=O)(=O)NC2CC[NH+](CCOC(C)C)CC2)c(Cl)c1 ZINC000564088362 564219313 /nfs/dbraw/zinc/21/93/13/564219313.db2.gz NGIJZLRJIBYFDK-UHFFFAOYSA-N 1 0 390.933 2.516 20 0 GFADRO C[C@H]1[NH2+]CC[C@@H]1C(=O)NCC1(c2ccc(Br)cc2)CCOCC1 ZINC000564080112 564219505 /nfs/dbraw/zinc/21/95/05/564219505.db2.gz YFQSLIASDOQTIX-CJNGLKHVSA-N 1 0 381.314 2.612 20 0 GFADRO C[N@H+]1CC=C(CNC(=O)c2ccc(-n3cc(Br)cn3)cc2)CC1 ZINC000539444153 564220171 /nfs/dbraw/zinc/22/01/71/564220171.db2.gz GESZEKYJJUKSLU-UHFFFAOYSA-N 1 0 375.270 2.627 20 0 GFADRO C[C@H]([NH2+][C@@H]1CSC[C@H]1C)C(=O)Nc1ccc(I)cc1 ZINC000507210835 564221540 /nfs/dbraw/zinc/22/15/40/564221540.db2.gz KZTBTAQCBKXZEN-GBIKHYSHSA-N 1 0 390.290 2.959 20 0 GFADRO Cc1nc(N[C@H](C)C[NH+]2CCN(c3ccccn3)CC2)ccc1Br ZINC000564140955 564222193 /nfs/dbraw/zinc/22/21/93/564222193.db2.gz LQFKLHUPLQZNPI-CQSZACIVSA-N 1 0 390.329 3.170 20 0 GFADRO CC[C@H]1CN(c2ncnc3cc(Br)ccc32)CC[N@@H+]1C[C@H](C)O ZINC000450311206 564226488 /nfs/dbraw/zinc/22/64/88/564226488.db2.gz GUQSXDIPRFBGMF-JSGCOSHPSA-N 1 0 379.302 2.674 20 0 GFADRO CC[C@@H]1CN(c2ncnc3cc(Br)ccc32)CC[N@@H+]1C[C@H](C)O ZINC000450311205 564226687 /nfs/dbraw/zinc/22/66/87/564226687.db2.gz GUQSXDIPRFBGMF-GXTWGEPZSA-N 1 0 379.302 2.674 20 0 GFADRO C[C@@H](O)C[N@@H+]1CCN(c2ncc(Br)cc2C(F)(F)F)C[C@H]1C ZINC000450316310 564226989 /nfs/dbraw/zinc/22/69/89/564226989.db2.gz YVWFCKCVQOSTKY-NXEZZACHSA-N 1 0 382.224 2.754 20 0 GFADRO CC[NH+](CC)CCO[C@@H]1CCN(c2ccc(I)cn2)C1 ZINC000450363425 564229738 /nfs/dbraw/zinc/22/97/38/564229738.db2.gz JBWAOLDDMZRTDD-CQSZACIVSA-N 1 0 389.281 2.623 20 0 GFADRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)C(=O)Nc1ccc(Br)c(F)c1 ZINC000507624918 564235209 /nfs/dbraw/zinc/23/52/09/564235209.db2.gz MOZBMGNSBDAYEJ-DGCLKSJQSA-N 1 0 398.276 2.612 20 0 GFADRO CC[C@H](C)[NH2+][C@H](CNS(=O)(=O)c1cccc2nsnc21)c1ccco1 ZINC000564478406 564235691 /nfs/dbraw/zinc/23/56/91/564235691.db2.gz SVRLLMBXPYLEKM-WCQYABFASA-N 1 0 380.495 2.692 20 0 GFADRO Cc1c(Br)cccc1NC(=O)C(=O)N1C[C@H]([NH+]2CCCC2)C[C@H]1C ZINC000507639715 564236245 /nfs/dbraw/zinc/23/62/45/564236245.db2.gz GHMBKOLNTDUQKB-TZMCWYRMSA-N 1 0 394.313 2.781 20 0 GFADRO CS[C@@H]1CN(C(=O)CCOc2ccccc2Br)C[C@@H]1[NH+](C)C ZINC000540126113 564239941 /nfs/dbraw/zinc/23/99/41/564239941.db2.gz KELPZSCVBUDEPK-DZGCQCFKSA-N 1 0 387.343 2.722 20 0 GFADRO O=S1(=O)CCO[C@@H](C[NH2+][C@H]2CCCOc3c(Cl)c(Cl)ccc32)C1 ZINC000540162207 564240813 /nfs/dbraw/zinc/24/08/13/564240813.db2.gz FGHOTHHCMIQMCT-GWCFXTLKSA-N 1 0 380.293 2.610 20 0 GFADRO CC[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc(S(=O)(=O)NC)c1)c1cccs1 ZINC000540175597 564241101 /nfs/dbraw/zinc/24/11/01/564241101.db2.gz SSVOAXBZMPAUKV-SWLSCSKDSA-N 1 0 381.523 2.724 20 0 GFADRO O=C(C[NH2+][C@H](c1ccc(Cl)c(C(F)(F)F)c1)C1CC1)N1CCNC1=O ZINC000540519866 564250541 /nfs/dbraw/zinc/25/05/41/564250541.db2.gz OUKDOYQDLTWJTH-AWEZNQCLSA-N 1 0 375.778 2.951 20 0 GFADRO Cc1ncc(C[NH2+]C[C@H](O)COc2cc(F)cc(Br)c2)s1 ZINC000564846236 564251569 /nfs/dbraw/zinc/25/15/69/564251569.db2.gz JGWDQGUOUBQLLJ-LBPRGKRZSA-N 1 0 375.263 2.883 20 0 GFADRO Cc1ccc(I)c(C(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC000564838989 564251739 /nfs/dbraw/zinc/25/17/39/564251739.db2.gz PAEWQQQSRRXOHJ-INIZCTEOSA-N 1 0 384.261 2.815 20 0 GFADRO O=C1[C@@H]([NH2+]C[C@@H]2CN(C3CC3)CCO2)CCN1c1ccc(Cl)cc1Cl ZINC000473679604 564252331 /nfs/dbraw/zinc/25/23/31/564252331.db2.gz UORPDIUORKHHRF-ZBFHGGJFSA-N 1 0 384.307 2.552 20 0 GFADRO C[N@H+](C[C@@H](O)CNCc1cc(Br)ccc1OC(F)F)C1CC1 ZINC000564848245 564252840 /nfs/dbraw/zinc/25/28/40/564252840.db2.gz KXLYGTGPPNEZHK-ZDUSSCGKSA-N 1 0 379.245 2.595 20 0 GFADRO CCOC(=O)CC[C@@H](O)C[NH2+]CCc1ccc(Br)cc1Cl ZINC000564859361 564253638 /nfs/dbraw/zinc/25/36/38/564253638.db2.gz GNMUSHYYEXAYCS-CYBMUJFWSA-N 1 0 378.694 2.939 20 0 GFADRO O[C@H](C[NH2+]CCc1c[nH]c2ccc(Br)cc12)COC1CCOCC1 ZINC000564873419 564253684 /nfs/dbraw/zinc/25/36/84/564253684.db2.gz NRIQJOUTCZSRBB-OAHLLOKOSA-N 1 0 397.313 2.619 20 0 GFADRO CC(C)N(C)C[C@H](C)[NH2+]C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000564870246 564253903 /nfs/dbraw/zinc/25/39/03/564253903.db2.gz YYWWGCOMULVAHJ-WFASDCNBSA-N 1 0 377.298 2.646 20 0 GFADRO CCN(CCC[NH+]1CCCC1)C(=O)c1cc(Br)cnc1N(C)C ZINC000508205750 564257991 /nfs/dbraw/zinc/25/79/91/564257991.db2.gz LPXOILXYTKCRMD-UHFFFAOYSA-N 1 0 383.334 2.858 20 0 GFADRO C[C@@H](NC(=O)N[C@@H](C)C[C@H](C)[NH3+])c1cc2c(cc1Br)OCCO2 ZINC000564938899 564258350 /nfs/dbraw/zinc/25/83/50/564258350.db2.gz VWUPLMOFIVRJJD-GARJFASQSA-N 1 0 386.290 2.706 20 0 GFADRO Cc1cc(COc2ccc(C(=O)N[C@H](C)[C@H](C)[NH3+])cc2Br)on1 ZINC000564957474 564258731 /nfs/dbraw/zinc/25/87/31/564258731.db2.gz KGSWAYGQELVGTA-WDEREUQCSA-N 1 0 382.258 2.790 20 0 GFADRO COc1cc(Br)c(S(=O)(=O)N[C@@H](C)CCC[NH3+])cc1Cl ZINC000564966212 564259706 /nfs/dbraw/zinc/25/97/06/564259706.db2.gz CZYSLVPTIAQLJG-QMMMGPOBSA-N 1 0 385.711 2.517 20 0 GFADRO O=S(=O)(CCCC(F)(F)F)NC[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1 ZINC000564966361 564259858 /nfs/dbraw/zinc/25/98/58/564259858.db2.gz ISLOJONAPFWYDT-HIFRSBDPSA-N 1 0 382.423 2.781 20 0 GFADRO Cc1ccc(Br)cc1CC(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000450988764 564259948 /nfs/dbraw/zinc/25/99/48/564259948.db2.gz PCKKOSODPOZFQA-AWEZNQCLSA-N 1 0 383.330 2.604 20 0 GFADRO [NH3+]CC[C@@H]1CCCCN1S(=O)(=O)c1cccc(Br)c1Cl ZINC000564966208 564260170 /nfs/dbraw/zinc/26/01/70/564260170.db2.gz CHHPYWZNMIVQKD-JTQLQIEISA-N 1 0 381.723 2.995 20 0 GFADRO CN(CCC(=O)NCC(=O)Nc1cc(Cl)ccc1Cl)c1cc[nH+]cc1 ZINC000540928965 564260164 /nfs/dbraw/zinc/26/01/64/564260164.db2.gz GGYPKKUXNPNOQJ-UHFFFAOYSA-N 1 0 381.263 2.970 20 0 GFADRO CCn1ccc(C(=O)Nc2cc(Br)ccc2N2CC[NH+](C)CC2)n1 ZINC000564996231 564262169 /nfs/dbraw/zinc/26/21/69/564262169.db2.gz MHMBWMOFWHKXOJ-UHFFFAOYSA-N 1 0 392.301 2.670 20 0 GFADRO O=C([C@@H]1CCCCC[NH2+]1)N1CCN(Cc2ccc(Br)s2)CC1 ZINC000565030434 564262798 /nfs/dbraw/zinc/26/27/98/564262798.db2.gz NLODITNDBZNVAI-AWEZNQCLSA-N 1 0 386.359 2.687 20 0 GFADRO O=C(Nc1cc(Br)c[nH]c1=O)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000565035479 564263184 /nfs/dbraw/zinc/26/31/84/564263184.db2.gz OIZFNBDPKXIDGO-GFCCVEGCSA-N 1 0 386.315 2.706 20 0 GFADRO Cc1ncsc1CCS(=O)(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000451021724 564263677 /nfs/dbraw/zinc/26/36/77/564263677.db2.gz FCFDWHCROSOSEM-KRWDZBQOSA-N 1 0 379.551 2.751 20 0 GFADRO Cc1cccc(OC[C@H](O)C[NH2+][C@H](CO)c2ccc(Br)cc2)c1 ZINC000541053215 564264771 /nfs/dbraw/zinc/26/47/71/564264771.db2.gz HSABLESKMJWIPT-SJLPKXTDSA-N 1 0 380.282 2.820 20 0 GFADRO C[C@](CO)([NH2+]C[C@@H](O)COc1cc(Cl)ccc1Cl)c1cccc(O)c1 ZINC000451035982 564265619 /nfs/dbraw/zinc/26/56/19/564265619.db2.gz HGGCPRFEXLYFHN-CRAIPNDOSA-N 1 0 386.275 2.936 20 0 GFADRO CCC[C@@H]([NH2+]C(C)C)C(=O)NC[C@@H](CO)Cc1ccc(Br)cc1 ZINC000508548775 564266172 /nfs/dbraw/zinc/26/61/72/564266172.db2.gz PJDQNKXDCZRKNZ-DOTOQJQBSA-N 1 0 385.346 2.883 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)c2[nH]c3ccccc3c2Br)CC12CCOCC2 ZINC000565151150 564267445 /nfs/dbraw/zinc/26/74/45/564267445.db2.gz ODAKKDAQABZUPE-LBPRGKRZSA-N 1 0 392.297 2.758 20 0 GFADRO CN(C(=O)CCC[S@](=O)c1ccc(Br)cc1)C1(C[NH3+])CCC1 ZINC000565157806 564268830 /nfs/dbraw/zinc/26/88/30/564268830.db2.gz SGOCJWONRAADER-QFIPXVFZSA-N 1 0 387.343 2.677 20 0 GFADRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)COc1cc(Cl)cc(Cl)c1 ZINC000474209337 564269349 /nfs/dbraw/zinc/26/93/49/564269349.db2.gz ISAVQCZQXHEONR-LBPRGKRZSA-N 1 0 375.296 2.676 20 0 GFADRO O=C(N[C@@H]1COc2cc(F)c(Br)cc21)N1CC[NH+](CC2CC2)CC1 ZINC000508657960 564269314 /nfs/dbraw/zinc/26/93/14/564269314.db2.gz FSJIQYOPVRVWMO-OAHLLOKOSA-N 1 0 398.276 2.759 20 0 GFADRO O=C1NCC[C@H]1CC[N@H+]1CC[C@@H](Cc2cccc(I)c2)C1 ZINC000565171409 564269837 /nfs/dbraw/zinc/26/98/37/564269837.db2.gz LSJZGOBJSDRSIX-GJZGRUSLSA-N 1 0 398.288 2.682 20 0 GFADRO CCC[N@@H+]1CC[C@@H](CNC(=O)NCCOc2ncc(Cl)cc2Cl)C1 ZINC000474258009 564272565 /nfs/dbraw/zinc/27/25/65/564272565.db2.gz IXLWVTJDWQPQMN-LBPRGKRZSA-N 1 0 375.300 2.798 20 0 GFADRO C[NH+](C)[C@@H](CNS(=O)(=O)CCc1cccc(Cl)c1)Cc1ccccc1 ZINC000508914657 564276034 /nfs/dbraw/zinc/27/60/34/564276034.db2.gz KKVPJQFXFSTMEK-LJQANCHMSA-N 1 0 380.941 2.975 20 0 GFADRO CCC[N@H+](C)[C@H](CNC(=O)NC[C@@]1(O)CCSC1)c1ccc(Cl)cc1 ZINC000509051133 564280066 /nfs/dbraw/zinc/28/00/66/564280066.db2.gz OEXMTGPLPXWBFA-AEFFLSMTSA-N 1 0 385.961 2.890 20 0 GFADRO O=S(=O)(Cc1ccccc1Br)NC1CC[NH+](CC2CC2)CC1 ZINC000565413800 564280046 /nfs/dbraw/zinc/28/00/46/564280046.db2.gz MADCGVOHKOAQRR-UHFFFAOYSA-N 1 0 387.343 2.743 20 0 GFADRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(=O)NCc1cccc(Cl)c1Cl ZINC000565436487 564280499 /nfs/dbraw/zinc/28/04/99/564280499.db2.gz SEULQUXAQHKUDS-AWEZNQCLSA-N 1 0 386.323 2.942 20 0 GFADRO COCCOc1c(Cl)cc(S(=O)(=O)NC2(C[NH3+])CCCC2)cc1Cl ZINC000565480853 564282832 /nfs/dbraw/zinc/28/28/32/564282832.db2.gz ZGNHQNZBLRARGG-UHFFFAOYSA-N 1 0 397.324 2.568 20 0 GFADRO CCOC(=O)c1coc(C[NH2+]CCNC(=O)c2ccc(Br)cc2)c1 ZINC000474625596 564283143 /nfs/dbraw/zinc/28/31/43/564283143.db2.gz BRXVEUPGOUTOAK-UHFFFAOYSA-N 1 0 395.253 2.738 20 0 GFADRO CCC[C@H]([NH2+]C(C)C)C(=O)N[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000509186618 564284954 /nfs/dbraw/zinc/28/49/54/564284954.db2.gz SBAMDOUDJDKAEA-HOTGVXAUSA-N 1 0 396.329 2.837 20 0 GFADRO CC(C)OCC[C@@H](O)C[NH2+][C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000565535547 564285228 /nfs/dbraw/zinc/28/52/28/564285228.db2.gz NSYICXMWYAFBAL-CZUORRHYSA-N 1 0 375.296 2.864 20 0 GFADRO CCN(CC(=O)NCc1cccs1)C(=O)C[NH2+]C(C)(C)c1cccs1 ZINC000541640570 564285375 /nfs/dbraw/zinc/28/53/75/564285375.db2.gz SETLVTJNBFTQFF-UHFFFAOYSA-N 1 0 379.551 2.799 20 0 GFADRO CCOC(=O)c1coc(C[NH2+]CCNC(=O)c2cccc(Br)c2)c1 ZINC000474706947 564286711 /nfs/dbraw/zinc/28/67/11/564286711.db2.gz CGHDTZDCEMBDNF-UHFFFAOYSA-N 1 0 395.253 2.738 20 0 GFADRO [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)C1=Cc2cc(Br)ccc2OC1 ZINC000565598140 564288047 /nfs/dbraw/zinc/28/80/47/564288047.db2.gz YNHQQWBCQYTDJQ-BYLKNLIBSA-N 1 0 377.282 2.857 20 0 GFADRO C[C@@H](CCc1ccc(I)cc1)[NH2+]CCC[S@](C)=O ZINC000474810862 564290142 /nfs/dbraw/zinc/29/01/42/564290142.db2.gz PZNCCEQSLKHFNS-SGTLLEGYSA-N 1 0 379.307 2.971 20 0 GFADRO C[C@@H]1CC[N@H+](C)CCN1S(=O)(=O)Cc1cc(Cl)ccc1Br ZINC000565654685 564290385 /nfs/dbraw/zinc/29/03/85/564290385.db2.gz SCKKWLKCQISPDG-LLVKDONJSA-N 1 0 395.750 2.958 20 0 GFADRO C[C@@H](C(=O)Nc1ccc(I)cc1)[N@H+](C)CC(C)(C)CO ZINC000451245371 564290760 /nfs/dbraw/zinc/29/07/60/564290760.db2.gz IAPVAKJYXLCNFC-NSHDSACASA-N 1 0 390.265 2.569 20 0 GFADRO CC(C)[N@@H+]1CCCN(C(=O)c2cc(I)ccc2F)CC1 ZINC000474857097 564290979 /nfs/dbraw/zinc/29/09/79/564290979.db2.gz BDDCRKOQRSKIIM-UHFFFAOYSA-N 1 0 390.240 2.987 20 0 GFADRO COC(=O)c1cc(Cl)c(C)c(S(=O)(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000451242727 564291124 /nfs/dbraw/zinc/29/11/24/564291124.db2.gz OCUWHOKITNGHII-FZMZJTMJSA-N 1 0 388.917 2.538 20 0 GFADRO C[C@H]([NH2+]CCNS(=O)(=O)c1cccnc1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000474874726 564291705 /nfs/dbraw/zinc/29/17/05/564291705.db2.gz ZAMWLZVYXMNQNG-FPMFFAJLSA-N 1 0 385.942 2.857 20 0 GFADRO CNC(=O)C(C)(C)C[NH2+][C@@H](C)CCc1ccc(I)cc1 ZINC000474891444 564293250 /nfs/dbraw/zinc/29/32/50/564293250.db2.gz NEUQWTXAIDENMZ-LBPRGKRZSA-N 1 0 388.293 2.974 20 0 GFADRO CC(C)[C@H]1C[C@H]([NH2+]CCNS(=O)(=O)c2ccc(F)cc2Cl)CCO1 ZINC000509411533 564297669 /nfs/dbraw/zinc/29/76/69/564297669.db2.gz UQTLYXOQDGZBLY-UKRRQHHQSA-N 1 0 378.897 2.551 20 0 GFADRO OC[C@@H]([NH2+]Cc1ccc(OC(F)(F)F)c(Br)c1)[C@H]1CCCO1 ZINC000475225618 564303739 /nfs/dbraw/zinc/30/37/39/564303739.db2.gz WKIYFUKDXLRKQU-DGCLKSJQSA-N 1 0 384.192 2.977 20 0 GFADRO C[C@@H]([N@H+](C)C[C@H](O)COc1ccc(Cl)cc1Br)C(C)(C)O ZINC000451356248 564304477 /nfs/dbraw/zinc/30/44/77/564304477.db2.gz AMODCKBTTBKKPK-PWSUYJOCSA-N 1 0 380.710 2.933 20 0 GFADRO C[C@H](C[NH2+]CC1(c2cccc(Br)c2)CCOCC1)S(C)(=O)=O ZINC000565992540 564304664 /nfs/dbraw/zinc/30/46/64/564304664.db2.gz MVFNRNLXXQKPLG-CYBMUJFWSA-N 1 0 390.343 2.520 20 0 GFADRO O=C(CN1CCSC[C@H]1CO)N[C@H](c1cccs1)c1ccc(F)cc1 ZINC000542268953 564307393 /nfs/dbraw/zinc/30/73/93/564307393.db2.gz XCBKRNQOXXOQTC-QAPCUYQASA-N 1 0 380.510 2.503 20 0 GFADRO O[C@H](COc1ccc(Cl)cc1Br)C[N@@H+]1C[C@@H]2CC[C@@H](O)[C@H]2C1 ZINC000542251582 564308039 /nfs/dbraw/zinc/30/80/39/564308039.db2.gz FPUILTQRVMXQKQ-GZCFXPHUSA-N 1 0 390.705 2.545 20 0 GFADRO C[C@@H](Cc1ccccc1Br)NC(=O)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000566087717 564308374 /nfs/dbraw/zinc/30/83/74/564308374.db2.gz GFXXQFHUBDYVIJ-XJKSGUPXSA-N 1 0 391.313 2.931 20 0 GFADRO CS(=O)(=O)C1(C[NH2+]Cc2cnn(-c3ccc(Br)cc3)c2)CCC1 ZINC000475437924 564308644 /nfs/dbraw/zinc/30/86/44/564308644.db2.gz AKHLKOWBUQDTPK-UHFFFAOYSA-N 1 0 398.326 2.692 20 0 GFADRO NC(=O)[C@H]([NH2+]C1CCN(c2ccccn2)CC1)c1cccc(Br)c1 ZINC000475432159 564308822 /nfs/dbraw/zinc/30/88/22/564308822.db2.gz XRYWMELLNFQBRP-QGZVFWFLSA-N 1 0 389.297 2.629 20 0 GFADRO COC[C@@H](Cc1ccccc1)[NH2+][C@@H](C(N)=O)c1cccc(Br)c1 ZINC000475447949 564309079 /nfs/dbraw/zinc/30/90/79/564309079.db2.gz VTEFPRDGBIVSDU-IAGOWNOFSA-N 1 0 377.282 2.823 20 0 GFADRO CCOc1ncccc1C[NH2+]C[C@H](O)COc1ccc(Br)cc1 ZINC000566105989 564309309 /nfs/dbraw/zinc/30/93/09/564309309.db2.gz DAJFBSYXKMOKPJ-HNNXBMFYSA-N 1 0 381.270 2.772 20 0 GFADRO O=C(NC1(c2c(Cl)cccc2Cl)CC1)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000566094558 564309322 /nfs/dbraw/zinc/30/93/22/564309322.db2.gz CGLLVBGZHJQHGD-LLVKDONJSA-N 1 0 380.279 2.929 20 0 GFADRO CC(C)[N@@H+]1CCC[C@@H](NS(=O)(=O)Cc2ccc(Br)c(F)c2)C1 ZINC000451408110 564310556 /nfs/dbraw/zinc/31/05/56/564310556.db2.gz YJYJTULIADJFHI-CYBMUJFWSA-N 1 0 393.322 2.880 20 0 GFADRO Cc1ccc(NC(=O)[C@@H](C)N2CC[C@@H](c3nnc[nH]3)C2)c(Br)c1 ZINC000566138172 564311699 /nfs/dbraw/zinc/31/16/99/564311699.db2.gz COSMFTPEUUNXSK-VXGBXAGGSA-N 1 0 378.274 2.692 20 0 GFADRO COc1ccc(Br)cc1CNC(=O)[C@]1([NH3+])[C@H]2CCCO[C@@H]2C1(C)C ZINC000566170471 564313658 /nfs/dbraw/zinc/31/36/58/564313658.db2.gz FTTBFORUYAIDNQ-DHSIGJKJSA-N 1 0 397.313 2.606 20 0 GFADRO CC[NH+](CC)[C@H](CNS(=O)(=O)NC1CC1)c1ccc(C(F)(F)F)cc1 ZINC000475594475 564313686 /nfs/dbraw/zinc/31/36/86/564313686.db2.gz YNMQNFWPNYTOQU-OAHLLOKOSA-N 1 0 379.448 2.675 20 0 GFADRO CCCOc1c(Br)cc(C[N@@H+]2CC[C@](C)(C(N)=O)C2)cc1OC ZINC000475671942 564315410 /nfs/dbraw/zinc/31/54/10/564315410.db2.gz KMCOIWVSJLGUSG-KRWDZBQOSA-N 1 0 385.302 2.944 20 0 GFADRO C[C@@H]([NH2+]CC(=O)N(C)Cc1cc(Br)cs1)[C@@H]1CCCOC1 ZINC000542579061 564317925 /nfs/dbraw/zinc/31/79/25/564317925.db2.gz WBQIKPWIIWTIFM-VXGBXAGGSA-N 1 0 375.332 2.874 20 0 GFADRO OC[C@@H](C[NH2+]C[C@H](O)Cc1ccc(F)cc1)Cc1ccccc1Br ZINC000566231159 564317907 /nfs/dbraw/zinc/31/79/07/564317907.db2.gz LQCRWMOFCBSSJC-CRAIPNDOSA-N 1 0 396.300 2.932 20 0 GFADRO COCC(C)(C)C(=O)Nc1ccc(CN2CC[NH+](C)CC2)c(Br)c1 ZINC000475762705 564318060 /nfs/dbraw/zinc/31/80/60/564318060.db2.gz OASXQNJXOZWWBZ-UHFFFAOYSA-N 1 0 398.345 2.808 20 0 GFADRO CN(C1CC([NH3+])C1)S(=O)(=O)c1ccc(Br)c(C(F)(F)F)c1 ZINC000566224527 564318403 /nfs/dbraw/zinc/31/84/03/564318403.db2.gz SNYFCGUCLLQXPK-UHFFFAOYSA-N 1 0 387.221 2.578 20 0 GFADRO CCOCCOc1ccc(Br)cc1CN1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000566230182 564318476 /nfs/dbraw/zinc/31/84/76/564318476.db2.gz PHNFYAWGJLZRQS-ZBFHGGJFSA-N 1 0 383.330 2.906 20 0 GFADRO C[C@H](C[C@H](C)[NH3+])NC(=O)Nc1ccnn1Cc1ccccc1Br ZINC000566228267 564318538 /nfs/dbraw/zinc/31/85/38/564318538.db2.gz CXRRLQIUHVPDQE-NWDGAFQWSA-N 1 0 380.290 2.941 20 0 GFADRO CC[C@H]1[NH2+]CC[C@H]1C(=O)NC1(c2ccc(Br)cc2)CCOCC1 ZINC000566246683 564318981 /nfs/dbraw/zinc/31/89/81/564318981.db2.gz JTDQDTQEAUQPGV-HZPDHXFCSA-N 1 0 381.314 2.959 20 0 GFADRO COC(=O)c1cc(Cl)c(C)c(S(=O)(=O)N(C)CCC[NH+]2CCCC2)c1 ZINC000451500156 564319678 /nfs/dbraw/zinc/31/96/78/564319678.db2.gz ZPLLPDJKIXVJJP-UHFFFAOYSA-N 1 0 388.917 2.541 20 0 GFADRO CSc1cccc(S(=O)(=O)NCc2ccc(OCC[NH+](C)C)cc2)c1 ZINC000509979712 564320582 /nfs/dbraw/zinc/32/05/82/564320582.db2.gz QQOAVGUGMBSSQN-UHFFFAOYSA-N 1 0 380.535 2.827 20 0 GFADRO CC(C)[N@H+](C)C[C@@H](C)NS(=O)(=O)Cc1ccc(Br)c(F)c1 ZINC000451570855 564326444 /nfs/dbraw/zinc/32/64/44/564326444.db2.gz QLEHXWFURDEPCU-LLVKDONJSA-N 1 0 381.311 2.736 20 0 GFADRO CC[NH+]1CCC(NC(=O)CN2CC[C@H](c3cccc(Br)c3)C2)CC1 ZINC000451567102 564326930 /nfs/dbraw/zinc/32/69/30/564326930.db2.gz KOZSKJSBSVLLGG-INIZCTEOSA-N 1 0 394.357 2.839 20 0 GFADRO Cc1nc2ccc(Br)cn2c1C(=O)N1CC[N@@H+](C)C[C@@H]1C(C)C ZINC000476090271 564327214 /nfs/dbraw/zinc/32/72/14/564327214.db2.gz JNNDUZHLSXMVGM-CQSZACIVSA-N 1 0 379.302 2.817 20 0 GFADRO Cn1ccnc1[C@@H]1CC[N@H+](Cc2nnc(-c3ccc(Br)o3)o2)C1 ZINC000542822694 564327455 /nfs/dbraw/zinc/32/74/55/564327455.db2.gz GSHNJCPOHBJYIY-SNVBAGLBSA-N 1 0 378.230 2.815 20 0 GFADRO Cn1cc(N2CC[C@@H](N3CC[C@H](c4cccc(Br)c4)C3)C2=O)cn1 ZINC000451575390 564327829 /nfs/dbraw/zinc/32/78/29/564327829.db2.gz XRXBZBXCFFZTJP-WMLDXEAASA-N 1 0 389.297 2.777 20 0 GFADRO C[NH+](C)C[C@H]1CCCN1C(=O)c1cc(F)ccc1I ZINC000476189180 564329531 /nfs/dbraw/zinc/32/95/31/564329531.db2.gz KKBHEBWXRDTZOJ-LLVKDONJSA-N 1 0 376.213 2.597 20 0 GFADRO CO[C@H]1C[C@@H](CN(C)C(=O)c2cc3c(Br)cccc3cn2)[N@H+](C)C1 ZINC000451607686 564330907 /nfs/dbraw/zinc/33/09/07/564330907.db2.gz QCAPIRFPAKMSCR-KBPBESRZSA-N 1 0 392.297 2.788 20 0 GFADRO C[N@@H+]1CC[C@@H]2OCCN(C(=O)c3cc4c(ccc(F)c4Br)[nH]3)[C@H]2C1 ZINC000451617921 564332170 /nfs/dbraw/zinc/33/21/70/564332170.db2.gz VDZBDJCGXBGLHO-GJZGRUSLSA-N 1 0 396.260 2.615 20 0 GFADRO C[C@]1(C(=O)N2CCN(C(=O)c3cc4sccc4s3)CC2)CCCC[NH2+]1 ZINC000510442038 564333757 /nfs/dbraw/zinc/33/37/57/564333757.db2.gz HSMJWZQCGGQIMS-GOSISDBHSA-N 1 0 377.535 2.779 20 0 GFADRO O[C@@H](C[NH2+]C1(c2ccccc2Br)CCCCC1)CN1CCOCC1 ZINC000451691337 564340133 /nfs/dbraw/zinc/34/01/33/564340133.db2.gz QMSFWXWESJAJEO-INIZCTEOSA-N 1 0 397.357 2.891 20 0 GFADRO O=C(Nc1ccc(CCn2cc(Br)cn2)cc1)N1CCC[NH2+]CC1 ZINC000566726026 564340435 /nfs/dbraw/zinc/34/04/35/564340435.db2.gz GXPLSBSCXVZRNC-UHFFFAOYSA-N 1 0 392.301 2.716 20 0 GFADRO COCC[C@H]([NH2+]CCCS(=O)(=O)N(C)C)c1cccc(C(F)(F)F)c1 ZINC000451694842 564340943 /nfs/dbraw/zinc/34/09/43/564340943.db2.gz NOPIZUOHCRFBAE-HNNXBMFYSA-N 1 0 382.448 2.654 20 0 GFADRO [NH3+]C[C@H]1CCCN(C(=O)C(=O)Nc2ccc(-c3ccc(Cl)s3)nc2)C1 ZINC000566784997 564342872 /nfs/dbraw/zinc/34/28/72/564342872.db2.gz QNPQNZFILFRLDZ-LLVKDONJSA-N 1 0 378.885 2.599 20 0 GFADRO CS(=O)(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(OCC(F)(F)F)cc1 ZINC000510760483 564345675 /nfs/dbraw/zinc/34/56/75/564345675.db2.gz CFPCRDANMSCGHU-HUUCEWRRSA-N 1 0 380.432 2.578 20 0 GFADRO CS(=O)(=O)N[C@@H]1CCCC[C@@H]1[NH2+]CCc1cccc(OC(F)(F)F)c1 ZINC000510745169 564345693 /nfs/dbraw/zinc/34/56/93/564345693.db2.gz JCVFCPIMWSJJRO-LSDHHAIUSA-N 1 0 380.432 2.578 20 0 GFADRO C[C@H](O)C[N@@H+]1CCN(C(=O)NCC(F)(F)c2ccc(Cl)cc2)[C@@H](C)C1 ZINC000510892088 564349602 /nfs/dbraw/zinc/34/96/02/564349602.db2.gz FQAHCEQAAVCHQW-STQMWFEESA-N 1 0 375.847 2.528 20 0 GFADRO COC(=O)c1cc(NC(=O)N[C@H](C)C[C@H](C)[NH3+])cc(Br)c1F ZINC000566914891 564349767 /nfs/dbraw/zinc/34/97/67/564349767.db2.gz DCCMTEVLRZPAMN-JGVFFNPUSA-N 1 0 376.226 2.622 20 0 GFADRO C[C@H]([NH2+]CCNS(=O)(=O)c1ccc(F)cc1Cl)c1cccc(CO)c1 ZINC000510945401 564351075 /nfs/dbraw/zinc/35/10/75/564351075.db2.gz BUJCUEVMAGDRCA-LBPRGKRZSA-N 1 0 386.876 2.601 20 0 GFADRO C[C@H]([NH2+]CCNS(=O)(=O)c1ccc(F)cc1Cl)C1CCSCC1 ZINC000510984964 564353191 /nfs/dbraw/zinc/35/31/91/564353191.db2.gz YTUGVGVNPGVVMO-NSHDSACASA-N 1 0 380.938 2.879 20 0 GFADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2c(Cl)cccc2S(C)(=O)=O)C1 ZINC000476840649 564354491 /nfs/dbraw/zinc/35/44/91/564354491.db2.gz CHSVLHMQXZGXTJ-OKILXGFUSA-N 1 0 386.945 2.841 20 0 GFADRO C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)Nc1ccc(F)cc1I ZINC000543626968 564356358 /nfs/dbraw/zinc/35/63/58/564356358.db2.gz OMKUUKBDQOLRLA-VHSXEESVSA-N 1 0 391.228 2.987 20 0 GFADRO CN(C[C@@H]1CCC[N@H+](CCOc2cc(Cl)cc(Cl)c2)C1)S(C)(=O)=O ZINC000511093444 564356594 /nfs/dbraw/zinc/35/65/94/564356594.db2.gz VTOHYWCUGNKKBC-ZDUSSCGKSA-N 1 0 395.352 2.976 20 0 GFADRO C[C@@H]1CCC[C@@](CNC(=O)c2c(Cl)cccc2S(C)(=O)=O)([NH+](C)C)C1 ZINC000476907357 564358693 /nfs/dbraw/zinc/35/86/93/564358693.db2.gz PURHWHWSRUPBBS-FZKQIMNGSA-N 1 0 386.945 2.984 20 0 GFADRO CN(C)S(=O)(=O)[C@H]1CCCN(Cc2cc(Cl)ccc2OCC2CC2)C1 ZINC000511125430 564358849 /nfs/dbraw/zinc/35/88/49/564358849.db2.gz MRORKOUDZYASHS-KRWDZBQOSA-N 1 0 386.945 2.985 20 0 GFADRO C[C@H]1CN(CC(F)(F)F)CC[N@H+](C[C@@H](O)COc2ccc(Cl)cc2)C1 ZINC000451870824 564361437 /nfs/dbraw/zinc/36/14/37/564361437.db2.gz ISUSBJXPNJEPGR-UKRRQHHQSA-N 1 0 380.838 2.896 20 0 GFADRO CCn1cc([C@@H](C)[NH2+]C[C@H](O)COc2cc(F)cc(Br)c2)cn1 ZINC000451885626 564362138 /nfs/dbraw/zinc/36/21/38/564362138.db2.gz BBJDQANIATYINT-ABAIWWIYSA-N 1 0 386.265 2.895 20 0 GFADRO COc1ccc(NC(=O)CC[N@@H+]2CC[C@H]([C@H](O)C(F)(F)F)C2)cc1Cl ZINC000451887722 564362482 /nfs/dbraw/zinc/36/24/82/564362482.db2.gz KCYHQSVZUQCWSC-BONVTDFDSA-N 1 0 380.794 2.922 20 0 GFADRO C[C@@H](NC(=O)c1cccc(F)c1I)C1=CC[N@H+](C)CC1 ZINC000543754663 564362947 /nfs/dbraw/zinc/36/29/47/564362947.db2.gz SZYUZBFWCOFGFC-SNVBAGLBSA-N 1 0 388.224 2.811 20 0 GFADRO [NH3+]C[C@@H](NC(=O)N1CCC[C@@H](Nc2cccc(Br)c2)C1)C1CC1 ZINC000567248232 564363055 /nfs/dbraw/zinc/36/30/55/564363055.db2.gz RULJMPWVWGMTJP-HZPDHXFCSA-N 1 0 381.318 2.772 20 0 GFADRO OC[C@@H]([NH2+]C[C@@H](O)COc1ccc(Br)cc1)c1cccc(F)c1 ZINC000543810152 564365227 /nfs/dbraw/zinc/36/52/27/564365227.db2.gz MIIMWVJEVQIBLC-NVXWUHKLSA-N 1 0 384.245 2.651 20 0 GFADRO COc1ccc(S(=O)(=O)N2C[C@@H](SC)[C@@H]([NH+]3CCCC3)C2)c(C)c1C ZINC000477132832 564366196 /nfs/dbraw/zinc/36/61/96/564366196.db2.gz DRIQRAHTJOEFLM-DOTOQJQBSA-N 1 0 384.567 2.512 20 0 GFADRO COc1cc(C)c(S(=O)(=O)N2C[C@@H]([NH+]3CCCC3)[C@@H](SC)C2)cc1C ZINC000477137147 564366328 /nfs/dbraw/zinc/36/63/28/564366328.db2.gz LDXKWBORKLPAOP-WBVHZDCISA-N 1 0 384.567 2.512 20 0 GFADRO O=C1CC[C@H]([NH+]2CCN(CCOc3cc(Cl)cc(Cl)c3)CC2)CCN1 ZINC000451913835 564366410 /nfs/dbraw/zinc/36/64/10/564366410.db2.gz CLKODSQXPLRWHO-INIZCTEOSA-N 1 0 386.323 2.659 20 0 GFADRO CS[C@H]1CN(S(=O)(=O)c2cccc(Cl)c2F)C[C@@H]1[NH+]1CCCC1 ZINC000477141866 564367090 /nfs/dbraw/zinc/36/70/90/564367090.db2.gz WMPKOZMNNJCRGL-STQMWFEESA-N 1 0 378.922 2.679 20 0 GFADRO C[C@@H](CC[NH3+])NC(=O)c1ccccc1Sc1ccc(S(C)(=O)=O)cc1 ZINC000477184449 564368865 /nfs/dbraw/zinc/36/88/65/564368865.db2.gz FCXDPXNODZGUDF-ZDUSSCGKSA-N 1 0 378.519 2.708 20 0 GFADRO C[N@@H+]1CC[C@H]2CCN(C(=O)NCc3cc(F)c(F)cc3Br)[C@H]2C1 ZINC000511358736 564369269 /nfs/dbraw/zinc/36/92/69/564369269.db2.gz HBWRKEWOPNGKNJ-BONVTDFDSA-N 1 0 388.256 2.963 20 0 GFADRO C[C@H](C[NH+]1CCOCC1)C(=O)N1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000544022890 564371566 /nfs/dbraw/zinc/37/15/66/564371566.db2.gz GIWOXCYXUFWQCJ-HIFRSBDPSA-N 1 0 387.307 2.941 20 0 GFADRO O=C([C@H]1C[C@@]12CC[NH2+]C2)N1CCC(Oc2cccc(Br)c2)CC1 ZINC000567468910 564372704 /nfs/dbraw/zinc/37/27/04/564372704.db2.gz GBUGASXPYCRAIO-SJLPKXTDSA-N 1 0 379.298 2.819 20 0 GFADRO O=C(N[C@@H]1C[C@H]1C1CC[NH2+]CC1)N[C@H]1COc2cc(F)c(Br)cc21 ZINC000567477932 564373668 /nfs/dbraw/zinc/37/36/68/564373668.db2.gz PQWKNUMBNXPBGF-VQISRLSMSA-N 1 0 398.276 2.709 20 0 GFADRO CC(=O)NC1CCC([N@H+](C)C[C@H](O)COc2ccc(Br)cc2)CC1 ZINC000544109362 564375003 /nfs/dbraw/zinc/37/50/03/564375003.db2.gz RHYNIXYJQTWNAF-JCYILVPMSA-N 1 0 399.329 2.568 20 0 GFADRO CNC(=O)c1cccc(C[NH2+][C@](C)(CO)c2ccc(Br)cc2)c1 ZINC000511588769 564376706 /nfs/dbraw/zinc/37/67/06/564376706.db2.gz QYUKUVANEHZQCA-GOSISDBHSA-N 1 0 377.282 2.806 20 0 GFADRO OC[C@@H](O)C[N@H+](CCCc1ccccc1Br)CCC(F)(F)F ZINC000544144855 564377173 /nfs/dbraw/zinc/37/71/73/564377173.db2.gz CBEUSLSOLHVAOA-ZDUSSCGKSA-N 1 0 384.236 2.989 20 0 GFADRO Cc1ccccc1CNC(=O)C[NH2+][C@](C)(CO)c1ccc(Br)cc1 ZINC000511608705 564377627 /nfs/dbraw/zinc/37/76/27/564377627.db2.gz DNGDITYKBNEAMF-LJQANCHMSA-N 1 0 391.309 2.871 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@H](NCc2cn(-c3ccccc3Br)nn2)C1 ZINC000567652990 564381373 /nfs/dbraw/zinc/38/13/73/564381373.db2.gz BDGFZLPHZFZFEH-DZGCQCFKSA-N 1 0 378.318 2.992 20 0 GFADRO COc1ccc(C[NH2+][C@@H]2CCCN(c3ccnn3C)C2)c(Br)c1 ZINC000511753887 564381600 /nfs/dbraw/zinc/38/16/00/564381600.db2.gz IBIZWEQETHXXGU-CQSZACIVSA-N 1 0 379.302 2.950 20 0 GFADRO Cc1cc(I)cc(C(=O)NCC[N@H+]2CC=CCC2)c1C ZINC000477627937 564381997 /nfs/dbraw/zinc/38/19/97/564381997.db2.gz MVLYCHKYVHAAIO-UHFFFAOYSA-N 1 0 384.261 2.900 20 0 GFADRO Cc1cc(Br)cc(Cl)c1C(=O)NC[C@@H](C)N1CC[NH+](C)CC1 ZINC000477666165 564382738 /nfs/dbraw/zinc/38/27/38/564382738.db2.gz MLBOXKLWYJCNNJ-GFCCVEGCSA-N 1 0 388.737 2.777 20 0 GFADRO O=C(NCC[N@H+]1CC=CCC1)[C@H](c1ccc(Br)cc1)N1CCCC1 ZINC000477641920 564383203 /nfs/dbraw/zinc/38/32/03/564383203.db2.gz YGNPKNLUUDWPHC-SFHVURJKSA-N 1 0 392.341 2.964 20 0 GFADRO COc1ccc(CNC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c(Br)c1 ZINC000511996081 564388821 /nfs/dbraw/zinc/38/88/21/564388821.db2.gz FPLHHHBULCHKEQ-ZWKOTPCHSA-N 1 0 383.330 2.925 20 0 GFADRO CCOCCOC[C@H](O)C[NH2+][C@H]1CCc2c1cc(Br)cc2F ZINC000477937435 564390850 /nfs/dbraw/zinc/39/08/50/564390850.db2.gz ZTZBPOFPYCNQHN-WBMJQRKESA-N 1 0 376.266 2.579 20 0 GFADRO Cc1nccn1C[C@H](C)C[NH2+]Cc1ncc(I)s1 ZINC000512061481 564390922 /nfs/dbraw/zinc/39/09/22/564390922.db2.gz YEQXELZXEBXECU-SECBINFHSA-N 1 0 376.267 2.679 20 0 GFADRO [NH3+][C@@H](C(=O)N[C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1)C1CCC1 ZINC000567817865 564391170 /nfs/dbraw/zinc/39/11/70/564391170.db2.gz DMUMTEWZQOPJSB-WCQYABFASA-N 1 0 376.810 2.576 20 0 GFADRO C[C@@]1(CNC(=O)[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)CCC[NH2+]C1 ZINC000567839273 564392091 /nfs/dbraw/zinc/39/20/91/564392091.db2.gz DNNTYHOPFFSFJR-SCLBCKFNSA-N 1 0 384.307 2.852 20 0 GFADRO C[NH2+]C[C@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2Br)C1 ZINC000567850341 564392541 /nfs/dbraw/zinc/39/25/41/564392541.db2.gz SJBIFLDLABSYSQ-LLVKDONJSA-N 1 0 395.750 2.864 20 0 GFADRO CC[NH+](CC)CCOCCNS(=O)(=O)c1c(Cl)ccc(C)c1Cl ZINC000544670929 564393323 /nfs/dbraw/zinc/39/33/23/564393323.db2.gz JYGZBFYGCQZQPK-UHFFFAOYSA-N 1 0 383.341 2.939 20 0 GFADRO CC(C)[C@@H](O)C(C)(C)C[NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000567872621 564393505 /nfs/dbraw/zinc/39/35/05/564393505.db2.gz CFMWQUOJNKCOGG-GDBMZVCRSA-N 1 0 392.309 2.961 20 0 GFADRO [NH3+]C[C@H]1c2ccccc2CCN1C(=O)C(=O)NCc1cc(Cl)sc1Cl ZINC000567880654 564394935 /nfs/dbraw/zinc/39/49/35/564394935.db2.gz KYWUZALMPZGCCW-ZDUSSCGKSA-N 1 0 398.315 2.756 20 0 GFADRO OCC1([NH2+]C[C@@H](O)COc2c(Cl)cccc2Cl)Cc2ccccc2C1 ZINC000512330500 564398144 /nfs/dbraw/zinc/39/81/44/564398144.db2.gz UUKDXOVVOFMARH-OAHLLOKOSA-N 1 0 382.287 2.853 20 0 GFADRO CC[C@@H](C(=O)N1CCNC(=O)[C@@H]1c1ccc(Br)cc1)[NH+](CC)CC ZINC000478540387 564406657 /nfs/dbraw/zinc/40/66/57/564406657.db2.gz RVJRRTYMFIPTPN-HOTGVXAUSA-N 1 0 396.329 2.569 20 0 GFADRO C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NC[C@H]1CCC[N@@H+]1CCCO ZINC000452344579 564407248 /nfs/dbraw/zinc/40/72/48/564407248.db2.gz CRSCGZRLKOUQTL-TZMCWYRMSA-N 1 0 375.296 2.724 20 0 GFADRO C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)NC[C@@H]1CCC[N@@H+]1CCCO ZINC000452356208 564407792 /nfs/dbraw/zinc/40/77/92/564407792.db2.gz ZVXHKZIOVZXHQJ-OLZOCXBDSA-N 1 0 375.296 2.724 20 0 GFADRO CC(C)(C(=O)NC[C@@H]1CCC[N@@H+]1CCCO)c1ccccc1Br ZINC000452357736 564408293 /nfs/dbraw/zinc/40/82/93/564408293.db2.gz FISORNYHEWFXOW-AWEZNQCLSA-N 1 0 383.330 2.690 20 0 GFADRO O=C(NC[C@@H]1CCC[N@H+]1CCCO)c1nc2ccccc2cc1Br ZINC000452360275 564408714 /nfs/dbraw/zinc/40/87/14/564408714.db2.gz IILUYZFIZQSHBK-AWEZNQCLSA-N 1 0 392.297 2.574 20 0 GFADRO CN(Cc1ccc([S@@](C)=O)cc1)C(=O)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000568197515 564409257 /nfs/dbraw/zinc/40/92/57/564409257.db2.gz ALAWFKRZJFUJEU-CRICUBBOSA-N 1 0 380.579 2.600 20 0 GFADRO CC(C)Oc1cc(Br)ccc1C(=O)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000452378075 564410232 /nfs/dbraw/zinc/41/02/32/564410232.db2.gz UUDBXVWHOVGWOD-OAHLLOKOSA-N 1 0 399.329 2.813 20 0 GFADRO O=C(N[C@H]1CCC[N@@H+](CCCO)C1)c1cc2cc(Br)ccc2o1 ZINC000452372436 564410530 /nfs/dbraw/zinc/41/05/30/564410530.db2.gz CMTNTIKYEMKVRE-AWEZNQCLSA-N 1 0 381.270 2.772 20 0 GFADRO O=C(NC[C@H]1CCCC[N@H+]1CCO)c1ccc(Br)c(Cl)c1 ZINC000452395686 564413005 /nfs/dbraw/zinc/41/30/05/564413005.db2.gz XAAIOMLVCGUAIS-GFCCVEGCSA-N 1 0 375.694 2.679 20 0 GFADRO C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NC[C@H]1CCCC[N@@H+]1CCO ZINC000452394720 564413114 /nfs/dbraw/zinc/41/31/14/564413114.db2.gz VLEDWRFZIJZNHP-GXTWGEPZSA-N 1 0 375.296 2.724 20 0 GFADRO CS(=O)(=O)N[C@@H]1CCCC[C@H]1C[NH2+]Cc1cc(F)ccc1Br ZINC000512850815 564413520 /nfs/dbraw/zinc/41/35/20/564413520.db2.gz KZVQGGLISIGAQR-XHDPSFHLSA-N 1 0 393.322 2.786 20 0 GFADRO COCC[N@@H+]1CC[C@@H](NC(=O)Nc2ccc(Cl)cc2Br)C1 ZINC000478742992 564413525 /nfs/dbraw/zinc/41/35/25/564413525.db2.gz SSHQMBDDEQWBHJ-LLVKDONJSA-N 1 0 376.682 2.945 20 0 GFADRO CS(=O)(=O)N[C@H]1CCCC[C@H]1C[NH2+]Cc1ccc(OC(F)F)c(F)c1 ZINC000512850069 564413631 /nfs/dbraw/zinc/41/36/31/564413631.db2.gz HSMYRMXEJNFQOL-JSGCOSHPSA-N 1 0 380.432 2.625 20 0 GFADRO C[C@@H]1CCC[C@H]1[NH2+]CCCNS(=O)(=O)c1ccccc1Br ZINC000512868436 564414394 /nfs/dbraw/zinc/41/43/94/564414394.db2.gz CRDCEGHIIPYKIC-TZMCWYRMSA-N 1 0 375.332 2.896 20 0 GFADRO COc1cc(Br)ccc1C[NH2+]C[C@@H](N1CCOCC1)C(F)(F)F ZINC000512977845 564416681 /nfs/dbraw/zinc/41/66/81/564416681.db2.gz SWVNUNDDTPHYRP-CQSZACIVSA-N 1 0 397.235 2.810 20 0 GFADRO C[C@H]([NH2+]C[C@@H]1CCCCN1S(C)(=O)=O)c1ccc(Br)s1 ZINC000512989377 564416894 /nfs/dbraw/zinc/41/68/94/564416894.db2.gz SWHYZTWBELDOJN-QWRGUYRKSA-N 1 0 381.361 2.975 20 0 GFADRO CS(=O)(=O)c1cccc(Cl)c1CNc1ccc(Cn2ccnc2)cn1 ZINC000513069489 564418644 /nfs/dbraw/zinc/41/86/44/564418644.db2.gz OKVHTGUBOXFWBW-UHFFFAOYSA-N 1 0 376.869 2.995 20 0 GFADRO O=S(=O)(C1CC1)N1CCC[C@@H]([NH2+]Cc2ccc(Br)c(F)c2)C1 ZINC000513069543 564418732 /nfs/dbraw/zinc/41/87/32/564418732.db2.gz OSSHIZCAYDOYCU-GFCCVEGCSA-N 1 0 391.306 2.634 20 0 GFADRO C[N@@H+]1CCC[C@H]1CNC(=O)NCc1cnn(-c2ccc(Br)cc2)c1 ZINC000568470335 564420253 /nfs/dbraw/zinc/42/02/53/564420253.db2.gz GYMIBUHIFDKVEV-INIZCTEOSA-N 1 0 392.301 2.528 20 0 GFADRO CCOC(=O)c1oc2ccc(Br)cc2c1C[N@H+](C)CCC(N)=O ZINC000513179027 564423663 /nfs/dbraw/zinc/42/36/63/564423663.db2.gz UAHJKMXXXRDZFL-UHFFFAOYSA-N 1 0 383.242 2.679 20 0 GFADRO COc1c(Br)cccc1CN(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000568565166 564423961 /nfs/dbraw/zinc/42/39/61/564423961.db2.gz QKUIARABLJHPAT-UHFFFAOYSA-N 1 0 384.362 2.916 20 0 GFADRO CN(C)C(=O)CN1CCC([NH2+][C@H]2CCCc3cc(Br)ccc32)CC1 ZINC000479060710 564424403 /nfs/dbraw/zinc/42/44/03/564424403.db2.gz NFVQRENMAFSYTO-SFHVURJKSA-N 1 0 394.357 2.969 20 0 GFADRO CCN1CC[NH+](CCCCNC(=O)Cc2cccc(Br)c2C)CC1 ZINC000479108803 564426104 /nfs/dbraw/zinc/42/61/04/564426104.db2.gz WEYZDTYXOIXBHD-UHFFFAOYSA-N 1 0 396.373 2.834 20 0 GFADRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2Cc2cn(-c3ccccc3Br)nn2)C1 ZINC000568615358 564427110 /nfs/dbraw/zinc/42/71/10/564427110.db2.gz LHMVQMKPXLZECR-WMLDXEAASA-N 1 0 390.329 2.946 20 0 GFADRO Cn1cc(Br)c(CNC(=O)c2oc3ccccc3c2C[NH+](C)C)n1 ZINC000452751828 564428856 /nfs/dbraw/zinc/42/88/56/564428856.db2.gz DXCSIRJCZMWUJK-UHFFFAOYSA-N 1 0 391.269 2.920 20 0 GFADRO COc1ccc(C[N@H+](CC(C)(C)O)C2CCOCC2)c(Br)c1O ZINC000545560950 564429031 /nfs/dbraw/zinc/42/90/31/564429031.db2.gz NQPIGPXNEUQWIJ-UHFFFAOYSA-N 1 0 388.302 2.915 20 0 GFADRO Cn1cc(Br)c(CNC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)n1 ZINC000452753550 564429782 /nfs/dbraw/zinc/42/97/82/564429782.db2.gz IZQIMMBCNICXQC-KRWDZBQOSA-N 1 0 391.313 2.854 20 0 GFADRO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1c1nnc(-c2ccc(Br)cc2)n1C ZINC000568815225 564436394 /nfs/dbraw/zinc/43/63/94/564436394.db2.gz NPTPJLAWWVQOEU-SWLSCSKDSA-N 1 0 376.302 2.918 20 0 GFADRO C[C@@H](C(=O)NCC(=O)Nc1cccc(Br)c1)[NH+]1CCCCCC1 ZINC000479336690 564436528 /nfs/dbraw/zinc/43/65/28/564436528.db2.gz AUANKWZCGLHDRE-ZDUSSCGKSA-N 1 0 382.302 2.768 20 0 GFADRO Cc1cc(C)c(S(N)(=O)=O)cc1[C@@H](C)[NH2+]CCOc1ncccc1Cl ZINC000479388846 564438034 /nfs/dbraw/zinc/43/80/34/564438034.db2.gz IXZPRELQLRCFJK-CYBMUJFWSA-N 1 0 383.901 2.729 20 0 GFADRO Cc1cc(C(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])c(C)cc1Br ZINC000568871418 564438895 /nfs/dbraw/zinc/43/88/95/564438895.db2.gz PQTVKPPFUWEZRN-AWEZNQCLSA-N 1 0 396.329 2.526 20 0 GFADRO O=C(c1[nH]nc(-c2ccccc2)c1Br)N1CCC2(CC[NH2+]2)CC1 ZINC000568869942 564439094 /nfs/dbraw/zinc/43/90/94/564439094.db2.gz DRZFGAUGZDWEIB-UHFFFAOYSA-N 1 0 375.270 2.807 20 0 GFADRO Cc1cc(C(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])c(C)cc1Br ZINC000568871419 564439229 /nfs/dbraw/zinc/43/92/29/564439229.db2.gz PQTVKPPFUWEZRN-CQSZACIVSA-N 1 0 396.329 2.526 20 0 GFADRO COCCN(CC[NH+](C)C)C(=O)c1cc(C)nc2cc(Br)ccc21 ZINC000568885469 564439755 /nfs/dbraw/zinc/43/97/55/564439755.db2.gz GLCFHZFCYFIJQX-UHFFFAOYSA-N 1 0 394.313 2.956 20 0 GFADRO C[C@H]([NH2+]CC1(CCO)CCC1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000479420647 564439861 /nfs/dbraw/zinc/43/98/61/564439861.db2.gz RBNQLRIMZHKZQB-JTQLQIEISA-N 1 0 381.325 2.844 20 0 GFADRO CS(=O)(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3ccc(Br)cc3)o2)C1 ZINC000568889468 564440074 /nfs/dbraw/zinc/44/00/74/564440074.db2.gz KMDNDGGATQCGGN-AWEZNQCLSA-N 1 0 399.310 2.833 20 0 GFADRO C[C@H](N[C@H]1CCC[N@H+](C)[C@H]1C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000479458507 564440493 /nfs/dbraw/zinc/44/04/93/564440493.db2.gz VLNRPTBDHLODSX-BHDSKKPTSA-N 1 0 380.341 2.774 20 0 GFADRO Cc1cccc(C)c1OC[C@H](O)C[N@H+](C)CCn1cc(Br)cn1 ZINC000568928891 564441552 /nfs/dbraw/zinc/44/15/52/564441552.db2.gz JLUZPBMBJYGJPY-MRXNPFEDSA-N 1 0 382.302 2.634 20 0 GFADRO CCC[N@H+](CC)C[C@@H](C)NC(=O)C(=O)Nc1cc(C)cc(Br)c1 ZINC000568938312 564441709 /nfs/dbraw/zinc/44/17/09/564441709.db2.gz WVQAVDZJFCMTTD-CYBMUJFWSA-N 1 0 384.318 2.933 20 0 GFADRO C[NH+](C)C(C)(C)CNC(=O)c1ccc2cc(I)ccc2n1 ZINC000479563598 564443423 /nfs/dbraw/zinc/44/34/23/564443423.db2.gz DEMQXWJFISCBFL-UHFFFAOYSA-N 1 0 397.260 2.909 20 0 GFADRO COc1c(Br)cccc1C[NH2+]CCNS(=O)(=O)c1ccccc1 ZINC000479560378 564443571 /nfs/dbraw/zinc/44/35/71/564443571.db2.gz QCYHRWOBSQREHA-UHFFFAOYSA-N 1 0 399.310 2.526 20 0 GFADRO COCC[NH2+]C1CCN(C(=O)[C@@H](C)Oc2ccc(Cl)c(Cl)c2)CC1 ZINC000568996117 564444358 /nfs/dbraw/zinc/44/43/58/564444358.db2.gz WSRQUSRSIBUZTJ-GFCCVEGCSA-N 1 0 375.296 2.988 20 0 GFADRO CCC[N@H+](CC)C[C@H](C)NC(=O)C(=O)Nc1ccc(C)c(Br)c1 ZINC000569043110 564446443 /nfs/dbraw/zinc/44/64/43/564446443.db2.gz GPXMPXBPUHAKJN-ZDUSSCGKSA-N 1 0 384.318 2.933 20 0 GFADRO CN1CCN(C(=O)CC[N@@H+]2CCC[C@@H]2c2cc(F)cc(Br)c2)CC1 ZINC000514189413 564446793 /nfs/dbraw/zinc/44/67/93/564446793.db2.gz HPKYSWSKSPUEKO-QGZVFWFLSA-N 1 0 398.320 2.889 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCCN(C)C1=O)c1ccc(F)c(I)c1 ZINC000453132818 564448224 /nfs/dbraw/zinc/44/82/24/564448224.db2.gz MTLFHEMRCZEKQZ-TVQRCGJNSA-N 1 0 376.213 2.702 20 0 GFADRO CN(C(=O)c1ccc(-n2cc(Br)cn2)cc1)C1CC[NH+](C)CC1 ZINC000514498952 564448413 /nfs/dbraw/zinc/44/84/13/564448413.db2.gz YWLUXXRGLGEPEH-UHFFFAOYSA-N 1 0 377.286 2.801 20 0 GFADRO CSCC[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)N[C@H](C)[C@@H](C)[NH3+] ZINC000569119417 564449320 /nfs/dbraw/zinc/44/93/20/564449320.db2.gz NLRKXWIXMFGUGC-RULNRJAQSA-N 1 0 392.352 2.697 20 0 GFADRO COC1([C@@H](C)[NH2+]CCCS(=O)(=O)c2ccc(Cl)cc2)CCOCC1 ZINC000453232773 564450191 /nfs/dbraw/zinc/45/01/91/564450191.db2.gz UWRGMCIDRGSLCJ-CQSZACIVSA-N 1 0 375.918 2.678 20 0 GFADRO C[C@@H]([NH2+]CCn1cc(Br)ccc1=O)c1nc2ccccc2n1C ZINC000453251628 564451214 /nfs/dbraw/zinc/45/12/14/564451214.db2.gz NMWZPSWPLUYARP-GFCCVEGCSA-N 1 0 375.270 2.848 20 0 GFADRO CC[C@@H](CNS(C)(=O)=O)[NH2+][C@H](c1cccc(OC(F)(F)F)c1)C1CC1 ZINC000453272606 564452118 /nfs/dbraw/zinc/45/21/18/564452118.db2.gz BHZPBGBIOBREHF-ZFWWWQNUSA-N 1 0 380.432 2.954 20 0 GFADRO CC[C@H](CNS(C)(=O)=O)[NH2+][C@@H](Cc1cccnc1)c1ccc(Cl)cc1 ZINC000453294348 564453091 /nfs/dbraw/zinc/45/30/91/564453091.db2.gz WYOLUZPZVYLBCM-MSOLQXFVSA-N 1 0 381.929 2.936 20 0 GFADRO CC(C)(C(=O)N[C@@H](CO)C[NH+]1CCCCC1)c1cccc(Br)c1 ZINC000514690712 564454289 /nfs/dbraw/zinc/45/42/89/564454289.db2.gz ALYNFTHTBAZFKF-MRXNPFEDSA-N 1 0 383.330 2.690 20 0 GFADRO Brc1cncc(Br)c1CN1CC[NH+]2CCC1CC2 ZINC000514696155 564454591 /nfs/dbraw/zinc/45/45/91/564454591.db2.gz GVBMHAAQOYIWIY-UHFFFAOYSA-N 1 0 375.108 2.887 20 0 GFADRO O[C@@H]1COC[C@H]1[NH2+][C@@H]1CCCc2c(Br)cc(Br)cc21 ZINC000453360948 564455018 /nfs/dbraw/zinc/45/50/18/564455018.db2.gz UDCSKNIYMLDWNS-MGPQQGTHSA-N 1 0 391.103 2.938 20 0 GFADRO Cc1cc(C)c(C[NH2+][C@@H](C)c2ccc(Br)c(S(N)(=O)=O)c2)cn1 ZINC000453372190 564455080 /nfs/dbraw/zinc/45/50/80/564455080.db2.gz SAXTXTGHIUQAGB-LBPRGKRZSA-N 1 0 398.326 2.959 20 0 GFADRO C[C@@H]([NH2+]CCn1cc(Br)cn1)[C@@H](c1ccccc1)N1CCOCC1 ZINC000514744589 564455661 /nfs/dbraw/zinc/45/56/61/564455661.db2.gz FNVQDKQKROWQAB-QAPCUYQASA-N 1 0 393.329 2.697 20 0 GFADRO Cc1ccc(C[C@H](CO)C[NH2+][C@H](C)C(C)(C)n2cncn2)cc1Br ZINC000453372900 564455725 /nfs/dbraw/zinc/45/57/25/564455725.db2.gz NZNHLFKWZSZAOM-ZBFHGGJFSA-N 1 0 395.345 2.913 20 0 GFADRO COc1ccc(Br)cc1C[C@H](CO)C[NH2+][C@@H](C)c1cnccn1 ZINC000453393991 564455863 /nfs/dbraw/zinc/45/58/63/564455863.db2.gz ZUQZYUGZHQVHJX-STQMWFEESA-N 1 0 380.286 2.750 20 0 GFADRO Cc1ccc(CC[NH2+][C@H](C)c2ccc(Br)c(S(N)(=O)=O)c2)nc1 ZINC000453430867 564457261 /nfs/dbraw/zinc/45/72/61/564457261.db2.gz RAXSZHFHHNWPFE-GFCCVEGCSA-N 1 0 398.326 2.693 20 0 GFADRO Cn1nccc1[C@@H]1C[C@H]([NH2+]Cc2cc3c(cc2Br)OCO3)CCO1 ZINC000514776483 564457479 /nfs/dbraw/zinc/45/74/79/564457479.db2.gz FUNIUWYSLSCRQM-DOMZBBRYSA-N 1 0 394.269 2.921 20 0 GFADRO CCOCCOc1ccc(Br)cc1C[NH2+]C[C@]1(C)CCC(=O)N1 ZINC000453588691 564458927 /nfs/dbraw/zinc/45/89/27/564458927.db2.gz LORQISKKAFTWEU-KRWDZBQOSA-N 1 0 385.302 2.623 20 0 GFADRO Cc1cc(Br)c(CNC2CC[NH+](CCC(=O)N(C)C)CC2)s1 ZINC000453582445 564459403 /nfs/dbraw/zinc/45/94/03/564459403.db2.gz FGNGDOGKKZLDBP-UHFFFAOYSA-N 1 0 388.375 2.851 20 0 GFADRO C[C@@H](NC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1)c1ncc(Br)cn1 ZINC000514844098 564460410 /nfs/dbraw/zinc/46/04/10/564460410.db2.gz PHZRPEJTKONPTR-UKRRQHHQSA-N 1 0 396.333 2.960 20 0 GFADRO C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)Nc1cc(Br)ccn1 ZINC000480137725 564461154 /nfs/dbraw/zinc/46/11/54/564461154.db2.gz POPXZJLQSYKFBN-AWEZNQCLSA-N 1 0 376.302 2.862 20 0 GFADRO CN(C)CC[N@H+](C)CCCN(C)C(=O)[C@H]1C[C@H]1c1ccc(Br)cc1 ZINC000569407940 564461982 /nfs/dbraw/zinc/46/19/82/564461982.db2.gz VXOFTAYRIFXQJN-ROUUACIJSA-N 1 0 396.373 2.895 20 0 GFADRO Cc1ccc(F)c(Br)c1NC(=O)C(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000453677605 564464578 /nfs/dbraw/zinc/46/45/78/564464578.db2.gz PPHLTEJOURUHNR-MNOVXSKESA-N 1 0 398.276 2.577 20 0 GFADRO O=S1(=O)CC[C@@H]([NH2+]CCc2cccnc2)c2cc(Br)ccc21 ZINC000480258770 564466744 /nfs/dbraw/zinc/46/67/44/564466744.db2.gz NOAMNEGKQUAJFC-OAHLLOKOSA-N 1 0 381.295 2.895 20 0 GFADRO C[C@H](CNS(=O)(=O)c1ccc(Br)cc1)[N@@H+]1CCCC[C@@H]1C ZINC000515100112 564469441 /nfs/dbraw/zinc/46/94/41/564469441.db2.gz BCDKDRCLPHJBLJ-QWHCGFSZSA-N 1 0 375.332 2.990 20 0 GFADRO CN(C)c1cc[nH+]cc1C(=O)NCc1cc2c(c(Br)c1)OCO2 ZINC000546808649 564469977 /nfs/dbraw/zinc/46/99/77/564469977.db2.gz ITLRPUVYPQTDGH-UHFFFAOYSA-N 1 0 378.226 2.569 20 0 GFADRO O=C(NC[C@@H]1C[NH2+]CCO1)N1CCC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000515144750 564470681 /nfs/dbraw/zinc/47/06/81/564470681.db2.gz FBIZAYAAEQUBRA-KBPBESRZSA-N 1 0 388.295 2.535 20 0 GFADRO COCC[NH2+]C1CCN([C@H](C)C(=O)Nc2ccc(C)cc2Br)CC1 ZINC000515305884 564474732 /nfs/dbraw/zinc/47/47/32/564474732.db2.gz KLOXUFIZOWXFOS-CQSZACIVSA-N 1 0 398.345 2.785 20 0 GFADRO O=C(CC1CC[NH2+]CC1)Nc1cc(-c2cc(F)cc(Br)c2)[nH]n1 ZINC000569719205 564476046 /nfs/dbraw/zinc/47/60/46/564476046.db2.gz OYYAAOCPESJJQN-UHFFFAOYSA-N 1 0 381.249 3.307 20 0 GFADRO CC(C)[N@H+](C)CC1CCN(C(=O)Cc2cc[nH]c(=O)c2Br)CC1 ZINC000569791049 564478649 /nfs/dbraw/zinc/47/86/49/564478649.db2.gz ANNCIALPNIHUSF-UHFFFAOYSA-N 1 0 384.318 2.671 20 0 GFADRO O=C(COc1ccc(Cl)c(Cl)c1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000515423437 564479296 /nfs/dbraw/zinc/47/92/96/564479296.db2.gz JICYINOWJJPHQU-UHFFFAOYSA-N 1 0 387.307 2.943 20 0 GFADRO C[C@H]1CCC[N@H+](CCNC(=O)C(=O)NCCc2c(Cl)cccc2Cl)C1 ZINC000515439315 564479325 /nfs/dbraw/zinc/47/93/25/564479325.db2.gz ROACXOAPAJERMG-ZDUSSCGKSA-N 1 0 386.323 2.500 20 0 GFADRO COC(=O)c1ccc(S(=O)(=O)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)s1 ZINC000515521897 564481208 /nfs/dbraw/zinc/48/12/08/564481208.db2.gz SKCUCDSBBQGMPU-OKILXGFUSA-N 1 0 388.555 2.571 20 0 GFADRO C[N@@H+]1CC[C@](O)(CNC(=O)c2ccc(-c3ccc(Br)cc3)s2)C1 ZINC000547275651 564481312 /nfs/dbraw/zinc/48/13/12/564481312.db2.gz JUSZWCKRQIWONQ-KRWDZBQOSA-N 1 0 395.322 2.974 20 0 GFADRO CC[NH+](CC)CC[C@@H](CO)NC(=O)Cc1cc(Cl)ccc1Br ZINC000515499621 564481264 /nfs/dbraw/zinc/48/12/64/564481264.db2.gz MUGXZQPGFFRISI-AWEZNQCLSA-N 1 0 391.737 2.854 20 0 GFADRO Cc1cc(F)c(Br)cc1S(=O)(=O)N1CC[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000480694185 564482476 /nfs/dbraw/zinc/48/24/76/564482476.db2.gz FLNCTUGEHFHVHL-BXUZGUMPSA-N 1 0 391.306 2.611 20 0 GFADRO C[C@@H]([NH2+]C[C@@H](O)CN1C[C@@H](C)O[C@H](C)C1)c1ccc(Br)s1 ZINC000569894052 564483035 /nfs/dbraw/zinc/48/30/35/564483035.db2.gz NTWWTBXGKLOYFY-FDYHWXHSSA-N 1 0 377.348 2.631 20 0 GFADRO Cc1cc(F)c(Br)cc1S(=O)(=O)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000480717472 564484292 /nfs/dbraw/zinc/48/42/92/564484292.db2.gz SSWYXBRNSNAUSB-HZMBPMFUSA-N 1 0 391.306 2.658 20 0 GFADRO C[C@H](NC(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1)c1cc(F)c(Cl)cc1Cl ZINC000569945769 564484668 /nfs/dbraw/zinc/48/46/68/564484668.db2.gz YSUHYFWWUBDPRL-WDEREUQCSA-N 1 0 390.286 2.862 20 0 GFADRO [NH3+]C[C@@H]1CC[C@H](NC(=O)Nc2ccc(I)cc2F)C1 ZINC000515673463 564484894 /nfs/dbraw/zinc/48/48/94/564484894.db2.gz ZPMABWDOYBHUPS-SCZZXKLOSA-N 1 0 377.201 2.679 20 0 GFADRO C[N@H+](CC(=O)N[C@@H]1CCOc2ccc(Br)cc21)[C@H]1CCSC1 ZINC000480731960 564485271 /nfs/dbraw/zinc/48/52/71/564485271.db2.gz AHXGFDZSJWAMJS-GXTWGEPZSA-N 1 0 385.327 2.826 20 0 GFADRO C[C@H](C[NH2+]C1CCN(Cc2cc(Cl)cc(Cl)c2)CC1)S(C)(=O)=O ZINC000515834001 564488623 /nfs/dbraw/zinc/48/86/23/564488623.db2.gz JADJFORLAZXMGC-GFCCVEGCSA-N 1 0 379.353 2.981 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)C(=O)CNC(=O)c2ccc(Cl)cc2Cl)[C@@H](C)C1 ZINC000547459883 564490070 /nfs/dbraw/zinc/49/00/70/564490070.db2.gz BEUCXSUUVVPPBK-LRDDRELGSA-N 1 0 386.323 2.912 20 0 GFADRO COC(=O)[C@@H](c1cccc(Cl)c1Cl)N1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000516066138 564492197 /nfs/dbraw/zinc/49/21/97/564492197.db2.gz VUTAFSQUPRWIGM-BLLLJJGKSA-N 1 0 387.307 2.895 20 0 GFADRO Cc1cc(N2CC[C@@H](NC(=O)[C@H]3CCCCC[NH2+]3)C2=O)ccc1Br ZINC000516067957 564492590 /nfs/dbraw/zinc/49/25/90/564492590.db2.gz NWUQGWZGLLISNT-HZPDHXFCSA-N 1 0 394.313 2.511 20 0 GFADRO COc1ccc(C[NH2+]C[C@@H](O)COc2cc(Cl)ccc2Cl)c(OC)n1 ZINC000516176121 564494826 /nfs/dbraw/zinc/49/48/26/564494826.db2.gz VGVKSWRCNPWURO-CYBMUJFWSA-N 1 0 387.263 2.935 20 0 GFADRO COc1ccc(C[NH2+]C[C@H](O)COc2cc(Cl)ccc2Cl)c(OC)n1 ZINC000516176122 564494994 /nfs/dbraw/zinc/49/49/94/564494994.db2.gz VGVKSWRCNPWURO-ZDUSSCGKSA-N 1 0 387.263 2.935 20 0 GFADRO CS(=O)(=O)N1CCCC[C@@H]1C[NH2+][C@@H]1CCc2sc(Br)cc21 ZINC000516199307 564495936 /nfs/dbraw/zinc/49/59/36/564495936.db2.gz YLNBFZGLWHIACQ-ZYHUDNBSSA-N 1 0 393.372 2.902 20 0 GFADRO Cc1ccc(NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C(C)C)C2)cc1Br ZINC000454083830 564496025 /nfs/dbraw/zinc/49/60/25/564496025.db2.gz DHIZULWHQJOTLA-AWEZNQCLSA-N 1 0 382.302 2.637 20 0 GFADRO CCCN1CCC[C@H]1C[NH2+]CCS(=O)(=O)c1cccc(Br)c1 ZINC000516278396 564499051 /nfs/dbraw/zinc/49/90/51/564499051.db2.gz TZNKURWREDULFN-HNNXBMFYSA-N 1 0 389.359 2.687 20 0 GFADRO C[C@@H]([NH2+]C[C@@H]1CC(=O)N(C2CC2)C1)c1ccc(I)cc1 ZINC000570285953 564499811 /nfs/dbraw/zinc/49/98/11/564499811.db2.gz KBCCOGFUURGIQO-NEPJUHHUSA-N 1 0 384.261 2.953 20 0 GFADRO [NH3+]CCN(CCc1ccccc1)C(=O)COc1ccccc1Br ZINC000516465363 564502728 /nfs/dbraw/zinc/50/27/28/564502728.db2.gz SIOBJSZHMWFLBD-UHFFFAOYSA-N 1 0 377.282 2.858 20 0 GFADRO O=C(NCCOc1ccc(Br)cc1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000570382390 564503821 /nfs/dbraw/zinc/50/38/21/564503821.db2.gz PBBHNQTZODMJLA-HNNXBMFYSA-N 1 0 396.329 2.859 20 0 GFADRO COCCO[C@@H]1COCC[C@@H]1[NH2+][C@@H](C)c1ccc(OC)cc1Br ZINC000547618777 564504197 /nfs/dbraw/zinc/50/41/97/564504197.db2.gz UCIDEVKGZGFANB-AFAVFJNCSA-N 1 0 388.302 2.929 20 0 GFADRO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@@H]1CCn2ccnc2C1 ZINC000547654659 564506103 /nfs/dbraw/zinc/50/61/03/564506103.db2.gz WKBGGIXFKUACAB-IUODEOHRSA-N 1 0 377.286 2.967 20 0 GFADRO C[C@H]1CN(c2ncnc3cc(F)c(Br)cc32)CC[N@@H+]1CC(C)(C)O ZINC000547709051 564507583 /nfs/dbraw/zinc/50/75/83/564507583.db2.gz LICCUBBPTYGHIH-NSHDSACASA-N 1 0 397.292 2.813 20 0 GFADRO CN1CCN(c2cc[nH+]cc2NC(=O)c2cc(F)ccc2Br)CC1 ZINC000516625390 564507757 /nfs/dbraw/zinc/50/77/57/564507757.db2.gz SXAYUETXANOVPK-UHFFFAOYSA-N 1 0 393.260 2.987 20 0 GFADRO FC(F)(F)c1cc(Br)ccc1C[NH2+][C@H]1CCc2nnnn2CC1 ZINC000516641573 564507796 /nfs/dbraw/zinc/50/77/96/564507796.db2.gz MRMMSYIDILGJIY-NSHDSACASA-N 1 0 390.207 2.949 20 0 GFADRO C[NH+](C)[C@@]1(CNC(=O)NCCc2ccccc2C(F)(F)F)CCSC1 ZINC000481261097 564508509 /nfs/dbraw/zinc/50/85/09/564508509.db2.gz DOAIKIDHFRXHPF-MRXNPFEDSA-N 1 0 375.460 2.984 20 0 GFADRO CCCN(Cc1ccccc1Br)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000570501446 564508780 /nfs/dbraw/zinc/50/87/80/564508780.db2.gz GLWJWLWGXQAHQM-OAHLLOKOSA-N 1 0 384.318 2.749 20 0 GFADRO Cc1ccc(-c2nc(NC(=O)C(=O)N[C@@H](C)CC[NH+](C)C)sc2C)s1 ZINC000570520561 564509996 /nfs/dbraw/zinc/50/99/96/564509996.db2.gz ZCLPTEUHHBHKPP-JTQLQIEISA-N 1 0 380.539 2.883 20 0 GFADRO COCC[N@H+](C)CCNC(=O)NCCc1ccc(Br)cc1Cl ZINC000454422000 564510064 /nfs/dbraw/zinc/51/00/64/564510064.db2.gz AHUJRWXFYWNHGQ-UHFFFAOYSA-N 1 0 392.725 2.522 20 0 GFADRO OC[C@H]([NH2+]C[C@H]1CN(c2ccccc2)CCO1)c1cccc(Br)c1 ZINC000570525186 564511076 /nfs/dbraw/zinc/51/10/76/564511076.db2.gz BBNOTHQVIARMBX-OALUTQOASA-N 1 0 391.309 2.978 20 0 GFADRO O[C@@H](C[NH2+][C@H]1CCc2c1ccc(F)c2Br)COC1CCOCC1 ZINC000516762701 564511409 /nfs/dbraw/zinc/51/14/09/564511409.db2.gz KMZUNEKVIFQKCQ-ZBEGNZNMSA-N 1 0 388.277 2.722 20 0 GFADRO C[C@@H](NS(=O)(=O)Cc1cc(Cl)ccc1Br)[C@H]1CCC[NH2+]C1 ZINC000516768963 564511716 /nfs/dbraw/zinc/51/17/16/564511716.db2.gz JSKJQDIPSWWOAQ-MNOVXSKESA-N 1 0 395.750 2.910 20 0 GFADRO C[C@@H](NS(=O)(=O)Cc1cc(Cl)ccc1Br)[C@@H]1CCC[NH2+]C1 ZINC000516768962 564511878 /nfs/dbraw/zinc/51/18/78/564511878.db2.gz JSKJQDIPSWWOAQ-GHMZBOCLSA-N 1 0 395.750 2.910 20 0 GFADRO COC(=O)c1cn(CC[NH2+][C@H](C)[C@@H](C)Oc2ccc(Cl)cc2Cl)nn1 ZINC000516794239 564512768 /nfs/dbraw/zinc/51/27/68/564512768.db2.gz YTZARKLEIVMGPU-GHMZBOCLSA-N 1 0 387.267 2.817 20 0 GFADRO CO[C@H](c1ccccc1Cl)[C@@H](C)[NH2+]CCNS(=O)(=O)c1ccccc1 ZINC000481493036 564514161 /nfs/dbraw/zinc/51/41/61/564514161.db2.gz JBOFFBXRZSTJGM-KDOFPFPSSA-N 1 0 382.913 2.984 20 0 GFADRO C[C@@H](Oc1ccc(Br)cc1)C(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000516926629 564517056 /nfs/dbraw/zinc/51/70/56/564517056.db2.gz TXVGFZZTXJEAFE-JLZZUVOBSA-N 1 0 397.313 2.571 20 0 GFADRO OC[C@@H]([NH2+]Cc1nc(-c2ccc(Br)cc2)c[nH]1)C1CCOCC1 ZINC000570715169 564517775 /nfs/dbraw/zinc/51/77/75/564517775.db2.gz SFUVMVCZUFHSNO-MRXNPFEDSA-N 1 0 380.286 2.716 20 0 GFADRO OCCC1(C[NH2+]C[C@H](O)COc2ccc(Cl)cc2Br)CC1 ZINC000516970214 564518713 /nfs/dbraw/zinc/51/87/13/564518713.db2.gz CRMKKXLOGDMTHM-LBPRGKRZSA-N 1 0 378.694 2.594 20 0 GFADRO CC(C)S(=O)(=O)c1c(Cl)cccc1NC(=O)NCC1CC[NH+](C)CC1 ZINC000516978777 564519774 /nfs/dbraw/zinc/51/97/74/564519774.db2.gz IRXFACKIQKREHA-UHFFFAOYSA-N 1 0 387.933 2.985 20 0 GFADRO CC(C)[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000570796612 564521817 /nfs/dbraw/zinc/52/18/17/564521817.db2.gz UHYCLCODOZIJAW-XQERAMJGSA-N 1 0 383.945 2.897 20 0 GFADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@H]1CCC[C@@H](N2CCCC2=O)C1 ZINC000570816750 564523061 /nfs/dbraw/zinc/52/30/61/564523061.db2.gz VKMRQNRTJOOTMF-VNQPRFMTSA-N 1 0 396.329 2.523 20 0 GFADRO C[C@@H](C[NH+](C)C)NC(=O)Nc1ccnn1Cc1ccccc1Br ZINC000481804058 564523963 /nfs/dbraw/zinc/52/39/63/564523963.db2.gz GDMJDUJJZVSOQD-LBPRGKRZSA-N 1 0 380.290 2.766 20 0 GFADRO C[NH+](C)C[C@H]1CN(Cc2cc(Br)cc(Br)c2)CCO1 ZINC000517110833 564524118 /nfs/dbraw/zinc/52/41/18/564524118.db2.gz JPTHNUSVPMVNJH-AWEZNQCLSA-N 1 0 392.135 2.974 20 0 GFADRO O=C(CN[C@@H](c1ccccc1)c1cccc(Br)c1)N1CC[NH2+]CC1 ZINC000570953508 564528776 /nfs/dbraw/zinc/52/87/76/564528776.db2.gz IEIMDPURVCPVQL-IBGZPJMESA-N 1 0 388.309 2.560 20 0 GFADRO O=C(NC[C@H]1C[NH2+]CCCO1)Nc1ccc(Br)cc1C(F)(F)F ZINC000571027675 564532778 /nfs/dbraw/zinc/53/27/78/564532778.db2.gz DGQHGTMFVWFGHQ-SNVBAGLBSA-N 1 0 396.207 2.968 20 0 GFADRO C[C@H](Cn1cc(Br)cn1)[NH2+][C@@H]1CCC(=O)N[C@H]1c1ccccc1 ZINC000571026679 564532794 /nfs/dbraw/zinc/53/27/94/564532794.db2.gz GPSOLHJJRQRIQP-VMGRFDJRSA-N 1 0 377.286 2.644 20 0 GFADRO O=S1(=O)CC[C@@H]([NH2+][C@@H]2CCc3c[nH]nc3C2)c2cc(Br)ccc21 ZINC000548154473 564533237 /nfs/dbraw/zinc/53/32/37/564533237.db2.gz HVOLVTGCCDKJKZ-TZMCWYRMSA-N 1 0 396.310 2.538 20 0 GFADRO C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CC(=O)N(c3cc(Cl)cc(Cl)c3)C2)C1 ZINC000517457156 564534876 /nfs/dbraw/zinc/53/48/76/564534876.db2.gz YNXFCJPTTMWNLZ-CHWSQXEVSA-N 1 0 384.307 2.804 20 0 GFADRO O=C(c1csc(I)c1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000517555653 564536727 /nfs/dbraw/zinc/53/67/27/564536727.db2.gz UIUNOXBBGJBMPI-ZDUSSCGKSA-N 1 0 376.263 2.568 20 0 GFADRO C[C@@H](CNCc1cn(-c2ccccc2Br)nn1)C[NH+]1CCCC1 ZINC000571210962 564540864 /nfs/dbraw/zinc/54/08/64/564540864.db2.gz SALMEUQDQYHXAT-AWEZNQCLSA-N 1 0 378.318 2.851 20 0 GFADRO C[C@@H](SC[C@@H]1CN(C)CCO1)C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000517741370 564540898 /nfs/dbraw/zinc/54/08/98/564540898.db2.gz LFJHZGOBCBBCNY-RISCZKNCSA-N 1 0 378.416 2.976 20 0 GFADRO CCCN(Cc1ccccc1Br)C(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000482519620 564544656 /nfs/dbraw/zinc/54/46/56/564544656.db2.gz PBSLCWSZOSYOCS-QGZVFWFLSA-N 1 0 380.330 2.578 20 0 GFADRO Cc1nc(CNC(=O)N2CC[N@H+](C)[C@H](C(C)C)C2)sc1Br ZINC000455241584 564545022 /nfs/dbraw/zinc/54/50/22/564545022.db2.gz YQYWKHBROIHYBS-NSHDSACASA-N 1 0 375.336 2.696 20 0 GFADRO Cn1ncc2c1CCC[C@H]2[NH2+]C[C@H](O)COc1cccc(Br)c1 ZINC000571315109 564545604 /nfs/dbraw/zinc/54/56/04/564545604.db2.gz BJZYMPQSTYTYSF-XJKSGUPXSA-N 1 0 380.286 2.590 20 0 GFADRO C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1 ZINC000482559687 564545626 /nfs/dbraw/zinc/54/56/26/564545626.db2.gz WPYVXAIYSFKAML-KBPBESRZSA-N 1 0 386.323 2.657 20 0 GFADRO CN(Cc1ccc(F)cc1Br)C(=O)C[N@H+](C)[C@@H]1CCSC1 ZINC000482789333 564549844 /nfs/dbraw/zinc/54/98/44/564549844.db2.gz KWEOGAGHSNYCBT-CYBMUJFWSA-N 1 0 375.307 2.984 20 0 GFADRO C[C@H](C[C@H](C)[NH3+])NC(=O)NCc1ccc(Cl)cc1I ZINC000571439529 564551783 /nfs/dbraw/zinc/55/17/83/564551783.db2.gz PXZIIXKBKZMSJK-DTWKUNHWSA-N 1 0 395.672 2.870 20 0 GFADRO COC(=O)CNC(=O)CC[NH+]1CCC(Cc2cc(Cl)ccc2Cl)CC1 ZINC000482886142 564552621 /nfs/dbraw/zinc/55/26/21/564552621.db2.gz GLIMFKCQZHXESC-UHFFFAOYSA-N 1 0 387.307 2.927 20 0 GFADRO C[C@@H]1CN(CCO)CCN1C(=O)Nc1ccc(Cl)cc1OCC(F)F ZINC000455425483 564553588 /nfs/dbraw/zinc/55/35/88/564553588.db2.gz MRTIUAVPLFZSKE-LLVKDONJSA-N 1 0 377.819 2.514 20 0 GFADRO CC1CC[NH+](C[C@@H](O)CNC(=O)CCc2ccc(Br)cc2)CC1 ZINC000483194415 564561164 /nfs/dbraw/zinc/56/11/64/564561164.db2.gz IPHHXJIMGBCKJZ-KRWDZBQOSA-N 1 0 383.330 2.591 20 0 GFADRO C[NH+](C)CCn1nccc1NC(=O)NCc1cc(Br)ccc1F ZINC000455652874 564562941 /nfs/dbraw/zinc/56/29/41/564562941.db2.gz ZREYELWFTGJFPH-UHFFFAOYSA-N 1 0 384.253 2.668 20 0 GFADRO C[NH+](C)CCn1nccc1NC(=O)N1CCc2ccc(Br)cc2C1 ZINC000455650844 564563278 /nfs/dbraw/zinc/56/32/78/564563278.db2.gz UYKWCOWTYIYVTH-UHFFFAOYSA-N 1 0 392.301 2.797 20 0 GFADRO C[C@@H]1CCNC(=O)[C@@H]1[NH2+]Cc1cc(Br)cc(Br)c1 ZINC000571717849 564563833 /nfs/dbraw/zinc/56/38/33/564563833.db2.gz HQOOKNDIUCSJDW-PRHODGIISA-N 1 0 376.092 2.826 20 0 GFADRO C[C@]1(CNC(=O)c2ccn(-c3cccc(Br)c3)n2)CCC[NH2+]C1 ZINC000571789637 564566287 /nfs/dbraw/zinc/56/62/87/564566287.db2.gz HTJOWCMKQXLELD-KRWDZBQOSA-N 1 0 377.286 2.754 20 0 GFADRO O=C([C@H]1CCN(c2cc(Cl)ccc2Cl)C1=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000571803127 564566995 /nfs/dbraw/zinc/56/69/95/564566995.db2.gz SNOFBMVVFDFXBU-KGLIPLIRSA-N 1 0 382.291 2.699 20 0 GFADRO CNC(=O)C[C@@H]([NH2+]CC(=O)N(C)Cc1ccc(Cl)s1)c1ccccc1 ZINC000483401116 564567641 /nfs/dbraw/zinc/56/76/41/564567641.db2.gz FHMSELGAIBQDTI-OAHLLOKOSA-N 1 0 379.913 2.827 20 0 GFADRO COCCNC(=O)[C@H]1CC[C@H](C)[N@H+](CCOc2cccc(Br)c2)C1 ZINC000519051720 564568155 /nfs/dbraw/zinc/56/81/55/564568155.db2.gz RGBCALALFUUUHL-GJZGRUSLSA-N 1 0 399.329 2.691 20 0 GFADRO COc1ccc(Br)c(C(=O)NCCC[NH2+]CC[C@H]2CCOC2)c1 ZINC000483438284 564568210 /nfs/dbraw/zinc/56/82/10/564568210.db2.gz LXRKYHDDUVJOBK-ZDUSSCGKSA-N 1 0 385.302 2.594 20 0 GFADRO Cc1c(Br)ccc(NC(=O)C(=O)N[C@@H](C)C[N@@H+](C)C(C)C)c1F ZINC000571846178 564569144 /nfs/dbraw/zinc/56/91/44/564569144.db2.gz PHLUQVYOSOTXQU-JTQLQIEISA-N 1 0 388.281 2.680 20 0 GFADRO CCn1c(C[NH2+][C@H]2CCN(CCOC)C2)nc2cc(Br)ccc21 ZINC000483498027 564569429 /nfs/dbraw/zinc/56/94/29/564569429.db2.gz KRYSFKVGRJHTBS-AWEZNQCLSA-N 1 0 381.318 2.629 20 0 GFADRO Cc1ncc(Br)cc1NC(=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000455791052 564570548 /nfs/dbraw/zinc/57/05/48/564570548.db2.gz AZHDGAAXYDVMMR-LBPRGKRZSA-N 1 0 399.333 2.709 20 0 GFADRO COCC[NH2+]C1CCN(C(=O)CCCOc2cccc(Br)c2)CC1 ZINC000571891497 564571892 /nfs/dbraw/zinc/57/18/92/564571892.db2.gz ZAPRQKWQHAATFB-UHFFFAOYSA-N 1 0 399.329 2.835 20 0 GFADRO COCC[N@@H+]1CC[C@H](N[C@@H](C)c2nc(-c3ccc(Br)cc3)no2)C1 ZINC000483654624 564572135 /nfs/dbraw/zinc/57/21/35/564572135.db2.gz OGKICUDLSHTOQJ-WFASDCNBSA-N 1 0 395.301 2.870 20 0 GFADRO CO[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000483693449 564573025 /nfs/dbraw/zinc/57/30/25/564573025.db2.gz ATDOVAGBLXQFMS-CWRNSKLLSA-N 1 0 376.266 2.875 20 0 GFADRO C[N@H+](C[C@@H](O)CN1CCC(Oc2cccc(Br)c2)CC1)C1CC1 ZINC000571961862 564574506 /nfs/dbraw/zinc/57/45/06/564574506.db2.gz PYFHEZDLITWDAO-MRXNPFEDSA-N 1 0 383.330 2.747 20 0 GFADRO Cc1ccccc1[C@@H]([C@H](C)NC(=O)NCc1n[nH]cc1Br)[NH+](C)C ZINC000548808944 564575640 /nfs/dbraw/zinc/57/56/40/564575640.db2.gz VATSTNLSGPQFAD-BLLLJJGKSA-N 1 0 394.317 2.971 20 0 GFADRO C[NH+](C)[C@]1(CNC(=O)[C@@]2(Cc3cccc(Cl)c3)CCOC2)CCSC1 ZINC000455862171 564575977 /nfs/dbraw/zinc/57/59/77/564575977.db2.gz KXNBEEMQZRXTRL-MOPGFXCFSA-N 1 0 382.957 2.843 20 0 GFADRO CC(C)OC[C@@H](O)C[NH2+][C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000519543075 564580544 /nfs/dbraw/zinc/58/05/44/564580544.db2.gz SJANOJYMMCEJAQ-OLZOCXBDSA-N 1 0 381.826 2.708 20 0 GFADRO C[C@@H]1[C@H](C)[N@H+](C)CCN1Cc1nc(Cc2cccc(Br)c2)no1 ZINC000519557197 564580742 /nfs/dbraw/zinc/58/07/42/564580742.db2.gz JOLSAVKWPVHOLM-QWHCGFSZSA-N 1 0 379.302 2.947 20 0 GFADRO O=C(Nc1ccc(I)cc1F)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000519553453 564580758 /nfs/dbraw/zinc/58/07/58/564580758.db2.gz RKLBQBSPPSVITR-ZJUUUORDSA-N 1 0 389.212 2.504 20 0 GFADRO O=C(NCC[N@@H+]1CCCOCC1)Nc1cc(Cl)cc(Br)c1 ZINC000455977793 564582558 /nfs/dbraw/zinc/58/25/58/564582558.db2.gz YQMGWEVGVJXXJU-UHFFFAOYSA-N 1 0 376.682 2.946 20 0 GFADRO CCCC[N@@H+]1CCCC[C@@H]1CNS(=O)(=O)c1cncc(Br)c1 ZINC000548978060 564583105 /nfs/dbraw/zinc/58/31/05/564583105.db2.gz DSEKWTYINCRVFH-CQSZACIVSA-N 1 0 390.347 2.777 20 0 GFADRO Brc1csc(-c2noc(-c3cn(C[C@H]4CCC[NH2+]4)nn3)n2)c1 ZINC000519596428 564583658 /nfs/dbraw/zinc/58/36/58/564583658.db2.gz RMLUKYHWOTYUFF-SECBINFHSA-N 1 0 381.259 2.571 20 0 GFADRO COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000484239319 564584521 /nfs/dbraw/zinc/58/45/21/564584521.db2.gz BBYQJZAWOBQCRE-NSHDSACASA-N 1 0 386.279 2.636 20 0 GFADRO O=C(NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)C1CN(CC(F)(F)F)C1 ZINC000484267800 564585091 /nfs/dbraw/zinc/58/50/91/564585091.db2.gz LJFBPKJHNOKLBH-ZDUSSCGKSA-N 1 0 375.460 2.570 20 0 GFADRO COCCN(C)C[C@H](O)C[NH2+][C@](C)(c1ccc(Br)cc1)C(C)C ZINC000519703847 564587608 /nfs/dbraw/zinc/58/76/08/564587608.db2.gz LCJZPQJUVHIRJZ-MSOLQXFVSA-N 1 0 387.362 2.849 20 0 GFADRO C[C@@]1(C[NH2+]CCS(=O)(=O)c2cccc(Br)c2)CCCC[C@H]1O ZINC000572286144 564588028 /nfs/dbraw/zinc/58/80/28/564588028.db2.gz VCPGNLWJBODRDG-CVEARBPZSA-N 1 0 390.343 2.754 20 0 GFADRO C[C@@H]1CN(S(=O)(=O)c2ccc3ccccc3c2Br)[C@H](C)C[NH2+]1 ZINC000572284853 564588039 /nfs/dbraw/zinc/58/80/39/564588039.db2.gz HPFPUFNUMRENES-VXGBXAGGSA-N 1 0 383.311 2.973 20 0 GFADRO C[C@H]([NH2+]C[C@@]1(CCO)CCOC1)c1ccccc1I ZINC000484498937 564589233 /nfs/dbraw/zinc/58/92/33/564589233.db2.gz AFLSUPQFYJKICW-SWLSCSKDSA-N 1 0 375.250 2.731 20 0 GFADRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)c1nnn(-c2ccc(Br)cc2)c1C1CC1 ZINC000519816849 564592235 /nfs/dbraw/zinc/59/22/35/564592235.db2.gz JBNRNYRKUGVTHT-GHMZBOCLSA-N 1 0 392.301 2.763 20 0 GFADRO C[C@H](CCN1CC[NH+](C)CC1)Nc1ncc2scc(Br)c2n1 ZINC000572378403 564592369 /nfs/dbraw/zinc/59/23/69/564592369.db2.gz CIIDUJDIVWRNJZ-LLVKDONJSA-N 1 0 384.347 2.892 20 0 GFADRO CS[C@@H]1CN(Cc2csc(CC(=O)OC(C)C)n2)C[C@@H]1[NH+]1CCCC1 ZINC000484632536 564592745 /nfs/dbraw/zinc/59/27/45/564592745.db2.gz LROSIEHSHUJQLS-JKSUJKDBSA-N 1 0 383.583 2.649 20 0 GFADRO CCO[C@H]1COCC[C@@H]1[NH2+]CCS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000484646571 564593607 /nfs/dbraw/zinc/59/36/07/564593607.db2.gz XVIMXYGNPRFFDQ-KBPBESRZSA-N 1 0 382.309 2.551 20 0 GFADRO CS[C@@H]1CN(S(=O)(=O)Cc2ccc(C(F)F)cc2)C[C@@H]1[NH+]1CCCC1 ZINC000549405705 564594094 /nfs/dbraw/zinc/59/40/94/564594094.db2.gz GURWSNAECCQCIS-JKSUJKDBSA-N 1 0 390.521 2.966 20 0 GFADRO CS[C@@H]1CN(C[C@H](O)COc2cc(C)ccc2Cl)C[C@@H]1[NH+]1CCCC1 ZINC000484660180 564594757 /nfs/dbraw/zinc/59/47/57/564594757.db2.gz YJCDOHFAPKRZSF-VDZJLULYSA-N 1 0 384.973 2.900 20 0 GFADRO Cc1cc(NC(=O)C(=O)NCC(C)(C)C[NH+]2CCCC2)ccc1Br ZINC000484810439 564599633 /nfs/dbraw/zinc/59/96/33/564599633.db2.gz IUUYYYLSGBWGLU-UHFFFAOYSA-N 1 0 396.329 2.934 20 0 GFADRO COCC1(C(=O)NCc2cc(Cl)ccc2Br)CC[NH2+]CC1 ZINC000520226305 564600170 /nfs/dbraw/zinc/60/01/70/564600170.db2.gz IJQUFCMQPRIFAY-UHFFFAOYSA-N 1 0 375.694 2.735 20 0 GFADRO O=C(Nc1nc(SCc2ccccc2)ns1)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000572583873 564600931 /nfs/dbraw/zinc/60/09/31/564600931.db2.gz VUBOUNBSFQHKJA-KGLIPLIRSA-N 1 0 375.523 2.904 20 0 GFADRO COc1ccc(C(=O)NCCC[C@H]2CCC[NH2+]2)c(I)c1 ZINC000572594392 564601689 /nfs/dbraw/zinc/60/16/89/564601689.db2.gz JYVYXLBXKKRWHM-LLVKDONJSA-N 1 0 388.249 2.562 20 0 GFADRO O=C(CCNC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1)Nc1cc(Cl)cc(Cl)c1 ZINC000572619744 564602346 /nfs/dbraw/zinc/60/23/46/564602346.db2.gz KHCSHOOAGUAEJM-OAHLLOKOSA-N 1 0 385.295 2.858 20 0 GFADRO C[C@@H]1C[N@H+](C)CCN1c1ccc(Br)cc1NC(=O)[C@@H]1CCCOC1 ZINC000456363794 564602783 /nfs/dbraw/zinc/60/27/83/564602783.db2.gz FZHWUAWDJBYGAE-ZIAGYGMSSA-N 1 0 396.329 2.955 20 0 GFADRO CN(C(=O)c1ccc(-n2cc(Br)cn2)cc1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000520371581 564602942 /nfs/dbraw/zinc/60/29/42/564602942.db2.gz YQWAWTLAMOGWHZ-KRWDZBQOSA-N 1 0 389.297 2.944 20 0 GFADRO CCC[N@H+](CC)CCNC(=O)C(=O)Nc1cccc(Br)c1Cl ZINC000549714872 564603036 /nfs/dbraw/zinc/60/30/36/564603036.db2.gz NUZARSGTGRSZPZ-UHFFFAOYSA-N 1 0 390.709 2.889 20 0 GFADRO CN(C)C1(C[NH2+]C[C@@H](O)COc2ccc(Cl)cc2Br)CCC1 ZINC000520398737 564603254 /nfs/dbraw/zinc/60/32/54/564603254.db2.gz BJMLWYRMDIAKBG-CYBMUJFWSA-N 1 0 391.737 2.916 20 0 GFADRO CSCc1cnc(C[NH2+]CCCN2C(=O)NC3(CCCCC3)C2=O)s1 ZINC000549711897 564603295 /nfs/dbraw/zinc/60/32/95/564603295.db2.gz WOONAODUTPALMR-UHFFFAOYSA-N 1 0 382.555 2.741 20 0 GFADRO C[C@@H]1C[N@H+](C)CCN1c1ccc(Br)cc1NC(=O)c1ccon1 ZINC000456376293 564603747 /nfs/dbraw/zinc/60/37/47/564603747.db2.gz RVLFZYWWWLTYNC-LLVKDONJSA-N 1 0 379.258 2.830 20 0 GFADRO C[N@@H+]1C[C@@H]2CCCN(C(=O)c3cccc(F)c3I)[C@@H]2C1 ZINC000520398759 564603947 /nfs/dbraw/zinc/60/39/47/564603947.db2.gz BYPJNAPSWZMYGY-GXFFZTMASA-N 1 0 388.224 2.597 20 0 GFADRO C[C@H](NC(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1)c1ncc(Br)cn1 ZINC000520945619 564616828 /nfs/dbraw/zinc/61/68/28/564616828.db2.gz RIEKSJCEGIIWFC-FZMZJTMJSA-N 1 0 382.306 2.616 20 0 GFADRO CC1CC[NH+](C[C@H]2CCCN(C(=O)c3nn(C)cc3Br)C2)CC1 ZINC000550304071 564619556 /nfs/dbraw/zinc/61/95/56/564619556.db2.gz QSIJJJNUWCLIAO-CQSZACIVSA-N 1 0 383.334 2.767 20 0 GFADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)C1(Cc2ccccc2Br)CC1 ZINC000550313625 564619745 /nfs/dbraw/zinc/61/97/45/564619745.db2.gz HZGBJUFROVSFKU-INIZCTEOSA-N 1 0 395.341 2.999 20 0 GFADRO O=C(NCc1ccc(I)c(Cl)c1)[C@@H]1CCCC[NH2+]1 ZINC000573093015 564622872 /nfs/dbraw/zinc/62/28/72/564622872.db2.gz JAWOJLQAMFWQGG-LBPRGKRZSA-N 1 0 378.641 2.703 20 0 GFADRO Cc1cc(Br)ccc1CC(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000485658081 564622131 /nfs/dbraw/zinc/62/21/31/564622131.db2.gz TZAAWNPSHIKDIP-UHFFFAOYSA-N 1 0 383.330 2.869 20 0 GFADRO CCCN(CCC[NH+](C)C)C(=O)C(=O)N[C@H](C)c1ccc(Br)cc1 ZINC000550365280 564622744 /nfs/dbraw/zinc/62/27/44/564622744.db2.gz XKWHZCKMYGYLET-CQSZACIVSA-N 1 0 398.345 2.817 20 0 GFADRO C[C@@H](NC(=O)C(=O)NCCSc1ccc(Cl)cc1)C(C)(C)C[NH+](C)C ZINC000550455440 564624991 /nfs/dbraw/zinc/62/49/91/564624991.db2.gz LAZFKFRLSLIRLO-CYBMUJFWSA-N 1 0 385.961 2.641 20 0 GFADRO CSC1(CNC(=O)c2ncccc2OCC(F)(F)F)CC[NH+](C)CC1 ZINC000573147199 564625558 /nfs/dbraw/zinc/62/55/58/564625558.db2.gz UCNNEBLPZABAOX-UHFFFAOYSA-N 1 0 377.432 2.580 20 0 GFADRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)Nc1c(C)cc(Br)cc1C ZINC000521382518 564626127 /nfs/dbraw/zinc/62/61/27/564626127.db2.gz HDSHHWTVMZSHBY-CYBMUJFWSA-N 1 0 384.318 2.851 20 0 GFADRO O=C(NCc1ccc(Br)cc1Cl)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000485800657 564626212 /nfs/dbraw/zinc/62/62/12/564626212.db2.gz VPDWTCNJGBJOGY-JTQLQIEISA-N 1 0 383.677 2.833 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H](CNC(=O)c2ccc(-n3cc(Br)cn3)cc2)C1 ZINC000521425811 564626674 /nfs/dbraw/zinc/62/66/74/564626674.db2.gz YHAPOMDHJYNOKN-IUODEOHRSA-N 1 0 377.286 2.882 20 0 GFADRO CN1CCN(c2cc[nH+]cc2NC(=O)c2ccc(Br)cc2F)CC1 ZINC000521388326 564626729 /nfs/dbraw/zinc/62/67/29/564626729.db2.gz GOPKBTJHGFLHRI-UHFFFAOYSA-N 1 0 393.260 2.987 20 0 GFADRO O=C(CC[NH2+]C[C@@H](O)COc1ccc(Br)cc1)NC1CCCCC1 ZINC000573199209 564627415 /nfs/dbraw/zinc/62/74/15/564627415.db2.gz OROSHONNWDTJAU-MRXNPFEDSA-N 1 0 399.329 2.617 20 0 GFADRO O=C(Cc1ccc(I)cc1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000485856711 564628035 /nfs/dbraw/zinc/62/80/35/564628035.db2.gz RXRCCWINOLEJAR-MRXNPFEDSA-N 1 0 398.288 2.921 20 0 GFADRO COC(=O)C[C@@H]([NH2+]Cc1cc(Cl)cc(S(N)(=O)=O)c1)C1CCCCC1 ZINC000573210878 564628295 /nfs/dbraw/zinc/62/82/95/564628295.db2.gz ZWUNUNIPJDSGCA-MRXNPFEDSA-N 1 0 388.917 2.589 20 0 GFADRO C[C@H](CNC(=O)CNC(=O)c1ccc(Cl)c(Cl)c1)[N@@H+]1CCC[C@H](C)C1 ZINC000521473466 564628851 /nfs/dbraw/zinc/62/88/51/564628851.db2.gz DJXVWWDAWJMULM-QWHCGFSZSA-N 1 0 386.323 2.960 20 0 GFADRO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NC1(c2ccc(Br)cc2)CCOCC1 ZINC000485889117 564630086 /nfs/dbraw/zinc/63/00/86/564630086.db2.gz OAOZLMFEDAQFMV-BBRMVZONSA-N 1 0 381.314 2.769 20 0 GFADRO C[NH+](C)C[C@@H]1CCCN1S(=O)(=O)Cc1ccc(Cl)cc1Br ZINC000485927280 564632129 /nfs/dbraw/zinc/63/21/29/564632129.db2.gz UYCKUROBMGYLIV-ZDUSSCGKSA-N 1 0 395.750 2.958 20 0 GFADRO COCC[NH2+]C1CCN(C(=O)Nc2ccc(Br)c(C3CC3)n2)CC1 ZINC000521634785 564632474 /nfs/dbraw/zinc/63/24/74/564632474.db2.gz VBKRTPQPGGULIU-UHFFFAOYSA-N 1 0 397.317 2.954 20 0 GFADRO CCC[N@H+](CC)CC(=O)N1CCN(Cc2ccc(Br)s2)CC1 ZINC000521814344 564636728 /nfs/dbraw/zinc/63/67/28/564636728.db2.gz WFNVRKNAWUOXKX-UHFFFAOYSA-N 1 0 388.375 2.887 20 0 GFADRO O=C(c1ccc(-n2cc(Br)cn2)cc1)N1CCC2(CC[NH2+]C2)CC1 ZINC000521870769 564637540 /nfs/dbraw/zinc/63/75/40/564637540.db2.gz KRMRIDXHAGGBPS-UHFFFAOYSA-N 1 0 389.297 2.851 20 0 GFADRO COc1ccc(Cl)cc1S(=O)(=O)N1C[C@@H](SC)[C@H]([NH+]2CCCC2)C1 ZINC000486091515 564638714 /nfs/dbraw/zinc/63/87/14/564638714.db2.gz FZRRTISYEZDDPK-UKRRQHHQSA-N 1 0 390.958 2.549 20 0 GFADRO CN(C(=O)c1cc(Br)c2c(c1)OCCO2)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000521931060 564639550 /nfs/dbraw/zinc/63/95/50/564639550.db2.gz NOTAYVCVCUGLOQ-CYBMUJFWSA-N 1 0 381.270 2.529 20 0 GFADRO C[C@@H]1CN(C(=O)c2ccc(F)c(Br)c2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000486145392 564641029 /nfs/dbraw/zinc/64/10/29/564641029.db2.gz BXONZZLCUNZNMC-CXAGYDPISA-N 1 0 398.320 2.686 20 0 GFADRO C[C@@H](Nc1cc(N2CCSCC2)ncn1)c1ncc(Br)cn1 ZINC000573543661 564642596 /nfs/dbraw/zinc/64/25/96/564642596.db2.gz WLWDPUJSCULZOZ-SNVBAGLBSA-N 1 0 381.303 2.755 20 0 GFADRO O=C(C[NH2+][C@H]1CCCSC1)Nc1ccc(I)cc1 ZINC000551238031 564644004 /nfs/dbraw/zinc/64/40/04/564644004.db2.gz RFLVEHKOXQEIAY-LBPRGKRZSA-N 1 0 376.263 2.715 20 0 GFADRO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@H](c1cccs1)N(C)C ZINC000551265961 564644929 /nfs/dbraw/zinc/64/49/29/564644929.db2.gz ROEFINMMMMZKRU-GXTWGEPZSA-N 1 0 384.343 2.953 20 0 GFADRO CO[C@H]1CCN(C(=O)NCCOc2cccc(Cl)c2Cl)[C@@H](C[NH3+])C1 ZINC000573582690 564645236 /nfs/dbraw/zinc/64/52/36/564645236.db2.gz JUUWSZHXVZPZGE-NEPJUHHUSA-N 1 0 376.284 2.520 20 0 GFADRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(I)ccc2F)C1 ZINC000457097901 564646760 /nfs/dbraw/zinc/64/67/60/564646760.db2.gz SOOCOPFZCQUKHT-GFCCVEGCSA-N 1 0 390.240 2.985 20 0 GFADRO O=C(N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)N[C@@H]1CCOc2c(Br)cccc21 ZINC000573786335 564654562 /nfs/dbraw/zinc/65/45/62/564654562.db2.gz YGZHBHOEWRKZRL-BRXULGCHSA-N 1 0 394.313 2.960 20 0 GFADRO C[N@H+](CC(=O)N1CCC[C@H]1c1ccc(Br)cn1)[C@H]1CCSC1 ZINC000457320929 564655728 /nfs/dbraw/zinc/65/57/28/564655728.db2.gz AZLAKURZMBFYGH-ZFWWWQNUSA-N 1 0 384.343 2.945 20 0 GFADRO C[C@@H](NS(=O)(=O)c1cncc(Cl)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000486595577 564657546 /nfs/dbraw/zinc/65/75/46/564657546.db2.gz OUKUTEZEBDDAAO-GDBMZVCRSA-N 1 0 379.913 2.924 20 0 GFADRO C[C@H]1CN(C(=O)C(=O)Nc2ccc(Br)cc2)CC[N@@H+](C2CCC2)C1 ZINC000551626309 564657750 /nfs/dbraw/zinc/65/77/50/564657750.db2.gz IWMKUCYMHFBRAJ-CYBMUJFWSA-N 1 0 394.313 2.720 20 0 GFADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCc2ccc(Br)cc2C1 ZINC000551656932 564658845 /nfs/dbraw/zinc/65/88/45/564658845.db2.gz XNRSDSHVSBFEDS-QGZVFWFLSA-N 1 0 396.329 2.628 20 0 GFADRO O=C(Nc1cccc(Oc2ncc(Br)cn2)c1)N[C@@H]1CCC[NH2+]C1 ZINC000573937028 564660506 /nfs/dbraw/zinc/66/05/06/564660506.db2.gz ZEFOSRSWYDWMKR-CYBMUJFWSA-N 1 0 392.257 2.905 20 0 GFADRO C[C@@H](NC(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1)c1ccc(Br)cc1 ZINC000457451155 564661648 /nfs/dbraw/zinc/66/16/48/564661648.db2.gz HYTPIDFJZBDWRP-HZSPNIEDSA-N 1 0 384.318 2.607 20 0 GFADRO COc1ccc(Br)cc1C(=O)N1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000573953356 564661882 /nfs/dbraw/zinc/66/18/82/564661882.db2.gz ZMWILCKKEQSFMJ-PBHICJAKSA-N 1 0 397.313 2.816 20 0 GFADRO COc1cc(CNC(=O)c2cc(Br)co2)ccc1OCC[NH+](C)C ZINC000457520878 564664219 /nfs/dbraw/zinc/66/42/19/564664219.db2.gz FQOCXCOSAZBDRL-UHFFFAOYSA-N 1 0 397.269 2.921 20 0 GFADRO CSC[C@H]([NH2+]CC1(O)CCS(=O)(=O)CC1)c1ccc(C(F)(F)F)cc1 ZINC000551811651 564664470 /nfs/dbraw/zinc/66/44/70/564664470.db2.gz NEJROTYRTZCTNL-AWEZNQCLSA-N 1 0 397.484 2.639 20 0 GFADRO C[N@@H+]1CCC[C@@H]1CNC(=O)N1CCO[C@H](c2cccc(Br)c2)C1 ZINC000523331154 564665110 /nfs/dbraw/zinc/66/51/10/564665110.db2.gz JESLBQJKHRFUPR-CVEARBPZSA-N 1 0 382.302 2.626 20 0 GFADRO Cc1cc(S(=O)(=O)N2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)c(Cl)cc1F ZINC000574025713 564665386 /nfs/dbraw/zinc/66/53/86/564665386.db2.gz BRLMQXJQGSIREN-CJNGLKHVSA-N 1 0 390.908 2.695 20 0 GFADRO Cc1c(Br)ccnc1NC(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000574056384 564666515 /nfs/dbraw/zinc/66/65/15/564666515.db2.gz BSFSZILFAXXODX-UHFFFAOYSA-N 1 0 397.317 2.729 20 0 GFADRO C[C@H](NC(=O)NC[C@@H]1CCCC[N@@H+]1CCO)c1cccc(Br)c1 ZINC000457690912 564669394 /nfs/dbraw/zinc/66/93/94/564669394.db2.gz XPCQPPRPPRCZBV-BBRMVZONSA-N 1 0 384.318 2.656 20 0 GFADRO C[C@H](CC[NH+](C)C)NC(=O)N[C@@H]1CCN(c2ccccc2Br)C1 ZINC000523600945 564669914 /nfs/dbraw/zinc/66/99/14/564669914.db2.gz NJXXOIFEUPKJGW-ZIAGYGMSSA-N 1 0 383.334 2.667 20 0 GFADRO O=C(NCC[C@H]1CC[NH2+]C1)Nc1cc(Br)ccc1-n1cccn1 ZINC000574175876 564670625 /nfs/dbraw/zinc/67/06/25/564670625.db2.gz RKGWQYAOBBXONZ-GFCCVEGCSA-N 1 0 378.274 2.756 20 0 GFADRO CC[NH+]1CCN([C@@H](C)CNC(=O)C(C)(C)c2cccc(Br)c2)CC1 ZINC000523662115 564670869 /nfs/dbraw/zinc/67/08/69/564670869.db2.gz URGXYUZTOUEBNT-HNNXBMFYSA-N 1 0 396.373 2.869 20 0 GFADRO OCC[C@H]([NH2+]C[C@H](O)COC[C@H]1CCCO1)c1ccc(Cl)c(Cl)c1 ZINC000552006368 564673199 /nfs/dbraw/zinc/67/31/99/564673199.db2.gz LXCLPGYEIYBQAG-VBQJREDUSA-N 1 0 378.296 2.563 20 0 GFADRO O=C(NC[C@]1(O)C[NH+]2CCC1CC2)c1csc(-c2ccc(Cl)cc2)n1 ZINC000552026522 564674022 /nfs/dbraw/zinc/67/40/22/564674022.db2.gz SIOLUHWVDFNZOG-SFHVURJKSA-N 1 0 377.897 2.650 20 0 GFADRO O=C(NC[C@@]1(O)C[NH+]2CCC1CC2)C1(c2ccc(Cl)c(Cl)c2)CCC1 ZINC000552027487 564674157 /nfs/dbraw/zinc/67/41/57/564674157.db2.gz MZBAOVCGAOTIBP-LJQANCHMSA-N 1 0 383.319 2.988 20 0 GFADRO Cc1cc(S(=O)(=O)N2CCC[C@@H]([NH+](C)C)C2)c(C)cc1Br ZINC000523937961 564674893 /nfs/dbraw/zinc/67/48/93/564674893.db2.gz OSKSEGXZLASEKV-CYBMUJFWSA-N 1 0 375.332 2.781 20 0 GFADRO C[C@H](Sc1ccc(Br)cc1)C(=O)NC[C@]1(O)C[NH+]2CCC1CC2 ZINC000552026802 564674869 /nfs/dbraw/zinc/67/48/69/564674869.db2.gz DXXZAIJZCUXWGE-SJCJKPOMSA-N 1 0 399.354 2.503 20 0 GFADRO Cc1cc(C(=O)N2CCN(CC[NH+](C)C)CC2)cc(Cl)c1Br ZINC000574468270 564675527 /nfs/dbraw/zinc/67/55/27/564675527.db2.gz HRDOFIPDERALAX-UHFFFAOYSA-N 1 0 388.737 2.730 20 0 GFADRO O=C(C[NH2+][C@H](CCO)c1ccc(Cl)cc1)Nc1cccc2nsnc21 ZINC000574507047 564677392 /nfs/dbraw/zinc/67/73/92/564677392.db2.gz IIFMKWOCVAJIAI-CYBMUJFWSA-N 1 0 376.869 2.997 20 0 GFADRO C[C@@H](Sc1ccc(Cl)cc1)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000524134878 564677448 /nfs/dbraw/zinc/67/74/48/564677448.db2.gz ACQNGGUHJQZXCH-ZIAGYGMSSA-N 1 0 383.945 2.524 20 0 GFADRO Cc1sc(NC(=O)C(=O)NC[C@H](c2cccs2)[NH+](C)C)nc1C(C)C ZINC000574531463 564677868 /nfs/dbraw/zinc/67/78/68/564677868.db2.gz DDUUUFWVLUASNZ-GFCCVEGCSA-N 1 0 380.539 2.994 20 0 GFADRO C[N@@H+]1CC[C@H]2CCN(C(=O)c3c(O)cnc4c(Br)cccc43)[C@@H]2C1 ZINC000487175575 564678441 /nfs/dbraw/zinc/67/84/41/564678441.db2.gz ZWVZPHXVYFUGFP-SMDDNHRTSA-N 1 0 390.281 2.869 20 0 GFADRO COC(=O)c1cc(Br)cc(C(=O)N[C@@H]2CCC[N@@H+](C(C)C)C2)c1 ZINC000487200350 564679294 /nfs/dbraw/zinc/67/92/94/564679294.db2.gz YSMJQWSWRZMSQS-OAHLLOKOSA-N 1 0 383.286 2.838 20 0 GFADRO CC(C)(C)C1=CC[N@H+](CCNC(=O)c2cc[nH]c(=O)c2Br)CC1 ZINC000552164149 564679988 /nfs/dbraw/zinc/67/99/88/564679988.db2.gz WXVYTVYMFSPLBK-UHFFFAOYSA-N 1 0 382.302 2.958 20 0 GFADRO C[N@H+](CC(=O)N1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1)[C@@H]1CCSC1 ZINC000457953619 564680697 /nfs/dbraw/zinc/68/06/97/564680697.db2.gz ZCIVVXGDNNIRGR-ZIAGYGMSSA-N 1 0 380.476 2.631 20 0 GFADRO C[C@@H](CNC(=O)CCc1nc2cc(Cl)ccc2s1)N1CC[NH+](C)CC1 ZINC000524421150 564682018 /nfs/dbraw/zinc/68/20/18/564682018.db2.gz QETUHXDFGHSEFW-ZDUSSCGKSA-N 1 0 380.945 2.634 20 0 GFADRO C[NH+](C)CCOC1CCN(C(=O)NCc2ccc(Br)s2)CC1 ZINC000524517832 564682458 /nfs/dbraw/zinc/68/24/58/564682458.db2.gz UHPWBFRWMUOKMA-UHFFFAOYSA-N 1 0 390.347 2.763 20 0 GFADRO Cc1cc(NC(=O)C(=O)N[C@@H](C)C[N@@H+](C)C(C)C)c(F)cc1Br ZINC000574681916 564684161 /nfs/dbraw/zinc/68/41/61/564684161.db2.gz IOQBDGBURFZQHU-NSHDSACASA-N 1 0 388.281 2.680 20 0 GFADRO C[NH+](C)C[C@H]1CCCCN1C(=O)CCNC(=O)c1ccc(Br)cc1 ZINC000524701195 564685360 /nfs/dbraw/zinc/68/53/60/564685360.db2.gz RTSGFMCJWNFWNN-MRXNPFEDSA-N 1 0 396.329 2.512 20 0 GFADRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)N(CCO)Cc2cccc(Br)c2)C1 ZINC000487411736 564687146 /nfs/dbraw/zinc/68/71/46/564687146.db2.gz PRIWTLYPNGJKGJ-SJORKVTESA-N 1 0 398.345 2.826 20 0 GFADRO CC(C)(C[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Cl)C1(O)CCOCC1 ZINC000575053170 564691801 /nfs/dbraw/zinc/69/18/01/564691801.db2.gz BCIPUMPIHWJDRV-CQSZACIVSA-N 1 0 392.323 2.890 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)[C@@H]2CC(=O)N(c3cc(Cl)cc(Cl)c3)C2)CC[N@@H+]1C ZINC000525105806 564693001 /nfs/dbraw/zinc/69/30/01/564693001.db2.gz WPNNBDVDSKDGKE-LALPHHSUSA-N 1 0 384.307 2.945 20 0 GFADRO CC[N@H+](CCNC(=O)NCc1nc2c(cccc2Br)[nH]1)C(C)C ZINC000458199948 564693290 /nfs/dbraw/zinc/69/32/90/564693290.db2.gz KFJQANBEJRNFJZ-UHFFFAOYSA-N 1 0 382.306 2.855 20 0 GFADRO O=C(CC[NH2+][C@H]1CCCN(CC(F)(F)F)C1=O)Nc1cccc(Cl)c1 ZINC000575248712 564695255 /nfs/dbraw/zinc/69/52/55/564695255.db2.gz QFSNPWMHSSTUCT-ZDUSSCGKSA-N 1 0 377.794 2.812 20 0 GFADRO C[N@H+](CCNC(=O)NCc1nc2c(cccc2Br)[nH]1)C1CCCC1 ZINC000458332230 564698237 /nfs/dbraw/zinc/69/82/37/564698237.db2.gz HSLSKEDWORWAMJ-UHFFFAOYSA-N 1 0 394.317 2.999 20 0 GFADRO CC(C)[C@@H]1CN(C[C@@H](O)COc2cc(F)cc(Br)c2)CC[N@@H+]1C ZINC000487969751 564700643 /nfs/dbraw/zinc/70/06/43/564700643.db2.gz INIASQNBFKMPAE-WBVHZDCISA-N 1 0 389.309 2.600 20 0 GFADRO C[C@@H](CNC(=O)N1CC[C@@]2(CC[NH2+]C2)C1)Oc1ccc(Br)cc1 ZINC000575733720 564702207 /nfs/dbraw/zinc/70/22/07/564702207.db2.gz UMPPWLDIJVOOAD-SUMWQHHRSA-N 1 0 382.302 2.611 20 0 GFADRO C[C@@H]1CN(C(=O)N[C@@H]2COc3c2ccc(Cl)c3Cl)C[C@H](C)[N@H+]1CCO ZINC000458466642 564702553 /nfs/dbraw/zinc/70/25/53/564702553.db2.gz OJOFRRQXJRFROG-UHIISALHSA-N 1 0 388.295 2.523 20 0 GFADRO O=S1(=O)C[C@@H](C[NH2+]Cc2sccc2Br)Oc2ccccc21 ZINC000575748474 564703174 /nfs/dbraw/zinc/70/31/74/564703174.db2.gz MQWWDAGFMFJGOJ-SNVBAGLBSA-N 1 0 388.308 2.835 20 0 GFADRO Cc1cnccc1CC[NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000575742471 564703241 /nfs/dbraw/zinc/70/32/41/564703241.db2.gz GZWPFXBNGLOTEV-MRXNPFEDSA-N 1 0 383.261 2.864 20 0 GFADRO Cc1cc(C(=O)NC[C@@H](C)C[NH+](C)C)nn1-c1ccc(Br)cc1 ZINC000552886385 564704517 /nfs/dbraw/zinc/70/45/17/564704517.db2.gz FEJPKUFBFICTIP-GFCCVEGCSA-N 1 0 379.302 2.871 20 0 GFADRO C[NH+](C)CCN(Cc1ccsc1)C(=O)N[C@@H]1CCO[C@]2(CCSC2)C1 ZINC000458546805 564705516 /nfs/dbraw/zinc/70/55/16/564705516.db2.gz AOTQAFBLAMZWDU-SJLPKXTDSA-N 1 0 383.583 2.876 20 0 GFADRO C[NH+](C)CCN(Cc1ccsc1)C(=O)NCCOc1ccc(Cl)cn1 ZINC000458546503 564705730 /nfs/dbraw/zinc/70/57/30/564705730.db2.gz OYQLWDTXBPASGA-UHFFFAOYSA-N 1 0 382.917 2.949 20 0 GFADRO C[C@H](C(=O)NCCCC[NH+]1CCN(C)CC1)c1ccc(Br)s1 ZINC000525705400 564706340 /nfs/dbraw/zinc/70/63/40/564706340.db2.gz AXWCERDKTALFRY-ZDUSSCGKSA-N 1 0 388.375 2.758 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)c2ccc(-n3cc(Br)cn3)cc2)CC[N@@H+]1C ZINC000525766145 564708126 /nfs/dbraw/zinc/70/81/26/564708126.db2.gz UKHVWDOLDINEPY-DOMZBBRYSA-N 1 0 377.286 2.847 20 0 GFADRO O=C1[C@@H](N2CC[NH2+]C[C@@H]2c2ccccc2Cl)CCCN1CC(F)(F)F ZINC000576227772 564708368 /nfs/dbraw/zinc/70/83/68/564708368.db2.gz GKVIUTBLEHLDKS-LSDHHAIUSA-N 1 0 375.822 2.840 20 0 GFADRO C[C@H]1C[C@H]1C[NH+]1CCN(C(=O)c2ccccc2I)CC1 ZINC000488313215 564709084 /nfs/dbraw/zinc/70/90/84/564709084.db2.gz LKCJBWHJMXPOON-STQMWFEESA-N 1 0 384.261 2.705 20 0 GFADRO O=C(Nc1cc(Cl)c(Cl)cc1Cl)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000576251995 564710428 /nfs/dbraw/zinc/71/04/28/564710428.db2.gz CGIUPINBGSROLU-OAHLLOKOSA-N 1 0 376.671 2.797 20 0 GFADRO C[C@H](NC(=O)NCC[N@@H+]1CCCOCC1)c1ccc(Br)s1 ZINC000525861389 564711106 /nfs/dbraw/zinc/71/11/06/564711106.db2.gz NXEYSQLHQVIMIZ-NSHDSACASA-N 1 0 376.320 2.593 20 0 GFADRO Cc1ncc(Cl)c(C(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)n1 ZINC000525952781 564713516 /nfs/dbraw/zinc/71/35/16/564713516.db2.gz HUWITHSYSLIJAH-UHFFFAOYSA-N 1 0 376.810 2.974 20 0 GFADRO C[C@@H](NC(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)C1)c1cccc(Cl)c1Cl ZINC000576491709 564714946 /nfs/dbraw/zinc/71/49/46/564714946.db2.gz YFKRALVQAMUKSQ-OLZOCXBDSA-N 1 0 384.307 2.867 20 0 GFADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1Cc1cc2c(cc1Br)OCO2 ZINC000488685148 564717326 /nfs/dbraw/zinc/71/73/26/564717326.db2.gz DTHWMGHTTKSDGW-CYBMUJFWSA-N 1 0 397.313 2.863 20 0 GFADRO COc1ccc(Br)c(CNC(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000576806976 564719731 /nfs/dbraw/zinc/71/97/31/564719731.db2.gz HEAJGDPURUMXMO-KGLIPLIRSA-N 1 0 396.329 2.989 20 0 GFADRO C[N@H+](CCC(=O)NCc1nc2cc(Br)cnc2[nH]1)C1CCCCC1 ZINC000576799904 564719747 /nfs/dbraw/zinc/71/97/47/564719747.db2.gz OPFQOKBMBDENOL-UHFFFAOYSA-N 1 0 394.317 2.991 20 0 GFADRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)Nc2ccnc(C)c2Br)C1 ZINC000526097280 564719994 /nfs/dbraw/zinc/71/99/94/564719994.db2.gz CINYCQASRFADHU-AWEZNQCLSA-N 1 0 399.333 2.539 20 0 GFADRO CCCC[N@H+](C)CCNC(=O)[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000488842236 564721299 /nfs/dbraw/zinc/72/12/99/564721299.db2.gz WUOYDTSYSGVEDM-INIZCTEOSA-N 1 0 396.329 2.650 20 0 GFADRO Cc1nc(CNC(=O)N2CC[NH+](CC(C)C)CC2)sc1Br ZINC000458927163 564723903 /nfs/dbraw/zinc/72/39/03/564723903.db2.gz MGFJEBDDIOVRBZ-UHFFFAOYSA-N 1 0 375.336 2.697 20 0 GFADRO O=S(=O)(NCCC[NH+]1CCCCC1)c1cc(Br)c(F)cc1F ZINC000489003232 564726494 /nfs/dbraw/zinc/72/64/94/564726494.db2.gz UKASDEFCKICBBO-UHFFFAOYSA-N 1 0 397.285 2.882 20 0 GFADRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1S(=O)(=O)c1ccccc1OC(F)(F)F ZINC000553559512 564726888 /nfs/dbraw/zinc/72/68/88/564726888.db2.gz IWRNEJXFLBFXCX-QWHCGFSZSA-N 1 0 378.416 2.833 20 0 GFADRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1S(=O)(=O)c1ccccc1OC(F)(F)F ZINC000553559507 564726891 /nfs/dbraw/zinc/72/68/91/564726891.db2.gz IWRNEJXFLBFXCX-CHWSQXEVSA-N 1 0 378.416 2.833 20 0 GFADRO C[C@H](c1ccccc1Br)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000489202478 564732216 /nfs/dbraw/zinc/73/22/16/564732216.db2.gz ZZZPSYQQYIKYGR-OAHLLOKOSA-N 1 0 380.330 2.750 20 0 GFADRO C[C@@H]1CN(C(=O)NCc2nc3c(cccc3Br)[nH]2)C[C@H](C)[N@H+]1C ZINC000459137674 564732378 /nfs/dbraw/zinc/73/23/78/564732378.db2.gz LCVBLASKCNSYEP-PHIMTYICSA-N 1 0 380.290 2.559 20 0 GFADRO C[N@H+](CCCCNC(=O)N(CCO)Cc1cccc(Br)c1)C1CC1 ZINC000459149708 564732834 /nfs/dbraw/zinc/73/28/34/564732834.db2.gz HCRUIBDNWGOQDH-UHFFFAOYSA-N 1 0 398.345 2.827 20 0 GFADRO C[N@H+](CC1CC1)C[C@H]1CCN([C@H](C(N)=O)c2cccc(Br)c2)C1 ZINC000489294060 564735038 /nfs/dbraw/zinc/73/50/38/564735038.db2.gz QDMDEIRKBNEHQJ-PBHICJAKSA-N 1 0 380.330 2.639 20 0 GFADRO C[NH+](C)[C@H]1CCC[C@@H](NS(=O)(=O)Cc2ccccc2Br)C1 ZINC000553769690 564735140 /nfs/dbraw/zinc/73/51/40/564735140.db2.gz ZQJIHNHZMHUBAQ-KGLIPLIRSA-N 1 0 375.332 2.741 20 0 GFADRO C[C@@H](O)C[N@@H+]1CCN(Cc2ccc(OC(F)F)c(Br)c2)[C@H](C)C1 ZINC000577523790 564736167 /nfs/dbraw/zinc/73/61/67/564736167.db2.gz LFMOXYJDHPVYGG-VXGBXAGGSA-N 1 0 393.272 2.937 20 0 GFADRO CC[NH+](CC)[C@H]1CCN(C(=O)NCc2nc3c(cccc3Br)[nH]2)C1 ZINC000459217147 564736253 /nfs/dbraw/zinc/73/62/53/564736253.db2.gz PTRQXDCGQDXLEJ-LBPRGKRZSA-N 1 0 394.317 2.951 20 0 GFADRO Cc1nccc(NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)c1Br ZINC000527336656 564740171 /nfs/dbraw/zinc/74/01/71/564740171.db2.gz CVPJFHRRVOHAFO-HNNXBMFYSA-N 1 0 389.297 2.970 20 0 GFADRO C[C@H]1NC(=O)N(CC[NH2+]C2(c3ccc(Br)cc3)CCCC2)C1=O ZINC000459347657 564741159 /nfs/dbraw/zinc/74/11/59/564741159.db2.gz GLNAPYVOCPNQSN-GFCCVEGCSA-N 1 0 380.286 2.748 20 0 GFADRO C[C@@H](O)C[N@@H+]1CCN(Cc2nc(-c3ccc(Br)cc3)c[nH]2)[C@@H](C)C1 ZINC000578345640 564743192 /nfs/dbraw/zinc/74/31/92/564743192.db2.gz UDSKALJNFXRWNO-UONOGXRCSA-N 1 0 393.329 2.726 20 0 GFADRO CC1=CCC[C@H](C)[C@H]1C[NH2+]Cc1ccc(S(=O)(=O)N2CCOCC2)s1 ZINC000527494966 564743876 /nfs/dbraw/zinc/74/38/76/564743876.db2.gz UAGMSAKSGCSRAG-RDJZCZTQSA-N 1 0 384.567 2.851 20 0 GFADRO CC1=CCC[C@@H](C)[C@H]1C[NH2+]Cc1ccc(S(=O)(=O)N2CCOCC2)s1 ZINC000527494967 564744023 /nfs/dbraw/zinc/74/40/23/564744023.db2.gz UAGMSAKSGCSRAG-WBVHZDCISA-N 1 0 384.567 2.851 20 0 GFADRO CC(C)[C@H](C[NH2+]Cc1cn(CC(N)=O)nn1)Cc1ccc(Cl)cc1Cl ZINC000459421152 564744203 /nfs/dbraw/zinc/74/42/03/564744203.db2.gz WJRJNWCTNXXLBW-ZDUSSCGKSA-N 1 0 384.311 2.675 20 0 GFADRO CC(C)OCCC[N@H+](C)CC(=O)Nc1ccc(I)cc1 ZINC000578806592 564744286 /nfs/dbraw/zinc/74/42/86/564744286.db2.gz HXFGMBNUOKRESF-UHFFFAOYSA-N 1 0 390.265 2.977 20 0 GFADRO NC(=O)[C@H]1CC[C@H](C[NH2+]C[C@@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000579465262 564748018 /nfs/dbraw/zinc/74/80/18/564748018.db2.gz QICJGUXEUQBKBM-YRGRVCCFSA-N 1 0 375.296 2.614 20 0 GFADRO O[C@@H](C[NH2+]CCOc1ncccc1F)COc1c(Cl)cccc1Cl ZINC000579463500 564748264 /nfs/dbraw/zinc/74/82/64/564748264.db2.gz WHVHZDCTDFYFPZ-NSHDSACASA-N 1 0 375.227 2.936 20 0 GFADRO CCOC(=O)c1cc(Cl)cc(S(=O)(=O)N[C@H]2CCC[N@@H+](C(C)C)C2)c1 ZINC000489673179 564748396 /nfs/dbraw/zinc/74/83/96/564748396.db2.gz WXBGWZXBNVVKPF-HNNXBMFYSA-N 1 0 388.917 2.668 20 0 GFADRO COC(=O)c1cccc2c1CCN(CC(=O)NCc1ccc(Cl)s1)C2 ZINC000459537917 564749753 /nfs/dbraw/zinc/74/97/53/564749753.db2.gz AUYFBYAQDAEKBN-UHFFFAOYSA-N 1 0 378.881 2.863 20 0 GFADRO CC(C)([NH3+])c1nocc1C(=O)N1CCc2ccc(F)c(Br)c2C1 ZINC000527616633 564750166 /nfs/dbraw/zinc/75/01/66/564750166.db2.gz JGTHKMCKIXAMHS-UHFFFAOYSA-N 1 0 382.233 2.969 20 0 GFADRO COCc1cc(C[NH2+]C[C@@H](CO)Cc2cccc(Br)c2C)no1 ZINC000459570869 564751696 /nfs/dbraw/zinc/75/16/96/564751696.db2.gz MZOPAMIJBNRUEF-ZDUSSCGKSA-N 1 0 383.286 2.833 20 0 GFADRO Cc1nnc([C@@H]2CC[N@H+](CCC(=O)Nc3ccc(Br)cc3)C2)[nH]1 ZINC000579806967 564751838 /nfs/dbraw/zinc/75/18/38/564751838.db2.gz MVETYKBEKGXULB-GFCCVEGCSA-N 1 0 378.274 2.694 20 0 GFADRO O[C@H]1CCC[C@H]1[NH+]1CCC(NCc2ncc(Cl)cc2Br)CC1 ZINC000527674986 564754581 /nfs/dbraw/zinc/75/45/81/564754581.db2.gz NSYINSHTCBYKFV-CVEARBPZSA-N 1 0 388.737 2.965 20 0 GFADRO OC[C@H](C[NH2+]Cc1c[nH]nc1-c1ccc(Br)s1)[C@@H]1CCOC1 ZINC000527700922 564756238 /nfs/dbraw/zinc/75/62/38/564756238.db2.gz LNMBUPJWCHLZNW-PWSUYJOCSA-N 1 0 386.315 2.635 20 0 GFADRO CC(C)(C)n1cc(C[NH2+]C[C@@H](CO)Cc2cc(F)cc(Br)c2)nn1 ZINC000459686532 564756423 /nfs/dbraw/zinc/75/64/23/564756423.db2.gz BXZXHXKSOVMQDZ-ZDUSSCGKSA-N 1 0 399.308 2.876 20 0 GFADRO CC[C@@H]1Cc2c(Br)cccc2C[N@@H+]1CCC(=O)N(C)CC(=O)OC ZINC000580399840 564756566 /nfs/dbraw/zinc/75/65/66/564756566.db2.gz GFKPODSYISNHGO-CQSZACIVSA-N 1 0 397.313 2.607 20 0 GFADRO Cc1ccc(C[NH2+]CC2(N3CCOCC3)CCOCC2)c(Br)c1 ZINC000459685716 564756584 /nfs/dbraw/zinc/75/65/84/564756584.db2.gz FOSHJZKHHXHDGK-UHFFFAOYSA-N 1 0 383.330 2.729 20 0 GFADRO C[NH+]1CCN(CCCNC(=O)c2c(Br)ccc3ccccc32)CC1 ZINC000527708809 564757267 /nfs/dbraw/zinc/75/72/67/564757267.db2.gz OQOPRUOYDJASNP-UHFFFAOYSA-N 1 0 390.325 2.970 20 0 GFADRO CN(Cc1ccccc1Br)C(=O)C[N@@H+]1CC2(CCC2)[C@@H]2COC[C@H]21 ZINC000459693741 564757787 /nfs/dbraw/zinc/75/77/87/564757787.db2.gz CYWPTJOLOHWFDF-NVXWUHKLSA-N 1 0 393.325 2.908 20 0 GFADRO N[C@](C(=O)N1CCC2(CC[NH2+]C2)CC1)(c1cccc(Cl)c1)C(F)(F)F ZINC000580428361 564758276 /nfs/dbraw/zinc/75/82/76/564758276.db2.gz HGAULLDAJYYUJC-INIZCTEOSA-N 1 0 375.822 2.658 20 0 GFADRO CC[C@@H]1CC[C@@H]1[NH2+]C[C@H](O)COc1ccc(I)cc1 ZINC000554361330 564758879 /nfs/dbraw/zinc/75/88/79/564758879.db2.gz URNGTWBBJAPHAO-ZLDLUXBVSA-N 1 0 375.250 2.809 20 0 GFADRO COc1cc(Cl)c(S(=O)(=O)N(CCC[NH3+])CC2CCCC2)cc1OC ZINC000580444667 564759448 /nfs/dbraw/zinc/75/94/48/564759448.db2.gz OTFVDYTWKHIFGA-UHFFFAOYSA-N 1 0 390.933 2.887 20 0 GFADRO O[C@@H](C[NH2+]Cc1ccc(OC(F)(F)F)c(Br)c1)[C@H]1CCCO1 ZINC000527753996 564759738 /nfs/dbraw/zinc/75/97/38/564759738.db2.gz CCNLPKQGXIIFTK-WCQYABFASA-N 1 0 384.192 2.977 20 0 GFADRO COc1cc(C[NH2+][C@]2(CO)COc3ccccc3C2)cc(Br)c1O ZINC000527769170 564760856 /nfs/dbraw/zinc/76/08/56/564760856.db2.gz XGCHQMZHRHUYKC-GOSISDBHSA-N 1 0 394.265 2.619 20 0 GFADRO CC[C@H](NC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1)c1ccc(Cl)s1 ZINC000554437029 564761145 /nfs/dbraw/zinc/76/11/45/564761145.db2.gz CZVSYOVFMHUBBO-HZSPNIEDSA-N 1 0 383.945 2.912 20 0 GFADRO CN(C)C(=O)N1CCC([NH2+]Cc2cc(F)c(Br)cc2F)CC1 ZINC000527789772 564761512 /nfs/dbraw/zinc/76/15/12/564761512.db2.gz FXIHYOUKQSZFLO-UHFFFAOYSA-N 1 0 376.245 2.963 20 0 GFADRO C[C@@H](CNS(=O)(=O)c1cc(Cl)c(Br)cc1F)C[NH+](C)C ZINC000490038054 564761543 /nfs/dbraw/zinc/76/15/43/564761543.db2.gz UBCQYVVKYKNGRJ-QMMMGPOBSA-N 1 0 387.702 2.718 20 0 GFADRO O[C@@H](C[NH2+][C@@H]1CCCc2cn[nH]c21)COc1cc(F)cc(Br)c1 ZINC000580543538 564763257 /nfs/dbraw/zinc/76/32/57/564763257.db2.gz HNSHWTPNGRKKTO-DZGCQCFKSA-N 1 0 384.249 2.718 20 0 GFADRO C[C@H]([NH2+]C[C@@H](O)[C@@H]1CCCO1)c1ccc(F)c(I)c1 ZINC000527953148 564764946 /nfs/dbraw/zinc/76/49/46/564764946.db2.gz KCQHPKBOWOCXNI-FZZIBODNSA-N 1 0 379.213 2.621 20 0 GFADRO CCn1ccc(C(=O)Nc2cc(Br)ccc2N(C)CC[NH+](C)C)n1 ZINC000580566482 564765005 /nfs/dbraw/zinc/76/50/05/564765005.db2.gz VLNMJTPPTAJQDR-UHFFFAOYSA-N 1 0 394.317 2.916 20 0 GFADRO O=C(NCc1cc(F)c(Br)cc1F)N[C@H]1CCc2[nH]cnc2C1 ZINC000527954245 564765479 /nfs/dbraw/zinc/76/54/79/564765479.db2.gz SKRBLLZZBHVBJU-VIFPVBQESA-N 1 0 385.212 2.807 20 0 GFADRO O=C(Nc1ccn(-c2ccc(Br)cc2)n1)[C@H]1CCCN1C1CC1 ZINC000554577285 564766340 /nfs/dbraw/zinc/76/63/40/564766340.db2.gz FXEXAHOEOFVRBD-OAHLLOKOSA-N 1 0 375.270 3.200 20 0 GFADRO CC[NH+]1CCC(CNS(=O)(=O)c2c(F)cccc2OC(F)(F)F)CC1 ZINC000554586414 564767361 /nfs/dbraw/zinc/76/73/61/564767361.db2.gz FZDHQCVYSLNBFZ-UHFFFAOYSA-N 1 0 384.395 2.735 20 0 GFADRO C[NH+](C)CCOCCNC(=O)N[C@@H]1c2cc(Br)ccc2CC1(C)C ZINC000490242479 564767557 /nfs/dbraw/zinc/76/75/57/564767557.db2.gz JMBDGSSDTJKCQU-MRXNPFEDSA-N 1 0 398.345 2.950 20 0 GFADRO CC[C@@H]([NH2+]C[C@H]1CCCCN1S(=O)(=O)N(C)C)c1cc(F)ccc1F ZINC000554740101 564771877 /nfs/dbraw/zinc/77/18/77/564771877.db2.gz AJKMFBHULHVUCS-RHSMWYFYSA-N 1 0 375.485 2.666 20 0 GFADRO C[NH+](C)CCNC(=O)c1cc(I)c(Cl)cc1Cl ZINC000490451166 564772303 /nfs/dbraw/zinc/77/23/03/564772303.db2.gz FNJZBKOHQZYXIC-UHFFFAOYSA-N 1 0 387.048 2.889 20 0 GFADRO COC(=O)CCN1CCN(C(=O)c2c(C)ccc(Br)c2C)C[C@H]1C ZINC000580765172 564772722 /nfs/dbraw/zinc/77/27/22/564772722.db2.gz RWNXABGMUCCUAR-CYBMUJFWSA-N 1 0 397.313 2.775 20 0 GFADRO NS(=O)(=O)c1ccc(NC[C@@H]2CC[N@@H+]2C2CCCC2)cc1C(F)(F)F ZINC000528211702 564773509 /nfs/dbraw/zinc/77/35/09/564773509.db2.gz UJZXPOONHVEQKX-ZDUSSCGKSA-N 1 0 377.432 2.782 20 0 GFADRO [NH3+]CC[C@@H]1CCCCN1C(=O)[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000580775426 564773871 /nfs/dbraw/zinc/77/38/71/564773871.db2.gz VMPKDTDWNPMOKL-HOCLYGCPSA-N 1 0 394.313 2.532 20 0 GFADRO C[C@@H](C[N@H+](C)C[C@H]1CCN(S(C)(=O)=O)C1)Oc1ccc(Cl)c(Cl)c1 ZINC000554840984 564774250 /nfs/dbraw/zinc/77/42/50/564774250.db2.gz LBKLZQRNRJYTDY-QWHCGFSZSA-N 1 0 395.352 2.974 20 0 GFADRO C[C@]1(C[NH3+])CCN(S(=O)(=O)c2ccc3ccccc3c2Br)C1 ZINC000580834765 564776176 /nfs/dbraw/zinc/77/61/76/564776176.db2.gz ZAEMITVPNCSTBU-MRXNPFEDSA-N 1 0 383.311 2.962 20 0 GFADRO NC(=O)Cc1cc(Br)c(-c2ccc(NC(=O)CCC[NH3+])cc2)s1 ZINC000491075126 564786718 /nfs/dbraw/zinc/78/67/18/564786718.db2.gz ICRBXLZBGUEQLU-UHFFFAOYSA-N 1 0 396.310 2.883 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)[C@H](c2ccc(Br)cc2)N2CCCC2)CC[NH2+]1 ZINC000581071032 564787160 /nfs/dbraw/zinc/78/71/60/564787160.db2.gz JICKCEBGSUZKOJ-COXVUDFISA-N 1 0 380.330 2.843 20 0 GFADRO C[C@@H]1C[C@@H](C[N@@H+]2CCCN(S(=O)(=O)c3ccc(Cl)s3)CC2)CCO1 ZINC000491115071 564787736 /nfs/dbraw/zinc/78/77/36/564787736.db2.gz XQINACXIKPKQGQ-KGLIPLIRSA-N 1 0 392.974 2.913 20 0 GFADRO C[NH+](C)C1CCN(C(=O)Nc2ccc3nccnc3c2Br)CC1 ZINC000491227411 564788764 /nfs/dbraw/zinc/78/87/64/564788764.db2.gz CWSNQUZQQLUBET-UHFFFAOYSA-N 1 0 378.274 2.950 20 0 GFADRO COCC[N@@H+]1CCC[C@H]1CNc1ccc(Br)c(C(F)(F)F)n1 ZINC000581148257 564789321 /nfs/dbraw/zinc/78/93/21/564789321.db2.gz AGRFZUHFJDLPSW-JTQLQIEISA-N 1 0 382.224 2.808 20 0 GFADRO O=C(NCC1([NH+]2CCCCC2)CCOCC1)c1cc(O)cc(Br)c1 ZINC000528526380 564790826 /nfs/dbraw/zinc/79/08/26/564790826.db2.gz OEEZIKOTJORWAQ-UHFFFAOYSA-N 1 0 397.313 2.920 20 0 GFADRO C[C@H](NC[C@H]1CCC[N@H+](C)C1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000555369038 564791064 /nfs/dbraw/zinc/79/10/64/564791064.db2.gz XNKZCWFBPMDKEY-WDEREUQCSA-N 1 0 380.341 2.633 20 0 GFADRO CS(=O)(=O)[C@H]1CCC[C@H]([NH2+]Cc2c(Cl)cccc2N2CCOCC2)C1 ZINC000555552171 564797617 /nfs/dbraw/zinc/79/76/17/564797617.db2.gz JHJDLQWQADZXSI-GJZGRUSLSA-N 1 0 386.945 2.622 20 0 GFADRO O=S(=O)(NCC[NH2+][C@@H]1CCc2ccccc2OC1)c1cccc(Cl)c1 ZINC000492192846 564799688 /nfs/dbraw/zinc/79/96/88/564799688.db2.gz KHYIGYBAKYGISO-MRXNPFEDSA-N 1 0 380.897 2.602 20 0 GFADRO Cc1nc(NC(=O)N2CCC(CO[C@@H]3CC[NH2+]C3)CC2)ccc1Br ZINC000528691866 564800563 /nfs/dbraw/zinc/80/05/63/564800563.db2.gz WPWZEUCEDGXAHF-CQSZACIVSA-N 1 0 397.317 2.775 20 0 GFADRO C[N@H+](C[C@H](O)CN1CCC[C@@H]1C(=O)Nc1cc(Cl)cc(Cl)c1)C1CC1 ZINC000581398620 564800726 /nfs/dbraw/zinc/80/07/26/564800726.db2.gz YNLAGGDFPJZOGK-DLBZAZTESA-N 1 0 386.323 2.851 20 0 GFADRO O=S(=O)(c1cscn1)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000581426784 564801802 /nfs/dbraw/zinc/80/18/02/564801802.db2.gz JAHZXSWUQYPRMO-GOSISDBHSA-N 1 0 377.535 2.820 20 0 GFADRO C[C@H](NC(=O)C(=O)NCC[N@H+](C)C1CC1)c1cc(F)c(Cl)cc1Cl ZINC000555695746 564801971 /nfs/dbraw/zinc/80/19/71/564801971.db2.gz IJDNNQCRIXNUSR-VIFPVBQESA-N 1 0 376.259 2.520 20 0 GFADRO C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[NH2+]CC(=O)N(C)Cc1cc(Br)cs1 ZINC000528754414 564803659 /nfs/dbraw/zinc/80/36/59/564803659.db2.gz DFJKJEXXBPYAPK-KIGUWFBYSA-N 1 0 375.332 2.871 20 0 GFADRO OC[C@H]1CCC[N@H+](C[C@@H](O)COc2ccc(Cl)cc2Br)CC1 ZINC000555751965 564803940 /nfs/dbraw/zinc/80/39/40/564803940.db2.gz TYARGGWVTRZPJU-GXTWGEPZSA-N 1 0 392.721 2.937 20 0 GFADRO CCCC[C@@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl ZINC000492870880 564804831 /nfs/dbraw/zinc/80/48/31/564804831.db2.gz HSZAVECEDCOHNB-DOMZBBRYSA-N 1 0 387.933 2.874 20 0 GFADRO COC(=O)[C@@H](c1cc(Cl)cc(Cl)c1)N(C)CCC[NH+]1CCN(C)CC1 ZINC000492935636 564805771 /nfs/dbraw/zinc/80/57/71/564805771.db2.gz GZUWWICDDFVFJM-QGZVFWFLSA-N 1 0 388.339 2.777 20 0 GFADRO O=C([C@@H]1C[C@H]1c1csc(Br)c1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000528795249 564806169 /nfs/dbraw/zinc/80/61/69/564806169.db2.gz GJPSBHOSTGOLON-AEGPPILISA-N 1 0 399.354 2.795 20 0 GFADRO O[C@@H](C[NH2+]C[C@@H]1COc2ccccc2O1)COc1cccc(Br)c1 ZINC000555889515 564807812 /nfs/dbraw/zinc/80/78/12/564807812.db2.gz VIZNHNPBNDBHAQ-GOEBONIOSA-N 1 0 394.265 2.618 20 0 GFADRO O=C(NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1cc(O)cc(Br)c1 ZINC000528850643 564808383 /nfs/dbraw/zinc/80/83/83/564808383.db2.gz LTHKTOYPQGRKKV-DLBZAZTESA-N 1 0 397.313 2.652 20 0 GFADRO CCOCCOc1ccc(Br)cc1NC(=O)NCC(C)(C)[NH2+]C ZINC000493710269 564811018 /nfs/dbraw/zinc/81/10/18/564811018.db2.gz VSTXGIDEAKUYKA-UHFFFAOYSA-N 1 0 388.306 2.984 20 0 GFADRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cc(Br)cc(C(=O)OC)c1 ZINC000462075076 564815618 /nfs/dbraw/zinc/81/56/18/564815618.db2.gz QJEIXNZHFWVTIY-OAHLLOKOSA-N 1 0 383.286 2.840 20 0 GFADRO CCC[NH+]1CCC(CNC(=O)C(=O)NCc2c(Cl)cccc2Cl)CC1 ZINC000581740993 564817151 /nfs/dbraw/zinc/81/71/51/564817151.db2.gz YDCJHNNRUQTNCA-UHFFFAOYSA-N 1 0 386.323 2.848 20 0 GFADRO CS(=O)(=O)[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(I)cc2)C1 ZINC000581766536 564817839 /nfs/dbraw/zinc/81/78/39/564817839.db2.gz GDTNRUKCEMMEEE-ZIAGYGMSSA-N 1 0 393.290 2.737 20 0 GFADRO C[N@H+](CCn1nc2ccccn2c1=O)Cc1ccc(Br)c(F)c1 ZINC000494240039 564819901 /nfs/dbraw/zinc/81/99/01/564819901.db2.gz BKOYHGYFWFFFNJ-UHFFFAOYSA-N 1 0 379.233 2.530 20 0 GFADRO CC(C)c1ccc(Cl)c(S(=O)(=O)NCCCC[N@@H+]2CCC[C@@H]2CO)c1 ZINC000556363460 564820898 /nfs/dbraw/zinc/82/08/98/564820898.db2.gz HLEZEWXYVHQERB-MRXNPFEDSA-N 1 0 388.961 2.979 20 0 GFADRO O[C@@H](C[NH2+]CCc1c[nH]c2cccc(Br)c12)COC1CCOCC1 ZINC000581939698 564823417 /nfs/dbraw/zinc/82/34/17/564823417.db2.gz VMQLARKZSWJSST-AWEZNQCLSA-N 1 0 397.313 2.619 20 0 GFADRO O[C@H](C[NH2+]Cc1cccc(I)c1)COc1ccccc1 ZINC000556403550 564824531 /nfs/dbraw/zinc/82/45/31/564824531.db2.gz DQIITLQVEAFLBR-OAHLLOKOSA-N 1 0 383.229 2.821 20 0 GFADRO COC(=O)c1cc(NC(=O)NCC2=CC[N@H+](C)CC2)c(C)cc1Br ZINC000494403260 564827982 /nfs/dbraw/zinc/82/79/82/564827982.db2.gz LOJRVJFISYDONK-UHFFFAOYSA-N 1 0 396.285 2.928 20 0 GFADRO CN(CCOc1ccc(Br)cc1)C(=O)COc1ccc(C[NH3+])cc1 ZINC000582057364 564828742 /nfs/dbraw/zinc/82/87/42/564828742.db2.gz HIKUHIFIKNCYKM-UHFFFAOYSA-N 1 0 393.281 2.824 20 0 GFADRO O=C(NCc1ccc(Br)cc1)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000529306225 564829733 /nfs/dbraw/zinc/82/97/33/564829733.db2.gz KFYLJOSETNPVRF-QGZVFWFLSA-N 1 0 396.329 2.749 20 0 GFADRO Cc1cc(Br)c(S(=O)(=O)NCC[N@@H+](C)C2CCCC2)s1 ZINC000462273711 564830240 /nfs/dbraw/zinc/83/02/40/564830240.db2.gz GALYDMUIWIRGMQ-UHFFFAOYSA-N 1 0 381.361 2.972 20 0 GFADRO O=C(NC[C@@]1(O)C[NH+]2CCC1CC2)c1c(Br)ccc2ccccc21 ZINC000529366706 564831042 /nfs/dbraw/zinc/83/10/42/564831042.db2.gz LBLIYQFUTAZDLZ-LJQANCHMSA-N 1 0 389.293 2.789 20 0 GFADRO COC[C@H](CC(C)C)[NH2+]CC(=O)Nc1ccc(I)cc1 ZINC000556608585 564831840 /nfs/dbraw/zinc/83/18/40/564831840.db2.gz JCMJIRSGFJEQRJ-AWEZNQCLSA-N 1 0 390.265 2.880 20 0 GFADRO Cc1cc(N2CC[C@@H]([NH2+][C@@H](C)Cn3cccn3)C2=O)ccc1Br ZINC000462318523 564833447 /nfs/dbraw/zinc/83/34/47/564833447.db2.gz SIHMNUVJOGTRHN-XJKSGUPXSA-N 1 0 377.286 2.738 20 0 GFADRO COc1cc(Br)ccc1CCCNC(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000582179935 564834255 /nfs/dbraw/zinc/83/42/55/564834255.db2.gz KDLZVUNHCFEGTC-HNNXBMFYSA-N 1 0 381.314 2.896 20 0 GFADRO C[N@@H+]1CCC[C@H]1[C@H]1COCCN1C(=O)c1ccc(Br)c(F)c1F ZINC000529422745 564834801 /nfs/dbraw/zinc/83/48/01/564834801.db2.gz GKVDTRWIUKAOOU-QWHCGFSZSA-N 1 0 389.240 2.663 20 0 GFADRO O=C([C@@H]1C[C@H]1c1csc(Br)c1)N1CCC[C@H](N2CCOCC2)C1 ZINC000529438401 564835753 /nfs/dbraw/zinc/83/57/53/564835753.db2.gz GKBIDDDADRSSDO-SOUVJXGZSA-N 1 0 399.354 2.937 20 0 GFADRO Cc1cccc(CC(=O)N2CCC[C@@H](N3CCOCC3)C2)c1Br ZINC000529439138 564835797 /nfs/dbraw/zinc/83/57/97/564835797.db2.gz KUNLVHPNFMXACZ-MRXNPFEDSA-N 1 0 381.314 2.623 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000582300549 564839495 /nfs/dbraw/zinc/83/94/95/564839495.db2.gz OTZLENGUNINVLR-CQSZACIVSA-N 1 0 399.239 2.670 20 0 GFADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)NC[C@@H](C)[N@@H+]2CCCC[C@H]2C)c1 ZINC000462441747 564839529 /nfs/dbraw/zinc/83/95/29/564839529.db2.gz PQLJXOGRPPCXEV-CHWSQXEVSA-N 1 0 388.917 2.668 20 0 GFADRO CC[N@H+](CCNC(=O)Nc1ccc([S@@](C)=O)c(F)c1)CCC(F)(F)F ZINC000494778150 564839770 /nfs/dbraw/zinc/83/97/70/564839770.db2.gz OSGFGHBAVWFXTP-RUZDIDTESA-N 1 0 383.411 2.959 20 0 GFADRO CN(CC(=O)Nc1ccccc1Br)C(=O)C[C@@H]1CCCC[C@H]1[NH3+] ZINC000582298883 564840110 /nfs/dbraw/zinc/84/01/10/564840110.db2.gz IIRURGKOZLLUKG-GXTWGEPZSA-N 1 0 382.302 2.754 20 0 GFADRO [NH3+]CC[C@H]1CCCN(S(=O)(=O)Cc2cc(Cl)ccc2Br)C1 ZINC000582300902 564840275 /nfs/dbraw/zinc/84/02/75/564840275.db2.gz JIOGTCOKBCOKOJ-LLVKDONJSA-N 1 0 395.750 2.993 20 0 GFADRO CCC[C@@]1(CO)CC[N@H+](C[C@@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000582352546 564842444 /nfs/dbraw/zinc/84/24/44/564842444.db2.gz LQORGTJIUSSXDH-NVXWUHKLSA-N 1 0 390.293 2.812 20 0 GFADRO Cc1cc(NC(=O)N2CCC[N@@H+]([C@@H](C)CO)CC2)cc(C)c1Br ZINC000494877819 564842560 /nfs/dbraw/zinc/84/25/60/564842560.db2.gz LJDZGKLLCMRAQO-AWEZNQCLSA-N 1 0 384.318 2.986 20 0 GFADRO COc1ccc(Br)c(CC(=O)NC[C@]2([NH+](C)C)CCSC2)c1 ZINC000494891466 564842941 /nfs/dbraw/zinc/84/29/41/564842941.db2.gz JDVQWCAUTNJZGE-MRXNPFEDSA-N 1 0 387.343 2.554 20 0 GFADRO COC(=O)c1cc(Br)cc(C(=O)NCC[N@H+]2CC=C(C)CC2)c1 ZINC000462487234 564843326 /nfs/dbraw/zinc/84/33/26/564843326.db2.gz DIXNFRPBWPPZPJ-UHFFFAOYSA-N 1 0 381.270 2.618 20 0 GFADRO CC1(C)Cc2c(cccc2Br)[C@@H]1NC(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000582410421 564845263 /nfs/dbraw/zinc/84/52/63/564845263.db2.gz FDOYDFQFTTVYEE-LRDDRELGSA-N 1 0 396.329 2.750 20 0 GFADRO O[C@@H](COc1ccc(Br)cc1)C[N@@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000495015113 564845797 /nfs/dbraw/zinc/84/57/97/564845797.db2.gz DZHFNVZUBOFSLP-UKRRQHHQSA-N 1 0 380.286 2.792 20 0 GFADRO C[C@@H]1C[C@@H]([NH2+]CCCNS(=O)(=O)c2ccccc2Br)[C@@H]1C ZINC000495005056 564845914 /nfs/dbraw/zinc/84/59/14/564845914.db2.gz ILXKYPMYRMGDGN-YRGRVCCFSA-N 1 0 375.332 2.752 20 0 GFADRO CC[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C(C)(C)C)C[C@H]2C(F)(F)F)C[C@@H](C)[S@]1=O ZINC000556937039 564847907 /nfs/dbraw/zinc/84/79/07/564847907.db2.gz VVBWWCDCHQYIPA-KXYISMDBSA-N 1 0 382.492 2.653 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)N1CCOc2ccc(Br)cc2C1 ZINC000556970984 564849003 /nfs/dbraw/zinc/84/90/03/564849003.db2.gz WRDQOSUQMCHRHX-CVEARBPZSA-N 1 0 394.313 2.980 20 0 GFADRO OCC[C@H]([NH2+]Cc1cccc(I)c1)C1CCOCC1 ZINC000582501692 564849049 /nfs/dbraw/zinc/84/90/49/564849049.db2.gz PFFHFJQTKLZZKL-HNNXBMFYSA-N 1 0 375.250 2.558 20 0 GFADRO O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccc(COc2ccccc2Br)cc1 ZINC000495148840 564849826 /nfs/dbraw/zinc/84/98/26/564849826.db2.gz VLXGHVIHSORSOQ-HWWDLCQESA-N 1 0 387.277 2.976 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)N[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000495196071 564850672 /nfs/dbraw/zinc/85/06/72/564850672.db2.gz XBFIRDCYRKYXPQ-CABCVRRESA-N 1 0 393.329 2.564 20 0 GFADRO O=C(NCc1cc(Br)cc2c1OCC2)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000582535695 564851436 /nfs/dbraw/zinc/85/14/36/564851436.db2.gz DIAFWTBBYLRECZ-SFHVURJKSA-N 1 0 394.313 2.669 20 0 GFADRO Cc1c(Br)ccnc1NC(=O)NC[C@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000582535614 564851439 /nfs/dbraw/zinc/85/14/39/564851439.db2.gz VIDOIXSWAUSWCE-OAHLLOKOSA-N 1 0 398.349 2.546 20 0 GFADRO Cc1nn(C)c(C[NH2+]C[C@H](c2nnc[nH]2)c2ccccc2)c1Br ZINC000582586814 564853028 /nfs/dbraw/zinc/85/30/28/564853028.db2.gz WOGFVAGBWXIPQY-ZDUSSCGKSA-N 1 0 375.274 2.531 20 0 GFADRO C[N@H+](Cc1cc2c(cc1Br)OCCO2)C1(CCO)CCOCC1 ZINC000495444098 564855010 /nfs/dbraw/zinc/85/50/10/564855010.db2.gz HHWRCZBBQCTWGQ-UHFFFAOYSA-N 1 0 386.286 2.584 20 0 GFADRO CCC[C@@](C)([NH3+])C(=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000495485673 564855017 /nfs/dbraw/zinc/85/50/17/564855017.db2.gz XFOWSYNHWOYNTL-OAHLLOKOSA-N 1 0 378.826 2.920 20 0 GFADRO CCN(Cc1ccc(Cl)s1)C(=O)C(=O)NC[C@H](C)[NH+]1CCC(C)CC1 ZINC000557120447 564855157 /nfs/dbraw/zinc/85/51/57/564855157.db2.gz FJBVOMJOYOFDKK-AWEZNQCLSA-N 1 0 385.961 2.987 20 0 GFADRO CS[C@@H]1CN(C(=O)CSc2ncnc3sc(C)c(C)c32)C[C@@H]1[NH+](C)C ZINC000495606740 564855733 /nfs/dbraw/zinc/85/57/33/564855733.db2.gz KABAXROBMPBCNX-QWHCGFSZSA-N 1 0 396.607 2.904 20 0 GFADRO O=C(N[C@H]1CSc2ccc(Br)cc21)N[C@H]1C[NH2+]CCC1(F)F ZINC000557199712 564857506 /nfs/dbraw/zinc/85/75/06/564857506.db2.gz DXCWJQZWEJYORY-JQWIXIFHSA-N 1 0 392.269 2.892 20 0 GFADRO O=C(CCNC(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1)Nc1cc(Cl)cc(Cl)c1 ZINC000557231461 564858460 /nfs/dbraw/zinc/85/84/60/564858460.db2.gz JKCBUKJLGCTQDS-NWDGAFQWSA-N 1 0 385.295 2.573 20 0 GFADRO CCOCC[C@H](O)C[NH2+][C@H]1CCCN(c2ccc(Br)c(C)c2)C1=O ZINC000582721357 564859161 /nfs/dbraw/zinc/85/91/61/564859161.db2.gz DDDPQGBIOSMNIO-RDJZCZTQSA-N 1 0 399.329 2.630 20 0 GFADRO C[NH+](C)C[C@H](NC(=O)[C@@H]1OC[C@H]2COCC[C@@H]21)c1ccc(Cl)c(Cl)c1 ZINC000530033906 564860689 /nfs/dbraw/zinc/86/06/89/564860689.db2.gz RVIRNEJSVAWCBY-OSRSDYAFSA-N 1 0 387.307 2.764 20 0 GFADRO O=C(N[C@@H]1C[C@H]1C1CC[NH2+]CC1)c1cc(=O)[nH]c2ccc(Br)cc21 ZINC000462882443 564861654 /nfs/dbraw/zinc/86/16/54/564861654.db2.gz DZCJYPDGSYGJKE-BLLLJJGKSA-N 1 0 390.281 2.821 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1 ZINC000497079802 564862793 /nfs/dbraw/zinc/86/27/93/564862793.db2.gz LJSVXQWTLAKTCX-DOMZBBRYSA-N 1 0 384.307 2.947 20 0 GFADRO CC[C@@H](Cn1cncn1)[NH2+][C@H](C)c1ccc(Br)cc1OCCCO ZINC000462961467 564864370 /nfs/dbraw/zinc/86/43/70/564864370.db2.gz FRMGZSBGOUICLE-HIFRSBDPSA-N 1 0 397.317 2.931 20 0 GFADRO Cc1ccc(-c2nc(NC(=O)C(=O)NC[C@H](C)C[NH+](C)C)sc2C)s1 ZINC000582908903 564867518 /nfs/dbraw/zinc/86/75/18/564867518.db2.gz KPUCXRLRQPBQBG-JTQLQIEISA-N 1 0 380.539 2.741 20 0 GFADRO C[C@@H](c1ncc(Br)cn1)N1C[C@H](C(N)=O)[C@@H](c2ccccc2)C1 ZINC000583010824 564872037 /nfs/dbraw/zinc/87/20/37/564872037.db2.gz CNMFENXXLHTLCG-GLQYFDAESA-N 1 0 375.270 2.501 20 0 GFADRO COc1cc(Br)c(Cl)cc1C(=O)NCCN1CCO[C@@H](C)C1 ZINC000583026604 564872545 /nfs/dbraw/zinc/87/25/45/564872545.db2.gz IGRLANCOSOCQNO-JTQLQIEISA-N 1 0 391.693 2.562 20 0 GFADRO CN1C(=O)c2ccccc2[C@@H]1C[NH2+]C[C@@H](O)c1ccccc1Br ZINC000530240923 564872782 /nfs/dbraw/zinc/87/27/82/564872782.db2.gz BYKAIQWZYZKZFF-DLBZAZTESA-N 1 0 375.266 2.899 20 0 GFADRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)NCc1cc(Br)cc2c1OCC2 ZINC000463265334 564874428 /nfs/dbraw/zinc/87/44/28/564874428.db2.gz WVQLUCXMJUBMKW-BLLLJJGKSA-N 1 0 396.329 2.866 20 0 GFADRO C[C@H]([NH2+]CC(=O)N(C)CC1CC1)c1ccc(Br)cc1OCCCO ZINC000463368416 564877453 /nfs/dbraw/zinc/87/74/53/564877453.db2.gz NALSWGDBQJRYRN-ZDUSSCGKSA-N 1 0 399.329 2.729 20 0 GFADRO [NH3+]CC[C@H](NC(=O)c1ccc(-n2cc(Br)cn2)cc1)C(F)(F)F ZINC000583184553 564879513 /nfs/dbraw/zinc/87/95/13/564879513.db2.gz ADSKWRCHVFTTES-LBPRGKRZSA-N 1 0 391.191 2.644 20 0 GFADRO O=C1[C@@H]([N@@H+]2CC[C@H](n3cccn3)C2)CCN1c1cccc(Br)c1 ZINC000463435633 564881113 /nfs/dbraw/zinc/88/11/13/564881113.db2.gz USGHEQVDLZMROT-HOTGVXAUSA-N 1 0 375.270 2.698 20 0 GFADRO C[C@@H]1CC[N@H+](CC(=O)NCc2cnn(-c3ccc(Br)cc3)c2)C1 ZINC000583272097 564884521 /nfs/dbraw/zinc/88/45/21/564884521.db2.gz ABGGUPAXZUHARK-CYBMUJFWSA-N 1 0 377.286 2.593 20 0 GFADRO Cc1cc(NC(=O)c2c[nH]c(=O)c(Br)c2)n(C2CC[NH+](C)CC2)n1 ZINC000530713293 564892356 /nfs/dbraw/zinc/89/23/56/564892356.db2.gz FDSOGAPOYBVWAJ-UHFFFAOYSA-N 1 0 394.273 2.574 20 0 GFADRO O=C(Nc1ccsc1Cl)C(=O)Nc1cccc(C[N@H+]2CC[C@@H](O)C2)c1 ZINC000463966384 564893468 /nfs/dbraw/zinc/89/34/68/564893468.db2.gz SXPRLODKQBFMET-CYBMUJFWSA-N 1 0 379.869 2.545 20 0 GFADRO CC[N@H+]1C[C@@H](C)N(C(=O)CSc2nnc(-c3cccs3)n2C)[C@@H](C)C1 ZINC000558194449 564895294 /nfs/dbraw/zinc/89/52/94/564895294.db2.gz WCEORPARXCSMGK-BETUJISGSA-N 1 0 379.555 2.577 20 0 GFADRO C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@@H]2COc3c2ccc(Cl)c3Cl)[C@@H](C)C1 ZINC000498415483 564897593 /nfs/dbraw/zinc/89/75/93/564897593.db2.gz QXNSTLHWOCQLJB-COPLHBTASA-N 1 0 388.295 2.523 20 0 GFADRO O[C@@H](C[NH2+]CCOCC(F)F)COc1ccc(Cl)cc1Br ZINC000583626840 564900383 /nfs/dbraw/zinc/90/03/83/564900383.db2.gz NNKXUSBRHBVINX-JTQLQIEISA-N 1 0 388.636 2.714 20 0 GFADRO CCC(=O)N[C@@H](CCSC)C(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000531066959 564900608 /nfs/dbraw/zinc/90/06/08/564900608.db2.gz QBLZGJWRAYRRRF-JKSUJKDBSA-N 1 0 385.961 2.707 20 0 GFADRO O=C(Nc1nnc(CC(F)(F)F)s1)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000583679953 564902271 /nfs/dbraw/zinc/90/22/71/564902271.db2.gz OEXXQLLXGUIGIZ-SNVBAGLBSA-N 1 0 380.461 2.799 20 0 GFADRO COC(=O)c1cc(NC(=O)N2CCC[C@@H](C[NH3+])C2)cc(Br)c1F ZINC000583741099 564905002 /nfs/dbraw/zinc/90/50/02/564905002.db2.gz YGVQVEFTBVGYIS-VIFPVBQESA-N 1 0 388.237 2.577 20 0 GFADRO CC(C)C[NH+]1CCN(Cc2cn(-c3ccccc3Br)nn2)CC1 ZINC000558569979 564906799 /nfs/dbraw/zinc/90/67/99/564906799.db2.gz ZIYYHOMTGRQJGS-UHFFFAOYSA-N 1 0 378.318 2.803 20 0 GFADRO CC(C)[N@@H+](C)C[C@H](C)NC(=O)[C@H]1CC(=O)Nc2ccc(Br)cc21 ZINC000558581928 564907181 /nfs/dbraw/zinc/90/71/81/564907181.db2.gz KLEDXEPZTJSPLV-FZMZJTMJSA-N 1 0 382.302 2.720 20 0 GFADRO CC[C@H]([NH2+]CCNC(=O)c1cccc(Br)c1)C1(C(=O)OC)CCC1 ZINC000498767014 564908100 /nfs/dbraw/zinc/90/81/00/564908100.db2.gz HFXPJQPOSSDJPB-HNNXBMFYSA-N 1 0 397.313 2.890 20 0 GFADRO CC(C)[NH2+]CCCNC(=O)NC(C)(C)COc1ncccc1Br ZINC000583921656 564912846 /nfs/dbraw/zinc/91/28/46/564912846.db2.gz XPRFJNVSUNGTLR-UHFFFAOYSA-N 1 0 387.322 2.689 20 0 GFADRO CC1=CC[N@H+](CCNC(=O)C(=O)N(C)Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000498938364 564913505 /nfs/dbraw/zinc/91/35/05/564913505.db2.gz CZZGSFPFIVJEBK-UHFFFAOYSA-N 1 0 384.307 2.720 20 0 GFADRO C[C@H]1C[C@@H](NC(=O)NCc2n[nH]cc2Br)C[N@@H+]1Cc1ccccc1 ZINC000531550189 564913714 /nfs/dbraw/zinc/91/37/14/564913714.db2.gz VTFFDBBTKPYPID-GXTWGEPZSA-N 1 0 392.301 2.634 20 0 GFADRO O=S(=O)(c1cccc(OC(F)(F)F)c1)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000584044041 564918180 /nfs/dbraw/zinc/91/81/80/564918180.db2.gz MSIMAAUSLSJTEA-SWLSCSKDSA-N 1 0 378.416 2.738 20 0 GFADRO CC[N@@H+]1C[C@H](C)N(C(=O)Cc2cc3c(cc2Br)OCCO3)C[C@@H]1C ZINC000499109859 564918335 /nfs/dbraw/zinc/91/83/35/564918335.db2.gz IXLAJJHUPAWNAW-STQMWFEESA-N 1 0 397.313 2.704 20 0 GFADRO CC[NH+](CC)[C@H]1CCN(CCS(=O)(=O)c2ccc(Br)cc2)C1 ZINC000464781449 564918342 /nfs/dbraw/zinc/91/83/42/564918342.db2.gz VGTBHYIOOACEBE-HNNXBMFYSA-N 1 0 389.359 2.639 20 0 GFADRO C[NH+](C)C[C@H]1CCCN1C(=O)c1cc(=O)[nH]c2ccc(Br)cc21 ZINC000464931730 564921276 /nfs/dbraw/zinc/92/12/76/564921276.db2.gz IDCFSIMOFYVGCJ-GFCCVEGCSA-N 1 0 378.270 2.869 20 0 GFADRO COc1cc(C[NH2+]Cc2ccc3c(c2)CCS3(=O)=O)cc(Cl)c1OC ZINC000531811177 564921254 /nfs/dbraw/zinc/92/12/54/564921254.db2.gz NLDJUAUDOFXRCS-UHFFFAOYSA-N 1 0 381.881 2.977 20 0 GFADRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Cn1cc(Br)cn1 ZINC000464979572 564921418 /nfs/dbraw/zinc/92/14/18/564921418.db2.gz IXOWDPUSGSDORV-MRXNPFEDSA-N 1 0 391.313 2.626 20 0 GFADRO C[NH+](C)CCCCC(=O)N1CCN(C(=O)c2cc3sccc3s2)CC1 ZINC000584147592 564922568 /nfs/dbraw/zinc/92/25/68/564922568.db2.gz SYDNVPVQQLOAHJ-UHFFFAOYSA-N 1 0 379.551 2.979 20 0 GFADRO C[C@@H]1CC[N@H+](CCNC(=O)c2cc(F)c(F)cc2I)C1 ZINC000531864612 564922763 /nfs/dbraw/zinc/92/27/63/564922763.db2.gz RBSQGHRTQVCBJX-SECBINFHSA-N 1 0 394.203 2.641 20 0 GFADRO CCS(=O)(=O)N(C)CCC[NH2+][C@@H](C)c1ccc(OCC(F)(F)F)cc1 ZINC000531937344 564925307 /nfs/dbraw/zinc/92/53/07/564925307.db2.gz XLWTZHZGPDZJCE-ZDUSSCGKSA-N 1 0 382.448 2.950 20 0 GFADRO Cc1onc(-c2cccc(Cl)c2Cl)c1C(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000584301289 564929876 /nfs/dbraw/zinc/92/98/76/564929876.db2.gz PTQQOVXXAYAMTI-STQMWFEESA-N 1 0 384.263 2.704 20 0 GFADRO CC1(C)CN(CCNC(=O)N[C@@H]2COc3c2ccc(Cl)c3Cl)CCO1 ZINC000465798979 564932050 /nfs/dbraw/zinc/93/20/50/564932050.db2.gz HKNSWHBXUDWIOZ-CYBMUJFWSA-N 1 0 388.295 2.837 20 0 GFADRO CC[N@@H+]1CCC[C@H](CNC(=O)c2cc(Br)c(OC)c(OC)c2)C1 ZINC000559552135 564935055 /nfs/dbraw/zinc/93/50/55/564935055.db2.gz QAWYBQQMYIFZOY-GFCCVEGCSA-N 1 0 385.302 2.928 20 0 GFADRO COc1ccc(Br)c(CNC(=O)N[C@H]2C[N@@H+](C3CC3)C[C@@H]2C)c1 ZINC000466199370 564936130 /nfs/dbraw/zinc/93/61/30/564936130.db2.gz IEGFBWQNZGIGCQ-ZBEGNZNMSA-N 1 0 382.302 2.740 20 0 GFADRO C[N@@H+]1CCC[C@H](CNC(=O)C(=O)NCc2ccsc2)[C@H]1c1cccs1 ZINC000559730317 564938824 /nfs/dbraw/zinc/93/88/24/564938824.db2.gz NNGFAIYEANFJBZ-ZBFHGGJFSA-N 1 0 377.535 2.625 20 0 GFADRO C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)N[C@@H](C)c1ccc(Br)cc1 ZINC000559775128 564939680 /nfs/dbraw/zinc/93/96/80/564939680.db2.gz AHVDHUQXLFQEKY-KGLIPLIRSA-N 1 0 396.329 2.617 20 0 GFADRO CC[C@@H]1CN(C(=O)C(=O)NC[C@@H](c2ccsc2)[NH+](CC)CC)CCS1 ZINC000559748095 564939810 /nfs/dbraw/zinc/93/98/10/564939810.db2.gz BVCNCJDZTGUAKU-CVEARBPZSA-N 1 0 383.583 2.601 20 0 GFADRO CC[NH+](CC)[C@@H](CNC(=O)C(=O)N1CCC[C@H]1CSC)c1ccsc1 ZINC000559741671 564940027 /nfs/dbraw/zinc/94/00/27/564940027.db2.gz NVIRTHCOUHXFHP-HOTGVXAUSA-N 1 0 383.583 2.601 20 0 GFADRO NC(=O)[C@H](C[NH2+]Cc1cncc(Br)c1)Cc1ccccc1Cl ZINC000466469817 564941307 /nfs/dbraw/zinc/94/13/07/564941307.db2.gz XCMQTXCUFFNHTA-ZDUSSCGKSA-N 1 0 382.689 2.931 20 0 GFADRO COc1ccc(Br)cc1CNC(=O)NCC[N@@H+]1CCC[C@H](C)C1 ZINC000532860667 564948460 /nfs/dbraw/zinc/94/84/60/564948460.db2.gz HJYRFZGSMNIQGY-ZDUSSCGKSA-N 1 0 384.318 2.989 20 0 GFADRO CC[N@@H+]1CCCN(C(=O)C(=O)Nc2cc(Cl)ccc2C(F)(F)F)CC1 ZINC000500241319 564949254 /nfs/dbraw/zinc/94/92/54/564949254.db2.gz RHXLKJWNTBNTFV-UHFFFAOYSA-N 1 0 377.794 2.852 20 0 GFADRO COc1cc(C[NH2+][C@H]2CCO[C@@H](c3nccn3C)C2)cc(Br)c1O ZINC000560126265 564950573 /nfs/dbraw/zinc/95/05/73/564950573.db2.gz VOVCCPWHPGONBI-SWLSCSKDSA-N 1 0 396.285 2.907 20 0 GFADRO O=C(CC[N@@H+]1CCC[C@@H](N2CCNC2=O)C1)Nc1c(Cl)cccc1Cl ZINC000533033620 564952178 /nfs/dbraw/zinc/95/21/78/564952178.db2.gz BSCSNYOTCPMAKW-GFCCVEGCSA-N 1 0 385.295 2.812 20 0 GFADRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1csc(I)c1 ZINC000467031537 564953188 /nfs/dbraw/zinc/95/31/88/564953188.db2.gz FDRJWGOEIMPTFM-KCJUWKMLSA-N 1 0 376.263 2.565 20 0 GFADRO COc1ccc([C@@H](C[NH+](C)C)NC(=O)c2ccc(Br)cn2)cc1 ZINC000560248861 564954497 /nfs/dbraw/zinc/95/44/97/564954497.db2.gz ILCLEYUQAGQNQN-MRXNPFEDSA-N 1 0 378.270 2.885 20 0 GFADRO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)c1cccc(F)c1I ZINC000533085844 564954675 /nfs/dbraw/zinc/95/46/75/564954675.db2.gz URGSKHYQGUCSMZ-SNVBAGLBSA-N 1 0 388.224 2.644 20 0 GFADRO CCOc1cc(C[NH2+][C@H]2CCC[C@@H]2CNS(C)(=O)=O)cc(Cl)c1OC ZINC000500487587 564955039 /nfs/dbraw/zinc/95/50/39/564955039.db2.gz MUVLNLJJOAJNJY-HIFRSBDPSA-N 1 0 390.933 2.555 20 0 GFADRO C[N@H+](CC[C@H]1CCCO1)CC(=O)Nc1ccc(I)cc1 ZINC000467135418 564956732 /nfs/dbraw/zinc/95/67/32/564956732.db2.gz ATOOGORJABWFAU-CQSZACIVSA-N 1 0 388.249 2.731 20 0 GFADRO CC(C)[N@@H+]1CC[C@H](CNC(=O)CCCS(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000560456327 564963075 /nfs/dbraw/zinc/96/30/75/564963075.db2.gz MFWGIQDNDZRBJC-OAHLLOKOSA-N 1 0 386.945 2.740 20 0 GFADRO CC[N@@H+]1CC[C@@H](Nc2cnc(N3CCOCC3)c(Br)c2)[C@@H](C)C1 ZINC000467435348 564963384 /nfs/dbraw/zinc/96/33/84/564963384.db2.gz RZPNXSJEXDFYCT-XJKSGUPXSA-N 1 0 383.334 2.823 20 0 GFADRO CC[N@H+](CCNC(=O)c1cccc(F)c1I)C1CC1 ZINC000533541548 564964742 /nfs/dbraw/zinc/96/47/42/564964742.db2.gz BTUBXXXBBARGNQ-UHFFFAOYSA-N 1 0 376.213 2.644 20 0 GFADRO CCOc1c(Cl)cc(NC(=O)C(=O)NCCC[NH+]2CCCC2)cc1Cl ZINC000467498505 564964859 /nfs/dbraw/zinc/96/48/59/564964859.db2.gz IEDNWYRTPMRMJP-UHFFFAOYSA-N 1 0 388.295 2.933 20 0 GFADRO O=C(Cc1csc(-c2cccc(Br)c2)n1)NCC[NH+]1CCC1 ZINC000501009992 564967823 /nfs/dbraw/zinc/96/78/23/564967823.db2.gz HFJQPMWSFZACKY-UHFFFAOYSA-N 1 0 380.311 2.937 20 0 GFADRO CC(C)(COc1ncccc1Br)[NH2+]CCC(=O)N1CCCCC1 ZINC000501076828 564969226 /nfs/dbraw/zinc/96/92/26/564969226.db2.gz GYTIGKVCUNPFSD-UHFFFAOYSA-N 1 0 384.318 2.994 20 0 GFADRO Cc1cc(Br)ccc1C(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000501155257 564972312 /nfs/dbraw/zinc/97/23/12/564972312.db2.gz URVZMQKSJHLCPJ-QGZVFWFLSA-N 1 0 394.357 3.000 20 0 GFADRO COc1ccc(Br)c2[nH]c(C(=O)NCCNc3cc[nH+]cc3)cc21 ZINC000533811565 564973629 /nfs/dbraw/zinc/97/36/29/564973629.db2.gz ZRAVVAFKQMIDBE-UHFFFAOYSA-N 1 0 389.253 2.598 20 0 GFADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(Br)cc2cccnc21 ZINC000533894787 564974791 /nfs/dbraw/zinc/97/47/91/564974791.db2.gz FGGZLCHAYJBPKX-HNNXBMFYSA-N 1 0 392.297 2.838 20 0 GFADRO CCCC[NH+]1CCC(NC(=O)c2ccc(Cl)c(NS(C)(=O)=O)c2)CC1 ZINC000501390289 564977933 /nfs/dbraw/zinc/97/79/33/564977933.db2.gz FGUOUWBSZLZEEU-UHFFFAOYSA-N 1 0 387.933 2.706 20 0 GFADRO CS(=O)(=O)N1CCC[C@@H]([NH2+][C@H]2CCc3c2cc(Br)cc3F)C1 ZINC000560897584 564979341 /nfs/dbraw/zinc/97/93/41/564979341.db2.gz HHRQYGVCRDUQLM-ABAIWWIYSA-N 1 0 391.306 2.589 20 0 GFADRO CC(C)[N@H+](C[C@@H](C)O)C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000561054920 564982423 /nfs/dbraw/zinc/98/24/23/564982423.db2.gz LOWMLCMFDYSQIG-DGCLKSJQSA-N 1 0 380.710 2.933 20 0 GFADRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1nc(-c2cccc(Br)c2)c[nH]1 ZINC000534286432 564984409 /nfs/dbraw/zinc/98/44/09/564984409.db2.gz DGQWLBRLQMRHGC-KGLIPLIRSA-N 1 0 377.286 2.844 20 0 GFADRO [NH3+]C[C@H]1CCCN(C(=O)NCCNc2ncc(C(F)(F)F)cc2Cl)C1 ZINC000561145296 564985693 /nfs/dbraw/zinc/98/56/93/564985693.db2.gz LUVXNTPZOCRYLR-SNVBAGLBSA-N 1 0 379.814 2.546 20 0 GFADRO O=C(N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)N(CCO)Cc1ccc(Cl)c(Cl)c1 ZINC000561223178 564988365 /nfs/dbraw/zinc/98/83/65/564988365.db2.gz FDWQEUZOGAVGGH-SOUVJXGZSA-N 1 0 386.323 2.885 20 0 GFADRO Cc1ncc(NC(=O)C(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)s1 ZINC000501945292 564988390 /nfs/dbraw/zinc/98/83/90/564988390.db2.gz FKTZGHDHMVMGPB-SWLSCSKDSA-N 1 0 378.523 2.651 20 0 GFADRO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCc1nc(-c2cccc(Br)c2)no1 ZINC000468629817 564988793 /nfs/dbraw/zinc/98/87/93/564988793.db2.gz NAOXACFULZTBCC-TXEJJXNPSA-N 1 0 393.285 2.988 20 0 GFADRO C[C@@H](C[NH+]1CCOCC1)C(=O)NCC1(c2cccc(Br)c2)CCC1 ZINC000502061796 564991147 /nfs/dbraw/zinc/99/11/47/564991147.db2.gz OCKMTZMNULFMTH-HNNXBMFYSA-N 1 0 395.341 2.955 20 0 GFADRO O=S(=O)(NCCC[NH2+][C@@H]1CCCC12CCOCC2)c1ccccc1Cl ZINC000502348122 564996396 /nfs/dbraw/zinc/99/63/96/564996396.db2.gz YHXKSZQCUIETOA-QGZVFWFLSA-N 1 0 386.945 2.947 20 0 GFADRO CO[C@H](CC[NH2+][C@H](C)c1cccc(N2CCCS2(=O)=O)c1)C(F)(F)F ZINC000468873894 564996700 /nfs/dbraw/zinc/99/67/00/564996700.db2.gz FIDXOMFUPNAONR-IUODEOHRSA-N 1 0 380.432 2.845 20 0 GFADRO CC[C@@H]1C[N@H+](CCCOc2cccc(I)c2)C[C@@H]1O ZINC000534863382 564997889 /nfs/dbraw/zinc/99/78/89/564997889.db2.gz BDFNJCGHJNGAEI-DOMZBBRYSA-N 1 0 375.250 2.763 20 0 GFADRO COc1c(Br)c(C)sc1C(=O)N1C[C@H](SC)[C@@H]([NH+](C)C)C1 ZINC000534828577 564998365 /nfs/dbraw/zinc/99/83/65/564998365.db2.gz JGWQTMUCYIOLIA-UWVGGRQHSA-N 1 0 393.372 2.945 20 0 GFADRO NC(=O)CCC1CC[NH+](C[C@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000502529516 565001297 /nfs/dbraw/zinc/00/12/97/565001297.db2.gz HMPDUFSHBMOJOX-AWEZNQCLSA-N 1 0 375.296 2.711 20 0 GFADRO CN(C(=O)C1(c2ccc(I)cc2)CC1)[C@@H]1CCC[N@H+](C)C1 ZINC000502992934 565010308 /nfs/dbraw/zinc/01/03/08/565010308.db2.gz RBLDOJYPKHOANF-OAHLLOKOSA-N 1 0 398.288 2.875 20 0 GFADRO C[C@@H](C[NH+](C)C)NC(=O)N[C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O ZINC000503134527 565012250 /nfs/dbraw/zinc/01/22/50/565012250.db2.gz DMWBEHOJHGEITL-SMDDNHRTSA-N 1 0 387.311 2.738 20 0 GFADRO C[C@H]1CC[C@H](C)[NH+]1CC(=O)N(CCO)Cc1cc(Br)ccc1F ZINC000535413276 565012980 /nfs/dbraw/zinc/01/29/80/565012980.db2.gz CJQCDGQVEVZOLF-STQMWFEESA-N 1 0 387.293 2.782 20 0 GFADRO CSc1ccc(Cl)c(C(=O)N[C@@H](CC(C)C)C(=O)NCC[NH+](C)C)c1 ZINC000535501879 565014448 /nfs/dbraw/zinc/01/44/48/565014448.db2.gz DWXUTVXCHNDETM-INIZCTEOSA-N 1 0 385.961 2.884 20 0 GFADRO C[N@H+](C[C@@H](O)CN1CCO[C@H](c2cc(F)c(Cl)cc2Cl)C1)C1CC1 ZINC000562029014 565015430 /nfs/dbraw/zinc/01/54/30/565015430.db2.gz CCCUCVATTSDYJE-PXAZEXFGSA-N 1 0 377.287 2.961 20 0 GFADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(Cl)s2)CC1 ZINC000469371122 565015722 /nfs/dbraw/zinc/01/57/22/565015722.db2.gz JOFMNGFJJQMFRB-ZIAGYGMSSA-N 1 0 383.945 2.518 20 0 GFADRO COC(=O)[C@]1(C)C[N@H+](C[C@@H](O)COc2cc(Cl)ccc2Cl)C[C@H]1C ZINC000503265501 565016330 /nfs/dbraw/zinc/01/63/30/565016330.db2.gz DBBDWBPDZDXPJU-CJBNDPTMSA-N 1 0 376.280 2.864 20 0 GFADRO COC(=O)[C@H](c1ccc(Cl)c(Cl)c1)N(C)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000562035911 565016541 /nfs/dbraw/zinc/01/65/41/565016541.db2.gz BYGGFPMASDKSST-BBRMVZONSA-N 1 0 375.296 2.594 20 0 GFADRO CN(CC[NH+]1CCCC1)C(=O)C1(c2ccc(I)cc2)CC1 ZINC000503285341 565016739 /nfs/dbraw/zinc/01/67/39/565016739.db2.gz KHFVVCWGPYORLB-UHFFFAOYSA-N 1 0 398.288 2.877 20 0 GFADRO O=S(=O)(NCCC[NH2+][C@H]1CC[C@@H]1C1CC1)c1ccccc1Br ZINC000562066175 565017018 /nfs/dbraw/zinc/01/70/18/565017018.db2.gz ZOIXWOCFEIKWHO-HIFRSBDPSA-N 1 0 387.343 2.896 20 0 GFADRO C[NH+](C)CCN1C[C@H](C(=O)N[C@@H]2CCc3c2ccc(Cl)c3Cl)CC1=O ZINC000469487452 565018650 /nfs/dbraw/zinc/01/86/50/565018650.db2.gz HMPGGEBMAOSIRT-IAQYHMDHSA-N 1 0 384.307 2.507 20 0 GFADRO COCCC[NH+]1CCC(NC(=O)c2cc(Br)cc3[nH]cnc32)CC1 ZINC000503489455 565020920 /nfs/dbraw/zinc/02/09/20/565020920.db2.gz SGZFAMNZPXYQSE-UHFFFAOYSA-N 1 0 395.301 2.556 20 0 GFADRO C[C@@H](O)C[N@H+](Cc1ccc(I)cc1Cl)[C@@H](C)CO ZINC000503564636 565023352 /nfs/dbraw/zinc/02/33/52/565023352.db2.gz CEWFDMUYCWQGMX-VHSXEESVSA-N 1 0 383.657 2.508 20 0 GFADRO CC[NH+]1CCN(CCC(=O)N(C)[C@@H](C)c2ccccc2Br)CC1 ZINC000503630316 565024908 /nfs/dbraw/zinc/02/49/08/565024908.db2.gz CYYQCXNZYIPYGG-HNNXBMFYSA-N 1 0 382.346 2.996 20 0 GFADRO O=C(C[NH2+][C@@H]1CC2CCC1CC2)NCC(=O)Nc1ccccc1Br ZINC000562414347 565029153 /nfs/dbraw/zinc/02/91/53/565029153.db2.gz REANJYAQUDLVLC-SEEARECTSA-N 1 0 394.313 2.672 20 0 GFADRO C[C@@H](Cc1ccc(Br)cc1F)[NH2+]CC1(OCCO)CCOCC1 ZINC000503899306 565030424 /nfs/dbraw/zinc/03/04/24/565030424.db2.gz AAMNYDORGRRIJZ-ZDUSSCGKSA-N 1 0 390.293 2.667 20 0 GFADRO [NH3+]CCCOC1CCN(Cc2cc(Br)c3c(c2)OCCCO3)CC1 ZINC000469865364 565030628 /nfs/dbraw/zinc/03/06/28/565030628.db2.gz YCHOGHCAMGGTLP-UHFFFAOYSA-N 1 0 399.329 2.940 20 0 GFADRO CCOc1cc(CN2CC[C@@H](OC)C[C@@H]2C[NH3+])cc(Br)c1OC ZINC000469885055 565031092 /nfs/dbraw/zinc/03/10/92/565031092.db2.gz RSFVJKTZCDGBGJ-ZIAGYGMSSA-N 1 0 387.318 2.795 20 0 GFADRO O[C@@H]1C[C@H]([C@H]2CCCOC2)[N@H+](Cc2cc3c(cc2Br)OCCO3)C1 ZINC000562543383 565032390 /nfs/dbraw/zinc/03/23/90/565032390.db2.gz LKHRXNNFFUEQMM-JGGQBBKZSA-N 1 0 398.297 2.582 20 0 GFADRO COC(=O)[C@@H]1CC[N@H+](CC(=O)N[C@H](C)c2ccc(Br)cc2)[C@@H]1C ZINC000470005079 565034685 /nfs/dbraw/zinc/03/46/85/565034685.db2.gz WIWANMZSOJDBMQ-LALPHHSUSA-N 1 0 383.286 2.510 20 0 GFADRO C[C@@H](C[NH+]1CCCCC1)NC(=O)N[C@@H](CO)c1ccc(Br)cc1 ZINC000504081421 565034898 /nfs/dbraw/zinc/03/48/98/565034898.db2.gz ZGXQJTGCFKQUES-BBRMVZONSA-N 1 0 384.318 2.656 20 0 GFADRO O=C([C@H]1CCCN(Cc2csc(-c3ccsc3)n2)C1)N1CC[NH2+]CC1 ZINC000469991049 565034921 /nfs/dbraw/zinc/03/49/21/565034921.db2.gz IFLJBLIPLMJEFD-AWEZNQCLSA-N 1 0 376.551 2.515 20 0 GFADRO CC(C)c1n[nH]c(C(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)c1Br ZINC000470080266 565037157 /nfs/dbraw/zinc/03/71/57/565037157.db2.gz HTRVNWSIQXMUNX-GFCCVEGCSA-N 1 0 387.322 2.526 20 0 GFADRO CC[NH+]1CCN(CCC(=O)NC(C)(C)c2nc(C(F)(F)F)cs2)CC1 ZINC000470103617 565037980 /nfs/dbraw/zinc/03/79/80/565037980.db2.gz GQIIDUMPXOFADA-UHFFFAOYSA-N 1 0 378.464 2.541 20 0 GFADRO C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)Nc1ccc(Br)c(C2CC2)n1 ZINC000562763674 565042576 /nfs/dbraw/zinc/04/25/76/565042576.db2.gz MPUBTDSZMYHHQC-CABZTGNLSA-N 1 0 383.290 2.956 20 0 GFADRO O=C(NCC1CC[NH+](C2CC2)CC1)c1csc(I)c1 ZINC000470317146 565043067 /nfs/dbraw/zinc/04/30/67/565043067.db2.gz LCRQPOZFZDHIGA-UHFFFAOYSA-N 1 0 390.290 2.957 20 0 GFADRO CN1CCN(C(=O)N[C@H](c2ccc(Br)cc2)C2CCC2)[C@H](C[NH3+])C1 ZINC000562790984 565043191 /nfs/dbraw/zinc/04/31/91/565043191.db2.gz CCRGCMBNXJHVIL-SJORKVTESA-N 1 0 395.345 2.575 20 0 GFADRO COc1c(Cl)cc(NC(=O)N2CCC[N@@H+]([C@H](C)CO)CC2)cc1Cl ZINC000470354985 565043756 /nfs/dbraw/zinc/04/37/56/565043756.db2.gz MWZVLDYUKRNSJM-LLVKDONJSA-N 1 0 376.284 2.922 20 0 GFADRO O=C(CC[N@H+]1CCSC[C@H]1CCO)Nc1ccc(Br)cc1F ZINC000470367108 565043911 /nfs/dbraw/zinc/04/39/11/565043911.db2.gz LFJXLBZHYWRASV-GFCCVEGCSA-N 1 0 391.306 2.717 20 0 GFADRO CN(C)C(=O)CC[NH+]1CCN(Cc2cc(Cl)ccc2OC(F)F)CC1 ZINC000536664392 565044200 /nfs/dbraw/zinc/04/42/00/565044200.db2.gz OFNUUQITSUUWRI-UHFFFAOYSA-N 1 0 375.847 2.537 20 0 GFADRO C[C@H]1[C@H](C)[N@H+](C)CCN1CC(=O)Nc1c(F)cc(F)cc1Br ZINC000536740627 565046866 /nfs/dbraw/zinc/04/68/66/565046866.db2.gz DUIKONRIXTWXSA-UWVGGRQHSA-N 1 0 376.245 2.690 20 0 GFADRO CS[C@@H]1CN(C(=O)CSCC(=O)c2ccc(Cl)cc2)C[C@@H]1[NH+](C)C ZINC000536813232 565047327 /nfs/dbraw/zinc/04/73/27/565047327.db2.gz BDTMTFPXWBTRBN-GOEBONIOSA-N 1 0 386.970 2.760 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCC[C@H](S(C)(=O)=O)C1)c1ccc(-n2cncn2)cc1Cl ZINC000536879147 565048504 /nfs/dbraw/zinc/04/85/04/565048504.db2.gz VFFYCGVNFYCIHO-GUTXKFCHSA-N 1 0 382.917 2.927 20 0 GFADRO CCOc1ccc(S(=O)(=O)NC[C@@H](C)[NH+](CC)CC)cc1Br ZINC000470522654 565048614 /nfs/dbraw/zinc/04/86/14/565048614.db2.gz JGYQYBVSMJIVBJ-GFCCVEGCSA-N 1 0 393.347 2.856 20 0 GFADRO Cc1cc(S(=O)(=O)N2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)sc1C ZINC000536893828 565049013 /nfs/dbraw/zinc/04/90/13/565049013.db2.gz QBFGHUDXZPDGTO-GASCZTMLSA-N 1 0 386.583 2.875 20 0 GFADRO O=S(=O)(CC[NH2+]CCc1nc(C(F)(F)F)cs1)c1ccc(F)cc1 ZINC000562989793 565051293 /nfs/dbraw/zinc/05/12/93/565051293.db2.gz SCERXHLGXZGEQS-UHFFFAOYSA-N 1 0 382.404 2.907 20 0 GFADRO C[C@@H]1CC[C@H](C[NH2+]C[C@@H](O)COc2ccc(Cl)cc2Br)O1 ZINC000562998277 565051519 /nfs/dbraw/zinc/05/15/19/565051519.db2.gz DXQGLJRDUXHKHL-RAIGVLPGSA-N 1 0 378.694 2.999 20 0 GFADRO CCCN(CCC[NH+](C)C)C(=O)CSc1nnc(-c2cccs2)n1C ZINC000470669099 565052519 /nfs/dbraw/zinc/05/25/19/565052519.db2.gz RCTBZWAOFYFCIR-UHFFFAOYSA-N 1 0 381.571 2.826 20 0 GFADRO C[C@@H](O)C[N@@H+]1CCN(c2cc(C(F)(F)F)c(Br)cn2)[C@@H](C)C1 ZINC000563038570 565052715 /nfs/dbraw/zinc/05/27/15/565052715.db2.gz MMJDUOCWVIFPON-VHSXEESVSA-N 1 0 382.224 2.754 20 0 GFADRO CN(CCC[NH+](C)C)C(=O)c1ccc(Cl)c(I)c1 ZINC000537215135 565055223 /nfs/dbraw/zinc/05/52/23/565055223.db2.gz QJEHKZLPCYHHCV-UHFFFAOYSA-N 1 0 380.657 2.968 20 0 GFADRO Cc1cc(Br)ccc1CC(=O)NCCC[NH2+]Cc1cccnc1 ZINC000563105865 565055948 /nfs/dbraw/zinc/05/59/48/565055948.db2.gz JVECZMSJFHMXBZ-UHFFFAOYSA-N 1 0 376.298 2.991 20 0 GFADRO O=S(=O)(c1ccc2ccccc2c1Br)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000563129164 565056534 /nfs/dbraw/zinc/05/65/34/565056534.db2.gz DAOKWZBWQSAGED-ZFWWWQNUSA-N 1 0 395.322 2.975 20 0 GFADRO CC[NH2+]CCCNS(=O)(=O)c1cc(Br)cc(C(F)(F)F)c1 ZINC000563118924 565056552 /nfs/dbraw/zinc/05/65/52/565056552.db2.gz QVROPIMKGHVBPF-UHFFFAOYSA-N 1 0 389.237 2.746 20 0 GFADRO O=S(=O)(Cc1cc(Cl)ccc1Br)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000584412788 565079170 /nfs/dbraw/zinc/07/91/70/565079170.db2.gz ZSBHVDQFSZXDHX-HZMBPMFUSA-N 1 0 393.734 2.616 20 0 GFADRO CC(=O)N1CCC[C@H](C[NH2+]C[C@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000584465675 565081918 /nfs/dbraw/zinc/08/19/18/565081918.db2.gz VTIYEAOAFHBTPN-HIFRSBDPSA-N 1 0 375.296 2.581 20 0 GFADRO O=C(C[C@H]1Sc2ccc(Cl)cc2NC1=O)NCC12CCC[NH+]1CCC2 ZINC000684848011 565084921 /nfs/dbraw/zinc/08/49/21/565084921.db2.gz RWXADZGFMPIIGK-OAHLLOKOSA-N 1 0 379.913 2.888 20 0 GFADRO CC[C@H](Cc1ccccc1Br)C(=O)N1CCC[C@](O)(C[NH+](C)C)C1 ZINC000684845512 565085361 /nfs/dbraw/zinc/08/53/61/565085361.db2.gz RHXYQOFFLJIDDC-BEFAXECRSA-N 1 0 397.357 2.933 20 0 GFADRO C[C@@H](CNC(=O)N(C1CC1)[C@H]1CC[NH2+]C1)Oc1cccc(Br)c1 ZINC000584580004 565089074 /nfs/dbraw/zinc/08/90/74/565089074.db2.gz HMNRVPWWZSOHHG-WFASDCNBSA-N 1 0 382.302 2.752 20 0 GFADRO C[NH+](C)C[C@]1(O)CCCN(C(=O)CCC(=O)c2cc(Cl)sc2Cl)C1 ZINC000614068248 565093937 /nfs/dbraw/zinc/09/39/37/565093937.db2.gz YJIGVUBDDOBLEA-MRXNPFEDSA-N 1 0 393.336 2.933 20 0 GFADRO COCCOCC[N@H+](C)CCC(=O)Nc1ccc(Br)c(F)c1C ZINC000636162005 565094005 /nfs/dbraw/zinc/09/40/05/565094005.db2.gz UWFNGDZBKBMNRJ-UHFFFAOYSA-N 1 0 391.281 2.820 20 0 GFADRO O[C@H](COc1c(Cl)cccc1Cl)C[N@@H+]1CCC[C@@H]1[C@@H]1COCC[C@H]1O ZINC000685005327 565094153 /nfs/dbraw/zinc/09/41/53/565094153.db2.gz JEIWSGJHEZFREQ-WRFANHODSA-N 1 0 390.307 2.595 20 0 GFADRO Cn1ccc(CN2CCN(Cc3cc(Br)ccc3F)CC2)cc1=O ZINC000685007833 565094219 /nfs/dbraw/zinc/09/42/19/565094219.db2.gz ZWVKXHCSHLHCGK-UHFFFAOYSA-N 1 0 394.288 2.605 20 0 GFADRO O[C@H](COc1c(Cl)cccc1Cl)C[N@@H+]1CCC[C@@H]1[C@@H]1COCC[C@@H]1O ZINC000685005321 565094470 /nfs/dbraw/zinc/09/44/70/565094470.db2.gz JEIWSGJHEZFREQ-CLROSIBMSA-N 1 0 390.307 2.595 20 0 GFADRO COc1ccc(C(=O)NCC[NH2+]Cc2cncc(Br)c2C)cc1 ZINC000657323204 565097484 /nfs/dbraw/zinc/09/74/84/565097484.db2.gz WMEDLSBHEUFQAC-UHFFFAOYSA-N 1 0 378.270 2.681 20 0 GFADRO Cc1ccc(S(=O)(=O)NCC[NH2+]Cc2cncc(Br)c2C)cc1 ZINC000657332750 565097689 /nfs/dbraw/zinc/09/76/89/565097689.db2.gz OXDZYIRGGOAJDC-UHFFFAOYSA-N 1 0 398.326 2.529 20 0 GFADRO CC[NH+](CC)[C@H]1CCN(S(=O)(=O)c2c(F)cccc2OC(F)(F)F)C1 ZINC000584796487 565099224 /nfs/dbraw/zinc/09/92/24/565099224.db2.gz DSWMMGSWBKYJOB-NSHDSACASA-N 1 0 384.395 2.829 20 0 GFADRO Cc1c(Br)cncc1C[NH2+]Cc1cnc(N2CCOCC2)c(F)c1 ZINC000657438013 565101349 /nfs/dbraw/zinc/10/13/49/565101349.db2.gz YMSOELQDUFCFNZ-UHFFFAOYSA-N 1 0 395.276 2.813 20 0 GFADRO OC[C@@H](C[NH2+]Cc1cnn2c1CCC2)Cc1ccc(F)c(Br)c1 ZINC000657484983 565102951 /nfs/dbraw/zinc/10/29/51/565102951.db2.gz HXAXOTSDFYQCPZ-CYBMUJFWSA-N 1 0 382.277 2.672 20 0 GFADRO OC[C@@H](C[NH2+]Cc1cc2n(n1)CCC2)Cc1cc(Br)ccc1F ZINC000657483302 565102966 /nfs/dbraw/zinc/10/29/66/565102966.db2.gz IGAZAPQKZAGOHY-GFCCVEGCSA-N 1 0 382.277 2.672 20 0 GFADRO COc1ccc(Br)cc1C[C@H](CO)C[NH2+]Cc1cc2n(n1)CCC2 ZINC000657485004 565103465 /nfs/dbraw/zinc/10/34/65/565103465.db2.gz ILXLUHHOMLSAOD-ZDUSSCGKSA-N 1 0 394.313 2.541 20 0 GFADRO NS(=O)(=O)c1cc(C[NH2+]C[C@H](c2ccco2)N2CCCC2)ccc1Cl ZINC000685325329 565104113 /nfs/dbraw/zinc/10/41/13/565104113.db2.gz ZWAOHVRRZVVRAX-OAHLLOKOSA-N 1 0 383.901 2.507 20 0 GFADRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N(C)Cc1ccc(Cl)c(Cl)c1 ZINC000685310175 565104283 /nfs/dbraw/zinc/10/42/83/565104283.db2.gz GQVPIQDGOAYMQH-BZNIZROVSA-N 1 0 384.307 2.551 20 0 GFADRO CC[C@H]1C[N@H+](C)CCCN1C(=O)c1cc(Br)cc2c1OCCO2 ZINC000614333525 565108429 /nfs/dbraw/zinc/10/84/29/565108429.db2.gz KRYUXCYBIWJETR-ZDUSSCGKSA-N 1 0 383.286 2.777 20 0 GFADRO COc1ccc(F)cc1C[NH2+]CCNC(=O)c1ccc(Br)cn1 ZINC000657564339 565109203 /nfs/dbraw/zinc/10/92/03/565109203.db2.gz RMZLPEQXFMZHIS-UHFFFAOYSA-N 1 0 382.233 2.511 20 0 GFADRO CN(CCC[NH+]1CCCC1)C(=O)[C@@H]1CCO[C@H]1c1cncc(Br)c1 ZINC000614392101 565110840 /nfs/dbraw/zinc/11/08/40/565110840.db2.gz IAPJBIMSIXGOTM-SJORKVTESA-N 1 0 396.329 2.866 20 0 GFADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)Nc1ccc(Br)c(F)c1C ZINC000657589409 565111141 /nfs/dbraw/zinc/11/11/41/565111141.db2.gz YRRNNEMBELPSQO-JTQLQIEISA-N 1 0 388.281 2.682 20 0 GFADRO Cc1nc(C(=O)N2CCC[C@@H]([NH+]3CCOCC3)CC2)c(Br)s1 ZINC000614435602 565112107 /nfs/dbraw/zinc/11/21/07/565112107.db2.gz JDKRZFGNISAYTE-GFCCVEGCSA-N 1 0 388.331 2.541 20 0 GFADRO COc1ccc([C@@H]([NH2+]CC(=O)N2CCN(C)CC2)C(C)C)c(Br)c1 ZINC000685645739 565117790 /nfs/dbraw/zinc/11/77/90/565117790.db2.gz HLDDBRWFSAEVAO-SFHVURJKSA-N 1 0 398.345 2.518 20 0 GFADRO C[C@]1(CC[NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)CC1(F)F ZINC000657669304 565118068 /nfs/dbraw/zinc/11/80/68/565118068.db2.gz CVDWPLCYDPMSGD-LBPRGKRZSA-N 1 0 383.258 2.622 20 0 GFADRO COc1cc(C[NH2+]C[C@H]2CC(=O)N(C(C)(C)C)C2)cc(Br)c1O ZINC000657751769 565126078 /nfs/dbraw/zinc/12/60/78/565126078.db2.gz KANSOWQIPSMLNS-GFCCVEGCSA-N 1 0 385.302 2.900 20 0 GFADRO C[C@H](NC(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1)[C@@H](O)C(F)(F)F ZINC000636839668 565127164 /nfs/dbraw/zinc/12/71/64/565127164.db2.gz DTGFKIDRLJQRSH-CDGCEXEKSA-N 1 0 379.448 2.742 20 0 GFADRO CC(C)(C)N1C[C@H](C[NH2+]Cc2cc(Br)c3c(c2)OCCO3)CC1=O ZINC000657754592 565127947 /nfs/dbraw/zinc/12/79/47/565127947.db2.gz KUAMTDAIVXIGFG-ZDUSSCGKSA-N 1 0 397.313 2.957 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)c1c(F)cccc1I ZINC000614711086 565129650 /nfs/dbraw/zinc/12/96/50/565129650.db2.gz FQDDEOFNBXXCJS-VXGBXAGGSA-N 1 0 376.213 2.643 20 0 GFADRO Cc1ccc(CNC(=O)NCCN2CCC([NH+](C)C)CC2)cc1Br ZINC000636988572 565133750 /nfs/dbraw/zinc/13/37/50/565133750.db2.gz WSIKROYJXODDLW-UHFFFAOYSA-N 1 0 397.361 2.583 20 0 GFADRO CSc1ccc(Cl)c(NC(=O)C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)c1 ZINC000657859066 565134067 /nfs/dbraw/zinc/13/40/67/565134067.db2.gz PEGWDTGVJHJOLE-MLGOLLRUSA-N 1 0 381.929 2.943 20 0 GFADRO COc1cc(F)c(S(=O)(=O)NCC2([NH+](C)C)CCCCCC2)c(F)c1 ZINC000588676938 565137280 /nfs/dbraw/zinc/13/72/80/565137280.db2.gz IXXNPBLTPQKGJJ-UHFFFAOYSA-N 1 0 376.469 2.906 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)[C@@H]1CSCN1C(=O)C1CCCC1)c1ccsc1 ZINC000588750232 565139317 /nfs/dbraw/zinc/13/93/17/565139317.db2.gz JFQSCSLJGSOMPP-CVEARBPZSA-N 1 0 381.567 2.559 20 0 GFADRO Cc1c(F)c(Br)ccc1C(=O)N(C)CCC[N@@H+](C)CCN(C)C ZINC000614937588 565139240 /nfs/dbraw/zinc/13/92/40/565139240.db2.gz KWYBOEQPIMMVQN-UHFFFAOYSA-N 1 0 388.325 2.852 20 0 GFADRO CC[C@H](C)[NH2+][C@H](CNC(=O)NCc1c(Br)cnn1C)c1ccco1 ZINC000637139803 565141590 /nfs/dbraw/zinc/14/15/90/565141590.db2.gz OOUFACLEPMEPIL-WCQYABFASA-N 1 0 398.305 2.704 20 0 GFADRO C[C@H]1COCC[N@@H+]1C1CCN(C(=O)Cc2sccc2Br)CC1 ZINC000615087952 565143680 /nfs/dbraw/zinc/14/36/80/565143680.db2.gz PLHSFMLOOAUBIM-LBPRGKRZSA-N 1 0 387.343 2.765 20 0 GFADRO COCC[N@H+](C)CCNC(=O)NCC1(c2ccc(Br)cc2)CCC1 ZINC000588974426 565146434 /nfs/dbraw/zinc/14/64/34/565146434.db2.gz CYBQPKFXHMEDNX-UHFFFAOYSA-N 1 0 398.345 2.748 20 0 GFADRO C[C@H](C[NH2+][C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1)c1ccccn1 ZINC000658067833 565149641 /nfs/dbraw/zinc/14/96/41/565149641.db2.gz ZMENJLFPUKKXQB-NEPJUHHUSA-N 1 0 398.326 2.946 20 0 GFADRO C[C@H]([NH2+]CCNC(=O)c1ccc(Br)cn1)c1ccc2c(c1)COC2 ZINC000658093306 565150418 /nfs/dbraw/zinc/15/04/18/565150418.db2.gz VUNOGKDYMGIJQC-LBPRGKRZSA-N 1 0 390.281 2.955 20 0 GFADRO Cc1ccc(NC(=O)C(=O)NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)c(Br)c1 ZINC000658119198 565150822 /nfs/dbraw/zinc/15/08/22/565150822.db2.gz KSSIABQPPVSYQE-ZDUSSCGKSA-N 1 0 396.329 2.933 20 0 GFADRO Cc1cc(Br)cc(NC(=O)C(=O)NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)c1 ZINC000658121747 565151704 /nfs/dbraw/zinc/15/17/04/565151704.db2.gz QLYRCJYIOCARGI-ZDUSSCGKSA-N 1 0 396.329 2.933 20 0 GFADRO O=C(c1ccc(-n2cc(Br)cn2)cc1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000589140685 565152397 /nfs/dbraw/zinc/15/23/97/565152397.db2.gz CBFHDKRJSOMJME-QGZVFWFLSA-N 1 0 389.297 2.945 20 0 GFADRO OCCO[C@]1(C[NH2+][C@@H]2CCCCc3ccc(Br)cc32)CCOC1 ZINC000658143999 565153442 /nfs/dbraw/zinc/15/34/42/565153442.db2.gz JWIXNELGFMBKTB-MSOLQXFVSA-N 1 0 384.314 2.974 20 0 GFADRO OCCO[C@]1(C[NH2+][C@@H]2CCSc3ccc(Br)cc32)CCOC1 ZINC000658149563 565153459 /nfs/dbraw/zinc/15/34/59/565153459.db2.gz UASZNTAUFQYGLB-ZBFHGGJFSA-N 1 0 388.327 2.744 20 0 GFADRO C[N@@H+]1CCC[C@H]1[C@@H]1COCCN1C(=O)c1cc(Br)c(F)cc1F ZINC000615271473 565154744 /nfs/dbraw/zinc/15/47/44/565154744.db2.gz XOMVSOVUOQPUNE-GJZGRUSLSA-N 1 0 389.240 2.663 20 0 GFADRO C[C@H]([NH2+]C[C@H]1CCC[C@@H](C)O1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000658215250 565155550 /nfs/dbraw/zinc/15/55/50/565155550.db2.gz GMSMITOIMLIUAJ-NTZNESFSSA-N 1 0 391.331 2.705 20 0 GFADRO C[C@H]([NH2+][C@H]1C[C@H](O)C12CCC2)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000658252310 565156222 /nfs/dbraw/zinc/15/62/22/565156222.db2.gz QBVFKNQQJDGWAN-YZMDESFKSA-N 1 0 379.309 2.595 20 0 GFADRO C[C@H]([NH2+]C[C@]1(C)CC1(F)F)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000658222408 565156381 /nfs/dbraw/zinc/15/63/81/565156381.db2.gz NPNMEMDNOCALTJ-UFBFGSQYSA-N 1 0 383.258 2.792 20 0 GFADRO C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)C1CCN(C(=O)c2ccc(Cl)s2)CC1 ZINC000615307562 565157771 /nfs/dbraw/zinc/15/77/71/565157771.db2.gz GYFVKOJNGBNMEO-JSGCOSHPSA-N 1 0 383.945 2.805 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccc(F)cc2Br)C1 ZINC000658259404 565158050 /nfs/dbraw/zinc/15/80/50/565158050.db2.gz BLORJXOPFHJYAZ-LLVKDONJSA-N 1 0 386.265 2.516 20 0 GFADRO CCn1c(SCC(=O)N2CC[C@@H]([NH+](C)C)[C@H]2C)nnc1-c1cccs1 ZINC000615309901 565158024 /nfs/dbraw/zinc/15/80/24/565158024.db2.gz BPYWRMAOIXVXQG-CHWSQXEVSA-N 1 0 379.555 2.670 20 0 GFADRO C[NH+](C)C[C@H](NC(=O)NC[C@]1(O)CCSC1)c1ccc(Cl)c(Cl)c1 ZINC000637472681 565158505 /nfs/dbraw/zinc/15/85/05/565158505.db2.gz HCXDAPMIARIUTG-GOEBONIOSA-N 1 0 392.352 2.763 20 0 GFADRO O=C(NCc1csc(C(F)(F)F)c1)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000637524159 565160410 /nfs/dbraw/zinc/16/04/10/565160410.db2.gz LTBHTHKTGGSEPT-OLZOCXBDSA-N 1 0 377.432 2.508 20 0 GFADRO [NH3+]C1CCN(S(=O)(=O)c2cc(Cl)c(Cl)cc2Br)CC1 ZINC000658360628 565161890 /nfs/dbraw/zinc/16/18/90/565161890.db2.gz PYOQTKQAJBUZGN-UHFFFAOYSA-N 1 0 388.114 2.868 20 0 GFADRO CCCOc1ccc(Br)cc1S(=O)(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000658367042 565163115 /nfs/dbraw/zinc/16/31/15/565163115.db2.gz HPARSCKVLAXVQG-LBPRGKRZSA-N 1 0 391.331 2.516 20 0 GFADRO CC1(CNS(=O)(=O)c2cc(Cl)cc(Br)c2)CC[NH2+]CC1 ZINC000658377408 565163457 /nfs/dbraw/zinc/16/34/57/565163457.db2.gz UERPGKORJKNUFH-UHFFFAOYSA-N 1 0 381.723 2.771 20 0 GFADRO CCCOc1ccc(Br)cc1S(=O)(=O)N1C[C@H](C[NH3+])C[C@@H]1C ZINC000658374334 565163991 /nfs/dbraw/zinc/16/39/91/565163991.db2.gz NHZBYNUGGRWHPQ-RYUDHWBXSA-N 1 0 391.331 2.596 20 0 GFADRO CSC1(CNC(=O)c2ccc3c(c2)NC(=O)CCS3)CC[NH+](C)CC1 ZINC000589475931 565164443 /nfs/dbraw/zinc/16/44/43/565164443.db2.gz UTFQFNJSVVXZAS-UHFFFAOYSA-N 1 0 379.551 2.678 20 0 GFADRO C[C@H]1CCCN(S(=O)(=O)Cc2cc(F)ccc2Br)[C@H]1CC[NH3+] ZINC000658384204 565166091 /nfs/dbraw/zinc/16/60/91/565166091.db2.gz VICHGVMKNDVICH-NHYWBVRUSA-N 1 0 393.322 2.867 20 0 GFADRO CN(CC(C)(C)[NH3+])S(=O)(=O)c1ccc(Br)cc1C(F)(F)F ZINC000658388100 565166886 /nfs/dbraw/zinc/16/68/86/565166886.db2.gz REHCDCFYDBRTTP-UHFFFAOYSA-N 1 0 389.237 2.826 20 0 GFADRO COCc1cc(Cl)cc(S(=O)(=O)N2CCC[C@@H](C3CC[NH2+]CC3)C2)c1 ZINC000658386174 565167068 /nfs/dbraw/zinc/16/70/68/565167068.db2.gz DNZPDZNLMSCZGT-MRXNPFEDSA-N 1 0 386.945 2.887 20 0 GFADRO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NS(=O)(=O)c2ccc(C)s2)cc1F ZINC000658392524 565167261 /nfs/dbraw/zinc/16/72/61/565167261.db2.gz LZWHDYDCUKNMAO-ZFWWWQNUSA-N 1 0 384.498 2.628 20 0 GFADRO O=C(Cc1c(Cl)cccc1Br)NC[C@H]1CCCC[N@H+]1CCO ZINC000615657810 565169219 /nfs/dbraw/zinc/16/92/19/565169219.db2.gz WYWGLSKTGHEFRK-GFCCVEGCSA-N 1 0 389.721 2.608 20 0 GFADRO Cc1cc(Cl)cc(NC(=O)C(=O)NCC[C@@H](C)[NH+](C)C)c1Br ZINC000658426045 565169431 /nfs/dbraw/zinc/16/94/31/565169431.db2.gz GDGZPHITNMZNED-SNVBAGLBSA-N 1 0 390.709 2.806 20 0 GFADRO CCN(C(=O)C(=O)Nc1ccc(C)c(Br)c1)[C@@H]1CC[N@H+](CC)C1 ZINC000658462633 565171779 /nfs/dbraw/zinc/17/17/79/565171779.db2.gz JPZXQIFIRFWKPT-CQSZACIVSA-N 1 0 382.302 2.639 20 0 GFADRO CCN(C(=O)C(=O)Nc1nc(-c2cccs2)cs1)[C@H]1CC[N@H+](CC)C1 ZINC000658469255 565171815 /nfs/dbraw/zinc/17/18/15/565171815.db2.gz YDTICWFKRUXEPF-LBPRGKRZSA-N 1 0 378.523 2.753 20 0 GFADRO O=C(NCC[C@H]1CCC[NH2+]C1)N1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000637770994 565172117 /nfs/dbraw/zinc/17/21/17/565172117.db2.gz PLPDRLVVJUZWRG-PBHICJAKSA-N 1 0 396.329 2.922 20 0 GFADRO [NH3+]CCCOC1CCN(C(=O)[C@@H]2[C@@H]3Cc4c(cccc4Br)[C@@H]32)CC1 ZINC000637864055 565174642 /nfs/dbraw/zinc/17/46/42/565174642.db2.gz HYFKMYBPFMCBAV-BPQIPLTHSA-N 1 0 393.325 2.691 20 0 GFADRO CO[C@H]1C[NH2+][C@](C)(C(=O)Nc2nnc(SCc3ccc(F)cc3)s2)C1 ZINC000637874647 565175245 /nfs/dbraw/zinc/17/52/45/565175245.db2.gz DELSPFAUSUPFET-WBMJQRKESA-N 1 0 382.486 2.675 20 0 GFADRO CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)[C@@]1(C)C[C@@H](OC)C[NH2+]1 ZINC000637897375 565175519 /nfs/dbraw/zinc/17/55/19/565175519.db2.gz GNIBNFDILJJBOD-PIGZYNQJSA-N 1 0 388.295 2.547 20 0 GFADRO C[N@@H+]1C[C@H]2CCN(C(=O)CSCc3ccc(Br)cc3F)[C@H]2C1 ZINC000590044655 565175880 /nfs/dbraw/zinc/17/58/80/565175880.db2.gz KUQJXYKPKVOEEG-ABAIWWIYSA-N 1 0 387.318 2.984 20 0 GFADRO C[N@@H+](Cc1ccccc1)C[C@@H](N)C(=O)NCc1cc(Br)cs1 ZINC000637935082 565177786 /nfs/dbraw/zinc/17/77/86/565177786.db2.gz LPYVIZHHVBLGHP-OAHLLOKOSA-N 1 0 382.327 2.586 20 0 GFADRO Cc1noc([C@@H]2CCC[N@H+](Cc3cnn4cc(Br)cnc34)C2)n1 ZINC000637941298 565177839 /nfs/dbraw/zinc/17/78/39/565177839.db2.gz GDVLERBZOKBMQN-LLVKDONJSA-N 1 0 377.246 2.563 20 0 GFADRO CCN(CC)C(=O)C1CC[NH+](Cc2cnn3cc(Br)cnc23)CC1 ZINC000637977130 565179263 /nfs/dbraw/zinc/17/92/63/565179263.db2.gz GFPVZAOAVKEVKS-UHFFFAOYSA-N 1 0 394.317 2.572 20 0 GFADRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)NCc2ccc(Cl)c(Cl)c2)C1 ZINC000658644134 565180479 /nfs/dbraw/zinc/18/04/79/565180479.db2.gz MKRMQQUJIKURCC-CZUORRHYSA-N 1 0 384.307 2.552 20 0 GFADRO COc1ccc([C@H]2CC[N@H+](Cc3ccc(S(N)(=O)=O)c(Cl)c3)C2)cc1 ZINC000637997769 565180584 /nfs/dbraw/zinc/18/05/84/565180584.db2.gz WKLGHGYSOMSRSB-HNNXBMFYSA-N 1 0 380.897 2.986 20 0 GFADRO O=C(N[C@@H]1CCC[NH2+]C1)N(Cc1cccc(Br)c1)C1CCOCC1 ZINC000638016965 565182080 /nfs/dbraw/zinc/18/20/80/565182080.db2.gz PYGJNETXWXPFOO-MRXNPFEDSA-N 1 0 396.329 2.892 20 0 GFADRO CC[C@@](C)(C[NH+]1CCN(CC(=O)Nc2ccc(Br)cc2)CC1)OC ZINC000638179157 565187762 /nfs/dbraw/zinc/18/77/62/565187762.db2.gz QCOSZRUCNAATTL-SFHVURJKSA-N 1 0 398.345 2.820 20 0 GFADRO O=C([C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000638235631 565188547 /nfs/dbraw/zinc/18/85/47/565188547.db2.gz YDBKOTQMCKBWAG-NOCIGQNYSA-N 1 0 375.310 2.937 20 0 GFADRO O=C(c1cc(Br)c2nccn2c1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000638240301 565188579 /nfs/dbraw/zinc/18/85/79/565188579.db2.gz MLJKWTQBZDXENY-CYBMUJFWSA-N 1 0 377.286 2.559 20 0 GFADRO CO[C@@H]1C[NH2+][C@@](C)(C(=O)N2CCC(c3ccc(Br)cc3)CC2)C1 ZINC000638300177 565191673 /nfs/dbraw/zinc/19/16/73/565191673.db2.gz NHOJDFJEVYXEJV-FUHWJXTLSA-N 1 0 381.314 2.922 20 0 GFADRO CO[C@@H]1C[NH2+][C@@](C)(C(=O)N2CCc3sc(-c4csc(C)n4)cc3C2)C1 ZINC000638308999 565191706 /nfs/dbraw/zinc/19/17/06/565191706.db2.gz BJDCHESEZRKDBW-SCLBCKFNSA-N 1 0 377.535 2.832 20 0 GFADRO CN1CC[C@@H]([NH2+]Cc2nnc3n2CCC3)C[C@H]1c1ccc(Br)cc1 ZINC000638346250 565192471 /nfs/dbraw/zinc/19/24/71/565192471.db2.gz GYCYIKNOOGPPAL-CVEARBPZSA-N 1 0 390.329 2.912 20 0 GFADRO CCSc1ccc(CC(=O)N2CCCO[C@H](C[NH3+])C2)c(Br)c1 ZINC000638343834 565192582 /nfs/dbraw/zinc/19/25/82/565192582.db2.gz MJOKPCJAFUGSOF-CYBMUJFWSA-N 1 0 387.343 2.680 20 0 GFADRO CO[C@H]1C[NH2+][C@](C)(C(=O)NCCc2csc(-c3ccc(Cl)cc3)n2)C1 ZINC000638379215 565193420 /nfs/dbraw/zinc/19/34/20/565193420.db2.gz XFMBDKAULPYNAZ-QAPCUYQASA-N 1 0 379.913 2.889 20 0 GFADRO CO[C@H](C[NH2+]C[C@@H]1CCN(c2cccc(Br)c2)C1)[C@@H]1CCOC1 ZINC000638417313 565195305 /nfs/dbraw/zinc/19/53/05/565195305.db2.gz CHPNMXIKIUVYSF-HDMKZQKVSA-N 1 0 383.330 2.917 20 0 GFADRO O=C(Nc1ccc([C@H]2C[NH2+]CCO2)cc1)c1c(F)cncc1Br ZINC000638418047 565195797 /nfs/dbraw/zinc/19/57/97/565195797.db2.gz LIUHHZYPKQSCHA-CQSZACIVSA-N 1 0 380.217 2.896 20 0 GFADRO [NH3+]CCCCn1cc(C(=O)Nc2cc(Cl)c(Br)cc2F)nn1 ZINC000638477368 565197731 /nfs/dbraw/zinc/19/77/31/565197731.db2.gz TVDBLJHNOPFNKY-UHFFFAOYSA-N 1 0 390.644 2.824 20 0 GFADRO O=C(NCCC[NH2+]C1CC(n2cccn2)C1)c1cccc(Br)c1 ZINC000638476098 565198013 /nfs/dbraw/zinc/19/80/13/565198013.db2.gz KOOSIQWDHFDRJD-UHFFFAOYSA-N 1 0 377.286 2.759 20 0 GFADRO [NH3+]C[C@@H](NC(=O)NCC1(Cc2ccc(Br)cc2)CC1)C(F)(F)F ZINC000659025503 565199210 /nfs/dbraw/zinc/19/92/10/565199210.db2.gz RZANLTRZZDTWJS-GFCCVEGCSA-N 1 0 394.235 2.961 20 0 GFADRO Cc1cc(Br)c(Cl)cc1NC(=O)C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000659084165 565200483 /nfs/dbraw/zinc/20/04/83/565200483.db2.gz ANWBRWJGWQAVPO-OAHLLOKOSA-N 1 0 388.693 2.547 20 0 GFADRO Cc1cc(Br)c(Cl)cc1NC(=O)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000659085741 565200793 /nfs/dbraw/zinc/20/07/93/565200793.db2.gz NJEFOFXVXJRSGP-VHSXEESVSA-N 1 0 388.693 2.736 20 0 GFADRO COc1ccc(CCC(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)c(Br)c1 ZINC000616419175 565201047 /nfs/dbraw/zinc/20/10/47/565201047.db2.gz BYUOAGAPIRYRJH-WMLDXEAASA-N 1 0 381.314 2.943 20 0 GFADRO Cc1cc(Br)c(CNC(=O)C(=O)Nc2ccc3c(c2)C[NH2+]C3)s1 ZINC000659102375 565201343 /nfs/dbraw/zinc/20/13/43/565201343.db2.gz BIKJRAZFKXLPLJ-UHFFFAOYSA-N 1 0 394.294 2.677 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)c2cc(Br)ccc2O)CC[C@H]1C(F)(F)F ZINC000638560926 565202647 /nfs/dbraw/zinc/20/26/47/565202647.db2.gz VRXARDYPXXZWJL-LDYMZIIASA-N 1 0 381.192 2.754 20 0 GFADRO C[NH2+]C[C@H](C)NC(=O)C(=O)Nc1ccc(Sc2nc(C)cs2)cc1C ZINC000659111301 565202744 /nfs/dbraw/zinc/20/27/44/565202744.db2.gz IDTHTKORTKTIHO-NSHDSACASA-N 1 0 378.523 2.574 20 0 GFADRO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)Nc1ccc(Br)cc1Cl ZINC000659108817 565202984 /nfs/dbraw/zinc/20/29/84/565202984.db2.gz ZAKNNGSIKXOBCM-LLVKDONJSA-N 1 0 376.682 2.531 20 0 GFADRO C[C@H](CS(C)(=O)=O)[NH2+][C@H]1CCN(C)[C@@H](c2ccc(Br)cc2)C1 ZINC000638590806 565203741 /nfs/dbraw/zinc/20/37/41/565203741.db2.gz RHRHVXHXPRCDBI-UHOFOFEASA-N 1 0 389.359 2.607 20 0 GFADRO CO[C@H](C[NH3+])CC(=O)N[C@@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC000638596154 565203773 /nfs/dbraw/zinc/20/37/73/565203773.db2.gz MIXLYGPCNWUULZ-XHDPSFHLSA-N 1 0 380.286 2.788 20 0 GFADRO CNC(=O)c1cccc(CC[NH2+]Cc2snc(OC)c2Br)c1 ZINC000638679398 565207224 /nfs/dbraw/zinc/20/72/24/565207224.db2.gz LJDDPFJIQJPERZ-UHFFFAOYSA-N 1 0 384.299 2.606 20 0 GFADRO CO[C@]1(C[NH2+][C@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)CCOC1 ZINC000638758886 565209308 /nfs/dbraw/zinc/20/93/08/565209308.db2.gz CKYDWFLMLKKYDM-WFASDCNBSA-N 1 0 379.810 2.728 20 0 GFADRO C[N@H+](CCNC(=O)c1sc2c(c1Br)CNC2)Cc1ccccc1 ZINC000659288399 565210322 /nfs/dbraw/zinc/21/03/22/565210322.db2.gz HHCXKCXEOUDZFK-UHFFFAOYSA-N 1 0 394.338 2.976 20 0 GFADRO [NH3+]CCOc1ccc(NC(=O)c2sc3c(c2Br)CNC3)cc1 ZINC000659301770 565211382 /nfs/dbraw/zinc/21/13/82/565211382.db2.gz CUYCXDRDWUSURM-UHFFFAOYSA-N 1 0 382.283 2.704 20 0 GFADRO C[C@H](CCc1ccc(I)cc1)[NH2+]C[C@H]1CCCNC1=O ZINC000590971813 565211787 /nfs/dbraw/zinc/21/17/87/565211787.db2.gz NVPQKHLRXWWUSP-TZMCWYRMSA-N 1 0 386.277 2.728 20 0 GFADRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2sc3c(c2Br)CNC3)C1 ZINC000659313018 565211759 /nfs/dbraw/zinc/21/17/59/565211759.db2.gz BZXWFSWXYLIBRQ-CMPLNLGQSA-N 1 0 384.343 2.670 20 0 GFADRO [NH3+][C@H]1CCc2ncc(NC(=O)Cc3ccc(Br)cc3F)cc2C1 ZINC000659301063 565212077 /nfs/dbraw/zinc/21/20/77/565212077.db2.gz DCMQSKUJVKFVGE-ZDUSSCGKSA-N 1 0 378.245 2.980 20 0 GFADRO CN(Cc1ccc(Br)cc1F)C(=O)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC000638827684 565213502 /nfs/dbraw/zinc/21/35/02/565213502.db2.gz BRGVXRLUBOHYJD-JTQLQIEISA-N 1 0 381.249 2.660 20 0 GFADRO C[C@@H]1C[C@H](C)N(C(=O)c2cc(Br)cc3c2OCCO3)C[C@@H]1C[NH3+] ZINC000659326023 565213522 /nfs/dbraw/zinc/21/35/22/565213522.db2.gz PQENSSFPCLBJKO-WOPDTQHZSA-N 1 0 383.286 2.666 20 0 GFADRO [NH3+][C@H](Cc1ccccc1)C(=O)N1CCN(c2ccc(Br)cc2)CC1 ZINC000659358003 565214156 /nfs/dbraw/zinc/21/41/56/565214156.db2.gz OATXWVMRNWNOME-GOSISDBHSA-N 1 0 388.309 2.668 20 0 GFADRO C[C@H]1[NH2+]CC[C@H]1C(=O)N1CC2(CCOCC2)c2ccc(Br)cc21 ZINC000638840473 565214261 /nfs/dbraw/zinc/21/42/61/565214261.db2.gz CJQSUSPAEHIMRT-TZMCWYRMSA-N 1 0 379.298 2.842 20 0 GFADRO [NH3+][C@@H]1CCCCCN(C(=O)c2ncc(Br)cc2Br)C1 ZINC000638833755 565214508 /nfs/dbraw/zinc/21/45/08/565214508.db2.gz CBPYERKTFFJPCO-SNVBAGLBSA-N 1 0 391.107 2.950 20 0 GFADRO COc1cc(C[NH2+]C2CCN(S(=O)(=O)CC(C)C)CC2)c(Cl)cc1O ZINC000638847964 565215687 /nfs/dbraw/zinc/21/56/87/565215687.db2.gz WGTTVGLVTGTBLT-UHFFFAOYSA-N 1 0 390.933 2.594 20 0 GFADRO CC(C)[C@H]([NH3+])CCNC(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000659486944 565217536 /nfs/dbraw/zinc/21/75/36/565217536.db2.gz UAPQKQHJVDTCQK-GDBMZVCRSA-N 1 0 383.334 2.700 20 0 GFADRO Cc1cc(COc2ccc(C(=O)N3C[C@H]([NH3+])C[C@@H]3C)cc2Br)no1 ZINC000638938985 565218206 /nfs/dbraw/zinc/21/82/06/565218206.db2.gz OQNGHEXHAIWMCV-GXFFZTMASA-N 1 0 394.269 2.886 20 0 GFADRO CCCOc1c(Br)cc(C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1OC ZINC000638919866 565218274 /nfs/dbraw/zinc/21/82/74/565218274.db2.gz MTXHQUJDRDYBEM-BETUJISGSA-N 1 0 383.286 2.823 20 0 GFADRO C[C@H]1C[C@@H]([NH3+])CN1C(=O)Cc1ccc(Br)c(Br)c1 ZINC000638931103 565218364 /nfs/dbraw/zinc/21/83/64/565218364.db2.gz NTQJYFHKHLNMJW-WCBMZHEXSA-N 1 0 376.092 2.702 20 0 GFADRO [NH3+][C@@H]1CN(C(=O)NCc2cc(Br)ccc2OC(F)F)CC[C@H]1F ZINC000659448105 565218334 /nfs/dbraw/zinc/21/83/34/565218334.db2.gz QYIYFYJUNAKVGL-GHMZBOCLSA-N 1 0 396.207 2.631 20 0 GFADRO [NH3+]CCCNC(=O)N1CCc2cc(Br)c(Br)cc2C1 ZINC000659509772 565218685 /nfs/dbraw/zinc/21/86/85/565218685.db2.gz IPXOMWQBJJLYAH-UHFFFAOYSA-N 1 0 391.107 2.628 20 0 GFADRO O=C(NCC[C@@H]1CC[NH2+]C1)N1CCOC[C@H]1c1ccc(Br)cc1 ZINC000659513196 565218706 /nfs/dbraw/zinc/21/87/06/565218706.db2.gz HCBHDQVCONEGDK-BBRMVZONSA-N 1 0 382.302 2.532 20 0 GFADRO C[C@@H](NC(=O)N1CCOc2cc(Br)ccc2C1)[C@H]1CCC[NH2+]C1 ZINC000659509723 565218734 /nfs/dbraw/zinc/21/87/34/565218734.db2.gz HXIOOJPBJITCNV-OLZOCXBDSA-N 1 0 382.302 2.741 20 0 GFADRO C[C@H](NC(=O)N1CCOC[C@H]1c1ccc(Br)cc1)[C@H]1CCC[NH2+]C1 ZINC000659512821 565218765 /nfs/dbraw/zinc/21/87/65/565218765.db2.gz WLVXUQSPKIEDKI-QRTARXTBSA-N 1 0 396.329 2.920 20 0 GFADRO O=C([C@@H]1[C@@H]2Cc3cc(Br)ccc3[C@@H]21)N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000639018913 565220869 /nfs/dbraw/zinc/22/08/69/565220869.db2.gz ACKZKHDMFAVQSS-FKHNRKFTSA-N 1 0 375.310 2.935 20 0 GFADRO C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000639028244 565220977 /nfs/dbraw/zinc/22/09/77/565220977.db2.gz XQVKIOWJAFJFKS-SLEUVZQESA-N 1 0 384.307 2.712 20 0 GFADRO Brc1cnc2c(C[NH+]3CCC(OC[C@@H]4CCOC4)CC3)cnn2c1 ZINC000639034427 565221916 /nfs/dbraw/zinc/22/19/16/565221916.db2.gz FMKAEWBNKXGYMK-CYBMUJFWSA-N 1 0 395.301 2.509 20 0 GFADRO Brc1cnc2c(C[NH+]3CCC(OC[C@H]4CCOC4)CC3)cnn2c1 ZINC000639034428 565221922 /nfs/dbraw/zinc/22/19/22/565221922.db2.gz FMKAEWBNKXGYMK-ZDUSSCGKSA-N 1 0 395.301 2.509 20 0 GFADRO O=C(NC[C@@H]1CCCC[NH2+]1)Nc1cc(F)c(F)cc1I ZINC000591288211 565222008 /nfs/dbraw/zinc/22/20/08/565222008.db2.gz XUSPGXPZCTYMSN-QMMMGPOBSA-N 1 0 395.191 2.833 20 0 GFADRO C[N@H+](Cc1ccc(S(N)(=O)=O)s1)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000639043970 565222039 /nfs/dbraw/zinc/22/20/39/565222039.db2.gz DBZKQKIILWJNQJ-GOEBONIOSA-N 1 0 384.498 2.887 20 0 GFADRO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N[C@H](C)c1cc(F)c(Cl)cc1Cl ZINC000659673777 565222400 /nfs/dbraw/zinc/22/24/00/565222400.db2.gz HGDQSERRMOLYLQ-YMTOWFKASA-N 1 0 378.275 2.799 20 0 GFADRO COC(=O)c1c(Br)ccc(NC(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)c1C ZINC000591301983 565222483 /nfs/dbraw/zinc/22/24/83/565222483.db2.gz DZPSRXWJONOGLG-BXUZGUMPSA-N 1 0 396.285 2.760 20 0 GFADRO COC(=O)c1cc(F)c(Br)cc1NC(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000591303742 565222533 /nfs/dbraw/zinc/22/25/33/565222533.db2.gz SWVOZWDIYSYTHR-VIFPVBQESA-N 1 0 388.237 2.638 20 0 GFADRO O=C(Nc1cccc(F)c1I)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000591293984 565222771 /nfs/dbraw/zinc/22/27/71/565222771.db2.gz ICCSYOVFEDREAR-SKDRFNHKSA-N 1 0 389.212 2.646 20 0 GFADRO Cc1cc(I)cc(NC(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)c1 ZINC000591306834 565223499 /nfs/dbraw/zinc/22/34/99/565223499.db2.gz ONTKHKAGOVVWJD-FZMZJTMJSA-N 1 0 385.249 2.815 20 0 GFADRO C[C@H](C[C@@H]1CCCC(=O)N1)[NH2+][C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000639110039 565226477 /nfs/dbraw/zinc/22/64/77/565226477.db2.gz KGTHSAKYZUBWRO-IVMMDQJWSA-N 1 0 394.313 2.591 20 0 GFADRO O=c1c(C[NH2+]CCCCn2cc(Br)cn2)cccn1C(F)F ZINC000639119661 565227845 /nfs/dbraw/zinc/22/78/45/565227845.db2.gz ZETNUHVNVJQFGA-UHFFFAOYSA-N 1 0 375.217 2.772 20 0 GFADRO CC[C@@H](c1ccc(Br)cc1)N1CC[NH+](C[C@@H]2CNC(=O)C2)CC1 ZINC000659877031 565228295 /nfs/dbraw/zinc/22/82/95/565228295.db2.gz BNBZOUOXYCIODL-YOEHRIQHSA-N 1 0 380.330 2.654 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+][C@@]2(Cc3ccc(Cl)cc3)CCOC2)s1 ZINC000639140283 565228695 /nfs/dbraw/zinc/22/86/95/565228695.db2.gz URKADNKSHDNAQB-MRXNPFEDSA-N 1 0 386.926 2.540 20 0 GFADRO O=C(C[N@@H+]1CCC[C@@H]1Cn1cccn1)c1c[nH]c2ncc(Br)cc12 ZINC000659897720 565229815 /nfs/dbraw/zinc/22/98/15/565229815.db2.gz OUDSZKITQPQJGQ-CYBMUJFWSA-N 1 0 388.269 2.869 20 0 GFADRO C[NH+](C)CCN(Cc1ccccc1)Cc1ccc(S(N)(=O)=O)c(Cl)c1 ZINC000639167872 565230613 /nfs/dbraw/zinc/23/06/13/565230613.db2.gz LREFWRIKHSYHMC-UHFFFAOYSA-N 1 0 381.929 2.551 20 0 GFADRO CO[C@@]1(C[NH2+][C@H](C)c2ccc(Br)cc2OCCCO)CCOC1 ZINC000639197682 565231797 /nfs/dbraw/zinc/23/17/97/565231797.db2.gz LEKOGKDJRIXLND-CXAGYDPISA-N 1 0 388.302 2.666 20 0 GFADRO O=C1N[C@@H]2CCCC[C@H]2C[C@H]1[NH+]1CCC(n2cc(Br)cn2)CC1 ZINC000659917295 565232137 /nfs/dbraw/zinc/23/21/37/565232137.db2.gz STRLVWPYUUUTRU-APHBMKBZSA-N 1 0 381.318 2.730 20 0 GFADRO O=C1N[C@@H]2CCCC[C@@H]2C[C@H]1[NH+]1CCC(n2cc(Br)cn2)CC1 ZINC000659917296 565232517 /nfs/dbraw/zinc/23/25/17/565232517.db2.gz STRLVWPYUUUTRU-DAXOMENPSA-N 1 0 381.318 2.730 20 0 GFADRO CCO[C@@H]1C[C@H]([NH2+]CCCS(=O)(=O)c2ccc(Cl)cc2)[C@]12CCCO2 ZINC000639213896 565233488 /nfs/dbraw/zinc/23/34/88/565233488.db2.gz PXDDYCXCNVWTHN-RCCFBDPRSA-N 1 0 387.929 2.820 20 0 GFADRO C[NH+](C)C[C@H]1CCCCN1S(=O)(=O)c1cc(F)ccc1Br ZINC000660008675 565237240 /nfs/dbraw/zinc/23/72/40/565237240.db2.gz FSFJPIBPIDZICP-GFCCVEGCSA-N 1 0 379.295 2.693 20 0 GFADRO COc1nsc(C[NH2+][C@H](CO)[C@H]2CCC[C@H](OC)C2)c1Br ZINC000639306732 565239665 /nfs/dbraw/zinc/23/96/65/565239665.db2.gz IFKUUEIWVBMFIB-GARJFASQSA-N 1 0 379.320 2.570 20 0 GFADRO CCC[N@@H+]1CC[C@H](NS(=O)(=O)c2cc(Cl)ccc2O[C@@H](C)COC)C1 ZINC000660026380 565240720 /nfs/dbraw/zinc/24/07/20/565240720.db2.gz FYOWGXBIZYWCNI-ZFWWWQNUSA-N 1 0 390.933 2.516 20 0 GFADRO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)c1cc2cc(Br)ccc2[nH]1 ZINC000617504059 565242851 /nfs/dbraw/zinc/24/28/51/565242851.db2.gz GMSZSRCHIDTONW-ZDUSSCGKSA-N 1 0 395.345 2.932 20 0 GFADRO COc1sc(C[NH+]2CCC(CCO)(CCO)CC2)cc1Br ZINC000639379405 565243611 /nfs/dbraw/zinc/24/36/11/565243611.db2.gz SVMVBVRNZNTKQB-UHFFFAOYSA-N 1 0 378.332 2.866 20 0 GFADRO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)c1cc(Br)cc(N(C)C)c1 ZINC000617507701 565244500 /nfs/dbraw/zinc/24/45/00/565244500.db2.gz GJDDTMVDMSVOBY-AWEZNQCLSA-N 1 0 399.377 2.517 20 0 GFADRO CCN(C(=O)c1cnn(-c2cccc(Br)c2)c1)[C@@H]1CC[N@H+](C)C1 ZINC000617555288 565245996 /nfs/dbraw/zinc/24/59/96/565245996.db2.gz TVICJJWBUFPLLE-MRXNPFEDSA-N 1 0 377.286 2.801 20 0 GFADRO CCN(C(=O)CSc1nncn1-c1cccc(Cl)c1)[C@H]1CC[N@H+](C)C1 ZINC000617558539 565246753 /nfs/dbraw/zinc/24/67/53/565246753.db2.gz DYPWTBNIXORTMU-HNNXBMFYSA-N 1 0 379.917 2.565 20 0 GFADRO C[N@H+](CCCO)C1CCN(C[C@@H](O)COc2cc(Cl)cc(Cl)c2)CC1 ZINC000639488638 565247967 /nfs/dbraw/zinc/24/79/67/565247967.db2.gz AEMCOTMXQCOJSB-QGZVFWFLSA-N 1 0 391.339 2.512 20 0 GFADRO CO[C@@H](C)c1noc(CN(C)C[C@H](O)COc2cc(Cl)cc(Cl)c2)n1 ZINC000639509940 565248714 /nfs/dbraw/zinc/24/87/14/565248714.db2.gz QSFSKIRTKIJLIC-GWCFXTLKSA-N 1 0 390.267 2.956 20 0 GFADRO Cc1cc(Br)oc1C(=O)NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000617699347 565252170 /nfs/dbraw/zinc/25/21/70/565252170.db2.gz KZPOHZDRCJPGRQ-HNNXBMFYSA-N 1 0 393.281 2.847 20 0 GFADRO COCC[N@@H+]1CCC[C@H](NC(=O)[C@@H](C)Oc2cc(Cl)cc(Cl)c2)C1 ZINC000592090086 565254458 /nfs/dbraw/zinc/25/44/58/565254458.db2.gz AWCNSLRZYRQEJX-DOMZBBRYSA-N 1 0 375.296 2.988 20 0 GFADRO COc1ncc(Br)cc1CN1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000660115990 565254909 /nfs/dbraw/zinc/25/49/09/565254909.db2.gz FXFUITCQZWINQA-BZUAXINKSA-N 1 0 384.318 2.536 20 0 GFADRO COCC[N@@H+]1CCC[C@H](NC(=O)C(C)(C)c2ccc(Br)cc2)C1 ZINC000592096524 565256047 /nfs/dbraw/zinc/25/60/47/565256047.db2.gz PSRCROPUPDWXGV-INIZCTEOSA-N 1 0 383.330 2.954 20 0 GFADRO C[C@@H](CCNC(=O)[C@@H]1CCCN1C(=O)c1ccc(Br)cc1)[NH+](C)C ZINC000617751360 565257186 /nfs/dbraw/zinc/25/71/86/565257186.db2.gz WLLADMHNPRXCGB-BBRMVZONSA-N 1 0 396.329 2.510 20 0 GFADRO O=c1cc([C@@H]2CC[N@@H+](Cc3nc4ccc(Br)cc4o3)C2)[nH]c(=O)[nH]1 ZINC000639715202 565257147 /nfs/dbraw/zinc/25/71/47/565257147.db2.gz ZMQPAPADFBKETQ-SECBINFHSA-N 1 0 391.225 2.781 20 0 GFADRO Cc1ccc(S(=O)(=O)N2CC3(CCCC3)OC[C@H]2C[NH+](C)C)c(Cl)c1 ZINC000660149109 565259868 /nfs/dbraw/zinc/25/98/68/565259868.db2.gz ACHDTQDGTBZKFL-OAHLLOKOSA-N 1 0 386.945 2.912 20 0 GFADRO Cc1ccc(Cl)c(S(=O)(=O)N2CC3(CCCC3)OC[C@@H]2C[NH+](C)C)c1 ZINC000660151528 565260753 /nfs/dbraw/zinc/26/07/53/565260753.db2.gz TYNIFYUGNHNAJL-HNNXBMFYSA-N 1 0 386.945 2.912 20 0 GFADRO CO[C@@H]1CCC[C@H]([C@H](CO)[NH2+]C[C@@H](O)COc2cc(Cl)cc(Cl)c2)C1 ZINC000639784573 565261369 /nfs/dbraw/zinc/26/13/69/565261369.db2.gz JEGYBGQGLDAUIU-UOQGXUADSA-N 1 0 392.323 2.889 20 0 GFADRO O=S(=O)(NC[C@@H]1CCC[N@H+](CC2CC2)C1)c1c[nH]c2nccc(Cl)c12 ZINC000660180178 565264124 /nfs/dbraw/zinc/26/41/24/565264124.db2.gz QONKKOAHQKQOEY-ZDUSSCGKSA-N 1 0 382.917 2.617 20 0 GFADRO CCN(C(=O)c1c(C)nc2ccc(Br)cn21)[C@@H]1CC[N@H+](CC)C1 ZINC000617925581 565267918 /nfs/dbraw/zinc/26/79/18/565267918.db2.gz OSNOMHXXYQXDDN-CQSZACIVSA-N 1 0 379.302 2.962 20 0 GFADRO C[N@@H+](Cc1ccc(Br)cc1F)C[C@H](O)COC1CCOCC1 ZINC000639921128 565268825 /nfs/dbraw/zinc/26/88/25/565268825.db2.gz JZNSLRHWSRQIFD-AWEZNQCLSA-N 1 0 376.266 2.577 20 0 GFADRO COc1ncc(Br)cc1C[NH2+][C@H]1CCCC[C@H]1N1CCOCC1 ZINC000660386840 565273176 /nfs/dbraw/zinc/27/31/76/565273176.db2.gz DOQOIMHUJAKOTL-JKSUJKDBSA-N 1 0 384.318 2.586 20 0 GFADRO O=C1C[C@H](C[N@H+]2CCC[C@@H]2c2nc(-c3ccccc3Br)no2)CN1 ZINC000660382754 565273236 /nfs/dbraw/zinc/27/32/36/565273236.db2.gz UPPPQLDSPBEQGI-SMDDNHRTSA-N 1 0 391.269 2.772 20 0 GFADRO O=C(CCc1ccc(Br)cc1F)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000592405126 565274333 /nfs/dbraw/zinc/27/43/33/565274333.db2.gz BCOFRVADAMFMMM-DLBZAZTESA-N 1 0 399.304 2.578 20 0 GFADRO O=C(N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)C1(c2cccc(Br)c2)CC1 ZINC000592407209 565275291 /nfs/dbraw/zinc/27/52/91/565275291.db2.gz CADYQTWBWPBWLO-IRXDYDNUSA-N 1 0 393.325 2.538 20 0 GFADRO COC(=O)CC[N@H+](Cc1ccc(N)nc1)Cc1cccc(Br)c1 ZINC000592432654 565276624 /nfs/dbraw/zinc/27/66/24/565276624.db2.gz IGCAXUXETSONEE-UHFFFAOYSA-N 1 0 378.270 2.992 20 0 GFADRO Cc1ccc(C[N@H+](C[C@H]2CNC(=O)C2)C[C@@H]2CCCO2)c(Br)c1 ZINC000660463380 565277694 /nfs/dbraw/zinc/27/76/94/565277694.db2.gz BTOKZRFNOQXDQU-ZBFHGGJFSA-N 1 0 381.314 2.875 20 0 GFADRO CC(=O)NCCN(CCO[C@@H]1CC1(F)F)Cc1ccc(Br)s1 ZINC000660484376 565277717 /nfs/dbraw/zinc/27/77/17/565277717.db2.gz FXKKPVUKCSTPRS-GFCCVEGCSA-N 1 0 397.285 2.873 20 0 GFADRO [NH3+]C[C@H]1CCCn2ncc(C(=O)Nc3cccc(I)c3)c21 ZINC000592476453 565278858 /nfs/dbraw/zinc/27/88/58/565278858.db2.gz VGDDBKTXURVZAZ-SNVBAGLBSA-N 1 0 396.232 2.576 20 0 GFADRO CN(Cc1ccc(Br)cc1)C(=O)c1cnn2c1[C@H](C[NH3+])CCC2 ZINC000592478162 565278926 /nfs/dbraw/zinc/27/89/26/565278926.db2.gz DTWNLTHUBSIQCI-ZDUSSCGKSA-N 1 0 377.286 2.754 20 0 GFADRO CCOC(=O)COc1c(Br)cc(C)cc1C[NH2+][C@@H]1CO[C@@H](C)C1 ZINC000592526701 565280755 /nfs/dbraw/zinc/28/07/55/565280755.db2.gz JJSLYEAXKMFXTB-JSGCOSHPSA-N 1 0 386.286 2.966 20 0 GFADRO C[C@H](Cc1ccccc1Br)NC(=O)c1cnn2c1[C@H](C[NH3+])CCC2 ZINC000592539310 565281032 /nfs/dbraw/zinc/28/10/32/565281032.db2.gz LIPXGOMXNKMQPX-OCCSQVGLSA-N 1 0 391.313 2.843 20 0 GFADRO Cc1nn(C)c(NC(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)c1Br ZINC000640162531 565282041 /nfs/dbraw/zinc/28/20/41/565282041.db2.gz QUINAWFSRQCCPJ-AWEZNQCLSA-N 1 0 394.317 2.785 20 0 GFADRO COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)CCCOc1ccc(Cl)cc1Cl ZINC000592548060 565282288 /nfs/dbraw/zinc/28/22/88/565282288.db2.gz LUAOZPNWNSFTLY-AWEZNQCLSA-N 1 0 389.279 2.516 20 0 GFADRO C[N@@H+]1CC[C@@]2(CCN(CC(=O)c3c[nH]c4ncc(Br)cc34)C2)C1 ZINC000660614807 565285464 /nfs/dbraw/zinc/28/54/64/565285464.db2.gz ARYHBWUEALVSQZ-QGZVFWFLSA-N 1 0 377.286 2.536 20 0 GFADRO COC(=O)C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)c1cccc(Br)c1 ZINC000592754825 565292962 /nfs/dbraw/zinc/29/29/62/565292962.db2.gz NKTBQKFQIMTWFJ-KCPJHIHWSA-N 1 0 383.286 2.510 20 0 GFADRO CC(C)C[NH+]1CCC(NC(=O)Nc2nn(CC(F)(F)F)cc2Cl)CC1 ZINC000640293167 565294245 /nfs/dbraw/zinc/29/42/45/565294245.db2.gz TVCIRBVNUYIRJG-UHFFFAOYSA-N 1 0 381.830 3.341 20 0 GFADRO CC(C)(C)[N@@H+]1CCCN(C(=O)Nc2nn(CC(F)(F)F)cc2Cl)CC1 ZINC000640292529 565294371 /nfs/dbraw/zinc/29/43/71/565294371.db2.gz MFPFDXZQEOBIOH-UHFFFAOYSA-N 1 0 381.830 3.437 20 0 GFADRO [NH3+][C@H](CNC(=O)N1CCc2[nH]c3c(cccc3Br)c2C1)C1CC1 ZINC000640293839 565294994 /nfs/dbraw/zinc/29/49/94/565294994.db2.gz BLMYGHDTQJMOBG-CQSZACIVSA-N 1 0 377.286 2.735 20 0 GFADRO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)N1CCOc2cc(Br)ccc2C1 ZINC000660827594 565295175 /nfs/dbraw/zinc/29/51/75/565295175.db2.gz QOIWLJQOZPBHFN-CYBMUJFWSA-N 1 0 394.313 2.837 20 0 GFADRO C[N@H+](CC(=O)N1CCOC[C@@H]1c1ccc(Br)cc1)[C@H]1CCSC1 ZINC000618365009 565295677 /nfs/dbraw/zinc/29/56/77/565295677.db2.gz SWMPXBOZWKEEMV-JKSUJKDBSA-N 1 0 399.354 2.786 20 0 GFADRO C[C@H]1C[C@H](NC(=O)N2CCN(c3ccc(Br)cc3)CC2)CC[N@@H+]1C ZINC000660858812 565297249 /nfs/dbraw/zinc/29/72/49/565297249.db2.gz QQWKCQGUVKTRSD-GOEBONIOSA-N 1 0 395.345 2.763 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)NCCOc2ncc(Cl)cc2Cl)C1 ZINC000660904225 565298727 /nfs/dbraw/zinc/29/87/27/565298727.db2.gz MKTWTSDXDQLKIQ-GFCCVEGCSA-N 1 0 375.300 2.939 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)NCCOc2ncc(Cl)cc2Cl)C1 ZINC000660904226 565299236 /nfs/dbraw/zinc/29/92/36/565299236.db2.gz MKTWTSDXDQLKIQ-LBPRGKRZSA-N 1 0 375.300 2.939 20 0 GFADRO C[N@@H+]1CC[C@H](CNC(=O)NCCOCCF)[C@H]1c1ccc(Cl)c(F)c1 ZINC000660966139 565300067 /nfs/dbraw/zinc/30/00/67/565300067.db2.gz NCCDASJUVAJUSB-CZUORRHYSA-N 1 0 375.847 2.757 20 0 GFADRO COC[C@@](C)(CCO)[NH2+]Cc1cc(Cl)ccc1I ZINC000593014861 565307108 /nfs/dbraw/zinc/30/71/08/565307108.db2.gz HGIWRHBKZBDRQO-CYBMUJFWSA-N 1 0 383.657 2.822 20 0 GFADRO COC[C@](C)(CCO)[NH2+]Cc1cc(Cl)ccc1I ZINC000593014862 565307513 /nfs/dbraw/zinc/30/75/13/565307513.db2.gz HGIWRHBKZBDRQO-ZDUSSCGKSA-N 1 0 383.657 2.822 20 0 GFADRO Clc1ccc(-n2cc(CN3CC[C@H](Cn4ccnn4)C3)nn2)cc1Cl ZINC000661146116 565309576 /nfs/dbraw/zinc/30/95/76/565309576.db2.gz QRXUHYPSCFNKPL-LBPRGKRZSA-N 1 0 378.267 2.688 20 0 GFADRO Cc1[nH]c(=O)c(Br)cc1C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000618669604 565310773 /nfs/dbraw/zinc/31/07/73/565310773.db2.gz JOFOBSFWSHISIX-LBPRGKRZSA-N 1 0 382.302 2.995 20 0 GFADRO COC(=O)c1ccc(C[NH+]2CCC(Cn3cnnc3)CC2)c(Br)c1 ZINC000593078417 565311657 /nfs/dbraw/zinc/31/16/57/565311657.db2.gz YSLLLTAKWWQUFP-UHFFFAOYSA-N 1 0 393.285 2.739 20 0 GFADRO CO[C@@H]1CCC[C@H]([C@@H](CO)[NH2+]CC(=O)Nc2ccc(Br)cc2)C1 ZINC000661216947 565313962 /nfs/dbraw/zinc/31/39/62/565313962.db2.gz IEFQRSXXGBUYNZ-APHBMKBZSA-N 1 0 385.302 2.543 20 0 GFADRO CO[C@@H]1CCC[C@H]([C@@H](CO)[NH2+]Cc2cn3cc(Br)ccc3n2)C1 ZINC000661217298 565314583 /nfs/dbraw/zinc/31/45/83/565314583.db2.gz HYSXWWLGUYGIIL-APHBMKBZSA-N 1 0 382.302 2.753 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)NCc1cc2c(c(Br)c1)OCO2 ZINC000661398748 565322283 /nfs/dbraw/zinc/32/22/83/565322283.db2.gz OTUGNTCQTTVVDC-LBPRGKRZSA-N 1 0 398.301 2.850 20 0 GFADRO C[C@H](CO)[C@H]1CCCC[N@@H+]1CC(=O)N(C)Cc1ccccc1Br ZINC000661430970 565324031 /nfs/dbraw/zinc/32/40/31/565324031.db2.gz AMMVITXLVQTWEQ-RHSMWYFYSA-N 1 0 383.330 2.890 20 0 GFADRO C[C@H](NC(=O)Cn1cc([C@H]2CCC[NH2+]C2)nn1)c1ccc(Cl)cc1Cl ZINC000640838038 565330415 /nfs/dbraw/zinc/33/04/15/565330415.db2.gz ANEQDVRHVPYYOF-RYUDHWBXSA-N 1 0 382.295 2.929 20 0 GFADRO COc1cc(Br)ccc1CCC[N@@H+]1CC[C@@H]2NC(=O)CC[C@@H]2C1 ZINC000661599820 565330592 /nfs/dbraw/zinc/33/05/92/565330592.db2.gz FJHFDYZOLOFCHM-ZBFHGGJFSA-N 1 0 381.314 2.991 20 0 GFADRO C[C@H](NC(=O)C[N@@H+]1CC[C@H]2NC(=O)CC[C@@H]2C1)c1ccc(Cl)cc1Cl ZINC000661596549 565330664 /nfs/dbraw/zinc/33/06/64/565330664.db2.gz DIPNCQFTZOATOM-HWWQOWPSSA-N 1 0 384.307 2.771 20 0 GFADRO C[NH+](C)C1CCN(c2ncnc3cc(I)sc32)CC1 ZINC000593459152 565332512 /nfs/dbraw/zinc/33/25/12/565332512.db2.gz YCANSTBUPLXAST-UHFFFAOYSA-N 1 0 388.278 2.826 20 0 GFADRO Ic1cc2ncnc(N3CC[C@@H]([NH+]4CC=CC4)C3)c2s1 ZINC000593464635 565333604 /nfs/dbraw/zinc/33/36/04/565333604.db2.gz KDBNOSBQQZPONQ-SNVBAGLBSA-N 1 0 398.273 2.746 20 0 GFADRO C[C@@H](C(=O)Nc1cccc(Br)c1)n1cc(C[C@@H]2CCC[NH2+]C2)nn1 ZINC000640880444 565334131 /nfs/dbraw/zinc/33/41/31/565334131.db2.gz KFJZSUOVFJFDJQ-STQMWFEESA-N 1 0 392.301 2.782 20 0 GFADRO C[C@H](C(=O)Nc1cccc(Br)c1)n1cc(C[C@H]2CCC[NH2+]C2)nn1 ZINC000640880439 565334271 /nfs/dbraw/zinc/33/42/71/565334271.db2.gz KFJZSUOVFJFDJQ-CHWSQXEVSA-N 1 0 392.301 2.782 20 0 GFADRO C[C@]12COC[C@@H]1C[N@H+](C[C@H](O)COc1ccc(Cl)cc1Br)C2 ZINC000661703149 565335213 /nfs/dbraw/zinc/33/52/13/565335213.db2.gz IMJAYLAQQKWGQR-RBOXIYTFSA-N 1 0 390.705 2.811 20 0 GFADRO C[NH2+][C@@H](C)c1cn([C@@H](C)C(=O)N(C)Cc2ccc(Br)cc2)nn1 ZINC000640924306 565337326 /nfs/dbraw/zinc/33/73/26/565337326.db2.gz AINLRLPMLAFPKI-RYUDHWBXSA-N 1 0 380.290 2.541 20 0 GFADRO CC[C@H]([NH3+])c1cn([C@H](C)C(=O)N(C)Cc2ccc(Br)cc2)nn1 ZINC000640926678 565337426 /nfs/dbraw/zinc/33/74/26/565337426.db2.gz RPWTYHLXJZFCNB-RISCZKNCSA-N 1 0 380.290 2.670 20 0 GFADRO C[NH2+][C@H](C)c1cn([C@@H](C)C(=O)N(C)Cc2ccc(Br)cc2)nn1 ZINC000640924304 565337802 /nfs/dbraw/zinc/33/78/02/565337802.db2.gz AINLRLPMLAFPKI-NEPJUHHUSA-N 1 0 380.290 2.541 20 0 GFADRO CCCCCOc1ccc(Br)cc1Cn1cc(C[C@@H]([NH3+])CO)nn1 ZINC000641029800 565342219 /nfs/dbraw/zinc/34/22/19/565342219.db2.gz KDHQLYQXFGNGKX-OAHLLOKOSA-N 1 0 397.317 2.520 20 0 GFADRO C[C@H](c1ccc(Br)cc1)n1cc(CCN2CCC([NH3+])CC2)nn1 ZINC000641042189 565343730 /nfs/dbraw/zinc/34/37/30/565343730.db2.gz AHWKIISKSWMMLI-CYBMUJFWSA-N 1 0 378.318 2.616 20 0 GFADRO O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)N1Cc2cccc(Br)c2C1 ZINC000661984580 565343935 /nfs/dbraw/zinc/34/39/35/565343935.db2.gz MJCQHQSDUMLNLA-HNNXBMFYSA-N 1 0 394.313 2.728 20 0 GFADRO [NH3+][C@H](c1cn(Cc2cc(Br)cc(F)c2F)nn1)C1CCOCC1 ZINC000641119817 565347301 /nfs/dbraw/zinc/34/73/01/565347301.db2.gz XYGHWEDFGMWQEB-HNNXBMFYSA-N 1 0 387.228 2.794 20 0 GFADRO O[C@@H](COc1ccc(Cl)cc1Br)C[N@@H+]1CCC2(COC2)C1 ZINC000662075501 565348525 /nfs/dbraw/zinc/34/85/25/565348525.db2.gz AUJKHVFDWCEPJN-GFCCVEGCSA-N 1 0 376.678 2.565 20 0 GFADRO [NH3+][C@H](Cc1cn(Cc2ncc(Br)s2)nn1)Cc1ccccc1 ZINC000641145997 565350030 /nfs/dbraw/zinc/35/00/30/565350030.db2.gz KSZOXLIHQJANPA-LBPRGKRZSA-N 1 0 378.299 2.658 20 0 GFADRO C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000662153437 565351047 /nfs/dbraw/zinc/35/10/47/565351047.db2.gz BJWAJBJEAMXYDW-IUODEOHRSA-N 1 0 386.323 2.851 20 0 GFADRO CC[C@H]([NH2+][C@@H](C)C(=O)NCCF)c1ccc(I)cc1 ZINC000619724521 565356529 /nfs/dbraw/zinc/35/65/29/565356529.db2.gz DPAYPPGZOCQSTR-GWCFXTLKSA-N 1 0 378.229 2.806 20 0 GFADRO Cc1nc(-c2ccc(C[NH2+]C[C@@H](O)CN3C[C@@H](C)O[C@@H](C)C3)s2)cs1 ZINC000619741062 565357479 /nfs/dbraw/zinc/35/74/79/565357479.db2.gz NFAHKIVGMBMASG-VNHYZAJKSA-N 1 0 381.567 2.740 20 0 GFADRO CC[C@@H](c1ccc(Br)cc1)N1CCN(C[C@H]2C[NH2+]CCO2)CC1 ZINC000662262231 565358363 /nfs/dbraw/zinc/35/83/63/565358363.db2.gz UJCYJJHVMZHGLN-MSOLQXFVSA-N 1 0 382.346 2.506 20 0 GFADRO C[C@@H]([NH2+]CC[C@@]1(O)CCOC1)c1ccc(F)c(I)c1 ZINC000593725306 565358674 /nfs/dbraw/zinc/35/86/74/565358674.db2.gz XUIVRUKICSJWIO-QMTHXVAHSA-N 1 0 379.213 2.622 20 0 GFADRO [NH3+][C@@H](Cc1ccccc1)[C@@H](O)CN1CCOc2cc(Br)ccc2C1 ZINC000662322483 565360278 /nfs/dbraw/zinc/36/02/78/565360278.db2.gz MNBVYKJXZGHDEV-ROUUACIJSA-N 1 0 391.309 2.574 20 0 GFADRO CN(CC(=O)Nc1ccc(OC(F)F)c(Cl)c1)[C@@H](C[NH3+])C(F)(F)F ZINC000662328644 565360340 /nfs/dbraw/zinc/36/03/40/565360340.db2.gz CVQINXCBPOBPEV-JTQLQIEISA-N 1 0 375.725 2.701 20 0 GFADRO Brc1cc2c(cc1Br)CN(C[C@H]1C[NH2+]CCO1)CC2 ZINC000662314725 565360746 /nfs/dbraw/zinc/36/07/46/565360746.db2.gz BICPJZMHRQWGSL-GFCCVEGCSA-N 1 0 390.119 2.558 20 0 GFADRO O=C(c1cc(Br)cc2c1OCCO2)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000662340802 565361362 /nfs/dbraw/zinc/36/13/62/565361362.db2.gz JMHLKUABIUZHAW-HNNXBMFYSA-N 1 0 395.297 2.825 20 0 GFADRO COc1cc(CS(=O)(=O)NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)sn1 ZINC000641316687 565361574 /nfs/dbraw/zinc/36/15/74/565361574.db2.gz QSXDDOZJHDGQRC-ZDUSSCGKSA-N 1 0 383.539 2.701 20 0 GFADRO COc1ccc(Br)cc1CN(C)C(=O)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC000662342733 565361769 /nfs/dbraw/zinc/36/17/69/565361769.db2.gz FMCSGGBRLZCWFF-LLVKDONJSA-N 1 0 393.285 2.530 20 0 GFADRO CCS(=O)(=O)Nc1ccc(NC(=O)c2cc3c(s2)CC[NH2+]C3)cc1C ZINC000662396165 565364800 /nfs/dbraw/zinc/36/48/00/565364800.db2.gz TZPPCXHLKNGYJV-UHFFFAOYSA-N 1 0 379.507 2.716 20 0 GFADRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@H](N)c1ccccc1Br ZINC000662405981 565365775 /nfs/dbraw/zinc/36/57/75/565365775.db2.gz BSHVEPIAWFZQTD-UMPJEAMMSA-N 1 0 382.346 2.932 20 0 GFADRO [NH3+]C[C@H](NC(=O)[C@@H]1CCO[C@H]1c1cncc(Br)c1)C1CCCCC1 ZINC000662417792 565366273 /nfs/dbraw/zinc/36/62/73/565366273.db2.gz MSAFKCZUCWEUBA-IKGGRYGDSA-N 1 0 396.329 2.946 20 0 GFADRO [NH3+]C[C@]12CCC[C@H]1CN(C(=O)c1c(F)cccc1I)C2 ZINC000593914053 565367183 /nfs/dbraw/zinc/36/71/83/565367183.db2.gz FXFIJXMCTWPUOZ-BONVTDFDSA-N 1 0 388.224 2.631 20 0 GFADRO [NH3+]C[C@@H]1OCC[C@H]1C(=O)Nc1nc(-c2cccc(Br)c2)cs1 ZINC000662436451 565367871 /nfs/dbraw/zinc/36/78/71/565367871.db2.gz AHRNHYKRNXFOML-YPMHNXCESA-N 1 0 382.283 2.875 20 0 GFADRO O=C(c1cn([C@@H]2CCC[NH2+]CC2)nn1)N1CCc2cc(Br)ccc21 ZINC000662468304 565369811 /nfs/dbraw/zinc/36/98/11/565369811.db2.gz CFJYUSPMEYRHKI-CQSZACIVSA-N 1 0 390.285 2.558 20 0 GFADRO N[C@@H](C(=O)N1CCC[N@@H+](C2CCCC2)CC1)c1ccccc1Br ZINC000662468565 565370073 /nfs/dbraw/zinc/37/00/73/565370073.db2.gz POUPOSRPUUWBMR-QGZVFWFLSA-N 1 0 380.330 2.926 20 0 GFADRO O=C(NCCCc1ccc(Br)cc1F)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC000662465757 565370397 /nfs/dbraw/zinc/37/03/97/565370397.db2.gz RYDHXCXYXZIBLQ-GFCCVEGCSA-N 1 0 395.276 2.751 20 0 GFADRO N[C@H](C(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1)c1ccccc1Br ZINC000662477972 565371628 /nfs/dbraw/zinc/37/16/28/565371628.db2.gz KOHCBDPKHVJSRJ-YOEHRIQHSA-N 1 0 380.330 2.783 20 0 GFADRO O=C(c1cc(Br)cc(N2CCCC2)c1)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000662518924 565374089 /nfs/dbraw/zinc/37/40/89/565374089.db2.gz MCBPBXZAZJIEKJ-GUYCJALGSA-N 1 0 378.314 2.873 20 0 GFADRO COc1cnc(N2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c(Br)c1 ZINC000641464456 565374451 /nfs/dbraw/zinc/37/44/51/565374451.db2.gz RRBVTNBCOQTUFI-YIONKMFJSA-N 1 0 395.345 2.600 20 0 GFADRO O=C(c1sc2c(c1Br)CNC2)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000662522118 565374662 /nfs/dbraw/zinc/37/46/62/565374662.db2.gz KDGMFVJTWMVLOT-RYUDHWBXSA-N 1 0 398.370 2.966 20 0 GFADRO COCC[N@@H+]1CCCN(C(=O)[C@@H](C)Oc2cccc(Cl)c2Cl)CC1 ZINC000620244884 565376953 /nfs/dbraw/zinc/37/69/53/565376953.db2.gz OAXKBVUUTGVHEL-CYBMUJFWSA-N 1 0 375.296 2.941 20 0 GFADRO COc1ccc(NC(=O)c2cn([C@@H]3CCC[NH2+]CC3)nn2)c(Br)c1 ZINC000662561977 565377419 /nfs/dbraw/zinc/37/74/19/565377419.db2.gz URMWBGGRYWDHQS-LLVKDONJSA-N 1 0 394.273 2.616 20 0 GFADRO [NH3+]C[C@@H]1OCC[C@H]1C(=O)Nc1cc(-c2cc(Br)ccc2Cl)[nH]n1 ZINC000662556001 565377448 /nfs/dbraw/zinc/37/74/48/565377448.db2.gz ZOWHSQVSZDGYPY-RNCFNFMXSA-N 1 0 399.676 2.795 20 0 GFADRO C[C@H](CC(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1)n1cc(Br)cn1 ZINC000662588173 565378526 /nfs/dbraw/zinc/37/85/26/565378526.db2.gz RHECGYDCVPMUOA-HIFRSBDPSA-N 1 0 383.334 2.835 20 0 GFADRO CSC1(CNC(=O)N[C@@H](C[C@H]2CCCO2)C(F)(F)F)CC[NH+](C)CC1 ZINC000594177190 565378595 /nfs/dbraw/zinc/37/85/95/565378595.db2.gz YYGQEIHTPURAMH-OLZOCXBDSA-N 1 0 383.480 2.613 20 0 GFADRO C[C@H](CNC(=O)[C@@]1(C(F)(F)F)CC[NH2+]C1)Oc1cccc(Br)c1 ZINC000662633034 565379195 /nfs/dbraw/zinc/37/91/95/565379195.db2.gz XIDSGKMQCBGWRC-QMTHXVAHSA-N 1 0 395.219 2.875 20 0 GFADRO CC(C)[NH+]1CCC(NC(=O)Cn2oc3cc(Cl)c(Cl)cc3c2=O)CC1 ZINC000641546966 565381826 /nfs/dbraw/zinc/38/18/26/565381826.db2.gz XEYFZDNQQZXSGQ-UHFFFAOYSA-N 1 0 386.279 2.890 20 0 GFADRO O=C(Cn1oc2cc(Cl)c(Cl)cc2c1=O)NC1CC[NH+](C2CC2)CC1 ZINC000641545883 565381897 /nfs/dbraw/zinc/38/18/97/565381897.db2.gz KGVBKYLJHZOCKC-UHFFFAOYSA-N 1 0 384.263 2.644 20 0 GFADRO CCc1c(C(=O)NCC23CC(C2)C[NH2+]3)cnn1-c1ccc(Br)cc1 ZINC000662720889 565382926 /nfs/dbraw/zinc/38/29/26/565382926.db2.gz FWSWTWCKLGWCKE-UHFFFAOYSA-N 1 0 389.297 2.679 20 0 GFADRO CC[C@@H](Cc1ccc(Br)cc1)NC(=O)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O ZINC000662733631 565383170 /nfs/dbraw/zinc/38/31/70/565383170.db2.gz UQBMKIZOPRFTPR-BTFYYFJDSA-N 1 0 393.325 2.701 20 0 GFADRO CC(C)(C)n1cc(Br)c(C(=O)Nc2cnc3c(c2)C[C@@H]([NH3+])CC3)n1 ZINC000662763402 565384282 /nfs/dbraw/zinc/38/42/82/565384282.db2.gz AIUAJJVIRCCMOG-NSHDSACASA-N 1 0 392.301 2.864 20 0 GFADRO O=C(Nc1cc(F)c(I)c(F)c1)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000594436144 565385254 /nfs/dbraw/zinc/38/52/54/565385254.db2.gz IDLILNXGVIBHEI-XPTSAGLGSA-N 1 0 392.187 2.898 20 0 GFADRO O=C(c1sc2c(c1Br)CNC2)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000662813469 565385924 /nfs/dbraw/zinc/38/59/24/565385924.db2.gz NENLKSHYZUOULM-PWSUYJOCSA-N 1 0 384.343 2.718 20 0 GFADRO Cc1nc(-c2cccs2)sc1C(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000620490826 565386446 /nfs/dbraw/zinc/38/64/46/565386446.db2.gz LBDQPOLLEPYQDP-AWEZNQCLSA-N 1 0 377.535 2.851 20 0 GFADRO [NH3+]CC12CCC(CC1)CN2C(=O)[C@@H]1CCO[C@H]1c1cncc(Br)c1 ZINC000662826623 565387348 /nfs/dbraw/zinc/38/73/48/565387348.db2.gz JYNYJJKREXZIQT-NJYZYOCVSA-N 1 0 394.313 2.652 20 0 GFADRO Cc1c(C[NH3+])c(NC(=O)c2ccc(Br)c(OC(C)C)c2)nn1C ZINC000662836292 565387467 /nfs/dbraw/zinc/38/74/67/565387467.db2.gz YFIWIHYLWBBNGC-UHFFFAOYSA-N 1 0 381.274 2.989 20 0 GFADRO CCO[C@@H]1CN(C(=O)c2cc3c(ccc(Br)c3C)[nH]2)C[C@H]1C[NH3+] ZINC000662830418 565387610 /nfs/dbraw/zinc/38/76/10/565387610.db2.gz RVRQPJXUAGPOGP-BDJLRTHQSA-N 1 0 380.286 2.675 20 0 GFADRO C[C@@H]1[C@@H](c2ccc(Br)cc2)OCCN1C(=O)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000662859644 565388464 /nfs/dbraw/zinc/38/84/64/565388464.db2.gz QRPMUKWEAKCMHG-JHMUCCBASA-N 1 0 379.298 2.737 20 0 GFADRO O=C(N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1)c1cc(Cl)sc1Cl ZINC000641666392 565391824 /nfs/dbraw/zinc/39/18/24/565391824.db2.gz XAHOXYKWAXCJFO-GFCCVEGCSA-N 1 0 392.352 2.581 20 0 GFADRO C[C@@H]1OCC[C@]1(O)C[NH2+]Cc1cc(Br)sc1Br ZINC000641750778 565397523 /nfs/dbraw/zinc/39/75/23/565397523.db2.gz NDCWTYKTWWQQEZ-CPCISQLKSA-N 1 0 385.121 2.903 20 0 GFADRO C[C@@H]([NH2+][C@@H]1CCc2c(nnn2C)C1)c1ccccc1I ZINC000594523183 565398035 /nfs/dbraw/zinc/39/80/35/565398035.db2.gz WPKLIMVUAWHELB-GHMZBOCLSA-N 1 0 382.249 2.628 20 0 GFADRO O[C@]1(CC[NH2+]Cc2cc(Br)sc2Br)CCOC1 ZINC000641769605 565398121 /nfs/dbraw/zinc/39/81/21/565398121.db2.gz VYFRSFMTMHSFTF-LLVKDONJSA-N 1 0 385.121 2.904 20 0 GFADRO CC[C@@H]1CN(C(=O)CCNC(=O)Nc2ccc(Br)cc2)C[C@H](C)[NH2+]1 ZINC000620904563 565400741 /nfs/dbraw/zinc/40/07/41/565400741.db2.gz QSCPJNLNDMBJFD-GXTWGEPZSA-N 1 0 397.317 2.560 20 0 GFADRO C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000594642125 565402816 /nfs/dbraw/zinc/40/28/16/565402816.db2.gz KSXJHXMKRBTDCN-DGCLKSJQSA-N 1 0 384.307 2.712 20 0 GFADRO C[NH+](C)CCC[C@@H]1CN(C(=O)Cc2ccc(Br)c(F)c2)CCO1 ZINC000620971414 565403080 /nfs/dbraw/zinc/40/30/80/565403080.db2.gz IJOXLPNZGWLMBP-CQSZACIVSA-N 1 0 387.293 2.700 20 0 GFADRO C[C@@H](Oc1cccc(Br)c1)C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000620969442 565403315 /nfs/dbraw/zinc/40/33/15/565403315.db2.gz BHBRIKFLSGPJRD-PBHICJAKSA-N 1 0 399.329 2.786 20 0 GFADRO C[NH+](C)CCC[C@H]1CN(C(=O)CCc2ccccc2Br)CCO1 ZINC000620968537 565403596 /nfs/dbraw/zinc/40/35/96/565403596.db2.gz VVLGUPSPOSAARC-INIZCTEOSA-N 1 0 383.330 2.951 20 0 GFADRO O=C(N[C@H]1CC[N@H+](CC2CC2)C1)C1=Cc2cc(Br)ccc2OC1 ZINC000594642052 565403570 /nfs/dbraw/zinc/40/35/70/565403570.db2.gz YHAWCLIMMKHDJG-INIZCTEOSA-N 1 0 377.282 2.825 20 0 GFADRO C[C@H](NC(=O)C(=O)N[C@@H]1CCC[NH2+]CC1)c1cc(F)c(Cl)cc1Cl ZINC000642096176 565405668 /nfs/dbraw/zinc/40/56/68/565405668.db2.gz LECRRVPNNPOIIS-VHSXEESVSA-N 1 0 376.259 2.568 20 0 GFADRO CC(C)[C@H]1CN(C(=O)c2ncc(Br)cc2Br)CC[NH2+]1 ZINC000621157162 565408653 /nfs/dbraw/zinc/40/86/53/565408653.db2.gz PZOVOPJEXKIEOM-LLVKDONJSA-N 1 0 391.107 2.677 20 0 GFADRO CC[C@H]1CN(C(=O)C(=O)NCCCc2ccc(Cl)cc2Cl)CC[C@H]1[NH3+] ZINC000642351379 565411726 /nfs/dbraw/zinc/41/17/26/565411726.db2.gz MZMOSUXXXLYIQO-BLLLJJGKSA-N 1 0 386.323 2.628 20 0 GFADRO COc1cc(C[N@@H+]2CC[C@]3(C2)C(=O)Nc2ccccc23)c(Br)cn1 ZINC000621281057 565414572 /nfs/dbraw/zinc/41/45/72/565414572.db2.gz PGACZFXOFCJBAV-GOSISDBHSA-N 1 0 388.265 2.949 20 0 GFADRO CCCN1CC[C@@H]([NH2+]C[C@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000663363953 565414774 /nfs/dbraw/zinc/41/47/74/565414774.db2.gz DJEGEPXYZWLXGN-KGLIPLIRSA-N 1 0 391.737 2.916 20 0 GFADRO O[C@@H](C[NH2+]C1CCN([C@@H]2CCOC2)CC1)COc1ccc(Cl)c(Cl)c1 ZINC000663363324 565414911 /nfs/dbraw/zinc/41/49/11/565414911.db2.gz JEXMQVGINZKUDN-CABCVRRESA-N 1 0 389.323 2.576 20 0 GFADRO Brc1cnnc(NCCC[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000663385266 565416131 /nfs/dbraw/zinc/41/61/31/565416131.db2.gz WUUOESPVYOMCLI-UHFFFAOYSA-N 1 0 376.302 2.863 20 0 GFADRO CNS(=O)(=O)CCN[C@@H](Cc1ccccc1)c1nc2ccccc2s1 ZINC000621299442 565416996 /nfs/dbraw/zinc/41/69/96/565416996.db2.gz CXHYELXEIYCMBX-INIZCTEOSA-N 1 0 375.519 2.719 20 0 GFADRO CC[C@@H]1CN(C(=O)C(=O)N[C@@H](C)Cc2ccc(Cl)cc2Cl)CC[C@@H]1[NH3+] ZINC000642711588 565417401 /nfs/dbraw/zinc/41/74/01/565417401.db2.gz ANXYVDMGPCANRD-OZVIIMIRSA-N 1 0 386.323 2.626 20 0 GFADRO O=C(NC[C@H]1CCCC[NH2+]1)C(=O)N(Cc1ccc(Cl)c(Cl)c1)C1CC1 ZINC000642906282 565418541 /nfs/dbraw/zinc/41/85/41/565418541.db2.gz FAQQKEXSVSMWSY-CYBMUJFWSA-N 1 0 384.307 2.743 20 0 GFADRO CN(Cc1ccc(Cl)s1)C(=O)CN1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000643083069 565421190 /nfs/dbraw/zinc/42/11/90/565421190.db2.gz QABIMLNVDYDQMR-GDBMZVCRSA-N 1 0 385.961 2.578 20 0 GFADRO C[NH+](C)CCN(Cc1ccccc1)C(=O)c1cc(Br)c[nH]c1=O ZINC000621411298 565424511 /nfs/dbraw/zinc/42/45/11/565424511.db2.gz KRKGMBLWHFMVKX-UHFFFAOYSA-N 1 0 378.270 2.754 20 0 GFADRO C[C@H](C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1)c1cccc(Br)c1 ZINC000643209312 565424577 /nfs/dbraw/zinc/42/45/77/565424577.db2.gz LHEHGZVARGZMRN-YJBOKZPZSA-N 1 0 394.357 2.791 20 0 GFADRO O=C(CC[C@H]1CCC[NH2+]C1)NC[C@@H](O)COc1cccc(Cl)c1Cl ZINC000621629650 565433168 /nfs/dbraw/zinc/43/31/68/565433168.db2.gz GNPGSCGDFMMVGK-CHWSQXEVSA-N 1 0 375.296 2.629 20 0 GFADRO O=C(c1cc2c(cc1Br)OCO2)N1CCC2(CC[NH2+]CC2)CC1 ZINC000621655056 565434735 /nfs/dbraw/zinc/43/47/35/565434735.db2.gz BVLBSALDJDLIBX-UHFFFAOYSA-N 1 0 381.270 2.784 20 0 GFADRO COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000594930775 565435937 /nfs/dbraw/zinc/43/59/37/565435937.db2.gz IUTBRDIBJJRUAY-DAXOMENPSA-N 1 0 397.313 2.573 20 0 GFADRO O=C(CC[C@H]1CCC[NH2+]C1)N1CCN(Cc2ccc(Br)cc2)CC1 ZINC000621668193 565436453 /nfs/dbraw/zinc/43/64/53/565436453.db2.gz XODQPZAAGIECIH-MRXNPFEDSA-N 1 0 394.357 2.873 20 0 GFADRO [NH3+][C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCN(c3ccc(Cl)c(Cl)c3)C1=O)C2 ZINC000621682861 565437027 /nfs/dbraw/zinc/43/70/27/565437027.db2.gz MLCVDDQPIFUDPV-FNFWKMNBSA-N 1 0 382.291 2.686 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000621684968 565437075 /nfs/dbraw/zinc/43/70/75/565437075.db2.gz WJITXUMARYWZMR-SCLBCKFNSA-N 1 0 389.297 2.897 20 0 GFADRO [NH3+][C@@]12CCC[C@H]1CN(C(=O)c1nn(-c3ccc(F)cc3)cc1Br)C2 ZINC000621681628 565437194 /nfs/dbraw/zinc/43/71/94/565437194.db2.gz VMJBLNIDPYXJPY-APPDUMDISA-N 1 0 393.260 2.727 20 0 GFADRO [NH3+][C@@]12CCC[C@H]1CN(C(=O)c1[nH]nc(-c3ccccc3)c1Br)C2 ZINC000621682667 565437314 /nfs/dbraw/zinc/43/73/14/565437314.db2.gz JPZXJGSGWRMAPR-YVEFUNNKSA-N 1 0 375.270 2.793 20 0 GFADRO CO[C@@H](C[NH2+]Cc1ccc(F)cc1I)[C@H]1CCOC1 ZINC000594949631 565437313 /nfs/dbraw/zinc/43/73/13/565437313.db2.gz FMYWORXJONLLTL-FZMZJTMJSA-N 1 0 379.213 2.571 20 0 GFADRO Cc1nc(C(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)nn1-c1c(Cl)cccc1Cl ZINC000621690681 565437379 /nfs/dbraw/zinc/43/73/79/565437379.db2.gz WRNOJCJESUKBSD-APPDUMDISA-N 1 0 380.279 2.836 20 0 GFADRO C[NH+](C)CCC[C@H]1CN(C(=O)NCc2sccc2Br)CCO1 ZINC000663865583 565440511 /nfs/dbraw/zinc/44/05/11/565440511.db2.gz FYLBWGRIZMLUFH-LBPRGKRZSA-N 1 0 390.347 2.763 20 0 GFADRO CSC[C@@H](CCO)[NH2+][C@@H]1CCc2ccc(I)cc21 ZINC000595026529 565443349 /nfs/dbraw/zinc/44/33/49/565443349.db2.gz PCYWKQLYPFFURQ-TZMCWYRMSA-N 1 0 377.291 2.982 20 0 GFADRO CC(C)[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCO[C@H]2c2cncc(Br)c2)C1 ZINC000621814932 565443918 /nfs/dbraw/zinc/44/39/18/565443918.db2.gz WARDDGWGLKNFRF-BBWFWOEESA-N 1 0 396.329 2.911 20 0 GFADRO [NH3+]C[C@H](NC(=O)NCC(F)(F)c1ccc(Br)cc1)C(F)(F)F ZINC000621827556 565444095 /nfs/dbraw/zinc/44/40/95/565444095.db2.gz ZWAAOTBDKBAXGB-VIFPVBQESA-N 1 0 390.150 2.730 20 0 GFADRO Cc1nc2n(n1)C[C@@H]([NH2+][C@H]1CCc3ccc(I)cc31)CC2 ZINC000595040841 565444592 /nfs/dbraw/zinc/44/45/92/565444592.db2.gz PDQHXBRZIIJJHO-ZFWWWQNUSA-N 1 0 394.260 2.783 20 0 GFADRO COCC[N@H+](C)CCNC(=O)N[C@H](c1ccc(F)c(Cl)c1)C(F)(F)F ZINC000663937147 565444721 /nfs/dbraw/zinc/44/47/21/565444721.db2.gz DLCVZYPGIKFHRY-CYBMUJFWSA-N 1 0 385.789 2.960 20 0 GFADRO CO[C@H](C[NH2+][C@H]1CCc2ccc(I)cc21)[C@@H]1CCOC1 ZINC000595061131 565446895 /nfs/dbraw/zinc/44/68/95/565446895.db2.gz PJZGBSVRIVENLU-UHOFOFEASA-N 1 0 387.261 2.920 20 0 GFADRO COc1c(Cl)cc(NC(=O)C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)cc1Cl ZINC000595115764 565448916 /nfs/dbraw/zinc/44/89/16/565448916.db2.gz WFPVWEUJTGQXID-LLVKDONJSA-N 1 0 386.279 2.541 20 0 GFADRO Brc1cnnc(N2CCO[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000664065579 565451382 /nfs/dbraw/zinc/45/13/82/565451382.db2.gz KKCQESPLUFOYEX-SJORKVTESA-N 1 0 389.297 2.719 20 0 GFADRO Cc1c2cc(C(=O)NC[C@](C)(O)CC[NH+](C)C)[nH]c2ccc1Br ZINC000621960511 565451551 /nfs/dbraw/zinc/45/15/51/565451551.db2.gz YLTBCEQXZRSAHS-QGZVFWFLSA-N 1 0 382.302 2.671 20 0 GFADRO Brc1ccc(N2CC[C@@H]([NH2+]C[C@@H]3CNc4ccnn4C3)C2)cc1 ZINC000595148561 565452334 /nfs/dbraw/zinc/45/23/34/565452334.db2.gz YTZSUNBSVGZOJJ-UKRRQHHQSA-N 1 0 376.302 2.556 20 0 GFADRO C[C@@H](CNC(=O)[C@@H]1C[NH2+]CCC1(F)F)Oc1ccccc1Br ZINC000643983988 565453736 /nfs/dbraw/zinc/45/37/36/565453736.db2.gz DSLYPSAWQPMLJI-QWRGUYRKSA-N 1 0 377.229 2.577 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)NC1CC([NH+](C)C)C1 ZINC000622009874 565454275 /nfs/dbraw/zinc/45/42/75/565454275.db2.gz NBCHYLXADULONC-WLYUNCDWSA-N 1 0 384.567 2.560 20 0 GFADRO C[C@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000622027100 565456508 /nfs/dbraw/zinc/45/65/08/565456508.db2.gz XQRHERFHCBRKGK-SUFBMKPHSA-N 1 0 384.307 2.853 20 0 GFADRO CCN(C(=O)NC[C@@H](C)Oc1cccc(Br)c1)[C@@H]1CC[N@H+](C)C1 ZINC000664251947 565456771 /nfs/dbraw/zinc/45/67/71/565456771.db2.gz WSVTYKFXNBAJOF-UKRRQHHQSA-N 1 0 384.318 2.952 20 0 GFADRO COC(=O)c1cc(F)c(Br)cc1NC(=O)NCC1([NH3+])CCCC1 ZINC000595231969 565457031 /nfs/dbraw/zinc/45/70/31/565457031.db2.gz LQVIZWPLYKDQFU-UHFFFAOYSA-N 1 0 388.237 2.768 20 0 GFADRO CC(C)C[C@H](C[NH3+])NC(=O)[C@H](NC(=O)c1ccccc1Br)C(C)C ZINC000644088607 565457023 /nfs/dbraw/zinc/45/70/23/565457023.db2.gz DDZHKZPTDAGBMS-CZUORRHYSA-N 1 0 398.345 2.693 20 0 GFADRO COc1cc(Br)ccc1[C@H](C)NC(=O)[C@H]1C[NH2+]CCC1(F)F ZINC000644151234 565460891 /nfs/dbraw/zinc/46/08/91/565460891.db2.gz FETIMYYOMFITHG-JOYOIKCWSA-N 1 0 377.229 2.880 20 0 GFADRO C[C@@H]1CN(C(=O)c2cc3c(cc2Br)OCO3)CC[N@@H+](C2CC2)C1 ZINC000622071037 565461402 /nfs/dbraw/zinc/46/14/02/565461402.db2.gz BASYZOVQWHEQDI-NSHDSACASA-N 1 0 381.270 2.734 20 0 GFADRO O=C(N[C@H]1CC12CC[NH2+]CC2)C1CCN(C(=O)c2ccc(Cl)s2)CC1 ZINC000644146559 565461816 /nfs/dbraw/zinc/46/18/16/565461816.db2.gz UPRREMLHWSMNHB-AWEZNQCLSA-N 1 0 381.929 2.512 20 0 GFADRO C[C@H](CCNC(=O)N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)[NH+](C)C ZINC000664601901 565469638 /nfs/dbraw/zinc/46/96/38/565469638.db2.gz ZGTLMVXYYZTMSQ-IAQYHMDHSA-N 1 0 387.311 2.738 20 0 GFADRO C[N@@H+]1C[C@H]2CCN(S(=O)(=O)c3c(Cl)cc(F)cc3Br)[C@H]2C1 ZINC000644297937 565470948 /nfs/dbraw/zinc/47/09/48/565470948.db2.gz BYEZTMHPQJEWMI-PELKAZGASA-N 1 0 397.697 2.566 20 0 GFADRO CCOC(=O)CNC(=O)C1CC[NH+](CCSc2cccc(Cl)c2)CC1 ZINC000595396078 565472424 /nfs/dbraw/zinc/47/24/24/565472424.db2.gz XJGRPVNSROVXSU-UHFFFAOYSA-N 1 0 384.929 2.823 20 0 GFADRO O=C(NC[C@H]1CCC[N@H+](CC2CC2)C1)C(=O)Nc1ccccc1Br ZINC000664675152 565472989 /nfs/dbraw/zinc/47/29/89/565472989.db2.gz OYSLGCYUDSCYRK-CQSZACIVSA-N 1 0 394.313 2.626 20 0 GFADRO C[C@H](CCNC(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1)[NH+](C)C ZINC000664772010 565477661 /nfs/dbraw/zinc/47/76/61/565477661.db2.gz KWUKMKWVUNTFPM-UKRRQHHQSA-N 1 0 383.334 2.667 20 0 GFADRO O=S(=O)(CC[NH2+]CCc1nccs1)c1cccc(Br)c1 ZINC000644533049 565480506 /nfs/dbraw/zinc/48/05/06/565480506.db2.gz KWFPCUVBFUEGRS-UHFFFAOYSA-N 1 0 375.313 2.512 20 0 GFADRO Cc1oc(Br)cc1C(=O)Nc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000644573287 565482818 /nfs/dbraw/zinc/48/28/18/565482818.db2.gz MTYMSBWQSNKIMF-UHFFFAOYSA-N 1 0 394.269 2.894 20 0 GFADRO C[C@@H]1CN(C[C@@H](O)C[NH2+]CC2(c3cccc(Br)c3)CC2)C[C@H](C)O1 ZINC000644567914 565483127 /nfs/dbraw/zinc/48/31/27/565483127.db2.gz OFVFVGWBQRTISM-DAYGRLMNSA-N 1 0 397.357 2.540 20 0 GFADRO CCN1CCCN(S(=O)(=O)c2c(C)cc(Br)cc2C)CC1 ZINC000595604533 565485035 /nfs/dbraw/zinc/48/50/35/565485035.db2.gz TVODLIUFGUEWHU-UHFFFAOYSA-N 1 0 375.332 2.782 20 0 GFADRO Cc1oc(Br)cc1C(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000644635732 565486283 /nfs/dbraw/zinc/48/62/83/565486283.db2.gz YOQNBPNINMNKOR-AWEZNQCLSA-N 1 0 384.318 2.591 20 0 GFADRO CC(C)[C@@H](C[NH2+]C[C@@H](O)COc1ccc(Br)cc1)c1ccnn1C ZINC000644630351 565486733 /nfs/dbraw/zinc/48/67/33/565486733.db2.gz UZCOKUWBNMXJQM-NVXWUHKLSA-N 1 0 396.329 2.952 20 0 GFADRO CS(=O)(=O)C1(C[NH2+]C[C@H](O)COc2ccc(Cl)c(Cl)c2)CCCC1 ZINC000644646701 565487680 /nfs/dbraw/zinc/48/76/80/565487680.db2.gz CCOLHIDMTKLREZ-LBPRGKRZSA-N 1 0 396.336 2.680 20 0 GFADRO O[C@@H](C[NH2+]CCc1ccc2c[nH]nc2c1)COc1cccc(Br)c1 ZINC000644642134 565487985 /nfs/dbraw/zinc/48/79/85/565487985.db2.gz LRCRHKVJEPDESK-INIZCTEOSA-N 1 0 390.281 2.897 20 0 GFADRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)N2CCOC[C@@H]2c2ccc(Br)cc2)C1 ZINC000665254270 565494867 /nfs/dbraw/zinc/49/48/67/565494867.db2.gz LSKAUKOEASCSDJ-XOKHGSTOSA-N 1 0 396.329 2.872 20 0 GFADRO COC(=O)[C@H](c1cc(Cl)cc(Cl)c1)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000595862583 565495057 /nfs/dbraw/zinc/49/50/57/565495057.db2.gz DJUNSHCPYJOENA-SJORKVTESA-N 1 0 387.307 2.739 20 0 GFADRO C[N@@H+]1C[C@@H]2CCCN(C(=O)c3cc(=O)[nH]c4c(Br)cccc34)[C@@H]2C1 ZINC000644826808 565496204 /nfs/dbraw/zinc/49/62/04/565496204.db2.gz COQGXBRXVOKMSF-XHDPSFHLSA-N 1 0 390.281 2.869 20 0 GFADRO [NH3+]Cc1cc(=O)[nH]c(CN[C@H]2CCSc3ccc(Br)cc32)n1 ZINC000665290545 565496478 /nfs/dbraw/zinc/49/64/78/565496478.db2.gz CIPWBBKAYQLBQP-LBPRGKRZSA-N 1 0 381.299 2.730 20 0 GFADRO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)[C@H]2CC(=O)N(c3cc(Cl)cc(Cl)c3)C2)C1 ZINC000644818620 565497060 /nfs/dbraw/zinc/49/70/60/565497060.db2.gz MXHGZWQGECXJIP-MKBNYLNASA-N 1 0 382.291 2.509 20 0 GFADRO CC[C@@H]([NH2+]C)C(=O)NCCSCCOc1cccc(Br)c1 ZINC000595923157 565498407 /nfs/dbraw/zinc/49/84/07/565498407.db2.gz RDURWPMFOHRSIU-CQSZACIVSA-N 1 0 375.332 2.675 20 0 GFADRO O=C(NCCC[NH+]1CCCCC1)[C@@H]1CCO[C@H]1c1cncc(Br)c1 ZINC000665488555 565501524 /nfs/dbraw/zinc/50/15/24/565501524.db2.gz QTSUKAKZCUVEOV-SJORKVTESA-N 1 0 396.329 2.914 20 0 GFADRO C[N@@H+]1CCC[C@@H](NC(=O)NCc2c(F)c(F)c(Br)c(F)c2F)C1 ZINC000644940534 565502390 /nfs/dbraw/zinc/50/23/90/565502390.db2.gz CPOLLLPNNHZJGJ-SSDOTTSWSA-N 1 0 398.198 2.899 20 0 GFADRO C[NH2+][C@H](CC(C)(C)C)C(=O)N[C@H](C(=O)OC)c1ccccc1Br ZINC000595969037 565502741 /nfs/dbraw/zinc/50/27/41/565502741.db2.gz BHAIFEYJLGXVCK-KGLIPLIRSA-N 1 0 385.302 2.804 20 0 GFADRO COC(=O)[C@H](NC(=O)C[C@@H](C)[C@@H]1CCC[NH2+]C1)c1ccccc1Br ZINC000595971116 565503511 /nfs/dbraw/zinc/50/35/11/565503511.db2.gz PPEVBTMJQDBTPE-PBFPGSCMSA-N 1 0 397.313 2.805 20 0 GFADRO C[NH2+]C[C@@H](C)NC(=O)[C@@H](CCSC)NC(=O)c1ccc(Cl)cc1Cl ZINC000595981824 565503591 /nfs/dbraw/zinc/50/35/91/565503591.db2.gz FMTRBLCHKLAJTD-QMTHXVAHSA-N 1 0 392.352 2.569 20 0 GFADRO Clc1cc(Cl)c(OCCN2CCOCC2)c(C[NH2+]C2CCOCC2)c1 ZINC000623363175 565505721 /nfs/dbraw/zinc/50/57/21/565505721.db2.gz DKHRPPLOYCBBGN-UHFFFAOYSA-N 1 0 389.323 2.973 20 0 GFADRO Cc1ccccc1C[N@H+]1CCCN(C(=O)c2nn(C)cc2Br)CC1 ZINC000644974557 565505857 /nfs/dbraw/zinc/50/58/57/565505857.db2.gz PGLLYZRSIYLUAQ-UHFFFAOYSA-N 1 0 391.313 2.839 20 0 GFADRO Clc1cc(Cl)c(OCCN2CCOCC2)c(C[NH2+]C[C@H]2CCOC2)c1 ZINC000623356391 565506078 /nfs/dbraw/zinc/50/60/78/565506078.db2.gz MMXLUNFILKGEOD-CQSZACIVSA-N 1 0 389.323 2.831 20 0 GFADRO CCC[C@@H](O)C[NH2+]Cc1cc(Cl)cc(Cl)c1OCCN1CCOCC1 ZINC000623416033 565509084 /nfs/dbraw/zinc/50/90/84/565509084.db2.gz GRFCDERMSFYCLP-MRXNPFEDSA-N 1 0 391.339 2.955 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)NC[C@@H](n1cccn1)C(F)(F)F)c1ccsc1 ZINC000623409266 565509449 /nfs/dbraw/zinc/50/94/49/565509449.db2.gz WPHJQWCKEYHZAZ-CHWSQXEVSA-N 1 0 375.420 2.650 20 0 GFADRO CCS(=O)(=O)C[C@H](C)[NH2+]Cc1c[nH]nc1-c1ccc(Br)s1 ZINC000623418341 565509935 /nfs/dbraw/zinc/50/99/35/565509935.db2.gz MLZULUUEFKELOT-VIFPVBQESA-N 1 0 392.344 2.814 20 0 GFADRO COc1ncc(Br)cc1CNC(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000623439613 565510790 /nfs/dbraw/zinc/51/07/90/565510790.db2.gz QVFYZDOSZXNTES-UHFFFAOYSA-N 1 0 397.317 2.526 20 0 GFADRO Clc1cc(Cl)c(OCCN2CCOCC2)c(C[NH2+][C@@H]2CCOC2)c1 ZINC000623471259 565513347 /nfs/dbraw/zinc/51/33/47/565513347.db2.gz UMPORYXDQPXSDO-OAHLLOKOSA-N 1 0 375.296 2.583 20 0 GFADRO C[NH+]1CCC2(CC1)CN(C(=O)NCc1cc(Br)cs1)CCO2 ZINC000645178991 565516039 /nfs/dbraw/zinc/51/60/39/565516039.db2.gz FNFXGDPTACPKRC-UHFFFAOYSA-N 1 0 388.331 2.517 20 0 GFADRO C[C@@H]([NH2+]C[C@@H]1CCCN(S(C)(=O)=O)C1)c1ccc(F)c(Br)c1 ZINC000645196222 565517006 /nfs/dbraw/zinc/51/70/06/565517006.db2.gz LPJDPTGKEDCTSE-NEPJUHHUSA-N 1 0 393.322 2.910 20 0 GFADRO Cc1cc(Br)c(F)c(C(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)c1 ZINC000623551243 565518354 /nfs/dbraw/zinc/51/83/54/565518354.db2.gz QRYUMHAWYPVKKB-ZDUSSCGKSA-N 1 0 387.293 2.983 20 0 GFADRO FC(F)CN1CCC[C@@H]1C[NH2+]Cc1cc2c(c(Br)c1)OCO2 ZINC000623627233 565521532 /nfs/dbraw/zinc/52/15/32/565521532.db2.gz VAJRQQSCAHKLPI-LLVKDONJSA-N 1 0 377.229 2.997 20 0 GFADRO NC(=O)c1ccc(C[NH2+][C@]2(CO)CCc3cc(Br)ccc3C2)cc1 ZINC000623643793 565521706 /nfs/dbraw/zinc/52/17/06/565521706.db2.gz BUMJDNCGDBCBTO-LJQANCHMSA-N 1 0 389.293 2.558 20 0 GFADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@@H]1CCN(C2CCCCC2)C1=O ZINC000666108948 565523307 /nfs/dbraw/zinc/52/33/07/565523307.db2.gz ZMLNOOMNIJVUIL-CZUORRHYSA-N 1 0 396.329 2.523 20 0 GFADRO CS(=O)(=O)N1CCC([NH2+]Cc2cccc(Br)c2Cl)CC1 ZINC000666196915 565526928 /nfs/dbraw/zinc/52/69/28/565526928.db2.gz BVTONBFJZGEMHK-UHFFFAOYSA-N 1 0 381.723 2.616 20 0 GFADRO COc1ncc(Br)cc1CNC(=O)NC[C@H](C)[NH+]1CCC(C)CC1 ZINC000623720954 565526968 /nfs/dbraw/zinc/52/69/68/565526968.db2.gz AVSBPRWPLKOCDT-ZDUSSCGKSA-N 1 0 399.333 2.772 20 0 GFADRO COc1cc(NC(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)ccc1Br ZINC000666250857 565529451 /nfs/dbraw/zinc/52/94/51/565529451.db2.gz YOQIDYGVOZRBSO-CQSZACIVSA-N 1 0 398.301 2.833 20 0 GFADRO O=c1[nH]cccc1C[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000623777661 565529428 /nfs/dbraw/zinc/52/94/28/565529428.db2.gz MUOGBNUMSWRJKA-UHFFFAOYSA-N 1 0 378.270 2.676 20 0 GFADRO CSc1nsc(NC(=O)NCC2CC[NH+](Cc3ccncc3)CC2)n1 ZINC000666287971 565530031 /nfs/dbraw/zinc/53/00/31/565530031.db2.gz SVESCTOIBFJYFA-UHFFFAOYSA-N 1 0 378.527 2.689 20 0 GFADRO Cc1ccncc1[C@H](C)[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000666292299 565530514 /nfs/dbraw/zinc/53/05/14/565530514.db2.gz WCLBTTKQAOPNJH-NSHDSACASA-N 1 0 384.299 2.651 20 0 GFADRO Cc1ccc(S(=O)(=O)C[C@@H](C)[NH2+]C[C@H](n2cccn2)C(F)(F)F)cc1 ZINC000624043876 565540182 /nfs/dbraw/zinc/54/01/82/565540182.db2.gz BUGNBVWLHQYMMY-HIFRSBDPSA-N 1 0 375.416 2.747 20 0 GFADRO Cc1cccc2c1C[C@H]([NH2+][C@@H](C)Cn1cc(Br)ccc1=O)CO2 ZINC000624070756 565541529 /nfs/dbraw/zinc/54/15/29/565541529.db2.gz PAVTVADPJYXIJR-ZFWWWQNUSA-N 1 0 377.282 2.901 20 0 GFADRO COc1ncc(Br)cc1CNC(=O)NCCCCC[NH+]1CCCC1 ZINC000624126021 565544223 /nfs/dbraw/zinc/54/42/23/565544223.db2.gz USHGBHREQHUSTO-UHFFFAOYSA-N 1 0 399.333 2.918 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)[C@@H]1CCO[C@H]1c1cncc(Br)c1 ZINC000666608163 565545717 /nfs/dbraw/zinc/54/57/17/565545717.db2.gz IAAQQZAXMHJEMK-TWMKSMIVSA-N 1 0 394.313 2.665 20 0 GFADRO CO[C@H]1C[C@H](NC(=O)NC2CCN(Cc3cccc(Br)c3)CC2)C1 ZINC000624219156 565547472 /nfs/dbraw/zinc/54/74/72/565547472.db2.gz MDRMROLIIRERMA-QAQDUYKDSA-N 1 0 396.329 2.890 20 0 GFADRO CCN(C(=O)Nc1ccc(I)cc1F)[C@H]1CC[N@H+](C)C1 ZINC000597020155 565547605 /nfs/dbraw/zinc/54/76/05/565547605.db2.gz GCAJYGRGXMWGTF-NSHDSACASA-N 1 0 391.228 2.988 20 0 GFADRO COc1cc(C(=O)N[C@H](C)C2CC[NH+](C)CC2)cc(OC)c1Br ZINC000624268087 565550227 /nfs/dbraw/zinc/55/02/27/565550227.db2.gz IESHZUZEQXCTEY-LLVKDONJSA-N 1 0 385.302 2.926 20 0 GFADRO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1c1nccc(-c2ccc(Br)cc2)n1 ZINC000624285902 565550273 /nfs/dbraw/zinc/55/02/73/565550273.db2.gz BSEHQZPMEIHILX-UONOGXRCSA-N 1 0 391.313 2.797 20 0 GFADRO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@H]1CCN(C2CCC2)C1=O ZINC000624340481 565552272 /nfs/dbraw/zinc/55/22/72/565552272.db2.gz CQVNUYKANSYQIY-WBMJQRKESA-N 1 0 394.313 2.909 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CN(C(=O)Nc2cc(Cl)ccc2OCC(F)(F)F)CCO1 ZINC000666728337 565553418 /nfs/dbraw/zinc/55/34/18/565553418.db2.gz JNIWMJWZEPZIRQ-ZANVPECISA-N 1 0 381.782 2.861 20 0 GFADRO [NH3+]C[C@@H]1CN(S(=O)(=O)C[C@H]2CCCCC2(F)F)CC[C@@H]1C(F)(F)F ZINC000624391845 565554645 /nfs/dbraw/zinc/55/46/45/565554645.db2.gz FDWHZOUDCMRXKJ-UTUOFQBUSA-N 1 0 378.407 2.601 20 0 GFADRO CCc1cccc(CC)c1S(=O)(=O)N1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000624391279 565554774 /nfs/dbraw/zinc/55/47/74/565554774.db2.gz ULEDESCKZDNUGT-GJZGRUSLSA-N 1 0 378.460 2.959 20 0 GFADRO C[N@@H+]1C[C@@H]2CCN(S(=O)(=O)Cc3cc(Cl)ccc3Br)[C@@H]2C1 ZINC000645722223 565555311 /nfs/dbraw/zinc/55/53/11/565555311.db2.gz DVPNZHRDVQMBJD-IINYFYTJSA-N 1 0 393.734 2.568 20 0 GFADRO C[C@H]1CC[C@H](NS(=O)(=O)Cc2ccc(Cl)cc2Br)C[NH2+]1 ZINC000624403974 565555871 /nfs/dbraw/zinc/55/58/71/565555871.db2.gz DWZNRRXHEACDAX-CABZTGNLSA-N 1 0 381.723 2.662 20 0 GFADRO CN(CCOCC[NH3+])S(=O)(=O)c1ccc(Oc2ccccc2Cl)cc1 ZINC000624409690 565556026 /nfs/dbraw/zinc/55/60/26/565556026.db2.gz LSAJMDNPZDOSFC-UHFFFAOYSA-N 1 0 384.885 2.728 20 0 GFADRO CC[C@@H]1[NH2+]CC[C@H]1NS(=O)(=O)c1cc(Cl)c(Br)cc1F ZINC000624393611 565556031 /nfs/dbraw/zinc/55/60/31/565556031.db2.gz DSRKIIYXYSBUPK-WDEREUQCSA-N 1 0 385.686 2.660 20 0 GFADRO CCOC(=O)COc1c(Br)cc(C)cc1C[N@H+](C)C1(CO)CC1 ZINC000597254872 565558390 /nfs/dbraw/zinc/55/83/90/565558390.db2.gz NHQWZCBNFICDES-UHFFFAOYSA-N 1 0 386.286 2.656 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)NC[C@@H](n1cccn1)C(F)(F)F)c1cccs1 ZINC000624487338 565558855 /nfs/dbraw/zinc/55/88/55/565558855.db2.gz HDYWXALBXACYBL-DGCLKSJQSA-N 1 0 375.420 2.650 20 0 GFADRO CC[C@@H]1C[N@H+](C)CCCN1C(=O)c1cccc(F)c1I ZINC000597603569 565567652 /nfs/dbraw/zinc/56/76/52/565567652.db2.gz DNGGXWJOVAWPOR-LLVKDONJSA-N 1 0 390.240 2.987 20 0 GFADRO Cc1cccc2cc(S(=O)(=O)N3CCOC4(CC[NH+](C)CC4)C3)sc21 ZINC000645856708 565568158 /nfs/dbraw/zinc/56/81/58/565568158.db2.gz SMOGNVIWUUUAHU-UHFFFAOYSA-N 1 0 380.535 2.695 20 0 GFADRO C[NH+]1CCC2(CC1)CN(S(=O)(=O)Cc1c(Cl)cccc1Cl)CCO2 ZINC000645856255 565568810 /nfs/dbraw/zinc/56/88/10/565568810.db2.gz SREUTSGPNXPLDX-UHFFFAOYSA-N 1 0 393.336 2.620 20 0 GFADRO O=C(Nc1cc(Br)ccc1-n1cccn1)N[C@H]1CCC[NH2+]CC1 ZINC000667088175 565569285 /nfs/dbraw/zinc/56/92/85/565569285.db2.gz HLYFEQXEHFRHNH-ZDUSSCGKSA-N 1 0 378.274 2.898 20 0 GFADRO C[NH+](C)CC1CN(C(=O)c2ccc(I)cc2Cl)C1 ZINC000597709498 565570736 /nfs/dbraw/zinc/57/07/36/565570736.db2.gz WHSUCXAAGJRPTG-UHFFFAOYSA-N 1 0 378.641 2.578 20 0 GFADRO C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1ccc(I)cc1)C2 ZINC000597715535 565571546 /nfs/dbraw/zinc/57/15/46/565571546.db2.gz LQYYJBRZKFOALG-INIZCTEOSA-N 1 0 384.261 2.849 20 0 GFADRO CN1CCOC[C@H]1CNC(=O)N1CC=C(c2cccc(Br)c2)CC1 ZINC000624729867 565573232 /nfs/dbraw/zinc/57/32/32/565573232.db2.gz LBUOQZJCAVLILT-QGZVFWFLSA-N 1 0 394.313 2.578 20 0 GFADRO COc1cc(CNC(=O)N(C)[C@H]2CC[N@@H+](C3CC3)C2)c(Br)cc1O ZINC000645922324 565573923 /nfs/dbraw/zinc/57/39/23/565573923.db2.gz PQXRAUFBQGIASF-ZDUSSCGKSA-N 1 0 398.301 2.541 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CN(C(=O)Nc2cc(Br)ccc2N2CCCC2)CCO1 ZINC000667225149 565578226 /nfs/dbraw/zinc/57/82/26/565578226.db2.gz QTJUWLIKBMOSCH-LRDDRELGSA-N 1 0 397.317 2.629 20 0 GFADRO CCC[N@H+](C)CC(=O)NCc1cc(Cl)ccc1I ZINC000597896461 565580521 /nfs/dbraw/zinc/58/05/21/565580521.db2.gz DKXFKDLPIYOCFI-UHFFFAOYSA-N 1 0 380.657 2.903 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CN(C(=O)Nc2ccn(-c3ccc(Cl)cc3Cl)n2)CCO1 ZINC000667316069 565581511 /nfs/dbraw/zinc/58/15/11/565581511.db2.gz UGLCLSNUHRZQHS-HZMBPMFUSA-N 1 0 384.267 2.759 20 0 GFADRO CCCC[C@H](C[NH3+])NC(=O)C(=O)Nc1cc(Br)c(F)cc1Cl ZINC000667396547 565584457 /nfs/dbraw/zinc/58/44/57/565584457.db2.gz PXMUSTDQUFXFSU-MRVPVSSYSA-N 1 0 394.672 2.814 20 0 GFADRO CN(CC(C)(C)C[NH3+])C(=O)C(=O)Nc1ccccc1SCC(F)(F)F ZINC000667388370 565584595 /nfs/dbraw/zinc/58/45/95/565584595.db2.gz LMNXVZCHWFNOER-UHFFFAOYSA-N 1 0 377.432 2.723 20 0 GFADRO Cc1cc(Br)c(F)cc1S(=O)(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000624952590 565585041 /nfs/dbraw/zinc/58/50/41/565585041.db2.gz QAWIDYRKRBEDCT-LBPRGKRZSA-N 1 0 391.306 2.755 20 0 GFADRO CNC(=O)[C@@]1(C(F)(F)F)CC[N@H+](CCC(=O)Nc2cccc(Cl)c2)C1 ZINC000646109626 565585821 /nfs/dbraw/zinc/58/58/21/565585821.db2.gz WPIKOLPKRPXNNP-OAHLLOKOSA-N 1 0 377.794 2.669 20 0 GFADRO COCC[N@H+](C)CCCNC(=O)Nc1ccc(Br)c(F)c1C ZINC000667499786 565588793 /nfs/dbraw/zinc/58/87/93/565588793.db2.gz VICOOHJMBATQIY-UHFFFAOYSA-N 1 0 376.270 2.986 20 0 GFADRO Cc1c(F)c(Br)ccc1NC(=O)N1C[C@@H](C)[N@@H+](CCO)C[C@H]1C ZINC000667505705 565591135 /nfs/dbraw/zinc/59/11/35/565591135.db2.gz YBXXQPMEFDHIII-GHMZBOCLSA-N 1 0 388.281 2.815 20 0 GFADRO [NH3+][C@H]1CCC[C@@H](CNC(=O)Nc2ccnn2-c2ccc(Br)cn2)C1 ZINC000667517405 565592126 /nfs/dbraw/zinc/59/21/26/565592126.db2.gz GPHMMVURVNWVCZ-YPMHNXCESA-N 1 0 393.289 2.669 20 0 GFADRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(Cc2c(F)cncc2Br)CC1 ZINC000667564608 565594758 /nfs/dbraw/zinc/59/47/58/565594758.db2.gz RSEVEGFJYOLRPH-GJZGRUSLSA-N 1 0 399.352 2.974 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N2CC[C@]3(C2)CCC[NH2+]C3)cc1Br ZINC000667580494 565596027 /nfs/dbraw/zinc/59/60/27/565596027.db2.gz ICZYZJRTGJUDHE-GOSISDBHSA-N 1 0 394.313 2.607 20 0 GFADRO O=C(Nc1ccn(-c2ccc(Br)cc2)n1)N[C@H]1CCC[NH2+]CC1 ZINC000667639566 565598493 /nfs/dbraw/zinc/59/84/93/565598493.db2.gz RFNFZSBOQUXSIO-ZDUSSCGKSA-N 1 0 378.274 2.898 20 0 GFADRO CCC[N@@H+]1CC[C@H](NC(=O)c2scc(C)c2I)C1 ZINC000598342748 565610898 /nfs/dbraw/zinc/61/08/98/565610898.db2.gz PWISPPKJLVLWKX-JTQLQIEISA-N 1 0 378.279 2.875 20 0 GFADRO COCCC[N@H+](C)CCNC(=O)Nc1ccc(-c2ccc(Cl)s2)nn1 ZINC000667681600 565600494 /nfs/dbraw/zinc/60/04/94/565600494.db2.gz MOYPKVKDNPVBAZ-UHFFFAOYSA-N 1 0 383.905 2.948 20 0 GFADRO [NH3+]C[C@H]1CC[C@@H](NC(=O)C(=O)Nc2ccccc2SCC(F)(F)F)C1 ZINC000667682087 565600784 /nfs/dbraw/zinc/60/07/84/565600784.db2.gz CKCTVUJMUJBRAG-WDEREUQCSA-N 1 0 375.416 2.523 20 0 GFADRO O=C(c1[nH]nc(C2CC2)c1Br)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000646377787 565601163 /nfs/dbraw/zinc/60/11/63/565601163.db2.gz BEQKHJRZCYUHAM-CHWSQXEVSA-N 1 0 381.318 2.901 20 0 GFADRO CC(C)[C@H](NC(=O)c1ccccc1Br)C(=O)NC[C@@H](C)C[NH+](C)C ZINC000646373235 565601268 /nfs/dbraw/zinc/60/12/68/565601268.db2.gz CVRRLGKJMPEUTE-CJNGLKHVSA-N 1 0 398.345 2.517 20 0 GFADRO OCCN(CCOC1CCOCC1)Cc1cc(Br)ccc1F ZINC000625135965 565602367 /nfs/dbraw/zinc/60/23/67/565602367.db2.gz NJVKWQHDKQEXDW-UHFFFAOYSA-N 1 0 376.266 2.578 20 0 GFADRO O=C([C@@H]1CCc2nc[nH]c2C1)N1CCO[C@H](c2cccc(Br)c2)C1 ZINC000667721646 565602655 /nfs/dbraw/zinc/60/26/55/565602655.db2.gz OVUSMQHIZBEGCH-DYVFJYSZSA-N 1 0 390.281 2.877 20 0 GFADRO C[N@@H+]1CCC[C@H]1[C@@H]1COCCN1C(=O)CCc1ccc(Br)cc1 ZINC000646446364 565603406 /nfs/dbraw/zinc/60/34/06/565603406.db2.gz ZPVKJUPTEJASAA-IRXDYDNUSA-N 1 0 381.314 2.703 20 0 GFADRO C[N@@H+]1CCC[C@H]1[C@H]1COCCN1C(=O)CCc1ccccc1Br ZINC000646445558 565603678 /nfs/dbraw/zinc/60/36/78/565603678.db2.gz TUJPEBWGFWRFDL-DLBZAZTESA-N 1 0 381.314 2.703 20 0 GFADRO C[N@@H+]1CCC[C@H]1[C@@H]1COCCN1C(=O)c1cc2cc(Br)ccc2[nH]1 ZINC000646446412 565603712 /nfs/dbraw/zinc/60/37/12/565603712.db2.gz HELQHBCSSRTWNY-IRXDYDNUSA-N 1 0 392.297 2.866 20 0 GFADRO CCc1cc(Br)cc2sc(NC(=O)C[C@H]3COCC[NH2+]3)nc21 ZINC000646494800 565604666 /nfs/dbraw/zinc/60/46/66/565604666.db2.gz UBAIHQWJWPNDRR-NSHDSACASA-N 1 0 384.299 2.938 20 0 GFADRO O=C([C@@H]1C[C@H]1C1CC[NH2+]CC1)N1CCOc2ccc(Br)cc2C1 ZINC000646555111 565607775 /nfs/dbraw/zinc/60/77/75/565607775.db2.gz XRNKQOKUIOLYSI-JKSUJKDBSA-N 1 0 379.298 2.806 20 0 GFADRO CO[C@@H]1C[NH2+][C@@H](C(=O)NCC2(c3cc(C(F)(F)F)ccc3Cl)CC2)C1 ZINC000646553013 565608349 /nfs/dbraw/zinc/60/83/49/565608349.db2.gz MEQVQLOJUJNJFV-SMDDNHRTSA-N 1 0 376.806 2.884 20 0 GFADRO O=C(NCCC[NH+]1CCCCC1)c1cc(Br)cc2[nH]c(=O)[nH]c21 ZINC000646592720 565610421 /nfs/dbraw/zinc/61/04/21/565610421.db2.gz YMOQTVXXTKWGMZ-UHFFFAOYSA-N 1 0 381.274 2.637 20 0 GFADRO O=S(=O)(c1cc(Br)sc1Cl)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000647264351 565651092 /nfs/dbraw/zinc/65/10/92/565651092.db2.gz YYFQMKUNPLLSJR-SFYZADRCSA-N 1 0 385.736 2.537 20 0 GFADRO Cn1nc2cc(Br)ccc2c1C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000646754918 565617960 /nfs/dbraw/zinc/61/79/60/565617960.db2.gz SGDMNMFPRVDBEG-OAHLLOKOSA-N 1 0 379.302 2.973 20 0 GFADRO CCCN(C(=O)C(=O)Nc1cc(C)ccc1Br)[C@H]1CC[N@H+](C)C1 ZINC000646766303 565618100 /nfs/dbraw/zinc/61/81/00/565618100.db2.gz VVJLHWJOYBPZNE-ZDUSSCGKSA-N 1 0 382.302 2.639 20 0 GFADRO CCCN(C(=O)C(=O)Nc1cc(Cl)c(Cl)cc1OC)[C@@H]1CC[N@H+](C)C1 ZINC000646763776 565618321 /nfs/dbraw/zinc/61/83/21/565618321.db2.gz ISMHJHBMFGAEBX-LLVKDONJSA-N 1 0 388.295 2.883 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CN(C(=O)c2ccc(Br)c(OC(F)(F)F)c2)CCO1 ZINC000646855069 565623040 /nfs/dbraw/zinc/62/30/40/565623040.db2.gz ZMXIRVHEMRIDAR-PELKAZGASA-N 1 0 397.191 2.536 20 0 GFADRO Cc1csc(C(=O)N2CC[NH2+][C@H](C(C)C)C2)c1I ZINC000598571111 565627916 /nfs/dbraw/zinc/62/79/16/565627916.db2.gz GJRIPZBUPCAKOX-JTQLQIEISA-N 1 0 378.279 2.731 20 0 GFADRO CC1([NH3+])CCN(C(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000646995867 565631230 /nfs/dbraw/zinc/63/12/30/565631230.db2.gz VMDZGIIDEKKPET-HNNXBMFYSA-N 1 0 384.307 2.938 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)CCCc2cccc(Br)c2)CC12CCOCC2 ZINC000647078583 565635684 /nfs/dbraw/zinc/63/56/84/565635684.db2.gz DDPUSGXGRGPKTK-MRXNPFEDSA-N 1 0 395.341 2.986 20 0 GFADRO Cc1cc(COc2ccc(C(=O)N[C@H](C)[C@H](C)[NH3+])cc2Br)no1 ZINC000647068000 565635962 /nfs/dbraw/zinc/63/59/62/565635962.db2.gz IXSVRRVCUZPVAA-WDEREUQCSA-N 1 0 382.258 2.790 20 0 GFADRO O=C(CCc1ncc(-c2ccccc2Br)o1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000647084005 565636345 /nfs/dbraw/zinc/63/63/45/565636345.db2.gz XEFLRYVADCJJBJ-DOMZBBRYSA-N 1 0 390.281 2.857 20 0 GFADRO C[C@H](CC(=O)N1CCC([C@@H]2[NH2+]CC2(C)C)CC1)n1cc(Br)cn1 ZINC000647092723 565636692 /nfs/dbraw/zinc/63/66/92/565636692.db2.gz JCMCPNACCHDOTD-WBMJQRKESA-N 1 0 383.334 2.833 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)C(=O)NCCc2ccc(Cl)cc2Cl)C1 ZINC000668342206 565641175 /nfs/dbraw/zinc/64/11/75/565641175.db2.gz DRHWCHLALSHSEK-AWEZNQCLSA-N 1 0 386.323 2.641 20 0 GFADRO FC(F)Oc1ccc(Br)c(C[NH2+]CCc2nnc3n2CCC3)c1 ZINC000647170731 565643389 /nfs/dbraw/zinc/64/33/89/565643389.db2.gz LTOOAZYSRKPKCX-UHFFFAOYSA-N 1 0 387.228 2.921 20 0 GFADRO O=C(c1cc(Br)cc2[nH]c(=O)[nH]c21)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000668423352 565646242 /nfs/dbraw/zinc/64/62/42/565646242.db2.gz VWBDBVCGUGDRCL-GFCCVEGCSA-N 1 0 393.285 2.731 20 0 GFADRO C[C@H](Cc1ccc(O)cc1)[NH2+]CCNC(=O)c1ccc(Br)cn1 ZINC000668459866 565648283 /nfs/dbraw/zinc/64/82/83/565648283.db2.gz OKQVTGASZICPGH-GFCCVEGCSA-N 1 0 378.270 2.500 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H](NS(=O)(=O)Cc2ccc(Cl)cc2Br)C1 ZINC000647259743 565649541 /nfs/dbraw/zinc/64/95/41/565649541.db2.gz TUTVRJQCZWBTBG-VXGBXAGGSA-N 1 0 381.723 2.792 20 0 GFADRO CC(C)(C[NH2+]CC1=Cc2cc(Br)ccc2OC1)[C@@]1(O)CCOC1 ZINC000647246513 565649710 /nfs/dbraw/zinc/64/97/10/565649710.db2.gz IHMCOGXTETVQTB-GOSISDBHSA-N 1 0 382.298 2.992 20 0 GFADRO [NH3+][C@@H]1CCC[C@H]2CN(S(=O)(=O)c3cc(Cl)ccc3OC(F)F)C[C@@H]21 ZINC000647267298 565650710 /nfs/dbraw/zinc/65/07/10/565650710.db2.gz WRVZUDPCTWAJAI-ZMLRMANQSA-N 1 0 380.844 2.689 20 0 GFADRO CC[NH+](CC)[C@@H](CNC(=O)C(=O)N[C@@H](C)c1cscn1)c1ccsc1 ZINC000668491466 565651177 /nfs/dbraw/zinc/65/11/77/565651177.db2.gz LWZTYZUVHNTLLM-WFASDCNBSA-N 1 0 380.539 2.581 20 0 GFADRO Cc1cc(Br)cn2c(CN3CC[C@H]4NC(=O)CC[C@@H]4C3)cnc12 ZINC000668540253 565652485 /nfs/dbraw/zinc/65/24/85/565652485.db2.gz APKIRRIAMOZDHB-IUODEOHRSA-N 1 0 377.286 2.506 20 0 GFADRO O=C(COCC(F)F)NC1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000625719251 565654950 /nfs/dbraw/zinc/65/49/50/565654950.db2.gz JTTKTPTYPCEFSO-UHFFFAOYSA-N 1 0 376.831 2.581 20 0 GFADRO O=S(=O)(N[C@H]1CC12CC[NH2+]CC2)c1cc(Br)sc1Cl ZINC000647303219 565655228 /nfs/dbraw/zinc/65/52/28/565655228.db2.gz NGIAFDCUPAMZCN-QMMMGPOBSA-N 1 0 385.736 2.584 20 0 GFADRO Cn1cc(Br)c2ccc(S(=O)(=O)NC(C)(C)CCC[NH3+])cc21 ZINC000647305938 565655561 /nfs/dbraw/zinc/65/55/61/565655561.db2.gz KQIUMAKSEWSBCK-UHFFFAOYSA-N 1 0 388.331 2.737 20 0 GFADRO COC(=O)CCNC(=O)CC[NH2+][C@@H](C)c1cc2cc(Br)ccc2o1 ZINC000599090260 565656732 /nfs/dbraw/zinc/65/67/32/565656732.db2.gz ZXQHTLCDYGCEBH-NSHDSACASA-N 1 0 397.269 2.915 20 0 GFADRO C[C@H]([NH2+]CC[C@@H]1CSc2ccccc2O1)c1ccc(S(N)(=O)=O)cc1 ZINC000647320835 565657199 /nfs/dbraw/zinc/65/71/99/565657199.db2.gz HIABCCAOBQKJAR-DZGCQCFKSA-N 1 0 378.519 2.928 20 0 GFADRO CC[C@@H]([NH2+][C@H](C)c1ccc(S(C)(=O)=O)cc1)C(=O)NCc1cccs1 ZINC000647333067 565657948 /nfs/dbraw/zinc/65/79/48/565657948.db2.gz KXHIJCXIDBIKRU-CXAGYDPISA-N 1 0 380.535 2.897 20 0 GFADRO CC[C@@H]([NH2+]Cc1ccc(CO)cc1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000647322017 565657980 /nfs/dbraw/zinc/65/79/80/565657980.db2.gz BXMHGBQXUJVHEV-QGZVFWFLSA-N 1 0 382.913 2.981 20 0 GFADRO O=S(=O)(Cc1ccc(Br)cc1Cl)N[C@H]1CCCC[NH2+]C1 ZINC000647324365 565658087 /nfs/dbraw/zinc/65/80/87/565658087.db2.gz URJNKFTYYNUINF-LBPRGKRZSA-N 1 0 381.723 2.664 20 0 GFADRO OC[C@H]1CCC2(CCOCC2)C[N@@H+]1Cc1cn2cc(Br)ccc2n1 ZINC000625758621 565658242 /nfs/dbraw/zinc/65/82/42/565658242.db2.gz SQMNBRCFCVAWLB-MRXNPFEDSA-N 1 0 394.313 2.850 20 0 GFADRO OC[C@]1([NH2+]CCO[C@H]2CC2(F)F)CCc2cc(Br)ccc2C1 ZINC000625796023 565660430 /nfs/dbraw/zinc/66/04/30/565660430.db2.gz CVOVNXQIYXXNPE-GJZGRUSLSA-N 1 0 376.241 2.683 20 0 GFADRO O=C(C[NH2+][C@]1(CO)CCc2cc(Br)ccc2C1)Nc1ccccc1 ZINC000625795455 565660578 /nfs/dbraw/zinc/66/05/78/565660578.db2.gz WHYKKIFTSXCZBQ-LJQANCHMSA-N 1 0 389.293 2.897 20 0 GFADRO CC1(C)CCC[C@](CO)([NH2+]Cc2cc(=O)n3cc(Br)ccc3n2)C1 ZINC000625832848 565662497 /nfs/dbraw/zinc/66/24/97/565662497.db2.gz QUAFOMZXCGFRHT-SFHVURJKSA-N 1 0 394.313 2.878 20 0 GFADRO CN(CCOCC[NH3+])C(=O)Nc1ccc(Br)c(C(F)(F)F)c1 ZINC000625833352 565662512 /nfs/dbraw/zinc/66/25/12/565662512.db2.gz OKJQBJKKXCMRRK-UHFFFAOYSA-N 1 0 384.196 2.907 20 0 GFADRO CCN(CC[NH3+])C(=O)Nc1ccc(CCn2cc(Br)cn2)cc1 ZINC000625863574 565663685 /nfs/dbraw/zinc/66/36/85/565663685.db2.gz CPJYOBPHCVSNIY-UHFFFAOYSA-N 1 0 380.290 2.701 20 0 GFADRO [NH3+]C1(CNC(=O)Nc2cccc3c(Br)ccnc23)CCOCC1 ZINC000625892748 565665556 /nfs/dbraw/zinc/66/55/56/565665556.db2.gz XGMNXDOOMLLBLL-UHFFFAOYSA-N 1 0 379.258 2.627 20 0 GFADRO C[C@@H]1CN(C(=O)C[NH2+][C@H](CN(C)C)c2ccc(Cl)c(Cl)c2)C[C@@H](C)O1 ZINC000625983506 565668388 /nfs/dbraw/zinc/66/83/88/565668388.db2.gz RUJXJGXTOIAOMS-PBFPGSCMSA-N 1 0 388.339 2.822 20 0 GFADRO COC(=O)CCCC[N@@H+]1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000599315758 565669745 /nfs/dbraw/zinc/66/97/45/565669745.db2.gz STCBDDBDURUTIK-CYBMUJFWSA-N 1 0 398.301 2.838 20 0 GFADRO C[C@@H]1C[C@@H](c2ccc(Br)cc2)C[N@@H+]1CC(=O)NC[C@@H]1CCCO1 ZINC000626039969 565672930 /nfs/dbraw/zinc/67/29/30/565672930.db2.gz SOSBLVNVQNKULX-UNEWFSDZSA-N 1 0 381.314 2.922 20 0 GFADRO COc1ccc(CN2CC[NH+](CCCF)CC2)c(Br)c1OC ZINC000626072218 565674272 /nfs/dbraw/zinc/67/42/72/565674272.db2.gz MBSDZFNUGGGAKR-UHFFFAOYSA-N 1 0 375.282 2.944 20 0 GFADRO C[C@@H]1CN(C(=O)C[NH2+][C@H](CCO)c2cc(Cl)cc(Cl)c2)C[C@@H](C)O1 ZINC000626100670 565675276 /nfs/dbraw/zinc/67/52/76/565675276.db2.gz VKLFXLNHAXEHQR-XHBSWPGZSA-N 1 0 375.296 2.642 20 0 GFADRO [NH3+]CC1(NC(=O)c2ncc(Br)cc2Br)CCCC1 ZINC000647806292 565677888 /nfs/dbraw/zinc/67/78/88/565677888.db2.gz KXOHNYVDWVRARS-UHFFFAOYSA-N 1 0 377.080 2.608 20 0 GFADRO C[N@@H+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)CCOc1ccccc1Br ZINC000647822949 565678759 /nfs/dbraw/zinc/67/87/59/565678759.db2.gz ASGYCUNMBXKOHR-CVEARBPZSA-N 1 0 397.313 2.540 20 0 GFADRO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1ccn(-c2cccc(Br)c2)n1 ZINC000647833207 565680012 /nfs/dbraw/zinc/68/00/12/565680012.db2.gz LITUEZZMLHIQGI-WBMJQRKESA-N 1 0 377.286 2.799 20 0 GFADRO C[C@@H]1[C@H]([NH+](C)C)CCN1S(=O)(=O)c1c(Cl)cc(F)cc1Br ZINC000647889007 565681012 /nfs/dbraw/zinc/68/10/12/565681012.db2.gz TWPQXFUJCPNXFK-PRHODGIISA-N 1 0 399.713 2.955 20 0 GFADRO NC(=O)[C@H](c1ccc(Br)cc1F)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000647903739 565682371 /nfs/dbraw/zinc/68/23/71/565682371.db2.gz OYFZZJDUDLFTPF-LYRGGWFBSA-N 1 0 384.293 2.579 20 0 GFADRO [NH3+][C@@H]1CCC[C@H]2CN(CC(=O)Nc3c(F)cc(F)cc3Br)C[C@H]21 ZINC000647907838 565683357 /nfs/dbraw/zinc/68/33/57/565683357.db2.gz BECXLPRTOQVYIP-DRCTWCGVSA-N 1 0 388.256 2.725 20 0 GFADRO CC(C)(CO)[NH+]1CCN(Cc2cc(OC(F)F)ccc2Br)CC1 ZINC000648008903 565687273 /nfs/dbraw/zinc/68/72/73/565687273.db2.gz DKLWJEGRMALGDH-UHFFFAOYSA-N 1 0 393.272 2.939 20 0 GFADRO CC1(OCC(=O)Nc2ncc(Cc3cccc(Br)c3)s2)C[NH2+]C1 ZINC000648021637 565688385 /nfs/dbraw/zinc/68/83/85/565688385.db2.gz CZOBCCOCSYEVJW-UHFFFAOYSA-N 1 0 396.310 2.813 20 0 GFADRO O=C(NCCOc1ncc(C(F)(F)F)cc1Cl)N[C@@H]1CCC[NH2+]CC1 ZINC000669496772 565690972 /nfs/dbraw/zinc/69/09/72/565690972.db2.gz PJVURCOGKOVOKK-LLVKDONJSA-N 1 0 380.798 2.574 20 0 GFADRO COC(=O)c1cc(NC(=O)N[C@H]2CC[C@H](C)[NH2+]C2)c(C)cc1Br ZINC000599605260 565692178 /nfs/dbraw/zinc/69/21/78/565692178.db2.gz XRIXMBQTAWOLBS-QWRGUYRKSA-N 1 0 384.274 2.806 20 0 GFADRO CCOC(=O)c1c(NC(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)sc2c1CCSC2 ZINC000599603905 565692206 /nfs/dbraw/zinc/69/22/06/565692206.db2.gz XCHAMTFPNIRCAD-WDEREUQCSA-N 1 0 383.539 2.976 20 0 GFADRO O=C(NC[C@@H]1CCCC[NH2+]1)N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000669553906 565692174 /nfs/dbraw/zinc/69/21/74/565692174.db2.gz QZGIJSZCWLZHKW-XHDPSFHLSA-N 1 0 385.295 2.540 20 0 GFADRO CC[C@@]1(C(=O)N[C@H]2CCN(c3ccc(Br)c(C)c3)C2=O)CCC[NH2+]1 ZINC000648164015 565692337 /nfs/dbraw/zinc/69/23/37/565692337.db2.gz QNQATSDRGOMMJW-YJBOKZPZSA-N 1 0 394.313 2.511 20 0 GFADRO COC(=O)c1c(Br)ccc(NC(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)c1C ZINC000599607222 565692432 /nfs/dbraw/zinc/69/24/32/565692432.db2.gz UIAKVFWUGOPAMI-MWLCHTKSSA-N 1 0 384.274 2.806 20 0 GFADRO O=C(NCC[NH2+]C1CC1)N[C@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O ZINC000669569040 565693374 /nfs/dbraw/zinc/69/33/74/565693374.db2.gz WIFZXYFZVGXRBZ-AWEZNQCLSA-N 1 0 385.295 2.540 20 0 GFADRO CCCOC[C@@H](Cc1cccc(Br)c1)NC(=O)NC/C=C/C[NH3+] ZINC000669563505 565693590 /nfs/dbraw/zinc/69/35/90/565693590.db2.gz RMHTVADTVOCNMH-QDLOVBKTSA-N 1 0 384.318 2.601 20 0 GFADRO CCCN(C(=O)N[C@@H]1COc2cc(F)c(Br)cc21)[C@@H]1CC[NH2+]C1 ZINC000669581101 565694240 /nfs/dbraw/zinc/69/42/40/565694240.db2.gz MBKPSWJXPZPIFZ-QMTHXVAHSA-N 1 0 386.265 2.805 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CN(C(=O)N[C@H]2c3cccc(Br)c3CC2(C)C)CCO1 ZINC000669590346 565694319 /nfs/dbraw/zinc/69/43/19/565694319.db2.gz MXSKEDKFVQWPSA-UVBJJODRSA-N 1 0 396.329 2.830 20 0 GFADRO C[C@H](NC(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1)c1ncc(Br)cn1 ZINC000669591096 565694456 /nfs/dbraw/zinc/69/44/56/565694456.db2.gz IWSHQJZBNVJCSK-BFHYXJOUSA-N 1 0 396.333 2.721 20 0 GFADRO C[C@H](CC(=O)NCC[N@H+](C)Cc1ccccc1)n1cc(Br)cn1 ZINC000648255374 565697783 /nfs/dbraw/zinc/69/77/83/565697783.db2.gz ZTLNZQRBIWEKOV-CQSZACIVSA-N 1 0 379.302 2.845 20 0 GFADRO CS(=O)(=O)NC[C@H]1CCC[C@H]1[NH2+]Cc1c(Cl)cccc1OC(F)F ZINC000669686542 565699052 /nfs/dbraw/zinc/69/90/52/565699052.db2.gz NAOKWTUZMQSFFO-ZWNOBZJWSA-N 1 0 382.860 2.749 20 0 GFADRO CS[C@H]1CN(C(=O)c2cc(O)cc(Br)c2)C[C@@H]1[NH+]1CCCC1 ZINC000599761939 565700293 /nfs/dbraw/zinc/70/02/93/565700293.db2.gz LXAUILYGNGRQQK-GJZGRUSLSA-N 1 0 385.327 2.807 20 0 GFADRO O=S(=O)(NCC[NH2+][C@@H]1CCCc2cccnc21)c1ccc(F)cc1Cl ZINC000669852000 565705872 /nfs/dbraw/zinc/70/58/72/565705872.db2.gz NKMAGWSEIPTTRV-OAHLLOKOSA-N 1 0 383.876 2.820 20 0 GFADRO O=C(CSCc1ccc(Cl)cc1Cl)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000599937313 565706493 /nfs/dbraw/zinc/70/64/93/565706493.db2.gz HIFCFNDHBCGAHZ-HUUCEWRRSA-N 1 0 389.348 2.894 20 0 GFADRO CSc1ccc(NC(=O)C(=O)NCCC2=CC[NH2+]CC2)cc1Br ZINC000626839822 565712233 /nfs/dbraw/zinc/71/22/33/565712233.db2.gz SLQQYDLJEKMKJO-UHFFFAOYSA-N 1 0 398.326 2.536 20 0 GFADRO C[C@H]1CC[C@H](NC(=O)C(=O)Nc2ccc(Br)c3ccccc23)C[NH2+]1 ZINC000626891169 565714097 /nfs/dbraw/zinc/71/40/97/565714097.db2.gz ULUQGXNJUCLJNK-RYUDHWBXSA-N 1 0 390.281 2.798 20 0 GFADRO C[C@H]1CC[C@H](NC(=O)C(=O)Nc2ccc(-c3ccc(Cl)s3)nc2)C[NH2+]1 ZINC000626891655 565714162 /nfs/dbraw/zinc/71/41/62/565714162.db2.gz AQUNBUGSGZCKDA-QWRGUYRKSA-N 1 0 378.885 2.659 20 0 GFADRO O=C(NC[C@@H]1C[N@@H+]2CCN1CCC2)c1cc2cc(Br)ccc2s1 ZINC000626927027 565714842 /nfs/dbraw/zinc/71/48/42/565714842.db2.gz RKQCCEGBJSAFCS-CQSZACIVSA-N 1 0 394.338 2.784 20 0 GFADRO O=C1CCCN1C[C@@H](O)C[NH2+][C@H]1CCCCc2cc(Br)ccc21 ZINC000670155062 565716416 /nfs/dbraw/zinc/71/64/16/565716416.db2.gz HKMBRTQDZYOZJY-RDJZCZTQSA-N 1 0 381.314 2.790 20 0 GFADRO C[C@H](CNC(=O)NCCOCCC[NH3+])Sc1ccc(Br)cc1 ZINC000626974495 565716829 /nfs/dbraw/zinc/71/68/29/565716829.db2.gz HULOVLPCATZETO-GFCCVEGCSA-N 1 0 390.347 2.594 20 0 GFADRO C[C@@H](CNC(=O)N[C@H]1CC[NH2+]C12CCC2)Oc1ccccc1Br ZINC000626993365 565717569 /nfs/dbraw/zinc/71/75/69/565717569.db2.gz GFDQSIOQAVVNNT-WFASDCNBSA-N 1 0 382.302 2.800 20 0 GFADRO C[NH2+]CCOCCNC(=O)NCCOc1c(Cl)cc(Cl)cc1Cl ZINC000626995739 565718182 /nfs/dbraw/zinc/71/81/82/565718182.db2.gz WRQKIDSSRGRBIM-UHFFFAOYSA-N 1 0 384.691 2.561 20 0 GFADRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@H](C)[C@@H](OC)c1ccc(Br)cc1 ZINC000627010244 565718886 /nfs/dbraw/zinc/71/88/86/565718886.db2.gz XQDKAQLTZCJCGY-MSQAHXEGSA-N 1 0 384.318 2.965 20 0 GFADRO CC[C@@H](NC(=O)NCCOCCC[NH3+])c1cc(F)cc(Br)c1 ZINC000627016488 565719656 /nfs/dbraw/zinc/71/96/56/565719656.db2.gz PCGXNXOCVBZQGP-CQSZACIVSA-N 1 0 376.270 2.704 20 0 GFADRO C[C@H]1CC[C@@H](NC(=O)NCCc2c[nH]c3cccc(Br)c23)C[NH2+]1 ZINC000627037759 565720428 /nfs/dbraw/zinc/72/04/28/565720428.db2.gz BSCFXKVYLQPNPE-WCQYABFASA-N 1 0 379.302 2.913 20 0 GFADRO Cc1cc2cc(C(=O)NC[C@H]3C[N@@H+]4CCN3CCC4)oc2c(Br)c1 ZINC000670407713 565721760 /nfs/dbraw/zinc/72/17/60/565721760.db2.gz YFNUZUVIGAHAML-AWEZNQCLSA-N 1 0 392.297 2.623 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)NCC/C=C\c2ccc(Br)cc2)CCCO1 ZINC000627122959 565722284 /nfs/dbraw/zinc/72/22/84/565722284.db2.gz MRIXOPOLTLSYOZ-RKLPNKIQSA-N 1 0 382.302 2.612 20 0 GFADRO O=C(N[C@@H]1CC[NH2+]C12CCC2)N1CCOC[C@@H]1c1ccc(Br)cc1 ZINC000627127071 565722303 /nfs/dbraw/zinc/72/23/03/565722303.db2.gz RUBPWXUYMLZGGY-HZPDHXFCSA-N 1 0 394.313 2.817 20 0 GFADRO CC[C@@H](Cc1ccccc1Br)C(=O)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000670408326 565722739 /nfs/dbraw/zinc/72/27/39/565722739.db2.gz MCNWQJKTOHEFFG-RDJZCZTQSA-N 1 0 394.357 2.524 20 0 GFADRO CC(C)(COc1ncccc1Br)NC(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000627130083 565722799 /nfs/dbraw/zinc/72/27/99/565722799.db2.gz HRSWTXAXWKYOQQ-ZDUSSCGKSA-N 1 0 397.317 2.585 20 0 GFADRO CN(CCOCC[NH3+])C(=O)N[C@H]1CCCCc2cc(Br)ccc21 ZINC000627117937 565722860 /nfs/dbraw/zinc/72/28/60/565722860.db2.gz MILMNCCPZJRQCN-INIZCTEOSA-N 1 0 384.318 2.833 20 0 GFADRO CC(C)C[NH+]1CCN(C(=O)c2c3ccc(Br)cc3nn2C)CC1 ZINC000648719109 565723212 /nfs/dbraw/zinc/72/32/12/565723212.db2.gz XSMNRHIBQIIOAR-UHFFFAOYSA-N 1 0 379.302 2.750 20 0 GFADRO Cn1nc2cc(Br)ccc2c1C(=O)NCCC[NH+]1CCCCC1 ZINC000648718144 565723352 /nfs/dbraw/zinc/72/33/52/565723352.db2.gz RTYUVCHINVHSPZ-UHFFFAOYSA-N 1 0 379.302 2.942 20 0 GFADRO C[C@@H](Sc1cc(Cl)ccc1Cl)C(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000670447285 565724262 /nfs/dbraw/zinc/72/42/62/565724262.db2.gz PSKBMKHEBUYJOH-TZMCWYRMSA-N 1 0 388.364 2.980 20 0 GFADRO COCCN(Cc1cc(Br)cs1)C(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000627201572 565725674 /nfs/dbraw/zinc/72/56/74/565725674.db2.gz BPQCIYBTLCFZQM-AAEUAGOBSA-N 1 0 390.347 2.809 20 0 GFADRO C[C@@H](CNC(=O)c1c2ccc(Br)cc2nn1C)C[NH+]1CCCC1 ZINC000648740735 565726489 /nfs/dbraw/zinc/72/64/89/565726489.db2.gz OZMMOSKKYNPPHW-LBPRGKRZSA-N 1 0 379.302 2.798 20 0 GFADRO Cc1nc(-c2cc3c(s2)CCN(C(=O)NCCOCCC[NH3+])C3)cs1 ZINC000627214987 565726954 /nfs/dbraw/zinc/72/69/54/565726954.db2.gz CLOMWBUCEDNQFO-UHFFFAOYSA-N 1 0 380.539 2.613 20 0 GFADRO Cn1nccc1[C@@H]1C[C@H]([NH2+]Cc2cc3c(c(Br)c2)OCO3)CCO1 ZINC000648783451 565728884 /nfs/dbraw/zinc/72/88/84/565728884.db2.gz XOWSIKGCMMSVDW-DOMZBBRYSA-N 1 0 394.269 2.921 20 0 GFADRO O=C(c1cc(Cl)cc(Br)c1F)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000627264028 565730656 /nfs/dbraw/zinc/73/06/56/565730656.db2.gz MXJROGXBQUJYKJ-MNOVXSKESA-N 1 0 391.668 2.523 20 0 GFADRO C[C@H](NC(=O)C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1)c1cc(F)c(Cl)cc1Cl ZINC000627292203 565731899 /nfs/dbraw/zinc/73/18/99/565731899.db2.gz OLAQHJOZQAIDFA-UTLUCORTSA-N 1 0 376.259 2.566 20 0 GFADRO CCc1nn(C)cc1C[NH2+]C[C@H](CO)Cc1cc(Br)ccc1OC ZINC000648815235 565732739 /nfs/dbraw/zinc/73/27/39/565732739.db2.gz RRWYJBRKNMLETQ-CYBMUJFWSA-N 1 0 396.329 2.694 20 0 GFADRO Cc1cc(C)c(C(=O)NCCC[N@@H+](C)CCN(C)C)c(C)c1Br ZINC000627321545 565733016 /nfs/dbraw/zinc/73/30/16/565733016.db2.gz QXHQBSKBJYYBHJ-UHFFFAOYSA-N 1 0 384.362 2.988 20 0 GFADRO C[C@H](NC(=O)c1c2ccc(Br)cc2nn1C)C1=CC[N@H+](C)CC1 ZINC000648856941 565734193 /nfs/dbraw/zinc/73/41/93/565734193.db2.gz GKFROVWGANXRBU-NSHDSACASA-N 1 0 377.286 2.716 20 0 GFADRO Cn1nc2cc(Br)ccc2c1C(=O)N1CCC[C@@H]([NH+](C)C)CC1 ZINC000648880417 565736162 /nfs/dbraw/zinc/73/61/62/565736162.db2.gz JRKJUSRTTWHVFW-CYBMUJFWSA-N 1 0 379.302 2.892 20 0 GFADRO Cn1ncc(Br)c1C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000648888533 565737715 /nfs/dbraw/zinc/73/77/15/565737715.db2.gz QJNUIZSSTARBOS-HNNXBMFYSA-N 1 0 391.313 2.825 20 0 GFADRO CCc1nccn1[C@@H](C)CC(=O)Nc1nnc2ccc(Br)cn21 ZINC000648918918 565739689 /nfs/dbraw/zinc/73/96/89/565739689.db2.gz VRESYKJUDVVVQX-JTQLQIEISA-N 1 0 377.246 2.841 20 0 GFADRO CCCN(C(=O)c1c2ccc(Br)cc2nn1C)[C@@H]1CC[N@H+](C)C1 ZINC000648995471 565744410 /nfs/dbraw/zinc/74/44/10/565744410.db2.gz XTWOOCNGARELEN-CYBMUJFWSA-N 1 0 379.302 2.892 20 0 GFADRO C[NH+](C)[C@@H]1[C@H]2CN(C(=O)c3cc(Br)cc(N4CCCC4)c3)C[C@H]21 ZINC000627656858 565745192 /nfs/dbraw/zinc/74/51/92/565745192.db2.gz ZTVFODYZXABPSR-FVQHAEBGSA-N 1 0 378.314 2.681 20 0 GFADRO Cc1ccc(CC(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)c(Br)c1 ZINC000649140628 565750350 /nfs/dbraw/zinc/75/03/50/565750350.db2.gz DFTOTFPJPVYDPV-MRXNPFEDSA-N 1 0 381.314 2.670 20 0 GFADRO CC(C)[NH2+][C@@H]1CCCN(C(=O)c2c3ccc(Br)cc3nn2C)C1 ZINC000649210821 565754019 /nfs/dbraw/zinc/75/40/19/565754019.db2.gz NZZQTHODBFPKCQ-CYBMUJFWSA-N 1 0 379.302 2.938 20 0 GFADRO Cc1cc(Br)ccc1CNC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000600882081 565754308 /nfs/dbraw/zinc/75/43/08/565754308.db2.gz FYSLLWZBTLMRCB-KRWDZBQOSA-N 1 0 398.345 2.914 20 0 GFADRO O[C@@H]1CCC[C@@H]1[NH+]1CCN(c2ncc(Br)cc2C(F)(F)F)CC1 ZINC000649267933 565756796 /nfs/dbraw/zinc/75/67/96/565756796.db2.gz KXTJTOQBZOYLKU-QWHCGFSZSA-N 1 0 394.235 2.898 20 0 GFADRO CS(=O)(=O)c1cc(CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)cc(C(F)(F)F)c1 ZINC000671300529 565761087 /nfs/dbraw/zinc/76/10/87/565761087.db2.gz OPBLMMNSPNSWAB-GJZGRUSLSA-N 1 0 376.444 2.825 20 0 GFADRO CNS(=O)(=O)Cc1ccc(C[NH2+][C@@H](C)c2cnc(OC)c(Cl)c2)cc1 ZINC000671295279 565761139 /nfs/dbraw/zinc/76/11/39/565761139.db2.gz UKAFRUKMSMUGIS-LBPRGKRZSA-N 1 0 383.901 2.644 20 0 GFADRO C[NH+](C)CCn1cc(NC(=O)N2CCc3ccc(Br)cc3C2)cn1 ZINC000671517324 565772483 /nfs/dbraw/zinc/77/24/83/565772483.db2.gz JNYPXFNXZRQDDE-UHFFFAOYSA-N 1 0 392.301 2.797 20 0 GFADRO C[C@@H](Oc1cccc(Br)c1)C(=O)N1CCC([NH+]2CCOCC2)CC1 ZINC000628125248 565774901 /nfs/dbraw/zinc/77/49/01/565774901.db2.gz QUFYBXQDZHAALK-CQSZACIVSA-N 1 0 397.313 2.540 20 0 GFADRO O=C(CCc1cccc(Br)c1)N1CCC([NH+]2CCOCC2)CC1 ZINC000628128727 565776287 /nfs/dbraw/zinc/77/62/87/565776287.db2.gz UQQZSXWOHBQLST-UHFFFAOYSA-N 1 0 381.314 2.705 20 0 GFADRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+]Cc1cc2c(cc1Br)OCCCO2 ZINC000671627978 565776689 /nfs/dbraw/zinc/77/66/89/565776689.db2.gz XEWCHRCPBAXOCM-TZMCWYRMSA-N 1 0 383.286 2.615 20 0 GFADRO Cc1cc(CN2CCN(C[C@H]3CCCC[N@H+]3C)CC2)ncc1Br ZINC000628164254 565777379 /nfs/dbraw/zinc/77/73/79/565777379.db2.gz JUPDTRXNRLMTBW-QGZVFWFLSA-N 1 0 381.362 2.754 20 0 GFADRO O[C@H](COc1cc(Cl)ccc1Cl)C[NH+]1CCC(Cn2cnnc2)CC1 ZINC000649789255 565778872 /nfs/dbraw/zinc/77/88/72/565778872.db2.gz QXCGSEFTQPOLMB-HNNXBMFYSA-N 1 0 385.295 2.737 20 0 GFADRO O[C@@H](COc1ccc(Cl)cc1Cl)C[NH+]1CCC(Cn2cnnc2)CC1 ZINC000649789114 565779001 /nfs/dbraw/zinc/77/90/01/565779001.db2.gz MDEAGGOBHDTWGO-OAHLLOKOSA-N 1 0 385.295 2.737 20 0 GFADRO O[C@@H](COc1cc(Cl)ccc1Cl)C[NH+]1CCC(Cn2cnnc2)CC1 ZINC000649789256 565779525 /nfs/dbraw/zinc/77/95/25/565779525.db2.gz QXCGSEFTQPOLMB-OAHLLOKOSA-N 1 0 385.295 2.737 20 0 GFADRO Cc1ncsc1CCS(=O)(=O)N1CC[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC000649810834 565779547 /nfs/dbraw/zinc/77/95/47/565779547.db2.gz HDBHWGZJARRDCM-KRWDZBQOSA-N 1 0 379.551 2.530 20 0 GFADRO Cc1cc(CN(C)[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)ncc1Br ZINC000628279173 565782257 /nfs/dbraw/zinc/78/22/57/565782257.db2.gz YEFKCINRTRMGQS-QGZVFWFLSA-N 1 0 381.362 2.753 20 0 GFADRO CS[C@H]1CN(C(=O)c2c(F)cncc2Br)C[C@@H]1[NH+]1CCCC1 ZINC000601437861 565784310 /nfs/dbraw/zinc/78/43/10/565784310.db2.gz WEHPIERGAULMCC-STQMWFEESA-N 1 0 388.306 2.635 20 0 GFADRO CS(=O)(=O)N1CCC[C@H](C[NH2+]C2(c3ccc(C(F)(F)F)cc3)CC2)C1 ZINC000649886173 565784573 /nfs/dbraw/zinc/78/45/73/565784573.db2.gz PXLMWECNDLPPMM-CYBMUJFWSA-N 1 0 376.444 2.956 20 0 GFADRO O=c1cc(C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)nc2ccc(Br)cn12 ZINC000649974961 565790110 /nfs/dbraw/zinc/79/01/10/565790110.db2.gz MBCCWFLOVWIVEK-KBRIMQKVSA-N 1 0 390.281 2.504 20 0 GFADRO C[C@H]1C[C@@H]([NH3+])CN1C(=O)Nc1ccc(Cl)cc1I ZINC000601557463 565791611 /nfs/dbraw/zinc/79/16/11/565791611.db2.gz BEAMISZUYCMWSD-IONNQARKSA-N 1 0 379.629 2.898 20 0 GFADRO O=C(c1ccc(F)cc1I)N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000601559563 565792244 /nfs/dbraw/zinc/79/22/44/565792244.db2.gz UVTNSYKJAVTHHY-HZMBPMFUSA-N 1 0 388.224 2.644 20 0 GFADRO O=C(c1csc(I)c1)N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000601560397 565792527 /nfs/dbraw/zinc/79/25/27/565792527.db2.gz XENWXPNLGCODAA-GXSJLCMTSA-N 1 0 376.263 2.567 20 0 GFADRO C[C@@H]1[C@@H](C)[N@@H+](C)C[C@H](C)N1C(=O)CCNC(=O)c1ccc(Br)cc1 ZINC000650145785 565799414 /nfs/dbraw/zinc/79/94/14/565799414.db2.gz QOFXDOOGQBQIOK-BFHYXJOUSA-N 1 0 396.329 2.509 20 0 GFADRO C[C@H]1C[C@@H](C(=O)N[C@@]2(CO)CCc3cc(Br)ccc3C2)CC[N@@H+]1C ZINC000628683299 565804240 /nfs/dbraw/zinc/80/42/40/565804240.db2.gz SYDPGZPGICIXIV-RFUYNDQBSA-N 1 0 395.341 2.515 20 0 GFADRO C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)NC[C@H]1CCCC[N@H+](C)C1 ZINC000628746115 565806250 /nfs/dbraw/zinc/80/62/50/565806250.db2.gz WVUZHEUPPFGQHG-CHWSQXEVSA-N 1 0 386.323 2.960 20 0 GFADRO CNC(=O)c1cccc(NC(=O)N2CCC[C@@H]([NH2+]C(C)C)C2)c1Br ZINC000672834014 565819699 /nfs/dbraw/zinc/81/96/99/565819699.db2.gz CLJFRADXDZDTII-GFCCVEGCSA-N 1 0 397.317 2.803 20 0 GFADRO C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc4[nH]cc(I)c4c3)[C@@H]2C1 ZINC000602157758 565826610 /nfs/dbraw/zinc/82/66/10/565826610.db2.gz CPDAMWNUQXOLCQ-XHDPSFHLSA-N 1 0 395.244 2.549 20 0 GFADRO O=C(N[C@H]1C[C@@H]([NH+]2CCCC2)C1)c1ccc(F)cc1I ZINC000602170932 565828185 /nfs/dbraw/zinc/82/81/85/565828185.db2.gz KISKZQSRONMFQX-TXEJJXNPSA-N 1 0 388.224 2.787 20 0 GFADRO O=C(CCSc1ccc(Br)cc1)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000673515964 565838764 /nfs/dbraw/zinc/83/87/64/565838764.db2.gz MEOZWAGWOKVBQV-LSDHHAIUSA-N 1 0 399.354 2.599 20 0 GFADRO Cc1c2cc(Br)ccc2oc1C(=O)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000673519002 565838843 /nfs/dbraw/zinc/83/88/43/565838843.db2.gz SIFLWCRXPTVBCV-UONOGXRCSA-N 1 0 393.281 2.785 20 0 GFADRO CCOCCC[N@@H+]1CC[C@H](NS(=O)(=O)Cc2cccc(Cl)c2)[C@@H](C)C1 ZINC000673563592 565841005 /nfs/dbraw/zinc/84/10/05/565841005.db2.gz JSMHBUZHQXZRFE-YJBOKZPZSA-N 1 0 388.961 2.896 20 0 GFADRO Cc1cc(C(=O)N[C@H]2CCC[NH2+]C2)c(I)cc1Cl ZINC000602424927 565847547 /nfs/dbraw/zinc/84/75/47/565847547.db2.gz NDDBBKICSRPOHW-VIFPVBQESA-N 1 0 378.641 2.735 20 0 GFADRO C[C@H](NC(=O)C1([S@@](C)=O)CC[NH2+]CC1)c1cc(F)c(Cl)cc1Cl ZINC000602431278 565847793 /nfs/dbraw/zinc/84/77/93/565847793.db2.gz CKKLKTUOXMHCOT-YGWIHHTISA-N 1 0 381.300 2.810 20 0 GFADRO Cc1ccc(-c2csc(NC(=O)C3([S@@](C)=O)CC[NH2+]CC3)n2)c(C)c1 ZINC000602436064 565847926 /nfs/dbraw/zinc/84/79/26/565847926.db2.gz UQRBZJJBQUUVDB-RUZDIDTESA-N 1 0 377.535 2.866 20 0 GFADRO CN(C)S(=O)(=O)N1CCCC[C@H]1C[NH2+]Cc1ccc(C(F)(F)F)s1 ZINC000673874539 565851307 /nfs/dbraw/zinc/85/13/07/565851307.db2.gz DVIXREUBNDERQM-NSHDSACASA-N 1 0 385.477 2.517 20 0 GFADRO C[C@H](NC(=O)CN1CC[NH+](C(C)(C)CO)CC1)c1ccc(Cl)c(Cl)c1 ZINC000673897258 565852387 /nfs/dbraw/zinc/85/23/87/565852387.db2.gz XTICIYAWYYSYSZ-ZDUSSCGKSA-N 1 0 388.339 2.559 20 0 GFADRO [NH3+]C[C@@H]1CCCn2ncc(C(=O)NCc3ccc(Br)c(F)c3F)c21 ZINC000602544173 565854303 /nfs/dbraw/zinc/85/43/03/565854303.db2.gz IQIQBANRNYJSIX-VIFPVBQESA-N 1 0 399.239 2.690 20 0 GFADRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)c1cc(Cl)ccc1I ZINC000602542926 565854320 /nfs/dbraw/zinc/85/43/20/565854320.db2.gz AYPPITIXRNXOEH-NWDGAFQWSA-N 1 0 378.641 2.815 20 0 GFADRO CN(C(=O)[C@H]1CCOc2ccc(Br)cc21)[C@H]1C[NH+]2CCC1CC2 ZINC000651307782 565855067 /nfs/dbraw/zinc/85/50/67/565855067.db2.gz PVNYOVFZSSVJOC-HOCLYGCPSA-N 1 0 379.298 2.868 20 0 GFADRO [NH3+]C[C@H]1CC[C@H](NC(=O)c2ccc(F)cc2I)CC1 ZINC000602599507 565856407 /nfs/dbraw/zinc/85/64/07/565856407.db2.gz QRFUMFUXPMKSEI-HOMQSWHASA-N 1 0 376.213 2.678 20 0 GFADRO C[N@@H+]1CC[C@@H](Cn2nnnc2Sc2ccc(-c3ccc(Cl)s3)nn2)C1 ZINC000651333096 565857392 /nfs/dbraw/zinc/85/73/92/565857392.db2.gz YIXTXUOZZPDPAK-SNVBAGLBSA-N 1 0 393.929 2.948 20 0 GFADRO O=C1Nc2ccc(Br)cc2CC[C@@H]1N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000629538275 565857794 /nfs/dbraw/zinc/85/77/94/565857794.db2.gz TUOHAYRVJAHYCI-FUHWJXTLSA-N 1 0 378.314 2.778 20 0 GFADRO CCN(CC[NH3+])[C@@H](C)C(=O)Nc1ccc(Br)cc1Br ZINC000629555968 565858956 /nfs/dbraw/zinc/85/89/56/565858956.db2.gz QKXPEMRPLJOYID-VIFPVBQESA-N 1 0 393.123 2.819 20 0 GFADRO Cc1ccc(S(=O)(=O)CCCN2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1 ZINC000629561918 565859170 /nfs/dbraw/zinc/85/91/70/565859170.db2.gz KLYMXOJNJBCENQ-HOCLYGCPSA-N 1 0 378.460 2.618 20 0 GFADRO C[NH+](C)CCOc1ccc(NC(=O)c2coc(S(C)(=O)=O)c2)cc1Cl ZINC000651350782 565859801 /nfs/dbraw/zinc/85/98/01/565859801.db2.gz BNQMJRFLJMDYON-UHFFFAOYSA-N 1 0 386.857 2.529 20 0 GFADRO COC(=O)c1csc(C[N@@H+]2CCC[C@H](CNC(=O)CC(F)(F)F)C2)c1 ZINC000602648963 565860027 /nfs/dbraw/zinc/86/00/27/565860027.db2.gz FVMHRMZCYYARAN-LLVKDONJSA-N 1 0 378.416 2.815 20 0 GFADRO O[C@@H](C[NH2+]C[C@@H]1Cc2ccccc2CO1)COc1ccc(Br)cc1 ZINC000629587286 565860651 /nfs/dbraw/zinc/86/06/51/565860651.db2.gz GRUGMDZWBBELTA-HKUYNNGSSA-N 1 0 392.293 2.920 20 0 GFADRO CCOC(=O)c1ccc(C[NH2+][C@@](C)(CO)c2ccc(Br)cc2)[nH]1 ZINC000602662525 565860985 /nfs/dbraw/zinc/86/09/85/565860985.db2.gz OYUCTAGHCVDGAG-KRWDZBQOSA-N 1 0 381.270 2.951 20 0 GFADRO CC(C)CC[C@H](CO)[NH2+]C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000629591410 565861788 /nfs/dbraw/zinc/86/17/88/565861788.db2.gz IAFVOZOUMKPDHW-CABCVRRESA-N 1 0 378.282 2.715 20 0 GFADRO O[C@@H](C[NH2+]C[C@@H]1CCN1C1CCCC1)COc1cccc(Br)c1 ZINC000629603898 565863939 /nfs/dbraw/zinc/86/39/39/565863939.db2.gz QLGOZCABRBVYHS-IRXDYDNUSA-N 1 0 383.330 2.795 20 0 GFADRO O=C1C[C@H]([NH2+]Cc2cc(Cl)ccc2I)CCCN1 ZINC000602706515 565864031 /nfs/dbraw/zinc/86/40/31/565864031.db2.gz PBTJLSWSOOEVFZ-LLVKDONJSA-N 1 0 378.641 2.703 20 0 GFADRO O[C@@H]1CC[N@@H+](C2CN(c3ccc4cc(Br)cc(Cl)c4n3)C2)C1 ZINC000651451701 565864436 /nfs/dbraw/zinc/86/44/36/565864436.db2.gz SROALNIUOKBXDK-CYBMUJFWSA-N 1 0 382.689 2.906 20 0 GFADRO C[C@@H]1C[NH+](CCCCNC(=O)c2nscc2Br)C[C@@H](C)O1 ZINC000651461054 565864722 /nfs/dbraw/zinc/86/47/22/565864722.db2.gz IHORRJSKOQFNBO-GHMZBOCLSA-N 1 0 376.320 2.525 20 0 GFADRO C[C@@H](C(=O)N1CCC(C(=O)Nc2ccccc2Br)CC1)[NH+](C)C ZINC000674287357 565866455 /nfs/dbraw/zinc/86/64/55/565866455.db2.gz OKUYPDVJGMZNML-LBPRGKRZSA-N 1 0 382.302 2.576 20 0 GFADRO Cc1cc(Br)sc1S(=O)(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000651520202 565867611 /nfs/dbraw/zinc/86/76/11/565867611.db2.gz RDYNVSIAGSAENR-MNOVXSKESA-N 1 0 379.345 2.724 20 0 GFADRO COC1CC[NH+](CCNC(=O)[C@H](C)Oc2cccc(Cl)c2Cl)CC1 ZINC000674324289 565868505 /nfs/dbraw/zinc/86/85/05/565868505.db2.gz CERFKMIBWIABIV-LBPRGKRZSA-N 1 0 375.296 2.988 20 0 GFADRO COC1CC[NH+](CCNC(=O)NCc2c(C)cc(Br)cc2C)CC1 ZINC000674326517 565868704 /nfs/dbraw/zinc/86/87/04/565868704.db2.gz FVLLUCQEXKMZKI-UHFFFAOYSA-N 1 0 398.345 2.976 20 0 GFADRO COc1ccc(Br)c(NC(=O)NCC[NH+]2CCC(OC)CC2)c1 ZINC000674316522 565868922 /nfs/dbraw/zinc/86/89/22/565868922.db2.gz JBYFRPLLAYNPJF-UHFFFAOYSA-N 1 0 386.290 2.690 20 0 GFADRO C[NH+](C)CCOc1ccccc1CNS(=O)(=O)Cc1ccc(Cl)cc1 ZINC000651541812 565869828 /nfs/dbraw/zinc/86/98/28/565869828.db2.gz JDWODKUBWKVVEQ-UHFFFAOYSA-N 1 0 382.913 2.900 20 0 GFADRO Cn1ncc(N2CCC(C[NH+]3CCCCCC3)CC2)c(Br)c1=O ZINC000602846937 565870792 /nfs/dbraw/zinc/87/07/92/565870792.db2.gz CRWIOOILIJVSPP-UHFFFAOYSA-N 1 0 383.334 2.635 20 0 GFADRO COCC[N@@H+]1CCC[C@H]1CNS(=O)(=O)Cc1cc(Cl)sc1Cl ZINC000651548227 565871119 /nfs/dbraw/zinc/87/11/19/565871119.db2.gz RRTVMQGKPOLZTR-NSHDSACASA-N 1 0 387.354 2.585 20 0 GFADRO C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2cc(Cl)c(Cl)c(Cl)c2)C1 ZINC000651568304 565873612 /nfs/dbraw/zinc/87/36/12/565873612.db2.gz HNEQQCOFZRYIED-VIFPVBQESA-N 1 0 378.687 2.995 20 0 GFADRO O=C(NCC[N@H+]1CC[C@H](O)C1)C1(c2ccccc2Br)CCCCC1 ZINC000629917055 565875536 /nfs/dbraw/zinc/87/55/36/565875536.db2.gz JZXKTIQRFYSJKD-HNNXBMFYSA-N 1 0 395.341 2.834 20 0 GFADRO O=S(=O)(c1ccc(Cl)c(F)c1)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000651586605 565876109 /nfs/dbraw/zinc/87/61/09/565876109.db2.gz GLCKZAJWMCZCKE-UHFFFAOYSA-N 1 0 390.908 2.745 20 0 GFADRO O=S(=O)(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1ccc(Cl)c(F)c1 ZINC000651605894 565878555 /nfs/dbraw/zinc/87/85/55/565878555.db2.gz YOOUIGKJOKPGID-IAGOWNOFSA-N 1 0 390.908 2.525 20 0 GFADRO C[NH2+]C1(CNC(=O)[C@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)CCC1 ZINC000629998571 565879795 /nfs/dbraw/zinc/87/97/95/565879795.db2.gz CNAPASKYEJYJMW-OAHLLOKOSA-N 1 0 384.307 2.856 20 0 GFADRO O[C@@H](C[N@@H+]1CC[C@@H](Cc2ccc(Br)cc2)C1)CC1(O)CCOCC1 ZINC000630046412 565880656 /nfs/dbraw/zinc/88/06/56/565880656.db2.gz LVWVEDPYTXSCJP-FUHWJXTLSA-N 1 0 398.341 2.606 20 0 GFADRO COc1nsc(C[NH2+]CC(C)(C)[C@@]2(O)CCCOC2)c1Br ZINC000630073461 565880672 /nfs/dbraw/zinc/88/06/72/565880672.db2.gz FSZJBIADEIMGBY-CQSZACIVSA-N 1 0 379.320 2.572 20 0 GFADRO O[C@H](C[N@@H+]1CC[C@@H](Cc2ccc(Br)cc2)C1)CC1(O)CCOCC1 ZINC000630046416 565880818 /nfs/dbraw/zinc/88/08/18/565880818.db2.gz LVWVEDPYTXSCJP-WMZOPIPTSA-N 1 0 398.341 2.606 20 0 GFADRO O[C@@H](C[N@@H+](Cc1cccc(Br)c1)CC1CC1)CC1(O)CCOCC1 ZINC000630039444 565880905 /nfs/dbraw/zinc/88/09/05/565880905.db2.gz DZYDDZHYXXIOLY-GOSISDBHSA-N 1 0 398.341 2.954 20 0 GFADRO O[C@@H](C[N@@H+]1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1)CC1(O)CCOCC1 ZINC000630036665 565881042 /nfs/dbraw/zinc/88/10/42/565881042.db2.gz GVVKCEWUWQQSRI-UKRRQHHQSA-N 1 0 390.307 2.739 20 0 GFADRO Cc1cc(NC(=O)c2nn(C)cc2I)ccc1C[NH+](C)C ZINC000603068886 565883704 /nfs/dbraw/zinc/88/37/04/565883704.db2.gz MLYNIWYONGSFPX-UHFFFAOYSA-N 1 0 398.248 2.647 20 0 GFADRO CC(C)Oc1cc(C(=O)NC2(CCO)CC[NH+](C)CC2)ccc1Br ZINC000651672949 565884412 /nfs/dbraw/zinc/88/44/12/565884412.db2.gz QPRXAFWTDSLKKT-UHFFFAOYSA-N 1 0 399.329 2.813 20 0 GFADRO C[C@@H](NC(=O)c1cc(=O)c2cc(Br)ccc2[nH]1)C1CC[NH+](C)CC1 ZINC000603320437 565898168 /nfs/dbraw/zinc/89/81/68/565898168.db2.gz IUEILFRGKYBIRD-LLVKDONJSA-N 1 0 392.297 2.751 20 0 GFADRO C[NH+]1CCN(CCCNC(=O)CCCc2cccc(Br)c2)CC1 ZINC000675434414 565902373 /nfs/dbraw/zinc/90/23/73/565902373.db2.gz NBZAJSONTFPEMF-UHFFFAOYSA-N 1 0 382.346 2.526 20 0 GFADRO COC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1cn(-c2ccc(Br)cc2)nc1C ZINC000651937538 565905286 /nfs/dbraw/zinc/90/52/86/565905286.db2.gz NJDHVEUSXWOPME-DLBZAZTESA-N 1 0 380.286 2.525 20 0 GFADRO Cc1nc(Cc2ccccc2)sc1[C@@H](C)[NH2+]CCCN(C)S(C)(=O)=O ZINC000675746937 565913529 /nfs/dbraw/zinc/91/35/29/565913529.db2.gz RRSOGXXZEUHSKO-CQSZACIVSA-N 1 0 381.567 2.974 20 0 GFADRO CCc1nc2c(s1)[C@H]([NH2+]Cc1ccc(CS(=O)(=O)NC)cc1)CCC2 ZINC000675764258 565915140 /nfs/dbraw/zinc/91/51/40/565915140.db2.gz HUYHYKOODRSUDO-OAHLLOKOSA-N 1 0 379.551 2.922 20 0 GFADRO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCN(C(=O)NCc3cccc(Br)c3)C2)C1 ZINC000652141847 565916539 /nfs/dbraw/zinc/91/65/39/565916539.db2.gz ALPKRGXYGMCZDF-DJIMGWMZSA-N 1 0 396.329 2.877 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(C(=O)NCc3cccc(Br)c3)C2)C1 ZINC000652141849 565916655 /nfs/dbraw/zinc/91/66/55/565916655.db2.gz ALPKRGXYGMCZDF-UAGQMJEPSA-N 1 0 396.329 2.877 20 0 GFADRO COc1ccc(Br)cc1CNC(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652142806 565916759 /nfs/dbraw/zinc/91/67/59/565916759.db2.gz CQKWKTRXUVEEFZ-GUYCJALGSA-N 1 0 382.302 2.728 20 0 GFADRO O=C(NCCCC[NH+]1CCOCC1)[C@H]1[C@@H]2c3ccc(Br)cc3C[C@H]12 ZINC000630750840 565918615 /nfs/dbraw/zinc/91/86/15/565918615.db2.gz HSELGOJCGZVOPV-RCCFBDPRSA-N 1 0 393.325 2.563 20 0 GFADRO CCO[C@@H]1CN(C(=O)N[C@H]2C[C@H](c3ccc(Br)cc3)C2)C[C@H]1C[NH3+] ZINC000652194330 565918594 /nfs/dbraw/zinc/91/85/94/565918594.db2.gz LQTANKDSGBKTBW-MUIFIZLQSA-N 1 0 396.329 2.700 20 0 GFADRO C[NH2+]Cc1ccccc1CNC(=O)N[C@H](C)c1ncc(Br)cn1 ZINC000652195037 565918624 /nfs/dbraw/zinc/91/86/24/565918624.db2.gz HLBJBVUTCZBLBD-LLVKDONJSA-N 1 0 378.274 2.519 20 0 GFADRO COc1c(Cl)cc(NC(=O)C(=O)N(C)CC[NH+]2CCCCC2)cc1Cl ZINC000652292921 565922194 /nfs/dbraw/zinc/92/21/94/565922194.db2.gz NUYPNDCEPCVEPK-UHFFFAOYSA-N 1 0 388.295 2.885 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N(C)CC[NH+]2CCCCC2)c(Br)c1 ZINC000652291889 565922338 /nfs/dbraw/zinc/92/23/38/565922338.db2.gz LZKOYDOWTXDEBC-UHFFFAOYSA-N 1 0 396.329 2.949 20 0 GFADRO COCC[NH2+]C1CCN(CC(=O)N[C@@H](C)c2ccc(Cl)c(Cl)c2)CC1 ZINC000652345260 565923302 /nfs/dbraw/zinc/92/33/02/565923302.db2.gz ISSZUHZFZOXHFU-ZDUSSCGKSA-N 1 0 388.339 2.871 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2CC(=O)Nc2ccc(Br)cc2)C1 ZINC000652360525 565924020 /nfs/dbraw/zinc/92/40/20/565924020.db2.gz KDZKHVDMNMBWJJ-PVAVHDDUSA-N 1 0 396.329 2.748 20 0 GFADRO CCO[C@@H]1CN(Cc2ncc(-c3ccc(Br)cc3)o2)C[C@H]1C[NH3+] ZINC000652356356 565924322 /nfs/dbraw/zinc/92/43/22/565924322.db2.gz DFMJUWAVOBUWIE-CZUORRHYSA-N 1 0 380.286 2.900 20 0 GFADRO CC(C)([NH2+]CC(=O)NC(=O)NCC(F)(F)F)c1ccc(Br)cc1 ZINC000604124844 565924462 /nfs/dbraw/zinc/92/44/62/565924462.db2.gz MVQWCGGNVTZZGO-UHFFFAOYSA-N 1 0 396.207 2.662 20 0 GFADRO O[C@H](COc1ccc(Cl)c(Cl)c1)C[N@@H+]1CCS[C@H]2COCC[C@H]21 ZINC000676053104 565924665 /nfs/dbraw/zinc/92/46/65/565924665.db2.gz XXJUNNMXZTWYNR-XZJROXQQSA-N 1 0 378.321 2.939 20 0 GFADRO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCN(S(=O)(=O)Cc3cc(Cl)ccc3F)C2)C1 ZINC000652374566 565925561 /nfs/dbraw/zinc/92/55/61/565925561.db2.gz VYWSSVAFMQHGTB-XGWLTEMNSA-N 1 0 390.908 2.527 20 0 GFADRO CC(C)(C)c1ccc(S(=O)(=O)N2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)s1 ZINC000652374570 565925591 /nfs/dbraw/zinc/92/55/91/565925591.db2.gz WCFQSMBBWKBGDS-ZNMIVQPWSA-N 1 0 386.583 2.953 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(S(=O)(=O)c3ccc(Cl)cc3Cl)C2)C1 ZINC000652374669 565925795 /nfs/dbraw/zinc/92/57/95/565925795.db2.gz XYUUWKGWDJBTRE-KYOSRNDESA-N 1 0 393.336 2.900 20 0 GFADRO C[C@@H]1CCCN(S(=O)(=O)c2cccc(Br)c2F)[C@H]1CC[NH3+] ZINC000652378070 565926445 /nfs/dbraw/zinc/92/64/45/565926445.db2.gz XXHCMQNSEUIJJK-PWSUYJOCSA-N 1 0 379.295 2.726 20 0 GFADRO C[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Br)cc2)[C@H]1CC[NH3+] ZINC000652377524 565926464 /nfs/dbraw/zinc/92/64/64/565926464.db2.gz JMCNFPRBAQXNQX-DOMZBBRYSA-N 1 0 375.332 2.728 20 0 GFADRO COc1cc(C(F)(F)F)cc(S(=O)(=O)N2CCC[C@@H](C)[C@H]2CC[NH3+])c1 ZINC000652377315 565926487 /nfs/dbraw/zinc/92/64/87/565926487.db2.gz DXCNMADXBCXLCO-IAQYHMDHSA-N 1 0 380.432 2.852 20 0 GFADRO C[C@@H]1CCCN(S(=O)(=O)c2ccc(OCC(F)(F)F)cc2)[C@@H]1CC[NH3+] ZINC000652378320 565926622 /nfs/dbraw/zinc/92/66/22/565926622.db2.gz GEGBNBFQGMAHGB-IUODEOHRSA-N 1 0 380.432 2.766 20 0 GFADRO CCOc1ccc(NC(=O)N2C[C@@H](C[NH3+])[C@H](OCC)C2)cc1Br ZINC000652596640 565934662 /nfs/dbraw/zinc/93/46/62/565934662.db2.gz GVLWGKSPPHTNFE-IAQYHMDHSA-N 1 0 386.290 2.675 20 0 GFADRO [NH3+]CC1(CCNC(=O)Nc2ccnn2Cc2ccc(Br)cc2)CC1 ZINC000652596952 565934840 /nfs/dbraw/zinc/93/48/40/565934840.db2.gz OLSJQZQFMMBNKM-UHFFFAOYSA-N 1 0 392.301 2.944 20 0 GFADRO CCO[C@@H]1CN(C(=O)Nc2cccc(Br)c2Cl)C[C@H]1C[NH3+] ZINC000652604415 565934905 /nfs/dbraw/zinc/93/49/05/565934905.db2.gz CBKXAMVOZYNXDS-BXKDBHETSA-N 1 0 376.682 2.930 20 0 GFADRO Cc1cc(S(=O)(=O)NCC[NH2+]Cc2nccc3ccccc32)c(C)s1 ZINC000676417696 565937151 /nfs/dbraw/zinc/93/71/51/565937151.db2.gz AGZXAPXRVBNHIO-UHFFFAOYSA-N 1 0 375.519 2.981 20 0 GFADRO CS(=O)(=O)NC[C@H]1CCCN(Cc2c(Cl)cccc2OC(F)F)C1 ZINC000676461253 565938184 /nfs/dbraw/zinc/93/81/84/565938184.db2.gz UFAJPWDEUFABQZ-LLVKDONJSA-N 1 0 382.860 2.703 20 0 GFADRO Cn1cc(N2CCC[C@@H]([NH2+]Cc3ncc(Br)cc3Cl)C2)cn1 ZINC000631079958 565938282 /nfs/dbraw/zinc/93/82/82/565938282.db2.gz VNAQIIOHCVPYBH-GFCCVEGCSA-N 1 0 384.709 2.990 20 0 GFADRO NC(=O)[C@@H](C[NH2+]Cc1ccncc1Br)Cc1ccccc1Cl ZINC000631107961 565941995 /nfs/dbraw/zinc/94/19/95/565941995.db2.gz JHLHHURMLSRNND-CYBMUJFWSA-N 1 0 382.689 2.931 20 0 GFADRO CC[C@@H]1C[N@H+](C)CCN1C(=O)Nc1ccc(S(C)(=O)=O)c(C(F)F)c1 ZINC000652829380 565942391 /nfs/dbraw/zinc/94/23/91/565942391.db2.gz ZGJPUJMJRKRVRG-GFCCVEGCSA-N 1 0 375.441 2.586 20 0 GFADRO CC[C@@H](Cc1cccc(Br)c1)C(=O)N[C@H]1CC[N@H+](CCOC)C1 ZINC000604976871 565942862 /nfs/dbraw/zinc/94/28/62/565942862.db2.gz HNASIFPYGLLLAN-RDJZCZTQSA-N 1 0 383.330 2.855 20 0 GFADRO CN(C)C(=O)CN1CC[NH+](CC/C=C\c2ccc(Br)cc2)CC1 ZINC000604996776 565943118 /nfs/dbraw/zinc/94/31/18/565943118.db2.gz GTOMFLVWUVDWSG-HYXAFXHYSA-N 1 0 380.330 2.558 20 0 GFADRO COC1CC[NH+](C(C)(C)CNC(=O)c2c(F)cncc2Br)CC1 ZINC000631147441 565944481 /nfs/dbraw/zinc/94/44/81/565944481.db2.gz FHPYWYRVOIPQFJ-UHFFFAOYSA-N 1 0 388.281 2.602 20 0 GFADRO CN(C)C(=O)N1CCC([NH2+][C@@H]2[C@@H]3Cc4c(cccc4Br)[C@@H]32)CC1 ZINC000631190400 565946518 /nfs/dbraw/zinc/94/65/18/565946518.db2.gz AOSDYTQWFVDSFT-HYVNUMGLSA-N 1 0 378.314 2.823 20 0 GFADRO CC(C)[C@@H](O)[C@H]([NH2+]Cc1ccc(Cl)c(S(N)(=O)=O)c1)c1ccccc1 ZINC000631179187 565946878 /nfs/dbraw/zinc/94/68/78/565946878.db2.gz ZTUAXNYTASKFPG-QZTJIDSGSA-N 1 0 382.913 2.835 20 0 GFADRO C[C@@H](NC(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O)c1cccc(Cl)c1Cl ZINC000605174972 565947655 /nfs/dbraw/zinc/94/76/55/565947655.db2.gz WZXJJDPFNNEAFK-BXUZGUMPSA-N 1 0 387.311 2.693 20 0 GFADRO CC[C@@H](C(=O)NCC(=O)Nc1ccc(Br)cc1C)[NH+](CC)CC ZINC000605367917 565949784 /nfs/dbraw/zinc/94/97/84/565949784.db2.gz QMXNHTZKAUNSGS-HNNXBMFYSA-N 1 0 384.318 2.933 20 0 GFADRO CCCC[N@H+](C)C[C@H](C)Nc1cccc(OC(F)(F)F)c1S(N)(=O)=O ZINC000631289604 565951841 /nfs/dbraw/zinc/95/18/41/565951841.db2.gz PTQTVAQPDAJAEB-NSHDSACASA-N 1 0 383.436 2.765 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)[C@@H]1CCC[NH2+]CC1 ZINC000653059117 565953024 /nfs/dbraw/zinc/95/30/24/565953024.db2.gz VMQSKJJLGGJILB-CYBMUJFWSA-N 1 0 382.302 2.544 20 0 GFADRO O=C(NC[C@H]1CCN(c2ccc(Br)cc2)C1)[C@H]1CCC[NH2+]CC1 ZINC000653112270 565955680 /nfs/dbraw/zinc/95/56/80/565955680.db2.gz SULNYGUGWGPYDO-CABCVRRESA-N 1 0 380.330 2.781 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)[C@@H]3CCOc4ccc(Br)cc43)C[C@H]21 ZINC000653129508 565956570 /nfs/dbraw/zinc/95/65/70/565956570.db2.gz YCTWWIIVPPCWFB-UIBBOPPKSA-N 1 0 379.298 2.901 20 0 GFADRO [NH3+]CC12CCC(CC1)CN2C(=O)C[C@H]1Sc2ccc(Cl)cc2NC1=O ZINC000653170137 565957241 /nfs/dbraw/zinc/95/72/41/565957241.db2.gz CHLFEVUNBFBERX-YSTGTXGZSA-N 1 0 379.913 2.873 20 0 GFADRO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCN(C(=O)Cc3ccc(Br)c(F)c3)C2)C1 ZINC000653182034 565957257 /nfs/dbraw/zinc/95/72/57/565957257.db2.gz MWLMBMMPSLZOAL-JJRVBVJISA-N 1 0 399.304 2.876 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)N[C@@H](CO)c2ccc(Br)cc2)c2nccn21 ZINC000653175621 565957423 /nfs/dbraw/zinc/95/74/23/565957423.db2.gz IAPBZZLIQYLYOK-HONMWMINSA-N 1 0 379.258 2.684 20 0 GFADRO COCC[NH2+]C1CCN(C(=O)[C@@H]2CCOc3ccc(Br)cc32)CC1 ZINC000653179969 565957566 /nfs/dbraw/zinc/95/75/66/565957566.db2.gz AOXHPPALJJBZAI-OAHLLOKOSA-N 1 0 397.313 2.542 20 0 GFADRO COCC[N@@H+]1CC[C@H](NC(=O)NCc2c(C)cc(Br)cc2C)C1 ZINC000605881285 565957868 /nfs/dbraw/zinc/95/78/68/565957868.db2.gz MNPXGKOYAVRFFK-HNNXBMFYSA-N 1 0 384.318 2.586 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(C(=O)c3c(F)cccc3Br)C2)C1 ZINC000653189482 565958266 /nfs/dbraw/zinc/95/82/66/565958266.db2.gz YFAVLUNUUOGRJQ-ZOWXZIJZSA-N 1 0 385.277 2.947 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(C(=O)c3ccc(Br)cc3F)C2)C1 ZINC000653191146 565958458 /nfs/dbraw/zinc/95/84/58/565958458.db2.gz SGVJWUYUEOEPGU-KFNAQCHYSA-N 1 0 385.277 2.947 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(C(=O)Cc3cccc(Br)c3)C2)C1 ZINC000653188617 565958502 /nfs/dbraw/zinc/95/85/02/565958502.db2.gz MSVSXIMOXNAEMK-UAGQMJEPSA-N 1 0 381.314 2.737 20 0 GFADRO [NH3+]C[C@]12CCC[C@H]1CN(C(=O)c1cc(=O)[nH]c3ccc(Br)cc31)C2 ZINC000653196346 565958606 /nfs/dbraw/zinc/95/86/06/565958606.db2.gz HJUHBIHHECXYNT-VOJFVSQTSA-N 1 0 390.281 2.904 20 0 GFADRO Cc1c(C(=O)NCCC2(C[NH3+])CC2)cnn1-c1cccc(Br)c1 ZINC000653219704 565959205 /nfs/dbraw/zinc/95/92/05/565959205.db2.gz NVJIDTQYMAUWOH-UHFFFAOYSA-N 1 0 377.286 2.802 20 0 GFADRO C[C@H]1CCCN(C(=O)CCNC(=O)c2ccc(Br)cc2)[C@@H]1CC[NH3+] ZINC000653233514 565959351 /nfs/dbraw/zinc/95/93/51/565959351.db2.gz XMAPOEZDCGNHLX-XJKSGUPXSA-N 1 0 396.329 2.545 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc(Br)c3nccn3c2)[C@@H](C)C1 ZINC000631466942 565959366 /nfs/dbraw/zinc/95/93/66/565959366.db2.gz SIBLJHYENCPMRP-WFASDCNBSA-N 1 0 379.302 2.899 20 0 GFADRO C[N@@H+]1CCC[C@H](NC(=O)[C@@H](c2cc(Cl)cc(Cl)c2)N2CCOCC2)C1 ZINC000677087609 565960430 /nfs/dbraw/zinc/96/04/30/565960430.db2.gz ZBDAJCACNOEHPZ-DLBZAZTESA-N 1 0 386.323 2.577 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+][C@H]2CCc3c2cccc3Br)s1 ZINC000677138279 565961744 /nfs/dbraw/zinc/96/17/44/565961744.db2.gz GVINTXYZEBTPLI-ZDUSSCGKSA-N 1 0 387.324 2.935 20 0 GFADRO C[NH+](C)[C@]1(CNC(=O)Cc2csc(CCC(F)(F)F)n2)CCSC1 ZINC000631618010 565963359 /nfs/dbraw/zinc/96/33/59/565963359.db2.gz ZCWVTPKRHACRIM-AWEZNQCLSA-N 1 0 381.489 2.734 20 0 GFADRO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCN(C(=O)c3ccc(Br)c(O)c3)C2)C1 ZINC000653348510 565964381 /nfs/dbraw/zinc/96/43/81/565964381.db2.gz JHGGURFMKWRDMP-XJKCOSOUSA-N 1 0 383.286 2.513 20 0 GFADRO CC(=O)N1CC[C@H](C[N@H+](C)C[C@@H](O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000677267704 565968164 /nfs/dbraw/zinc/96/81/64/565968164.db2.gz JBSLCXXXFZHYGH-ZIAGYGMSSA-N 1 0 375.296 2.533 20 0 GFADRO COc1ccc(Br)c(CNC(=O)N[C@H](C)C2CC[NH+](C)CC2)c1 ZINC000606647164 565968386 /nfs/dbraw/zinc/96/83/86/565968386.db2.gz MVIZNMZZDNSKMR-GFCCVEGCSA-N 1 0 384.318 2.987 20 0 GFADRO COC1CC[NH+](CCNCc2cn(-c3ccc(Cl)cc3Cl)nn2)CC1 ZINC000677322160 565970682 /nfs/dbraw/zinc/97/06/82/565970682.db2.gz POXQIWWQBRCNJG-UHFFFAOYSA-N 1 0 384.311 2.775 20 0 GFADRO CCC(CC)[C@@H](NS(=O)(=O)CCCN1CC[NH+](C)CC1)c1cccs1 ZINC000631781987 565975040 /nfs/dbraw/zinc/97/50/40/565975040.db2.gz YQZXMHWUADQKCC-GOSISDBHSA-N 1 0 387.615 2.782 20 0 GFADRO O=S(=O)(c1cscc1Br)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000631803896 565975998 /nfs/dbraw/zinc/97/59/98/565975998.db2.gz NWSLECMRLMTLEY-NSHDSACASA-N 1 0 379.345 2.760 20 0 GFADRO CC1CC[NH+](Cc2cccc(CNS(=O)(=O)c3c[nH]c(=O)s3)c2)CC1 ZINC000631882560 565980033 /nfs/dbraw/zinc/98/00/33/565980033.db2.gz FQJMXGQTFXRYNU-UHFFFAOYSA-N 1 0 381.523 2.559 20 0 GFADRO CN(CCC[NH2+][C@H]1CCc2c1cc(Br)cc2Cl)S(C)(=O)=O ZINC000677651553 565981024 /nfs/dbraw/zinc/98/10/24/565981024.db2.gz BDBZPBJZOSKUON-AWEZNQCLSA-N 1 0 395.750 2.961 20 0 GFADRO C[NH2+]C1CCN(S(=O)(=O)c2cc(Br)c(Cl)cc2C)CC1 ZINC000631904129 565982225 /nfs/dbraw/zinc/98/22/25/565982225.db2.gz FFJZFCSTRXPECQ-UHFFFAOYSA-N 1 0 381.723 2.783 20 0 GFADRO C[NH+](C)CCCCC(=O)Nc1cc(Br)ccc1N1CCOCC1 ZINC000607332393 565982537 /nfs/dbraw/zinc/98/25/37/565982537.db2.gz VSADKVGKWKGHJQ-UHFFFAOYSA-N 1 0 384.318 2.956 20 0 GFADRO O=S(=O)(c1cscc1Br)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000631908633 565982529 /nfs/dbraw/zinc/98/25/29/565982529.db2.gz VSNQHZDQJNEHNQ-JQWIXIFHSA-N 1 0 379.345 2.663 20 0 GFADRO COCC[C@@H](Cc1cccc(Br)c1)C(=O)NCC[NH+]1CCCC1 ZINC000607331864 565982983 /nfs/dbraw/zinc/98/29/83/565982983.db2.gz ISVUNZPQXMTOJS-INIZCTEOSA-N 1 0 383.330 2.856 20 0 GFADRO O=C(NCc1ccc(Cl)s1)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000607408306 565984035 /nfs/dbraw/zinc/98/40/35/565984035.db2.gz HCKYQFRLFVMZKS-GOSISDBHSA-N 1 0 379.913 2.838 20 0 GFADRO COCCOC[C@H](O)C[NH+]1CCN(c2cc(Cl)c(Cl)c(Cl)c2)CC1 ZINC000653883982 565986288 /nfs/dbraw/zinc/98/62/88/565986288.db2.gz LAKOLODTLQVZEV-CYBMUJFWSA-N 1 0 397.730 2.793 20 0 GFADRO COCC[N@@H+]1CCC[C@H](NC(=O)c2c[nH]c3cccc(Br)c23)C1 ZINC000677882906 565986771 /nfs/dbraw/zinc/98/67/71/565986771.db2.gz MPBGUHBPJZCDOL-LBPRGKRZSA-N 1 0 380.286 2.771 20 0 GFADRO O=C(Nc1cc(F)c(Br)c(Cl)c1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000654073822 565994524 /nfs/dbraw/zinc/99/45/24/565994524.db2.gz VUAKVLMNEFDNOP-VHSXEESVSA-N 1 0 392.656 2.524 20 0 GFADRO O=C(Nc1ccc(-c2ccc(Cl)s2)nc1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000654065831 565994626 /nfs/dbraw/zinc/99/46/26/565994626.db2.gz HTGLNZFPNBUYKH-QWHCGFSZSA-N 1 0 378.885 2.746 20 0 GFADRO Cc1cc(C(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c(C)cc1Br ZINC000678142931 566001601 /nfs/dbraw/zinc/00/16/01/566001601.db2.gz FBVJKHGSPMRXTK-SJORKVTESA-N 1 0 381.314 2.737 20 0 GFADRO C[NH+](C)CCCS(=O)(=O)N(Cc1csc(Br)c1)C1CC1 ZINC000632134142 566002579 /nfs/dbraw/zinc/00/25/79/566002579.db2.gz LWLCYSWNIVSDEK-UHFFFAOYSA-N 1 0 381.361 2.757 20 0 GFADRO COc1ccc(Br)c(CN2CCN([C@H]3CCC[N@H+](C)C3)CC2)c1 ZINC000678258927 566004037 /nfs/dbraw/zinc/00/40/37/566004037.db2.gz RZWSYVTUGNLUFR-INIZCTEOSA-N 1 0 382.346 2.670 20 0 GFADRO Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000654314856 566005332 /nfs/dbraw/zinc/00/53/32/566005332.db2.gz LPRFTUUCYVXAHR-RYUDHWBXSA-N 1 0 378.826 2.997 20 0 GFADRO COc1c(Br)cc(CN2C[C@@H]3C[NH2+]C[C@H]3C2)cc1Br ZINC000678342794 566007243 /nfs/dbraw/zinc/00/72/43/566007243.db2.gz IGSOOONFLMEELL-QWRGUYRKSA-N 1 0 390.119 2.871 20 0 GFADRO CO[C@H](C(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1)c1ccccc1Br ZINC000654406726 566008300 /nfs/dbraw/zinc/00/83/00/566008300.db2.gz DYKTUQDQHWNBPR-YOEHRIQHSA-N 1 0 399.329 2.610 20 0 GFADRO CC[NH+](CC)[C@H]1CCN(C(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CC2)C1 ZINC000608226096 566008519 /nfs/dbraw/zinc/00/85/19/566008519.db2.gz OBMDSVVJNJNTJB-HNNXBMFYSA-N 1 0 384.929 2.589 20 0 GFADRO CC(C)(C[NH+]1CCCC1)NC(=O)c1cnc2ncc(Br)cc2c1 ZINC000654522049 566012669 /nfs/dbraw/zinc/01/26/69/566012669.db2.gz PDGGCVUEMFGEDW-UHFFFAOYSA-N 1 0 377.286 2.997 20 0 GFADRO C[C@H]([NH2+]CCn1ccccc1=O)c1cc2c(cc1Br)OCCO2 ZINC000678756076 566019224 /nfs/dbraw/zinc/01/92/24/566019224.db2.gz SMORVOFRNRZMPQ-LBPRGKRZSA-N 1 0 379.254 2.733 20 0 GFADRO C[C@H]1CSc2ccc(Br)cc2[C@@H]1[NH2+]CC(=O)N1CCN(C)CC1 ZINC000678767752 566019478 /nfs/dbraw/zinc/01/94/78/566019478.db2.gz QMYMKVIEHKHQBH-YVEFUNNKSA-N 1 0 398.370 2.596 20 0 GFADRO C[C@@H]([NH2+]CCn1ccccc1=O)c1cc2c(cc1Br)OCCO2 ZINC000678756075 566019581 /nfs/dbraw/zinc/01/95/81/566019581.db2.gz SMORVOFRNRZMPQ-GFCCVEGCSA-N 1 0 379.254 2.733 20 0 GFADRO O=C(N[C@H](CO)c1ccc(Br)cc1)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000654732180 566020985 /nfs/dbraw/zinc/02/09/85/566020985.db2.gz UJBPEBCBLPLPJN-ZACQAIPSSA-N 1 0 396.329 2.799 20 0 GFADRO O=C(N[C@H](CO)c1cccc(Br)c1)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000654729160 566021078 /nfs/dbraw/zinc/02/10/78/566021078.db2.gz DAGHWKJMDIMJEU-ZACQAIPSSA-N 1 0 396.329 2.799 20 0 GFADRO Cc1cc(S(=O)(=O)N2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)sn1 ZINC000632332564 566023118 /nfs/dbraw/zinc/02/31/18/566023118.db2.gz QWWDTMMYQGAVJT-SFHVURJKSA-N 1 0 377.535 2.738 20 0 GFADRO O=S1(=O)CC[C@@]2(C1)C[C@H]([NH2+]Cc1c(Cl)cccc1OC(F)F)CCO2 ZINC000678969953 566026723 /nfs/dbraw/zinc/02/67/23/566026723.db2.gz TUADMCYNQLSHQV-BZNIZROVSA-N 1 0 395.855 2.767 20 0 GFADRO CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc(OC)c(Br)c1 ZINC000632407649 566029628 /nfs/dbraw/zinc/02/96/28/566029628.db2.gz ABDWQZMZWSYLLF-UHFFFAOYSA-N 1 0 391.331 2.563 20 0 GFADRO O=C(Nc1ccc(F)c(Br)c1)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000654946725 566031349 /nfs/dbraw/zinc/03/13/49/566031349.db2.gz MJJKDYCWJZGGEW-CABCVRRESA-N 1 0 398.276 2.660 20 0 GFADRO CC(C)(CO)[NH+]1CCN(C(=O)Cc2cc(Cl)ccc2Br)CC1 ZINC000679317946 566036541 /nfs/dbraw/zinc/03/65/41/566036541.db2.gz ILMFJMCQJYTDET-UHFFFAOYSA-N 1 0 389.721 2.560 20 0 GFADRO Brc1ccc([C@H]([NH2+]CCCN2CCOCC2)[C@@H]2CCCO2)cc1 ZINC000679329092 566038714 /nfs/dbraw/zinc/03/87/14/566038714.db2.gz ZAKUFWSEMMKHRH-ROUUACIJSA-N 1 0 383.330 2.981 20 0 GFADRO C[NH+](C)CCn1ccc(C(=O)N[C@H]2CCc3c2ccc(F)c3Br)n1 ZINC000655130360 566040939 /nfs/dbraw/zinc/04/09/39/566040939.db2.gz BTHKXTVQWWMIJU-AWEZNQCLSA-N 1 0 395.276 2.764 20 0 GFADRO CC[N@@H+](CC(=O)Nc1ccc(I)cc1)C[C@@H]1CCOC1 ZINC000609631627 566047645 /nfs/dbraw/zinc/04/76/45/566047645.db2.gz HIQIRGXVWYVUJA-LBPRGKRZSA-N 1 0 388.249 2.588 20 0 GFADRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)C2(c3cccc(Br)c3)CC(=O)C2)C1 ZINC000655245184 566048326 /nfs/dbraw/zinc/04/83/26/566048326.db2.gz DBYOSMNVMHORIA-JNSHFYNHSA-N 1 0 379.298 2.506 20 0 GFADRO C[C@@H](Sc1cc(Cl)ccc1Cl)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000655298684 566050656 /nfs/dbraw/zinc/05/06/56/566050656.db2.gz CRZVLUNMVZSRDX-KGYLQXTDSA-N 1 0 375.321 2.751 20 0 GFADRO COc1ccccc1[C@H](CO)[NH2+]C[C@H](O)COc1cccc(Br)c1 ZINC000679827006 566055200 /nfs/dbraw/zinc/05/52/00/566055200.db2.gz NSRBGIQRCOQLNU-YOEHRIQHSA-N 1 0 396.281 2.521 20 0 GFADRO COc1cc(Br)ccc1CCC(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000679888355 566056117 /nfs/dbraw/zinc/05/61/17/566056117.db2.gz VDUADZAMMFGYGD-MRXNPFEDSA-N 1 0 381.314 2.991 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)Cc1cccc(Br)c1C ZINC000655463830 566057647 /nfs/dbraw/zinc/05/76/47/566057647.db2.gz YNFUEMUFNOGRAV-CQSZACIVSA-N 1 0 375.332 2.661 20 0 GFADRO Cc1cnc(CCNC(=O)[C@](C)([NH3+])c2ccc(Br)cc2)c(C)c1 ZINC000655489358 566059807 /nfs/dbraw/zinc/05/98/07/566059807.db2.gz ZZBFOQRAIJIQHS-GOSISDBHSA-N 1 0 376.298 2.994 20 0 GFADRO Cc1csc(-c2ccc(S(=O)(=O)N3CC[C@H]4CC[C@@H](C3)[N@@H+]4C)cc2)n1 ZINC000655527823 566063747 /nfs/dbraw/zinc/06/37/47/566063747.db2.gz BUISRHCSUHEDJW-CVEARBPZSA-N 1 0 377.535 2.976 20 0 GFADRO CN(C)c1cc[nH+]c(NC(=O)CN(C)C(=O)c2ccc(Br)s2)c1 ZINC000680257865 566066087 /nfs/dbraw/zinc/06/60/87/566066087.db2.gz WUCNSGGQUVIZFX-UHFFFAOYSA-N 1 0 397.298 2.682 20 0 GFADRO C[C@@H](NC[C@@H](O)C[NH+]1CCCC1)c1nc(-c2ccc(Br)cc2)no1 ZINC000680428331 566071372 /nfs/dbraw/zinc/07/13/72/566071372.db2.gz ZGIUGASYQLEQLK-IUODEOHRSA-N 1 0 395.301 2.606 20 0 GFADRO CC[NH+](CC)CCOCCNC(=O)NCc1ccc(Br)cc1C ZINC000680506084 566073304 /nfs/dbraw/zinc/07/33/04/566073304.db2.gz CNKJNMLASOSTRV-UHFFFAOYSA-N 1 0 386.334 2.915 20 0 GFADRO Cc1cc(Br)cc(C)c1S(=O)(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655633243 566075515 /nfs/dbraw/zinc/07/55/15/566075515.db2.gz HCLSFMZSDVGMAR-XBXGTLAGSA-N 1 0 375.332 2.684 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)c(NC(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)c1C ZINC000632952245 566076207 /nfs/dbraw/zinc/07/62/07/566076207.db2.gz ZGCDDJNWVMXKDH-ZFWWWQNUSA-N 1 0 390.285 2.830 20 0 GFADRO CNC(=O)c1cccc(NC(=O)N[C@@H]2CC[NH2+]CC(C)(C)C2)c1Br ZINC000632945909 566076379 /nfs/dbraw/zinc/07/63/79/566076379.db2.gz JBGWHQXVNUUUBN-LLVKDONJSA-N 1 0 397.317 2.708 20 0 GFADRO O=S(=O)(Cc1ccccc1Br)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000655668281 566080389 /nfs/dbraw/zinc/08/03/89/566080389.db2.gz OZKKOBJDZGMDEU-HZPDHXFCSA-N 1 0 387.343 2.885 20 0 GFADRO COCCN(C)CC[NH2+]Cc1cn(-c2cccc(Br)c2)nc1C ZINC000655724606 566084066 /nfs/dbraw/zinc/08/40/66/566084066.db2.gz FTCHXFSZIODXSX-UHFFFAOYSA-N 1 0 381.318 2.611 20 0 GFADRO Cc1nn(-c2cccc(Br)c2)cc1C[NH2+]C[C@]1(O)CCSC1 ZINC000655743190 566085364 /nfs/dbraw/zinc/08/53/64/566085364.db2.gz CXOARNAZIUPUBD-MRXNPFEDSA-N 1 0 382.327 2.901 20 0 GFADRO Cc1nn(-c2cccc(Br)c2)cc1C[NH2+]C[C@@H](O)C1CCOCC1 ZINC000655745408 566085779 /nfs/dbraw/zinc/08/57/79/566085779.db2.gz QIBLVVXPHSVWRN-GOSISDBHSA-N 1 0 394.313 2.820 20 0 GFADRO COCCN1CC[C@@H]([NH2+]Cc2cn(-c3cccc(Br)c3)nc2C)C1 ZINC000655733388 566085925 /nfs/dbraw/zinc/08/59/25/566085925.db2.gz MTWMIIPZTLCNSF-QGZVFWFLSA-N 1 0 393.329 2.754 20 0 GFADRO CN(C)C(=O)[C@H]1CC[C@H](C[NH2+]Cc2oc3ccccc3c2Br)O1 ZINC000655756043 566087021 /nfs/dbraw/zinc/08/70/21/566087021.db2.gz LXGDBYTZKYRUEP-BXUZGUMPSA-N 1 0 381.270 2.921 20 0 GFADRO CNC(=O)[C@H]1CCC[C@@H]1[NH2+]Cc1cn(-c2cccc(Br)c2)nc1C ZINC000655754994 566087668 /nfs/dbraw/zinc/08/76/68/566087668.db2.gz ZWQIPTPCFIEPLR-IRXDYDNUSA-N 1 0 391.313 2.948 20 0 GFADRO C[N@@H+]1CCC[C@@H](NC(=O)Nc2ccc(F)cc2I)C1 ZINC000610565647 566088115 /nfs/dbraw/zinc/08/81/15/566088115.db2.gz QHTNQVOGBWCOCO-SNVBAGLBSA-N 1 0 377.201 2.646 20 0 GFADRO O=C(NC[C@@H]1CCC[N@H+]1CCCO)c1oc2ccccc2c1Br ZINC000633251374 566091309 /nfs/dbraw/zinc/09/13/09/566091309.db2.gz FAJJCJUVUQTJNZ-LBPRGKRZSA-N 1 0 381.270 2.772 20 0 GFADRO C[NH+]1CCN(C(C)(C)CNC(=O)N2Cc3cccc(Br)c3C2)CC1 ZINC000681184407 566097481 /nfs/dbraw/zinc/09/74/81/566097481.db2.gz MKXQBDUINIWYCX-UHFFFAOYSA-N 1 0 395.345 2.500 20 0 GFADRO Cc1c(Br)cccc1CS(=O)(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000655949968 566097608 /nfs/dbraw/zinc/09/76/08/566097608.db2.gz GPSKNAMETVPKAN-IUODEOHRSA-N 1 0 375.332 2.694 20 0 GFADRO Cc1c(Br)cccc1CS(=O)(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000655949739 566098154 /nfs/dbraw/zinc/09/81/54/566098154.db2.gz AOXIMLLMUBYVJW-NOLJZWGESA-N 1 0 387.343 2.647 20 0 GFADRO CC[C@@H](C)[NH+]1CCN(C(=O)c2ccc3cncc(Br)c3n2)CC1 ZINC000633341751 566098455 /nfs/dbraw/zinc/09/84/55/566098455.db2.gz OKOSDTNXUOSXQG-GFCCVEGCSA-N 1 0 377.286 2.949 20 0 GFADRO CC[C@@H](C)Sc1ccc(NC(=O)C(=O)N[C@@H](C[NH3+])C(F)(F)F)c(C)c1 ZINC000655958558 566098874 /nfs/dbraw/zinc/09/88/74/566098874.db2.gz MYBQLDOGEITLTD-MFKMUULPSA-N 1 0 377.432 2.830 20 0 GFADRO Cc1c(Br)cccc1CS(=O)(=O)N1CCC([C@@H](C)[NH3+])CC1 ZINC000655950769 566098903 /nfs/dbraw/zinc/09/89/03/566098903.db2.gz PZMWNIRQYBGDQN-GFCCVEGCSA-N 1 0 375.332 2.647 20 0 GFADRO [NH3+]C[C@@H](NC(=O)C(=O)Nc1cc(Cl)c(Cl)cc1Cl)C(F)(F)F ZINC000655957810 566099125 /nfs/dbraw/zinc/09/91/25/566099125.db2.gz ABTFTZVHNLPAIJ-MRVPVSSYSA-N 1 0 378.565 2.591 20 0 GFADRO Cc1csc(-c2ccc(S(=O)(=O)N3C[C@@H]4CCC[C@@H]([NH3+])[C@@H]4C3)cc2)n1 ZINC000655951762 566099472 /nfs/dbraw/zinc/09/94/72/566099472.db2.gz YLUVQQMUFBBESV-USXIJHARSA-N 1 0 377.535 2.866 20 0 GFADRO Cc1csc(-c2ccc(S(=O)(=O)N3CCC4(CC[NH2+]C4)CC3)cc2)n1 ZINC000655951874 566099487 /nfs/dbraw/zinc/09/94/87/566099487.db2.gz GAXZTGRHPSPDLF-UHFFFAOYSA-N 1 0 377.535 2.883 20 0 GFADRO CCCN(C(=O)c1ccc2cncc(Br)c2n1)[C@H]1CC[N@H+](C)C1 ZINC000633552173 566109252 /nfs/dbraw/zinc/10/92/52/566109252.db2.gz LMKGAGFNEWARPS-ZDUSSCGKSA-N 1 0 377.286 2.949 20 0 GFADRO CN(C)S(=O)(=O)n1ccnc1C[NH2+]CCCc1c(Cl)cccc1Cl ZINC000656268312 566121817 /nfs/dbraw/zinc/12/18/17/566121817.db2.gz BNMISRLCMYNMQH-UHFFFAOYSA-N 1 0 391.324 2.567 20 0 GFADRO O=C(c1cnc2ncc(Br)cc2c1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000681949336 566133797 /nfs/dbraw/zinc/13/37/97/566133797.db2.gz JCUUODYXLOHPRR-UHFFFAOYSA-N 1 0 398.264 2.750 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1cnc2ncc(Br)cc2c1 ZINC000681960449 566134823 /nfs/dbraw/zinc/13/48/23/566134823.db2.gz IJBAGKZADGHSJU-CABCVRRESA-N 1 0 375.270 2.749 20 0 GFADRO CCOC(=O)COc1c(Br)cc(C)cc1C[NH2+][C@H]1CCCN(C)C1 ZINC000611622466 566139742 /nfs/dbraw/zinc/13/97/42/566139742.db2.gz KECCMGLJAGCFAP-HNNXBMFYSA-N 1 0 399.329 2.883 20 0 GFADRO CC1(C)CN(Cc2nnc(-c3ccc(Cl)cc3Cl)o2)CC[N@@H+]1CCO ZINC000682034679 566141091 /nfs/dbraw/zinc/14/10/91/566141091.db2.gz KUHMIOVWBFKCPY-UHFFFAOYSA-N 1 0 385.295 2.932 20 0 GFADRO CC1(C)CN(CC2=Cc3cc(Br)ccc3OC2)CC[N@@H+]1CCO ZINC000682166069 566145823 /nfs/dbraw/zinc/14/58/23/566145823.db2.gz HQMXQXJOXVQZBJ-UHFFFAOYSA-N 1 0 381.314 2.613 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)C(=O)N[C@H](CC)C[NH+]1CCCC1 ZINC000682277981 566148764 /nfs/dbraw/zinc/14/87/64/566148764.db2.gz QBDMZVBWBGFPQP-OAHLLOKOSA-N 1 0 396.329 2.941 20 0 GFADRO Cc1ccc(Br)c(NC(=O)C(=O)N2CCC[C@@H]([NH2+]C(C)C)C2)c1 ZINC000682353168 566151215 /nfs/dbraw/zinc/15/12/15/566151215.db2.gz VDOCLRSSOGTZAH-CYBMUJFWSA-N 1 0 382.302 2.685 20 0 GFADRO COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N(C)CCCC[NH+](C)C ZINC000682486275 566157429 /nfs/dbraw/zinc/15/74/29/566157429.db2.gz JQQFSSJQSJKSDG-CQSZACIVSA-N 1 0 392.949 2.716 20 0 GFADRO CC(C)OCC[NH+]1CCN(C[C@H](O)COc2cc(Cl)cc(Cl)c2)CC1 ZINC000634645379 566163359 /nfs/dbraw/zinc/16/33/59/566163359.db2.gz MLTSCHPFJUWUGD-KRWDZBQOSA-N 1 0 391.339 2.776 20 0 GFADRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3cc(Br)cc4c3OCCO4)CC[C@H]21 ZINC000612516579 566164334 /nfs/dbraw/zinc/16/43/34/566164334.db2.gz DGAPVBKWLVODPJ-SWLSCSKDSA-N 1 0 395.297 2.777 20 0 GFADRO OC[C@H](C[NH2+]C[C@@H](O)COc1cc(Cl)cc(Cl)c1)Cc1cccnc1 ZINC000634719891 566171807 /nfs/dbraw/zinc/17/18/07/566171807.db2.gz AXQLUGHKAZFQDZ-WMLDXEAASA-N 1 0 385.291 2.569 20 0 GFADRO CCN([C@@H]1CC[N@H+](Cc2ccccc2)C1)S(=O)(=O)Cc1csc(C)n1 ZINC000682837920 566172288 /nfs/dbraw/zinc/17/22/88/566172288.db2.gz XPNSMEOZVCYLGL-GOSISDBHSA-N 1 0 379.551 2.878 20 0 GFADRO C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)[C@H]1CCOc3ccc(Br)cc31)C2 ZINC000634742036 566174544 /nfs/dbraw/zinc/17/45/44/566174544.db2.gz XSMWIENWBPQERF-DOPJRALCSA-N 1 0 379.298 2.773 20 0 GFADRO Cc1ccc(C(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)c(C)c1Br ZINC000682892808 566174950 /nfs/dbraw/zinc/17/49/50/566174950.db2.gz JQCWARPNZZIURN-HOTGVXAUSA-N 1 0 381.314 2.737 20 0 GFADRO C[C@@H](Cc1ccc(Br)cc1)[NH2+]CCS(=O)(=O)NC(C)(C)C ZINC000682906290 566175401 /nfs/dbraw/zinc/17/54/01/566175401.db2.gz DFZMHEXVGUVZNG-LBPRGKRZSA-N 1 0 377.348 2.688 20 0 GFADRO CN(CC1CC[NH+](C)CC1)S(=O)(=O)Cc1cc(F)ccc1Br ZINC000656896962 566177539 /nfs/dbraw/zinc/17/75/39/566177539.db2.gz JYRZASQBRAHAGQ-UHFFFAOYSA-N 1 0 393.322 2.692 20 0 GFADRO CCn1c(CNC(=O)[C@@H]2CCCC[N@@H+]2C)nc2cc(Br)ccc21 ZINC000682993683 566180660 /nfs/dbraw/zinc/18/06/60/566180660.db2.gz NULICHVZXXQVGP-HNNXBMFYSA-N 1 0 379.302 2.919 20 0 GFADRO CCN(CC[NH2+][C@H]1CCS(=O)(=O)c2ccc(F)cc21)CCC(F)(F)F ZINC000683161260 566185383 /nfs/dbraw/zinc/18/53/83/566185383.db2.gz WWBKSBKWLNBWIU-AWEZNQCLSA-N 1 0 382.423 2.908 20 0 GFADRO CC[C@H](C[NH+]1CCCC1)NS(=O)(=O)Cc1cc(F)ccc1Br ZINC000656928668 566185601 /nfs/dbraw/zinc/18/56/01/566185601.db2.gz VJDCWFSSDVEZEP-CQSZACIVSA-N 1 0 393.322 2.882 20 0 GFADRO Cc1nnc(CC(=O)NC[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)s1 ZINC000613130099 566186004 /nfs/dbraw/zinc/18/60/04/566186004.db2.gz XHVVAUXTEYVIJG-PXAZEXFGSA-N 1 0 382.892 2.991 20 0 GFADRO C[C@@H](NC(=O)C(=O)Nc1cc(Cl)c(F)c(Cl)c1)C1CC[NH+](C)CC1 ZINC000683165621 566186729 /nfs/dbraw/zinc/18/67/29/566186729.db2.gz NWICDYONVJTHNB-SECBINFHSA-N 1 0 376.259 2.918 20 0 GFADRO COc1cc(Br)c2nc(N3CC[C@H]4CC[C@@H](C3)[N@@H+]4C)nc(N)c2c1 ZINC000683185662 566187603 /nfs/dbraw/zinc/18/76/03/566187603.db2.gz ZPELWPAUQSDXMO-MNOVXSKESA-N 1 0 392.301 2.656 20 0 GFADRO Cn1cc(Br)c(=O)c(NC(=O)[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000613320289 566194368 /nfs/dbraw/zinc/19/43/68/566194368.db2.gz DNOZDPPJSFIOHE-AWEZNQCLSA-N 1 0 390.281 2.608 20 0 GFADRO C[N@@H+]1CCC[C@H](NC(=O)NCc2cnn(-c3ccc(Br)cc3)c2)C1 ZINC000683542958 566204139 /nfs/dbraw/zinc/20/41/39/566204139.db2.gz XMKOAGTXZDMDCG-HNNXBMFYSA-N 1 0 392.301 2.528 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@H](NS(=O)(=O)c2cc(F)ccc2Br)C1 ZINC000657059771 566215027 /nfs/dbraw/zinc/21/50/27/566215027.db2.gz ADMBDBRZTQBLID-NSHDSACASA-N 1 0 379.295 2.739 20 0 GFADRO C[NH+](C)C[C@@]1(O)CCCN(C(=O)CCCOc2ccccc2Br)C1 ZINC000683912969 566218365 /nfs/dbraw/zinc/21/83/65/566218365.db2.gz VCQLPPTWEJRRJZ-SFHVURJKSA-N 1 0 399.329 2.523 20 0 GFADRO C[NH+](C)C[C@@]1(O)CCCN(C(=O)COc2cc(Cl)c(Cl)cc2Cl)C1 ZINC000683911305 566218672 /nfs/dbraw/zinc/21/86/72/566218672.db2.gz AUJTVUFIVROPHC-INIZCTEOSA-N 1 0 395.714 2.941 20 0 GFADRO Cc1c(Br)ccc(C(=O)NCCCN2CCC[N@@H+](C)CC2)c1F ZINC000684050655 566224006 /nfs/dbraw/zinc/22/40/06/566224006.db2.gz JIPOMTYQNWLTTL-UHFFFAOYSA-N 1 0 386.309 2.654 20 0 GFADRO C[NH+](C)C[C@@]1(O)CCCN(C(=O)C(C)(C)c2ccc(Br)cc2)C1 ZINC000684174535 566229080 /nfs/dbraw/zinc/22/90/80/566229080.db2.gz KMPSEKJTXUZYEG-SFHVURJKSA-N 1 0 383.330 2.642 20 0 GFADRO CC(C)[NH2+][C@H]1CCCN(C(=O)NCCCCn2cc(Br)cn2)C1 ZINC000684290159 566232435 /nfs/dbraw/zinc/23/24/35/566232435.db2.gz HJCPREKBIJLDJP-HNNXBMFYSA-N 1 0 386.338 2.598 20 0 GFADRO COc1cccc(S(=O)(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)c1 ZINC000684572853 566238795 /nfs/dbraw/zinc/23/87/95/566238795.db2.gz XIQBZICYOMTOKG-HNNXBMFYSA-N 1 0 380.535 2.947 20 0 GFADRO OCC[N@H+](Cc1cn2ccccc2c1-c1nn[nH]n1)[C@@H]1CCCc2ccccc21 ZINC000738394503 598897880 /nfs/dbraw/zinc/89/78/80/598897880.db2.gz VPCWWRRXFONYPK-LJQANCHMSA-N 1 0 388.475 2.991 20 0 GFADRO COc1ccc([C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)N2CCCC2)cc1 ZINC000737074497 598950340 /nfs/dbraw/zinc/95/03/40/598950340.db2.gz IOFNAFWRGYEECB-HXUWFJFHSA-N 1 0 378.480 2.802 20 0 GFADRO C[C@H](CNc1c2ccccc2nnc1-c1nn[nH]n1)[N@@H+]1CCc2sccc2C1 ZINC000736025467 598957723 /nfs/dbraw/zinc/95/77/23/598957723.db2.gz HDZHPJBRVMCNJN-GFCCVEGCSA-N 1 0 392.492 2.730 20 0 GFADRO Cc1ccc([C@H](C)[NH2+][C@H]2CCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)c(C)c1 ZINC000737318361 598961381 /nfs/dbraw/zinc/96/13/81/598961381.db2.gz AGBNUOUVFMFCOH-KXBFYZLASA-N 1 0 376.464 2.940 20 0 GFADRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)c1ccccc1-c1ccccc1-c1nn[nH]n1 ZINC000736858846 599034787 /nfs/dbraw/zinc/03/47/87/599034787.db2.gz VDQUYESJJYNJCT-INIZCTEOSA-N 1 0 390.491 2.948 20 0 GFADRO FC(F)(F)c1ccc(-c2nn[nH]n2)c(N[C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000737632678 599040435 /nfs/dbraw/zinc/04/04/35/599040435.db2.gz MHCPARNTODCSFO-ZDUSSCGKSA-N 1 0 389.385 2.967 20 0 GFADRO CN(C[C@@H]1CCC[N@H+](C)C1)c1c(-c2nn[nH]n2)cnc2c(F)ccc(Cl)c21 ZINC000736855961 599043620 /nfs/dbraw/zinc/04/36/20/599043620.db2.gz JMKZGJPQLAKXGS-LLVKDONJSA-N 1 0 389.866 2.985 20 0 GFADRO Fc1cccc(N2CC[NH+](Cc3ccc4c(c3)CCC4)CC2)c1-c1nn[nH]n1 ZINC000737659213 599067819 /nfs/dbraw/zinc/06/78/19/599067819.db2.gz AYEMVTPIEZRETP-UHFFFAOYSA-N 1 0 378.455 2.817 20 0 GFADRO C[N@@H+]1CCC[C@@H](CNC(=O)c2sccc2-c2nn[nH]n2)[C@@H]1c1cccs1 ZINC000736858216 599085569 /nfs/dbraw/zinc/08/55/69/599085569.db2.gz RMOJCHHDXRBESD-SMDDNHRTSA-N 1 0 388.522 2.803 20 0 GFADRO C[C@@H]1CCN(c2nc3c(cc2-c2nn[nH]n2)CCC3)CC[N@@H+]1Cc1ccccc1 ZINC000820727275 599109884 /nfs/dbraw/zinc/10/98/84/599109884.db2.gz JXNZKERXJIKOMX-MRXNPFEDSA-N 1 0 389.507 2.851 20 0 GFADRO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](Cc3ccccc3)C2)c(-c2nn[nH]n2)c1C ZINC000737548976 599136316 /nfs/dbraw/zinc/13/63/16/599136316.db2.gz SJSIGWXJTNGVSV-WMLDXEAASA-N 1 0 394.479 2.968 20 0 GFADRO C[NH+](C)CC[C@@H](NC(=O)Nc1cc(-c2nn[nH]n2)cn1C(C)(C)C)C(C)(C)C ZINC000736757933 599181313 /nfs/dbraw/zinc/18/13/13/599181313.db2.gz AFFAYFQRKQLODD-CQSZACIVSA-N 1 0 390.536 2.911 20 0 GFADRO C[C@H]1CCN(C(=O)c2cccc(-c3nn[nH]n3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000820717291 599217240 /nfs/dbraw/zinc/21/72/40/599217240.db2.gz OYZBAIBLSGLQPR-INIZCTEOSA-N 1 0 376.464 2.603 20 0 GFADRO Clc1cccc(N2CC[NH+](CCOc3ccccc3)CC2)c1-c1nn[nH]n1 ZINC000822586472 599229470 /nfs/dbraw/zinc/22/94/70/599229470.db2.gz ZWDZJRNKABPXAK-UHFFFAOYSA-N 1 0 384.871 2.721 20 0 GFADRO CC[C@@H]1CCC[N@H+](CC(=O)Nc2c(-c3nn[nH]n3)cnn2-c2ccccc2)CC1 ZINC000736400771 599235441 /nfs/dbraw/zinc/23/54/41/599235441.db2.gz BYLKWHHEKLJCIP-OAHLLOKOSA-N 1 0 394.483 2.503 20 0 GFADRO Cc1c(NC(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)cccc1-c1nn[nH]n1 ZINC000822097278 607292590 /nfs/dbraw/zinc/29/25/90/607292590.db2.gz WHQQSJAAIYERLU-QGZVFWFLSA-N 1 0 383.431 2.739 20 0 GFADRO COc1ccc(C[NH2+][C@H]2CCCc3c2cnn3C(C)(C)C)cc1-c1nn[nH]n1 ZINC000737092818 599284439 /nfs/dbraw/zinc/28/44/39/599284439.db2.gz OXZGNBDMDNRQFG-INIZCTEOSA-N 1 0 381.484 2.994 20 0 GFADRO CN1CCC([NH2+]Cc2cccc(OCc3ccccc3-c3nn[nH]n3)c2)CC1 ZINC000736855236 599284687 /nfs/dbraw/zinc/28/46/87/599284687.db2.gz JQMRMXUKQDEGDD-UHFFFAOYSA-N 1 0 378.480 2.630 20 0 GFADRO O=C(C[NH2+][C@@H](c1ccc(F)cc1)C1CCC1)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000737892023 598248382 /nfs/dbraw/zinc/24/83/82/598248382.db2.gz RDZVFRSCFKNKTP-HXUWFJFHSA-N 1 0 394.454 2.753 20 0 GFADRO CC(C)Oc1ccc(-c2nn[nH]n2)cc1NC(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000735905175 598263240 /nfs/dbraw/zinc/26/32/40/598263240.db2.gz GHVJNEMHZLGZRD-INIZCTEOSA-N 1 0 399.499 2.746 20 0 GFADRO C[C@@H](CNC(=O)Nc1cc(-c2nn[nH]n2)cn1C(C)(C)C)[NH+]1CCC(C)CC1 ZINC000736276920 598281068 /nfs/dbraw/zinc/28/10/68/598281068.db2.gz IQXPFKODIKTDGN-AWEZNQCLSA-N 1 0 388.520 2.665 20 0 GFADRO S=C(Nc1ccc(-c2nn[nH]n2)c(Cl)c1)N1CC[NH+](C2CCCC2)CC1 ZINC000738400673 598319586 /nfs/dbraw/zinc/31/95/86/598319586.db2.gz IFXBLPGRHLTAIC-UHFFFAOYSA-N 1 0 391.932 2.777 20 0 GFADRO CC[NH+](CC)[C@H](C(=O)NCc1ccc(-c2nn[nH]n2)cc1F)c1ccccc1 ZINC000736532859 598321458 /nfs/dbraw/zinc/32/14/58/598321458.db2.gz DPCFBIXUJPLOBH-SFHVURJKSA-N 1 0 382.443 2.705 20 0 GFADRO CCC[N@H+](C[C@@H]1CCCCO1)Cn1ccc(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000736469399 598403094 /nfs/dbraw/zinc/40/30/94/598403094.db2.gz DZBWLNPWIKUVRS-SFHVURJKSA-N 1 0 381.484 2.969 20 0 GFADRO C[C@H](NC(=O)OC(C)(C)C)C1CC[NH+](Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000736118189 598405894 /nfs/dbraw/zinc/40/58/94/598405894.db2.gz UNTSFWHFVJKNNZ-AWEZNQCLSA-N 1 0 386.500 2.992 20 0 GFADRO COc1ccc(C)cc1[C@@H](C)[NH2+][C@H](C)C(=O)Nc1ccccc1-c1nn[nH]n1 ZINC000737077760 598431656 /nfs/dbraw/zinc/43/16/56/598431656.db2.gz XTJRPIRDWQPQKC-ZIAGYGMSSA-N 1 0 380.452 2.862 20 0 GFADRO COc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2ccccc2-c2nn[nH]n2)cc1F ZINC000737073480 598453412 /nfs/dbraw/zinc/45/34/12/598453412.db2.gz RSJCHJLLUNGZTA-VXGBXAGGSA-N 1 0 384.415 2.692 20 0 GFADRO c1ccc(-c2nccc(N3CC[NH+](Cc4ccc(-c5nn[nH]n5)cc4)CC3)n2)cc1 ZINC000738424300 598506924 /nfs/dbraw/zinc/50/69/24/598506924.db2.gz YOPBPWURGAYKGO-UHFFFAOYSA-N 1 0 398.474 2.646 20 0 GFADRO CC(C)(C)[C@@H]([NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1ccc(F)cc1 ZINC000735589709 598527222 /nfs/dbraw/zinc/52/72/22/598527222.db2.gz NTMMQUFARCHDCE-WBMJQRKESA-N 1 0 384.463 2.621 20 0 GFADRO CC[NH+](CC)CCCNC(=O)c1ccc(COc2ccc(-c3nn[nH]n3)cc2)o1 ZINC000736529971 598557587 /nfs/dbraw/zinc/55/75/87/598557587.db2.gz CRGZWXPXSIKSNH-UHFFFAOYSA-N 1 0 398.467 2.500 20 0 GFADRO c1ccc(-c2nn[nH]n2)c(COc2cccc(C[NH2+][C@H]3CCN(C4CC4)C3)c2)c1 ZINC000738411645 598562787 /nfs/dbraw/zinc/56/27/87/598562787.db2.gz WJVUSBSDMNDXKZ-SFHVURJKSA-N 1 0 390.491 2.772 20 0 GFADRO c1nn2cc(C[NH2+][C@@H]3CCCC[C@@H]3Cc3ccccc3)cnc2c1-c1nn[nH]n1 ZINC000738427485 598618346 /nfs/dbraw/zinc/61/83/46/598618346.db2.gz IOSIDQHBAMODLZ-IEBWSBKVSA-N 1 0 388.479 2.801 20 0 GFADRO O=C(Nc1ccc(F)c(-c2nn[nH]n2)c1)NC1CC[NH+](CC2CCCC2)CC1 ZINC000738168225 598628449 /nfs/dbraw/zinc/62/84/49/598628449.db2.gz WHSUNRBCGYVRFO-UHFFFAOYSA-N 1 0 387.463 2.782 20 0 GFADRO C[NH+](C)CCN(CCc1ccccc1)C(=O)Nc1ccc(F)c(-c2nn[nH]n2)c1 ZINC000736768288 598629447 /nfs/dbraw/zinc/62/94/47/598629447.db2.gz ZUZKUQMYYZPHKB-UHFFFAOYSA-N 1 0 397.458 2.644 20 0 GFADRO C[C@@H](CNC(=O)C=Cc1ccccc1-c1nn[nH]n1)[N@H+](C)Cc1ccccc1 ZINC000736008122 598666361 /nfs/dbraw/zinc/66/63/61/598666361.db2.gz GSCCPGQBPBHASQ-DBTPVHCXSA-N 1 0 376.464 2.517 20 0 GFADRO CN(CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000736790086 598672758 /nfs/dbraw/zinc/67/27/58/598672758.db2.gz FSBZBWSAPUYHEI-OAQYLSRUSA-N 1 0 392.507 2.749 20 0 GFADRO c1c2c(nc(N3CCC[C@@H](C[NH+]4CCCCCC4)C3)c1-c1nn[nH]n1)CCC2 ZINC000738406261 598674120 /nfs/dbraw/zinc/67/41/20/598674120.db2.gz SQUOTWNTAJBOIK-INIZCTEOSA-N 1 0 381.528 2.843 20 0 GFADRO O=C(Nc1cccc(F)c1)C1CC[NH+](Cc2ccc(F)cc2-c2nn[nH]n2)CC1 ZINC000738183293 598684658 /nfs/dbraw/zinc/68/46/58/598684658.db2.gz LAMNXRAQCHTBBA-UHFFFAOYSA-N 1 0 398.417 2.996 20 0 GFADRO O=C(c1cccc(Oc2ccc(-c3nn[nH]n3)cc2)c1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000738275004 598701178 /nfs/dbraw/zinc/70/11/78/598701178.db2.gz ZOKTVEDEJPZARY-KRWDZBQOSA-N 1 0 390.447 2.579 20 0 GFADRO C[C@H](C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)[N@@H+]1CC[C@@H](c2ccco2)C1 ZINC000735550875 598703232 /nfs/dbraw/zinc/70/32/32/598703232.db2.gz MKSOWPPEVDYKFW-VXGBXAGGSA-N 1 0 386.843 2.930 20 0 GFADRO O=C(C[N@H+]1CC[C@H](c2ccc(Cl)cc2)C1)NCc1cccc(-c2nn[nH]n2)c1 ZINC000737878400 598708495 /nfs/dbraw/zinc/70/84/95/598708495.db2.gz ZIJZXJWWWKPCTM-KRWDZBQOSA-N 1 0 396.882 2.626 20 0 GFADRO OCC1CC[NH+](Cc2ccccc2NCc2ccc(-c3nn[nH]n3)cc2F)CC1 ZINC000738395144 598724871 /nfs/dbraw/zinc/72/48/71/598724871.db2.gz WHUXFUOUMJTQQI-UHFFFAOYSA-N 1 0 396.470 2.822 20 0 GFADRO CCS[C@@H]1CCCC[N@H+](CCC(=O)Nc2sccc2-c2nn[nH]n2)C1 ZINC000736663741 598748632 /nfs/dbraw/zinc/74/86/32/598748632.db2.gz GUISSCJVODQUFD-GFCCVEGCSA-N 1 0 380.543 2.864 20 0 GFADRO CCS[C@@H]1CCCC[N@H+](CC(=O)Nc2oc(C)c(C)c2-c2nn[nH]n2)C1 ZINC000736668231 598748973 /nfs/dbraw/zinc/74/89/73/598748973.db2.gz ZBRMFLQZHPWKDA-CYBMUJFWSA-N 1 0 378.502 2.623 20 0 GFADRO C[NH+](C)CCCCNC(=O)c1ccc(OCc2ccccc2-c2nn[nH]n2)cc1 ZINC000736757937 598811767 /nfs/dbraw/zinc/81/17/67/598811767.db2.gz AHOQYMSEWLMVPH-UHFFFAOYSA-N 1 0 394.479 2.517 20 0 GFADRO CC(C)[NH2+]C1CCN(C(=O)Nc2ccc(-c3nn[nH]n3)c(C(F)(F)F)c2)CC1 ZINC000820137954 599293752 /nfs/dbraw/zinc/29/37/52/599293752.db2.gz QUDPOICKABHMQK-UHFFFAOYSA-N 1 0 397.405 2.880 20 0 GFADRO C[C@H](c1ccc(-c2nn[nH]n2)cc1)[N@@H+]1CCC[C@@H](C(=O)Nc2ccccn2)C1 ZINC000736197752 599309539 /nfs/dbraw/zinc/30/95/39/599309539.db2.gz ORTWPPATVHKULF-RHSMWYFYSA-N 1 0 377.452 2.673 20 0 GFADRO C[C@@H]1[C@H](C)SCC[N@@H+]1CCC(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000736301503 599322591 /nfs/dbraw/zinc/32/25/91/599322591.db2.gz NVEUUGIEJUIMAN-MNOVXSKESA-N 1 0 380.905 2.675 20 0 GFADRO O[C@@H](C[N@H+](CCOc1ccccc1-c1nn[nH]n1)C1CC1)c1ccc(F)cc1 ZINC000738379579 599358372 /nfs/dbraw/zinc/35/83/72/599358372.db2.gz BNORPKKYVIXSNG-SFHVURJKSA-N 1 0 383.427 2.583 20 0 GFADRO CCC[C@H](CCc1ccccc1)[NH2+][C@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821021836 599380650 /nfs/dbraw/zinc/38/06/50/599380650.db2.gz PGOCBGHLIYVXOO-MOPGFXCFSA-N 1 0 378.480 2.784 20 0 GFADRO CC(C)(C)[NH2+]CCNC(=O)c1ccc(OCc2ccccc2-c2nn[nH]n2)cc1 ZINC000819922967 599381258 /nfs/dbraw/zinc/38/12/58/599381258.db2.gz RRHRXANTKRAHIU-UHFFFAOYSA-N 1 0 394.479 2.564 20 0 GFADRO FC(F)(F)c1ccc(C[NH+]2CCN(c3cccc(-c4nn[nH]n4)n3)CC2)cc1 ZINC000737635931 599400875 /nfs/dbraw/zinc/40/08/75/599400875.db2.gz QQSGKMSENCLSBG-UHFFFAOYSA-N 1 0 389.385 2.603 20 0 GFADRO C[C@H](NC(=O)NC[C@H](c1ccsc1)[NH+](C)C)c1cccc(-c2nn[nH]n2)c1 ZINC000820357285 599406727 /nfs/dbraw/zinc/40/67/27/599406727.db2.gz FNLJYJRKXIXUJC-BLLLJJGKSA-N 1 0 385.497 2.591 20 0 GFADRO C[C@@H](NC(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1cccc(-c2nn[nH]n2)c1 ZINC000820649898 599417788 /nfs/dbraw/zinc/41/77/88/599417788.db2.gz PCZOSGIHQYNLIN-BZUAXINKSA-N 1 0 385.516 2.595 20 0 GFADRO COc1ccc(C[NH2+][C@@H]2CCN([C@H](C)c3ccccc3)C2)cc1-c1nn[nH]n1 ZINC000821804915 599428837 /nfs/dbraw/zinc/42/88/37/599428837.db2.gz QXMCBIKDUPFDBR-CRAIPNDOSA-N 1 0 378.480 2.800 20 0 GFADRO Cc1cc(C)c2ncc(-c3nn[nH]n3)c(NC3CC[NH+](CC4CC4)CC3)c2c1 ZINC000822195503 599485675 /nfs/dbraw/zinc/48/56/75/599485675.db2.gz UEWFOWSOKKGITE-UHFFFAOYSA-N 1 0 377.496 2.740 20 0 GFADRO c1nc2ccc(-c3nn[nH]n3)cn2c1C[NH2+]C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000738426628 599487143 /nfs/dbraw/zinc/48/71/43/599487143.db2.gz FVAXFIRGBCGHON-OXJNMPFZSA-N 1 0 389.463 2.772 20 0 GFADRO FC(F)(F)c1cc(-c2nn[nH]n2)ccc1NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000737627311 599520788 /nfs/dbraw/zinc/52/07/88/599520788.db2.gz PDBKGAYYEQBFJO-AWEZNQCLSA-N 1 0 396.417 2.941 20 0 GFADRO C[C@H](CNC(=O)c1cccc(Nc2ccc(-c3nn[nH]n3)cc2)c1)[N@H+](C)C1CC1 ZINC000736025266 599566566 /nfs/dbraw/zinc/56/65/66/599566566.db2.gz DDBPLJZRNKLZOF-CQSZACIVSA-N 1 0 391.479 2.823 20 0 GFADRO Cc1ccc([C@H](O)C[NH+]2CCC(Oc3cccc(-c4nn[nH]n4)c3)CC2)cc1 ZINC000822230503 599572608 /nfs/dbraw/zinc/57/26/08/599572608.db2.gz IOWYZGCIGJRERX-HXUWFJFHSA-N 1 0 379.464 2.752 20 0 GFADRO C[NH+](C)C1(CNc2cc(-c3nn[nH]n3)nc3ccccc32)Cc2ccccc2C1 ZINC000821581426 599581536 /nfs/dbraw/zinc/58/15/36/599581536.db2.gz KXLAZCIYEJMYMH-UHFFFAOYSA-N 1 0 385.475 2.926 20 0 GFADRO Cc1ccccc1[C@@H]1C[C@H](C)[N@@H+](CC(=O)Nc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000737419985 599584908 /nfs/dbraw/zinc/58/49/08/599584908.db2.gz GMKCRWJCBQZNJS-DOTOQJQBSA-N 1 0 376.464 2.992 20 0 GFADRO COc1ccccc1[C@H]1CC[N@H+](CCC(=O)Nc2sccc2-c2nn[nH]n2)C1 ZINC000737146597 599592718 /nfs/dbraw/zinc/59/27/18/599592718.db2.gz HQXXIQIFTKUXCA-ZDUSSCGKSA-N 1 0 398.492 2.755 20 0 GFADRO O=C(c1ccc(F)cc1)[C@H]1CCC[N@H+](CCOc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000738265888 599593149 /nfs/dbraw/zinc/59/31/49/599593149.db2.gz FGUHMEUSFGWNPE-KRWDZBQOSA-N 1 0 395.438 2.980 20 0 GFADRO CCC[N@H+](CCC(=O)Nc1cccc(-c2nn[nH]n2)c1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000821094786 599639066 /nfs/dbraw/zinc/63/90/66/599639066.db2.gz QOGCJWFCTKVKDI-BHIYHBOVSA-N 1 0 398.511 2.721 20 0 GFADRO C[C@H](NC(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C)c1cccc(-c2nn[nH]n2)c1 ZINC000820357768 599665088 /nfs/dbraw/zinc/66/50/88/599665088.db2.gz JRWBVYDTGVLUNJ-UGSOOPFHSA-N 1 0 397.458 2.669 20 0 GFADRO C[C@H](NC(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C)c1cccc(-c2nn[nH]n2)c1 ZINC000820357766 599665179 /nfs/dbraw/zinc/66/51/79/599665179.db2.gz JRWBVYDTGVLUNJ-SCLBCKFNSA-N 1 0 397.458 2.669 20 0 GFADRO CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)N[C@@H](C)c1ccc(-c3nn[nH]n3)cc1)CC2 ZINC000820352561 599670280 /nfs/dbraw/zinc/67/02/80/599670280.db2.gz VZXDMSLKBVPTGA-QGTPRVQTSA-N 1 0 383.500 2.584 20 0 GFADRO CC[N@H+](C)Cc1cccc(CNC(=O)N[C@@H](C)c2cccc(-c3nn[nH]n3)c2)c1 ZINC000821165063 599673415 /nfs/dbraw/zinc/67/34/15/599673415.db2.gz OIUMEFKGISZUGH-HNNXBMFYSA-N 1 0 393.495 2.879 20 0 GFADRO CC[C@@H](C)C[C@@H](C)NC(=O)N(CC[NH+](C)C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000820869213 599678425 /nfs/dbraw/zinc/67/84/25/599678425.db2.gz DZWIMSHVTNODCV-HZPDHXFCSA-N 1 0 387.532 2.765 20 0 GFADRO C[C@H](NC(=O)N1CCC([NH+]2CCCCC2)CC1)c1cccc(-c2nn[nH]n2)c1 ZINC000820342057 599682173 /nfs/dbraw/zinc/68/21/73/599682173.db2.gz SRAZWKIWEIEGHV-HNNXBMFYSA-N 1 0 383.500 2.588 20 0 GFADRO COc1ccc(C[N@@H+]2CCCN(c3ccc(C)cc3)CC2)cc1-c1nn[nH]n1 ZINC000821794240 607389408 /nfs/dbraw/zinc/38/94/08/607389408.db2.gz CKMQSRNMVNDBKK-UHFFFAOYSA-N 1 0 378.480 2.896 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1cc(C(=O)[O-])ccc1C ZINC000737114525 599735111 /nfs/dbraw/zinc/73/51/11/599735111.db2.gz JRVWDIFMDSUVHX-QGZVFWFLSA-N 1 0 376.501 2.573 20 0 GFADRO CC[C@H](C[NH+]1CCCC1)NC(=O)Nc1ccc(OC(C)C)c(-c2nn[nH]n2)c1 ZINC000820901996 607424404 /nfs/dbraw/zinc/42/44/04/607424404.db2.gz HCFITROCQRINJO-CQSZACIVSA-N 1 0 387.488 2.650 20 0 GFADRO COc1ccc(C[N@H+](C)[C@H](C)c2ccc(-n3cncn3)cc2)cc1-c1nn[nH]n1 ZINC000821794772 607443091 /nfs/dbraw/zinc/44/30/91/607443091.db2.gz MXPUEAVQGZFWPE-CQSZACIVSA-N 1 0 390.451 2.649 20 0 GFADRO COc1ccc(-c2nn[nH]n2)cc1C[N@H+](CCCO)Cc1cccc(Cl)c1 ZINC000826181874 607473928 /nfs/dbraw/zinc/47/39/28/607473928.db2.gz QRDFRMNQASNITH-UHFFFAOYSA-N 1 0 387.871 2.913 20 0 GFADRO COc1ccc(C[NH+]2CCC(C(=O)c3ccccc3)CC2)cc1-c1nn[nH]n1 ZINC000826193650 607480357 /nfs/dbraw/zinc/48/03/57/607480357.db2.gz KEUKFOJKCYQPKX-UHFFFAOYSA-N 1 0 377.448 2.970 20 0 GFADRO COCC[N@H+](CCCc1ccccc1)Cc1ccc(OC)c(-c2nn[nH]n2)c1 ZINC000826158658 607490720 /nfs/dbraw/zinc/49/07/20/607490720.db2.gz XZYPBMGHKIUYNX-UHFFFAOYSA-N 1 0 381.480 2.957 20 0 GFADRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N[C@@H](C)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000820092252 607498283 /nfs/dbraw/zinc/49/82/83/607498283.db2.gz JSXYDKVRAACFPR-HOTGVXAUSA-N 1 0 385.516 2.595 20 0 GFADRO c1ccc2c(c1)CCN2CC1CC[NH+](Cc2ccnc(-c3nn[nH]n3)c2)CC1 ZINC000826523522 607500237 /nfs/dbraw/zinc/50/02/37/607500237.db2.gz PHEFNQNVTBQDOF-UHFFFAOYSA-N 1 0 375.480 2.536 20 0 GFADRO COc1ccc(CN2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)cc1-c1nn[nH]n1 ZINC000826194593 607502116 /nfs/dbraw/zinc/50/21/16/607502116.db2.gz QHDSPVSJEKAYIS-WMZOPIPTSA-N 1 0 384.528 2.962 20 0 GFADRO COc1ccc(C[NH+]2CCC(O)(c3cccc(C)c3C)CC2)cc1-c1nn[nH]n1 ZINC000826194441 607506407 /nfs/dbraw/zinc/50/64/07/607506407.db2.gz LSTPSQAAMLABER-UHFFFAOYSA-N 1 0 393.491 2.976 20 0 GFADRO COc1ccc(-c2nn[nH]n2)cc1C[NH+]1CCC(C(=O)Nc2ccccc2)CC1 ZINC000826182944 607513698 /nfs/dbraw/zinc/51/36/98/607513698.db2.gz ZAQFUYQERMBUHJ-UHFFFAOYSA-N 1 0 392.463 2.726 20 0 GFADRO FC(F)Oc1cc(-c2nn[nH]n2)ccc1C[N@@H+]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000826369840 607526928 /nfs/dbraw/zinc/52/69/28/607526928.db2.gz SOJDRPKZVAJFMW-DZGCQCFKSA-N 1 0 379.411 2.717 20 0 GFADRO FC(F)Oc1cc(-c2nn[nH]n2)ccc1C[N@@H+]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000826369843 607526972 /nfs/dbraw/zinc/52/69/72/607526972.db2.gz SOJDRPKZVAJFMW-ZFWWWQNUSA-N 1 0 379.411 2.717 20 0 GFADRO FC(F)Oc1cc(-c2nn[nH]n2)ccc1C[N@@H+]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000826369842 607527033 /nfs/dbraw/zinc/52/70/33/607527033.db2.gz SOJDRPKZVAJFMW-UKRRQHHQSA-N 1 0 379.411 2.717 20 0 GFADRO COC[C@H]([NH2+]Cc1cccc(OCc2ccccc2-c2nn[nH]n2)c1)C1CC1 ZINC000826150902 607539481 /nfs/dbraw/zinc/53/94/81/607539481.db2.gz OHQHAOVQFGGXDI-FQEVSTJZSA-N 1 0 379.464 2.960 20 0 GFADRO O=C([O-])N1CCC(CC[NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)CC1 ZINC000740498061 602650698 /nfs/dbraw/zinc/65/06/98/602650698.db2.gz RRFRERJKKATLFJ-UHFFFAOYSA-N 1 0 375.513 2.513 20 0 GFADRO C[C@H]([NH2+]C[C@H]1CCCN(C(=O)[O-])C1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000739034390 603273908 /nfs/dbraw/zinc/27/39/08/603273908.db2.gz MFVAJVTZRNLBQV-JKSUJKDBSA-N 1 0 378.492 2.618 20 0 GFADRO CC[C@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1c1ccc(-c2nn[nH]n2)cn1 ZINC000825060919 607679815 /nfs/dbraw/zinc/67/98/15/607679815.db2.gz UYJKFHRCBBBNSL-HNAYVOBHSA-N 1 0 392.511 2.702 20 0 GFADRO COc1ccc(C[NH2+]C2(c3cccc(-c4nn[nH]n4)c3)CC2)c(OC)c1OC ZINC000826201797 607704708 /nfs/dbraw/zinc/70/47/08/607704708.db2.gz DPHHMZIYIHTRFR-UHFFFAOYSA-N 1 0 381.436 2.671 20 0 GFADRO C[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)C[N@@H+]1Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC000824883372 607750236 /nfs/dbraw/zinc/75/02/36/607750236.db2.gz GSXRJRMCFQYSRZ-OCCSQVGLSA-N 1 0 390.463 2.741 20 0 GFADRO CCOc1cc(Cl)ccc1C[NH2+]Cc1cnc2ccc(-c3nn[nH]n3)cn12 ZINC000825615699 607752775 /nfs/dbraw/zinc/75/27/75/607752775.db2.gz HGWGDECFEYOCKF-UHFFFAOYSA-N 1 0 383.843 2.856 20 0 GFADRO C[C@H](C[C@H]1CCCCCN1C(=O)[O-])[NH2+]C1CCN(C2CC[NH+](C)CC2)CC1 ZINC000824759929 605493236 /nfs/dbraw/zinc/49/32/36/605493236.db2.gz QUAHRHUJDYDJAS-YLJYHZDGSA-N 1 0 380.577 2.836 20 0 GFADRO CC(C)C[C@@H](C)NC(=O)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000824230098 607761609 /nfs/dbraw/zinc/76/16/09/607761609.db2.gz ZQAYERSNZNHTDZ-MRXNPFEDSA-N 1 0 385.516 2.519 20 0 GFADRO O=C(CCc1ccc(-c2nn[nH]n2)cc1)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000826408253 607767494 /nfs/dbraw/zinc/76/74/94/607767494.db2.gz XHQVRCXRGPKBCC-UHFFFAOYSA-N 1 0 396.539 2.914 20 0 GFADRO C[C@H](NC(=O)c1ccc(Nc2cc[nH+]cc2)cc1)c1cccc(-c2nn[nH]n2)c1 ZINC000820396561 606025597 /nfs/dbraw/zinc/02/55/97/606025597.db2.gz GPFJNKGOTRZEAF-AWEZNQCLSA-N 1 0 385.431 2.918 20 0 GFADRO Cc1cc(C)c(-c2nn[nH]n2)c(N(C)[C@H]2CCC[N@H+](Cc3ccccc3)C2)n1 ZINC000822192036 606046661 /nfs/dbraw/zinc/04/66/61/606046661.db2.gz XHAOGFPEJRBPNA-SFHVURJKSA-N 1 0 377.496 2.979 20 0 GFADRO COc1ccccc1[C@H](CNc1ccc(-c2nn[nH]n2)nc1)[NH+]1CCCCC1 ZINC000821883348 606052007 /nfs/dbraw/zinc/05/20/07/606052007.db2.gz UALXZHDRKCFPQN-SFHVURJKSA-N 1 0 379.468 2.909 20 0 GFADRO CC[N@H+](CCC(=O)Nc1ccccc1-c1nn[nH]n1)[C@H](C)c1cccc(O)c1 ZINC000821207714 606071324 /nfs/dbraw/zinc/07/13/24/606071324.db2.gz SQHAQBYWMJLHPB-CQSZACIVSA-N 1 0 380.452 2.984 20 0 GFADRO CCC(CC)(CC)[NH2+]CC(=O)Nc1c(-c2nn[nH]n2)cnn1-c1ccccc1 ZINC000820887841 606086411 /nfs/dbraw/zinc/08/64/11/606086411.db2.gz UIWYEOHPBDTTJW-UHFFFAOYSA-N 1 0 382.472 2.549 20 0 GFADRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(Cc2cn3ccccc3c2-c2nn[nH]n2)C1 ZINC000821614322 606089130 /nfs/dbraw/zinc/08/91/30/606089130.db2.gz AICZVOHSVUDSFS-LJQANCHMSA-N 1 0 387.491 2.826 20 0 GFADRO C[C@@H]1[C@H](Cc2ccccc2)CC[N@@H+]1C[C@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000820642734 606112210 /nfs/dbraw/zinc/11/22/10/606112210.db2.gz LBYUIIVCCHFQBJ-UXPWSPDFSA-N 1 0 393.491 2.560 20 0 GFADRO COc1ccc(Cl)cc1NC(=O)CC[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC000821827488 606166406 /nfs/dbraw/zinc/16/64/06/606166406.db2.gz CQTPXLAEKINGIJ-UHFFFAOYSA-N 1 0 386.843 2.647 20 0 GFADRO C[C@H]([NH2+][C@H]1CCN(c2ccc(-c3nn[nH]n3)cc2)C1=O)[C@@H](C)c1ccccc1 ZINC000820413728 606173197 /nfs/dbraw/zinc/17/31/97/606173197.db2.gz UZRCHDLOBJHQPR-VCBZYWHSSA-N 1 0 376.464 2.754 20 0 GFADRO O=C(CC[N@@H+]1CCSC2(CCCCC2)C1)Nc1cccc(-c2nn[nH]n2)c1 ZINC000822969639 606186878 /nfs/dbraw/zinc/18/68/78/606186878.db2.gz VDOXXJNWULSGPP-UHFFFAOYSA-N 1 0 386.525 2.947 20 0 GFADRO CC[C@@H](C)[C@H](C)[N@H+](CCS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)C1CC1 ZINC000820859467 606187106 /nfs/dbraw/zinc/18/71/06/606187106.db2.gz DXSQYUHQYRXNIP-KGLIPLIRSA-N 1 0 377.514 2.539 20 0 GFADRO O[C@H](C[C@H]1CCC[N@@H+]1CCOc1cccc(-c2nn[nH]n2)c1)c1cccs1 ZINC000823673727 606187702 /nfs/dbraw/zinc/18/77/02/606187702.db2.gz MXDYDAIXZWRGQQ-NVXWUHKLSA-N 1 0 385.493 2.895 20 0 GFADRO O=S(=O)(CC[N@H+](CC1CC1)C1CCCCC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823557954 606188333 /nfs/dbraw/zinc/18/83/33/606188333.db2.gz WOXQUFWXHDZSLM-UHFFFAOYSA-N 1 0 389.525 2.685 20 0 GFADRO O=C(NCc1ccccc1C[NH+]1CCCCCC1)c1cc(-c2nn[nH]n2)c[nH]1 ZINC000823261127 606274645 /nfs/dbraw/zinc/27/46/45/606274645.db2.gz BNSPAXQIBVYTOX-UHFFFAOYSA-N 1 0 379.468 2.501 20 0 GFADRO CC(C)[C@](C)(CNC(=O)OC(C)(C)C)[NH2+]Cc1cc(-c2nn[nH]n2)cs1 ZINC000820017423 606307081 /nfs/dbraw/zinc/30/70/81/606307081.db2.gz WXYPDROZJRMPFL-KRWDZBQOSA-N 1 0 380.518 2.957 20 0 GFADRO C[C@H](C[N@H+](C)[C@@H]1CCN(c2sccc2-c2nn[nH]n2)C1=O)c1ccccc1 ZINC000820254688 606318461 /nfs/dbraw/zinc/31/84/61/606318461.db2.gz UWYMXJQVJVECJI-CZUORRHYSA-N 1 0 382.493 2.769 20 0 GFADRO CC1(C)C[N@H+](CCC(=O)Nc2sc3c(c2-c2nn[nH]n2)CCC3)CCS1 ZINC000820601126 606335343 /nfs/dbraw/zinc/33/53/43/606335343.db2.gz CENAPJGOOJELNB-UHFFFAOYSA-N 1 0 392.554 2.573 20 0 GFADRO COC(=O)[C@H](c1cccc(-c2nn[nH]n2)c1)[N@@H+]1CC[C@H](c2ccccc2)[C@@H]1C ZINC000821652022 606336595 /nfs/dbraw/zinc/33/65/95/606336595.db2.gz KVTGLXLQZKRYKN-JVPBZIDWSA-N 1 0 377.448 2.959 20 0 GFADRO O=C(Nc1ccc(F)cc1-c1nn[nH]n1)NC1CCC([NH+]2CCCCC2)CC1 ZINC000823344068 606354952 /nfs/dbraw/zinc/35/49/52/606354952.db2.gz PQNBFWREKJSNDZ-UHFFFAOYSA-N 1 0 387.463 2.924 20 0 GFADRO CC(C)(C)OC(=O)N1CCC[C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC000819933223 606413887 /nfs/dbraw/zinc/41/38/87/606413887.db2.gz KCTURKZRSQLHKK-LBPRGKRZSA-N 1 0 378.502 2.665 20 0 GFADRO COc1ccc(C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)cc1Br ZINC000821818001 606414779 /nfs/dbraw/zinc/41/47/79/606414779.db2.gz GZZFZWZYNBSIMT-UHFFFAOYSA-N 1 0 380.271 2.989 20 0 GFADRO CC[C@@H]1Oc2cc([C@@H](C)[NH2+]Cc3ccc(-c4nn[nH]n4)s3)ccc2NC1=O ZINC000821000927 606425702 /nfs/dbraw/zinc/42/57/02/606425702.db2.gz MADPQSBDLWDBIK-YGRLFVJLSA-N 1 0 384.465 2.889 20 0 GFADRO CC[C@H]1Oc2cc([C@@H](C)[NH2+]Cc3ccc(-c4nn[nH]n4)s3)ccc2NC1=O ZINC000821000926 606425770 /nfs/dbraw/zinc/42/57/70/606425770.db2.gz MADPQSBDLWDBIK-QMTHXVAHSA-N 1 0 384.465 2.889 20 0 GFADRO CC[C@@H](C[NH2+]Cc1cnc2ccc(-c3nn[nH]n3)cn12)Oc1ccccc1F ZINC000820907458 606427420 /nfs/dbraw/zinc/42/74/20/606427420.db2.gz CXQKKHBLDZNNCK-HNNXBMFYSA-N 1 0 381.415 2.601 20 0 GFADRO c1ccc(CCCO[C@H]2CC[N@H+](CCOc3ccc(-c4nn[nH]n4)cc3)C2)cc1 ZINC000823780808 606456019 /nfs/dbraw/zinc/45/60/19/606456019.db2.gz WYRANEYAKSFXMH-NRFANRHFSA-N 1 0 393.491 2.969 20 0 GFADRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc(-c2nn[nH]n2)c1)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000820402330 606471941 /nfs/dbraw/zinc/47/19/41/606471941.db2.gz CTQCGJXJVPQKJZ-SSHHRWTQSA-N 1 0 392.463 2.737 20 0 GFADRO Cn1c(Cl)nc(Cl)c1C[NH2+]CCSCc1ccccc1-c1nn[nH]n1 ZINC000822600681 606472584 /nfs/dbraw/zinc/47/25/84/606472584.db2.gz PMIFYBMJFAQQMM-UHFFFAOYSA-N 1 0 398.323 2.930 20 0 GFADRO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@H]1N2C(=O)c1cc(-c2nn[nH]n2)cs1 ZINC000822274703 606487763 /nfs/dbraw/zinc/48/77/63/606487763.db2.gz GNCDXJDQXHBRLM-GOEBONIOSA-N 1 0 380.477 2.685 20 0 GFADRO FC(F)Oc1cc(-c2nn[nH]n2)ccc1CN1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000822732547 606489650 /nfs/dbraw/zinc/48/96/50/606489650.db2.gz JOCLANOXCRUTEN-MRXNPFEDSA-N 1 0 392.454 2.918 20 0 GFADRO COc1cc(-c2nn[nH]n2)ccc1OCC[N@@H+]1CCS[C@H]2CCCC[C@@H]21 ZINC000821702519 606525539 /nfs/dbraw/zinc/52/55/39/606525539.db2.gz WBOYGDLJTBVNCK-YOEHRIQHSA-N 1 0 375.498 2.614 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)c1ccc(-c2nn[nH]n2)s1)c1ccc(Cl)cc1 ZINC000821580070 606580948 /nfs/dbraw/zinc/58/09/48/606580948.db2.gz YGQKCQHZZGWVEC-GFCCVEGCSA-N 1 0 376.873 2.614 20 0 GFADRO CC(C)C1(CNC(=O)N2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)CC1 ZINC000820033518 606613499 /nfs/dbraw/zinc/61/34/99/606613499.db2.gz VTJKHBDBBCIEGD-UHFFFAOYSA-N 1 0 397.527 2.520 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@H](NC(=S)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)C1 ZINC000821581757 606618884 /nfs/dbraw/zinc/61/88/84/606618884.db2.gz UQYCBNFJLKGZGM-CMPLNLGQSA-N 1 0 379.921 2.679 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)c2ccccc2-c2ccccc2-c2nn[nH]n2)C[N@@H+]1C1CC1 ZINC000820655417 606624187 /nfs/dbraw/zinc/62/41/87/606624187.db2.gz AYUMFYODMOFUSR-CABCVRRESA-N 1 0 388.475 2.889 20 0 GFADRO CCCC[N@H+](CC)CC(=O)Nc1c(-c2nn[nH]n2)c(C)c(C)n1Cc1ccco1 ZINC000821061031 606661271 /nfs/dbraw/zinc/66/12/71/606661271.db2.gz KMCKIWQKTSANNQ-UHFFFAOYSA-N 1 0 399.499 2.987 20 0 GFADRO O=C(NCCCCCCC[NH+]1CCCC1)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000823187114 606674137 /nfs/dbraw/zinc/67/41/37/606674137.db2.gz BMNWPHBOMPRSEU-UHFFFAOYSA-N 1 0 392.454 2.921 20 0 GFADRO CC[N@H+]1C[C@H](NC(=O)c2cccc(Nc3ccc(-c4nn[nH]n4)cc3)c2)[C@@H](C)C1 ZINC000821242242 606694633 /nfs/dbraw/zinc/69/46/33/606694633.db2.gz QYRVKKYYZUJEJQ-LIRRHRJNSA-N 1 0 391.479 2.680 20 0 GFADRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)cc1F ZINC000822229614 606716599 /nfs/dbraw/zinc/71/65/99/606716599.db2.gz YAUWUHUXGJDZIK-ACJLOTCBSA-N 1 0 380.427 2.770 20 0 GFADRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCN(c3sccc3-c3nn[nH]n3)C2=O)cc1F ZINC000822229259 606716741 /nfs/dbraw/zinc/71/67/41/606716741.db2.gz QESGHZCPKATQFB-ABAIWWIYSA-N 1 0 386.456 2.832 20 0 GFADRO CCC1(CC)CC[N@H+](CC(=O)Nc2c(-c3nn[nH]n3)cnn2-c2ccccc2)C1 ZINC000820958643 606718771 /nfs/dbraw/zinc/71/87/71/606718771.db2.gz WMQVPFAFZLQACX-UHFFFAOYSA-N 1 0 394.483 2.503 20 0 GFADRO CCCC[N@H+](CC)Cc1cccc(CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)c1 ZINC000821061126 606719243 /nfs/dbraw/zinc/71/92/43/606719243.db2.gz NIXRCAOEYLYZMM-UHFFFAOYSA-N 1 0 381.484 2.747 20 0 GFADRO c1ccc(N2CC[C@H]([NH2+]CCSCc3ccccc3-c3nn[nH]n3)C2)cc1 ZINC000823787410 606722706 /nfs/dbraw/zinc/72/27/06/606722706.db2.gz MNFXTISNMWCXHV-KRWDZBQOSA-N 1 0 380.521 2.968 20 0 GFADRO CC(C)Cc1ccc(C[N@@H+]2CCN(c3nccnc3-c3nn[nH]n3)C[C@@H]2C)cc1 ZINC000820108542 606781223 /nfs/dbraw/zinc/78/12/23/606781223.db2.gz MOMGADJQXCJNPY-INIZCTEOSA-N 1 0 392.511 2.566 20 0 GFADRO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)Nc2ccc(-c3nn[nH]n3)c(C(F)(F)F)c2)C1 ZINC000820752576 606835659 /nfs/dbraw/zinc/83/56/59/606835659.db2.gz OOQPBXQPEWYEFG-IINYFYTJSA-N 1 0 397.405 2.736 20 0 GFADRO CCN(CC)[C@H](C[NH2+]C[C@H](O)c1ccc(-c2nn[nH]n2)cc1)c1ccsc1 ZINC000821180245 606854104 /nfs/dbraw/zinc/85/41/04/606854104.db2.gz AROYDXLCFWDTFY-MSOLQXFVSA-N 1 0 386.525 2.634 20 0 GFADRO CCc1csc([C@@H]2CCC[N@H+](C[C@H](O)c3ccc(-c4nn[nH]n4)cc3)C2)n1 ZINC000821499732 606859030 /nfs/dbraw/zinc/85/90/30/606859030.db2.gz PMSCNPWCBAVNEF-WBVHZDCISA-N 1 0 384.509 2.799 20 0 GFADRO c1cc(CN2CC[NH+](CCCOc3cccc(-c4nn[nH]n4)c3)CC2)cs1 ZINC000823762199 606882606 /nfs/dbraw/zinc/88/26/06/606882606.db2.gz MEHSRGKJLSXUPB-UHFFFAOYSA-N 1 0 384.509 2.515 20 0 GFADRO CC1CCC([N@H+](C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)C[C@H]2CCCO2)CC1 ZINC000820690665 606902379 /nfs/dbraw/zinc/90/23/79/606902379.db2.gz PUPFXGGJODCIEJ-CVMOCDCISA-N 1 0 385.512 2.960 20 0 GFADRO CC[C@@H]1CN(C)c2ccccc2C[N@@H+]1C[C@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000820995547 606911095 /nfs/dbraw/zinc/91/10/95/606911095.db2.gz TZZSPVHQYGFKEG-QUCCMNQESA-N 1 0 378.480 2.631 20 0 GFADRO FC(F)(F)c1ccc(NC2CC[NH+](C[C@@H]3CCCO3)CC2)c(-c2nn[nH]n2)c1 ZINC000822723753 606921572 /nfs/dbraw/zinc/92/15/72/606921572.db2.gz NITHNCBSMBPUPD-AWEZNQCLSA-N 1 0 396.417 2.941 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000820705025 606936002 /nfs/dbraw/zinc/93/60/02/606936002.db2.gz RMDHMZHJJCHELO-QGZVFWFLSA-N 1 0 396.539 2.912 20 0 GFADRO Fc1ccc(C[NH+]2CCC(OC[C@H]3CCCCO3)CC2)cc1-c1nn[nH]n1 ZINC000822766861 606979351 /nfs/dbraw/zinc/97/93/51/606979351.db2.gz OVZKKLHEWBYEBM-MRXNPFEDSA-N 1 0 375.448 2.556 20 0 GFADRO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC000820384559 606982942 /nfs/dbraw/zinc/98/29/42/606982942.db2.gz ICAPRCBFZHMQTC-HUUCEWRRSA-N 1 0 386.500 2.992 20 0 GFADRO CC(C)(C)OC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cc(F)ccc1-c1nn[nH]n1 ZINC000819939523 607059730 /nfs/dbraw/zinc/05/97/30/607059730.db2.gz FMEMCTSYUNTYGD-HNNXBMFYSA-N 1 0 390.463 2.885 20 0 GFADRO C[C@@H]1C[N@H+](Cc2cc(F)ccc2-c2nn[nH]n2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000820760325 607067701 /nfs/dbraw/zinc/06/77/01/607067701.db2.gz QAVUTFCUDGVYHG-WBMJQRKESA-N 1 0 390.463 2.741 20 0 GFADRO Fc1cccc(CN2CC[NH+](Cc3cn4ccccc4c3-c3nn[nH]n3)CC2)c1 ZINC000822786089 607077575 /nfs/dbraw/zinc/07/75/75/607077575.db2.gz CVQVULAYGTWOJF-UHFFFAOYSA-N 1 0 391.454 2.576 20 0 GFADRO C[C@H](Cc1ccc(O)cc1)[N@H+](C)Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)o1 ZINC000820300979 607078176 /nfs/dbraw/zinc/07/81/76/607078176.db2.gz UDFPMWVBQBGOSX-CYBMUJFWSA-N 1 0 391.435 2.685 20 0 GFADRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)Nc1ccc(-c2nn[nH]n2)cc1Cl ZINC000821599112 607199131 /nfs/dbraw/zinc/19/91/31/607199131.db2.gz GDVFQNYXYZZYPL-ZDUSSCGKSA-N 1 0 377.880 2.858 20 0 GFADRO OC[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)Cc1ccc(C(F)(F)F)cc1 ZINC000823706928 607230100 /nfs/dbraw/zinc/23/01/00/607230100.db2.gz RUHQUFJFVVHGJS-LBPRGKRZSA-N 1 0 397.426 2.888 20 0 GFADRO C[C@@H]1C[C@@H](CCNC(=O)c2ccc(-c3nn[nH]n3)s2)C[N@@H+]1Cc1ccccc1 ZINC000824886277 607795531 /nfs/dbraw/zinc/79/55/31/607795531.db2.gz WRVPFXLQLYFGII-GDBMZVCRSA-N 1 0 396.520 2.959 20 0 GFADRO CC1(c2ccccc2)CC[NH+](CC(=O)NCc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000824843173 607800847 /nfs/dbraw/zinc/80/08/47/607800847.db2.gz BIPVMYYIHUHZJF-UHFFFAOYSA-N 1 0 390.491 2.537 20 0 GFADRO O=S(=O)(CC[NH2+][C@@H]1CC[C@H]2CCCC[C@H]2C1)c1cccc(-c2nn[nH]n2)c1 ZINC000826485497 607815111 /nfs/dbraw/zinc/81/51/11/607815111.db2.gz SPWHREGHXNZJQZ-HLLBOEOZSA-N 1 0 389.525 2.589 20 0 GFADRO CC[C@H](C)[C@@H]1CCCC[N@@H+]1CCS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000825061199 607816175 /nfs/dbraw/zinc/81/61/75/607816175.db2.gz WVZUJWBZSICGSL-YOEHRIQHSA-N 1 0 377.514 2.541 20 0 GFADRO CC(C)CC[C@H]1CCC[N@@H+]1CCS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000824243767 607829284 /nfs/dbraw/zinc/82/92/84/607829284.db2.gz NVRBZRDFFIGPEE-MRXNPFEDSA-N 1 0 377.514 2.541 20 0 GFADRO C[C@@H]([NH2+]Cc1ccccc1-c1nn[nH]n1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000824617674 607908969 /nfs/dbraw/zinc/90/89/69/607908969.db2.gz JQLBGUKCNRKYNP-GDBMZVCRSA-N 1 0 386.500 2.992 20 0 GFADRO CCOc1ccccc1C[N@H+](C)Cc1cccc(C(=O)OC)c1-c1nn[nH]n1 ZINC000825653795 607921696 /nfs/dbraw/zinc/92/16/96/607921696.db2.gz KBZDVTLACDAKMF-UHFFFAOYSA-N 1 0 381.436 2.684 20 0 GFADRO O[C@@H]1C[C@@H](c2ccc(F)cc2)[N@H+](CCCOc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000826506444 607942885 /nfs/dbraw/zinc/94/28/85/607942885.db2.gz UUPRNXZKDOZWJM-MJGOQNOKSA-N 1 0 383.427 2.583 20 0 GFADRO COCC[C@@H](c1ccccc1)[NH+]1CCN(c2cccc(F)c2-c2nn[nH]n2)CC1 ZINC000826155264 607958706 /nfs/dbraw/zinc/95/87/06/607958706.db2.gz KZAWQXZKGADIAL-SFHVURJKSA-N 1 0 396.470 2.906 20 0 GFADRO C[C@H](NC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824500802 607979419 /nfs/dbraw/zinc/97/94/19/607979419.db2.gz ZLUXZFUFXSTPNI-GDIGMMSISA-N 1 0 391.479 2.672 20 0 GFADRO C[C@H]1C[NH+](CCCNc2ccc(-c3nn[nH]n3)cc2Br)C[C@H](C)O1 ZINC000824983944 607988357 /nfs/dbraw/zinc/98/83/57/607988357.db2.gz DMQWJOYHKDYUSW-RYUDHWBXSA-N 1 0 395.305 2.540 20 0 GFADRO CN1CC[N@H+](CCCOc2ccc(-c3nn[nH]n3)cc2)[C@@H](c2ccccc2)C1 ZINC000826038871 608079293 /nfs/dbraw/zinc/07/92/93/608079293.db2.gz ZPGNNIKNAYBKPW-HXUWFJFHSA-N 1 0 378.480 2.624 20 0 GFADRO C[C@@H]([NH2+][C@H]1CCCN(c2ccccc2F)C1=O)c1cccc(-c2nn[nH]n2)c1 ZINC000824547855 608110691 /nfs/dbraw/zinc/11/06/91/608110691.db2.gz SZMUJSNNSMPWNH-DYVFJYSZSA-N 1 0 380.427 2.852 20 0 GFADRO Cc1ccc([C@H]2CC[N@H+](CCC(=O)Nc3ccc(-c4nn[nH]n4)cc3)C2)cc1 ZINC000826285511 608126340 /nfs/dbraw/zinc/12/63/40/608126340.db2.gz BNGJUGDNCHJLBB-SFHVURJKSA-N 1 0 376.464 2.993 20 0 GFADRO Cc1cccc([C@@H]2CC[N@H+](CCC(=O)Nc3ccccc3-c3nn[nH]n3)C2)c1 ZINC000826297859 608128180 /nfs/dbraw/zinc/12/81/80/608128180.db2.gz VKOVZUDZXANTNB-QGZVFWFLSA-N 1 0 376.464 2.993 20 0 GFADRO C[C@@]1([NH2+]Cc2ccc(-c3nn[nH]n3)cc2Br)CCO[C@H]1C1CC1 ZINC000824838298 608132935 /nfs/dbraw/zinc/13/29/35/608132935.db2.gz NSWWIPIXMYCPKW-GOEBONIOSA-N 1 0 378.274 2.676 20 0 GFADRO CC[N@H+](CCC1CCN(C(=O)Cc2cccc(-c3nn[nH]n3)c2)CC1)CC1CC1 ZINC000825420070 608202559 /nfs/dbraw/zinc/20/25/59/608202559.db2.gz ZZVULRZNTWKYTC-UHFFFAOYSA-N 1 0 396.539 2.770 20 0 GFADRO C[C@H](CCO)[N@H+](CCCOc1cccc(-c2nn[nH]n2)c1)Cc1ccccc1 ZINC000824405863 608267309 /nfs/dbraw/zinc/26/73/09/608267309.db2.gz AGUUVURZLRGSDV-QGZVFWFLSA-N 1 0 381.480 2.909 20 0 GFADRO Cc1ccc(-c2nn[nH]n2)c(N2CCC(C[N@@H+](C)Cc3ccccc3)CC2)n1 ZINC000826274072 608281952 /nfs/dbraw/zinc/28/19/52/608281952.db2.gz GBFFAJUDDFUWFG-UHFFFAOYSA-N 1 0 377.496 2.919 20 0 GFADRO COc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(OC)c(-c3nn[nH]n3)c1)CCCO2 ZINC000826212045 608287709 /nfs/dbraw/zinc/28/77/09/608287709.db2.gz DUDXYKJBGHUEAB-KRWDZBQOSA-N 1 0 381.436 2.887 20 0 GFADRO C[C@H](NC(=O)N1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1)C(C)(C)C[NH+](C)C ZINC000824490920 608419393 /nfs/dbraw/zinc/41/93/93/608419393.db2.gz RCMGSAPUYRYWEV-HNNXBMFYSA-N 1 0 397.527 2.642 20 0 GFADRO COc1cc(-c2nn[nH]n2)ccc1OCC[NH2+][C@H](C)c1ccc(F)c(F)c1 ZINC000826176289 608426834 /nfs/dbraw/zinc/42/68/34/608426834.db2.gz JAGKYKYOXMQABV-LLVKDONJSA-N 1 0 375.379 2.883 20 0 GFADRO CCOc1ccccc1[C@@H](C)[NH2+]CCC(=O)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000825654046 608438570 /nfs/dbraw/zinc/43/85/70/608438570.db2.gz NDPKIYIPRVMVLO-CQSZACIVSA-N 1 0 380.452 2.945 20 0 GFADRO CC(C)Oc1cccc([C@H](C)[NH2+]C[C@H](O)COc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000824333217 608454204 /nfs/dbraw/zinc/45/42/04/608454204.db2.gz GPFFTVDPUPYUAL-YJBOKZPZSA-N 1 0 397.479 2.744 20 0 GFADRO C[C@H]([NH2+]Cc1cccc(-c2nn[nH]n2)c1F)c1cccc(N2CCOC2=O)c1 ZINC000824618193 608474184 /nfs/dbraw/zinc/47/41/84/608474184.db2.gz MWBAVYGHMGPJTN-LBPRGKRZSA-N 1 0 382.399 2.813 20 0 GFADRO C[C@H]([NH2+]Cc1ccc(F)cc1-c1nn[nH]n1)c1ccc(N2CCOC2=O)cc1 ZINC000824613000 608474623 /nfs/dbraw/zinc/47/46/23/608474623.db2.gz QSPZCZGCVHQKER-LBPRGKRZSA-N 1 0 382.399 2.813 20 0 GFADRO C[C@H]([NH2+]CCOc1ccccc1-c1nn[nH]n1)c1ccc(N2CCCC2=O)cc1 ZINC000824600206 608475941 /nfs/dbraw/zinc/47/59/41/608475941.db2.gz XYOMLHWBKJOBAC-HNNXBMFYSA-N 1 0 392.463 2.723 20 0 GFADRO CC[C@@H]([NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1)C(=O)Nc1ccc(OC)cc1 ZINC000825139173 608486304 /nfs/dbraw/zinc/48/63/04/608486304.db2.gz CPWOMYLCAOAQEK-SCLBCKFNSA-N 1 0 380.452 2.943 20 0 GFADRO COCCSc1ccc([C@H](C)[NH2+]C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000826163333 608495521 /nfs/dbraw/zinc/49/55/21/608495521.db2.gz PIMZWEFMJNFQCF-LIRRHRJNSA-N 1 0 399.520 2.989 20 0 GFADRO CN(C)C(=O)c1cccc(C[NH2+][C@@H]2CCCc3cc(-c4nn[nH]n4)ccc32)c1 ZINC000825848509 608498366 /nfs/dbraw/zinc/49/83/66/608498366.db2.gz FFDBMXBRNXMDQR-LJQANCHMSA-N 1 0 376.464 2.736 20 0 GFADRO O=C(c1ccoc1)N1CCC([NH2+][C@H]2CCCc3cc(-c4nn[nH]n4)ccc32)CC1 ZINC000826474896 608500906 /nfs/dbraw/zinc/50/09/06/608500906.db2.gz KFKKUGMYLJFVMM-IBGZPJMESA-N 1 0 392.463 2.732 20 0 GFADRO Cc1oc2ccccc2c1C[NH+]1CCN(c2ncccc2-c2nn[nH]n2)CC1 ZINC000826342309 608509637 /nfs/dbraw/zinc/50/96/37/608509637.db2.gz FRRGCLSXEKEMRF-UHFFFAOYSA-N 1 0 375.436 2.639 20 0 GFADRO CN(C)C(=O)[C@H](Cc1ccccc1)[NH2+][C@@H]1CCCc2cc(-c3nn[nH]n3)ccc21 ZINC000825833638 608510910 /nfs/dbraw/zinc/51/09/10/608510910.db2.gz JQSJCHCVEZKMPS-UXHICEINSA-N 1 0 390.491 2.533 20 0 GFADRO COC1CCN(C(C)(C)C[NH2+][C@@H]2CCCc3cc(-c4nn[nH]n4)ccc32)CC1 ZINC000826146698 608511344 /nfs/dbraw/zinc/51/13/44/608511344.db2.gz AHRSYFGMNMTVQR-LJQANCHMSA-N 1 0 384.528 2.723 20 0 GFADRO O=C1[C@H]([NH2+][C@@H]2CCCc3cc(-c4nn[nH]n4)ccc32)CCN1c1ccccc1F ZINC000826476742 608520544 /nfs/dbraw/zinc/52/05/44/608520544.db2.gz OCBNVZIZXBRPNF-QZTJIDSGSA-N 1 0 392.438 2.778 20 0 GFADRO COc1ccc2c(c1)OC[C@@H]([NH2+][C@@H]1CCCc3cc(-c4nn[nH]n4)ccc31)C2 ZINC000826213182 608526649 /nfs/dbraw/zinc/52/66/49/608526649.db2.gz NNZUCIRCZWJWAA-QFBILLFUSA-N 1 0 377.448 2.846 20 0 GFADRO CCc1ccc(CN(C)C(=O)C[NH2+]C2(c3cccc(-c4nn[nH]n4)c3)CC2)cc1 ZINC000825712747 608532061 /nfs/dbraw/zinc/53/20/61/608532061.db2.gz WWNHXIXKLVRABA-UHFFFAOYSA-N 1 0 390.491 2.666 20 0 GFADRO O=C(C[NH2+][C@@H](C[C@H]1CCOC1)c1ccccc1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000826412546 608552385 /nfs/dbraw/zinc/55/23/85/608552385.db2.gz SBWHVFKMWHOOSV-BEFAXECRSA-N 1 0 392.463 2.563 20 0 GFADRO C[C@H]([NH2+]CC(=O)Nc1ccc(-c2nn[nH]n2)cc1)c1cccc(N2CCCC2)c1 ZINC000824563371 608554505 /nfs/dbraw/zinc/55/45/05/608554505.db2.gz NKMQCUIDLZKBHG-HNNXBMFYSA-N 1 0 391.479 2.756 20 0 GFADRO C[C@@H]([NH2+]CCC(=O)Nc1sccc1-c1nn[nH]n1)c1cccc(F)c1F ZINC000824585509 608557289 /nfs/dbraw/zinc/55/72/89/608557289.db2.gz RZHHMGSJSCLJTC-SECBINFHSA-N 1 0 378.408 2.886 20 0 GFADRO CCOC(=O)C(F)(F)[C@@H]1CC[C@@H]([NH2+][C@@H](C)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000825491967 608579730 /nfs/dbraw/zinc/57/97/30/608579730.db2.gz AZVMVNMKIHBFIW-NILFDRSVSA-N 1 0 379.411 2.884 20 0 GFADRO CCOC(=O)C(F)(F)[C@@H]1CC[C@H]([NH2+][C@H](C)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000825491960 608579873 /nfs/dbraw/zinc/57/98/73/608579873.db2.gz AZVMVNMKIHBFIW-DFBGVHRSSA-N 1 0 379.411 2.884 20 0 GFADRO C[C@H](CCc1ccccc1)C[NH+]1CCN(c2ncccc2-c2nn[nH]n2)CC1 ZINC000824406316 608580015 /nfs/dbraw/zinc/58/00/15/608580015.db2.gz HIYFNUAQSOCXHN-QGZVFWFLSA-N 1 0 377.496 2.653 20 0 GFADRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)c1cccc(Oc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000824974710 608597180 /nfs/dbraw/zinc/59/71/80/608597180.db2.gz DHLOLGFIBNFXPM-LSDHHAIUSA-N 1 0 392.463 2.824 20 0 GFADRO C[N@H+](CCCOc1ccc(F)cc1)Cc1cnc2ccc(-c3nn[nH]n3)cn12 ZINC000825923579 608598292 /nfs/dbraw/zinc/59/82/92/608598292.db2.gz MXBCFYGFFSUAEV-UHFFFAOYSA-N 1 0 381.415 2.554 20 0 GFADRO COc1ccc(CCC[N@H+](C)Cc2cnc3ccc(-c4nn[nH]n4)cn23)cc1 ZINC000826192166 608612674 /nfs/dbraw/zinc/61/26/74/608612674.db2.gz BQENERSSJHHNBW-UHFFFAOYSA-N 1 0 377.452 2.588 20 0 GFADRO O[C@@H](c1ccccc1)[C@H]1CCCC[N@@H+]1Cc1cnc2ccc(-c3nn[nH]n3)cn12 ZINC000826505374 608661446 /nfs/dbraw/zinc/66/14/46/608661446.db2.gz UFTDLFWGSHTVIW-QUCCMNQESA-N 1 0 389.463 2.603 20 0 GFADRO CC(C)c1cnc(CN(C)[C@@H]2CC[N@H+](Cc3cc(-c4nn[nH]n4)cs3)C2)o1 ZINC000824352788 608739010 /nfs/dbraw/zinc/73/90/10/608739010.db2.gz NRUNMHPYXPYERB-CQSZACIVSA-N 1 0 387.513 2.746 20 0 GFADRO C[N@H+](Cc1ccc(-c2nn[nH]n2)s1)[C@@H](CO)c1cccc(Br)c1 ZINC000825961425 608740663 /nfs/dbraw/zinc/74/06/63/608740663.db2.gz FBCKKRBOYBIHNT-ZDUSSCGKSA-N 1 0 394.298 2.856 20 0 GFADRO c1ccc(C[N@@H+]2CCC[C@]3(CCN(c4cnccc4-c4nn[nH]n4)C3)C2)cc1 ZINC000826521605 608790181 /nfs/dbraw/zinc/79/01/81/608790181.db2.gz SAVRILALMILWMN-NRFANRHFSA-N 1 0 375.480 2.754 20 0 GFADRO CC[C@H]1CN(C)c2ccccc2C[N@@H+]1Cc1cnc2ccc(-c3nn[nH]n3)cn12 ZINC000825210643 608834432 /nfs/dbraw/zinc/83/44/32/608834432.db2.gz ITJSSFZHYZMWCU-KRWDZBQOSA-N 1 0 388.479 2.745 20 0 GFADRO c1ccc2c(c1)OCC[C@H]2C[N@@H+]1CCO[C@@H](c2cccc(-c3nn[nH]n3)c2)C1 ZINC000826513689 608852120 /nfs/dbraw/zinc/85/21/20/608852120.db2.gz SUJIDFKLTIBMDX-FXAWDEMLSA-N 1 0 377.448 2.806 20 0 GFADRO COc1ccc([C@@H](C[NH+]2CCCC2)NC(=O)c2sccc2-c2nn[nH]n2)cc1 ZINC000826188611 608863692 /nfs/dbraw/zinc/86/36/92/608863692.db2.gz BKDUTFQHJXJSTN-MRXNPFEDSA-N 1 0 398.492 2.504 20 0 GFADRO CCC1(CC)[C@H]([NH2+][C@H](C)C(=O)Nc2ccccc2-c2nn[nH]n2)[C@@H](C)[C@@H]1OC ZINC000825165087 608885692 /nfs/dbraw/zinc/88/56/92/608885692.db2.gz RTORLDVJOQLPJF-KFZJALRRSA-N 1 0 386.500 2.623 20 0 GFADRO C[C@H]([NH2+]Cc1cccc(N2CCOC2=O)c1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824618201 609135411 /nfs/dbraw/zinc/13/54/11/609135411.db2.gz MYWUMKXIKUYUDH-LBPRGKRZSA-N 1 0 382.399 2.813 20 0 GFADRO C[C@H]([NH2+]CCCS(=O)(=O)c1ccccc1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824591608 609137060 /nfs/dbraw/zinc/13/70/60/609137060.db2.gz JDRXBQWLAHPTQN-ZDUSSCGKSA-N 1 0 389.456 2.520 20 0 GFADRO CCc1cc(N2CCC([NH2+][C@@H](C)c3ccc(-c4nn[nH]n4)c(F)c3)CC2)ncn1 ZINC000825700546 609148316 /nfs/dbraw/zinc/14/83/16/609148316.db2.gz JVPGNUGNMYQTJU-ZDUSSCGKSA-N 1 0 396.474 2.678 20 0 GFADRO CC[C@@H]1CN(C(=O)C2CC2)CC[C@H]1[NH2+][C@@H](C)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000825205440 609148626 /nfs/dbraw/zinc/14/86/26/609148626.db2.gz WBGOBKFXAMQEJE-VEVIJQCQSA-N 1 0 386.475 2.694 20 0 GFADRO COc1ccccc1N1CC[C@H]([NH2+][C@@H](C)c2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC000826220635 609150301 /nfs/dbraw/zinc/15/03/01/609150301.db2.gz UMVYDEIMHLGYQD-ZFWWWQNUSA-N 1 0 382.443 2.944 20 0 GFADRO C[NH+]1CCC(C)(CNC(=O)c2ccccc2-c2ccccc2-c2nn[nH]n2)CC1 ZINC000826023120 609170496 /nfs/dbraw/zinc/17/04/96/609170496.db2.gz XKHZGPQYCFQAPY-UHFFFAOYSA-N 1 0 390.491 2.995 20 0 GFADRO O=C1[C@H]([NH2+]Cc2cncc3ccccc32)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826477086 609176925 /nfs/dbraw/zinc/17/69/25/609176925.db2.gz VKVMZLNDJHKAKP-HXUWFJFHSA-N 1 0 399.458 2.700 20 0 GFADRO CC(C)Cn1cc(NC2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)cn1 ZINC000824280588 609252492 /nfs/dbraw/zinc/25/24/92/609252492.db2.gz POJMEKITGSLBEI-UHFFFAOYSA-N 1 0 380.500 2.796 20 0 GFADRO C[C@H](OC(=O)c1cccc(-c2nn[nH]n2)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000824723365 609263728 /nfs/dbraw/zinc/26/37/28/609263728.db2.gz QMBWESWUFJUWOI-KXBFYZLASA-N 1 0 377.448 2.934 20 0 GFADRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1ccc(Cl)c(-c2nn[nH]n2)c1 ZINC000824874460 609289611 /nfs/dbraw/zinc/28/96/11/609289611.db2.gz CYDPIEBDGJJHSH-XQQFMLRXSA-N 1 0 376.892 2.616 20 0 GFADRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)Nc1cc(-c2nn[nH]n2)cn1C(C)(C)C ZINC000824377450 609333081 /nfs/dbraw/zinc/33/30/81/609333081.db2.gz FETPBIWHKOAOGM-ZDUSSCGKSA-N 1 0 388.520 2.617 20 0 GFADRO CC[C@@H]1CN(C(=O)C2CC2)CC[C@@H]1[NH2+][C@@H](C)c1ccc(-c2nn[nH]n2)cc1F ZINC000825204933 609339156 /nfs/dbraw/zinc/33/91/56/609339156.db2.gz UKPHLTFZXASYDE-JCGVRSQUSA-N 1 0 386.475 2.694 20 0 GFADRO Cn1cc(C[NH2+][C@@H]2C[C@@H]2Cc2ccccc2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826361300 609340138 /nfs/dbraw/zinc/34/01/38/609340138.db2.gz SCBSINYYBLQXHF-AZUAARDMSA-N 1 0 385.475 2.988 20 0 GFADRO COc1ccccc1N1CC[C@@H]([NH2+][C@H](C)c2ccc(-c3nn[nH]n3)cc2F)C1 ZINC000826220390 609340451 /nfs/dbraw/zinc/34/04/51/609340451.db2.gz MNMVLAMBTLIYHL-UKRRQHHQSA-N 1 0 382.443 2.944 20 0 GFADRO C[C@@H]([NH2+]CCCN(C(=O)C1CCC1)C1CC1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824584866 609340808 /nfs/dbraw/zinc/34/08/08/609340808.db2.gz INHFPKZPODMPSK-CYBMUJFWSA-N 1 0 386.475 2.838 20 0 GFADRO C[C@@H]([NH2+]C[C@@H]1COC2(CCC(C)CC2)O1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824915745 609347970 /nfs/dbraw/zinc/34/79/70/609347970.db2.gz IAIVVLXAKYOZCG-GHGJTTARSA-N 1 0 375.448 2.978 20 0 GFADRO C[C@@H](NC(=O)Nc1ccc(F)c(-c2nn[nH]n2)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000824506436 609352662 /nfs/dbraw/zinc/35/26/62/609352662.db2.gz ONWSRGKRMZCOHV-CHWSQXEVSA-N 1 0 387.463 2.780 20 0 GFADRO C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1Cc1ccc(-c2nn[nH]n2)cc1Br ZINC000825000149 609361746 /nfs/dbraw/zinc/36/17/46/609361746.db2.gz NDYAWOIPYZKMBD-DOMZBBRYSA-N 1 0 391.317 2.688 20 0 GFADRO Brc1cc(-c2nn[nH]n2)ccc1C[NH+]1CCC(c2c[nH]cn2)CC1 ZINC000823820941 609364956 /nfs/dbraw/zinc/36/49/56/609364956.db2.gz MTUOTCZOSLAUKM-UHFFFAOYSA-N 1 0 388.273 2.732 20 0 GFADRO CC[N@H+](CCNC(=O)c1ccccc1Oc1ccccc1-c1nn[nH]n1)C1CC1 ZINC000825424281 609379001 /nfs/dbraw/zinc/37/90/01/609379001.db2.gz DRPSYPAMEQTAEG-UHFFFAOYSA-N 1 0 392.463 2.873 20 0 GFADRO CC(C)[C@@H]1C[C@H](C[NH2+]C2CCN(c3ccc(-c4nn[nH]n4)cc3)CC2)CCO1 ZINC000824215319 609440792 /nfs/dbraw/zinc/44/07/92/609440792.db2.gz KYCGBXWOFFNUAY-UZLBHIALSA-N 1 0 384.528 2.876 20 0 GFADRO Cc1cc(-c2nn[nH]n2)ccc1C(=O)N[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000826246110 609457180 /nfs/dbraw/zinc/45/71/80/609457180.db2.gz RQMFJSHFXIGLKA-VQIMIIECSA-N 1 0 390.491 2.816 20 0 GFADRO Cc1ccnc(N2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)c1-c1nn[nH]n1 ZINC000826310586 609527322 /nfs/dbraw/zinc/52/73/22/609527322.db2.gz AMAZWWZSQZYEGS-UHFFFAOYSA-N 1 0 383.887 2.936 20 0 GFADRO Cc1ccnc(NCc2ccc(OCC[NH+]3CCCC3)cc2)c1-c1nn[nH]n1 ZINC000826314334 609552028 /nfs/dbraw/zinc/55/20/28/609552028.db2.gz ROYUKXFLIAASLK-UHFFFAOYSA-N 1 0 379.468 2.657 20 0 GFADRO Clc1cc(N2CCC(CCC[NH+]3CCOCC3)CC2)ccc1-c1nn[nH]n1 ZINC000826350784 609558997 /nfs/dbraw/zinc/55/89/97/609558997.db2.gz LBFGPPAQIPDOJF-UHFFFAOYSA-N 1 0 390.919 2.849 20 0 GFADRO Cc1cccc(C[NH2+][C@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)c1C ZINC000826298136 609600029 /nfs/dbraw/zinc/60/00/29/609600029.db2.gz FRUKJARIXVLXEZ-IBGZPJMESA-N 1 0 376.464 2.769 20 0 GFADRO O=C1[C@H]([NH2+]C/C=C/c2ccc(F)cc2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826477048 609600621 /nfs/dbraw/zinc/60/06/21/609600621.db2.gz USVAHYURBDFWPZ-VUQTYRPGSA-N 1 0 392.438 2.804 20 0 GFADRO COC(=O)C1=NOC2(C1)CC[NH+](Cc1ccc(OC)cc1Br)CC2 ZINC000817276331 660188627 /nfs/dbraw/zinc/18/86/27/660188627.db2.gz ZXAPVVVNFWVVSO-UHFFFAOYSA-N 1 0 397.269 2.742 20 0 GFADRO O=C(NC[C@@H]1CC[N@@H+]1C1CCCC1)Nc1nc2cc(Br)ccn2n1 ZINC000529115134 650701392 /nfs/dbraw/zinc/70/13/92/650701392.db2.gz ONMUMNORRAJRGQ-ZDUSSCGKSA-N 1 0 393.289 2.630 20 0 GFADRO Brc1csc([C@H]([NH2+]C[C@@H]2COC3(CCOCC3)O2)C2CC2)n1 ZINC000817580562 660201516 /nfs/dbraw/zinc/20/15/16/660201516.db2.gz LHQCDQZTHZBNEP-DGCLKSJQSA-N 1 0 389.315 2.868 20 0 GFADRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)COc3ccc(C=O)cc3Br)C2)C1 ZINC000818177715 660218707 /nfs/dbraw/zinc/21/87/07/660218707.db2.gz NKLXBNDCIOWAPZ-GOSISDBHSA-N 1 0 395.297 2.585 20 0 GFADRO COc1ncc(C(=O)N2CCCc3cc(C[NH3+])ccc32)cc1Br ZINC000818553264 660228572 /nfs/dbraw/zinc/22/85/72/660228572.db2.gz FTJJMXPGWDDBOF-UHFFFAOYSA-N 1 0 376.254 2.904 20 0 GFADRO Cc1ccc(-n2nc(Br)cc2C(=O)N2C[C@@H](C[NH3+])C[C@@H]2C)cc1 ZINC000818563488 660228784 /nfs/dbraw/zinc/22/87/84/660228784.db2.gz NILKYXRNOSMBRK-QWHCGFSZSA-N 1 0 377.286 2.753 20 0 GFADRO O[C@H](C[NH2+]C[C@H]1CCN(CC(F)(F)F)C1)c1ccccc1Br ZINC000818973508 660239770 /nfs/dbraw/zinc/23/97/70/660239770.db2.gz YCEHLYHQQMRNFM-BXUZGUMPSA-N 1 0 381.236 2.956 20 0 GFADRO O=S(=O)(CC[NH2+]C[C@@H](O)c1ccccc1Br)c1ccccc1 ZINC000818976534 660240421 /nfs/dbraw/zinc/24/04/21/660240421.db2.gz IMTXMSISPKBABM-MRXNPFEDSA-N 1 0 384.295 2.546 20 0 GFADRO O=C1[C@H]([NH2+]C[C@H](O)c2cccc(Br)c2)CCN1Cc1ccccc1 ZINC000818983652 660241343 /nfs/dbraw/zinc/24/13/43/660241343.db2.gz LZHJEUBUKMIOTL-MSOLQXFVSA-N 1 0 389.293 2.873 20 0 GFADRO Cc1ccccc1[C@H](O)C[NH2+]CCNC(=O)c1cccc(Br)c1 ZINC000818988978 660242001 /nfs/dbraw/zinc/24/20/01/660242001.db2.gz GQWOXYOJYKLMFB-QGZVFWFLSA-N 1 0 377.282 2.811 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CC[NH2+]C[C@H](O)c1ccc(F)cn1 ZINC000818990946 660242162 /nfs/dbraw/zinc/24/21/62/660242162.db2.gz UGPKUEPAKUREHC-INIZCTEOSA-N 1 0 396.260 2.943 20 0 GFADRO O=C(NCCC[NH2+]C[C@@H](O)c1ccccc1)c1cccc(Br)c1 ZINC000818993206 660242412 /nfs/dbraw/zinc/24/24/12/660242412.db2.gz YNXXJIPBOJAGNO-QGZVFWFLSA-N 1 0 377.282 2.892 20 0 GFADRO COC(=O)N1CCC[C@@H]([NH2+]C[C@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000819001267 660242916 /nfs/dbraw/zinc/24/29/16/660242916.db2.gz ARRSZUFNQYLZSY-NEPJUHHUSA-N 1 0 377.268 2.554 20 0 GFADRO COC(=O)N1CCC[C@@H]([NH2+]C[C@@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000819004123 660243165 /nfs/dbraw/zinc/24/31/65/660243165.db2.gz WCBMQDSOUGGWJL-CHWSQXEVSA-N 1 0 377.268 2.554 20 0 GFADRO CC(=O)N1CCC(C[NH2+]C[C@](C)(O)c2ccc(Br)cc2F)CC1 ZINC000819019734 660243772 /nfs/dbraw/zinc/24/37/72/660243772.db2.gz QHEJYJYOLMECPW-KRWDZBQOSA-N 1 0 387.293 2.644 20 0 GFADRO CC(C)(C)S(=O)(=O)CC[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Cl ZINC000819060646 660244958 /nfs/dbraw/zinc/24/49/58/660244958.db2.gz KFIHSABVBVJUEU-GFCCVEGCSA-N 1 0 384.325 2.536 20 0 GFADRO O[C@H](C[NH2+][C@@H]1CCN(c2ncccc2F)C1)c1ccccc1Br ZINC000819150312 660247999 /nfs/dbraw/zinc/24/79/99/660247999.db2.gz QYFRPBNRBIQBSJ-MLGOLLRUSA-N 1 0 380.261 2.885 20 0 GFADRO O[C@@H](C[NH2+][C@H]1CCN(c2ccccn2)C1)c1ccc(F)c(Br)c1 ZINC000819188928 660249609 /nfs/dbraw/zinc/24/96/09/660249609.db2.gz BMHHMXZCSNZNEB-BBRMVZONSA-N 1 0 380.261 2.885 20 0 GFADRO COCCS(=O)(=O)c1ccc(C[NH2+]C[C@H](O)c2ccc(Cl)cc2)cc1 ZINC000819264197 660252742 /nfs/dbraw/zinc/25/27/42/660252742.db2.gz NOEWETKXHPAQMR-SFHVURJKSA-N 1 0 383.897 2.583 20 0 GFADRO O=S(=O)(CC[NH2+]C[C@H](O)c1ccc(Cl)c(F)c1)CCc1ccccc1 ZINC000819290490 660253748 /nfs/dbraw/zinc/25/37/48/660253748.db2.gz DFRIDDNHSJOKLG-SFHVURJKSA-N 1 0 385.888 2.760 20 0 GFADRO Cn1ncc(CCC[NH2+]C[C@](C)(O)c2ccc(Br)cc2Cl)n1 ZINC000819330808 660255126 /nfs/dbraw/zinc/25/51/26/660255126.db2.gz DYHGMCGYRSDGOJ-HNNXBMFYSA-N 1 0 387.709 2.661 20 0 GFADRO CCO[C@@H]1C[C@H]([NH2+]C[C@@H](O)c2ccc(F)c(Br)c2)[C@H]1n1cccn1 ZINC000819333142 660255282 /nfs/dbraw/zinc/25/52/82/660255282.db2.gz KHNSJHFBSNAXBQ-YLFCFFPRSA-N 1 0 398.276 2.826 20 0 GFADRO CCN1C[C@H]([NH2+]C[C@](C)(O)c2ccc(Br)cc2Cl)CC1=O ZINC000819348339 660256191 /nfs/dbraw/zinc/25/61/91/660256191.db2.gz CDFINWWEXDMGKG-ABAIWWIYSA-N 1 0 375.694 2.520 20 0 GFADRO O[C@H](C[NH2+]Cc1cccc(N2CCOCC2)n1)c1ccccc1Br ZINC000819242784 660251597 /nfs/dbraw/zinc/25/15/97/660251597.db2.gz OOEDBPJJFZRREN-QGZVFWFLSA-N 1 0 392.297 2.504 20 0 GFADRO Cc1cc2cc(S(=O)(=O)N3CCC[C@H]4C[N@@H+](C)C[C@H]43)ccc2nc1Cl ZINC000819912181 660274398 /nfs/dbraw/zinc/27/43/98/660274398.db2.gz PQNIWSOKFZHMJH-SUMWQHHRSA-N 1 0 379.913 2.911 20 0 GFADRO Cc1cc(S(=O)(=O)N(C)C2CCC([NH3+])CC2)c(F)cc1Br ZINC000842737965 661351906 /nfs/dbraw/zinc/35/19/06/661351906.db2.gz TXDIGWHYCASNGG-UHFFFAOYSA-N 1 0 379.295 2.787 20 0 GFADRO CN(C(=O)c1ccc(NC(=O)C2(Br)CC2)cc1)[C@H]1CCC[N@H+](C)C1 ZINC000820252675 660286505 /nfs/dbraw/zinc/28/65/05/660286505.db2.gz HPNPYRFCHXPBDL-HNNXBMFYSA-N 1 0 394.313 2.719 20 0 GFADRO C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)c1cnn(Cc2ccccc2)c1Br ZINC000820559857 660297428 /nfs/dbraw/zinc/29/74/28/660297428.db2.gz ZRWXYSOVOLHZPQ-XJKSGUPXSA-N 1 0 391.313 2.859 20 0 GFADRO CC[C@H]1CN(C)CCN1C(=O)c1cc2ccc(Br)cc2c(=O)o1 ZINC000820728007 660303816 /nfs/dbraw/zinc/30/38/16/660303816.db2.gz GTICWGLYRNBYIA-ZDUSSCGKSA-N 1 0 379.254 2.722 20 0 GFADRO C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1ccc3c(Br)cnn3c1)C2 ZINC000821025802 660313540 /nfs/dbraw/zinc/31/35/40/660313540.db2.gz KULWBMONTZBCLL-QGZVFWFLSA-N 1 0 377.286 2.655 20 0 GFADRO C[NH+](C)[C@H]1CCN(c2ccc(NC(=O)c3csc(Br)n3)nc2)C1 ZINC000821124602 660316690 /nfs/dbraw/zinc/31/66/90/660316690.db2.gz AKDBQPPYOFNATI-NSHDSACASA-N 1 0 396.314 2.693 20 0 GFADRO CCn1ncc(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1Br ZINC000821124986 660316776 /nfs/dbraw/zinc/31/67/76/660316776.db2.gz JDYKLBSQGVFEIS-DOMZBBRYSA-N 1 0 381.318 2.754 20 0 GFADRO Cc1c(Br)ccc(F)c1C(=O)N1CCC(CO)([NH2+]C(C)C)CC1 ZINC000821269022 660319624 /nfs/dbraw/zinc/31/96/24/660319624.db2.gz CHZKVIPWODJDGN-UHFFFAOYSA-N 1 0 387.293 2.862 20 0 GFADRO C[C@@H](CNC(=O)c1csc(I)n1)[N@@H+]1CCCC[C@@H]1C ZINC000821986689 660337616 /nfs/dbraw/zinc/33/76/16/660337616.db2.gz WDZLQPIFBYZNBE-UWVGGRQHSA-N 1 0 393.294 2.740 20 0 GFADRO CC(C)(C)[NH2+]CCC(=O)NC[C@@H](CO)Cc1cc(Br)ccc1F ZINC000821827252 660334886 /nfs/dbraw/zinc/33/48/86/660334886.db2.gz UVQGMFKMVXSPFI-LBPRGKRZSA-N 1 0 389.309 2.634 20 0 GFADRO C[N@H+](CCCCNC(=O)[C@@](C)(O)c1ccc(F)c(Br)c1)C1CC1 ZINC000822272525 660342461 /nfs/dbraw/zinc/34/24/61/660342461.db2.gz RUXMFDZIOGFERT-KRWDZBQOSA-N 1 0 387.293 2.786 20 0 GFADRO C[N@@H+]1CCC[C@H](CCNC(=O)[C@](C)(O)c2ccc(F)c(Br)c2)C1 ZINC000822453330 660345765 /nfs/dbraw/zinc/34/57/65/660345765.db2.gz JCCJMNIQSMTMHA-SJKOYZFVSA-N 1 0 387.293 2.644 20 0 GFADRO C[N@@H+]1CCC[C@H](CCNC(=O)c2cc(Br)c3nccnc3c2)C1 ZINC000822455013 660345791 /nfs/dbraw/zinc/34/57/91/660345791.db2.gz ZCGPEYYSUBCANQ-GFCCVEGCSA-N 1 0 377.286 2.854 20 0 GFADRO Cc1cc(NC(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)cnc1Br ZINC000822493577 660346808 /nfs/dbraw/zinc/34/68/08/660346808.db2.gz YOFZSRBTOMLRNB-AWEZNQCLSA-N 1 0 385.306 2.727 20 0 GFADRO COc1cc(Br)cc(C(=O)N2CCC([N@@H+]3CCCOCC3)CC2)c1 ZINC000822580251 660348658 /nfs/dbraw/zinc/34/86/58/660348658.db2.gz ISCMVJAKVXOCKL-UHFFFAOYSA-N 1 0 397.313 2.785 20 0 GFADRO COc1cc(/C=C/C(=O)NC[C@@H](C2CC2)[NH+](C)C)cc(Br)c1O ZINC000822629415 660350367 /nfs/dbraw/zinc/35/03/67/660350367.db2.gz MUZOAPRPRSYTCX-GBXSZLQWSA-N 1 0 383.286 2.633 20 0 GFADRO O=S(=O)(Cc1noc([C@@H]2C[C@H]2C2CC[NH2+]CC2)n1)c1ccc(Cl)cc1 ZINC000822905798 660357559 /nfs/dbraw/zinc/35/75/59/660357559.db2.gz HRANCQHTKYUFNR-LSDHHAIUSA-N 1 0 381.885 2.800 20 0 GFADRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)C[C@@]2(C)CC2(Cl)Cl)CC1 ZINC000822912740 660357913 /nfs/dbraw/zinc/35/79/13/660357913.db2.gz JDIMZSSZCVVYKO-UXLLHSPISA-N 1 0 376.372 2.977 20 0 GFADRO C[C@@H]1[NH2+]CC[C@H]1c1nc(Cc2nc3ccc(Br)cc3c(=O)[nH]2)no1 ZINC000822918479 660358089 /nfs/dbraw/zinc/35/80/89/660358089.db2.gz BCOISMWZVNEAKC-WCBMZHEXSA-N 1 0 390.241 2.537 20 0 GFADRO COc1ccc(Cc2noc([C@@H]3CCC[NH2+]C3)n2)c(Br)c1OC ZINC000822946948 660358666 /nfs/dbraw/zinc/35/86/66/660358666.db2.gz LGFTYOLTTSHOOO-LLVKDONJSA-N 1 0 382.258 2.907 20 0 GFADRO CCOC(=O)c1ncn(C2CC[NH+](CC[C@@H]3CC3(Cl)Cl)CC2)c1N ZINC000822973672 660359301 /nfs/dbraw/zinc/35/93/01/660359301.db2.gz YJEKOVWHKUJCRD-LLVKDONJSA-N 1 0 375.300 2.863 20 0 GFADRO Cc1cc([C@H]([NH3+])Cc2nc(-c3cnn(C)c3Br)no2)cc(Cl)n1 ZINC000823098418 660361838 /nfs/dbraw/zinc/36/18/38/660361838.db2.gz CQMNVQXTKCZIBV-SNVBAGLBSA-N 1 0 397.664 2.832 20 0 GFADRO Ic1cnc2ccc(-c3noc([C@@H]4CCCC[NH2+]4)n3)cn12 ZINC000823116025 660362235 /nfs/dbraw/zinc/36/22/35/660362235.db2.gz PCZDIUZWLTUHTJ-JTQLQIEISA-N 1 0 395.204 2.804 20 0 GFADRO CC(C)[C@H](CNC(=O)OC(C)(C)C)C[NH2+][C@H]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000823911391 660382787 /nfs/dbraw/zinc/38/27/87/660382787.db2.gz GWOMKXZITJZKPB-HRCADAONSA-N 1 0 376.563 2.729 20 0 GFADRO C[C@H]1C[C@H](C[NH2+]C(C)(C)CCS(C)(=O)=O)CCN1C(=O)OC(C)(C)C ZINC000823949569 660383171 /nfs/dbraw/zinc/38/31/71/660383171.db2.gz MANPXQOPZZMSPW-LSDHHAIUSA-N 1 0 376.563 2.825 20 0 GFADRO NS(=O)(=O)c1cnc(NC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)s1 ZINC000515149472 648482577 /nfs/dbraw/zinc/48/25/77/648482577.db2.gz VUFMWFNBWNFJLR-OAHLLOKOSA-N 1 0 380.539 2.505 20 0 GFADRO C[C@]1(C(=O)N[C@H]2C[C@@H]([NH+]3CCCC3)C2)CC1(Br)Br ZINC000824111533 660385649 /nfs/dbraw/zinc/38/56/49/660385649.db2.gz LQLMFUJVMSZUHN-JFGNBEQYSA-N 1 0 380.124 2.626 20 0 GFADRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)c2cc3ccc(Br)cc3c(=O)o2)C1 ZINC000824270505 660388640 /nfs/dbraw/zinc/38/86/40/660388640.db2.gz MGTPBYSFNVVOHX-GSJFWJNXSA-N 1 0 379.254 2.626 20 0 GFADRO C[C@@H](C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)c1ccc(I)cc1 ZINC000824276577 660388731 /nfs/dbraw/zinc/38/87/31/660388731.db2.gz ZTHMNHDJVGTLQF-JMSVASOKSA-N 1 0 386.277 2.851 20 0 GFADRO COCC(C)(C)[NH+]1CCN(C(=O)Nc2cc(Br)ncc2C)CC1 ZINC000824294364 660389084 /nfs/dbraw/zinc/38/90/84/660389084.db2.gz QKHCJRXHUGIMBV-UHFFFAOYSA-N 1 0 385.306 2.727 20 0 GFADRO C[C@H](C[C@H](C)[NH2+]C1CCC(CS(C)(=O)=O)CC1)NC(=O)OC(C)(C)C ZINC000824533537 660396301 /nfs/dbraw/zinc/39/63/01/660396301.db2.gz HDLPLMRFBVSEEA-QRNKSROTSA-N 1 0 376.563 2.871 20 0 GFADRO CCOc1ccc(S(=O)(=O)NCCCCCC[NH3+])cc1Br ZINC000842918608 661360420 /nfs/dbraw/zinc/36/04/20/661360420.db2.gz GAZFSYMTPXYACI-UHFFFAOYSA-N 1 0 379.320 2.645 20 0 GFADRO Cc1nn2c(nc(C)c2C[NH2+]C[C@H](O)c2ccccc2Br)s1 ZINC000825343879 660421947 /nfs/dbraw/zinc/42/19/47/660421947.db2.gz RCMWQSYGUAEPDD-AWEZNQCLSA-N 1 0 381.299 2.993 20 0 GFADRO Cc1cc(C)n2c(C[NH2+]C[C@@H](O)c3ccccc3Br)cnc2n1 ZINC000825342765 660421965 /nfs/dbraw/zinc/42/19/65/660421965.db2.gz GHWDLWUDJNLOAL-MRXNPFEDSA-N 1 0 375.270 2.932 20 0 GFADRO C[NH+](C)CCN(C(=O)c1c(Br)nc2n1CCC2)c1ccccc1 ZINC000825510564 660431012 /nfs/dbraw/zinc/43/10/12/660431012.db2.gz CKGJNKNTVPFCJC-UHFFFAOYSA-N 1 0 377.286 2.800 20 0 GFADRO C[C@@]([NH3+])(C(=O)NC[C@H]1COc2ccccc2C1)c1ccc(Br)cc1 ZINC000825993633 660447177 /nfs/dbraw/zinc/44/71/77/660447177.db2.gz ARBBLTWABXXFCZ-DJJJIMSYSA-N 1 0 389.293 2.991 20 0 GFADRO Cn1nc(C(=O)NC[C@H](c2ccc(Cl)cc2)[NH+](C)C)cc1Br ZINC000826586427 660458259 /nfs/dbraw/zinc/45/82/59/660458259.db2.gz ZULMCIUPXROWDH-CYBMUJFWSA-N 1 0 385.693 2.869 20 0 GFADRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1cc(Br)n(C)n1 ZINC000826671496 660460703 /nfs/dbraw/zinc/46/07/03/660460703.db2.gz LXVDWASAAHNEAI-HIFRSBDPSA-N 1 0 391.313 2.823 20 0 GFADRO C[C@H]1C[C@H](NC(=O)c2cc(Br)n(C)n2)C[N@@H+]1Cc1ccccc1 ZINC000826869834 660469234 /nfs/dbraw/zinc/46/92/34/660469234.db2.gz AHYNYZRLISEOLQ-JSGCOSHPSA-N 1 0 377.286 2.575 20 0 GFADRO O=C(c1cc(Br)c2nccnc2c1)N1CCC([NH+]2CCC2)CC1 ZINC000826936501 660472282 /nfs/dbraw/zinc/47/22/82/660472282.db2.gz PUDIGKOPVAAHSE-UHFFFAOYSA-N 1 0 375.270 2.703 20 0 GFADRO O=C1OCCN1[C@@H]1CC[N@@H+](CC2=Cc3cc(Br)ccc3OC2)C1 ZINC000826994738 660475193 /nfs/dbraw/zinc/47/51/93/660475193.db2.gz MNDPKROTOVAIJP-OAHLLOKOSA-N 1 0 379.254 2.751 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)c1cc(Br)n[nH]1 ZINC000827094397 660478935 /nfs/dbraw/zinc/47/89/35/660478935.db2.gz OIISCHRYICSNCR-AWEZNQCLSA-N 1 0 392.301 2.694 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCOc4ccc(Br)cc43)CC[C@H]21 ZINC000827231896 660485393 /nfs/dbraw/zinc/48/53/93/660485393.db2.gz JHZWCJPFAIVQAQ-XNRPHZJLSA-N 1 0 379.298 2.868 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(F)c(I)c3)CC[C@H]21 ZINC000827302670 660488441 /nfs/dbraw/zinc/48/84/41/660488441.db2.gz WVKWZQITIAORAH-BXUZGUMPSA-N 1 0 388.224 2.597 20 0 GFADRO C[C@@H]1[C@H](C(=O)N2CC[C@@]3(C)[C@@H](C2)C3(Br)Br)CC[N@@H+]1C ZINC000855324547 661985162 /nfs/dbraw/zinc/98/51/62/661985162.db2.gz YFHBWYWUZHFSJE-UZWSLXQKSA-N 1 0 394.151 2.681 20 0 GFADRO Cc1cc(I)cc(C(=O)N2CC[C@H]3[C@@H](CC[N@H+]3C)C2)c1 ZINC000828508967 660552049 /nfs/dbraw/zinc/55/20/49/660552049.db2.gz AQGAXMJDNWVFKU-WFASDCNBSA-N 1 0 384.261 2.766 20 0 GFADRO C[C@H](NC(=O)c1cccc(S(=O)(=O)C(F)(F)F)c1)C(C)(C)C[NH+](C)C ZINC000828620808 660560027 /nfs/dbraw/zinc/56/00/27/660560027.db2.gz FTIGKNDAXCARKF-NSHDSACASA-N 1 0 380.432 2.686 20 0 GFADRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)c1csc(I)n1 ZINC000828829021 660572099 /nfs/dbraw/zinc/57/20/99/660572099.db2.gz HCZQZSGKUIBOHZ-SNVBAGLBSA-N 1 0 393.294 2.694 20 0 GFADRO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)C[C@@H]1C(=O)Nc2c1cccc2Br ZINC000828958468 660576492 /nfs/dbraw/zinc/57/64/92/660576492.db2.gz FOICMCAVJZNOPV-AEGPPILISA-N 1 0 392.297 2.570 20 0 GFADRO COC(=O)/C=C1\SCC(=O)N1CCC[NH2+]C1(c2ccccc2Cl)CC1 ZINC000829479346 660594383 /nfs/dbraw/zinc/59/43/83/660594383.db2.gz WUXWHTIPGHVJDD-WJDWOHSUSA-N 1 0 380.897 2.899 20 0 GFADRO CC(C)[N@@H+]1CCC[C@@H]1C(=O)Nc1cc(Br)cc2c1NC(=O)CO2 ZINC000829552665 660600618 /nfs/dbraw/zinc/60/06/18/660600618.db2.gz KRZILCRMNKSVRJ-GFCCVEGCSA-N 1 0 382.258 2.591 20 0 GFADRO O=C(c1cc(Cl)nc(C(F)(F)F)c1)N1CC[NH+](C2CCOCC2)CC1 ZINC000829565804 660601207 /nfs/dbraw/zinc/60/12/07/660601207.db2.gz OLFVDYVQRCELPZ-UHFFFAOYSA-N 1 0 377.794 2.691 20 0 GFADRO C[NH+](C)[C@@]1(CNC(=O)c2ccc(C(F)(F)Br)nc2)CCSC1 ZINC000829627235 660603906 /nfs/dbraw/zinc/60/39/06/660603906.db2.gz UPGSZKDPTHPYIX-CYBMUJFWSA-N 1 0 394.285 2.693 20 0 GFADRO Cc1cc(NC(=O)N(C)CCOCC[NH3+])nn1-c1ccc(Cl)cc1Cl ZINC000625875726 652374000 /nfs/dbraw/zinc/37/40/00/652374000.db2.gz HVUMFVJZOVJVOQ-UHFFFAOYSA-N 1 0 386.283 2.927 20 0 GFADRO C[C@@](CO)([NH2+]C[C@@H](O)c1ccc(F)c(Br)c1)c1cccc(O)c1 ZINC000829921143 660622302 /nfs/dbraw/zinc/62/23/02/660622302.db2.gz GZTUXDKIDMDULX-SJORKVTESA-N 1 0 384.245 2.825 20 0 GFADRO CC(C)[NH+]1CCC(O)(CNC(=O)c2cc(Cl)nc(C(F)(F)F)c2)CC1 ZINC000830168640 660639803 /nfs/dbraw/zinc/63/98/03/660639803.db2.gz PRASZAWXFZVFSD-UHFFFAOYSA-N 1 0 379.810 2.719 20 0 GFADRO O=C(CC[C@@H]1CC1(Cl)Cl)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000830550513 660663261 /nfs/dbraw/zinc/66/32/61/660663261.db2.gz XAMDYIFFMCHCPA-BRWVUGGUSA-N 1 0 385.335 2.960 20 0 GFADRO C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)C[C@H]([NH3+])C2CC2)CC1 ZINC000830580203 660665477 /nfs/dbraw/zinc/66/54/77/660665477.db2.gz PZYGDSMMXIFHQK-GUYCJALGSA-N 1 0 380.330 2.782 20 0 GFADRO CCOC(=O)c1nc(N[C@@H]2CCC[N@H+](CCOC)C2)ccc1Br ZINC000603293299 652691836 /nfs/dbraw/zinc/69/18/36/652691836.db2.gz VLWRGQORKZNCQA-GFCCVEGCSA-N 1 0 386.290 2.544 20 0 GFADRO C[C@H]1C[C@@H](N(C)S(=O)(=O)c2cnc(Cl)c(Br)c2)CC[N@@H+]1C ZINC000830668389 660670961 /nfs/dbraw/zinc/67/09/61/660670961.db2.gz QNWXBOXENUCKFE-UWVGGRQHSA-N 1 0 396.738 2.601 20 0 GFADRO CC[N@H+](CCNS(=O)(=O)c1cnc(Cl)c(Br)c1)C(C)C ZINC000831190562 660702628 /nfs/dbraw/zinc/70/26/28/660702628.db2.gz ANMGHMBXQIKLAO-UHFFFAOYSA-N 1 0 384.727 2.506 20 0 GFADRO O=C(c1cccnc1I)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000831720692 660722482 /nfs/dbraw/zinc/72/24/82/660722482.db2.gz BAQINYIWBHTMDW-STQMWFEESA-N 1 0 399.276 2.538 20 0 GFADRO CC[NH+](CC)CCOCCNC(=O)c1ccc(C(F)(F)Br)nc1 ZINC000832137592 660757301 /nfs/dbraw/zinc/75/73/01/660757301.db2.gz RGYPONWBBIXPSE-UHFFFAOYSA-N 1 0 394.260 2.614 20 0 GFADRO C[NH+](C)Cc1cccc(C(=O)NCC2(n3cc(Br)cn3)CC2)c1 ZINC000832240501 660767024 /nfs/dbraw/zinc/76/70/24/660767024.db2.gz KQPKTDYUEQQYJV-UHFFFAOYSA-N 1 0 377.286 2.626 20 0 GFADRO COc1cc(/C=C\C(=O)N[C@@H]2CCC[C@H]2[NH+](C)C)cc(Br)c1O ZINC000832490667 660782752 /nfs/dbraw/zinc/78/27/52/660782752.db2.gz PPBPXLNSOUWEPZ-JUBSNLHESA-N 1 0 383.286 2.775 20 0 GFADRO C[N@H+](C[C@H](O)COc1ccccc1)C[C@@H](O)c1ccccc1Br ZINC000832673148 660793856 /nfs/dbraw/zinc/79/38/56/660793856.db2.gz PAARRGJTXJCEIL-KBXCAEBGSA-N 1 0 380.282 2.854 20 0 GFADRO O=C(C[NH2+][C@@H](c1cccs1)C1(CO)CCC1)NCC(=O)c1cccs1 ZINC000832698126 660795911 /nfs/dbraw/zinc/79/59/11/660795911.db2.gz OLCXBJUICKTXMG-KRWDZBQOSA-N 1 0 378.519 2.602 20 0 GFADRO CC(C)[N@@H+]1CC[C@@H](C(=O)NCc2ncc(Cl)s2)[C@H](c2cnn(C)c2)C1 ZINC000834542186 660824067 /nfs/dbraw/zinc/82/40/67/660824067.db2.gz FKQCUNRUCPYBRJ-KGLIPLIRSA-N 1 0 381.933 2.660 20 0 GFADRO O=C(NC[C@H](O)Cc1cccc(Cl)c1)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000834807064 660833453 /nfs/dbraw/zinc/83/34/53/660833453.db2.gz UJOOCDSNMFGQAZ-QZTJIDSGSA-N 1 0 382.957 2.577 20 0 GFADRO O=C(NC[C@@H](O)Cc1cccc(Cl)c1)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000834807065 660833500 /nfs/dbraw/zinc/83/35/00/660833500.db2.gz UJOOCDSNMFGQAZ-ROUUACIJSA-N 1 0 382.957 2.577 20 0 GFADRO C[C@H](CC[S@@](C)=O)[NH2+]Cc1nc2c(s1)CN(C(=O)OC(C)(C)C)CC2 ZINC000835043140 660839236 /nfs/dbraw/zinc/83/92/36/660839236.db2.gz NHGPXGHNLZGAFV-XELLLNAOSA-N 1 0 387.571 2.683 20 0 GFADRO C[C@@H](CC[NH2+]Cc1nc2c(s1)CN(C(=O)OC(C)(C)C)CC2)[S@](C)=O ZINC000835045301 660839481 /nfs/dbraw/zinc/83/94/81/660839481.db2.gz UIBHQGYNKZBICS-VDBVYFBLSA-N 1 0 387.571 2.683 20 0 GFADRO Cn1nc(C(=O)OCC2CC[NH+](Cc3ccco3)CC2)cc1Br ZINC000835246207 660846768 /nfs/dbraw/zinc/84/67/68/660846768.db2.gz ACUOGOBJOVQTIJ-UHFFFAOYSA-N 1 0 382.258 2.845 20 0 GFADRO Cn1ncc(Br)c1C(=O)OCC1CC[NH+](Cc2ccco2)CC1 ZINC000835249023 660846952 /nfs/dbraw/zinc/84/69/52/660846952.db2.gz PMRABTRUEXCKOJ-UHFFFAOYSA-N 1 0 382.258 2.845 20 0 GFADRO Nc1nc(N2CCC[C@H](OC(=O)c3ccsc3Br)C2)cc[nH+]1 ZINC000835371980 660853794 /nfs/dbraw/zinc/85/37/94/660853794.db2.gz NWFLKJVHHSRHEI-VIFPVBQESA-N 1 0 383.271 2.709 20 0 GFADRO C[NH+](C)CCCC(C)(C)NC(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000836219886 660895671 /nfs/dbraw/zinc/89/56/71/660895671.db2.gz KXJIKQKHNIUVAW-UHFFFAOYSA-N 1 0 377.457 2.925 20 0 GFADRO C[C@@H](C[NH+]1CCCCC1)NC(=O)NC[C@@H](O)c1ccccc1Br ZINC000836344250 660900505 /nfs/dbraw/zinc/90/05/05/660900505.db2.gz CHNWJXVPPMUVMO-XJKSGUPXSA-N 1 0 384.318 2.656 20 0 GFADRO Cc1c(Br)nccc1NC(=O)NCCCC[N@@H+]1CCC[C@@H]1CO ZINC000836679353 660926853 /nfs/dbraw/zinc/92/68/53/660926853.db2.gz ZOWBDNAAASRMPG-CYBMUJFWSA-N 1 0 385.306 2.511 20 0 GFADRO Cc1c(Br)nccc1NC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000836677654 660925761 /nfs/dbraw/zinc/92/57/61/660925761.db2.gz JUCBLZCMYZMUTH-CYBMUJFWSA-N 1 0 397.317 2.775 20 0 GFADRO Cc1c(Br)nccc1NC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000836685641 660929049 /nfs/dbraw/zinc/92/90/49/660929049.db2.gz NWSWRKYPINXNEY-CYBMUJFWSA-N 1 0 385.306 2.631 20 0 GFADRO CN(C)S(=O)(=O)c1cc(NC(=O)C[NH+]2CCCCCCC2)ccc1Cl ZINC000006906026 654458215 /nfs/dbraw/zinc/45/82/15/654458215.db2.gz OUEXZWLLVLOTKA-UHFFFAOYSA-N 1 0 387.933 2.795 20 0 GFADRO C[NH+]1CCN(c2ccc(NC(=O)c3ccc(Br)cc3F)cn2)CC1 ZINC000014521113 654507120 /nfs/dbraw/zinc/50/71/20/654507120.db2.gz PAGKKNBPRVVUGY-UHFFFAOYSA-N 1 0 393.260 2.987 20 0 GFADRO C[C@@H]1CN(C(=O)c2cc(Br)n(C)n2)CC[N@H+](Cc2ccccc2)C1 ZINC000836918961 660956668 /nfs/dbraw/zinc/95/66/68/660956668.db2.gz CTBLFSUDHWRMOT-AWEZNQCLSA-N 1 0 391.313 2.777 20 0 GFADRO COc1ccc(Br)c(C(=O)N2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000024085953 654541868 /nfs/dbraw/zinc/54/18/68/654541868.db2.gz NCYTXDYWBNENGH-UHFFFAOYSA-N 1 0 376.254 2.815 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)C[C@@H]1Sc2ccccc2NC1=O)c1ccsc1 ZINC000025331507 654548553 /nfs/dbraw/zinc/54/85/53/654548553.db2.gz AYMKQANQJQLCRM-HOCLYGCPSA-N 1 0 375.519 2.970 20 0 GFADRO CCC[N@H+](CCC(=O)Nc1ccc(Cl)cc1F)[C@H]1CCS(=O)(=O)C1 ZINC000026661630 654558538 /nfs/dbraw/zinc/55/85/38/654558538.db2.gz KFVRIROMBYVFMT-ZDUSSCGKSA-N 1 0 376.881 2.707 20 0 GFADRO CN(Cc1ccc(Br)cc1)C(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000031151989 654592512 /nfs/dbraw/zinc/59/25/12/654592512.db2.gz YGMFLJQFOVSORK-UHFFFAOYSA-N 1 0 397.361 2.618 20 0 GFADRO [NH3+]C1(CNS(=O)(=O)c2ccc(F)cc2Br)CCCCCC1 ZINC000037574226 654615609 /nfs/dbraw/zinc/61/56/09/654615609.db2.gz UVGKGSWYLQKNJX-UHFFFAOYSA-N 1 0 379.295 2.918 20 0 GFADRO Cc1ccc(S(=O)(=O)NC[C@H](C)[NH+]2CCCCC2)c(Br)c1 ZINC000040446493 654621173 /nfs/dbraw/zinc/62/11/73/654621173.db2.gz WOCNZDDLXOFFBO-ZDUSSCGKSA-N 1 0 375.332 2.910 20 0 GFADRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)/C=C/c2ccc(I)o2)C1 ZINC000837184306 660975880 /nfs/dbraw/zinc/97/58/80/660975880.db2.gz GDQSCHRKTQELPS-HOSRBBHYSA-N 1 0 388.249 2.839 20 0 GFADRO Cc1cc(NC(=O)C(=O)NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)ccc1Br ZINC000041651892 654629057 /nfs/dbraw/zinc/62/90/57/654629057.db2.gz GEZGJVBFXOXKSN-JSGCOSHPSA-N 1 0 396.329 2.933 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)NC[C@H](O)c2ccccc2Br)C1 ZINC000837197143 660977049 /nfs/dbraw/zinc/97/70/49/660977049.db2.gz NOLMMQCNXVAOQO-WMLDXEAASA-N 1 0 387.293 2.811 20 0 GFADRO COc1cccc([C@@H](CNC(=O)c2nc(SC)ncc2Cl)[NH+](C)C)c1 ZINC000042023208 654634626 /nfs/dbraw/zinc/63/46/26/654634626.db2.gz HWLLCTYOBOJMJM-CQSZACIVSA-N 1 0 380.901 2.893 20 0 GFADRO CC(C)[N@H+](C)CCCNC(=O)CSc1nncn1-c1cccc(Cl)c1 ZINC000042481992 654640287 /nfs/dbraw/zinc/64/02/87/654640287.db2.gz ICSKDDONGJSIMR-UHFFFAOYSA-N 1 0 381.933 2.859 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)NNC(=O)Cc1ccc(Cl)cc1)c1cccs1 ZINC000043145656 654647885 /nfs/dbraw/zinc/64/78/85/654647885.db2.gz LORWUPRNWBPAJA-AWEZNQCLSA-N 1 0 380.901 2.577 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CNC(=S)NNC(=O)c1cc2c(s1)CCCCC2 ZINC000043571431 654649966 /nfs/dbraw/zinc/64/99/66/654649966.db2.gz OKHGCRFBBASGAV-AWEZNQCLSA-N 1 0 380.583 2.610 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CNC(=S)NNC(=O)c1cc2c(s1)CCCCC2 ZINC000043571429 654650023 /nfs/dbraw/zinc/65/00/23/654650023.db2.gz OKHGCRFBBASGAV-CQSZACIVSA-N 1 0 380.583 2.610 20 0 GFADRO NC(=O)C1CC[NH+](CCCNC(=S)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000044158995 654654619 /nfs/dbraw/zinc/65/46/19/654654619.db2.gz DDBFEYIADODIDB-UHFFFAOYSA-N 1 0 389.352 2.867 20 0 GFADRO C[NH+](C)Cc1cccc(CNC(=O)c2c(Br)nc3n2CCCC3)c1 ZINC000837327275 660986693 /nfs/dbraw/zinc/98/66/93/660986693.db2.gz PHPOPFLOPCUAML-UHFFFAOYSA-N 1 0 391.313 2.974 20 0 GFADRO O=C(c1cc(F)cc(Br)c1)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000046744968 654684427 /nfs/dbraw/zinc/68/44/27/654684427.db2.gz SLGRXDSXZTYAPQ-MRXNPFEDSA-N 1 0 385.277 2.915 20 0 GFADRO CC[NH+]1CCN([C@H](C)CNC(=O)c2sc(-c3cccs3)nc2C)CC1 ZINC000046947661 654688231 /nfs/dbraw/zinc/68/82/31/654688231.db2.gz BIYVKTRMGNCMCM-CYBMUJFWSA-N 1 0 378.567 2.936 20 0 GFADRO CCOC(=O)N[C@@H]1CCC[N@H+](C[C@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000047796581 654700817 /nfs/dbraw/zinc/70/08/17/654700817.db2.gz WMTJZHGPBWYIHD-KGLIPLIRSA-N 1 0 391.295 2.944 20 0 GFADRO C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)NCC[NH+]1CCC(C)CC1 ZINC000048230774 654703979 /nfs/dbraw/zinc/70/39/79/654703979.db2.gz QUXIYQPAHZGQAL-ZDUSSCGKSA-N 1 0 386.323 2.960 20 0 GFADRO CC(C)[N@@H+]1CCCC[C@@H]1COC(=O)CNC(=O)c1ccc(Br)o1 ZINC000837380253 660991129 /nfs/dbraw/zinc/99/11/29/660991129.db2.gz OWGVMQSSLKRHJY-GFCCVEGCSA-N 1 0 387.274 2.578 20 0 GFADRO C#CC[NH+]1CCC(C(=O)N(C)CC(=O)Nc2c(Cl)cccc2Cl)CC1 ZINC000050028485 654717531 /nfs/dbraw/zinc/71/75/31/654717531.db2.gz HONAEFCISIQQRC-UHFFFAOYSA-N 1 0 382.291 2.736 20 0 GFADRO CC(=O)N1CSC[C@H]1C(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000121935401 654725440 /nfs/dbraw/zinc/72/54/40/654725440.db2.gz ZBGBZCZMJGMVQL-SJORKVTESA-N 1 0 381.929 2.515 20 0 GFADRO Cc1sc(Br)cc1S(=O)(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000122296835 654732865 /nfs/dbraw/zinc/73/28/65/654732865.db2.gz HFICWJXEPRSHCP-GFCCVEGCSA-N 1 0 393.372 2.972 20 0 GFADRO COc1ccsc1S(=O)(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000122454395 654737981 /nfs/dbraw/zinc/73/79/81/654737981.db2.gz TZSAECACOROQQO-MRXNPFEDSA-N 1 0 380.535 2.899 20 0 GFADRO COc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)NC(=O)NC(C)C)cc1Br ZINC000052686714 654738167 /nfs/dbraw/zinc/73/81/67/654738167.db2.gz XEXDXVRBAXLOHY-MNOVXSKESA-N 1 0 386.290 2.731 20 0 GFADRO CC[C@H]1CN(S(=O)(=O)c2ccc(Br)cc2Cl)CC[C@@H]1[NH3+] ZINC000122683563 654742233 /nfs/dbraw/zinc/74/22/33/654742233.db2.gz UVGCRBQQMRFTPT-CABZTGNLSA-N 1 0 381.723 2.850 20 0 GFADRO Cc1ccc(NC(=O)C(=O)NC[C@H](C(C)C)[NH+]2CCCC2)cc1Br ZINC000122847603 654744481 /nfs/dbraw/zinc/74/44/81/654744481.db2.gz VVGFBDZCHQGOGW-MRXNPFEDSA-N 1 0 396.329 2.933 20 0 GFADRO C[N@@H+]1CCC[C@H](CNC(=O)c2cc(I)c(F)cc2F)C1 ZINC000122859275 654744925 /nfs/dbraw/zinc/74/49/25/654744925.db2.gz HOJYIBHZFHQWRQ-SECBINFHSA-N 1 0 394.203 2.641 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)C(=O)NC[C@@H](C(C)C)[NH+]1CCCC1 ZINC000122859806 654744984 /nfs/dbraw/zinc/74/49/84/654744984.db2.gz XHANVBIZRUMPGI-INIZCTEOSA-N 1 0 396.329 2.933 20 0 GFADRO CC(C)CC[N@H+](C)[C@H](C)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000053364896 654745293 /nfs/dbraw/zinc/74/52/93/654745293.db2.gz UEPGLLFETRIVBX-CYBMUJFWSA-N 1 0 389.949 2.895 20 0 GFADRO C[C@@H](CS(=O)(=O)c1ccccc1)[NH2+]CCNC(=O)c1ccccc1Cl ZINC000122932620 654747498 /nfs/dbraw/zinc/74/74/98/654747498.db2.gz UVHWQHKZYJQMFP-AWEZNQCLSA-N 1 0 380.897 2.522 20 0 GFADRO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)c1csc(-c2cccs2)n1 ZINC000122942576 654747632 /nfs/dbraw/zinc/74/76/32/654747632.db2.gz HBQMYSNSONLIIF-UHFFFAOYSA-N 1 0 378.567 2.970 20 0 GFADRO C[C@H]1C[NH+](CCCNC(=O)c2cc3sc(N(C)C)nc3s2)C[C@H](C)O1 ZINC000053794147 654750116 /nfs/dbraw/zinc/75/01/16/654750116.db2.gz ZZUQEFHWSZDYHN-RYUDHWBXSA-N 1 0 382.555 2.653 20 0 GFADRO O=C(c1ccsc1)N1CCC[N@@H+](C[C@H](O)COCc2cccs2)CC1 ZINC000054424031 654760488 /nfs/dbraw/zinc/76/04/88/654760488.db2.gz FAWMHRIKOQPHCC-INIZCTEOSA-N 1 0 380.535 2.535 20 0 GFADRO CC[N@@H+]1CC[C@@H](CNC(=O)Nc2cc(OC)c(OC)cc2Br)C1 ZINC000054484231 654760959 /nfs/dbraw/zinc/76/09/59/654760959.db2.gz ZKVORJXZBNYESG-NSHDSACASA-N 1 0 386.290 2.930 20 0 GFADRO CCCN(CC[NH+](C)C)C(=O)C[C@@H](NC(C)=O)c1ccc(Br)cc1 ZINC000123779178 654763234 /nfs/dbraw/zinc/76/32/34/654763234.db2.gz XFSISIYOZXTEDS-QGZVFWFLSA-N 1 0 398.345 2.817 20 0 GFADRO CC[C@@H](CCO)[NH2+]Cc1cc(I)c(OC)c(OC)c1 ZINC000123812086 654764311 /nfs/dbraw/zinc/76/43/11/654764311.db2.gz FCRGACOBQKJXBW-NSHDSACASA-N 1 0 379.238 2.559 20 0 GFADRO O=C([C@H]1CCC[N@@H+](Cc2ccc(F)cc2Br)C1)N1CCOCC1 ZINC000054994422 654767208 /nfs/dbraw/zinc/76/72/08/654767208.db2.gz COLROEHEFSKUGV-AWEZNQCLSA-N 1 0 385.277 2.659 20 0 GFADRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)CNC(=O)c1ccc(Cl)cc1Cl ZINC000055406512 654774345 /nfs/dbraw/zinc/77/43/45/654774345.db2.gz OUNZPSWMSJQJFW-QWHCGFSZSA-N 1 0 386.323 2.960 20 0 GFADRO CN(C[C@H](O)c1ccccc1Br)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000837594911 661006909 /nfs/dbraw/zinc/00/69/09/661006909.db2.gz ASKJYBSHZCZCNQ-KEYYUXOJSA-N 1 0 396.329 2.751 20 0 GFADRO COc1ccc(S(=O)(=O)N2CCC(OCCC[NH3+])CC2)c(Cl)c1Cl ZINC000124978306 654785309 /nfs/dbraw/zinc/78/53/09/654785309.db2.gz DCKIGJHYHBGQEV-UHFFFAOYSA-N 1 0 397.324 2.521 20 0 GFADRO CN(C[C@H](O)c1ccccc1Br)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000837594910 661006992 /nfs/dbraw/zinc/00/69/92/661006992.db2.gz ASKJYBSHZCZCNQ-CPUCHLNUSA-N 1 0 396.329 2.751 20 0 GFADRO C[NH+]1CCC2(CCCN(C(=O)c3c(Br)nc4n3CCCC4)C2)CC1 ZINC000837598586 661007213 /nfs/dbraw/zinc/00/72/13/661007213.db2.gz TZGHOOOQNGATQU-UHFFFAOYSA-N 1 0 395.345 2.930 20 0 GFADRO COc1ccc(Br)c(C(=O)NCCC[NH2+]Cc2ccn(C)c2)c1 ZINC000125308159 654790530 /nfs/dbraw/zinc/79/05/30/654790530.db2.gz SGNFQVGDFHSWAJ-UHFFFAOYSA-N 1 0 380.286 2.706 20 0 GFADRO Cn1cc(/C=C/C(=O)N(CC[NH+](C)C)Cc2ccc(Br)cc2)cn1 ZINC000056996953 654798234 /nfs/dbraw/zinc/79/82/34/654798234.db2.gz NEMSFTGBJYDOJS-RMKNXTFCSA-N 1 0 391.313 2.786 20 0 GFADRO C[C@@H]1CN(C(=O)c2c(Br)nc3n2CCCC3)CC[N@@H+](C2CCC2)C1 ZINC000837665327 661010431 /nfs/dbraw/zinc/01/04/31/661010431.db2.gz GQRMYPUDXPFENZ-ZDUSSCGKSA-N 1 0 395.345 2.928 20 0 GFADRO C[C@H](CNC(=O)[C@@H]1CCN(c2cc(Cl)ccc2Cl)C1=O)[N@H+](C)C1CC1 ZINC000057702186 654808559 /nfs/dbraw/zinc/80/85/59/654808559.db2.gz NFTVASPFTRBDLU-RISCZKNCSA-N 1 0 384.307 2.945 20 0 GFADRO C[C@@H](CNC(=O)CCNC(=O)Nc1ccc(Br)cc1)[N@H+](C)C1CC1 ZINC000057707816 654808775 /nfs/dbraw/zinc/80/87/75/654808775.db2.gz GHYZQRMRVPZRPY-LBPRGKRZSA-N 1 0 397.317 2.560 20 0 GFADRO CC(=O)N[C@H](CC(=O)NC[C@@H](C)[N@H+](C)C1CC1)c1ccc(Br)cc1 ZINC000057716958 654809100 /nfs/dbraw/zinc/80/91/00/654809100.db2.gz RTFHUOROPNGWGL-SJKOYZFVSA-N 1 0 396.329 2.615 20 0 GFADRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=S)NC2CCOCC2)CC1 ZINC000057954012 654813100 /nfs/dbraw/zinc/81/31/00/654813100.db2.gz FMPYUDCKNMIPSX-UHFFFAOYSA-N 1 0 382.961 2.947 20 0 GFADRO Cc1ccc(Cl)c(S(=O)(=O)N2CCC(OCC[NH+]3CCCC3)CC2)c1 ZINC000127971468 654838832 /nfs/dbraw/zinc/83/88/32/654838832.db2.gz LXDBXLRBNVLJPZ-UHFFFAOYSA-N 1 0 386.945 2.914 20 0 GFADRO O=C(Nc1cccc(Cl)c1Cl)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000128459837 654847444 /nfs/dbraw/zinc/84/74/44/654847444.db2.gz DQWOLDMLYTXQNK-UHFFFAOYSA-N 1 0 379.247 2.676 20 0 GFADRO CCOc1cc(C[NH2+]CC2CC2)cc(Br)c1OCC(=O)N(C)C ZINC000128483159 654847879 /nfs/dbraw/zinc/84/78/79/654847879.db2.gz KNCMJTVTALQVTG-UHFFFAOYSA-N 1 0 385.302 2.814 20 0 GFADRO O=S(=O)(c1sccc1Br)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000063199402 654850567 /nfs/dbraw/zinc/85/05/67/654850567.db2.gz GXAHVNHSKUECEV-GFCCVEGCSA-N 1 0 379.345 2.663 20 0 GFADRO C[N@@H+]1CC[C@H]2[C@H](CCCN2Cn2c3ccc(Br)cc3oc2=O)C1 ZINC000129278156 654861694 /nfs/dbraw/zinc/86/16/94/654861694.db2.gz NDGYKAUETNLXIC-OCCSQVGLSA-N 1 0 380.286 2.731 20 0 GFADRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2Cn2c3ccc(Br)cc3oc2=O)C1 ZINC000129277892 654861722 /nfs/dbraw/zinc/86/17/22/654861722.db2.gz NDGYKAUETNLXIC-TZMCWYRMSA-N 1 0 380.286 2.731 20 0 GFADRO C[C@H]1C[C@@H](N(C)S(=O)(=O)c2ccc(Br)c(F)c2)CC[N@@H+]1C ZINC000266218744 654864162 /nfs/dbraw/zinc/86/41/62/654864162.db2.gz RWIAYJQQGULPLV-QWRGUYRKSA-N 1 0 379.295 2.691 20 0 GFADRO Cc1cc(Br)c(S(=O)(=O)N(C)CC2CC[NH+](C)CC2)s1 ZINC000266240796 654865783 /nfs/dbraw/zinc/86/57/83/654865783.db2.gz ZUXVONMCGBPBLJ-UHFFFAOYSA-N 1 0 381.361 2.781 20 0 GFADRO C[C@H]([NH2+][C@@H](C)[C@@H]1CCOC1)C(=O)Nc1ccc(I)cc1 ZINC000266293871 654869583 /nfs/dbraw/zinc/86/95/83/654869583.db2.gz KOVBWPRSTDVVPV-SDDRHHMPSA-N 1 0 388.249 2.633 20 0 GFADRO CC[N@H+](CCC(=O)OC)C[C@H](O)COc1ccc(Cl)cc1Br ZINC000064569588 654871775 /nfs/dbraw/zinc/87/17/75/654871775.db2.gz VIJMQBHTRXGVRB-LBPRGKRZSA-N 1 0 394.693 2.727 20 0 GFADRO NS(=O)(=O)CC1CC[NH+](CC/C=C/c2ccc(Br)cc2)CC1 ZINC000129890363 654876370 /nfs/dbraw/zinc/87/63/70/654876370.db2.gz BHCBTVAYQZFDMR-HNQUOIGGSA-N 1 0 387.343 2.853 20 0 GFADRO Cc1cc(C(=O)N(CC[NH+](C)C)Cc2ccc(Br)cc2)n(C)n1 ZINC000065931824 654890770 /nfs/dbraw/zinc/89/07/70/654890770.db2.gz DLWBMKDFBPOGCV-UHFFFAOYSA-N 1 0 379.302 2.695 20 0 GFADRO COc1c(Cl)cc(NC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1Cl ZINC000266769730 654893010 /nfs/dbraw/zinc/89/30/10/654893010.db2.gz ATNHSDWYGUEQNO-NEPJUHHUSA-N 1 0 386.279 2.636 20 0 GFADRO C[C@@H](CNS(=O)(=O)c1cc(Br)ccc1F)C[NH+]1CCCC1 ZINC000130900709 654893084 /nfs/dbraw/zinc/89/30/84/654893084.db2.gz SAIGSJQMKJKFQB-NSHDSACASA-N 1 0 379.295 2.598 20 0 GFADRO C[NH+](C)CCN1C[C@H](C(=O)Nc2cccc(C3SCCS3)c2)CC1=O ZINC000266780923 654893653 /nfs/dbraw/zinc/89/36/53/654893653.db2.gz CEDOGVXBNRHDEI-CQSZACIVSA-N 1 0 379.551 2.514 20 0 GFADRO CC[C@@H](NC(=O)N[C@@H]1CC[N@H+](CCOC)C1)c1nc(C(F)(F)F)cs1 ZINC000266805173 654894730 /nfs/dbraw/zinc/89/47/30/654894730.db2.gz NRBSCXWNJOJUFL-GHMZBOCLSA-N 1 0 380.436 2.633 20 0 GFADRO CC[NH+]1CCC(NS(=O)(=O)c2cc(Br)c(C)cc2OC)CC1 ZINC000267037939 654906514 /nfs/dbraw/zinc/90/65/14/654906514.db2.gz MFXLXDGVRFWNOZ-UHFFFAOYSA-N 1 0 391.331 2.529 20 0 GFADRO C[C@@H](c1ccc(Br)cc1)N1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000131507485 654908661 /nfs/dbraw/zinc/90/86/61/654908661.db2.gz NBKWCZRYHLSRND-SUMWQHHRSA-N 1 0 380.330 2.924 20 0 GFADRO CCCC(=O)N1CSC[C@H]1C(=O)NC[C@@H](c1ccsc1)[NH+](CC)CC ZINC000066613462 654909377 /nfs/dbraw/zinc/90/93/77/654909377.db2.gz QIJPKYVZARBAAW-HOTGVXAUSA-N 1 0 383.583 2.949 20 0 GFADRO [NH3+]C1CCC(NC(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000131700565 654914385 /nfs/dbraw/zinc/91/43/85/654914385.db2.gz JNWFSYHWFJCFNY-ZUEPYMLJSA-N 1 0 384.307 2.984 20 0 GFADRO C[C@@H](CC(N)=O)[NH2+][C@H](c1ccc(Cl)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000267204443 654917127 /nfs/dbraw/zinc/91/71/27/654917127.db2.gz GFRYMUQEDPTVFJ-KPZWWZAWSA-N 1 0 380.897 2.686 20 0 GFADRO C[N@H+](CCNC(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1)C1CC1 ZINC000066924120 654921784 /nfs/dbraw/zinc/92/17/84/654921784.db2.gz DXORKEKOZCIARH-INIZCTEOSA-N 1 0 384.307 2.808 20 0 GFADRO C[C@H]([NH2+][C@H]1CCCC[C@H]1C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000132197040 654928735 /nfs/dbraw/zinc/92/87/35/654928735.db2.gz SQNNZZACXZCLAI-KEYYUXOJSA-N 1 0 388.555 2.642 20 0 GFADRO C[N@H+](CCCS(N)(=O)=O)[C@@H]1CCSc2ccc(Br)cc21 ZINC000067117334 654929971 /nfs/dbraw/zinc/92/99/71/654929971.db2.gz ZJVXIXAWFQESCL-GFCCVEGCSA-N 1 0 379.345 2.596 20 0 GFADRO CCCC[NH+]1CCC(NS(=O)(=O)c2ccc(C(=O)OC)c(Cl)c2)CC1 ZINC000132418805 654937234 /nfs/dbraw/zinc/93/72/34/654937234.db2.gz QZEVFOCAMGNDNJ-UHFFFAOYSA-N 1 0 388.917 2.669 20 0 GFADRO CC(=O)NC[C@H]1CCC[N@H+](CCC(=O)Nc2ccccc2Br)C1 ZINC000067413308 654938687 /nfs/dbraw/zinc/93/86/87/654938687.db2.gz OKPRGAIYSHVQAX-CQSZACIVSA-N 1 0 382.302 2.626 20 0 GFADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(F)c(F)cc1Br ZINC000132644513 654944509 /nfs/dbraw/zinc/94/45/09/654944509.db2.gz KTPFZRYIJPXPDG-JTQLQIEISA-N 1 0 377.229 2.568 20 0 GFADRO COC(=O)c1cc(C[NH2+]Cc2cc(Br)c3c(c2)OCCO3)c[nH]1 ZINC000267800204 654946882 /nfs/dbraw/zinc/94/68/82/654946882.db2.gz JJJHJEHMDATIGB-UHFFFAOYSA-N 1 0 381.226 2.625 20 0 GFADRO O=C(C[C@@H]1CSCC[NH2+]1)NCCCc1ccc(Br)cc1F ZINC000132975209 654950599 /nfs/dbraw/zinc/95/05/99/654950599.db2.gz FFMDIASEWXOALN-CYBMUJFWSA-N 1 0 375.307 2.732 20 0 GFADRO C[NH+](C)C1(CNC(=O)Cc2cc(Cl)ccc2Br)CCOCC1 ZINC000133187483 654955826 /nfs/dbraw/zinc/95/58/26/654955826.db2.gz PDVPLONKQVUYCP-UHFFFAOYSA-N 1 0 389.721 2.872 20 0 GFADRO CCCN(CC[NH+](CC)CC)C(=O)Nc1cc(Br)cn(C)c1=O ZINC000133255261 654958325 /nfs/dbraw/zinc/95/83/25/654958325.db2.gz CKAQUECAJOGHNZ-UHFFFAOYSA-N 1 0 387.322 2.734 20 0 GFADRO CCNS(=O)(=O)CC[NH2+]Cc1ccc(-c2ccc(C(F)(F)F)cc2)o1 ZINC000068980899 654970726 /nfs/dbraw/zinc/97/07/26/654970726.db2.gz SGZAWJSAHCMMKJ-UHFFFAOYSA-N 1 0 376.400 2.994 20 0 GFADRO CC[NH+](CC)CCN(Cc1cccs1)C(=O)CC1(CS(C)(=O)=O)CC1 ZINC000268464719 654973029 /nfs/dbraw/zinc/97/30/29/654973029.db2.gz BATKIVXDJHZJGG-UHFFFAOYSA-N 1 0 386.583 2.633 20 0 GFADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)/C=C(/c1ccc(Cl)cc1)C(F)(F)F ZINC000268545016 654977461 /nfs/dbraw/zinc/97/74/61/654977461.db2.gz NQZLIUUNOPYSJX-WJQTUHTMSA-N 1 0 375.822 2.648 20 0 GFADRO CN(C(=O)c1cc(I)ccc1F)C1CC[NH+](C)CC1 ZINC000268557292 654977962 /nfs/dbraw/zinc/97/79/62/654977962.db2.gz RDTSVOLLFJVZAQ-UHFFFAOYSA-N 1 0 376.213 2.597 20 0 GFADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)CCc1ccc(OC)c(Br)c1 ZINC000069531871 654983055 /nfs/dbraw/zinc/98/30/55/654983055.db2.gz OIUCWUPFMGPZHN-HNNXBMFYSA-N 1 0 399.329 2.617 20 0 GFADRO CCN(CCC[NH2+][C@@H](C)c1ccc(OC(F)F)c(OC)c1)S(C)(=O)=O ZINC000268798418 654987105 /nfs/dbraw/zinc/98/71/05/654987105.db2.gz PBXLFQSCMPHKFN-LBPRGKRZSA-N 1 0 380.457 2.619 20 0 GFADRO OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1Nc1ncncc1Br ZINC000268807220 654987368 /nfs/dbraw/zinc/98/73/68/654987368.db2.gz KXKCVAVTGNFNNZ-GOEBONIOSA-N 1 0 377.286 2.534 20 0 GFADRO COCCC[C@@H]([NH2+]CCCS(C)(=O)=O)c1ccc(Br)cc1 ZINC000268845476 654988957 /nfs/dbraw/zinc/98/89/57/654988957.db2.gz GDMPJUPWYZNRMB-OAHLLOKOSA-N 1 0 378.332 2.941 20 0 GFADRO NC(=O)[C@H]1CCCN1CCC[NH2+][C@H]1CCSc2ccc(Br)cc21 ZINC000268954053 654992642 /nfs/dbraw/zinc/99/26/42/654992642.db2.gz VTOBGBJHEJHPJA-LSDHHAIUSA-N 1 0 398.370 2.915 20 0 GFADRO O=C(Nc1cnn(C2CC[NH2+]CC2)c1)c1ccc(I)cc1 ZINC000070442984 654992673 /nfs/dbraw/zinc/99/26/73/654992673.db2.gz UJNUHXMKMXZMTB-UHFFFAOYSA-N 1 0 396.232 2.665 20 0 GFADRO COc1cccc2c1CC[C@H]2[NH2+]C1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000269032521 654995743 /nfs/dbraw/zinc/99/57/43/654995743.db2.gz URAMQXOYHPTSRJ-CQSZACIVSA-N 1 0 378.416 2.586 20 0 GFADRO CC(C)[C@@H]([NH3+])C(=O)N1CCC(C(=O)Nc2ccccc2Br)CC1 ZINC000269063375 654996531 /nfs/dbraw/zinc/99/65/31/654996531.db2.gz XQIHVSDAYKBPOO-OAHLLOKOSA-N 1 0 382.302 2.610 20 0 GFADRO CCC[NH+]1CCC(NC(=O)NCCOc2ncc(Cl)cc2Cl)CC1 ZINC000134607971 654997382 /nfs/dbraw/zinc/99/73/82/654997382.db2.gz QHKPMZVGEHZRSG-UHFFFAOYSA-N 1 0 375.300 2.941 20 0 GFADRO O=C(Nc1ccccc1Br)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000269112909 654998176 /nfs/dbraw/zinc/99/81/76/654998176.db2.gz BHYBYEKDNIWSAI-CVEARBPZSA-N 1 0 382.302 2.948 20 0 GFADRO O=C(Nc1ccn(-c2cc[nH+]cc2)n1)c1sccc1S(=O)(=O)C(F)F ZINC000071039155 654998733 /nfs/dbraw/zinc/99/87/33/654998733.db2.gz VMMSKUKXQZEKIR-UHFFFAOYSA-N 1 0 384.389 2.577 20 0 GFADRO O=C(C[C@H]1C[NH2+]CCO1)Nc1ncc(Cc2ccc(Br)cc2)s1 ZINC000269215623 655001927 /nfs/dbraw/zinc/00/19/27/655001927.db2.gz VEHTVMSSUDXGIS-ZDUSSCGKSA-N 1 0 396.310 2.813 20 0 GFADRO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)c1cc(F)ccc1I ZINC000269242587 655002501 /nfs/dbraw/zinc/00/25/01/655002501.db2.gz CXAKIZLNRMKQKM-RNCFNFMXSA-N 1 0 376.213 2.678 20 0 GFADRO C[C@H]1CN(C(=O)c2ccc(Cl)c(I)c2)CC[C@@H]1[NH3+] ZINC000269240952 655002710 /nfs/dbraw/zinc/00/27/10/655002710.db2.gz CMUIMTYITJASQO-UFBFGSQYSA-N 1 0 378.641 2.754 20 0 GFADRO COC(=O)CSCCC(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000072086191 655003487 /nfs/dbraw/zinc/00/34/87/655003487.db2.gz XVGTVXVAYANJSI-MRXNPFEDSA-N 1 0 384.929 2.889 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)c2cc(F)ccc2I)C1 ZINC000269288135 655004400 /nfs/dbraw/zinc/00/44/00/655004400.db2.gz SXPARGAQOUBIQX-VHSXEESVSA-N 1 0 376.213 2.630 20 0 GFADRO CC(C)[NH+]1CCC(N2CCN(C(=O)c3occc3Br)CC2)CC1 ZINC000269351371 655006637 /nfs/dbraw/zinc/00/66/37/655006637.db2.gz GOTMBLCHDGBETP-UHFFFAOYSA-N 1 0 384.318 2.673 20 0 GFADRO CC[NH+](CC)C[C@H]1CCN(S(=O)(=O)c2ccc3nc(Cl)cnc3c2)C1 ZINC000269504342 655011695 /nfs/dbraw/zinc/01/16/95/655011695.db2.gz MSBWVCUOFUTFCL-CYBMUJFWSA-N 1 0 382.917 2.636 20 0 GFADRO CS(=O)(=O)c1ccsc1NC(=O)c1ccc(C[NH+]2CCSCC2)cc1 ZINC000135517205 655018806 /nfs/dbraw/zinc/01/88/06/655018806.db2.gz UWZNDFUMFWTTDI-UHFFFAOYSA-N 1 0 396.559 2.953 20 0 GFADRO COCC[NH+]1CCC(NC(=O)c2cc(F)c(F)cc2Br)CC1 ZINC000269747227 655019641 /nfs/dbraw/zinc/01/96/41/655019641.db2.gz RGVNSHGVQCKTFA-UHFFFAOYSA-N 1 0 377.229 2.568 20 0 GFADRO OC[C@@H](C[C@H](O)c1ccccc1)[NH2+]Cc1cc2c(c(Br)c1)OCO2 ZINC000269968577 655029492 /nfs/dbraw/zinc/02/94/92/655029492.db2.gz WVLISEMXUQPTHM-ZBFHGGJFSA-N 1 0 394.265 2.752 20 0 GFADRO O=C(NCCCC[N@H+]1CCC[C@H]1CO)Nc1cc(F)ccc1Br ZINC000136403613 655031074 /nfs/dbraw/zinc/03/10/74/655031074.db2.gz WZUGDHKWJSYFTO-ZDUSSCGKSA-N 1 0 388.281 2.947 20 0 GFADRO CC[NH+](CC)CC(=O)NCC1(c2ccc(Br)cc2)CCOCC1 ZINC000101532897 655042841 /nfs/dbraw/zinc/04/28/41/655042841.db2.gz JFHAADQJNWWZTR-UHFFFAOYSA-N 1 0 383.330 2.955 20 0 GFADRO NC(=O)C1(C[NH2+][C@H]2CCc3c2cc(Br)cc3Cl)CCOCC1 ZINC000270510451 655047382 /nfs/dbraw/zinc/04/73/82/655047382.db2.gz WPOKFWZGMUJHGH-AWEZNQCLSA-N 1 0 387.705 2.962 20 0 GFADRO C[N@@H+]1CC[C@H](CNC(=O)CN2CCSC2=O)[C@H]1c1ccc(Cl)c(F)c1 ZINC000270603666 655050353 /nfs/dbraw/zinc/05/03/53/655050353.db2.gz HDSBWYWIIFCHKV-MLGOLLRUSA-N 1 0 385.892 2.757 20 0 GFADRO COC(=O)c1nn(CN2CCC[C@@H]2C[NH+]2CCCCC2)c(C)c1Br ZINC000151950611 655055462 /nfs/dbraw/zinc/05/54/62/655055462.db2.gz JJMYXHYYMBTRBA-CQSZACIVSA-N 1 0 399.333 2.648 20 0 GFADRO C[C@H](CNC(=O)C(C)(C)c1cccc(Br)c1)C[NH+]1CCN(C)CC1 ZINC000102489000 655055641 /nfs/dbraw/zinc/05/56/41/655055641.db2.gz GAQLECLTFWYFQJ-OAHLLOKOSA-N 1 0 396.373 2.726 20 0 GFADRO CC[N@H+](CCNC(=O)NCC(=O)Nc1cc(Br)ccc1C)C(C)C ZINC000102564531 655056076 /nfs/dbraw/zinc/05/60/76/655056076.db2.gz YBDXKQUAFIZHEV-UHFFFAOYSA-N 1 0 399.333 2.726 20 0 GFADRO CC(C)[NH+]1CCC(NC(=O)CSc2nnc(-c3cccs3)n2C)CC1 ZINC000102633920 655056726 /nfs/dbraw/zinc/05/67/26/655056726.db2.gz UWDYPXGGOHJBER-UHFFFAOYSA-N 1 0 379.555 2.625 20 0 GFADRO Cn1nc(Br)c2c1ncnc2N1CCC(CCC[NH+](C)C)CC1 ZINC000270874586 655058671 /nfs/dbraw/zinc/05/86/71/655058671.db2.gz CLFRRJZUWPCVAX-UHFFFAOYSA-N 1 0 381.322 2.684 20 0 GFADRO Cc1ccc(C(=O)NC2CC[NH+](C3CC3)CC2)cc1I ZINC000102750145 655059380 /nfs/dbraw/zinc/05/93/80/655059380.db2.gz JEXHVINYHBCKJC-UHFFFAOYSA-N 1 0 384.261 2.956 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)c1occc1Br ZINC000270942712 655060976 /nfs/dbraw/zinc/06/09/76/655060976.db2.gz WPVLWNUYHKMXMC-GDBMZVCRSA-N 1 0 393.281 2.655 20 0 GFADRO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)CN1CC[N@H+](C)CC1(C)C ZINC000271025459 655064118 /nfs/dbraw/zinc/06/41/18/655064118.db2.gz JZPLTLSEEOEETO-UHFFFAOYSA-N 1 0 388.295 2.745 20 0 GFADRO CC[NH+](CC)CCN(C(=O)c1ccc(Cl)cc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000271068090 655065655 /nfs/dbraw/zinc/06/56/55/655065655.db2.gz MQMVUZYVXKNICA-MRXNPFEDSA-N 1 0 386.945 2.620 20 0 GFADRO O=C(NCC1([NH+]2CCCC2)CCOCC1)[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000271091572 655066347 /nfs/dbraw/zinc/06/63/47/655066347.db2.gz UJUGQUDZPSVVCE-MRXNPFEDSA-N 1 0 387.307 2.788 20 0 GFADRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N[C@H](CO)c2ccc(Br)cc2)C1 ZINC000271143752 655067662 /nfs/dbraw/zinc/06/76/62/655067662.db2.gz OVLSEUPSDNIUNC-WMLDXEAASA-N 1 0 398.345 2.760 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)CCC[N@@H+]1CCCN(C=O)CC1 ZINC000839022239 661068619 /nfs/dbraw/zinc/06/86/19/661068619.db2.gz GFTRYCOREXPAEZ-UHFFFAOYSA-N 1 0 396.329 2.949 20 0 GFADRO C[C@H](CC[S@](C)=O)[NH2+][C@H](C)CC(=O)Nc1cccc(Br)c1 ZINC000271446018 655081532 /nfs/dbraw/zinc/08/15/32/655081532.db2.gz FBRVYZAYEXDKNU-ZSMADZGOSA-N 1 0 375.332 2.913 20 0 GFADRO CC(C)CN(CC[NH+](C)C)C(=O)CCNC(=O)c1ccc(Br)cc1 ZINC000104528644 655081904 /nfs/dbraw/zinc/08/19/04/655081904.db2.gz ZXXSFYAXWDATHJ-UHFFFAOYSA-N 1 0 398.345 2.615 20 0 GFADRO CCCN(CC[NH+](C)C)C(=O)[C@@H]1CCN(c2ccccc2Br)C1=O ZINC000104531156 655082017 /nfs/dbraw/zinc/08/20/17/655082017.db2.gz OASFFBHQXVUQIL-AWEZNQCLSA-N 1 0 396.329 2.602 20 0 GFADRO Cc1ncc([C@@H](C)[NH2+]C[C@@H](O)COc2ccccc2Br)c(C)n1 ZINC000271564326 655085813 /nfs/dbraw/zinc/08/58/13/655085813.db2.gz XMMAYLATEVWTDO-BXUZGUMPSA-N 1 0 380.286 2.946 20 0 GFADRO Cc1nn(C)c(Cl)c1S(=O)(=O)NC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000155669622 655086480 /nfs/dbraw/zinc/08/64/80/655086480.db2.gz BXTJKGPKKMXVLI-UHFFFAOYSA-N 1 0 384.933 2.571 20 0 GFADRO C[C@H]([NH2+]CCc1ccccc1Br)c1ccc(S(N)(=O)=O)cc1 ZINC000271620364 655088544 /nfs/dbraw/zinc/08/85/44/655088544.db2.gz BPQZFWRKXJBXBP-LBPRGKRZSA-N 1 0 383.311 2.990 20 0 GFADRO C[NH+]1CCC(CNC(=O)N[C@H]2CCN(c3ccc(Br)cc3)C2)CC1 ZINC000105243468 655089949 /nfs/dbraw/zinc/08/99/49/655089949.db2.gz GQIUQJZZSLRSEX-INIZCTEOSA-N 1 0 395.345 2.669 20 0 GFADRO CC[NH+]1CCC(N(C)C(=O)[C@H](C)NC(=O)c2ccc(Br)cc2)CC1 ZINC000105599822 655095510 /nfs/dbraw/zinc/09/55/10/655095510.db2.gz UWUHJTVSNROUPR-ZDUSSCGKSA-N 1 0 396.329 2.510 20 0 GFADRO C[N@H+]1CC=C(CNC(=O)[C@@]23CCC(=O)N2c2cc(Cl)ccc2S3)CC1 ZINC000271832058 655096313 /nfs/dbraw/zinc/09/63/13/655096313.db2.gz HHJYBKOORSZQOA-SFHVURJKSA-N 1 0 377.897 2.647 20 0 GFADRO C[C@H]([NH2+]C[C@H](c1ccccc1Cl)N(C)C)c1cccc(S(N)(=O)=O)c1 ZINC000271854624 655096734 /nfs/dbraw/zinc/09/67/34/655096734.db2.gz MULNJVRBVYUZCI-SCLBCKFNSA-N 1 0 381.929 2.941 20 0 GFADRO O=S1(=O)CC[C@]2(C1)C[C@@H]([NH2+]Cc1ccc(CSC(F)F)o1)CCO2 ZINC000271985353 655100185 /nfs/dbraw/zinc/10/01/85/655100185.db2.gz KFDYNBIAGSTTBW-XHDPSFHLSA-N 1 0 381.466 2.561 20 0 GFADRO O=S1(=O)CC[C@]2(C1)C[C@H]([NH2+]Cc1cc(Cl)ccc1OC(F)F)CCO2 ZINC000271993594 655100406 /nfs/dbraw/zinc/10/04/06/655100406.db2.gz LXFXKLDXTPZMLU-CZUORRHYSA-N 1 0 395.855 2.767 20 0 GFADRO Cc1ccc(C[NH2+][C@@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)cc1Br ZINC000272092459 655102506 /nfs/dbraw/zinc/10/25/06/655102506.db2.gz TUOPKPSAANMYNG-ZBFHGGJFSA-N 1 0 388.327 2.583 20 0 GFADRO COCCNc1nn(CN2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c(=S)s1 ZINC000157931344 655103279 /nfs/dbraw/zinc/10/32/79/655103279.db2.gz UIEVYHGOHDMPLM-UKRRQHHQSA-N 1 0 383.587 2.639 20 0 GFADRO Cc1c(C(=O)N2CC[C@@H]([C@H](C)[NH3+])C2)cnn1-c1cccc(Br)c1 ZINC000272221854 655106390 /nfs/dbraw/zinc/10/63/90/655106390.db2.gz ISGQWTGZPHMZLM-WCQYABFASA-N 1 0 377.286 2.753 20 0 GFADRO C[NH+](C)C1CCN(C[C@H](O)COc2ccc(Cl)cc2Br)CC1 ZINC000106382739 655107489 /nfs/dbraw/zinc/10/74/89/655107489.db2.gz LIXHASHDADTPDQ-AWEZNQCLSA-N 1 0 391.737 2.868 20 0 GFADRO CC(C)(O)C[NH+]1CCN(Cn2nc(-c3ccc(Cl)cc3)oc2=S)CC1 ZINC000158587291 655107559 /nfs/dbraw/zinc/10/75/59/655107559.db2.gz PRMNMVQRCJROTM-UHFFFAOYSA-N 1 0 382.917 2.872 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCN(C(=O)CCC[S@@](=O)c2ccc(Br)cc2)C1 ZINC000272315001 655108814 /nfs/dbraw/zinc/10/88/14/655108814.db2.gz SJGIZMACVZSTPH-UTWWPYJBSA-N 1 0 387.343 2.533 20 0 GFADRO Cc1cc(Br)ccc1CC(=O)NCC1(O)CC[NH+](C(C)C)CC1 ZINC000272396473 655111252 /nfs/dbraw/zinc/11/12/52/655111252.db2.gz YJZPPBVLBKFIQS-UHFFFAOYSA-N 1 0 383.330 2.652 20 0 GFADRO CC[NH+]1CCN([C@H]2CCN(C(=O)/C=C/c3ccc(Br)cc3)C2)CC1 ZINC000106805604 655111492 /nfs/dbraw/zinc/11/14/92/655111492.db2.gz MRMUXKJYOIBQIF-MOTZXUDYSA-N 1 0 392.341 2.701 20 0 GFADRO FC(F)(F)COCCC[NH+]1CCN(Cc2cccc(Br)n2)CC1 ZINC000272401406 655111571 /nfs/dbraw/zinc/11/15/71/655111571.db2.gz JDGBBEIHINFBRT-UHFFFAOYSA-N 1 0 396.251 2.931 20 0 GFADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)Cc1csc(-c2ccc(Cl)s2)n1 ZINC000106817293 655111713 /nfs/dbraw/zinc/11/17/13/655111713.db2.gz ZBADYHHOVDRTIY-GFCCVEGCSA-N 1 0 398.985 2.820 20 0 GFADRO Cc1cccc(C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@H]32)c1I ZINC000272500437 655114978 /nfs/dbraw/zinc/11/49/78/655114978.db2.gz NSYMHDGIIMBIAC-TZMCWYRMSA-N 1 0 384.261 2.766 20 0 GFADRO C[C@H](NC(=O)Cn1cc(Br)cn1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272521047 655115564 /nfs/dbraw/zinc/11/55/64/655115564.db2.gz PXGQFKMJIMAWDH-GOEBONIOSA-N 1 0 391.313 2.672 20 0 GFADRO CCC[C@@H]1CN(C(=O)Nc2ccncc2Br)CC[N@@H+]1CCOC ZINC000272690740 655119216 /nfs/dbraw/zinc/11/92/16/655119216.db2.gz QHSKCKOSDQRJGC-CYBMUJFWSA-N 1 0 385.306 2.809 20 0 GFADRO O=C(CNC(=O)c1ccc(Cl)c(Cl)c1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000107601290 655122658 /nfs/dbraw/zinc/12/26/58/655122658.db2.gz VFVBOJMGSGNZDM-AWEZNQCLSA-N 1 0 384.307 2.810 20 0 GFADRO C[C@@H](NC(=O)c1ccc(F)cc1I)C1=CC[N@H+](C)CC1 ZINC000272828217 655122629 /nfs/dbraw/zinc/12/26/29/655122629.db2.gz YAGJXJHTJQHFAB-SNVBAGLBSA-N 1 0 388.224 2.811 20 0 GFADRO OC[C@@H]([NH2+]C[C@H](O)COCc1ccccc1)c1ccc(Br)cc1 ZINC000273092811 655130078 /nfs/dbraw/zinc/13/00/78/655130078.db2.gz JWQXSNBSYUJCSZ-ZWKOTPCHSA-N 1 0 380.282 2.650 20 0 GFADRO CC(C)(C)[NH+]1CCC(NC(=O)c2sccc2S(=O)(=O)C(F)F)CC1 ZINC000108260360 655130147 /nfs/dbraw/zinc/13/01/47/655130147.db2.gz GMBGWISBXWACDZ-UHFFFAOYSA-N 1 0 380.482 2.737 20 0 GFADRO COc1ccc(Br)cc1C(=O)CCC(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000108332832 655131179 /nfs/dbraw/zinc/13/11/79/655131179.db2.gz MQJCFBITKWHJQH-ZDUSSCGKSA-N 1 0 397.313 2.879 20 0 GFADRO Cn1ccnc1Sc1ncc(C(=O)NC[C@H]2CCC[N@H+](C)C2)cc1Cl ZINC000108330911 655131420 /nfs/dbraw/zinc/13/14/20/655131420.db2.gz OWWJNSDLYALTFH-GFCCVEGCSA-N 1 0 379.917 2.691 20 0 GFADRO C[C@H](CNC(=O)C[C@@H]1Sc2ccc(Cl)cc2NC1=O)C[NH+]1CCCC1 ZINC000108453111 655132836 /nfs/dbraw/zinc/13/28/36/655132836.db2.gz DBYGLEKFUSYRMH-WBMJQRKESA-N 1 0 381.929 2.991 20 0 GFADRO Cn1ncc(C(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)c1Br ZINC000273277444 655137780 /nfs/dbraw/zinc/13/77/80/655137780.db2.gz WAHOWIZZXMGOQL-OAHLLOKOSA-N 1 0 377.286 2.750 20 0 GFADRO C[N@@H+]1CCC[C@H]2CN(CN3C(=O)c4cc(Cl)c(Cl)cc4C3=O)CC[C@@H]21 ZINC000164727531 655138385 /nfs/dbraw/zinc/13/83/85/655138385.db2.gz JHROAKDWWFZJLX-ZBEGNZNMSA-N 1 0 382.291 2.963 20 0 GFADRO Cn1ncc(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)c1Br ZINC000273321919 655139144 /nfs/dbraw/zinc/13/91/44/655139144.db2.gz ZNDFXQLXHRTPKI-HNNXBMFYSA-N 1 0 377.286 2.750 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)C(=O)c1ccc(Br)s1)Cc1ccccc1 ZINC000839463358 661085252 /nfs/dbraw/zinc/08/52/52/661085252.db2.gz YFJWCMRWURBIQP-ZDUSSCGKSA-N 1 0 395.322 2.982 20 0 GFADRO Cc1ccc(S(=O)(=O)N2CCC(CC[NH+]3CCOCC3)CC2)cc1Cl ZINC000109546290 655148174 /nfs/dbraw/zinc/14/81/74/655148174.db2.gz SWTWDNLPUFTYSC-UHFFFAOYSA-N 1 0 386.945 2.771 20 0 GFADRO O[C@@H](COc1c(Cl)cccc1Cl)C[NH+]1CCC(C2OCCO2)CC1 ZINC000171239007 655150341 /nfs/dbraw/zinc/15/03/41/655150341.db2.gz YLEIYVUNQZMGCG-CYBMUJFWSA-N 1 0 376.280 2.818 20 0 GFADRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)Nc1cc(Cl)c(N)c(Cl)c1 ZINC000839481857 661086300 /nfs/dbraw/zinc/08/63/00/661086300.db2.gz SWUQXLQQIPSWLF-LBPRGKRZSA-N 1 0 387.311 2.895 20 0 GFADRO C[C@H]1CCC[N@H+](CCNS(=O)(=O)c2cc(Br)ccc2F)C1 ZINC000109817742 655152586 /nfs/dbraw/zinc/15/25/86/655152586.db2.gz XTLUABHPKBVWAW-NSHDSACASA-N 1 0 379.295 2.598 20 0 GFADRO C[C@@H](CNS(=O)(=O)c1cc(Br)ccc1F)[N@@H+]1CCC[C@H](C)C1 ZINC000109817529 655152671 /nfs/dbraw/zinc/15/26/71/655152671.db2.gz UNSORCONDPLJFH-RYUDHWBXSA-N 1 0 393.322 2.987 20 0 GFADRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(OC)c(O)c2Br)[C@]12CCCO2 ZINC000273685776 655154002 /nfs/dbraw/zinc/15/40/02/655154002.db2.gz HBFXBKWLIAEDKO-CKEIUWERSA-N 1 0 386.286 2.980 20 0 GFADRO CCS(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@H](C)C[NH+]2CCCCC2)c1 ZINC000110058993 655155156 /nfs/dbraw/zinc/15/51/56/655155156.db2.gz PLQBSUOLBIGIFY-AWEZNQCLSA-N 1 0 386.945 2.985 20 0 GFADRO COc1ccc(Br)c(NC(=O)N2C[C@@H]([NH+](C)C)[C@@H](SC)C2)c1 ZINC000273734361 655156357 /nfs/dbraw/zinc/15/63/57/655156357.db2.gz RCAPFWGKPBHIKG-KGLIPLIRSA-N 1 0 388.331 2.967 20 0 GFADRO CC(=O)N(c1nn(CN2CCC[C@H]2C[NH+]2CCCC2)c(=S)s1)C1CC1 ZINC000172484101 655158120 /nfs/dbraw/zinc/15/81/20/655158120.db2.gz WTCKGSQZBZKGOB-HNNXBMFYSA-N 1 0 381.571 2.707 20 0 GFADRO C[N@H+]1CC=C(CNC(=O)c2ncc(Br)cc2Br)CC1 ZINC000273829787 655159893 /nfs/dbraw/zinc/15/98/93/655159893.db2.gz LEGVAPWFHSNFRH-UHFFFAOYSA-N 1 0 389.091 2.598 20 0 GFADRO C[C@H]1C[C@@H](N(C)S(=O)(=O)c2ccc(F)cc2Br)CC[N@@H+]1C ZINC000173269254 655165995 /nfs/dbraw/zinc/16/59/95/655165995.db2.gz XKOXQGRIYJQJQD-JQWIXIFHSA-N 1 0 379.295 2.691 20 0 GFADRO C[C@@H](O)C1CC[NH+]([C@@H](C)C(=O)N(C)Cc2ccc(Br)cc2)CC1 ZINC000111286953 655168029 /nfs/dbraw/zinc/16/80/29/655168029.db2.gz LQVKSNJDXSMWFD-UONOGXRCSA-N 1 0 383.330 2.889 20 0 GFADRO C[C@H](C(=O)NC(=O)NCC(F)(F)F)[N@@H+]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000111306228 655168263 /nfs/dbraw/zinc/16/82/63/655168263.db2.gz XZNNRFIXKZADPJ-PWSUYJOCSA-N 1 0 377.794 2.906 20 0 GFADRO CC[N@@H+]1CCCC[C@H]1CNS(=O)(=O)c1ccc(F)cc1Br ZINC000111352754 655170523 /nfs/dbraw/zinc/17/05/23/655170523.db2.gz QJTQJCPUUJRQFO-LBPRGKRZSA-N 1 0 379.295 2.741 20 0 GFADRO CN1CCC(CNC(=O)c2ccc(Br)nc2)([NH+]2CCCCC2)CC1 ZINC000173479673 655173408 /nfs/dbraw/zinc/17/34/08/655173408.db2.gz ZVOQMFNQXNOYHG-UHFFFAOYSA-N 1 0 395.345 2.524 20 0 GFADRO CC(C)[NH2+]C1CCN(C(=O)Nc2cccc(S(=O)(=O)C(F)F)c2)CC1 ZINC000111749627 655176938 /nfs/dbraw/zinc/17/69/38/655176938.db2.gz ZASDXBJWSBCKLI-UHFFFAOYSA-N 1 0 375.441 2.677 20 0 GFADRO COc1c(Br)cc(Cl)cc1S(=O)(=O)N[C@@H](C[NH3+])CC(C)C ZINC000111829773 655177707 /nfs/dbraw/zinc/17/77/07/655177707.db2.gz NNAIAFPQFUTWCR-SNVBAGLBSA-N 1 0 399.738 2.763 20 0 GFADRO C[C@@H](CNC(=O)N[C@H]1CCN(c2ccccc2Br)C1)[N@H+](C)C1CC1 ZINC000111856764 655178297 /nfs/dbraw/zinc/17/82/97/655178297.db2.gz AXHVVOQJIXJLKM-KBPBESRZSA-N 1 0 395.345 2.810 20 0 GFADRO CC[C@@H](CO)[NH+]1CCN(CC(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)CC1 ZINC000173748067 655179443 /nfs/dbraw/zinc/17/94/43/655179443.db2.gz LURPEDMHYGRDPD-ZFWWWQNUSA-N 1 0 388.339 2.559 20 0 GFADRO CC(=O)NC1CCC([NH2+]Cc2cn3cc(Br)cc(C)c3n2)CC1 ZINC000274247777 655181632 /nfs/dbraw/zinc/18/16/32/655181632.db2.gz XWVFQGRXRLDYQN-UHFFFAOYSA-N 1 0 379.302 2.942 20 0 GFADRO CN(C(=O)c1cnn(C)c1Br)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000274268029 655182829 /nfs/dbraw/zinc/18/28/29/655182829.db2.gz WPFFKBPQJSMCON-OAHLLOKOSA-N 1 0 391.313 2.919 20 0 GFADRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)NCc1ccc(Br)s1 ZINC000174001257 655189400 /nfs/dbraw/zinc/18/94/00/655189400.db2.gz YXJZMGGGTKZXSW-GFCCVEGCSA-N 1 0 390.347 2.763 20 0 GFADRO C[NH+]1CCC(C(=O)N2CCN(C(=O)c3cccc(Cl)c3Cl)CC2)CC1 ZINC000174004718 655189785 /nfs/dbraw/zinc/18/97/85/655189785.db2.gz DXDWGAMBPWYBKR-UHFFFAOYSA-N 1 0 384.307 2.620 20 0 GFADRO C[N@H+](C[C@H](O)COc1ccc(F)cc1)C[C@@H](O)c1cccc(Br)c1 ZINC000839637689 661097606 /nfs/dbraw/zinc/09/76/06/661097606.db2.gz XXQISALLQRSZIX-FUHWJXTLSA-N 1 0 398.272 2.993 20 0 GFADRO C[N@H+](CCC(=O)Nc1cccnc1)C[C@H](O)c1cccc(Br)c1 ZINC000839638979 661097683 /nfs/dbraw/zinc/09/76/83/661097683.db2.gz HKNXSJMFFPKXTA-INIZCTEOSA-N 1 0 378.270 2.838 20 0 GFADRO CC[NH+](CC)C[C@H]1CCN(Cc2nnnn2-c2ccccc2Br)C1 ZINC000174224604 655193913 /nfs/dbraw/zinc/19/39/13/655193913.db2.gz QVYSBNYQPYHSLQ-CQSZACIVSA-N 1 0 393.333 2.589 20 0 GFADRO COCCC[N@H+](C)CCNC(=O)c1cc(Br)cc(OC(C)C)c1 ZINC000174286892 655197129 /nfs/dbraw/zinc/19/71/29/655197129.db2.gz USDKTWBGSNDMSK-UHFFFAOYSA-N 1 0 387.318 2.934 20 0 GFADRO CC[NH+]1CCC(NC(=O)C(=O)Nc2cc(Cl)cc(C(F)(F)F)c2)CC1 ZINC000274719085 655198532 /nfs/dbraw/zinc/19/85/32/655198532.db2.gz UISIGEQVALFBIF-UHFFFAOYSA-N 1 0 377.794 2.898 20 0 GFADRO CC[N@H+](CCNC(=O)c1cc(=O)c2cc(Br)ccc2[nH]1)C(C)C ZINC000112928112 655200073 /nfs/dbraw/zinc/20/00/73/655200073.db2.gz XUHOWFPFVIDGNU-UHFFFAOYSA-N 1 0 380.286 2.751 20 0 GFADRO C[C@](O)(CNC(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1)C(F)(F)F ZINC000274926015 655207448 /nfs/dbraw/zinc/20/74/48/655207448.db2.gz KFVUNAMPGLJRML-DOMZBBRYSA-N 1 0 379.448 2.573 20 0 GFADRO C[NH+](C)C[C@@H]1CCN(C(=O)[C@]23CCC(=O)N2c2cc(Cl)ccc2S3)C1 ZINC000113452110 655210710 /nfs/dbraw/zinc/21/07/10/655210710.db2.gz BIYVNODVMXQYDG-KPZWWZAWSA-N 1 0 379.913 2.679 20 0 GFADRO COc1cc(Br)c(OCC[N@H+](C)C[C@@H](C)O)cc1Br ZINC000175264682 655217095 /nfs/dbraw/zinc/21/70/95/655217095.db2.gz OIDNMRGAZLLESI-SECBINFHSA-N 1 0 397.107 2.912 20 0 GFADRO Cc1c(Br)cccc1S(=O)(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000175305112 655219415 /nfs/dbraw/zinc/21/94/15/655219415.db2.gz HWZDNALLIJFEAS-SMDDNHRTSA-N 1 0 375.332 2.718 20 0 GFADRO O=C(NCc1ccccc1C[NH+]1CCC(O)CC1)c1occc1Br ZINC000176195840 655239367 /nfs/dbraw/zinc/23/93/67/655239367.db2.gz HEVRKHZNVUFMIL-UHFFFAOYSA-N 1 0 393.281 2.929 20 0 GFADRO CS[C@H]1CN(S(=O)(=O)c2ccc(Cl)nc2Cl)C[C@@H]1[NH+]1CCCC1 ZINC000275505650 655239387 /nfs/dbraw/zinc/23/93/87/655239387.db2.gz RTGBMIGMRDMMGZ-QWRGUYRKSA-N 1 0 396.365 2.589 20 0 GFADRO Cn1cncc1[C@H]1C[C@@H]([NH2+]Cc2cc3c(c(Br)c2)OCO3)CCO1 ZINC000275525168 655240294 /nfs/dbraw/zinc/24/02/94/655240294.db2.gz LJRSRRQHWJIQNV-SWLSCSKDSA-N 1 0 394.269 2.921 20 0 GFADRO CSc1nnc(CNC(=O)N(CC[NH+](C)C)Cc2cccc(C)c2)s1 ZINC000275696532 655247342 /nfs/dbraw/zinc/24/73/42/655247342.db2.gz LDTASGQAJJZNHQ-UHFFFAOYSA-N 1 0 379.555 2.842 20 0 GFADRO CC1CC[NH+](C[C@@H](O)CNC(=O)CCc2cc(Br)cs2)CC1 ZINC000116450280 655247852 /nfs/dbraw/zinc/24/78/52/655247852.db2.gz INACHDLMGKLLMD-AWEZNQCLSA-N 1 0 389.359 2.652 20 0 GFADRO COc1c(Cl)cc(NC(=O)C(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)cc1Cl ZINC000275753428 655249583 /nfs/dbraw/zinc/24/95/83/655249583.db2.gz YPFRXMOVWZEFPR-LLVKDONJSA-N 1 0 388.295 2.741 20 0 GFADRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)Nc1cccc(Br)c1 ZINC000275749363 655249612 /nfs/dbraw/zinc/24/96/12/655249612.db2.gz AZPWSMMJXHEXKW-LBPRGKRZSA-N 1 0 382.302 2.576 20 0 GFADRO [NH3+][C@@H]1CCC[C@H](NC(=O)[C@H]2CCCN2C(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000275757947 655249732 /nfs/dbraw/zinc/24/97/32/655249732.db2.gz MAUBREHBCXCHNK-DVOMOZLQSA-N 1 0 384.307 2.984 20 0 GFADRO CC(C)OCC[NH+]1CCC(NC(=O)COc2ccc(Br)cc2)CC1 ZINC000176696556 655252385 /nfs/dbraw/zinc/25/23/85/655252385.db2.gz OUZNOPABUVLBCQ-UHFFFAOYSA-N 1 0 399.329 2.834 20 0 GFADRO C[NH+](C)C1(CNC(=O)c2ccnc(Cl)c2I)CCC1 ZINC000275847757 655253361 /nfs/dbraw/zinc/25/33/61/655253361.db2.gz HNZMYEUEHPSMAU-UHFFFAOYSA-N 1 0 393.656 2.554 20 0 GFADRO COc1cc(C[N@H+](CCO)C2CCC2)cc(I)c1OC ZINC000275881308 655254727 /nfs/dbraw/zinc/25/47/27/655254727.db2.gz BAAXQWCENGLECQ-UHFFFAOYSA-N 1 0 391.249 2.655 20 0 GFADRO CC[C@H](Cc1cccc(Br)c1)C(=O)NCCCN1CC[NH+](C)CC1 ZINC000117232867 655261867 /nfs/dbraw/zinc/26/18/67/655261867.db2.gz TZWMMAOYEKEAEK-QGZVFWFLSA-N 1 0 396.373 2.772 20 0 GFADRO Cc1cc(S(=O)(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)sc1Br ZINC000176936312 655262620 /nfs/dbraw/zinc/26/26/20/655262620.db2.gz XRDCRZYKPHCRGW-MNOVXSKESA-N 1 0 381.361 2.922 20 0 GFADRO CC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2cc(C)c(Br)s2)C1 ZINC000176955323 655263842 /nfs/dbraw/zinc/26/38/42/655263842.db2.gz LVSXOYGCBUKPCB-NSHDSACASA-N 1 0 381.361 2.781 20 0 GFADRO C[N@@H+]1CCC[C@@H]1CNC(=O)c1nn(-c2ccc(F)cc2)cc1Br ZINC000117803501 655268109 /nfs/dbraw/zinc/26/81/09/655268109.db2.gz NMBLDXLVTNVLQU-CYBMUJFWSA-N 1 0 381.249 2.598 20 0 GFADRO C[NH+](C)C1CCN(CCNC(=O)/C=C/c2cc(Br)cs2)CC1 ZINC000177130269 655269531 /nfs/dbraw/zinc/26/95/31/655269531.db2.gz RJYRLYCSMFCERX-ONEGZZNKSA-N 1 0 386.359 2.666 20 0 GFADRO CC[C@@H](CO)[NH+]1CCN(C(=O)Nc2c(C)cc(Br)cc2C)CC1 ZINC000177129310 655269584 /nfs/dbraw/zinc/26/95/84/655269584.db2.gz GIIODOCRJILSGB-HNNXBMFYSA-N 1 0 384.318 2.986 20 0 GFADRO C[N@H+](CCCCNC(=O)CCN1C(=S)N=NC1c1cccs1)C1CC1 ZINC000839793588 661107811 /nfs/dbraw/zinc/10/78/11/661107811.db2.gz VBCWFXUYUIGZSA-UHFFFAOYSA-N 1 0 379.555 2.676 20 0 GFADRO CCC(CC)[C@H](CNC(=O)C(=O)Nc1ccc(Br)cc1)[NH+](C)C ZINC000118098576 655271633 /nfs/dbraw/zinc/27/16/33/655271633.db2.gz DZTQNPLTEAAQEY-HNNXBMFYSA-N 1 0 384.318 2.870 20 0 GFADRO Cc1c(Br)cccc1NC(=O)C(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000118112864 655271861 /nfs/dbraw/zinc/27/18/61/655271861.db2.gz HFPDFACAMYAXJR-AWEZNQCLSA-N 1 0 396.329 2.933 20 0 GFADRO Cc1ccc(NC(=O)C(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)c(Br)c1 ZINC000118111320 655271881 /nfs/dbraw/zinc/27/18/81/655271881.db2.gz NKASHIWSQOHOKS-CQSZACIVSA-N 1 0 396.329 2.933 20 0 GFADRO CC[N@H+](CCNC(=O)C(=O)Nc1ccc(Br)cc1Cl)C1CC1 ZINC000118120608 655272128 /nfs/dbraw/zinc/27/21/28/655272128.db2.gz YVMXIKBJQRSRNR-UHFFFAOYSA-N 1 0 388.693 2.642 20 0 GFADRO Cc1cc(F)c(Br)cc1NC(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000276391141 655273781 /nfs/dbraw/zinc/27/37/81/655273781.db2.gz BVPHLLNIWGTRRR-DZGCQCFKSA-N 1 0 398.276 2.578 20 0 GFADRO COC(=O)[C@]1(C)CC[N@H+](CC(=O)N[C@H](C)c2ccc(Br)cc2)C1 ZINC000177433808 655276877 /nfs/dbraw/zinc/27/68/77/655276877.db2.gz XALPWPBKDCCGFT-SJKOYZFVSA-N 1 0 383.286 2.511 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)N1CC[N@@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000177528151 655279765 /nfs/dbraw/zinc/27/97/65/655279765.db2.gz IMJLCFARNCMLCW-UONOGXRCSA-N 1 0 384.318 2.985 20 0 GFADRO OCC[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000276680627 655283199 /nfs/dbraw/zinc/28/31/99/655283199.db2.gz LQOCIFMJBPRYTE-WMLDXEAASA-N 1 0 383.330 2.926 20 0 GFADRO C[C@H](CNC(=O)[C@H]([NH3+])Cc1ccccc1)Oc1ccccc1Br ZINC000118983483 655285897 /nfs/dbraw/zinc/28/58/97/655285897.db2.gz CKQLDWMOZWERMV-CZUORRHYSA-N 1 0 377.282 2.903 20 0 GFADRO CCc1cc(N2CCC[C@H]([NH2+][C@@H](C)Cn3cc(Br)cn3)C2)ncn1 ZINC000119052744 655288018 /nfs/dbraw/zinc/28/80/18/655288018.db2.gz JXUDGPXLLFIZSM-BBRMVZONSA-N 1 0 393.333 2.645 20 0 GFADRO Cc1noc(CCC[NH2+]Cc2ccc(Br)cc2N2CCOCC2)n1 ZINC000276803542 655288202 /nfs/dbraw/zinc/28/82/02/655288202.db2.gz ZGZLCDMBICGCLF-UHFFFAOYSA-N 1 0 395.301 2.700 20 0 GFADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(I)c1 ZINC000177800156 655288616 /nfs/dbraw/zinc/28/86/16/655288616.db2.gz WZAVVPTYTNGJKE-CABCVRRESA-N 1 0 384.261 2.990 20 0 GFADRO CCN(Cc1ccccc1)C(=O)C[NH2+][C@@H](C)Cn1cc(Br)cn1 ZINC000177998458 655294549 /nfs/dbraw/zinc/29/45/49/655294549.db2.gz YPOCVKHMHVXVRN-AWEZNQCLSA-N 1 0 379.302 2.672 20 0 GFADRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(Br)cc2F)C1 ZINC000178002545 655294853 /nfs/dbraw/zinc/29/48/53/655294853.db2.gz WRUZVAFEWJIJGA-NEPJUHHUSA-N 1 0 386.265 2.516 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(=O)Nc2cc(Br)ccc2F)C1 ZINC000178009891 655295256 /nfs/dbraw/zinc/29/52/56/655295256.db2.gz AFRSFFXPCMODFJ-VXGBXAGGSA-N 1 0 386.265 2.516 20 0 GFADRO C[NH+](C)[C@@H]1CCCN(S(=O)(=O)c2cc(F)ccc2Br)CC1 ZINC000276990647 655296978 /nfs/dbraw/zinc/29/69/78/655296978.db2.gz INQFJZICIABHDJ-GFCCVEGCSA-N 1 0 379.295 2.693 20 0 GFADRO C[NH+](C)[C@@H]1CCCN(C(=O)Nc2cccc(S(=O)(=O)C(F)F)c2)CC1 ZINC000277072402 655301870 /nfs/dbraw/zinc/30/18/70/655301870.db2.gz IWWAXUALDSKDDK-CYBMUJFWSA-N 1 0 375.441 2.631 20 0 GFADRO CC(=O)Nc1cc(F)c(S(=O)(=O)N2CCC[C@@H]([NH+](C)C)CC2)cc1Cl ZINC000277123425 655304291 /nfs/dbraw/zinc/30/42/91/655304291.db2.gz YVMDJNYRABHEBO-GFCCVEGCSA-N 1 0 391.896 2.542 20 0 GFADRO NC(=O)c1csc(C[NH2+]C[C@@H](CO)Cc2ccccc2Br)c1 ZINC000277126518 655304552 /nfs/dbraw/zinc/30/45/52/655304552.db2.gz ZJZAUCWSOWMECT-NSHDSACASA-N 1 0 383.311 2.550 20 0 GFADRO CCCN([C@@H]1CC[NH2+]C1)S(=O)(=O)c1cc(C(=O)OC)c(Cl)cc1Cl ZINC000178933422 655310589 /nfs/dbraw/zinc/31/05/89/655310589.db2.gz MPIUOQHZEGMRJA-SNVBAGLBSA-N 1 0 395.308 2.543 20 0 GFADRO C[C@H]([NH2+]CCc1ccc(S(N)(=O)=O)cc1)c1ccccc1Br ZINC000119684954 655311093 /nfs/dbraw/zinc/31/10/93/655311093.db2.gz GMAUHZMWWDEAHO-LBPRGKRZSA-N 1 0 383.311 2.990 20 0 GFADRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)COc2ccc(C=O)cc2Br)C1 ZINC000119719630 655312536 /nfs/dbraw/zinc/31/25/36/655312536.db2.gz JZMMOYZKYBDWMD-HNNXBMFYSA-N 1 0 397.313 2.735 20 0 GFADRO C[C@H]1C[N@H+](CCCNC(=O)NCc2cc(Br)cs2)CCCO1 ZINC000277332568 655313381 /nfs/dbraw/zinc/31/33/81/655313381.db2.gz GMOQXAKCOSOGQQ-LBPRGKRZSA-N 1 0 390.347 2.811 20 0 GFADRO C[C@@H]([NH2+]C1CCN(S(=O)(=O)C(C)(C)C)CC1)c1ccc([S@@](C)=O)cc1 ZINC000277346452 655314015 /nfs/dbraw/zinc/31/40/15/655314015.db2.gz YRIKTHWHKJJFJD-JBEBIEQOSA-N 1 0 386.583 2.667 20 0 GFADRO Cc1cc(Br)cc(CN2CCN(CC[NH+]3CCCC3)CC2)c1O ZINC000179598854 655315066 /nfs/dbraw/zinc/31/50/66/655315066.db2.gz HFBFHSPOSLLQBF-UHFFFAOYSA-N 1 0 382.346 2.677 20 0 GFADRO CC(=O)N(C)C1CC[NH+](C[C@@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000119809202 655316347 /nfs/dbraw/zinc/31/63/47/655316347.db2.gz BLVLHFKULUZANY-OAHLLOKOSA-N 1 0 375.296 2.676 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(Br)cc2)[C@H](C)C1 ZINC000119829102 655317221 /nfs/dbraw/zinc/31/72/21/655317221.db2.gz KATKNQZISYVWOJ-IUODEOHRSA-N 1 0 382.302 2.576 20 0 GFADRO C[C@H]1[NH2+]CCC[C@H]1NC(=O)C1(c2ccc(Br)cc2)CCOCC1 ZINC000277460695 655320585 /nfs/dbraw/zinc/32/05/85/655320585.db2.gz IHWNYTJVDHRJEY-CZUORRHYSA-N 1 0 381.314 2.754 20 0 GFADRO C[NH+](C)CCOc1ccccc1CNS(=O)(=O)c1ccc(Cl)cc1F ZINC000119977262 655323851 /nfs/dbraw/zinc/32/38/51/655323851.db2.gz SBBUFMYNARUTPH-UHFFFAOYSA-N 1 0 386.876 2.898 20 0 GFADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)Cc1csc2ccc(Br)cc12 ZINC000280968832 655331119 /nfs/dbraw/zinc/33/11/19/655331119.db2.gz RMKWUZGDDCYASR-AWEZNQCLSA-N 1 0 396.354 2.568 20 0 GFADRO O=C(N[C@H]1CCC[NH2+]C1)c1cnn(-c2ncccc2Cl)c1C(F)(F)Cl ZINC000120206257 655331284 /nfs/dbraw/zinc/33/12/84/655331284.db2.gz TXRJQZWACSRYPL-VIFPVBQESA-N 1 0 390.221 2.691 20 0 GFADRO Cc1c(Br)cccc1NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000120470305 655336569 /nfs/dbraw/zinc/33/65/69/655336569.db2.gz JRDUKSHMYYUZKM-YPMHNXCESA-N 1 0 382.302 2.637 20 0 GFADRO CCCCO[C@H]1C[C@H]([NH2+]C2CCN(S(=O)(=O)C(F)(F)F)CC2)C1(C)C ZINC000181884710 655340897 /nfs/dbraw/zinc/34/08/97/655340897.db2.gz RPQIHTRUEOSZBV-KBPBESRZSA-N 1 0 386.480 2.874 20 0 GFADRO CN(CN1CC[C@H](c2cccc(Br)c2)C1=O)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000839995854 661122557 /nfs/dbraw/zinc/12/25/57/661122557.db2.gz KLHBMQUMZCMIFQ-ZWKOTPCHSA-N 1 0 392.341 2.891 20 0 GFADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)N[C@@H](C)Cc1c(Cl)cccc1Cl ZINC000120708025 655342830 /nfs/dbraw/zinc/34/28/30/655342830.db2.gz BMRGQHMOYVSLGT-UONOGXRCSA-N 1 0 387.355 2.860 20 0 GFADRO COc1ccc(Br)cc1CC(=O)NCCC[NH2+]Cc1cccnc1 ZINC000120824412 655344716 /nfs/dbraw/zinc/34/47/16/655344716.db2.gz VYVPXNNDKATLAS-UHFFFAOYSA-N 1 0 392.297 2.691 20 0 GFADRO Cc1cccc(C(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)c1I ZINC000289344405 655347228 /nfs/dbraw/zinc/34/72/28/655347228.db2.gz XGXOJFHJNSGKPD-INIZCTEOSA-N 1 0 384.261 2.815 20 0 GFADRO C[C@H]([NH2+]CCS(=O)(=O)C(C)(C)C)[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000183900995 655354254 /nfs/dbraw/zinc/35/42/54/655354254.db2.gz LZJVFIUVHJQVEA-GJZGRUSLSA-N 1 0 376.563 2.967 20 0 GFADRO CC(C)[C@H](CNS(=O)(=O)/C=C/c1cccc(Cl)c1)N1CC[NH+](C)CC1 ZINC000184169649 655355627 /nfs/dbraw/zinc/35/56/27/655355627.db2.gz VREDIUMHIPHCLI-NUCSPZLJSA-N 1 0 385.961 2.502 20 0 GFADRO CC[C@H]1[C@@H](C)CC[N@@H+]1CN1C(=O)C(=O)N(c2ccc(Br)cc2)C1=O ZINC000184977141 655361415 /nfs/dbraw/zinc/36/14/15/655361415.db2.gz RRLRBHNEBIDLQT-FZMZJTMJSA-N 1 0 394.269 2.822 20 0 GFADRO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2ccnc(Br)c2)cc1 ZINC000293910255 655362412 /nfs/dbraw/zinc/36/24/12/655362412.db2.gz WWDWLEFTQWWUOA-LLVKDONJSA-N 1 0 384.299 2.603 20 0 GFADRO CC(C)O[C@H]1C[C@@H]([NH2+]CC2CCN(S(=O)(=O)C(F)(F)F)CC2)C1(C)C ZINC000185224305 655363215 /nfs/dbraw/zinc/36/32/15/655363215.db2.gz JFKAODKPGTVMJT-KGLIPLIRSA-N 1 0 386.480 2.730 20 0 GFADRO C[C@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1cc(Br)cc(F)c1[O-] ZINC000185367098 655363981 /nfs/dbraw/zinc/36/39/81/655363981.db2.gz MACQVEVMSKXXLT-ZDUSSCGKSA-N 1 0 388.325 2.972 20 0 GFADRO COC(=O)N1CCC([C@H](C)[NH2+]C[C@@H](O)c2cccc(Br)c2)CC1 ZINC000186392670 655369191 /nfs/dbraw/zinc/36/91/91/655369191.db2.gz DUBZXUSQJZUPQC-BLLLJJGKSA-N 1 0 385.302 2.939 20 0 GFADRO CC(C)OCCOC[C@@H](O)C[N@H+](C)Cc1cc(Br)ccc1F ZINC000299457592 655376279 /nfs/dbraw/zinc/37/62/79/655376279.db2.gz YDVPAXYNRXTMKJ-HNNXBMFYSA-N 1 0 378.282 2.823 20 0 GFADRO O=C(/C=C/c1ccc(I)o1)NCCC[NH+]1CCCCC1 ZINC000302711144 655377830 /nfs/dbraw/zinc/37/78/30/655377830.db2.gz REXZMSKCTCSLHC-SOFGYWHQSA-N 1 0 388.249 2.890 20 0 GFADRO O=C(NCC1(c2ccc(Br)cc2)CCC1)c1[nH]nc2c1C[NH2+]CC2 ZINC000188420511 655379828 /nfs/dbraw/zinc/37/98/28/655379828.db2.gz YZUIYZFVRCGYSG-UHFFFAOYSA-N 1 0 389.297 2.670 20 0 GFADRO C[C@H](CNC(=O)c1[nH]nc2c1C[NH2+]CC2)Sc1ccc(Br)cc1 ZINC000188545678 655380659 /nfs/dbraw/zinc/38/06/59/655380659.db2.gz BVZZRWSVBWUTSO-SNVBAGLBSA-N 1 0 395.326 2.729 20 0 GFADRO CC[C@H](CNC(=O)c1[nH]nc2c1C[NH2+]CC2)Cc1cccc(Br)c1 ZINC000188600202 655380916 /nfs/dbraw/zinc/38/09/16/655380916.db2.gz ZQFPVJXFRXVCTR-LBPRGKRZSA-N 1 0 391.313 2.817 20 0 GFADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2cc(Br)ncc2Cl)C1 ZINC000188747618 655381725 /nfs/dbraw/zinc/38/17/25/655381725.db2.gz RLONKZGMLKACOQ-NSHDSACASA-N 1 0 390.709 2.584 20 0 GFADRO O=c1c(Br)c(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)cnn1CC(F)(F)F ZINC000322440931 655383162 /nfs/dbraw/zinc/38/31/62/655383162.db2.gz CPPRXVAUACSJAI-UWVGGRQHSA-N 1 0 395.223 2.607 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)c1cc([N+](=O)[O-])ncc1Br)c1cccs1 ZINC000323540692 655383763 /nfs/dbraw/zinc/38/37/63/655383763.db2.gz PROCWUIMBGPWIT-NSHDSACASA-N 1 0 399.270 2.847 20 0 GFADRO CC[C@@H]1C[N@H+](C)CCN1Cn1ncc2c1ccc(Br)c2C(=O)OC ZINC000840091730 661131547 /nfs/dbraw/zinc/13/15/47/661131547.db2.gz NRHPZJBUYUGLKN-GFCCVEGCSA-N 1 0 395.301 2.569 20 0 GFADRO C[NH+](C)C1(CN2C(=O)N[C@H](c3ccc(Br)cc3)C2=O)CCCC1 ZINC000349283956 655388879 /nfs/dbraw/zinc/38/88/79/655388879.db2.gz KRJYRWCOHHQOCV-CQSZACIVSA-N 1 0 380.286 2.916 20 0 GFADRO O=C1CN(Cc2cccc(Br)c2)C(=O)N1[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000349364026 655389500 /nfs/dbraw/zinc/38/95/00/655389500.db2.gz LQVUCBGPVMSKOO-JKSUJKDBSA-N 1 0 392.297 2.840 20 0 GFADRO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(C(=O)c2cc(F)c(Cl)cc2Cl)CC1 ZINC000363200916 655391387 /nfs/dbraw/zinc/39/13/87/655391387.db2.gz RUEYMLNGABKZTK-OAHLLOKOSA-N 1 0 388.270 2.687 20 0 GFADRO O=S1(=O)CC[C@H]([NH2+]C2CCN(Cc3cnc(-c4cccs4)s3)CC2)C1 ZINC000365234686 655392485 /nfs/dbraw/zinc/39/24/85/655392485.db2.gz PHZNRQPXHTZMTF-AWEZNQCLSA-N 1 0 397.591 2.613 20 0 GFADRO Cc1nc(SCC(=O)NC[C@@H]2CC[N@@H+](C)[C@H]2c2cccc(Cl)c2)n[nH]1 ZINC000365697476 655395122 /nfs/dbraw/zinc/39/51/22/655395122.db2.gz YEZZWPWQFQYICJ-BBRMVZONSA-N 1 0 379.917 2.668 20 0 GFADRO Cc1nc(C)c(S(=O)(=O)N2C[C@@H]3C[N@@H+](C)[C@H](c4ccccc4)[C@@H]3C2)s1 ZINC000365898489 655396156 /nfs/dbraw/zinc/39/61/56/655396156.db2.gz ZTCQBRNOXRFQET-GVDBMIGSSA-N 1 0 377.535 2.683 20 0 GFADRO Cc1c([C@@H](C)[NH2+]CC2CCN(S(=O)(=O)C(F)F)CC2)cnn1C(C)C ZINC000191362675 655398026 /nfs/dbraw/zinc/39/80/26/655398026.db2.gz ZMIQNFWZJZYXHS-GFCCVEGCSA-N 1 0 378.489 2.687 20 0 GFADRO CN1CC[C@H]([NH2+]C[C@@H](O)COCC(F)(F)F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000366589540 655400302 /nfs/dbraw/zinc/40/03/02/655400302.db2.gz FPNJRRIOJGGHDB-UGFHNGPFSA-N 1 0 384.801 2.754 20 0 GFADRO O=C1[C@@H]([N@@H+]2CCC[C@H](C3OCCO3)C2)CCN1c1cccc(Br)c1 ZINC000192072667 655402278 /nfs/dbraw/zinc/40/22/78/655402278.db2.gz NMMDZWRSEMUCQT-BBRMVZONSA-N 1 0 395.297 2.639 20 0 GFADRO COCCN(Cc1ccc(Br)s1)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000418327126 655405425 /nfs/dbraw/zinc/40/54/25/655405425.db2.gz YOPGWSHHEROLFW-GFCCVEGCSA-N 1 0 390.347 2.668 20 0 GFADRO C[C@@H](NC(=O)NC(C)(C)COc1ncccc1Br)[C@@H]1CCC[NH2+]C1 ZINC000418338564 655405597 /nfs/dbraw/zinc/40/55/97/655405597.db2.gz JYXKDGOPFDYSMJ-CHWSQXEVSA-N 1 0 399.333 2.689 20 0 GFADRO C[C@@H]([NH2+]C1CCN(CCS(C)(=O)=O)CC1)c1cc(Br)cs1 ZINC000194035383 655413962 /nfs/dbraw/zinc/41/39/62/655413962.db2.gz WPWGKFNRZRFDHL-LLVKDONJSA-N 1 0 395.388 2.670 20 0 GFADRO O=C(NCC[N@H+]1CC=CCC1)N[C@H]1CCN(c2ccccc2Br)C1 ZINC000474382757 655415737 /nfs/dbraw/zinc/41/57/37/655415737.db2.gz WIDMNSJIVFEOME-HNNXBMFYSA-N 1 0 393.329 2.589 20 0 GFADRO Cc1cc(Cl)c(S(=O)(=O)N(CC[NH3+])Cc2ccccc2)cc1[N+](=O)[O-] ZINC000194750151 655417356 /nfs/dbraw/zinc/41/73/56/655417356.db2.gz WYHCKEGRJORWNA-UHFFFAOYSA-N 1 0 383.857 2.706 20 0 GFADRO COc1cc(CNC(=O)[C@](C)([NH3+])c2ccccc2)cc(Br)c1OC ZINC000195267563 655419729 /nfs/dbraw/zinc/41/97/29/655419729.db2.gz VHPOHSCXHBOWBW-GOSISDBHSA-N 1 0 393.281 2.957 20 0 GFADRO COc1ccc(C[NH2+][C@@H]2CCO[C@@H](c3ccnn3C)C2)c(Br)c1O ZINC000562672193 655423883 /nfs/dbraw/zinc/42/38/83/655423883.db2.gz OSLXEQTYDZGFIA-IUODEOHRSA-N 1 0 396.285 2.907 20 0 GFADRO CC(C)N(Cc1ccc(Br)cc1)C(=O)C(=O)N(C)CCC[NH+](C)C ZINC000562689842 655424225 /nfs/dbraw/zinc/42/42/25/655424225.db2.gz DPKBEZAKFZPBHD-UHFFFAOYSA-N 1 0 398.345 2.596 20 0 GFADRO CC(=O)c1cc(S(=O)(=O)N[C@](C)(C[NH3+])CC(C)C)ccc1Br ZINC000236722790 655424980 /nfs/dbraw/zinc/42/49/80/655424980.db2.gz DBJYGRMDDFMPMG-HNNXBMFYSA-N 1 0 391.331 2.694 20 0 GFADRO C[NH2+]CC1CCN(C(=O)c2c(C)c3cc(Br)ccc3oc2=O)CC1 ZINC000237074710 655425527 /nfs/dbraw/zinc/42/55/27/655425527.db2.gz JFGJXVPTGLSEMJ-UHFFFAOYSA-N 1 0 393.281 2.936 20 0 GFADRO Cc1ccc(-n2nc(Br)cc2C(=O)NC[C@@H]2CCCC[NH2+]2)cc1 ZINC000237822121 655426601 /nfs/dbraw/zinc/42/66/01/655426601.db2.gz IJEDEGZBBIZFDP-ZDUSSCGKSA-N 1 0 377.286 2.815 20 0 GFADRO [NH3+]C[C@H](NC(=O)/C=C/c1ccc(I)o1)C1CCCCC1 ZINC000237901128 655426709 /nfs/dbraw/zinc/42/67/09/655426709.db2.gz CDUYDHWITYHCBE-XOVSCCBYSA-N 1 0 388.249 2.921 20 0 GFADRO C[C@H]1[C@@H](NC(=O)c2cc[nH]c(=O)c2Br)CC[N@@H+]1Cc1ccccc1 ZINC000574233580 655426894 /nfs/dbraw/zinc/42/68/94/655426894.db2.gz ZIMFGXLVCQZYRL-WFASDCNBSA-N 1 0 390.281 2.943 20 0 GFADRO O[C@@H]1C[C@H]([C@@H]2CCCOC2)[N@H+](Cc2nc3cc(Br)ccc3o2)C1 ZINC000574269937 655427584 /nfs/dbraw/zinc/42/75/84/655427584.db2.gz UDTMYWGBQWLZLJ-UXIGCNINSA-N 1 0 381.270 2.952 20 0 GFADRO C[C@H]1CCN(c2ncnc3cccc(I)c32)C[C@@H]1C[NH3+] ZINC000574300020 655428510 /nfs/dbraw/zinc/42/85/10/655428510.db2.gz DKXGAFCGDFFAII-QWRGUYRKSA-N 1 0 382.249 2.656 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc(S(=O)(=O)CC)ccc2Cl)[C@@H](C)C1 ZINC000247342728 655431515 /nfs/dbraw/zinc/43/15/15/655431515.db2.gz JGPQDRYLHFWPMJ-GUYCJALGSA-N 1 0 386.945 2.936 20 0 GFADRO CCCNC(=O)[C@@H]1CCC[N@H+](C[C@@H](O)c2ccc(F)c(Br)c2)C1 ZINC000248556658 655432641 /nfs/dbraw/zinc/43/26/41/655432641.db2.gz KZICMWHRKKOEPS-CZUORRHYSA-N 1 0 387.293 2.860 20 0 GFADRO CC(=O)N1CCC[C@@H](C[NH2+]C[C@@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000575117275 655435987 /nfs/dbraw/zinc/43/59/87/655435987.db2.gz DCVQMJAJUUAWEN-DZGCQCFKSA-N 1 0 375.296 2.581 20 0 GFADRO C[NH+]1CCN(c2ccc(CNC(=O)/C=C\c3ccc(Cl)s3)cn2)CC1 ZINC000255118432 655437109 /nfs/dbraw/zinc/43/71/09/655437109.db2.gz XXQGOEOASLRZCD-DAXSKMNVSA-N 1 0 376.913 2.878 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)/C=C\c2ccc(I)o2)C1 ZINC000255367141 655438466 /nfs/dbraw/zinc/43/84/66/655438466.db2.gz QKHIRODIQWNDMT-PGQSYZCXSA-N 1 0 388.249 2.886 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+][C@H](c2ccccc2)[C@@H]2CCOC2)cc1Cl ZINC000575850099 655438467 /nfs/dbraw/zinc/43/84/67/655438467.db2.gz OETVHUSYZWFTBA-CRAIPNDOSA-N 1 0 380.897 2.855 20 0 GFADRO O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1sccc1SC(F)F ZINC000261908072 655442779 /nfs/dbraw/zinc/44/27/79/655442779.db2.gz SMVUDYBHAWEZCY-VIFPVBQESA-N 1 0 389.415 2.629 20 0 GFADRO O=C1[C@@H]([NH2+][C@@H](CO)c2cccc(Br)c2)CCCN1CC(F)(F)F ZINC000576101731 655443300 /nfs/dbraw/zinc/44/33/00/655443300.db2.gz OBZLHEAOPOWBCP-STQMWFEESA-N 1 0 395.219 2.625 20 0 GFADRO [NH3+]CC1(O)CCN(C(=O)C2(c3cccc(Br)c3)CCCCC2)CC1 ZINC000576099830 655443382 /nfs/dbraw/zinc/44/33/82/655443382.db2.gz VZVMEWUJMOUARE-UHFFFAOYSA-N 1 0 395.341 2.963 20 0 GFADRO O=C(NCC1C[NH2+]C1)c1cccc(OCc2ccccc2Br)c1 ZINC000262063675 655443679 /nfs/dbraw/zinc/44/36/79/655443679.db2.gz ZXGWQNIADPVMDV-UHFFFAOYSA-N 1 0 375.266 2.977 20 0 GFADRO COc1ccc(C(=O)NC[C@H]2CCC[C@H]([NH3+])C2)c(I)c1 ZINC000576148092 655444428 /nfs/dbraw/zinc/44/44/28/655444428.db2.gz BEAHRHVBNJLOOR-QWRGUYRKSA-N 1 0 388.249 2.547 20 0 GFADRO O=S(=O)(NC[C@@H]1[NH2+]CCc2ccccc21)c1ccc(Br)cc1 ZINC000262403201 655445554 /nfs/dbraw/zinc/44/55/54/655445554.db2.gz CLZFHEFVURGVSX-INIZCTEOSA-N 1 0 381.295 2.614 20 0 GFADRO COC[C@]1(CNC(=O)[C@@H](Oc2ccccc2Br)C(C)C)CCC[NH2+]1 ZINC000576628082 655449955 /nfs/dbraw/zinc/44/99/55/655449955.db2.gz MQWMDTGYAKMMFY-FUHWJXTLSA-N 1 0 399.329 2.737 20 0 GFADRO COc1cc(C[NH2+]CCC(=O)Nc2cccnc2)cc(Br)c1OC ZINC000576628382 655449984 /nfs/dbraw/zinc/44/99/84/655449984.db2.gz XDGPJOGXIAMAEJ-UHFFFAOYSA-N 1 0 394.269 2.980 20 0 GFADRO COCCN(CC(F)F)C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000264095673 655457193 /nfs/dbraw/zinc/45/71/93/655457193.db2.gz GQASROCZFMTOFR-UHFFFAOYSA-N 1 0 375.485 2.883 20 0 GFADRO [NH3+]CCC1CCN(C(=O)C(=O)Nc2cccc(Cl)c2Br)CC1 ZINC000577380890 655458289 /nfs/dbraw/zinc/45/82/89/655458289.db2.gz MAVXAPFYGHMYJT-UHFFFAOYSA-N 1 0 388.693 2.628 20 0 GFADRO CNC(=O)c1ccc(C[N@H+](C)C[C@@H](O)c2ccc(Br)cc2)cc1 ZINC000264218718 655459110 /nfs/dbraw/zinc/45/91/10/655459110.db2.gz OPFVOUKJNXPFJG-QGZVFWFLSA-N 1 0 377.282 2.974 20 0 GFADRO Cc1c(C(=O)N2CCC[C@H]([NH+](C)C)C2)nnn1-c1cccc(Br)c1 ZINC000264449152 655464006 /nfs/dbraw/zinc/46/40/06/655464006.db2.gz NXAZQKWPPSTQNG-HNNXBMFYSA-N 1 0 392.301 2.504 20 0 GFADRO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)c2ccccc2Br)CC1 ZINC000264554608 655466076 /nfs/dbraw/zinc/46/60/76/655466076.db2.gz SJNCXHVZVXUFBC-OAHLLOKOSA-N 1 0 380.330 2.691 20 0 GFADRO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)c2csc(Br)c2)CC1 ZINC000264580625 655466442 /nfs/dbraw/zinc/46/64/42/655466442.db2.gz ZEAQTTYEDLWBEW-AWEZNQCLSA-N 1 0 386.359 2.753 20 0 GFADRO CN(CCCN1CC[NH+](C)CC1)C(=O)/C=C/c1cc(Br)ccc1F ZINC000264600769 655466877 /nfs/dbraw/zinc/46/68/77/655466877.db2.gz DJYUBUAIOQKDKR-QPJJXVBHSA-N 1 0 398.320 2.697 20 0 GFADRO CC(C)[C@@H]1CN(C(=O)c2cccc(F)c2I)CC[N@@H+]1C ZINC000577807445 655467531 /nfs/dbraw/zinc/46/75/31/655467531.db2.gz FZEDBKHMVSTPRY-ZDUSSCGKSA-N 1 0 390.240 2.843 20 0 GFADRO C[NH2+][C@@H](CC(C)(C)C)C(=O)NCCCNC(=O)c1ccc(Br)cc1 ZINC000578129302 655473074 /nfs/dbraw/zinc/47/30/74/655473074.db2.gz YNRBZZOTKKEJBD-HNNXBMFYSA-N 1 0 398.345 2.709 20 0 GFADRO CNc1cc(I)ccc1C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000578246407 655474942 /nfs/dbraw/zinc/47/49/42/655474942.db2.gz PWSWPCKJZCUEQC-ZFWWWQNUSA-N 1 0 399.276 2.690 20 0 GFADRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)N(C)C[C@H](O)c1cccc(Br)c1 ZINC000840294272 661151997 /nfs/dbraw/zinc/15/19/97/661151997.db2.gz NCOKEOAWRTYHKJ-SJORKVTESA-N 1 0 398.345 2.998 20 0 GFADRO C[N@H+](CCCO)C1CCN(CCC(=O)Nc2ccc(Br)cc2)CC1 ZINC000265203812 655479004 /nfs/dbraw/zinc/47/90/04/655479004.db2.gz KHCVTCSVHUTEAX-UHFFFAOYSA-N 1 0 398.345 2.556 20 0 GFADRO COc1cc(Br)ccc1C[NH2+][C@@H](CCSC)C(=O)N(C)C ZINC000578550305 655481574 /nfs/dbraw/zinc/48/15/74/655481574.db2.gz VGKIAYXBXDPWRZ-ZDUSSCGKSA-N 1 0 375.332 2.757 20 0 GFADRO C[C@@H](CC[NH+](C)C)NC(=O)CCC[S@@](=O)c1ccc(Br)cc1 ZINC000265336205 655481606 /nfs/dbraw/zinc/48/16/06/655481606.db2.gz HECRLUKBBBBNNV-WHEQGISXSA-N 1 0 389.359 2.793 20 0 GFADRO Cc1ncc2c(n1)CC[C@@H]([NH2+]C[C@H](O)COc1cc(Cl)ccc1Cl)C2 ZINC000578759095 655486426 /nfs/dbraw/zinc/48/64/26/655486426.db2.gz PDNNDBYDGVLHPT-CABCVRRESA-N 1 0 382.291 2.979 20 0 GFADRO COC(=O)c1sc2ccccc2c1S(=O)(=O)N1CCCC[C@@H]1CC[NH3+] ZINC000578769034 655486542 /nfs/dbraw/zinc/48/65/42/655486542.db2.gz IFGIZFVAHWGCII-GFCCVEGCSA-N 1 0 382.507 2.580 20 0 GFADRO Cc1cccc(S(=O)(=O)N2CCC3(CC[NH2+]CC3)CC2)c1Br ZINC000578892098 655488678 /nfs/dbraw/zinc/48/86/78/655488678.db2.gz WTEKTAHKFJXAOA-UHFFFAOYSA-N 1 0 387.343 2.912 20 0 GFADRO CC[NH+]1CCC(CNC(=O)C(=O)Nc2cc(Cl)c(F)c(Cl)c2)CC1 ZINC000578951378 655489750 /nfs/dbraw/zinc/48/97/50/655489750.db2.gz DJQMFPYZXBPOLL-UHFFFAOYSA-N 1 0 376.259 2.919 20 0 GFADRO O=C(NCc1ccc(O)c(Br)c1)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000578954931 655489950 /nfs/dbraw/zinc/48/99/50/655489950.db2.gz MUPQDQUXEHGVPI-AWEZNQCLSA-N 1 0 382.302 2.971 20 0 GFADRO C[C@@H](CCC[NH3+])NC(=O)C(=O)Nc1ccc(C(F)(F)F)c(Br)c1 ZINC000578968138 655490380 /nfs/dbraw/zinc/49/03/80/655490380.db2.gz JPHOVLCOZUUXFH-QMMMGPOBSA-N 1 0 396.207 2.650 20 0 GFADRO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)Nc1cc(F)ccc1SCC(F)F ZINC000265816653 655491196 /nfs/dbraw/zinc/49/11/96/655491196.db2.gz PWJVDSHVLHHNQS-JTQLQIEISA-N 1 0 377.432 2.578 20 0 GFADRO C[C@@H]1CCC[C@@](CNC(=O)c2cc(S(C)(=O)=O)ccc2Cl)([NH+](C)C)C1 ZINC000265957558 655494026 /nfs/dbraw/zinc/49/40/26/655494026.db2.gz XKCOAXHRVJTYKB-FZKQIMNGSA-N 1 0 386.945 2.984 20 0 GFADRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1cc(F)ccc1I ZINC000266017826 655495243 /nfs/dbraw/zinc/49/52/43/655495243.db2.gz VMUKNSLNMVUQGT-IINYFYTJSA-N 1 0 390.240 2.843 20 0 GFADRO Cc1nc(S(=O)(=O)NC[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)sc1C ZINC000579238488 655496402 /nfs/dbraw/zinc/49/64/02/655496402.db2.gz HYFKGZOQVVPCGT-GOEBONIOSA-N 1 0 383.514 2.571 20 0 GFADRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1S(=O)(=O)c1ccc(Br)c(F)c1 ZINC000579389066 655498678 /nfs/dbraw/zinc/49/86/78/655498678.db2.gz XNMDBKRTSGHMCL-XHDPSFHLSA-N 1 0 391.306 2.836 20 0 GFADRO CCCN(CCC[NH+](C)C)C(=O)C(=O)Nc1nc(C)c(C(F)(F)F)s1 ZINC000579459200 655500038 /nfs/dbraw/zinc/50/00/38/655500038.db2.gz FXLNTDAAWMOVLT-UHFFFAOYSA-N 1 0 380.436 2.599 20 0 GFADRO OC[C@@H]([NH2+]Cc1ncc(-c2ccccc2Br)o1)C1CCOCC1 ZINC000579513088 655500805 /nfs/dbraw/zinc/50/08/05/655500805.db2.gz HGIQXSLSEKXBJI-OAHLLOKOSA-N 1 0 381.270 2.981 20 0 GFADRO O=C(N[C@@H]1CCOc2c(Br)cccc21)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000579572253 655501661 /nfs/dbraw/zinc/50/16/61/655501661.db2.gz QOZYYPOVQJIOGT-RHSMWYFYSA-N 1 0 380.286 2.668 20 0 GFADRO CC(C)(C)C[C@@H](O)C[NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000579833477 655504568 /nfs/dbraw/zinc/50/45/68/655504568.db2.gz CKSVTELWBPHZFK-ZIAGYGMSSA-N 1 0 378.282 2.715 20 0 GFADRO CN(Cc1ccc(Cl)s1)C(=O)C(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000579865443 655505220 /nfs/dbraw/zinc/50/52/20/655505220.db2.gz ZCSTZXUZTJRYIT-HNNXBMFYSA-N 1 0 379.913 2.779 20 0 GFADRO C[C@H](NC(=O)N[C@@H]1CCOc2c(Br)cccc21)[C@H]1CCC[NH2+]C1 ZINC000580053105 655507426 /nfs/dbraw/zinc/50/74/26/655507426.db2.gz XFAPHLZJCMNFJY-SLEUVZQESA-N 1 0 382.302 2.960 20 0 GFADRO CC[NH+]1CCC(CCNC(=O)N[C@@H](C)c2ncc(Br)cn2)CC1 ZINC000580147762 655508934 /nfs/dbraw/zinc/50/89/34/655508934.db2.gz SZLXMUCTJBFBPD-LBPRGKRZSA-N 1 0 384.322 2.721 20 0 GFADRO CC[NH+](CC)CCN(C(=O)c1nccc(C)n1)c1ccc(Br)cn1 ZINC000580196728 655509977 /nfs/dbraw/zinc/50/99/77/655509977.db2.gz AIKYPHBSDYUAEC-UHFFFAOYSA-N 1 0 392.301 2.931 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)c2ccccc2I)C[C@@H]1C(F)(F)F ZINC000720818561 655524764 /nfs/dbraw/zinc/52/47/64/655524764.db2.gz VZZACZGBKRGQTM-WPRPVWTQSA-N 1 0 398.166 2.500 20 0 GFADRO NC(=O)C1CC[NH+](CCc2ccc(NC(=O)[C@H]3CC3(Cl)Cl)cc2)CC1 ZINC000725730798 655525956 /nfs/dbraw/zinc/52/59/56/655525956.db2.gz LFCYNWIRAFTYNX-OAHLLOKOSA-N 1 0 384.307 2.559 20 0 GFADRO C[NH+]1CCC(NC(=O)CSc2nn(-c3ccccc3)c(=S)s2)CC1 ZINC000726235408 655532417 /nfs/dbraw/zinc/53/24/17/655532417.db2.gz GAJOFPBFPJQYQZ-UHFFFAOYSA-N 1 0 380.564 2.966 20 0 GFADRO COc1c(Cl)cc(NC(=O)C(=O)NC[C@@H](C)[NH+]2CCCCC2)cc1Cl ZINC000726291096 655532816 /nfs/dbraw/zinc/53/28/16/655532816.db2.gz AXIPOKPYDDVHGK-LLVKDONJSA-N 1 0 388.295 2.931 20 0 GFADRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)c2sc3ccccc3c2Cl)C1 ZINC000726863248 655539252 /nfs/dbraw/zinc/53/92/52/655539252.db2.gz CRVOFXSPSIWNTQ-GFCCVEGCSA-N 1 0 379.913 2.872 20 0 GFADRO COCC[N@H+](C)CCNC(=O)c1ccc(-c2ccccc2Br)n1C ZINC000726983204 655540366 /nfs/dbraw/zinc/54/03/66/655540366.db2.gz ORYYTVMQOBPZCV-UHFFFAOYSA-N 1 0 394.313 2.763 20 0 GFADRO CCCS(=O)(=O)Nc1ccc(NC(=S)NCC(C)(C)C[NH+](C)C)cc1 ZINC000727081508 655541635 /nfs/dbraw/zinc/54/16/35/655541635.db2.gz JQMIOKBRUXVRFI-UHFFFAOYSA-N 1 0 386.587 2.713 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)[C@H]1CSCN1C(=O)OC(C)(C)C)c1cccs1 ZINC000727116332 655542163 /nfs/dbraw/zinc/54/21/63/655542163.db2.gz UXNWDRDXWFHLIV-QWHCGFSZSA-N 1 0 385.555 2.777 20 0 GFADRO O=S(=O)(/C=C/c1ccccc1Cl)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000727456648 655545973 /nfs/dbraw/zinc/54/59/73/655545973.db2.gz BDRSVTVWOJJFQX-AAKUMTKESA-N 1 0 384.929 2.827 20 0 GFADRO C[NH+](C)C[C@@H](Cc1ccccc1)NS(=O)(=O)c1c(Cl)nc2sccn21 ZINC000728584262 655557275 /nfs/dbraw/zinc/55/72/75/655557275.db2.gz YQZCXHPBFQHGRI-CYBMUJFWSA-N 1 0 398.941 2.500 20 0 GFADRO CC(C)[NH2+][C@@H]1CCCN(C(=O)c2ccc(S(=O)(=O)C(F)(F)F)cc2)C1 ZINC000728604969 655557724 /nfs/dbraw/zinc/55/77/24/655557724.db2.gz MNPSAQRABOIRBA-CYBMUJFWSA-N 1 0 378.416 2.583 20 0 GFADRO CN(Cc1cc(Br)cs1)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000729503382 655565612 /nfs/dbraw/zinc/56/56/12/655565612.db2.gz DSJGDDQQLGVXBV-STQMWFEESA-N 1 0 388.331 2.515 20 0 GFADRO O=C(NCCOc1cccc(Cl)c1Cl)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000729498572 655565617 /nfs/dbraw/zinc/56/56/17/655565617.db2.gz RGOGPBQRUPQAJX-QWHCGFSZSA-N 1 0 388.295 2.535 20 0 GFADRO O=C(CCc1nc2cc(Cl)ccc2s1)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000730539787 655576460 /nfs/dbraw/zinc/57/64/60/655576460.db2.gz SHJFTDBEEVDJGR-ZIAGYGMSSA-N 1 0 379.913 2.862 20 0 GFADRO CO[C@@H](CNC(=O)NCC1CC[NH+](Cc2cccs2)CC1)C(F)(F)F ZINC000733344863 655613037 /nfs/dbraw/zinc/61/30/37/655613037.db2.gz MAZORXGJGHZPKT-AWEZNQCLSA-N 1 0 379.448 2.837 20 0 GFADRO O=C(Cc1ccc(Br)s1)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000733975080 655624806 /nfs/dbraw/zinc/62/48/06/655624806.db2.gz HHQIUHGBWSDRRA-ZDUSSCGKSA-N 1 0 387.343 2.813 20 0 GFADRO C[NH+](C)CCOC1CCN(Cn2ncc3c2cccc3Br)CC1 ZINC000738207915 655687181 /nfs/dbraw/zinc/68/71/81/655687181.db2.gz HKGFNCVPKXEWSR-UHFFFAOYSA-N 1 0 381.318 2.799 20 0 GFADRO S=c1n(Cc2cccs2)nnn1CN1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000738263902 655688503 /nfs/dbraw/zinc/68/85/03/655688503.db2.gz ANSIKDCQYVVMIF-OAHLLOKOSA-N 1 0 378.571 2.827 20 0 GFADRO C[C@@H]1C[C@@H](C)[N@H+](CN2C(=O)N[C@@](C)(c3ccc(Br)cc3)C2=O)C1 ZINC000740862589 655700054 /nfs/dbraw/zinc/70/00/54/655700054.db2.gz YHUKBSRRVABSRR-QFSBIZTOSA-N 1 0 380.286 2.904 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2c(Cl)nc3sccn32)C[C@@H]1C ZINC000740893748 655700513 /nfs/dbraw/zinc/70/05/13/655700513.db2.gz DFIHUQBUDXONAI-WDEREUQCSA-N 1 0 376.935 2.543 20 0 GFADRO CC[NH+]1CCN(CCNC(=S)N[C@@H](C)c2ccc(Br)cc2)CC1 ZINC000840715138 661177905 /nfs/dbraw/zinc/17/79/05/661177905.db2.gz OTNIZZPMSXVANO-AWEZNQCLSA-N 1 0 399.402 2.612 20 0 GFADRO CCc1cc[n+](C(C(=O)c2cnn(C)c2)C(=S)NCCCSC)cc1 ZINC000741238085 655704005 /nfs/dbraw/zinc/70/40/05/655704005.db2.gz GAKDWZSRXVTIQV-UHFFFAOYSA-O 1 0 377.559 2.824 20 0 GFADRO C[NH+]1CCC(NC(=S)NNc2c(F)cc(F)cc2Br)CC1 ZINC000741863159 655708604 /nfs/dbraw/zinc/70/86/04/655708604.db2.gz RWLTXSKGHKVNSX-UHFFFAOYSA-N 1 0 379.274 2.613 20 0 GFADRO C[NH+]1CCN(c2ccccc2NC(=O)c2c[nH]c(=O)c(Br)c2)CC1 ZINC000742040099 655709519 /nfs/dbraw/zinc/70/95/19/655709519.db2.gz CBLDSMXZIHXAIV-UHFFFAOYSA-N 1 0 391.269 2.554 20 0 GFADRO O=S(=O)(/C=C/c1ccccc1Br)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000742274566 655713526 /nfs/dbraw/zinc/71/35/26/655713526.db2.gz DFSQSUKGGZBCBB-AORWBKJGSA-N 1 0 385.327 2.824 20 0 GFADRO O=Cc1ccc(OCC(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)c(Br)c1 ZINC000742650529 655719915 /nfs/dbraw/zinc/71/99/15/655719915.db2.gz UETBUTDSSCOLLX-OAHLLOKOSA-N 1 0 395.297 2.727 20 0 GFADRO COC(=O)[C@](C)(NC(=O)C[NH+]1[C@H](C)CC[C@H]1C)c1cccc(Br)c1 ZINC000746240666 655759405 /nfs/dbraw/zinc/75/94/05/655759405.db2.gz SEDUSOCJVGAAGK-SNUQEOBHSA-N 1 0 397.313 2.826 20 0 GFADRO Cc1csc([C@](O)(CC(=O)N[C@@H](C)C[NH+]2CCCCC2)C(F)(F)F)n1 ZINC000746828245 655767505 /nfs/dbraw/zinc/76/75/05/655767505.db2.gz CWTMLIPYAGFNLN-XHDPSFHLSA-N 1 0 379.448 2.582 20 0 GFADRO C[NH+]1CCC(NC(=S)NCCC(=O)Nc2cc(Cl)cc(Cl)c2)CC1 ZINC000840760245 661184474 /nfs/dbraw/zinc/18/44/74/661184474.db2.gz UXOPPWCLBAZBEM-UHFFFAOYSA-N 1 0 389.352 2.880 20 0 GFADRO C[NH+](C)CCn1cc(NC(=O)NC[C@@H](O)c2c(Cl)cccc2Cl)cn1 ZINC000747557237 655780020 /nfs/dbraw/zinc/78/00/20/655780020.db2.gz MBUFNGZWCDQYKP-CQSZACIVSA-N 1 0 386.283 2.607 20 0 GFADRO C[NH+](C)[C@]1(CNC(=O)NC[C@H](O)c2cc(Cl)cc(Cl)c2)CCSC1 ZINC000748645950 655793317 /nfs/dbraw/zinc/79/33/17/655793317.db2.gz CXBZQNMLZBVHFN-HOCLYGCPSA-N 1 0 392.352 2.763 20 0 GFADRO Cc1ccc(/C=C/C(=O)NCCN2CCC([NH+](C)C)CC2)c(Br)c1 ZINC000748747771 655794788 /nfs/dbraw/zinc/79/47/88/655794788.db2.gz VVEOFAXQPNXOOR-VOTSOKGWSA-N 1 0 394.357 2.913 20 0 GFADRO CN(CC(F)F)C1CC[NH+](C[C@@H](O)COCc2ccccc2Cl)CC1 ZINC000749365587 655803733 /nfs/dbraw/zinc/80/37/33/655803733.db2.gz YFHXJMLWPHKDKM-MRXNPFEDSA-N 1 0 376.875 2.879 20 0 GFADRO O[C@@H](C[NH2+]C[C@H](O)COc1ccc(F)cc1)c1ccccc1Br ZINC000751574290 655831119 /nfs/dbraw/zinc/83/11/19/655831119.db2.gz HZOBBIRJKBYLFX-GUYCJALGSA-N 1 0 384.245 2.651 20 0 GFADRO COc1cc(C[NH2+]C[C@H](O)c2ccccc2Br)ccc1OCCO ZINC000751577014 655831239 /nfs/dbraw/zinc/83/12/39/655831239.db2.gz TUFGGYSXESUKER-INIZCTEOSA-N 1 0 396.281 2.652 20 0 GFADRO CS(=O)(=O)CC1(C[NH2+]Cc2c(-c3ccccc3)nc3sccn23)CC1 ZINC000751993228 655838069 /nfs/dbraw/zinc/83/80/69/655838069.db2.gz HOZNETHXNYFBLC-UHFFFAOYSA-N 1 0 375.519 2.977 20 0 GFADRO COCCC[N@H+](C)CCNC(=O)N[C@@H](C)[C@@H](O)c1c(Cl)cccc1Cl ZINC000752993786 655849020 /nfs/dbraw/zinc/84/90/20/655849020.db2.gz CZLDLXMFEPFLNC-BLLLJJGKSA-N 1 0 392.327 2.683 20 0 GFADRO COCCC[N@H+](C)CCNC(=O)N[C@@H](C)[C@H](O)c1c(Cl)cccc1Cl ZINC000752993787 655849045 /nfs/dbraw/zinc/84/90/45/655849045.db2.gz CZLDLXMFEPFLNC-LRDDRELGSA-N 1 0 392.327 2.683 20 0 GFADRO COC(=O)c1cccc(NC(=S)NC2CC[NH+](C)CC2)c1Br ZINC000754849171 655875207 /nfs/dbraw/zinc/87/52/07/655875207.db2.gz AKXSLAUYRNJXRU-UHFFFAOYSA-N 1 0 386.315 2.616 20 0 GFADRO C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)Nc1cc2c(cc1Br)OCCO2 ZINC000755446510 655883593 /nfs/dbraw/zinc/88/35/93/655883593.db2.gz OXSIPGCIKWDIDQ-QWRGUYRKSA-N 1 0 384.274 2.777 20 0 GFADRO Cc1ccc(N2N=C(Br)C[C@H]2C(=O)N2CCC([NH+](C)C)CC2)cc1 ZINC000756105817 655895030 /nfs/dbraw/zinc/89/50/30/655895030.db2.gz NDNVMWOTKZGSAN-INIZCTEOSA-N 1 0 393.329 2.835 20 0 GFADRO Cc1cc(Br)cn2cc(CCNC(=O)C3([NH+](C)C)CCC3)nc12 ZINC000756320619 655898300 /nfs/dbraw/zinc/89/83/00/655898300.db2.gz UGZSIHPBBKFIOC-UHFFFAOYSA-N 1 0 379.302 2.548 20 0 GFADRO C[NH+]1CCN(c2ccccc2NC(=O)c2cccnc2Br)CC1 ZINC000757634584 655914054 /nfs/dbraw/zinc/91/40/54/655914054.db2.gz OFNHKPNDDBFFDF-UHFFFAOYSA-N 1 0 375.270 2.848 20 0 GFADRO O[C@@H](C[NH2+]C[C@]1(N2CCOCC2)CCSC1)c1ccc(Cl)cc1Cl ZINC000759064114 655946295 /nfs/dbraw/zinc/94/62/95/655946295.db2.gz CZQOGRYYBMMFHD-DLBZAZTESA-N 1 0 391.364 2.824 20 0 GFADRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NS(=O)(=O)c1c(Cl)nc2sccn21 ZINC000759790721 655963265 /nfs/dbraw/zinc/96/32/65/655963265.db2.gz PMBDMPXTYFYAIM-UTUOFQBUSA-N 1 0 390.962 2.694 20 0 GFADRO CC(C)N1CC[NH+](C2CCN(Cn3nc(C4CC4)sc3=S)CC2)CC1 ZINC000760283835 655974395 /nfs/dbraw/zinc/97/43/95/655974395.db2.gz FHBRTZRGURZYHQ-UHFFFAOYSA-N 1 0 381.615 2.999 20 0 GFADRO Cc1cc(S(=O)(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)c(Cl)cc1F ZINC000760572656 655985389 /nfs/dbraw/zinc/98/53/89/655985389.db2.gz DCZSYWYVLBUMBF-CQSZACIVSA-N 1 0 390.908 2.709 20 0 GFADRO C[NH+](C)[C@H]1CCCN(C(=O)/C=C\c2ccc(I)o2)CC1 ZINC000760760427 655991152 /nfs/dbraw/zinc/99/11/52/655991152.db2.gz CNSLOBRALFYZAE-VFFGBVLKSA-N 1 0 388.249 2.840 20 0 GFADRO CC(C)S(=O)(=O)CC[NH2+][C@@]1(CNC(=O)OC(C)(C)C)CCCC[C@@H]1C ZINC000760858016 655993746 /nfs/dbraw/zinc/99/37/46/655993746.db2.gz VIYXKSTWHNVMJQ-MAUKXSAKSA-N 1 0 376.563 2.873 20 0 GFADRO C[C@]1(c2cccc(Br)c2)NC(=O)N([C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1=O ZINC000761077417 655998159 /nfs/dbraw/zinc/99/81/59/655998159.db2.gz QJSOAVIMZVCLMZ-IIDMSEBBSA-N 1 0 392.297 2.843 20 0 GFADRO COCC1([N@H+](C)C[C@@H](O)COc2ccc(Cl)cc2Br)CC1 ZINC000761103004 655998286 /nfs/dbraw/zinc/99/82/86/655998286.db2.gz UYCMELKGWZYGIU-GFCCVEGCSA-N 1 0 378.694 2.953 20 0 GFADRO COCC[N@@H+]1CC[C@@H](N2C(=O)[C@@H](c3ccc(Cl)c(Cl)c3)N(C)C2=O)C1 ZINC000761254997 656005455 /nfs/dbraw/zinc/00/54/55/656005455.db2.gz KOJUHKSHDVGOCR-IUODEOHRSA-N 1 0 386.279 2.649 20 0 GFADRO C[C@@H]1C[C@@H](N2C(=O)N[C@@H](c3ccc(Br)cc3)C2=O)C[N@@H+]1C1CC1 ZINC000762096357 656031105 /nfs/dbraw/zinc/03/11/05/656031105.db2.gz HMMITANDMRTSSH-KMUNFCNLSA-N 1 0 378.270 2.667 20 0 GFADRO C[C@@H]1C[C@@H](N2C(=O)CN(Cc3cccc(Br)c3)C2=O)C[N@@H+]1C1CC1 ZINC000762097437 656031172 /nfs/dbraw/zinc/03/11/72/656031172.db2.gz TUQJDQQJBPEZTP-MLGOLLRUSA-N 1 0 392.297 2.839 20 0 GFADRO C[NH+]1CCC2(CCN2C(=O)c2cc(I)ccc2F)CC1 ZINC000762542731 656047806 /nfs/dbraw/zinc/04/78/06/656047806.db2.gz CJPDDIKYZHGIKE-UHFFFAOYSA-N 1 0 388.224 2.741 20 0 GFADRO Cc1sc(Cl)nc1C(=O)NCc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000762902052 656063242 /nfs/dbraw/zinc/06/32/42/656063242.db2.gz UTIIJSNFUDJOIB-HNNXBMFYSA-N 1 0 379.913 2.992 20 0 GFADRO CCOC(=O)CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)c1nc(Cl)sc1C ZINC000762901153 656063336 /nfs/dbraw/zinc/06/33/36/656063336.db2.gz VRVOLVFNKLKBJY-ZDUSSCGKSA-N 1 0 387.933 2.985 20 0 GFADRO COCC[N@@H+]1CCCN(C(=O)[C@H](C)Sc2nc3ccccc3s2)CC1 ZINC000762961612 656066950 /nfs/dbraw/zinc/06/69/50/656066950.db2.gz PIORBMFQCRAICU-AWEZNQCLSA-N 1 0 379.551 2.958 20 0 GFADRO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)N[C@@H]1CC[C@@H]2SCCS[C@H]12 ZINC000763006682 656068274 /nfs/dbraw/zinc/06/82/74/656068274.db2.gz ANCQQDQBSTYIDX-XWTMOSNGSA-N 1 0 379.595 2.838 20 0 GFADRO OCC[C@H]([NH2+]Cc1ccccc1I)C1CCOCC1 ZINC000763466519 656083627 /nfs/dbraw/zinc/08/36/27/656083627.db2.gz IPMQDUNMXWOANT-HNNXBMFYSA-N 1 0 375.250 2.558 20 0 GFADRO CCCN(CC[NH+](CC)CC)S(=O)(=O)c1c(Cl)nc2sccn21 ZINC000763618909 656088434 /nfs/dbraw/zinc/08/84/34/656088434.db2.gz IHRMTABUKAQYEE-UHFFFAOYSA-N 1 0 378.951 2.792 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)c2ccnc(Cl)c2I)CC[N@@H+]1C ZINC000764367582 656109322 /nfs/dbraw/zinc/10/93/22/656109322.db2.gz QMIMHEGKPDNAPA-BDAKNGLRSA-N 1 0 393.656 2.552 20 0 GFADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=S)NCc1ccon1 ZINC000764455684 656110986 /nfs/dbraw/zinc/11/09/86/656110986.db2.gz BXKBYGGZQNVELJ-UHFFFAOYSA-N 1 0 397.342 2.875 20 0 GFADRO Cc1cc2c(cc1Br)N(C[C@@H]1CCCN(C(=O)C[NH3+])C1)CCC2 ZINC000841011821 661226823 /nfs/dbraw/zinc/22/68/23/661226823.db2.gz OHYLESSVFYOTLG-AWEZNQCLSA-N 1 0 380.330 2.707 20 0 GFADRO O=C(Nc1cc2c(cc1Br)OCCO2)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000841014001 661226961 /nfs/dbraw/zinc/22/69/61/661226961.db2.gz DFEFLQZDCFUBLV-QGZVFWFLSA-N 1 0 396.285 2.828 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)Nc1cc2c(cc1Br)OCCO2 ZINC000841014594 661227174 /nfs/dbraw/zinc/22/71/74/661227174.db2.gz GYSFNBJJRGZMGU-GWCFXTLKSA-N 1 0 384.274 2.954 20 0 GFADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)N1CCc2c(Cl)cc(Cl)cc2C1 ZINC000765755229 656151079 /nfs/dbraw/zinc/15/10/79/656151079.db2.gz PSYBJYYVAZMXDC-CABCVRRESA-N 1 0 384.307 2.924 20 0 GFADRO O=S(=O)(N1CCC(C[NH2+][C@H]2Cc3ccc(Cl)cc3C2)CC1)C(F)(F)F ZINC000765934041 656155601 /nfs/dbraw/zinc/15/56/01/656155601.db2.gz GFVGAGUTHKFOKB-HNNXBMFYSA-N 1 0 396.862 2.958 20 0 GFADRO COCCOC[C@@H](C)[NH2+][C@@H]1CCCN(c2ccc(Br)c(C)c2)C1=O ZINC000766039766 656158284 /nfs/dbraw/zinc/15/82/84/656158284.db2.gz WCTUJMAOGVVNLH-RHSMWYFYSA-N 1 0 399.329 2.894 20 0 GFADRO COc1cc([C@H](C)N[C@H]2CC[N@H+](C)[C@@H](C)C2)ccc1S(=O)(=O)C(F)F ZINC000766166803 656163510 /nfs/dbraw/zinc/16/35/10/656163510.db2.gz UETOMYAMDVRFEK-OBJOEFQTSA-N 1 0 376.469 2.825 20 0 GFADRO CS[C@@H]1CN(S(=O)(=O)c2ccc(OC3CCCC3)cc2)C[C@@H]1[NH+](C)C ZINC000767313925 656199489 /nfs/dbraw/zinc/19/94/89/656199489.db2.gz BHOATEQBGPWXIC-ZWKOTPCHSA-N 1 0 384.567 2.674 20 0 GFADRO Cc1nc(Br)sc1C(=O)N1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000841158646 661239728 /nfs/dbraw/zinc/23/97/28/661239728.db2.gz XBJUVWJMCDGGCW-GRYCIOLGSA-N 1 0 388.331 2.538 20 0 GFADRO CCCN(C(=O)C(=O)Nc1ccccc1SC(F)(F)F)[C@H]1CC[NH2+]C1 ZINC000841168171 661240907 /nfs/dbraw/zinc/24/09/07/661240907.db2.gz AIQMDOAICKBLBT-NSHDSACASA-N 1 0 375.416 2.838 20 0 GFADRO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)Nc2ccc3cc(Br)ccc3c2)C1 ZINC000841171826 661241134 /nfs/dbraw/zinc/24/11/34/661241134.db2.gz YTFOPVGCAAZKPD-LBPRGKRZSA-N 1 0 390.281 2.609 20 0 GFADRO C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)Nc1cnc(Cl)c(Br)c1 ZINC000841187670 661242520 /nfs/dbraw/zinc/24/25/20/661242520.db2.gz XLPRQFMAUQYQSH-XCBNKYQSSA-N 1 0 377.670 2.732 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)C(=O)N(C)C1CCC([NH3+])CC1 ZINC000841190598 661243182 /nfs/dbraw/zinc/24/31/82/661243182.db2.gz TUZMARYFPXLMAG-UHFFFAOYSA-N 1 0 382.302 2.678 20 0 GFADRO [NH3+]CCCOC1CCN(C(=O)Nc2cnc(Cl)c(Br)c2)CC1 ZINC000841192658 661243249 /nfs/dbraw/zinc/24/32/49/661243249.db2.gz UOCIYWOKESWVSW-UHFFFAOYSA-N 1 0 391.697 2.859 20 0 GFADRO COCCS(=O)(=O)CCC[NH+]1CCC(Cc2ccc(F)c(F)c2)CC1 ZINC000769227482 656268011 /nfs/dbraw/zinc/26/80/11/656268011.db2.gz DESBDPKTYLSPSA-UHFFFAOYSA-N 1 0 375.481 2.671 20 0 GFADRO COC[C@@]1(CNC(=O)Nc2cc3ccccc3nc2Br)CCC[NH2+]1 ZINC000841215243 661245036 /nfs/dbraw/zinc/24/50/36/661245036.db2.gz LQIXNBOYYLNGOS-KRWDZBQOSA-N 1 0 393.285 2.887 20 0 GFADRO COCCOC[C@@H]1CC[N@H+](Cc2ccccc2I)C1 ZINC000769507754 656278845 /nfs/dbraw/zinc/27/88/45/656278845.db2.gz OBRWMZVFHUCNQR-CYBMUJFWSA-N 1 0 375.250 2.776 20 0 GFADRO CC(C)[N@@H+]1CCC[C@@H](NC(=O)/C=C\c2ccc(I)o2)C1 ZINC000769657795 656284507 /nfs/dbraw/zinc/28/45/07/656284507.db2.gz UPEMHSCLGARTNT-XYLWRLHESA-N 1 0 388.249 2.886 20 0 GFADRO C[C@H](CCN1CC[NH+](C)CC1)NC(=S)Nc1cccc(Br)c1 ZINC000769761395 656290360 /nfs/dbraw/zinc/29/03/60/656290360.db2.gz WVXDFSWQAFZESB-CYBMUJFWSA-N 1 0 385.375 2.762 20 0 GFADRO CCOC(=O)N1CC[C@@H]([NH2+]Cc2cnc3c(C)cc(Br)cn23)C1 ZINC000769938720 656301754 /nfs/dbraw/zinc/30/17/54/656301754.db2.gz HEVNXHFPNIYWRH-CYBMUJFWSA-N 1 0 381.274 2.726 20 0 GFADRO C[N@@H+]1CC[C@@]2(CCN(C(=O)c3cc(=O)c4cc(Br)ccc4o3)C2)C1 ZINC000841243537 661248145 /nfs/dbraw/zinc/24/81/45/661248145.db2.gz UXQGYRCOVQYNKT-GOSISDBHSA-N 1 0 391.265 2.723 20 0 GFADRO O=C1C[C@@H]([C@H]2CCCC[N@H+]2Cc2ccccc2I)CN1 ZINC000770378366 656317589 /nfs/dbraw/zinc/31/75/89/656317589.db2.gz DTPXGMXYDAXUBP-UKRRQHHQSA-N 1 0 384.261 2.782 20 0 GFADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)N1Cc2ccc(Br)cc2C1 ZINC000770586971 656323422 /nfs/dbraw/zinc/32/34/22/656323422.db2.gz YFPXDVPZMKIFGE-AWEZNQCLSA-N 1 0 395.345 2.500 20 0 GFADRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)c1cc(=O)c2cc(Br)ccc2o1 ZINC000841395584 661259762 /nfs/dbraw/zinc/25/97/62/661259762.db2.gz WWAIJYQUSDKEME-LBPRGKRZSA-N 1 0 393.281 2.969 20 0 GFADRO CS[C@@H]1CN(c2ccc(S(=O)(=O)C(F)F)cc2)C[C@H]1[NH+]1CCCC1 ZINC000772581636 656383507 /nfs/dbraw/zinc/38/35/07/656383507.db2.gz WEJSZKRGCZNOMH-HUUCEWRRSA-N 1 0 376.494 2.699 20 0 GFADRO C[NH+](C)CCOC1CCN(C(=O)C[C@H](O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000772688393 656385968 /nfs/dbraw/zinc/38/59/68/656385968.db2.gz JRWILOKLEKWQII-KRWDZBQOSA-N 1 0 389.323 2.986 20 0 GFADRO CCNS(=O)(=O)CC[NH2+][C@@H]1CCCc2nc(-c3ccccc3F)sc21 ZINC000772979237 656396296 /nfs/dbraw/zinc/39/62/96/656396296.db2.gz PQFQGGYXOKKWIS-CQSZACIVSA-N 1 0 383.514 2.856 20 0 GFADRO COc1ccc(CC[C@H](C)[NH2+]C[C@@H](O)CS(=O)(=O)c2cccs2)cc1 ZINC000773091831 656399313 /nfs/dbraw/zinc/39/93/13/656399313.db2.gz KPAXAOLCJRMBSG-GOEBONIOSA-N 1 0 383.535 2.502 20 0 GFADRO COc1cc([C@@H](C)[NH2+][C@@H](CO)CC(F)(F)F)ccc1S(=O)(=O)C(F)F ZINC000773107477 656399759 /nfs/dbraw/zinc/39/97/59/656399759.db2.gz PPEPZAMJWOPFLM-PSASIEDQSA-N 1 0 391.358 2.655 20 0 GFADRO C[C@H](C[C@@H]1CCOC1)[NH2+]CCOc1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000773128088 656400548 /nfs/dbraw/zinc/40/05/48/656400548.db2.gz ADOREUBTHBAGSB-OLZOCXBDSA-N 1 0 381.416 2.764 20 0 GFADRO C[NH+](C)CC1CCN(Cn2c(=O)oc3cc(Br)c(F)cc32)CC1 ZINC000773305580 656409627 /nfs/dbraw/zinc/40/96/27/656409627.db2.gz CIPUMRJKESGRFP-UHFFFAOYSA-N 1 0 386.265 2.727 20 0 GFADRO O=c1oc2cc(Br)c(F)cc2n1CN1CC[C@@H]([C@H]2CCOC2)C1 ZINC000773320072 656411730 /nfs/dbraw/zinc/41/17/30/656411730.db2.gz CQTFGGPIGXZWLI-MNOVXSKESA-N 1 0 385.233 2.812 20 0 GFADRO C[C@@H](NC(=O)c1cc(=O)c2cc(Br)ccc2o1)C1=CC[N@H+](C)CC1 ZINC000841415779 661262746 /nfs/dbraw/zinc/26/27/46/661262746.db2.gz HJXIZYBZOCWDKC-LLVKDONJSA-N 1 0 391.265 2.936 20 0 GFADRO C[NH+](C)Cc1c2ccccc2oc1C(=O)NCc1cnc(Br)cn1 ZINC000773503578 656453505 /nfs/dbraw/zinc/45/35/05/656453505.db2.gz JCKXQIHIUYMXOO-UHFFFAOYSA-N 1 0 389.253 2.977 20 0 GFADRO COC[C@H](C)OC[C@H](O)C[N@@H+]1CCC[C@H]1Cc1ccc(Br)cc1 ZINC000773525103 656455850 /nfs/dbraw/zinc/45/58/50/656455850.db2.gz JNTJZMDUKXFYGO-JCGIZDLHSA-N 1 0 386.330 2.868 20 0 GFADRO Cc1cc(Br)ncc1NC(=O)C(=O)NCCC[NH+](C(C)C)C(C)C ZINC000774291299 656515092 /nfs/dbraw/zinc/51/50/92/656515092.db2.gz WEGXZSNDNMBOSB-UHFFFAOYSA-N 1 0 399.333 2.716 20 0 GFADRO C[C@H]([NH2+][C@@H](C)[C@@H](O)c1c(F)cccc1Cl)c1ccc(S(N)(=O)=O)cc1 ZINC000774461909 656529616 /nfs/dbraw/zinc/52/96/16/656529616.db2.gz RDNLFGWWJXVJSD-PSVSLLHZSA-N 1 0 386.876 2.899 20 0 GFADRO COc1ccc([C@@H](CCO)[NH2+]CCS(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000774844825 656561965 /nfs/dbraw/zinc/56/19/65/656561965.db2.gz AJIQKIPJHWOOCA-GOSISDBHSA-N 1 0 383.897 2.836 20 0 GFADRO COc1cc(C[NH2+]Cc2cc(C)cc(Br)c2)ccc1OCC(N)=O ZINC000774971916 656577754 /nfs/dbraw/zinc/57/77/54/656577754.db2.gz ACIAIKAUQXLWLU-UHFFFAOYSA-N 1 0 393.281 2.920 20 0 GFADRO O=S(=O)(c1cccc2scnc21)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000841506994 661278535 /nfs/dbraw/zinc/27/85/35/661278535.db2.gz FZPHPOIDKLLFQO-DZGCQCFKSA-N 1 0 377.535 2.934 20 0 GFADRO O=S(=O)(c1cccc2scnc21)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000841506997 661278715 /nfs/dbraw/zinc/27/87/15/661278715.db2.gz FZPHPOIDKLLFQO-ZFWWWQNUSA-N 1 0 377.535 2.934 20 0 GFADRO C[NH+](C)C1(C(=O)N2CCO[C@@H](c3ccc(F)c(Br)c3)C2)CCC1 ZINC000775170694 656608678 /nfs/dbraw/zinc/60/86/78/656608678.db2.gz DEPWHRFHLAYRAH-OAHLLOKOSA-N 1 0 385.277 2.972 20 0 GFADRO CS(=O)(=O)C[C@H]([NH2+]C[C@H](O)c1cccc(Br)c1)c1ccccc1 ZINC000775550085 656648354 /nfs/dbraw/zinc/64/83/54/656648354.db2.gz XEDJHMXGIVGODB-IRXDYDNUSA-N 1 0 398.322 2.858 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CNC(=S)NCc1ccc(Br)cc1OC ZINC000777469768 656825346 /nfs/dbraw/zinc/82/53/46/656825346.db2.gz AHDLEVDTBVVNFZ-CQSZACIVSA-N 1 0 386.359 2.906 20 0 GFADRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2cn(C(C)(C)C)nc2Br)C1 ZINC000779989047 656974647 /nfs/dbraw/zinc/97/46/47/656974647.db2.gz SQOJLURWHPBWAR-JSGCOSHPSA-N 1 0 383.334 2.957 20 0 GFADRO CCO[C@@H]1C[C@](CO)([NH2+]Cc2ccccc2I)C1(C)C ZINC000780590010 657015570 /nfs/dbraw/zinc/01/55/70/657015570.db2.gz KSQZJIYDQFCTFM-GDBMZVCRSA-N 1 0 389.277 2.947 20 0 GFADRO CC[N@H+](CCNS(=O)(=O)c1ccc(Br)c(C(C)=O)c1)C(C)C ZINC000780857562 657033297 /nfs/dbraw/zinc/03/32/97/657033297.db2.gz YLVYSGAERFAQJC-UHFFFAOYSA-N 1 0 391.331 2.660 20 0 GFADRO CC[N@H+](CCNS(=O)(=O)c1cc(Br)cc(F)c1OC)C(C)C ZINC000780855089 657033402 /nfs/dbraw/zinc/03/34/02/657033402.db2.gz FDLLJEAIWCZBDM-UHFFFAOYSA-N 1 0 397.310 2.605 20 0 GFADRO C[NH+](C)CCCNC(=S)N1CCO[C@@H](c2ccccc2C(F)(F)F)C1 ZINC000781543677 657062568 /nfs/dbraw/zinc/06/25/68/657062568.db2.gz LGOCCYZXNRVNOK-OAHLLOKOSA-N 1 0 375.460 2.905 20 0 GFADRO C[N@H+](CCN1CCN(C(=O)c2csc(Cl)n2)CC1)Cc1ccccc1 ZINC000781926633 657090221 /nfs/dbraw/zinc/09/02/21/657090221.db2.gz RQHNKJATEQZJBG-UHFFFAOYSA-N 1 0 378.929 2.686 20 0 GFADRO Cn1nc(C(F)(F)F)c(CN2CC[NH+](CC3CCOCC3)CC2)c1Cl ZINC000782153895 657106860 /nfs/dbraw/zinc/10/68/60/657106860.db2.gz OQOAJJLBYMUWPP-UHFFFAOYSA-N 1 0 380.842 2.637 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)c1cnn(-c2ccccc2)c1Br ZINC000782167854 657109608 /nfs/dbraw/zinc/10/96/08/657109608.db2.gz UHWBTKNHFXWAMN-GFCCVEGCSA-N 1 0 375.270 2.601 20 0 GFADRO CSCCCCCCNC(=S)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000782208696 657115296 /nfs/dbraw/zinc/11/52/96/657115296.db2.gz WTPZRHSEVNTDIB-QZTJIDSGSA-N 1 0 386.675 2.742 20 0 GFADRO Cn1nc(C(F)(F)F)c(CN2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)c1Cl ZINC000782484089 657149147 /nfs/dbraw/zinc/14/91/47/657149147.db2.gz CFAUBDDBFRTJMV-RAIGVLPGSA-N 1 0 380.842 2.776 20 0 GFADRO O=C1NCC2(CC[NH+](Cc3cnn(-c4ccc(Br)cc4)c3)CC2)O1 ZINC000783721733 657253852 /nfs/dbraw/zinc/25/38/52/657253852.db2.gz LSGXKWNGRMBBMT-UHFFFAOYSA-N 1 0 391.269 2.709 20 0 GFADRO COCCS(=O)(=O)CCC[N@@H+]1CC[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000784482305 657313142 /nfs/dbraw/zinc/31/31/42/657313142.db2.gz HDWHOVKOCBKCBB-OAHLLOKOSA-N 1 0 379.444 2.946 20 0 GFADRO Cn1nc(Br)cc1C[NH2+]Cc1ccc(CN2CCCC2=O)cc1 ZINC000785430730 657364165 /nfs/dbraw/zinc/36/41/65/657364165.db2.gz CAIBIFIZHBQBON-UHFFFAOYSA-N 1 0 377.286 2.595 20 0 GFADRO Cn1ncc(Br)c1C[NH2+]C[C@@H](O)c1ccc(OC(F)(F)F)cc1 ZINC000785443480 657365282 /nfs/dbraw/zinc/36/52/82/657365282.db2.gz WTPXEWBRGASQEO-CYBMUJFWSA-N 1 0 394.191 2.904 20 0 GFADRO Cn1nc(Br)cc1C[NH2+]CCOc1ccc(C(F)(F)F)cn1 ZINC000785487604 657368241 /nfs/dbraw/zinc/36/82/41/657368241.db2.gz ORZSCXDHWYRFDZ-UHFFFAOYSA-N 1 0 379.180 2.765 20 0 GFADRO C[NH+](C)CCc1ccc(CNC(=O)N[C@@H]2CC[C@H]3SCCS[C@H]23)cc1 ZINC000786137622 657409314 /nfs/dbraw/zinc/40/93/14/657409314.db2.gz ZWJAYORMLZSAOP-KZNAEPCWSA-N 1 0 379.595 2.970 20 0 GFADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)Nc1cc(Br)c(F)cc1F ZINC000786167633 657412348 /nfs/dbraw/zinc/41/23/48/657412348.db2.gz IUVINWCLHVSXAW-ZJUUUORDSA-N 1 0 390.228 2.712 20 0 GFADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)c2ccc(OC(F)(F)Cl)cc2)C1 ZINC000786753407 657460140 /nfs/dbraw/zinc/46/01/40/657460140.db2.gz MWIJXBOIAUVAJR-OAHLLOKOSA-N 1 0 376.831 2.941 20 0 GFADRO CC[NH+]1CCN(c2cccc(NCc3cc(Br)nn3C)c2)CC1 ZINC000787275140 657537692 /nfs/dbraw/zinc/53/76/92/657537692.db2.gz MZGVDXCJTOXTBB-UHFFFAOYSA-N 1 0 378.318 2.937 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)C(=O)NCCSC(C)(C)C)c1ccc(Cl)cc1 ZINC000788371145 657703222 /nfs/dbraw/zinc/70/32/22/657703222.db2.gz JGBGJQNDRVGYRY-OAHLLOKOSA-N 1 0 385.961 2.707 20 0 GFADRO CC[C@H](C[NH+]1CCCC1)NS(=O)(=O)c1sc(C(=O)OC)c(Cl)c1C ZINC000788645649 657760557 /nfs/dbraw/zinc/76/05/57/657760557.db2.gz QLXIPQJXSPVCHC-LLVKDONJSA-N 1 0 394.946 2.649 20 0 GFADRO CN(CC[NH2+][C@H]1CCc2ccc(Cl)nc21)S(=O)(=O)c1ccc(F)cc1 ZINC000788804725 657786523 /nfs/dbraw/zinc/78/65/23/657786523.db2.gz XVFFOLZXXSGCBR-HNNXBMFYSA-N 1 0 383.876 2.772 20 0 GFADRO Cn1cnc(S(=O)(=O)N[C@H](C[NH+]2CCCCC2)c2ccccc2)c1Cl ZINC000788915563 657796843 /nfs/dbraw/zinc/79/68/43/657796843.db2.gz GNMVWCPERVIOJZ-OAHLLOKOSA-N 1 0 382.917 2.579 20 0 GFADRO C[C@H]1CCC[N@@H+]1CCNCc1ccc(Br)cc1N1CCOCC1 ZINC000788963805 657804182 /nfs/dbraw/zinc/80/41/82/657804182.db2.gz JHWVFSASQGGSAR-HNNXBMFYSA-N 1 0 382.346 2.860 20 0 GFADRO CCS(=O)(=O)CCCCC[N@@H+]1CC[C@H](NC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000789349043 657840407 /nfs/dbraw/zinc/84/04/07/657840407.db2.gz ZRMFFUILYZFCAD-CVEARBPZSA-N 1 0 376.563 2.827 20 0 GFADRO COc1nc(Br)ccc1NC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000789381092 657845754 /nfs/dbraw/zinc/84/57/54/657845754.db2.gz JZVNOTSLGXATFK-LBPRGKRZSA-N 1 0 383.290 2.802 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)c1nc(Br)ccc1Br)C1CC1 ZINC000790364182 657959471 /nfs/dbraw/zinc/95/94/71/657959471.db2.gz BSFNOPLNOAKGMT-JTQLQIEISA-N 1 0 391.107 2.677 20 0 GFADRO COC(=O)c1c2cnn(CN3CCC[C@H]([NH+](C)C)C3)c2ccc1Br ZINC000790448015 657982163 /nfs/dbraw/zinc/98/21/63/657982163.db2.gz ZGFDCQFCTBGDOF-LBPRGKRZSA-N 1 0 395.301 2.569 20 0 GFADRO COC(=O)c1cc(S(=O)(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)ccc1Cl ZINC000790451643 657983898 /nfs/dbraw/zinc/98/38/98/657983898.db2.gz TZVBHRRGEWJUNW-OAHLLOKOSA-N 1 0 388.917 2.525 20 0 GFADRO CCc1c(Cl)nc(CS(C)(=O)=O)nc1NCC(C)(C)C[NH+]1CCCC1 ZINC000790818351 658028714 /nfs/dbraw/zinc/02/87/14/658028714.db2.gz IKCDYMYKOWPJJQ-UHFFFAOYSA-N 1 0 388.965 2.771 20 0 GFADRO Nc1nc(N2CCC[C@@H](OC(=O)c3ccc(Br)cc3)C2)cc[nH+]1 ZINC000791107209 658059936 /nfs/dbraw/zinc/05/99/36/658059936.db2.gz KDOHGXJCVZVOSN-CYBMUJFWSA-N 1 0 377.242 2.647 20 0 GFADRO COc1cccc([C@@H](CNC(=O)Cc2cccnc2Br)[NH+](C)C)c1 ZINC000791300551 658078116 /nfs/dbraw/zinc/07/81/16/658078116.db2.gz IWFJIUNRJVVVBU-MRXNPFEDSA-N 1 0 392.297 2.814 20 0 GFADRO CC[NH+](CC)[C@H](C)CNC(=O)/C=C/c1ccc(I)o1 ZINC000791917461 658204556 /nfs/dbraw/zinc/20/45/56/658204556.db2.gz TZTICLMSZWOHRJ-MXMFLMJRSA-N 1 0 376.238 2.744 20 0 GFADRO CC(=O)Nc1ccc(OC[C@H](O)C[N@@H+]2CC[C@]3(C)[C@H](C2)C3(Cl)Cl)cc1 ZINC000792902392 658328416 /nfs/dbraw/zinc/32/84/16/658328416.db2.gz DJHOGCALIMNAPI-HYVNUMGLSA-N 1 0 387.307 2.900 20 0 GFADRO COc1cccc(OC)c1OC[C@H](O)C[N@@H+]1CC[C@]2(C)[C@H](C1)C2(Cl)Cl ZINC000792909295 658329122 /nfs/dbraw/zinc/32/91/22/658329122.db2.gz STOXKAYROHBCLK-ISTRZQFTSA-N 1 0 390.307 2.959 20 0 GFADRO CC(C)[C@H](C(=O)OCc1cn(-c2ccccc2Br)nn1)[NH+](C)C ZINC000793373462 658391452 /nfs/dbraw/zinc/39/14/52/658391452.db2.gz WQBTWLFXVUHFFS-OAHLLOKOSA-N 1 0 381.274 2.659 20 0 GFADRO CCOC(=O)N1CC[C@@H]([NH2+]Cc2ccc(C(=O)OC)cc2Br)C1 ZINC000793589611 658413873 /nfs/dbraw/zinc/41/38/73/658413873.db2.gz JCKJOXZXVFBIGR-CYBMUJFWSA-N 1 0 385.258 2.556 20 0 GFADRO Cc1ccc(NC(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)nc1Br ZINC000794358452 658527750 /nfs/dbraw/zinc/52/77/50/658527750.db2.gz CAQXVSMPIQUFAV-ZIAGYGMSSA-N 1 0 397.317 2.652 20 0 GFADRO C[C@@H]1OCC[C@]12C[N@H+](Cn1ccc(=O)c3cccc(Br)c31)CCO2 ZINC000794662703 658593320 /nfs/dbraw/zinc/59/33/20/658593320.db2.gz OXLDRGSUILTNDP-UGSOOPFHSA-N 1 0 393.281 2.601 20 0 GFADRO FC(F)(F)C1CC[NH+](C2CC(NC(=S)NC[C@H]3CCCCO3)C2)CC1 ZINC000795001508 658648105 /nfs/dbraw/zinc/64/81/05/658648105.db2.gz UTHRNYMXSDDYST-YMAMQOFZSA-N 1 0 379.492 2.825 20 0 GFADRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1CN1C(=O)c2ccc(Br)cc2C1=O ZINC000795704065 658843058 /nfs/dbraw/zinc/84/30/58/658843058.db2.gz GTZLCZCUZSWMFA-GXTWGEPZSA-N 1 0 392.297 2.561 20 0 GFADRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1CN1Cc2c(cccc2Br)C1=O ZINC000795708122 658843386 /nfs/dbraw/zinc/84/33/86/658843386.db2.gz RITNXTDYWMCWFY-KGLIPLIRSA-N 1 0 378.314 2.921 20 0 GFADRO Cc1cc(Br)cc(C)c1N1CCC[C@@H]([NH2+][C@H](CO)C2CC2)C1=O ZINC000795990673 658879087 /nfs/dbraw/zinc/87/90/87/658879087.db2.gz AMSUEVKIBHPBAO-HZPDHXFCSA-N 1 0 381.314 2.922 20 0 GFADRO CCCN(CC[NH+]1CCCCC1)S(=O)(=O)c1cnc(Cl)c(OC)c1 ZINC000796125184 658894390 /nfs/dbraw/zinc/89/43/90/658894390.db2.gz GVXFUABLBMZSLG-UHFFFAOYSA-N 1 0 375.922 2.630 20 0 GFADRO COC(=O)C[C@](C)([NH2+]C[C@H]1CC2(CC2)C(=O)O1)c1ccc(Br)cc1 ZINC000796497821 658920183 /nfs/dbraw/zinc/92/01/83/658920183.db2.gz ORTBRLNYXPPUAS-PBHICJAKSA-N 1 0 396.281 2.913 20 0 GFADRO COC(=O)N1CCC(C[NH2+]Cc2cc(Br)c(O)c(OC)c2)CC1 ZINC000796501111 658920717 /nfs/dbraw/zinc/92/07/17/658920717.db2.gz UKMLGAHIKSQBMD-UHFFFAOYSA-N 1 0 387.274 2.731 20 0 GFADRO O=C(c1cc(C(F)(F)F)cc(Cl)n1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000798173884 659078961 /nfs/dbraw/zinc/07/89/61/659078961.db2.gz JGZMWLISZWWIKP-NSHDSACASA-N 1 0 377.794 2.548 20 0 GFADRO CC(C)CS(=O)(=O)N1CCC([NH2+][C@@H]2COCc3cccc(Cl)c32)CC1 ZINC000798182052 659080122 /nfs/dbraw/zinc/08/01/22/659080122.db2.gz AAQKURJQLVYQGA-QGZVFWFLSA-N 1 0 386.945 2.951 20 0 GFADRO C[NH+](C)CC(C)(C)CNC(=S)NCc1ccncc1OCC(F)(F)F ZINC000798379743 659098327 /nfs/dbraw/zinc/09/83/27/659098327.db2.gz CLNYYZVSVYCXKJ-UHFFFAOYSA-N 1 0 378.464 2.575 20 0 GFADRO C[NH+]1CCC2(CCCN(C(=O)c3[nH]nc(C4CC4)c3Br)C2)CC1 ZINC000799031864 659161239 /nfs/dbraw/zinc/16/12/39/659161239.db2.gz VPZGNYLJJWNHLH-UHFFFAOYSA-N 1 0 381.318 2.998 20 0 GFADRO C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCN2Cn2cc(I)cn2)C1 ZINC000799157165 659168868 /nfs/dbraw/zinc/16/88/68/659168868.db2.gz POUIPNNAAQJZRV-BEAPCOKYSA-N 1 0 389.281 2.707 20 0 GFADRO C[C@@H](CNC(=O)NC[C@H](O)c1cccc(Br)c1)C[NH+]1CCCC1 ZINC000799939641 659247605 /nfs/dbraw/zinc/24/76/05/659247605.db2.gz MYUFIEQYMHIQNN-BBRMVZONSA-N 1 0 384.318 2.514 20 0 GFADRO CC[NH+](CC)CCCOC(=O)c1ccc(S(C)(=O)=O)c(Br)c1 ZINC000800192726 659289009 /nfs/dbraw/zinc/28/90/09/659289009.db2.gz FSCMRAAOWCZQHA-UHFFFAOYSA-N 1 0 392.315 2.741 20 0 GFADRO Cc1nn(C)c(Br)c1C(=O)N(CC[NH+](C)C)Cc1cccc(F)c1 ZINC000801140954 659370932 /nfs/dbraw/zinc/37/09/32/659370932.db2.gz DVQMYFCYDDRFGR-UHFFFAOYSA-N 1 0 397.292 2.834 20 0 GFADRO Cc1nn(C)c(Br)c1C(=O)N(CC[NH+](C)C)Cc1ccccc1F ZINC000801139391 659371012 /nfs/dbraw/zinc/37/10/12/659371012.db2.gz DWSGMWMJAHRBQL-UHFFFAOYSA-N 1 0 397.292 2.834 20 0 GFADRO O=C(Nc1ncc(C(F)(F)F)s1)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000801751108 659422633 /nfs/dbraw/zinc/42/26/33/659422633.db2.gz MUSVEKFZCQIQIH-LLVKDONJSA-N 1 0 378.420 2.927 20 0 GFADRO C[C@H](CCNS(=O)(=O)c1ccccc1)[NH2+][C@@H]1CC[C@@H]2SCCS[C@H]12 ZINC000802660274 659493542 /nfs/dbraw/zinc/49/35/42/659493542.db2.gz GXCLUWNZDBLXNG-MXASKKJJSA-N 1 0 386.608 2.713 20 0 GFADRO O=C1c2cccc(Br)c2CN1CN1CC[NH+](C2CCCC2)CC1 ZINC000802726519 659497240 /nfs/dbraw/zinc/49/72/40/659497240.db2.gz XMWTXNPINDHRJQ-UHFFFAOYSA-N 1 0 378.314 2.923 20 0 GFADRO COc1ccc([C@H](C[NH+](C)C)NC(=O)c2nc(Br)cs2)cc1 ZINC000803810561 659606418 /nfs/dbraw/zinc/60/64/18/659606418.db2.gz GXTZNHFOGMGVTP-LBPRGKRZSA-N 1 0 384.299 2.947 20 0 GFADRO C[C@H](CC(=O)c1cccc(Br)c1)C(=O)N[C@@H]1CCc2cncn2C1 ZINC000804334011 659635325 /nfs/dbraw/zinc/63/53/25/659635325.db2.gz VVEAYGDGTABYAS-IUODEOHRSA-N 1 0 390.281 2.986 20 0 GFADRO COc1ccc(C(=O)N2CC([N@H+](C)Cc3ccccc3)C2)nc1Br ZINC000804533041 659653915 /nfs/dbraw/zinc/65/39/15/659653915.db2.gz SXCORFGZQQMLQG-UHFFFAOYSA-N 1 0 390.281 2.809 20 0 GFADRO CCC[N@@H+]1CCC[C@H]1CNC(=O)c1cn(-c2ccccc2Br)nn1 ZINC000804778303 659682765 /nfs/dbraw/zinc/68/27/65/659682765.db2.gz RUIZQUDDKZRZJN-ZDUSSCGKSA-N 1 0 392.301 2.634 20 0 GFADRO C[C@H](NS(=O)(=O)c1cnc(Cl)c(F)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000805058431 659729567 /nfs/dbraw/zinc/72/95/67/659729567.db2.gz SMZKOSCCISXRAE-NWDGAFQWSA-N 1 0 375.897 2.805 20 0 GFADRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)[C@@H]1Cc2cc(Br)ccc2O1 ZINC000805334200 659766860 /nfs/dbraw/zinc/76/68/60/659766860.db2.gz WAMOKSCPYULIHO-PVUWLOKVSA-N 1 0 379.298 2.838 20 0 GFADRO CNC(=O)OC[C@@H]1CCCC[N@@H+]1C[C@@H](O)COc1ccc(Cl)cc1Cl ZINC000805824795 659807863 /nfs/dbraw/zinc/80/78/63/659807863.db2.gz FRYAGZRYFWDMLC-UONOGXRCSA-N 1 0 391.295 2.944 20 0 GFADRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1Cn1c(=O)oc2cccc(Br)c21 ZINC000808190092 659880839 /nfs/dbraw/zinc/88/08/39/659880839.db2.gz CAXQNVLYZFSWQP-GXTWGEPZSA-N 1 0 380.286 2.873 20 0 GFADRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1CN1Cc2cccc(Br)c2C1=O ZINC000808194393 659881524 /nfs/dbraw/zinc/88/15/24/659881524.db2.gz YBGYTUKKPCXDSD-CJNGLKHVSA-N 1 0 378.314 2.921 20 0 GFADRO O=C(/C=C\c1cc(C(F)(F)F)ccc1Cl)N[C@@H](CO)C[NH+]1CCCC1 ZINC000808221490 659882805 /nfs/dbraw/zinc/88/28/05/659882805.db2.gz QWUZXVVPUHINLD-JHAQOBCDSA-N 1 0 376.806 2.945 20 0 GFADRO C[NH+](C)CCCOc1cnccc1CNC(=S)NCCc1cccs1 ZINC000809162807 659918713 /nfs/dbraw/zinc/91/87/13/659918713.db2.gz RGBUDBXSXKGTRL-UHFFFAOYSA-N 1 0 378.567 2.680 20 0 GFADRO Brc1c(CN2CCC[N@H+](C[C@H]3CCCO3)CC2)nc2ccccn12 ZINC000809545155 659931631 /nfs/dbraw/zinc/93/16/31/659931631.db2.gz YFJWLYDGSXRTEB-OAHLLOKOSA-N 1 0 393.329 2.784 20 0 GFADRO Brc1c(C[NH2+][C@H]2CCOC3(CCOCC3)C2)nc2ccccn21 ZINC000809626949 659934371 /nfs/dbraw/zinc/93/43/71/659934371.db2.gz MSQNDQYYWGHDLV-ZDUSSCGKSA-N 1 0 380.286 2.915 20 0 GFADRO CC(C)(C)OC(=O)N1CC[C@](C)(C[NH2+]CCn2cc(Br)cn2)C1 ZINC000809710020 659936870 /nfs/dbraw/zinc/93/68/70/659936870.db2.gz LQWGNSXFYOPYKR-MRXNPFEDSA-N 1 0 387.322 2.882 20 0 GFADRO COc1cccc(CN(CC[NH+](C)C)Cc2cc(Br)nn2C)c1 ZINC000809753145 659938138 /nfs/dbraw/zinc/93/81/38/659938138.db2.gz ZDSOYTHYDNJFPT-UHFFFAOYSA-N 1 0 381.318 2.755 20 0 GFADRO CCCC[N@H+](C)C[C@@H](C)NS(=O)(=O)c1ccc(Cl)c(C(=O)OC)c1 ZINC000809860553 659950491 /nfs/dbraw/zinc/95/04/91/659950491.db2.gz RCTDQPMWWWBIRN-GFCCVEGCSA-N 1 0 376.906 2.525 20 0 GFADRO C[C@H](C(=O)NC1CC1)[N@@H+]1CCC[C@@H]([C@@H](O)c2ccc(Br)cc2)C1 ZINC000810047985 659957756 /nfs/dbraw/zinc/95/77/56/659957756.db2.gz RHZRCLNXIRNZQQ-MRRJBJDNSA-N 1 0 381.314 2.862 20 0 GFADRO CC[NH+](CC)CCS(=O)(=O)Oc1cc(F)c(Br)cc1C(C)=O ZINC000810058137 659958482 /nfs/dbraw/zinc/95/84/82/659958482.db2.gz KWFKWUXDPRVHFM-UHFFFAOYSA-N 1 0 396.278 2.841 20 0 GFADRO COC[C@@H]([NH2+]CCNS(=O)(=O)Cc1ccccc1)c1cccc(Cl)c1 ZINC000810211143 659966381 /nfs/dbraw/zinc/96/63/81/659966381.db2.gz NTCDVJXKTZBYGV-GOSISDBHSA-N 1 0 382.913 2.737 20 0 GFADRO C[C@@H]1CCC[N@@H+]1CCNC(=O)C1(c2cccc(Br)c2)CC(=O)C1 ZINC000811171294 660003392 /nfs/dbraw/zinc/00/33/92/660003392.db2.gz WLSIZEXJEHOQNF-CYBMUJFWSA-N 1 0 379.298 2.650 20 0 GFADRO CC(C)(C)OC(=O)NC[C@@](C)(O)C[NH2+]Cc1csc(Br)c1 ZINC000811811718 660015871 /nfs/dbraw/zinc/01/58/71/660015871.db2.gz DYJAKTCEXAQSMC-AWEZNQCLSA-N 1 0 379.320 2.876 20 0 GFADRO CCCC[C@@H]1NC(=O)N(CN(C)CCc2cccc(Br)c2)C1=O ZINC000812302762 660023133 /nfs/dbraw/zinc/02/31/33/660023133.db2.gz YCKNOMVVDLXXMS-HNNXBMFYSA-N 1 0 382.302 2.992 20 0 GFADRO O=S(=O)(NC1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccc(C(F)(F)F)s1 ZINC000812500102 660027951 /nfs/dbraw/zinc/02/79/51/660027951.db2.gz RJLUJTIDEIVJMV-LBPRGKRZSA-N 1 0 398.472 2.689 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2nc(C3CC3)ncc2Br)[C@H](C)C1 ZINC000813814595 660065353 /nfs/dbraw/zinc/06/53/53/660065353.db2.gz SALIBJIUKYJVIC-RISCZKNCSA-N 1 0 381.318 2.919 20 0 GFADRO NS(=O)(=O)c1ccc(CC[N@@H+]2CC[C@@H](Oc3ccc(Cl)cc3)C2)cc1 ZINC000815208567 660116711 /nfs/dbraw/zinc/11/67/11/660116711.db2.gz UHXXBAUMEWNZLA-QGZVFWFLSA-N 1 0 380.897 2.683 20 0 GFADRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)c1cn2c(Br)cnc2s1 ZINC000815890102 660134207 /nfs/dbraw/zinc/13/42/07/660134207.db2.gz XFMGAKMZELTFKA-JTQLQIEISA-N 1 0 385.331 2.961 20 0 GFADRO Nc1nc(N2CCC[C@H](OC(=O)Cc3cscc3Br)C2)cc[nH+]1 ZINC000816055247 660141593 /nfs/dbraw/zinc/14/15/93/660141593.db2.gz BBSGIRXCMYNBAJ-NSHDSACASA-N 1 0 397.298 2.638 20 0 GFADRO CN(CCC[N@H+](C)Cc1ccncc1)C(=O)c1cccnc1Br ZINC000816641522 660163710 /nfs/dbraw/zinc/16/37/10/660163710.db2.gz UUEFMOCUKVLDGV-UHFFFAOYSA-N 1 0 377.286 2.833 20 0 GFADRO C[NH+]1CCN(c2cc(CNC(=O)c3nc(Cl)sc3Cl)ccn2)CC1 ZINC000816886005 660171234 /nfs/dbraw/zinc/17/12/34/660171234.db2.gz NHHGKMKVXWLQTQ-UHFFFAOYSA-N 1 0 386.308 2.527 20 0 GFADRO O=C(NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1snc(Cl)c1Cl ZINC000816967783 660175026 /nfs/dbraw/zinc/17/50/26/660175026.db2.gz XFEIZDMQXMGAAN-GFCCVEGCSA-N 1 0 386.304 2.947 20 0 GFADRO Fc1ccc(C[NH2+]CCCNc2ncccn2)c(I)c1 ZINC000841856636 661316471 /nfs/dbraw/zinc/31/64/71/661316471.db2.gz YRBCTANKNSOWIY-UHFFFAOYSA-N 1 0 386.212 2.812 20 0 GFADRO O=C(NCCSCc1ccnc(Cl)c1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000841875238 661316731 /nfs/dbraw/zinc/31/67/31/661316731.db2.gz NQNCMZJUMCHDON-MRXNPFEDSA-N 1 0 382.961 2.999 20 0 GFADRO COc1cc(Br)ccc1CNC(=O)NCc1ccc(CC[NH3+])cc1 ZINC000841884441 661317065 /nfs/dbraw/zinc/31/70/65/661317065.db2.gz MOVYWHNGAGJSNG-UHFFFAOYSA-N 1 0 392.297 2.958 20 0 GFADRO O=C(NC[C@H]1CCCC[NH2+]1)N1CCO[C@@H](c2ccccc2Br)C1 ZINC000841920433 661317793 /nfs/dbraw/zinc/31/77/93/661317793.db2.gz FKOZFMLOAMVVBC-CZUORRHYSA-N 1 0 382.302 2.674 20 0 GFADRO [NH3+]C[C@@H](NC(=O)NC[C@H](O)c1ccccc1Br)C1CCCCC1 ZINC000841939006 661317926 /nfs/dbraw/zinc/31/79/26/661317926.db2.gz KDXZWEXJSYZXNV-CVEARBPZSA-N 1 0 384.318 2.689 20 0 GFADRO C[C@@H](CN1C(=O)[C@H]2Cc3c(Br)cccc3CN2C1=O)[N@H+](C)C1CC1 ZINC000842240798 661329491 /nfs/dbraw/zinc/32/94/91/661329491.db2.gz VMIPGWTYBLIYGN-MEDUHNTESA-N 1 0 392.297 2.621 20 0 GFADRO [NH3+][C@@H]1CCO[C@@H](C2CCN(S(=O)(=O)/C=C\c3ccccc3Cl)CC2)C1 ZINC000842484653 661341768 /nfs/dbraw/zinc/34/17/68/661341768.db2.gz KIRREWGNHUICSY-FPNRTYGOSA-N 1 0 384.929 2.859 20 0 GFADRO C[NH2+]C[C@H](C)c1noc(-c2ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c2)n1 ZINC000842577631 661344151 /nfs/dbraw/zinc/34/41/51/661344151.db2.gz QJBNDQDANFNRRB-JTQLQIEISA-N 1 0 386.905 2.790 20 0 GFADRO COc1ccc(-c2nc([C@H]([NH3+])CC(C)C)no2)nc1I ZINC000842586259 661344618 /nfs/dbraw/zinc/34/46/18/661344618.db2.gz OISJDHZCZIMIMN-MRVPVSSYSA-N 1 0 388.209 2.791 20 0 GFADRO CCc1nncn1CC[NH2+]Cc1cc(OC(F)F)ccc1Br ZINC000842684905 661349115 /nfs/dbraw/zinc/34/91/15/661349115.db2.gz LZNAYAYTVFMUDK-UHFFFAOYSA-N 1 0 375.217 2.994 20 0 GFADRO [NH3+]CCCCCCNC(=O)C(=O)Nc1cccc(Br)c1Cl ZINC000843053054 661365626 /nfs/dbraw/zinc/36/56/26/661365626.db2.gz HBLOLNALMTWUFF-UHFFFAOYSA-N 1 0 376.682 2.676 20 0 GFADRO C[C@@H]([NH2+]CCS(=O)(=O)c1cccc(Br)c1)[C@H](O)c1ccccc1 ZINC000843064459 661365731 /nfs/dbraw/zinc/36/57/31/661365731.db2.gz YRKQWTDCFFOFAR-DYVFJYSZSA-N 1 0 398.322 2.935 20 0 GFADRO Cc1ccccc1[C@H](O)C[NH2+]C[C@@H](O)COc1cccc(Br)c1 ZINC000843073156 661366333 /nfs/dbraw/zinc/36/63/33/661366333.db2.gz GKWZLAUZXKJEML-CRAIPNDOSA-N 1 0 380.282 2.820 20 0 GFADRO OCC1([C@H]([NH2+]C[C@H](O)c2ccc(Br)cc2)C2CC2)CCOCC1 ZINC000843114363 661369152 /nfs/dbraw/zinc/36/91/52/661369152.db2.gz JNQPEYUIGWDCMP-DLBZAZTESA-N 1 0 384.314 2.640 20 0 GFADRO O=C(CC[NH2+][C@@H]1COc2ccccc2[C@@H]1O)Nc1ccc(Br)cc1 ZINC000843116702 661369592 /nfs/dbraw/zinc/36/95/92/661369592.db2.gz NQZLACMVMTZCNA-QAPCUYQASA-N 1 0 391.265 2.862 20 0 GFADRO C[C@@H](Cc1nc(CS(=O)(=O)c2ccc(Cl)cc2)no1)[C@@H]1CCC[NH2+]C1 ZINC000843196668 661371564 /nfs/dbraw/zinc/37/15/64/661371564.db2.gz IVTIYAAAXIJTKC-QWHCGFSZSA-N 1 0 383.901 2.875 20 0 GFADRO CN(C(=O)c1cc(=O)c2cc(Br)ccc2[nH]1)C1CCC([NH3+])CC1 ZINC000843354596 661378617 /nfs/dbraw/zinc/37/86/17/661378617.db2.gz LOBNFTPIFOWUML-UHFFFAOYSA-N 1 0 378.270 2.633 20 0 GFADRO O=C(CO[C@@H]1CCC[NH2+]C1)N[C@H]1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000843386188 661378982 /nfs/dbraw/zinc/37/89/82/661378982.db2.gz JDSBODPPSHRZBT-NOOOWODRSA-N 1 0 376.341 2.781 20 0 GFADRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1Cc1cc(Br)cnc1Cl ZINC000843405576 661379904 /nfs/dbraw/zinc/37/99/04/661379904.db2.gz ZRQRBQWNVXEWAU-NSHDSACASA-N 1 0 376.726 2.775 20 0 GFADRO C[C@@H]1C[C@H]([NH2+]Cc2ccc(S(C)(=O)=O)s2)CN(C(=O)OC(C)(C)C)C1 ZINC000843407041 661380081 /nfs/dbraw/zinc/38/00/81/661380081.db2.gz XSSSVMMRKHITKO-OLZOCXBDSA-N 1 0 388.555 2.887 20 0 GFADRO O=C(CO[C@@H]1CCC[NH2+]C1)NCCOc1c(Cl)cc(Cl)cc1Cl ZINC000843446612 661381664 /nfs/dbraw/zinc/38/16/64/661381664.db2.gz SXSCNDJPQCLKJO-LLVKDONJSA-N 1 0 381.687 2.910 20 0 GFADRO CCCN(C(=O)CCN1C(=S)N=NC1c1cccs1)[C@H]1CC[N@H+](C)C1 ZINC000844145788 661408039 /nfs/dbraw/zinc/40/80/39/661408039.db2.gz FGNRMUIWVQENKA-ZDUSSCGKSA-N 1 0 379.555 2.628 20 0 GFADRO CC(=O)Nc1ccc(OC[C@@H](O)C[NH2+]CCC[C@@H]2CC2(Cl)Cl)cc1 ZINC000844275964 661412303 /nfs/dbraw/zinc/41/23/03/661412303.db2.gz AFXJRXUQKODSJF-HIFRSBDPSA-N 1 0 375.296 2.948 20 0 GFADRO CCCS(=O)(=O)CC[N@@H+]1CCC[C@H](C)[C@@H]1CCNC(=O)OC(C)(C)C ZINC000844395069 661418503 /nfs/dbraw/zinc/41/85/03/661418503.db2.gz BFVCDQUYJRMTDE-HOTGVXAUSA-N 1 0 376.563 2.827 20 0 GFADRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2Cn2nc(-c3ccc(Cl)s3)ccc2=O)C1 ZINC000844696477 661434673 /nfs/dbraw/zinc/43/46/73/661434673.db2.gz DVOVECIXRGVGFK-DZGCQCFKSA-N 1 0 378.929 2.999 20 0 GFADRO CO[C@@H]1CC[N@H+](CN2CC(c3ccc(Br)cc3)=CC2=O)C[C@H]1C ZINC000844709086 661436531 /nfs/dbraw/zinc/43/65/31/661436531.db2.gz PUAWWJKUOUEXGM-CXAGYDPISA-N 1 0 379.298 2.989 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(Cc3nc4ccccn4c3Br)C2)C1 ZINC000844900950 661448330 /nfs/dbraw/zinc/44/83/30/661448330.db2.gz BZRQBXIQIJGSDY-LZWOXQAQSA-N 1 0 393.329 2.815 20 0 GFADRO O=C(NCCC[C@@H]1CC1(Cl)Cl)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000844998823 661452845 /nfs/dbraw/zinc/45/28/45/661452845.db2.gz JDEHDLUNDGHDID-UONOGXRCSA-N 1 0 378.344 2.761 20 0 GFADRO CCN1CC[NH+](C[C@H](C)CNC(=O)NCCC[C@@H]2CC2(Cl)Cl)CC1 ZINC000845011340 661453156 /nfs/dbraw/zinc/45/31/56/661453156.db2.gz OSVFYXCWAGXCMA-HUUCEWRRSA-N 1 0 379.376 2.533 20 0 GFADRO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)NCCC[C@@H]1CC1(Cl)Cl ZINC000845667355 661486336 /nfs/dbraw/zinc/48/63/36/661486336.db2.gz PIVKKMWFGQGOBR-CQSZACIVSA-N 1 0 379.376 2.628 20 0 GFADRO Cc1cc(Br)sc1S(=O)(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000846228395 661538864 /nfs/dbraw/zinc/53/88/64/661538864.db2.gz OFZXPNPVYUFBOK-CYBMUJFWSA-N 1 0 379.345 2.583 20 0 GFADRO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCCN2S(=O)(=O)Cc2cc(Cl)ccc2F)C1 ZINC000846235498 661539806 /nfs/dbraw/zinc/53/98/06/661539806.db2.gz XBIFWDMWUSVCLT-HYVNUMGLSA-N 1 0 390.908 2.670 20 0 GFADRO [NH3+]CCC1CCN(C(=O)C(=O)Nc2ccccc2SC(F)(F)F)CC1 ZINC000846324548 661545361 /nfs/dbraw/zinc/54/53/61/661545361.db2.gz ZMYTYRZFIMDWCV-UHFFFAOYSA-N 1 0 375.416 2.824 20 0 GFADRO CCN1C[C@H](C[NH2+][C@@](C)(CC(=O)OC)c2ccc(Br)cc2)OC1=O ZINC000846898283 661569455 /nfs/dbraw/zinc/56/94/55/661569455.db2.gz CZNUCZBAVKEXKH-YOEHRIQHSA-N 1 0 399.285 2.658 20 0 GFADRO C[C@H](CNC(=O)c1cnc(Br)c(Cl)c1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000847178383 661579502 /nfs/dbraw/zinc/57/95/02/661579502.db2.gz PHODVOQONNXTSW-MXWKQRLJSA-N 1 0 390.709 2.725 20 0 GFADRO O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)[C@H]1Cc2cc(Br)ccc2O1 ZINC000847257229 661584374 /nfs/dbraw/zinc/58/43/74/661584374.db2.gz VPSJCZYKNOYKFC-BFYDXBDKSA-N 1 0 379.298 2.886 20 0 GFADRO O=C(NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1nc(Cl)sc1Cl ZINC000847536453 661595933 /nfs/dbraw/zinc/59/59/33/661595933.db2.gz CWKUHHNMUXLQGF-INIZCTEOSA-N 1 0 386.304 2.817 20 0 GFADRO C[N@@H+]1CC[C@H](CCOC(=O)c2cc(I)ccc2F)C1 ZINC000847822787 661611872 /nfs/dbraw/zinc/61/18/72/661611872.db2.gz BDWIQMIQZGTJJG-SNVBAGLBSA-N 1 0 377.197 2.929 20 0 GFADRO CC(=O)c1cc(Br)ccc1OCC(=O)OCC[C@H]1CC[N@@H+](C)C1 ZINC000847819751 661611888 /nfs/dbraw/zinc/61/18/88/661611888.db2.gz MTBQGIXFBZCBAW-CYBMUJFWSA-N 1 0 384.270 2.916 20 0 GFADRO C[NH+](C)CCn1ccc(C(=O)NCC[C@@H](O)c2ccc(Cl)c(Cl)c2)n1 ZINC000847908855 661616299 /nfs/dbraw/zinc/61/62/99/661616299.db2.gz KNFDOAVZKQPALX-MRXNPFEDSA-N 1 0 385.295 2.605 20 0 GFADRO C[C@@H]1C[N@H+](CCCNC(=O)c2cnc(Cl)c(Br)c2)CCCO1 ZINC000847920049 661616514 /nfs/dbraw/zinc/61/65/14/661616514.db2.gz BJUNXQXOHLQGSQ-LLVKDONJSA-N 1 0 390.709 2.728 20 0 GFADRO Cc1ccc(-n2nc(Br)cc2C(=O)N[C@H](C[NH3+])C(F)(F)F)cc1 ZINC000848437840 661647873 /nfs/dbraw/zinc/64/78/73/661647873.db2.gz DNTOUCRJWWCPMT-LLVKDONJSA-N 1 0 391.191 2.563 20 0 GFADRO CCOc1c(Br)cc(C[NH2+]C[C@H]2CN(C3CC3)C(=O)O2)cc1OC ZINC000848577550 661665796 /nfs/dbraw/zinc/66/57/96/661665796.db2.gz GLEAXAKKWAFZEC-ZDUSSCGKSA-N 1 0 399.285 2.929 20 0 GFADRO Cc1csc(-c2ccc(S(=O)(=O)N3CCC4(C3)CC[NH2+]CC4)cc2)n1 ZINC000848600868 661667283 /nfs/dbraw/zinc/66/72/83/661667283.db2.gz WMNQKVHQOWKRCB-UHFFFAOYSA-N 1 0 377.535 2.883 20 0 GFADRO [NH3+]CC12CCC(CC1)CN2S(=O)(=O)/C=C\c1ccc(Br)cc1 ZINC000848602010 661667632 /nfs/dbraw/zinc/66/76/32/661667632.db2.gz OSUWNDSOYQZFTR-YFHOEESVSA-N 1 0 385.327 2.953 20 0 GFADRO [NH2+]=C(NC[C@H](CO)Cc1cc(Br)ccc1F)Nc1ccccn1 ZINC000849115032 661692902 /nfs/dbraw/zinc/69/29/02/661692902.db2.gz BWNGOPIWKBGXGZ-LLVKDONJSA-N 1 0 381.249 2.771 20 0 GFADRO COc1ccc(C[C@@H](CO)CNC(=[NH2+])NCC2CCC2)cc1Br ZINC000849115287 661693344 /nfs/dbraw/zinc/69/33/44/661693344.db2.gz NMDMKLFZEYBDAB-CQSZACIVSA-N 1 0 384.318 2.523 20 0 GFADRO C[NH+](C)CCCNC(=S)N1CCN(c2ccc(Cl)cc2Cl)CC1 ZINC000849279812 661702279 /nfs/dbraw/zinc/70/22/79/661702279.db2.gz IEFCMVQPQFDDEE-UHFFFAOYSA-N 1 0 375.369 2.942 20 0 GFADRO C[NH+]1CCC(NC(=S)N2CCN(c3ccc(Br)cc3)CC2)CC1 ZINC000849289367 661703801 /nfs/dbraw/zinc/70/38/01/661703801.db2.gz MHSJKANTUZKNER-UHFFFAOYSA-N 1 0 397.386 2.540 20 0 GFADRO O[C@@H](C[NH2+]C[C@]12OCCC[C@H]1C2(F)F)COc1ccc(Br)cc1 ZINC000849330526 661706177 /nfs/dbraw/zinc/70/61/77/661706177.db2.gz UOARNWBUDWIOCQ-CFVMTHIKSA-N 1 0 392.240 2.593 20 0 GFADRO O=C1N[C@H](c2ccccc2Br)C(=O)N1[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000849351519 661708186 /nfs/dbraw/zinc/70/81/86/661708186.db2.gz HTXGIZVVTPECEV-QLFBSQMISA-N 1 0 378.270 2.669 20 0 GFADRO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NCc2cc(Br)nn2C)cc1F ZINC000849350158 661708380 /nfs/dbraw/zinc/70/83/80/661708380.db2.gz SJMOYLJFTHVHEW-ZFWWWQNUSA-N 1 0 397.292 2.566 20 0 GFADRO CC[NH+]1CCC(CN2C(=O)N[C@@H](c3ccccc3Br)C2=O)CC1 ZINC000849353504 661708929 /nfs/dbraw/zinc/70/89/29/661708929.db2.gz DMRRJCFDTMQIKE-HNNXBMFYSA-N 1 0 380.286 2.774 20 0 GFADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@H]2C(=O)NCc2ccsc2Br)cn1 ZINC000849587137 661734874 /nfs/dbraw/zinc/73/48/74/661734874.db2.gz KVRXFHJDFCFYIG-KGLIPLIRSA-N 1 0 397.342 2.596 20 0 GFADRO O=[S@@](CC[NH2+]Cc1c(Cl)cccc1N1CCOCC1)CC(F)(F)F ZINC000850348221 661770866 /nfs/dbraw/zinc/77/08/66/661770866.db2.gz HUAWUCPGXVTTLE-DEOSSOPVSA-N 1 0 384.851 2.577 20 0 GFADRO Cn1c2ccc(C(F)(F)F)cc2nc1C[NH2+]CC[S@@](=O)CC(F)(F)F ZINC000850348844 661771096 /nfs/dbraw/zinc/77/10/96/661771096.db2.gz VXGAHXQHDZVFFM-RUZDIDTESA-N 1 0 387.349 2.993 20 0 GFADRO Cc1nn(-c2ccccn2)c(Cl)c1C[NH2+]CC[S@@](=O)CC(F)(F)F ZINC000850351332 661771353 /nfs/dbraw/zinc/77/13/53/661771353.db2.gz ZPOSNEKXTPJDPH-XMMPIXPASA-N 1 0 380.823 2.630 20 0 GFADRO CCOc1c(Cl)cc(C[NH2+]CCS(=O)(=O)CC(F)(F)F)cc1OC ZINC000850364236 661772449 /nfs/dbraw/zinc/77/24/49/661772449.db2.gz VTADZWCFASFMPP-UHFFFAOYSA-N 1 0 389.823 2.814 20 0 GFADRO CON(C)CC[NH2+][C@H](c1ccc(Cl)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000850479782 661778138 /nfs/dbraw/zinc/77/81/38/661778138.db2.gz ZDSDYBOJVWODPN-GOSISDBHSA-N 1 0 382.913 2.916 20 0 GFADRO CCOC(=O)[C@H]1[C@H]([NH2+]CCC2SCCS2)CCN1C(=O)OC(C)(C)C ZINC000850568618 661781791 /nfs/dbraw/zinc/78/17/91/661781791.db2.gz CPGOVZZFFWNEIH-TZMCWYRMSA-N 1 0 390.571 2.713 20 0 GFADRO [NH3+]C1CC2(C1)CC(NS(=O)(=O)c1cc(Cl)cc(Br)c1)C2 ZINC000850587001 661782122 /nfs/dbraw/zinc/78/21/22/661782122.db2.gz KSTHGOHZJVBRED-UHFFFAOYSA-N 1 0 379.707 2.651 20 0 GFADRO O=S(=O)(c1ccc(Cl)nc1Cl)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000850588571 661782402 /nfs/dbraw/zinc/78/24/02/661782402.db2.gz AOANVRBAZJTGDC-GFCCVEGCSA-N 1 0 378.325 2.789 20 0 GFADRO Cc1ccc(S(=O)(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)c(Cl)n1 ZINC000850590280 661782847 /nfs/dbraw/zinc/78/28/47/661782847.db2.gz BHHIDFBRAVNHQC-HUUCEWRRSA-N 1 0 383.876 2.607 20 0 GFADRO C[C@@H]1CCCN(S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)[C@@H]1CCC[NH3+] ZINC000850591107 661782880 /nfs/dbraw/zinc/78/28/80/661782880.db2.gz KJXRGKUCFONKJB-RKDXNWHRSA-N 1 0 386.386 2.910 20 0 GFADRO CC1(C)CN(C(=O)C(=O)NCCCCCC[NH3+])c2cc(Br)ccc21 ZINC000850826863 661792189 /nfs/dbraw/zinc/79/21/89/661792189.db2.gz SBNAVGTXNXGBKI-UHFFFAOYSA-N 1 0 396.329 2.709 20 0 GFADRO CC(C)(C)n1ncc(C(=O)N2C[C@@H]([NH3+])Cc3ccccc32)c1Br ZINC000851642417 661827712 /nfs/dbraw/zinc/82/77/12/661827712.db2.gz UXRQIKDCHMGTQV-LBPRGKRZSA-N 1 0 377.286 2.931 20 0 GFADRO CC[NH2+]CCCNC(=O)N1CC[C@@]2(C)[C@@H](C1)C2(Br)Br ZINC000851661530 661827721 /nfs/dbraw/zinc/82/77/21/661827721.db2.gz KIGYJIRSPJCRES-PWSUYJOCSA-N 1 0 397.155 2.524 20 0 GFADRO CO[C@@H]1CC[C@H]([NH+]2CCN(CC(=O)Nc3ccc(Br)cc3)CC2)C1 ZINC000851816710 661834110 /nfs/dbraw/zinc/83/41/10/661834110.db2.gz WCEVTWPJQLLAIA-DLBZAZTESA-N 1 0 396.329 2.573 20 0 GFADRO C[N@H+](CCCNC(=O)N1CCn2ncc(Br)c2C1)C1CCCCC1 ZINC000851936452 661846436 /nfs/dbraw/zinc/84/64/36/661846436.db2.gz NEUHVQXKMZOQHA-UHFFFAOYSA-N 1 0 398.349 2.825 20 0 GFADRO CCOP(=O)(OCC)[C@@H](O)C[NH+]1CCC(Oc2ccc(F)nc2)CC1 ZINC000851979888 661847729 /nfs/dbraw/zinc/84/77/29/661847729.db2.gz LTYPJYCKFKVXFN-MRXNPFEDSA-N 1 0 376.365 2.648 20 0 GFADRO O=C1CC[C@@H](C[N@H+]2CC[C@@H](Cc3cccc(I)c3)C2)O1 ZINC000852112260 661853068 /nfs/dbraw/zinc/85/30/68/661853068.db2.gz OPTWIPMBLHTQFJ-ZFWWWQNUSA-N 1 0 385.245 2.861 20 0 GFADRO C[NH+](C)CC[C@@H](NC(=O)N1CCn2ncc(Br)c2C1)C(C)(C)C ZINC000852117097 661853285 /nfs/dbraw/zinc/85/32/85/661853285.db2.gz WHXXJBOHPCMKPM-CQSZACIVSA-N 1 0 386.338 2.537 20 0 GFADRO C[N@H+](C[C@H](O)c1cccc(Br)c1)[C@@H]1C[C@H]2CCCC[C@@H]2NC1=O ZINC000852171717 661855655 /nfs/dbraw/zinc/85/56/55/661855655.db2.gz LPNGHBBDLXAQCC-ZFVVBOAOSA-N 1 0 381.314 2.862 20 0 GFADRO COC(=O)[C@@H]1C[N@H+](CCOC(F)F)C[C@H]1c1ccc(Br)cc1 ZINC000852189775 661856069 /nfs/dbraw/zinc/85/60/69/661856069.db2.gz BGPWWCYXPALWSP-QWHCGFSZSA-N 1 0 378.213 2.877 20 0 GFADRO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)NC[C@@H](O)c1cccc(Br)c1 ZINC000852602755 661867639 /nfs/dbraw/zinc/86/76/39/661867639.db2.gz PNIPEUSWJIONPD-RHSMWYFYSA-N 1 0 398.345 2.902 20 0 GFADRO C[C@@]1(C(=O)NC[C@H]([NH3+])c2ccccc2)CC1(Br)Br ZINC000852796434 661874548 /nfs/dbraw/zinc/87/45/48/661874548.db2.gz SCDPODTTZBHJAJ-JQWIXIFHSA-N 1 0 376.092 2.699 20 0 GFADRO C[C@H]1CCCN(C(=O)c2cnn(-c3ccccc3)c2Br)[C@@H]1C[NH3+] ZINC000852798580 661874710 /nfs/dbraw/zinc/87/47/10/661874710.db2.gz LWYDRNCSHSMXRD-SWLSCSKDSA-N 1 0 377.286 2.834 20 0 GFADRO [NH3+]C[C@@H]1CC(C(=O)Nc2ncc(Cc3cccc(Br)c3)s2)=NO1 ZINC000852824589 661875222 /nfs/dbraw/zinc/87/52/22/661875222.db2.gz ZAAMFGNEQGWMMA-NSHDSACASA-N 1 0 395.282 2.539 20 0 GFADRO CC(C)(C)n1ncc(C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)c1Br ZINC000852830288 661875376 /nfs/dbraw/zinc/87/53/76/661875376.db2.gz SQRNNXQASMDDHX-LSDHHAIUSA-N 1 0 391.313 2.968 20 0 GFADRO CC(C)(CNC(=O)[C@@H]1CCO[C@@H]1C[NH3+])Sc1ccc(Br)cc1 ZINC000852848655 661875777 /nfs/dbraw/zinc/87/57/77/661875777.db2.gz ORUWTJGKSMBAGA-ZIAGYGMSSA-N 1 0 387.343 2.800 20 0 GFADRO Cc1nn(C)c(Br)c1C(=O)Nc1ncc(C2CC[NH2+]CC2)s1 ZINC000852889452 661876479 /nfs/dbraw/zinc/87/64/79/661876479.db2.gz DFZIXALBIBBBKH-UHFFFAOYSA-N 1 0 384.303 2.667 20 0 GFADRO [NH3+]C[C@@H]1CC(C(=O)NCC2(c3cc(C(F)(F)F)ccc3Cl)CC2)=NO1 ZINC000852890115 661876512 /nfs/dbraw/zinc/87/65/12/661876512.db2.gz MXQBNLABPLVFBZ-JTQLQIEISA-N 1 0 375.778 2.610 20 0 GFADRO O=C(c1sccc1S(=O)(=O)C(F)F)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000852898805 661876640 /nfs/dbraw/zinc/87/66/40/661876640.db2.gz OOYAUHSJGKOJFI-GFCCVEGCSA-N 1 0 392.493 2.596 20 0 GFADRO CN([C@@H](C[NH3+])C(F)(F)F)S(=O)(=O)/C=C/c1ccccc1Br ZINC000853080712 661881649 /nfs/dbraw/zinc/88/16/49/661881649.db2.gz DKWYJGHNJSDVJN-MLRMMBSGSA-N 1 0 387.221 2.571 20 0 GFADRO CN([C@@H](C[NH3+])C(F)(F)F)S(=O)(=O)/C=C\c1cccc(Br)c1 ZINC000853081831 661881662 /nfs/dbraw/zinc/88/16/62/661881662.db2.gz WUUOFFLXXDCCSC-GZTOBOFZSA-N 1 0 387.221 2.571 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CC[NH2+]C[C@@H](O)c1ccccn1 ZINC000853098049 661882373 /nfs/dbraw/zinc/88/23/73/661882373.db2.gz KKOLHPGHHPAYFE-MRXNPFEDSA-N 1 0 378.270 2.804 20 0 GFADRO Cc1cc(N2CC[C@H]([NH2+]C[C@@H](O)c3ccccn3)C2=O)ccc1Br ZINC000853105768 661882553 /nfs/dbraw/zinc/88/25/53/661882553.db2.gz WQIYXBKSUGISMG-DLBZAZTESA-N 1 0 390.281 2.581 20 0 GFADRO CC(C)(C)OC(=O)NCC[C@@H](O)C[NH2+]C[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC000853117530 661882837 /nfs/dbraw/zinc/88/28/37/661882837.db2.gz WHRGLXXITSBTHP-IUODEOHRSA-N 1 0 393.311 2.892 20 0 GFADRO CS(=O)(=O)c1ccc([C@@H](O)C[NH2+]CCc2nsc3ccccc32)cc1 ZINC000853120279 661882880 /nfs/dbraw/zinc/88/28/80/661882880.db2.gz UOAXOSKAFPOIQT-KRWDZBQOSA-N 1 0 376.503 2.566 20 0 GFADRO OC1CC[NH+](CCCNc2cc(Br)cnc2Br)CC1 ZINC000853202250 661885130 /nfs/dbraw/zinc/88/51/30/661885130.db2.gz NSRUCBFGKOCXOJ-UHFFFAOYSA-N 1 0 393.123 2.865 20 0 GFADRO O=C(NCCC[NH+]1CCCCC1)N1CC(O)(c2ccc(Br)cc2)C1 ZINC000853247241 661886098 /nfs/dbraw/zinc/88/60/98/661886098.db2.gz ISLGJUIKGAXGSJ-UHFFFAOYSA-N 1 0 396.329 2.538 20 0 GFADRO C[NH+]1CCN(C[C@@H](Nc2ncnc(F)c2Br)c2ccccc2)CC1 ZINC000853262289 661886534 /nfs/dbraw/zinc/88/65/34/661886534.db2.gz OWQMBNLVZFOFFA-CQSZACIVSA-N 1 0 394.292 2.779 20 0 GFADRO CS(=O)(=O)CCN1CCC(Nc2ccnc3c(F)cc(Cl)cc23)CC1 ZINC000853308872 661887294 /nfs/dbraw/zinc/88/72/94/661887294.db2.gz ZDZSICOZZPCUOM-UHFFFAOYSA-N 1 0 385.892 2.948 20 0 GFADRO C[N@H+](CCc1ccccc1)[C@@H]1CCN(Cn2ncc(Cl)c(Cl)c2=O)C1 ZINC000853559849 661892534 /nfs/dbraw/zinc/89/25/34/661892534.db2.gz JDVRVFCCNBQRGC-OAHLLOKOSA-N 1 0 381.307 2.756 20 0 GFADRO O=C1[C@H](c2cccc(Br)c2)CCN1C[N@@H+]1CC[C@@H]2COC[C@H]2C1 ZINC000853588520 661893739 /nfs/dbraw/zinc/89/37/39/661893739.db2.gz DYEKHPSVWBQGDB-INMHGKMJSA-N 1 0 379.298 2.691 20 0 GFADRO C[NH+](C)CCC[C@@H]1CN(Cn2ncc3c2cccc3Br)CCO1 ZINC000853625155 661895496 /nfs/dbraw/zinc/89/54/96/661895496.db2.gz PWYICGNHPNYGBQ-CQSZACIVSA-N 1 0 381.318 2.799 20 0 GFADRO COc1ccc(Br)cc1-c1noc(-c2c[nH]nc2[C@H]2CC[NH2+]C2)n1 ZINC000854145284 661916109 /nfs/dbraw/zinc/91/61/09/661916109.db2.gz FOGCMMCDUYBJNX-VIFPVBQESA-N 1 0 390.241 2.975 20 0 GFADRO CC(C)[C@@H](c1noc(-c2cn(CC[NH3+])nn2)n1)c1ccc(Br)cc1 ZINC000854147420 661916611 /nfs/dbraw/zinc/91/66/11/661916611.db2.gz GSLAYFMEKURCKM-CQSZACIVSA-N 1 0 391.273 2.837 20 0 GFADRO CCN(C(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1)[C@H]1CC[N@H+](CC)C1 ZINC000854215946 661919156 /nfs/dbraw/zinc/91/91/56/661919156.db2.gz PXOPJYCEFVTYTG-ZDUSSCGKSA-N 1 0 375.441 2.631 20 0 GFADRO CC(C)(CNC(=O)c1csc(I)n1)[NH+]1CCCCC1 ZINC000854247740 661921111 /nfs/dbraw/zinc/92/11/11/661921111.db2.gz HXKFPBKMKHQELJ-UHFFFAOYSA-N 1 0 393.294 2.742 20 0 GFADRO CN(C[C@H](O)c1cccc(Br)c1)C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000854312890 661924017 /nfs/dbraw/zinc/92/40/17/661924017.db2.gz HGBMBZMIFINYSI-HOTGVXAUSA-N 1 0 398.345 2.997 20 0 GFADRO O=C(NCCn1cc(Br)cn1)[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000854440724 661933452 /nfs/dbraw/zinc/93/34/52/661933452.db2.gz UVSPUHLWRLZGHQ-KRWDZBQOSA-N 1 0 391.313 2.641 20 0 GFADRO CCCC[N@H+](C)C[C@H](C)NC(=O)c1csc(I)n1 ZINC000854493807 661936932 /nfs/dbraw/zinc/93/69/32/661936932.db2.gz HVSSVUBXFUMVON-VIFPVBQESA-N 1 0 381.283 2.598 20 0 GFADRO C[N@@H+]1CCC[C@@H](CCNC(=O)[C@@]2(C)CC2(Br)Br)C1 ZINC000854912984 661960839 /nfs/dbraw/zinc/96/08/39/661960839.db2.gz LIJWNSCRCWMUHU-CMPLNLGQSA-N 1 0 382.140 2.731 20 0 GFADRO Cc1nc(SC(F)F)sc1CC(=O)N1CCOC[C@@H]1[C@H]1CCC[N@H+]1C ZINC000854643618 661945154 /nfs/dbraw/zinc/94/51/54/661945154.db2.gz UHCUAFFWKYAXGA-VXGBXAGGSA-N 1 0 391.509 2.630 20 0 GFADRO Cc1nc(SCC(C)C)sc1CC(=O)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000854742524 661952751 /nfs/dbraw/zinc/95/27/51/661952751.db2.gz DUZVKVYEEFHDMR-HNNXBMFYSA-N 1 0 385.599 2.705 20 0 GFADRO C[NH+](C)C1(C(=O)N2CC[C@@]3(C)[C@@H](C2)C3(Br)Br)CCC1 ZINC000855323553 661984975 /nfs/dbraw/zinc/98/49/75/661984975.db2.gz HMLJOGNXVUOTMN-PWSUYJOCSA-N 1 0 394.151 2.825 20 0 GFADRO CN(CCC[NH+](C)C)CCNC(=O)C(F)(F)c1ccc(Br)cc1 ZINC000855415363 661991337 /nfs/dbraw/zinc/99/13/37/661991337.db2.gz WIOMMOUNNCUNKR-UHFFFAOYSA-N 1 0 392.288 2.541 20 0 GFADRO O=C(NCC1CC[NH+](Cc2ccncc2)CC1)c1ccc(Br)nc1 ZINC000855527901 661996680 /nfs/dbraw/zinc/99/66/80/661996680.db2.gz SUUBKCUHEZPKMY-UHFFFAOYSA-N 1 0 389.297 2.881 20 0 GFADRO COC(=O)[C@H](NC(=O)C1CC[NH+](C2CC2)CC1)c1ccccc1Br ZINC000855698899 662004765 /nfs/dbraw/zinc/00/47/65/662004765.db2.gz VHOCQZJTBYQVJI-MRXNPFEDSA-N 1 0 395.297 2.654 20 0 GFADRO Cc1n[nH]c(C(=O)N2CC[C@@H]([N@H+](C)CCc3ccccc3)C2)c1Br ZINC000855734558 662005658 /nfs/dbraw/zinc/00/56/58/662005658.db2.gz DUVDLGIQLXYRPN-OAHLLOKOSA-N 1 0 391.313 2.870 20 0 GFADRO Cn1nc(Br)cc1C(=O)N1CC[C@@H]([N@H+](C)CCc2ccccc2)C1 ZINC000855734216 662005674 /nfs/dbraw/zinc/00/56/74/662005674.db2.gz XRADGDWVKONIOB-OAHLLOKOSA-N 1 0 391.313 2.572 20 0 GFADRO O=C(c1cc2c(cccc2Br)[nH]1)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000856254119 662026868 /nfs/dbraw/zinc/02/68/68/662026868.db2.gz RRDZQJOCQPFCMW-ZDUSSCGKSA-N 1 0 392.297 2.602 20 0 GFADRO C[NH+](C)CCC[C@@H]1CN(C(=O)[C@@H](O)c2ccc(Cl)c(Cl)c2)CCO1 ZINC000856430944 662033600 /nfs/dbraw/zinc/03/36/00/662033600.db2.gz MRQPBZJJDGXMMW-CJNGLKHVSA-N 1 0 375.296 2.596 20 0 GFADRO C[C@@H](CNc1cnc(Br)cn1)[NH+]1CCN(c2ccccc2)CC1 ZINC000856723460 662038726 /nfs/dbraw/zinc/03/87/26/662038726.db2.gz SNBJJFMPHVFTRQ-AWEZNQCLSA-N 1 0 376.302 2.862 20 0 GFADRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)NCC[C@H]2CC2(Cl)Cl)CC1 ZINC000856947990 662053878 /nfs/dbraw/zinc/05/38/78/662053878.db2.gz FDNALPPBBFDORM-OAGGEKHMSA-N 1 0 391.387 2.770 20 0 GFADRO CC[NH+](CC)CC(C)(C)COC(=O)c1c(Br)nc2n1CCOC2 ZINC000857030703 662059458 /nfs/dbraw/zinc/05/94/58/662059458.db2.gz WUGYCODQZJSKCK-UHFFFAOYSA-N 1 0 388.306 2.701 20 0 GFADRO C[NH+](C)Cc1ccc(C(=O)N2CC(O)(c3ccc(Br)cc3)C2)cc1 ZINC000857336892 662074622 /nfs/dbraw/zinc/07/46/22/662074622.db2.gz WLIMAROYXFONGJ-UHFFFAOYSA-N 1 0 389.293 2.854 20 0 GFADRO COc1cc(C(=O)N2C[C@@H]([NH+](C)C)CCc3cc(Br)ccc32)on1 ZINC000857880150 662093173 /nfs/dbraw/zinc/09/31/73/662093173.db2.gz CWTKUXSDCJXAMZ-ZDUSSCGKSA-N 1 0 394.269 2.969 20 0 GFADRO O=S(=O)(Cc1ccccc1)NCC[NH2+]Cc1csc(C(F)(F)F)c1 ZINC000858106001 662098972 /nfs/dbraw/zinc/09/89/72/662098972.db2.gz PZRJHURUMNYGLY-UHFFFAOYSA-N 1 0 378.441 2.976 20 0 GFADRO Cn1cc(CNc2cccc(C[NH+]3CCC(O)CC3)c2)c(Br)n1 ZINC000858139728 662100736 /nfs/dbraw/zinc/10/07/36/662100736.db2.gz PXKFCWMQGBOFJY-UHFFFAOYSA-N 1 0 379.302 2.751 20 0 GFADRO COCO[C@@H](C)c1cc(F)c(C[NH2+]C[C@](C)(CO)OC)cc1Br ZINC000858186123 662103852 /nfs/dbraw/zinc/10/38/52/662103852.db2.gz QZCLUDICQXPWKN-MEDUHNTESA-N 1 0 394.281 2.757 20 0 GFADRO C[C@@H](O)c1ncc(C[NH2+][C@]2(CO)CCc3cc(Br)ccc3C2)s1 ZINC000858240928 662105785 /nfs/dbraw/zinc/10/57/85/662105785.db2.gz UXZBIWWHMUSXLM-PIGZYNQJSA-N 1 0 397.338 2.969 20 0 GFADRO Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1C[NH2+]C[C@H]1COCCN1C ZINC000858275516 662107086 /nfs/dbraw/zinc/10/70/86/662107086.db2.gz BGLUVFSGHUTRKY-INIZCTEOSA-N 1 0 383.323 2.967 20 0 GFADRO CC(=O)c1ccc(Cl)c(S(=O)(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)c1 ZINC000858620678 662116623 /nfs/dbraw/zinc/11/66/23/662116623.db2.gz NKEJMDAJCITSKM-DOTOQJQBSA-N 1 0 378.881 2.577 20 0 GFADRO CC(=O)OC1CC[NH+]([C@@H]2CCc3cc(Br)ccc3NC2=O)CC1 ZINC000859205215 662144700 /nfs/dbraw/zinc/14/47/00/662144700.db2.gz WRNRDLOQWJCOKQ-MRXNPFEDSA-N 1 0 381.270 2.730 20 0 GFADRO C[N@@H+]1CCCC[C@H](CNS(=O)(=O)c2cnc(Cl)c(Br)c2)C1 ZINC000859303384 662152065 /nfs/dbraw/zinc/15/20/65/662152065.db2.gz UPUWPSFCLHCSSU-SNVBAGLBSA-N 1 0 396.738 2.508 20 0 GFADRO CC[C@H](C(=O)NC[C@H](C)N1CC[NH+](C)CC1)c1ccc(Br)cc1 ZINC000859364691 662156873 /nfs/dbraw/zinc/15/68/73/662156873.db2.gz ODAMHZFHLHTMGC-YOEHRIQHSA-N 1 0 382.346 2.695 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)Nc2cccnc2Br)CC[C@H]1C(F)(F)F ZINC000859664149 662171646 /nfs/dbraw/zinc/17/16/46/662171646.db2.gz ZXNQNHDQGAVZEQ-RKDXNWHRSA-N 1 0 381.196 2.835 20 0 GFADRO C[NH2+]CCOCCN(C)C(=O)Nc1cnc(Cl)c(Br)c1C ZINC000859674521 662171863 /nfs/dbraw/zinc/17/18/63/662171863.db2.gz DHWXOCRXECJXFU-UHFFFAOYSA-N 1 0 379.686 2.506 20 0 GFADRO C[C@H]([NH3+])CN(C)C(=O)Nc1nnc(-c2cccc(OC(F)(F)F)c2)s1 ZINC000859687895 662172504 /nfs/dbraw/zinc/17/25/04/662172504.db2.gz ABNNVTUMWKGKEO-QMMMGPOBSA-N 1 0 375.376 2.915 20 0 GFADRO C[NH+]1CCC(O)(CNC(=O)C(C)(C)[C@@H](O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000859742463 662174174 /nfs/dbraw/zinc/17/41/74/662174174.db2.gz STAYXEPPISBSTJ-HNNXBMFYSA-N 1 0 389.323 2.626 20 0 GFADRO CSc1ccc(/C=C\C(=O)N2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)s1 ZINC000860496828 662203013 /nfs/dbraw/zinc/20/30/13/662203013.db2.gz YDSHUHWVTSTRLR-AAQZWPSQSA-N 1 0 379.595 2.968 20 0 GFADRO C[C@@H]1CN(C(=O)c2ccc(SC(F)(F)F)nc2)CC[N@@H+]1CC(C)(C)O ZINC000861183448 662233137 /nfs/dbraw/zinc/23/31/37/662233137.db2.gz IHEZFFVCOKVMOG-LLVKDONJSA-N 1 0 377.432 2.611 20 0 GFADRO CO[C@@H]1C[N@H+](C)[C@@](C)(COC(=O)[C@H](C)Oc2ccc(Br)cc2)C1 ZINC000861354281 662242169 /nfs/dbraw/zinc/24/21/69/662242169.db2.gz YLCCMFKWSAMPSJ-YLQAJVPDSA-N 1 0 386.286 2.869 20 0 GFADRO C[C@H]1CC[C@@H](NC(=O)C(=O)Nc2ccc3cc(Br)ccc3c2)C[NH2+]1 ZINC000861523665 662248874 /nfs/dbraw/zinc/24/88/74/662248874.db2.gz JVCDXVWMQVCWNZ-MEDUHNTESA-N 1 0 390.281 2.798 20 0 GFADRO C[N@H+](Cc1ccccc1)C1CN(C(=O)c2cc(Br)cnc2F)C1 ZINC000861659745 662254057 /nfs/dbraw/zinc/25/40/57/662254057.db2.gz QIJRVKRVPDKCBK-UHFFFAOYSA-N 1 0 378.245 2.940 20 0 GFADRO CN(C)CC[N@H+](C)CCCN(C)C(=O)c1ccc(SC(F)(F)F)nc1 ZINC000861743908 662257020 /nfs/dbraw/zinc/25/70/20/662257020.db2.gz QUHWUQSXRHRUAI-UHFFFAOYSA-N 1 0 378.464 2.649 20 0 GFADRO C[NH+](C)CC(C)(C)CNC(=O)C(=O)Nc1cccc(SC(F)(F)F)c1 ZINC000861751796 662257444 /nfs/dbraw/zinc/25/74/44/662257444.db2.gz ZFLPXUDDCCCKNO-UHFFFAOYSA-N 1 0 377.432 2.941 20 0 GFADRO C[C@H]1C[C@@H](NC(=O)C(=O)Nc2cccc(SC(F)(F)F)c2)CC[N@@H+]1C ZINC000861758319 662257941 /nfs/dbraw/zinc/25/79/41/662257941.db2.gz DTDOXGKIBYQSTD-JQWIXIFHSA-N 1 0 375.416 2.836 20 0 GFADRO C[C@]1(Br)C[C@H]1C(=O)NC1(C[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000862207451 662273014 /nfs/dbraw/zinc/27/30/14/662273014.db2.gz QSZARPBGHAENBT-WMZOPIPTSA-N 1 0 392.341 2.631 20 0 GFADRO Cc1cc(C[N@@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)c(Br)cc1F ZINC000862215446 662273902 /nfs/dbraw/zinc/27/39/02/662273902.db2.gz JLBNBNBZKXPHIP-CQSZACIVSA-N 1 0 399.304 2.967 20 0 GFADRO CC(C)(C)OC(=O)N1CC(F)(F)C[C@@H]1C[N@@H+]1CC[C@H]2CC[C@@H](C1)[S@@]2=O ZINC000862527226 662289847 /nfs/dbraw/zinc/28/98/47/662289847.db2.gz MIIBNIDYIDKHIW-IYFOKCQASA-N 1 0 378.485 2.617 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)c(C)c1C[N@@H+]1C[C@@H]2COC(=O)[C@@H]2C1 ZINC000862545289 662290977 /nfs/dbraw/zinc/29/09/77/662290977.db2.gz OANVELUTPJRPKV-CXAGYDPISA-N 1 0 390.281 2.856 20 0 GFADRO CNS(=O)(=O)C[C@H]1CCCN(Cc2cc(C)cc(Br)c2)C1 ZINC000862551311 662291436 /nfs/dbraw/zinc/29/14/36/662291436.db2.gz MBKSDCQOPSLTHM-ZDUSSCGKSA-N 1 0 375.332 2.519 20 0 GFADRO C[N@H+](CC(=O)N1CC[C@@H](O)[C@H]1c1ccc(Br)cc1)[C@H]1CCSC1 ZINC000863580136 662338420 /nfs/dbraw/zinc/33/84/20/662338420.db2.gz HULMVUBZLGEQHS-ZMSDIMECSA-N 1 0 399.354 2.521 20 0 GFADRO NS(=O)(=O)c1ccc(-c2cccc(C[NH2+]C3CCOCC3)c2)cc1Cl ZINC000863979146 662351823 /nfs/dbraw/zinc/35/18/23/662351823.db2.gz BPSANZBALGSIGC-UHFFFAOYSA-N 1 0 380.897 2.923 20 0 GFADRO C[NH+](C)[C@H]1C[C@H](NC(=O)c2cc3c(cc2Br)OCO3)C12CCC2 ZINC000864070355 662353435 /nfs/dbraw/zinc/35/34/35/662353435.db2.gz PUKQTFDMPMNTKV-GJZGRUSLSA-N 1 0 381.270 2.780 20 0 GFADRO C[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@]3(C)CC3(Br)Br)C[C@@]2(C)C1 ZINC000864077641 662353806 /nfs/dbraw/zinc/35/38/06/662353806.db2.gz PLADVDCWTCMLHJ-FRRDWIJNSA-N 1 0 394.151 2.683 20 0 GFADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2nc(Br)sc2Cl)C1 ZINC000864614833 662381493 /nfs/dbraw/zinc/38/14/93/662381493.db2.gz OEJISBIDSJDQSC-VIFPVBQESA-N 1 0 396.738 2.646 20 0 GFADRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)[C@@H]1[C@@H]2Cc3ccc(Br)cc3[C@@H]21 ZINC000864963017 662392667 /nfs/dbraw/zinc/39/26/67/662392667.db2.gz RNMFZYUXXKXZIB-HQKIHSOMSA-N 1 0 375.310 2.935 20 0 GFADRO CN1C(=O)N(CC2([NH+](C)C)CCC2)C(=O)[C@H]1c1ccc(Br)s1 ZINC000865303705 662411546 /nfs/dbraw/zinc/41/15/46/662411546.db2.gz LOIHKTZBZVHBEQ-GFCCVEGCSA-N 1 0 386.315 2.930 20 0 GFADRO C[C@@H](C[NH2+]Cc1cn(C[C@@H]2CCCO2)nn1)Oc1cccc(Br)c1 ZINC000865478693 662424284 /nfs/dbraw/zinc/42/42/84/662424284.db2.gz LYBQFQIOHFVQQI-GUYCJALGSA-N 1 0 395.301 2.777 20 0 GFADRO C[C@@H](C[NH2+]Cc1cn(C[C@H]2CCCO2)nn1)Oc1ccccc1Br ZINC000865482882 662424568 /nfs/dbraw/zinc/42/45/68/662424568.db2.gz AGYCIMPZUNGMOC-DZGCQCFKSA-N 1 0 395.301 2.777 20 0 GFADRO C[C@H](CN1CC[NH+](C)CC1)Nc1nc(-c2ccc(Br)cc2)no1 ZINC000865525117 662426733 /nfs/dbraw/zinc/42/67/33/662426733.db2.gz SYDLNCWFUBIESO-GFCCVEGCSA-N 1 0 380.290 2.547 20 0 GFADRO COc1ncc(Br)cc1C[NH2+]C[C@@H]1CCC2(CCOCC2)[C@H]1O ZINC000865558559 662429191 /nfs/dbraw/zinc/42/91/91/662429191.db2.gz SJEUPBAZQMOKBI-WFASDCNBSA-N 1 0 385.302 2.510 20 0 GFADRO COc1ncc(Br)cc1C[NH2+][C@@H]1CCO[C@@H](c2nccn2C)C1 ZINC000865595541 662431434 /nfs/dbraw/zinc/43/14/34/662431434.db2.gz BVZDJAZJSJXMBC-ZIAGYGMSSA-N 1 0 381.274 2.596 20 0 GFADRO Cc1ccnc(C[NH2+]CC(C)(C)[C@@H]2COCC23OCCO3)c1Br ZINC000865601106 662431753 /nfs/dbraw/zinc/43/17/53/662431753.db2.gz YDOQJAKQVJKUFY-AWEZNQCLSA-N 1 0 385.302 2.658 20 0 GFADRO O[C@@H]1CC[N@H+](Cc2ccc(CNCc3cccnc3Br)cc2)C1 ZINC000865624232 662432503 /nfs/dbraw/zinc/43/25/03/662432503.db2.gz WSMYCBVBIZZPNH-QGZVFWFLSA-N 1 0 376.298 2.701 20 0 GFADRO CC(C)(O)CN1CC[C@H]([NH2+]Cc2c[nH]nc2-c2ccc(Br)s2)C1 ZINC000865660174 662434876 /nfs/dbraw/zinc/43/48/76/662434876.db2.gz JPSUBVJOKDRPFK-LBPRGKRZSA-N 1 0 399.358 2.836 20 0 GFADRO Cn1nc(Br)cc1C[NH2+]CCC1(O)CCN(c2ccccc2)CC1 ZINC000865689988 662437036 /nfs/dbraw/zinc/43/70/36/662437036.db2.gz VFMNTQAJIVTIIC-UHFFFAOYSA-N 1 0 393.329 2.694 20 0 GFADRO C[NH+]1CCC(N2CC[C@@H](NC(=O)c3ccc(SC(F)(F)F)o3)C2)CC1 ZINC000865749640 662440782 /nfs/dbraw/zinc/44/07/82/662440782.db2.gz USRLCVDEXVNXNK-LLVKDONJSA-N 1 0 377.432 2.790 20 0 GFADRO CC[NH+]1CCN([C@H](C)CNC(=O)/C=C/c2ccsc2C(F)(F)F)CC1 ZINC000865791487 662443884 /nfs/dbraw/zinc/44/38/84/662443884.db2.gz AWYHCPVQXIOVGI-MUBLQREKSA-N 1 0 375.460 2.922 20 0 GFADRO CC(C)[C@@H](C[NH+](C)C)NC(=O)c1cc(Br)ncc1Br ZINC000865799968 662444103 /nfs/dbraw/zinc/44/41/03/662444103.db2.gz INTSWJUNRYTVKW-LLVKDONJSA-N 1 0 393.123 2.923 20 0 GFADRO O=C1NCCN1Cc1ccc(C[NH2+]Cc2cncc(Br)c2)cc1 ZINC000865815910 662445182 /nfs/dbraw/zinc/44/51/82/662445182.db2.gz QWWFECAVAIAACW-UHFFFAOYSA-N 1 0 375.270 2.659 20 0 GFADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)c3ccc(SC(F)(F)F)o3)CC2)C1 ZINC000865897302 662449851 /nfs/dbraw/zinc/44/98/51/662449851.db2.gz YYBNDXBNYHMFPJ-LBPRGKRZSA-N 1 0 377.432 2.744 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(Br)cn3ccnc23)[C@H](C)C1 ZINC000866048513 662458285 /nfs/dbraw/zinc/45/82/85/662458285.db2.gz CETBIWWARWKNBJ-IUODEOHRSA-N 1 0 379.302 2.899 20 0 GFADRO CN(CC[NH+]1CC2(C1)CCOCC2)C(=O)Nc1nc(C(F)(F)F)cs1 ZINC000866167602 662462865 /nfs/dbraw/zinc/46/28/65/662462865.db2.gz MTGSAQIWDJBSPB-UHFFFAOYSA-N 1 0 378.420 2.738 20 0 GFADRO C[C@H](CCc1cccnc1)[NH2+]CCNS(=O)(=O)c1ccc(F)cc1Cl ZINC000866353343 662468843 /nfs/dbraw/zinc/46/88/43/662468843.db2.gz GOGYNNOILZDARY-CYBMUJFWSA-N 1 0 385.892 2.763 20 0 GFADRO C/C(=C/c1ccc(Br)o1)C(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000866352412 662468948 /nfs/dbraw/zinc/46/89/48/662468948.db2.gz JLKXNKQSYKABEH-SEYXRHQNSA-N 1 0 384.318 2.588 20 0 GFADRO CSc1cc(C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)ccc1Br ZINC000866378981 662469655 /nfs/dbraw/zinc/46/96/55/662469655.db2.gz CYGTZZGJMOPRCA-ZDUSSCGKSA-N 1 0 399.354 2.965 20 0 GFADRO C/C(=C/c1ccc(Br)o1)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000866381608 662469660 /nfs/dbraw/zinc/46/96/60/662469660.db2.gz RZDCWCQYITVUSG-QLKUMGTLSA-N 1 0 383.286 2.626 20 0 GFADRO Cc1cc(Br)cc2c1[C@H]([NH2+]C[C@@]13COC(=O)N1CCOC3)CC2 ZINC000866521334 662478693 /nfs/dbraw/zinc/47/86/93/662478693.db2.gz LOUYKYQPNSUOHJ-RHSMWYFYSA-N 1 0 381.270 2.556 20 0 GFADRO C[C@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+]CC(C)(C)CS(N)(=O)=O ZINC000866572852 662481065 /nfs/dbraw/zinc/48/10/65/662481065.db2.gz RKFFPLQWXIDLOQ-SECBINFHSA-N 1 0 387.855 2.589 20 0 GFADRO COC[C@H]([NH2+]C1CCN([C@H]2CCOC2)CC1)c1cccc(Br)c1 ZINC000866598204 662483076 /nfs/dbraw/zinc/48/30/76/662483076.db2.gz UIAPOCQDXLFZFA-ROUUACIJSA-N 1 0 383.330 2.980 20 0 GFADRO CC[C@H]1CN(S(=O)(=O)Cc2cc(C)ccc2Br)CC[C@H]1[NH3+] ZINC000866758668 662495364 /nfs/dbraw/zinc/49/53/64/662495364.db2.gz WQRSUKHVAGGFCZ-SWLSCSKDSA-N 1 0 375.332 2.647 20 0 GFADRO [NH3+][C@@H]1CCO[C@@H](C2CCN(S(=O)(=O)Cc3ccc(F)cc3Cl)CC2)C1 ZINC000866772309 662496584 /nfs/dbraw/zinc/49/65/84/662496584.db2.gz RHIKJCIIKQNTCG-NVXWUHKLSA-N 1 0 390.908 2.527 20 0 GFADRO Cc1ccc(Br)c(CS(=O)(=O)NCc2ccc(C[NH3+])cc2)c1 ZINC000866774582 662496930 /nfs/dbraw/zinc/49/69/30/662496930.db2.gz RTVUAYRYEZXRCE-UHFFFAOYSA-N 1 0 383.311 2.836 20 0 GFADRO C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1Br)C1CC[NH2+]CC1 ZINC000866811453 662500892 /nfs/dbraw/zinc/50/08/92/662500892.db2.gz WZDJZRFGTIHFBO-SECBINFHSA-N 1 0 381.723 2.769 20 0 GFADRO C[C@H](NS(=O)(=O)c1ccc(Cl)cc1Br)C1CC[NH2+]CC1 ZINC000866813638 662501164 /nfs/dbraw/zinc/50/11/64/662501164.db2.gz WZDJZRFGTIHFBO-VIFPVBQESA-N 1 0 381.723 2.769 20 0 GFADRO CC(C)(C)[C@]1(C[NH3+])CCN(S(=O)(=O)c2cc3c(cc2Cl)CCC3=O)C1 ZINC000866814440 662501393 /nfs/dbraw/zinc/50/13/93/662501393.db2.gz QAQAJVCFXMSWJC-SFHVURJKSA-N 1 0 384.929 2.855 20 0 GFADRO COC(=O)c1ccc(S(=O)(=O)N2CC[C@@](C[NH3+])(C(C)(C)C)C2)c(Cl)c1 ZINC000866816072 662501493 /nfs/dbraw/zinc/50/14/93/662501493.db2.gz WJJSTUGJTLUHSB-KRWDZBQOSA-N 1 0 388.917 2.512 20 0 GFADRO O=S(=O)(c1ccc(Cl)c(Br)c1)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000866825468 662502230 /nfs/dbraw/zinc/50/22/30/662502230.db2.gz QMONOGIWYYWWBF-STQMWFEESA-N 1 0 379.707 2.618 20 0 GFADRO O=S(=O)(c1ccc2ccnc(Cl)c2c1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000866853827 662503896 /nfs/dbraw/zinc/50/38/96/662503896.db2.gz HNQVQJBBQZMQFI-AWEZNQCLSA-N 1 0 379.913 2.995 20 0 GFADRO CN(CC[C@H]1CCCC[N@@H+]1C)S(=O)(=O)c1cc2nc(Cl)ncc2s1 ZINC000866881522 662505909 /nfs/dbraw/zinc/50/59/09/662505909.db2.gz AMKNGUCBRYAXAZ-LLVKDONJSA-N 1 0 388.946 2.840 20 0 GFADRO CC(C)OCC[NH+]1CCC(NS(=O)(=O)c2cc(Cl)cnc2Cl)CC1 ZINC000866909032 662507853 /nfs/dbraw/zinc/50/78/53/662507853.db2.gz QFVWFPHVWXEUJL-UHFFFAOYSA-N 1 0 396.340 2.556 20 0 GFADRO CS[C@H]1CN(C(=O)c2ccc(N=S(C)(C)=O)cc2)C[C@@H]1[NH+]1CCCC1 ZINC000867383335 662546655 /nfs/dbraw/zinc/54/66/55/662546655.db2.gz VSDMQSZWFQMPAN-IRXDYDNUSA-N 1 0 381.567 2.698 20 0 GFADRO CCCCN(c1ccncc1)S(=O)(=O)c1cccc(S(=O)(=O)CC)c1 ZINC000867628228 662563979 /nfs/dbraw/zinc/56/39/79/662563979.db2.gz UBVBBFLNJCNWRV-UHFFFAOYSA-N 1 0 382.507 2.871 20 0 GFADRO C[N@@H+]1CC[C@H]2CN(S(=O)(=O)c3ccc(Cl)cc3Br)CC[C@H]21 ZINC000867806945 662578016 /nfs/dbraw/zinc/57/80/16/662578016.db2.gz IEBSZHSZCVHYEW-GXFFZTMASA-N 1 0 393.734 2.817 20 0 GFADRO Cc1cc(S(=O)(=O)N2CC[C@H]3[C@H](CC[N@H+]3C)C2)sc1Br ZINC000867812448 662579246 /nfs/dbraw/zinc/57/92/46/662579246.db2.gz JVSRQIFSRODLRT-MNOVXSKESA-N 1 0 379.345 2.534 20 0 GFADRO Cc1cc(Br)c(S(=O)(=O)N2CC[C@H]3[C@@H](CC[N@H+]3C)C2)s1 ZINC000867812974 662579427 /nfs/dbraw/zinc/57/94/27/662579427.db2.gz OTVPPMAPJDJCKU-JQWIXIFHSA-N 1 0 379.345 2.534 20 0 GFADRO CC[NH2+][C@H](C)CNC(=O)c1c(F)ccc(I)c1Cl ZINC000867971860 662590095 /nfs/dbraw/zinc/59/00/95/662590095.db2.gz PNVFMRZJRNKLPR-SSDOTTSWSA-N 1 0 384.620 2.812 20 0 GFADRO C[C@@H](NC(=O)c1cnn(-c2ccc(Br)cc2)c1)C1CC[NH2+]CC1 ZINC000868001624 662590836 /nfs/dbraw/zinc/59/08/36/662590836.db2.gz AYTZDVDCPBGWGU-GFCCVEGCSA-N 1 0 377.286 2.753 20 0 GFADRO C[NH+](C)Cc1cccc(CNC(=O)NCc2ccc(Br)cn2)c1 ZINC000868040229 662592231 /nfs/dbraw/zinc/59/22/31/662592231.db2.gz CEDUOBCLPJJWRJ-UHFFFAOYSA-N 1 0 377.286 2.905 20 0 GFADRO C[C@H](CNC(=O)NCc1ncc(Br)s1)[N@@H+]1CCCC[C@@H]1C ZINC000868053387 662592792 /nfs/dbraw/zinc/59/27/92/662592792.db2.gz MBUCKEOISAMFMQ-WDEREUQCSA-N 1 0 375.336 2.968 20 0 GFADRO CCOc1cc(Br)c(CC(=O)N2CC[C@@](C)([NH3+])C2)cc1OCC ZINC000868077351 662593741 /nfs/dbraw/zinc/59/37/41/662593741.db2.gz WKEYHESTSQWLPS-QGZVFWFLSA-N 1 0 385.302 2.739 20 0 GFADRO COc1cc(NC(=O)N2CCC[C@@H]3[NH2+]CC[C@@H]32)cc(OC)c1Br ZINC000868143858 662595972 /nfs/dbraw/zinc/59/59/72/662595972.db2.gz YXFILHKNYQFIDQ-RYUDHWBXSA-N 1 0 384.274 2.825 20 0 GFADRO COC(=O)c1c(Br)ccc(NC(=O)N2CCC[C@@H]3[NH2+]CC[C@H]32)c1C ZINC000868153276 662596534 /nfs/dbraw/zinc/59/65/34/662596534.db2.gz ZCMPPDJFEVZXTB-UONOGXRCSA-N 1 0 396.285 2.902 20 0 GFADRO COC[C@@H](NC(=O)N[C@H](CC[NH3+])C(F)(F)F)c1cccc(Br)c1 ZINC000868166978 662597347 /nfs/dbraw/zinc/59/73/47/662597347.db2.gz ODTUWZZANUTIEM-VXGBXAGGSA-N 1 0 398.223 2.716 20 0 GFADRO [NH3+]CC12CCC(CC1)N2C(=O)C(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000868291714 662600903 /nfs/dbraw/zinc/60/09/03/662600903.db2.gz RTCYMIXLWAGGQI-UHFFFAOYSA-N 1 0 375.778 2.780 20 0 GFADRO CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)C(=O)Nc2ccccc2Br)C1 ZINC000868309187 662601549 /nfs/dbraw/zinc/60/15/49/662601549.db2.gz GFPMYLMOGFHSRI-KRWDZBQOSA-N 1 0 382.302 2.611 20 0 GFADRO C[N@@H+]1CCC[C@H](CNC(=O)N[C@@H]2[C@@H]3Cc4ccc(Br)cc4[C@@H]32)C1 ZINC000868366993 662603178 /nfs/dbraw/zinc/60/31/78/662603178.db2.gz BCSUFRRLQFMLGW-KLWIRTJPSA-N 1 0 378.314 2.728 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3[C@@H]4Cc5cc(Br)ccc5[C@@H]43)C[C@@H]2C1 ZINC000868449877 662605688 /nfs/dbraw/zinc/60/56/88/662605688.db2.gz XDHIHULRFKRVPK-SFMDQKTRSA-N 1 0 375.310 2.745 20 0 GFADRO C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1cc(Br)cn3ccnc13)C2 ZINC000868634112 662612938 /nfs/dbraw/zinc/61/29/38/662612938.db2.gz QADLUIXWXJRJOF-KRWDZBQOSA-N 1 0 377.286 2.655 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)c2cc(Br)cn3ccnc23)C1 ZINC000869226751 662636370 /nfs/dbraw/zinc/63/63/70/662636370.db2.gz ZSAOHPPXJGCQQS-GFCCVEGCSA-N 1 0 379.302 2.947 20 0 GFADRO C[NH+](C)CCC[C@@H]1CN(C(=O)c2cc(F)c(Br)cc2F)CCO1 ZINC000869313511 662641257 /nfs/dbraw/zinc/64/12/57/662641257.db2.gz IYVVRCMEZDQZKG-LLVKDONJSA-N 1 0 391.256 2.910 20 0 GFADRO COCCN(CC1CC[NH+](C)CC1)C(=O)Cc1ccccc1Br ZINC000869766553 662660531 /nfs/dbraw/zinc/66/05/31/662660531.db2.gz XIGXILUKECEXCL-UHFFFAOYSA-N 1 0 383.330 2.808 20 0 GFADRO CSc1cc(Br)ccc1C(=O)N[C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC000869775275 662661393 /nfs/dbraw/zinc/66/13/93/662661393.db2.gz KNGKGJMLPXEQCQ-LBPRGKRZSA-N 1 0 387.343 2.746 20 0 GFADRO [NH3+][C@H]1CC[C@@H](C(=O)NCCc2ccc(I)s2)CC1 ZINC000870878363 662704315 /nfs/dbraw/zinc/70/43/15/662704315.db2.gz BJIKFOUQJRFFCO-AOOOYVTPSA-N 1 0 378.279 2.529 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC000870877022 662704392 /nfs/dbraw/zinc/70/43/92/662704392.db2.gz ZPIQQYLPUKZKBG-MQMHXKEQSA-N 1 0 382.302 2.720 20 0 GFADRO CO[C@@H](C)c1nc(CNC(=O)[C@@H]([NH3+])c2cccc(Br)c2)cs1 ZINC000870901983 662707449 /nfs/dbraw/zinc/70/74/49/662707449.db2.gz JNRZBFQQCJXPRC-ZANVPECISA-N 1 0 384.299 2.929 20 0 GFADRO C[NH2+]C1CCN(C(=O)c2c(F)ccc(I)c2Cl)CC1 ZINC000870936362 662709076 /nfs/dbraw/zinc/70/90/76/662709076.db2.gz HMPHJUHDWNKHGD-UHFFFAOYSA-N 1 0 396.631 2.908 20 0 GFADRO [NH3+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)c(Cl)c3)C2)C1 ZINC000870968508 662711725 /nfs/dbraw/zinc/71/17/25/662711725.db2.gz WJICWDBBOMNKKY-BNOWGMLFSA-N 1 0 384.307 2.699 20 0 GFADRO C[C@H](NC(=O)c1[nH]nc(-c2ccccc2)c1Br)C1CC[NH2+]CC1 ZINC000870987985 662712382 /nfs/dbraw/zinc/71/23/82/662712382.db2.gz YJTWSUXKTKSOOS-NSHDSACASA-N 1 0 377.286 2.957 20 0 GFADRO CC(C)CC(=O)N1CCCN(C(=O)[C@H]([NH3+])c2cccc(Br)c2)CC1 ZINC000871016812 662712935 /nfs/dbraw/zinc/71/29/35/662712935.db2.gz ILPBGZLHVWGIFG-QGZVFWFLSA-N 1 0 396.329 2.556 20 0 GFADRO C[NH+](C)C1(C)CCC(NC(=O)CN2C(=S)N=NC2c2cccs2)CC1 ZINC000871356943 662720354 /nfs/dbraw/zinc/72/03/54/662720354.db2.gz PMIJIHGCECGHMA-UHFFFAOYSA-N 1 0 379.555 2.674 20 0 GFADRO COC(=O)[C@@H](c1ccc(Br)s1)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000871397468 662722381 /nfs/dbraw/zinc/72/23/81/662722381.db2.gz TYHBHMWVYMZFQE-GIPNMCIBSA-N 1 0 389.315 2.523 20 0 GFADRO O=C(NC[C@@H]1Cc2ccccc2C[NH2+]1)c1nc(C2CC2)ncc1Br ZINC000871673567 662730854 /nfs/dbraw/zinc/73/08/54/662730854.db2.gz LHQDWCYTDCTWIR-AWEZNQCLSA-N 1 0 387.281 2.561 20 0 GFADRO O=S(=O)(Cc1cc(Cl)cc(Cl)c1)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000871809355 662734595 /nfs/dbraw/zinc/73/45/95/662734595.db2.gz AGVMCYMBRGZWKA-OAHLLOKOSA-N 1 0 393.336 2.572 20 0 GFADRO CC(C)[C@H]([NH3+])CCN(C)S(=O)(=O)c1cc2c(cc1Cl)CCCC(=O)N2 ZINC000871804353 662734598 /nfs/dbraw/zinc/73/45/98/662734598.db2.gz GBDVEGXFSZQNSM-CQSZACIVSA-N 1 0 387.933 2.609 20 0 GFADRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2c(Cl)cc(F)cc2Cl)C[C@H]1C(F)(F)F ZINC000871812905 662735077 /nfs/dbraw/zinc/73/50/77/662735077.db2.gz DPQUUNRFMJGQCO-HTRCEHHLSA-N 1 0 395.205 2.890 20 0 GFADRO Cc1ncsc1CCS(=O)(=O)N1CCC[C@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000871822778 662736117 /nfs/dbraw/zinc/73/61/17/662736117.db2.gz LWNNESJVTTVCKQ-NVXWUHKLSA-N 1 0 385.599 2.943 20 0 GFADRO O=C1C[C@H]([NH2+][C@@H](c2cccc(Br)c2)[C@H]2CCOC2)CN1C1CC1 ZINC000872050405 662754819 /nfs/dbraw/zinc/75/48/19/662754819.db2.gz ZWKRZCMKIZUNIW-YEWWUXTCSA-N 1 0 379.298 2.880 20 0 GFADRO OCCN1CCCC[C@@H]1C[NH2+][C@H](c1cccc(Br)c1)[C@H]1CCOC1 ZINC000872075484 662755244 /nfs/dbraw/zinc/75/52/44/662755244.db2.gz RMYNJIMWGJBWJH-QXAKKESOSA-N 1 0 397.357 2.963 20 0 GFADRO C[C@@H]([NH2+]CCOC(F)(F)C(F)(F)F)c1ccc(NS(C)(=O)=O)cc1 ZINC000872110627 662756089 /nfs/dbraw/zinc/75/60/89/662756089.db2.gz LBBFAAZDDYZRQY-SECBINFHSA-N 1 0 376.347 2.880 20 0 GFADRO [NH3+]C[C@H]1CN(Cc2cc3c(cc2Br)OCO3)C[C@H]1C(F)(F)F ZINC000872148210 662756591 /nfs/dbraw/zinc/75/65/91/662756591.db2.gz OHQUUZKGYIRLOZ-VHSXEESVSA-N 1 0 381.192 2.747 20 0 GFADRO CC(=O)N[C@H](c1nc(CC2CC[NH2+]CC2)no1)c1cccc(Br)c1 ZINC000872171013 662757206 /nfs/dbraw/zinc/75/72/06/662757206.db2.gz KLHFGDLJVKKUJM-INIZCTEOSA-N 1 0 393.285 2.600 20 0 GFADRO O[C@@H](C[NH2+]C[C@H]1CC2(CO1)CCOCC2)COc1cc(Cl)ccc1Cl ZINC000872229892 662758450 /nfs/dbraw/zinc/75/84/50/662758450.db2.gz CDWIHYJYQXMRMP-LSDHHAIUSA-N 1 0 390.307 2.908 20 0 GFADRO O[C@@H](C[NH2+]C[C@@H]1C[C@H]1C1CCOCC1)COc1ccc(Br)cc1 ZINC000872231219 662758585 /nfs/dbraw/zinc/75/85/85/662758585.db2.gz DKYOGLHLSPMTJY-ZVZYQTTQSA-N 1 0 384.314 2.841 20 0 GFADRO CC(=O)N[C@H](C(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1)c1cccc(Br)c1 ZINC000872276915 662759663 /nfs/dbraw/zinc/75/96/63/662759663.db2.gz UFWCVZUTAXKBFH-CVEARBPZSA-N 1 0 396.329 2.521 20 0 GFADRO CC1(C)CC[NH2+]CCN1C(=O)Cc1csc(NC(=O)c2cccs2)n1 ZINC000872295370 662760013 /nfs/dbraw/zinc/76/00/13/662760013.db2.gz DDWNNFREFXUWOQ-UHFFFAOYSA-N 1 0 378.523 2.600 20 0 GFADRO CC(C)[N@H+](C)Cc1ccccc1CNS(=O)(=O)N=[S@@](C)(=O)C(C)(C)C ZINC000872436628 662766246 /nfs/dbraw/zinc/76/62/46/662766246.db2.gz LKYQQBAWTZVVSH-DEOSSOPVSA-N 1 0 389.587 2.758 20 0 GFADRO Cc1sc(C[NH2+][C@@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)cc1Br ZINC000873066504 662798270 /nfs/dbraw/zinc/79/82/70/662798270.db2.gz VTJSNOXSBQFPDN-YMTOWFKASA-N 1 0 383.315 2.836 20 0 GFADRO Cc1sc(C[NH2+]C2CCN(S(=O)(=O)C3CC3)CC2)cc1Br ZINC000873075597 662798931 /nfs/dbraw/zinc/79/89/31/662798931.db2.gz XWAWJYRDFFYPCZ-UHFFFAOYSA-N 1 0 393.372 2.865 20 0 GFADRO Cn1ncc(Br)c1CNC(=O)N1CCC(C)([NH+]2CCCCC2)CC1 ZINC000873088064 662799218 /nfs/dbraw/zinc/79/92/18/662799218.db2.gz LSOKFYUZXQFRRQ-UHFFFAOYSA-N 1 0 398.349 2.733 20 0 GFADRO Cn1c2ccccc2c(Br)c1C[NH2+]C[C@H]1CCCCS1(=O)=O ZINC000873104502 662799828 /nfs/dbraw/zinc/79/98/28/662799828.db2.gz NMTBVXHVKJDRJO-GFCCVEGCSA-N 1 0 385.327 2.998 20 0 GFADRO Cc1sc(C[NH2+]CCS(=O)(=O)CC(F)(F)F)cc1Br ZINC000873137592 662801363 /nfs/dbraw/zinc/80/13/63/662801363.db2.gz ZPNOTUDQLJMQKQ-UHFFFAOYSA-N 1 0 380.251 2.886 20 0 GFADRO Brc1ccc(C2(C[NH2+]Cc3cn(C[C@@H]4CCOC4)nn3)CC2)cc1 ZINC000873153929 662801897 /nfs/dbraw/zinc/80/18/97/662801897.db2.gz MJPOIUXFJIITQJ-AWEZNQCLSA-N 1 0 391.313 2.899 20 0 GFADRO O=C1OCC[C@H]1CCC[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000873159605 662802092 /nfs/dbraw/zinc/80/20/92/662802092.db2.gz AGLNMZLQTRLFDY-CQSZACIVSA-N 1 0 397.313 2.719 20 0 GFADRO [NH3+]C[C@H]1CN(Cc2ccccc2I)C[C@H]1C(F)(F)F ZINC000873226902 662804203 /nfs/dbraw/zinc/80/42/03/662804203.db2.gz DMOJUFCPNFTFIX-WDEREUQCSA-N 1 0 384.183 2.860 20 0 GFADRO COc1cc(Br)c(NC(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)cc1OC ZINC000873303703 662804985 /nfs/dbraw/zinc/80/49/85/662804985.db2.gz LDZRPGVZYKTWNG-MGPLVRAMSA-N 1 0 384.274 2.540 20 0 GFADRO CCc1ccc(Br)c(NC(=O)C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000873668639 662811645 /nfs/dbraw/zinc/81/16/45/662811645.db2.gz YFQNMBCVJGVUKT-CYBMUJFWSA-N 1 0 394.313 2.551 20 0 GFADRO CCc1ccc(Br)c(NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)c1 ZINC000873830024 662815679 /nfs/dbraw/zinc/81/56/79/662815679.db2.gz BNAUCDLAXDOFSC-BLLLJJGKSA-N 1 0 396.329 2.749 20 0 GFADRO C[C@@H]1C[NH+](Cc2ccc(CNC(=O)C3(Br)CC3)cc2)C[C@@H](C)O1 ZINC000873991387 662820664 /nfs/dbraw/zinc/82/06/64/662820664.db2.gz NIRXRHGJFSSTIY-ZIAGYGMSSA-N 1 0 381.314 2.840 20 0 GFADRO Cc1csc(C(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3C)c1I ZINC000874830765 662837861 /nfs/dbraw/zinc/83/78/61/662837861.db2.gz TZJACXBWYQGCJK-WDEREUQCSA-N 1 0 390.290 2.970 20 0 GFADRO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)c1cc(=O)c2cc(Br)ccc2[nH]1 ZINC000874839045 662838180 /nfs/dbraw/zinc/83/81/80/662838180.db2.gz SULRHFSXIGJNPZ-HZPDHXFCSA-N 1 0 390.281 2.599 20 0 GFADRO C[NH+](C)CCOc1cc(C(=O)Nc2c3nsnc3ccc2Cl)ccn1 ZINC000875374900 662845207 /nfs/dbraw/zinc/84/52/07/662845207.db2.gz PVZROPWVCGEOCL-UHFFFAOYSA-N 1 0 377.857 2.932 20 0 GFADRO Cn1cc([C@H]2C[N@H+](C)CC[C@H]2C(=O)Nc2c(F)cccc2Br)cn1 ZINC000875427099 662845821 /nfs/dbraw/zinc/84/58/21/662845821.db2.gz VSGHFRITQNIYHO-CHWSQXEVSA-N 1 0 395.276 2.996 20 0 GFADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@H]2C(=O)Oc2cc(F)ccc2Br)cn1 ZINC000875471320 662846561 /nfs/dbraw/zinc/84/65/61/662846561.db2.gz YTPYMWSKNHEHPN-KGLIPLIRSA-N 1 0 396.260 2.963 20 0 GFADRO Cc1ccc(OC(=O)[C@H]2CC[N@@H+](C)C[C@H]2c2cnn(C)c2)c(Br)n1 ZINC000875559689 662848121 /nfs/dbraw/zinc/84/81/21/662848121.db2.gz XVWCERGRIWWIDI-KBPBESRZSA-N 1 0 393.285 2.527 20 0 GFADRO C[N@H+]1CC=C(CNC(=O)N[C@@H]2[C@@H]3Cc4ccc(Br)cc4[C@@H]32)CC1 ZINC000876267021 662858615 /nfs/dbraw/zinc/85/86/15/662858615.db2.gz YVTQGYFUWRTYII-IXDOHACOSA-N 1 0 376.298 2.648 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)/C=C/[C@@H]1CCC[NH2+]C1 ZINC000876558289 662862853 /nfs/dbraw/zinc/86/28/53/662862853.db2.gz QJCPUGMKKZHOHS-GPAKFWEMSA-N 1 0 394.313 2.710 20 0 GFADRO Cc1cc(NC(=O)[C@@H]2[C@H](C[NH3+])C2(F)F)n(-c2cccc(Br)c2)n1 ZINC000876599514 662863285 /nfs/dbraw/zinc/86/32/85/662863285.db2.gz DDKXDCPBYUFLBD-AAEUAGOBSA-N 1 0 385.212 2.722 20 0 GFADRO COC[C@@]1(C(=O)Nc2ccc(Sc3nc(C)cs3)cc2)C[NH2+]CCO1 ZINC000876599472 662863292 /nfs/dbraw/zinc/86/32/92/662863292.db2.gz BPHZNLNLQULHLJ-QGZVFWFLSA-N 1 0 379.507 2.546 20 0 GFADRO Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)NCc1csc(Br)c1 ZINC000876602063 662863305 /nfs/dbraw/zinc/86/33/05/662863305.db2.gz GPMZWOQSDVYCHV-GFCCVEGCSA-N 1 0 383.315 2.870 20 0 GFADRO O=C(Nc1ccc(CCn2cc(Br)cn2)cc1)[C@@H](F)[C@@H]1CC[NH2+]C1 ZINC000876677459 662864601 /nfs/dbraw/zinc/86/46/01/662864601.db2.gz OTWWFJWACLICKL-CJNGLKHVSA-N 1 0 395.276 2.774 20 0 GFADRO Nc1c(Cl)cc(NC(=O)c2nnn([C@@H]3CC[NH2+]C3)c2C(F)F)cc1Cl ZINC000876706551 662865091 /nfs/dbraw/zinc/86/50/91/662865091.db2.gz XCHNLSIILGQRFP-SSDOTTSWSA-N 1 0 391.209 2.891 20 0 GFADRO C[S@@](=O)C1(C(=O)Nc2ccc(N3CCCCC3)c(Cl)c2)CC[NH2+]CC1 ZINC000876733122 662865534 /nfs/dbraw/zinc/86/55/34/662865534.db2.gz OWDRJAUOTMVWNF-RUZDIDTESA-N 1 0 383.945 2.770 20 0 GFADRO CC(C)[N@H+](CCS(C)(=O)=O)C[C@H]1CCCCN(C(=O)OC(C)(C)C)C1 ZINC000876773489 662866138 /nfs/dbraw/zinc/86/61/38/662866138.db2.gz SIMRTDAFDNYIAO-MRXNPFEDSA-N 1 0 376.563 2.779 20 0 GFADRO O=C(c1ccc2cncc(Br)c2n1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000876841333 662867220 /nfs/dbraw/zinc/86/72/20/662867220.db2.gz PFFGGAZSOHFQIN-KRWDZBQOSA-N 1 0 375.270 2.608 20 0 GFADRO O=C(NCc1ccc(I)c(Cl)c1)[C@@H](F)[C@H]1CC[NH2+]C1 ZINC000876891791 662867657 /nfs/dbraw/zinc/86/76/57/662867657.db2.gz GEIZGGKNBIUTCK-CABZTGNLSA-N 1 0 396.631 2.508 20 0 GFADRO O=C([C@H](F)[C@H]1CC[NH2+]C1)N1CCC(Oc2cccc(Br)c2)CC1 ZINC000876895606 662867761 /nfs/dbraw/zinc/86/77/61/662867761.db2.gz GIRBKWKJEUVIJA-BLLLJJGKSA-N 1 0 385.277 2.767 20 0 GFADRO COC(=O)c1ccc(C[NH2+]CCCOC[C@H]2CCCO2)cc1Br ZINC000876900522 662867881 /nfs/dbraw/zinc/86/78/81/662867881.db2.gz KEWMPYYCZDMHGC-CQSZACIVSA-N 1 0 386.286 2.911 20 0 GFADRO COC(=O)c1ccc(C[NH2+][C@@H]2CCc3nc(C)ncc3C2)cc1Br ZINC000876926405 662868193 /nfs/dbraw/zinc/86/81/93/662868193.db2.gz TXOIXASLZYZUAN-CQSZACIVSA-N 1 0 390.281 2.981 20 0 GFADRO COC(=O)c1ccc(C[NH2+]Cc2ccc(N(C)C)nc2)cc1Br ZINC000876927251 662868197 /nfs/dbraw/zinc/86/81/97/662868197.db2.gz WXLXPQYKGLPINI-UHFFFAOYSA-N 1 0 378.270 2.987 20 0 GFADRO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCN(C(=O)C(=O)c3cc(Cl)cc(Cl)c3)C2)C1 ZINC000876947144 662868487 /nfs/dbraw/zinc/86/84/87/662868487.db2.gz WTNIHTLOKSFHLO-IUIKQTSFSA-N 1 0 385.291 2.921 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+]CCc2ccc(N3CCCCC3)cc2)s1 ZINC000876955075 662868602 /nfs/dbraw/zinc/86/86/02/662868602.db2.gz RLJDPRMAHNVARE-UHFFFAOYSA-N 1 0 379.551 2.718 20 0 GFADRO Cc1nc(C2CC[NH2+]CC2)sc1C(=O)N1CCO[C@@H](C(F)(F)F)[C@H]1C ZINC000876971092 662868981 /nfs/dbraw/zinc/86/89/81/662868981.db2.gz AOSBJJFIJRRAQA-ZWNOBZJWSA-N 1 0 377.432 2.710 20 0 GFADRO CS(=O)(=O)[C@@H]1CCC[C@@H](NCc2nc(Cl)ccc2Br)C1 ZINC000877051327 662870233 /nfs/dbraw/zinc/87/02/33/662870233.db2.gz VRPIJUQMIKREJB-NXEZZACHSA-N 1 0 381.723 2.943 20 0 GFADRO COC(=O)c1ccc(C[NH2+][C@@H]2c3ccccc3C[C@H]2O)cc1Br ZINC000877093579 662870998 /nfs/dbraw/zinc/87/09/98/662870998.db2.gz JUWIUCMXMWTARI-IAGOWNOFSA-N 1 0 376.250 2.984 20 0 GFADRO CN(C[C@@H](O)COc1cc(Cl)cc(Cl)c1)C(=O)c1cccc(C[NH3+])c1 ZINC000877129438 662871480 /nfs/dbraw/zinc/87/14/80/662871480.db2.gz LZUSDANJQAHVEJ-MRXNPFEDSA-N 1 0 383.275 2.964 20 0 GFADRO CCO[P@@](C)(=O)CC[C@H](C)[NH2+]C1CCN(S(=O)(=O)CC(C)C)CC1 ZINC000877140961 662871687 /nfs/dbraw/zinc/87/16/87/662871687.db2.gz CGJCXQAAVLMGED-NPMXOYFQSA-N 1 0 382.507 2.749 20 0 GFADRO O=C(N[C@@H]1[C@H]2Cc3ccc(Br)cc3[C@@H]12)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000877261097 662872625 /nfs/dbraw/zinc/87/26/25/662872625.db2.gz IKBXRKMWTFQZCB-KTQBOKQISA-N 1 0 375.310 2.839 20 0 GFADRO [NH3+]C[C@H]1OCC[C@H]1C(=O)Nc1ccc(Br)c(Br)c1 ZINC000877267623 662872795 /nfs/dbraw/zinc/87/27/95/662872795.db2.gz ZGVGWPQFWFOOIK-LDYMZIIASA-N 1 0 378.064 2.514 20 0 GFADRO C[C@]1(C(=O)Nc2ccc(Br)c(Br)c2)C[NH2+]CCO1 ZINC000877266812 662872821 /nfs/dbraw/zinc/87/28/21/662872821.db2.gz UAFFIJBCAKFARN-GFCCVEGCSA-N 1 0 378.064 2.529 20 0 GFADRO Cc1nc(C(=O)N2CCC[C@@H]3[NH2+]CC[C@H]32)nn1-c1c(Cl)cccc1Cl ZINC000877283309 662873143 /nfs/dbraw/zinc/87/31/43/662873143.db2.gz VPYCFOXDLJJWTA-UONOGXRCSA-N 1 0 380.279 2.849 20 0 GFADRO Cc1cc(Br)c(F)c(C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)c1 ZINC000877327381 662873606 /nfs/dbraw/zinc/87/36/06/662873606.db2.gz RTNNPNWCYCBQAE-GFCCVEGCSA-N 1 0 385.277 2.785 20 0 GFADRO O=C(CCc1cc(F)ccc1Br)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000877328846 662873630 /nfs/dbraw/zinc/87/36/30/662873630.db2.gz LSZXNIDDFLBXHX-HNNXBMFYSA-N 1 0 399.304 2.796 20 0 GFADRO Cc1cc(Br)cc(C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)c1C ZINC000877328473 662873666 /nfs/dbraw/zinc/87/36/66/662873666.db2.gz JRUFEQFSKBUXJA-OAHLLOKOSA-N 1 0 381.314 2.954 20 0 GFADRO Cc1cc(CCC(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)ccc1Br ZINC000877332604 662873871 /nfs/dbraw/zinc/87/38/71/662873871.db2.gz DUWNMTOZYLDUCT-MRXNPFEDSA-N 1 0 395.341 2.965 20 0 GFADRO COc1ccc(Br)c(C(=O)NC[C@@H]2Cc3ccccc3C[NH2+]2)c1 ZINC000877347187 662874156 /nfs/dbraw/zinc/87/41/56/662874156.db2.gz RUTXUCGHCXYPHQ-AWEZNQCLSA-N 1 0 375.266 2.902 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)c2nc(Br)sc2Cl)C[C@H]1C(F)(F)F ZINC000877354183 662874158 /nfs/dbraw/zinc/87/41/58/662874158.db2.gz CIXYNESFJIHOPY-CRCLSJGQSA-N 1 0 392.628 2.768 20 0 GFADRO CC(C)COc1ncc(C(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)cc1Cl ZINC000877359451 662874512 /nfs/dbraw/zinc/87/45/12/662874512.db2.gz SUNSQTQLBGFJOX-NEPJUHHUSA-N 1 0 379.810 2.979 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)c2n[nH]c3ccc(Br)cc32)C[C@@H]1C(F)(F)F ZINC000877367167 662874847 /nfs/dbraw/zinc/87/48/47/662874847.db2.gz YYRUAMQEZKPZDA-XVKPBYJWSA-N 1 0 391.191 2.535 20 0 GFADRO C[C@]12C[NH2+]C[C@H]1CN(C(=O)CCNc1ncc(C(F)(F)F)cc1Cl)C2 ZINC000877374411 662875038 /nfs/dbraw/zinc/87/50/38/662875038.db2.gz IORXEXKOGONQNY-XHDPSFHLSA-N 1 0 376.810 2.624 20 0 GFADRO Cc1csc(C(=O)N[C@@]23CCC[C@H]2[NH2+]CC3)c1I ZINC000877389925 662875287 /nfs/dbraw/zinc/87/52/87/662875287.db2.gz PUYJSPLTPDADLU-NOZJJQNGSA-N 1 0 376.263 2.676 20 0 GFADRO O=C(CCC[S@](=O)c1ccc(Br)cc1)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000877391692 662875312 /nfs/dbraw/zinc/87/53/12/662875312.db2.gz KJLSRBCOJKXZPC-JCEJCQQGSA-N 1 0 399.354 2.738 20 0 GFADRO O=C(N[C@]12CCC[C@H]1[NH2+]CC2)[C@H]1CCN(c2cc(Cl)ccc2Cl)C1=O ZINC000877393064 662875364 /nfs/dbraw/zinc/87/53/64/662875364.db2.gz OSCWRYXQUNSIKK-DWQUBVKVSA-N 1 0 382.291 2.747 20 0 GFADRO COC(=O)c1ccc(C[N@@H+]2CCC[C@@H](CCNC(C)=O)C2)cc1Br ZINC000877530247 662878228 /nfs/dbraw/zinc/87/82/28/662878228.db2.gz RNULLHZQSMTRHS-AWEZNQCLSA-N 1 0 397.313 2.974 20 0 GFADRO O=C(CC[NH2+]CC1CCS(=O)(=O)CC1)Nc1cc(Cl)cc(Cl)c1 ZINC000877552942 662878764 /nfs/dbraw/zinc/87/87/64/662878764.db2.gz IYIDWORYUQYMLF-UHFFFAOYSA-N 1 0 379.309 2.736 20 0 GFADRO CCCN1C[C@@H](C[NH2+]Cc2ccc(C(=O)OC)c(Br)c2)CC1=O ZINC000877594102 662879637 /nfs/dbraw/zinc/87/96/37/662879637.db2.gz BNFUBCNLDLFLGW-CYBMUJFWSA-N 1 0 383.286 2.584 20 0 GFADRO Cc1cc([C@@H]2CC[N@H+](Cc3cccc(S(N)(=O)=O)c3)C2)c(O)cc1Cl ZINC000877636256 662880476 /nfs/dbraw/zinc/88/04/76/662880476.db2.gz RGYVWLNZWAGSQD-CQSZACIVSA-N 1 0 380.897 2.991 20 0 GFADRO COC(=O)c1ccc(CN2CCO[C@@H](CCC[NH+](C)C)C2)cc1Br ZINC000877642382 662880631 /nfs/dbraw/zinc/88/06/31/662880631.db2.gz JKSDBXKILAALFG-HNNXBMFYSA-N 1 0 399.329 2.778 20 0 GFADRO CC(C)(O)[C@@H]1CC[N@H+](Cc2ccc(Br)cc2N2CCOCC2)C1 ZINC000877835615 662885001 /nfs/dbraw/zinc/88/50/01/662885001.db2.gz DGRWTDABXOUCJO-OAHLLOKOSA-N 1 0 383.330 2.879 20 0 GFADRO CC(C)(O)[C@H]1CC[N@H+](Cc2ccc(Br)cc2N2CCOCC2)C1 ZINC000877835614 662885041 /nfs/dbraw/zinc/88/50/41/662885041.db2.gz DGRWTDABXOUCJO-HNNXBMFYSA-N 1 0 383.330 2.879 20 0 GFADRO C[N@@H+]1CCN(C(=O)Nc2cc3c(cc2Br)OCCO3)CC1(C)C ZINC000878007738 662888013 /nfs/dbraw/zinc/88/80/13/662888013.db2.gz JRCNPCTYVKYKGU-UHFFFAOYSA-N 1 0 384.274 2.778 20 0 GFADRO COC(=O)[C@@H](C)C[N@@H+](Cc1ccccc1)C[C@@H](O)c1cc(Br)no1 ZINC000878035793 662888714 /nfs/dbraw/zinc/88/87/14/662888714.db2.gz DTKCMLAMMXVNNB-GXTWGEPZSA-N 1 0 397.269 2.782 20 0 GFADRO CC[NH+]1CCN(CCCNC(=O)c2ccc(OC(F)F)c(Cl)c2)CC1 ZINC000878222137 662891918 /nfs/dbraw/zinc/89/19/18/662891918.db2.gz ZPPLECGTWNNDOM-UHFFFAOYSA-N 1 0 375.847 2.699 20 0 GFADRO C[C@H]1CN(C[C@H](O)c2ccc(Cl)c(Cl)c2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000878324877 662893983 /nfs/dbraw/zinc/89/39/83/662893983.db2.gz PMJHKYMZDBSTFR-KYNGSXCRSA-N 1 0 386.367 2.985 20 0 GFADRO CC(C)(COc1ncccc1Br)[NH2+]CCc1ccc(C(N)=O)cc1 ZINC000878336745 662894087 /nfs/dbraw/zinc/89/40/87/662894087.db2.gz PJQIXDLCQDGOHB-UHFFFAOYSA-N 1 0 392.297 2.933 20 0 GFADRO OCC[C@@H]([NH2+]C[C@H](O)CC1(CO)CCCC1)c1ccccc1Br ZINC000878396943 662895426 /nfs/dbraw/zinc/89/54/26/662895426.db2.gz QBUADVIMHQYSJI-RHSMWYFYSA-N 1 0 386.330 2.766 20 0 GFADRO Cc1ccc([C@@H](CNC(=O)Cc2c(Br)cnn2C)[NH+]2CCCC2)o1 ZINC000878607786 662900160 /nfs/dbraw/zinc/90/01/60/662900160.db2.gz YUBYZGAISDWHFZ-OAHLLOKOSA-N 1 0 395.301 2.580 20 0 GFADRO C[N@H+](C[C@H](O)CC1(CO)CCCC1)C[C@H](O)c1cccc(Br)c1 ZINC000878709727 662903348 /nfs/dbraw/zinc/90/33/48/662903348.db2.gz SIKOIFSPGJOTBD-SJORKVTESA-N 1 0 386.330 2.718 20 0 GFADRO O[C@@H](C[N@@H+]1CC[C@H](c2ccc3cccnc3n2)C1)c1cc(Br)no1 ZINC000878905529 662909394 /nfs/dbraw/zinc/90/93/94/662909394.db2.gz UQDVMGJULVRRNX-JSGCOSHPSA-N 1 0 389.253 2.903 20 0 GFADRO C[NH+]1CCC2(CCN([C@H](C(N)=O)c3cccc(Br)c3)CC2)CC1 ZINC000879249992 662921700 /nfs/dbraw/zinc/92/17/00/662921700.db2.gz JBXQIFYQBDEBLZ-INIZCTEOSA-N 1 0 380.330 2.783 20 0 GFADRO O=C(Nc1ncc(C(F)(F)F)s1)N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000879346929 662923684 /nfs/dbraw/zinc/92/36/84/662923684.db2.gz MIWPQEUKRGCNEP-NSHDSACASA-N 1 0 378.420 2.927 20 0 GFADRO CN1C(=O)[C@H]2C[N@H+](CCSc3ccnc4cc(Cl)ccc43)C[C@H]2C1=O ZINC000879534781 662928504 /nfs/dbraw/zinc/92/85/04/662928504.db2.gz XWFCFESVJVXTOW-OKILXGFUSA-N 1 0 375.881 2.527 20 0 GFADRO Cn1nc(Br)cc1NC(=O)NC[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000879637001 662931101 /nfs/dbraw/zinc/93/11/01/662931101.db2.gz KYUSISKOYCALKV-CYBMUJFWSA-N 1 0 378.274 2.579 20 0 GFADRO Cn1nc(Br)cc1NC(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C ZINC000879644596 662933207 /nfs/dbraw/zinc/93/32/07/662933207.db2.gz HZNNNXLKUNLZAM-GFCCVEGCSA-N 1 0 384.253 2.746 20 0 GFADRO CC[NH+](CC)[C@H](CNC(=O)Nc1cc(Br)nn1C)c1ccco1 ZINC000879645686 662933920 /nfs/dbraw/zinc/93/39/20/662933920.db2.gz VBYPNAQBDKLROF-LLVKDONJSA-N 1 0 384.278 2.980 20 0 GFADRO CS(=O)(=O)Cc1nc(C[NH2+][C@@H](Cc2cccnc2)C2CCCC2)cs1 ZINC000879674253 662936013 /nfs/dbraw/zinc/93/60/13/662936013.db2.gz CZRGZUPXTUADTP-KRWDZBQOSA-N 1 0 379.551 2.974 20 0 GFADRO NC(=O)c1cccc(C[NH2+][C@@]2(c3ccc(Br)cc3)C[C@@H](O)C2)c1 ZINC000880220456 662955225 /nfs/dbraw/zinc/95/52/25/662955225.db2.gz DEVMNEWAQJLMKJ-MAEOIBBWSA-N 1 0 375.266 2.688 20 0 GFADRO NC(=O)C1([NH+]2CCCCC2)CCN(Cc2sccc2Br)CC1 ZINC000880250391 662956272 /nfs/dbraw/zinc/95/62/72/662956272.db2.gz OUAMPPKBQXQLDA-UHFFFAOYSA-N 1 0 386.359 2.816 20 0 GFADRO C[N@H+](CCCCS(C)(=O)=O)C1(CNC(=O)OC(C)(C)C)CCCCC1 ZINC000880345700 662958349 /nfs/dbraw/zinc/95/83/49/662958349.db2.gz AWGBFRYETXIIRE-UHFFFAOYSA-N 1 0 376.563 2.971 20 0 GFADRO O=C(c1nc(Br)ccc1F)N1CCCN(c2cc[nH+]cc2)CC1 ZINC000880383724 662958851 /nfs/dbraw/zinc/95/88/51/662958851.db2.gz ITTJMETVYYMOBO-UHFFFAOYSA-N 1 0 379.233 2.731 20 0 GFADRO CS[C@H]1CN(C(=O)Nc2ccc(C(=O)C(F)(F)F)cc2)C[C@H]1[NH+](C)C ZINC000880431448 662959838 /nfs/dbraw/zinc/95/98/38/662959838.db2.gz ZDHFWASLCBWCIZ-OLZOCXBDSA-N 1 0 375.416 2.941 20 0 GFADRO C[C@@H](C(=O)Nc1ccc(Br)cc1)[N@@H+]1C[C@@H](O)CC2(CCOCC2)C1 ZINC000880584129 662963139 /nfs/dbraw/zinc/96/31/39/662963139.db2.gz NBMYLXRKOMRCNK-BBRMVZONSA-N 1 0 397.313 2.640 20 0 GFADRO O[C@H]1C[N@H+](Cc2nc3cc(Br)ccc3o2)CC2(CCOCC2)C1 ZINC000880586097 662963435 /nfs/dbraw/zinc/96/34/35/662963435.db2.gz WKFLYTKCZAUKRX-CYBMUJFWSA-N 1 0 381.270 2.954 20 0 GFADRO C[C@H](C(=O)Nc1cccc(Br)c1)[N@@H+]1C[C@H](O)CC2(CCOCC2)C1 ZINC000880590001 662963520 /nfs/dbraw/zinc/96/35/20/662963520.db2.gz XDUYGCONTAGXKP-CZUORRHYSA-N 1 0 397.313 2.640 20 0 GFADRO O[C@H](COc1c(Cl)cccc1Cl)C[N@@H+]1C[C@H](O)CC2(CCOCC2)C1 ZINC000880588878 662963681 /nfs/dbraw/zinc/96/36/81/662963681.db2.gz HWWAPQCFQYZESJ-KGLIPLIRSA-N 1 0 390.307 2.597 20 0 GFADRO CC(=O)c1ccc(Br)c(NC(=O)N2C[C@@H](C)N(CCO)[C@@H](C)C2)c1 ZINC000880808335 662973890 /nfs/dbraw/zinc/97/38/90/662973890.db2.gz WBDXUBRSILZXRI-TXEJJXNPSA-N 1 0 398.301 2.571 20 0 GFADRO O=C(c1cc(F)ccc1Br)N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000881470441 662995217 /nfs/dbraw/zinc/99/52/17/662995217.db2.gz RSJFYLYLSBQSLL-AWEZNQCLSA-N 1 0 385.277 2.961 20 0 GFADRO O=C(Cc1ccc(F)c(Br)c1)N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000881471133 662995222 /nfs/dbraw/zinc/99/52/22/662995222.db2.gz WRZQHCHXURZSAV-OAHLLOKOSA-N 1 0 399.304 2.890 20 0 GFADRO Cc1ccc(C(=O)N2CCC[C@H]([NH2+]C3CCOCC3)C2)c(Br)n1 ZINC000881473834 662995381 /nfs/dbraw/zinc/99/53/81/662995381.db2.gz AKRHMFLHQDOGOI-AWEZNQCLSA-N 1 0 382.302 2.526 20 0 GFADRO CC(C)n1ncc(C(=O)N2CCC[C@@H]([NH2+]C3CCOCC3)C2)c1Br ZINC000881478158 662995560 /nfs/dbraw/zinc/99/55/60/662995560.db2.gz MMCTZLVYWRMFIB-CQSZACIVSA-N 1 0 399.333 2.600 20 0 GFADRO COc1cc(C(=O)N2CCN(c3cc[nH+]cc3)[C@H](C)C2)cnc1Br ZINC000881634163 662998555 /nfs/dbraw/zinc/99/85/55/662998555.db2.gz WLXFAOWCJOOILY-GFCCVEGCSA-N 1 0 391.269 2.599 20 0 GFADRO O=S(=O)(CC[C@@H]1CC1(Cl)Cl)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000882006193 663013295 /nfs/dbraw/zinc/01/32/95/663013295.db2.gz LGZLIPDAJDZKNH-GZBFAFLISA-N 1 0 381.369 2.849 20 0 GFADRO C[C@@H](Nc1ccc2nnc(Br)n2n1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000882171596 663019515 /nfs/dbraw/zinc/01/95/15/663019515.db2.gz GSFKXKYEISIMGS-VXGBXAGGSA-N 1 0 379.306 2.952 20 0 GFADRO C[NH+]1CCC2(CCN(S(=O)(=O)c3cc4c(cc3Cl)CCC4=O)C2)CC1 ZINC000882345757 663025101 /nfs/dbraw/zinc/02/51/01/663025101.db2.gz LKGUFZMHXIQXBV-UHFFFAOYSA-N 1 0 382.913 2.575 20 0 GFADRO C[C@H](C[NH+](C)C)[C@H]1CCCCN1S(=O)(=O)c1c(Cl)nc2sccn21 ZINC000882431111 663027586 /nfs/dbraw/zinc/02/75/86/663027586.db2.gz IVXZEPVRANVFHL-VXGBXAGGSA-N 1 0 390.962 2.790 20 0 GFADRO CC1([NH+]2CCC2)CCN(C(=O)c2cc(Br)c3c(c2)OCCO3)CC1 ZINC000882504476 663029470 /nfs/dbraw/zinc/02/94/70/663029470.db2.gz XLIZKPTXRMATCU-UHFFFAOYSA-N 1 0 395.297 2.921 20 0 GFADRO C[NH+]1CCC2(CC1)CN(c1ccc([S@](=N)(=O)C(F)(F)F)cc1)CCO2 ZINC000882517762 663030222 /nfs/dbraw/zinc/03/02/22/663030222.db2.gz BHFBPHHEDIUOAA-VWLOTQADSA-N 1 0 377.432 2.913 20 0 GFADRO N=[S@@](=O)(c1ccc(N2CCC([N@@H+]3CC[C@H](O)C3)CC2)cc1)C(F)(F)F ZINC000882635584 663034329 /nfs/dbraw/zinc/03/43/29/663034329.db2.gz ILQMAIQYZSCDNJ-HWRSSNJWSA-N 1 0 377.432 2.647 20 0 GFADRO CC1([NH+]2CCC2)CCN(S(=O)(=O)Cc2ccccc2Br)CC1 ZINC000882768007 663041069 /nfs/dbraw/zinc/04/10/69/663041069.db2.gz MCFOJJZRKMZLTN-UHFFFAOYSA-N 1 0 387.343 2.839 20 0 GFADRO CS(=O)(=O)NCCC[NH2+]Cc1cc(F)ccc1Oc1cncc(Cl)c1 ZINC000882882722 663044482 /nfs/dbraw/zinc/04/44/82/663044482.db2.gz XOXTWKPAZUNABB-UHFFFAOYSA-N 1 0 387.864 2.695 20 0 GFADRO COC[C@@H]([NH2+]CCC(=O)Nc1ccc(Br)cc1)[C@H]1CCCOC1 ZINC000883184518 663051068 /nfs/dbraw/zinc/05/10/68/663051068.db2.gz YUIQVNHBVSJRLU-XJKSGUPXSA-N 1 0 385.302 2.809 20 0 GFADRO COC[C@@H]([NH2+]CC(=O)Nc1ccc(Br)cc1C)[C@@H]1CCCOC1 ZINC000883200879 663051285 /nfs/dbraw/zinc/05/12/85/663051285.db2.gz SSXUALBFHIHOLG-CZUORRHYSA-N 1 0 385.302 2.727 20 0 GFADRO COC[C@@H]([NH2+]Cc1cc(OC)c(OC)cc1Br)[C@@H]1CCCOC1 ZINC000883201976 663051306 /nfs/dbraw/zinc/05/13/06/663051306.db2.gz QTJNYDDVSRYDQV-IUODEOHRSA-N 1 0 388.302 2.998 20 0 GFADRO O=S1(=O)CCC[C@@H]1CC[NH2+]Cc1nc(-c2cccc(Br)c2)c[nH]1 ZINC000883299718 663052960 /nfs/dbraw/zinc/05/29/60/663052960.db2.gz CVKCKTCPXZFTAZ-CQSZACIVSA-N 1 0 398.326 2.896 20 0 GFADRO CN(Cc1cscc1Br)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000883331604 663053511 /nfs/dbraw/zinc/05/35/11/663053511.db2.gz AYRASAKDXGOKBH-OLZOCXBDSA-N 1 0 388.331 2.515 20 0 GFADRO Cc1nc(-c2ccc(S(=O)(=O)N(CC[NH3+])CC(F)(F)F)s2)cs1 ZINC000883472118 663055662 /nfs/dbraw/zinc/05/56/62/663055662.db2.gz OTOLQZSPXOCZHP-UHFFFAOYSA-N 1 0 385.458 2.692 20 0 GFADRO CC(=O)Nc1cc(F)c(S(=O)(=O)N(C)C2(C[NH3+])CCCCC2)cc1Cl ZINC000883476624 663055765 /nfs/dbraw/zinc/05/57/65/663055765.db2.gz VJSOIWFDZTXTLA-UHFFFAOYSA-N 1 0 391.896 2.720 20 0 GFADRO CCC1([NH3+])CCN(S(=O)(=O)c2cc(Br)c(C)cc2OC)CC1 ZINC000883483787 663056163 /nfs/dbraw/zinc/05/61/63/663056163.db2.gz UBVIHMGGRYUNOW-UHFFFAOYSA-N 1 0 391.331 2.658 20 0 GFADRO CN(C(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1)C1(C[NH3+])CCCCC1 ZINC000883524273 663056707 /nfs/dbraw/zinc/05/67/07/663056707.db2.gz TVARHQRNVPVAQK-UHFFFAOYSA-N 1 0 375.441 2.808 20 0 GFADRO C[NH2+]C[C@H]1CCCCN1C(=O)Nc1ccc(Br)c(C(=O)OC)c1 ZINC000883550850 663057060 /nfs/dbraw/zinc/05/70/60/663057060.db2.gz ACTCIXQKRDGULI-GFCCVEGCSA-N 1 0 384.274 2.842 20 0 GFADRO CCC1([NH3+])CCN(C(=O)C(=O)Nc2ccc(Cl)c(Br)c2)CC1 ZINC000883627983 663058428 /nfs/dbraw/zinc/05/84/28/663058428.db2.gz WDNBUBXOWBFBIO-UHFFFAOYSA-N 1 0 388.693 2.771 20 0 GFADRO Cc1noc([C@H]2CCCN(C(=O)[C@H]([NH3+])c3ccc(Br)cc3)C2)n1 ZINC000884007103 663063709 /nfs/dbraw/zinc/06/37/09/663063709.db2.gz PIKPBHYREKXPLK-GXTWGEPZSA-N 1 0 379.258 2.547 20 0 GFADRO C[NH2+][C@H]1CCCN(C(=O)c2cc(Br)nn2-c2ncccc2Cl)C1 ZINC000884021114 663063960 /nfs/dbraw/zinc/06/39/60/663063960.db2.gz RZLKEJFBQXYLCO-JTQLQIEISA-N 1 0 398.692 2.507 20 0 GFADRO C[C@H]1CN(C(=O)Cc2csc(-c3sccc3Br)n2)CC[NH2+]1 ZINC000884030972 663063980 /nfs/dbraw/zinc/06/39/80/663063980.db2.gz CFKOZTAJAJHJBW-VIFPVBQESA-N 1 0 386.340 2.997 20 0 GFADRO CC(C)c1ccc([C@H]([NH3+])CNC(=O)Cc2c(Br)cnn2C)cc1 ZINC000884025789 663063993 /nfs/dbraw/zinc/06/39/93/663063993.db2.gz ICUZRLUWIIVWOR-OAHLLOKOSA-N 1 0 379.302 2.665 20 0 GFADRO [NH3+][C@H](C(=O)NC[C@@H](CO)Cc1ccc(F)cc1)c1ccc(Br)cc1 ZINC000884080041 663064668 /nfs/dbraw/zinc/06/46/68/663064668.db2.gz IYBLYZWTTUSQCN-GUYCJALGSA-N 1 0 395.272 2.555 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CNC(=O)C(C)(C)[C@@H]([NH3+])C(C)C ZINC000884115150 663065340 /nfs/dbraw/zinc/06/53/40/663065340.db2.gz KEOBSFWLDILGJW-HNNXBMFYSA-N 1 0 384.318 2.822 20 0 GFADRO COCC[C@@H]([NH3+])C(=O)Nc1nc(-c2cc(Br)cs2)cs1 ZINC000884137457 663065787 /nfs/dbraw/zinc/06/57/87/663065787.db2.gz NAJUYPWOMUTYCP-MRVPVSSYSA-N 1 0 376.301 2.936 20 0 GFADRO O=C(NCc1cscc1Cl)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000884261922 663067686 /nfs/dbraw/zinc/06/76/86/663067686.db2.gz WSBGSNPHVXUPLT-MRXNPFEDSA-N 1 0 379.913 2.968 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)N[C@@H]1C[C@H]([NH3+])C1(C)C ZINC000884353978 663069479 /nfs/dbraw/zinc/06/94/79/663069479.db2.gz KAUCMUVVTLAFPG-UHOFOFEASA-N 1 0 384.567 2.593 20 0 GFADRO Cn1cc([C@@H]2CN(C(=O)c3sc4cccc(F)c4c3Cl)C[C@H]2[NH3+])cn1 ZINC000884371608 663069744 /nfs/dbraw/zinc/06/97/44/663069744.db2.gz RSCSQZVXIOXEIM-CMPLNLGQSA-N 1 0 378.860 2.994 20 0 GFADRO C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)c1cc(Br)nn1-c1ncccc1Cl ZINC000884390510 663069981 /nfs/dbraw/zinc/06/99/81/663069981.db2.gz XVICNLLAVAMGEY-ZJUUUORDSA-N 1 0 398.692 2.635 20 0 GFADRO COCC[C@@H]([NH3+])C(=O)N1CCN(c2cc(Cl)c(Cl)c(Cl)c2)CC1 ZINC000884393173 663070021 /nfs/dbraw/zinc/07/00/21/663070021.db2.gz WUDJAEQZXKDMPI-CYBMUJFWSA-N 1 0 380.703 2.659 20 0 GFADRO [NH3+][C@H](C(=O)N1CCO[C@H](CC(F)(F)F)C1)c1ccc(Br)cc1 ZINC000884419403 663070425 /nfs/dbraw/zinc/07/04/25/663070425.db2.gz PSXOCOVCSDHYEX-NEPJUHHUSA-N 1 0 381.192 2.629 20 0 GFADRO O=S(=O)(/C=C/c1ccccc1Br)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000884950188 663079257 /nfs/dbraw/zinc/07/92/57/663079257.db2.gz LXZPFPPKUBGJPV-UHUXCJHTSA-N 1 0 385.327 2.966 20 0 GFADRO O=S(=O)(Cc1ccc(Br)c(F)c1)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000884957609 663079676 /nfs/dbraw/zinc/07/96/76/663079676.db2.gz TYGYITQUZLBLLM-STQMWFEESA-N 1 0 391.306 2.634 20 0 GFADRO C[C@@H]1[C@H](C(=O)N2CCC[C@](O)(c3ccc(Br)cc3)C2)CC[N@@H+]1C ZINC000884969881 663081509 /nfs/dbraw/zinc/08/15/09/663081509.db2.gz SUZUMRQLHWPTAM-MZMPZRCHSA-N 1 0 381.314 2.599 20 0 GFADRO Cc1cnc(Cl)c(S(=O)(=O)N2C[C@@H](C[NH+](C)C)Oc3ccccc32)c1 ZINC000885056792 663083827 /nfs/dbraw/zinc/08/38/27/663083827.db2.gz GHXSOEXYYJVYPP-CYBMUJFWSA-N 1 0 381.885 2.561 20 0 GFADRO O=C(NC[C@@H]1CC[N@@H+]1C1CCOCC1)c1c(F)cc(Br)cc1F ZINC000885873803 663099853 /nfs/dbraw/zinc/09/98/53/663099853.db2.gz ZKIPPFFHUMSATO-LBPRGKRZSA-N 1 0 389.240 2.710 20 0 GFADRO C/C(=C\c1ccc(Br)o1)C(=O)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000885892709 663100756 /nfs/dbraw/zinc/10/07/56/663100756.db2.gz BFNFYOWWEMBVAH-IEZBTEQYSA-N 1 0 383.286 2.815 20 0 GFADRO O[C@H](CNCc1cc(Br)c(Br)s1)C[NH+]1CCCC1 ZINC000885940346 663101801 /nfs/dbraw/zinc/10/18/01/663101801.db2.gz HDAWQLWQTPSEPV-SECBINFHSA-N 1 0 398.164 2.819 20 0 GFADRO FC(F)(F)SCC[NH+]1CCC(c2nccc(N3CCOCC3)n2)CC1 ZINC000886290646 663107646 /nfs/dbraw/zinc/10/76/46/663107646.db2.gz KLBRMEWKSGCMEI-UHFFFAOYSA-N 1 0 376.448 2.746 20 0 GFADRO CC(C)(C)OC(=O)NC[C@@H]1C[N@H+](C[C@](C)(O)C(F)F)C[C@H]1C(F)(F)F ZINC000886314485 663108015 /nfs/dbraw/zinc/10/80/15/663108015.db2.gz ZNWJFGLYZJEHNL-RULNRJAQSA-N 1 0 376.366 2.638 20 0 GFADRO C[C@@H]1C[C@@]2(CC[C@@H](C[NH2+]Cc3cn4ccc(Br)cc4n3)O2)CO1 ZINC000886330719 663108286 /nfs/dbraw/zinc/10/82/86/663108286.db2.gz WHBQIFKLLVDTRP-PVUWLOKVSA-N 1 0 380.286 2.913 20 0 GFADRO COc1nsc(C[NH2+]C[C@@H]2CC[C@]3(CO[C@@H](C)[C@H]3C)O2)c1Br ZINC000886335989 663108572 /nfs/dbraw/zinc/10/85/72/663108572.db2.gz LAGDXJKVORHDPO-DZHLUBAWSA-N 1 0 391.331 2.976 20 0 GFADRO Cc1cc(S(=O)(=O)N(C)CCC[N@H+](C)Cc2ccncc2)cnc1Cl ZINC000886425201 663111228 /nfs/dbraw/zinc/11/12/28/663111228.db2.gz WKNMCNMIGFJCKZ-UHFFFAOYSA-N 1 0 382.917 2.581 20 0 GFADRO CC[C@@H]1CN(S(=O)(=O)Cc2ccc(Br)cc2C)CC[C@H]1[NH3+] ZINC000886885484 663123469 /nfs/dbraw/zinc/12/34/69/663123469.db2.gz XCKMFAYBEXBVQT-IUODEOHRSA-N 1 0 375.332 2.647 20 0 GFADRO Cc1nc(-c2ccc(S(=O)(=O)NC[C@@H]3C[NH2+]CCC3(F)F)s2)cs1 ZINC000886896944 663124077 /nfs/dbraw/zinc/12/40/77/663124077.db2.gz ZRUQKHAFJGPMDY-JTQLQIEISA-N 1 0 393.506 2.703 20 0 GFADRO CC(C)([NH3+])CCNC(=O)C(=O)Nc1cc(Br)c2ccccc2c1 ZINC000886986652 663127529 /nfs/dbraw/zinc/12/75/29/663127529.db2.gz JLORNTMHQYYRAV-UHFFFAOYSA-N 1 0 378.270 2.784 20 0 GFADRO CC(C)c1csc(NC(=O)C(=O)N(CC[NH3+])Cc2cccc(Cl)c2)n1 ZINC000887031493 663129634 /nfs/dbraw/zinc/12/96/34/663129634.db2.gz NGLCGGRRKCFZEY-UHFFFAOYSA-N 1 0 380.901 2.846 20 0 GFADRO Cc1sc(C[C@H](C)n2cc(Cl)cn2)nc1-c1cn([C@@H]2CC[NH2+]C2)nn1 ZINC000887446721 663146770 /nfs/dbraw/zinc/14/67/70/663146770.db2.gz IWBREEQCNDSFQY-GXFFZTMASA-N 1 0 377.905 2.898 20 0 GFADRO c1sc(C[C@@H]2CCCO2)nc1-c1cn(CCC[NH+]2CCSCC2)nn1 ZINC000887527587 663151097 /nfs/dbraw/zinc/15/10/97/663151097.db2.gz OHLBFJLUYKJNMM-AWEZNQCLSA-N 1 0 379.555 2.562 20 0 GFADRO Cn1cc(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)c(Br)n1 ZINC000887896779 663167951 /nfs/dbraw/zinc/16/79/51/663167951.db2.gz MWJUBBQNBGZBEW-UHFFFAOYSA-N 1 0 377.286 2.577 20 0 GFADRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)Nc1nc2ccc(Cl)nc2s1 ZINC000888789563 663216249 /nfs/dbraw/zinc/21/62/49/663216249.db2.gz RJSHQKBWRBAUGZ-JTQLQIEISA-N 1 0 383.905 2.654 20 0 GFADRO CC[C@H](Cc1cccc(Br)c1)C(=O)N1CCN(C)CC[N@H+](C)CC1 ZINC000888990698 663228711 /nfs/dbraw/zinc/22/87/11/663228711.db2.gz AHZDETMFOYXRHP-QGZVFWFLSA-N 1 0 396.373 2.724 20 0 GFADRO CCc1cc(C(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)ccc1Br ZINC000889741127 663261913 /nfs/dbraw/zinc/26/19/13/663261913.db2.gz AZSKGMWKZRJRIS-DLBZAZTESA-N 1 0 381.314 2.683 20 0 GFADRO C/C(=C\c1ccc(Br)o1)C(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000889743243 663262321 /nfs/dbraw/zinc/26/23/21/663262321.db2.gz MSSKHMMFLAEAMF-KPWZGGAESA-N 1 0 383.286 2.503 20 0 GFADRO O=C(CCc1cccc(F)c1Br)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000889749927 663262774 /nfs/dbraw/zinc/26/27/74/663262774.db2.gz KBBONCPVWHMZLY-HZPDHXFCSA-N 1 0 399.304 2.578 20 0 GFADRO Cc1ccc(Br)c(C)c1C(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000889750944 663262974 /nfs/dbraw/zinc/26/29/74/663262974.db2.gz OUAZYZWSKRFZJI-HOTGVXAUSA-N 1 0 381.314 2.737 20 0 GFADRO Cc1ccc(F)c(C(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)c1Br ZINC000889755862 663263874 /nfs/dbraw/zinc/26/38/74/663263874.db2.gz JBEPSDQMSYAHDF-UONOGXRCSA-N 1 0 385.277 2.568 20 0 GFADRO C[C@H](C(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO)c1cccc(Br)c1 ZINC000889757477 663263891 /nfs/dbraw/zinc/26/38/91/663263891.db2.gz VQLGCXGKFPKZJD-JQFCIGGWSA-N 1 0 381.314 2.610 20 0 GFADRO C[C@H](C(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO)c1cccc(Br)c1 ZINC000889757479 663263974 /nfs/dbraw/zinc/26/39/74/663263974.db2.gz VQLGCXGKFPKZJD-RRQGHBQHSA-N 1 0 381.314 2.610 20 0 GFADRO O=C(CCc1cc(Br)ccc1F)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000889762837 663264782 /nfs/dbraw/zinc/26/47/82/663264782.db2.gz KXJLHIRTSHBTPZ-DLBZAZTESA-N 1 0 399.304 2.578 20 0 GFADRO CC(C)(C(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO)c1cccc(Br)c1 ZINC000889770066 663265252 /nfs/dbraw/zinc/26/52/52/663265252.db2.gz PFPZISAETLZJMN-DLBZAZTESA-N 1 0 395.341 2.784 20 0 GFADRO Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)N1CCC([NH2+]C2CCC2)CC1 ZINC000889824528 663270496 /nfs/dbraw/zinc/27/04/96/663270496.db2.gz IAVJFSPPYJZUIL-UHFFFAOYSA-N 1 0 378.826 2.997 20 0 GFADRO C[C@@H](NC(=O)C(=O)Nc1cccc(F)c1Br)C(C)(C)C[NH+](C)C ZINC000890012522 663280970 /nfs/dbraw/zinc/28/09/70/663280970.db2.gz GTJGIJIRQQIWMK-SNVBAGLBSA-N 1 0 388.281 2.619 20 0 GFADRO CC1(C)CC[N@H+](CCNC(=O)c2cc(=O)c3cc(Br)ccc3[nH]2)C1 ZINC000890076176 663283454 /nfs/dbraw/zinc/28/34/54/663283454.db2.gz MPQLYFFUFIYEBF-UHFFFAOYSA-N 1 0 392.297 2.752 20 0 GFADRO O=C(Nc1cccc(F)c1Br)C(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000890314123 663295126 /nfs/dbraw/zinc/29/51/26/663295126.db2.gz GDRZGRNGZPIETN-UHFFFAOYSA-N 1 0 398.276 2.660 20 0 GFADRO CN(CC(C)(C)C[NH+](C)C)C(=O)[C@@H]1CCO[C@H]1c1cncc(Br)c1 ZINC000890879348 663315852 /nfs/dbraw/zinc/31/58/52/663315852.db2.gz QUUUBYJEMQZMIY-CVEARBPZSA-N 1 0 398.345 2.968 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)NCc2cccc(Br)c2)C[C@@H]1C(F)(F)F ZINC000891461013 663340269 /nfs/dbraw/zinc/34/02/69/663340269.db2.gz RSEPYEJSKYOENZ-PWSUYJOCSA-N 1 0 380.208 2.728 20 0 GFADRO C[NH+](C)[C@@H](CNc1nc(N)nc(C(F)(F)C(F)(F)F)n1)c1cccs1 ZINC000891489938 663341012 /nfs/dbraw/zinc/34/10/12/663341012.db2.gz OYJGESGXEBNPHV-ZETCQYMHSA-N 1 0 382.362 2.884 20 0 GFADRO O=C(NCc1cc2cc(Br)ccc2[nH]1)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000891803338 663350983 /nfs/dbraw/zinc/35/09/83/663350983.db2.gz KLIMJGTZNDNKOR-HOTGVXAUSA-N 1 0 377.286 2.966 20 0 GFADRO CN(C(=O)NCc1ccc(S(C)(=O)=O)c(Cl)c1)C1(C[NH3+])CCCCC1 ZINC000891856261 663353175 /nfs/dbraw/zinc/35/31/75/663353175.db2.gz PECZDQUEYONCDM-UHFFFAOYSA-N 1 0 387.933 2.547 20 0 GFADRO O=C(NC[C@@H]1C[NH2+]CCC1(F)F)N[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000891860668 663353177 /nfs/dbraw/zinc/35/31/77/663353177.db2.gz SEKQYRVWQDZKMH-FPMFFAJLSA-N 1 0 388.256 2.849 20 0 GFADRO C[C@@H](NC(=O)N1CCc2sc(C[NH3+])nc2C1)c1ccc(Br)cn1 ZINC000891867411 663353325 /nfs/dbraw/zinc/35/33/25/663353325.db2.gz OYXXIGVBTSSUEY-SECBINFHSA-N 1 0 396.314 2.588 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)NCCOc2ccc(Cl)c(F)c2)C[C@@H]1C(F)(F)F ZINC000891936412 663356078 /nfs/dbraw/zinc/35/60/78/663356078.db2.gz RMILJORFSHXRLP-KOLCDFICSA-N 1 0 383.773 2.637 20 0 GFADRO COC[C@H](NC(=O)N[C@@H]1CC12CC[NH2+]CC2)c1cccc(Br)c1 ZINC000892267346 663367870 /nfs/dbraw/zinc/36/78/70/663367870.db2.gz MKXXMTAIOTWAHL-LSDHHAIUSA-N 1 0 382.302 2.578 20 0 GFADRO COc1ccc([C@H](C)[NH2+][C@@H](C)[C@@H]2CCS(=O)(=O)C2)cc1Br ZINC000892469983 663374661 /nfs/dbraw/zinc/37/46/61/663374661.db2.gz VNOJWCWSGHOBLM-GMXVVIOVSA-N 1 0 376.316 2.932 20 0 GFADRO CC1(C)C[NH2+]CC[C@@H](NC(=O)N[C@@H](CO)c2cccc(Br)c2)C1 ZINC000892495294 663375411 /nfs/dbraw/zinc/37/54/11/663375411.db2.gz OXPXQLRSJKDXSA-CABCVRRESA-N 1 0 384.318 2.560 20 0 GFADRO CC1(C)C[NH2+]CC[C@@H](NC(=O)NC[C@H](O)c2cccc(Br)c2)C1 ZINC000892493461 663375446 /nfs/dbraw/zinc/37/54/46/663375446.db2.gz KDFQRDPMANGAIA-CABCVRRESA-N 1 0 384.318 2.560 20 0 GFADRO CN(C[C@H](O)c1ccccc1Br)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000892587746 663378145 /nfs/dbraw/zinc/37/81/45/663378145.db2.gz QIRFWFUJALLCAC-LOUJCGABSA-N 1 0 396.329 2.655 20 0 GFADRO CCOC(=O)c1ncc(Br)c(N(C)[C@H]2CC[N@H+](CC)[C@H](C)C2)n1 ZINC000892642057 663379494 /nfs/dbraw/zinc/37/94/94/663379494.db2.gz KRBIQIJVVJKLRB-NEPJUHHUSA-N 1 0 385.306 2.725 20 0 GFADRO COc1ccc(CNC(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3C)cc1Br ZINC000892650421 663379719 /nfs/dbraw/zinc/37/97/19/663379719.db2.gz IEJPSITUACFADX-GJZGRUSLSA-N 1 0 382.302 2.836 20 0 GFADRO COCCN(Cc1cc(Br)cs1)C(=O)NCCC(C)(C)[NH3+] ZINC000892854053 663386731 /nfs/dbraw/zinc/38/67/31/663386731.db2.gz RHVSUJNIXNLFJY-UHFFFAOYSA-N 1 0 378.336 2.796 20 0 GFADRO COCCN1CCC[C@@H]1C[NH2+]Cc1ccc(Br)cc1NC(C)=O ZINC000892864884 663387515 /nfs/dbraw/zinc/38/75/15/663387515.db2.gz BBUJOCOGTRISCS-MRXNPFEDSA-N 1 0 384.318 2.608 20 0 GFADRO O=C(NCCc1sccc1Br)NC[C@H]1C[NH2+]CCC1(F)F ZINC000892940149 663390505 /nfs/dbraw/zinc/39/05/05/663390505.db2.gz SBZAAUBCFVNUCR-SECBINFHSA-N 1 0 382.274 2.597 20 0 GFADRO O=C(O[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@@H]1Cc2ccc(Br)cc2C(=O)O1 ZINC000892962385 663391278 /nfs/dbraw/zinc/39/12/78/663391278.db2.gz MFJZKGPIGUMQGS-FMKPAKJESA-N 1 0 394.265 2.701 20 0 GFADRO Cn1cc(C[NH2+]C[C@@H](O)COc2ccccc2Br)c(C2CC2)n1 ZINC000893172138 663399961 /nfs/dbraw/zinc/39/99/61/663399961.db2.gz MVHITHAGHYADEG-CQSZACIVSA-N 1 0 380.286 2.590 20 0 GFADRO O=S(=O)(C[C@H](O)C[NH2+]C1CC(c2ccc(F)cc2F)C1)c1cccs1 ZINC000893182037 663400496 /nfs/dbraw/zinc/40/04/96/663400496.db2.gz PEPWYQGLHJVAQU-UXUKBGGZSA-N 1 0 387.473 2.697 20 0 GFADRO C[C@@H]1C[N@H+](CCCOC(=O)Cc2csc(CCC(F)(F)F)n2)CCO1 ZINC000893388378 663409365 /nfs/dbraw/zinc/40/93/65/663409365.db2.gz ZTFOEPDVBFAZKT-GFCCVEGCSA-N 1 0 380.432 2.835 20 0 GFADRO C[C@H]([NH2+]C[C@@H](c1cccc(C(F)(F)F)c1)N(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000893646367 663418800 /nfs/dbraw/zinc/41/88/00/663418800.db2.gz JFRGKECBABHXNX-BJJXKVORSA-N 1 0 378.460 2.721 20 0 GFADRO Cc1[nH+]ccc(N2CC[C@@H]3CN(C(=O)C(F)(F)F)C[C@@H]3C2)c1Br ZINC000894067311 663440385 /nfs/dbraw/zinc/44/03/85/663440385.db2.gz PUAUAGFJIZMWBF-MNOVXSKESA-N 1 0 392.219 3.000 20 0 GFADRO Cc1cc(C(=O)N2CCN(c3cc[nH+]c(C)c3Br)[C@H](C)C2)[nH]n1 ZINC000894143550 663445317 /nfs/dbraw/zinc/44/53/17/663445317.db2.gz HUXUUEZCQLXTAY-LLVKDONJSA-N 1 0 378.274 2.535 20 0 GFADRO Cn1nc(Br)nc1CNC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000894209183 663448646 /nfs/dbraw/zinc/44/86/46/663448646.db2.gz POWRNFRNLVTQIE-GFCCVEGCSA-N 1 0 384.347 2.641 20 0 GFADRO Cn1nc(Br)nc1CNC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000894209135 663448814 /nfs/dbraw/zinc/44/88/14/663448814.db2.gz NYLMNNGDUFYVDR-HNNXBMFYSA-N 1 0 378.318 2.579 20 0 GFADRO COc1ccc(CC[NH2+]Cc2nc(Br)nn2C)cc1OC(F)F ZINC000894213222 663448973 /nfs/dbraw/zinc/44/89/73/663448973.db2.gz MZGGBHDWOSARAX-UHFFFAOYSA-N 1 0 391.216 2.520 20 0 GFADRO CN(C)C(=O)[C@@H]1CCCN1CCC[NH2+]Cc1cc2ccnc(Cl)c2s1 ZINC000894212474 663449145 /nfs/dbraw/zinc/44/91/45/663449145.db2.gz BLGQHLJIOWBVJB-HNNXBMFYSA-N 1 0 380.945 2.982 20 0 GFADRO CC(C)(C)OC(=O)NCCC[NH2+]Cc1sc(N2CCOCC2)nc1Cl ZINC000894236822 663450041 /nfs/dbraw/zinc/45/00/41/663450041.db2.gz DCKIRSLEAXQAOT-UHFFFAOYSA-N 1 0 390.937 2.638 20 0 GFADRO COc1ccc(C(C)(C)C[NH2+]Cc2nc(Br)nn2C)cc1OC ZINC000894231006 663450118 /nfs/dbraw/zinc/45/01/18/663450118.db2.gz UQGXDZGHKYGLDG-UHFFFAOYSA-N 1 0 383.290 2.662 20 0 GFADRO COC(=O)[C@H]1[C@@H](C[NH2+]Cc2cc(Br)c(OC)c(OC)c2)C1(F)F ZINC000894244255 663450738 /nfs/dbraw/zinc/45/07/38/663450738.db2.gz WJLIRNRJKOSKJN-BXKDBHETSA-N 1 0 394.212 2.610 20 0 GFADRO CC(C)C[C@@H]1C[C@@H]([NH2+]Cc2c(I)cnn2C)CCO1 ZINC000894376419 663459003 /nfs/dbraw/zinc/45/90/03/663459003.db2.gz QXXXIXCIAUEDHD-NWDGAFQWSA-N 1 0 377.270 2.708 20 0 GFADRO CCc1nnc(NC(=O)[C@H](C)[C@H](C)[NH2+]Cc2ccsc2C(=O)OC)s1 ZINC000894440520 663461754 /nfs/dbraw/zinc/46/17/54/663461754.db2.gz YXSHLYOFVIFMRJ-ZJUUUORDSA-N 1 0 382.511 2.702 20 0 GFADRO CCc1nnc(NC(=O)[C@H](C)[C@@H](C)[NH2+]Cc2ccsc2C(=O)OC)s1 ZINC000894440517 663461810 /nfs/dbraw/zinc/46/18/10/663461810.db2.gz YXSHLYOFVIFMRJ-NXEZZACHSA-N 1 0 382.511 2.702 20 0 GFADRO COC(=O)c1cnc(C[NH2+]C[C@H](CO)Cc2cccc(Br)c2)s1 ZINC000894562636 663469030 /nfs/dbraw/zinc/46/90/30/663469030.db2.gz VBZLINLMZMBREQ-GFCCVEGCSA-N 1 0 399.310 2.633 20 0 GFADRO COc1ccc(C[C@H](CO)C[NH2+]Cc2c(C)ccnc2N)cc1Br ZINC000894918959 663488109 /nfs/dbraw/zinc/48/81/09/663488109.db2.gz ZGNNTYZRCYLHTQ-AWEZNQCLSA-N 1 0 394.313 2.684 20 0 GFADRO C[NH+](C)Cc1ccc(NC(=O)C[C@@H]2C=CS(=O)(=O)C2)cc1C(F)(F)F ZINC000894980464 663492980 /nfs/dbraw/zinc/49/29/80/663492980.db2.gz PYEQQRULBMXOTA-NSHDSACASA-N 1 0 376.400 2.654 20 0 GFADRO CC(C)[C@@H](C[NH2+]Cc1ccc(S(C)(=O)=O)s1)ONC(=O)OC(C)(C)C ZINC000895031321 663496313 /nfs/dbraw/zinc/49/63/13/663496313.db2.gz ONCKHZNHJQNCBW-CYBMUJFWSA-N 1 0 392.543 2.722 20 0 GFADRO C[N@H+](CCCCNC(=O)N[C@](C)(CO)c1cccc(Br)c1)C1CC1 ZINC000895283688 663506743 /nfs/dbraw/zinc/50/67/43/663506743.db2.gz ZZLCZEJBVBWWFM-GOSISDBHSA-N 1 0 398.345 2.830 20 0 GFADRO C[C@H]1CN(Cc2cnn3cc(Br)cnc23)CCN1c1cc[nH+]cc1 ZINC000895556068 663518892 /nfs/dbraw/zinc/51/88/92/663518892.db2.gz GLTXCLHJYFPPRZ-ZDUSSCGKSA-N 1 0 387.285 2.598 20 0 GFADRO CC(C)(C)OC(=O)N1CC[C@](C)(C[NH2+]C[C@@H](O)C(F)(F)C(F)(F)F)C1 ZINC000895678891 663522884 /nfs/dbraw/zinc/52/28/84/663522884.db2.gz XVTLZJUAJFXMFN-ZWNOBZJWSA-N 1 0 376.366 2.782 20 0 GFADRO CC[C@@H](CO)Nc1cc(N2CCC[C@H]2c2ncc(Br)cn2)ncn1 ZINC000895712069 663524753 /nfs/dbraw/zinc/52/47/53/663524753.db2.gz XZIBWOPVGPJPQX-STQMWFEESA-N 1 0 393.289 2.553 20 0 GFADRO C[C@@H]1[C@H](C)OC[C@]12CC[C@@H](C[NH2+]Cc1cnn3cc(Br)cnc13)O2 ZINC000895820343 663528569 /nfs/dbraw/zinc/52/85/69/663528569.db2.gz NTDGFPBCAWEQQE-PZNPJNSTSA-N 1 0 395.301 2.554 20 0 GFADRO OCCOCC1(O)CC[NH+](Cc2cc3cc(Br)ccc3o2)CC1 ZINC000895829252 663529281 /nfs/dbraw/zinc/52/92/81/663529281.db2.gz ODHDTIVCYDSYFZ-UHFFFAOYSA-N 1 0 384.270 2.531 20 0 GFADRO Cn1nc(Br)c2c1ncnc2N[C@H](CC[NH+](C)C)c1cccnc1 ZINC000895893299 663532313 /nfs/dbraw/zinc/53/23/13/663532313.db2.gz VYTKRZYUVBHZPZ-GFCCVEGCSA-N 1 0 390.289 2.626 20 0 GFADRO O=C(NCc1ccc(C(F)(F)F)s1)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000896294755 663549630 /nfs/dbraw/zinc/54/96/30/663549630.db2.gz VBCMUDRUMCWIMQ-STQMWFEESA-N 1 0 377.432 2.508 20 0 GFADRO COC(=O)c1ccc(CNCc2cc(N(C)C)cc[nH+]2)cc1Br ZINC000896299165 663549662 /nfs/dbraw/zinc/54/96/62/663549662.db2.gz VANNRZTTXCXAKK-UHFFFAOYSA-N 1 0 378.270 2.987 20 0 GFADRO O=C(N[C@@H]1CCN(c2ccccc2Br)C1)[C@@]12CC[N@H+](C1)CCC2 ZINC000896305452 663550162 /nfs/dbraw/zinc/55/01/62/663550162.db2.gz QQOICMMPMLQVIK-KDOFPFPSSA-N 1 0 378.314 2.630 20 0 GFADRO C[C@@]1(Br)C[C@H]1C[NH+]1CCC2(CC1)CNC(=O)c1ccccc1O2 ZINC000896445259 663557750 /nfs/dbraw/zinc/55/77/50/663557750.db2.gz UCNCOXHPYRTEIQ-SUMWQHHRSA-N 1 0 379.298 2.817 20 0 GFADRO O=C(c1nn2c(c1Br)CCC2)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000896499083 663559376 /nfs/dbraw/zinc/55/93/76/663559376.db2.gz HYFLNXFXSVTELS-UHFFFAOYSA-N 1 0 381.318 2.682 20 0 GFADRO C[C@H](NC(=O)c1oc2ccccc2c1Br)[C@@H]1C[N@H+](C)CCN1C ZINC000896528813 663561111 /nfs/dbraw/zinc/56/11/11/663561111.db2.gz VPAYEDWTCDJBLQ-AAEUAGOBSA-N 1 0 380.286 2.559 20 0 GFADRO C[C@H](NC(=O)C1(Cc2ccccc2Br)CC1)[C@@H]1C[N@H+](C)CCN1C ZINC000896539584 663561943 /nfs/dbraw/zinc/56/19/43/663561943.db2.gz RGVQXLDSFJIIME-YOEHRIQHSA-N 1 0 394.357 2.522 20 0 GFADRO C[C@H](NC(=O)C1(Cc2ccccc2Br)CC1)[C@H]1C[N@H+](C)CCN1C ZINC000896539583 663561961 /nfs/dbraw/zinc/56/19/61/663561961.db2.gz RGVQXLDSFJIIME-WMLDXEAASA-N 1 0 394.357 2.522 20 0 GFADRO Cc1c2cc(Br)ccc2oc1C(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCN1C ZINC000896580715 663566016 /nfs/dbraw/zinc/56/60/16/663566016.db2.gz FACLBMXNYJLYQY-SWLSCSKDSA-N 1 0 394.313 2.868 20 0 GFADRO C[C@@H](NC(=O)CSc1cc(Cl)ccc1Cl)[C@@H]1C[N@H+](C)CCN1C ZINC000896582167 663566159 /nfs/dbraw/zinc/56/61/59/663566159.db2.gz UXBWBESZTNJZBQ-RISCZKNCSA-N 1 0 376.353 2.836 20 0 GFADRO CO[C@@]1(C[NH2+][C@@H](C)COc2ccc(Cl)c(Cl)c2)CCS(=O)(=O)C1 ZINC000896682244 663571321 /nfs/dbraw/zinc/57/13/21/663571321.db2.gz JXPUSHHVTRNFMO-XHDPSFHLSA-N 1 0 382.309 2.554 20 0 GFADRO C[C@@H](C[NH+]1CCC2(CC1)C[C@H](O)CNC2=O)c1cccc(Br)c1 ZINC000897044364 663587955 /nfs/dbraw/zinc/58/79/55/663587955.db2.gz YRBNJJBMWFVVFM-BBRMVZONSA-N 1 0 381.314 2.516 20 0 GFADRO OCC[N@@H+]1CCC[C@H]2[C@@H]1CCN2c1ncc(Br)cc1C(F)(F)F ZINC000897220128 663595299 /nfs/dbraw/zinc/59/52/99/663595299.db2.gz SWNDPBSBILTSTL-STQMWFEESA-N 1 0 394.235 2.898 20 0 GFADRO Cc1cc(Br)cn2c(C[NH+]3CCC4(CC3)C[C@@H](O)CCO4)cnc12 ZINC000897260857 663597196 /nfs/dbraw/zinc/59/71/96/663597196.db2.gz PSSWRHXYZNSLQZ-INIZCTEOSA-N 1 0 394.313 2.911 20 0 GFADRO O=C(C1C[NH+](C2CCOCC2)C1)N1CCc2cc(Br)cc(F)c2C1 ZINC000897307481 663600010 /nfs/dbraw/zinc/60/00/10/663600010.db2.gz PSRYKFRWOVUNAZ-UHFFFAOYSA-N 1 0 397.288 2.584 20 0 GFADRO CC[C@@](O)(CCC(F)(F)F)C[NH2+]Cc1ccc(S(N)(=O)=O)c(Cl)c1 ZINC000897520052 663608281 /nfs/dbraw/zinc/60/82/81/663608281.db2.gz ZIIFRZSGSZXDPE-CYBMUJFWSA-N 1 0 388.839 2.561 20 0 GFADRO CO[C@@H]1CCOC[C@H]1[NH2+]Cc1cn(-c2ccccc2Br)nc1C ZINC000897890008 663624504 /nfs/dbraw/zinc/62/45/04/663624504.db2.gz DTOAHYFHJAYSEC-NVXWUHKLSA-N 1 0 380.286 2.837 20 0 GFADRO Cc1c(Br)cncc1C[NH2+]C1(C(=O)N2CCOCC2)CCCCC1 ZINC000897893597 663624725 /nfs/dbraw/zinc/62/47/25/663624725.db2.gz SUQOGHYAFPSMIX-UHFFFAOYSA-N 1 0 396.329 2.804 20 0 GFADRO C[N@@H+]1CC[C@H](NC(=O)C(=O)NCc2cscc2Cl)[C@@H]1c1ccccc1 ZINC000897923762 663625795 /nfs/dbraw/zinc/62/57/95/663625795.db2.gz GSXJZCJBMHWLJM-HOTGVXAUSA-N 1 0 377.897 2.579 20 0 GFADRO Cc1cc(Br)cc(C[NH2+]CCCc2nnnn2C)c1OC(F)F ZINC000898040562 663631076 /nfs/dbraw/zinc/63/10/76/663631076.db2.gz WZCYQKSXMIFKLR-UHFFFAOYSA-N 1 0 390.232 2.605 20 0 GFADRO CC1(C)CCC[C@@H](C[NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)O1 ZINC000898047367 663631264 /nfs/dbraw/zinc/63/12/64/663631264.db2.gz YIKPIPHYAKUVGE-LBPRGKRZSA-N 1 0 391.331 2.534 20 0 GFADRO Cn1cc([C@@]2(C[NH2+]Cc3cnc4ccc(Br)cn34)CCCO2)cn1 ZINC000898059044 663631503 /nfs/dbraw/zinc/63/15/03/663631503.db2.gz WTYSDUORNSSYCN-KRWDZBQOSA-N 1 0 390.285 2.626 20 0 GFADRO O=C(c1cc2sccc2nc1Cl)N1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000898110347 663633752 /nfs/dbraw/zinc/63/37/52/663633752.db2.gz QBROKIWIRISNGJ-UHFFFAOYSA-N 1 0 379.913 2.916 20 0 GFADRO Cc1c(Br)scc1C(=O)N1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000898113785 663634269 /nfs/dbraw/zinc/63/42/69/663634269.db2.gz BEPKPDSXSLXGJZ-UHFFFAOYSA-N 1 0 387.343 2.786 20 0 GFADRO Cc1cc(C[NH2+][C@H]2CCN(c3cc(=O)[nH]cn3)C2)c(Br)cc1F ZINC000898150495 663635353 /nfs/dbraw/zinc/63/53/53/663635353.db2.gz YGJWTYFNKKKLHM-LBPRGKRZSA-N 1 0 381.249 2.761 20 0 GFADRO Cc1cc(C[NH2+][C@@H]2CCN(c3cc(=O)[nH]cn3)C2)c(Br)cc1F ZINC000898150494 663635555 /nfs/dbraw/zinc/63/55/55/663635555.db2.gz YGJWTYFNKKKLHM-GFCCVEGCSA-N 1 0 381.249 2.761 20 0 GFADRO CN(C)c1cc(Cl)cc(Cl)c1C[NH2+][C@@H]1CCN(c2cc(=O)[nH]cn2)C1 ZINC000898152326 663635987 /nfs/dbraw/zinc/63/59/87/663635987.db2.gz FVRHEGMGOZUIEI-GFCCVEGCSA-N 1 0 382.295 2.924 20 0 GFADRO C[C@H](Cc1ccc(F)cc1Br)[NH2+][C@@H]1CCN(c2cc(=O)[nH]cn2)C1 ZINC000898152665 663636040 /nfs/dbraw/zinc/63/60/40/663636040.db2.gz NBAPUPQLTDFXCO-BXUZGUMPSA-N 1 0 395.276 2.883 20 0 GFADRO CN(C)[S@@](C)(=O)=NCC1CC[NH+](Cc2c[nH]nc2-c2cccs2)CC1 ZINC000898398432 663648222 /nfs/dbraw/zinc/64/82/22/663648222.db2.gz FSBYFNDIHIDPEK-VWLOTQADSA-N 1 0 381.571 2.925 20 0 GFADRO C[NH+](C)CCN(Cc1ccsc1)C(=O)C(=O)NCc1cscc1Cl ZINC000898587595 663657290 /nfs/dbraw/zinc/65/72/90/663657290.db2.gz WOUJJZFHJWQQAS-UHFFFAOYSA-N 1 0 385.942 2.670 20 0 GFADRO COc1cc(C(=O)NC2CC[NH+](C3CCOCC3)CC2)ccc1Br ZINC000898640205 663658690 /nfs/dbraw/zinc/65/86/90/663658690.db2.gz JHCKSPOQBASHBE-UHFFFAOYSA-N 1 0 397.313 2.831 20 0 GFADRO Cc1ccc(C(=O)NC2CC[NH+](C3CCOCC3)CC2)c(Br)n1 ZINC000898634463 663658701 /nfs/dbraw/zinc/65/87/01/663658701.db2.gz XFUNTMYYSGBXLG-UHFFFAOYSA-N 1 0 382.302 2.526 20 0 GFADRO CCOC(=O)c1[nH]c(C)c(C[NH2+][C@H]2CCc3ncc(Br)n3C2)c1C ZINC000898720254 663660571 /nfs/dbraw/zinc/66/05/71/663660571.db2.gz KWGQPEJEXZLVMB-LBPRGKRZSA-N 1 0 395.301 2.872 20 0 GFADRO C[C@@H](CC(=O)Nc1ccccc1)[NH2+][C@@H]1CCc2ncc(Br)n2C1 ZINC000898723699 663660987 /nfs/dbraw/zinc/66/09/87/663660987.db2.gz HPEXNOFBRSTALD-GXTWGEPZSA-N 1 0 377.286 2.967 20 0 GFADRO Cn1c(=O)sc2cc(C[NH2+][C@@H]3CCc4ncc(Br)n4C3)ccc21 ZINC000898724229 663661253 /nfs/dbraw/zinc/66/12/53/663661253.db2.gz MGTBADQQCDNAEO-LLVKDONJSA-N 1 0 393.310 2.664 20 0 GFADRO Brc1cnc2n1C[C@H]([NH2+]C1CCN(Cc3ccccn3)CC1)CC2 ZINC000898724264 663661314 /nfs/dbraw/zinc/66/13/14/663661314.db2.gz MZUWRDGOSOEMSX-MRXNPFEDSA-N 1 0 390.329 2.610 20 0 GFADRO O=C(C1C[NH+](C2CCOCC2)C1)N1CCc2ccc(F)c(Br)c2C1 ZINC000899129105 663677164 /nfs/dbraw/zinc/67/71/64/663677164.db2.gz YDAJPJHAXBPWEQ-UHFFFAOYSA-N 1 0 397.288 2.584 20 0 GFADRO C[N@@H+]1CCC[C@@](O)(CC(=O)Nc2cc(Br)ccc2NC2CC2)C1 ZINC000900911801 663723721 /nfs/dbraw/zinc/72/37/21/663723721.db2.gz CRMHRNZOZNHBNC-QGZVFWFLSA-N 1 0 382.302 2.809 20 0 GFADRO Cc1cccc(NC(=O)[C@@H](C)[NH2+][C@H]2CCc3ncc(Br)n3C2)c1 ZINC000901726778 663743532 /nfs/dbraw/zinc/74/35/32/663743532.db2.gz AUTGQEMNBAYTRJ-OCCSQVGLSA-N 1 0 377.286 2.886 20 0 GFADRO O=S1(=O)CC[C@H](NC[C@@H]2CCCCC[NH2+]2)c2cc(Br)ccc21 ZINC000902481151 663761828 /nfs/dbraw/zinc/76/18/28/663761828.db2.gz AFHZBTDOFIAKSB-ZFWWWQNUSA-N 1 0 387.343 2.789 20 0 GFADRO C[C@H]([NH2+]C[C@]1(N2CCOCC2)CCSC1)c1ccc(C(F)(F)F)cn1 ZINC000902765795 663767271 /nfs/dbraw/zinc/76/72/71/663767271.db2.gz BZKNYTIFZUPTDE-XJKSGUPXSA-N 1 0 375.460 2.959 20 0 GFADRO CCC1([NH+]2CCC2)CCN(C(=O)c2nc3ccc(Br)cn3n2)CC1 ZINC000902776551 663767306 /nfs/dbraw/zinc/76/73/06/663767306.db2.gz QZWGKANGJCQXJD-UHFFFAOYSA-N 1 0 392.301 2.582 20 0 GFADRO CC(C)C[C@H]([NH2+]CC1CCN(S(=O)(=O)C(F)F)CC1)C1CCOCC1 ZINC000902866186 663768737 /nfs/dbraw/zinc/76/87/37/663768737.db2.gz UDIYUYHJZOYENY-INIZCTEOSA-N 1 0 382.517 2.682 20 0 GFADRO Brc1ccc(-n2cc(C[NH2+][C@@H]3CCO[C@]34CCOC4)cn2)cc1 ZINC000903160759 663776433 /nfs/dbraw/zinc/77/64/33/663776433.db2.gz MYNUJSAVLUUOSO-SJORKVTESA-N 1 0 378.270 2.672 20 0 GFADRO C[C@H]([NH2+]CC1(S(C)(=O)=O)CCC1)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000903164282 663776626 /nfs/dbraw/zinc/77/66/26/663776626.db2.gz KSYVZKOFRAMNBM-NSHDSACASA-N 1 0 399.456 2.598 20 0 GFADRO C[C@@H]([NH2+]CCN1Cc2ccccc2OCC1=O)c1ccc(Br)nc1 ZINC000903180845 663777338 /nfs/dbraw/zinc/77/73/38/663777338.db2.gz KUUQIPPGZONNFE-CYBMUJFWSA-N 1 0 390.281 2.916 20 0 GFADRO C[C@@H]([NH2+]CCN1Cc2ccccc2OCC1=O)c1ccc(Br)cn1 ZINC000903181605 663777351 /nfs/dbraw/zinc/77/73/51/663777351.db2.gz RUNPVQILMVUIEQ-CYBMUJFWSA-N 1 0 390.281 2.916 20 0 GFADRO CC(C)(C)NS(=O)(=O)C1(C[NH2+][C@@H]2CC[C@@H]3SCCS[C@H]23)CCC1 ZINC000903189458 663777606 /nfs/dbraw/zinc/77/76/06/663777606.db2.gz XEOPWUFZSMWANJ-HZSPNIEDSA-N 1 0 378.629 2.596 20 0 GFADRO C[C@H]([NH2+]CC[C@@H]1CC(=O)N(C)C1)c1ccc(F)c(I)c1 ZINC000903211923 663778600 /nfs/dbraw/zinc/77/86/00/663778600.db2.gz UWGFFBXGEGQZIR-WDEREUQCSA-N 1 0 390.240 2.949 20 0 GFADRO CC[C@H]([NH2+]C[C@@]1(OC)CCSC1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000903314331 663781242 /nfs/dbraw/zinc/78/12/42/663781242.db2.gz LXYVLWLOJXBJNH-HOCLYGCPSA-N 1 0 392.974 2.811 20 0 GFADRO CCCCC1([NH2+][C@@H](C)c2cccc(N(S(C)(=O)=O)S(C)(=O)=O)c2)CC1 ZINC000903311358 663781279 /nfs/dbraw/zinc/78/12/79/663781279.db2.gz OQYZBLPVHKOALU-AWEZNQCLSA-N 1 0 388.555 2.786 20 0 GFADRO CO[C@]1(C[NH2+][C@@H](C)c2ccc(Br)c(Cl)c2)CCS(=O)(=O)C1 ZINC000903363294 663782672 /nfs/dbraw/zinc/78/26/72/663782672.db2.gz NLRGHGOOHHFJRD-HZMBPMFUSA-N 1 0 396.734 2.957 20 0 GFADRO COc1cc([C@H](C)[NH2+]C[C@]2(OC)CCS(=O)(=O)C2)ccc1SC(F)F ZINC000903367420 663783124 /nfs/dbraw/zinc/78/31/24/663783124.db2.gz ISHBSCZYUQMMPB-MEDUHNTESA-N 1 0 395.493 2.864 20 0 GFADRO C[C@H]1C[C@H]([NH2+]CCCn2ccc(=O)[nH]c2=O)c2cccc(Br)c21 ZINC000903432010 663784509 /nfs/dbraw/zinc/78/45/09/663784509.db2.gz FHIRDUKHGMFCSS-FZMZJTMJSA-N 1 0 378.270 2.940 20 0 GFADRO C[C@@H](NS(=O)(=O)Cc1cccc(Cl)c1Br)[C@@H]1CCC[NH2+]C1 ZINC000903513220 663786268 /nfs/dbraw/zinc/78/62/68/663786268.db2.gz YQSCRACMKJZFJR-GHMZBOCLSA-N 1 0 395.750 2.910 20 0 GFADRO C[C@H](C(=O)Nc1ccc(Br)cc1)N1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903517425 663786732 /nfs/dbraw/zinc/78/67/32/663786732.db2.gz AXZLTWQLMPBQPL-GGZOMVNGSA-N 1 0 380.208 2.598 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CN1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903517496 663786771 /nfs/dbraw/zinc/78/67/71/663786771.db2.gz DSGYWMBASNYWQN-GHMZBOCLSA-N 1 0 380.208 2.517 20 0 GFADRO C[C@H](C(=O)Nc1ccccc1Br)N1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903518439 663786864 /nfs/dbraw/zinc/78/68/64/663786864.db2.gz NVSGAQCGUZNHLO-FXPVBKGRSA-N 1 0 380.208 2.598 20 0 GFADRO Cc1cc(Br)c(S(=O)(=O)N2CCC[C@@H]3CC[C@@]32C[NH3+])s1 ZINC000903536345 663787732 /nfs/dbraw/zinc/78/77/32/663787732.db2.gz BIKONFIGILJLPN-ZWNOBZJWSA-N 1 0 379.345 2.711 20 0 GFADRO [NH3+][C@H]1CN(S(=O)(=O)c2ccc(F)c(C(F)F)c2)CC[C@@H]1C(F)(F)F ZINC000903581630 663790448 /nfs/dbraw/zinc/79/04/48/663790448.db2.gz ORSALSMIQMHHKR-ONGXEEELSA-N 1 0 376.322 2.664 20 0 GFADRO [NH3+]C[C@@H]1Cc2cc(F)ccc2N(S(=O)(=O)c2ccc(Br)o2)C1 ZINC000903588581 663790660 /nfs/dbraw/zinc/79/06/60/663790660.db2.gz LEIWLWBJDDAQRI-VIFPVBQESA-N 1 0 389.246 2.508 20 0 GFADRO [NH3+]C[C@H]1Cc2cc(F)ccc2N(S(=O)(=O)c2ccccc2Br)C1 ZINC000903589110 663790882 /nfs/dbraw/zinc/79/08/82/663790882.db2.gz SXITWTJUUGKKJM-LLVKDONJSA-N 1 0 399.285 2.915 20 0 GFADRO O=S(=O)(c1ccc(Br)cc1Cl)N1CCC[C@@]12CC[NH2+]C2 ZINC000903596040 663791296 /nfs/dbraw/zinc/79/12/96/663791296.db2.gz OEKNXPSACPKVEM-ZDUSSCGKSA-N 1 0 379.707 2.619 20 0 GFADRO C[NH+](C)CCOc1ccc(CCC(=O)Nc2cnc(Br)cn2)cc1 ZINC000903636716 663795400 /nfs/dbraw/zinc/79/54/00/663795400.db2.gz MBLOQIYLWNYGEZ-UHFFFAOYSA-N 1 0 393.285 2.751 20 0 GFADRO Brc1cccc([C@@H]2COCCN2C[C@H]2CC3(CO2)CC[NH2+]CC3)c1 ZINC000903767293 663806110 /nfs/dbraw/zinc/80/61/10/663806110.db2.gz VLJNCWNNUKPFRH-MSOLQXFVSA-N 1 0 395.341 2.981 20 0 GFADRO Brc1cccc([C@@H]2COCCN2C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)c1 ZINC000903767604 663806370 /nfs/dbraw/zinc/80/63/70/663806370.db2.gz XLCZHGJFFRPDIR-BZSNNMDCSA-N 1 0 381.314 2.591 20 0 GFADRO CS(=O)(=O)c1ccc(-c2nc(CN3CC[C@@H]4CC[C@]43C[NH3+])cs2)cc1 ZINC000903856098 663809083 /nfs/dbraw/zinc/80/90/83/663809083.db2.gz PWHYDTUFSAQESZ-KSSFIOAISA-N 1 0 377.535 2.527 20 0 GFADRO CN(Cc1cnnn1[C@H]1CCC[NH2+]C1)Cc1ccc(Br)c(F)c1 ZINC000903912897 663811160 /nfs/dbraw/zinc/81/11/60/663811160.db2.gz JSIAJMFDEKLNKS-ZDUSSCGKSA-N 1 0 382.281 2.736 20 0 GFADRO COc1cc(Br)c(CNC[C@@H]2C[NH2+]CCC2(F)F)cc1OC ZINC000903955447 663813674 /nfs/dbraw/zinc/81/36/74/663813674.db2.gz RUMUYSSWYMNWEJ-NSHDSACASA-N 1 0 379.245 2.801 20 0 GFADRO O=S1(=O)CCNC[C@@H]1CC[NH2+]Cc1cc(Cl)ccc1OC1CCCC1 ZINC000903968847 663814074 /nfs/dbraw/zinc/81/40/74/663814074.db2.gz PAPVNJKZFAGZKR-KRWDZBQOSA-N 1 0 386.945 2.528 20 0 GFADRO O=C1O[C@@H](c2nc(C3CC[NH2+]CC3)no2)Cc2ccc(Br)cc21 ZINC000904073383 663822512 /nfs/dbraw/zinc/82/25/12/663822512.db2.gz MZJLAJSOMUARFV-CYBMUJFWSA-N 1 0 378.226 2.753 20 0 GFADRO Brc1ccccc1-n1nncc1-c1nc(C2CC[NH2+]CC2)no1 ZINC000904073364 663822543 /nfs/dbraw/zinc/82/25/43/663822543.db2.gz MLTWAVBDIQLFLA-UHFFFAOYSA-N 1 0 375.230 2.547 20 0 GFADRO CCOc1ccc([C@@]2(c3nc(N4CC[NH2+]CC4)no3)CC2(Cl)Cl)cc1 ZINC000904126988 663825642 /nfs/dbraw/zinc/82/56/42/663825642.db2.gz ZOIREHVYGREVIY-MRXNPFEDSA-N 1 0 383.279 2.742 20 0 GFADRO O=C(Nc1cc2c(cc1Br)OCCO2)N1CCC[C@@]12CC[NH2+]C2 ZINC000904278916 663829906 /nfs/dbraw/zinc/82/99/06/663829906.db2.gz MVFMZSQTDNOOGT-INIZCTEOSA-N 1 0 382.258 2.580 20 0 GFADRO COC[C@@H]1C[NH2+]CCN1C(=O)Nc1ccc(Cl)cc1OCC(F)(F)F ZINC000904340972 663830919 /nfs/dbraw/zinc/83/09/19/663830919.db2.gz GZDQXDRCLZSLIJ-NSHDSACASA-N 1 0 381.782 2.733 20 0 GFADRO Cc1nn(C)c(CN2CCC(C[NH3+])(c3ccccc3)CC2)c1Br ZINC000904459864 663835038 /nfs/dbraw/zinc/83/50/38/663835038.db2.gz ZBDKFKBJUQHYHS-UHFFFAOYSA-N 1 0 377.330 2.984 20 0 GFADRO COCC[C@H]1C[NH2+]CCN1C(=O)Nc1cccc(Br)c1Cl ZINC000904472103 663835481 /nfs/dbraw/zinc/83/54/81/663835481.db2.gz LGLRESQBKRSRPJ-JTQLQIEISA-N 1 0 376.682 2.945 20 0 GFADRO O=C1Nc2c(cccc2Br)[C@H]1Cc1nc(C2CC[NH2+]CC2)no1 ZINC000904494177 663836285 /nfs/dbraw/zinc/83/62/85/663836285.db2.gz IJPTWPZYKDNHLQ-LLVKDONJSA-N 1 0 377.242 2.578 20 0 GFADRO COC(=O)c1cc(NC(=O)N2CC[C@@H]3CC[C@]32C[NH3+])c(C)cc1Br ZINC000904486247 663836373 /nfs/dbraw/zinc/83/63/73/663836373.db2.gz YYWASNVWWONMRV-GTNSWQLSSA-N 1 0 396.285 2.889 20 0 GFADRO CCOc1ccc(Br)cc1-c1noc([C@]23C[NH2+]C[C@H]2CCOC3)n1 ZINC000904665118 663839583 /nfs/dbraw/zinc/83/95/83/663839583.db2.gz IZNJRVDSFPGKEF-DIFFPNOSSA-N 1 0 394.269 2.775 20 0 GFADRO N[C@@H](c1nc([C@H]2CCCOC2)no1)c1ccccc1I ZINC000904695320 663841244 /nfs/dbraw/zinc/84/12/44/663841244.db2.gz NOZIMZGBTWUADR-JOYOIKCWSA-N 1 0 385.205 2.616 20 0 GFADRO Cc1sc(C[NH2+]C[C@H](O)C2(O)CCOCC2)nc1-c1ccc(Cl)cc1 ZINC000905070431 663851630 /nfs/dbraw/zinc/85/16/30/663851630.db2.gz ZXJHYKOPJZGDHA-HNNXBMFYSA-N 1 0 382.913 2.764 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)C[NH2+]C[C@@H](O)CC1(CO)CCCC1 ZINC000905080327 663851651 /nfs/dbraw/zinc/85/16/51/663851651.db2.gz KNEJJQNMYVRVFC-HNNXBMFYSA-N 1 0 399.329 2.589 20 0 GFADRO C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)c2ccc(Cl)c(Cl)c2)C(=O)N1c1cnn(C)c1 ZINC000905144455 663855190 /nfs/dbraw/zinc/85/51/90/663855190.db2.gz JFKWGVYASWZELO-UHNFBRDESA-N 1 0 383.279 2.544 20 0 GFADRO C[NH+](C)C1(CNC(=O)c2nscc2I)CCCCC1 ZINC000905154756 663855541 /nfs/dbraw/zinc/85/55/41/663855541.db2.gz LCQGFUCIWLOYHF-UHFFFAOYSA-N 1 0 393.294 2.742 20 0 GFADRO C[C@@](O)(C[NH2+]CCCn1cc(Br)cn1)C(F)(F)C(F)(F)F ZINC000905260348 663863010 /nfs/dbraw/zinc/86/30/10/663863010.db2.gz AFVKGFISSHUXFV-SECBINFHSA-N 1 0 380.155 2.574 20 0 GFADRO O=S(=O)(CC1CC[NH2+]CC1)N(Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000905333044 663865879 /nfs/dbraw/zinc/86/58/79/663865879.db2.gz VDDNPABNQKQTGX-UHFFFAOYSA-N 1 0 376.444 2.999 20 0 GFADRO Cc1sc(CCNS(=O)(=O)CC2CC[NH2+]CC2)nc1-c1ccccc1 ZINC000905344228 663866378 /nfs/dbraw/zinc/86/63/78/663866378.db2.gz UMNIKJXQHIMATA-UHFFFAOYSA-N 1 0 379.551 2.580 20 0 GFADRO O=S(=O)(CC[NH2+]C[C@@H]1CCC2(CCC2)O1)c1cccc(Br)c1 ZINC000905442039 663871689 /nfs/dbraw/zinc/87/16/89/663871689.db2.gz PTLOIHDNQQNGNH-AWEZNQCLSA-N 1 0 388.327 2.914 20 0 GFADRO O[C@@H](C[NH2+]C1CCC2(COC2)CC1)COc1cc(F)cc(Br)c1 ZINC000905451080 663872265 /nfs/dbraw/zinc/87/22/65/663872265.db2.gz DFELUOCLGPMWPZ-HNNXBMFYSA-N 1 0 388.277 2.877 20 0 GFADRO O=S(=O)(CC[NH2+]C[C@@H]1CC2(CCC2)CO1)c1cccc(Br)c1 ZINC000905474739 663873138 /nfs/dbraw/zinc/87/31/38/663873138.db2.gz ROXXBERELMKABT-AWEZNQCLSA-N 1 0 388.327 2.772 20 0 GFADRO COC(=O)C1CC2(C1)C[C@@H]([NH2+]C[C@H](O)c1ccccc1Br)CCO2 ZINC000905489982 663873855 /nfs/dbraw/zinc/87/38/55/663873855.db2.gz NWFJGHVWTJWBKD-OCYMRYHOSA-N 1 0 398.297 2.573 20 0 GFADRO Cc1ccc(Cl)c(OC[C@H](O)C[NH2+]CC2CCC(S(C)(=O)=O)CC2)c1 ZINC000905508890 663874683 /nfs/dbraw/zinc/87/46/83/663874683.db2.gz MFHISZFIRQOIDW-HWOWSKLDSA-N 1 0 389.945 2.581 20 0 GFADRO C[C@](O)(C[NH2+]CCO[C@@H]1CCOC1)c1ccc(Br)cc1Cl ZINC000905608534 663881047 /nfs/dbraw/zinc/88/10/47/663881047.db2.gz IXVPRGSXUVVKGK-DOMZBBRYSA-N 1 0 378.694 2.705 20 0 GFADRO O[C@@H](C[NH2+]C[C@H]1CCN1C1CCOCC1)COc1ccc(Cl)c(Cl)c1 ZINC000905620143 663881904 /nfs/dbraw/zinc/88/19/04/663881904.db2.gz CFBIBAVCSDWSJT-CABCVRRESA-N 1 0 389.323 2.576 20 0 GFADRO O[C@@H](C[NH2+]CCOC1CCSCC1)COc1cccc(C(F)(F)F)c1 ZINC000905704897 663887783 /nfs/dbraw/zinc/88/77/83/663887783.db2.gz OXBKKYFQZKVBMT-AWEZNQCLSA-N 1 0 379.444 2.947 20 0 GFADRO COc1cc(Br)cc(CNC2CC[NH+](CCCC(=O)[O-])CC2)c1 ZINC000905729083 663889167 /nfs/dbraw/zinc/88/91/67/663889167.db2.gz USDFCMYSOLBJJB-UHFFFAOYSA-N 1 0 385.302 2.877 20 0 GFADRO C[N@H+](Cc1cn(CC(=O)Nc2ccccc2Br)nn1)C(C)(C)C ZINC000905783756 663892325 /nfs/dbraw/zinc/89/23/25/663892325.db2.gz QDPLOOSMFMUIBF-UHFFFAOYSA-N 1 0 380.290 2.910 20 0 GFADRO CC(C)[NH2+]Cc1cn(Cc2nc(-c3cc(Br)cs3)no2)nn1 ZINC000905797885 663892906 /nfs/dbraw/zinc/89/29/06/663892906.db2.gz QAQFWXBFNKHCND-UHFFFAOYSA-N 1 0 383.275 2.698 20 0 GFADRO C[NH+](C)CCc1ccccc1NS(=O)(=O)N=[S@@](C)(=O)C1CCCCC1 ZINC000906062535 663917360 /nfs/dbraw/zinc/91/73/60/663917360.db2.gz BKPVJVAPNBDQNJ-DEOSSOPVSA-N 1 0 387.571 2.878 20 0 GFADRO COC(=O)c1cc(Cl)c(Cl)c(NC(=O)COC2CC[NH+](C)CC2)c1 ZINC000906098546 663925009 /nfs/dbraw/zinc/92/50/09/663925009.db2.gz GVBQCPHZZXZSSX-UHFFFAOYSA-N 1 0 375.252 2.829 20 0 GFADRO O=C(C[C@@H](O)C(Cl)(Cl)Cl)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000906107246 663925588 /nfs/dbraw/zinc/92/55/88/663925588.db2.gz UZRSHWIVBYGXFF-OAHLLOKOSA-N 1 0 393.742 2.931 20 0 GFADRO C[C@@H](CNC(=O)c1nscc1I)[N@@H+]1CCCC[C@H]1C ZINC000906150596 663929403 /nfs/dbraw/zinc/92/94/03/663929403.db2.gz NUOQCLYBKASBFK-ZJUUUORDSA-N 1 0 393.294 2.740 20 0 GFADRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1nscc1I ZINC000906390023 663944273 /nfs/dbraw/zinc/94/42/73/663944273.db2.gz OOKDQSBXXFNPHU-ZJUUUORDSA-N 1 0 393.294 2.598 20 0 GFADRO C[NH+](C)CCC1CCN(C(=O)c2cc(Br)cn(C3CC3)c2=O)CC1 ZINC000906680571 663964804 /nfs/dbraw/zinc/96/48/04/663964804.db2.gz ZTVIOKJNIHGETR-UHFFFAOYSA-N 1 0 396.329 2.750 20 0 GFADRO O=C(c1cc(Br)cn(C2CC2)c1=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000906775934 663969865 /nfs/dbraw/zinc/96/98/65/663969865.db2.gz YCOHODHJNISZSP-CYBMUJFWSA-N 1 0 394.313 2.504 20 0 GFADRO CC(C)CN(C1CC[NH+](C)CC1)S(=O)(=O)c1c[nH]c2ncc(Cl)cc12 ZINC000906863588 663977516 /nfs/dbraw/zinc/97/75/16/663977516.db2.gz PPQHYXHIPOLBGE-UHFFFAOYSA-N 1 0 384.933 2.957 20 0 GFADRO C[N@@H+]1CCC[C@H]2CN(C(=O)C(F)(F)c3ncccc3Br)CC[C@@H]21 ZINC000907038141 663995243 /nfs/dbraw/zinc/99/52/43/663995243.db2.gz RACCZFPQMVEWBJ-AAEUAGOBSA-N 1 0 388.256 2.879 20 0 GFADRO O=C(C[C@@H](O)C(Cl)(Cl)Cl)Nc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000907161445 664007715 /nfs/dbraw/zinc/00/77/15/664007715.db2.gz IXKJDCJXNRWZHS-CQSZACIVSA-N 1 0 395.714 2.703 20 0 GFADRO O=S(=O)(NC1CC[NH+](C2CCOCC2)CC1)c1cc2ccccc2s1 ZINC000907330078 664024147 /nfs/dbraw/zinc/02/41/47/664024147.db2.gz RSBZDZIMBRMSOC-UHFFFAOYSA-N 1 0 380.535 2.823 20 0 GFADRO C[C@@H](CCNC(=O)c1nscc1I)[NH+]1CCCCC1 ZINC000907345461 664025848 /nfs/dbraw/zinc/02/58/48/664025848.db2.gz QUIPQMKHSRUICU-JTQLQIEISA-N 1 0 393.294 2.742 20 0 GFADRO C[N@@H+]1C[C@@H](O)C[C@]1(C)C(=O)N1CCC(c2ccccc2Br)CC1 ZINC000907626178 664048907 /nfs/dbraw/zinc/04/89/07/664048907.db2.gz MCBJQLHBMNYLRJ-KBXCAEBGSA-N 1 0 381.314 2.610 20 0 GFADRO Cn1nc(-c2ccc(Cl)s2)cc1NC(=O)c1ccnn1CC[NH+](C)C ZINC000907822251 664063815 /nfs/dbraw/zinc/06/38/15/664063815.db2.gz IPVKQVFAZGBUEH-UHFFFAOYSA-N 1 0 378.889 2.812 20 0 GFADRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)c1nscc1I ZINC000907851462 664065470 /nfs/dbraw/zinc/06/54/70/664065470.db2.gz QBHSELOMZDXBLU-JTQLQIEISA-N 1 0 393.294 2.598 20 0 GFADRO C[NH+]1CCC2(CCN2S(=O)(=O)c2ccc(Cl)cc2Br)CC1 ZINC000907856397 664066038 /nfs/dbraw/zinc/06/60/38/664066038.db2.gz VSSOCUDCEZXFFC-UHFFFAOYSA-N 1 0 393.734 2.961 20 0 GFADRO C[N@@H+]1CCC[C@@](O)(CC(=O)Nc2nnc(-c3ccc(Cl)cc3F)s2)C1 ZINC000907871210 664068062 /nfs/dbraw/zinc/06/80/62/664068062.db2.gz GHZFMVAOHIFCPC-MRXNPFEDSA-N 1 0 384.864 2.783 20 0 GFADRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1cc(Br)cn(C2CC2)c1=O ZINC000908146931 664087882 /nfs/dbraw/zinc/08/78/82/664087882.db2.gz PCDQPRWKCFKFGB-IUODEOHRSA-N 1 0 394.313 2.645 20 0 GFADRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1cc(Br)cn(C2CC2)c1=O ZINC000908146935 664087926 /nfs/dbraw/zinc/08/79/26/664087926.db2.gz PCDQPRWKCFKFGB-WFASDCNBSA-N 1 0 394.313 2.645 20 0 GFADRO CSC1(CNC(=O)c2cccn3ncc(Br)c23)CC[NH+](C)CC1 ZINC000908286581 664097290 /nfs/dbraw/zinc/09/72/90/664097290.db2.gz VVIVJKPJRKHIKH-UHFFFAOYSA-N 1 0 397.342 2.654 20 0 GFADRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)c3cc(Br)cn(C4CC4)c3=O)C2)C1 ZINC000908423377 664105265 /nfs/dbraw/zinc/10/52/65/664105265.db2.gz VBAAECVWYWSYQK-GOSISDBHSA-N 1 0 394.313 2.504 20 0 GFADRO CC(C)[NH2+]C1(CO)CCN(C(=O)C2(c3ccccc3Br)CC2)CC1 ZINC000908600924 664116793 /nfs/dbraw/zinc/11/67/93/664116793.db2.gz ZFSGZUYVMNYCSX-UHFFFAOYSA-N 1 0 395.341 2.832 20 0 GFADRO Cc1cccc(CC(=O)N2CCC(CO)([NH2+]C(C)C)CC2)c1Br ZINC000908610183 664117696 /nfs/dbraw/zinc/11/76/96/664117696.db2.gz NKMHZBXAZCVEML-UHFFFAOYSA-N 1 0 383.330 2.652 20 0 GFADRO CC[N@@H+]1CCCN(C(=O)c2cnc3ncc(Br)cc3c2)[C@@H](C)C1 ZINC000910281471 664204353 /nfs/dbraw/zinc/20/43/53/664204353.db2.gz ZBTXVLKEZUAQPM-LBPRGKRZSA-N 1 0 377.286 2.949 20 0 GFADRO CCS(=O)(=O)c1cc(Cl)cc(CNC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)c1 ZINC000910408674 664209956 /nfs/dbraw/zinc/20/99/56/664209956.db2.gz TXSCEPCRLLUDOV-NVXWUHKLSA-N 1 0 384.929 2.767 20 0 GFADRO CC(C)[N@H+](CCO)CC1CCN(C(=O)c2scnc2C(F)(F)F)CC1 ZINC000910873012 664230533 /nfs/dbraw/zinc/23/05/33/664230533.db2.gz RGFDVVXHQUVDAE-UHFFFAOYSA-N 1 0 379.448 2.717 20 0 GFADRO O=C(Nc1nn(CC(F)(F)F)cc1Cl)c1cc(CN2CCCC2)on1 ZINC000911430496 664244884 /nfs/dbraw/zinc/24/48/84/664244884.db2.gz ATLGMXCZMFPZDR-UHFFFAOYSA-N 1 0 377.754 2.935 20 0 GFADRO O=C(NC[C@H]1CCC[NH2+]C1)c1c(Cl)ccc(I)c1F ZINC000911703685 664253742 /nfs/dbraw/zinc/25/37/42/664253742.db2.gz JQLWXTFMEXUHDA-QMMMGPOBSA-N 1 0 396.631 2.813 20 0 GFADRO C[C@@H](NC(=O)c1cc(Br)c(Br)[nH]1)[C@@H]1CCC[NH2+]C1 ZINC000911726721 664254297 /nfs/dbraw/zinc/25/42/97/664254297.db2.gz VEFJNNRAJMMUOP-HTQZYQBOSA-N 1 0 379.096 2.658 20 0 GFADRO C[NH2+]C[C@@H]1CCN(C(=O)c2cc(C)n(-c3ccccc3Br)n2)C1 ZINC000911776978 664256395 /nfs/dbraw/zinc/25/63/95/664256395.db2.gz FLPLOJZBNHBUHM-ZDUSSCGKSA-N 1 0 377.286 2.625 20 0 GFADRO Cc1cc(Br)c(CC(=O)N2CCC(OCCC[NH3+])CC2)s1 ZINC000911874696 664260236 /nfs/dbraw/zinc/26/02/36/664260236.db2.gz DNSABPBCGMHKEH-UHFFFAOYSA-N 1 0 375.332 2.718 20 0 GFADRO C[NH+]1CCC(N(CCO)C(=O)CCCc2ccc(Br)cc2)CC1 ZINC000911933517 664262489 /nfs/dbraw/zinc/26/24/89/664262489.db2.gz KKSQHCGCSXDBQM-UHFFFAOYSA-N 1 0 383.330 2.687 20 0 GFADRO CC[C@H](Cc1ccccc1Br)C(=O)N(CCO)C1CC[NH+](C)CC1 ZINC000911940554 664262839 /nfs/dbraw/zinc/26/28/39/664262839.db2.gz QSJAWSHVNYFUOS-OAHLLOKOSA-N 1 0 397.357 2.933 20 0 GFADRO C[NH+]1CCC(N(CCO)C(=O)c2cc3c(cncc3Br)s2)CC1 ZINC000911945891 664263205 /nfs/dbraw/zinc/26/32/05/664263205.db2.gz LGQSPIBESQNSPO-UHFFFAOYSA-N 1 0 398.326 2.588 20 0 GFADRO [NH3+][C@@H]1CCCn2nc(C(=O)Nc3cccc(I)c3)cc21 ZINC000911944168 664263241 /nfs/dbraw/zinc/26/32/41/664263241.db2.gz YZXZQIAVXBKODH-LLVKDONJSA-N 1 0 382.205 2.534 20 0 GFADRO O=C(Nc1cccc(I)c1)c1ncoc1C1CC[NH2+]CC1 ZINC000911943824 664263258 /nfs/dbraw/zinc/26/32/58/664263258.db2.gz RGVQOSYXQKNPAF-UHFFFAOYSA-N 1 0 397.216 2.999 20 0 GFADRO CN(CC(=O)Nc1ccccc1Br)C(=O)[C@]12CC[NH2+][C@H]1CCCC2 ZINC000912029517 664267210 /nfs/dbraw/zinc/26/72/10/664267210.db2.gz OXOXLQWQPXUOKB-MAUKXSAKSA-N 1 0 394.313 2.768 20 0 GFADRO CC(C)(O)C[N@@H+]1CC[C@H](Nc2ccc(-c3nnc(Br)o3)cc2)C1 ZINC000912300520 664281416 /nfs/dbraw/zinc/28/14/16/664281416.db2.gz IHKNWNWCQNTKDL-ZDUSSCGKSA-N 1 0 381.274 2.756 20 0 GFADRO O=C(Cc1sccc1Br)NC1CC[NH+](C2CCOCC2)CC1 ZINC000912346606 664282807 /nfs/dbraw/zinc/28/28/07/664282807.db2.gz AKHUEUCXCVRYGR-UHFFFAOYSA-N 1 0 387.343 2.813 20 0 GFADRO COc1cc(/C=C\C(=O)N2CCC([NH+]3CCC3)CC2)cc(Br)c1O ZINC000912882594 664307268 /nfs/dbraw/zinc/30/72/68/664307268.db2.gz FDXNHERLGFJOEQ-ARJAWSKDSA-N 1 0 395.297 2.873 20 0 GFADRO O=C(CCc1cccc(Br)c1)N1CC[NH+](CCCCCO)CC1 ZINC000913689489 664350261 /nfs/dbraw/zinc/35/02/61/664350261.db2.gz QBLJKZUGKMNRLT-UHFFFAOYSA-N 1 0 383.330 2.689 20 0 GFADRO O=C(Cc1csc(-c2cccs2)n1)N1CC[NH+](CCCCCO)CC1 ZINC000913689265 664350287 /nfs/dbraw/zinc/35/02/87/664350287.db2.gz HGZHAZXCBDOGSD-UHFFFAOYSA-N 1 0 379.551 2.721 20 0 GFADRO CCc1cc(C(=O)N2CCC([NH+]3CCN(C)CC3)CC2)ccc1Br ZINC000913760618 664356199 /nfs/dbraw/zinc/35/61/99/664356199.db2.gz NEVSURXUMRJRLB-UHFFFAOYSA-N 1 0 394.357 2.864 20 0 GFADRO CC[NH+](CC)[C@@H](C)CNC(=O)NC1(c2ncc(Br)cn2)CCC1 ZINC000914068274 664373973 /nfs/dbraw/zinc/37/39/73/664373973.db2.gz JFGLYWCIYYYJMM-LBPRGKRZSA-N 1 0 384.322 2.648 20 0 GFADRO O=S(=O)(C[C@@]12CC[N@H+](C1)CCC2)N1CCO[C@H](c2ccccc2Cl)C1 ZINC000914063284 664374031 /nfs/dbraw/zinc/37/40/31/664374031.db2.gz IPPIUJBYCYMXNX-ROUUACIJSA-N 1 0 384.929 2.529 20 0 GFADRO CC[NH+](CC)[C@H](C)CNC(=O)N1CCC[C@H]1c1ncc(Br)cn1 ZINC000914069689 664374041 /nfs/dbraw/zinc/37/40/41/664374041.db2.gz YVMYLKBINYDJCV-OCCSQVGLSA-N 1 0 384.322 2.816 20 0 GFADRO CC1CC[NH+](CCCCNC(=O)N(C)Cc2ncc(Br)cn2)CC1 ZINC000914097136 664376475 /nfs/dbraw/zinc/37/64/75/664376475.db2.gz NKSREVZBQUQXEI-UHFFFAOYSA-N 1 0 398.349 2.893 20 0 GFADRO C[C@@H]1C[C@H](N(C)S(=O)(=O)Cc2ccsc2Br)CC[N@@H+]1C ZINC000914179858 664383584 /nfs/dbraw/zinc/38/35/84/664383584.db2.gz WIZQTPXKNYOZHR-ZYHUDNBSSA-N 1 0 381.361 2.755 20 0 GFADRO Cc1sc(C)c(S(=O)(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)c1C ZINC000914262856 664392216 /nfs/dbraw/zinc/39/22/16/664392216.db2.gz CHQFSCGDXSERCE-IRXDYDNUSA-N 1 0 386.583 2.720 20 0 GFADRO O=S(=O)(NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1cscc1C(F)F ZINC000914263565 664392375 /nfs/dbraw/zinc/39/23/75/664392375.db2.gz UCNVRPIICFOMLI-UONOGXRCSA-N 1 0 394.509 2.732 20 0 GFADRO C[NH+](C)C1(CNC(=O)/C=C\c2ccc(I)o2)CCCC1 ZINC000915267277 664425835 /nfs/dbraw/zinc/42/58/35/664425835.db2.gz SHKCQPFQUCNALH-VURMDHGXSA-N 1 0 388.249 2.888 20 0 GFADRO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1CNCc1ccc(Cl)nc1 ZINC000916836293 664472775 /nfs/dbraw/zinc/47/27/75/664472775.db2.gz GVWPREFNHSIEPU-LBPRGKRZSA-N 1 0 389.308 2.543 20 0 GFADRO O=C(NCc1ccc(Br)cc1)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000917209599 664478390 /nfs/dbraw/zinc/47/83/90/664478390.db2.gz JBULKEJDIXLUQL-INIZCTEOSA-N 1 0 382.302 2.502 20 0 GFADRO C[C@]1(Cc2cc(Cl)cs2)CCCN1C(=O)NC1CC[NH+](CCO)CC1 ZINC000917841715 664490837 /nfs/dbraw/zinc/49/08/37/664490837.db2.gz AQQQPGIEVBQWAB-GOSISDBHSA-N 1 0 385.961 2.965 20 0 GFADRO CC[NH+]1CCC(N(C)C(=O)/C=C\c2ccc(I)o2)CC1 ZINC000918691423 664502719 /nfs/dbraw/zinc/50/27/19/664502719.db2.gz VKSFBDFNUUOFCB-ALCCZGGFSA-N 1 0 388.249 2.840 20 0 GFADRO O=C(N[C@H]1CC[N@@H+](C2CC2)C1)N1CCCC[C@@H]1c1ncc(Br)cn1 ZINC000918893007 664505988 /nfs/dbraw/zinc/50/59/88/664505988.db2.gz NQJOCCQRBOBJQA-DZGCQCFKSA-N 1 0 394.317 2.712 20 0 GFADRO O=C(NCCc1ccc(Br)cc1)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000919191212 664509166 /nfs/dbraw/zinc/50/91/66/664509166.db2.gz DBELSCBDLUKMFN-KRWDZBQOSA-N 1 0 396.329 2.544 20 0 GFADRO CC1CC[NH+](CCCCNC(=O)c2ccc(Cl)c(S(C)(=O)=O)c2)CC1 ZINC000920289612 664524352 /nfs/dbraw/zinc/52/43/52/664524352.db2.gz GGOLXHVWHJXVHK-UHFFFAOYSA-N 1 0 386.945 2.985 20 0 GFADRO C[C@H](CNC(=O)CCN1C(=S)N=NC1c1cccs1)[NH+]1CCCCC1 ZINC000920458309 664526372 /nfs/dbraw/zinc/52/63/72/664526372.db2.gz GPJBSQZKMLDCCM-CYBMUJFWSA-N 1 0 379.555 2.676 20 0 GFADRO CC[NH+]1CCC(CCNC(=O)NCC2(n3cc(Br)cn3)CC2)CC1 ZINC000920516092 664527314 /nfs/dbraw/zinc/52/73/14/664527314.db2.gz ZEVAVCOQXDXNFY-UHFFFAOYSA-N 1 0 398.349 2.556 20 0 GFADRO C[NH+](C)CC[C@@H](NS(=O)(=O)Cc1c(F)cccc1Cl)c1cccnc1 ZINC000921479968 664550028 /nfs/dbraw/zinc/55/00/28/664550028.db2.gz WWRSOZAGKORLKE-QGZVFWFLSA-N 1 0 385.892 2.987 20 0 GFADRO C[C@H]1CN([C@H](C[NH2+]Cc2nc(Br)c[nH]2)c2cccs2)CCO1 ZINC000921702341 664562218 /nfs/dbraw/zinc/56/22/18/664562218.db2.gz LNXLBKXIZXLCJU-NWDGAFQWSA-N 1 0 385.331 2.785 20 0 GFADRO Cc1cccc(C[NH2+]C[C@@H]2CCC[C@@]23NC(=O)N(C)C3=O)c1Br ZINC000921815365 664570241 /nfs/dbraw/zinc/57/02/41/664570241.db2.gz ZJZAISJDPQSKMV-SUMWQHHRSA-N 1 0 380.286 2.568 20 0 GFADRO O=C(NC[C@H]1CC[N@@H+]1C1CCOCC1)OCc1ccc(Br)cc1 ZINC000921911200 664575938 /nfs/dbraw/zinc/57/59/38/664575938.db2.gz IPNMNMUPFHUUKQ-MRXNPFEDSA-N 1 0 383.286 2.929 20 0 GFADRO CN(C)c1cc[nH+]c(CNC(=O)NCCSCc2ccnc(Cl)c2)c1 ZINC000921939716 664577650 /nfs/dbraw/zinc/57/76/50/664577650.db2.gz FJTJOUKQZULWAY-UHFFFAOYSA-N 1 0 379.917 2.929 20 0 GFADRO Cc1cc(C[NH2+][C@H](CO)[C@@H]2CCCOC2)c(C)cc1I ZINC000922187146 664589654 /nfs/dbraw/zinc/58/96/54/664589654.db2.gz ZLDRURCXMGIUNY-CZUORRHYSA-N 1 0 389.277 2.785 20 0 GFADRO OC[C@@]1([NH2+]Cc2cnn(CCF)c2)CCc2cc(Br)ccc2C1 ZINC000922283982 664593136 /nfs/dbraw/zinc/59/31/36/664593136.db2.gz KSQCKYKBJRBWRA-QGZVFWFLSA-N 1 0 382.277 2.625 20 0 GFADRO C[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+]Cc1cc2c(cc(F)cc2Br)[nH]1 ZINC000922340306 664595561 /nfs/dbraw/zinc/59/55/61/664595561.db2.gz DHDCJHKMDXZGAC-CLAHSXSESA-N 1 0 375.263 2.592 20 0 GFADRO COc1ccc(C[NH2+]CCc2nnc3ccccn32)c(Br)c1O ZINC000922395107 664599341 /nfs/dbraw/zinc/59/93/41/664599341.db2.gz ROMMNBAYERBUJC-UHFFFAOYSA-N 1 0 377.242 2.538 20 0 GFADRO CS(=O)(=O)C1CCC(C[NH2+]Cc2cccc(O)c2Br)CC1 ZINC000922417804 664600746 /nfs/dbraw/zinc/60/07/46/664600746.db2.gz PBCGTOQBENIIRF-UHFFFAOYSA-N 1 0 376.316 2.848 20 0 GFADRO COc1ccc(C[NH2+][C@@H]2CCCN3CCSC[C@@H]23)c(Br)c1O ZINC000922523332 664605520 /nfs/dbraw/zinc/60/55/20/664605520.db2.gz JWHRCYBTIVOMGP-OLZOCXBDSA-N 1 0 387.343 2.833 20 0 GFADRO Brc1ccc2ncc(C[NH2+][C@@H]3CCCN4CCSC[C@H]34)n2c1 ZINC000922523387 664605527 /nfs/dbraw/zinc/60/55/27/664605527.db2.gz LJPBQKYWXOCERE-HUUCEWRRSA-N 1 0 381.343 2.766 20 0 GFADRO OC[C@H](CCc1ccccc1)[NH2+]Cc1ncc(I)s1 ZINC000922543164 664606334 /nfs/dbraw/zinc/60/63/34/664606334.db2.gz ANUGHZROKCTATI-LBPRGKRZSA-N 1 0 388.274 2.831 20 0 GFADRO OC1(C[NH2+]Cc2ccc(Br)c(F)c2F)CCC2(CC1)OCCO2 ZINC000922620057 664608621 /nfs/dbraw/zinc/60/86/21/664608621.db2.gz KYRUZTRDJSLGGG-UHFFFAOYSA-N 1 0 392.240 2.865 20 0 GFADRO Brc1ccc(-c2c[nH]c(C[NH2+]C[C@H]3C[C@@H]4COC[C@@H]4O3)n2)cc1 ZINC000922725077 664612195 /nfs/dbraw/zinc/61/21/95/664612195.db2.gz LINMZKLDJUWSCT-XPKDYRNWSA-N 1 0 378.270 2.733 20 0 GFADRO Cc1cc(Br)cc(C[NH2+]CC[C@H]2CNC(=O)C2)c1OC(F)F ZINC000922783843 664614394 /nfs/dbraw/zinc/61/43/94/664614394.db2.gz VGQJVBCYDWOJIK-SNVBAGLBSA-N 1 0 377.229 2.975 20 0 GFADRO Cc1cc(C[NH2+]CC2(n3cc(Br)cn3)CC2)ccc1-n1cncn1 ZINC000922802482 664614934 /nfs/dbraw/zinc/61/49/34/664614934.db2.gz LSTCJEHQPXWMAI-UHFFFAOYSA-N 1 0 387.285 2.814 20 0 GFADRO O=C(NCCc1cccc(Br)c1)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000922824291 664615693 /nfs/dbraw/zinc/61/56/93/664615693.db2.gz QXWFNWWGHWYOEI-KRWDZBQOSA-N 1 0 396.329 2.544 20 0 GFADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+][C@H]1CCS[C@@H](C)C1 ZINC000922844733 664616309 /nfs/dbraw/zinc/61/63/09/664616309.db2.gz YRZADHZVJXQHLJ-WCFLWFBJSA-N 1 0 377.963 2.578 20 0 GFADRO CCOc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)S3(=O)=O)c1OC(F)F ZINC000922852875 664616440 /nfs/dbraw/zinc/61/64/40/664616440.db2.gz VXLBAYFUCZZPLR-AGUYFDCRSA-N 1 0 375.437 2.885 20 0 GFADRO O=C(COc1ccccc1Br)N1CCC([NH2+]C2CCOCC2)CC1 ZINC000922876555 664617278 /nfs/dbraw/zinc/61/72/78/664617278.db2.gz NZQIOYFEDXXLCU-UHFFFAOYSA-N 1 0 397.313 2.588 20 0 GFADRO Cc1ccc(Br)nc1C(=O)N1CCC([NH2+]C2CCOCC2)CC1 ZINC000922879749 664617486 /nfs/dbraw/zinc/61/74/86/664617486.db2.gz NUEXMVAWUXUROQ-UHFFFAOYSA-N 1 0 382.302 2.526 20 0 GFADRO O[C@H]1C[C@@H]([NH2+]Cc2cn(-c3cccc(Cl)c3Cl)nn2)C12CCOCC2 ZINC000923021610 664621314 /nfs/dbraw/zinc/62/13/14/664621314.db2.gz SVWBPEUKDLNIOD-CABCVRRESA-N 1 0 383.279 2.594 20 0 GFADRO CC(C)[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)N1[C@@H]2CC[C@H]1C[N@H+](C)CC2 ZINC000923270445 664627030 /nfs/dbraw/zinc/62/70/30/664627030.db2.gz TTXLVMSAZKWFOO-DVOMOZLQSA-N 1 0 383.945 2.851 20 0 GFADRO O[C@H](COc1ccc(Cl)cc1Br)CN1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000923358612 664628914 /nfs/dbraw/zinc/62/89/14/664628914.db2.gz IVYNGEDLOKTYNW-OSAQELSMSA-N 1 0 389.721 2.526 20 0 GFADRO NC[C@@H]([NH2+]C[C@H](O)COc1cc(F)cc(Br)c1)C1CCCCC1 ZINC000923371655 664629137 /nfs/dbraw/zinc/62/91/37/664629137.db2.gz CXBKMMZEDOJSSY-DOTOQJQBSA-N 1 0 389.309 2.825 20 0 GFADRO [NH3+][C@]1(CO)CCCN(Cc2cccc(OCC(F)(F)F)c2Br)C1 ZINC000923474358 664631082 /nfs/dbraw/zinc/63/10/82/664631082.db2.gz GSDDAURNRMAJAU-CQSZACIVSA-N 1 0 397.235 2.676 20 0 GFADRO C[NH+]1CCC(n2cc(NC(=O)N3CCS[C@H](C(F)(F)F)C3)cn2)CC1 ZINC000923623275 664634682 /nfs/dbraw/zinc/63/46/82/664634682.db2.gz GZJSYTLGWBPRJA-ZDUSSCGKSA-N 1 0 377.436 2.661 20 0 GFADRO [NH3+]C[C@@H]1CC2(CO1)CCN(S(=O)(=O)Cc1cc(Cl)cc(Cl)c1)CC2 ZINC000923689085 664635915 /nfs/dbraw/zinc/63/59/15/664635915.db2.gz YPHPGVFEBIGSKO-HNNXBMFYSA-N 1 0 393.336 2.653 20 0 GFADRO [NH3+]C[C@@]1(c2ccccc2)C[C@H](NS(=O)(=O)c2cc(Cl)cnc2Cl)C1 ZINC000923738816 664637230 /nfs/dbraw/zinc/63/72/30/664637230.db2.gz CWZDJOYBCCFJHA-AKAXFMLLSA-N 1 0 386.304 2.726 20 0 GFADRO C[NH+](C)CC[C@H](NC(=O)NCc1ccc(Br)cn1)c1cccnc1 ZINC000923918914 664639914 /nfs/dbraw/zinc/63/99/14/664639914.db2.gz ARLRIBJRTOHSEV-INIZCTEOSA-N 1 0 392.301 2.731 20 0 GFADRO COc1ccc([C@@H](C[NH2+][C@H](C)C2(Br)CC2)N2CCOCC2)cc1 ZINC000924547729 664657044 /nfs/dbraw/zinc/65/70/44/664657044.db2.gz UCZYHRGCVRPTJS-RHSMWYFYSA-N 1 0 383.330 2.974 20 0 GFADRO C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)nc1)c1cccc(Br)n1 ZINC000924618900 664658942 /nfs/dbraw/zinc/65/89/42/664658942.db2.gz QHMCIZBJHCHKDU-CYBMUJFWSA-N 1 0 377.286 2.927 20 0 GFADRO C[C@@H]([NH2+]Cc1csc(Br)c1)C1CCN(S(C)(=O)=O)CC1 ZINC000924653674 664659209 /nfs/dbraw/zinc/65/92/09/664659209.db2.gz BSTCVZYGTOOUGT-SNVBAGLBSA-N 1 0 381.361 2.660 20 0 GFADRO CC(=O)N1CCN(c2ccccc2C[NH2+][C@@H](C)C2(Br)CC2)CC1 ZINC000924902074 664663928 /nfs/dbraw/zinc/66/39/28/664663928.db2.gz WCRZSAPYLBNZAN-AWEZNQCLSA-N 1 0 380.330 2.761 20 0 GFADRO O=S(=O)(N1CCC(C[NH2+][C@H]2CCc3c2nccc3Cl)CC1)C(F)(F)F ZINC000925039799 664665838 /nfs/dbraw/zinc/66/58/38/664665838.db2.gz IAJJWCUFMOFXSP-ZDUSSCGKSA-N 1 0 397.850 2.874 20 0 GFADRO C[C@H]([NH2+]CCc1ccc(S(=O)(=O)N2CCCCC2)s1)c1ccnnc1 ZINC000925160351 664667709 /nfs/dbraw/zinc/66/77/09/664667709.db2.gz BTXUDPTVKLGFHO-AWEZNQCLSA-N 1 0 380.539 2.606 20 0 GFADRO CC(C)N1C(=O)N(C[C@@H]2CC[N@@H+]2C)C(=O)[C@@H]1c1ccc(Br)cc1 ZINC000925195244 664668484 /nfs/dbraw/zinc/66/84/84/664668484.db2.gz HPOVGAOMQUCEOG-GJZGRUSLSA-N 1 0 380.286 2.867 20 0 GFADRO CCS[C@@H]1CCC[C@@H]([NH2+][C@@H](C)c2ccc(S(=O)(=O)CC(N)=O)cc2)C1 ZINC000925219154 664668916 /nfs/dbraw/zinc/66/89/16/664668916.db2.gz SKALAZFAHWUUDA-NUEKZKHPSA-N 1 0 384.567 2.661 20 0 GFADRO C[N@@H+]1CC[C@H]1CNC(=O)N(Cc1cccc(Br)c1)C1CCOCC1 ZINC000925421883 664672099 /nfs/dbraw/zinc/67/20/99/664672099.db2.gz SHRIFPJRWBOYDX-KRWDZBQOSA-N 1 0 396.329 2.844 20 0 GFADRO C[C@H]([NH2+]C[C@H](O)c1c(Cl)cccc1Cl)C1CCN(S(C)(=O)=O)CC1 ZINC000925461308 664672537 /nfs/dbraw/zinc/67/25/37/664672537.db2.gz ICWOSXISVRQLBC-NHYWBVRUSA-N 1 0 395.352 2.677 20 0 GFADRO O[C@H](C[NH2+][C@H](C1CCC1)[C@@H]1CCOC1)COc1ccccc1Br ZINC000925543936 664672834 /nfs/dbraw/zinc/67/28/34/664672834.db2.gz OQCDIKQYRQLRNU-IIDMSEBBSA-N 1 0 384.314 2.984 20 0 GFADRO COCc1nc2n(n1)C[C@@H]([NH2+][C@@H]1CCCc3ncc(Br)cc31)CC2 ZINC000925516925 664672859 /nfs/dbraw/zinc/67/28/59/664672859.db2.gz JYLGOSSEFMDHOL-SWLSCSKDSA-N 1 0 392.301 2.564 20 0 GFADRO CC(C)[NH+]1CCN(CCC(=O)Nc2nc3c(cccc3Br)[nH]2)CC1 ZINC000925632070 664673755 /nfs/dbraw/zinc/67/37/55/664673755.db2.gz ZNKZKZDNWWEVIB-UHFFFAOYSA-N 1 0 394.317 2.680 20 0 GFADRO C[C@H](NC1CC[NH+](CCO)CC1)C(F)(F)c1ccc(Br)cc1 ZINC000925832506 664675450 /nfs/dbraw/zinc/67/54/50/664675450.db2.gz RMAVFWIHNMAKKL-LBPRGKRZSA-N 1 0 377.273 2.976 20 0 GFADRO CC(C)S(=O)(=O)N1CC[C@@H]([NH2+][C@H]2COCc3cccc(Cl)c32)[C@H](C)C1 ZINC000925884826 664676684 /nfs/dbraw/zinc/67/66/84/664676684.db2.gz MTSTZIHPDKJLHA-XYPHTWIQSA-N 1 0 386.945 2.950 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)NCCCCCN1CC[NH2+]CC1 ZINC000925954835 664678065 /nfs/dbraw/zinc/67/80/65/664678065.db2.gz QHBIDGHLXGBOCG-UHFFFAOYSA-N 1 0 383.334 2.955 20 0 GFADRO COCCOc1ccc(NC(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)cc1Cl ZINC000925969971 664678398 /nfs/dbraw/zinc/67/83/98/664678398.db2.gz KAGWWSGORAWNLW-ZYHUDNBSSA-N 1 0 381.782 2.719 20 0 GFADRO [NH3+]C[C@@H]1CC2(CO1)CCN(C(=O)Nc1nnc(-c3ccsc3)s1)CC2 ZINC000925973660 664678469 /nfs/dbraw/zinc/67/84/69/664678469.db2.gz SIJNNGCXDXGLPU-LBPRGKRZSA-N 1 0 379.511 2.628 20 0 GFADRO CC(C)Oc1cc(Br)cc(NC(=O)N2CCC[C@@]([NH3+])(CO)C2)c1 ZINC000926056133 664680116 /nfs/dbraw/zinc/68/01/16/664680116.db2.gz XBRRSQACPQRJTQ-INIZCTEOSA-N 1 0 386.290 2.554 20 0 GFADRO Cc1cc(Br)ncc1NC(=O)N1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000926056622 664680140 /nfs/dbraw/zinc/68/01/40/664680140.db2.gz NFQOLWQCNCXPOI-LBPRGKRZSA-N 1 0 383.290 2.514 20 0 GFADRO CCOC(=O)c1c(NC(=O)N2CC[C@@H](CC[NH3+])C2)sc2c1CCSC2 ZINC000926079619 664681196 /nfs/dbraw/zinc/68/11/96/664681196.db2.gz WRBNMSBIYJMOAZ-LLVKDONJSA-N 1 0 383.539 2.917 20 0 GFADRO [NH3+][C@]1(CO)CCCN(C(=O)Nc2ccc(Br)c3ccccc23)C1 ZINC000926084243 664681244 /nfs/dbraw/zinc/68/12/44/664681244.db2.gz VHFSMJUPRSUEAS-QGZVFWFLSA-N 1 0 378.270 2.920 20 0 GFADRO [NH3+]CC[C@H]1CCN(C(=O)Nc2ccnn2Cc2cccc(Br)c2)C1 ZINC000926099122 664681726 /nfs/dbraw/zinc/68/17/26/664681726.db2.gz PZKNXWGDDPKWQH-ZDUSSCGKSA-N 1 0 392.301 2.897 20 0 GFADRO Cc1cnc(Br)c(NC(=O)N2CCC3(CO[C@@H](C[NH3+])C3)CC2)c1 ZINC000926122470 664682193 /nfs/dbraw/zinc/68/21/93/664682193.db2.gz GRJOLPLSZMIJDQ-GFCCVEGCSA-N 1 0 383.290 2.514 20 0 GFADRO O=C(Nc1cc(C(F)(F)F)cc(Br)n1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000926120393 664682269 /nfs/dbraw/zinc/68/22/69/664682269.db2.gz DJPDOXYXIUEEAE-DTWKUNHWSA-N 1 0 393.207 2.936 20 0 GFADRO COc1cc(I)ccc1NC(=O)NC[C@@H]1CC[C@H]([NH3+])C1 ZINC000926134254 664682504 /nfs/dbraw/zinc/68/25/04/664682504.db2.gz UEGILBGJENBBIT-KOLCDFICSA-N 1 0 389.237 2.549 20 0 GFADRO Cc1cc(Br)nc(NC(=O)N2CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C2)c1 ZINC000926137260 664682578 /nfs/dbraw/zinc/68/25/78/664682578.db2.gz SAMMIMLASISQEN-BDAKNGLRSA-N 1 0 381.196 2.896 20 0 GFADRO Cc1oc(Br)cc1C(=O)N[C@@H]1C[C@@]2(C[N@@H+](C)[C@@H]2C(C)C)C[C@H]1O ZINC000926145076 664682921 /nfs/dbraw/zinc/68/29/21/664682921.db2.gz RHHBUVRREZPOEX-SMKXDYDZSA-N 1 0 385.302 2.560 20 0 GFADRO Cc1cccc(Br)c1C(=O)N[C@@H]1C[C@@]2(C[N@@H+](C)[C@H]2C(C)C)C[C@H]1O ZINC000926149543 664683071 /nfs/dbraw/zinc/68/30/71/664683071.db2.gz CHTVIJXPVVIJTK-RRIFGTCXSA-N 1 0 395.341 2.967 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)N[C@H](c2ccc(Cl)cc2Cl)C(F)(F)F)CCO1 ZINC000926201993 664684675 /nfs/dbraw/zinc/68/46/75/664684675.db2.gz AOQAPUXIZYELGG-BXKDBHETSA-N 1 0 386.201 2.966 20 0 GFADRO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NC(=O)c3nc(Cl)ccc3Cl)C2)[C@@H]1C(C)C ZINC000926263641 664685915 /nfs/dbraw/zinc/68/59/15/664685915.db2.gz YQSYDOJAEWHSEM-GQGSAGHOSA-N 1 0 386.323 2.988 20 0 GFADRO OC[C@@H](C[NH2+][C@@H]1CCOC12CCOCC2)Cc1ccc(Br)cc1 ZINC000926281781 664686058 /nfs/dbraw/zinc/68/60/58/664686058.db2.gz BATSWWMLOBDNQC-NVXWUHKLSA-N 1 0 384.314 2.528 20 0 GFADRO C[C@@H]([NH2+][C@H](CN(C)C)c1ccc(Cl)cc1)C1CCN(S(C)(=O)=O)CC1 ZINC000926375955 664688983 /nfs/dbraw/zinc/68/89/83/664688983.db2.gz ZMWIGMMXVCPYQN-RDTXWAMCSA-N 1 0 387.977 2.592 20 0 GFADRO COc1ccc(CN2CC[C@H]([NH2+][C@H](C)C3(Br)CC3)C2=O)c(OC)c1 ZINC000926422195 664689732 /nfs/dbraw/zinc/68/97/32/664689732.db2.gz DCRVGWDIJQYSIC-DOMZBBRYSA-N 1 0 397.313 2.710 20 0 GFADRO COc1cc([C@H](C)[NH2+]C[C@@H](CO)Cc2ccc(OC)c(Br)c2)on1 ZINC000926536828 664691778 /nfs/dbraw/zinc/69/17/78/664691778.db2.gz CKAWEVMSUPEJRV-AAEUAGOBSA-N 1 0 399.285 2.956 20 0 GFADRO C[C@@H](NCc1nn(C)cc1I)c1cccc(C[NH+](C)C)c1 ZINC000926541327 664691919 /nfs/dbraw/zinc/69/19/19/664691919.db2.gz OECTXVDHVWTCSZ-GFCCVEGCSA-N 1 0 398.292 2.937 20 0 GFADRO O=C1NCC2(CCOCC2)[C@@H]1[NH2+]CC/C=C/c1ccc(Br)cc1 ZINC000926744225 664696134 /nfs/dbraw/zinc/69/61/34/664696134.db2.gz DIVYKXYOLCELMG-BCMPFUBYSA-N 1 0 379.298 2.737 20 0 GFADRO C[C@H](NCCC[N@@H+]1CCC[C@H]1C(N)=O)c1ncc(C(F)(F)F)cc1Cl ZINC000926747890 664696137 /nfs/dbraw/zinc/69/61/37/664696137.db2.gz CHIOWLWTFUWGRL-GWCFXTLKSA-N 1 0 378.826 2.744 20 0 GFADRO Cc1ccc([C@H]([NH2+]CCN2CC[C@H](O)C2)c2cncc(Br)c2)cc1 ZINC000926775142 664696512 /nfs/dbraw/zinc/69/65/12/664696512.db2.gz UDSXPLZSMOXGHH-OALUTQOASA-N 1 0 390.325 2.898 20 0 GFADRO CCO[C@@H](CNC(=O)N1CCC[C@@H]1c1ccc(Br)cn1)C[NH+](C)C ZINC000926846816 664697770 /nfs/dbraw/zinc/69/77/70/664697770.db2.gz TYJTUGJAKZIEIY-GOEBONIOSA-N 1 0 399.333 2.657 20 0 GFADRO CNS(=O)(=O)c1cccc([C@H](C)[NH2+]C[C@@H]2CCC[C@H](C(F)(F)F)O2)c1 ZINC000926918322 664699103 /nfs/dbraw/zinc/69/91/03/664699103.db2.gz ZTBYGLFVAYACQD-CORIIIEPSA-N 1 0 380.432 2.745 20 0 GFADRO CN(Cc1ncc(Br)cn1)C(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000926985307 664701468 /nfs/dbraw/zinc/70/14/68/664701468.db2.gz JUBMMJAZZAUZJG-INIZCTEOSA-N 1 0 389.297 2.862 20 0 GFADRO COC(=O)c1cncc([C@@H](C)[NH2+]CC2(n3cc(Br)cn3)CC2)c1 ZINC000927005071 664702053 /nfs/dbraw/zinc/70/20/53/664702053.db2.gz HZIPPQXCTWWAAD-LLVKDONJSA-N 1 0 379.258 2.667 20 0 GFADRO CCOCCOCC[NH2+][C@H](c1ccc(Br)cc1)c1cncnc1 ZINC000927087925 664703332 /nfs/dbraw/zinc/70/33/32/664703332.db2.gz RLVKKGJMQVRXQE-QGZVFWFLSA-N 1 0 380.286 2.971 20 0 GFADRO Cn1nnc2c1C[C@H]([NH2+][C@@H](c1ccc(Br)cc1)[C@@H]1CCCO1)CC2 ZINC000927147433 664705253 /nfs/dbraw/zinc/70/52/53/664705253.db2.gz SBVKEIYXFPWASA-JLSDUUJJSA-N 1 0 391.313 2.945 20 0 GFADRO CN(C)c1cc[nH+]c(CNC(=O)COc2ccc(F)cc2Br)c1 ZINC000927708634 664714405 /nfs/dbraw/zinc/71/44/05/664714405.db2.gz ZDGLOLMCNIHSDC-UHFFFAOYSA-N 1 0 382.233 2.744 20 0 GFADRO CC[C@@H]([NH3+])CNC(=O)C(=O)Nc1cc(Br)cc(C(F)(F)F)c1C ZINC000927799133 664716059 /nfs/dbraw/zinc/71/60/59/664716059.db2.gz JAIGBVHPDCVGHZ-SECBINFHSA-N 1 0 396.207 2.568 20 0 GFADRO [NH3+]CC[C@H]1CCN(C(=O)C(=O)Nc2ccc3cc(Br)ccc3c2)C1 ZINC000927888001 664717266 /nfs/dbraw/zinc/71/72/66/664717266.db2.gz ZDIFGCQUKRSTFB-LBPRGKRZSA-N 1 0 390.281 2.738 20 0 GFADRO CCOc1c(Cl)cc(NC(=O)C(=O)N2CC[C@@H](C[NH3+])[C@@H](C)C2)cc1Cl ZINC000927891608 664717349 /nfs/dbraw/zinc/71/73/49/664717349.db2.gz UEBZIYKMLRIJCO-QWRGUYRKSA-N 1 0 388.295 2.774 20 0 GFADRO C[C@H]1CN(C(=O)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)CC[C@H]1C[NH3+] ZINC000927890542 664717404 /nfs/dbraw/zinc/71/74/04/664717404.db2.gz AADMHYJNLOOFIY-UWVGGRQHSA-N 1 0 377.794 2.741 20 0 GFADRO Cc1sc(CC(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@H]23)nc1-c1ccco1 ZINC000928082973 664722180 /nfs/dbraw/zinc/72/21/80/664722180.db2.gz YFRPUZZLEHPRTK-ZIAGYGMSSA-N 1 0 377.535 2.950 20 0 GFADRO O=C(Cc1cn2cc(Cl)cc(Cl)c2n1)N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000928089965 664722476 /nfs/dbraw/zinc/72/24/76/664722476.db2.gz GUXVEXXNXTZRGI-LSDHHAIUSA-N 1 0 399.347 2.880 20 0 GFADRO O=C(COCc1nc2ccccc2s1)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000928095042 664722822 /nfs/dbraw/zinc/72/28/22/664722822.db2.gz JEECRMJFNSJXAE-UKRRQHHQSA-N 1 0 377.535 2.509 20 0 GFADRO C[C@@H]1[C@@H](NC(=O)CCC[S@](=O)c2ccc(Br)cc2)CC[N@@H+]1C ZINC000928449091 664732787 /nfs/dbraw/zinc/73/27/87/664732787.db2.gz PQFKJXCTWGVOQO-PVSQZPHNSA-N 1 0 387.343 2.546 20 0 GFADRO Cc1ncc(NC(=O)CCN2CC[NH+](C(C)C)CC2)c(C)c1Br ZINC000928744033 664738760 /nfs/dbraw/zinc/73/87/60/664738760.db2.gz GDCZCOYRCFIOCO-UHFFFAOYSA-N 1 0 383.334 2.816 20 0 GFADRO C[NH+](C)CC[C@H](NC(=O)c1cc(Br)cnc1F)c1cccnc1 ZINC000928829377 664740484 /nfs/dbraw/zinc/74/04/84/664740484.db2.gz KCORQJHEGOASCW-AWEZNQCLSA-N 1 0 381.249 2.801 20 0 GFADRO C[NH+](C)CC[C@H](NC(=O)c1cnc(F)c(Br)c1)c1cccnc1 ZINC000928830430 664740542 /nfs/dbraw/zinc/74/05/42/664740542.db2.gz ZVFCCSFMVUAZBR-AWEZNQCLSA-N 1 0 381.249 2.801 20 0 GFADRO O=C(N1CCCC[C@@H]1c1ncc(Br)cn1)[C@@]12CC[N@H+](C1)CCC2 ZINC000928940490 664743325 /nfs/dbraw/zinc/74/33/25/664743325.db2.gz SJZNHPBVQABHPJ-PBHICJAKSA-N 1 0 379.302 2.779 20 0 GFADRO CC[NH+]1CCC(NC(=O)c2cc3ccc(Br)cc3c(=O)o2)CC1 ZINC000929459303 664752639 /nfs/dbraw/zinc/75/26/39/664752639.db2.gz ONAIQWQIAWIGGZ-UHFFFAOYSA-N 1 0 379.254 2.770 20 0 GFADRO O=C(Nc1ccc(F)cc1Br)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000929737749 664756903 /nfs/dbraw/zinc/75/69/03/664756903.db2.gz KYJHMJMMVLVGSE-HUUCEWRRSA-N 1 0 386.265 2.651 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000929771248 664757558 /nfs/dbraw/zinc/75/75/58/664757558.db2.gz MTIKYNAEPZJVKA-JKSUJKDBSA-N 1 0 382.302 2.820 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)CCc1ccc(S(C)(=O)=O)cc1)c1ccsc1 ZINC000929999866 664761104 /nfs/dbraw/zinc/76/11/04/664761104.db2.gz OCEWCKKTSNWUAF-KRWDZBQOSA-N 1 0 380.535 2.503 20 0 GFADRO O[C@H](C[NH2+][C@H](c1ccc(Br)cc1)C1CCC1)C[C@@]1(O)CCOC1 ZINC000930209919 664764580 /nfs/dbraw/zinc/76/45/80/664764580.db2.gz DMMPMUSMFLTCHL-BZSNNMDCSA-N 1 0 384.314 2.782 20 0 GFADRO Cc1cc(C[NH2+][C@@H](c2cnn(C)c2)C2(CO)CCC2)cnc1Br ZINC000930534404 664772549 /nfs/dbraw/zinc/77/25/49/664772549.db2.gz CBHVWIMJFHPHFH-HNNXBMFYSA-N 1 0 379.302 2.880 20 0 GFADRO CC1(C)Cc2c(cccc2Br)[C@@H]1[NH2+]C[C@H](O)C1(O)CCOCC1 ZINC000930553886 664773247 /nfs/dbraw/zinc/77/32/47/664773247.db2.gz ZJBDBPPGKPKESR-HOTGVXAUSA-N 1 0 384.314 2.565 20 0 GFADRO CCOc1c(Cl)cc(NC(=O)NCC[NH+]2CCC(O)CC2)cc1Cl ZINC000930876546 664780051 /nfs/dbraw/zinc/78/00/51/664780051.db2.gz OTFPBPVWIMSZSR-UHFFFAOYSA-N 1 0 376.284 2.970 20 0 GFADRO Cc1cc(Br)cc(NC(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)c1 ZINC000930945138 664781704 /nfs/dbraw/zinc/78/17/04/664781704.db2.gz SQEJWOPDQGQMSF-HZPDHXFCSA-N 1 0 382.302 2.820 20 0 GFADRO COc1cc(Br)cc(C(=O)N2CCC[N@H+](C[C@@H]3CCCO3)CC2)c1 ZINC000930977634 664782234 /nfs/dbraw/zinc/78/22/34/664782234.db2.gz JWZYXWQXUHUDNL-INIZCTEOSA-N 1 0 397.313 2.785 20 0 GFADRO COC(=O)c1c(Br)ccc(NC(=O)N[C@@H]2CC[N@H+](C)[C@H]2C)c1C ZINC000931079838 664784742 /nfs/dbraw/zinc/78/47/42/664784742.db2.gz DEQZWDZKJDALNH-GXFFZTMASA-N 1 0 384.274 2.758 20 0 GFADRO O[C@H](CN1CCC([N@@H+]2CCCOCC2)CC1)c1ccccc1Br ZINC000931285947 664790625 /nfs/dbraw/zinc/79/06/25/664790625.db2.gz FWFLKSJWKAISGA-GOSISDBHSA-N 1 0 383.330 2.669 20 0 GFADRO C[N@@H+]1C[C@@H]2CN(C(=O)Nc3ccc4nccnc4c3Br)C[C@]2(C)C1 ZINC000931389633 664793384 /nfs/dbraw/zinc/79/33/84/664793384.db2.gz IGOIJCSLIPNWPI-DIFFPNOSSA-N 1 0 390.285 2.808 20 0 GFADRO C[NH+](C)CC1(O)CCN(Cc2nnc(-c3c(Cl)cccc3Cl)o2)CC1 ZINC000931483538 664796159 /nfs/dbraw/zinc/79/61/59/664796159.db2.gz DVWCFMGGBLKMBU-UHFFFAOYSA-N 1 0 385.295 2.932 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)CC[NH2+]C(C)(C)C ZINC000931528642 664797448 /nfs/dbraw/zinc/79/74/48/664797448.db2.gz ABCWOOORNFVHLV-UHFFFAOYSA-N 1 0 384.318 2.981 20 0 GFADRO COc1cc(Br)cc(CNC(=O)Nc2ccnn2CC[NH+](C)C)c1 ZINC000931568271 664798929 /nfs/dbraw/zinc/79/89/29/664798929.db2.gz SYAKYUXTAVVQMB-UHFFFAOYSA-N 1 0 396.289 2.538 20 0 GFADRO CN(Cc1ccc(Br)nc1N)C[C@@H]1CN(c2ccccc2)C(=O)O1 ZINC000931617724 664800814 /nfs/dbraw/zinc/80/08/14/664800814.db2.gz MXWKBPGDKIZGAO-CQSZACIVSA-N 1 0 391.269 2.884 20 0 GFADRO O=C(Nc1ncc(C2CCOCC2)s1)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000931630884 664801016 /nfs/dbraw/zinc/80/10/16/664801016.db2.gz ZRKXGACLMPZTJD-KGLIPLIRSA-N 1 0 382.555 2.738 20 0 GFADRO CC(C)[N@@H+]1CCCN(C(=O)c2cc3cc(Br)cnc3n2C)CC1 ZINC000931793312 664805117 /nfs/dbraw/zinc/80/51/17/664805117.db2.gz CBHPMYGTSCYMPP-UHFFFAOYSA-N 1 0 379.302 2.892 20 0 GFADRO Cc1cc(Br)c(Cl)cc1NC(=O)NCC[NH+]1CCC(O)CC1 ZINC000931916750 664807330 /nfs/dbraw/zinc/80/73/30/664807330.db2.gz OFQRSPAMRJZLEL-UHFFFAOYSA-N 1 0 390.709 2.989 20 0 GFADRO O=C(Nc1cccc(Br)c1F)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000931950167 664807798 /nfs/dbraw/zinc/80/77/98/664807798.db2.gz JZWCZHPHDYNVHK-KGLIPLIRSA-N 1 0 386.265 2.651 20 0 GFADRO CCC(CC)[NH2+]CCNC(=O)Nc1cc(Br)cc2c1NC(=O)CO2 ZINC000932433259 664822362 /nfs/dbraw/zinc/82/23/62/664822362.db2.gz QRSOKQSTLYCCOW-UHFFFAOYSA-N 1 0 399.289 2.680 20 0 GFADRO COc1cc(Br)cc(C(=O)N2CCC(OCC[NH+](C)C)CC2)c1 ZINC000932678887 664831715 /nfs/dbraw/zinc/83/17/15/664831715.db2.gz OGKILBZUGJVODH-UHFFFAOYSA-N 1 0 385.302 2.641 20 0 GFADRO CC(C)S(=O)(=O)CCC[N@@H+]1CC[C@@H](CNC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000932706021 664832462 /nfs/dbraw/zinc/83/24/62/664832462.db2.gz UXJXRKIHATVGPP-CVEARBPZSA-N 1 0 376.563 2.682 20 0 GFADRO C[C@H](CNC(=O)C/C=C/c1ccc(Br)cc1)N1CC[NH+](C)CC1 ZINC000932723770 664833517 /nfs/dbraw/zinc/83/35/17/664833517.db2.gz SXRRJDNODPCUIA-NHZBNJEXSA-N 1 0 380.330 2.605 20 0 GFADRO CC[NH+](CC)CC[C@@H](CO)NC(=O)Nc1cnc(C)c(Br)c1C ZINC000932778123 664837648 /nfs/dbraw/zinc/83/76/48/664837648.db2.gz WDBGUMUJOVHUDV-ZDUSSCGKSA-N 1 0 387.322 2.675 20 0 GFADRO O[C@@]1(c2ccc(Br)cc2)CCC[N@H+](CCOC2CCOCC2)C1 ZINC000932814125 664839779 /nfs/dbraw/zinc/83/97/79/664839779.db2.gz DVHUPDTUHUHEMA-SFHVURJKSA-N 1 0 384.314 2.928 20 0 GFADRO O=C1NC[C@H](O)CC12CC[NH+](Cc1cccc(Br)c1Cl)CC2 ZINC000932831826 664841262 /nfs/dbraw/zinc/84/12/62/664841262.db2.gz UXPHONBUDDCHEG-GFCCVEGCSA-N 1 0 387.705 2.566 20 0 GFADRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)c1cc2ccc(Br)cc2c(=O)o1 ZINC000932908229 664842832 /nfs/dbraw/zinc/84/28/32/664842832.db2.gz PFEJCASAQXXJHV-LBPRGKRZSA-N 1 0 393.281 2.969 20 0 GFADRO Cc1c(Br)cc(F)cc1C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000932917117 664843007 /nfs/dbraw/zinc/84/30/07/664843007.db2.gz RUOHGLIWSBLOPH-OAHLLOKOSA-N 1 0 398.320 2.749 20 0 GFADRO Cn1c(C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)cc2cc(Br)cnc21 ZINC000933333528 664859729 /nfs/dbraw/zinc/85/97/29/664859729.db2.gz MDSFXNPEBDSPDQ-ZDUSSCGKSA-N 1 0 391.313 2.894 20 0 GFADRO O=C(C[NH2+][C@]12C[C@H]1COC21CCC1)Nc1c(F)cc(F)cc1Br ZINC000933391945 664861965 /nfs/dbraw/zinc/86/19/65/664861965.db2.gz UIRQKYKPVGVZOU-XXFAHNHDSA-N 1 0 387.224 2.967 20 0 GFADRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1cc2cc(Br)cnc2n1C ZINC000933435120 664863847 /nfs/dbraw/zinc/86/38/47/664863847.db2.gz NMOSZTYNYABVCA-SMDDNHRTSA-N 1 0 379.302 2.748 20 0 GFADRO CN(C(=O)c1cc(Br)cnc1Br)[C@H]1CCC[N@H+](C)C1 ZINC000933486041 664866644 /nfs/dbraw/zinc/86/66/44/664866644.db2.gz LONCBEVBTXJDIM-JTQLQIEISA-N 1 0 391.107 2.773 20 0 GFADRO C[C@H]1CC[N@H+](CCNC(=O)c2cnn(Cc3ccccc3)c2Br)C1 ZINC000933928110 664881649 /nfs/dbraw/zinc/88/16/49/664881649.db2.gz ZIFNJPVOAUHJMT-AWEZNQCLSA-N 1 0 391.313 2.766 20 0 GFADRO Cn1cc([C@@H]2CSCCC[N@@H+]2C[C@@H](O)COc2ccc(Cl)cc2)cn1 ZINC000933977489 664883344 /nfs/dbraw/zinc/88/33/44/664883344.db2.gz BOKGZXDSMZTQEE-AEFFLSMTSA-N 1 0 381.929 2.993 20 0 GFADRO Cn1cc([C@H]2CSCCC[N@@H+]2C[C@@H](O)COc2ccccc2Cl)cn1 ZINC000933979740 664883477 /nfs/dbraw/zinc/88/34/77/664883477.db2.gz ZODPRSLTCXZWEZ-NVXWUHKLSA-N 1 0 381.929 2.993 20 0 GFADRO Cc1c(Br)cncc1NC(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000934259298 664894828 /nfs/dbraw/zinc/89/48/28/664894828.db2.gz XDBLELGDCCHUTA-JKSUJKDBSA-N 1 0 397.317 2.652 20 0 GFADRO C[C@H](C(=O)Nc1cc(Cl)ccc1Cl)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000934260745 664895136 /nfs/dbraw/zinc/89/51/36/664895136.db2.gz NYUVVCSMOMFXJA-OAUYIBNBSA-N 1 0 386.323 2.851 20 0 GFADRO O=C(CC[NH2+][C@H]1CCOC12CCOCC2)Nc1ccccc1Br ZINC000934405419 664905891 /nfs/dbraw/zinc/90/58/91/664905891.db2.gz UYFJZGAJENMIDB-HNNXBMFYSA-N 1 0 383.286 2.705 20 0 GFADRO O[C@H](C[NH2+][C@@H]1CCOC12CCOCC2)COc1ccc(Cl)c(Cl)c1 ZINC000934411420 664906452 /nfs/dbraw/zinc/90/64/52/664906452.db2.gz YYFNIYKKTZWLPB-MLGOLLRUSA-N 1 0 376.280 2.661 20 0 GFADRO OC[C@@H]([NH2+]CCC[C@H]1CCOC1)c1ccccc1I ZINC000934826870 664924584 /nfs/dbraw/zinc/92/45/84/664924584.db2.gz PBVMVAPZPMILNJ-SWLSCSKDSA-N 1 0 375.250 2.731 20 0 GFADRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)C2(n3cc(Br)cn3)CC2)C1 ZINC000935001666 664933251 /nfs/dbraw/zinc/93/32/51/664933251.db2.gz LTTCZBNINMTNLQ-AWEZNQCLSA-N 1 0 383.334 2.619 20 0 GFADRO C[C@@H]1[C@H](C)N(C(=O)c2cc3ccc(Br)cc3c(=O)o2)CC[N@H+]1C ZINC000935214295 664946318 /nfs/dbraw/zinc/94/63/18/664946318.db2.gz QNBLZPGGCAJDMN-MNOVXSKESA-N 1 0 379.254 2.720 20 0 GFADRO Cc1cc(Br)cc2c1CN(C(=O)COC1CC[NH+](C)CC1)CC2 ZINC000935238259 664947837 /nfs/dbraw/zinc/94/78/37/664947837.db2.gz HOOLRQXZOZDLRW-UHFFFAOYSA-N 1 0 381.314 2.753 20 0 GFADRO CCN(CCC[NH+](C)C)C(=O)C[C@H]1C(=O)Nc2ccc(Br)cc21 ZINC000935581096 664971411 /nfs/dbraw/zinc/97/14/11/664971411.db2.gz JDROOVIBYKIRFX-CQSZACIVSA-N 1 0 382.302 2.675 20 0 GFADRO CC(C)(C)[NH2+]CCC(=O)NCc1ccc(S(C)(=O)=O)c(C(F)(F)F)c1 ZINC000935687852 664981793 /nfs/dbraw/zinc/98/17/93/664981793.db2.gz CVZORXANTMNRFH-UHFFFAOYSA-N 1 0 380.432 2.503 20 0 GFADRO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)C[C@@H]1C(=O)Nc2ccc(Br)cc21 ZINC000936043434 665005637 /nfs/dbraw/zinc/00/56/37/665005637.db2.gz ARWUFZBMTJAEIX-RISCZKNCSA-N 1 0 382.302 2.720 20 0 GFADRO Cc1ccc(-c2ncc(C[NH2+][C@H]3CCO[C@]4(CCS(=O)(=O)C4)C3)s2)o1 ZINC000956938027 665012690 /nfs/dbraw/zinc/01/26/90/665012690.db2.gz KNVOHIYFOAYCDS-SUMWQHHRSA-N 1 0 382.507 2.537 20 0 GFADRO O=C(NC[C@@H]1[C@H]2C[N@H+](Cc3sccc3Cl)C[C@H]21)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000978553356 665017766 /nfs/dbraw/zinc/01/77/66/665017766.db2.gz HMZPGWISTIVTMR-NHKWREMOSA-N 1 0 378.925 2.619 20 0 GFADRO C[N@H+](CC[C@@H]1CC1(Cl)Cl)C1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1 ZINC000985549660 665019587 /nfs/dbraw/zinc/01/95/87/665019587.db2.gz FBCOHBDCYUVISC-KFTDAMQQSA-N 1 0 387.351 2.917 20 0 GFADRO CC[C@@H]1[C@@H](C(=O)N2CC[C@H](NC(=O)c3ccc(Cl)s3)[C@H]2C)CC[N@@H+]1C ZINC000990199335 665021801 /nfs/dbraw/zinc/02/18/01/665021801.db2.gz VNNGKYNWHQBDSI-ZOBORPQBSA-N 1 0 383.945 2.851 20 0 GFADRO C[N@@H+]1CC[C@@H](CC(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2cc(Cl)cs2)C3)C1 ZINC000996383490 665030485 /nfs/dbraw/zinc/03/04/85/665030485.db2.gz LZADNMCQLFNWHS-ATGSNQNLSA-N 1 0 381.929 2.605 20 0 GFADRO C[C@@H]1[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2cscc2Cl)C3)CC[N@@H+]1C ZINC000997467762 665036190 /nfs/dbraw/zinc/03/61/90/665036190.db2.gz NKNZYJGUPRFHJL-ZQGUGBBBSA-N 1 0 381.929 2.603 20 0 GFADRO C[NH+](C)[C@@H](C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccsc1Cl)C2)C1CC1 ZINC001002619323 665056414 /nfs/dbraw/zinc/05/64/14/665056414.db2.gz LJIOQIGBKGONKI-REBRKWNGSA-N 1 0 381.929 2.603 20 0 GFADRO C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1csc(Cl)c1 ZINC001003868138 665062396 /nfs/dbraw/zinc/06/23/96/665062396.db2.gz VDZMCHFQPWVGEM-APIJFGDWSA-N 1 0 381.929 2.748 20 0 GFADRO C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cc(Cl)cs1 ZINC001003867356 665062448 /nfs/dbraw/zinc/06/24/48/665062448.db2.gz NGSMJSLLQXCJIY-KBXIAJHMSA-N 1 0 381.929 2.748 20 0 GFADRO C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2ccc(Cl)s2)C1 ZINC001004359763 665064109 /nfs/dbraw/zinc/06/41/09/665064109.db2.gz JMLUZFBGIPJZQM-SYQHCUMBSA-N 1 0 381.929 2.605 20 0 GFADRO CN(C(=O)c1ccc(I)c(Cl)c1)[C@H](C[NH3+])C1CC1 ZINC000232338104 677404944 /nfs/dbraw/zinc/40/49/44/677404944.db2.gz ZKRDVOOKDDQGOC-GFCCVEGCSA-N 1 0 378.641 2.754 20 0 GFADRO C[N@H+](CCCO)C1CCN(C[C@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000115548359 677395361 /nfs/dbraw/zinc/39/53/61/677395361.db2.gz MNKYQLJYNAWEML-INIZCTEOSA-N 1 0 391.339 2.512 20 0 GFADRO O=S(=O)(Cc1ccc(Br)cc1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000120866787 677398026 /nfs/dbraw/zinc/39/80/26/677398026.db2.gz OMQBRYFQOQZKPA-HNNXBMFYSA-N 1 0 387.343 2.697 20 0 GFADRO C[C@@H](NS(=O)(=O)c1ccc(Cl)nc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000381190640 677406216 /nfs/dbraw/zinc/40/62/16/677406216.db2.gz XJKCMGGUHMMTGT-ZBFHGGJFSA-N 1 0 379.913 2.924 20 0 GFADRO CC(C)(C)OC(=O)N1CCO[C@H](C[NH2+]Cc2ccc(Br)o2)C1 ZINC000397436813 677411708 /nfs/dbraw/zinc/41/17/08/677411708.db2.gz CKKXODFYGGHFOE-GFCCVEGCSA-N 1 0 375.263 2.768 20 0 GFADRO C[C@@H]1C[C@@H](C[NH2+]C[C@H](O)COc2cc(F)cc(Br)c2)CCO1 ZINC000579582348 677673439 /nfs/dbraw/zinc/67/34/39/677673439.db2.gz WWUYVAQVESELAD-XUJVJEKNSA-N 1 0 376.266 2.733 20 0 GFADRO Cc1oc(Br)cc1C(=O)N1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000579583700 677673493 /nfs/dbraw/zinc/67/34/93/677673493.db2.gz HICGPLHLDKGJEO-AWEZNQCLSA-N 1 0 384.318 2.591 20 0 GFADRO Cc1ccc(C)c(OC[C@H](O)C[N@H+](C)CCn2cc(Br)cn2)c1 ZINC000580121563 677673729 /nfs/dbraw/zinc/67/37/29/677673729.db2.gz RMLVZOMRXGLCDB-MRXNPFEDSA-N 1 0 382.302 2.634 20 0 GFADRO FC(F)(c1cc(Cl)nc(-c2ccccc2)n1)N1CC[C@H]2[NH2+]CCO[C@@H]2C1 ZINC001164390306 718823582 /nfs/dbraw/zinc/82/35/82/718823582.db2.gz NRYPOCQUWUKLQC-ZIAGYGMSSA-N 1 0 380.826 2.909 20 0 GFADRO FC(F)(c1ccc2nc(Cl)nc(Cl)c2c1)N1CCN2CC[NH2+]C[C@H]2C1 ZINC001164398726 718832532 /nfs/dbraw/zinc/83/25/32/718832532.db2.gz KGBCFZLTAVVMFM-NSHDSACASA-N 1 0 388.249 2.575 20 0 GFADRO COc1ccc2nc(C(F)(F)N3CCO[C@@H]4C[NH2+]CC[C@@H]4C3)nc(Cl)c2c1 ZINC001164404948 718864651 /nfs/dbraw/zinc/86/46/51/718864651.db2.gz BWYVVRQQWMAZMR-IAQYHMDHSA-N 1 0 398.841 2.651 20 0 GFADRO FC(F)(c1nc2[nH]cnc2c(Cl)n1)N1C[C@@H]2[NH2+]Cc3ccccc3[C@@H]2C1 ZINC001164423577 718945934 /nfs/dbraw/zinc/94/59/34/718945934.db2.gz IHVKJMNBBSDMHQ-RYUDHWBXSA-N 1 0 376.798 2.578 20 0 GFADRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@@H]2N1C(F)(F)C1(c2ccc(Cl)nc2)CC1 ZINC001164617147 719019553 /nfs/dbraw/zinc/01/95/53/719019553.db2.gz MNKVICIDYGIKRY-UBHSHLNASA-N 1 0 385.842 2.585 20 0 GFADRO COC(=O)c1cnc(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)cc1OC ZINC001164629879 719061185 /nfs/dbraw/zinc/06/11/85/719061185.db2.gz ZROADGXMCBNOIU-HKUYNNGSSA-N 1 0 381.476 2.978 20 0 GFADRO [NH3+]C1([C@H]2CN(c3ncnc4c3CCN(Cc3ccccc3)C4)C[C@H]2CF)CC1 ZINC001164628783 719118214 /nfs/dbraw/zinc/11/82/14/719118214.db2.gz OCDDALBOTKZSQN-MJGOQNOKSA-N 1 0 381.499 2.548 20 0 GFADRO CCN(CC)Cc1nc2sc(C)c(C)c2c(N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)n1 ZINC001164673186 719443168 /nfs/dbraw/zinc/44/31/68/719443168.db2.gz STRVFGMHRVVJBD-CVEARBPZSA-N 1 0 389.569 2.669 20 0 GFADRO CC(C)N(C)Cc1nn(-c2nc(Cl)nc3c2COC3(C)C)c2c1CC[NH2+]C2 ZINC001164683322 719614389 /nfs/dbraw/zinc/61/43/89/719614389.db2.gz IDEZRERROKQIGF-UHFFFAOYSA-N 1 0 390.919 2.567 20 0 GFADRO Cc1cc(-n2nc(CN(C)C(C)C)c3c2C[NH2+]CC3)nc(-c2ccncc2)n1 ZINC001164679446 719636893 /nfs/dbraw/zinc/63/68/93/719636893.db2.gz AQPLFMMGKFRJIT-UHFFFAOYSA-N 1 0 377.496 2.519 20 0 GFADRO COC(=O)c1cccc2nc(-n3nc(CN(C)C(C)C)c4c3C[NH2+]CC4)ccc21 ZINC001164680567 719647969 /nfs/dbraw/zinc/64/79/69/719647969.db2.gz WHOLAIGLLIVFQG-UHFFFAOYSA-N 1 0 393.491 2.693 20 0 GFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1ccnc(Cl)n1)C2 ZINC001164811396 720064845 /nfs/dbraw/zinc/06/48/45/720064845.db2.gz OFSHTHSPHWZTMH-WMLDXEAASA-N 1 0 386.874 2.860 20 0 GFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ncc(Cl)cc1C(=O)OC)C2 ZINC001164814198 720075257 /nfs/dbraw/zinc/07/52/57/720075257.db2.gz VXDDYIJFJXEHGO-FOIQADDNSA-N 1 0 393.915 2.706 20 0 GFADRO COCc1cc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COC)nc(SC)n1 ZINC001164811054 720112682 /nfs/dbraw/zinc/11/26/82/720112682.db2.gz KRLQOTYJCJGLQO-OXJNMPFZSA-N 1 0 392.569 2.530 20 0 GFADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2ncc3ccccc3n2)CC1 ZINC001164818021 720286083 /nfs/dbraw/zinc/28/60/83/720286083.db2.gz HKTBDFKHQJGUAX-PMACEKPBSA-N 1 0 379.508 2.541 20 0 GFADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2ncnc3ccsc32)CC1 ZINC001164823916 720290719 /nfs/dbraw/zinc/29/07/19/720290719.db2.gz QRHHFZQKJDFOKQ-SJORKVTESA-N 1 0 385.537 2.603 20 0 GFADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2nccc3ncccc32)CC1 ZINC001164821922 720299059 /nfs/dbraw/zinc/29/90/59/720299059.db2.gz LYTJAPWNHMACRD-WOJBJXKFSA-N 1 0 379.508 2.541 20 0 GFADRO COc1cc(Cl)cnc1N1CC[C@@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164821976 720299719 /nfs/dbraw/zinc/29/97/19/720299719.db2.gz MBTKGUJVVJNJQU-IAGOWNOFSA-N 1 0 392.931 2.655 20 0 GFADRO Cc1cc(N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc(C2CC2)n1 ZINC001164830712 720344588 /nfs/dbraw/zinc/34/45/88/720344588.db2.gz WPWUVVGYFRJCGH-RTBURBONSA-N 1 0 383.540 2.574 20 0 GFADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2cc(C3CCC3)ncn2)CC1 ZINC001164828284 720348065 /nfs/dbraw/zinc/34/80/65/720348065.db2.gz OAIPIDPMGWYJAW-WOJBJXKFSA-N 1 0 383.540 2.656 20 0 GFADRO COc1ccnc(Cl)c1N1CC[C@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164822213 720348990 /nfs/dbraw/zinc/34/89/90/720348990.db2.gz CLXXCSQOCSKNLH-CVEARBPZSA-N 1 0 392.931 2.655 20 0 GFADRO CC(C)(C)OC(=O)c1ccnc(N2CC[C@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)n1 ZINC001164724249 720397519 /nfs/dbraw/zinc/39/75/19/720397519.db2.gz IOAXOBGSULRQKK-ZWKOTPCHSA-N 1 0 381.480 2.680 20 0 GFADRO Cc1cnc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)nc1NC1CC1 ZINC001164841645 720504348 /nfs/dbraw/zinc/50/43/48/720504348.db2.gz ZHBYBWROAFGOIF-DFQSSKMNSA-N 1 0 395.555 2.934 20 0 GFADRO C[NH+](C)C[C@H]1Cn2ccnc2CN(C(F)(F)c2nc(Cl)ncc2Cl)C1 ZINC001164728646 720509980 /nfs/dbraw/zinc/50/99/80/720509980.db2.gz GYHYIRQRNJFSAW-JTQLQIEISA-N 1 0 391.253 2.723 20 0 GFADRO Cc1cc(OCc2ccccc2)nc(N2Cc3nccn3C[C@H](C[NH+](C)C)C2)n1 ZINC001164735581 720530591 /nfs/dbraw/zinc/53/05/91/720530591.db2.gz PTMOKLMEIAGUIH-IBGZPJMESA-N 1 0 392.507 2.759 20 0 GFADRO COc1cc2nc(N3Cc4nccn4C[C@@H](C[NH+](C)C)C3)ccc2c(OC)c1 ZINC001164734449 720532323 /nfs/dbraw/zinc/53/23/23/720532323.db2.gz IOYZEMKSNZSHNO-OAHLLOKOSA-N 1 0 381.480 2.647 20 0 GFADRO Clc1nnc(N2CCc3ncc(C[NH+]4CCCC4)n3CC2)c2cnccc12 ZINC001164732692 720552447 /nfs/dbraw/zinc/55/24/47/720552447.db2.gz DKTHDBHXJYZOHU-UHFFFAOYSA-N 1 0 383.887 2.533 20 0 GFADRO COC(=O)c1cc(C)cc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)n1 ZINC001164840225 720563175 /nfs/dbraw/zinc/56/31/75/720563175.db2.gz SGJVFAYWYZIKGS-QWFCFKBJSA-N 1 0 397.523 2.751 20 0 GFADRO CCOC(=O)c1c(C)cc(N2CCc3ncc(C[NH+]4CCCC4)n3CC2)nc1C ZINC001164728850 720569930 /nfs/dbraw/zinc/56/99/30/720569930.db2.gz NSBNHAUMQCFRLW-UHFFFAOYSA-N 1 0 397.523 2.730 20 0 GFADRO CC(C)OC(=O)c1cccnc1N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001164736329 720593048 /nfs/dbraw/zinc/59/30/48/720593048.db2.gz IVOCRIGIMMGFMN-UHFFFAOYSA-N 1 0 383.496 2.502 20 0 GFADRO COC(=O)c1cnc(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)cn1 ZINC001164837093 720660010 /nfs/dbraw/zinc/66/00/10/720660010.db2.gz BQOOHOZTEYPLSF-GOSISDBHSA-N 1 0 396.491 2.523 20 0 GFADRO Cc1cccc2c1nc(Cl)nc2N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164737624 720667658 /nfs/dbraw/zinc/66/76/58/720667658.db2.gz GPXNENLZTBSSIW-HUUCEWRRSA-N 1 0 396.882 2.724 20 0 GFADRO Cc1ccc(C(N)=O)c(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC001164840876 720709893 /nfs/dbraw/zinc/70/98/93/720709893.db2.gz RFZLCFGNFIKMJO-IBGZPJMESA-N 1 0 394.519 2.749 20 0 GFADRO Cc1c(Cl)cnc(Cl)c1N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001164742193 720745972 /nfs/dbraw/zinc/74/59/72/720745972.db2.gz NPUNOPSQBSZLFR-STQMWFEESA-N 1 0 380.279 2.829 20 0 GFADRO C[NH+]1CCN(c2cccc(N3CC[C@@H]4[C@H]3CCC(=O)N4c3ccccc3)n2)CC1 ZINC001164844520 720765703 /nfs/dbraw/zinc/76/57/03/720765703.db2.gz CFPPHSFMOPVLFJ-WOJBJXKFSA-N 1 0 391.519 2.608 20 0 GFADRO c1cc2ncnc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c2s1 ZINC001164747300 720811122 /nfs/dbraw/zinc/81/11/22/720811122.db2.gz MZNBCFLNUSXRAP-SOLBZPMBSA-N 1 0 395.536 2.662 20 0 GFADRO Cc1c[nH]c2nc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)ccc12 ZINC001164741264 720820809 /nfs/dbraw/zinc/82/08/09/720820809.db2.gz MTFCSZLSLUNGBV-WSTZPKSXSA-N 1 0 391.523 2.842 20 0 GFADRO CC(C)c1ccnc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164751034 720839084 /nfs/dbraw/zinc/83/90/84/720839084.db2.gz XXQFWYDYAQDCGT-WSTZPKSXSA-N 1 0 381.528 2.571 20 0 GFADRO COCC[N@@H+]1CCO[C@H]2CN(c3nc(Cl)nc4c(C)cccc43)CC[C@@H]2C1 ZINC001164850109 720847684 /nfs/dbraw/zinc/84/76/84/720847684.db2.gz DFJRXZLIJLEFCB-WBVHZDCISA-N 1 0 390.915 2.765 20 0 GFADRO COCC[N@@H+]1CCO[C@@H]2CN(c3nc(Cl)nc4c3CCCCC4)CC[C@H]2C1 ZINC001164858358 720852120 /nfs/dbraw/zinc/85/21/20/720852120.db2.gz ZQOKEZGQXSMHNP-MAUKXSAKSA-N 1 0 394.947 2.572 20 0 GFADRO c1ncn(C[C@H]2C[C@@H]3CN(c4cccc(C5CC5)n4)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164748935 720857477 /nfs/dbraw/zinc/85/74/77/720857477.db2.gz MYHHWRDGDICOJP-SFHLNBCPSA-N 1 0 378.524 2.930 20 0 GFADRO Cc1cnc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)cn1 ZINC001164755753 720868874 /nfs/dbraw/zinc/86/88/74/720868874.db2.gz YSBYCWRXHMKINX-JTHBVZDNSA-N 1 0 393.535 2.935 20 0 GFADRO COCC[N@@H+]1CCO[C@H]2CN(c3cc(Cl)nc4[nH]cc(C)c43)CC[C@H]2C1 ZINC001164857494 720873014 /nfs/dbraw/zinc/87/30/14/720873014.db2.gz JTVCWSDUDAJSPB-HOCLYGCPSA-N 1 0 378.904 2.698 20 0 GFADRO Cc1nc2sccc2c(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164869399 721041315 /nfs/dbraw/zinc/04/13/15/721041315.db2.gz SRRKAQGRTCKDAD-DLBZAZTESA-N 1 0 381.505 2.874 20 0 GFADRO Cc1cc2c(ncnc2N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)s1 ZINC001164868695 721042688 /nfs/dbraw/zinc/04/26/88/721042688.db2.gz PXAZCOPHMDUTEK-SJORKVTESA-N 1 0 381.505 2.874 20 0 GFADRO Cc1cccc(CN2C(=O)C[C@@H]3[C@@H]2CCN3c2ncccc2C[NH+]2CCCC2)n1 ZINC001164774024 721055968 /nfs/dbraw/zinc/05/59/68/721055968.db2.gz UFKPBAKAMDYSOI-LEWJYISDSA-N 1 0 391.519 2.761 20 0 GFADRO FC(F)(c1ccc(Cl)nn1)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164870962 721061701 /nfs/dbraw/zinc/06/17/01/721061701.db2.gz XPIWCUZXKNJSAB-LSDHHAIUSA-N 1 0 395.841 2.550 20 0 GFADRO COc1ccc2ncnc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)c2c1 ZINC001164867152 721063357 /nfs/dbraw/zinc/06/33/57/721063357.db2.gz INGKASYCTJPOPO-PKOBYXMFSA-N 1 0 391.475 2.513 20 0 GFADRO Cc1cccc2c1ncnc2N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164867145 721066657 /nfs/dbraw/zinc/06/66/57/721066657.db2.gz ILOOLXCABQVHNT-RTBURBONSA-N 1 0 375.476 2.813 20 0 GFADRO F[C@H](Oc1ccnc(Cl)c1)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164866882 721068708 /nfs/dbraw/zinc/06/87/08/721068708.db2.gz GPCGXSYSUGSZAG-AYBZRNKSSA-N 1 0 392.862 2.737 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4cnc5cc(Cl)ccc5n4)C[C@H]3C2)cn1 ZINC001164772248 721110633 /nfs/dbraw/zinc/11/06/33/721110633.db2.gz USGFLMWXUUACEN-HZPDHXFCSA-N 1 0 382.899 2.975 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN([C@@H](F)Oc4cccc(Cl)n4)C[C@H]3C2)cn1 ZINC001164766484 721132278 /nfs/dbraw/zinc/13/22/78/721132278.db2.gz LRBQUNUFWYCXOK-IIDMSEBBSA-N 1 0 379.867 2.554 20 0 GFADRO COc1ccc2nc(N3C[C@@H]4CC[N@H+](Cc5cnn(C)c5)C[C@H]4C3)nc(C)c2c1 ZINC001164771316 721153722 /nfs/dbraw/zinc/15/37/22/721153722.db2.gz RZSPLYBFUXQGJU-ROUUACIJSA-N 1 0 392.507 2.639 20 0 GFADRO CCCN(CCC)c1cncc(N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)n1 ZINC001164772396 721171854 /nfs/dbraw/zinc/17/18/54/721171854.db2.gz UMWQWWBRFOHYTA-VQTJNVASSA-N 1 0 397.571 2.795 20 0 GFADRO COc1ccc2ccnc(N3C[C@@H]4C[N@@H+](Cc5cnn(C)c5)CC[C@@H]4C3)c2c1 ZINC001164762022 721175276 /nfs/dbraw/zinc/17/52/76/721175276.db2.gz BXMWDERFIUCBPH-MOPGFXCFSA-N 1 0 377.492 2.935 20 0 GFADRO c1cc2c(nc(C3CC3)nc2N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)[nH]1 ZINC001164881130 721180707 /nfs/dbraw/zinc/18/07/07/721180707.db2.gz ZEXNBHJXZYIJKA-ROUUACIJSA-N 1 0 390.491 2.710 20 0 GFADRO c1cncc(CO[C@@H]2C[C@H]3CN(c4nccc5c6c([nH]c54)CCC6)CC[N@@H+]3C2)c1 ZINC001164880673 721183646 /nfs/dbraw/zinc/18/36/46/721183646.db2.gz WVODXTGULYRAJK-ZWKOTPCHSA-N 1 0 389.503 2.926 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4ccnc(Cc5ccccc5)n4)C[C@@H]3C2)cn1 ZINC001164772865 721215403 /nfs/dbraw/zinc/21/54/03/721215403.db2.gz VPSYRSYRNZCARH-SFTDATJTSA-N 1 0 388.519 2.759 20 0 GFADRO Cc1cc(N2C[C@@H]3C[N@H+](Cc4cnn(C)c4)CC[C@@H]3C2)nc(-c2ccco2)n1 ZINC001164763280 721215813 /nfs/dbraw/zinc/21/58/13/721215813.db2.gz FDZIKARFNREQTL-MSOLQXFVSA-N 1 0 378.480 2.737 20 0 GFADRO Cc1ccc(-c2ccc(N3C[C@@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@H]4C3)nn2)o1 ZINC001164772433 721217803 /nfs/dbraw/zinc/21/78/03/721217803.db2.gz UTBSRDCNHGHZKT-ROUUACIJSA-N 1 0 378.480 2.737 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4nc(C5CCC5)nc5[nH]ccc54)C[C@H]3C2)cn1 ZINC001164765545 721248666 /nfs/dbraw/zinc/24/86/66/721248666.db2.gz SAIZJXGTTKVUIS-QZTJIDSGSA-N 1 0 391.523 2.917 20 0 GFADRO COC(=O)c1cnc(Cl)c(C(F)(F)N2CC3(C2)CC[N@H+](CC2CC2)C3)c1 ZINC001164768080 721295522 /nfs/dbraw/zinc/29/55/22/721295522.db2.gz FDBZYMGXXWHBCB-UHFFFAOYSA-N 1 0 385.842 2.989 20 0 GFADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3nc(C)ncc3C)C2)C1 ZINC001164779987 721345098 /nfs/dbraw/zinc/34/50/98/721345098.db2.gz XVLCFNTUUHDUHB-OAQYLSRUSA-N 1 0 385.512 2.817 20 0 GFADRO Cc1nc(Cl)c(N2CC[C@@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)nc1C ZINC001164883479 721412657 /nfs/dbraw/zinc/41/26/57/721412657.db2.gz ABXMZWQXQUUWNG-FXAWDEMLSA-N 1 0 393.963 2.512 20 0 GFADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4ccc(C(C)(C)C)nn4)C3)O2)CC1 ZINC001164897038 721436671 /nfs/dbraw/zinc/43/66/71/721436671.db2.gz SITGNGCONLLBAC-XMSQKQJNSA-N 1 0 387.572 2.540 20 0 GFADRO Cc1cc2cccnc2c(N2CC[C@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)n1 ZINC001164899933 721443540 /nfs/dbraw/zinc/44/35/40/721443540.db2.gz ZNSZNQCDJQVMTC-REWPJTCUSA-N 1 0 395.551 2.704 20 0 GFADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4cc(C5CCC5)ncn4)C3)O2)CC1 ZINC001164893714 721444305 /nfs/dbraw/zinc/44/43/05/721444305.db2.gz KAAPHYBCDXSROV-UGKGYDQZSA-N 1 0 385.556 2.510 20 0 GFADRO Cc1cnc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)nc1N1CCCC1 ZINC001164900296 721507495 /nfs/dbraw/zinc/50/74/95/721507495.db2.gz PXQDVLSACTZDQQ-AZUAARDMSA-N 1 0 397.498 2.866 20 0 GFADRO CSc1nc(Cl)nc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)n1 ZINC001164901743 721523395 /nfs/dbraw/zinc/52/33/95/721523395.db2.gz YMCHLVCYJAQLRJ-GXTWGEPZSA-N 1 0 395.891 2.728 20 0 GFADRO CSc1nc(Cl)nc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)n1 ZINC001164901745 721523719 /nfs/dbraw/zinc/52/37/19/721523719.db2.gz YMCHLVCYJAQLRJ-JSGCOSHPSA-N 1 0 395.891 2.728 20 0 GFADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ccc3cccnc3n2)[C@H]2CCCO[C@H]12 ZINC001164803647 721550452 /nfs/dbraw/zinc/55/04/52/721550452.db2.gz ILHADTURZPONLB-ZVDOUQERSA-N 1 0 375.476 2.893 20 0 GFADRO Fc1cccc(O[C@@H]2C[C@H]3CN(c4cc(-c5nnco5)ccn4)CC[N@@H+]3C2)c1 ZINC001164907557 721558410 /nfs/dbraw/zinc/55/84/10/721558410.db2.gz OLKQQUMPTBFNGB-FUHWJXTLSA-N 1 0 381.411 2.613 20 0 GFADRO CC(=O)Nc1c(C)ccnc1N1C[C@H]([N@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@H]21 ZINC001164798742 721572069 /nfs/dbraw/zinc/57/20/69/721572069.db2.gz CCXTUYOYQAPFSI-SVFBPWRDSA-N 1 0 395.507 2.612 20 0 GFADRO CCc1c(Cl)ncnc1N1C[C@H]([N@H+](C)Cc2cccnc2)[C@H]2OCCC[C@@H]21 ZINC001164804102 721582472 /nfs/dbraw/zinc/58/24/72/721582472.db2.gz IOSQMDJRAZAXIB-BZSNNMDCSA-N 1 0 387.915 2.956 20 0 GFADRO CC(C)N(C)Cc1nnc2n1CCCN(c1ccc(C[NH+]3CCCC3)cn1)C2 ZINC001165009514 721712346 /nfs/dbraw/zinc/71/23/46/721712346.db2.gz UPMNEPADWKAAGA-UHFFFAOYSA-N 1 0 383.544 2.519 20 0 GFADRO CC(C)C(=O)N1CCC[C@]12CCN(c1cccc(OCC[NH+]3CCCC3)n1)C2 ZINC001165009364 721725926 /nfs/dbraw/zinc/72/59/26/721725926.db2.gz WWKUIOGYJJNEHN-JOCHJYFZSA-N 1 0 386.540 2.784 20 0 GFADRO COCc1ccc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)nn1 ZINC001164909888 721734792 /nfs/dbraw/zinc/73/47/92/721734792.db2.gz FLCUEOYAZXEKSV-LJQANCHMSA-N 1 0 389.450 2.756 20 0 GFADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc(-n4ccnc4)nn3)C[C@@H]21 ZINC001165027110 721817559 /nfs/dbraw/zinc/81/75/59/721817559.db2.gz SGVNKKSDXCBBBO-YSIASYRMSA-N 1 0 389.507 2.794 20 0 GFADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2cc(N(C)C)ncn2)CC1 ZINC001165017732 721837659 /nfs/dbraw/zinc/83/76/59/721837659.db2.gz OQGRMJWXMCFTHU-UHFFFAOYSA-N 1 0 385.512 2.661 20 0 GFADRO CCOC(=O)c1cnc(Cl)nc1C(F)(F)N1CC[NH+](C2CCCC2)CC1 ZINC001165029899 721853136 /nfs/dbraw/zinc/85/31/36/721853136.db2.gz PWVZXSHEWQPTDW-UHFFFAOYSA-N 1 0 388.846 2.916 20 0 GFADRO C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2c1cc(Cl)nc(Cc2ccccc2)n1 ZINC001164924520 721859182 /nfs/dbraw/zinc/85/91/82/721859182.db2.gz CIGKQWGRNIUILC-MSOLQXFVSA-N 1 0 385.943 2.935 20 0 GFADRO CCOC(=O)c1cc2c(N3CC[C@H]4[C@@H]3CC[N@@H+]4CCN(C)C)[nH]c(C)c(C)c-2n1 ZINC001164922624 721869311 /nfs/dbraw/zinc/86/93/11/721869311.db2.gz HIVLFBGNBPDZHS-OALUTQOASA-N 1 0 399.539 2.571 20 0 GFADRO C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2c1cc(Cl)ncc1C(=O)OC(C)(C)C ZINC001164927034 721869403 /nfs/dbraw/zinc/86/94/03/721869403.db2.gz UHXPINBPCBJBFX-HZPDHXFCSA-N 1 0 394.947 2.905 20 0 GFADRO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2C(F)(F)Cc1nc(Cl)cc(Cl)n1 ZINC001164926320 721875354 /nfs/dbraw/zinc/87/53/54/721875354.db2.gz RIXCYYIATCQJIV-NWDGAFQWSA-N 1 0 394.297 2.629 20 0 GFADRO C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2c1ccc(NC(=O)OC(C)(C)C)cn1 ZINC001164923134 721876710 /nfs/dbraw/zinc/87/67/10/721876710.db2.gz IMGWOBDDMYJYMA-SJORKVTESA-N 1 0 375.517 2.643 20 0 GFADRO C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2c1ncnc2c(-c3ccccc3)nsc21 ZINC001164929577 721880453 /nfs/dbraw/zinc/88/04/53/721880453.db2.gz BTPSNUVKBQWVHA-IRXDYDNUSA-N 1 0 394.548 2.968 20 0 GFADRO CN(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCN2c1nc(-c2ccccn2)nc2sccc21 ZINC001164936336 721886092 /nfs/dbraw/zinc/88/60/92/721886092.db2.gz ZNIXUDNBPULBKR-QZTJIDSGSA-N 1 0 394.548 2.968 20 0 GFADRO COc1ccc(Oc2cc(N3CC[C@H]4[C@@H]3CCN4CC[NH+](C)C)nc(C)n2)cc1 ZINC001164935469 721886754 /nfs/dbraw/zinc/88/67/54/721886754.db2.gz WXNYPGKSIUUTNJ-PMACEKPBSA-N 1 0 397.523 2.801 20 0 GFADRO COc1ccc(Cn2cc3[nH]c(N4CCC[C@H]([NH+](C)C)C4)ccc-3c2=O)cc1 ZINC001165037201 721895124 /nfs/dbraw/zinc/89/51/24/721895124.db2.gz WOUTVGLXTTWJAC-KRWDZBQOSA-N 1 0 380.492 2.777 20 0 GFADRO C[N@H+](Cc1ccc(N2CC[C@H]3[C@@H](CC(=O)NC4CCC4)OC[C@H]3C2)nc1)C1CC1 ZINC001164936691 721897533 /nfs/dbraw/zinc/89/75/33/721897533.db2.gz ZPMSKOOKEQGFEO-DUXKGJEZSA-N 1 0 398.551 2.576 20 0 GFADRO O=C(C[C@@H]1OC[C@H]2CN(c3ncccc3C[NH+]3CCCC3)CC[C@H]21)NC1CCC1 ZINC001164934662 721897766 /nfs/dbraw/zinc/89/77/66/721897766.db2.gz RUFKBHYSFZIWBB-NRSPTQNISA-N 1 0 398.551 2.578 20 0 GFADRO COC(=O)c1ccc2ncnc(N3CC[NH+](CCOc4ccccc4)CC3)c2c1 ZINC001165041986 721953658 /nfs/dbraw/zinc/95/36/58/721953658.db2.gz GDAGOJUTMCVVOD-UHFFFAOYSA-N 1 0 392.459 2.617 20 0 GFADRO C[N@H+](Cc1ccc(N2CCN(c3nnc(C(F)(F)F)s3)CC2)nc1)C1CC1 ZINC001165051324 721999615 /nfs/dbraw/zinc/99/96/15/721999615.db2.gz FHKKWIKZGFSOLW-UHFFFAOYSA-N 1 0 398.458 2.873 20 0 GFADRO COC(=O)c1cc(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)ncc1F ZINC001164953633 722015865 /nfs/dbraw/zinc/01/58/65/722015865.db2.gz WHSNZUSMHXSONU-UHFFFAOYSA-N 1 0 384.455 2.895 20 0 GFADRO CSc1cnc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)nc1 ZINC001164964825 722057193 /nfs/dbraw/zinc/05/71/93/722057193.db2.gz YCVOJKKJLIBIOD-UHFFFAOYSA-N 1 0 385.537 2.713 20 0 GFADRO c1ccc2nc(N3C[C@@H]4C[N@H+](CC5CC5)C[C@H](C3)O4)c(N3CCCC3)nc2c1 ZINC001164967795 722074981 /nfs/dbraw/zinc/07/49/81/722074981.db2.gz WUESEUAFDDTORI-HDICACEKSA-N 1 0 379.508 2.529 20 0 GFADRO Fc1ccc2cnnc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)c2c1 ZINC001164971460 722123685 /nfs/dbraw/zinc/12/36/85/722123685.db2.gz CMDBZJRRXHJVSH-WIYYLYMNSA-N 1 0 393.466 2.891 20 0 GFADRO CCSc1cncc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164978930 722146751 /nfs/dbraw/zinc/14/67/51/722146751.db2.gz LBVJGSYIYPUVOV-MSOLQXFVSA-N 1 0 385.537 2.711 20 0 GFADRO c1cncc(C[N@@H+]2CCO[C@@H]3CN(c4cc(C5CCC5)ncn4)CC[C@@H]3C2)c1 ZINC001164980914 722150122 /nfs/dbraw/zinc/15/01/22/722150122.db2.gz NTKUJVLSABBTFX-TZIWHRDSSA-N 1 0 379.508 2.866 20 0 GFADRO CN(C)c1cc(NCc2cnc(-c3cnn(C)c3)nc2)[nH+]cc1Br ZINC000517216335 532408281 /nfs/dbraw/zinc/40/82/81/532408281.db2.gz NJSMSTHFMHPOEK-UHFFFAOYSA-N 1 0 388.273 2.713 20 0 GFADRO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)Nc1ccc(-c2ccc(Br)s2)nn1 ZINC000632940976 532651037 /nfs/dbraw/zinc/65/10/37/532651037.db2.gz FFSULBXSJAGYHI-RKDXNWHRSA-N 1 0 382.287 2.921 20 0 GFADRO CCc1ccc2c(C[NH+]3CCC(CC(=O)N4CCOCC4)CC3)cc(=O)oc2c1 ZINC000359956917 212127035 /nfs/dbraw/zinc/12/70/35/212127035.db2.gz MALDJJYHKJWNLD-UHFFFAOYSA-N 1 0 398.503 2.816 20 0 GFADRO Cc1nn(C)c(C)c1[C@@H](NC(=O)N1CCC[C@@H]([NH+]2CCCC2)C1)C(F)(F)F ZINC000359864519 212120528 /nfs/dbraw/zinc/12/05/28/212120528.db2.gz CNQLKRDEQRGPDI-GDBMZVCRSA-N 1 0 387.450 2.910 20 0 GFADRO CC(C)C[C@H]([NH2+]C1CCN(C(=O)c2ccco2)CC1)C(=O)Nc1nccs1 ZINC000359898300 212122767 /nfs/dbraw/zinc/12/27/67/212122767.db2.gz LDXQEIHMCQXJIA-HNNXBMFYSA-N 1 0 390.509 2.984 20 0 GFADRO Cc1c(C(=O)Nc2nc3ccccc3[nH]2)nnn1-c1cccc2c1CC[N@@H+](C)C2 ZINC000359900745 212122805 /nfs/dbraw/zinc/12/28/05/212122805.db2.gz BSMKMYTWLPEYHJ-UHFFFAOYSA-N 1 0 387.447 2.692 20 0 GFADRO Cc1nn(C)c(C)c1[C@H](NC(=O)N1CCC[C@@H]1C[NH+]1CCCC1)C(F)(F)F ZINC000359864809 212120344 /nfs/dbraw/zinc/12/03/44/212120344.db2.gz DRDWEBGXZVQYOX-ZBFHGGJFSA-N 1 0 387.450 2.910 20 0 GFADRO NC(=O)c1ccccc1N1CC[C@H]([NH2+]Cc2ccc(OCC(F)F)cc2)C1 ZINC000359867579 212120074 /nfs/dbraw/zinc/12/00/74/212120074.db2.gz JIHFUPDHNHLMSH-HNNXBMFYSA-N 1 0 375.419 2.798 20 0 GFADRO CCn1ccnc1CN(C(=O)[C@H]1COc2ccccc21)[C@@H]1CC12CC[NH2+]CC2 ZINC000328642117 212088377 /nfs/dbraw/zinc/08/83/77/212088377.db2.gz QVTRJOJZGQITIH-PKOBYXMFSA-N 1 0 380.492 2.550 20 0 GFADRO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)Nc1ccc(Oc2cccnc2)c(C)c1 ZINC000067344725 222145901 /nfs/dbraw/zinc/14/59/01/222145901.db2.gz OPMZAKRUFLUCRU-MRXNPFEDSA-N 1 0 384.480 2.967 20 0 GFADRO COc1ccc(Br)cc1S(=O)(=O)N1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000405321579 563538455 /nfs/dbraw/zinc/53/84/55/563538455.db2.gz RQFDOUIVWHGAIP-YPMHNXCESA-N 1 0 391.331 2.596 20 0 GFADRO CCC1(O)CC[NH+](C[C@@H](O)COc2cc(F)cc(Br)c2)CC1 ZINC000439433038 563724951 /nfs/dbraw/zinc/72/49/51/563724951.db2.gz XZVAOSJUDFPZLT-CQSZACIVSA-N 1 0 376.266 2.565 20 0 GFADRO C[NH+](C)CCN(C1CC1)S(=O)(=O)c1c(Cl)cc(F)cc1Br ZINC000414463653 563740990 /nfs/dbraw/zinc/74/09/90/563740990.db2.gz NXJPZJIJKJIMRH-UHFFFAOYSA-N 1 0 399.713 2.956 20 0 GFADRO COC(=O)C1CC[NH+](CCC(=O)Nc2ccc(Br)cc2F)CC1 ZINC000028852065 551125232 /nfs/dbraw/zinc/12/52/32/551125232.db2.gz JSDVDTSGURXOBR-UHFFFAOYSA-N 1 0 387.249 2.802 20 0 GFADRO CCS(=O)(=O)c1ccc(NC(=O)NC[C@H](c2ccsc2)[NH+](C)C)cc1 ZINC000043952142 551143221 /nfs/dbraw/zinc/14/32/21/551143221.db2.gz ZCRYVINPYPZCQU-MRXNPFEDSA-N 1 0 381.523 2.966 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)Nc1ccccc1SCC(N)=O)c1cccs1 ZINC000045696320 551147222 /nfs/dbraw/zinc/14/72/22/551147222.db2.gz RYQOVKVMXUTERH-CYBMUJFWSA-N 1 0 378.523 2.750 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)Nc1ccccc1SCC(N)=O)c1cccs1 ZINC000045696317 551147348 /nfs/dbraw/zinc/14/73/48/551147348.db2.gz RYQOVKVMXUTERH-ZDUSSCGKSA-N 1 0 378.523 2.750 20 0 GFADRO COc1cc(I)c(Cl)cc1C(=O)NC[C@@H](C)[NH+](C)C ZINC000046271721 551150071 /nfs/dbraw/zinc/15/00/71/551150071.db2.gz OFWADWZTACSYDH-MRVPVSSYSA-N 1 0 396.656 2.633 20 0 GFADRO CS(=O)(=O)NCC[NH2+]Cc1ccc(OCc2c(F)cccc2Cl)cc1 ZINC000051188391 551162554 /nfs/dbraw/zinc/16/25/54/551162554.db2.gz MJZRDWJUQICCKH-UHFFFAOYSA-N 1 0 386.876 2.697 20 0 GFADRO O=C(N[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(-n2cc(Br)cn2)cc1 ZINC000057553979 551181076 /nfs/dbraw/zinc/18/10/76/551181076.db2.gz XKQXTYXFBQSCKU-AWEZNQCLSA-N 1 0 375.270 2.601 20 0 GFADRO COc1cc(C[NH2+]Cc2ccc(F)c(Br)c2)ccc1OCC(N)=O ZINC000067452159 551188684 /nfs/dbraw/zinc/18/86/84/551188684.db2.gz JRSURSDAIIMEJP-UHFFFAOYSA-N 1 0 397.244 2.751 20 0 GFADRO CCN1CC[NH+](C[C@H](C)CNC(=O)c2ccc(Br)c(F)c2)CC1 ZINC000067612538 551190078 /nfs/dbraw/zinc/19/00/78/551190078.db2.gz FNKSIKVFWSWEPZ-CYBMUJFWSA-N 1 0 386.309 2.592 20 0 GFADRO CC(C)[C@H](CNC(=O)c1ccc(Br)c(F)c1)[NH+]1CCN(C)CC1 ZINC000068332773 551191480 /nfs/dbraw/zinc/19/14/80/551191480.db2.gz CAGPZMISHVOAJN-INIZCTEOSA-N 1 0 386.309 2.590 20 0 GFADRO C[N@H+](Cc1cnc2ccc(Br)cn12)CC(C)(C)CN1CCOCC1 ZINC000093769535 551195701 /nfs/dbraw/zinc/19/57/01/551195701.db2.gz HDHITZGQXODIKW-UHFFFAOYSA-N 1 0 395.345 2.887 20 0 GFADRO C[C@@H](CNS(=O)(=O)c1ccc(Br)cc1Cl)[NH+]1CCCC1 ZINC000097173661 551196389 /nfs/dbraw/zinc/19/63/89/551196389.db2.gz FIFAQWDJJIYLAH-JTQLQIEISA-N 1 0 381.723 2.865 20 0 GFADRO COc1ccc(CNC(=O)NC2CC[NH+](C3CC3)CC2)cc1Br ZINC000101624699 551196880 /nfs/dbraw/zinc/19/68/80/551196880.db2.gz NFFUDCJVCJLEAK-UHFFFAOYSA-N 1 0 382.302 2.884 20 0 GFADRO O=C(NCc1ccccc1Br)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000112205398 551204948 /nfs/dbraw/zinc/20/49/48/551204948.db2.gz NKSAXQDBCTVOOF-HNNXBMFYSA-N 1 0 396.329 2.703 20 0 GFADRO CN(CC[NH+]1CCCC1)C(=O)N[C@@H]1CCN(c2ccccc2Br)C1 ZINC000112750594 551207285 /nfs/dbraw/zinc/20/72/85/551207285.db2.gz VLQIITMEUZVTSM-OAHLLOKOSA-N 1 0 395.345 2.765 20 0 GFADRO CN(C)CC[NH+]1CCC(CNC(=O)c2cc(Br)ccc2F)CC1 ZINC000114142711 551209312 /nfs/dbraw/zinc/20/93/12/551209312.db2.gz TXOVFOKPKRASIJ-UHFFFAOYSA-N 1 0 386.309 2.592 20 0 GFADRO CCn1nccc1C[NH2+]CCC(=O)N(C)Cc1ccccc1Br ZINC000119166636 551215805 /nfs/dbraw/zinc/21/58/05/551215805.db2.gz OWWSZRRWIBECMX-UHFFFAOYSA-N 1 0 379.302 2.804 20 0 GFADRO C[C@@H](Cn1cc(Br)cn1)[NH2+]CCCCNC(=O)OC(C)(C)C ZINC000119668864 551218561 /nfs/dbraw/zinc/21/85/61/551218561.db2.gz RTWRGNXBEMREHN-LBPRGKRZSA-N 1 0 375.311 2.929 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1CCNS(=O)(=O)Cc1ccc(Br)cc1 ZINC000119670917 551218581 /nfs/dbraw/zinc/21/85/81/551218581.db2.gz VZMWPVQKXMZEDM-CYBMUJFWSA-N 1 0 375.332 2.743 20 0 GFADRO CN(Cc1ccccc1Br)C(=O)C[N@H+](C)C1CCC(CO)CC1 ZINC000120342518 551219443 /nfs/dbraw/zinc/21/94/43/551219443.db2.gz WXRBQBXPJKCRRV-UHFFFAOYSA-N 1 0 383.330 2.890 20 0 GFADRO C[C@H](Cc1ccc(Cl)cc1)[N@H+](C)CCOc1ccc(S(N)(=O)=O)cc1 ZINC000121005312 551225276 /nfs/dbraw/zinc/22/52/76/551225276.db2.gz PZWXJWFDOSNXCX-CQSZACIVSA-N 1 0 382.913 2.929 20 0 GFADRO CC[NH+](CC)C[C@H]1CCN(S(=O)(=O)Cc2ccc(Br)cc2)C1 ZINC000121075830 551226859 /nfs/dbraw/zinc/22/68/59/551226859.db2.gz UTMBRYMPOPSYJY-OAHLLOKOSA-N 1 0 389.359 2.943 20 0 GFADRO Cc1cccc(NC(=O)C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)c1Br ZINC000121122770 551227831 /nfs/dbraw/zinc/22/78/31/551227831.db2.gz GNMJPMNEIKTYJX-STQMWFEESA-N 1 0 382.302 2.685 20 0 GFADRO CS(=O)(=O)NCCC[NH2+][C@H]1CCSc2ccc(Br)cc21 ZINC000121225535 551230059 /nfs/dbraw/zinc/23/00/59/551230059.db2.gz CRJXNEKDXLDQJM-LBPRGKRZSA-N 1 0 379.345 2.515 20 0 GFADRO C[NH2+]CCCNC(=O)[C@@H](CCSC)NC(=O)c1ccc(Cl)cc1Cl ZINC000121570851 551237291 /nfs/dbraw/zinc/23/72/91/551237291.db2.gz ZWQWVMKFJUVXOV-CQSZACIVSA-N 1 0 392.352 2.571 20 0 GFADRO CC[NH+](CC)[C@H](C)CNC(=O)c1ccc(OC)cc1I ZINC000121739006 551241566 /nfs/dbraw/zinc/24/15/66/551241566.db2.gz BIZBSFZCWBJQRK-LLVKDONJSA-N 1 0 390.265 2.760 20 0 GFADRO C[NH+](C)[C@H]1CCCN(C(=O)c2cc(I)c(F)cc2F)C1 ZINC000122071800 551294177 /nfs/dbraw/zinc/29/41/77/551294177.db2.gz OEDCOITUTUJDJV-VIFPVBQESA-N 1 0 394.203 2.736 20 0 GFADRO Cc1ccc(NC(=O)C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)c(Br)c1 ZINC000122133841 551295019 /nfs/dbraw/zinc/29/50/19/551295019.db2.gz NCJYVZMXVZWEJV-BBRMVZONSA-N 1 0 394.313 2.639 20 0 GFADRO [NH3+]C[C@H]1CCCC[C@@H]1NS(=O)(=O)c1cc(Br)ccc1Cl ZINC000124581555 551315956 /nfs/dbraw/zinc/31/59/56/551315956.db2.gz WDBOPPOSGZUORC-SKDRFNHKSA-N 1 0 381.723 2.898 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+]C(C)(C)C(=O)N(C)C ZINC000125274855 551321543 /nfs/dbraw/zinc/32/15/43/551321543.db2.gz HHSBLACUINVQLE-UHFFFAOYSA-N 1 0 379.302 2.900 20 0 GFADRO COc1ccc(Br)c(S(=O)(=O)N[C@H](C)C(C)(C)C[NH+](C)C)c1 ZINC000126095855 551326023 /nfs/dbraw/zinc/32/60/23/551326023.db2.gz OBMRHCDRYAFMJU-LLVKDONJSA-N 1 0 393.347 2.712 20 0 GFADRO COC(=O)C1CCN(C(=O)[C@@H](C)[N@H+](C)Cc2ccc(Br)cc2)CC1 ZINC000126100755 551325887 /nfs/dbraw/zinc/32/58/87/551325887.db2.gz BGNJYWHBAYVMJW-CYBMUJFWSA-N 1 0 397.313 2.681 20 0 GFADRO Cc1ccc(Br)c(NC(=O)C(=O)N2CCC([NH+]3CCCC3)CC2)c1 ZINC000126931871 551334548 /nfs/dbraw/zinc/33/45/48/551334548.db2.gz PGSJWWPYQWFFQK-UHFFFAOYSA-N 1 0 394.313 2.783 20 0 GFADRO CCCOc1ccc(Br)cc1C[NH2+]C[C@H]1CCCS1(=O)=O ZINC000126987946 551335575 /nfs/dbraw/zinc/33/55/75/551335575.db2.gz HKRQORYGCAHJFN-CQSZACIVSA-N 1 0 376.316 2.905 20 0 GFADRO C[C@H](CCS(C)(=O)=O)[NH2+][C@@H](C)CC(=O)Nc1cccc(Br)c1 ZINC000127133604 551337225 /nfs/dbraw/zinc/33/72/25/551337225.db2.gz ISUVYIRCUZKJQR-NEPJUHHUSA-N 1 0 391.331 2.579 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)NCc2cc3c(c(Br)c2)OCO3)C[N@@H+]1C1CC1 ZINC000127452745 551340992 /nfs/dbraw/zinc/34/09/92/551340992.db2.gz KEVVYKVIBONMCK-PWSUYJOCSA-N 1 0 396.285 2.602 20 0 GFADRO CCCCN(C(=O)C[NH2+][C@H](C)c1cccc(Cl)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000128485309 551349648 /nfs/dbraw/zinc/34/96/48/551349648.db2.gz LEPOYUXWJKYUBH-RHSMWYFYSA-N 1 0 386.945 2.806 20 0 GFADRO Cc1nc(NC(=O)N2CCC([N@H+]3CCO[C@@H](C)C3)CC2)ccc1Br ZINC000128565424 551350725 /nfs/dbraw/zinc/35/07/25/551350725.db2.gz PUWQENSUBOAYMI-LBPRGKRZSA-N 1 0 397.317 2.870 20 0 GFADRO C[C@H](CC[NH2+]Cc1cc(Br)c2c(c1)OCCCO2)[S@](C)=O ZINC000129335121 551355914 /nfs/dbraw/zinc/35/59/14/551355914.db2.gz GRFRRJCUHJCQIY-WSVYEEACSA-N 1 0 376.316 2.857 20 0 GFADRO CC(C)[C@H](C(=O)NC[C@H]1CCN(c2ccc(Br)cc2)C1)[NH+](C)C ZINC000129705105 551358850 /nfs/dbraw/zinc/35/88/50/551358850.db2.gz FAESZFBCXLAQIM-RHSMWYFYSA-N 1 0 382.346 2.978 20 0 GFADRO CC[C@@H]([NH3+])C(=O)N[C@H](c1ccc(Cl)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000129970631 551360657 /nfs/dbraw/zinc/36/06/57/551360657.db2.gz VHWRVSLTCVLYHH-IAGOWNOFSA-N 1 0 380.897 2.686 20 0 GFADRO O=C(CC[N@@H+]1CCO[C@@H]([C@@H]2CCCO2)C1)Nc1ccc(Br)cc1 ZINC000129990642 551360705 /nfs/dbraw/zinc/36/07/05/551360705.db2.gz VHSZTJBHZNLASO-JKSUJKDBSA-N 1 0 383.286 2.658 20 0 GFADRO COc1cc(Br)ccc1CCCNC(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000130567226 551366193 /nfs/dbraw/zinc/36/61/93/551366193.db2.gz IXJBTGMKIJLTCO-CQSZACIVSA-N 1 0 398.345 2.983 20 0 GFADRO C[C@H](CNC(=O)[C@@H](C)Sc1nc2ccccc2s1)N1CC[NH+](C)CC1 ZINC000130566555 551366290 /nfs/dbraw/zinc/36/62/90/551366290.db2.gz ROTNYYLUESOURX-ZIAGYGMSSA-N 1 0 378.567 2.529 20 0 GFADRO C[C@@H](Sc1nc2ccccc2s1)C(=O)NCCC[NH+]1CCC(O)CC1 ZINC000130629629 551367280 /nfs/dbraw/zinc/36/72/80/551367280.db2.gz RIKDGARVKKMBEB-CYBMUJFWSA-N 1 0 379.551 2.740 20 0 GFADRO C[NH2+][C@@H]1CCCN(C(=O)CCc2nc(-c3cc(Br)cs3)no2)C1 ZINC000132863576 551379871 /nfs/dbraw/zinc/37/98/71/551379871.db2.gz YQPMVEISJMWGPP-LLVKDONJSA-N 1 0 399.314 2.704 20 0 GFADRO C[NH2+][C@H]1CCCN(C(=O)CCc2nc(-c3cc(Br)cs3)no2)C1 ZINC000132863768 551379883 /nfs/dbraw/zinc/37/98/83/551379883.db2.gz YQPMVEISJMWGPP-NSHDSACASA-N 1 0 399.314 2.704 20 0 GFADRO C[C@H]1C[C@@H](NC(=O)CCn2c(=S)[nH]nc2-c2cccs2)C[N@@H+]1C1CC1 ZINC000133601840 551383842 /nfs/dbraw/zinc/38/38/42/551383842.db2.gz PKOBEGPRKYENTO-NWDGAFQWSA-N 1 0 377.539 2.801 20 0 GFADRO C[C@H]1C[C@H](NC(=O)CCn2c(=S)[nH]nc2-c2cccs2)C[N@@H+]1C1CC1 ZINC000133601463 551383939 /nfs/dbraw/zinc/38/39/39/551383939.db2.gz PKOBEGPRKYENTO-RYUDHWBXSA-N 1 0 377.539 2.801 20 0 GFADRO COC(=O)c1cc(CN2CCN(c3ccc(Br)cn3)CC2)c(C)o1 ZINC000143328759 551395183 /nfs/dbraw/zinc/39/51/83/551395183.db2.gz LEFTWNZSFDVGTF-UHFFFAOYSA-N 1 0 394.269 2.854 20 0 GFADRO COCC(=O)N1CCC([NH2+]Cc2ccc(Cl)cc2Br)CC1 ZINC000149771721 551399273 /nfs/dbraw/zinc/39/92/73/551399273.db2.gz ZDMHMVPYKHNDLF-UHFFFAOYSA-N 1 0 375.694 2.830 20 0 GFADRO CCO[C@@H](CC[NH+](C)C)CNS(=O)(=O)c1cc(Cl)sc1Cl ZINC000150870668 551403137 /nfs/dbraw/zinc/40/31/37/551403137.db2.gz PVSVBKOCIZEUGA-VIFPVBQESA-N 1 0 375.343 2.690 20 0 GFADRO CCO[C@@H](CC[NH+](C)C)CNS(=O)(=O)Cc1c(Cl)cccc1Cl ZINC000150878747 551403146 /nfs/dbraw/zinc/40/31/46/551403146.db2.gz ITJPXPPCWYMEEJ-LBPRGKRZSA-N 1 0 383.341 2.770 20 0 GFADRO [NH3+]CC1(C(=O)N2CCN(C(=O)c3cc(Cl)cc(Cl)c3)CC2)CCCC1 ZINC000150926014 551403908 /nfs/dbraw/zinc/40/39/08/551403908.db2.gz YCFRKAIXWBRDFJ-UHFFFAOYSA-N 1 0 384.307 2.797 20 0 GFADRO O=S(=O)(C1CC1)N1CCC([NH2+]Cc2ccc(Br)cc2F)CC1 ZINC000151276985 551410448 /nfs/dbraw/zinc/41/04/48/551410448.db2.gz LCUGPTKRRMHIQR-UHFFFAOYSA-N 1 0 391.306 2.634 20 0 GFADRO C[C@H](C(=O)Nc1ccccc1Br)N1CCN(c2cc[nH+]cc2)CC1 ZINC000151338881 551411786 /nfs/dbraw/zinc/41/17/86/551411786.db2.gz HMDWEAHWYPVKPE-CQSZACIVSA-N 1 0 389.297 2.993 20 0 GFADRO CCO[C@@H](CC[NH+](C)C)CNC(=O)c1cc(F)c(F)cc1Br ZINC000151411980 551412811 /nfs/dbraw/zinc/41/28/11/551412811.db2.gz LZIGJIUFKFWWOF-JTQLQIEISA-N 1 0 379.245 2.814 20 0 GFADRO O=C(Cc1cc(F)ccc1Br)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000151440863 551413680 /nfs/dbraw/zinc/41/36/80/551413680.db2.gz LGZJEMHQUSHBHL-ZDUSSCGKSA-N 1 0 399.304 2.748 20 0 GFADRO C[NH+](C)CC1CCC(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1 ZINC000151730055 551419875 /nfs/dbraw/zinc/41/98/75/551419875.db2.gz NYOYLNDORSORDD-UHFFFAOYSA-N 1 0 380.432 2.984 20 0 GFADRO O=C(Cc1ccccc1I)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000152041037 551425233 /nfs/dbraw/zinc/42/52/33/551425233.db2.gz ARTAAYYKNQPTBH-AWEZNQCLSA-N 1 0 398.288 2.778 20 0 GFADRO [NH3+][C@@H]1CCC[C@H](C(=O)N2CCN(C(=O)c3c(Cl)cccc3Cl)CC2)C1 ZINC000152586554 551436084 /nfs/dbraw/zinc/43/60/84/551436084.db2.gz IHFQHXSPJHVOPZ-QWHCGFSZSA-N 1 0 384.307 2.795 20 0 GFADRO CC[C@@H](CCO)C[NH2+]Cc1cc(I)c(OC)c(OC)c1 ZINC000152623885 551437007 /nfs/dbraw/zinc/43/70/07/551437007.db2.gz DPDMSPINBLMROB-NSHDSACASA-N 1 0 393.265 2.807 20 0 GFADRO CCNC(=O)N1CC[C@H]([NH2+]Cc2nc(-c3cccc(Br)c3)c[nH]2)C1 ZINC000152759315 551438945 /nfs/dbraw/zinc/43/89/45/551438945.db2.gz BJWHJBIJVMVUCD-AWEZNQCLSA-N 1 0 392.301 2.733 20 0 GFADRO Cc1ccc(S(=O)(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)c(Br)c1 ZINC000152880225 551441971 /nfs/dbraw/zinc/44/19/71/551441971.db2.gz PZKRHLQTZZBJPW-ZFWWWQNUSA-N 1 0 387.343 2.862 20 0 GFADRO C[N@@H+]1CCCC[C@H]1CN1CCN(C[C@H](O)c2ccccc2Br)CC1 ZINC000153197839 551447806 /nfs/dbraw/zinc/44/78/06/551447806.db2.gz GOJTZTAPSLJLGT-LPHOPBHVSA-N 1 0 396.373 2.584 20 0 GFADRO CCOc1cc(Br)c(CC(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)cc1OCC ZINC000153314421 551450107 /nfs/dbraw/zinc/45/01/07/551450107.db2.gz RJTHQJSNVPFKDZ-BETUJISGSA-N 1 0 399.329 2.998 20 0 GFADRO Cc1cc(C(=O)NCCCC[NH+]2CCN(C)CC2)c(C)cc1Br ZINC000153396405 551451661 /nfs/dbraw/zinc/45/16/61/551451661.db2.gz XMXVGJQAKGUXPU-UHFFFAOYSA-N 1 0 382.346 2.823 20 0 GFADRO CC[N@H+](CC(C)C)[C@@H](C)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000153705904 551458937 /nfs/dbraw/zinc/45/89/37/551458937.db2.gz ZXVHYPAAPXOYOE-ZDUSSCGKSA-N 1 0 389.949 2.895 20 0 GFADRO C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+]1CC[C@]2(CCOC2)C1 ZINC000153770398 551459974 /nfs/dbraw/zinc/45/99/74/551459974.db2.gz CWTJXDXMWOLHSC-KDOFPFPSSA-N 1 0 381.314 2.908 20 0 GFADRO COc1ccc([C@H](C)[NH2+]C[C@H](O)COC[C@@H]2CCCO2)cc1Br ZINC000153781199 551460766 /nfs/dbraw/zinc/46/07/66/551460766.db2.gz QGFXWVRRMVYXEX-QEJZJMRPSA-N 1 0 388.302 2.665 20 0 GFADRO CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2cc(C)ccc2Br)C1 ZINC000153956563 551463443 /nfs/dbraw/zinc/46/34/43/551463443.db2.gz SWLUPOPAVOVLOL-CQSZACIVSA-N 1 0 396.329 2.886 20 0 GFADRO C[NH+]1CCN(Cc2cccc(NS(=O)(=O)c3ccc(Cl)cc3)c2)CC1 ZINC000153946177 551463686 /nfs/dbraw/zinc/46/36/86/551463686.db2.gz WSSWKRWFOXFMOZ-UHFFFAOYSA-N 1 0 379.913 2.888 20 0 GFADRO C[N@H+](CC(=O)N1CCCN(Cc2ccc(Cl)cc2)CC1)[C@@H]1CCSC1 ZINC000153999591 551465028 /nfs/dbraw/zinc/46/50/28/551465028.db2.gz KTSNLSFBSDMMNA-GOSISDBHSA-N 1 0 381.973 2.812 20 0 GFADRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)Nc1cncc(Br)c1 ZINC000154148053 551468823 /nfs/dbraw/zinc/46/88/23/551468823.db2.gz IHFPUPMNBZBKQZ-OAHLLOKOSA-N 1 0 397.317 2.553 20 0 GFADRO CS[C@H](CO)[C@@H](C)[NH2+][C@@H](C)CC(=O)Nc1cccc(Br)c1 ZINC000154183795 551469210 /nfs/dbraw/zinc/46/92/10/551469210.db2.gz WJEZSMUAYOXKKX-MISXGVKJSA-N 1 0 375.332 2.868 20 0 GFADRO C[N@H+](CC(=O)N1CCN(Cc2ccc(F)cc2Cl)CC1)[C@H]1CCSC1 ZINC000154325316 551472557 /nfs/dbraw/zinc/47/25/57/551472557.db2.gz LBQWYXSONHOOFM-INIZCTEOSA-N 1 0 385.936 2.561 20 0 GFADRO O=C(C[C@@H]1CCC[NH2+]1)N1CCC(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000154385691 551473615 /nfs/dbraw/zinc/47/36/15/551473615.db2.gz FPZQSJPOYQTOCH-INIZCTEOSA-N 1 0 394.313 2.768 20 0 GFADRO Cc1ccc(Br)c(NC(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c1 ZINC000154581553 551478280 /nfs/dbraw/zinc/47/82/80/551478280.db2.gz WXRYYLKEOCIZBP-BBRMVZONSA-N 1 0 394.313 2.639 20 0 GFADRO C[C@H]1C[NH+](C)C[C@H](C)N1C(=O)C1CCN(C(=O)c2ccc(Cl)s2)CC1 ZINC000155037912 551489854 /nfs/dbraw/zinc/48/98/54/551489854.db2.gz SNJUGAOPDNFPBC-STQMWFEESA-N 1 0 383.945 2.805 20 0 GFADRO O=S(=O)(c1cc(F)ccc1Br)N1CCC([NH+]2CCCC2)CC1 ZINC000155368748 551498667 /nfs/dbraw/zinc/49/86/67/551498667.db2.gz PTHDAEZGSQENDY-UHFFFAOYSA-N 1 0 391.306 2.837 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)c1cncc(I)c1)c1ccccc1 ZINC000155389424 551499050 /nfs/dbraw/zinc/49/90/50/551499050.db2.gz OHMPWSXSKSKUOM-HNNXBMFYSA-N 1 0 395.244 2.719 20 0 GFADRO O=C(Nc1ccc(Cl)c(Br)c1)C(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000155888817 551510223 /nfs/dbraw/zinc/51/02/23/551510223.db2.gz IWRHMHJXQRYXNR-LBPRGKRZSA-N 1 0 398.688 2.514 20 0 GFADRO O=C(Cc1cccc(I)c1)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000156136962 551515517 /nfs/dbraw/zinc/51/55/17/551515517.db2.gz KCUZXMDFAXUEMC-OAHLLOKOSA-N 1 0 398.288 2.967 20 0 GFADRO O[C@H](C[NH2+]C1(c2cccc(Br)c2)CCC1)COC[C@@H]1CCCO1 ZINC000156238879 551518262 /nfs/dbraw/zinc/51/82/62/551518262.db2.gz YJIVOJMIJXJSAG-SJORKVTESA-N 1 0 384.314 2.974 20 0 GFADRO CSC[C@](C)(O)CNC(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000156248649 551518353 /nfs/dbraw/zinc/51/83/53/551518353.db2.gz LXIPYQSGVMYRKS-FUHWJXTLSA-N 1 0 385.961 2.890 20 0 GFADRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)Nc2cc(Br)c(=O)n(C)c2)C1 ZINC000156265234 551518905 /nfs/dbraw/zinc/51/89/05/551518905.db2.gz XAQVSTHLSXWIDA-GFCCVEGCSA-N 1 0 399.333 2.780 20 0 GFADRO C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)NCCC1CC[NH+](C)CC1 ZINC000156407416 551522496 /nfs/dbraw/zinc/52/24/96/551522496.db2.gz KRPCXJWQCBPHRB-GFCCVEGCSA-N 1 0 386.323 2.960 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)c2c(F)cccc2I)C1 ZINC000156589004 551525428 /nfs/dbraw/zinc/52/54/28/551525428.db2.gz AIRXJKWUMGSFTM-VHSXEESVSA-N 1 0 376.213 2.630 20 0 GFADRO CC(=O)N1CC[C@H](C[N@@H+](C)Cc2cc3c(cc2Br)OCCO3)C1 ZINC000156674907 551526686 /nfs/dbraw/zinc/52/66/86/551526686.db2.gz PQKMTWMGRIUSOZ-CYBMUJFWSA-N 1 0 383.286 2.521 20 0 GFADRO COC1(C(=O)Nc2nnc(-c3cccc(Br)c3)s2)CC[NH2+]CC1 ZINC000157082866 551533296 /nfs/dbraw/zinc/53/32/96/551533296.db2.gz DFOJNAXMWPLESJ-UHFFFAOYSA-N 1 0 397.298 2.675 20 0 GFADRO CCS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)c1 ZINC000157225993 551535554 /nfs/dbraw/zinc/53/55/54/551535554.db2.gz VOCNTXJWVKYEDE-GUYCJALGSA-N 1 0 384.929 2.690 20 0 GFADRO COc1ccc(Br)c(CC(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000157463360 551538240 /nfs/dbraw/zinc/53/82/40/551538240.db2.gz TXPBEUWRQOAEEZ-KBPBESRZSA-N 1 0 399.329 2.616 20 0 GFADRO CC(C)C[C@](C)(C[NH3+])NC(=O)[C@H]1CCN(c2ccccc2Br)C1=O ZINC000157510133 551538697 /nfs/dbraw/zinc/53/86/97/551538697.db2.gz KEXKXXDZZRCRJH-FZKQIMNGSA-N 1 0 396.329 2.682 20 0 GFADRO CC1CC[NH+](C[C@H](O)CNc2ccnc3cc(Br)cnc32)CC1 ZINC000157497745 551538751 /nfs/dbraw/zinc/53/87/51/551538751.db2.gz CKQSMBKVZGOEIC-CQSZACIVSA-N 1 0 379.302 2.897 20 0 GFADRO C[C@@H](CNC(=O)C[NH2+]C[C@@H]1CCCO1)Sc1ccc(Br)cc1 ZINC000157560860 551539190 /nfs/dbraw/zinc/53/91/90/551539190.db2.gz DNCLMJFQMMDTBF-JSGCOSHPSA-N 1 0 387.343 2.815 20 0 GFADRO Cc1cc(NC(=O)[C@H](C)N(C)CCNC(=O)C(C)C)ccc1Br ZINC000157640456 551540572 /nfs/dbraw/zinc/54/05/72/551540572.db2.gz PUEHDJRPTIDNHI-ZDUSSCGKSA-N 1 0 384.318 2.789 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)Nc2ccc(F)cc2I)C1 ZINC000415248016 563763409 /nfs/dbraw/zinc/76/34/09/563763409.db2.gz FXHKUKPXGLMVGF-BDAKNGLRSA-N 1 0 377.201 2.631 20 0 GFADRO O=C(NCCC[NH2+]C1CC1)Nc1cc(F)c(F)cc1I ZINC000415242208 563763442 /nfs/dbraw/zinc/76/34/42/563763442.db2.gz TWFUFLBUCCODJZ-UHFFFAOYSA-N 1 0 395.191 2.833 20 0 GFADRO CC[N@H+](CC(C)(C)O)[C@H](C)C(=O)Nc1cccc(I)c1 ZINC000158141914 551547276 /nfs/dbraw/zinc/54/72/76/551547276.db2.gz AEHBAOBZWAMACS-LLVKDONJSA-N 1 0 390.265 2.711 20 0 GFADRO CC1(C)[NH2+]CC[C@@H]1NC(=O)Nc1cc(F)c(F)cc1I ZINC000415242297 563763589 /nfs/dbraw/zinc/76/35/89/563763589.db2.gz ULKLYPGEGIXKLG-NSHDSACASA-N 1 0 395.191 2.831 20 0 GFADRO O=C(C1CC[NH+](CCOc2cc(Cl)cc(Cl)c2)CC1)N1CCOCC1 ZINC000158448254 551552420 /nfs/dbraw/zinc/55/24/20/551552420.db2.gz KAXLGCMDWHOJLI-UHFFFAOYSA-N 1 0 387.307 2.943 20 0 GFADRO C[C@@H](Cc1ccc(Br)cc1)C(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000158692400 551554890 /nfs/dbraw/zinc/55/48/90/551554890.db2.gz DPVLXTNSHIRCEZ-YOEHRIQHSA-N 1 0 383.330 2.591 20 0 GFADRO C[NH+]1CCC(NC(=O)Nc2ccnn2Cc2ccccc2Br)CC1 ZINC000158940806 551558995 /nfs/dbraw/zinc/55/89/95/551558995.db2.gz HLIXWMWYNPQDDJ-UHFFFAOYSA-N 1 0 392.301 2.910 20 0 GFADRO CCc1c(C(=O)N[C@@H](C[NH3+])C2CC2)cnn1-c1ccc(Br)cc1 ZINC000159187510 551562035 /nfs/dbraw/zinc/56/20/35/551562035.db2.gz ZMCMMNKADFZTBR-HNNXBMFYSA-N 1 0 377.286 2.664 20 0 GFADRO Cc1c(Br)cccc1NC(=O)C(=O)NC[C@H]1CC[N@@H+](CC(C)C)C1 ZINC000159289728 551562900 /nfs/dbraw/zinc/56/29/00/551562900.db2.gz ZWTDTNLBIOKSOW-CQSZACIVSA-N 1 0 396.329 2.790 20 0 GFADRO [NH3+][C@@H]1CCC[C@H](NC(=O)c2nn(-c3ccc(F)cc3)cc2Br)C1 ZINC000162282627 551605883 /nfs/dbraw/zinc/60/58/83/551605883.db2.gz SKXOXCRRFMIJLD-NEPJUHHUSA-N 1 0 381.249 2.774 20 0 GFADRO Cc1c(C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)cnn1-c1cccc(Br)c1 ZINC000162300184 551606551 /nfs/dbraw/zinc/60/65/51/551606551.db2.gz BIYUNXNJSNTTQN-ZIAGYGMSSA-N 1 0 377.286 2.943 20 0 GFADRO O=C(c1ccc(C[NH+]2CCSCC2)cc1)N1CCS[C@@H]2COCC[C@H]21 ZINC000162429568 551608643 /nfs/dbraw/zinc/60/86/43/551608643.db2.gz PLAGOVKTHHHSNO-QZTJIDSGSA-N 1 0 378.563 2.582 20 0 GFADRO C[C@H]([NH2+]C[C@H](O)COc1ccc(Cl)cc1Br)[C@@H]1CCOC1 ZINC000162657012 551611036 /nfs/dbraw/zinc/61/10/36/551611036.db2.gz JLGGESJMQZAAHC-LOWVWBTDSA-N 1 0 378.694 2.857 20 0 GFADRO C[NH+](C)CCN(C(=O)C(=O)Nc1ccc(Br)cc1)C1CCCC1 ZINC000162854887 551613689 /nfs/dbraw/zinc/61/36/89/551613689.db2.gz FDSMFHUNOXTIJM-UHFFFAOYSA-N 1 0 382.302 2.720 20 0 GFADRO CC[S@](=O)[C@H]1CCC[C@H]([NH2+][C@@H](C)c2ccc(S(C)(=O)=O)c(OC)c2)C1 ZINC000162907934 551614113 /nfs/dbraw/zinc/61/41/13/551614113.db2.gz CUNPGZUGKJIKSJ-NUHYACRBSA-N 1 0 387.567 2.829 20 0 GFADRO CC(C)N(C)C(=O)C[NH+]1CCC(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000163151510 551616857 /nfs/dbraw/zinc/61/68/57/551616857.db2.gz RTEUABIBPXWDJY-UHFFFAOYSA-N 1 0 396.329 2.966 20 0 GFADRO O=C(Nc1ccc(F)cc1I)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000415246188 563763736 /nfs/dbraw/zinc/76/37/36/563763736.db2.gz BTEOIHFWQYQMFK-NSHDSACASA-N 1 0 389.212 2.789 20 0 GFADRO CC[N@@H+]1CCCN(C(=O)C(=O)Nc2c(C)cc(Br)cc2C)CC1 ZINC000163254562 551618475 /nfs/dbraw/zinc/61/84/75/551618475.db2.gz ZNMZJKOPGRENAO-UHFFFAOYSA-N 1 0 382.302 2.559 20 0 GFADRO C[C@H]1C[C@@H]([NH2+]CCN2CCN(c3ncccn3)CC2)c2ccsc2S1 ZINC000164255023 551624423 /nfs/dbraw/zinc/62/44/23/551624423.db2.gz OYNYBQBTOSDOCW-GOEBONIOSA-N 1 0 375.567 2.875 20 0 GFADRO CC(C)[C@H]([NH2+][C@@H]1CCc2cc(Br)ccc21)C(=O)N1CCOCC1 ZINC000164858496 551627778 /nfs/dbraw/zinc/62/77/78/551627778.db2.gz BYFCNOAINBULPL-SJORKVTESA-N 1 0 381.314 2.909 20 0 GFADRO CC(C)[C@@H]([NH2+][C@@H]1CCc2cc(Br)ccc21)C(=O)N1CCOCC1 ZINC000164858604 551627836 /nfs/dbraw/zinc/62/78/36/551627836.db2.gz BYFCNOAINBULPL-IAGOWNOFSA-N 1 0 381.314 2.909 20 0 GFADRO C[C@H]1C[N@@H+](C2CCN(C(=O)Nc3ccc(Br)nc3)CC2)CCO1 ZINC000166443910 551631870 /nfs/dbraw/zinc/63/18/70/551631870.db2.gz ZKYODAJKIFKNOQ-LBPRGKRZSA-N 1 0 383.290 2.561 20 0 GFADRO CN(CC[NH2+]Cc1ccc(OC(F)F)c(F)c1)S(=O)(=O)c1cccs1 ZINC000168826085 551634754 /nfs/dbraw/zinc/63/47/54/551634754.db2.gz IMAHLHHDISUCST-UHFFFAOYSA-N 1 0 394.440 2.899 20 0 GFADRO C[C@@H](C(=O)Nc1ccc(Br)cc1)[N@@H+]1CCC[C@H](CCC(N)=O)C1 ZINC000170737664 551638549 /nfs/dbraw/zinc/63/85/49/551638549.db2.gz AWDTXBGKNTXHNM-QWHCGFSZSA-N 1 0 382.302 2.754 20 0 GFADRO O=C(NCCC[NH+]1CCCCC1)Nc1cccc(S(=O)(=O)C(F)F)c1 ZINC000171273363 551652231 /nfs/dbraw/zinc/65/22/31/551652231.db2.gz WQOKNNSWJOXVMZ-UHFFFAOYSA-N 1 0 375.441 2.680 20 0 GFADRO C[C@@H](CN1CCCC1=O)[NH2+]Cc1nc(-c2cccc(Br)c2)c[nH]1 ZINC000171785478 551664098 /nfs/dbraw/zinc/66/40/98/551664098.db2.gz NQOJDICJETZHLD-LBPRGKRZSA-N 1 0 377.286 2.940 20 0 GFADRO O=S(=O)(C[C@H]1CCOC1)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000171965966 551668036 /nfs/dbraw/zinc/66/80/36/551668036.db2.gz GRROKBPPPNWWET-INIZCTEOSA-N 1 0 386.945 2.508 20 0 GFADRO C[C@H](Cc1cccc(Br)c1)NC(=O)NCC1([NH+](C)C)CCOCC1 ZINC000172224560 551673648 /nfs/dbraw/zinc/67/36/48/551673648.db2.gz CHSKJSFZCVUCLS-CQSZACIVSA-N 1 0 398.345 2.790 20 0 GFADRO COc1cc(Br)ccc1C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000172459437 551679572 /nfs/dbraw/zinc/67/95/72/551679572.db2.gz XZYIQXXKATVPEB-UHFFFAOYSA-N 1 0 397.313 2.642 20 0 GFADRO Cc1cc(S(=O)(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)c(C)cc1Br ZINC000173024350 551692638 /nfs/dbraw/zinc/69/26/38/551692638.db2.gz XLMVVAGKFDYLQL-ZDUSSCGKSA-N 1 0 387.343 2.829 20 0 GFADRO CNC(=O)[C@@H]1CCC[N@H+](C[C@@](C)(O)c2ccc(Br)cc2Cl)C1 ZINC000292964606 563797158 /nfs/dbraw/zinc/79/71/58/563797158.db2.gz CZXSOGOCEKTJER-BDJLRTHQSA-N 1 0 389.721 2.768 20 0 GFADRO CCC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2ccc(F)c(Br)c2)C1 ZINC000173204910 552079481 /nfs/dbraw/zinc/07/94/81/552079481.db2.gz VPVWJNPZPKRSIV-LBPRGKRZSA-N 1 0 393.322 2.941 20 0 GFADRO CC[NH+](CC)[C@H]1CCN(S(=O)(=O)c2ccc(F)c(Br)c2)C1 ZINC000173204958 552079651 /nfs/dbraw/zinc/07/96/51/552079651.db2.gz JNCIUOXWKRNWGG-NSHDSACASA-N 1 0 379.295 2.693 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2ccccc2OC(F)(F)F)[C@H](C)C1 ZINC000173255549 552081159 /nfs/dbraw/zinc/08/11/59/552081159.db2.gz LQROXMDOHVLUGR-OLZOCXBDSA-N 1 0 380.432 2.936 20 0 GFADRO C[C@H]([NH2+]C[C@@H](O)c1ccc(Cl)cc1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000173304093 552082219 /nfs/dbraw/zinc/08/22/19/552082219.db2.gz IEDXRRSKLKIOOM-SCLBCKFNSA-N 1 0 382.913 2.975 20 0 GFADRO C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)C(=O)Nc1ccc(F)c(Br)c1)C2 ZINC000173452240 552085411 /nfs/dbraw/zinc/08/54/11/552085411.db2.gz CHHVSTRLXLTTFE-YHWZYXNKSA-N 1 0 398.276 2.658 20 0 GFADRO CCN(C)S(=O)(=O)N(CCC[NH+](C)C)Cc1ccc(Cl)c(Cl)c1 ZINC000173498062 552086552 /nfs/dbraw/zinc/08/65/52/552086552.db2.gz IUECUFOPJMPQGN-UHFFFAOYSA-N 1 0 382.357 2.944 20 0 GFADRO COCCC[N@H+](C)CCNC(=O)N(C)Cc1ccc(Br)s1 ZINC000173575273 552088545 /nfs/dbraw/zinc/08/85/45/552088545.db2.gz AGKYCYRYLMCKHK-UHFFFAOYSA-N 1 0 378.336 2.620 20 0 GFADRO CC[NH+](CC)C[C@@H]1CCN(C(=O)C(=O)Nc2cccc(Br)c2)C1 ZINC000173607496 552088954 /nfs/dbraw/zinc/08/89/54/552088954.db2.gz HFTSSKNDGNTUGH-ZDUSSCGKSA-N 1 0 382.302 2.578 20 0 GFADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccc(Cl)c(NS(C)(=O)=O)c2)C1 ZINC000173804233 552091965 /nfs/dbraw/zinc/09/19/65/552091965.db2.gz SJIVZPBDVZBTJG-ZDUSSCGKSA-N 1 0 387.933 2.515 20 0 GFADRO CC[NH+](CC)[C@@H]1CCN(C(=O)CSc2nnc(-c3cccs3)n2C)C1 ZINC000174178439 552101136 /nfs/dbraw/zinc/10/11/36/552101136.db2.gz IQBAQXDCPSHPHU-CYBMUJFWSA-N 1 0 379.555 2.578 20 0 GFADRO C[NH+]1CCC(C(=O)NC[C@@H]2CCN(c3ccc(Br)cc3)C2)CC1 ZINC000174170190 552101227 /nfs/dbraw/zinc/10/12/27/552101227.db2.gz YJEDNRIPXNCXIQ-AWEZNQCLSA-N 1 0 380.330 2.733 20 0 GFADRO O=C([C@@H]1C[C@@H]1c1cccc(Br)c1)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000174197959 552101699 /nfs/dbraw/zinc/10/16/99/552101699.db2.gz SHZZDJYWTDLTQY-ZTFGCOKTSA-N 1 0 393.325 2.733 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC000174437117 552103917 /nfs/dbraw/zinc/10/39/17/552103917.db2.gz JPKMTMHDVHKERH-UHFFFAOYSA-N 1 0 396.329 2.933 20 0 GFADRO COc1ccc(Br)cc1CNC(=O)N1CC[C@@H]2CC[C@H](C1)[N@@H+]2C ZINC000174458021 552104438 /nfs/dbraw/zinc/10/44/38/552104438.db2.gz LVZYRBJPDVUWMX-LSDHHAIUSA-N 1 0 382.302 2.836 20 0 GFADRO Cc1cc(Cl)cc(NC(=O)C(=O)N[C@H]2CCCC[NH2+]C2)c1Br ZINC000415867672 563799703 /nfs/dbraw/zinc/79/97/03/563799703.db2.gz LCDKJGCDAGUGRZ-NSHDSACASA-N 1 0 388.693 2.608 20 0 GFADRO C[NH+](C)[C@H]1CCC[C@@H](NS(=O)(=O)c2ccc(F)cc2Br)C1 ZINC000175085351 552115161 /nfs/dbraw/zinc/11/51/61/552115161.db2.gz DEOWOILWCJZOAD-NEPJUHHUSA-N 1 0 379.295 2.739 20 0 GFADRO COCCC[N@H+](C)CCNC(=O)N[C@@H](C)Cc1ccc(Br)cc1 ZINC000175703605 552127199 /nfs/dbraw/zinc/12/71/99/552127199.db2.gz FWTJYZFDSNLIAJ-AWEZNQCLSA-N 1 0 386.334 2.648 20 0 GFADRO Cc1cc(CCC(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)ccc1Br ZINC000176390907 552140113 /nfs/dbraw/zinc/14/01/13/552140113.db2.gz NZTYQSUEIMWZFP-KRWDZBQOSA-N 1 0 395.341 2.871 20 0 GFADRO Cc1ccc(NC(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)c(Br)c1 ZINC000176787515 552145630 /nfs/dbraw/zinc/14/56/30/552145630.db2.gz RKUHBVWXVSMLGD-AWEZNQCLSA-N 1 0 382.302 2.944 20 0 GFADRO CN1CCN(S(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)c2c[nH+]ccc21 ZINC000176978618 552148414 /nfs/dbraw/zinc/14/84/14/552148414.db2.gz AKUALIHZVHSGHZ-UHFFFAOYSA-N 1 0 389.811 2.982 20 0 GFADRO C[C@@H]1C[C@H](N(C)C(=O)c2cc(=O)[nH]c3c(Br)cccc23)CC[N@@H+]1C ZINC000177012275 552149337 /nfs/dbraw/zinc/14/93/37/552149337.db2.gz AEIXAHXZDSCPCW-VXGBXAGGSA-N 1 0 392.297 2.845 20 0 GFADRO C[NH+](C)C1CCN(CCNC(=O)[C@H]2C[C@H]2c2cccc(Br)c2)CC1 ZINC000177151309 552150744 /nfs/dbraw/zinc/15/07/44/552150744.db2.gz MJYQADTXYUPMDR-ROUUACIJSA-N 1 0 394.357 2.695 20 0 GFADRO CC[N@H+](C)C[C@H]1CCN(C(=O)NCCOc2ccc(Br)cc2)C1 ZINC000177866139 552160457 /nfs/dbraw/zinc/16/04/57/552160457.db2.gz WXMOPQOLCAJBEP-CQSZACIVSA-N 1 0 384.318 2.811 20 0 GFADRO CC[N@@H+]1CCCC[C@H]1CNC(=O)N[C@@H](CO)c1cccc(Br)c1 ZINC000178112470 552164063 /nfs/dbraw/zinc/16/40/63/552164063.db2.gz CTGLEUCMVCOOQR-HOTGVXAUSA-N 1 0 384.318 2.656 20 0 GFADRO C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@@H](C)CN1CCCC1=O ZINC000178489820 552171431 /nfs/dbraw/zinc/17/14/31/552171431.db2.gz AKIVFPFUZUQPNC-STQMWFEESA-N 1 0 382.302 2.767 20 0 GFADRO Cc1c(C(=O)N2CCC([C@H](C)[NH3+])CC2)nnn1-c1cccc(Br)c1 ZINC000178813939 552176031 /nfs/dbraw/zinc/17/60/31/552176031.db2.gz FYXOPVCWPHSIIY-NSHDSACASA-N 1 0 392.301 2.538 20 0 GFADRO CCCN(C(=O)c1ccn(-c2cccc(Br)c2)n1)[C@H]1CC[NH2+]C1 ZINC000178935694 552179758 /nfs/dbraw/zinc/17/97/58/552179758.db2.gz RJHMGENRXDVBIU-HNNXBMFYSA-N 1 0 377.286 2.849 20 0 GFADRO C[NH2+]C[C@H]1CCN(C(=O)CCc2nc(-c3cc(Br)cs3)no2)C1 ZINC000178966070 552180646 /nfs/dbraw/zinc/18/06/46/552180646.db2.gz HDBDZQSBKGJVNO-SNVBAGLBSA-N 1 0 399.314 2.561 20 0 GFADRO Cc1nn(Cc2cccc(Br)c2)c(C)c1C(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000179084106 552183904 /nfs/dbraw/zinc/18/39/04/552183904.db2.gz GYPPTPVHZOVFLN-INIZCTEOSA-N 1 0 391.313 2.745 20 0 GFADRO COCc1cccc(C[NH+]2CCC(NS(=O)(=O)c3cccs3)CC2)c1 ZINC000179186827 552186819 /nfs/dbraw/zinc/18/68/19/552186819.db2.gz PMZGUQFUBZFIAD-UHFFFAOYSA-N 1 0 380.535 2.837 20 0 GFADRO CCC[N@H+](CC)CCNC(=O)C(=O)Nc1cc(F)c(Br)c(F)c1 ZINC000180102628 552213297 /nfs/dbraw/zinc/21/32/97/552213297.db2.gz LUMXPPOYIQWUEU-UHFFFAOYSA-N 1 0 392.244 2.514 20 0 GFADRO CC[C@@H](CO)[NH+]1CCN(C(=O)Nc2ccc(Cl)c(OC(F)F)c2)CC1 ZINC000180132187 552214522 /nfs/dbraw/zinc/21/45/22/552214522.db2.gz OABUWQLUVUABHK-LBPRGKRZSA-N 1 0 377.819 2.862 20 0 GFADRO CC(C)[C@H]([NH2+][C@H]1CCc2c1cccc2Br)C(=O)N1CCOCC1 ZINC000180146844 552214864 /nfs/dbraw/zinc/21/48/64/552214864.db2.gz OTPXJFKHVXZPSL-IRXDYDNUSA-N 1 0 381.314 2.909 20 0 GFADRO Cc1ccc(F)cc1C[NH+]1CCC(N(CC(F)(F)F)S(C)(=O)=O)CC1 ZINC000180154068 552215072 /nfs/dbraw/zinc/21/50/72/552215072.db2.gz BTDWLJXTXDPZJO-UHFFFAOYSA-N 1 0 382.423 2.922 20 0 GFADRO CC(C)(COc1ncccc1Br)[NH2+]CC(=O)N1CCCCCC1 ZINC000180396204 552225247 /nfs/dbraw/zinc/22/52/47/552225247.db2.gz FKTUSDPFUOQFIG-UHFFFAOYSA-N 1 0 384.318 2.994 20 0 GFADRO CC(C)COC[C@@H](O)C[NH2+][C@H](C)c1cc2c(cc1Br)OCCO2 ZINC000180460671 552226821 /nfs/dbraw/zinc/22/68/21/552226821.db2.gz CUHPRCZILRUBEF-OLZOCXBDSA-N 1 0 388.302 2.904 20 0 GFADRO CC(C)NS(=O)(=O)CC[NH2+][C@H]1CCSc2ccc(Br)cc21 ZINC000180476488 552227472 /nfs/dbraw/zinc/22/74/72/552227472.db2.gz NKLWDJSUCBVLLQ-ZDUSSCGKSA-N 1 0 393.372 2.903 20 0 GFADRO O=C(NCc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1coc(Br)c1 ZINC000180478695 552227255 /nfs/dbraw/zinc/22/72/55/552227255.db2.gz LBDGZZXHIKZISZ-MRXNPFEDSA-N 1 0 393.281 2.929 20 0 GFADRO C[C@H](Cn1cc(Br)cn1)[NH2+]CCc1nc2c(cccc2F)n1C ZINC000180862193 552238331 /nfs/dbraw/zinc/23/83/31/552238331.db2.gz HWRMPWFJVFKDHQ-LLVKDONJSA-N 1 0 380.265 2.892 20 0 GFADRO C[C@@]1(C(=O)N2CCN(C(=O)c3cc(Cl)cc(Cl)c3)CC2)CCCC[NH2+]1 ZINC000180912720 552239993 /nfs/dbraw/zinc/23/99/93/552239993.db2.gz KMHAYPHTUKFGTN-SFHVURJKSA-N 1 0 384.307 2.810 20 0 GFADRO CC[C@H]1CN(C(=O)Nc2cc(F)ccc2Br)CC[N@@H+]1C[C@@H](C)O ZINC000181234133 552250656 /nfs/dbraw/zinc/25/06/56/552250656.db2.gz QOLJXSWBGLCVKO-YPMHNXCESA-N 1 0 388.281 2.897 20 0 GFADRO C[C@@H]([NH2+]C1CCN(S(=O)(=O)C2CC2)CC1)c1ncc(Br)s1 ZINC000181272431 552251661 /nfs/dbraw/zinc/25/16/61/552251661.db2.gz GZYXBEHYZJTFMU-SECBINFHSA-N 1 0 394.360 2.513 20 0 GFADRO COCc1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1cc(Br)ccc1F)CC2 ZINC000181296223 552252294 /nfs/dbraw/zinc/25/22/94/552252294.db2.gz LWRNQNVGXNPBEC-PWSUYJOCSA-N 1 0 383.265 2.992 20 0 GFADRO COCc1nc2n(n1)C[C@H]([NH2+][C@H]1CCc3c1c(Br)ccc3F)CC2 ZINC000181297765 552252991 /nfs/dbraw/zinc/25/29/91/552252991.db2.gz OFSSVUGBBUWKPT-YGRLFVJLSA-N 1 0 395.276 2.918 20 0 GFADRO C[C@@H]([NH2+]CCNc1cccc(Br)c1)c1ccc(S(N)(=O)=O)cc1 ZINC000181356581 552254214 /nfs/dbraw/zinc/25/42/14/552254214.db2.gz DFVAJMWQOBJVQJ-GFCCVEGCSA-N 1 0 398.326 2.859 20 0 GFADRO COc1ccc(CC[C@H](C)[NH2+]CCN(C)S(=O)(=O)c2cccs2)cc1 ZINC000181501543 552258296 /nfs/dbraw/zinc/25/82/96/552258296.db2.gz PZYHSSCRQJULPH-HNNXBMFYSA-N 1 0 382.551 2.988 20 0 GFADRO C[C@H]1CCc2c(F)cccc2[C@H]1[NH2+]C[C@H](O)CS(=O)(=O)c1cccs1 ZINC000181634776 552263057 /nfs/dbraw/zinc/26/30/57/552263057.db2.gz GPQRXXZPYIIGAO-LXIYXOSZSA-N 1 0 383.510 2.935 20 0 GFADRO CC[C@@H]([NH2+]C[C@@H](O)CS(=O)(=O)c1cccs1)c1ccc(F)cc1F ZINC000181641336 552263718 /nfs/dbraw/zinc/26/37/18/552263718.db2.gz FZSNWOAGNCNYSJ-IUODEOHRSA-N 1 0 375.462 2.902 20 0 GFADRO CC[C@@H]([NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1)c1cccc(Br)c1 ZINC000181683211 552265236 /nfs/dbraw/zinc/26/52/36/552265236.db2.gz LJFIRYPKXPYGAP-SWLSCSKDSA-N 1 0 375.332 2.771 20 0 GFADRO CSc1ccc(NC(=O)CN[C@@H](CS(C)(=O)=O)c2ccccc2)cc1 ZINC000181794981 552267652 /nfs/dbraw/zinc/26/76/52/552267652.db2.gz ALLDMLVUTKOSQU-KRWDZBQOSA-N 1 0 378.519 2.723 20 0 GFADRO COC(=O)CC[N@@H+]1CCN(CCOc2cc(Cl)ccc2Cl)[C@H](C)C1 ZINC000182106886 552275559 /nfs/dbraw/zinc/27/55/59/552275559.db2.gz CBRGAOJVNKNMEX-CYBMUJFWSA-N 1 0 375.296 2.941 20 0 GFADRO O[C@@H](CCc1ccccc1)C[NH+]1CCN(c2ccc(Br)cn2)CC1 ZINC000182208906 552278316 /nfs/dbraw/zinc/27/83/16/552278316.db2.gz OYOQUZMTKAUQRD-SFHVURJKSA-N 1 0 390.325 2.960 20 0 GFADRO CNC(=O)[C@@H]1CCC[N@H+](Cc2cc3c(cc2Br)OCCCO3)C1 ZINC000182267427 552279503 /nfs/dbraw/zinc/27/95/03/552279503.db2.gz WQAOYPPDELMOHL-GFCCVEGCSA-N 1 0 383.286 2.568 20 0 GFADRO CCOC(=O)COc1c(Br)cc(C)cc1C[NH2+][C@H]1CCCOC1 ZINC000182276892 552279958 /nfs/dbraw/zinc/27/99/58/552279958.db2.gz COYILWWKKBCKRG-AWEZNQCLSA-N 1 0 386.286 2.968 20 0 GFADRO CCOC(=O)COc1c(Br)cc(C)cc1C[NH2+]CCN1CCCC1 ZINC000182280773 552280029 /nfs/dbraw/zinc/28/00/29/552280029.db2.gz SOEQJZNLBOKTEG-UHFFFAOYSA-N 1 0 399.329 2.885 20 0 GFADRO C[C@@H]([NH2+]C1CCN(S(=O)(=O)C(F)(F)F)CC1)c1nc2ccccc2o1 ZINC000182457121 552284776 /nfs/dbraw/zinc/28/47/76/552284776.db2.gz DOQQXADHCPDIAF-SNVBAGLBSA-N 1 0 377.388 2.792 20 0 GFADRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(I)cc1)[C@H]1CCCO1 ZINC000183096647 552300364 /nfs/dbraw/zinc/30/03/64/552300364.db2.gz AWIOOYVSNJTYAI-UHIISALHSA-N 1 0 388.249 2.775 20 0 GFADRO C[NH+](C)CCOc1cc(C(=O)NCc2ccc(F)cc2Br)ccn1 ZINC000183120225 552301102 /nfs/dbraw/zinc/30/11/02/552301102.db2.gz PRTRHLFJLJUEFQ-UHFFFAOYSA-N 1 0 396.260 2.854 20 0 GFADRO CNc1nnc(CC(=O)NC[C@@H](c2cccs2)[NH+]2CCC(C)CC2)s1 ZINC000183472983 552310718 /nfs/dbraw/zinc/31/07/18/552310718.db2.gz XAZNWFZKVRNZJM-ZDUSSCGKSA-N 1 0 379.555 2.773 20 0 GFADRO OC[C@H]([NH2+]C[C@H](O)COCc1cccs1)c1cccc(Br)c1 ZINC000183910806 552322555 /nfs/dbraw/zinc/32/25/55/552322555.db2.gz YKWODXKTGMBFQD-HOCLYGCPSA-N 1 0 386.311 2.711 20 0 GFADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)c1cc2cc(Br)ccc2[nH]1 ZINC000184078365 552326841 /nfs/dbraw/zinc/32/68/41/552326841.db2.gz JYBBBGQMDJPGSK-ZDUSSCGKSA-N 1 0 393.329 2.686 20 0 GFADRO CN1CC[NH+](CCC(C)(C)NC(=O)COc2cc(Cl)ccc2Cl)CC1 ZINC000184221310 552329894 /nfs/dbraw/zinc/32/98/94/552329894.db2.gz AFUXLUQJGBLXFA-UHFFFAOYSA-N 1 0 388.339 2.905 20 0 GFADRO C[C@@H](Oc1cc(Cl)cc(Cl)c1)C(=O)N[C@@H](C)CC[NH+]1CCN(C)CC1 ZINC000184363035 552333510 /nfs/dbraw/zinc/33/35/10/552333510.db2.gz AVXABRVPMRVGSC-UONOGXRCSA-N 1 0 388.339 2.903 20 0 GFADRO Cc1ccc(Br)c(NC(=O)N[C@H](C)CC[NH+]2CCN(C)CC2)c1 ZINC000184576829 552339021 /nfs/dbraw/zinc/33/90/21/552339021.db2.gz OKBZYJQAZVOSGN-CQSZACIVSA-N 1 0 383.334 2.905 20 0 GFADRO NC(=O)[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1ccc(Br)cc1Cl ZINC000184803395 552344804 /nfs/dbraw/zinc/34/48/04/552344804.db2.gz WMOVBAADCUFTSD-ZYHUDNBSSA-N 1 0 388.693 2.675 20 0 GFADRO CC[NH+]1CCN(Cc2cc(Br)cc(Br)c2N)CC1 ZINC000185718909 552369602 /nfs/dbraw/zinc/36/96/02/552369602.db2.gz UWQYFUUOSCPSLF-UHFFFAOYSA-N 1 0 377.124 2.931 20 0 GFADRO CC[NH+](CC)[C@H]1CCN(S(=O)(=O)c2cc(Br)cc(OC)c2)C1 ZINC000185862727 552372670 /nfs/dbraw/zinc/37/26/70/552372670.db2.gz APVUOJDLAUVVQK-ZDUSSCGKSA-N 1 0 391.331 2.563 20 0 GFADRO C[NH+](C)CC1(CNC(=O)c2ccc(Cl)c(NS(C)(=O)=O)c2)CCCC1 ZINC000185908673 552374091 /nfs/dbraw/zinc/37/40/91/552374091.db2.gz WNRFNKKJBZFSQX-UHFFFAOYSA-N 1 0 387.933 2.563 20 0 GFADRO O[C@@H](COc1c(Cl)cccc1Cl)C[NH+]1CCC(Cn2cncn2)CC1 ZINC000186251294 552382916 /nfs/dbraw/zinc/38/29/16/552382916.db2.gz JNRZJZLZPDDDET-CQSZACIVSA-N 1 0 385.295 2.737 20 0 GFADRO C[C@H](C[NH+]1CCCCCC1)NC(=O)C(=O)Nc1ccc(Br)cc1 ZINC000186649583 552393492 /nfs/dbraw/zinc/39/34/92/552393492.db2.gz HYEKIUGEYSSFEQ-CYBMUJFWSA-N 1 0 382.302 2.768 20 0 GFADRO CS(=O)(=O)[C@H]1CCCC[C@@H]1[NH2+]CCc1ccc(OCC(F)(F)F)nc1 ZINC000186745874 552396510 /nfs/dbraw/zinc/39/65/10/552396510.db2.gz SJIOKFJESCKZDM-KBPBESRZSA-N 1 0 380.432 2.511 20 0 GFADRO C[NH+](C)C1CCN(C(=O)Nc2cc(Br)cnc2-n2cccn2)CC1 ZINC000186768468 552397342 /nfs/dbraw/zinc/39/73/42/552397342.db2.gz YIODGGHPPHLICB-UHFFFAOYSA-N 1 0 393.289 2.588 20 0 GFADRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl ZINC000186797675 552398343 /nfs/dbraw/zinc/39/83/43/552398343.db2.gz IKEBGQJWSRWLRA-LYRGGWFBSA-N 1 0 384.307 2.712 20 0 GFADRO CS(=O)(=O)CCCCC[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000186851829 552399633 /nfs/dbraw/zinc/39/96/33/552399633.db2.gz SVAZKFKYHSSXGF-UHFFFAOYSA-N 1 0 386.945 2.749 20 0 GFADRO C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[NH+]1CCC(C)(CO)CC1 ZINC000186935338 552401899 /nfs/dbraw/zinc/40/18/99/552401899.db2.gz JGHLRSKODYKRJT-CQSZACIVSA-N 1 0 383.330 2.890 20 0 GFADRO COc1cc(Br)ccc1CNC(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000187055937 552405584 /nfs/dbraw/zinc/40/55/84/552405584.db2.gz KVNYTZPRERKOBI-ZDUSSCGKSA-N 1 0 384.318 2.989 20 0 GFADRO CCCNC(=O)CN1CCC([NH2+]Cc2cccc(Br)c2OC)CC1 ZINC000187120809 552406988 /nfs/dbraw/zinc/40/69/88/552406988.db2.gz LUBGGLKOMWOYBZ-UHFFFAOYSA-N 1 0 398.345 2.538 20 0 GFADRO COc1c(Br)cccc1C[NH2+]C1CCC(S(C)(=O)=O)CC1 ZINC000187263917 552410970 /nfs/dbraw/zinc/41/09/70/552410970.db2.gz KVWCZQCNLUHBKN-UHFFFAOYSA-N 1 0 376.316 2.903 20 0 GFADRO CCO[C@@H]1C[C@@]([NH3+])(C(=O)NCCc2ccc(Br)s2)C1(C)C ZINC000187296112 552411621 /nfs/dbraw/zinc/41/16/21/552411621.db2.gz MFEWFZCWEZSFSP-IAQYHMDHSA-N 1 0 375.332 2.702 20 0 GFADRO O=C(N[C@H](c1ccccc1)c1ccc(Br)cc1)[C@H]1C[NH2+]CCO1 ZINC000187512729 552417879 /nfs/dbraw/zinc/41/78/79/552417879.db2.gz ZWIKMMZCLFGKJK-IAGOWNOFSA-N 1 0 375.266 2.643 20 0 GFADRO CC[C@H](CCc1ccc(Br)cc1)[NH2+]CC1CN(S(C)(=O)=O)C1 ZINC000187839509 552426014 /nfs/dbraw/zinc/42/60/14/552426014.db2.gz FLKDDRIYTQRQQQ-MRXNPFEDSA-N 1 0 389.359 2.641 20 0 GFADRO COc1cc(Br)ccc1CNC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000187849725 552426419 /nfs/dbraw/zinc/42/64/19/552426419.db2.gz YCFNGFIQYIGVBX-OAHLLOKOSA-N 1 0 380.286 2.613 20 0 GFADRO C[C@H]1C[C@@H](N(C)C(=O)c2cc(I)ccc2O)CC[N@@H+]1C ZINC000188042325 552432290 /nfs/dbraw/zinc/43/22/90/552432290.db2.gz KTUZVQUXJZGKMM-JQWIXIFHSA-N 1 0 388.249 2.552 20 0 GFADRO Cc1cc(Br)cc(NC(=O)C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000188106764 552435240 /nfs/dbraw/zinc/43/52/40/552435240.db2.gz ZRSSUMBLXNQMAR-AWEZNQCLSA-N 1 0 394.313 2.640 20 0 GFADRO C[C@@H](Cc1ccc(Br)cc1)[NH2+]CCc1ccc(S(N)(=O)=O)cc1 ZINC000188112661 552435787 /nfs/dbraw/zinc/43/57/87/552435787.db2.gz RKSIGYZMWMKUMZ-ZDUSSCGKSA-N 1 0 397.338 2.860 20 0 GFADRO O=C(Cc1ccc(F)cc1Br)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000188168319 552437453 /nfs/dbraw/zinc/43/74/53/552437453.db2.gz ZXIMOEJKKKHQAO-CYBMUJFWSA-N 1 0 399.304 2.748 20 0 GFADRO Cc1cc(N2CC[C@@H]([NH2+][C@H](C)Cc3ccc(Br)cc3)C2=O)n(C)n1 ZINC000188298797 552441765 /nfs/dbraw/zinc/44/17/65/552441765.db2.gz DJECJVCXVXJBKS-MLGOLLRUSA-N 1 0 391.313 2.817 20 0 GFADRO COCc1nc2n(n1)C[C@H]([NH2+][C@H](C)Cc1ccc(Br)cc1)CC2 ZINC000188306231 552441874 /nfs/dbraw/zinc/44/18/74/552441874.db2.gz NMQLZDYAWPYGRP-IUODEOHRSA-N 1 0 379.302 2.723 20 0 GFADRO C[C@H]([NH2+]CCN1C(=O)CNC1=O)c1ccc(Br)cc1C(F)(F)F ZINC000188407001 552444615 /nfs/dbraw/zinc/44/46/15/552444615.db2.gz OMRULEBXZPPHGF-QMMMGPOBSA-N 1 0 394.191 2.670 20 0 GFADRO C[C@@H]1CN(C(=O)[C@H]2CCCN(C(=O)c3ccc(Cl)c(Cl)c3)C2)CC[NH2+]1 ZINC000188448393 552445667 /nfs/dbraw/zinc/44/56/67/552445667.db2.gz WNFWYKBGGUYWHT-OCCSQVGLSA-N 1 0 384.307 2.666 20 0 GFADRO O[C@H]1CCC[C@@H](C[NH2+]Cc2ccc(Br)cc2N2CCOCC2)C1 ZINC000188744108 552453999 /nfs/dbraw/zinc/45/39/99/552453999.db2.gz AUNJEECSHIEYDC-PBHICJAKSA-N 1 0 383.330 2.926 20 0 GFADRO O=C(NCC1CC[NH+](CCO)CC1)Nc1cc(Br)c(F)cc1F ZINC000189153464 552464496 /nfs/dbraw/zinc/46/44/96/552464496.db2.gz KIDTZLOEFWXWCC-UHFFFAOYSA-N 1 0 392.244 2.553 20 0 GFADRO Cc1cc(S(=O)(=O)NCc2ccc3c(c2)C[NH2+]C3)ccc1Br ZINC000189210079 552465724 /nfs/dbraw/zinc/46/57/24/552465724.db2.gz RIOMXRWRDZDGLS-UHFFFAOYSA-N 1 0 381.295 2.839 20 0 GFADRO O=C(Nc1ccccc1Br)C(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000189381717 552470369 /nfs/dbraw/zinc/47/03/69/552470369.db2.gz AIGATWSEBKXMPD-AWEZNQCLSA-N 1 0 394.313 2.865 20 0 GFADRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1CCC(=O)Nc1cccc(Br)c1 ZINC000189469168 552472760 /nfs/dbraw/zinc/47/27/60/552472760.db2.gz LQBZIDQKAPQLND-CQSZACIVSA-N 1 0 398.345 2.555 20 0 GFADRO CS(=O)(=O)c1cc(NC(=O)N2CCC(n3ccnc3)CC2)ccc1Cl ZINC000189879350 552481800 /nfs/dbraw/zinc/48/18/00/552481800.db2.gz KFNOHAKHTRNXNU-UHFFFAOYSA-N 1 0 382.873 2.809 20 0 GFADRO O=C(Nc1ccc(Br)cc1F)C(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000190010011 552485009 /nfs/dbraw/zinc/48/50/09/552485009.db2.gz FXCOKAQACXOSBD-CYBMUJFWSA-N 1 0 398.276 2.614 20 0 GFADRO CCCN(CCC[NH+](C)C)C(=O)C(=O)Nc1cccc(Br)c1C ZINC000190152073 552488689 /nfs/dbraw/zinc/48/86/89/552488689.db2.gz GWAJKYDTHXRREQ-UHFFFAOYSA-N 1 0 384.318 2.886 20 0 GFADRO COC(=O)c1scc(C)c1S(=O)(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000190228971 552490903 /nfs/dbraw/zinc/49/09/03/552490903.db2.gz PFMMABPHQFXCMK-UHFFFAOYSA-N 1 0 386.539 2.528 20 0 GFADRO Cc1cccc(CNC(=O)N(C)CCCN2CC[NH+](C)CC2)c1Br ZINC000190506154 552498671 /nfs/dbraw/zinc/49/86/71/552498671.db2.gz UFIASPZLEYBZCE-UHFFFAOYSA-N 1 0 397.361 2.536 20 0 GFADRO CCS(=O)(=O)N1CC(C[NH2+][C@@H](c2ccc(Br)cc2)C2CC2)C1 ZINC000190677187 552505869 /nfs/dbraw/zinc/50/58/69/552505869.db2.gz DUKOGKIPORHJBT-MRXNPFEDSA-N 1 0 387.343 2.771 20 0 GFADRO COCC[N@H+](C)CCCNC(=O)Nc1cc(Br)c(F)cc1C ZINC000190884738 552512007 /nfs/dbraw/zinc/51/20/07/552512007.db2.gz FBZINPJZIWNLJT-UHFFFAOYSA-N 1 0 376.270 2.986 20 0 GFADRO C[C@@H](CNC(=O)Cc1ccc(I)cc1)C[NH+]1CCCC1 ZINC000190894942 552512630 /nfs/dbraw/zinc/51/26/30/552512630.db2.gz LATSCRYVOQYXCT-ZDUSSCGKSA-N 1 0 386.277 2.682 20 0 GFADRO C[C@H]1C[C@H](NC(=O)Cc2ccc(I)cc2)C[N@@H+]1C1CC1 ZINC000190966921 552515048 /nfs/dbraw/zinc/51/50/48/552515048.db2.gz BEUJSSZCHHCDGC-FZMZJTMJSA-N 1 0 384.261 2.575 20 0 GFADRO COCC[NH+]1CCC(N[C@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)CC1 ZINC000190972885 552515191 /nfs/dbraw/zinc/51/51/91/552515191.db2.gz WUPSQBZSZCWPCM-INIZCTEOSA-N 1 0 386.323 2.799 20 0 GFADRO C[C@H]1C[C@@H](NC(=O)Cc2ccc(I)cc2)C[N@@H+]1C1CC1 ZINC000190966953 552515380 /nfs/dbraw/zinc/51/53/80/552515380.db2.gz BEUJSSZCHHCDGC-SMDDNHRTSA-N 1 0 384.261 2.575 20 0 GFADRO Cn1cc([C@@H]2CSCC[N@@H+]2CCC(=O)N2CCc3sccc3C2)cn1 ZINC000191217840 552521614 /nfs/dbraw/zinc/52/16/14/552521614.db2.gz RGLQJJSWDILVJE-INIZCTEOSA-N 1 0 376.551 2.547 20 0 GFADRO CC[C@H]([NH2+]Cc1cc(Br)c(Cl)s1)C(=O)N1CCOCC1 ZINC000191299458 552524307 /nfs/dbraw/zinc/52/43/07/552524307.db2.gz LPGIGQGXLVDCDD-NSHDSACASA-N 1 0 381.723 2.891 20 0 GFADRO COC(=O)CCC[N@H+](C)Cc1cccc(Br)c1OCC(C)(C)O ZINC000191347917 552525331 /nfs/dbraw/zinc/52/53/31/552525331.db2.gz XFBMPWJBMSRUTE-UHFFFAOYSA-N 1 0 388.302 2.984 20 0 GFADRO Cc1ccc(C[NH2+][C@H]2CCCC[C@H]2S(C)(=O)=O)c(-n2cc(Cl)cn2)n1 ZINC000191531512 552531031 /nfs/dbraw/zinc/53/10/31/552531031.db2.gz RLDXXZRCPLDFPF-JKSUJKDBSA-N 1 0 382.917 2.675 20 0 GFADRO COC(=O)C[C@@H]1CCC[N@@H+]1Cc1ccc(Br)cc1N1CCOCC1 ZINC000191693685 552534764 /nfs/dbraw/zinc/53/47/64/552534764.db2.gz MEFQHGBEMNXHIA-INIZCTEOSA-N 1 0 397.313 2.813 20 0 GFADRO COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000191895213 552541759 /nfs/dbraw/zinc/54/17/59/552541759.db2.gz SIQJOEDWVBCWOP-UHFFFAOYSA-N 1 0 386.279 2.684 20 0 GFADRO O=C(NCC[NH+]1CCCCC1)C(=O)Nc1cccc(Cl)c1Br ZINC000191890337 552541792 /nfs/dbraw/zinc/54/17/92/552541792.db2.gz CWKXVLKDIITLOU-UHFFFAOYSA-N 1 0 388.693 2.643 20 0 GFADRO O=C(Nc1cccc(Cl)c1Br)C(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000192053405 552547769 /nfs/dbraw/zinc/54/77/69/552547769.db2.gz DGXYWBMWBLSBIJ-LLVKDONJSA-N 1 0 398.688 2.514 20 0 GFADRO NC(=O)CC[C@H]1CCC[N@@H+]([C@@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000192072523 552548949 /nfs/dbraw/zinc/54/89/49/552548949.db2.gz MXPQUSJNLKKFQB-CZUORRHYSA-N 1 0 394.313 2.532 20 0 GFADRO COCCOC[C@H]1CC[N@@H+]([C@@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000192073786 552549892 /nfs/dbraw/zinc/54/98/92/552549892.db2.gz BUDFMISPPXKTCN-WMLDXEAASA-N 1 0 397.313 2.539 20 0 GFADRO CN1CC[NH+](CC2CCN(C(=O)c3cccc(Br)c3F)CC2)CC1 ZINC000192088817 552550129 /nfs/dbraw/zinc/55/01/29/552550129.db2.gz ZVAHCYCXLQUKLR-UHFFFAOYSA-N 1 0 398.320 2.688 20 0 GFADRO C[C@@H](C(=O)NCC1CC[NH+](Cc2cccs2)CC1)N(C)CC(F)(F)F ZINC000192196892 552555211 /nfs/dbraw/zinc/55/52/11/552555211.db2.gz VWWWTRGLPWIJPJ-ZDUSSCGKSA-N 1 0 377.476 2.959 20 0 GFADRO COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000192194519 552555298 /nfs/dbraw/zinc/55/52/98/552555298.db2.gz XVDHAWXHOKKKJS-QWRGUYRKSA-N 1 0 388.295 2.882 20 0 GFADRO CS(=O)(=O)N[C@@H]1CCC[C@H]1C[NH2+]Cc1ccc(Br)c(Cl)c1 ZINC000192197888 552555832 /nfs/dbraw/zinc/55/58/32/552555832.db2.gz JXEMXMOZIMGPAB-SMDDNHRTSA-N 1 0 395.750 2.910 20 0 GFADRO O=C1NC(=O)[C@]2(CCC[N@@H+](CC/C=C/c3ccc(Br)cc3)C2)N1 ZINC000192644312 552568374 /nfs/dbraw/zinc/56/83/74/552568374.db2.gz CIYQAOKTCJGFBM-NZURWCHMSA-N 1 0 378.270 2.526 20 0 GFADRO COc1cc(Cl)c(S(=O)(=O)NCc2nccn2CC(C)C)cc1OC ZINC000192824945 552974995 /nfs/dbraw/zinc/97/49/95/552974995.db2.gz BYDPONWPRXUBLI-UHFFFAOYSA-N 1 0 387.889 2.688 20 0 GFADRO C[C@@H]1CCCC[C@@]1(C[NH3+])NS(=O)(=O)Cc1ccc(Br)cc1 ZINC000193038618 552981129 /nfs/dbraw/zinc/98/11/29/552981129.db2.gz QBPIUMPLMPKLEM-DOMZBBRYSA-N 1 0 375.332 2.776 20 0 GFADRO CC(C)[C@H](CNS(=O)(=O)c1cccc(Cl)c1Cl)N1CC[NH+](C)CC1 ZINC000193099933 552983582 /nfs/dbraw/zinc/98/35/82/552983582.db2.gz ATEAQBLPAAMTKC-AWEZNQCLSA-N 1 0 394.368 2.544 20 0 GFADRO C[NH+](C)CCOc1cccc(CNC(=O)c2ncccc2Br)c1 ZINC000193122782 552984044 /nfs/dbraw/zinc/98/40/44/552984044.db2.gz XHQLYBZKPAJDEJ-UHFFFAOYSA-N 1 0 378.270 2.715 20 0 GFADRO COC(=O)CS(=O)(=O)Cc1ccc(C[NH2+]Cc2cc(Cl)cs2)cc1 ZINC000193150252 552984757 /nfs/dbraw/zinc/98/47/57/552984757.db2.gz OCHMIAFJXHFPJH-UHFFFAOYSA-N 1 0 387.910 2.779 20 0 GFADRO [NH3+]CC1(NS(=O)(=O)c2cc(Cl)c(Br)cc2F)CCCC1 ZINC000193275627 552988478 /nfs/dbraw/zinc/98/84/78/552988478.db2.gz RHMRABAZNTYOGO-UHFFFAOYSA-N 1 0 385.686 2.791 20 0 GFADRO O=S(=O)(NCC1=CC[NH2+]CC1)c1cc(C(F)(F)F)ccc1Br ZINC000193384300 552991812 /nfs/dbraw/zinc/99/18/12/552991812.db2.gz UJNLMBBKJXOZLI-UHFFFAOYSA-N 1 0 399.232 2.666 20 0 GFADRO Cc1c(Br)ccc(NC(=O)C(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)c1F ZINC000193410439 552992320 /nfs/dbraw/zinc/99/23/20/552992320.db2.gz SMFPIWBOWDQJNJ-JQWIXIFHSA-N 1 0 398.276 2.530 20 0 GFADRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1 ZINC000193582840 552997465 /nfs/dbraw/zinc/99/74/65/552997465.db2.gz VOGJBLYMLQTRCF-BBRMVZONSA-N 1 0 384.929 2.683 20 0 GFADRO CC[NH+](CC)CCN(C(=O)Nc1ccccc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000193612408 552998430 /nfs/dbraw/zinc/99/84/30/552998430.db2.gz GCPCRPYAAWNZQE-CQSZACIVSA-N 1 0 387.933 2.703 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000193706933 553001062 /nfs/dbraw/zinc/00/10/62/553001062.db2.gz MEINGNSACAUEGJ-UHFFFAOYSA-N 1 0 394.313 2.687 20 0 GFADRO CSC1(C[NH2+][C@H](C)c2cccc(S(=O)(=O)N3CCOCC3)c2)CCC1 ZINC000193805464 553003817 /nfs/dbraw/zinc/00/38/17/553003817.db2.gz DIIJAYUECMSPRR-OAHLLOKOSA-N 1 0 384.567 2.644 20 0 GFADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)Cc2cccc(Cl)c2Cl)CC1 ZINC000194036837 553010638 /nfs/dbraw/zinc/01/06/38/553010638.db2.gz XHWGUKHSEWAMSF-UHFFFAOYSA-N 1 0 386.323 2.549 20 0 GFADRO CC[C@H]([NH2+]C1CC(c2ccc(Br)cc2)C1)C(=O)N1CCOCC1 ZINC000194072173 553011224 /nfs/dbraw/zinc/01/12/24/553011224.db2.gz ILRRAOYWJMZXIC-PREGVCBESA-N 1 0 381.314 2.922 20 0 GFADRO O=C(CNC(=O)c1ccc(Br)cc1)NCCC[NH+]1CCCCCC1 ZINC000194061180 553011230 /nfs/dbraw/zinc/01/12/30/553011230.db2.gz YKARMSUZLMPCCL-UHFFFAOYSA-N 1 0 396.329 2.561 20 0 GFADRO CN(C)C(=O)[C@@H]1CC[C@H](C[NH2+]C2CC(c3ccc(Br)cc3)C2)O1 ZINC000194133650 553012925 /nfs/dbraw/zinc/01/29/25/553012925.db2.gz DTRVPYHQPWLJQR-BNICSPFPSA-N 1 0 381.314 2.921 20 0 GFADRO Cc1ccc(Br)c(S(=O)(=O)N(CC[NH3+])Cc2ccccc2)c1 ZINC000194747670 553028775 /nfs/dbraw/zinc/02/87/75/553028775.db2.gz FDOQBCPXZZYWJN-UHFFFAOYSA-N 1 0 383.311 2.907 20 0 GFADRO [NH3+]CCc1nc(C(=O)NCC2(c3ccc(Cl)cc3)CCOCC2)cs1 ZINC000194788755 553029771 /nfs/dbraw/zinc/02/97/71/553029771.db2.gz LRHXTASBTSCTRB-UHFFFAOYSA-N 1 0 379.913 2.776 20 0 GFADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)NCc2sccc2Br)C1 ZINC000195206000 553041228 /nfs/dbraw/zinc/04/12/28/553041228.db2.gz LZBGYTLJHLDQLP-LBPRGKRZSA-N 1 0 390.347 2.667 20 0 GFADRO C[C@@H]1OCC[C@@]1(O)C[NH2+]Cc1ccc(Br)c(Br)c1 ZINC000227974675 553063315 /nfs/dbraw/zinc/06/33/15/553063315.db2.gz IXTABPLTYBCRKG-TVQRCGJNSA-N 1 0 379.092 2.841 20 0 GFADRO COCC[N@@H+]1CCCN(C(=O)c2cc(Cl)ccc2Br)CC1 ZINC000221262016 553055246 /nfs/dbraw/zinc/05/52/46/553055246.db2.gz RXXOONIRFGPARE-UHFFFAOYSA-N 1 0 375.694 2.897 20 0 GFADRO COCC(=O)N1CCC([NH2+]Cc2cc(Br)ccc2Cl)CC1 ZINC000225272255 553058788 /nfs/dbraw/zinc/05/87/88/553058788.db2.gz GJLBBEXTABREJW-UHFFFAOYSA-N 1 0 375.694 2.830 20 0 GFADRO C[NH+](C)C1(CNS(=O)(=O)c2ccc(Br)c(F)c2)CCCC1 ZINC000230597336 553064900 /nfs/dbraw/zinc/06/49/00/553064900.db2.gz PPTSCQZOYWSJSU-UHFFFAOYSA-N 1 0 379.295 2.741 20 0 GFADRO CC[C@@H](C)[NH+]1CCN(C(=O)c2ccc(I)c(O)c2)CC1 ZINC000233851313 553067091 /nfs/dbraw/zinc/06/70/91/553067091.db2.gz BKYGCDCLMMANNU-LLVKDONJSA-N 1 0 388.249 2.553 20 0 GFADRO O=C(CCC1CC[NH2+]CC1)Nc1ncn(Cc2cccc(Br)c2)n1 ZINC000236570488 553069149 /nfs/dbraw/zinc/06/91/49/553069149.db2.gz QFKOGYNIYVQOFO-UHFFFAOYSA-N 1 0 392.301 2.807 20 0 GFADRO O=C(NCC[C@H]1CCC[NH2+]C1)c1ccn(-c2cccc(Br)c2)n1 ZINC000236583447 553069164 /nfs/dbraw/zinc/06/91/64/553069164.db2.gz PJFZARNZVSPHSG-CYBMUJFWSA-N 1 0 377.286 2.754 20 0 GFADRO O=C(N[C@@H](c1ccccc1)c1ccc(Br)cc1)[C@@H]1C[NH2+]CCO1 ZINC000236742513 553071028 /nfs/dbraw/zinc/07/10/28/553071028.db2.gz ZWIKMMZCLFGKJK-IRXDYDNUSA-N 1 0 375.266 2.643 20 0 GFADRO O=C(NCC[C@@H]1CCC[NH2+]C1)c1cc(-c2ccc(Br)cc2)n[nH]1 ZINC000236750735 553071203 /nfs/dbraw/zinc/07/12/03/553071203.db2.gz QNYYGOZQSCWTQN-LBPRGKRZSA-N 1 0 377.286 2.959 20 0 GFADRO CCCC[C@H](C[NH3+])NC(=O)C[C@H](NC(C)=O)c1ccc(Br)cc1 ZINC000236895704 553072950 /nfs/dbraw/zinc/07/29/50/553072950.db2.gz KQLUTSZQHQNDGK-CVEARBPZSA-N 1 0 384.318 2.650 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000237093424 553074067 /nfs/dbraw/zinc/07/40/67/553074067.db2.gz CWILQTCFZBONIK-AWEZNQCLSA-N 1 0 394.313 2.544 20 0 GFADRO C[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C1 ZINC000237242403 553076132 /nfs/dbraw/zinc/07/61/32/553076132.db2.gz OUYVFOVYIUFIGI-GXTWGEPZSA-N 1 0 384.307 2.804 20 0 GFADRO Cc1c(I)cccc1C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000237225122 553076182 /nfs/dbraw/zinc/07/61/82/553076182.db2.gz NNUKSTJLELTQGI-FUNVUKJBSA-N 1 0 384.261 2.955 20 0 GFADRO COc1cc(CNC(=O)[C@H]([NH3+])Cc2ccccc2)cc(Br)c1OC ZINC000237353139 553077290 /nfs/dbraw/zinc/07/72/90/553077290.db2.gz VWPTXVWHJMHYCB-OAHLLOKOSA-N 1 0 393.281 2.653 20 0 GFADRO C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)c1nn(-c2ccc(F)cc2)cc1Br ZINC000237500640 553078049 /nfs/dbraw/zinc/07/80/49/553078049.db2.gz DDOSEHKPCQFZOR-PWSUYJOCSA-N 1 0 381.249 2.726 20 0 GFADRO C[C@@H](NC(=O)[C@]1(C)CCCC[NH2+]1)c1cc2c(cc1Br)OCCO2 ZINC000237466904 553078314 /nfs/dbraw/zinc/07/83/14/553078314.db2.gz YXEXNRGMTTWXKN-DIFFPNOSSA-N 1 0 383.286 2.930 20 0 GFADRO C[C@@H](NC(=O)[C@]1(C)CCC[NH2+]C1)c1cc2c(cc1Br)OCCO2 ZINC000237469635 553078449 /nfs/dbraw/zinc/07/84/49/553078449.db2.gz IQHNJWZTRVLUFE-PIGZYNQJSA-N 1 0 383.286 2.787 20 0 GFADRO C[C@@]1(C(=O)N2CCN(C(=O)c3cccc(Cl)c3Cl)CC2)CCC[NH2+]C1 ZINC000237555604 553078712 /nfs/dbraw/zinc/07/87/12/553078712.db2.gz IGPFHZVPSCMMHP-GOSISDBHSA-N 1 0 384.307 2.668 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000237558285 553079261 /nfs/dbraw/zinc/07/92/61/553079261.db2.gz WVBXSWTWPOHBSZ-OCCSQVGLSA-N 1 0 382.302 2.720 20 0 GFADRO C[C@]1(C(=O)NC[C@H]2CCN(c3cccc(Br)c3)C2)CCCC[NH2+]1 ZINC000237566951 553079549 /nfs/dbraw/zinc/07/95/49/553079549.db2.gz OHZIHXSPOWBUFL-RDTXWAMCSA-N 1 0 380.330 2.924 20 0 GFADRO C[C@H]1C[C@H]([NH3+])CCN1C(=O)c1ccc(Cl)c(I)c1 ZINC000237616057 553079999 /nfs/dbraw/zinc/07/99/99/553079999.db2.gz PTSVAHZCNAQOPC-WCBMZHEXSA-N 1 0 378.641 2.896 20 0 GFADRO C[C@H]1CCCN(C(=O)c2ccc(I)c(F)c2)[C@@H]1C[NH3+] ZINC000237715056 553081164 /nfs/dbraw/zinc/08/11/64/553081164.db2.gz YDVGEGIOBPKWTO-TVQRCGJNSA-N 1 0 376.213 2.630 20 0 GFADRO O=C(C[NH2+]C[C@@H]1CCCO1)Nc1ccnn1Cc1ccc(Cl)cc1Cl ZINC000237720371 553081300 /nfs/dbraw/zinc/08/13/00/553081300.db2.gz KVXFTFPTXMPQQF-AWEZNQCLSA-N 1 0 383.279 2.945 20 0 GFADRO Cc1cc(Cc2cnc(NC(=O)[C@@H]3C[NH2+]CCO3)s2)ccc1Br ZINC000237778919 553081717 /nfs/dbraw/zinc/08/17/17/553081717.db2.gz YAJAMEPLFCNBNY-AWEZNQCLSA-N 1 0 396.310 2.732 20 0 GFADRO Cc1cc(S(=O)(=O)NCC[C@@H]2CCC[NH2+]C2)c(C)cc1Br ZINC000237787734 553081958 /nfs/dbraw/zinc/08/19/58/553081958.db2.gz RRSMUORKUVMFPW-ZDUSSCGKSA-N 1 0 375.332 2.734 20 0 GFADRO [NH3+]CCCNC(=O)c1nn(-c2ccc(Br)cc2)c2c1CCCC2 ZINC000237812718 553082334 /nfs/dbraw/zinc/08/23/34/553082334.db2.gz ZTTVAVQIUYSTDO-UHFFFAOYSA-N 1 0 377.286 2.592 20 0 GFADRO [NH3+]CC1CCN(C(=O)c2nn(-c3ccc(F)cc3)cc2Br)CC1 ZINC000237823149 553082418 /nfs/dbraw/zinc/08/24/18/553082418.db2.gz HFAIPHBIYHBZMI-UHFFFAOYSA-N 1 0 381.249 2.585 20 0 GFADRO [NH3+][C@@H](CC(=O)N1CCN(c2ccc(Br)cn2)CC1)c1ccccc1 ZINC000237876233 553083357 /nfs/dbraw/zinc/08/33/57/553083357.db2.gz ZCVOYVRUFZQFHU-INIZCTEOSA-N 1 0 389.297 2.583 20 0 GFADRO [NH3+]C1CCN(CC(=O)Nc2ccc(Br)c(C(F)(F)F)c2)CC1 ZINC000237874115 553083399 /nfs/dbraw/zinc/08/33/99/553083399.db2.gz LTSZWQHZHPYCTQ-UHFFFAOYSA-N 1 0 380.208 2.830 20 0 GFADRO Cc1cc(C(=O)NC2CC3CCC(C2)[NH2+]3)nn1-c1ccc(Br)cc1 ZINC000237860353 553083634 /nfs/dbraw/zinc/08/36/34/553083634.db2.gz ZVYHPJARAGOFSG-YIONKMFJSA-N 1 0 389.297 2.956 20 0 GFADRO O=C(Nc1cccc(S(=O)(=O)Nc2ccccc2Cl)c1)[C@@H]1CCC[NH2+]1 ZINC000237921046 553084127 /nfs/dbraw/zinc/08/41/27/553084127.db2.gz ZXYLWYXNPRTDGS-INIZCTEOSA-N 1 0 379.869 2.831 20 0 GFADRO [NH3+]C[C@@H](C(=O)N[C@H]1CCN(c2ccccc2Br)C1)c1ccccc1 ZINC000238037054 553085102 /nfs/dbraw/zinc/08/51/02/553085102.db2.gz BLURHCGRFTZHFG-JKSUJKDBSA-N 1 0 388.309 2.887 20 0 GFADRO CC[C@@H]1CCCCN1CC(=O)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1 ZINC000245383248 553089165 /nfs/dbraw/zinc/08/91/65/553089165.db2.gz ODTXHQRLTIFDLN-CVEARBPZSA-N 1 0 384.567 2.528 20 0 GFADRO Cc1cc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](CC(N)=O)C2)ccc1Br ZINC000245407682 553090120 /nfs/dbraw/zinc/09/01/20/553090120.db2.gz CGXGRQKVIADGSD-STQMWFEESA-N 1 0 382.302 2.672 20 0 GFADRO NC(=O)[C@@H](c1ccc(Br)cc1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000245452442 553090988 /nfs/dbraw/zinc/09/09/88/553090988.db2.gz QJDMUXLJYPDZDT-WMLDXEAASA-N 1 0 380.330 2.783 20 0 GFADRO NC(=O)[C@H]([NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2)c1cccc(Br)c1 ZINC000245669715 553095106 /nfs/dbraw/zinc/09/51/06/553095106.db2.gz JTRSJUPMBBOSMM-KLHDSHLOSA-N 1 0 379.298 2.913 20 0 GFADRO NC(=O)[C@@H](c1cccc(Br)c1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000245785454 553097153 /nfs/dbraw/zinc/09/71/53/553097153.db2.gz MSUSRTQCUBVASS-IAGOWNOFSA-N 1 0 380.330 2.926 20 0 GFADRO C[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)C1 ZINC000245822422 553097743 /nfs/dbraw/zinc/09/77/43/553097743.db2.gz WHZMSAWQLLHOTB-BLLLJJGKSA-N 1 0 384.307 2.666 20 0 GFADRO C[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)C1 ZINC000245822427 553097834 /nfs/dbraw/zinc/09/78/34/553097834.db2.gz WHZMSAWQLLHOTB-MLGOLLRUSA-N 1 0 384.307 2.666 20 0 GFADRO CC[C@@H](C)[N@H+](C)CCNC(=O)[C@H]1CSCN1C(=O)c1ccc(Cl)cc1 ZINC000245912199 553099224 /nfs/dbraw/zinc/09/92/24/553099224.db2.gz PGWGRCCEZJEPQB-CZUORRHYSA-N 1 0 383.945 2.702 20 0 GFADRO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)c1cccnc1Br ZINC000246146964 553103458 /nfs/dbraw/zinc/10/34/58/553103458.db2.gz YUGDAVHOUFPUHG-CZUORRHYSA-N 1 0 389.297 2.880 20 0 GFADRO O=C(CC[N@@H+]1CCO[C@@H]([C@H]2CCCO2)C1)Nc1ccc(Br)cc1 ZINC000246302111 553105570 /nfs/dbraw/zinc/10/55/70/553105570.db2.gz VHSZTJBHZNLASO-HZPDHXFCSA-N 1 0 383.286 2.658 20 0 GFADRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NS(=O)(=O)c1ccccc1OC(F)F ZINC000246509056 553109250 /nfs/dbraw/zinc/10/92/50/553109250.db2.gz OQPFONGTWAGJGS-MCIONIFRSA-N 1 0 376.469 2.933 20 0 GFADRO C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N1CCN(C[C@H](C)O)[C@H](C)C1 ZINC000246620475 553110640 /nfs/dbraw/zinc/11/06/40/553110640.db2.gz DAWLAINRNZPCDC-FRRDWIJNSA-N 1 0 375.296 2.674 20 0 GFADRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2cc(Br)cn2C)[C@@H](C)C1 ZINC000246922046 553115436 /nfs/dbraw/zinc/11/54/36/553115436.db2.gz WQHBHJAPEJTTED-DZGCQCFKSA-N 1 0 386.334 2.654 20 0 GFADRO O=C(CN1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)Nc1ccc(Br)cn1 ZINC000246948806 553116053 /nfs/dbraw/zinc/11/60/53/553116053.db2.gz UMPADCMYBYSOOE-XJKSGUPXSA-N 1 0 393.329 2.731 20 0 GFADRO CN(CC(=O)Nc1c(F)cc(F)cc1Br)C[C@H]1CCC[C@H]1O ZINC000247004401 553117012 /nfs/dbraw/zinc/11/70/12/553117012.db2.gz UFZIEMFRNRDDKB-NOZJJQNGSA-N 1 0 377.229 2.759 20 0 GFADRO NC(=O)[C@H]([NH2+][C@@H]1CCO[C@@]2(CCSC2)C1)c1ccc(Br)cc1 ZINC000247063670 553118154 /nfs/dbraw/zinc/11/81/54/553118154.db2.gz VELPFUVQBPXYDJ-FMKPAKJESA-N 1 0 385.327 2.620 20 0 GFADRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)S(=O)(=O)Cc1ccc(Br)cc1 ZINC000247241037 553120442 /nfs/dbraw/zinc/12/04/42/553120442.db2.gz YYUKMYGXXGSPKL-SWLSCSKDSA-N 1 0 375.332 2.551 20 0 GFADRO O=C([C@H](c1ccccc1)N1CCSCC1)N1CCS[C@H]2COCC[C@H]21 ZINC000247562078 553124039 /nfs/dbraw/zinc/12/40/39/553124039.db2.gz RYDSMFMRCZTTMQ-SQNIBIBYSA-N 1 0 378.563 2.509 20 0 GFADRO O[C@H](COc1cccc(Br)c1)C[N@@H+]1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000247933286 553126491 /nfs/dbraw/zinc/12/64/91/553126491.db2.gz CFPFVCHZTAVSHY-ZVZYQTTQSA-N 1 0 384.314 2.816 20 0 GFADRO C[C@H](Cn1cc(Br)cn1)[NH2+][C@H]1CCN(Cc2ccccn2)C[C@@H]1C ZINC000247959796 553126752 /nfs/dbraw/zinc/12/67/52/553126752.db2.gz GBQNAUFNOSQHMK-DAYGRLMNSA-N 1 0 392.345 2.929 20 0 GFADRO COc1cc(/C=C\C(=O)N2CCC3CCC(C2)[N@@H+]3C)cc(Br)c1O ZINC000248408531 553129567 /nfs/dbraw/zinc/12/95/67/553129567.db2.gz VPCWSPGSUBZKAP-IVDJAJHCSA-N 1 0 395.297 2.872 20 0 GFADRO Cc1nc(C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)nn1-c1c(Cl)cccc1Cl ZINC000248592046 553131291 /nfs/dbraw/zinc/13/12/91/553131291.db2.gz HIYDRIMXNDNCFA-COPLHBTASA-N 1 0 380.279 2.692 20 0 GFADRO O[C@@H](C[N@@H+]1CCC[C@@H](Cn2ccnn2)C1)c1ccc(F)c(Br)c1 ZINC000248571077 553131455 /nfs/dbraw/zinc/13/14/55/553131455.db2.gz QZVIKMFZYNGUSU-WBMJQRKESA-N 1 0 383.265 2.625 20 0 GFADRO C[C@@H](NC(=O)N1CC[N@@H+](C[C@H](C)O)[C@H](C)C1)c1cccc(Br)c1 ZINC000248626050 553132034 /nfs/dbraw/zinc/13/20/34/553132034.db2.gz ODDHXKFQDMUYRP-HZSPNIEDSA-N 1 0 384.318 2.607 20 0 GFADRO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)c1cc(OC)c(OC)cc1Cl ZINC000248779031 553135159 /nfs/dbraw/zinc/13/51/59/553135159.db2.gz UUMJXTSLFOICRO-STQMWFEESA-N 1 0 388.917 2.605 20 0 GFADRO Cc1cc(Br)cc(S(=O)(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)c1 ZINC000249099901 553138886 /nfs/dbraw/zinc/13/88/86/553138886.db2.gz ZUDWOPRSNPACDJ-CZUORRHYSA-N 1 0 387.343 2.862 20 0 GFADRO C[C@H](Cc1ccc(Br)cc1)C(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C ZINC000249365641 553142436 /nfs/dbraw/zinc/14/24/36/553142436.db2.gz MIFCFKYILCLDFZ-HUUCEWRRSA-N 1 0 397.357 2.931 20 0 GFADRO O[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3C[N@@H+]2Cc1cc2c(cc1Br)OCCCO2 ZINC000249423305 553142821 /nfs/dbraw/zinc/14/28/21/553142821.db2.gz DLORUWIOGPLKDJ-WRHMKCCWSA-N 1 0 380.282 2.812 20 0 GFADRO C[C@H]1[C@@H]([NH3+])CCN1S(=O)(=O)c1c(Cl)cc(Br)cc1Cl ZINC000261587234 553153267 /nfs/dbraw/zinc/15/32/67/553153267.db2.gz JJKJZBUBCDRFNQ-WKEGUHRASA-N 1 0 388.114 2.866 20 0 GFADRO CN(CC[NH+]1CCCC1)C(=O)[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000261383618 553153326 /nfs/dbraw/zinc/15/33/26/553153326.db2.gz DAOLMFGDHXVHLY-AWEZNQCLSA-N 1 0 384.307 2.901 20 0 GFADRO CN(CC[NH+]1CCCC1)C(=O)[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000261383619 553153587 /nfs/dbraw/zinc/15/35/87/553153587.db2.gz DAOLMFGDHXVHLY-CQSZACIVSA-N 1 0 384.307 2.901 20 0 GFADRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C1(c2ccc(Br)cc2)CCOCC1 ZINC000261620183 553154532 /nfs/dbraw/zinc/15/45/32/553154532.db2.gz BVICRJOHRZQZCM-KGLIPLIRSA-N 1 0 381.314 2.693 20 0 GFADRO O=C(CC[C@H]1CC[NH2+]C1)NC1CCN(Cc2ccc(Br)cc2)CC1 ZINC000261672823 553155971 /nfs/dbraw/zinc/15/59/71/553155971.db2.gz AUMOHDMPMWSRMJ-HNNXBMFYSA-N 1 0 394.357 2.919 20 0 GFADRO [NH3+][C@H](C(=O)NCC1(c2ccc(Br)cc2)CCC1)C1CCOCC1 ZINC000261705226 553156688 /nfs/dbraw/zinc/15/66/88/553156688.db2.gz IIMASZHPRLIODZ-INIZCTEOSA-N 1 0 381.314 2.741 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H]2CN(S(=O)(=O)c3c(Cl)cccc3Br)C[C@H]21 ZINC000261696493 553156749 /nfs/dbraw/zinc/15/67/49/553156749.db2.gz NUMXKLALVRDTKH-GIPNMCIBSA-N 1 0 393.734 2.850 20 0 GFADRO C[C@]([NH3+])(C(=O)NCCC(=O)N1CCCCCC1)c1ccc(Br)cc1 ZINC000261697719 553156837 /nfs/dbraw/zinc/15/68/37/553156837.db2.gz IEOLRPFUQXPIOF-GOSISDBHSA-N 1 0 396.329 2.532 20 0 GFADRO O=C(NC[C@H]1CCCN(Cc2cc(Br)ccc2F)C1)[C@H]1CCC[NH2+]1 ZINC000261705318 553156948 /nfs/dbraw/zinc/15/69/48/553156948.db2.gz PDPLJLOFQYENJR-CXAGYDPISA-N 1 0 398.320 2.668 20 0 GFADRO O=C(C[C@H]1Sc2ccc(Cl)cc2NC1=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000261746259 553158045 /nfs/dbraw/zinc/15/80/45/553158045.db2.gz ITLXGFYUVQRELU-OAHLLOKOSA-N 1 0 379.913 2.745 20 0 GFADRO C[C@]([NH3+])(C(=O)Nc1nc2c(s1)COCC2)c1ccc(Br)cc1 ZINC000261748940 553158066 /nfs/dbraw/zinc/15/80/66/553158066.db2.gz MLJHHLMEQCILSR-OAHLLOKOSA-N 1 0 382.283 2.791 20 0 GFADRO C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000261763676 553158720 /nfs/dbraw/zinc/15/87/20/553158720.db2.gz JXHFCMSONNRPAQ-UPJWGTAASA-N 1 0 384.307 2.570 20 0 GFADRO C[C@@H]1C[NH2+]CCN1CC(=O)Nc1ccc(Br)c(C(F)(F)F)c1 ZINC000261770983 553158731 /nfs/dbraw/zinc/15/87/31/553158731.db2.gz MQQXPJIREMNUTE-SECBINFHSA-N 1 0 380.208 2.700 20 0 GFADRO C[NH2+][C@H](C)Cc1noc(-c2cc(S(=O)(=O)N(C)C(C)C)ccc2Cl)n1 ZINC000261789627 553159339 /nfs/dbraw/zinc/15/93/39/553159339.db2.gz OJHGYYPSULLZIC-LLVKDONJSA-N 1 0 386.905 2.569 20 0 GFADRO Cc1ccc([C@H]([NH3+])C(=O)N2CCN(c3ccc(Br)cn3)CC2)cc1 ZINC000261793162 553159354 /nfs/dbraw/zinc/15/93/54/553159354.db2.gz ZCWLDJGAPZGDFD-KRWDZBQOSA-N 1 0 389.297 2.501 20 0 GFADRO C[C@@H](COCC(F)(F)F)NC(=O)[C@@](C)([NH3+])c1ccc(Br)cc1 ZINC000261808219 553159727 /nfs/dbraw/zinc/15/97/27/553159727.db2.gz RQWBZUNGCDJCCP-ZANVPECISA-N 1 0 383.208 2.707 20 0 GFADRO C[NH2+][C@@H](C)CNC(=O)[C@@H](CCSC)NC(=O)c1ccc(Cl)cc1Cl ZINC000261799053 553159828 /nfs/dbraw/zinc/15/98/28/553159828.db2.gz RQFBPZSTRCPWDQ-IINYFYTJSA-N 1 0 392.352 2.569 20 0 GFADRO [NH3+]C1(c2noc(-c3cc(F)c(F)cc3I)n2)CCC1 ZINC000261816146 553159976 /nfs/dbraw/zinc/15/99/76/553159976.db2.gz QFNVBYDEMPHTRC-UHFFFAOYSA-N 1 0 377.132 2.957 20 0 GFADRO C[NH2+][C@@H](C)Cc1noc([C@@H]2CCN(c3ccccc3Br)C2=O)n1 ZINC000261830899 553160440 /nfs/dbraw/zinc/16/04/40/553160440.db2.gz RDYMDQBACNGQHC-QWRGUYRKSA-N 1 0 379.258 2.503 20 0 GFADRO Brc1cc(CN2CC[NH2+]C[C@H]2c2cccnc2)cc2c1OCO2 ZINC000261831948 553160452 /nfs/dbraw/zinc/16/04/52/553160452.db2.gz SYEYJVUVNMISFM-HNNXBMFYSA-N 1 0 376.254 2.719 20 0 GFADRO [NH3+][C@@H](C(=O)NCCOc1c(Cl)cc(Cl)cc1Cl)C1CCOCC1 ZINC000261882294 553161537 /nfs/dbraw/zinc/16/15/37/553161537.db2.gz UQYZMQOPGPTIBL-CYBMUJFWSA-N 1 0 381.687 2.896 20 0 GFADRO CCN(CC)S(=O)(=O)c1cc(NC(=O)CC[C@H]2CC[NH2+]C2)ccc1Cl ZINC000261889074 553162164 /nfs/dbraw/zinc/16/21/64/553162164.db2.gz WAEUGILWZLKZDD-ZDUSSCGKSA-N 1 0 387.933 2.699 20 0 GFADRO C[C@@H]1CCN(C(=O)[C@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)[C@H](C[NH3+])C1 ZINC000261909397 553162362 /nfs/dbraw/zinc/16/23/62/553162362.db2.gz XJLMXPLTINHINT-KWCYVHTRSA-N 1 0 384.307 2.932 20 0 GFADRO C[C@]([NH3+])(C(=O)NCCOc1ncccc1Cl)c1ccc(Br)cc1 ZINC000261918660 553162689 /nfs/dbraw/zinc/16/26/89/553162689.db2.gz YMGDFTNZLNQQQI-MRXNPFEDSA-N 1 0 398.688 2.867 20 0 GFADRO C[C@@]([NH3+])(C(=O)NCCOc1ncccc1Cl)c1ccc(Br)cc1 ZINC000261918659 553162781 /nfs/dbraw/zinc/16/27/81/553162781.db2.gz YMGDFTNZLNQQQI-INIZCTEOSA-N 1 0 398.688 2.867 20 0 GFADRO Cc1ccc(S(=O)(=O)N(CC[NH3+])CCc2ccccc2)c(Br)c1 ZINC000261999242 553163973 /nfs/dbraw/zinc/16/39/73/553163973.db2.gz LCIMJRUHYRRMSU-UHFFFAOYSA-N 1 0 397.338 2.950 20 0 GFADRO O=S(=O)(c1ccc(F)cc1Br)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000261997844 553163976 /nfs/dbraw/zinc/16/39/76/553163976.db2.gz UTQSIMHYIPBRTP-AWEZNQCLSA-N 1 0 391.306 2.741 20 0 GFADRO O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1cc2c(s1)CCCCC2 ZINC000261981059 553164218 /nfs/dbraw/zinc/16/42/18/553164218.db2.gz MDASQBHXPZUKFV-OAHLLOKOSA-N 1 0 375.460 2.583 20 0 GFADRO O=S(=O)(c1ccc(F)cc1Br)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000261997847 553164296 /nfs/dbraw/zinc/16/42/96/553164296.db2.gz UTQSIMHYIPBRTP-CQSZACIVSA-N 1 0 391.306 2.741 20 0 GFADRO O=C(c1csc(-c2ccccc2Cl)n1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000262082529 553165315 /nfs/dbraw/zinc/16/53/15/553165315.db2.gz QQNVSROLSQGUSU-CYBMUJFWSA-N 1 0 376.913 2.583 20 0 GFADRO C[C@@H](Sc1cc(Cl)ccc1Cl)C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000262130633 553166479 /nfs/dbraw/zinc/16/64/79/553166479.db2.gz WTBNKIYFCDVKFX-OCCSQVGLSA-N 1 0 388.364 2.980 20 0 GFADRO O=C([C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000262188023 553166937 /nfs/dbraw/zinc/16/69/37/553166937.db2.gz TWRHUBJNQBRLMN-MAZHCROVSA-N 1 0 383.323 2.958 20 0 GFADRO CCCOc1ccc(Br)cc1CN1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000262190466 553167460 /nfs/dbraw/zinc/16/74/60/553167460.db2.gz YMFHQBMFDKMOPQ-KRWDZBQOSA-N 1 0 382.346 2.717 20 0 GFADRO O=S(=O)(NC[C@H]1[NH2+]CCc2ccccc21)c1cc(F)ccc1Br ZINC000262352646 553169699 /nfs/dbraw/zinc/16/96/99/553169699.db2.gz URRXUASNPHUQBT-OAHLLOKOSA-N 1 0 399.285 2.754 20 0 GFADRO O=C(NC1CC2CCC(C1)[NH2+]2)c1ccc(I)cc1Cl ZINC000262501061 553171761 /nfs/dbraw/zinc/17/17/61/553171761.db2.gz CGAGYEXSWLYCEL-ZACCUICWSA-N 1 0 390.652 2.957 20 0 GFADRO O=C(NCC[C@H]1CC[NH2+]C1)[C@@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl ZINC000262593939 553173063 /nfs/dbraw/zinc/17/30/63/553173063.db2.gz SUBJWXVTJMNXEF-WBMJQRKESA-N 1 0 384.307 2.714 20 0 GFADRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)c1ccc(Cl)c(I)c1 ZINC000262709077 553174237 /nfs/dbraw/zinc/17/42/37/553174237.db2.gz CCZLNJBJRHYPLT-QPUJVOFHSA-N 1 0 378.641 2.672 20 0 GFADRO C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)CCc1nc(-c2cc(Br)cs2)no1 ZINC000262735481 553174612 /nfs/dbraw/zinc/17/46/12/553174612.db2.gz CMKAYWBNATWTCS-VHSXEESVSA-N 1 0 399.314 2.702 20 0 GFADRO CN(Cc1cc(Br)ccc1F)C(=O)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000262718667 553174666 /nfs/dbraw/zinc/17/46/66/553174666.db2.gz HJWWQJSFKXYOFB-AWEZNQCLSA-N 1 0 395.276 2.981 20 0 GFADRO O=C(NC[C@H](O)c1cc(Cl)cc(Cl)c1)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000262713532 553174753 /nfs/dbraw/zinc/17/47/53/553174753.db2.gz GBDFRSJPJQDZPB-HOCLYGCPSA-N 1 0 383.279 2.578 20 0 GFADRO CCCN(C1CC[NH2+]CC1)S(=O)(=O)c1cccc(Br)c1F ZINC000262762309 553175047 /nfs/dbraw/zinc/17/50/47/553175047.db2.gz JXWGKXRNNVUOPD-UHFFFAOYSA-N 1 0 379.295 2.741 20 0 GFADRO C[C@@H]1[NH2+]CCN(S(=O)(=O)c2cc(Cl)c(Br)cc2F)[C@H]1C ZINC000262764664 553175275 /nfs/dbraw/zinc/17/52/75/553175275.db2.gz KJSXXNDDXZGNNE-YUMQZZPRSA-N 1 0 385.686 2.613 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)CCC[S@](=O)c2ccc(Br)cc2)CC[NH2+]1 ZINC000262859891 553177431 /nfs/dbraw/zinc/17/74/31/553177431.db2.gz LCUKTAGPWHAHKS-BWFKNJDFSA-N 1 0 387.343 2.594 20 0 GFADRO CCc1c(NC(=O)C[C@H](C[NH3+])OC)n[nH]c1-c1ccc(Br)cc1 ZINC000262913357 553178312 /nfs/dbraw/zinc/17/83/12/553178312.db2.gz QXMSVTSOSAFTDA-GFCCVEGCSA-N 1 0 381.274 2.704 20 0 GFADRO C[C@]1([NH3+])CCCC[C@@H]1C(=O)Nc1ncn(Cc2cccc(Br)c2)n1 ZINC000262907656 553178496 /nfs/dbraw/zinc/17/84/96/553178496.db2.gz FHWDOIZJYQCAQS-PBHICJAKSA-N 1 0 392.301 2.935 20 0 GFADRO C[C@@]1([NH3+])CCCC[C@H]1C(=O)NCc1cc(Br)c2c(c1)OCCO2 ZINC000263058750 553181412 /nfs/dbraw/zinc/18/14/12/553181412.db2.gz VDPQVOZULVDAKS-YVEFUNNKSA-N 1 0 383.286 2.744 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CNC(=O)[C@H]1CCCC[C@]1(C)[NH3+] ZINC000263314902 553185964 /nfs/dbraw/zinc/18/59/64/553185964.db2.gz ZINPRZOSKNYRKJ-DYVFJYSZSA-N 1 0 382.302 2.720 20 0 GFADRO COCC[NH+]1CCC(NC(=O)N[C@@H]2CCc3cc(Br)ccc32)CC1 ZINC000263665618 553190825 /nfs/dbraw/zinc/19/08/25/553190825.db2.gz AZGINQHDEKRBRK-QGZVFWFLSA-N 1 0 396.329 2.846 20 0 GFADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCC(C(=O)Nc2cccc(Br)c2)CC1 ZINC000263737352 553192503 /nfs/dbraw/zinc/19/25/03/553192503.db2.gz VBLONRAQQVPDQV-INIZCTEOSA-N 1 0 394.313 2.720 20 0 GFADRO C[C@@H](NC(=O)NCCSCCOc1cccc(Br)c1)[C@H](C)[NH3+] ZINC000417583766 563885063 /nfs/dbraw/zinc/88/50/63/563885063.db2.gz AESPFLZWOUXEPP-NWDGAFQWSA-N 1 0 390.347 2.596 20 0 GFADRO CCOc1cc(C[NH2+][C@@H]2CCN(CC(F)F)C2)cc(Br)c1O ZINC000418136835 563899817 /nfs/dbraw/zinc/89/98/17/563899817.db2.gz QSEBYNADZKQAKV-LLVKDONJSA-N 1 0 379.245 2.982 20 0 GFADRO C[C@@H]1CCN(C(=O)NCc2cc(F)c(F)cc2Br)[C@H](C[NH3+])C1 ZINC000418173351 563900822 /nfs/dbraw/zinc/90/08/22/563900822.db2.gz BSDYJMIKUZZTMW-KOLCDFICSA-N 1 0 376.245 2.996 20 0 GFADRO Cc1ccc(I)c(C(=O)NCC[N@H+]2CC=C(C)CC2)c1 ZINC000506662102 564208242 /nfs/dbraw/zinc/20/82/42/564208242.db2.gz KZXGFDXNWRCJOP-UHFFFAOYSA-N 1 0 384.261 2.981 20 0 GFADRO CN([C@H]1CC[N@@H+](C2CC2)C1)S(=O)(=O)Cc1ccc(Br)c(F)c1 ZINC000451189798 564285383 /nfs/dbraw/zinc/28/53/83/564285383.db2.gz PRDSQEPCWAZPSW-ZDUSSCGKSA-N 1 0 391.306 2.587 20 0 GFADRO [NH3+]CC[C@H]1CCCCN1S(=O)(=O)c1ccc(Br)c(Cl)c1 ZINC000567861727 564392823 /nfs/dbraw/zinc/39/28/23/564392823.db2.gz SGAJQWFJLYTILV-SNVBAGLBSA-N 1 0 381.723 2.995 20 0 GFADRO Ic1cnc(N2CCC(C[NH+]3CCCCC3)CC2)nc1 ZINC000545915601 564437161 /nfs/dbraw/zinc/43/71/61/564437161.db2.gz MVWCBHSSQYCNML-UHFFFAOYSA-N 1 0 386.281 2.784 20 0 GFADRO CC[N@H+](CCNC(=O)C(=O)Nc1cc(Cl)cc(Br)c1)C1CC1 ZINC000453637391 564461460 /nfs/dbraw/zinc/46/14/60/564461460.db2.gz BOHGEAHUTAWPOB-UHFFFAOYSA-N 1 0 388.693 2.642 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)c2ccc(Br)cc2Cl)CC12CCOCC2 ZINC000570570348 564512339 /nfs/dbraw/zinc/51/23/39/564512339.db2.gz VSXCUFQHWAQOBU-NSHDSACASA-N 1 0 387.705 2.930 20 0 GFADRO COCCN(Cc1sccc1Br)C(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000418573786 563219840 /nfs/dbraw/zinc/21/98/40/563219840.db2.gz LOUSHWMNPQGDCM-DGCLKSJQSA-N 1 0 390.347 2.667 20 0 GFADRO [NH3+]CC[C@@H]1CCCN(c2ncnc3cccc(I)c32)C1 ZINC000420239501 563260276 /nfs/dbraw/zinc/26/02/76/563260276.db2.gz ISCBXVMWMMTGMZ-NSHDSACASA-N 1 0 382.249 2.800 20 0 GFADRO O=C(Cc1ccc(I)cc1)NCc1cnc2n1CCCC2 ZINC000375391900 563402736 /nfs/dbraw/zinc/40/27/36/563402736.db2.gz OLYDZRMWRGHZMG-UHFFFAOYSA-N 1 0 395.244 2.683 20 0 GFADRO CSc1ccc([C@H](CNC(=O)C(=O)Nc2nc(C)cs2)[NH+](C)C)cc1 ZINC000294701565 563212911 /nfs/dbraw/zinc/21/29/11/563212911.db2.gz WDTDZJVOVIDUBM-AWEZNQCLSA-N 1 0 378.523 2.531 20 0 GFADRO C[NH2+][C@@H]1CCCN(C(=O)NCCc2c[nH]c3cccc(Br)c23)C1 ZINC000418200386 563213595 /nfs/dbraw/zinc/21/35/95/563213595.db2.gz PZSIXINANXUNAG-CYBMUJFWSA-N 1 0 379.302 2.866 20 0 GFADRO Cc1nn(C)cc1[C@@H](C)[NH2+][C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000277555154 563213648 /nfs/dbraw/zinc/21/36/48/563213648.db2.gz RGZOOMFKIGSZFB-BZNIZROVSA-N 1 0 377.286 2.947 20 0 GFADRO C[C@@H](NC(=O)NCc1nc2c(cccc2Br)[nH]1)[C@H]1CCC[NH2+]C1 ZINC000418269754 563215032 /nfs/dbraw/zinc/21/50/32/563215032.db2.gz QUAAZEODEBHEBD-MNOVXSKESA-N 1 0 380.290 2.513 20 0 GFADRO O=C(NC1CC[NH2+]CC1)N1CCC[C@@H]1c1ccccc1I ZINC000418314496 563215393 /nfs/dbraw/zinc/21/53/93/563215393.db2.gz XJENXWWZDGUYSR-OAHLLOKOSA-N 1 0 399.276 2.890 20 0 GFADRO COCCOC1(C[NH2+]Cc2ccc(OC)cc2Br)CCOCC1 ZINC000294746147 563215601 /nfs/dbraw/zinc/21/56/01/563215601.db2.gz HQUDAOFWPUCXJP-UHFFFAOYSA-N 1 0 388.302 2.760 20 0 GFADRO C[NH2+]C[C@H](C)CNC(=O)N(Cc1cccc(Br)c1)C1CCOCC1 ZINC000418385873 563216301 /nfs/dbraw/zinc/21/63/01/563216301.db2.gz KXVJYHICXAVKJE-AWEZNQCLSA-N 1 0 398.345 2.995 20 0 GFADRO O=C(c1ccc(Br)cc1F)N1CCC[N@@H+](C2CCOCC2)CC1 ZINC000369548524 563217257 /nfs/dbraw/zinc/21/72/57/563217257.db2.gz JHVNWUAKIOQRPO-UHFFFAOYSA-N 1 0 385.277 2.915 20 0 GFADRO CC(C)([NH3+])CNC(=O)N(CCc1ccc(Cl)cc1)C[C@H](O)C(F)(F)F ZINC000418418432 563217434 /nfs/dbraw/zinc/21/74/34/563217434.db2.gz WWHDDXFKKDUXME-ZDUSSCGKSA-N 1 0 381.826 2.555 20 0 GFADRO CC1CCN(c2ccc(CNC(=O)c3c(Br)cnn3C)cn2)CC1 ZINC000294820382 563217908 /nfs/dbraw/zinc/21/79/08/563217908.db2.gz KMTMUIYEAQRFBW-UHFFFAOYSA-N 1 0 392.301 2.744 20 0 GFADRO COCCN(Cc1ccc(Br)s1)C(=O)N[C@@H]1CCC[C@H]1C[NH3+] ZINC000418444713 563218007 /nfs/dbraw/zinc/21/80/07/563218007.db2.gz ATOJHLRZNIRHBL-WCQYABFASA-N 1 0 390.347 2.796 20 0 GFADRO C[C@H](C[NH3+])CNC(=O)N1CCC[C@H]1c1ccc(I)cc1 ZINC000418468786 563218137 /nfs/dbraw/zinc/21/81/37/563218137.db2.gz JOUCXMAJJWFAER-RISCZKNCSA-N 1 0 387.265 2.733 20 0 GFADRO C[C@H](C[NH3+])NC(=O)N1CCC[C@@H]1c1nc(-c2ccccc2Br)no1 ZINC000418514400 563219345 /nfs/dbraw/zinc/21/93/45/563219345.db2.gz OCXBPHVTVPORGL-ZWNOBZJWSA-N 1 0 394.273 2.693 20 0 GFADRO COCC[NH2+]CCNC(=O)N1CCC(c2ccc(Br)cc2)CC1 ZINC000418513224 563219608 /nfs/dbraw/zinc/21/96/08/563219608.db2.gz UYFSYAIVXCTUOU-UHFFFAOYSA-N 1 0 384.318 2.574 20 0 GFADRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000418582883 563219939 /nfs/dbraw/zinc/21/99/39/563219939.db2.gz AMMNVLCCIZMYAY-KCXAZCMYSA-N 1 0 382.302 2.530 20 0 GFADRO CN(C(=O)c1nn(C)cc1Br)C1CC[NH+](Cc2ccccc2)CC1 ZINC000294883023 563220157 /nfs/dbraw/zinc/22/01/57/563220157.db2.gz UUTJWVIQCGLWFY-UHFFFAOYSA-N 1 0 391.313 2.919 20 0 GFADRO C[NH+]1CCC(n2ccc(NC(=O)NCc3cccc(Br)c3)n2)CC1 ZINC000369671627 563221044 /nfs/dbraw/zinc/22/10/44/563221044.db2.gz UXMOAZHDJMMQMJ-UHFFFAOYSA-N 1 0 392.301 3.234 20 0 GFADRO C[C@@H](CNC(=O)c1ccc(I)cc1F)Cn1ccnc1 ZINC000294908509 563221779 /nfs/dbraw/zinc/22/17/79/563221779.db2.gz JUHJVAOMNSSNAU-JTQLQIEISA-N 1 0 387.196 2.693 20 0 GFADRO O[C@H](Cc1ccccc1)CN1CCC(O)(c2scnc2Br)CC1 ZINC000369705052 563221936 /nfs/dbraw/zinc/22/19/36/563221936.db2.gz UOYYVCBZPYQFEO-CQSZACIVSA-N 1 0 397.338 2.793 20 0 GFADRO Cn1ncc(Br)c1C(=O)N(CC[NH+](C)C)Cc1cccc(F)c1 ZINC000294934124 563222428 /nfs/dbraw/zinc/22/24/28/563222428.db2.gz URBQAHDXFHVVMN-UHFFFAOYSA-N 1 0 383.265 2.526 20 0 GFADRO [NH3+][C@@H]1CCC[C@H](CNC(=O)NC[C@H](O)COc2cccc(Cl)c2Cl)C1 ZINC000418711800 563222645 /nfs/dbraw/zinc/22/26/45/563222645.db2.gz GBAYBOPCANORKW-XQQFMLRXSA-N 1 0 390.311 2.550 20 0 GFADRO Cc1cc(Br)ccc1C(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000369765180 563224249 /nfs/dbraw/zinc/22/42/49/563224249.db2.gz FCAXBNDHMWJHQF-QAPCUYQASA-N 1 0 394.357 2.856 20 0 GFADRO C[C@H]1Cc2ccc(Br)cc2CN1C(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000418756751 563224477 /nfs/dbraw/zinc/22/44/77/563224477.db2.gz IVOUEKDARIAQGB-HZMBPMFUSA-N 1 0 388.256 2.903 20 0 GFADRO COCCN(Cc1ccc(F)c(Cl)c1)C(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000418756663 563224513 /nfs/dbraw/zinc/22/45/13/563224513.db2.gz YMLBTULXUDLOLO-CQSZACIVSA-N 1 0 379.810 2.634 20 0 GFADRO O=C(NCCC[C@@H]1CCC[NH2+]1)N(CCO)Cc1ccc(Br)s1 ZINC000418765963 563225004 /nfs/dbraw/zinc/22/50/04/563225004.db2.gz KFYJLFPXEKDIIV-LBPRGKRZSA-N 1 0 390.347 2.547 20 0 GFADRO Cc1sc(Br)nc1C(=O)Nc1cc(C(N)=O)ccc1C[NH+](C)C ZINC000277810052 563227332 /nfs/dbraw/zinc/22/73/32/563227332.db2.gz WFMGARMDRYIGPX-UHFFFAOYSA-N 1 0 397.298 2.627 20 0 GFADRO C[C@@H](NC(=O)C(=O)N1CC[C@@](C)(C[NH3+])C1)c1cc(F)c(Cl)cc1Cl ZINC000418833257 563227424 /nfs/dbraw/zinc/22/74/24/563227424.db2.gz IAIBQTKIEHBXMT-ABKXIKBNSA-N 1 0 376.259 2.507 20 0 GFADRO C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000369913219 563227965 /nfs/dbraw/zinc/22/79/65/563227965.db2.gz QKPBVWWTPWXIQK-HTTKSJEASA-N 1 0 384.307 2.698 20 0 GFADRO CC(C)[C@@H](CNC(=O)C(=O)N(C)[C@@H](C)C[NH3+])Cc1ccc(Cl)cc1Cl ZINC000418855643 563227916 /nfs/dbraw/zinc/22/79/16/563227916.db2.gz MYEPJOOAKYTEQB-GXTWGEPZSA-N 1 0 388.339 2.730 20 0 GFADRO C[C@H]1C[C@H](NC(=O)C(=O)N[C@H]2C[C@H](c3ccc(Cl)c(Cl)c3)C2)CC[NH2+]1 ZINC000418897354 563229308 /nfs/dbraw/zinc/22/93/08/563229308.db2.gz XEKFLHRUVLBXAS-DEQVHRJGSA-N 1 0 384.307 2.612 20 0 GFADRO Cn1cc([C@@H](NC(=O)NC[C@H](c2cccs2)[NH+](C)C)C(F)(F)F)cn1 ZINC000277878821 563229859 /nfs/dbraw/zinc/22/98/59/563229859.db2.gz BIKDASFOCMBLNL-DGCLKSJQSA-N 1 0 375.420 2.687 20 0 GFADRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2cc(OC)c(OC)cc2Br)C1 ZINC000295133974 563230250 /nfs/dbraw/zinc/23/02/50/563230250.db2.gz IIRDPIDTKQVPLZ-GFCCVEGCSA-N 1 0 385.302 2.880 20 0 GFADRO COC[C@@]1(C)CC[N@H+](CC(=O)N(C)Cc2cc(Br)cs2)C1 ZINC000295125864 563230476 /nfs/dbraw/zinc/23/04/76/563230476.db2.gz AFZFDNDAFDKIDS-HNNXBMFYSA-N 1 0 375.332 2.827 20 0 GFADRO C[C@@H](NC(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1cc(Cl)ccc1Cl ZINC000418951144 563231552 /nfs/dbraw/zinc/23/15/52/563231552.db2.gz HXRDQJJNKQPQEI-NRWUCQMLSA-N 1 0 384.307 2.675 20 0 GFADRO C[C@@H](NC(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1)c1ccc(Cl)cc1Cl ZINC000418951213 563231933 /nfs/dbraw/zinc/23/19/33/563231933.db2.gz IHOFVBKIEQXXSW-PSHZPRKYSA-N 1 0 384.307 2.756 20 0 GFADRO O=C(Cc1cc[nH]c(=O)c1Br)NC1CC[NH+](CC2CCCC2)CC1 ZINC000277922241 563232065 /nfs/dbraw/zinc/23/20/65/563232065.db2.gz FDUKMBHKJNSNEX-UHFFFAOYSA-N 1 0 396.329 2.863 20 0 GFADRO C[C@]1(CNC(=O)C(=O)NCCCc2ccc(Cl)cc2Cl)CCC[NH2+]C1 ZINC000419041106 563232423 /nfs/dbraw/zinc/23/24/23/563232423.db2.gz NFPCYLNQOIGAMY-SFHVURJKSA-N 1 0 386.323 2.548 20 0 GFADRO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)C(=O)NCCCc1ccc(Cl)cc1Cl ZINC000419036448 563232687 /nfs/dbraw/zinc/23/26/87/563232687.db2.gz GZNRTAYSVSNVDY-CJNGLKHVSA-N 1 0 386.323 2.676 20 0 GFADRO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1c1ccc(Br)c(C(F)(F)F)n1 ZINC000419010073 563232726 /nfs/dbraw/zinc/23/27/26/563232726.db2.gz YFKUJNQPVDGPEU-VHSXEESVSA-N 1 0 382.224 2.754 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)N[C@H]2CCc3c2ccc(Cl)c3Cl)C1 ZINC000419089278 563233285 /nfs/dbraw/zinc/23/32/85/563233285.db2.gz CPKBAZGBPKKAPC-PGUXBMHVSA-N 1 0 384.307 2.683 20 0 GFADRO C[NH2+]CC1CCN(C(=O)C(=O)N[C@@H]2CCc3c2ccc(Cl)c3Cl)CC1 ZINC000419095967 563233354 /nfs/dbraw/zinc/23/33/54/563233354.db2.gz LLOKZQJULAMJDF-OAHLLOKOSA-N 1 0 384.307 2.555 20 0 GFADRO C[N@@H+]1CC[C@H]2CCN(CC(=O)Nc3c(F)cc(F)cc3Br)C[C@H]21 ZINC000370150911 563234758 /nfs/dbraw/zinc/23/47/58/563234758.db2.gz NFLVPXCFIDQPAN-IINYFYTJSA-N 1 0 388.256 2.692 20 0 GFADRO O=C(c1ccc(Cl)c(I)c1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000370161639 563235546 /nfs/dbraw/zinc/23/55/46/563235546.db2.gz MYHMZRMEJYPWJT-TVQRCGJNSA-N 1 0 390.652 2.769 20 0 GFADRO [NH3+]C[C@@H](NC(=O)C(=O)N[C@H]1CCSc2ccc(Cl)cc21)C1CCCC1 ZINC000419216461 563235532 /nfs/dbraw/zinc/23/55/32/563235532.db2.gz NSYMQFMBYVTHKN-LSDHHAIUSA-N 1 0 381.929 2.627 20 0 GFADRO COC[C@]1(C(=O)OC)CC[N@H+](Cc2nc3cc(Br)ccc3o2)C1 ZINC000295232967 563236867 /nfs/dbraw/zinc/23/68/67/563236867.db2.gz XDQUUTRZMALWSD-INIZCTEOSA-N 1 0 383.242 2.602 20 0 GFADRO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1CC(=O)Nc1c(Cl)cc(Cl)cc1Cl ZINC000419339661 563237940 /nfs/dbraw/zinc/23/79/40/563237940.db2.gz MIVHNXYMJUMIPG-WDEREUQCSA-N 1 0 394.730 2.972 20 0 GFADRO CC(=O)N(Cc1ccsc1)[C@H]1CC12CCN(CC1N=NC(=O)S1)CC2 ZINC000370269261 563238449 /nfs/dbraw/zinc/23/84/49/563238449.db2.gz BSFDQZFZQSZEHE-AWEZNQCLSA-N 1 0 378.523 2.708 20 0 GFADRO O=C1CC[C@@H]([NH2+]CC2=Cc3cc(Br)ccc3OC2)[C@@H](C2CC2)N1 ZINC000370281319 563238814 /nfs/dbraw/zinc/23/88/14/563238814.db2.gz ZFQOEUQEJYDIOH-CRAIPNDOSA-N 1 0 377.282 2.872 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)NC[C@@H](C)c2c(Cl)cccc2Cl)C1 ZINC000419520429 563241240 /nfs/dbraw/zinc/24/12/40/563241240.db2.gz QGEQCRRHSXJPDD-AGIUHOORSA-N 1 0 386.323 2.799 20 0 GFADRO CC(C)[NH+]1CCN([C@H]2CCN(C(=O)c3cc(F)ccc3Br)C2)CC1 ZINC000370423399 563243525 /nfs/dbraw/zinc/24/35/25/563243525.db2.gz LCSAPOQCNZYHLQ-HNNXBMFYSA-N 1 0 398.320 2.829 20 0 GFADRO [NH3+][C@@H]1CN(C(=O)C(=O)NCc2cc(Cl)sc2Cl)C[C@H]1c1ccccc1 ZINC000419644569 563244734 /nfs/dbraw/zinc/24/47/34/563244734.db2.gz XNECJPWPOQQQPR-QWHCGFSZSA-N 1 0 398.315 2.624 20 0 GFADRO Cc1c(CNC(=O)C(=O)N[C@H]2CC[C@H](C[NH3+])C2)sc2ccc(Cl)cc12 ZINC000419705031 563246836 /nfs/dbraw/zinc/24/68/36/563246836.db2.gz IOMZSFCGGZYXNR-AAEUAGOBSA-N 1 0 379.913 2.723 20 0 GFADRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)NCC(C)(C)c1c(Cl)cccc1Cl ZINC000419700499 563246942 /nfs/dbraw/zinc/24/69/42/563246942.db2.gz XNMRNEKYZUKGQQ-FZMZJTMJSA-N 1 0 386.323 2.501 20 0 GFADRO Cc1c(CNC(=O)C(=O)N2CC[C@H]([NH3+])[C@H](C)C2)sc2ccc(Cl)cc12 ZINC000419718680 563248452 /nfs/dbraw/zinc/24/84/52/563248452.db2.gz WGNKMJFPLNVZKE-YGRLFVJLSA-N 1 0 379.913 2.675 20 0 GFADRO CC[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)N1C[C@H](C[NH3+])C[C@H]1C ZINC000419745951 563248664 /nfs/dbraw/zinc/24/86/64/563248664.db2.gz BFXMRHKCYPKWCT-TYNCELHUSA-N 1 0 386.323 2.626 20 0 GFADRO CC[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000419756890 563249433 /nfs/dbraw/zinc/24/94/33/563249433.db2.gz SXBVNQPBXNCGEN-LSDHHAIUSA-N 1 0 386.323 2.689 20 0 GFADRO CC[NH+](CC)[C@H](CNC(=O)c1cc2c(s1)CCS(=O)(=O)C2)CC(C)C ZINC000370582875 563249741 /nfs/dbraw/zinc/24/97/41/563249741.db2.gz KXROESLJMRTTBJ-HNNXBMFYSA-N 1 0 386.583 2.705 20 0 GFADRO COc1cccc(CC[NH2+]C2CCN(S(=O)(=O)c3cccs3)CC2)c1 ZINC000370671599 563251914 /nfs/dbraw/zinc/25/19/14/563251914.db2.gz VCZKTANHRRWDND-UHFFFAOYSA-N 1 0 380.535 2.742 20 0 GFADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)c1ccc(F)c(Br)c1 ZINC000278368172 563252509 /nfs/dbraw/zinc/25/25/09/563252509.db2.gz JRVSGAZWOWCQMO-GFCCVEGCSA-N 1 0 385.277 2.914 20 0 GFADRO O=C(NCCC[NH2+]C1CCCCC1)c1ccc(I)cn1 ZINC000419893800 563252600 /nfs/dbraw/zinc/25/26/00/563252600.db2.gz MSGBMDQKEGTXTQ-UHFFFAOYSA-N 1 0 387.265 2.728 20 0 GFADRO CC(C)CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000419892724 563252653 /nfs/dbraw/zinc/25/26/53/563252653.db2.gz URUZWOVLWLTCPB-CQSZACIVSA-N 1 0 386.323 2.846 20 0 GFADRO C[NH+](C)CC[C@](C)(O)CNC(=O)c1cc(Cl)cc(F)c1Br ZINC000419969611 563254695 /nfs/dbraw/zinc/25/46/95/563254695.db2.gz AEVUYRWGJHODNK-AWEZNQCLSA-N 1 0 381.673 2.674 20 0 GFADRO C[NH+](C)CC[C@@](C)(O)CNC(=O)CCCC(=O)c1ccc(Br)cc1 ZINC000419995874 563255884 /nfs/dbraw/zinc/25/58/84/563255884.db2.gz KMVCGBLMNHLPND-GOSISDBHSA-N 1 0 399.329 2.621 20 0 GFADRO Cc1cc(Br)cc2c(C(=O)NC[C@@](C)(O)CC[NH+](C)C)coc21 ZINC000420022999 563256701 /nfs/dbraw/zinc/25/67/01/563256701.db2.gz WZJMKRZMRNVXBI-KRWDZBQOSA-N 1 0 383.286 2.936 20 0 GFADRO CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000420028438 563256719 /nfs/dbraw/zinc/25/67/19/563256719.db2.gz DGYZQMQXTCZYLH-CJNGLKHVSA-N 1 0 386.323 2.976 20 0 GFADRO COc1ccc(C[NH2+][C@@H]2CCCN(c3ccnn3C)C2)c(Br)c1O ZINC000278463724 563257465 /nfs/dbraw/zinc/25/74/65/563257465.db2.gz FNKCEUUBSQHSMS-CYBMUJFWSA-N 1 0 395.301 2.655 20 0 GFADRO Cc1[nH]c2ccc(Br)cc2c1CC(=O)NC[C@](C)(O)CC[NH+](C)C ZINC000420045975 563257541 /nfs/dbraw/zinc/25/75/41/563257541.db2.gz QZKYXYPLHBWDDA-GOSISDBHSA-N 1 0 396.329 2.600 20 0 GFADRO Cc1cc(Br)oc1C(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000370836836 563257658 /nfs/dbraw/zinc/25/76/58/563257658.db2.gz BQZJWHWDMVFAPJ-AWEZNQCLSA-N 1 0 384.318 2.591 20 0 GFADRO Cc1cc(Br)ccc1C(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000370830534 563257690 /nfs/dbraw/zinc/25/76/90/563257690.db2.gz NQFPSCZKKRSMOL-KRWDZBQOSA-N 1 0 394.357 2.998 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCc3cc(Cl)cc(Cl)c3[C@H]2C)CC[NH2+]1 ZINC000420114448 563258723 /nfs/dbraw/zinc/25/87/23/563258723.db2.gz FUMCMTFGTVQKHL-GYSYKLTISA-N 1 0 384.307 2.696 20 0 GFADRO CCCC[C@H](C[NH3+])NC(=O)C(=O)N(C)[C@@H](C)c1ccccc1Br ZINC000420119225 563258880 /nfs/dbraw/zinc/25/88/80/563258880.db2.gz NHDLBMBNIMNHEJ-QWHCGFSZSA-N 1 0 384.318 2.602 20 0 GFADRO Cn1cc([C@H]2[C@@H](CNC(=O)c3cc(Cl)c(Cl)n3C)CCC[N@@H+]2C)cn1 ZINC000370919854 563259879 /nfs/dbraw/zinc/25/98/79/563259879.db2.gz YIEAYKOLNDTSJX-IAQYHMDHSA-N 1 0 384.311 2.878 20 0 GFADRO [NH3+]CC[C@H]1CCCN(c2ncnc3cccc(I)c32)C1 ZINC000420239499 563260374 /nfs/dbraw/zinc/26/03/74/563260374.db2.gz ISCBXVMWMMTGMZ-LLVKDONJSA-N 1 0 382.249 2.800 20 0 GFADRO Cc1cn2c(n1)[C@@H](CNS(=O)(=O)c1cnc(Cl)c(Cl)c1)CCC2 ZINC000370952565 563260730 /nfs/dbraw/zinc/26/07/30/563260730.db2.gz GQOVKEFITCAUAN-SNVBAGLBSA-N 1 0 375.281 2.749 20 0 GFADRO COc1ccccc1N1CCC([NH2+]Cc2c(Br)cnn2C)CC1 ZINC000278571795 563261853 /nfs/dbraw/zinc/26/18/53/563261853.db2.gz XLFUODFSRQJAIW-UHFFFAOYSA-N 1 0 379.302 2.950 20 0 GFADRO NC(=O)[C@@H](c1ccc(Br)cc1F)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000420337619 563262202 /nfs/dbraw/zinc/26/22/02/563262202.db2.gz ODJKOVVLEAFMAJ-JKSUJKDBSA-N 1 0 384.293 2.579 20 0 GFADRO O=C(CN1CCC[C@@]2(CC[NH2+]C2)C1)Nc1c(F)cc(F)cc1Br ZINC000420375456 563262917 /nfs/dbraw/zinc/26/29/17/563262917.db2.gz OHZPLKVNTBJUQS-INIZCTEOSA-N 1 0 388.256 2.741 20 0 GFADRO [NH3+][C@@H]1CN(CC(=O)Nc2ccccc2Br)C[C@H]1c1cccc(F)c1 ZINC000420387196 563262943 /nfs/dbraw/zinc/26/29/43/563262943.db2.gz JZICJUXTVJZAFJ-GOEBONIOSA-N 1 0 392.272 2.953 20 0 GFADRO C[C@@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)N1CCCO[C@H](C[NH3+])C1 ZINC000420381468 563263150 /nfs/dbraw/zinc/26/31/50/563263150.db2.gz CTWFWJSOJLYARA-CMPLNLGQSA-N 1 0 379.810 2.735 20 0 GFADRO [NH3+]C[C@H]1CC[C@@H](NS(=O)(=O)Cc2ccc(Cl)cc2Br)C1 ZINC000420452924 563263607 /nfs/dbraw/zinc/26/36/07/563263607.db2.gz JLHLRRGGQXMGJE-JOYOIKCWSA-N 1 0 381.723 2.649 20 0 GFADRO NC(=O)[C@@H](c1cccc(Br)c1)N1CCC2(CCC(O)CC2)CC1 ZINC000295813578 563264024 /nfs/dbraw/zinc/26/40/24/563264024.db2.gz XEFURWPPEDPBMC-MRXNPFEDSA-N 1 0 381.314 2.993 20 0 GFADRO O=S(=O)(c1cccc(Br)c1F)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420466818 563264377 /nfs/dbraw/zinc/26/43/77/563264377.db2.gz RODRYGMUXIKRQO-DGCLKSJQSA-N 1 0 391.306 2.741 20 0 GFADRO COc1c(Cl)cc(Cl)cc1C[NH2+]C[C@@H]1CCC[C@@]12NC(=O)N(C)C2=O ZINC000371083917 563264409 /nfs/dbraw/zinc/26/44/09/563264409.db2.gz FCQGWFOBOQDIES-APPDUMDISA-N 1 0 386.279 2.812 20 0 GFADRO Cc1ccc(S(=O)(=O)N2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc1Br ZINC000420469926 563265013 /nfs/dbraw/zinc/26/50/13/563265013.db2.gz WEXPGLXVNVKPRQ-BBRMVZONSA-N 1 0 387.343 2.910 20 0 GFADRO O=S(=O)(c1ccc(F)c(Br)c1)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420471640 563265179 /nfs/dbraw/zinc/26/51/79/563265179.db2.gz YICYMLDFZQFSAW-ABAIWWIYSA-N 1 0 391.306 2.741 20 0 GFADRO CN(C)c1ncc(C[NH2+][C@H]2CCN(c3cccc(Br)c3)C2)cn1 ZINC000278691199 563267038 /nfs/dbraw/zinc/26/70/38/563267038.db2.gz IVEHWNULXSCQLO-HNNXBMFYSA-N 1 0 376.302 2.674 20 0 GFADRO FC(F)(F)Cn1ccnc1CNc1nnc2ccc(Br)cn21 ZINC000295933535 563268491 /nfs/dbraw/zinc/26/84/91/563268491.db2.gz KKUBFRRVHPZSCF-UHFFFAOYSA-N 1 0 375.152 2.863 20 0 GFADRO O=C(c1cc(Br)c2c(c1)OCCO2)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000371234054 563269198 /nfs/dbraw/zinc/26/91/98/563269198.db2.gz BOJGLBKKPZZXNV-WFASDCNBSA-N 1 0 395.297 2.825 20 0 GFADRO COCCO[C@@H]1C[C@@H](CO)C[N@H+](C[C@@H](C)c2cccc(Br)c2)C1 ZINC000278763283 563269648 /nfs/dbraw/zinc/26/96/48/563269648.db2.gz UAWHGLOJDZFWFE-IIDMSEBBSA-N 1 0 386.330 2.898 20 0 GFADRO C[C@@H](CNS(=O)(=O)c1cc(F)ccc1OC(F)F)C[NH+]1CCCCC1 ZINC000420664525 563271663 /nfs/dbraw/zinc/27/16/63/563271663.db2.gz QRHUHTWHZSONSS-LBPRGKRZSA-N 1 0 380.432 2.827 20 0 GFADRO Cc1c(Br)cccc1C[NH+]1CCC([C@@]2(C)NC(=O)NC2=O)CC1 ZINC000371290209 563271913 /nfs/dbraw/zinc/27/19/13/563271913.db2.gz AKAZQEFFKRJOKX-QGZVFWFLSA-N 1 0 380.286 2.568 20 0 GFADRO C[C@]1(C[C@@H]2CCC[N@@H+]2Cc2cccc(Br)c2F)NC(=O)NC1=O ZINC000296054711 563272743 /nfs/dbraw/zinc/27/27/43/563272743.db2.gz OXJLSCKQDVSNKW-MEDUHNTESA-N 1 0 384.249 2.541 20 0 GFADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)Cc1ccccc1Br ZINC000278849559 563273525 /nfs/dbraw/zinc/27/35/25/563273525.db2.gz LVUOPVATBYAURP-AWEZNQCLSA-N 1 0 381.314 2.703 20 0 GFADRO CNS(=O)(=O)c1ccc(NC[C@@H]2CC[N@H+](C)[C@H]2c2cccs2)c(F)c1 ZINC000371357178 563274106 /nfs/dbraw/zinc/27/41/06/563274106.db2.gz HHIFGPLGTLBUBJ-YVEFUNNKSA-N 1 0 383.514 2.900 20 0 GFADRO C[C@@H]1CN(CCOc2ccccc2Br)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000371366416 563274949 /nfs/dbraw/zinc/27/49/49/563274949.db2.gz LTMYJXFJUQFIOD-AEFFLSMTSA-N 1 0 396.373 2.786 20 0 GFADRO C[C@H](Cc1ccc(Br)cc1)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000371370834 563275326 /nfs/dbraw/zinc/27/53/26/563275326.db2.gz ZEDZYFDSSBRLOB-KBRIMQKVSA-N 1 0 381.314 2.607 20 0 GFADRO C[N@H+](CCCNC(=O)Cc1cc[nH]c(=O)c1Br)Cc1ccccc1 ZINC000279040492 563281903 /nfs/dbraw/zinc/28/19/03/563281903.db2.gz LLRKIRMVZXWPFC-UHFFFAOYSA-N 1 0 392.297 2.731 20 0 GFADRO O=C(Nc1ccc(F)cc1Br)C(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000296354087 563284424 /nfs/dbraw/zinc/28/44/24/563284424.db2.gz ZVXNJGBACKVYQV-UHFFFAOYSA-N 1 0 398.276 2.660 20 0 GFADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC000296369296 563285368 /nfs/dbraw/zinc/28/53/68/563285368.db2.gz SNNMOWGYNVCVPQ-YVEFUNNKSA-N 1 0 387.307 2.739 20 0 GFADRO Cc1nc(SC(F)(F)F)sc1CC(=O)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000296375484 563285388 /nfs/dbraw/zinc/28/53/88/563285388.db2.gz HHOGMMPIBXKXAC-LLVKDONJSA-N 1 0 397.488 2.569 20 0 GFADRO C[C@@H](NC(=O)C(=O)NC1CCC([NH+](C)C)CC1)c1ccc(Br)cc1 ZINC000420803806 563286136 /nfs/dbraw/zinc/28/61/36/563286136.db2.gz UDXAIKBFDFRIPQ-UWTIGNOOSA-N 1 0 396.329 2.615 20 0 GFADRO C[NH+](C)C1CCC(NC(=O)NCCOc2cccc(Br)c2)CC1 ZINC000420789174 563286315 /nfs/dbraw/zinc/28/63/15/563286315.db2.gz XSFNUGMJXQDDLK-UHFFFAOYSA-N 1 0 384.318 3.000 20 0 GFADRO CN(Cc1cc(Br)cs1)C(=O)C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000296489399 563289289 /nfs/dbraw/zinc/28/92/89/563289289.db2.gz YSKFAFVHORDFCE-YUELXQCFSA-N 1 0 387.343 2.872 20 0 GFADRO CS(=O)(=O)c1cccc(Cl)c1C[NH2+]C[C@H]1CC(=O)Nc2ccccc21 ZINC000371887634 563290208 /nfs/dbraw/zinc/29/02/08/563290208.db2.gz IFDXCZIYLXMPFO-GFCCVEGCSA-N 1 0 378.881 2.959 20 0 GFADRO CCN(C)C(=O)[C@@H]([NH2+][C@@H](C)c1ccc(S(=O)(=O)C(F)F)cc1)C(C)C ZINC000296526885 563290662 /nfs/dbraw/zinc/29/06/62/563290662.db2.gz QGDGAUYBBVQXMB-WFASDCNBSA-N 1 0 376.469 2.836 20 0 GFADRO C[C@H]([NH2+]C1CCN(Cc2cscn2)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000371978172 563292682 /nfs/dbraw/zinc/29/26/82/563292682.db2.gz JAXGVTAUYARWLH-AWEZNQCLSA-N 1 0 379.551 2.862 20 0 GFADRO COC1([C@H](C)[NH2+]C[C@@H](O)COc2c(Cl)cccc2Cl)CCOCC1 ZINC000421027221 563293150 /nfs/dbraw/zinc/29/31/50/563293150.db2.gz GLXPBCDGZBJCEW-QWHCGFSZSA-N 1 0 378.296 2.907 20 0 GFADRO Cc1cc(Br)c(C[NH2+]CC2(C(N)=O)CCOCC2)cc1Cl ZINC000296614917 563294459 /nfs/dbraw/zinc/29/44/59/563294459.db2.gz ZJYQNESDWZSPSM-UHFFFAOYSA-N 1 0 375.694 2.783 20 0 GFADRO COC(=O)c1cc(NC(=O)N(C)C[C@@H]2CCC[N@@H+]2C)ccc1Br ZINC000421096150 563295633 /nfs/dbraw/zinc/29/56/33/563295633.db2.gz VQQXTACCSGPPDV-LBPRGKRZSA-N 1 0 384.274 2.794 20 0 GFADRO [NH3+][C@@H]1CN(S(=O)(=O)c2cnc(Cl)c(Cl)c2)C[C@H]1c1ccc(F)cc1 ZINC000372179806 563297877 /nfs/dbraw/zinc/29/78/77/563297877.db2.gz ORICBIXGLLIVOJ-GXTWGEPZSA-N 1 0 390.267 2.643 20 0 GFADRO [NH3+][C@@H]1CN(S(=O)(=O)c2cnc3ccsc3c2)C[C@@H]1c1ccc(F)cc1 ZINC000372179518 563297891 /nfs/dbraw/zinc/29/78/91/563297891.db2.gz NYUPNAFVDPCNBQ-HUUCEWRRSA-N 1 0 377.466 2.551 20 0 GFADRO O=S(=O)(C(F)F)N1CCC(C[NH2+][C@@H]2CCCc3nc(Cl)ccc32)CC1 ZINC000296804537 563302217 /nfs/dbraw/zinc/30/22/17/563302217.db2.gz LQTLCEMPNBBDBQ-CYBMUJFWSA-N 1 0 393.887 2.966 20 0 GFADRO Cc1cc(NC(=O)C[N@@H+]2CCCC[C@@H]2[C@@H]2CNC(=O)C2)ccc1Br ZINC000372337681 563302283 /nfs/dbraw/zinc/30/22/83/563302283.db2.gz DUUYYTFDVHFNPN-XJKSGUPXSA-N 1 0 394.313 2.687 20 0 GFADRO C[N@@H+]1CC[C@H](CNC(=O)Nc2ccn(-c3ccc(Br)cc3)n2)C1 ZINC000296800412 563302370 /nfs/dbraw/zinc/30/23/70/563302370.db2.gz HLFPQURWEFVNMT-GFCCVEGCSA-N 1 0 378.274 2.708 20 0 GFADRO CC(C)[NH+]1CCC(O)(CNC(=O)c2ccc(OC(F)(F)Cl)cc2)CC1 ZINC000279649131 563304789 /nfs/dbraw/zinc/30/47/89/563304789.db2.gz BGVYKMKLXLVANF-UHFFFAOYSA-N 1 0 376.831 2.820 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)NC2CCC([NH+](C)C)CC2)c(Br)c1 ZINC000421288529 563305146 /nfs/dbraw/zinc/30/51/46/563305146.db2.gz MJBZWOCEFAQAIX-UHFFFAOYSA-N 1 0 396.329 2.993 20 0 GFADRO Cc1ccc(NC(=O)C(=O)NC2CCC([NH+](C)C)CC2)c(Br)c1 ZINC000421289130 563305182 /nfs/dbraw/zinc/30/51/82/563305182.db2.gz OIFDTFQZNDMLAL-UHFFFAOYSA-N 1 0 382.302 2.685 20 0 GFADRO Cc1nc2ccc(Br)cn2c1C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000279725053 563308080 /nfs/dbraw/zinc/30/80/80/563308080.db2.gz CBYDOYQHGCTHRK-ZFWWWQNUSA-N 1 0 391.313 2.962 20 0 GFADRO COC(=O)C[C@H](NC(=O)C[C@@H]1CCC[NH2+]CC1)c1cccc(Br)c1 ZINC000372498642 563308429 /nfs/dbraw/zinc/30/84/29/563308429.db2.gz WWDRIIGHWSKNAP-CJNGLKHVSA-N 1 0 397.313 2.949 20 0 GFADRO C[C@H](CCc1ccc(I)cc1)[NH2+]CC1(CC(N)=O)CC1 ZINC000421351764 563308512 /nfs/dbraw/zinc/30/85/12/563308512.db2.gz OWTWOMIIZRFIMH-GFCCVEGCSA-N 1 0 386.277 2.858 20 0 GFADRO CNC(=O)[C@H]1CC[N@H+](Cc2ccc(OC(F)(F)F)c(Br)c2)C1 ZINC000421394468 563309713 /nfs/dbraw/zinc/30/97/13/563309713.db2.gz SZKVXWLXBAENKL-JTQLQIEISA-N 1 0 381.192 2.916 20 0 GFADRO Cc1ccc(CCC(=O)N2CCC[N@H+](CC(C)(C)O)CC2)c(Br)c1 ZINC000372554215 563310007 /nfs/dbraw/zinc/31/00/07/563310007.db2.gz OTNJTMXPJCEHGG-UHFFFAOYSA-N 1 0 397.357 2.995 20 0 GFADRO CCOc1cc(C[NH2+][C@@H](CO)COC)cc(Br)c1OC(F)F ZINC000279794751 563311187 /nfs/dbraw/zinc/31/11/87/563311187.db2.gz MTGVWVQPLZLSCO-JTQLQIEISA-N 1 0 384.217 2.546 20 0 GFADRO CCO[C@@H](CC[NH+](C)C)CNC(=O)N[C@H](c1nc(C)cs1)C(F)(F)F ZINC000297112340 563316004 /nfs/dbraw/zinc/31/60/04/563316004.db2.gz QNJXOMBHGBTKGD-NWDGAFQWSA-N 1 0 382.452 2.711 20 0 GFADRO CCO[C@H](CC[NH+](C)C)CNC(=O)N[C@@H](c1nc(C)cs1)C(F)(F)F ZINC000297112339 563316077 /nfs/dbraw/zinc/31/60/77/563316077.db2.gz QNJXOMBHGBTKGD-NEPJUHHUSA-N 1 0 382.452 2.711 20 0 GFADRO C[NH+](C)CCn1nccc1NC(=O)NC[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000297157702 563318366 /nfs/dbraw/zinc/31/83/66/563318366.db2.gz GPPXFKPTDNSPRF-CQSZACIVSA-N 1 0 386.283 2.607 20 0 GFADRO Cc1c(C(=O)N(C)C[C@H]2CCC[N@@H+]2C)nnn1-c1cccc(Br)c1 ZINC000421703717 563319228 /nfs/dbraw/zinc/31/92/28/563319228.db2.gz MVLWJOUQQBTZTI-OAHLLOKOSA-N 1 0 392.301 2.504 20 0 GFADRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)c1ccccc1-n1cc(Br)cn1 ZINC000421711078 563319379 /nfs/dbraw/zinc/31/93/79/563319379.db2.gz NQOQKYWWRWOAHY-AWEZNQCLSA-N 1 0 377.286 2.801 20 0 GFADRO Cc1ncc(C(=O)N2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)c(Cl)c1Cl ZINC000372854328 563319498 /nfs/dbraw/zinc/31/94/98/563319498.db2.gz DAMMZQURPZKGFG-SWLSCSKDSA-N 1 0 385.339 2.795 20 0 GFADRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)c1cc(=O)[nH]c2ccc(Br)cc21 ZINC000421699619 563319924 /nfs/dbraw/zinc/31/99/24/563319924.db2.gz BLMRNHHGRUBMIM-GFCCVEGCSA-N 1 0 378.270 2.869 20 0 GFADRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)c1cc(F)c(F)cc1I ZINC000421715180 563320404 /nfs/dbraw/zinc/32/04/04/563320404.db2.gz XIOOKRIQUCMKOP-VIFPVBQESA-N 1 0 394.203 2.736 20 0 GFADRO CCn1ccnc1CNC(=O)[C@]12CCC(=O)N1c1cc(Cl)ccc1S2 ZINC000297225612 563320432 /nfs/dbraw/zinc/32/04/32/563320432.db2.gz OAUQEFGZSJNCBK-QGZVFWFLSA-N 1 0 376.869 2.802 20 0 GFADRO O=C(NC1CC[NH+](C2CCC2)CC1)c1cn2ccc(Br)cc2n1 ZINC000297261172 563321732 /nfs/dbraw/zinc/32/17/32/563321732.db2.gz UVHNEAVDQBFXRB-UHFFFAOYSA-N 1 0 377.286 2.844 20 0 GFADRO O=C(c1ccc(I)cc1Cl)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000372928298 563323043 /nfs/dbraw/zinc/32/30/43/563323043.db2.gz ZSUIIRZOBHAXFO-TVQRCGJNSA-N 1 0 390.652 2.769 20 0 GFADRO C[NH+]1CCC2(CCCN(C(=O)C(=O)Nc3ccccc3Br)C2)CC1 ZINC000373000727 563325053 /nfs/dbraw/zinc/32/50/53/563325053.db2.gz NUECYFOZPXNEDT-UHFFFAOYSA-N 1 0 394.313 2.722 20 0 GFADRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)Nc1nc2cc(Br)ccn2n1 ZINC000297379736 563325676 /nfs/dbraw/zinc/32/56/76/563325676.db2.gz VOCWAFIOEOCMFQ-AAEUAGOBSA-N 1 0 393.289 2.582 20 0 GFADRO C[C@H]1CCN(C(=O)NCC2CC[NH+](Cc3cccs3)CC2)CC[S@@]1=O ZINC000297389046 563325775 /nfs/dbraw/zinc/32/57/75/563325775.db2.gz WUYZUDHMOPNOGY-MQNRADLISA-N 1 0 383.583 2.513 20 0 GFADRO O=C(c1ccc(I)c(Cl)c1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000373056644 563327214 /nfs/dbraw/zinc/32/72/14/563327214.db2.gz MAACJJCNSZVKSN-TVQRCGJNSA-N 1 0 390.652 2.769 20 0 GFADRO O=C(c1cc(Cl)ccc1I)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000373052777 563327376 /nfs/dbraw/zinc/32/73/76/563327376.db2.gz CVNUQNKDSIMLSS-TVQRCGJNSA-N 1 0 390.652 2.769 20 0 GFADRO O=C(c1cc(=O)[nH]c2c(Br)cccc12)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000373065367 563327838 /nfs/dbraw/zinc/32/78/38/563327838.db2.gz GJLDGYHGFWTYRQ-QMTHXVAHSA-N 1 0 376.254 2.527 20 0 GFADRO COc1cc(Br)c(C[NH2+][C@@H]2CCO[C@@]3(CCOC3)C2)c(OC)c1 ZINC000373153195 563330390 /nfs/dbraw/zinc/33/03/90/563330390.db2.gz LTCKGUIYYKNGOX-PXAZEXFGSA-N 1 0 386.286 2.894 20 0 GFADRO O=C(NCCCC[NH+]1CCOCC1)N1CCc2c1cccc2Br ZINC000422149364 563331848 /nfs/dbraw/zinc/33/18/48/563331848.db2.gz OFHPLIBRBBVVRC-UHFFFAOYSA-N 1 0 382.302 2.634 20 0 GFADRO C[NH+]1CCC(n2ccc(NC(=O)CCc3ccccc3Br)n2)CC1 ZINC000373240142 563332590 /nfs/dbraw/zinc/33/25/90/563332590.db2.gz CANXLXMNWFIUTH-UHFFFAOYSA-N 1 0 391.313 3.484 20 0 GFADRO COc1cc(Br)ccc1CNc1ccn(C2CC[NH+](C)CC2)n1 ZINC000373262670 563333102 /nfs/dbraw/zinc/33/31/02/563333102.db2.gz ZBEMNPBEQMAEQB-UHFFFAOYSA-N 1 0 379.302 3.533 20 0 GFADRO C[N@@H+]1CCN(CCNC(=O)N2CCc3c2cccc3Br)CC1(C)C ZINC000422215037 563333635 /nfs/dbraw/zinc/33/36/35/563333635.db2.gz XWGMDDOOZIZMGY-UHFFFAOYSA-N 1 0 395.345 2.547 20 0 GFADRO O=C(N[C@H]1CCN(c2ccccn2)C1)c1cnc(Cl)c(Br)c1 ZINC000297799787 563336294 /nfs/dbraw/zinc/33/62/94/563336294.db2.gz NGTNHXQTGNLQJB-NSHDSACASA-N 1 0 381.661 2.901 20 0 GFADRO CC[C@H](C)[C@@H](NC(=O)C(=O)NC[C@H](c1cccs1)[NH+](C)C)C(F)(F)F ZINC000297817797 563336493 /nfs/dbraw/zinc/33/64/93/563336493.db2.gz IXHBTKFIESIHHY-DMDPSCGWSA-N 1 0 379.448 2.560 20 0 GFADRO O=C(C[NH2+][C@H](c1cccc(Br)c1)C1CCOCC1)NCC(F)F ZINC000280447469 563338066 /nfs/dbraw/zinc/33/80/66/563338066.db2.gz DCIWBEQNZHHTAK-INIZCTEOSA-N 1 0 391.256 2.888 20 0 GFADRO O=C(c1ccoc1)N1CCC([NH2+]CCCCn2cc(Br)cn2)CC1 ZINC000280517771 563341241 /nfs/dbraw/zinc/34/12/41/563341241.db2.gz HJBFMZOIDRXHGX-UHFFFAOYSA-N 1 0 395.301 2.913 20 0 GFADRO COc1ccc(S(=O)(=O)N2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)c(Cl)c1Cl ZINC000422553548 563342729 /nfs/dbraw/zinc/34/27/29/563342729.db2.gz KCZYAVSDMXEJQU-VWYCJHECSA-N 1 0 381.325 2.996 20 0 GFADRO O=C(Cc1ccc(F)cc1Br)NC[C@@H]1CCC[C@@H]1[NH+]1CCOCC1 ZINC000373596213 563343262 /nfs/dbraw/zinc/34/32/62/563343262.db2.gz KRQPRCROSIOYIK-YOEHRIQHSA-N 1 0 399.304 2.748 20 0 GFADRO CC(C)(CC[NH3+])NC(=O)NCCCOc1ncc(C(F)(F)F)cc1Cl ZINC000422610406 563344550 /nfs/dbraw/zinc/34/45/50/563344550.db2.gz XYZAQFFFGMRETJ-UHFFFAOYSA-N 1 0 382.814 2.949 20 0 GFADRO O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)[C@H]1CCN(CC(F)(F)F)C1 ZINC000280589056 563345281 /nfs/dbraw/zinc/34/52/81/563345281.db2.gz DTCNILKQNIPZQK-KBPBESRZSA-N 1 0 375.460 2.885 20 0 GFADRO C[C@@H]1CC[N@H+](CC(=O)N2CCc3sccc3[C@@H]2c2cccs2)[C@@H]1CO ZINC000373655262 563345717 /nfs/dbraw/zinc/34/57/17/563345717.db2.gz WLOAAISFBYENPG-ZXYWRSMDSA-N 1 0 376.547 2.986 20 0 GFADRO C[C@@H]1C[N@H+](CCC(=O)Nc2ccccc2Br)C[C@]2(CCOC2)O1 ZINC000280603494 563345749 /nfs/dbraw/zinc/34/57/49/563345749.db2.gz VJDCTCFSAFCZCF-DYVFJYSZSA-N 1 0 383.286 2.658 20 0 GFADRO CC[C@@H](NCCc1ccc(S(=O)(=O)N2CCCCC2)s1)[C@@H]1CCC[NH2+]1 ZINC000422782312 563349834 /nfs/dbraw/zinc/34/98/34/563349834.db2.gz GHDCNBFSCOXQKA-SJORKVTESA-N 1 0 385.599 2.585 20 0 GFADRO CC1=C(Br)CN(C(=O)NC[C@@H]2CCC[C@H]2[NH+]2CCOCC2)CC1 ZINC000373771334 563350238 /nfs/dbraw/zinc/35/02/38/563350238.db2.gz MFMAQYLJBONQAQ-GOEBONIOSA-N 1 0 386.334 2.572 20 0 GFADRO COc1cc(Br)c(C[NH2+]CC2([S@](C)=O)CCC2)c(OC)c1 ZINC000280711997 563351193 /nfs/dbraw/zinc/35/11/93/563351193.db2.gz UEFLCRMILSYLTH-NRFANRHFSA-N 1 0 376.316 2.857 20 0 GFADRO Brc1ccc(N2CC[C@H](C[NH2+][C@@H](C3CC3)[C@@H]3CNCCO3)C2)cc1 ZINC000422950714 563351366 /nfs/dbraw/zinc/35/13/66/563351366.db2.gz WONTVTWSVDUQHQ-CCKFTAQKSA-N 1 0 394.357 2.632 20 0 GFADRO [NH3+][C@@H]1C[C@@H](NC[C@H](O)COc2ccccc2Br)c2ccccc21 ZINC000422938457 563351468 /nfs/dbraw/zinc/35/14/68/563351468.db2.gz KXCYQCRXUXPIRL-JCURWCKSSA-N 1 0 377.282 2.923 20 0 GFADRO [NH3+]CCCn1cc(C(=O)Nc2ncc(Cc3cccc(Cl)c3)s2)nn1 ZINC000422958302 563351662 /nfs/dbraw/zinc/35/16/62/563351662.db2.gz PCYLDURWWMCSAB-UHFFFAOYSA-N 1 0 376.873 2.580 20 0 GFADRO C[C@@H]1CC[NH2+][C@@H](C(=O)N2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)C1 ZINC000422964409 563352688 /nfs/dbraw/zinc/35/26/88/563352688.db2.gz LMQQUNURBHLQJF-MLGOLLRUSA-N 1 0 384.307 2.666 20 0 GFADRO O=C(NCCCCn1cc(Br)cn1)NC1CC([NH+]2CCCCC2)C1 ZINC000373828784 563352885 /nfs/dbraw/zinc/35/28/85/563352885.db2.gz LLDOUHDYIWEFHB-UHFFFAOYSA-N 1 0 398.349 2.742 20 0 GFADRO CO[C@@H]1CCCC[C@H]1[NH2+][C@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000280773885 563353089 /nfs/dbraw/zinc/35/30/89/563353089.db2.gz RQXMMWXHXWOGFX-LERXQTSPSA-N 1 0 391.331 2.705 20 0 GFADRO COC(=O)C[C@H](NC(=O)[C@@H]1CCC[NH2+][C@H]1C)c1ccc(Br)cc1 ZINC000423014233 563353346 /nfs/dbraw/zinc/35/33/46/563353346.db2.gz OMJSJBYGOBCCOW-GLQYFDAESA-N 1 0 383.286 2.558 20 0 GFADRO [NH3+]CCCCn1cc(C(=O)N2CCC[C@@H]2c2ccc(Br)cc2)nn1 ZINC000423059565 563353734 /nfs/dbraw/zinc/35/37/34/563353734.db2.gz FVJKIAOTUWXPLQ-MRXNPFEDSA-N 1 0 392.301 2.757 20 0 GFADRO C[C@@H]1CC[NH2+][C@H](C(=O)N2CCN(C(=O)c3c(Cl)cccc3Cl)CC2)C1 ZINC000423065578 563353945 /nfs/dbraw/zinc/35/39/45/563353945.db2.gz UWLHEZAKISUGLU-DOMZBBRYSA-N 1 0 384.307 2.666 20 0 GFADRO C[C@@H](C[C@@H]1COCCN1)[NH2+]Cc1ccc(I)cc1Cl ZINC000423093147 563354447 /nfs/dbraw/zinc/35/44/47/563354447.db2.gz GBRCAAQYMUMSAD-GXFFZTMASA-N 1 0 394.684 2.801 20 0 GFADRO C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000423085705 563354670 /nfs/dbraw/zinc/35/46/70/563354670.db2.gz KHZVLUUGPBWPBZ-KZULUSFZSA-N 1 0 384.307 2.725 20 0 GFADRO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000423093097 563354869 /nfs/dbraw/zinc/35/48/69/563354869.db2.gz FTWAZKKGHUIVRL-LRDDRELGSA-N 1 0 384.307 2.725 20 0 GFADRO O=C(NCc1ccc(Br)c(F)c1)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000423092033 563354982 /nfs/dbraw/zinc/35/49/82/563354982.db2.gz AGBQTGHQPZBIBJ-CYBMUJFWSA-N 1 0 381.249 2.639 20 0 GFADRO [NH3+]CC1CCN(C(=O)C(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)CC1 ZINC000423095864 563355242 /nfs/dbraw/zinc/35/52/42/563355242.db2.gz NHEZOTFJXLFMLO-MRXNPFEDSA-N 1 0 384.307 2.854 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cnn(-c2ccc(Br)cc2)c1 ZINC000373929395 563355665 /nfs/dbraw/zinc/35/56/65/563355665.db2.gz OQJSTHOICUDOQS-NVXWUHKLSA-N 1 0 389.297 2.991 20 0 GFADRO CC(C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000423163544 563357881 /nfs/dbraw/zinc/35/78/81/563357881.db2.gz MRHWHRVYMBYEAE-MLGOLLRUSA-N 1 0 386.323 2.926 20 0 GFADRO COC(=O)C[C@H]([NH3+])C(=O)NC[C@H](Cc1ccc(Cl)cc1Cl)C(C)C ZINC000423190415 563358660 /nfs/dbraw/zinc/35/86/60/563358660.db2.gz RTOGFELPDJGBKG-WFASDCNBSA-N 1 0 375.296 2.815 20 0 GFADRO Cc1cc(Br)ccc1CNC(=O)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000423193266 563358814 /nfs/dbraw/zinc/35/88/14/563358814.db2.gz VTAKMVQCOKOEHR-MRXNPFEDSA-N 1 0 377.286 2.809 20 0 GFADRO CN(Cc1cc(Br)cs1)C(=O)C[N@@H+]1CCCC[C@@H](CO)C1 ZINC000374047074 563359308 /nfs/dbraw/zinc/35/93/08/563359308.db2.gz AGKHQJLOBCCVNT-GFCCVEGCSA-N 1 0 375.332 2.563 20 0 GFADRO CN1CCNC[C@H]1C[NH2+][C@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC000423484749 563361195 /nfs/dbraw/zinc/36/11/95/563361195.db2.gz AJLOUZWRUYMXRU-GUYCJALGSA-N 1 0 377.330 2.801 20 0 GFADRO [NH3+][C@H]1CCCN(C(=O)C(=O)N2CC=C(c3ccc(Cl)c(Cl)c3)CC2)C1 ZINC000423557139 563361890 /nfs/dbraw/zinc/36/18/90/563361890.db2.gz CAZLOFGNZXNRCJ-AWEZNQCLSA-N 1 0 382.291 2.559 20 0 GFADRO C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC(c2cccc(Cl)c2Cl)CC1 ZINC000423604765 563362210 /nfs/dbraw/zinc/36/22/10/563362210.db2.gz IXXSQXCELIREDW-GFCCVEGCSA-N 1 0 384.307 2.520 20 0 GFADRO O=S(=O)(c1ccc(CC(F)(F)F)cc1)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000374114688 563362605 /nfs/dbraw/zinc/36/26/05/563362605.db2.gz NDZVGRRREVPDHJ-HOCLYGCPSA-N 1 0 376.444 2.944 20 0 GFADRO COc1cc(I)c(Cl)cc1C(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000423662300 563362934 /nfs/dbraw/zinc/36/29/34/563362934.db2.gz HJWWMGROBKIETH-CPCISQLKSA-N 1 0 394.640 2.515 20 0 GFADRO C[C@H]1CN(C(=O)C(=O)N2CCC(c3cccc(Cl)c3Cl)CC2)C[C@H]1[NH3+] ZINC000423733031 563363455 /nfs/dbraw/zinc/36/34/55/563363455.db2.gz BCYJOOUUWLOOTG-XHDPSFHLSA-N 1 0 384.307 2.505 20 0 GFADRO C[C@@H](C[NH3+])N(C)C(=O)C(=O)N1CCC(Cc2cc(Cl)ccc2Cl)CC1 ZINC000423711460 563363663 /nfs/dbraw/zinc/36/36/63/563363663.db2.gz ZNJUXTLARLLRPR-LBPRGKRZSA-N 1 0 386.323 2.580 20 0 GFADRO C[C@H]1CC[NH2+][C@@H](C(=O)NCc2noc(-c3cccc(Br)c3)n2)C1 ZINC000423928160 563364283 /nfs/dbraw/zinc/36/42/83/563364283.db2.gz KHEKNFUYUWPYBI-GXFFZTMASA-N 1 0 379.258 2.503 20 0 GFADRO Cc1cc([C@@H]2CCCN2C(=O)c2cn(CCC[NH3+])nn2)ccc1Br ZINC000423850594 563364291 /nfs/dbraw/zinc/36/42/91/563364291.db2.gz QKOGVZNECRYRMC-INIZCTEOSA-N 1 0 392.301 2.675 20 0 GFADRO O=C(Cn1cc(Br)cn1)NCc1ccccc1C[NH+]1CCCC1 ZINC000298704691 563364670 /nfs/dbraw/zinc/36/46/70/563364670.db2.gz UAZDWRVUKRPKSM-UHFFFAOYSA-N 1 0 377.286 2.558 20 0 GFADRO O[C@H](COc1ccc(Cl)cc1Cl)C[N@@H+]1CCC[C@@H]1[C@@H]1COCC[C@@H]1O ZINC000374176347 563364753 /nfs/dbraw/zinc/36/47/53/563364753.db2.gz VECYOUOYMZGECB-DIECFANBSA-N 1 0 390.307 2.595 20 0 GFADRO C[C@@H]1CN(C(=O)[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C[C@@]1(C)C[NH3+] ZINC000423987968 563366271 /nfs/dbraw/zinc/36/62/71/563366271.db2.gz XDDAEXGISZPISE-AEDCBLDQSA-N 1 0 384.307 2.790 20 0 GFADRO Cc1csc(C(=O)N2C[C@@H](C)[C@](C)(C[NH3+])C2)c1I ZINC000423975503 563366283 /nfs/dbraw/zinc/36/62/83/563366283.db2.gz NFVNGEYAVHOHPD-NOZJJQNGSA-N 1 0 378.279 2.718 20 0 GFADRO Cc1[nH]c(=O)c(C(=O)N2CC[NH2+]C[C@@H]2c2ccccc2)cc1Br ZINC000423996617 563366632 /nfs/dbraw/zinc/36/66/32/563366632.db2.gz KMMUHSQCACXMDU-OAHLLOKOSA-N 1 0 376.254 2.645 20 0 GFADRO CN(CC[NH3+])C(=O)c1nn(-c2cccc(Br)c2)c2c1CCCC2 ZINC000424014374 563367014 /nfs/dbraw/zinc/36/70/14/563367014.db2.gz ZSQOROKESIDUBM-UHFFFAOYSA-N 1 0 377.286 2.544 20 0 GFADRO C[C@@H]1CCN(C(=O)C2CCN(C(=O)c3ccc(Cl)s3)CC2)C[C@H]1C[NH3+] ZINC000424013930 563367269 /nfs/dbraw/zinc/36/72/69/563367269.db2.gz LBOYSDFEPBUAQP-TZMCWYRMSA-N 1 0 383.945 2.697 20 0 GFADRO C[NH+]1CCC2(CCCN2S(=O)(=O)c2ccccc2OC(F)(F)F)CC1 ZINC000374296262 563367427 /nfs/dbraw/zinc/36/74/27/563367427.db2.gz OQXSVWGJVZPPAW-UHFFFAOYSA-N 1 0 378.416 2.834 20 0 GFADRO C[C@@H]1CN(C(=O)c2ccc(Br)c(F)c2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000374319470 563368026 /nfs/dbraw/zinc/36/80/26/563368026.db2.gz YTOFVFYVQXAJAH-DYVFJYSZSA-N 1 0 398.320 2.686 20 0 GFADRO COc1ccccc1[C@@H]1CN(C(=O)c2ccncc2Br)CCN1 ZINC000374335772 563368180 /nfs/dbraw/zinc/36/81/80/563368180.db2.gz ZDTMCJKXWWXMCR-HNNXBMFYSA-N 1 0 376.254 2.639 20 0 GFADRO CN1CC[C@H](C[NH2+]Cc2ncc(Br)cc2Br)CC1=O ZINC000424185571 563372598 /nfs/dbraw/zinc/37/25/98/563372598.db2.gz GWRQZXIUKKDKGH-VIFPVBQESA-N 1 0 391.107 2.565 20 0 GFADRO CN1CC[C@H](C[NH2+]Cc2nc(-c3cccc(Br)c3)c[nH]2)CC1=O ZINC000424189586 563372727 /nfs/dbraw/zinc/37/27/27/563372727.db2.gz MPRTVMVEVKNUJN-LBPRGKRZSA-N 1 0 377.286 2.797 20 0 GFADRO C[C@H](CNC(=O)c1cc(Br)ccc1Cl)C[NH+]1CCN(C)CC1 ZINC000299013157 563373013 /nfs/dbraw/zinc/37/30/13/563373013.db2.gz MDGQMNQWIGMGHU-GFCCVEGCSA-N 1 0 388.737 2.716 20 0 GFADRO [NH3+][C@@H](C(=O)NCc1cc(Cl)cc(I)c1)C1CCC1 ZINC000424212512 563373660 /nfs/dbraw/zinc/37/36/60/563373660.db2.gz PPHHYPLAEFFHFT-GFCCVEGCSA-N 1 0 378.641 2.688 20 0 GFADRO Cc1cc(Br)cc(NC(=O)C(=O)N(C)CCC[NH+]2CCCC2)c1 ZINC000281388883 563375766 /nfs/dbraw/zinc/37/57/66/563375766.db2.gz HWOXIKMKTJLOQO-UHFFFAOYSA-N 1 0 382.302 2.640 20 0 GFADRO Cc1ccc(Br)c(S(=O)(=O)N2CC3(C[C@@H]2C)CC[NH2+]CC3)c1 ZINC000424385325 563377596 /nfs/dbraw/zinc/37/75/96/563377596.db2.gz CUXUVBMRKHWGEP-ZDUSSCGKSA-N 1 0 387.343 2.910 20 0 GFADRO Cc1cn2c(n1)CN(CC(=O)N[C@H](C)c1ccc(Br)cc1)CC2 ZINC000374650600 563378758 /nfs/dbraw/zinc/37/87/58/563378758.db2.gz XRSQCWNINPBVDZ-CYBMUJFWSA-N 1 0 377.286 2.647 20 0 GFADRO CCn1c(CNC(=O)N[C@@H]2CCCC[C@H]2[NH3+])nc2cc(Br)ccc21 ZINC000424459679 563379220 /nfs/dbraw/zinc/37/92/20/563379220.db2.gz HDUOEEMOKYQVIJ-CHWSQXEVSA-N 1 0 394.317 2.888 20 0 GFADRO C[C@@H](CCC[NH3+])NC(=O)NCc1cc(Cl)cc(I)c1 ZINC000424460200 563379567 /nfs/dbraw/zinc/37/95/67/563379567.db2.gz AQIBSZDZYZBOBH-VIFPVBQESA-N 1 0 395.672 2.871 20 0 GFADRO CN(CCC[NH+]1CCCC1)C(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000281597534 563380647 /nfs/dbraw/zinc/38/06/47/563380647.db2.gz DAGHSWNTFSCNOA-UHFFFAOYSA-N 1 0 378.416 2.538 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S(=O)(=O)CCN(C(C)C)C(C)C ZINC000281720133 563384888 /nfs/dbraw/zinc/38/48/88/563384888.db2.gz VIVMYYCLYJGLMB-UHFFFAOYSA-N 1 0 375.556 2.763 20 0 GFADRO Cc1oc(Br)cc1C(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000424665459 563386579 /nfs/dbraw/zinc/38/65/79/563386579.db2.gz QQBRGILAJJBTFT-CQSZACIVSA-N 1 0 384.318 2.593 20 0 GFADRO CC[N@@H+]1CC[C@@H](CNC(=O)c2cc(F)ccc2I)C1 ZINC000299599859 563387368 /nfs/dbraw/zinc/38/73/68/563387368.db2.gz HBUKIUMDPDFCEH-JTQLQIEISA-N 1 0 376.213 2.502 20 0 GFADRO Cc1sc(C(=O)NC[C@H](O)C[NH+]2CCC(C)CC2)cc1Br ZINC000424715201 563388723 /nfs/dbraw/zinc/38/87/23/563388723.db2.gz AEUYCOBEDJZXAW-LBPRGKRZSA-N 1 0 375.332 2.642 20 0 GFADRO C[N@H+](CCNC(=O)C1(c2ccc(Br)cc2)CCOCC1)C1CC1 ZINC000299699635 563389569 /nfs/dbraw/zinc/38/95/69/563389569.db2.gz ZYCPXGFRBUAZMA-UHFFFAOYSA-N 1 0 381.314 2.708 20 0 GFADRO CN(Cc1ccco1)C(=O)C[NH2+]C(C)(C)COc1ncccc1Br ZINC000299723042 563390608 /nfs/dbraw/zinc/39/06/08/563390608.db2.gz SVWHPGFKSXQSNP-UHFFFAOYSA-N 1 0 396.285 2.843 20 0 GFADRO COc1ncc(C(=O)NCc2ccc(CC[NH+](C)C)cc2)cc1Br ZINC000424785548 563391415 /nfs/dbraw/zinc/39/14/15/563391415.db2.gz BNQVSFAUXNFQQY-UHFFFAOYSA-N 1 0 392.297 2.887 20 0 GFADRO O=S(=O)(CCC(F)(F)F)NCC1CC[NH+](CCc2ccccc2)CC1 ZINC000375190188 563394130 /nfs/dbraw/zinc/39/41/30/563394130.db2.gz YWXRWTJTGATSNW-UHFFFAOYSA-N 1 0 378.460 2.813 20 0 GFADRO [NH3+]CC[C@H]1CCCN(C(=O)c2c(F)cccc2I)C1 ZINC000282039091 563395124 /nfs/dbraw/zinc/39/51/24/563395124.db2.gz UMLNVGWHUQUCAS-SNVBAGLBSA-N 1 0 376.213 2.631 20 0 GFADRO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCc1cc(Cl)cc(I)c1 ZINC000424897379 563396825 /nfs/dbraw/zinc/39/68/25/563396825.db2.gz QYJBSPAOYMNNNM-ZANVPECISA-N 1 0 392.668 2.759 20 0 GFADRO Cn1cnnc1C1CCN(Cc2cccc(I)c2)CC1 ZINC000375308617 563399007 /nfs/dbraw/zinc/39/90/07/563399007.db2.gz JFKSLGHFXZUFKW-UHFFFAOYSA-N 1 0 382.249 2.799 20 0 GFADRO C[C@H](NC(=O)C[NH2+][C@H]1CCC(=O)N[C@H]1C1CC1)c1ccc(Cl)cc1Cl ZINC000375351040 563401282 /nfs/dbraw/zinc/40/12/82/563401282.db2.gz BKNMYUSSUFZEJR-RNCGHPTOSA-N 1 0 384.307 2.817 20 0 GFADRO C[C@H](NC(=O)NCCN1CC[N@H+](C)C(C)(C)C1)c1ccc(Br)cc1 ZINC000282210504 563402357 /nfs/dbraw/zinc/40/23/57/563402357.db2.gz DHZMGXCAHODVTE-AWEZNQCLSA-N 1 0 397.361 2.835 20 0 GFADRO CN(CC[NH+](C)C)c1ccc(Br)cc1NC(=O)C[C@H]1CCOC1 ZINC000425097998 563404594 /nfs/dbraw/zinc/40/45/94/563404594.db2.gz JPLNURNQSNITDT-CYBMUJFWSA-N 1 0 384.318 2.812 20 0 GFADRO CC[NH+]1CCN(CCC(=O)N[C@@H]2CCOc3c(Cl)c(Cl)ccc32)CC1 ZINC000375423147 563405112 /nfs/dbraw/zinc/40/51/12/563405112.db2.gz AYOSWYHVYASZQO-OAHLLOKOSA-N 1 0 386.323 2.961 20 0 GFADRO Cc1ccn(CC(=O)Nc2cc(Br)ccc2N(C)CC[NH+](C)C)n1 ZINC000425101295 563405246 /nfs/dbraw/zinc/40/52/46/563405246.db2.gz ZMHNEHZRZREDMQ-UHFFFAOYSA-N 1 0 394.317 2.591 20 0 GFADRO O=C(N[C@H]1CCOc2c(Br)cccc21)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000282428269 563410562 /nfs/dbraw/zinc/41/05/62/563410562.db2.gz JEXGBPWDFZZACG-BBRMVZONSA-N 1 0 392.297 2.928 20 0 GFADRO O=S(=O)(/C=C/c1cccc(Br)c1)N1CCC2(C1)CC[NH2+]CC2 ZINC000375600850 563411010 /nfs/dbraw/zinc/41/10/10/563411010.db2.gz ZRPFIDLOIFPKRD-NYYWCZLTSA-N 1 0 385.327 2.825 20 0 GFADRO C[C@H]([NH2+][C@H]1CCO[C@H]1C1CC1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000375667671 563413683 /nfs/dbraw/zinc/41/36/83/563413683.db2.gz ZEBPZGHNKJKVJR-IIRLODAESA-N 1 0 379.309 2.859 20 0 GFADRO CCOc1cc(C[NH2+]CC2([S@](C)=O)CC2)cc(Br)c1OC ZINC000282516177 563413754 /nfs/dbraw/zinc/41/37/54/563413754.db2.gz XXOJVFKDDCCCAU-NRFANRHFSA-N 1 0 376.316 2.857 20 0 GFADRO COc1cc2[nH+]ccc(N[C@@H](CO)C3CCOCC3)c2cc1Br ZINC000425259443 563415485 /nfs/dbraw/zinc/41/54/85/563415485.db2.gz LXFVDXQANURZBW-INIZCTEOSA-N 1 0 381.270 2.627 20 0 GFADRO C[C@@H]([NH2+]Cc1ccc(Br)c(Br)c1)C(=O)NCCF ZINC000282596469 563417444 /nfs/dbraw/zinc/41/74/44/563417444.db2.gz HFYBFHPCYRUYMF-MRVPVSSYSA-N 1 0 382.071 2.775 20 0 GFADRO COCC(C)(C)[NH+]1CCN(Cc2cc(O)c(OC)cc2Br)CC1 ZINC000425349562 563418803 /nfs/dbraw/zinc/41/88/03/563418803.db2.gz KWGDAGWJNMHBGL-UHFFFAOYSA-N 1 0 387.318 2.706 20 0 GFADRO O=C(C[NH2+][C@@H](C1CCOCC1)C1(CO)CCC1)NCc1ccc(Cl)s1 ZINC000425546389 563427003 /nfs/dbraw/zinc/42/70/03/563427003.db2.gz ROHDUVDXXALQNK-KRWDZBQOSA-N 1 0 386.945 2.565 20 0 GFADRO COc1ccc(CNC(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)cc1Br ZINC000425670211 563430577 /nfs/dbraw/zinc/43/05/77/563430577.db2.gz QXLABICMFCEBLR-DZGCQCFKSA-N 1 0 382.302 2.693 20 0 GFADRO Cn1ncc(Br)c1CN[C@@H]1CCN(C(=O)Nc2ccccc2)C1 ZINC000282996699 563432504 /nfs/dbraw/zinc/43/25/04/563432504.db2.gz NLPSVPMOYFNGPT-CYBMUJFWSA-N 1 0 378.274 2.579 20 0 GFADRO CC[N@H+](CCNC(=O)[C@@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1)C1CC1 ZINC000303102126 563433174 /nfs/dbraw/zinc/43/31/74/563433174.db2.gz CPQDOKBTZDUPJA-GFCCVEGCSA-N 1 0 384.307 2.947 20 0 GFADRO C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000303511542 563433387 /nfs/dbraw/zinc/43/33/87/563433387.db2.gz CJKVLKUASBULOP-OLZOCXBDSA-N 1 0 386.323 2.923 20 0 GFADRO CS(=O)(=O)c1cccc(Br)c1N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000376221179 563433463 /nfs/dbraw/zinc/43/34/63/563433463.db2.gz UAPBBAUERXBNLZ-GUTXKFCHSA-N 1 0 399.354 2.773 20 0 GFADRO CC[NH+]1CCN([C@H]2CCN(c3nc(C(Cl)(Cl)Cl)ns3)C2)CC1 ZINC000376216339 563433576 /nfs/dbraw/zinc/43/35/76/563433576.db2.gz ABBLEEIBQATODO-JTQLQIEISA-N 1 0 384.764 2.581 20 0 GFADRO COCC[C@H](CO)[NH2+]Cc1cc(Br)c(OC)c(Br)c1 ZINC000311281283 563436220 /nfs/dbraw/zinc/43/62/20/563436220.db2.gz BRJYPNAMIRLOSO-SNVBAGLBSA-N 1 0 397.107 2.707 20 0 GFADRO Cc1ccc(CN2C(=O)N[C@@]3(CCCC[C@@H]3C[NH3+])C2=O)cc1Br ZINC000314575851 563439102 /nfs/dbraw/zinc/43/91/02/563439102.db2.gz PPHHONYGTRMDOW-CXAGYDPISA-N 1 0 380.286 2.697 20 0 GFADRO CC(C)(NC(=O)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O)c1ccc(Br)cc1 ZINC000376374997 563439813 /nfs/dbraw/zinc/43/98/13/563439813.db2.gz FZUXJUBRJWETQS-YHWZYXNKSA-N 1 0 379.298 2.615 20 0 GFADRO CCOCCCNC(=O)[C@@H](C)[NH2+][C@@H]1CCOc2c(Br)cccc21 ZINC000283335846 563441760 /nfs/dbraw/zinc/44/17/60/563441760.db2.gz AQMXEUVZHKLZKW-IUODEOHRSA-N 1 0 385.302 2.794 20 0 GFADRO CCOc1ccc(Br)cc1S(=O)(=O)N1CC[C@H]([NH3+])[C@@H](CC)C1 ZINC000316777945 563441856 /nfs/dbraw/zinc/44/18/56/563441856.db2.gz FULRIMLYQZJINR-AAEUAGOBSA-N 1 0 391.331 2.596 20 0 GFADRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)COc1ccc(C=O)cc1Br ZINC000376444147 563442708 /nfs/dbraw/zinc/44/27/08/563442708.db2.gz XLAQMCNAMIIBIF-CJNGLKHVSA-N 1 0 395.297 2.726 20 0 GFADRO O=S(=O)(c1ccc(Br)c(F)c1)N1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000318315775 563443187 /nfs/dbraw/zinc/44/31/87/563443187.db2.gz PCWVWIQZSSIUPB-HUUCEWRRSA-N 1 0 391.306 2.883 20 0 GFADRO Cc1cc(NC(=O)C(=O)NCCC[N@@H+](C)C(C)C)cc(C)c1Br ZINC000426107812 563443349 /nfs/dbraw/zinc/44/33/49/563443349.db2.gz BMSPYEFCRSVIAM-UHFFFAOYSA-N 1 0 384.318 2.851 20 0 GFADRO C[NH+](C)C[C@@](C)(O)CNC(=O)N[C@H]1c2cccc(Br)c2CC1(C)C ZINC000426087458 563443574 /nfs/dbraw/zinc/44/35/74/563443574.db2.gz XLABYTJVSWDXGU-YJBOKZPZSA-N 1 0 398.345 2.684 20 0 GFADRO O=C([C@H]1CCC[N@@H+]1C1CC1)N1CCO[C@H](c2cccc(Br)c2)C1 ZINC000426087498 563443580 /nfs/dbraw/zinc/44/35/80/563443580.db2.gz VZYNQHRKVAFSLD-SJORKVTESA-N 1 0 379.298 2.976 20 0 GFADRO O[C@H](C[NH2+]CCCn1cc(Br)cn1)COc1ccc(Cl)cc1 ZINC000319090349 563444998 /nfs/dbraw/zinc/44/49/98/563444998.db2.gz MXKXMRUAFWXZIU-CQSZACIVSA-N 1 0 388.693 2.719 20 0 GFADRO Cn1ncc(Br)c1CN1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000426161721 563445704 /nfs/dbraw/zinc/44/57/04/563445704.db2.gz MVGXWHLZGXKMGN-UHFFFAOYSA-N 1 0 385.350 2.507 20 0 GFADRO OCC[C@@H]1CCC[N@@H+]1C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000426259091 563447864 /nfs/dbraw/zinc/44/78/64/563447864.db2.gz ZVSKPPIXERZGMF-QWHCGFSZSA-N 1 0 378.694 2.689 20 0 GFADRO [NH3+]C[C@@H]1CCCC[C@@]12NC(=O)N(Cc1cc(F)cc(Br)c1)C2=O ZINC000321356982 563448062 /nfs/dbraw/zinc/44/80/62/563448062.db2.gz XXUBVBUYBIXZNA-MEDUHNTESA-N 1 0 384.249 2.528 20 0 GFADRO CC(C)c1nnc(CC[NH2+][C@@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)s1 ZINC000426302808 563448727 /nfs/dbraw/zinc/44/87/27/563448727.db2.gz UYFOMWGTARAJGI-ZDUSSCGKSA-N 1 0 382.555 2.805 20 0 GFADRO CCC[C@@H]([NH3+])c1cn(Cc2nc(-c3cccc(Br)c3)no2)nn1 ZINC000323448681 563450448 /nfs/dbraw/zinc/45/04/48/563450448.db2.gz UNHVANBMJVMNTD-GFCCVEGCSA-N 1 0 377.246 2.939 20 0 GFADRO CCC[C@H]([NH3+])c1cn(CC(=O)N[C@@H](C)c2ccc(Br)cc2)nn1 ZINC000323588907 563450669 /nfs/dbraw/zinc/45/06/69/563450669.db2.gz BTXCRTPLXPCQDJ-FZMZJTMJSA-N 1 0 380.290 2.718 20 0 GFADRO CN(CC[NH+]1CCCC1)C(=O)N[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000426454094 563451357 /nfs/dbraw/zinc/45/13/57/563451357.db2.gz MEEPKQSPWPUYSU-INIZCTEOSA-N 1 0 395.345 2.765 20 0 GFADRO O=C(Nc1ncc(C(F)(F)F)s1)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000283707998 563451884 /nfs/dbraw/zinc/45/18/84/563451884.db2.gz YHGXWZPQRNJZAS-QWRGUYRKSA-N 1 0 378.420 2.661 20 0 GFADRO [NH3+][C@H](CNC(=O)[C@@H]1CCCN1c1ncc(C(F)(F)F)cc1Cl)C1CC1 ZINC000376804159 563454922 /nfs/dbraw/zinc/45/49/22/563454922.db2.gz KCFKRIYETLGAPE-OLZOCXBDSA-N 1 0 376.810 2.576 20 0 GFADRO O=S(=O)(c1ccc(Cl)cc1C(F)(F)F)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000326776591 563455794 /nfs/dbraw/zinc/45/57/94/563455794.db2.gz NYFLNQHHQSRCNU-PHIMTYICSA-N 1 0 382.835 2.979 20 0 GFADRO C[N@H+](CC(=O)N1CCC[C@H](c2nc(C(F)(F)F)c[nH]2)C1)[C@H]1CCSC1 ZINC000328598406 563461728 /nfs/dbraw/zinc/46/17/28/563461728.db2.gz BCGPFKHERVMBJT-RYUDHWBXSA-N 1 0 376.448 2.572 20 0 GFADRO CC(C)(COc1ccc(C(F)(F)F)cn1)[NH2+]C[C@H]1CCCS(=O)(=O)C1 ZINC000284063190 563463034 /nfs/dbraw/zinc/46/30/34/563463034.db2.gz KHJWFFNAVGOCCD-GFCCVEGCSA-N 1 0 380.432 2.672 20 0 GFADRO Cc1cc(C(=O)N[C@H](C)CN2CC[NH+](C)CC2)cc(Cl)c1Br ZINC000284092567 563463778 /nfs/dbraw/zinc/46/37/78/563463778.db2.gz TUUNFPIXZWTMHZ-GFCCVEGCSA-N 1 0 388.737 2.777 20 0 GFADRO CS(=O)(=O)N1CC[C@H](C[NH+]2CCC(C(=O)c3ccc(Cl)cc3)CC2)C1 ZINC000377121549 563464148 /nfs/dbraw/zinc/46/41/48/563464148.db2.gz VTVFTZLXEMVIRW-CQSZACIVSA-N 1 0 384.929 2.516 20 0 GFADRO O=C(C[C@H]1CCC[NH2+]CC1)N[C@@H]1CCN(c2ccccc2Br)C1 ZINC000427293645 563465025 /nfs/dbraw/zinc/46/50/25/563465025.db2.gz DFRLRFQGZQDOOO-LSDHHAIUSA-N 1 0 380.330 2.924 20 0 GFADRO C[NH+]1CCC([C@H]2CCN(C(=O)c3[nH]nc(C4CC4)c3Br)C2)CC1 ZINC000328772661 563465123 /nfs/dbraw/zinc/46/51/23/563465123.db2.gz JULLUIKDJPRXJB-ZDUSSCGKSA-N 1 0 381.318 2.854 20 0 GFADRO COC(=O)[C@@H](NC(=O)C[C@H]1CCC[NH2+]CC1)c1ccc(Br)cc1 ZINC000427356858 563465914 /nfs/dbraw/zinc/46/59/14/563465914.db2.gz JFLWKFCMNWIWSG-LRDDRELGSA-N 1 0 383.286 2.559 20 0 GFADRO Cc1cc(C[NH2+][C@@H]2CC(=O)N(C)[C@H]2c2ccnn2C)sc1Br ZINC000328895805 563467733 /nfs/dbraw/zinc/46/77/33/563467733.db2.gz BPCFTMNLXWBAOU-BXUZGUMPSA-N 1 0 383.315 2.614 20 0 GFADRO COCc1nc(C(=O)N[C@H]2CC[N@H+](Cc3cnc(C)s3)C[C@@H]2C)cs1 ZINC000377233486 563467975 /nfs/dbraw/zinc/46/79/75/563467975.db2.gz SZBHNKDIFRGNNE-FZMZJTMJSA-N 1 0 380.539 2.695 20 0 GFADRO Cc1nn(C)c(N2CCOCC2)c1CN1CCSC[C@H]1c1cccs1 ZINC000377249981 563468855 /nfs/dbraw/zinc/46/88/55/563468855.db2.gz MFNKLAIUXKDDBM-INIZCTEOSA-N 1 0 378.567 2.917 20 0 GFADRO C[N@@H+]1C[C@@H](NC(=O)c2[nH]nc(C3CC3)c2Br)[C@@H](c2ccccc2)C1 ZINC000328993844 563469712 /nfs/dbraw/zinc/46/97/12/563469712.db2.gz DVXDVIPOFKZWNP-ZIAGYGMSSA-N 1 0 389.297 2.877 20 0 GFADRO O=C(Nc1ccn(-c2ccc(Cl)cc2Cl)n1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000329092834 563472200 /nfs/dbraw/zinc/47/22/00/563472200.db2.gz AUEVRVDZTNGTGG-CYBMUJFWSA-N 1 0 380.279 3.491 20 0 GFADRO Ic1cnc(CN2CCC[C@H]2C[NH+]2CCCC2)s1 ZINC000377545000 563478595 /nfs/dbraw/zinc/47/85/95/563478595.db2.gz WQALIBYUXQZOLW-NSHDSACASA-N 1 0 377.295 2.808 20 0 GFADRO O=S(=O)(c1cc(Cl)ccc1OCCC1CC1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000427955329 563479184 /nfs/dbraw/zinc/47/91/84/563479184.db2.gz AQPRDJYFFVHQFP-GDBMZVCRSA-N 1 0 384.929 2.891 20 0 GFADRO Cn1nccc1[C@H]1[C@H]([NH2+]Cc2ccc(Br)s2)CCC(=O)N1C ZINC000284614670 563482246 /nfs/dbraw/zinc/48/22/46/563482246.db2.gz RXEAUAXDONAUHE-IAQYHMDHSA-N 1 0 383.315 2.696 20 0 GFADRO Cc1cc(Br)oc1C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C ZINC000284634064 563483671 /nfs/dbraw/zinc/48/36/71/563483671.db2.gz QTBZNYCMORRTLZ-SWLSCSKDSA-N 1 0 395.301 2.897 20 0 GFADRO O=C(c1[nH]nc(C2CC2)c1Br)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000329619860 563483652 /nfs/dbraw/zinc/48/36/52/563483652.db2.gz GODVSPAKIBQUIP-LBPRGKRZSA-N 1 0 381.318 2.998 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)C1(c2cccc(Br)c2)CC(=O)C1 ZINC000377730903 563485196 /nfs/dbraw/zinc/48/51/96/563485196.db2.gz AHRAZZKWRDLLQK-CVEARBPZSA-N 1 0 391.309 2.793 20 0 GFADRO CCCOc1c(Br)cc(C(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1OC ZINC000377746915 563485388 /nfs/dbraw/zinc/48/53/88/563485388.db2.gz QASHOCYRWOZATK-GXTWGEPZSA-N 1 0 397.313 2.928 20 0 GFADRO C[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccc(Cl)nc2)[C@@H]1c1cccs1 ZINC000377765922 563485693 /nfs/dbraw/zinc/48/56/93/563485693.db2.gz YCQZFKKENXIXEZ-IAQYHMDHSA-N 1 0 378.885 2.544 20 0 GFADRO Cc1ncc(S(=O)(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)s1 ZINC000377772251 563486251 /nfs/dbraw/zinc/48/62/51/563486251.db2.gz WONNCARNSWPCLX-DLBZAZTESA-N 1 0 377.535 2.594 20 0 GFADRO C[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCCN2c2nccs2)[C@H]1c1cccs1 ZINC000377785638 563486557 /nfs/dbraw/zinc/48/65/57/563486557.db2.gz SQEOQYCOHJEAIU-FMKPAKJESA-N 1 0 376.551 2.983 20 0 GFADRO CC(C)CNC(=O)NC(=O)[C@@H](C)[NH2+][C@H](c1cncc(Br)c1)C1CC1 ZINC000284763955 563489639 /nfs/dbraw/zinc/48/96/39/563489639.db2.gz MGEOSZLQFCUNJL-ABAIWWIYSA-N 1 0 397.317 2.755 20 0 GFADRO C[NH2+][C@@H]1CCN(C(=O)c2cccn2-c2cccc(I)c2)C1 ZINC000428409342 563490802 /nfs/dbraw/zinc/49/08/02/563490802.db2.gz BMUJRXDIEVPBNP-CYBMUJFWSA-N 1 0 395.244 2.516 20 0 GFADRO O=C(CCc1ccc(Br)cc1)NC[C@H]1CCC[C@@H]1[NH+]1CCOCC1 ZINC000377999217 563493126 /nfs/dbraw/zinc/49/31/26/563493126.db2.gz IRFDKVXAUKLQKQ-AEFFLSMTSA-N 1 0 395.341 2.999 20 0 GFADRO O=C(N[C@@H](CO)CC(F)F)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000428474874 563493249 /nfs/dbraw/zinc/49/32/49/563493249.db2.gz MFVKOQCYBGDANJ-OAHLLOKOSA-N 1 0 375.847 2.620 20 0 GFADRO Cn1cnc(C(=O)N(Cc2ccccc2Br)C2CC[NH+](C)CC2)c1 ZINC000378075584 563495523 /nfs/dbraw/zinc/49/55/23/563495523.db2.gz GLNDBAXAOMYHJL-UHFFFAOYSA-N 1 0 391.313 2.919 20 0 GFADRO CC(C)[NH+]1CCN([C@H]2CCN(C(=O)c3ccc(Br)c(F)c3)C2)CC1 ZINC000378093546 563496471 /nfs/dbraw/zinc/49/64/71/563496471.db2.gz AMNVZJJKPLXUDO-HNNXBMFYSA-N 1 0 398.320 2.829 20 0 GFADRO COCC[C@@]1(C(=O)NCCc2ccc(-c3csc(C)n3)s2)CC[NH2+]C1 ZINC000378214893 563498998 /nfs/dbraw/zinc/49/89/98/563498998.db2.gz NSIYPLYIVFRIDB-SFHVURJKSA-N 1 0 379.551 2.855 20 0 GFADRO [NH3+]CCNC(=O)c1cnn(-c2ncc(C(F)(F)F)cc2Cl)c1C(F)F ZINC000428776059 563501307 /nfs/dbraw/zinc/50/13/07/563501307.db2.gz DGYFVZSIFKFPFT-UHFFFAOYSA-N 1 0 383.708 2.566 20 0 GFADRO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000285140450 563504924 /nfs/dbraw/zinc/50/49/24/563504924.db2.gz LVBZUTYGTHVOKG-GFCCVEGCSA-N 1 0 384.307 2.552 20 0 GFADRO C[C@H](NC(=O)c1cc(-c2ccc(Br)cc2)n[nH]1)[C@@H]1CCC[NH2+]C1 ZINC000428944566 563505032 /nfs/dbraw/zinc/50/50/32/563505032.db2.gz UKFCMGYJRYCEEZ-WCQYABFASA-N 1 0 377.286 2.957 20 0 GFADRO Cc1csc(N2CCC([NH2+][C@H]3CCCN(CC(F)(F)F)C3=O)CC2)n1 ZINC000378398453 563505468 /nfs/dbraw/zinc/50/54/68/563505468.db2.gz FTKUSWKOGGXNFF-ZDUSSCGKSA-N 1 0 376.448 2.563 20 0 GFADRO Cc1ccccc1OC[C@@H](O)C[NH2+][C@@H](CO)c1ccc(Br)c(F)c1 ZINC000429017145 563507942 /nfs/dbraw/zinc/50/79/42/563507942.db2.gz CIVREDGYQZDPKL-YOEHRIQHSA-N 1 0 398.272 2.960 20 0 GFADRO CCS(=O)(=O)NCC[NH2+][C@@H](c1cc(Cl)ccc1Cl)[C@@H]1CCOC1 ZINC000378472395 563508586 /nfs/dbraw/zinc/50/85/86/563508586.db2.gz JALDLDFCKDYJHZ-IAQYHMDHSA-N 1 0 381.325 2.600 20 0 GFADRO O=C(COc1ccc(Cl)c(Cl)c1)Nc1ccc(N2CC[NH2+]CC2)cn1 ZINC000429035285 563508770 /nfs/dbraw/zinc/50/87/70/563508770.db2.gz MORPVGBLNBOQRM-UHFFFAOYSA-N 1 0 381.263 2.816 20 0 GFADRO CC(C)(O)C[NH+]1CCN(Cc2nnc(-c3ccc(Cl)cc3Cl)o2)CC1 ZINC000330539465 563510307 /nfs/dbraw/zinc/51/03/07/563510307.db2.gz QZSHWHZQGPHZRH-UHFFFAOYSA-N 1 0 385.295 2.932 20 0 GFADRO CS(=O)(=O)N[C@@H]1CCCC[C@@H]1[NH2+]CCOc1c(Cl)cccc1Cl ZINC000330600929 563512718 /nfs/dbraw/zinc/51/27/18/563512718.db2.gz GCTQJSLVCMUQLM-UONOGXRCSA-N 1 0 381.325 2.822 20 0 GFADRO CC1(C)CN(c2ccc(Cl)cc2)CC[N@@H+]1C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000429284342 563513242 /nfs/dbraw/zinc/51/32/42/563513242.db2.gz JXDHNGXKZJQNQI-OAHLLOKOSA-N 1 0 385.961 2.522 20 0 GFADRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)CCNC(=O)Nc1ccc(Br)cc1 ZINC000429278499 563513482 /nfs/dbraw/zinc/51/34/82/563513482.db2.gz IYDGELKYHWCZGQ-WFASDCNBSA-N 1 0 397.317 2.594 20 0 GFADRO C[C@@H](C(=O)N[C@@H](CO)C[NH+]1CCCCC1)c1ccc(Br)s1 ZINC000330608546 563513645 /nfs/dbraw/zinc/51/36/45/563513645.db2.gz MYYTWCBJPXFXEV-VXGBXAGGSA-N 1 0 375.332 2.577 20 0 GFADRO CC1(C)Cc2ccc(Br)cc2[C@H]1[NH2+]CC(=O)NC(=O)NC1CC1 ZINC000429293187 563513946 /nfs/dbraw/zinc/51/39/46/563513946.db2.gz KTCFHFBLLSPJPX-OAHLLOKOSA-N 1 0 380.286 2.650 20 0 GFADRO CCS(=O)(=O)NCCC[NH2+][C@H]1c2cc(Br)ccc2CC1(C)C ZINC000429295271 563514368 /nfs/dbraw/zinc/51/43/68/563514368.db2.gz UAWDOTQXOXUYBN-HNNXBMFYSA-N 1 0 389.359 2.992 20 0 GFADRO CCOC(=O)C1CCC([NH2+]Cc2ncc(I)s2)CC1 ZINC000382088582 563516398 /nfs/dbraw/zinc/51/63/98/563516398.db2.gz KXRKSGIOCLVWPO-UHFFFAOYSA-N 1 0 394.278 2.959 20 0 GFADRO C[C@@H]1C[C@H](NS(=O)(=O)c2c(Cl)cccc2Br)CC[N@@H+]1C ZINC000383228243 563516592 /nfs/dbraw/zinc/51/65/92/563516592.db2.gz ATJSJGJGUMDBLA-NXEZZACHSA-N 1 0 381.723 2.864 20 0 GFADRO C[C@@H]([NH2+][C@@H](CO)CC(F)F)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000429444034 563516772 /nfs/dbraw/zinc/51/67/72/563516772.db2.gz ARVCNYMPFPZKNH-UKRRQHHQSA-N 1 0 376.469 2.528 20 0 GFADRO O=C(NCCC[NH+]1CCC(O)CC1)C1(c2cc(F)cc(Br)c2)CC1 ZINC000285389573 563518009 /nfs/dbraw/zinc/51/80/09/563518009.db2.gz DDOSJUSYXGPCMQ-UHFFFAOYSA-N 1 0 399.304 2.583 20 0 GFADRO O=C(C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2)Nc1ccc(Br)cn1 ZINC000429707185 563521122 /nfs/dbraw/zinc/52/11/22/563521122.db2.gz GODSUUGBCVRDKE-DAXOMENPSA-N 1 0 380.286 2.720 20 0 GFADRO C[C@H](C[NH2+]C1CCC2(CC1)NC(=O)NC2=O)c1cccc(Br)c1 ZINC000285449963 563521317 /nfs/dbraw/zinc/52/13/17/563521317.db2.gz IVKDKTXFSSXQII-ACCOQDJYSA-N 1 0 380.286 2.663 20 0 GFADRO CS(=O)(=O)N[C@@H]1CCCC[C@@H]1[NH2+]Cc1cccc(OCC(F)(F)F)c1 ZINC000429723451 563521511 /nfs/dbraw/zinc/52/15/11/563521511.db2.gz VBWPYXPTUHXQCH-LSDHHAIUSA-N 1 0 380.432 2.578 20 0 GFADRO CC[NH+](CC)CC1CCN(S(=O)(=O)c2ccc(C(F)(F)F)nc2)CC1 ZINC000330796284 563521714 /nfs/dbraw/zinc/52/17/14/563521714.db2.gz FPIBWWFOUNYPAZ-UHFFFAOYSA-N 1 0 379.448 2.843 20 0 GFADRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)c1ccc(Br)cc1Br ZINC000389741734 563521828 /nfs/dbraw/zinc/52/18/28/563521828.db2.gz ZZCQHDSHMBFJNA-PELKAZGASA-N 1 0 376.092 2.939 20 0 GFADRO CCOc1ccc(Br)cc1S(=O)(=O)N[C@H]1CC[NH2+]CC1(C)C ZINC000390214118 563522754 /nfs/dbraw/zinc/52/27/54/563522754.db2.gz MACMEOBPSAKQMQ-AWEZNQCLSA-N 1 0 391.331 2.514 20 0 GFADRO C[C@H](c1ccc(OC(F)(F)F)cc1)[NH+]1CCC(CNS(C)(=O)=O)CC1 ZINC000285589795 563528136 /nfs/dbraw/zinc/52/81/36/563528136.db2.gz XNAYPZDTEOYZCR-GFCCVEGCSA-N 1 0 380.432 2.907 20 0 GFADRO CC[C@@H](Cc1cccc(Br)c1)C(=O)NC[C@](C)(O)CC[NH+](C)C ZINC000429900431 563528299 /nfs/dbraw/zinc/52/82/99/563528299.db2.gz GAQMAAAWRFGSLD-MAUKXSAKSA-N 1 0 385.346 2.837 20 0 GFADRO COc1cc(Br)c(C[NH2+]CC2([S@@](C)=O)CCC2)cc1OC ZINC000393698135 563529695 /nfs/dbraw/zinc/52/96/95/563529695.db2.gz CVLHUIUSXPTOOU-OAQYLSRUSA-N 1 0 376.316 2.857 20 0 GFADRO COCc1ncc(C(=O)Nc2cc(Cl)ccc2N2CC[NH+](C)CC2)s1 ZINC000285636498 563529930 /nfs/dbraw/zinc/52/99/30/563529930.db2.gz XOZUVKLBXMCFCS-UHFFFAOYSA-N 1 0 380.901 2.947 20 0 GFADRO C[C@@H]1C[C@H](C)N(CCS(=O)(=O)c2ccc(Br)cc2)C[C@@H]1C[NH3+] ZINC000397389853 563531970 /nfs/dbraw/zinc/53/19/70/563531970.db2.gz XGOSTEHBBPVNRX-RDBSUJKOSA-N 1 0 389.359 2.528 20 0 GFADRO [NH3+]CCCOC1CCN(C(=O)c2cc(F)c(F)cc2Br)CC1 ZINC000285765327 563536195 /nfs/dbraw/zinc/53/61/95/563536195.db2.gz ROELRPJCEKTWLW-UHFFFAOYSA-N 1 0 377.229 2.697 20 0 GFADRO CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](CO)Cc1ccc(Br)cc1 ZINC000430160950 563537153 /nfs/dbraw/zinc/53/71/53/563537153.db2.gz CPSPFKDIHARMIJ-NVXWUHKLSA-N 1 0 383.330 2.591 20 0 GFADRO C[C@H](C(=O)NC[C@H](CO)Cc1ccc(Br)cc1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000430169262 563538205 /nfs/dbraw/zinc/53/82/05/563538205.db2.gz PCNMFQDTOUYFOX-JYYAWHABSA-N 1 0 397.357 2.978 20 0 GFADRO Cc1cc([C@@H]2CCC[N@@H+]2C[C@H](O)CN2CCOCC2)ccc1Br ZINC000430230341 563539199 /nfs/dbraw/zinc/53/91/99/563539199.db2.gz YCPKJMFUPYCKBM-AEFFLSMTSA-N 1 0 383.330 2.588 20 0 GFADRO CC(C)[C@@H](CNS(=O)(=O)c1ccc(Cl)cc1Cl)N1CC[NH+](C)CC1 ZINC000331205425 563539993 /nfs/dbraw/zinc/53/99/93/563539993.db2.gz XPFHAJZMNFLAHU-OAHLLOKOSA-N 1 0 394.368 2.544 20 0 GFADRO COc1cc(C)c(Br)cc1C(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000285900692 563541644 /nfs/dbraw/zinc/54/16/44/563541644.db2.gz YGNYVGFNMGULHP-UHFFFAOYSA-N 1 0 399.329 2.685 20 0 GFADRO CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@@H](C)c2cc(C(=O)OC)cs2)c1 ZINC000285933359 563542583 /nfs/dbraw/zinc/54/25/83/563542583.db2.gz FHUHVXFPELYKGD-RYUDHWBXSA-N 1 0 382.507 2.855 20 0 GFADRO C[C@H](C(=O)Nc1ccc(Br)cc1Br)N1CC[C@H]([NH3+])C1 ZINC000430608586 563546657 /nfs/dbraw/zinc/54/66/57/563546657.db2.gz DSBSZSBNJHVEQE-SCZZXKLOSA-N 1 0 391.107 2.572 20 0 GFADRO O=C(c1cnc2ccc(Br)cc2c1O)N1CCN2CCCC[C@H]2C1 ZINC000408193456 563547450 /nfs/dbraw/zinc/54/74/50/563547450.db2.gz CKHKCBBUOUCTDM-ZDUSSCGKSA-N 1 0 390.281 2.601 20 0 GFADRO CO[C@@H]1C[C@@H]([NH2+][C@H](C)c2ccc(Br)c(S(N)(=O)=O)c2)C1(C)C ZINC000430712960 563548419 /nfs/dbraw/zinc/54/84/19/563548419.db2.gz IVRGEIMRGMDJLQ-OWYVNGRQSA-N 1 0 391.331 2.561 20 0 GFADRO COc1ccc(C(=O)N2CCCC[C@@H]2CC[NH3+])c(I)c1 ZINC000286135797 563549658 /nfs/dbraw/zinc/54/96/58/563549658.db2.gz PEWUZJKTGOCYSQ-LLVKDONJSA-N 1 0 388.249 2.643 20 0 GFADRO CCCN(Cc1csc(-c2ccc(S(C)(=O)=O)cc2)n1)[C@@H]1CC[NH2+]C1 ZINC000430939392 563550028 /nfs/dbraw/zinc/55/00/28/563550028.db2.gz FXSVIEUOCUGUEG-MRXNPFEDSA-N 1 0 379.551 2.788 20 0 GFADRO CC[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)[C@H](C)C[NH2+]C)CC1 ZINC000430905601 563550236 /nfs/dbraw/zinc/55/02/36/563550236.db2.gz FYFMBYXRKUNCKY-PBHICJAKSA-N 1 0 382.346 2.900 20 0 GFADRO Cc1cc(NC(=O)C(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)cc(C)c1Br ZINC000331567375 563553556 /nfs/dbraw/zinc/55/35/56/563553556.db2.gz NWIZOBQAZPVCIV-SFHVURJKSA-N 1 0 394.313 2.607 20 0 GFADRO C[NH+]1CCN(CCNc2ccc(-c3ccc(Br)s3)nn2)CC1 ZINC000286261955 563554477 /nfs/dbraw/zinc/55/44/77/563554477.db2.gz VXZWFEKMHOKSLV-UHFFFAOYSA-N 1 0 382.331 2.627 20 0 GFADRO C[C@@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH2+]C[C@]1(O)CCOC1 ZINC000286331774 563556354 /nfs/dbraw/zinc/55/63/54/563556354.db2.gz DSEGAWGPKDFMFT-ZUZCIYMTSA-N 1 0 380.794 2.817 20 0 GFADRO CCCN(C)[C@@H](CNC(=O)C[C@@H]1CCS(=O)(=O)C1)c1ccc(Cl)cc1 ZINC000286350136 563557040 /nfs/dbraw/zinc/55/70/40/563557040.db2.gz MKTIYGRFMVILBV-YOEHRIQHSA-N 1 0 386.945 2.664 20 0 GFADRO CN(C(=O)NCC1(C)CC[NH2+]CC1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000331710023 563558794 /nfs/dbraw/zinc/55/87/94/563558794.db2.gz KFKXKQUECLOLLN-HOTGVXAUSA-N 1 0 386.323 2.983 20 0 GFADRO COCC[NH+](CCOC)C1CCN(c2ccc(Br)c(C)n2)CC1 ZINC000286427298 563559373 /nfs/dbraw/zinc/55/93/73/563559373.db2.gz QIKIOOBQKGZOES-UHFFFAOYSA-N 1 0 386.334 2.716 20 0 GFADRO C[NH+](C)CC[C@](C)(O)CNC(=O)c1ccn(-c2ccc(Cl)c(Cl)c2)n1 ZINC000431394330 563559556 /nfs/dbraw/zinc/55/95/56/563559556.db2.gz YAVKHMXDKFNXFU-KRWDZBQOSA-N 1 0 385.295 2.612 20 0 GFADRO C[C@H](NC(=O)N(C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O)[C@@H]1CCC[NH2+]C1 ZINC000331728638 563559513 /nfs/dbraw/zinc/55/95/13/563559513.db2.gz ZPMMURCEXXDWKD-YGSYIFCWSA-N 1 0 386.323 2.981 20 0 GFADRO C[N@H+](CCn1cc(Br)cn1)[C@H]1CCCN(c2ccccc2)C1=O ZINC000409447777 563560469 /nfs/dbraw/zinc/56/04/69/563560469.db2.gz GFTFJMQGZKHHQB-INIZCTEOSA-N 1 0 377.286 2.773 20 0 GFADRO COC(=O)c1csc(S(=O)(=O)N2CCC[C@H]([NH+]3[C@@H](C)CC[C@@H]3C)C2)c1 ZINC000409469508 563561363 /nfs/dbraw/zinc/56/13/63/563561363.db2.gz NHBZHSOFHIXFAR-YDHLFZDLSA-N 1 0 386.539 2.561 20 0 GFADRO C[NH+](C)[C@H]1CCCN(C(=O)CCCS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000286475728 563561389 /nfs/dbraw/zinc/56/13/89/563561389.db2.gz LEFHNDOGBZMNII-INIZCTEOSA-N 1 0 386.945 2.837 20 0 GFADRO C[NH+](C)[C@]1(CNC(=O)N[C@H]2CCN(c3cccc(Cl)c3)C2)CCSC1 ZINC000431684266 563566540 /nfs/dbraw/zinc/56/65/40/563566540.db2.gz FCDNSJXBZCFPPZ-YJBOKZPZSA-N 1 0 382.961 2.655 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)c(Br)c1 ZINC000431705638 563566896 /nfs/dbraw/zinc/56/68/96/563566896.db2.gz BCHSCIIBIHDEHM-KGLIPLIRSA-N 1 0 396.329 2.993 20 0 GFADRO CCC[N@H+](CC)CCNC(=O)C(=O)Nc1c(C)cc(C)cc1Br ZINC000431720613 563567292 /nfs/dbraw/zinc/56/72/92/563567292.db2.gz YXERWDBPYPGIED-UHFFFAOYSA-N 1 0 384.318 2.853 20 0 GFADRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1nc2ccc(Br)cn2n1 ZINC000331934168 563567658 /nfs/dbraw/zinc/56/76/58/563567658.db2.gz LXMSJHLGCNATFM-FRRDWIJNSA-N 1 0 394.317 2.588 20 0 GFADRO CC[NH+](CC)C[C@H]1CCCC[C@H]1NS(=O)(=O)c1csc(C(=O)OC)c1 ZINC000431890434 563570790 /nfs/dbraw/zinc/57/07/90/563570790.db2.gz DUQDAACMYBPYCA-UKRRQHHQSA-N 1 0 388.555 2.714 20 0 GFADRO CCc1ccc([C@H](CNC(=O)c2nn(C)cc2Br)[NH+](C)C)cc1 ZINC000432053415 563574509 /nfs/dbraw/zinc/57/45/09/563574509.db2.gz FWCLBNDMBUQPAJ-HNNXBMFYSA-N 1 0 379.302 2.778 20 0 GFADRO O=S1(=O)CCC[C@H](C[NH2+][C@@H]2CCc3c2cc(Br)cc3F)C1 ZINC000286868412 563578252 /nfs/dbraw/zinc/57/82/52/563578252.db2.gz BOFPTBPPIDKBPO-MEBBXXQBSA-N 1 0 376.291 2.990 20 0 GFADRO CS[C@@H]1CN(C(=O)C[C@@H]2Sc3ccc(Cl)cc3NC2=O)C[C@H]1[NH+](C)C ZINC000332138180 563579270 /nfs/dbraw/zinc/57/92/70/563579270.db2.gz ISOPEVGKNXQPSB-VHDGCEQUSA-N 1 0 399.969 2.647 20 0 GFADRO C[C@H]1[NH2+]CCC[C@@H]1C(=O)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000332153608 563579833 /nfs/dbraw/zinc/57/98/33/563579833.db2.gz WEPZHEGMAFZSAW-OCCSQVGLSA-N 1 0 384.307 2.666 20 0 GFADRO C[C@@H]1C[N@H+](CCCNS(=O)(=O)c2ccc(Cl)c(Cl)c2)CCCO1 ZINC000432323396 563580326 /nfs/dbraw/zinc/58/03/26/563580326.db2.gz DYLCZLDPYBLUEE-GFCCVEGCSA-N 1 0 381.325 2.773 20 0 GFADRO CC[C@@H]1CN(Cc2nc3ccc(Br)cc3o2)CC[N@@H+]1C[C@@H](C)O ZINC000332166565 563580382 /nfs/dbraw/zinc/58/03/82/563580382.db2.gz BAKIINNIXVHIKY-TZMCWYRMSA-N 1 0 382.302 2.867 20 0 GFADRO Cc1nc2sccn2c(=O)c1CC[NH2+][C@@H](CCO)c1ccc(Cl)cc1 ZINC000286947639 563580846 /nfs/dbraw/zinc/58/08/46/563580846.db2.gz MKABQUYDLVPLHR-INIZCTEOSA-N 1 0 377.897 2.974 20 0 GFADRO C[C@@H]1C[N@H+](CCCNCc2cc(Br)c3c(c2)OCCO3)CCCO1 ZINC000432368223 563582701 /nfs/dbraw/zinc/58/27/01/563582701.db2.gz OQRZMYOZKGVPPN-CQSZACIVSA-N 1 0 399.329 2.811 20 0 GFADRO COc1ccc(Br)cc1C(=O)CCC(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000432533444 563586805 /nfs/dbraw/zinc/58/68/05/563586805.db2.gz CLQFYPPMLDMOQW-BXUZGUMPSA-N 1 0 383.286 2.535 20 0 GFADRO C[C@@H]1CN(C(=O)NC2CCN(Cc3cc(Cl)cc(Cl)c3)CC2)C[C@H]1[NH3+] ZINC000332266998 563589212 /nfs/dbraw/zinc/58/92/12/563589212.db2.gz HYYXKKRFCZTCRL-SJKOYZFVSA-N 1 0 385.339 2.946 20 0 GFADRO CC(C)SCC[NH2+][C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000287154042 563589535 /nfs/dbraw/zinc/58/95/35/563589535.db2.gz SWAYATOJYLPNJS-JTQLQIEISA-N 1 0 381.361 2.889 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)N[C@H]2COc3cc(F)c(Br)cc32)C1 ZINC000332313309 563592121 /nfs/dbraw/zinc/59/21/21/563592121.db2.gz XZJOCPUTSYHQAK-RBZYPMLTSA-N 1 0 386.265 2.791 20 0 GFADRO CNC(=O)c1cccc(NC(=O)N2CC[NH+](C3CCC3)CC2)c1Br ZINC000287241600 563593004 /nfs/dbraw/zinc/59/30/04/563593004.db2.gz BYKOQFDQFOZOPH-UHFFFAOYSA-N 1 0 395.301 2.511 20 0 GFADRO O=C(Nc1ccc(F)cc1I)N[C@H]1CCCC[NH2+]C1 ZINC000332381726 563596310 /nfs/dbraw/zinc/59/63/10/563596310.db2.gz UZYBRZXFKOTRRN-JTQLQIEISA-N 1 0 377.201 2.694 20 0 GFADRO COC(=O)c1occc1C[NH2+]C[C@H](CO)Cc1ccccc1Br ZINC000432911625 563596862 /nfs/dbraw/zinc/59/68/62/563596862.db2.gz SNMATHYLHALFMM-GFCCVEGCSA-N 1 0 382.254 2.770 20 0 GFADRO C[C@@H]1CN(C(=O)N[C@H]2CCSc3ccc(Cl)cc32)C[C@H](C)[N@H+]1CCO ZINC000332398231 563597077 /nfs/dbraw/zinc/59/70/77/563597077.db2.gz XMGUOCQYPPUVOM-ZENOOKHLSA-N 1 0 383.945 2.973 20 0 GFADRO C[NH+](C)C1CCC(NC(=O)N2CCC(n3cc(Br)cn3)CC2)CC1 ZINC000332398967 563597128 /nfs/dbraw/zinc/59/71/28/563597128.db2.gz MKVXIDAMMGPOLI-UHFFFAOYSA-N 1 0 398.349 2.865 20 0 GFADRO COc1cc(C)c(Br)cc1C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000287394522 563600076 /nfs/dbraw/zinc/60/00/76/563600076.db2.gz IVCHEANCMXKJJL-CQSZACIVSA-N 1 0 397.313 2.560 20 0 GFADRO C[C@H](c1ccc(Br)cc1)[NH+]1CCC([C@@]2(C)NC(=O)NC2=O)CC1 ZINC000332466846 563600274 /nfs/dbraw/zinc/60/02/74/563600274.db2.gz SKIWPKWCKORYOI-PIGZYNQJSA-N 1 0 380.286 2.820 20 0 GFADRO C[C@@H](c1ccccc1Br)[NH+]1CCC([C@@]2(C)NC(=O)NC2=O)CC1 ZINC000332462222 563600615 /nfs/dbraw/zinc/60/06/15/563600615.db2.gz QLZVBECDICYIJS-APPDUMDISA-N 1 0 380.286 2.820 20 0 GFADRO COC(=O)c1ccc(C[NH2+]C[C@@H](CO)Cc2ccc(Br)cc2)[nH]1 ZINC000433040410 563600988 /nfs/dbraw/zinc/60/09/88/563600988.db2.gz RYPMAYCQYVKZIH-ZDUSSCGKSA-N 1 0 381.270 2.505 20 0 GFADRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)N(C)Cc2ccc(Cl)c(Cl)c2)C1 ZINC000411034018 563602619 /nfs/dbraw/zinc/60/26/19/563602619.db2.gz WTPUYDXBJYIBMN-CQSZACIVSA-N 1 0 386.323 2.893 20 0 GFADRO O=C(Nc1cc(Cl)c(Cl)cc1Cl)C(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000332560603 563604218 /nfs/dbraw/zinc/60/42/18/563604218.db2.gz QFVBXOALYQWVCP-BDAKNGLRSA-N 1 0 376.671 2.653 20 0 GFADRO O=C([C@@H]1CC[N@@H+](C[C@@H](O)COc2cc(Cl)ccc2Cl)C1)N1CCCC1 ZINC000287501362 563604448 /nfs/dbraw/zinc/60/44/48/563604448.db2.gz UCBAKLOKHGXEIW-UKRRQHHQSA-N 1 0 387.307 2.677 20 0 GFADRO O=C(Nc1cc(Cl)c(Cl)cc1Cl)C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000332569412 563605154 /nfs/dbraw/zinc/60/51/54/563605154.db2.gz VTCACEXJZJXPCH-UFBFGSQYSA-N 1 0 376.671 2.796 20 0 GFADRO [NH3+]C1CCN(C(=O)C(=O)N2CC=C(c3ccc(Cl)c(Cl)c3)CC2)CC1 ZINC000332565466 563605168 /nfs/dbraw/zinc/60/51/68/563605168.db2.gz WVKXADDLXNLOTF-UHFFFAOYSA-N 1 0 382.291 2.559 20 0 GFADRO O=C([C@H]1CC[N@@H+](C[C@H](O)c2ccc(F)c(Br)c2)C1)N1CCCC1 ZINC000287510982 563605292 /nfs/dbraw/zinc/60/52/92/563605292.db2.gz ULXVXRBUEARVEP-BBRMVZONSA-N 1 0 385.277 2.566 20 0 GFADRO CC(C)S(=O)(=O)CC(=O)N(CCC[NH+]1CCCC1)c1ccc(Cl)cc1 ZINC000411101322 563605333 /nfs/dbraw/zinc/60/53/33/563605333.db2.gz KUZMROQEYCVWKH-UHFFFAOYSA-N 1 0 386.945 2.982 20 0 GFADRO Cc1cc(N2CCC[C@@H](N3CCC[N@@H+](C)CC3)C2=O)ccc1Br ZINC000411161501 563607933 /nfs/dbraw/zinc/60/79/33/563607933.db2.gz YFJMAOUWRRMPTP-QGZVFWFLSA-N 1 0 380.330 2.890 20 0 GFADRO C[C@H](C(=O)NC[C@H]1CCCO1)[N@@H+]1CC[C@@H](Cc2ccc(Br)cc2)C1 ZINC000433292749 563608275 /nfs/dbraw/zinc/60/82/75/563608275.db2.gz ACXHZOVMAOSHPU-UWWQBHOKSA-N 1 0 395.341 2.997 20 0 GFADRO O=C([C@@H]1CC[N@@H+](Cc2cc3c(cc2Br)OCCO3)C1)N1CCCC1 ZINC000287576508 563608743 /nfs/dbraw/zinc/60/87/43/563608743.db2.gz XPJQNEOQRYHVFM-CYBMUJFWSA-N 1 0 395.297 2.665 20 0 GFADRO CN(C)S(=O)(=O)CCC[N@@H+]1CC[C@@H](Cc2ccc(Br)cc2)C1 ZINC000433301451 563609089 /nfs/dbraw/zinc/60/90/89/563609089.db2.gz VQFOWIKRVWWRAM-HNNXBMFYSA-N 1 0 389.359 2.595 20 0 GFADRO C[C@@H]([NH3+])C1CCN(C(=O)N[C@H]2CCN(c3ccccc3Br)C2)CC1 ZINC000332636345 563609077 /nfs/dbraw/zinc/60/90/77/563609077.db2.gz FKZMBVHVEDSMNU-HIFRSBDPSA-N 1 0 395.345 2.797 20 0 GFADRO Cc1cc(NC(=O)C(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)cc(F)c1Br ZINC000332646352 563609659 /nfs/dbraw/zinc/60/96/59/563609659.db2.gz ZUJCCUFKQACHTJ-AAEUAGOBSA-N 1 0 398.276 2.530 20 0 GFADRO C[C@@H]1CN(C(=O)Nc2nnc(-c3cccc(Br)c3)s2)CC[C@@H]1[NH3+] ZINC000332673809 563611077 /nfs/dbraw/zinc/61/10/77/563611077.db2.gz QAGMLSYCHXHPBY-SKDRFNHKSA-N 1 0 396.314 3.169 20 0 GFADRO C[NH+](C)C[C@@H]1CCN(C(=O)Nc2ccc3nccnc3c2Br)C1 ZINC000287640423 563611398 /nfs/dbraw/zinc/61/13/98/563611398.db2.gz JFKQLILDKPGXBM-NSHDSACASA-N 1 0 378.274 2.808 20 0 GFADRO Cc1csc([C@H]2COCCN2C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)n1 ZINC000333005832 563617645 /nfs/dbraw/zinc/61/76/45/563617645.db2.gz MUKUVQUMKAVCGH-LSDHHAIUSA-N 1 0 380.539 2.899 20 0 GFADRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)Cc1ccccc1I ZINC000433751196 563619207 /nfs/dbraw/zinc/61/92/07/563619207.db2.gz YTJKVXKBLCWWJU-ZDUSSCGKSA-N 1 0 386.277 2.634 20 0 GFADRO O=C(Nc1cc(Br)ccc1F)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000333133449 563621451 /nfs/dbraw/zinc/62/14/51/563621451.db2.gz JVSBZXKPEOSMCY-UHFFFAOYSA-N 1 0 399.308 2.926 20 0 GFADRO OC[C@H]([NH2+]Cc1c(F)c(F)c(Br)c(F)c1F)C1CCOCC1 ZINC000411504085 563621794 /nfs/dbraw/zinc/62/17/94/563621794.db2.gz LSWTWAUOWNPHBN-VIFPVBQESA-N 1 0 386.183 2.883 20 0 GFADRO CN(C)c1ncc(C[N@H+](C)CCC(=O)Nc2ccccc2Br)cn1 ZINC000411502673 563621818 /nfs/dbraw/zinc/62/18/18/563621818.db2.gz WVJUWUQXFCJREW-UHFFFAOYSA-N 1 0 392.301 2.766 20 0 GFADRO CNC(=O)NC(=O)CC[NH2+][C@H](CC(F)(F)F)c1ccc(Br)cc1 ZINC000411531398 563622231 /nfs/dbraw/zinc/62/22/31/563622231.db2.gz WZLPHVBMVFSYAI-LLVKDONJSA-N 1 0 396.207 2.878 20 0 GFADRO NC(=O)NC(=O)CC[NH2+][C@H](CC(F)(F)F)c1ccc(Br)cc1 ZINC000411524844 563622255 /nfs/dbraw/zinc/62/22/55/563622255.db2.gz LMYALCLEXWACST-SNVBAGLBSA-N 1 0 382.180 2.617 20 0 GFADRO CSc1ccc(OC[C@H](O)CN2C[C@H](SC)[C@@H]([NH+]3CCCC3)C2)cc1 ZINC000411528243 563622452 /nfs/dbraw/zinc/62/24/52/563622452.db2.gz RPRXAKSIVHNIEE-MNEFBYGVSA-N 1 0 382.595 2.660 20 0 GFADRO [NH3+][C@H]1CCO[C@@H](C2CCN(C(=O)c3cc(Br)ccc3F)CC2)C1 ZINC000333286165 563626631 /nfs/dbraw/zinc/62/66/31/563626631.db2.gz NIBOGDHDGBMTNX-XJKSGUPXSA-N 1 0 385.277 2.947 20 0 GFADRO COc1ccc(C(=O)N2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)cc1Br ZINC000333285778 563626633 /nfs/dbraw/zinc/62/66/33/563626633.db2.gz NHSRCBVAANHXIN-YOEHRIQHSA-N 1 0 397.313 2.816 20 0 GFADRO CC(C)N1C(=O)C[C@H]([NH2+]C[C@@H](C)S(C)(=O)=O)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000411638237 563627029 /nfs/dbraw/zinc/62/70/29/563627029.db2.gz ZSEMZGWLLRKAGO-PJQXDXOGSA-N 1 0 390.908 2.552 20 0 GFADRO CC(C)N1C(=O)C[C@H]([NH2+]C[C@@H](C)S(C)(=O)=O)[C@H]1c1ccc(Cl)c(F)c1 ZINC000411638241 563627121 /nfs/dbraw/zinc/62/71/21/563627121.db2.gz ZSEMZGWLLRKAGO-XQAQDONZSA-N 1 0 390.908 2.552 20 0 GFADRO C[NH+](C)C[C@@](C)(O)CNC(=O)NCc1cnc(-c2ccc(Cl)cc2)s1 ZINC000288064666 563627369 /nfs/dbraw/zinc/62/73/69/563627369.db2.gz YBFQEKHYFHNRRF-KRWDZBQOSA-N 1 0 382.917 2.575 20 0 GFADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)CCc1ncc[nH]1 ZINC000288061727 563627580 /nfs/dbraw/zinc/62/75/80/563627580.db2.gz GCQZERKSOAJNAP-UHFFFAOYSA-N 1 0 379.302 2.695 20 0 GFADRO C[C@@H](NC(=O)C(=O)N[C@@H](C)C1=CC[N@H+](C)CC1)c1cccc(Cl)c1Cl ZINC000288066695 563627698 /nfs/dbraw/zinc/62/76/98/563627698.db2.gz GKFAOXOBXQUQCY-NWDGAFQWSA-N 1 0 384.307 2.937 20 0 GFADRO CS[C@H]1CN(S(=O)(=O)c2c[nH]c3cccc(F)c32)C[C@@H]1[NH+]1CCCC1 ZINC000333318940 563628152 /nfs/dbraw/zinc/62/81/52/563628152.db2.gz KUPIQDMMNWLKSZ-GJZGRUSLSA-N 1 0 383.514 2.507 20 0 GFADRO [NH3+][C@H]1CCO[C@@H](C2CCN(C(=O)c3ccc(F)c(Br)c3)CC2)C1 ZINC000333312353 563628183 /nfs/dbraw/zinc/62/81/83/563628183.db2.gz RZUBYRMPHAWKBL-XJKSGUPXSA-N 1 0 385.277 2.947 20 0 GFADRO [NH3+][C@@H]1CCO[C@H](C2CCN(C(=O)c3cc(Br)ccc3O)CC2)C1 ZINC000333336285 563628589 /nfs/dbraw/zinc/62/85/89/563628589.db2.gz XDQJFSLUNVLQMX-CJNGLKHVSA-N 1 0 383.286 2.513 20 0 GFADRO O=C(c1c(F)cccc1Br)N1CCC(n2ncc3c2C[NH2+]C3)CC1 ZINC000333360554 563628858 /nfs/dbraw/zinc/62/88/58/563628858.db2.gz CUPNMSSYMUYDOY-UHFFFAOYSA-N 1 0 393.260 2.865 20 0 GFADRO CC(C)N(C)C(=O)CN[C@@H](CO)c1ccc(Br)cc1C(F)(F)F ZINC000411669254 563629114 /nfs/dbraw/zinc/62/91/14/563629114.db2.gz ZCHFCJDVNWVFKI-ZDUSSCGKSA-N 1 0 397.235 2.958 20 0 GFADRO Cc1cc(Br)cc(NC(=O)C(=O)NCC[C@H]2CCC[N@@H+](C)C2)c1 ZINC000411678457 563629553 /nfs/dbraw/zinc/62/95/53/563629553.db2.gz VBEPWPRPMNFCFT-CYBMUJFWSA-N 1 0 382.302 2.544 20 0 GFADRO COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000411678340 563629777 /nfs/dbraw/zinc/62/97/77/563629777.db2.gz UWURAIAFKXROBC-LLVKDONJSA-N 1 0 388.295 2.789 20 0 GFADRO CCCc1cnc(NC(=O)C(=O)N(CC[NH+](C)C)Cc2ccsc2)s1 ZINC000411694987 563630048 /nfs/dbraw/zinc/63/00/48/563630048.db2.gz OELLZOJUUIHUMP-UHFFFAOYSA-N 1 0 380.539 2.686 20 0 GFADRO CSc1ccccc1NC(=O)C(=O)N(CC[NH+](C)C)Cc1ccsc1 ZINC000411695640 563630430 /nfs/dbraw/zinc/63/04/30/563630430.db2.gz PNMLLCWFXKJYBU-UHFFFAOYSA-N 1 0 377.535 2.999 20 0 GFADRO C[NH+](C)Cc1ccc(S(=O)(=O)N2CCSC[C@H]2c2nccs2)cc1 ZINC000333443189 563632533 /nfs/dbraw/zinc/63/25/33/563632533.db2.gz MEZGQHRVMXQSRC-HNNXBMFYSA-N 1 0 383.564 2.684 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1)C(=O)NCC(F)(F)F ZINC000411749583 563632901 /nfs/dbraw/zinc/63/29/01/563632901.db2.gz OYNLRRFDGCVRRT-CUOATXAZSA-N 1 0 381.801 2.881 20 0 GFADRO CC(=O)N1CCc2sc(-c3csc(CN4CCC([NH3+])CC4)n3)cc2C1 ZINC000434660375 563634763 /nfs/dbraw/zinc/63/47/63/563634763.db2.gz YZNAMFGCRGTSLN-UHFFFAOYSA-N 1 0 376.551 2.699 20 0 GFADRO Fc1cc(Br)ccc1C1CC([NH2+][C@H]2CCc3nnnn3CC2)C1 ZINC000333520556 563634870 /nfs/dbraw/zinc/63/48/70/563634870.db2.gz KPCSVMCKRZPGTK-YDGIUTOCSA-N 1 0 380.265 2.815 20 0 GFADRO C[C@@H]1CC2(CN1S(=O)(=O)c1cc3c(c(Cl)c1)O[C@@H](C)C3)CC[NH2+]CC2 ZINC000333568262 563635978 /nfs/dbraw/zinc/63/59/78/563635978.db2.gz MBHKVPBOKIWDRE-OLZOCXBDSA-N 1 0 384.929 2.816 20 0 GFADRO C[NH+](C)C[C@@H]1CCN(C(=O)NCc2cc(F)c(F)cc2Br)C1 ZINC000288274309 563636241 /nfs/dbraw/zinc/63/62/41/563636241.db2.gz VWLKVVZUQNFOEC-JTQLQIEISA-N 1 0 376.245 2.820 20 0 GFADRO COc1ccc(Br)cc1C(=O)CCC(=O)N[C@@H]1CCC[NH2+][C@H]1C ZINC000434711947 563636495 /nfs/dbraw/zinc/63/64/95/563636495.db2.gz SVVFVOLJYUXHFU-SMDDNHRTSA-N 1 0 383.286 2.677 20 0 GFADRO Cc1c(C(=O)N2CCC[C@H]3C[NH2+]C[C@H]32)cnn1-c1ccc(Br)cc1 ZINC000333590392 563636579 /nfs/dbraw/zinc/63/65/79/563636579.db2.gz SORKOVWXTZXDQP-SUMWQHHRSA-N 1 0 389.297 2.767 20 0 GFADRO C[C@H]1CN(C(=O)NCc2cc(F)c(Cl)cc2F)CC[N@@H+]1CC(C)(C)O ZINC000434866323 563640028 /nfs/dbraw/zinc/64/00/28/563640028.db2.gz CBTDXTGNHKTYKD-NSHDSACASA-N 1 0 375.847 2.605 20 0 GFADRO COC[C@@H]1C[C@H](O)C[N@@H+]1[C@@H](C)C(=O)N[C@H](C)c1ccc(Cl)cc1Cl ZINC000411904875 563640502 /nfs/dbraw/zinc/64/05/02/563640502.db2.gz AQDHELJIKCUJPU-XWUBHJNHSA-N 1 0 375.296 2.641 20 0 GFADRO CN(C)C(=O)[C@@H]1CC[N@H+](CCOc2ccc(Cl)cc2Br)C1 ZINC000411930436 563641094 /nfs/dbraw/zinc/64/10/94/563641094.db2.gz GSKCSANDLNPWHV-LLVKDONJSA-N 1 0 375.694 2.891 20 0 GFADRO CN1CCN(S(=O)(=O)c2cc(F)ccc2Br)c2c[nH+]ccc21 ZINC000434976456 563641269 /nfs/dbraw/zinc/64/12/69/563641269.db2.gz LFYPPILJRUBHKJ-UHFFFAOYSA-N 1 0 386.246 2.628 20 0 GFADRO [NH3+][C@H]1CCCO[C@H]1C1CCN(C(=O)c2cc(F)ccc2Br)CC1 ZINC000333771297 563641901 /nfs/dbraw/zinc/64/19/01/563641901.db2.gz CBBGBZSBRSDHIB-HOTGVXAUSA-N 1 0 385.277 2.947 20 0 GFADRO O=C(C[NH2+][C@H](CO)[C@@H]1CCCOC1)Nc1c(Cl)cc(Cl)cc1Cl ZINC000411984351 563643256 /nfs/dbraw/zinc/64/32/56/563643256.db2.gz CRZVLSYKTNWDHA-NOZJJQNGSA-N 1 0 381.687 2.962 20 0 GFADRO NC(=O)[C@]1(c2ccccc2)CC[N@H+](CCOc2ccc(Br)cc2)C1 ZINC000411971116 563643356 /nfs/dbraw/zinc/64/33/56/563643356.db2.gz OFMBWTQERXNSJO-LJQANCHMSA-N 1 0 389.293 2.957 20 0 GFADRO OC[C@H]([NH2+]Cc1c(F)c(F)c(Br)c(F)c1F)[C@H]1CCCOC1 ZINC000411990142 563643381 /nfs/dbraw/zinc/64/33/81/563643381.db2.gz QTOBXGXQDOSFOM-CBAPKCEASA-N 1 0 386.183 2.883 20 0 GFADRO C[C@@H]1CCCCN1S(=O)(=O)N(Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000333853444 563643709 /nfs/dbraw/zinc/64/37/09/563643709.db2.gz OBTOZLPTTSTZOM-NVXWUHKLSA-N 1 0 383.583 2.811 20 0 GFADRO OC[C@H]([NH2+]Cc1ncc(-c2ccc(Br)cc2)o1)[C@H]1CCCOC1 ZINC000411999272 563644130 /nfs/dbraw/zinc/64/41/30/563644130.db2.gz XGJUQZVWHMRCQR-ZFWWWQNUSA-N 1 0 381.270 2.981 20 0 GFADRO Cc1cc(Br)cc(C)c1S(=O)(=O)N1CCC[C@@H]1C[NH+](C)C ZINC000435214146 563645229 /nfs/dbraw/zinc/64/52/29/563645229.db2.gz AYPNQUKGBDBIAQ-CQSZACIVSA-N 1 0 375.332 2.781 20 0 GFADRO COC(=O)[C@@H]1CSCC[N@H+](CCC(=O)Nc2ccc(OC)c(Cl)c2)C1 ZINC000412068700 563646840 /nfs/dbraw/zinc/64/68/40/563646840.db2.gz GTQJYCJYWFMTDD-LBPRGKRZSA-N 1 0 386.901 2.515 20 0 GFADRO C[C@H](C(=O)N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1)N1CCOCC1 ZINC000435354076 563648048 /nfs/dbraw/zinc/64/80/48/563648048.db2.gz KUZAYGAQVTYRPD-NEPJUHHUSA-N 1 0 377.432 2.589 20 0 GFADRO CS[C@H]1CN(S(=O)(=O)c2c(Cl)cc(F)cc2Cl)C[C@H]1[NH+](C)C ZINC000435425146 563649503 /nfs/dbraw/zinc/64/95/03/563649503.db2.gz CCRSEPBVGNAQJD-NEPJUHHUSA-N 1 0 387.329 2.799 20 0 GFADRO CC(C)[C@@H](C(=O)Nc1cc(-c2cc(F)cc(Br)c2)[nH]n1)[NH+](C)C ZINC000435467110 563651921 /nfs/dbraw/zinc/65/19/21/563651921.db2.gz CMWDZEYQTSDKMI-HNNXBMFYSA-N 1 0 383.265 3.503 20 0 GFADRO CCN(CCC[NH+](C)C)C(=O)c1ccc(I)cc1NC ZINC000412281776 563652409 /nfs/dbraw/zinc/65/24/09/563652409.db2.gz OKQALOCUHYPPTH-UHFFFAOYSA-N 1 0 389.281 2.747 20 0 GFADRO CC1(C)CN(C(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)C[C@@H](C(F)(F)F)O1 ZINC000412356278 563655238 /nfs/dbraw/zinc/65/52/38/563655238.db2.gz FZPASRJNOWADEH-KGLIPLIRSA-N 1 0 380.476 2.772 20 0 GFADRO C[NH+](C)Cc1cccc(NC(=O)NCCCn2cc(Br)cn2)c1 ZINC000288808403 563658229 /nfs/dbraw/zinc/65/82/29/563658229.db2.gz JUNSFQXEUHTBPJ-UHFFFAOYSA-N 1 0 380.290 2.919 20 0 GFADRO C[N@H+](CCn1cc(Br)cn1)C[C@H]1CCN(C(=O)c2ccccc2)C1 ZINC000288815114 563658347 /nfs/dbraw/zinc/65/83/47/563658347.db2.gz MRCQRQJPJWGBCU-OAHLLOKOSA-N 1 0 391.313 2.740 20 0 GFADRO COC(=O)CC[C@@H]([NH3+])C(=O)NCC1(c2ccc(Br)cc2)CCCC1 ZINC000288869070 563659765 /nfs/dbraw/zinc/65/97/65/563659765.db2.gz YHSLEZIMRXOXQA-OAHLLOKOSA-N 1 0 397.313 2.658 20 0 GFADRO COC(=O)CC[C@@H]([NH3+])C(=O)Nc1nc(C)c(Cc2ccccc2Cl)s1 ZINC000288869612 563660284 /nfs/dbraw/zinc/66/02/84/563660284.db2.gz YJZQFYHGAKCHCA-CYBMUJFWSA-N 1 0 381.885 2.915 20 0 GFADRO Brc1ccn2cc(-c3nc([C@H]4C[N@@H+]5CCC[C@@H]5CO4)no3)nc2c1 ZINC000288952309 563662620 /nfs/dbraw/zinc/66/26/20/563662620.db2.gz BDZICAJIEBISMI-DGCLKSJQSA-N 1 0 390.241 2.683 20 0 GFADRO COC(=O)[C@@H](c1ccc(Cl)cc1Cl)N(C)C1CC[NH+](CCO)CC1 ZINC000436152607 563665636 /nfs/dbraw/zinc/66/56/36/563665636.db2.gz NBSMJYJODGDPCO-MRXNPFEDSA-N 1 0 375.296 2.596 20 0 GFADRO COc1cc(C[NH2+]C[C@@H](O)c2cccc(Br)c2)cc(OC)c1O ZINC000289056927 563666301 /nfs/dbraw/zinc/66/63/01/563666301.db2.gz AGWPQNLMYQKTOP-CQSZACIVSA-N 1 0 382.254 2.995 20 0 GFADRO Cc1cc(Br)ccc1C[N@@H+]1CCC[C@@H]1C[C@]1(C)NC(=O)NC1=O ZINC000289228616 563672243 /nfs/dbraw/zinc/67/22/43/563672243.db2.gz CVFVZXUZPGPEPS-PBHICJAKSA-N 1 0 380.286 2.710 20 0 GFADRO Cc1c(Br)ccc(NC(=O)NCCC[N@@H+](C)CCN(C)C)c1F ZINC000436507843 563672644 /nfs/dbraw/zinc/67/26/44/563672644.db2.gz GQCXTMPSNHCHDX-UHFFFAOYSA-N 1 0 389.313 2.902 20 0 GFADRO CS(=O)(=O)c1ccc(-c2nc(C[NH2+][C@@H](CO)C3CCCC3)cs2)cc1 ZINC000289500842 563676637 /nfs/dbraw/zinc/67/66/37/563676637.db2.gz KWANHHAFWMQGHO-KRWDZBQOSA-N 1 0 380.535 2.854 20 0 GFADRO O=c1ccc(Br)cn1CCc1nc(-c2ccn3c[nH+]cc3c2)no1 ZINC000351111064 563682016 /nfs/dbraw/zinc/68/20/16/563682016.db2.gz WGMQKRVXYFLGNL-UHFFFAOYSA-N 1 0 386.209 2.551 20 0 GFADRO Cc1ccc(Br)c(CNC(=O)NCCCC[NH+]2CCOCC2)c1 ZINC000413116101 563682211 /nfs/dbraw/zinc/68/22/11/563682211.db2.gz VNKWNKAMCKXIOX-UHFFFAOYSA-N 1 0 384.318 2.669 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)c2cc(I)ccc2O)C1 ZINC000436937851 563685974 /nfs/dbraw/zinc/68/59/74/563685974.db2.gz JQVVBXBTNHVAAO-VXGBXAGGSA-N 1 0 388.249 2.599 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000360455637 563692645 /nfs/dbraw/zinc/69/26/45/563692645.db2.gz RWSRJGBJFBZYPO-BPLDGKMQSA-N 1 0 393.336 2.866 20 0 GFADRO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000289981510 563693597 /nfs/dbraw/zinc/69/35/97/563693597.db2.gz OAXIHXBJYCLCTC-JQFCIGGWSA-N 1 0 380.330 2.780 20 0 GFADRO Cc1cc(Br)ccc1CC(=O)NC[C@@H]1CCC[C@H]1[NH+]1CCOCC1 ZINC000360674138 563693774 /nfs/dbraw/zinc/69/37/74/563693774.db2.gz SLFBHJJPOXUNOJ-FUHWJXTLSA-N 1 0 395.341 2.917 20 0 GFADRO O=S1(=O)CCC[C@@H](C[NH2+]Cc2ccc(Br)c3cccnc23)C1 ZINC000290068378 563696672 /nfs/dbraw/zinc/69/66/72/563696672.db2.gz HUYHMQPFDIKJJQ-LBPRGKRZSA-N 1 0 383.311 2.912 20 0 GFADRO O=C(NCC[N@@H+]1CCCOCC1)NCc1cccc(Br)c1Cl ZINC000413563361 563697288 /nfs/dbraw/zinc/69/72/88/563697288.db2.gz BWJXIJVXJXITFL-UHFFFAOYSA-N 1 0 390.709 2.624 20 0 GFADRO O=C(Cc1ccc(Br)c(F)c1)NC[C@@H]1CCC[C@H]1[NH+]1CCOCC1 ZINC000361795205 563701116 /nfs/dbraw/zinc/70/11/16/563701116.db2.gz BBTMBIQWPQKCDX-WMLDXEAASA-N 1 0 399.304 2.748 20 0 GFADRO CCSc1ccc(Cl)cc1C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000438066257 563701236 /nfs/dbraw/zinc/70/12/36/563701236.db2.gz ZYIHXZGWEMMTBF-CYBMUJFWSA-N 1 0 383.945 2.769 20 0 GFADRO COc1ccc(CNC(=O)C2([NH3+])Cc3ccccc3C2)cc1Br ZINC000361730495 563701529 /nfs/dbraw/zinc/70/15/29/563701529.db2.gz XTTXFXTVCUZEDW-UHFFFAOYSA-N 1 0 375.266 2.570 20 0 GFADRO O=C1C[C@H]([C@H]2CCCC[N@H+]2Cc2cc3c(c(Br)c2)OCO3)CN1 ZINC000362076579 563703571 /nfs/dbraw/zinc/70/35/71/563703571.db2.gz HIBRRLQLRGPXDD-GXTWGEPZSA-N 1 0 381.270 2.668 20 0 GFADRO COCCN(CC[NH+](C)C)C(=O)N[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000438361888 563704326 /nfs/dbraw/zinc/70/43/26/563704326.db2.gz YFILFWZYYLLWEY-JKSUJKDBSA-N 1 0 384.318 2.525 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cn(-c2ccc(Br)cc2)cn1 ZINC000362178197 563704690 /nfs/dbraw/zinc/70/46/90/563704690.db2.gz MSXOZWRWGZJYPQ-GDBMZVCRSA-N 1 0 389.297 2.991 20 0 GFADRO O=C(Nc1cnc2c(c1)C[NH2+]CC2)c1cc(F)ccc1I ZINC000362281418 563705656 /nfs/dbraw/zinc/70/56/56/563705656.db2.gz OZGYKHKVSWTEDL-UHFFFAOYSA-N 1 0 397.191 2.723 20 0 GFADRO CN1C(=O)N[C@]2(CCC[C@H]2C[NH2+]Cc2cnc(-c3cccs3)s2)C1=O ZINC000362840732 563710620 /nfs/dbraw/zinc/71/06/20/563710620.db2.gz QVCWIGOLEOJABE-GTNSWQLSSA-N 1 0 376.507 2.682 20 0 GFADRO COc1cc(C[NH2+][C@@H](CO)c2cccc(Br)c2)cc(OC)c1O ZINC000290480257 563711216 /nfs/dbraw/zinc/71/12/16/563711216.db2.gz VHKSJTZSZDRVBJ-AWEZNQCLSA-N 1 0 382.254 2.995 20 0 GFADRO CNS(=O)(=O)CC[NH2+]Cc1ccc(OCc2c(F)cccc2Cl)cc1 ZINC000438920088 563713063 /nfs/dbraw/zinc/71/30/63/563713063.db2.gz OSZOSPHQWRSGHY-UHFFFAOYSA-N 1 0 386.876 2.697 20 0 GFADRO CCOc1ccc(S(=O)(=O)N(CC[NH+](C)C)C(C)C)cc1Br ZINC000438955532 563714004 /nfs/dbraw/zinc/71/40/04/563714004.db2.gz UMBVBTPLTMWANZ-UHFFFAOYSA-N 1 0 393.347 2.809 20 0 GFADRO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]CCOc1ccc(Cl)cn1 ZINC000414088233 563718678 /nfs/dbraw/zinc/71/86/78/563718678.db2.gz JEYZEICXWMRHTR-NSHDSACASA-N 1 0 386.677 2.716 20 0 GFADRO CC(C)n1cc2c(n1)C[C@H]([NH2+][C@@H](C)Cn1cc(Br)ccc1=O)CC2 ZINC000414095400 563719005 /nfs/dbraw/zinc/71/90/05/563719005.db2.gz PJLZJYCYDSVGKL-XJKSGUPXSA-N 1 0 393.329 2.924 20 0 GFADRO COCCC[N@@H+]1CCCN(C(=O)c2ccc(Br)cc2OC)CC1 ZINC000363343488 563720172 /nfs/dbraw/zinc/72/01/72/563720172.db2.gz UWBYYPSOJSWBSH-UHFFFAOYSA-N 1 0 385.302 2.642 20 0 GFADRO CCC[NH+]1CCC(CNS(=O)(=O)c2ccc(F)c(Br)c2)CC1 ZINC000439251750 563721475 /nfs/dbraw/zinc/72/14/75/563721475.db2.gz XFCPTBAYGHRAFI-UHFFFAOYSA-N 1 0 393.322 2.989 20 0 GFADRO C[C@@H]([NH2+]C[C@H](CO)Cc1cc(F)cc(Br)c1)c1ccc(=O)[nH]n1 ZINC000414190564 563721706 /nfs/dbraw/zinc/72/17/06/563721706.db2.gz RIIIKSKKYWOORW-ZYHUDNBSSA-N 1 0 384.249 2.586 20 0 GFADRO CCC[N@@H+]1CCCN(C(=O)CCN2C(=S)N=NC2c2cccs2)CC1 ZINC000363409464 563721863 /nfs/dbraw/zinc/72/18/63/563721863.db2.gz RODWKUCRKJTYDA-UHFFFAOYSA-N 1 0 379.555 2.630 20 0 GFADRO C[C@@H]([NH2+]CC1(N2CCOCC2)CCOCC1)c1ccccc1Br ZINC000414186839 563722023 /nfs/dbraw/zinc/72/20/23/563722023.db2.gz PKXWHJQABOEVDT-OAHLLOKOSA-N 1 0 383.330 2.981 20 0 GFADRO CC(=O)NC1CCN(C(=O)C2CC[NH+](Cc3ccc(Cl)s3)CC2)CC1 ZINC000363440620 563723032 /nfs/dbraw/zinc/72/30/32/563723032.db2.gz BNEIAEKSBDAEEM-UHFFFAOYSA-N 1 0 383.945 2.741 20 0 GFADRO C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]CCC(C)(C)S(C)(=O)=O ZINC000414244012 563723443 /nfs/dbraw/zinc/72/34/43/563723443.db2.gz AHDDNCXWLBBDEE-CQSZACIVSA-N 1 0 388.961 2.880 20 0 GFADRO Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000290838516 563723596 /nfs/dbraw/zinc/72/35/96/563723596.db2.gz ICPSDYOPZXOODU-FOSCPWQOSA-N 1 0 378.826 2.947 20 0 GFADRO O[C@@H](COc1cc(F)cc(Br)c1)C[N@@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000439431076 563723707 /nfs/dbraw/zinc/72/37/07/563723707.db2.gz LHQRBRGGXIIJAE-IUODEOHRSA-N 1 0 398.276 2.931 20 0 GFADRO OC[C@@H]([NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1)c1ccccc1 ZINC000439427243 563723872 /nfs/dbraw/zinc/72/38/72/563723872.db2.gz CRSXCBOHWUQWTR-NVXWUHKLSA-N 1 0 384.245 2.651 20 0 GFADRO CCC(CC)[C@@H](CNCc1ccc(S(N)(=O)=O)c(Cl)c1)[NH+]1CCCC1 ZINC000414268767 563724210 /nfs/dbraw/zinc/72/42/10/563724210.db2.gz KFHJDSAOKCJUPZ-QGZVFWFLSA-N 1 0 387.977 2.978 20 0 GFADRO CC(C)(C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccc(Br)cc1 ZINC000363487189 563724449 /nfs/dbraw/zinc/72/44/49/563724449.db2.gz JQYQRYBZHYTLCI-HOTGVXAUSA-N 1 0 381.314 2.706 20 0 GFADRO CC(C)[C@@H](CNCc1ccc(S(N)(=O)=O)c(Cl)c1)[NH+]1CCC(C)CC1 ZINC000414279153 563724621 /nfs/dbraw/zinc/72/46/21/563724621.db2.gz YLZKUHHLQOIELY-QGZVFWFLSA-N 1 0 387.977 2.834 20 0 GFADRO OCC[C@@H]([NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1)c1ccco1 ZINC000439440024 563724644 /nfs/dbraw/zinc/72/46/44/563724644.db2.gz PHBHDMZRPMXCOS-UKRRQHHQSA-N 1 0 388.233 2.634 20 0 GFADRO C[N@H+](C[C@H](O)COc1cc(F)cc(Br)c1)CC1(O)CCCC1 ZINC000439434876 563724657 /nfs/dbraw/zinc/72/46/57/563724657.db2.gz FHMJDPKVFTYCDX-AWEZNQCLSA-N 1 0 376.266 2.565 20 0 GFADRO CC[NH+](CC)[C@H](CNCc1ccc(S(N)(=O)=O)c(Cl)c1)CC(C)C ZINC000414275285 563724743 /nfs/dbraw/zinc/72/47/43/563724743.db2.gz RJQVEQJKTSTAPR-HNNXBMFYSA-N 1 0 375.966 2.834 20 0 GFADRO CCn1c(SCC(=O)N[C@H](C)C[N@H+](C)C(C)C)nnc1-c1cccs1 ZINC000290894518 563725004 /nfs/dbraw/zinc/72/50/04/563725004.db2.gz GHFOICVIWLCGIN-CYBMUJFWSA-N 1 0 381.571 2.964 20 0 GFADRO CC[N@@H+]1CCCN(C(=O)c2ccn(-c3cccc(Br)c3)n2)CC1 ZINC000363516761 563725378 /nfs/dbraw/zinc/72/53/78/563725378.db2.gz BXWGQFVFVBTXFL-UHFFFAOYSA-N 1 0 377.286 2.803 20 0 GFADRO Brc1cccc(-c2c[nH]c(CNC[C@@H]3C[N@@H+]4CCC[C@H]4CO3)n2)c1 ZINC000363525286 563725424 /nfs/dbraw/zinc/72/54/24/563725424.db2.gz MQDJSGVJYZMVTB-JKSUJKDBSA-N 1 0 391.313 2.792 20 0 GFADRO CCC[N@H+](C[C@@H](O)COc1cc(F)cc(Br)c1)CC(C)(C)O ZINC000439451136 563725927 /nfs/dbraw/zinc/72/59/27/563725927.db2.gz LPCUGBSRJRBXBD-CQSZACIVSA-N 1 0 378.282 2.811 20 0 GFADRO CO[C@@H](C[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1)c1ccccc1 ZINC000414315187 563726320 /nfs/dbraw/zinc/72/63/20/563726320.db2.gz MGJKLMXVYZFBAS-HNNXBMFYSA-N 1 0 399.310 2.574 20 0 GFADRO C[C@@H](Cc1ccc(O)cc1)[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000414322324 563726405 /nfs/dbraw/zinc/72/64/05/563726405.db2.gz FODSQZABODUAJY-NSHDSACASA-N 1 0 399.310 2.523 20 0 GFADRO CC(C)(C)[NH2+]CCNC(=O)[C@@H](c1ccc(Cl)cc1Cl)N1CCOCC1 ZINC000439493449 563727243 /nfs/dbraw/zinc/72/72/43/563727243.db2.gz OTKOOYHEPPPXLQ-MRXNPFEDSA-N 1 0 388.339 2.871 20 0 GFADRO CC(C)NC(=O)[C@H](C)[NH2+]C1CCN(Cc2ccccc2Br)CC1 ZINC000414337917 563727569 /nfs/dbraw/zinc/72/75/69/563727569.db2.gz IJOBPQJOMJEMEO-AWEZNQCLSA-N 1 0 382.346 2.916 20 0 GFADRO CCS(=O)(=O)CCC[NH2+][C@@H](C)CC(=O)Nc1ccc(Br)cc1 ZINC000414348863 563728159 /nfs/dbraw/zinc/72/81/59/563728159.db2.gz SFAGWSLCZQWXRP-LBPRGKRZSA-N 1 0 391.331 2.581 20 0 GFADRO CC[C@@H]([NH2+]CCCCn1cc(C(N)=O)nn1)c1ccc(Br)cc1 ZINC000414347217 563728338 /nfs/dbraw/zinc/72/83/38/563728338.db2.gz GXDPXKUMIYQJFA-CQSZACIVSA-N 1 0 380.290 2.661 20 0 GFADRO CC(C)NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(F)c(I)c1 ZINC000414350754 563728528 /nfs/dbraw/zinc/72/85/28/563728528.db2.gz UVBDFBUHFAHKJM-UWVGGRQHSA-N 1 0 378.229 2.994 20 0 GFADRO C[NH+]1CCC(Oc2cc(NC(=O)c3cccc(Br)n3)ccn2)CC1 ZINC000363668261 563730361 /nfs/dbraw/zinc/73/03/61/563730361.db2.gz CTSDHOFGJJABQI-UHFFFAOYSA-N 1 0 391.269 2.964 20 0 GFADRO CS[C@H]1CCC[C@H]([NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)C1 ZINC000414392608 563733045 /nfs/dbraw/zinc/73/30/45/563733045.db2.gz MZOYGJAUTQRQLM-RYUDHWBXSA-N 1 0 393.372 2.860 20 0 GFADRO C[C@H](C[S@](C)=O)[NH2+][C@H]1CCCOc2ccc(I)cc21 ZINC000363808951 563734201 /nfs/dbraw/zinc/73/42/01/563734201.db2.gz APRGCRAHQDCCQE-KRDDEPHXSA-N 1 0 393.290 2.862 20 0 GFADRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NS(=O)(=O)c1ccc(Br)s1 ZINC000440079348 563735731 /nfs/dbraw/zinc/73/57/31/563735731.db2.gz XKHVFDSUWXCSIX-QWRGUYRKSA-N 1 0 381.361 2.909 20 0 GFADRO Cc1cc(C[NH2+][C@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)ccc1C(F)(F)F ZINC000414438673 563737443 /nfs/dbraw/zinc/73/74/43/563737443.db2.gz VYJBCQKSQNLEMV-HOCLYGCPSA-N 1 0 377.428 2.840 20 0 GFADRO COC(=O)c1cc(C[NH2+]CC(=O)Nc2ccc(Br)c(C)c2)c[nH]1 ZINC000440330083 563739403 /nfs/dbraw/zinc/73/94/03/563739403.db2.gz TUTSNLVQLZDWFM-UHFFFAOYSA-N 1 0 380.242 2.601 20 0 GFADRO CC(C)c1ccc([C@@H]([NH3+])CNS(=O)(=O)c2cncc(Br)c2)cc1 ZINC000440355177 563739872 /nfs/dbraw/zinc/73/98/72/563739872.db2.gz LJYWXONPHINWQE-INIZCTEOSA-N 1 0 398.326 2.946 20 0 GFADRO Cn1nccc1S(=O)(=O)N(CCC[NH+]1CCCC1)c1ccc(Cl)cc1 ZINC000414458380 563740095 /nfs/dbraw/zinc/74/00/95/563740095.db2.gz HGDRXMSIYPNBNL-UHFFFAOYSA-N 1 0 382.917 2.755 20 0 GFADRO COc1cc(C)c(Br)cc1S(=O)(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000440354722 563740225 /nfs/dbraw/zinc/74/02/25/563740225.db2.gz LGNIBGADHCISPZ-NSHDSACASA-N 1 0 391.331 2.514 20 0 GFADRO O=S(=O)(N[C@@H]1CCC[NH2+]C1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000440357931 563740314 /nfs/dbraw/zinc/74/03/14/563740314.db2.gz MKAIFUIRMFABRO-SNVBAGLBSA-N 1 0 376.322 2.755 20 0 GFADRO Cc1c(S(=O)(=O)N(C)CC[C@H]([NH3+])C(C)C)cnn1-c1ccc(Cl)cc1 ZINC000440419849 563741319 /nfs/dbraw/zinc/74/13/19/563741319.db2.gz WBYZEYNLWYGGGJ-INIZCTEOSA-N 1 0 384.933 2.828 20 0 GFADRO COCC(COC)[NH+]1CCN(Cc2ccc(OC(F)F)c(Cl)c2)CC1 ZINC000414469704 563742359 /nfs/dbraw/zinc/74/23/59/563742359.db2.gz HBCOJHNRQHBFNO-UHFFFAOYSA-N 1 0 378.847 2.720 20 0 GFADRO O=C([C@@H]1C[C@@H]1c1ccc(Br)cc1)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000364110657 563743029 /nfs/dbraw/zinc/74/30/29/563743029.db2.gz JNQLTBHCTMXPKJ-BRSBDYLESA-N 1 0 393.325 2.610 20 0 GFADRO CCCOc1c(Br)cc(C[NH2+]C2(C(=O)N(C)C)CC2)cc1OC ZINC000414480369 563743457 /nfs/dbraw/zinc/74/34/57/563743457.db2.gz CTWJFSHYVFCWPI-UHFFFAOYSA-N 1 0 385.302 2.957 20 0 GFADRO C[C@H]([NH3+])C1CCN(C(=O)[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)CC1 ZINC000364118900 563744113 /nfs/dbraw/zinc/74/41/13/563744113.db2.gz IDRIPKSEEKGTQW-SMDDNHRTSA-N 1 0 384.307 2.932 20 0 GFADRO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+]Cc2cc(C(=O)OC)n(C)c2)c1 ZINC000414495260 563744423 /nfs/dbraw/zinc/74/44/23/563744423.db2.gz MXVMUZNZSBYTAY-UHFFFAOYSA-N 1 0 384.885 2.549 20 0 GFADRO CCC(CC)[C@@H](CNC(=O)C(=O)Nc1ncc(C(F)(F)F)s1)[NH+](C)C ZINC000291507141 563745355 /nfs/dbraw/zinc/74/53/55/563745355.db2.gz OEDNUDLTCYBLFS-SNVBAGLBSA-N 1 0 380.436 2.583 20 0 GFADRO [NH3+][C@H]1CCC[C@]12CCN(C(=O)c1c(F)cccc1I)C2 ZINC000364264003 563747748 /nfs/dbraw/zinc/74/77/48/563747748.db2.gz XVKRGBRXJKIVJJ-SWLSCSKDSA-N 1 0 388.224 2.774 20 0 GFADRO [NH3+]C[C@@H]1CCCN(S(=O)(=O)c2cc(Cl)c(Br)cc2F)C1 ZINC000440743218 563748800 /nfs/dbraw/zinc/74/88/00/563748800.db2.gz XLWVHYOSNHYFTP-QMMMGPOBSA-N 1 0 385.686 2.601 20 0 GFADRO C[C@H]1CCCN(C(=O)Nc2nnc(SCc3ccccc3)s2)[C@H]1C[NH3+] ZINC000414714880 563750709 /nfs/dbraw/zinc/75/07/09/563750709.db2.gz WBMZNJRZZMZKCR-JSGCOSHPSA-N 1 0 377.539 3.422 20 0 GFADRO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000440812770 563751132 /nfs/dbraw/zinc/75/11/32/563751132.db2.gz WNKPJSSEOWSPNQ-KBPBESRZSA-N 1 0 390.933 2.503 20 0 GFADRO CC(C)C[C@H]([NH3+])CN1CCC(C(=O)Nc2ccc(Br)cn2)CC1 ZINC000414750749 563751540 /nfs/dbraw/zinc/75/15/40/563751540.db2.gz RQDNJXALIGSCLN-HNNXBMFYSA-N 1 0 383.334 2.868 20 0 GFADRO C[C@@H](CO)[N@@H+]1CCCN(C(=O)Nc2cc(F)cc(F)c2Br)CC1 ZINC000364389078 563752362 /nfs/dbraw/zinc/75/23/62/563752362.db2.gz XFDVRXDXTIOZSH-JTQLQIEISA-N 1 0 392.244 2.648 20 0 GFADRO C[C@H]1C[C@@H](C[NH3+])CN1S(=O)(=O)c1cc(Cl)c(Br)cc1F ZINC000440849766 563752596 /nfs/dbraw/zinc/75/25/96/563752596.db2.gz YFYXUOYZZFZYGO-YUMQZZPRSA-N 1 0 385.686 2.599 20 0 GFADRO [NH3+]CC[C@H](NC(=O)Nc1ccc(S(=O)(=O)C2CCCC2)cc1)C(F)F ZINC000414839837 563753575 /nfs/dbraw/zinc/75/35/75/563753575.db2.gz WPMXYSVVOYYJNG-AWEZNQCLSA-N 1 0 375.441 2.507 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)N1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000414905841 563754219 /nfs/dbraw/zinc/75/42/19/563754219.db2.gz PAOFMMCJLIPACR-CYBMUJFWSA-N 1 0 382.302 2.977 20 0 GFADRO COC[C@@]1(CNCc2cc(Br)ccc2OC(F)F)CCC[NH2+]1 ZINC000414945907 563755243 /nfs/dbraw/zinc/75/52/43/563755243.db2.gz RKLQEWHVUKTNMW-HNNXBMFYSA-N 1 0 379.245 2.909 20 0 GFADRO CC(C)CNC(=O)c1ccc(NC(=O)N[C@@H](CC[NH3+])C(F)F)cc1Cl ZINC000414946572 563755306 /nfs/dbraw/zinc/75/53/06/563755306.db2.gz SSDUQLAWFFZRHB-ZDUSSCGKSA-N 1 0 376.835 2.830 20 0 GFADRO CC[NH+]1CCN(CCC(=O)Nc2ccc(Cl)cc2OCC(F)F)CC1 ZINC000291728548 563755854 /nfs/dbraw/zinc/75/58/54/563755854.db2.gz NKSHJSZRHFJXME-UHFFFAOYSA-N 1 0 375.847 2.950 20 0 GFADRO CC[NH2+]CCNC(=O)Nc1ccc(=O)n(Cc2ccc(Cl)c(Cl)c2)c1 ZINC000415057652 563758070 /nfs/dbraw/zinc/75/80/70/563758070.db2.gz RYPFFFNVOHZDRT-UHFFFAOYSA-N 1 0 383.279 2.934 20 0 GFADRO CC[C@@H]1C[C@@H](C[NH2+]CCNS(=O)(=O)c2ccc(Cl)cc2F)CCO1 ZINC000441342162 563758261 /nfs/dbraw/zinc/75/82/61/563758261.db2.gz RFYXBBQUCZENMN-GXTWGEPZSA-N 1 0 378.897 2.552 20 0 GFADRO CN(CC[C@H]1CCCC[N@@H+]1C)C[C@H](O)COc1ccc(Br)cc1 ZINC000441348561 563758382 /nfs/dbraw/zinc/75/83/82/563758382.db2.gz CNBBOUKKHOFVAH-SJORKVTESA-N 1 0 385.346 2.995 20 0 GFADRO C[C@@H](COc1ccc2cc(Br)ccc2c1)[NH2+]C[C@@H]1CNCCO1 ZINC000415096458 563758854 /nfs/dbraw/zinc/75/88/54/563758854.db2.gz PZRJZINILSZJGP-UGSOOPFHSA-N 1 0 379.298 2.948 20 0 GFADRO COc1ccc(I)c(NC(=O)N2CCCC[C@@H]2C[NH3+])c1 ZINC000415074772 563758914 /nfs/dbraw/zinc/75/89/14/563758914.db2.gz PVBNMSVRVAAPMP-SNVBAGLBSA-N 1 0 389.237 2.645 20 0 GFADRO Brc1ccc(OCc2ccccn2)c(CNC[C@H]2C[NH2+]CCO2)c1 ZINC000415099951 563758960 /nfs/dbraw/zinc/75/89/60/563758960.db2.gz ZTLDTCOEGDNGDL-QGZVFWFLSA-N 1 0 392.297 2.501 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)Nc2cc(F)c(I)c(F)c2)CC[NH2+]1 ZINC000415114396 563759388 /nfs/dbraw/zinc/75/93/88/563759388.db2.gz GDSOTSUDKHHAKV-SFYZADRCSA-N 1 0 395.191 2.831 20 0 GFADRO O=C1N[C@@H]2CN(Cc3c(Cl)cccc3Cl)CC[C@@H]2N1C1CC[NH2+]CC1 ZINC000415140948 563760257 /nfs/dbraw/zinc/76/02/57/563760257.db2.gz OCFZWRAOTZHRBE-SJORKVTESA-N 1 0 383.323 2.714 20 0 GFADRO Cc1cc(Br)c(S(=O)(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)s1 ZINC000291816952 563760353 /nfs/dbraw/zinc/76/03/53/563760353.db2.gz DUTWPGGFMKXNOB-CYBMUJFWSA-N 1 0 379.345 2.535 20 0 GFADRO CCOc1ccc(Br)cc1NC(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000415129560 563760333 /nfs/dbraw/zinc/76/03/33/563760333.db2.gz VABGPJYXKBYBSK-GFCCVEGCSA-N 1 0 378.217 2.967 20 0 GFADRO O=C1N[C@H]2CN(Cc3ccc(Cl)cc3Cl)CC[C@@H]2N1C1CC[NH2+]CC1 ZINC000415134374 563760508 /nfs/dbraw/zinc/76/05/08/563760508.db2.gz DQNGCDZPDGRIEC-IRXDYDNUSA-N 1 0 383.323 2.714 20 0 GFADRO O=C1N[C@@H]2CN(Cc3cccc(Cl)c3Cl)CC[C@H]2N1C1CC[NH2+]CC1 ZINC000415142376 563761209 /nfs/dbraw/zinc/76/12/09/563761209.db2.gz RHODCARICUSXPC-HZPDHXFCSA-N 1 0 383.323 2.714 20 0 GFADRO C[C@@H]1CN(C(=O)Nc2cc(Br)cnc2OCC(F)(F)F)CC[NH2+]1 ZINC000415182317 563761962 /nfs/dbraw/zinc/76/19/62/563761962.db2.gz YSUMINAQZDFXFL-MRVPVSSYSA-N 1 0 397.195 2.611 20 0 GFADRO O=C(NCCN1CC[NH2+]CC1)Nc1cccc(Cl)c1SCC(F)F ZINC000415198506 563762370 /nfs/dbraw/zinc/76/23/70/563762370.db2.gz XLOJINDLUCKYLH-UHFFFAOYSA-N 1 0 378.876 2.724 20 0 GFADRO CCO[C@H](CC[NH+](C)C)CNS(=O)(=O)c1c(Cl)ccc(C)c1Cl ZINC000441549611 563762355 /nfs/dbraw/zinc/76/23/55/563762355.db2.gz YJFMLLBWYWKABB-GFCCVEGCSA-N 1 0 383.341 2.937 20 0 GFADRO CN1CC[NH2+]C[C@@H]1CNC(=O)Nc1cccc(Cl)c1SCC(F)F ZINC000415197456 563762483 /nfs/dbraw/zinc/76/24/83/563762483.db2.gz UUSFIYQVGZGJNE-SNVBAGLBSA-N 1 0 378.876 2.722 20 0 GFADRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)Nc1cc(F)c(F)cc1I ZINC000415225081 563762886 /nfs/dbraw/zinc/76/28/86/563762886.db2.gz BLTKVUKTMXEGEX-JGVFFNPUSA-N 1 0 395.191 2.784 20 0 GFADRO CC(C)([NH3+])CNC(=O)Nc1ccc(CCn2cc(Br)cn2)cc1 ZINC000415215728 563763114 /nfs/dbraw/zinc/76/31/14/563763114.db2.gz SDXFNHUYLOSGDO-UHFFFAOYSA-N 1 0 380.290 2.747 20 0 GFADRO [NH3+][C@@H](CNC(=O)Nc1ccc(CCn2cc(Br)cn2)cc1)C1CC1 ZINC000415217186 563763221 /nfs/dbraw/zinc/76/32/21/563763221.db2.gz VGMNKXLWTJADLS-INIZCTEOSA-N 1 0 392.301 2.747 20 0 GFADRO O=C(Nc1ccc(F)cc1I)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000415255708 563764034 /nfs/dbraw/zinc/76/40/34/563764034.db2.gz VSPSNYNHVSZJDS-UWVGGRQHSA-N 1 0 389.212 2.504 20 0 GFADRO O=C(NCCC[NH2+]C1CC1)Nc1ccc(F)cc1I ZINC000415253066 563764136 /nfs/dbraw/zinc/76/41/36/563764136.db2.gz PEQIDKDKCPYJBV-UHFFFAOYSA-N 1 0 377.201 2.694 20 0 GFADRO O=C(Nc1ccc(F)cc1I)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000415255710 563764324 /nfs/dbraw/zinc/76/43/24/563764324.db2.gz VSPSNYNHVSZJDS-ZJUUUORDSA-N 1 0 389.212 2.504 20 0 GFADRO CC1(C)C[NH2+]CC[C@@H]1NC(=O)Nc1ccc(F)cc1I ZINC000415253591 563764292 /nfs/dbraw/zinc/76/42/92/563764292.db2.gz QDJOIIZUVAOMNR-LBPRGKRZSA-N 1 0 391.228 2.940 20 0 GFADRO [NH3+][C@@H]1CCCN(C(=O)C(=O)Nc2ccc(Br)c(Cl)c2Cl)C1 ZINC000415273532 563764828 /nfs/dbraw/zinc/76/48/28/563764828.db2.gz VPGODTGFINFCLG-SSDOTTSWSA-N 1 0 395.084 2.644 20 0 GFADRO C[NH2+]C[C@@H](C)CNC(=O)Nc1ccc(Cl)cc1I ZINC000415281501 563765310 /nfs/dbraw/zinc/76/53/10/563765310.db2.gz IVMSIRKSWAHBOV-MRVPVSSYSA-N 1 0 381.645 2.922 20 0 GFADRO O=C(NCCCN1CC[NH2+]CC1)Nc1ccc(Cl)c(Br)c1 ZINC000415282361 563765447 /nfs/dbraw/zinc/76/54/47/563765447.db2.gz LYRFVUOWMQFOFM-UHFFFAOYSA-N 1 0 375.698 2.519 20 0 GFADRO CCOC(=O)c1c(NC(=O)N[C@H](CC[NH3+])C(F)F)sc2c1CCSC2 ZINC000415342674 563768283 /nfs/dbraw/zinc/76/82/83/563768283.db2.gz REIZBFDSLSUNBE-SECBINFHSA-N 1 0 393.481 2.818 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ccc(C(F)(F)F)cc2Cl)CC[N@@H+]1C ZINC000442151817 563768689 /nfs/dbraw/zinc/76/86/89/563768689.db2.gz QVKNIHREBLGIOY-KOLCDFICSA-N 1 0 377.794 2.896 20 0 GFADRO Cc1cc(Br)c(F)cc1NC(=O)N1CCC[N@@H+]([C@H](C)CO)CC1 ZINC000364930369 563768790 /nfs/dbraw/zinc/76/87/90/563768790.db2.gz FCGCEUDVKWLXQK-GFCCVEGCSA-N 1 0 388.281 2.817 20 0 GFADRO [NH3+][C@H]1CN(S(=O)(=O)c2ccc(Cl)nc2Cl)C[C@@H]1c1ccc(F)cc1 ZINC000364911083 563768810 /nfs/dbraw/zinc/76/88/10/563768810.db2.gz GUHHCUSYHVLWRK-NEPJUHHUSA-N 1 0 390.267 2.643 20 0 GFADRO O=C(Nc1cccc(F)c1I)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000415364239 563770515 /nfs/dbraw/zinc/77/05/15/563770515.db2.gz RSPQIEWJXKLDLU-MWLCHTKSSA-N 1 0 389.212 2.646 20 0 GFADRO Cc1cc(Br)ccc1CC(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000364994491 563771197 /nfs/dbraw/zinc/77/11/97/563771197.db2.gz LQESMDKMOIDUME-QGZVFWFLSA-N 1 0 394.357 2.585 20 0 GFADRO Cc1cc(Cl)cc(NC(=O)C(=O)NC2CCC([NH3+])CC2)c1Br ZINC000415375228 563771412 /nfs/dbraw/zinc/77/14/12/563771412.db2.gz WNTIYDMTTCVSBW-UHFFFAOYSA-N 1 0 388.693 2.736 20 0 GFADRO Cc1cc(F)c(NC(=O)N2CC[C@@H](C[NH3+])C2)c(I)c1 ZINC000415391979 563771770 /nfs/dbraw/zinc/77/17/70/563771770.db2.gz MUWLSCJURIFJMZ-VIFPVBQESA-N 1 0 377.201 2.551 20 0 GFADRO C[C@H]([NH3+])C1CCN(C(=O)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000415384518 563772084 /nfs/dbraw/zinc/77/20/84/563772084.db2.gz MVYNAGUWRCVXDC-VIFPVBQESA-N 1 0 377.794 2.883 20 0 GFADRO C[NH2+]C[C@H]1CCCN1C(=O)Nc1c(F)cc(C)cc1I ZINC000415394440 563772332 /nfs/dbraw/zinc/77/23/32/563772332.db2.gz QPQWCLAWZWGNSC-SNVBAGLBSA-N 1 0 391.228 2.954 20 0 GFADRO COC(=O)c1cc(NC(=O)N2CCC([C@@H](C)[NH3+])CC2)ccc1Br ZINC000415401807 563772689 /nfs/dbraw/zinc/77/26/89/563772689.db2.gz HUGWFKJKSKNWPZ-SNVBAGLBSA-N 1 0 384.274 2.827 20 0 GFADRO COC(=O)c1cc(Br)cc(C(=O)N(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)c1 ZINC000292071088 563772811 /nfs/dbraw/zinc/77/28/11/563772811.db2.gz IJRDPOWRGRXFNB-XHDPSFHLSA-N 1 0 383.286 2.648 20 0 GFADRO Cc1cc(F)c(NC(=O)NC[C@H]([NH3+])C(C)C)c(I)c1 ZINC000415396748 563772723 /nfs/dbraw/zinc/77/27/23/563772723.db2.gz UXNZQVIVUMSYQD-NSHDSACASA-N 1 0 379.217 2.844 20 0 GFADRO COc1cc(Br)cc(NC(=O)N2C[C@H](C[NH3+])C3(C2)CCOCC3)c1 ZINC000415402428 563773013 /nfs/dbraw/zinc/77/30/13/563773013.db2.gz VJGJZOFFKNFMJV-LBPRGKRZSA-N 1 0 398.301 2.677 20 0 GFADRO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)Nc2cccc(Cl)c2SCC(F)F)C1 ZINC000415403364 563773015 /nfs/dbraw/zinc/77/30/15/563773015.db2.gz ZWFDKELHPUARSF-JTQLQIEISA-N 1 0 391.871 2.704 20 0 GFADRO CCOc1c(Cl)cc(NC(=O)C(=O)NCC[C@@H]2CCC[NH2+]C2)cc1Cl ZINC000415408295 563773097 /nfs/dbraw/zinc/77/30/97/563773097.db2.gz GWQUPMDKRSQINM-NSHDSACASA-N 1 0 388.295 2.837 20 0 GFADRO C[NH2+]C[C@H](C)CNC(=O)C(=O)Nc1ccc(Sc2nc(C)cs2)cc1 ZINC000415408250 563773198 /nfs/dbraw/zinc/77/31/98/563773198.db2.gz BWBLZUHBALJJRH-NSHDSACASA-N 1 0 378.523 2.513 20 0 GFADRO COC(=O)c1cc(NC(=O)NCCC[C@H]2CCC[NH2+]2)ccc1Br ZINC000415406394 563773305 /nfs/dbraw/zinc/77/33/05/563773305.db2.gz OHDBESPBBKIMQE-LLVKDONJSA-N 1 0 384.274 2.889 20 0 GFADRO Cc1cc(NC(=O)C(=O)NCC[C@@H]2CCC[NH2+]C2)cc(C)c1Br ZINC000415411236 563773587 /nfs/dbraw/zinc/77/35/87/563773587.db2.gz LCQGJDCPHCBMJB-ZDUSSCGKSA-N 1 0 382.302 2.510 20 0 GFADRO O=C(NCC[C@H]1CCC[NH2+]C1)C(=O)Nc1cc(Cl)cc(C(F)(F)F)c1 ZINC000415412338 563773608 /nfs/dbraw/zinc/77/36/08/563773608.db2.gz MTDIBUNNDLOQHS-SNVBAGLBSA-N 1 0 377.794 2.803 20 0 GFADRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)Nc1cccc(Cl)c1SCC(F)F ZINC000415413137 563773672 /nfs/dbraw/zinc/77/36/72/563773672.db2.gz IJMBZAUXTYZUFN-SECBINFHSA-N 1 0 379.860 2.607 20 0 GFADRO Cc1cc(F)c(NC(=O)N[C@H]2CC[C@@H](C[NH3+])C2)c(I)c1 ZINC000415414297 563773757 /nfs/dbraw/zinc/77/37/57/563773757.db2.gz ZRKVTBCRYNWTEK-ZJUUUORDSA-N 1 0 391.228 2.988 20 0 GFADRO CCCN(C(=O)C(=O)Nc1c(C)cc(C)cc1Br)[C@H]1CC[NH2+]C1 ZINC000415408888 563773804 /nfs/dbraw/zinc/77/38/04/563773804.db2.gz SKPXXKDEJJFRDP-ZDUSSCGKSA-N 1 0 382.302 2.605 20 0 GFADRO C[N@@H+]1CCC[C@H]2CN(C(=O)NCCCCn3cc(Br)cn3)CC[C@H]21 ZINC000365113266 563774565 /nfs/dbraw/zinc/77/45/65/563774565.db2.gz VNZWDLHQMXNMKN-GOEBONIOSA-N 1 0 398.349 2.552 20 0 GFADRO COCCOc1ccc(Br)cc1NC(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000415427528 563774842 /nfs/dbraw/zinc/77/48/42/563774842.db2.gz OTWHAVHJWRGYJX-SMDDNHRTSA-N 1 0 386.290 2.594 20 0 GFADRO [NH3+]CC[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)N(c3cc(Cl)cc(Cl)c3)C2)C1 ZINC000442598041 563775226 /nfs/dbraw/zinc/77/52/26/563775226.db2.gz LDMBECWUGGRXIR-QWHCGFSZSA-N 1 0 384.307 2.934 20 0 GFADRO C[N@@H+]1CC[C@@]2(CCN(C(=O)C[C@@H]3Sc4ccc(Cl)cc4NC3=O)C2)C1 ZINC000292132425 563775411 /nfs/dbraw/zinc/77/54/11/563775411.db2.gz HGBIUHJMFRRKAL-MAUKXSAKSA-N 1 0 379.913 2.697 20 0 GFADRO Cc1cc(NC(=O)C(=O)N2CCC[C@@H]([C@H](C)[NH3+])C2)cc(C)c1Br ZINC000415436376 563775666 /nfs/dbraw/zinc/77/56/66/563775666.db2.gz JYUWGYJRSHGOAH-QWHCGFSZSA-N 1 0 382.302 2.590 20 0 GFADRO COCCOc1ccc(Br)cc1NC(=O)NC1(C[NH3+])CCCC1 ZINC000415431533 563775756 /nfs/dbraw/zinc/77/57/56/563775756.db2.gz USNJFSMHALLXPM-UHFFFAOYSA-N 1 0 386.290 2.867 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N2CCC[C@@H]([C@H](C)[NH3+])C2)cc1Br ZINC000415432563 563775782 /nfs/dbraw/zinc/77/57/82/563775782.db2.gz FYPLQEOKMVAOAT-QWHCGFSZSA-N 1 0 382.302 2.590 20 0 GFADRO COc1ccc(Br)c(NC(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c1 ZINC000365182080 563776258 /nfs/dbraw/zinc/77/62/58/563776258.db2.gz GRRMCUHWQCSTLW-HZPDHXFCSA-N 1 0 398.301 2.521 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)Nc2cc(Cl)cc(Br)c2)C1 ZINC000415447053 563776317 /nfs/dbraw/zinc/77/63/17/563776317.db2.gz PWLHNPYQIBPLNM-VHSXEESVSA-N 1 0 388.693 2.627 20 0 GFADRO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)C[NH2+][C@@H]1CCO[C@H]1C1CC1 ZINC000365191944 563776932 /nfs/dbraw/zinc/77/69/32/563776932.db2.gz UMZQKHXCKKKHOD-CJNGLKHVSA-N 1 0 387.263 2.876 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)Nc2cc(Cl)cc(C(F)(F)F)c2)C1 ZINC000415452120 563776952 /nfs/dbraw/zinc/77/69/52/563776952.db2.gz XZDCDDRKMYDEHE-ZJUUUORDSA-N 1 0 377.794 2.883 20 0 GFADRO C[NH2+][C@@H]1CCCN(C(=O)Nc2cc(F)c(Br)cc2C(=O)OC)C1 ZINC000415464959 563777098 /nfs/dbraw/zinc/77/70/98/563777098.db2.gz DRJFYXKRNCQFDW-SECBINFHSA-N 1 0 388.237 2.591 20 0 GFADRO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(Br)c3ccccc23)CC[C@@H]1[NH3+] ZINC000415464123 563777170 /nfs/dbraw/zinc/77/71/70/563777170.db2.gz QUQKAPCAKSRCJY-ABAIWWIYSA-N 1 0 390.281 2.737 20 0 GFADRO C[NH+]1CCN(CCCNC(=O)C2(Cc3ccccc3Br)CC2)CC1 ZINC000292182639 563777434 /nfs/dbraw/zinc/77/74/34/563777434.db2.gz JALXHSZZKSBJJK-UHFFFAOYSA-N 1 0 394.357 2.526 20 0 GFADRO CC(C)C[N@@H+]1CCC[C@H](CNS(=O)(=O)c2cnccc2C(F)(F)F)C1 ZINC000442741074 563777508 /nfs/dbraw/zinc/77/75/08/563777508.db2.gz WLROVULDNUAHLN-CYBMUJFWSA-N 1 0 379.448 2.747 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)Nc1cc(Br)cnc1-n1cccn1 ZINC000415490188 563778892 /nfs/dbraw/zinc/77/88/92/563778892.db2.gz VORLVLJGSPNGQX-BXUZGUMPSA-N 1 0 393.289 2.763 20 0 GFADRO CN(CC(C)(C)C[NH3+])C(=O)C(=O)Nc1cccnc1-c1ccc(Cl)s1 ZINC000415484820 563779075 /nfs/dbraw/zinc/77/90/75/563779075.db2.gz OPFBQZAPHOANCU-UHFFFAOYSA-N 1 0 380.901 2.845 20 0 GFADRO CCCN(C(=O)C(=O)Nc1cc(Br)ccc1C)C1CC[NH2+]CC1 ZINC000415498501 563779857 /nfs/dbraw/zinc/77/98/57/563779857.db2.gz JQJFWSSKIPPWII-UHFFFAOYSA-N 1 0 382.302 2.687 20 0 GFADRO CCCC[C@H](C[NH3+])NC(=O)C(=O)Nc1cccc(Cl)c1OCC(F)F ZINC000415503796 563780299 /nfs/dbraw/zinc/78/02/99/563780299.db2.gz VINPEEJPKALRRJ-SNVBAGLBSA-N 1 0 377.819 2.556 20 0 GFADRO C[C@@]1(C[NH3+])CCN(C(=O)Nc2nnc(-c3cccc(Br)c3)s2)C1 ZINC000415507196 563780444 /nfs/dbraw/zinc/78/04/44/563780444.db2.gz UZJXTCOFHYFEGY-HNNXBMFYSA-N 1 0 396.314 3.170 20 0 GFADRO C[NH2+]C[C@H](C)CNC(=O)Nc1ccnn1Cc1ccccc1Br ZINC000415519349 563780922 /nfs/dbraw/zinc/78/09/22/563780922.db2.gz FVFOUYKENDAPPV-LBPRGKRZSA-N 1 0 380.290 2.671 20 0 GFADRO O=C(NC[C@@H]1CCC[NH2+]C1)Nc1ccnn1Cc1ccccc1Br ZINC000415519676 563781453 /nfs/dbraw/zinc/78/14/53/563781453.db2.gz GHVAFWSYDXLCQC-CYBMUJFWSA-N 1 0 392.301 2.815 20 0 GFADRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)Nc1ccnn1Cc1ccc(Br)cc1 ZINC000415520756 563781461 /nfs/dbraw/zinc/78/14/61/563781461.db2.gz BHBBWWJDSXKDAK-DOMZBBRYSA-N 1 0 392.301 2.813 20 0 GFADRO [NH3+]C[C@@H]1CC[C@H](NC(=O)Nc2ccnn2Cc2ccccc2Br)C1 ZINC000415520481 563781593 /nfs/dbraw/zinc/78/15/93/563781593.db2.gz IAKLBOJTDDNELF-OCCSQVGLSA-N 1 0 392.301 2.943 20 0 GFADRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)Nc2ccnn2Cc2ccc(Br)cc2)C1 ZINC000415524301 563781956 /nfs/dbraw/zinc/78/19/56/563781956.db2.gz HHTGQOGGKSATAP-UKRRQHHQSA-N 1 0 392.301 2.943 20 0 GFADRO [NH3+]CC[C@H](NC(=O)Nc1ccnn1Cc1ccc(Cl)c(F)c1)C(F)F ZINC000415525340 563782043 /nfs/dbraw/zinc/78/20/43/563782043.db2.gz FDKOZWAWIQWJFR-LBPRGKRZSA-N 1 0 375.782 2.828 20 0 GFADRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)Nc1ccnn1Cc1ccc(Br)cc1 ZINC000415526631 563782538 /nfs/dbraw/zinc/78/25/38/563782538.db2.gz JYCXBZGMBGJAGW-DOMZBBRYSA-N 1 0 392.301 2.813 20 0 GFADRO O=C(NC[C@H]1CCC[NH2+]C1)Nc1ccnn1Cc1ccc(Br)cc1 ZINC000415528805 563782696 /nfs/dbraw/zinc/78/26/96/563782696.db2.gz MUMYLMHBCYBZQZ-AWEZNQCLSA-N 1 0 392.301 2.815 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCN(C(=O)Nc2ccnn2Cc2ccc(Br)cc2)C1 ZINC000415534045 563783310 /nfs/dbraw/zinc/78/33/10/563783310.db2.gz UPFQBWYTQRPOKI-JSGCOSHPSA-N 1 0 392.301 2.895 20 0 GFADRO C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)Nc1c(F)cc(F)cc1Br ZINC000415546298 563783904 /nfs/dbraw/zinc/78/39/04/563783904.db2.gz AMDVYUWHYHSDCD-WRWORJQWSA-N 1 0 378.217 2.962 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000415564220 563784359 /nfs/dbraw/zinc/78/43/59/563784359.db2.gz CCBZPTNPKQLJKI-KRWDZBQOSA-N 1 0 382.302 2.510 20 0 GFADRO CC1(CNC(=O)C(=O)Nc2cc(Cl)cc(C(F)(F)F)c2)CC[NH2+]CC1 ZINC000415569007 563784863 /nfs/dbraw/zinc/78/48/63/563784863.db2.gz JGSZJEKUUGPEHZ-UHFFFAOYSA-N 1 0 377.794 2.803 20 0 GFADRO C[C@@H]1CN(C(=O)C(=O)Nc2cccc(Cl)c2SCC(F)F)[C@@H](C)C[NH2+]1 ZINC000415577228 563784891 /nfs/dbraw/zinc/78/48/91/563784891.db2.gz YWLRSYONWSBZJQ-ZJUUUORDSA-N 1 0 391.871 2.845 20 0 GFADRO CCOc1c(Cl)cc(NC(=O)C(=O)NCC2(C)CC[NH2+]CC2)cc1Cl ZINC000415572634 563785225 /nfs/dbraw/zinc/78/52/25/563785225.db2.gz OSXQCNAHKMEZFT-UHFFFAOYSA-N 1 0 388.295 2.837 20 0 GFADRO COc1ccc(NC(=O)N(C)[C@@H](C[NH3+])C2CC2)c(I)c1 ZINC000415600927 563786753 /nfs/dbraw/zinc/78/67/53/563786753.db2.gz UVVQHOCWTRLRTB-ZDUSSCGKSA-N 1 0 389.237 2.501 20 0 GFADRO COC(=O)c1c(Br)ccc(NC(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)c1C ZINC000415603167 563786896 /nfs/dbraw/zinc/78/68/96/563786896.db2.gz TUXPBKPIUKKVFC-NEPJUHHUSA-N 1 0 396.285 2.902 20 0 GFADRO COC(=O)c1c(C)c(NC(=O)N2C[C@@H](C[NH3+])C[C@@H]2C)ccc1Br ZINC000415599429 563786950 /nfs/dbraw/zinc/78/69/50/563786950.db2.gz MHTNJOPWJSGZTC-GXSJLCMTSA-N 1 0 384.274 2.745 20 0 GFADRO C[NH2+]C[C@H]1CCN(C(=O)Nc2ccc(Br)c(C(=O)OC)c2C)C1 ZINC000415606764 563787424 /nfs/dbraw/zinc/78/74/24/563787424.db2.gz ZATXJDQXJWBPHJ-LLVKDONJSA-N 1 0 384.274 2.617 20 0 GFADRO COC(=O)c1cc(NC(=O)N[C@@H](C)CCC[NH3+])cc(Br)c1F ZINC000415618350 563788262 /nfs/dbraw/zinc/78/82/62/563788262.db2.gz WXASRPOGKXLZDJ-QMMMGPOBSA-N 1 0 376.226 2.624 20 0 GFADRO COC(=O)c1cc(NC(=O)N[C@H]2CCC[C@@H]([NH3+])C2)cc(Br)c1F ZINC000415613118 563788292 /nfs/dbraw/zinc/78/82/92/563788292.db2.gz MLECKHOCRZWNMN-BDAKNGLRSA-N 1 0 388.237 2.766 20 0 GFADRO C[NH2+][C@@H]1CCCN(C(=O)Nc2cc(Br)c(F)cc2C(=O)OC)C1 ZINC000415630746 563788852 /nfs/dbraw/zinc/78/88/52/563788852.db2.gz GKIZFIIGQYMHIQ-SECBINFHSA-N 1 0 388.237 2.591 20 0 GFADRO COC(=O)c1cc(F)c(Br)cc1NC(=O)N1C[C@H](C[NH3+])C[C@H]1C ZINC000415632052 563788874 /nfs/dbraw/zinc/78/88/74/563788874.db2.gz QCGYCGWPFHVKQF-BDAKNGLRSA-N 1 0 388.237 2.576 20 0 GFADRO COCC1(CNC(=O)Nc2cc(F)cc(Br)c2F)CC[NH2+]CC1 ZINC000415620629 563788894 /nfs/dbraw/zinc/78/88/94/563788894.db2.gz PYOJYSBGVADWSA-UHFFFAOYSA-N 1 0 392.244 2.865 20 0 GFADRO CN(C(=O)Nc1cc(Br)cc(C(=O)N2CCCC2)c1)C1CC([NH3+])C1 ZINC000415636050 563789294 /nfs/dbraw/zinc/78/92/94/563789294.db2.gz KUOAMIQWBQLXRT-UHFFFAOYSA-N 1 0 395.301 2.639 20 0 GFADRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)Nc1cc(Br)cc(C(=O)N2CCCC2)c1 ZINC000415642290 563790049 /nfs/dbraw/zinc/79/00/49/563790049.db2.gz VIOKFOBJPRWJSO-NHYWBVRUSA-N 1 0 395.301 2.639 20 0 GFADRO CCC(CC)(C[NH3+])NC(=O)Nc1ccnn1-c1ccc(Br)cn1 ZINC000415643448 563790091 /nfs/dbraw/zinc/79/00/91/563790091.db2.gz XOIWBFFBBVMQKM-UHFFFAOYSA-N 1 0 381.278 2.669 20 0 GFADRO CC[NH2+][C@H](C)CNC(=O)C(=O)Nc1ccc(Br)c(Cl)c1Cl ZINC000415655919 563790638 /nfs/dbraw/zinc/79/06/38/563790638.db2.gz KGUDRJGIAOXEHJ-SSDOTTSWSA-N 1 0 397.100 2.809 20 0 GFADRO [NH3+]CC[C@H]1CCCN(C(=O)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000415677802 563791354 /nfs/dbraw/zinc/79/13/54/563791354.db2.gz NJZODEGLWBMDSV-SNVBAGLBSA-N 1 0 377.794 2.885 20 0 GFADRO CNC(=O)c1cccc(NC(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)c1Br ZINC000415703431 563792115 /nfs/dbraw/zinc/79/21/15/563792115.db2.gz FXQGJSBWEAGPFR-HAQNSBGRSA-N 1 0 397.317 2.695 20 0 GFADRO CCCC[N@H+](C)C[C@H](C)NC(=O)c1ccc(CS(=O)(=O)C(F)F)cc1 ZINC000292663304 563793033 /nfs/dbraw/zinc/79/30/33/563793033.db2.gz LQLJIPHVUWXSFX-ZDUSSCGKSA-N 1 0 376.469 2.674 20 0 GFADRO CO[C@H]1CCN(C(=O)Nc2cccc(Cl)c2OCC(F)F)[C@@H](C[NH3+])C1 ZINC000415751743 563794750 /nfs/dbraw/zinc/79/47/50/563794750.db2.gz WKGBCPMLMQWLOJ-MNOVXSKESA-N 1 0 377.819 2.954 20 0 GFADRO C[C@@H](CCC[NH3+])NC(=O)C(=O)Nc1cccc(Cl)c1SCC(F)F ZINC000415759061 563794916 /nfs/dbraw/zinc/79/49/16/563794916.db2.gz JJDBQGDIRZDXTR-VIFPVBQESA-N 1 0 379.860 2.879 20 0 GFADRO [NH3+]CC[C@@H]1CCCN(C(=O)Nc2ccn(-c3ccc(Br)cc3)n2)C1 ZINC000415760750 563795174 /nfs/dbraw/zinc/79/51/74/563795174.db2.gz SVLIIUXZWQNVMI-ZDUSSCGKSA-N 1 0 392.301 3.228 20 0 GFADRO COc1ccc(Cl)cc1NC(=O)[C@H](C)N1CC[NH+]([C@H]2CCSC2)CC1 ZINC000365869564 563795487 /nfs/dbraw/zinc/79/54/87/563795487.db2.gz NUSXOEJIKSQLGL-ZFWWWQNUSA-N 1 0 383.945 2.799 20 0 GFADRO COc1cc(I)ccc1NC(=O)N1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000415773422 563795777 /nfs/dbraw/zinc/79/57/77/563795777.db2.gz MTZFZVCATXIZBA-ONGXEEELSA-N 1 0 389.237 2.501 20 0 GFADRO CC[NH+](CC)[C@@H](CNC(=O)c1nn(C)cc1Br)Cc1ccccc1 ZINC000292827324 563796381 /nfs/dbraw/zinc/79/63/81/563796381.db2.gz PKCMHMDEMCWYMB-OAHLLOKOSA-N 1 0 393.329 2.866 20 0 GFADRO O=C(Nc1cc(Cl)cc(C(F)(F)F)c1)C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000415797740 563797139 /nfs/dbraw/zinc/79/71/39/563797139.db2.gz WNFSGWYWMVBYRC-RNCFNFMXSA-N 1 0 375.778 2.508 20 0 GFADRO [NH3+][C@H]1CCC[C@@H](CNC(=O)C(=O)Nc2ccc(OC(F)F)c(Cl)c2)C1 ZINC000415806645 563797425 /nfs/dbraw/zinc/79/74/25/563797425.db2.gz KENMRSFLDJRORJ-ZJUUUORDSA-N 1 0 375.803 2.514 20 0 GFADRO NC(=O)C[C@@H]([NH2+]Cc1cc(Br)c2c(c1)OCCO2)c1ccccc1 ZINC000292969265 563798128 /nfs/dbraw/zinc/79/81/28/563798128.db2.gz KDQQRDNBSJTZFI-OAHLLOKOSA-N 1 0 391.265 2.927 20 0 GFADRO Cc1cc(Br)cc(Cl)c1NC(=O)C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000415825057 563798290 /nfs/dbraw/zinc/79/82/90/563798290.db2.gz YESXITHMUFLRRZ-UHFFFAOYSA-N 1 0 388.693 2.560 20 0 GFADRO [NH3+][C@H]1CCC[C@H](CNC(=O)C(=O)Nc2ccc(Cl)c(Br)c2)C1 ZINC000415819087 563798314 /nfs/dbraw/zinc/79/83/14/563798314.db2.gz XUBWFDIZEFWMLK-UWVGGRQHSA-N 1 0 388.693 2.675 20 0 GFADRO O=C(Nc1cnn(Cc2ccc(Br)cc2Cl)c1)N[C@@H]1CC[NH2+]C1 ZINC000415822899 563798392 /nfs/dbraw/zinc/79/83/92/563798392.db2.gz RBZVBPVEZOZLCM-GFCCVEGCSA-N 1 0 398.692 2.831 20 0 GFADRO [NH3+]CC[C@H](NC(=O)C(=O)Nc1cc(Cl)ccc1C(F)(F)F)C(F)(F)F ZINC000415833518 563798774 /nfs/dbraw/zinc/79/87/74/563798774.db2.gz KFWKIOKUJRYBFU-VIFPVBQESA-N 1 0 391.699 2.693 20 0 GFADRO FC(F)Cn1cc(C[NH2+]Cc2cc(Br)c3c(c2)OCCO3)cn1 ZINC000293110063 563801157 /nfs/dbraw/zinc/80/11/57/563801157.db2.gz XGUYLFOFUOJMKF-UHFFFAOYSA-N 1 0 388.212 2.972 20 0 GFADRO COCCN(Cc1ccc(F)c(Cl)c1)C(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000416000696 563801569 /nfs/dbraw/zinc/80/15/69/563801569.db2.gz YPZGGRCPBITMKC-ZDUSSCGKSA-N 1 0 385.789 2.917 20 0 GFADRO C[C@H](Cc1cccc(Br)c1)NC(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000415996996 563801917 /nfs/dbraw/zinc/80/19/17/563801917.db2.gz QOVSAMOPYWOKJN-SKDRFNHKSA-N 1 0 382.224 2.959 20 0 GFADRO C[C@@H](Cc1ccc(Br)cc1)NC(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000415997299 563802052 /nfs/dbraw/zinc/80/20/52/563802052.db2.gz RLGSHNJSDXHWQJ-JOYOIKCWSA-N 1 0 382.224 2.959 20 0 GFADRO CN1CC[C@H](NC(=O)N[C@H](CC[NH3+])C(F)(F)F)[C@H]1c1ccc(Cl)cc1 ZINC000416028491 563803113 /nfs/dbraw/zinc/80/31/13/563803113.db2.gz JZPGPOOADFFOAB-BFHYXJOUSA-N 1 0 378.826 2.664 20 0 GFADRO [NH3+]CC[C@H](NC(=O)NCc1cc(F)c(F)cc1Br)C(F)(F)F ZINC000416040928 563803663 /nfs/dbraw/zinc/80/36/63/563803663.db2.gz HYONXGRQOIJFBW-JTQLQIEISA-N 1 0 390.150 2.806 20 0 GFADRO Cn1cc(-c2ncc(C[NH2+]CCOc3ncc(Cl)cc3Cl)cn2)cn1 ZINC000366340431 563805449 /nfs/dbraw/zinc/80/54/49/563805449.db2.gz PBUYHMDGNXSHSV-UHFFFAOYSA-N 1 0 379.251 2.748 20 0 GFADRO O=C(NCC[C@@H]1CCC[NH2+]C1)[C@@H]1CCCN(c2ccc(Br)cn2)C1 ZINC000366350095 563806098 /nfs/dbraw/zinc/80/60/98/563806098.db2.gz ZHLYUXQJHSFOEV-LSDHHAIUSA-N 1 0 395.345 2.566 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)C2CCN(C(=O)c3ccc(Cl)s3)CC2)C1 ZINC000366344458 563806117 /nfs/dbraw/zinc/80/61/17/563806117.db2.gz FLQSYVFGYOUQFN-JSGCOSHPSA-N 1 0 383.945 2.840 20 0 GFADRO C[N@@H+]1CC[C@H]2CCN(C(=O)c3ccn(-c4ccc(Br)cc4)n3)[C@H]2C1 ZINC000293365038 563809479 /nfs/dbraw/zinc/80/94/79/563809479.db2.gz CYTLMLBAVLVRPL-GUYCJALGSA-N 1 0 389.297 2.801 20 0 GFADRO O=S(=O)(c1ccc(F)cc1Br)N1CCC[C@@H]2C[NH2+]CCC[C@@H]21 ZINC000366484927 563809872 /nfs/dbraw/zinc/80/98/72/563809872.db2.gz RRGWHAJIAJRDMR-RISCZKNCSA-N 1 0 391.306 2.741 20 0 GFADRO CC[C@@H]([NH2+][C@@H]1CCc2n[nH]cc2C1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000366486810 563810757 /nfs/dbraw/zinc/81/07/57/563810757.db2.gz YIBZGZVKMXKVCX-UKRRQHHQSA-N 1 0 382.917 2.569 20 0 GFADRO CN(CCn1cc(Br)cn1)C(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000416232910 563811186 /nfs/dbraw/zinc/81/11/86/563811186.db2.gz HCOGRLHSZPVOMN-MRXNPFEDSA-N 1 0 379.302 2.797 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)N[C@@H](C)CCCC[NH3+] ZINC000293411602 563811439 /nfs/dbraw/zinc/81/14/39/563811439.db2.gz NEONMSPCQSDNJR-GJZGRUSLSA-N 1 0 386.583 2.985 20 0 GFADRO Cc1ccc(C(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)cc1I ZINC000366550811 563813475 /nfs/dbraw/zinc/81/34/75/563813475.db2.gz HFTGRCVMCMQLMO-INIZCTEOSA-N 1 0 384.261 2.767 20 0 GFADRO O=C(c1nc(C2CC2)ncc1Br)N1CCC([NH+]2CCCC2)CC1 ZINC000366554147 563813824 /nfs/dbraw/zinc/81/38/24/563813824.db2.gz JCOHVTUNRFFAQB-UHFFFAOYSA-N 1 0 379.302 2.817 20 0 GFADRO O=C(N[C@H]1CC12CC[NH2+]CC2)[C@H]1CCN(c2cc(Cl)ccc2Cl)C1=O ZINC000366577622 563814539 /nfs/dbraw/zinc/81/45/39/563814539.db2.gz YTAMBSKXHAESRL-DOMZBBRYSA-N 1 0 382.291 2.605 20 0 GFADRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1nc(C2CC2)ncc1Br ZINC000366572461 563814642 /nfs/dbraw/zinc/81/46/42/563814642.db2.gz SCTTVRIVHDSADZ-WCQYABFASA-N 1 0 379.302 2.815 20 0 GFADRO C[NH+](C)CCN1CCN(C(=O)c2ccc(Br)c(Cl)c2F)CC1 ZINC000443915165 563814749 /nfs/dbraw/zinc/81/47/49/563814749.db2.gz LIPZYYAKEBMEAZ-UHFFFAOYSA-N 1 0 392.700 2.561 20 0 GFADRO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)CCCc1ccccc1Br ZINC000416317985 563816117 /nfs/dbraw/zinc/81/61/17/563816117.db2.gz XFJLBWHZIDJERL-HUUCEWRRSA-N 1 0 383.330 2.685 20 0 GFADRO CSc1ccccc1S(=O)(=O)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000444037670 563818278 /nfs/dbraw/zinc/81/82/78/563818278.db2.gz VCQQYXJHEMSOMO-UHFFFAOYSA-N 1 0 384.567 2.532 20 0 GFADRO O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1cnc2ccc(Br)cc2c1O ZINC000444029340 563818349 /nfs/dbraw/zinc/81/83/49/563818349.db2.gz BXPWBGYPFXXGQH-STQMWFEESA-N 1 0 390.281 2.647 20 0 GFADRO CSCc1cnc(C[NH2+][C@@H]2CN(Cc3ccccc3)CC[C@@H]2CO)s1 ZINC000293571133 563818842 /nfs/dbraw/zinc/81/88/42/563818842.db2.gz MYZYWQWBJMXCNY-SJLPKXTDSA-N 1 0 377.579 2.979 20 0 GFADRO COC(=O)c1c(Cl)cccc1S(=O)(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000416375224 563819091 /nfs/dbraw/zinc/81/90/91/563819091.db2.gz VHRAOWSTXQHPJD-UHFFFAOYSA-N 1 0 388.917 2.668 20 0 GFADRO COc1nc(NCC2([NH+](C)C)Cc3ccccc3C2)ncc1Br ZINC000444083189 563820601 /nfs/dbraw/zinc/82/06/01/563820601.db2.gz JSPIJHYWPQHDIC-UHFFFAOYSA-N 1 0 377.286 2.759 20 0 GFADRO O=C(c1cnnn1-c1c(Cl)cccc1Cl)N1CCC[N@@H+](C2CC2)CC1 ZINC000366823999 563820766 /nfs/dbraw/zinc/82/07/66/563820766.db2.gz INBDZCLKDCXXLR-UHFFFAOYSA-N 1 0 380.279 2.884 20 0 GFADRO O=C(N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1)C1(c2cncc(Br)c2)CC1 ZINC000366841127 563821768 /nfs/dbraw/zinc/82/17/68/563821768.db2.gz HCGQVSRPNOEYIC-JQFCIGGWSA-N 1 0 390.325 2.818 20 0 GFADRO CC[N@@H+]1CCCC[C@@H]1CNS(=O)(=O)c1cc(Cl)c(OC)cc1OC ZINC000416390602 563821816 /nfs/dbraw/zinc/82/18/16/563821816.db2.gz OSJBFFLXYRPGOP-GFCCVEGCSA-N 1 0 376.906 2.510 20 0 GFADRO O=C(NC1(c2ccc(Br)cc2)CCOCC1)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000444152780 563822469 /nfs/dbraw/zinc/82/24/69/563822469.db2.gz OYLWLRTUAVZSJY-DOTOQJQBSA-N 1 0 379.298 2.571 20 0 GFADRO COCCN(CC[NH+](C)C)C(=O)c1cc(Cl)cc(Br)c1F ZINC000444173901 563823387 /nfs/dbraw/zinc/82/33/87/563823387.db2.gz FAJLHGVOHWDQGW-UHFFFAOYSA-N 1 0 381.673 2.892 20 0 GFADRO Cc1cc(S(=O)(=O)N(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)c(F)cc1Br ZINC000416406943 563823821 /nfs/dbraw/zinc/82/38/21/563823821.db2.gz HJJCESNIMSAYJI-FZMZJTMJSA-N 1 0 393.322 2.857 20 0 GFADRO COC(=O)c1ccc(C[NH2+][C@H]2CCO[C@]3(CCOC3)C2)c(Br)c1 ZINC000366931769 563825383 /nfs/dbraw/zinc/82/53/83/563825383.db2.gz IOXPZFDBHXPMDI-WMLDXEAASA-N 1 0 384.270 2.663 20 0 GFADRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)c3cc(Br)cn3C(C)C)[C@H]2C1 ZINC000293853764 563826404 /nfs/dbraw/zinc/82/64/04/563826404.db2.gz JAWISGJGOIPWAJ-JKSUJKDBSA-N 1 0 384.318 2.767 20 0 GFADRO C[NH+](C)CCn1nccc1NC(=O)CCOc1cccc(Br)c1 ZINC000294072532 563830882 /nfs/dbraw/zinc/83/08/82/563830882.db2.gz MTBWFNNFUQFMGW-UHFFFAOYSA-N 1 0 381.274 2.615 20 0 GFADRO O=C(c1csc(-c2ccc(Cl)c(Cl)c2)n1)N1CCO[C@H]2C[NH2+]C[C@H]21 ZINC000367178144 563834325 /nfs/dbraw/zinc/83/43/25/563834325.db2.gz GYTFIPHIIQVISY-KGLIPLIRSA-N 1 0 384.288 2.930 20 0 GFADRO CCC[C@]1(CO)CCC[N@@H+]1C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000444786561 563836433 /nfs/dbraw/zinc/83/64/33/563836433.db2.gz ULJSHWWUERNISE-DOTOQJQBSA-N 1 0 390.293 2.955 20 0 GFADRO CCC[N@H+](CC)C[C@H](C)NS(=O)(=O)c1cc(Cl)c(OC)cc1OC ZINC000416483993 563836509 /nfs/dbraw/zinc/83/65/09/563836509.db2.gz PNEFACJDTMSTPA-LBPRGKRZSA-N 1 0 378.922 2.756 20 0 GFADRO C[C@H](Cc1ccc(Br)cc1)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000367233703 563837083 /nfs/dbraw/zinc/83/70/83/563837083.db2.gz DNIBKBGXUBLUFX-RDTXWAMCSA-N 1 0 395.341 2.997 20 0 GFADRO CCO[C@H]1C[C@](CO)([NH2+]Cc2nc3ccc(Br)cc3n2C)C1(C)C ZINC000444802442 563837384 /nfs/dbraw/zinc/83/73/84/563837384.db2.gz NXGJOYMFVOOKBJ-MAUKXSAKSA-N 1 0 396.329 2.992 20 0 GFADRO COc1cc(OC)c(S(=O)(=O)NC(C)(C)CCC[NH+](C)C)cc1Cl ZINC000416494553 563838720 /nfs/dbraw/zinc/83/87/20/563838720.db2.gz KPEVLCIXSYINQC-UHFFFAOYSA-N 1 0 378.922 2.756 20 0 GFADRO COc1cc(Br)c(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)cc1OC ZINC000294341607 563839144 /nfs/dbraw/zinc/83/91/44/563839144.db2.gz FMIKTOBGJIUHTM-ZIAGYGMSSA-N 1 0 383.286 2.823 20 0 GFADRO Cc1sc(Br)cc1S(=O)(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000416548222 563846211 /nfs/dbraw/zinc/84/62/11/563846211.db2.gz BFPQPUXPOXDIAT-LLVKDONJSA-N 1 0 381.361 2.829 20 0 GFADRO COc1cccc(OC)c1S(=O)(=O)N(CC[NH+](C)C)Cc1ccsc1 ZINC000416548226 563846484 /nfs/dbraw/zinc/84/64/84/563846484.db2.gz BHRSVZWXGXPOTA-UHFFFAOYSA-N 1 0 384.523 2.518 20 0 GFADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)c1cnn2c1CCC2 ZINC000294647476 563849459 /nfs/dbraw/zinc/84/94/59/563849459.db2.gz HEFVVBWYMUPUFA-UHFFFAOYSA-N 1 0 391.313 2.796 20 0 GFADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)Nc3cccc(I)c3)C[C@H]21 ZINC000367586839 563850187 /nfs/dbraw/zinc/85/01/87/563850187.db2.gz HNSLLXZOFSMMDM-BXUZGUMPSA-N 1 0 385.249 2.849 20 0 GFADRO CS[C@@H]1CN(S(=O)(=O)c2cc(F)cc(Cl)c2)C[C@@H]1[NH+]1CCCC1 ZINC000445709809 563852797 /nfs/dbraw/zinc/85/27/97/563852797.db2.gz PAKBJULEAARSHQ-LSDHHAIUSA-N 1 0 378.922 2.679 20 0 GFADRO CCOc1ccc(S(=O)(=O)N2C[C@@H]([NH+]3CCCC3)[C@@H](SC)C2)c(C)c1 ZINC000445732999 563853026 /nfs/dbraw/zinc/85/30/26/563853026.db2.gz MQWCDWWFFXTIJZ-SJORKVTESA-N 1 0 384.567 2.594 20 0 GFADRO CC(C)[C@H](CC(F)(F)F)[NH2+]CC(=O)Nc1ccccc1SCC(N)=O ZINC000445900258 563855596 /nfs/dbraw/zinc/85/55/96/563855596.db2.gz ZHHVTUGZFISVJH-LBPRGKRZSA-N 1 0 377.432 2.769 20 0 GFADRO C[C@H]1CN(CCOc2cc(F)cc(Br)c2)CC[N@@H+]1CC(C)(C)O ZINC000445993898 563856954 /nfs/dbraw/zinc/85/69/54/563856954.db2.gz OFERTQRQMQQZGZ-ZDUSSCGKSA-N 1 0 389.309 2.744 20 0 GFADRO C[C@H](NC(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1)c1cc(F)c(Cl)cc1Cl ZINC000416828477 563861992 /nfs/dbraw/zinc/86/19/92/563861992.db2.gz DWQJDXXBGWLWID-NWDGAFQWSA-N 1 0 389.302 2.883 20 0 GFADRO C[C@H](NC(=O)NCCCN1CC[NH2+]CC1)c1cc(F)c(Cl)cc1Cl ZINC000416859445 563862384 /nfs/dbraw/zinc/86/23/84/563862384.db2.gz ZZDZAONTJCXORM-NSHDSACASA-N 1 0 377.291 2.788 20 0 GFADRO COc1ccc(Br)c(CNC(=O)[C@]2([NH3+])[C@H]3CCCO[C@@H]3C2(C)C)c1 ZINC000446386809 563863163 /nfs/dbraw/zinc/86/31/63/563863163.db2.gz RWPXQDOVGIVSTB-DHSIGJKJSA-N 1 0 397.313 2.606 20 0 GFADRO O=C(c1cc(I)ccc1Cl)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000446361677 563863230 /nfs/dbraw/zinc/86/32/30/563863230.db2.gz DFWCQQCWMSCXKG-PHIMTYICSA-N 1 0 390.652 2.911 20 0 GFADRO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000446488091 563864482 /nfs/dbraw/zinc/86/44/82/563864482.db2.gz IVSAHYHHJHYLIL-HZPDHXFCSA-N 1 0 394.313 2.545 20 0 GFADRO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)Nc1ccc(Cl)c(OC(F)F)c1 ZINC000416978701 563864530 /nfs/dbraw/zinc/86/45/30/563864530.db2.gz CYFUSGZJZHPWRR-GHMZBOCLSA-N 1 0 377.819 2.860 20 0 GFADRO COC(=O)[C@H]1CN(C(=O)Nc2cccc(C(F)F)c2Cl)CC[N@H+](C)C1 ZINC000416994017 563865389 /nfs/dbraw/zinc/86/53/89/563865389.db2.gz NAGSVOKBYXWUDS-SNVBAGLBSA-N 1 0 375.803 2.846 20 0 GFADRO CC(C)(CNC(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1)c1ccc(Br)cc1 ZINC000417097762 563868142 /nfs/dbraw/zinc/86/81/42/563868142.db2.gz BLVCLWWKRJWPEH-ZIAGYGMSSA-N 1 0 380.330 2.978 20 0 GFADRO COc1ccc(Br)c(CNC(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)c1 ZINC000417142384 563868963 /nfs/dbraw/zinc/86/89/63/563868963.db2.gz RKQOIDKMDBDXMD-CQSZACIVSA-N 1 0 396.329 2.989 20 0 GFADRO CCOC1CC(O)(C[NH2+][C@H](C)CC(=O)Nc2cccc(Br)c2)C1 ZINC000446829568 563869360 /nfs/dbraw/zinc/86/93/60/563869360.db2.gz JJNFNCUTYPLFAP-OLJMKKDRSA-N 1 0 385.302 2.686 20 0 GFADRO C[C@@H](NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1ccc(Br)cc1F ZINC000446820112 563869470 /nfs/dbraw/zinc/86/94/70/563869470.db2.gz YIDRAKSEQBADMN-CHWSQXEVSA-N 1 0 386.309 2.826 20 0 GFADRO C[C@@H](Cc1ccc(Br)cc1)C(=O)N1CCC[N@H+](CC(C)(C)O)CC1 ZINC000368419922 563870522 /nfs/dbraw/zinc/87/05/22/563870522.db2.gz PMGYJNQKJZDTIB-HNNXBMFYSA-N 1 0 397.357 2.933 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCN(C(=O)N[C@@H](C)c2cc3c(cc2Br)OCCO3)C1 ZINC000417190198 563871725 /nfs/dbraw/zinc/87/17/25/563871725.db2.gz ZQYQOQYQEDCKQE-SRVKXCTJSA-N 1 0 398.301 2.660 20 0 GFADRO CC[C@@H]1Cc2c(Br)cccc2CN1C(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000447065235 563873518 /nfs/dbraw/zinc/87/35/18/563873518.db2.gz AJFJBTZSOFLCHH-CRAIPNDOSA-N 1 0 392.341 2.502 20 0 GFADRO Ic1cnc(CN2CCC([NH+]3CCCC3)CC2)s1 ZINC000368576618 563874791 /nfs/dbraw/zinc/87/47/91/563874791.db2.gz KMJNLLIPEMZNIX-UHFFFAOYSA-N 1 0 377.295 2.808 20 0 GFADRO [NH3+]CC[C@H](NC(=O)NCC1(c2ccc(Cl)cc2)CCOCC1)C(F)F ZINC000417254320 563875174 /nfs/dbraw/zinc/87/51/74/563875174.db2.gz NBTPUWXNSMEFSX-AWEZNQCLSA-N 1 0 375.847 2.670 20 0 GFADRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NC[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000417266824 563875715 /nfs/dbraw/zinc/87/57/15/563875715.db2.gz WXFOTCYCIQTDJB-KEYYUXOJSA-N 1 0 395.345 2.573 20 0 GFADRO C[C@@H]1CN(C(=O)NC[C@@H]2CCN(c3cccc(Br)c3)C2)[C@H](C)C[NH2+]1 ZINC000417263546 563875786 /nfs/dbraw/zinc/87/57/86/563875786.db2.gz QFXHODOOHLUPNK-KFWWJZLASA-N 1 0 395.345 2.667 20 0 GFADRO C[NH2+]C[C@@H]1CCCN1C(=O)NC[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000417267956 563875945 /nfs/dbraw/zinc/87/59/45/563875945.db2.gz YJHOSEUSSSXOEO-YOEHRIQHSA-N 1 0 395.345 2.669 20 0 GFADRO C[C@H](Cc1cccc(Br)c1)NC(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000417286106 563876845 /nfs/dbraw/zinc/87/68/45/563876845.db2.gz MNIRNPLYAIARKT-ZWNOBZJWSA-N 1 0 376.245 2.677 20 0 GFADRO COc1ccc(S(=O)(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c(Cl)c1Cl ZINC000447245722 563877891 /nfs/dbraw/zinc/87/78/91/563877891.db2.gz NMYSCHUKFLCAEJ-GARJFASQSA-N 1 0 379.309 2.750 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)NCCCOc2ccc(Cl)cc2Cl)CCCO1 ZINC000417338107 563878118 /nfs/dbraw/zinc/87/81/18/563878118.db2.gz YBMUTZIDNIVXLI-CYBMUJFWSA-N 1 0 376.284 2.522 20 0 GFADRO Cc1cc(Br)cc(C)c1S(=O)(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000447253188 563878494 /nfs/dbraw/zinc/87/84/94/563878494.db2.gz WSDDXDSUTLWOLJ-AEGPPILISA-N 1 0 387.343 2.814 20 0 GFADRO CN1CCC[C@@]2(CC[N@H+](Cc3nnc(-c4ccc(Br)o4)o3)C2)C1=O ZINC000368815290 563879303 /nfs/dbraw/zinc/87/93/03/563879303.db2.gz BEVXVHNIGXCXNV-INIZCTEOSA-N 1 0 395.257 2.536 20 0 GFADRO [NH3+][C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnn(-c2ccc(Br)cc2)c1 ZINC000368818218 563879547 /nfs/dbraw/zinc/87/95/47/563879547.db2.gz PHSOBRPQJQOJGT-MKZZRHPPSA-N 1 0 375.270 2.729 20 0 GFADRO CC(C)(CNC(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1)c1cccc(Br)c1 ZINC000417418299 563879653 /nfs/dbraw/zinc/87/96/53/563879653.db2.gz BBHHVLYPASQUOK-UONOGXRCSA-N 1 0 380.330 2.978 20 0 GFADRO CO[C@@H]1CCN(C(=O)N[C@H]2CCc3c2cccc3Br)[C@H](C[NH3+])C1 ZINC000417455733 563880434 /nfs/dbraw/zinc/88/04/34/563880434.db2.gz YPAQLHKQYIMURI-OZVIIMIRSA-N 1 0 382.302 2.584 20 0 GFADRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)N[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000417476642 563880565 /nfs/dbraw/zinc/88/05/65/563880565.db2.gz DPTDLQQNRMWPGS-LXZKKBNFSA-N 1 0 395.345 2.845 20 0 GFADRO C[C@H](CNC(=O)N1CC[C@H](N2CC[NH2+]CC2)C1)c1c(Cl)cccc1Cl ZINC000417490972 563880960 /nfs/dbraw/zinc/88/09/60/563880960.db2.gz SGKSQIILVVPHFU-KGLIPLIRSA-N 1 0 385.339 2.786 20 0 GFADRO COc1cc(Br)cc(C)c1NC(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000368886096 563880968 /nfs/dbraw/zinc/88/09/68/563880968.db2.gz UYEDFSCTZZHYBD-ZIAGYGMSSA-N 1 0 398.301 2.751 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000417494944 563881691 /nfs/dbraw/zinc/88/16/91/563881691.db2.gz YVWOKJVGMQAUKU-OCCSQVGLSA-N 1 0 397.317 2.513 20 0 GFADRO O=C([C@@H]1COc2ccc(Br)cc21)N1CCCC2(CC[NH2+]CC2)C1 ZINC000368925561 563882067 /nfs/dbraw/zinc/88/20/67/563882067.db2.gz SYLQYCLHWIJHQF-OAHLLOKOSA-N 1 0 379.298 2.917 20 0 GFADRO Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)NC(=O)N(CC[NH3+])CCO ZINC000417531706 563882165 /nfs/dbraw/zinc/88/21/65/563882165.db2.gz LTPOIAVHRFDSSY-LBPRGKRZSA-N 1 0 382.917 2.796 20 0 GFADRO Cc1csc(C(=O)N2CC[NH+]3CCC2CC3)c1I ZINC000368958553 563882586 /nfs/dbraw/zinc/88/25/86/563882586.db2.gz LVMSIFIRFXBUBX-UHFFFAOYSA-N 1 0 376.263 2.581 20 0 GFADRO COc1ccc(Br)cc1C(=O)CCC(=O)N[C@H]1CC[NH2+][C@@H](C)C1 ZINC000447518482 563882964 /nfs/dbraw/zinc/88/29/64/563882964.db2.gz WHRNJDKGHQMBID-AAEUAGOBSA-N 1 0 383.286 2.677 20 0 GFADRO O=C(NCC1(c2cccc(Br)c2)CC1)N[C@H]1C[NH2+]CCC1(F)F ZINC000417661124 563886876 /nfs/dbraw/zinc/88/68/76/563886876.db2.gz ORMOYZQURYWRTM-ZDUSSCGKSA-N 1 0 388.256 2.777 20 0 GFADRO [NH3+]CC[C@@H](NC(=O)NCCCc1ccc(Br)cc1F)C(F)F ZINC000417684497 563887204 /nfs/dbraw/zinc/88/72/04/563887204.db2.gz WPZMEHOUYKVDGK-GFCCVEGCSA-N 1 0 382.224 2.803 20 0 GFADRO O=C(NCCCc1ccc(Br)cc1F)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000417682734 563887243 /nfs/dbraw/zinc/88/72/43/563887243.db2.gz TWOHHVKLVNKVGW-ZIAGYGMSSA-N 1 0 384.293 2.772 20 0 GFADRO C[C@H](CNC(=O)NC[C@]1(C)CCC[NH2+]C1)Oc1ccc(Br)cc1 ZINC000417775537 563889211 /nfs/dbraw/zinc/88/92/11/563889211.db2.gz NMTIIMHAHBCORH-CXAGYDPISA-N 1 0 384.318 2.905 20 0 GFADRO C[C@H](CNC(=O)NCC1(C)CC[NH2+]CC1)Oc1ccc(Br)cc1 ZINC000417776864 563889356 /nfs/dbraw/zinc/88/93/56/563889356.db2.gz QPFZNCJIVVJEAJ-CYBMUJFWSA-N 1 0 384.318 2.905 20 0 GFADRO C[C@H](CNC(=O)NCC[C@H]1CCC[NH2+]C1)Oc1ccc(Br)cc1 ZINC000417777861 563889430 /nfs/dbraw/zinc/88/94/30/563889430.db2.gz SDDCUTBPHBVGCX-ZIAGYGMSSA-N 1 0 384.318 2.905 20 0 GFADRO C[C@H](CNC(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1)Oc1ccccc1Br ZINC000417813873 563889821 /nfs/dbraw/zinc/88/98/21/563889821.db2.gz ALCFBXDWPWKARR-HOSILWTGSA-N 1 0 396.329 2.985 20 0 GFADRO [NH3+]C[C@H]1CC[C@H](CNC(=O)NCCOc2ncc(Cl)cc2Cl)CC1 ZINC000417879833 563890459 /nfs/dbraw/zinc/89/04/59/563890459.db2.gz BUGHSJIUKKTRFM-HAQNSBGRSA-N 1 0 375.300 2.832 20 0 GFADRO CO[C@H]1CCN(C(=O)NCCc2nc3cc(Cl)ccc3s2)[C@@H](C[NH3+])C1 ZINC000417884039 563890866 /nfs/dbraw/zinc/89/08/66/563890866.db2.gz WFICEVVFZANDIL-OLZOCXBDSA-N 1 0 382.917 2.640 20 0 GFADRO C[NH2+][C@H]1CCN(C(=O)N[C@H](C)c2nc(-c3ccc(Br)cc3)no2)C1 ZINC000417889862 563890957 /nfs/dbraw/zinc/89/09/57/563890957.db2.gz JYHWBYHJEYISLD-MFKMUULPSA-N 1 0 394.273 2.563 20 0 GFADRO C[NH+]1CCC(N2CC[C@@H](NC(=O)CSCc3ccc(Cl)cc3)C2)CC1 ZINC000369276914 563891420 /nfs/dbraw/zinc/89/14/20/563891420.db2.gz JDMXLDIKJBGWQD-QGZVFWFLSA-N 1 0 381.973 2.858 20 0 GFADRO CCn1cncc1C[NH2+]CCC(=O)N(C)Cc1ccccc1Br ZINC000417918320 563891750 /nfs/dbraw/zinc/89/17/50/563891750.db2.gz PAIJPUJAGKRMFQ-UHFFFAOYSA-N 1 0 379.302 2.804 20 0 GFADRO C[NH+](C)C1(CNCc2ccc(F)cc2I)CCOCC1 ZINC000417923550 563892342 /nfs/dbraw/zinc/89/23/42/563892342.db2.gz HAOCFNPTRWNLJV-UHFFFAOYSA-N 1 0 392.256 2.631 20 0 GFADRO C[C@H](Cc1cc(Br)ccc1F)NC(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000417950008 563892448 /nfs/dbraw/zinc/89/24/48/563892448.db2.gz WYXWCCKRRBYGJE-DYEKYZERSA-N 1 0 384.293 2.770 20 0 GFADRO C[C@H](Cc1c(Cl)cccc1Cl)NC(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000417951170 563892470 /nfs/dbraw/zinc/89/24/70/563892470.db2.gz WVMYYVLVQDRYEY-ZIAGYGMSSA-N 1 0 385.339 2.614 20 0 GFADRO CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000417986728 563893365 /nfs/dbraw/zinc/89/33/65/563893365.db2.gz OBMLCVZVPHTPJE-KOZAUXTDSA-N 1 0 384.318 2.965 20 0 GFADRO CC[NH+](CC)CCNC(=O)NCc1nc(-c2cccc(Br)c2)no1 ZINC000448100145 563893734 /nfs/dbraw/zinc/89/37/34/563893734.db2.gz YRKUAFVYIVRGMF-UHFFFAOYSA-N 1 0 396.289 2.640 20 0 GFADRO O=C(N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1)N[C@@H]1C[NH2+]CCC1(F)F ZINC000417975107 563893782 /nfs/dbraw/zinc/89/37/82/563893782.db2.gz AAJBCRRYURHHOR-IINYFYTJSA-N 1 0 393.265 2.869 20 0 GFADRO CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)N1CC[NH2+][C@@H](C)[C@@H]1C ZINC000417976151 563893826 /nfs/dbraw/zinc/89/38/26/563893826.db2.gz FNDRTMUFORVVFB-QCQGSNGOSA-N 1 0 384.318 2.917 20 0 GFADRO COC(=O)CSCCC(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1cccc(Cl)c1 ZINC000369358010 563893856 /nfs/dbraw/zinc/89/38/56/563893856.db2.gz JKFSYALRUSIFLA-KSSFIOAISA-N 1 0 384.929 2.745 20 0 GFADRO COc1cc(Br)ccc1CCCNC(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000417998630 563894116 /nfs/dbraw/zinc/89/41/16/563894116.db2.gz HFUUMEWEJNOCPN-GJZGRUSLSA-N 1 0 396.329 2.641 20 0 GFADRO [NH3+][C@H](CNC(=O)NC1CCN(Cc2cc(Cl)cc(Cl)c2)CC1)C1CC1 ZINC000417998444 563894200 /nfs/dbraw/zinc/89/42/00/563894200.db2.gz SXRCKTWNXZPRCL-QGZVFWFLSA-N 1 0 385.339 2.994 20 0 GFADRO O=C(N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000418003797 563894530 /nfs/dbraw/zinc/89/45/30/563894530.db2.gz MZTIQZOEIFLLDX-ACJLOTCBSA-N 1 0 383.323 2.967 20 0 GFADRO O=C(NCCC[C@@H]1CCC[NH2+]1)NCc1cc(Br)cc2c1OCC2 ZINC000418014416 563895458 /nfs/dbraw/zinc/89/54/58/563895458.db2.gz OLEDTLMUSLLSKE-HNNXBMFYSA-N 1 0 382.302 2.715 20 0 GFADRO Cc1cc(Br)cc(NC(=O)C(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)c1 ZINC000448318861 563895931 /nfs/dbraw/zinc/89/59/31/563895931.db2.gz CWBLARLOKQRMKZ-HNNXBMFYSA-N 1 0 396.329 2.933 20 0 GFADRO COCC[C@]1([NH2+]Cc2ccc(F)cc2I)CCOC1 ZINC000418029392 563895967 /nfs/dbraw/zinc/89/59/67/563895967.db2.gz INXWIAOGYMXLMS-AWEZNQCLSA-N 1 0 379.213 2.716 20 0 GFADRO Cc1ccc(Br)cc1CNC(=O)N1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000418042109 563896324 /nfs/dbraw/zinc/89/63/24/563896324.db2.gz BBNNCLHBUSPSNC-OAHLLOKOSA-N 1 0 396.329 2.654 20 0 GFADRO CC(C)([NH3+])CNC(=O)NCc1cc(Br)ccc1Br ZINC000418051603 563896792 /nfs/dbraw/zinc/89/67/92/563896792.db2.gz YQLSQLWHECDYJH-UHFFFAOYSA-N 1 0 379.096 2.748 20 0 GFADRO [NH3+]C[C@@H]1CCCCN1C(=O)N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000418056326 563896781 /nfs/dbraw/zinc/89/67/81/563896781.db2.gz CNOOKIYDPINWSN-GXTWGEPZSA-N 1 0 385.295 2.622 20 0 GFADRO CCn1c(CNC(=O)N2C[C@@H](C[NH3+])C[C@H]2C)nc2cc(Br)ccc21 ZINC000418064129 563897307 /nfs/dbraw/zinc/89/73/07/563897307.db2.gz IYFKYPVICKWJDJ-VXGBXAGGSA-N 1 0 394.317 2.697 20 0 GFADRO [NH3+]CCCNC(=O)N[C@@H](Cc1ccccn1)c1ccc(Br)cc1 ZINC000418065707 563897426 /nfs/dbraw/zinc/89/74/26/563897426.db2.gz MDQPXRLUSNDEJQ-INIZCTEOSA-N 1 0 377.286 2.776 20 0 GFADRO CCn1c(CNC(=O)N2CC[C@](C)(C[NH3+])C2)nc2cc(Br)ccc21 ZINC000418064164 563897515 /nfs/dbraw/zinc/89/75/15/563897515.db2.gz IZGWNAGGMTVJSH-QGZVFWFLSA-N 1 0 394.317 2.699 20 0 GFADRO [NH3+]CC[C@H](NC(=O)N[C@@H]1CSc2ccc(Br)cc21)C(F)F ZINC000418106004 563898994 /nfs/dbraw/zinc/89/89/94/563898994.db2.gz WOMGNECSFWWFFJ-VHSXEESVSA-N 1 0 380.258 2.878 20 0 GFADRO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1Cc1ccc(Br)c2cccnc12 ZINC000418108595 563899089 /nfs/dbraw/zinc/89/90/89/563899089.db2.gz GTEIGEDUFBFYKK-KBPBESRZSA-N 1 0 378.314 2.884 20 0 GFADRO O=C(NCCC[C@H]1CCC[NH2+]1)N[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000418106231 563899126 /nfs/dbraw/zinc/89/91/26/563899126.db2.gz XEGAHEPALAHOGG-CVEARBPZSA-N 1 0 395.345 2.859 20 0 GFADRO CCCN(C(=O)N[C@H]1CCN(c2cccc(Br)c2)C1)[C@H]1CC[NH2+]C1 ZINC000418098678 563899159 /nfs/dbraw/zinc/89/91/59/563899159.db2.gz MHKVHCKWCNYCRB-RDJZCZTQSA-N 1 0 395.345 2.811 20 0 GFADRO CC[NH2+]CCNC(=O)N[C@@H](C)CCc1ccc(I)cc1 ZINC000418118450 563899383 /nfs/dbraw/zinc/89/93/83/563899383.db2.gz VVORPMQQLPHSQP-LBPRGKRZSA-N 1 0 389.281 2.521 20 0 GFADRO C[C@H](C[NH3+])CNC(=O)N[C@@H](C)CCc1ccc(I)cc1 ZINC000418116493 563899521 /nfs/dbraw/zinc/89/95/21/563899521.db2.gz QUWKVAKUNZDJTB-NEPJUHHUSA-N 1 0 389.281 2.506 20 0 GFADRO CCC[NH2+]CCNC(=O)NCc1ccc(I)c(Cl)c1 ZINC000418157670 563900296 /nfs/dbraw/zinc/90/02/96/563900296.db2.gz MWZCOGJVGVQAGF-UHFFFAOYSA-N 1 0 395.672 2.743 20 0 GFADRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)N[C@@H]1COc2cc(F)c(Br)cc21 ZINC000418156229 563900445 /nfs/dbraw/zinc/90/04/45/563900445.db2.gz LKUCDBMMTKAZDZ-QCZZGDTMSA-N 1 0 386.265 2.838 20 0 GFADRO Cc1ccc(C(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)c(Cl)c1Cl ZINC000448864431 563902368 /nfs/dbraw/zinc/90/23/68/563902368.db2.gz BREQALNKNYETSX-AWEZNQCLSA-N 1 0 386.323 2.974 20 0 GFADRO C[N@H+](Cc1ccnc2c(Br)cccc12)C1CCN(CCO)CC1 ZINC000449027978 563905428 /nfs/dbraw/zinc/90/54/28/563905428.db2.gz MTGXPLYTSYRKNG-UHFFFAOYSA-N 1 0 378.314 2.886 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CNCc1cc(Br)ccc1O[C@@H](C)C(=O)NC ZINC000449058271 563906597 /nfs/dbraw/zinc/90/65/97/563906597.db2.gz HVCGMAOIOLFLIZ-BBRMVZONSA-N 1 0 398.345 2.536 20 0 GFADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNCc1cccc(F)c1Br ZINC000449112811 563907034 /nfs/dbraw/zinc/90/70/34/563907034.db2.gz SVOWDHGYTSNTDS-HNNXBMFYSA-N 1 0 386.309 2.621 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]CCc1cscn1 ZINC000449171070 563907211 /nfs/dbraw/zinc/90/72/11/563907211.db2.gz SNGZMHKYWSLGEB-NSHDSACASA-N 1 0 398.326 2.751 20 0 GFADRO [NH3+]CC[C@H](NC(=O)COc1ccc(Br)cc1Cl)C(F)(F)F ZINC000449714031 564197893 /nfs/dbraw/zinc/19/78/93/564197893.db2.gz BEELUWAQWYTAEM-JTQLQIEISA-N 1 0 389.599 2.877 20 0 GFADRO COc1ccc2c(c1)C[C@H]([NH2+]CCN(C)S(=O)(=O)c1cccs1)CC2 ZINC000537949688 564178416 /nfs/dbraw/zinc/17/84/16/564178416.db2.gz QVRHYAGGPRTKJZ-MRXNPFEDSA-N 1 0 380.535 2.524 20 0 GFADRO CC[C@@H](CCc1ccc(Br)cc1)[NH2+]C[C@@H]1CS(=O)(=O)CCO1 ZINC000537951732 564178527 /nfs/dbraw/zinc/17/85/27/564178527.db2.gz AEPSSQCMKLIDTI-JKSUJKDBSA-N 1 0 390.343 2.564 20 0 GFADRO CS(=O)(=O)NC[C@H]1CCC[C@H]1[NH2+]Cc1cnc(-c2ccccc2F)s1 ZINC000449305449 564179868 /nfs/dbraw/zinc/17/98/68/564179868.db2.gz GMXIJGIVNXZBTH-MLGOLLRUSA-N 1 0 383.514 2.757 20 0 GFADRO C[C@@H]1CC[NH2+][C@H](C)[C@H]1NCc1csc(-c2ccc(S(C)(=O)=O)cc2)n1 ZINC000563215564 564179960 /nfs/dbraw/zinc/17/99/60/564179960.db2.gz QYPHTJIXWAVPOE-XNJGSVPQSA-N 1 0 379.551 2.690 20 0 GFADRO C[N@H+](CC1CC1)C[C@@H]1CCN([C@H](C(N)=O)c2ccc(Br)cc2)C1 ZINC000470958536 564180697 /nfs/dbraw/zinc/18/06/97/564180697.db2.gz KHGYFHKIOONWRE-YOEHRIQHSA-N 1 0 380.330 2.639 20 0 GFADRO CS(=O)(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3cccc(Br)c3)o2)C1 ZINC000563255019 564182352 /nfs/dbraw/zinc/18/23/52/564182352.db2.gz BTNMBHNCULIMCH-CQSZACIVSA-N 1 0 399.310 2.833 20 0 GFADRO CCC[C@H](C[NH2+]Cc1cc(Br)ccc1O[C@H](C)C(=O)NC)OC ZINC000449373926 564182393 /nfs/dbraw/zinc/18/23/93/564182393.db2.gz CYFSXGFILQASCM-IUODEOHRSA-N 1 0 387.318 2.867 20 0 GFADRO Cn1c(C[NH2+]CCn2cc(Br)ccc2=O)nc2cc(Cl)ccc21 ZINC000449378025 564183257 /nfs/dbraw/zinc/18/32/57/564183257.db2.gz QEKUNSISFYUNNF-UHFFFAOYSA-N 1 0 395.688 2.941 20 0 GFADRO COc1ccc2c(c1)C[C@@H]([NH2+]CCn1cc(Br)ccc1=O)CC2 ZINC000449374830 564183327 /nfs/dbraw/zinc/18/33/27/564183327.db2.gz GPVJJIGBEJWUNF-INIZCTEOSA-N 1 0 377.282 2.767 20 0 GFADRO CC1(C)CN(CCNC(=O)CCOc2ccc(Cl)c(Cl)c2)CCO1 ZINC000505492397 564183986 /nfs/dbraw/zinc/18/39/86/564183986.db2.gz ZNZOVQSEGKXVSO-UHFFFAOYSA-N 1 0 375.296 2.989 20 0 GFADRO CCC(CC)[C@@H]([NH2+]CC(=O)N(CC)[C@@H]1CCS(=O)(=O)C1)c1cccs1 ZINC000538177498 564184194 /nfs/dbraw/zinc/18/41/94/564184194.db2.gz WYWKKLCJDBYNNJ-CRAIPNDOSA-N 1 0 386.583 2.851 20 0 GFADRO CCC(CC)[C@@H]([NH2+]CC(=O)N(CC)[C@H]1CCS(=O)(=O)C1)c1cccs1 ZINC000538177499 564184548 /nfs/dbraw/zinc/18/45/48/564184548.db2.gz WYWKKLCJDBYNNJ-MAUKXSAKSA-N 1 0 386.583 2.851 20 0 GFADRO C[C@@]1(O)CCC[N@H+](C[C@H](O)COc2cc(F)cc(Br)c2)CC1 ZINC000471079591 564184827 /nfs/dbraw/zinc/18/48/27/564184827.db2.gz CHUKIGLEUFFFAA-GOEBONIOSA-N 1 0 376.266 2.565 20 0 GFADRO OCCCN1CCC[C@H]1C[NH2+]Cc1cccc(Br)c1OC(F)F ZINC000449390786 564184936 /nfs/dbraw/zinc/18/49/36/564184936.db2.gz WVDSGGLJSMOXEQ-ZDUSSCGKSA-N 1 0 393.272 2.987 20 0 GFADRO CCOc1c(Br)cc(C[NH2+]C[C@H]2CCOC[C@@H]2OC)cc1OC ZINC000449455738 564186957 /nfs/dbraw/zinc/18/69/57/564186957.db2.gz LQMIPDLKTXEFGR-CJNGLKHVSA-N 1 0 388.302 2.998 20 0 GFADRO CCCOc1c(Cl)cc(C[NH2+][C@H](CC)CNS(C)(=O)=O)cc1OC ZINC000449443719 564187135 /nfs/dbraw/zinc/18/71/35/564187135.db2.gz VESNUXDWOFSOPT-CYBMUJFWSA-N 1 0 378.922 2.555 20 0 GFADRO C[C@H](c1ccc(S(C)(=O)=O)cc1)N1CCC([NH2+]C[C@@H]2CCSC2)CC1 ZINC000449515616 564188892 /nfs/dbraw/zinc/18/88/92/564188892.db2.gz AIWJGPVSSFLDOG-CVEARBPZSA-N 1 0 382.595 2.958 20 0 GFADRO CCOc1c(Br)cc(C(=O)NCC2=CC[N@H+](C)CC2)cc1OC ZINC000538338442 564189321 /nfs/dbraw/zinc/18/93/21/564189321.db2.gz MYHLPZHWKLOINX-UHFFFAOYSA-N 1 0 383.286 2.848 20 0 GFADRO CCN1C[C@H]([NH2+]Cc2cn(-c3ccc(Br)cc3)nc2C)CC1=O ZINC000449517417 564190301 /nfs/dbraw/zinc/19/03/01/564190301.db2.gz KEKWIFNVPGUTMM-OAHLLOKOSA-N 1 0 377.286 2.654 20 0 GFADRO O=C(NCc1cccc(Cl)c1Cl)C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000563453048 564192545 /nfs/dbraw/zinc/19/25/45/564192545.db2.gz CANZRYFDSBJCHI-OAHLLOKOSA-N 1 0 384.307 2.600 20 0 GFADRO CC1(C)C[NH2+]CC[C@H]1NC(=O)c1cnn(-c2ccc(Br)cc2)c1 ZINC000449697648 564196869 /nfs/dbraw/zinc/19/68/69/564196869.db2.gz LIAGEVCMSFJLIG-OAHLLOKOSA-N 1 0 377.286 2.753 20 0 GFADRO COc1cc(C)c(Br)cc1C(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000506136913 564197595 /nfs/dbraw/zinc/19/75/95/564197595.db2.gz MBCSYMDKMDCOMA-ZIAGYGMSSA-N 1 0 399.329 2.995 20 0 GFADRO C[C@@H](c1ccc(Br)cc1)N1CC[NH+]([C@H]2CCNC(=O)CC2)CC1 ZINC000449703272 564197716 /nfs/dbraw/zinc/19/77/16/564197716.db2.gz UDOYTZHPXHLGGG-WMLDXEAASA-N 1 0 380.330 2.796 20 0 GFADRO COc1ccc(Br)cc1C(=O)CCC(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000449709300 564198005 /nfs/dbraw/zinc/19/80/05/564198005.db2.gz IICLPZQIVCUWEH-WCQYABFASA-N 1 0 383.286 2.664 20 0 GFADRO COc1cc(Br)c(C[NH2+]CCC(=O)Nc2ccccn2)cc1O ZINC000538713871 564198418 /nfs/dbraw/zinc/19/84/18/564198418.db2.gz QLZAOHBVCFQFCF-UHFFFAOYSA-N 1 0 380.242 2.677 20 0 GFADRO O=C(NCc1cc(Br)cc2c1OCC2)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000563584838 564198421 /nfs/dbraw/zinc/19/84/21/564198421.db2.gz PAVNIUKNYVNEAI-XJKCOSOUSA-N 1 0 394.313 2.571 20 0 GFADRO C[C@H](CCc1ccc(I)cc1)NC(=O)N(C)CCC[NH3+] ZINC000563593394 564198466 /nfs/dbraw/zinc/19/84/66/564198466.db2.gz ONJKZQZSIBBNCJ-GFCCVEGCSA-N 1 0 389.281 2.603 20 0 GFADRO CC1(C)Cc2ccc(Br)cc2[C@@H]1NC(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000563606072 564199010 /nfs/dbraw/zinc/19/90/10/564199010.db2.gz SONLZDJLCSHIQJ-HOCLYGCPSA-N 1 0 396.329 2.750 20 0 GFADRO O=C(NC[C@@H]1CCC[NH2+]1)N1CCC(Oc2cccc(Br)c2)CC1 ZINC000563598410 564199271 /nfs/dbraw/zinc/19/92/71/564199271.db2.gz NSQQVGBZJCPBJT-AWEZNQCLSA-N 1 0 382.302 2.754 20 0 GFADRO [NH3+]CC[C@H](NC(=O)c1[nH]nc(-c2ccccc2)c1Br)C(F)(F)F ZINC000449725869 564199552 /nfs/dbraw/zinc/19/95/52/564199552.db2.gz VXXSFYPKGOKTDB-VIFPVBQESA-N 1 0 391.191 2.849 20 0 GFADRO COc1ccc(Br)cc1C(=O)CCC(=O)N[C@@H]1CC[NH2+]C1(C)C ZINC000449751160 564199844 /nfs/dbraw/zinc/19/98/44/564199844.db2.gz XWIMLQRHCYAGQA-OAHLLOKOSA-N 1 0 383.286 2.677 20 0 GFADRO CCCOc1c(Br)cc(C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)cc1OC ZINC000449739187 564199912 /nfs/dbraw/zinc/19/99/12/564199912.db2.gz JDPDMSJQEQFBSE-RISCZKNCSA-N 1 0 383.286 2.680 20 0 GFADRO C[C@@H](C[NH+]1CCCCC1)NS(=O)(=O)Cc1cccc(Br)c1 ZINC000563664418 564201152 /nfs/dbraw/zinc/20/11/52/564201152.db2.gz YUOYLGFKYLCUOT-ZDUSSCGKSA-N 1 0 375.332 2.743 20 0 GFADRO O[C@@H](C[NH2+]C[C@H]1COc2ccccc21)COc1cccc(Br)c1 ZINC000563706097 564203436 /nfs/dbraw/zinc/20/34/36/564203436.db2.gz JNPSTGWLKRWCID-ZFWWWQNUSA-N 1 0 378.266 2.955 20 0 GFADRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1ccc(I)cc1 ZINC000563733280 564204615 /nfs/dbraw/zinc/20/46/15/564204615.db2.gz MPRYDLIENSXZNY-IUODEOHRSA-N 1 0 384.261 2.990 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)c1cc(F)c(F)cc1I ZINC000471803272 564205205 /nfs/dbraw/zinc/20/52/05/564205205.db2.gz GHSBVTRKLARBML-MRVPVSSYSA-N 1 0 392.187 2.536 20 0 GFADRO CC(C)[N@H+](C)C[C@@H](C)NC(=O)Nc1ccc(S(C)(=O)=O)c(C(F)F)c1 ZINC000563756660 564205994 /nfs/dbraw/zinc/20/59/94/564205994.db2.gz QKMKFNSNKBAYAN-LLVKDONJSA-N 1 0 377.457 2.878 20 0 GFADRO COCCN(Cc1sccc1Br)C(=O)C[C@@H]1CSCC[NH2+]1 ZINC000563804951 564207723 /nfs/dbraw/zinc/20/77/23/564207723.db2.gz DGHIXSWYYQONCS-LLVKDONJSA-N 1 0 393.372 2.581 20 0 GFADRO Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)[NH2+]C[C@H]1CS(=O)(=O)CCO1 ZINC000539050001 564208373 /nfs/dbraw/zinc/20/83/73/564208373.db2.gz UXIJYKHHXLEAMR-CJNGLKHVSA-N 1 0 380.535 2.891 20 0 GFADRO C[C@@H](CCc1ccc(Cl)s1)[NH2+]CCS(=O)(=O)NC[C@@H]1CCCCO1 ZINC000539080758 564208622 /nfs/dbraw/zinc/20/86/22/564208622.db2.gz QDYPUTVIVLHCRN-KBPBESRZSA-N 1 0 394.990 2.801 20 0 GFADRO CC[C@H]1C[N@H+](C)CCN1C(=O)NCCC(=O)Nc1ccc(Br)cc1 ZINC000563868030 564210649 /nfs/dbraw/zinc/21/06/49/564210649.db2.gz JZWDGLBNLMDYEK-HNNXBMFYSA-N 1 0 397.317 2.513 20 0 GFADRO CC[NH+](CC)[C@H]1CCN(C(=O)c2c(F)cccc2I)C1 ZINC000472031832 564210678 /nfs/dbraw/zinc/21/06/78/564210678.db2.gz LUYFFTWYAPQGOU-NSHDSACASA-N 1 0 390.240 2.987 20 0 GFADRO C[C@H](NC(=O)NCCCCn1cc(Br)cn1)C(C)(C)C[NH+](C)C ZINC000472046662 564210956 /nfs/dbraw/zinc/21/09/56/564210956.db2.gz FXKUKUCMMFYCLC-ZDUSSCGKSA-N 1 0 388.354 2.701 20 0 GFADRO CN(C(=O)c1ccc(I)cc1F)[C@@H]1CCC[N@H+](C)C1 ZINC000449944737 564210989 /nfs/dbraw/zinc/21/09/89/564210989.db2.gz KJTAVSROPLBFRD-LLVKDONJSA-N 1 0 376.213 2.597 20 0 GFADRO COc1ccc(Br)cc1C(=O)CCC(=O)N[C@H](CC[NH3+])C(F)F ZINC000563885555 564211559 /nfs/dbraw/zinc/21/15/59/564211559.db2.gz ADTOPDGQLWARGR-LLVKDONJSA-N 1 0 393.228 2.519 20 0 GFADRO C[C@H]1CN(C(=O)c2ccccc2-n2cc(Br)cn2)C[C@@H]1[NH+](C)C ZINC000449985610 564211994 /nfs/dbraw/zinc/21/19/94/564211994.db2.gz MLWWWGROUKUSCX-LRDDRELGSA-N 1 0 377.286 2.657 20 0 GFADRO CCN(CCC[NH+](C)C)C(=O)C(=O)N[C@H](C)Cc1ccc(Cl)cc1Cl ZINC000563904816 564212078 /nfs/dbraw/zinc/21/20/78/564212078.db2.gz BSVVZKADQGQVGK-CYBMUJFWSA-N 1 0 388.339 2.841 20 0 GFADRO CSc1ccc(-c2nsc(NC(=O)NCCOCC[NH+](C)C)n2)cc1 ZINC000563915011 564212939 /nfs/dbraw/zinc/21/29/39/564212939.db2.gz FZRCBVOWFPBFQB-UHFFFAOYSA-N 1 0 381.527 2.627 20 0 GFADRO CN(CCC[NH3+])S(=O)(=O)c1cc(Br)c(Cl)cc1Cl ZINC000563958058 564214996 /nfs/dbraw/zinc/21/49/96/564214996.db2.gz YBNCWIZLYUQPOM-UHFFFAOYSA-N 1 0 376.103 2.725 20 0 GFADRO COC(=O)CCNC(=O)C[NH2+][C@H](c1ccc(Br)cc1)C1CCC1 ZINC000539276812 564215541 /nfs/dbraw/zinc/21/55/41/564215541.db2.gz NTEDZWOMIUACFA-KRWDZBQOSA-N 1 0 383.286 2.559 20 0 GFADRO CC[NH+](CC)CCO[C@H]1CCN(CC(=O)N(C)Cc2ccc(Cl)s2)C1 ZINC000472292546 564219012 /nfs/dbraw/zinc/21/90/12/564219012.db2.gz IOJBUJWFKHFBDA-HNNXBMFYSA-N 1 0 387.977 2.793 20 0 GFADRO O=C(NC[C@H](O)C[N@@H+]1CCc2ccccc2C1)c1ccsc1Br ZINC000450172664 564219968 /nfs/dbraw/zinc/21/99/68/564219968.db2.gz MIIXWFMKWKIDSO-AWEZNQCLSA-N 1 0 395.322 2.660 20 0 GFADRO Cc1ncc2c(n1)CC[C@H]([NH2+]Cc1cc3c(cc1Br)OCO3)C2 ZINC000539447150 564220323 /nfs/dbraw/zinc/22/03/23/564220323.db2.gz WJNLMLXCSAPHLG-ZDUSSCGKSA-N 1 0 376.254 2.923 20 0 GFADRO CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3cc4c(cc3Br)OCO4)[C@@H]2C1 ZINC000564121162 564220803 /nfs/dbraw/zinc/22/08/03/564220803.db2.gz YOBBDTADENRKHE-JGGQBBKZSA-N 1 0 395.297 2.914 20 0 GFADRO CN(C)S(=O)(=O)CCC[N@@H+]1CCCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000539490455 564221293 /nfs/dbraw/zinc/22/12/93/564221293.db2.gz BNGKFRQDUYXPEF-UHFFFAOYSA-N 1 0 394.368 2.787 20 0 GFADRO C[C@H](CNc1cc(Br)cnc1C(N)=O)[N@@H+]1CCc2ccccc2C1 ZINC000472495417 564224456 /nfs/dbraw/zinc/22/44/56/564224456.db2.gz GSOYPGLIUAPIDB-GFCCVEGCSA-N 1 0 389.297 2.802 20 0 GFADRO Cc1ccc([C@@H](CNc2cc(Br)cnc2C(N)=O)[NH+](C)C)cc1 ZINC000472497924 564224762 /nfs/dbraw/zinc/22/47/62/564224762.db2.gz KKFBWCDFTNAJDF-OAHLLOKOSA-N 1 0 377.286 2.966 20 0 GFADRO CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)c1c(Br)cnn1C ZINC000450316638 564226855 /nfs/dbraw/zinc/22/68/55/564226855.db2.gz HXVAFVIWPJNPHB-UHFFFAOYSA-N 1 0 392.301 2.566 20 0 GFADRO Cn1ccnc1[C@@H](NC(=O)C(=O)Nc1ccc(Br)cc1F)C1CC1 ZINC000507390719 564227563 /nfs/dbraw/zinc/22/75/63/564227563.db2.gz FWXYDVNOVJAPSK-ZDUSSCGKSA-N 1 0 395.232 2.528 20 0 GFADRO Cc1cc(Br)cn2cc(CN[C@@H]3CCOC[C@@H]3[C@H]3CCC[NH2+]3)nc12 ZINC000564320764 564228996 /nfs/dbraw/zinc/22/89/96/564228996.db2.gz OSSLYSTVWYMDRY-BRWVUGGUSA-N 1 0 393.329 2.652 20 0 GFADRO CN1CCC(CCO)([NH2+]Cc2ccc(Br)c3cccnc23)CC1 ZINC000472616977 564229601 /nfs/dbraw/zinc/22/96/01/564229601.db2.gz GKYFCYZPPURQFR-UHFFFAOYSA-N 1 0 378.314 2.934 20 0 GFADRO CN(CC[N@H+](C)C1CC1)c1ncnc2cccc(I)c21 ZINC000472671012 564230144 /nfs/dbraw/zinc/23/01/44/564230144.db2.gz UDQOFLSNCITXKY-UHFFFAOYSA-N 1 0 382.249 2.765 20 0 GFADRO C[C@H]([NH2+]CCS(=O)(=O)c1ccc(Br)cc1)[C@H]1CCCOC1 ZINC000507507587 564230527 /nfs/dbraw/zinc/23/05/27/564230527.db2.gz IGRVRMXIESJVSR-STQMWFEESA-N 1 0 376.316 2.628 20 0 GFADRO COCCOC[C@@H](O)C[N@H+](C)[C@H]1CCSc2ccc(Br)cc21 ZINC000450387680 564230676 /nfs/dbraw/zinc/23/06/76/564230676.db2.gz GZSVJUIUQZAPNK-ZFWWWQNUSA-N 1 0 390.343 2.942 20 0 GFADRO CC[NH+](CC)CC[C@H](CO)NC(=O)c1[nH]c2ccccc2c1Br ZINC000539920277 564232580 /nfs/dbraw/zinc/23/25/80/564232580.db2.gz IOMOXJWVAJXUDB-GFCCVEGCSA-N 1 0 382.302 2.753 20 0 GFADRO C[NH+](C)CCc1ccc(CNc2ccc(I)cn2)cc1 ZINC000450469285 564233378 /nfs/dbraw/zinc/23/33/78/564233378.db2.gz PPISUBIHQODTCP-UHFFFAOYSA-N 1 0 381.261 3.402 20 0 GFADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)NCCc1cccc(Cl)c1Cl ZINC000472904733 564236046 /nfs/dbraw/zinc/23/60/46/564236046.db2.gz ZXFNGSCGOXUOQX-CQSZACIVSA-N 1 0 387.355 2.861 20 0 GFADRO COCCOC[C@@H](O)C[NH2+]CC1(c2ccc(Cl)cc2Cl)CCOCC1 ZINC000564534126 564237621 /nfs/dbraw/zinc/23/76/21/564237621.db2.gz DWDDCSOGSQCPML-HNNXBMFYSA-N 1 0 392.323 2.655 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)C(=O)NC[C@@H](C)[NH+](CC)CC ZINC000472969196 564238385 /nfs/dbraw/zinc/23/83/85/564238385.db2.gz IHTKKZRAKOXJRH-GFCCVEGCSA-N 1 0 384.318 2.797 20 0 GFADRO CN(C(=O)N[C@H]1COc2cc(F)c(Br)cc21)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000564551906 564238564 /nfs/dbraw/zinc/23/85/64/564238564.db2.gz FCTWLSJTSKBLTP-XGQUHGFPSA-N 1 0 398.276 2.946 20 0 GFADRO COC(=O)CN(C)C(=O)CC[NH2+][C@@H](c1ccc(Br)cc1)C1CCC1 ZINC000540378144 564247134 /nfs/dbraw/zinc/24/71/34/564247134.db2.gz DFPRVFPODNQRAE-GOSISDBHSA-N 1 0 397.313 2.901 20 0 GFADRO C[N@H+](CCc1ccccc1)[C@H]1CCN(S(=O)(=O)c2cncc(Cl)c2)C1 ZINC000564739547 564247532 /nfs/dbraw/zinc/24/75/32/564247532.db2.gz JFTMRAVWXRBNOO-KRWDZBQOSA-N 1 0 379.913 2.673 20 0 GFADRO [NH3+]C[C@H]1CCCN(C(=O)C(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000564825253 564250481 /nfs/dbraw/zinc/25/04/81/564250481.db2.gz NYPMNECUQLSLMT-WBMJQRKESA-N 1 0 384.307 2.854 20 0 GFADRO COC[C@@]1(C(=O)N[C@H]2C[C@H](c3ccc(F)c(Br)c3)C2)CC[NH2+]C1 ZINC000564831262 564251023 /nfs/dbraw/zinc/25/10/23/564251023.db2.gz UCUJWVXMWYMBSO-PBFPGSCMSA-N 1 0 385.277 2.577 20 0 GFADRO CC[C@@H](C)[N@H+](C)CCNC(=O)Nc1ccc(S(C)(=O)=O)c(C(F)F)c1 ZINC000540528965 564251566 /nfs/dbraw/zinc/25/15/66/564251566.db2.gz CJJLLJBZOPQUSE-LLVKDONJSA-N 1 0 377.457 2.880 20 0 GFADRO C[C@@H](NC(=O)c1cn(-c2ccc(Br)cc2)cn1)[C@H]1CCC[NH2+]C1 ZINC000564837500 564251684 /nfs/dbraw/zinc/25/16/84/564251684.db2.gz PUKWIYVVRWMIPE-OLZOCXBDSA-N 1 0 377.286 2.753 20 0 GFADRO C[C@H](c1ccccc1)[C@@H](O)C[NH2+]CCNC(=O)c1cccc(Br)c1 ZINC000564849229 564252262 /nfs/dbraw/zinc/25/22/62/564252262.db2.gz RTBTXOPOPHPTEW-KDOFPFPSSA-N 1 0 391.309 2.933 20 0 GFADRO C[C@H](CC[NH2+]CC1(O)CCS(=O)(=O)CC1)c1cccc(C(F)(F)F)c1 ZINC000564848172 564252430 /nfs/dbraw/zinc/25/24/30/564252430.db2.gz DIQNCFMHPBLQBC-CYBMUJFWSA-N 1 0 379.444 2.728 20 0 GFADRO O[C@@H](C[NH2+]Cc1cnc2n1CCCC2)COc1cccc(Br)c1 ZINC000564869450 564253518 /nfs/dbraw/zinc/25/35/18/564253518.db2.gz XJTZMWWTEWSTHU-HNNXBMFYSA-N 1 0 380.286 2.511 20 0 GFADRO C[C@H](NC(=O)[C@@](C)([NH3+])c1ccc(Br)cc1)[C@H](O)Cc1ccccc1 ZINC000564934360 564258004 /nfs/dbraw/zinc/25/80/04/564258004.db2.gz KRAGEMGFRPEEJG-IRWQIABSSA-N 1 0 391.309 2.731 20 0 GFADRO CCN(CCC[NH+](CC)CC)C(=O)CCn1cc(Br)ccc1=O ZINC000508212217 564258495 /nfs/dbraw/zinc/25/84/95/564258495.db2.gz YDQVWYKQDDTMAW-UHFFFAOYSA-N 1 0 386.334 2.581 20 0 GFADRO O=C1CC[C@@H](C[N@@H+](CCn2ccnc2)Cc2ccc(Br)o2)CCN1 ZINC000450976709 564259120 /nfs/dbraw/zinc/25/91/20/564259120.db2.gz DCZHRZHCOYUXAJ-CQSZACIVSA-N 1 0 395.301 2.657 20 0 GFADRO CC(C)C[C@@H]([NH3+])c1noc(CN(C)S(=O)(=O)c2ccc(Cl)s2)n1 ZINC000564959562 564259632 /nfs/dbraw/zinc/25/96/32/564259632.db2.gz MQTCNWIVNVCIGW-SECBINFHSA-N 1 0 378.907 2.651 20 0 GFADRO COC(=O)C[C@@](C)([NH2+]C[C@@H]1CCNC(=O)CC1)c1ccc(Br)cc1 ZINC000450990935 564259808 /nfs/dbraw/zinc/25/98/08/564259808.db2.gz VPQXONHKFGIJCN-SCLBCKFNSA-N 1 0 397.313 2.733 20 0 GFADRO C[C@@H]1C[C@H](C[NH3+])CN1S(=O)(=O)Cc1cc(Cl)ccc1Br ZINC000564968207 564259977 /nfs/dbraw/zinc/25/99/77/564259977.db2.gz ULPPTWKEBRREHO-NXEZZACHSA-N 1 0 381.723 2.601 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)c(C)c1C(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000564995484 564261609 /nfs/dbraw/zinc/26/16/09/564261609.db2.gz XYHMCIFOBHLRGG-ZBEGNZNMSA-N 1 0 391.313 2.979 20 0 GFADRO C[NH2+]CCC1CCN(C(=O)Cc2cc3c(cc2Br)OCCO3)CC1 ZINC000564992765 564262079 /nfs/dbraw/zinc/26/20/79/564262079.db2.gz DLBGUAUYMVXEQZ-UHFFFAOYSA-N 1 0 397.313 2.611 20 0 GFADRO OC[C@H]([NH2+]C[C@@H](O)COCc1cccs1)c1ccc(C(F)(F)F)cc1 ZINC000541022789 564263333 /nfs/dbraw/zinc/26/33/33/564263333.db2.gz FUPDTTNULGAECX-ZBFHGGJFSA-N 1 0 375.412 2.968 20 0 GFADRO COc1cc(C)c(Br)cc1S(=O)(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000474107342 564264945 /nfs/dbraw/zinc/26/49/45/564264945.db2.gz XXQCZRBKPPSMSD-NEPJUHHUSA-N 1 0 391.331 2.527 20 0 GFADRO Cc1c(Br)cccc1S(=O)(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000474105642 564265024 /nfs/dbraw/zinc/26/50/24/564265024.db2.gz LIASUTRPXQRQHP-AWEZNQCLSA-N 1 0 387.343 2.864 20 0 GFADRO O=C1COc2ccc(C[NH+]3CCC(n4cc(Br)cn4)CC3)cc2N1 ZINC000508517466 564265441 /nfs/dbraw/zinc/26/54/41/564265441.db2.gz HKNLIHLXZXSYFZ-UHFFFAOYSA-N 1 0 391.269 2.814 20 0 GFADRO O=C1C[C@@H](C[NH2+]Cc2nc(-c3cccc(Br)c3)c[nH]2)CN1C1CC1 ZINC000565089835 564265847 /nfs/dbraw/zinc/26/58/47/564265847.db2.gz UIKSTARTEIMTOZ-LBPRGKRZSA-N 1 0 389.297 2.940 20 0 GFADRO COCC[NH+]1CCC(NC(=O)CCc2ccc(Br)cc2OC)CC1 ZINC000541169872 564267478 /nfs/dbraw/zinc/26/74/78/564267478.db2.gz MJSVGTDVIYHNFW-UHFFFAOYSA-N 1 0 399.329 2.617 20 0 GFADRO CC1CC[NH+](CCNC(=O)c2cc(I)ccc2F)CC1 ZINC000474157854 564267651 /nfs/dbraw/zinc/26/76/51/564267651.db2.gz KTFKGGCZNLWQTD-UHFFFAOYSA-N 1 0 390.240 2.892 20 0 GFADRO CC(C)[NH2+]C1(CO)CCN(CCC(=O)Nc2cccc(Br)c2)CC1 ZINC000565163403 564268555 /nfs/dbraw/zinc/26/85/55/564268555.db2.gz LGYVMEBXEAJZRG-UHFFFAOYSA-N 1 0 398.345 2.603 20 0 GFADRO O=C(N[C@H]1COc2cc(F)c(Br)cc21)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000508648047 564268565 /nfs/dbraw/zinc/26/85/65/564268565.db2.gz HLFGRSLPSILVBY-ABAIWWIYSA-N 1 0 396.260 2.677 20 0 GFADRO O=C(NCC[N@H+]1CC=CCC1)N[C@H]1COc2cc(F)c(Br)cc21 ZINC000508652692 564269724 /nfs/dbraw/zinc/26/97/24/564269724.db2.gz QOLQDPVWAVLECG-AWEZNQCLSA-N 1 0 384.249 2.583 20 0 GFADRO O=C(CC[NH2+]C1CC1)N(CCn1ccnc1)Cc1ccccc1Br ZINC000565222799 564271129 /nfs/dbraw/zinc/27/11/29/564271129.db2.gz VLFZPZPVAQNSTH-UHFFFAOYSA-N 1 0 391.313 2.817 20 0 GFADRO [NH3+][C@@H]1C[C@H]2CN(Cc3nc(-c4cc(Cl)ccc4Cl)cs3)CCN2C1=O ZINC000565232859 564271820 /nfs/dbraw/zinc/27/18/20/564271820.db2.gz FMVSWRFBTUKUDL-SMDDNHRTSA-N 1 0 397.331 2.861 20 0 GFADRO C[C@@H](CO)[N@@H+]1CCCN(C(=O)c2cc(Cl)c(Br)cc2F)CC1 ZINC000451089569 564272911 /nfs/dbraw/zinc/27/29/11/564272911.db2.gz RKFNFSUEGWZTMH-JTQLQIEISA-N 1 0 393.684 2.770 20 0 GFADRO CN(C)S(=O)(=O)CC[NH2+]Cc1ccc(-c2cccc(Br)c2)o1 ZINC000565332590 564275852 /nfs/dbraw/zinc/27/58/52/564275852.db2.gz HLZZCRVJIUTGPA-UHFFFAOYSA-N 1 0 387.299 2.690 20 0 GFADRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N[C@@H](C)c2ncc(Br)cn2)C1 ZINC000565340728 564276901 /nfs/dbraw/zinc/27/69/01/564276901.db2.gz BJYVRMODQWIRGM-STQMWFEESA-N 1 0 384.322 2.577 20 0 GFADRO CCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cc(C)c(Br)c(C)c1 ZINC000508946974 564276989 /nfs/dbraw/zinc/27/69/89/564276989.db2.gz JFOKZGSKECUOPX-HNNXBMFYSA-N 1 0 396.329 2.995 20 0 GFADRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)c1cn2cc(Cl)cc(Cl)c2n1 ZINC000508985620 564277686 /nfs/dbraw/zinc/27/76/86/564277686.db2.gz QHRTUOSGQZCLFP-CYBMUJFWSA-N 1 0 385.295 2.824 20 0 GFADRO CCN(CC)S(=O)(=O)Nc1cc(Cl)ccc1OC1CC[NH+](C)CC1 ZINC000451118864 564278256 /nfs/dbraw/zinc/27/82/56/564278256.db2.gz YVIAQOKQFRSMSU-UHFFFAOYSA-N 1 0 375.922 2.812 20 0 GFADRO CCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(Br)c(F)c1 ZINC000509000498 564279070 /nfs/dbraw/zinc/27/90/70/564279070.db2.gz QIMRKIQCRAKYHV-LBPRGKRZSA-N 1 0 386.265 2.517 20 0 GFADRO CC[N@@H+]1CCC[C@H](CNS(=O)(=O)Cc2ccc(Br)c(F)c2)C1 ZINC000451141434 564279245 /nfs/dbraw/zinc/27/92/45/564279245.db2.gz CLAHDZVNQBYARQ-CYBMUJFWSA-N 1 0 393.322 2.740 20 0 GFADRO CCC[N@H+](C)[C@H](CNC(=O)NC[C@]1(O)CCSC1)c1ccc(Cl)cc1 ZINC000509051138 564279591 /nfs/dbraw/zinc/27/95/91/564279591.db2.gz OEXMTGPLPXWBFA-SJLPKXTDSA-N 1 0 385.961 2.890 20 0 GFADRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)c1cn2cc(Cl)cc(Cl)c2n1 ZINC000509044903 564280032 /nfs/dbraw/zinc/28/00/32/564280032.db2.gz GTZHMSYQNKLPTD-NSHDSACASA-N 1 0 385.295 2.558 20 0 GFADRO CC[NH+]1CCN(CC(=O)N2CCC[C@@H]2c2ccc(Br)s2)CC1 ZINC000541486519 564280609 /nfs/dbraw/zinc/28/06/09/564280609.db2.gz IFBXJGOTMNDADR-CYBMUJFWSA-N 1 0 386.359 2.812 20 0 GFADRO CN(CC[N@H+](C)C1CC1)C(=O)CCNC(=O)Nc1ccc(Br)cc1 ZINC000474554696 564281681 /nfs/dbraw/zinc/28/16/81/564281681.db2.gz GBEUFFCCBKVMRT-UHFFFAOYSA-N 1 0 397.317 2.513 20 0 GFADRO [NH3+][C@@H](C(=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)C1CCC1 ZINC000565478492 564282649 /nfs/dbraw/zinc/28/26/49/564282649.db2.gz UUDWPXYOCXGPFU-CYBMUJFWSA-N 1 0 376.810 2.530 20 0 GFADRO COc1cc(CN2CC[C@@H]([NH3+])C[C@@H]2C)cc(I)c1OC ZINC000565488790 564282870 /nfs/dbraw/zinc/28/28/70/564282870.db2.gz STAXRQZOPPZXOW-CMPLNLGQSA-N 1 0 390.265 2.620 20 0 GFADRO C[NH+](C)CCc1ccccc1NC(=O)c1cnn2cc(Br)cnc12 ZINC000474629431 564284486 /nfs/dbraw/zinc/28/44/86/564284486.db2.gz NIHSZWDGISDGJS-UHFFFAOYSA-N 1 0 388.269 2.848 20 0 GFADRO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)Cc1ccc(Br)c(F)c1 ZINC000451186593 564284731 /nfs/dbraw/zinc/28/47/31/564284731.db2.gz DWHGFIKUIXAQIX-DGCLKSJQSA-N 1 0 391.306 2.587 20 0 GFADRO CC[C@H]([NH2+]CCS(=O)(=O)c1ccc(Br)cc1)[C@@H]1CCCO1 ZINC000541632940 564284940 /nfs/dbraw/zinc/28/49/40/564284940.db2.gz OMANMODIWHKGTQ-GJZGRUSLSA-N 1 0 376.316 2.770 20 0 GFADRO CN(C1(C[NH3+])CCC1)S(=O)(=O)Cc1cc(Cl)ccc1Br ZINC000565539991 564285553 /nfs/dbraw/zinc/28/55/53/564285553.db2.gz YEOYTSLUCIEORW-UHFFFAOYSA-N 1 0 381.723 2.746 20 0 GFADRO Cc1cc(C(=O)N2C[C@@H](C[NH3+])C3(C2)CCOCC3)c(C)cc1Br ZINC000565538409 564285724 /nfs/dbraw/zinc/28/57/24/564285724.db2.gz JFGBDVGWIOSGNE-CQSZACIVSA-N 1 0 381.314 2.893 20 0 GFADRO COc1ccc(I)c(NC(=O)N(C)CCC[NH+](C)C)c1 ZINC000541744986 564286808 /nfs/dbraw/zinc/28/68/08/564286808.db2.gz BLHVWNNDXDBBGI-UHFFFAOYSA-N 1 0 391.253 2.715 20 0 GFADRO CCS(=O)(=O)N1CCC(C[NH2+]Cc2ccc(Br)c(F)c2)CC1 ZINC000541778971 564288878 /nfs/dbraw/zinc/28/88/78/564288878.db2.gz JQDMHQYJDYFFCA-UHFFFAOYSA-N 1 0 393.322 2.740 20 0 GFADRO C[C@H](CCc1ccc(I)cc1)[NH2+]C[C@@H](O)[C@H]1CCOC1 ZINC000474798802 564289084 /nfs/dbraw/zinc/28/90/84/564289084.db2.gz AGPYXMSQULUGIE-IVMMDQJWSA-N 1 0 389.277 2.599 20 0 GFADRO C[C@H](CCc1ccc(I)cc1)[NH2+]C[C@@H](O)[C@@H]1CCOC1 ZINC000474798803 564289606 /nfs/dbraw/zinc/28/96/06/564289606.db2.gz AGPYXMSQULUGIE-XNRPHZJLSA-N 1 0 389.277 2.599 20 0 GFADRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)S(=O)(=O)Cc1ccc(Br)c(F)c1 ZINC000451241021 564289915 /nfs/dbraw/zinc/28/99/15/564289915.db2.gz IVJYOQDZDDIXDD-ABAIWWIYSA-N 1 0 393.322 2.690 20 0 GFADRO C[C@@H](CCc1ccc(I)cc1)[NH2+][C@H]1CCC(=O)N(C)C1 ZINC000474815528 564290511 /nfs/dbraw/zinc/29/05/11/564290511.db2.gz ZEDVZMLSMLEPSB-WFASDCNBSA-N 1 0 386.277 2.823 20 0 GFADRO CCCN(CCS(=O)(=O)N(C)C)CC(=O)Nc1cc(Cl)ccc1Cl ZINC000509261734 564290453 /nfs/dbraw/zinc/29/04/53/564290453.db2.gz DOOVRHXYKXLIBF-UHFFFAOYSA-N 1 0 396.340 2.535 20 0 GFADRO C[N@H+](C[C@@H](O)COc1ccc(Cl)cc1Br)CC(C)(C)CO ZINC000451246569 564291550 /nfs/dbraw/zinc/29/15/50/564291550.db2.gz KGEGPJMMEOSNDC-GFCCVEGCSA-N 1 0 380.710 2.793 20 0 GFADRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1c(F)ccc(I)c1F ZINC000474877272 564292140 /nfs/dbraw/zinc/29/21/40/564292140.db2.gz GAOPGUHFCZQSMR-PELKAZGASA-N 1 0 394.203 2.574 20 0 GFADRO COc1c(C)cc(C)cc1S(=O)(=O)N1C[C@H](SC)[C@@H]([NH+]2CCCC2)C1 ZINC000509287951 564292272 /nfs/dbraw/zinc/29/22/72/564292272.db2.gz PBBIJFFLGXTMJL-HOTGVXAUSA-N 1 0 384.567 2.512 20 0 GFADRO CNC(=O)[C@H]1CCC[C@@H]1[NH2+]Cc1c(F)ccc(I)c1F ZINC000474877275 564292277 /nfs/dbraw/zinc/29/22/77/564292277.db2.gz GAOPGUHFCZQSMR-UFBFGSQYSA-N 1 0 394.203 2.574 20 0 GFADRO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(CC)CC)c1 ZINC000565717055 564292535 /nfs/dbraw/zinc/29/25/35/564292535.db2.gz PSKHSWQGIASGQK-ZFWWWQNUSA-N 1 0 387.933 2.697 20 0 GFADRO CNC(=O)[C@@H]([NH2+][C@@H](C)CCc1ccc(I)cc1)C(C)C ZINC000474889489 564292756 /nfs/dbraw/zinc/29/27/56/564292756.db2.gz SCQGLWZVANENMQ-WFASDCNBSA-N 1 0 388.293 2.973 20 0 GFADRO C[C@H]([NH2+]CCc1ccc(S(=O)(=O)N2CCCCC2)s1)[C@H]1CCCOC1 ZINC000541882611 564293516 /nfs/dbraw/zinc/29/35/16/564293516.db2.gz XCJAMMSOFNSLRF-HOTGVXAUSA-N 1 0 386.583 2.870 20 0 GFADRO O[C@H](COc1c(Cl)cccc1Cl)C[N@@H+]1C[C@H](O)C[C@@H]1[C@H]1CCCOC1 ZINC000451294648 564297559 /nfs/dbraw/zinc/29/75/59/564297559.db2.gz CNFMFIXILLUPCC-QDEZUTFSSA-N 1 0 390.307 2.595 20 0 GFADRO O[C@@H]1C[C@H]([C@H]2CCCOC2)[N@H+](CCOc2cc(F)cc(Br)c2)C1 ZINC000451302634 564298612 /nfs/dbraw/zinc/29/86/12/564298612.db2.gz KTXUGMCEBKTDGX-XGWLTEMNSA-N 1 0 388.277 2.829 20 0 GFADRO Cn1ncc(Br)c1C(=O)Nc1cccc2c1OCC[C@@H]2[NH+](C)C ZINC000451303282 564298969 /nfs/dbraw/zinc/29/89/69/564298969.db2.gz QMWTUYFGMONASI-ZDUSSCGKSA-N 1 0 379.258 2.820 20 0 GFADRO C[C@H]1C[N@H+](C)[C@@H](C)CN1CC(=O)Nc1c(F)cc(F)cc1Br ZINC000509449440 564300416 /nfs/dbraw/zinc/30/04/16/564300416.db2.gz MTPMNRUFGMPPQS-UWVGGRQHSA-N 1 0 376.245 2.690 20 0 GFADRO CC[NH+]1CCN(CCNC(=O)c2oc3c(cccc3Br)c2C)CC1 ZINC000509494486 564302588 /nfs/dbraw/zinc/30/25/88/564302588.db2.gz MPKBPSOMGRGFAY-UHFFFAOYSA-N 1 0 394.313 2.871 20 0 GFADRO CC[NH+](CC)C[C@@H]1CCN(S(=O)(=O)Cc2ccccc2Br)C1 ZINC000565969321 564304358 /nfs/dbraw/zinc/30/43/58/564304358.db2.gz SMABKXDYCFNEOC-AWEZNQCLSA-N 1 0 389.359 2.943 20 0 GFADRO O=C(c1cn(Cc2ccc(Cl)cc2Cl)nn1)N1CC[NH+]2CCC1CC2 ZINC000565995009 564305088 /nfs/dbraw/zinc/30/50/88/564305088.db2.gz VYFYGSXSOCRPPV-UHFFFAOYSA-N 1 0 380.279 2.553 20 0 GFADRO O=C(NCCOc1ncc(Cl)cc1Cl)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000565999621 564305911 /nfs/dbraw/zinc/30/59/11/564305911.db2.gz OMBCZDMVLLZAHE-CHWSQXEVSA-N 1 0 387.311 2.798 20 0 GFADRO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NC[C@H](O)COc1cccc(Cl)c1Cl ZINC000475344634 564306029 /nfs/dbraw/zinc/30/60/29/564306029.db2.gz XLKZAUVPULCWCS-XQQFMLRXSA-N 1 0 375.296 2.722 20 0 GFADRO Cc1cc(Br)cc(C)c1N1CCC[C@@H]([N@@H+]2CC[C@@H](CO)C2)C1=O ZINC000509640379 564307264 /nfs/dbraw/zinc/30/72/64/564307264.db2.gz FVLFFWZDEBSWSM-GDBMZVCRSA-N 1 0 381.314 2.876 20 0 GFADRO CC(C)n1ccc(C[C@@H](C)[NH2+][C@@H](C(N)=O)c2cccc(Br)c2)n1 ZINC000475434249 564308950 /nfs/dbraw/zinc/30/89/50/564308950.db2.gz MMSKGHZLOUKXOH-MLGOLLRUSA-N 1 0 379.302 2.974 20 0 GFADRO CNC(=O)CC[N@H+](C)[C@H]1CCCN(c2c(C)cc(Br)cc2C)C1=O ZINC000509669774 564309092 /nfs/dbraw/zinc/30/90/92/564309092.db2.gz YDYIMJLGOFTZEU-HNNXBMFYSA-N 1 0 396.329 2.629 20 0 GFADRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)c1cc(=O)[nH]c2c(Br)cccc12 ZINC000509670216 564309217 /nfs/dbraw/zinc/30/92/17/564309217.db2.gz ZJOVTFBFUFIYEQ-WDEREUQCSA-N 1 0 378.270 2.868 20 0 GFADRO O[C@H](C[NH2+]Cc1nnc2c(Cl)cc(C(F)(F)F)cn12)CC(F)(F)F ZINC000566107069 564309224 /nfs/dbraw/zinc/30/92/24/564309224.db2.gz DWBOAGIKKDVSSI-ZETCQYMHSA-N 1 0 376.688 2.804 20 0 GFADRO CN(Cc1ccccc1Br)C(=O)Cn1cc2c(n1)[C@@H]([NH3+])CCC2 ZINC000566103541 564309401 /nfs/dbraw/zinc/30/94/01/564309401.db2.gz YJZXYINFPZLWDM-HNNXBMFYSA-N 1 0 377.286 2.640 20 0 GFADRO C[C@@H](Oc1ccc(F)cc1Br)C(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000566102099 564309423 /nfs/dbraw/zinc/30/94/23/564309423.db2.gz LRZGXVKBSCLXCH-SJKOYZFVSA-N 1 0 385.277 2.958 20 0 GFADRO COc1cncc(S(=O)(=O)NC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)c1 ZINC000542314625 564309698 /nfs/dbraw/zinc/30/96/98/564309698.db2.gz SSTQUYCLVNACHN-DYVFJYSZSA-N 1 0 381.523 2.513 20 0 GFADRO C[C@@]1([NH2+]CCS(=O)(=O)c2ccc(Br)cc2)CCO[C@@H]1C1CC1 ZINC000542307854 564309881 /nfs/dbraw/zinc/30/98/81/564309881.db2.gz XZKCSWGKNNBIHW-HZPDHXFCSA-N 1 0 388.327 2.770 20 0 GFADRO CN(C)C(=O)C1([NH2+]C[C@H](O)COc2ccc(Br)cc2)CCCCC1 ZINC000451405538 564310517 /nfs/dbraw/zinc/31/05/17/564310517.db2.gz PJVCUUSQRWUYRL-HNNXBMFYSA-N 1 0 399.329 2.570 20 0 GFADRO CC(C)[C@@H](Oc1ccccc1Br)C(=O)NCCOCC[NH+](C)C ZINC000542457989 564313525 /nfs/dbraw/zinc/31/35/25/564313525.db2.gz XMRGJPZQFXZSBE-MRXNPFEDSA-N 1 0 387.318 2.547 20 0 GFADRO CCC[NH+]1CCC(CNS(=O)(=O)c2ccc(Br)cc2F)CC1 ZINC000475586641 564313742 /nfs/dbraw/zinc/31/37/42/564313742.db2.gz IAQWKYAJKOUOKT-UHFFFAOYSA-N 1 0 393.322 2.989 20 0 GFADRO COC[C@@H](C)[NH2+]C[C@@H]1CCCN1Cc1ccc(I)cc1 ZINC000475631720 564314313 /nfs/dbraw/zinc/31/43/13/564314313.db2.gz CGQMULDNCPQZKX-CJNGLKHVSA-N 1 0 388.293 2.880 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)c(C)c1C[N@@H+]1CC[C@@](C)(C(N)=O)C1 ZINC000475671624 564315304 /nfs/dbraw/zinc/31/53/04/564315304.db2.gz WTOJUZLXJCIBDY-GOSISDBHSA-N 1 0 391.313 2.949 20 0 GFADRO COCCN(Cc1sccc1Br)C(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000566197379 564316255 /nfs/dbraw/zinc/31/62/55/564316255.db2.gz ATFPKVRMZUTVMU-LBPRGKRZSA-N 1 0 387.343 2.875 20 0 GFADRO C[C@@H](NC(=O)c1nn(-c2ccc(Br)cc2)c2c1CCCC2)[C@H](C)[NH3+] ZINC000566214441 564317083 /nfs/dbraw/zinc/31/70/83/564317083.db2.gz JEMGOSIDUGJJQA-NWDGAFQWSA-N 1 0 391.313 2.979 20 0 GFADRO C[NH+]1CCN(Cc2ccc(NC(=O)C[C@H]3CCOC3)cc2Br)CC1 ZINC000475746591 564317470 /nfs/dbraw/zinc/31/74/70/564317470.db2.gz KOVASRSUKFTXTI-CQSZACIVSA-N 1 0 396.329 2.562 20 0 GFADRO OC[C@H](C[NH2+]C[C@@H](O)Cc1ccc(F)cc1)Cc1ccccc1Br ZINC000566231162 564318158 /nfs/dbraw/zinc/31/81/58/564318158.db2.gz LQCRWMOFCBSSJC-YJBOKZPZSA-N 1 0 396.300 2.932 20 0 GFADRO CC[C@H]1[NH2+]CC[C@@H]1C(=O)NC1(c2ccc(Br)cc2)CCOCC1 ZINC000566246684 564318848 /nfs/dbraw/zinc/31/88/48/564318848.db2.gz JTDQDTQEAUQPGV-JKSUJKDBSA-N 1 0 381.314 2.959 20 0 GFADRO CO[C@@H]1C[C@@H]([NH2+]CC(=O)N(C)Cc2cc(Br)cs2)C1(C)C ZINC000451495314 564319296 /nfs/dbraw/zinc/31/92/96/564319296.db2.gz LMIRYJJNDASKLH-CHWSQXEVSA-N 1 0 375.332 2.872 20 0 GFADRO Cc1csc(S(=O)(=O)N(C[C@@H](O)CC(C)(C)C)C2CC[NH+](C)CC2)c1 ZINC000451511700 564320532 /nfs/dbraw/zinc/32/05/32/564320532.db2.gz QKJGRZSDPUIMQT-INIZCTEOSA-N 1 0 388.599 2.939 20 0 GFADRO C[NH+](C)C1CN(C(=O)Nc2ccc(Cl)cc2I)C1 ZINC000542684046 564320795 /nfs/dbraw/zinc/32/07/95/564320795.db2.gz YTGKVVXMLXDAPB-UHFFFAOYSA-N 1 0 379.629 2.722 20 0 GFADRO Cc1csc(C(=O)N(C)CCC[N@@H+](C)CCN(C)C)c1Br ZINC000566340836 564323657 /nfs/dbraw/zinc/32/36/57/564323657.db2.gz TZSSWTGRWMGQEV-UHFFFAOYSA-N 1 0 376.364 2.775 20 0 GFADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@H](C)Cc1ccc(Br)cc1 ZINC000476183177 564329808 /nfs/dbraw/zinc/32/98/08/564329808.db2.gz QYIZPSFIHHPDSS-PBHICJAKSA-N 1 0 398.345 2.790 20 0 GFADRO CO[C@H]1C[C@@H](CN(C)C(=O)CCc2cccc(F)c2Br)[N@H+](C)C1 ZINC000451603523 564330029 /nfs/dbraw/zinc/33/00/29/564330029.db2.gz DHKSKUWWNXHFGE-KBPBESRZSA-N 1 0 387.293 2.698 20 0 GFADRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)N[C@H](CCO)c1ccccc1Br ZINC000542894458 564330584 /nfs/dbraw/zinc/33/05/84/564330584.db2.gz PVCIGKWNFWDTTJ-SUMWQHHRSA-N 1 0 396.329 2.656 20 0 GFADRO CC[NH+](CC)CCOC1CCN(S(=O)(=O)c2cccc(SC)c2)CC1 ZINC000510353053 564330688 /nfs/dbraw/zinc/33/06/88/564330688.db2.gz DRHPWPJSXVGBIB-UHFFFAOYSA-N 1 0 386.583 2.920 20 0 GFADRO CS(=O)(=O)c1ccc(Sc2ccccc2C(=O)NCCCC[NH3+])cc1 ZINC000510454897 564333663 /nfs/dbraw/zinc/33/36/63/564333663.db2.gz DBLAHWXTDBBGPR-UHFFFAOYSA-N 1 0 378.519 2.710 20 0 GFADRO CCc1sc(C(=O)NC[C@@H](O)C[NH+]2CCC(C)CC2)cc1Br ZINC000476319665 564334550 /nfs/dbraw/zinc/33/45/50/564334550.db2.gz DLSZNPMDMDUOBV-GFCCVEGCSA-N 1 0 389.359 2.896 20 0 GFADRO C[C@H](NC(=O)c1ccc(CC[NH+](C)C)cc1)c1ncc(Br)cn1 ZINC000566630870 564335475 /nfs/dbraw/zinc/33/54/75/564335475.db2.gz PYPKNFWJQRAVAW-LBPRGKRZSA-N 1 0 377.286 2.834 20 0 GFADRO COCCCOc1ccc(Cl)cc1S(=O)(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000476340159 564335826 /nfs/dbraw/zinc/33/58/26/564335826.db2.gz GOPUCFMXICIAHY-UKRRQHHQSA-N 1 0 390.933 2.516 20 0 GFADRO O=S(=O)(N[C@@H]1CCC[N@@H+](CCCO)C1)c1c(Cl)ccc2ccccc21 ZINC000451668962 564338417 /nfs/dbraw/zinc/33/84/17/564338417.db2.gz MFUVJINJLJSVCV-OAHLLOKOSA-N 1 0 382.913 2.618 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CNC(=O)C[C@@H]1CCCC[C@@H]1[NH3+] ZINC000566676023 564338366 /nfs/dbraw/zinc/33/83/66/564338366.db2.gz OLZCCFGPDBETTL-JSGCOSHPSA-N 1 0 382.302 2.720 20 0 GFADRO C[C@H]1C[C@@H](NC(=O)C2(c3cccc(Br)c3)CC(=O)C2)CC[N@@H+]1C ZINC000566744632 564341011 /nfs/dbraw/zinc/34/10/11/564341011.db2.gz FKCIXLJULRIWAC-WFASDCNBSA-N 1 0 379.298 2.649 20 0 GFADRO CCCC[N@H+](C)CCNC(=O)C1(c2cccc(Br)c2)CC(=O)C1 ZINC000566767765 564342024 /nfs/dbraw/zinc/34/20/24/564342024.db2.gz OMQKVJMNIRQCMW-UHFFFAOYSA-N 1 0 381.314 2.898 20 0 GFADRO O=S(=O)(c1ccc(C[NH2+][C@@H]2CCC[C@H]2CCCF)s1)N1CCOCC1 ZINC000510699589 564343737 /nfs/dbraw/zinc/34/37/37/564343737.db2.gz ZPGQFYOVGRKHQU-GOEBONIOSA-N 1 0 390.546 2.777 20 0 GFADRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)[C@H](c1ccc(Br)cc1)N1CCCC1 ZINC000566854768 564346733 /nfs/dbraw/zinc/34/67/33/564346733.db2.gz LTKKWQPMUIEHCZ-XYPHTWIQSA-N 1 0 380.330 2.700 20 0 GFADRO Cc1nn(C)c(NC(=O)N(C)CCC[NH3+])c1-c1ccc(Br)cc1 ZINC000566902530 564348300 /nfs/dbraw/zinc/34/83/00/564348300.db2.gz KSCQNHSHJXHVIZ-UHFFFAOYSA-N 1 0 380.290 2.971 20 0 GFADRO C[C@@H]([NH2+]C1CC1)C(=O)N1CCN([C@@H](C)c2ccc(Br)cc2)CC1 ZINC000566912754 564348490 /nfs/dbraw/zinc/34/84/90/564348490.db2.gz KIVXFJWDWRLRQD-KGLIPLIRSA-N 1 0 380.330 2.795 20 0 GFADRO O=C(CC(F)(F)F)NC[C@@H]1CCC[N@H+](CC[S@@](=O)c2ccccc2)C1 ZINC000510915651 564349305 /nfs/dbraw/zinc/34/93/05/564349305.db2.gz JMXMGKVJMQNHSD-HWRSSNJWSA-N 1 0 376.444 2.575 20 0 GFADRO C[NH+](C)[C@@H]1CCCN(c2ncnc3cccc(I)c32)C1 ZINC000543413396 564349353 /nfs/dbraw/zinc/34/93/53/564349353.db2.gz KFCKLPREEQSEIT-LLVKDONJSA-N 1 0 382.249 2.765 20 0 GFADRO C[C@@H]1CN(S(=O)(=O)Cc2ccc(Cl)cc2Br)CC[C@H]1[NH3+] ZINC000566914348 564349714 /nfs/dbraw/zinc/34/97/14/564349714.db2.gz LVDNXAVPQKNSQJ-NOZJJQNGSA-N 1 0 381.723 2.601 20 0 GFADRO CN(c1ncnc2cccc(I)c21)[C@@H]1CCC[N@H+](C)C1 ZINC000543414288 564349715 /nfs/dbraw/zinc/34/97/15/564349715.db2.gz WRJWSUWRWDQIJU-LLVKDONJSA-N 1 0 382.249 2.765 20 0 GFADRO O=C(CC(F)(F)F)NC[C@H]1CCC[N@H+](CC[S@](=O)c2ccccc2)C1 ZINC000510915652 564349814 /nfs/dbraw/zinc/34/98/14/564349814.db2.gz JMXMGKVJMQNHSD-PWECECGKSA-N 1 0 376.444 2.575 20 0 GFADRO C[C@H]([NH2+]C[C@H](O)COc1ccc(Br)cc1)C(=O)N1CCCC[C@@H]1C ZINC000566968692 564351574 /nfs/dbraw/zinc/35/15/74/564351574.db2.gz DUUDDQRCTQSAQD-DZKIICNBSA-N 1 0 399.329 2.568 20 0 GFADRO CCC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1cc(OC)ccc1Br ZINC000510992329 564353065 /nfs/dbraw/zinc/35/30/65/564353065.db2.gz ASFXEOOLTWBAJA-LBPRGKRZSA-N 1 0 391.331 2.610 20 0 GFADRO C[NH+](C)Cc1ccc(S(=O)(=O)NCCOc2ccc(Cl)c(F)c2)cc1 ZINC000451817711 564355542 /nfs/dbraw/zinc/35/55/42/564355542.db2.gz SMNPISAYIDYXBO-UHFFFAOYSA-N 1 0 386.876 2.898 20 0 GFADRO CC[C@@H](C)[NH+]1CCN([C@H]2CCN(c3cccc(Br)c3)C2=O)CC1 ZINC000451831810 564357256 /nfs/dbraw/zinc/35/72/56/564357256.db2.gz BCAQUEXRAXHDHF-PBHICJAKSA-N 1 0 380.330 2.971 20 0 GFADRO CCn1cc(Br)c(=O)c(NC(=O)c2ccc(C[NH+](C)C)cc2)c1 ZINC000543670050 564357880 /nfs/dbraw/zinc/35/78/80/564357880.db2.gz PCOHWWSXEUZQQG-UHFFFAOYSA-N 1 0 378.270 2.945 20 0 GFADRO NC(=O)[C@H](Cc1ccccc1)[NH2+][C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000543658959 564358240 /nfs/dbraw/zinc/35/82/40/564358240.db2.gz PQCZYRHURQTYTG-AEFFLSMTSA-N 1 0 388.309 2.714 20 0 GFADRO O[C@@H](C[NH2+]CC1(c2cccc(Br)c2)CCCC1)CN1CCOCC1 ZINC000567161035 564360006 /nfs/dbraw/zinc/36/00/06/564360006.db2.gz JOCPOMPWQUTEGN-SFHVURJKSA-N 1 0 397.357 2.544 20 0 GFADRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NCCCc1ccc(Cl)cc1Cl ZINC000477098633 564364403 /nfs/dbraw/zinc/36/44/03/564364403.db2.gz KGUVCXVZZMYDSV-CYBMUJFWSA-N 1 0 388.339 2.889 20 0 GFADRO C[C@H](NC(=O)N1CCN(Cc2ccc(Cl)s2)CC1)C1=CC[N@H+](C)CC1 ZINC000511273038 564364903 /nfs/dbraw/zinc/36/49/03/564364903.db2.gz LBJODSRJYRTHBE-AWEZNQCLSA-N 1 0 382.961 2.879 20 0 GFADRO CC[N@@H+]1CCCC[C@H]1C(=O)NCc1noc(-c2cccc(Br)c2)n1 ZINC000477157559 564367132 /nfs/dbraw/zinc/36/71/32/564367132.db2.gz RFXFJNGLMZNXRD-AWEZNQCLSA-N 1 0 393.285 2.990 20 0 GFADRO CS[C@@H]1CN(S(=O)(=O)c2cccc(Cl)c2F)C[C@H]1[NH+]1CCCC1 ZINC000477141863 564367251 /nfs/dbraw/zinc/36/72/51/564367251.db2.gz WMPKOZMNNJCRGL-CHWSQXEVSA-N 1 0 378.922 2.679 20 0 GFADRO Cn1[nH]c([C@@H]2CCCN2CCC(=O)Nc2c(Cl)cccc2Cl)nc1=N ZINC000567331170 564367218 /nfs/dbraw/zinc/36/72/18/564367218.db2.gz YEFIQIZUEFWRLK-LBPRGKRZSA-N 1 0 383.283 2.700 20 0 GFADRO O=C(C[C@@H]1COCC[NH2+]1)Nc1nc(-c2ccccc2)c(Br)s1 ZINC000567350467 564368019 /nfs/dbraw/zinc/36/80/19/564368019.db2.gz IZHKUULDUPWQJX-LLVKDONJSA-N 1 0 382.283 2.890 20 0 GFADRO C[C@H](CC[NH3+])NC(=O)c1nn(-c2ccc(Br)cc2)c2c1CCCC2 ZINC000477194185 564369033 /nfs/dbraw/zinc/36/90/33/564369033.db2.gz XYRMVGUPNOFQJB-GFCCVEGCSA-N 1 0 391.313 2.981 20 0 GFADRO O=C(NCC[C@@H]1CCC[NH2+]C1)N[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000567362580 564369282 /nfs/dbraw/zinc/36/92/82/564369282.db2.gz JJUXPMGYYIQDKA-GOEBONIOSA-N 1 0 395.345 2.717 20 0 GFADRO CN(CC[NH2+][C@@H](c1ccc(Cl)cc1)[C@H]1CN(C)CCO1)CC(F)(F)F ZINC000511383565 564371039 /nfs/dbraw/zinc/37/10/39/564371039.db2.gz YHFHPLJVWAVAKE-CVEARBPZSA-N 1 0 379.854 2.795 20 0 GFADRO CCOC(=O)COc1c(Br)cc(C)cc1C[NH2+][C@@H](C)C[C@@H](C)O ZINC000544031477 564371264 /nfs/dbraw/zinc/37/12/64/564371264.db2.gz IVYNGDZTWIWMPZ-QWHCGFSZSA-N 1 0 388.302 2.948 20 0 GFADRO COCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](Cc2cc(F)ccc2Br)C1 ZINC000511498360 564373300 /nfs/dbraw/zinc/37/33/00/564373300.db2.gz YNKNZWKYRUSRMZ-CHWSQXEVSA-N 1 0 387.293 2.951 20 0 GFADRO Cc1cccc(OC[C@@H](O)C[NH2+][C@@](C)(CO)c2ccc(Br)cc2)c1 ZINC000511566773 564375489 /nfs/dbraw/zinc/37/54/89/564375489.db2.gz NXRKUJDOGBCJML-HKUYNNGSSA-N 1 0 394.309 2.995 20 0 GFADRO COc1ccccc1NC(=O)C[NH2+][C@@](C)(CO)c1ccc(Br)cc1 ZINC000511622455 564377680 /nfs/dbraw/zinc/37/76/80/564377680.db2.gz KWJVZKTZKALJCX-SFHVURJKSA-N 1 0 393.281 2.894 20 0 GFADRO O=C(NCc1cc(Cl)cc(I)c1)[C@@H]1CCC[NH2+]C1 ZINC000567605103 564379469 /nfs/dbraw/zinc/37/94/69/564379469.db2.gz CMAPECBWQSZGPR-SNVBAGLBSA-N 1 0 378.641 2.560 20 0 GFADRO C[C@@H]1[NH2+]CC[C@H]1C(=O)N(CCn1ccnc1)Cc1ccccc1Br ZINC000567611151 564379506 /nfs/dbraw/zinc/37/95/06/564379506.db2.gz LUPVPMZPFYBMLY-GOEBONIOSA-N 1 0 391.313 2.672 20 0 GFADRO CCC[N@H+](C)CC(=O)N[C@H](CC(=O)OCC)c1cccc(Br)c1 ZINC000544249298 564380175 /nfs/dbraw/zinc/38/01/75/564380175.db2.gz HTLVLSYYDLABDQ-OAHLLOKOSA-N 1 0 385.302 2.901 20 0 GFADRO CC(C)[N@@H+]1CCC[C@H](NS(=O)(=O)c2cccc(Br)c2F)C1 ZINC000544347632 564382820 /nfs/dbraw/zinc/38/28/20/564382820.db2.gz NTJCHRMPASSUFW-NSHDSACASA-N 1 0 379.295 2.739 20 0 GFADRO CCC[C@H]([NH2+]C(C)C)C(=O)NCc1ccc(S(=O)(=O)N(CC)CC)s1 ZINC000477668347 564383338 /nfs/dbraw/zinc/38/33/38/564383338.db2.gz YAVZXPANDMSLTP-HNNXBMFYSA-N 1 0 389.587 2.562 20 0 GFADRO CC(C)CC[C@H](O)C[NH2+]CC(=O)Nc1ccc(I)cc1 ZINC000567708359 564384303 /nfs/dbraw/zinc/38/43/03/564384303.db2.gz MULIVVFQANKRRO-AWEZNQCLSA-N 1 0 390.265 2.616 20 0 GFADRO NS(=O)(=O)[C@@H]1CCC[N@H+](CCCCOc2ccccc2C(F)(F)F)C1 ZINC000544400795 564385109 /nfs/dbraw/zinc/38/51/09/564385109.db2.gz MKTCDWLJXVNJDO-CYBMUJFWSA-N 1 0 380.432 2.617 20 0 GFADRO CCOCCOC[C@H](O)C[NH2+][C@@H]1CCc2c1cc(Br)cc2F ZINC000477937434 564390490 /nfs/dbraw/zinc/39/04/90/564390490.db2.gz ZTZBPOFPYCNQHN-MLGOLLRUSA-N 1 0 376.266 2.579 20 0 GFADRO CC(C)[N@@H+]1CC[C@H](N(C)S(=O)(=O)N(C)Cc2c(F)cccc2Cl)C1 ZINC000452097978 564391879 /nfs/dbraw/zinc/39/18/79/564391879.db2.gz SAZXFKSXMWJEAY-ZDUSSCGKSA-N 1 0 377.913 2.570 20 0 GFADRO C[C@H](Oc1ccc(Cl)cc1Br)C(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000567846033 564392111 /nfs/dbraw/zinc/39/21/11/564392111.db2.gz RSZUNFSJJNHFOV-UFBFGSQYSA-N 1 0 397.647 2.983 20 0 GFADRO Cc1c(Br)cccc1C[N@@H+]1CCC[C@@](O)(C(=O)N2CCCC2)C1 ZINC000452102514 564392476 /nfs/dbraw/zinc/39/24/76/564392476.db2.gz VFJOHKYODQAUGS-SFHVURJKSA-N 1 0 381.314 2.707 20 0 GFADRO Cc1nc(S(=O)(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)sc1Br ZINC000544655256 564392497 /nfs/dbraw/zinc/39/24/97/564392497.db2.gz GJUVRVOGJFYTHD-SNVBAGLBSA-N 1 0 396.376 2.565 20 0 GFADRO C[C@@H](c1cccc(Br)c1)[N@@H+]1CCC[C@](O)(C(=O)N2CCCC2)C1 ZINC000452101804 564392806 /nfs/dbraw/zinc/39/28/06/564392806.db2.gz SZJMINRVEXZXPA-KBXCAEBGSA-N 1 0 381.314 2.959 20 0 GFADRO CCC[C@H]([NH2+]C(C)C)C(=O)N[C@@H](CO)c1ccc(Br)c(F)c1 ZINC000452123224 564395005 /nfs/dbraw/zinc/39/50/05/564395005.db2.gz MKFAABMMRHKKDH-GJZGRUSLSA-N 1 0 375.282 2.905 20 0 GFADRO CCC[C@@H]([NH2+]C(C)C)C(=O)N[C@@H](CO)c1ccc(Br)c(F)c1 ZINC000452123222 564395439 /nfs/dbraw/zinc/39/54/39/564395439.db2.gz MKFAABMMRHKKDH-CABCVRRESA-N 1 0 375.282 2.905 20 0 GFADRO C[NH+](C)C(C)(C)CNC(=O)[C@@H](c1cc(Cl)cc(Cl)c1)N1CCOCC1 ZINC000512288707 564397095 /nfs/dbraw/zinc/39/70/95/564397095.db2.gz FCSAIOMGEDNTTK-MRXNPFEDSA-N 1 0 388.339 2.823 20 0 GFADRO C[C@@H](Sc1ccccc1C(=O)NC[C@@H](c1ccsc1)[NH+](C)C)C(N)=O ZINC000512346797 564398693 /nfs/dbraw/zinc/39/86/93/564398693.db2.gz IIMYKHZKXREJGJ-DOMZBBRYSA-N 1 0 377.535 2.747 20 0 GFADRO O=C(N[C@H](CO)C[NH+]1CCCCC1)c1cc2cc(Br)ccc2o1 ZINC000512365185 564399824 /nfs/dbraw/zinc/39/98/24/564399824.db2.gz UBOKPLOWBFRWEZ-AWEZNQCLSA-N 1 0 381.270 2.772 20 0 GFADRO C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)N[C@H](CO)C[NH+]1CCCCC1 ZINC000512389527 564399949 /nfs/dbraw/zinc/39/99/49/564399949.db2.gz NGUMFVIWRMHHKX-STQMWFEESA-N 1 0 375.296 2.724 20 0 GFADRO C[C@@H](C[S@](C)=O)[NH2+]C1CCC(NC(=O)COc2ccc(Cl)cc2)CC1 ZINC000512401203 564400757 /nfs/dbraw/zinc/40/07/57/564400757.db2.gz XMECJQZHGWNSHY-FGNVZPTJSA-N 1 0 386.945 2.503 20 0 GFADRO C[C@@H]1C[C@H](N2CCOCC2)C[N@@H+]1C[C@H](O)COc1c(Cl)cccc1Cl ZINC000512450252 564402649 /nfs/dbraw/zinc/40/26/49/564402649.db2.gz QEOUJQDTKXXGDX-ILXRZTDVSA-N 1 0 389.323 2.528 20 0 GFADRO CCCc1csc(CNc2cccc(S(=O)(=O)NCC[NH+](C)C)c2)n1 ZINC000512616160 564406746 /nfs/dbraw/zinc/40/67/46/564406746.db2.gz CCGCRFGVUVJXRQ-UHFFFAOYSA-N 1 0 382.555 2.548 20 0 GFADRO Cc1c(Br)cc(C(=O)N[C@@H](CC(C)C)C[NH+]2CCCC2)c(=O)n1C ZINC000452347458 564406880 /nfs/dbraw/zinc/40/68/80/564406880.db2.gz ZXMCZGLGORTDOS-AWEZNQCLSA-N 1 0 398.345 2.697 20 0 GFADRO O=C(NC[C@@H]1CCC[N@H+]1CCCO)c1cc2c(cccc2Br)[nH]1 ZINC000452344009 564406947 /nfs/dbraw/zinc/40/69/47/564406947.db2.gz BXVUFLTXRLWSPT-LBPRGKRZSA-N 1 0 380.286 2.507 20 0 GFADRO O=C([C@@H]1CCCS1(=O)=O)N(CCC[NH+]1CCCC1)c1ccc(Cl)cc1 ZINC000568179528 564408159 /nfs/dbraw/zinc/40/81/59/564408159.db2.gz SIQOEFSPCXUSKQ-KRWDZBQOSA-N 1 0 384.929 2.736 20 0 GFADRO O=C(NC[C@H]1CCC[N@H+]1CCCO)C1(c2cc(F)cc(Br)c2)CC1 ZINC000452358007 564408385 /nfs/dbraw/zinc/40/83/85/564408385.db2.gz FNPGEAIKTUETLW-MRXNPFEDSA-N 1 0 399.304 2.583 20 0 GFADRO O=C(NC[C@@H]1CCC[N@H+]1CCCO)C1(c2ccc(Br)cc2)CCC1 ZINC000452369767 564408952 /nfs/dbraw/zinc/40/89/52/564408952.db2.gz RVOWFMKTCMCAGP-KRWDZBQOSA-N 1 0 395.341 2.834 20 0 GFADRO Cc1cc(C(=O)NC[C@@H]2CCC[N@@H+]2CCCO)cc(Cl)c1Br ZINC000452366525 564409178 /nfs/dbraw/zinc/40/91/78/564409178.db2.gz OQJMYUDGPBICRC-ZDUSSCGKSA-N 1 0 389.721 2.988 20 0 GFADRO CC1=CC[N@H+](CCNC(=O)C[C@H]2Sc3ccc(Cl)cc3NC2=O)CC1 ZINC000545154779 564409648 /nfs/dbraw/zinc/40/96/48/564409648.db2.gz WKPQYQALGFYTAG-MRXNPFEDSA-N 1 0 379.913 2.911 20 0 GFADRO O=C(COc1cc(Cl)c(Cl)cc1Cl)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000452371927 564410287 /nfs/dbraw/zinc/41/02/87/564410287.db2.gz BENJXMYOFIFIAF-LLVKDONJSA-N 1 0 395.714 2.989 20 0 GFADRO O=C(N[C@@H]1CCC[N@@H+](CCCO)C1)C1(Cc2ccccc2Br)CC1 ZINC000452381116 564411459 /nfs/dbraw/zinc/41/14/59/564411459.db2.gz IUHGWRSFABOVGD-MRXNPFEDSA-N 1 0 395.341 2.735 20 0 GFADRO CC[C@H](Cc1cccc(Br)c1)C(=O)NC[C@H]1CCCC[N@@H+]1CCO ZINC000452389862 564413018 /nfs/dbraw/zinc/41/30/18/564413018.db2.gz NAIOODYZSGLBQM-SJLPKXTDSA-N 1 0 397.357 2.981 20 0 GFADRO O=C(CCCc1ccc(Br)s1)NC[C@H]1CCCC[N@H+]1CCO ZINC000452393177 564413052 /nfs/dbraw/zinc/41/30/52/564413052.db2.gz SHKTXIOSYQNBNK-CYBMUJFWSA-N 1 0 389.359 2.796 20 0 GFADRO C[NH+](C)[C@@H](CNc1ncc(I)cn1)c1ccc(F)cc1 ZINC000545206314 564413457 /nfs/dbraw/zinc/41/34/57/564413457.db2.gz IBGNENBXOBJSEE-ZDUSSCGKSA-N 1 0 386.212 2.935 20 0 GFADRO CS(=O)(=O)N[C@H]1CCCC[C@@H]1C[NH2+]Cc1ccc(F)c(Br)c1 ZINC000512869291 564414560 /nfs/dbraw/zinc/41/45/60/564414560.db2.gz QANDAHRDOVWLTE-DOMZBBRYSA-N 1 0 393.322 2.786 20 0 GFADRO CC(=O)c1cc(Br)ccc1OCC(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000512960564 564416836 /nfs/dbraw/zinc/41/68/36/564416836.db2.gz BRWKKLHMZVMPHF-CQSZACIVSA-N 1 0 397.313 2.831 20 0 GFADRO CS[C@@H]1CN(C(=O)COc2cccc(Br)c2)C[C@H]1[NH+]1CCCC1 ZINC000545332575 564417842 /nfs/dbraw/zinc/41/78/42/564417842.db2.gz WAOQUMJBEGNEEL-HZPDHXFCSA-N 1 0 399.354 2.866 20 0 GFADRO CC(C)CC(=O)N1CCC([NH2+][C@@H](C)Cn2cc(Br)ccc2=O)CC1 ZINC000568422543 564418483 /nfs/dbraw/zinc/41/84/83/564418483.db2.gz OWDWDZBMRSPVRD-AWEZNQCLSA-N 1 0 398.345 2.626 20 0 GFADRO C[N@H+](C[C@@H](O)COc1ccc(Oc2ncc(Br)cn2)cc1)C1CC1 ZINC000568456787 564419377 /nfs/dbraw/zinc/41/93/77/564419377.db2.gz MNUDUQXZGURDDJ-CQSZACIVSA-N 1 0 394.269 2.865 20 0 GFADRO CCOc1cc(C[NH2+]CC(=O)NCc2ccco2)cc(Br)c1O ZINC000513080713 564419935 /nfs/dbraw/zinc/41/99/35/564419935.db2.gz NTHAZXXQBPOFTG-UHFFFAOYSA-N 1 0 383.242 2.552 20 0 GFADRO COC(=O)C[C@](C)([NH2+]CCN1CCOC[C@@H]1C)c1ccc(Br)cc1 ZINC000513123907 564420595 /nfs/dbraw/zinc/42/05/95/564420595.db2.gz XTPJPTIZYKPGJM-KSSFIOAISA-N 1 0 399.329 2.538 20 0 GFADRO CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)C[N@H+](C)[C@@H]1CCSC1 ZINC000478985491 564421435 /nfs/dbraw/zinc/42/14/35/564421435.db2.gz PNBZJOCXONHUEJ-LLVKDONJSA-N 1 0 390.336 2.828 20 0 GFADRO Cc1cc(Br)cn2cc(CNC(=O)N(C)CC[NH+]3CCCC3)nc12 ZINC000545413003 564422621 /nfs/dbraw/zinc/42/26/21/564422621.db2.gz NXYUFNXTYZXAOL-UHFFFAOYSA-N 1 0 394.317 2.642 20 0 GFADRO CC[NH+](CC)CCCNC(=O)NCc1cn2cc(Br)cc(C)c2n1 ZINC000545411971 564422741 /nfs/dbraw/zinc/42/27/41/564422741.db2.gz BKJAVRQFDRSFGO-UHFFFAOYSA-N 1 0 396.333 2.936 20 0 GFADRO C[C@H]([NH2+]C[C@H]1CCC[C@@H](O)C1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000479064761 564424247 /nfs/dbraw/zinc/42/42/47/564424247.db2.gz QYCKLDBOXNAIKU-GARJFASQSA-N 1 0 381.325 2.843 20 0 GFADRO Cn1cc2c(n1)CCC[C@H]2[NH2+]CCCNC(=O)c1cccc(Br)c1 ZINC000479060777 564424299 /nfs/dbraw/zinc/42/42/99/564424299.db2.gz NCOQNSIMTVEMQW-MRXNPFEDSA-N 1 0 391.313 2.970 20 0 GFADRO CN1CCN(C(=O)CC[NH2+][C@H](c2ccc(Br)cc2F)C2CC2)CC1 ZINC000479067823 564424337 /nfs/dbraw/zinc/42/43/37/564424337.db2.gz WMHBPQAAABGCEM-SFHVURJKSA-N 1 0 398.320 2.793 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H](C)c2ncc(Br)cn2)[C@@H](C)C1 ZINC000568600231 564425678 /nfs/dbraw/zinc/42/56/78/564425678.db2.gz HDLSHPGGVRFOBB-SCRDCRAPSA-N 1 0 384.322 2.672 20 0 GFADRO CC1(C)CC[C@H](C[NH2+]C[C@@H](O)COc2cc(F)cc(Br)c2)O1 ZINC000568621730 564427080 /nfs/dbraw/zinc/42/70/80/564427080.db2.gz FTNBQCOQYKGYJP-ZIAGYGMSSA-N 1 0 376.266 2.875 20 0 GFADRO O=C(CCOc1cccc(Cl)c1Cl)NC[C@@H]1CCCC[N@H+]1CCO ZINC000452803688 564432321 /nfs/dbraw/zinc/43/23/21/564432321.db2.gz XVIBFBKOOFLBJE-ZDUSSCGKSA-N 1 0 375.296 2.725 20 0 GFADRO C[C@@H](NC(=O)C[N@@H+]1CC[C@@H](C)C1)c1ccc(Br)cc1OCCCO ZINC000568762773 564433195 /nfs/dbraw/zinc/43/31/95/564433195.db2.gz IVELINXSQDWLOP-ZIAGYGMSSA-N 1 0 399.329 2.729 20 0 GFADRO CC(=O)N1CCC[N@H+](C[C@H]2CCCN(C(=O)c3csc(Cl)c3)C2)CC1 ZINC000452811875 564433331 /nfs/dbraw/zinc/43/33/31/564433331.db2.gz IFWGQEDBRFTMSE-OAHLLOKOSA-N 1 0 383.945 2.808 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)C1(c2ccc(Br)cc2)CCOCC1 ZINC000513600000 564433757 /nfs/dbraw/zinc/43/37/57/564433757.db2.gz SEZKWEACVREUST-MRXNPFEDSA-N 1 0 393.325 2.850 20 0 GFADRO Cc1nc(CSc2ccc(C(=O)NC[C@]3(O)CC[N@@H+](C)C3)cc2)cs1 ZINC000545861748 564434626 /nfs/dbraw/zinc/43/46/26/564434626.db2.gz BSNDADLVPLBXKO-GOSISDBHSA-N 1 0 377.535 2.540 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000479311878 564435689 /nfs/dbraw/zinc/43/56/89/564435689.db2.gz FIRMFODXNJMIKB-JKSUJKDBSA-N 1 0 394.313 2.693 20 0 GFADRO CCc1ncc(S(=O)(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)s1 ZINC000545891414 564436032 /nfs/dbraw/zinc/43/60/32/564436032.db2.gz YAJWVHLBIWGIAK-HOCLYGCPSA-N 1 0 379.551 2.894 20 0 GFADRO O=C(COc1ccsc1Cl)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000513717173 564436979 /nfs/dbraw/zinc/43/69/79/564436979.db2.gz MFGOBRXBSQWYNH-GOSISDBHSA-N 1 0 380.897 2.534 20 0 GFADRO COc1ccc(C(=O)N2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)c(Br)c1 ZINC000568870171 564439039 /nfs/dbraw/zinc/43/90/39/564439039.db2.gz SUXWZYDRECLLQM-IAGOWNOFSA-N 1 0 397.313 2.816 20 0 GFADRO Brc1ccc(N2CC[NH+](CCCO[C@H]3CCCCO3)CC2)nc1 ZINC000513962840 564443837 /nfs/dbraw/zinc/44/38/37/564443837.db2.gz GPOLGWXPNSEZSZ-KRWDZBQOSA-N 1 0 384.318 2.899 20 0 GFADRO C[NH+](C)CC1(CNS(=O)(=O)c2ccc(Br)s2)CCCC1 ZINC000546075972 564443996 /nfs/dbraw/zinc/44/39/96/564443996.db2.gz MIYFXAWFCDJYJM-UHFFFAOYSA-N 1 0 381.361 2.911 20 0 GFADRO O=C(NCCOc1ccc(Br)cc1)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000514048977 564444796 /nfs/dbraw/zinc/44/47/96/564444796.db2.gz HQPLJTGCXPSIRZ-CABCVRRESA-N 1 0 382.302 2.754 20 0 GFADRO CCS(=O)(=O)N(C)CCC[NH2+][C@@H](Cc1ccccc1Cl)[C@H]1CCCO1 ZINC000453067170 564445652 /nfs/dbraw/zinc/44/56/52/564445652.db2.gz XFPHKHLTELVMIT-ZWKOTPCHSA-N 1 0 388.961 2.691 20 0 GFADRO CN1CCN(C(=O)CC[N@@H+]2CCC[C@H]2c2ccc(Br)s2)CC1 ZINC000514239791 564447566 /nfs/dbraw/zinc/44/75/66/564447566.db2.gz RVQZPYTXBGXGCG-ZDUSSCGKSA-N 1 0 386.359 2.812 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)NCCN1CCc2sccc2C1)c1ccsc1 ZINC000514229570 564447627 /nfs/dbraw/zinc/44/76/27/564447627.db2.gz SAIMUJSPKDWOIU-MRXNPFEDSA-N 1 0 378.567 2.770 20 0 GFADRO CCOC(=O)[C@@H](C)[C@H](C)[NH2+]CCS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000514241554 564447770 /nfs/dbraw/zinc/44/77/70/564447770.db2.gz LEKCHWYRLMDPGV-QWRGUYRKSA-N 1 0 382.309 2.944 20 0 GFADRO C[C@H](CNC(=O)c1ccc2cc(I)ccc2n1)[NH+](C)C ZINC000479688491 564447840 /nfs/dbraw/zinc/44/78/40/564447840.db2.gz RJHYFMHGQYLQMI-SNVBAGLBSA-N 1 0 383.233 2.519 20 0 GFADRO CC(C)[C@@H](Cn1cccn1)[NH2+]C[C@@H](O)COc1ccccc1Br ZINC000453151447 564448507 /nfs/dbraw/zinc/44/85/07/564448507.db2.gz UUBOIMDAFUXTGY-GDBMZVCRSA-N 1 0 382.302 2.700 20 0 GFADRO COC1([C@@H](C)[NH2+]Cc2cn(-c3ccccc3Br)nn2)CCOCC1 ZINC000453157379 564448790 /nfs/dbraw/zinc/44/87/90/564448790.db2.gz IORSYTHVCQSDJW-CYBMUJFWSA-N 1 0 395.301 2.704 20 0 GFADRO C[C@H](CCO)CC[NH2+][C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000453231631 564449868 /nfs/dbraw/zinc/44/98/68/564449868.db2.gz IQBXMSVCFRCXOR-FZMZJTMJSA-N 1 0 376.316 2.666 20 0 GFADRO CC[C@@H](COCC(F)(F)F)[NH2+][C@H]1CCCc2cc(S(N)(=O)=O)ccc21 ZINC000453258159 564450672 /nfs/dbraw/zinc/45/06/72/564450672.db2.gz OFWAZUZNFRQYLN-WFASDCNBSA-N 1 0 380.432 2.659 20 0 GFADRO C[C@@]1(CNC(=O)N[C@H](c2cncc(Br)c2)C2CC2)CCC[NH2+]C1 ZINC000514590745 564450607 /nfs/dbraw/zinc/45/06/07/564450607.db2.gz DEDFAMDNIFLSHZ-DOTOQJQBSA-N 1 0 381.318 2.984 20 0 GFADRO CC[C@H](COCC(F)(F)F)[NH2+][C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000453255823 564451177 /nfs/dbraw/zinc/45/11/77/564451177.db2.gz KZYVVQFVHFOQAH-TZMCWYRMSA-N 1 0 382.448 2.945 20 0 GFADRO C[C@H]([NH2+][C@H]1CCCN(CCCO)C1)c1ccccc1I ZINC000453267242 564451242 /nfs/dbraw/zinc/45/12/42/564451242.db2.gz OZEJYHROVVIFQZ-KBPBESRZSA-N 1 0 388.293 2.789 20 0 GFADRO C[C@H](CCCCO)[NH2+][C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000453278234 564452153 /nfs/dbraw/zinc/45/21/53/564452153.db2.gz CECHQBBLSKYUOM-RISCZKNCSA-N 1 0 376.316 2.808 20 0 GFADRO C[C@@H](NCc1nn(C)cc1Br)c1ccc(OCC[NH+](C)C)cc1 ZINC000453312550 564452813 /nfs/dbraw/zinc/45/28/13/564452813.db2.gz VDBACZHTHFSVQK-CYBMUJFWSA-N 1 0 381.318 2.974 20 0 GFADRO CC(C)[N@@H+]1CCC[C@H](NC(=O)c2cccnc2-n2cc(Br)cn2)C1 ZINC000569196431 564452980 /nfs/dbraw/zinc/45/29/80/564452980.db2.gz GQCDTJQNBVZNLF-AWEZNQCLSA-N 1 0 392.301 2.632 20 0 GFADRO CO[C@@H]1COCC[C@H]1C[NH2+][C@@H](C)c1ccccc1I ZINC000453297872 564453309 /nfs/dbraw/zinc/45/33/09/564453309.db2.gz SICIZONWBWFUCS-SLEUVZQESA-N 1 0 375.250 2.993 20 0 GFADRO CC[C@H](Cn1cncn1)[NH2+]C[C@@H](CO)Cc1cccc(Br)c1C ZINC000453352207 564453790 /nfs/dbraw/zinc/45/37/90/564453790.db2.gz HHLATQQKIGHHGI-GOEBONIOSA-N 1 0 381.318 2.568 20 0 GFADRO Cc1ccc(C[C@H](CO)C[NH2+][C@@H](C)c2ccc(=O)[nH]n2)cc1Br ZINC000453344153 564454082 /nfs/dbraw/zinc/45/40/82/564454082.db2.gz DAEPHADVBVURCC-JSGCOSHPSA-N 1 0 380.286 2.755 20 0 GFADRO O=C(C[NH2+]C[C@H]1CCCO1)NCc1ccc(Br)cc1C(F)(F)F ZINC000569229266 564454114 /nfs/dbraw/zinc/45/41/14/564454114.db2.gz OUVLAHLVFXODGB-GFCCVEGCSA-N 1 0 395.219 2.853 20 0 GFADRO Cc1c([C@@H](C)[NH2+][C@@H]2CC[C@H](C(N)=O)C2)nnn1-c1cccc(Br)c1 ZINC000453363219 564454764 /nfs/dbraw/zinc/45/47/64/564454764.db2.gz MIEWDEKZXPKYEW-SCDSUCTJSA-N 1 0 392.301 2.643 20 0 GFADRO COc1ccc(C[C@@H](CO)C[NH2+][C@H](C)c2ccnn2C)cc1Br ZINC000453356092 564455210 /nfs/dbraw/zinc/45/52/10/564455210.db2.gz IIPKDCRLXFAIBK-TZMCWYRMSA-N 1 0 382.302 2.693 20 0 GFADRO CNC(=O)C[C@@H](C)[NH2+][C@@H](C)c1nnn(-c2cccc(Br)c2)c1C ZINC000453378298 564455836 /nfs/dbraw/zinc/45/58/36/564455836.db2.gz QGBPRAKGLIRBOQ-MNOVXSKESA-N 1 0 380.290 2.513 20 0 GFADRO CC[C@H]([NH2+][C@H]1CCCOc2ccc(I)cc21)C(=O)NC ZINC000453399460 564456918 /nfs/dbraw/zinc/45/69/18/564456918.db2.gz KBBHXBIVHUUFAL-STQMWFEESA-N 1 0 388.249 2.619 20 0 GFADRO CC[NH+](CC)CC[C@@H](CO)NC(=O)c1c(F)cc(Br)cc1F ZINC000514796028 564458464 /nfs/dbraw/zinc/45/84/64/564458464.db2.gz AKEKVNAISSVARO-NSHDSACASA-N 1 0 379.245 2.550 20 0 GFADRO Cc1cc(Cl)cc(NC(=O)C(=O)NC2CC[NH+](C)CC2)c1Br ZINC000453582979 564459531 /nfs/dbraw/zinc/45/95/31/564459531.db2.gz UWUMBRDHCABHBR-UHFFFAOYSA-N 1 0 388.693 2.560 20 0 GFADRO O=S1(=O)CCC(CC[NH2+]Cc2cc(Br)cc3c2OCC3)CC1 ZINC000546611013 564460942 /nfs/dbraw/zinc/46/09/42/564460942.db2.gz HPXIYDURUPBWCP-UHFFFAOYSA-N 1 0 388.327 2.689 20 0 GFADRO C[C@@H]1CN(C2CC2)C[C@H]1[NH2+][C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000480173088 564461915 /nfs/dbraw/zinc/46/19/15/564461915.db2.gz VCXFWSNOSJMNNJ-XFBWCDHKSA-N 1 0 399.354 2.740 20 0 GFADRO COc1cc(Br)c(CNC(=O)C[N@@H+]2CCC(C)(C)C2)cc1OC ZINC000514947602 564463519 /nfs/dbraw/zinc/46/35/19/564463519.db2.gz FFVAGGZRQXEJSC-UHFFFAOYSA-N 1 0 385.302 2.814 20 0 GFADRO CCC(O)(CC)C[NH2+][C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000480222091 564465011 /nfs/dbraw/zinc/46/50/11/564465011.db2.gz HHLYPZSHEBWHSP-ZDUSSCGKSA-N 1 0 376.316 2.808 20 0 GFADRO CC[C@H](C)[C@@H](O)C[NH2+][C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000480244717 564466194 /nfs/dbraw/zinc/46/61/94/564466194.db2.gz YORYMCYCKQSZRB-GDLCADMTSA-N 1 0 376.316 2.664 20 0 GFADRO C[NH+](C)[C@]1(CNC(=O)Cc2csc(Cc3ccccc3)n2)CCSC1 ZINC000480265018 564466980 /nfs/dbraw/zinc/46/69/80/564466980.db2.gz NELGOIYWZLANIL-IBGZPJMESA-N 1 0 375.563 2.830 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)C(=O)N(C)Cc2cc(Cl)cc(Cl)c2)C[N@@H+]1C1CC1 ZINC000569526944 564468194 /nfs/dbraw/zinc/46/81/94/564468194.db2.gz KXQAVMDXSFGAMM-IAQYHMDHSA-N 1 0 384.307 2.693 20 0 GFADRO C[C@H](NC(=O)N(C)CCC[NH3+])c1nc(-c2ccc(Br)cc2)no1 ZINC000569558693 564468771 /nfs/dbraw/zinc/46/87/71/564468771.db2.gz GXNOGKCRTNFNCQ-JTQLQIEISA-N 1 0 382.262 2.550 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)c2ncc(Br)cc2Br)CC[N@@H+]1C ZINC000546796887 564469095 /nfs/dbraw/zinc/46/90/95/564469095.db2.gz HEJHGUGGMJPMAG-PSASIEDQSA-N 1 0 391.107 2.819 20 0 GFADRO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)C[NH2+][C@@H](CO)C1CCCC1 ZINC000515095851 564469342 /nfs/dbraw/zinc/46/93/42/564469342.db2.gz QDUMCORERWEPQF-AWEZNQCLSA-N 1 0 389.279 2.859 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2c(F)cc(Br)cc2F)CC1 ZINC000569603493 564470655 /nfs/dbraw/zinc/47/06/55/564470655.db2.gz OBXLGZWJDRINKK-HIFRSBDPSA-N 1 0 389.240 2.696 20 0 GFADRO Cc1cc(Br)c(C(=O)NC2(CCO)CC[NH+](C)CC2)cc1Cl ZINC000569637640 564472378 /nfs/dbraw/zinc/47/23/78/564472378.db2.gz SXLIXQYFSTXWEU-UHFFFAOYSA-N 1 0 389.721 2.988 20 0 GFADRO O[C@@H](C[NH2+][C@H]1CCN(CC(F)(F)F)C1)COc1c(Cl)cccc1Cl ZINC000515234195 564473176 /nfs/dbraw/zinc/47/31/76/564473176.db2.gz BCFOORIWOOOAJJ-QWRGUYRKSA-N 1 0 387.229 2.959 20 0 GFADRO C[NH+](C)CC1(NS(=O)(=O)c2ccc(Br)c(Cl)c2)CCC1 ZINC000546905936 564473584 /nfs/dbraw/zinc/47/35/84/564473584.db2.gz VFOOFHJUKODYMV-UHFFFAOYSA-N 1 0 381.723 2.865 20 0 GFADRO CC(C)(CO)[C@@H]([NH2+]CCS(=O)(=O)c1ccc(Br)cc1)C1CC1 ZINC000569691480 564474430 /nfs/dbraw/zinc/47/44/30/564474430.db2.gz DBKOBCXKRBOSRP-HNNXBMFYSA-N 1 0 390.343 2.610 20 0 GFADRO COCC[NH2+]C1CCN([C@@H](C)C(=O)Nc2ccc(C)cc2Br)CC1 ZINC000515305883 564475070 /nfs/dbraw/zinc/47/50/70/564475070.db2.gz KLOXUFIZOWXFOS-AWEZNQCLSA-N 1 0 398.345 2.785 20 0 GFADRO O=C(NCCNc1cc[nH+]cc1)N[C@@H]1CCc2c1ccc(F)c2Br ZINC000515372418 564477436 /nfs/dbraw/zinc/47/74/36/564477436.db2.gz AIFRMJRWGOHHJG-OAHLLOKOSA-N 1 0 393.260 2.804 20 0 GFADRO COC(=O)c1cc(C[NH2+]Cc2cc(Br)c3c(c2)OCCO3)cn1C ZINC000569768639 564477823 /nfs/dbraw/zinc/47/78/23/564477823.db2.gz MOOQMUWJRZNPBE-UHFFFAOYSA-N 1 0 395.253 2.635 20 0 GFADRO CC1=CC[N@H+](CCNC(=O)c2c(F)cccc2I)CC1 ZINC000547293864 564483281 /nfs/dbraw/zinc/48/32/81/564483281.db2.gz ASAKQACFFCIUMJ-UHFFFAOYSA-N 1 0 388.224 2.812 20 0 GFADRO CC(C)(C[NH2+]C[C@@H](O)COC1CCOCC1)c1ccccc1Br ZINC000569921426 564483820 /nfs/dbraw/zinc/48/38/20/564483820.db2.gz RVLNZAQTAWAINM-CQSZACIVSA-N 1 0 386.330 2.873 20 0 GFADRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NCc1cc(Br)cc2c1OCC2 ZINC000547315249 564484559 /nfs/dbraw/zinc/48/45/59/564484559.db2.gz HEZKTUIUTXPNGF-BZNIZROVSA-N 1 0 394.313 2.666 20 0 GFADRO CCC(CC)(C[NH3+])C(=O)NCc1nc(-c2cccc(Br)c2)no1 ZINC000569929945 564485077 /nfs/dbraw/zinc/48/50/77/564485077.db2.gz YKVCPIKRXMRQNK-UHFFFAOYSA-N 1 0 381.274 2.880 20 0 GFADRO O=C(NC[C@H]1C[NH2+]CCO1)N1CCCC[C@@H]1Cc1cccc(Br)c1 ZINC000569957104 564485573 /nfs/dbraw/zinc/48/55/73/564485573.db2.gz HKTPDLICILGJSZ-IAGOWNOFSA-N 1 0 396.329 2.544 20 0 GFADRO CC[NH+](CC)[C@H]1CCN(S(=O)(=O)c2ccc(OC)cc2Br)C1 ZINC000480754394 564486520 /nfs/dbraw/zinc/48/65/20/564486520.db2.gz KJTWMIDKLQTOEL-LBPRGKRZSA-N 1 0 391.331 2.563 20 0 GFADRO CSc1nsc(NC(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)n1 ZINC000515835816 564488269 /nfs/dbraw/zinc/48/82/69/564488269.db2.gz FLEHMMMKVWQPKN-UONOGXRCSA-N 1 0 375.523 2.998 20 0 GFADRO FC(F)Oc1c(Br)cccc1C[NH2+][C@@H]1CCc2nnnn2CC1 ZINC000515827348 564488415 /nfs/dbraw/zinc/48/84/15/564488415.db2.gz ZXAXJNYFHCAVQZ-SNVBAGLBSA-N 1 0 388.216 2.532 20 0 GFADRO C[C@@H](CNC(=O)CNC(=O)c1ccc(Br)cc1)[N@@H+]1CCCC[C@H]1C ZINC000547449613 564488791 /nfs/dbraw/zinc/48/87/91/564488791.db2.gz QBCDYGXOQWYQIZ-KGLIPLIRSA-N 1 0 396.329 2.558 20 0 GFADRO CS(=O)(=O)N1CCCC[C@H]1C[NH2+][C@@H]1CCc2sc(Br)cc21 ZINC000516199304 564495927 /nfs/dbraw/zinc/49/59/27/564495927.db2.gz YLNBFZGLWHIACQ-CMPLNLGQSA-N 1 0 393.372 2.902 20 0 GFADRO C[C@H]1CCC[N@@H+](C(C)(C)CNS(=O)(=O)c2ccc(C(F)(F)F)cn2)C1 ZINC000480957464 564497345 /nfs/dbraw/zinc/49/73/45/564497345.db2.gz SPGLOIIBEGWDGR-LBPRGKRZSA-N 1 0 379.448 2.889 20 0 GFADRO O=S(=O)(c1ccc(C(F)(F)F)cn1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000481010543 564500421 /nfs/dbraw/zinc/50/04/21/564500421.db2.gz RKPDTOIPZHIKLW-CQSZACIVSA-N 1 0 377.432 2.739 20 0 GFADRO COc1ccc(S(=O)(=O)NC[C@H](C)N2CCc3sccc3C2)c(F)c1 ZINC000481026073 564500715 /nfs/dbraw/zinc/50/07/15/564500715.db2.gz RROUQAYKYCNONP-LBPRGKRZSA-N 1 0 384.498 2.621 20 0 GFADRO O=S(=O)(c1cc(Br)sc1Cl)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000570331722 564501019 /nfs/dbraw/zinc/50/10/19/564501019.db2.gz MLZIHYOVSJUPLA-DTORHVGOSA-N 1 0 399.763 2.784 20 0 GFADRO Cc1cc(F)c(Br)cc1S(=O)(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000481057902 564501686 /nfs/dbraw/zinc/50/16/86/564501686.db2.gz KHVVHVFQXQPCRO-WDEREUQCSA-N 1 0 379.295 2.658 20 0 GFADRO Cc1nc(C(C)C)sc1[C@@H](C)[NH2+]C[C@H]1CCCCN1S(=O)(=O)N(C)C ZINC000570361355 564502572 /nfs/dbraw/zinc/50/25/72/564502572.db2.gz VGELYFWRTMEROE-UKRRQHHQSA-N 1 0 388.603 2.886 20 0 GFADRO COCCNS(=O)(=O)c1cccc(C[NH2+]Cc2cc(C)cc(Cl)c2)c1 ZINC000516495536 564503483 /nfs/dbraw/zinc/50/34/83/564503483.db2.gz KLNZYEJEDSLOJR-UHFFFAOYSA-N 1 0 382.913 2.863 20 0 GFADRO O=C(COc1ccc(F)cc1Br)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000570396083 564503842 /nfs/dbraw/zinc/50/38/42/564503842.db2.gz WZMVPZFSKBJRKO-OLZOCXBDSA-N 1 0 385.277 2.815 20 0 GFADRO Cc1cc(I)cc(C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)c1C ZINC000481151791 564505033 /nfs/dbraw/zinc/50/50/33/564505033.db2.gz BAWIOHOMJVYDSX-CYBMUJFWSA-N 1 0 384.261 2.875 20 0 GFADRO O=C(NC[C@@H]1CCC[NH2+]1)Nc1ccc(CCn2cc(Br)cn2)cc1 ZINC000516551569 564505274 /nfs/dbraw/zinc/50/52/74/564505274.db2.gz ZRBRYPYNRALNES-INIZCTEOSA-N 1 0 392.301 2.762 20 0 GFADRO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@H]1CCn2ccnc2C1 ZINC000547654658 564506057 /nfs/dbraw/zinc/50/60/57/564506057.db2.gz WKBGGIXFKUACAB-DOMZBBRYSA-N 1 0 377.286 2.967 20 0 GFADRO C[C@@H]1C[C@H]([NH3+])CCN1S(=O)(=O)Cc1cc(Cl)ccc1Br ZINC000570461814 564507008 /nfs/dbraw/zinc/50/70/08/564507008.db2.gz VRWSLIZLDWTHTH-BXKDBHETSA-N 1 0 381.723 2.744 20 0 GFADRO C[N@@H+]1CC[C@H](C(=O)Nc2cc(Br)cc(C(=O)N3CCCC3)c2)C1 ZINC000547746491 564509619 /nfs/dbraw/zinc/50/96/19/564509619.db2.gz AKJIBABIIQFXEW-LBPRGKRZSA-N 1 0 380.286 2.575 20 0 GFADRO Cc1ccc(C(F)(F)F)cc1S(=O)(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000481344816 564509707 /nfs/dbraw/zinc/50/97/07/564509707.db2.gz UOXNZWFPLGJBLP-CQSZACIVSA-N 1 0 382.473 2.729 20 0 GFADRO C[C@H](C[C@H](C)[NH3+])NS(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCCCO1 ZINC000570513936 564510143 /nfs/dbraw/zinc/51/01/43/564510143.db2.gz GBIPKZIODWMTHS-GUTXKFCHSA-N 1 0 390.933 2.692 20 0 GFADRO CC[N@H+](CCNC(=O)NCCCS(=O)(=O)c1ccc(Cl)cc1)C(C)C ZINC000454455606 564510846 /nfs/dbraw/zinc/51/08/46/564510846.db2.gz AHGIYCUDKYSPEV-UHFFFAOYSA-N 1 0 389.949 2.533 20 0 GFADRO C[C@H](CNC(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1)Oc1ccc(Br)cc1 ZINC000570549962 564511675 /nfs/dbraw/zinc/51/16/75/564511675.db2.gz KOMNYFOHHUGGNS-XJKCOSOUSA-N 1 0 382.302 2.610 20 0 GFADRO CC[N@H+](CC(=O)N(CCC(=O)OC)Cc1cccc(Br)c1)C1CC1 ZINC000481395698 564511877 /nfs/dbraw/zinc/51/18/77/564511877.db2.gz BBDAQOMDJINPDJ-UHFFFAOYSA-N 1 0 397.313 2.825 20 0 GFADRO COC(=O)c1cn(CC[NH2+][C@H](C)[C@H](C)Oc2ccc(Cl)cc2Cl)nn1 ZINC000516794240 564512906 /nfs/dbraw/zinc/51/29/06/564512906.db2.gz YTZARKLEIVMGPU-MNOVXSKESA-N 1 0 387.267 2.817 20 0 GFADRO CSCC[C@H]([NH3+])C(=O)NCc1cc(Br)ccc1Br ZINC000516850828 564513226 /nfs/dbraw/zinc/51/32/26/564513226.db2.gz ONPFFMKLCZZLOI-NSHDSACASA-N 1 0 396.148 2.908 20 0 GFADRO COCC[N@@H+]1CC[C@@H](NC(=O)N2CC[C@@H](c3cccc(Br)c3)C2)C1 ZINC000454549894 564513425 /nfs/dbraw/zinc/51/34/25/564513425.db2.gz QURANKDFKYYAQO-NVXWUHKLSA-N 1 0 396.329 2.669 20 0 GFADRO COCC[N@@H+]1CC[C@H](NC(=O)N[C@@H](C)c2ccc(F)c(Br)c2)C1 ZINC000454533410 564513446 /nfs/dbraw/zinc/51/34/46/564513446.db2.gz CYHFULQSNRKCSN-AAEUAGOBSA-N 1 0 388.281 2.669 20 0 GFADRO COCC[N@@H+]1CC[C@@H](NC(=O)N2CC[C@H](c3cccc(Br)c3)C2)C1 ZINC000454549891 564513740 /nfs/dbraw/zinc/51/37/40/564513740.db2.gz QURANKDFKYYAQO-DOTOQJQBSA-N 1 0 396.329 2.669 20 0 GFADRO NC(=O)[C@H](NC1CC[NH+](C2CCC2)CC1)c1ccc(Br)cc1F ZINC000570667446 564516425 /nfs/dbraw/zinc/51/64/25/564516425.db2.gz RVYWMFVCBOXXMN-MRXNPFEDSA-N 1 0 384.293 2.721 20 0 GFADRO CN(C(=O)CCc1nc(-c2cc(Br)cs2)no1)C1(C[NH3+])CCC1 ZINC000570710291 564518282 /nfs/dbraw/zinc/51/82/82/564518282.db2.gz RXAXEBPCCLIIKJ-UHFFFAOYSA-N 1 0 399.314 2.833 20 0 GFADRO C[NH+](C)[C@]1(CNC(=O)NCCCc2nc3c(s2)CCCC3)CCSC1 ZINC000481692174 564519789 /nfs/dbraw/zinc/51/97/89/564519789.db2.gz PMIQINOTZCFVII-SFHVURJKSA-N 1 0 382.599 2.691 20 0 GFADRO C[C@H](NC(=O)NCC(C)(C)[NH+]1CCCCC1)c1ncc(Br)cn1 ZINC000517007342 564520410 /nfs/dbraw/zinc/52/04/10/564520410.db2.gz IGZAAJMWDOBVPR-LBPRGKRZSA-N 1 0 384.322 2.864 20 0 GFADRO C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1NC(=O)c1ccc(-n2cc(Br)cn2)cc1 ZINC000517025080 564521217 /nfs/dbraw/zinc/52/12/17/564521217.db2.gz QXDATVDJZQXFII-BFQNTYOBSA-N 1 0 377.286 2.751 20 0 GFADRO O=C(C1CCC([NH2+][C@H]2CCO[C@@H](C(F)(F)F)C2)CC1)N1CCSCC1 ZINC000517036320 564522693 /nfs/dbraw/zinc/52/26/93/564522693.db2.gz CIAIIYLWLJITDK-PFSRBDOWSA-N 1 0 380.476 2.820 20 0 GFADRO C[C@@]1(C(=O)NCc2ccc(I)c(Cl)c2)CCC[NH2+]C1 ZINC000517032046 564522856 /nfs/dbraw/zinc/52/28/56/564522856.db2.gz YOPSUCWVZOLVMV-CQSZACIVSA-N 1 0 392.668 2.951 20 0 GFADRO C[C@]1(C(=O)NCc2ccc(I)c(Cl)c2)CCC[NH2+]C1 ZINC000517032039 564522921 /nfs/dbraw/zinc/52/29/21/564522921.db2.gz YOPSUCWVZOLVMV-AWEZNQCLSA-N 1 0 392.668 2.951 20 0 GFADRO C[C@@H](NC(=O)Nc1ccn(CC[NH+](C)C)n1)c1ccc(F)c(Br)c1 ZINC000454866921 564524782 /nfs/dbraw/zinc/52/47/82/564524782.db2.gz UAEMTTYNRQDNPX-LLVKDONJSA-N 1 0 398.280 3.229 20 0 GFADRO O=C(Nc1cccc(Br)c1)C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000517118971 564525599 /nfs/dbraw/zinc/52/55/99/564525599.db2.gz ITTYGYSBJWJWES-UHFFFAOYSA-N 1 0 394.313 2.865 20 0 GFADRO COC(=O)c1cccc(S(=O)(=O)Nc2ccc(C[NH+](C)C)c(Cl)c2)c1 ZINC000481885306 564527298 /nfs/dbraw/zinc/52/72/98/564527298.db2.gz ZOFMVPOQPIEFPP-UHFFFAOYSA-N 1 0 382.869 2.989 20 0 GFADRO C[N@H+](CCn1cc(Br)cn1)[C@H]1CCCN(c2cccc(F)c2)C1=O ZINC000517199084 564527508 /nfs/dbraw/zinc/52/75/08/564527508.db2.gz HAURMKYUVBNMBP-INIZCTEOSA-N 1 0 395.276 2.912 20 0 GFADRO CC[NH+](CC)CCOCCNC(=O)NCc1ccc(F)cc1Br ZINC000547999791 564527577 /nfs/dbraw/zinc/52/75/77/564527577.db2.gz OHHVHRFBRBPLGY-UHFFFAOYSA-N 1 0 390.297 2.746 20 0 GFADRO CC[C@H](N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000481920325 564527891 /nfs/dbraw/zinc/52/78/91/564527891.db2.gz UWMHDOCAZUDFJU-BBWFWOEESA-N 1 0 385.961 2.916 20 0 GFADRO CC[C@H]([NH2+]CCN1CC=C(C)CC1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000482004005 564531679 /nfs/dbraw/zinc/53/16/79/564531679.db2.gz HVBXTZLIKZGWCL-KRWDZBQOSA-N 1 0 385.961 2.941 20 0 GFADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000571024646 564532333 /nfs/dbraw/zinc/53/23/33/564532333.db2.gz CGQZLQZAPRNWEB-YESZJQIVSA-N 1 0 396.329 2.715 20 0 GFADRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)Nc1ccc(Cl)c(S(C)(=O)=O)c1 ZINC000482049790 564532669 /nfs/dbraw/zinc/53/26/69/564532669.db2.gz NXONWZQRNQIIGU-SWLSCSKDSA-N 1 0 385.917 2.834 20 0 GFADRO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)Nc1cnc2c(Br)cccn12 ZINC000571041662 564533168 /nfs/dbraw/zinc/53/31/68/564533168.db2.gz HRGJJDVMIYQKSR-OAHLLOKOSA-N 1 0 395.301 2.829 20 0 GFADRO C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CC(=O)N(c3cc(Cl)cc(Cl)c3)C2)C1 ZINC000517457158 564534932 /nfs/dbraw/zinc/53/49/32/564534932.db2.gz YNXFCJPTTMWNLZ-QWHCGFSZSA-N 1 0 384.307 2.804 20 0 GFADRO CC(C)C[NH+]1CCC(NC(=O)c2ccc(I)cn2)CC1 ZINC000455103688 564536922 /nfs/dbraw/zinc/53/69/22/564536922.db2.gz LJBDAZJJZBELGX-UHFFFAOYSA-N 1 0 387.265 2.536 20 0 GFADRO Cc1cc(I)ccc1NC(=O)C[NH2+][C@@](C)(CO)C(C)C ZINC000571128074 564537040 /nfs/dbraw/zinc/53/70/40/564537040.db2.gz GRAFVXFKPACMIC-HNNXBMFYSA-N 1 0 390.265 2.535 20 0 GFADRO CC[NH+](CC)[C@@H](CNC(=O)Cn1cc(Br)cn1)c1ccsc1 ZINC000517585054 564537294 /nfs/dbraw/zinc/53/72/94/564537294.db2.gz OPRIWUUSGKEGQS-AWEZNQCLSA-N 1 0 385.331 2.906 20 0 GFADRO CCc1cnc(NC(=O)C(=O)NC[C@H](c2ccc(Cl)cc2)[NH+](C)C)s1 ZINC000571141017 564537895 /nfs/dbraw/zinc/53/78/95/564537895.db2.gz PMFOKZAZLWSWAD-CQSZACIVSA-N 1 0 380.901 2.717 20 0 GFADRO O=C(NCC[C@@H]1CC[NH2+]C1)Nc1ccnn1Cc1ccc(Br)cc1 ZINC000571265972 564543636 /nfs/dbraw/zinc/54/36/36/564543636.db2.gz BYUTYNAOHKLOQY-ZDUSSCGKSA-N 1 0 392.301 2.815 20 0 GFADRO [NH3+]CC[C@@H]1CCCCN1C(=O)[C@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000571277333 564544014 /nfs/dbraw/zinc/54/40/14/564544014.db2.gz RMVTYOHHZCWRHU-ZFWWWQNUSA-N 1 0 394.313 2.532 20 0 GFADRO O=C(NC[C@@H]1CCCC[N@H+]1CCO)Nc1cc(F)cc(F)c1Br ZINC000455245594 564544720 /nfs/dbraw/zinc/54/47/20/564544720.db2.gz DOCRRWNXJYOPMH-NSHDSACASA-N 1 0 392.244 2.696 20 0 GFADRO C[C@@H](NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1cc(Br)ccc1F ZINC000482549090 564545314 /nfs/dbraw/zinc/54/53/14/564545314.db2.gz CQXOFMBEFSOWDT-CHWSQXEVSA-N 1 0 386.309 2.826 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)N1CCC(O)(C(F)F)CC1)c1ccc(Cl)cc1 ZINC000548326395 564548477 /nfs/dbraw/zinc/54/84/77/564548477.db2.gz IQGHFZGBZPAHOH-CQSZACIVSA-N 1 0 375.847 2.744 20 0 GFADRO C[NH+](C)CCCCC(=O)Nc1cc(C(F)(F)F)ccc1NS(C)(=O)=O ZINC000518265111 564549673 /nfs/dbraw/zinc/54/96/73/564549673.db2.gz QHJWXNMICAWXQH-UHFFFAOYSA-N 1 0 381.420 2.747 20 0 GFADRO CS[C@@H]1CN(Cc2ccc(Cl)cc2-n2cncn2)C[C@@H]1[NH+]1CCCC1 ZINC000482822139 564550622 /nfs/dbraw/zinc/55/06/22/564550622.db2.gz DTLRPKVIWDJKJK-ZWKOTPCHSA-N 1 0 377.945 2.932 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+][C@H](c2cccnc2)C2CC2)cc1Br ZINC000518337591 564550663 /nfs/dbraw/zinc/55/06/63/564550663.db2.gz WVYHOBAHPUUVCT-INIZCTEOSA-N 1 0 396.310 2.732 20 0 GFADRO CCN(CC)c1nc2sc(C(=O)N3CC[C@@H](OC)C[C@H]3C[NH3+])cc2s1 ZINC000571449533 564552123 /nfs/dbraw/zinc/55/21/23/564552123.db2.gz UVDRYXNNWQJMHZ-NWDGAFQWSA-N 1 0 382.555 2.782 20 0 GFADRO O=C(N1CCO[C@@H](c2ccc(Br)cc2)C1)C12CCC[NH+]1CCC2 ZINC000548414124 564552212 /nfs/dbraw/zinc/55/22/12/564552212.db2.gz KZNVOZVOYZVPRA-MRXNPFEDSA-N 1 0 379.298 2.977 20 0 GFADRO [NH3+]CCC1CCN(S(=O)(=O)c2cc(Cl)ccc2Br)CC1 ZINC000518386748 564552304 /nfs/dbraw/zinc/55/23/04/564552304.db2.gz OIBJILATCSRBDJ-UHFFFAOYSA-N 1 0 381.723 2.852 20 0 GFADRO CN(C(=O)C[C@@H]1Sc2ccc(Cl)cc2NC1=O)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000518428087 564553076 /nfs/dbraw/zinc/55/30/76/564553076.db2.gz MVSOOCUTZJYNLX-BBRMVZONSA-N 1 0 379.913 2.838 20 0 GFADRO CCn1c(CNC(=O)NC[C@H](C)[NH+](C)C)nc2cc(Br)ccc21 ZINC000455424082 564553775 /nfs/dbraw/zinc/55/37/75/564553775.db2.gz CCXVXMMQEBPXKH-NSHDSACASA-N 1 0 382.306 2.568 20 0 GFADRO C[C@H]1CCN(CC[NH2+][C@H]2CCS(=O)(=O)c3ccc(Br)cc32)C1 ZINC000548483236 564553980 /nfs/dbraw/zinc/55/39/80/564553980.db2.gz IJFBWPSZUBHNKN-WFASDCNBSA-N 1 0 387.343 2.599 20 0 GFADRO COc1cc(F)c(C[NH2+]CCn2cc(Br)ccc2=O)cc1OC ZINC000518545050 564556341 /nfs/dbraw/zinc/55/63/41/564556341.db2.gz UQWFRNOVMSZNLD-UHFFFAOYSA-N 1 0 385.233 2.557 20 0 GFADRO O=S(=O)(NC[C@@H]1[NH2+]CCc2ccccc21)C1CCC(C(F)(F)F)CC1 ZINC000571560597 564557074 /nfs/dbraw/zinc/55/70/74/564557074.db2.gz GORHCKQCYAJRIQ-XUJLQICISA-N 1 0 376.444 2.914 20 0 GFADRO C[C@@H](NC(=O)N1CCC(C[NH+]2CCCC2)CC1)c1ncc(Br)cn1 ZINC000571618597 564559201 /nfs/dbraw/zinc/55/92/01/564559201.db2.gz AJSLHFJQKYQNKZ-CYBMUJFWSA-N 1 0 396.333 2.818 20 0 GFADRO COc1cc2c(c(C[NH2+]CCn3cc(Br)ccc3=O)c1)O[C@H](C)C2 ZINC000518688270 564559450 /nfs/dbraw/zinc/55/94/50/564559450.db2.gz XLESDNOSTMWTPA-GFCCVEGCSA-N 1 0 393.281 2.733 20 0 GFADRO O=C(C[N@H+](CC1CC1)C1CCC1)NCC(=O)Nc1ccccc1Br ZINC000483313969 564563610 /nfs/dbraw/zinc/56/36/10/564563610.db2.gz YGACDYJGPVSNKF-UHFFFAOYSA-N 1 0 394.313 2.768 20 0 GFADRO C[C@@H](NC(=O)N(CC[NH+](C)C)C1CCCC1)c1ncc(Br)cn1 ZINC000571759821 564565482 /nfs/dbraw/zinc/56/54/82/564565482.db2.gz GMPOHNJGQCSNIG-GFCCVEGCSA-N 1 0 384.322 2.816 20 0 GFADRO COc1cc(C)c(Br)cc1C(=O)NCCCC[N@@H+]1CCC[C@H]1CO ZINC000571813968 564568198 /nfs/dbraw/zinc/56/81/98/564568198.db2.gz XGUFMTQHGKVCGG-AWEZNQCLSA-N 1 0 399.329 2.733 20 0 GFADRO COCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](CCOc2cccc(Br)c2)C1 ZINC000519051721 564568669 /nfs/dbraw/zinc/56/86/69/564568669.db2.gz RGBCALALFUUUHL-HUUCEWRRSA-N 1 0 399.329 2.691 20 0 GFADRO CC[NH+]1CCC(NC(=O)C(=O)Nc2cc3sc(C)nc3cc2Cl)CC1 ZINC000483494474 564568956 /nfs/dbraw/zinc/56/89/56/564568956.db2.gz ADAMAGGLBWJSHS-UHFFFAOYSA-N 1 0 380.901 2.797 20 0 GFADRO Cc1ncc(Br)cc1NC(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000455801029 564571650 /nfs/dbraw/zinc/57/16/50/564571650.db2.gz MKSJWQZSCVCQIZ-LBPRGKRZSA-N 1 0 385.306 2.775 20 0 GFADRO O=C(N[C@@H]1C[NH2+]CCC1(F)F)c1cc2c(cc(Br)cc2F)[nH]1 ZINC000571936346 564573575 /nfs/dbraw/zinc/57/35/75/564573575.db2.gz XZTGPEVDXQHXIQ-GFCCVEGCSA-N 1 0 376.176 2.797 20 0 GFADRO CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cc3sc(C)nc3cc2Cl)C1 ZINC000483748030 564573635 /nfs/dbraw/zinc/57/36/35/564573635.db2.gz QEZNKSMHTORNEY-LLVKDONJSA-N 1 0 380.901 2.797 20 0 GFADRO CC[NH+](CC)CCS(=O)(=O)N1CCN(CC(F)(F)F)c2ccccc21 ZINC000571964739 564574401 /nfs/dbraw/zinc/57/44/01/564574401.db2.gz QLHNBTPRGGTXSL-UHFFFAOYSA-N 1 0 379.448 2.547 20 0 GFADRO CCC[N@H+](C)CC(=O)NCC1(c2ccc(Br)cc2)CCOCC1 ZINC000519332724 564574822 /nfs/dbraw/zinc/57/48/22/564574822.db2.gz AOCXUJUNHCCFSB-UHFFFAOYSA-N 1 0 383.330 2.955 20 0 GFADRO CCCC[N@H+](C)CCNC(=O)C(=O)Nc1cccc(Cl)c1Br ZINC000483895777 564577349 /nfs/dbraw/zinc/57/73/49/564577349.db2.gz NBXUTURYRICYOM-UHFFFAOYSA-N 1 0 390.709 2.889 20 0 GFADRO C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)c1ccn(-c2cccc(Br)c2)n1 ZINC000572030239 564577894 /nfs/dbraw/zinc/57/78/94/564577894.db2.gz JKFTZEJYFVXKIY-XHBSWPGZSA-N 1 0 377.286 2.751 20 0 GFADRO Cc1nc2cc(Cl)c(NC(=O)C(=O)NCC3CC[NH+](C)CC3)cc2s1 ZINC000483930348 564577937 /nfs/dbraw/zinc/57/79/37/564577937.db2.gz HTUKTFQQJVSVNS-UHFFFAOYSA-N 1 0 380.901 2.655 20 0 GFADRO OC[C@@H](C[NH2+]C[C@@H](O)COc1ccccc1Cl)Cc1ccncc1Cl ZINC000572039231 564578707 /nfs/dbraw/zinc/57/87/07/564578707.db2.gz OIHAVTWLZMOUAI-UKRRQHHQSA-N 1 0 385.291 2.569 20 0 GFADRO Cc1c(Cl)cc(NC(=O)C(=O)NC[C@@]2([NH+](C)C)CCSC2)cc1Cl ZINC000483963882 564578924 /nfs/dbraw/zinc/57/89/24/564578924.db2.gz UBWMKYZBOPMMGK-INIZCTEOSA-N 1 0 390.336 2.794 20 0 GFADRO C[NH+]1CCN(c2ccc(NC(=O)c3ccc(Br)s3)nc2)CC1 ZINC000483974268 564579071 /nfs/dbraw/zinc/57/90/71/564579071.db2.gz FHVOJMQKTIIFOZ-UHFFFAOYSA-N 1 0 381.299 2.910 20 0 GFADRO C[C@@H](C[S@](C)=O)NC(=O)Nc1cc(Cl)ccc1OC1CC[NH+](C)CC1 ZINC000455941597 564581219 /nfs/dbraw/zinc/58/12/19/564581219.db2.gz JLYGGXNQLOJMJA-VDBVYFBLSA-N 1 0 387.933 2.702 20 0 GFADRO CS(=O)(=O)C1(C[NH2+]CCC(=O)Nc2cccc(C(F)(F)F)c2)CCC1 ZINC000519594726 564582694 /nfs/dbraw/zinc/58/26/94/564582694.db2.gz KQMVNMZYSBNGON-UHFFFAOYSA-N 1 0 378.416 2.591 20 0 GFADRO C[C@@H](C[NH2+][C@@H](C)c1ccccc1I)CN1CCOCC1 ZINC000484147457 564582695 /nfs/dbraw/zinc/58/26/95/564582695.db2.gz SFGDABASKPZZIY-KBPBESRZSA-N 1 0 388.293 2.910 20 0 GFADRO C[NH+]1CCC(O)(CNC(=O)Nc2cc(Cl)cc(Br)c2)CC1 ZINC000455975741 564582989 /nfs/dbraw/zinc/58/29/89/564582989.db2.gz VLEMEMYIWSROON-UHFFFAOYSA-N 1 0 376.682 2.681 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)c2nn(-c3ccc(F)cc3)cc2Br)C1 ZINC000484197675 564583417 /nfs/dbraw/zinc/58/34/17/564583417.db2.gz DLPDMTAPCVGGGU-GHMZBOCLSA-N 1 0 381.249 2.583 20 0 GFADRO CCc1nc(C(=O)N2CC[C@H]([C@H](C)[NH3+])C2)nn1-c1c(Cl)cccc1Cl ZINC000484201335 564583703 /nfs/dbraw/zinc/58/37/03/564583703.db2.gz MKGZGHMQAACXBT-QWRGUYRKSA-N 1 0 382.295 2.946 20 0 GFADRO CC[N@@H+]1CCCN(C(=O)C(=O)Nc2cccc(Cl)c2Br)CC1 ZINC000484247160 564584001 /nfs/dbraw/zinc/58/40/01/564584001.db2.gz TXMARNGQFQAOKU-UHFFFAOYSA-N 1 0 388.693 2.595 20 0 GFADRO C[C@H]1CN(C(=O)c2ccc(I)cn2)CC[N@@H+](C2CCC2)C1 ZINC000456042884 564585478 /nfs/dbraw/zinc/58/54/78/564585478.db2.gz BWAIMUHYDFGOQU-GFCCVEGCSA-N 1 0 399.276 2.633 20 0 GFADRO [NH3+]CC12CCC(CC1)CN2S(=O)(=O)c1cc(Cl)ccc1Br ZINC000519715158 564587632 /nfs/dbraw/zinc/58/76/32/564587632.db2.gz VBTHXPLHFVBDPC-UHFFFAOYSA-N 1 0 393.734 2.995 20 0 GFADRO COc1ccc(Br)c([C@H](CO)N(C)C(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)c1 ZINC000456102685 564588700 /nfs/dbraw/zinc/58/87/00/564588700.db2.gz GIAARIQFKRGZRS-AHIWAGSCSA-N 1 0 399.329 2.822 20 0 GFADRO O=C(c1cc(=O)[nH]c2c(Br)cccc12)N1CCC2(CC[NH2+]2)CC1 ZINC000572362471 564591638 /nfs/dbraw/zinc/59/16/38/564591638.db2.gz MLYWOXRFRUTYCW-UHFFFAOYSA-N 1 0 376.254 2.671 20 0 GFADRO C[C@H](NC(=O)c1ccc(Br)cc1)C(=O)NC(C)(C)CCC[NH+](C)C ZINC000456196762 564593167 /nfs/dbraw/zinc/59/31/67/564593167.db2.gz IAIAUDRXCBEISO-ZDUSSCGKSA-N 1 0 398.345 2.804 20 0 GFADRO CC[N@@H+]1CC[C@H]2OCCN(S(=O)(=O)Cc3cc(Cl)cc(Cl)c3)[C@H]2C1 ZINC000549487136 564595876 /nfs/dbraw/zinc/59/58/76/564595876.db2.gz ANTBALVQMGZWCV-JKSUJKDBSA-N 1 0 393.336 2.618 20 0 GFADRO CC[NH+](CC)C[C@@H](C)NC(=O)Cc1csc(NC(=O)c2cccs2)n1 ZINC000519994884 564596078 /nfs/dbraw/zinc/59/60/78/564596078.db2.gz BYVGOYATGXZPGZ-GFCCVEGCSA-N 1 0 380.539 2.846 20 0 GFADRO CC(=O)N1CCN(CC[NH2+][C@@H]2CCCCc3cc(Br)ccc32)CC1 ZINC000549530124 564596911 /nfs/dbraw/zinc/59/69/11/564596911.db2.gz YAAPNRGZPZODED-LJQANCHMSA-N 1 0 394.357 2.970 20 0 GFADRO COc1sc(C[NH2+]C[C@@](C)(O)C(=O)OC(C)(C)C)cc1Br ZINC000484749166 564596949 /nfs/dbraw/zinc/59/69/49/564596949.db2.gz HBEGMDWZJVBJOY-CQSZACIVSA-N 1 0 380.304 2.702 20 0 GFADRO C[C@@H](NC(=O)[C@@H](C)[NH2+]C1CC1)c1nc(-c2ccc(Br)cc2)no1 ZINC000520226188 564600136 /nfs/dbraw/zinc/60/01/36/564600136.db2.gz ATFHTYLSJNJHKE-NXEZZACHSA-N 1 0 379.258 2.817 20 0 GFADRO Cc1cc(NC(=O)C[N@@H+]2C[C@H](O)C[C@H]2[C@@H]2CCCOC2)ccc1Br ZINC000520508082 564606726 /nfs/dbraw/zinc/60/67/26/564606726.db2.gz JRLYJZNQIVGJFV-UNEWFSDZSA-N 1 0 397.313 2.558 20 0 GFADRO O=S(=O)(c1cc(F)ccc1Br)N1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000520552041 564607711 /nfs/dbraw/zinc/60/77/11/564607711.db2.gz PLXORCIHKOBOKP-ZIAGYGMSSA-N 1 0 391.306 2.883 20 0 GFADRO C[NH+](C)CC(C)(C)CNS(=O)(=O)c1cc(Cl)ccc1Br ZINC000485433539 564615278 /nfs/dbraw/zinc/61/52/78/564615278.db2.gz QEBGNSGXBMHPQS-UHFFFAOYSA-N 1 0 383.739 2.969 20 0 GFADRO CCC[N@H+](CC)C[C@H](C)NS(=O)(=O)c1ccc(Br)c(OC)c1 ZINC000572948579 564616416 /nfs/dbraw/zinc/61/64/16/564616416.db2.gz IUEWWXIDPZRDTB-LBPRGKRZSA-N 1 0 393.347 2.856 20 0 GFADRO CC[C@H](C)[NH+]1CCN(C(=O)[C@H]2CC(=O)Nc3ccc(Br)cc32)CC1 ZINC000456529981 564616660 /nfs/dbraw/zinc/61/66/60/564616660.db2.gz MIPMMNVVDUDHLQ-WFASDCNBSA-N 1 0 394.313 2.818 20 0 GFADRO C[C@@]1(c2ccc(C[NH2+]Cc3ccc(Br)cc3)cc2)NC(=O)NC1=O ZINC000520963401 564616795 /nfs/dbraw/zinc/61/67/95/564616795.db2.gz HRYJSLIEAMLRHO-SFHVURJKSA-N 1 0 388.265 2.794 20 0 GFADRO O[C@H](C[NH2+]C[C@@H](O)CCc1ccccc1)COc1ccccc1Br ZINC000521044208 564617932 /nfs/dbraw/zinc/61/79/32/564617932.db2.gz UAQFGLOGGBOHKI-DLBZAZTESA-N 1 0 394.309 2.772 20 0 GFADRO O=C(CC[NH2+][C@@H](CO)Cc1ccccc1)Nc1cccc(Br)c1 ZINC000521044176 564618198 /nfs/dbraw/zinc/61/81/98/564618198.db2.gz SLCCBQCALJJTHD-QGZVFWFLSA-N 1 0 377.282 2.971 20 0 GFADRO C[N@H+](CCNS(=O)(=O)c1ccc(Br)cc1)C1CCCCC1 ZINC000521046148 564618368 /nfs/dbraw/zinc/61/83/68/564618368.db2.gz NSVCCULQOFUKLI-UHFFFAOYSA-N 1 0 375.332 2.992 20 0 GFADRO C[N@@H+]1CCC[C@@]2(CCN([C@H]3CCN(c4cccc(Br)c4)C3=O)C2)C1 ZINC000550238108 564618414 /nfs/dbraw/zinc/61/84/14/564618414.db2.gz RSCJHNMLJKYJGI-PKOBYXMFSA-N 1 0 392.341 2.972 20 0 GFADRO COCCCN(C(=O)c1[nH]nc(C2CC2)c1Br)C1CC[NH+](C)CC1 ZINC000521130974 564619641 /nfs/dbraw/zinc/61/96/41/564619641.db2.gz ZTBXPWNGBKMNOB-UHFFFAOYSA-N 1 0 399.333 2.623 20 0 GFADRO CCO[C@@H]1C[C@H]([NH2+]Cc2cn3ccc(Br)cc3n2)[C@H]1n1cccn1 ZINC000550324699 564620583 /nfs/dbraw/zinc/62/05/83/564620583.db2.gz IVIXIHCKANQOPQ-ZMSDIMECSA-N 1 0 390.285 2.802 20 0 GFADRO C[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CC(=O)N(c3cc(Cl)cc(Cl)c3)C2)C1 ZINC000521247005 564622786 /nfs/dbraw/zinc/62/27/86/564622786.db2.gz XANAKIQKMNWTAP-WFASDCNBSA-N 1 0 384.307 2.899 20 0 GFADRO COCCO[C@@H]1COCC[C@@H]1[NH2+][C@H](C)Cc1ccc(Br)c(F)c1 ZINC000485690760 564622994 /nfs/dbraw/zinc/62/29/94/564622994.db2.gz BNLZSVADJOODRN-OAUYIBNBSA-N 1 0 390.293 2.929 20 0 GFADRO COCCN1CC[C@@H]([NH2+]Cc2cc(Br)ccc2OC(F)F)C1 ZINC000521337925 564624541 /nfs/dbraw/zinc/62/45/41/564624541.db2.gz QCTBZOIMRXDMLC-CYBMUJFWSA-N 1 0 379.245 2.861 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@H]1CC(=O)Nc2ccc(Br)cc21 ZINC000485752178 564625193 /nfs/dbraw/zinc/62/51/93/564625193.db2.gz SEZXQXAARFNJOK-NFAWXSAZSA-N 1 0 392.297 2.618 20 0 GFADRO Cc1cc(Br)cc(C)c1CNC(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000485777398 564625433 /nfs/dbraw/zinc/62/54/33/564625433.db2.gz RLKYVELIQHTALV-GFCCVEGCSA-N 1 0 377.286 2.796 20 0 GFADRO CS[C@H]1CN(Cc2nc3ccc(Br)cc3n2C)C[C@H]1[NH+](C)C ZINC000485835807 564626995 /nfs/dbraw/zinc/62/69/95/564626995.db2.gz ZVWWQPAIKDWEGI-CABCVRRESA-N 1 0 383.359 2.813 20 0 GFADRO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NC[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000485859069 564628402 /nfs/dbraw/zinc/62/84/02/564628402.db2.gz LWJDHWDLYDGNAV-CPUCHLNUSA-N 1 0 380.330 2.589 20 0 GFADRO O[C@H](COc1c(Cl)cccc1Cl)CN1CCO[C@@H](COCC2CC2)C1 ZINC000485878817 564629584 /nfs/dbraw/zinc/62/95/84/564629584.db2.gz COZYQPOGGAHJFI-LSDHHAIUSA-N 1 0 390.307 2.861 20 0 GFADRO CC(C)(CNC(=O)C(=O)NCc1c(Cl)cccc1Cl)C[NH+]1CCCC1 ZINC000550723726 564629831 /nfs/dbraw/zinc/62/98/31/564629831.db2.gz SGJPRINNYVOKDK-UHFFFAOYSA-N 1 0 386.323 2.848 20 0 GFADRO O=C(NCc1noc(-c2cccc(Br)c2)n1)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000573245907 564630604 /nfs/dbraw/zinc/63/06/04/564630604.db2.gz BYZGLMWAKMUCNO-SJKOYZFVSA-N 1 0 391.269 2.505 20 0 GFADRO C[C@@H]([NH2+]CCc1cnc(SC2CCCC2)nc1)C1CCS(=O)(=O)CC1 ZINC000550919197 564634191 /nfs/dbraw/zinc/63/41/91/564634191.db2.gz GOWIGUQGPKMCGC-CQSZACIVSA-N 1 0 383.583 2.857 20 0 GFADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@H](C)[C@H](O)Cc1ccccc1 ZINC000550940695 564634596 /nfs/dbraw/zinc/63/45/96/564634596.db2.gz VUANDEIUIAYWTE-CKEIUWERSA-N 1 0 379.298 2.581 20 0 GFADRO C[C@@H]([NH2+]Cc1ccc(S(C)(=O)=O)s1)c1cccc(N2CCOCC2)c1 ZINC000573382767 564635578 /nfs/dbraw/zinc/63/55/78/564635578.db2.gz VJPARRBSISSPJC-CQSZACIVSA-N 1 0 380.535 2.839 20 0 GFADRO C[C@H]([NH2+]C(C)(C)CNC(=O)Cn1cc(Br)cn1)c1ccccc1 ZINC000521851269 564637581 /nfs/dbraw/zinc/63/75/81/564637581.db2.gz QLFLSSSMSWYKMF-ZDUSSCGKSA-N 1 0 379.302 2.891 20 0 GFADRO COc1ccc(Cl)cc1S(=O)(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000486088260 564638548 /nfs/dbraw/zinc/63/85/48/564638548.db2.gz ONRDOXWCOLGYTO-CJNGLKHVSA-N 1 0 384.929 2.986 20 0 GFADRO C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCC1(c2ccc(Br)cc2)CCOCC1 ZINC000486088373 564638594 /nfs/dbraw/zinc/63/85/94/564638594.db2.gz RKZDQUJOFNUKEC-WMLDXEAASA-N 1 0 395.341 2.811 20 0 GFADRO Cc1cc(Cl)ccc1S(=O)(=O)NCC[NH2+][C@H]1COc2ccccc2C1 ZINC000551198996 564641254 /nfs/dbraw/zinc/64/12/54/564641254.db2.gz TYYOZTPZLLFZFU-MRXNPFEDSA-N 1 0 380.897 2.520 20 0 GFADRO Cc1sc2ncnc(SCC(=O)N(C)[C@@H]3C[NH+]4CCC3CC4)c2c1C ZINC000522042121 564642433 /nfs/dbraw/zinc/64/24/33/564642433.db2.gz KWELDMJQHFZGAG-CQSZACIVSA-N 1 0 376.551 2.953 20 0 GFADRO CC[C@H](C(=O)Nc1cc(N2CCOCC2)c(Br)cn1)[NH+](CC)CC ZINC000456981675 564642519 /nfs/dbraw/zinc/64/25/19/564642519.db2.gz OCYDIVQMADMYEG-CQSZACIVSA-N 1 0 399.333 2.740 20 0 GFADRO CCOC(=O)C[C@H](NC(=O)[C@H]1C[N@H+](C)C[C@@H]1C)c1ccc(Br)cc1 ZINC000486207570 564643635 /nfs/dbraw/zinc/64/36/35/564643635.db2.gz UVPIUBIBCTYVKW-RCBQFDQVSA-N 1 0 397.313 2.757 20 0 GFADRO CC(=O)N[C@H](CC(=O)NC[C@H]1CCC[C@H]([NH3+])C1)c1ccc(Br)cc1 ZINC000573565311 564644619 /nfs/dbraw/zinc/64/46/19/564644619.db2.gz CILNIQLBGLTTEV-RRQGHBQHSA-N 1 0 396.329 2.650 20 0 GFADRO CC(C)(C[NH+]1CCCC1)NC(=O)CCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000457053641 564644910 /nfs/dbraw/zinc/64/49/10/564644910.db2.gz BFTUKAINDKXORZ-UHFFFAOYSA-N 1 0 386.945 2.885 20 0 GFADRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C2(c3cccc(Br)c3)CC(=O)C2)C1 ZINC000457082821 564646184 /nfs/dbraw/zinc/64/61/84/564646184.db2.gz FDSBGQCYARZKSB-INIZCTEOSA-N 1 0 393.325 2.991 20 0 GFADRO O=C(NCCOc1cccc(Br)c1)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000573621330 564647185 /nfs/dbraw/zinc/64/71/85/564647185.db2.gz OUHDJOLDLRHIGS-VNHYZAJKSA-N 1 0 382.302 2.515 20 0 GFADRO CC(C)[NH+]1CCC(N(C)C(=O)c2ccc(Cl)c(NS(C)(=O)=O)c2)CC1 ZINC000522253594 564648018 /nfs/dbraw/zinc/64/80/18/564648018.db2.gz PQWYDENWWPMYGX-UHFFFAOYSA-N 1 0 387.933 2.656 20 0 GFADRO CC[NH+]1CCC(CNC(=O)C(=O)Nc2ccc(Br)c(C)c2)CC1 ZINC000573645822 564648206 /nfs/dbraw/zinc/64/82/06/564648206.db2.gz WVZHEXPWKFEUAZ-UHFFFAOYSA-N 1 0 382.302 2.544 20 0 GFADRO C[N@H+](CCCCNC(=O)c1cc(I)ccc1O)C1CC1 ZINC000457167410 564650236 /nfs/dbraw/zinc/65/02/36/564650236.db2.gz MAALURCUEZTHEM-UHFFFAOYSA-N 1 0 388.249 2.601 20 0 GFADRO CC[N@H+](CCNC(=O)c1cnc(Sc2nccn2C)c(Cl)c1)C1CC1 ZINC000522426688 564650807 /nfs/dbraw/zinc/65/08/07/564650807.db2.gz QAGAQTFCXXAART-UHFFFAOYSA-N 1 0 379.917 2.834 20 0 GFADRO CC[N@@H+]1C[C@H](C)N(C(=O)[C@@H]2CC(=O)Nc3ccc(Br)cc32)C[C@H]1C ZINC000486451715 564652350 /nfs/dbraw/zinc/65/23/50/564652350.db2.gz ORSAYKMIKWWXQE-TYNCELHUSA-N 1 0 394.313 2.816 20 0 GFADRO COc1ccc([C@@H](C[NH+](C)C)NC(=O)c2cncc(Br)c2)cc1 ZINC000551534689 564653158 /nfs/dbraw/zinc/65/31/58/564653158.db2.gz RKFCCFDVZIMWQK-MRXNPFEDSA-N 1 0 378.270 2.885 20 0 GFADRO COc1cc(Br)ccc1CNC(=O)N1CC[N@H+](C)[C@@H](C(C)C)C1 ZINC000486488043 564654287 /nfs/dbraw/zinc/65/42/87/564654287.db2.gz NCXOXAVDIPCJDV-OAHLLOKOSA-N 1 0 384.318 2.939 20 0 GFADRO COc1ccc(CN2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)c(Br)c1O ZINC000573816215 564654923 /nfs/dbraw/zinc/65/49/23/564654923.db2.gz YWCWBYCUTYYMKA-GDBMZVCRSA-N 1 0 399.329 2.882 20 0 GFADRO O=C(CC[NH2+][C@H](CO)Cc1ccccc1)Nc1ccc(Br)cc1 ZINC000573802647 564655525 /nfs/dbraw/zinc/65/55/25/564655525.db2.gz RNQNNYREIUZCID-KRWDZBQOSA-N 1 0 377.282 2.971 20 0 GFADRO C[C@H]1CC[N@H+](CCNC(=O)c2ccn(-c3ccc(Br)cc3)n2)C1 ZINC000551623269 564657850 /nfs/dbraw/zinc/65/78/50/564657850.db2.gz ZKWKHENVIZOWRP-ZDUSSCGKSA-N 1 0 377.286 2.706 20 0 GFADRO C[C@H]1C[C@H](NC(=O)N2CCN(c3cccc(Br)c3)CC2)CC[N@@H+]1C ZINC000573941226 564660456 /nfs/dbraw/zinc/66/04/56/564660456.db2.gz XGFUOZQPYFACRK-GOEBONIOSA-N 1 0 395.345 2.763 20 0 GFADRO CC[N@H+](CC(=O)N[C@H](C)c1ccc(Br)cc1OCCCO)C1CC1 ZINC000573946805 564661026 /nfs/dbraw/zinc/66/10/26/564661026.db2.gz WRCCYMHCSCPZRO-CYBMUJFWSA-N 1 0 399.329 2.872 20 0 GFADRO COc1ccc(Br)cc1C(=O)N1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000573953357 564661647 /nfs/dbraw/zinc/66/16/47/564661647.db2.gz ZMWILCKKEQSFMJ-RHSMWYFYSA-N 1 0 397.313 2.816 20 0 GFADRO COC(=O)c1ccc(C[NH2+]CC2(C(=O)N(C)C)CCCC2)c(Br)c1 ZINC000551787339 564663261 /nfs/dbraw/zinc/66/32/61/564663261.db2.gz OYCQZXQYGLBFBE-UHFFFAOYSA-N 1 0 397.313 2.974 20 0 GFADRO CCN1CC[C@H]([NH2+]Cc2cc(C(F)(F)F)cc(S(C)(=O)=O)c2)[C@H](C)C1 ZINC000551781205 564663320 /nfs/dbraw/zinc/66/33/20/564663320.db2.gz QMLZOFVHQCYSMX-WBMJQRKESA-N 1 0 378.460 2.929 20 0 GFADRO COc1ncc([C@H](C)[NH2+]CCOc2ccc(S(C)(=O)=O)cc2)cc1Cl ZINC000551790219 564663429 /nfs/dbraw/zinc/66/34/29/564663429.db2.gz YDBVUXOKBUUVQG-LBPRGKRZSA-N 1 0 384.885 2.877 20 0 GFADRO COCC[N@@H+]1CC[C@H](NC(=O)N2CCSC[C@H]2c2ccc(Cl)cc2)C1 ZINC000523428709 564666554 /nfs/dbraw/zinc/66/65/54/564666554.db2.gz YUNYBJNWBRDOBQ-IRXDYDNUSA-N 1 0 383.945 2.860 20 0 GFADRO C[NH+](C)C[C@@H](O)COc1ccc(NC(=O)c2cc(Br)co2)cc1 ZINC000457619593 564667287 /nfs/dbraw/zinc/66/72/87/564667287.db2.gz BANQPBGCYZHRNP-CYBMUJFWSA-N 1 0 383.242 2.596 20 0 GFADRO O=C(Nc1ccc(SCC[NH+]2CCCCC2)cc1)[C@H]1CCCS1(=O)=O ZINC000574098441 564668316 /nfs/dbraw/zinc/66/83/16/564668316.db2.gz OYKMXSFXTKVETK-QGZVFWFLSA-N 1 0 382.551 2.780 20 0 GFADRO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCN(CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000486905014 564669562 /nfs/dbraw/zinc/66/95/62/564669562.db2.gz BGOVRLMIUIVXMT-ZBFHGGJFSA-N 1 0 384.351 2.878 20 0 GFADRO O=C(NCc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1cc(Br)co1 ZINC000457696431 564670236 /nfs/dbraw/zinc/67/02/36/564670236.db2.gz LAMJZOIWDPDSFF-MRXNPFEDSA-N 1 0 393.281 2.929 20 0 GFADRO Cc1cc(Br)c(S(=O)(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)s1 ZINC000487070500 564674332 /nfs/dbraw/zinc/67/43/32/564674332.db2.gz LXDHMQZIGVXUSE-WDEREUQCSA-N 1 0 381.361 2.970 20 0 GFADRO C[C@H](CNS(=O)(=O)c1cc2c(cc1Cl)OCCO2)[NH+]1CCC(C)CC1 ZINC000524016006 564675242 /nfs/dbraw/zinc/67/52/42/564675242.db2.gz AREVLPAHSXURSM-CYBMUJFWSA-N 1 0 388.917 2.510 20 0 GFADRO O=C(NC[C@@H]1C[NH2+]CCO1)Nc1ccc(C(F)(F)F)c(Br)c1 ZINC000574502112 564676369 /nfs/dbraw/zinc/67/63/69/564676369.db2.gz MNGGYZQWDWBZLR-VIFPVBQESA-N 1 0 382.180 2.578 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@H](NS(=O)(=O)c2cc(Br)c(F)cc2F)C1 ZINC000487116896 564676726 /nfs/dbraw/zinc/67/67/26/564676726.db2.gz OMGORROAYPLARF-VHSXEESVSA-N 1 0 397.285 2.878 20 0 GFADRO CN(Cc1c(F)cccc1Cl)S(=O)(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000487142573 564677106 /nfs/dbraw/zinc/67/71/06/564677106.db2.gz YORORFJVBNUYNR-OLZOCXBDSA-N 1 0 377.913 2.618 20 0 GFADRO O=S(=O)(CC[NH2+]Cc1ccc2c(c1)OCO2)c1cccc(Br)c1 ZINC000574505259 564677743 /nfs/dbraw/zinc/67/77/43/564677743.db2.gz IVLPPBKTLUEKRV-UHFFFAOYSA-N 1 0 398.278 2.741 20 0 GFADRO Cc1cc(Cl)ccc1S(=O)(=O)NCC[NH2+][C@H](C)c1cccc(CO)c1 ZINC000552099713 564677800 /nfs/dbraw/zinc/67/78/00/564677800.db2.gz RANASCPVYBFXOF-CQSZACIVSA-N 1 0 382.913 2.770 20 0 GFADRO CC[C@H]1CN(CC[NH2+]CC2=Cc3cc(Br)ccc3OC2)CCO1 ZINC000487174936 564678605 /nfs/dbraw/zinc/67/86/05/564678605.db2.gz YGLRABJHPYHBEA-KRWDZBQOSA-N 1 0 381.314 2.925 20 0 GFADRO COC(=O)c1ccc(C[NH2+][C@@H](C2CC2)[C@@]2(CO)CCCO2)c(Br)c1 ZINC000552147161 564678897 /nfs/dbraw/zinc/67/88/97/564678897.db2.gz PBXZVBPFHVUVDO-WMZOPIPTSA-N 1 0 398.297 2.645 20 0 GFADRO C[NH+](C)C[C@H]1CCCN1C(=O)c1ccc(-n2cc(Br)cn2)cc1 ZINC000524320983 564680102 /nfs/dbraw/zinc/68/01/02/564680102.db2.gz GZJBJRXOUCCKOZ-MRXNPFEDSA-N 1 0 377.286 2.801 20 0 GFADRO O=C(N[C@@H]1CCc2cc(Br)ccc21)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000457960206 564681495 /nfs/dbraw/zinc/68/14/95/564681495.db2.gz XPSQUPWSLXRFRD-DOTOQJQBSA-N 1 0 396.329 2.582 20 0 GFADRO CC[C@@H]1C[N@H+](CC)CCN1C(=O)NCc1cn2cc(Br)ccc2n1 ZINC000457961019 564681740 /nfs/dbraw/zinc/68/17/40/564681740.db2.gz YSPRTFRASGXOSA-OAHLLOKOSA-N 1 0 394.317 2.723 20 0 GFADRO CC[NH+](CC)CCCNC(=O)c1ccc(I)c(F)c1 ZINC000524444400 564682013 /nfs/dbraw/zinc/68/20/13/564682013.db2.gz XOYBUGAHDWEOAW-UHFFFAOYSA-N 1 0 378.229 2.892 20 0 GFADRO C[C@H]([NH2+]C[C@@H](O)COc1cccc(Br)c1)[C@@H](O)Cc1ccccc1 ZINC000574638380 564682596 /nfs/dbraw/zinc/68/25/96/564682596.db2.gz QUYLOIKDGBMMRA-YJLNNSPDSA-N 1 0 394.309 2.771 20 0 GFADRO CS(=O)(=O)[C@@H]1CCC[C@@H]([NH2+]C[C@@H](O)Cc2ccccc2C(F)(F)F)C1 ZINC000574632144 564682758 /nfs/dbraw/zinc/68/27/58/564682758.db2.gz ONAFVVJPIGNTSK-QLFBSQMISA-N 1 0 379.444 2.554 20 0 GFADRO C[C@H](Cc1cccc(Br)c1)NC(=O)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000457992998 564683041 /nfs/dbraw/zinc/68/30/41/564683041.db2.gz KGZZFSYQLQIYCB-PBHICJAKSA-N 1 0 398.345 2.526 20 0 GFADRO CC[N@@H+]1CCC[C@@H](NC(=O)NCc2nc3c(cccc3Br)[nH]2)C1 ZINC000458004092 564683102 /nfs/dbraw/zinc/68/31/02/564683102.db2.gz NXUSXOFWJXJERP-LLVKDONJSA-N 1 0 380.290 2.609 20 0 GFADRO O=C(NCC[C@@H]1CC[NH2+]C1)N1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000574668071 564683333 /nfs/dbraw/zinc/68/33/33/564683333.db2.gz XNMYSYBDMHMLJB-BBRMVZONSA-N 1 0 382.302 2.532 20 0 GFADRO CSc1ncc(Cl)c(C(=O)NCC2([NH+](C)C)Cc3ccccc3C2)n1 ZINC000524649666 564684812 /nfs/dbraw/zinc/68/48/12/564684812.db2.gz PELAROYCXHRWEM-UHFFFAOYSA-N 1 0 376.913 2.681 20 0 GFADRO C[C@H]([NH2+]C[C@@H]1CCCCN1S(C)(=O)=O)c1sccc1Br ZINC000552332327 564686588 /nfs/dbraw/zinc/68/65/88/564686588.db2.gz MBSZCKSZPSNTAP-QWRGUYRKSA-N 1 0 381.361 2.975 20 0 GFADRO COCC[C@H](Cc1cccc(Br)c1)C(=O)NCC[N@H+](C)C1CC1 ZINC000524961317 564691325 /nfs/dbraw/zinc/69/13/25/564691325.db2.gz GXHYMVQZEFYQCX-OAHLLOKOSA-N 1 0 383.330 2.855 20 0 GFADRO CSC1(CNC(=O)c2sc([C@H]3CCCOC3)nc2C)CC[NH+](C)CC1 ZINC000552466306 564692116 /nfs/dbraw/zinc/69/21/16/564692116.db2.gz AADFJVWDJLCUGU-AWEZNQCLSA-N 1 0 383.583 2.903 20 0 GFADRO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)NCC(C)(C)c1ccc(Cl)c(Cl)c1 ZINC000552501237 564693288 /nfs/dbraw/zinc/69/32/88/564693288.db2.gz SHFPKKJHWAMLHL-LBPRGKRZSA-N 1 0 388.339 2.844 20 0 GFADRO C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000525169853 564693888 /nfs/dbraw/zinc/69/38/88/564693888.db2.gz IKGFOGWNIYQWRM-ZBFHGGJFSA-N 1 0 380.330 2.606 20 0 GFADRO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)NCCc2cc(Cl)cc(Cl)c2)C1 ZINC000552507198 564694205 /nfs/dbraw/zinc/69/42/05/564694205.db2.gz ZTISSGBREFFVBI-MRXNPFEDSA-N 1 0 386.323 2.595 20 0 GFADRO CS(=O)(=O)c1ccc(C[NH2+]C[C@@H](CO)Cc2c(F)cccc2Cl)cc1 ZINC000525181651 564695152 /nfs/dbraw/zinc/69/51/52/564695152.db2.gz DERMVJSOMUDFHU-AWEZNQCLSA-N 1 0 385.888 2.823 20 0 GFADRO C[C@H]([NH2+]CCNC(=O)c1ccc(Br)cc1)c1cc2n(n1)CCC2 ZINC000575691146 564702046 /nfs/dbraw/zinc/70/20/46/564702046.db2.gz YBKCOQQMECRLJI-LBPRGKRZSA-N 1 0 377.286 2.672 20 0 GFADRO CC(C)[C@@H]1CN(CC(=O)N(C)Cc2ccccc2Br)CC[N@@H+]1C ZINC000488096410 564703495 /nfs/dbraw/zinc/70/34/95/564703495.db2.gz SSMMDBZECPHKQR-KRWDZBQOSA-N 1 0 382.346 2.680 20 0 GFADRO Cc1ccnc(NCc2ccc(N3CC[NH+](C)CC3)nc2)c1Br ZINC000552906098 564704407 /nfs/dbraw/zinc/70/44/07/564704407.db2.gz LKWGJEQCLAHVCP-UHFFFAOYSA-N 1 0 376.302 2.911 20 0 GFADRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)NCc2nc3c(cccc3Br)[nH]2)C1 ZINC000458509408 564704462 /nfs/dbraw/zinc/70/44/62/564704462.db2.gz PFYVXISWJAYISM-NEPJUHHUSA-N 1 0 394.317 2.997 20 0 GFADRO CC[C@@H](C(=O)NCCCNC(=O)c1cccc(Br)c1)[NH+](CC)CC ZINC000525691913 564705258 /nfs/dbraw/zinc/70/52/58/564705258.db2.gz KHZRYLZFEYASCV-INIZCTEOSA-N 1 0 398.345 2.806 20 0 GFADRO CN(C(=O)[C@H](c1ccc(Br)cc1)N1CCCC1)[C@@H]1CCC[C@H]1O ZINC000552994033 564705955 /nfs/dbraw/zinc/70/59/55/564705955.db2.gz DMFGEQGWUCZLPD-ZACQAIPSSA-N 1 0 381.314 2.958 20 0 GFADRO [NH3+][C@@H](CNC(=O)N1CCC[C@@H](Nc2cccc(Br)c2)C1)C1CC1 ZINC000576212151 564707743 /nfs/dbraw/zinc/70/77/43/564707743.db2.gz ATIIRVYGFDWSGZ-CVEARBPZSA-N 1 0 381.318 2.772 20 0 GFADRO C[NH2+][C@@H]1CCCN(C(=O)[C@@H](c2ccc(Br)cc2)N2CCCC2)C1 ZINC000576225558 564708061 /nfs/dbraw/zinc/70/80/61/564708061.db2.gz TUJJKEPLCLLNSD-IAGOWNOFSA-N 1 0 380.330 2.796 20 0 GFADRO C[C@@H]1C[NH+](CC(=O)N2CCN(Cc3cccc(Cl)c3)CC2)C[C@@H](C)S1 ZINC000525783892 564708196 /nfs/dbraw/zinc/70/81/96/564708196.db2.gz NFFYSRGVCHKRJD-HZPDHXFCSA-N 1 0 381.973 2.810 20 0 GFADRO CC[C@@H]1[C@@H](CO)CCN1C(=O)NCc1cn2cc(Br)cc(C)c2n1 ZINC000458645220 564709662 /nfs/dbraw/zinc/70/96/62/564709662.db2.gz FYDRWLPCNZTZQT-IUODEOHRSA-N 1 0 395.301 2.708 20 0 GFADRO CC[N@H+](Cc1cc(Br)cc(Br)c1)[C@@H]1CCNC1=O ZINC000576265861 564710221 /nfs/dbraw/zinc/71/02/21/564710221.db2.gz CMDUNVVGBMNEKE-GFCCVEGCSA-N 1 0 376.092 2.922 20 0 GFADRO COc1cc(Br)ccc1CNC(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000458663076 564710719 /nfs/dbraw/zinc/71/07/19/564710719.db2.gz HWMGBJDJOAKJKD-ZDUSSCGKSA-N 1 0 384.318 2.989 20 0 GFADRO O=C(CC[NH2+][C@@H]1CCO[C@@]2(CCOC2)C1)Nc1ccc(Br)cc1 ZINC000576272507 564710951 /nfs/dbraw/zinc/71/09/51/564710951.db2.gz ZXYWALKBQVNGOO-WBVHZDCISA-N 1 0 383.286 2.705 20 0 GFADRO C[NH+](C)CCOCCNC(=O)NCCc1ccc(Br)cc1Cl ZINC000458678969 564711804 /nfs/dbraw/zinc/71/18/04/564711804.db2.gz ABVNLBBMTZBZGQ-UHFFFAOYSA-N 1 0 392.725 2.522 20 0 GFADRO C[C@@H]1C[C@@H]1C[NH2+][C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 ZINC000488533243 564713469 /nfs/dbraw/zinc/71/34/69/564713469.db2.gz PBENUVQGPOHAFN-UMVBOHGHSA-N 1 0 387.343 2.848 20 0 GFADRO C[NH+](C)CCN1CCC(Nc2ccc(Br)c(C(F)(F)F)n2)CC1 ZINC000553280066 564714676 /nfs/dbraw/zinc/71/46/76/564714676.db2.gz QLBZHMCMGAOKLT-UHFFFAOYSA-N 1 0 395.267 3.301 20 0 GFADRO CCS(=O)(=O)N1CCC(C[NH2+][C@H]2CCSc3ccc(OC)cc32)CC1 ZINC000525973446 564714730 /nfs/dbraw/zinc/71/47/30/564714730.db2.gz GLBVUCDPARIQPA-KRWDZBQOSA-N 1 0 384.567 2.883 20 0 GFADRO Cc1nc2ccc(Br)cn2c1C(=O)N1CCCC[C@@H]1C[NH+](C)C ZINC000526002238 564715610 /nfs/dbraw/zinc/71/56/10/564715610.db2.gz UCVMTXGLNZVRSS-CQSZACIVSA-N 1 0 379.302 2.962 20 0 GFADRO C[N@@H+]1CC[C@@]2(CCN(c3ncnc4cccc(I)c43)C2)C1 ZINC000488752562 564718875 /nfs/dbraw/zinc/71/88/75/564718875.db2.gz YFZATTVSACZZPE-MRXNPFEDSA-N 1 0 394.260 2.766 20 0 GFADRO CC(C)[N@@H+](C)C[C@H](C)NC(=O)NCc1nc2c(cccc2Br)[nH]1 ZINC000458806724 564718996 /nfs/dbraw/zinc/71/89/96/564718996.db2.gz LJIJKSURGRGZLX-NSHDSACASA-N 1 0 382.306 2.853 20 0 GFADRO CO[C@@H](CNC(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1)C1CC1 ZINC000458851589 564720692 /nfs/dbraw/zinc/72/06/92/564720692.db2.gz KCSMJVZLLWSUMS-KRWDZBQOSA-N 1 0 398.345 2.947 20 0 GFADRO Cc1ccc(Cl)c2sc(NC(=O)[C@@H]3CC(=O)N(CC[NH+](C)C)C3)nc21 ZINC000553488570 564722254 /nfs/dbraw/zinc/72/22/54/564722254.db2.gz AJZWJJKIPTYUJN-LLVKDONJSA-N 1 0 380.901 2.607 20 0 GFADRO O=C(N[C@@H]1CCc2sc(Cl)cc21)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000577047430 564723504 /nfs/dbraw/zinc/72/35/04/564723504.db2.gz AWDYWIWOKJZWMA-SSDMNJCBSA-N 1 0 382.961 2.904 20 0 GFADRO Cc1nc(CNC(=O)N2CC[N@@H+](C3CC3)C[C@@H](C)C2)sc1Br ZINC000458919627 564723936 /nfs/dbraw/zinc/72/39/36/564723936.db2.gz DTZUPDVYXQOGFY-SNVBAGLBSA-N 1 0 387.347 2.840 20 0 GFADRO O=C(NCCOc1ccc(Cl)c(Cl)c1)NC[C@H]1CCC[N@H+]1CCCO ZINC000458945136 564725692 /nfs/dbraw/zinc/72/56/92/564725692.db2.gz PYEVFORZWKDJDO-CYBMUJFWSA-N 1 0 390.311 2.518 20 0 GFADRO COC[C@@]1(CNC(=O)c2cc(C)nc3cc(Br)ccc32)CCC[NH2+]1 ZINC000577176374 564728081 /nfs/dbraw/zinc/72/80/81/564728081.db2.gz NEELVQXXWMFJTO-SFHVURJKSA-N 1 0 392.297 2.804 20 0 GFADRO O=S(=O)(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1cccc(OC(F)(F)F)c1F ZINC000489130816 564730534 /nfs/dbraw/zinc/73/05/34/564730534.db2.gz PCNWUYNUAIOTJI-MNOVXSKESA-N 1 0 382.379 2.629 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)[C@@H]1CCN(CC(F)(F)F)C1)c1ccc(Cl)cc1 ZINC000527166841 564732662 /nfs/dbraw/zinc/73/26/62/564732662.db2.gz NWERZMBFJPICLX-UKRRQHHQSA-N 1 0 377.838 2.943 20 0 GFADRO C[NH+]1CCN(c2ccc(Br)cc2NC(=O)C[C@H]2CCOC2)CC1 ZINC000489252544 564733360 /nfs/dbraw/zinc/73/33/60/564733360.db2.gz MQLMFJVZWHZZKM-CYBMUJFWSA-N 1 0 382.302 2.566 20 0 GFADRO Cc1cc(Br)cc(C)c1CNC(=O)N1CC[N@@H+](C[C@@H](C)O)C[C@H]1C ZINC000489260272 564733991 /nfs/dbraw/zinc/73/39/91/564733991.db2.gz RZNKQGMVJMPFIM-HUUCEWRRSA-N 1 0 398.345 2.662 20 0 GFADRO CC[C@H]1CN(C(=O)NCc2ccc(Br)c(C)c2)CC[N@@H+]1C[C@H](C)O ZINC000459172222 564734189 /nfs/dbraw/zinc/73/41/89/564734189.db2.gz JCKZILDHKOJEIV-HOCLYGCPSA-N 1 0 398.345 2.744 20 0 GFADRO O=C(NCCc1cccc(Cl)c1Cl)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000489266289 564734486 /nfs/dbraw/zinc/73/44/86/564734486.db2.gz JMGDPDVSESLHLC-AWEZNQCLSA-N 1 0 386.323 2.900 20 0 GFADRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)Nc1cc(Br)ccc1N1CCOCC1 ZINC000577512005 564735887 /nfs/dbraw/zinc/73/58/87/564735887.db2.gz GPZSHIQMPZJGRV-VXGBXAGGSA-N 1 0 385.306 2.533 20 0 GFADRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)NCCOc2cccc(Br)c2)C1 ZINC000489336657 564736116 /nfs/dbraw/zinc/73/61/16/564736116.db2.gz ZRESUXQYMIIHRK-CABCVRRESA-N 1 0 384.318 3.000 20 0 GFADRO Cc1c(C(=O)NCC[N@H+]2CC=CCC2)cnn1-c1cccc(Br)c1 ZINC000527268570 564736142 /nfs/dbraw/zinc/73/61/42/564736142.db2.gz VIQMGDBRPBUPCH-UHFFFAOYSA-N 1 0 389.297 2.935 20 0 GFADRO C[C@@H](Sc1cc(Cl)ccc1Cl)C(=O)N[C@@H](C)C(=O)NCC[NH+](C)C ZINC000577520611 564736386 /nfs/dbraw/zinc/73/63/86/564736386.db2.gz BKKAMCLEDNKOHK-WDEREUQCSA-N 1 0 392.352 2.657 20 0 GFADRO C[N@@H+]1CC[C@@]2(CCN(C(=O)C3(c4cccc(Br)c4)CC(=O)C3)C2)C1 ZINC000553794926 564737096 /nfs/dbraw/zinc/73/70/96/564737096.db2.gz XZXRTTVRXWUHRY-GOSISDBHSA-N 1 0 391.309 2.604 20 0 GFADRO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)NC[C@H](C)[NH+]1CCCC1 ZINC000527293642 564737395 /nfs/dbraw/zinc/73/73/95/564737395.db2.gz BTGMNBFRNFOSFO-KBPBESRZSA-N 1 0 390.933 2.516 20 0 GFADRO C[N@@H+]1CCC[C@@H](CCNC(=O)N[C@@H](CO)c2ccc(Br)cc2)C1 ZINC000459328772 564740017 /nfs/dbraw/zinc/74/00/17/564740017.db2.gz YNPOBWKRADJDIY-BBRMVZONSA-N 1 0 384.318 2.514 20 0 GFADRO C[N@H+](CCn1cc(Cl)cn1)C[C@@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000459343781 564740994 /nfs/dbraw/zinc/74/09/94/564740994.db2.gz LZDKGYZJJRWHKD-CQSZACIVSA-N 1 0 377.794 2.927 20 0 GFADRO CCN1C[C@@H](C)N(C(=O)COc2ccc(Br)cc2C(C)=O)[C@@H](C)C1 ZINC000578170531 564742312 /nfs/dbraw/zinc/74/23/12/564742312.db2.gz AZCADASPTRMBDM-BETUJISGSA-N 1 0 397.313 2.972 20 0 GFADRO CN1CCN([C@H](C[NH2+][C@H]2CCO[C@H](C(F)(F)F)C2)c2cccs2)CC1 ZINC000578350469 564743301 /nfs/dbraw/zinc/74/33/01/564743301.db2.gz DNKZYNNWXQQYTM-LZWOXQAQSA-N 1 0 377.476 2.736 20 0 GFADRO CCOc1cc(C[NH2+][C@@H]2CC(=O)N([C@H]3C[C@@H]3C)C2)cc(Br)c1O ZINC000459409453 564743417 /nfs/dbraw/zinc/74/34/17/564743417.db2.gz BHCOPZCTXNLIEH-SUHUHFCYSA-N 1 0 383.286 2.652 20 0 GFADRO Cn1cnc(CC[NH2+][C@H](c2cccc(Br)c2)C2CCOCC2)n1 ZINC000527506099 564743486 /nfs/dbraw/zinc/74/34/86/564743486.db2.gz DGFWNCLMTQIAJX-KRWDZBQOSA-N 1 0 379.302 2.878 20 0 GFADRO COc1ccc(Br)c(C(=O)NCCC[NH2+]Cc2cc(C)on2)c1 ZINC000459405158 564743816 /nfs/dbraw/zinc/74/38/16/564743816.db2.gz NEKYJEUSHWCZAL-UHFFFAOYSA-N 1 0 382.258 2.664 20 0 GFADRO CCO[C@@H]1C[C@H]([NH2+]C[C@H](O)COc2ccccc2Br)[C@@H]1SC ZINC000459429712 564744835 /nfs/dbraw/zinc/74/48/35/564744835.db2.gz HWHIVNSZZXWALB-YUDUHTQSSA-N 1 0 390.343 2.687 20 0 GFADRO CCO[C@@H]1C[C@H]([NH2+]C[C@H](O)COc2ccccc2Br)[C@H]1SC ZINC000459429709 564745240 /nfs/dbraw/zinc/74/52/40/564745240.db2.gz HWHIVNSZZXWALB-DDUYRFODSA-N 1 0 390.343 2.687 20 0 GFADRO C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000579471569 564748052 /nfs/dbraw/zinc/74/80/52/564748052.db2.gz IYLIYKZLQITXBS-QWHCGFSZSA-N 1 0 387.307 2.975 20 0 GFADRO C[N@@H+]1CCC[C@@H](CNC(=O)N2CCc3ccc(F)c(Br)c3C2)C1 ZINC000527593129 564748086 /nfs/dbraw/zinc/74/80/86/564748086.db2.gz FDDOCYBYJODSJR-LBPRGKRZSA-N 1 0 384.293 2.998 20 0 GFADRO C[N@@H+]1CCC[C@H](CNC(=O)N2CCSC[C@H]2CCO)[C@H]1c1cccs1 ZINC000579626407 564749254 /nfs/dbraw/zinc/74/92/54/564749254.db2.gz WWCYAYNMBRLSJE-INMHGKMJSA-N 1 0 383.583 2.640 20 0 GFADRO CN(C)S(=O)(=O)N1CCC[C@@H]([NH2+][C@@H]2CCSc3ccc(Cl)cc32)C1 ZINC000554091350 564750586 /nfs/dbraw/zinc/75/05/86/564750586.db2.gz GPMNMXUWEDNMSE-UKRRQHHQSA-N 1 0 389.974 2.737 20 0 GFADRO O[C@H](C[NH2+][C@@H]1CCO[C@H](C(F)(F)F)C1)COc1ccccc1Br ZINC000554108565 564750899 /nfs/dbraw/zinc/75/08/99/564750899.db2.gz GLXCIZVQVFUPDH-GYSYKLTISA-N 1 0 398.219 2.888 20 0 GFADRO CCNC(=O)C(C)(C)NCc1ccnc(-c2ccc(Br)cc2)n1 ZINC000459581096 564751191 /nfs/dbraw/zinc/75/11/91/564751191.db2.gz CLKRULXXHSZQAR-UHFFFAOYSA-N 1 0 377.286 2.910 20 0 GFADRO COc1ccc(Br)cc1C[C@H](CO)C[NH2+]C1CCN(C2CC2)CC1 ZINC000459565291 564751669 /nfs/dbraw/zinc/75/16/69/564751669.db2.gz GLHGUBKSNVKGDR-AWEZNQCLSA-N 1 0 397.357 2.825 20 0 GFADRO CS(=O)(=O)CC1CCC([NH2+]Cc2cccc(O)c2Br)CC1 ZINC000459568331 564751682 /nfs/dbraw/zinc/75/16/82/564751682.db2.gz KNUBBYDMNJHJSS-UHFFFAOYSA-N 1 0 376.316 2.848 20 0 GFADRO CC(C)C[N@@H+]1CCO[C@@H](CNCc2ncc(Cl)cc2Br)C1 ZINC000527632212 564751997 /nfs/dbraw/zinc/75/19/97/564751997.db2.gz QZPHVSOZFKAUEM-ZDUSSCGKSA-N 1 0 376.726 2.944 20 0 GFADRO Cc1cccc(I)c1C(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000554142240 564752157 /nfs/dbraw/zinc/75/21/57/564752157.db2.gz QUUYLCSPTUAPMR-INIZCTEOSA-N 1 0 384.261 2.767 20 0 GFADRO C[C@H](Cc1ccc(F)cc1Br)[NH2+]C1CCN(S(C)(=O)=O)CC1 ZINC000579876928 564753233 /nfs/dbraw/zinc/75/32/33/564753233.db2.gz ZLOBXSZDVCALCF-LLVKDONJSA-N 1 0 393.322 2.533 20 0 GFADRO C[C@@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)C[C@H](O)Cc1cccc(Cl)c1 ZINC000554222541 564753945 /nfs/dbraw/zinc/75/39/45/564753945.db2.gz NJMMBWGKMWLQNE-SUMWQHHRSA-N 1 0 382.913 2.584 20 0 GFADRO Cn1cc([C@@](C)(O)C[NH2+]Cc2c[nH]nc2-c2ccc(Br)s2)cn1 ZINC000527663659 564753917 /nfs/dbraw/zinc/75/39/17/564753917.db2.gz AXBJSPUSXWTEOQ-HNNXBMFYSA-N 1 0 396.314 2.632 20 0 GFADRO O=S1(=O)CCC[C@@H]1C[NH2+]Cc1c[nH]nc1-c1ccc(Br)s1 ZINC000527678307 564755576 /nfs/dbraw/zinc/75/55/76/564755576.db2.gz YUGIFOSJUCTLMZ-SNVBAGLBSA-N 1 0 390.328 2.568 20 0 GFADRO Brc1cccc(-c2cnc(CN3CCN([C@@H]4CC[NH2+]C4)CC3)o2)c1 ZINC000489883583 564756591 /nfs/dbraw/zinc/75/65/91/564756591.db2.gz MHBTVMNJRNQYDU-MRXNPFEDSA-N 1 0 391.313 2.584 20 0 GFADRO COc1ccncc1CNC(=O)Cc1ccccc1I ZINC000554368326 564758630 /nfs/dbraw/zinc/75/86/30/564758630.db2.gz GQADFWQFWHKSPZ-UHFFFAOYSA-N 1 0 382.201 2.554 20 0 GFADRO CCc1nnc(NC(=O)[C@H](C)[C@H](C)[NH2+][C@H]2CCO[C@H](C(F)(F)F)C2)s1 ZINC000554371694 564758656 /nfs/dbraw/zinc/75/86/56/564758656.db2.gz VCGCPKDMZKTNFW-RCWTZXSCSA-N 1 0 380.436 2.763 20 0 GFADRO COC1(C[NH2+]C[C@@H](CO)Cc2cc(F)cc(Br)c2)CCOCC1 ZINC000459714546 564759092 /nfs/dbraw/zinc/75/90/92/564759092.db2.gz XTFSCXOFVJFUDG-AWEZNQCLSA-N 1 0 390.293 2.524 20 0 GFADRO COCc1cc(C[NH2+]C[C@H](CO)Cc2cc(F)cc(Br)c2)no1 ZINC000459711018 564759128 /nfs/dbraw/zinc/75/91/28/564759128.db2.gz VEUHSRQYIDMDNO-GFCCVEGCSA-N 1 0 387.249 2.663 20 0 GFADRO COc1ccc([C@@H](C)NC(=O)c2ccn(CC[NH+](C)C)n2)cc1Br ZINC000580446776 564759472 /nfs/dbraw/zinc/75/94/72/564759472.db2.gz WGTRYNOLITZWIW-GFCCVEGCSA-N 1 0 395.301 2.707 20 0 GFADRO COc1ccc([C@@H](CO)C[NH2+]Cc2cnc3ccc(Br)cn23)cc1 ZINC000459727412 564759552 /nfs/dbraw/zinc/75/95/52/564759552.db2.gz DZQYOFDDNVBHGA-CQSZACIVSA-N 1 0 390.281 2.971 20 0 GFADRO COCC1(S(=O)(=O)N(CC[NH+]2CCCC2)Cc2ccc(Cl)cc2)CC1 ZINC000580481697 564760208 /nfs/dbraw/zinc/76/02/08/564760208.db2.gz LVRMFBSMFANGBR-UHFFFAOYSA-N 1 0 386.945 2.747 20 0 GFADRO C[C@H](CNS(=O)(=O)c1cc(Br)sc1Cl)C[NH+](C)C ZINC000490048307 564761014 /nfs/dbraw/zinc/76/10/14/564761014.db2.gz LFAXPGKHMUIRIX-SSDOTTSWSA-N 1 0 375.741 2.640 20 0 GFADRO C[C@@]1(n2cc(C[NH2+]C[C@@H]3CCCCC(F)(F)C3)cn2)CCS(=O)(=O)C1 ZINC000580511475 564761532 /nfs/dbraw/zinc/76/15/32/564761532.db2.gz WQSNFQAUENASOJ-GDBMZVCRSA-N 1 0 375.485 2.722 20 0 GFADRO CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000459861098 564763678 /nfs/dbraw/zinc/76/36/78/564763678.db2.gz VAWOQNUITVRWOY-CQSZACIVSA-N 1 0 383.945 2.837 20 0 GFADRO CN(CC[NH+](C)C)C(=O)C(=O)N1CCC(c2ccc(Cl)cc2Cl)CC1 ZINC000459899381 564764486 /nfs/dbraw/zinc/76/44/86/564764486.db2.gz QGWSVKUSSPJCGR-UHFFFAOYSA-N 1 0 386.323 2.719 20 0 GFADRO C[N@H+](CC(=O)NCc1csc(CCc2ccccc2)n1)[C@@H]1CCSC1 ZINC000490127884 564764632 /nfs/dbraw/zinc/76/46/32/564764632.db2.gz AFUCJXQXLTYZOZ-QGZVFWFLSA-N 1 0 375.563 2.982 20 0 GFADRO CC(C)[C@@H]1C[NH2+]CCN1S(=O)(=O)c1cccc(Cl)c1Br ZINC000528049796 564768158 /nfs/dbraw/zinc/76/81/58/564768158.db2.gz UGPAEHBYVDGRBC-NSHDSACASA-N 1 0 381.723 2.721 20 0 GFADRO C[C@H]([NH2+]CCCn1cc(Br)cn1)c1ccccc1-n1ccnn1 ZINC000490359242 564769102 /nfs/dbraw/zinc/76/91/02/564769102.db2.gz AZIBDHCNRRDDOZ-ZDUSSCGKSA-N 1 0 375.274 2.967 20 0 GFADRO C[NH+]1CCN(c2ccnc(-c3noc([C@@H]4C[C@]4(C)Br)n3)c2)CC1 ZINC000528141344 564771052 /nfs/dbraw/zinc/77/10/52/564771052.db2.gz PEVIRYHJRXEOTM-LRDDRELGSA-N 1 0 378.274 2.524 20 0 GFADRO C[C@@H]([NH2+]C[C@@H]1CCCCS1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000554812783 564774419 /nfs/dbraw/zinc/77/44/19/564774419.db2.gz GVUSLFKZRBCEIP-WBVHZDCISA-N 1 0 384.567 2.644 20 0 GFADRO CS[C@@H]1CN(Cc2csc(N(C(C)=O)C3CC3)n2)C[C@H]1[NH+]1CCCC1 ZINC000460359067 564774959 /nfs/dbraw/zinc/77/49/59/564774959.db2.gz ZCPZBEWQYPNFHG-IAGOWNOFSA-N 1 0 380.583 2.670 20 0 GFADRO COc1ccc(NC(=O)CN2C[C@@H](SC)[C@H]([NH+]3CCCC3)C2)cc1Cl ZINC000460365934 564775072 /nfs/dbraw/zinc/77/50/72/564775072.db2.gz WUJHJCJONHBILH-NVXWUHKLSA-N 1 0 383.945 2.799 20 0 GFADRO CCCN(C(=O)c1scc(C)c1I)[C@@H]1CC[NH2+]C1 ZINC000580828488 564775491 /nfs/dbraw/zinc/77/54/91/564775491.db2.gz WEPBRJYOBYDECR-SNVBAGLBSA-N 1 0 378.279 2.875 20 0 GFADRO C[N@@H+]1CC[C@@]2(CCN(S(=O)(=O)c3ccc(Br)c(Cl)c3)C2)C1 ZINC000490603081 564778701 /nfs/dbraw/zinc/77/87/01/564778701.db2.gz RAQLJIDRRFZFNH-CQSZACIVSA-N 1 0 393.734 2.819 20 0 GFADRO Cn1c(SCC(=O)N2CCC[C@H]([NH+](C)C)CC2)nnc1-c1cccs1 ZINC000580926840 564779526 /nfs/dbraw/zinc/77/95/26/564779526.db2.gz PBVXHKQGASCDCT-ZDUSSCGKSA-N 1 0 379.555 2.578 20 0 GFADRO C[NH+](C)CCOc1cccc(NC(=O)c2c[nH]c(=O)c(Br)c2)c1 ZINC000460877354 564783012 /nfs/dbraw/zinc/78/30/12/564783012.db2.gz CDNQEEPXQWUMEM-UHFFFAOYSA-N 1 0 380.242 2.742 20 0 GFADRO C[C@H]1c2cc(Cl)cc(Cl)c2CCN1C(=O)C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000581005973 564783926 /nfs/dbraw/zinc/78/39/26/564783926.db2.gz KUDQYZCUDDTJNP-RYUDHWBXSA-N 1 0 384.307 2.636 20 0 GFADRO CO[C@]1(C[NH2+][C@H](C)c2nnn(-c3cccc(Br)c3)c2C)CCOC1 ZINC000461089976 564788900 /nfs/dbraw/zinc/78/89/00/564788900.db2.gz RYPLYSJYNADTET-PXAZEXFGSA-N 1 0 395.301 2.794 20 0 GFADRO CO[C@]1(C[NH2+][C@@H](C)c2nnn(-c3cccc(Br)c3)c2C)CCOC1 ZINC000461089977 564789044 /nfs/dbraw/zinc/78/90/44/564789044.db2.gz RYPLYSJYNADTET-SJCJKPOMSA-N 1 0 395.301 2.794 20 0 GFADRO C[C@H](Oc1cccc(Br)c1)C(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1 ZINC000461116927 564790460 /nfs/dbraw/zinc/79/04/60/564790460.db2.gz ZDRXRXWPFZGFBF-YOEHRIQHSA-N 1 0 399.329 2.786 20 0 GFADRO O=C(CCOc1ccc(Cl)c(Cl)c1)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000461192039 564791306 /nfs/dbraw/zinc/79/13/06/564791306.db2.gz KIXHFCKDSCACAO-CQSZACIVSA-N 1 0 387.307 2.943 20 0 GFADRO Cc1cccc(CC(=O)N2CCC(OCC[NH+](C)C)CC2)c1Br ZINC000528557728 564794992 /nfs/dbraw/zinc/79/49/92/564794992.db2.gz UVWHPRACSMJKEQ-UHFFFAOYSA-N 1 0 383.330 2.869 20 0 GFADRO C[C@H]1CCC[N@H+](CCNS(=O)(=O)c2ccc(OCC(F)(F)F)cc2)C1 ZINC000491649572 564795600 /nfs/dbraw/zinc/79/56/00/564795600.db2.gz PFFHNWSEHKVGLP-ZDUSSCGKSA-N 1 0 380.432 2.638 20 0 GFADRO CC[NH+]1CCC(CNC(=O)C(=O)Nc2cc(C)c(Br)c(C)c2)CC1 ZINC000581286701 564796025 /nfs/dbraw/zinc/79/60/25/564796025.db2.gz DDULGODZFLEIOA-UHFFFAOYSA-N 1 0 396.329 2.853 20 0 GFADRO COC(=O)c1sccc1S(=O)(=O)N(C)C(C)(C)C[NH+]1CCCCCC1 ZINC000491861615 564796481 /nfs/dbraw/zinc/79/64/81/564796481.db2.gz BYEACZZASVBLFF-UHFFFAOYSA-N 1 0 388.555 2.810 20 0 GFADRO C[C@H](CC(N)=O)C(=O)N(CC[NH+]1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC000555548847 564796767 /nfs/dbraw/zinc/79/67/67/564796767.db2.gz KQNHKYAIWCWCNA-CYBMUJFWSA-N 1 0 386.323 2.929 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1CCC(=O)N(C)CC(=O)Nc1ccc(Br)cn1 ZINC000555559140 564797635 /nfs/dbraw/zinc/79/76/35/564797635.db2.gz ILVVGCGNCRSHSH-CYBMUJFWSA-N 1 0 397.317 2.506 20 0 GFADRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cccc(I)c2)[C@@H]1n1cccn1 ZINC000555648328 564800432 /nfs/dbraw/zinc/80/04/32/564800432.db2.gz YEWRMYPLVSQRQU-OAGGEKHMSA-N 1 0 397.260 2.996 20 0 GFADRO NS(=O)(=O)C[C@H]1CCC[N@H+](CC/C=C\c2ccc(Br)cc2)C1 ZINC000581393037 564800863 /nfs/dbraw/zinc/80/08/63/564800863.db2.gz BMBXUILPCBYATN-RTNQIJGDSA-N 1 0 387.343 2.853 20 0 GFADRO O=C(NCCCn1cc(Br)cn1)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000492295114 564800959 /nfs/dbraw/zinc/80/09/59/564800959.db2.gz PDHOQZRCZTYWOQ-MRXNPFEDSA-N 1 0 383.334 2.949 20 0 GFADRO CNC(=O)c1ccc(C[NH2+][C@H](CO)c2ccc(Br)c(F)c2)cc1 ZINC000492310827 564801431 /nfs/dbraw/zinc/80/14/31/564801431.db2.gz HLSUWUOZPXXUPK-MRXNPFEDSA-N 1 0 381.245 2.771 20 0 GFADRO C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1[NH2+]CC(=O)Nc1ccccc1I ZINC000528760233 564803246 /nfs/dbraw/zinc/80/32/46/564803246.db2.gz XGZBHUHCLDOPNH-ZVXAKGHKSA-N 1 0 388.249 2.631 20 0 GFADRO O=C(NCCC[NH+]1CCCCC1)C(=O)NCCSc1ccc(Cl)cc1 ZINC000555725677 564803394 /nfs/dbraw/zinc/80/33/94/564803394.db2.gz IMYHRPVGGAQIPD-UHFFFAOYSA-N 1 0 383.945 2.541 20 0 GFADRO CC[N@H+](CCNS(=O)(=O)c1cccc(Cl)c1Br)C1CC1 ZINC000493081505 564805468 /nfs/dbraw/zinc/80/54/68/564805468.db2.gz QSMIAZWIQHOFQS-UHFFFAOYSA-N 1 0 381.723 2.865 20 0 GFADRO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1CCSc1ccnc2cc(Cl)ccc21 ZINC000492938177 564805796 /nfs/dbraw/zinc/80/57/96/564805796.db2.gz XVVLGXGPZILVLF-AWEZNQCLSA-N 1 0 399.969 2.994 20 0 GFADRO C[C@@H](c1ccccc1Br)N(C)C(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000581546797 564807120 /nfs/dbraw/zinc/80/71/20/564807120.db2.gz ICYSEZWDSMUQII-STQMWFEESA-N 1 0 392.301 2.626 20 0 GFADRO C[C@H]1CN(C(=O)NCCNc2ncc(C(F)(F)F)cc2Cl)[C@@H](C)C[NH2+]1 ZINC000581537554 564807312 /nfs/dbraw/zinc/80/73/12/564807312.db2.gz LHOOCTXINDDAQB-UWVGGRQHSA-N 1 0 379.814 2.558 20 0 GFADRO COC(=O)c1cc(Br)cc(C(=O)NCC[NH+]2CCCCCC2)c1 ZINC000461898923 564807581 /nfs/dbraw/zinc/80/75/81/564807581.db2.gz CFOSMEYPYRLSRI-UHFFFAOYSA-N 1 0 383.286 2.842 20 0 GFADRO C[C@@H]1CN(C(=O)c2ccsc2C(F)(F)F)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000528934490 564809881 /nfs/dbraw/zinc/80/98/81/564809881.db2.gz WZJKUKQRJBCURW-TZMCWYRMSA-N 1 0 375.460 2.865 20 0 GFADRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NS(=O)(=O)c1cccc(Cl)c1Br ZINC000493850977 564810723 /nfs/dbraw/zinc/81/07/23/564810723.db2.gz WKGJJUBKNCPGCW-CABZTGNLSA-N 1 0 393.734 2.864 20 0 GFADRO COCCN1CCC([NH2+]CCC(=O)Nc2ccc(Br)cc2C)CC1 ZINC000462066081 564814208 /nfs/dbraw/zinc/81/42/08/564814208.db2.gz DMYDUXJPALRBCX-UHFFFAOYSA-N 1 0 398.345 2.787 20 0 GFADRO Cc1cc(Br)cc2c1[C@@H]([NH2+]CCCN1CCC[C@@H]1C(N)=O)CC2 ZINC000493962519 564815061 /nfs/dbraw/zinc/81/50/61/564815061.db2.gz UYQQGQLSKTYCMJ-JKSUJKDBSA-N 1 0 380.330 2.674 20 0 GFADRO COCC[N@H+](CCCN1CCOCC1)Cc1ccc(Br)s1 ZINC000494080303 564817084 /nfs/dbraw/zinc/81/70/84/564817084.db2.gz QSNBCRIDWYEVCR-UHFFFAOYSA-N 1 0 377.348 2.681 20 0 GFADRO COCC[N@H+](CCCN1CCOCC1)Cc1cc(Br)cs1 ZINC000494105449 564817258 /nfs/dbraw/zinc/81/72/58/564817258.db2.gz IMRTXSBEICCLOY-UHFFFAOYSA-N 1 0 377.348 2.681 20 0 GFADRO O=C(NCCOc1ccc(Br)cc1)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000581776850 564817513 /nfs/dbraw/zinc/81/75/13/564817513.db2.gz YKSQHMHDOGSTBD-GJZGRUSLSA-N 1 0 396.329 2.859 20 0 GFADRO CN(C[C@H]1CCC[N@H+](C)C1)S(=O)(=O)CCc1ccccc1Br ZINC000462089529 564817944 /nfs/dbraw/zinc/81/79/44/564817944.db2.gz ARZHTSSMJZCFCD-AWEZNQCLSA-N 1 0 389.359 2.595 20 0 GFADRO C[C@H]1CN(C(=O)c2cccc(F)c2Br)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000494131441 564818101 /nfs/dbraw/zinc/81/81/01/564818101.db2.gz SKYCPOZCJMXBSS-XJKSGUPXSA-N 1 0 398.320 2.686 20 0 GFADRO CCOc1ncccc1C[NH2+]C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000581808943 564818523 /nfs/dbraw/zinc/81/85/23/564818523.db2.gz BEPDCXFFANKBJY-HNNXBMFYSA-N 1 0 399.260 2.911 20 0 GFADRO CC[NH+]1CCC(NC(=O)N[C@@H]2CCN(c3cccc(Br)c3)C2)CC1 ZINC000494202401 564819021 /nfs/dbraw/zinc/81/90/21/564819021.db2.gz UHWWUSUEPQGRNY-MRXNPFEDSA-N 1 0 395.345 2.811 20 0 GFADRO Cc1ncc(C[NH2+]CCC(=O)N(C)Cc2ccccc2Br)n1C ZINC000581836009 564819965 /nfs/dbraw/zinc/81/99/65/564819965.db2.gz QMVIINVYFMIMLT-UHFFFAOYSA-N 1 0 379.302 2.629 20 0 GFADRO CC[NH+](CC)CCCNS(=O)(=O)CCc1ccccc1Br ZINC000462111230 564820248 /nfs/dbraw/zinc/82/02/48/564820248.db2.gz KZEBMIMYBQENBO-UHFFFAOYSA-N 1 0 377.348 2.643 20 0 GFADRO C[NH+](C)CCN(Cc1cccs1)S(=O)(=O)Cc1cc(C(C)(C)C)on1 ZINC000556374970 564821724 /nfs/dbraw/zinc/82/17/24/564821724.db2.gz HYASJZKFKQTHEZ-UHFFFAOYSA-N 1 0 385.555 2.927 20 0 GFADRO O=C(CC[N@@H+](CCO)Cc1cc(Br)cs1)Nc1cccnc1 ZINC000494277768 564822151 /nfs/dbraw/zinc/82/21/51/564822151.db2.gz UMOGYJURHQJKCY-UHFFFAOYSA-N 1 0 384.299 2.729 20 0 GFADRO C[NH+](C)C1(CNS(=O)(=O)c2cccc(Br)c2Cl)CCC1 ZINC000556378170 564822784 /nfs/dbraw/zinc/82/27/84/564822784.db2.gz HEWBKIKUHQPQAI-UHFFFAOYSA-N 1 0 381.723 2.865 20 0 GFADRO CC[N@H+]1C[C@@H](C)N(C(=O)c2ccc(I)c(F)c2)[C@@H](C)C1 ZINC000581967458 564825014 /nfs/dbraw/zinc/82/50/14/564825014.db2.gz RXOLYXAALUWPIQ-PHIMTYICSA-N 1 0 390.240 2.985 20 0 GFADRO CC[NH+](CC)C[C@H](C)NC(=O)NCc1cc(Br)cc2c1OCC2 ZINC000462200487 564826325 /nfs/dbraw/zinc/82/63/25/564826325.db2.gz GPIFEZCVXDSQNC-LBPRGKRZSA-N 1 0 384.318 2.914 20 0 GFADRO CC(=O)NC1CCC([N@H+](C)Cc2cn3ccc(Br)cc3n2)CC1 ZINC000582034764 564827399 /nfs/dbraw/zinc/82/73/99/564827399.db2.gz QPRAHEAWTKXAAH-UHFFFAOYSA-N 1 0 379.302 2.976 20 0 GFADRO C[C@H]1C[C@@H]1[N@@H+]1CCN(C(=O)C(=O)Nc2cccc(Br)c2)C[C@@H](C)C1 ZINC000556483950 564827976 /nfs/dbraw/zinc/82/79/76/564827976.db2.gz YZURGMWGXRIDMG-XEZPLFJOSA-N 1 0 394.313 2.576 20 0 GFADRO CC(C)[C@@H]1C[NH2+]CCN1C(=O)N[C@@H](c1cncc(Br)c1)C1CC1 ZINC000529329543 564828988 /nfs/dbraw/zinc/82/89/88/564828988.db2.gz JPBDKLVLDQUAPZ-JKSUJKDBSA-N 1 0 381.318 2.935 20 0 GFADRO [NH3+]CCC1CCN(C(=O)N[C@H]2CCN(c3cccc(Br)c3)C2)CC1 ZINC000582067684 564829656 /nfs/dbraw/zinc/82/96/56/564829656.db2.gz DUGHNTWUGPZDQZ-INIZCTEOSA-N 1 0 395.345 2.798 20 0 GFADRO CN(C(=O)N[C@@H]1CC[NH2+]C12CCC2)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000529352801 564830395 /nfs/dbraw/zinc/83/03/95/564830395.db2.gz UNEBPHISQMLTSQ-ARFHVFGLSA-N 1 0 384.307 2.878 20 0 GFADRO CNC(=O)c1cccc(NC(=O)N(CC[NH+](C)C)C(C)C)c1Br ZINC000494488628 564831196 /nfs/dbraw/zinc/83/11/96/564831196.db2.gz SOPFRZGEUZPNBQ-UHFFFAOYSA-N 1 0 385.306 2.613 20 0 GFADRO O=C(N[C@@H]1CC[NH2+]C12CCC2)N1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000529368181 564832023 /nfs/dbraw/zinc/83/20/23/564832023.db2.gz TVLGBDRQLBNRJI-HZPDHXFCSA-N 1 0 394.313 2.817 20 0 GFADRO CC[NH+](CC)CCS(=O)(=O)N(C)CCc1cccc(Br)c1 ZINC000462301516 564832920 /nfs/dbraw/zinc/83/29/20/564832920.db2.gz UAFWYLMNJZGSNT-UHFFFAOYSA-N 1 0 377.348 2.595 20 0 GFADRO C[NH+](C)C1(CNS(=O)(=O)c2ccc(F)cc2Cl)Cc2ccccc2C1 ZINC000462324085 564833514 /nfs/dbraw/zinc/83/35/14/564833514.db2.gz KGNHBHCFXMDBOK-UHFFFAOYSA-N 1 0 382.888 2.857 20 0 GFADRO CC1(CNC(=O)[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)CC[NH2+]CC1 ZINC000582240365 564836918 /nfs/dbraw/zinc/83/69/18/564836918.db2.gz HVMAEMOMRWCMBC-ZDUSSCGKSA-N 1 0 384.307 2.852 20 0 GFADRO Cn1cc([C@@H]2CN(C(=O)CSc3cc(Cl)ccc3Cl)C[C@H]2[NH3+])cn1 ZINC000582235796 564837114 /nfs/dbraw/zinc/83/71/14/564837114.db2.gz MIZGSFUIEUSFON-GXTWGEPZSA-N 1 0 385.320 2.772 20 0 GFADRO Cc1ccsc1[C@@H](CO)[NH2+]CC(=O)N(C)CCOc1ccc(Cl)cc1 ZINC000494686757 564837498 /nfs/dbraw/zinc/83/74/98/564837498.db2.gz AVWKVAAHURSVQR-MRXNPFEDSA-N 1 0 382.913 2.870 20 0 GFADRO OCCO[C@@H]1CCC[N@H+](Cc2c[nH]nc2-c2ccc(Br)s2)C1 ZINC000529528109 564839830 /nfs/dbraw/zinc/83/98/30/564839830.db2.gz REEKUJWBXMKHDZ-GFCCVEGCSA-N 1 0 386.315 2.874 20 0 GFADRO OC[C@H]([NH2+]C[C@@H](O)COc1cccc(Br)c1)c1ccc(F)cc1 ZINC000582320687 564840672 /nfs/dbraw/zinc/84/06/72/564840672.db2.gz LXEZZPZVTUJWKA-WBVHZDCISA-N 1 0 384.245 2.651 20 0 GFADRO CC(C)[NH+]1CCN([C@H]2CCN(Cc3ncc(Br)cc3F)C2)CC1 ZINC000529531799 564841347 /nfs/dbraw/zinc/84/13/47/564841347.db2.gz RDJOGZOVPVPRGW-HNNXBMFYSA-N 1 0 385.325 2.584 20 0 GFADRO COc1ccc(C[NH2+][C@H]2CCC[C@H](S(C)(=O)=O)C2)c(Br)c1 ZINC000556837284 564843258 /nfs/dbraw/zinc/84/32/58/564843258.db2.gz BTYXEOHGDOXBOZ-JSGCOSHPSA-N 1 0 376.316 2.903 20 0 GFADRO CCOC(=O)c1cc2cc(S(=O)(=O)N3CC[C@H]([NH3+])C[C@H]3C)ccc2s1 ZINC000582367792 564843731 /nfs/dbraw/zinc/84/37/31/564843731.db2.gz DSBKIFCHWLDVSB-YPMHNXCESA-N 1 0 382.507 2.578 20 0 GFADRO C[C@@H]1C[C@@H]([NH2+]CCCNS(=O)(=O)c2ccccc2Br)[C@H]1C ZINC000495005055 564845590 /nfs/dbraw/zinc/84/55/90/564845590.db2.gz ILXKYPMYRMGDGN-MBNYWOFBSA-N 1 0 375.332 2.752 20 0 GFADRO CNC(=O)COc1cccc(C[NH2+][C@@H](C)c2ccc(Br)cn2)c1 ZINC000556912593 564845919 /nfs/dbraw/zinc/84/59/19/564845919.db2.gz UBIMZVQRDGKSDD-LBPRGKRZSA-N 1 0 378.270 2.820 20 0 GFADRO CC[N@@H+]1CC[C@H](CNC(=O)Nc2cccc(C(=O)OC)c2Br)C1 ZINC000495001776 564846068 /nfs/dbraw/zinc/84/60/68/564846068.db2.gz ULVZMUBQCNFQBP-LLVKDONJSA-N 1 0 384.274 2.699 20 0 GFADRO Cc1ccc(S(=O)(=O)NC[C@H](C)C[NH+]2CCCC2)cc1Br ZINC000462535650 564846268 /nfs/dbraw/zinc/84/62/68/564846268.db2.gz IZWULDKEHGORPT-LBPRGKRZSA-N 1 0 375.332 2.768 20 0 GFADRO COc1ccc(C(=O)N2CCC(CC[NH3+])CC2)c(I)c1 ZINC000582427869 564846367 /nfs/dbraw/zinc/84/63/67/564846367.db2.gz FUWANNFDPDDQJK-UHFFFAOYSA-N 1 0 388.249 2.501 20 0 GFADRO Brc1cncc(Br)c1C[NH2+][C@@H]1CCn2ccnc2C1 ZINC000582427512 564846369 /nfs/dbraw/zinc/84/63/69/564846369.db2.gz AQTXOVYKYFEOPZ-SECBINFHSA-N 1 0 386.091 2.908 20 0 GFADRO Cc1cc(Cl)ccc1S(=O)(=O)NCC[NH2+][C@H](C)c1cnc(C)nc1C ZINC000556923151 564846791 /nfs/dbraw/zinc/84/67/91/564846791.db2.gz BEXOWDIOOCMUMD-GFCCVEGCSA-N 1 0 382.917 2.684 20 0 GFADRO O=C(Nc1ccc(CCn2cc(Br)cn2)cc1)NC1CC[NH2+]CC1 ZINC000556974384 564848800 /nfs/dbraw/zinc/84/88/00/564848800.db2.gz OCKJCWNUGRVZSE-UHFFFAOYSA-N 1 0 392.301 2.762 20 0 GFADRO OC[C@]1([C@H]([NH2+]Cc2cccc(I)c2)C2CC2)CCCO1 ZINC000556966975 564848993 /nfs/dbraw/zinc/84/89/93/564848993.db2.gz AGSIDNYFYDJUIQ-CVEARBPZSA-N 1 0 387.261 2.701 20 0 GFADRO O=S(=O)(NCC1CC[NH+](C2CC2)CC1)c1cccc(OC(F)(F)F)c1 ZINC000582525832 564849897 /nfs/dbraw/zinc/84/98/97/564849897.db2.gz XZITWXXZQGTRON-UHFFFAOYSA-N 1 0 378.416 2.738 20 0 GFADRO CS(=O)(=O)N1CC(C[NH2+]Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 ZINC000495187332 564850618 /nfs/dbraw/zinc/85/06/18/564850618.db2.gz XRCGXDDWVUCDEV-UHFFFAOYSA-N 1 0 390.349 2.705 20 0 GFADRO CC[C@@H]1CN(C(=O)[C@@H](C)c2cccc(Br)c2)CC[N@@H+]1C[C@@H](C)O ZINC000462589431 564851147 /nfs/dbraw/zinc/85/11/47/564851147.db2.gz HKLUSUXFCQOPGI-JKIFEVAISA-N 1 0 383.330 2.856 20 0 GFADRO CC[C@H]1CN(C(=O)Nc2nccc(Br)c2C)CC[N@@H+]1CCOC ZINC000582595244 564853543 /nfs/dbraw/zinc/85/35/43/564853543.db2.gz JHVHGFZMCRYRKF-ZDUSSCGKSA-N 1 0 385.306 2.727 20 0 GFADRO Cc1cc(Br)cn2cc(CC[NH2+]C[C@](C)(O)C(F)(F)F)nc12 ZINC000582602141 564853969 /nfs/dbraw/zinc/85/39/69/564853969.db2.gz KZSCFYXOYHNSQY-ZDUSSCGKSA-N 1 0 380.208 2.851 20 0 GFADRO CS[C@H]1CN(C(=O)c2cnn(Cc3ccccc3Cl)c2)C[C@@H]1[NH+](C)C ZINC000495581046 564855432 /nfs/dbraw/zinc/85/54/32/564855432.db2.gz SWDWMHXGSAFJLK-IRXDYDNUSA-N 1 0 378.929 2.702 20 0 GFADRO CN(CC(=O)N1CC[NH2+]CC1)C(=O)c1sc2cc(Cl)ccc2c1Cl ZINC000495578084 564855714 /nfs/dbraw/zinc/85/57/14/564855714.db2.gz QZXJMFIOEIEFKC-UHFFFAOYSA-N 1 0 386.304 2.712 20 0 GFADRO COc1ccc(C(=O)N2CCC(C)([NH+]3CCOCC3)CC2)cc1Br ZINC000529912050 564856243 /nfs/dbraw/zinc/85/62/43/564856243.db2.gz FVMPWWYRRGJHRP-UHFFFAOYSA-N 1 0 397.313 2.785 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)C(=O)N[C@@H]2CCSc3ccc(Cl)cc32)CC[N@@H+]1C ZINC000557208710 564858520 /nfs/dbraw/zinc/85/85/20/564858520.db2.gz BZMUXRGCHVWGSW-OSAQELSMSA-N 1 0 381.929 2.592 20 0 GFADRO COCCNS(=O)(=O)c1ccc(C[NH2+][C@@H](C)CCc2ccsc2)cc1 ZINC000462795410 564858998 /nfs/dbraw/zinc/85/89/98/564858998.db2.gz BMABHYVGUIIUQY-HNNXBMFYSA-N 1 0 382.551 2.784 20 0 GFADRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)C2(c3cccc(Br)c3)CC(=O)C2)C1 ZINC000582754509 564859785 /nfs/dbraw/zinc/85/97/85/564859785.db2.gz TUMBIHWNGKRANL-AWEZNQCLSA-N 1 0 393.325 2.896 20 0 GFADRO Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000530030378 564860775 /nfs/dbraw/zinc/86/07/75/564860775.db2.gz YBGLWMOTSVUYPB-LBPRGKRZSA-N 1 0 378.826 2.997 20 0 GFADRO Cc1cccc(C(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)c1I ZINC000462880582 564861599 /nfs/dbraw/zinc/86/15/99/564861599.db2.gz YOHYIJCSJPQPQI-UONOGXRCSA-N 1 0 384.261 2.718 20 0 GFADRO Cc1cc(OC[C@@H](O)C[NH2+]C[C@@H]2CCCS2(=O)=O)c(C(C)C)cc1Cl ZINC000582781060 564861720 /nfs/dbraw/zinc/86/17/20/564861720.db2.gz QZJGLSDOMOCNFJ-GJZGRUSLSA-N 1 0 389.945 2.678 20 0 GFADRO CCN(CC)c1nc2sc(C(=O)NC[C@]3(COC)CCC[NH2+]3)cc2s1 ZINC000582784382 564861798 /nfs/dbraw/zinc/86/17/98/564861798.db2.gz VGUVOMNUULNMLJ-KRWDZBQOSA-N 1 0 382.555 2.702 20 0 GFADRO CCO[C@H]1C[C@@](CO)([NH2+]Cc2cccc(I)c2)C1(C)C ZINC000582908558 564866920 /nfs/dbraw/zinc/86/69/20/564866920.db2.gz WBSAGQLJVNZLIK-HOCLYGCPSA-N 1 0 389.277 2.947 20 0 GFADRO C[C@@H]1C[N@H+](C)C[C@H]1c1nc(Cc2cc3c(cc2Br)OCO3)no1 ZINC000463047414 564867630 /nfs/dbraw/zinc/86/76/30/564867630.db2.gz DXTZGGAPEZZSNE-MWLCHTKSSA-N 1 0 380.242 2.817 20 0 GFADRO C[N@@H+]1CC[C@H]2CCN(C(=O)NCCc3cc(Br)ccc3F)[C@@H]2C1 ZINC000497480653 564868521 /nfs/dbraw/zinc/86/85/21/564868521.db2.gz DWGINFTXSKMIRD-BLLLJJGKSA-N 1 0 384.293 2.866 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000463063773 564868604 /nfs/dbraw/zinc/86/86/04/564868604.db2.gz WZIRERHPGYHCSE-GOSISDBHSA-N 1 0 389.297 2.769 20 0 GFADRO Cc1ccc(Br)c(S(=O)(=O)NCC[NH+]2CCC(C)CC2)c1 ZINC000497523424 564870036 /nfs/dbraw/zinc/87/00/36/564870036.db2.gz RUESZBUDKYIEGJ-UHFFFAOYSA-N 1 0 375.332 2.768 20 0 GFADRO O=C(NCC[N@@H+]1CCCOCC1)Nc1ccc(Cl)cc1OCC(F)F ZINC000497537276 564870058 /nfs/dbraw/zinc/87/00/58/564870058.db2.gz KJRLXCVNKFJSQO-UHFFFAOYSA-N 1 0 377.819 2.828 20 0 GFADRO Cc1nc(NC(=O)[C@@H]2C[C@H]2C2CC[NH2+]CC2)ccc1I ZINC000463136802 564871028 /nfs/dbraw/zinc/87/10/28/564871028.db2.gz GWBPMIYCAVTHEB-NWDGAFQWSA-N 1 0 385.249 2.569 20 0 GFADRO CC[N@@H+]1CCCC[C@@H]1CNS(=O)(=O)c1cc(C)ccc1Br ZINC000497543122 564871312 /nfs/dbraw/zinc/87/13/12/564871312.db2.gz UYYWDMGXKYCCBR-CYBMUJFWSA-N 1 0 375.332 2.910 20 0 GFADRO O=S(=O)(c1c(Cl)cc(F)cc1Br)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000497619101 564872249 /nfs/dbraw/zinc/87/22/49/564872249.db2.gz WRHMNCDSDQNJKA-JTQLQIEISA-N 1 0 397.697 2.757 20 0 GFADRO Cc1cc(NC(=O)N2CCC[N@@H+]([C@@H](C)CO)CC2)c(F)cc1Br ZINC000497643419 564872763 /nfs/dbraw/zinc/87/27/63/564872763.db2.gz RBVKDJJKNWXEPC-LBPRGKRZSA-N 1 0 388.281 2.817 20 0 GFADRO COc1ccc(NC(=O)N2C[C@@H]([NH+](C)C)[C@@H](SC)C2)c(Br)c1 ZINC000497657004 564872864 /nfs/dbraw/zinc/87/28/64/564872864.db2.gz KOUYKVDXKYRLOF-KGLIPLIRSA-N 1 0 388.331 2.967 20 0 GFADRO COCCOc1c(Cl)cccc1NC(=O)N1C[C@H](SC)[C@@H]([NH+](C)C)C1 ZINC000497653304 564873130 /nfs/dbraw/zinc/87/31/30/564873130.db2.gz WBNUCLXEBQFBLS-GJZGRUSLSA-N 1 0 387.933 2.875 20 0 GFADRO CC(C)[N@H+](CC(=O)N(C)CCOc1ccc(Br)cc1)[C@H]1CCOC1 ZINC000463233830 564873537 /nfs/dbraw/zinc/87/35/37/564873537.db2.gz PJAKREODCCDYAP-INIZCTEOSA-N 1 0 399.329 2.786 20 0 GFADRO OC[C@@H](C[NH2+]C1CCN(CC(F)F)CC1)Cc1ccccc1Br ZINC000463252397 564874109 /nfs/dbraw/zinc/87/41/09/564874109.db2.gz MEKXFZFXIQCDIK-CYBMUJFWSA-N 1 0 391.300 2.919 20 0 GFADRO C[C@@H](C(=O)NCC1([NH+]2CCSCC2)CCCCC1)N(C)CC(F)(F)F ZINC000497744077 564874968 /nfs/dbraw/zinc/87/49/68/564874968.db2.gz BPINFKCBKHBNHT-AWEZNQCLSA-N 1 0 381.508 2.737 20 0 GFADRO COC(=O)[C@@H](Sc1nnnn1CC[NH+](C)C)c1ccc(Cl)cc1Cl ZINC000463266470 564874987 /nfs/dbraw/zinc/87/49/87/564874987.db2.gz NRXBGZHYTAMXLG-LBPRGKRZSA-N 1 0 390.296 2.548 20 0 GFADRO CC(C)[N@H+](C)C[C@H](C)NC(=O)C(=O)Nc1cccc(Br)c1Cl ZINC000583114591 564876655 /nfs/dbraw/zinc/87/66/55/564876655.db2.gz SSSBQHSYOGBXGP-JTQLQIEISA-N 1 0 390.709 2.886 20 0 GFADRO NC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1Cc1nc(-c2cccc(Br)c2)c[nH]1 ZINC000530341945 564876879 /nfs/dbraw/zinc/87/68/79/564876879.db2.gz KNBQOWUIIJSFNO-IFIJOSMWSA-N 1 0 389.297 2.925 20 0 GFADRO C[C@@H](CNS(=O)(=O)Cc1ccccc1Br)[N@@H+]1CCC[C@H](C)C1 ZINC000557797763 564876882 /nfs/dbraw/zinc/87/68/82/564876882.db2.gz ZHOAWRAVSAEBNZ-KBPBESRZSA-N 1 0 389.359 2.989 20 0 GFADRO C[C@@H]([NH2+]C[C@H](O)C(F)(F)F)c1ccc(Br)cc1OCCCO ZINC000463362981 564877477 /nfs/dbraw/zinc/87/74/77/564877477.db2.gz XTVCMNGVAFXRCI-RNCFNFMXSA-N 1 0 386.208 2.784 20 0 GFADRO CC1(C)CCC[NH2+][C@H]1CNC(=O)c1cc(=O)c2cc(Br)ccc2[nH]1 ZINC000583145821 564878291 /nfs/dbraw/zinc/87/82/91/564878291.db2.gz YXKZTVCBUMZNNM-INIZCTEOSA-N 1 0 392.297 2.799 20 0 GFADRO OCC1(C[NH2+][C@H](Cc2ccccn2)c2ccc(Br)cc2)COC1 ZINC000530394369 564879134 /nfs/dbraw/zinc/87/91/34/564879134.db2.gz ULFLEIXVONZEIN-QGZVFWFLSA-N 1 0 377.282 2.726 20 0 GFADRO CN(CCC[NH+](C)C)C(=O)N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000530439393 564882835 /nfs/dbraw/zinc/88/28/35/564882835.db2.gz VPCSUCZQVZWGCS-CQSZACIVSA-N 1 0 387.311 2.692 20 0 GFADRO Cc1nc(S(=O)(=O)N2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)sc1C ZINC000530484715 564884277 /nfs/dbraw/zinc/88/42/77/564884277.db2.gz PIQVTSAJJHEQGX-CALCHBBNSA-N 1 0 377.535 2.512 20 0 GFADRO CC[N@@H+]1CCC[C@@H](CNC(=O)c2csc(I)c2)C1 ZINC000498052909 564887467 /nfs/dbraw/zinc/88/74/67/564887467.db2.gz BSXIDQDKIQTKRW-JTQLQIEISA-N 1 0 378.279 2.814 20 0 GFADRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)Cc1ccc(I)cc1 ZINC000558010938 564887788 /nfs/dbraw/zinc/88/77/88/564887788.db2.gz ADWJFVUQIRSWLB-CJNGLKHVSA-N 1 0 398.288 2.919 20 0 GFADRO C[NH2+][C@@H]1CCCN(C(=O)NCCNc2ncc(C(F)(F)F)cc2Cl)C1 ZINC000583370840 564888282 /nfs/dbraw/zinc/88/82/82/564888282.db2.gz WERKKZXLLJENQH-LLVKDONJSA-N 1 0 379.814 2.559 20 0 GFADRO COc1nc(C)c(Br)cc1C(=O)N1CC[N@@H+]([C@@H]2C[C@H]2C)C[C@H](C)C1 ZINC000558020471 564888992 /nfs/dbraw/zinc/88/89/92/564888992.db2.gz AZFRJMYAFMCSMX-HWWQOWPSSA-N 1 0 396.329 2.963 20 0 GFADRO Cc1cc(NC(=O)C[N@H+]2CC[C@@H](Cc3cnn(C)c3)C2)ccc1Br ZINC000530627276 564889010 /nfs/dbraw/zinc/88/90/10/564889010.db2.gz NVPKVEDDILZTGK-AWEZNQCLSA-N 1 0 391.313 2.994 20 0 GFADRO C[N@@H+]1CC[C@@]2(CCN(C(=O)c3ccc(-n4cc(Br)cn4)cc3)C2)C1 ZINC000558031358 564889029 /nfs/dbraw/zinc/88/90/29/564889029.db2.gz MVMUVNIQGASYOC-GOSISDBHSA-N 1 0 389.297 2.803 20 0 GFADRO C[C@]1([NH3+])CCCC[C@@H]1C(=O)NC[C@@H](O)COc1cccc(Cl)c1Cl ZINC000498191247 564890926 /nfs/dbraw/zinc/89/09/26/564890926.db2.gz HACMAFMVUUGSIZ-QFSBIZTOSA-N 1 0 375.296 2.757 20 0 GFADRO C[C@@H](CNC(=O)N[C@H]1CC[N@@H+](C2CC2)C1)Oc1ccccc1Br ZINC000530659894 564891141 /nfs/dbraw/zinc/89/11/41/564891141.db2.gz PUEXJSLSXHPAOB-STQMWFEESA-N 1 0 382.302 2.752 20 0 GFADRO C[C@@H]1c2c(Cl)cc(Cl)cc2CCN1C(=O)C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000583434980 564891290 /nfs/dbraw/zinc/89/12/90/564891290.db2.gz WZWLOIFHHWBCMM-NEPJUHHUSA-N 1 0 384.307 2.636 20 0 GFADRO C[C@@H]1CC[C@H]([N@H+](CCO)C[C@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000583468954 564892985 /nfs/dbraw/zinc/89/29/85/564892985.db2.gz RFLJNXNJJGMCBU-KCXAZCMYSA-N 1 0 390.293 2.811 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)[C@H]1CS[C@@]2(C)CCC(=O)N12)c1ccc(Cl)cc1 ZINC000530829172 564896105 /nfs/dbraw/zinc/89/61/05/564896105.db2.gz BUZRJSZOMNZXDO-RKVPGOIHSA-N 1 0 381.929 2.513 20 0 GFADRO CCOCCOc1ccc(Br)cc1C[NH2+][C@H]1CCC[C@@H]1C(=O)NC ZINC000498358938 564896706 /nfs/dbraw/zinc/89/67/06/564896706.db2.gz KVJXUVZNNVSYHS-HOTGVXAUSA-N 1 0 399.329 2.869 20 0 GFADRO CCOc1cc(C[NH2+][C@@H]2CCC[C@@H]2C(=O)NC)cc(Br)c1OC ZINC000498364760 564896946 /nfs/dbraw/zinc/89/69/46/564896946.db2.gz QTNQSBPAORUWRE-GXTWGEPZSA-N 1 0 385.302 2.861 20 0 GFADRO CC[NH+](CC)[C@H](CNC(=O)[C@@H]1CS[C@]2(C)CCC(=O)N12)c1ccsc1 ZINC000498350161 564897071 /nfs/dbraw/zinc/89/70/71/564897071.db2.gz RNXIPIUCVNZBDX-RVKKMQEKSA-N 1 0 381.567 2.701 20 0 GFADRO O=C1NC(=O)C2(CCC([NH2+][C@H]3CSc4ccc(Br)cc43)CC2)N1 ZINC000583624032 564899710 /nfs/dbraw/zinc/89/97/10/564899710.db2.gz JLMNUWGXHKENJA-YWFMTQBDSA-N 1 0 396.310 2.706 20 0 GFADRO COC(=O)[C@@H](Cc1ccccc1)[C@@H](C)[NH2+]Cc1c(Br)cnn1C ZINC000583646309 564901801 /nfs/dbraw/zinc/90/18/01/564901801.db2.gz RUNJBAAZPKFZDH-OCCSQVGLSA-N 1 0 380.286 2.693 20 0 GFADRO [NH3+]C[C@H]1CCCN(C(=O)C(=O)Nc2cccnc2-c2ccc(Cl)s2)C1 ZINC000583681540 564902477 /nfs/dbraw/zinc/90/24/77/564902477.db2.gz VAHDOPPHQAKKAJ-LLVKDONJSA-N 1 0 378.885 2.599 20 0 GFADRO CC[N@@H+]1C[C@@H](C)N(C(=O)Cc2cccc(I)c2)C[C@H]1C ZINC000498571187 564902835 /nfs/dbraw/zinc/90/28/35/564902835.db2.gz JOBHGHJHWLTBMT-CHWSQXEVSA-N 1 0 386.277 2.775 20 0 GFADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CNC(=O)c1ccc(Cl)cc1Cl ZINC000531197643 564903583 /nfs/dbraw/zinc/90/35/83/564903583.db2.gz LIQNILHWVHKDMV-KGLIPLIRSA-N 1 0 384.307 2.808 20 0 GFADRO CSC1(CNS(=O)(=O)c2ccc(OCC(C)C)cc2)CC[NH+](C)CC1 ZINC000558484018 564903779 /nfs/dbraw/zinc/90/37/79/564903779.db2.gz PRXITTLWTWBSHH-UHFFFAOYSA-N 1 0 386.583 2.827 20 0 GFADRO CN(C)c1ncc(Br)cc1C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000464337551 564903881 /nfs/dbraw/zinc/90/38/81/564903881.db2.gz QBYXJFWSMBVHCD-HNNXBMFYSA-N 1 0 395.345 2.904 20 0 GFADRO CC(C)[C@@H](NC(=O)c1ccccc1Br)C(=O)N[C@@H](C)CC[NH+](C)C ZINC000498651515 564905103 /nfs/dbraw/zinc/90/51/03/564905103.db2.gz JODWONCKJIDFFG-XJKSGUPXSA-N 1 0 398.345 2.660 20 0 GFADRO CN(CCOc1ccc(Br)cc1)C(=O)CSCC[NH+](C)C ZINC000531271817 564905234 /nfs/dbraw/zinc/90/52/34/564905234.db2.gz CJWANYDLURZFCQ-UHFFFAOYSA-N 1 0 375.332 2.581 20 0 GFADRO C[C@H]1CC[N@H+](C)CCN1C(=O)[C@H]1CCN(c2cc(Cl)ccc2Cl)C1=O ZINC000498710981 564906006 /nfs/dbraw/zinc/90/60/06/564906006.db2.gz RTAWJYQNDJWQAS-GXTWGEPZSA-N 1 0 384.307 2.899 20 0 GFADRO CC[NH+](CC)CCCNC(=O)C(=O)N[C@H]1CCSc2ccc(Cl)cc21 ZINC000583769812 564906948 /nfs/dbraw/zinc/90/69/48/564906948.db2.gz WOGGTBBLQAVVSV-HNNXBMFYSA-N 1 0 383.945 2.841 20 0 GFADRO O=C(NCC[C@H]1CCC[NH2+]C1)N[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000583921122 564912634 /nfs/dbraw/zinc/91/26/34/564912634.db2.gz SHBCSFJWLKKUFK-ZBFHGGJFSA-N 1 0 395.345 2.717 20 0 GFADRO CNC(=O)[C@@H](C)C[N@H+](C)[C@@H]1CCCN(c2ccc(Br)c(C)c2)C1=O ZINC000464686673 564915977 /nfs/dbraw/zinc/91/59/77/564915977.db2.gz IKBKOHLLCJJPIR-XJKSGUPXSA-N 1 0 396.329 2.567 20 0 GFADRO COc1cc(Br)ccc1[C@H](C)NC(=O)COC1CCC([NH3+])CC1 ZINC000583993054 564916232 /nfs/dbraw/zinc/91/62/32/564916232.db2.gz VBIKYMHMFVXCER-XGNXJENSSA-N 1 0 385.302 2.921 20 0 GFADRO COCCOc1ccc(Br)cc1NC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000584040985 564918048 /nfs/dbraw/zinc/91/80/48/564918048.db2.gz KDXRMWYGPBNXPY-OKILXGFUSA-N 1 0 398.301 2.833 20 0 GFADRO Cc1nccn1CC[N@H+]1C[C@@H](c2ccc(Br)cc2)[C@H](C(=O)[O-])C1 ZINC000584058737 564919082 /nfs/dbraw/zinc/91/90/82/564919082.db2.gz LIBRGRXHCFPNGJ-JKSUJKDBSA-N 1 0 378.270 2.754 20 0 GFADRO C[NH+]1CCC(CCO)(NC(=O)[C@@H]2C[C@H]2c2ccc(Br)cc2)CC1 ZINC000499123513 564919445 /nfs/dbraw/zinc/91/94/45/564919445.db2.gz RWLWSOHVHSNFQJ-JKSUJKDBSA-N 1 0 381.314 2.516 20 0 GFADRO C[NH+](C)C[C@H]1CCCN1C(=O)c1nn(-c2ccc(F)cc2)cc1Br ZINC000464930380 564920279 /nfs/dbraw/zinc/92/02/79/564920279.db2.gz CLCWIFCXAISMBA-CQSZACIVSA-N 1 0 395.276 2.940 20 0 GFADRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)Nc1ccc(I)cc1F ZINC000584124372 564922493 /nfs/dbraw/zinc/92/24/93/564922493.db2.gz CQZKEELDXPMLIG-KWQFWETISA-N 1 0 377.201 2.550 20 0 GFADRO C[N@@H+]1CCC[C@@]2(CCN(S(=O)(=O)c3cc(Br)ccc3F)C2)C1 ZINC000559132400 564922821 /nfs/dbraw/zinc/92/28/21/564922821.db2.gz PGANDNSAHJAVKF-OAHLLOKOSA-N 1 0 391.306 2.695 20 0 GFADRO O=C(c1cc(I)ccc1F)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000531888902 564924294 /nfs/dbraw/zinc/92/42/94/564924294.db2.gz OGFAEKAYBMCZCC-GFCCVEGCSA-N 1 0 388.224 2.741 20 0 GFADRO CC(C)[NH2+]C1(CO)CCN(CCOc2cc(F)cc(Br)c2)CC1 ZINC000584180669 564924343 /nfs/dbraw/zinc/92/43/43/564924343.db2.gz ZDWUOZZJAGQDLQ-UHFFFAOYSA-N 1 0 389.309 2.792 20 0 GFADRO CCN(CC)C(=O)C[C@@H](C)[NH2+]C[C@@H](O)COc1cccc(Cl)c1Cl ZINC000531951016 564924564 /nfs/dbraw/zinc/92/45/64/564924564.db2.gz ZFJYWBSZGIOGOC-CHWSQXEVSA-N 1 0 377.312 2.970 20 0 GFADRO C[C@H]1CN(CCC[NH2+]Cc2cn3ccc(Br)cc3n2)C[C@H](C)O1 ZINC000584260980 564927939 /nfs/dbraw/zinc/92/79/39/564927939.db2.gz GDSCTHOTBWYMAO-KBPBESRZSA-N 1 0 381.318 2.686 20 0 GFADRO C[NH+](C)CC1CCC(NC(=O)C(=O)NCc2ccc(Cl)cc2Cl)CC1 ZINC000559348690 564930317 /nfs/dbraw/zinc/93/03/17/564930317.db2.gz SGXFPPOWVSTDPK-UHFFFAOYSA-N 1 0 386.323 2.846 20 0 GFADRO CC(C)[N@@H+]1CC[C@H](CNC(=O)c2cc(I)ccc2F)C1 ZINC000532144741 564930826 /nfs/dbraw/zinc/93/08/26/564930826.db2.gz XKRQRFWIHAXYDR-LLVKDONJSA-N 1 0 390.240 2.890 20 0 GFADRO CC[C@H](CSC)N(C)C(=O)C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000559400809 564932165 /nfs/dbraw/zinc/93/21/65/564932165.db2.gz RRQWGFRWMJRHAO-CABCVRRESA-N 1 0 383.583 2.601 20 0 GFADRO CC(C)[NH+]1CCC(NC(=O)C(=O)N(C)Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000559387623 564932189 /nfs/dbraw/zinc/93/21/89/564932189.db2.gz ITLBUNDKXDOIBW-UHFFFAOYSA-N 1 0 386.323 2.941 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)N1CCC([C@H](O)C(F)(F)F)CC1)c1ccsc1 ZINC000532214577 564932512 /nfs/dbraw/zinc/93/25/12/564932512.db2.gz SDKZEHFDOPBNAZ-KGLIPLIRSA-N 1 0 379.448 2.696 20 0 GFADRO C[C@H](CNC(=O)NC[C@H](C)[N@H+](C)C1CC1)Oc1cccc(Br)c1 ZINC000465894738 564933252 /nfs/dbraw/zinc/93/32/52/564933252.db2.gz SLWNVIGGIVQDMZ-QWHCGFSZSA-N 1 0 384.318 2.998 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)N[C@@H]2CCN(c3ccc(Br)cc3)C2)CC[N@@H+]1C ZINC000465929109 564933732 /nfs/dbraw/zinc/93/37/32/564933732.db2.gz HGOVUKWIODWYIC-FVQBIDKESA-N 1 0 395.345 2.810 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH2+]CCc1ncn(C)n1 ZINC000532289524 564934103 /nfs/dbraw/zinc/93/41/03/564934103.db2.gz VYAUQZXVFUCXMJ-UHFFFAOYSA-N 1 0 389.301 2.712 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CNC(=O)c1ccc2c[nH+]cn2c1 ZINC000559497655 564934208 /nfs/dbraw/zinc/93/42/08/564934208.db2.gz HDTYINDDEVSQCE-UHFFFAOYSA-N 1 0 387.237 2.774 20 0 GFADRO C[C@H]([NH2+]CCNS(=O)(=O)c1cccc(Cl)c1)c1ccc2c(c1)COC2 ZINC000532468701 564939021 /nfs/dbraw/zinc/93/90/21/564939021.db2.gz FCEZKHLDPHLKGV-ZDUSSCGKSA-N 1 0 380.897 2.999 20 0 GFADRO CC[C@@H]([NH2+]CCNS(=O)(=O)c1ccc(Cl)cc1F)C1CCOCC1 ZINC000559783953 564939619 /nfs/dbraw/zinc/93/96/19/564939619.db2.gz BPRZLJMDPJUHRP-OAHLLOKOSA-N 1 0 378.897 2.552 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NCc2c(Cl)cccc2Cl)[C@@H](C)C1 ZINC000559800162 564940717 /nfs/dbraw/zinc/94/07/17/564940717.db2.gz DLVYMTOLWODMLL-LRDDRELGSA-N 1 0 386.323 2.798 20 0 GFADRO CNS(=O)(=O)CCC[NH+]1CCC(F)(c2ccccc2C(F)(F)F)CC1 ZINC000499940137 564941190 /nfs/dbraw/zinc/94/11/90/564941190.db2.gz QANYJIPBUQYEFQ-UHFFFAOYSA-N 1 0 382.423 2.905 20 0 GFADRO C[C@H](CNC(=O)C(=O)Nc1ccc(-c2ccc(Cl)s2)nc1)C[NH+](C)C ZINC000559972609 564943342 /nfs/dbraw/zinc/94/33/42/564943342.db2.gz MXQPKUBQVNGAQI-LLVKDONJSA-N 1 0 380.901 2.716 20 0 GFADRO COc1ccc(C[NH2+][C@@H]2CCO[C@H](c3nccn3C)C2)c(Br)c1O ZINC000560127758 564950896 /nfs/dbraw/zinc/95/08/96/564950896.db2.gz WSBNKQDHLWXAKX-OCCSQVGLSA-N 1 0 396.285 2.907 20 0 GFADRO COC(C)(C)C[N@H+](C)[C@H](C)C(=O)Nc1ccc(I)cc1 ZINC000533019981 564951862 /nfs/dbraw/zinc/95/18/62/564951862.db2.gz CNOZWBSFYZQITI-LLVKDONJSA-N 1 0 390.265 2.975 20 0 GFADRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1cc(=O)[nH]c2ccc(Br)cc21 ZINC000467035354 564953675 /nfs/dbraw/zinc/95/36/75/564953675.db2.gz RDMMUQVPWOSQRD-QLJPJBMISA-N 1 0 390.281 2.915 20 0 GFADRO COCC[N@@H+]1CCC[C@H]1CNCc1cn(-c2cccc(Cl)c2Cl)nn1 ZINC000533165870 564956433 /nfs/dbraw/zinc/95/64/33/564956433.db2.gz YVCYHUVAAOCETG-AWEZNQCLSA-N 1 0 384.311 2.775 20 0 GFADRO Cc1cc(Br)c(C[NH2+][C@@H]2CCCN(Cc3nccn3C)C2=O)s1 ZINC000560359852 564958864 /nfs/dbraw/zinc/95/88/64/564958864.db2.gz JJAKSISMGTZDEN-CYBMUJFWSA-N 1 0 397.342 2.833 20 0 GFADRO COCCN(CC[NH+](C)C)C(=O)[C@H]1C[C@@]12CCc1cc(Br)ccc12 ZINC000467248918 564959245 /nfs/dbraw/zinc/95/92/45/564959245.db2.gz BMKBREZYQIHHTA-IEBWSBKVSA-N 1 0 395.341 2.690 20 0 GFADRO C[N@H+](CC(=O)N1CCOC[C@H]1c1nc2ccccc2s1)[C@@H]1CCSC1 ZINC000500673907 564959695 /nfs/dbraw/zinc/95/96/95/564959695.db2.gz AFWCWXVEVWLUFB-HIFRSBDPSA-N 1 0 377.535 2.634 20 0 GFADRO C[NH+](C)[C@@H]1CCN(c2ccc(NC(=O)c3cc(Br)c[nH]3)nc2)C1 ZINC000533313033 564960215 /nfs/dbraw/zinc/96/02/15/564960215.db2.gz CBJDYSFBAWMLCV-CYBMUJFWSA-N 1 0 378.274 2.565 20 0 GFADRO CC(C)(C)c1ccc(S(=O)(=O)NCC2([NH+]3CCCC3)CCOCC2)s1 ZINC000533359725 564961068 /nfs/dbraw/zinc/96/10/68/564961068.db2.gz QMSKRVUBCQJNQB-UHFFFAOYSA-N 1 0 386.583 2.969 20 0 GFADRO CCO[C@@H]1C[C@H]([NH2+]CCCNS(=O)(=O)c2ccccc2Cl)C12CCC2 ZINC000467414064 564962279 /nfs/dbraw/zinc/96/22/79/564962279.db2.gz QMPXDVOGUNYQDU-DLBZAZTESA-N 1 0 386.945 2.946 20 0 GFADRO CCS(=O)(=O)c1cccc(C[NH2+][C@@H](C)c2ccc(S(C)(=O)=O)cc2)c1 ZINC000500985136 564967034 /nfs/dbraw/zinc/96/70/34/564967034.db2.gz XOPZANZVCWUDLR-AWEZNQCLSA-N 1 0 381.519 2.735 20 0 GFADRO COC(=O)c1csc([C@H](C)[NH2+]CCNS(=O)(=O)c2ccc(C)s2)c1 ZINC000560543831 564967312 /nfs/dbraw/zinc/96/73/12/564967312.db2.gz NAQXVGOMPRIMOG-NSHDSACASA-N 1 0 388.536 2.534 20 0 GFADRO NC(=O)[C@H]([NH2+][C@@H]1CCN(c2cccc(Br)c2)C1)c1ccc(F)cc1 ZINC000467642040 564969587 /nfs/dbraw/zinc/96/95/87/564969587.db2.gz WLVZOEHNCLMSER-NVXWUHKLSA-N 1 0 392.272 2.983 20 0 GFADRO CC[C@]1(C(=O)NC[C@@H]2CCN(c3cccc(Br)c3)C2)CCC[NH2+]1 ZINC000467692159 564970064 /nfs/dbraw/zinc/97/00/64/564970064.db2.gz RMZSNFKOQLFZSB-KBXCAEBGSA-N 1 0 380.330 2.924 20 0 GFADRO COC1CC[NH+](C(C)(C)CNS(=O)(=O)c2cc(F)cc(Cl)c2)CC1 ZINC000533712277 564971078 /nfs/dbraw/zinc/97/10/78/564971078.db2.gz KTTISDXKTOZJBV-UHFFFAOYSA-N 1 0 378.897 2.647 20 0 GFADRO C[C@@H](CNC(=O)[C@@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1)C[NH+](C)C ZINC000560707281 564973240 /nfs/dbraw/zinc/97/32/40/564973240.db2.gz QBAIEHWBOURTLZ-LRDDRELGSA-N 1 0 386.323 2.912 20 0 GFADRO O=C(NCCNc1cc[nH+]cc1)N[C@H]1CCc2c1cccc2Br ZINC000533812585 564973605 /nfs/dbraw/zinc/97/36/05/564973605.db2.gz UZXCMCWSPISNEX-INIZCTEOSA-N 1 0 375.270 2.665 20 0 GFADRO O=C([C@@H]1C[N@@H+]2CCN1CCC2)N1CCC(c2cccc(Br)c2)CC1 ZINC000467850998 564974029 /nfs/dbraw/zinc/97/40/29/564974029.db2.gz LGSVBYOYMAUYFW-SFHVURJKSA-N 1 0 392.341 2.545 20 0 GFADRO C[C@H](C(=O)NCc1cn2cc(Br)ccc2n1)[NH+]1CCCCCC1 ZINC000467981593 564976184 /nfs/dbraw/zinc/97/61/84/564976184.db2.gz FPHDWFKSBFUCOF-CYBMUJFWSA-N 1 0 379.302 2.978 20 0 GFADRO COCCC[N@H+](C)CCNC(=O)c1cc(Br)cc2cccnc21 ZINC000533938202 564976208 /nfs/dbraw/zinc/97/62/08/564976208.db2.gz DHXSRCMPFJBACU-UHFFFAOYSA-N 1 0 380.286 2.695 20 0 GFADRO C[C@H](CC(F)(F)F)[NH2+][C@@H](C)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000468048202 564977487 /nfs/dbraw/zinc/97/74/87/564977487.db2.gz FRLFGWKRIAJMTF-OLZOCXBDSA-N 1 0 380.432 2.699 20 0 GFADRO CC[C@H](NC(=O)Nc1cnc(N2CC[NH2+]CC2)nc1)c1ccc(Cl)s1 ZINC000561052503 564982668 /nfs/dbraw/zinc/98/26/68/564982668.db2.gz RUELGWYVGPHODQ-LBPRGKRZSA-N 1 0 380.905 2.874 20 0 GFADRO COC(=O)[C@H](c1cccc(Br)c1)N(C)C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC000501646312 564984235 /nfs/dbraw/zinc/98/42/35/564984235.db2.gz KROQNVMLRYILBM-DCGLDWPTSA-N 1 0 397.313 2.994 20 0 GFADRO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)CNC(=O)c1ccc(Cl)c(Cl)c1 ZINC000468458219 564984494 /nfs/dbraw/zinc/98/44/94/564984494.db2.gz HVLYYGJUKDABHO-OAHLLOKOSA-N 1 0 386.323 2.960 20 0 GFADRO CC(C)C[C@@H](C[NH3+])NC(=O)NCCNc1ncc(C(F)(F)F)cc1Cl ZINC000561143091 564985609 /nfs/dbraw/zinc/98/56/09/564985609.db2.gz BQEIGSPIAABKFG-NSHDSACASA-N 1 0 381.830 2.838 20 0 GFADRO C[NH+]1CCN(c2cccc(C(=O)NCc3ccc(Br)s3)n2)CC1 ZINC000502059722 564991067 /nfs/dbraw/zinc/99/10/67/564991067.db2.gz HHMIZNFZFCMXIC-UHFFFAOYSA-N 1 0 395.326 2.587 20 0 GFADRO C[N@@H+]1CCC[C@H](CNC(=O)N[C@H](CO)CC(F)(F)F)[C@@H]1c1cccs1 ZINC000534578584 564992229 /nfs/dbraw/zinc/99/22/29/564992229.db2.gz JROQIHOFRKAONI-MBNYWOFBSA-N 1 0 379.448 2.744 20 0 GFADRO C[NH+]1CCN(Cc2ccc(NC(=O)c3ncsc3Br)cc2)CC1 ZINC000561369509 564993141 /nfs/dbraw/zinc/99/31/41/564993141.db2.gz QNVBAWUTBBEWTQ-UHFFFAOYSA-N 1 0 395.326 2.905 20 0 GFADRO COC(=O)c1csc(S(=O)(=O)NCC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000502191577 564993823 /nfs/dbraw/zinc/99/38/23/564993823.db2.gz AQGOXPMOSXYSBQ-BETUJISGSA-N 1 0 388.555 2.570 20 0 GFADRO C[NH+](C)CC1(NS(=O)(=O)c2cc(Br)cc3cccnc32)CCC1 ZINC000561543505 565000170 /nfs/dbraw/zinc/00/01/70/565000170.db2.gz VMQPDXJIDQDVNH-UHFFFAOYSA-N 1 0 398.326 2.760 20 0 GFADRO CC(C)C[N@@H+]1CCCC[C@@H]1CNS(=O)(=O)c1cccnc1C(F)(F)F ZINC000561539793 565000319 /nfs/dbraw/zinc/00/03/19/565000319.db2.gz PZGGWBOKDXYITA-CYBMUJFWSA-N 1 0 379.448 2.889 20 0 GFADRO CC[NH+](CC)[C@H](C)CNS(=O)(=O)c1cc(Cl)ccc1O[C@H](C)COC ZINC000469006284 565002587 /nfs/dbraw/zinc/00/25/87/565002587.db2.gz PTMPUZIAXCEIND-ZIAGYGMSSA-N 1 0 392.949 2.762 20 0 GFADRO CC[N@@H+]1C[C@@H](C)N(C(=O)Nc2ccc(NS(C)(=O)=O)c(Cl)c2)C[C@@H]1C ZINC000535038004 565003323 /nfs/dbraw/zinc/00/33/23/565003323.db2.gz BZYUENIMWDHCQB-NWDGAFQWSA-N 1 0 388.921 2.658 20 0 GFADRO CCC[NH+]1CCC(CNS(=O)(=O)c2cccc(OC(F)(F)F)c2)CC1 ZINC000502737403 565004575 /nfs/dbraw/zinc/00/45/75/565004575.db2.gz QCYBECAVXSAEOC-UHFFFAOYSA-N 1 0 380.432 2.986 20 0 GFADRO CS(=O)(=O)[C@@H]1CCC[N@H+](C[C@@H](O)Cc2ccccc2C(F)(F)F)CC1 ZINC000502825916 565006015 /nfs/dbraw/zinc/00/60/15/565006015.db2.gz KJJNHTZOUIUODD-LSDHHAIUSA-N 1 0 379.444 2.508 20 0 GFADRO O=C(NCCOc1ccc(Br)cc1)N1CC[NH+](C2CCC2)CC1 ZINC000502810849 565006086 /nfs/dbraw/zinc/00/60/86/565006086.db2.gz MTDZSXZOAJUVPP-UHFFFAOYSA-N 1 0 382.302 2.708 20 0 GFADRO C[C@@H]1C[C@@H]1[N@@H+]1CCN(C(=O)c2cc3c(c(Br)c2)OCO3)C[C@@H](C)C1 ZINC000561760465 565008061 /nfs/dbraw/zinc/00/80/61/565008061.db2.gz GVCHTCQTPMOGMP-ZOWXZIJZSA-N 1 0 395.297 2.980 20 0 GFADRO C[C@H](CC[NH+](C)C)NC(=O)N[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000502946257 565009301 /nfs/dbraw/zinc/00/93/01/565009301.db2.gz LBGHCJVPCBDYTO-HIFRSBDPSA-N 1 0 383.334 2.667 20 0 GFADRO Cc1ccc(OC[C@H](O)C[N@H+](C)CCn2cc(Br)cn2)c(C)c1 ZINC000561796859 565009851 /nfs/dbraw/zinc/00/98/51/565009851.db2.gz GAUQGNKPNOTXPD-MRXNPFEDSA-N 1 0 382.302 2.634 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)C(=O)N(C)Cc2ccc(Cl)c(Cl)c2)C[N@@H+]1C1CC1 ZINC000561886387 565011993 /nfs/dbraw/zinc/01/19/93/565011993.db2.gz SWEBFDQOAVTPFA-YPMHNXCESA-N 1 0 384.307 2.693 20 0 GFADRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(S(C)(=O)=O)s2)[C@H]1Oc1ccccc1 ZINC000469303429 565013354 /nfs/dbraw/zinc/01/33/54/565013354.db2.gz XUCHPJPHMUYICW-JFIYKMOQSA-N 1 0 381.519 2.866 20 0 GFADRO CS[C@H]1CN(S(=O)(=O)c2ccc(F)cc2C(F)(F)F)C[C@H]1[NH+](C)C ZINC000503206585 565014072 /nfs/dbraw/zinc/01/40/72/565014072.db2.gz HKBCGRAJFQPVAS-NEPJUHHUSA-N 1 0 386.436 2.511 20 0 GFADRO CCOC(=O)CN(C)C(=O)C[N@H+](Cc1ccc(Br)cc1)C(C)C ZINC000562018396 565015628 /nfs/dbraw/zinc/01/56/28/565015628.db2.gz BRHVLCRCQXKSTD-UHFFFAOYSA-N 1 0 385.302 2.681 20 0 GFADRO O=C(NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)c1cc[nH]c(=O)c1Br ZINC000469423278 565017246 /nfs/dbraw/zinc/01/72/46/565017246.db2.gz YJNMKPSLCNVGLX-AWEZNQCLSA-N 1 0 390.281 2.944 20 0 GFADRO CSC[C@@H](CCO)NC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000562171664 565018440 /nfs/dbraw/zinc/01/84/40/565018440.db2.gz QAFYMDFNGQEYJJ-PBHICJAKSA-N 1 0 385.961 2.890 20 0 GFADRO CCC[N@H+](CC)C[C@@H](C)NC(=O)C(=O)Nc1cc(C)ccc1Br ZINC000562160483 565018710 /nfs/dbraw/zinc/01/87/10/565018710.db2.gz JPTSGPJTJRXTPU-CYBMUJFWSA-N 1 0 384.318 2.933 20 0 GFADRO C[NH+](C)CCN(Cc1cccs1)C(=O)c1cc[nH]c(=O)c1Br ZINC000469529098 565019478 /nfs/dbraw/zinc/01/94/78/565019478.db2.gz MJSPZVFPRKOPKW-UHFFFAOYSA-N 1 0 384.299 2.815 20 0 GFADRO O=C(NCc1n[nH]cc1Br)NC1CC[NH+](CC2CCCC2)CC1 ZINC000535731474 565019744 /nfs/dbraw/zinc/01/97/44/565019744.db2.gz QYWGQNUUHHXECA-UHFFFAOYSA-N 1 0 384.322 2.626 20 0 GFADRO CCCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@H+](C[C@H](O)CC(F)(F)F)C1 ZINC000469607816 565022237 /nfs/dbraw/zinc/02/22/37/565022237.db2.gz WGEIMAGKOAESFQ-NWDGAFQWSA-N 1 0 378.357 2.813 20 0 GFADRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1ccc(Br)c2c1OCCC2 ZINC000469615941 565022380 /nfs/dbraw/zinc/02/23/80/565022380.db2.gz UFUHQAIZVCJGJA-MEDUHNTESA-N 1 0 379.298 2.987 20 0 GFADRO CSc1nc(C2CC2)nc(C)c1C(=O)NCC1(SC)CC[NH+](C)CC1 ZINC000562346820 565025306 /nfs/dbraw/zinc/02/53/06/565025306.db2.gz XZHTVVRGGZLCHP-UHFFFAOYSA-N 1 0 380.583 2.942 20 0 GFADRO C[C@H](c1ccc(N2CCCS2(=O)=O)cc1)[N@H+](C)C[C@@H](O)CC(F)(F)F ZINC000469777718 565026846 /nfs/dbraw/zinc/02/68/46/565026846.db2.gz AMWDJEHIMDMNSJ-DOMZBBRYSA-N 1 0 380.432 2.533 20 0 GFADRO CC(C)[C@@H]1CN(C(=O)[C@H]2CC(=O)Nc3ccc(Br)cc32)CC[N@@H+]1C ZINC000469848938 565029462 /nfs/dbraw/zinc/02/94/62/565029462.db2.gz ASXJBJZDYRDNKQ-HOCLYGCPSA-N 1 0 394.313 2.674 20 0 GFADRO C[C@H](CNC(=O)N[C@@H](CO)c1ccc(Br)cc1)C[NH+]1CCCCC1 ZINC000504089730 565034869 /nfs/dbraw/zinc/03/48/69/565034869.db2.gz XEORGNXXRZRVCG-PBHICJAKSA-N 1 0 398.345 2.904 20 0 GFADRO CC(C)c1cc(Br)ccc1NC(=O)C(=O)NCC[N@@H+]1CC[C@@H](C)C1 ZINC000536363497 565035465 /nfs/dbraw/zinc/03/54/65/565035465.db2.gz QJPBJTSYLXDNDP-CYBMUJFWSA-N 1 0 396.329 2.969 20 0 GFADRO C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)c1cc(=O)[nH]c2ccc(Br)cc21 ZINC000536589692 565041751 /nfs/dbraw/zinc/04/17/51/565041751.db2.gz QKROQGNMSUCFOM-QWRGUYRKSA-N 1 0 378.270 2.868 20 0 GFADRO COCC[N@H+](C)CCCNC(=O)NCCc1nc2cc(Cl)ccc2s1 ZINC000504608673 565042136 /nfs/dbraw/zinc/04/21/36/565042136.db2.gz UMZUMFVSDBLWCU-UHFFFAOYSA-N 1 0 384.933 2.760 20 0 GFADRO COc1ccc(NC(=O)N2CCC[C@H](C[NH3+])C2)c(I)c1 ZINC000562763086 565042444 /nfs/dbraw/zinc/04/24/44/565042444.db2.gz LFUVRZGGOZJZSG-SNVBAGLBSA-N 1 0 389.237 2.502 20 0 GFADRO C[C@]1(CNC(=O)N[C@H]2CCOc3c(Br)cccc32)CCC[NH2+]C1 ZINC000562810728 565043742 /nfs/dbraw/zinc/04/37/42/565043742.db2.gz WWGKWJARQPPKGG-YOEHRIQHSA-N 1 0 382.302 2.962 20 0 GFADRO Cc1cc(S(=O)(=O)N2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)sc1C ZINC000536893840 565049177 /nfs/dbraw/zinc/04/91/77/565049177.db2.gz QBFGHUDXZPDGTO-HUUCEWRRSA-N 1 0 386.583 2.875 20 0 GFADRO CCOc1ccc(S(=O)(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)cc1Br ZINC000470605934 565050533 /nfs/dbraw/zinc/05/05/33/565050533.db2.gz KYHFMLPRVMQCLY-NEPJUHHUSA-N 1 0 391.331 2.609 20 0 GFADRO C[C@@H]1CN(C[C@H](O)C[NH2+]CCCOc2ccc(Cl)cc2Cl)C[C@@H](C)O1 ZINC000562985945 565050783 /nfs/dbraw/zinc/05/07/83/565050783.db2.gz KPYKXONFDUFFMC-IIAWOOMASA-N 1 0 391.339 2.822 20 0 GFADRO [NH3+][C@H]1CCC[C@@H](CNC(=O)c2cc(F)ccc2I)C1 ZINC000562980000 565050807 /nfs/dbraw/zinc/05/08/07/565050807.db2.gz ZZTICQKIKSKWRP-KOLCDFICSA-N 1 0 376.213 2.678 20 0 GFADRO C[C@@H]1CN(C[C@@H](O)C[NH2+]CCCOc2ccc(Cl)cc2Cl)C[C@H](C)O1 ZINC000562985947 565050835 /nfs/dbraw/zinc/05/08/35/565050835.db2.gz KPYKXONFDUFFMC-LZWOXQAQSA-N 1 0 391.339 2.822 20 0 GFADRO Cc1cccc(OC[C@@H](O)C[NH2+]Cc2ccc(S(C)(=O)=O)c(Cl)c2)c1 ZINC000563003714 565051363 /nfs/dbraw/zinc/05/13/63/565051363.db2.gz WHGQKUXREPLFGJ-HNNXBMFYSA-N 1 0 383.897 2.581 20 0 GFADRO CCS(=O)(=O)c1cccc(C[NH2+]C[C@H](O)COc2ccc(Cl)cc2)c1 ZINC000563003392 565051473 /nfs/dbraw/zinc/05/14/73/565051473.db2.gz RBHWKXBAHRTICI-INIZCTEOSA-N 1 0 383.897 2.663 20 0 GFADRO COc1ncc(C(=O)N[C@H]2C[N@H+](C)C[C@H]2c2ccccc2)cc1Br ZINC000563009101 565051899 /nfs/dbraw/zinc/05/18/99/565051899.db2.gz BOTSZTQWGJOMQE-HOCLYGCPSA-N 1 0 390.281 2.680 20 0 GFADRO C[N@@H+]1CCO[C@H]2CCN(c3cc(C(F)(F)F)c(Br)cn3)C[C@@H]21 ZINC000563035919 565052947 /nfs/dbraw/zinc/05/29/47/565052947.db2.gz IGXDTNMTFZGNFR-RYUDHWBXSA-N 1 0 380.208 2.772 20 0 GFADRO CCC[NH2+][C@H](C)C(=O)NCc1ccc(I)c(Cl)c1 ZINC000563096416 565055189 /nfs/dbraw/zinc/05/51/89/565055189.db2.gz FPYPBUDCZBFSMA-SECBINFHSA-N 1 0 380.657 2.949 20 0 GFADRO O=S(=O)(Cc1ccc(Br)cc1)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000470766377 565055587 /nfs/dbraw/zinc/05/55/87/565055587.db2.gz PBKSRSDQRGZDCR-HNNXBMFYSA-N 1 0 387.343 2.885 20 0 GFADRO [NH3+]C1(CNC(=O)c2cc(I)c[nH]2)C2CC3CC(C2)CC1C3 ZINC000563114039 565056017 /nfs/dbraw/zinc/05/60/17/565056017.db2.gz UTEHEZXDLCOGEI-UHFFFAOYSA-N 1 0 399.276 2.503 20 0 GFADRO O=S(=O)(c1ccc(F)cc1C(F)(F)F)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000563129191 565056447 /nfs/dbraw/zinc/05/64/47/565056447.db2.gz DOBGHCOIZXRZEN-NWDGAFQWSA-N 1 0 380.407 2.855 20 0 GFADRO OC[C@H](Cc1ccc(O)cc1)[NH2+]C[C@H](O)COc1ccc(Cl)cc1Cl ZINC000563142044 565057514 /nfs/dbraw/zinc/05/75/14/565057514.db2.gz KHZOSXCANIUFIT-HOCLYGCPSA-N 1 0 386.275 2.632 20 0 GFADRO CC(C)OCC[NH+]1CCN(Cc2cc(Br)c3c(c2)OCCO3)CC1 ZINC000537617547 565060459 /nfs/dbraw/zinc/06/04/59/565060459.db2.gz UKNDDEDELMKWLN-UHFFFAOYSA-N 1 0 399.329 2.763 20 0 GFADRO C[N@@H+]1CC[C@@H](CC(=O)N2CCO[C@@H](c3ccc(F)c(Br)c3)C2)C1 ZINC000635814556 565076372 /nfs/dbraw/zinc/07/63/72/565076372.db2.gz PUMHUGKRZQQNHQ-BLLLJJGKSA-N 1 0 385.277 2.830 20 0 GFADRO COCc1nc2n(n1)C[C@@H]([NH2+]Cc1c(Cl)cc(Cl)cc1N(C)C)CC2 ZINC000584380211 565077918 /nfs/dbraw/zinc/07/79/18/565077918.db2.gz QLURFMQWMKNPEW-LBPRGKRZSA-N 1 0 384.311 2.902 20 0 GFADRO CC(C)[N@H+](C)CC(=O)N(CCc1ccc(Cl)cc1)C[C@@H](O)C(F)(F)F ZINC000584441779 565079844 /nfs/dbraw/zinc/07/98/44/565079844.db2.gz DHTCLUGABKHBDX-OAHLLOKOSA-N 1 0 380.838 2.975 20 0 GFADRO O=C(NCC[N@@H+]1CCCOCC1)c1cc(Br)cc(N2CCCC2)c1 ZINC000613797094 565080632 /nfs/dbraw/zinc/08/06/32/565080632.db2.gz FWDLFAFTNWWHGS-UHFFFAOYSA-N 1 0 396.329 2.501 20 0 GFADRO O=S(=O)(N[C@@H]1CC[N@@H+](C2CCCCC2)C1)c1c[nH]c2nccc(Cl)c12 ZINC000657161381 565080868 /nfs/dbraw/zinc/08/08/68/565080868.db2.gz OXYPCDXLAKOIRK-GFCCVEGCSA-N 1 0 382.917 2.902 20 0 GFADRO C[C@@H](C(=O)N1CCN([C@@H](C)c2ccc(Br)cc2)CC1)C1C[NH2+]C1 ZINC000584527871 565085049 /nfs/dbraw/zinc/08/50/49/565085049.db2.gz MUVUKWHIPSCDLS-KGLIPLIRSA-N 1 0 380.330 2.510 20 0 GFADRO O=C(NCC12CCC[NH+]1CCC2)c1cn(-c2ccc(Br)cc2)cn1 ZINC000684849290 565085258 /nfs/dbraw/zinc/08/52/58/565085258.db2.gz NDDJGSDMOSSIHB-UHFFFAOYSA-N 1 0 389.297 2.993 20 0 GFADRO C[N@@H+]1CC[C@H](CC(=O)NC2CCN(Cc3cccc(Br)c3)CC2)C1 ZINC000636035824 565087096 /nfs/dbraw/zinc/08/70/96/565087096.db2.gz VRMFZQOQBMWSPY-MRXNPFEDSA-N 1 0 394.357 2.872 20 0 GFADRO CC(C)[C@H]1CN(C(=O)c2cc(Br)cc3c2OCCO3)CC[N@@H+]1C ZINC000613967817 565088239 /nfs/dbraw/zinc/08/82/39/565088239.db2.gz KPEOPWPXXQMXQK-CQSZACIVSA-N 1 0 383.286 2.633 20 0 GFADRO O=C(N[C@H]1C[C@@H]([NH+]2CCCC2)C1)c1cc(Br)c2c(c1)OCCO2 ZINC000636094905 565090018 /nfs/dbraw/zinc/09/00/18/565090018.db2.gz ACYNVCKPHMYLFV-BETUJISGSA-N 1 0 381.270 2.577 20 0 GFADRO CC(C)Oc1cc(C(=O)N2CCC[C@@](O)(C[NH+](C)C)C2)ccc1Br ZINC000614070088 565093854 /nfs/dbraw/zinc/09/38/54/565093854.db2.gz DDTZYGFJOQUHGH-GOSISDBHSA-N 1 0 399.329 2.765 20 0 GFADRO C[NH+](C)C[C@]1(O)CCCN(C(=O)c2c(Cl)cccc2Br)C1 ZINC000614071986 565093863 /nfs/dbraw/zinc/09/38/63/565093863.db2.gz XLFPGDHZSJDGTN-OAHLLOKOSA-N 1 0 375.694 2.631 20 0 GFADRO C[NH+](C)C[C@@]1(O)CCCN(C(=O)c2cc(Br)cc3cccnc32)C1 ZINC000614067015 565094187 /nfs/dbraw/zinc/09/41/87/565094187.db2.gz NZTHNPCOTBIHCR-SFHVURJKSA-N 1 0 392.297 2.526 20 0 GFADRO C[C@@H](CCNC(=O)C(=O)NCc1c(Cl)cccc1Cl)[NH+]1CCCCC1 ZINC000584736325 565094361 /nfs/dbraw/zinc/09/43/61/565094361.db2.gz ZZSDUQJNCLQMAM-ZDUSSCGKSA-N 1 0 386.323 2.990 20 0 GFADRO CC[NH+]1C[C@@H](C)N(C(=O)CCNC(=O)c2ccc(Br)cc2)[C@H](C)C1 ZINC000685074996 565095057 /nfs/dbraw/zinc/09/50/57/565095057.db2.gz AFGFOHZWBLRJBK-ZIAGYGMSSA-N 1 0 396.329 2.510 20 0 GFADRO CC1(C)[C@H]([NH2+]C[C@H](O)COc2cccc(Br)c2)[C@H]2CCCO[C@H]21 ZINC000584761887 565096224 /nfs/dbraw/zinc/09/62/24/565096224.db2.gz YKAJYCDTBKYEOE-RKTXRCNFSA-N 1 0 384.314 2.982 20 0 GFADRO Fc1ccc(OC(F)F)c(C[NH2+]C[C@]2(N3CCOCC3)CCSC2)c1 ZINC000657326538 565097813 /nfs/dbraw/zinc/09/78/13/565097813.db2.gz OEXCLYSZIMRSOX-QGZVFWFLSA-N 1 0 376.444 2.725 20 0 GFADRO CCCn1nccc1C[NH2+]CCCNC(=O)c1cccc(Br)c1 ZINC000657341474 565098403 /nfs/dbraw/zinc/09/84/03/565098403.db2.gz BSZHOTSSAOHZQV-UHFFFAOYSA-N 1 0 379.302 2.965 20 0 GFADRO Cc1cc(N2CC[C@H]([NH2+]Cc3cnn4c3CCC4)C2=O)ccc1Br ZINC000657438587 565101446 /nfs/dbraw/zinc/10/14/46/565101446.db2.gz ZPGXSMHPICZMKY-INIZCTEOSA-N 1 0 389.297 2.795 20 0 GFADRO CCS(=O)(=O)c1ccc(C[NH2+]Cc2ccc(O[C@H]3CCOC3)cc2)s1 ZINC000657452212 565102083 /nfs/dbraw/zinc/10/20/83/565102083.db2.gz AWQBHJRZLFTBNL-INIZCTEOSA-N 1 0 381.519 2.999 20 0 GFADRO Cc1ccc(C[C@H](CO)C[NH2+]Cc2cnn3c2CCC3)cc1Br ZINC000657484259 565102725 /nfs/dbraw/zinc/10/27/25/565102725.db2.gz RQCXFWTVCDFRPF-HNNXBMFYSA-N 1 0 378.314 2.841 20 0 GFADRO CC(=O)c1cc(Br)ccc1OCC(=O)NCC12CCC[NH+]1CCC2 ZINC000614223336 565102769 /nfs/dbraw/zinc/10/27/69/565102769.db2.gz ATUUOMYOAAXOEJ-UHFFFAOYSA-N 1 0 395.297 2.775 20 0 GFADRO CC1CC[NH+]([C@H](CNS(=O)(=O)[C@@H]2CCOC[C@H]2C)c2cccs2)CC1 ZINC000685290283 565102781 /nfs/dbraw/zinc/10/27/81/565102781.db2.gz VPTXBUWEBJLKDC-JFIYKMOQSA-N 1 0 386.583 2.866 20 0 GFADRO Cc1c(Br)cncc1C[NH2+]C1CCC(CS(C)(=O)=O)CC1 ZINC000657477933 565102907 /nfs/dbraw/zinc/10/29/07/565102907.db2.gz UQLXVEAZQSHIOU-UHFFFAOYSA-N 1 0 375.332 2.846 20 0 GFADRO CO[C@@H](C[NH2+]Cc1nc(-c2cccc(Br)c2)c[nH]1)[C@@H]1CCOC1 ZINC000657539811 565107421 /nfs/dbraw/zinc/10/74/21/565107421.db2.gz CICJCWDRIUUIOI-CJNGLKHVSA-N 1 0 380.286 2.980 20 0 GFADRO COCc1cccc(C[NH2+]CCNC(=O)c2ccc(Br)cn2)c1 ZINC000657564414 565108769 /nfs/dbraw/zinc/10/87/69/565108769.db2.gz VACZFVAIOHSCDC-UHFFFAOYSA-N 1 0 378.270 2.510 20 0 GFADRO CSc1ccc(Cl)c(NC(=O)C(=O)NC2CC[NH+](CC3CC3)CC2)c1 ZINC000657563160 565108984 /nfs/dbraw/zinc/10/89/84/565108984.db2.gz HLJBBDLISIVNDD-UHFFFAOYSA-N 1 0 381.929 2.991 20 0 GFADRO OCCO[C@]1(C[NH2+]Cc2ccc(Br)cc2C(F)(F)F)CCOC1 ZINC000657597340 565111467 /nfs/dbraw/zinc/11/14/67/565111467.db2.gz MGZNHNKKNNKLHZ-AWEZNQCLSA-N 1 0 398.219 2.726 20 0 GFADRO Brc1ccccc1-n1cc(CN[C@H]2CC[N@H+](CC3CC3)C2)nn1 ZINC000685615785 565116143 /nfs/dbraw/zinc/11/61/43/565116143.db2.gz SDFMYCTXOLHCMO-AWEZNQCLSA-N 1 0 376.302 2.604 20 0 GFADRO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1ccc(F)c(Br)c1F ZINC000657651465 565117169 /nfs/dbraw/zinc/11/71/69/565117169.db2.gz DHSUUUBUKXVCSP-SECBINFHSA-N 1 0 392.244 2.512 20 0 GFADRO Brc1ccccc1-n1cc(C[NH2+][C@H]2CCN(c3ccccn3)C2)nn1 ZINC000685619434 565117347 /nfs/dbraw/zinc/11/73/47/565117347.db2.gz QBHAIYAYVSBPAU-AWEZNQCLSA-N 1 0 399.296 2.793 20 0 GFADRO CSc1ccc(Cl)c(NC(=O)C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000657667982 565118259 /nfs/dbraw/zinc/11/82/59/565118259.db2.gz VXBWPCJEOQYWFO-ZDUSSCGKSA-N 1 0 381.929 2.945 20 0 GFADRO CC[NH+](CC)[C@H](CNC(=O)NCc1c(Br)cnn1C)c1ccco1 ZINC000636663446 565119572 /nfs/dbraw/zinc/11/95/72/565119572.db2.gz RXVAJXDJYICZNT-CQSZACIVSA-N 1 0 398.305 2.658 20 0 GFADRO COc1ccc(CNC2CC[NH+]([C@H]3CCOC3)CC2)c(Br)c1O ZINC000657751798 565126019 /nfs/dbraw/zinc/12/60/19/565126019.db2.gz KPEXAEPSZGECTB-AWEZNQCLSA-N 1 0 385.302 2.506 20 0 GFADRO C[N@@H+]1CC[C@@H](C(=O)N(CCc2ccc(Cl)cc2)C[C@@H](O)C(F)(F)F)C1 ZINC000685863511 565128329 /nfs/dbraw/zinc/12/83/29/565128329.db2.gz OIMRTZKAXJZMEB-UKRRQHHQSA-N 1 0 378.822 2.586 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)c1ccc(F)cc1I ZINC000614712684 565129293 /nfs/dbraw/zinc/12/92/93/565129293.db2.gz RVGBRZWAGBZVPD-CHWSQXEVSA-N 1 0 376.213 2.643 20 0 GFADRO C[N@@H+]1CCN(Cc2ccccc2)[C@H](CNCc2ccc(Br)cn2)C1 ZINC000657802322 565131434 /nfs/dbraw/zinc/13/14/34/565131434.db2.gz YJJSYZPLKUTPLH-LJQANCHMSA-N 1 0 389.341 2.750 20 0 GFADRO O=C(Nc1cccc(Br)c1F)C(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000657831942 565132557 /nfs/dbraw/zinc/13/25/57/565132557.db2.gz GTSVJINZCWLTDD-GFCCVEGCSA-N 1 0 398.276 2.614 20 0 GFADRO O=C(NCCC[NH2+][C@H]1CCCn2nccc21)c1ccc(Br)cc1 ZINC000657864609 565133977 /nfs/dbraw/zinc/13/39/77/565133977.db2.gz MVKDMEVWWRQFGJ-HNNXBMFYSA-N 1 0 377.286 2.890 20 0 GFADRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1cc(Br)cc2c1OCCO2 ZINC000614834188 565134589 /nfs/dbraw/zinc/13/45/89/565134589.db2.gz IGEXUELGQCAGPM-IUODEOHRSA-N 1 0 395.297 2.919 20 0 GFADRO CCN(CC)S(=O)(=O)c1ccc(CC[NH2+]C2CC(CF)(CF)C2)s1 ZINC000657870801 565134806 /nfs/dbraw/zinc/13/48/06/565134806.db2.gz QIEJCKBBWWAGLP-UHFFFAOYSA-N 1 0 380.526 2.999 20 0 GFADRO C[C@H](CNS(=O)(=O)c1cc2c(cc1Cl)OCCO2)[N@@H+]1CCC[C@H](C)C1 ZINC000588678602 565137553 /nfs/dbraw/zinc/13/75/53/565137553.db2.gz QIVSEFMVTJXVMU-QWHCGFSZSA-N 1 0 388.917 2.510 20 0 GFADRO CC(C)(CNS(=O)(=O)c1cc2c(cc1Cl)OCCO2)[NH+]1CCCCC1 ZINC000588678398 565137593 /nfs/dbraw/zinc/13/75/93/565137593.db2.gz XAPFMLOMZDPJJP-UHFFFAOYSA-N 1 0 388.917 2.654 20 0 GFADRO CC[C@H](Cc1ccc(Br)cc1)[NH2+]C[C@@H]1CC[C@@H](C(=O)N(C)C)O1 ZINC000657939266 565138572 /nfs/dbraw/zinc/13/85/72/565138572.db2.gz WYFFDXXIAINWHV-IKGGRYGDSA-N 1 0 383.330 2.996 20 0 GFADRO CCn1ncnc1CNC(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000637113564 565138894 /nfs/dbraw/zinc/13/88/94/565138894.db2.gz YEYKSRASCUHRMZ-AWEZNQCLSA-N 1 0 385.299 2.707 20 0 GFADRO C[NH+](C)C[C@H](NC(=O)NC[C@H]1CCCC(=O)N1)c1ccc(Cl)c(Cl)c1 ZINC000637101093 565139232 /nfs/dbraw/zinc/13/92/32/565139232.db2.gz AIYDQZBFCDBJHF-DOMZBBRYSA-N 1 0 387.311 2.564 20 0 GFADRO C[NH+]1CCC2(CCN(C(=O)c3cn4ccc(Br)cc4n3)C2)CC1 ZINC000614962320 565140162 /nfs/dbraw/zinc/14/01/62/565140162.db2.gz AXZIHMVEJFBTOP-UHFFFAOYSA-N 1 0 377.286 2.655 20 0 GFADRO C[N@H+](CCCCNC(=O)C(=O)Nc1cccc(Br)c1F)C1CC1 ZINC000658001487 565145220 /nfs/dbraw/zinc/14/52/20/565145220.db2.gz PBJNHDKQHPKTDA-UHFFFAOYSA-N 1 0 386.265 2.517 20 0 GFADRO COCC[N@H+](C)CCNC(=O)N(Cc1ccc(Br)cc1)C(C)C ZINC000588981843 565147154 /nfs/dbraw/zinc/14/71/54/565147154.db2.gz WTWBATMCTHZPTG-UHFFFAOYSA-N 1 0 386.334 2.947 20 0 GFADRO C[C@H](CCCc1cccnc1)[NH2+]CCNC(=O)c1ccc(Br)cn1 ZINC000658097591 565150141 /nfs/dbraw/zinc/15/01/41/565150141.db2.gz XUSQGFLMFCDPKX-CQSZACIVSA-N 1 0 391.313 2.970 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)C(=O)Nc1nc(-c2cccs2)cs1 ZINC000658127808 565151937 /nfs/dbraw/zinc/15/19/37/565151937.db2.gz XDPHWXFVXHYXCS-LLVKDONJSA-N 1 0 378.523 2.799 20 0 GFADRO COc1ncc(Br)cc1CNC(=O)N(C)[C@H](C)C1CC[NH+](C)CC1 ZINC000637406914 565154223 /nfs/dbraw/zinc/15/42/23/565154223.db2.gz LIZIPPILVGGQSE-GFCCVEGCSA-N 1 0 399.333 2.724 20 0 GFADRO CCC(CC)(C[NH2+]Cc1ncc(I)s1)C(=O)OC ZINC000589172331 565154636 /nfs/dbraw/zinc/15/46/36/565154636.db2.gz CSYTWFXKVHRZQN-UHFFFAOYSA-N 1 0 382.267 2.817 20 0 GFADRO C[N@@H+]1CCC[C@H]1[C@H]1COCCN1C(=O)c1cc2cc(Br)sc2[nH]1 ZINC000615267865 565154580 /nfs/dbraw/zinc/15/45/80/565154580.db2.gz ZRMZNEMSAIKCTK-QWHCGFSZSA-N 1 0 398.326 2.927 20 0 GFADRO C[N@@H+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)[C@H]1CCc2cc(Br)ccc21 ZINC000615276545 565154858 /nfs/dbraw/zinc/15/48/58/565154858.db2.gz SBINBBZQALVXGS-KSZLIROESA-N 1 0 393.325 2.801 20 0 GFADRO C[N@@H+]1CCC[C@H]1[C@H]1COCCN1C(=O)c1cc(-c2ccc(Cl)s2)on1 ZINC000615261896 565155046 /nfs/dbraw/zinc/15/50/46/565155046.db2.gz FDDWIPSYPLMNJA-QWHCGFSZSA-N 1 0 381.885 2.992 20 0 GFADRO Cc1cncc(CC[NH2+][C@H]2CCS(=O)(=O)c3ccc(Br)cc32)n1 ZINC000658263309 565157100 /nfs/dbraw/zinc/15/71/00/565157100.db2.gz YBYKPAMNFUNDCM-HNNXBMFYSA-N 1 0 396.310 2.598 20 0 GFADRO COc1ccc(Br)cc1C(=O)CCC(=O)N1CC[C@@H]([NH+](C)C)[C@@H]1C ZINC000615311222 565157237 /nfs/dbraw/zinc/15/72/37/565157237.db2.gz HLZDYZROWVKIRL-SWLSCSKDSA-N 1 0 397.313 2.972 20 0 GFADRO C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)CNC(=O)c1sc2ccccc2c1Cl ZINC000615314081 565157331 /nfs/dbraw/zinc/15/73/31/565157331.db2.gz QFIOFXSWIQUFFG-WCQYABFASA-N 1 0 379.913 2.836 20 0 GFADRO COc1ccc(Br)cc1C(=O)CCC(=O)N1CC[C@H]([NH+](C)C)[C@H]1C ZINC000615311218 565157946 /nfs/dbraw/zinc/15/79/46/565157946.db2.gz HLZDYZROWVKIRL-DOMZBBRYSA-N 1 0 397.313 2.972 20 0 GFADRO Cc1cc(NC(=O)C(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)ccc1Br ZINC000658260994 565158003 /nfs/dbraw/zinc/15/80/03/565158003.db2.gz LGVLHSXJDLQMGY-ZDUSSCGKSA-N 1 0 382.302 2.685 20 0 GFADRO C[NH+](C)C[C@@H](NC(=O)NCC[C@H](O)C(F)F)c1ccc(Cl)c(Cl)c1 ZINC000637472478 565158341 /nfs/dbraw/zinc/15/83/41/565158341.db2.gz JUDGFECCCQHYAK-OLZOCXBDSA-N 1 0 384.254 2.911 20 0 GFADRO C[NH+](C)C[C@H](NC(=O)N[C@@H](CO)CC(F)F)c1ccc(Cl)c(Cl)c1 ZINC000637476148 565158752 /nfs/dbraw/zinc/15/87/52/565158752.db2.gz XXGKDGNCROOZFG-MFKMUULPSA-N 1 0 384.254 2.911 20 0 GFADRO O=S(=O)(c1cc(Cl)c(Cl)cc1Br)N1CCC[NH2+]CC1 ZINC000658363687 565161925 /nfs/dbraw/zinc/16/19/25/565161925.db2.gz RXVMKSGXRDISSF-UHFFFAOYSA-N 1 0 388.114 2.740 20 0 GFADRO CN1C(=O)C[C@@H](C(=O)N2CC(C[NH+](C)C)C2)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000615505019 565162460 /nfs/dbraw/zinc/16/24/60/565162460.db2.gz DPXPTWDRPPOHPZ-DYVFJYSZSA-N 1 0 384.307 2.533 20 0 GFADRO C[C@H](C[NH3+])N(C)S(=O)(=O)c1cc(Cl)c(Cl)cc1Br ZINC000658366855 565162916 /nfs/dbraw/zinc/16/29/16/565162916.db2.gz HEBLPYPZOLZSQA-ZCFIWIBFSA-N 1 0 376.103 2.724 20 0 GFADRO CC[C@@H]1CN(S(=O)(=O)c2cc(Cl)ccc2OC(F)(F)F)CC[C@@H]1[NH3+] ZINC000658377174 565163854 /nfs/dbraw/zinc/16/38/54/565163854.db2.gz XVLARMUDBCGGOA-KOLCDFICSA-N 1 0 386.823 2.987 20 0 GFADRO CCCOc1ccc(Br)cc1S(=O)(=O)N1CCC[C@H]([NH2+]C)C1 ZINC000658377634 565165074 /nfs/dbraw/zinc/16/50/74/565165074.db2.gz IRNOKFAFZWUJFF-ZDUSSCGKSA-N 1 0 391.331 2.610 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2S(=O)(=O)Cc2cc(F)ccc2Cl)C1 ZINC000658384197 565165883 /nfs/dbraw/zinc/16/58/83/565165883.db2.gz VIBFYOLGCTUGKX-OIISXLGYSA-N 1 0 390.908 2.670 20 0 GFADRO Cc1cc(Br)c(S(=O)(=O)N[C@@H]2CC[NH2+]C3(CCC3)C2)s1 ZINC000658402825 565168222 /nfs/dbraw/zinc/16/82/22/565168222.db2.gz VBXWZRMWZJZLAD-SNVBAGLBSA-N 1 0 379.345 2.772 20 0 GFADRO COc1ccc(S(=O)(=O)N[C@H]2CC[NH2+]C3(CCC3)C2)c(Cl)c1Cl ZINC000658401430 565168181 /nfs/dbraw/zinc/16/81/81/565168181.db2.gz CURFLJSAWPBFTO-JTQLQIEISA-N 1 0 379.309 2.955 20 0 GFADRO CCC1([NH+](C)C)CCN(C(=O)CCS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000637752192 565171499 /nfs/dbraw/zinc/17/14/99/565171499.db2.gz GCJPXAYDYZCBIW-UHFFFAOYSA-N 1 0 386.945 2.837 20 0 GFADRO COc1cc(C(=O)Nc2ccc(N3CC[NH2+]CC3)cn2)ccc1Br ZINC000637822688 565174352 /nfs/dbraw/zinc/17/43/52/565174352.db2.gz CWJDGRIAIGEUIH-UHFFFAOYSA-N 1 0 391.269 2.515 20 0 GFADRO [NH3+][C@@H]1CC=C(C(=O)N2CCC(C(=O)Nc3ccc(Br)cc3)CC2)C1 ZINC000637968366 565179255 /nfs/dbraw/zinc/17/92/55/565179255.db2.gz AWYIJBWKCVGNFK-OAHLLOKOSA-N 1 0 392.297 2.674 20 0 GFADRO CO[C@]1(C[NH+]2CCC(C(=O)Nc3ccc(Br)cc3)CC2)CCOC1 ZINC000637991007 565180385 /nfs/dbraw/zinc/18/03/85/565180385.db2.gz MANHKVAVGCSIFP-SFHVURJKSA-N 1 0 397.313 2.905 20 0 GFADRO Cc1[nH][nH]c(=NC(=O)[C@@H](C[NH+]2CCCC2)c2ccccc2)c1Br ZINC000616004533 565183138 /nfs/dbraw/zinc/18/31/38/565183138.db2.gz XPWXPDQLQNTLOO-AWEZNQCLSA-N 1 0 377.286 2.721 20 0 GFADRO Cc1[nH][nH]c(=NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1Br ZINC000616009781 565185039 /nfs/dbraw/zinc/18/50/39/565185039.db2.gz BVSBYBLUVGVBQZ-AWEZNQCLSA-N 1 0 377.286 2.753 20 0 GFADRO COCCCOC1CC[NH+](Cc2cnn3cc(Br)cnc23)CC1 ZINC000638101237 565185212 /nfs/dbraw/zinc/18/52/12/565185212.db2.gz OVGXXZLBHTZNEG-UHFFFAOYSA-N 1 0 383.290 2.509 20 0 GFADRO Cc1c(C[NH+]2CCSCC2)cccc1NCc1ccc(S(N)(=O)=O)s1 ZINC000638241418 565189852 /nfs/dbraw/zinc/18/98/52/565189852.db2.gz AYKRBBUUSPZYLA-UHFFFAOYSA-N 1 0 397.591 2.865 20 0 GFADRO C[C@@H](CCCC[NH3+])NC(=O)[C@@H]1CCC(=O)N1Cc1ccc(Br)cc1 ZINC000638242079 565190161 /nfs/dbraw/zinc/19/01/61/565190161.db2.gz ARQPGJNMQFEQCD-BBRMVZONSA-N 1 0 396.329 2.574 20 0 GFADRO COCCOc1c(Cl)cc(NC(=O)[C@]2(C)C[C@@H](OC)C[NH2+]2)cc1Cl ZINC000638304780 565191145 /nfs/dbraw/zinc/19/11/45/565191145.db2.gz UJQWIXQRGRPJRO-BZNIZROVSA-N 1 0 377.268 2.724 20 0 GFADRO O=C(c1cc(Br)cc2nc[nH]c21)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000638327283 565192319 /nfs/dbraw/zinc/19/23/19/565192319.db2.gz CTOKHUFUPKBEMR-IAQYHMDHSA-N 1 0 377.286 2.930 20 0 GFADRO C[C@H]([NH3+])CC(=O)N1CCc2cc(Br)c(Br)cc2C1 ZINC000638429324 565196095 /nfs/dbraw/zinc/19/60/95/565196095.db2.gz GGOMQJZOSXPVNS-QMMMGPOBSA-N 1 0 376.092 2.834 20 0 GFADRO O=C(NCc1ccc(Cl)c(Cl)c1)Nc1cnc(N2CC[NH2+]CC2)nc1 ZINC000659020896 565199475 /nfs/dbraw/zinc/19/94/75/565199475.db2.gz CSAODJBCWRVSFU-UHFFFAOYSA-N 1 0 381.267 2.515 20 0 GFADRO CCOCCOc1ccc(Br)cc1NC(=O)NCC12CC(C1)C[NH2+]2 ZINC000659008139 565199622 /nfs/dbraw/zinc/19/96/22/565199622.db2.gz ZKFAFCBWBBBUHQ-UHFFFAOYSA-N 1 0 398.301 2.738 20 0 GFADRO Cc1cc(Br)c(Cl)cc1NC(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000659031410 565199692 /nfs/dbraw/zinc/19/96/92/565199692.db2.gz HDEPDXLNDZOYOG-JTQLQIEISA-N 1 0 376.682 2.911 20 0 GFADRO CCN(CC)S(=O)(=O)c1ccc(CC[NH2+]Cc2cccc(F)c2N)s1 ZINC000638531609 565200153 /nfs/dbraw/zinc/20/01/53/565200153.db2.gz DDRZGKGSDRWYPZ-UHFFFAOYSA-N 1 0 385.530 2.832 20 0 GFADRO Cc1cc(Br)c(Cl)cc1NC(=O)C(=O)NCCC[NH2+]C(C)C ZINC000659077248 565200236 /nfs/dbraw/zinc/20/02/36/565200236.db2.gz GRGYYGUYRGEMRS-UHFFFAOYSA-N 1 0 390.709 2.854 20 0 GFADRO COc1ccc(Br)c(C(=O)NCCC[NH2+]Cc2snnc2C)c1 ZINC000638525435 565200850 /nfs/dbraw/zinc/20/08/50/565200850.db2.gz WNLFAEVOWBBCAI-UHFFFAOYSA-N 1 0 399.314 2.527 20 0 GFADRO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)Nc1cccc(Cl)c1Br ZINC000659106909 565201400 /nfs/dbraw/zinc/20/14/00/565201400.db2.gz WEACOELZROBJLN-SNVBAGLBSA-N 1 0 376.682 2.531 20 0 GFADRO CN(CC(C)(C)[NH3+])C(=O)C(=O)Nc1ccc(Br)c(Cl)c1Cl ZINC000659090815 565201661 /nfs/dbraw/zinc/20/16/61/565201661.db2.gz VIDVSIVEJHRZPO-UHFFFAOYSA-N 1 0 397.100 2.890 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)COc2cccc(Br)c2)CC[C@H]1C(F)(F)F ZINC000638551272 565201695 /nfs/dbraw/zinc/20/16/95/565201695.db2.gz VJIYOOQNVGFFPQ-GXFFZTMASA-N 1 0 395.219 2.814 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)Cc2cccc(Br)c2)CC[C@H]1C(F)(F)F ZINC000638554635 565201786 /nfs/dbraw/zinc/20/17/86/565201786.db2.gz WOUKKKPSJFBWIW-WCQYABFASA-N 1 0 379.220 2.977 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)Cc2ccc(Br)cc2)CC[C@@H]1C(F)(F)F ZINC000638551682 565201899 /nfs/dbraw/zinc/20/18/99/565201899.db2.gz WJQBDHAXSDJJBT-YPMHNXCESA-N 1 0 379.220 2.977 20 0 GFADRO CN1CC[C@@H]([NH2+]CC2(O)CCOCC2)C[C@H]1c1ccc(Br)cc1 ZINC000638541854 565202019 /nfs/dbraw/zinc/20/20/19/565202019.db2.gz YGYIEKRTJPIECS-SJORKVTESA-N 1 0 383.330 2.716 20 0 GFADRO CCCN(C(=O)c1cc(Br)cc2[nH]c(=O)[nH]c21)[C@H]1CC[N@H+](C)C1 ZINC000616467558 565203218 /nfs/dbraw/zinc/20/32/18/565203218.db2.gz FQHPPVHPLUJKCE-NSHDSACASA-N 1 0 381.274 2.587 20 0 GFADRO C[NH2+]CCOCCN(C)C(=O)c1cc(C)n(-c2ccc(Cl)cc2Cl)n1 ZINC000638592622 565204089 /nfs/dbraw/zinc/20/40/89/565204089.db2.gz YBKBHVCDKHIWGG-UHFFFAOYSA-N 1 0 385.295 2.796 20 0 GFADRO O=C(CC1CCCCC1)NCC[NH2+]Cc1cnn2cc(Br)cnc12 ZINC000638598922 565204391 /nfs/dbraw/zinc/20/43/91/565204391.db2.gz ULYYYFMMSLCFJM-UHFFFAOYSA-N 1 0 394.317 2.668 20 0 GFADRO CN(CCOCC[NH3+])C(=O)c1ccc(Oc2cccc(Br)c2)nc1 ZINC000638675076 565206948 /nfs/dbraw/zinc/20/69/48/565206948.db2.gz ARSUZODURFLFHQ-UHFFFAOYSA-N 1 0 394.269 2.684 20 0 GFADRO Cc1cc(Br)ccc1[C@H]1CCCN1C(=O)CNC(=O)[C@@H]([NH3+])C(C)C ZINC000638685752 565206977 /nfs/dbraw/zinc/20/69/77/565206977.db2.gz FKDXGWHNVGZDLQ-WBVHZDCISA-N 1 0 396.329 2.521 20 0 GFADRO C[C@H](C[NH2+]Cc1ccc(S(N)(=O)=O)cc1)Oc1ccccc1Br ZINC000638733558 565208245 /nfs/dbraw/zinc/20/82/45/565208245.db2.gz HUCVMEQSNBPSLN-GFCCVEGCSA-N 1 0 399.310 2.654 20 0 GFADRO COc1cc(Br)c(CNC(=O)C2([NH3+])CC3(CCC3)C2)cc1OC ZINC000659272523 565210497 /nfs/dbraw/zinc/21/04/97/565210497.db2.gz NKIJPURDTCVOCB-UHFFFAOYSA-N 1 0 383.286 2.744 20 0 GFADRO CC(C)c1n[nH]c(C(=O)N2CCC(CO[C@@H]3CC[NH2+]C3)CC2)c1Br ZINC000638781359 565210680 /nfs/dbraw/zinc/21/06/80/565210680.db2.gz CPXHVESGCNZVAY-CYBMUJFWSA-N 1 0 399.333 2.526 20 0 GFADRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)Cc1ccc(Br)c(Br)c1 ZINC000659302226 565211447 /nfs/dbraw/zinc/21/14/47/565211447.db2.gz NSFFWKBXVDYYCL-KOLCDFICSA-N 1 0 390.119 2.950 20 0 GFADRO O=C(COc1cc(Cl)cc(Cl)c1)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000638785242 565211518 /nfs/dbraw/zinc/21/15/18/565211518.db2.gz SVMDYLJYSPHMFM-MRXNPFEDSA-N 1 0 387.307 2.989 20 0 GFADRO Cc1cc(C(=O)N2CCC(CO[C@@H]3CC[NH2+]C3)CC2)ccc1Br ZINC000638782826 565211565 /nfs/dbraw/zinc/21/15/65/565211565.db2.gz CIWRWDWKYKDIAT-MRXNPFEDSA-N 1 0 381.314 2.988 20 0 GFADRO C[C@@](C[NH3+])(NC(=O)Cc1ccc(Br)c(Br)c1)C1CC1 ZINC000659296229 565211550 /nfs/dbraw/zinc/21/15/50/565211550.db2.gz CHAYVAOXBSONBM-AWEZNQCLSA-N 1 0 390.119 2.998 20 0 GFADRO CN(C(=O)Cc1ccc(Br)c(Br)c1)[C@@H]1CC[NH2+]C1 ZINC000659296784 565211574 /nfs/dbraw/zinc/21/15/74/565211574.db2.gz PIMKXYPIFVBKIR-SNVBAGLBSA-N 1 0 376.092 2.574 20 0 GFADRO O=C(Cc1ccc(Br)c(F)c1)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000638793304 565211802 /nfs/dbraw/zinc/21/18/02/565211802.db2.gz ZLMAEEHLDGSHFR-OAHLLOKOSA-N 1 0 399.304 2.748 20 0 GFADRO Cc1ccc(CC(=O)N2CCC(CO[C@H]3CC[NH2+]C3)CC2)cc1Br ZINC000638791944 565212016 /nfs/dbraw/zinc/21/20/16/565212016.db2.gz SZAUSLDNTRZEJB-KRWDZBQOSA-N 1 0 395.341 2.917 20 0 GFADRO O=C(NCc1ccc2c(c1)C[NH2+]C2)c1sc2c(c1Br)CNC2 ZINC000659303404 565211985 /nfs/dbraw/zinc/21/19/85/565211985.db2.gz GRNRDVHYPPDFKN-UHFFFAOYSA-N 1 0 378.295 2.647 20 0 GFADRO [NH3+]C1(C(=O)N[C@@H]2[C@H]3Cc4c(cccc4Br)[C@@H]23)Cc2ccccc2C1 ZINC000638830263 565212814 /nfs/dbraw/zinc/21/28/14/565212814.db2.gz CTLCMYHGHIRLOW-CGTJXYLNSA-N 1 0 383.289 2.700 20 0 GFADRO [NH3+]C[C@@H](NC(=O)c1cc(Br)cc(N2CCCC2)c1)C(F)(F)F ZINC000659331050 565212817 /nfs/dbraw/zinc/21/28/17/565212817.db2.gz YZIFJWYKNVWRMB-GFCCVEGCSA-N 1 0 380.208 2.669 20 0 GFADRO C[C@H]1[NH2+]CC[C@@H]1C(=O)N1CC2(CCOCC2)c2ccc(Br)cc21 ZINC000638840472 565213898 /nfs/dbraw/zinc/21/38/98/565213898.db2.gz CJQSUSPAEHIMRT-OCCSQVGLSA-N 1 0 379.298 2.842 20 0 GFADRO Cc1c(C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)cnn1-c1cccc(Br)c1 ZINC000638923360 565218087 /nfs/dbraw/zinc/21/80/87/565218087.db2.gz QNCMFPZMYMEVKL-OKILXGFUSA-N 1 0 375.270 2.520 20 0 GFADRO CO[C@@H](c1ccccc1Cl)[C@@H](C)[NH2+]Cc1ccc(S(N)(=O)=O)cc1F ZINC000638912068 565218217 /nfs/dbraw/zinc/21/82/17/565218217.db2.gz HPBSWXVEHAEVBJ-PIGZYNQJSA-N 1 0 386.876 2.992 20 0 GFADRO [NH3+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)CC1 ZINC000638948825 565218649 /nfs/dbraw/zinc/21/86/49/565218649.db2.gz ZHTUPEGUJMJQDM-UBHSHLNASA-N 1 0 384.307 2.980 20 0 GFADRO O=C(N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)N1CCc2sc(Br)cc2C1 ZINC000659557570 565219787 /nfs/dbraw/zinc/21/97/87/565219787.db2.gz SBEWOOZBXZOEBI-GMXVVIOVSA-N 1 0 384.343 2.966 20 0 GFADRO O=C(NCc1cc(Cl)cc(Cl)c1)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000659537014 565219796 /nfs/dbraw/zinc/21/97/96/565219796.db2.gz CFGJFZAEZSXAGB-ZDUSSCGKSA-N 1 0 399.244 2.629 20 0 GFADRO O=C(C[C@H]1Sc2ccc(Cl)cc2NC1=O)N1CC[NH+](CC2CC2)CC1 ZINC000617092314 565220818 /nfs/dbraw/zinc/22/08/18/565220818.db2.gz CLIMKTUAIFWVRT-MRXNPFEDSA-N 1 0 379.913 2.697 20 0 GFADRO C[C@H]([NH3+])[C@H]1CN(C(=O)NCC2(Cc3ccc(Br)cc3)CC2)CCO1 ZINC000659599997 565221701 /nfs/dbraw/zinc/22/17/01/565221701.db2.gz STHUYERJUVMERO-XJKSGUPXSA-N 1 0 396.329 2.529 20 0 GFADRO [NH3+][C@H]1CC[C@H](NC(=O)[C@H](c2ccc(Cl)cc2Cl)N2CCOCC2)CC1 ZINC000639043232 565221705 /nfs/dbraw/zinc/22/17/05/565221705.db2.gz RZESCPPRUCIISD-ZQIUZPCESA-N 1 0 386.323 2.753 20 0 GFADRO O=C(NC[C@H]1CCCC[NH2+]1)Nc1cc(F)c(F)cc1I ZINC000591288210 565221880 /nfs/dbraw/zinc/22/18/80/565221880.db2.gz XUSPGXPZCTYMSN-MRVPVSSYSA-N 1 0 395.191 2.833 20 0 GFADRO C[C@]([NH3+])(C(=O)NCc1noc2c1CCCC2)c1ccc(Br)cc1 ZINC000639034024 565221886 /nfs/dbraw/zinc/22/18/86/565221886.db2.gz XLKRTQZWYQKCJX-QGZVFWFLSA-N 1 0 378.270 2.806 20 0 GFADRO Cc1ccc(CNC(=O)[C@]2([NH3+])[C@H]3CCCO[C@@H]3C2(C)C)cc1Br ZINC000639035278 565221988 /nfs/dbraw/zinc/22/19/88/565221988.db2.gz BEGAKXIIBLBYPF-DHSIGJKJSA-N 1 0 381.314 2.906 20 0 GFADRO COC(=O)c1cc(NC(=O)N2CC[C@@H]([NH3+])[C@@H](C)C2)c(Br)cc1F ZINC000591287271 565221999 /nfs/dbraw/zinc/22/19/99/565221999.db2.gz KEWLAXSCHJYTQP-QPUJVOFHSA-N 1 0 388.237 2.576 20 0 GFADRO COC(=O)c1cc(F)c(Br)cc1NC(=O)N1CCC(C)([NH3+])CC1 ZINC000591303724 565222784 /nfs/dbraw/zinc/22/27/84/565222784.db2.gz FRTAJIIPAQAQBJ-UHFFFAOYSA-N 1 0 388.237 2.720 20 0 GFADRO COCCN(CC[NH+](C)C)C(=O)c1cnn(-c2ccc(Cl)cc2Cl)c1 ZINC000591302172 565223059 /nfs/dbraw/zinc/22/30/59/565223059.db2.gz PKJRGYAPPGRGNF-UHFFFAOYSA-N 1 0 385.295 2.829 20 0 GFADRO Cc1cc(Br)cn2cc(CC[NH2+][C@@H](C)C[C@@H]3CCCC(=O)N3)nc12 ZINC000639060574 565223343 /nfs/dbraw/zinc/22/33/43/565223343.db2.gz NLTXZULIICJDFH-ZFWWWQNUSA-N 1 0 393.329 2.985 20 0 GFADRO C[C@H](C[C@H]1CCCC(=O)N1)[NH2+][C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000639110040 565226234 /nfs/dbraw/zinc/22/62/34/565226234.db2.gz KGTHSAKYZUBWRO-XNRPHZJLSA-N 1 0 394.313 2.591 20 0 GFADRO CN1CC[C@H]([NH2+]C[C@H]2CCCC(=O)N2)C[C@@H]1c1ccc(Br)cc1 ZINC000639114213 565226384 /nfs/dbraw/zinc/22/63/84/565226384.db2.gz ASIAQDMZOMQYLG-GVDBMIGSSA-N 1 0 380.330 2.843 20 0 GFADRO O=C(CN1CC[C@H]([NH+]2CCCC2)C1)c1c[nH]c2ncc(Br)cc12 ZINC000659875161 565227909 /nfs/dbraw/zinc/22/79/09/565227909.db2.gz VKKJOXBDVKZGBP-ZDUSSCGKSA-N 1 0 377.286 2.678 20 0 GFADRO C[NH+](C)CCOc1ccc(CCNS(=O)(=O)c2ccc(Cl)s2)cc1 ZINC000591394550 565228946 /nfs/dbraw/zinc/22/89/46/565228946.db2.gz WGCJMBCJXGVHLE-UHFFFAOYSA-N 1 0 388.942 2.863 20 0 GFADRO OC12C[C@@H]3C[C@H](C1)CC([NH2+]Cc1cnn4cc(Br)cnc14)(C3)C2 ZINC000639183589 565231820 /nfs/dbraw/zinc/23/18/20/565231820.db2.gz BSVBUABCIPEBEA-GKUGFIGPSA-N 1 0 377.286 2.665 20 0 GFADRO COc1cc(C[NH2+]CCn2cc(Br)ccc2=O)c(Cl)cc1O ZINC000639216480 565233669 /nfs/dbraw/zinc/23/36/69/565233669.db2.gz IUYSPTLRXHAOEG-UHFFFAOYSA-N 1 0 387.661 2.768 20 0 GFADRO COC[C@](C)(O)CC[NH2+][C@H]1CCN(C)[C@@H](c2ccc(Br)cc2)C1 ZINC000639217025 565233978 /nfs/dbraw/zinc/23/39/78/565233978.db2.gz CXKQHOMCBNDOCI-RCCFBDPRSA-N 1 0 385.346 2.962 20 0 GFADRO CO[C@@H](C[NH2+]CCCS(=O)(=O)c1ccc(Cl)cc1)C1CCOCC1 ZINC000639212335 565234120 /nfs/dbraw/zinc/23/41/20/565234120.db2.gz CVFKQCDMGGKWKV-KRWDZBQOSA-N 1 0 375.918 2.535 20 0 GFADRO CO[C@H](C[NH2+]C[C@H](CO)Cc1ccc(C)c(Br)c1)[C@@H]1CCOC1 ZINC000639245884 565235088 /nfs/dbraw/zinc/23/50/88/565235088.db2.gz NHMRFPVWWNUEOU-JFIYKMOQSA-N 1 0 386.330 2.550 20 0 GFADRO CN1CC[C@H]([NH2+][C@@H]2CC[C@H](C(N)=O)C2)C[C@H]1c1ccc(Br)cc1 ZINC000639252479 565236001 /nfs/dbraw/zinc/23/60/01/565236001.db2.gz JDXWTMFJYRZSCT-ORQFMDKSSA-N 1 0 380.330 2.828 20 0 GFADRO COc1nsc(C[NH2+]CC(C)(C)C2(O)CCOCC2)c1Br ZINC000639273879 565237122 /nfs/dbraw/zinc/23/71/22/565237122.db2.gz YANXXBGDCNDWDA-UHFFFAOYSA-N 1 0 379.320 2.572 20 0 GFADRO Cn1cnc(CCC[NH2+][C@@H]2CCN(C)[C@H](c3ccc(Br)cc3)C2)n1 ZINC000639299255 565237205 /nfs/dbraw/zinc/23/72/05/565237205.db2.gz RVKKVYKSGGDTBF-SJORKVTESA-N 1 0 392.345 2.935 20 0 GFADRO COC(=O)C1CCC([NH2+]C[C@@H](O)COc2cccc(Br)c2)CC1 ZINC000591736078 565237614 /nfs/dbraw/zinc/23/76/14/565237614.db2.gz IJDCONAEDZCVAE-PESDSKBTSA-N 1 0 386.286 2.510 20 0 GFADRO COCCn1cc(C[N@H+](C)C[C@@H](O)COc2cc(Cl)cc(Cl)c2)cn1 ZINC000639360055 565242254 /nfs/dbraw/zinc/24/22/54/565242254.db2.gz KZMDBPGTRYGMOI-MRXNPFEDSA-N 1 0 388.295 2.708 20 0 GFADRO O=C(Cc1ccc(I)cc1)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000591892244 565243306 /nfs/dbraw/zinc/24/33/06/565243306.db2.gz HOUKJWQQNVQHNB-GDBMZVCRSA-N 1 0 398.288 2.824 20 0 GFADRO O=S(=O)(N[C@@H]1CCCC[C@H]1[NH2+]Cc1ncccc1C(F)(F)F)C1CC1 ZINC000639389543 565244422 /nfs/dbraw/zinc/24/44/22/565244422.db2.gz KTKDQBOVBXGWIY-ZIAGYGMSSA-N 1 0 377.432 2.583 20 0 GFADRO CCCNC(=O)C1CC[NH+](C[C@H](O)COc2cc(Cl)cc(Cl)c2)CC1 ZINC000639438997 565245413 /nfs/dbraw/zinc/24/54/13/565245413.db2.gz GIRRAXOWQODUJZ-INIZCTEOSA-N 1 0 389.323 2.971 20 0 GFADRO CCN(C(=O)[C@@H]1CCN(c2cc(Cl)ccc2Cl)C1=O)[C@@H]1CC[N@H+](C)C1 ZINC000617555722 565246074 /nfs/dbraw/zinc/24/60/74/565246074.db2.gz AOKIKVVGOAIWLP-KGLIPLIRSA-N 1 0 384.307 2.899 20 0 GFADRO CCN(C(=O)CSc1nnc(-c2cccs2)n1CC)[C@H]1CC[N@H+](C)C1 ZINC000617560134 565246889 /nfs/dbraw/zinc/24/68/89/565246889.db2.gz IDKLRCPKRVELFE-ZDUSSCGKSA-N 1 0 379.555 2.671 20 0 GFADRO COc1ncc(Br)cc1CN(C)[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000660082928 565249017 /nfs/dbraw/zinc/24/90/17/565249017.db2.gz OVQURQBOHAXURL-UONOGXRCSA-N 1 0 391.331 2.640 20 0 GFADRO CCC[N@H+](C)CC(C)(C)NS(=O)(=O)Cc1ccc(Br)cc1 ZINC000660107940 565253491 /nfs/dbraw/zinc/25/34/91/565253491.db2.gz UEWHLFJFRCGGRF-UHFFFAOYSA-N 1 0 377.348 2.989 20 0 GFADRO CC(=O)NCC[C@@H]1CCC[N@H+](C[C@H](O)COc2cc(Cl)cc(Cl)c2)C1 ZINC000639646086 565254245 /nfs/dbraw/zinc/25/42/45/565254245.db2.gz AWYUTIDSNNBMRP-YOEHRIQHSA-N 1 0 389.323 2.971 20 0 GFADRO COCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C)Oc2ccc(C)cc2Br)C1 ZINC000592098892 565255888 /nfs/dbraw/zinc/25/58/88/565255888.db2.gz ZKMLJIGQVDAHSH-HUUCEWRRSA-N 1 0 399.329 2.752 20 0 GFADRO O=c1cc([C@@H]2CC[N@@H+](CCOc3cc(F)cc(Br)c3)C2)[nH]c(=O)[nH]1 ZINC000639714054 565256894 /nfs/dbraw/zinc/25/68/94/565256894.db2.gz QGTWCFKVESOAPM-SNVBAGLBSA-N 1 0 398.232 2.658 20 0 GFADRO CN(CCC[NH+](C)C)CCNC(=O)CCc1cc(F)ccc1Br ZINC000617765050 565258823 /nfs/dbraw/zinc/25/88/23/565258823.db2.gz RLMXAOCKUVHUCS-UHFFFAOYSA-N 1 0 388.325 2.521 20 0 GFADRO CC(=O)c1nc(CC[N@@H+]2CC[C@H](Oc3cncc(Br)c3)C2)[nH]c1C ZINC000639771348 565260153 /nfs/dbraw/zinc/26/01/53/565260153.db2.gz BTVRUIQQEAUYQD-AWEZNQCLSA-N 1 0 393.285 2.774 20 0 GFADRO CSc1ccc(S(=O)(=O)N2CCO[C@H](CCC[NH+](C)C)C2)cc1Cl ZINC000660156197 565260351 /nfs/dbraw/zinc/26/03/51/565260351.db2.gz KJGOFXHLOHPHHE-CYBMUJFWSA-N 1 0 392.974 2.793 20 0 GFADRO C[NH+](C)C[C@H]1COC2(CCCC2)CN1S(=O)(=O)c1ccc(F)cc1Cl ZINC000660150621 565260567 /nfs/dbraw/zinc/26/05/67/565260567.db2.gz KEQKIKCHSYUUFC-AWEZNQCLSA-N 1 0 390.908 2.743 20 0 GFADRO C[NH+](C)CCC[C@@H]1CN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)CCO1 ZINC000660157052 565261547 /nfs/dbraw/zinc/26/15/47/565261547.db2.gz NMTJRNNKIHZFSE-OAHLLOKOSA-N 1 0 395.352 2.866 20 0 GFADRO CO[C@H](C[NH2+][C@@H](C)c1cc2c(cc1Br)OCCO2)[C@@H]1CCOC1 ZINC000660186441 565264731 /nfs/dbraw/zinc/26/47/31/565264731.db2.gz ADFHGBOHKFSJHV-XWCIJXRUSA-N 1 0 386.286 2.922 20 0 GFADRO O=C(C[C@H]1CC[NH2+]C1)NCc1ccc(I)c(Cl)c1 ZINC000592276327 565265783 /nfs/dbraw/zinc/26/57/83/565265783.db2.gz DIARVLXYGLAFIU-SNVBAGLBSA-N 1 0 378.641 2.560 20 0 GFADRO C[N@H+](CCOC1CCOCC1)C[C@H](O)COc1cc(Cl)cc(Cl)c1 ZINC000639920090 565267273 /nfs/dbraw/zinc/26/72/73/565267273.db2.gz TXKNCRJOHDIKNU-HNNXBMFYSA-N 1 0 378.296 2.861 20 0 GFADRO COC[C@@](C)(CO)[NH2+]CC(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000639956521 565268313 /nfs/dbraw/zinc/26/83/13/565268313.db2.gz XVJFSJDCKMEUFG-DOTOQJQBSA-N 1 0 375.296 2.644 20 0 GFADRO O=C(NCC1CC[NH+](Cc2ccncc2)CC1)c1ccc(Br)cn1 ZINC000617978138 565270027 /nfs/dbraw/zinc/27/00/27/565270027.db2.gz QJHRAOMPYVNCPH-UHFFFAOYSA-N 1 0 389.297 2.881 20 0 GFADRO Ic1ccc2[nH]nc(-c3nc([C@H]4CCC[NH2+]4)no3)c2c1 ZINC000592357320 565270848 /nfs/dbraw/zinc/27/08/48/565270848.db2.gz WEDDLBKAVWELCH-SNVBAGLBSA-N 1 0 381.177 2.642 20 0 GFADRO COc1cc(NC(=O)N2CCCC23CC[NH+](C)CC3)ncc1Br ZINC000639968243 565271841 /nfs/dbraw/zinc/27/18/41/565271841.db2.gz RMJCUHKQYYASNN-UHFFFAOYSA-N 1 0 383.290 2.945 20 0 GFADRO COc1cc(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)ncc1Br ZINC000639967052 565272088 /nfs/dbraw/zinc/27/20/88/565272088.db2.gz JRXUMBGTXGYDQG-YOGCLGLASA-N 1 0 383.290 2.990 20 0 GFADRO CC1([NH+]2CCCC2)CCN(CC(=O)Nc2ccc(Br)cn2)CC1 ZINC000639982957 565272036 /nfs/dbraw/zinc/27/20/36/565272036.db2.gz YXSXPFZBGGLYMU-UHFFFAOYSA-N 1 0 381.318 2.733 20 0 GFADRO CC[N@@H+](Cc1cccc(Br)c1)C[C@@H](O)CN1C[C@@H](C)O[C@@H](C)C1 ZINC000592390239 565273671 /nfs/dbraw/zinc/27/36/71/565273671.db2.gz ZZMGLTJEQYTWRF-RVKKMQEKSA-N 1 0 385.346 2.741 20 0 GFADRO O=C(CCOc1ccc(Cl)cc1Cl)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000592412480 565275038 /nfs/dbraw/zinc/27/50/38/565275038.db2.gz PMEMWYJFECWJSR-HOTGVXAUSA-N 1 0 387.307 2.820 20 0 GFADRO O=C(NCc1cc(Br)cs1)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000660422131 565275151 /nfs/dbraw/zinc/27/51/51/565275151.db2.gz CLZJDTIEKDPJHM-ZDUSSCGKSA-N 1 0 388.331 2.563 20 0 GFADRO O=C(N1CC[NH+]([C@H]2CCC[C@H]2O)CC1)C1(c2cccc(Br)c2)CC1 ZINC000592407207 565275708 /nfs/dbraw/zinc/27/57/08/565275708.db2.gz CADYQTWBWPBWLO-DLBZAZTESA-N 1 0 393.325 2.538 20 0 GFADRO COC(=O)C[C@H]([NH2+]C[C@H]1CNc2ccnn2C1)c1cccc(Br)c1 ZINC000592513131 565279675 /nfs/dbraw/zinc/27/96/75/565279675.db2.gz YDVUXNAOFMOTRP-WFASDCNBSA-N 1 0 393.285 2.581 20 0 GFADRO [NH3+]C[C@H]1CCCn2ncc(C(=O)NCc3cc(F)cc(Br)c3)c21 ZINC000592505464 565279944 /nfs/dbraw/zinc/27/99/44/565279944.db2.gz TXDUUOGSYCASQY-LLVKDONJSA-N 1 0 381.249 2.551 20 0 GFADRO O=C(Cc1cccc(I)c1)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000592568915 565282110 /nfs/dbraw/zinc/28/21/10/565282110.db2.gz QKYIBWUPIXCKKT-AWEZNQCLSA-N 1 0 384.261 2.625 20 0 GFADRO CN(Cc1ccc(F)cc1Br)C(=O)c1cnn2c1[C@@H](C[NH3+])CCC2 ZINC000592566277 565282146 /nfs/dbraw/zinc/28/21/46/565282146.db2.gz AVPILMVQYJHKIK-LLVKDONJSA-N 1 0 395.276 2.893 20 0 GFADRO O=C(Cc1cccc(I)c1)N[C@@H]1CC[NH2+]C12CCCC2 ZINC000592570826 565282192 /nfs/dbraw/zinc/28/21/92/565282192.db2.gz SDBCJRVBRYTWNA-CQSZACIVSA-N 1 0 384.261 2.625 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)CCn1cc(Br)cn1)c1ccc(F)cc1 ZINC000618235768 565282294 /nfs/dbraw/zinc/28/22/94/565282294.db2.gz OHGIUHCXQUXPMQ-OAHLLOKOSA-N 1 0 383.265 2.594 20 0 GFADRO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)[C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 ZINC000618305785 565285941 /nfs/dbraw/zinc/28/59/41/565285941.db2.gz HIKZVAHUKPYQIS-HOTGVXAUSA-N 1 0 386.323 2.575 20 0 GFADRO C[C@@H]1CN(C(=O)Nc2cscc2Br)CC[N@@H+]1CC(C)(C)O ZINC000640188081 565286943 /nfs/dbraw/zinc/28/69/43/565286943.db2.gz PLKWFPHLBPHFIV-SNVBAGLBSA-N 1 0 376.320 2.820 20 0 GFADRO CCN1CC[NH+](C[C@H](C)CNC(=O)Nc2cscc2Br)CC1 ZINC000640191178 565286977 /nfs/dbraw/zinc/28/69/77/565286977.db2.gz HZDODRLVZVDSGM-GFCCVEGCSA-N 1 0 389.363 2.906 20 0 GFADRO C[N@@H+]1CC[C@@]2(C1)CCCN(C[C@H](O)COc1ccc(Br)cc1)C2 ZINC000660651807 565287017 /nfs/dbraw/zinc/28/70/17/565287017.db2.gz CKQZVEPYZCPRRJ-FUHWJXTLSA-N 1 0 383.330 2.607 20 0 GFADRO C[C@H](NC(=O)C[NH2+][C@@H]1CCCn2nccc21)c1ccc(Br)cc1 ZINC000640217785 565288009 /nfs/dbraw/zinc/28/80/09/565288009.db2.gz QEUWKGFKSUXFNE-SWLSCSKDSA-N 1 0 377.286 2.948 20 0 GFADRO CC(C)C[NH2+]C1(CO)CCN(CCOc2ccc(Br)cc2)CC1 ZINC000660692416 565289392 /nfs/dbraw/zinc/28/93/92/565289392.db2.gz MVDSGYYSJFRGOC-UHFFFAOYSA-N 1 0 385.346 2.900 20 0 GFADRO O=C(NCC[NH+]1CCCCC1)c1ccn(-c2cccc(Br)c2)n1 ZINC000592742263 565292052 /nfs/dbraw/zinc/29/20/52/565292052.db2.gz RRJOKFBRYFEURY-UHFFFAOYSA-N 1 0 377.286 2.851 20 0 GFADRO CCC[NH+]1CCC(CNC(=O)Nc2nn(CC(F)(F)F)cc2Cl)CC1 ZINC000640292512 565294301 /nfs/dbraw/zinc/29/43/01/565294301.db2.gz KTRGOHILIAIUDL-UHFFFAOYSA-N 1 0 381.830 3.342 20 0 GFADRO C[C@H](CCNC(=O)Nc1nn(CC(F)(F)F)cc1Cl)[NH+]1CCCCC1 ZINC000640296730 565295802 /nfs/dbraw/zinc/29/58/02/565295802.db2.gz PTIFMGYCNORFSA-LLVKDONJSA-N 1 0 381.830 3.485 20 0 GFADRO O=C(Nc1nn(CC(F)(F)F)cc1Cl)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000640302747 565296918 /nfs/dbraw/zinc/29/69/18/565296918.db2.gz OAXQRPFVEUJBOO-RYUDHWBXSA-N 1 0 379.814 3.237 20 0 GFADRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)Nc1nn(CC(F)(F)F)cc1Cl ZINC000640302639 565297390 /nfs/dbraw/zinc/29/73/90/565297390.db2.gz SZSMNKXTAUGCNA-PWSUYJOCSA-N 1 0 379.814 3.189 20 0 GFADRO C[C@H]1C[C@@H](NC(=O)N2CCOc3cc(Br)ccc3C2)C[N@@H+]1C1CC1 ZINC000660869796 565298455 /nfs/dbraw/zinc/29/84/55/565298455.db2.gz RPQAAQZWDCMUAF-SWLSCSKDSA-N 1 0 394.313 2.978 20 0 GFADRO Cn1cc(Br)c(NC(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)n1 ZINC000640310089 565298969 /nfs/dbraw/zinc/29/89/69/565298969.db2.gz UCMJFRZEGJDYRC-CYBMUJFWSA-N 1 0 396.289 3.124 20 0 GFADRO Cn1cc(Br)c(NC(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)n1 ZINC000640328495 565302511 /nfs/dbraw/zinc/30/25/11/565302511.db2.gz YAHRHNYTDCWDOJ-CQSZACIVSA-N 1 0 398.349 3.303 20 0 GFADRO CCC(CC)[C@H](CNS(=O)(=O)c1ccc([C@@H](C)NC(C)=O)s1)[NH+](C)C ZINC000618540092 565304993 /nfs/dbraw/zinc/30/49/93/565304993.db2.gz SSJMPFAZRWSMQA-DOMZBBRYSA-N 1 0 389.587 2.590 20 0 GFADRO CC[N@@H+]1C[C@H](C)N(C(=O)Nc2nnc(C(F)(F)C(F)(F)F)s2)C[C@H]1C ZINC000640384461 565305041 /nfs/dbraw/zinc/30/50/41/565305041.db2.gz DDSLPURWUSJDNL-SFYZADRCSA-N 1 0 387.378 3.139 20 0 GFADRO Cc1cc(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](Cn3ccnn3)C2)ccc1Br ZINC000661141420 565309807 /nfs/dbraw/zinc/30/98/07/565309807.db2.gz PNEZHZPBJHODLM-KGLIPLIRSA-N 1 0 392.301 2.698 20 0 GFADRO Cc1ccc(NC(=O)[C@H](C)N2CC[C@@H](Cn3ccnn3)C2)c(Br)c1 ZINC000661144180 565310001 /nfs/dbraw/zinc/31/00/01/565310001.db2.gz DPCXMTDUQTVCHH-UONOGXRCSA-N 1 0 392.301 2.698 20 0 GFADRO CS(=O)(=O)c1cccc(Cl)c1C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000618666128 565310900 /nfs/dbraw/zinc/31/09/00/565310900.db2.gz VWTCOSNNMFLGLV-ZDUSSCGKSA-N 1 0 384.929 2.880 20 0 GFADRO COC[C@@H]([NH2+]C[C@@H](O)COc1ccc(Cl)cc1Cl)C1CCOCC1 ZINC000661160854 565311503 /nfs/dbraw/zinc/31/15/03/565311503.db2.gz ONIYPJFTUNHLKQ-GDBMZVCRSA-N 1 0 378.296 2.764 20 0 GFADRO CO[C@@H]1CCC[C@H]([C@@H](CO)[NH2+]CCC(=O)Nc2cccc(Br)c2)C1 ZINC000661216037 565314253 /nfs/dbraw/zinc/31/42/53/565314253.db2.gz GHPNGUCOJJDZOI-IAOVAPTHSA-N 1 0 399.329 2.933 20 0 GFADRO Cc1c(Br)cccc1CNC(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000661361720 565320034 /nfs/dbraw/zinc/32/00/34/565320034.db2.gz NXBWIMUWJJVKSY-INIZCTEOSA-N 1 0 396.329 2.810 20 0 GFADRO O[C@H](COC1CCOCC1)C[NH+]1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000661377946 565321503 /nfs/dbraw/zinc/32/15/03/565321503.db2.gz XJFLRBASTQZRMF-HNNXBMFYSA-N 1 0 389.323 2.672 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)N[C@H](CO)c1ccc(Br)cc1 ZINC000661404076 565322985 /nfs/dbraw/zinc/32/29/85/565322985.db2.gz SJJGXYVMDXQRIK-LSDHHAIUSA-N 1 0 384.318 2.655 20 0 GFADRO O=C(Cn1cc(C[NH2+]C2CCCC2)nn1)Nc1ccc(Br)cc1F ZINC000640759618 565325145 /nfs/dbraw/zinc/32/51/45/565325145.db2.gz YOASURPDJPOORE-UHFFFAOYSA-N 1 0 396.264 2.851 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)NCc2cc3c(c(Br)c2)OCO3)C1 ZINC000661505627 565326244 /nfs/dbraw/zinc/32/62/44/565326244.db2.gz BMRBNHLGLHLMJY-GFCCVEGCSA-N 1 0 398.301 2.850 20 0 GFADRO [NH3+][C@@H](c1cn(CCOc2cccc(Br)c2)nn1)C1CCOCC1 ZINC000640796730 565327567 /nfs/dbraw/zinc/32/75/67/565327567.db2.gz LHUKEZYOVNQMIF-MRXNPFEDSA-N 1 0 381.274 2.546 20 0 GFADRO C[N@@H+](Cc1ccnc(-c2ccc(Br)cc2)n1)C[C@H]1COCCO1 ZINC000661614634 565331687 /nfs/dbraw/zinc/33/16/87/565331687.db2.gz ZLSFLNVGPUAXJX-INIZCTEOSA-N 1 0 378.270 2.753 20 0 GFADRO C[C@@H](C(=O)Nc1cccc(Br)c1)n1cc([C@H]2CCC[NH2+]C2)nn1 ZINC000640881143 565333988 /nfs/dbraw/zinc/33/39/88/565333988.db2.gz OKBDEPGLKSCQBX-RYUDHWBXSA-N 1 0 378.274 2.707 20 0 GFADRO C[C@@H](C(=O)Nc1ccccc1Br)n1cc([C@H]2CCC[NH2+]C2)nn1 ZINC000640901067 565334779 /nfs/dbraw/zinc/33/47/79/565334779.db2.gz ICSIMNGMECPZDJ-RYUDHWBXSA-N 1 0 378.274 2.707 20 0 GFADRO Cc1cc(N2CCC[C@H]([N@@H+]3CC[C@@]4(O)C[C@H]4C3)C2=O)ccc1Br ZINC000661722509 565335848 /nfs/dbraw/zinc/33/58/48/565335848.db2.gz IBICYZRDTRNPQC-QANKJYHBSA-N 1 0 379.298 2.710 20 0 GFADRO C[C@]12COC[C@H]1C[N@H+](C[C@@H](O)COc1ccc(Cl)cc1Br)C2 ZINC000661703144 565335879 /nfs/dbraw/zinc/33/58/79/565335879.db2.gz IMJAYLAQQKWGQR-KFNAQCHYSA-N 1 0 390.705 2.811 20 0 GFADRO CC(C)CCNC(=O)[C@H](C)n1cc([C@H]([NH3+])c2ccc(Br)cc2)nn1 ZINC000640907107 565336215 /nfs/dbraw/zinc/33/62/15/565336215.db2.gz ZDJNOAJHGIITSU-BLLLJJGKSA-N 1 0 394.317 2.812 20 0 GFADRO Cn1cnc(CCNc2ncnc3cc(I)sc32)c1 ZINC000593482505 565337019 /nfs/dbraw/zinc/33/70/19/565337019.db2.gz RNRPHVGLENLLDT-UHFFFAOYSA-N 1 0 385.234 2.684 20 0 GFADRO CC[C@](C)([NH3+])c1cn([C@H](C)C(=O)N(C)Cc2ccc(Br)cc2)nn1 ZINC000640926282 565337259 /nfs/dbraw/zinc/33/72/59/565337259.db2.gz PIHYBGSDXJWORW-PXAZEXFGSA-N 1 0 394.317 2.844 20 0 GFADRO CC(C)[C@H]([NH3+])c1cn([C@H](C)C(=O)N(C)Cc2ccc(Br)cc2)nn1 ZINC000640925295 565337851 /nfs/dbraw/zinc/33/78/51/565337851.db2.gz IJUZCBZFJAVMRP-WBMJQRKESA-N 1 0 394.317 2.916 20 0 GFADRO C[C@H](c1ccc(Cl)cc1Cl)n1cc(CNC(=O)C2CC[NH2+]CC2)nn1 ZINC000640992616 565340785 /nfs/dbraw/zinc/34/07/85/565340785.db2.gz XFJSHTXKSVFKRM-LLVKDONJSA-N 1 0 382.295 2.810 20 0 GFADRO Brc1csc(-c2noc(Cn3cc([C@H]4CCC[NH2+]C4)nn3)n2)c1 ZINC000640994572 565341102 /nfs/dbraw/zinc/34/11/02/565341102.db2.gz VGLLIINTECLZHS-VIFPVBQESA-N 1 0 395.286 2.667 20 0 GFADRO COC1(C[NH2+]Cc2c(F)ccc(I)c2F)CCOCC1 ZINC000619427872 565341421 /nfs/dbraw/zinc/34/14/21/565341421.db2.gz XMWWHICIPBQOQN-UHFFFAOYSA-N 1 0 397.203 2.855 20 0 GFADRO CCC[C@@H]([NH3+])c1cn([C@H]2CCN(c3cccc(Br)c3)C2=O)nn1 ZINC000641104632 565345710 /nfs/dbraw/zinc/34/57/10/565345710.db2.gz JMAWAJCWZNVWBK-HIFRSBDPSA-N 1 0 378.274 2.819 20 0 GFADRO CS[C@@H]1CN(C(=O)c2nscc2Br)C[C@H]1[NH+]1CCCC1 ZINC000593604150 565346609 /nfs/dbraw/zinc/34/66/09/565346609.db2.gz XQRMIZLXLQTFRG-GHMZBOCLSA-N 1 0 376.345 2.557 20 0 GFADRO O=C1CCCN1C[C@H]1CC[N@@H+](C[C@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000662059912 565348401 /nfs/dbraw/zinc/34/84/01/565348401.db2.gz IZAGZQAYIXSOKH-ZFWWWQNUSA-N 1 0 387.307 2.677 20 0 GFADRO [NH3+]CCCCc1cn(Cc2cccc(Br)c2OC(F)F)nn1 ZINC000641122552 565348494 /nfs/dbraw/zinc/34/84/94/565348494.db2.gz IDUZDKZFOIHVAP-UHFFFAOYSA-N 1 0 375.217 2.972 20 0 GFADRO Brc1ccc2nc(Cn3cc(C[C@@H]4CCC[NH2+]C4)nn3)oc2c1 ZINC000641130472 565349189 /nfs/dbraw/zinc/34/91/89/565349189.db2.gz MUMIWDMTMVRWCT-NSHDSACASA-N 1 0 376.258 2.772 20 0 GFADRO CC(C)[C@@H]([NH3+])c1cn([C@@H]2CCc3cc(Br)ccc3NC2=O)nn1 ZINC000641163946 565350581 /nfs/dbraw/zinc/35/05/81/565350581.db2.gz IFJSNMFQRHZIGS-HUUCEWRRSA-N 1 0 378.274 2.822 20 0 GFADRO C[C@H](C(=O)Nc1cccc(Cl)c1Cl)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000662154208 565353035 /nfs/dbraw/zinc/35/30/35/565353035.db2.gz FKRLTQGDJNEZGA-OCCSQVGLSA-N 1 0 386.323 2.851 20 0 GFADRO CC(C)(C)[C@H]([NH3+])c1cn(C[C@@H](O)COc2ccc(Br)cc2)nn1 ZINC000641195017 565353065 /nfs/dbraw/zinc/35/30/65/565353065.db2.gz ZHORCFPQBGSIHT-IUODEOHRSA-N 1 0 383.290 2.526 20 0 GFADRO COCC[NH2+]CCc1cn(Cc2oc3ccccc3c2Br)nn1 ZINC000641210611 565354462 /nfs/dbraw/zinc/35/44/62/565354462.db2.gz YBDOGFMMCYOCAM-UHFFFAOYSA-N 1 0 379.258 2.614 20 0 GFADRO CO[C@@]1(C[NH2+]Cc2ccc(I)cc2Cl)CCOC1 ZINC000619715439 565356598 /nfs/dbraw/zinc/35/65/98/565356598.db2.gz DUJIHBOOCSDRHU-CYBMUJFWSA-N 1 0 381.641 2.840 20 0 GFADRO C[C@@H]1CN(C[C@H](O)C[NH2+]CC(C)(C)c2ccc(Br)cc2)C[C@@H](C)O1 ZINC000619742080 565357780 /nfs/dbraw/zinc/35/77/80/565357780.db2.gz NSPIUIWGSUCEEZ-IIDMSEBBSA-N 1 0 399.373 2.786 20 0 GFADRO CCOC(=O)c1cc(Cl)cc(S(=O)(=O)N2CCC[C@H](C)[C@H]2CC[NH3+])c1 ZINC000593733799 565358470 /nfs/dbraw/zinc/35/84/70/565358470.db2.gz JXSJROWVZOMCSP-BLLLJJGKSA-N 1 0 388.917 2.655 20 0 GFADRO [NH3+]C[C@H]1CCc2ccccc2N1Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000662306166 565359189 /nfs/dbraw/zinc/35/91/89/565359189.db2.gz OLEYYDROJXAXRM-MRXNPFEDSA-N 1 0 399.292 2.737 20 0 GFADRO C[C@@H]1CCN(Cc2nc(Cc3cccc(Br)c3)no2)[C@H](C[NH3+])C1 ZINC000662312360 565360263 /nfs/dbraw/zinc/36/02/63/565360263.db2.gz ZUKINHNDNPMTJN-DOMZBBRYSA-N 1 0 379.302 2.982 20 0 GFADRO C[NH+](C)CCC[C@@H]1CN(C[C@@H](O)COc2c(Cl)cccc2Cl)CCO1 ZINC000662318828 565360543 /nfs/dbraw/zinc/36/05/43/565360543.db2.gz HGWFNLNHDXUADU-HUUCEWRRSA-N 1 0 391.339 2.776 20 0 GFADRO CCC[N@@H+]1CC[C@@H](NC(=O)C[C@H](NC(C)=O)c2ccc(Br)cc2)C1 ZINC000619893357 565362030 /nfs/dbraw/zinc/36/20/30/565362030.db2.gz GVAZBHXRXOCHQW-SJORKVTESA-N 1 0 396.329 2.617 20 0 GFADRO CS(=O)(=O)NC1CCN(Cc2cccc(Br)c2Cl)CC1 ZINC000662347833 565362328 /nfs/dbraw/zinc/36/23/28/565362328.db2.gz QEKDULJDJXATLR-UHFFFAOYSA-N 1 0 381.723 2.616 20 0 GFADRO CCC[N@@H+]1CC[C@H](NC(=O)c2ncc(Br)cc2Br)C1 ZINC000619897184 565362458 /nfs/dbraw/zinc/36/24/58/565362458.db2.gz HGGLHBMUHZNHEN-JTQLQIEISA-N 1 0 391.107 2.821 20 0 GFADRO C[NH2+][C@@H]1CCCN(C(=O)Cc2ccc(Br)c(Br)c2)C1 ZINC000662406926 565366049 /nfs/dbraw/zinc/36/60/49/565366049.db2.gz NENSPKMXYQIQPK-LLVKDONJSA-N 1 0 390.119 2.965 20 0 GFADRO O=C(NCc1ccc(Br)cc1Cl)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC000662417570 565366263 /nfs/dbraw/zinc/36/62/63/565366263.db2.gz SNSVLJTVNYWRQW-JTQLQIEISA-N 1 0 383.677 2.833 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)[C@@H]2CCO[C@H]2c2cncc(Br)c2)C1 ZINC000662419549 565366683 /nfs/dbraw/zinc/36/66/83/565366683.db2.gz JZZBXCRIUAKUCL-BHTHQVBYSA-N 1 0 382.302 2.508 20 0 GFADRO C[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)c1cnnn1C1CC[NH2+]CC1 ZINC000662434076 565367184 /nfs/dbraw/zinc/36/71/84/565367184.db2.gz HRQWAKKYGRHTFK-LLVKDONJSA-N 1 0 382.295 2.870 20 0 GFADRO CC[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)NC[C@H](C)[NH3+])CC1 ZINC000641424558 565371750 /nfs/dbraw/zinc/37/17/50/565371750.db2.gz KRNUZRNLCWPWFF-BBRMVZONSA-N 1 0 383.334 2.575 20 0 GFADRO CC(C)(CNC(=O)c1c[nH]nc1[C@H]1CC[NH2+]C1)c1ccccc1Br ZINC000662505905 565372156 /nfs/dbraw/zinc/37/21/56/565372156.db2.gz UUSIFLNZKRZVET-LBPRGKRZSA-N 1 0 391.313 2.957 20 0 GFADRO C[C@H](Cc1ccccc1Br)NC(=O)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC000662499602 565373021 /nfs/dbraw/zinc/37/30/21/565373021.db2.gz DOUOJJQVNLSYGD-YPMHNXCESA-N 1 0 377.286 2.610 20 0 GFADRO O=C(c1cc(Br)cc2c1OCCO2)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000662517008 565374064 /nfs/dbraw/zinc/37/40/64/565374064.db2.gz IZQCJGKAAUSINW-CYBMUJFWSA-N 1 0 395.297 2.682 20 0 GFADRO O=C(NCCc1ccc(F)c(Br)c1)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662521815 565375200 /nfs/dbraw/zinc/37/52/00/565375200.db2.gz IRSTXDCYCCRJQJ-ZDUSSCGKSA-N 1 0 383.183 2.789 20 0 GFADRO O=C(N1CCc2c(Br)cccc2C1)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662555245 565377261 /nfs/dbraw/zinc/37/72/61/565377261.db2.gz UHCOVWRMQKVMGS-CQSZACIVSA-N 1 0 377.204 2.876 20 0 GFADRO C[C@@H]([NH3+])CNC(=O)N1CCC[C@@H]1c1nc(-c2ccccc2Br)no1 ZINC000641494798 565377499 /nfs/dbraw/zinc/37/74/99/565377499.db2.gz ZWRCSFSIXOBQPT-ZWNOBZJWSA-N 1 0 394.273 2.693 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(C(=O)Cc3ccc(Br)cc3F)C2)C1 ZINC000662581668 565378072 /nfs/dbraw/zinc/37/80/72/565378072.db2.gz JGCXGVQYWFBTHP-LXZKKBNFSA-N 1 0 399.304 2.876 20 0 GFADRO Cc1c(Br)cncc1C(=O)N1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000662574175 565378220 /nfs/dbraw/zinc/37/82/20/565378220.db2.gz IXNDCWXAOLVODS-JKSUJKDBSA-N 1 0 382.302 2.511 20 0 GFADRO O=C(N1CCN(Cc2ccc(Cl)cc2)CC1)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662667157 565380742 /nfs/dbraw/zinc/38/07/42/565380742.db2.gz YUTOYMHCTNXQGD-MRXNPFEDSA-N 1 0 375.822 2.526 20 0 GFADRO CC[C@H](Cc1ccc(Br)cc1)NC(=O)CCN1CC[NH+](CC)CC1 ZINC000620340265 565381128 /nfs/dbraw/zinc/38/11/28/565381128.db2.gz RLEBHYXRHYAGQI-GOSISDBHSA-N 1 0 396.373 2.914 20 0 GFADRO N[C@H](C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1)c1ccccc1Br ZINC000662667520 565381289 /nfs/dbraw/zinc/38/12/89/565381289.db2.gz BSYOBKOZWWJFJX-DYVFJYSZSA-N 1 0 380.330 2.972 20 0 GFADRO CC[NH+](CC)CC[C@H](CO)Nc1ncnc(C(F)(F)F)c1Br ZINC000641549185 565381426 /nfs/dbraw/zinc/38/14/26/565381426.db2.gz VAJGSVCKUSFDOU-SECBINFHSA-N 1 0 385.228 2.763 20 0 GFADRO [NH3+]C[C@H]1OCC[C@H]1C(=O)Nc1ccc(Oc2cccc(Br)c2)nc1 ZINC000662706403 565382304 /nfs/dbraw/zinc/38/23/04/565382304.db2.gz CHSZWCQEGMUPIL-HUUCEWRRSA-N 1 0 392.253 2.939 20 0 GFADRO CC[C@@H](Cc1ccc(Br)cc1)NC(=O)c1cn(CCCC[NH3+])nn1 ZINC000662731737 565383159 /nfs/dbraw/zinc/38/31/59/565383159.db2.gz ITTOLJGFJZLIKE-HNNXBMFYSA-N 1 0 394.317 2.531 20 0 GFADRO C[N@@H+]1CCC[C@H](CNC(=O)[C@]2(C(F)(F)F)CC[NH2+]C2)[C@H]1c1cccs1 ZINC000662743928 565383612 /nfs/dbraw/zinc/38/36/12/565383612.db2.gz ABHOXHHFZXZZNT-INWMFGNUSA-N 1 0 375.460 2.789 20 0 GFADRO CC(C)(C)n1cc(Br)c(C(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)n1 ZINC000662781110 565384676 /nfs/dbraw/zinc/38/46/76/565384676.db2.gz UVLJNWZMNOZRNA-ZDUSSCGKSA-N 1 0 383.334 2.862 20 0 GFADRO COc1ccc(I)c(NC(=O)[C@@H]2C[C@]23CCC[NH2+]C3)c1 ZINC000594431144 565385640 /nfs/dbraw/zinc/38/56/40/565385640.db2.gz IKJHIWNPZLZQFE-NHYWBVRUSA-N 1 0 386.233 2.628 20 0 GFADRO O=C(N1CCc2cc(Br)ccc2C1)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662799786 565385991 /nfs/dbraw/zinc/38/59/91/565385991.db2.gz MBUVTKDBDDFLOW-CQSZACIVSA-N 1 0 377.204 2.876 20 0 GFADRO O=C(CCCc1cccc(Br)c1)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000620481736 565386351 /nfs/dbraw/zinc/38/63/51/565386351.db2.gz HLUPVEVXMGFRHT-SFHVURJKSA-N 1 0 395.341 2.829 20 0 GFADRO Cc1c(C[NH3+])c(NC(=O)[C@@H](C)Oc2ccc(C)cc2Br)nn1C ZINC000662840548 565387601 /nfs/dbraw/zinc/38/76/01/565387601.db2.gz DFOJIWPCADVMNA-LLVKDONJSA-N 1 0 381.274 2.664 20 0 GFADRO C[C@@H]1[C@@H](c2ccc(Br)cc2)OCCN1C(=O)[C@@H]([NH3+])CC(F)F ZINC000662859374 565388253 /nfs/dbraw/zinc/38/82/53/565388253.db2.gz LDKMOLBYFIHJOH-LQJRIPTKSA-N 1 0 377.229 2.720 20 0 GFADRO O=C(C[NH2+]C[C@@H]1CCCO1)N1CCc2[nH]c3ccc(Br)cc3c2C1 ZINC000662863591 565388614 /nfs/dbraw/zinc/38/86/14/565388614.db2.gz IMLXRLCIQVVZLX-ZDUSSCGKSA-N 1 0 392.297 2.584 20 0 GFADRO CN(Cc1ccc(Cl)s1)C(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662922516 565389647 /nfs/dbraw/zinc/38/96/47/565389647.db2.gz CUVPAJHGCFERJO-CQSZACIVSA-N 1 0 383.945 2.598 20 0 GFADRO C[C@]1(NC(=O)c2nn(-c3cccc(Br)c3)c3c2CCC3)CC[NH2+]C1 ZINC000663009846 565393084 /nfs/dbraw/zinc/39/30/84/565393084.db2.gz LLIIBJVGTNOAGM-SFHVURJKSA-N 1 0 389.297 2.605 20 0 GFADRO CN(CCN1CCCS1(=O)=O)Cc1cccc(Br)c1Cl ZINC000663032614 565393237 /nfs/dbraw/zinc/39/32/37/565393237.db2.gz QLOAGPVZMZRXMB-UHFFFAOYSA-N 1 0 381.723 2.570 20 0 GFADRO CCN1C(=O)[C@H]2CN(Cc3cccc(Br)c3Cl)CCN2C1=O ZINC000663076676 565394179 /nfs/dbraw/zinc/39/41/79/565394179.db2.gz MPVQANRPBUAKIK-GFCCVEGCSA-N 1 0 386.677 2.571 20 0 GFADRO Cc1cc(Br)ccc1[C@H](C)[NH2+]C1CCN(S(C)(=O)=O)CC1 ZINC000641770849 565398596 /nfs/dbraw/zinc/39/85/96/565398596.db2.gz JUMXSAZYWUPKQN-LBPRGKRZSA-N 1 0 375.332 2.832 20 0 GFADRO Clc1scc(C[NH2+][C@H]2CCCN(CCN3CCOCC3)C2)c1Cl ZINC000641787524 565399482 /nfs/dbraw/zinc/39/94/82/565399482.db2.gz USHJTRVCBSAMTP-AWEZNQCLSA-N 1 0 378.369 2.941 20 0 GFADRO COc1cc(C[N@H+](C[C@@H](C)O)C2CC2)cc(I)c1OC ZINC000594615722 565402713 /nfs/dbraw/zinc/40/27/13/565402713.db2.gz PPLZHLCMUDBSHI-SNVBAGLBSA-N 1 0 391.249 2.654 20 0 GFADRO Cc1nc(C(=O)N2CCC[N@H+](C[C@@H]3CCCO3)CC2)c(Br)s1 ZINC000663252697 565403846 /nfs/dbraw/zinc/40/38/46/565403846.db2.gz QDAZWRHWCKYGPY-LBPRGKRZSA-N 1 0 388.331 2.541 20 0 GFADRO COc1cc(C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)cc(OC)c1Br ZINC000594653140 565402952 /nfs/dbraw/zinc/40/29/52/565402952.db2.gz LXBPBTAQHLQPPH-CYBMUJFWSA-N 1 0 383.286 2.680 20 0 GFADRO C[NH+](C)CCC[C@H]1CN(C(=O)Cc2ccc(F)c(Br)c2)CCO1 ZINC000620967506 565403518 /nfs/dbraw/zinc/40/35/18/565403518.db2.gz ICZZTRHRIKYXKU-AWEZNQCLSA-N 1 0 387.293 2.700 20 0 GFADRO CC[C@@H]1CN(C(=O)C(=O)N[C@H](C)c2cc(F)c(Cl)cc2Cl)CC[C@@H]1[NH3+] ZINC000642096168 565405736 /nfs/dbraw/zinc/40/57/36/565405736.db2.gz KQDLZRNYKMWBQZ-FCHSOHFDSA-N 1 0 390.286 2.896 20 0 GFADRO CC(C)[C@@H]1CN(C(=O)c2ncc(Br)cc2Br)CC[NH2+]1 ZINC000621157163 565407961 /nfs/dbraw/zinc/40/79/61/565407961.db2.gz PZOVOPJEXKIEOM-NSHDSACASA-N 1 0 391.107 2.677 20 0 GFADRO CCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000642246650 565409072 /nfs/dbraw/zinc/40/90/72/565409072.db2.gz UGVAYERSKHMKTL-YPMHNXCESA-N 1 0 379.306 2.729 20 0 GFADRO C[NH+]1CCN(C(C)(C)CNC(=O)Nc2ccc(F)cc2Br)CC1 ZINC000642690911 565416706 /nfs/dbraw/zinc/41/67/06/565416706.db2.gz OWBGDJVISVWLPO-UHFFFAOYSA-N 1 0 387.297 2.736 20 0 GFADRO CC[C@@H]1CN(C(=O)C(=O)N[C@H](C)Cc2ccc(Cl)cc2Cl)CC[C@@H]1[NH3+] ZINC000642711586 565417343 /nfs/dbraw/zinc/41/73/43/565417343.db2.gz ANXYVDMGPCANRD-HSMVNMDESA-N 1 0 386.323 2.626 20 0 GFADRO COc1cc(CNCC23CC(C2)C[NH2+]3)cc(Br)c1OC(F)F ZINC000663502592 565422432 /nfs/dbraw/zinc/42/24/32/565422432.db2.gz VXYVNMYPHSJNDU-UHFFFAOYSA-N 1 0 377.229 2.901 20 0 GFADRO C[C@@H](C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1)c1cccc(Br)c1 ZINC000643209308 565424242 /nfs/dbraw/zinc/42/42/42/565424242.db2.gz LHEHGZVARGZMRN-CRAIPNDOSA-N 1 0 394.357 2.791 20 0 GFADRO COc1cc[nH+]c(N2CCN(c3nc(C4CC4)ncc3Br)CC2)c1 ZINC000663546565 565425422 /nfs/dbraw/zinc/42/54/22/565425422.db2.gz WQRCJLCNGRHNSN-UHFFFAOYSA-N 1 0 390.285 2.847 20 0 GFADRO COC1([C@H](C)[NH2+]C[C@H](O)COc2ccc(Cl)c(Cl)c2)CCOCC1 ZINC000643257012 565427807 /nfs/dbraw/zinc/42/78/07/565427807.db2.gz KZDUTCKRUBZPSA-STQMWFEESA-N 1 0 378.296 2.907 20 0 GFADRO C[C@H](Cc1ccc(F)cc1Cl)[NH2+][C@@H]1CCO[C@]2(CCS(=O)(=O)C2)C1 ZINC000643347799 565429893 /nfs/dbraw/zinc/42/98/93/565429893.db2.gz IWFGVTUQDZBENW-SRCQZFHVSA-N 1 0 375.893 2.736 20 0 GFADRO C[NH+](C)CCC[C@H]1CN(C(=O)NCc2ccc(Br)s2)CCO1 ZINC000663694950 565431584 /nfs/dbraw/zinc/43/15/84/565431584.db2.gz ZPAITWKVQLNMFQ-LBPRGKRZSA-N 1 0 390.347 2.763 20 0 GFADRO C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000643486301 565434353 /nfs/dbraw/zinc/43/43/53/565434353.db2.gz MZWNLRZTVDBJGM-WQGACYEGSA-N 1 0 384.307 2.723 20 0 GFADRO O=C(CCn1cc(Br)cn1)Nc1ncc(C2CC[NH2+]CC2)s1 ZINC000643601777 565435428 /nfs/dbraw/zinc/43/54/28/565435428.db2.gz WGRMIGBWLBMYKL-UHFFFAOYSA-N 1 0 384.303 2.598 20 0 GFADRO Cc1cc(C(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)nn1-c1ccc(Br)cc1 ZINC000621688329 565437008 /nfs/dbraw/zinc/43/70/08/565437008.db2.gz TWBPSYLOOHTZFF-ACJLOTCBSA-N 1 0 389.297 2.897 20 0 GFADRO [NH3+][C@]12CCC[C@H]1CN(C(=O)c1nn(-c3ccc(F)cc3)cc1Br)C2 ZINC000621681634 565437412 /nfs/dbraw/zinc/43/74/12/565437412.db2.gz VMJBLNIDPYXJPY-GTNSWQLSSA-N 1 0 393.260 2.727 20 0 GFADRO COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]C[C@@H](CO)Cc1cccc(Br)c1C ZINC000594953480 565437678 /nfs/dbraw/zinc/43/76/78/565437678.db2.gz HIKBZIFIECDIRY-WMHQRMGPSA-N 1 0 384.314 2.696 20 0 GFADRO [NH3+][C@]12CCC[C@@H]1CN(C(=O)C1(c3ccc(Br)cc3)CCOCC1)C2 ZINC000621697611 565438594 /nfs/dbraw/zinc/43/85/94/565438594.db2.gz LCRSXLUTBLMQSZ-BEFAXECRSA-N 1 0 393.325 2.837 20 0 GFADRO C[C@H]1CC[N@H+](Cc2ccc(Br)cc2N2CCOCC2)C[C@@H]1CO ZINC000621736553 565439425 /nfs/dbraw/zinc/43/94/25/565439425.db2.gz CXESSKVHYJMDAM-GOEBONIOSA-N 1 0 383.330 2.736 20 0 GFADRO O=C(NCc1ccccc1Br)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000663859492 565440711 /nfs/dbraw/zinc/44/07/11/565440711.db2.gz UTZHCCMLEBHXJH-MRXNPFEDSA-N 1 0 396.329 2.845 20 0 GFADRO CS(=O)(=O)c1ccc(-c2nc(CN3C[C@@H]4CCC[C@@]4([NH3+])C3)cs2)cc1 ZINC000621782300 565441433 /nfs/dbraw/zinc/44/14/33/565441433.db2.gz ORFMTPDZAQLMNK-KBXCAEBGSA-N 1 0 377.535 2.527 20 0 GFADRO NC(=O)C1(C[NH2+][C@H]2CCc3ccc(I)cc32)CCCC1 ZINC000595009793 565441992 /nfs/dbraw/zinc/44/19/92/565441992.db2.gz SGRJROXTPYZRJB-AWEZNQCLSA-N 1 0 384.261 2.914 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)NCC[C@@H](C)[NH+](C)C ZINC000663883786 565442085 /nfs/dbraw/zinc/44/20/85/565442085.db2.gz XAVVXFDXWVPTIP-CYBMUJFWSA-N 1 0 399.333 2.726 20 0 GFADRO CC(C)COC[C@@H](O)C[NH2+][C@@H]1CCc2ccc(I)cc21 ZINC000595017250 565442442 /nfs/dbraw/zinc/44/24/42/565442442.db2.gz LAPQUORZQVWWAO-GOEBONIOSA-N 1 0 389.277 2.902 20 0 GFADRO CC(C)(C[NH2+][C@H]1CCc2ccc(I)cc21)S(C)(=O)=O ZINC000595013381 565442461 /nfs/dbraw/zinc/44/24/61/565442461.db2.gz QEPMGEWWYJTHSN-ZDUSSCGKSA-N 1 0 393.290 2.691 20 0 GFADRO Cc1nc(C)c(Br)c(NC[C@@H]2CS(=O)(=O)c3ccccc32)n1 ZINC000663949997 565445368 /nfs/dbraw/zinc/44/53/68/565445368.db2.gz FVECEDPDVFRZDF-LLVKDONJSA-N 1 0 382.283 2.839 20 0 GFADRO CCN1C[C@@H](C[NH2+][C@@H]2CCc3ccc(I)cc32)CC1=O ZINC000595044837 565445722 /nfs/dbraw/zinc/44/57/22/565445722.db2.gz FYWGYTQPVAZTCL-IAQYHMDHSA-N 1 0 384.261 2.737 20 0 GFADRO OC[C@H](C[NH2+][C@H]1CCc2ccc(I)cc21)[C@H]1CCOC1 ZINC000595054396 565446080 /nfs/dbraw/zinc/44/60/80/565446080.db2.gz NAFKUXMUBWOILJ-XEZPLFJOSA-N 1 0 387.261 2.513 20 0 GFADRO COC(=O)c1cc(Cl)ccc1S(=O)(=O)N1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000595118838 565450228 /nfs/dbraw/zinc/45/02/28/565450228.db2.gz WLIYMTJQDXUIBB-IUODEOHRSA-N 1 0 388.917 2.655 20 0 GFADRO COc1cc2[nH+]ccc(NC[C@H](OC)[C@@H]3CCOC3)c2cc1Br ZINC000664156932 565453372 /nfs/dbraw/zinc/45/33/72/565453372.db2.gz FPJKFWUBTUHUAV-DIFFPNOSSA-N 1 0 381.270 2.891 20 0 GFADRO Cc1cc(C(=O)NC2CC([NH+](C)C)C2)nn1-c1ccc(Br)cc1 ZINC000622009032 565454211 /nfs/dbraw/zinc/45/42/11/565454211.db2.gz HJIZGYSXXUANMQ-UHFFFAOYSA-N 1 0 377.286 2.766 20 0 GFADRO C[C@@H](Cc1ccc(F)c(Br)c1)NC(=O)[C@@H]1C[NH2+]CCC1(F)F ZINC000644055279 565456270 /nfs/dbraw/zinc/45/62/70/565456270.db2.gz IEBSYFXGKKQZKG-ONGXEEELSA-N 1 0 379.220 2.880 20 0 GFADRO CCN(C(=O)NC[C@H](C)Oc1ccc(Br)cc1)[C@@H]1CC[N@H+](C)C1 ZINC000664255591 565456723 /nfs/dbraw/zinc/45/67/23/565456723.db2.gz OMXGLJSJPWFWDE-DZGCQCFKSA-N 1 0 384.318 2.952 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)N1CC[NH2+]CC1(C)C ZINC000644075829 565457682 /nfs/dbraw/zinc/45/76/82/565457682.db2.gz NIGUCIVAAPRDOM-CQSZACIVSA-N 1 0 384.567 2.561 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)c2nc(C3CC3)ncc2Br)C1 ZINC000664291881 565457758 /nfs/dbraw/zinc/45/77/58/565457758.db2.gz MZGSHLUYARUWPL-NSHDSACASA-N 1 0 381.318 2.967 20 0 GFADRO CCOC(=O)c1c(NC(=O)NCC23CC(C2)C[NH2+]3)sc2c1CCCS2 ZINC000595242655 565457892 /nfs/dbraw/zinc/45/78/92/565457892.db2.gz OFJAQJGYLWDVBB-UHFFFAOYSA-N 1 0 381.523 2.837 20 0 GFADRO O=C(NCCSCC(F)(F)F)N[C@H]1C[NH2+]CC[C@H]1c1cccc(F)c1 ZINC000595264415 565460685 /nfs/dbraw/zinc/46/06/85/565460685.db2.gz MXKIEUJODMKLTG-KBPBESRZSA-N 1 0 379.423 2.866 20 0 GFADRO CN(Cc1ccc(Br)cc1Cl)C(=O)C[NH2+]C[C@H]1CCCO1 ZINC000644155206 565461278 /nfs/dbraw/zinc/46/12/78/565461278.db2.gz FZPGRNQNLVLWAN-CYBMUJFWSA-N 1 0 375.694 2.830 20 0 GFADRO O=C(N[C@H]1CC12CC[NH2+]CC2)[C@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1 ZINC000644146607 565461711 /nfs/dbraw/zinc/46/17/11/565461711.db2.gz YJWXPIQRDRSIHL-NHYWBVRUSA-N 1 0 382.291 2.605 20 0 GFADRO C[N@H+]1C[C@H]2[C@@H](CCN2S(=O)(=O)c2cc(Cl)c(Br)cc2F)C1 ZINC000644301129 565471114 /nfs/dbraw/zinc/47/11/14/565471114.db2.gz SAIJJKJTFDHINA-UFBFGSQYSA-N 1 0 397.697 2.566 20 0 GFADRO CC[N@H+](CCNC(=O)N1C[C@H](C)O[C@](C)(C(F)F)C1)CCC(F)(F)F ZINC000664747051 565476575 /nfs/dbraw/zinc/47/65/75/565476575.db2.gz LMYFZESPHAVXCH-FZMZJTMJSA-N 1 0 375.382 2.715 20 0 GFADRO O[C@H](C[NH2+][C@@H]1CCN(c2ccccn2)C1)COc1ccc(Cl)cc1Cl ZINC000644608320 565483948 /nfs/dbraw/zinc/48/39/48/565483948.db2.gz APOJKPPYNSPILJ-HUUCEWRRSA-N 1 0 382.291 2.997 20 0 GFADRO CN1Cc2ccccc2[C@@H]([NH2+]C[C@H](O)COc2ccc(Br)cc2)C1 ZINC000644609802 565485307 /nfs/dbraw/zinc/48/53/07/565485307.db2.gz LJAVRTVPKLPYKV-LPHOPBHVSA-N 1 0 391.309 2.965 20 0 GFADRO Cc1cccc(OC[C@H](O)C[NH2+]CCCCn2cc(Br)cn2)c1 ZINC000644635954 565486489 /nfs/dbraw/zinc/48/64/89/565486489.db2.gz QEVWVQCNLMEKSV-MRXNPFEDSA-N 1 0 382.302 2.764 20 0 GFADRO CC(=O)N1CCC[C@@H](C[NH2+]C[C@@H](O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000644636387 565486821 /nfs/dbraw/zinc/48/68/21/565486821.db2.gz GPWBRZCESGZECH-UONOGXRCSA-N 1 0 375.296 2.581 20 0 GFADRO Cc1cc(NC(=O)CC[NH2+]CCc2ccc(Br)cc2Cl)no1 ZINC000644655486 565487125 /nfs/dbraw/zinc/48/71/25/565487125.db2.gz GHNXYNSGTLRYDB-UHFFFAOYSA-N 1 0 386.677 3.560 20 0 GFADRO O=C(CC[NH2+]C[C@@H](N1CCOCC1)C(F)(F)F)Nc1cccc(Cl)c1 ZINC000644646260 565487804 /nfs/dbraw/zinc/48/78/04/565487804.db2.gz HEXLXSHYLDUXCO-CQSZACIVSA-N 1 0 379.810 2.521 20 0 GFADRO C[C@H](CCNC(=O)NCCC(=O)Nc1cc(Cl)cc(Cl)c1)[NH+](C)C ZINC000664968218 565487911 /nfs/dbraw/zinc/48/79/11/565487911.db2.gz NUBWNYHJVGELSL-LLVKDONJSA-N 1 0 375.300 2.961 20 0 GFADRO C[NH+]1CCC(N(Cc2ccco2)C(=O)c2cc(Br)c[nH]c2=O)CC1 ZINC000623018577 565490437 /nfs/dbraw/zinc/49/04/37/565490437.db2.gz NPFIBTRCEXEJRA-UHFFFAOYSA-N 1 0 394.269 2.879 20 0 GFADRO COC(=O)c1ccc(CN2CCO[C@H](CCC[NH+](C)C)C2)c(Br)c1 ZINC000595905322 565497534 /nfs/dbraw/zinc/49/75/34/565497534.db2.gz BQOKLCZHLYWHOJ-MRXNPFEDSA-N 1 0 399.329 2.778 20 0 GFADRO [NH3+]C1(CNC(=O)CCC[S@@](=O)c2ccc(Br)cc2)CCCC1 ZINC000595941042 565500864 /nfs/dbraw/zinc/50/08/64/565500864.db2.gz KTSKCYSTQRJDSF-JOCHJYFZSA-N 1 0 387.343 2.725 20 0 GFADRO Cc1sc2nc(CS[C@@H](C)C(=O)N(C)CC(C)(C)[NH3+])[nH]c(=O)c2c1C ZINC000595948975 565501187 /nfs/dbraw/zinc/50/11/87/565501187.db2.gz WFHMVKFWRISYFJ-NSHDSACASA-N 1 0 382.555 2.831 20 0 GFADRO CC(C)[C@H]([NH3+])CCNC(=O)CCC[S@@](=O)c1ccc(Br)cc1 ZINC000595950721 565502043 /nfs/dbraw/zinc/50/20/43/565502043.db2.gz KTSFOQOFBWFCLI-IVZQSRNASA-N 1 0 389.359 2.827 20 0 GFADRO CCC[C@@](C)([NH3+])C(=O)N1Cc2sc(C(=O)OC)c(Br)c2C1 ZINC000595985678 565503405 /nfs/dbraw/zinc/50/34/05/565503405.db2.gz AHFIYZCWIOEFJY-CQSZACIVSA-N 1 0 375.288 2.657 20 0 GFADRO COC(=O)c1sc2c(c1Br)CN(C(=O)[C@H]1C[C@@]13CCC[NH2+]C3)C2 ZINC000595988859 565503419 /nfs/dbraw/zinc/50/34/19/565503419.db2.gz DXLIBSAUABCHMY-QLJPJBMISA-N 1 0 399.310 2.529 20 0 GFADRO COC(=O)[C@H](NC(=O)C[C@@H](C)C1CC[NH2+]CC1)c1ccccc1Br ZINC000595970802 565503821 /nfs/dbraw/zinc/50/38/21/565503821.db2.gz NUQJOSOSDRKHKR-SJKOYZFVSA-N 1 0 397.313 2.805 20 0 GFADRO COC(=O)c1sc2c(c1Br)CN(C(=O)CC[C@@H]1CCC[NH2+]1)C2 ZINC000596005190 565505791 /nfs/dbraw/zinc/50/57/91/565505791.db2.gz VTZQSHWKANPTHC-VIFPVBQESA-N 1 0 387.299 2.672 20 0 GFADRO COC(=O)c1sc2c(c1Br)CN(C(=O)C1([NH3+])CC3(CCC3)C1)C2 ZINC000596003813 565506011 /nfs/dbraw/zinc/50/60/11/565506011.db2.gz SJRLPVDJPPFDMK-UHFFFAOYSA-N 1 0 399.310 2.801 20 0 GFADRO Cc1cc(C[NH2+]CCNC(=O)Cc2cccc(F)c2)ncc1Br ZINC000623386871 565507232 /nfs/dbraw/zinc/50/72/32/565507232.db2.gz HPGNYPYPMKQBBZ-UHFFFAOYSA-N 1 0 380.261 2.740 20 0 GFADRO COC(=O)[C@@H](NC1CC[NH+]([C@H]2CCOC2)CC1)c1cccc(Br)c1 ZINC000596046520 565509987 /nfs/dbraw/zinc/50/99/87/565509987.db2.gz KNBGFZSUWHRBRD-IRXDYDNUSA-N 1 0 397.313 2.506 20 0 GFADRO C[C@H](CCO)C[NH2+]Cc1cc(Cl)cc(Cl)c1OCCN1CCOCC1 ZINC000623436273 565510776 /nfs/dbraw/zinc/51/07/76/565510776.db2.gz LFRZZVDDBGEJAE-CQSZACIVSA-N 1 0 391.339 2.813 20 0 GFADRO CC(C)OCC[C@@H](O)C[NH2+]CCc1ccc(I)cc1 ZINC000596065012 565511778 /nfs/dbraw/zinc/51/17/78/565511778.db2.gz NBLXCCIMGRCROM-OAHLLOKOSA-N 1 0 377.266 2.599 20 0 GFADRO COC1CC[NH+](CCNC(=O)NCc2cc(C)ccc2Br)CC1 ZINC000665846851 565514327 /nfs/dbraw/zinc/51/43/27/565514327.db2.gz VURULCJVMOFOKK-UHFFFAOYSA-N 1 0 384.318 2.668 20 0 GFADRO OCCCC[NH2+]Cc1cc(Cl)cc(Cl)c1OCCN1CCOCC1 ZINC000623509786 565515288 /nfs/dbraw/zinc/51/52/88/565515288.db2.gz RZFKHIZEBPDYPQ-UHFFFAOYSA-N 1 0 377.312 2.567 20 0 GFADRO CCC(=O)N[C@H]1CCC[N@H+](C[C@H](O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000623511116 565515436 /nfs/dbraw/zinc/51/54/36/565515436.db2.gz CXCRNGAUMSOZMV-STQMWFEESA-N 1 0 375.296 2.724 20 0 GFADRO CO[C@H](C)C[NH2+]Cc1cc(Cl)cc(Cl)c1OCCN1CCOCC1 ZINC000623503555 565515921 /nfs/dbraw/zinc/51/59/21/565515921.db2.gz CQCLUWYGHFHUMW-CYBMUJFWSA-N 1 0 377.312 2.829 20 0 GFADRO CC[N@@H+]1CC[C@H]2OCCN(C[C@@H](O)COc3ccc(Cl)c(Cl)c3)[C@H]2C1 ZINC000645177966 565515938 /nfs/dbraw/zinc/51/59/38/565515938.db2.gz LYTVYVWHSAHANN-JEBQAFNWSA-N 1 0 389.323 2.528 20 0 GFADRO C[C@@H](NC(=O)N1CN(CC[NH+](C)C)C(=O)[C@H]1C)c1cccc(Cl)c1Cl ZINC000645229375 565518031 /nfs/dbraw/zinc/51/80/31/565518031.db2.gz BERNUPFJLHKWFA-VXGBXAGGSA-N 1 0 387.311 2.816 20 0 GFADRO COc1ccc(Br)cc1C1(NC(=O)NCC[N@H+](C)C2CC2)CC1 ZINC000645284726 565520395 /nfs/dbraw/zinc/52/03/95/565520395.db2.gz ASKWPODUPSJCEM-UHFFFAOYSA-N 1 0 382.302 2.840 20 0 GFADRO CN(C)c1ccc(C[NH2+][C@@]2(CO)CCc3cc(Br)ccc3C2)cn1 ZINC000623644955 565522946 /nfs/dbraw/zinc/52/29/46/565522946.db2.gz HXZJBJHOVVGOPC-IBGZPJMESA-N 1 0 390.325 2.920 20 0 GFADRO COc1cccc2c1OC[C@H]([NH2+][C@@H](C)Cn1cc(Br)ccc1=O)C2 ZINC000666087348 565523008 /nfs/dbraw/zinc/52/30/08/565523008.db2.gz GFZZMPUKIDZRFU-SWLSCSKDSA-N 1 0 393.281 2.601 20 0 GFADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@@H](C)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000666090280 565523159 /nfs/dbraw/zinc/52/31/59/565523159.db2.gz UQAKTEYIWCSVJY-MNOVXSKESA-N 1 0 391.269 2.932 20 0 GFADRO C[C@@H]([NH2+][C@H]1CCN(c2ccc3nncn3n2)C1)c1ccc(Br)s1 ZINC000623651631 565523452 /nfs/dbraw/zinc/52/34/52/565523452.db2.gz QXZBINTWXGTOPI-MNOVXSKESA-N 1 0 393.314 2.878 20 0 GFADRO CC[NH+](CC)CCNS(=O)(=O)Cc1ccc(Br)cc1Cl ZINC000645419882 565525025 /nfs/dbraw/zinc/52/50/25/565525025.db2.gz HLGKHHLXQAMCAB-UHFFFAOYSA-N 1 0 383.739 2.864 20 0 GFADRO COc1ncc(Br)cc1CNC(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000623736742 565528048 /nfs/dbraw/zinc/52/80/48/565528048.db2.gz HIAUHYCNCFQBBC-LLVKDONJSA-N 1 0 387.322 2.628 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+][C@@H]1CO[C@@H](C2CC2)C1 ZINC000623754858 565529533 /nfs/dbraw/zinc/52/95/33/565529533.db2.gz UVFIPFLPCUQWAV-XNJJOIOASA-N 1 0 397.313 2.620 20 0 GFADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)NCc3cc(Cl)cc(Cl)c3)C2)CC1 ZINC000596655843 565531776 /nfs/dbraw/zinc/53/17/76/565531776.db2.gz BWHBHFPKOARVQK-QGZVFWFLSA-N 1 0 385.339 2.915 20 0 GFADRO C[NH+](C)C[C@H]1CCN(S(=O)(=O)c2cc(Cl)ccc2OC(F)(F)F)C1 ZINC000645537228 565536034 /nfs/dbraw/zinc/53/60/34/565536034.db2.gz BIKPRSIFRQWTGF-SNVBAGLBSA-N 1 0 386.823 2.811 20 0 GFADRO CCOCCOC[C@@H](O)C[NH2+][C@@H](C)c1cc(F)c(Br)cc1F ZINC000623970196 565537052 /nfs/dbraw/zinc/53/70/52/565537052.db2.gz HUNVGIURYARFLC-QWRGUYRKSA-N 1 0 382.245 2.792 20 0 GFADRO C[C@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+]Cc1nnc2n1CCOC2 ZINC000623970501 565537676 /nfs/dbraw/zinc/53/76/76/565537676.db2.gz QIZZASZTOUBJMR-SECBINFHSA-N 1 0 375.782 2.596 20 0 GFADRO C[C@@H]([NH2+]Cc1c(C(F)(F)F)cnn1C)c1ccc(NS(C)(=O)=O)cc1 ZINC000624053061 565540804 /nfs/dbraw/zinc/54/08/04/565540804.db2.gz XUKGUYGHGOLJQD-SNVBAGLBSA-N 1 0 376.404 2.661 20 0 GFADRO CC(C)[C@H](Cc1ccc(Br)cc1)[NH2+]CCCN1CCC[C@H]1C(N)=O ZINC000624086845 565542457 /nfs/dbraw/zinc/54/24/57/565542457.db2.gz ZGDSGJANQYXYKF-ROUUACIJSA-N 1 0 396.373 2.946 20 0 GFADRO C[C@H](O)C[N@@H+]1CCN(c2nccc(-c3ccc(Br)cc3)n2)[C@H](C)C1 ZINC000624119229 565543489 /nfs/dbraw/zinc/54/34/89/565543489.db2.gz ZWYHATFPRUMKAU-KGLIPLIRSA-N 1 0 391.313 2.797 20 0 GFADRO O=C(NCC/C=C\c1ccc(Br)cc1)NCC[N@@H+]1CCCOCC1 ZINC000624115499 565543773 /nfs/dbraw/zinc/54/37/73/565543773.db2.gz XLQCONFBYWAXQO-RJRFIUFISA-N 1 0 396.329 2.874 20 0 GFADRO C[C@@H]([NH2+][C@H]1CCN(c2ccc3nncn3n2)C1)c1cccc(Br)c1 ZINC000624113537 565543933 /nfs/dbraw/zinc/54/39/33/565543933.db2.gz HXDGCUYHBUMTHE-DOMZBBRYSA-N 1 0 387.285 2.816 20 0 GFADRO CC(C)Sc1ccc(Cl)cc1NC(=O)C(=O)N1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC000645618447 565544983 /nfs/dbraw/zinc/54/49/83/565544983.db2.gz KRLYJIXOZCHQJH-WFASDCNBSA-N 1 0 381.929 2.942 20 0 GFADRO C[C@@H]1CN(C(=O)Nc2ccc(I)cc2F)C[C@H](C)[N@H+]1C ZINC000597020210 565547465 /nfs/dbraw/zinc/54/74/65/565547465.db2.gz HKXLIDSQOSSMOI-AOOOYVTPSA-N 1 0 391.228 2.987 20 0 GFADRO CC[C@@H]1C[N@H+](C)CCN1C(=O)Nc1ccc(I)cc1F ZINC000597023512 565548549 /nfs/dbraw/zinc/54/85/49/565548549.db2.gz XGCPDPXRZVNQQL-LLVKDONJSA-N 1 0 391.228 2.988 20 0 GFADRO COC(=O)c1ccc(C[NH2+][C@H]2CCCN(CC(F)(F)F)C2=O)cc1Cl ZINC000597068343 565550737 /nfs/dbraw/zinc/55/07/37/565550737.db2.gz YKRIUSGHBWMVRD-ZDUSSCGKSA-N 1 0 378.778 2.770 20 0 GFADRO COC(=O)[C@@H]1C[N@H+](Cc2cnc(C)n2C)C[C@H]1c1ccc(Br)cc1 ZINC000597154297 565552712 /nfs/dbraw/zinc/55/27/12/565552712.db2.gz BHFDFMRLBOPWLI-DLBZAZTESA-N 1 0 392.297 2.880 20 0 GFADRO CCCOc1ccc(Br)cc1S(=O)(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000624404350 565555556 /nfs/dbraw/zinc/55/55/56/565555556.db2.gz NRSKVZSXLSDPRP-WCQYABFASA-N 1 0 391.331 2.657 20 0 GFADRO C[C@@H]1[NH2+]CC[C@H]1NS(=O)(=O)c1cc(Cl)c(Cl)cc1Br ZINC000624414185 565556998 /nfs/dbraw/zinc/55/69/98/565556998.db2.gz BGJOURILZOWGOX-QUBYGPBYSA-N 1 0 388.114 2.785 20 0 GFADRO Cc1nccc(NC(=O)NC[C@H]2CC[N@@H+]2Cc2ccccc2)c1Br ZINC000666837118 565558644 /nfs/dbraw/zinc/55/86/44/565558644.db2.gz LFJHKVWITVIWAN-OAHLLOKOSA-N 1 0 389.297 2.970 20 0 GFADRO Cc1cc(I)cc(C(=O)N2CCC3(C[NH+](C)C3)C2)c1C ZINC000597571865 565564808 /nfs/dbraw/zinc/56/48/08/565564808.db2.gz JCPAIIZRXFYIST-UHFFFAOYSA-N 1 0 384.261 2.686 20 0 GFADRO Cc1ccc(NC(=O)C(=O)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)cc1Br ZINC000645819752 565565143 /nfs/dbraw/zinc/56/51/43/565565143.db2.gz UMVBYRVFEXUQOA-SFHVURJKSA-N 1 0 394.313 2.640 20 0 GFADRO Cc1ccc(NC(=O)C(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)cc1Br ZINC000645819751 565565349 /nfs/dbraw/zinc/56/53/49/565565349.db2.gz UMVBYRVFEXUQOA-GOSISDBHSA-N 1 0 394.313 2.640 20 0 GFADRO COc1ncc(Br)cc1CNC(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000624632882 565568923 /nfs/dbraw/zinc/56/89/23/565568923.db2.gz RQRFEYNJAXPUOK-HNNXBMFYSA-N 1 0 397.317 2.623 20 0 GFADRO COCC[NH+]1CCC(NC(=O)[C@H]2[C@@H]3c4cccc(Br)c4C[C@H]23)CC1 ZINC000624636154 565568942 /nfs/dbraw/zinc/56/89/42/565568942.db2.gz PBYCWNDNXGQRRJ-CGTJXYLNSA-N 1 0 393.325 2.562 20 0 GFADRO CN1CCOC[C@H]1CNC(=O)N1CCC[C@H]1c1cccc(Br)c1 ZINC000624737670 565573914 /nfs/dbraw/zinc/57/39/14/565573914.db2.gz KLCABYLHAHBQGW-CVEARBPZSA-N 1 0 382.302 2.626 20 0 GFADRO CN(CC1C[NH+](C)C1)C(=O)Nc1ccn(-c2ccc(Br)cc2)n1 ZINC000667147157 565574018 /nfs/dbraw/zinc/57/40/18/565574018.db2.gz YCNMUPOIIBKVBH-UHFFFAOYSA-N 1 0 378.274 2.660 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)Cc1ccccc1I ZINC000597856795 565578670 /nfs/dbraw/zinc/57/86/70/565578670.db2.gz AGWMOWNMSDORTP-CYBMUJFWSA-N 1 0 386.277 2.823 20 0 GFADRO O[C@@H](COc1cc(F)cc(Br)c1)C[N@@H+]1CCOC[C@@H]1C1CCC1 ZINC000646059041 565584891 /nfs/dbraw/zinc/58/48/91/565584891.db2.gz AUHVSQAXLPLCQY-NVXWUHKLSA-N 1 0 388.277 2.829 20 0 GFADRO CCCC[N@H+](C)CCNS(=O)(=O)c1c(OC)cccc1OC(F)(F)F ZINC000624968997 565586959 /nfs/dbraw/zinc/58/69/59/565586959.db2.gz XAMZQMCEAAUVMV-UHFFFAOYSA-N 1 0 384.420 2.604 20 0 GFADRO C[C@H](CCNC(=O)[C@H](C)Oc1ccc(I)cc1)[NH+](C)C ZINC000597992847 565586951 /nfs/dbraw/zinc/58/69/51/565586951.db2.gz NXCLPQNBVLBGMP-NEPJUHHUSA-N 1 0 390.265 2.515 20 0 GFADRO C[C@@H]([NH3+])C[C@H](C)NC(=O)N1CCN(CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000646214259 565590696 /nfs/dbraw/zinc/59/06/96/565590696.db2.gz QDGAZJRFXQSPMT-KGLIPLIRSA-N 1 0 387.355 2.989 20 0 GFADRO Cc1cc(Br)cc(Cl)c1NC(=O)C(=O)N1CCC(C)([NH3+])CC1 ZINC000667513205 565592553 /nfs/dbraw/zinc/59/25/53/565592553.db2.gz GAILDHDLKZRVLI-UHFFFAOYSA-N 1 0 388.693 2.689 20 0 GFADRO COc1ccc(NC(=O)N2CCOC3(CC[NH+](C)CC3)C2)cc1Br ZINC000646271562 565592906 /nfs/dbraw/zinc/59/29/06/565592906.db2.gz LQOJRGKKZCVQAV-UHFFFAOYSA-N 1 0 398.301 2.786 20 0 GFADRO CC[C@@H]1CN(C(=O)C(=O)Nc2cc(Cl)ccc2C(F)(F)F)CC[C@H]1[NH3+] ZINC000667546815 565593541 /nfs/dbraw/zinc/59/35/41/565593541.db2.gz RXWQMPFZUWZKGQ-BXKDBHETSA-N 1 0 377.794 2.883 20 0 GFADRO CC[C@@H]1CN(C(=O)C(=O)Nc2cccc(Cl)c2Br)CC[C@H]1[NH3+] ZINC000667550433 565594403 /nfs/dbraw/zinc/59/44/03/565594403.db2.gz MFWMSJSFMMVFOR-MWLCHTKSSA-N 1 0 388.693 2.627 20 0 GFADRO CC[C@H]1CN(C(=O)C(=O)Nc2cc(C)c(Br)c(C)c2)CC[C@@H]1[NH3+] ZINC000667550146 565594906 /nfs/dbraw/zinc/59/49/06/565594906.db2.gz GQAZJFSFWIBNPF-JSGCOSHPSA-N 1 0 382.302 2.590 20 0 GFADRO CC[C@H]1CN(C(=O)C(=O)Nc2ccc(C(F)(F)F)cc2Cl)CC[C@@H]1[NH3+] ZINC000667552176 565594910 /nfs/dbraw/zinc/59/49/10/565594910.db2.gz UENGDDYKFRNIHF-CABZTGNLSA-N 1 0 377.794 2.883 20 0 GFADRO C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)Nc1ccc2nccnc2c1Br ZINC000667590687 565595209 /nfs/dbraw/zinc/59/52/09/565595209.db2.gz KZEMTORLQROEOK-JOYOIKCWSA-N 1 0 394.273 2.627 20 0 GFADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)Cc1cc(Cl)cc(Cl)c1 ZINC000625086347 565597500 /nfs/dbraw/zinc/59/75/00/565597500.db2.gz XQCHEKYEJNTQNU-INIZCTEOSA-N 1 0 386.323 2.595 20 0 GFADRO CCCN(C(=O)Nc1cccc(C(=O)NC)c1Br)[C@@H]1CC[N@H+](C)C1 ZINC000646401464 565601038 /nfs/dbraw/zinc/60/10/38/565601038.db2.gz JOMSASVQYJBCLA-GFCCVEGCSA-N 1 0 397.317 2.757 20 0 GFADRO COc1ncc(C(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc1Br ZINC000646385081 565601117 /nfs/dbraw/zinc/60/11/17/565601117.db2.gz WCCBINOJYZKKBC-QWHCGFSZSA-N 1 0 382.302 2.705 20 0 GFADRO Cn1nc2cc(Br)ccc2c1C(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000646386323 565601262 /nfs/dbraw/zinc/60/12/62/565601262.db2.gz UQMXUQASDNMYPV-OLZOCXBDSA-N 1 0 391.313 2.798 20 0 GFADRO Cc1c(Br)cncc1CN1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000667683609 565601754 /nfs/dbraw/zinc/60/17/54/565601754.db2.gz WINSWNKPFLZKBD-KDOFPFPSSA-N 1 0 381.362 2.610 20 0 GFADRO C[C@H](Oc1ccccc1Br)C(=O)N1CCOC[C@H]1[C@@H]1CCC[N@@H+]1C ZINC000646455471 565603211 /nfs/dbraw/zinc/60/32/11/565603211.db2.gz OOQLGQQYPRECIR-BPUTZDHNSA-N 1 0 397.313 2.538 20 0 GFADRO C[C@H](Oc1cccc(Br)c1)C(=O)N1CCOC[C@@H]1[C@@H]1CCC[N@@H+]1C ZINC000646445552 565604105 /nfs/dbraw/zinc/60/41/05/565604105.db2.gz SVRMFPMNWLUGDG-RRQGHBQHSA-N 1 0 397.313 2.538 20 0 GFADRO C[N@@H+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)CCc1cc(F)ccc1Br ZINC000646447333 565604119 /nfs/dbraw/zinc/60/41/19/565604119.db2.gz TUPXISVADUWLHC-SJORKVTESA-N 1 0 399.304 2.842 20 0 GFADRO C[C@H](Oc1cccc(Br)c1)C(=O)N1CCOC[C@H]1[C@H]1CCC[N@@H+]1C ZINC000646445553 565604155 /nfs/dbraw/zinc/60/41/55/565604155.db2.gz SVRMFPMNWLUGDG-XKQJLSEDSA-N 1 0 397.313 2.538 20 0 GFADRO C[N@@H+]1CCC[C@H]1[C@H]1COCCN1C(=O)CCc1cc(F)ccc1Br ZINC000646447330 565604205 /nfs/dbraw/zinc/60/42/05/565604205.db2.gz TUPXISVADUWLHC-DLBZAZTESA-N 1 0 399.304 2.842 20 0 GFADRO CC[NH+](CC)C[C@@H](C)NC(=O)N1CCC(n2cc(Br)cn2)CC1 ZINC000598266971 565605627 /nfs/dbraw/zinc/60/56/27/565605627.db2.gz HNLVZPVKRUYWCR-CYBMUJFWSA-N 1 0 386.338 2.722 20 0 GFADRO O=C(NCCOc1ccc(Br)cc1)Nc1cnc2c(c1)C[NH2+]CC2 ZINC000667794003 565605925 /nfs/dbraw/zinc/60/59/25/565605925.db2.gz VQFRYBGCLLTQCK-UHFFFAOYSA-N 1 0 391.269 2.690 20 0 GFADRO [NH3+]C1(CC(=O)N2CCN(Cc3cc(Br)ccc3F)CC2)CCC1 ZINC000646557588 565607756 /nfs/dbraw/zinc/60/77/56/565607756.db2.gz LMEFDSHEXHTTKL-UHFFFAOYSA-N 1 0 384.293 2.504 20 0 GFADRO CCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(F)c(I)c2)C1 ZINC000598343433 565610808 /nfs/dbraw/zinc/61/08/08/565610808.db2.gz VCAWNZIZUIGWMM-LLVKDONJSA-N 1 0 376.213 2.644 20 0 GFADRO O=C(c1cc(Br)cc2[nH]c(=O)[nH]c21)N1CC[NH+](C2CCCC2)CC1 ZINC000646642588 565612044 /nfs/dbraw/zinc/61/20/44/565612044.db2.gz BLJUBOVIONRYSR-UHFFFAOYSA-N 1 0 393.285 2.731 20 0 GFADRO [NH3+]C1CCC(NC(=O)[C@@H](c2ccc(Br)cc2)N2CCCC2)CC1 ZINC000646664855 565613178 /nfs/dbraw/zinc/61/31/78/565613178.db2.gz SVTNBJXCVUXBCY-OFLPRAFFSA-N 1 0 380.330 2.972 20 0 GFADRO CC[C@@H]1CN(C(=O)c2ccc(I)c(F)c2)C[C@H](C)[NH2+]1 ZINC000598532473 565623447 /nfs/dbraw/zinc/62/34/47/565623447.db2.gz ZYHWQHWGHYGOBC-GXSJLCMTSA-N 1 0 376.213 2.643 20 0 GFADRO C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCN(c4ccc(Cl)c(Cl)c4)C3=O)[C@@H]2C1 ZINC000646917945 565625137 /nfs/dbraw/zinc/62/51/37/565625137.db2.gz KDHDHRLGBIICHA-DETPVDSQSA-N 1 0 382.291 2.509 20 0 GFADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)Nc1ccc(F)c(Br)c1F ZINC000668045230 565625530 /nfs/dbraw/zinc/62/55/30/565625530.db2.gz LNUXMZKLKCOHGU-JTQLQIEISA-N 1 0 392.244 2.960 20 0 GFADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)Nc1ccc(F)c(Br)c1F ZINC000668045231 565625917 /nfs/dbraw/zinc/62/59/17/565625917.db2.gz LNUXMZKLKCOHGU-SNVBAGLBSA-N 1 0 392.244 2.960 20 0 GFADRO O=C(NC[C@H]1CCC[N@H+](CC2CC2)C1)c1cncc(I)c1 ZINC000598563000 565626572 /nfs/dbraw/zinc/62/65/72/565626572.db2.gz YUMQYQCKUVEHCH-CYBMUJFWSA-N 1 0 399.276 2.538 20 0 GFADRO CC[C@@H]1CN(C(=O)c2nn(-c3ccc(F)cc3)cc2Br)CC[C@H]1[NH3+] ZINC000647008940 565632344 /nfs/dbraw/zinc/63/23/44/565632344.db2.gz WPXDXXYTXXTJIP-IAQYHMDHSA-N 1 0 395.276 2.973 20 0 GFADRO O=C(N[C@H]1CCN(c2ccc(Br)cc2)C1)[C@H]1CCc2nc[nH]c2C1 ZINC000668190060 565632651 /nfs/dbraw/zinc/63/26/51/565632651.db2.gz YGMMYXHKHFKNQX-JSGCOSHPSA-N 1 0 389.297 2.672 20 0 GFADRO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)CSc1nc(C)nc2sc(C)c(C)c21 ZINC000647033987 565632985 /nfs/dbraw/zinc/63/29/85/565632985.db2.gz PZQWMJYUJCXCRW-STQMWFEESA-N 1 0 382.530 2.867 20 0 GFADRO [NH3+]CC[C@H]1CCCN(C(=O)CNC(=O)c2sc3ccccc3c2Cl)C1 ZINC000647026690 565633119 /nfs/dbraw/zinc/63/31/19/565633119.db2.gz FLPXNJSSIPMLAJ-GFCCVEGCSA-N 1 0 379.913 2.872 20 0 GFADRO O=C(CC[NH+]1CCC(N2CCOCC2)CC1)Nc1cccc(Br)c1 ZINC000625546343 565638055 /nfs/dbraw/zinc/63/80/55/565638055.db2.gz QTDLGHFXRRRFSJ-UHFFFAOYSA-N 1 0 396.329 2.574 20 0 GFADRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)CCc3ccc(Br)cc3F)[C@H]2C1 ZINC000647219050 565647111 /nfs/dbraw/zinc/64/71/11/565647111.db2.gz PEROHFOVXKJOER-DLBZAZTESA-N 1 0 399.304 2.842 20 0 GFADRO COc1ccc(CCC(=O)N[C@H]2CC[N@H+](CC3CC3)C2)c(Br)c1 ZINC000668457761 565647360 /nfs/dbraw/zinc/64/73/60/565647360.db2.gz OSWGKRFPYOZMDB-HNNXBMFYSA-N 1 0 381.314 2.991 20 0 GFADRO O=S(=O)(Cc1cccc(Br)c1)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647238911 565648795 /nfs/dbraw/zinc/64/87/95/565648795.db2.gz YDEDBTCAHBLXIW-ZBFHGGJFSA-N 1 0 387.343 2.743 20 0 GFADRO CO[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+][C@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000668507551 565651004 /nfs/dbraw/zinc/65/10/04/565651004.db2.gz GKWSZZPSSVJAGP-YHUYYLMFSA-N 1 0 377.428 2.743 20 0 GFADRO CC[C@H]1CN(S(=O)(=O)Cc2ccc(Br)cc2Cl)CC[C@@H]1[NH3+] ZINC000647270113 565651576 /nfs/dbraw/zinc/65/15/76/565651576.db2.gz NPQBKJJGURKDPS-HZMBPMFUSA-N 1 0 395.750 2.992 20 0 GFADRO CC[C@@H]1CN(S(=O)(=O)c2cc(Br)ccc2Cl)CC[C@@H]1[NH3+] ZINC000647269087 565652005 /nfs/dbraw/zinc/65/20/05/565652005.db2.gz LURTYTBQZNRXCF-SKDRFNHKSA-N 1 0 381.723 2.850 20 0 GFADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[N@H+](C)CC1=CCCOC1 ZINC000668568849 565655205 /nfs/dbraw/zinc/65/52/05/565655205.db2.gz MEFYCGFOIHPECG-CYBMUJFWSA-N 1 0 397.313 2.741 20 0 GFADRO C[C@@]1(C[NH3+])CCN(S(=O)(=O)Cc2ccc(Br)cc2Cl)C1 ZINC000647291110 565655300 /nfs/dbraw/zinc/65/53/00/565655300.db2.gz GDFODBBYWVRIMQ-ZDUSSCGKSA-N 1 0 381.723 2.603 20 0 GFADRO Cc1sc(Br)cc1S(=O)(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000647298972 565655414 /nfs/dbraw/zinc/65/54/14/565655414.db2.gz JNNQBQPBPOCVAM-XYPYZODXSA-N 1 0 381.361 2.862 20 0 GFADRO O=S(=O)(c1ccc(Br)s1)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647306992 565655459 /nfs/dbraw/zinc/65/54/59/565655459.db2.gz ONPFVUJXOIGHRK-NEPJUHHUSA-N 1 0 393.372 2.911 20 0 GFADRO COc1ccc(CCC(=O)N(C)[C@H]2C[NH+]3CCC2CC3)c(Br)c1 ZINC000668587957 565655571 /nfs/dbraw/zinc/65/55/71/565655571.db2.gz BVQMVXQXWMGFTQ-KRWDZBQOSA-N 1 0 381.314 2.943 20 0 GFADRO [NH3+][C@H]1CCC[C@H](CNS(=O)(=O)c2ccc(Br)c(Cl)c2)C1 ZINC000647316510 565656703 /nfs/dbraw/zinc/65/67/03/565656703.db2.gz NQTIVPHPYSFUSK-UWVGGRQHSA-N 1 0 381.723 2.898 20 0 GFADRO O=C(N[C@@H]1CCN(c2ccccc2Br)C1)[C@@H]1CCc2nc[nH]c2C1 ZINC000668599189 565656739 /nfs/dbraw/zinc/65/67/39/565656739.db2.gz SMCFQIRXHTXABE-CHWSQXEVSA-N 1 0 389.297 2.672 20 0 GFADRO O=C(N[C@H]1CCN(c2ccccc2Br)C1)[C@@H]1CCc2nc[nH]c2C1 ZINC000668599190 565657056 /nfs/dbraw/zinc/65/70/56/565657056.db2.gz SMCFQIRXHTXABE-OLZOCXBDSA-N 1 0 389.297 2.672 20 0 GFADRO [NH3+]C[C@H]1CC[C@@H](NS(=O)(=O)Cc2ccc(Br)cc2Cl)C1 ZINC000647324533 565658096 /nfs/dbraw/zinc/65/80/96/565658096.db2.gz ZFKWMGXKHIKDCX-JOYOIKCWSA-N 1 0 381.723 2.649 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1CN1CC[C@@H](C)O[C@@H](C)C1 ZINC000668626170 565658556 /nfs/dbraw/zinc/65/85/56/565658556.db2.gz SOZQIZYDGOORDO-RDBSUJKOSA-N 1 0 399.329 2.962 20 0 GFADRO Cc1c(F)c(Br)ccc1C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000668685067 565660483 /nfs/dbraw/zinc/66/04/83/565660483.db2.gz ZSXADALWPNDGGE-LBPRGKRZSA-N 1 0 386.309 2.510 20 0 GFADRO OC[C@]1([NH2+]CCO[C@@H]2CCCCO2)CCc2cc(Br)ccc2C1 ZINC000625796689 565660542 /nfs/dbraw/zinc/66/05/42/565660542.db2.gz LDSIWDKEWGLGJT-MSOLQXFVSA-N 1 0 384.314 2.802 20 0 GFADRO CC[NH+]1CCN([C@@H](C)CNC(=O)c2ccc(Br)c(F)c2C)CC1 ZINC000668674536 565660569 /nfs/dbraw/zinc/66/05/69/565660569.db2.gz OYNXZBBOGCHHIR-LBPRGKRZSA-N 1 0 386.309 2.652 20 0 GFADRO CN(CCN1CC[NH2+]CC1)Cc1csc(-c2cccc(Br)c2)n1 ZINC000647492586 565661596 /nfs/dbraw/zinc/66/15/96/565661596.db2.gz LOPIVZZMZTZCGZ-UHFFFAOYSA-N 1 0 395.370 2.910 20 0 GFADRO OC[C@H](Cc1ccc(O)cc1)[NH2+]C[C@@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000647520041 565662561 /nfs/dbraw/zinc/66/25/61/565662561.db2.gz OACLYVKLIUUUHN-DZGCQCFKSA-N 1 0 386.275 2.632 20 0 GFADRO CC[C@H](C)C[C@@H](CO)[NH2+]CCS(=O)(=O)c1cccc(Br)c1 ZINC000647524892 565662705 /nfs/dbraw/zinc/66/27/05/565662705.db2.gz KMYIUXAJNFNLCU-JSGCOSHPSA-N 1 0 378.332 2.610 20 0 GFADRO OC[C@@H](C[NH2+]C[C@H](O)COc1cccc(Br)c1)Cc1ccccc1 ZINC000647518784 565662984 /nfs/dbraw/zinc/66/29/84/565662984.db2.gz CZSLWYGCZLRHPX-AEFFLSMTSA-N 1 0 394.309 2.630 20 0 GFADRO OC[C@H]1CC[C@@H]([NH2+]C[C@H](O)COc2ccc(Cl)cc2Br)CC1 ZINC000647526180 565663037 /nfs/dbraw/zinc/66/30/37/565663037.db2.gz WNXVSPGTRRJOAO-YUTCNCBUSA-N 1 0 392.721 2.983 20 0 GFADRO CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N[C@@H](C)Cc2ccc(Cl)cc2Cl)C1 ZINC000668722632 565663548 /nfs/dbraw/zinc/66/35/48/565663548.db2.gz ZTPWGPXVTXXNPA-SWLSCSKDSA-N 1 0 386.323 2.641 20 0 GFADRO C[NH2+]CCOCCNC(=O)Nc1cc(C(F)(F)F)ccc1Br ZINC000625884718 565664528 /nfs/dbraw/zinc/66/45/28/565664528.db2.gz CZPGYPPRHCJJJW-UHFFFAOYSA-N 1 0 384.196 2.825 20 0 GFADRO CCN(C(=O)C(=O)NC[C@@H](C)c1c(Cl)cccc1Cl)[C@H]1CC[N@H+](C)C1 ZINC000668781281 565666121 /nfs/dbraw/zinc/66/61/21/565666121.db2.gz ONEQBDMMPHPYHK-OLZOCXBDSA-N 1 0 386.323 2.766 20 0 GFADRO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N1CC[C@H]1c1ccc(Br)cc1 ZINC000668776993 565666222 /nfs/dbraw/zinc/66/62/22/565666222.db2.gz LFNBPIOSDOVFQC-CJNGLKHVSA-N 1 0 396.329 2.569 20 0 GFADRO C[C@@H]1C[NH+](C[C@H](O)Cn2cc(-c3ccc(Br)cc3)cn2)C[C@@H](C)O1 ZINC000647611214 565666486 /nfs/dbraw/zinc/66/64/86/565666486.db2.gz YTRJGFAYHGOXML-LBTNJELSSA-N 1 0 394.313 2.783 20 0 GFADRO C[C@@H]1C[N@@H+](C[C@@H](O)Cn2cc(-c3ccc(Br)cc3)cn2)C[C@H](C)O1 ZINC000647611215 565666516 /nfs/dbraw/zinc/66/65/16/565666516.db2.gz YTRJGFAYHGOXML-QWQRMKEZSA-N 1 0 394.313 2.783 20 0 GFADRO C[NH2+][C@@H]1CCN(C(=O)c2c(C)nn(-c3ccc(Br)cc3)c2C)C1 ZINC000647613708 565666567 /nfs/dbraw/zinc/66/65/67/565666567.db2.gz JZYMUFHGDYMPKJ-CQSZACIVSA-N 1 0 377.286 2.686 20 0 GFADRO CCS(=O)(=O)NCCC[NH2+][C@@H](CN(C)C)c1ccc(Cl)c(Cl)c1 ZINC000625983468 565667889 /nfs/dbraw/zinc/66/78/89/565667889.db2.gz RCJMTJKLYLAECX-HNNXBMFYSA-N 1 0 382.357 2.515 20 0 GFADRO CNS(=O)(=O)CCC[N@@H+]1CCC[C@@H]1c1ccc(Br)cc1C ZINC000626009759 565669175 /nfs/dbraw/zinc/66/91/75/565669175.db2.gz SBIQNCWFSNCCGJ-OAHLLOKOSA-N 1 0 375.332 2.834 20 0 GFADRO CC[NH+]1CCC(CCNC(=O)C(=O)NCc2ccc(Cl)c(Cl)c2)CC1 ZINC000668876068 565670640 /nfs/dbraw/zinc/67/06/40/565670640.db2.gz MICUGHZJESVTJY-UHFFFAOYSA-N 1 0 386.323 2.848 20 0 GFADRO O=C(C[NH2+][C@@H](CCO)c1cc(Cl)cc(Cl)c1)N1CCOC[C@H]1C1CC1 ZINC000626101381 565675474 /nfs/dbraw/zinc/67/54/74/565675474.db2.gz QNGZPVJQHUMAGF-IRXDYDNUSA-N 1 0 387.307 2.644 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)c(C)c1C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000647807509 565678464 /nfs/dbraw/zinc/67/84/64/565678464.db2.gz KRNBMKVKYCQBGY-NSHDSACASA-N 1 0 377.286 2.686 20 0 GFADRO CC(=O)NC[C@H]1CCCC[N@@H+]1C[C@@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000626154197 565679667 /nfs/dbraw/zinc/67/96/67/565679667.db2.gz JMEOFXMUFGTLRV-ZIAGYGMSSA-N 1 0 375.296 2.724 20 0 GFADRO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)[C@]12CCC(=O)N1c1cc(Cl)ccc1S2 ZINC000647833058 565679769 /nfs/dbraw/zinc/67/97/69/565679769.db2.gz JELWDLONIXURBD-SUFBMKPHSA-N 1 0 379.913 2.820 20 0 GFADRO CNS(=O)(=O)C[C@@H]1CCC[N@H+](CCCc2ccccc2Br)C1 ZINC000626166862 565681277 /nfs/dbraw/zinc/68/12/77/565681277.db2.gz HLARGLMNHQPYNG-CQSZACIVSA-N 1 0 389.359 2.643 20 0 GFADRO CCC[NH2+][C@@H](C)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(CC)CC)c1 ZINC000647897887 565682055 /nfs/dbraw/zinc/68/20/55/565682055.db2.gz OUGALVRSNKVXEZ-LBPRGKRZSA-N 1 0 375.922 2.697 20 0 GFADRO [NH3+][C@H](C(=O)N1CCCN(C(=O)c2ccsc2)CC1)c1cccc(Cl)c1 ZINC000648004542 565687326 /nfs/dbraw/zinc/68/73/26/565687326.db2.gz OTQPQJJWKGQAQO-INIZCTEOSA-N 1 0 377.897 2.776 20 0 GFADRO O=C(NCC1(c2ccc(Br)cc2)CCOCC1)N1CCC[NH2+]CC1 ZINC000669443529 565689268 /nfs/dbraw/zinc/68/92/68/565689268.db2.gz VUZIVMHEDRYWMR-UHFFFAOYSA-N 1 0 396.329 2.502 20 0 GFADRO C[C@H](CNC(=O)C1([NH3+])Cc2ccccc2C1)Oc1cccc(Br)c1 ZINC000648092945 565691077 /nfs/dbraw/zinc/69/10/77/565691077.db2.gz ONRODBCUFPMXJB-CYBMUJFWSA-N 1 0 389.293 2.829 20 0 GFADRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)Nc1ccc(I)cc1OC ZINC000599605805 565692297 /nfs/dbraw/zinc/69/22/97/565692297.db2.gz MNPPFCOUGKPFDY-WDEREUQCSA-N 1 0 389.237 2.562 20 0 GFADRO COC(=O)c1cc(NC(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)cc(Br)c1F ZINC000599606547 565692412 /nfs/dbraw/zinc/69/24/12/565692412.db2.gz NIEMCNBPDUFTFF-RKDXNWHRSA-N 1 0 388.237 2.637 20 0 GFADRO COC(=O)c1cc(NC(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)c(Br)cc1F ZINC000599608244 565692902 /nfs/dbraw/zinc/69/29/02/565692902.db2.gz NCHMPIVSZZKEBP-RKDXNWHRSA-N 1 0 388.237 2.637 20 0 GFADRO C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N[C@@H]1CC[NH2+]C12CCCC2 ZINC000648208110 565693083 /nfs/dbraw/zinc/69/30/83/565693083.db2.gz WBZYPVKOYALNQN-SMDDNHRTSA-N 1 0 384.307 2.903 20 0 GFADRO C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000648182223 565693117 /nfs/dbraw/zinc/69/31/17/565693117.db2.gz CTRVPBHPOSKAOZ-NWDGAFQWSA-N 1 0 384.307 2.903 20 0 GFADRO CCC1([NH+]2CCOCC2)CCN(C(=O)Nc2cncc(Br)c2)CC1 ZINC000626460335 565693873 /nfs/dbraw/zinc/69/38/73/565693873.db2.gz CNFXYCTUMLEMBR-UHFFFAOYSA-N 1 0 397.317 2.953 20 0 GFADRO O=C(N[C@H]1C[C@H](c2ccc(Br)cc2)C1)N[C@@H]1C[NH2+]CCC1(F)F ZINC000669589696 565694298 /nfs/dbraw/zinc/69/42/98/565694298.db2.gz HYGVITZDZHCRFE-MRVWCRGKSA-N 1 0 388.256 2.992 20 0 GFADRO CCCN(C(=O)N[C@H]1COc2cc(F)c(Br)cc21)[C@@H]1CC[NH2+]C1 ZINC000669581102 565694324 /nfs/dbraw/zinc/69/43/24/565694324.db2.gz MBKPSWJXPZPIFZ-YGRLFVJLSA-N 1 0 386.265 2.805 20 0 GFADRO Cc1cc(NC(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)cc(C)c1Br ZINC000626537654 565698313 /nfs/dbraw/zinc/69/83/13/565698313.db2.gz ZWIVPMYRYPJIGT-AWEZNQCLSA-N 1 0 397.317 2.527 20 0 GFADRO CN1CCOC[C@H]1CNC(=O)Nc1cc(F)c(Br)c(Cl)c1 ZINC000626563058 565700100 /nfs/dbraw/zinc/70/01/00/565700100.db2.gz SUKCCTPNIXNSGC-SECBINFHSA-N 1 0 380.645 2.694 20 0 GFADRO CN(C(=O)c1c2ccc(Br)cc2nn1C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000648284844 565700387 /nfs/dbraw/zinc/70/03/87/565700387.db2.gz PPGKAZCYWXROFC-ZDUSSCGKSA-N 1 0 377.286 2.645 20 0 GFADRO CCc1ccc([C@@H]2CN(C(=O)CCn3cc(Br)cn3)CCN2)cc1 ZINC000669725058 565700598 /nfs/dbraw/zinc/70/05/98/565700598.db2.gz JKCRZBPRMXYPLF-KRWDZBQOSA-N 1 0 391.313 2.771 20 0 GFADRO CSc1ccc(NC(=O)NC[C@H]2C[N@H+](C)CCN2C)cc1Br ZINC000626647015 565705275 /nfs/dbraw/zinc/70/52/75/565705275.db2.gz FLGUDPMENDKNDH-LBPRGKRZSA-N 1 0 387.347 2.538 20 0 GFADRO C[NH+](C)C1CN(C(=O)Nc2cc(F)c(Cl)cc2I)C1 ZINC000599929204 565707080 /nfs/dbraw/zinc/70/70/80/565707080.db2.gz ZJKKADXLXRHLTL-UHFFFAOYSA-N 1 0 397.619 2.861 20 0 GFADRO C[C@H]([NH2+]CC(=O)N([C@@H]1CCS(=O)(=O)C1)C1CCCCC1)c1ccsc1 ZINC000669938628 565707891 /nfs/dbraw/zinc/70/78/91/565707891.db2.gz TUQFVBKEBVWCBC-WMLDXEAASA-N 1 0 384.567 2.747 20 0 GFADRO CN1CCN(C(=O)CC[N@@H+]2CCC[C@H]2c2ccccc2Br)CC1 ZINC000669930928 565708452 /nfs/dbraw/zinc/70/84/52/565708452.db2.gz OWAYCPXRIJLENZ-KRWDZBQOSA-N 1 0 380.330 2.750 20 0 GFADRO CC(C)[NH2+]CCCNC(=O)C(=O)Nc1cc(Cl)c(Br)cc1F ZINC000626830551 565712470 /nfs/dbraw/zinc/71/24/70/565712470.db2.gz FDLSUQMFDNNISE-UHFFFAOYSA-N 1 0 394.672 2.684 20 0 GFADRO CC(C)[C@H]1C[NH2+]CCN1C(=O)C(=O)Nc1cc(Cl)ccc1C(F)(F)F ZINC000626847612 565712861 /nfs/dbraw/zinc/71/28/61/565712861.db2.gz SVEZWEFAENYWLU-CYBMUJFWSA-N 1 0 377.794 2.754 20 0 GFADRO Cc1cc(Br)cc(Cl)c1NC(=O)C(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000626888524 565714409 /nfs/dbraw/zinc/71/44/09/565714409.db2.gz VOCPXCQTXSIZEX-MWLCHTKSSA-N 1 0 388.693 2.606 20 0 GFADRO Cc1c(Cl)cccc1NC(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000626861318 565714547 /nfs/dbraw/zinc/71/45/47/565714547.db2.gz MJNPTHAURMPMOZ-WDEREUQCSA-N 1 0 377.794 2.573 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)NCCOc2ccc(Cl)cc2)CC[C@H]1C(F)(F)F ZINC000626924049 565715129 /nfs/dbraw/zinc/71/51/29/565715129.db2.gz DUVLFZPUVMHTNE-BXUZGUMPSA-N 1 0 379.810 2.888 20 0 GFADRO CN(C)c1nc(CNC(=O)N[C@H](C[NH+](C)C)c2ccc(Cl)cc2)cs1 ZINC000670132978 565716470 /nfs/dbraw/zinc/71/64/70/565716470.db2.gz XIUPASSORMZGTK-OAHLLOKOSA-N 1 0 381.933 2.965 20 0 GFADRO CCOC(=O)c1nn(C)cc1CNCc1ccc(Br)c(F)c1F ZINC000600201474 565717469 /nfs/dbraw/zinc/71/74/69/565717469.db2.gz NFMQWFGKJPDVPR-UHFFFAOYSA-N 1 0 388.212 2.927 20 0 GFADRO C[C@@H]1CC[C@@H](NC(=O)N[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C[NH2+]1 ZINC000627011193 565719038 /nfs/dbraw/zinc/71/90/38/565719038.db2.gz YCIAWVFDQFZHCH-UEKVPHQBSA-N 1 0 385.295 2.538 20 0 GFADRO CCn1c(CNC(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)nc2cc(Br)ccc21 ZINC000627019875 565719993 /nfs/dbraw/zinc/71/99/93/565719993.db2.gz SZBHFAIIZSSSLI-DGCLKSJQSA-N 1 0 394.317 2.758 20 0 GFADRO CC[C@H](COCC(F)(F)F)NC(=O)N1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000627048296 565720959 /nfs/dbraw/zinc/72/09/59/565720959.db2.gz XMZFCSSJPORLKU-GMTAPVOTSA-N 1 0 379.345 2.513 20 0 GFADRO COc1ccc(Br)c(C(=O)N2CCC[C@@H]([NH+]3CCOCC3)CC2)c1 ZINC000670390654 565722022 /nfs/dbraw/zinc/72/20/22/565722022.db2.gz MBHRGJFWULULOL-CQSZACIVSA-N 1 0 397.313 2.785 20 0 GFADRO CC[C@H](Cc1ccccc1Br)C(=O)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000670408327 565722406 /nfs/dbraw/zinc/72/24/06/565722406.db2.gz MCNWQJKTOHEFFG-WBVHZDCISA-N 1 0 394.357 2.524 20 0 GFADRO C[N@@H+]1CCCC[C@@H](CNC(=O)c2cc(F)ccc2I)C1 ZINC000600311742 565723520 /nfs/dbraw/zinc/72/35/20/565723520.db2.gz CIIKZVSJCJEJFK-NSHDSACASA-N 1 0 390.240 2.892 20 0 GFADRO O=C(COc1cc(Cl)c(Cl)cc1Cl)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000670447092 565723622 /nfs/dbraw/zinc/72/36/22/565723622.db2.gz IHXIVGXIXQRXPR-NSHDSACASA-N 1 0 392.714 2.532 20 0 GFADRO COc1ncc(Br)cc1CNC(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000627157424 565723620 /nfs/dbraw/zinc/72/36/20/565723620.db2.gz UXZPKILYSBBVIW-HNNXBMFYSA-N 1 0 397.317 2.526 20 0 GFADRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCOC[C@H]1c1ccc(Br)cc1 ZINC000627158278 565723837 /nfs/dbraw/zinc/72/38/37/565723837.db2.gz PMCPCAWIMMSQRJ-XHSDSOJGSA-N 1 0 382.302 2.673 20 0 GFADRO C[C@@H](CN(C)C(=O)NCC1([NH3+])CCOCC1)Oc1ccc(Cl)c(Cl)c1 ZINC000627149850 565723977 /nfs/dbraw/zinc/72/39/77/565723977.db2.gz QYDUHFLRJQNNIU-LBPRGKRZSA-N 1 0 390.311 2.910 20 0 GFADRO C[NH2+]CCOCCNC(=O)N1CCC(C)(c2ccc(Br)cc2)CC1 ZINC000627172741 565724489 /nfs/dbraw/zinc/72/44/89/565724489.db2.gz GLUQLIXIHLEPSS-UHFFFAOYSA-N 1 0 398.345 2.748 20 0 GFADRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)NCCc1ccc(Cl)cc1Cl ZINC000670494561 565725020 /nfs/dbraw/zinc/72/50/20/565725020.db2.gz FEPQHOCECUFWGT-OAHLLOKOSA-N 1 0 386.323 2.643 20 0 GFADRO CC[N@@H+]1CCC[C@@H](CNC(=O)c2c3ccc(Br)cc3nn2C)C1 ZINC000648754912 565726386 /nfs/dbraw/zinc/72/63/86/565726386.db2.gz FJFFSILOAWDNCB-LBPRGKRZSA-N 1 0 379.302 2.798 20 0 GFADRO O=C(CCc1nc2cc(Cl)ccc2s1)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000627257267 565728570 /nfs/dbraw/zinc/72/85/70/565728570.db2.gz DYPNVTGBLBYPLC-KGLIPLIRSA-N 1 0 379.913 2.550 20 0 GFADRO O=C(c1cc(Cl)c(F)cc1Br)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000627269165 565730513 /nfs/dbraw/zinc/73/05/13/565730513.db2.gz OFONKJURKICGSB-UWVGGRQHSA-N 1 0 391.668 2.523 20 0 GFADRO COC(=O)c1cc(C(=O)N[C@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)no1 ZINC000600472705 565732000 /nfs/dbraw/zinc/73/20/00/565732000.db2.gz OLYWWJMWPCOWJU-CYBMUJFWSA-N 1 0 386.235 2.801 20 0 GFADRO Cn1nc2cc(Br)ccc2c1C(=O)N1CC[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000648856209 565734633 /nfs/dbraw/zinc/73/46/33/565734633.db2.gz YBOAABKZGTXOEF-XHDPSFHLSA-N 1 0 377.286 2.502 20 0 GFADRO COc1ccc(CCC(=O)N(C)[C@H]2C[NH+]3CCC2CC3)cc1Br ZINC000600514505 565735218 /nfs/dbraw/zinc/73/52/18/565735218.db2.gz DEZDDFJMHBZSBF-INIZCTEOSA-N 1 0 381.314 2.943 20 0 GFADRO C[C@@H]1[C@H](C(=O)N2CCO[C@@H](c3ccc(F)c(Br)c3)C2)CC[N@@H+]1C ZINC000648865084 565735765 /nfs/dbraw/zinc/73/57/65/565735765.db2.gz UXYNEQAKXZWGDF-AXAPSJFSSA-N 1 0 385.277 2.828 20 0 GFADRO Cn1ccnc1[C@@H]1C[C@@H]([NH2+]Cc2cnc3ccc(Br)cn23)CCO1 ZINC000648870285 565736281 /nfs/dbraw/zinc/73/62/81/565736281.db2.gz VUEGMAHIWNBGEH-ZFWWWQNUSA-N 1 0 390.285 2.840 20 0 GFADRO C[NH+](C)CCn1nccc1NC(=O)[C@H]1[C@@H]2c3cccc(Br)c3C[C@H]12 ZINC000627543750 565739407 /nfs/dbraw/zinc/73/94/07/565739407.db2.gz TXEILKKCHMZEGU-IAOVAPTHSA-N 1 0 389.297 2.732 20 0 GFADRO O=C(NC[C@H]1CCCC[N@H+]1CCO)c1cc2c(cncc2Br)s1 ZINC000648917817 565739729 /nfs/dbraw/zinc/73/97/29/565739729.db2.gz AARYSCMSLKRTAV-LLVKDONJSA-N 1 0 398.326 2.635 20 0 GFADRO O=C(N[C@H]1CCC[N@@H+](CCCO)C1)c1ccc(OC(F)(F)F)c(Cl)c1 ZINC000627575463 565741808 /nfs/dbraw/zinc/74/18/08/565741808.db2.gz SZHNGORPQSZIRI-LBPRGKRZSA-N 1 0 380.794 2.815 20 0 GFADRO CN(Cc1c(Cl)cccc1Cl)C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000671105457 565751290 /nfs/dbraw/zinc/75/12/90/565751290.db2.gz XJILPTRCTYWWFX-OLZOCXBDSA-N 1 0 384.307 2.695 20 0 GFADRO Cc1c(Br)cccc1NC(=O)C(=O)NC[C@@H]1CCCC[N@@H+](C)C1 ZINC000627827746 565754717 /nfs/dbraw/zinc/75/47/17/565754717.db2.gz HRLLECORQOQAEV-ZDUSSCGKSA-N 1 0 382.302 2.544 20 0 GFADRO C[NH+](C)C[C@H]1CN(S(=O)(=O)c2cc(Cl)ccc2F)c2ccccc2O1 ZINC000671176801 565755572 /nfs/dbraw/zinc/75/55/72/565755572.db2.gz HULAKYMNDSZXAQ-ZDUSSCGKSA-N 1 0 384.860 2.997 20 0 GFADRO CC[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)CC1 ZINC000649322343 565758916 /nfs/dbraw/zinc/75/89/16/565758916.db2.gz NYNUQQDUCZGUBQ-BGTYHANMSA-N 1 0 392.341 2.795 20 0 GFADRO O=c1cc(C[N@H+]2CCCCC[C@H]2CCO)nc2ccc(Br)cn12 ZINC000671248530 565759388 /nfs/dbraw/zinc/75/93/88/565759388.db2.gz ZGRLDSFOYUXPOE-HNNXBMFYSA-N 1 0 380.286 2.584 20 0 GFADRO OCC[C@@H]1CCCCC[N@@H+]1C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000671247627 565760028 /nfs/dbraw/zinc/76/00/28/565760028.db2.gz DVIDWDDPTSMXNO-HOTGVXAUSA-N 1 0 390.293 2.955 20 0 GFADRO O=C(NC[C@@H]1CC[N@@H+]1C1CCCC1)C(=O)Nc1c(F)cccc1Br ZINC000627906949 565761216 /nfs/dbraw/zinc/76/12/16/565761216.db2.gz KGQNASKTBZSSEU-LBPRGKRZSA-N 1 0 398.276 2.660 20 0 GFADRO C[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1C)c1cc2c(cc1Br)OCCO2 ZINC000600962364 565761528 /nfs/dbraw/zinc/76/15/28/565761528.db2.gz XQVUTQHQBNNHHT-BXUZGUMPSA-N 1 0 383.286 2.882 20 0 GFADRO C[C@](CO)([NH2+]C[C@@H](O)COc1ccc(Cl)c(Cl)c1)c1cccc(O)c1 ZINC000649624765 565769224 /nfs/dbraw/zinc/76/92/24/565769224.db2.gz UMQUCDSBGKRDRW-RDTXWAMCSA-N 1 0 386.275 2.936 20 0 GFADRO CSC1(CNc2c3ccccc3ccc2S(N)(=O)=O)CC[NH+](C)CC1 ZINC000601166397 565769806 /nfs/dbraw/zinc/76/98/06/565769806.db2.gz KQDMHJRYHADALN-UHFFFAOYSA-N 1 0 379.551 2.727 20 0 GFADRO CCS(=O)(=O)NCCC[NH2+]C1(c2ccccc2Br)CCC1 ZINC000649646935 565771527 /nfs/dbraw/zinc/77/15/27/565771527.db2.gz WOFPQHJZCZVEEL-UHFFFAOYSA-N 1 0 375.332 2.747 20 0 GFADRO C[C@H]([NH2+]CCCN1C(=O)NC(C)(C)C1=O)c1ccc(F)c(Br)c1 ZINC000649675322 565772727 /nfs/dbraw/zinc/77/27/27/565772727.db2.gz QUZJBRQSEZYPBN-JTQLQIEISA-N 1 0 386.265 2.959 20 0 GFADRO CC(C)[NH2+][C@@H]1CCCN(C(=O)NCCOc2cccc(Br)c2)C1 ZINC000601268501 565773244 /nfs/dbraw/zinc/77/32/44/565773244.db2.gz JRDZPBAATUXQMU-OAHLLOKOSA-N 1 0 384.318 3.000 20 0 GFADRO COC[C@H]1C[C@@H](O)C[N@@H+]1CC(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000649762648 565777246 /nfs/dbraw/zinc/77/72/46/565777246.db2.gz SKGRZRLCDLYYCB-CPUCHLNUSA-N 1 0 387.307 2.739 20 0 GFADRO COc1nc(N2CC[NH+](C[C@]3(C)CCCS3)CC2)ncc1Br ZINC000628163928 565777486 /nfs/dbraw/zinc/77/74/86/565777486.db2.gz XWSJOUUPGBTEEG-HNNXBMFYSA-N 1 0 387.347 2.655 20 0 GFADRO CS[C@H]1CN(C(=O)Cc2csc(CCC(F)(F)F)n2)C[C@H]1[NH+](C)C ZINC000601378597 565778755 /nfs/dbraw/zinc/77/87/55/565778755.db2.gz CVZXUTMPMLSREU-NEPJUHHUSA-N 1 0 381.489 2.685 20 0 GFADRO CC(=O)c1cc(Br)ccc1OCC(=O)N[C@@H](C)C1CC[NH+](C)CC1 ZINC000671723177 565783657 /nfs/dbraw/zinc/78/36/57/565783657.db2.gz BUOJNENWZQZVOM-LBPRGKRZSA-N 1 0 397.313 2.877 20 0 GFADRO CC[NH+]1CCN(CC(=O)NCC/C=C/c2ccc(Br)cc2)CC1 ZINC000628336087 565784426 /nfs/dbraw/zinc/78/44/26/565784426.db2.gz ZSFBQXREKDKWAM-HWKANZROSA-N 1 0 380.330 2.606 20 0 GFADRO CO[C@@]1(CO)CCC[N@H+](Cc2c[nH]nc2-c2ccc(Br)s2)C1 ZINC000628338013 565784682 /nfs/dbraw/zinc/78/46/82/565784682.db2.gz XOXNMGVIMYGDNC-HNNXBMFYSA-N 1 0 386.315 2.874 20 0 GFADRO CN(C)c1cc[nH+]c(NC(=O)CCCS(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000671794513 565786656 /nfs/dbraw/zinc/78/66/56/565786656.db2.gz GVZODCAKEDKPAW-UHFFFAOYSA-N 1 0 381.885 2.994 20 0 GFADRO Cc1nn(-c2cccc(Br)c2)cc1C[N@@H+](C)[C@@H]1CCC(=O)N(C)C1 ZINC000628369124 565787859 /nfs/dbraw/zinc/78/78/59/565787859.db2.gz STHGVVXIEIFYSL-QGZVFWFLSA-N 1 0 391.313 2.996 20 0 GFADRO CNS(=O)(=O)C[C@@H]1CCC[N@H+](Cc2c(Cl)cccc2N2CCCC2)C1 ZINC000628495986 565792884 /nfs/dbraw/zinc/79/28/84/565792884.db2.gz FUVQQUNXCJKUNM-OAHLLOKOSA-N 1 0 385.961 2.701 20 0 GFADRO CC[N@@H+]1CCN(C(=O)c2cc(=O)[nH]c3ccc(Br)cc32)[C@H](C)C1 ZINC000672190228 565797809 /nfs/dbraw/zinc/79/78/09/565797809.db2.gz PZRRQSADRVLIIN-LLVKDONJSA-N 1 0 378.270 2.869 20 0 GFADRO CC1(C)CN(c2ccc(-c3ccc(Br)s3)nn2)CC[N@@H+]1CCO ZINC000672260973 565800451 /nfs/dbraw/zinc/80/04/51/565800451.db2.gz HEIVLHKDLRLEIX-UHFFFAOYSA-N 1 0 397.342 2.861 20 0 GFADRO Cc1cc(C(=O)NC[C@H]2CCC[NH2+]C2)c(I)cc1Cl ZINC000602020552 565815864 /nfs/dbraw/zinc/81/58/64/565815864.db2.gz MGZCGUJZKHTRIV-JTQLQIEISA-N 1 0 392.668 2.982 20 0 GFADRO O[C@H](COc1ccc(Cl)c(Cl)c1)C[N@@H+]1CC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000650202965 565806330 /nfs/dbraw/zinc/80/63/30/565806330.db2.gz NUXKESNBJUPOSC-BHDSKKPTSA-N 1 0 388.213 2.978 20 0 GFADRO CC1(C)C[NH2+]CC[C@@H](NC(=O)c2c(F)cccc2I)C1 ZINC000601977251 565812121 /nfs/dbraw/zinc/81/21/21/565812121.db2.gz SMUITYLPATULNR-SNVBAGLBSA-N 1 0 390.240 2.938 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)c2ccc3[nH]cc(I)c3c2)CC[N@@H+]1C ZINC000602107521 565823133 /nfs/dbraw/zinc/82/31/33/565823133.db2.gz GNECHJYPNFIISL-PWSUYJOCSA-N 1 0 397.260 2.985 20 0 GFADRO COc1cc(I)ccc1NC(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC000602154722 565827121 /nfs/dbraw/zinc/82/71/21/565827121.db2.gz IDYARXVNKXXPNI-NXEZZACHSA-N 1 0 383.189 2.765 20 0 GFADRO CC[NH+]1CCN(CC(=O)N2C[C@H](c3ccc(Br)cc3)C[C@H]2C)CC1 ZINC000629246364 565830751 /nfs/dbraw/zinc/83/07/51/565830751.db2.gz MEEAALDGUQMPMI-NVXWUHKLSA-N 1 0 394.357 2.791 20 0 GFADRO Cc1c(C(=O)N2CCC3(C[NH+](C)C3)C2)cnn1-c1cccc(Br)c1 ZINC000673428252 565834603 /nfs/dbraw/zinc/83/46/03/565834603.db2.gz RZZHWHPWQBWYBH-UHFFFAOYSA-N 1 0 389.297 2.721 20 0 GFADRO CC[C@@H](Cc1ccccc1Br)C(=O)N[C@@H](CO)C[NH+]1CCCC1 ZINC000673530443 565838829 /nfs/dbraw/zinc/83/88/29/565838829.db2.gz HYUSXQFCCURPDR-GOEBONIOSA-N 1 0 383.330 2.591 20 0 GFADRO C[S@](=O)C1(C(=O)NCC(C)(C)c2ccc(Cl)c(Cl)c2)CC[NH2+]CC1 ZINC000602448246 565848719 /nfs/dbraw/zinc/84/87/19/565848719.db2.gz HTOITBKFTMSQOJ-DEOSSOPVSA-N 1 0 391.364 2.888 20 0 GFADRO COc1cc(CNCC2([NH3+])CCOCC2)cc(Br)c1OC(F)F ZINC000629387607 565849581 /nfs/dbraw/zinc/84/95/81/565849581.db2.gz HYSSFKFXOKNLFB-UHFFFAOYSA-N 1 0 395.244 2.657 20 0 GFADRO CN(CCC[NH2+][C@H](Cc1ccccc1Br)C1CC1)S(C)(=O)=O ZINC000651187301 565849802 /nfs/dbraw/zinc/84/98/02/565849802.db2.gz DXJMWQDCFFEBHL-MRXNPFEDSA-N 1 0 389.359 2.641 20 0 GFADRO C[S@@](=O)C1(C(=O)N[C@@H]2CCc3c2ccc(Cl)c3Cl)CC[NH2+]CC1 ZINC000602461090 565850307 /nfs/dbraw/zinc/85/03/07/565850307.db2.gz ALIDFWLAJHXXHS-JCQPUDPBSA-N 1 0 375.321 2.598 20 0 GFADRO CC(C)(CO)[NH+]1CCN(Cc2ncc(-c3ccc(Br)cc3)o2)CC1 ZINC000673896201 565852780 /nfs/dbraw/zinc/85/27/80/565852780.db2.gz QSDDCIOGIWSOLV-UHFFFAOYSA-N 1 0 394.313 2.993 20 0 GFADRO C[N@@H+]1CCC[C@H]1CNC(=O)Cc1ccc(Br)c(Br)c1 ZINC000629450969 565853297 /nfs/dbraw/zinc/85/32/97/565853297.db2.gz BIYXFQUWPGBNIO-NSHDSACASA-N 1 0 390.119 2.965 20 0 GFADRO C[C@H]1CC[C@H](NC(=O)c2cc(Cl)ccc2I)C[NH2+]1 ZINC000602553925 565855391 /nfs/dbraw/zinc/85/53/91/565855391.db2.gz LEPUNRZLOREQEM-WPRPVWTQSA-N 1 0 378.641 2.815 20 0 GFADRO COC(=O)CC1([NH2+]Cc2ccc(I)s2)CCOCC1 ZINC000602589329 565856436 /nfs/dbraw/zinc/85/64/36/565856436.db2.gz PQCXBDQAGDKVOQ-UHFFFAOYSA-N 1 0 395.262 2.555 20 0 GFADRO Ic1ccc(C[NH2+][C@@H]2CCO[C@@]3(CCOC3)C2)s1 ZINC000602582168 565856787 /nfs/dbraw/zinc/85/67/87/565856787.db2.gz LXPQCOHDRWVISG-MFKMUULPSA-N 1 0 379.263 2.780 20 0 GFADRO CN(Cc1ccc(Br)cc1F)C(=O)c1cnn2c1[C@H](C[NH3+])CCC2 ZINC000602578666 565856703 /nfs/dbraw/zinc/85/67/03/565856703.db2.gz PDJMAZSVIWIZEK-NSHDSACASA-N 1 0 395.276 2.893 20 0 GFADRO CN([C@@H](C[NH3+])C(F)(F)F)[C@@H]1CCc2cc(Br)ccc2NC1=O ZINC000629548640 565857506 /nfs/dbraw/zinc/85/75/06/565857506.db2.gz QYQVHTDPGQHBJO-NEPJUHHUSA-N 1 0 380.208 2.524 20 0 GFADRO [NH3+]C[C@@H]1CCCN(CC(=O)Nc2ccc(Br)cc2)[C@@H]1C(F)(F)F ZINC000629584482 565860333 /nfs/dbraw/zinc/86/03/33/565860333.db2.gz VIKXINUDWRGPTR-HZMBPMFUSA-N 1 0 394.235 2.989 20 0 GFADRO C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H](CCO)c1cc(Cl)cc(Cl)c1 ZINC000629588117 565861675 /nfs/dbraw/zinc/86/16/75/565861675.db2.gz HXNSFSYUMZVXAL-LRDDRELGSA-N 1 0 375.296 2.501 20 0 GFADRO COc1ncc(Br)cc1C[NH2+]C[C@H](O)COc1cc(C)ccc1C ZINC000629592774 565861893 /nfs/dbraw/zinc/86/18/93/565861893.db2.gz FJAQYYYLABJRMJ-INIZCTEOSA-N 1 0 395.297 2.999 20 0 GFADRO CSc1ccc(OC[C@H](O)C[NH2+]Cc2c(C(F)(F)F)cnn2C)cc1 ZINC000629605442 565864063 /nfs/dbraw/zinc/86/40/63/565864063.db2.gz ZBQGHNWLGASMBF-LLVKDONJSA-N 1 0 375.416 2.690 20 0 GFADRO COc1ccc(C[C@@H](CO)C[NH2+][C@H](C)c2c[nH]nc2C)cc1Br ZINC000651460490 565864574 /nfs/dbraw/zinc/86/45/74/565864574.db2.gz MAWOKSJPIWKARI-BXUZGUMPSA-N 1 0 382.302 2.991 20 0 GFADRO CC[C@@H](C[NH+]1CCCC1)NS(=O)(=O)c1cc(C)c(Br)s1 ZINC000674346244 565870188 /nfs/dbraw/zinc/87/01/88/565870188.db2.gz KRINHIXWOJKQIJ-NSHDSACASA-N 1 0 381.361 2.972 20 0 GFADRO OCC[N@H+](CCc1ccccc1)C[C@H](O)COc1ccc(Br)cc1 ZINC000602879238 565872696 /nfs/dbraw/zinc/87/26/96/565872696.db2.gz SXQRHQYMQIGGNQ-SFHVURJKSA-N 1 0 394.309 2.726 20 0 GFADRO CC[NH+](CC)CCO[C@H]1CCN(S(=O)(=O)c2ccc(Cl)c(F)c2)C1 ZINC000651588015 565876685 /nfs/dbraw/zinc/87/66/85/565876685.db2.gz DBWMQEFNERWUSA-ZDUSSCGKSA-N 1 0 378.897 2.601 20 0 GFADRO Cc1cc(Br)sc1S(=O)(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000651589992 565876737 /nfs/dbraw/zinc/87/67/37/565876737.db2.gz XBSNNYRWGPDAHW-LBPRGKRZSA-N 1 0 399.401 2.535 20 0 GFADRO Cc1cc(C[NH+](C)C)cc(NC(=O)c2nn(C)cc2I)c1 ZINC000602977557 565877573 /nfs/dbraw/zinc/87/75/73/565877573.db2.gz CVJXLSVNELKIBV-UHFFFAOYSA-N 1 0 398.248 2.647 20 0 GFADRO C[NH2+]C1(CNC(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2ccc(Cl)c(Cl)c2)CCC1 ZINC000630003695 565879853 /nfs/dbraw/zinc/87/98/53/565879853.db2.gz DMGMVXRWLDLVJI-MLGOLLRUSA-N 1 0 384.307 2.771 20 0 GFADRO Cc1cc(Br)sc1S(=O)(=O)N1CCC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000651747219 565890098 /nfs/dbraw/zinc/89/00/98/565890098.db2.gz WTWYNYDBUPALIG-WDEREUQCSA-N 1 0 379.345 2.534 20 0 GFADRO CC[NH+](CC)CCCCNC(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000603286777 565894709 /nfs/dbraw/zinc/89/47/09/565894709.db2.gz ACIWRGSBGJKXQT-UHFFFAOYSA-N 1 0 386.945 2.885 20 0 GFADRO O=S(=O)(c1ccc(F)c(Cl)c1)N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000675276718 565896755 /nfs/dbraw/zinc/89/67/55/565896755.db2.gz JEFPUMNYIAITHE-CQSZACIVSA-N 1 0 390.908 2.745 20 0 GFADRO CCOC(=O)c1nc(N2CCC3(C2)CC[NH+](C)CC3)ccc1Br ZINC000603380187 565901259 /nfs/dbraw/zinc/90/12/59/565901259.db2.gz DIDKRWWOLJJIBA-UHFFFAOYSA-N 1 0 382.302 2.943 20 0 GFADRO CN1CCC([N@@H+]2CC[C@H](Nc3ncnc4ccc(Br)cc43)C2)CC1 ZINC000603395097 565902238 /nfs/dbraw/zinc/90/22/38/565902238.db2.gz RJXPJULEZMEOOB-AWEZNQCLSA-N 1 0 390.329 2.973 20 0 GFADRO C[N@@H+]1CCCN(CCCNC(=O)c2ccc(Cl)cc2Br)CC1 ZINC000675463153 565903382 /nfs/dbraw/zinc/90/33/82/565903382.db2.gz HCJRQKGTRBFWGE-UHFFFAOYSA-N 1 0 388.737 2.860 20 0 GFADRO C[NH+](C)CCC1CCN(C(=O)c2ncc(I)s2)CC1 ZINC000603428544 565904940 /nfs/dbraw/zinc/90/49/40/565904940.db2.gz VTYUIUZDORYCLN-UHFFFAOYSA-N 1 0 393.294 2.552 20 0 GFADRO O[C@]1(CC[NH2+]C2CCN(Cc3ccccc3Br)CC2)CCOC1 ZINC000651943828 565906336 /nfs/dbraw/zinc/90/63/36/565906336.db2.gz GNTDGYCJNCMTBV-GOSISDBHSA-N 1 0 383.330 2.545 20 0 GFADRO CCN1C[C@H](C[NH2+]Cc2ncc(Br)cc2Br)CC1=O ZINC000651998985 565909342 /nfs/dbraw/zinc/90/93/42/565909342.db2.gz CLJGZSIAKVFKSY-VIFPVBQESA-N 1 0 391.107 2.565 20 0 GFADRO CCOc1c(Br)cc(C[NH2+]C[C@H]2CC(=O)N(CC)C2)cc1OC ZINC000652003612 565909645 /nfs/dbraw/zinc/90/96/45/565909645.db2.gz YFPLMCDGUGOZID-CYBMUJFWSA-N 1 0 385.302 2.814 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+]CC[C@]1(O)CCCOC1 ZINC000652041044 565913095 /nfs/dbraw/zinc/91/30/95/565913095.db2.gz RNOFXTYEKYRVGA-GOSISDBHSA-N 1 0 394.313 2.964 20 0 GFADRO O[C@@]1(CC[NH2+]C2CCN(Cc3ccccc3Br)CC2)CCCOC1 ZINC000652040680 565913344 /nfs/dbraw/zinc/91/33/44/565913344.db2.gz JXYUQUOTPIEGAK-LJQANCHMSA-N 1 0 397.357 2.935 20 0 GFADRO O=C(NCCC1CC[NH2+]CC1)N[C@H]1CCOc2ccc(Br)cc21 ZINC000652137654 565916528 /nfs/dbraw/zinc/91/65/28/565916528.db2.gz RRVQDPBUMJOSPN-HNNXBMFYSA-N 1 0 382.302 2.962 20 0 GFADRO [NH3+]CC1(CCNC(=O)NCc2cc(Br)ccc2OC(F)F)CC1 ZINC000652143968 565917632 /nfs/dbraw/zinc/91/76/32/565917632.db2.gz PXDUQJMFFYRHCS-UHFFFAOYSA-N 1 0 392.244 2.979 20 0 GFADRO [NH3+]Cc1ccc(CNC(=O)NCCc2nc(C(F)(F)F)cs2)c(F)c1 ZINC000652162227 565918867 /nfs/dbraw/zinc/91/88/67/565918867.db2.gz JJCPPBJCHLVTIU-UHFFFAOYSA-N 1 0 376.379 2.802 20 0 GFADRO Clc1ccc2c(c1Cl)CC[C@H]2[NH2+][C@@H]1CCN(CCN2CCOCC2)C1 ZINC000675886644 565919898 /nfs/dbraw/zinc/91/98/98/565919898.db2.gz KEFQTQPPTJKLRJ-RDTXWAMCSA-N 1 0 384.351 2.977 20 0 GFADRO C[C@H](NC(=O)N[C@@H](CO)c1cccc(Br)c1)C1CC[NH+](C)CC1 ZINC000675995957 565921931 /nfs/dbraw/zinc/92/19/31/565921931.db2.gz WRNWRQQWTJYFIT-LRDDRELGSA-N 1 0 384.318 2.512 20 0 GFADRO O=C(CCn1cc(Br)cn1)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000604011162 565922166 /nfs/dbraw/zinc/92/21/66/565922166.db2.gz AQXZPEHCEFRTHF-QGZVFWFLSA-N 1 0 391.313 2.817 20 0 GFADRO CC[C@@H]1[C@@H](C(=O)NCC(=O)Nc2cc(Br)ccc2C)CC[N@@H+]1C ZINC000630872953 565923879 /nfs/dbraw/zinc/92/38/79/565923879.db2.gz CUHKNBRLDIRLRD-DZGCQCFKSA-N 1 0 382.302 2.543 20 0 GFADRO C[C@H]1C[C@@H]([NH2+]C[C@H]2CCCCN2S(=O)(=O)N(C)C)c2ccsc2S1 ZINC000676075684 565925467 /nfs/dbraw/zinc/92/54/67/565925467.db2.gz HQVBJQHTYSLPGS-GZBFAFLISA-N 1 0 389.612 2.924 20 0 GFADRO CN1CCC([N@@H+]2CC[C@@H](NC(=O)Nc3ccc(Br)cc3)C2)CC1 ZINC000604209553 565925635 /nfs/dbraw/zinc/92/56/35/565925635.db2.gz QEBGKPWUQKYABP-OAHLLOKOSA-N 1 0 381.318 2.739 20 0 GFADRO COc1ccc(S(=O)(=O)N2CCC[C@@H](C)[C@H]2CC[NH3+])c(Br)c1 ZINC000652377689 565926701 /nfs/dbraw/zinc/92/67/01/565926701.db2.gz NCBITXMIUUDXFJ-BXUZGUMPSA-N 1 0 391.331 2.596 20 0 GFADRO C[N@@H+]1CCC[C@H](N2CCN(CCOc3cccc(Br)c3)CC2)C1 ZINC000604388828 565928684 /nfs/dbraw/zinc/92/86/84/565928684.db2.gz FGCSSKYIZOGBNI-KRWDZBQOSA-N 1 0 382.346 2.540 20 0 GFADRO O=S(=O)(c1ccc(C(F)(F)C(F)(F)F)cc1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000630950103 565929456 /nfs/dbraw/zinc/92/94/56/565929456.db2.gz HMASETPEBSYKNE-ZDUSSCGKSA-N 1 0 384.370 2.715 20 0 GFADRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)NCc3c(Cl)cccc3Cl)CC2)C1 ZINC000604647266 565933647 /nfs/dbraw/zinc/93/36/47/565933647.db2.gz MISBMKQLCBDVNF-CQSZACIVSA-N 1 0 385.339 2.915 20 0 GFADRO CCO[C@@H]1CN(C(=O)Nc2cc(-c3ccc(Cl)s3)nn2C)C[C@H]1C[NH3+] ZINC000652600386 565934831 /nfs/dbraw/zinc/93/48/31/565934831.db2.gz DAPPUDJTBJKRSA-ZYHUDNBSSA-N 1 0 383.905 2.630 20 0 GFADRO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCN(C(=O)Nc3cncc(Br)c3)C2)C1 ZINC000652586996 565935095 /nfs/dbraw/zinc/93/50/95/565935095.db2.gz SDQHIGJIZZGRRU-UXIGCNINSA-N 1 0 383.290 2.594 20 0 GFADRO Cc1nc(S(=O)(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)sc1C ZINC000676416733 565936377 /nfs/dbraw/zinc/93/63/77/565936377.db2.gz RCPMLXUZXAFAKH-SUMWQHHRSA-N 1 0 379.551 2.949 20 0 GFADRO CCOc1c(Cl)cc(NC(=O)C(=O)NCCC2CC[NH2+]CC2)cc1Cl ZINC000652642996 565937237 /nfs/dbraw/zinc/93/72/37/565937237.db2.gz TUCXMMAHXYCYSW-UHFFFAOYSA-N 1 0 388.295 2.837 20 0 GFADRO O=C(NCCC1CC[NH2+]CC1)C(=O)Nc1cc(Cl)cc(Br)c1 ZINC000652642455 565937415 /nfs/dbraw/zinc/93/74/15/565937415.db2.gz YLOIAHNIEYAIQX-UHFFFAOYSA-N 1 0 388.693 2.547 20 0 GFADRO COc1ccc2c(c1)CC[C@@H]([NH2+]Cc1ccc(Cl)c(S(N)(=O)=O)c1)C2 ZINC000631110534 565941029 /nfs/dbraw/zinc/94/10/29/565941029.db2.gz IRDYTFDOYZQRKA-OAHLLOKOSA-N 1 0 380.897 2.643 20 0 GFADRO NS(=O)(=O)c1cc(C[NH2+]CCOCc2ccc(Cl)cc2)ccc1Cl ZINC000631103760 565941329 /nfs/dbraw/zinc/94/13/29/565941329.db2.gz AUWSRVXGVCKMAI-UHFFFAOYSA-N 1 0 389.304 2.947 20 0 GFADRO O=C(CCn1cc(Br)cn1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000676507451 565941413 /nfs/dbraw/zinc/94/14/13/565941413.db2.gz UASFKQSWIPLHQA-XJKSGUPXSA-N 1 0 381.318 2.511 20 0 GFADRO O=S1(=O)CC[C@]2(C1)C[C@H]([NH2+]Cc1ccc(CC(F)(F)F)cc1)CCO2 ZINC000631108814 565941758 /nfs/dbraw/zinc/94/17/58/565941758.db2.gz TVPZNLFURGQTPT-HZPDHXFCSA-N 1 0 377.428 2.617 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+][C@@H]1C[C@@H](C)O[C@H]1C ZINC000631223283 565949971 /nfs/dbraw/zinc/94/99/71/565949971.db2.gz SRCSYIGMDYOQMZ-OXJKWZBOSA-N 1 0 385.302 2.618 20 0 GFADRO Cc1c(Br)cc(C[NH2+][C@@H]2COCC[C@H]2O)cc1Br ZINC000631271378 565952000 /nfs/dbraw/zinc/95/20/00/565952000.db2.gz CXLDNGLECBDRSW-CHWSQXEVSA-N 1 0 379.092 2.759 20 0 GFADRO NC(=O)C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000676881119 565952191 /nfs/dbraw/zinc/95/21/91/565952191.db2.gz OXCCCCHKEVNONT-LRDDRELGSA-N 1 0 384.307 2.854 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)[C@H]1CCC[NH2+]CC1 ZINC000653059118 565953148 /nfs/dbraw/zinc/95/31/48/565953148.db2.gz VMQSKJJLGGJILB-ZDUSSCGKSA-N 1 0 382.302 2.544 20 0 GFADRO O=C(c1ccc(Cl)cc1Cl)N1CCN(C(=O)[C@@H]2CCC[NH2+]CC2)CC1 ZINC000653066609 565953158 /nfs/dbraw/zinc/95/31/58/565953158.db2.gz ZRCFUMBKLXGEFD-CYBMUJFWSA-N 1 0 384.307 2.668 20 0 GFADRO O=C(c1c(Cl)cccc1Cl)N1CCN(C(=O)[C@@H]2CCC[NH2+]CC2)CC1 ZINC000653076244 565953439 /nfs/dbraw/zinc/95/34/39/565953439.db2.gz OROJIWMWCCHRNB-CYBMUJFWSA-N 1 0 384.307 2.668 20 0 GFADRO CC(C)(CO)[NH+]1CCN(Cc2cccc(Br)c2OC(F)F)CC1 ZINC000676893185 565953555 /nfs/dbraw/zinc/95/35/55/565953555.db2.gz DLSDKSUVUNXOPS-UHFFFAOYSA-N 1 0 393.272 2.939 20 0 GFADRO CN(C(=O)[C@H](N)CC[NH+](C)C)[C@H]1CCSc2ccc(Br)cc21 ZINC000653086673 565954078 /nfs/dbraw/zinc/95/40/78/565954078.db2.gz ZFDUBZZZNTVQCL-KGLIPLIRSA-N 1 0 386.359 2.723 20 0 GFADRO Cc1cc(S(=O)(=O)NCC[NH2+]C[C@@H]2CCOc3ccccc32)c(C)s1 ZINC000676903678 565954705 /nfs/dbraw/zinc/95/47/05/565954705.db2.gz HPUVYUXIHPFONQ-HNNXBMFYSA-N 1 0 380.535 2.799 20 0 GFADRO O=C([C@@H]1CC[C@@H](C2CC2)[NH2+]1)N1CCN(Cc2ccc(Br)s2)CC1 ZINC000653105842 565955190 /nfs/dbraw/zinc/95/51/90/565955190.db2.gz LUYYBTWDDGHFRM-GJZGRUSLSA-N 1 0 398.370 2.685 20 0 GFADRO C[C@@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[N@@H+]1CC[C@@H](CC(N)=O)C1 ZINC000676908944 565955251 /nfs/dbraw/zinc/95/52/51/565955251.db2.gz RPDKSEVXOIYUMD-UWVGGRQHSA-N 1 0 377.794 2.883 20 0 GFADRO COCC[NH2+]C1CCN(C(=O)CCCc2cccc(Br)c2)CC1 ZINC000653180339 565957272 /nfs/dbraw/zinc/95/72/72/565957272.db2.gz PKIQXIOODAUCMM-UHFFFAOYSA-N 1 0 383.330 2.999 20 0 GFADRO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCN(C(=O)COc3ccccc3Br)C2)C1 ZINC000653185293 565957320 /nfs/dbraw/zinc/95/73/20/565957320.db2.gz ZCKXBWGFRWANLQ-JJRVBVJISA-N 1 0 397.313 2.573 20 0 GFADRO COc1ccc(C(=O)N2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)c(Br)c1 ZINC000653186463 565957707 /nfs/dbraw/zinc/95/77/07/565957707.db2.gz LNJVFMPQMBRZCP-DCGLDWPTSA-N 1 0 397.313 2.816 20 0 GFADRO [NH3+]C[C@]12CCC[C@H]1CN(C(=O)c1cc(=O)[nH]c3c(Br)cccc13)C2 ZINC000653195012 565958282 /nfs/dbraw/zinc/95/82/82/565958282.db2.gz FMUROWKFVJUAGN-VOJFVSQTSA-N 1 0 390.281 2.904 20 0 GFADRO COCC[N@@H+]1CC[C@@H](NC(=O)N[C@@H](C)CCc2ccc(Br)cc2)C1 ZINC000605880276 565958251 /nfs/dbraw/zinc/95/82/51/565958251.db2.gz LKCFPOZOTSAPKA-WMLDXEAASA-N 1 0 398.345 2.790 20 0 GFADRO C[C@@H]1CCCN(C(=O)CCNC(=O)c2ccc(Br)cc2)[C@H]1CC[NH3+] ZINC000653233512 565959650 /nfs/dbraw/zinc/95/96/50/565959650.db2.gz XMAPOEZDCGNHLX-CJNGLKHVSA-N 1 0 396.329 2.545 20 0 GFADRO COCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2cccc(Br)c2)C1 ZINC000653225369 565959750 /nfs/dbraw/zinc/95/97/50/565959750.db2.gz YMWTVYFCRYDDAQ-IXDOHACOSA-N 1 0 381.314 2.780 20 0 GFADRO CCO[C@@H]1CN(C(=O)COc2cc(Cl)c(Cl)cc2Cl)C[C@H]1C[NH3+] ZINC000653243947 565960327 /nfs/dbraw/zinc/96/03/27/565960327.db2.gz RUVKVOYJLKVXDC-YMTOWFKASA-N 1 0 381.687 2.848 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2C(=O)COc2cccc(Br)c2)C1 ZINC000653267191 565960409 /nfs/dbraw/zinc/96/04/09/565960409.db2.gz MBRVXYJXYANKJX-OIISXLGYSA-N 1 0 397.313 2.715 20 0 GFADRO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCCN2C(=O)COc2ccc(Br)cc2)C1 ZINC000653267460 565960791 /nfs/dbraw/zinc/96/07/91/565960791.db2.gz PYNQKTQBNVNIRY-DJIMGWMZSA-N 1 0 397.313 2.715 20 0 GFADRO O=C(Cc1csc(NC(=O)c2cccs2)n1)NCCC1CC[NH2+]CC1 ZINC000653271933 565961232 /nfs/dbraw/zinc/96/12/32/565961232.db2.gz ROAPHWFTBFOHAZ-UHFFFAOYSA-N 1 0 378.523 2.505 20 0 GFADRO Cc1cc(C)c(S(N)(=O)=O)cc1[C@@H](C)[NH2+][C@@H](C(C)C)[C@H](O)C(F)(F)F ZINC000631716175 565969651 /nfs/dbraw/zinc/96/96/51/565969651.db2.gz JJAMYVFLIXUONU-UGFHNGPFSA-N 1 0 382.448 2.549 20 0 GFADRO [NH3+]C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)c1c(Cl)cccc1Cl)C2=O ZINC000653548201 565972018 /nfs/dbraw/zinc/97/20/18/565972018.db2.gz RCLNMBPVCLWVQA-BTDLBPIBSA-N 1 0 384.263 2.616 20 0 GFADRO CS(=O)(=O)c1ccc(-c2nc(CN3CCCCC[C@@H]([NH3+])C3)cs2)cc1 ZINC000631833720 565978057 /nfs/dbraw/zinc/97/80/57/565978057.db2.gz HCDDMQWYCZGCRQ-OAHLLOKOSA-N 1 0 379.551 2.917 20 0 GFADRO OCCC[N@H+](C[C@@H](O)COc1ccc(Cl)cc1Br)C1CC1 ZINC000607152934 565979363 /nfs/dbraw/zinc/97/93/63/565979363.db2.gz FPBVOPZCJGGDED-CYBMUJFWSA-N 1 0 378.694 2.689 20 0 GFADRO CN(C1CC[NH2+]CC1)S(=O)(=O)N1CCc2sccc2[C@H]1c1cccs1 ZINC000631909743 565982534 /nfs/dbraw/zinc/98/25/34/565982534.db2.gz ODPGNHBGVNJNOS-KRWDZBQOSA-N 1 0 397.591 2.686 20 0 GFADRO CCC(C)(C)[NH+]1CCN(Cc2cc(=O)n3cc(Br)ccc3n2)CC1 ZINC000653810216 565984396 /nfs/dbraw/zinc/98/43/96/565984396.db2.gz WKNYTVPHPVEJRA-UHFFFAOYSA-N 1 0 393.329 2.763 20 0 GFADRO O=S(=O)(c1cscc1Br)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000631939217 565984773 /nfs/dbraw/zinc/98/47/73/565984773.db2.gz VIAASVKWIJFHHF-LLVKDONJSA-N 1 0 379.345 2.521 20 0 GFADRO COCCOC[C@@H](O)C[NH+]1CCN(c2cc(Cl)c(Cl)c(Cl)c2)CC1 ZINC000653883983 565986437 /nfs/dbraw/zinc/98/64/37/565986437.db2.gz LAKOLODTLQVZEV-ZDUSSCGKSA-N 1 0 397.730 2.793 20 0 GFADRO C[C@H](O)C[N@H+](C[C@@H](O)COc1ccc(Cl)cc1Br)C1CC1 ZINC000653898961 565987610 /nfs/dbraw/zinc/98/76/10/565987610.db2.gz UQBPWTJPUGHBQA-GXFFZTMASA-N 1 0 378.694 2.687 20 0 GFADRO C[C@@H]1C[C@H]([NH3+])CN1S(=O)(=O)c1ccc(Br)cc1C(F)(F)F ZINC000631973918 565988069 /nfs/dbraw/zinc/98/80/69/565988069.db2.gz NKLBQEMANNXRFT-APPZFPTMSA-N 1 0 387.221 2.578 20 0 GFADRO Cc1csc(-c2ccc(S(=O)(=O)N3CCC[C@H]4C[NH2+]CC[C@@H]43)cc2)n1 ZINC000631993162 565989577 /nfs/dbraw/zinc/98/95/77/565989577.db2.gz LQYFKUODGRGYTE-RDJZCZTQSA-N 1 0 377.535 2.881 20 0 GFADRO CC[C@H](C[NH+]1CCCC1)NS(=O)(=O)c1cc(C)ccc1Br ZINC000677960822 565989966 /nfs/dbraw/zinc/98/99/66/565989966.db2.gz QACAEHUSVCRNOH-CYBMUJFWSA-N 1 0 375.332 2.910 20 0 GFADRO CC(C)c1cc(Br)ccc1NC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000654024908 565990948 /nfs/dbraw/zinc/99/09/48/565990948.db2.gz WJSJVZGUOBNHTG-UONOGXRCSA-N 1 0 382.302 2.855 20 0 GFADRO O=S(=O)(c1cscc1Br)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000632017073 565991089 /nfs/dbraw/zinc/99/10/89/565991089.db2.gz MKUKERGVLUUPIP-LLVKDONJSA-N 1 0 379.345 2.617 20 0 GFADRO C[C@@H](C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1)c1ccc(Br)cc1 ZINC000678008831 565993178 /nfs/dbraw/zinc/99/31/78/565993178.db2.gz DUHTZMOLFUUTKH-QAPCUYQASA-N 1 0 394.357 2.791 20 0 GFADRO COc1cc(F)c(S(=O)(=O)N2CCC(CCC[NH+](C)C)CC2)c(F)c1 ZINC000678040801 565995693 /nfs/dbraw/zinc/99/56/93/565995693.db2.gz RAPABSASFFVBPB-UHFFFAOYSA-N 1 0 376.469 2.716 20 0 GFADRO C[N@H+](CCN1CCCS1(=O)=O)[C@H]1CCCc2ccc(Br)cc21 ZINC000678312294 566007229 /nfs/dbraw/zinc/00/72/29/566007229.db2.gz HQJAUGRYNGUHKX-INIZCTEOSA-N 1 0 387.343 2.794 20 0 GFADRO O=C(Nc1ccc(F)c(Br)c1)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000608336061 566011046 /nfs/dbraw/zinc/01/10/46/566011046.db2.gz LLIAXKRWZQUNIV-GJZGRUSLSA-N 1 0 386.265 2.651 20 0 GFADRO C[C@@H](CNC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)Oc1ccc(Br)cc1 ZINC000654465385 566011247 /nfs/dbraw/zinc/01/12/47/566011247.db2.gz QXGUACSQIXGWBX-KCQAQPDRSA-N 1 0 384.318 2.856 20 0 GFADRO C[NH+](C)CCCS(=O)(=O)NCc1nc(-c2cc3ccccc3o2)cs1 ZINC000632229937 566012795 /nfs/dbraw/zinc/01/27/95/566012795.db2.gz JSKLGWYHEJKMRC-UHFFFAOYSA-N 1 0 379.507 2.927 20 0 GFADRO CC[C@@H]([NH2+]C[C@H]1CCCN1S(C)(=O)=O)c1ccccc1Br ZINC000678605522 566014197 /nfs/dbraw/zinc/01/41/97/566014197.db2.gz OYKNWAIXLZHHPV-IUODEOHRSA-N 1 0 375.332 2.914 20 0 GFADRO C[C@@H](Cc1cc(Br)ccc1F)[NH2+]C1CCN(S(C)(=O)=O)CC1 ZINC000678607511 566015114 /nfs/dbraw/zinc/01/51/14/566015114.db2.gz MDMGMKXMBMSIPI-NSHDSACASA-N 1 0 393.322 2.533 20 0 GFADRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)N[C@H](CCO)c2ccccc2Br)C1 ZINC000654662681 566018113 /nfs/dbraw/zinc/01/81/13/566018113.db2.gz YRPVRIZUCNCSKW-DVOMOZLQSA-N 1 0 384.318 2.512 20 0 GFADRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)N2CCc3c(F)cc(Br)cc3C2)C1 ZINC000654660651 566018211 /nfs/dbraw/zinc/01/82/11/566018211.db2.gz AYKMQPZJQNIYQQ-VDISTLRHSA-N 1 0 384.293 2.996 20 0 GFADRO Cc1cc(S(=O)(=O)NCC[N@H+]2CC[C@H](C)C2)c(C)cc1Br ZINC000608745258 566021204 /nfs/dbraw/zinc/02/12/04/566021204.db2.gz MBFBGOGGFPOLTM-NSHDSACASA-N 1 0 375.332 2.686 20 0 GFADRO C[C@@H](C[NH2+][C@@H]1CCN(C2CCOCC2)C1=O)c1cccc(Br)c1 ZINC000678936615 566025350 /nfs/dbraw/zinc/02/53/50/566025350.db2.gz SNNDFIAORHOOOX-SUMWQHHRSA-N 1 0 381.314 2.922 20 0 GFADRO COC(=O)[C@@H](C)CN(Cc1cc2c(cc1Br)OCCO2)C1CC1 ZINC000608862672 566025678 /nfs/dbraw/zinc/02/56/78/566025678.db2.gz KLHXHPKCBHUIDW-NSHDSACASA-N 1 0 384.270 2.994 20 0 GFADRO C[C@@H](C[NH2+][C@H]1CCN(C2CCOCC2)C1=O)c1cccc(Br)c1 ZINC000678936613 566026042 /nfs/dbraw/zinc/02/60/42/566026042.db2.gz SNNDFIAORHOOOX-GUYCJALGSA-N 1 0 381.314 2.922 20 0 GFADRO C[NH+](C)CCn1ccc(C(=O)N2CCc3c(F)cc(Br)cc3C2)n1 ZINC000654892164 566028554 /nfs/dbraw/zinc/02/85/54/566028554.db2.gz CDRLXSLJNCEMHZ-UHFFFAOYSA-N 1 0 395.276 2.545 20 0 GFADRO CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc(C)cc1Br ZINC000632407747 566029358 /nfs/dbraw/zinc/02/93/58/566029358.db2.gz FATAAJIINIGGHU-UHFFFAOYSA-N 1 0 375.332 2.862 20 0 GFADRO CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cc(Br)ccc1F ZINC000632408117 566029366 /nfs/dbraw/zinc/02/93/66/566029366.db2.gz UBPCQTLZTCBLOH-UHFFFAOYSA-N 1 0 379.295 2.693 20 0 GFADRO COC(=O)c1ccc(S(=O)(=O)NCCC[N@@H+]2CCCC[C@H]2C)c(Cl)c1 ZINC000609196160 566032263 /nfs/dbraw/zinc/03/22/63/566032263.db2.gz CXTQAKBFDJLYNM-CYBMUJFWSA-N 1 0 388.917 2.669 20 0 GFADRO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)c1ccc(I)c(F)c1 ZINC000609383265 566038093 /nfs/dbraw/zinc/03/80/93/566038093.db2.gz KVGFUTVNUBKUPK-GFCCVEGCSA-N 1 0 388.224 2.644 20 0 GFADRO C[C@H](NC(=O)CCCCc1ccc(Cl)c(Cl)c1)C(=O)NCC[NH+](C)C ZINC000655081656 566038996 /nfs/dbraw/zinc/03/89/96/566038996.db2.gz YGEKQNBHZKXJPQ-ZDUSSCGKSA-N 1 0 388.339 2.889 20 0 GFADRO CN(CCC(=O)N[C@H](CO)c1ccc(Br)cc1)c1cc[nH+]cc1 ZINC000679411512 566040788 /nfs/dbraw/zinc/04/07/88/566040788.db2.gz DSWRZSPZRULYCM-MRXNPFEDSA-N 1 0 378.270 2.520 20 0 GFADRO O=C(CCC[S@@](=O)c1ccc(Br)cc1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000609548728 566044731 /nfs/dbraw/zinc/04/47/31/566044731.db2.gz ZXILSCSSVIPYIK-QKFKETGDSA-N 1 0 399.354 2.690 20 0 GFADRO O=C(NCC1([NH+]2CCSCC2)CCCC1)N1CCC[C@@H](OC(F)F)C1 ZINC000679684797 566049814 /nfs/dbraw/zinc/04/98/14/566049814.db2.gz PIWAJIMBSURJOT-CQSZACIVSA-N 1 0 377.501 2.761 20 0 GFADRO C[N@@H+]1CCC[C@@H](CCNC(=O)c2cnc3ncc(Br)cc3c2)C1 ZINC000655330057 566053001 /nfs/dbraw/zinc/05/30/01/566053001.db2.gz IIZXWDXDOQNAKU-LBPRGKRZSA-N 1 0 377.286 2.854 20 0 GFADRO COc1cc(Br)ccc1CCC(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000679888354 566055885 /nfs/dbraw/zinc/05/58/85/566055885.db2.gz VDUADZAMMFGYGD-INIZCTEOSA-N 1 0 381.314 2.991 20 0 GFADRO O=C(NC[C@@H]1CCN(c2ccc(Br)cc2)C1)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000655445974 566056934 /nfs/dbraw/zinc/05/69/34/566056934.db2.gz WCZIWLCZEFZNSU-FNHZYXHNSA-N 1 0 392.341 2.781 20 0 GFADRO CO[C@H](C(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1)c1ccccc1Br ZINC000655461369 566057213 /nfs/dbraw/zinc/05/72/13/566057213.db2.gz AUEKGUCDLHLLHM-PBHICJAKSA-N 1 0 381.314 2.985 20 0 GFADRO CSc1cc(Br)ccc1C(=O)N1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000655465000 566057542 /nfs/dbraw/zinc/05/75/42/566057542.db2.gz OOQLGPQMUSHROJ-GFCCVEGCSA-N 1 0 399.354 2.999 20 0 GFADRO O=C(NC[C@@H]1CCN(c2cccc(Br)c2)C1)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000655445797 566057615 /nfs/dbraw/zinc/05/76/15/566057615.db2.gz NABGMRAQNBCDOQ-FNHZYXHNSA-N 1 0 392.341 2.781 20 0 GFADRO [NH3+]C[C@H](NC(=O)[C@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl)C(F)(F)F ZINC000655508142 566061122 /nfs/dbraw/zinc/06/11/22/566061122.db2.gz BPKORHSATLDTPP-NEPJUHHUSA-N 1 0 398.212 2.604 20 0 GFADRO [NH3+]C[C@@H](NC(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1)C(F)(F)F ZINC000655508396 566061142 /nfs/dbraw/zinc/06/11/42/566061142.db2.gz DBUTUMABSKVCPD-NWDGAFQWSA-N 1 0 398.212 2.604 20 0 GFADRO Cc1c(Br)cccc1CS(=O)(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000655533741 566065431 /nfs/dbraw/zinc/06/54/31/566065431.db2.gz NRANUMIOAJSVKV-BXUZGUMPSA-N 1 0 387.343 2.802 20 0 GFADRO Cc1c(Br)cccc1CS(=O)(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000655533742 566065514 /nfs/dbraw/zinc/06/55/14/566065514.db2.gz NRANUMIOAJSVKV-FZMZJTMJSA-N 1 0 387.343 2.802 20 0 GFADRO C[C@H](NC[C@@H](O)C[NH+]1CCCC1)c1nc(-c2ccc(Br)cc2)no1 ZINC000680428332 566071295 /nfs/dbraw/zinc/07/12/95/566071295.db2.gz ZGIUGASYQLEQLK-SWLSCSKDSA-N 1 0 395.301 2.606 20 0 GFADRO C[NH+](C)[C@H]1C[C@@H](CNS(=O)(=O)c2ccc(Cl)c(Br)c2)C1 ZINC000655632255 566074033 /nfs/dbraw/zinc/07/40/33/566074033.db2.gz IHDHBIFLGAPSNR-AOOOYVTPSA-N 1 0 381.723 2.721 20 0 GFADRO [NH3+]C[C@H]1CC[C@H](NC(=O)C(=O)Nc2cccc(Cl)c2Br)CC1 ZINC000633037205 566080500 /nfs/dbraw/zinc/08/05/00/566080500.db2.gz PWDCXNSUKVKIOQ-MGCOHNPYSA-N 1 0 388.693 2.675 20 0 GFADRO Cc1c(Br)cccc1NC(=O)C(=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000633045795 566080743 /nfs/dbraw/zinc/08/07/43/566080743.db2.gz OMWCTKOGPPOKKM-LBPRGKRZSA-N 1 0 382.302 2.590 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)C(=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000633047670 566082097 /nfs/dbraw/zinc/08/20/97/566082097.db2.gz UWYGWEDXAFDWNO-ZDUSSCGKSA-N 1 0 382.302 2.590 20 0 GFADRO C[NH+]1CCN(c2ccnc(-c3noc(-c4coc(Br)c4)n3)c2)CC1 ZINC000680780363 566082540 /nfs/dbraw/zinc/08/25/40/566082540.db2.gz ZLCRKUGQNXHETJ-UHFFFAOYSA-N 1 0 390.241 2.906 20 0 GFADRO O[C@H](C[NH2+]C1CCN([C@@H]2CCOC2)CC1)COc1cccc(Cl)c1Cl ZINC000655699932 566082637 /nfs/dbraw/zinc/08/26/37/566082637.db2.gz HZXBZAXGBSXXJD-HUUCEWRRSA-N 1 0 389.323 2.576 20 0 GFADRO COCCN(C)CC[NH2+]Cc1cn(-c2ccccc2Br)nc1C ZINC000655724878 566083676 /nfs/dbraw/zinc/08/36/76/566083676.db2.gz JCMLTKZWJBJNLT-UHFFFAOYSA-N 1 0 381.318 2.611 20 0 GFADRO Cc1nn(-c2cccc(Br)c2)cc1C[NH2+][C@@H]1CCC(=O)N(C)C1 ZINC000655741130 566085883 /nfs/dbraw/zinc/08/58/83/566085883.db2.gz FRJPQJANHDZFBU-OAHLLOKOSA-N 1 0 377.286 2.654 20 0 GFADRO Cc1nn(-c2cccc(Br)c2)cc1C[NH2+][C@@]1(CCO)CCOC1 ZINC000655766511 566087185 /nfs/dbraw/zinc/08/71/85/566087185.db2.gz HQXWJPFFDLBHRG-KRWDZBQOSA-N 1 0 380.286 2.574 20 0 GFADRO CO[C@]1(C[NH2+]Cc2cn(-c3ccccc3Br)nc2C)CCOC1 ZINC000655759519 566087285 /nfs/dbraw/zinc/08/72/85/566087285.db2.gz BSLSERCFAQFZJJ-KRWDZBQOSA-N 1 0 380.286 2.838 20 0 GFADRO Cc1nn(-c2ccccc2Br)cc1C[NH2+]C[C@H]1CC[C@@H](CO)O1 ZINC000655776168 566088227 /nfs/dbraw/zinc/08/82/27/566088227.db2.gz JFPGBALEYHMZFC-CABCVRRESA-N 1 0 380.286 2.573 20 0 GFADRO Cc1nn(-c2ccccc2Br)cc1C[NH2+]CCC1(O)CCOCC1 ZINC000655772999 566088461 /nfs/dbraw/zinc/08/84/61/566088461.db2.gz VERMXXFXGGYYPB-UHFFFAOYSA-N 1 0 394.313 2.964 20 0 GFADRO Cc1nn(-c2ccccc2Br)cc1C[NH2+][C@@H](C)C(=O)NC(C)C ZINC000655781227 566088544 /nfs/dbraw/zinc/08/85/44/566088544.db2.gz CQGDJUZFKKQRTQ-ZDUSSCGKSA-N 1 0 379.302 2.946 20 0 GFADRO Cc1nn(-c2cccc(Br)c2)cc1C[NH2+]C[C@@H]1CCCC(=O)N1 ZINC000655768953 566088628 /nfs/dbraw/zinc/08/86/28/566088628.db2.gz SXKBLQCOJAFQPN-HNNXBMFYSA-N 1 0 377.286 2.702 20 0 GFADRO O=C(NC[C@@H]1CCCC[N@H+]1CCO)c1oc2ccccc2c1Br ZINC000633255852 566091775 /nfs/dbraw/zinc/09/17/75/566091775.db2.gz FDLCQGISPOXMHS-LBPRGKRZSA-N 1 0 381.270 2.772 20 0 GFADRO Cc1cccc(NC(=O)NCC(C)(C)N2CC[NH+](C)CC2)c1Br ZINC000681100316 566094598 /nfs/dbraw/zinc/09/45/98/566094598.db2.gz GGZCPCRYDHGLQZ-UHFFFAOYSA-N 1 0 383.334 2.905 20 0 GFADRO C[C@@H](NC(=O)N[C@H](C[NH3+])C(F)(F)F)c1noc(-c2ccc(Cl)cc2)n1 ZINC000655920108 566095170 /nfs/dbraw/zinc/09/51/70/566095170.db2.gz KTQNGWBTIJFBCN-GMSGAONNSA-N 1 0 377.754 2.640 20 0 GFADRO [NH3+]C[C@H](NC(=O)N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1)C(F)(F)F ZINC000655915371 566095329 /nfs/dbraw/zinc/09/53/29/566095329.db2.gz MYVQCPQITZDRTG-RYUDHWBXSA-N 1 0 386.201 2.966 20 0 GFADRO CC[C@@H](C[NH+]1CCCC1)NS(=O)(=O)c1ccc(Br)cc1C ZINC000681155301 566096315 /nfs/dbraw/zinc/09/63/15/566096315.db2.gz UCDATRGMKABEMD-AWEZNQCLSA-N 1 0 375.332 2.910 20 0 GFADRO C[NH+](C)[C@@]1(CNC(=O)N2Cc3cccc(Br)c3C2)CCSC1 ZINC000681161858 566096835 /nfs/dbraw/zinc/09/68/35/566096835.db2.gz OEEQKZRZSKCWLK-MRXNPFEDSA-N 1 0 384.343 2.912 20 0 GFADRO [NH3+]C[C@@H](NC(=O)N1CC[C@@H](c2cccc(Br)c2)C1)C(F)(F)F ZINC000655931824 566097739 /nfs/dbraw/zinc/09/77/39/566097739.db2.gz PWLDQQQZQQVKLB-ZYHUDNBSSA-N 1 0 380.208 2.838 20 0 GFADRO Cc1c(Br)cccc1CS(=O)(=O)NCCC1CC[NH2+]CC1 ZINC000655953818 566098549 /nfs/dbraw/zinc/09/85/49/566098549.db2.gz RAONDXPBRPCHJX-UHFFFAOYSA-N 1 0 375.332 2.567 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)NCCCc2c(Cl)cccc2Cl)C1 ZINC000656029606 566100887 /nfs/dbraw/zinc/10/08/87/566100887.db2.gz ARRFJJGOQBWPET-QWHCGFSZSA-N 1 0 386.323 2.628 20 0 GFADRO OCCC1([NH2+]Cc2ncc(Br)cc2Br)CCOCC1 ZINC000681487029 566109592 /nfs/dbraw/zinc/10/95/92/566109592.db2.gz NBTQGTKXGLDYHM-UHFFFAOYSA-N 1 0 394.107 2.628 20 0 GFADRO CCN(C(=O)c1ccc2cncc(Br)c2n1)[C@H]1CC[N@H+](CC)C1 ZINC000633616787 566110940 /nfs/dbraw/zinc/11/09/40/566110940.db2.gz CHNTZNHUKDCECV-ZDUSSCGKSA-N 1 0 377.286 2.949 20 0 GFADRO Cc1ccc2c(c1Br)CN(C(=O)c1cnn(CC[NH+](C)C)c1)C2 ZINC000633651491 566112345 /nfs/dbraw/zinc/11/23/45/566112345.db2.gz CLZTWVCGHPTNJK-UHFFFAOYSA-N 1 0 377.286 2.672 20 0 GFADRO CNC(=O)[C@H]1CCC[N@H+](Cc2cn(-c3cccc(Br)c3)nc2C)C1 ZINC000656252675 566117884 /nfs/dbraw/zinc/11/78/84/566117884.db2.gz VSJGWDWVWXAHQG-AWEZNQCLSA-N 1 0 391.313 2.901 20 0 GFADRO Cc1cc(Br)cc(CN2CC[N@@H+]3C[C@H](O)C[C@H]3C2)c1OC(F)F ZINC000656273685 566122649 /nfs/dbraw/zinc/12/26/49/566122649.db2.gz NTAXWCSGMXSSHJ-UONOGXRCSA-N 1 0 391.256 2.610 20 0 GFADRO Brc1cnn(Cc2cn([C@@H]3CC[N@H+](Cc4ccccc4)C3)nn2)c1 ZINC000656455398 566128002 /nfs/dbraw/zinc/12/80/02/566128002.db2.gz FRIMWIYBXCBHAH-QGZVFWFLSA-N 1 0 387.285 2.732 20 0 GFADRO CS(=O)(=O)Nc1cccc(C[NH2+]C[C@]2(O)CCC[C@H](C(F)(F)F)C2)c1 ZINC000681983901 566136647 /nfs/dbraw/zinc/13/66/47/566136647.db2.gz RYFWWCFMRBBPTL-ZFWWWQNUSA-N 1 0 380.432 2.631 20 0 GFADRO C[NH+](C)CC1CCN(C(=O)c2cnc3ncc(Br)cc3c2)CC1 ZINC000681994311 566137458 /nfs/dbraw/zinc/13/74/58/566137458.db2.gz DNOGIBUCHYIFCM-UHFFFAOYSA-N 1 0 377.286 2.806 20 0 GFADRO CN(CCC[NH2+][C@H](c1ccc(Br)s1)C1CC1)S(C)(=O)=O ZINC000682191073 566146260 /nfs/dbraw/zinc/14/62/60/566146260.db2.gz OODSNLIBQJSXIF-ZDUSSCGKSA-N 1 0 381.361 2.833 20 0 GFADRO CC1(C)C[N@H+](C[C@H](O)COc2cc(F)cc(Br)c2)CCCO1 ZINC000682219273 566147610 /nfs/dbraw/zinc/14/76/10/566147610.db2.gz VTGKRMYDKLKTQM-AWEZNQCLSA-N 1 0 376.266 2.829 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)C(=O)N1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000682355085 566151207 /nfs/dbraw/zinc/15/12/07/566151207.db2.gz KIFYBFFNDUYONA-OAHLLOKOSA-N 1 0 396.329 2.939 20 0 GFADRO Cc1cc(Br)cc(NC(=O)C(=O)N2CCC[C@@H]([NH2+]C(C)C)C2)c1 ZINC000682352780 566151440 /nfs/dbraw/zinc/15/14/40/566151440.db2.gz PTANOLJWAWBLNT-CQSZACIVSA-N 1 0 382.302 2.685 20 0 GFADRO COC(=O)[C@@H](NC(=O)C[N@H+](C)[C@H]1CCSC1)c1ccc(Cl)cc1Cl ZINC000612091848 566151564 /nfs/dbraw/zinc/15/15/64/566151564.db2.gz LHIGBFPIMUALNP-NHYWBVRUSA-N 1 0 391.320 2.761 20 0 GFADRO COC[C@@H]([NH2+][C@H](C)C(=O)Nc1cccc(Br)c1)C1CCOCC1 ZINC000656678753 566154569 /nfs/dbraw/zinc/15/45/69/566154569.db2.gz MXAUFLXHEPSFJJ-MLGOLLRUSA-N 1 0 385.302 2.807 20 0 GFADRO CO[C@H](C[NH2+][C@@H]1CCN(c2ccc(Br)c(C)c2)C1=O)[C@H]1CCOC1 ZINC000656675925 566155036 /nfs/dbraw/zinc/15/50/36/566155036.db2.gz FAAARXPUTJEGQX-IAOVAPTHSA-N 1 0 397.313 2.504 20 0 GFADRO O=C(NCC1([NH+]2CCSCC2)CCCC1)c1cnn(CC(F)(F)F)c1 ZINC000682457108 566155045 /nfs/dbraw/zinc/15/50/45/566155045.db2.gz VPLGAVXGMMLPBA-UHFFFAOYSA-N 1 0 376.448 2.537 20 0 GFADRO CS(=O)(=O)CC1(CC[NH2+]C[C@@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000656703309 566155531 /nfs/dbraw/zinc/15/55/31/566155531.db2.gz BUFBHJWRUJTNMK-CYBMUJFWSA-N 1 0 396.336 2.538 20 0 GFADRO Cn1ncc(C2CCC2)c1C[NH2+]C[C@@H](O)COc1ccc(Br)cc1 ZINC000656712302 566157156 /nfs/dbraw/zinc/15/71/56/566157156.db2.gz SGQLVMRVAVJUQD-OAHLLOKOSA-N 1 0 394.313 2.980 20 0 GFADRO Cc1ccc(Cl)c(OC[C@H](O)C[NH2+]CC2(S(C)(=O)=O)CCCCC2)c1 ZINC000656712957 566157242 /nfs/dbraw/zinc/15/72/42/566157242.db2.gz DVKSLJLISIARFU-OAHLLOKOSA-N 1 0 389.945 2.725 20 0 GFADRO CC(C)[C@@H](C[NH2+][C@@H](C(N)=O)c1cccc(Br)c1)c1ccnn1C ZINC000682612496 566165957 /nfs/dbraw/zinc/16/59/57/566165957.db2.gz CMANSNGSAULHRR-GDBMZVCRSA-N 1 0 379.302 2.738 20 0 GFADRO Cc1c(Br)cncc1C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000612581873 566167693 /nfs/dbraw/zinc/16/76/93/566167693.db2.gz WKDALXFYRUZNHY-SJORKVTESA-N 1 0 396.329 2.650 20 0 GFADRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2cc(Br)cc3c2OCCO3)C1 ZINC000612649380 566168593 /nfs/dbraw/zinc/16/85/93/566168593.db2.gz LGGYRKBUJHNCNC-SWLSCSKDSA-N 1 0 395.297 2.777 20 0 GFADRO CCn1c2ccc(Br)cc2nc1C[NH2+]C[C@@H](O)C[C@](C)(O)C1CC1 ZINC000634712328 566171555 /nfs/dbraw/zinc/17/15/55/566171555.db2.gz CSENDLFOWDFGKQ-KSSFIOAISA-N 1 0 396.329 2.820 20 0 GFADRO CC[NH+]1CCN(CCCNC(=O)c2ccc(C)c(Br)c2C)CC1 ZINC000682863414 566172820 /nfs/dbraw/zinc/17/28/20/566172820.db2.gz IRIHCKBEVKQQDN-UHFFFAOYSA-N 1 0 382.346 2.823 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S(=O)(=O)CC[NH2+][C@@H]1CCCC12CC2 ZINC000634724828 566173158 /nfs/dbraw/zinc/17/31/58/566173158.db2.gz YJUDPKUGKDFPJL-QGZVFWFLSA-N 1 0 385.551 2.566 20 0 GFADRO O=S(=O)(c1cc(Cl)cc(Br)c1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000656892401 566176382 /nfs/dbraw/zinc/17/63/82/566176382.db2.gz CHRFRQGEKUNEMG-CYBMUJFWSA-N 1 0 393.734 2.961 20 0 GFADRO C[C@@H](NC(=O)N[C@]1(C)CC[NH2+]C1)c1nc(-c2ccc(Br)cc2)no1 ZINC000612892972 566179080 /nfs/dbraw/zinc/17/90/80/566179080.db2.gz ZFJVYBJULLZLPL-QLJPJBMISA-N 1 0 394.273 2.611 20 0 GFADRO C[C@H](NC(=O)N[C@]1(C)CC[NH2+]C1)c1nc(-c2ccc(Br)cc2)no1 ZINC000612892970 566179261 /nfs/dbraw/zinc/17/92/61/566179261.db2.gz ZFJVYBJULLZLPL-MGPLVRAMSA-N 1 0 394.273 2.611 20 0 GFADRO O=C(N[C@@H]1CC12CC[NH2+]CC2)N1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000612966449 566180610 /nfs/dbraw/zinc/18/06/10/566180610.db2.gz PIURTGCUJIWRQW-JKSUJKDBSA-N 1 0 394.313 2.674 20 0 GFADRO Cc1cc(Br)cc2c1CN(C(=O)N[C@H]1CC13CC[NH2+]CC3)CC2 ZINC000612980815 566181372 /nfs/dbraw/zinc/18/13/72/566181372.db2.gz VPIIFSUEOMGQTO-INIZCTEOSA-N 1 0 378.314 2.967 20 0 GFADRO OCC[NH2+]C1CCN(Cc2ccc(Br)c(Br)c2)CC1 ZINC000635001115 566187840 /nfs/dbraw/zinc/18/78/40/566187840.db2.gz HGLWLYYBVOIVTM-UHFFFAOYSA-N 1 0 392.135 2.758 20 0 GFADRO C[NH+](C)C1(CNc2c(F)cc(S(N)(=O)=O)cc2Br)CCCC1 ZINC000683186536 566187770 /nfs/dbraw/zinc/18/77/70/566187770.db2.gz DZXMFQWCLBWLBW-UHFFFAOYSA-N 1 0 394.310 2.522 20 0 GFADRO O=C(Nc1ccc(Br)cc1)C1CCN(CC23CC(C2)C[NH2+]3)CC1 ZINC000634994239 566188422 /nfs/dbraw/zinc/18/84/22/566188422.db2.gz WLBUJTUNFHVLBJ-UHFFFAOYSA-N 1 0 378.314 2.852 20 0 GFADRO Cn1ncc(Br)c1CN[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000635020494 566189388 /nfs/dbraw/zinc/18/93/88/566189388.db2.gz LNWMRIWHMMMFAK-YOEHRIQHSA-N 1 0 377.286 2.528 20 0 GFADRO Cn1ncc(Br)c1CN[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000635020491 566189476 /nfs/dbraw/zinc/18/94/76/566189476.db2.gz LNWMRIWHMMMFAK-RHSMWYFYSA-N 1 0 377.286 2.528 20 0 GFADRO O=C1N[C@H](Cc2cc(Cl)cc(Cl)c2)C(=O)N1[C@H]1CC[N@H+](CC2CC2)C1 ZINC000683288223 566192346 /nfs/dbraw/zinc/19/23/46/566192346.db2.gz VUMPXVWVHQDKHP-JKSUJKDBSA-N 1 0 382.291 2.941 20 0 GFADRO C[C@H]1COCC[C@H]1[NH2+]Cc1nnnn1-c1ccc(Cl)cc1C(F)(F)F ZINC000683372427 566196474 /nfs/dbraw/zinc/19/64/74/566196474.db2.gz GRKBXTQGHFPWJM-JOYOIKCWSA-N 1 0 375.782 2.849 20 0 GFADRO CN(Cc1ccc(Cl)s1)C(=O)CN1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000613422190 566197673 /nfs/dbraw/zinc/19/76/73/566197673.db2.gz GRCYBOFQYYAEOD-HNNXBMFYSA-N 1 0 385.961 2.547 20 0 GFADRO CCCOc1ccc(Br)cc1S(=O)(=O)NC[C@@H](C)C[NH+](C)C ZINC000656994450 566202133 /nfs/dbraw/zinc/20/21/33/566202133.db2.gz MWKMMNCTTOHFEL-GFCCVEGCSA-N 1 0 393.347 2.714 20 0 GFADRO CC(C)[N@@H+]1CCC[C@@H](NC(=O)c2cc(Br)cc3[nH]c(=O)[nH]c32)C1 ZINC000613579334 566202484 /nfs/dbraw/zinc/20/24/84/566202484.db2.gz LYJKXZAFXDVUSR-LLVKDONJSA-N 1 0 381.274 2.634 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@@H]1CNS(=O)(=O)CCc1ccccc1Br ZINC000657035356 566210452 /nfs/dbraw/zinc/21/04/52/566210452.db2.gz SJJZHWTYVNWQLA-CQSZACIVSA-N 1 0 389.359 2.784 20 0 GFADRO C[N@@H+]1CC[C@H](CC(=O)NC2(c3cccc(Br)c3)CCOCC2)C1 ZINC000635444645 566213957 /nfs/dbraw/zinc/21/39/57/566213957.db2.gz RPSVYKFRSHWACC-CQSZACIVSA-N 1 0 381.314 2.913 20 0 GFADRO COc1cc(Br)cc(S(=O)(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)c1 ZINC000657061708 566215788 /nfs/dbraw/zinc/21/57/88/566215788.db2.gz OJPGVVJJUXHOHV-LBPRGKRZSA-N 1 0 391.331 2.609 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@@H](NS(=O)(=O)Cc2cccc(Br)c2)C1 ZINC000657062124 566216329 /nfs/dbraw/zinc/21/63/29/566216329.db2.gz PTKVXEDNRJBPHW-CQSZACIVSA-N 1 0 375.332 2.741 20 0 GFADRO C[C@@H](CN(C)CCC[NH+](C)C)NS(=O)(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000657071136 566218182 /nfs/dbraw/zinc/21/81/82/566218182.db2.gz GRGJBBZHDAGUBS-ZDUSSCGKSA-N 1 0 396.384 2.685 20 0 GFADRO CC(C)Oc1cc(Br)ccc1C(=O)N1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000683914357 566218393 /nfs/dbraw/zinc/21/83/93/566218393.db2.gz VVHRYVOWZLZNAZ-GOSISDBHSA-N 1 0 399.329 2.765 20 0 GFADRO Cc1ccc(NC(=O)[C@H](C)Oc2ccccc2-c2nn[nH]n2)c(C[NH+](C)C)c1 ZINC000737355171 598868612 /nfs/dbraw/zinc/86/86/12/598868612.db2.gz AZWSKSZIKMYFIN-AWEZNQCLSA-N 1 0 380.452 2.643 20 0 GFADRO CS[C@@H](CO)[C@@H](C)[NH2+]Cc1cccc(OCc2ccccc2-c2nn[nH]n2)c1 ZINC000737169878 598887343 /nfs/dbraw/zinc/88/73/43/598887343.db2.gz FQMSTBFXCXLPHJ-KUHUBIRLSA-N 1 0 399.520 2.648 20 0 GFADRO O[C@@H]1CCCC[C@@H]1[NH2+]Cc1cccc(OCc2cccc(-c3nn[nH]n3)c2)c1 ZINC000738391634 598900944 /nfs/dbraw/zinc/90/09/44/598900944.db2.gz YOLYSZQMHFZQDK-VQTJNVASSA-N 1 0 379.464 2.839 20 0 GFADRO C[N@H+](CCC(=O)Nc1ccccc1-c1nn[nH]n1)[C@@H]1CCc2ccccc2C1 ZINC000736792397 598916881 /nfs/dbraw/zinc/91/68/81/598916881.db2.gz MMWXSQVCKZPTME-QGZVFWFLSA-N 1 0 376.464 2.685 20 0 GFADRO c1coc([C@@H](CNc2c3ccccc3nnc2-c2nn[nH]n2)[NH+]2CCCC2)c1 ZINC000738447006 598935716 /nfs/dbraw/zinc/93/57/16/598935716.db2.gz ADBRJHQEJQPAHS-OAHLLOKOSA-N 1 0 376.424 2.652 20 0 GFADRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)c(C)c1 ZINC000737318352 598961301 /nfs/dbraw/zinc/96/13/01/598961301.db2.gz AGBNUOUVFMFCOH-BEFAXECRSA-N 1 0 376.464 2.940 20 0 GFADRO COc1cc(-c2nn[nH]n2)ccc1OCC[N@H+](C)CCOc1ccc(C)cc1 ZINC000737032504 598981130 /nfs/dbraw/zinc/98/11/30/598981130.db2.gz LQFCUBMRCCGDCD-UHFFFAOYSA-N 1 0 383.452 2.573 20 0 GFADRO CC[NH+](CC)[C@@H](CNC(=O)c1ccc(-c2nn[nH]n2)nc1)c1ccccc1Cl ZINC000736532819 598983377 /nfs/dbraw/zinc/98/33/77/598983377.db2.gz DGYYZRSZUQEQEW-KRWDZBQOSA-N 1 0 399.886 2.728 20 0 GFADRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1CCOc1cccc(-c2nn[nH]n2)c1 ZINC000736290524 598993053 /nfs/dbraw/zinc/99/30/53/598993053.db2.gz QPSRQWYWQMCTSV-GOSISDBHSA-N 1 0 392.507 2.842 20 0 GFADRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1CCOc1cccc(-c2nn[nH]n2)c1 ZINC000736290526 598993154 /nfs/dbraw/zinc/99/31/54/598993154.db2.gz QPSRQWYWQMCTSV-SFHVURJKSA-N 1 0 392.507 2.842 20 0 GFADRO C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)c2ccc(-c3nn[nH]n3)nc2)cc1 ZINC000736266452 598994257 /nfs/dbraw/zinc/99/42/57/598994257.db2.gz HUOFXWHQFJNVIN-AWEZNQCLSA-N 1 0 377.452 2.888 20 0 GFADRO CN(C[C@H]1CCC[N@H+](C)C1)c1c(-c2nn[nH]n2)cnc2c(F)ccc(Cl)c21 ZINC000736855964 599044283 /nfs/dbraw/zinc/04/42/83/599044283.db2.gz JMKZGJPQLAKXGS-NSHDSACASA-N 1 0 389.866 2.985 20 0 GFADRO Cc1ccccc1C1CC[NH+]([C@@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000737422602 599075348 /nfs/dbraw/zinc/07/53/48/599075348.db2.gz MVBSZLDTFKVZQM-LJQANCHMSA-N 1 0 376.464 2.581 20 0 GFADRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1nc2c(cc1-c1nn[nH]n1)CCC2 ZINC000821597972 599107192 /nfs/dbraw/zinc/10/71/92/599107192.db2.gz MXOSZBWRMIJCRM-KRWDZBQOSA-N 1 0 389.507 2.709 20 0 GFADRO C[C@H](C(=O)N(CC[NH+](C)C)Cc1cccc(-c2nn[nH]n2)c1)c1cccc(F)c1 ZINC000735510623 599188203 /nfs/dbraw/zinc/18/82/03/599188203.db2.gz CEBRGLQCLODTCZ-HNNXBMFYSA-N 1 0 396.470 2.700 20 0 GFADRO Cc1c(NC(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cccc1-c1nn[nH]n1 ZINC000822077309 607282024 /nfs/dbraw/zinc/28/20/24/607282024.db2.gz UMPITJOTCODHJH-KRWDZBQOSA-N 1 0 391.479 2.913 20 0 GFADRO Cc1cc(F)cc2c1ncc(-c1nn[nH]n1)c2NCCC[N@H+]1CCCC[C@H]1C ZINC000737263030 599259418 /nfs/dbraw/zinc/25/94/18/599259418.db2.gz JENLQFGRRJCAJW-CQSZACIVSA-N 1 0 383.475 2.961 20 0 GFADRO O=C(CC[N@@H+]1CCS[C@H](c2ccccc2)C1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000737847965 599272554 /nfs/dbraw/zinc/27/25/54/599272554.db2.gz WGKTXAKNLOGKNH-SFHVURJKSA-N 1 0 394.504 2.985 20 0 GFADRO C[C@@H]([NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1cccc(Cl)c1Cl ZINC000736137243 599275722 /nfs/dbraw/zinc/27/57/22/599275722.db2.gz WIZQZJNLSLFNSD-ZJUUUORDSA-N 1 0 393.282 2.763 20 0 GFADRO O[C@@H](C[NH+]1CCC(Oc2cccc(-c3nn[nH]n3)c2)CC1)c1ccc(F)cc1 ZINC000738383555 598249397 /nfs/dbraw/zinc/24/93/97/598249397.db2.gz WBBVGVAJYLJVFI-IBGZPJMESA-N 1 0 383.427 2.583 20 0 GFADRO O[C@H](C[NH+]1CCC(Oc2cccc(-c3nn[nH]n3)c2)CC1)c1ccc(F)cc1 ZINC000738383556 598249631 /nfs/dbraw/zinc/24/96/31/598249631.db2.gz WBBVGVAJYLJVFI-LJQANCHMSA-N 1 0 383.427 2.583 20 0 GFADRO O=C(Nc1cccc(F)c1)C1CC[NH+](Cc2ccccc2-c2nn[nH]n2)CC1 ZINC000738184640 598251818 /nfs/dbraw/zinc/25/18/18/598251818.db2.gz SUMOAIHLWAUZHO-UHFFFAOYSA-N 1 0 380.427 2.857 20 0 GFADRO C[C@H](NC(=O)N1CCC[C@@H]1C[NH+]1CCCCC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000736114055 598268666 /nfs/dbraw/zinc/26/86/66/598268666.db2.gz UOYMWNTWLMUPDP-MAUKXSAKSA-N 1 0 383.500 2.588 20 0 GFADRO C[N@H+](Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1)[C@@H]1CCCCNC1=O ZINC000736812102 598310349 /nfs/dbraw/zinc/31/03/49/598310349.db2.gz BTQHOQFHYLAJTD-LJQANCHMSA-N 1 0 376.464 2.634 20 0 GFADRO O=C(CC[N@@H+]1CCCO[C@H](c2ccccc2)C1)Nc1sccc1-c1nn[nH]n1 ZINC000737844929 598312239 /nfs/dbraw/zinc/31/22/39/598312239.db2.gz XBRKCVJGXDLOBM-INIZCTEOSA-N 1 0 398.492 2.720 20 0 GFADRO CC[C@@H](CNC(=S)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)[NH+]1CCCC1 ZINC000736349713 598320174 /nfs/dbraw/zinc/32/01/74/598320174.db2.gz JHMKTHARDKCWRS-LBPRGKRZSA-N 1 0 379.921 2.681 20 0 GFADRO C[NH+]1CCC(NC(=O)c2ccc(Oc3cccc(F)c3-c3nn[nH]n3)cc2)CC1 ZINC000736853991 598408758 /nfs/dbraw/zinc/40/87/58/598408758.db2.gz CEIPEFAKBPQOBX-UHFFFAOYSA-N 1 0 396.426 2.622 20 0 GFADRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C=Cc1ccccc1-c1nn[nH]n1 ZINC000736555287 598454554 /nfs/dbraw/zinc/45/45/54/598454554.db2.gz MBCRRWUSEUCEER-BUHFOSPRSA-N 1 0 390.491 2.990 20 0 GFADRO Cc1nnc(N2CCC(C[N@@H+](C)Cc3ccccc3)CC2)c(-c2nn[nH]n2)c1C ZINC000737523550 598456473 /nfs/dbraw/zinc/45/64/73/598456473.db2.gz UNMAYGWQZDJJOY-UHFFFAOYSA-N 1 0 392.511 2.622 20 0 GFADRO c1cc2c(c([C@H]3CCC[N@H+]3CCOc3ccc(-c4nn[nH]n4)cc3)c1)OCCO2 ZINC000738422442 598463780 /nfs/dbraw/zinc/46/37/80/598463780.db2.gz ZGRASFQKVQOHKI-GOSISDBHSA-N 1 0 393.447 2.854 20 0 GFADRO CC(C)(C)[NH+]1CCC(NC(=O)N(Cc2ccc(-c3nn[nH]n3)cc2)C2CC2)CC1 ZINC000735619034 598477641 /nfs/dbraw/zinc/47/76/41/598477641.db2.gz QUYOUWYDAWHQJL-UHFFFAOYSA-N 1 0 397.527 2.804 20 0 GFADRO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)N(Cc1ccc(-c2nn[nH]n2)cc1)C1CC1 ZINC000736252154 598483117 /nfs/dbraw/zinc/48/31/17/598483117.db2.gz PRFTVMVBMIHCOD-HOTGVXAUSA-N 1 0 397.527 2.804 20 0 GFADRO CC(C)([NH2+]C[C@H](O)COc1ccc(-c2nn[nH]n2)cc1)c1ccc(Cl)cc1 ZINC000735678675 598509074 /nfs/dbraw/zinc/50/90/74/598509074.db2.gz UTJSIYHQKNDLGJ-INIZCTEOSA-N 1 0 387.871 2.785 20 0 GFADRO C[C@@H]([NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1csc2ccccc12 ZINC000736135914 598530441 /nfs/dbraw/zinc/53/04/41/598530441.db2.gz QQXKFKNZNRFARN-NEPJUHHUSA-N 1 0 380.481 2.670 20 0 GFADRO C[NH+]1CCC(NC(=O)Nc2ccc(Oc3cccc(-c4nn[nH]n4)c3)cc2)CC1 ZINC000736853864 598565966 /nfs/dbraw/zinc/56/59/66/598565966.db2.gz ARNUJMMJUVGFKX-UHFFFAOYSA-N 1 0 393.451 2.875 20 0 GFADRO C[NH+](C)[C@H]1Cc2ccccc2N(C(=S)Nc2ccccc2-c2nn[nH]n2)C1 ZINC000736760595 598581643 /nfs/dbraw/zinc/58/16/43/598581643.db2.gz AWAIMQBOAFRVKQ-AWEZNQCLSA-N 1 0 379.493 2.556 20 0 GFADRO C[C@@H](c1ccncc1)[NH+]1CCC(C(=O)Nc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000736202709 598620822 /nfs/dbraw/zinc/62/08/22/598620822.db2.gz JJQDJAXXHIBJFC-AWEZNQCLSA-N 1 0 377.452 2.673 20 0 GFADRO C[NH+](C)CCOc1ccc(NC(=O)CSc2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000736769401 598655134 /nfs/dbraw/zinc/65/51/34/598655134.db2.gz RLRSBGUXSUAUIB-UHFFFAOYSA-N 1 0 398.492 2.538 20 0 GFADRO C[NH+](C)CCCOc1ccc(CNC(=O)Nc2cccc(-c3nn[nH]n3)c2)cc1 ZINC000736767437 598698826 /nfs/dbraw/zinc/69/88/26/598698826.db2.gz PVRDYOKLZPMMBS-UHFFFAOYSA-N 1 0 395.467 2.519 20 0 GFADRO CC[N@@H+]1CC[C@H](CNC(=O)c2cccc(Oc3ccc(-c4nn[nH]n4)cc3)c2)C1 ZINC000736565545 598701576 /nfs/dbraw/zinc/70/15/76/598701576.db2.gz LKFADDYZPBBFOS-OAHLLOKOSA-N 1 0 392.463 2.731 20 0 GFADRO CC[C@@H](C)C[N@H+](C)CC(=O)Nc1c(-c2nn[nH]n2)c(C)c(C)n1Cc1ccco1 ZINC000736323181 598703044 /nfs/dbraw/zinc/70/30/44/598703044.db2.gz VKIDWEXXSYWBQI-CYBMUJFWSA-N 1 0 399.499 2.843 20 0 GFADRO CC(C)CN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)NCCC1CC[NH+](C)CC1 ZINC000735831373 598726827 /nfs/dbraw/zinc/72/68/27/598726827.db2.gz PCCJTWRBNWGTTO-UHFFFAOYSA-N 1 0 399.543 2.766 20 0 GFADRO Fc1ccc(Cl)c2c1ncc(-c1nn[nH]n1)c2N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000737658092 598746630 /nfs/dbraw/zinc/74/66/30/598746630.db2.gz CQWRBOUOBIRYAB-NSHDSACASA-N 1 0 387.850 2.882 20 0 GFADRO CC(C)Oc1ccc(-c2nn[nH]n2)cc1NC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1C ZINC000735905526 598760759 /nfs/dbraw/zinc/76/07/59/598760759.db2.gz KFJRUWUBPQBWCU-DLBZAZTESA-N 1 0 399.499 2.744 20 0 GFADRO O=C(CC[N@H+]1CCC[C@@H]1c1ccc(O)cc1)Nc1ccccc1-c1nn[nH]n1 ZINC000737842882 598761529 /nfs/dbraw/zinc/76/15/29/598761529.db2.gz DQZSCPQEPLOHAH-GOSISDBHSA-N 1 0 378.436 2.738 20 0 GFADRO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000736236730 598811099 /nfs/dbraw/zinc/81/10/99/598811099.db2.gz MFNRWPRNLAKBQW-PBHICJAKSA-N 1 0 376.464 2.620 20 0 GFADRO CC(=O)Nc1cccc([C@H](C)[NH2+]CCC(=O)Nc2cccc(-c3nn[nH]n3)c2)c1 ZINC000819826107 599301030 /nfs/dbraw/zinc/30/10/30/599301030.db2.gz DTQBMLKOLUHVSY-ZDUSSCGKSA-N 1 0 393.451 2.505 20 0 GFADRO O[C@@H](C[N@@H+]1CCCN(c2ccccc2-c2nn[nH]n2)CC1)c1cccc(Cl)c1 ZINC000823683293 599305347 /nfs/dbraw/zinc/30/53/47/599305347.db2.gz ZKPIAMDPOZXNAZ-IBGZPJMESA-N 1 0 398.898 2.766 20 0 GFADRO Cc1cccc(NC(=O)[C@H]2CCC[N@@H+]([C@H](C)c3ccc(-c4nn[nH]n4)cc3)C2)n1 ZINC000737401444 599311258 /nfs/dbraw/zinc/31/12/58/599311258.db2.gz YDHOUEOHYUIUJW-QAPCUYQASA-N 1 0 391.479 2.982 20 0 GFADRO Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)n1C[N@H+](C)CCc1cccs1 ZINC000822505426 599329788 /nfs/dbraw/zinc/32/97/88/599329788.db2.gz KOXNPPSGWRDWHA-UHFFFAOYSA-N 1 0 380.481 2.627 20 0 GFADRO Brc1ccc(N2CC[NH+](Cc3ccccc3)CC2)c(-c2nn[nH]n2)c1 ZINC000735369444 599361679 /nfs/dbraw/zinc/36/16/79/599361679.db2.gz UOADTPWRIRMNNQ-UHFFFAOYSA-N 1 0 399.296 2.951 20 0 GFADRO C[C@H]([NH2+]Cc1ccc(C(=O)N2CCCC2)cc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000820433540 599365238 /nfs/dbraw/zinc/36/52/38/599365238.db2.gz YVETUDHSSLALFL-HNNXBMFYSA-N 1 0 376.464 2.954 20 0 GFADRO C[C@@H](C[NH2+][C@@H](C)c1ccc(-c2nn[nH]n2)cc1)N1CCN(c2ccccc2)CC1 ZINC000820418979 599366591 /nfs/dbraw/zinc/36/65/91/599366591.db2.gz CYECOYFDBMDTRH-ROUUACIJSA-N 1 0 391.523 2.728 20 0 GFADRO O=C(OCc1ccc(-c2nn[nH]n2)cc1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000738236487 599366886 /nfs/dbraw/zinc/36/68/86/599366886.db2.gz KESMGZTXFOPVRY-IBGZPJMESA-N 1 0 377.448 2.822 20 0 GFADRO CC(=O)c1ccc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2cccc(-c3nn[nH]n3)c2)cc1 ZINC000819835401 599389294 /nfs/dbraw/zinc/38/92/94/599389294.db2.gz XHPSVOJQRWKLAM-STQMWFEESA-N 1 0 378.436 2.747 20 0 GFADRO c1cnc(Oc2ccc(C[NH2+]CCOc3ccc(-c4nn[nH]n4)cc3)cc2)cn1 ZINC000823809830 599393864 /nfs/dbraw/zinc/39/38/64/599393864.db2.gz QTBZGIAZWMCZFX-UHFFFAOYSA-N 1 0 389.419 2.618 20 0 GFADRO COc1ccc(C[NH2+]Cc2cccnc2OCC(F)(F)F)cc1-c1nn[nH]n1 ZINC000821818216 599401976 /nfs/dbraw/zinc/40/19/76/599401976.db2.gz LHPGYSHYAOUNFL-UHFFFAOYSA-N 1 0 394.357 2.501 20 0 GFADRO C[C@H](NC(=O)NC1CC[NH+](CC2CCCC2)CC1)c1cccc(-c2nn[nH]n2)c1 ZINC000820357572 599424375 /nfs/dbraw/zinc/42/43/75/599424375.db2.gz HYHGMAYLKCOCLJ-HNNXBMFYSA-N 1 0 397.527 2.882 20 0 GFADRO O[C@@H](COc1ccc(-c2nn[nH]n2)cc1)C[NH+]1CCC(c2ccccc2F)CC1 ZINC000738387293 599445562 /nfs/dbraw/zinc/44/55/62/599445562.db2.gz PKWCWKWPSRGZHK-QGZVFWFLSA-N 1 0 397.454 2.625 20 0 GFADRO Clc1ccc(-n2cc(C[NH2+]CCOc3ccc(-c4nn[nH]n4)cc3)cn2)cc1 ZINC000822573552 599450912 /nfs/dbraw/zinc/45/09/12/599450912.db2.gz AIBRDIVUUNWRCQ-UHFFFAOYSA-N 1 0 395.854 2.874 20 0 GFADRO CN1CC[N@H+](CCCNc2ccc(F)cc2-c2nn[nH]n2)[C@H](c2ccccc2)C1 ZINC000821626983 599471807 /nfs/dbraw/zinc/47/18/07/599471807.db2.gz IBOFXOALDIFVCG-FQEVSTJZSA-N 1 0 395.486 2.797 20 0 GFADRO C[C@H](C(=O)Nc1cccc(-c2nn[nH]n2)c1)[N@@H+]1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000735558949 599477294 /nfs/dbraw/zinc/47/72/94/599477294.db2.gz IBRVFEMFZRHGCN-ZBFHGGJFSA-N 1 0 394.454 2.897 20 0 GFADRO C[NH+](C)[C@H](CNc1c(-c2nn[nH]n2)cnc2ccccc21)c1ccc(F)cc1 ZINC000821581086 599485488 /nfs/dbraw/zinc/48/54/88/599485488.db2.gz CARSZWSHPUFVDV-GOSISDBHSA-N 1 0 377.427 2.691 20 0 GFADRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)N(Cc1ccc(-c2nn[nH]n2)cc1)C1CC1 ZINC000736398797 599506720 /nfs/dbraw/zinc/50/67/20/599506720.db2.gz DINAGQXULPUNDG-SFHVURJKSA-N 1 0 397.527 2.805 20 0 GFADRO CC[N@H+](CCc1ccccc1)Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)o1 ZINC000821215500 599564509 /nfs/dbraw/zinc/56/45/09/599564509.db2.gz RMGMQBITWHEDBM-UHFFFAOYSA-N 1 0 375.436 2.981 20 0 GFADRO CN(C[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1-c1nn[nH]n1)C(=O)OC(C)(C)C ZINC000821596329 599591046 /nfs/dbraw/zinc/59/10/46/599591046.db2.gz GXQVFGHRJLILSW-OAHLLOKOSA-N 1 0 390.463 2.837 20 0 GFADRO CN(C[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1-c1nn[nH]n1)C(=O)OC(C)(C)C ZINC000821596328 599591108 /nfs/dbraw/zinc/59/11/08/599591108.db2.gz GXQVFGHRJLILSW-HNNXBMFYSA-N 1 0 390.463 2.837 20 0 GFADRO COc1ccccc1[C@H]1CC[N@H+](CCC(=O)Nc2cccc(-c3nn[nH]n3)c2)C1 ZINC000737147086 599592470 /nfs/dbraw/zinc/59/24/70/599592470.db2.gz JUZARZZOJMLUPS-INIZCTEOSA-N 1 0 392.463 2.693 20 0 GFADRO CCOc1ccc(-c2nn[nH]n2)cc1NC(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000736636517 599610368 /nfs/dbraw/zinc/61/03/68/599610368.db2.gz LGGZFEYMIVIYSS-UHFFFAOYSA-N 1 0 399.499 2.748 20 0 GFADRO O=C(CC[N@H+](C[C@H]1CCCO1)C1CCCC1)Nc1ccccc1-c1nn[nH]n1 ZINC000822964900 599641066 /nfs/dbraw/zinc/64/10/66/599641066.db2.gz SLLVEGYDJSUQLX-MRXNPFEDSA-N 1 0 384.484 2.619 20 0 GFADRO CC[NH+](CC)[C@@H](CNC(=O)N[C@H](C)c1cccc(-c2nn[nH]n2)c1)c1ccco1 ZINC000821182181 599673538 /nfs/dbraw/zinc/67/35/38/599673538.db2.gz SGNSPWUEGGLTEX-PBHICJAKSA-N 1 0 397.483 2.903 20 0 GFADRO C[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(-c2nn[nH]n2)cc1)C1CCCCC1 ZINC000820339247 599675564 /nfs/dbraw/zinc/67/55/64/599675564.db2.gz AKDZWUZRDMAJMX-MRXNPFEDSA-N 1 0 399.543 2.909 20 0 GFADRO Cc1cc[nH+]c(NC[C@@H]2CC[N@@H+]([C@@H](C)C(=O)NCc3ccc(C(=O)[O-])cc3)C2)c1 ZINC000738798445 600095792 /nfs/dbraw/zinc/09/57/92/600095792.db2.gz QGOQOABKSINPFM-WMZOPIPTSA-N 1 0 396.491 2.527 20 0 GFADRO O=C(NC1(c2cccc(-c3nn[nH]n3)c2)CC1)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000826427888 607426666 /nfs/dbraw/zinc/42/66/66/607426666.db2.gz GAPCORCUHOYHET-MRXNPFEDSA-N 1 0 380.496 2.627 20 0 GFADRO CC(C)Oc1ccc(NC(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)cc1-c1nn[nH]n1 ZINC000820164726 607432423 /nfs/dbraw/zinc/43/24/23/607432423.db2.gz KYWGOQIYHDKDNV-BBRMVZONSA-N 1 0 387.488 2.504 20 0 GFADRO COCC(C)(C)[NH2+]Cc1ccc(OCc2cccc(-c3nn[nH]n3)c2)c(OC)c1 ZINC000821680212 607449085 /nfs/dbraw/zinc/44/90/85/607449085.db2.gz CDRLVOORYDDZCB-UHFFFAOYSA-N 1 0 397.479 2.969 20 0 GFADRO Cc1oc(NC(=O)C[N@@H+]2CCC[C@@H](Cc3ccccc3)C2)c(-c2nn[nH]n2)c1C ZINC000822548324 607451057 /nfs/dbraw/zinc/45/10/57/607451057.db2.gz IFXDNYQECPJLRZ-KRWDZBQOSA-N 1 0 394.479 2.970 20 0 GFADRO CC[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)N1CCc2ccccc2C1 ZINC000820908345 607470888 /nfs/dbraw/zinc/47/08/88/607470888.db2.gz LKOGBDZJKJEWMR-IBGZPJMESA-N 1 0 380.471 2.932 20 0 GFADRO C[C@H]([C@@H]1Cc2ccccc2O1)[N@H+](C)CCC(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000824377325 607472518 /nfs/dbraw/zinc/47/25/18/607472518.db2.gz BWFWYAJPIPZNBS-KUHUBIRLSA-N 1 0 392.463 2.519 20 0 GFADRO Fc1ccc(N2CC[C@@H](C[NH2+]Cc3ccc(-c4nn[nH]n4)cc3F)C2)cc1F ZINC000822778435 607478439 /nfs/dbraw/zinc/47/84/39/607478439.db2.gz IAGOBNJIVFJFRM-LBPRGKRZSA-N 1 0 388.397 2.900 20 0 GFADRO O[C@H]([C@H](Cc1ccccc1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)C(F)(F)F ZINC000823673693 607482921 /nfs/dbraw/zinc/48/29/21/607482921.db2.gz MHXXMCMPMPCZIE-JKSUJKDBSA-N 1 0 395.360 2.630 20 0 GFADRO C[NH+](C)C1CCN(c2ccc(NCc3ccc(-c4nn[nH]n4)cc3F)nc2)CC1 ZINC000821582859 607488643 /nfs/dbraw/zinc/48/86/43/607488643.db2.gz ACFLGHNJSVXOHB-UHFFFAOYSA-N 1 0 396.474 2.543 20 0 GFADRO COC(=O)[C@H](C)C[N@H+](Cc1ccccc1)Cc1ccc(OC)c(-c2nn[nH]n2)c1 ZINC000826104421 607493005 /nfs/dbraw/zinc/49/30/05/607493005.db2.gz WGGYKDDWXINJSR-OAHLLOKOSA-N 1 0 395.463 2.687 20 0 GFADRO COc1ccc(C[N@@H+]2CCCC[C@H]2[C@H](O)c2ccccc2)cc1-c1nn[nH]n1 ZINC000826194361 607519922 /nfs/dbraw/zinc/51/99/22/607519922.db2.gz KHLNFUOYFGGBAX-AZUAARDMSA-N 1 0 379.464 2.963 20 0 GFADRO Cc1cccc(N2CC[NH+](CCCC[NH2+]C[C@@H]3CCCN(C(=O)[O-])C3)CC2)c1 ZINC000740169539 603265758 /nfs/dbraw/zinc/26/57/58/603265758.db2.gz KYTPYLRCUDXUJV-FQEVSTJZSA-N 1 0 388.556 2.877 20 0 GFADRO COc1ccc(-c2nn[nH]n2)cc1C[N@@H+]1CC[C@@H](CNc2cccc(C)n2)C1 ZINC000826182232 607630628 /nfs/dbraw/zinc/63/06/28/607630628.db2.gz FAMREXOIRVPNEB-HNNXBMFYSA-N 1 0 379.468 2.513 20 0 GFADRO Cc1cc(-c2nn[nH]n2)ccc1C(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000826245268 607676301 /nfs/dbraw/zinc/67/63/01/607676301.db2.gz SLFGWIZNXHSHBC-QGZVFWFLSA-N 1 0 382.512 2.759 20 0 GFADRO Cc1cc(-c2nn[nH]n2)ccc1C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000826248321 607677282 /nfs/dbraw/zinc/67/72/82/607677282.db2.gz DLIZBNQIDIMFAG-UHFFFAOYSA-N 1 0 396.520 2.879 20 0 GFADRO Cc1cc(-c2nn[nH]n2)ccc1C(=O)Nc1ccccc1NC1CC[NH+](C)CC1 ZINC000826250681 607680925 /nfs/dbraw/zinc/68/09/25/607680925.db2.gz MOECKILAQQYERS-UHFFFAOYSA-N 1 0 391.479 2.934 20 0 GFADRO COc1cc(OC)cc([C@H](C(=O)[O-])[N@@H+]2CC[C@@H](CNc3cc(C)cc[nH+]3)C2)c1 ZINC000832040972 604465000 /nfs/dbraw/zinc/46/50/00/604465000.db2.gz MOLCXIFGQFNKAS-MGPUTAFESA-N 1 0 385.464 2.967 20 0 GFADRO CC(C)(C)OC(=O)NC1CCC([NH2+]C2CC[NH+](CCCC(=O)[O-])CC2)CC1 ZINC000833441052 605221430 /nfs/dbraw/zinc/22/14/30/605221430.db2.gz PTUNWWXFDRXSST-UHFFFAOYSA-N 1 0 383.533 2.741 20 0 GFADRO C[C@@H](C[C@@H]1CCCCCN1C(=O)[O-])[NH2+]C1CCN(C2CC[NH+](C)CC2)CC1 ZINC000824759927 605493581 /nfs/dbraw/zinc/49/35/81/605493581.db2.gz QUAHRHUJDYDJAS-PXNSSMCTSA-N 1 0 380.577 2.836 20 0 GFADRO O=C([O-])N1CCC[C@@H]([NH2+]CCCOC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000834100595 605622963 /nfs/dbraw/zinc/62/29/63/605622963.db2.gz NVBVTYLGDHBBML-LJQANCHMSA-N 1 0 375.513 2.790 20 0 GFADRO O=C([O-])NC[C@H]1CCCC[C@H]1[NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1 ZINC000834222681 605623492 /nfs/dbraw/zinc/62/34/92/605623492.db2.gz PFPZONYGLBBSBG-YLJYHZDGSA-N 1 0 375.513 2.559 20 0 GFADRO CN(c1nc2c(cc1-c1nn[nH]n1)CCC2)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000821619300 606044072 /nfs/dbraw/zinc/04/40/72/606044072.db2.gz QKHKIZAZJZNNAM-GOSISDBHSA-N 1 0 389.507 2.851 20 0 GFADRO CC[C@@H]1C[N@@H+]([C@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)CC[C@@H]1c1ccccc1 ZINC000820993974 606111636 /nfs/dbraw/zinc/11/16/36/606111636.db2.gz CZONMKJJBQPFGM-XPGWFJOJSA-N 1 0 390.491 2.909 20 0 GFADRO NC(=O)C[C@@H]1CCC[N@H+](Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)C1 ZINC000822864744 606114079 /nfs/dbraw/zinc/11/40/79/606114079.db2.gz KICAAZWXOIJWTK-INIZCTEOSA-N 1 0 376.464 2.621 20 0 GFADRO C[C@@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000820722670 606153809 /nfs/dbraw/zinc/15/38/09/606153809.db2.gz LIYMUTNVBPFNJO-MRXNPFEDSA-N 1 0 391.479 2.995 20 0 GFADRO CC(C)C[N@H+](CC(=O)Nc1ccc(O)cc1)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000820081344 606159057 /nfs/dbraw/zinc/15/90/57/606159057.db2.gz CSIIAROKUAPLNN-UHFFFAOYSA-N 1 0 380.452 2.669 20 0 GFADRO C[C@H](c1ccc([S@](C)=O)cc1)[N@H+](C)CCOc1ccc(-c2nn[nH]n2)cc1 ZINC000820563524 606159121 /nfs/dbraw/zinc/15/91/21/606159121.db2.gz RQXMWDDHJKURFH-ASHKIFAZSA-N 1 0 385.493 2.676 20 0 GFADRO C[C@H](c1ccc([S@@](C)=O)cc1)[N@H+](C)CCOc1ccc(-c2nn[nH]n2)cc1 ZINC000820563525 606159201 /nfs/dbraw/zinc/15/92/01/606159201.db2.gz RQXMWDDHJKURFH-LOKFHWFJSA-N 1 0 385.493 2.676 20 0 GFADRO COc1ccc(Cl)cc1NC(=O)CC[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC000821827697 606166315 /nfs/dbraw/zinc/16/63/15/606166315.db2.gz IQGIANLPTJXXLG-UHFFFAOYSA-N 1 0 386.843 2.647 20 0 GFADRO CC(C)(C)[C@@H]1CCCC[C@@H]1[NH2+]CCS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000819907291 606186453 /nfs/dbraw/zinc/18/64/53/606186453.db2.gz MUNYULCSRMXFIO-SJORKVTESA-N 1 0 391.541 2.835 20 0 GFADRO C[C@@H]([NH2+]Cc1cc(-c2nn[nH]n2)cs1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000820427266 606215421 /nfs/dbraw/zinc/21/54/21/606215421.db2.gz REUCCJRRKKUHQI-CYBMUJFWSA-N 1 0 397.508 2.645 20 0 GFADRO COc1ccc(Cl)cc1N1CC[C@H]([NH2+]Cc2cc(-c3nn[nH]n3)cs2)C1 ZINC000821828273 606216016 /nfs/dbraw/zinc/21/60/16/606216016.db2.gz RNLZGOQCEZGLLZ-ZDUSSCGKSA-N 1 0 390.900 2.959 20 0 GFADRO CC(C)(C)OC(=O)N(CCC[NH2+]Cc1cc(-c2nn[nH]n2)cs1)C1CC1 ZINC000819928124 606216461 /nfs/dbraw/zinc/21/64/61/606216461.db2.gz IREATDJNUGFSQE-UHFFFAOYSA-N 1 0 378.502 2.807 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccccc1-c1ccccc1-c1nn[nH]n1 ZINC000821267370 606217944 /nfs/dbraw/zinc/21/79/44/606217944.db2.gz MXVPIEJILNGBAP-OAHLLOKOSA-N 1 0 376.464 2.748 20 0 GFADRO COc1ccccc1-c1noc([C@@H](C)NCc2cc(-c3nn[nH]n3)cs2)n1 ZINC000821882990 606223647 /nfs/dbraw/zinc/22/36/47/606223647.db2.gz PGMMYASWHWQSBX-SNVBAGLBSA-N 1 0 383.437 2.838 20 0 GFADRO CC(C)CC[N@@H+]1Cc2cccc(NC(=O)c3cc(-c4nn[nH]n4)cn3C)c2C1 ZINC000820076378 606244436 /nfs/dbraw/zinc/24/44/36/606244436.db2.gz JDPNOWBERPPRDS-UHFFFAOYSA-N 1 0 379.468 2.819 20 0 GFADRO C[N@@H+]1CC[C@H](CNC(=O)c2ccc(Sc3ccccc3-c3nn[nH]n3)cc2)C1 ZINC000821622145 606260533 /nfs/dbraw/zinc/26/05/33/606260533.db2.gz UBXQVRPXAIYDBV-CQSZACIVSA-N 1 0 394.504 2.699 20 0 GFADRO CCCCC1CCC([NH2+]CCS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000821043853 606309242 /nfs/dbraw/zinc/30/92/42/606309242.db2.gz UERIZJHLGDBNNZ-UHFFFAOYSA-N 1 0 391.541 2.979 20 0 GFADRO C[C@H](c1ccccc1)[C@H](C)[NH2+][C@@H]1CCN(c2sccc2-c2nn[nH]n2)C1=O ZINC000820418535 606309241 /nfs/dbraw/zinc/30/92/41/606309241.db2.gz BFVUPDOURBFQDN-HEHGZKQESA-N 1 0 382.493 2.815 20 0 GFADRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)Nc2ccc(F)cc2-c2nn[nH]n2)C1 ZINC000820570163 606347308 /nfs/dbraw/zinc/34/73/08/606347308.db2.gz DXWIARJYIWGYAR-XJKSGUPXSA-N 1 0 395.442 2.963 20 0 GFADRO Fc1ccc2c(c1)[C@@H]([NH+]1CCN(c3cccc(F)c3-c3nn[nH]n3)CC1)CC2 ZINC000822782920 606374507 /nfs/dbraw/zinc/37/45/07/606374507.db2.gz MAKHZQHEMBAMLJ-KRWDZBQOSA-N 1 0 382.418 2.954 20 0 GFADRO O=C(NC[C@H]1CCC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1)c1ccccc1 ZINC000823175287 606379377 /nfs/dbraw/zinc/37/93/77/606379377.db2.gz DUPRXQUTDBJZNT-MRXNPFEDSA-N 1 0 376.464 2.509 20 0 GFADRO C[C@H](CCc1ccccc1)[NH2+]C1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1 ZINC000820254621 606426711 /nfs/dbraw/zinc/42/67/11/606426711.db2.gz SDKSMDYIJXKVKC-MRXNPFEDSA-N 1 0 377.496 2.841 20 0 GFADRO C[N@@H+]1CCC[C@H]1[C@@H]1CCCN1Cc1ccc(-c2nn[nH]n2)cc1OC(F)F ZINC000821625665 606488846 /nfs/dbraw/zinc/48/88/46/606488846.db2.gz TTZLSXPTRRLPEK-GJZGRUSLSA-N 1 0 378.427 2.527 20 0 GFADRO FC(F)Oc1cc(-c2nn[nH]n2)ccc1C[N@@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000822733226 606499649 /nfs/dbraw/zinc/49/96/49/606499649.db2.gz UHZGUIJGGKARMQ-CYBMUJFWSA-N 1 0 375.383 2.571 20 0 GFADRO FC(F)Oc1cc(-c2nn[nH]n2)ccc1CN1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000822731341 606502547 /nfs/dbraw/zinc/50/25/47/606502547.db2.gz CALCZVBGXODHID-AWEZNQCLSA-N 1 0 392.454 2.776 20 0 GFADRO FC(F)Oc1cc(-c2nn[nH]n2)ccc1CN1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000822731343 606502563 /nfs/dbraw/zinc/50/25/63/606502563.db2.gz CALCZVBGXODHID-CQSZACIVSA-N 1 0 392.454 2.776 20 0 GFADRO c1c(C[N@@H+](CCc2ccccc2)[C@H]2CCOC2)c(-c2nn[nH]n2)c2ccccn12 ZINC000823780096 606526155 /nfs/dbraw/zinc/52/61/55/606526155.db2.gz NZSGNZFBVOYUJY-IBGZPJMESA-N 1 0 388.475 2.953 20 0 GFADRO O=C(Cc1cccc(-c2nn[nH]n2)c1)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000823103505 606534044 /nfs/dbraw/zinc/53/40/44/606534044.db2.gz HTRQTVJTWYGUQY-UHFFFAOYSA-N 1 0 376.464 2.686 20 0 GFADRO C[C@@H]1CCN(C(=O)Cc2cccc(-c3nn[nH]n3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000820717854 606579115 /nfs/dbraw/zinc/57/91/15/606579115.db2.gz XWFFUUJCGFBWBT-QGZVFWFLSA-N 1 0 390.491 2.532 20 0 GFADRO C[C@@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)Cc1cccc(-c2nn[nH]n2)c1 ZINC000820722811 606580728 /nfs/dbraw/zinc/58/07/28/606580728.db2.gz PBJAFGAHMGZDIG-QGZVFWFLSA-N 1 0 390.491 2.532 20 0 GFADRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000820759808 606583738 /nfs/dbraw/zinc/58/37/38/606583738.db2.gz NWLOUTUCNBFKMH-BEFAXECRSA-N 1 0 376.464 2.507 20 0 GFADRO CC[C@H](C[NH2+]Cc1cnc2ccc(-c3nn[nH]n3)cn12)Oc1cccc(C)c1 ZINC000820909082 606618398 /nfs/dbraw/zinc/61/83/98/606618398.db2.gz TTYULQIUBBZQMQ-QGZVFWFLSA-N 1 0 377.452 2.770 20 0 GFADRO C[C@@H]([NH2+][C@H]1CCN(c2cccc(Cl)c2)C1=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000820418565 606624232 /nfs/dbraw/zinc/62/42/32/606624232.db2.gz BJEWTHXXUMJIRH-PXAZEXFGSA-N 1 0 382.855 2.976 20 0 GFADRO OCC1CC[NH+](Cc2cccc(NCc3ccc(-c4nn[nH]n4)s3)c2)CC1 ZINC000823715046 606657779 /nfs/dbraw/zinc/65/77/79/606657779.db2.gz QRBCWGKVTZQKAE-UHFFFAOYSA-N 1 0 384.509 2.745 20 0 GFADRO O=C(CC[N@H+]1CC[C@H](c2ccc(F)cc2)C1)Nc1sccc1-c1nn[nH]n1 ZINC000822964659 606715173 /nfs/dbraw/zinc/71/51/73/606715173.db2.gz NFPAATZOWRGWSP-ZDUSSCGKSA-N 1 0 386.456 2.885 20 0 GFADRO C[C@H](c1ccccc1)N1CC[C@@H]([NH2+]CCOc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000820571036 606722811 /nfs/dbraw/zinc/72/28/11/606722811.db2.gz UWIBTVRQWIOKQV-VQIMIIECSA-N 1 0 378.480 2.671 20 0 GFADRO CC1(C)C[C@H]([NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)c2ccccc2O1 ZINC000820590514 606741820 /nfs/dbraw/zinc/74/18/20/606741820.db2.gz VKJIDGGSPABJDT-INIZCTEOSA-N 1 0 375.436 2.906 20 0 GFADRO CCC(CC)(CC(=O)OC)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1OC(F)F ZINC000820882545 606750000 /nfs/dbraw/zinc/75/00/00/606750000.db2.gz SVABNFMLRLKNQX-UHFFFAOYSA-N 1 0 383.399 2.680 20 0 GFADRO Cc1cc(F)cc2c1ncc(-c1nn[nH]n1)c2NC[C@H]1CC[N@@H+](CC(C)C)C1 ZINC000822204743 606809501 /nfs/dbraw/zinc/80/95/01/606809501.db2.gz ZHPRDZTWAHOALW-CQSZACIVSA-N 1 0 383.475 2.674 20 0 GFADRO CC[C@H]1CCC[C@@H]1NC(=O)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000820972888 606811484 /nfs/dbraw/zinc/81/14/84/606811484.db2.gz RNDNZPFHIBFDOU-HKUYNNGSSA-N 1 0 397.527 2.663 20 0 GFADRO C[N@@H+](Cc1ccc(Br)s1)C[C@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821609828 606848957 /nfs/dbraw/zinc/84/89/57/606848957.db2.gz NRPUSQNTJZVHEV-ZDUSSCGKSA-N 1 0 394.298 2.856 20 0 GFADRO COc1ccc([C@@H]2CCC[N@@H+]2C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)c(OC)c1 ZINC000821786423 606850620 /nfs/dbraw/zinc/85/06/20/606850620.db2.gz DHWVPKXULXZDQM-OALUTQOASA-N 1 0 395.463 2.754 20 0 GFADRO C[C@@H]([NH2+]C[C@H](O)c1ccc(-c2nn[nH]n2)cc1)c1cccc(OC(F)F)c1 ZINC000820419569 606853237 /nfs/dbraw/zinc/85/32/37/606853237.db2.gz IFBXIJJLSZCIHT-BZNIZROVSA-N 1 0 375.379 2.852 20 0 GFADRO Cc1cc(Oc2ncccc2-c2nn[nH]n2)ccc1NC(=O)[C@H](C(C)C)[NH+](C)C ZINC000737281403 606856441 /nfs/dbraw/zinc/85/64/41/606856441.db2.gz XOPWFPAFQUOBLT-KRWDZBQOSA-N 1 0 395.467 2.887 20 0 GFADRO C[C@@H]1C[C@@H](NC(=S)Nc2ccccc2-c2nn[nH]n2)C[N@@H+]1Cc1ccccc1 ZINC000820656220 606860240 /nfs/dbraw/zinc/86/02/40/606860240.db2.gz FBNCLFKKVKFAFO-GDBMZVCRSA-N 1 0 393.520 2.816 20 0 GFADRO C[C@H]1C[C@H](NC(=O)Nc2cccc(-c3nn[nH]n3)c2)C[N@@H+]1Cc1ccccc1 ZINC000820657900 606871009 /nfs/dbraw/zinc/87/10/09/606871009.db2.gz NCUCMOYICNECIC-KSSFIOAISA-N 1 0 377.452 2.651 20 0 GFADRO O[C@H](C[C@H]1CCC[N@@H+]1C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1)c1cccs1 ZINC000823682831 606910430 /nfs/dbraw/zinc/91/04/30/606910430.db2.gz VIDPJBSTGWLMNB-BRWVUGGUSA-N 1 0 385.493 2.550 20 0 GFADRO CCc1nnc(NC2CC[NH+](C3CCCCC3)CC2)c(-c2nn[nH]n2)c1CC ZINC000821527456 606941897 /nfs/dbraw/zinc/94/18/97/606941897.db2.gz FOOCKFPUGKTTRE-UHFFFAOYSA-N 1 0 384.532 2.991 20 0 GFADRO CC[C@H](C(=O)Nc1ccc(Oc2ncccc2-c2nn[nH]n2)cc1C)[NH+](C)C ZINC000820842992 606969044 /nfs/dbraw/zinc/96/90/44/606969044.db2.gz RSSJYQOEEPNVBG-MRXNPFEDSA-N 1 0 381.440 2.641 20 0 GFADRO CCN(C[C@@H]1CC[N@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C1)CC(F)(F)F ZINC000821198856 606978402 /nfs/dbraw/zinc/97/84/02/606978402.db2.gz WYHFPGNQPHPYIZ-ZDUSSCGKSA-N 1 0 386.397 2.712 20 0 GFADRO O=C(NC[C@@H]1CCC[N@@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C1)c1ccccc1 ZINC000823175825 606979520 /nfs/dbraw/zinc/97/95/20/606979520.db2.gz NBVQGEUGGNNWBW-INIZCTEOSA-N 1 0 394.454 2.648 20 0 GFADRO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000820386181 606983209 /nfs/dbraw/zinc/98/32/09/606983209.db2.gz XNOGTGTYHLCTSO-RHSMWYFYSA-N 1 0 386.500 2.992 20 0 GFADRO O[C@@H](C[C@H]1CCC[N@@H+]1Cc1cn2ccccc2c1-c1nn[nH]n1)c1ccco1 ZINC000823673161 606986344 /nfs/dbraw/zinc/98/63/44/606986344.db2.gz JNCOFRQKZRUXLX-WBVHZDCISA-N 1 0 378.436 2.801 20 0 GFADRO C[C@H]([NH2+][C@@H](C)c1cccc(NS(C)(=O)=O)c1)c1ccc(-c2nn[nH]n2)cc1 ZINC000820413674 607015393 /nfs/dbraw/zinc/01/53/93/607015393.db2.gz TWWIRWGEISEUEM-STQMWFEESA-N 1 0 386.481 2.650 20 0 GFADRO Cc1cc(F)cc2c1ncc(-c1nn[nH]n1)c2N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000822204063 607030936 /nfs/dbraw/zinc/03/09/36/607030936.db2.gz BXUCJQGGFDMVGB-GUYCJALGSA-N 1 0 381.459 2.783 20 0 GFADRO Cc1cccc2c1CC[C@@H]2[NH2+]C1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1 ZINC000822340621 607047251 /nfs/dbraw/zinc/04/72/51/607047251.db2.gz AEARQCVJDJPJKL-IBGZPJMESA-N 1 0 375.480 2.816 20 0 GFADRO CC(C)(Oc1ccc(-c2nn[nH]n2)cc1)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000819996911 607053900 /nfs/dbraw/zinc/05/39/00/607053900.db2.gz NPILTINKZVLIJW-UHFFFAOYSA-N 1 0 398.511 2.547 20 0 GFADRO C[C@@H]([NH2+][C@@H](CN1CCCC1=O)c1ccccc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000820413720 607208635 /nfs/dbraw/zinc/20/86/35/607208635.db2.gz UVOHUDKAJCKZEW-BEFAXECRSA-N 1 0 376.464 2.881 20 0 GFADRO Cc1ccc(NC(=O)N(CC[NH+](C)C)Cc2ccc(-c3nn[nH]n3)cc2)cc1F ZINC000826290867 607780353 /nfs/dbraw/zinc/78/03/53/607780353.db2.gz DILIYHUJQJGRMT-UHFFFAOYSA-N 1 0 397.458 2.910 20 0 GFADRO O=C(NCCC1=CCCC1)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826436249 607794452 /nfs/dbraw/zinc/79/44/52/607794452.db2.gz NKMRYSWNWKGBEJ-UHFFFAOYSA-N 1 0 395.511 2.584 20 0 GFADRO C[C@H]1C[C@H](CCNC(=O)c2ccc(-c3nn[nH]n3)s2)C[N@@H+]1Cc1ccccc1 ZINC000824886279 607795666 /nfs/dbraw/zinc/79/56/66/607795666.db2.gz WRVPFXLQLYFGII-HOCLYGCPSA-N 1 0 396.520 2.959 20 0 GFADRO O[C@H]1CC[C@H]([NH2+]Cc2cccc(OCc3ccccc3-c3nn[nH]n3)c2)CC1 ZINC000826510794 607813231 /nfs/dbraw/zinc/81/32/31/607813231.db2.gz KUFOMNNUFGPURX-IYARVYRRSA-N 1 0 379.464 2.839 20 0 GFADRO CCC1(CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC[NH+](Cc2ccccc2)CC1 ZINC000825170607 607823345 /nfs/dbraw/zinc/82/33/45/607823345.db2.gz DIOQRKPHSZIJGJ-UHFFFAOYSA-N 1 0 393.495 2.617 20 0 GFADRO O[C@@H]1C[C@@H](c2ccc(C(F)(F)F)cc2)[N@H+](Cc2ccnc(-c3nn[nH]n3)c2)C1 ZINC000826505646 607830971 /nfs/dbraw/zinc/83/09/71/607830971.db2.gz BDIXURBUOFXGQH-ZBFHGGJFSA-N 1 0 390.369 2.588 20 0 GFADRO CC[C@@H]([NH2+]Cc1ccc(-c2nn[nH]n2)s1)[C@H](c1ccc(C)cc1)n1cncn1 ZINC000825140639 607911446 /nfs/dbraw/zinc/91/14/46/607911446.db2.gz LLYIFQGLYMHFIK-AEFFLSMTSA-N 1 0 394.508 2.986 20 0 GFADRO CC[C@H]([NH2+]Cc1ccc(-c2nn[nH]n2)s1)[C@H](c1ccc(C)cc1)n1cncn1 ZINC000825140644 607911510 /nfs/dbraw/zinc/91/15/10/607911510.db2.gz LLYIFQGLYMHFIK-WMZOPIPTSA-N 1 0 394.508 2.986 20 0 GFADRO C[C@H]1C[NH+](C)C[C@H](C)N1C(=O)c1cccc(Oc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000824974725 607913465 /nfs/dbraw/zinc/91/34/65/607913465.db2.gz DYUPHNCKCWQRHX-GJZGRUSLSA-N 1 0 392.463 2.824 20 0 GFADRO CCS[C@H]1CC[C@H]([N@H+](C)Cc2cccc(C(=O)OC)c2-c2nn[nH]n2)C1 ZINC000825669459 607923718 /nfs/dbraw/zinc/92/37/18/607923718.db2.gz YGKGRAYURPJANN-KBPBESRZSA-N 1 0 375.498 2.759 20 0 GFADRO C[N@H+]1Cc2ccccc2[C@@H](Nc2nc(C(F)(F)F)ccc2-c2nn[nH]n2)C1 ZINC000826050701 607936634 /nfs/dbraw/zinc/93/66/34/607936634.db2.gz BHNKMEKEKHEHCY-ZDUSSCGKSA-N 1 0 375.358 2.879 20 0 GFADRO C[NH+](C)Cc1c2ccccc2oc1C(=O)Nc1cc(-c2nn[nH]n2)ccc1O ZINC000825870718 607997994 /nfs/dbraw/zinc/99/79/94/607997994.db2.gz ZUOXFUHMEKVIKJ-UHFFFAOYSA-N 1 0 378.392 2.632 20 0 GFADRO CC[C@@H](C)c1ccc(C(=O)Nc2n[nH]c(CCC[NH2+]C)c2-c2nn[nH]n2)cc1 ZINC000825073662 608021979 /nfs/dbraw/zinc/02/19/79/608021979.db2.gz AFQJXGKQYMDESD-GFCCVEGCSA-N 1 0 382.472 2.508 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCCN(c2ccccc2F)C1=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000824545486 608047140 /nfs/dbraw/zinc/04/71/40/608047140.db2.gz CRJMKDHHIHZTMX-SUMWQHHRSA-N 1 0 380.427 2.852 20 0 GFADRO CC[N@H+](Cc1ccccc1C)[C@@H]1CCN(c2sccc2-c2nn[nH]n2)C1=O ZINC000825439659 608122298 /nfs/dbraw/zinc/12/22/98/608122298.db2.gz JKVYBJNZCQACCQ-MRXNPFEDSA-N 1 0 382.493 2.864 20 0 GFADRO Cc1ccc([C@H]2CC[N@@H+]([C@@H]3CCN(c4sccc4-c4nn[nH]n4)C3=O)C2)cc1 ZINC000826285800 608126767 /nfs/dbraw/zinc/12/67/67/608126767.db2.gz KGEPRIZRIDEHHZ-DOTOQJQBSA-N 1 0 394.504 2.831 20 0 GFADRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)c1cc(-c2nn[nH]n2)cs1 ZINC000825918897 608163605 /nfs/dbraw/zinc/16/36/05/608163605.db2.gz NZASVOUWZOTLGE-UHFFFAOYSA-N 1 0 397.508 2.702 20 0 GFADRO C[NH+](C)CCN(CCCc1ccccc1)c1snc(Cl)c1-c1nn[nH]n1 ZINC000825865822 608188680 /nfs/dbraw/zinc/18/86/80/608188680.db2.gz MNVXAILEOOYXAQ-UHFFFAOYSA-N 1 0 391.932 2.977 20 0 GFADRO CCOC(=O)C(F)(F)[C@@H]1CCC[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC000825492079 608208565 /nfs/dbraw/zinc/20/85/65/608208565.db2.gz CYJIPVPWACKTLF-CABCVRRESA-N 1 0 379.411 2.714 20 0 GFADRO O=C(CC[NH+]1CCC(Cc2cccnc2)CC1)Nc1sccc1-c1nn[nH]n1 ZINC000826407512 608209825 /nfs/dbraw/zinc/20/98/25/608209825.db2.gz PRANRKCSWZYPHX-UHFFFAOYSA-N 1 0 397.508 2.607 20 0 GFADRO CCOc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(OC)c(-c3nn[nH]n3)c1)CCO2 ZINC000825643320 608286134 /nfs/dbraw/zinc/28/61/34/608286134.db2.gz MGBQFPRDMWJQNO-KRWDZBQOSA-N 1 0 381.436 2.887 20 0 GFADRO COc1ccc(C[NH2+][C@H](C)CC(=O)Nc2ccc(C)cc2C)cc1-c1nn[nH]n1 ZINC000826201687 608286602 /nfs/dbraw/zinc/28/66/02/608286602.db2.gz BIBKLTLEBKFCHA-OAHLLOKOSA-N 1 0 394.479 2.999 20 0 GFADRO Cc1ncc([C@@H](C)[NH2+]C2CCC(Oc3ccc(-c4nn[nH]n4)cn3)CC2)c(C)n1 ZINC000826329808 608287998 /nfs/dbraw/zinc/28/79/98/608287998.db2.gz SMSYFSNVEDTRCJ-NVPAJSRCSA-N 1 0 394.483 2.709 20 0 GFADRO c1cc(-c2nn[nH]n2)cc(-c2nnc(C[N@H+]3CCC[C@@H](C[C@@H]4CCOC4)C3)o2)c1 ZINC000826512889 608326569 /nfs/dbraw/zinc/32/65/69/608326569.db2.gz SMYMRZSBLOWIHY-GJZGRUSLSA-N 1 0 395.467 2.555 20 0 GFADRO COc1cc(-c2nn[nH]n2)ccc1CN1CCC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000826169060 608365181 /nfs/dbraw/zinc/36/51/81/608365181.db2.gz HAVQXIJOMCRDGP-KRWDZBQOSA-N 1 0 392.507 2.972 20 0 GFADRO C[C@@H]1C[N@H+](Cc2cccc(-c3nn[nH]n3)c2F)CC[C@H]1NC(=O)OC(C)(C)C ZINC000824984940 608406332 /nfs/dbraw/zinc/40/63/32/608406332.db2.gz PQMNKYXFVPXSSP-IUODEOHRSA-N 1 0 390.463 2.741 20 0 GFADRO C[C@H]([NH2+]CCCOc1cccc(-c2nn[nH]n2)c1)c1ccc2c(c1)OCCO2 ZINC000824593673 608425355 /nfs/dbraw/zinc/42/53/55/608425355.db2.gz RZBXZYLGVFMVMG-AWEZNQCLSA-N 1 0 381.436 2.758 20 0 GFADRO Cc1ccc([C@@H](C)[NH2+]CCS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)c(C)c1 ZINC000826282791 608436637 /nfs/dbraw/zinc/43/66/37/608436637.db2.gz CIYXOZZVVINAIP-OAHLLOKOSA-N 1 0 385.493 2.608 20 0 GFADRO CC(C)Oc1cc(C[N@H+](C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)C2CC2)ccn1 ZINC000824319529 608452525 /nfs/dbraw/zinc/45/25/25/608452525.db2.gz SYFKQADBBHGAFH-LJQANCHMSA-N 1 0 394.479 2.747 20 0 GFADRO C[C@H]([NH2+]CC(=O)N(C)c1nc2ccccc2s1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824553457 608460571 /nfs/dbraw/zinc/46/05/71/608460571.db2.gz BQONQPRXORHWDQ-LBPRGKRZSA-N 1 0 393.476 2.790 20 0 GFADRO C[C@H]([NH2+]CC(=O)Nc1ccccc1OC(F)F)c1ccc(-c2nn[nH]n2)cc1 ZINC000824562612 608463788 /nfs/dbraw/zinc/46/37/88/608463788.db2.gz HRVUBKSNRJNROE-NSHDSACASA-N 1 0 388.378 2.757 20 0 GFADRO C[C@@H]([NH2+]Cc1ccc(F)cc1-c1nn[nH]n1)c1ccc(N2CCOC2=O)cc1 ZINC000824612999 608474360 /nfs/dbraw/zinc/47/43/60/608474360.db2.gz QSPZCZGCVHQKER-GFCCVEGCSA-N 1 0 382.399 2.813 20 0 GFADRO C[C@@H]([NH2+]CC(=O)Nc1ccc(OC(F)F)cc1)c1cccc(-c2nn[nH]n2)c1 ZINC000824563696 608489607 /nfs/dbraw/zinc/48/96/07/608489607.db2.gz POHPDYWNLYMTRL-LLVKDONJSA-N 1 0 388.378 2.757 20 0 GFADRO C[C@H]([NH2+]CCCS(=O)(=O)c1ccc(F)cc1)c1cccc(-c2nn[nH]n2)c1 ZINC000824591676 608490791 /nfs/dbraw/zinc/49/07/91/608490791.db2.gz JTQWUHGUHPYMMT-ZDUSSCGKSA-N 1 0 389.456 2.520 20 0 GFADRO C[C@@H]([NH2+]CCCOc1ccc(-c2nn[nH]n2)cc1)c1ccc2c(c1)CC(=O)N2C ZINC000824590622 608494617 /nfs/dbraw/zinc/49/46/17/608494617.db2.gz CGQAOIFORCNGCG-CQSZACIVSA-N 1 0 392.463 2.505 20 0 GFADRO CS(=O)(=O)Cc1ccc(C[NH2+][C@@H]2CCCc3cc(-c4nn[nH]n4)ccc32)cc1 ZINC000826222762 608502234 /nfs/dbraw/zinc/50/22/34/608502234.db2.gz LWIIPADUILGIIJ-LJQANCHMSA-N 1 0 397.504 2.579 20 0 GFADRO CN(C)C(=O)[C@H](Cc1ccccc1)[NH2+][C@H]1CCCc2cc(-c3nn[nH]n3)ccc21 ZINC000825833636 608510540 /nfs/dbraw/zinc/51/05/40/608510540.db2.gz JQSJCHCVEZKMPS-PMACEKPBSA-N 1 0 390.491 2.533 20 0 GFADRO Cc1ccccc1[C@@H]([NH2+]C[C@@H](O)COc1ccc(-c2nn[nH]n2)cc1)C(C)C ZINC000826306048 608519911 /nfs/dbraw/zinc/51/99/11/608519911.db2.gz OPCSNTAEIOZVNQ-XLIONFOSSA-N 1 0 381.480 2.902 20 0 GFADRO COc1cc(F)c([C@H](C)[NH2+]CCOc2ccccc2-c2nn[nH]n2)cc1OC ZINC000826179892 608526949 /nfs/dbraw/zinc/52/69/49/608526949.db2.gz JPVLDLNNJGYXPQ-LBPRGKRZSA-N 1 0 387.415 2.753 20 0 GFADRO CC[C@H]([NH2+]C[C@@H](O)COc1ccc(-c2nn[nH]n2)cc1)c1ccc(F)cc1F ZINC000825141824 608535365 /nfs/dbraw/zinc/53/53/65/608535365.db2.gz QDLDZYXOLFVZDZ-KDOFPFPSSA-N 1 0 389.406 2.626 20 0 GFADRO CC[C@H]1Oc2cc([C@@H](C)[NH2+]Cc3cc(-c4nn[nH]n4)ccc3F)ccc2NC1=O ZINC000825219108 608538272 /nfs/dbraw/zinc/53/82/72/608538272.db2.gz HNCPXADBBVEEAU-PIGZYNQJSA-N 1 0 396.426 2.966 20 0 GFADRO CN1C(=O)C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)[C@H]1c1ccc(Cl)cc1 ZINC000826010227 608568979 /nfs/dbraw/zinc/56/89/79/608568979.db2.gz FAEWDICKEIANDO-FUHWJXTLSA-N 1 0 382.855 2.582 20 0 GFADRO CN1C(=O)C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)[C@@H]1c1ccc(Cl)cc1 ZINC000826011132 608569005 /nfs/dbraw/zinc/56/90/05/608569005.db2.gz YOGLUHYVBLFCII-CJNGLKHVSA-N 1 0 388.884 2.643 20 0 GFADRO C[C@@H]1CCc2c(F)cccc2[C@@H]1[NH2+]C[C@@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000824966816 608577668 /nfs/dbraw/zinc/57/76/68/608577668.db2.gz DYGLWEGIDHXNNL-WAWZGNHOSA-N 1 0 397.454 2.659 20 0 GFADRO C[C@@H]([NH2+]CCCOc1ccc(-c2nn[nH]n2)cc1)c1ccc([S@@](C)=O)cc1 ZINC000824592378 608579297 /nfs/dbraw/zinc/57/92/97/608579297.db2.gz MRARBXBWDJMJJY-LOKFHWFJSA-N 1 0 385.493 2.724 20 0 GFADRO CCC[C@H](C[NH+]1CCN(c2cc(-c3nn[nH]n3)ccn2)CC1)c1ccccc1 ZINC000825241892 608580688 /nfs/dbraw/zinc/58/06/88/608580688.db2.gz CMONURFQFGETLZ-LJQANCHMSA-N 1 0 377.496 2.968 20 0 GFADRO c1ccc2c(c1)C=C(C[N@@H+]1CCCN(c3ccccc3-c3nn[nH]n3)CC1)CO2 ZINC000823867979 608583808 /nfs/dbraw/zinc/58/38/08/608583808.db2.gz LTNUGEJCPFXRBD-UHFFFAOYSA-N 1 0 388.475 2.855 20 0 GFADRO C[C@@H]1CN(C(=O)c2cccc(Nc3ccc(-c4nn[nH]n4)cc3)c2)[C@@H](C)C[N@@H+]1C ZINC000824978761 608594896 /nfs/dbraw/zinc/59/48/96/608594896.db2.gz XBMQHDMHGHSHNI-CABCVRRESA-N 1 0 391.479 2.775 20 0 GFADRO Fc1cccc(N2CC[NH+](C[C@@H]3C[C@@H]3c3ccccc3)CC2)c1-c1nn[nH]n1 ZINC000826377625 608596185 /nfs/dbraw/zinc/59/61/85/608596185.db2.gz ZIYHRSGGGIYORL-DLBZAZTESA-N 1 0 378.455 2.932 20 0 GFADRO Fc1cc(-c2nn[nH]n2)ccc1N1CC[NH+](C[C@H]2C[C@@H]2c2ccccc2)CC1 ZINC000826372350 608640942 /nfs/dbraw/zinc/64/09/42/608640942.db2.gz SHIQYCQQVKLZNC-QZTJIDSGSA-N 1 0 378.455 2.932 20 0 GFADRO O[C@H](c1ccccc1)[C@H]1CCCC[N@@H+]1Cc1cnc2ccc(-c3nn[nH]n3)cn12 ZINC000826505375 608660989 /nfs/dbraw/zinc/66/09/89/608660989.db2.gz UFTDLFWGSHTVIW-UYAOXDASSA-N 1 0 389.463 2.603 20 0 GFADRO c1nc2ccc(-c3nn[nH]n3)cn2c1CN1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000826518822 608680077 /nfs/dbraw/zinc/68/00/77/608680077.db2.gz YVVHJNYMOPHTRD-QGZVFWFLSA-N 1 0 394.527 2.602 20 0 GFADRO C[C@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)NC(=O)OC(C)(C)C ZINC000824393303 608755886 /nfs/dbraw/zinc/75/58/86/608755886.db2.gz RPUGFXMXAILBJS-NWDGAFQWSA-N 1 0 378.452 2.787 20 0 GFADRO c1ccc(C[NH+]2CCC(OCCCNc3cnccc3-c3nn[nH]n3)CC2)cc1 ZINC000826521192 608790249 /nfs/dbraw/zinc/79/02/49/608790249.db2.gz DDKPPDMPWOKLTC-UHFFFAOYSA-N 1 0 393.495 2.745 20 0 GFADRO COc1cc(OC)cc(OCCC[N@H+](C)Cc2ccc(-c3nn[nH]n3)s2)c1 ZINC000826181195 608836347 /nfs/dbraw/zinc/83/63/47/608836347.db2.gz PDHFPJAZBLSFBH-UHFFFAOYSA-N 1 0 389.481 2.846 20 0 GFADRO c1ccc2c(c1)OCC[C@H]2C[N@@H+]1CCO[C@H](c2cccc(-c3nn[nH]n3)c2)C1 ZINC000826513690 608852194 /nfs/dbraw/zinc/85/21/94/608852194.db2.gz SUJIDFKLTIBMDX-PXNSSMCTSA-N 1 0 377.448 2.806 20 0 GFADRO C[C@H]([NH2+][C@H]1CCCN(c2ccccc2)C1=O)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824547408 609142213 /nfs/dbraw/zinc/14/22/13/609142213.db2.gz NXMMDJYDVQFVRA-UGSOOPFHSA-N 1 0 380.427 2.852 20 0 GFADRO CC[C@@H]1CN(C(=O)C2CC2)CC[C@@H]1[NH2+][C@H](C)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000825205441 609148607 /nfs/dbraw/zinc/14/86/07/609148607.db2.gz WBGOBKFXAMQEJE-VFVRVIDISA-N 1 0 386.475 2.694 20 0 GFADRO C[C@@H]([NH2+]CCCNC(=O)c1cccc(F)c1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824593216 609150666 /nfs/dbraw/zinc/15/06/66/609150666.db2.gz PMQMSVCARDGUBS-GFCCVEGCSA-N 1 0 386.406 2.616 20 0 GFADRO C[C@@H](CCc1ccco1)[NH2+][C@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000824412569 609168358 /nfs/dbraw/zinc/16/83/58/609168358.db2.gz BAVKFQTXJOXXPP-KSSFIOAISA-N 1 0 380.452 2.566 20 0 GFADRO C[C@@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)cn1)c1cccc(-c2nn[nH]n2)c1 ZINC000824655028 609251508 /nfs/dbraw/zinc/25/15/08/609251508.db2.gz AUWYTVVIZDXCIC-KDOFPFPSSA-N 1 0 378.484 2.575 20 0 GFADRO c1nn(CC2CC2)cc1NC1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826514588 609254022 /nfs/dbraw/zinc/25/40/22/609254022.db2.gz WGRWNQDBPQSICX-UHFFFAOYSA-N 1 0 378.484 2.550 20 0 GFADRO NC(=O)[C@@H]([NH2+][C@H]1CC=C(c2ccc(F)cc2)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000826389341 609314794 /nfs/dbraw/zinc/31/47/94/609314794.db2.gz VWNONPJSIJMMTI-OALUTQOASA-N 1 0 392.438 2.758 20 0 GFADRO C[C@@H]([NH2+]Cc1ccc(CN2CCOCC2)cc1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824612611 609323593 /nfs/dbraw/zinc/32/35/93/609323593.db2.gz NTGRNEYETNSESX-OAHLLOKOSA-N 1 0 396.470 2.689 20 0 GFADRO C[C@H]([NH2+]Cc1ccc(CN2CCOCC2)cc1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824612608 609323615 /nfs/dbraw/zinc/32/36/15/609323615.db2.gz NTGRNEYETNSESX-HNNXBMFYSA-N 1 0 396.470 2.689 20 0 GFADRO C[C@@H]([NH2+][C@@H](CN1CCOCC1)c1ccccc1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824531891 609324211 /nfs/dbraw/zinc/32/42/11/609324211.db2.gz RFWXEVRNEWDBET-QRWLVFNGSA-N 1 0 396.470 2.730 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1CCCNCc1cn(C)nc1-c1ccc(-c2nn[nH]n2)cc1 ZINC000824936933 609335647 /nfs/dbraw/zinc/33/56/47/609335647.db2.gz NKNNUNAPTXMAAL-MRXNPFEDSA-N 1 0 394.527 2.621 20 0 GFADRO Cn1cc(C[NH2+]CCC[C@H]2CCCC[C@@H]2O)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826361933 609343418 /nfs/dbraw/zinc/34/34/18/609343418.db2.gz WQRWIKLVMLIMDT-BEFAXECRSA-N 1 0 395.511 2.688 20 0 GFADRO C[C@H]([NH2+]C[C@@H](NC(=O)OC(C)(C)C)C1CC1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824570260 609345418 /nfs/dbraw/zinc/34/54/18/609345418.db2.gz MORLDWFETDZTRE-MEDUHNTESA-N 1 0 390.463 2.960 20 0 GFADRO Cc1ccc(-c2nn[nH]n2)cc1NC(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000826277848 609354660 /nfs/dbraw/zinc/35/46/60/609354660.db2.gz JPHYJUDODXUIKD-GDBMZVCRSA-N 1 0 383.500 2.950 20 0 GFADRO CC[NH+](CC)[C@H]1CCN(Cc2ccc(-c3nn[nH]n3)cc2Br)C1 ZINC000825412908 609361596 /nfs/dbraw/zinc/36/15/96/609361596.db2.gz WISNYGYYSHORBP-AWEZNQCLSA-N 1 0 379.306 2.545 20 0 GFADRO COCC1(C)CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2Br)CC1 ZINC000826152586 609368776 /nfs/dbraw/zinc/36/87/76/609368776.db2.gz GHRIVWQNJSILMF-UHFFFAOYSA-N 1 0 380.290 2.878 20 0 GFADRO CC[C@@H]([NH2+]Cc1ccc(-c2nn[nH]n2)cc1Br)C1CCOCC1 ZINC000825144333 609368805 /nfs/dbraw/zinc/36/88/05/609368805.db2.gz YZPYADOPCWXTSE-OAHLLOKOSA-N 1 0 380.290 2.924 20 0 GFADRO C[C@H](CNC(=O)c1ccccc1Oc1ccccc1-c1nn[nH]n1)[N@H+](C)C1CC1 ZINC000824426794 609377856 /nfs/dbraw/zinc/37/78/56/609377856.db2.gz IBVPLKZSEDXCCU-CQSZACIVSA-N 1 0 392.463 2.872 20 0 GFADRO O=C1[C@H]([NH2+]Cc2ccc(Cl)cc2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476261 609411292 /nfs/dbraw/zinc/41/12/92/609411292.db2.gz DMMCPHHFDPXNNF-QGZVFWFLSA-N 1 0 382.855 2.805 20 0 GFADRO CCc1ccc(C[NH2+][C@@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)s1 ZINC000825711891 609412795 /nfs/dbraw/zinc/41/27/95/609412795.db2.gz IJAKODILWODNHK-QGZVFWFLSA-N 1 0 382.493 2.776 20 0 GFADRO CCc1ccc(C[NH2+][C@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)s1 ZINC000825711889 609412981 /nfs/dbraw/zinc/41/29/81/609412981.db2.gz IJAKODILWODNHK-KRWDZBQOSA-N 1 0 382.493 2.776 20 0 GFADRO O=C1[C@H]([NH2+][C@@H]2CCc3ccccc3C2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476299 609413708 /nfs/dbraw/zinc/41/37/08/609413708.db2.gz FARAUPGHTUBHBS-UYAOXDASSA-N 1 0 388.475 2.509 20 0 GFADRO C[C@H](C[NH2+][C@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O)c1ccc(F)cc1 ZINC000824427470 609414022 /nfs/dbraw/zinc/41/40/22/609414022.db2.gz NOQXJWPOKRYQJO-KUHUBIRLSA-N 1 0 394.454 2.895 20 0 GFADRO O=C1[C@H]([NH2+]Cc2coc3ccccc23)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476827 609415897 /nfs/dbraw/zinc/41/58/97/609415897.db2.gz PZELARKSQWXGBP-GOSISDBHSA-N 1 0 388.431 2.898 20 0 GFADRO C[C@@H]1CC[C@@]2(CC[N@@H+]([C@@H]3CCCN(c4ccc(-c5nn[nH]n5)cc4)C3=O)C2)C1 ZINC000824919186 609433755 /nfs/dbraw/zinc/43/37/55/609433755.db2.gz SPPJIVQKYZVOTB-FQELHTAISA-N 1 0 380.496 2.874 20 0 GFADRO COc1cccc([C@H](CNc2ncc(Cl)c(C)c2-c2nn[nH]n2)[NH+](C)C)c1 ZINC000826214498 609520164 /nfs/dbraw/zinc/52/01/64/609520164.db2.gz NNPYYIWAUJNFFQ-HNNXBMFYSA-N 1 0 387.875 2.947 20 0 GFADRO c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H](Nc4ccc(-c5nn[nH]n5)cn4)[C@@H]3C2)cc1 ZINC000826521609 609595151 /nfs/dbraw/zinc/59/51/51/609595151.db2.gz SBANAEKWTRJPKA-IPMKNSEASA-N 1 0 375.480 2.974 20 0 GFADRO Cc1ccc(O[C@@H](C)C(=O)Nc2ccn(CC[NH+](C)C)n2)c(Br)c1 ZINC000523656250 650637003 /nfs/dbraw/zinc/63/70/03/650637003.db2.gz ZNMXFDPCKGHBCJ-ZDUSSCGKSA-N 1 0 395.301 2.922 20 0 GFADRO COC(=O)/C=C1/SCC(=O)N1CCC[N@@H+]1CCC[C@H](CC(F)(F)F)C1 ZINC000817281638 660188868 /nfs/dbraw/zinc/18/88/68/660188868.db2.gz NNEFWGDKXOCSPT-ZBQKXELDSA-N 1 0 380.432 2.631 20 0 GFADRO O=C(Nc1cc2ccc(Br)cn2n1)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000482170475 650661407 /nfs/dbraw/zinc/66/14/07/650661407.db2.gz QUIOFFBSFWSHQD-KBPBESRZSA-N 1 0 378.274 2.845 20 0 GFADRO COC1([C@@H](C)[NH2+]C[C@@H](O)c2ccc(F)c(Br)c2)CCOCC1 ZINC000817296416 660189538 /nfs/dbraw/zinc/18/95/38/660189538.db2.gz ICCCXEKVXMXXQT-IAQYHMDHSA-N 1 0 376.266 2.795 20 0 GFADRO O=C1N[C@@]2(CC[N@H+](Cc3ccccc3)C2)C(=O)N1CC[C@H]1CC1(Cl)Cl ZINC000818082557 660215805 /nfs/dbraw/zinc/21/58/05/660215805.db2.gz NDZJLSKPTWWAOO-WMLDXEAASA-N 1 0 382.291 2.767 20 0 GFADRO [NH3+]C[C@@H](NC(=O)c1cn(-c2ccccc2Br)nn1)C1CCCCC1 ZINC000818555946 660228580 /nfs/dbraw/zinc/22/85/80/660228580.db2.gz CIYWMGYSUATNDP-CQSZACIVSA-N 1 0 392.301 2.667 20 0 GFADRO CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)NC(C)(C)CCC[NH3+])c1 ZINC000818601348 660229716 /nfs/dbraw/zinc/22/97/16/660229716.db2.gz WWGSINCYTPWNCL-UHFFFAOYSA-N 1 0 389.949 2.618 20 0 GFADRO CC[C@@H](C)NC(=O)CC[NH2+]C[C@@](C)(O)c1ccc(Br)cc1F ZINC000818966053 660238823 /nfs/dbraw/zinc/23/88/23/660238823.db2.gz YLKADVZPAJAYQP-BDJLRTHQSA-N 1 0 375.282 2.690 20 0 GFADRO CN(C)S(=O)(=O)c1ccccc1C[NH2+]C[C@H](O)c1ccc(F)cc1Cl ZINC000818945672 660236271 /nfs/dbraw/zinc/23/62/71/660236271.db2.gz NUAPJLAFEWJWAU-INIZCTEOSA-N 1 0 386.876 2.553 20 0 GFADRO O=S(=O)(NCC[NH2+]C[C@@H](O)c1ccc(Cl)cc1Cl)c1ccccc1 ZINC000818947946 660236793 /nfs/dbraw/zinc/23/67/93/660236793.db2.gz LNNFKCKLBDYMAP-MRXNPFEDSA-N 1 0 389.304 2.595 20 0 GFADRO O=C(c1ccoc1)N1CCC([NH2+]C[C@H](O)c2ccc(Br)cc2)CC1 ZINC000818948628 660237135 /nfs/dbraw/zinc/23/71/35/660237135.db2.gz ULGZXSCJDUGYQP-KRWDZBQOSA-N 1 0 393.281 2.970 20 0 GFADRO COCCOc1ccc(C[NH2+]C[C@H](O)c2cccc(Br)c2)cn1 ZINC000818960832 660238376 /nfs/dbraw/zinc/23/83/76/660238376.db2.gz LBYNAYLIVRNASJ-INIZCTEOSA-N 1 0 381.270 2.693 20 0 GFADRO COc1c(C)cnc(C[NH2+]C[C@@H](O)COc2ccc(Br)cc2)c1C ZINC000818986831 660241520 /nfs/dbraw/zinc/24/15/20/660241520.db2.gz BBRHCTKPOBTGER-OAHLLOKOSA-N 1 0 395.297 2.999 20 0 GFADRO CS(=O)(=O)Cc1cccc(C[NH2+]C[C@@H](O)c2ccc(Br)cc2)c1 ZINC000818989999 660241884 /nfs/dbraw/zinc/24/18/84/660241884.db2.gz FCQLWCPABVJERL-QGZVFWFLSA-N 1 0 398.322 2.817 20 0 GFADRO COC(=O)N1CCC[C@@H]([NH2+]CCC(=O)Nc2cccc(Br)c2)C1 ZINC000819004086 660243157 /nfs/dbraw/zinc/24/31/57/660243157.db2.gz VEITULIMCLHTMW-CQSZACIVSA-N 1 0 384.274 2.598 20 0 GFADRO C[C@@](O)(C[NH2+]C1CCC(C(N)=O)CC1)c1ccc(Br)cc1Cl ZINC000819015832 660243502 /nfs/dbraw/zinc/24/35/02/660243502.db2.gz BEMSAYINLPRPSS-GURQAQJRSA-N 1 0 389.721 2.944 20 0 GFADRO O[C@H](C[NH2+]CC1(N2CCCC2)CCOCC1)c1ccc(Br)cc1 ZINC000819021035 660243774 /nfs/dbraw/zinc/24/37/74/660243774.db2.gz NLTNDSQAGQYEQY-QGZVFWFLSA-N 1 0 383.330 2.717 20 0 GFADRO O=C1[C@H]([NH2+]C[C@H](O)c2ccccc2Br)CCN1c1ccccc1 ZINC000819046441 660244526 /nfs/dbraw/zinc/24/45/26/660244526.db2.gz OSPXQPIJBLVSQI-SJORKVTESA-N 1 0 375.266 2.878 20 0 GFADRO O[C@@H](C[NH2+]C1CCN(C[C@@H]2CCCO2)CC1)c1ccc(Br)cc1 ZINC000819062307 660245039 /nfs/dbraw/zinc/24/50/39/660245039.db2.gz PPWYETNSQFVASD-ROUUACIJSA-N 1 0 383.330 2.716 20 0 GFADRO C[C@H](OC[C@@H](O)C[NH2+]CCS(=O)(=O)C(C)(C)C)c1ccc(Cl)cc1 ZINC000819060335 660245050 /nfs/dbraw/zinc/24/50/50/660245050.db2.gz IBCDYYMJCNRVFY-BBRMVZONSA-N 1 0 377.934 2.581 20 0 GFADRO O=C1OCCN1CCC[NH2+]Cc1cc(OC(F)F)ccc1Br ZINC000842674774 661348273 /nfs/dbraw/zinc/34/82/73/661348273.db2.gz CMCMJAGPPDCASQ-UHFFFAOYSA-N 1 0 379.201 2.982 20 0 GFADRO COCCCN(C)CC[NH2+]C[C@@](C)(O)c1ccc(Br)cc1Cl ZINC000819105578 660246720 /nfs/dbraw/zinc/24/67/20/660246720.db2.gz MSVQQBUUHBPEHJ-MRXNPFEDSA-N 1 0 393.753 2.868 20 0 GFADRO CN(C)[C@@]1(C[NH2+]C[C@H](O)c2ccc(F)c(Br)c2)CCSC1 ZINC000819129915 660247592 /nfs/dbraw/zinc/24/75/92/660247592.db2.gz DDSWXWAKPSZVNQ-LSDHHAIUSA-N 1 0 377.323 2.649 20 0 GFADRO CS(=O)(=O)c1ccc([C@@H](O)C[NH2+]C[C@H]2SCCc3ccccc32)cc1 ZINC000819132736 660247616 /nfs/dbraw/zinc/24/76/16/660247616.db2.gz HUZCZFOOUXUTLL-RBUKOAKNSA-N 1 0 377.531 2.744 20 0 GFADRO O=S1(=O)CCc2cc(C[NH2+]C[C@H](O)c3ccc(Br)cc3)ccc21 ZINC000819152018 660248164 /nfs/dbraw/zinc/24/81/64/660248164.db2.gz KEGFKXZQOAPFLB-INIZCTEOSA-N 1 0 396.306 2.602 20 0 GFADRO CC(C)(C)OC(=O)NC[C@@](C)(O)C[NH2+]CCOc1ncc(Cl)cc1Cl ZINC000819161545 660248353 /nfs/dbraw/zinc/24/83/53/660248353.db2.gz HKXLRTGDRVEJHN-INIZCTEOSA-N 1 0 394.299 2.633 20 0 GFADRO Cc1cc(S(=O)(=O)NCC[NH2+]C[C@H](O)c2ccccc2Cl)c(C)s1 ZINC000819180618 660249002 /nfs/dbraw/zinc/24/90/02/660249002.db2.gz UMEJMBAAPHNBSU-HNNXBMFYSA-N 1 0 388.942 2.620 20 0 GFADRO CCO[C@@H]1C[C@H]([NH2+]C[C@@H](O)c2ccc(F)c(Br)c2)[C@]12CCCO2 ZINC000819229878 660251218 /nfs/dbraw/zinc/25/12/18/660251218.db2.gz OUKJZPNVBFIKQU-YYIAUSFCSA-N 1 0 388.277 2.938 20 0 GFADRO CC(C)(C)OC(=O)NCC[C@H](O)C[NH2+]CCc1cccc(Br)c1 ZINC000819360810 660256765 /nfs/dbraw/zinc/25/67/65/660256765.db2.gz MNIONWVCTZTVMX-HNNXBMFYSA-N 1 0 387.318 2.857 20 0 GFADRO Cc1cc(N2CCC[C@H]([NH2+]C[C@@H](O)c3ccccc3Br)C2)n(C)n1 ZINC000819266907 660252952 /nfs/dbraw/zinc/25/29/52/660252952.db2.gz QBUJBZMFZKXVNG-WMLDXEAASA-N 1 0 393.329 2.783 20 0 GFADRO COC(=O)N1CCC(C[NH2+]C[C@@H](O)c2ccc(F)c(Br)c2)CC1 ZINC000819308463 660254486 /nfs/dbraw/zinc/25/44/86/660254486.db2.gz UOAOYBKERXIUNE-OAHLLOKOSA-N 1 0 389.265 2.690 20 0 GFADRO Cc1ccccc1[C@H](O)C[NH2+]CCNS(=O)(=O)c1ccc(Cl)cc1C ZINC000819307871 660254543 /nfs/dbraw/zinc/25/45/43/660254543.db2.gz AHGZXURJRPJNLO-QGZVFWFLSA-N 1 0 382.913 2.558 20 0 GFADRO Cc1cc(C[NH2+]C[C@@H](O)c2cccc(Br)c2)nc(N2CCCC2)n1 ZINC000819328639 660255138 /nfs/dbraw/zinc/25/51/38/660255138.db2.gz HLNZEAMJESOUAP-QGZVFWFLSA-N 1 0 391.313 2.971 20 0 GFADRO CS(=O)(=O)c1cccc(C[NH2+]C[C@H](O)c2ccc(Br)cc2)c1 ZINC000819347247 660255975 /nfs/dbraw/zinc/25/59/75/660255975.db2.gz GFIXXCDFXBVOAM-INIZCTEOSA-N 1 0 384.295 2.676 20 0 GFADRO CCOC(=O)c1cccc(OC[C@H](O)C[NH2+]C[C@@]2(C)CC2(Cl)Cl)c1 ZINC000819348868 660256196 /nfs/dbraw/zinc/25/61/96/660256196.db2.gz RBQFFFWDNBEGET-CZUORRHYSA-N 1 0 376.280 2.777 20 0 GFADRO Cn1nccc1[C@@H]1C[C@H]([NH2+]C[C@@H](O)c2cccc(Br)c2)CCO1 ZINC000819352243 660256344 /nfs/dbraw/zinc/25/63/44/660256344.db2.gz DATYQVQZTPZXTG-OIISXLGYSA-N 1 0 380.286 2.726 20 0 GFADRO [NH3+]C[C@H]1CCCN(S(=O)(=O)Cc2ccc(Br)cc2Cl)C1 ZINC000842696046 661349705 /nfs/dbraw/zinc/34/97/05/661349705.db2.gz KBIRNUQOBDGMHF-SNVBAGLBSA-N 1 0 381.723 2.603 20 0 GFADRO COCC(C)(C)[NH+]1CCN(C(=O)C[C@@H](O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000819635202 660265805 /nfs/dbraw/zinc/26/58/05/660265805.db2.gz CNHBJJHLAQKNGR-MRXNPFEDSA-N 1 0 389.323 2.986 20 0 GFADRO CC(C)C[C@H](NC(=O)c1cc(Cl)c(Cl)[nH]1)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000820418389 660292773 /nfs/dbraw/zinc/29/27/73/660292773.db2.gz GUCHZLVJKDQUSX-RISCZKNCSA-N 1 0 389.327 2.629 20 0 GFADRO CN1CC[NH+](CC2CN(C(=O)C/C=C\c3ccc(Br)cc3)C2)CC1 ZINC000820496389 660295513 /nfs/dbraw/zinc/29/55/13/660295513.db2.gz YIOPVOQNUJATOR-IHWYPQMZSA-N 1 0 392.341 2.558 20 0 GFADRO C[NH+]1CCC(OCC(=O)N2CCc3c(F)ccc(Br)c3C2)CC1 ZINC000820888135 660309486 /nfs/dbraw/zinc/30/94/86/660309486.db2.gz AURADZYUURRTOV-UHFFFAOYSA-N 1 0 385.277 2.584 20 0 GFADRO C[N@H+](CCn1cnc(Br)n1)Cc1ccc(Br)s1 ZINC000821348790 660322444 /nfs/dbraw/zinc/32/24/44/660322444.db2.gz RAPUYNLQQDBXGY-UHFFFAOYSA-N 1 0 380.109 2.997 20 0 GFADRO Cc1cc(I)ccc1NC(=O)NC[C@H](C)C[NH+](C)C ZINC000821507994 660328070 /nfs/dbraw/zinc/32/80/70/660328070.db2.gz KUSUFCDKJHSILK-JTQLQIEISA-N 1 0 375.254 2.919 20 0 GFADRO CC(C)(C)[NH2+]CCC(=O)NC[C@@H](CO)Cc1ccc(F)c(Br)c1 ZINC000821938874 660336888 /nfs/dbraw/zinc/33/68/88/660336888.db2.gz HUQPUPONYRYKCK-ZDUSSCGKSA-N 1 0 389.309 2.634 20 0 GFADRO C[C@H]1[NH2+]CC[C@@H]1c1nc(Cc2nc3ccc(Br)cc3c(=O)[nH]2)no1 ZINC000822918478 660358140 /nfs/dbraw/zinc/35/81/40/660358140.db2.gz BCOISMWZVNEAKC-SCZZXKLOSA-N 1 0 390.241 2.537 20 0 GFADRO C[NH+](C)CCn1cc(NC(=O)C(F)(F)c2ccccc2Br)cn1 ZINC000822935656 660358490 /nfs/dbraw/zinc/35/84/90/660358490.db2.gz XXOYJBGSVMPVJW-UHFFFAOYSA-N 1 0 387.228 2.938 20 0 GFADRO Brc1cc(Cc2noc(C[C@@H]3CC[NH2+]C3)n2)cc2c1OCCCO2 ZINC000822946398 660358638 /nfs/dbraw/zinc/35/86/38/660358638.db2.gz DHFBLHWNIFSTAO-NSHDSACASA-N 1 0 394.269 2.736 20 0 GFADRO FC(F)Oc1cc(Br)ccc1-c1noc([C@H]2C[NH2+]CCO2)n1 ZINC000822979994 660359238 /nfs/dbraw/zinc/35/92/38/660359238.db2.gz BPAGZQSGXAYTRI-SNVBAGLBSA-N 1 0 376.157 2.761 20 0 GFADRO C[C@@H](NC(=O)Cc1noc(C[C@@H]2CC[NH2+]C2)n1)c1ccc(Cl)cc1Cl ZINC000823128209 660362527 /nfs/dbraw/zinc/36/25/27/660362527.db2.gz FVVFJKVQERNXJB-MNOVXSKESA-N 1 0 383.279 2.948 20 0 GFADRO C[C@@H]1[NH2+]CC[C@@H]1c1nc(-c2n[nH]c(-c3cccc(Br)c3)n2)no1 ZINC000823186246 660364310 /nfs/dbraw/zinc/36/43/10/660364310.db2.gz YXWJBHDWEPSBFT-KWQFWETISA-N 1 0 375.230 2.750 20 0 GFADRO [NH3+]CCCCn1cc(-c2nc(Cc3cc(F)cc(Br)c3)no2)nn1 ZINC000823189906 660364357 /nfs/dbraw/zinc/36/43/57/660364357.db2.gz VIMGDCCTFPUASQ-UHFFFAOYSA-N 1 0 395.236 2.559 20 0 GFADRO C[C@H]1[NH2+]CC[C@@H]1c1nc(-c2n[nH]c(-c3cccc(Br)c3)n2)no1 ZINC000823186245 660364366 /nfs/dbraw/zinc/36/43/66/660364366.db2.gz YXWJBHDWEPSBFT-KCJUWKMLSA-N 1 0 375.230 2.750 20 0 GFADRO CC(C)(Cc1cccc(Br)c1)c1noc(C[C@H]2COCC[NH2+]2)n1 ZINC000823263607 660366601 /nfs/dbraw/zinc/36/66/01/660366601.db2.gz KRENVZUTGQASOV-AWEZNQCLSA-N 1 0 380.286 2.883 20 0 GFADRO CC[NH+](CC)[C@@H](CNC(=O)c1cc(Br)n(C)n1)c1ccccc1 ZINC000823614475 660376546 /nfs/dbraw/zinc/37/65/46/660376546.db2.gz RCJMHBMTVLCNCL-HNNXBMFYSA-N 1 0 379.302 2.996 20 0 GFADRO O=C(C[C@@H]1C(=O)Nc2ccc(Br)cc21)N[C@H]1C[C@@H]([NH+]2CCCC2)C1 ZINC000823646554 660377170 /nfs/dbraw/zinc/37/71/70/660377170.db2.gz BXFXNLLNAWMEJX-GUTXKFCHSA-N 1 0 392.297 2.618 20 0 GFADRO C[C@](O)(C(=O)N[C@H]1C[C@@H]([NH+]2CCCC2)C1)c1ccc(F)c(Br)c1 ZINC000823646802 660377415 /nfs/dbraw/zinc/37/74/15/660377415.db2.gz GPKUIDFRUVUOEO-IIYDPXPESA-N 1 0 385.277 2.539 20 0 GFADRO C[NH+]1CCC2(CC1)CN(C(=O)c1cc(Br)cnc1C1CC1)CCO2 ZINC000823672631 660377753 /nfs/dbraw/zinc/37/77/53/660377753.db2.gz CGISAHGGUJFJIK-UHFFFAOYSA-N 1 0 394.313 2.658 20 0 GFADRO C[NH+]1CCC2(CC1)CN(C(=O)c1cnc(CCC(F)(F)F)s1)CCO2 ZINC000823673824 660377759 /nfs/dbraw/zinc/37/77/59/660377759.db2.gz PRAYAIWAGSQZBD-UHFFFAOYSA-N 1 0 377.432 2.575 20 0 GFADRO CC[C@@H]1C[C@@H]([NH2+]CCOc2ccc(S(=O)(=O)C(F)(F)F)cc2)CCO1 ZINC000824032570 660384253 /nfs/dbraw/zinc/38/42/53/660384253.db2.gz UISNNWNPHYDBNI-QWHCGFSZSA-N 1 0 381.416 2.906 20 0 GFADRO Cc1cc(Br)nc(NC(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)c1 ZINC000823718922 660378672 /nfs/dbraw/zinc/37/86/72/660378672.db2.gz NJSFGWWIMYDSNR-ZDUSSCGKSA-N 1 0 385.306 2.727 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3cnnn3-c3cccc(Cl)c3Cl)C[C@@H]2C1 ZINC000823783231 660380031 /nfs/dbraw/zinc/38/00/31/660380031.db2.gz GHTZTXAZRQMOKX-NEPJUHHUSA-N 1 0 380.279 2.598 20 0 GFADRO CCn1ncc(C(=O)NC[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)c1Br ZINC000824037035 660384494 /nfs/dbraw/zinc/38/44/94/660384494.db2.gz YNXDLMSRJFKIRT-ZBFHGGJFSA-N 1 0 391.313 2.741 20 0 GFADRO CN1C(=O)CS/C1=C\C(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000824213263 660387212 /nfs/dbraw/zinc/38/72/12/660387212.db2.gz MCJAOVWGDLYNOJ-PDGQHHTCSA-N 1 0 377.535 2.860 20 0 GFADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)Nc1cc(Cl)ccc1OC(F)F ZINC000824421305 660391525 /nfs/dbraw/zinc/39/15/25/660391525.db2.gz LZYMIQFHXQPZPD-NEPJUHHUSA-N 1 0 375.803 2.926 20 0 GFADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)C(F)(F)c1ccc(Br)cc1 ZINC000824733298 660400217 /nfs/dbraw/zinc/40/02/17/660400217.db2.gz OXFMUWBFIGHJIU-UONOGXRCSA-N 1 0 389.240 2.520 20 0 GFADRO Cc1c2cc(C(=O)NC[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)[nH]c2ccc1Br ZINC000824733881 660400223 /nfs/dbraw/zinc/40/02/23/660400223.db2.gz SJBORABYPMFQHR-CHWSQXEVSA-N 1 0 392.297 2.832 20 0 GFADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1cc2cc(Br)sc2[nH]1 ZINC000824740381 660400645 /nfs/dbraw/zinc/40/06/45/660400645.db2.gz DWXFYFGLHSQRJJ-MNOVXSKESA-N 1 0 384.299 2.585 20 0 GFADRO Cc1cc(C(=O)NCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)oc1Br ZINC000824942355 660405734 /nfs/dbraw/zinc/40/57/34/660405734.db2.gz WGGHINZLRHZKEQ-OAHLLOKOSA-N 1 0 393.281 2.847 20 0 GFADRO COc1ccc(C[C@@H](CO)C[NH2+]Cc2ccc(F)nc2)cc1Br ZINC000825073678 660409551 /nfs/dbraw/zinc/40/95/51/660409551.db2.gz YFDOPIRIDXMQBF-CQSZACIVSA-N 1 0 383.261 2.933 20 0 GFADRO Cn1nccc1[C@H]1C[C@H]([NH2+]Cc2nc3ccccn3c2Br)CCO1 ZINC000825045219 660408482 /nfs/dbraw/zinc/40/84/82/660408482.db2.gz CMNQLBITUBNVOW-IUODEOHRSA-N 1 0 390.285 2.840 20 0 GFADRO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000825196532 660414518 /nfs/dbraw/zinc/41/45/18/660414518.db2.gz IERTZJYRJDNBKC-ZYHUDNBSSA-N 1 0 379.254 2.721 20 0 GFADRO Cc1ccc(-n2nc(Br)cc2C(=O)N[C@@H]2CC[C@H](C[NH3+])C2)cc1 ZINC000825196332 660414568 /nfs/dbraw/zinc/41/45/68/660414568.db2.gz DGGBJCNDHBLANV-QWHCGFSZSA-N 1 0 377.286 2.800 20 0 GFADRO Cn1ccnc1[C@@H]1C[C@H]([NH2+]Cc2nc3ccccn3c2Br)CCO1 ZINC000825325337 660420793 /nfs/dbraw/zinc/42/07/93/660420793.db2.gz BBOUUGCDSBEREB-OCCSQVGLSA-N 1 0 390.285 2.840 20 0 GFADRO Cn1ccnc1[C@H]1C[C@@H]([NH2+]Cc2nc3ccccn3c2Br)CCO1 ZINC000825325333 660420815 /nfs/dbraw/zinc/42/08/15/660420815.db2.gz BBOUUGCDSBEREB-GXTWGEPZSA-N 1 0 390.285 2.840 20 0 GFADRO O=C(c1ccoc1)N1CCC([NH2+]C[C@@H](O)c2ccccc2Br)CC1 ZINC000825342520 660421560 /nfs/dbraw/zinc/42/15/60/660421560.db2.gz DOLRXCANYGCVKQ-QGZVFWFLSA-N 1 0 393.281 2.970 20 0 GFADRO COCCN(C)c1ccc(C[NH2+]C[C@@H](O)c2ccccc2Br)cn1 ZINC000825343884 660421967 /nfs/dbraw/zinc/42/19/67/660421967.db2.gz RCSHOFZQDRPUPM-QGZVFWFLSA-N 1 0 394.313 2.750 20 0 GFADRO C[C@@H](CS(=O)(=O)c1ccccc1)[NH2+]C[C@H](O)c1ccccc1Br ZINC000825342809 660421969 /nfs/dbraw/zinc/42/19/69/660421969.db2.gz HBXLSLPKGCSTPX-GUYCJALGSA-N 1 0 398.322 2.935 20 0 GFADRO O=S(=O)(c1ccc(OCC[NH2+][C@@H]2CO[C@H](C3CC3)C2)cc1)C(F)(F)F ZINC000825380025 660423976 /nfs/dbraw/zinc/42/39/76/660423976.db2.gz WDEZJNBBPOWIPU-WFASDCNBSA-N 1 0 379.400 2.516 20 0 GFADRO CN(CC[N@H+](C)CCO)C(=O)c1cc(-c2ccc(Br)cc2)ns1 ZINC000825527518 660432028 /nfs/dbraw/zinc/43/20/28/660432028.db2.gz PPWVZZMHGOKWBV-UHFFFAOYSA-N 1 0 398.326 2.569 20 0 GFADRO Cc1c(Br)cc(F)cc1C(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000826568406 660457159 /nfs/dbraw/zinc/45/71/59/660457159.db2.gz BRDLXIIWEZBEFG-CQSZACIVSA-N 1 0 385.277 2.568 20 0 GFADRO CN(C(=O)c1cc(Br)n(C)n1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000826574585 660457944 /nfs/dbraw/zinc/45/79/44/660457944.db2.gz SYOISGGLAIDBRS-HNNXBMFYSA-N 1 0 391.313 2.919 20 0 GFADRO C[NH+](C)CCC[C@H]1CN(C(=O)c2cnc(CCC(F)(F)F)s2)CCO1 ZINC000826695137 660461668 /nfs/dbraw/zinc/46/16/68/660461668.db2.gz MMANMIHDKLXHSR-LBPRGKRZSA-N 1 0 379.448 2.821 20 0 GFADRO C[C@]1(C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)CC1(Br)Br ZINC000826769413 660464247 /nfs/dbraw/zinc/46/42/47/660464247.db2.gz LPUWXXODKHFHLJ-WCQYABFASA-N 1 0 394.151 2.969 20 0 GFADRO Cn1c(C(=O)N2CCC([NH+]3CCC3)CC2)cc2cc(Br)cnc21 ZINC000826936598 660472561 /nfs/dbraw/zinc/47/25/61/660472561.db2.gz SHECVFMUELHXED-UHFFFAOYSA-N 1 0 377.286 2.646 20 0 GFADRO CCO[C@@H]1C[C@@H]([NH2+]CCS(=O)(=O)CC(F)(F)F)[C@H]1Sc1ccccc1 ZINC000827044854 660476881 /nfs/dbraw/zinc/47/68/81/660476881.db2.gz POARXSOGYAREDL-RBSFLKMASA-N 1 0 397.484 2.891 20 0 GFADRO CC(C)[NH+]1CCC(N2CCN(C(=O)C[C@@]3(C)CC3(Cl)Cl)CC2)CC1 ZINC000827118155 660479680 /nfs/dbraw/zinc/47/96/80/660479680.db2.gz UBRDRUUACUOLAD-KRWDZBQOSA-N 1 0 376.372 2.977 20 0 GFADRO C[C@]12CCN(C(=O)CC[C@@H]3CCC[NH2+]3)C[C@H]1C2(Br)Br ZINC000852901859 661876928 /nfs/dbraw/zinc/87/69/28/661876928.db2.gz TUOLACBTSSXKJH-LOWVWBTDSA-N 1 0 394.151 2.873 20 0 GFADRO C[C@]12CCN(C(=O)[C@@H]3CCC[NH2+]CC3)C[C@H]1C2(Br)Br ZINC000852901704 661876941 /nfs/dbraw/zinc/87/69/41/661876941.db2.gz OREKLUQUUILONS-WZRBSPASSA-N 1 0 394.151 2.731 20 0 GFADRO C[C@]12CCN(C(=O)[C@H]3CCC[NH2+]CC3)C[C@H]1C2(Br)Br ZINC000852901703 661876944 /nfs/dbraw/zinc/87/69/44/661876944.db2.gz OREKLUQUUILONS-LOWVWBTDSA-N 1 0 394.151 2.731 20 0 GFADRO Cn1nc(Br)cc1CN1CC[C@H]([N@H+](C)CCc2ccccc2)C1 ZINC000827179400 660482540 /nfs/dbraw/zinc/48/25/40/660482540.db2.gz XDMFKCDBQHQMIY-INIZCTEOSA-N 1 0 377.330 2.931 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3[C@@H]4Cc5cc(Br)ccc5[C@@H]43)CC[C@@H]21 ZINC000827221458 660485102 /nfs/dbraw/zinc/48/51/02/660485102.db2.gz XECZXJWZPBERSO-FKHNRKFTSA-N 1 0 375.310 2.887 20 0 GFADRO COc1cc(C(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)cc(OC)c1Br ZINC000827353194 660490978 /nfs/dbraw/zinc/49/09/78/660490978.db2.gz APEAFAZBBLNMJL-WCQYABFASA-N 1 0 383.286 2.633 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc(=O)[nH]c4c(Br)cccc34)CC[C@@H]21 ZINC000827312059 660488467 /nfs/dbraw/zinc/48/84/67/660488467.db2.gz UCGUPXYZRMYLRH-ABAIWWIYSA-N 1 0 390.281 2.869 20 0 GFADRO COC(=O)N(C)CC[NH2+]Cc1cc(Br)cc(Br)c1N ZINC000827377386 660492680 /nfs/dbraw/zinc/49/26/80/660492680.db2.gz XHUIYJWVFZCZRN-UHFFFAOYSA-N 1 0 395.095 2.582 20 0 GFADRO Cc1ccc(Br)c(C(=O)N2CCC([NH+]3CCN(C)CC3)CC2)c1 ZINC000827449761 660496386 /nfs/dbraw/zinc/49/63/86/660496386.db2.gz JLUYAPZHELHNLA-UHFFFAOYSA-N 1 0 380.330 2.610 20 0 GFADRO C[N@@H+]1CC[C@H](NC(=O)c2c(Br)nc3n2CCC3)[C@@H]1c1ccccc1 ZINC000827451668 660496879 /nfs/dbraw/zinc/49/68/79/660496879.db2.gz ITDXYTIRGNWSNE-ZFWWWQNUSA-N 1 0 389.297 2.767 20 0 GFADRO C[C@H](NC(=O)c1cc(Br)n(C)n1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000828016471 660526456 /nfs/dbraw/zinc/52/64/56/660526456.db2.gz XPBBTYYCRBTBQY-ZFWWWQNUSA-N 1 0 391.313 2.823 20 0 GFADRO C[C@@H](NC(=O)c1c(Br)nc2n1CCC2)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000828145562 660537556 /nfs/dbraw/zinc/53/75/56/660537556.db2.gz MUMYXJOMEASCHS-CHWSQXEVSA-N 1 0 395.345 2.975 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3cnnn3-c3cccc(Cl)c3Cl)CC[C@@H]21 ZINC000828512596 660553516 /nfs/dbraw/zinc/55/35/16/660553516.db2.gz WODKWVRILVVRCX-YPMHNXCESA-N 1 0 380.279 2.740 20 0 GFADRO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)c1cc2ccc(Br)cc2c(=O)o1 ZINC000828961357 660576793 /nfs/dbraw/zinc/57/67/93/660576793.db2.gz WDGVOFKKENGDMO-LSDHHAIUSA-N 1 0 391.265 2.864 20 0 GFADRO O=C(Nc1ccc2c(c1)SCC(=O)N2)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000829018231 660578863 /nfs/dbraw/zinc/57/88/63/660578863.db2.gz UYLAMUNJDCADPC-CQSZACIVSA-N 1 0 377.535 2.887 20 0 GFADRO CC[NH+](CC)[C@H]1CCN(C(=O)c2cccc(S(=O)(=O)C(F)(F)F)c2)C1 ZINC000829201242 660585130 /nfs/dbraw/zinc/58/51/30/660585130.db2.gz GCRFZBNCFPJISB-ZDUSSCGKSA-N 1 0 378.416 2.536 20 0 GFADRO Cc1cccc(CC(=O)N(C)CC[NH+]2CC3(C2)CCOCC3)c1Br ZINC000829222398 660585912 /nfs/dbraw/zinc/58/59/12/660585912.db2.gz VMIRMAFPIJTREG-UHFFFAOYSA-N 1 0 395.341 2.871 20 0 GFADRO C[C@@]1(CN2C(=O)N[C@]3(CC[N@H+](Cc4ccccc4)C3)C2=O)CC1(Cl)Cl ZINC000829449026 660592899 /nfs/dbraw/zinc/59/28/99/660592899.db2.gz JGLHVDIFMQCEDR-IRXDYDNUSA-N 1 0 382.291 2.767 20 0 GFADRO CN(CCOCC[NH3+])C(=O)Nc1nnc(-c2cc(Cl)cc(Cl)c2)s1 ZINC000625900257 652375607 /nfs/dbraw/zinc/37/56/07/652375607.db2.gz PECISLXBJNMSGB-UHFFFAOYSA-N 1 0 390.296 2.951 20 0 GFADRO Cc1cc(Br)c(Cl)cc1S(=O)(=O)N1CC[C@H]([C@H](C)[NH3+])C1 ZINC000883466216 663055472 /nfs/dbraw/zinc/05/54/72/663055472.db2.gz IIMXNOUNLVCULT-UWVGGRQHSA-N 1 0 381.723 2.769 20 0 GFADRO C[C@H](NC(=O)[C@@]1(C)CC1(Br)Br)C1=CC[N@H+](C)CC1 ZINC000831936333 660738362 /nfs/dbraw/zinc/73/83/62/660738362.db2.gz LVRJAQFUGXGPEO-JOYOIKCWSA-N 1 0 380.124 2.649 20 0 GFADRO CS[C@@H]1CN(C(=O)c2sc(Br)nc2C)C[C@H]1[NH+]1CCCC1 ZINC000832131475 660756532 /nfs/dbraw/zinc/75/65/32/660756532.db2.gz MGTJYGGSLMLYIG-GHMZBOCLSA-N 1 0 390.372 2.866 20 0 GFADRO O=C(/C=C(\c1ccc(Cl)cc1)C(F)(F)F)NCCCN1CC[NH2+]CC1 ZINC000832217447 660764372 /nfs/dbraw/zinc/76/43/72/660764372.db2.gz GOKOIAOYUOFVHU-NTCAYCPXSA-N 1 0 375.822 2.697 20 0 GFADRO C[C@H](Sc1nc2ccccc2s1)C(=O)NC[C@@H]1CCCC[N@@H+]1CCO ZINC000833559763 660808525 /nfs/dbraw/zinc/80/85/25/660808525.db2.gz WOLRRFFGTVLCGP-KBPBESRZSA-N 1 0 379.551 2.740 20 0 GFADRO CC(C)(CNC(=O)c1csc(I)n1)C[NH+]1CCCC1 ZINC000834370166 660816783 /nfs/dbraw/zinc/81/67/83/660816783.db2.gz ZUFTVRVDGVCRBM-UHFFFAOYSA-N 1 0 393.294 2.600 20 0 GFADRO CCCNC(=O)CN1CCC([NH2+][C@H](C)c2nc(Br)cs2)CC1 ZINC000834507682 660822728 /nfs/dbraw/zinc/82/27/28/660822728.db2.gz BSRBXVWDVMCDFY-LLVKDONJSA-N 1 0 389.363 2.547 20 0 GFADRO C[C@H]([NH2+]CCCN1CCOC1=O)c1ccc(F)c(I)c1 ZINC000834562134 660824918 /nfs/dbraw/zinc/82/49/18/660824918.db2.gz CZFISCMATCPLTR-JTQLQIEISA-N 1 0 392.212 2.923 20 0 GFADRO C[C@@H](NC(=O)c1cnn(-c2ncccc2Cl)c1C(F)(F)Cl)[C@H](C)[NH3+] ZINC000834821364 660834276 /nfs/dbraw/zinc/83/42/76/660834276.db2.gz OMMXCPUNWDTZJJ-JGVFFNPUSA-N 1 0 378.210 2.674 20 0 GFADRO CC[C@H]([NH2+]CCS(=O)(=O)C1CCOCC1)c1cc(Cl)ccc1OC ZINC000834891270 660837310 /nfs/dbraw/zinc/83/73/10/660837310.db2.gz ROEYUSGMJGRWPQ-INIZCTEOSA-N 1 0 375.918 2.983 20 0 GFADRO CC(C)(C)OC(=O)N1CCc2nc(C[NH2+]CCSCCCO)sc2C1 ZINC000835036378 660839084 /nfs/dbraw/zinc/83/90/84/660839084.db2.gz COXYUKBPXOOTPO-UHFFFAOYSA-N 1 0 387.571 2.642 20 0 GFADRO C[NH+](C)C1(CNC(=O)NC[C@H](O)c2ccccc2Br)CCCC1 ZINC000836342149 660900504 /nfs/dbraw/zinc/90/05/04/660900504.db2.gz BITVFZCIGOUANS-HNNXBMFYSA-N 1 0 384.318 2.656 20 0 GFADRO C[C@@H](CNC(=O)NC[C@H](O)c1ccccc1Br)[NH+]1CCCCC1 ZINC000836346192 660900783 /nfs/dbraw/zinc/90/07/83/660900783.db2.gz SJRMOBJTHSUKJP-BBRMVZONSA-N 1 0 384.318 2.656 20 0 GFADRO C[C@]1(CCNC(=O)N[C@@H]2CCCC[C@H]2N2CCOCC2)CC1(Cl)Cl ZINC000836362788 660901876 /nfs/dbraw/zinc/90/18/76/660901876.db2.gz UKELWSHTYRQHLF-FMKPAKJESA-N 1 0 378.344 2.903 20 0 GFADRO CC(C)[NH+]1CCC(N2CCN(C(=O)NC[C@@]3(C)CC3(Cl)Cl)CC2)CC1 ZINC000836588718 660918084 /nfs/dbraw/zinc/91/80/84/660918084.db2.gz JQXZTGQRMKLNGD-QGZVFWFLSA-N 1 0 391.387 2.770 20 0 GFADRO C[N@H+](CCCCNC(=O)NC[C@@H](O)c1ccccc1Br)C1CC1 ZINC000836686832 660929577 /nfs/dbraw/zinc/92/95/77/660929577.db2.gz KKDYFAMITZTQHE-MRXNPFEDSA-N 1 0 384.318 2.656 20 0 GFADRO C[N@H+](CCCCNC(=O)NC[C@H](O)c1cccc(Br)c1)C1CC1 ZINC000836687046 660929725 /nfs/dbraw/zinc/92/97/25/660929725.db2.gz MIJRMAHELUGUBU-INIZCTEOSA-N 1 0 384.318 2.656 20 0 GFADRO CC[NH+](CC)CCN(C(=S)Nc1cccc(C)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000011047391 654495540 /nfs/dbraw/zinc/49/55/40/654495540.db2.gz NWEJGAZDZYNEQP-QGZVFWFLSA-N 1 0 383.583 2.523 20 0 GFADRO CCS(=O)(=O)N1CCC([NH2+][C@H](C)c2ccc(Br)cc2)CC1 ZINC000021814216 654530025 /nfs/dbraw/zinc/53/00/25/654530025.db2.gz VZBVJFUBCLWGGI-GFCCVEGCSA-N 1 0 375.332 2.914 20 0 GFADRO CC(C)[C@H](NC(=O)c1cccs1)C(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000027677147 654565125 /nfs/dbraw/zinc/56/51/25/654565125.db2.gz SPKIFNQOVCNWKK-CJNGLKHVSA-N 1 0 379.551 2.983 20 0 GFADRO O[C@H](C[NH2+]Cc1ccc(Br)cc1)CN1CCc2ccccc2C1 ZINC000030903588 654590049 /nfs/dbraw/zinc/59/00/49/654590049.db2.gz XBHZJQWPIHITJR-LJQANCHMSA-N 1 0 375.310 2.958 20 0 GFADRO O=S(=O)(NCC[NH+]1CCCCCC1)c1cc(Br)cnc1Cl ZINC000041066346 654622021 /nfs/dbraw/zinc/62/20/21/654622021.db2.gz GECBALFXTUFZRU-UHFFFAOYSA-N 1 0 396.738 2.652 20 0 GFADRO Cc1n[nH]c(C(=O)N(C)C2CC[NH+](CCC(F)(F)F)CC2)c1Br ZINC000837185103 660975995 /nfs/dbraw/zinc/97/59/95/660975995.db2.gz SOWUXKSDDFODIR-UHFFFAOYSA-N 1 0 397.239 2.969 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)NC[C@H](O)c2ccccc2Br)C1 ZINC000837197146 660977305 /nfs/dbraw/zinc/97/73/05/660977305.db2.gz NOLMMQCNXVAOQO-YOEHRIQHSA-N 1 0 387.293 2.811 20 0 GFADRO NC(=O)C1CC[NH+](CCCNC(=S)Nc2cc(Cl)cc(Cl)c2)CC1 ZINC000044159092 654654712 /nfs/dbraw/zinc/65/47/12/654654712.db2.gz CYDLABIRMVWLIW-UHFFFAOYSA-N 1 0 389.352 2.867 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CNC(=S)NCc1ccc(N2CCSCC2)cc1 ZINC000044236060 654655527 /nfs/dbraw/zinc/65/55/27/654655527.db2.gz PEBXSYGGSHMMHJ-GOSISDBHSA-N 1 0 378.611 2.688 20 0 GFADRO CN(Cc1ccc(Br)cc1)C(=O)NCCCC[NH+]1CCOCC1 ZINC000046750484 654684836 /nfs/dbraw/zinc/68/48/36/654684836.db2.gz JSRQKLQSFIEFHE-UHFFFAOYSA-N 1 0 384.318 2.703 20 0 GFADRO C[C@@H]1CCC[N@H+](CCNC(=O)Cc2cc3c(cc2Br)OCCO3)C1 ZINC000046880562 654686991 /nfs/dbraw/zinc/68/69/91/654686991.db2.gz WXWMUIQSAHNLQD-CYBMUJFWSA-N 1 0 397.313 2.611 20 0 GFADRO C[C@@H](Oc1ccc(Br)cc1)C(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000047432739 654694770 /nfs/dbraw/zinc/69/47/70/654694770.db2.gz UKAKBWJWUJUZEO-QLFBSQMISA-N 1 0 399.329 2.832 20 0 GFADRO C[C@@H](CNC(=O)c1c(Br)nc2n1CCCC2)C[NH+]1CCCCC1 ZINC000837354455 660988853 /nfs/dbraw/zinc/98/88/53/660988853.db2.gz FPZUOEFEDUIAGY-ZDUSSCGKSA-N 1 0 383.334 2.834 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)c1nc(N2CCCC2)ncc1Cl)c1ccsc1 ZINC000047537822 654696961 /nfs/dbraw/zinc/69/69/61/654696961.db2.gz BIMKHQCZQIUEDT-CQSZACIVSA-N 1 0 379.917 2.824 20 0 GFADRO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)c1ccc(Br)cc1F ZINC000048402013 654706234 /nfs/dbraw/zinc/70/62/34/654706234.db2.gz DVYNHRGETDCXPH-UHFFFAOYSA-N 1 0 386.309 2.686 20 0 GFADRO O=S(=O)(c1sccc1Br)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000049060978 654714455 /nfs/dbraw/zinc/71/44/55/654714455.db2.gz UOIYOSYWKKEXRU-PWSUYJOCSA-N 1 0 379.345 2.663 20 0 GFADRO C[NH+](C)CCC1CCN(C(=O)c2c(Br)nc3n2CCCC3)CC1 ZINC000837415047 660994764 /nfs/dbraw/zinc/99/47/64/660994764.db2.gz MDEQPZPDQFDMTL-UHFFFAOYSA-N 1 0 383.334 2.786 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)c1ccn(-c2cccc(Br)c2)n1 ZINC000122295463 654732833 /nfs/dbraw/zinc/73/28/33/654732833.db2.gz SMWYAJOSDYSXCF-BLLLJJGKSA-N 1 0 377.286 2.977 20 0 GFADRO CC[N@@H+](CC(=O)N(C)CCOc1ccc(Br)cc1)C[C@@H]1CCOC1 ZINC000052071549 654732861 /nfs/dbraw/zinc/73/28/61/654732861.db2.gz DILLGRFWBGSZMP-HNNXBMFYSA-N 1 0 399.329 2.645 20 0 GFADRO Cc1ccc(NC(=O)C(=O)NC[C@H](C)C[NH+]2CCCC2)c(Br)c1 ZINC000122420886 654736229 /nfs/dbraw/zinc/73/62/29/654736229.db2.gz LASNRLRVXVKOQK-ZDUSSCGKSA-N 1 0 382.302 2.544 20 0 GFADRO Cc1ccc(NC(=O)C(=O)NC[C@@H](C)C[NH+]2CCCC2)cc1Br ZINC000122445262 654737373 /nfs/dbraw/zinc/73/73/73/654737373.db2.gz PZJLWJKDFCHCNA-GFCCVEGCSA-N 1 0 382.302 2.544 20 0 GFADRO Cc1cc(NC(=O)C(=O)NC[C@H](C(C)C)[NH+]2CCCC2)ccc1Br ZINC000122822190 654743928 /nfs/dbraw/zinc/74/39/28/654743928.db2.gz ASKHERCUGDITCM-MRXNPFEDSA-N 1 0 396.329 2.933 20 0 GFADRO COCC[N@H+](C)CCCNC(=O)N[C@@H](C)Cc1ccccc1Br ZINC000123000711 654749790 /nfs/dbraw/zinc/74/97/90/654749790.db2.gz HVFYLPSIVULCNW-AWEZNQCLSA-N 1 0 386.334 2.648 20 0 GFADRO C[C@@H]1C[C@H](N(C)C(=O)CSc2nnc(-c3cccs3)n2C)CC[N@@H+]1C ZINC000123759657 654762721 /nfs/dbraw/zinc/76/27/21/654762721.db2.gz LICHLSHAGPYFOH-CHWSQXEVSA-N 1 0 379.555 2.577 20 0 GFADRO Cc1ccc(NC(=O)C(=O)NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)cc1Br ZINC000123817377 654764653 /nfs/dbraw/zinc/76/46/53/654764653.db2.gz HBEAMCYYFSUEHT-JSGCOSHPSA-N 1 0 396.329 2.933 20 0 GFADRO C[NH+](C)CC[C@@H](NC(=O)c1nscc1I)C(C)(C)C ZINC000906719862 663966689 /nfs/dbraw/zinc/96/66/89/663966689.db2.gz VIMKRJGHDWHKBP-SNVBAGLBSA-N 1 0 395.310 2.844 20 0 GFADRO O=C([C@H]1CCC[N@@H+](CCOc2ccc(Cl)cc2Cl)C1)N1CCOCC1 ZINC000054994446 654767228 /nfs/dbraw/zinc/76/72/28/654767228.db2.gz URJVPFHEIXYKSI-AWEZNQCLSA-N 1 0 387.307 2.943 20 0 GFADRO CC1CC[NH+](CCNC(=O)N(C)C[C@H](O)c2ccccc2Br)CC1 ZINC000837516239 661003014 /nfs/dbraw/zinc/00/30/14/661003014.db2.gz DAYCPRRLWMDRPZ-KRWDZBQOSA-N 1 0 398.345 2.856 20 0 GFADRO CC[NH+](CC)[C@H]1CCN(Cn2nc(Br)c(=O)c3ccccc32)C1 ZINC000124238584 654772435 /nfs/dbraw/zinc/77/24/35/654772435.db2.gz HGDCVHTUQLNVSR-ZDUSSCGKSA-N 1 0 379.302 2.533 20 0 GFADRO COC(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@H](C)C[NH+]2CCCCC2)c1 ZINC000055281567 654772745 /nfs/dbraw/zinc/77/27/45/654772745.db2.gz VKWNYFVHALWGEK-ZDUSSCGKSA-N 1 0 388.917 2.527 20 0 GFADRO C[C@H](CNC(=O)Cc1cc2c(cc1Br)OCCO2)C[NH+]1CCCC1 ZINC000055539326 654776172 /nfs/dbraw/zinc/77/61/72/654776172.db2.gz UZWMTQWKEDIZTQ-CYBMUJFWSA-N 1 0 397.313 2.611 20 0 GFADRO O=C1NCCCC[C@H]1[NH2+]Cc1ccc(Br)c(Br)c1 ZINC000124514133 654777057 /nfs/dbraw/zinc/77/70/57/654777057.db2.gz NKIWFQPNDYLEOQ-GFCCVEGCSA-N 1 0 376.092 2.970 20 0 GFADRO C[C@H](CNC(=O)NNC(=O)c1ccccc1Br)C[NH+]1CCCCC1 ZINC000057044065 654798600 /nfs/dbraw/zinc/79/86/00/654798600.db2.gz CUXNBQBSIDEDQN-CYBMUJFWSA-N 1 0 397.317 2.515 20 0 GFADRO CN1CC[NH+](CC2CCN(C(=O)CSc3ccc(Cl)cc3)CC2)CC1 ZINC000057066537 654799288 /nfs/dbraw/zinc/79/92/88/654799288.db2.gz YLJOZCBRAGXWIR-UHFFFAOYSA-N 1 0 381.973 2.918 20 0 GFADRO C[C@@H](CNC(=O)c1ccc(F)cc1I)[N@H+](C)C1CC1 ZINC000057708986 654808849 /nfs/dbraw/zinc/80/88/49/654808849.db2.gz GIKQOQRLXKNINY-VIFPVBQESA-N 1 0 376.213 2.643 20 0 GFADRO Cc1ccc(NC(=O)NC2CCN(CC[NH+](C)C)CC2)cc1Br ZINC000126208504 654810113 /nfs/dbraw/zinc/81/01/13/654810113.db2.gz MEXDGWCPNONXPO-UHFFFAOYSA-N 1 0 383.334 2.905 20 0 GFADRO C[C@@H]1C[C@H](C)CN(S(=O)(=O)NCC2CC[NH+](Cc3cccs3)CC2)C1 ZINC000057928577 654812448 /nfs/dbraw/zinc/81/24/48/654812448.db2.gz LKLPCZPDIXYWLJ-IYBDPMFKSA-N 1 0 385.599 2.772 20 0 GFADRO C[C@H]1C[NH2+]CCN1C(=O)c1cc(I)cc(C(F)(F)F)c1 ZINC000126402987 654813967 /nfs/dbraw/zinc/81/39/67/654813967.db2.gz ZZMRQNYFCYWRSR-QMMMGPOBSA-N 1 0 398.166 2.744 20 0 GFADRO Fc1ccc(CC[NH+]2CCC(=NNC(=S)NCC(F)(F)F)CC2)cc1 ZINC000058200610 654816380 /nfs/dbraw/zinc/81/63/80/654816380.db2.gz ZUDURSONNOARAL-UHFFFAOYSA-N 1 0 376.423 2.846 20 0 GFADRO O[C@H](COCc1ccccc1Cl)C[N@@H+]1CCCN(CC(F)(F)F)CC1 ZINC000058578209 654820057 /nfs/dbraw/zinc/82/00/57/654820057.db2.gz DFJIYJVUTGKMHB-HNNXBMFYSA-N 1 0 380.838 2.788 20 0 GFADRO C[C@@H](NS(=O)(=O)c1cccs1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000060358035 654828205 /nfs/dbraw/zinc/82/82/05/654828205.db2.gz OIYDCMMLXVDWBG-CYBMUJFWSA-N 1 0 383.514 2.679 20 0 GFADRO COCC[N@H+](C)CCCNC(=O)N(C)Cc1cc(Br)ccc1F ZINC000060546799 654831211 /nfs/dbraw/zinc/83/12/11/654831211.db2.gz BVKJZYZRBAGKTF-UHFFFAOYSA-N 1 0 390.297 2.698 20 0 GFADRO O=S(=O)(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1cc(F)ccc1Cl ZINC000127526633 654831472 /nfs/dbraw/zinc/83/14/72/654831472.db2.gz JFMQIGPCOFJMAA-CVEARBPZSA-N 1 0 390.908 2.525 20 0 GFADRO CC(C)(CNC(=O)c1ccc(Cl)c(NS(C)(=O)=O)c1)[NH+]1CCCCC1 ZINC000061619911 654840864 /nfs/dbraw/zinc/84/08/64/654840864.db2.gz QLJVFSMEMSYAIO-UHFFFAOYSA-N 1 0 387.933 2.706 20 0 GFADRO O=C(CCSc1ccccc1Br)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000061649299 654841495 /nfs/dbraw/zinc/84/14/95/654841495.db2.gz WBVXEKDLWRBKPR-UONOGXRCSA-N 1 0 399.354 2.911 20 0 GFADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)Nc2ccc(Br)c(C)n2)CC1 ZINC000128377859 654845067 /nfs/dbraw/zinc/84/50/67/654845067.db2.gz CFALCYTXDUCTOH-ZDUSSCGKSA-N 1 0 398.349 2.548 20 0 GFADRO C[NH+](C)[C@H]1CC[C@H](NC(=O)C2CCN(C(=O)c3ccc(Cl)s3)CC2)C1 ZINC000128409041 654845987 /nfs/dbraw/zinc/84/59/87/654845987.db2.gz RGBPLAJWMVVMAY-KBPBESRZSA-N 1 0 383.945 2.853 20 0 GFADRO CC(C)[C@H]([NH3+])CCN(C)CC(=O)Nc1ccccc1I ZINC000128471474 654847752 /nfs/dbraw/zinc/84/77/52/654847752.db2.gz XUIHSSMATFDTFG-CYBMUJFWSA-N 1 0 389.281 2.535 20 0 GFADRO Cc1nc(NC(=O)NC[C@@H](C(C)C)[NH+]2CCN(C)CC2)ccc1Br ZINC000128622743 654848833 /nfs/dbraw/zinc/84/88/33/654848833.db2.gz RTYSBQCMZARMEX-HNNXBMFYSA-N 1 0 398.349 2.546 20 0 GFADRO C[C@H](c1ccccc1Cl)N1CCN(C(=S)NC2CC[NH+](C)CC2)CC1 ZINC000063147663 654849615 /nfs/dbraw/zinc/84/96/15/654849615.db2.gz RFBBJTQGRIFOMA-OAHLLOKOSA-N 1 0 380.989 2.987 20 0 GFADRO COc1cc(C[NH2+]C2CCOCC2)cc(I)c1OC ZINC000063319039 654852141 /nfs/dbraw/zinc/85/21/41/654852141.db2.gz VBNYYPFBTSXLRH-UHFFFAOYSA-N 1 0 377.222 2.577 20 0 GFADRO O=C(NCC1([NH+]2CCCCC2)CCOCC1)c1ccnc(Br)c1 ZINC000128999769 654854138 /nfs/dbraw/zinc/85/41/38/654854138.db2.gz PUVZAGSXTZANCO-UHFFFAOYSA-N 1 0 382.302 2.609 20 0 GFADRO O=C(C[C@H]1CC[NH2+]C1)NCC1(c2ccc(Br)cc2)CCOCC1 ZINC000129018560 654854145 /nfs/dbraw/zinc/85/41/45/654854145.db2.gz IEBWOACZBVWMGC-CQSZACIVSA-N 1 0 381.314 2.613 20 0 GFADRO Cc1cc(Br)c(S(=O)(=O)NC2CC[NH+](C3CC3)CC2)s1 ZINC000266191562 654861980 /nfs/dbraw/zinc/86/19/80/654861980.db2.gz ICEVDGRXPZYDQB-UHFFFAOYSA-N 1 0 379.345 2.724 20 0 GFADRO CCCS(=O)(=O)Nc1ccc(NC(=O)CSCC[NH+](CC)CC)cc1 ZINC000266199294 654862574 /nfs/dbraw/zinc/86/25/74/654862574.db2.gz YORXPZHFBGYQSP-UHFFFAOYSA-N 1 0 387.571 2.852 20 0 GFADRO Cc1cc(Br)c(S(=O)(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)s1 ZINC000266249476 654866414 /nfs/dbraw/zinc/86/64/14/654866414.db2.gz XLITWHBSDLTCNH-KOLCDFICSA-N 1 0 381.361 2.922 20 0 GFADRO O=C(/C=C/c1cc(Br)cs1)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000266293014 654869476 /nfs/dbraw/zinc/86/94/76/654869476.db2.gz ZONLIDOJIUAKFN-ONEGZZNKSA-N 1 0 398.370 2.764 20 0 GFADRO COCC[N@H+]1[C@H](C)CN(CC(=O)Nc2ccc(C)cc2Br)C[C@@H]1C ZINC000129777035 654873301 /nfs/dbraw/zinc/87/33/01/654873301.db2.gz OQKCROQNXMVDIG-GASCZTMLSA-N 1 0 398.345 2.737 20 0 GFADRO C[C@H](OCC1CC1)C(=O)Nc1cc(Br)ccc1N1CC[NH+](C)CC1 ZINC000064781467 654875310 /nfs/dbraw/zinc/87/53/10/654875310.db2.gz BTQYGUPWVWSHAU-ZDUSSCGKSA-N 1 0 396.329 2.955 20 0 GFADRO Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)c1cc(C(N)=O)cs1 ZINC000129867162 654875732 /nfs/dbraw/zinc/87/57/32/654875732.db2.gz BEKBAIHSFYUPDL-UHFFFAOYSA-N 1 0 375.519 2.957 20 0 GFADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)Nc3ccc(F)c(Br)c3)C2)CC1 ZINC000266467248 654880402 /nfs/dbraw/zinc/88/04/02/654880402.db2.gz QWRZOERIYUGFJX-CQSZACIVSA-N 1 0 399.308 2.832 20 0 GFADRO Cn1ncc2c1CCC[C@@H]2[NH2+]CCNC(=O)c1ccc(Br)cc1 ZINC000130169102 654882220 /nfs/dbraw/zinc/88/22/20/654882220.db2.gz XERCTDYYQBRPFI-HNNXBMFYSA-N 1 0 377.286 2.580 20 0 GFADRO O=C(CC[NH2+]Cc1cc2c(c(Br)c1)OCO2)Nc1ccccn1 ZINC000065977840 654892277 /nfs/dbraw/zinc/89/22/77/654892277.db2.gz YCDQBPMDIPEXLR-UHFFFAOYSA-N 1 0 378.226 2.691 20 0 GFADRO CC[C@@H](C)[N@H+](C)CCNC(=O)[C@@H]1CCN(c2ccccc2Br)C1=O ZINC000066125087 654895422 /nfs/dbraw/zinc/89/54/22/654895422.db2.gz ASFFSHLBJMGCMQ-KGLIPLIRSA-N 1 0 396.329 2.649 20 0 GFADRO CC(C)n1cc(Br)cc1C(=O)NCCCC[N@@H+]1CCC[C@H]1CO ZINC000131631561 654911946 /nfs/dbraw/zinc/91/19/46/654911946.db2.gz VUIKMGPOEVFOBR-HNNXBMFYSA-N 1 0 386.334 2.798 20 0 GFADRO CC[NH+](CC)C[C@@H]1CCN(S(=O)(=O)c2ccc(NC(C)=O)c(Cl)c2)C1 ZINC000267187478 654915945 /nfs/dbraw/zinc/91/59/45/654915945.db2.gz KWTPCMHXOIJNAA-AWEZNQCLSA-N 1 0 387.933 2.651 20 0 GFADRO C[NH+](C)[C@]1(CNC(=O)CSc2ccc(C(F)(F)F)cn2)CCSC1 ZINC000267199622 654916849 /nfs/dbraw/zinc/91/68/49/654916849.db2.gz DPIFFVUWCANGBY-AWEZNQCLSA-N 1 0 379.473 2.746 20 0 GFADRO C[C@@H](CC(N)=O)[NH2+][C@@H](c1ccc(Cl)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000267204445 654917233 /nfs/dbraw/zinc/91/72/33/654917233.db2.gz GFRYMUQEDPTVFJ-SGTLLEGYSA-N 1 0 380.897 2.686 20 0 GFADRO COCCOc1c(Cl)cccc1NC(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000267217705 654918256 /nfs/dbraw/zinc/91/82/56/654918256.db2.gz RVZOHCZTTDSNTJ-QGZVFWFLSA-N 1 0 387.933 2.924 20 0 GFADRO CSc1ccc(Cl)cc1NC(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000267230509 654919035 /nfs/dbraw/zinc/91/90/35/654919035.db2.gz AGSICBAKRUVEDB-INIZCTEOSA-N 1 0 387.958 2.554 20 0 GFADRO CC[N@@H+]1CCCC[C@H]1CNC(=O)Cc1ccccc1I ZINC000131936933 654922346 /nfs/dbraw/zinc/92/23/46/654922346.db2.gz HAIVTWLPQKUYJD-AWEZNQCLSA-N 1 0 386.277 2.824 20 0 GFADRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)Cc1ccccc1I ZINC000131936710 654922348 /nfs/dbraw/zinc/92/23/48/654922348.db2.gz HAIVTWLPQKUYJD-CQSZACIVSA-N 1 0 386.277 2.824 20 0 GFADRO CC[N@H+](C)CCNC(=O)N[C@H](C)c1cc2c(cc1Br)OCCO2 ZINC000067002037 654924963 /nfs/dbraw/zinc/92/49/63/654924963.db2.gz MEDLJSOSKQENPT-LLVKDONJSA-N 1 0 386.290 2.532 20 0 GFADRO C[C@H]([NH2+][C@H]1CCCC[C@@H]1C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000132197201 654928729 /nfs/dbraw/zinc/92/87/29/654928729.db2.gz SQNNZZACXZCLAI-ZQIUZPCESA-N 1 0 388.555 2.642 20 0 GFADRO Cn1cc(Br)cc(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)c1=O ZINC000267550384 654934372 /nfs/dbraw/zinc/93/43/72/654934372.db2.gz BVENRYMTXIHTFG-MRXNPFEDSA-N 1 0 390.281 2.751 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)C(=O)N[C@@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000067397953 654937786 /nfs/dbraw/zinc/93/77/86/654937786.db2.gz AVHZVJHLNRKPDO-JSGCOSHPSA-N 1 0 396.329 2.933 20 0 GFADRO CC[NH+](CC)CCNC(=O)c1c(C)c2cc(Br)ccc2oc1=O ZINC000132643208 654944502 /nfs/dbraw/zinc/94/45/02/654944502.db2.gz NSMNDGNGKAKFPI-UHFFFAOYSA-N 1 0 381.270 2.936 20 0 GFADRO C[NH+](C)[C@@H](CNc1ccc(S(=O)(=O)N2CCCC2)cn1)c1cccs1 ZINC000067949286 654949951 /nfs/dbraw/zinc/94/99/51/654949951.db2.gz CSZXTWUHTLJDFI-HNNXBMFYSA-N 1 0 380.539 2.642 20 0 GFADRO C[C@H](CNC(=O)c1ccc(-n2cc(Br)cn2)cc1)[NH+]1CCCC1 ZINC000068064844 654953039 /nfs/dbraw/zinc/95/30/39/654953039.db2.gz HFXJLNOVVZPVCR-CYBMUJFWSA-N 1 0 377.286 2.849 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)c1ccc(Cl)c(S(C)(=O)=O)c1)C1CCCCC1 ZINC000068117873 654955185 /nfs/dbraw/zinc/95/51/85/654955185.db2.gz GFHFRLDWVLNWMR-INIZCTEOSA-N 1 0 386.945 2.984 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)[C@@]12CCC(=O)N1c1cc(Cl)ccc1S2)C1CC1 ZINC000068378774 654960918 /nfs/dbraw/zinc/96/09/18/654960918.db2.gz KSMQFLHRDXXIHN-KDOFPFPSSA-N 1 0 379.913 2.725 20 0 GFADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)Nc1c(F)cccc1Br ZINC000133338026 654961045 /nfs/dbraw/zinc/96/10/45/654961045.db2.gz MCZDQDAAZBOXSN-NEPJUHHUSA-N 1 0 398.276 2.612 20 0 GFADRO COc1ccc(C(=O)NCCC[N@H+](C)C(C)C)c(I)c1 ZINC000268328146 654967222 /nfs/dbraw/zinc/96/72/22/654967222.db2.gz AJYPXPNIHXPXOE-UHFFFAOYSA-N 1 0 390.265 2.760 20 0 GFADRO C[C@@H]1CN(C(=O)NC[C@@H]2CSCCS2)CC[N@H+](Cc2ccccc2)C1 ZINC000838511613 661048256 /nfs/dbraw/zinc/04/82/56/661048256.db2.gz UGDDOANPCVIFSN-FUHWJXTLSA-N 1 0 379.595 2.999 20 0 GFADRO C[NH2+][C@@H]1CCCN(C(=O)[C@@H](CCOC)Cc2cccc(Br)c2)C1 ZINC000134033713 654981252 /nfs/dbraw/zinc/98/12/52/654981252.db2.gz ZTNMBHMZJDVEQN-DOTOQJQBSA-N 1 0 383.330 2.855 20 0 GFADRO O=C(Cc1cccc(Br)c1)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000069746200 654986135 /nfs/dbraw/zinc/98/61/35/654986135.db2.gz HMFFOXKIPNWXRK-INIZCTEOSA-N 1 0 381.314 2.562 20 0 GFADRO CCS(=O)(=O)N(C)CCC[NH2+]C1CCN(Cc2ccccc2Cl)CC1 ZINC000268840435 654988730 /nfs/dbraw/zinc/98/87/30/654988730.db2.gz TXXGPWVGCCKUGP-UHFFFAOYSA-N 1 0 387.977 2.566 20 0 GFADRO NC(=O)[C@H]1CCCN1CCC[NH2+][C@@H]1CCc2c1cc(Br)cc2F ZINC000268934961 654991900 /nfs/dbraw/zinc/99/19/00/654991900.db2.gz RLEAWCQVQNZYLJ-HZPDHXFCSA-N 1 0 384.293 2.505 20 0 GFADRO O=S(=O)(NCCCCC[NH+]1CCCC1)c1cccc(Br)c1 ZINC000071296344 654999753 /nfs/dbraw/zinc/99/97/53/654999753.db2.gz WMBWWAPPXXIWAB-UHFFFAOYSA-N 1 0 375.332 2.994 20 0 GFADRO COC(=O)CCc1csc(NC(=O)NC[C@H](c2ccsc2)[NH+](C)C)n1 ZINC000269173779 655000431 /nfs/dbraw/zinc/00/04/31/655000431.db2.gz YAMVNJDJCWRNFX-CYBMUJFWSA-N 1 0 382.511 2.735 20 0 GFADRO O=C(N1CC[C@H]2CC[C@@H](C1)[NH2+]2)C1(c2ccc(Br)cc2)CCOCC1 ZINC000269197510 655001455 /nfs/dbraw/zinc/00/14/55/655001455.db2.gz RHQORYWXFWNHOZ-SJORKVTESA-N 1 0 393.325 2.850 20 0 GFADRO C[C@@H]1CN(C(=O)c2ccc(Cl)c(I)c2)CC[C@H]1[NH3+] ZINC000269240949 655002494 /nfs/dbraw/zinc/00/24/94/655002494.db2.gz CMUIMTYITJASQO-PRHODGIISA-N 1 0 378.641 2.754 20 0 GFADRO Cc1c(C(=O)N(C)Cc2cc(Br)cs2)nnn1C1CC[NH2+]CC1 ZINC000269252612 655003204 /nfs/dbraw/zinc/00/32/04/655003204.db2.gz VATZQZWSOVLRJJ-UHFFFAOYSA-N 1 0 398.330 2.607 20 0 GFADRO C[C@@H]1CN(C(=O)CCC[S@@](=O)c2ccc(Br)cc2)CC[C@@H]1[NH3+] ZINC000269285055 655004145 /nfs/dbraw/zinc/00/41/45/655004145.db2.gz RVYWAPDDEHWZHA-XTCJLCLGSA-N 1 0 387.343 2.533 20 0 GFADRO C[NH+](C)C1(CNC(=O)c2cc(Br)ccc2Cl)CCOCC1 ZINC000079306143 655007244 /nfs/dbraw/zinc/00/72/44/655007244.db2.gz VQPSFXYLDQKFMC-UHFFFAOYSA-N 1 0 375.694 2.943 20 0 GFADRO O=S(=O)(c1cc(F)ccc1Br)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000269367586 655007264 /nfs/dbraw/zinc/00/72/64/655007264.db2.gz RRMMJKNBVWSGOB-GFCCVEGCSA-N 1 0 391.306 2.695 20 0 GFADRO C[NH+](C)[C@H]1CCN(c2ccc(NC(=O)c3cccnc3Br)nc2)C1 ZINC000269408068 655008751 /nfs/dbraw/zinc/00/87/51/655008751.db2.gz GKJFTVJILWIBNT-ZDUSSCGKSA-N 1 0 390.285 2.632 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2ccc3nc(Cl)cnc3c2)[C@@H](C)C1 ZINC000269474771 655010748 /nfs/dbraw/zinc/01/07/48/655010748.db2.gz CZJMRCHNEYFRJG-BLLLJJGKSA-N 1 0 382.917 2.634 20 0 GFADRO C[C@@H]1C[N@@H+](C2CCN(Cc3cnc4ccc(Br)cn34)CC2)CCO1 ZINC000092078764 655011357 /nfs/dbraw/zinc/01/13/57/655011357.db2.gz AQNCUDCXKZCMQN-CQSZACIVSA-N 1 0 393.329 2.782 20 0 GFADRO Cc1cc(CN2CCC[C@@H](CNS(C)(=O)=O)C2)c(OC(F)F)cc1C ZINC000269541157 655013221 /nfs/dbraw/zinc/01/32/21/655013221.db2.gz WVZSMDKYYLVDBA-AWEZNQCLSA-N 1 0 376.469 2.666 20 0 GFADRO C[NH+]1CCC(O)(CNC(=O)c2ccc3cc(Br)ccc3c2)CC1 ZINC000269575694 655014209 /nfs/dbraw/zinc/01/42/09/655014209.db2.gz VBMQIENSPAQZQR-UHFFFAOYSA-N 1 0 377.282 2.789 20 0 GFADRO CC(C)[NH+]1CCC(O)(CNS(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC000269908376 655027037 /nfs/dbraw/zinc/02/70/37/655027037.db2.gz ZTUCGBHSEKEKPN-UHFFFAOYSA-N 1 0 381.325 2.507 20 0 GFADRO Cc1nn(C)c(Cl)c1S(=O)(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000096996870 655032847 /nfs/dbraw/zinc/03/28/47/655032847.db2.gz PYSSQKFNFJJYNA-UHFFFAOYSA-N 1 0 388.965 2.849 20 0 GFADRO C[NH+](C)CCn1cc(NC(=O)CCc2ccc(Br)cc2)ccc1=O ZINC000270074846 655033189 /nfs/dbraw/zinc/03/31/89/655033189.db2.gz HMWFQBFYFCXQMM-UHFFFAOYSA-N 1 0 392.297 2.744 20 0 GFADRO CCO[C@H]1CCC[N@H+](CC(=O)N(C)CCOc2ccc(Br)cc2)C1 ZINC000097592992 655036700 /nfs/dbraw/zinc/03/67/00/655036700.db2.gz IVEQYKJECJERTK-KRWDZBQOSA-N 1 0 399.329 2.787 20 0 GFADRO C[N@H+](CCCO)C1CCN(C(=O)COc2cc(Cl)cc(Cl)c2)CC1 ZINC000270370963 655042415 /nfs/dbraw/zinc/04/24/15/655042415.db2.gz LXXRMVRKMHZVRF-UHFFFAOYSA-N 1 0 375.296 2.677 20 0 GFADRO C[NH+]1CCC(CNC(=O)[C@@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)CC1 ZINC000101522473 655042419 /nfs/dbraw/zinc/04/24/19/655042419.db2.gz HHJDOLAHFDUNBL-AWEZNQCLSA-N 1 0 384.307 2.804 20 0 GFADRO C[N@H+](CCCO)C1CCN(C(=O)CCc2ccc(Br)cc2)CC1 ZINC000270402112 655043291 /nfs/dbraw/zinc/04/32/91/655043291.db2.gz VTMYGAQOVCTMTE-UHFFFAOYSA-N 1 0 383.330 2.687 20 0 GFADRO NC(=O)[C@H]([NH2+]C1CCN(CC(F)(F)F)CC1)c1cccc(Br)c1 ZINC000270645433 655052153 /nfs/dbraw/zinc/05/21/53/655052153.db2.gz ZIEVMPPWAHICGA-CYBMUJFWSA-N 1 0 394.235 2.592 20 0 GFADRO Cc1ccc(NC(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)c(Br)n1 ZINC000151564294 655052462 /nfs/dbraw/zinc/05/24/62/655052462.db2.gz SOBDBELAFFBOPY-STQMWFEESA-N 1 0 385.306 2.773 20 0 GFADRO CCn1ncc(C[NH2+]CC2(c3ccc(Br)cc3)CCOCC2)n1 ZINC000838921895 661063562 /nfs/dbraw/zinc/06/35/62/661063562.db2.gz FXOKAHJPZGCMKT-UHFFFAOYSA-N 1 0 379.302 2.899 20 0 GFADRO COc1cc(C(=O)N2C[C@@H]([NH+](C)C)[C@@H](SC)C2)sc1Br ZINC000270740565 655054634 /nfs/dbraw/zinc/05/46/34/655054634.db2.gz AAUDTIPJJHAGKE-KCJUWKMLSA-N 1 0 379.345 2.637 20 0 GFADRO CC[N@H+](CCNC(=O)NC[C@H](O)COc1cccc(Cl)c1Cl)C(C)C ZINC000102570235 655056057 /nfs/dbraw/zinc/05/60/57/655056057.db2.gz KQKBHPSTLACGEU-ZDUSSCGKSA-N 1 0 392.327 2.763 20 0 GFADRO C[C@@H](C[NH+]1CCCCC1)NC(=O)CSc1nnc(-c2cccs2)n1C ZINC000102635649 655056796 /nfs/dbraw/zinc/05/67/96/655056796.db2.gz MNOKKFKOAWVONO-ZDUSSCGKSA-N 1 0 379.555 2.626 20 0 GFADRO C[C@@H]1C[NH+](CC2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)C[C@@H](C)O1 ZINC000102661358 655057534 /nfs/dbraw/zinc/05/75/34/655057534.db2.gz KOEFXUYLHMCPQE-HUUCEWRRSA-N 1 0 386.945 2.850 20 0 GFADRO CC[N@@H+]1CC[C@H](CNC(=O)c2nc(C)n(-c3c(Cl)cccc3Cl)n2)C1 ZINC000102942314 655064487 /nfs/dbraw/zinc/06/44/87/655064487.db2.gz LCWXTSLARFJFJQ-GFCCVEGCSA-N 1 0 382.295 2.954 20 0 GFADRO CC(=O)OC1CC[NH+]([C@@H](C)C(=O)N(C)Cc2ccc(Br)cc2)CC1 ZINC000153360425 655066372 /nfs/dbraw/zinc/06/63/72/655066372.db2.gz UMDJIHORPFEZFL-ZDUSSCGKSA-N 1 0 397.313 2.824 20 0 GFADRO C[N@@H+](C[C@H](O)c1ccccc1Br)C[C@H](O)COCc1ccccc1 ZINC000153568332 655068098 /nfs/dbraw/zinc/06/80/98/655068098.db2.gz MPNFKHOTYTWFOM-LPHOPBHVSA-N 1 0 394.309 2.992 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)c1nccn2c(Br)cnc12)c1cccs1 ZINC000271197208 655069764 /nfs/dbraw/zinc/06/97/64/655069764.db2.gz HZHGEPVCPWDFQC-SNVBAGLBSA-N 1 0 394.298 2.586 20 0 GFADRO CCn1ncc(C[NH2+]C2CCN(Cc3ccc(Br)cc3)CC2)n1 ZINC000838977043 661066841 /nfs/dbraw/zinc/06/68/41/661066841.db2.gz IGIJXJISHACZJF-UHFFFAOYSA-N 1 0 378.318 2.815 20 0 GFADRO NC(=O)C[C@@H]1CCCC[N@@H+]1Cc1nc(-c2cccc(Br)c2)no1 ZINC000103287218 655070549 /nfs/dbraw/zinc/07/05/49/655070549.db2.gz IBVXVUOQZYTDQD-ZDUSSCGKSA-N 1 0 379.258 2.729 20 0 GFADRO CC(C)(C[NH2+]Cc1cccc(O)c1Br)[C@@H]1COCC12OCCO2 ZINC000839172003 661074292 /nfs/dbraw/zinc/07/42/92/661074292.db2.gz AKZUVQQDHFQCNK-AWEZNQCLSA-N 1 0 386.286 2.660 20 0 GFADRO CNS(=O)(=O)C1CC[NH+](C[C@@H](C)c2cccc(Br)c2)CC1 ZINC000271210064 655070719 /nfs/dbraw/zinc/07/07/19/655070719.db2.gz XVHDXKSPZQPSLL-GFCCVEGCSA-N 1 0 375.332 2.566 20 0 GFADRO O=C(NCCC[NH+]1CCN(Cc2ccc(F)cc2Cl)CC1)C(F)(F)F ZINC000154280877 655074670 /nfs/dbraw/zinc/07/46/70/655074670.db2.gz DQEJPQANXYPDGG-UHFFFAOYSA-N 1 0 381.801 2.665 20 0 GFADRO COc1cccc(NC(=[NH2+])NCCNC(=O)c2cccc(Br)c2)c1 ZINC000104190882 655079428 /nfs/dbraw/zinc/07/94/28/655079428.db2.gz FSUXCXQNSOBDJU-UHFFFAOYSA-N 1 0 391.269 2.614 20 0 GFADRO CCOCCCNC(=[NH2+])NCc1cc(Br)ccc1OC(F)F ZINC000104191059 655079493 /nfs/dbraw/zinc/07/94/93/655079493.db2.gz XUIIYEDODHMFIV-UHFFFAOYSA-N 1 0 380.233 2.881 20 0 GFADRO COCc1nc2n(n1)C[C@@H]([NH2+][C@@H]1CCc3c1cc(Br)cc3F)CC2 ZINC000271456817 655082026 /nfs/dbraw/zinc/08/20/26/655082026.db2.gz GVOBSFKMXJMCFH-XHDPSFHLSA-N 1 0 395.276 2.918 20 0 GFADRO Cn1cc(N2CC[C@@H]([NH2+][C@@H]3CCc4c3cc(Br)cc4F)C2=O)cn1 ZINC000271456855 655082030 /nfs/dbraw/zinc/08/20/30/655082030.db2.gz GWGIYQABYOOCOM-HZPDHXFCSA-N 1 0 393.260 2.704 20 0 GFADRO C[C@@H]([NH2+]C[C@H]1CCN(S(C)(=O)=O)C1)c1ccc(OCC(F)(F)F)cc1 ZINC000271477712 655082644 /nfs/dbraw/zinc/08/26/44/655082644.db2.gz IGMYPBBSERYMLP-CHWSQXEVSA-N 1 0 380.432 2.560 20 0 GFADRO CC(=O)Nc1cc(F)c(S(=O)(=O)NCC[N@H+]2CCCC[C@H]2C)cc1Cl ZINC000104735518 655084866 /nfs/dbraw/zinc/08/48/66/655084866.db2.gz WTHAZOYRUFGMJJ-LLVKDONJSA-N 1 0 391.896 2.590 20 0 GFADRO CC[N@@H+]1CC[C@H](CNC(=O)c2ccc(I)c(F)c2)C1 ZINC000105320617 655090505 /nfs/dbraw/zinc/09/05/05/655090505.db2.gz MMCPAXMPSYMMHY-SNVBAGLBSA-N 1 0 376.213 2.502 20 0 GFADRO C[C@@H]([NH2+]CCS(=O)(=O)C(C)(C)C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000156675756 655095053 /nfs/dbraw/zinc/09/50/53/655095053.db2.gz CTCKNJGXROLSAD-CABCVRRESA-N 1 0 376.563 2.825 20 0 GFADRO C[C@@H]([NH2+]C[C@@H](c1ccccc1Cl)N(C)C)c1cccc(S(N)(=O)=O)c1 ZINC000271854616 655096722 /nfs/dbraw/zinc/09/67/22/655096722.db2.gz MULNJVRBVYUZCI-ACJLOTCBSA-N 1 0 381.929 2.941 20 0 GFADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)Nc1cnsn1 ZINC000839110758 661072345 /nfs/dbraw/zinc/07/23/45/661072345.db2.gz ORHRIBNELPREPY-UHFFFAOYSA-N 1 0 384.303 2.896 20 0 GFADRO O=S1(=O)CC[C@]2(C1)C[C@H]([NH2+]Cc1cnc(-c3ccccc3)s1)CCO2 ZINC000271978416 655099956 /nfs/dbraw/zinc/09/99/56/655099956.db2.gz JAUNMQZTFJLQOM-CRAIPNDOSA-N 1 0 378.519 2.636 20 0 GFADRO CS[C@@H]1CN(Cc2nnc(-c3ccc(Br)o3)o2)C[C@@H]1[NH+](C)C ZINC000271989036 655100173 /nfs/dbraw/zinc/10/01/73/655100173.db2.gz GAECXAGMQQKQGJ-GXSJLCMTSA-N 1 0 387.303 2.570 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)[C@@H]1CSCN1C(=O)CC(C)(C)C)c1cccs1 ZINC000106355199 655106858 /nfs/dbraw/zinc/10/68/58/655106858.db2.gz XXBVUTTYASQJMU-KGLIPLIRSA-N 1 0 383.583 2.805 20 0 GFADRO O=S(=O)(c1c(Cl)ccnc1Cl)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000272244601 655106927 /nfs/dbraw/zinc/10/69/27/655106927.db2.gz RQDNHRSXRHJHBR-LBPRGKRZSA-N 1 0 378.325 2.885 20 0 GFADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)c3cnn(-c4ccc(Br)cc4)c3)[C@H]2C1 ZINC000272369322 655110358 /nfs/dbraw/zinc/11/03/58/655110358.db2.gz AOLPHPXPKDRQDD-DYVFJYSZSA-N 1 0 389.297 2.801 20 0 GFADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)c3csc(-c4ccsc4)n3)C2)CC1 ZINC000106806448 655111455 /nfs/dbraw/zinc/11/14/55/655111455.db2.gz HGBGYXABLUORFB-OAHLLOKOSA-N 1 0 376.551 2.724 20 0 GFADRO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)c1cnn(-c2cccc(Br)c2)c1 ZINC000106926869 655115105 /nfs/dbraw/zinc/11/51/05/655115105.db2.gz POAQLGQBOXYGJD-CYBMUJFWSA-N 1 0 389.297 2.849 20 0 GFADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)Nc3cccc(Br)c3)C2)CC1 ZINC000106937380 655115530 /nfs/dbraw/zinc/11/55/30/655115530.db2.gz FWLFAVXPOQYVQE-MRXNPFEDSA-N 1 0 381.318 2.693 20 0 GFADRO COc1ccc(CCC(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)cc1Br ZINC000272611273 655117257 /nfs/dbraw/zinc/11/72/57/655117257.db2.gz ZZNWPOAPJLPYEF-HOCLYGCPSA-N 1 0 381.314 2.943 20 0 GFADRO O=C(Nc1ccncc1Br)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000272703386 655119764 /nfs/dbraw/zinc/11/97/64/655119764.db2.gz VFQBLFCWXVRDBV-HOTGVXAUSA-N 1 0 397.317 2.734 20 0 GFADRO CS(=O)(=O)Cc1ccccc1C[NH2+]C1CCN(CCC(F)(F)F)CC1 ZINC000272818040 655122115 /nfs/dbraw/zinc/12/21/15/655122115.db2.gz GFGYDZBCVOGWHW-UHFFFAOYSA-N 1 0 378.460 2.738 20 0 GFADRO C[N@@H+](CC(=O)Nc1cccc(I)c1)C[C@@H]1CCCOC1 ZINC000107694104 655123689 /nfs/dbraw/zinc/12/36/89/655123689.db2.gz ZLIIMVRQMPNMQC-LBPRGKRZSA-N 1 0 388.249 2.588 20 0 GFADRO OC[C@@H]([NH2+]C[C@H](O)COCc1ccccc1F)c1ccc(Br)cc1 ZINC000272966659 655126744 /nfs/dbraw/zinc/12/67/44/655126744.db2.gz BLJBFZHQQIBELS-FUHWJXTLSA-N 1 0 398.272 2.789 20 0 GFADRO CC[NH+](CC)C[C@H]1CCN(C(=O)C(=O)Nc2cc(Cl)c(N)c(Cl)c2)C1 ZINC000839491402 661087001 /nfs/dbraw/zinc/08/70/01/661087001.db2.gz WHVQEGNBZZMEBS-LLVKDONJSA-N 1 0 387.311 2.704 20 0 GFADRO C[N@@H+]1CCC[C@H](CNC(=O)c2[nH]nc(-c3ccccc3)c2Br)C1 ZINC000108331024 655131288 /nfs/dbraw/zinc/13/12/88/655131288.db2.gz BZPKSAQGEPDJMH-GFCCVEGCSA-N 1 0 377.286 2.911 20 0 GFADRO C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C1 ZINC000108336725 655131381 /nfs/dbraw/zinc/13/13/81/655131381.db2.gz MWGANCIRMRVOTI-JSGCOSHPSA-N 1 0 384.307 2.804 20 0 GFADRO COCC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1ccc(SC(F)(F)F)cc1 ZINC000108400120 655132073 /nfs/dbraw/zinc/13/20/73/655132073.db2.gz YAWQJTXMVPSBEP-GFCCVEGCSA-N 1 0 398.472 2.688 20 0 GFADRO C[N@@H+]1CCC[C@H](CNC(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)C1 ZINC000108588074 655134920 /nfs/dbraw/zinc/13/49/20/655134920.db2.gz VEMSAXUJOYBRDA-CYBMUJFWSA-N 1 0 386.327 2.562 20 0 GFADRO C[C@@H](C1CC[NH+](C)CC1)N(C)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F ZINC000273387634 655141549 /nfs/dbraw/zinc/14/15/49/655141549.db2.gz CQGXKRDIZJIJRM-QMMMGPOBSA-N 1 0 386.386 2.733 20 0 GFADRO CCc1nc(C)c([C@H](C)[NH2+]C2CCN(S(=O)(=O)C(F)(F)F)CC2)s1 ZINC000168057914 655142992 /nfs/dbraw/zinc/14/29/92/655142992.db2.gz WFYIHCKCCIXQCH-VIFPVBQESA-N 1 0 385.477 2.979 20 0 GFADRO Cc1csc(=O)n1CCC(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000109564952 655148533 /nfs/dbraw/zinc/14/85/33/655148533.db2.gz PRRMOPOYICQHKP-OAHLLOKOSA-N 1 0 379.551 2.698 20 0 GFADRO CC[NH+]1CCN(CCCNC(=O)[C@@H]2C[C@@H]2c2cccc(Br)c2)CC1 ZINC000109570158 655148651 /nfs/dbraw/zinc/14/86/51/655148651.db2.gz GIBSZZOBJDIKTA-QZTJIDSGSA-N 1 0 394.357 2.696 20 0 GFADRO C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)c1cc(F)c(Cl)nc1Cl ZINC000173106315 655162985 /nfs/dbraw/zinc/16/29/85/655162985.db2.gz ZGKNZAPTTHYPTC-UHFFFAOYSA-N 1 0 385.226 2.940 20 0 GFADRO CCC[N@@H+]1CC[C@@H](CNC(=O)Nc2ccncc2I)C1 ZINC000273921670 655164495 /nfs/dbraw/zinc/16/44/95/655164495.db2.gz UYORWZXFNBQQBG-NSHDSACASA-N 1 0 388.253 2.540 20 0 GFADRO C[C@H](CNC(=O)[C@@H](C)c1ccc(Br)s1)C[NH+]1CCN(C)CC1 ZINC000173402905 655170006 /nfs/dbraw/zinc/17/00/06/655170006.db2.gz YHENRMFRMZAPNS-OLZOCXBDSA-N 1 0 388.375 2.614 20 0 GFADRO C[C@@H]([NH2+]Cc1cc2c(c(Br)c1)OCO2)C(=O)NCc1ccco1 ZINC000111398950 655172412 /nfs/dbraw/zinc/17/24/12/655172412.db2.gz POUYNXWBLZWWMO-SNVBAGLBSA-N 1 0 381.226 2.565 20 0 GFADRO Cc1cc(Br)ccc1CNC(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000111813858 655177700 /nfs/dbraw/zinc/17/77/00/655177700.db2.gz ATCCORJUJIFYAP-UHFFFAOYSA-N 1 0 397.361 2.583 20 0 GFADRO COCCOC[C@H]1CC[N@H+](CC(=O)Nc2ccc(Br)cc2C)C1 ZINC000173731257 655178031 /nfs/dbraw/zinc/17/80/31/655178031.db2.gz VPOSSHPYTMMSKS-AWEZNQCLSA-N 1 0 385.302 2.681 20 0 GFADRO COCCOC[C@@H]1CC[N@H+](CCC(=O)Nc2cccc(Br)c2)C1 ZINC000173732500 655178312 /nfs/dbraw/zinc/17/83/12/655178312.db2.gz UIVRXPJCZFVOQV-CQSZACIVSA-N 1 0 385.302 2.763 20 0 GFADRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)c2c[nH]c(=O)c(Br)c2)C1 ZINC000173752049 655179690 /nfs/dbraw/zinc/17/96/90/655179690.db2.gz VAAMESZNVXQRCO-KBPBESRZSA-N 1 0 396.329 2.864 20 0 GFADRO COCCOCCOCCC[NH2+]Cc1cc(Br)ccc1OC ZINC000274427618 655188013 /nfs/dbraw/zinc/18/80/13/655188013.db2.gz RKBIAICRJXWIMH-UHFFFAOYSA-N 1 0 376.291 2.617 20 0 GFADRO NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)c3csc(Cl)n3)cc2)C1 ZINC000274449788 655189145 /nfs/dbraw/zinc/18/91/45/655189145.db2.gz IQXUULZFCSEPQU-GFCCVEGCSA-N 1 0 378.885 2.746 20 0 GFADRO CCOC(=O)N1CC[C@@H]([NH2+][C@H](C)c2ccc(S(=O)(=O)C(F)F)cc2)C1 ZINC000274581498 655193743 /nfs/dbraw/zinc/19/37/43/655193743.db2.gz CKVTYPOPIMDOTI-DGCLKSJQSA-N 1 0 376.425 2.564 20 0 GFADRO O=C1CCCN1[C@@H]1CCC[N@@H+](C[C@H](O)c2ccc(Br)cc2)CC1 ZINC000839665453 661099046 /nfs/dbraw/zinc/09/90/46/661099046.db2.gz IAYWBTXXTPHCPB-SJORKVTESA-N 1 0 381.314 2.959 20 0 GFADRO CS[C@H]1CN(S(=O)(=O)c2cnc(Cl)c(Cl)c2)C[C@H]1[NH+]1CCCC1 ZINC000274781763 655201316 /nfs/dbraw/zinc/20/13/16/655201316.db2.gz KNQRMCIIIODNBR-OLZOCXBDSA-N 1 0 396.365 2.589 20 0 GFADRO O=S(=O)(c1ccc2ncsc2c1)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000274798079 655202386 /nfs/dbraw/zinc/20/23/86/655202386.db2.gz PPSFKGTXVQONDC-CXAGYDPISA-N 1 0 377.535 2.934 20 0 GFADRO C[NH+](C)CCN1CCC(NC(=O)Nc2ccc(F)c(Br)c2)CC1 ZINC000174427672 655202496 /nfs/dbraw/zinc/20/24/96/655202496.db2.gz ICQKCJGFYCIQPY-UHFFFAOYSA-N 1 0 387.297 2.736 20 0 GFADRO COC(=O)[C@H]1CC12CC[NH+](C[C@H](O)c1ccc(F)c(Br)c1)CC2 ZINC000274806282 655202722 /nfs/dbraw/zinc/20/27/22/655202722.db2.gz STQKIIIFJOSAOR-DOMZBBRYSA-N 1 0 386.261 2.897 20 0 GFADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)Cc1ccc(Cl)cc1Br ZINC000113172411 655204260 /nfs/dbraw/zinc/20/42/60/655204260.db2.gz JVDOJPPVEZSHNO-AWEZNQCLSA-N 1 0 389.721 2.872 20 0 GFADRO Cn1ncc(C(=O)NC[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)c1Br ZINC000274963629 655209194 /nfs/dbraw/zinc/20/91/94/655209194.db2.gz VBUCFIOSWBQDBM-INIZCTEOSA-N 1 0 391.313 2.823 20 0 GFADRO CC(C)(C)OC(=O)N1CC[C@H](CC[N@H+](CCS(C)(=O)=O)C(C)(C)C)C1 ZINC000839505572 661088553 /nfs/dbraw/zinc/08/85/53/661088553.db2.gz HMIANBGCZTVALT-OAHLLOKOSA-N 1 0 376.563 2.779 20 0 GFADRO COc1cc(C)c(Br)cc1S(=O)(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000175265616 655217090 /nfs/dbraw/zinc/21/70/90/655217090.db2.gz BSCXSRUXMWWCQR-LLVKDONJSA-N 1 0 391.331 2.527 20 0 GFADRO CN(Cc1cc(Br)cs1)C(=O)NCC1([NH+](C)C)CCOCC1 ZINC000114036924 655217359 /nfs/dbraw/zinc/21/73/59/655217359.db2.gz QUDORDAIIQAEDM-UHFFFAOYSA-N 1 0 390.347 2.763 20 0 GFADRO C[C@@H]([NH2+]CCC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1Cl)C(C)(C)C ZINC000114473919 655224851 /nfs/dbraw/zinc/22/48/51/655224851.db2.gz JJEQIAYZPXBHFL-GFCCVEGCSA-N 1 0 389.949 2.943 20 0 GFADRO COC(=O)C[C@H]([NH2+]CCC(=O)Nc1ccc(Br)cc1F)C1CC1 ZINC000839552534 661091534 /nfs/dbraw/zinc/09/15/34/661091534.db2.gz QVGMTKKYLYFWCX-AWEZNQCLSA-N 1 0 387.249 2.848 20 0 GFADRO CN(C[C@H]1CCC[N@H+](C)C1)S(=O)(=O)c1cc(Br)c(F)cc1F ZINC000115585280 655239639 /nfs/dbraw/zinc/23/96/39/655239639.db2.gz IWSBOCVQKRDPBH-JTQLQIEISA-N 1 0 397.285 2.690 20 0 GFADRO Cc1ccc(-n2nc(Br)cc2C(=O)NCC[NH+]2CCCC2)cc1 ZINC000176198536 655239711 /nfs/dbraw/zinc/23/97/11/655239711.db2.gz IPOOFVFPCVVBSD-UHFFFAOYSA-N 1 0 377.286 2.769 20 0 GFADRO CCOCCC[N@@H+]1CC[C@@H](NS(=O)(=O)c2ccc(Cl)s2)[C@H](C)C1 ZINC000115591803 655240060 /nfs/dbraw/zinc/24/00/60/655240060.db2.gz DNTZYQKKRXFZLV-CHWSQXEVSA-N 1 0 380.963 2.817 20 0 GFADRO CCOCCC[N@@H+]1CC[C@@H](NS(=O)(=O)c2ccc(F)c(Cl)c2)[C@H](C)C1 ZINC000115591865 655240196 /nfs/dbraw/zinc/24/01/96/655240196.db2.gz DGJGUYCKONPQCU-CXAGYDPISA-N 1 0 392.924 2.894 20 0 GFADRO CN(Cc1cccc(Br)c1)C(=O)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000275599088 655243488 /nfs/dbraw/zinc/24/34/88/655243488.db2.gz KTLZTMJJQDGJAY-OAHLLOKOSA-N 1 0 377.286 2.842 20 0 GFADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)Nc1cccnc1-c1ccc(Cl)s1 ZINC000275606702 655243709 /nfs/dbraw/zinc/24/37/09/655243709.db2.gz HTCOMPSZRDEHPX-GFCCVEGCSA-N 1 0 379.917 2.831 20 0 GFADRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cc(=O)[nH]c2c(Br)cccc12 ZINC000176445422 655245717 /nfs/dbraw/zinc/24/57/17/655245717.db2.gz RWOSHNPDDFYJBF-GFCCVEGCSA-N 1 0 392.297 2.895 20 0 GFADRO O=C(C[C@H]1Sc2ccc(Cl)cc2NC1=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000116195052 655245877 /nfs/dbraw/zinc/24/58/77/655245877.db2.gz SQHXWFVUGFGEMT-MRXNPFEDSA-N 1 0 379.913 2.840 20 0 GFADRO O=C(NC[C@H]1CC[N@H+](CCc2ccccc2)C1)NC[C@@H]1CSCCS1 ZINC000176491637 655247398 /nfs/dbraw/zinc/24/73/98/655247398.db2.gz YQUXODKNEMMCCD-QZTJIDSGSA-N 1 0 379.595 2.699 20 0 GFADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1CCc2cc(Cl)cc(Cl)c2C1 ZINC000176501655 655247868 /nfs/dbraw/zinc/24/78/68/655247868.db2.gz QTOAJWWVQFCMBS-CYBMUJFWSA-N 1 0 385.339 2.697 20 0 GFADRO O=C(NC[C@@H](O)c1cc(F)cc(Cl)c1)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000839748072 661104236 /nfs/dbraw/zinc/10/42/36/661104236.db2.gz WWBBXEMONXQZMV-IAGOWNOFSA-N 1 0 386.920 2.846 20 0 GFADRO COCCOC1CC[NH+](C[C@@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000116884507 655255313 /nfs/dbraw/zinc/25/53/13/655255313.db2.gz QBZSLKLLZCOMFL-CQSZACIVSA-N 1 0 378.296 2.861 20 0 GFADRO Cc1cc(S(=O)(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)sc1Br ZINC000176924490 655261590 /nfs/dbraw/zinc/26/15/90/655261590.db2.gz RAVFTTWIOAWEDB-LLVKDONJSA-N 1 0 381.361 2.781 20 0 GFADRO COc1cc(C(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cc(OC)c1Br ZINC000177035184 655265514 /nfs/dbraw/zinc/26/55/14/655265514.db2.gz WFXKBTHIXKTAGT-ZYHUDNBSSA-N 1 0 383.286 2.821 20 0 GFADRO COc1c(Cl)cc(NC(=O)C(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1Cl ZINC000276197427 655266847 /nfs/dbraw/zinc/26/68/47/655266847.db2.gz YVFFZVQZCDXADW-PWSUYJOCSA-N 1 0 388.295 2.882 20 0 GFADRO Cc1nc(-c2cccs2)sc1C(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000177126249 655269608 /nfs/dbraw/zinc/26/96/08/655269608.db2.gz OHHXHDQFDBUFJH-UHFFFAOYSA-N 1 0 378.567 2.936 20 0 GFADRO C[C@@H](Oc1ccc(Cl)c(Cl)c1)C(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000177132668 655269808 /nfs/dbraw/zinc/26/98/08/655269808.db2.gz YCWXJERFHFVPTB-CYBMUJFWSA-N 1 0 388.339 2.903 20 0 GFADRO CCN(CCC[NH+](CC)CC)C(=O)C(=O)Nc1ccc(Br)nc1C ZINC000276331106 655271423 /nfs/dbraw/zinc/27/14/23/655271423.db2.gz OYKZNZFVLGDOME-UHFFFAOYSA-N 1 0 399.333 2.671 20 0 GFADRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)c2cc(Br)c3c(c2)OCCO3)C1 ZINC000177523122 655279384 /nfs/dbraw/zinc/27/93/84/655279384.db2.gz NYORXKSTDGFALE-OLZOCXBDSA-N 1 0 383.286 2.823 20 0 GFADRO C[C@@H](CC[S@](C)=O)[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000276690219 655283912 /nfs/dbraw/zinc/28/39/12/655283912.db2.gz MRIHPUYNHWXOGL-XMHCIUCPSA-N 1 0 389.359 2.532 20 0 GFADRO C[C@@]1(C(=O)N2CCN(C(=O)c3c(Cl)cccc3Cl)CC2)CCC[NH2+]C1 ZINC000118992520 655286174 /nfs/dbraw/zinc/28/61/74/655286174.db2.gz XFEGEAFIIZCUEN-GOSISDBHSA-N 1 0 384.307 2.668 20 0 GFADRO CN(Cc1cc(Br)cs1)C(=O)C[N@@H+]1CCC[C@H]1C(C)(C)O ZINC000119021167 655286916 /nfs/dbraw/zinc/28/69/16/655286916.db2.gz YHQOMMOIBUINSP-ZDUSSCGKSA-N 1 0 375.332 2.704 20 0 GFADRO C[C@H](C[NH2+][C@@]1(CNC(=O)OC(C)(C)C)CCCC[C@H]1C)CS(C)(=O)=O ZINC000119076237 655289177 /nfs/dbraw/zinc/28/91/77/655289177.db2.gz RPUBAIYNQDKAMY-IIDMSEBBSA-N 1 0 376.563 2.730 20 0 GFADRO C[C@@H]1[C@@H](C)CC[N@@H+]1CCC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1Cl ZINC000177913948 655291127 /nfs/dbraw/zinc/29/11/27/655291127.db2.gz VYLUSNDFOOIESJ-QWHCGFSZSA-N 1 0 387.933 2.649 20 0 GFADRO C[C@@H](C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1)[N@@H+]1CC[C@@H](C)[C@H]1C ZINC000177910770 655291164 /nfs/dbraw/zinc/29/11/64/655291164.db2.gz KOZUYFGTENRBKQ-UPJWGTAASA-N 1 0 387.933 2.648 20 0 GFADRO CCOc1ccc(NC(=O)C[NH2+][C@H](C)Cn2cc(Br)cn2)cc1 ZINC000177927928 655291990 /nfs/dbraw/zinc/29/19/90/655291990.db2.gz RTMLYGOMFXCTEQ-GFCCVEGCSA-N 1 0 381.274 2.661 20 0 GFADRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2ccccc2I)C1 ZINC000119203748 655292865 /nfs/dbraw/zinc/29/28/65/655292865.db2.gz XSOAIOLUHFGEHG-IUODEOHRSA-N 1 0 384.261 2.848 20 0 GFADRO C[C@H](Cc1ccc(F)cc1)[NH2+]CC1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000178108264 655297884 /nfs/dbraw/zinc/29/78/84/655297884.db2.gz MJYKAQFEAZRPRR-GFCCVEGCSA-N 1 0 382.423 2.908 20 0 GFADRO C[NH+](C)CCN(Cc1ccco1)S(=O)(=O)c1ccccc1Br ZINC000119360333 655300695 /nfs/dbraw/zinc/30/06/95/655300695.db2.gz HQGDAQOCILZWRW-UHFFFAOYSA-N 1 0 387.299 2.795 20 0 GFADRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]CCS(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000178853657 655310236 /nfs/dbraw/zinc/31/02/36/655310236.db2.gz XYZCDSNWPVQUQB-CQSZACIVSA-N 1 0 388.917 2.713 20 0 GFADRO CC(C)(C)OC(=O)NC[C@H]1CCCC[C@H]1[NH2+]CCS(=O)(=O)C(C)(C)C ZINC000180891528 655331149 /nfs/dbraw/zinc/33/11/49/655331149.db2.gz WZDHNOROFCTISD-HUUCEWRRSA-N 1 0 376.563 2.873 20 0 GFADRO Cc1nc(Br)ccc1NC(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000181318730 655335275 /nfs/dbraw/zinc/33/52/75/655335275.db2.gz HWRODFQGHXLFQI-TXEJJXNPSA-N 1 0 385.306 2.773 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000120454016 655336414 /nfs/dbraw/zinc/33/64/14/655336414.db2.gz CGJFINYOJXFKLX-TZMCWYRMSA-N 1 0 382.302 2.637 20 0 GFADRO COc1ccc(C(=O)N2CC[NH+](C3CCCCC3)CC2)nc1Br ZINC000181408907 655337116 /nfs/dbraw/zinc/33/71/16/655337116.db2.gz WFGYQIMSPBFPQM-UHFFFAOYSA-N 1 0 382.302 2.943 20 0 GFADRO O=S(=O)(C(F)F)N1CCC(C[NH2+][C@@H](c2cncc(F)c2)C2CC2)CC1 ZINC000281826268 655338353 /nfs/dbraw/zinc/33/83/53/655338353.db2.gz ZZYTXYSICPBVFV-OAHLLOKOSA-N 1 0 377.432 2.526 20 0 GFADRO C[C@@H](NC(=O)N[C@H]1COc2cc(F)c(Br)cc21)C1=CC[N@H+](C)CC1 ZINC000281868475 655339469 /nfs/dbraw/zinc/33/94/69/655339469.db2.gz KTUBZMXWAZZAQC-BMIGLBTASA-N 1 0 398.276 2.971 20 0 GFADRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1ccc(F)cc1I ZINC000120592521 655340045 /nfs/dbraw/zinc/34/00/45/655340045.db2.gz LROXFPDTQSHFPH-YGRLFVJLSA-N 1 0 390.240 2.843 20 0 GFADRO COCC[N@H+](C)CCCNC(=O)N[C@H](C)Cc1cccc(Br)c1 ZINC000120843180 655345136 /nfs/dbraw/zinc/34/51/36/655345136.db2.gz CMVMZKPYGNMMQF-CQSZACIVSA-N 1 0 386.334 2.648 20 0 GFADRO COc1ccc(C[NH2+]CCNC(=O)c2ccc(Br)cc2)cc1OC ZINC000121149898 655348153 /nfs/dbraw/zinc/34/81/53/655348153.db2.gz GQCCXLSQFFOLPC-UHFFFAOYSA-N 1 0 393.281 2.986 20 0 GFADRO Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000289409614 655348388 /nfs/dbraw/zinc/34/83/88/655348388.db2.gz ADADFCXGOXIOMQ-UHFFFAOYSA-N 1 0 378.826 2.854 20 0 GFADRO Cc1cc(C[C@H](C)[NH2+]Cc2cn(-c3ccccc3Br)nn2)[nH]n1 ZINC000289420199 655348644 /nfs/dbraw/zinc/34/86/44/655348644.db2.gz CKBOLUCVEKSGBY-NSHDSACASA-N 1 0 375.274 2.782 20 0 GFADRO C[C@H]1C[C@@H](C(=O)NCc2cc(Br)c3c(c2)OCCO3)CC[N@@H+]1C ZINC000290581691 655349842 /nfs/dbraw/zinc/34/98/42/655349842.db2.gz FXUVTDSRHLMWNJ-AAEUAGOBSA-N 1 0 383.286 2.567 20 0 GFADRO CCCN(CC[NH+](CC)CC)C(=O)C(=O)Nc1ccc(C)nc1Br ZINC000121725502 655350714 /nfs/dbraw/zinc/35/07/14/655350714.db2.gz PNOVGUZMQIYYFH-UHFFFAOYSA-N 1 0 399.333 2.671 20 0 GFADRO COc1cc(/C=C/C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)cc(Br)c1O ZINC000183454759 655351524 /nfs/dbraw/zinc/35/15/24/655351524.db2.gz RUPGYDKPBBTUPP-NDRDAGNVSA-N 1 0 395.297 2.777 20 0 GFADRO OCC1([C@H]([NH2+]Cc2nc3ccccn3c2Br)C2CC2)CCOCC1 ZINC000293971653 655363577 /nfs/dbraw/zinc/36/35/77/655363577.db2.gz KDBFMPKFUBNIBW-MRXNPFEDSA-N 1 0 394.313 2.754 20 0 GFADRO C[C@@H]1[C@H]([NH3+])CCCN1C(=O)CCC[S@@](=O)c1ccc(Br)cc1 ZINC000297313272 655369594 /nfs/dbraw/zinc/36/95/94/655369594.db2.gz GCQSRCXEJJWJPH-AVKZDSLQSA-N 1 0 387.343 2.675 20 0 GFADRO O=C(NCC1CC1)[C@H]1CCC[N@@H+](C[C@H](O)c2ccc(F)c(Br)c2)C1 ZINC000186673878 655370848 /nfs/dbraw/zinc/37/08/48/655370848.db2.gz TXPVTUBYTWVFGA-YOEHRIQHSA-N 1 0 399.304 2.860 20 0 GFADRO CCCNC(=O)[C@H]1CCC[N@H+](C[C@H](O)c2ccc(F)c(Br)c2)C1 ZINC000186895862 655371778 /nfs/dbraw/zinc/37/17/78/655371778.db2.gz KZICMWHRKKOEPS-BBRMVZONSA-N 1 0 387.293 2.860 20 0 GFADRO CCC[N@@H+]1CC[C@H](CNC(=O)N(C)C[C@@H](O)c2cccc(Br)c2)C1 ZINC000299090618 655374378 /nfs/dbraw/zinc/37/43/78/655374378.db2.gz WDAKBBCWVUOIJI-RHSMWYFYSA-N 1 0 398.345 2.856 20 0 GFADRO C[C@](O)(CC[NH2+][C@@H](C(N)=O)c1ccc(Br)cc1)c1ccccc1 ZINC000187668720 655375992 /nfs/dbraw/zinc/37/59/92/655375992.db2.gz ZTDNQYJCRYRAKS-AEFFLSMTSA-N 1 0 377.282 2.863 20 0 GFADRO Cc1nc(Cl)ccc1S(=O)(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000310975492 655379228 /nfs/dbraw/zinc/37/92/28/655379228.db2.gz FAKRVCCTADYEBN-MRXNPFEDSA-N 1 0 379.913 2.844 20 0 GFADRO Ic1cccc(C[NH2+]CCc2nnc3ccccn32)c1 ZINC000312720861 655379905 /nfs/dbraw/zinc/37/99/05/655379905.db2.gz FMGOFWMGWDSKTF-UHFFFAOYSA-N 1 0 378.217 2.666 20 0 GFADRO CC(C)[N@H+](C)C[C@H](C)NS(=O)(=O)c1cc(Br)cnc1Cl ZINC000312976659 655379954 /nfs/dbraw/zinc/37/99/54/655379954.db2.gz VWKRSDOHRQFNSA-VIFPVBQESA-N 1 0 384.727 2.505 20 0 GFADRO CC(C)[NH+]1CCC(N(C)S(=O)(=O)c2c(Cl)nc3sccn32)CC1 ZINC000321282579 655382637 /nfs/dbraw/zinc/38/26/37/655382637.db2.gz IRDAZAYTJFYADS-UHFFFAOYSA-N 1 0 376.935 2.543 20 0 GFADRO CC(C)[NH2+]Cc1cn(Cc2nnc(-c3ccccc3Br)o2)nn1 ZINC000321520630 655382789 /nfs/dbraw/zinc/38/27/89/655382789.db2.gz ODEYEIKNAQCUFQ-UHFFFAOYSA-N 1 0 377.246 2.637 20 0 GFADRO CC(C)[N@H+](C)CC1CCN(S(=O)(=O)c2c(Cl)nc3sccn32)CC1 ZINC000324721032 655384225 /nfs/dbraw/zinc/38/42/25/655384225.db2.gz DOEIBMUSZHEPMC-UHFFFAOYSA-N 1 0 390.962 2.790 20 0 GFADRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N(C)CC2([NH+](C)C)CCC2)c1 ZINC000189127549 655384767 /nfs/dbraw/zinc/38/47/67/655384767.db2.gz DAHHTKKBQXFALL-UHFFFAOYSA-N 1 0 375.878 2.661 20 0 GFADRO O=S(=O)(c1csc(-c2ccc(Cl)cc2)n1)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000333679493 655388040 /nfs/dbraw/zinc/38/80/40/655388040.db2.gz OPACWENVBQQIJE-INIZCTEOSA-N 1 0 383.926 2.980 20 0 GFADRO O=C1CN(Cc2cccc(Br)c2)C(=O)N1[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000349237881 655388669 /nfs/dbraw/zinc/38/86/69/655388669.db2.gz NJROJSLXASRKSC-CVEARBPZSA-N 1 0 392.297 2.840 20 0 GFADRO CCn1cc(S(=O)(=O)NC[C@@H]2CC[N@H+](C)[C@H]2c2cccc(Cl)c2)cn1 ZINC000363218244 655391687 /nfs/dbraw/zinc/39/16/87/655391687.db2.gz GUINNWIFNWSIGH-YOEHRIQHSA-N 1 0 382.917 2.528 20 0 GFADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)Nc1cc(F)cc(F)c1Br ZINC000190647245 655393947 /nfs/dbraw/zinc/39/39/47/655393947.db2.gz IVNAXIGBQRFTIP-LLVKDONJSA-N 1 0 392.244 2.960 20 0 GFADRO Cc1nc(-c2ccc(S(=O)(=O)N3C[C@@H]4CCC[C@H]([NH3+])[C@@H]4C3)s2)cs1 ZINC000365698788 655395027 /nfs/dbraw/zinc/39/50/27/655395027.db2.gz BGIREGWHHFMGGC-XQQFMLRXSA-N 1 0 383.564 2.928 20 0 GFADRO C[C@@H](NCC(=O)N(C)Cc1ccc(Cl)c(Cl)c1)c1nnnn1C1CC1 ZINC000191500949 655398971 /nfs/dbraw/zinc/39/89/71/655398971.db2.gz BTDKEAYMOLCYRD-SNVBAGLBSA-N 1 0 383.283 2.624 20 0 GFADRO C[NH+](C)C1CCN(C(=O)c2nc(Br)ccc2Br)CC1 ZINC000191514487 655399176 /nfs/dbraw/zinc/39/91/76/655399176.db2.gz LXFVFVMGWYSMAL-UHFFFAOYSA-N 1 0 391.107 2.773 20 0 GFADRO COCC[N@@H+]1CCC[C@H](NC(=O)c2c(F)cc(Br)cc2F)C1 ZINC000398939258 655402556 /nfs/dbraw/zinc/40/25/56/655402556.db2.gz WYPWEXRCYUMXCA-NSHDSACASA-N 1 0 377.229 2.568 20 0 GFADRO Cc1cccc(CN(CC[NH+](C)C)C(=O)c2cc(Br)nn2C)c1 ZINC000192274360 655404135 /nfs/dbraw/zinc/40/41/35/655404135.db2.gz VIDGDUPLCBDLKD-UHFFFAOYSA-N 1 0 379.302 2.695 20 0 GFADRO COCCN(Cc1sccc1Br)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000418337109 655405612 /nfs/dbraw/zinc/40/56/12/655405612.db2.gz JJAHTZXEPDYDCV-LBPRGKRZSA-N 1 0 390.347 2.668 20 0 GFADRO [NH3+]C[C@@H](NC(=O)N[C@@H](CO)c1cccc(Br)c1)C1CCCCC1 ZINC000418355472 655405826 /nfs/dbraw/zinc/40/58/26/655405826.db2.gz FQTANEKQNVRHIO-CVEARBPZSA-N 1 0 384.318 2.689 20 0 GFADRO CCOC(=O)COc1c(Br)cc(C)cc1C[NH2+][C@@H](CC)[C@H](C)O ZINC000449546753 655410112 /nfs/dbraw/zinc/41/01/12/655410112.db2.gz WICRBJLILRXAJG-WFASDCNBSA-N 1 0 388.302 2.948 20 0 GFADRO COc1ccc(Br)cc1C[C@H](CO)C[NH2+][C@@H]1CCCc2n[nH]cc21 ZINC000453386409 655411643 /nfs/dbraw/zinc/41/16/43/655411643.db2.gz VBJKHVXWLCNSPY-BLLLJJGKSA-N 1 0 394.313 2.999 20 0 GFADRO Cc1ccc(F)c(Br)c1NC(=O)C(=O)N[C@@H](C)C1=CC[N@H+](C)CC1 ZINC000453720953 655412498 /nfs/dbraw/zinc/41/24/98/655412498.db2.gz AJZNACBKADPGRM-NSHDSACASA-N 1 0 398.276 2.602 20 0 GFADRO COC(=O)c1c2cnn(C[N@H+]3CC[C@@H](OC)[C@@H](C)C3)c2ccc1Br ZINC000840127889 661137863 /nfs/dbraw/zinc/13/78/63/661137863.db2.gz ZLTHMRNFEGMGFA-XHDPSFHLSA-N 1 0 396.285 2.900 20 0 GFADRO OCC1([NH2+]Cc2cc(Br)c(Br)s2)CCOCC1 ZINC000230729557 655423594 /nfs/dbraw/zinc/42/35/94/655423594.db2.gz LQBDDHVXBDQDOA-UHFFFAOYSA-N 1 0 385.121 2.904 20 0 GFADRO CCCC[C@@H](C[NH3+])NC(=O)c1ccc(Cl)c(S(=O)(=O)N(CC)CC)c1 ZINC000236868040 655425130 /nfs/dbraw/zinc/42/51/30/655425130.db2.gz BPSXNEXSGFZJDG-AWEZNQCLSA-N 1 0 389.949 2.618 20 0 GFADRO COC(=O)c1cc(S(=O)(=O)N[C@@H]2CCCC[C@H]2C[NH3+])c(Cl)cc1Cl ZINC000237205151 655425829 /nfs/dbraw/zinc/42/58/29/655425829.db2.gz GDENUOKXJPRDCJ-TVQRCGJNSA-N 1 0 395.308 2.576 20 0 GFADRO CC(C)CN(Cc1ccccc1Br)C(=O)C(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000574204492 655426366 /nfs/dbraw/zinc/42/63/66/655426366.db2.gz IQASIBUTAVTMCG-KBPBESRZSA-N 1 0 398.345 2.676 20 0 GFADRO [NH3+][C@@H]1CCC[C@H](CNS(=O)(=O)c2ccc(Cl)cc2Br)C1 ZINC000574202587 655426373 /nfs/dbraw/zinc/42/63/73/655426373.db2.gz NKQLWOQKNSUKPN-GXSJLCMTSA-N 1 0 381.723 2.898 20 0 GFADRO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000237802761 655426485 /nfs/dbraw/zinc/42/64/85/655426485.db2.gz AFNLXHCTMAWJJW-LBPRGKRZSA-N 1 0 379.254 2.736 20 0 GFADRO [NH3+]CCCOC1CCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000237825978 655426696 /nfs/dbraw/zinc/42/66/96/655426696.db2.gz VNYXBMRDRLJMCV-UHFFFAOYSA-N 1 0 381.325 2.653 20 0 GFADRO CC(C)C(=O)NC[C@H]1CCC[N@H+](C[C@@H](O)c2cccc(Br)c2)C1 ZINC000245390009 655427475 /nfs/dbraw/zinc/42/74/75/655427475.db2.gz KHUNJBVBIDHCAP-RHSMWYFYSA-N 1 0 383.330 2.967 20 0 GFADRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2ccnc(Br)c2)[C@@H](C)C1 ZINC000246091795 655428984 /nfs/dbraw/zinc/42/89/84/655428984.db2.gz JYFYAYBIUCYIMK-DZGCQCFKSA-N 1 0 384.318 2.711 20 0 GFADRO C[C@@H]1C[C@H]([NH3+])CCN1C(=O)c1cc(I)ccc1Cl ZINC000574377315 655430038 /nfs/dbraw/zinc/43/00/38/655430038.db2.gz QDROOEIBVULNPP-PSASIEDQSA-N 1 0 378.641 2.896 20 0 GFADRO CC(C)([NH3+])c1nocc1C(=O)N1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000574822539 655431470 /nfs/dbraw/zinc/43/14/70/655431470.db2.gz KCDKLCZHYFZXNK-AWEZNQCLSA-N 1 0 394.269 2.845 20 0 GFADRO C[NH+](C)CCn1nccc1NC(=O)Cc1c(F)ccc(Br)c1F ZINC000574836983 655431840 /nfs/dbraw/zinc/43/18/40/655431840.db2.gz SGBYXSACVZJABV-UHFFFAOYSA-N 1 0 387.228 2.667 20 0 GFADRO CCS(=O)(=O)c1ccc(C[NH2+]C[C@H](O)COc2ccc(Cl)cc2)cc1 ZINC000574868923 655432395 /nfs/dbraw/zinc/43/23/95/655432395.db2.gz DRZYVXZZYLCKHV-INIZCTEOSA-N 1 0 383.897 2.663 20 0 GFADRO CCOC(=O)N[C@H]1CCC[N@H+](C[C@@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000248758577 655433179 /nfs/dbraw/zinc/43/31/79/655433179.db2.gz KWIFFCMIJAMYOH-UONOGXRCSA-N 1 0 391.295 2.944 20 0 GFADRO C[NH2+][C@@H](CC(C)(C)C)C(=O)NCCCNC(=O)c1cccc(Br)c1 ZINC000574985383 655433985 /nfs/dbraw/zinc/43/39/85/655433985.db2.gz UTUBLIDIOHZHCC-HNNXBMFYSA-N 1 0 398.345 2.709 20 0 GFADRO Cc1cc(Br)cn2cc(CNC(=O)N[C@H](C)[C@H]3CCC[NH2+]C3)nc12 ZINC000575108634 655435796 /nfs/dbraw/zinc/43/57/96/655435796.db2.gz WKYDZPKXLGOBQZ-OLZOCXBDSA-N 1 0 394.317 2.593 20 0 GFADRO CC[C@@H](C)[N@H+](C)CCNC(=O)/C=C\c1ccc(I)o1 ZINC000255332332 655438335 /nfs/dbraw/zinc/43/83/35/655438335.db2.gz QHDADHWSSWFMJO-BPOWMSRESA-N 1 0 376.238 2.744 20 0 GFADRO Cc1cc(C(=O)NC[C@H]2C[NH2+]CCCO2)nn1-c1ccc(Cl)cc1Cl ZINC000575860199 655438566 /nfs/dbraw/zinc/43/85/66/655438566.db2.gz XCUKMBRCYXPMJT-CYBMUJFWSA-N 1 0 383.279 2.596 20 0 GFADRO O=C1c2ccccc2C(=O)N1C[C@H](O)C[NH2+][C@H]1CCc2sc(Cl)cc21 ZINC000575862511 655438580 /nfs/dbraw/zinc/43/85/80/655438580.db2.gz AFZIGJQNMJZCIZ-YGRLFVJLSA-N 1 0 376.865 2.636 20 0 GFADRO C[C@@H](Cc1ccccc1Br)NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC000575933041 655440267 /nfs/dbraw/zinc/44/02/67/655440267.db2.gz ANFYDHTZRGAJTH-ZDUSSCGKSA-N 1 0 379.302 2.568 20 0 GFADRO CN(C)S(=O)(=O)N1CCC[N@H+](Cc2ccc(-c3ccsc3)cc2)CC1 ZINC000575958230 655440736 /nfs/dbraw/zinc/44/07/36/655440736.db2.gz GKACPRXXKHXDFW-UHFFFAOYSA-N 1 0 379.551 2.729 20 0 GFADRO C[C@@H]1CCN(S(=O)(=O)c2ccc(Cl)c(Br)c2)C[C@H]1C[NH3+] ZINC000261648659 655441598 /nfs/dbraw/zinc/44/15/98/655441598.db2.gz PSRHONVSCRDNCR-NXEZZACHSA-N 1 0 381.723 2.708 20 0 GFADRO O=C(CCSc1ccccc1Cl)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000262095761 655443852 /nfs/dbraw/zinc/44/38/52/655443852.db2.gz URXATUYWKMQSIC-CQSZACIVSA-N 1 0 395.878 2.775 20 0 GFADRO C[C@H](C[C@H](C)[NH3+])NC(=O)CCC[S@](=O)c1ccc(Br)cc1 ZINC000576169861 655444994 /nfs/dbraw/zinc/44/49/94/655444994.db2.gz UWXPEFDDHAYKOT-DCVWQXJKSA-N 1 0 375.332 2.579 20 0 GFADRO COCCN(Cc1ccc(Br)s1)C(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000576701713 655451131 /nfs/dbraw/zinc/45/11/31/655451131.db2.gz HSWMOQCZATUWIS-GHMZBOCLSA-N 1 0 378.336 2.794 20 0 GFADRO CS[C@H]1CN(C(=O)c2ncsc2Br)C[C@H]1[NH+]1CCCC1 ZINC000576838949 655452833 /nfs/dbraw/zinc/45/28/33/655452833.db2.gz YCCUXBAENUCGFD-ZJUUUORDSA-N 1 0 376.345 2.557 20 0 GFADRO CC[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000576870442 655453503 /nfs/dbraw/zinc/45/35/03/655453503.db2.gz XFDWFFKHHPRXLN-ZBFHGGJFSA-N 1 0 384.307 2.666 20 0 GFADRO CN(CC1(c2ccc(Br)cc2)CC1)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000577368183 655457827 /nfs/dbraw/zinc/45/78/27/655457827.db2.gz FTYDDWXYAOARGF-INIZCTEOSA-N 1 0 396.329 2.501 20 0 GFADRO O=C(COc1cccc(Br)c1)NCC1([NH+]2CCCC2)CCOCC1 ZINC000264211176 655458953 /nfs/dbraw/zinc/45/89/53/655458953.db2.gz TYECKWFUMGMUDD-UHFFFAOYSA-N 1 0 397.313 2.589 20 0 GFADRO COc1ccc(I)c(NC(=O)NC[C@@H]2CCC[N@@H+]2C)c1 ZINC000264244608 655459511 /nfs/dbraw/zinc/45/95/11/655459511.db2.gz NUQMYRJMEGRIMS-JTQLQIEISA-N 1 0 389.237 2.516 20 0 GFADRO CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000577486494 655460880 /nfs/dbraw/zinc/46/08/80/655460880.db2.gz ZIQKYGCUHSBREX-QEWYBTABSA-N 1 0 396.329 2.776 20 0 GFADRO C[N@@H+]1CC[C@@H]2CCN(c3ncnc4cccc(I)c43)[C@@H]2C1 ZINC000577670964 655464278 /nfs/dbraw/zinc/46/42/78/655464278.db2.gz JPEQAVPFMSNOCL-BXUZGUMPSA-N 1 0 394.260 2.765 20 0 GFADRO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)c2ccc(Br)s2)CC1 ZINC000264502348 655465059 /nfs/dbraw/zinc/46/50/59/655465059.db2.gz IPRRAXZAABDJMV-ZDUSSCGKSA-N 1 0 386.359 2.753 20 0 GFADRO COCC[N@@H+]1CC[C@@H](NC(=O)Cc2csc(-c3ccc(Cl)cc3)n2)C1 ZINC000264598221 655466733 /nfs/dbraw/zinc/46/67/33/655466733.db2.gz XGXAWVUPVWSPQE-OAHLLOKOSA-N 1 0 379.913 2.843 20 0 GFADRO C[N@@H+]1CCCC[C@H]1CN1CCN(C[C@@H](O)c2ccc(Br)cc2)CC1 ZINC000264602919 655466948 /nfs/dbraw/zinc/46/69/48/655466948.db2.gz KLXWNKLILVOMEE-RBUKOAKNSA-N 1 0 396.373 2.584 20 0 GFADRO CN(C)CC[N@H+](C)CCCN(C)C(=O)c1c[nH]nc1-c1ccc(Cl)s1 ZINC000577789945 655467163 /nfs/dbraw/zinc/46/71/63/655467163.db2.gz PKUBPAWEGNOLED-UHFFFAOYSA-N 1 0 383.949 2.747 20 0 GFADRO C[C@H]1CC[N@H+](CC(=O)NC2(c3cccc(Br)c3)CCOCC2)C1 ZINC000577960987 655470294 /nfs/dbraw/zinc/47/02/94/655470294.db2.gz GHJZDOOESWAJAQ-AWEZNQCLSA-N 1 0 381.314 2.913 20 0 GFADRO CCn1c(SCC(=O)N2CC[C@H](C[NH+](C)C)C2)nnc1-c1cccs1 ZINC000265012571 655475974 /nfs/dbraw/zinc/47/59/74/655475974.db2.gz QVYQOMFNIKISCO-CYBMUJFWSA-N 1 0 379.555 2.529 20 0 GFADRO C[C@@H](CNC(=O)c1cc(Cl)ccc1Br)C[NH+]1CCN(C)CC1 ZINC000265155080 655478342 /nfs/dbraw/zinc/47/83/42/655478342.db2.gz ZXXHYXNPWKUNHB-LBPRGKRZSA-N 1 0 388.737 2.716 20 0 GFADRO Cn1ncc2c1CCC[N@H+](CCC(=O)Nc1ccccc1Br)C2 ZINC000578497129 655480428 /nfs/dbraw/zinc/48/04/28/655480428.db2.gz KCVFGGJABUFRLS-UHFFFAOYSA-N 1 0 377.286 2.960 20 0 GFADRO CCOC(=O)COc1c(Br)cc(C)cc1CN(C)C1CC([NH3+])C1 ZINC000578532159 655481235 /nfs/dbraw/zinc/48/12/35/655481235.db2.gz DTYNTOZTHIPPRS-UHFFFAOYSA-N 1 0 385.302 2.621 20 0 GFADRO C[NH+]1CCN(c2ccc(Br)cc2NC(=O)CC2CCOCC2)CC1 ZINC000265376801 655482373 /nfs/dbraw/zinc/48/23/73/655482373.db2.gz ZAWGLAXYEBOTPR-UHFFFAOYSA-N 1 0 396.329 2.956 20 0 GFADRO Cc1ncsc1CCS(=O)(=O)NCC[NH+]1CCC2(CCCCC2)CC1 ZINC000578604660 655482549 /nfs/dbraw/zinc/48/25/49/655482549.db2.gz DNRBHQOFIUNUHQ-UHFFFAOYSA-N 1 0 385.599 2.960 20 0 GFADRO CCc1ccc(-c2csc(NC(=O)C(=O)N[C@H](C)CC[NH+](C)C)n2)s1 ZINC000578633182 655483581 /nfs/dbraw/zinc/48/35/81/655483581.db2.gz FXCQOWBNDNOVQB-LLVKDONJSA-N 1 0 380.539 2.829 20 0 GFADRO Cc1ncc2c(n1)CC[C@H]([NH2+]C[C@H](O)COc1cc(Cl)ccc1Cl)C2 ZINC000578759096 655486467 /nfs/dbraw/zinc/48/64/67/655486467.db2.gz PDNNDBYDGVLHPT-GJZGRUSLSA-N 1 0 382.291 2.979 20 0 GFADRO C[C@@H]1[C@H](C)[S@@](=O)CCN1C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000265629571 655487482 /nfs/dbraw/zinc/48/74/82/655487482.db2.gz RNURCNTVCRYAIL-XESHVACXSA-N 1 0 383.583 2.511 20 0 GFADRO CO[C@@H]1C[NH2+][C@@H](C(=O)NCC2(c3ccc(Cl)cc3Cl)CCOCC2)C1 ZINC000578886412 655488594 /nfs/dbraw/zinc/48/85/94/655488594.db2.gz OEKPRQZOWPQIAB-XJKSGUPXSA-N 1 0 387.307 2.535 20 0 GFADRO COc1cc(Br)c(C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)cc1OC ZINC000578961255 655490206 /nfs/dbraw/zinc/49/02/06/655490206.db2.gz MMJJGOSSRUCESU-GFCCVEGCSA-N 1 0 383.286 2.777 20 0 GFADRO Cc1ccc(Cl)c(S(=O)(=O)N(C)CCCN2CC[NH+](C)CC2)c1Cl ZINC000265844021 655491757 /nfs/dbraw/zinc/49/17/57/655491757.db2.gz HCMMMYQDDAFLHP-UHFFFAOYSA-N 1 0 394.368 2.560 20 0 GFADRO COC[C@]1(CNC(=O)N2CCSC[C@H]2c2ccc(Cl)cc2)CCC[NH2+]1 ZINC000579091016 655493723 /nfs/dbraw/zinc/49/37/23/655493723.db2.gz DIDSWRKMARTAPN-FUHWJXTLSA-N 1 0 383.945 2.908 20 0 GFADRO Cc1cccc(I)c1C(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000579110707 655494090 /nfs/dbraw/zinc/49/40/90/655494090.db2.gz YTHFPBSAILXIKS-MRXNPFEDSA-N 1 0 384.261 2.815 20 0 GFADRO CN(C(=O)c1cnnn1-c1c(Cl)cccc1Cl)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000579302570 655497428 /nfs/dbraw/zinc/49/74/28/655497428.db2.gz HXGRGDZHTWPQNS-LBPRGKRZSA-N 1 0 380.279 2.883 20 0 GFADRO CC[NH+](CC)CCN(C(=O)[C@@H](C)n1cccn1)c1ccc(Br)cn1 ZINC000579360845 655498371 /nfs/dbraw/zinc/49/83/71/655498371.db2.gz JDNBQTBSQCNQIK-CQSZACIVSA-N 1 0 394.317 2.977 20 0 GFADRO O[C@@H]1C[C@@H]([C@H]2CCCOC2)[N@H+](Cc2nc3ccc(Br)cc3o2)C1 ZINC000579798637 655504230 /nfs/dbraw/zinc/50/42/30/655504230.db2.gz ZPAMPZVFMHKFRH-LNSITVRQSA-N 1 0 381.270 2.952 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)N1CCC(CC[NH3+])CC1 ZINC000579844113 655504778 /nfs/dbraw/zinc/50/47/78/655504778.db2.gz JENXJGLYOKPYKD-UHFFFAOYSA-N 1 0 382.302 2.592 20 0 GFADRO [NH3+]CC[C@@H](NC(=O)c1csc(Nc2cc(F)cc(F)c2)n1)C(F)(F)F ZINC000579950719 655506002 /nfs/dbraw/zinc/50/60/02/655506002.db2.gz QBYBVGZPJYTFTG-LLVKDONJSA-N 1 0 380.342 2.596 20 0 GFADRO [NH3+]CC[C@@H](NC(=O)CCOc1ccc(Cl)cc1Br)C(F)F ZINC000580193996 655509888 /nfs/dbraw/zinc/50/98/88/655509888.db2.gz KOCYMRDOOFSWLJ-SNVBAGLBSA-N 1 0 385.636 2.970 20 0 GFADRO C[NH+](C)C[C@H](NC(=O)[C@H]1CS[C@@]2(C)CCC(=O)N12)c1ccc(Cl)cc1 ZINC000580200533 655510074 /nfs/dbraw/zinc/51/00/74/655510074.db2.gz XHIXLEQDXSDCRD-DAYGRLMNSA-N 1 0 381.929 2.513 20 0 GFADRO COCC[N@@H+]1CCCN(c2ncc(Br)c(OC(C)(C)C)n2)CC1 ZINC000580205504 655510166 /nfs/dbraw/zinc/51/01/66/655510166.db2.gz MMDXCRGWXGWIOX-UHFFFAOYSA-N 1 0 387.322 2.575 20 0 GFADRO CO[C@]1(C)C[C@H]([NH2+]Cc2cc(=O)n3cc(Br)ccc3n2)C1(C)C ZINC000580278361 655510776 /nfs/dbraw/zinc/51/07/76/655510776.db2.gz XIJYOYLRSIGDIJ-SUMWQHHRSA-N 1 0 380.286 2.750 20 0 GFADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)c1cnn(C)c1Br ZINC000708775512 655522340 /nfs/dbraw/zinc/52/23/40/655522340.db2.gz XGTSPTPWBVIAKX-UKRRQHHQSA-N 1 0 391.313 2.681 20 0 GFADRO CO[C@@](C)(C[NH2+]Cc1cn(C)nc1Br)COCc1ccccc1 ZINC000712479796 655522654 /nfs/dbraw/zinc/52/26/54/655522654.db2.gz NCOLJOOIHILYEZ-KRWDZBQOSA-N 1 0 382.302 2.894 20 0 GFADRO Cn1cc(C[NH2+][C@](C)(CNC(=O)OC(C)(C)C)C2CC2)c(Br)n1 ZINC000712458813 655522715 /nfs/dbraw/zinc/52/27/15/655522715.db2.gz IUFPAUQLPPJEND-MRXNPFEDSA-N 1 0 387.322 2.966 20 0 GFADRO C[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1cnn(C)c1Br ZINC000716184653 655523460 /nfs/dbraw/zinc/52/34/60/655523460.db2.gz QJGAQBFIGZFBML-BBRMVZONSA-N 1 0 391.313 2.823 20 0 GFADRO CS(=O)(=O)N1CCC([NH2+]Cc2cccc(Cl)c2Br)CC1 ZINC000719413936 655524392 /nfs/dbraw/zinc/52/43/92/655524392.db2.gz GOEYLTPIKYTJBL-UHFFFAOYSA-N 1 0 381.723 2.616 20 0 GFADRO C[C@@H]1C[NH2+]C[C@H]1CCNS(=O)(=O)c1c(Cl)cccc1Br ZINC000721035770 655524824 /nfs/dbraw/zinc/52/48/24/655524824.db2.gz HJJUROGJAHSVIF-NXEZZACHSA-N 1 0 381.723 2.626 20 0 GFADRO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)c1ccc(F)cc1I ZINC000720824484 655524848 /nfs/dbraw/zinc/52/48/48/655524848.db2.gz IIDPJXMGPZPLCC-ZIAGYGMSSA-N 1 0 388.224 2.739 20 0 GFADRO Cc1sccc1C[NH2+]CC[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O ZINC000721754816 655525279 /nfs/dbraw/zinc/52/52/79/655525279.db2.gz UCNBBYBEGJJIOB-OAHLLOKOSA-N 1 0 388.555 2.570 20 0 GFADRO O=C(C[N@@H+]1CCC[C@@H](C2OCCO2)C1)NCCc1cccc(Cl)c1Cl ZINC000728053833 655552157 /nfs/dbraw/zinc/55/21/57/655552157.db2.gz TZJIDGGHRSUNJQ-CQSZACIVSA-N 1 0 387.307 2.737 20 0 GFADRO CCC[N@@H+]1CCC[C@H]1CNC(=O)N(C)C[C@H](O)c1cccc(Br)c1 ZINC000840373204 661158335 /nfs/dbraw/zinc/15/83/35/661158335.db2.gz UPZGJXUCYJGYIC-IRXDYDNUSA-N 1 0 398.345 2.998 20 0 GFADRO O[C@H](COc1cc(Cl)ccc1Cl)C[N@@H+]1CCCC[C@@H]1C1OCCO1 ZINC000728172324 655553569 /nfs/dbraw/zinc/55/35/69/655553569.db2.gz CKIGBZBTNKVYOE-DZGCQCFKSA-N 1 0 376.280 2.961 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CNC(=S)NNc1ccc(Br)cc1F ZINC000728447474 655555676 /nfs/dbraw/zinc/55/56/76/655555676.db2.gz DMORVZZWENWUTF-LLVKDONJSA-N 1 0 375.311 2.864 20 0 GFADRO C[C@@H](CNS(=O)(=O)c1c(Cl)nc2sccn21)[N@@H+]1CCCC[C@@H]1C ZINC000728580533 655556895 /nfs/dbraw/zinc/55/68/95/655556895.db2.gz HYIULUWVWZCZTM-QWRGUYRKSA-N 1 0 376.935 2.590 20 0 GFADRO Cc1csc([C@@](O)(CC(=O)N2CCC[C@H]([NH2+]C(C)C)C2)C(F)(F)F)n1 ZINC000728604954 655557674 /nfs/dbraw/zinc/55/76/74/655557674.db2.gz LWUWFHXILPLWLA-WFASDCNBSA-N 1 0 379.448 2.581 20 0 GFADRO C[NH+]1CCC(NC(=S)Nc2ccc(OCC(F)(F)C(F)F)nc2)CC1 ZINC000729158997 655562654 /nfs/dbraw/zinc/56/26/54/655562654.db2.gz DSIUOCCTHJIECW-UHFFFAOYSA-N 1 0 380.411 2.741 20 0 GFADRO O=c1ccn(C[N@@H+]2CC[C@@H](N3CCCC3)C2)c2c(Br)cccc12 ZINC000729850616 655569191 /nfs/dbraw/zinc/56/91/91/655569191.db2.gz XEEUGYZTXPLEQE-CQSZACIVSA-N 1 0 376.298 2.892 20 0 GFADRO CC(=O)NCC1CC[NH+](Cn2ccc(=O)c3cccc(Br)c32)CC1 ZINC000729848450 655569263 /nfs/dbraw/zinc/56/92/63/655569263.db2.gz YWZIWXJBYDNHSB-UHFFFAOYSA-N 1 0 392.297 2.570 20 0 GFADRO CC(C)[C@@H](C[NH+](C)C)NC(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000733168288 655608736 /nfs/dbraw/zinc/60/87/36/655608736.db2.gz SKJGDVLXBQNBNQ-DZGCQCFKSA-N 1 0 396.329 2.504 20 0 GFADRO CC[N@H+](C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@H](C)CS(=O)(=O)CC ZINC000733199231 655609208 /nfs/dbraw/zinc/60/92/08/655609208.db2.gz WPRNMNAFAIIYMH-CVEARBPZSA-N 1 0 376.563 2.779 20 0 GFADRO Cc1n[nH]c(C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)c1Br ZINC000734133424 655626809 /nfs/dbraw/zinc/62/68/09/655626809.db2.gz DHHPYFHATOJNTL-CQSZACIVSA-N 1 0 377.286 2.875 20 0 GFADRO C[N@@H+]1CC[C@H](C(=O)Nc2cc(Br)cnc2OCC(F)(F)F)C1 ZINC000734143677 655627151 /nfs/dbraw/zinc/62/71/51/655627151.db2.gz KDWJWCOHSLMNKB-QMMMGPOBSA-N 1 0 382.180 2.675 20 0 GFADRO O=S(=O)(NC1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000734244732 655628529 /nfs/dbraw/zinc/62/85/29/655628529.db2.gz WSPQOBFUKJEAOI-ZDUSSCGKSA-N 1 0 393.336 2.915 20 0 GFADRO CCc1nn(C)c(Cl)c1C[NH2+]C[C@H](c1cccs1)N1CCN(C)CC1 ZINC000734842520 655635209 /nfs/dbraw/zinc/63/52/09/655635209.db2.gz OEKOBFPCDSBYAQ-MRXNPFEDSA-N 1 0 381.977 2.776 20 0 GFADRO C[NH+](C)CC[C@@H](NS(=O)(=O)c1c(Cl)nc2sccn21)C(C)(C)C ZINC000734849383 655635633 /nfs/dbraw/zinc/63/56/33/655635633.db2.gz BDUMNBAUEBYCGT-SNVBAGLBSA-N 1 0 378.951 2.694 20 0 GFADRO O=C(CCn1cc(Br)cn1)O[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000735213629 655642086 /nfs/dbraw/zinc/64/20/86/655642086.db2.gz UWHYLKMMVYEHSS-MRXNPFEDSA-N 1 0 378.270 2.853 20 0 GFADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)C[C@](O)(c1nc(C)cs1)C(F)(F)F ZINC000735923758 655655441 /nfs/dbraw/zinc/65/54/41/655655441.db2.gz JUTXVBRRDBTTGQ-WFASDCNBSA-N 1 0 379.448 2.582 20 0 GFADRO C[NH+](C)CCNC(=O)c1ccc(CNCc2occc2Br)cc1 ZINC000736641181 655665534 /nfs/dbraw/zinc/66/55/34/655665534.db2.gz CLHUTIWJZPSZJC-UHFFFAOYSA-N 1 0 380.286 2.623 20 0 GFADRO CCCS(=O)(=O)Nc1cccc(NC(=S)NC[C@H]2CCC[N@@H+]2CC)c1 ZINC000737451674 655672355 /nfs/dbraw/zinc/67/23/55/655672355.db2.gz AQDKZLCNRXXMAD-MRXNPFEDSA-N 1 0 384.571 2.609 20 0 GFADRO CC(C)[N@H+](C)CC1CCN(Cn2nc(N3CCOCC3)sc2=S)CC1 ZINC000738089241 655685311 /nfs/dbraw/zinc/68/53/11/655685311.db2.gz KOOCWHYBZHFHMV-UHFFFAOYSA-N 1 0 385.603 2.520 20 0 GFADRO CCSc1nn(CN2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)c(=S)s1 ZINC000738170940 655686519 /nfs/dbraw/zinc/68/65/19/655686519.db2.gz RXOIIAZDVKJJIT-CQSZACIVSA-N 1 0 387.644 2.845 20 0 GFADRO Ic1cccnc1NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000740866191 655700155 /nfs/dbraw/zinc/70/01/55/655700155.db2.gz ZMQUPPBNDAFKAX-ZDUSSCGKSA-N 1 0 387.265 2.742 20 0 GFADRO CCN(CCOc1ccc(Br)cc1)C(=S)NCCC[NH+](C)C ZINC000741862348 655708655 /nfs/dbraw/zinc/70/86/55/655708655.db2.gz GYAOFPFEBJULBH-UHFFFAOYSA-N 1 0 388.375 2.976 20 0 GFADRO C[NH+](C)CCN(CCc1ccccc1)C(=O)c1c[nH]c(=O)c(Br)c1 ZINC000742048999 655709643 /nfs/dbraw/zinc/70/96/43/655709643.db2.gz TXNQFZVFPQEPNH-UHFFFAOYSA-N 1 0 392.297 2.796 20 0 GFADRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)CN1C(=S)N=NC1c1cccs1 ZINC000742137594 655710280 /nfs/dbraw/zinc/71/02/80/655710280.db2.gz NEXFHZYBNVDPFZ-CYBMUJFWSA-N 1 0 379.555 2.628 20 0 GFADRO COC(=O)c1cc(S(=O)(=O)NC[C@H](C(C)C)[NH+]2CCC(C)CC2)cs1 ZINC000742276320 655713648 /nfs/dbraw/zinc/71/36/48/655713648.db2.gz DICNQQXBEQAKJK-OAHLLOKOSA-N 1 0 388.555 2.570 20 0 GFADRO O=S(=O)(c1c(Cl)nc2sccn21)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000742317815 655715544 /nfs/dbraw/zinc/71/55/44/655715544.db2.gz AYCWAEGUUDKHBB-LBPRGKRZSA-N 1 0 388.946 2.546 20 0 GFADRO C[C@@H](CNC(=S)NC1CC[NH+](C)CC1)Oc1cccc(Br)c1 ZINC000743018455 655724761 /nfs/dbraw/zinc/72/47/61/655724761.db2.gz UEYHQGBIFMGJCP-LBPRGKRZSA-N 1 0 386.359 2.775 20 0 GFADRO C[C@H](CNC(=S)NC1CC[NH+](C)CC1)Oc1ccc(Br)cc1 ZINC000743024022 655724932 /nfs/dbraw/zinc/72/49/32/655724932.db2.gz YJTWTVWILLBRHI-GFCCVEGCSA-N 1 0 386.359 2.775 20 0 GFADRO C[C@@H](c1ccc(Br)cc1)N1CCN(C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000743273416 655727646 /nfs/dbraw/zinc/72/76/46/655727646.db2.gz UNZGJFZVMQYVGT-LPHOPBHVSA-N 1 0 396.373 2.584 20 0 GFADRO CC(C)(C)O[C@H]1C[C@@H]([NH2+]CC2CCN(S(=O)(=O)C(F)F)CC2)C1(C)C ZINC000840728739 661179336 /nfs/dbraw/zinc/17/93/36/661179336.db2.gz LGGMDOYLUYHWHY-KGLIPLIRSA-N 1 0 382.517 2.823 20 0 GFADRO CC[NH+](CC)C[C@H]1CCN(Cn2c3ccc(Br)cc3oc2=O)C1 ZINC000743387405 655728400 /nfs/dbraw/zinc/72/84/00/655728400.db2.gz IGSCHGMAAPCIFM-CYBMUJFWSA-N 1 0 382.302 2.978 20 0 GFADRO C[C@@H](c1ccc(Br)cc1)N1CC[NH+](CCCN2CCOC2=O)CC1 ZINC000743851769 655732235 /nfs/dbraw/zinc/73/22/35/655732235.db2.gz MVOZHOZBYLZIBX-HNNXBMFYSA-N 1 0 396.329 2.970 20 0 GFADRO COC(=O)CC[N@H+](CCOc1ccc(Br)cc1)C1CCOCC1 ZINC000743872675 655732461 /nfs/dbraw/zinc/73/24/61/655732461.db2.gz XVJRSQNCKGRSOT-UHFFFAOYSA-N 1 0 386.286 2.872 20 0 GFADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)[C@H]1CSCCS1 ZINC000744384354 655739750 /nfs/dbraw/zinc/73/97/50/655739750.db2.gz UREFPHZTQADGMR-QGZVFWFLSA-N 1 0 381.567 2.624 20 0 GFADRO CC(C)[NH+]1CCC(NC(=O)COC(=O)/C=C\c2ccc(Br)o2)CC1 ZINC000744490524 655740953 /nfs/dbraw/zinc/74/09/53/655740953.db2.gz BEUUBAPBDSSNSU-XQRVVYSFSA-N 1 0 399.285 2.588 20 0 GFADRO COc1ccc2nc(Cl)ccc2c1S(=O)(=O)NCC[N@@H+]1CC[C@H](C)C1 ZINC000745942170 655756114 /nfs/dbraw/zinc/75/61/14/655756114.db2.gz AAZATPIYFDKGBJ-LBPRGKRZSA-N 1 0 383.901 2.517 20 0 GFADRO CCc1ccc([C@H](O)C[NH2+][C@H](C)Cn2cc(Br)ccc2=O)cc1 ZINC000840748648 661183060 /nfs/dbraw/zinc/18/30/60/661183060.db2.gz HPGSOMSYJIFAHQ-CXAGYDPISA-N 1 0 379.298 2.885 20 0 GFADRO OCCCC[NH+]1CCN(Cc2cc(Br)ccc2OC(F)F)CC1 ZINC000746487895 655762442 /nfs/dbraw/zinc/76/24/42/655762442.db2.gz PGKZITPCJZOPBX-UHFFFAOYSA-N 1 0 393.272 2.941 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2S(=O)(=O)/C=C/c1ccc(Cl)cc1 ZINC000746701873 655766713 /nfs/dbraw/zinc/76/67/13/655766713.db2.gz KIWPSDMQZUJCAE-RPOFVFNASA-N 1 0 384.929 2.824 20 0 GFADRO O=C(CCc1ccc(Br)cc1F)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000747228230 655774399 /nfs/dbraw/zinc/77/43/99/655774399.db2.gz CFUXNDQBUJXBIS-HUUCEWRRSA-N 1 0 385.277 2.500 20 0 GFADRO CC(=O)N1CSC[C@H]1C(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000747371856 655777990 /nfs/dbraw/zinc/77/79/90/655777990.db2.gz AFJQGKFWANWHSF-IRXDYDNUSA-N 1 0 381.929 2.515 20 0 GFADRO OCCC[N@@H+]1CCC[C@H]1CNC(=S)NCCSc1ccc(Cl)cc1 ZINC000840776882 661186414 /nfs/dbraw/zinc/18/64/14/661186414.db2.gz PDHANJQPAGJNDZ-HNNXBMFYSA-N 1 0 388.002 2.743 20 0 GFADRO Cc1nc(Cl)sc1C(=O)N[C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000748537061 655791777 /nfs/dbraw/zinc/79/17/77/655791777.db2.gz IXESILZYXCLGTO-OAHLLOKOSA-N 1 0 378.929 2.823 20 0 GFADRO C[NH+](C)[C@]1(CNC(=O)NC[C@H](O)c2ccc(Cl)cc2Cl)CCSC1 ZINC000748648400 655793282 /nfs/dbraw/zinc/79/32/82/655793282.db2.gz VBZBLAVOOYCDPL-HOCLYGCPSA-N 1 0 392.352 2.763 20 0 GFADRO CCCC[NH+]1CCC(Nc2nc(CS(C)(=O)=O)nc(Cl)c2CC)CC1 ZINC000749096785 655799988 /nfs/dbraw/zinc/79/99/88/655799988.db2.gz QIHJCSZXQOUFRF-UHFFFAOYSA-N 1 0 388.965 2.913 20 0 GFADRO O=C(NC1CC[NH+](C[C@H]2CCCO2)CC1)c1c(F)cccc1Br ZINC000749389089 655804122 /nfs/dbraw/zinc/80/41/22/655804122.db2.gz HIPSCJFFFPNCDK-CYBMUJFWSA-N 1 0 385.277 2.961 20 0 GFADRO CC[NH+]1CCC(NS(=O)(=O)c2c(OC)ccc3nc(Cl)ccc32)CC1 ZINC000751269158 655824404 /nfs/dbraw/zinc/82/44/04/655824404.db2.gz GBTREVFJKKCNME-UHFFFAOYSA-N 1 0 383.901 2.659 20 0 GFADRO O=C([C@@H]1CCC[N@@H+](C[C@@H](O)c2ccccc2Br)C1)N1CCCC1 ZINC000751987658 655837941 /nfs/dbraw/zinc/83/79/41/655837941.db2.gz KVVQPFVQKHYUMI-RHSMWYFYSA-N 1 0 381.314 2.817 20 0 GFADRO C[N@H+](C[C@H](O)c1cccc(Br)c1)CC(C)(C)CN1CCOCC1 ZINC000752086652 655839443 /nfs/dbraw/zinc/83/94/43/655839443.db2.gz OCIDOCOPSJZWPE-KRWDZBQOSA-N 1 0 385.346 2.773 20 0 GFADRO C[NH+]1CCC(NC(=S)N2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)CC1 ZINC000840843690 661194971 /nfs/dbraw/zinc/19/49/71/661194971.db2.gz OGGWVEJNIZLJCU-CQSZACIVSA-N 1 0 379.492 2.636 20 0 GFADRO C[C@H](CNC(=O)Cc1ccc(I)cc1)[NH+]1CCCCC1 ZINC000754181152 655864930 /nfs/dbraw/zinc/86/49/30/655864930.db2.gz CVXVMXGLDAALEQ-CYBMUJFWSA-N 1 0 386.277 2.824 20 0 GFADRO C[NH+](C)CC(C)(C)CNC(=S)NNc1cc(F)ccc1Br ZINC000840863059 661196213 /nfs/dbraw/zinc/19/62/13/661196213.db2.gz IZPZEZJLOXBKSL-UHFFFAOYSA-N 1 0 377.327 2.967 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CNC(=S)NNc1cc(F)ccc1Br ZINC000840864589 661196555 /nfs/dbraw/zinc/19/65/55/661196555.db2.gz WJWXVHPWFGCDHL-LLVKDONJSA-N 1 0 375.311 2.864 20 0 GFADRO C[C@H]([NH2+]CCOc1ccc(S(N)(=O)=O)cc1)c1nc2ccccc2s1 ZINC000754697299 655871667 /nfs/dbraw/zinc/87/16/67/655871667.db2.gz AHOPDTAROBYBMR-LBPRGKRZSA-N 1 0 377.491 2.673 20 0 GFADRO O=S(=O)(CC[NH2+][C@@H](c1ccc(Br)cc1)[C@H]1CCCO1)C1CC1 ZINC000840884640 661198362 /nfs/dbraw/zinc/19/83/62/661198362.db2.gz RZHJEWIVMISETJ-CVEARBPZSA-N 1 0 388.327 2.836 20 0 GFADRO Cc1ccc(CNC(=S)NC2CC[NH+](C)CC2)c(OCC(F)(F)F)c1 ZINC000755713217 655887482 /nfs/dbraw/zinc/88/74/82/655887482.db2.gz METWVIOSCOQMPD-UHFFFAOYSA-N 1 0 375.460 2.994 20 0 GFADRO O=c1c(Br)nn(CN2CC[C@H]([NH+]3CCCCC3)C2)c2ccccc12 ZINC000755739441 655887996 /nfs/dbraw/zinc/88/79/96/655887996.db2.gz MDBMCKGJRCMSHA-AWEZNQCLSA-N 1 0 391.313 2.677 20 0 GFADRO O=c1c(Br)nn(C[N@@H+]2CC[C@@H](C3CCOCC3)C2)c2ccccc12 ZINC000755755703 655888532 /nfs/dbraw/zinc/88/85/32/655888532.db2.gz OGDHFBLTCBLATJ-CQSZACIVSA-N 1 0 392.297 2.865 20 0 GFADRO Cc1nccn1CCC[N@@H+](C)Cn1nc(Br)c(=O)c2ccccc21 ZINC000755754344 655888541 /nfs/dbraw/zinc/88/85/41/655888541.db2.gz WNZBBBPMNQLCTH-UHFFFAOYSA-N 1 0 390.285 2.644 20 0 GFADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]CCSCC(C)C ZINC000756042450 655893641 /nfs/dbraw/zinc/89/36/41/655893641.db2.gz UXHFHGPMMWFWMJ-CYBMUJFWSA-N 1 0 379.979 2.683 20 0 GFADRO CCOC(=O)c1sc([C@@H](C)NC(=S)NC[C@@H]2CCC[N@@H+]2CC)nc1C ZINC000756800944 655905415 /nfs/dbraw/zinc/90/54/15/655905415.db2.gz PMGYSIHHCIHQDR-OLZOCXBDSA-N 1 0 384.571 2.638 20 0 GFADRO C[NH+](C)CCNC(=S)NCCCOc1ncc(C(F)(F)F)cc1Cl ZINC000756851675 655906130 /nfs/dbraw/zinc/90/61/30/655906130.db2.gz LNDAHEHRSCDHGF-UHFFFAOYSA-N 1 0 384.855 2.548 20 0 GFADRO COC(=O)c1cc(S(=O)(=O)NC[C@@H](C)[N@@H+]2CCCC[C@H]2C)ccc1Cl ZINC000757485113 655912162 /nfs/dbraw/zinc/91/21/62/655912162.db2.gz GSHOXBPJCKRSCJ-CHWSQXEVSA-N 1 0 388.917 2.668 20 0 GFADRO COC(=O)c1cc(S(=O)(=O)NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)ccc1Cl ZINC000757488534 655912402 /nfs/dbraw/zinc/91/24/02/655912402.db2.gz YHGNEELYXMBROM-CHWSQXEVSA-N 1 0 388.917 2.525 20 0 GFADRO CC(C)[NH+](CCCNC(=O)c1cccnc1I)C(C)C ZINC000758302791 655928950 /nfs/dbraw/zinc/92/89/50/655928950.db2.gz QJSDJLBNDLLSJC-UHFFFAOYSA-N 1 0 389.281 2.925 20 0 GFADRO Cc1cc(Br)cn2cc(CCNC(=O)N3CCOC[C@H](C)C3)nc12 ZINC000758694076 655939247 /nfs/dbraw/zinc/93/92/47/655939247.db2.gz BCWVCBCACVBBDJ-GFCCVEGCSA-N 1 0 395.301 2.626 20 0 GFADRO O=C(CCc1cc(Br)ccc1F)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000758897489 655943142 /nfs/dbraw/zinc/94/31/42/655943142.db2.gz BAOPRNNKCYOZRK-HUUCEWRRSA-N 1 0 385.277 2.500 20 0 GFADRO O[C@@H](C[NH2+]C[C@@]1(N2CCOCC2)CCSC1)c1ccc(Cl)cc1Cl ZINC000759064119 655946353 /nfs/dbraw/zinc/94/63/53/655946353.db2.gz CZQOGRYYBMMFHD-IRXDYDNUSA-N 1 0 391.364 2.824 20 0 GFADRO Cc1ccccc1[C@@H]([C@H](C)NC(=O)c1cc(Br)nn1C)[NH+](C)C ZINC000759325618 655952888 /nfs/dbraw/zinc/95/28/88/655952888.db2.gz YRZNHIKRKFNNEK-BLLLJJGKSA-N 1 0 379.302 2.912 20 0 GFADRO CC(C)[C@H](C[NH+](C)C)NC(=O)c1ncc(Br)cc1Br ZINC000759852820 655965103 /nfs/dbraw/zinc/96/51/03/655965103.db2.gz SJPNZYOYCRPQMF-NSHDSACASA-N 1 0 393.123 2.923 20 0 GFADRO C[C@H](C[NH+]1CCOCC1)C(=O)NCC[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC000760736445 655990805 /nfs/dbraw/zinc/99/08/05/655990805.db2.gz IFEFQGYAKVJNCU-WBMJQRKESA-N 1 0 375.296 2.501 20 0 GFADRO C[C@@H](CNS(=O)(=O)c1ccc2nc(Cl)cnc2c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000760855219 655993635 /nfs/dbraw/zinc/99/36/35/655993635.db2.gz PWKQYRWHGYGTOE-OLZOCXBDSA-N 1 0 382.917 2.682 20 0 GFADRO C[C@H](CN1C(=O)N[C@@H](c2ccc(Br)cc2)C1=O)[NH+]1CCCCC1 ZINC000761116629 655998744 /nfs/dbraw/zinc/99/87/44/655998744.db2.gz BLVCQJIANVSFIX-DOMZBBRYSA-N 1 0 380.286 2.916 20 0 GFADRO C[C@@]1(c2cccc(Br)c2)NC(=O)N([C@H]2CC[N@H+](CC3CC3)C2)C1=O ZINC000761241455 656004670 /nfs/dbraw/zinc/00/46/70/656004670.db2.gz WOQLPKBKCMWEKS-YJBOKZPZSA-N 1 0 392.297 2.700 20 0 GFADRO CC(C)OCC[NH+]1CCC(NC(=O)N[C@@H]2CC[C@@H]3SCCS[C@@H]23)CC1 ZINC000762635300 656053869 /nfs/dbraw/zinc/05/38/69/656053869.db2.gz VOWZAQIYPVSRPH-IKGGRYGDSA-N 1 0 387.615 2.555 20 0 GFADRO C[N@@H+]1CC[C@](O)(CNC(=O)C(C)(C)Sc2ccc(Br)cc2)C1 ZINC000762721225 656056959 /nfs/dbraw/zinc/05/69/59/656056959.db2.gz IYGMIPLAMQCJIN-INIZCTEOSA-N 1 0 387.343 2.503 20 0 GFADRO C[NH+](C)CCN(Cc1ccccn1)C(=O)N[C@@H]1CC[C@@H]2SCCS[C@@H]12 ZINC000763059931 656069839 /nfs/dbraw/zinc/06/98/39/656069839.db2.gz FYTUMIJDJYSNOR-IKGGRYGDSA-N 1 0 380.583 2.534 20 0 GFADRO C[C@@H]([NH2+][C@@H](CCO)C1CCOCC1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000763558205 656086040 /nfs/dbraw/zinc/08/60/40/656086040.db2.gz JDVOVZHHOPHQSV-WBMJQRKESA-N 1 0 377.453 2.511 20 0 GFADRO COc1ccc(C(=O)NCC[N@@H+]2CCC[C@@H]2C)cc1I ZINC000763763208 656092404 /nfs/dbraw/zinc/09/24/04/656092404.db2.gz DPUMVHGECFWFDT-NSHDSACASA-N 1 0 388.249 2.514 20 0 GFADRO C[N@H+](CC(=O)NC[C@](O)(c1ccc(Cl)cc1)C(F)(F)F)[C@H]1CCSC1 ZINC000764071901 656100091 /nfs/dbraw/zinc/10/00/91/656100091.db2.gz VRBGVGDKQNVNKV-ZFWWWQNUSA-N 1 0 396.862 2.643 20 0 GFADRO Cc1ccc(Br)c(C(=O)OCC(=O)NC2CC[NH+](C(C)C)CC2)c1 ZINC000764196759 656104587 /nfs/dbraw/zinc/10/45/87/656104587.db2.gz QCGJLJIDBBVFAX-UHFFFAOYSA-N 1 0 397.313 2.903 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1cnn(-c2ccccc2)c1Br ZINC000765002371 656125695 /nfs/dbraw/zinc/12/56/95/656125695.db2.gz HUJDHAXMSSJNSD-CVEARBPZSA-N 1 0 389.297 2.991 20 0 GFADRO O=C1CC2(CN1)CC[NH+](Cn1ccc(-c3ccc(Br)cc3)n1)CC2 ZINC000765054575 656128099 /nfs/dbraw/zinc/12/80/99/656128099.db2.gz HOHWGLPBWCXCAG-UHFFFAOYSA-N 1 0 389.297 2.872 20 0 GFADRO C[C@@H]1CCCN(C(=O)Nc2cc3c(cc2Br)OCCO3)[C@H]1C[NH3+] ZINC000841014675 661227339 /nfs/dbraw/zinc/22/73/39/661227339.db2.gz HUUOSEXEYSXQDA-MFKMUULPSA-N 1 0 384.274 2.811 20 0 GFADRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NS(=O)(=O)/C=C\c1ccc(Br)cc1 ZINC000765207444 656136953 /nfs/dbraw/zinc/13/69/53/656136953.db2.gz HOTANBFZMHAILF-ICIPHMPKSA-N 1 0 385.327 2.822 20 0 GFADRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NS(=O)(=O)/C=C\c1cccc(Br)c1 ZINC000765208192 656136986 /nfs/dbraw/zinc/13/69/86/656136986.db2.gz KXHMFLNOTPEJTG-KOETXDSWSA-N 1 0 385.327 2.822 20 0 GFADRO CC[C@@H]1CN(C(=O)Nc2cc3c(cc2Br)OCCO3)CC[C@@H]1[NH3+] ZINC000841016695 661228613 /nfs/dbraw/zinc/22/86/13/661228613.db2.gz WLWOSHUOSPBXPS-PWSUYJOCSA-N 1 0 384.274 2.811 20 0 GFADRO CS(=O)(=O)CC[NH2+][C@H](Cc1ccccn1)c1ccc(Br)cc1 ZINC000765441508 656143297 /nfs/dbraw/zinc/14/32/97/656143297.db2.gz MBZCPQDERNYWQA-MRXNPFEDSA-N 1 0 383.311 2.762 20 0 GFADRO O=S1(=O)CCCN1c1cccc(C[NH2+][C@@H]2CC[C@@H]3SCCS[C@H]23)c1 ZINC000765806987 656152713 /nfs/dbraw/zinc/15/27/13/656152713.db2.gz DNPOHZZZHSHRFY-IXDOHACOSA-N 1 0 384.592 2.696 20 0 GFADRO CC[N@@H+]1C[C@H](C)N(C(=O)COc2ccc(C=O)cc2Br)C[C@@H]1C ZINC000765933741 656155391 /nfs/dbraw/zinc/15/53/91/656155391.db2.gz VAYNZAIWACCSBR-STQMWFEESA-N 1 0 383.286 2.582 20 0 GFADRO Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1CN1CCC(O)(C[NH3+])CC1 ZINC000841107491 661233574 /nfs/dbraw/zinc/23/35/74/661233574.db2.gz IJSVPZSGRVXULV-UHFFFAOYSA-N 1 0 383.323 2.832 20 0 GFADRO CC[NH2+]Cc1cccc(NC(=O)C(=O)N2CC[C@]3(C)[C@H](C2)C3(Cl)Cl)c1 ZINC000841125411 661235302 /nfs/dbraw/zinc/23/53/02/661235302.db2.gz LCNCRMOTBLMTRD-WMLDXEAASA-N 1 0 384.307 2.777 20 0 GFADRO CC(C)[C@@H](CC[N@H+](C)CC1CCS(=O)(=O)CC1)NC(=O)OC(C)(C)C ZINC000767413642 656202302 /nfs/dbraw/zinc/20/23/02/656202302.db2.gz DFBXNWIWLRRCFW-MRXNPFEDSA-N 1 0 376.563 2.682 20 0 GFADRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)Nc1cnc(Br)c(Br)c1 ZINC000841140826 661236517 /nfs/dbraw/zinc/23/65/17/661236517.db2.gz DDMAWDVXADPQDN-OIBJUYFYSA-N 1 0 392.095 2.726 20 0 GFADRO C[C@H](C[NH3+])N(C)C(=O)C(=O)Nc1ccccc1SC[C@H]1CC1(Cl)Cl ZINC000841174237 661241556 /nfs/dbraw/zinc/24/15/56/661241556.db2.gz TZPNTZKZFMQWBN-GHMZBOCLSA-N 1 0 390.336 2.717 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)Nc2cnc(Br)c(Br)c2)C1 ZINC000841142419 661237476 /nfs/dbraw/zinc/23/74/76/661237476.db2.gz OGHCCWZTHHUKEH-HTQZYQBOSA-N 1 0 392.095 2.808 20 0 GFADRO COc1cc(S(=O)(=O)NCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)cnc1Cl ZINC000767703320 656215554 /nfs/dbraw/zinc/21/55/54/656215554.db2.gz BQJCOXLCTKQMQC-ZIAGYGMSSA-N 1 0 389.949 2.780 20 0 GFADRO COc1cc(S(=O)(=O)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cnc1Cl ZINC000767842062 656222803 /nfs/dbraw/zinc/22/28/03/656222803.db2.gz FBYGYAOMXYBAKC-CHWSQXEVSA-N 1 0 387.933 2.675 20 0 GFADRO O=C(NC[C@H]1CCC[NH2+]C1)C(=O)Nc1ccc2cc(Br)ccc2c1 ZINC000841157603 661239787 /nfs/dbraw/zinc/23/97/87/661239787.db2.gz HMITZPLLLRYHHR-LBPRGKRZSA-N 1 0 390.281 2.657 20 0 GFADRO C[C@@H]1CN(C(=O)C(=O)Nc2cccc(Cl)c2SC(F)F)CC[C@@H]1[NH3+] ZINC000841179827 661242008 /nfs/dbraw/zinc/24/20/08/661242008.db2.gz SDXUYEQGSXSDRV-SCZZXKLOSA-N 1 0 377.844 2.789 20 0 GFADRO C[NH2+][C@@H]1CCCN(C(=O)C(=O)Nc2ccc3cc(Br)ccc3c2)C1 ZINC000841164034 661240650 /nfs/dbraw/zinc/24/06/50/661240650.db2.gz MUQBLKJXDMRPTG-MRXNPFEDSA-N 1 0 390.281 2.751 20 0 GFADRO O=C(NCC[C@H]1CC[NH2+]C1)C(=O)Nc1ccc2cc(Br)ccc2c1 ZINC000841169516 661240993 /nfs/dbraw/zinc/24/09/93/661240993.db2.gz MLENVDFBBSGHSD-GFCCVEGCSA-N 1 0 390.281 2.657 20 0 GFADRO CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NS(=O)(=O)c1cnc(Cl)n1C ZINC000768908114 656259930 /nfs/dbraw/zinc/25/99/30/656259930.db2.gz BJURXYDYOWLQTH-HNNXBMFYSA-N 1 0 384.933 2.508 20 0 GFADRO CC[NH+](CC)CCN(Cc1cccs1)S(=O)(=O)c1cnc(Cl)n1C ZINC000769390205 656273104 /nfs/dbraw/zinc/27/31/04/656273104.db2.gz RUBMGMFIQSHLMG-UHFFFAOYSA-N 1 0 390.962 2.668 20 0 GFADRO [NH3+][C@H]1CCC[C@H](NC(=O)C(=O)Nc2cccc(Cl)c2SC(F)F)C1 ZINC000841225721 661245853 /nfs/dbraw/zinc/24/58/53/661245853.db2.gz FPZRVPQOHDPMIY-IUCAKERBSA-N 1 0 377.844 2.979 20 0 GFADRO COC(=O)CC(C)(C)[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000770194650 656310501 /nfs/dbraw/zinc/31/05/01/656310501.db2.gz CVGHAKWRWNSADV-LLVKDONJSA-N 1 0 394.693 2.774 20 0 GFADRO Cc1c(Br)nccc1NC(=O)NCCC[NH2+]Cc1cccnc1 ZINC000841255497 661249541 /nfs/dbraw/zinc/24/95/41/661249541.db2.gz WFALKDDEWHGIJE-UHFFFAOYSA-N 1 0 378.274 2.849 20 0 GFADRO [NH3+]C[C@H]1CC[C@@H](NC(=O)C(=O)Nc2ccc3cc(Br)ccc3c2)C1 ZINC000841261799 661250225 /nfs/dbraw/zinc/25/02/25/661250225.db2.gz VYMMATWWDKIDSX-XHDPSFHLSA-N 1 0 390.281 2.784 20 0 GFADRO COC(=O)C[C@@]1([NH2+]Cc2cnc3c(C)cc(Br)cn23)CCCOC1 ZINC000770674162 656326365 /nfs/dbraw/zinc/32/63/65/656326365.db2.gz AYGDLWPJFDVHQB-KRWDZBQOSA-N 1 0 396.285 2.607 20 0 GFADRO [NH3+]CC[C@H](NC(=O)NCC[C@H](O)c1ccc(Cl)c(Cl)c1)C(F)(F)F ZINC000841333663 661252358 /nfs/dbraw/zinc/25/23/58/661252358.db2.gz OXNVPEYOSXMILE-RYUDHWBXSA-N 1 0 388.217 2.996 20 0 GFADRO CSCc1nn(CN2CCN(C3CC[NH+](C(C)C)CC3)CC2)c(=S)o1 ZINC000771174455 656342150 /nfs/dbraw/zinc/34/21/50/656342150.db2.gz KGEJOEKRWNEPPW-UHFFFAOYSA-N 1 0 385.603 2.516 20 0 GFADRO OCC[C@@H]([NH2+]C[C@@H](O)COc1ccc(Cl)cc1Br)C1CC1 ZINC000771805232 656362872 /nfs/dbraw/zinc/36/28/72/656362872.db2.gz YNQMPOTUUNAGHG-TZMCWYRMSA-N 1 0 378.694 2.593 20 0 GFADRO C[C@H](CNS(=O)(=O)c1ccc2nc(Cl)cnc2c1)[N@@H+]1CCCC[C@@H]1C ZINC000772919228 656393578 /nfs/dbraw/zinc/39/35/78/656393578.db2.gz KXWLQOTXVZLZMF-QWHCGFSZSA-N 1 0 382.917 2.824 20 0 GFADRO COC(=O)CS(=O)(=O)Cc1ccc(C[NH2+][C@@H](C)Cc2ccsc2)cc1 ZINC000773034840 656397432 /nfs/dbraw/zinc/39/74/32/656397432.db2.gz HVPZRNUXRGOUJV-AWEZNQCLSA-N 1 0 381.519 2.557 20 0 GFADRO Cc1cc(Br)cc(C[N@@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)c1 ZINC000774825587 656559962 /nfs/dbraw/zinc/55/99/62/656559962.db2.gz ICOIFODPRDKPKN-INIZCTEOSA-N 1 0 381.314 2.828 20 0 GFADRO Cc1cc(Br)cc(C[NH2+]CCNS(=O)(=O)c2ccccc2)c1 ZINC000774974139 656578405 /nfs/dbraw/zinc/57/84/05/656578405.db2.gz JKRIZLSHKZPKDB-UHFFFAOYSA-N 1 0 383.311 2.826 20 0 GFADRO Cc1cc(Br)cc(C[NH2+]C[C@H]2CCC[C@]23NC(=O)N(C)C3=O)c1 ZINC000774998376 656583750 /nfs/dbraw/zinc/58/37/50/656583750.db2.gz COZUTECJLKQBOH-DYVFJYSZSA-N 1 0 380.286 2.568 20 0 GFADRO Cc1cc(Br)cc(C[NH2+]C[C@@H]2CCC[C@H]2NS(C)(=O)=O)c1 ZINC000775004512 656585154 /nfs/dbraw/zinc/58/51/54/656585154.db2.gz OYZDRZCRYDJVQL-DZGCQCFKSA-N 1 0 375.332 2.565 20 0 GFADRO Cc1cc2ncn(C[C@H](O)C[NH2+][C@@H]3CC[C@@H]4SCCS[C@@H]34)c2cc1C ZINC000775409049 656637247 /nfs/dbraw/zinc/63/72/47/656637247.db2.gz MGYYFUGSGGPAGF-LTDCPUDJSA-N 1 0 377.579 2.983 20 0 GFADRO COCCN(CC[NH2+][C@@H]1CC[C@@H]2SCCS[C@H]12)C(=O)OC(C)(C)C ZINC000775421660 656637860 /nfs/dbraw/zinc/63/78/60/656637860.db2.gz IRRGMRNGCLELFP-QLFBSQMISA-N 1 0 376.588 2.839 20 0 GFADRO COc1ccc(CN2CC[C@H]([NH2+][C@@H]3CC[C@H]4SCCS[C@H]34)C2=O)cc1 ZINC000775409502 656638196 /nfs/dbraw/zinc/63/81/96/656638196.db2.gz NCWJSXYKKKCSID-XMTFNYHQSA-N 1 0 378.563 2.765 20 0 GFADRO CC1(O)CCC([NH2+][C@@H]2CCS(=O)(=O)c3ccc(Br)cc32)CC1 ZINC000775512087 656646199 /nfs/dbraw/zinc/64/61/99/656646199.db2.gz LJRHRKGYQZYISM-CXOJTPOUSA-N 1 0 388.327 2.951 20 0 GFADRO O[C@H](CN1CCN(c2cc[nH+]cc2)CC1)c1ccc(F)c(Br)c1 ZINC000775614883 656657054 /nfs/dbraw/zinc/65/70/54/656657054.db2.gz DIVSKQFVYNFDFT-QGZVFWFLSA-N 1 0 380.261 2.839 20 0 GFADRO Cc1nn2c(C[NH2+][C@@H](C)c3cccc(NS(C)(=O)=O)c3)c(C)nc2s1 ZINC000776068437 656710270 /nfs/dbraw/zinc/71/02/70/656710270.db2.gz ASJDYUMZWSNCNK-JTQLQIEISA-N 1 0 379.511 2.630 20 0 GFADRO Cn1c(Cl)nc(Cl)c1C[NH2+]C[C@H](Cc1ccccc1Cl)C(N)=O ZINC000776940471 656801735 /nfs/dbraw/zinc/80/17/35/656801735.db2.gz XJSYYXLJKOTZQQ-JTQLQIEISA-N 1 0 375.687 2.814 20 0 GFADRO C=C1[NH+]=C(SC[C@H](O)CSC)N[C@H](c2ccccc2)C1C(=O)OCC ZINC000777662507 656831843 /nfs/dbraw/zinc/83/18/43/656831843.db2.gz WSTHWNBDEFGCLK-GDBMZVCRSA-N 1 0 380.535 2.981 20 0 GFADRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)COc1ccc(C=O)cc1Br ZINC000778408624 656880514 /nfs/dbraw/zinc/88/05/14/656880514.db2.gz WJYWELIJLAUYCN-CYBMUJFWSA-N 1 0 397.313 2.829 20 0 GFADRO Cc1ccc(/C=C/C(=O)N2CC[NH+](C(C)(C)CO)CC2)c(Br)c1 ZINC000778942823 656896253 /nfs/dbraw/zinc/89/62/53/656896253.db2.gz MAISTDIKVXYQEF-VOTSOKGWSA-N 1 0 381.314 2.686 20 0 GFADRO C[C@@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1Cl)C1CCS(=O)(=O)CC1 ZINC000779030794 656897741 /nfs/dbraw/zinc/89/77/41/656897741.db2.gz UDWYMTOUPCLJDD-SNVBAGLBSA-N 1 0 379.309 2.735 20 0 GFADRO O=C(NOCc1ccc(F)cc1Br)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000780307347 656997131 /nfs/dbraw/zinc/99/71/31/656997131.db2.gz IEAKYWOLWQHJOE-HUUCEWRRSA-N 1 0 386.265 2.946 20 0 GFADRO Cc1cccc(S(=O)(=O)NC[C@@H](C)[NH+]2CCCCC2)c1Br ZINC000780716969 657025466 /nfs/dbraw/zinc/02/54/66/657025466.db2.gz AVFCHNJGUBGRQN-CYBMUJFWSA-N 1 0 375.332 2.910 20 0 GFADRO C[C@@H](CNS(=O)(=O)c1cc(Br)c(F)cc1F)[NH+]1CCCCC1 ZINC000780719041 657025726 /nfs/dbraw/zinc/02/57/26/657025726.db2.gz KZWRZKIQLLRSKC-JTQLQIEISA-N 1 0 397.285 2.880 20 0 GFADRO Cc1c(S(=O)(=O)NCC[N@H+]2CCC[C@@H]2C)cnn1-c1ccc(Cl)cc1 ZINC000780865603 657034083 /nfs/dbraw/zinc/03/40/83/657034083.db2.gz GQVNBHVZXLYEBL-ZDUSSCGKSA-N 1 0 382.917 2.597 20 0 GFADRO COc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)nc1Br ZINC000781569824 657063990 /nfs/dbraw/zinc/06/39/90/657063990.db2.gz PBNZATLWVYEWCI-AWEZNQCLSA-N 1 0 390.281 2.857 20 0 GFADRO COC(=O)c1ccc(C[NH2+]C[C@](O)(c2ccc(Cl)cc2)C(F)(F)F)[nH]1 ZINC000781917793 657089171 /nfs/dbraw/zinc/08/91/71/657089171.db2.gz ITMIXKYIFJEAFD-HNNXBMFYSA-N 1 0 376.762 2.994 20 0 GFADRO CSCCCCCCNC(=S)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000782202233 657114775 /nfs/dbraw/zinc/11/47/75/657114775.db2.gz HVSAHPTUJKDBRK-SFHVURJKSA-N 1 0 386.675 2.886 20 0 GFADRO C[NH+](C)CCCNC(=S)N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000782206111 657115323 /nfs/dbraw/zinc/11/53/23/657115323.db2.gz VFMQZTKISXLVDH-OAHLLOKOSA-N 1 0 375.460 2.905 20 0 GFADRO CSc1nnc(CNC(=S)NC2CC[NH+](Cc3ccccc3)CC2)s1 ZINC000782212079 657116380 /nfs/dbraw/zinc/11/63/80/657116380.db2.gz JSOWOBRPVJVGAO-UHFFFAOYSA-N 1 0 393.607 2.889 20 0 GFADRO Cn1nc(C(F)(F)F)c(CN2CCC[N@H+](C[C@@H]3CCCO3)CC2)c1Cl ZINC000782454996 657145419 /nfs/dbraw/zinc/14/54/19/657145419.db2.gz CUGSMTRMZRWLTB-LBPRGKRZSA-N 1 0 380.842 2.779 20 0 GFADRO CS[C@@H]1CN(S(=O)(=O)c2c(Cl)ccnc2Cl)C[C@H]1[NH+]1CCCC1 ZINC000782480666 657149032 /nfs/dbraw/zinc/14/90/32/657149032.db2.gz CRTLHZQUKGBLDH-VXGBXAGGSA-N 1 0 396.365 2.589 20 0 GFADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1S(=O)(=O)/C=C/c1cccc(Cl)c1 ZINC000785310083 657354191 /nfs/dbraw/zinc/35/41/91/657354191.db2.gz IBZCPOGXQIWJOM-CUXKMMBLSA-N 1 0 384.929 2.826 20 0 GFADRO Cn1nc(Br)cc1C[NH2+]Cc1ccc(Cn2ccccc2=O)cc1 ZINC000785436229 657364849 /nfs/dbraw/zinc/36/48/49/657364849.db2.gz YMRHCTXJFKINAT-UHFFFAOYSA-N 1 0 387.281 2.682 20 0 GFADRO COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)NCC[N@@H+]1CCC[C@@H]1C ZINC000786869025 657477650 /nfs/dbraw/zinc/47/76/50/657477650.db2.gz QPESVHXJUJVVKY-UONOGXRCSA-N 1 0 390.933 2.516 20 0 GFADRO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1ncc(Br)cn1 ZINC000786996791 657502174 /nfs/dbraw/zinc/50/21/74/657502174.db2.gz CKPAFQCQABMNKX-UHFFFAOYSA-N 1 0 375.270 2.634 20 0 GFADRO CN(CCOc1ccc(C(F)(F)F)cc1)C(=S)NC1CC[NH+](C)CC1 ZINC000787197410 657526974 /nfs/dbraw/zinc/52/69/74/657526974.db2.gz RDFJJSCIYPFSHJ-UHFFFAOYSA-N 1 0 375.460 2.985 20 0 GFADRO CN1CCN(c2ccc(NC(=O)CCCC[NH+](C)C)cc2Br)CC1 ZINC000787669378 657584068 /nfs/dbraw/zinc/58/40/68/657584068.db2.gz YMWYHMRXXFSZHI-UHFFFAOYSA-N 1 0 397.361 2.871 20 0 GFADRO O=C(NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1cc(Br)n[nH]1 ZINC000788291275 657691036 /nfs/dbraw/zinc/69/10/36/657691036.db2.gz BFOGQPXRVXKHNB-NSHDSACASA-N 1 0 383.315 2.876 20 0 GFADRO NC(=O)C1=NO[C@@H](C[NH2+]Cc2ccc(-c3cccc(Br)c3)s2)C1 ZINC000789562162 657865810 /nfs/dbraw/zinc/86/58/10/657865810.db2.gz VZYOUQJPEVUDIQ-GFCCVEGCSA-N 1 0 394.294 2.897 20 0 GFADRO CC[NH+](CC)C[C@@H](C)NS(=O)(=O)c1ccc(Br)c(C(C)=O)c1 ZINC000790879672 658039304 /nfs/dbraw/zinc/03/93/04/658039304.db2.gz JFYSGYOYGMRCML-LLVKDONJSA-N 1 0 391.331 2.660 20 0 GFADRO CC(C)[NH+]1CCN(CCCOC(=O)c2cccc(Br)c2N)CC1 ZINC000791731181 658168226 /nfs/dbraw/zinc/16/82/26/658168226.db2.gz DQCIYTAEOQWWCX-UHFFFAOYSA-N 1 0 384.318 2.604 20 0 GFADRO C[NH+](C)CCCOC(=O)[C@@H](c1cc(Cl)cc(Cl)c1)N1CCOCC1 ZINC000792062719 658227173 /nfs/dbraw/zinc/22/71/73/658227173.db2.gz FMHDLAKNBPSLFR-MRXNPFEDSA-N 1 0 375.296 2.862 20 0 GFADRO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)c1nc(Br)ccc1F ZINC000792074159 658228580 /nfs/dbraw/zinc/22/85/80/658228580.db2.gz IHJVVXYSRXOPLG-CYBMUJFWSA-N 1 0 380.261 2.886 20 0 GFADRO C[NH+](C)CCCOC(=O)c1cc(Br)c(N)c(Br)c1 ZINC000792169493 658244481 /nfs/dbraw/zinc/24/44/81/658244481.db2.gz MKENFHVLQPPHGZ-UHFFFAOYSA-N 1 0 380.080 2.902 20 0 GFADRO NC(=O)[C@H](OC(=O)c1ccc2c[nH+]cn2c1)c1ccc(Br)cc1F ZINC000792554053 658300243 /nfs/dbraw/zinc/30/02/43/658300243.db2.gz UQGWRLGQKSZTQM-CQSZACIVSA-N 1 0 392.184 2.619 20 0 GFADRO CC[S@@](=O)CC[NH2+][C@@H](C)CCc1ccc(I)cc1 ZINC000792988173 658341583 /nfs/dbraw/zinc/34/15/83/658341583.db2.gz WCZZBRZBQYUUGH-KPZWWZAWSA-N 1 0 379.307 2.971 20 0 GFADRO COC(=O)[C@H](Cc1ccccc1)[C@H](C)[NH2+]Cc1cc(Br)nn1C ZINC000793607447 658415795 /nfs/dbraw/zinc/41/57/95/658415795.db2.gz DRNGFZTUYKHIDE-SWLSCSKDSA-N 1 0 380.286 2.693 20 0 GFADRO C[C@@H](CNC(=O)C(=O)N(C)Cc1c(Cl)cccc1Cl)[NH+]1CCCCC1 ZINC000793705692 658429433 /nfs/dbraw/zinc/42/94/33/658429433.db2.gz BBCRIXUSTLQXEA-ZDUSSCGKSA-N 1 0 386.323 2.942 20 0 GFADRO Cc1nc(SC(F)F)sc1CC(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000793734768 658432053 /nfs/dbraw/zinc/43/20/53/658432053.db2.gz FECUPYQVDMNDSA-UHFFFAOYSA-N 1 0 393.525 2.614 20 0 GFADRO CCS[C@H]1CCC[C@H]1[NH2+]CC(=O)Nc1ccccc1S(=O)(=O)C(F)F ZINC000794605930 658575244 /nfs/dbraw/zinc/57/52/44/658575244.db2.gz UDSOPJJJBLQHDS-YPMHNXCESA-N 1 0 392.493 2.885 20 0 GFADRO CCC[N@H+](C)C[C@H]1CCN(Cn2c(=O)oc3cccc(Br)c32)C1 ZINC000794637053 658587897 /nfs/dbraw/zinc/58/78/97/658587897.db2.gz OTXULKRIVKATSQ-CYBMUJFWSA-N 1 0 382.302 2.978 20 0 GFADRO C[C@@H]1C[N@H+](Cn2ccc(=O)c3cccc(Br)c32)C[C@@]2(CCOC2)O1 ZINC000794708059 658599156 /nfs/dbraw/zinc/59/91/56/658599156.db2.gz XBHPOYYEVQAPCB-FZKQIMNGSA-N 1 0 393.281 2.601 20 0 GFADRO C[NH+](C)CCNC(=S)NCC1(c2ccc(Br)s2)CCC1 ZINC000795096224 658670966 /nfs/dbraw/zinc/67/09/66/658670966.db2.gz KMSNHSBCFHJHRZ-UHFFFAOYSA-N 1 0 376.389 2.958 20 0 GFADRO CCCCn1nc(C)c(C[NH2+]C[C@H]2CCCC[C@H]2NS(C)(=O)=O)c1Cl ZINC000796485303 658919522 /nfs/dbraw/zinc/91/95/22/658919522.db2.gz WVTPJAKDGGTTNT-GDBMZVCRSA-N 1 0 390.981 2.843 20 0 GFADRO CCCCn1nc(C)c(C[NH2+]C[C@H]2CCCC[C@@H]2NS(C)(=O)=O)c1Cl ZINC000796485306 658919561 /nfs/dbraw/zinc/91/95/61/658919561.db2.gz WVTPJAKDGGTTNT-ZBFHGGJFSA-N 1 0 390.981 2.843 20 0 GFADRO COC(=O)C[C@](C)([NH2+]C[C@@H]1CC2(CC2)C(=O)O1)c1ccc(Br)cc1 ZINC000796497824 658920017 /nfs/dbraw/zinc/92/00/17/658920017.db2.gz ORTBRLNYXPPUAS-YOEHRIQHSA-N 1 0 396.281 2.913 20 0 GFADRO CNC(=O)C[C@H]([NH2+]C[C@@H](O)c1ccc(Br)cc1)c1ccccc1 ZINC000796615125 658927925 /nfs/dbraw/zinc/92/79/25/658927925.db2.gz YXZUISIOARPQPT-DLBZAZTESA-N 1 0 377.282 2.950 20 0 GFADRO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@H]1N2C(=O)Cn1cc(Br)cn1 ZINC000797079917 658978461 /nfs/dbraw/zinc/97/84/61/658978461.db2.gz JVLDIDKZIUPYEX-NVXWUHKLSA-N 1 0 389.297 2.789 20 0 GFADRO C[C@H](C[C@H](C)[NH2+]CCn1cc(Br)cn1)NC(=O)OC(C)(C)C ZINC000797115370 658982466 /nfs/dbraw/zinc/98/24/66/658982466.db2.gz CYESTHSXCFKSIN-NWDGAFQWSA-N 1 0 375.311 2.927 20 0 GFADRO CC[NH+](CC)CC[C@@H](CO)NC(=O)C[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000798268175 659091044 /nfs/dbraw/zinc/09/10/44/659091044.db2.gz QYNZVPCIGHZGSF-HOTGVXAUSA-N 1 0 377.312 2.626 20 0 GFADRO C[C@@H](CNS(=O)(=O)c1cccc(Br)c1F)[NH+]1CCCCC1 ZINC000798429698 659103455 /nfs/dbraw/zinc/10/34/55/659103455.db2.gz IUQXURVCNIVZOV-NSHDSACASA-N 1 0 379.295 2.741 20 0 GFADRO CCc1noc(C)c1[C@@H](C)[NH2+]CCNS(=O)(=O)c1ccc(Cl)cc1F ZINC000799726165 659217639 /nfs/dbraw/zinc/21/76/39/659217639.db2.gz LTCJIECRODWTTM-SNVBAGLBSA-N 1 0 389.880 2.967 20 0 GFADRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)NC[C@H](O)c1cccc(Br)c1 ZINC000799938730 659247235 /nfs/dbraw/zinc/24/72/35/659247235.db2.gz FZDOTDSOSBWQBB-VBQJREDUSA-N 1 0 398.345 2.902 20 0 GFADRO C[C@@H](NC(=O)c1ccc(Br)s1)C(=O)OCCC[NH+]1CCCC1 ZINC000800141470 659275895 /nfs/dbraw/zinc/27/58/95/659275895.db2.gz AOFDTKCGPUXFOE-LLVKDONJSA-N 1 0 389.315 2.658 20 0 GFADRO Cc1c(C(=O)OCCC[NH+]2CCCC2)nnn1-c1cccc(Br)c1 ZINC000800145666 659276618 /nfs/dbraw/zinc/27/66/18/659276618.db2.gz ZOERXFHPAGENJA-UHFFFAOYSA-N 1 0 393.285 2.981 20 0 GFADRO COc1ccc(C(=O)OCCC[NH+]2CCCC2)c(I)c1 ZINC000800182677 659287480 /nfs/dbraw/zinc/28/74/80/659287480.db2.gz IKMCHFYWDVSGPI-UHFFFAOYSA-N 1 0 389.233 2.943 20 0 GFADRO C[C@H]([NH2+]C[C@H](O)c1cccc(Br)c1)c1ccc(-n2cnnn2)cc1 ZINC000800495525 659312892 /nfs/dbraw/zinc/31/28/92/659312892.db2.gz CODZLDOWHNRXBN-SJCJKPOMSA-N 1 0 388.269 2.809 20 0 GFADRO C[C@H]([NH2+]C[C@H](O)c1cccc(Br)c1)c1cccc(-n2cnnn2)c1 ZINC000800497461 659313011 /nfs/dbraw/zinc/31/30/11/659313011.db2.gz IKCXZDCGLYALAU-SJCJKPOMSA-N 1 0 388.269 2.809 20 0 GFADRO C[C@@H](Cn1cc(Br)cn1)[NH2+]CCCNC(=O)/C=C\c1ccccc1 ZINC000800504900 659313440 /nfs/dbraw/zinc/31/34/40/659313440.db2.gz HDRHJPZZRWBFGD-CDNLZTBQSA-N 1 0 391.313 2.843 20 0 GFADRO Cc1nn(C)c(Br)c1C(=O)N(CC[NH+](C)C)Cc1ccccc1 ZINC000801141780 659370920 /nfs/dbraw/zinc/37/09/20/659370920.db2.gz SDQJDJZZIVFIES-UHFFFAOYSA-N 1 0 379.302 2.695 20 0 GFADRO Cc1nn(C)c(Br)c1C(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1 ZINC000801141148 659371074 /nfs/dbraw/zinc/37/10/74/659371074.db2.gz FKAGJKMHJJOZRR-UHFFFAOYSA-N 1 0 397.292 2.834 20 0 GFADRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@@H](O)c1cccc(Br)c1 ZINC000801754406 659423910 /nfs/dbraw/zinc/42/39/10/659423910.db2.gz FZDOTDSOSBWQBB-JKIFEVAISA-N 1 0 398.345 2.902 20 0 GFADRO CCN1CC[C@@H]([NH2+]CCS(=O)(=O)C(C)C)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000801955791 659436537 /nfs/dbraw/zinc/43/65/37/659436537.db2.gz RKMJPUHTGNEAPQ-WBVHZDCISA-N 1 0 378.460 2.652 20 0 GFADRO CCN1CC[C@@H]([NH2+]CCCCS(C)(=O)=O)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000801955592 659436711 /nfs/dbraw/zinc/43/67/11/659436711.db2.gz QKAQKVQSAGRJIK-NVXWUHKLSA-N 1 0 378.460 2.654 20 0 GFADRO COc1ccc(Br)cc1CC(=O)OC[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC000802138629 659448637 /nfs/dbraw/zinc/44/86/37/659448637.db2.gz MBOUCHKZJKHQED-HNNXBMFYSA-N 1 0 386.286 2.653 20 0 GFADRO Cc1nc2ccc(Br)cn2c1C(=O)OC[C@H]1C[N@H+](C(C)C)CCO1 ZINC000802140453 659449018 /nfs/dbraw/zinc/44/90/18/659449018.db2.gz JVDOQCUMJULNDW-CQSZACIVSA-N 1 0 396.285 2.671 20 0 GFADRO Cn1nc(Br)cc1C(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000802382891 659481229 /nfs/dbraw/zinc/48/12/29/659481229.db2.gz XTPJQJOPLASOSF-GFCCVEGCSA-N 1 0 385.693 2.869 20 0 GFADRO CS[C@H]1CN(C(=O)c2cnn(Cc3ccccc3)c2Cl)C[C@H]1[NH+](C)C ZINC000802896285 659523933 /nfs/dbraw/zinc/52/39/33/659523933.db2.gz OQLNZKZATUXUTA-CVEARBPZSA-N 1 0 378.929 2.702 20 0 GFADRO C[C@H](CNS(=O)(=O)c1c(F)cccc1OC(F)(F)F)[NH+]1CCCCC1 ZINC000804961320 659704130 /nfs/dbraw/zinc/70/41/30/659704130.db2.gz QIFQGWKNQPIRLN-LLVKDONJSA-N 1 0 384.395 2.877 20 0 GFADRO O=S(=O)(N1CCC([NH2+][C@@H]2CCc3nc(Cl)ccc32)CC1)C(F)(F)F ZINC000806144429 659826342 /nfs/dbraw/zinc/82/63/42/659826342.db2.gz QIGIOUSTGBFYGO-LLVKDONJSA-N 1 0 383.823 2.626 20 0 GFADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N2CC[C@]3(C)[C@H](C2)C3(Cl)Cl)C1 ZINC000806322635 659829389 /nfs/dbraw/zinc/82/93/89/659829389.db2.gz BUCFFCXYWVYYBC-IJEWVQPXSA-N 1 0 378.344 2.569 20 0 GFADRO CCOC(=O)C(F)(F)[C@@H]1CC[C@@H]([NH2+]CCCn2cc(Br)cn2)C1 ZINC000806657566 659839225 /nfs/dbraw/zinc/83/92/25/659839225.db2.gz ADQIOSYJYSPQRY-DGCLKSJQSA-N 1 0 394.260 2.992 20 0 GFADRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1CN1C(=O)c2ccc(Br)cc2C1=O ZINC000808192682 659881211 /nfs/dbraw/zinc/88/12/11/659881211.db2.gz SFOZIISGCOHKNT-WBMJQRKESA-N 1 0 392.297 2.561 20 0 GFADRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]C[C@@H](O)c3cccc(Br)c3)[C@H]2C1 ZINC000808782688 659905909 /nfs/dbraw/zinc/90/59/09/659905909.db2.gz BFIWYUZWOBOVMR-LEUOFYLZSA-N 1 0 381.314 2.719 20 0 GFADRO CC(C)(C)OC(=O)NC1CC([NH2+]CCS(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000809609197 659934048 /nfs/dbraw/zinc/93/40/48/659934048.db2.gz ACJFQNQTGLPFAX-UHFFFAOYSA-N 1 0 388.917 2.759 20 0 GFADRO CC[NH+](CC)CCS(=O)(=O)N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 ZINC000810050590 659957771 /nfs/dbraw/zinc/95/77/71/659957771.db2.gz IHBMNDYHTUWCPW-GOSISDBHSA-N 1 0 388.961 2.757 20 0 GFADRO CC[C@@](C)(CC(=O)OC)[NH2+]Cc1cn(-c2ccccc2Br)nn1 ZINC000810147775 659964789 /nfs/dbraw/zinc/96/47/89/659964789.db2.gz RRTGOWMCBFWDHA-INIZCTEOSA-N 1 0 381.274 2.851 20 0 GFADRO C[C@H]([NH2+]CCCN1C(=O)NC2(CCCC2)C1=O)c1ccc(Br)nc1 ZINC000810207791 659966365 /nfs/dbraw/zinc/96/63/65/659966365.db2.gz OJJJQINMIYDEPA-LBPRGKRZSA-N 1 0 395.301 2.749 20 0 GFADRO COc1ccc(C(=O)NCC[NH2+][C@@H](C)c2ccc(Br)nc2)cc1 ZINC000810223757 659967167 /nfs/dbraw/zinc/96/71/67/659967167.db2.gz PVWMNVJOFZFMBJ-LBPRGKRZSA-N 1 0 378.270 2.933 20 0 GFADRO NS(=O)(=O)c1ccc2c(c1)[C@@H]([NH2+]C[C@@H](O)c1ccccc1Cl)CCC2 ZINC000810226212 659967213 /nfs/dbraw/zinc/96/72/13/659967213.db2.gz CEJFLWZAYGHZEO-ZWKOTPCHSA-N 1 0 380.897 2.688 20 0 GFADRO O=C(O[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(Br)cc1-n1cncn1 ZINC000810848953 659988304 /nfs/dbraw/zinc/98/83/04/659988304.db2.gz XUMBATVMFNBKEA-UONOGXRCSA-N 1 0 391.269 2.813 20 0 GFADRO CC(C)(C)OC(=O)NC[C@@](C)(O)C[NH2+]Cc1cc(Br)ccc1F ZINC000811812135 660015865 /nfs/dbraw/zinc/01/58/65/660015865.db2.gz NHDAUMAGVDHNJI-INIZCTEOSA-N 1 0 391.281 2.954 20 0 GFADRO Cn1cncc1CNC(=O)N1CCc2[nH]c3c(cccc3Br)c2C1 ZINC000811924607 660017779 /nfs/dbraw/zinc/01/77/79/660017779.db2.gz BWZASYAKCOSQMY-UHFFFAOYSA-N 1 0 388.269 2.932 20 0 GFADRO C[C@H]1CN(CCNC(=O)N2CC[C@H](Sc3cccc(Cl)c3)C2)CCO1 ZINC000813617164 660058222 /nfs/dbraw/zinc/05/82/22/660058222.db2.gz ONLWIZQVCLPPCT-YOEHRIQHSA-N 1 0 383.945 2.937 20 0 GFADRO COC(=O)[C@H]1CC[N@H+](C[C@](C)(O)c2ccc(Br)cc2Cl)C1 ZINC000815021171 660102728 /nfs/dbraw/zinc/10/27/28/660102728.db2.gz LYFNBHKVRNFVFK-BONVTDFDSA-N 1 0 376.678 2.805 20 0 GFADRO C[C@@](O)(C[N@@H+]1CCC[C@@H](OCCO)C1)c1ccc(Br)cc1Cl ZINC000815048844 660107129 /nfs/dbraw/zinc/10/71/29/660107129.db2.gz QCIRAGZLPLAELY-CZUORRHYSA-N 1 0 392.721 2.783 20 0 GFADRO C[C@@](O)(C[N@@H+]1CCC[C@H](CC(N)=O)C1)c1ccc(Br)cc1Cl ZINC000815056044 660107871 /nfs/dbraw/zinc/10/78/71/660107871.db2.gz ZNGZCDAEGJXJTN-BDJLRTHQSA-N 1 0 389.721 2.897 20 0 GFADRO COC1(CO)CC[NH+](C[C@@](C)(O)c2ccc(Br)cc2Cl)CC1 ZINC000815102363 660112264 /nfs/dbraw/zinc/11/22/64/660112264.db2.gz HKEDVOSPASFFRZ-OAHLLOKOSA-N 1 0 392.721 2.783 20 0 GFADRO Cc1ccc(-n2nc(Br)cc2C(=O)N2CC[C@H]3C[N@@H+](C)C[C@H]32)cc1 ZINC000816953545 660174515 /nfs/dbraw/zinc/17/45/15/660174515.db2.gz JCCXCJGUPOOADC-XJKSGUPXSA-N 1 0 389.297 2.719 20 0 GFADRO C[NH+](C)C1CCC(NS(=O)(=O)c2cnc(Cl)c(Br)c2)CC1 ZINC000817146174 660183187 /nfs/dbraw/zinc/18/31/87/660183187.db2.gz FPVWEKIQDVFFSB-UHFFFAOYSA-N 1 0 396.738 2.649 20 0 GFADRO O=C(NCCc1ccc(Br)cc1F)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000841794440 661313399 /nfs/dbraw/zinc/31/33/99/661313399.db2.gz GIBIPDFCRSRYOR-QGZVFWFLSA-N 1 0 384.293 2.916 20 0 GFADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)Nc1cnc(Cl)c(C(F)(F)F)c1 ZINC000841800058 661314669 /nfs/dbraw/zinc/31/46/69/661314669.db2.gz GHDXWFDLOXVRMV-MNOVXSKESA-N 1 0 378.782 2.739 20 0 GFADRO C[C@]1(CCNC(=O)N2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)CC1(Cl)Cl ZINC000841913505 661317702 /nfs/dbraw/zinc/31/77/02/661317702.db2.gz RLOCTFFHCZPEJN-LZWOXQAQSA-N 1 0 378.344 2.888 20 0 GFADRO O=C(N[C@H]1CCC[NH2+]CC1)N1CCO[C@@H](c2ccccc2Br)C1 ZINC000841977058 661318761 /nfs/dbraw/zinc/31/87/61/661318761.db2.gz GLVKRZFIJQMNGB-XJKSGUPXSA-N 1 0 382.302 2.674 20 0 GFADRO C[C@H](NC(=O)N[C@H]1C[NH2+]CCC1(F)F)[C@@H](O)c1c(Cl)cccc1Cl ZINC000842006020 661319435 /nfs/dbraw/zinc/31/94/35/661319435.db2.gz UOPJMGKSWMUWSF-LJUAHTATSA-N 1 0 382.238 2.712 20 0 GFADRO O=C(NCC[C@@H](O)c1ccc(Cl)c(Cl)c1)N[C@H]1C[NH2+]CCC1(F)F ZINC000842003035 661319507 /nfs/dbraw/zinc/31/95/07/661319507.db2.gz MHYJDCIPXWMFHO-OLZOCXBDSA-N 1 0 382.238 2.713 20 0 GFADRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)Nc1cnc(Cl)c(C(F)(F)F)c1 ZINC000842203022 661326837 /nfs/dbraw/zinc/32/68/37/661326837.db2.gz QLTLTKFODICDNB-SECBINFHSA-N 1 0 380.798 2.539 20 0 GFADRO COc1ccc2nc(Cl)ccc2c1S(=O)(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000842484939 661341709 /nfs/dbraw/zinc/34/17/09/661341709.db2.gz CLBSMASKDRMJMX-VXGBXAGGSA-N 1 0 383.901 2.502 20 0 GFADRO [NH3+][C@@H]1CN(S(=O)(=O)c2cnc(Cl)c(Cl)c2)C[C@H]1c1cccc(F)c1 ZINC000842485366 661341762 /nfs/dbraw/zinc/34/17/62/661341762.db2.gz RGQPNACHSRNIKU-GXTWGEPZSA-N 1 0 390.267 2.643 20 0 GFADRO O=C(CC[NH2+]Cc1cc(Br)cnc1Cl)NCc1cccnc1 ZINC000842674179 661348409 /nfs/dbraw/zinc/34/84/09/661348409.db2.gz KHTRYHKLFDEXIF-UHFFFAOYSA-N 1 0 383.677 2.689 20 0 GFADRO O[C@H]1CCC[C@@H]1[NH+]1CCC(NCc2cc(Br)cnc2Cl)CC1 ZINC000842691571 661349573 /nfs/dbraw/zinc/34/95/73/661349573.db2.gz IIYRUXSYADGVOR-GJZGRUSLSA-N 1 0 388.737 2.965 20 0 GFADRO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N(C)C1CCC([NH3+])CC1 ZINC000842737314 661351652 /nfs/dbraw/zinc/35/16/52/661351652.db2.gz HVJOARHGQOZZSA-GRTSSRMGSA-N 1 0 390.933 2.644 20 0 GFADRO CC(C)[N@@H+]1CCO[C@H](COC(=O)c2c3ccc(Br)cc3nn2C)C1 ZINC000842756163 661352847 /nfs/dbraw/zinc/35/28/47/661352847.db2.gz IXGQSSLMSDCXEU-ZDUSSCGKSA-N 1 0 396.285 2.602 20 0 GFADRO O=S(=O)(Cc1ccc(Br)cc1Cl)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000842897734 661359519 /nfs/dbraw/zinc/35/95/19/661359519.db2.gz JWMDTGLODXHYCZ-CQSZACIVSA-N 1 0 393.734 2.760 20 0 GFADRO O[C@H](C[NH2+]C[C@@H](O)c1ccccc1F)COc1ccc(Br)cc1 ZINC000843067542 661366034 /nfs/dbraw/zinc/36/60/34/661366034.db2.gz ZGYBKSQPDPYIHQ-CXAGYDPISA-N 1 0 384.245 2.651 20 0 GFADRO CC(C)(C)OC(=O)NCC[C@H](O)C[NH2+]C[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000843080815 661366764 /nfs/dbraw/zinc/36/67/64/661366764.db2.gz JFNFQMODWXDYNH-LSDHHAIUSA-N 1 0 393.311 2.892 20 0 GFADRO CC(C)(C)OC(=O)NC[C@](C)(O)C[NH2+]C[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000843079885 661366811 /nfs/dbraw/zinc/36/68/11/661366811.db2.gz FHAOMTJZBDKBJT-WMLDXEAASA-N 1 0 393.311 2.892 20 0 GFADRO CC(C)(C)OC(=O)NCC[C@H](O)C[NH2+]C[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000843080813 661366821 /nfs/dbraw/zinc/36/68/21/661366821.db2.gz JFNFQMODWXDYNH-GJZGRUSLSA-N 1 0 393.311 2.892 20 0 GFADRO O[C@@H](C[NH2+]C[C@H](O)COCc1ccccc1F)c1ccccc1Br ZINC000843092454 661367405 /nfs/dbraw/zinc/36/74/05/661367405.db2.gz DAVZJCWGLBFCRO-KSSFIOAISA-N 1 0 398.272 2.789 20 0 GFADRO O[C@@H](C[NH2+]CC[C@H](O)c1ccccc1)COc1ccc(Br)cc1 ZINC000843090365 661367467 /nfs/dbraw/zinc/36/74/67/661367467.db2.gz XXJLADLHSXZRFK-WMZOPIPTSA-N 1 0 380.282 2.902 20 0 GFADRO Cc1cc(F)ccc1[C@H](O)C[NH2+]C[C@@H](O)COc1ccccc1Br ZINC000843092697 661367484 /nfs/dbraw/zinc/36/74/84/661367484.db2.gz DMJRHTYGJPZUCE-RHSMWYFYSA-N 1 0 398.272 2.960 20 0 GFADRO OC[C@H](Cc1ccc(F)cc1)[NH2+]C[C@@H](O)c1ccc(F)c(Br)c1 ZINC000843097433 661367639 /nfs/dbraw/zinc/36/76/39/661367639.db2.gz ZEOCJUYAGNVBTA-WMLDXEAASA-N 1 0 386.236 2.954 20 0 GFADRO C[C@H](C[C@H](O)c1ccco1)[NH2+]C[C@@H](O)COc1ccc(Br)cc1 ZINC000843098627 661367932 /nfs/dbraw/zinc/36/79/32/661367932.db2.gz ABGPZNVEKFAWNH-XPKDYRNWSA-N 1 0 384.270 2.884 20 0 GFADRO OC[C@H](C[C@H](O)c1ccccc1)[NH2+]C[C@@H](O)c1ccccc1Br ZINC000843109588 661368478 /nfs/dbraw/zinc/36/84/78/661368478.db2.gz YVZOZTYTHRDYGG-JCGIZDLHSA-N 1 0 380.282 2.557 20 0 GFADRO O[C@H](C[NH2+][C@H]1COc2ccccc2[C@@H]1O)COc1cc(Cl)ccc1Cl ZINC000843115877 661369442 /nfs/dbraw/zinc/36/94/42/661369442.db2.gz KRPFYCIYLFJSCV-MRAWALMUSA-N 1 0 384.259 2.817 20 0 GFADRO OCC1([C@@H]([NH2+]C[C@@H](O)c2cccc(Br)c2)C2CC2)CCOCC1 ZINC000843116542 661369653 /nfs/dbraw/zinc/36/96/53/661369653.db2.gz ZBWRMSAIQNFFBK-SJORKVTESA-N 1 0 384.314 2.640 20 0 GFADRO OCC1([C@H]([NH2+]C[C@@H](O)c2cccc(Br)c2)[C@@H]2CCCO2)CCC1 ZINC000843118424 661369754 /nfs/dbraw/zinc/36/97/54/661369754.db2.gz ZDARFUVOQCVRJI-IXDOHACOSA-N 1 0 384.314 2.782 20 0 GFADRO Cc1cc(COc2ccc(-c3nc(CC[NH3+])no3)cc2Br)on1 ZINC000843131192 661370454 /nfs/dbraw/zinc/37/04/54/661370454.db2.gz OCMZIXOYRPXLKR-UHFFFAOYSA-N 1 0 379.214 2.876 20 0 GFADRO CC(=O)N[C@H](Cc1nc([C@H]([NH3+])C(C)C)no1)c1ccc(Br)cc1 ZINC000843154573 661371077 /nfs/dbraw/zinc/37/10/77/661371077.db2.gz YVDHTUAVSVOIDI-UKRRQHHQSA-N 1 0 381.274 2.908 20 0 GFADRO Brc1ccc(Cc2noc(-c3cn(C4CC[NH2+]CC4)nn3)n2)s1 ZINC000843200737 661371725 /nfs/dbraw/zinc/37/17/25/661371725.db2.gz RYAGGRAOLHJGOQ-UHFFFAOYSA-N 1 0 395.286 2.667 20 0 GFADRO COc1cc(Cc2noc(CCC[NH3+])n2)c(Br)cc1OC(F)F ZINC000843203662 661372348 /nfs/dbraw/zinc/37/23/48/661372348.db2.gz VXCXWVJWEULQSL-UHFFFAOYSA-N 1 0 392.200 2.924 20 0 GFADRO O=C(Cc1noc(CC[C@@H]2CC[NH2+]C2)n1)Nc1ccccc1Br ZINC000843218977 661373465 /nfs/dbraw/zinc/37/34/65/661373465.db2.gz NPBXNRINRXGCQT-LLVKDONJSA-N 1 0 379.258 2.555 20 0 GFADRO O=C(Cc1noc(C[C@@H]2CSCC[NH2+]2)n1)Nc1ccc(Cl)cc1Cl ZINC000843218094 661373503 /nfs/dbraw/zinc/37/35/03/661373503.db2.gz WYZDIMCIYQQSAC-SNVBAGLBSA-N 1 0 387.292 2.805 20 0 GFADRO Brc1cccc(-c2nc(-c3noc(C[C@H]4CCC[NH2+]4)n3)n[nH]2)c1 ZINC000843228294 661374047 /nfs/dbraw/zinc/37/40/47/661374047.db2.gz SBOZYOAVANCFGN-LLVKDONJSA-N 1 0 375.230 2.579 20 0 GFADRO Brc1cccc(-c2nc(-c3noc(C4CC[NH2+]CC4)n3)n[nH]2)c1 ZINC000843227533 661374182 /nfs/dbraw/zinc/37/41/82/661374182.db2.gz CTUUONPRWDBBGW-UHFFFAOYSA-N 1 0 375.230 2.751 20 0 GFADRO CC[NH2+]CC1CCN(C(=O)/C=C\c2ccc(I)o2)CC1 ZINC000843352695 661378485 /nfs/dbraw/zinc/37/84/85/661378485.db2.gz KJIIFFLSTILBLU-XQRVVYSFSA-N 1 0 388.249 2.746 20 0 GFADRO CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)CO[C@H]1CCC[NH2+]C1 ZINC000843371335 661378883 /nfs/dbraw/zinc/37/88/83/661378883.db2.gz LDQQNMLKNWREHZ-LBPRGKRZSA-N 1 0 388.295 2.549 20 0 GFADRO O=C(CO[C@@H]1CCC[NH2+]C1)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000843386187 661379170 /nfs/dbraw/zinc/37/91/70/661379170.db2.gz JDSBODPPSHRZBT-JBLDHEPKSA-N 1 0 376.341 2.781 20 0 GFADRO O=C(CO[C@@H]1CCC[NH2+]C1)NCC1(c2ccc(Br)cc2)CCC1 ZINC000843397420 661379526 /nfs/dbraw/zinc/37/95/26/661379526.db2.gz MGZBUJHEFDJFQN-MRXNPFEDSA-N 1 0 381.314 2.756 20 0 GFADRO C[N@@H+]1CCC[C@H](N2CCN(Cc3cc(Br)cnc3Cl)CC2)C1 ZINC000843396388 661379672 /nfs/dbraw/zinc/37/96/72/661379672.db2.gz CKKILZMRIYZFII-HNNXBMFYSA-N 1 0 387.753 2.709 20 0 GFADRO C[NH+]1CCC2(CC1)CN(C(=O)C[C@@H](O)c1cc(Cl)cc(Cl)c1)CCO2 ZINC000844093254 661404274 /nfs/dbraw/zinc/40/42/74/661404274.db2.gz BPRIAOAFQWENKL-MRXNPFEDSA-N 1 0 387.307 2.740 20 0 GFADRO COCC[N@@H+]1CCN(C[C@H](O)c2ccc(F)c(Br)c2)C(C)(C)C1 ZINC000844431232 661420513 /nfs/dbraw/zinc/42/05/13/661420513.db2.gz CEIWTHQSLQPMLL-INIZCTEOSA-N 1 0 389.309 2.664 20 0 GFADRO CC(C)[C@H]1C[N@H+](C)CCN1CN1CC(c2ccc(Br)cc2)=CC1=O ZINC000844694669 661434255 /nfs/dbraw/zinc/43/42/55/661434255.db2.gz OBPPZQUTDWNSDQ-GOSISDBHSA-N 1 0 392.341 2.904 20 0 GFADRO CC(C)N1CCO[C@@H](C(=[NH2+])NOCc2cc(Br)cc(F)c2F)C1 ZINC000844765765 661438667 /nfs/dbraw/zinc/43/86/67/661438667.db2.gz DKKNKIPNTKVRBI-CYBMUJFWSA-N 1 0 392.244 2.835 20 0 GFADRO O=C(NCCC[C@@H]1CC1(Cl)Cl)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000845063382 661455068 /nfs/dbraw/zinc/45/50/68/661455068.db2.gz ISCBSJOMMXHCSY-SNPRPXQTSA-N 1 0 378.344 2.637 20 0 GFADRO C[NH+](C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)OC[C@]1(C)CC1(Cl)Cl ZINC000845240144 661463011 /nfs/dbraw/zinc/46/30/11/661463011.db2.gz SIEVLZCTWURUBR-NHYWBVRUSA-N 1 0 383.316 2.959 20 0 GFADRO O=C(NCCC[C@H]1CC1(Cl)Cl)N1CC[NH+](CC2CCOCC2)CC1 ZINC000845672337 661487846 /nfs/dbraw/zinc/48/78/46/661487846.db2.gz JQAMKRCCZTYIEK-HNNXBMFYSA-N 1 0 378.344 2.714 20 0 GFADRO CCCOc1c(Br)cc(C[NH2+]CC(=O)N(C)OCC)cc1OC ZINC000846064844 661529097 /nfs/dbraw/zinc/52/90/97/661529097.db2.gz NRUUYYPEEUWBCU-UHFFFAOYSA-N 1 0 389.290 2.746 20 0 GFADRO COc1cc([C@H](C)[NH2+][C@@H]2CCN(S(C)(=O)=O)C2)ccc1SC(F)F ZINC000846186694 661537196 /nfs/dbraw/zinc/53/71/96/661537196.db2.gz ZMUHODYTIQDJRP-CMPLNLGQSA-N 1 0 380.482 2.694 20 0 GFADRO Cc1ccc(NC(=O)N2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)c(Br)n1 ZINC000846307640 661544077 /nfs/dbraw/zinc/54/40/77/661544077.db2.gz SJXUWOXXNQVKSG-YDHLFZDLSA-N 1 0 397.317 2.903 20 0 GFADRO CC(C)(C)OC(=O)N1CCN([C@@H]2CC[N@H+](CC3(Br)CC3)C2)CC1 ZINC000846902715 661569691 /nfs/dbraw/zinc/56/96/91/661569691.db2.gz IGYXAYIYHNXOEB-CQSZACIVSA-N 1 0 388.350 2.541 20 0 GFADRO COC(=O)/C=C1/SCC(=O)N1CCC[NH2+][C@H](C)C1CCC(F)(F)CC1 ZINC000847072502 661575193 /nfs/dbraw/zinc/57/51/93/661575193.db2.gz CHTLBIKHVSZQIL-JXCQQFQQSA-N 1 0 376.469 2.770 20 0 GFADRO CSc1cc(Br)ccc1C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000847406066 661590871 /nfs/dbraw/zinc/59/08/71/661590871.db2.gz AAAGDGKUXZUERJ-QWHCGFSZSA-N 1 0 385.327 2.764 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)c2ccccc2S(=O)(=O)C(F)(F)F)C1 ZINC000847548901 661596639 /nfs/dbraw/zinc/59/66/39/661596639.db2.gz DMWXUTCJQQEOTI-NWDGAFQWSA-N 1 0 378.416 2.583 20 0 GFADRO O=C([C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CCn2c(Br)cnc2C1 ZINC000847912060 661616153 /nfs/dbraw/zinc/61/61/53/661616153.db2.gz ZQWYACIIWUWTTA-OAHLLOKOSA-N 1 0 389.297 2.510 20 0 GFADRO CN(CCC[NH+]1CCCC1)C(=O)c1ccccc1S(=O)(=O)C(F)(F)F ZINC000848032258 661621953 /nfs/dbraw/zinc/62/19/53/661621953.db2.gz FNBAXSNBTLCRGZ-UHFFFAOYSA-N 1 0 378.416 2.538 20 0 GFADRO Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000848439411 661648212 /nfs/dbraw/zinc/64/82/12/661648212.db2.gz PLZWOWKQYYIGSF-NSHDSACASA-N 1 0 378.757 2.652 20 0 GFADRO CCOCC[NH+]1CCN(Cn2cc(-c3ccc(Br)cc3)cn2)CC1 ZINC000848478575 661653268 /nfs/dbraw/zinc/65/32/68/661653268.db2.gz OUUQKUZKVCSBQZ-UHFFFAOYSA-N 1 0 393.329 2.924 20 0 GFADRO Cc1c(Br)cccc1CS(=O)(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000848600673 661667294 /nfs/dbraw/zinc/66/72/94/661667294.db2.gz TZNHIDDPVVOXPF-MRXNPFEDSA-N 1 0 387.343 2.663 20 0 GFADRO O=C(Cc1noc([C@H]2C[C@]23CCC[NH2+]C3)n1)Nc1ccccc1Br ZINC000848628729 661668858 /nfs/dbraw/zinc/66/88/58/661668858.db2.gz XXJMFPDMZQIBRI-DIFFPNOSSA-N 1 0 391.269 2.870 20 0 GFADRO COc1ccc(NC(=[NH2+])NC[C@@H](N2CCOCC2)C(F)(F)F)cc1Cl ZINC000849051873 661690527 /nfs/dbraw/zinc/69/05/27/661690527.db2.gz YPLQSNYJEHHMNY-CYBMUJFWSA-N 1 0 380.798 2.548 20 0 GFADRO CS(=O)(=O)c1ccc(CNC(=[NH2+])NCc2cccc(C(F)(F)F)c2)s1 ZINC000849088411 661691387 /nfs/dbraw/zinc/69/13/87/661691387.db2.gz KCBINCLXHQDVFW-UHFFFAOYSA-N 1 0 391.440 2.985 20 0 GFADRO CCOCCOC[C@H](O)CNC(=[NH2+])N[C@@H](C)c1ccc(Cl)cc1Cl ZINC000849092935 661691563 /nfs/dbraw/zinc/69/15/63/661691563.db2.gz MCGFPGDEJQNHCF-WCQYABFASA-N 1 0 378.300 2.582 20 0 GFADRO COC[C@@H](C)NC(=[NH2+])NCc1ccc(Cl)cc1I ZINC000849109090 661692418 /nfs/dbraw/zinc/69/24/18/661692418.db2.gz RRWZEALQITXHPU-MRVPVSSYSA-N 1 0 381.645 2.593 20 0 GFADRO C[C@H]1CCCN(C(=[NH2+])NCc2ccc(S(C)(=O)=O)c(C(F)(F)F)c2)C1 ZINC000849108877 661692430 /nfs/dbraw/zinc/69/24/30/661692430.db2.gz AUYXHYMBQMOACO-NSHDSACASA-N 1 0 377.432 2.865 20 0 GFADRO C[C@H](CN1C(=O)N[C@@H](c2ccccc2Br)C1=O)C[NH+]1CCCC1 ZINC000849351280 661708395 /nfs/dbraw/zinc/70/83/95/661708395.db2.gz FBYZLPJZUYOCAM-WFASDCNBSA-N 1 0 380.286 2.774 20 0 GFADRO O=C1N[C@H](c2ccccc2Br)C(=O)N1CCC[NH+]1CCCCC1 ZINC000849353029 661708892 /nfs/dbraw/zinc/70/88/92/661708892.db2.gz VXOZRUDGLKDLLV-OAHLLOKOSA-N 1 0 380.286 2.918 20 0 GFADRO O=C1N[C@H](c2ccccc2Br)C(=O)N1C1CC[NH+](C2CC2)CC1 ZINC000849353126 661709047 /nfs/dbraw/zinc/70/90/47/661709047.db2.gz ZKJBXIKYGYISGT-OAHLLOKOSA-N 1 0 378.270 2.669 20 0 GFADRO O=S(=O)(N1CCC([NH2+]Cc2cc3ccncc3s2)CC1)C(F)(F)F ZINC000850184223 661767040 /nfs/dbraw/zinc/76/70/40/661767040.db2.gz NMELVJIRZGCTCF-UHFFFAOYSA-N 1 0 379.429 2.700 20 0 GFADRO O=S1(=O)CCC([NH2+][C@H]2CSCc3ccc(Br)cc32)CC1 ZINC000850376610 661773447 /nfs/dbraw/zinc/77/34/47/661773447.db2.gz YZONTNDKAKHMDN-AWEZNQCLSA-N 1 0 376.341 2.904 20 0 GFADRO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]C[C@@H]1C(C)(C)C1(F)F ZINC000850394613 661774672 /nfs/dbraw/zinc/77/46/72/661774672.db2.gz WLUHJJZCEDJHOK-CMPLNLGQSA-N 1 0 381.876 2.585 20 0 GFADRO CCNS(=O)(=O)CC[NH2+][C@H](c1cc(F)cc(Br)c1)C(C)C ZINC000850443762 661776531 /nfs/dbraw/zinc/77/65/31/661776531.db2.gz SUSXGXZMTAVVNA-AWEZNQCLSA-N 1 0 381.311 2.814 20 0 GFADRO CN1CCO[C@H]([C@H]([NH2+]CC[S@](=O)CC(F)(F)F)c2ccc(Cl)cc2)C1 ZINC000850497426 661779543 /nfs/dbraw/zinc/77/95/43/661779543.db2.gz USKVPFKNJVIUDH-AYNSBQOLSA-N 1 0 398.878 2.612 20 0 GFADRO O=S(=O)(CC[NH2+][C@@H](C[C@@H]1CCOC1)c1ccc(F)cc1)CC(F)(F)F ZINC000850518133 661780211 /nfs/dbraw/zinc/78/02/11/661780211.db2.gz LGZVWJSVPVQIDI-WFASDCNBSA-N 1 0 383.407 2.860 20 0 GFADRO O=S(=O)(N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)c1ccc(Cl)nc1Cl ZINC000850590432 661782731 /nfs/dbraw/zinc/78/27/31/661782731.db2.gz IYAANRVISJOSMO-CHWSQXEVSA-N 1 0 386.304 2.812 20 0 GFADRO Cn1c(Cl)cnc1-c1csc(NC(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)n1 ZINC000850753718 661790358 /nfs/dbraw/zinc/79/03/58/661790358.db2.gz CCDDTTMUCHXVSZ-INIZCTEOSA-N 1 0 380.905 2.804 20 0 GFADRO C[C@@]1(C(=O)N2CCC3(CC[NH2+]CC3)CC2)CC1(Br)Br ZINC000851638655 661827457 /nfs/dbraw/zinc/82/74/57/661827457.db2.gz JDFZXFSRVBESBZ-LBPRGKRZSA-N 1 0 394.151 2.875 20 0 GFADRO CC1(C)OC[C@H](CC[N@H+](CCO)Cc2cc(Br)ccc2F)O1 ZINC000851751839 661830384 /nfs/dbraw/zinc/83/03/84/661830384.db2.gz WYDDOIPOQFAQNW-AWEZNQCLSA-N 1 0 376.266 2.924 20 0 GFADRO Cc1nn(C)c(Cl)c1S(=O)(=O)N1CCC2(CCC([NH+](C)C)CC2)CC1 ZINC000851812369 661833630 /nfs/dbraw/zinc/83/36/30/661833630.db2.gz IQQIJFPGSYRPJE-UHFFFAOYSA-N 1 0 388.965 2.657 20 0 GFADRO CO[C@@H]1CC[C@@H]([NH+]2CCN(CC(=O)Nc3ccc(Br)cc3)CC2)C1 ZINC000851816711 661834079 /nfs/dbraw/zinc/83/40/79/661834079.db2.gz WCEVTWPJQLLAIA-IAGOWNOFSA-N 1 0 396.329 2.573 20 0 GFADRO CC1(C)CN(Cc2ccccc2)CC[C@H]1[NH2+]CCn1cnc(Br)n1 ZINC000852018590 661849346 /nfs/dbraw/zinc/84/93/46/661849346.db2.gz NRZYJASFCVUPSZ-MRXNPFEDSA-N 1 0 392.345 2.931 20 0 GFADRO COC(=O)C[C@@](C)([NH2+]C[C@H]1COC(C)(C)O1)c1ccc(Br)cc1 ZINC000852043574 661850674 /nfs/dbraw/zinc/85/06/74/661850674.db2.gz DMUUMNJSLDXUCG-WMLDXEAASA-N 1 0 386.286 2.969 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)N1CCn2ncc(Br)c2C1)C1CCCCC1 ZINC000852110604 661853078 /nfs/dbraw/zinc/85/30/78/661853078.db2.gz QTXVGAKVGQCHKH-HNNXBMFYSA-N 1 0 398.349 2.681 20 0 GFADRO O=C(CC[N@@H+]1CCC2=C(CCC(=O)N2)C1)Nc1ccc(Br)cc1 ZINC000852297362 661859723 /nfs/dbraw/zinc/85/97/23/661859723.db2.gz HKNFOPQISMUYCC-UHFFFAOYSA-N 1 0 378.270 2.648 20 0 GFADRO CO[C@H](C[N@@H+]1CC[C@@]2(C)[C@@H](C1)C2(Br)Br)[C@@H]1CCOC1 ZINC000852334987 661860804 /nfs/dbraw/zinc/86/08/04/661860804.db2.gz DIYHLPJHSZDWAI-LPWJVIDDSA-N 1 0 397.151 2.866 20 0 GFADRO CO[C@@H]1CCC[C@H]([C@@H](CO)[NH2+]C[C@@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000852349359 661862053 /nfs/dbraw/zinc/86/20/53/661862053.db2.gz HCAULWIJZOQFTF-DPAVQSFQSA-N 1 0 392.323 2.889 20 0 GFADRO CCOP(=O)(OCC)[C@H](O)C[N@@H+]1CC[C@H](C(=O)OC)[C@@H]2CCCC[C@@H]21 ZINC000852493775 661865817 /nfs/dbraw/zinc/86/58/17/661865817.db2.gz TUWMQTFRXVNDFS-VGWMRTNUSA-N 1 0 377.418 2.625 20 0 GFADRO CC(C)(C)OC(=O)NC[C@](C)(O)C[NH2+][C@@H](CO)c1cccc(Cl)c1Cl ZINC000852678385 661870981 /nfs/dbraw/zinc/87/09/81/661870981.db2.gz CQVZHEJMELVGRH-SUMWQHHRSA-N 1 0 393.311 2.892 20 0 GFADRO O=C(CC[NH+]1CCC(N2CCOC2=O)CC1)Nc1ccc(Br)cc1 ZINC000852722165 661871830 /nfs/dbraw/zinc/87/18/30/661871830.db2.gz RKYHRAKPRPBKCM-UHFFFAOYSA-N 1 0 396.285 2.694 20 0 GFADRO CC(C)[C@H]([NH2+]C[C@H]1CCCN(S(C)(=O)=O)C1)[C@@H](O)c1ccc(Cl)cc1 ZINC000852730996 661872434 /nfs/dbraw/zinc/87/24/34/661872434.db2.gz HPBLDCKENSWSJB-JLSDUUJJSA-N 1 0 388.961 2.659 20 0 GFADRO CCO[C@H]1C[C@@]([NH3+])(C(=O)Nc2nc(-c3ncc(Cl)n3C)cs2)C1(C)C ZINC000852844938 661875766 /nfs/dbraw/zinc/87/57/66/661875766.db2.gz OMXDGDSHXAPLQA-MGPLVRAMSA-N 1 0 383.905 2.668 20 0 GFADRO C[C@]1(C(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)CC1(Br)Br ZINC000852873853 661876059 /nfs/dbraw/zinc/87/60/59/661876059.db2.gz FXIOHRGYVQNVTM-NTZNESFSSA-N 1 0 394.151 2.873 20 0 GFADRO CN([C@H](C[NH3+])C(F)(F)F)S(=O)(=O)/C=C/c1cccc(Br)c1 ZINC000853081833 661881665 /nfs/dbraw/zinc/88/16/65/661881665.db2.gz WUUOFFLXXDCCSC-MVIFTORASA-N 1 0 387.221 2.571 20 0 GFADRO CN([C@H](C[NH3+])C(F)(F)F)S(=O)(=O)/C=C/c1ccccc1Br ZINC000853080713 661881691 /nfs/dbraw/zinc/88/16/91/661881691.db2.gz DKWYJGHNJSDVJN-XUIVZRPNSA-N 1 0 387.221 2.571 20 0 GFADRO O[C@H](C[NH2+]Cc1ccc(Br)cc1N1CCOCC1)c1ccccn1 ZINC000853104122 661882520 /nfs/dbraw/zinc/88/25/20/661882520.db2.gz SKAOMUBBFFIJMX-GOSISDBHSA-N 1 0 392.297 2.504 20 0 GFADRO COc1ncc(Br)cc1CONC(=[NH2+])[C@@H]1COc2ccccc2O1 ZINC000853676677 661896877 /nfs/dbraw/zinc/89/68/77/661896877.db2.gz FUPMZFHKWHMUQW-AWEZNQCLSA-N 1 0 394.225 2.691 20 0 GFADRO COc1nc(-c2noc(C[C@@H]3[NH2+]Cc4ccccc43)n2)ncc1Br ZINC000854148735 661916576 /nfs/dbraw/zinc/91/65/76/661916576.db2.gz JCXJXKAXAFFUCF-LBPRGKRZSA-N 1 0 388.225 2.685 20 0 GFADRO O=C(NCCC[C@@H]1CC1(Cl)Cl)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000854220941 661919393 /nfs/dbraw/zinc/91/93/93/661919393.db2.gz CLYSQDQBEBOYJC-CABCVRRESA-N 1 0 378.344 2.857 20 0 GFADRO O=C(NCCC[C@@H]1CC1(Cl)Cl)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000854220943 661919420 /nfs/dbraw/zinc/91/94/20/661919420.db2.gz CLYSQDQBEBOYJC-HUUCEWRRSA-N 1 0 378.344 2.857 20 0 GFADRO C[C@H](OC(=O)[C@H]1CC1(Cl)Cl)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000854289051 661922084 /nfs/dbraw/zinc/92/20/84/661922084.db2.gz IOHSNKQDUHMNKE-NWANDNLSSA-N 1 0 385.291 2.503 20 0 GFADRO C[N@@H+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)c1cc(Cl)nc(C(F)(F)F)c1 ZINC000854642869 661944907 /nfs/dbraw/zinc/94/49/07/661944907.db2.gz RWUUQBSTIAAIFW-NEPJUHHUSA-N 1 0 377.794 2.689 20 0 GFADRO Cc1nc(SC(F)F)sc1CC(=O)N1CCOC[C@@H]1[C@@H]1CCC[N@H+]1C ZINC000854643616 661944911 /nfs/dbraw/zinc/94/49/11/661944911.db2.gz UHCUAFFWKYAXGA-NWDGAFQWSA-N 1 0 391.509 2.630 20 0 GFADRO C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1cnn(-c2ccccc2)c1Br ZINC000854654530 661945849 /nfs/dbraw/zinc/94/58/49/661945849.db2.gz LKQLPNKNCYIXTM-WFASDCNBSA-N 1 0 377.286 2.799 20 0 GFADRO Cc1c[nH+]ccc1N1CCC(C(=O)NCc2cc(Br)no2)CC1 ZINC000854707921 661950065 /nfs/dbraw/zinc/95/00/65/661950065.db2.gz MWFLGSPAXJWCKF-UHFFFAOYSA-N 1 0 379.258 2.673 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)[C@@H]2Cc3cc(Br)ccc3O2)C1 ZINC000855161823 661973902 /nfs/dbraw/zinc/97/39/02/661973902.db2.gz SFTMUNQQJICDAT-WBMJQRKESA-N 1 0 381.314 2.989 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)c2cn(-c3ccccc3Br)nn2)C1 ZINC000855287049 661983028 /nfs/dbraw/zinc/98/30/28/661983028.db2.gz HGHKZFLYQMBBJR-GFCCVEGCSA-N 1 0 392.301 2.632 20 0 GFADRO CCN(C(=O)/C=C\c1ccc(I)o1)[C@H]1CC[N@H+](CC)C1 ZINC000855490620 661993390 /nfs/dbraw/zinc/99/33/90/661993390.db2.gz NBBIJPJOVIMGGR-VFFGBVLKSA-N 1 0 388.249 2.840 20 0 GFADRO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)C(F)(F)c1cccc(Cl)c1Cl ZINC000855697284 662004317 /nfs/dbraw/zinc/00/43/17/662004317.db2.gz NERKQZGMDGUCCB-UHFFFAOYSA-N 1 0 396.265 2.564 20 0 GFADRO O=C([C@H]1CCC[N@@H+]1Cc1ccccc1)N1CCn2ncc(Br)c2C1 ZINC000856009359 662014616 /nfs/dbraw/zinc/01/46/16/662014616.db2.gz FCYFFBPBMQISSZ-MRXNPFEDSA-N 1 0 389.297 2.652 20 0 GFADRO Cc1nc(SC(F)F)sc1CC(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000856430670 662033538 /nfs/dbraw/zinc/03/35/38/662033538.db2.gz KHDFOIPSVDWXLL-LBPRGKRZSA-N 1 0 393.525 2.878 20 0 GFADRO COc1cc(C[N@@H+]2CC[C@H](Nc3cnc(Br)cn3)C2)cc(OC)c1 ZINC000856736459 662040141 /nfs/dbraw/zinc/04/01/41/662040141.db2.gz IBHBZNRHDYIJKT-ZDUSSCGKSA-N 1 0 393.285 2.943 20 0 GFADRO COc1cc(CONC(=[NH2+])[C@H]2COc3ccccc3O2)c(Br)cn1 ZINC000857243519 662069413 /nfs/dbraw/zinc/06/94/13/662069413.db2.gz MUTMDJCJDOJMAQ-CQSZACIVSA-N 1 0 394.225 2.691 20 0 GFADRO CN(OCC(F)(F)F)C(=O)C[NH2+]C[C@@H](O)c1ccc(Cl)cc1Cl ZINC000857242068 662069453 /nfs/dbraw/zinc/06/94/53/662069453.db2.gz OKQDKMNQLJLLSM-LLVKDONJSA-N 1 0 375.174 2.569 20 0 GFADRO COc1ccc(C[C@@H](CO)C[NH2+][C@H]2CCCc3cn[nH]c32)cc1Br ZINC000857868768 662092667 /nfs/dbraw/zinc/09/26/67/662092667.db2.gz BUEMOARUMXNYJU-CJNGLKHVSA-N 1 0 394.313 2.999 20 0 GFADRO O=C(NCC[NH2+][C@@H]1CCc2ccc(Cl)nc21)c1ccc(Br)cn1 ZINC000857914366 662094495 /nfs/dbraw/zinc/09/44/95/662094495.db2.gz KFGFWXHAWFZGRQ-GFCCVEGCSA-N 1 0 395.688 2.899 20 0 GFADRO CC(C)(C)OC(=O)NCC[NH2+][C@]1(CO)CCc2cc(Br)ccc2C1 ZINC000858240736 662105935 /nfs/dbraw/zinc/10/59/35/662105935.db2.gz RNNGUFSTINYBHZ-GOSISDBHSA-N 1 0 399.329 2.783 20 0 GFADRO Cc1cc(Br)cc(C[NH2+][C@@H]2CCCC[C@H]2NS(C)(=O)=O)c1 ZINC000858252616 662106140 /nfs/dbraw/zinc/10/61/40/662106140.db2.gz MPXUGTIHKUFPNN-HUUCEWRRSA-N 1 0 375.332 2.708 20 0 GFADRO C[C@@H](CC(=O)Nc1cccnc1Cl)[NH2+]Cc1c(C(F)(F)F)cnn1C ZINC000858453247 662111798 /nfs/dbraw/zinc/11/17/98/662111798.db2.gz QZXDJTLNAQIMQW-VIFPVBQESA-N 1 0 375.782 2.994 20 0 GFADRO CN(CCOCC[NH2+][C@@H]1CC[C@@H]2SCCS[C@H]12)C(=O)OC(C)(C)C ZINC000858501003 662113738 /nfs/dbraw/zinc/11/37/38/662113738.db2.gz VKJNRRBSFAOKOW-QLFBSQMISA-N 1 0 376.588 2.839 20 0 GFADRO COc1cc([C@H](C)[NH2+][C@@H]2CO[C@@H](C3CC3)C2)ccc1S(=O)(=O)C(F)F ZINC000858545921 662114666 /nfs/dbraw/zinc/11/46/66/662114666.db2.gz KOPNBLMPYRPTSN-LEWSCRJBSA-N 1 0 375.437 2.910 20 0 GFADRO C[C@@]1(Br)C[C@H]1C(=O)NCCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000858603884 662116111 /nfs/dbraw/zinc/11/61/11/662116111.db2.gz CUCCKPAKTLKFAY-PKOBYXMFSA-N 1 0 394.357 2.879 20 0 GFADRO COc1c(Br)cc(Cl)cc1S(=O)(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000858631402 662117307 /nfs/dbraw/zinc/11/73/07/662117307.db2.gz DJNJIAKPJGAFRQ-PSASIEDQSA-N 1 0 397.722 2.530 20 0 GFADRO C[C@]12C[NH2+]C[C@@]1(C)CN(S(=O)(=O)/C=C\c1cccc(Br)c1)C2 ZINC000858636888 662117610 /nfs/dbraw/zinc/11/76/10/662117610.db2.gz XFYWDQITNPEPDG-HCWFLXIUSA-N 1 0 385.327 2.681 20 0 GFADRO Cc1sc2c(nc(Cl)nc2NCC[N@@H+]2CC[C@H](O)C2)c1Br ZINC000858868830 662125464 /nfs/dbraw/zinc/12/54/64/662125464.db2.gz ROIYYPAWWPWSLJ-QMMMGPOBSA-N 1 0 391.722 2.894 20 0 GFADRO COC(=O)C[C@H]([NH2+][C@@H]1CCc2cc(Br)ccc2NC1=O)C1CC1 ZINC000859248904 662147628 /nfs/dbraw/zinc/14/76/28/662147628.db2.gz LVFGLASGKGXFLP-CABCVRRESA-N 1 0 381.270 2.634 20 0 GFADRO CSc1ccc(/C=C\C(=O)N2CCC(C[NH+]3CCN(C)CC3)CC2)s1 ZINC000859306942 662152044 /nfs/dbraw/zinc/15/20/44/662152044.db2.gz FUFLJUYDXQECFF-HYXAFXHYSA-N 1 0 379.595 2.969 20 0 GFADRO CC1(C)OC[C@H](CC[NH2+][C@@]2(CO)CCc3cc(Br)ccc3C2)O1 ZINC000859573721 662168286 /nfs/dbraw/zinc/16/82/86/662168286.db2.gz BIIRQEHOSLCLBS-WMZOPIPTSA-N 1 0 384.314 2.800 20 0 GFADRO C[NH+](C)C1CCN(CCNC(=O)/C=C/c2csc(C(F)(F)F)c2)CC1 ZINC000859883773 662177676 /nfs/dbraw/zinc/17/76/76/662177676.db2.gz LDZVBJZWWRUNDA-ONEGZZNKSA-N 1 0 375.460 2.922 20 0 GFADRO COc1ccc(Br)cc1CC(=O)OC[C@]1(C)C[C@H](OC)C[N@@H+]1C ZINC000861347526 662241358 /nfs/dbraw/zinc/24/13/58/662241358.db2.gz PKSJTTDZIXSSDP-YOEHRIQHSA-N 1 0 386.286 2.653 20 0 GFADRO CO[C@@H]1C[N@H+](C)[C@](C)(COC(=O)c2ccc(I)cc2)C1 ZINC000861339144 662241499 /nfs/dbraw/zinc/24/14/99/662241499.db2.gz PRIXBCYTISEHJE-ZFWWWQNUSA-N 1 0 389.233 2.557 20 0 GFADRO CO[C@H]1C[N@H+](C)[C@@](C)(COC(=O)c2csc(I)c2)C1 ZINC000861349255 662241800 /nfs/dbraw/zinc/24/18/00/662241800.db2.gz YJCPDIHYTUIFJJ-ZWNOBZJWSA-N 1 0 395.262 2.619 20 0 GFADRO Cc1csc(Sc2ccc(NC(=O)C(=O)N(C)C[C@@H](C)[NH3+])c(C)c2)n1 ZINC000861541003 662249435 /nfs/dbraw/zinc/24/94/35/662249435.db2.gz SKBGERLZUSALCZ-LLVKDONJSA-N 1 0 378.523 2.655 20 0 GFADRO C[C@@H]1CC[C@H](NC(=O)N2CCO[C@H](c3ccccc3Br)C2)C[NH2+]1 ZINC000861685654 662255026 /nfs/dbraw/zinc/25/50/26/662255026.db2.gz JCADPPZYEHIREI-WWGRRREGSA-N 1 0 382.302 2.673 20 0 GFADRO O=C(N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1)C(F)(F)c1cc(Cl)ccc1Cl ZINC000861719977 662255985 /nfs/dbraw/zinc/25/59/85/662255985.db2.gz RJAVXSQWTOOAQI-NWDGAFQWSA-N 1 0 379.234 2.753 20 0 GFADRO CC(C)[C@@H](CNC(=O)C(=O)N(C)C[C@H](C)[NH3+])Cc1ccc(Cl)cc1Cl ZINC000861731067 662256480 /nfs/dbraw/zinc/25/64/80/662256480.db2.gz PRKIIMDLCNMOQS-GXTWGEPZSA-N 1 0 388.339 2.730 20 0 GFADRO CC[C@@H](C(=O)N[C@H]1CCC[N@H+](CCCO)C1)c1ccc(Br)cc1 ZINC000861863534 662261646 /nfs/dbraw/zinc/26/16/46/662261646.db2.gz RKKYFRWJCZKJCX-DLBZAZTESA-N 1 0 383.330 2.906 20 0 GFADRO C[S@](=O)[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CC(F)(F)CN2C(=O)OC(C)(C)C)C1 ZINC000862410798 662286125 /nfs/dbraw/zinc/28/61/25/662286125.db2.gz ITLOUZQNNYXUJW-NEDDFCCUSA-N 1 0 380.501 2.910 20 0 GFADRO CC(C)(C)OC(=O)N1CC(F)(F)C[C@@H]1C[NH2+]CC[S@](=O)CC(F)(F)F ZINC000862409047 662286157 /nfs/dbraw/zinc/28/61/57/662286157.db2.gz NIINTSHNEPJGPZ-JUTIIYIPSA-N 1 0 394.406 2.532 20 0 GFADRO CCON(CC)C(=O)C[NH2+][C@@H](C)CC(=O)Nc1ccc(Br)cc1 ZINC000862453581 662288573 /nfs/dbraw/zinc/28/85/73/662288573.db2.gz XLSCXUUOLLJTFI-LBPRGKRZSA-N 1 0 386.290 2.556 20 0 GFADRO C[N@@H+]1CCCC[C@H](CNC(=O)c2ccc(C(F)(F)Br)nc2)C1 ZINC000862795732 662301896 /nfs/dbraw/zinc/30/18/96/662301896.db2.gz LSDRSWJZOFUMAP-LLVKDONJSA-N 1 0 376.245 2.988 20 0 GFADRO COc1ccc(Cc2noc(C3=CC[C@H]([NH3+])C3)n2)c(Br)c1OC ZINC000863668822 662343212 /nfs/dbraw/zinc/34/32/12/662343212.db2.gz WJEVBPUYXMCZFZ-NSHDSACASA-N 1 0 380.242 2.945 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)c2cc(Br)cnc2F)CC[C@H]1C(F)(F)F ZINC000864086948 662354035 /nfs/dbraw/zinc/35/40/35/662354035.db2.gz LVSRLSDLPVKMIR-OIBJUYFYSA-N 1 0 384.171 2.583 20 0 GFADRO CN1CC[NH+](CCCCNC(=O)/C=C/c2ccsc2C(F)(F)F)CC1 ZINC000864863560 662388942 /nfs/dbraw/zinc/38/89/42/662388942.db2.gz RNCSNZMLBVRPDN-SNAWJCMRSA-N 1 0 375.460 2.924 20 0 GFADRO O=C(NCCCC[NH+]1CCOCC1)c1cc(F)c(Br)cc1F ZINC000864886868 662389661 /nfs/dbraw/zinc/38/96/61/662389661.db2.gz BPSQKVSIUZGFIV-UHFFFAOYSA-N 1 0 377.229 2.570 20 0 GFADRO C[N@@H+]1CC[C@@H](CNC(=O)c2c(F)ccc(I)c2Cl)C1 ZINC000864960798 662392706 /nfs/dbraw/zinc/39/27/06/662392706.db2.gz RJAYSMOPBCNOEH-QMMMGPOBSA-N 1 0 396.631 2.765 20 0 GFADRO COCC[N@@H+]1CCCN(C(=O)[C@@H]2[C@@H]3Cc4ccc(Br)cc4[C@@H]32)CC1 ZINC000865010835 662394911 /nfs/dbraw/zinc/39/49/11/662394911.db2.gz WHGOPLLSGMQVLV-FGTMMUONSA-N 1 0 393.325 2.516 20 0 GFADRO CC(C)(O)C[N@@H+]1CC[C@H](NC(=S)Nc2cccc(OC(F)(F)F)c2)C1 ZINC000865243267 662407251 /nfs/dbraw/zinc/40/72/51/662407251.db2.gz MCKMBRDZRDPULQ-LBPRGKRZSA-N 1 0 377.432 2.717 20 0 GFADRO COc1ncc(Br)cc1CNCC(C)(C)[NH+]1CCC(OC)CC1 ZINC000865457229 662422599 /nfs/dbraw/zinc/42/25/99/662422599.db2.gz XQKYVUNBRSUQKM-UHFFFAOYSA-N 1 0 386.334 2.832 20 0 GFADRO OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1cccnc1Br ZINC000865473151 662423636 /nfs/dbraw/zinc/42/36/36/662423636.db2.gz KTYYKQBJFZXUFG-ROUUACIJSA-N 1 0 390.325 2.817 20 0 GFADRO C[C@@H](C[NH2+]Cc1cn(C[C@H]2CCCO2)nn1)Oc1ccc(Br)cc1 ZINC000865480659 662424164 /nfs/dbraw/zinc/42/41/64/662424164.db2.gz ANAZGGCJFVQODZ-SUMWQHHRSA-N 1 0 395.301 2.777 20 0 GFADRO COCc1nc2n(n1)C[C@@H]([NH2+]Cc1ccc(C)c(Br)c1C)CC2 ZINC000865492010 662424934 /nfs/dbraw/zinc/42/49/34/662424934.db2.gz SLRBXEQQEDBOIQ-AWEZNQCLSA-N 1 0 379.302 2.908 20 0 GFADRO C[C@@](O)(C[NH2+]Cc1ccc(Cl)c(S(N)(=O)=O)c1)c1cccc(Cl)c1 ZINC000865529767 662427119 /nfs/dbraw/zinc/42/71/19/662427119.db2.gz QKQBELRVAUDCAU-MRXNPFEDSA-N 1 0 389.304 2.638 20 0 GFADRO COCCCn1nccc1C[NH2+][C@](C)(CO)Cc1ccc(Br)cc1 ZINC000865714644 662438359 /nfs/dbraw/zinc/43/83/59/662438359.db2.gz AJOFBXSCUURTPZ-SFHVURJKSA-N 1 0 396.329 2.765 20 0 GFADRO COCO[C@H](C)c1cc(F)c(C[NH2+][C@@H]2COCC[C@H]2O)cc1Br ZINC000865750367 662441201 /nfs/dbraw/zinc/44/12/01/662441201.db2.gz ODIPEVOZBBAXQJ-UHNFBRDESA-N 1 0 392.265 2.509 20 0 GFADRO C[C@](CO)(Cc1ccc(Cl)cc1)[NH2+]Cc1cnc(N2CCOCC2)s1 ZINC000865771467 662442388 /nfs/dbraw/zinc/44/23/88/662442388.db2.gz IVSKHTRUVUURQX-GOSISDBHSA-N 1 0 381.929 2.716 20 0 GFADRO CC[NH+]1CCN([C@H](C)CNC(=O)/C=C\c2ccsc2C(F)(F)F)CC1 ZINC000865791485 662443677 /nfs/dbraw/zinc/44/36/77/662443677.db2.gz AWYHCPVQXIOVGI-DSYXLKISSA-N 1 0 375.460 2.922 20 0 GFADRO CC[C@H](C[C@H](C)O)[NH2+]Cc1cc(Br)ccc1O[C@H](C)C(=O)NC ZINC000865874172 662448959 /nfs/dbraw/zinc/44/89/59/662448959.db2.gz TZYHAYJSBFNEMQ-YWPYICTPSA-N 1 0 387.318 2.602 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(c3ncc(Cn4cc(Br)cn4)s3)CC[C@H]21 ZINC000866207347 662464301 /nfs/dbraw/zinc/46/43/01/662464301.db2.gz IEXRUWIIYMWCCO-BXUZGUMPSA-N 1 0 382.331 2.681 20 0 GFADRO CN1CC[NH+](C2CCN(c3ncc4scc(Br)c4n3)CC2)CC1 ZINC000866210803 662464707 /nfs/dbraw/zinc/46/47/07/662464707.db2.gz CEQAMXXITTXGOT-UHFFFAOYSA-N 1 0 396.358 2.670 20 0 GFADRO C/C(=C\c1ccc(Br)o1)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000866321017 662468057 /nfs/dbraw/zinc/46/80/57/662468057.db2.gz MQAXQDVBBMOTCI-OUKQBFOZSA-N 1 0 383.286 2.769 20 0 GFADRO Cc1ccc(CN(CC[NH+](C)C)S(=O)(=O)c2ccc(Cl)nc2F)o1 ZINC000866552854 662480083 /nfs/dbraw/zinc/48/00/83/662480083.db2.gz BXXVRPNCQBABEM-UHFFFAOYSA-N 1 0 375.853 2.528 20 0 GFADRO CC(C)(C[NH2+][C@@H]1CCCOc2c(Br)cccc21)CS(N)(=O)=O ZINC000866569972 662480780 /nfs/dbraw/zinc/48/07/80/662480780.db2.gz GBDQRFGTQMHOIU-CYBMUJFWSA-N 1 0 391.331 2.567 20 0 GFADRO Cn1ncc(I)c1C[NH2+][C@@H]1Cc2[nH]c3ccccc3c2C1 ZINC000866631663 662485889 /nfs/dbraw/zinc/48/58/89/662485889.db2.gz PGAUMHLOQBJTLW-JTQLQIEISA-N 1 0 392.244 2.763 20 0 GFADRO CN(CC(C)(C)C[NH3+])S(=O)(=O)c1oc2ccccc2c1Br ZINC000866742988 662493580 /nfs/dbraw/zinc/49/35/80/662493580.db2.gz VWLLGQKUIUEPPW-UHFFFAOYSA-N 1 0 375.288 2.801 20 0 GFADRO O=S(=O)(c1oc2ccccc2c1Br)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000866765295 662495691 /nfs/dbraw/zinc/49/56/91/662495691.db2.gz TZTHDLBJRLSTOQ-MRXNPFEDSA-N 1 0 399.310 2.960 20 0 GFADRO O=S(=O)(c1ccc2onc(Cl)c2c1)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000866766068 662495727 /nfs/dbraw/zinc/49/57/27/662495727.db2.gz HYUQMCOVPWZFIG-CHWSQXEVSA-N 1 0 383.901 2.882 20 0 GFADRO O=S(=O)(c1cccc(Br)c1Cl)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000866822781 662502097 /nfs/dbraw/zinc/50/20/97/662502097.db2.gz CXYSUXXVKKTJAA-GHMZBOCLSA-N 1 0 379.707 2.618 20 0 GFADRO O=S(=O)(c1c(Cl)cccc1Br)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000866824637 662502235 /nfs/dbraw/zinc/50/22/35/662502235.db2.gz NDSJEWYGRYDWRU-VXGBXAGGSA-N 1 0 379.707 2.618 20 0 GFADRO Cc1ccnc(N2CCN(S(=O)(=O)c3cc(Cl)cnc3Cl)CC2)c1 ZINC000866973566 662513662 /nfs/dbraw/zinc/51/36/62/662513662.db2.gz LGGGTDRVILKOJK-UHFFFAOYSA-N 1 0 387.292 2.603 20 0 GFADRO C[NH+]1CCC([C@H]2CCN(C(=O)c3cc(Br)cn4ccnc34)C2)CC1 ZINC000866977079 662514040 /nfs/dbraw/zinc/51/40/40/662514040.db2.gz LWQYMAJPRHJIPV-AWEZNQCLSA-N 1 0 391.313 2.901 20 0 GFADRO CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1sc(C(=O)OC)c(Cl)c1C ZINC000867349134 662544054 /nfs/dbraw/zinc/54/40/54/662544054.db2.gz OEQFDPFXRSNAAF-UHFFFAOYSA-N 1 0 394.946 2.601 20 0 GFADRO CS[C@@H]1CN(C(=O)c2ccc(N=S(C)(C)=O)cc2)C[C@@H]1[NH+]1CCCC1 ZINC000867383331 662546618 /nfs/dbraw/zinc/54/66/18/662546618.db2.gz VSDMQSZWFQMPAN-DLBZAZTESA-N 1 0 381.567 2.698 20 0 GFADRO COCCN(CC1CC[NH+](C)CC1)S(=O)(=O)c1cccc(C(F)F)c1 ZINC000867580709 662560755 /nfs/dbraw/zinc/56/07/55/662560755.db2.gz FWUCYFKJXYYDLD-UHFFFAOYSA-N 1 0 376.469 2.603 20 0 GFADRO Cc1nc(CS(=O)(=O)NCC2(c3ccccc3)CC[NH+](C)CC2)cs1 ZINC000867705257 662568213 /nfs/dbraw/zinc/56/82/13/662568213.db2.gz COUCDXHEHCIJPK-UHFFFAOYSA-N 1 0 379.551 2.535 20 0 GFADRO C[N@@H+]1CC[C@H]2CN(S(=O)(=O)c3c(Cl)cccc3Br)CC[C@H]21 ZINC000867809496 662578270 /nfs/dbraw/zinc/57/82/70/662578270.db2.gz RYEGAUQFRJQEFH-GXFFZTMASA-N 1 0 393.734 2.817 20 0 GFADRO C[C@@H](NC(=O)Cc1csc(NC(=O)c2cccs2)n1)C1CC[NH2+]CC1 ZINC000868004659 662591045 /nfs/dbraw/zinc/59/10/45/662591045.db2.gz AQYFKWVSDHCVHB-LLVKDONJSA-N 1 0 378.523 2.504 20 0 GFADRO C[C@H](NC(=O)c1nn(-c2ccc(F)cc2)cc1Br)C1CC[NH2+]CC1 ZINC000868008599 662591256 /nfs/dbraw/zinc/59/12/56/662591256.db2.gz HASSVJRLGZKIRF-NSHDSACASA-N 1 0 395.276 2.892 20 0 GFADRO COCCC1(NC(=O)CCc2cc(Br)cs2)CC[NH2+]CC1 ZINC000868042454 662592193 /nfs/dbraw/zinc/59/21/93/662592193.db2.gz QVCZLDQLAHQPLT-UHFFFAOYSA-N 1 0 375.332 2.718 20 0 GFADRO COCCC1(NC(=O)Cc2c(Cl)cccc2Br)CC[NH2+]CC1 ZINC000868043466 662592414 /nfs/dbraw/zinc/59/24/14/662592414.db2.gz IVGSEACMDUBNHA-UHFFFAOYSA-N 1 0 389.721 2.920 20 0 GFADRO C[C@@H](CNC(=O)NCc1ncc(Br)s1)[N@@H+]1CCCC[C@H]1C ZINC000868053382 662592749 /nfs/dbraw/zinc/59/27/49/662592749.db2.gz MBUCKEOISAMFMQ-MNOVXSKESA-N 1 0 375.336 2.968 20 0 GFADRO COC(=O)c1cc(NC(=O)N2CCC[C@H]3[NH2+]CC[C@H]32)ccc1Br ZINC000868143492 662596018 /nfs/dbraw/zinc/59/60/18/662596018.db2.gz SNYZKIUXXFFOLC-ZIAGYGMSSA-N 1 0 382.258 2.594 20 0 GFADRO C[C@H](CNC(=O)NCc1ncc(Br)s1)[N@@H+]1CCC[C@@H](C)C1 ZINC000868238104 662599238 /nfs/dbraw/zinc/59/92/38/662599238.db2.gz PMYHOMFSGVHIGH-GHMZBOCLSA-N 1 0 375.336 2.825 20 0 GFADRO COC[C@@H](NC(=O)NC[C@H]1CCC[N@H+](C)C1)c1cccc(Br)c1 ZINC000868367087 662603339 /nfs/dbraw/zinc/60/33/39/662603339.db2.gz DBOIWOYXJNNKBT-CZUORRHYSA-N 1 0 384.318 2.778 20 0 GFADRO CC(C)n1ncc(C(=O)N[C@H](C)C[N@H+](C)C(C)C)c1I ZINC000868445935 662605517 /nfs/dbraw/zinc/60/55/17/662605517.db2.gz POAVOGZTHQYBJY-LLVKDONJSA-N 1 0 392.285 2.527 20 0 GFADRO CN1CC[NH+](C2CCN(C(=O)NCc3ccc(Cl)c(Cl)c3)CC2)CC1 ZINC000868774175 662618375 /nfs/dbraw/zinc/61/83/75/662618375.db2.gz VNENDAFENZYLQJ-UHFFFAOYSA-N 1 0 385.339 2.915 20 0 GFADRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)c1cc(Br)ncc1Br ZINC000868928574 662625196 /nfs/dbraw/zinc/62/51/96/662625196.db2.gz ZGCSTNGVWWTSHJ-SECBINFHSA-N 1 0 391.107 2.773 20 0 GFADRO COCCN(CC1CC[NH+](C)CC1)C(=O)Cc1sccc1Br ZINC000869761538 662660365 /nfs/dbraw/zinc/66/03/65/662660365.db2.gz SYELAKKDQKKCOS-UHFFFAOYSA-N 1 0 389.359 2.870 20 0 GFADRO CC(=O)N[C@H](C(=O)OCCC[NH+]1CCCC1)c1cccc(Br)c1 ZINC000869977891 662669851 /nfs/dbraw/zinc/66/98/51/662669851.db2.gz ZIULRLCFBRXABW-INIZCTEOSA-N 1 0 383.286 2.655 20 0 GFADRO O=C(CC[NH2+]CC1CC1)NC[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000870873459 662704161 /nfs/dbraw/zinc/70/41/61/662704161.db2.gz KXIDUDPAGQXORT-OAHLLOKOSA-N 1 0 380.330 2.781 20 0 GFADRO C[C@H]1CC[N@H+](CC(=O)Nc2ccc(N3CC[C@H](CO)C3)c(Br)c2)C1 ZINC000870888498 662705445 /nfs/dbraw/zinc/70/54/45/662705445.db2.gz NLRZUWBLZSKGRQ-KBPBESRZSA-N 1 0 396.329 2.548 20 0 GFADRO [NH3+][C@@H](C(=O)N1CC[C@H](OCc2ccccn2)C1)c1cccc(Br)c1 ZINC000870905860 662707769 /nfs/dbraw/zinc/70/77/69/662707769.db2.gz FSFBCUAADUMKNU-DLBZAZTESA-N 1 0 390.281 2.662 20 0 GFADRO C[C@@H](NC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2)c1nc(-c2ccc(Br)cc2)no1 ZINC000870906523 662707779 /nfs/dbraw/zinc/70/77/79/662707779.db2.gz OLKDZSSEAUVLQG-CWPVMISGSA-N 1 0 391.269 2.804 20 0 GFADRO O=C(c1cc(Br)cn2ccnc12)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000870914762 662708069 /nfs/dbraw/zinc/70/80/69/662708069.db2.gz SUXCSZRFPPKAOK-KBPBESRZSA-N 1 0 391.313 2.949 20 0 GFADRO [NH3+][C@H](C(=O)NC[C@H](CCO)c1ccccc1)c1cccc(Br)c1 ZINC000870926143 662708688 /nfs/dbraw/zinc/70/86/88/662708688.db2.gz YPZKTFUCNIFBRW-RDJZCZTQSA-N 1 0 377.282 2.731 20 0 GFADRO [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)NCc2ccc(I)c(Cl)c2)C1 ZINC000870927158 662708771 /nfs/dbraw/zinc/70/87/71/662708771.db2.gz MKLNNCNUNYWYHK-IMSIIYSGSA-N 1 0 390.652 2.688 20 0 GFADRO CCCN(C(=O)[C@@H](NC(C)=O)c1cccc(Br)c1)C1CC[NH2+]CC1 ZINC000870938364 662709099 /nfs/dbraw/zinc/70/90/99/662709099.db2.gz MRLFDIHLQXLSKS-KRWDZBQOSA-N 1 0 396.329 2.617 20 0 GFADRO [NH3+]C[C@@H]1CC[C@H](NC(=O)c2c(F)ccc(I)c2Cl)C1 ZINC000870945959 662710577 /nfs/dbraw/zinc/71/05/77/662710577.db2.gz ZQCIYENEXYCOQU-SFYZADRCSA-N 1 0 396.631 2.941 20 0 GFADRO [NH3+][C@H]1CC[C@@H](C(=O)Nc2nc3cc(I)ccc3[nH]2)CC1 ZINC000870956840 662711495 /nfs/dbraw/zinc/71/14/95/662711495.db2.gz LSDBEMDJPSAMLU-WAAGHKOSSA-N 1 0 384.221 2.624 20 0 GFADRO [NH3+][C@H]1C[C@H](CNC(=O)CCc2ncc(-c3ccccc3Br)o2)C1 ZINC000870970395 662711904 /nfs/dbraw/zinc/71/19/04/662711904.db2.gz SWRYPDRPFPPGBE-HAQNSBGRSA-N 1 0 378.270 2.890 20 0 GFADRO CCO[C@@H]1C[C@]([NH3+])(C(=O)N[C@@H](COC)c2cccc(Br)c2)C1(C)C ZINC000871009364 662712735 /nfs/dbraw/zinc/71/27/35/662712735.db2.gz OSQZVOBOKDICOV-DAYGRLMNSA-N 1 0 399.329 2.785 20 0 GFADRO O=S(=O)(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)c1ccc(Cl)c(F)c1Cl ZINC000871812041 662734839 /nfs/dbraw/zinc/73/48/39/662734839.db2.gz YWXZTSNYYSPKTJ-JTQLQIEISA-N 1 0 397.299 2.570 20 0 GFADRO [NH3+]C[C@@H]1CN(S(=O)(=O)Cc2c(Cl)cccc2Cl)C[C@@H]1C(F)(F)F ZINC000871814661 662735546 /nfs/dbraw/zinc/73/55/46/662735546.db2.gz WDPDISIOKBKJRW-SCZZXKLOSA-N 1 0 391.242 2.892 20 0 GFADRO Cc1ncsc1CCS(=O)(=O)N1CCC[C@@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000871822777 662736081 /nfs/dbraw/zinc/73/60/81/662736081.db2.gz LWNNESJVTTVCKQ-DOTOQJQBSA-N 1 0 385.599 2.943 20 0 GFADRO O=C1N[C@@H](Cc2cncs2)C(=O)N1C[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000871897271 662740434 /nfs/dbraw/zinc/74/04/34/662740434.db2.gz RMNYPPNZQUXKGH-KBPBESRZSA-N 1 0 376.507 2.505 20 0 GFADRO C[C@@H]([NH2+][C@H](C)c1ccnn1C)C(=O)Nc1ccc(I)cc1 ZINC000871927176 662742864 /nfs/dbraw/zinc/74/28/64/662742864.db2.gz MRMFPKGWUYMHIS-GHMZBOCLSA-N 1 0 398.248 2.703 20 0 GFADRO C[C@@H](Nc1cc2n(n1)CC[N@H+](C)C2)C(=O)Nc1ccccc1Br ZINC000871928801 662742908 /nfs/dbraw/zinc/74/29/08/662742908.db2.gz LJMDOIJDLBENKF-LLVKDONJSA-N 1 0 378.274 2.530 20 0 GFADRO C[C@H](Nc1cc2n(n1)CC[N@H+](C)C2)C(=O)Nc1ccccc1Br ZINC000871928802 662742938 /nfs/dbraw/zinc/74/29/38/662742938.db2.gz LJMDOIJDLBENKF-NSHDSACASA-N 1 0 378.274 2.530 20 0 GFADRO Brc1cccc([C@@H]([NH2+]CCCN2CCOCC2)[C@H]2CCOC2)c1 ZINC000872017295 662753963 /nfs/dbraw/zinc/75/39/63/662753963.db2.gz YXYVIMRUMJRDMK-FUHWJXTLSA-N 1 0 383.330 2.839 20 0 GFADRO CC(C)(C)[C@@H]1C[C@H]([NH2+]CC2CCN(S(=O)(=O)C(F)(F)F)CC2)CCO1 ZINC000872033597 662754321 /nfs/dbraw/zinc/75/43/21/662754321.db2.gz CKHBUYKTJDRXLB-KGLIPLIRSA-N 1 0 386.480 2.731 20 0 GFADRO NC(=O)c1ccc(C[NH2+][C@@H](c2cccc(Br)c2)[C@H]2CCOC2)cn1 ZINC000872041054 662754596 /nfs/dbraw/zinc/75/45/96/662754596.db2.gz FVWZDGRSAVWGSX-YOEHRIQHSA-N 1 0 390.281 2.810 20 0 GFADRO CCn1cnnc1CC[NH2+][C@@H](c1cccc(Br)c1)[C@H]1CCOC1 ZINC000872045414 662754637 /nfs/dbraw/zinc/75/46/37/662754637.db2.gz LNOLLNFFBFKTHL-YOEHRIQHSA-N 1 0 379.302 2.970 20 0 GFADRO OCCCN1CCC[C@H]([NH2+][C@H](c2cccc(Br)c2)[C@@H]2CCOC2)C1 ZINC000872074416 662755294 /nfs/dbraw/zinc/75/52/94/662755294.db2.gz DPMQNXZRMCLDHD-NZSAHSFTSA-N 1 0 397.357 2.963 20 0 GFADRO C[C@H]([NH2+]CCC[C@H]1CCOC1=O)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000872114666 662756259 /nfs/dbraw/zinc/75/62/59/662756259.db2.gz XVRZPRXJGHZQNC-UWVGGRQHSA-N 1 0 395.308 2.635 20 0 GFADRO [NH3+]C[C@H]1CN(CC(=O)NCCc2cccc(Cl)c2Cl)C[C@H]1C(F)(F)F ZINC000872151010 662756866 /nfs/dbraw/zinc/75/68/66/662756866.db2.gz SUVGWDYUIFJTFU-NWDGAFQWSA-N 1 0 398.256 2.721 20 0 GFADRO [NH3+]C[C@@H]1CN([C@@H]2CCCN(c3ccccc3Cl)C2=O)C[C@H]1C(F)(F)F ZINC000872151758 662757026 /nfs/dbraw/zinc/75/70/26/662757026.db2.gz MLCWEHYNXSYKJC-LALPHHSUSA-N 1 0 375.822 2.904 20 0 GFADRO CC(C)(O)C[C@@H](O)C[NH2+]CC1(c2ccc(Br)cc2)CCOCC1 ZINC000872199950 662757748 /nfs/dbraw/zinc/75/77/48/662757748.db2.gz KZUOLQZWMKSYED-MRXNPFEDSA-N 1 0 386.330 2.609 20 0 GFADRO CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]C[C@@H](O)c3ccc(Br)cc3)[C@@H]2C1 ZINC000872208981 662758062 /nfs/dbraw/zinc/75/80/62/662758062.db2.gz WDBDMLISFFBRJR-DZOHQFGASA-N 1 0 381.314 2.719 20 0 GFADRO O[C@H](C[NH2+]C[C@@H]1CC2(CO1)CCOCC2)COc1cc(Cl)ccc1Cl ZINC000872229889 662758419 /nfs/dbraw/zinc/75/84/19/662758419.db2.gz CDWIHYJYQXMRMP-CABCVRRESA-N 1 0 390.307 2.908 20 0 GFADRO Cc1csc(C(=O)N2CC[NH2+]CCC2(C)C)c1I ZINC000872299140 662760026 /nfs/dbraw/zinc/76/00/26/662760026.db2.gz XVEGYPFRQHRNPU-UHFFFAOYSA-N 1 0 378.279 2.875 20 0 GFADRO CC[NH+](CC)CC1CCN(S(=O)(=O)c2cccc(Br)n2)CC1 ZINC000872455481 662768607 /nfs/dbraw/zinc/76/86/07/662768607.db2.gz SWDLHCUXYBZHHP-UHFFFAOYSA-N 1 0 390.347 2.587 20 0 GFADRO C[N@H+]1CC=C(CNS(=O)(=O)CCCc2ccc(C(F)(F)F)cc2)CC1 ZINC000872472540 662770719 /nfs/dbraw/zinc/77/07/19/662770719.db2.gz XUGMXNUHQJLVTH-UHFFFAOYSA-N 1 0 376.444 2.819 20 0 GFADRO COC(=O)[C@@]1(C)C[N@H+](Cn2ccc(=O)c3cccc(Br)c32)C[C@@H]1C ZINC000872635057 662781821 /nfs/dbraw/zinc/78/18/21/662781821.db2.gz IRMHJLLFASYFES-SGTLLEGYSA-N 1 0 393.281 2.853 20 0 GFADRO COc1cc2[nH+]ccc(N3CCC(CO)(CO)CC3)c2cc1Br ZINC000872678044 662784867 /nfs/dbraw/zinc/78/48/67/662784867.db2.gz PVXVYMFFLCFVIM-UHFFFAOYSA-N 1 0 381.270 2.577 20 0 GFADRO C[N@@H+]1CCN(CCNC(=O)NCc2ccc(C(F)(F)F)s2)CC1(C)C ZINC000873000004 662795817 /nfs/dbraw/zinc/79/58/17/662795817.db2.gz SYAQZUNFEQNVNY-UHFFFAOYSA-N 1 0 378.464 2.592 20 0 GFADRO NC(=O)[C@H]1CCC[C@@H]([NH2+]Cc2cccc(F)c2I)C1 ZINC000873056759 662797606 /nfs/dbraw/zinc/79/76/06/662797606.db2.gz ISPWRTNPHORXAI-GXSJLCMTSA-N 1 0 376.213 2.564 20 0 GFADRO C[NH+](C)CCn1ccc(NCc2cccc(F)c2I)n1 ZINC000873075374 662798858 /nfs/dbraw/zinc/79/88/58/662798858.db2.gz ZPHVKGFZZXJZAD-UHFFFAOYSA-N 1 0 388.228 2.801 20 0 GFADRO CSc1cc(Cl)ccc1NC(=O)C(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000873106200 662799977 /nfs/dbraw/zinc/79/99/77/662799977.db2.gz GGAQHCCQNJCFNE-WCBMZHEXSA-N 1 0 395.834 2.596 20 0 GFADRO COCC1([NH2+]Cc2cccc(F)c2I)CCOCC1 ZINC000873128533 662800713 /nfs/dbraw/zinc/80/07/13/662800713.db2.gz UFFWQCNZYKGMPM-UHFFFAOYSA-N 1 0 379.213 2.716 20 0 GFADRO COc1ccc(C[NH2+]CC2C[C@H]3CC[C@@H](C2)S3(=O)=O)cc1Br ZINC000873171788 662802708 /nfs/dbraw/zinc/80/27/08/662802708.db2.gz BMCLVTIIGLDNMH-AGUYFDCRSA-N 1 0 388.327 2.903 20 0 GFADRO O[C@H]1C[C@H](C[NH2+]Cc2cc(Cl)cc(Cl)c2OCCN2CCOCC2)C1 ZINC000873177674 662803032 /nfs/dbraw/zinc/80/30/32/662803032.db2.gz BNDBUQHELFQHJU-SAZUREKKSA-N 1 0 389.323 2.565 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(C(=O)NCc3cc(C(F)(F)F)cc(Cl)n3)CC[C@@H]21 ZINC000873183268 662803397 /nfs/dbraw/zinc/80/33/97/662803397.db2.gz BCHXLTCIKQFLQM-MFKMUULPSA-N 1 0 376.810 2.989 20 0 GFADRO COCCC1(NCc2cn(-c3ccc(Cl)cc3Cl)nn2)CC[NH2+]CC1 ZINC000873225076 662804181 /nfs/dbraw/zinc/80/41/81/662804181.db2.gz LZFVZCRXDWMOAK-UHFFFAOYSA-N 1 0 384.311 2.822 20 0 GFADRO [NH3+]C[C@@H]1CN(Cc2cnc3ccc(Br)cn23)C[C@@H]1C(F)(F)F ZINC000873227745 662804320 /nfs/dbraw/zinc/80/43/20/662804320.db2.gz LRYXLWKDMYPKOP-SKDRFNHKSA-N 1 0 377.208 2.666 20 0 GFADRO O=C(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)Nc1ccc(F)cc1Br ZINC000873303798 662804991 /nfs/dbraw/zinc/80/49/91/662804991.db2.gz KJTBDGMIRHLZRC-LBPRGKRZSA-N 1 0 386.265 2.868 20 0 GFADRO Cc1nc2cc(Br)cc(NC(=O)N3C[C@@H]4C[NH2+]C[C@]4(C)C3)c2o1 ZINC000873318670 662805374 /nfs/dbraw/zinc/80/53/74/662805374.db2.gz DPAWJACRYKZTON-MGPLVRAMSA-N 1 0 379.258 2.972 20 0 GFADRO CC(C)(C[NH+]1CCOCC1)C(=O)Nc1cc2c(cc1Br)OCCO2 ZINC000873876066 662816933 /nfs/dbraw/zinc/81/69/33/662816933.db2.gz PKKAMYLVWBBIPO-UHFFFAOYSA-N 1 0 399.285 2.517 20 0 GFADRO Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)/C=C1\SCC(=O)N1C ZINC000874260628 662826937 /nfs/dbraw/zinc/82/69/37/662826937.db2.gz GGSNXAVPTNUSRV-ZDLGFXPLSA-N 1 0 377.535 2.529 20 0 GFADRO C[C@H](NC(=O)C1(Br)CC1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000874263630 662827011 /nfs/dbraw/zinc/82/70/11/662827011.db2.gz KSCXYOGYTZAVCR-LBPRGKRZSA-N 1 0 384.293 2.682 20 0 GFADRO Cc1ccc([C@@H](CNC(=O)c2cc(N)nc(Br)c2)[NH+]2CCCC2)o1 ZINC000874270565 662827152 /nfs/dbraw/zinc/82/71/52/662827152.db2.gz YCILAOBFBOKKSK-CYBMUJFWSA-N 1 0 393.285 2.895 20 0 GFADRO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)Cc1ccccc1I ZINC000874837516 662837940 /nfs/dbraw/zinc/83/79/40/662837940.db2.gz KNGFXVUIFKRAGD-GJZGRUSLSA-N 1 0 384.261 2.529 20 0 GFADRO C[NH+](C)CCN(C(=O)c1cc2ncc(Br)cn2n1)C1CCCCC1 ZINC000875234740 662843745 /nfs/dbraw/zinc/84/37/45/662843745.db2.gz AOASLUVVRJUNSF-UHFFFAOYSA-N 1 0 394.317 2.828 20 0 GFADRO CC[C@@H](C[C@@H](C)O)NC(=O)NCCc1cn2cc(Br)cc(C)c2n1 ZINC000875488355 662846755 /nfs/dbraw/zinc/84/67/55/662846755.db2.gz WBILGFVRBJTYKE-OCCSQVGLSA-N 1 0 397.317 2.796 20 0 GFADRO C[NH+](C)CCN(Cc1ccco1)C(=O)NCc1ccc(Br)cn1 ZINC000876215117 662856920 /nfs/dbraw/zinc/85/69/20/662856920.db2.gz LOCNJAHSDFADHT-UHFFFAOYSA-N 1 0 381.274 2.711 20 0 GFADRO COC[C@@H](NC(=O)N1CC[C@H](C[NH+](C)C)C1)c1cccc(Br)c1 ZINC000876232538 662857546 /nfs/dbraw/zinc/85/75/46/662857546.db2.gz IOWATGPKWWVXIB-CZUORRHYSA-N 1 0 384.318 2.730 20 0 GFADRO C[C@@H]1CN(C(=O)NCc2ncc(Br)s2)CC[N@@H+](C2CCC2)C1 ZINC000876283310 662858766 /nfs/dbraw/zinc/85/87/66/662858766.db2.gz MNPHSQALJFWTFD-NSHDSACASA-N 1 0 387.347 2.921 20 0 GFADRO COc1ccccc1[C@@H]([NH3+])CNC(=O)c1cnn(C(C)C)c1Br ZINC000876508055 662862186 /nfs/dbraw/zinc/86/21/86/662862186.db2.gz ICFMOVWVEYDYRR-ZDUSSCGKSA-N 1 0 381.274 2.665 20 0 GFADRO Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)NCc1ccc(F)cc1Br ZINC000876606618 662863294 /nfs/dbraw/zinc/86/32/94/662863294.db2.gz GQWNGLXIZBXYIS-CQSZACIVSA-N 1 0 395.276 2.948 20 0 GFADRO O=C(NC1(c2ccc(Br)cc2)CCOCC1)[C@@H](F)[C@@H]1CC[NH2+]C1 ZINC000876611648 662863373 /nfs/dbraw/zinc/86/33/73/662863373.db2.gz NKFOYARHOVAXPQ-DOMZBBRYSA-N 1 0 385.277 2.519 20 0 GFADRO CC1(C)[C@H]([NH3+])C[C@H]1C(=O)NC1(c2cccc(Br)c2)CCOCC1 ZINC000876615830 662863560 /nfs/dbraw/zinc/86/35/60/662863560.db2.gz MGBAQLLCZJDJEP-LSDHHAIUSA-N 1 0 381.314 2.944 20 0 GFADRO COc1ccc(Br)cc1[C@H]1CCCN1C(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000876636614 662864043 /nfs/dbraw/zinc/86/40/43/662864043.db2.gz BKXGUQKSLYCHBN-SCRDCRAPSA-N 1 0 389.240 2.961 20 0 GFADRO Cn1ncc(C[NH3+])c1C(=O)N1CCO[C@H](c2cc(F)c(Cl)cc2Cl)C1 ZINC000876649032 662864239 /nfs/dbraw/zinc/86/42/39/662864239.db2.gz KMDIDWWSFVOMHV-AWEZNQCLSA-N 1 0 387.242 2.538 20 0 GFADRO C[C@H](NC(=O)[C@@H](F)[C@H]1CC[NH2+]C1)c1nc(-c2ccc(Br)cc2)no1 ZINC000876704731 662864984 /nfs/dbraw/zinc/86/49/84/662864984.db2.gz DIQFRYKEPKZNJU-GAFUQQFSSA-N 1 0 397.248 2.624 20 0 GFADRO [NH3+][C@H]1CC[C@@H](C(=O)NC[C@@H]2CCN(c3ccc(Br)cc3)C2)CC1 ZINC000876733440 662865682 /nfs/dbraw/zinc/86/56/82/662865682.db2.gz XXLULGVOUCFLNZ-OFQRWUPVSA-N 1 0 380.330 2.909 20 0 GFADRO Cc1ccnc(CN2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)c1Br ZINC000876782934 662866409 /nfs/dbraw/zinc/86/64/09/662866409.db2.gz WRPSBFWIWKNFRJ-WBVHZDCISA-N 1 0 381.362 2.610 20 0 GFADRO O=C(Nc1cnn(C2CC[NH2+]CC2)c1)c1nc(Br)sc1Cl ZINC000876804806 662866712 /nfs/dbraw/zinc/86/67/12/662866712.db2.gz UJDUTTFVXOXGGP-UHFFFAOYSA-N 1 0 390.694 2.932 20 0 GFADRO C[C@@H](Cc1cccc(Br)c1)[NH2+]Cc1cccc(S(N)(=O)=O)c1 ZINC000876968964 662868884 /nfs/dbraw/zinc/86/88/84/662868884.db2.gz LIUFQFJIRGWWKU-LBPRGKRZSA-N 1 0 383.311 2.817 20 0 GFADRO O=C(c1[nH]nc2c1C[NH2+]CC2)N(Cc1cccc(Br)c1)CC1CC1 ZINC000876989606 662869228 /nfs/dbraw/zinc/86/92/28/662869228.db2.gz ZPBMCFBNGTZXID-UHFFFAOYSA-N 1 0 389.297 2.870 20 0 GFADRO CCO[P@@](C)(=O)CC[C@H](C)[NH2+]Cc1ccc(N(C)S(C)(=O)=O)cc1 ZINC000877009411 662869547 /nfs/dbraw/zinc/86/95/47/662869547.db2.gz ZWPVUOSGPYCTJU-LFVRLGFBSA-N 1 0 376.459 2.895 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)c2sc(N3CCCC3)nc2Cl)CC[C@H]1C(F)(F)F ZINC000877016218 662869709 /nfs/dbraw/zinc/86/97/09/662869709.db2.gz DELPHBHLSWMXTI-VHSXEESVSA-N 1 0 396.866 2.996 20 0 GFADRO CN(CCOCC[NH3+])C(=O)c1ccc(-c2ccc(Br)cc2)n1C ZINC000877057632 662870278 /nfs/dbraw/zinc/87/02/78/662870278.db2.gz JWLHXVKNKVYPGL-UHFFFAOYSA-N 1 0 380.286 2.502 20 0 GFADRO C[C@@H]([NH2+]Cc1ccc(S(N)(=O)=O)cc1)[C@H](O)c1c(Cl)cccc1Cl ZINC000877068330 662870589 /nfs/dbraw/zinc/87/05/89/662870589.db2.gz OXDOWZMOTHLTRL-HWPZZCPQSA-N 1 0 389.304 2.853 20 0 GFADRO C[C@@H]([NH3+])CN(C)C(=O)c1ccc(NC(=O)c2ccc(Br)o2)cc1 ZINC000877100620 662871103 /nfs/dbraw/zinc/87/11/03/662871103.db2.gz VCZQSBNBPNJUFE-SNVBAGLBSA-N 1 0 380.242 2.714 20 0 GFADRO CCO[P@](C)(=O)CC[C@@H](C)[NH2+]CCNS(=O)(=O)c1cc(C)sc1C ZINC000877117012 662871346 /nfs/dbraw/zinc/87/13/46/662871346.db2.gz GHCIJYQREVEHIH-IPQOISQHSA-N 1 0 396.515 2.956 20 0 GFADRO O=C(c1cnn(-c2ccccc2)c1Br)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000877275526 662872897 /nfs/dbraw/zinc/87/28/97/662872897.db2.gz UHGCTYJGBXUNEB-LSDHHAIUSA-N 1 0 375.270 2.601 20 0 GFADRO O=C(c1cc(=O)[nH]c2c(Br)cccc12)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000877276665 662872903 /nfs/dbraw/zinc/87/29/03/662872903.db2.gz BGFRGFLOOINFTG-KGLIPLIRSA-N 1 0 376.254 2.669 20 0 GFADRO O=C(c1nn(-c2ccc(F)cc2)cc1Br)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000877278124 662872972 /nfs/dbraw/zinc/87/29/72/662872972.db2.gz LVVYMIHWEHSQEF-HUUCEWRRSA-N 1 0 393.260 2.740 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)Cc2cc(F)ccc2Br)C[C@H]1C(F)(F)F ZINC000877359369 662874549 /nfs/dbraw/zinc/87/45/49/662874549.db2.gz GOSUIHWNELJGOV-MWLCHTKSSA-N 1 0 383.183 2.726 20 0 GFADRO CC(C)c1n[nH]c(C(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)c1Br ZINC000877365366 662874749 /nfs/dbraw/zinc/87/47/49/662874749.db2.gz PVEOFYGHTJSTNL-SFYZADRCSA-N 1 0 383.212 2.505 20 0 GFADRO C[C@H](Oc1ccccc1Br)C(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000877367250 662874829 /nfs/dbraw/zinc/87/48/29/662874829.db2.gz ZYWDHZPFQMCZKV-AXFHLTTASA-N 1 0 395.219 2.812 20 0 GFADRO O=C(N[C@]12CCC[C@@H]1[NH2+]CC2)c1cc(F)c(F)cc1I ZINC000877394823 662875410 /nfs/dbraw/zinc/87/54/10/662875410.db2.gz URXNYXVXNNQRDD-JSGCOSHPSA-N 1 0 392.187 2.584 20 0 GFADRO O=C(N[C@]12CCC[C@H]1[NH2+]CC2)c1cc(=O)[nH]c2c(Br)cccc12 ZINC000877395424 662875545 /nfs/dbraw/zinc/87/55/45/662875545.db2.gz YLFILNPHRRLCDZ-DYVFJYSZSA-N 1 0 376.254 2.717 20 0 GFADRO COc1ccc(C[C@@H](CO)C[NH2+]Cc2nccc(C)c2Br)cc1O ZINC000877527057 662878077 /nfs/dbraw/zinc/87/80/77/662878077.db2.gz KQRMLAODNPSLDN-CQSZACIVSA-N 1 0 395.297 2.808 20 0 GFADRO COC(=O)c1ccc(C[NH2+][C@H](C)C[C@@H]2CCCC(=O)N2)c(Br)c1 ZINC000877527698 662878116 /nfs/dbraw/zinc/87/81/16/662878116.db2.gz NUZFPRWFUUDUKK-RISCZKNCSA-N 1 0 383.286 2.773 20 0 GFADRO O[C@@H](CC[NH2+]Cc1cn(C[C@@H]2CCCO2)nn1)c1ccc(Cl)c(Cl)c1 ZINC000877529048 662878226 /nfs/dbraw/zinc/87/82/26/662878226.db2.gz RDEYSHFRZJFMKW-YOEHRIQHSA-N 1 0 385.295 2.977 20 0 GFADRO O=[S@@](CC[NH2+]Cc1c(C(F)(F)F)nc2n1CCCC2)CC(F)(F)F ZINC000877622131 662880201 /nfs/dbraw/zinc/88/02/01/662880201.db2.gz GJJSSEXCCHDAKN-DEOSSOPVSA-N 1 0 377.354 2.639 20 0 GFADRO OC[C@@]1([NH2+]Cc2ccc(Cl)nn2)CCc2cc(Br)ccc2C1 ZINC000877652788 662880792 /nfs/dbraw/zinc/88/07/92/662880792.db2.gz OIDODUVPVMGYSM-MRXNPFEDSA-N 1 0 382.689 2.902 20 0 GFADRO COCC[N@@H+](Cc1cn2ccc(Br)cc2n1)CC1CC[NH+](C)CC1 ZINC000877664430 662881214 /nfs/dbraw/zinc/88/12/14/662881214.db2.gz OTXCLUVOYWJKCD-UHFFFAOYSA-N 1 0 395.345 2.887 20 0 GFADRO COc1cc(Br)c(C[NH2+]C[C@H]2CC3(CO2)CCOCC3)cc1O ZINC000877728547 662882572 /nfs/dbraw/zinc/88/25/72/662882572.db2.gz GDDLXPBKZPDQJS-CYBMUJFWSA-N 1 0 386.286 2.839 20 0 GFADRO O=C1NCCC12CC[NH+](CC1=Cc3cc(Br)ccc3OC1)CC2 ZINC000877783192 662883652 /nfs/dbraw/zinc/88/36/52/662883652.db2.gz IVFJXLSYHZSKNH-UHFFFAOYSA-N 1 0 377.282 2.827 20 0 GFADRO CC(C)([NH2+]C[C@@H](O)c1cc(Br)no1)C(=O)NCC1CCCCC1 ZINC000878333487 662894084 /nfs/dbraw/zinc/89/40/84/662894084.db2.gz VTEOOLZDFITVTI-GFCCVEGCSA-N 1 0 388.306 2.535 20 0 GFADRO OC[C@H]([NH2+]C[C@@H](O)C[C@H](O)c1ccccc1)c1cccc(Br)c1 ZINC000878397989 662895336 /nfs/dbraw/zinc/89/53/36/662895336.db2.gz UJBQMAJMKIVWBY-BZSNNMDCSA-N 1 0 380.282 2.557 20 0 GFADRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC[C@H](O)c1cc(Br)no1 ZINC000878445420 662896638 /nfs/dbraw/zinc/89/66/38/662896638.db2.gz GPOOBPROSLOOSE-BMFZPTHFSA-N 1 0 394.313 2.971 20 0 GFADRO C[C@@H]([NH2+]C[C@H](O)c1cc(Br)no1)c1ccc(Br)cn1 ZINC000878538211 662898497 /nfs/dbraw/zinc/89/84/97/662898497.db2.gz VLMSBSBKCBWSOW-XCBNKYQSSA-N 1 0 391.063 2.979 20 0 GFADRO CC(C)[NH2+][C@H]1CCCN(C(=O)[C@@]2(C)CC2(Br)Br)C1 ZINC000878578023 662899385 /nfs/dbraw/zinc/89/93/85/662899385.db2.gz PXZCNCPSJFLACB-CMPLNLGQSA-N 1 0 382.140 2.872 20 0 GFADRO C[C@](CO)([NH2+]C[C@@H](O)CC1(O)CCCCC1)c1ccc(Br)cc1 ZINC000878603058 662899987 /nfs/dbraw/zinc/89/99/87/662899987.db2.gz OTSCNSUFTKIXPP-DLBZAZTESA-N 1 0 386.330 2.692 20 0 GFADRO O[C@@H](CN1CCC([NH2+]Cc2ccccc2)CC1)c1cc(Br)no1 ZINC000878668335 662902061 /nfs/dbraw/zinc/90/20/61/662902061.db2.gz SBTGIEUKRXNVMB-HNNXBMFYSA-N 1 0 380.286 2.725 20 0 GFADRO Cn1cc([C@H]2C[N@H+](Cc3ncccc3Br)CC23CCOCC3)cn1 ZINC000878674275 662902151 /nfs/dbraw/zinc/90/21/51/662902151.db2.gz WBFXMGHMQFWSMR-OAHLLOKOSA-N 1 0 391.313 2.974 20 0 GFADRO C[N@H+](CCOc1ccc(S(N)(=O)=O)cc1F)CC[C@H]1CCCC1(F)F ZINC000878689683 662902468 /nfs/dbraw/zinc/90/24/68/662902468.db2.gz GPNRFIIIMVMKAA-GFCCVEGCSA-N 1 0 380.432 2.609 20 0 GFADRO C[N@H+](C[C@H](O)CC1(CO)CCCC1)C[C@@H](O)c1cccc(Br)c1 ZINC000878709725 662903301 /nfs/dbraw/zinc/90/33/01/662903301.db2.gz SIKOIFSPGJOTBD-IAGOWNOFSA-N 1 0 386.330 2.718 20 0 GFADRO C[C@@H]([NH2+]C(C)(C)CNC(=O)Cc1c(Br)cnn1C)c1ccccc1 ZINC000878717130 662903485 /nfs/dbraw/zinc/90/34/85/662903485.db2.gz VJIDDZQZOMHLKC-CYBMUJFWSA-N 1 0 393.329 2.971 20 0 GFADRO CCCSc1nsc(NC(=O)N(CCOC)CC2CC[NH+](C)CC2)n1 ZINC000878946165 662910632 /nfs/dbraw/zinc/91/06/32/662910632.db2.gz YMBMUONVFMWHDD-UHFFFAOYSA-N 1 0 387.575 2.862 20 0 GFADRO O=C(Nc1cccc(Br)n1)N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000879203666 662920520 /nfs/dbraw/zinc/92/05/20/662920520.db2.gz SJHKITMXUHCRAU-ZDUSSCGKSA-N 1 0 383.290 2.609 20 0 GFADRO Cc1ccc(Br)nc1C(=O)N1CCCN(c2cc[nH+]cc2)CC1 ZINC000880381651 662958909 /nfs/dbraw/zinc/95/89/09/662958909.db2.gz ARGAGMHYONKYQL-UHFFFAOYSA-N 1 0 375.270 2.900 20 0 GFADRO O=C(CC[N@@H+]1CCC[C@H]2CCNC(=O)[C@@H]21)Nc1ccc(Br)cc1F ZINC000880532119 662961648 /nfs/dbraw/zinc/96/16/48/662961648.db2.gz ZVZBYJDOJUIUCV-MEDUHNTESA-N 1 0 398.276 2.517 20 0 GFADRO C[C@H](NC(=O)C[NH+]1CCC2(CC1)COCCO2)c1ccc(Br)cc1 ZINC000880540582 662961873 /nfs/dbraw/zinc/96/18/73/662961873.db2.gz JIQICSGXRYZRLU-AWEZNQCLSA-N 1 0 397.313 2.508 20 0 GFADRO CSC1(CNC(=O)Nc2ccc3c(c2)SCC(=O)N3)CC[NH+](C)CC1 ZINC000880789465 662969402 /nfs/dbraw/zinc/96/94/02/662969402.db2.gz PEUCPKHABJSCJN-UHFFFAOYSA-N 1 0 380.539 2.680 20 0 GFADRO C[NH+](C)[C@@H](CNc1ccc2nnc(Br)n2n1)c1cccc(F)c1 ZINC000881755678 663001756 /nfs/dbraw/zinc/00/17/56/663001756.db2.gz FXAOLRLVUPRSEV-LBPRGKRZSA-N 1 0 379.237 2.741 20 0 GFADRO C[NH+](C)Cc1ccccc1CNS(=O)(=O)N=[S@](C)(=O)C1CCCCC1 ZINC000881764604 663002293 /nfs/dbraw/zinc/00/22/93/663002293.db2.gz MEZCWUADQYGTKR-XMMPIXPASA-N 1 0 387.571 2.513 20 0 GFADRO C[C@@H](CNc1ccc2nnc(Br)n2n1)[N@@H+]1CCc2sccc2C1 ZINC000881796350 663003712 /nfs/dbraw/zinc/00/37/12/663003712.db2.gz XDUKADNCXAEKHE-JTQLQIEISA-N 1 0 393.314 2.807 20 0 GFADRO CC[NH+](CC)CC1CCN(S(=O)(=O)N=[S@](C)(=O)C2CCCCC2)CC1 ZINC000881932976 663010349 /nfs/dbraw/zinc/01/03/49/663010349.db2.gz ZDEDGIOONLPRCU-XMMPIXPASA-N 1 0 393.619 2.716 20 0 GFADRO C[C@@H](Nc1cnn(CC(F)(F)F)c(=O)c1Br)C(C)(C)C[NH+](C)C ZINC000882015828 663013676 /nfs/dbraw/zinc/01/36/76/663013676.db2.gz FSRXYQVJQZIULJ-SECBINFHSA-N 1 0 399.255 2.956 20 0 GFADRO C[C@H](Nc1ccc2nnc(Br)n2n1)[C@H](c1ccccc1)[NH+](C)C ZINC000882284552 663023494 /nfs/dbraw/zinc/02/34/94/663023494.db2.gz WGXNNYZJGWXMIX-XHDPSFHLSA-N 1 0 375.274 2.990 20 0 GFADRO CC1([NH+]2CCC2)CCN(C(=O)[C@H]2Cc3cc(Br)ccc3O2)CC1 ZINC000882510025 663029570 /nfs/dbraw/zinc/02/95/70/663029570.db2.gz ZZNMIPWAGRZHKN-MRXNPFEDSA-N 1 0 379.298 2.839 20 0 GFADRO Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)N1CCC(C)([NH+]2CCC2)CC1 ZINC000882510827 663029610 /nfs/dbraw/zinc/02/96/10/663029610.db2.gz URVDWMQGPVXMQK-UHFFFAOYSA-N 1 0 378.826 2.951 20 0 GFADRO COc1nc(C)c(Br)cc1C(=O)N1CCC(C)([NH+]2CCC2)CC1 ZINC000882509605 663029614 /nfs/dbraw/zinc/02/96/14/663029614.db2.gz SQEMOTVBHFUJEN-UHFFFAOYSA-N 1 0 382.302 2.862 20 0 GFADRO C[C@H]1CN(S(=O)(=O)CC[C@H]2CC2(Cl)Cl)CCN1c1cc[nH+]cc1 ZINC000882619438 663033474 /nfs/dbraw/zinc/03/34/74/663033474.db2.gz KZFPDEVMUVLTCS-STQMWFEESA-N 1 0 378.325 2.506 20 0 GFADRO COC[C@H]([NH2+]Cc1cn2cc(Br)cc(C)c2n1)[C@@H]1CCCOC1 ZINC000883216328 663051556 /nfs/dbraw/zinc/05/15/56/663051556.db2.gz OJYJWPBWRDUCFA-CJNGLKHVSA-N 1 0 382.302 2.936 20 0 GFADRO C[C@@H]([NH2+][C@@H]1CCc2cc(Br)ccc2NC1=O)c1ccc(=O)[nH]n1 ZINC000883377141 663054224 /nfs/dbraw/zinc/05/42/24/663054224.db2.gz ACSJJYLXMTXIDB-YMTOWFKASA-N 1 0 377.242 2.549 20 0 GFADRO COc1cncc(C[NH2+][C@@H]2CCc3cc(Br)ccc3NC2=O)c1 ZINC000883386644 663054513 /nfs/dbraw/zinc/05/45/13/663054513.db2.gz KIEVXMZIDAZADI-MRXNPFEDSA-N 1 0 376.254 2.896 20 0 GFADRO CN(Cc1cc(Br)cs1)C(=O)CN1CC[NH2+]CCC12CCC2 ZINC000883458396 663055525 /nfs/dbraw/zinc/05/55/25/663055525.db2.gz HTRIZENKWRFOAW-UHFFFAOYSA-N 1 0 386.359 2.687 20 0 GFADRO [NH3+]CCN(CC(F)(F)F)S(=O)(=O)c1cc(Br)ccc1Cl ZINC000883472005 663055649 /nfs/dbraw/zinc/05/56/49/663055649.db2.gz ISAFCSCLGLWMOX-UHFFFAOYSA-N 1 0 395.628 2.614 20 0 GFADRO Cc1cc(NC(=O)N2CCc3sc(C[NH3+])nc3C2)cnc1Br ZINC000883553305 663057053 /nfs/dbraw/zinc/05/70/53/663057053.db2.gz PPSXGUBXDWJMHU-UHFFFAOYSA-N 1 0 382.287 2.658 20 0 GFADRO Cc1c(Br)nccc1NC(=O)N1CCc2sc(C[NH3+])nc2C1 ZINC000883567428 663057248 /nfs/dbraw/zinc/05/72/48/663057248.db2.gz ZCLXENYROQMORQ-UHFFFAOYSA-N 1 0 382.287 2.658 20 0 GFADRO [NH3+][C@@H]1CCCCCN(C(=O)Nc2cc(Br)cc3c2NC(=O)CO3)C1 ZINC000883593687 663057466 /nfs/dbraw/zinc/05/74/66/663057466.db2.gz PCXKXHPOWIXLQB-LLVKDONJSA-N 1 0 397.273 2.515 20 0 GFADRO [NH3+]C1CCC(NC(=O)c2cc(Br)nn2-c2ncccc2Cl)CC1 ZINC000884018832 663063864 /nfs/dbraw/zinc/06/38/64/663063864.db2.gz FIIGPFZEEURNOA-UHFFFAOYSA-N 1 0 398.692 2.683 20 0 GFADRO [NH3+][C@@H](C(=O)NC[C@H](CO)Cc1ccc(F)cc1)c1ccc(Br)cc1 ZINC000884080039 663064656 /nfs/dbraw/zinc/06/46/56/663064656.db2.gz IYBLYZWTTUSQCN-CXAGYDPISA-N 1 0 395.272 2.555 20 0 GFADRO CCOC(=O)C1CCC(NC(=O)[C@@H]([NH3+])c2ccc(Br)cc2)CC1 ZINC000884096366 663065113 /nfs/dbraw/zinc/06/51/13/663065113.db2.gz SLEGQNJCYWRZSD-ZALBZXLWSA-N 1 0 383.286 2.687 20 0 GFADRO CCc1c(NC(=O)[C@@H]([NH3+])CCOC)n[nH]c1-c1ccc(Br)cc1 ZINC000884135529 663065683 /nfs/dbraw/zinc/06/56/83/663065683.db2.gz MLUGTLUBACLMDK-ZDUSSCGKSA-N 1 0 381.274 2.704 20 0 GFADRO [NH3+][C@H](C(=O)N1CCN(c2ccc(O)cc2)CC1)c1ccc(Br)cc1 ZINC000884176176 663066515 /nfs/dbraw/zinc/06/65/15/663066515.db2.gz YLGIDXXGRLMPIU-KRWDZBQOSA-N 1 0 390.281 2.503 20 0 GFADRO CC1(C)C[NH2+]C[C@@H]1C(=O)NC1CCN(Cc2ccc(Br)cc2)CC1 ZINC000884232259 663067390 /nfs/dbraw/zinc/06/73/90/663067390.db2.gz MJTLNZYLIRXJCR-QGZVFWFLSA-N 1 0 394.357 2.775 20 0 GFADRO O=C(c1ccc(OC(F)F)c(Br)c1)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000884302936 663068481 /nfs/dbraw/zinc/06/84/81/663068481.db2.gz BUIGJFPDRNPQBL-CMPLNLGQSA-N 1 0 375.213 2.875 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CNC(=S)N1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000884345781 663069424 /nfs/dbraw/zinc/06/94/24/663069424.db2.gz OLGVOWNQKUXSRF-GOSISDBHSA-N 1 0 380.989 2.816 20 0 GFADRO [NH3+][C@@H](C(=O)N1CCC([C@@H](O)C(F)(F)F)CC1)c1ccc(Br)cc1 ZINC000884378565 663069687 /nfs/dbraw/zinc/06/96/87/663069687.db2.gz WOXNPDORCZZBLC-CHWSQXEVSA-N 1 0 395.219 2.611 20 0 GFADRO O=C(NCCC[NH2+]C1CC1)c1cc(Br)nn1-c1ncccc1Cl ZINC000884375978 663069708 /nfs/dbraw/zinc/06/97/08/663069708.db2.gz RTJFLMUGTHIGRE-UHFFFAOYSA-N 1 0 398.692 2.555 20 0 GFADRO CNC(=O)CC1(CNC(=O)[C@@H]([NH3+])c2ccc(Br)cc2)CCCCC1 ZINC000884413825 663070345 /nfs/dbraw/zinc/07/03/45/663070345.db2.gz DZARLEKUJXJMNF-INIZCTEOSA-N 1 0 396.329 2.652 20 0 GFADRO CC(C)c1ncc2c(n1)CCN(C(=O)[C@H]([NH3+])c1ccc(Br)cc1)C2 ZINC000884429764 663070594 /nfs/dbraw/zinc/07/05/94/663070594.db2.gz SOOXTVWOMPCOBO-MRXNPFEDSA-N 1 0 389.297 2.947 20 0 GFADRO O=C([C@@H]1C[C@H]1c1c[nH]cn1)N1CCC[C@](O)(c2ccc(Br)cc2)C1 ZINC000884969572 663081326 /nfs/dbraw/zinc/08/13/26/663081326.db2.gz JZWWTHDLBBGLKE-IIDMSEBBSA-N 1 0 390.281 2.786 20 0 GFADRO C[C@@H]1CN(c2cc[nH+]cc2)CCN1S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000885844871 663099010 /nfs/dbraw/zinc/09/90/10/663099010.db2.gz CQNRBANMLANILJ-LLVKDONJSA-N 1 0 387.292 2.683 20 0 GFADRO O=C(CCOc1cccc(Br)c1)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000885858793 663099236 /nfs/dbraw/zinc/09/92/36/663099236.db2.gz RBESRWBDCRZNJL-INIZCTEOSA-N 1 0 397.313 2.588 20 0 GFADRO O=C(NC[C@@H]1CC[N@@H+]1C1CCOCC1)c1cc2ccc(Br)cc2[nH]1 ZINC000885861248 663099454 /nfs/dbraw/zinc/09/94/54/663099454.db2.gz QUQZVJSAFBAAHV-HNNXBMFYSA-N 1 0 392.297 2.914 20 0 GFADRO C[C@@H](C(=O)NC[C@@H]1CC[N@@H+]1C1CCOCC1)c1ccc(Br)cc1 ZINC000885875997 663100085 /nfs/dbraw/zinc/10/00/85/663100085.db2.gz MPSFDJWFDRFQEU-DYVFJYSZSA-N 1 0 381.314 2.922 20 0 GFADRO O=C(NC[C@@H]1CC[N@@H+]1C1CCOCC1)c1c(F)ccc(Br)c1F ZINC000885883629 663100345 /nfs/dbraw/zinc/10/03/45/663100345.db2.gz XRTRVQPRHMBUQJ-NSHDSACASA-N 1 0 389.240 2.710 20 0 GFADRO O=C(NC[C@H]1CC[N@@H+]1C1CCOCC1)c1c(F)ccc(Br)c1F ZINC000885883628 663100388 /nfs/dbraw/zinc/10/03/88/663100388.db2.gz XRTRVQPRHMBUQJ-LLVKDONJSA-N 1 0 389.240 2.710 20 0 GFADRO O=C(NC[C@H]1CC[N@@H+]1C1CCOCC1)c1c(Cl)nc2cc(Cl)ccn21 ZINC000885891060 663100714 /nfs/dbraw/zinc/10/07/14/663100714.db2.gz OWJSLLLGMXNERP-CYBMUJFWSA-N 1 0 383.279 2.624 20 0 GFADRO O=C(c1ccc(Br)cc1)N1CC[NH+](C[C@@H]2C[C@]23CCOC3)CC1 ZINC000885980351 663102276 /nfs/dbraw/zinc/10/22/76/663102276.db2.gz ZHUMIQQNTFGVOG-YJBOKZPZSA-N 1 0 379.298 2.634 20 0 GFADRO OC[C@@H](C[NH2+][C@H]1CCOC2(CCOCC2)C1)Cc1ccc(Br)cc1 ZINC000886092304 663103096 /nfs/dbraw/zinc/10/30/96/663103096.db2.gz TUUCMRHCZQBOEX-AEFFLSMTSA-N 1 0 398.341 2.918 20 0 GFADRO O[C@H](C[NH2+]Cc1cc(Br)c(Br)s1)[C@@H]1CCCO1 ZINC000886168369 663104066 /nfs/dbraw/zinc/10/40/66/663104066.db2.gz OKRXAPYMUDGKST-ZJUUUORDSA-N 1 0 385.121 2.903 20 0 GFADRO CCOc1c(Br)cc(C[NH2+][C@@H](CO)C[C@H]2CCCO2)cc1OC ZINC000886231559 663105365 /nfs/dbraw/zinc/10/53/65/663105365.db2.gz GQSCTHMBHOSAOQ-ZIAGYGMSSA-N 1 0 388.302 2.876 20 0 GFADRO COc1cc(C[NH2+]C[C@H](O)Cc2ccccc2F)cc(Br)c1O ZINC000886231322 663105373 /nfs/dbraw/zinc/10/53/73/663105373.db2.gz BLJDZMHTNUYWDF-CYBMUJFWSA-N 1 0 384.245 2.996 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+][C@@H]1CC[C@@H](O)[C@@H](O)CC1 ZINC000886259802 663106343 /nfs/dbraw/zinc/10/63/43/663106343.db2.gz IMDFOKFCDPOOSQ-XGWQRUHWSA-N 1 0 394.313 2.697 20 0 GFADRO CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]C[C@@H]1CC[C@]2(CO[C@H](C)C2)O1 ZINC000886332230 663108304 /nfs/dbraw/zinc/10/83/04/663108304.db2.gz QKUIRMNIRHJDKG-XUWXXGDYSA-N 1 0 387.929 2.950 20 0 GFADRO CC[C@@H](CCc1ccc(Br)cc1)[NH2+]Cc1nnc2c(=O)[nH]ccn12 ZINC000886703529 663115931 /nfs/dbraw/zinc/11/59/31/663115931.db2.gz XGMDAUCHZXJFPL-AWEZNQCLSA-N 1 0 390.285 2.681 20 0 GFADRO CCC1([NH+]2CCC2)CCN([C@H](C(N)=O)c2ccc(Br)cc2)CC1 ZINC000886714870 663116096 /nfs/dbraw/zinc/11/60/96/663116096.db2.gz WTTIFVMXZPORDY-INIZCTEOSA-N 1 0 380.330 2.926 20 0 GFADRO Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+]CC1(S(=O)(=O)N(C)C)CC1 ZINC000886735172 663116423 /nfs/dbraw/zinc/11/64/23/663116423.db2.gz YPUBWPBQQRAXPU-GFCCVEGCSA-N 1 0 380.539 2.588 20 0 GFADRO C[C@@H](C(=O)NC1(c2ncc(Br)cn2)CCC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000886836654 663121309 /nfs/dbraw/zinc/12/13/09/663121309.db2.gz JPSOZBOVCYRMES-UPJWGTAASA-N 1 0 381.318 2.996 20 0 GFADRO CN(Cc1ccccc1Br)C(=O)C[N@@H+]1CC[C@H]([C@@H]2CCCO2)C1 ZINC000886839606 663121759 /nfs/dbraw/zinc/12/17/59/663121759.db2.gz IKCHMYIQWWPZCN-RDJZCZTQSA-N 1 0 381.314 2.908 20 0 GFADRO CN(Cc1ccccc1Br)C(=O)C[N@@H+]1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000886839607 663121827 /nfs/dbraw/zinc/12/18/27/663121827.db2.gz IKCHMYIQWWPZCN-WBVHZDCISA-N 1 0 381.314 2.908 20 0 GFADRO COC[C@H]([NH2+]CC(=O)NCCc1cccc(Cl)c1Cl)[C@H]1CCCOC1 ZINC000886910518 663124664 /nfs/dbraw/zinc/12/46/64/663124664.db2.gz RVIRZBXBLUCYDL-HOCLYGCPSA-N 1 0 389.323 2.683 20 0 GFADRO COC[C@H]([NH2+]CC(=O)N(C)Cc1cc(Cl)cc(Cl)c1)[C@H]1CCCOC1 ZINC000886910845 663124716 /nfs/dbraw/zinc/12/47/16/663124716.db2.gz WPKMJSZFWJCPMD-YOEHRIQHSA-N 1 0 389.323 2.983 20 0 GFADRO CCOC(=O)c1cc(NC(=O)NC[C@H]2C[NH2+]CCC2(F)F)ccc1Cl ZINC000886931419 663125105 /nfs/dbraw/zinc/12/51/05/663125105.db2.gz NZHRFZYVSVYEIH-SNVBAGLBSA-N 1 0 375.803 2.883 20 0 GFADRO O=C(NCC[C@@H]1CC[NH2+]C1)C(=O)Nc1cc(Br)c2ccccc2c1 ZINC000886982080 663127092 /nfs/dbraw/zinc/12/70/92/663127092.db2.gz FNRBFYKOZVKTSI-LBPRGKRZSA-N 1 0 390.281 2.657 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2cc(Br)c3ccccc3c2)CC[NH2+]1 ZINC000886984141 663127361 /nfs/dbraw/zinc/12/73/61/663127361.db2.gz RPQOZUWIUWPPFW-YPMHNXCESA-N 1 0 390.281 2.798 20 0 GFADRO CNC(=O)C1([NH2+]Cc2cc(Br)c3ccccc3c2)CCOCC1 ZINC000887091186 663132844 /nfs/dbraw/zinc/13/28/44/663132844.db2.gz COGMKBXFMXCJDD-UHFFFAOYSA-N 1 0 377.282 2.987 20 0 GFADRO C[C@H]1CCCN(Cc2csc(NC(=O)N[C@@H](CCO)C(F)(F)F)n2)C1 ZINC000887202798 663138923 /nfs/dbraw/zinc/13/89/23/663138923.db2.gz XEAAVVHNUQHBMP-JQWIXIFHSA-N 1 0 380.436 2.810 20 0 GFADRO O=C1C[C@H]([N@@H+]2CC[C@H]([C@@H]3CCCO3)C2)C(=O)N1c1ccc(Br)cc1 ZINC000887306722 663141283 /nfs/dbraw/zinc/14/12/83/663141283.db2.gz ZWUDMYKKJABKOZ-RCBQFDQVSA-N 1 0 393.281 2.582 20 0 GFADRO Cc1sc(NCC(F)F)nc1-c1cn(CCC[NH+]2CCSCC2)nn1 ZINC000887543198 663152219 /nfs/dbraw/zinc/15/22/19/663152219.db2.gz WIGQWOOBUIUAJA-UHFFFAOYSA-N 1 0 388.513 2.826 20 0 GFADRO C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)Nc1cccnc1Br ZINC000887909794 663168602 /nfs/dbraw/zinc/16/86/02/663168602.db2.gz DKMOJFIJDPCVTE-GFCCVEGCSA-N 1 0 376.258 2.982 20 0 GFADRO O=C(NCC1CC[NH+](Cc2cccs2)CC1)N[C@@H](CCO)C(F)(F)F ZINC000888008752 663175000 /nfs/dbraw/zinc/17/50/00/663175000.db2.gz IXJVMUNARUBXNH-AWEZNQCLSA-N 1 0 379.448 2.573 20 0 GFADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)Nc1ncccn1 ZINC000888677067 663210769 /nfs/dbraw/zinc/21/07/69/663210769.db2.gz ZMTCJWWSNVGAJG-UHFFFAOYSA-N 1 0 378.274 2.835 20 0 GFADRO C[C@H](CC(=O)N1CCN(C)CC[N@H+](C)CC1)c1ccc(Br)cc1 ZINC000888989566 663228525 /nfs/dbraw/zinc/22/85/25/663228525.db2.gz QUERKLFENZWYMG-OAHLLOKOSA-N 1 0 382.346 2.649 20 0 GFADRO C[N@@H+]1CCC[C@H](c2cccc(C(=O)NCc3ncc(Br)cn3)c2)C1 ZINC000889713775 663257926 /nfs/dbraw/zinc/25/79/26/663257926.db2.gz ZBOFBKGKAIBJCW-HNNXBMFYSA-N 1 0 389.297 2.978 20 0 GFADRO CCc1cc(C(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)ccc1Br ZINC000889741129 663262060 /nfs/dbraw/zinc/26/20/60/663262060.db2.gz AZSKGMWKZRJRIS-IRXDYDNUSA-N 1 0 381.314 2.683 20 0 GFADRO O=C(c1oc2ccccc2c1Br)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000889745708 663262648 /nfs/dbraw/zinc/26/26/48/663262648.db2.gz YQBXMBFADYIJGG-KGLIPLIRSA-N 1 0 393.281 2.867 20 0 GFADRO Cc1cc(CCC(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)ccc1Br ZINC000889770104 663265361 /nfs/dbraw/zinc/26/53/61/663265361.db2.gz XRICKSNHMINZIJ-ROUUACIJSA-N 1 0 395.341 2.748 20 0 GFADRO O=C(N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO)C1(c2ccc(Br)cc2)CC1 ZINC000889776280 663266147 /nfs/dbraw/zinc/26/61/47/663266147.db2.gz RAUNWNJZOYIPKL-SJORKVTESA-N 1 0 393.325 2.538 20 0 GFADRO C[C@@H](CNC(=O)C(=O)Nc1cc(Br)c2ccccc2c1)[NH+](C)C ZINC000889805290 663268051 /nfs/dbraw/zinc/26/80/51/663268051.db2.gz LRNPORNNBIUTMC-NSHDSACASA-N 1 0 378.270 2.607 20 0 GFADRO C[N@H+](CCCCNC(=O)C(=O)Nc1cccc(F)c1Br)C1CC1 ZINC000890320041 663295406 /nfs/dbraw/zinc/29/54/06/663295406.db2.gz XVFAAGUZQRVZMR-UHFFFAOYSA-N 1 0 386.265 2.517 20 0 GFADRO C[C@](CO)(NC(=O)C1CC[NH+](C2CC2)CC1)c1cccc(Br)c1 ZINC000890630817 663308533 /nfs/dbraw/zinc/30/85/33/663308533.db2.gz ULYDPQNVXKBQKA-GOSISDBHSA-N 1 0 381.314 2.647 20 0 GFADRO [NH3+]Cc1nc2c(s1)CCN(C(=O)NCCc1ccccc1Br)C2 ZINC000891461070 663340248 /nfs/dbraw/zinc/34/02/48/663340248.db2.gz SMELXAUXXZLPIR-UHFFFAOYSA-N 1 0 395.326 2.675 20 0 GFADRO CC(C)([NH3+])CCNC(=O)NCC1(c2ccc(Br)cc2)CCOCC1 ZINC000891478045 663340624 /nfs/dbraw/zinc/34/06/24/663340624.db2.gz HMVGXZDEKAIBDT-UHFFFAOYSA-N 1 0 398.345 2.924 20 0 GFADRO CC(C)(C[NH+]1CCN(CC(=O)NC2CC2)CC1)c1ccc(Br)cc1 ZINC000891520315 663342082 /nfs/dbraw/zinc/34/20/82/663342082.db2.gz GCPIEZLPEQUGCC-UHFFFAOYSA-N 1 0 394.357 2.623 20 0 GFADRO C[C@H](NC(=O)N1C[C@@H]([NH3+])C[C@@H]1C)c1nc(-c2ccc(Br)cc2)no1 ZINC000891680042 663347028 /nfs/dbraw/zinc/34/70/28/663347028.db2.gz CKAOWOFYQVLSDM-KWBADKCTSA-N 1 0 394.273 2.691 20 0 GFADRO Cc1cc(Br)cn2cc(CNC(=O)N[C@H]3CC[C@H](C[NH3+])CC3)nc12 ZINC000891788194 663350553 /nfs/dbraw/zinc/35/05/53/663350553.db2.gz AJLYCTNYGJRJHC-MQMHXKEQSA-N 1 0 394.317 2.722 20 0 GFADRO [NH3+]C[C@H]1CC[C@H](NC(=O)N[C@@H]2COc3cc(F)c(Br)cc32)CC1 ZINC000891889046 663354471 /nfs/dbraw/zinc/35/44/71/663354471.db2.gz YUSXKIFXGSZZDQ-GPCCPHFNSA-N 1 0 386.265 2.838 20 0 GFADRO COC[C@H](NC(=O)N1CCc2sc(C[NH3+])nc2C1)c1cccc(Cl)c1 ZINC000891902690 663354840 /nfs/dbraw/zinc/35/48/40/663354840.db2.gz WDYOTKXAZDEFLX-AWEZNQCLSA-N 1 0 380.901 2.711 20 0 GFADRO COC[C@H](NC(=O)NCC1(C)CC[NH2+]CC1)c1cccc(Br)c1 ZINC000892054418 663360752 /nfs/dbraw/zinc/36/07/52/663360752.db2.gz VEXUTWQGZWANEZ-HNNXBMFYSA-N 1 0 384.318 2.826 20 0 GFADRO CC(=O)Nc1cc(Br)ccc1CN1CC[NH+](C2CCOCC2)CC1 ZINC000892092824 663361362 /nfs/dbraw/zinc/36/13/62/663361362.db2.gz YHHCYBNILPYXEY-UHFFFAOYSA-N 1 0 396.329 2.704 20 0 GFADRO CCC[NH+]1CCC(N(C)c2nc(C(=O)OCC)ncc2Br)CC1 ZINC000892161991 663364096 /nfs/dbraw/zinc/36/40/96/663364096.db2.gz VCLQYLDUTSVFAU-UHFFFAOYSA-N 1 0 385.306 2.726 20 0 GFADRO [NH3+]C1(CNC(=O)NCc2ccc(Br)cn2)C2CC3CC(C2)CC1C3 ZINC000892190432 663365260 /nfs/dbraw/zinc/36/52/60/663365260.db2.gz YORZVWOWLNFQSF-UHFFFAOYSA-N 1 0 393.329 2.797 20 0 GFADRO Cc1cc(N)nc(N2CCC(C(=O)Nc3ccc(Br)cc3)CC2)[nH+]1 ZINC000892194933 663365515 /nfs/dbraw/zinc/36/55/15/663365515.db2.gz KKVLIKHNFZFGFN-UHFFFAOYSA-N 1 0 390.285 2.985 20 0 GFADRO C[C@H](C[C@H](C)[NH3+])NC(=O)N(C)C[C@@H](O)COc1cc(Cl)cc(Cl)c1 ZINC000892200720 663365798 /nfs/dbraw/zinc/36/57/98/663365798.db2.gz RFGVKNDVOZUFJA-MISXGVKJSA-N 1 0 378.300 2.500 20 0 GFADRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)NCc1ccn(-c2ccc(Br)cc2)n1 ZINC000892198267 663365832 /nfs/dbraw/zinc/36/58/32/663365832.db2.gz JQNQCQKHKCRLGP-VXGBXAGGSA-N 1 0 380.290 2.560 20 0 GFADRO [NH3+]CC[C@@H]1CCCN(C(=O)N[C@@H]2[C@H]3Cc4c(cccc4Br)[C@@H]23)C1 ZINC000892322894 663369387 /nfs/dbraw/zinc/36/93/87/663369387.db2.gz QBRJGGCJWYMNQK-HYEYJGRESA-N 1 0 378.314 2.858 20 0 GFADRO C[C@]1(Br)C[C@H]1CNc1ccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000892360422 663371366 /nfs/dbraw/zinc/37/13/66/663371366.db2.gz KTMNGMYORXUZRQ-VKJFTORMSA-N 1 0 380.330 2.969 20 0 GFADRO CC[NH+](CC)[C@@H](CNC(=O)NCc1ncc(Br)cn1)c1ccco1 ZINC000892412713 663372498 /nfs/dbraw/zinc/37/24/98/663372498.db2.gz MVYJHKDUDVIFMG-ZDUSSCGKSA-N 1 0 396.289 2.714 20 0 GFADRO [NH3+][C@H]1C[C@@H](CNC(=O)N2CCC[C@H]2C(=O)Nc2cc(Cl)cc(Cl)c2)C1 ZINC000892561720 663377340 /nfs/dbraw/zinc/37/73/40/663377340.db2.gz QDDJWAKZFULMLV-ZBINZKHDSA-N 1 0 385.295 2.843 20 0 GFADRO O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CCOc2cc(Br)ccc2C1 ZINC000892586220 663377993 /nfs/dbraw/zinc/37/79/93/663377993.db2.gz PMAYCNFZFBFLCG-BZWBGLRVSA-N 1 0 394.313 2.884 20 0 GFADRO CN(CCOc1ccc(Br)cc1)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000892606904 663378505 /nfs/dbraw/zinc/37/85/05/663378505.db2.gz LVABBDIFHDFLGI-RBVVOMGSSA-N 1 0 396.329 3.000 20 0 GFADRO Cc1ccc(CNC(=O)N2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)cc1Br ZINC000892694431 663381811 /nfs/dbraw/zinc/38/18/11/663381811.db2.gz IWAFTTPWVZESIS-SJORKVTESA-N 1 0 396.329 2.795 20 0 GFADRO CC(C)NS(=O)(=O)Cc1ccccc1C[NH2+]C[C@@H]1C[C@@]1(C)Br ZINC000892923587 663389901 /nfs/dbraw/zinc/38/99/01/663389901.db2.gz ZTXOOAVKJNXNJD-JKSUJKDBSA-N 1 0 389.359 2.778 20 0 GFADRO C[C@@H]1CCC[C@H](CC[NH+](C)C)N1C(=O)c1nccn2c(Br)cnc12 ZINC000893013674 663393041 /nfs/dbraw/zinc/39/30/41/663393041.db2.gz LMSOONHETWKLMU-CHWSQXEVSA-N 1 0 394.317 2.827 20 0 GFADRO CCc1nnc(C[NH2+]C[C@H](CO)Cc2ccc(OC(F)(F)F)cc2)s1 ZINC000893122768 663397572 /nfs/dbraw/zinc/39/75/72/663397572.db2.gz AQGULGIFHIRLCD-GFCCVEGCSA-N 1 0 375.416 2.940 20 0 GFADRO CNS(=O)(=O)c1cccc2c1CCN(c1cc[nH+]c(C)c1Br)C2 ZINC000893734801 663422457 /nfs/dbraw/zinc/42/24/57/663422457.db2.gz JPFJTSVKUJKJBZ-UHFFFAOYSA-N 1 0 396.310 2.623 20 0 GFADRO O=S1(=O)CC(CC[NH2+]Cc2cc(Br)ccc2Br)C1 ZINC000893936925 663432531 /nfs/dbraw/zinc/43/25/31/663432531.db2.gz XOIKVVBUBCBYTI-UHFFFAOYSA-N 1 0 397.132 2.736 20 0 GFADRO Clc1nc(N2CCOCC2)sc1CN1CCC(C[NH+]2CCCC2)CC1 ZINC000893941261 663432539 /nfs/dbraw/zinc/43/25/39/663432539.db2.gz UVYYYALXWNYTKU-UHFFFAOYSA-N 1 0 384.977 2.941 20 0 GFADRO Cn1nccc1[C@@H]1CCC[N@H+](Cc2sc(N3CCOCC3)nc2Cl)C1 ZINC000893969175 663434578 /nfs/dbraw/zinc/43/45/78/663434578.db2.gz PUBBGDMOHDTZTP-CYBMUJFWSA-N 1 0 381.933 2.746 20 0 GFADRO CN(Cc1nc(Br)nn1C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000894021310 663438007 /nfs/dbraw/zinc/43/80/07/663438007.db2.gz MBWBOZFUNMDJQK-OAHLLOKOSA-N 1 0 378.318 2.532 20 0 GFADRO CC[C@H](C(=O)Nc1cc(Br)cc2c1NC(=O)CO2)[NH+](CC)CC ZINC000894030768 663438840 /nfs/dbraw/zinc/43/88/40/663438840.db2.gz KGRWKXJQWQPQCW-GFCCVEGCSA-N 1 0 384.274 2.839 20 0 GFADRO Cn1ncc(I)c1CNc1ccc(CC[NH+](C)C)cc1 ZINC000894122555 663443989 /nfs/dbraw/zinc/44/39/89/663443989.db2.gz KXUBZZJZTSHCCL-UHFFFAOYSA-N 1 0 384.265 2.741 20 0 GFADRO CO[C@H]1CC[C@@H]1N(C)C(=O)NCCc1cn2cc(Br)cc(C)c2n1 ZINC000894166097 663446355 /nfs/dbraw/zinc/44/63/55/663446355.db2.gz HMNDAZYGXVQMTA-GJZGRUSLSA-N 1 0 395.301 2.767 20 0 GFADRO Cc1cc(C[NH2+][C@H](C)[C@H]2CCS(=O)(=O)C2)ccc1I ZINC000894226641 663449838 /nfs/dbraw/zinc/44/98/38/663449838.db2.gz LTXFDJAADPCZRN-YPMHNXCESA-N 1 0 393.290 2.512 20 0 GFADRO COc1ccc(Br)c(C(=O)NCCC[NH2+][C@H]2COCC2(C)C)c1 ZINC000894231748 663450122 /nfs/dbraw/zinc/45/01/22/663450122.db2.gz RJUGGFFLOVJOII-HNNXBMFYSA-N 1 0 385.302 2.592 20 0 GFADRO C[C@H]1C[C@H]([NH2+]Cc2cc3ccnc(Cl)c3s2)C(=O)N1c1cnn(C)c1 ZINC000894312744 663453619 /nfs/dbraw/zinc/45/36/19/663453619.db2.gz MXSIDUWYLXXANP-HZMBPMFUSA-N 1 0 375.885 2.967 20 0 GFADRO CN1C(=O)N[C@@]2(CCC[C@H]2C[NH2+]Cc2cc3ccnc(Cl)c3s2)C1=O ZINC000894317221 663453992 /nfs/dbraw/zinc/45/39/92/663453992.db2.gz KSKYTNIHIQWDOV-APPDUMDISA-N 1 0 378.885 2.760 20 0 GFADRO CC[S@](=O)[C@@H]1CCC[C@@H]([NH2+]Cc2sc(N3CCOCC3)nc2Cl)C1 ZINC000894323049 663454418 /nfs/dbraw/zinc/45/44/18/663454418.db2.gz BDHUKHYHZPKCEY-FPJCUDJDSA-N 1 0 391.990 2.803 20 0 GFADRO C[C@@H]([NH2+]Cc1sc(N2CCOCC2)nc1Cl)[C@@H](O)c1cccc(F)c1 ZINC000894325204 663454672 /nfs/dbraw/zinc/45/46/72/663454672.db2.gz GCLNFHROZVXXPS-IAQYHMDHSA-N 1 0 385.892 2.984 20 0 GFADRO CC[C@@](C)(COc1ncccc1Cl)[NH2+]Cc1nc(Br)nn1C ZINC000894358923 663457362 /nfs/dbraw/zinc/45/73/62/663457362.db2.gz LVLJDPPAQILIKU-AWEZNQCLSA-N 1 0 388.697 2.963 20 0 GFADRO Cc1[nH+]c2cc(NCc3c(I)cnn3C)ccc2n1C ZINC000894402349 663460051 /nfs/dbraw/zinc/46/00/51/663460051.db2.gz NCWYNKRXGODTNF-UHFFFAOYSA-N 1 0 381.221 2.832 20 0 GFADRO CCC(CC)(C[NH2+]Cc1sc(N2CCOCC2)nc1Cl)C(=O)OC ZINC000894427132 663461081 /nfs/dbraw/zinc/46/10/81/663461081.db2.gz KLSDNXWHXOWXCN-UHFFFAOYSA-N 1 0 375.922 2.702 20 0 GFADRO COC(=O)c1cnc(C[NH2+]C[C@H](CO)Cc2ccc(Br)cc2)s1 ZINC000894562481 663468672 /nfs/dbraw/zinc/46/86/72/663468672.db2.gz OULXCCNBHZQILT-GFCCVEGCSA-N 1 0 399.310 2.633 20 0 GFADRO Cc1ccc(Br)nc1C(=O)N1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000895267398 663506251 /nfs/dbraw/zinc/50/62/51/663506251.db2.gz GZZRWPIPBUIVRY-CYBMUJFWSA-N 1 0 375.270 2.898 20 0 GFADRO C[N@@H+]1CCC[C@@H](CCNC(=O)N[C@](C)(CO)c2cccc(Br)c2)C1 ZINC000895321366 663508133 /nfs/dbraw/zinc/50/81/33/663508133.db2.gz YYNAXXPXMKLLMZ-KBXCAEBGSA-N 1 0 398.345 2.688 20 0 GFADRO CC(C)(C)OC(=O)N[C@@H](C[NH2+]Cc1cnc(Br)cn1)CC(F)F ZINC000895407863 663512487 /nfs/dbraw/zinc/51/24/87/663512487.db2.gz YVUGAGGYTGPLCC-SECBINFHSA-N 1 0 395.248 2.877 20 0 GFADRO C[C@@H]1CN(Cc2cnn3cc(Br)cnc23)CCN1c1cc[nH+]cc1 ZINC000895556067 663519008 /nfs/dbraw/zinc/51/90/08/663519008.db2.gz GLTXCLHJYFPPRZ-CYBMUJFWSA-N 1 0 387.285 2.598 20 0 GFADRO O=S(=O)(c1ccccc1)C1CC([NH2+]Cc2ccc(Br)cn2)C1 ZINC000895839410 663529825 /nfs/dbraw/zinc/52/98/25/663529825.db2.gz PNNFQYNHOGJGFC-UHFFFAOYSA-N 1 0 381.295 2.939 20 0 GFADRO FC(F)(F)[C@@H]1CC[C@H](C[NH2+]Cc2cnn3cc(Br)cnc23)O1 ZINC000896280775 663548838 /nfs/dbraw/zinc/54/88/38/663548838.db2.gz SDYAMWPUMXQMDV-MNOVXSKESA-N 1 0 379.180 2.691 20 0 GFADRO Cn1cc(C[NH2+]C[C@]23C[C@H]2CN(C(=O)OC(C)(C)C)C3)c(Br)n1 ZINC000896282978 663549104 /nfs/dbraw/zinc/54/91/04/663549104.db2.gz XCAAPIJTUSJQOQ-LRDDRELGSA-N 1 0 385.306 2.529 20 0 GFADRO CC(C)(C)NS(=O)(=O)C1(C[NH2+]Cc2cnc(CC(F)(F)F)s2)CCC1 ZINC000896283346 663549209 /nfs/dbraw/zinc/54/92/09/663549209.db2.gz PHGDCLFLQSTZAE-UHFFFAOYSA-N 1 0 399.504 2.978 20 0 GFADRO C[C@@]1(Br)C[C@@H]1C[NH+]1CCC2(CC1)CNC(=O)c1ccccc1O2 ZINC000896445252 663557805 /nfs/dbraw/zinc/55/78/05/663557805.db2.gz UCNCOXHPYRTEIQ-CXAGYDPISA-N 1 0 379.298 2.817 20 0 GFADRO C[C@@H](NC(=O)C1(Cc2ccccc2Br)CC1)[C@@H]1C[N@H+](C)CCN1C ZINC000896539581 663562236 /nfs/dbraw/zinc/56/22/36/663562236.db2.gz RGVQXLDSFJIIME-PBHICJAKSA-N 1 0 394.357 2.522 20 0 GFADRO C[C@H](NC(=O)NCC[NH+]1CCC(O)CC1)c1cc(Cl)cc(Cl)c1F ZINC000896649540 663569624 /nfs/dbraw/zinc/56/96/24/663569624.db2.gz JXBPJUGSXICAKC-JTQLQIEISA-N 1 0 378.275 2.949 20 0 GFADRO CO[C@@]1(C[NH2+]CCCCc2cccc(C(F)(F)F)c2)CCS(=O)(=O)C1 ZINC000896681524 663571487 /nfs/dbraw/zinc/57/14/87/663571487.db2.gz DVHMKTUIUGQPMG-MRXNPFEDSA-N 1 0 379.444 2.821 20 0 GFADRO CC[C@@H](NC(=O)C1C[NH+](C2CCOCC2)C1)c1nc(C(F)(F)F)cs1 ZINC000896778782 663575643 /nfs/dbraw/zinc/57/56/43/663575643.db2.gz QMUSCZBNJCLQLH-GFCCVEGCSA-N 1 0 377.432 2.840 20 0 GFADRO CC(C)(C[NH2+]C[C@@]1(C)CCCN(C(=O)OC(C)(C)C)C1)CS(C)(=O)=O ZINC000896868519 663579841 /nfs/dbraw/zinc/57/98/41/663579841.db2.gz LZLOKAQXIVPFKS-GOSISDBHSA-N 1 0 376.563 2.684 20 0 GFADRO C[N@@H+]1CC[C@H](NC(=O)c2nn3c(c2Br)CCC3)[C@H]1c1ccccc1 ZINC000897241414 663596708 /nfs/dbraw/zinc/59/67/08/663596708.db2.gz YZXFLNIAKHXLMG-SUMWQHHRSA-N 1 0 389.297 2.767 20 0 GFADRO CC(C)(C)OC(=O)N1CC[C@@](O)(C[NH2+]Cc2occc2Br)C1 ZINC000897692656 663615887 /nfs/dbraw/zinc/61/58/87/663615887.db2.gz ZLUHGLCFERGIHT-OAHLLOKOSA-N 1 0 375.263 2.504 20 0 GFADRO COc1ccc([C@H]([NH2+]C(C)C)C(=O)Nc2cc(Br)nn2C)cc1 ZINC000897821264 663621551 /nfs/dbraw/zinc/62/15/51/663621551.db2.gz KKLQAVBJCQSUDG-HNNXBMFYSA-N 1 0 381.274 2.869 20 0 GFADRO Cc1ccncc1CCC[NH2+][C@@H]1Cc2cc(Br)cnc2NC1=O ZINC000897978100 663628361 /nfs/dbraw/zinc/62/83/61/663628361.db2.gz LZVLQCZBTJOAHX-OAHLLOKOSA-N 1 0 375.270 2.633 20 0 GFADRO O=C1Nc2ncc(Br)cc2C[C@H]1[NH2+]Cc1cccc2c1CCOC2 ZINC000897978547 663628651 /nfs/dbraw/zinc/62/86/51/663628651.db2.gz RDKLJWGAEBOZCD-MRXNPFEDSA-N 1 0 388.265 2.570 20 0 GFADRO C[NH+](C)CCN(C(=O)c1ccc(Cn2cc(Br)cn2)s1)C1CC1 ZINC000898016708 663630264 /nfs/dbraw/zinc/63/02/64/663630264.db2.gz AQJYBKWYSKJSHZ-UHFFFAOYSA-N 1 0 397.342 2.922 20 0 GFADRO Cn1nnnc1CCC[NH2+]Cc1cc(C(F)(F)F)ccc1Br ZINC000898039009 663630866 /nfs/dbraw/zinc/63/08/66/663630866.db2.gz VFLYFCBPKANJSM-UHFFFAOYSA-N 1 0 378.196 2.714 20 0 GFADRO CCOc1cc(C[NH2+][C@H]2CCOC23CCOCC3)cc(Br)c1O ZINC000898114591 663634262 /nfs/dbraw/zinc/63/42/62/663634262.db2.gz FRGZDLUTZSFBBQ-HNNXBMFYSA-N 1 0 386.286 2.981 20 0 GFADRO O=C(c1ccc(F)c(Br)c1)N1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000898118132 663634537 /nfs/dbraw/zinc/63/45/37/663634537.db2.gz WJHUNNUWNYKENK-UHFFFAOYSA-N 1 0 385.277 2.555 20 0 GFADRO O=c1cc(N2CC[C@@H]([NH2+]Cc3c(F)ccc(Br)c3F)C2)nc[nH]1 ZINC000898152438 663635818 /nfs/dbraw/zinc/63/58/18/663635818.db2.gz IGWUJIVGAYLYBB-SECBINFHSA-N 1 0 385.212 2.591 20 0 GFADRO O=c1cc(N2CC[C@@H]([NH2+]Cc3c(Cl)nc4cc(Cl)ccn43)C2)nc[nH]1 ZINC000898152732 663635924 /nfs/dbraw/zinc/63/59/24/663635924.db2.gz NRRSFZNTQLHAJG-LLVKDONJSA-N 1 0 379.251 2.505 20 0 GFADRO O=c1cc(N2CC[C@@H]([NH2+][C@@H]3CCc4cc(Br)ccc4C3)C2)nc[nH]1 ZINC000898158009 663636253 /nfs/dbraw/zinc/63/62/53/663636253.db2.gz PPOKMRWYECHVAR-HZPDHXFCSA-N 1 0 389.297 2.671 20 0 GFADRO O=c1[nH]ncc(N2CC[C@H]([NH2+]Cc3cccc(O)c3Br)C2)c1Cl ZINC000898367572 663644914 /nfs/dbraw/zinc/64/49/14/663644914.db2.gz FMDRZLVHWULGQT-JTQLQIEISA-N 1 0 399.676 2.672 20 0 GFADRO Cc1ccnc(C[NH2+][C@@H]2CCN(c3cn[nH]c(=O)c3Cl)C2)c1Br ZINC000898372679 663645337 /nfs/dbraw/zinc/64/53/37/663645337.db2.gz WARQPGZBYUJPMP-SNVBAGLBSA-N 1 0 398.692 2.670 20 0 GFADRO COC(=O)C1CC2(C1)C[C@H]([NH2+][C@@H](C)c1ccc(Cl)cc1)CCS2(=O)=O ZINC000898487767 663652282 /nfs/dbraw/zinc/65/22/82/663652282.db2.gz GCGKCOCRHZEQCR-DXEFUBIOSA-N 1 0 385.913 2.890 20 0 GFADRO C[C@H]([NH2+][C@@H](CO)c1ccccc1I)[C@@H]1CCCOC1 ZINC000898512598 663653978 /nfs/dbraw/zinc/65/39/78/663653978.db2.gz LFWULWGWWBSJGA-ZOWXZIJZSA-N 1 0 375.250 2.729 20 0 GFADRO C[C@H]([NH2+][C@@H](CO)c1ccccc1I)[C@H]1CCCCO1 ZINC000898511851 663654036 /nfs/dbraw/zinc/65/40/36/663654036.db2.gz GHOOMYAULJGZFK-TUKIKUTGSA-N 1 0 375.250 2.872 20 0 GFADRO OC[C@H](N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1I ZINC000898513058 663654209 /nfs/dbraw/zinc/65/42/09/663654209.db2.gz PKUZIONQSQKZRN-ZENOOKHLSA-N 1 0 386.277 2.541 20 0 GFADRO CC(C)(C)OC(=O)N1CCC([NH2+][C@@H]2CCc3ncc(Br)n3C2)CC1 ZINC000898724547 663661399 /nfs/dbraw/zinc/66/13/99/663661399.db2.gz NHSZTIMAPMPMIH-CYBMUJFWSA-N 1 0 399.333 2.950 20 0 GFADRO CC(=O)c1cc(Br)ccc1OCC(=O)NCC(C)(C)n1ccnc1 ZINC000898906131 663668970 /nfs/dbraw/zinc/66/89/70/663668970.db2.gz BICQITUHBULRBH-UHFFFAOYSA-N 1 0 394.269 2.779 20 0 GFADRO C[NH+](C)CCOc1ccc(CCC(=O)Nc2n[nH]cc2Br)cc1 ZINC000899121025 663676515 /nfs/dbraw/zinc/67/65/15/663676515.db2.gz ADBRWYUYDORVNC-UHFFFAOYSA-N 1 0 381.274 2.684 20 0 GFADRO O=C1c2cc(Br)ccc2S(=O)(=O)N1CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000899629643 663696743 /nfs/dbraw/zinc/69/67/43/663696743.db2.gz LEMUGZAAQPIMPB-VGPLMAKISA-N 1 0 399.310 2.514 20 0 GFADRO C[C@@H](c1ccccc1Br)n1cc(CNC2CC[NH+](C)CC2)nn1 ZINC000899731123 663699497 /nfs/dbraw/zinc/69/94/97/663699497.db2.gz SBFRCQRTIWLHAN-ZDUSSCGKSA-N 1 0 378.318 2.834 20 0 GFADRO Brc1ccc2c(c1)[C@@H](n1cc(C[C@@H]3CCC[NH2+]C3)nn1)CCO2 ZINC000899739066 663699743 /nfs/dbraw/zinc/69/97/43/663699743.db2.gz RIBBYGMKZCJAHX-LRDDRELGSA-N 1 0 377.286 2.955 20 0 GFADRO CN(CC(=O)Nc1ccccc1Br)C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC000899957574 663704373 /nfs/dbraw/zinc/70/43/73/663704373.db2.gz WSNCNBIMOSDQFG-BBRMVZONSA-N 1 0 394.313 2.863 20 0 GFADRO CC(C)[NH+]1CCN(CCC(=O)N2CCc3c(Br)cccc3C2)CC1 ZINC000900468413 663715118 /nfs/dbraw/zinc/71/51/18/663715118.db2.gz KMJRMMBDHFYHJE-UHFFFAOYSA-N 1 0 394.357 2.750 20 0 GFADRO C[NH+]1CCC(NCc2cn(Cc3cc(Cl)ccc3Br)nn2)CC1 ZINC000900561793 663717212 /nfs/dbraw/zinc/71/72/12/663717212.db2.gz IMXKXLPDWCBGRI-UHFFFAOYSA-N 1 0 398.736 2.926 20 0 GFADRO COc1ccc(NC(=O)CCN2CC[NH+](C(C)C)CC2)cc1Br ZINC000900671418 663719251 /nfs/dbraw/zinc/71/92/51/663719251.db2.gz NOTFPOGUHIKLLZ-UHFFFAOYSA-N 1 0 384.318 2.812 20 0 GFADRO CC[NH+]1CCN([C@@H](C)CNC(=O)c2ccc(OC(F)F)c(Cl)c2)CC1 ZINC000900686626 663719715 /nfs/dbraw/zinc/71/97/15/663719715.db2.gz NOXLPYOJLGREBY-LBPRGKRZSA-N 1 0 375.847 2.697 20 0 GFADRO C[C@H](CNC(=O)C(C)(C)Cc1ccc(Br)cc1)N1CC[NH+](C)CC1 ZINC000900694226 663719962 /nfs/dbraw/zinc/71/99/62/663719962.db2.gz AZEPVDNQXMLOGX-OAHLLOKOSA-N 1 0 396.373 2.770 20 0 GFADRO CC[NH+](CC)CCN(C(=O)c1cscc1C(F)F)[C@@H]1CCS(=O)(=O)C1 ZINC000901214067 663732505 /nfs/dbraw/zinc/73/25/05/663732505.db2.gz ZHMZILTWODLLGE-GFCCVEGCSA-N 1 0 394.509 2.657 20 0 GFADRO O=C(NC1CC1)[C@H]([NH2+]CC1(n2cc(Br)cn2)CC1)c1ccccc1 ZINC000901608099 663739285 /nfs/dbraw/zinc/73/92/85/663739285.db2.gz SRKOVJLKCYJOCS-MRXNPFEDSA-N 1 0 389.297 2.744 20 0 GFADRO C[C@@H]([NH2+][C@H]1CCc2ncc(Br)n2C1)C(=O)N[C@H](C)c1ccccc1 ZINC000901727134 663743716 /nfs/dbraw/zinc/74/37/16/663743716.db2.gz CUGMDSZWIWPHJO-NFAWXSAZSA-N 1 0 391.313 2.816 20 0 GFADRO CCOC(=O)[C@H]1CC[N@H+](Cn2ccc(=O)c3cccc(Br)c32)C1 ZINC000902419444 663760919 /nfs/dbraw/zinc/76/09/19/663760919.db2.gz HTUDKMYOTNDOHX-LBPRGKRZSA-N 1 0 379.254 2.607 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)c1nnc(-c2cscn2)o1)c1ccc(Cl)cc1 ZINC000902643121 663765048 /nfs/dbraw/zinc/76/50/48/663765048.db2.gz OHINOAVHDAYBPH-ZDUSSCGKSA-N 1 0 377.857 2.879 20 0 GFADRO CCCS(=O)(=O)N1CCC([NH2+][C@H](C)c2ccc(C(F)(F)F)cn2)CC1 ZINC000902746536 663767024 /nfs/dbraw/zinc/76/70/24/663767024.db2.gz JKVOQGOZRKAKAI-GFCCVEGCSA-N 1 0 379.448 2.955 20 0 GFADRO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)c1nnc(-c2ccns2)o1 ZINC000902780468 663767446 /nfs/dbraw/zinc/76/74/46/663767446.db2.gz WRKXOTFUBJTKRW-LLVKDONJSA-N 1 0 375.479 2.822 20 0 GFADRO O=C(NCC[NH2+][C@@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21)c1cccc(Br)c1 ZINC000902867010 663768921 /nfs/dbraw/zinc/76/89/21/663768921.db2.gz UXBGTLBLRFSOHG-FIDHJVLJSA-N 1 0 379.298 2.582 20 0 GFADRO C[C@@H]([NH2+]CCCN1CCCC1=O)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000903058683 663772329 /nfs/dbraw/zinc/77/23/29/663772329.db2.gz JMVTZWFPHPXNAQ-GFCCVEGCSA-N 1 0 378.416 2.643 20 0 GFADRO CC(C)COC[C@@H](O)C[NH2+][C@@H](C)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000903076000 663772485 /nfs/dbraw/zinc/77/24/85/663772485.db2.gz ILMRDEUDUBTESK-JSGCOSHPSA-N 1 0 383.432 2.664 20 0 GFADRO C[C@@H]([NH2+]CCCc1cnn(C)c1)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000903087689 663772823 /nfs/dbraw/zinc/77/28/23/663772823.db2.gz GJKGEILSKTXBBG-GFCCVEGCSA-N 1 0 375.416 2.997 20 0 GFADRO Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)[NH2+]C[C@@H]1CC[C@@H](C(F)(F)F)O1 ZINC000903179539 663777247 /nfs/dbraw/zinc/77/72/47/663777247.db2.gz QDAKZNWWGPBKNM-HUBLWGQQSA-N 1 0 380.432 2.711 20 0 GFADRO O=S(=O)(Cc1ccc(OC(F)(F)F)cc1)N1CCC([NH+]2CCC2)CC1 ZINC000903204263 663778439 /nfs/dbraw/zinc/77/84/39/663778439.db2.gz LDTZQJCBGGEKGJ-UHFFFAOYSA-N 1 0 378.416 2.585 20 0 GFADRO C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CC[C@@H]1CC(=O)N(C)C1 ZINC000903221401 663778770 /nfs/dbraw/zinc/77/87/70/663778770.db2.gz ZDNCLLFLTCDGPC-QWHCGFSZSA-N 1 0 382.302 2.624 20 0 GFADRO C[C@H]([NH2+]CC[C@H]1CCCS1(=O)=O)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000903222086 663778913 /nfs/dbraw/zinc/77/89/13/663778913.db2.gz XXZWBXOPKNOHMM-WCQYABFASA-N 1 0 399.456 2.598 20 0 GFADRO COc1ccc2cc([C@H](C)[NH2+]CCS(=O)(=O)N=S(C)(C)=O)ccc2c1 ZINC000903232150 663779813 /nfs/dbraw/zinc/77/98/13/663779813.db2.gz ULCGIQLSDMGGQZ-ZDUSSCGKSA-N 1 0 384.523 2.556 20 0 GFADRO CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+][C@@H]2CCCN3CCSC[C@@H]23)cc1 ZINC000903271748 663780832 /nfs/dbraw/zinc/78/08/32/663780832.db2.gz NFTPKVKWERWPNL-QGTPRVQTSA-N 1 0 383.583 2.679 20 0 GFADRO CO[C@]1(C[NH2+][C@@H]2CCCc3ccc(Br)cc32)CCS(=O)(=O)C1 ZINC000903366718 663783030 /nfs/dbraw/zinc/78/30/30/663783030.db2.gz VMELRRPQBAEWAK-CVEARBPZSA-N 1 0 388.327 2.620 20 0 GFADRO O=c1ccn(CCC[NH2+][C@H](c2ccc(Br)cc2F)C2CC2)c(=O)[nH]1 ZINC000903428465 663784435 /nfs/dbraw/zinc/78/44/35/663784435.db2.gz HOPXXLIRDKDTKU-INIZCTEOSA-N 1 0 396.260 2.982 20 0 GFADRO O=c1ccn(CCC[NH2+][C@H]2CCCc3ccc(Br)cc32)c(=O)[nH]1 ZINC000903432007 663784571 /nfs/dbraw/zinc/78/45/71/663784571.db2.gz FFUKCAXDBONIOX-HNNXBMFYSA-N 1 0 378.270 2.769 20 0 GFADRO COC(=O)C1CC2(C1)C[C@@H]([NH2+][C@H]1CCCc3sccc31)CCS2(=O)=O ZINC000903453197 663785191 /nfs/dbraw/zinc/78/51/91/663785191.db2.gz UUOPHNBNSTUBCV-HGGZBGRVSA-N 1 0 383.535 2.614 20 0 GFADRO O=S(=O)(Cc1cccc(Cl)c1Br)NCC1CC[NH2+]CC1 ZINC000903510280 663786119 /nfs/dbraw/zinc/78/61/19/663786119.db2.gz GDLYLJVMPDJQRH-UHFFFAOYSA-N 1 0 381.723 2.522 20 0 GFADRO [NH3+][C@@H]1CN([C@@H]2CCc3cc(Br)ccc3NC2=O)C[C@H]1C(F)(F)F ZINC000903514018 663786398 /nfs/dbraw/zinc/78/63/98/663786398.db2.gz ZCBWRQZDHPIYDN-NQBHXWOUSA-N 1 0 392.219 2.524 20 0 GFADRO COc1cc(Cl)c(S(=O)(=O)N2CCC(C(C)(C)C[NH3+])CC2)cc1OC ZINC000903521381 663786991 /nfs/dbraw/zinc/78/69/91/663786991.db2.gz USITYICLDJQDLC-UHFFFAOYSA-N 1 0 390.933 2.743 20 0 GFADRO [NH3+][C@H]1CN(CCC(=O)Nc2ccccc2Br)CC[C@@H]1C(F)(F)F ZINC000903535691 663787727 /nfs/dbraw/zinc/78/77/27/663787727.db2.gz QEPIMIZJXMASSU-JQWIXIFHSA-N 1 0 394.235 2.989 20 0 GFADRO O=S(=O)(N[C@@H]1C[NH2+]CC2(CCOCC2)C1)c1ccc(Cl)c(F)c1Cl ZINC000903544699 663788119 /nfs/dbraw/zinc/78/81/19/663788119.db2.gz GRTJQIVMRKBXRI-JTQLQIEISA-N 1 0 397.299 2.570 20 0 GFADRO [NH3+][C@@H]1CN(S(=O)(=O)c2ccccc2C(F)(F)F)CC[C@@H]1C(F)(F)F ZINC000903577007 663789820 /nfs/dbraw/zinc/78/98/20/663789820.db2.gz CHTJFGYIYDQPNW-WCBMZHEXSA-N 1 0 376.322 2.606 20 0 GFADRO [NH3+][C@@H]1CN(S(=O)(=O)c2ccc(CC(F)(F)F)cc2)CC[C@H]1C(F)(F)F ZINC000903579700 663790050 /nfs/dbraw/zinc/79/00/50/663790050.db2.gz PBFKKZKBJDLTNE-VXGBXAGGSA-N 1 0 390.349 2.692 20 0 GFADRO [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(S(=O)(=O)c1ccc(Br)cc1Cl)C2 ZINC000903581928 663790468 /nfs/dbraw/zinc/79/04/68/663790468.db2.gz OEZIIBPOUVMXJY-GDPRMGEGSA-N 1 0 379.707 2.603 20 0 GFADRO C[C@]1(CS(=O)(=O)N2CCCc3cc(CC[NH3+])ccc32)CC1(Cl)Cl ZINC000903598604 663791448 /nfs/dbraw/zinc/79/14/48/663791448.db2.gz DVCHGZIIAOMXOA-OAHLLOKOSA-N 1 0 377.337 2.854 20 0 GFADRO CC1(C)CN(C(=O)C(=O)N(Cc2cccs2)Cc2cccs2)C[C@@H]1[NH3+] ZINC000903715366 663804863 /nfs/dbraw/zinc/80/48/63/663804863.db2.gz HITLIEORGFWWDW-HNNXBMFYSA-N 1 0 377.535 2.534 20 0 GFADRO Brc1ccccc1[C@H]1CN(C[C@@H]2CC3(CO2)CC[NH2+]CC3)CCO1 ZINC000903726513 663805155 /nfs/dbraw/zinc/80/51/55/663805155.db2.gz MJFNXNQONHOSTJ-MAUKXSAKSA-N 1 0 395.341 2.981 20 0 GFADRO [NH3+]C[C@@]12CC[C@H]1CCN2Cc1nc(Cc2cccc(Br)c2)no1 ZINC000903855556 663809054 /nfs/dbraw/zinc/80/90/54/663809054.db2.gz NNFUPFUBSWEFNS-GUYCJALGSA-N 1 0 377.286 2.736 20 0 GFADRO Cc1c(C[C@H](C[NH3+])CN2CCc3cccc(Br)c3C2)cnn1C ZINC000903896215 663810357 /nfs/dbraw/zinc/81/03/57/663810357.db2.gz UGVUAGSEUKRITH-CQSZACIVSA-N 1 0 377.330 2.667 20 0 GFADRO Cc1ccc(NCc2cnnn2[C@@H]2CCC[NH2+]C2)cc1I ZINC000903918479 663811482 /nfs/dbraw/zinc/81/14/82/663811482.db2.gz ADKYQJZJDLQVGB-CYBMUJFWSA-N 1 0 397.264 2.728 20 0 GFADRO Brc1cc2c(c(CN[C@H]3C[NH2+]CC4(CCOCC4)C3)c1)OCC2 ZINC000903973127 663814273 /nfs/dbraw/zinc/81/42/73/663814273.db2.gz OVCULOHKESXBJZ-MRXNPFEDSA-N 1 0 381.314 2.632 20 0 GFADRO COc1ccc(Cc2noc([C@@H]3[C@@H]4CC[NH2+]C[C@@H]43)n2)c(Br)c1OC ZINC000904102971 663824532 /nfs/dbraw/zinc/82/45/32/663824532.db2.gz JMIBHXJTDHDAPK-UHIISALHSA-N 1 0 394.269 2.763 20 0 GFADRO Fc1cc2c(cc1Br)CN(Cc1cnnn1[C@H]1CCC[NH2+]C1)CC2 ZINC000904434336 663834202 /nfs/dbraw/zinc/83/42/02/663834202.db2.gz VSNDFEYEAKHFKD-AWEZNQCLSA-N 1 0 394.292 2.663 20 0 GFADRO Cc1c(Br)nccc1NC(=O)N1CC[NH2+]CCC12CCOCC2 ZINC000904483809 663835670 /nfs/dbraw/zinc/83/56/70/663835670.db2.gz KLBYKWYTOYROPD-UHFFFAOYSA-N 1 0 383.290 2.529 20 0 GFADRO Brc1cncc(-c2noc([C@@H]3CC[NH2+][C@@H]([C@H]4CCCO4)C3)n2)c1 ZINC000904536574 663836990 /nfs/dbraw/zinc/83/69/90/663836990.db2.gz FKAFAWCUBRSCMF-LERXQTSPSA-N 1 0 379.258 2.909 20 0 GFADRO COCCOc1ccc(NC(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)cc1Br ZINC000904548109 663837275 /nfs/dbraw/zinc/83/72/75/663837275.db2.gz IRZVCIWFDPNIOH-WCQYABFASA-N 1 0 386.290 2.736 20 0 GFADRO COc1cc(-c2noc(C[C@@H]([NH3+])CCSC)n2)cc(Br)c1O ZINC000904691637 663841233 /nfs/dbraw/zinc/84/12/33/663841233.db2.gz XYUZUMDWXFJLED-VIFPVBQESA-N 1 0 388.287 2.836 20 0 GFADRO CSCC[C@H]([NH3+])Cc1nc(Cc2ccc(OCC(F)(F)F)nc2)no1 ZINC000904706904 663841563 /nfs/dbraw/zinc/84/15/63/663841563.db2.gz GGRHFILLWUFDNT-NSHDSACASA-N 1 0 376.404 2.619 20 0 GFADRO O[C@H](C[NH2+][C@H]1CCN(c2ccccc2Br)C1)CC1(O)CCCC1 ZINC000905102455 663853342 /nfs/dbraw/zinc/85/33/42/663853342.db2.gz DFIVMFJKCMHSPM-GJZGRUSLSA-N 1 0 383.330 2.674 20 0 GFADRO Cc1ccc(C[C@@H](C)[NH2+]C[C@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)s1 ZINC000905139827 663854875 /nfs/dbraw/zinc/85/48/75/663854875.db2.gz YGCPMCKRZJMJBM-CJNGLKHVSA-N 1 0 388.599 2.579 20 0 GFADRO Cc1cc(Br)cn2cc(C[NH2+]C[C@@H](O)CCC3(O)CCC3)nc12 ZINC000905215124 663859376 /nfs/dbraw/zinc/85/93/76/663859376.db2.gz XTJJBNXQSPWWAM-HNNXBMFYSA-N 1 0 382.302 2.551 20 0 GFADRO O=C(CC[NH2+]C[C@H](O)CCC1(O)CCC1)Nc1cc(Cl)cc(Cl)c1 ZINC000905272132 663863329 /nfs/dbraw/zinc/86/33/29/663863329.db2.gz FWURRHSIYSISCC-OAHLLOKOSA-N 1 0 375.296 2.968 20 0 GFADRO O[C@H](CC[C@H](O)C[NH2+]CCCn1cc(Br)cn1)c1ccccc1 ZINC000905263704 663863378 /nfs/dbraw/zinc/86/33/78/663863378.db2.gz WATORCVSDZDEPQ-DLBZAZTESA-N 1 0 382.302 2.500 20 0 GFADRO O=S(=O)(CC1CC[NH2+]CC1)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000905333026 663865931 /nfs/dbraw/zinc/86/59/31/663865931.db2.gz UGTSDUBZLFONOB-QWRGUYRKSA-N 1 0 396.397 2.815 20 0 GFADRO C[C@H](c1ccccc1Br)N(C)S(=O)(=O)CC1CC[NH2+]CC1 ZINC000905335834 663866220 /nfs/dbraw/zinc/86/62/20/663866220.db2.gz SHLOMYZTNHGTIK-GFCCVEGCSA-N 1 0 375.332 2.771 20 0 GFADRO CC1(C)C[NH2+][C@H]1C1CCN(S(=O)(=O)c2sccc2Br)CC1 ZINC000905358689 663867288 /nfs/dbraw/zinc/86/72/88/663867288.db2.gz HSKCXLXIYFNHNE-LBPRGKRZSA-N 1 0 393.372 2.909 20 0 GFADRO COc1cc(NC(=O)CC[NH2+]C[C@]2(OC)CCSC2)c(OC)cc1Cl ZINC000905545485 663877710 /nfs/dbraw/zinc/87/77/10/663877710.db2.gz FVARLOWJFWSCQA-QGZVFWFLSA-N 1 0 388.917 2.798 20 0 GFADRO O[C@@H](C[NH2+]C[C@@H]1CCN1C1CCOCC1)COc1ccc(Cl)cc1Cl ZINC000905623947 663882327 /nfs/dbraw/zinc/88/23/27/663882327.db2.gz JQHMZZYKVYIFEL-HOTGVXAUSA-N 1 0 389.323 2.576 20 0 GFADRO COC(=O)[C@@H]1C[C@@H]2C[C@H]([NH2+]CCC(=O)Nc3cccc(Br)c3)[C@@H]2C1 ZINC000905652349 663883697 /nfs/dbraw/zinc/88/36/97/663883697.db2.gz DYACWRMAEHMKNA-BHTHQVBYSA-N 1 0 395.297 2.955 20 0 GFADRO C[NH+](C)CCCNC(=S)N1CCCC[C@H]1c1ncc(Br)cn1 ZINC000905662417 663884606 /nfs/dbraw/zinc/88/46/06/663884606.db2.gz IMAJPTKRXHKUET-ZDUSSCGKSA-N 1 0 386.363 2.592 20 0 GFADRO O[C@H](C[NH2+]Cc1ccc(Br)c(Br)c1)Cn1cccn1 ZINC000905664741 663884623 /nfs/dbraw/zinc/88/46/23/663884623.db2.gz TUPUJIRVVIEBDQ-LLVKDONJSA-N 1 0 389.091 2.559 20 0 GFADRO O[C@H](C[NH2+]C[C@]12C[C@H]1COC21CCC1)COc1ccc(Br)cc1 ZINC000905685670 663886326 /nfs/dbraw/zinc/88/63/26/663886326.db2.gz HWQFOIUMBMQGOP-YSVLISHTSA-N 1 0 382.298 2.738 20 0 GFADRO C[NH+](C)CCCOc1cccc(NS(=O)(=O)N=[S@@](C)(=O)C(C)(C)C)c1 ZINC000906058505 663915945 /nfs/dbraw/zinc/91/59/45/663915945.db2.gz WLBJWPNOUXLMNH-DEOSSOPVSA-N 1 0 391.559 2.570 20 0 GFADRO CC[N@@H+]1CC[C@H](CNC(=O)c2ccc(Cn3cc(Br)cn3)s2)C1 ZINC000906361232 663941812 /nfs/dbraw/zinc/94/18/12/663941812.db2.gz DOGPWANBTJKROR-GFCCVEGCSA-N 1 0 397.342 2.827 20 0 GFADRO CC(C)n1cc(Br)c(C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)n1 ZINC000906672553 663964400 /nfs/dbraw/zinc/96/44/00/663964400.db2.gz DEAOZYCHJAVBBX-CQSZACIVSA-N 1 0 399.333 2.600 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)NC2(C3CC[NH2+]CC3)CC2)c(Br)c1 ZINC000906715552 663966844 /nfs/dbraw/zinc/96/68/44/663966844.db2.gz WPASKPIRWALYNZ-UHFFFAOYSA-N 1 0 394.313 2.653 20 0 GFADRO [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(=O)Nc1cc(Cl)cc(C(F)(F)F)c1)C2 ZINC000906753255 663968739 /nfs/dbraw/zinc/96/87/39/663968739.db2.gz RGCRJMXLEMUOIY-QWRKXWFKSA-N 1 0 375.778 2.636 20 0 GFADRO O=C(Nc1ccc(C(F)(F)F)cc1Cl)C(=O)N1CCC[C@]12CC[NH2+]C2 ZINC000906766508 663969555 /nfs/dbraw/zinc/96/95/55/663969555.db2.gz RCLSNRXSSPRVIQ-OAHLLOKOSA-N 1 0 375.778 2.652 20 0 GFADRO C[NH+](C)CC1CCC(NC(=O)c2cccn3ncc(Br)c23)CC1 ZINC000907103096 664002052 /nfs/dbraw/zinc/00/20/52/664002052.db2.gz ZDXNJUKQFKZTCT-UHFFFAOYSA-N 1 0 379.302 2.947 20 0 GFADRO C[N@@H+]1C[C@@H](O)C[C@@]1(C)C(=O)N1CC=C(c2cccc(Br)c2)CC1 ZINC000907385944 664030604 /nfs/dbraw/zinc/03/06/04/664030604.db2.gz OYXRZIASYUIOKT-WMZOPIPTSA-N 1 0 379.298 2.520 20 0 GFADRO CC(C)(CNC(=O)c1nscc1I)C[NH+]1CCCC1 ZINC000907709317 664054895 /nfs/dbraw/zinc/05/48/95/664054895.db2.gz MSSDWUYEOAEPFK-UHFFFAOYSA-N 1 0 393.294 2.600 20 0 GFADRO C[NH+]1CCC2(CCN2S(=O)(=O)c2c(Cl)cccc2Br)CC1 ZINC000907856603 664066289 /nfs/dbraw/zinc/06/62/89/664066289.db2.gz ZLAYZQQHTBYWNB-UHFFFAOYSA-N 1 0 393.734 2.961 20 0 GFADRO C[NH+]1CCC2(CCN2S(=O)(=O)Cc2ccc(Br)c(F)c2)CC1 ZINC000907857817 664066519 /nfs/dbraw/zinc/06/65/19/664066519.db2.gz PFSRVSJBWZDGQU-UHFFFAOYSA-N 1 0 391.306 2.588 20 0 GFADRO O=S(=O)(CCC[NH+]1CCCC1)N(Cc1cccs1)Cc1ccncc1 ZINC000907918847 664071197 /nfs/dbraw/zinc/07/11/97/664071197.db2.gz OQCYTCSIPVFAQN-UHFFFAOYSA-N 1 0 379.551 2.961 20 0 GFADRO CC(=O)NCCN(Cc1ccc(Cl)cc1Cl)C(=O)C12CC[NH+](CC1)C2 ZINC000908022244 664077989 /nfs/dbraw/zinc/07/79/89/664077989.db2.gz UBZYCKKNDCNGCB-UHFFFAOYSA-N 1 0 384.307 2.554 20 0 GFADRO C[C@@H]1[C@@H](NC(=O)Cc2c(Br)cnn2C)CC[N@@H+]1Cc1ccccc1 ZINC000908229564 664093207 /nfs/dbraw/zinc/09/32/07/664093207.db2.gz IMJGOTIBOHXACL-CJNGLKHVSA-N 1 0 391.313 2.504 20 0 GFADRO Cc1c(C(=O)N2CC[C@@H]([NH+](C)C)[C@@H]2C)nnn1-c1ccccc1Br ZINC000908413453 664104913 /nfs/dbraw/zinc/10/49/13/664104913.db2.gz LGZVXXQTHWBKIY-SMDDNHRTSA-N 1 0 392.301 2.503 20 0 GFADRO CC(C)[NH2+]C1(CO)CCN(C(=O)c2cc(Cl)nc(C(F)(F)F)c2)CC1 ZINC000908597689 664116451 /nfs/dbraw/zinc/11/64/51/664116451.db2.gz BADRARBPROUHMM-UHFFFAOYSA-N 1 0 379.810 2.719 20 0 GFADRO Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)Nc2cccc(O)c2Br)cn1 ZINC000908710626 664122349 /nfs/dbraw/zinc/12/23/49/664122349.db2.gz MIXXTVLOMPMLEN-QWHCGFSZSA-N 1 0 393.285 2.562 20 0 GFADRO C[C@@H]([NH3+])C1CCN(C(=O)c2cc(Br)cnc2Br)CC1 ZINC000911755038 664255505 /nfs/dbraw/zinc/25/55/05/664255505.db2.gz XQQAVRJRJYNZCO-MRVPVSSYSA-N 1 0 391.107 2.806 20 0 GFADRO CCCN(C(=O)c1cc(Br)cnc1Br)[C@H]1CC[NH2+]C1 ZINC000911768394 664256080 /nfs/dbraw/zinc/25/60/80/664256080.db2.gz PYDSDXYQRKROJO-JTQLQIEISA-N 1 0 391.107 2.821 20 0 GFADRO C[C@](C[NH3+])(NC(=O)c1cnn(Cc2ccccc2)c1Br)C1CC1 ZINC000911803547 664256565 /nfs/dbraw/zinc/25/65/65/664256565.db2.gz SOWFQWISKCJFPV-QGZVFWFLSA-N 1 0 377.286 2.551 20 0 GFADRO CCC(CC)(C[NH3+])NC(=O)c1cnn(Cc2ccccc2)c1Br ZINC000911800387 664256644 /nfs/dbraw/zinc/25/66/44/664256644.db2.gz QZVYGFOPESQHSY-UHFFFAOYSA-N 1 0 379.302 2.941 20 0 GFADRO COc1ccc(Br)cc1[C@@H](N)C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000911812315 664256947 /nfs/dbraw/zinc/25/69/47/664256947.db2.gz XCCIBVKPHPFWQX-QGZVFWFLSA-N 1 0 390.281 2.742 20 0 GFADRO C[C@@H]1CCCN(C(=O)c2cc(Br)cnc2Br)[C@@H]1C[NH3+] ZINC000911826972 664257588 /nfs/dbraw/zinc/25/75/88/664257588.db2.gz TWYXOQPEYZQGGH-LDYMZIIASA-N 1 0 391.107 2.806 20 0 GFADRO CC[NH2+]CC1CCN(C(=O)c2cc(Br)c3nccnc3c2)CC1 ZINC000911864201 664259599 /nfs/dbraw/zinc/25/95/99/664259599.db2.gz ODIXXPCESBIPSO-UHFFFAOYSA-N 1 0 377.286 2.854 20 0 GFADRO C[NH2+]C[C@@H]1CCCN1C(=O)c1ccc(Cn2cc(Br)cn2)s1 ZINC000911864500 664259615 /nfs/dbraw/zinc/25/96/15/664259615.db2.gz QKHWCBGLEWLJEX-LBPRGKRZSA-N 1 0 383.315 2.579 20 0 GFADRO CCc1cccc(C)c1NC(=O)c1cc(Br)cn(CC[NH3+])c1=O ZINC000911904013 664261418 /nfs/dbraw/zinc/26/14/18/664261418.db2.gz AWZSBFOTNPGLMC-UHFFFAOYSA-N 1 0 378.270 2.693 20 0 GFADRO C[NH+]1CCC(N(CCO)C(=O)[C@@H]2C[C@]2(C)c2cccc(Br)c2)CC1 ZINC000911933758 664262458 /nfs/dbraw/zinc/26/24/58/664262458.db2.gz PMAPBWKOXZBEIH-PKOBYXMFSA-N 1 0 395.341 2.642 20 0 GFADRO C[NH+]1CCC(N(CCO)C(=O)Cc2cc(Cl)ccc2Br)CC1 ZINC000911940414 664262842 /nfs/dbraw/zinc/26/28/42/664262842.db2.gz OHMCTQRPDAOZRX-UHFFFAOYSA-N 1 0 389.721 2.560 20 0 GFADRO C[C@H]([NH3+])C1(C(=O)Nc2nnc(SCc3ccccc3)s2)CCOCC1 ZINC000911971222 664264143 /nfs/dbraw/zinc/26/41/43/664264143.db2.gz LEBQAKBFIYKKIU-LBPRGKRZSA-N 1 0 378.523 2.913 20 0 GFADRO CCCc1ccc(NC(=O)c2cc(Br)cn(CC[NH3+])c2=O)cc1 ZINC000912058494 664268961 /nfs/dbraw/zinc/26/89/61/664268961.db2.gz MPVUMDVSWQWJTJ-UHFFFAOYSA-N 1 0 378.270 2.774 20 0 GFADRO C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N[C@]1(C)C[NH+]2CCC1CC2 ZINC000912376926 664284195 /nfs/dbraw/zinc/28/41/95/664284195.db2.gz AZEHKUZELRMLIA-BBATYDOGSA-N 1 0 384.307 2.712 20 0 GFADRO O=C(c1cccc(Cl)c1Cl)N1CCN(C(=O)C23CCC(CC2)[NH2+]3)CC1 ZINC000912381407 664284372 /nfs/dbraw/zinc/28/43/72/664284372.db2.gz POGVUWCHGMJPMA-UHFFFAOYSA-N 1 0 382.291 2.562 20 0 GFADRO CN(C(=O)C1C[NH+](C2CCOCC2)C1)[C@H](CO)c1cccc(Cl)c1Cl ZINC000912462543 664288234 /nfs/dbraw/zinc/28/82/34/664288234.db2.gz MDRXUNRSOREIHU-MRXNPFEDSA-N 1 0 387.307 2.596 20 0 GFADRO O=C(c1cnn(-c2ccccc2)c1Br)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000912911585 664309767 /nfs/dbraw/zinc/30/97/67/664309767.db2.gz LFCCYAGLWLSMDD-CQSZACIVSA-N 1 0 375.270 2.555 20 0 GFADRO C[NH+](C)CCn1nccc1C(=O)N1CCc2ccc(F)c(Br)c2C1 ZINC000912983018 664315344 /nfs/dbraw/zinc/31/53/44/664315344.db2.gz SFBCWEZFTHJCLA-UHFFFAOYSA-N 1 0 395.276 2.545 20 0 GFADRO C[N@@H+]1C[C@@]2(C)CN(C(=O)c3cn4c(Br)cnc4s3)C[C@@]2(C)C1 ZINC000913277407 664330983 /nfs/dbraw/zinc/33/09/83/664330983.db2.gz TZJDUCXXWTWWPU-GASCZTMLSA-N 1 0 383.315 2.572 20 0 GFADRO C[NH+](C)CCn1nccc1C(=O)N[C@@H](CCO)c1cc(Cl)cc(Cl)c1 ZINC000913335395 664332602 /nfs/dbraw/zinc/33/26/02/664332602.db2.gz SMMVYSCZUOXWHV-HNNXBMFYSA-N 1 0 385.295 2.605 20 0 GFADRO C[NH+](C)C1(C)CCN(C(=O)/C=C\c2ccc(I)o2)CC1 ZINC000913387492 664334331 /nfs/dbraw/zinc/33/43/31/664334331.db2.gz SHBCMJPNOILRBT-ALCCZGGFSA-N 1 0 388.249 2.840 20 0 GFADRO C[NH+]1CCC(n2cc(NC(=O)C[S@](=O)c3ccc(Cl)cc3)cn2)CC1 ZINC000913658850 664347939 /nfs/dbraw/zinc/34/79/39/664347939.db2.gz BOBUYSXLHSQIME-VWLOTQADSA-N 1 0 380.901 2.550 20 0 GFADRO C[NH+](C)CC1(O)CCN(C(=O)c2cccc(Br)c2Cl)CC1 ZINC000913678628 664349247 /nfs/dbraw/zinc/34/92/47/664349247.db2.gz QDHLQMIXFNWMOD-UHFFFAOYSA-N 1 0 375.694 2.631 20 0 GFADRO C[NH+](C)CC1(O)CCN(C(=O)Cc2cc(Br)ccc2Cl)CC1 ZINC000913682986 664350064 /nfs/dbraw/zinc/35/00/64/664350064.db2.gz HIGPZSPTKOPEIU-UHFFFAOYSA-N 1 0 389.721 2.560 20 0 GFADRO C[C@H](C(=O)N1CC[NH+](CCCCCO)CC1)c1ccc(Br)cc1 ZINC000913692710 664350658 /nfs/dbraw/zinc/35/06/58/664350658.db2.gz XMUPEGZFCXIODB-HNNXBMFYSA-N 1 0 383.330 2.859 20 0 GFADRO C[C@H](CNC(=O)NCc1nc2c(s1)CCC2)N1CCc2sccc2C1 ZINC000914193336 664384208 /nfs/dbraw/zinc/38/42/08/664384208.db2.gz WSCJNKUGDYOAIZ-GFCCVEGCSA-N 1 0 376.551 2.939 20 0 GFADRO O=S(=O)(c1occc1Br)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000914273899 664393291 /nfs/dbraw/zinc/39/32/91/664393291.db2.gz UWTLMBQQSKQKFT-FZMZJTMJSA-N 1 0 389.315 2.680 20 0 GFADRO O=S(=O)(c1occc1Br)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000914273900 664393591 /nfs/dbraw/zinc/39/35/91/664393591.db2.gz UWTLMBQQSKQKFT-RISCZKNCSA-N 1 0 389.315 2.680 20 0 GFADRO Cc1csc(C)c1S(=O)(=O)N1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000914304596 664397203 /nfs/dbraw/zinc/39/72/03/664397203.db2.gz CMLYMDPJIWJMFW-UHFFFAOYSA-N 1 0 385.599 2.544 20 0 GFADRO CCC[N@@H+]1CC[C@@H](CNC(=O)NC2(c3ncc(Br)cn3)CCC2)C1 ZINC000914338480 664400934 /nfs/dbraw/zinc/40/09/34/664400934.db2.gz XYDZPIILMNOLEZ-ZDUSSCGKSA-N 1 0 396.333 2.649 20 0 GFADRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)N(C)Cc1ncc(Br)cn1 ZINC000914341007 664401415 /nfs/dbraw/zinc/40/14/15/664401415.db2.gz JYNJKKMWLIYSAR-QWHCGFSZSA-N 1 0 384.322 2.501 20 0 GFADRO CNC(=O)c1ccc(C[NH2+]C[C@H](O)COc2ccc(Cl)c(Cl)c2)cc1 ZINC000914580848 664412295 /nfs/dbraw/zinc/41/22/95/664412295.db2.gz WZRBYLMGYDXEQH-AWEZNQCLSA-N 1 0 383.275 2.883 20 0 GFADRO C[NH+](C)C1CCN(C(=O)Nc2cc3c(cc2Br)OCCO3)CC1 ZINC000915315465 664427585 /nfs/dbraw/zinc/42/75/85/664427585.db2.gz QEJZSOIHNLDCJX-UHFFFAOYSA-N 1 0 384.274 2.778 20 0 GFADRO O=C(NC[C@H]1CC1(Cl)Cl)C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000915728747 664439028 /nfs/dbraw/zinc/43/90/28/664439028.db2.gz ZRWYHBGMRDMNGF-CQSZACIVSA-N 1 0 384.307 2.921 20 0 GFADRO COc1ccc([C@@H](CNC(=O)NC[C@@H]2CC2(Cl)Cl)[NH+](C)C)cc1OC ZINC000915898065 664443850 /nfs/dbraw/zinc/44/38/50/664443850.db2.gz QBKBQMRQUKSDKC-QWHCGFSZSA-N 1 0 390.311 2.800 20 0 GFADRO C[C@@H](CNC(=O)NCc1cn(C)nc1Br)[N@H+](C)Cc1ccccc1 ZINC000917872802 664491673 /nfs/dbraw/zinc/49/16/73/664491673.db2.gz JBZGKSONGQTXGE-ZDUSSCGKSA-N 1 0 394.317 2.502 20 0 GFADRO C[N@H+]1C[C@]2(C)CN(S(=O)(=O)c3cnc(Cl)cc3C(F)(F)F)C[C@]2(C)C1 ZINC000918370354 664498560 /nfs/dbraw/zinc/49/85/60/664498560.db2.gz XCCUQSSDDDOYMQ-OKILXGFUSA-N 1 0 397.850 2.716 20 0 GFADRO C[C@@H](CNC(=O)C(=O)Nc1ccc(F)cc1Br)[NH+]1CCCCC1 ZINC000918465514 664499386 /nfs/dbraw/zinc/49/93/86/664499386.db2.gz OXLVIIBQVMHVPX-NSHDSACASA-N 1 0 386.265 2.517 20 0 GFADRO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2S(=O)(=O)Cc1ccsc1Br ZINC000919286641 664510868 /nfs/dbraw/zinc/51/08/68/664510868.db2.gz FUUOACYRFPAUIU-RYUDHWBXSA-N 1 0 379.345 2.509 20 0 GFADRO CO[C@]1(CNC(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)CCSC1 ZINC000920283316 664524356 /nfs/dbraw/zinc/52/43/56/664524356.db2.gz ZBQGZWMWORMCKD-LESCRADOSA-N 1 0 383.583 2.952 20 0 GFADRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N(C)Cc2ncc(Br)cn2)C1 ZINC000921566007 664553538 /nfs/dbraw/zinc/55/35/38/664553538.db2.gz RJVXBCBMJVXRAL-AWEZNQCLSA-N 1 0 398.349 2.749 20 0 GFADRO Brc1ccc(N2CC[C@@H](C[NH2+]Cc3cnc4n3CCOC4)C2)cc1 ZINC000921577305 664554949 /nfs/dbraw/zinc/55/49/49/664554949.db2.gz HJNZAVCZADUZMZ-AWEZNQCLSA-N 1 0 391.313 2.792 20 0 GFADRO Cc1cccc(C[NH2+]CC2CCN(S(C)(=O)=O)CC2)c1Br ZINC000921631812 664558395 /nfs/dbraw/zinc/55/83/95/664558395.db2.gz LLUDWPMNZNCQGG-UHFFFAOYSA-N 1 0 375.332 2.519 20 0 GFADRO C[NH+](C)CC[C@H](NC(=O)N[C@@H]1CC[C@H]2SCCS[C@@H]12)c1cccnc1 ZINC000921698156 664561621 /nfs/dbraw/zinc/56/16/21/664561621.db2.gz OUGURGQALSDSNV-HZMVEIRTSA-N 1 0 380.583 2.753 20 0 GFADRO CCn1c(C[NH2+]C[C@@]2(C)CCOC2)nc(Br)c1Br ZINC000921736775 664565672 /nfs/dbraw/zinc/56/56/72/664565672.db2.gz LLOQMLPGEMCROP-GFCCVEGCSA-N 1 0 381.112 2.944 20 0 GFADRO O[C@H](C[NH2+][C@@H]1CC[C@H]2COCC[C@H]2C1)COc1ccccc1Br ZINC000921856438 664573069 /nfs/dbraw/zinc/57/30/69/664573069.db2.gz KWXNOHCYEAMGJM-CAOSSQGBSA-N 1 0 384.314 2.984 20 0 GFADRO CC(C)c1ccc(Cl)c(S(=O)(=O)NC[C@H]2CC[N@@H+]2C2CCOCC2)c1 ZINC000921912292 664576058 /nfs/dbraw/zinc/57/60/58/664576058.db2.gz XUBQEJMSPQXUSZ-MRXNPFEDSA-N 1 0 386.945 2.995 20 0 GFADRO NC(=O)C[C@@H]([NH2+]Cc1cc2c(cc(F)cc2Br)[nH]1)C1CCOCC1 ZINC000921947058 664578022 /nfs/dbraw/zinc/57/80/22/664578022.db2.gz DEYRATOVXMPOHM-OAHLLOKOSA-N 1 0 398.276 2.830 20 0 GFADRO Cn1nc2c(c1C[NH2+][C@H]1CCN(c3cccc(Br)c3)C1=O)CCC2 ZINC000922070190 664584059 /nfs/dbraw/zinc/58/40/59/664584059.db2.gz PJYKDVAPYQYPEK-INIZCTEOSA-N 1 0 389.297 2.566 20 0 GFADRO CC[N@@H+]1CC[C@@H]1CNC(=O)c1c(Cl)ccc(I)c1F ZINC000922168913 664588693 /nfs/dbraw/zinc/58/86/93/664588693.db2.gz ORRDMZNGTPWCGE-MRVPVSSYSA-N 1 0 396.631 2.908 20 0 GFADRO Cc1cc(C[NH2+][C@@H](CO)[C@H]2CCCOC2)c(C)cc1I ZINC000922187144 664589677 /nfs/dbraw/zinc/58/96/77/664589677.db2.gz ZLDRURCXMGIUNY-BBRMVZONSA-N 1 0 389.277 2.785 20 0 GFADRO CCn1ncnc1CNc1cc(Br)ccc1N(C)CC[NH+](C)C ZINC000922204148 664589979 /nfs/dbraw/zinc/58/99/79/664589979.db2.gz GDQPKCUWRJKQOL-UHFFFAOYSA-N 1 0 381.322 2.670 20 0 GFADRO CCn1c(C[NH2+][C@H](C)C2(CO)CC2)nc(Br)c1Br ZINC000922245683 664591553 /nfs/dbraw/zinc/59/15/53/664591553.db2.gz TYLFFQUSSQPLGZ-MRVPVSSYSA-N 1 0 381.112 2.679 20 0 GFADRO CCn1c(CNCC[C@H](C)[NH+](C)C)nc(Br)c1Br ZINC000922254378 664591703 /nfs/dbraw/zinc/59/17/03/664591703.db2.gz JHVKLQCRZCESRL-VIFPVBQESA-N 1 0 382.144 2.858 20 0 GFADRO COC(OC)[C@@H](C)[NH2+]C1CCN(C(=O)c2ccc(Br)cc2C)CC1 ZINC000922313685 664594465 /nfs/dbraw/zinc/59/44/65/664594465.db2.gz UMAOYUCCKKCEDL-CYBMUJFWSA-N 1 0 399.329 2.959 20 0 GFADRO Cc1ccnc(CN[C@@H]2C[C@@]3(C[N@@H+](C)[C@@H]3C(C)C)C[C@H]2O)c1Br ZINC000922391375 664598503 /nfs/dbraw/zinc/59/85/03/664598503.db2.gz VRJFIGBMUFPQMI-UWIFEVILSA-N 1 0 382.346 2.722 20 0 GFADRO Cc1nnc([C@@H]2OCC[C@@H]2C[NH2+]Cc2nc3cc(Br)ccc3o2)[nH]1 ZINC000922408374 664600396 /nfs/dbraw/zinc/60/03/96/664600396.db2.gz OPXKOFJACMWPKY-MEBBXXQBSA-N 1 0 392.257 2.884 20 0 GFADRO C[C@H](NC(=O)NCc1cn(C)nc1Br)[C@@H](c1ccccc1)[NH+](C)C ZINC000922412388 664600535 /nfs/dbraw/zinc/60/05/35/664600535.db2.gz CSDOATXZBFFWMT-WFASDCNBSA-N 1 0 394.317 2.673 20 0 GFADRO CC[C@@H](C)[NH2+][C@H](CNC(=O)NCc1cnc(Br)cn1)c1ccco1 ZINC000922424653 664601201 /nfs/dbraw/zinc/60/12/01/664601201.db2.gz PXOXDJFVLVXIBM-DGCLKSJQSA-N 1 0 396.289 2.761 20 0 GFADRO Cc1nn(C)c(OCC(F)(F)F)c1C[NH2+]C[C@H]1CC[C@@H](C(F)(F)F)O1 ZINC000922465108 664602843 /nfs/dbraw/zinc/60/28/43/664602843.db2.gz XQPRDWPDVHWANJ-KOLCDFICSA-N 1 0 375.313 2.869 20 0 GFADRO NS(=O)(=O)c1cc(C[NH2+]CC[C@H]2CC[C@@H](C(F)(F)F)O2)ccc1Cl ZINC000922676134 664610450 /nfs/dbraw/zinc/61/04/50/664610450.db2.gz HDURGRZCKVCECP-MFKMUULPSA-N 1 0 386.823 2.577 20 0 GFADRO CCS(=O)(=O)c1ccccc1CC[NH2+]Cc1cccnc1Br ZINC000922684621 664610785 /nfs/dbraw/zinc/61/07/85/664610785.db2.gz RSPPAFJZURHBMK-UHFFFAOYSA-N 1 0 383.311 2.970 20 0 GFADRO COc1cc(Br)cc(CNC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000922736991 664612718 /nfs/dbraw/zinc/61/27/18/664612718.db2.gz DZSKEVYABPICNP-GOOCMWNKSA-N 1 0 382.302 2.882 20 0 GFADRO O=C1C[C@@H](CC[NH2+]Cc2cc(Br)c(Br)s2)CN1 ZINC000922780087 664614299 /nfs/dbraw/zinc/61/42/99/664614299.db2.gz GDWSADAESANYCI-SSDOTTSWSA-N 1 0 382.121 2.889 20 0 GFADRO Cn1cc([C@@H]2OCCC[C@H]2C[NH2+]CC2(n3cc(Br)cn3)CC2)cn1 ZINC000922803261 664614853 /nfs/dbraw/zinc/61/48/53/664614853.db2.gz XLBKVDVLOYEFDR-XJKSGUPXSA-N 1 0 394.317 2.626 20 0 GFADRO Brc1cnn(C2(C[NH2+]C3CCN(c4nccs4)CC3)CC2)c1 ZINC000922803330 664615162 /nfs/dbraw/zinc/61/51/62/664615162.db2.gz ZOLCGTIYBRXANN-UHFFFAOYSA-N 1 0 382.331 2.850 20 0 GFADRO C[N@@H+]1CCC[C@H](CCNC(=O)NC2(c3ncc(Br)cn3)CCC2)C1 ZINC000922852956 664616701 /nfs/dbraw/zinc/61/67/01/664616701.db2.gz OJEOEYFXJVYWCI-CYBMUJFWSA-N 1 0 396.333 2.649 20 0 GFADRO Cc1nn(-c2cccc(Br)c2)cc1C[NH2+]CCO[C@H]1CCOC1 ZINC000922937129 664619379 /nfs/dbraw/zinc/61/93/79/664619379.db2.gz UGJCBSWQVSWLGQ-KRWDZBQOSA-N 1 0 380.286 2.838 20 0 GFADRO Cn1nccc1[C@H](O)C[NH2+]Cc1ccc(OC(F)F)c(Br)c1 ZINC000922975149 664620426 /nfs/dbraw/zinc/62/04/26/664620426.db2.gz WJJNNHDHAUIRTF-GFCCVEGCSA-N 1 0 376.201 2.607 20 0 GFADRO Cn1nnc2c1C[C@H]([NH2+]Cc1cc3c(cc(F)cc3Br)[nH]1)CC2 ZINC000922992493 664620645 /nfs/dbraw/zinc/62/06/45/664620645.db2.gz QDXAJDZRYKATPU-SNVBAGLBSA-N 1 0 378.249 2.845 20 0 GFADRO O[C@H]1C[C@@H]([NH2+]Cc2nc(-c3ccc(Br)cc3)c[nH]2)C12CCOCC2 ZINC000923017498 664621274 /nfs/dbraw/zinc/62/12/74/664621274.db2.gz BJRQEHNXCNFBFB-CVEARBPZSA-N 1 0 392.297 2.859 20 0 GFADRO [NH3+]C[C@@H]1CN(C[C@@H](O)c2cccc(Br)c2)CC[C@@H]1C(F)(F)F ZINC000923400749 664629897 /nfs/dbraw/zinc/62/98/97/664629897.db2.gz DRJTXBRDGIUTIU-KWCYVHTRSA-N 1 0 381.236 2.942 20 0 GFADRO Cc1sc(CNS(=O)(=O)[C@H]2CCC[NH2+]C2)nc1-c1ccc(Cl)cc1 ZINC000923594190 664634394 /nfs/dbraw/zinc/63/43/94/664634394.db2.gz GOXUGHRYHKOMBX-AWEZNQCLSA-N 1 0 385.942 2.943 20 0 GFADRO CN(C1CC[NH2+]CC1)S(=O)(=O)N1CCC[C@]1(C)Cc1ccc(Cl)s1 ZINC000923732733 664637234 /nfs/dbraw/zinc/63/72/34/664637234.db2.gz WUZDWAAKXJMCFB-MRXNPFEDSA-N 1 0 391.990 2.727 20 0 GFADRO Cc1ccsc1S(=O)(=O)N1C[C@@H](C[C@@H]2COCC[NH2+]2)c2ccccc21 ZINC000923743143 664637524 /nfs/dbraw/zinc/63/75/24/664637524.db2.gz HFTKYPMGTNMKBY-HUUCEWRRSA-N 1 0 378.519 2.728 20 0 GFADRO C[C@H]([NH2+]C1CCN(S(C)(=O)=O)CC1)c1ncc(C(F)(F)F)cc1Cl ZINC000924628238 664659048 /nfs/dbraw/zinc/65/90/48/664659048.db2.gz YLZGPVULGKBRCH-VIFPVBQESA-N 1 0 385.839 2.828 20 0 GFADRO C[NH+](C)C[C@H]1NC(=O)N(Cc2cc(Cl)cc(Cl)c2OC(F)F)C1=O ZINC000924729518 664660427 /nfs/dbraw/zinc/66/04/27/664660427.db2.gz LOGWXZSXPKRZQH-SNVBAGLBSA-N 1 0 382.194 2.577 20 0 GFADRO C[C@H]([NH2+]Cc1cc(F)ccc1Br)C1CCN(S(C)(=O)=O)CC1 ZINC000924801332 664662186 /nfs/dbraw/zinc/66/21/86/664662186.db2.gz BPLZOJOHXLZGEY-NSHDSACASA-N 1 0 393.322 2.738 20 0 GFADRO O=S(=O)(N1CCC(C[NH2+][C@@H]2CCOC23CCCCC3)CC1)C(F)(F)F ZINC000925040813 664665831 /nfs/dbraw/zinc/66/58/31/664665831.db2.gz PXWUQLAZFCESRF-CQSZACIVSA-N 1 0 384.464 2.629 20 0 GFADRO Cc1cnc(C2CCN(C(=O)N[C@@H]3CCC[N@@H+]4CCSC[C@H]34)CC2)s1 ZINC000925158837 664667639 /nfs/dbraw/zinc/66/76/39/664667639.db2.gz BGXBEVANMFXIIR-HZPDHXFCSA-N 1 0 380.583 2.920 20 0 GFADRO CC[N@@H+]1CCC[C@H](N2C(=O)N[C@H](c3ccc(OC)c(Br)c3)C2=O)C1 ZINC000925300514 664670167 /nfs/dbraw/zinc/67/01/67/664670167.db2.gz WLKNTJUYLPMBGA-SWLSCSKDSA-N 1 0 396.285 2.535 20 0 GFADRO CCC[N@@H+]1CC[C@@H](N2C(=O)[C@H](c3ccc(Br)s3)N(C)C2=O)C1 ZINC000925357950 664670922 /nfs/dbraw/zinc/67/09/22/664670922.db2.gz HZMZIVNJBZFDRU-MFKMUULPSA-N 1 0 386.315 2.930 20 0 GFADRO COc1ccnc([C@@H](C)[NH2+]C[C@@H](O)COc2ccccc2Br)c1 ZINC000925545051 664672978 /nfs/dbraw/zinc/67/29/78/664672978.db2.gz WLWOXRSICHJKQW-CHWSQXEVSA-N 1 0 381.270 2.943 20 0 GFADRO CS(=O)(=O)c1cc(CN[C@H]2CC[NH2+]C23CCCC3)cc(C(F)(F)F)c1 ZINC000925668712 664673889 /nfs/dbraw/zinc/67/38/89/664673889.db2.gz YNHFNKMJSXDOFF-HNNXBMFYSA-N 1 0 376.444 2.873 20 0 GFADRO CC[C@H](NC[C@H]1C[NH2+]CCC1(F)F)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000925776544 664674557 /nfs/dbraw/zinc/67/45/57/664674557.db2.gz LIEFZBMAMXNQSV-OCCSQVGLSA-N 1 0 395.903 2.534 20 0 GFADRO Cc1ccsc1[C@H](Cc1ccccc1)[NH2+]CC[C@H]1CNCCS1(=O)=O ZINC000925790736 664674764 /nfs/dbraw/zinc/67/47/64/664674764.db2.gz CMZFYPCBRQGGFT-ROUUACIJSA-N 1 0 378.563 2.707 20 0 GFADRO O=S1(=O)CCNC[C@@H]1CC[NH2+][C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000925791381 664674828 /nfs/dbraw/zinc/67/48/28/664674828.db2.gz GDZGNBRYHUOZQG-OALUTQOASA-N 1 0 378.925 2.796 20 0 GFADRO [NH3+][C@H]1CN(C(=O)Nc2cc3c(cc2Cl)OCCO3)CC[C@@H]1C(F)(F)F ZINC000925930498 664677598 /nfs/dbraw/zinc/67/75/98/664677598.db2.gz UVSSGHWWXSYLRF-WPRPVWTQSA-N 1 0 379.766 2.855 20 0 GFADRO COc1ccc(Br)c(NC(=O)NCCCCCN2CC[NH2+]CC2)c1 ZINC000926001522 664678904 /nfs/dbraw/zinc/67/89/04/664678904.db2.gz RXOAGJCGAAWWLN-UHFFFAOYSA-N 1 0 399.333 2.655 20 0 GFADRO C[C@@H]1CN(C(=O)Nc2ccc(F)cc2I)CC[C@H]1C[NH3+] ZINC000926056434 664680193 /nfs/dbraw/zinc/68/01/93/664680193.db2.gz YQZDFHPGRXTHKN-ZJUUUORDSA-N 1 0 391.228 2.879 20 0 GFADRO Cc1ccc(NC(=O)N2CC[C@H](C(F)(F)F)[C@H]([NH3+])C2)c(Br)n1 ZINC000926078095 664681052 /nfs/dbraw/zinc/68/10/52/664681052.db2.gz NZVWGRZRFJPPDT-DTWKUNHWSA-N 1 0 381.196 2.896 20 0 GFADRO CC1(C)CN(C(=O)Nc2cccc(F)c2I)C[C@H]1[NH3+] ZINC000926080178 664681094 /nfs/dbraw/zinc/68/10/94/664681094.db2.gz QNTMKJDJNYMKQB-SNVBAGLBSA-N 1 0 377.201 2.631 20 0 GFADRO COCCOc1ccc(Br)cc1NC(=O)N1C[C@@H]([NH3+])C(C)(C)C1 ZINC000926086429 664681413 /nfs/dbraw/zinc/68/14/13/664681413.db2.gz MFCKURLHUDRJJQ-CQSZACIVSA-N 1 0 386.290 2.675 20 0 GFADRO COCCOc1ccc(Br)cc1NC(=O)N1CC[C@H](CC[NH3+])C1 ZINC000926086454 664681414 /nfs/dbraw/zinc/68/14/14/664681414.db2.gz MWCJALLIGQXDLL-LBPRGKRZSA-N 1 0 386.290 2.677 20 0 GFADRO Cc1cnc(Br)cc1NC(=O)N1CC[C@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000926098262 664681598 /nfs/dbraw/zinc/68/15/98/664681598.db2.gz UVAUMSFTAOYTRY-IUCAKERBSA-N 1 0 381.196 2.896 20 0 GFADRO [NH3+][C@@]1(CO)CCCN(C(=O)Nc2ccc(C(F)(F)F)c(Br)c2)C1 ZINC000926099956 664681710 /nfs/dbraw/zinc/68/17/10/664681710.db2.gz PRBLIQYHFXDFGD-ZDUSSCGKSA-N 1 0 396.207 2.785 20 0 GFADRO C[NH2+]C[C@@H]1CCCCN1C(=O)Nc1ccnn1-c1ccc(Br)cn1 ZINC000926107847 664681970 /nfs/dbraw/zinc/68/19/70/664681970.db2.gz CWPYJGVIIAVAHL-ZDUSSCGKSA-N 1 0 393.289 2.636 20 0 GFADRO [NH3+]C[C@H]1CC2(CO1)CCN(C(=O)Nc1nc(CC(F)(F)F)cs1)CC2 ZINC000926131462 664682534 /nfs/dbraw/zinc/68/25/34/664682534.db2.gz YRVKUPCHWGKYIQ-LLVKDONJSA-N 1 0 378.420 2.610 20 0 GFADRO Cc1cc(Br)cn2cc(CC[NH2+][C@@H]3CCOC34CCOCC4)nc12 ZINC000926154484 664683218 /nfs/dbraw/zinc/68/32/18/664683218.db2.gz HDSNLMGGZDCMPN-MRXNPFEDSA-N 1 0 394.313 2.875 20 0 GFADRO Cc1cc(Br)c(Cl)cc1NC(=O)N1CCC[C@]([NH3+])(CO)C1 ZINC000926173034 664683968 /nfs/dbraw/zinc/68/39/68/664683968.db2.gz IBLDSZOMEYCOBD-CQSZACIVSA-N 1 0 376.682 2.728 20 0 GFADRO CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)c1sccc1Br)C2 ZINC000926182935 664684283 /nfs/dbraw/zinc/68/42/83/664684283.db2.gz LDOMXFOABJNAFJ-HLSYRSCKSA-N 1 0 387.343 2.720 20 0 GFADRO Cc1c(I)ccc(NC(=O)NCC2=CC[NH2+]CC2)c1C ZINC000926201071 664684717 /nfs/dbraw/zinc/68/47/17/664684717.db2.gz BBJFGXWECZEQCX-UHFFFAOYSA-N 1 0 385.249 2.949 20 0 GFADRO CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NC(=O)c3occc3Br)C2)[C@@H]1C(C)C ZINC000926245865 664685266 /nfs/dbraw/zinc/68/52/66/664685266.db2.gz AZIBEYJGYNOVBL-LNCBFAARSA-N 1 0 385.302 2.642 20 0 GFADRO CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NC(=O)c3ccnc(Cl)c3Cl)C2)[C@H]1C(C)C ZINC000926264053 664685887 /nfs/dbraw/zinc/68/58/87/664685887.db2.gz BCDDXXKFGHEICE-HOPMXRPOSA-N 1 0 386.323 2.988 20 0 GFADRO OC[C@@H](C[NH2+][C@@H]1CCOC12CCOCC2)Cc1cccc(Br)c1 ZINC000926282751 664686199 /nfs/dbraw/zinc/68/61/99/664686199.db2.gz DQPALBCFBGMTPS-NVXWUHKLSA-N 1 0 384.314 2.528 20 0 GFADRO CCn1nc(C)c([C@@H](C)[NH2+]C[C@H](CO)Cc2ccccc2Br)n1 ZINC000926285865 664686328 /nfs/dbraw/zinc/68/63/28/664686328.db2.gz WRMAVSQJXGOOIJ-TZMCWYRMSA-N 1 0 381.318 2.871 20 0 GFADRO O=S(=O)(NCCC[NH2+][C@H](C1CCC1)[C@H]1CCOC1)c1ccccc1Cl ZINC000926353329 664688423 /nfs/dbraw/zinc/68/84/23/664688423.db2.gz KOEXKXGUTNSWST-MAUKXSAKSA-N 1 0 386.945 2.803 20 0 GFADRO O=S(=O)(NCC[NH2+][C@@H](C1CC1)C1CCOCC1)c1ccc(Cl)cc1F ZINC000926356891 664688612 /nfs/dbraw/zinc/68/86/12/664688612.db2.gz LIEMIMDWLGRXMC-KRWDZBQOSA-N 1 0 390.908 2.552 20 0 GFADRO C[C@H]([NH2+]Cc1ccsc1Br)C1CCN(S(C)(=O)=O)CC1 ZINC000926368587 664688826 /nfs/dbraw/zinc/68/88/26/664688826.db2.gz XLVATDDQUWWBFX-JTQLQIEISA-N 1 0 381.361 2.660 20 0 GFADRO C[C@H]1COC[C@H](C)C1[NH2+]CCNS(=O)(=O)c1cccc(Cl)c1Cl ZINC000926410057 664689568 /nfs/dbraw/zinc/68/95/68/664689568.db2.gz NFWSEPKNEKFQCH-QWRGUYRKSA-N 1 0 381.325 2.532 20 0 GFADRO COc1ccc(Br)cc1C[C@H](CO)C[NH2+][C@@H](C)c1ccnnc1 ZINC000926541857 664691910 /nfs/dbraw/zinc/69/19/10/664691910.db2.gz KMLGWWAWIVQODR-STQMWFEESA-N 1 0 380.286 2.750 20 0 GFADRO O=C1NCC2(CCOCC2)[C@H]1[NH2+][C@H]1CSCc2ccc(Br)cc21 ZINC000926700076 664695619 /nfs/dbraw/zinc/69/56/19/664695619.db2.gz NCYJFISDLPQODT-GJZGRUSLSA-N 1 0 397.338 2.622 20 0 GFADRO C[C@@H]([NH2+]C[C@@H](O)c1ccc(Cl)c(Cl)c1)C1CCN(S(C)(=O)=O)CC1 ZINC000926722035 664695790 /nfs/dbraw/zinc/69/57/90/664695790.db2.gz PSRMFKICBOLEGX-BDJLRTHQSA-N 1 0 395.352 2.677 20 0 GFADRO CNS(=O)(=O)c1ccc(CC[NH2+][C@H]2COCc3cccc(Cl)c32)cc1 ZINC000926806048 664696656 /nfs/dbraw/zinc/69/66/56/664696656.db2.gz GIDPAVIUMMYSPN-KRWDZBQOSA-N 1 0 380.897 2.652 20 0 GFADRO C[C@@H]([NH2+]CCN1Cc2ccccc2OCC1=O)c1cccc(Br)n1 ZINC000926882961 664698445 /nfs/dbraw/zinc/69/84/45/664698445.db2.gz GCTBOEGZJAWVAX-CYBMUJFWSA-N 1 0 390.281 2.916 20 0 GFADRO C[C@@H]([NH2+]CC[C@H]1CNC(=O)C1)c1ccc(F)c(I)c1 ZINC000926981648 664701174 /nfs/dbraw/zinc/70/11/74/664701174.db2.gz XFJBXISPIWQSEY-NXEZZACHSA-N 1 0 376.213 2.607 20 0 GFADRO C[C@@H]([NH2+][C@@H]1CCc2nnn(C)c2C1)c1ccc(I)cc1 ZINC000927145300 664705229 /nfs/dbraw/zinc/70/52/29/664705229.db2.gz HSIOVIXCIQTNRI-ZWNOBZJWSA-N 1 0 382.249 2.628 20 0 GFADRO O=C(NC[C@@H]1CC[N@@H+]1C1CCOCC1)N1CCc2c1cccc2Br ZINC000927637349 664713119 /nfs/dbraw/zinc/71/31/19/664713119.db2.gz SPOSADGDLTXORN-AWEZNQCLSA-N 1 0 394.313 2.775 20 0 GFADRO CN(C)c1cc[nH+]c(CNC(=O)c2ccc(C(F)(F)Br)nc2)c1 ZINC000927691076 664714067 /nfs/dbraw/zinc/71/40/67/664714067.db2.gz QIMOPBNICMQJAD-UHFFFAOYSA-N 1 0 385.212 2.917 20 0 GFADRO C[C@@H]1CCN(C(=O)c2ccc(Cn3cc(Br)cn3)s2)C[C@@H]1[NH3+] ZINC000927773927 664715736 /nfs/dbraw/zinc/71/57/36/664715736.db2.gz HVCHWOZYAQVLTA-MFKMUULPSA-N 1 0 383.315 2.565 20 0 GFADRO C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)C(=O)Nc1cc(Cl)cc(C(F)(F)F)c1 ZINC000927818200 664716305 /nfs/dbraw/zinc/71/63/05/664716305.db2.gz HCXBCTPADWJKKX-NXEZZACHSA-N 1 0 377.794 2.659 20 0 GFADRO CSc1ccc(Cl)cc1NC(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000927849074 664716779 /nfs/dbraw/zinc/71/67/79/664716779.db2.gz NPJQAFWAXMRFMM-UWVGGRQHSA-N 1 0 395.834 2.739 20 0 GFADRO COc1c(Cl)cc(NC(=O)C(=O)NC[C@]23CCC[C@H]2[NH2+]CC3)cc1Cl ZINC000927870372 664716980 /nfs/dbraw/zinc/71/69/80/664716980.db2.gz SOOSFEHKKGFJGX-CXAGYDPISA-N 1 0 386.279 2.589 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC000927868886 664717003 /nfs/dbraw/zinc/71/70/03/664717003.db2.gz HJCFEALSJIOPAB-RDTXWAMCSA-N 1 0 394.313 2.653 20 0 GFADRO C[C@H]1CN(C(=O)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)CC[C@H]1C[NH3+] ZINC000927894258 664717477 /nfs/dbraw/zinc/71/74/77/664717477.db2.gz SUVOYSXSKBCFGJ-UWVGGRQHSA-N 1 0 377.794 2.741 20 0 GFADRO [NH3+][C@@H]1CC[C@H](CNC(=O)C(=O)Nc2ccccc2SCC(F)(F)F)C1 ZINC000927926681 664717923 /nfs/dbraw/zinc/71/79/23/664717923.db2.gz HNIYLSDBJWRGMS-WDEREUQCSA-N 1 0 375.416 2.523 20 0 GFADRO O=C(C1CC[NH+](C2CC2)CC1)N1CCC[C@H]1c1ncc(Br)cn1 ZINC000928355720 664729036 /nfs/dbraw/zinc/72/90/36/664729036.db2.gz BIYXDMSPIVFBPB-HNNXBMFYSA-N 1 0 379.302 2.777 20 0 GFADRO O=S(=O)(NC1CC[NH+](CCSc2ccncc2)CC1)c1cccs1 ZINC000929154927 664747223 /nfs/dbraw/zinc/74/72/23/664747223.db2.gz VYUXWLWKZIWALQ-UHFFFAOYSA-N 1 0 383.564 2.678 20 0 GFADRO Cc1cc(NC(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)ccc1Br ZINC000929172860 664747642 /nfs/dbraw/zinc/74/76/42/664747642.db2.gz KTNODIALPYFAHY-HOTGVXAUSA-N 1 0 382.302 2.820 20 0 GFADRO FC(F)(F)COCCC[NH+]1CCN(C[C@H]2CC[C@H](C(F)(F)F)O2)CC1 ZINC000929346335 664750704 /nfs/dbraw/zinc/75/07/04/664750704.db2.gz APVBTZDBOGWLRD-CHWSQXEVSA-N 1 0 378.357 2.683 20 0 GFADRO CC[NH+](CC)[C@H](CNC(=O)C(=O)N[C@H]1CCS[C@@H](C)C1)c1ccsc1 ZINC000929396127 664751667 /nfs/dbraw/zinc/75/16/67/664751667.db2.gz NBEWNXJQMMUQHP-CWRNSKLLSA-N 1 0 383.583 2.648 20 0 GFADRO Cc1ccc(Br)c2[nH]c(C(=O)NCCCN3CC[NH+](C)CC3)cc21 ZINC000929424124 664752116 /nfs/dbraw/zinc/75/21/16/664752116.db2.gz GGHOFIQRFDGOAH-UHFFFAOYSA-N 1 0 393.329 2.606 20 0 GFADRO COc1cc(Br)cc(C(=O)N2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000929445161 664752535 /nfs/dbraw/zinc/75/25/35/664752535.db2.gz AWASRISEKOLYSN-UHFFFAOYSA-N 1 0 376.254 2.815 20 0 GFADRO O=C(C[C@H]1C(=O)Nc2c1cccc2Br)NC1CC[NH+](C2CC2)CC1 ZINC000929617117 664754831 /nfs/dbraw/zinc/75/48/31/664754831.db2.gz DETQVFLRUKBZIU-CQSZACIVSA-N 1 0 392.297 2.618 20 0 GFADRO O=C(Nc1cccc(Br)c1)C1CC[NH+](CCO[C@H]2CCOC2)CC1 ZINC000929953943 664760201 /nfs/dbraw/zinc/76/02/01/664760201.db2.gz FWMYJLDDSUTWAW-KRWDZBQOSA-N 1 0 397.313 2.905 20 0 GFADRO CC(C)[N@H+](C)CCCNC(=O)C[C@@H]1C(=O)Nc2ccc(Br)cc21 ZINC000930181464 664764026 /nfs/dbraw/zinc/76/40/26/664764026.db2.gz AZKRLWIRZWRJHM-AWEZNQCLSA-N 1 0 382.302 2.721 20 0 GFADRO Cc1cc([C@@H]2CCC[N@@H+]2CC2CN(S(C)(=O)=O)C2)ccc1Br ZINC000930304862 664766649 /nfs/dbraw/zinc/76/66/49/664766649.db2.gz JNBDPBZDZVULFS-INIZCTEOSA-N 1 0 387.343 2.786 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)N1CCN(C)CC[N@H+](C)CC1 ZINC000930404661 664769620 /nfs/dbraw/zinc/76/96/20/664769620.db2.gz JEDOXLGXFUNPHB-UHFFFAOYSA-N 1 0 383.334 2.723 20 0 GFADRO COC(=O)c1cc(Br)c(CN2CC[C@H](n3cccn3)C2)cc1OC ZINC000930531072 664772394 /nfs/dbraw/zinc/77/23/94/664772394.db2.gz GRCRQVWXCONZGH-ZDUSSCGKSA-N 1 0 394.269 2.888 20 0 GFADRO Cc1nn(C)c(NC(=O)NC[C@H]2CC[N@@H+]2C)c1-c1ccc(Br)cc1 ZINC000930590584 664773928 /nfs/dbraw/zinc/77/39/28/664773928.db2.gz QZDWTKPSIKHIGV-CQSZACIVSA-N 1 0 392.301 2.984 20 0 GFADRO COc1cc(Br)cc(NC(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)c1 ZINC000930604499 664774093 /nfs/dbraw/zinc/77/40/93/664774093.db2.gz GVESRHHQGHNOOM-HOTGVXAUSA-N 1 0 398.301 2.521 20 0 GFADRO O=C(c1cc(Br)cn2ncnc12)N1CCC([NH+]2CCCCC2)CC1 ZINC000930634083 664775077 /nfs/dbraw/zinc/77/50/77/664775077.db2.gz HNFPQZVYJNVEHC-UHFFFAOYSA-N 1 0 392.301 2.582 20 0 GFADRO COC(=O)c1cc(NC(=O)N2CCC23CC[NH+](C)CC3)ccc1Br ZINC000930702067 664776661 /nfs/dbraw/zinc/77/66/61/664776661.db2.gz JFBCSTMOOAMXAL-UHFFFAOYSA-N 1 0 396.285 2.938 20 0 GFADRO C[C@]12CC[N@H+](C[C@@H]3C[C@H]4COC[C@@H]4O3)C[C@H]1C2(Br)Br ZINC000930926615 664781052 /nfs/dbraw/zinc/78/10/52/664781052.db2.gz ZFACELMNCYJHRV-NWBUJAPZSA-N 1 0 395.135 2.618 20 0 GFADRO Cc1nnc(CC[N@@H+]2CC[C@@]3(C)[C@@H](C2)C3(Br)Br)o1 ZINC000930926206 664781075 /nfs/dbraw/zinc/78/10/75/664781075.db2.gz QYKMQINRRCDMOU-KOLCDFICSA-N 1 0 379.096 2.748 20 0 GFADRO C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)c1ncc(Br)cn1 ZINC000930981254 664782312 /nfs/dbraw/zinc/78/23/12/664782312.db2.gz IDJWPVDZBNTLGC-UHFFFAOYSA-N 1 0 399.239 2.721 20 0 GFADRO CCOC(=O)[C@H](c1nc(Br)sc1C)N1CC[C@@H]([NH+](C)C)[C@H]1C ZINC000931038408 664783785 /nfs/dbraw/zinc/78/37/85/664783785.db2.gz QIUOBQMMQJSXDN-XWIASGKRSA-N 1 0 390.347 2.843 20 0 GFADRO O=C(Nc1ccc(-c2nncs2)cc1)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000931240833 664789121 /nfs/dbraw/zinc/78/91/21/664789121.db2.gz LRLITFHAKGNZCD-GJZGRUSLSA-N 1 0 375.523 2.906 20 0 GFADRO Cc1nc2c(c(=O)[nH]1)CN(CCC(=O)Nc1ccc(Br)cc1)C2 ZINC000931316360 664791201 /nfs/dbraw/zinc/79/12/01/664791201.db2.gz CPOKVOANUCVWOP-UHFFFAOYSA-N 1 0 377.242 2.598 20 0 GFADRO O[C@H](CN1CC[NH+](CCc2ccncc2)CC1)c1ccc(Br)cc1 ZINC000931340044 664792192 /nfs/dbraw/zinc/79/21/92/664792192.db2.gz WBKVTCKNDJCJAY-LJQANCHMSA-N 1 0 390.325 2.738 20 0 GFADRO C[N@H+](C[C@H](O)CCC1(O)CCC1)C[C@H](O)COc1cc(Cl)cc(Cl)c1 ZINC000931381284 664793231 /nfs/dbraw/zinc/79/32/31/664793231.db2.gz YHIZRMLTPDZBRO-CVEARBPZSA-N 1 0 392.323 2.721 20 0 GFADRO COC(=O)c1cc(NC(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)c(C)cc1Br ZINC000931406346 664794061 /nfs/dbraw/zinc/79/40/61/664794061.db2.gz NEAFOSRPSQWLCW-TXEJJXNPSA-N 1 0 396.285 2.569 20 0 GFADRO Cc1ccc([C@@H](CNC(=O)c2c(C)[nH]nc2Br)[NH+]2CCCC2)o1 ZINC000931470338 664795800 /nfs/dbraw/zinc/79/58/00/664795800.db2.gz DGWFJRXRUPNIKN-GFCCVEGCSA-N 1 0 381.274 2.949 20 0 GFADRO Nc1cc[nH+]c2c1CN(CCC(=O)Nc1cccc(Br)c1)CC2 ZINC000931514811 664797139 /nfs/dbraw/zinc/79/71/39/664797139.db2.gz FEDSTERYWZYGHE-UHFFFAOYSA-N 1 0 375.270 2.813 20 0 GFADRO O=C(Nc1nn(CC(F)(F)F)cc1Cl)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000931798192 664805192 /nfs/dbraw/zinc/80/51/92/664805192.db2.gz AJOSPCSMRJEPMC-MNOVXSKESA-N 1 0 397.854 2.800 20 0 GFADRO Cc1nc([C@H]2CC[N@H+](CCC(=O)Nc3ccc(Br)cc3)C2)no1 ZINC000931939543 664807543 /nfs/dbraw/zinc/80/75/43/664807543.db2.gz CBNDXDZRNVQMOJ-LBPRGKRZSA-N 1 0 379.258 2.959 20 0 GFADRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)Nc3cccc(Br)c3F)CC2)C1 ZINC000931950713 664807919 /nfs/dbraw/zinc/80/79/19/664807919.db2.gz KUZWXTFFEPEYEI-CYBMUJFWSA-N 1 0 399.308 2.832 20 0 GFADRO CN(CC1CC[NH+](C)CC1)C(=O)C[C@@H]1C(=O)Nc2ccc(Br)cc21 ZINC000931960795 664807997 /nfs/dbraw/zinc/80/79/97/664807997.db2.gz JSDXLXZCBGNPEH-HNNXBMFYSA-N 1 0 394.313 2.675 20 0 GFADRO C[C@]1(C2CCN(Cc3cn4cc(Br)ccc4n3)CC2)COC(=O)N1 ZINC000932096053 664810108 /nfs/dbraw/zinc/81/01/08/664810108.db2.gz QTBJUKCCIQLERA-QGZVFWFLSA-N 1 0 393.285 2.807 20 0 GFADRO C[C@@H]([NH2+][C@H]1CCOc2ccc(Br)cc21)C(=O)NC[C@H]1CCCO1 ZINC000932207528 664813361 /nfs/dbraw/zinc/81/33/61/664813361.db2.gz LFKZKZOZRSQFFA-KYOSRNDESA-N 1 0 383.286 2.546 20 0 GFADRO O=C(c1cnn2cccc(Br)c12)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000932274424 664817961 /nfs/dbraw/zinc/81/79/61/664817961.db2.gz XPIALWMLTBCVQB-ZDUSSCGKSA-N 1 0 377.286 2.797 20 0 GFADRO Cc1c(Br)ccc(F)c1C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000932620666 664830140 /nfs/dbraw/zinc/83/01/40/664830140.db2.gz AWAJFIQVSRDDHN-CYBMUJFWSA-N 1 0 398.320 2.795 20 0 GFADRO Cn1c(C(=O)N2CCC(C[NH+](C)C)CC2)cc2cc(Br)cnc21 ZINC000932711260 664832460 /nfs/dbraw/zinc/83/24/60/664832460.db2.gz IXOIXXCCYAHHIP-UHFFFAOYSA-N 1 0 379.302 2.750 20 0 GFADRO Cc1ccc(Br)c2cc(C(=O)NC[C@H](C)N3CC[NH+](C)CC3)[nH]c21 ZINC000932722527 664833321 /nfs/dbraw/zinc/83/33/21/664833321.db2.gz CLQLCAFEGYWIRD-ZDUSSCGKSA-N 1 0 393.329 2.605 20 0 GFADRO O=C1N[C@H](C2CC[NH+](C[C@H](O)COc3cc(Cl)cc(Cl)c3)CC2)CO1 ZINC000932773410 664836781 /nfs/dbraw/zinc/83/67/81/664836781.db2.gz UIMNHLJYRBJDJY-HOCLYGCPSA-N 1 0 389.279 2.554 20 0 GFADRO Cc1ncc(NC(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)c(C)c1Br ZINC000932774879 664836922 /nfs/dbraw/zinc/83/69/22/664836922.db2.gz KENCXQVJLAPSAG-LLVKDONJSA-N 1 0 399.333 2.770 20 0 GFADRO O=C1N[C@@H](C2CC[NH+](C[C@H](O)COc3ccc(Cl)cc3Cl)CC2)CO1 ZINC000932783727 664838103 /nfs/dbraw/zinc/83/81/03/664838103.db2.gz BKFFYWPFSXNQSJ-DZGCQCFKSA-N 1 0 389.279 2.554 20 0 GFADRO Cc1ncc(NC(=O)N2CCC([N@H+](C)CCCO)CC2)c(C)c1Br ZINC000932783585 664838115 /nfs/dbraw/zinc/83/81/15/664838115.db2.gz TZOVZTJLNXEHHY-UHFFFAOYSA-N 1 0 399.333 2.771 20 0 GFADRO O=C1OCCN1CCC[N@H+]1CCC[C@@](O)(c2ccc(Br)cc2)C1 ZINC000932808557 664839465 /nfs/dbraw/zinc/83/94/65/664839465.db2.gz GQPDSYOOLNYBBR-KRWDZBQOSA-N 1 0 383.286 2.575 20 0 GFADRO Cc1[nH]nc(Br)c1C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000932880329 664841764 /nfs/dbraw/zinc/84/17/64/664841764.db2.gz PDXFWEIWAARFGW-CQSZACIVSA-N 1 0 377.286 2.875 20 0 GFADRO O[C@H](COc1ccc(Cl)cc1Cl)C[NH+]1CCC2(CC1)C[C@@H](O)CCO2 ZINC000933067034 664849009 /nfs/dbraw/zinc/84/90/09/664849009.db2.gz RJTSHAHVVOCHTK-GJZGRUSLSA-N 1 0 390.307 2.739 20 0 GFADRO O[C@@H](COc1c(Cl)cccc1Cl)C[NH+]1CCC2(CC1)C[C@@H](O)CCO2 ZINC000933066338 664849063 /nfs/dbraw/zinc/84/90/63/664849063.db2.gz NHTQOXCYZALHBP-UONOGXRCSA-N 1 0 390.307 2.739 20 0 GFADRO Cn1c(C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)cc2cc(Br)cnc21 ZINC000933333525 664859735 /nfs/dbraw/zinc/85/97/35/664859735.db2.gz MDSFXNPEBDSPDQ-CYBMUJFWSA-N 1 0 391.313 2.894 20 0 GFADRO C[C@](CO)(Cc1ccc(Br)cc1)[NH2+]C[C@@H]1CC2(CCC2)C(=O)O1 ZINC000933438840 664864241 /nfs/dbraw/zinc/86/42/41/664864241.db2.gz GJZAPTULQAARPG-DOTOQJQBSA-N 1 0 382.298 2.818 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2nc(Br)c3ccccn32)[C@@H](C)C1 ZINC000933439982 664864407 /nfs/dbraw/zinc/86/44/07/664864407.db2.gz WRXLWGWWAYTMQL-STQMWFEESA-N 1 0 379.302 2.899 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cnn3cccc(Br)c23)[C@@H](C)C1 ZINC000933440087 664864440 /nfs/dbraw/zinc/86/44/40/664864440.db2.gz XTEYYPIPPVJHSI-SWLSCSKDSA-N 1 0 379.302 2.899 20 0 GFADRO Cn1nc(C2CC2)nc1C[NH2+][C@@](C)(CO)Cc1ccc(Br)cc1 ZINC000933441891 664864675 /nfs/dbraw/zinc/86/46/75/664864675.db2.gz PZSTUMUXGITUSD-QGZVFWFLSA-N 1 0 379.302 2.538 20 0 GFADRO COc1ccc(C[C@](C)(CO)[NH2+]Cc2cccc(Br)n2)cc1OC ZINC000933447506 664864982 /nfs/dbraw/zinc/86/49/82/664864982.db2.gz FHYQDBBSCWUXCA-GOSISDBHSA-N 1 0 395.297 2.945 20 0 GFADRO Cc1cn2c(nc(C[NH2+][C@@](C)(CO)Cc3ccc(Cl)cc3)cc2=O)s1 ZINC000933446056 664865035 /nfs/dbraw/zinc/86/50/35/664865035.db2.gz TUHHEZDPLQXSMD-GOSISDBHSA-N 1 0 377.897 2.801 20 0 GFADRO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2ncccc2Br)cc1OC ZINC000933446952 664865046 /nfs/dbraw/zinc/86/50/46/664865046.db2.gz CFFAUWGBWIKIII-SFHVURJKSA-N 1 0 395.297 2.945 20 0 GFADRO C[C@](CO)(Cc1ccc(Cl)cc1)[NH2+]CC(=O)N1CCc2sccc2C1 ZINC000933449455 664865207 /nfs/dbraw/zinc/86/52/07/664865207.db2.gz OQTLDLIZFGDIFP-LJQANCHMSA-N 1 0 378.925 2.870 20 0 GFADRO C[N@@H+]1C[C@@H]2CN(Cc3nnc(-c4ccccc4Br)o3)C[C@]2(C)C1 ZINC000933748746 664876880 /nfs/dbraw/zinc/87/68/80/664876880.db2.gz YGAIILAGUAJGSR-PXAZEXFGSA-N 1 0 377.286 2.883 20 0 GFADRO O=Cc1cc(C(=O)NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c(Cl)s1 ZINC000933823930 664878946 /nfs/dbraw/zinc/87/89/46/664878946.db2.gz APAMQIVFDBBFAE-GOSISDBHSA-N 1 0 378.881 2.581 20 0 GFADRO Cn1cc([C@@H]2CSCCCN2CC(=O)NCc2cccc(Cl)c2)cn1 ZINC000933978364 664883366 /nfs/dbraw/zinc/88/33/66/664883366.db2.gz MDUXBWFKXNIAMM-KRWDZBQOSA-N 1 0 378.929 2.870 20 0 GFADRO COCCOc1ccc(NC(=O)N[C@H]2CC[N@H+](C)[C@H]2C)cc1Br ZINC000933991963 664885998 /nfs/dbraw/zinc/88/59/98/664885998.db2.gz VDOVROICJHMCLW-FZMZJTMJSA-N 1 0 386.290 2.688 20 0 GFADRO O=C(NC1CC[NH+](C2CCCC2)CC1)c1cc(Br)cn2ncnc12 ZINC000934172355 664891576 /nfs/dbraw/zinc/89/15/76/664891576.db2.gz PFMBLNCSIKSGJR-UHFFFAOYSA-N 1 0 392.301 2.629 20 0 GFADRO O[C@H](C[NH2+][C@H]1CCOC12CCOCC2)COc1cc(Cl)cc(Cl)c1 ZINC000934403112 664905838 /nfs/dbraw/zinc/90/58/38/664905838.db2.gz ULJVZBZRMDBPCE-ZBFHGGJFSA-N 1 0 376.280 2.661 20 0 GFADRO C[C@@](CO)([NH2+]CC(=O)NC(C1CC1)C1CC1)c1cccc(Br)c1 ZINC000934496611 664908880 /nfs/dbraw/zinc/90/88/80/664908880.db2.gz MRRGOEBRHCGTCW-SFHVURJKSA-N 1 0 381.314 2.551 20 0 GFADRO C[C@@H]1C[C@H](C[NH2+][C@@H](CO)c2ccccc2I)CCO1 ZINC000934828772 664926161 /nfs/dbraw/zinc/92/61/61/664926161.db2.gz SYEMPZHWFVSZBG-JMSVASOKSA-N 1 0 375.250 2.729 20 0 GFADRO Cc1ccc(Br)c(C(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)n1 ZINC000934915753 664930008 /nfs/dbraw/zinc/93/00/08/664930008.db2.gz ZYVARFNPTVNCNQ-JKSUJKDBSA-N 1 0 396.329 2.650 20 0 GFADRO Cc1cc(C(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)oc1Br ZINC000934915214 664930074 /nfs/dbraw/zinc/93/00/74/664930074.db2.gz WPDPTZSVSYSBLM-UONOGXRCSA-N 1 0 385.302 2.848 20 0 GFADRO Cc1c(Br)ccc(F)c1C(=O)NCCCC[N@@H+]1CCC[C@H]1CO ZINC000934955916 664931897 /nfs/dbraw/zinc/93/18/97/664931897.db2.gz ZWUUMAFKPLLDTP-ZDUSSCGKSA-N 1 0 387.293 2.863 20 0 GFADRO O=C(N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)C1(n2cc(Br)cn2)CC1 ZINC000935012569 664933784 /nfs/dbraw/zinc/93/37/84/664933784.db2.gz OAMKAFWJEMFZEQ-XJKSGUPXSA-N 1 0 393.329 2.610 20 0 GFADRO COc1cc(Br)cc(C(=O)N2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)c1 ZINC000935019361 664934462 /nfs/dbraw/zinc/93/44/62/664934462.db2.gz UUHHJCUMGAXLMV-HYVNUMGLSA-N 1 0 397.313 2.781 20 0 GFADRO Cc1[nH]nc(Br)c1C(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000935029801 664934715 /nfs/dbraw/zinc/93/47/15/664934715.db2.gz BHJMSTBKVVWQEH-GFCCVEGCSA-N 1 0 392.301 2.831 20 0 GFADRO O=C(c1ncc(Br)cn1)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000935044779 664936030 /nfs/dbraw/zinc/93/60/30/664936030.db2.gz CBRAVDJDGBCZQF-UHFFFAOYSA-N 1 0 381.318 2.967 20 0 GFADRO C[C@@H](NC(=O)C[C@H]1C(=O)Nc2ccc(Br)cc21)C1=CC[N@H+](C)CC1 ZINC000935311898 664952946 /nfs/dbraw/zinc/95/29/46/664952946.db2.gz FPTQXNHBHFUIFX-IAQYHMDHSA-N 1 0 392.297 2.642 20 0 GFADRO C[C@@H](NC(=O)C[C@@H]1C(=O)Nc2c1cccc2Br)C1=CC[N@H+](C)CC1 ZINC000935314083 664953032 /nfs/dbraw/zinc/95/30/32/664953032.db2.gz UIKZAKLSFWNFJB-RISCZKNCSA-N 1 0 392.297 2.642 20 0 GFADRO C[NH+](C)[C@@H]1CCCN(C(=O)C[C@@H]2C(=O)Nc3c2cccc3Br)CC1 ZINC000935650309 664977418 /nfs/dbraw/zinc/97/74/18/664977418.db2.gz XXUQYBOQOCCJFJ-OCCSQVGLSA-N 1 0 394.313 2.818 20 0 GFADRO O=C(C/C=C\c1ccc(Br)cc1)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000935984439 665002425 /nfs/dbraw/zinc/00/24/25/665002425.db2.gz MSJQZAUAEDCIPC-LEYPSHCCSA-N 1 0 379.298 2.520 20 0 GFADRO Cc1ccc2[nH]c(C(=O)N3CC[C@@H]([N@@H+]4CC[C@H](O)C4)C3)cc2c1Br ZINC000935981853 665002479 /nfs/dbraw/zinc/00/24/79/665002479.db2.gz TVIPEEALRWPULF-OLZOCXBDSA-N 1 0 392.297 2.520 20 0 GFADRO O=C(NC1CC2(C1)CC([NH2+]Cc1csc(Cl)n1)C2)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000965229178 665014671 /nfs/dbraw/zinc/01/46/71/665014671.db2.gz FHSLSTDZNHVCPO-WKRVEMLSSA-N 1 0 381.929 2.881 20 0 GFADRO Cc1csc(Cl)c1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H]1CC[N@@H+](C)C1 ZINC000999034008 665042100 /nfs/dbraw/zinc/04/21/00/665042100.db2.gz WTKKIDUVDUGXTA-CRWXNKLISA-N 1 0 381.929 2.523 20 0 GFADRO C[C@H]1CCC[N@@H+]1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1csc(Cl)c1 ZINC001000459597 665046681 /nfs/dbraw/zinc/04/66/81/665046681.db2.gz NVARMRLVPKREGW-ATGSNQNLSA-N 1 0 381.929 2.748 20 0 GFADRO C[N@@H+]1CCCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(Cl)s1)C2 ZINC001000585714 665047346 /nfs/dbraw/zinc/04/73/46/665047346.db2.gz NCADEYJFYVNLFL-RFGFWPKPSA-N 1 0 381.929 2.748 20 0 GFADRO O=C([C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)N1CC[C@H]([NH2+]Cc2cscc2Br)C1 ZINC001019169667 665073125 /nfs/dbraw/zinc/07/31/25/665073125.db2.gz CEZHZQMGLYHZPO-GHJPUPADSA-N 1 0 397.338 2.625 20 0 GFADRO COc1cccc([C@H](CNC(=O)c2cc(Br)cn2C)[NH+](C)C)c1 ZINC000120192689 677395801 /nfs/dbraw/zinc/39/58/01/677395801.db2.gz GBCKWGNEACAPNF-INIZCTEOSA-N 1 0 380.286 2.829 20 0 GFADRO C[C@H](CNC(=O)/C=C/c1ccc(I)o1)C[NH+]1CCCC1 ZINC000120702722 677397420 /nfs/dbraw/zinc/39/74/20/677397420.db2.gz ZBMZGKSLBTWHNV-HOSRBBHYSA-N 1 0 388.249 2.746 20 0 GFADRO O=S1(=O)CCC(C[NH2+]Cc2nc(-c3cccc(Br)c3)c[nH]2)CC1 ZINC000120852157 677397981 /nfs/dbraw/zinc/39/79/81/677397981.db2.gz XNRIZWLBXMEPQL-UHFFFAOYSA-N 1 0 398.326 2.754 20 0 GFADRO O=C(C[N@H+]1CCC[C@H]1Cc1ccc(Br)cc1)NC[C@@H]1CCCO1 ZINC000143433764 677402170 /nfs/dbraw/zinc/40/21/70/677402170.db2.gz WXZGCRHXCOUFAW-IRXDYDNUSA-N 1 0 381.314 2.751 20 0 GFADRO CCN1CC[NH+](C[C@H](C)CNC(=S)NCCSc2ccccc2)CC1 ZINC000145280519 677402423 /nfs/dbraw/zinc/40/24/23/677402423.db2.gz DOCWVMPNGVRLJO-QGZVFWFLSA-N 1 0 380.627 2.516 20 0 GFADRO Cn1ncc(C(=O)N2CCN(Cc3ccccc3)C(C)(C)C2)c1Br ZINC000383068028 677406781 /nfs/dbraw/zinc/40/67/81/677406781.db2.gz ZYJQNRPCKJPMJL-UHFFFAOYSA-N 1 0 391.313 2.919 20 0 GFADRO C[N@H+](Cc1nnc(-c2ccc(Br)s2)o1)CC1(O)CCOCC1 ZINC000389500132 677408500 /nfs/dbraw/zinc/40/85/00/677408500.db2.gz VWPVMFWIWLUVQE-UHFFFAOYSA-N 1 0 388.287 2.534 20 0 GFADRO O=C1CC[C@@H]([NH2+]Cc2ccc(Br)c(Br)c2)CCN1 ZINC000396735218 677411704 /nfs/dbraw/zinc/41/17/04/677411704.db2.gz UVIFLVHVNTWOSL-SNVBAGLBSA-N 1 0 376.092 2.970 20 0 GFADRO Cn1ncc(Br)c1C[NH2+][C@@H]1C[C@H](NC(=O)OC(C)(C)C)C1(C)C ZINC000397868800 677411913 /nfs/dbraw/zinc/41/19/13/677411913.db2.gz DYBRCYQULAYRDU-OLZOCXBDSA-N 1 0 387.322 2.964 20 0 GFADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NS(=O)(=O)c1cnc(Cl)c(F)c1 ZINC000390007065 677673086 /nfs/dbraw/zinc/67/30/86/677673086.db2.gz XEHDWIRUCDOKQR-WBMJQRKESA-N 1 0 383.876 2.673 20 0 GFADRO COc1ccc(C[N@@H+]2CC[C@H](C(=O)NCC(F)(F)F)C2)c(Br)c1 ZINC000580128246 677673720 /nfs/dbraw/zinc/67/37/20/677673720.db2.gz YJMRDSRXPDVNHN-NSHDSACASA-N 1 0 395.219 2.958 20 0 GFADRO Clc1cccc(Oc2nc(Cl)ncc2N2CCN3CC[NH2+]C[C@H]3C2)c1 ZINC001164400520 718843570 /nfs/dbraw/zinc/84/35/70/718843570.db2.gz YSZPBYASYOCUCC-ZDUSSCGKSA-N 1 0 380.279 2.670 20 0 GFADRO OC[C@]12C[NH2+]C[C@@H]1CN(C(F)(F)Oc1ccccc1-c1cccc(Cl)n1)C2 ZINC001164407461 718854090 /nfs/dbraw/zinc/85/40/90/718854090.db2.gz PICBRYMTRZEFDA-FZKQIMNGSA-N 1 0 395.837 2.845 20 0 GFADRO CN(C)Cc1nc2scc(-c3ccccc3)c2c(N2CCOCC23C[NH2+]C3)n1 ZINC001164402631 718860862 /nfs/dbraw/zinc/86/08/62/718860862.db2.gz JVCLWSLEFTXQFW-UHFFFAOYSA-N 1 0 395.532 2.599 20 0 GFADRO O=C1NCCN(C(F)(F)c2cnc(Cl)c(C3CCCCC3)c2)C12C[NH2+]C2 ZINC001164413089 718879406 /nfs/dbraw/zinc/87/94/06/718879406.db2.gz AUNVADFSXHAZBN-UHFFFAOYSA-N 1 0 384.858 2.606 20 0 GFADRO FC(F)(c1cc(Cl)cnc1Cl)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001164415866 718884974 /nfs/dbraw/zinc/88/49/74/718884974.db2.gz OMPKJCPYUUZLPD-UHFFFAOYSA-N 1 0 389.237 2.624 20 0 GFADRO CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@H]2N1C(F)(F)c1cc(Cl)cnc1Cl ZINC001164613949 719013274 /nfs/dbraw/zinc/01/32/74/719013274.db2.gz AOTMFQJBZUXVID-JFUSQASVSA-N 1 0 380.222 2.663 20 0 GFADRO CN1CCc2nc(Cl)nc(N3CC[C@]4(C[NH2+]C[C@H]4c4ccccc4)C3)c2C1 ZINC001164618832 719049172 /nfs/dbraw/zinc/04/91/72/719049172.db2.gz BYUPTUHHPXVTNE-UWJYYQICSA-N 1 0 383.927 2.701 20 0 GFADRO COC(=O)c1cc2c(N3CCC[C@@H]4C[N@H+](Cc5ccccc5)C[C@H]43)[nH]cnc-2n1 ZINC001164628489 719061447 /nfs/dbraw/zinc/06/14/47/719061447.db2.gz RZCCWQCCLHQQFI-VQIMIIECSA-N 1 0 391.475 2.797 20 0 GFADRO CN(C)c1nc(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)nc2nc[nH]c21 ZINC001164625028 719084836 /nfs/dbraw/zinc/08/48/36/719084836.db2.gz MOWQAZYJIMXRHW-IAGOWNOFSA-N 1 0 377.496 2.520 20 0 GFADRO COC(=O)c1cc(C(F)(F)N2C[C@H](C3([NH3+])CC3)[C@H](CF)C2)cnc1Cl ZINC001164629335 719117751 /nfs/dbraw/zinc/11/77/51/719117751.db2.gz RYJJHIXSVDYQMS-SKDRFNHKSA-N 1 0 377.794 2.580 20 0 GFADRO COC(=O)c1cc(Cl)nc(C(F)(F)N2C[C@@H](CF)[C@H](C3([NH3+])CC3)C2)c1 ZINC001164623973 719119568 /nfs/dbraw/zinc/11/95/68/719119568.db2.gz SSYBLVUOFCBPMH-GHMZBOCLSA-N 1 0 377.794 2.580 20 0 GFADRO COC(=O)[C@@H]1C[NH2+]CCN1C(F)(F)c1cnc(Cl)c(-c2cccs2)c1 ZINC001164631037 719138406 /nfs/dbraw/zinc/13/84/06/719138406.db2.gz MQFOFHTVCXLMQS-LBPRGKRZSA-N 1 0 387.839 2.960 20 0 GFADRO Cc1cc2c(ncnc2N2C[C@@H](C)[N@@H+](C)C[C@@H]2C)n1S(=O)(=O)c1ccccc1 ZINC001164642392 719170431 /nfs/dbraw/zinc/17/04/31/719170431.db2.gz YDAOMYNLIIFLOM-CVEARBPZSA-N 1 0 399.520 2.506 20 0 GFADRO CC(C)C[NH+]1CCN(c2cc(N3CCN(c4ccccc4)CC3)ncn2)CC1 ZINC001164657511 719339112 /nfs/dbraw/zinc/33/91/12/719339112.db2.gz OZERYBGJOIZNKK-UHFFFAOYSA-N 1 0 380.540 2.581 20 0 GFADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1nc(Cl)nc3c1CCCCC3)CC2 ZINC001164686021 719716002 /nfs/dbraw/zinc/71/60/02/719716002.db2.gz WEAQAENOXVICSE-UHFFFAOYSA-N 1 0 391.947 2.580 20 0 GFADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1nc(C3CCC3)nc(Cl)c1C)CC2 ZINC001164689514 719752570 /nfs/dbraw/zinc/75/25/70/719752570.db2.gz FZCNWEZWUROLRK-UHFFFAOYSA-N 1 0 391.947 2.887 20 0 GFADRO COc1cnc(N2CCC3(CCC[N@@H+]3Cc3csc(C)n3)CC2)nc1OC ZINC001164693860 719808417 /nfs/dbraw/zinc/80/84/17/719808417.db2.gz RUJPHTYHSMEJGJ-UHFFFAOYSA-N 1 0 389.525 2.894 20 0 GFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(Cl)nc3c1SCC3)C2 ZINC001164815357 720100796 /nfs/dbraw/zinc/10/07/96/720100796.db2.gz YPCXSKUHDIPGRA-AUUYWEPGSA-N 1 0 394.972 2.963 20 0 GFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc3ccccc3c(OC)n1)C2 ZINC001164815527 720129535 /nfs/dbraw/zinc/12/95/35/720129535.db2.gz WGKHBIYQAZQXMD-VGOFRKELSA-N 1 0 382.508 2.823 20 0 GFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc3nc[nH]c3cc1Cl)C2 ZINC001164809150 720132962 /nfs/dbraw/zinc/13/29/62/720132962.db2.gz HJYADWMLEWNUET-IFXJQAMLSA-N 1 0 375.904 2.796 20 0 GFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ncc(C)cc1C(OC)OC)C2 ZINC001164816256 720151150 /nfs/dbraw/zinc/15/11/50/720151150.db2.gz KLYLDBDVXXPDDU-XMSQKQJNSA-N 1 0 389.540 2.866 20 0 GFADRO Cc1nc2ccsc2c(N2CCCn3c(=O)cc(C[N@@H+](C)C(C)C)nc3C2)n1 ZINC001164814104 720209659 /nfs/dbraw/zinc/20/96/59/720209659.db2.gz SLGNADZECFDSHB-UHFFFAOYSA-N 1 0 398.536 2.807 20 0 GFADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1cnc3ccc(F)cc3n1)CCC2 ZINC001164813396 720221071 /nfs/dbraw/zinc/22/10/71/720221071.db2.gz LBVQRAIMHWPYGL-UHFFFAOYSA-N 1 0 396.470 2.576 20 0 GFADRO O=C1N(CC2CC2)CC[C@]12CCCN(c1cccc(OCC[NH+]3CCCC3)n1)C2 ZINC001164821238 720280046 /nfs/dbraw/zinc/28/00/46/720280046.db2.gz ZMFJBGXYAWPWEG-QHCPKHFHSA-N 1 0 398.551 2.785 20 0 GFADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2ncc3ccccc3n2)CC1 ZINC001164818029 720286155 /nfs/dbraw/zinc/28/61/55/720286155.db2.gz HKTBDFKHQJGUAX-WOJBJXKFSA-N 1 0 379.508 2.541 20 0 GFADRO Cc1cc2c(ncnc2N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)s1 ZINC001164819090 720287168 /nfs/dbraw/zinc/28/71/68/720287168.db2.gz PKRYARAIOIBWKP-QZTJIDSGSA-N 1 0 399.564 2.911 20 0 GFADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2ncnc3ccc(F)cc32)CC1 ZINC001164821946 720298977 /nfs/dbraw/zinc/29/89/77/720298977.db2.gz MAOUZFROVCLOMK-UXHICEINSA-N 1 0 397.498 2.680 20 0 GFADRO COc1cnc(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c(Cl)c1 ZINC001164834243 720327959 /nfs/dbraw/zinc/32/79/59/720327959.db2.gz YXZFBWCWJFCITC-ZWKOTPCHSA-N 1 0 392.931 2.655 20 0 GFADRO CCOC(=O)c1cnc(Cl)nc1N1CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164726046 720332693 /nfs/dbraw/zinc/33/26/93/720332693.db2.gz PJRUOXYDQNVPMO-HZPDHXFCSA-N 1 0 387.871 2.555 20 0 GFADRO Cc1csc2cnc(N3CC[C@@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)nc12 ZINC001164832967 720333876 /nfs/dbraw/zinc/33/38/76/720333876.db2.gz VBVVYFCUWAGVKS-DLBZAZTESA-N 1 0 399.564 2.911 20 0 GFADRO COC(=O)c1c[nH]c2nc(N3CC[C@@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)ccc12 ZINC001164730356 720361801 /nfs/dbraw/zinc/36/18/01/720361801.db2.gz XCUVSQPTLHUXKH-QZTJIDSGSA-N 1 0 377.448 2.598 20 0 GFADRO CCOC(=O)c1cc2ccnc(N3CC[C@@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)c2[nH]1 ZINC001164725390 720371572 /nfs/dbraw/zinc/37/15/72/720371572.db2.gz NEIGSMUMSWSMHR-MOPGFXCFSA-N 1 0 391.475 2.988 20 0 GFADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3nccc(N4CCCC4)n3)CC[C@@H]21 ZINC001164841157 720504392 /nfs/dbraw/zinc/50/43/92/720504392.db2.gz XSPULMHVWUQOIJ-AABGKKOBSA-N 1 0 395.555 2.651 20 0 GFADRO CCN(C)c1ccnc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)n1 ZINC001164833253 720506146 /nfs/dbraw/zinc/50/61/46/720506146.db2.gz CGOIUGJEFGKELR-GUDVDZBRSA-N 1 0 383.544 2.507 20 0 GFADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3nc(Cl)ncc3F)CC[C@@H]21 ZINC001164832891 720508235 /nfs/dbraw/zinc/50/82/35/720508235.db2.gz BTSHSAPMNWTOGU-DZKIICNBSA-N 1 0 378.883 2.843 20 0 GFADRO CCOC(=O)c1ccnc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c1 ZINC001164833873 720511728 /nfs/dbraw/zinc/51/17/28/720511728.db2.gz DSCJPHWODADYIK-XUVXKRRUSA-N 1 0 397.523 2.833 20 0 GFADRO COc1ccc2nc(Cl)cc(N3Cc4nccn4C[C@@H](C[NH+](C)C)C3)c2n1 ZINC001164726192 720516985 /nfs/dbraw/zinc/51/69/85/720516985.db2.gz BIFSUORZIBJWRN-CYBMUJFWSA-N 1 0 386.887 2.686 20 0 GFADRO COC(=O)c1ccnc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c1C ZINC001164832347 720522831 /nfs/dbraw/zinc/52/28/31/720522831.db2.gz ABNXEXLZPAKEHU-QWFCFKBJSA-N 1 0 397.523 2.751 20 0 GFADRO CC(C)c1noc(-c2ccnc(N3Cc4nccn4C[C@H](C[NH+](C)C)C3)c2)n1 ZINC001164734215 720529568 /nfs/dbraw/zinc/52/95/68/720529568.db2.gz OALZLWAEWVVAIG-HNNXBMFYSA-N 1 0 381.484 2.650 20 0 GFADRO Cc1cnc(N2Cc3nccn3C[C@H](C[NH+](C)C)C2)nc1-c1ccccc1F ZINC001164736193 720533019 /nfs/dbraw/zinc/53/30/19/720533019.db2.gz VJPQBTCCNBLPOT-INIZCTEOSA-N 1 0 380.471 2.986 20 0 GFADRO COc1cc(OC)nc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c1 ZINC001164843035 720543305 /nfs/dbraw/zinc/54/33/05/720543305.db2.gz ZOHFEENLPSFCIO-ZIFCJYIRSA-N 1 0 385.512 2.673 20 0 GFADRO CC(=O)Nc1cccc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)n1 ZINC001164835020 720543749 /nfs/dbraw/zinc/54/37/49/720543749.db2.gz GSYZWZYVZDXUGV-GBESFXJTSA-N 1 0 382.512 2.614 20 0 GFADRO CC(C)[N@H+]1[C@@H]2CCN(c3ncc4cccnc4n3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164838532 720551375 /nfs/dbraw/zinc/55/13/75/720551375.db2.gz OJLYGRHLIGSFPU-CEXWTWQISA-N 1 0 377.496 2.599 20 0 GFADRO CC(C)Oc1cncc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)n1 ZINC001164844127 720611749 /nfs/dbraw/zinc/61/17/49/720611749.db2.gz YWHBURDHJWLOCK-IPMKNSEASA-N 1 0 384.528 2.838 20 0 GFADRO COc1cc(OC)nc(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC001164837099 720672660 /nfs/dbraw/zinc/67/26/60/720672660.db2.gz BRTHCWOXYRWXDN-SFHVURJKSA-N 1 0 398.507 2.754 20 0 GFADRO COc1ncc(F)c(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC001164845280 720688088 /nfs/dbraw/zinc/68/80/88/720688088.db2.gz XRBUWFOFLOAKRX-QGZVFWFLSA-N 1 0 386.471 2.884 20 0 GFADRO COc1cnc(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)nc1OC ZINC001164845346 720689140 /nfs/dbraw/zinc/68/91/40/720689140.db2.gz YKQYYUAVGPGGKZ-GOSISDBHSA-N 1 0 398.507 2.754 20 0 GFADRO FC(F)(c1ccnc(Cl)n1)N1CCCn2cnc(C[NH2+]C3CCC3)c2C1 ZINC001164838583 720736025 /nfs/dbraw/zinc/73/60/25/720736025.db2.gz SKXXDIHJCQDFAZ-UHFFFAOYSA-N 1 0 382.846 2.924 20 0 GFADRO c1ncn(C[C@@H]2C[C@H]3CN(c4nccc5ncccc54)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164749913 720815205 /nfs/dbraw/zinc/81/52/05/720815205.db2.gz UUCFNERPOWRGLC-BBTUJRGHSA-N 1 0 389.507 2.601 20 0 GFADRO CC(C)(C)c1ccnc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164741916 720824582 /nfs/dbraw/zinc/82/45/82/720824582.db2.gz PBXGIPGZFPRYAP-IPMKNSEASA-N 1 0 395.555 2.745 20 0 GFADRO c1ncn(C[C@H]2C[C@H]3CN(c4cc5ccccc5nn4)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164744477 720829983 /nfs/dbraw/zinc/82/99/83/720829983.db2.gz UNWKGCOKZSXDFT-QKNQBKEWSA-N 1 0 389.507 2.601 20 0 GFADRO COCC[N@@H+]1CCO[C@H]2CN(c3csc4ncnc(Cl)c34)CC[C@@H]2C1 ZINC001164856457 720848288 /nfs/dbraw/zinc/84/82/88/720848288.db2.gz WRKOYUDTBYRLMP-OCCSQVGLSA-N 1 0 382.917 2.518 20 0 GFADRO COCC[N@@H+]1CCO[C@H]2CN(C(F)(F)c3nc(Cl)ccc3C)CC[C@@H]2C1 ZINC001164854806 720863611 /nfs/dbraw/zinc/86/36/11/720863611.db2.gz KPHHCDKSYWDYJH-CABCVRRESA-N 1 0 389.874 2.762 20 0 GFADRO COCC[N@@H+]1CCO[C@H]2CN(c3nc(Cl)cc(C(C)(C)C)n3)CC[C@@H]2C1 ZINC001164859017 720869871 /nfs/dbraw/zinc/86/98/71/720869871.db2.gz UBMKBPYOUPQMAU-CABCVRRESA-N 1 0 382.936 2.601 20 0 GFADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1nc(Cl)cc3c1CNC3=O)[C@@H]2C ZINC001164859000 720975538 /nfs/dbraw/zinc/97/55/38/720975538.db2.gz KDRMOSDWGVAEKD-GFCCVEGCSA-N 1 0 388.903 2.596 20 0 GFADRO Cc1nc2cc(F)ccc2c(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164865830 721067797 /nfs/dbraw/zinc/06/77/97/721067797.db2.gz AIDIIPJNAWNLTP-MOPGFXCFSA-N 1 0 393.466 2.952 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(C(F)(F)c4ccnc(Cl)c4)C[C@@H]3C2)cn1 ZINC001164767510 721074504 /nfs/dbraw/zinc/07/45/04/721074504.db2.gz MAHBWNOKRPGIFG-GJZGRUSLSA-N 1 0 381.858 2.972 20 0 GFADRO Fc1ccc2ncc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)nc2c1 ZINC001164862874 721079421 /nfs/dbraw/zinc/07/94/21/721079421.db2.gz BLEVICPAIYXVGL-ZWKOTPCHSA-N 1 0 379.439 2.644 20 0 GFADRO CC(C)(C)Oc1ccnc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164865796 721093041 /nfs/dbraw/zinc/09/30/41/721093041.db2.gz POMXDHISWDWTKK-ROUUACIJSA-N 1 0 383.496 2.529 20 0 GFADRO CSc1cnc(Cl)nc1N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164864490 721094784 /nfs/dbraw/zinc/09/47/84/721094784.db2.gz GCJNWDVAYIDBAM-HUUCEWRRSA-N 1 0 391.928 2.727 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(C(F)(F)Oc4cccc(Cl)n4)C[C@H]3C2)cn1 ZINC001164769402 721103735 /nfs/dbraw/zinc/10/37/35/721103735.db2.gz OPEVPUWINDZJAF-HUUCEWRRSA-N 1 0 397.857 2.852 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4nnc(Cl)c5c4CCCC5)C[C@@H]3C2)cn1 ZINC001164762144 721117686 /nfs/dbraw/zinc/11/76/86/721117686.db2.gz CDCCLSLZWIAAGZ-HOTGVXAUSA-N 1 0 386.931 2.701 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4ccc5cc(Cl)cnc5n4)C[C@H]3C2)cn1 ZINC001164773983 721119207 /nfs/dbraw/zinc/11/92/07/721119207.db2.gz ZQUGRPIZABZEEP-DLBZAZTESA-N 1 0 382.899 2.975 20 0 GFADRO Fc1cnc2ccc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)nc2c1 ZINC001164877014 721128793 /nfs/dbraw/zinc/12/87/93/721128793.db2.gz NUXCPVAUKAUULI-QZTJIDSGSA-N 1 0 379.439 2.644 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4cc5ccc(Cl)nc5cn4)C[C@@H]3C2)cn1 ZINC001164772796 721142234 /nfs/dbraw/zinc/14/22/34/721142234.db2.gz WZIKNPUYNYRRFF-IRXDYDNUSA-N 1 0 382.899 2.975 20 0 GFADRO COc1ccc2nc(N3C[C@@H]4C[N@@H+](Cc5cnn(C)c5)CC[C@@H]4C3)nc(C)c2c1 ZINC001164771314 721153221 /nfs/dbraw/zinc/15/32/21/721153221.db2.gz RZSPLYBFUXQGJU-MSOLQXFVSA-N 1 0 392.507 2.639 20 0 GFADRO Cc1ccc(-c2ccc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)nn2)o1 ZINC001164880365 721162350 /nfs/dbraw/zinc/16/23/50/721162350.db2.gz WAHJLNADOCPBIV-RTBURBONSA-N 1 0 391.475 2.920 20 0 GFADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(C(F)(F)Oc4ccnc(Cl)c4)C[C@H]3C2)cn1 ZINC001164760781 721236693 /nfs/dbraw/zinc/23/66/93/721236693.db2.gz GSSOCLNSRAKEHP-HUUCEWRRSA-N 1 0 397.857 2.852 20 0 GFADRO Cc1nc(Cl)nc(N2CC[C@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)c1C ZINC001164894044 721380113 /nfs/dbraw/zinc/38/01/13/721380113.db2.gz WMQGBSNSGGVKIF-XLIONFOSSA-N 1 0 393.963 2.512 20 0 GFADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4ncc(F)cc4Cl)C3)O2)CC1 ZINC001164885769 721403043 /nfs/dbraw/zinc/40/30/43/721403043.db2.gz HHBIXSBMOWDKIE-VQIMIIECSA-N 1 0 382.911 2.640 20 0 GFADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4ncnc5cccc(F)c54)C3)O2)CC1 ZINC001164884697 721417624 /nfs/dbraw/zinc/41/76/24/721417624.db2.gz FJXVCVDXJHXOMB-VGSWGCGISA-N 1 0 399.514 2.534 20 0 GFADRO COc1cnc(N2CC[C@@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)c(Cl)c1 ZINC001164891096 721422896 /nfs/dbraw/zinc/42/28/96/721422896.db2.gz VFWHJNXFNNJSBN-OXJNMPFZSA-N 1 0 394.947 2.509 20 0 GFADRO CCCc1cc(N2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)nc(C)n1 ZINC001164883632 721422981 /nfs/dbraw/zinc/42/29/81/721422981.db2.gz BKRXVLQONWTTNK-IFMALSPDSA-N 1 0 387.572 2.503 20 0 GFADRO COc1nc(N2CC[C@@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)ccc1Cl ZINC001164889525 721427184 /nfs/dbraw/zinc/42/71/84/721427184.db2.gz BGUQAOMAOXHYHM-OXJNMPFZSA-N 1 0 394.947 2.509 20 0 GFADRO CSCc1ccnc(N2CC[C@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)c1 ZINC001164899528 721444749 /nfs/dbraw/zinc/44/47/49/721444749.db2.gz YXSFCEOAHXLTLX-FPOVZHCZSA-N 1 0 390.597 2.710 20 0 GFADRO COC(=O)c1ccnc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)c1C ZINC001164900121 721522788 /nfs/dbraw/zinc/52/27/88/721522788.db2.gz OGLSQMATFJAIEK-FUHWJXTLSA-N 1 0 385.439 2.658 20 0 GFADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)nc3cc[nH]c32)[C@H]2CCCO[C@@H]12 ZINC001164794399 721524475 /nfs/dbraw/zinc/52/44/75/721524475.db2.gz CVFUCVWBYURYRN-LZLYRXPVSA-N 1 0 398.898 2.875 20 0 GFADRO COC(=O)c1cnc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)c(C)c1 ZINC001164899122 721524505 /nfs/dbraw/zinc/52/45/05/721524505.db2.gz KDXUIUJTRLFVQT-PKOBYXMFSA-N 1 0 385.439 2.658 20 0 GFADRO Fc1cccc(O[C@H]2C[C@@H]3CN(c4cc(OCC5CC5)ncn4)CC[N@@H+]3C2)c1 ZINC001164907775 721541110 /nfs/dbraw/zinc/54/11/10/721541110.db2.gz OKUZWPAJXXOXLZ-MJGOQNOKSA-N 1 0 384.455 2.746 20 0 GFADRO CC(C)n1cnc2cnc(N3CC[N@@H+]4C[C@H](Oc5cccc(F)c5)C[C@@H]4C3)nc21 ZINC001164907188 721554319 /nfs/dbraw/zinc/55/43/19/721554319.db2.gz MNOUQHXBOXSUKI-SJLPKXTDSA-N 1 0 396.470 2.888 20 0 GFADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nccc3cnccc32)[C@H]2CCCO[C@@H]12 ZINC001164798108 721564886 /nfs/dbraw/zinc/56/48/86/721564886.db2.gz ABBOECFFIOHRCI-PWRODBHTSA-N 1 0 375.476 2.893 20 0 GFADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)c(F)cc2N)[C@H]2CCCO[C@@H]12 ZINC001164803003 721569976 /nfs/dbraw/zinc/56/99/76/721569976.db2.gz JCCROBSYIQHJLH-GVDBMIGSSA-N 1 0 391.878 2.720 20 0 GFADRO CCc1c(Cl)ncnc1N1C[C@H]([N@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@H]21 ZINC001164804103 721582231 /nfs/dbraw/zinc/58/22/31/721582231.db2.gz IOSQMDJRAZAXIB-FGTMMUONSA-N 1 0 387.915 2.956 20 0 GFADRO Cc1nc(C2CC2)nc(Cl)c1N1CCCC12CC[NH+](CC(=O)N(C)C)CC2 ZINC001165011471 721745736 /nfs/dbraw/zinc/74/57/36/721745736.db2.gz XSCLYZUERHHLBL-UHFFFAOYSA-N 1 0 391.947 2.839 20 0 GFADRO CCc1nc(N2CCCC23CC[NH+](CC(=O)N(C)C)CC3)c(Cl)nc1C ZINC001165013348 721750005 /nfs/dbraw/zinc/75/00/05/721750005.db2.gz ZGFQPXKMFMGEJT-UHFFFAOYSA-N 1 0 379.936 2.524 20 0 GFADRO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2C(F)(F)c1c[nH]c2nc(Cl)ccc12 ZINC001164927384 721863847 /nfs/dbraw/zinc/86/38/47/721863847.db2.gz UQRGCIGKOBSVDG-LSDHHAIUSA-N 1 0 383.874 2.976 20 0 GFADRO CC(C)n1ccc2c1nc(Cl)nc2N1CC[C@H]2[C@@H]1CC[N@@H+]2CCN(C)C ZINC001164921497 721876191 /nfs/dbraw/zinc/87/61/91/721876191.db2.gz DBVMFFWVUVECFZ-HOTGVXAUSA-N 1 0 376.936 2.880 20 0 GFADRO CN(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2c1nc(-c2ccccn2)nc2ccccc21 ZINC001164933557 721878541 /nfs/dbraw/zinc/87/85/41/721878541.db2.gz MUUGVSDRAISBCC-LEWJYISDSA-N 1 0 388.519 2.906 20 0 GFADRO COC(=O)c1c[nH]c2nc(N3CC[NH+](CCOc4ccccc4)CC3)ccc12 ZINC001165043809 721954461 /nfs/dbraw/zinc/95/44/61/721954461.db2.gz CSAVEPQZOBPBAB-UHFFFAOYSA-N 1 0 380.448 2.551 20 0 GFADRO COc1cc2ncc(N3CC[NH+](CCOc4ccccc4)CC3)nc2cc1OC ZINC001165044330 721955667 /nfs/dbraw/zinc/95/56/67/721955667.db2.gz MAAJCBAOJKNYMX-UHFFFAOYSA-N 1 0 394.475 2.848 20 0 GFADRO CC1(C)C(=O)Nc2ncnc(N3CCC4(CC[N@H+](Cc5cccnc5)C4)CC3)c21 ZINC001164955221 722021151 /nfs/dbraw/zinc/02/11/51/722021151.db2.gz AMSTZENLWNQJJQ-UHFFFAOYSA-N 1 0 392.507 2.594 20 0 GFADRO C[N@H+](Cc1ccc(N2CC[C@@]3(C[C@@H]3C(=O)NCc3cccnc3)C2)nc1)C1CC1 ZINC001164959757 722034873 /nfs/dbraw/zinc/03/48/73/722034873.db2.gz RQRUGYAJNLRWBO-NFBKMPQASA-N 1 0 391.519 2.604 20 0 GFADRO O=C(c1ccco1)N1CC[C@@H]2CN(c3cccc(OCC[NH+]4CCCC4)n3)C[C@@H]21 ZINC001164961398 722047882 /nfs/dbraw/zinc/04/78/82/722047882.db2.gz ZLFKCBCEACDFIC-MSOLQXFVSA-N 1 0 396.491 2.500 20 0 GFADRO CC(=O)Nc1cccc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)n1 ZINC001164964968 722055894 /nfs/dbraw/zinc/05/58/94/722055894.db2.gz ZLAGCGNNEFSBRH-UHFFFAOYSA-N 1 0 395.507 2.554 20 0 GFADRO CN(C)c1ccc(-c2ccnc(N3C[C@@H]4C[N@@H+](CC5CC5)C[C@H](C3)O4)n2)cc1 ZINC001164966994 722074603 /nfs/dbraw/zinc/07/46/03/722074603.db2.gz INFLWJDHQHKZNH-BGYRXZFFSA-N 1 0 379.508 2.509 20 0 GFADRO COc1cc(Cl)nc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c1 ZINC001164979751 722112092 /nfs/dbraw/zinc/11/20/92/722112092.db2.gz PRMJVSKRKUUILE-WMZOPIPTSA-N 1 0 388.899 2.866 20 0 GFADRO Fc1cccc2ncnc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)c12 ZINC001164971915 722123515 /nfs/dbraw/zinc/12/35/15/722123515.db2.gz DNFVZZGTFNPKBX-PXNSSMCTSA-N 1 0 393.466 2.891 20 0 GFADRO CC(C)Oc1cccc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164983083 722125279 /nfs/dbraw/zinc/12/52/79/722125279.db2.gz YAVDCBMWJZUHOU-VQTJNVASSA-N 1 0 382.508 2.991 20 0 GFADRO Cc1cc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)nc2[nH]ccc21 ZINC001164980298 722130040 /nfs/dbraw/zinc/13/00/40/722130040.db2.gz MPFLBDNRDHGOLS-QUCCMNQESA-N 1 0 377.492 2.994 20 0 GFADRO O=C1COc2ccc(N3CCC[C@@]4(CC[N@H+]4Cc4cccc(F)c4)C3)nc2N1 ZINC001164995702 722201602 /nfs/dbraw/zinc/20/16/02/722201602.db2.gz POUOUBPDGUIUEV-OAQYLSRUSA-N 1 0 382.439 2.797 20 0 GFADRO CN(C)c1nc(N2CCC[C@@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)nc2nc[nH]c21 ZINC001164995074 722202400 /nfs/dbraw/zinc/20/24/00/722202400.db2.gz LAFALKGFJQMUAI-OAQYLSRUSA-N 1 0 395.486 2.803 20 0 GFADRO C[NH+](C)CCOCCNC(=O)Nc1ccn(-c2ccc(Cl)cc2Cl)n1 ZINC000473769618 532600147 /nfs/dbraw/zinc/60/01/47/532600147.db2.gz NVYDYOFFCCSQFZ-UHFFFAOYSA-N 1 0 386.283 2.879 20 0 GFADRO C[C@H](C(=O)NCC(F)(F)F)[N@@H+]1C[C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)[C@@H]2C1 ZINC000359993566 212129872 /nfs/dbraw/zinc/12/98/72/212129872.db2.gz KUJYQPOZEGTKJO-RQJABVFESA-N 1 0 393.450 2.679 20 0 GFADRO C[NH+](C)C1CCN(C(=O)CC2CCN(C(=O)Cc3ccccc3F)CC2)CC1 ZINC000359998670 212131628 /nfs/dbraw/zinc/13/16/28/212131628.db2.gz MDHLDDKYYPONTH-UHFFFAOYSA-N 1 0 389.515 2.550 20 0 GFADRO CCCOc1c(Cl)cc(C(=O)N2CCCN(CC[NH+](C)C)CC2)cc1OC ZINC000359938819 212126178 /nfs/dbraw/zinc/12/61/78/212126178.db2.gz VSHVMAKEJFKIOT-UHFFFAOYSA-N 1 0 397.947 2.847 20 0 GFADRO Cc1occc1C(=O)N1CCC(NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC000359926481 212124376 /nfs/dbraw/zinc/12/43/76/212124376.db2.gz GQBNHNAEIKWZMQ-LJQANCHMSA-N 1 0 375.513 2.819 20 0 GFADRO Cc1nn(C)c(C)c1[C@@H](NC(=O)N1CCC([NH+]2CCCC2)CC1)C(F)(F)F ZINC000359864951 212120154 /nfs/dbraw/zinc/12/01/54/212120154.db2.gz FAQRKOIQPBPEBG-MRXNPFEDSA-N 1 0 387.450 2.910 20 0 GFADRO CC[N@@H+]1CCC[C@@H](CN(C)[C@H](C)C(=O)N2CCCCCC2)[C@@H]1c1cnn(C)c1 ZINC000328631790 212087230 /nfs/dbraw/zinc/08/72/30/212087230.db2.gz KWXGCGNSFMNWAI-SVFBPWRDSA-N 1 0 389.588 2.916 20 0 GFADRO CC[N@@H+]1CCC[C@@H](CN(C)C(=O)Cc2csc(C)n2)[C@@H]1c1cnn(C)c1 ZINC000328630065 212086973 /nfs/dbraw/zinc/08/69/73/212086973.db2.gz PLVFZOQAOOZTIQ-HNAYVOBHSA-N 1 0 375.542 2.659 20 0 GFADRO CCn1ccnc1CN(C(=O)[C@@H]1COc2ccccc21)[C@@H]1CC12CC[NH2+]CC2 ZINC000328642112 212089507 /nfs/dbraw/zinc/08/95/07/212089507.db2.gz QVTRJOJZGQITIH-IEBWSBKVSA-N 1 0 380.492 2.550 20 0 GFADRO CC[C@@H]1C[C@@H](C(=O)N(C)C[C@@H]2CCC[N@H+](CC)[C@H]2c2cnn(C)c2)CCO1 ZINC000328616398 212085298 /nfs/dbraw/zinc/08/52/98/212085298.db2.gz BPBDHUYLOZFACW-RAUXBKROSA-N 1 0 376.545 2.857 20 0 GFADRO C[NH+]1CCN(c2ccc(NC(=O)Cc3ccc(Br)cc3)cn2)CC1 ZINC000014520573 221311158 /nfs/dbraw/zinc/31/11/58/221311158.db2.gz SIOGYJJIMULHJX-UHFFFAOYSA-N 1 0 389.297 2.777 20 0 GFADRO C[C@@H](CNc1ccc(S(=O)(=O)N2CCCCC2)cn1)[N@@H+]1CCC[C@H](C)C1 ZINC000071954234 222199301 /nfs/dbraw/zinc/19/93/01/222199301.db2.gz DSKYLNHBPUPDIR-IRXDYDNUSA-N 1 0 380.558 2.789 20 0 GFADRO O=C(NCC[NH2+]Cc1cc(Cl)ccc1I)C1CC1 ZINC000405465573 563539859 /nfs/dbraw/zinc/53/98/59/563539859.db2.gz SQYNDCSJRWUQTP-UHFFFAOYSA-N 1 0 378.641 2.560 20 0 GFADRO Brc1cc2c(cc1CN1CC[NH+](C[C@@H]3CCCO3)CC1)OCCO2 ZINC000020950431 551116390 /nfs/dbraw/zinc/11/63/90/551116390.db2.gz WPELMGSXGZLMQL-HNNXBMFYSA-N 1 0 397.313 2.517 20 0 GFADRO Cc1ccc(S(=O)(=O)NCC[NH+]2CCCCCC2)c(Br)c1 ZINC000024682892 551119701 /nfs/dbraw/zinc/11/97/01/551119701.db2.gz AWIYLOOWJGXMJI-UHFFFAOYSA-N 1 0 375.332 2.912 20 0 GFADRO C[NH+](C)C1(CNS(=O)(=O)c2ccc(Br)cc2)CCCCC1 ZINC000040413456 551134178 /nfs/dbraw/zinc/13/41/78/551134178.db2.gz MUOCJKWPMOCJLK-UHFFFAOYSA-N 1 0 375.332 2.992 20 0 GFADRO Cc1ccc(NC(=O)C(=O)NC[C@H](CC(C)C)[NH+](C)C)c(Br)c1 ZINC000041321892 551135401 /nfs/dbraw/zinc/13/54/01/551135401.db2.gz GZQQNSQXYIDQQO-ZDUSSCGKSA-N 1 0 384.318 2.789 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000042056029 551137602 /nfs/dbraw/zinc/13/76/02/551137602.db2.gz IHBWLAJXFSRQDT-HUUCEWRRSA-N 1 0 394.313 2.747 20 0 GFADRO COCC[N@H+](C)CCCNC(=O)c1cc(-c2ccc(Br)cc2)n[nH]1 ZINC000042073304 551137792 /nfs/dbraw/zinc/13/77/92/551137792.db2.gz HRQXYISMCCFWTA-UHFFFAOYSA-N 1 0 395.301 2.537 20 0 GFADRO Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC000042187553 551138521 /nfs/dbraw/zinc/13/85/21/551138521.db2.gz RLEIRHXBTYATPI-HNNXBMFYSA-N 1 0 381.929 2.726 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)NC[C@@H]1CCN(CC(F)(F)F)C1)c1cccs1 ZINC000043143722 551141167 /nfs/dbraw/zinc/14/11/67/551141167.db2.gz MNDXGEAQPOBKCG-QWHCGFSZSA-N 1 0 378.464 2.534 20 0 GFADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N(C)Cc2ccc(Br)cc2)C1 ZINC000043822124 551142733 /nfs/dbraw/zinc/14/27/33/551142733.db2.gz CWJHUFQCHFCLPT-QGZVFWFLSA-N 1 0 398.345 2.947 20 0 GFADRO C[NH+](C)CCNC(=O)c1cccc(NC(=O)c2cccc(Br)c2)c1 ZINC000044265087 551143821 /nfs/dbraw/zinc/14/38/21/551143821.db2.gz UXIDIYYCWPYUHT-UHFFFAOYSA-N 1 0 390.281 2.993 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CNC(=O)c1cnn(-c2ccc(Br)cc2)c1 ZINC000044285829 551143825 /nfs/dbraw/zinc/14/38/25/551143825.db2.gz YUJLHVVLSFPEGF-INIZCTEOSA-N 1 0 377.286 2.849 20 0 GFADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)[C@H]1C[C@@H]1c1cccc(Br)c1 ZINC000049993856 551160222 /nfs/dbraw/zinc/16/02/22/551160222.db2.gz VLKUACYFJOTVAX-VQHPVUNQSA-N 1 0 379.298 2.532 20 0 GFADRO Cc1noc(C2CC[NH+](C[C@H](O)COc3ccc(Br)cc3)CC2)n1 ZINC000053640527 551167094 /nfs/dbraw/zinc/16/70/94/551167094.db2.gz YPQOAURGHJMXRP-HNNXBMFYSA-N 1 0 396.285 2.760 20 0 GFADRO COc1cc(Br)c(CN2CC[C@@H](C[NH+]3CCOCC3)C2)c(OC)c1 ZINC000093664176 551196014 /nfs/dbraw/zinc/19/60/14/551196014.db2.gz UWEKPUZBPURACL-AWEZNQCLSA-N 1 0 399.329 2.620 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)C1CC1 ZINC000097126811 551196247 /nfs/dbraw/zinc/19/62/47/551196247.db2.gz LYKLOLUOYORLEM-CZUORRHYSA-N 1 0 384.307 2.803 20 0 GFADRO CN(CC1CC[NH+](C)CC1)C(=O)C[C@H]1Sc2ccc(Cl)cc2NC1=O ZINC000103452564 551197964 /nfs/dbraw/zinc/19/79/64/551197964.db2.gz REJDVTDFEDTZQL-MRXNPFEDSA-N 1 0 381.929 2.943 20 0 GFADRO CC[N@@H+]1CCCC[C@H]1C(=O)NCc1cc(OC)c(OC)cc1Br ZINC000104387402 551198574 /nfs/dbraw/zinc/19/85/74/551198574.db2.gz OKTUKBROAFWTNO-AWEZNQCLSA-N 1 0 385.302 2.957 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)N[C@@H](C)CN1CC[NH+](C)CC1 ZINC000106583197 551200491 /nfs/dbraw/zinc/20/04/91/551200491.db2.gz ZPVWYDDKVZSWKO-AWEZNQCLSA-N 1 0 383.334 2.823 20 0 GFADRO CC[C@@H](C)[N@H+](C)CCNC(=O)c1cc(=O)c2cc(Br)ccc2[nH]1 ZINC000112634244 551206845 /nfs/dbraw/zinc/20/68/45/551206845.db2.gz CVBBLEKTIIMCLL-LLVKDONJSA-N 1 0 380.286 2.751 20 0 GFADRO Cc1cc(NC(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)ccc1Br ZINC000120370277 551220539 /nfs/dbraw/zinc/22/05/39/551220539.db2.gz RENVTZRBJORTJY-BBRMVZONSA-N 1 0 394.313 2.639 20 0 GFADRO C[C@@H]([NH2+]C[C@@]1(C)CCCS1)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000120410437 551220925 /nfs/dbraw/zinc/22/09/25/551220925.db2.gz ZLKJQNRWKIXKCA-CRAIPNDOSA-N 1 0 384.567 2.644 20 0 GFADRO Cc1cc(COc2ccc(C(=O)N[C@@H]3CCC[NH2+]C3)cc2Br)no1 ZINC000120405974 551221200 /nfs/dbraw/zinc/22/12/00/551221200.db2.gz LRUBSITUTIKLGS-CYBMUJFWSA-N 1 0 394.269 2.806 20 0 GFADRO CC[NH+](CC)C[C@@H]1CCN(C(=O)C(=O)Nc2cccc(C)c2Br)C1 ZINC000121083775 551226966 /nfs/dbraw/zinc/22/69/66/551226966.db2.gz ZBKRGBVBNYWVKU-AWEZNQCLSA-N 1 0 396.329 2.886 20 0 GFADRO C[C@H](NC(=O)N(C)CC[NH+](C)C)c1nc(-c2ccc(Br)cc2)no1 ZINC000121179871 551229164 /nfs/dbraw/zinc/22/91/64/551229164.db2.gz KNKMBBXSBSRWQG-NSHDSACASA-N 1 0 396.289 2.763 20 0 GFADRO C[C@@H]1OCC[C@H]1[NH2+]CC(C)(C)S(=O)(=O)c1ccc(Br)cc1 ZINC000121247670 551230917 /nfs/dbraw/zinc/23/09/17/551230917.db2.gz YXVLVTIDJODECV-SMDDNHRTSA-N 1 0 376.316 2.768 20 0 GFADRO C[NH+](C)CCC1CCN([C@H](C(N)=O)c2ccc(Br)cc2F)CC1 ZINC000121634520 551238763 /nfs/dbraw/zinc/23/87/63/551238763.db2.gz RWDKGIXBCIIFDX-INIZCTEOSA-N 1 0 386.309 2.778 20 0 GFADRO COC(=O)CC1([NH2+]Cc2cc(Br)c(OC)s2)CCOCC1 ZINC000121686000 551239865 /nfs/dbraw/zinc/23/98/65/551239865.db2.gz JIPZFDYIXQFYDH-UHFFFAOYSA-N 1 0 378.288 2.721 20 0 GFADRO COc1ccc(S(=O)(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1Cl ZINC000121700801 551240217 /nfs/dbraw/zinc/24/02/17/551240217.db2.gz WCLJLRIDKYXWFZ-CXAGYDPISA-N 1 0 384.929 2.986 20 0 GFADRO C[NH+]1CCC(CCNC(=O)CCn2c(=S)[nH]nc2-c2cccs2)CC1 ZINC000121717476 551240725 /nfs/dbraw/zinc/24/07/25/551240725.db2.gz SXSLCJVLWCJORW-UHFFFAOYSA-N 1 0 379.555 2.907 20 0 GFADRO [NH3+][C@@H]1CCCN(S(=O)(=O)c2cc(Br)cc(C(F)(F)F)c2)C1 ZINC000122366581 551297267 /nfs/dbraw/zinc/29/72/67/551297267.db2.gz MMPCERAFUFULID-SNVBAGLBSA-N 1 0 387.221 2.580 20 0 GFADRO CC[NH+](CC)CCN(Cc1cccs1)C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000122725778 551301304 /nfs/dbraw/zinc/30/13/04/551301304.db2.gz LHHDCEPJZQEXTF-QGZVFWFLSA-N 1 0 387.615 2.564 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CCCCN1S(=O)(=O)c1cc(Br)ccc1Cl ZINC000123066022 551302723 /nfs/dbraw/zinc/30/27/23/551302723.db2.gz DOAIAZIWRLFNTB-SKDRFNHKSA-N 1 0 381.723 2.993 20 0 GFADRO C[NH+](C)CCOc1cc(CNC(=O)c2csc(Br)c2)ccn1 ZINC000124412224 551314072 /nfs/dbraw/zinc/31/40/72/551314072.db2.gz FKMUSDOGMRQWSK-UHFFFAOYSA-N 1 0 384.299 2.776 20 0 GFADRO C[C@@H](NS(=O)(=O)Cc1ccc(OC(F)(F)F)cc1)C(C)(C)C[NH+](C)C ZINC000126090359 551326011 /nfs/dbraw/zinc/32/60/11/551326011.db2.gz BQKACELHKLPNRB-GFCCVEGCSA-N 1 0 382.448 2.981 20 0 GFADRO O=C(NC[C@H]1C[C@H](O)C[N@H+]1Cc1ccccc1)c1csc(Br)c1 ZINC000126912914 551334444 /nfs/dbraw/zinc/33/44/44/551334444.db2.gz MAUQERPSDZADBI-CABCVRRESA-N 1 0 395.322 2.876 20 0 GFADRO COCCC[NH+]1CCC(NC(=O)[C@@H]2COc3ccc(Br)cc32)CC1 ZINC000126927290 551334635 /nfs/dbraw/zinc/33/46/35/551334635.db2.gz HHTDGPNUOSAKPU-MRXNPFEDSA-N 1 0 397.313 2.542 20 0 GFADRO COc1ccc([C@@H](C)[NH2+]C[C@@H](O)COC2CCOCC2)cc1Br ZINC000127252842 551338758 /nfs/dbraw/zinc/33/87/58/551338758.db2.gz GSHXYJAEVZJBEL-TZMCWYRMSA-N 1 0 388.302 2.665 20 0 GFADRO Cc1ccc(Br)c(S(=O)(=O)NCC[N@@H+](C)C2CCCC2)c1 ZINC000127266482 551339407 /nfs/dbraw/zinc/33/94/07/551339407.db2.gz AUWBOOMIMGJOCV-UHFFFAOYSA-N 1 0 375.332 2.910 20 0 GFADRO Cc1nc(SCC(=O)NC[C@@H](c2cccs2)[NH+]2CCC(C)CC2)n[nH]1 ZINC000128000400 551345397 /nfs/dbraw/zinc/34/53/97/551345397.db2.gz YGYQTIKNCGQEHB-AWEZNQCLSA-N 1 0 379.555 2.856 20 0 GFADRO CC(C)C[C@H](NC(=O)CSc1ccccc1Cl)C(=O)NCC[NH+](C)C ZINC000127994883 551345617 /nfs/dbraw/zinc/34/56/17/551345617.db2.gz HPVZQBRYTIQJFG-HNNXBMFYSA-N 1 0 385.961 2.641 20 0 GFADRO C[C@@H]([NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1)c1ccc(Br)cc1F ZINC000128190398 551347162 /nfs/dbraw/zinc/34/71/62/551347162.db2.gz VVNSNNKHGHTYRE-MNOVXSKESA-N 1 0 379.295 2.520 20 0 GFADRO C[C@@H](C(=O)Nc1cc(Cl)ccc1Cl)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000129346755 551356604 /nfs/dbraw/zinc/35/66/04/551356604.db2.gz PTADPGXHKOCEHB-UONOGXRCSA-N 1 0 386.323 2.975 20 0 GFADRO C[NH+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CCN(c3ccccc3Br)C2)C1 ZINC000129973434 551360728 /nfs/dbraw/zinc/36/07/28/551360728.db2.gz APUUTRSNJNLEGT-LSDHHAIUSA-N 1 0 395.345 2.621 20 0 GFADRO Cc1cc(NC(=O)[C@H](C)[NH2+][C@@H]2CCCC[C@@H]2C(N)=O)ccc1Br ZINC000131107583 551372498 /nfs/dbraw/zinc/37/24/98/551372498.db2.gz KANQIXJLLARBQS-CORIIIEPSA-N 1 0 382.302 2.718 20 0 GFADRO CCS(=O)(=O)c1ccc(C[NH2+][C@@H](C)Cn2cc(Br)cn2)cc1 ZINC000133170059 551382331 /nfs/dbraw/zinc/38/23/31/551382331.db2.gz XDBOMTUXDOWEIT-LBPRGKRZSA-N 1 0 386.315 2.618 20 0 GFADRO CCC[N@@H+]1CCCN(C(=O)c2ccc(Br)cc2-n2cncn2)CC1 ZINC000134397863 551385082 /nfs/dbraw/zinc/38/50/82/551385082.db2.gz VDQOAKCQTXMKLL-UHFFFAOYSA-N 1 0 392.301 2.588 20 0 GFADRO COCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](Cc2ccc(F)cc2Br)C1 ZINC000144198811 551395824 /nfs/dbraw/zinc/39/58/24/551395824.db2.gz JZXKQILBNABGPT-GXTWGEPZSA-N 1 0 387.293 2.951 20 0 GFADRO COCCNC(=O)[C@H]1CC[C@H](C)[N@H+](Cc2ccc(F)c(Br)c2)C1 ZINC000144482893 551396079 /nfs/dbraw/zinc/39/60/79/551396079.db2.gz CYJLKZCLPJODJT-JSGCOSHPSA-N 1 0 387.293 2.951 20 0 GFADRO CCN(CC)S(=O)(=O)c1cc(NC(=O)[C@@H]([NH3+])C(C)(C)C)ccc1Cl ZINC000150702259 551400201 /nfs/dbraw/zinc/40/02/01/551400201.db2.gz DHHFCEDDMWVSOY-CQSZACIVSA-N 1 0 375.922 2.682 20 0 GFADRO CCO[C@@H](CC[NH+](C)C)CNS(=O)(=O)c1ccc(C)c(C(F)(F)F)c1 ZINC000150872735 551402889 /nfs/dbraw/zinc/40/28/89/551402889.db2.gz VPSSXBZZPUOQSX-ZDUSSCGKSA-N 1 0 382.448 2.649 20 0 GFADRO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CCSCCCO ZINC000151237027 551409367 /nfs/dbraw/zinc/40/93/67/551409367.db2.gz XEBCNIIXEIVTOD-GFCCVEGCSA-N 1 0 375.332 2.871 20 0 GFADRO C[C@H]([NH2+]CCCN1CCC(O)CC1)c1ccc(I)cc1 ZINC000151376815 551412573 /nfs/dbraw/zinc/41/25/73/551412573.db2.gz MNCPPKFGZSGENN-ZDUSSCGKSA-N 1 0 388.293 2.789 20 0 GFADRO CC[NH2+]CCNC(=O)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000151411860 551413047 /nfs/dbraw/zinc/41/30/47/551413047.db2.gz KNMNAMAZYOBNNQ-UHFFFAOYSA-N 1 0 378.826 2.696 20 0 GFADRO Cc1ccc(NC(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)c(Br)n1 ZINC000151548806 551415999 /nfs/dbraw/zinc/41/59/99/551415999.db2.gz RMMMFDAYLXHJHD-ZDUSSCGKSA-N 1 0 397.317 2.775 20 0 GFADRO CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](O)COc1cccc(Cl)c1Cl ZINC000151582026 551417248 /nfs/dbraw/zinc/41/72/48/551417248.db2.gz PQHRDMQYRWKEHE-GXTWGEPZSA-N 1 0 375.296 2.724 20 0 GFADRO CCO[C@H](CC[NH+](C)C)CNS(=O)(=O)Cc1cc(Cl)cc(Cl)c1 ZINC000151732569 551420316 /nfs/dbraw/zinc/42/03/16/551420316.db2.gz HBNMQCRTQVQWLX-OAHLLOKOSA-N 1 0 383.341 2.770 20 0 GFADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)Nc2cc(Cl)cc(Cl)c2)CC1 ZINC000151733031 551420611 /nfs/dbraw/zinc/42/06/11/551420611.db2.gz JYOSXSUPUWCENZ-OAHLLOKOSA-N 1 0 385.295 2.764 20 0 GFADRO Cc1ccc(I)cc1C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000151784009 551420723 /nfs/dbraw/zinc/42/07/23/551420723.db2.gz LJPHYGKWFDLQFX-CQSZACIVSA-N 1 0 384.261 2.910 20 0 GFADRO [NH3+][C@H]1CCN(C(=O)c2nn(-c3ccc(Br)cc3)c3c2CCCC3)C1 ZINC000152272512 551429577 /nfs/dbraw/zinc/42/95/77/551429577.db2.gz HCKGLKVXQJZDTR-ZDUSSCGKSA-N 1 0 389.297 2.687 20 0 GFADRO C[NH2+]CC1CCN(C(=O)[C@H]2CC(=O)N(c3cc(Cl)cc(Cl)c3)C2)CC1 ZINC000152320641 551430850 /nfs/dbraw/zinc/43/08/50/551430850.db2.gz CKVUDFUMIBESIV-ZDUSSCGKSA-N 1 0 384.307 2.804 20 0 GFADRO C[C@H](C[NH+]1CCCCC1)NC(=O)c1ccc(Br)cc1-n1cncn1 ZINC000152820612 551440518 /nfs/dbraw/zinc/44/05/18/551440518.db2.gz IROLRQNBAVLTJJ-CYBMUJFWSA-N 1 0 392.301 2.634 20 0 GFADRO CC1CC[NH+](CCSc2nnc(-c3cncc(Br)c3)n2N)CC1 ZINC000153274381 551449363 /nfs/dbraw/zinc/44/93/63/551449363.db2.gz QBDREUJWXQWDFH-UHFFFAOYSA-N 1 0 397.346 2.640 20 0 GFADRO CC[N@H+](C)C[C@H]1CCN(C(=O)Cc2ccccc2I)C1 ZINC000153339773 551450651 /nfs/dbraw/zinc/45/06/51/551450651.db2.gz HRWCWIBPXBDNBX-CYBMUJFWSA-N 1 0 386.277 2.634 20 0 GFADRO Cc1c(I)cccc1C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000153393045 551451752 /nfs/dbraw/zinc/45/17/52/551451752.db2.gz MMSNWIWTPROTGM-ZDUSSCGKSA-N 1 0 384.261 2.910 20 0 GFADRO C[C@H](Sc1ccnc2cc(Cl)ccc21)C(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000153492071 551453743 /nfs/dbraw/zinc/45/37/43/551453743.db2.gz FVLMHQCSDYBPJW-KPZWWZAWSA-N 1 0 381.929 2.798 20 0 GFADRO O=C(Nc1ccc(Br)c(Cl)c1)C(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000153822400 551461096 /nfs/dbraw/zinc/46/10/96/551461096.db2.gz PPXGUOVOVQDMKZ-LBPRGKRZSA-N 1 0 398.688 2.514 20 0 GFADRO O=C(Nc1ccc(Br)cc1)C1CCN(C(=O)[C@@H]2CCCC[NH2+]2)CC1 ZINC000154385474 551473888 /nfs/dbraw/zinc/47/38/88/551473888.db2.gz ATTIHJBJCPTICQ-INIZCTEOSA-N 1 0 394.313 2.768 20 0 GFADRO C[C@@H](CNS(=O)(=O)c1ccc(Br)cc1F)C[NH+]1CCCC1 ZINC000154526141 551476863 /nfs/dbraw/zinc/47/68/63/551476863.db2.gz ANBXQESSXSILPP-NSHDSACASA-N 1 0 379.295 2.598 20 0 GFADRO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[NH+]1CCC(OCCCO)CC1 ZINC000154935428 551486317 /nfs/dbraw/zinc/48/63/17/551486317.db2.gz XURAYDWLWNVDIR-UHFFFAOYSA-N 1 0 389.323 2.815 20 0 GFADRO Cn1cc(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)cc(Br)c1=O ZINC000155136952 551492505 /nfs/dbraw/zinc/49/25/05/551492505.db2.gz DHDXCVFLPVKLJA-INIZCTEOSA-N 1 0 390.281 2.751 20 0 GFADRO C[C@H]([NH2+]CCc1cccs1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000155618173 551503854 /nfs/dbraw/zinc/50/38/54/551503854.db2.gz WLQGGOKXPIYAKR-HNNXBMFYSA-N 1 0 380.535 2.662 20 0 GFADRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)CNC(=O)c2ccc(Cl)cc2Cl)C1 ZINC000155676326 551505174 /nfs/dbraw/zinc/50/51/74/551505174.db2.gz DVSLJQZICKWQGE-CYBMUJFWSA-N 1 0 386.323 2.817 20 0 GFADRO CCS(=O)(=O)c1ccc(Cl)c(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c1 ZINC000155728375 551506487 /nfs/dbraw/zinc/50/64/87/551506487.db2.gz DAXDYJMXXOEUKJ-CXAGYDPISA-N 1 0 384.929 2.690 20 0 GFADRO C[C@H]1CCC[N@@H+]1C1CCN(C(=O)Nc2cc(Br)c(=O)n(C)c2)CC1 ZINC000156321688 551520145 /nfs/dbraw/zinc/52/01/45/551520145.db2.gz SATDKBULDGOHFM-LBPRGKRZSA-N 1 0 397.317 2.628 20 0 GFADRO CC(=O)N1CC[C@H](C[N@H+](C)CCC(=O)Nc2ccc(Br)cc2)C1 ZINC000156315207 551520151 /nfs/dbraw/zinc/52/01/51/551520151.db2.gz OECJMZUPUPGGEZ-CQSZACIVSA-N 1 0 382.302 2.578 20 0 GFADRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)S(=O)(=O)c1cc(F)ccc1Br ZINC000156345193 551520530 /nfs/dbraw/zinc/52/05/30/551520530.db2.gz HJOTTXXQJKLAPK-GWCFXTLKSA-N 1 0 379.295 2.549 20 0 GFADRO CC(=O)N1CC[C@@H](C[N@@H+](C)[C@H](C)C(=O)Nc2ccccc2Br)C1 ZINC000156376628 551521967 /nfs/dbraw/zinc/52/19/67/551521967.db2.gz IZMCELHOILYVTQ-OCCSQVGLSA-N 1 0 382.302 2.576 20 0 GFADRO CC(C)N(CC[NH+](C)C)C(=O)Cc1cc2c(cc1Br)OCCO2 ZINC000156789902 551527782 /nfs/dbraw/zinc/52/77/82/551527782.db2.gz DRLYZPDHXIYRCF-UHFFFAOYSA-N 1 0 385.302 2.561 20 0 GFADRO O=C(Nc1ccc(Br)cc1)C1CCN(C(=O)C2CC[NH2+]CC2)CC1 ZINC000157052289 551532769 /nfs/dbraw/zinc/53/27/69/551532769.db2.gz CHQISGAYRWMYGL-UHFFFAOYSA-N 1 0 394.313 2.626 20 0 GFADRO CCCN(CC[NH+](C)C)C(=O)c1c(F)cccc1I ZINC000157281253 551535898 /nfs/dbraw/zinc/53/58/98/551535898.db2.gz YYUHZTVGDPAKAK-UHFFFAOYSA-N 1 0 378.229 2.844 20 0 GFADRO C[C@@H](Cc1ccc(Br)cc1)C(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000157420414 551538159 /nfs/dbraw/zinc/53/81/59/551538159.db2.gz BAQBRSRFIZWVDA-HNNXBMFYSA-N 1 0 396.373 2.770 20 0 GFADRO CC(C)C[C@@](C)(C[NH3+])NC(=O)[C@@H](C)NC(=O)c1ccc(Br)s1 ZINC000157510291 551538747 /nfs/dbraw/zinc/53/87/47/551538747.db2.gz NBUUWVFLODSFCN-BMIGLBTASA-N 1 0 390.347 2.509 20 0 GFADRO O=C(NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1cc(Cl)ncc1Cl ZINC000157573411 551539772 /nfs/dbraw/zinc/53/97/72/551539772.db2.gz FJAPVVQFXGKASH-CQSZACIVSA-N 1 0 380.275 2.885 20 0 GFADRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)Nc2cc(F)c(F)cc2I)C1 ZINC000415222896 563763202 /nfs/dbraw/zinc/76/32/02/563763202.db2.gz HCYCFBPOQBSBNB-HTQZYQBOSA-N 1 0 395.191 2.818 20 0 GFADRO C[N@H+](CCCO)C1CCN(C(=O)Nc2ccc(F)cc2Br)CC1 ZINC000157944173 551545207 /nfs/dbraw/zinc/54/52/07/551545207.db2.gz ZJOBGMLMIKFVLF-UHFFFAOYSA-N 1 0 388.281 2.899 20 0 GFADRO [NH3+]C[C@H]1CCC[C@@H]1NC(=O)[C@@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1 ZINC000157976744 551545791 /nfs/dbraw/zinc/54/57/91/551545791.db2.gz MHHMBTUAVAMEOR-KCXAZCMYSA-N 1 0 384.307 2.842 20 0 GFADRO C[C@@H](Cc1ccc(Br)cc1)C(=O)NC[C@H](O)C[NH+]1CCC(C)CC1 ZINC000158231762 551548556 /nfs/dbraw/zinc/54/85/56/551548556.db2.gz VQJINTJGCPAYAU-YJBOKZPZSA-N 1 0 397.357 2.837 20 0 GFADRO CC[N@@H+]1CCCN(CC(=O)Nc2c(Cl)cc(Cl)cc2C(=O)OC)CC1 ZINC000158263930 551549683 /nfs/dbraw/zinc/54/96/83/551549683.db2.gz MNXLEKZYIVTDEG-UHFFFAOYSA-N 1 0 388.295 2.746 20 0 GFADRO CN(CC[NH2+]Cc1c[nH]nc1-c1cccs1)S(=O)(=O)c1cccs1 ZINC000158351500 551550612 /nfs/dbraw/zinc/55/06/12/551550612.db2.gz NXJCVIIASYBWBM-UHFFFAOYSA-N 1 0 382.536 2.610 20 0 GFADRO C[NH+](C)C1CN(C(=O)Cc2csc(-c3cc(Br)cs3)n2)C1 ZINC000158442083 551551704 /nfs/dbraw/zinc/55/17/04/551551704.db2.gz AWTWBVSFADSOTI-UHFFFAOYSA-N 1 0 386.340 2.949 20 0 GFADRO Cc1nn(-c2ccc(C(=O)N3CC([NH+](C)C)C3)cc2)c(C)c1Br ZINC000158476009 551552390 /nfs/dbraw/zinc/55/23/90/551552390.db2.gz XAJSSVXZDKFVRP-UHFFFAOYSA-N 1 0 377.286 2.638 20 0 GFADRO O=C([C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000158692596 551555094 /nfs/dbraw/zinc/55/50/94/551555094.db2.gz HYHFVOMJWLDZTN-ACJLOTCBSA-N 1 0 382.291 2.558 20 0 GFADRO C[NH+](C)C[C@H]1CCCCN1C(=O)c1cc(=O)[nH]c2ccc(Br)cc21 ZINC000158844736 551557782 /nfs/dbraw/zinc/55/77/82/551557782.db2.gz LQGDECSOZFBHEY-CYBMUJFWSA-N 1 0 392.297 2.847 20 0 GFADRO CC(C)CN(CC[NH+](C)C)C(=O)c1cc(=O)[nH]c2ccc(Br)cc21 ZINC000159040691 551560226 /nfs/dbraw/zinc/56/02/26/551560226.db2.gz RFEWLSADIMQACL-UHFFFAOYSA-N 1 0 394.313 2.950 20 0 GFADRO O=C(N[C@@H](c1cccc(F)c1)c1cccc(Br)c1)[C@@H]1C[NH2+]CCO1 ZINC000161790746 551598213 /nfs/dbraw/zinc/59/82/13/551598213.db2.gz HGOJWSMTJKKBLP-DLBZAZTESA-N 1 0 393.256 2.782 20 0 GFADRO COCC[NH+]1CCC(NC(=O)CSc2cccc(Br)c2)CC1 ZINC000161769520 551598429 /nfs/dbraw/zinc/59/84/29/551598429.db2.gz UAYGUYCQUOEUGK-UHFFFAOYSA-N 1 0 387.343 2.768 20 0 GFADRO CC(C)[C@@H](CCO)[NH2+][C@@H](C)C(=O)Nc1cccc(I)c1 ZINC000161792387 551598750 /nfs/dbraw/zinc/59/87/50/551598750.db2.gz WJMPWGYPLPMIJN-SMDDNHRTSA-N 1 0 390.265 2.615 20 0 GFADRO O=C(Nc1ccc(CCn2cc(Br)cn2)cc1)[C@H]1CCC[NH2+]C1 ZINC000161801538 551598950 /nfs/dbraw/zinc/59/89/50/551598950.db2.gz MBXLUDXXPMGRCG-AWEZNQCLSA-N 1 0 377.286 2.826 20 0 GFADRO Cc1cc(C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)nn1-c1ccc(Br)cc1 ZINC000162087032 551603318 /nfs/dbraw/zinc/60/33/18/551603318.db2.gz HSWWOQWOUCPMRW-ZIAGYGMSSA-N 1 0 377.286 2.943 20 0 GFADRO [NH3+][C@@H]1CCC[C@H](NC(=O)c2ccc(I)c(Cl)c2)C1 ZINC000162275868 551605976 /nfs/dbraw/zinc/60/59/76/551605976.db2.gz LQPLBTJZWSUNSC-ZJUUUORDSA-N 1 0 378.641 2.944 20 0 GFADRO CC(C)c1sc(NC(=O)[C@H]([NH3+])CCS(C)(=O)=O)nc1-c1ccccc1 ZINC000162644741 551610993 /nfs/dbraw/zinc/61/09/93/551610993.db2.gz VPZJFVCYCPLQFM-CYBMUJFWSA-N 1 0 381.523 2.634 20 0 GFADRO O=C(CC[NH+]1CCN(Cc2ccc(Br)cc2)CC1)N1CCCCC1 ZINC000163815461 551622570 /nfs/dbraw/zinc/62/25/70/551622570.db2.gz VVTREMMSYASOLP-UHFFFAOYSA-N 1 0 394.357 2.969 20 0 GFADRO CC(C)(O)C[NH+]1CCN(C(=O)CCCc2ccccc2Br)CC1 ZINC000164518285 551626575 /nfs/dbraw/zinc/62/65/75/551626575.db2.gz VLLGBDWXMLHONB-UHFFFAOYSA-N 1 0 383.330 2.687 20 0 GFADRO C[C@@H]1C[N@@H+](C2CCN(C(=O)Nc3ccc(Br)nc3)CC2)CCO1 ZINC000166443800 551632017 /nfs/dbraw/zinc/63/20/17/551632017.db2.gz ZKYODAJKIFKNOQ-GFCCVEGCSA-N 1 0 383.290 2.561 20 0 GFADRO COc1ccc(Br)cc1[C@@H]1CCC[N@@H+]1CCCC(=O)NC(N)=O ZINC000170646960 551636884 /nfs/dbraw/zinc/63/68/84/551636884.db2.gz SYFVSDIVQGYOMU-ZDUSSCGKSA-N 1 0 384.274 2.570 20 0 GFADRO C[C@H]1C[C@H](C)C[NH+](CCCNS(=O)(=O)c2ccccc2OC(F)F)C1 ZINC000170663491 551637535 /nfs/dbraw/zinc/63/75/35/551637535.db2.gz MOYLIHZVDSPSPH-KBPBESRZSA-N 1 0 376.469 2.934 20 0 GFADRO C[NH+]1CCN(Cc2cccc(NC(=O)c3ccc(Br)cn3)c2)CC1 ZINC000170766082 551639168 /nfs/dbraw/zinc/63/91/68/551639168.db2.gz FLDRIDODXOADBE-UHFFFAOYSA-N 1 0 389.297 2.844 20 0 GFADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc2c(cc(Br)cc2F)[nH]1 ZINC000170808388 551640109 /nfs/dbraw/zinc/64/01/09/551640109.db2.gz WMTBSMGPDRFTJJ-GFCCVEGCSA-N 1 0 398.276 2.910 20 0 GFADRO COCC[N@H+](C)CCNC(=O)COc1ccc2ccccc2c1Br ZINC000171128428 551647889 /nfs/dbraw/zinc/64/78/89/551647889.db2.gz IZTSHYHPVHDFQP-UHFFFAOYSA-N 1 0 395.297 2.676 20 0 GFADRO C[NH+](C)CCNC(=O)C1CCN(Cc2csc(-c3ccsc3)n2)CC1 ZINC000171656205 551660329 /nfs/dbraw/zinc/66/03/29/551660329.db2.gz UYXOYQNUMMZZFT-UHFFFAOYSA-N 1 0 378.567 2.761 20 0 GFADRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)c1n[nH]c2ccc(Br)cc21 ZINC000171807823 551663786 /nfs/dbraw/zinc/66/37/86/551663786.db2.gz ACKLBLGYTYAXGS-CYBMUJFWSA-N 1 0 395.301 2.508 20 0 GFADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCc2c(Br)cccc2C1 ZINC000171908544 551666037 /nfs/dbraw/zinc/66/60/37/551666037.db2.gz ORFXKWWVSHNJBB-OAHLLOKOSA-N 1 0 396.329 2.628 20 0 GFADRO O=C(NCCC[NH+]1CCCC1)c1cc(=O)c2cc(Br)ccc2[nH]1 ZINC000172000744 551668678 /nfs/dbraw/zinc/66/86/78/551668678.db2.gz BDEOFILJHCGVBW-UHFFFAOYSA-N 1 0 378.270 2.506 20 0 GFADRO O=C(NCCC[NH+]1CCCCC1)C(=O)Nc1cc(Br)ccc1F ZINC000172508979 551680487 /nfs/dbraw/zinc/68/04/87/551680487.db2.gz CVMRWHGRMYWKRT-UHFFFAOYSA-N 1 0 386.265 2.519 20 0 GFADRO O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)c1c[nH]c(=O)c(Br)c1 ZINC000172982160 551691588 /nfs/dbraw/zinc/69/15/88/551691588.db2.gz JBVGPNHPBPUYHR-MRXNPFEDSA-N 1 0 390.281 2.704 20 0 GFADRO COc1cc(I)ccc1NC(=O)N1CC[NH2+]C(C)(C)C1 ZINC000415775319 563796307 /nfs/dbraw/zinc/79/63/07/563796307.db2.gz SYAVFFRMHMKSNQ-UHFFFAOYSA-N 1 0 389.237 2.516 20 0 GFADRO CC[NH+]1CCC(CCNC(=O)C(=O)Nc2ccc(Br)c(C)c2)CC1 ZINC000173195101 552079271 /nfs/dbraw/zinc/07/92/71/552079271.db2.gz XCYBRMKSZMOWJD-UHFFFAOYSA-N 1 0 396.329 2.934 20 0 GFADRO CC[NH+](CC)C[C@H]1CCN(S(=O)(=O)c2ccc(F)c(Br)c2)C1 ZINC000173204886 552079707 /nfs/dbraw/zinc/07/97/07/552079707.db2.gz VPFANHRWQYMMQE-GFCCVEGCSA-N 1 0 393.322 2.941 20 0 GFADRO C[C@@H]([NH2+]C[C@@H](c1cccs1)N(C)C)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000173296025 552082132 /nfs/dbraw/zinc/08/21/32/552082132.db2.gz ONPVRSPTPNCFKI-PBHICJAKSA-N 1 0 381.567 2.952 20 0 GFADRO O=C(COc1cc(Cl)cc(Cl)c1)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000173356600 552083779 /nfs/dbraw/zinc/08/37/79/552083779.db2.gz HCQCSPMOLYHKJD-AWEZNQCLSA-N 1 0 387.307 2.943 20 0 GFADRO C[C@@H](C(=O)NCCC[NH+]1CCC(O)CC1)c1ccc(Br)s1 ZINC000173584648 552088796 /nfs/dbraw/zinc/08/87/96/552088796.db2.gz OHXVFIBGQULOHV-LLVKDONJSA-N 1 0 375.332 2.577 20 0 GFADRO Cc1cc(N2CC[C@H]([NH2+][C@@H](C)c3ccc(Br)cc3)C2=O)n(C)n1 ZINC000173804936 552092111 /nfs/dbraw/zinc/09/21/11/552092111.db2.gz KLGYPEDNHWAVLZ-WFASDCNBSA-N 1 0 377.286 2.947 20 0 GFADRO CC(C)(O)CN1CCN(C(=O)Nc2c(F)cc(Br)cc2F)CC1 ZINC000174084434 552098407 /nfs/dbraw/zinc/09/84/07/552098407.db2.gz AGXIPAHYCKEJQW-UHFFFAOYSA-N 1 0 392.244 2.648 20 0 GFADRO O=C(NCCNc1ncc(Cl)cc1Cl)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000174166264 552101301 /nfs/dbraw/zinc/10/13/01/552101301.db2.gz BETYEYFRSWZYRJ-ZDUSSCGKSA-N 1 0 386.327 2.928 20 0 GFADRO CC[C@H]1CN(C(=O)c2cc3ccc(Br)cc3[nH]2)CC[N@@H+]1C[C@@H](C)O ZINC000174607348 552106717 /nfs/dbraw/zinc/10/67/17/552106717.db2.gz NGNHBUNZCLEKPX-DOMZBBRYSA-N 1 0 394.313 2.848 20 0 GFADRO Cc1nc(SCCC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)n[nH]1 ZINC000174675574 552108054 /nfs/dbraw/zinc/10/80/54/552108054.db2.gz UMIPBEVXXOFIHH-UHFFFAOYSA-N 1 0 377.539 2.783 20 0 GFADRO C[NH+]1CCC(NC(=O)c2ccc(I)c(Cl)c2)CC1 ZINC000175071307 552115489 /nfs/dbraw/zinc/11/54/89/552115489.db2.gz XHECPKKIRXXHPB-UHFFFAOYSA-N 1 0 378.641 2.769 20 0 GFADRO COc1ccc(Br)c(S(=O)(=O)NCC[N@@H+]2CCCC[C@@H]2C)c1 ZINC000175222615 552118473 /nfs/dbraw/zinc/11/84/73/552118473.db2.gz KPHSSOSPKIXXQU-LBPRGKRZSA-N 1 0 391.331 2.610 20 0 GFADRO C[C@H](NC(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccc(Br)cc1 ZINC000175565336 552125161 /nfs/dbraw/zinc/12/51/61/552125161.db2.gz ABRAPJXJNDEZTH-GJZGRUSLSA-N 1 0 396.329 2.874 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)NCC(=O)Nc2ccc(Br)cc2)C1 ZINC000175906960 552132018 /nfs/dbraw/zinc/13/20/18/552132018.db2.gz JGMSRZJZOFTBHE-LSDHHAIUSA-N 1 0 397.317 2.560 20 0 GFADRO O=C1CNC(=O)N1CCC[N@H+]1CCC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000175931782 552132674 /nfs/dbraw/zinc/13/26/74/552132674.db2.gz BWHPBQWVBUFSJL-ZDUSSCGKSA-N 1 0 386.279 2.779 20 0 GFADRO O=C(Nc1ccc(F)c(Br)c1)N1CC[NH+](C2CCOCC2)CC1 ZINC000175998365 552133627 /nfs/dbraw/zinc/13/36/27/552133627.db2.gz FZZMIUBXPXJQNO-UHFFFAOYSA-N 1 0 386.265 2.917 20 0 GFADRO CCOC[C@@H]1CC[N@H+](CC(=O)Nc2cccc(I)c2)C1 ZINC000176318026 552138328 /nfs/dbraw/zinc/13/83/28/552138328.db2.gz HFWOIZQPIRFDMB-GFCCVEGCSA-N 1 0 388.249 2.588 20 0 GFADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)CCc2ccc(Br)cc2)CC1 ZINC000176380986 552139966 /nfs/dbraw/zinc/13/99/66/552139966.db2.gz BVTGLIGANIWMPK-INIZCTEOSA-N 1 0 396.373 2.772 20 0 GFADRO CN(CC[NH+](C)C)C(=O)c1cnn(-c2ncccc2Cl)c1C(F)(F)F ZINC000176390102 552140053 /nfs/dbraw/zinc/14/00/53/552140053.db2.gz IPTROGAXYWOGLV-UHFFFAOYSA-N 1 0 375.782 2.573 20 0 GFADRO C[C@@H]1C[NH+](Cc2ccc(CNC(=O)[C@@H]3CSCCS3)cc2)C[C@@H](C)O1 ZINC000176978539 552148426 /nfs/dbraw/zinc/14/84/26/552148426.db2.gz VIXVXGDHPSWRHV-RKVPGOIHSA-N 1 0 380.579 2.761 20 0 GFADRO CC(C)[NH+]1CCC(NC(=O)N[C@H](CO)c2cccc(Br)c2)CC1 ZINC000177869603 552160680 /nfs/dbraw/zinc/16/06/80/552160680.db2.gz DOPBZPINHSJZIG-MRXNPFEDSA-N 1 0 384.318 2.655 20 0 GFADRO C[C@H](CNC(=O)N[C@H](CO)c1cccc(Br)c1)C[NH+]1CCCC1 ZINC000177970052 552161600 /nfs/dbraw/zinc/16/16/00/552161600.db2.gz TXGJYKWUHCICOA-CZUORRHYSA-N 1 0 384.318 2.514 20 0 GFADRO C[NH+]1CCC(CCNC(=O)N[C@H](CO)c2cccc(Br)c2)CC1 ZINC000178079643 552163897 /nfs/dbraw/zinc/16/38/97/552163897.db2.gz MLJURAPHBOSFIR-MRXNPFEDSA-N 1 0 384.318 2.514 20 0 GFADRO C[C@H]1C[N@@H+](C2CCN(C(=O)Cc3cc(F)ccc3Br)CC2)CCO1 ZINC000178340605 552169099 /nfs/dbraw/zinc/16/90/99/552169099.db2.gz NWAWZFUXUWKMJF-ZDUSSCGKSA-N 1 0 399.304 2.842 20 0 GFADRO O[C@@H](C[NH2+]Cc1cccc2c1OCCO2)COc1ccccc1Br ZINC000178455042 552170767 /nfs/dbraw/zinc/17/07/67/552170767.db2.gz PBQRFINKSUVDSK-AWEZNQCLSA-N 1 0 394.265 2.750 20 0 GFADRO CCC[NH+]1CCC(N(C)S(=O)(=O)c2cc(Cl)ccc2C(=O)OC)CC1 ZINC000178522457 552171988 /nfs/dbraw/zinc/17/19/88/552171988.db2.gz JLWZQRBWTWWALV-UHFFFAOYSA-N 1 0 388.917 2.622 20 0 GFADRO C[C@H]([NH3+])CCNC(=O)c1cc(Br)ccc1I ZINC000178612845 552173015 /nfs/dbraw/zinc/17/30/15/552173015.db2.gz JLNOUISEIDZCCU-ZETCQYMHSA-N 1 0 397.054 2.521 20 0 GFADRO O=C(CSc1cccs1)Nc1ccc(C(=O)NC[C@H]2CCC[NH2+]2)cc1 ZINC000178732848 552174149 /nfs/dbraw/zinc/17/41/49/552174149.db2.gz JIKRZNUPDAGANO-OAHLLOKOSA-N 1 0 375.519 2.961 20 0 GFADRO [NH3+]Cc1ccc(C(=O)NC[C@@H]2CCN(c3ccc(Br)cc3)C2)o1 ZINC000178724012 552174474 /nfs/dbraw/zinc/17/44/74/552174474.db2.gz OIJIYENWGKBPRY-LBPRGKRZSA-N 1 0 378.270 2.757 20 0 GFADRO CC(=O)NC[C@H]1CCC[N@H+](Cc2cnn(-c3ccc(Br)cc3)c2)C1 ZINC000178875564 552178083 /nfs/dbraw/zinc/17/80/83/552178083.db2.gz VDYOWHGXFJLMDB-OAHLLOKOSA-N 1 0 391.313 2.983 20 0 GFADRO CN(C(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1)[C@@H]1CC[NH2+]C1 ZINC000179109785 552184563 /nfs/dbraw/zinc/18/45/63/552184563.db2.gz GJGAIIMXXVARCD-UONOGXRCSA-N 1 0 384.307 2.666 20 0 GFADRO Cc1cc(C[NH+]2CCC(C(=O)N3CCOCC3)CC2)ccc1Br ZINC000179689109 552200490 /nfs/dbraw/zinc/20/04/90/552200490.db2.gz GBTYOXSXZPSDHV-UHFFFAOYSA-N 1 0 381.314 2.828 20 0 GFADRO COc1cc(NC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cc(OC)c1Br ZINC000179905167 552206339 /nfs/dbraw/zinc/20/63/39/552206339.db2.gz WJMDAHQHKCPLGI-GFCCVEGCSA-N 1 0 384.274 2.778 20 0 GFADRO CCc1nn(C)cc1C[NH2+]CCCNC(=O)c1cccc(Br)c1 ZINC000180115801 552214018 /nfs/dbraw/zinc/21/40/18/552214018.db2.gz BYFLBBFHEGEQSO-UHFFFAOYSA-N 1 0 379.302 2.655 20 0 GFADRO Cc1cc(Br)ccc1CC(=O)NC[C@H](C(C)C)N1CCOCC1 ZINC000180154836 552215726 /nfs/dbraw/zinc/21/57/26/552215726.db2.gz IWUOOBCLZMUVFS-QGZVFWFLSA-N 1 0 383.330 2.773 20 0 GFADRO C[C@H](C[NH2+][C@@H](C)c1cc2c(cc1Br)OCCO2)CS(C)(=O)=O ZINC000180478332 552227507 /nfs/dbraw/zinc/22/75/07/552227507.db2.gz XZCCAIAJDAJGRR-MNOVXSKESA-N 1 0 392.315 2.552 20 0 GFADRO C[N@H+](Cc1cc(Cl)ccc1Br)C1CCN(S(C)(=O)=O)CC1 ZINC000180627508 552231560 /nfs/dbraw/zinc/23/15/60/552231560.db2.gz WDZXPSIYTBMZLV-UHFFFAOYSA-N 1 0 395.750 2.958 20 0 GFADRO C[C@@H]1CN(Cc2ccc(-c3cccc(Br)c3)o2)C[C@@H](C(N)=O)O1 ZINC000180638955 552231776 /nfs/dbraw/zinc/23/17/76/552231776.db2.gz VLJGSDRNNGLGGT-BZNIZROVSA-N 1 0 379.254 2.784 20 0 GFADRO COCC[NH+]1CCC(N[C@H](C(=O)OC)c2cccc(Cl)c2Cl)CC1 ZINC000180630028 552231902 /nfs/dbraw/zinc/23/19/02/552231902.db2.gz DJOUGJGGEAYTFI-INIZCTEOSA-N 1 0 375.296 2.908 20 0 GFADRO CCc1ccc([C@@H](C)[NH2+]Cc2ccccc2S(=O)(=O)N(C)CCO)s1 ZINC000180886581 552239010 /nfs/dbraw/zinc/23/90/10/552239010.db2.gz FENVOVVQJQEHFR-CQSZACIVSA-N 1 0 382.551 2.774 20 0 GFADRO COc1cc(C[NH2+]CC2(OC)CCC2)cc(I)c1OC ZINC000181078184 552245995 /nfs/dbraw/zinc/24/59/95/552245995.db2.gz DCIAVLLQQZJTMW-UHFFFAOYSA-N 1 0 391.249 2.967 20 0 GFADRO [NH3+]CCOc1ccc(NC(=O)[C@H]2COc3ccc(Br)cc32)cc1 ZINC000181423859 552256091 /nfs/dbraw/zinc/25/60/91/552256091.db2.gz QDUIPGWLXHQUEL-HNNXBMFYSA-N 1 0 377.238 2.901 20 0 GFADRO C[C@@H](NC(=O)c1c[nH]c(=O)c(Br)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181456209 552257023 /nfs/dbraw/zinc/25/70/23/552257023.db2.gz RLIPMONFWAUORP-NEPJUHHUSA-N 1 0 382.302 2.520 20 0 GFADRO CCc1cc(=O)[nH]c(C[NH2+]C(C)(C)COc2ncccc2Br)n1 ZINC000181517008 552259603 /nfs/dbraw/zinc/25/96/03/552259603.db2.gz NBYCQSFJIMZMNO-UHFFFAOYSA-N 1 0 381.274 2.849 20 0 GFADRO C[N@@H+]1CCCN(C(=O)Nc2cc(F)c(F)cc2I)CC1 ZINC000181615380 552262426 /nfs/dbraw/zinc/26/24/26/552262426.db2.gz FZWXLKAOVBFDHZ-UHFFFAOYSA-N 1 0 395.191 2.739 20 0 GFADRO COC(=O)Cn1cc(CC[NH2+][C@H](C)c2cc(F)c(Cl)cc2Cl)nn1 ZINC000181647243 552264144 /nfs/dbraw/zinc/26/41/44/552264144.db2.gz ZPTRRIKBMWASCQ-SECBINFHSA-N 1 0 375.231 2.790 20 0 GFADRO CC(C)C(=O)NCCC[NH2+][C@H](C)CC(=O)Nc1ccc(Br)cc1 ZINC000181753598 552266869 /nfs/dbraw/zinc/26/68/69/552266869.db2.gz BYQAFOGIPKAFMF-CYBMUJFWSA-N 1 0 384.318 2.918 20 0 GFADRO Cc1cc(Cl)c(C(=O)N(CCC[NH+](C)C)[C@@H]2CCS(=O)(=O)C2)cc1C ZINC000182129449 552276208 /nfs/dbraw/zinc/27/62/08/552276208.db2.gz FUTQITOPAFJGNL-OAHLLOKOSA-N 1 0 386.945 2.538 20 0 GFADRO CCOC(=O)COc1c(Br)cc(C)cc1C[NH2+]C[C@](C)(O)CC ZINC000182254070 552279591 /nfs/dbraw/zinc/27/95/91/552279591.db2.gz DPNMQORPJURZST-QGZVFWFLSA-N 1 0 388.302 2.950 20 0 GFADRO C[C@@H](CS(C)(=O)=O)[NH2+]C[C@@H](c1ccccc1)N1CCc2sccc2C1 ZINC000182451548 552284299 /nfs/dbraw/zinc/28/42/99/552284299.db2.gz WYWLWZGHGXTCFG-YJBOKZPZSA-N 1 0 378.563 2.870 20 0 GFADRO COC(=O)CC[N@@H+]1CCN(CCCc2ccccc2Br)[C@H](C)C1 ZINC000182460420 552284747 /nfs/dbraw/zinc/28/47/47/552284747.db2.gz UBSJFPCFCGHZCC-OAHLLOKOSA-N 1 0 383.330 2.951 20 0 GFADRO COC(=O)c1ccc(C[NH2+]C[C@H](O)COc2ccccc2Br)cc1 ZINC000182649967 552289364 /nfs/dbraw/zinc/28/93/64/552289364.db2.gz OFEQUAIWJBWMIW-HNNXBMFYSA-N 1 0 394.265 2.765 20 0 GFADRO CS(=O)(=O)[C@@H]1CCCC[C@H]1[NH2+]CCOc1cccc(Br)c1 ZINC000182653731 552290206 /nfs/dbraw/zinc/29/02/06/552290206.db2.gz QJBYFWXIRQASPD-HUUCEWRRSA-N 1 0 376.316 2.773 20 0 GFADRO C[C@@H](CS(C)(=O)=O)[NH2+]CC1(c2ccc(Br)cc2)CCOCC1 ZINC000182752821 552292243 /nfs/dbraw/zinc/29/22/43/552292243.db2.gz NRJYPERBRAMLKL-ZDUSSCGKSA-N 1 0 390.343 2.520 20 0 GFADRO CSc1nnc(CCC[NH2+][C@H]2CCCC[C@@H]2S(C)(=O)=O)n1CC(C)C ZINC000182964964 552297558 /nfs/dbraw/zinc/29/75/58/552297558.db2.gz LFBCQFIIGJZNHJ-GJZGRUSLSA-N 1 0 388.603 2.534 20 0 GFADRO C[C@H](CS(=O)(=O)c1ccccc1)[NH2+]C[C@@H](C)N1CCc2sccc2C1 ZINC000183259310 552304188 /nfs/dbraw/zinc/30/41/88/552304188.db2.gz IZRLXISFWROOIO-HZPDHXFCSA-N 1 0 378.563 2.947 20 0 GFADRO COc1cc(C[N@H+](C)C[C@@H](C)c2nccs2)cc(Cl)c1OCC(N)=O ZINC000183260473 552304497 /nfs/dbraw/zinc/30/44/97/552304497.db2.gz MAIUZDMXFIZYFH-LLVKDONJSA-N 1 0 383.901 2.905 20 0 GFADRO CC1(CNC(=O)COc2ccc(Br)cc2Cl)CC[NH2+]CC1 ZINC000183385827 552307959 /nfs/dbraw/zinc/30/79/59/552307959.db2.gz UYBJCYIPMATWKO-UHFFFAOYSA-N 1 0 375.694 2.987 20 0 GFADRO COC[C@H]([NH2+]C[C@@H](O)COc1ccc(Cl)cc1Br)C1CC1 ZINC000183423697 552308820 /nfs/dbraw/zinc/30/88/20/552308820.db2.gz BIKHYYQUHAXLMQ-OCCSQVGLSA-N 1 0 378.694 2.857 20 0 GFADRO C[NH+](C)[C@H]1CCCN(C(=O)c2ncc(Br)cc2Br)C1 ZINC000183513482 552311676 /nfs/dbraw/zinc/31/16/76/552311676.db2.gz DOHFJTLBGNNOLJ-JTQLQIEISA-N 1 0 391.107 2.773 20 0 GFADRO C[NH+](C)C1CCN(C(=O)c2ncc(Br)cc2Br)CC1 ZINC000183571662 552313518 /nfs/dbraw/zinc/31/35/18/552313518.db2.gz GDNHUBZRJRUYKD-UHFFFAOYSA-N 1 0 391.107 2.773 20 0 GFADRO CN(C)c1cc[nH+]cc1C(=O)N[C@H]1CCN(c2ccccc2Br)C1 ZINC000183601781 552314476 /nfs/dbraw/zinc/31/44/76/552314476.db2.gz SWQWPHXGHVGTJK-ZDUSSCGKSA-N 1 0 389.297 2.919 20 0 GFADRO OC[C@@H]([NH2+]C[C@H](O)COCc1ccccc1F)c1cccc(Br)c1 ZINC000183899933 552321955 /nfs/dbraw/zinc/32/19/55/552321955.db2.gz ZSVNYZFSDPHRRG-FUHWJXTLSA-N 1 0 398.272 2.789 20 0 GFADRO O[C@H](COc1cc(Cl)ccc1Cl)C[N@@H+]1CCOCC2(CCOCC2)C1 ZINC000184079586 552327240 /nfs/dbraw/zinc/32/72/40/552327240.db2.gz YSTKSSQMYCKRDX-HNNXBMFYSA-N 1 0 390.307 2.862 20 0 GFADRO Cc1cc(C(=O)NC(C)(C)CC[NH+]2CCN(C)CC2)ccc1Br ZINC000184220783 552329884 /nfs/dbraw/zinc/32/98/84/552329884.db2.gz CPRZGFXKIYZZAY-UHFFFAOYSA-N 1 0 382.346 2.903 20 0 GFADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)c1cc(Cl)ccc1OC(F)F ZINC000184317804 552332629 /nfs/dbraw/zinc/33/26/29/552332629.db2.gz LSKCMMDFCFAHJB-LBPRGKRZSA-N 1 0 375.847 2.697 20 0 GFADRO CCN(C(=O)C[NH2+][C@H](C)c1cc2ccccc2s1)[C@H]1CCS(=O)(=O)C1 ZINC000184378125 552333847 /nfs/dbraw/zinc/33/38/47/552333847.db2.gz LGMVDWRVWMRXMS-HIFRSBDPSA-N 1 0 380.535 2.588 20 0 GFADRO C[C@H](C(F)(F)F)S(=O)(=O)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000184390308 552334459 /nfs/dbraw/zinc/33/44/59/552334459.db2.gz ZMUXWCHOUCUJCR-OAHLLOKOSA-N 1 0 378.460 2.908 20 0 GFADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)Nc1cc(F)ccc1Br ZINC000184497836 552336872 /nfs/dbraw/zinc/33/68/72/552336872.db2.gz YPWODANKIUOSOP-GFCCVEGCSA-N 1 0 387.297 2.736 20 0 GFADRO NC(=O)[C@@H]1CCCC[C@H]1[NH2+]Cc1nnc(-c2ccccc2Br)o1 ZINC000184835608 552345455 /nfs/dbraw/zinc/34/54/55/552345455.db2.gz PWYZPUXVUKBSPC-DGCLKSJQSA-N 1 0 379.258 2.633 20 0 GFADRO CCc1nn(C)cc1C[NH2+][C@H]1CCN(c2ccc(Br)c(C)c2)C1=O ZINC000184920486 552348490 /nfs/dbraw/zinc/34/84/90/552348490.db2.gz JKMVKEDBJMDJPY-KRWDZBQOSA-N 1 0 391.313 2.949 20 0 GFADRO Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+]C[C@H]2CCN(CC(F)(F)F)C2)cc1 ZINC000185059319 552352519 /nfs/dbraw/zinc/35/25/19/552352519.db2.gz ONZSNTXGSJAHQY-LSDHHAIUSA-N 1 0 378.460 2.631 20 0 GFADRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)CCNc3ncc(C(F)(F)F)cc3Cl)C[C@@H]12 ZINC000185076359 552352910 /nfs/dbraw/zinc/35/29/10/552352910.db2.gz OPUACOAODNTBSZ-UFGOTCBOSA-N 1 0 376.810 2.752 20 0 GFADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)N2Cc3cccc(Br)c3C2)C1 ZINC000185078593 552353272 /nfs/dbraw/zinc/35/32/72/552353272.db2.gz LKVVRUBQTVNSPZ-HNNXBMFYSA-N 1 0 396.329 2.831 20 0 GFADRO CN(CC[N@H+](C)C1CC1)S(=O)(=O)c1ccc(Br)cc1Cl ZINC000185234397 552358129 /nfs/dbraw/zinc/35/81/29/552358129.db2.gz YDYNOKPVJZSPHH-UHFFFAOYSA-N 1 0 381.723 2.817 20 0 GFADRO CN1CC[NH+](CCC(C)(C)NC(=O)NCc2ccc(Br)cc2)CC1 ZINC000185362530 552361654 /nfs/dbraw/zinc/36/16/54/552361654.db2.gz GTVXHVMVVRBEBG-UHFFFAOYSA-N 1 0 397.361 2.664 20 0 GFADRO COCC[NH+]1CCC(NC(=O)N2Cc3cccc(Br)c3C2)CC1 ZINC000185819599 552371333 /nfs/dbraw/zinc/37/13/33/552371333.db2.gz ARRZDSSKJTZVCP-UHFFFAOYSA-N 1 0 382.302 2.585 20 0 GFADRO CC[N@H+](C)CCNC(=O)C(=O)Nc1ccc(Br)c(Cl)c1Cl ZINC000185825532 552371601 /nfs/dbraw/zinc/37/16/01/552371601.db2.gz HTIPGXXOOYSGGJ-UHFFFAOYSA-N 1 0 397.100 2.762 20 0 GFADRO CS[C@@H](CO)[C@H](C)[NH2+]Cc1cc(Br)cc(Br)c1N ZINC000185838083 552371957 /nfs/dbraw/zinc/37/19/57/552371957.db2.gz ZZUKVUUOWLUABU-CPCISQLKSA-N 1 0 398.164 2.996 20 0 GFADRO COc1cc(Br)cc(S(=O)(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000185842533 552371979 /nfs/dbraw/zinc/37/19/79/552371979.db2.gz FFHQSENIYSQVAK-YPMHNXCESA-N 1 0 391.331 2.561 20 0 GFADRO C[C@@H](C[S@@](C)=O)[NH2+]Cc1cc(Br)cc(Br)c1N ZINC000185897509 552373228 /nfs/dbraw/zinc/37/32/28/552373228.db2.gz ZTRXFGMILXONRX-BWKAKNAASA-N 1 0 384.137 2.650 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(Br)c(C)nc2OC)[C@H](C)C1 ZINC000186571079 552391270 /nfs/dbraw/zinc/39/12/70/552391270.db2.gz UPJVISHXJNUWHW-IAQYHMDHSA-N 1 0 384.318 2.963 20 0 GFADRO CCc1c(C(=O)N[C@@H]2C[NH2+]CC[C@H]2C)cnn1-c1ccc(Br)cc1 ZINC000186673184 552394961 /nfs/dbraw/zinc/39/49/61/552394961.db2.gz LQZIUIIKTTYLSW-MLGOLLRUSA-N 1 0 391.313 2.925 20 0 GFADRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)c1cc2cc(Br)ccc2[nH]1 ZINC000186906080 552401094 /nfs/dbraw/zinc/40/10/94/552401094.db2.gz ZZUJWYQBGDDJIO-GFCCVEGCSA-N 1 0 394.313 2.848 20 0 GFADRO CC(=O)Nc1ccc(S(=O)(=O)Nc2cc[nH+]c(C)c2)cc1Br ZINC000186983172 552402909 /nfs/dbraw/zinc/40/29/09/552402909.db2.gz YHEZOCOTMMMDTD-UHFFFAOYSA-N 1 0 384.255 2.912 20 0 GFADRO CN(CC1([NH+](C)C)CCC1)C(=O)c1cc(=O)[nH]c2c(Br)cccc12 ZINC000187001623 552403691 /nfs/dbraw/zinc/40/36/91/552403691.db2.gz PVEODNKYAKTGDV-UHFFFAOYSA-N 1 0 392.297 2.847 20 0 GFADRO C[C@H](NC(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1)c1ccccc1Br ZINC000187152732 552407868 /nfs/dbraw/zinc/40/78/68/552407868.db2.gz ISSHMIAZKNGFMM-KGLIPLIRSA-N 1 0 398.345 2.997 20 0 GFADRO C[C@@H]([NH2+][C@H]1CCCN(c2ccccc2Cl)C1=O)C1CCS(=O)(=O)CC1 ZINC000187247053 552410321 /nfs/dbraw/zinc/41/03/21/552410321.db2.gz CNIDBSYFKUYAPI-CJNGLKHVSA-N 1 0 384.929 2.638 20 0 GFADRO COc1cc([C@H](C)[NH2+][C@@H]2C[C@H]3OCCC[C@H]23)ccc1S(=O)(=O)C(F)F ZINC000187285380 552411630 /nfs/dbraw/zinc/41/16/30/552411630.db2.gz FOYGFCIWOPGIME-IGHBBLSQSA-N 1 0 375.437 2.910 20 0 GFADRO COCCC(=O)N1CCC([NH2+]Cc2cccc(Br)c2OC)CC1 ZINC000187307333 552412040 /nfs/dbraw/zinc/41/20/40/552412040.db2.gz FIKATRSPQAMHOG-UHFFFAOYSA-N 1 0 385.302 2.575 20 0 GFADRO C[C@H]([NH2+]CCOc1ccc(Br)cc1)C1CCS(=O)(=O)CC1 ZINC000187320119 552412312 /nfs/dbraw/zinc/41/23/12/552412312.db2.gz REBFHPLFGSAZQV-LBPRGKRZSA-N 1 0 376.316 2.631 20 0 GFADRO CCO[C@H]1C[C@@]([NH3+])(C(=O)NCCc2cc(Br)ccc2F)C1(C)C ZINC000187486990 552417135 /nfs/dbraw/zinc/41/71/35/552417135.db2.gz PWSFDFADWHXJRT-WMLDXEAASA-N 1 0 387.293 2.779 20 0 GFADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)NCc1cc(Br)ccc1C ZINC000187552282 552418640 /nfs/dbraw/zinc/41/86/40/552418640.db2.gz BUXGFSJDXLMCHI-MRXNPFEDSA-N 1 0 384.318 2.668 20 0 GFADRO C[C@](O)(CC[NH2+][C@@H](C(N)=O)c1cccc(Br)c1)c1ccccc1 ZINC000187669545 552421499 /nfs/dbraw/zinc/42/14/99/552421499.db2.gz ODCUKKVQPPGJRD-AEFFLSMTSA-N 1 0 377.282 2.863 20 0 GFADRO COc1cccc([C@@H](CNC(=O)C(=O)Nc2ccsc2Cl)[NH+](C)C)c1 ZINC000187775549 552423839 /nfs/dbraw/zinc/42/38/39/552423839.db2.gz PTYQRTJOWIGHAO-CQSZACIVSA-N 1 0 381.885 2.768 20 0 GFADRO C[C@H]1C[C@H](N(C)C(=O)c2cc(I)ccc2O)CC[N@@H+]1C ZINC000188042277 552432202 /nfs/dbraw/zinc/43/22/02/552432202.db2.gz KTUZVQUXJZGKMM-CMPLNLGQSA-N 1 0 388.249 2.552 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)NCC[NH+]2CCC(C)CC2)cc1Br ZINC000188058379 552432756 /nfs/dbraw/zinc/43/27/56/552432756.db2.gz WHWCNXCDEPXEAN-UHFFFAOYSA-N 1 0 396.329 2.853 20 0 GFADRO Cc1cc(Br)cc(NC(=O)C(=O)NC2CC[NH+](CC(C)C)CC2)c1 ZINC000188055174 552433104 /nfs/dbraw/zinc/43/31/04/552433104.db2.gz ZYVJDGAVGUJEBK-UHFFFAOYSA-N 1 0 396.329 2.933 20 0 GFADRO CCS(=O)(=O)N1CCC([NH2+][C@@H](C)Cc2ccc(Br)cc2)CC1 ZINC000188115528 552435586 /nfs/dbraw/zinc/43/55/86/552435586.db2.gz AGIQUMPEYJTCPS-ZDUSSCGKSA-N 1 0 389.359 2.784 20 0 GFADRO Cc1cc(C2CC[NH+](CCCS(N)(=O)=O)CC2)ccc1Br ZINC000188196562 552438450 /nfs/dbraw/zinc/43/84/50/552438450.db2.gz OPZZTTYNVVVMNK-UHFFFAOYSA-N 1 0 375.332 2.616 20 0 GFADRO C[C@H]([NH2+]CC(=O)N1CCOCC1)c1ccc(Br)cc1C(F)(F)F ZINC000188337232 552442935 /nfs/dbraw/zinc/44/29/35/552442935.db2.gz RODWTBDWNZSKML-JTQLQIEISA-N 1 0 395.219 2.977 20 0 GFADRO COc1cc(Br)ccc1CNC(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC000188439889 552445043 /nfs/dbraw/zinc/44/50/43/552445043.db2.gz HPKXOLSEKQMABH-INIZCTEOSA-N 1 0 397.313 2.717 20 0 GFADRO C[C@@H]1CN(C(=O)CCc2ccccc2Br)CC[N@@H+]1CC(C)(C)O ZINC000188665644 552451291 /nfs/dbraw/zinc/45/12/91/552451291.db2.gz KAJMXAFPGMOCMY-CQSZACIVSA-N 1 0 383.330 2.685 20 0 GFADRO C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2c2cccc(Br)c2)CC[N@@H+]1CC(C)(C)O ZINC000188673481 552451644 /nfs/dbraw/zinc/45/16/44/552451644.db2.gz HTBHNODFOJSTSV-KBRIMQKVSA-N 1 0 395.341 2.856 20 0 GFADRO CC[C@H](C)NC(=O)[C@@H](C)[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000188712793 552453273 /nfs/dbraw/zinc/45/32/73/552453273.db2.gz YCMIQTQNIFCELX-UONOGXRCSA-N 1 0 398.345 2.679 20 0 GFADRO Cn1cc(CCC[NH2+]Cc2ccc(Br)cc2N2CCOCC2)cn1 ZINC000188720348 552453440 /nfs/dbraw/zinc/45/34/40/552453440.db2.gz UDAYHYQNGGARDF-UHFFFAOYSA-N 1 0 393.329 2.742 20 0 GFADRO CCS(=O)(=O)c1ccc(Cl)c(C(=O)NCc2ccc3c(c2)C[NH2+]C3)c1 ZINC000188742581 552453919 /nfs/dbraw/zinc/45/39/19/552453919.db2.gz MADXASOXHXGKTB-UHFFFAOYSA-N 1 0 378.881 2.667 20 0 GFADRO O=C(CSc1nnc(-c2ccc(Cl)cc2)o1)N1CC[NH+]2CCC1CC2 ZINC000188856406 552457037 /nfs/dbraw/zinc/45/70/37/552457037.db2.gz IBWFOLUBHTVMTK-UHFFFAOYSA-N 1 0 378.885 2.789 20 0 GFADRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2ncc(Br)s2)[C@H](C)C1 ZINC000189027417 552461298 /nfs/dbraw/zinc/46/12/98/552461298.db2.gz XAFDRWKNCURMMO-VXGBXAGGSA-N 1 0 390.347 2.772 20 0 GFADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)Nc1cc(Br)c(F)cc1F ZINC000189147163 552464711 /nfs/dbraw/zinc/46/47/11/552464711.db2.gz VKLBMQIWMTVEOX-JTQLQIEISA-N 1 0 392.244 2.960 20 0 GFADRO COc1ccc(Br)cc1S(=O)(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000189211488 552465612 /nfs/dbraw/zinc/46/56/12/552465612.db2.gz ACLNOHZRNIJCMJ-UHFFFAOYSA-N 1 0 397.294 2.539 20 0 GFADRO CC[N@@H+]1CC[C@@H](CNC(=O)c2nc(Br)ccc2Br)C1 ZINC000189212692 552465910 /nfs/dbraw/zinc/46/59/10/552465910.db2.gz IUICAYDBHHNFSY-VIFPVBQESA-N 1 0 391.107 2.678 20 0 GFADRO CCCN1CCCN(C[C@H](O)COc2cc(Cl)ccc2Cl)CC1=O ZINC000189407920 552470956 /nfs/dbraw/zinc/47/09/56/552470956.db2.gz GFEPOHUGRWZRQV-AWEZNQCLSA-N 1 0 375.296 2.677 20 0 GFADRO O=S(=O)(CC[NH+]1CCCC1)N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000189748046 552479391 /nfs/dbraw/zinc/47/93/91/552479391.db2.gz TXMPXORKFBSMSF-LBPRGKRZSA-N 1 0 397.488 2.767 20 0 GFADRO C[C@H](O)C[NH+]1CCN(Cc2cc(Br)cc(C(F)(F)F)c2)CC1 ZINC000189859748 552481318 /nfs/dbraw/zinc/48/13/18/552481318.db2.gz CTPWWGCFEMUQMT-NSHDSACASA-N 1 0 381.236 2.966 20 0 GFADRO C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)Nc2cc(Cl)cc(C(F)(F)F)c2)C1 ZINC000189963267 552484003 /nfs/dbraw/zinc/48/40/03/552484003.db2.gz SPDBNYWBOKRIOA-JTQLQIEISA-N 1 0 377.794 2.755 20 0 GFADRO C[C@H]1CSCC[N@H+](CC(=O)Nc2ccc(I)cc2)C1 ZINC000190409463 552495540 /nfs/dbraw/zinc/49/55/40/552495540.db2.gz JSJFENDGUHOOHU-LLVKDONJSA-N 1 0 390.290 2.915 20 0 GFADRO COCCN(Cc1sccc1Br)C(=O)NC1CC[NH+](C)CC1 ZINC000190447613 552496328 /nfs/dbraw/zinc/49/63/28/552496328.db2.gz YRPRIPPCZCYKKM-UHFFFAOYSA-N 1 0 390.347 2.763 20 0 GFADRO Cc1cc(NC(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)C2)cc(C)c1Br ZINC000190442968 552496433 /nfs/dbraw/zinc/49/64/33/552496433.db2.gz QZTRGJPWBBAPBF-HNNXBMFYSA-N 1 0 394.313 2.701 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1cc(Cl)ccc1O[C@@H](C)COC ZINC000190449245 552496862 /nfs/dbraw/zinc/49/68/62/552496862.db2.gz YYKUEAMUDRGQTN-ZFWWWQNUSA-N 1 0 390.933 2.516 20 0 GFADRO CCOC(=O)c1sc2nc(CN3CCSC[C@H](C)C3)nc(N)c2c1C ZINC000190471796 552497533 /nfs/dbraw/zinc/49/75/33/552497533.db2.gz BKSPYCFGWNMSCB-SNVBAGLBSA-N 1 0 380.539 2.944 20 0 GFADRO CNC(=O)CN1CCC([NH2+][C@H](c2ccc(Br)s2)C2CC2)CC1 ZINC000190582571 552502182 /nfs/dbraw/zinc/50/21/82/552502182.db2.gz AVQUOQYEIGEYGS-INIZCTEOSA-N 1 0 386.359 2.762 20 0 GFADRO COCC[NH+]1CCC(N[C@@H](C(=O)OC)c2ccc(Cl)c(Cl)c2)CC1 ZINC000190607085 552502966 /nfs/dbraw/zinc/50/29/66/552502966.db2.gz DNFKGSHJEDPUIL-MRXNPFEDSA-N 1 0 375.296 2.908 20 0 GFADRO CNC(=O)CC1CCN([C@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)CC1 ZINC000190621598 552503378 /nfs/dbraw/zinc/50/33/78/552503378.db2.gz CIYUHDFREBLZRX-INIZCTEOSA-N 1 0 384.307 2.947 20 0 GFADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)Nc3cc(Cl)c(N)c(Cl)c3)C2)CC1 ZINC000190845306 552510312 /nfs/dbraw/zinc/51/03/12/552510312.db2.gz VYDMMSLUPVSLME-CYBMUJFWSA-N 1 0 386.327 2.819 20 0 GFADRO C[NH+](C)[C@H]1CCCN(C(=O)c2nc(Br)ccc2Br)C1 ZINC000191103289 552518836 /nfs/dbraw/zinc/51/88/36/552518836.db2.gz VUPZUJMWZJTKHS-VIFPVBQESA-N 1 0 391.107 2.773 20 0 GFADRO C[N@@H+](Cc1cc(Br)cc(Br)c1N)CC1CC(O)C1 ZINC000191157227 552520327 /nfs/dbraw/zinc/52/03/27/552520327.db2.gz GZNCXPJLWRJLDR-UHFFFAOYSA-N 1 0 378.108 2.997 20 0 GFADRO O=C1[C@@H]([NH2+]Cc2cncc(Br)c2)CCN1Cc1ccc(F)cc1 ZINC000191764614 552537425 /nfs/dbraw/zinc/53/74/25/552537425.db2.gz MEXGHJSTDCACOW-INIZCTEOSA-N 1 0 378.245 2.874 20 0 GFADRO CCCS(=O)(=O)NC1CC[NH+](CCOc2ccc(Cl)c(F)c2)CC1 ZINC000191942739 552543744 /nfs/dbraw/zinc/54/37/44/552543744.db2.gz SJFHFCIRVTXTGU-UHFFFAOYSA-N 1 0 378.897 2.652 20 0 GFADRO COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000191965418 552544464 /nfs/dbraw/zinc/54/44/64/552544464.db2.gz UPBYKLJHYUNQAW-LLVKDONJSA-N 1 0 388.295 2.789 20 0 GFADRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)c2cc(Br)nn2C)C1 ZINC000192118015 552551651 /nfs/dbraw/zinc/55/16/51/552551651.db2.gz RWTTXIWPXZSMIM-KBPBESRZSA-N 1 0 383.334 2.909 20 0 GFADRO Cn1nc(Br)cc1C(=O)N(Cc1ccco1)C1CC[NH+](C)CC1 ZINC000192115094 552551830 /nfs/dbraw/zinc/55/18/30/552551830.db2.gz ZCYGCXAZHZZUIY-UHFFFAOYSA-N 1 0 381.274 2.512 20 0 GFADRO O=C(c1cc(Br)c(F)cc1F)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000192153043 552553539 /nfs/dbraw/zinc/55/35/39/552553539.db2.gz ULVDUQAKYWKJOG-NSHDSACASA-N 1 0 389.240 2.522 20 0 GFADRO C[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2ccc(Cl)c(Br)c2)C1 ZINC000192207934 552556279 /nfs/dbraw/zinc/55/62/79/552556279.db2.gz PJHQJTHXYLZDIM-JTQLQIEISA-N 1 0 381.723 2.723 20 0 GFADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)Nc1c(F)cc(F)cc1Br ZINC000192290706 552558341 /nfs/dbraw/zinc/55/83/41/552558341.db2.gz HWTKSZYHUIBFDD-NSHDSACASA-N 1 0 392.244 2.960 20 0 GFADRO COc1cc(Cl)c(S(=O)(=O)NCC[NH+]2CCCCCC2)cc1OC ZINC000192801986 552973979 /nfs/dbraw/zinc/97/39/79/552973979.db2.gz KJDZBDXJCUXNGJ-UHFFFAOYSA-N 1 0 376.906 2.512 20 0 GFADRO CCCCN(C(=O)C[NH2+][C@H](C)c1cc(C)sc1C)[C@H]1CCS(=O)(=O)C1 ZINC000193132066 552984370 /nfs/dbraw/zinc/98/43/70/552984370.db2.gz YASSICNLRWBXHV-ZBFHGGJFSA-N 1 0 386.583 2.831 20 0 GFADRO [NH3+][C@@H]1CCCN(S(=O)(=O)c2cc(Br)c(Cl)cc2Cl)C1 ZINC000193225287 552986922 /nfs/dbraw/zinc/98/69/22/552986922.db2.gz HRSRRHNPZRZKOY-SSDOTTSWSA-N 1 0 388.114 2.868 20 0 GFADRO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N(C)CC[C@H]([NH3+])C(C)C ZINC000193303469 552989657 /nfs/dbraw/zinc/98/96/57/552989657.db2.gz KZPPSOGJQLQNRK-ZFWWWQNUSA-N 1 0 392.949 2.748 20 0 GFADRO CCC([NH3+])(CC)CNS(=O)(=O)c1cc(Cl)ccc1O[C@@H](C)COC ZINC000193299053 552989719 /nfs/dbraw/zinc/98/97/19/552989719.db2.gz IJLWSWOPZRKFJZ-LBPRGKRZSA-N 1 0 378.922 2.550 20 0 GFADRO CCCN(C1CC[NH2+]CC1)S(=O)(=O)c1cc(OC)c(OC)cc1Cl ZINC000193306174 552989971 /nfs/dbraw/zinc/98/99/71/552989971.db2.gz CMNFZMUDRQNHTK-UHFFFAOYSA-N 1 0 376.906 2.510 20 0 GFADRO C[NH+](C)Cc1ccnc(NC(=O)[C@H]2Cc3cc(Br)ccc3O2)c1 ZINC000193581414 552997732 /nfs/dbraw/zinc/99/77/32/552997732.db2.gz XBWNQWUNWCPAQG-OAHLLOKOSA-N 1 0 376.254 2.848 20 0 GFADRO Cc1ccc(S(=O)(=O)N(Cc2ccco2)C2CC[NH+](C)CC2)c(Cl)n1 ZINC000193774286 553002728 /nfs/dbraw/zinc/00/27/28/553002728.db2.gz MBFLYXKWYOHMCF-UHFFFAOYSA-N 1 0 383.901 2.922 20 0 GFADRO CC(C)COC[C@H](O)CN1CCN(C(=O)c2c(Cl)cccc2Cl)CC1 ZINC000193825207 553004454 /nfs/dbraw/zinc/00/44/54/553004454.db2.gz NNMAVCYKKDDQRW-CQSZACIVSA-N 1 0 389.323 2.785 20 0 GFADRO C[NH+]1CCC2(CC1)C[C@H](NC(=O)[C@H]1CSCCS1)c1ccccc1O2 ZINC000193974647 553008910 /nfs/dbraw/zinc/00/89/10/553008910.db2.gz JDUADQWNEJJZLU-DOTOQJQBSA-N 1 0 378.563 2.939 20 0 GFADRO O[C@H](C[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCC2)COc1ccccc1Br ZINC000194114511 553012096 /nfs/dbraw/zinc/01/20/96/553012096.db2.gz CENJCCMACWOBBZ-UTJXIGIESA-N 1 0 382.298 2.736 20 0 GFADRO CN(C)C(=O)[C@@H]1CC[C@@H](C[NH2+]C2CC(c3ccc(Br)cc3)C2)O1 ZINC000194133680 553012975 /nfs/dbraw/zinc/01/29/75/553012975.db2.gz DTRVPYHQPWLJQR-KMZOKZLKSA-N 1 0 381.314 2.921 20 0 GFADRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2Cc3cc(Br)ccc3O2)C1 ZINC000194400282 553019912 /nfs/dbraw/zinc/01/99/12/553019912.db2.gz ZRCTZXKVLZWTAN-GUYCJALGSA-N 1 0 381.314 2.847 20 0 GFADRO O=C(c1cc2c(c(Br)c1)OCO2)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000194678075 553026960 /nfs/dbraw/zinc/02/69/60/553026960.db2.gz WUCYRNMAXBOUFE-CYBMUJFWSA-N 1 0 381.270 2.878 20 0 GFADRO O=S(=O)(NC1CC[NH+](C2CCCCC2)CC1)c1cccc2nsnc21 ZINC000194790639 553030032 /nfs/dbraw/zinc/03/00/32/553030032.db2.gz BKJGNDILDUDEKF-UHFFFAOYSA-N 1 0 380.539 2.767 20 0 GFADRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000195054005 553036806 /nfs/dbraw/zinc/03/68/06/553036806.db2.gz VNYIDRDLPBCUQB-OAHLLOKOSA-N 1 0 388.295 2.501 20 0 GFADRO C[C@H]1C[NH+](CCCNC(=O)NCc2ccccc2Br)C[C@H](C)O1 ZINC000195070857 553037278 /nfs/dbraw/zinc/03/72/78/553037278.db2.gz HLGUTNBPBBVHFR-KBPBESRZSA-N 1 0 384.318 2.748 20 0 GFADRO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)c1cc(Cl)ccc1I ZINC000226269915 553061474 /nfs/dbraw/zinc/06/14/74/553061474.db2.gz BUQMKNPRTOYCJA-UFBFGSQYSA-N 1 0 378.641 2.802 20 0 GFADRO O=C(c1ccc(Br)cc1)c1ccccc1C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000195268583 553043149 /nfs/dbraw/zinc/04/31/49/553043149.db2.gz KRBFLFMRQBFSHU-GASCZTMLSA-N 1 0 399.288 2.972 20 0 GFADRO C[C@@]([NH3+])(C(=O)NC[C@H](O)COc1cccc(Cl)c1Cl)c1ccccc1 ZINC000195258376 553043338 /nfs/dbraw/zinc/04/33/38/553043338.db2.gz IXSJQLZHOGYART-UGSOOPFHSA-N 1 0 383.275 2.723 20 0 GFADRO COc1cc(Br)ccc1C(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000195334917 553045709 /nfs/dbraw/zinc/04/57/09/553045709.db2.gz LXMXSRRFSBEUPK-AWEZNQCLSA-N 1 0 385.302 2.544 20 0 GFADRO O=S(=O)(NC[C@H]1CCC[NH2+]1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000208885493 553052217 /nfs/dbraw/zinc/05/22/17/553052217.db2.gz IPOLPOPRIBHSKQ-SNVBAGLBSA-N 1 0 376.322 2.755 20 0 GFADRO Cc1sc(Br)cc1S(=O)(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000220971945 553055066 /nfs/dbraw/zinc/05/50/66/553055066.db2.gz YDGDZJSSRFRXNJ-RYUDHWBXSA-N 1 0 393.372 2.924 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc(F)cc1I ZINC000223504649 553056087 /nfs/dbraw/zinc/05/60/87/553056087.db2.gz JADAIHAEMDJRDF-KGLIPLIRSA-N 1 0 388.224 2.787 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)c2cc(Cl)ccc2I)C1 ZINC000226544022 553061562 /nfs/dbraw/zinc/06/15/62/553061562.db2.gz NNSYVSXVUOZBHO-DTWKUNHWSA-N 1 0 378.641 2.754 20 0 GFADRO C[NH+](C)C1(CNC(=O)c2ccc(I)c(O)c2)CCCC1 ZINC000230889127 553065615 /nfs/dbraw/zinc/06/56/15/553065615.db2.gz URJYHVLUTIWNHJ-UHFFFAOYSA-N 1 0 388.249 2.601 20 0 GFADRO O=C(N[C@H]1CCC[NH2+]CC1)c1ccc(I)c(Cl)c1 ZINC000232237374 553066142 /nfs/dbraw/zinc/06/61/42/553066142.db2.gz JPAAWWUMSSUDFY-JTQLQIEISA-N 1 0 378.641 2.817 20 0 GFADRO CC[C@H]1C[N@H+](C)CCCN1C(=O)c1csc(I)c1 ZINC000234061188 553067216 /nfs/dbraw/zinc/06/72/16/553067216.db2.gz YQAWNEVOUWYPSQ-NSHDSACASA-N 1 0 378.279 2.909 20 0 GFADRO C[C@H](NS(=O)(=O)c1ccc(Cl)c(Br)c1)[C@H]1CCC[NH2+]C1 ZINC000235507268 553068489 /nfs/dbraw/zinc/06/84/89/553068489.db2.gz SYVXFDGLIZFDFE-UWVGGRQHSA-N 1 0 381.723 2.769 20 0 GFADRO [NH3+]CC[C@H]1CCCN(C(=O)c2ccc(F)cc2I)C1 ZINC000236260693 553068774 /nfs/dbraw/zinc/06/87/74/553068774.db2.gz ASALVDVFBMIHSE-SNVBAGLBSA-N 1 0 376.213 2.631 20 0 GFADRO CC(C)[C@H]([NH3+])CCN(C)C(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000236598749 553069682 /nfs/dbraw/zinc/06/96/82/553069682.db2.gz ILCYJFWNNSUVKM-DZGCQCFKSA-N 1 0 396.329 2.634 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)N(C)C1CC[NH2+]CC1 ZINC000236827467 553071479 /nfs/dbraw/zinc/07/14/79/553071479.db2.gz ICAZZBNRZKSXSG-CQSZACIVSA-N 1 0 384.567 2.561 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)N1CCC[C@H]1C[NH2+]C ZINC000236828040 553071788 /nfs/dbraw/zinc/07/17/88/553071788.db2.gz ZLHAGIYUWZNPGX-CABCVRRESA-N 1 0 384.567 2.561 20 0 GFADRO CCCN(C1CC[NH2+]CC1)S(=O)(=O)c1cc(C)ccc1Br ZINC000236872546 553072058 /nfs/dbraw/zinc/07/20/58/553072058.db2.gz XBDHNHYQLVVTGO-UHFFFAOYSA-N 1 0 375.332 2.910 20 0 GFADRO CCOc1ccc(S(=O)(=O)N(C)CC[C@@H]([NH3+])C(C)C)cc1Br ZINC000236872464 553072465 /nfs/dbraw/zinc/07/24/65/553072465.db2.gz DPEAYRCWFDDXGU-CQSZACIVSA-N 1 0 393.347 2.842 20 0 GFADRO COCC[C@@H](Cc1cccc(Br)c1)C(=O)N1CCC[C@H](C[NH3+])C1 ZINC000237104845 553074743 /nfs/dbraw/zinc/07/47/43/553074743.db2.gz CYVCYGHNSSUBMN-CVEARBPZSA-N 1 0 383.330 2.842 20 0 GFADRO COc1ccc(Br)cc1C(=O)CCC(=O)N1CC[C@H]([NH3+])C[C@H]1C ZINC000237110034 553074776 /nfs/dbraw/zinc/07/47/76/553074776.db2.gz JRTNACKVSPMGKC-YPMHNXCESA-N 1 0 383.286 2.759 20 0 GFADRO CCc1c(C(=O)N[C@@H]2CCC[NH2+]C2)cnn1-c1ccc(Br)cc1 ZINC000237108716 553074988 /nfs/dbraw/zinc/07/49/88/553074988.db2.gz GWVVNKBTBDGCQA-CYBMUJFWSA-N 1 0 377.286 2.679 20 0 GFADRO CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)[C@@]1(C)CC[NH2+]C1 ZINC000237103504 553075048 /nfs/dbraw/zinc/07/50/48/553075048.db2.gz DOCPHUAQBRDXSH-HNNXBMFYSA-N 1 0 377.794 2.755 20 0 GFADRO COCC[C@H](Cc1cccc(Br)c1)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000237117855 553075051 /nfs/dbraw/zinc/07/50/51/553075051.db2.gz XMEVFPFFWZRIIT-HZPDHXFCSA-N 1 0 383.330 2.760 20 0 GFADRO C[NH2+]C[C@@H](C)CNC(=O)c1cnn(-c2ncccc2Cl)c1C(F)(F)F ZINC000237349600 553076932 /nfs/dbraw/zinc/07/69/32/553076932.db2.gz RTGNCJKGYUYLBK-SECBINFHSA-N 1 0 375.782 2.525 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)CCNC(=O)Nc2ccc(Br)cc2)C1 ZINC000237409537 553077718 /nfs/dbraw/zinc/07/77/18/553077718.db2.gz BDVJCAYMSNRLKZ-STQMWFEESA-N 1 0 397.317 2.547 20 0 GFADRO C[C@H]1CN(C(=O)c2cccn2-c2cccc(I)c2)CC[NH2+]1 ZINC000237527673 553078795 /nfs/dbraw/zinc/07/87/95/553078795.db2.gz DTVCFCOZUSHZBN-LBPRGKRZSA-N 1 0 395.244 2.516 20 0 GFADRO C[C@H](C[NH3+])CNC(=O)c1cccc(NC(=O)c2ccc(Br)o2)c1 ZINC000237583303 553079346 /nfs/dbraw/zinc/07/93/46/553079346.db2.gz MFUUFZFITMSMQT-SNVBAGLBSA-N 1 0 380.242 2.619 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C(=O)N1C[C@H](C)[NH2+]C[C@@H]1C ZINC000237581651 553079513 /nfs/dbraw/zinc/07/95/13/553079513.db2.gz ZQIYWDNWAWMYJO-RYUDHWBXSA-N 1 0 377.286 2.766 20 0 GFADRO C[C@H](C[NH3+])N(C)C(=O)Cc1ccc(NC(=O)c2ccc(Br)o2)cc1 ZINC000237613960 553079987 /nfs/dbraw/zinc/07/99/87/553079987.db2.gz YECRPQNYDLGJMC-LLVKDONJSA-N 1 0 394.269 2.643 20 0 GFADRO Cc1nn(-c2ccc(C(=O)N3CCC([NH3+])CC3)cc2)c(C)c1Br ZINC000237657249 553080556 /nfs/dbraw/zinc/08/05/56/553080556.db2.gz UECIJZXQUSLPGN-UHFFFAOYSA-N 1 0 377.286 2.815 20 0 GFADRO O=C(C[NH2+]C[C@@H]1CCCO1)NCc1cc(Cl)cc(Cl)c1OC(F)F ZINC000237791529 553081571 /nfs/dbraw/zinc/08/15/71/553081571.db2.gz XFLJFAJCDOKHHV-NSHDSACASA-N 1 0 383.222 2.980 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)CC1CC[NH2+]CC1 ZINC000237785033 553081679 /nfs/dbraw/zinc/08/16/79/553081679.db2.gz YUXLTJHGABBSIG-UHFFFAOYSA-N 1 0 382.302 2.592 20 0 GFADRO Cc1c(C(=O)NC[C@@H]2CCCC[NH2+]2)cnn1-c1ccc(Br)cc1 ZINC000237803059 553082288 /nfs/dbraw/zinc/08/22/88/553082288.db2.gz ZVAOBKGZHHJPER-AWEZNQCLSA-N 1 0 377.286 2.815 20 0 GFADRO [NH3+]CCCOC1CCN(C(=O)CCOc2cccc(Br)c2)CC1 ZINC000237817604 553082360 /nfs/dbraw/zinc/08/23/60/553082360.db2.gz UCYDVTNLRAATAB-UHFFFAOYSA-N 1 0 385.302 2.574 20 0 GFADRO Cc1ccc(S(=O)(=O)N2CCC([NH2+]CC3CC3)CC2)cc1Br ZINC000237831167 553082789 /nfs/dbraw/zinc/08/27/89/553082789.db2.gz ATECIUZQNOMWAN-UHFFFAOYSA-N 1 0 387.343 2.910 20 0 GFADRO [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)NCCNC(=O)c1ccc(Br)cc1 ZINC000237864347 553083225 /nfs/dbraw/zinc/08/32/25/553083225.db2.gz DKSKDJIICGYOTB-JKSUJKDBSA-N 1 0 396.329 2.593 20 0 GFADRO [NH3+][C@H]1CCN(C(=O)CCCCCc2ccc(I)cc2)C1 ZINC000237918454 553083761 /nfs/dbraw/zinc/08/37/61/553083761.db2.gz SFBQWXBLIFNFKR-HNNXBMFYSA-N 1 0 386.277 2.954 20 0 GFADRO O=C(c1cn(C2CC[NH2+]CC2)nn1)N1CCc2cc(Cl)cc(Cl)c2C1 ZINC000237906137 553083917 /nfs/dbraw/zinc/08/39/17/553083917.db2.gz VUCQNOMIDZEXBG-UHFFFAOYSA-N 1 0 380.279 2.708 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H](C(=O)NCCc2ccc(I)s2)C1 ZINC000237969510 553084457 /nfs/dbraw/zinc/08/44/57/553084457.db2.gz YBLGGHQXLAIWOJ-NXEZZACHSA-N 1 0 378.279 2.529 20 0 GFADRO [NH3+][C@@H](Cc1ccccc1)C(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000238075142 553085721 /nfs/dbraw/zinc/08/57/21/553085721.db2.gz CACWGXKLBGEHSH-INIZCTEOSA-N 1 0 379.291 2.607 20 0 GFADRO CC[C@H](C)[N@H+](C)CCNC(=O)NC[C@@H](O)COc1cccc(Cl)c1Cl ZINC000245392710 553089420 /nfs/dbraw/zinc/08/94/20/553089420.db2.gz BNZYLIUYOHDOKD-QWHCGFSZSA-N 1 0 392.327 2.763 20 0 GFADRO C[C@@H]1C[N@H+](C[C@@H](O)COc2ccc(Cl)cc2Br)CCCO1 ZINC000245406899 553089842 /nfs/dbraw/zinc/08/98/42/553089842.db2.gz YWXYBHJCNSXLSL-DGCLKSJQSA-N 1 0 378.694 2.953 20 0 GFADRO C[C@@H](O)C[N@H+](C)[C@H](C)C(=O)Nc1ccc(Br)cc1Br ZINC000245734657 553096217 /nfs/dbraw/zinc/09/62/17/553096217.db2.gz CWNZTSSEADLHBQ-RKDXNWHRSA-N 1 0 394.107 2.851 20 0 GFADRO C[N@H+](C[C@H](O)COc1ccccc1)[C@H](CO)c1cccc(Br)c1 ZINC000245973131 553100303 /nfs/dbraw/zinc/10/03/03/553100303.db2.gz WQGJIYIYGDMZIF-FUHWJXTLSA-N 1 0 380.282 2.854 20 0 GFADRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)NCCOc2ncc(Cl)cc2Cl)C1 ZINC000246025858 553100931 /nfs/dbraw/zinc/10/09/31/553100931.db2.gz VNZNHUKOGDXBIP-WFASDCNBSA-N 1 0 387.311 2.893 20 0 GFADRO Cc1cccc(S(=O)(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)c1Br ZINC000246181793 553103759 /nfs/dbraw/zinc/10/37/59/553103759.db2.gz GWTMARZIAIREEV-CHWSQXEVSA-N 1 0 375.332 2.718 20 0 GFADRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)S(=O)(=O)c1ccc(OC(F)F)c(Cl)c1 ZINC000246257935 553105262 /nfs/dbraw/zinc/10/52/62/553105262.db2.gz TZKUPRJXJWHTDM-ZWNOBZJWSA-N 1 0 382.860 2.902 20 0 GFADRO O=C(CC[N@@H+]1CCO[C@H]([C@H]2CCCO2)C1)Nc1ccc(Br)cc1 ZINC000246302098 553105739 /nfs/dbraw/zinc/10/57/39/553105739.db2.gz VHSZTJBHZNLASO-CVEARBPZSA-N 1 0 383.286 2.658 20 0 GFADRO CCCN(C(=O)[C@H](C)[NH2+][C@H](C)c1cc(C)sc1C)[C@H]1CCS(=O)(=O)C1 ZINC000246435212 553107918 /nfs/dbraw/zinc/10/79/18/553107918.db2.gz NCOPPNRAMVEKMX-YCPHGPKFSA-N 1 0 386.583 2.830 20 0 GFADRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2csc(I)c2)C1 ZINC000246551106 553110133 /nfs/dbraw/zinc/11/01/33/553110133.db2.gz GWAWKKKMTDDNFG-JQWIXIFHSA-N 1 0 390.290 2.909 20 0 GFADRO C[N@H+](C[C@@H](O)COc1ccc(Cl)cc1Br)C[C@H]1CCOC1 ZINC000247038270 553117422 /nfs/dbraw/zinc/11/74/22/553117422.db2.gz MTXISPORDRNIBU-DGCLKSJQSA-N 1 0 378.694 2.811 20 0 GFADRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1cc(Br)c2c(c1)OCCO2 ZINC000247174808 553119625 /nfs/dbraw/zinc/11/96/25/553119625.db2.gz AXIQYCVEPACSGK-SMDDNHRTSA-N 1 0 383.286 2.633 20 0 GFADRO COc1cc(C(=O)N(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)cc(OC)c1Br ZINC000247257142 553120034 /nfs/dbraw/zinc/12/00/34/553120034.db2.gz DWODQHOMAOTMLW-WCQYABFASA-N 1 0 385.302 2.879 20 0 GFADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)NCc3ccc(O)c(Br)c3)CC[C@H]21 ZINC000247296553 553120707 /nfs/dbraw/zinc/12/07/07/553120707.db2.gz UKTXMSMVNLDHOP-UKRRQHHQSA-N 1 0 382.302 2.780 20 0 GFADRO C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N(C)[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000247352337 553121502 /nfs/dbraw/zinc/12/15/02/553121502.db2.gz JUNDOOXCNAHPCY-HUBLWGQQSA-N 1 0 386.323 2.910 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2ccc(F)c(Br)c2)[C@@H](C)C1 ZINC000247422636 553122295 /nfs/dbraw/zinc/12/22/95/553122295.db2.gz KSNQATMVPAUPSS-XHDPSFHLSA-N 1 0 393.322 2.939 20 0 GFADRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2S(=O)(=O)c2ccc(F)cc2C(F)(F)F)C1 ZINC000247673368 553125180 /nfs/dbraw/zinc/12/51/80/553125180.db2.gz ZVTJREIUJHTLIF-SMDDNHRTSA-N 1 0 380.407 2.949 20 0 GFADRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2S(=O)(=O)c2ccc(Br)cc2F)C1 ZINC000248481967 553130561 /nfs/dbraw/zinc/13/05/61/553130561.db2.gz SVULVUJGMZQSBA-FZMZJTMJSA-N 1 0 391.306 2.693 20 0 GFADRO C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@@H](C)c2ccccc2Br)C[C@@H]1C ZINC000248632829 553132407 /nfs/dbraw/zinc/13/24/07/553132407.db2.gz PNTYQROJZGFSDM-IHRRRGAJSA-N 1 0 384.318 2.607 20 0 GFADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2Cc3cc(Br)ccc3O2)C1 ZINC000248751167 553134253 /nfs/dbraw/zinc/13/42/53/553134253.db2.gz ONDHWVORMDVLRM-SUMWQHHRSA-N 1 0 381.314 2.943 20 0 GFADRO COCCOC[C@H]1CC[N@@H+]([C@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000248849934 553136136 /nfs/dbraw/zinc/13/61/36/553136136.db2.gz BUDFMISPPXKTCN-YOEHRIQHSA-N 1 0 397.313 2.539 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(Cl)c(S(C)(=O)=O)c2)[C@@H](C)C1 ZINC000249084209 553139025 /nfs/dbraw/zinc/13/90/25/553139025.db2.gz SYANLRWJNZXIDC-SWLSCSKDSA-N 1 0 387.933 2.938 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2cccc(Br)c2C)[C@@H](C)C1 ZINC000249137206 553139669 /nfs/dbraw/zinc/13/96/69/553139669.db2.gz FAJNQNZOQAEDSB-LRDDRELGSA-N 1 0 396.329 2.885 20 0 GFADRO Cc1ccc(Br)c(NC(=O)C(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000249237015 553141154 /nfs/dbraw/zinc/14/11/54/553141154.db2.gz WFMVMUJIGPVVGS-STQMWFEESA-N 1 0 382.302 2.637 20 0 GFADRO Cc1cccc(NC(=O)C(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1Br ZINC000249266245 553141896 /nfs/dbraw/zinc/14/18/96/553141896.db2.gz ZMVFTWQYSCSQFE-STQMWFEESA-N 1 0 382.302 2.637 20 0 GFADRO C[C@@H](C(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C)c1ccc(Br)s1 ZINC000249383004 553142240 /nfs/dbraw/zinc/14/22/40/553142240.db2.gz PJQMGWRKOFBIAF-VXGBXAGGSA-N 1 0 389.359 2.918 20 0 GFADRO C[C@H](c1ccc(Br)cc1)N1CC[NH+](CCN2CCOC[C@@H]2C)CC1 ZINC000249395746 553143054 /nfs/dbraw/zinc/14/30/54/553143054.db2.gz BYLQYDCSAKMWTN-DLBZAZTESA-N 1 0 396.373 2.848 20 0 GFADRO CC(=O)NC[C@H]1CCC[N@H+](C[C@@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000249823486 553146594 /nfs/dbraw/zinc/14/65/94/553146594.db2.gz OSQIUXUINQKANR-UKRRQHHQSA-N 1 0 375.296 2.581 20 0 GFADRO C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1 ZINC000249940968 553146821 /nfs/dbraw/zinc/14/68/21/553146821.db2.gz VVXTVGJPZQGWKF-XJKSGUPXSA-N 1 0 384.307 2.808 20 0 GFADRO C[N@@H+](Cc1cc(Br)ccc1F)C[C@H](O)COC[C@H]1CCCO1 ZINC000250201924 553147321 /nfs/dbraw/zinc/14/73/21/553147321.db2.gz FIYCCHXUZVWTQP-LSDHHAIUSA-N 1 0 376.266 2.577 20 0 GFADRO C[C@H](Oc1ccc(F)cc1Br)C(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000261700063 553156550 /nfs/dbraw/zinc/15/65/50/553156550.db2.gz FLJPEJOUDSKADU-RWMBFGLXSA-N 1 0 385.277 2.814 20 0 GFADRO [NH3+][C@@H]1CN(S(=O)(=O)c2ccccc2Br)C[C@H]1c1ccccc1 ZINC000261726623 553157435 /nfs/dbraw/zinc/15/74/35/553157435.db2.gz NXDFYEVZRHXBHM-DZGCQCFKSA-N 1 0 381.295 2.565 20 0 GFADRO Cc1c(I)cccc1C(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000261842065 553160682 /nfs/dbraw/zinc/16/06/82/553160682.db2.gz PQMZPPORJVVGSM-BETUJISGSA-N 1 0 384.261 2.671 20 0 GFADRO C[C@]([NH3+])(C(=O)N[C@@H]1CCCc2[nH]c(=O)ccc21)c1ccc(Br)cc1 ZINC000261837295 553160718 /nfs/dbraw/zinc/16/07/18/553160718.db2.gz UPNKRXYGUJMETR-CRAIPNDOSA-N 1 0 390.281 2.917 20 0 GFADRO Cn1ccnc1[C@H]1C[NH2+]CCN1Cc1cc(Br)cc2cccnc21 ZINC000261856366 553160895 /nfs/dbraw/zinc/16/08/95/553160895.db2.gz YSZHYVGVTQELHI-MRXNPFEDSA-N 1 0 386.297 2.877 20 0 GFADRO Cc1cc(F)c(Br)cc1S(=O)(=O)N1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000261885890 553161525 /nfs/dbraw/zinc/16/15/25/553161525.db2.gz UVSDCZPWGSXUKV-MFKMUULPSA-N 1 0 379.295 2.787 20 0 GFADRO O=C(c1cnn(-c2ccc(Br)cc2)c1)N1CCC2(CC[NH2+]C2)CC1 ZINC000261873694 553161748 /nfs/dbraw/zinc/16/17/48/553161748.db2.gz SOLYGIPBZYPCEP-UHFFFAOYSA-N 1 0 389.297 2.851 20 0 GFADRO C[C@@H]1CSc2ccc(Br)cc2[C@@H]1NC(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000261912304 553162228 /nfs/dbraw/zinc/16/22/28/553162228.db2.gz XTLJIGAFKMXWCE-ZOUAZZMLSA-N 1 0 385.327 2.855 20 0 GFADRO [NH3+]C[C@@H](NS(=O)(=O)c1cccc(Br)c1Cl)C1CCCC1 ZINC000261988419 553163970 /nfs/dbraw/zinc/16/39/70/553163970.db2.gz DNXZYHSUDKYSDY-LLVKDONJSA-N 1 0 381.723 2.898 20 0 GFADRO [NH3+][C@H](C(=O)N1CCO[C@@H](c2cc(F)c(Cl)cc2Cl)C1)C1CCOCC1 ZINC000262179166 553167125 /nfs/dbraw/zinc/16/71/25/553167125.db2.gz YZWRQJSQDDKOKF-CVEARBPZSA-N 1 0 391.270 2.786 20 0 GFADRO O=C(CN1CC[NH2+]C[C@H]1c1ccccc1Cl)N1CCc2sccc2C1 ZINC000262302147 553168799 /nfs/dbraw/zinc/16/87/99/553168799.db2.gz XQDUDBVTDLZUFZ-KRWDZBQOSA-N 1 0 375.925 2.933 20 0 GFADRO O=C(C[C@H]1COCC[NH2+]1)Nc1ncc(Cc2cccc(Br)c2)s1 ZINC000262317083 553169221 /nfs/dbraw/zinc/16/92/21/553169221.db2.gz CIWKWYSZUZLDSZ-ZDUSSCGKSA-N 1 0 396.310 2.813 20 0 GFADRO COCC1(C(=O)NCC2(c3ccccc3Br)CC2)CC[NH2+]CC1 ZINC000262358888 553169692 /nfs/dbraw/zinc/16/96/92/553169692.db2.gz JWIUQBVVRULKLJ-UHFFFAOYSA-N 1 0 381.314 2.613 20 0 GFADRO C[C@H]1C[C@@H](C(=O)N2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)CC[NH2+]1 ZINC000262390711 553169771 /nfs/dbraw/zinc/16/97/71/553169771.db2.gz MUMVDLOVQGKZTD-STQMWFEESA-N 1 0 384.307 2.666 20 0 GFADRO CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000262582135 553172578 /nfs/dbraw/zinc/17/25/78/553172578.db2.gz KSVDJQVASZUBGH-HNNXBMFYSA-N 1 0 385.961 2.635 20 0 GFADRO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000262593255 553172858 /nfs/dbraw/zinc/17/28/58/553172858.db2.gz SLDOWMKJPMGMQN-NSHDSACASA-N 1 0 379.254 2.593 20 0 GFADRO [NH3+]C[C@H](NS(=O)(=O)c1cccc(Cl)c1Br)C1CCCC1 ZINC000262739308 553174723 /nfs/dbraw/zinc/17/47/23/553174723.db2.gz BNNMAIUVAZHGFA-NSHDSACASA-N 1 0 381.723 2.898 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000262756762 553175015 /nfs/dbraw/zinc/17/50/15/553175015.db2.gz PBWXGUODGVKMEH-YDHLFZDLSA-N 1 0 394.313 2.530 20 0 GFADRO O=S(=O)(c1ccc(C(F)(F)F)c(F)c1)N1CCC([NH2+]CC2CC2)CC1 ZINC000262759951 553175125 /nfs/dbraw/zinc/17/51/25/553175125.db2.gz JFCGBNONZRXLSQ-UHFFFAOYSA-N 1 0 380.407 2.997 20 0 GFADRO CC[NH2+]CC1CCN(S(=O)(=O)c2cccc(Br)c2F)CC1 ZINC000262769129 553175168 /nfs/dbraw/zinc/17/51/68/553175168.db2.gz LUDWXVUQSNYZGU-UHFFFAOYSA-N 1 0 379.295 2.598 20 0 GFADRO [NH3+]C[C@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(Cl)cc1Br ZINC000262811820 553176339 /nfs/dbraw/zinc/17/63/39/553176339.db2.gz YICJPNWGSXESEM-BXKDBHETSA-N 1 0 381.723 2.898 20 0 GFADRO O=S(=O)(c1cccc(Br)c1F)N1CCC([NH2+]CC2CC2)CC1 ZINC000262799719 553176465 /nfs/dbraw/zinc/17/64/65/553176465.db2.gz VAKQUCQUTWREJS-UHFFFAOYSA-N 1 0 391.306 2.741 20 0 GFADRO COc1ccc(Br)cc1NC(=O)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000262913130 553178117 /nfs/dbraw/zinc/17/81/17/553178117.db2.gz YSLFULQBTDMSSV-LBPRGKRZSA-N 1 0 379.258 2.831 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CNC(=O)[C@H]1CCCC[C@@]1(C)[NH3+] ZINC000263314898 553185714 /nfs/dbraw/zinc/18/57/14/553185714.db2.gz ZINPRZOSKNYRKJ-CXAGYDPISA-N 1 0 382.302 2.720 20 0 GFADRO COCCC[NH+]1CCC(NC(=O)COc2c(Cl)cccc2Cl)CC1 ZINC000263804885 553194031 /nfs/dbraw/zinc/19/40/31/553194031.db2.gz UNWNSXDCSZQLTE-UHFFFAOYSA-N 1 0 375.296 2.989 20 0 GFADRO CO[C@H]1CCN(C(=O)NCc2ccc(Br)cc2Cl)[C@@H](C[NH3+])C1 ZINC000417338469 563877991 /nfs/dbraw/zinc/87/79/91/563877991.db2.gz KHGAZBRQCGCXRU-OLZOCXBDSA-N 1 0 390.709 2.750 20 0 GFADRO C[NH+](C)CCOC1CCN(C(=O)Cc2sccc2Br)CC1 ZINC000448969674 563904033 /nfs/dbraw/zinc/90/40/33/563904033.db2.gz JRVQAIMUEJTBCW-UHFFFAOYSA-N 1 0 375.332 2.622 20 0 GFADRO O=C(NC[C@@H]1C[NH2+]CCCO1)Nc1cc(F)c(Br)c(Cl)c1 ZINC000565647235 564290376 /nfs/dbraw/zinc/29/03/76/564290376.db2.gz OFCOHERCEOLWNL-VIFPVBQESA-N 1 0 380.645 2.742 20 0 GFADRO CC[N@@H+](Cc1cccc(Br)c1)C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000513896044 564442293 /nfs/dbraw/zinc/44/22/93/564442293.db2.gz QMKNQLQWXXHPEY-AWEZNQCLSA-N 1 0 375.332 2.553 20 0 GFADRO CO[C@H]1C[C@H]([NH2+]CCS(=O)(=O)c2ccc(Br)cc2)C12CCC2 ZINC000453113247 564446773 /nfs/dbraw/zinc/44/67/73/564446773.db2.gz RASXHIWLYBHBDH-GJZGRUSLSA-N 1 0 388.327 2.770 20 0 GFADRO CC[N@H+](CCNC(=O)C(=O)Nc1cc(Cl)cc(Br)c1)C(C)C ZINC000453640066 564461563 /nfs/dbraw/zinc/46/15/63/564461563.db2.gz GHKCEXMKOZSVDA-UHFFFAOYSA-N 1 0 390.709 2.888 20 0 GFADRO [NH3+][C@H](CC(F)F)C(=O)NC1(c2cccc(Br)c2)CCOCC1 ZINC000570093607 564491714 /nfs/dbraw/zinc/49/17/14/564491714.db2.gz WXMOBOYOTDBNFL-GFCCVEGCSA-N 1 0 377.229 2.554 20 0 GFADRO C[S@](=O)C1(C[NH2+]Cc2cc(Br)cc(Br)c2N)CC1 ZINC000281684655 563383679 /nfs/dbraw/zinc/38/36/79/563383679.db2.gz FNTJYMDMNSZKJL-SFHVURJKSA-N 1 0 396.148 2.795 20 0 GFADRO Cc1cc(C[NH2+]Cc2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)cs1 ZINC000294685159 563213052 /nfs/dbraw/zinc/21/30/52/563213052.db2.gz AHXFZSGZQIDCEA-QGZVFWFLSA-N 1 0 380.535 2.804 20 0 GFADRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NCCc1c[nH]c2cccc(Br)c12 ZINC000418197970 563213626 /nfs/dbraw/zinc/21/36/26/563213626.db2.gz KPSKFWPBDFVSTG-ABAIWWIYSA-N 1 0 379.302 2.770 20 0 GFADRO C[C@@H]([NH3+])c1ccc(CNC(=O)N[C@@H](C)c2ncc(Br)cn2)cc1 ZINC000418223468 563214346 /nfs/dbraw/zinc/21/43/46/563214346.db2.gz YYHSNIYDCRSGGT-MNOVXSKESA-N 1 0 378.274 2.819 20 0 GFADRO O=C(N[C@H]1CCc2c1ccc(F)c2Br)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000418246268 563214650 /nfs/dbraw/zinc/21/46/50/563214650.db2.gz FSPIQBJRNHTTIW-WMLDXEAASA-N 1 0 382.277 2.971 20 0 GFADRO O=C(N[C@@H]1CCc2c1ccc(F)c2Br)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000418243198 563214710 /nfs/dbraw/zinc/21/47/10/563214710.db2.gz BPXVZMODSZTNGO-WKPIXPDZSA-N 1 0 382.277 2.969 20 0 GFADRO [NH3+]C1(CNC(=O)N[C@@H](CO)c2ccc(Br)c(F)c2)CCCCC1 ZINC000418300766 563215876 /nfs/dbraw/zinc/21/58/76/563215876.db2.gz WNIDDZBOTORAAN-AWEZNQCLSA-N 1 0 388.281 2.582 20 0 GFADRO CN(C(=O)c1csc(C(F)(F)F)n1)C1CC[NH+](C2CCOCC2)CC1 ZINC000369538786 563216471 /nfs/dbraw/zinc/21/64/71/563216471.db2.gz BMIUXMJQPNUGMD-UHFFFAOYSA-N 1 0 377.432 2.877 20 0 GFADRO C[N@@H+]1CC[C@H](CNS(=O)(=O)Cc2ccc(Cl)nc2)[C@@H]1c1cccs1 ZINC000369540411 563216614 /nfs/dbraw/zinc/21/66/14/563216614.db2.gz NROSXAXTZFXKLD-CZUORRHYSA-N 1 0 385.942 2.909 20 0 GFADRO [NH3+]C1CCC(NC(=O)N2CCO[C@H](c3ccc(Br)cc3)C2)CC1 ZINC000418390794 563216599 /nfs/dbraw/zinc/21/65/99/563216599.db2.gz UBXOXKFDTSQQKM-GPANFISMSA-N 1 0 382.302 2.802 20 0 GFADRO O=C(COc1c(Cl)cc(Cl)cc1Cl)NCCC[NH+]1CCC(O)CC1 ZINC000294795295 563216727 /nfs/dbraw/zinc/21/67/27/563216727.db2.gz BRBRISYWHDLTEA-UHFFFAOYSA-N 1 0 395.714 2.989 20 0 GFADRO C[C@@H]1[C@H](c2ccc(Br)cc2)OCCN1C(=O)NC[C@H]([NH3+])C1CC1 ZINC000418483386 563218435 /nfs/dbraw/zinc/21/84/35/563218435.db2.gz CCPZDLDMKPQWPZ-XFBWCDHKSA-N 1 0 382.302 2.658 20 0 GFADRO C[C@H]1[C@@H](c2ccc(Br)cc2)OCCN1C(=O)NCC1([NH3+])CCC1 ZINC000418507240 563218473 /nfs/dbraw/zinc/21/84/73/563218473.db2.gz IFJZMPPPEWOHQC-WFASDCNBSA-N 1 0 382.302 2.802 20 0 GFADRO CCOC[C@H]1CC[N@H+](Cc2cc(Br)ccc2O[C@H](C)C(=O)NC)C1 ZINC000294864513 563219189 /nfs/dbraw/zinc/21/91/89/563219189.db2.gz PQYGLFKYVFZQCA-KGLIPLIRSA-N 1 0 399.329 2.821 20 0 GFADRO CC[NH+](CC)CCCCNC(=O)c1cccnc1-n1cc(Br)cn1 ZINC000294862327 563219491 /nfs/dbraw/zinc/21/94/91/563219491.db2.gz AUIIQWFVHXMHHH-UHFFFAOYSA-N 1 0 394.317 2.882 20 0 GFADRO COCCN(Cc1ccc(Br)s1)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000418567394 563220347 /nfs/dbraw/zinc/22/03/47/563220347.db2.gz GLAVNHIVCWZGRS-WCQYABFASA-N 1 0 390.347 2.667 20 0 GFADRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000418582885 563220694 /nfs/dbraw/zinc/22/06/94/563220694.db2.gz AMMNVLCCIZMYAY-WQVCFCJDSA-N 1 0 382.302 2.530 20 0 GFADRO C[NH+]1CCC(n2ccc(NC(=O)NCc3ccc(Br)cc3)n2)CC1 ZINC000369667404 563221168 /nfs/dbraw/zinc/22/11/68/563221168.db2.gz ZAHXBPLWUXYFBP-UHFFFAOYSA-N 1 0 392.301 3.234 20 0 GFADRO CC1(C)CCC[NH2+][C@H]1CNC(=O)N[C@@H](CO)c1ccc(Br)cc1 ZINC000418610995 563221329 /nfs/dbraw/zinc/22/13/29/563221329.db2.gz HCIGPOIKFUDDFZ-GJZGRUSLSA-N 1 0 384.318 2.560 20 0 GFADRO C[C@H]1C[C@@H](NC(=O)c2nn(C)cc2Br)CC[N@@H+]1Cc1ccccc1 ZINC000294914199 563221445 /nfs/dbraw/zinc/22/14/45/563221445.db2.gz KAUUKWDPTUIJIE-ZFWWWQNUSA-N 1 0 391.313 2.966 20 0 GFADRO O[C@@H](CN1CCC(O)(c2scnc2Br)CC1)CC(F)(F)F ZINC000369705407 563222167 /nfs/dbraw/zinc/22/21/67/563222167.db2.gz XPUABAMSGREHLK-MRVPVSSYSA-N 1 0 389.237 2.502 20 0 GFADRO COC[C@]1(CNC(=O)N(C)Cc2ccc(Br)cc2C)CCC[NH2+]1 ZINC000418654761 563222320 /nfs/dbraw/zinc/22/23/20/563222320.db2.gz MQLTUNKFJUNQJQ-QGZVFWFLSA-N 1 0 384.318 2.668 20 0 GFADRO C[C@@H](NC(=O)N1CCC(C(=O)Nc2ccccc2Br)CC1)[C@H](C)[NH3+] ZINC000418712943 563222903 /nfs/dbraw/zinc/22/29/03/563222903.db2.gz XOJSTFYDEKTMRS-NWDGAFQWSA-N 1 0 397.317 2.545 20 0 GFADRO C[C@@H](CCCC[NH3+])NC(=O)NCc1noc(-c2cccc(Br)c2)n1 ZINC000418697303 563222936 /nfs/dbraw/zinc/22/29/36/563222936.db2.gz NEOJCCYFWUJJHB-NSHDSACASA-N 1 0 396.289 2.816 20 0 GFADRO CC[C@H]([NH3+])CNC(=O)N1CCC[C@H]1c1ccc(I)cc1 ZINC000418712123 563222958 /nfs/dbraw/zinc/22/29/58/563222958.db2.gz WWVNQJKMEQXEGL-KBPBESRZSA-N 1 0 387.265 2.875 20 0 GFADRO [NH3+][C@H]1CCC[C@H](CNC(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)C1 ZINC000418718134 563223746 /nfs/dbraw/zinc/22/37/46/563223746.db2.gz JZIYWOJCJGWCLN-JSGCOSHPSA-N 1 0 386.327 2.738 20 0 GFADRO CC(C)(C)[NH2+]CCNC(=O)[C@@H]1CCCN(c2ccc(Br)cn2)C1 ZINC000369758503 563224368 /nfs/dbraw/zinc/22/43/68/563224368.db2.gz YLBFYAXMJLAQSJ-CYBMUJFWSA-N 1 0 383.334 2.565 20 0 GFADRO CS(=O)(=O)CCCCC[NH2+]Cc1ccc(I)cc1 ZINC000294979681 563224494 /nfs/dbraw/zinc/22/44/94/563224494.db2.gz GEGYYFUSTSUARD-UHFFFAOYSA-N 1 0 381.279 2.596 20 0 GFADRO CC(C)[C@](C)(NC(=O)NC[C@@H]1C[NH2+]CCN1C)c1ccc(Br)cc1 ZINC000418768319 563225178 /nfs/dbraw/zinc/22/51/78/563225178.db2.gz RPLATCOJMFMAKT-WMZOPIPTSA-N 1 0 397.361 2.523 20 0 GFADRO O=C(NCCNc1cccc(Br)c1)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000418804156 563225655 /nfs/dbraw/zinc/22/56/55/563225655.db2.gz WTCJEYICYQKCQT-HEHGZKQESA-N 1 0 381.318 2.548 20 0 GFADRO O=C(N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)N1CCN(Cc2ccc(Cl)s2)CC1 ZINC000418796485 563226040 /nfs/dbraw/zinc/22/60/40/563226040.db2.gz RHTFNDYNUAWFMM-RBSFLKMASA-N 1 0 382.961 2.617 20 0 GFADRO C[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2C[C@H]2c2ccc(Cl)cc2Cl)[C@@H]1C[NH3+] ZINC000418820049 563226437 /nfs/dbraw/zinc/22/64/37/563226437.db2.gz RQBWXGJLCUVTCZ-UCDYDWOKSA-N 1 0 384.307 2.551 20 0 GFADRO C[C@H](NC(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1ccc(Cl)cc1Cl ZINC000418842438 563227398 /nfs/dbraw/zinc/22/73/98/563227398.db2.gz ZZVASPJKQZTGDS-KZVDOYCCSA-N 1 0 384.307 2.675 20 0 GFADRO C[C@H](NC(=O)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1)c1cc(F)c(Cl)cc1Cl ZINC000418847934 563227483 /nfs/dbraw/zinc/22/74/83/563227483.db2.gz KFFWRYBRBUMBII-LPEHRKFASA-N 1 0 376.259 2.696 20 0 GFADRO CC(C)[C@@H](CNC(=O)C(=O)N[C@H](C)CC[NH3+])Cc1ccc(Cl)cc1Cl ZINC000418857371 563227912 /nfs/dbraw/zinc/22/79/12/563227912.db2.gz RPXGWGDMQPHIJM-TZMCWYRMSA-N 1 0 388.339 2.778 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N[C@@H](C)c2cc(F)c(Cl)cc2Cl)C1 ZINC000418851722 563228114 /nfs/dbraw/zinc/22/81/14/563228114.db2.gz QAGRWSRGKWRUHD-GARJFASQSA-N 1 0 390.286 2.896 20 0 GFADRO C[NH+](C)Cc1cc(CNC(=O)Cc2cc[nH]c(=O)c2Br)ccc1F ZINC000277866391 563229146 /nfs/dbraw/zinc/22/91/46/563229146.db2.gz BKADZCZHPCOUBK-UHFFFAOYSA-N 1 0 396.260 2.609 20 0 GFADRO C[C@@H]1CN(C(=O)C(=O)N[C@H]2C[C@H](c3ccc(Cl)c(Cl)c3)C2)[C@H](C)C[NH2+]1 ZINC000418896919 563229204 /nfs/dbraw/zinc/22/92/04/563229204.db2.gz WHHYJTBSFYWAHO-HBJVGIJOSA-N 1 0 384.307 2.564 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[N@@H+]1CC[C@@](C)(COC)C1 ZINC000295141945 563230925 /nfs/dbraw/zinc/23/09/25/563230925.db2.gz PYBMEIOLIDVPKF-SCLBCKFNSA-N 1 0 399.329 2.821 20 0 GFADRO CC(C)[C@H]([NH3+])CNC(=O)C(=O)N[C@H](c1ccc(Br)cc1)C1CCC1 ZINC000418949680 563231618 /nfs/dbraw/zinc/23/16/18/563231618.db2.gz RYIRIJCIFFGGDK-CVEARBPZSA-N 1 0 396.329 2.506 20 0 GFADRO OCCC[N@@H+]1CCC[C@@H]1CNc1nc(C(F)(F)F)c(Br)s1 ZINC000418959277 563231677 /nfs/dbraw/zinc/23/16/77/563231677.db2.gz ZCBHCBMFNIJYIA-MRVPVSSYSA-N 1 0 388.253 3.183 20 0 GFADRO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)C(=O)N[C@H]1CCc2c1ccc(Cl)c2Cl ZINC000419108253 563233811 /nfs/dbraw/zinc/23/38/11/563233811.db2.gz XJFXFSUHTIDTFZ-VQISRLSMSA-N 1 0 384.307 2.731 20 0 GFADRO COc1cc(Cl)c(Cl)cc1C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000370156259 563235068 /nfs/dbraw/zinc/23/50/68/563235068.db2.gz OGUOXDUIPHMNCE-ZDUSSCGKSA-N 1 0 386.323 2.854 20 0 GFADRO [NH3+][C@@H](CNC(=O)[C@@H]1CCCN1C(=O)c1ccc(Cl)s1)c1ccccc1 ZINC000370193401 563236513 /nfs/dbraw/zinc/23/65/13/563236513.db2.gz JYYZJQCWBCEPHK-KBPBESRZSA-N 1 0 377.897 2.822 20 0 GFADRO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1Cc1nnc(-c2c(Cl)cccc2Cl)o1 ZINC000419328346 563236923 /nfs/dbraw/zinc/23/69/23/563236923.db2.gz OOQOFLOGCFLNMA-RYUDHWBXSA-N 1 0 385.295 2.930 20 0 GFADRO C[NH+](C)[C@H]1CCN(c2ccc(NC(=O)c3ccoc3Br)nc2)C1 ZINC000278094344 563240481 /nfs/dbraw/zinc/24/04/81/563240481.db2.gz QKGGEDHWEXEWBV-LBPRGKRZSA-N 1 0 379.258 2.830 20 0 GFADRO O=C(Nc1ccccc1Br)N1CCC[C@H]1C[N@H+]1CCC[C@H]1CO ZINC000370353491 563241071 /nfs/dbraw/zinc/24/10/71/563241071.db2.gz OGHBAPFUIGMZQP-KBPBESRZSA-N 1 0 382.302 2.902 20 0 GFADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)Nc3ccc([S@@](=O)C(F)(F)F)cc3)[C@@H]2C1 ZINC000370366531 563241618 /nfs/dbraw/zinc/24/16/18/563241618.db2.gz PZNVRSVBMVMBJU-DDGBTSPSSA-N 1 0 375.416 2.872 20 0 GFADRO Cc1cc(Br)ccc1C(=O)N1CCC([NH2+]CC2(C)COC2)CC1 ZINC000370380808 563241726 /nfs/dbraw/zinc/24/17/26/563241726.db2.gz KURULJCQLLNKEP-UHFFFAOYSA-N 1 0 381.314 2.988 20 0 GFADRO C[N@H+]1CC=C(CNC(=O)[C@H]2CCN(c3cc(Cl)cc(Cl)c3)C2=O)CC1 ZINC000370359643 563242010 /nfs/dbraw/zinc/24/20/10/563242010.db2.gz OWFARZRZEYEBTF-MRXNPFEDSA-N 1 0 382.291 2.724 20 0 GFADRO NC(=O)[C@@H](NCC1CC[NH+](C2CC2)CC1)c1ccc(Br)cc1F ZINC000278135897 563242244 /nfs/dbraw/zinc/24/22/44/563242244.db2.gz VSFWUGVSHIIFMH-INIZCTEOSA-N 1 0 384.293 2.579 20 0 GFADRO CCC(CC)(CNC(=O)C(=O)NCC1C[NH2+]C1)c1ccc(Cl)c(Cl)c1 ZINC000419643457 563244851 /nfs/dbraw/zinc/24/48/51/563244851.db2.gz GUBHVUJGULNAKQ-UHFFFAOYSA-N 1 0 386.323 2.503 20 0 GFADRO COc1nccc(C[NH2+]CCc2cn3cc(Br)cc(C)c3n2)n1 ZINC000295401237 563245859 /nfs/dbraw/zinc/24/58/59/563245859.db2.gz MDFBXDAEQBWLLX-UHFFFAOYSA-N 1 0 376.258 2.536 20 0 GFADRO Cn1cc([C@H](NC(=O)NC[C@H](c2ccsc2)[NH+](C)C)C(F)(F)F)cn1 ZINC000278233054 563245980 /nfs/dbraw/zinc/24/59/80/563245980.db2.gz FRRSZVZPHHTRDQ-OLZOCXBDSA-N 1 0 375.420 2.687 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)C2(c3ccc(Br)cc3)CCOCC2)CC[NH2+]1 ZINC000278233354 563246176 /nfs/dbraw/zinc/24/61/76/563246176.db2.gz KLAHFSYTWZVABF-CZUORRHYSA-N 1 0 381.314 2.754 20 0 GFADRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N[C@H](C)c1ccc(Br)s1 ZINC000419700867 563246823 /nfs/dbraw/zinc/24/68/23/563246823.db2.gz CQYMZFAKSGUWTB-MNOVXSKESA-N 1 0 390.347 2.520 20 0 GFADRO Cc1c(CNC(=O)C(=O)N[C@@H]2CCC[C@H]2C[NH3+])sc2ccc(Cl)cc12 ZINC000419708195 563247210 /nfs/dbraw/zinc/24/72/10/563247210.db2.gz LRWJAJLRRYWPTH-SMDDNHRTSA-N 1 0 379.913 2.723 20 0 GFADRO C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000295482421 563249386 /nfs/dbraw/zinc/24/93/86/563249386.db2.gz YUFCFZLRMKSTIL-VHSXEESVSA-N 1 0 385.251 2.876 20 0 GFADRO CC[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000419755987 563249568 /nfs/dbraw/zinc/24/95/68/563249568.db2.gz RNYGGPUOGQYPTK-CQSZACIVSA-N 1 0 388.339 2.874 20 0 GFADRO CC[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)N1CCC[C@H]1C[NH2+]C ZINC000419751864 563249798 /nfs/dbraw/zinc/24/97/98/563249798.db2.gz LEZBPUDHOOGBKO-CABCVRRESA-N 1 0 386.323 2.641 20 0 GFADRO O=C(NC[C@@H]1CCC[NH2+]C1)C(=O)N(Cc1ccc(Cl)c(Cl)c1)C1CC1 ZINC000419873994 563252468 /nfs/dbraw/zinc/25/24/68/563252468.db2.gz ZJHBLVODWBSQMJ-CYBMUJFWSA-N 1 0 384.307 2.600 20 0 GFADRO C[C@H]1c2cc(Cl)cc(Cl)c2CCN1C(=O)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000419862874 563252599 /nfs/dbraw/zinc/25/25/99/563252599.db2.gz QYZDYVJWONHCAT-NWDGAFQWSA-N 1 0 384.307 2.555 20 0 GFADRO C[C@H]1c2cc(Cl)c(Cl)cc2CCN1C(=O)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000419856976 563252642 /nfs/dbraw/zinc/25/26/42/563252642.db2.gz JQNPAQFFFYXNSE-RYUDHWBXSA-N 1 0 384.307 2.555 20 0 GFADRO C[C@H]1c2cc(Cl)cc(Cl)c2CCN1C(=O)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000419920693 563253263 /nfs/dbraw/zinc/25/32/63/563253263.db2.gz XABQJVMIUGCDON-NWDGAFQWSA-N 1 0 384.307 2.555 20 0 GFADRO O=C(NC[C@H]1CCC[C@H]1[NH+]1CCOCC1)c1ccc(Br)cc1F ZINC000370758242 563253927 /nfs/dbraw/zinc/25/39/27/563253927.db2.gz JXUHYQNFBSODGQ-MLGOLLRUSA-N 1 0 385.277 2.819 20 0 GFADRO O=C(NC[C@@H]1CCC[C@H]1[NH+]1CCOCC1)c1ccc(Br)cc1F ZINC000370758240 563254199 /nfs/dbraw/zinc/25/41/99/563254199.db2.gz JXUHYQNFBSODGQ-BLLLJJGKSA-N 1 0 385.277 2.819 20 0 GFADRO COc1cc(Br)ccc1C(=O)NC[C@H]1CCC[C@@H]1[NH+]1CCOCC1 ZINC000370762481 563254801 /nfs/dbraw/zinc/25/48/01/563254801.db2.gz RSOVBTKUVGLUIL-CJNGLKHVSA-N 1 0 397.313 2.688 20 0 GFADRO O=C(c1cc(F)ccc1I)N(C1CC1)C1CC[NH2+]CC1 ZINC000370790209 563255444 /nfs/dbraw/zinc/25/54/44/563255444.db2.gz ZLOGXQOHPWYUTP-UHFFFAOYSA-N 1 0 388.224 2.787 20 0 GFADRO C[NH+](C)CC[C@](C)(O)CNC(=O)c1cc(Cl)c(Br)cc1F ZINC000420002509 563256034 /nfs/dbraw/zinc/25/60/34/563256034.db2.gz SXVNNQIIWDYILG-AWEZNQCLSA-N 1 0 381.673 2.674 20 0 GFADRO O=C(Cc1ccccc1I)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000370805813 563256311 /nfs/dbraw/zinc/25/63/11/563256311.db2.gz JQNOESFYZBFDTB-KGLIPLIRSA-N 1 0 384.261 2.577 20 0 GFADRO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)Cc1cc[nH]c(=O)c1Br ZINC000278477365 563257791 /nfs/dbraw/zinc/25/77/91/563257791.db2.gz IZNBTQHJSPNVKA-CYBMUJFWSA-N 1 0 392.297 2.729 20 0 GFADRO CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000420099294 563257896 /nfs/dbraw/zinc/25/78/96/563257896.db2.gz KCIDNHWNGSAFFZ-SFHVURJKSA-N 1 0 386.323 2.848 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2S(=O)(=O)c1cccc(Cl)c1Cl ZINC000370848321 563258174 /nfs/dbraw/zinc/25/81/74/563258174.db2.gz YMJKKMPSTFHQBR-XBFCOCLRSA-N 1 0 393.336 2.866 20 0 GFADRO C[NH2+][C@H](C)CNC(=O)C(=O)N1CCC(=Cc2cc(Cl)ccc2Cl)CC1 ZINC000420134976 563259063 /nfs/dbraw/zinc/25/90/63/563259063.db2.gz DPSGBIMEBTUFSE-GFCCVEGCSA-N 1 0 384.307 2.723 20 0 GFADRO [NH3+]C[C@@H]1CC[C@H](NC(=O)C(=O)N(Cc2ccc(Cl)c(Cl)c2)C2CC2)C1 ZINC000420185437 563259628 /nfs/dbraw/zinc/25/96/28/563259628.db2.gz BSCCZBKNJUMASA-YPMHNXCESA-N 1 0 384.307 2.728 20 0 GFADRO C[C@H](N[C@@H]1[C@H](C)CC[NH2+][C@@H]1C)C(=O)N(C)Cc1ccc(Br)cc1 ZINC000420374705 563262809 /nfs/dbraw/zinc/26/28/09/563262809.db2.gz SFBUAOUIIKFHSJ-VWPFQQQWSA-N 1 0 382.346 2.772 20 0 GFADRO O=S(=O)(Cc1ccc(Cl)cc1Br)NCCC[NH2+]C1CC1 ZINC000420445301 563263834 /nfs/dbraw/zinc/26/38/34/563263834.db2.gz DYZLYHABQDBYDW-UHFFFAOYSA-N 1 0 381.723 2.664 20 0 GFADRO Cc1cc(Br)cc(S(=O)(=O)N2CCCC[C@H]2[C@H]2CC[NH2+]C2)c1 ZINC000420463033 563264489 /nfs/dbraw/zinc/26/44/89/563264489.db2.gz NRAPYLPOVHVRMU-BBRMVZONSA-N 1 0 387.343 2.910 20 0 GFADRO C[C@@H]1CCN(S(=O)(=O)c2cc(Cl)ccc2Br)C[C@H]1C[NH3+] ZINC000420485388 563265920 /nfs/dbraw/zinc/26/59/20/563265920.db2.gz ZYNLQQCWNKEGBA-NXEZZACHSA-N 1 0 381.723 2.708 20 0 GFADRO C[N@@H+]1CC[C@H](NC(=O)Cc2cc[nH]c(=O)c2Br)[C@H]1c1ccccc1 ZINC000278690601 563266841 /nfs/dbraw/zinc/26/68/41/563266841.db2.gz PRUPUMIYDGKVGS-WMLDXEAASA-N 1 0 390.281 2.654 20 0 GFADRO COCCC[C@@H]([NH2+]CCN1CCC(O)CC1)c1ccc(Br)cc1 ZINC000295881600 563266898 /nfs/dbraw/zinc/26/68/98/563266898.db2.gz HAPJBBGXZNGFPT-GOSISDBHSA-N 1 0 385.346 2.963 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2C(=O)COc1ccccc1Br ZINC000371242920 563269786 /nfs/dbraw/zinc/26/97/86/563269786.db2.gz QMDQIOBDIPOQCB-FRFSOERESA-N 1 0 397.313 2.538 20 0 GFADRO C[C@@H](CNS(=O)(=O)c1cc(F)ccc1OC(F)F)[NH+]1CCC(C)CC1 ZINC000420661060 563270902 /nfs/dbraw/zinc/27/09/02/563270902.db2.gz KZNUUASFSAMSII-LBPRGKRZSA-N 1 0 380.432 2.826 20 0 GFADRO C[N@@H+]1CC[C@@H]2CCN(c3ncc(Cn4cc(Br)cn4)s3)[C@@H]2C1 ZINC000278810421 563271340 /nfs/dbraw/zinc/27/13/40/563271340.db2.gz SCOUSRUWGZBJLN-BXUZGUMPSA-N 1 0 382.331 2.681 20 0 GFADRO O=S(=O)(c1cc(F)ccc1OC(F)F)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000420669893 563271611 /nfs/dbraw/zinc/27/16/11/563271611.db2.gz GWIOWQIFUDZMAC-GFCCVEGCSA-N 1 0 378.416 2.534 20 0 GFADRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1ccc(I)cc1F ZINC000296026264 563271631 /nfs/dbraw/zinc/27/16/31/563271631.db2.gz ZMFBQVWWPXOIMK-QMTHXVAHSA-N 1 0 390.240 2.843 20 0 GFADRO CC[C@H](CS(=O)(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1)OC ZINC000420679854 563272825 /nfs/dbraw/zinc/27/28/25/563272825.db2.gz POXMENGLJILFEJ-QGZVFWFLSA-N 1 0 388.961 2.896 20 0 GFADRO C[C@]1(C[C@H]2CCC[N@@H+]2Cc2cccc(Br)c2F)NC(=O)NC1=O ZINC000296054701 563273096 /nfs/dbraw/zinc/27/30/96/563273096.db2.gz OXJLSCKQDVSNKW-BDJLRTHQSA-N 1 0 384.249 2.541 20 0 GFADRO CNS(=O)(=O)c1ccc(NC[C@H]2CC[N@H+](C)[C@H]2c2cccs2)c(F)c1 ZINC000371357177 563274291 /nfs/dbraw/zinc/27/42/91/563274291.db2.gz HHIFGPLGTLBUBJ-SJKOYZFVSA-N 1 0 383.514 2.900 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]CC(C)(C)COC ZINC000296133609 563275837 /nfs/dbraw/zinc/27/58/37/563275837.db2.gz UQIXTYRKMPIWBX-LBPRGKRZSA-N 1 0 387.318 2.725 20 0 GFADRO C[NH+]1CCC(C)(CNC(=O)[C@H]2CCCN2C(=O)c2ccc(Cl)s2)CC1 ZINC000371575954 563281387 /nfs/dbraw/zinc/28/13/87/563281387.db2.gz SHCJHRSWCMXGOY-CYBMUJFWSA-N 1 0 383.945 2.854 20 0 GFADRO CC[NH+]1CCN(CCC(=O)Nc2cc(-c3ccc(Cl)s3)nn2C)CC1 ZINC000279137170 563285268 /nfs/dbraw/zinc/28/52/68/563285268.db2.gz YUZYGZLAYNBUGO-UHFFFAOYSA-N 1 0 381.933 2.768 20 0 GFADRO C[C@H](CNC(=O)N(C)C[C@@H]1CCC[N@@H+]1C)Oc1cccc(Br)c1 ZINC000420787354 563285374 /nfs/dbraw/zinc/28/53/74/563285374.db2.gz CDQJHOYDBXQXRM-HIFRSBDPSA-N 1 0 384.318 2.952 20 0 GFADRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)N[C@H]1CCN(c2ccccc2Br)C1 ZINC000420787153 563285520 /nfs/dbraw/zinc/28/55/20/563285520.db2.gz JLYFIEPJXPISIJ-LSDHHAIUSA-N 1 0 395.345 2.763 20 0 GFADRO C[C@@H]1C[C@@H](N(C)C(=O)[C@H]2CCCN2C(=O)c2ccc(Cl)s2)CC[N@@H+]1C ZINC000371764167 563286715 /nfs/dbraw/zinc/28/67/15/563286715.db2.gz FAMNZJFBBQPZSZ-HZSPNIEDSA-N 1 0 383.945 2.947 20 0 GFADRO Brc1cnn(Cc2noc([C@H]3CCCN(c4ccccn4)C3)n2)c1 ZINC000371939852 563291793 /nfs/dbraw/zinc/29/17/93/563291793.db2.gz UTNSJHICXGAMSI-LBPRGKRZSA-N 1 0 389.257 2.856 20 0 GFADRO CN(Cc1cc(Br)cs1)C(=O)C[N@@H+]1CCC[C@@H](CCO)CC1 ZINC000421007644 563292887 /nfs/dbraw/zinc/29/28/87/563292887.db2.gz COYVOELLVIEPPL-CYBMUJFWSA-N 1 0 389.359 2.954 20 0 GFADRO CN(Cc1noc(Cc2ccc(Br)cc2)n1)C[C@H]1CCC[N@@H+]1C ZINC000420999846 563292966 /nfs/dbraw/zinc/29/29/66/563292966.db2.gz JUUFZCKGVBUKTM-OAHLLOKOSA-N 1 0 379.302 2.949 20 0 GFADRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1cc(Cl)c(F)cc1Br ZINC000296592663 563293841 /nfs/dbraw/zinc/29/38/41/563293841.db2.gz SDXSNUXNFPYYMX-SNVBAGLBSA-N 1 0 393.684 2.818 20 0 GFADRO C[NH+](C)C[C@H]1CN(CC(=O)Nc2c(Cl)cccc2C(F)(F)F)CCO1 ZINC000372087106 563295426 /nfs/dbraw/zinc/29/54/26/563295426.db2.gz ZCOZZIFMFBAKSE-NSHDSACASA-N 1 0 379.810 2.560 20 0 GFADRO COC[C@]1(C)CC[N@H+](CC(=O)Nc2cccc(I)c2)C1 ZINC000296642627 563295494 /nfs/dbraw/zinc/29/54/94/563295494.db2.gz IJVXQBAUASQEAS-OAHLLOKOSA-N 1 0 388.249 2.588 20 0 GFADRO CC[NH+](CC)Cc1cccc(CNS(=O)(=O)CCc2scnc2C)c1 ZINC000296673702 563296459 /nfs/dbraw/zinc/29/64/59/563296459.db2.gz HFSOXXTVNQTBBG-UHFFFAOYSA-N 1 0 381.567 2.955 20 0 GFADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1nnc2ccc(Br)cn21 ZINC000296693692 563296831 /nfs/dbraw/zinc/29/68/31/563296831.db2.gz ARDKZMKONBVUQN-OLZOCXBDSA-N 1 0 393.289 2.582 20 0 GFADRO COC(=O)c1cc(Br)ccc1NC(=O)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000372236535 563299943 /nfs/dbraw/zinc/29/99/43/563299943.db2.gz MLEDOTNOKSNWHB-ZDUSSCGKSA-N 1 0 396.285 2.938 20 0 GFADRO C[N@@H+]1CC[C@@H](CNS(=O)(=O)c2cc(F)cc(Cl)c2)[C@@H]1c1cccnc1 ZINC000372430213 563306470 /nfs/dbraw/zinc/30/64/70/563306470.db2.gz DMQJHKBKSBEGKB-GUYCJALGSA-N 1 0 383.876 2.845 20 0 GFADRO C[NH+]1CCC2(CCCN2C(=O)NCCc2nc(C(F)(F)F)cs2)CC1 ZINC000372442333 563307157 /nfs/dbraw/zinc/30/71/57/563307157.db2.gz MNYDVMKLFYCYTQ-UHFFFAOYSA-N 1 0 376.448 2.974 20 0 GFADRO CO[C@H](c1ccccc1)[C@H](C)[NH2+]CC1CCN(S(=O)(=O)C(F)F)CC1 ZINC000279722485 563307732 /nfs/dbraw/zinc/30/77/32/563307732.db2.gz MMNAJIBQMJACMC-BBRMVZONSA-N 1 0 376.469 2.617 20 0 GFADRO NC(=O)CC1(C[NH2+]C2CCN(Cc3ccccc3Br)CC2)CC1 ZINC000421349818 563307852 /nfs/dbraw/zinc/30/78/52/563307852.db2.gz JPEABPDSXIWXBC-UHFFFAOYSA-N 1 0 380.330 2.659 20 0 GFADRO CCN(Cc1cccc(Br)c1)C(=O)NCC[N@@H+]1CCCOCC1 ZINC000297018486 563312817 /nfs/dbraw/zinc/31/28/17/563312817.db2.gz JEPHPEYSHKXKSM-UHFFFAOYSA-N 1 0 384.318 2.703 20 0 GFADRO Cc1ccc(CC(=O)NC[C@H]2CCC[C@H]2[NH+]2CCOCC2)cc1Br ZINC000372673544 563314048 /nfs/dbraw/zinc/31/40/48/563314048.db2.gz IWSWXEUAOVOBAN-SJLPKXTDSA-N 1 0 395.341 2.917 20 0 GFADRO CN(C[C@H](O)c1ccccc1Br)C(=O)C1CC[NH+](C2CC2)CC1 ZINC000297132916 563316619 /nfs/dbraw/zinc/31/66/19/563316619.db2.gz KPULJXZTWGWWBU-KRWDZBQOSA-N 1 0 381.314 2.815 20 0 GFADRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)c1cc(F)ccc1I ZINC000421704910 563319661 /nfs/dbraw/zinc/31/96/61/563319661.db2.gz QCBFPLVZHGYGCH-LLVKDONJSA-N 1 0 376.213 2.597 20 0 GFADRO CC(=O)c1cc(Br)ccc1OCC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000297204774 563319804 /nfs/dbraw/zinc/31/98/04/563319804.db2.gz YQPFVRUQWQQAFZ-GOOCMWNKSA-N 1 0 395.297 2.772 20 0 GFADRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)c1cc(=O)[nH]c2c(Br)cccc12 ZINC000421710241 563319929 /nfs/dbraw/zinc/31/99/29/563319929.db2.gz JNXRHNVKEGPBMB-LLVKDONJSA-N 1 0 378.270 2.869 20 0 GFADRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)Nc1nc2cc(Br)ccn2n1 ZINC000297379763 563325643 /nfs/dbraw/zinc/32/56/43/563325643.db2.gz VOCWAFIOEOCMFQ-YPMHNXCESA-N 1 0 393.289 2.582 20 0 GFADRO C[C@H]1CCN(C(=O)NCC2CC[NH+](Cc3cccs3)CC2)CC[S@]1=O ZINC000297389044 563325796 /nfs/dbraw/zinc/32/57/96/563325796.db2.gz WUYZUDHMOPNOGY-ODCWNRFASA-N 1 0 383.583 2.513 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH+]1CC(CC(N)=O)C1 ZINC000297484903 563326889 /nfs/dbraw/zinc/32/68/89/563326889.db2.gz UMJNOUIWLXAMGG-UHFFFAOYSA-N 1 0 377.286 2.559 20 0 GFADRO COc1ccc2c(c1)[C@H]([NH3+])CCN2S(=O)(=O)c1ccc(OC)c(Cl)c1 ZINC000373177225 563331432 /nfs/dbraw/zinc/33/14/32/563331432.db2.gz DEUSTZJSFOQZOA-OAHLLOKOSA-N 1 0 382.869 2.956 20 0 GFADRO C[C@H](c1cccc(Br)c1)[NH+]1CCC(n2cnc(C(N)=O)c2N)CC1 ZINC000297650482 563332255 /nfs/dbraw/zinc/33/22/55/563332255.db2.gz NGLDAMGPESLCEN-LLVKDONJSA-N 1 0 392.301 2.725 20 0 GFADRO C[NH+]1CCC(n2ccc(NC(=O)Cc3ccccc3Br)n2)CC1 ZINC000373230946 563332375 /nfs/dbraw/zinc/33/23/75/563332375.db2.gz OHPJJLPOTUTGIG-UHFFFAOYSA-N 1 0 377.286 3.094 20 0 GFADRO C[C@@H]1OCC[C@@]12C[N@H+](CCC(=O)Nc1cccc(Br)c1)CCO2 ZINC000280375605 563334382 /nfs/dbraw/zinc/33/43/82/563334382.db2.gz JPPWITAUENFNHS-SUMWQHHRSA-N 1 0 383.286 2.658 20 0 GFADRO C[N@@H+]1CCC[C@@H](CCNC(=O)C(=O)NCCc2cc(Cl)cc(Cl)c2)C1 ZINC000422267683 563334969 /nfs/dbraw/zinc/33/49/69/563334969.db2.gz IYVHRCPVSVHMIC-ZDUSSCGKSA-N 1 0 386.323 2.500 20 0 GFADRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NCCc2cc(Cl)cc(Cl)c2)C1 ZINC000422269241 563335272 /nfs/dbraw/zinc/33/52/72/563335272.db2.gz LQDLPBJOGIMRPO-INIZCTEOSA-N 1 0 386.323 2.593 20 0 GFADRO Cn1ccc(N2CC[C@@H]([NH2+]C3CC(c4ccc(Br)cc4)C3)C2=O)n1 ZINC000373364510 563335941 /nfs/dbraw/zinc/33/59/41/563335941.db2.gz JXROJRASZVQGMG-AVVWSFFYSA-N 1 0 389.297 2.824 20 0 GFADRO C[NH+](C)C/C=C/C(=O)N[C@H](CO)c1ccc(Br)cc1C(F)(F)F ZINC000280457512 563338828 /nfs/dbraw/zinc/33/88/28/563338828.db2.gz IGQFJFUIMUZIEQ-ITDFMYJTSA-N 1 0 395.219 2.735 20 0 GFADRO CN(Cc1ccc(Cl)s1)C(=O)C(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000297936636 563340230 /nfs/dbraw/zinc/34/02/30/563340230.db2.gz VDFRXCJWSDCDOL-CQSZACIVSA-N 1 0 383.945 2.550 20 0 GFADRO O=S(=O)(c1cccc(Cl)c1Br)N1CCC2(CC[NH2+]2)CC1 ZINC000422552632 563342796 /nfs/dbraw/zinc/34/27/96/563342796.db2.gz HWJAJBFKOIHYOU-UHFFFAOYSA-N 1 0 379.707 2.619 20 0 GFADRO COCC[NH2+]CCNC(=O)N1CCCC[C@H]1Cc1cccc(Br)c1 ZINC000422606393 563344730 /nfs/dbraw/zinc/34/47/30/563344730.db2.gz IOGKSMCJYMLXCT-KRWDZBQOSA-N 1 0 398.345 2.792 20 0 GFADRO CN(Cc1c(Cl)cccc1Cl)C(=O)C(=O)NC1CCC([NH+](C)C)CC1 ZINC000422625951 563345299 /nfs/dbraw/zinc/34/52/99/563345299.db2.gz IJOCIHSZRCVNEN-UHFFFAOYSA-N 1 0 386.323 2.941 20 0 GFADRO O=C(Nc1cc(F)ccc1Br)C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000373728133 563348591 /nfs/dbraw/zinc/34/85/91/563348591.db2.gz JSSHRTZZZBLSBI-UHFFFAOYSA-N 1 0 398.276 2.660 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)[C@H]1C[C@H](C)CC[NH2+]1 ZINC000422930297 563350650 /nfs/dbraw/zinc/35/06/50/563350650.db2.gz SUECRXBNNGDIJK-IAQYHMDHSA-N 1 0 382.302 2.543 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)[C@@H]1C[C@H](C)CC[NH2+]1 ZINC000422930296 563350774 /nfs/dbraw/zinc/35/07/74/563350774.db2.gz SUECRXBNNGDIJK-ABAIWWIYSA-N 1 0 382.302 2.543 20 0 GFADRO CN(Cc1ccc(Br)cc1)C(=O)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000422929120 563350832 /nfs/dbraw/zinc/35/08/32/563350832.db2.gz OHZBQOCRZOKIJO-MRXNPFEDSA-N 1 0 377.286 2.842 20 0 GFADRO CCOC(=O)[C@@H]1NCC[C@@H]1[NH2+]C[C@@H](C)Sc1ccc(Br)cc1 ZINC000422959120 563351839 /nfs/dbraw/zinc/35/18/39/563351839.db2.gz QTFQCFGSOUDNQO-BYCMXARLSA-N 1 0 387.343 2.813 20 0 GFADRO [NH3+][C@@H]1C[C@@H](NC[C@@H](O)COc2ccccc2Br)c2ccccc21 ZINC000422938455 563351908 /nfs/dbraw/zinc/35/19/08/563351908.db2.gz KXCYQCRXUXPIRL-CSMYWGQOSA-N 1 0 377.282 2.923 20 0 GFADRO CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000423013227 563353264 /nfs/dbraw/zinc/35/32/64/563353264.db2.gz MHOGNBZEGHEYRU-ZIAGYGMSSA-N 1 0 383.945 2.598 20 0 GFADRO COC(C)(C)C[C@@H](C)[NH2+][C@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000280768336 563353497 /nfs/dbraw/zinc/35/34/97/563353497.db2.gz REQPNJWYNPUMRP-GHMZBOCLSA-N 1 0 393.347 2.951 20 0 GFADRO C[C@@H]([NH2+]CC1CCSCC1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000280792398 563354573 /nfs/dbraw/zinc/35/45/73/563354573.db2.gz UAMYHLPIWUKELN-SNVBAGLBSA-N 1 0 393.372 2.890 20 0 GFADRO C[C@@H](C[C@@H]1COCC[NH2+]1)NCc1ccc(Cl)cc1I ZINC000423091430 563354988 /nfs/dbraw/zinc/35/49/88/563354988.db2.gz XCBFILSLRKSACV-GXFFZTMASA-N 1 0 394.684 2.801 20 0 GFADRO C[NH2+]C1CCN(C(=O)C(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)CC1 ZINC000423096513 563355655 /nfs/dbraw/zinc/35/56/55/563355655.db2.gz PCPJFAACVYSTJF-INIZCTEOSA-N 1 0 384.307 2.867 20 0 GFADRO CC(C)[C@H](C(=O)Nc1ncn(Cc2cccc(Br)c2)n1)[C@H](C)[NH3+] ZINC000423106730 563355696 /nfs/dbraw/zinc/35/56/96/563355696.db2.gz OYAGRNPIBDIALU-FZMZJTMJSA-N 1 0 380.290 2.647 20 0 GFADRO CCC(CC)[C@H](O)C[NH2+][C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000280823739 563356006 /nfs/dbraw/zinc/35/60/06/563356006.db2.gz WXGFLUDZGQDYPI-IINYFYTJSA-N 1 0 393.347 2.544 20 0 GFADRO Brc1cccc2[nH]cc(CC[NH2+][C@@H](C3CC3)[C@H]3CNCCO3)c21 ZINC000423121186 563356330 /nfs/dbraw/zinc/35/63/30/563356330.db2.gz IDZZYZGWSOLTAF-AEFFLSMTSA-N 1 0 378.314 2.830 20 0 GFADRO O=C(Cc1cc2c(cc1Br)OCCO2)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000298472223 563356729 /nfs/dbraw/zinc/35/67/29/563356729.db2.gz BQWCHTVXQNTTSA-GJZGRUSLSA-N 1 0 395.297 2.506 20 0 GFADRO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NCCc1cccc(Br)c1 ZINC000298502916 563357281 /nfs/dbraw/zinc/35/72/81/563357281.db2.gz VMVWHZFIGAWWCG-KRWDZBQOSA-N 1 0 383.330 2.901 20 0 GFADRO CC[C@@H](CNC(=O)COC1CC[NH2+]CC1)Cc1cccc(Br)c1 ZINC000423216644 563358527 /nfs/dbraw/zinc/35/85/27/563358527.db2.gz SBILBKTUHMTYJJ-CQSZACIVSA-N 1 0 383.330 2.903 20 0 GFADRO COC[C@]1(C(=O)NC[C@@H](C)Sc2ccc(Br)cc2)CC[NH2+]C1 ZINC000423177423 563358536 /nfs/dbraw/zinc/35/85/36/563358536.db2.gz DWWPECVEGJDWCY-WBMJQRKESA-N 1 0 387.343 2.672 20 0 GFADRO C[C@@H](NCC1([NH3+])CCCCC1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000423174839 563358609 /nfs/dbraw/zinc/35/86/09/563358609.db2.gz CFDRPAIVAZNZKT-SNVBAGLBSA-N 1 0 380.341 2.953 20 0 GFADRO CC(C)[C@@H](C(=O)N1CCN(C(=O)c2cc3sccc3s2)CC1)[C@@H](C)[NH3+] ZINC000423292487 563359519 /nfs/dbraw/zinc/35/95/19/563359519.db2.gz NEPUYPACYGKCQU-MLGOLLRUSA-N 1 0 379.551 2.867 20 0 GFADRO [NH3+]CCCCn1cc(C(=O)N[C@@H](c2ccc(Cl)cc2)C(F)(F)F)nn1 ZINC000423231825 563359604 /nfs/dbraw/zinc/35/96/04/563359604.db2.gz MCUDSSVTZBGHBU-ZDUSSCGKSA-N 1 0 375.782 2.704 20 0 GFADRO CCn1ccnc1[C@H](NCC[C@H](C)[NH3+])c1ccc(I)cc1 ZINC000423226946 563359697 /nfs/dbraw/zinc/35/96/97/563359697.db2.gz SWQQFRBLWZNBMG-SWLSCSKDSA-N 1 0 398.292 2.924 20 0 GFADRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccccc2CS(=O)(=O)NC(C)C)[C@H]1SC ZINC000298554038 563359723 /nfs/dbraw/zinc/35/97/23/563359723.db2.gz VDJZZTKCRSCTTE-RCCFBDPRSA-N 1 0 386.583 2.513 20 0 GFADRO COC(=O)C[C@H]([NH3+])C(=O)N[C@H](C)c1nc(-c2ccc(Cl)cc2)c(C)s1 ZINC000423255095 563359753 /nfs/dbraw/zinc/35/97/53/563359753.db2.gz ASUZNKMJGFWDNT-RNCFNFMXSA-N 1 0 381.885 2.840 20 0 GFADRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(CS(=O)(=O)NC(C)C)cc2)[C@@H]1SC ZINC000298569643 563360248 /nfs/dbraw/zinc/36/02/48/563360248.db2.gz WWEKZIWSESJQES-KSZLIROESA-N 1 0 386.583 2.513 20 0 GFADRO NC(=O)c1cnn2c1C[C@@H](C[NH2+][C@H]1CCc3cc(Br)ccc31)CC2 ZINC000280913859 563360959 /nfs/dbraw/zinc/36/09/59/563360959.db2.gz GSNYEQALFMYIFE-ZBEGNZNMSA-N 1 0 389.297 2.584 20 0 GFADRO Brc1cccc([C@H](NC[C@@H]2C[NH2+]CCCO2)C2CCOCC2)c1 ZINC000423489210 563361111 /nfs/dbraw/zinc/36/11/11/563361111.db2.gz FOQRAWICUCPNNE-ZWKOTPCHSA-N 1 0 383.330 2.885 20 0 GFADRO C[C@H](Oc1ccc(F)cc1Br)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000298595666 563361415 /nfs/dbraw/zinc/36/14/15/563361415.db2.gz ZHCGIUGSWKPKKB-RYUDHWBXSA-N 1 0 385.277 2.956 20 0 GFADRO CN(Cc1ccc(Cl)s1)C(=O)C(=O)N1CCCC[C@H]1[C@H]1CCC[NH2+]C1 ZINC000423728374 563363537 /nfs/dbraw/zinc/36/35/37/563363537.db2.gz LVHALTBIHRFROQ-ZFWWWQNUSA-N 1 0 383.945 2.741 20 0 GFADRO O=C(Nc1ccccc1OCCN1CC[NH2+]CC1)c1occc1Br ZINC000423993210 563366214 /nfs/dbraw/zinc/36/62/14/563366214.db2.gz AFAJUPYSZMTMFB-UHFFFAOYSA-N 1 0 394.269 2.578 20 0 GFADRO CC(C)C[C@@H](Cc1cccc(Br)c1)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000423990621 563366275 /nfs/dbraw/zinc/36/62/75/563366275.db2.gz KNBQTFLJQVTLDS-RDJZCZTQSA-N 1 0 383.330 2.759 20 0 GFADRO C[C@@H]1CCN(C(=O)c2ncc(Br)cc2Br)C[C@H]1C[NH3+] ZINC000423995234 563366322 /nfs/dbraw/zinc/36/63/22/563366322.db2.gz JESMBTARXGECNF-RKDXNWHRSA-N 1 0 391.107 2.664 20 0 GFADRO CCOc1c(Br)cc(C(=O)N2CC[C@@H](C)[C@@H](C[NH3+])C2)cc1OC ZINC000424016024 563366981 /nfs/dbraw/zinc/36/69/81/563366981.db2.gz NMHXOFJFYDCPBE-YPMHNXCESA-N 1 0 385.302 2.913 20 0 GFADRO C[C@H]1CCN(C(=O)c2nn(-c3ccc(F)cc3)cc2Br)C[C@@H]1C[NH3+] ZINC000424012852 563367303 /nfs/dbraw/zinc/36/73/03/563367303.db2.gz KBBUBZKVIXEQEV-RYUDHWBXSA-N 1 0 395.276 2.831 20 0 GFADRO CCn1cc(Br)cc1C(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1 ZINC000424039704 563367771 /nfs/dbraw/zinc/36/77/71/563367771.db2.gz PNXQRYFWHCAYKT-DZGCQCFKSA-N 1 0 380.261 2.977 20 0 GFADRO C[NH2+]CCCN(C)C(=O)CCCOc1ccc(I)cc1 ZINC000424028974 563367923 /nfs/dbraw/zinc/36/79/23/563367923.db2.gz FMWXQDWZIUBYNT-UHFFFAOYSA-N 1 0 390.265 2.518 20 0 GFADRO CN(C)c1ncc(Br)cc1C(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000374331954 563368135 /nfs/dbraw/zinc/36/81/35/563368135.db2.gz MLCVLLUXYQMPLZ-CQSZACIVSA-N 1 0 395.345 2.714 20 0 GFADRO C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000424076282 563369315 /nfs/dbraw/zinc/36/93/15/563369315.db2.gz QIHVPTONRFCXGC-CYDGBPFRSA-N 1 0 386.323 2.944 20 0 GFADRO COc1cc(C(=O)N2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)cc(Br)c1OC ZINC000424080195 563370221 /nfs/dbraw/zinc/37/02/21/563370221.db2.gz VIJNPMZEEBLVBL-WZRBSPASSA-N 1 0 385.302 2.912 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)Cc1ccccc1Br ZINC000374420841 563371862 /nfs/dbraw/zinc/37/18/62/563371862.db2.gz MAKIUWRLNMHOAR-OIISXLGYSA-N 1 0 381.314 2.702 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2C(=O)Cc1ccccc1Br ZINC000374420837 563372099 /nfs/dbraw/zinc/37/20/99/563372099.db2.gz MAKIUWRLNMHOAR-DJIMGWMZSA-N 1 0 381.314 2.702 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2C(=O)Cc1ccc(F)c(Br)c1 ZINC000374423592 563372103 /nfs/dbraw/zinc/37/21/03/563372103.db2.gz SRSVUZZUYFTIJZ-KBRIMQKVSA-N 1 0 399.304 2.841 20 0 GFADRO CS(=O)(=O)CCCC[NH2+]Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000424175216 563372196 /nfs/dbraw/zinc/37/21/96/563372196.db2.gz SZWQMLNOEWLUJZ-UHFFFAOYSA-N 1 0 375.416 2.806 20 0 GFADRO NC(=O)N1CCC([NH2+]Cc2cc(Cl)cc(I)c2)CC1 ZINC000424165942 563372689 /nfs/dbraw/zinc/37/26/89/563372689.db2.gz FRQPAMARHLUXML-UHFFFAOYSA-N 1 0 393.656 2.577 20 0 GFADRO C[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424229495 563374354 /nfs/dbraw/zinc/37/43/54/563374354.db2.gz XKALIESAVYFXMZ-XNJJOIOASA-N 1 0 381.307 2.859 20 0 GFADRO Brc1cccc(-c2noc(-c3cn([C@H]4CCC[NH2+]C4)nn3)n2)c1 ZINC000424341309 563376157 /nfs/dbraw/zinc/37/61/57/563376157.db2.gz UUWCDYKKGOWXED-LBPRGKRZSA-N 1 0 375.230 2.682 20 0 GFADRO O=S1(=O)CCC[C@@H]([NH2+]Cc2cc(Cl)cc(I)c2)C1 ZINC000424303527 563376165 /nfs/dbraw/zinc/37/61/65/563376165.db2.gz ZZFCIRUQAJEAOK-GFCCVEGCSA-N 1 0 399.681 2.611 20 0 GFADRO CN(Cc1nc(C2([NH3+])CCCCC2)no1)C(=O)c1ccc(Br)o1 ZINC000424341090 563376302 /nfs/dbraw/zinc/37/63/02/563376302.db2.gz IFGOJJFFMFLABV-UHFFFAOYSA-N 1 0 383.246 2.815 20 0 GFADRO C[N@@H+]1CCC[C@@H]2CN(S(=O)(=O)c3cc4c(cc3Cl)CCC4=O)CC[C@@H]21 ZINC000374595017 563377521 /nfs/dbraw/zinc/37/75/21/563377521.db2.gz RRWRDRPFTXJDRD-CJNGLKHVSA-N 1 0 382.913 2.574 20 0 GFADRO C[C@@H]1CC2(CN1S(=O)(=O)c1cc(F)ccc1Br)CC[NH2+]CC2 ZINC000424389585 563378012 /nfs/dbraw/zinc/37/80/12/563378012.db2.gz IFTZUQNSCFJVAW-LLVKDONJSA-N 1 0 391.306 2.741 20 0 GFADRO Cc1nc(NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)sc1S(N)(=O)=O ZINC000374622843 563378077 /nfs/dbraw/zinc/37/80/77/563378077.db2.gz AYIIUETZMGRKLW-ZDUSSCGKSA-N 1 0 380.539 2.736 20 0 GFADRO C[C@@H]1CC2(CN1S(=O)(=O)c1ccc(Br)c(F)c1)CC[NH2+]CC2 ZINC000424390361 563378228 /nfs/dbraw/zinc/37/82/28/563378228.db2.gz KHGULBULUMPLAB-LLVKDONJSA-N 1 0 391.306 2.741 20 0 GFADRO COC(=O)[C@@H](c1cccnc1)N1CCC(Cn2cc(Br)cn2)CC1 ZINC000374642689 563378544 /nfs/dbraw/zinc/37/85/44/563378544.db2.gz CSHFZNNHZQHDKM-MRXNPFEDSA-N 1 0 393.285 2.667 20 0 GFADRO COc1ccc(CCC(=O)N2CCn3cc(C)nc3C2)cc1Br ZINC000374644767 563378586 /nfs/dbraw/zinc/37/85/86/563378586.db2.gz HPKKPRKMPOCLFF-UHFFFAOYSA-N 1 0 378.270 2.938 20 0 GFADRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2c[nH]c3ncc(Br)cc23)C1 ZINC000281679150 563383202 /nfs/dbraw/zinc/38/32/02/563383202.db2.gz ULMAFUATPZVECY-NHYWBVRUSA-N 1 0 377.286 2.882 20 0 GFADRO C[N@@H+]1CCN(CCNC(=O)C[C@H](O)c2cc(Cl)cc(Cl)c2)CC1(C)C ZINC000281724888 563385031 /nfs/dbraw/zinc/38/50/31/563385031.db2.gz ITUPIXLFRUCWIR-INIZCTEOSA-N 1 0 388.339 2.559 20 0 GFADRO COc1c(Br)ccc(C)c1C(=O)NCCCC[N@@H+]1CCC[C@H]1CO ZINC000424746558 563390025 /nfs/dbraw/zinc/39/00/25/563390025.db2.gz XLNIEMONXZIXIT-AWEZNQCLSA-N 1 0 399.329 2.733 20 0 GFADRO CN1CC[NH+](C2(C(=O)N3Cc4cccc(Br)c4C3)CCCC2)CC1 ZINC000375223631 563396043 /nfs/dbraw/zinc/39/60/43/563396043.db2.gz FIZBFKOEGCNXTD-UHFFFAOYSA-N 1 0 392.341 2.852 20 0 GFADRO CC(C)n1c(Sc2ncc(C(N)=O)cc2Cl)nnc1[C@@H]1CCC[NH2+]C1 ZINC000301305073 563400128 /nfs/dbraw/zinc/40/01/28/563400128.db2.gz XVXGPVCFEHKEGG-SNVBAGLBSA-N 1 0 380.905 2.625 20 0 GFADRO C[C@@H](Oc1ccc(F)cc1Br)C(=O)N1CCC[C@H]2C[N@H+](C)C[C@H]21 ZINC000425061606 563402442 /nfs/dbraw/zinc/40/24/42/563402442.db2.gz ZTOCJZHDHBOWCM-TYNCELHUSA-N 1 0 385.277 2.908 20 0 GFADRO CN(CC[NH+](C)C)c1ccc(Br)cc1NC(=O)[C@H]1C[C@@]12CCOC2 ZINC000425098889 563404113 /nfs/dbraw/zinc/40/41/13/563404113.db2.gz MWYCAMRHNBPZGY-RDTXWAMCSA-N 1 0 396.329 2.812 20 0 GFADRO Cn1cc(-c2ccc(C[NH2+]Cc3ccc(CS(C)(=O)=O)cc3)s2)cn1 ZINC000282381601 563409289 /nfs/dbraw/zinc/40/92/89/563409289.db2.gz ZCJULILFQGIIIW-UHFFFAOYSA-N 1 0 375.519 2.983 20 0 GFADRO COc1cc2[nH+]ccc(NCCc3nnc4n3CCC4)c2cc1Br ZINC000425210428 563411494 /nfs/dbraw/zinc/41/14/94/563411494.db2.gz RCJPZWTXNUIGIZ-UHFFFAOYSA-N 1 0 388.269 2.620 20 0 GFADRO OC[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1Nc1ncc(Br)cn1 ZINC000301738137 563411800 /nfs/dbraw/zinc/41/18/00/563411800.db2.gz WAQHSIXIKKIIDG-ZBFHGGJFSA-N 1 0 377.286 2.534 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCO[C@@H]1C1CC1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000375667673 563413853 /nfs/dbraw/zinc/41/38/53/563413853.db2.gz ZEBPZGHNKJKVJR-RPAKXZQJSA-N 1 0 379.309 2.859 20 0 GFADRO COc1cc2[nH+]ccc(N3CCN(C4CC4)C(=O)C3)c2cc1Br ZINC000425239453 563414226 /nfs/dbraw/zinc/41/42/26/563414226.db2.gz WYDBIZYJNNDHDF-UHFFFAOYSA-N 1 0 376.254 2.817 20 0 GFADRO CCC(=O)N1CC[C@@H](Nc2cc[nH+]c3cc(OC)c(Br)cc23)C1 ZINC000425239700 563414355 /nfs/dbraw/zinc/41/43/55/563414355.db2.gz OCJHSNKWPXHHDN-LLVKDONJSA-N 1 0 378.270 2.851 20 0 GFADRO O=S(=O)(CC[NH2+]C1(C2CC2)CCOCC1)c1cccc(Br)c1 ZINC000375707740 563414878 /nfs/dbraw/zinc/41/48/78/563414878.db2.gz YSTCGDQHRPKTAY-UHFFFAOYSA-N 1 0 388.327 2.772 20 0 GFADRO COc1cc2[nH+]ccc(NC[C@H]3CCOC[C@@H]3OC)c2cc1Br ZINC000425256517 563414858 /nfs/dbraw/zinc/41/48/58/563414858.db2.gz BQBASWGHGKFUBR-DIFFPNOSSA-N 1 0 381.270 2.891 20 0 GFADRO COCC(C)(C)[NH+]1CCN(c2ccnc3cc(Br)cnc32)CC1 ZINC000425278941 563416146 /nfs/dbraw/zinc/41/61/46/563416146.db2.gz KNUAXHBNIZFYGT-UHFFFAOYSA-N 1 0 379.302 2.939 20 0 GFADRO O=C1CC[C@@H](CC[NH2+]C2CCN(Cc3ccccc3Br)CC2)N1 ZINC000375767229 563417879 /nfs/dbraw/zinc/41/78/79/563417879.db2.gz BVIDCSXFLYJGFL-INIZCTEOSA-N 1 0 380.330 2.672 20 0 GFADRO Ic1cccc(OCCC[N@@H+]2CC[C@@H](c3nnc[nH]3)C2)c1 ZINC000425354013 563418443 /nfs/dbraw/zinc/41/84/43/563418443.db2.gz JWECUJXANYRTLB-GFCCVEGCSA-N 1 0 398.248 2.668 20 0 GFADRO COC(=O)c1cnc([C@H](C)NC(=O)NC[C@@H](c2ccsc2)[NH+](C)C)s1 ZINC000425399550 563420316 /nfs/dbraw/zinc/42/03/16/563420316.db2.gz WRUYZRVAOUDCHB-JQWIXIFHSA-N 1 0 382.511 2.654 20 0 GFADRO Cc1nn(C)c(CNC2CC[NH+](Cc3ccccn3)CC2)c1Br ZINC000375921123 563423390 /nfs/dbraw/zinc/42/33/90/563423390.db2.gz UZYNQROYHNHBPP-UHFFFAOYSA-N 1 0 378.318 2.640 20 0 GFADRO OCCOC1(C[NH2+][C@H]2CCc3c2cc(Br)cc3F)CCOCC1 ZINC000282782402 563424175 /nfs/dbraw/zinc/42/41/75/563424175.db2.gz PRTRZZODRKNTCN-INIZCTEOSA-N 1 0 388.277 2.723 20 0 GFADRO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000375930499 563424194 /nfs/dbraw/zinc/42/41/94/563424194.db2.gz GJVJHLCYKNQKKQ-RISCZKNCSA-N 1 0 391.265 2.688 20 0 GFADRO COC(=O)[C@@H]1C[N@H+](CCc2cnn(C)c2)C[C@H]1c1ccc(Br)cc1 ZINC000425522135 563426631 /nfs/dbraw/zinc/42/66/31/563426631.db2.gz UZLYXMJORFZIEC-DLBZAZTESA-N 1 0 392.297 2.614 20 0 GFADRO C[C@H]([NH2+]CC1(OCCO)CCOCC1)c1ccc(F)cc1Br ZINC000282885443 563428217 /nfs/dbraw/zinc/42/82/17/563428217.db2.gz VXXPUJJWXYACQB-LBPRGKRZSA-N 1 0 376.266 2.797 20 0 GFADRO C[NH+](C)C[C@H]1CCc2ccccc2N1C(=O)Cn1cc(Br)cn1 ZINC000425622301 563428742 /nfs/dbraw/zinc/42/87/42/563428742.db2.gz JZXDGZRJVHLBMD-OAHLLOKOSA-N 1 0 377.286 2.555 20 0 GFADRO Cn1ccnc1[C@@H]1CCCN(C(=O)c2cn3ccc(Br)cc3n2)C1 ZINC000376092417 563429316 /nfs/dbraw/zinc/42/93/16/563429316.db2.gz MDKFWCZAHBOSQQ-GFCCVEGCSA-N 1 0 388.269 2.850 20 0 GFADRO O=S1(=O)CCCN1C1CCC([NH2+]Cc2cnc(C(F)(F)F)s2)CC1 ZINC000376116385 563430716 /nfs/dbraw/zinc/43/07/16/563430716.db2.gz QNIGGZILWRDAEY-UHFFFAOYSA-N 1 0 383.461 2.598 20 0 GFADRO CC[NH+](CC)CC(=O)N1CCN(CCOc2ccc(Cl)cc2Cl)CC1 ZINC000303224346 563432911 /nfs/dbraw/zinc/43/29/11/563432911.db2.gz SQVJBYCDNGWGML-UHFFFAOYSA-N 1 0 388.339 2.858 20 0 GFADRO C[C@H]([NH2+]CCc1cccc(Br)c1)c1cccc(S(N)(=O)=O)c1 ZINC000313741664 563437497 /nfs/dbraw/zinc/43/74/97/563437497.db2.gz OQKVMLLLOAIDNP-LBPRGKRZSA-N 1 0 383.311 2.990 20 0 GFADRO CC[C@@]1(O)CC[N@H+](C[C@@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000425926212 563440741 /nfs/dbraw/zinc/44/07/41/563440741.db2.gz XJGLMVMUGRIAAS-IUODEOHRSA-N 1 0 378.694 2.689 20 0 GFADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)c1cc(Cl)cc(F)c1Br ZINC000283271238 563440820 /nfs/dbraw/zinc/44/08/20/563440820.db2.gz ARUVAHBVEFBZMO-JTQLQIEISA-N 1 0 392.700 2.607 20 0 GFADRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)COc1ccc(C=O)cc1Br ZINC000376444151 563442308 /nfs/dbraw/zinc/44/23/08/563442308.db2.gz XLAQMCNAMIIBIF-CZUORRHYSA-N 1 0 395.297 2.726 20 0 GFADRO C[NH+](C)CCOCCNC(=O)c1ccc(Br)c(C(F)(F)F)c1 ZINC000319024954 563444986 /nfs/dbraw/zinc/44/49/86/563444986.db2.gz XFMKBPDFYALZCF-UHFFFAOYSA-N 1 0 383.208 2.776 20 0 GFADRO Cc1ccc(Br)nc1C(=O)N[C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@@H]1C ZINC000376560165 563446656 /nfs/dbraw/zinc/44/66/56/563446656.db2.gz CLSDRBAPHGOHRW-SOUVJXGZSA-N 1 0 396.329 2.772 20 0 GFADRO O=C(NC[C@@H](O)c1cccc(Br)c1)NC1CC([NH+]2CCCCC2)C1 ZINC000376598378 563448111 /nfs/dbraw/zinc/44/81/11/563448111.db2.gz CHOKEOFPGLWYHW-OFLPRAFFSA-N 1 0 396.329 2.799 20 0 GFADRO Cc1ccc(Br)c(C(=O)Nc2ccc(N3CC[NH2+]CC3)cn2)c1 ZINC000324373595 563452153 /nfs/dbraw/zinc/45/21/53/563452153.db2.gz KCRZGLULJQIPIF-UHFFFAOYSA-N 1 0 375.270 2.814 20 0 GFADRO O=S1(=O)CC[C@@H]([NH2+]C2CCN(Cc3csc(-c4cccs4)n3)CC2)C1 ZINC000376798425 563454764 /nfs/dbraw/zinc/45/47/64/563454764.db2.gz HGXDXANSZHAYBO-CQSZACIVSA-N 1 0 397.591 2.613 20 0 GFADRO Cn1cncc1C(=O)N(Cc1ccccc1Br)C1CC[NH+](C)CC1 ZINC000426783334 563455685 /nfs/dbraw/zinc/45/56/85/563455685.db2.gz JINAAJLDEOLCHE-UHFFFAOYSA-N 1 0 391.313 2.919 20 0 GFADRO CO[C@H](C[NH+]1CCC(NS(=O)(=O)c2cccs2)CC1)c1ccccc1 ZINC000283890008 563458343 /nfs/dbraw/zinc/45/83/43/563458343.db2.gz IQZSCURAJVYHFU-QGZVFWFLSA-N 1 0 380.535 2.879 20 0 GFADRO [NH3+]C[C@@H]1Cc2ccccc2N(Cc2cc(=O)n3cc(Br)ccc3n2)C1 ZINC000328569665 563460988 /nfs/dbraw/zinc/46/09/88/563460988.db2.gz QTWIMPYGBLEMCY-ZDUSSCGKSA-N 1 0 399.292 2.595 20 0 GFADRO O=S(=O)(C[C@@H]1CCCO1)NC[C@@H](c1c(F)cccc1Cl)N1CCCC1 ZINC000328704420 563463173 /nfs/dbraw/zinc/46/31/73/563463173.db2.gz KPEGIWYFIGGYQE-BBRMVZONSA-N 1 0 390.908 2.714 20 0 GFADRO O=C(c1cc(-c2ccc(Br)cc2)n[nH]1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000328686666 563463429 /nfs/dbraw/zinc/46/34/29/563463429.db2.gz YLIXOJXONFMRKF-CQSZACIVSA-N 1 0 375.270 2.759 20 0 GFADRO C[C@@H]1CN(C(=O)c2sccc2Br)CCN1C1CC[NH+](C)CC1 ZINC000377256378 563468659 /nfs/dbraw/zinc/46/86/59/563468659.db2.gz KTZVRTRVRSJIHQ-GFCCVEGCSA-N 1 0 386.359 2.751 20 0 GFADRO C[NH+](C)[C@H]1CCCN(C(=O)COc2ccc(C=O)cc2Br)CC1 ZINC000377272259 563469239 /nfs/dbraw/zinc/46/92/39/563469239.db2.gz AWKSBNJYSVCUBO-AWEZNQCLSA-N 1 0 383.286 2.583 20 0 GFADRO COC(=O)c1cn(CC[NH2+][C@H](c2ccc(Br)s2)C2CC2)nn1 ZINC000284395977 563472882 /nfs/dbraw/zinc/47/28/82/563472882.db2.gz PKZYDHFPGKISGR-ZDUSSCGKSA-N 1 0 385.287 2.630 20 0 GFADRO O[C@H]1CC[N@H+](Cc2cn(-c3ccccc3Br)nn2)C12CCCC2 ZINC000329191668 563475097 /nfs/dbraw/zinc/47/50/97/563475097.db2.gz RNOHOHMLUULHFG-INIZCTEOSA-N 1 0 377.286 2.909 20 0 GFADRO O=S(=O)(c1ccc2cc(Br)ccc2c1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000427931246 563478930 /nfs/dbraw/zinc/47/89/30/563478930.db2.gz LJSLITKIEHPKFM-RHSMWYFYSA-N 1 0 395.322 2.975 20 0 GFADRO CC(C)C[C@@H](CNc1c(F)cc(S(N)(=O)=O)cc1Br)[NH+](C)C ZINC000428112636 563483276 /nfs/dbraw/zinc/48/32/76/563483276.db2.gz ODJUXMZDANWDPO-JTQLQIEISA-N 1 0 396.326 2.624 20 0 GFADRO COCC[C@@H](Cc1cccc(Br)c1)C(=O)N1CCC(C[NH3+])CC1 ZINC000428126676 563483368 /nfs/dbraw/zinc/48/33/68/563483368.db2.gz UMWDHPLNQYVTMN-INIZCTEOSA-N 1 0 383.330 2.842 20 0 GFADRO O=C(c1nc2ccc(Br)cn2n1)N1CCC([NH+]2CCCCC2)CC1 ZINC000329617329 563483848 /nfs/dbraw/zinc/48/38/48/563483848.db2.gz SPRJPFIUKWCQIT-UHFFFAOYSA-N 1 0 392.301 2.582 20 0 GFADRO Cc1n[nH]c(C)c1NC(=O)C[NH2+][C@@H](c1cncc(Br)c1)C1CC1 ZINC000284678273 563485948 /nfs/dbraw/zinc/48/59/48/563485948.db2.gz HFAFWTLWUUNFEU-MRXNPFEDSA-N 1 0 378.274 2.863 20 0 GFADRO CN(Cc1ncc(Br)s1)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000428435011 563492217 /nfs/dbraw/zinc/49/22/17/563492217.db2.gz YGLMUSVSXLKTMX-KRWDZBQOSA-N 1 0 396.354 2.974 20 0 GFADRO C[C@@H]1CN(Cc2cc(Br)cc(C(F)(F)F)c2)CC[N@@H+]1CCO ZINC000428467921 563492827 /nfs/dbraw/zinc/49/28/27/563492827.db2.gz BWWWJLDDYAQDCM-LLVKDONJSA-N 1 0 381.236 2.966 20 0 GFADRO C[C@@H]1C[C@H](N(C)C(=O)C(=O)NCCc2c(Cl)cccc2Cl)CC[N@@H+]1C ZINC000284901324 563493702 /nfs/dbraw/zinc/49/37/02/563493702.db2.gz HOHZCJLIBDGCER-CHWSQXEVSA-N 1 0 386.323 2.593 20 0 GFADRO C[N@@H+]1CCC[C@@H]2CN(S(=O)(=O)c3csc(-c4ccccc4)n3)CC[C@@H]21 ZINC000330034911 563493792 /nfs/dbraw/zinc/49/37/92/563493792.db2.gz BJQQYCNMEOVCNC-CVEARBPZSA-N 1 0 377.535 2.915 20 0 GFADRO Cc1[nH]nc2ncc(C[NH2+]C[C@@H](CO)Cc3cccc(Br)c3)cc12 ZINC000428533102 563494682 /nfs/dbraw/zinc/49/46/82/563494682.db2.gz CDXMGWOYOVDTCU-HNNXBMFYSA-N 1 0 389.297 2.970 20 0 GFADRO C[NH+]1CCC(N(Cc2ccccc2Br)C(=O)c2cnccn2)CC1 ZINC000378081208 563495439 /nfs/dbraw/zinc/49/54/39/563495439.db2.gz UMYYEFQEZYLHIJ-UHFFFAOYSA-N 1 0 389.297 2.976 20 0 GFADRO COc1ccc(Br)c(CN(C)C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000428599612 563496638 /nfs/dbraw/zinc/49/66/38/563496638.db2.gz NRMLZNXSZGLNOT-ZDUSSCGKSA-N 1 0 382.302 2.836 20 0 GFADRO CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+]CCOc2ccc(Br)cc2)C1 ZINC000284956603 563496902 /nfs/dbraw/zinc/49/69/02/563496902.db2.gz FHZYLXGMKYUILW-DZGCQCFKSA-N 1 0 376.316 2.773 20 0 GFADRO O=C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CCN(C(=O)c2ccc(Cl)s2)CC1 ZINC000428612084 563497389 /nfs/dbraw/zinc/49/73/89/563497389.db2.gz JRLALQVNRZYDKZ-PBWFPOADSA-N 1 0 381.929 2.653 20 0 GFADRO C[C@H]([NH2+][C@@H](CO)c1ccc(Br)cc1)C(=O)NCCc1ccccc1 ZINC000428778095 563501230 /nfs/dbraw/zinc/50/12/30/563501230.db2.gz ICYAXQPMPNWETO-KSSFIOAISA-N 1 0 391.309 2.820 20 0 GFADRO O=C(CSc1cccc(Br)c1)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000378329202 563502686 /nfs/dbraw/zinc/50/26/86/563502686.db2.gz DWQLOXLQEFSFLJ-UONOGXRCSA-N 1 0 385.327 2.521 20 0 GFADRO C[C@H](CN1CCN(C2(C(N)=O)CCCC2)CC1)c1cccc(Br)c1 ZINC000378347669 563503840 /nfs/dbraw/zinc/50/38/40/563503840.db2.gz AXAVLALRCAXRLQ-OAHLLOKOSA-N 1 0 394.357 2.968 20 0 GFADRO C[C@@H](NC(=O)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1)c1cccc(Cl)c1Cl ZINC000285123716 563504126 /nfs/dbraw/zinc/50/41/26/563504126.db2.gz LDZWUKNLUMQQNE-VXGBXAGGSA-N 1 0 384.307 2.771 20 0 GFADRO C[C@H]([NH3+])C1CCN(C(=O)CCNC(=O)Nc2ccc(Br)cc2)CC1 ZINC000428926794 563504340 /nfs/dbraw/zinc/50/43/40/563504340.db2.gz UKUMIEHMTDYLHG-LBPRGKRZSA-N 1 0 397.317 2.547 20 0 GFADRO Cn1cc([C@H](O)C[C@@H]2CCC[N@@H+]2Cc2cc(O)ccc2Br)cn1 ZINC000378382545 563505364 /nfs/dbraw/zinc/50/53/64/563505364.db2.gz ZHURHUITWUEPAX-WMLDXEAASA-N 1 0 380.286 2.976 20 0 GFADRO COc1ccc(CCC(=O)N2CC[C@@H]3CC[N@H+](C)[C@@H]3C2)cc1Br ZINC000378461553 563507674 /nfs/dbraw/zinc/50/76/74/563507674.db2.gz LDUVOXNEZGHDNO-GOEBONIOSA-N 1 0 381.314 2.943 20 0 GFADRO C[C@@H]1C[C@H]1[N@@H+]1CCN([C@H](C(N)=O)c2ccc(Br)cc2)C[C@@H](C)C1 ZINC000429015903 563507829 /nfs/dbraw/zinc/50/78/29/563507829.db2.gz AUPXFIHONOOPPO-IXKJSCDLSA-N 1 0 380.330 2.638 20 0 GFADRO C[N@@H+]1CC[C@H]2CCN(C(=O)c3csc(I)c3)[C@@H]2C1 ZINC000378489971 563509364 /nfs/dbraw/zinc/50/93/64/563509364.db2.gz BYMCSZBPEHEYLA-GXSJLCMTSA-N 1 0 376.263 2.519 20 0 GFADRO [NH3+]C[C@H]1CCC[C@H]1NC(=O)c1cc(I)ccc1Cl ZINC000429144062 563510951 /nfs/dbraw/zinc/51/09/51/563510951.db2.gz SZDGPSOEGRKDNZ-PRHODGIISA-N 1 0 378.641 2.802 20 0 GFADRO CC1(C)NC(=O)N(CC[NH2+][C@H]2c3cc(Br)ccc3CC2(C)C)C1=O ZINC000429286967 563513057 /nfs/dbraw/zinc/51/30/57/563513057.db2.gz LAMDXYQBLGWAQP-AWEZNQCLSA-N 1 0 394.313 2.993 20 0 GFADRO C[C@H](C(=O)N[C@H](CO)C[NH+]1CCCCC1)c1ccc(Br)s1 ZINC000330608545 563513172 /nfs/dbraw/zinc/51/31/72/563513172.db2.gz MYYTWCBJPXFXEV-RYUDHWBXSA-N 1 0 375.332 2.577 20 0 GFADRO O=C(C[NH2+][C@H]1Cc2cccc(O)c2C1)Nc1ccc(Br)cc1F ZINC000429295937 563514060 /nfs/dbraw/zinc/51/40/60/563514060.db2.gz BTCZDQZFDRXXLZ-LBPRGKRZSA-N 1 0 379.229 2.989 20 0 GFADRO O=S(=O)(CC[NH2+][C@@H]1Cc2cccc(O)c2C1)c1ccc(Br)cc1 ZINC000429304118 563514160 /nfs/dbraw/zinc/51/41/60/563514160.db2.gz FABRBAQIRWDBPZ-CQSZACIVSA-N 1 0 396.306 2.685 20 0 GFADRO C[NH+](C)CC(C)(C)CNS(=O)(=O)c1c(Cl)cccc1Br ZINC000379980007 563514868 /nfs/dbraw/zinc/51/48/68/563514868.db2.gz JMZALYQWHSXOOW-UHFFFAOYSA-N 1 0 383.739 2.969 20 0 GFADRO CC[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000330645556 563515655 /nfs/dbraw/zinc/51/56/55/563515655.db2.gz GOIAQRBFXWDJFF-GXTWGEPZSA-N 1 0 387.933 2.792 20 0 GFADRO CCOC(=O)CN(C)C(=O)C[NH2+][C@H]1c2cccc(Br)c2CC1(C)C ZINC000429410678 563516486 /nfs/dbraw/zinc/51/64/86/563516486.db2.gz RLEZERHKRQKVOA-KRWDZBQOSA-N 1 0 397.313 2.684 20 0 GFADRO C[C@H]([NH2+][C@H](CO)CC(F)F)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000429444038 563516798 /nfs/dbraw/zinc/51/67/98/563516798.db2.gz ARVCNYMPFPZKNH-ZFWWWQNUSA-N 1 0 376.469 2.528 20 0 GFADRO COC[C@@H]([NH2+]C[C@@H](CO)Cc1ccccc1Br)C1CCOCC1 ZINC000429458438 563517011 /nfs/dbraw/zinc/51/70/11/563517011.db2.gz WLUNGQQBVVURKB-KBXCAEBGSA-N 1 0 386.330 2.631 20 0 GFADRO C[NH2+]C[C@H]1CCN(C(=O)CSCc2ccc(Br)cc2F)C1 ZINC000429427390 563517197 /nfs/dbraw/zinc/51/71/97/563517197.db2.gz HWTBPCNCDWZTTG-LLVKDONJSA-N 1 0 375.307 2.889 20 0 GFADRO C[N@H+](CCCNC(=O)C1CCC1)C[C@H](O)COc1ccc(Cl)cc1Cl ZINC000429526338 563518420 /nfs/dbraw/zinc/51/84/20/563518420.db2.gz GQARGXBFBXWLNF-HNNXBMFYSA-N 1 0 389.323 2.971 20 0 GFADRO O=C1NC(=O)C2(CCC([NH2+]Cc3ccc(Cl)c(C(F)(F)F)c3)CC2)N1 ZINC000285407739 563519464 /nfs/dbraw/zinc/51/94/64/563519464.db2.gz FNPWFFYLGAEBMH-UHFFFAOYSA-N 1 0 375.778 2.969 20 0 GFADRO C[C@@H](C[NH2+]C1CCC2(CC1)NC(=O)NC2=O)c1cccc(Br)c1 ZINC000285449964 563521543 /nfs/dbraw/zinc/52/15/43/563521543.db2.gz IVKDKTXFSSXQII-HUZSNBGSSA-N 1 0 380.286 2.663 20 0 GFADRO O[C@@H](C[NH2+]CCCn1cc(Br)cn1)COc1ccccc1Cl ZINC000390170947 563522472 /nfs/dbraw/zinc/52/24/72/563522472.db2.gz PXVJKNLWVTXWDW-ZDUSSCGKSA-N 1 0 388.693 2.719 20 0 GFADRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+]CC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000429774993 563522634 /nfs/dbraw/zinc/52/26/34/563522634.db2.gz OQQMQGZVWISJGP-ZYHUDNBSSA-N 1 0 377.794 2.802 20 0 GFADRO COCCC[N@H+](C)CCNC(=O)N[C@H](c1cncc(Br)c1)C1CC1 ZINC000285485312 563523403 /nfs/dbraw/zinc/52/34/03/563523403.db2.gz QYUDTZLOWPRUSF-INIZCTEOSA-N 1 0 399.333 2.563 20 0 GFADRO COc1ccc(C[NH2+]CC2(S(C)(=O)=O)CCCC2)c(Br)c1 ZINC000285491020 563523583 /nfs/dbraw/zinc/52/35/83/563523583.db2.gz MITNJWAHNPGVCF-UHFFFAOYSA-N 1 0 376.316 2.905 20 0 GFADRO COCCC[N@H+](C)CCNC(=O)N[C@@H](c1cncc(Br)c1)C1CC1 ZINC000285485322 563523676 /nfs/dbraw/zinc/52/36/76/563523676.db2.gz QYUDTZLOWPRUSF-MRXNPFEDSA-N 1 0 399.333 2.563 20 0 GFADRO CC[N@H+](C)C[C@H]1CCN(C(=O)CCCS(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000285522863 563525007 /nfs/dbraw/zinc/52/50/07/563525007.db2.gz BGLHXZXWVBMOPG-OAHLLOKOSA-N 1 0 386.945 2.694 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)C(=O)N1CCC[C@H]([NH+](C)C)CC1 ZINC000429884245 563527091 /nfs/dbraw/zinc/52/70/91/563527091.db2.gz KXDSZDUIKFQZQB-HNNXBMFYSA-N 1 0 396.329 2.893 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)N1CCC[C@@H]([NH+](C)C)CC1 ZINC000429875824 563527168 /nfs/dbraw/zinc/52/71/68/563527168.db2.gz GUARQTYFPGKFIT-OAHLLOKOSA-N 1 0 396.329 2.947 20 0 GFADRO CC[N@@H+]1CCCN(C(=O)COc2ccc(Br)cc2C(C)=O)CC1 ZINC000285572583 563527236 /nfs/dbraw/zinc/52/72/36/563527236.db2.gz WICPGFADZZRLHE-UHFFFAOYSA-N 1 0 383.286 2.585 20 0 GFADRO O[C@@H](C[NH2+]Cc1cc(Br)cc2c1OCC2)COc1ccccc1 ZINC000393377284 563528410 /nfs/dbraw/zinc/52/84/10/563528410.db2.gz MVCSTVWIXNZAQH-INIZCTEOSA-N 1 0 378.266 2.914 20 0 GFADRO CC[NH+]1CCN(CCNC(=O)c2cc(F)c(Br)c(Cl)c2)CC1 ZINC000285612186 563528966 /nfs/dbraw/zinc/52/89/66/563528966.db2.gz QDAIEAAVRVZAMP-UHFFFAOYSA-N 1 0 392.700 2.609 20 0 GFADRO CC(C)(C)[C@@H]1NC(=O)CC[C@H]1[NH2+]Cc1ncc(I)s1 ZINC000285650928 563530986 /nfs/dbraw/zinc/53/09/86/563530986.db2.gz ZVWCBHMDPXWWOD-PRHODGIISA-N 1 0 393.294 2.531 20 0 GFADRO CCOC(=O)C[C@H](NC(=O)C[NH2+]CC1CC1)c1ccc(Br)cc1 ZINC000430028009 563531385 /nfs/dbraw/zinc/53/13/85/563531385.db2.gz OXZQIAQHVBRBBP-HNNXBMFYSA-N 1 0 383.286 2.559 20 0 GFADRO C[NH+]1CCC(O)(CNC(=O)c2ccc(Br)c(C(F)(F)F)c2)CC1 ZINC000397553667 563531815 /nfs/dbraw/zinc/53/18/15/563531815.db2.gz HQGAUASWLHOLGN-UHFFFAOYSA-N 1 0 395.219 2.654 20 0 GFADRO CS(=O)(=O)N[C@H]1CCC[C@@H]1C[NH2+]Cc1cc(Cl)ccc1OCC1CC1 ZINC000430025493 563531859 /nfs/dbraw/zinc/53/18/59/563531859.db2.gz JIXIOSMNTVEQNT-PBHICJAKSA-N 1 0 386.945 2.936 20 0 GFADRO C[C@H]1C[C@H]1[N@@H+]1CCN(Cc2ncc(I)s2)C[C@@H](C)C1 ZINC000430130138 563534817 /nfs/dbraw/zinc/53/48/17/563534817.db2.gz JMVMTMWXBWEUQF-GRYCIOLGSA-N 1 0 391.322 2.910 20 0 GFADRO CC(C)[NH+]1CCC(C(=O)NC[C@@H](CO)Cc2cccc(Br)c2)CC1 ZINC000430148020 563535877 /nfs/dbraw/zinc/53/58/77/563535877.db2.gz KIKCXYTYXXHCCV-INIZCTEOSA-N 1 0 397.357 2.837 20 0 GFADRO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NC[C@@H](CO)Cc1ccccc1Br ZINC000430152564 563536642 /nfs/dbraw/zinc/53/66/42/563536642.db2.gz DULRHKQXEGVGQU-ZNMIVQPWSA-N 1 0 383.330 2.589 20 0 GFADRO [NH3+]CC1(CCNC(=O)c2cc(Cl)ccc2I)CC1 ZINC000404525798 563536910 /nfs/dbraw/zinc/53/69/10/563536910.db2.gz SFPYHTWSDRMGAJ-UHFFFAOYSA-N 1 0 378.641 2.803 20 0 GFADRO CC(=O)c1cc(Br)ccc1OCC(=O)N1CC[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000285804008 563537376 /nfs/dbraw/zinc/53/73/76/563537376.db2.gz MASHJTJFRLAYCA-CJNGLKHVSA-N 1 0 395.297 2.583 20 0 GFADRO Cc1ccc(S(=O)(=O)N2CCC[C@H](C)[C@H]2CC[NH3+])c(Br)c1 ZINC000405235581 563538718 /nfs/dbraw/zinc/53/87/18/563538718.db2.gz DIVHJSNGZYFTIH-GXTWGEPZSA-N 1 0 375.332 2.896 20 0 GFADRO O=C(COC1C[NH2+]C1)NCc1ccc(Br)cc1Oc1ccccc1 ZINC000430411526 563543086 /nfs/dbraw/zinc/54/30/86/563543086.db2.gz UWLATAAFVZTLKR-UHFFFAOYSA-N 1 0 391.265 2.846 20 0 GFADRO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C(=O)NCCC1CC[NH+](C)CC1 ZINC000286016742 563545665 /nfs/dbraw/zinc/54/56/65/563545665.db2.gz RNJUPFQBMMTFKS-UHFFFAOYSA-N 1 0 386.323 2.800 20 0 GFADRO CS(=O)(=O)c1ccc(-c2nc(CN3CC[C@H]4CC[C@@H](C3)[NH2+]4)cs2)cc1 ZINC000430591303 563546105 /nfs/dbraw/zinc/54/61/05/563546105.db2.gz NUTHIISWTZODOE-CABCVRRESA-N 1 0 377.535 2.540 20 0 GFADRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)Cc2cc[nH]c(=O)c2Br)C1 ZINC000331334377 563546603 /nfs/dbraw/zinc/54/66/03/563546603.db2.gz WUBBFHOHHVTZDO-GFCCVEGCSA-N 1 0 384.318 2.719 20 0 GFADRO C[NH2+]C[C@H]1CCCN([C@@H](C)C(=O)N(C)Cc2ccc(Br)cc2)C1 ZINC000430608620 563546739 /nfs/dbraw/zinc/54/67/39/563546739.db2.gz DYISBCFYQVRFQD-GOEBONIOSA-N 1 0 382.346 2.727 20 0 GFADRO [NH3+]CC[C@@H]1CCCCN1C(=O)Cc1csc(NC(=O)c2cccs2)n1 ZINC000286084631 563548523 /nfs/dbraw/zinc/54/85/23/563548523.db2.gz MXGFFWIXPZDDJI-ZDUSSCGKSA-N 1 0 378.523 2.729 20 0 GFADRO Cc1cc(F)c(Br)cc1NC(=O)N1CC[N@@H+](C[C@H](C)O)C[C@@H]1C ZINC000286161916 563550907 /nfs/dbraw/zinc/55/09/07/563550907.db2.gz LWGIKIBOYQYTJN-RYUDHWBXSA-N 1 0 388.281 2.815 20 0 GFADRO Cc1c([C@H]2[C@H]([NH2+]Cc3cc(Br)cs3)CC(=O)N2C)cnn1C ZINC000331504620 563551841 /nfs/dbraw/zinc/55/18/41/563551841.db2.gz DUKNEYDUZAAMOL-HIFRSBDPSA-N 1 0 383.315 2.614 20 0 GFADRO Cc1cc(NC(=O)[C@H](C)N2C[C@H](C)O[C@]3(CCOC3)C2)ccc1Br ZINC000408350134 563552013 /nfs/dbraw/zinc/55/20/13/563552013.db2.gz YCVYYHFQTHLGRU-SUNYJGFJSA-N 1 0 397.313 2.964 20 0 GFADRO CCS[C@@H]1CCC[C@H]1[NH2+]CC(=O)Nc1cc(-n2cnnn2)ccc1Cl ZINC000286250329 563553691 /nfs/dbraw/zinc/55/36/91/563553691.db2.gz SDAGOQUMOKVSDD-UKRRQHHQSA-N 1 0 380.905 2.518 20 0 GFADRO C[N@H+](CCOc1ccc(Br)cc1)C[C@@H](O)COCC(F)(F)F ZINC000431121126 563554471 /nfs/dbraw/zinc/55/44/71/563554471.db2.gz WPEOVLUIVUIAMY-GFCCVEGCSA-N 1 0 386.208 2.700 20 0 GFADRO [NH3+][C@@H]1CCCN(C(=O)Nc2cc(Br)cc(C(=O)N3CCCC3)c2)C1 ZINC000331593231 563554584 /nfs/dbraw/zinc/55/45/84/563554584.db2.gz CHFRYZNJDUCYPT-CQSZACIVSA-N 1 0 395.301 2.640 20 0 GFADRO O[C@@H](COc1ccc(Br)cc1)C[N@@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000431173303 563556023 /nfs/dbraw/zinc/55/60/23/563556023.db2.gz PUEQILKZCDPEJN-CRAIPNDOSA-N 1 0 393.281 2.737 20 0 GFADRO C[N@H+](CCCO)C1CCN(Cc2nc3cc(Br)ccc3o2)CC1 ZINC000286335163 563557154 /nfs/dbraw/zinc/55/71/54/563557154.db2.gz IJGJYOGBPXPIQY-UHFFFAOYSA-N 1 0 382.302 2.869 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)NCCn1cc(Br)cn1 ZINC000286497942 563562651 /nfs/dbraw/zinc/56/26/51/563562651.db2.gz DGTZIMAGBNEFQX-CQSZACIVSA-N 1 0 386.338 2.599 20 0 GFADRO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@@H+]2Cc1nnc(-c2ccc(Br)o2)o1 ZINC000286494688 563562805 /nfs/dbraw/zinc/56/28/05/563562805.db2.gz MBBRXDOMUNZLEJ-UTSHJETRSA-N 1 0 380.242 2.947 20 0 GFADRO Cc1nc(Cl)ccc1S(=O)(=O)N(Cc1ccco1)C1CC[NH+](C)CC1 ZINC000286660588 563569461 /nfs/dbraw/zinc/56/94/61/563569461.db2.gz OXARUGYNUGDMSB-UHFFFAOYSA-N 1 0 383.901 2.922 20 0 GFADRO Cc1cc(C)c(NC(=O)N2CC[NH+](CC(C)(C)O)CC2)c(Br)c1 ZINC000431992526 563573011 /nfs/dbraw/zinc/57/30/11/563573011.db2.gz OYESIIJXIRRKCH-UHFFFAOYSA-N 1 0 384.318 2.986 20 0 GFADRO CNC(=O)[C@H]1C[N@@H+]([C@H](C)c2ccc(Br)cc2)C[C@@H]1c1cnn(C)c1 ZINC000286795151 563575803 /nfs/dbraw/zinc/57/58/03/563575803.db2.gz PHPCGPPJCIPDIQ-JLZZUVOBSA-N 1 0 391.313 2.705 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N2CCc3c(Cl)cc(Cl)cc3[C@@H]2C)C1 ZINC000332106150 563576242 /nfs/dbraw/zinc/57/62/42/563576242.db2.gz ARDUOYBOBSEMAZ-SDDRHHMPSA-N 1 0 384.307 2.635 20 0 GFADRO C[C@H](Oc1ccc(Br)cc1)C(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000409989402 563577123 /nfs/dbraw/zinc/57/71/23/563577123.db2.gz ULWCJQUVEJWKFF-GJZGRUSLSA-N 1 0 399.329 2.834 20 0 GFADRO Cc1nn(C)c2sc([C@@H](C)[NH2+][C@@H]3CCCN(S(=O)(=O)C4CC4)C3)cc12 ZINC000286851071 563577716 /nfs/dbraw/zinc/57/77/16/563577716.db2.gz ALXXQYFKHYBUCO-CHWSQXEVSA-N 1 0 382.555 2.550 20 0 GFADRO NC(=O)[C@H]1CCCN(C(=O)C[NH2+][C@@H]2CCOc3c(Br)cccc32)C1 ZINC000332132830 563578516 /nfs/dbraw/zinc/57/85/16/563578516.db2.gz IJRSVWWGXZFIOO-SMDDNHRTSA-N 1 0 396.285 2.636 20 0 GFADRO C[C@H]([NH2+]C[C@@H]1CCCS(=O)(=O)C1)c1ccccc1I ZINC000286916708 563579495 /nfs/dbraw/zinc/57/94/95/563579495.db2.gz FJPFCOVDJRTGHR-RYUDHWBXSA-N 1 0 393.290 2.767 20 0 GFADRO COC(=O)c1cc(NC(=O)[C@H](C(C)C)[NH+](C)C)cc(Br)c1F ZINC000432364195 563582272 /nfs/dbraw/zinc/58/22/72/563582272.db2.gz FXZDYVNRJMNNBH-ZDUSSCGKSA-N 1 0 375.238 2.900 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000332203327 563583349 /nfs/dbraw/zinc/58/33/49/563583349.db2.gz WIRAFHMSZDYAJF-HNNXBMFYSA-N 1 0 394.313 2.783 20 0 GFADRO CC[C@@H](CNC(=O)c1nn(C)cc1Br)[N@@H+]1CCc2ccccc2C1 ZINC000432506427 563585699 /nfs/dbraw/zinc/58/56/99/563585699.db2.gz UBFQFVGHOCQZFA-HNNXBMFYSA-N 1 0 391.313 2.749 20 0 GFADRO Cc1cc(Br)c(NC(=O)N2CCCO[C@H](C[NH3+])C2)cc1Cl ZINC000332258036 563587977 /nfs/dbraw/zinc/58/79/77/563587977.db2.gz BPHWDOSQFLDJNR-SNVBAGLBSA-N 1 0 376.682 2.992 20 0 GFADRO O=S(=O)(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc(OC(F)F)c(Cl)c1 ZINC000332270801 563589173 /nfs/dbraw/zinc/58/91/73/563589173.db2.gz GEBHEOVIJUNCDB-OLZOCXBDSA-N 1 0 380.844 2.847 20 0 GFADRO Cc1ncc([C@@H](C)[NH2+][C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)c(C)n1 ZINC000287160539 563590379 /nfs/dbraw/zinc/59/03/79/563590379.db2.gz TYUATFUADDIWTP-UKRRQHHQSA-N 1 0 380.539 2.659 20 0 GFADRO C[C@H](N[C@@H]1CCS(=O)(=O)c2ccc(Br)cc21)[C@H]1CCC[NH2+]C1 ZINC000332304323 563591530 /nfs/dbraw/zinc/59/15/30/563591530.db2.gz GNRPOQLUZONOFN-SLEUVZQESA-N 1 0 387.343 2.645 20 0 GFADRO C[C@@H](C[NH+](C)C)NC(=O)c1ccc(NC(=O)c2ccc(Br)o2)cc1 ZINC000287316078 563596376 /nfs/dbraw/zinc/59/63/76/563596376.db2.gz WPNKMZNRPKCEDW-NSHDSACASA-N 1 0 394.269 2.974 20 0 GFADRO CCn1cc(Br)cc1C(=O)N1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000332408065 563597766 /nfs/dbraw/zinc/59/77/66/563597766.db2.gz DECBKDVBYJDDKB-GDBMZVCRSA-N 1 0 384.318 2.629 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)C(=O)N2CCc3c(Cl)cc(Cl)cc3[C@H]2C)CC[NH2+]1 ZINC000332440629 563599121 /nfs/dbraw/zinc/59/91/21/563599121.db2.gz BUNPLQZPSMDVJQ-NQBHXWOUSA-N 1 0 384.307 2.696 20 0 GFADRO C[C@H](c1ccccc1Br)[NH+]1CCC([C@]2(C)NC(=O)NC2=O)CC1 ZINC000332462226 563600633 /nfs/dbraw/zinc/60/06/33/563600633.db2.gz QLZVBECDICYIJS-DIFFPNOSSA-N 1 0 380.286 2.820 20 0 GFADRO C[N@H+](CCOc1ccc(S(N)(=O)=O)cc1)CCSc1ccccc1F ZINC000433041603 563600932 /nfs/dbraw/zinc/60/09/32/563600932.db2.gz VGDSGCFUVYWKCZ-UHFFFAOYSA-N 1 0 384.498 2.576 20 0 GFADRO CC[NH+](CC)[C@H]1CCN(C(=O)Nc2cccc(C(=O)NC)c2Br)C1 ZINC000287426934 563601400 /nfs/dbraw/zinc/60/14/00/563601400.db2.gz OGSGRGLIDLRKPG-LBPRGKRZSA-N 1 0 397.317 2.757 20 0 GFADRO CC(C)[C@H](C[NH3+])C(=O)NC1CCN(Cc2ccc(Br)cc2)CC1 ZINC000433145174 563603993 /nfs/dbraw/zinc/60/39/93/563603993.db2.gz PKCFWXIHGJSPHO-KRWDZBQOSA-N 1 0 382.346 2.761 20 0 GFADRO CC(C)[C@@H](C[NH3+])C(=O)N1CCC(C(=O)Nc2cccc(Br)c2)CC1 ZINC000433125527 563604322 /nfs/dbraw/zinc/60/43/22/563604322.db2.gz KVFXYIBLYLYDMZ-MRXNPFEDSA-N 1 0 396.329 2.857 20 0 GFADRO CC(C)[C@H]1CN(C(=O)C[C@H]2Sc3ccc(Cl)cc3NC2=O)CC[N@@H+]1C ZINC000332580731 563605560 /nfs/dbraw/zinc/60/55/60/563605560.db2.gz FZALQYXBKJECDX-GDBMZVCRSA-N 1 0 381.929 2.942 20 0 GFADRO C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)NCC1(C)CC[NH+](C)CC1 ZINC000332586496 563605657 /nfs/dbraw/zinc/60/56/57/563605657.db2.gz LBZOJOGYSFFREC-GFCCVEGCSA-N 1 0 386.323 2.960 20 0 GFADRO CNC(=O)c1cccc(NC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)c1Br ZINC000287525460 563605680 /nfs/dbraw/zinc/60/56/80/563605680.db2.gz VRECQSFYRWAGDL-OCCSQVGLSA-N 1 0 395.301 2.557 20 0 GFADRO Cc1cc(Cl)ccc1CN1CC[NH+](C[C@@H](O)COCC(F)(F)F)CC1 ZINC000433185773 563605799 /nfs/dbraw/zinc/60/57/99/563605799.db2.gz FZFLZHKKQHBZIR-MRXNPFEDSA-N 1 0 380.838 2.706 20 0 GFADRO C[C@@H]1CN(C(=O)C(=O)N2CCc3c(Cl)cc(Cl)cc3[C@@H]2C)CC[C@H]1[NH3+] ZINC000332581290 563605884 /nfs/dbraw/zinc/60/58/84/563605884.db2.gz GENPIDAGRXJMGL-OHUAYANFSA-N 1 0 384.307 2.635 20 0 GFADRO C[C@H](C(=O)Nc1cccc(Br)c1)[N@@H+]1CC[C@@H](C(=O)N2CCCC2)C1 ZINC000287571970 563607813 /nfs/dbraw/zinc/60/78/13/563607813.db2.gz XLMNTIGXZYRJDX-ZIAGYGMSSA-N 1 0 394.313 2.720 20 0 GFADRO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)Nc1ccc(F)c(Br)c1 ZINC000332626651 563608306 /nfs/dbraw/zinc/60/83/06/563608306.db2.gz VOUJBLXPRZOPRH-STQMWFEESA-N 1 0 398.276 2.612 20 0 GFADRO C[C@@H]([NH3+])C1CCN(C(=O)N[C@@H]2CCN(c3cccc(Br)c3)C2)CC1 ZINC000332657508 563610243 /nfs/dbraw/zinc/61/02/43/563610243.db2.gz JSCRBXLLCKOHQY-CZUORRHYSA-N 1 0 395.345 2.797 20 0 GFADRO CC[NH+](CC)CCS(=O)(=O)N[C@H]1CCOc2c(Br)cccc21 ZINC000332663918 563611006 /nfs/dbraw/zinc/61/10/06/563611006.db2.gz DXMSVIYOWAJYLB-AWEZNQCLSA-N 1 0 391.331 2.534 20 0 GFADRO C[C@H]([NH3+])C1CCN(C(=O)N[C@@H]2CCN(c3ccc(Br)cc3)C2)CC1 ZINC000332666839 563611063 /nfs/dbraw/zinc/61/10/63/563611063.db2.gz OKTNIRHQIJEEJW-XJKSGUPXSA-N 1 0 395.345 2.797 20 0 GFADRO CC[NH+](CC)CCNC(=O)C(=O)Nc1cc(Cl)c(C)cc1Br ZINC000411244770 563611154 /nfs/dbraw/zinc/61/11/54/563611154.db2.gz NVUJSIYRSMLMRI-UHFFFAOYSA-N 1 0 390.709 2.807 20 0 GFADRO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1cc(C)c(Br)c(F)c1 ZINC000411241324 563611699 /nfs/dbraw/zinc/61/16/99/563611699.db2.gz IWYCFQRBGMWWBV-NSHDSACASA-N 1 0 388.281 2.682 20 0 GFADRO Cc1sc2ncnc(SCC(=O)N[C@H]3C[N@H+](C4CC4)C[C@H]3C)c2c1C ZINC000332913171 563616029 /nfs/dbraw/zinc/61/60/29/563616029.db2.gz MSKHMIDYJLFYRW-YGRLFVJLSA-N 1 0 376.551 2.999 20 0 GFADRO O=S(=O)(NCCC[NH+]1CCCC1)c1cc(Br)sc1Cl ZINC000433647620 563617049 /nfs/dbraw/zinc/61/70/49/563617049.db2.gz FPBHKZOWJJNQAD-UHFFFAOYSA-N 1 0 387.752 2.928 20 0 GFADRO COC[C@](C)(CC(=O)OC)[NH2+]CCC(=O)Nc1cc(Cl)ccc1Cl ZINC000411383330 563617354 /nfs/dbraw/zinc/61/73/54/563617354.db2.gz DLLPPULXQZQPAX-INIZCTEOSA-N 1 0 377.268 2.880 20 0 GFADRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)Nc3cnn(-c4ccccc4Br)c3)C[C@H]12 ZINC000333098755 563619898 /nfs/dbraw/zinc/61/98/98/563619898.db2.gz DNXBZLXAUZUGLX-OSAQELSMSA-N 1 0 390.285 2.836 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1nc(-c2ccc(C)s2)cs1 ZINC000287848903 563619914 /nfs/dbraw/zinc/61/99/14/563619914.db2.gz ZCZRBIZEGBAAAU-LBPRGKRZSA-N 1 0 378.523 2.719 20 0 GFADRO NC(=O)C[C@H]([NH2+]CCC(=O)Nc1cc(Cl)ccc1Cl)C1CCOCC1 ZINC000411517291 563621721 /nfs/dbraw/zinc/62/17/21/563621721.db2.gz LZKKULUXZGDJKM-AWEZNQCLSA-N 1 0 388.295 2.582 20 0 GFADRO C[C@@H](NS(=O)(=O)c1ccc(C[NH+](C)C)cc1)c1ccc([S@@](C)=O)cc1 ZINC000433866028 563621981 /nfs/dbraw/zinc/62/19/81/563621981.db2.gz CSIOMYBPQYGQQT-JBEBIEQOSA-N 1 0 380.535 2.525 20 0 GFADRO NC(=O)NC(=O)CC[NH2+][C@@H](CC(F)(F)F)c1ccc(Br)cc1 ZINC000411524840 563622337 /nfs/dbraw/zinc/62/23/37/563622337.db2.gz LMYALCLEXWACST-JTQLQIEISA-N 1 0 382.180 2.617 20 0 GFADRO CCn1cc([C@@H]2NC(=O)CC[C@H]2[NH2+]Cc2cccc(Br)c2)cn1 ZINC000433978253 563623988 /nfs/dbraw/zinc/62/39/88/563623988.db2.gz ZPXXDCRPZNEYRS-WBVHZDCISA-N 1 0 377.286 2.775 20 0 GFADRO C[C@@H]1C[NH+](CCCNC(=O)NCc2cc(F)c(Cl)cc2F)C[C@@H](C)O1 ZINC000433987299 563624608 /nfs/dbraw/zinc/62/46/08/563624608.db2.gz DCZXBNKLHWGGAF-VXGBXAGGSA-N 1 0 375.847 2.917 20 0 GFADRO [NH3+][C@@H]1CCCO[C@H]1C1CCN(C(=O)Cc2ccccc2Br)CC1 ZINC000333260032 563626297 /nfs/dbraw/zinc/62/62/97/563626297.db2.gz ISFFKDGEERNYEN-AEFFLSMTSA-N 1 0 381.314 2.737 20 0 GFADRO Cc1cc(N2CCC[C@H]([NH2+][C@@H]3CCC(=O)N[C@@H]3C)C2=O)ccc1Br ZINC000333269865 563626626 /nfs/dbraw/zinc/62/66/26/563626626.db2.gz HATVNUIEHPUDJD-WQVCFCJDSA-N 1 0 394.313 2.510 20 0 GFADRO [NH3+][C@@H]1CCO[C@@H](C2CCN(C(=O)Cc3cccc(Br)c3)CC2)C1 ZINC000333287436 563626875 /nfs/dbraw/zinc/62/68/75/563626875.db2.gz NRRJOYKEPKQYIW-IAGOWNOFSA-N 1 0 381.314 2.737 20 0 GFADRO COc1c(Cl)cc(NC(=O)C(=O)NCC[C@@H]2CCC[N@H+](C)C2)cc1Cl ZINC000411671878 563629014 /nfs/dbraw/zinc/62/90/14/563629014.db2.gz MHVKJUFPADNEHC-NSHDSACASA-N 1 0 388.295 2.789 20 0 GFADRO CCCc1csc(NC(=O)C(=O)N(CC[NH+](C)C)Cc2ccsc2)n1 ZINC000411695624 563630012 /nfs/dbraw/zinc/63/00/12/563630012.db2.gz PKEVRDGYZFEJOU-UHFFFAOYSA-N 1 0 380.539 2.686 20 0 GFADRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)Nc3ccc4nccnc4c3Br)C[C@H]12 ZINC000333377606 563630173 /nfs/dbraw/zinc/63/01/73/563630173.db2.gz VVBAJSBMCAXHAK-GARJFASQSA-N 1 0 376.258 2.593 20 0 GFADRO C[N@@H+]1CC[C@@H]2OCCN(Cc3c(F)c(F)c(Br)c(F)c3F)[C@@H]2C1 ZINC000411708961 563630810 /nfs/dbraw/zinc/63/08/10/563630810.db2.gz KAEHYRYONOZCCT-ZJUUUORDSA-N 1 0 397.210 2.910 20 0 GFADRO C[C@H]1CN(C(=O)Nc2ccc(-c3ccc(Br)s3)nn2)CC[C@H]1[NH3+] ZINC000333397009 563630965 /nfs/dbraw/zinc/63/09/65/563630965.db2.gz YFFPPYJGJGJESV-VHSXEESVSA-N 1 0 396.314 3.169 20 0 GFADRO O=C(NC[C@H]1CCCC[N@@H+]1C1CC1)C(=O)Nc1ccc(F)c(Br)c1 ZINC000434556717 563632398 /nfs/dbraw/zinc/63/23/98/563632398.db2.gz PECNQXNBUSNXFE-CYBMUJFWSA-N 1 0 398.276 2.660 20 0 GFADRO O=C(N[C@H](c1cncc(Br)c1)C1CC1)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000333472173 563633291 /nfs/dbraw/zinc/63/32/91/563633291.db2.gz ALEQDEYTAMMKJP-XPKDYRNWSA-N 1 0 379.302 2.546 20 0 GFADRO O=C(CC[NH2+][C@H](C1CC1)[C@]1(CO)CCCO1)Nc1ccc(Br)cc1 ZINC000411771763 563633714 /nfs/dbraw/zinc/63/37/14/563633714.db2.gz OZDMQWZWTPFZME-QZTJIDSGSA-N 1 0 397.313 2.687 20 0 GFADRO O=C(CC[N@H+]1CC[C@](O)(C(F)F)C1)Nc1ccc(Br)cc1F ZINC000411786101 563634906 /nfs/dbraw/zinc/63/49/06/563634906.db2.gz CWQLPTBEDZRMRI-CQSZACIVSA-N 1 0 381.192 2.619 20 0 GFADRO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)c1cc(I)ccc1Cl ZINC000434705609 563635459 /nfs/dbraw/zinc/63/54/59/563635459.db2.gz GWSKZFAOYXSVJF-QPUJVOFHSA-N 1 0 378.641 2.815 20 0 GFADRO Cc1cc(C(=O)NC2(C)CC[NH2+]CC2)nn1-c1ccc(Br)cc1 ZINC000434692933 563635579 /nfs/dbraw/zinc/63/55/79/563635579.db2.gz BGXUAUKIEOGICY-UHFFFAOYSA-N 1 0 377.286 2.815 20 0 GFADRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)C1(c2cncc(Br)c2)CC1 ZINC000288280433 563636410 /nfs/dbraw/zinc/63/64/10/563636410.db2.gz HGZVRQBGBMQHAE-BBRMVZONSA-N 1 0 378.314 2.961 20 0 GFADRO COc1cc(NC(=O)CC[NH2+]C2(CO)CCSCC2)c(OC)cc1Cl ZINC000411814422 563636567 /nfs/dbraw/zinc/63/65/67/563636567.db2.gz CYDXRPTXUAVILG-UHFFFAOYSA-N 1 0 388.917 2.534 20 0 GFADRO Cc1cc(Br)cn2cc(CCNC(=O)NCC3=CCCOC3)nc12 ZINC000288325974 563638104 /nfs/dbraw/zinc/63/81/04/563638104.db2.gz VCMHOKYQWQBCDU-UHFFFAOYSA-N 1 0 393.285 2.594 20 0 GFADRO Cc1cc(S(=O)(=O)N2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)sc1Cl ZINC000333670424 563638789 /nfs/dbraw/zinc/63/87/89/563638789.db2.gz MZGAQGPNNDLCRM-STQMWFEESA-N 1 0 378.947 2.617 20 0 GFADRO CC1CC[NH+](C[C@@H](O)CNC(=O)NCc2cc(F)c(Cl)cc2F)CC1 ZINC000434873880 563640043 /nfs/dbraw/zinc/64/00/43/563640043.db2.gz MXJSXYFXTYPZAF-ZDUSSCGKSA-N 1 0 375.847 2.510 20 0 GFADRO [NH3+][C@H]1CCCO[C@H]1C1CCN(C(=O)Cc2cccc(Br)c2)CC1 ZINC000333790871 563641908 /nfs/dbraw/zinc/64/19/08/563641908.db2.gz GEWNVNBVOIPWBM-WMZOPIPTSA-N 1 0 381.314 2.737 20 0 GFADRO C[C@H](NC(=O)C[NH2+][C@@H](CO)[C@H]1CCCOC1)c1ccc(Cl)c(Cl)c1 ZINC000411986115 563643275 /nfs/dbraw/zinc/64/32/75/563643275.db2.gz PCQKNLKFTNFFAM-RBOXIYTFSA-N 1 0 375.296 2.548 20 0 GFADRO C[C@@]1(CNC(=O)N[C@H]2CCOc3ccc(Br)cc32)CCC[NH2+]C1 ZINC000333943883 563646384 /nfs/dbraw/zinc/64/63/84/563646384.db2.gz RLPSWSKYNPPZSQ-WMLDXEAASA-N 1 0 382.302 2.962 20 0 GFADRO COC(=O)[C@@H]1CSCC[N@H+](C[C@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000412062839 563646529 /nfs/dbraw/zinc/64/65/29/563646529.db2.gz BSRUAMLEWMTDMT-AAEUAGOBSA-N 1 0 394.320 2.571 20 0 GFADRO CC(C)[N@@H+](CC(=O)N[C@H](C)c1ccc(Br)cc1)C[C@@H]1CCC(=O)N1 ZINC000412096389 563648437 /nfs/dbraw/zinc/64/84/37/563648437.db2.gz YSIHYYJLFUPPTM-CJNGLKHVSA-N 1 0 396.329 2.615 20 0 GFADRO CCOC(=O)COc1c(Br)cc(C)cc1CN1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000435373014 563648645 /nfs/dbraw/zinc/64/86/45/563648645.db2.gz CSDWDTUCYMEGNR-UONOGXRCSA-N 1 0 399.329 2.869 20 0 GFADRO COc1cc(CN2CCCC[C@H]2C[NH3+])cc(I)c1OC ZINC000435376812 563648950 /nfs/dbraw/zinc/64/89/50/563648950.db2.gz VCNPNACOWYULAV-LBPRGKRZSA-N 1 0 390.265 2.622 20 0 GFADRO CNc1cc(I)ccc1C(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000412162426 563649283 /nfs/dbraw/zinc/64/92/83/563649283.db2.gz BDQMLGPWQWYPNC-JQWIXIFHSA-N 1 0 399.276 2.688 20 0 GFADRO CNc1cc(I)ccc1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000412160531 563649499 /nfs/dbraw/zinc/64/94/99/563649499.db2.gz QJFCSFDVCGAOFV-OLZOCXBDSA-N 1 0 399.276 2.642 20 0 GFADRO CCN(CCS(=O)(=O)c1cccc(Br)c1)[C@@H]1CCC[NH2+]CC1 ZINC000435618473 563654957 /nfs/dbraw/zinc/65/49/57/563654957.db2.gz YVEATICWDZBXOY-OAHLLOKOSA-N 1 0 389.359 2.687 20 0 GFADRO CCN(CC(=O)N(C)Cc1ccccc1Br)[C@@H]1CCC[NH2+]CC1 ZINC000435626508 563655524 /nfs/dbraw/zinc/65/55/24/563655524.db2.gz KRHUWSJNZCXSHJ-MRXNPFEDSA-N 1 0 382.346 2.872 20 0 GFADRO C[NH+](C)CCn1ccc(NC(=O)c2ccc(Br)c(Cl)c2F)n1 ZINC000435758127 563658244 /nfs/dbraw/zinc/65/82/44/563658244.db2.gz DTZFVSBWAHGBOK-UHFFFAOYSA-N 1 0 389.656 3.252 20 0 GFADRO O=C(NCCNc1cc[nH+]cc1)NCCc1cc(Cl)ccc1Br ZINC000435795998 563658957 /nfs/dbraw/zinc/65/89/57/563658957.db2.gz UTWQQJHLNOUYMT-UHFFFAOYSA-N 1 0 397.704 2.873 20 0 GFADRO CN1C[C@@H](C[NH2+][C@H](C(N)=O)c2cccc(Br)c2)Cc2ccccc21 ZINC000435990321 563662103 /nfs/dbraw/zinc/66/21/03/563662103.db2.gz AUISVVVBDYAHLG-ACJLOTCBSA-N 1 0 388.309 2.874 20 0 GFADRO Cc1ncsc1CN(CC(=O)Nc1ccc(Cl)cn1)C[C@H]1CC[NH2+]C1 ZINC000436047647 563663507 /nfs/dbraw/zinc/66/35/07/563663507.db2.gz ITTYFSGIGLAZKX-ZDUSSCGKSA-N 1 0 379.917 2.550 20 0 GFADRO Cc1ncsc1CCS(=O)(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000288984741 563663845 /nfs/dbraw/zinc/66/38/45/563663845.db2.gz BQERKGNWZXNFRK-QGZVFWFLSA-N 1 0 379.551 2.751 20 0 GFADRO C[NH+](C)C1(CNC(=O)c2nc3ccccc3cc2Br)CCOCC1 ZINC000289397615 563673868 /nfs/dbraw/zinc/67/38/68/563673868.db2.gz OFOJBPCRMHTKLK-UHFFFAOYSA-N 1 0 392.297 2.838 20 0 GFADRO CC[N@@H+]1CC[C@H](CNC(=O)C2(c3cccc(Br)c3)CC(=O)C2)C1 ZINC000289694249 563683521 /nfs/dbraw/zinc/68/35/21/563683521.db2.gz SQPAGHZDNVGKOE-CYBMUJFWSA-N 1 0 379.298 2.508 20 0 GFADRO C[C@@H](O)c1ncc(C[NH2+]C[C@H](CO)Cc2cccc(Br)c2)s1 ZINC000289697735 563683615 /nfs/dbraw/zinc/68/36/15/563683615.db2.gz NMDQJSVLVGCQSH-DGCLKSJQSA-N 1 0 385.327 2.900 20 0 GFADRO CN1CCO[C@H](c2nc(Cc3c[nH]c4cccc(Br)c34)no2)C1 ZINC000351274574 563684810 /nfs/dbraw/zinc/68/48/10/563684810.db2.gz LYLNNRSFIGNBFR-ZDUSSCGKSA-N 1 0 377.242 2.907 20 0 GFADRO COC(=O)[C@H]1CN(C(=O)N[C@H](C)c2cc(Cl)ccc2Cl)CC[N@H+](C)C1 ZINC000413192323 563685235 /nfs/dbraw/zinc/68/52/35/563685235.db2.gz FHNDBBLKCHKHEW-VXGBXAGGSA-N 1 0 388.295 2.801 20 0 GFADRO Cc1ccc(C[N@@H+]2CCC[C@H]2C[C@]2(C)NC(=O)NC2=O)cc1Br ZINC000289857932 563689401 /nfs/dbraw/zinc/68/94/01/563689401.db2.gz VIMFSOSZLGBQQV-GUYCJALGSA-N 1 0 380.286 2.710 20 0 GFADRO C[N@@H+]1CC[C@H](CNS(=O)(=O)CC2CCOCC2)[C@@H]1c1cccc(Cl)c1 ZINC000361035187 563695900 /nfs/dbraw/zinc/69/59/00/563695900.db2.gz YRDSXAINTVLBPT-AEFFLSMTSA-N 1 0 386.945 2.679 20 0 GFADRO Cn1cc(C[N@H+](C)CCn2cc(Br)cn2)c(-c2ccncc2)n1 ZINC000290067353 563696769 /nfs/dbraw/zinc/69/67/69/563696769.db2.gz FPOOASGJERQONX-UHFFFAOYSA-N 1 0 375.274 2.573 20 0 GFADRO Cn1ccc(N2CC[C@@H]([NH2+][C@H]3CCc4c3cc(Br)cc4F)C2=O)n1 ZINC000361145361 563696851 /nfs/dbraw/zinc/69/68/51/563696851.db2.gz WCWHXJLLDNHELB-LSDHHAIUSA-N 1 0 393.260 2.704 20 0 GFADRO CC(C)C(=O)N1CCC([NH2+]Cc2cn3ccc(Br)cc3n2)CC1 ZINC000290055709 563696843 /nfs/dbraw/zinc/69/68/43/563696843.db2.gz XKDSQOWERDHASR-UHFFFAOYSA-N 1 0 379.302 2.833 20 0 GFADRO OC[C@H](C[NH2+]Cc1cc(Br)cc(Br)c1)[C@H]1CCOC1 ZINC000290083740 563697292 /nfs/dbraw/zinc/69/72/92/563697292.db2.gz JCMWENVFCPOWQR-RYUDHWBXSA-N 1 0 393.119 2.946 20 0 GFADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000437803751 563699203 /nfs/dbraw/zinc/69/92/03/563699203.db2.gz TWHBSIPLRCXMBA-YLQAJVPDSA-N 1 0 385.339 2.784 20 0 GFADRO [NH3+][C@@H]1CC[C@H](C(=O)N2CCC[C@@H]2C(=O)Nc2ccc(Br)cc2)C1 ZINC000361968716 563701909 /nfs/dbraw/zinc/70/19/09/563701909.db2.gz PAXCZOHJPCZGOO-NJZAAPMLSA-N 1 0 380.286 2.506 20 0 GFADRO C[C@@H](C[NH2+][C@@H]1CCN(c2ccn(C)n2)C1=O)c1cccc(Br)c1 ZINC000362035406 563702908 /nfs/dbraw/zinc/70/29/08/563702908.db2.gz ZZLRZWNVROLYFL-SWLSCSKDSA-N 1 0 377.286 2.681 20 0 GFADRO COc1ccc(C[N@@H+]2CCCC[C@H]2[C@@H]2CNC(=O)C2)c(Br)c1OC ZINC000362080681 563703529 /nfs/dbraw/zinc/70/35/29/563703529.db2.gz TVCNBCKRARHQNJ-KBPBESRZSA-N 1 0 397.313 2.957 20 0 GFADRO CN(C)S(=O)(=O)CC[NH2+][C@@H]1CCCc2nc(-c3ccc(F)cc3)sc21 ZINC000290298662 563704057 /nfs/dbraw/zinc/70/40/57/563704057.db2.gz YPVLJHUOQPKDIB-CQSZACIVSA-N 1 0 383.514 2.808 20 0 GFADRO C[N@@H+]1CC[C@H](NC(=O)c2c[nH]c(=O)c(Br)c2)[C@H]1c1ccc(F)cc1 ZINC000362144144 563704551 /nfs/dbraw/zinc/70/45/51/563704551.db2.gz ZTALRGTUGKSXCF-LSDHHAIUSA-N 1 0 394.244 2.864 20 0 GFADRO Cc1ccc(C(=O)N2CC[C@@H]3CC[N@@H+](C)[C@H]3C2)cc1I ZINC000362472064 563706927 /nfs/dbraw/zinc/70/69/27/563706927.db2.gz INBDPLZCQQFRNK-WFASDCNBSA-N 1 0 384.261 2.766 20 0 GFADRO CC[N@@H+]1CC[C@H](NC(=O)N(CCOC)Cc2ccc(Br)s2)C1 ZINC000413860629 563707941 /nfs/dbraw/zinc/70/79/41/563707941.db2.gz OXKXRSRMJNOBKJ-LBPRGKRZSA-N 1 0 390.347 2.763 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)c1ccc(Br)c(F)c1 ZINC000362796812 563709286 /nfs/dbraw/zinc/70/92/86/563709286.db2.gz KKKIOIXACGSZBZ-WQVCFCJDSA-N 1 0 385.277 2.912 20 0 GFADRO CCN(Cc1ccccc1Br)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000438694194 563709486 /nfs/dbraw/zinc/70/94/86/563709486.db2.gz INZVPXDKOITGOY-UHFFFAOYSA-N 1 0 394.317 3.261 20 0 GFADRO O[C@@H](C[NH2+]C1(c2ccc(Br)cc2)CCCC1)CN1CCOCC1 ZINC000438754707 563709626 /nfs/dbraw/zinc/70/96/26/563709626.db2.gz JYDBPQXGPOKTCB-KRWDZBQOSA-N 1 0 383.330 2.501 20 0 GFADRO COC(=O)[C@H]1CN(C(=O)[C@@H]2C[C@@H]2c2cc(Cl)cc(Cl)c2)CC[N@H+](C)C1 ZINC000413893394 563709998 /nfs/dbraw/zinc/70/99/98/563709998.db2.gz AVOYWIVAQSRBGZ-DAXOMENPSA-N 1 0 385.291 2.660 20 0 GFADRO COC(=O)[C@H]1CN(C(=O)[C@H]2C[C@H]2c2cccc(Cl)c2Cl)CC[N@H+](C)C1 ZINC000413915267 563710647 /nfs/dbraw/zinc/71/06/47/563710647.db2.gz HLGLRPPYBVVXQL-XBFCOCLRSA-N 1 0 385.291 2.660 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)C1(c2cccc(Br)c2)CC(=O)C1 ZINC000438789845 563711029 /nfs/dbraw/zinc/71/10/29/563711029.db2.gz JNERRRNXQMRJTI-OAHLLOKOSA-N 1 0 379.298 2.650 20 0 GFADRO COC(=O)[C@H]1CN(C(=O)[C@H]2C[C@@H]2c2ccc(Cl)cc2Cl)CC[N@H+](C)C1 ZINC000413922198 563711386 /nfs/dbraw/zinc/71/13/86/563711386.db2.gz PGALMBKPTBHBLW-DFBGVHRSSA-N 1 0 385.291 2.660 20 0 GFADRO C[C@@H]1C[N@@H+](C[C@H](O)Cn2ccnc2-c2cccc(Br)c2)C[C@H](C)O1 ZINC000438829837 563711716 /nfs/dbraw/zinc/71/17/16/563711716.db2.gz RUDOHSZMFXOQAI-VBQJREDUSA-N 1 0 394.313 2.783 20 0 GFADRO CCN1CCC([N@H+](C)C[C@@H](O)COc2cc(F)cc(Br)c2)CC1 ZINC000438850028 563712624 /nfs/dbraw/zinc/71/26/24/563712624.db2.gz UATMMORTMGPSPW-MRXNPFEDSA-N 1 0 389.309 2.744 20 0 GFADRO CC[C@H](C(=O)Nc1cc(Br)c(F)cc1N1CCOCC1)[NH+](C)C ZINC000414010112 563715101 /nfs/dbraw/zinc/71/51/01/563715101.db2.gz XZXSLEQKXUENBG-CQSZACIVSA-N 1 0 388.281 2.704 20 0 GFADRO O=C(c1c(F)cccc1Br)N1CCC[N@@H+](C2CCOCC2)CC1 ZINC000363158228 563715461 /nfs/dbraw/zinc/71/54/61/563715461.db2.gz VJXXGJYTXWZOFZ-UHFFFAOYSA-N 1 0 385.277 2.915 20 0 GFADRO C[C@@H](CC(=O)c1cccc(Br)c1)C(=O)NCCNc1cc[nH+]cc1 ZINC000439045013 563716134 /nfs/dbraw/zinc/71/61/34/563716134.db2.gz RCLLAJNVIZZSDW-ZDUSSCGKSA-N 1 0 390.281 2.703 20 0 GFADRO CC[NH+](CC)CC[C@H](CO)NC(=O)Nc1cc(F)c(Br)cc1F ZINC000439029023 563716281 /nfs/dbraw/zinc/71/62/81/563716281.db2.gz PSBKVYXMKOXSNT-SNVBAGLBSA-N 1 0 394.260 2.942 20 0 GFADRO COc1ccc(OC)c(C[NH2+][C@H](C)Cn2cc(Br)ccc2=O)c1 ZINC000414053385 563716684 /nfs/dbraw/zinc/71/66/84/563716684.db2.gz AUWBBFAWPLTGQG-GFCCVEGCSA-N 1 0 381.270 2.806 20 0 GFADRO CSC[C@H](CCO)NC(=O)NC[C@H]1CC[N@H+](C)[C@H]1c1cccc(Cl)c1 ZINC000363251928 563717396 /nfs/dbraw/zinc/71/73/96/563717396.db2.gz MBSATGYJEFNJKL-PVAVHDDUSA-N 1 0 385.961 2.746 20 0 GFADRO CC1(C)[NH2+]CC[C@@H]1NC(=O)Nc1ccc(F)cc1I ZINC000415255385 563764322 /nfs/dbraw/zinc/76/43/22/563764322.db2.gz VDRPATXGNYNJQU-NSHDSACASA-N 1 0 377.201 2.692 20 0 GFADRO CC[C@@H]1C[N@H+](C)CCCN1S(=O)(=O)N(C)Cc1c(F)cccc1Cl ZINC000439213060 563719967 /nfs/dbraw/zinc/71/99/67/563719967.db2.gz HOPNLCDVNDCWIQ-CYBMUJFWSA-N 1 0 377.913 2.572 20 0 GFADRO Cc1c([C@H](C)[NH2+]CCc2cn(C)cn2)nnn1-c1cccc(Br)c1 ZINC000414129420 563720206 /nfs/dbraw/zinc/72/02/06/563720206.db2.gz UYGDYXSDNZQVIC-LBPRGKRZSA-N 1 0 389.301 2.965 20 0 GFADRO COc1ccc(C[C@H](CO)C[NH2+][C@@H](C)c2ccn(C)n2)cc1Br ZINC000414154373 563720949 /nfs/dbraw/zinc/72/09/49/563720949.db2.gz TVMNJVKXAHQKTI-JSGCOSHPSA-N 1 0 382.302 2.693 20 0 GFADRO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]Cc1cccc(N2CCC2=O)c1 ZINC000414156921 563721226 /nfs/dbraw/zinc/72/12/26/563721226.db2.gz VPWLSTRVBSZFPJ-ZDUSSCGKSA-N 1 0 390.281 2.526 20 0 GFADRO CCCC[N@H+](C)C[C@H](C)NC(=O)C[C@](O)(c1nc(C)cs1)C(F)(F)F ZINC000290802526 563722185 /nfs/dbraw/zinc/72/21/85/563722185.db2.gz DTIHAIJHLIBSDZ-NHYWBVRUSA-N 1 0 381.464 2.828 20 0 GFADRO C[C@H]1CN(C(=O)Nc2cccc(F)c2I)CC[C@@H]1[NH3+] ZINC000415359233 563770671 /nfs/dbraw/zinc/77/06/71/563770671.db2.gz KMYSSPZBROQPQN-WPRPVWTQSA-N 1 0 377.201 2.631 20 0 GFADRO O[C@H](COc1cc(F)cc(Br)c1)C[N@@H+]1CC[C@H]([C@H]2CCOC2)C1 ZINC000439429503 563723927 /nfs/dbraw/zinc/72/39/27/563723927.db2.gz HWEZGHAJXVJSLK-XEZPLFJOSA-N 1 0 388.277 2.686 20 0 GFADRO C[N@H+](CCOCC1CC1)C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000439439114 563724363 /nfs/dbraw/zinc/72/43/63/563724363.db2.gz LKAIBYIYLTZJSP-OAHLLOKOSA-N 1 0 376.266 2.686 20 0 GFADRO COC[C@@H]1CCC[N@H+](C[C@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000439436172 563724438 /nfs/dbraw/zinc/72/44/38/563724438.db2.gz HRGAKYINNMAYPP-DOMZBBRYSA-N 1 0 376.266 2.686 20 0 GFADRO O[C@@H](COc1ccccc1)C[NH+]1CCC(n2cc(Br)cn2)CC1 ZINC000363496622 563724652 /nfs/dbraw/zinc/72/46/52/563724652.db2.gz QSDFCGAMXGKPNW-MRXNPFEDSA-N 1 0 380.286 2.722 20 0 GFADRO CC[C@@H](C)[N@H+](C)CCNC(=O)N1CCC(n2cc(Br)cn2)CC1 ZINC000363513201 563724722 /nfs/dbraw/zinc/72/47/22/563724722.db2.gz ZIJWMYOATUUNKM-CYBMUJFWSA-N 1 0 386.338 2.722 20 0 GFADRO C[C@]1([NH2+]C[C@H](O)COc2cc(F)cc(Br)c2)CCO[C@@H]1C1CC1 ZINC000439435325 563724924 /nfs/dbraw/zinc/72/49/24/563724924.db2.gz GMSSXCMRUOIULQ-UAGQMJEPSA-N 1 0 388.277 2.875 20 0 GFADRO COC1([C@@H](C)[NH2+][C@@H](C)c2ccc(Br)c(S(N)(=O)=O)c2)CCC1 ZINC000414298141 563725418 /nfs/dbraw/zinc/72/54/18/563725418.db2.gz GRIYDVAGIMCJSR-WDEREUQCSA-N 1 0 391.331 2.705 20 0 GFADRO O=C(CCC[NH2+]Cc1c(Br)cncc1Br)NC1CC1 ZINC000290895308 563725721 /nfs/dbraw/zinc/72/57/21/563725721.db2.gz NIJXGUDMSIKUNK-UHFFFAOYSA-N 1 0 391.107 2.755 20 0 GFADRO C[C@H]([NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1)[C@@H]1CCCOC1 ZINC000439453553 563725780 /nfs/dbraw/zinc/72/57/80/563725780.db2.gz KZWFUHDOSOZNJE-YWPYICTPSA-N 1 0 376.266 2.733 20 0 GFADRO CN(C)c1ncc(C[NH2+][C@H]2CCN(c3ccc(Br)cc3)C2)n1C ZINC000414328077 563726814 /nfs/dbraw/zinc/72/68/14/563726814.db2.gz PQFLLOSETJOXDV-AWEZNQCLSA-N 1 0 378.318 2.617 20 0 GFADRO COc1cccc(N2CC[C@@H](C[NH2+]Cc3ccc(S(C)(=O)=O)s3)C2)c1 ZINC000414334661 563727548 /nfs/dbraw/zinc/72/75/48/563727548.db2.gz GDLJGKDEAMKLFR-AWEZNQCLSA-N 1 0 380.535 2.776 20 0 GFADRO CC(C)[C@H](NC(=O)c1ccccc1Br)C(=O)NCC[NH2+]C(C)(C)C ZINC000439511850 563727547 /nfs/dbraw/zinc/72/75/47/563727547.db2.gz JYGSAHXMPKEKKM-HNNXBMFYSA-N 1 0 398.345 2.708 20 0 GFADRO COCCC[N@@H+]1CCCN([C@@H](C)C(=O)Nc2cccc(Br)c2)CC1 ZINC000363637788 563728341 /nfs/dbraw/zinc/72/83/41/563728341.db2.gz DHCOVFHOWSFSLX-HNNXBMFYSA-N 1 0 398.345 2.820 20 0 GFADRO O=C1OCCN1CCC[NH2+]Cc1c(Br)cncc1Br ZINC000290987163 563728802 /nfs/dbraw/zinc/72/88/02/563728802.db2.gz ZGQDQQLUJISIFO-UHFFFAOYSA-N 1 0 393.079 2.539 20 0 GFADRO CN(C)c1ncc(C[NH2+]C(C)(C)COc2ncccc2Br)n1C ZINC000414356901 563729479 /nfs/dbraw/zinc/72/94/79/563729479.db2.gz AHXSHKROYOPHKL-UHFFFAOYSA-N 1 0 382.306 2.591 20 0 GFADRO CCO[C@@H](CC[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1)C(C)C ZINC000414367707 563730108 /nfs/dbraw/zinc/73/01/08/563730108.db2.gz SECGYBBMCXPGRJ-AWEZNQCLSA-N 1 0 393.347 2.637 20 0 GFADRO CC[NH+](CC)CCN(CC(C)C)C(=O)c1cc2c(s1)CCS(=O)(=O)C2 ZINC000363695035 563731088 /nfs/dbraw/zinc/73/10/88/563731088.db2.gz FWVILBYIQFOULF-UHFFFAOYSA-N 1 0 386.583 2.659 20 0 GFADRO C[C@H]1CCC[N@H+](CCNC(=O)C(=O)Nc2cc(Cl)c(Cl)cc2F)C1 ZINC000439752267 563731197 /nfs/dbraw/zinc/73/11/97/563731197.db2.gz TULQZTHCKMPAQU-JTQLQIEISA-N 1 0 376.259 2.919 20 0 GFADRO C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1NC(=O)Nc1ccc(Br)nc1 ZINC000363759725 563732048 /nfs/dbraw/zinc/73/20/48/563732048.db2.gz XALAYWVPGIUSQJ-SNPRPXQTSA-N 1 0 397.317 2.855 20 0 GFADRO Cc1ccc(S(=O)(=O)N2CCN(C)c3cc[nH+]cc32)cc1Br ZINC000439881376 563732572 /nfs/dbraw/zinc/73/25/72/563732572.db2.gz VRTXQZGIUDZCII-UHFFFAOYSA-N 1 0 382.283 2.798 20 0 GFADRO C[C@H]1Cc2cc(S(=O)(=O)N3CCN(C)c4cc[nH+]cc43)cc(Cl)c2O1 ZINC000439917260 563733165 /nfs/dbraw/zinc/73/31/65/563733165.db2.gz SOPBYQQORZEMET-NSHDSACASA-N 1 0 379.869 2.704 20 0 GFADRO CCC[N@H+](CC)C[C@@H](C)NC(=O)N[C@H]1C[C@H](C)S(=O)(=O)c2sccc21 ZINC000291201012 563734328 /nfs/dbraw/zinc/73/43/28/563734328.db2.gz KDITUVINJRDTIP-IPYPFGDCSA-N 1 0 387.571 2.775 20 0 GFADRO CC[NH+](CC)C[C@H](C)NS(=O)(=O)c1cc(F)c(Br)cc1OC ZINC000440070890 563735486 /nfs/dbraw/zinc/73/54/86/563735486.db2.gz ANVSVCAIURHBJM-JTQLQIEISA-N 1 0 397.310 2.605 20 0 GFADRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NS(=O)(=O)c1ccc(Br)cc1 ZINC000440083725 563736452 /nfs/dbraw/zinc/73/64/52/563736452.db2.gz UVTNSXLTJDYRFN-OLZOCXBDSA-N 1 0 375.332 2.848 20 0 GFADRO Cc1c(Br)cccc1S(=O)(=O)NCCC[NH2+]Cc1cccnc1 ZINC000440366248 563740297 /nfs/dbraw/zinc/74/02/97/563740297.db2.gz RJIZPRUUMICTIT-UHFFFAOYSA-N 1 0 398.326 2.611 20 0 GFADRO COC(=O)[C@@H]1CN(CC2=Cc3cc(Cl)cc(Cl)c3OC2)CC[N@H+](C)C1 ZINC000414495940 563744310 /nfs/dbraw/zinc/74/43/10/563744310.db2.gz XZFZMRBFBCSFCB-AWEZNQCLSA-N 1 0 385.291 2.806 20 0 GFADRO O=C(NC[C@@H]1CCC[NH2+]1)[C@H]1CCCN1c1ncc(C(F)(F)F)cc1Cl ZINC000364145239 563744568 /nfs/dbraw/zinc/74/45/68/563744568.db2.gz XIYJXMWKPAJGBD-WCQYABFASA-N 1 0 376.810 2.591 20 0 GFADRO Cn1c(CN2CC[NH+]([C@H]3CCSC3)CC2)nnc1-c1ccc(Cl)cc1 ZINC000364195438 563745274 /nfs/dbraw/zinc/74/52/74/563745274.db2.gz CFTVUIOGVQKWAK-INIZCTEOSA-N 1 0 377.945 2.759 20 0 GFADRO CC(C)(CC[NH2+]Cc1cc(Br)cc2c1OCC2)S(C)(=O)=O ZINC000414520594 563746077 /nfs/dbraw/zinc/74/60/77/563746077.db2.gz ZVDZRHKEPUFQJA-UHFFFAOYSA-N 1 0 376.316 2.687 20 0 GFADRO C[N@@H+]1CCN(CCNc2ccc3cccc(Br)c3n2)CC1(C)C ZINC000440656376 563746371 /nfs/dbraw/zinc/74/63/71/563746371.db2.gz YFWVBFCOUUXZEC-UHFFFAOYSA-N 1 0 377.330 3.435 20 0 GFADRO OC[C@@H]1C[N@H+](Cc2cnc(-c3ccc(Br)cc3)s2)CC[C@@H]1O ZINC000414562795 563746853 /nfs/dbraw/zinc/74/68/53/563746853.db2.gz VLMLACFWXABEIA-WFASDCNBSA-N 1 0 383.311 2.748 20 0 GFADRO [NH3+]CC[C@H]1CCCN(C(=O)Nc2nnc(SCc3ccccc3)s2)C1 ZINC000414696156 563750016 /nfs/dbraw/zinc/75/00/16/563750016.db2.gz BCPMDOZRTMSEIP-CYBMUJFWSA-N 1 0 377.539 3.423 20 0 GFADRO C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)Nc1ccc(I)cc1 ZINC000414683071 563750232 /nfs/dbraw/zinc/75/02/32/563750232.db2.gz SLNIFQCIUGIWDP-BXKDBHETSA-N 1 0 389.237 2.526 20 0 GFADRO C[C@H]1CN(C(=O)Nc2ccc(I)cc2Cl)CC[NH2+]1 ZINC000414791195 563752675 /nfs/dbraw/zinc/75/26/75/563752675.db2.gz HHYYNZOTIYWWNM-QMMMGPOBSA-N 1 0 379.629 2.770 20 0 GFADRO O=C(Nc1cc(Br)ccc1Br)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000414779774 563752893 /nfs/dbraw/zinc/75/28/93/563752893.db2.gz KGTGBZJBOZCMCI-DTORHVGOSA-N 1 0 389.091 2.895 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)Nc2cc(Cl)ccc2OCC(F)(F)F)CCCO1 ZINC000414796953 563752898 /nfs/dbraw/zinc/75/28/98/563752898.db2.gz YHJIXOVBLXVASR-NSHDSACASA-N 1 0 381.782 2.863 20 0 GFADRO O=C(Nc1ccc(I)cc1Cl)NC1CC[NH2+]CC1 ZINC000414801052 563753423 /nfs/dbraw/zinc/75/34/23/563753423.db2.gz SYWMBNGUNXWQJK-UHFFFAOYSA-N 1 0 379.629 2.818 20 0 GFADRO [NH3+]CC[C@H](NC(=O)Nc1ccc(OC(F)F)cc1OC(F)F)C(F)F ZINC000414878276 563753560 /nfs/dbraw/zinc/75/35/60/563753560.db2.gz YYQURWFRZRTKLZ-QMMMGPOBSA-N 1 0 375.269 2.993 20 0 GFADRO C[NH+]1CCC(CC(=O)N[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)CC1 ZINC000291682369 563753655 /nfs/dbraw/zinc/75/36/55/563753655.db2.gz MYXXAXJKDWAUKX-MRXNPFEDSA-N 1 0 384.307 2.947 20 0 GFADRO COC[C@@]1(CN[C@H](C)CC(=O)Nc2ccc(Br)cc2)CCC[NH2+]1 ZINC000414939660 563754314 /nfs/dbraw/zinc/75/43/14/563754314.db2.gz GSAKEIOCVSVYKK-DYVFJYSZSA-N 1 0 384.318 2.524 20 0 GFADRO CCC([NH3+])(CC)CNC(=O)Nc1cc(OC)ccc1I ZINC000415072819 563757643 /nfs/dbraw/zinc/75/76/43/563757643.db2.gz MYDUDVCRTQPMIS-UHFFFAOYSA-N 1 0 391.253 2.939 20 0 GFADRO [NH3+]CC[C@@H](NCc1cc(Br)c2c(c1)OCCCO2)C(F)(F)F ZINC000415058961 563758137 /nfs/dbraw/zinc/75/81/37/563758137.db2.gz SMYUYCHAVZBUMH-GFCCVEGCSA-N 1 0 383.208 2.980 20 0 GFADRO O=C(Nc1ccc(CCn2cc(Br)cn2)cc1)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000364592371 563758487 /nfs/dbraw/zinc/75/84/87/563758487.db2.gz TZUDFIOEELSXSM-FUHWJXTLSA-N 1 0 389.297 2.826 20 0 GFADRO C[C@@H]1CN(C(=O)Nc2cc(Br)ccc2-n2cccn2)[C@H](C)C[NH2+]1 ZINC000415160417 563761376 /nfs/dbraw/zinc/76/13/76/563761376.db2.gz LGOPVIXGXGXDAR-VXGBXAGGSA-N 1 0 378.274 2.849 20 0 GFADRO CC[NH2+]CCNC(=O)Nc1cc(Br)cnc1OCC(F)(F)F ZINC000415179364 563761891 /nfs/dbraw/zinc/76/18/91/563761891.db2.gz UIWHKXMMFWHGDU-UHFFFAOYSA-N 1 0 385.184 2.516 20 0 GFADRO O=C(Nc1ncc(Cc2cccc(Br)c2)s1)N1CC[NH2+]CC1 ZINC000415232795 563762992 /nfs/dbraw/zinc/76/29/92/563762992.db2.gz TYGCLNYPTSVFPB-UHFFFAOYSA-N 1 0 381.299 2.934 20 0 GFADRO O=S(=O)(CC[N@@H+]1CC[C@H]([C@H]2CCOC2)C1)c1ccc(Br)cc1 ZINC000441668522 563763798 /nfs/dbraw/zinc/76/37/98/563763798.db2.gz OPKUJXLQUVFTIL-KBPBESRZSA-N 1 0 388.327 2.581 20 0 GFADRO CC(=O)N[C@H](CC(=O)N(C)[C@H]1CCC[NH2+]CC1)c1ccc(Br)cc1 ZINC000364779354 563763811 /nfs/dbraw/zinc/76/38/11/563763811.db2.gz RIOIHINURDMPNP-DLBZAZTESA-N 1 0 396.329 2.617 20 0 GFADRO C[C@@]1(C[NH3+])CCN(C(=O)Nc2ccc(F)cc2I)C1 ZINC000415253909 563764357 /nfs/dbraw/zinc/76/43/57/563764357.db2.gz RLEDPDVRJKZSAW-ZDUSSCGKSA-N 1 0 377.201 2.633 20 0 GFADRO CC(C)C[C@@H](C[NH3+])NC(=O)Nc1ccc(F)cc1I ZINC000415253307 563764378 /nfs/dbraw/zinc/76/43/78/563764378.db2.gz PPDPFMUUSIVUPY-JTQLQIEISA-N 1 0 379.217 2.925 20 0 GFADRO CN(C(=O)c1cnn(-c2cccc(Br)c2)c1)[C@H]1CCC[NH2+]CC1 ZINC000364800552 563764553 /nfs/dbraw/zinc/76/45/53/563764553.db2.gz OEDRAFHAQOLVCL-HNNXBMFYSA-N 1 0 377.286 2.849 20 0 GFADRO O=C(Nc1cc(I)ccc1Cl)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000415265304 563764834 /nfs/dbraw/zinc/76/48/34/563764834.db2.gz KFPUOFHBSQWYIL-PELKAZGASA-N 1 0 391.640 2.770 20 0 GFADRO O=C(Nc1ccc(Cl)cc1I)NC1CC[NH2+]CC1 ZINC000415279064 563765329 /nfs/dbraw/zinc/76/53/29/563765329.db2.gz CHQILZYBGZFPEG-UHFFFAOYSA-N 1 0 379.629 2.818 20 0 GFADRO Cc1csc(Sc2ccc(NC(=O)C(=O)N3CC[NH2+]CC3)cc2Cl)n1 ZINC000415278889 563765380 /nfs/dbraw/zinc/76/53/80/563765380.db2.gz BWXKOXGNMKTYEX-UHFFFAOYSA-N 1 0 396.925 2.626 20 0 GFADRO O=C(Nc1ccc(Cl)cc1C(F)(F)F)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000441975186 563766422 /nfs/dbraw/zinc/76/64/22/563766422.db2.gz JLVFQDRKMATUCB-JTQLQIEISA-N 1 0 375.778 2.650 20 0 GFADRO C[C@H]1[C@H](NC(=O)c2c[nH]c(=O)c(Br)c2)CC[N@@H+]1Cc1ccccc1 ZINC000291964592 563766722 /nfs/dbraw/zinc/76/67/22/563766722.db2.gz WXCMKAJPDMPWEX-BLLLJJGKSA-N 1 0 390.281 2.943 20 0 GFADRO CCN1CC[NH+](C[C@H](C)CNC(=O)[C@@H](C)c2cccc(Br)c2)CC1 ZINC000291962098 563766733 /nfs/dbraw/zinc/76/67/33/563766733.db2.gz RNIFQKNBJXAQQV-CVEARBPZSA-N 1 0 396.373 2.942 20 0 GFADRO Cc1cc(Br)cc(Cl)c1NC(=O)C(=O)N1CCC(C[NH3+])CC1 ZINC000415307861 563766933 /nfs/dbraw/zinc/76/69/33/563766933.db2.gz WMDIEYRSYZNRCB-UHFFFAOYSA-N 1 0 388.693 2.547 20 0 GFADRO O=C([C@@H]1CCC[NH2+]C1)N1CCC[C@H]1c1ccccc1I ZINC000364884728 563767342 /nfs/dbraw/zinc/76/73/42/563767342.db2.gz DRZJOCFDUVPQJY-DOMZBBRYSA-N 1 0 384.261 2.954 20 0 GFADRO COC(=O)C[C@@H](NC(=O)CC[C@@H]1CCC[NH2+]1)c1ccc(Br)cc1 ZINC000291980607 563767568 /nfs/dbraw/zinc/76/75/68/563767568.db2.gz YTMZMSLOOWVAJL-LSDHHAIUSA-N 1 0 383.286 2.702 20 0 GFADRO CCOC(=O)c1cc(Br)ccc1NC(=O)N[C@H]1CC[NH2+]C1(C)C ZINC000415343740 563767988 /nfs/dbraw/zinc/76/79/88/563767988.db2.gz CCDHKVUYCOJIAU-ZDUSSCGKSA-N 1 0 384.274 2.888 20 0 GFADRO CCOC(=O)c1c(NC(=O)N2CCC[C@H]([NH2+]C)C2)sc2c1CCSC2 ZINC000415342321 563768186 /nfs/dbraw/zinc/76/81/86/563768186.db2.gz QLOIJYZVRZXHLS-NSHDSACASA-N 1 0 383.539 2.930 20 0 GFADRO C[C@H](NC(=O)C(=O)Nc1cccc(Cl)c1Br)[C@@H]1CCC[NH2+]C1 ZINC000415345542 563768773 /nfs/dbraw/zinc/76/87/73/563768773.db2.gz ARXPPBDCJIJWQG-VHSXEESVSA-N 1 0 388.693 2.545 20 0 GFADRO C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)Nc1cc(F)c(Br)cc1F ZINC000415348659 563768981 /nfs/dbraw/zinc/76/89/81/563768981.db2.gz FMMWTOSTRDWVBH-MADCSZMMSA-N 1 0 378.217 2.962 20 0 GFADRO C[C@@H]1CN(C(=O)Nc2cccc(F)c2I)[C@@H](C)C[NH2+]1 ZINC000415352820 563769367 /nfs/dbraw/zinc/76/93/67/563769367.db2.gz CAGYXNJELXTJEO-BDAKNGLRSA-N 1 0 377.201 2.644 20 0 GFADRO Cc1ccc(-c2csc(NC(=O)C(=O)N[C@@H](C)[C@H]3CCC[NH2+]C3)n2)s1 ZINC000415351563 563769453 /nfs/dbraw/zinc/76/94/53/563769453.db2.gz JQRXZRIDYYIXIY-RYUDHWBXSA-N 1 0 378.523 2.623 20 0 GFADRO CC1(C)[NH2+]CC[C@H]1NC(=O)Nc1cnn(-c2ccccc2Br)c1 ZINC000415352346 563769550 /nfs/dbraw/zinc/76/95/50/563769550.db2.gz KHVKULIKRXBMSU-CQSZACIVSA-N 1 0 378.274 2.897 20 0 GFADRO CCOC(=O)c1cc(Br)ccc1NC(=O)NCCC[NH2+]C1CC1 ZINC000415353960 563770085 /nfs/dbraw/zinc/77/00/85/563770085.db2.gz RMZSZHGFOGUABG-UHFFFAOYSA-N 1 0 384.274 2.889 20 0 GFADRO Cc1nn(C)c(NC(=O)NC[C@H](C)C[NH3+])c1-c1ccc(Br)cc1 ZINC000415360362 563770742 /nfs/dbraw/zinc/77/07/42/563770742.db2.gz LWAVIGVKZZTANG-SNVBAGLBSA-N 1 0 380.290 2.874 20 0 GFADRO O=C(NC[C@H]1CCC[NH2+]C1)Nc1cccc(F)c1I ZINC000415363465 563770757 /nfs/dbraw/zinc/77/07/57/563770757.db2.gz QJUBOIWDKFHFOY-VIFPVBQESA-N 1 0 377.201 2.551 20 0 GFADRO C[NH2+][C@H]1CCCN(C(=O)Nc2cnn(-c3ccccc3Br)c2)C1 ZINC000415359354 563770763 /nfs/dbraw/zinc/77/07/63/563770763.db2.gz WGKHBKASMZTTJM-LBPRGKRZSA-N 1 0 378.274 2.851 20 0 GFADRO O=C(NC[C@@H]1CCC[NH2+]1)C(=O)Nc1cc(Cl)ccc1SCC(F)(F)F ZINC000415371883 563771376 /nfs/dbraw/zinc/77/13/76/563771376.db2.gz GCDDGKHVBUDAQZ-JTQLQIEISA-N 1 0 395.834 2.801 20 0 GFADRO Cc1cccc(C(=O)N2CC[C@@]3(CCC[C@H]3[NH3+])C2)c1I ZINC000365084394 563773124 /nfs/dbraw/zinc/77/31/24/563773124.db2.gz KAPBTWOAVHTFTM-CJNGLKHVSA-N 1 0 384.261 2.943 20 0 GFADRO O=C(NCC[C@H]1CCC[NH2+]C1)C(=O)Nc1ccc(Br)cc1Cl ZINC000415408367 563773146 /nfs/dbraw/zinc/77/31/46/563773146.db2.gz HCENUQOZNOEMSI-SNVBAGLBSA-N 1 0 388.693 2.547 20 0 GFADRO C[C@H]([NH2+][C@@H](CO)c1ccc(Br)cc1)C(=O)NCc1ccccc1 ZINC000292087972 563773195 /nfs/dbraw/zinc/77/31/95/563773195.db2.gz FELZMLGBKXWHBF-GUYCJALGSA-N 1 0 377.282 2.777 20 0 GFADRO COC(=O)c1cc(NC(=O)N2CCC[C@H](C)[C@H]2C[NH3+])ccc1Br ZINC000415414431 563773574 /nfs/dbraw/zinc/77/35/74/563773574.db2.gz ZODLWQGHTLXJHO-IINYFYTJSA-N 1 0 384.274 2.827 20 0 GFADRO COC(=O)c1cc(NC(=O)N2CCC3(C2)CC[NH2+]CC3)ccc1Br ZINC000415413546 563773712 /nfs/dbraw/zinc/77/37/12/563773712.db2.gz YXBPKNBSKQASHQ-UHFFFAOYSA-N 1 0 396.285 2.843 20 0 GFADRO [NH3+]CC[C@@H]1CCCN(C(=O)[C@@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)C1 ZINC000442620612 563775705 /nfs/dbraw/zinc/77/57/05/563775705.db2.gz SVHCHAVKJSBRHB-JSGCOSHPSA-N 1 0 384.307 2.934 20 0 GFADRO COC(=O)c1cc(Br)c(F)cc1NC(=O)N1C[C@H](C[NH3+])C[C@@H]1C ZINC000415470112 563777642 /nfs/dbraw/zinc/77/76/42/563777642.db2.gz NKDSMDLHIQLVSF-IUCAKERBSA-N 1 0 388.237 2.576 20 0 GFADRO CC(C)C[C@H](C[NH3+])NC(=O)Nc1cc(Br)cnc1-n1cccn1 ZINC000415482500 563778435 /nfs/dbraw/zinc/77/84/35/563778435.db2.gz LRKDILCXPGBIES-GFCCVEGCSA-N 1 0 381.278 2.525 20 0 GFADRO [NH3+]CC1CCN(C(=O)Nc2nnc(-c3cccc(Br)c3)s2)CC1 ZINC000415492165 563779043 /nfs/dbraw/zinc/77/90/43/563779043.db2.gz AQMHUOPBIZYSLP-UHFFFAOYSA-N 1 0 396.314 3.170 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)Nc2nnc(-c3cccc(Br)c3)s2)CC[NH2+]1 ZINC000415500440 563779822 /nfs/dbraw/zinc/77/98/22/563779822.db2.gz MZJAKCNYRXQSMA-SKDRFNHKSA-N 1 0 396.314 3.230 20 0 GFADRO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)Nc1cccnc1-c1ccc(Cl)s1 ZINC000415505778 563780351 /nfs/dbraw/zinc/78/03/51/563780351.db2.gz ZKAYVADSRWKBRZ-LLVKDONJSA-N 1 0 378.885 2.612 20 0 GFADRO CCCN(C(=O)C(=O)Nc1cccc(C)c1Br)C1CC[NH2+]CC1 ZINC000415508337 563780366 /nfs/dbraw/zinc/78/03/66/563780366.db2.gz XKEVJDODUJUUGC-UHFFFAOYSA-N 1 0 382.302 2.687 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)C(=O)N(C)CC[C@H]([NH3+])C(C)C ZINC000415506890 563780393 /nfs/dbraw/zinc/78/03/93/563780393.db2.gz SIMOQSZGMZNEPP-AWEZNQCLSA-N 1 0 384.318 2.782 20 0 GFADRO Cc1ccc(Br)c(NC(=O)C(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)c1 ZINC000415512443 563780768 /nfs/dbraw/zinc/78/07/68/563780768.db2.gz BLJJYDUJRUWKPB-OAHLLOKOSA-N 1 0 394.313 2.687 20 0 GFADRO C[NH2+][C@H]1CCCN(C(=O)Nc2ccnn2Cc2ccc(Br)cc2)C1 ZINC000415522992 563781268 /nfs/dbraw/zinc/78/12/68/563781268.db2.gz FFHGDQNJUSALMD-HNNXBMFYSA-N 1 0 392.301 2.910 20 0 GFADRO Cc1cc(C)c(NC(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)cc1Br ZINC000415523035 563781610 /nfs/dbraw/zinc/78/16/10/563781610.db2.gz FOFMNJFLJCZUQM-AWEZNQCLSA-N 1 0 381.318 2.577 20 0 GFADRO C[C@@](C[NH3+])(NC(=O)Nc1ccnn1Cc1cccc(Br)c1)C1CC1 ZINC000415525390 563781831 /nfs/dbraw/zinc/78/18/31/563781831.db2.gz GDDLOGXXWXIJPS-KRWDZBQOSA-N 1 0 392.301 2.943 20 0 GFADRO CC1(NC(=O)Nc2ccnn2Cc2cccc(Br)c2)CC[NH2+]CC1 ZINC000415524022 563781891 /nfs/dbraw/zinc/78/18/91/563781891.db2.gz BMNQKHZRHFNIGY-UHFFFAOYSA-N 1 0 392.301 2.958 20 0 GFADRO C[C@H]1CN(C(=O)Nc2ccnn2Cc2ccccc2Br)CC[NH2+]1 ZINC000415524518 563781927 /nfs/dbraw/zinc/78/19/27/563781927.db2.gz SWSBLMXPMDRTAF-LBPRGKRZSA-N 1 0 378.274 2.520 20 0 GFADRO C[C@H]([NH3+])[C@H]1CCN(C(=O)Nc2ccnn2Cc2ccccc2Br)C1 ZINC000415523889 563782000 /nfs/dbraw/zinc/78/20/00/563782000.db2.gz RMFITSJTJDWLNU-STQMWFEESA-N 1 0 392.301 2.895 20 0 GFADRO [NH3+]C[C@H]1CC[C@@H](NC(=O)Nc2ccnn2Cc2ccc(Br)cc2)C1 ZINC000415524299 563782035 /nfs/dbraw/zinc/78/20/35/563782035.db2.gz HHTGQOGGKSATAP-DZGCQCFKSA-N 1 0 392.301 2.943 20 0 GFADRO COc1cc(OC)c(NC(=O)NCC[C@H]2CCC[NH2+]C2)cc1Br ZINC000415527534 563782644 /nfs/dbraw/zinc/78/26/44/563782644.db2.gz JNFHWRCDOUXWPH-LLVKDONJSA-N 1 0 386.290 2.978 20 0 GFADRO CC(C)[C@@H]([NH3+])CNC(=O)Nc1ccnn1Cc1ccccc1Br ZINC000415526417 563782661 /nfs/dbraw/zinc/78/26/61/563782661.db2.gz ZKZOKSNODSHZFU-AWEZNQCLSA-N 1 0 380.290 2.799 20 0 GFADRO CCO[C@@H]1C[C@@H]([NH2+]CCNS(=O)(=O)c2ccc(Cl)cc2F)C12CCC2 ZINC000442876866 563782762 /nfs/dbraw/zinc/78/27/62/563782762.db2.gz YPAXOQSYEJIISM-HZPDHXFCSA-N 1 0 390.908 2.695 20 0 GFADRO COc1cc(OC)c(NC(=O)NC[C@]2(C)CCC[NH2+]C2)cc1Br ZINC000415529684 563783125 /nfs/dbraw/zinc/78/31/25/563783125.db2.gz PZWSGCQIHWTPMT-MRXNPFEDSA-N 1 0 386.290 2.978 20 0 GFADRO CC1(CNC(=O)C(=O)Nc2cccc(Br)c2Cl)CC[NH2+]CC1 ZINC000415566594 563784246 /nfs/dbraw/zinc/78/42/46/563784246.db2.gz WMBQWODAZCXMBF-UHFFFAOYSA-N 1 0 388.693 2.547 20 0 GFADRO C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)Nc1cc(F)cc(F)c1Br ZINC000415553385 563784481 /nfs/dbraw/zinc/78/44/81/563784481.db2.gz FZLRQFODUBMVTJ-WRWORJQWSA-N 1 0 378.217 2.962 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)Nc2ccc(-c3ccc(Cl)s3)nc2)C1 ZINC000415560444 563784511 /nfs/dbraw/zinc/78/45/11/563784511.db2.gz FRXOEABPBJUTHA-WDEREUQCSA-N 1 0 378.885 2.598 20 0 GFADRO Cc1csc(Sc2ccc(NC(=O)C(=O)N[C@H](C)CC[NH3+])c(C)c2)n1 ZINC000415553420 563784546 /nfs/dbraw/zinc/78/45/46/563784546.db2.gz OSZJFFPQAMSNDY-LLVKDONJSA-N 1 0 378.523 2.703 20 0 GFADRO CO[C@H]1CCN(C(=O)Nc2cc(F)cc(F)c2Br)[C@H](C[NH3+])C1 ZINC000415556757 563784687 /nfs/dbraw/zinc/78/46/87/563784687.db2.gz IOVCJXLUEIZHBZ-UWVGGRQHSA-N 1 0 378.217 2.697 20 0 GFADRO C[C@H]1CN(C(=O)C(=O)Nc2ccc(Br)c3ccccc23)[C@@H](C)C[NH2+]1 ZINC000415572657 563784866 /nfs/dbraw/zinc/78/48/66/563784866.db2.gz UWQRXBSDJARAKA-RYUDHWBXSA-N 1 0 390.281 2.750 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)C(=O)Nc2ccc(Br)c3ccccc23)C1 ZINC000415585858 563785578 /nfs/dbraw/zinc/78/55/78/563785578.db2.gz XSAAWNIRXLZSEF-NEPJUHHUSA-N 1 0 390.281 2.737 20 0 GFADRO COC(=O)c1c(Br)ccc(NC(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)c1C ZINC000415591766 563785830 /nfs/dbraw/zinc/78/58/30/563785830.db2.gz BBMUMPRIQTTXDI-NEPJUHHUSA-N 1 0 396.285 2.617 20 0 GFADRO Cc1ccc(-c2csc(NC(=O)C(=O)NC[C@]3(C)CCC[NH2+]C3)n2)s1 ZINC000415584815 563785843 /nfs/dbraw/zinc/78/58/43/563785843.db2.gz UAYDSIPSYLJZLF-QGZVFWFLSA-N 1 0 378.523 2.624 20 0 GFADRO COc1ccc(NC(=O)N2CC[C@H]([C@H](C)[NH3+])C2)c(I)c1 ZINC000415597115 563786368 /nfs/dbraw/zinc/78/63/68/563786368.db2.gz MTTKBNIHAFPQHI-UWVGGRQHSA-N 1 0 389.237 2.501 20 0 GFADRO CCC([NH3+])(CC)CNC(=O)Nc1ccc(OC)cc1I ZINC000415601091 563786780 /nfs/dbraw/zinc/78/67/80/563786780.db2.gz VDCLZMJYUWGPJG-UHFFFAOYSA-N 1 0 391.253 2.939 20 0 GFADRO COC(=O)c1c(C)c(NC(=O)N2C[C@@H](C[NH3+])C[C@H]2C)ccc1Br ZINC000415599431 563786921 /nfs/dbraw/zinc/78/69/21/563786921.db2.gz MHTNJOPWJSGZTC-MWLCHTKSSA-N 1 0 384.274 2.745 20 0 GFADRO COC(=O)c1c(C)c(NC(=O)N2CC[C@H](C)[C@H](C[NH3+])C2)ccc1Br ZINC000415607137 563787442 /nfs/dbraw/zinc/78/74/42/563787442.db2.gz ZWNJPMIEADXWAS-CMPLNLGQSA-N 1 0 398.301 2.993 20 0 GFADRO CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)NC[C@H](C)C[NH+](C)C ZINC000292464652 563787879 /nfs/dbraw/zinc/78/78/79/563787879.db2.gz UOOKWTDBIQSDCR-BBRMVZONSA-N 1 0 385.961 2.505 20 0 GFADRO COC(=O)c1cc(NC(=O)N2CC[C@H]([C@H](C)[NH3+])C2)cc(Br)c1F ZINC000415619328 563788129 /nfs/dbraw/zinc/78/81/29/563788129.db2.gz YOMAOEWVOZLLHV-IUCAKERBSA-N 1 0 388.237 2.576 20 0 GFADRO COC(=O)Cn1cc(CC[N@@H+]2CC[C@H](Sc3cccc(Cl)c3)C2)nn1 ZINC000292477562 563788359 /nfs/dbraw/zinc/78/83/59/563788359.db2.gz RWOZIPHQFFUKEV-INIZCTEOSA-N 1 0 380.901 2.514 20 0 GFADRO COC(=O)c1cc(F)c(Br)cc1NC(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000415630795 563788772 /nfs/dbraw/zinc/78/87/72/563788772.db2.gz HQMIYZJLSRNOTL-IUCAKERBSA-N 1 0 388.237 2.766 20 0 GFADRO Cc1cc(Br)cc(Cl)c1NC(=O)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000415639926 563789845 /nfs/dbraw/zinc/78/98/45/563789845.db2.gz DEYBQPQSNKNWLM-MNOVXSKESA-N 1 0 388.693 2.736 20 0 GFADRO CC1(C)CCC[NH2+][C@H]1CNC(=O)C(=O)Nc1cc(Cl)c(Cl)cc1F ZINC000415679081 563791227 /nfs/dbraw/zinc/79/12/27/563791227.db2.gz RHAJDPGARUWKGR-ZDUSSCGKSA-N 1 0 376.259 2.965 20 0 GFADRO COC(=O)c1cc(NC(=O)N[C@@H]2CC[NH2+][C@H](C)C2)c(C)cc1Br ZINC000415704805 563791842 /nfs/dbraw/zinc/79/18/42/563791842.db2.gz IEFCVOQIODGTGV-GHMZBOCLSA-N 1 0 384.274 2.806 20 0 GFADRO O=S(=O)(NC[C@@H](O)C[NH+]1CCCCC1)c1c(Cl)ccc2ccccc21 ZINC000443153747 563793981 /nfs/dbraw/zinc/79/39/81/563793981.db2.gz HMQHRKADERDTEE-OAHLLOKOSA-N 1 0 382.913 2.618 20 0 GFADRO O=C(NCCC[C@@H]1CCC[NH2+]1)Nc1ccn(-c2ccc(Br)cc2)n1 ZINC000415757564 563794309 /nfs/dbraw/zinc/79/43/09/563794309.db2.gz NIVRKNLTYRSZMZ-AWEZNQCLSA-N 1 0 392.301 3.289 20 0 GFADRO C[C@@H]1CN(C(=O)Nc2ccn(-c3ccc(Br)cc3)n2)C[C@@]1(C)C[NH3+] ZINC000415762106 563795251 /nfs/dbraw/zinc/79/52/51/563795251.db2.gz VRPRUGOODXAELT-SJKOYZFVSA-N 1 0 392.301 3.083 20 0 GFADRO COc1cc(I)ccc1NC(=O)N1C[C@@H](C[NH3+])C[C@H]1C ZINC000415771846 563795634 /nfs/dbraw/zinc/79/56/34/563795634.db2.gz IHZQDBGQMSHPOO-NXEZZACHSA-N 1 0 389.237 2.501 20 0 GFADRO COc1cc(I)ccc1NC(=O)N1C[C@H](C)[NH2+]C[C@@H]1C ZINC000415775987 563796283 /nfs/dbraw/zinc/79/62/83/563796283.db2.gz WACRRMVUAQKIPO-UWVGGRQHSA-N 1 0 389.237 2.514 20 0 GFADRO C[C@H](CCCC[NH3+])NC(=O)C(=O)Nc1cc2c(cc1Br)CCC2 ZINC000415780395 563796317 /nfs/dbraw/zinc/79/63/17/563796317.db2.gz LPKMPOZFCOGUFB-LLVKDONJSA-N 1 0 382.302 2.510 20 0 GFADRO CCOc1c(Cl)cc(NC(=O)C(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)cc1Cl ZINC000415797601 563796805 /nfs/dbraw/zinc/79/68/05/563796805.db2.gz WIWRHUPRNHTQRA-IINYFYTJSA-N 1 0 386.279 2.541 20 0 GFADRO [NH3+][C@@H]1CCC[C@H](CNC(=O)C(=O)Nc2cc(Cl)cc(C(F)(F)F)c2)C1 ZINC000415806688 563797669 /nfs/dbraw/zinc/79/76/69/563797669.db2.gz KHZTWWOEDXGBOX-JOYOIKCWSA-N 1 0 377.794 2.931 20 0 GFADRO Cc1cc(NC(=O)C(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)cc(C)c1Br ZINC000415814158 563797731 /nfs/dbraw/zinc/79/77/31/563797731.db2.gz QZQZGQCEKLQCBM-CHWSQXEVSA-N 1 0 382.302 2.638 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N[C@@H](C[NH3+])C2CCCC2)cc1Br ZINC000415821861 563798187 /nfs/dbraw/zinc/79/81/87/563798187.db2.gz IYOCSDQPTFEQSZ-HNNXBMFYSA-N 1 0 382.302 2.638 20 0 GFADRO Cn1cc(Br)c(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)n1 ZINC000293030379 563798765 /nfs/dbraw/zinc/79/87/65/563798765.db2.gz LDSKLUIROWYMAS-HNNXBMFYSA-N 1 0 377.286 2.750 20 0 GFADRO CCOc1c(Cl)cc(NC(=O)C(=O)N2CC[C@@H](C)[C@@H](C[NH3+])C2)cc1Cl ZINC000415836913 563799135 /nfs/dbraw/zinc/79/91/35/563799135.db2.gz CGLUBVRLTNEGIQ-MNOVXSKESA-N 1 0 388.295 2.774 20 0 GFADRO C[C@H](C[NH2+][C@@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)c(Cl)c1)CS(C)(=O)=O ZINC000366122536 563799543 /nfs/dbraw/zinc/79/95/43/563799543.db2.gz IONJXUMACTZHIC-HQQWDMGQSA-N 1 0 393.336 2.536 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000415869598 563799661 /nfs/dbraw/zinc/79/96/61/563799661.db2.gz LBHCNOZWYRFBSA-VNHYZAJKSA-N 1 0 394.313 2.509 20 0 GFADRO CC(C)(CO)[C@@H]([NH2+]CCS(=O)(=O)c1cccc(Br)c1)C1CC1 ZINC000293098233 563800291 /nfs/dbraw/zinc/80/02/91/563800291.db2.gz QAGFEJKYQQVEMZ-HNNXBMFYSA-N 1 0 390.343 2.610 20 0 GFADRO O=C(Nc1cccnc1-c1ccc(Cl)s1)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000415874673 563800254 /nfs/dbraw/zinc/80/02/54/563800254.db2.gz XDOXVQQXTPYQLH-LLVKDONJSA-N 1 0 378.885 2.660 20 0 GFADRO CC(C)Sc1c(Cl)cccc1NC(=O)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000415891195 563800634 /nfs/dbraw/zinc/80/06/34/563800634.db2.gz JOXWIONLSSMBPW-CHWSQXEVSA-N 1 0 381.929 2.847 20 0 GFADRO ClC(Cl)(Cl)c1nsc(N2CCC(C[NH+]3CCOCC3)CC2)n1 ZINC000366182252 563800703 /nfs/dbraw/zinc/80/07/03/563800703.db2.gz KLWDMRCPQTYQQH-UHFFFAOYSA-N 1 0 385.748 2.913 20 0 GFADRO CN(Cc1ccc(Br)o1)C(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2 ZINC000415951173 563800820 /nfs/dbraw/zinc/80/08/20/563800820.db2.gz CBNMNPQIEQROPK-NSHDSACASA-N 1 0 379.258 2.917 20 0 GFADRO C[C@@H](Cc1ccc(Br)cc1)NC(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000415997298 563801576 /nfs/dbraw/zinc/80/15/76/563801576.db2.gz RLGSHNJSDXHWQJ-CABZTGNLSA-N 1 0 382.224 2.959 20 0 GFADRO [NH3+]CC[C@@H](NC(=O)NCCc1ccc(F)c(Br)c1)C(F)(F)F ZINC000415994542 563801713 /nfs/dbraw/zinc/80/17/13/563801713.db2.gz LJLMMAHJVPUMDI-LLVKDONJSA-N 1 0 386.187 2.710 20 0 GFADRO CC(C)[NH+]1CCC(O)(CNS(=O)(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000443498684 563806552 /nfs/dbraw/zinc/80/65/52/563806552.db2.gz GRWCIQBURIZYPD-UHFFFAOYSA-N 1 0 381.325 2.507 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)N[C@H](C)CCCC[NH3+] ZINC000293411587 563811333 /nfs/dbraw/zinc/81/13/33/563811333.db2.gz NEONMSPCQSDNJR-CABCVRRESA-N 1 0 386.583 2.985 20 0 GFADRO C[C@](O)(C[NH+]1CCC(C(N)=O)CC1)c1ccc(Br)cc1Cl ZINC000293419844 563812243 /nfs/dbraw/zinc/81/22/43/563812243.db2.gz IPZLJNOYWZIGAB-HNNXBMFYSA-N 1 0 375.694 2.507 20 0 GFADRO O=C(COc1cccc(Br)c1)N1CC[C@@H](OCC[NH+]2CCCC2)C1 ZINC000443871745 563813322 /nfs/dbraw/zinc/81/33/22/563813322.db2.gz YXUPOZZUZJKVGV-QGZVFWFLSA-N 1 0 397.313 2.541 20 0 GFADRO C[C@@H]1CCN(C(=O)c2nn(C)cc2Br)CC[N@@H+]1Cc1ccccc1 ZINC000293485924 563815267 /nfs/dbraw/zinc/81/52/67/563815267.db2.gz UGCOFXOABAVLHG-CQSZACIVSA-N 1 0 391.313 2.919 20 0 GFADRO CN(C(=O)CNC(=O)c1ccc(Br)cc1)C(C)(C)C[NH+]1CCCC1 ZINC000416332486 563816224 /nfs/dbraw/zinc/81/62/24/563816224.db2.gz HLFFLFYZIKMSHT-UHFFFAOYSA-N 1 0 396.329 2.512 20 0 GFADRO C[C@H](CC(=O)N1C[C@@H](C)[N@H+](CCO)C[C@H]1C)c1ccc(Br)cc1 ZINC000416320042 563816433 /nfs/dbraw/zinc/81/64/33/563816433.db2.gz ZCULJFFHVANOFG-RBSFLKMASA-N 1 0 383.330 2.856 20 0 GFADRO COc1cc(OC)c(S(=O)(=O)NC2CC[NH+](C(C)(C)C)CC2)cc1Cl ZINC000416373377 563819116 /nfs/dbraw/zinc/81/91/16/563819116.db2.gz QSWIEAFPVNKCMM-UHFFFAOYSA-N 1 0 390.933 2.898 20 0 GFADRO COc1ccc(CC[NH2+][C@H](C)C2CCS(=O)(=O)CC2)c(Cl)c1OC ZINC000293676958 563821020 /nfs/dbraw/zinc/82/10/20/563821020.db2.gz KBAOWSAMFRQPRD-GFCCVEGCSA-N 1 0 375.918 2.703 20 0 GFADRO CCS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC[C@@H]3C[NH2+]CCC[C@H]32)c1 ZINC000366834771 563821422 /nfs/dbraw/zinc/82/14/22/563821422.db2.gz AKJLPGMXFXGPBO-CXAGYDPISA-N 1 0 384.929 2.738 20 0 GFADRO C[N@@H+]1CCC[C@H]2CN(S(=O)(=O)c3ccc(C(F)(F)F)cc3F)CC[C@H]21 ZINC000444089841 563821581 /nfs/dbraw/zinc/82/15/81/563821581.db2.gz LSFWQMHTMOCJET-SMDDNHRTSA-N 1 0 380.407 2.949 20 0 GFADRO O=C(NC1(c2ccc(Br)cc2)CCOCC1)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000444152782 563822597 /nfs/dbraw/zinc/82/25/97/563822597.db2.gz OYLWLRTUAVZSJY-RDJZCZTQSA-N 1 0 379.298 2.571 20 0 GFADRO O=C(Nc1cc(F)c(I)c(F)c1)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000444164662 563823450 /nfs/dbraw/zinc/82/34/50/563823450.db2.gz ZWQUWGUACDZPRY-SDBXPKJASA-N 1 0 378.160 2.508 20 0 GFADRO CC[N@H+](C)C[C@H]1CCN(S(=O)(=O)c2cc(C)c(Br)cc2F)C1 ZINC000416409902 563824546 /nfs/dbraw/zinc/82/45/46/563824546.db2.gz DDDHRFYEAQITQT-GFCCVEGCSA-N 1 0 393.322 2.859 20 0 GFADRO O=S(=O)(c1ccc(CC(F)(F)F)cc1)N1CCCC2(CC[NH2+]CC2)C1 ZINC000366941113 563825204 /nfs/dbraw/zinc/82/52/04/563825204.db2.gz OYVYZJGTVGYKQW-UHFFFAOYSA-N 1 0 376.444 2.946 20 0 GFADRO Cc1ccc(Br)c(S(=O)(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)c1 ZINC000366941933 563825408 /nfs/dbraw/zinc/82/54/08/563825408.db2.gz VRMOXPUAYOOTKK-HNNXBMFYSA-N 1 0 387.343 2.910 20 0 GFADRO O=C(NCC[C@H]1CCC[NH2+]1)[C@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 ZINC000444268958 563826350 /nfs/dbraw/zinc/82/63/50/563826350.db2.gz SFPUWRWNLVARDJ-HZPDHXFCSA-N 1 0 384.307 2.856 20 0 GFADRO Cc1cccc(Cl)c1S(=O)(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000416419009 563826683 /nfs/dbraw/zinc/82/66/83/563826683.db2.gz RDBOIGNOGREXHU-UHFFFAOYSA-N 1 0 386.945 2.914 20 0 GFADRO Cc1cccc(S(=O)(=O)N2C[C@@H]([NH3+])Cc3ccccc32)c1Br ZINC000416424554 563827221 /nfs/dbraw/zinc/82/72/21/563827221.db2.gz DTYMJOPMPZXAKH-ZDUSSCGKSA-N 1 0 381.295 2.836 20 0 GFADRO C[C@@H]1[C@H](NC(=O)c2nn(C)cc2Br)CC[N@@H+]1Cc1ccccc1 ZINC000293993862 563829033 /nfs/dbraw/zinc/82/90/33/563829033.db2.gz LWLRUZRLWQALSC-IUODEOHRSA-N 1 0 377.286 2.575 20 0 GFADRO C[C@H]([NH2+][C@H]1CCC(=O)N[C@H]1C1CC1)c1ccccc1I ZINC000367069633 563829491 /nfs/dbraw/zinc/82/94/91/563829491.db2.gz XNCVDPBOFQQHKE-FSBGKCOPSA-N 1 0 384.261 2.999 20 0 GFADRO Brc1ccc2oc(C[N@@H+]3CCC[C@@H]3CN3CCOCC3)nc2c1 ZINC000367146577 563832829 /nfs/dbraw/zinc/83/28/29/563832829.db2.gz WUEGFSDGIRGDHX-CQSZACIVSA-N 1 0 380.286 2.887 20 0 GFADRO CCC[N@H+](CC)C[C@@H](C)NS(=O)(=O)c1cccc(Cl)c1C(=O)OC ZINC000416485193 563837206 /nfs/dbraw/zinc/83/72/06/563837206.db2.gz ZUKPFDOIGCIKHV-GFCCVEGCSA-N 1 0 376.906 2.525 20 0 GFADRO CS(=O)(=O)N1CC[C@H](C[NH2+][C@@H](c2cccc(Cl)c2)c2ccccn2)C1 ZINC000367275005 563839416 /nfs/dbraw/zinc/83/94/16/563839416.db2.gz QTHBCCGMSKVUFH-KDOFPFPSSA-N 1 0 379.913 2.696 20 0 GFADRO Cc1cccc(S(=O)(=O)NCCCC[N@@H+](C)C2CC2)c1Br ZINC000416506427 563840618 /nfs/dbraw/zinc/84/06/18/563840618.db2.gz IVAJEKGIIUCAHR-UHFFFAOYSA-N 1 0 375.332 2.910 20 0 GFADRO C[C@@H](CNC(=O)c1ncc(Br)cc1Br)C[NH+](C)C ZINC000294400214 563841145 /nfs/dbraw/zinc/84/11/45/563841145.db2.gz WZTWQHNSCQYTDS-QMMMGPOBSA-N 1 0 379.096 2.534 20 0 GFADRO O=C1[C@H]([NH2+][C@H]2CCC(=O)N[C@@H]2C2CC2)CCN1c1ccc(Cl)cc1Cl ZINC000367375257 563842121 /nfs/dbraw/zinc/84/21/21/563842121.db2.gz QSIYVUHAVRAVTG-JJRVBVJISA-N 1 0 382.291 2.746 20 0 GFADRO O=C(Nc1ccc(Cl)c(Cl)c1)C1CC[NH+](CCN2CCNC2=O)CC1 ZINC000367377983 563842247 /nfs/dbraw/zinc/84/22/47/563842247.db2.gz NSXGICVOEWWRKA-UHFFFAOYSA-N 1 0 385.295 2.669 20 0 GFADRO O=S(=O)(NCC1CC[NH+](C2CC2)CC1)c1ccc(F)c(Br)c1 ZINC000445066602 563842562 /nfs/dbraw/zinc/84/25/62/563842562.db2.gz LXLMHZWPHMQEJV-UHFFFAOYSA-N 1 0 391.306 2.741 20 0 GFADRO C[C@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]CCCn1cc(Br)cn1 ZINC000367481683 563846654 /nfs/dbraw/zinc/84/66/54/563846654.db2.gz WIGRZLIZFMFEOO-YJBOKZPZSA-N 1 0 392.345 2.931 20 0 GFADRO C[C@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+]CCCn1cc(Br)cn1 ZINC000367481681 563846663 /nfs/dbraw/zinc/84/66/63/563846663.db2.gz WIGRZLIZFMFEOO-MAUKXSAKSA-N 1 0 392.345 2.931 20 0 GFADRO CS(=O)(=O)[C@@H]1CCC[C@@H]([NH2+][C@@H]2COc3cc(F)c(Br)cc32)C1 ZINC000294580750 563847331 /nfs/dbraw/zinc/84/73/31/563847331.db2.gz GXBQQTNEIHKJAH-GPCCPHFNSA-N 1 0 392.290 2.967 20 0 GFADRO C[N@@H+]1CCC[C@H](CCNS(=O)(=O)c2ccc(Br)c(F)c2)C1 ZINC000416563778 563849104 /nfs/dbraw/zinc/84/91/04/563849104.db2.gz YXKVQFCTURWRHF-LLVKDONJSA-N 1 0 379.295 2.598 20 0 GFADRO C[N@@H+]1CC[C@H]2CCN(C(=O)c3cc(Br)cnc3OCC3CC3)C[C@H]21 ZINC000367592780 563850034 /nfs/dbraw/zinc/85/00/34/563850034.db2.gz FJISDAVCFSAJBG-XJKSGUPXSA-N 1 0 394.313 2.799 20 0 GFADRO Cn1nccc1CN1C[C@@H](F)C[C@H]1C[NH2+]Cc1cscc1Br ZINC000367602989 563850214 /nfs/dbraw/zinc/85/02/14/563850214.db2.gz XMPWLUKHGKZIPA-JSGCOSHPSA-N 1 0 387.322 2.946 20 0 GFADRO C[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2cccnc2Cl)[C@H]1c1cccs1 ZINC000367621274 563850374 /nfs/dbraw/zinc/85/03/74/563850374.db2.gz ANOVLYQUXBICFN-RISCZKNCSA-N 1 0 378.885 2.544 20 0 GFADRO CN1CC[NH+](C[C@@H]2CCCN(CCOc3ccccc3Br)C2)CC1 ZINC000367622790 563850490 /nfs/dbraw/zinc/85/04/90/563850490.db2.gz KAEFYGXJNORSEG-QGZVFWFLSA-N 1 0 396.373 2.787 20 0 GFADRO C[C@H](CNC(=O)NCC1([NH+](C)C)CCC1)Oc1cccc(Br)c1 ZINC000445857140 563855004 /nfs/dbraw/zinc/85/50/04/563855004.db2.gz KFEQSMDDHWRLRK-CYBMUJFWSA-N 1 0 384.318 3.000 20 0 GFADRO C[N@H+](CCN1C(=O)NC(C)(C)C1=O)[C@@H]1CCOc2ccc(Br)cc21 ZINC000445895877 563855439 /nfs/dbraw/zinc/85/54/39/563855439.db2.gz WEWJMNIQUBRKMY-CYBMUJFWSA-N 1 0 396.285 2.535 20 0 GFADRO O=C1NC(=O)[C@H]2CC[N@@H+](Cc3ccc(-c4ccc(Br)cc4)o3)C[C@H]12 ZINC000367826990 563856786 /nfs/dbraw/zinc/85/67/86/563856786.db2.gz DACXLCPCUHAJAF-GJZGRUSLSA-N 1 0 389.249 2.804 20 0 GFADRO CC[NH+](CC)[C@@H](CNC(=O)Cc1cc[nH]c(=O)c1Br)CC(C)C ZINC000446042146 563857490 /nfs/dbraw/zinc/85/74/90/563857490.db2.gz MSQNAERPDOICFY-CQSZACIVSA-N 1 0 386.334 2.965 20 0 GFADRO CN(CC1([NH+](C)C)CCC1)C(=O)NCCOc1ccc(Br)cc1 ZINC000446122593 563859023 /nfs/dbraw/zinc/85/90/23/563859023.db2.gz NRBHYODYMDUOOD-UHFFFAOYSA-N 1 0 384.318 2.954 20 0 GFADRO CN(C(C)(C)C[NH+]1CCCC1)S(=O)(=O)c1ccc(OCC(F)F)cc1 ZINC000416658424 563859107 /nfs/dbraw/zinc/85/91/07/563859107.db2.gz GCRCRXCLPWIJHL-UHFFFAOYSA-N 1 0 376.469 2.825 20 0 GFADRO COC(=O)c1ccc(S(=O)(=O)N(C)C(C)(C)C[NH+]2CCCC2)cc1Cl ZINC000416659032 563859287 /nfs/dbraw/zinc/85/92/87/563859287.db2.gz GXORWQBZNFSGGF-UHFFFAOYSA-N 1 0 388.917 2.622 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)N1C[C@@H](C)[N@@H+](CCO)C[C@@H]1C ZINC000416760073 563860787 /nfs/dbraw/zinc/86/07/87/563860787.db2.gz IGVKSDXZUGZDJR-KGLIPLIRSA-N 1 0 384.318 2.985 20 0 GFADRO O=C(c1[nH]nc(-c2ccccc2)c1Br)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000368001726 563861292 /nfs/dbraw/zinc/86/12/92/563861292.db2.gz QMXRSWARSPBNLU-STQMWFEESA-N 1 0 375.270 2.521 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2Cc1nc2ccccn2c1Br ZINC000368026012 563862086 /nfs/dbraw/zinc/86/20/86/563862086.db2.gz ZKGAQXCFYOHNED-BMFZPTHFSA-N 1 0 393.329 2.780 20 0 GFADRO COC[C@]1(CNC(=O)NCC(C)(C)c2ccc(Br)cc2)CCC[NH2+]1 ZINC000417127723 563868609 /nfs/dbraw/zinc/86/86/09/563868609.db2.gz RPYNBZIRSIGJFT-GOSISDBHSA-N 1 0 398.345 2.795 20 0 GFADRO Cc1ccc(C[NH2+][C@@H](C)Cn2cc(Br)cn2)cc1S(C)(=O)=O ZINC000446903586 563869740 /nfs/dbraw/zinc/86/97/40/563869740.db2.gz BEDAFMRNTSJXIO-LBPRGKRZSA-N 1 0 386.315 2.536 20 0 GFADRO C[C@@H](CCC[NH3+])NC(=O)N[C@@H](C)c1cc2c(cc1Br)OCCO2 ZINC000417172808 563870145 /nfs/dbraw/zinc/87/01/45/563870145.db2.gz GIAALIKUTMSIAA-QWRGUYRKSA-N 1 0 386.290 2.708 20 0 GFADRO C[C@H](NC(=O)N(C)C1CC[NH2+]CC1)c1cc2c(cc1Br)OCCO2 ZINC000417177817 563870347 /nfs/dbraw/zinc/87/03/47/563870347.db2.gz MAIWVDOPKNQHGG-NSHDSACASA-N 1 0 398.301 2.675 20 0 GFADRO C[C@H](NC(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C)c1cc2c(cc1Br)OCCO2 ZINC000417174681 563870545 /nfs/dbraw/zinc/87/05/45/563870545.db2.gz ITRMUUMJNPWUKN-WOPDTQHZSA-N 1 0 398.301 2.673 20 0 GFADRO O=C(CN1CC[C@@]2(CNC(=O)C2)C1)Nc1c(Cl)cccc1C(F)(F)F ZINC000368456837 563871175 /nfs/dbraw/zinc/87/11/75/563871175.db2.gz DMMNZRCLOPBCLR-OAHLLOKOSA-N 1 0 375.778 2.509 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)NCCC(=O)Nc1ccc(Br)cc1 ZINC000417209777 563873166 /nfs/dbraw/zinc/87/31/66/563873166.db2.gz CXISQXCNBGZSIL-WFASDCNBSA-N 1 0 397.317 2.689 20 0 GFADRO C[C@H](CCCC[NH3+])NC(=O)NCCC(=O)Nc1ccc(Br)cc1 ZINC000417210338 563873284 /nfs/dbraw/zinc/87/32/84/563873284.db2.gz DTLRINYTWQFZFU-GFCCVEGCSA-N 1 0 385.306 2.594 20 0 GFADRO C[NH+]1CCC2(CCCN2Cc2ncc(I)s2)CC1 ZINC000368568568 563874197 /nfs/dbraw/zinc/87/41/97/563874197.db2.gz ROYWKMKJRAXHHV-UHFFFAOYSA-N 1 0 377.295 2.808 20 0 GFADRO COCC[C@]1([NH2+]Cc2cc(Br)c3c(c2)OCCCO3)CCOC1 ZINC000447088325 563874342 /nfs/dbraw/zinc/87/43/42/563874342.db2.gz SUBFEAMCMWJMDB-KRWDZBQOSA-N 1 0 386.286 2.896 20 0 GFADRO C[C@H](CCn1cccn1)[NH2+][C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000447096992 563874647 /nfs/dbraw/zinc/87/46/47/563874647.db2.gz DIPOREDKRWDQMN-CJNGLKHVSA-N 1 0 377.286 2.819 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)NC[C@H]2CCN(c3cccc(Br)c3)C2)CC[NH2+]1 ZINC000417263169 563875916 /nfs/dbraw/zinc/87/59/16/563875916.db2.gz PHEXEIACANVKJH-IIAWOOMASA-N 1 0 395.345 2.715 20 0 GFADRO O=C(N[C@@H]1CC12CC[NH2+]CC2)c1cc(Cl)ccc1I ZINC000368640330 563876563 /nfs/dbraw/zinc/87/65/63/563876563.db2.gz CKZJSLVKHJWDCD-GFCCVEGCSA-N 1 0 390.652 2.817 20 0 GFADRO C[C@H]([NH2+][C@@H](c1ccn(C)n1)c1ccc(Cl)cc1)C1CCS(=O)(=O)CC1 ZINC000368741668 563878377 /nfs/dbraw/zinc/87/83/77/563878377.db2.gz UXKVHHBSLCRBTR-SCLBCKFNSA-N 1 0 381.929 2.966 20 0 GFADRO COc1cc(CNC(=O)NC2CCC([NH3+])CC2)cc(Br)c1OC ZINC000417365728 563878631 /nfs/dbraw/zinc/87/86/31/563878631.db2.gz GTVBWFWNOPUTIJ-UHFFFAOYSA-N 1 0 386.290 2.535 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)CCNC(=O)N[C@H](C)CCCC[NH3+] ZINC000417371204 563878703 /nfs/dbraw/zinc/87/87/03/563878703.db2.gz VEJFXKLCSFVCNL-CYBMUJFWSA-N 1 0 399.333 2.903 20 0 GFADRO COc1ccc(Br)cc1CNC(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000417378855 563879285 /nfs/dbraw/zinc/87/92/85/563879285.db2.gz HZXHURSVNMVJPP-TUKIKUTGSA-N 1 0 382.302 2.727 20 0 GFADRO [NH3+]C[C@H]1CC[C@H](NC(=O)NCc2cc(Br)ccc2OC(F)F)C1 ZINC000417409103 563879626 /nfs/dbraw/zinc/87/96/26/563879626.db2.gz PLPRXYHIYUHNLN-CABZTGNLSA-N 1 0 392.244 2.977 20 0 GFADRO C[NH2+]C[C@@H](C)CNC(=O)NCC1(c2ccc(Br)cc2)CCOCC1 ZINC000417429625 563879984 /nfs/dbraw/zinc/87/99/84/563879984.db2.gz NKUGHIZDAZFMQO-CQSZACIVSA-N 1 0 398.345 2.652 20 0 GFADRO C[C@@H](NC(=O)NCC1(c2ccc(Br)cc2)CCOCC1)[C@H](C)[NH3+] ZINC000417427187 563880126 /nfs/dbraw/zinc/88/01/26/563880126.db2.gz IMNBUZYLTFRDTD-QWHCGFSZSA-N 1 0 384.318 2.532 20 0 GFADRO C[C@H](CCCC[NH3+])NC(=O)NCCc1ccc(I)s1 ZINC000417434759 563880289 /nfs/dbraw/zinc/88/02/89/563880289.db2.gz ANWJBHPZDGYIMK-SNVBAGLBSA-N 1 0 395.310 2.712 20 0 GFADRO [NH3+]CCCOC1CCN(C(=O)N[C@H]2CCc3c2cccc3Br)CC1 ZINC000417450579 563880715 /nfs/dbraw/zinc/88/07/15/563880715.db2.gz FJHVZDIOEILGTL-KRWDZBQOSA-N 1 0 396.329 2.976 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2C(=O)Cc1ccc(F)cc1Br ZINC000368886330 563880863 /nfs/dbraw/zinc/88/08/63/563880863.db2.gz BJNUWJPANZCHLN-PVAVHDDUSA-N 1 0 399.304 2.841 20 0 GFADRO COCC[C@@]1([NH2+]Cc2cc3c(cc2Br)OCCCO3)CCOC1 ZINC000447380392 563880932 /nfs/dbraw/zinc/88/09/32/563880932.db2.gz FGWWKTUHVXTASA-QGZVFWFLSA-N 1 0 386.286 2.896 20 0 GFADRO COCCC[N@@H+]1CCCN(C(=O)C(=O)Nc2cccc(Cl)c2Cl)CC1 ZINC000368918318 563881601 /nfs/dbraw/zinc/88/16/01/563881601.db2.gz DSKKTYADURVSDR-UHFFFAOYSA-N 1 0 388.295 2.503 20 0 GFADRO C[C@H]1C[C@H](NC(=O)c2cc(I)ccc2Cl)CC[NH2+]1 ZINC000447510332 563882503 /nfs/dbraw/zinc/88/25/03/563882503.db2.gz IHCZQVHHHXBUIJ-WCBMZHEXSA-N 1 0 378.641 2.815 20 0 GFADRO COC(=O)c1coc([C@H](C)[NH2+]CCNC(=O)c2cccc(Br)c2)c1 ZINC000447589961 563883644 /nfs/dbraw/zinc/88/36/44/563883644.db2.gz ZHONSJFMWDNXFA-NSHDSACASA-N 1 0 395.253 2.909 20 0 GFADRO C[C@@H](CNC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)Sc1ccc(Br)cc1 ZINC000417577814 563884081 /nfs/dbraw/zinc/88/40/81/563884081.db2.gz MMUIZKGOZCJBDL-ZOWXZIJZSA-N 1 0 384.343 2.933 20 0 GFADRO O=C(NCCC[NH2+]Cc1cccnc1)NCc1ccc(Br)c(F)c1 ZINC000417616564 563886034 /nfs/dbraw/zinc/88/60/34/563886034.db2.gz VIUQVIGUGKNWLT-UHFFFAOYSA-N 1 0 395.276 2.962 20 0 GFADRO C[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CCCN(c3ccc(Br)cn3)C2)C1 ZINC000369085569 563886809 /nfs/dbraw/zinc/88/68/09/563886809.db2.gz UTSNWISJRYHFMB-HOCLYGCPSA-N 1 0 395.345 2.613 20 0 GFADRO O=C(NCC1(c2ccccc2Br)CC1)N[C@@H]1C[NH2+]CCC1(F)F ZINC000417739082 563887848 /nfs/dbraw/zinc/88/78/48/563887848.db2.gz XVULEOBWBQEFBQ-CYBMUJFWSA-N 1 0 388.256 2.777 20 0 GFADRO CC(C)C[C@@H](C[NH3+])NC(=O)NCCOc1ncc(C(F)(F)F)cc1Cl ZINC000417729413 563888070 /nfs/dbraw/zinc/88/80/70/563888070.db2.gz CGBLLXWBQFSDQA-NSHDSACASA-N 1 0 382.814 2.805 20 0 GFADRO C[C@H](CNC(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1)Oc1ccc(Br)cc1 ZINC000417769340 563888575 /nfs/dbraw/zinc/88/85/75/563888575.db2.gz DJSJNKOJMWMPFH-HZSPNIEDSA-N 1 0 384.318 2.904 20 0 GFADRO C[NH2+]C[C@@H]1CCCN(C(=O)NC[C@H](C)Oc2ccc(Br)cc2)C1 ZINC000417766781 563888699 /nfs/dbraw/zinc/88/86/99/563888699.db2.gz APRIJTRUYFKFJO-KBPBESRZSA-N 1 0 384.318 2.857 20 0 GFADRO CC[C@@H](Cc1ccccc1Br)NC(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000417879655 563890301 /nfs/dbraw/zinc/89/03/01/563890301.db2.gz FKETZLLMDLZHLA-LSDHHAIUSA-N 1 0 384.318 2.529 20 0 GFADRO COCC[NH2+]CCNC(=O)NCCOc1c(Cl)cc(Cl)cc1Cl ZINC000417835767 563890478 /nfs/dbraw/zinc/89/04/78/563890478.db2.gz LGGYFMLMGQKCHZ-UHFFFAOYSA-N 1 0 384.691 2.561 20 0 GFADRO Cc1nn(C)c(CNc2ccc(NC(=O)CC[NH+](C)C)cc2)c1Br ZINC000447899318 563890595 /nfs/dbraw/zinc/89/05/95/563890595.db2.gz SHOTVWFJXQONTA-UHFFFAOYSA-N 1 0 394.317 2.993 20 0 GFADRO CN(C(=O)NC1CCN(Cc2ccc(Br)cc2)CC1)C1CC([NH3+])C1 ZINC000417897721 563890855 /nfs/dbraw/zinc/89/08/55/563890855.db2.gz YDWOLUZBNJAUII-UHFFFAOYSA-N 1 0 395.345 2.545 20 0 GFADRO C[C@@H](NC(=O)N1CC[NH2+][C@@H](C)C1)c1nc(-c2ccc(Br)cc2)no1 ZINC000417883056 563890909 /nfs/dbraw/zinc/89/09/09/563890909.db2.gz FCWQEZYNYMWBIW-WDEREUQCSA-N 1 0 394.273 2.563 20 0 GFADRO CN1CCC([N@@H+]2CC[C@@H](NC(=O)COc3cc(Cl)ccc3Cl)C2)CC1 ZINC000369274117 563890928 /nfs/dbraw/zinc/89/09/28/563890928.db2.gz MPNCLEUJOCEIRG-CQSZACIVSA-N 1 0 386.323 2.657 20 0 GFADRO C[N@@H+]1CCCC(C)(C)[C@H]1CNS(=O)(=O)c1cc(F)ccc1Br ZINC000447936048 563891232 /nfs/dbraw/zinc/89/12/32/563891232.db2.gz LVVDBKBPUNHAHA-CQSZACIVSA-N 1 0 393.322 2.987 20 0 GFADRO Cn1c(Cl)cnc1CN1CCC[N@H+](C[C@@H](O)c2ccccc2Cl)CC1 ZINC000369281171 563891349 /nfs/dbraw/zinc/89/13/49/563891349.db2.gz BCXQNZDAELDVQY-MRXNPFEDSA-N 1 0 383.323 2.968 20 0 GFADRO [NH3+]CC[C@@H](NC(=O)NCCc1cc(Cl)ccc1Br)C(F)F ZINC000417905682 563891710 /nfs/dbraw/zinc/89/17/10/563891710.db2.gz AIBRNVLPYXKPKT-LLVKDONJSA-N 1 0 384.652 2.927 20 0 GFADRO C[C@H](Cc1ccc(F)c(Br)c1)NC(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000417904106 563891795 /nfs/dbraw/zinc/89/17/95/563891795.db2.gz SVYWBEQPMGLLAQ-SJKOYZFVSA-N 1 0 384.293 2.914 20 0 GFADRO Fc1ccc(C[NH2+]CCCO[C@@H]2CCOC2)c(I)c1 ZINC000417935665 563892166 /nfs/dbraw/zinc/89/21/66/563892166.db2.gz GUALTIHLDDLFKQ-CYBMUJFWSA-N 1 0 379.213 2.716 20 0 GFADRO C[C@@H]1CN(C(=O)NCCCOc2ncc(C(F)(F)F)cc2Cl)CC[NH2+]1 ZINC000417958619 563892716 /nfs/dbraw/zinc/89/27/16/563892716.db2.gz LADAWJQTGPKECZ-SNVBAGLBSA-N 1 0 380.798 2.526 20 0 GFADRO CC[C@@H](C)[N@H+](C)CCNC(=O)Nc1ccnn1-c1ccc(Br)cn1 ZINC000448123247 563894258 /nfs/dbraw/zinc/89/42/58/563894258.db2.gz RTEWNSINAKXUEE-GFCCVEGCSA-N 1 0 395.305 2.882 20 0 GFADRO COc1cc(Br)ccc1CCCNC(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000418003176 563894626 /nfs/dbraw/zinc/89/46/26/563894626.db2.gz MVGCKWKPJHDFPP-SWLSCSKDSA-N 1 0 384.318 2.688 20 0 GFADRO COc1cc(Br)ccc1CCCNC(=O)N[C@@H](CC[NH3+])C(F)F ZINC000418006119 563895100 /nfs/dbraw/zinc/89/51/00/563895100.db2.gz PUWRUKOPMJNKNM-LBPRGKRZSA-N 1 0 394.260 2.672 20 0 GFADRO COc1cc(Br)ccc1CCCNC(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000418007019 563895164 /nfs/dbraw/zinc/89/51/64/563895164.db2.gz QXLCADDAXFITNG-CVEARBPZSA-N 1 0 396.329 2.926 20 0 GFADRO COc1cc(Br)ccc1CCCNC(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000418007484 563895194 /nfs/dbraw/zinc/89/51/94/563895194.db2.gz RELKYYKFKRJGSF-DOMZBBRYSA-N 1 0 384.318 2.688 20 0 GFADRO COc1cc(Br)ccc1CCCNC(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000418011542 563895251 /nfs/dbraw/zinc/89/52/51/563895251.db2.gz WZDNCSMOMAJRJK-QGZVFWFLSA-N 1 0 384.318 2.771 20 0 GFADRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)NCCc1c[nH]c2ccc(Br)cc12 ZINC000418013143 563895339 /nfs/dbraw/zinc/89/53/39/563895339.db2.gz YRCGRDLMCVNVJK-VXGBXAGGSA-N 1 0 379.302 2.852 20 0 GFADRO CCOCCOCCN(C)Cc1ccc(F)cc1I ZINC000418013685 563895502 /nfs/dbraw/zinc/89/55/02/563895502.db2.gz NHADTVOSOBNKSL-UHFFFAOYSA-N 1 0 381.229 2.915 20 0 GFADRO COCCO[C@H]1CCN(Cc2ccc(F)cc2I)C1 ZINC000418021219 563895711 /nfs/dbraw/zinc/89/57/11/563895711.db2.gz IPWVAIGDXLUALP-ZDUSSCGKSA-N 1 0 379.213 2.668 20 0 GFADRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)Nc1ccccc1Br ZINC000448325598 563895972 /nfs/dbraw/zinc/89/59/72/563895972.db2.gz QOSXQNCRNOLFAX-AWEZNQCLSA-N 1 0 382.302 2.624 20 0 GFADRO CCCOC[C@H](Cc1cccc(Br)c1)NC(=O)N1CC[C@@H]([NH2+]C)C1 ZINC000418026435 563896087 /nfs/dbraw/zinc/89/60/87/563896087.db2.gz HEXMOVGQPUMFFI-SJORKVTESA-N 1 0 398.345 2.790 20 0 GFADRO O=C(NCc1cc(Br)ccc1Br)N1CCC[NH2+]CC1 ZINC000418033190 563896446 /nfs/dbraw/zinc/89/64/46/563896446.db2.gz CEVLHAYPPNRKKJ-UHFFFAOYSA-N 1 0 391.107 2.717 20 0 GFADRO COCC1(CNC(=O)N[C@H](C)c2ccc(Br)s2)CC[NH2+]CC1 ZINC000418057986 563897021 /nfs/dbraw/zinc/89/70/21/563897021.db2.gz OGDNQAMMGHNBPM-LLVKDONJSA-N 1 0 390.347 2.887 20 0 GFADRO C[C@H]1CC[C@H](C)[NH+]1CC(=O)NC(C)(C)COc1ncccc1Br ZINC000448462585 563897289 /nfs/dbraw/zinc/89/72/89/563897289.db2.gz VHJPLKLZILRPCS-STQMWFEESA-N 1 0 384.318 2.991 20 0 GFADRO CCn1c(CNC(=O)NC[C@@H]([NH3+])C(C)C)nc2cc(Br)ccc21 ZINC000418061236 563897314 /nfs/dbraw/zinc/89/73/14/563897314.db2.gz DSKIHAHJIJLFSA-GFCCVEGCSA-N 1 0 382.306 2.601 20 0 GFADRO C[NH2+]CCN(C)C(=O)N[C@H](Cc1ccccn1)c1ccc(Br)cc1 ZINC000418067713 563897383 /nfs/dbraw/zinc/89/73/83/563897383.db2.gz OXCWMCDJFQDANM-QGZVFWFLSA-N 1 0 391.313 2.989 20 0 GFADRO CCn1c(CNC(=O)N2C[C@H](C[NH3+])C[C@H]2C)nc2cc(Br)ccc21 ZINC000418064119 563897466 /nfs/dbraw/zinc/89/74/66/563897466.db2.gz IYFKYPVICKWJDJ-NEPJUHHUSA-N 1 0 394.317 2.697 20 0 GFADRO C[C@@H](CCC[NH3+])NC(=O)N[C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O ZINC000418078037 563897813 /nfs/dbraw/zinc/89/78/13/563897813.db2.gz JDKFIBCVYNUGJH-SMDDNHRTSA-N 1 0 387.311 2.915 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)N[C@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)CC[NH2+]1 ZINC000418080777 563897892 /nfs/dbraw/zinc/89/78/92/563897892.db2.gz MXZDYARMRHSCLE-QKCSRTOESA-N 1 0 385.295 2.538 20 0 GFADRO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)N[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000418088731 563898185 /nfs/dbraw/zinc/89/81/85/563898185.db2.gz AISORQMSXOETKQ-JLJPHGGASA-N 1 0 395.345 2.845 20 0 GFADRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000418088734 563898213 /nfs/dbraw/zinc/89/82/13/563898213.db2.gz AISORQMSXOETKQ-LXZKKBNFSA-N 1 0 395.345 2.845 20 0 GFADRO O=C(N[C@@H]1CCN(c2cccc(Br)c2)C1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000418094952 563898539 /nfs/dbraw/zinc/89/85/39/563898539.db2.gz IPNPGGWYBFWRSJ-PBHICJAKSA-N 1 0 393.329 2.564 20 0 GFADRO C[NH+](C)CCN1CCN(C(=O)c2cc(Cl)c(F)cc2Br)CC1 ZINC000448600002 563898504 /nfs/dbraw/zinc/89/85/04/563898504.db2.gz BMVCKOOCPSSPQO-UHFFFAOYSA-N 1 0 392.700 2.561 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(I)cc1F ZINC000448600184 563898538 /nfs/dbraw/zinc/89/85/38/563898538.db2.gz DJWHLWFZWPJDLS-NSHDSACASA-N 1 0 376.213 2.644 20 0 GFADRO [NH3+]C1CCN(C(=O)NCc2ccc(Cl)cc2I)CC1 ZINC000418096530 563898636 /nfs/dbraw/zinc/89/86/36/563898636.db2.gz XLLAAPNVXACJND-UHFFFAOYSA-N 1 0 393.656 2.577 20 0 GFADRO [NH3+]CC[C@@H]1CCCN(C(=O)N[C@H]2CCN(c3cccc(Br)c3)C2)C1 ZINC000418106941 563899104 /nfs/dbraw/zinc/89/91/04/563899104.db2.gz YNJSYCKPHHFVHV-HOCLYGCPSA-N 1 0 395.345 2.798 20 0 GFADRO C[C@H](CC[NH3+])NC(=O)N[C@@H](C)CCc1ccc(I)cc1 ZINC000418115584 563899448 /nfs/dbraw/zinc/89/94/48/563899448.db2.gz PKBLECXMDZQNRT-NWDGAFQWSA-N 1 0 389.281 2.649 20 0 GFADRO Cc1cc(CNC(=O)N(C)CC(C)(C)C[NH3+])ccc1I ZINC000418144020 563899882 /nfs/dbraw/zinc/89/98/82/563899882.db2.gz RZPXALGNCUEAME-UHFFFAOYSA-N 1 0 389.281 2.726 20 0 GFADRO C[NH2+]C[C@H]1CCCN(C(=O)N[C@@H]2COc3cc(F)c(Br)cc32)C1 ZINC000418152172 563900310 /nfs/dbraw/zinc/90/03/10/563900310.db2.gz HLWRHOLJZHSFJZ-QMTHXVAHSA-N 1 0 386.265 2.663 20 0 GFADRO [NH3+]C[C@H](NC(=O)N[C@H]1COc2cc(F)c(Br)cc21)C1CCCC1 ZINC000418163837 563900524 /nfs/dbraw/zinc/90/05/24/563900524.db2.gz RHGZBLCYJNBBTA-KBPBESRZSA-N 1 0 386.265 2.838 20 0 GFADRO CS(=O)(=O)NC[C@@H]1CCC[N@H+](Cc2cnc(-c3ccccc3F)s2)C1 ZINC000448990265 563904763 /nfs/dbraw/zinc/90/47/63/563904763.db2.gz GSIUNFGIGVYZGD-ZDUSSCGKSA-N 1 0 383.514 2.710 20 0 GFADRO O=S(=O)(c1ccc(CC[NH2+]Cc2ccncc2F)s1)N1CCCCC1 ZINC000449168812 563907383 /nfs/dbraw/zinc/90/73/83/563907383.db2.gz BMLKGXCJKZRSKD-UHFFFAOYSA-N 1 0 383.514 2.789 20 0 GFADRO C[NH+]1CCN(CCCNC(=O)c2c(Cl)cc(F)cc2Br)CC1 ZINC000449163912 563907556 /nfs/dbraw/zinc/90/75/56/563907556.db2.gz OCOLEPDNXRCVDB-UHFFFAOYSA-N 1 0 392.700 2.609 20 0 GFADRO Cn1cc(N2CCC[C@H]([NH2+]Cc3ccc(I)cc3)C2)cn1 ZINC000449179423 563907713 /nfs/dbraw/zinc/90/77/13/563907713.db2.gz ZNJKYXRNYMAUIX-HNNXBMFYSA-N 1 0 396.276 2.783 20 0 GFADRO O=S(=O)(Cc1ccon1)NCC[NH2+][C@H]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000449179291 563907857 /nfs/dbraw/zinc/90/78/57/563907857.db2.gz VILJMRMFTLUWOA-ZBFHGGJFSA-N 1 0 383.901 2.673 20 0 GFADRO CS(=O)(=O)N[C@@H]1CCC[C@H]1C[NH2+]Cc1cnc(-c2ccccc2F)s1 ZINC000449223956 563908263 /nfs/dbraw/zinc/90/82/63/563908263.db2.gz PQMDANAZVWCXTJ-BLLLJJGKSA-N 1 0 383.514 2.757 20 0 GFADRO Cc1[nH]c(=O)sc1S(=O)(=O)NCC[NH2+][C@@H]1CC[C@H](CCC(C)C)C1 ZINC000449247203 564177768 /nfs/dbraw/zinc/17/77/68/564177768.db2.gz FWOACCBJUSVYEE-UONOGXRCSA-N 1 0 375.560 2.630 20 0 GFADRO COC(=O)COC[C@@H](C)[NH2+]Cc1ccc(Cl)cc1I ZINC000449284627 564178696 /nfs/dbraw/zinc/17/86/96/564178696.db2.gz BNJIPDCTXBGLKR-SECBINFHSA-N 1 0 397.640 2.612 20 0 GFADRO C[C@@H]1CC[NH2+][C@@H](C)[C@H]1NCc1csc(-c2ccc(S(C)(=O)=O)cc2)n1 ZINC000563215559 564180589 /nfs/dbraw/zinc/18/05/89/564180589.db2.gz QYPHTJIXWAVPOE-IGCXYCKISA-N 1 0 379.551 2.690 20 0 GFADRO CCc1sc(C(=O)N2CCC[N@@H+]([C@@H](C)CO)CC2)cc1Br ZINC000505355640 564180780 /nfs/dbraw/zinc/18/07/80/564180780.db2.gz KYJNIDJVSWOGKN-NSHDSACASA-N 1 0 375.332 2.602 20 0 GFADRO C[N@H+](CC1CC1)C[C@@H]1CCN([C@H](C(N)=O)c2ccc(Br)cc2F)C1 ZINC000470955881 564180947 /nfs/dbraw/zinc/18/09/47/564180947.db2.gz PILYKWCCWYOZBH-GUYCJALGSA-N 1 0 398.320 2.778 20 0 GFADRO C[N@H+](Cc1ccc(OC(F)F)c(Br)c1)[C@@H]1CCN2CCO[C@H]1C2 ZINC000449359565 564182094 /nfs/dbraw/zinc/18/20/94/564182094.db2.gz FZIZXIGHXRUMDV-HIFRSBDPSA-N 1 0 391.256 2.955 20 0 GFADRO Cc1ccccc1NC(=O)C[C@H](C)[NH2+]CCn1cc(Br)ccc1=O ZINC000449379002 564182980 /nfs/dbraw/zinc/18/29/80/564182980.db2.gz SCVVBUMSHNNHCI-AWEZNQCLSA-N 1 0 392.297 2.926 20 0 GFADRO C[C@@H]1CCc2nc(C[NH2+]CCn3cc(Br)ccc3=O)sc2C1 ZINC000449377123 564183119 /nfs/dbraw/zinc/18/31/19/564183119.db2.gz NZBUQMZQDRACSC-LLVKDONJSA-N 1 0 382.327 2.982 20 0 GFADRO OCCCN1CCC[C@@H]([NH2+]Cc2cccc(Br)c2OC(F)F)C1 ZINC000449398437 564184114 /nfs/dbraw/zinc/18/41/14/564184114.db2.gz UXZYAQNYHMXTAT-CYBMUJFWSA-N 1 0 393.272 2.987 20 0 GFADRO C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]C[C@H]1CCCCN1CCO ZINC000449394603 564184220 /nfs/dbraw/zinc/18/42/20/564184220.db2.gz OCHXUJQYCVVRMM-WMLDXEAASA-N 1 0 398.345 2.603 20 0 GFADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCC(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000505527355 564185009 /nfs/dbraw/zinc/18/50/09/564185009.db2.gz JEZYSQUAJMCTIS-INIZCTEOSA-N 1 0 394.313 2.720 20 0 GFADRO CC[C@H]1[C@H](CO)CC[N@@H+]1Cc1ccc(Br)cc1N1CCOCC1 ZINC000449431002 564185969 /nfs/dbraw/zinc/18/59/69/564185969.db2.gz WYYLIOAABDKLKD-RDJZCZTQSA-N 1 0 383.330 2.879 20 0 GFADRO CO[C@H]1COCC[C@H]1C[NH2+]Cc1c(F)ccc(I)c1F ZINC000449456309 564186845 /nfs/dbraw/zinc/18/68/45/564186845.db2.gz FACXYYBKFVDJAH-ZANVPECISA-N 1 0 397.203 2.711 20 0 GFADRO C[N@H+](CC[C@H]1CCNC1=O)Cc1cccc(Br)c1OCC(C)(C)O ZINC000563352294 564187790 /nfs/dbraw/zinc/18/77/90/564187790.db2.gz BPLATHQHRHINPY-CYBMUJFWSA-N 1 0 399.329 2.557 20 0 GFADRO OC[C@@H]([C@@H]([NH2+]Cc1ncc(I)s1)C1CC1)C1CC1 ZINC000449508167 564188682 /nfs/dbraw/zinc/18/86/82/564188682.db2.gz MWUXQKKJMOLSMH-MFKMUULPSA-N 1 0 378.279 2.634 20 0 GFADRO C[C@H](c1ccc(S(C)(=O)=O)cc1)N1CCC([NH2+]C[C@H]2CCSC2)CC1 ZINC000449515618 564188699 /nfs/dbraw/zinc/18/86/99/564188699.db2.gz AIWJGPVSSFLDOG-HZPDHXFCSA-N 1 0 382.595 2.958 20 0 GFADRO C[C@H](c1ccc(S(C)(=O)=O)cc1)N1CCC([NH2+][C@@H]2CSC[C@H]2C)CC1 ZINC000449515853 564188798 /nfs/dbraw/zinc/18/87/98/564188798.db2.gz BXWPZSSNURHQTG-SPYBWZPUSA-N 1 0 382.595 2.957 20 0 GFADRO COc1ccc(C[C@@H](CO)C[NH2+][C@H](C)CCn2cccn2)cc1Br ZINC000449597121 564191224 /nfs/dbraw/zinc/19/12/24/564191224.db2.gz DASYRZRZXLHKSL-GDBMZVCRSA-N 1 0 396.329 2.874 20 0 GFADRO C[C@@H](C[NH+]1CCC(C)CC1)NCc1ncc(I)s1 ZINC000563443256 564191339 /nfs/dbraw/zinc/19/13/39/564191339.db2.gz QZQYAXYRDVVFAK-NSHDSACASA-N 1 0 379.311 2.958 20 0 GFADRO O=C(c1cc(I)ccc1Cl)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000471278443 564191361 /nfs/dbraw/zinc/19/13/61/564191361.db2.gz SILVMXPSIJDNFN-LLVKDONJSA-N 1 0 390.652 2.865 20 0 GFADRO C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]C[C@@H](CO)Cc1cc(Br)ccc1F ZINC000449602133 564192001 /nfs/dbraw/zinc/19/20/01/564192001.db2.gz SVIRJJPSDBRAFC-VBHSOAQHSA-N 1 0 385.321 2.812 20 0 GFADRO CNC(=O)C[C@H](C)[NH2+]Cc1cc(Br)c(OC(F)F)c(OC)c1 ZINC000449604217 564192465 /nfs/dbraw/zinc/19/24/65/564192465.db2.gz STYFHUDREZMPEP-QMMMGPOBSA-N 1 0 381.217 2.673 20 0 GFADRO CN(C(=O)Nc1cc(Cl)ccc1I)[C@H]1CC[NH2+]C1 ZINC000563494254 564192905 /nfs/dbraw/zinc/19/29/05/564192905.db2.gz IOGZOHAKBVCQMH-VIFPVBQESA-N 1 0 379.629 2.770 20 0 GFADRO COC[C@@]1(CNC(=O)Nc2cccc3cc(Br)cnc32)CCC[NH2+]1 ZINC000563498394 564193264 /nfs/dbraw/zinc/19/32/64/564193264.db2.gz UEDYKLFMCVJILF-KRWDZBQOSA-N 1 0 393.285 2.887 20 0 GFADRO C=Cn1cc(C[NH2+]C[C@H](CO)Cc2cc(Br)ccc2OC)cn1 ZINC000449678031 564194770 /nfs/dbraw/zinc/19/47/70/564194770.db2.gz DMJIGHCMTNUUMR-CYBMUJFWSA-N 1 0 380.286 2.696 20 0 GFADRO O[C@H](C[NH2+]CCOCc1ccc(Cl)cc1Cl)COC1CCOCC1 ZINC000563528806 564195156 /nfs/dbraw/zinc/19/51/56/564195156.db2.gz HIQYDQMMUHOXOJ-OAHLLOKOSA-N 1 0 378.296 2.656 20 0 GFADRO O=C(CC[NH2+][C@H]1CCO[C@]2(CCOC2)C1)Nc1cccc(Br)c1 ZINC000563528718 564195245 /nfs/dbraw/zinc/19/52/45/564195245.db2.gz BVGWINCZDFJKRM-DOTOQJQBSA-N 1 0 383.286 2.705 20 0 GFADRO C[C@@H](NC(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ncc(Br)cn1 ZINC000563547142 564195972 /nfs/dbraw/zinc/19/59/72/564195972.db2.gz GTQBLWYFLVEWCE-UKRRQHHQSA-N 1 0 389.297 2.938 20 0 GFADRO Cc1[nH]c(=O)c(C(=O)N2CCc3ccccc3[C@@H]2C[NH3+])cc1Br ZINC000563536703 564196463 /nfs/dbraw/zinc/19/64/63/564196463.db2.gz GEICZKFCMNQADH-HNNXBMFYSA-N 1 0 376.254 2.556 20 0 GFADRO COc1cccc(C[NH2+]C[C@H](CO)Cc2ccc(F)c(Br)c2)n1 ZINC000449686015 564197196 /nfs/dbraw/zinc/19/71/96/564197196.db2.gz UZYQGRMPHYZJPA-CYBMUJFWSA-N 1 0 383.261 2.933 20 0 GFADRO CCn1cc(Br)cc1C(=O)N1CC[C@H](OCC[NH+](CC)CC)C1 ZINC000471557709 564197753 /nfs/dbraw/zinc/19/77/53/564197753.db2.gz HWYXSCWXOLRGNQ-HNNXBMFYSA-N 1 0 386.334 2.843 20 0 GFADRO [NH3+]CC[C@@H](NC(=O)c1cnn(-c2ccc(Br)cc2)c1)C(F)(F)F ZINC000449714005 564197855 /nfs/dbraw/zinc/19/78/55/564197855.db2.gz BAGRMMYZWNQBDV-GFCCVEGCSA-N 1 0 391.191 2.644 20 0 GFADRO C[C@H](CNC(=O)N(C1CC1)[C@H]1CC[NH2+]C1)Oc1ccc(Br)cc1 ZINC000563581570 564197910 /nfs/dbraw/zinc/19/79/10/564197910.db2.gz QWZRMMLXGKMMPE-DOMZBBRYSA-N 1 0 382.302 2.752 20 0 GFADRO [NH3+]C[C@@H]1CC[C@H](NC(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)C1 ZINC000449712046 564198150 /nfs/dbraw/zinc/19/81/50/564198150.db2.gz GCNWRYKQHWIKPQ-RLCCDNCMSA-N 1 0 384.307 2.842 20 0 GFADRO C[C@@H](CNC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1)Oc1ccc(Br)cc1 ZINC000563581575 564198222 /nfs/dbraw/zinc/19/82/22/564198222.db2.gz QWZRMMLXGKMMPE-SWLSCSKDSA-N 1 0 382.302 2.752 20 0 GFADRO CN(C)C(=O)CC[NH+]1CCN(Cc2cc(Cl)ccc2Br)CC1 ZINC000538722128 564198579 /nfs/dbraw/zinc/19/85/79/564198579.db2.gz YRYKICFOGJUYKB-UHFFFAOYSA-N 1 0 388.737 2.698 20 0 GFADRO [NH3+]CC[C@H](NC(=O)c1cc(-c2ccc(Br)cc2)n[nH]1)C(F)(F)F ZINC000449723451 564198705 /nfs/dbraw/zinc/19/87/05/564198705.db2.gz RIJBTVFFDJVQKF-LBPRGKRZSA-N 1 0 391.191 2.849 20 0 GFADRO C[C@@H](CN(C)C(=O)NCCOCC[NH+](C)C)Oc1ccc(Cl)c(Cl)c1 ZINC000471646937 564201174 /nfs/dbraw/zinc/20/11/74/564201174.db2.gz XYKZQEHRNYAPSC-ZDUSSCGKSA-N 1 0 392.327 2.980 20 0 GFADRO C[C@@H](CNC(=O)[C@@H]1Cc2cc(Br)ccc2O1)C[NH+]1CCCCC1 ZINC000471779704 564204254 /nfs/dbraw/zinc/20/42/54/564204254.db2.gz JFLAWCATYGKAMN-GUYCJALGSA-N 1 0 381.314 2.991 20 0 GFADRO O=S1(=O)CC[C@H]([NH2+][C@@H](CO)CC2CCC2)c2cc(Br)ccc21 ZINC000563760635 564205621 /nfs/dbraw/zinc/20/56/21/564205621.db2.gz JZUOFIUGQFFGIV-HIFRSBDPSA-N 1 0 388.327 2.808 20 0 GFADRO C[C@H](C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1ccc(Cl)c(Cl)c1 ZINC000471991642 564209755 /nfs/dbraw/zinc/20/97/55/564209755.db2.gz JTGBUYHEZRUNHA-JSGCOSHPSA-N 1 0 386.323 2.801 20 0 GFADRO O=C(NCC[NH+]1CCCC1)c1ccc(CNCc2ncc(Cl)s2)cc1 ZINC000472054019 564212182 /nfs/dbraw/zinc/21/21/82/564212182.db2.gz PUCAJCUWXAUVNW-UHFFFAOYSA-N 1 0 378.929 2.912 20 0 GFADRO CC[NH+](CC)[C@@H]1CCN(C(=O)c2ccc(I)cc2F)C1 ZINC000449987172 564212560 /nfs/dbraw/zinc/21/25/60/564212560.db2.gz IZKQWNLUYVWYTJ-GFCCVEGCSA-N 1 0 390.240 2.987 20 0 GFADRO C[NH+](C)[C@]1(CNC(=O)N[C@@H]2CCO[C@H]2c2ccc(Cl)cc2)CCSC1 ZINC000539227657 564214167 /nfs/dbraw/zinc/21/41/67/564214167.db2.gz RIKGWLRYKANEJK-RYRKJORJSA-N 1 0 383.945 2.907 20 0 GFADRO [NH3+]C[C@H]1CC[C@H](Cn2nnc(-c3ccccc3I)n2)CC1 ZINC000563955737 564214696 /nfs/dbraw/zinc/21/46/96/564214696.db2.gz WMJOPVQVSDHELA-HAQNSBGRSA-N 1 0 397.264 2.710 20 0 GFADRO O=S(=O)(Cc1cccc(Br)c1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000563986781 564215319 /nfs/dbraw/zinc/21/53/19/564215319.db2.gz TWMBZWQSWRXVSS-INIZCTEOSA-N 1 0 387.343 2.839 20 0 GFADRO CCO[C@H](CC[NH+](C)C)CNC(=O)CCc1cccc(F)c1Br ZINC000450080532 564216639 /nfs/dbraw/zinc/21/66/39/564216639.db2.gz DOFWAZHEPIYSFE-CQSZACIVSA-N 1 0 389.309 2.994 20 0 GFADRO COCCCS(=O)(=O)NCC[N@@H+]1CCCCC[C@H]1/C=C/c1cccs1 ZINC000564047511 564217521 /nfs/dbraw/zinc/21/75/21/564217521.db2.gz NPOCQVAPEDZEMO-FVNWOWOISA-N 1 0 386.583 2.962 20 0 GFADRO O=C(NC[C@@H]1CCCC[N@H+]1CCO)N[C@@H]1CCc2c1cccc2Br ZINC000564053703 564217684 /nfs/dbraw/zinc/21/76/84/564217684.db2.gz IKRURFGHMGCCSR-SUMWQHHRSA-N 1 0 396.329 2.582 20 0 GFADRO Cc1c(-c2nc(-c3cccc(Br)c3)no2)nnn1C1CC[NH2+]CC1 ZINC000472419915 564222676 /nfs/dbraw/zinc/22/26/76/564222676.db2.gz ZDXBMECWFRKTFR-UHFFFAOYSA-N 1 0 389.257 2.991 20 0 GFADRO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1c(Cl)cc(F)cc1Br ZINC000450233138 564222841 /nfs/dbraw/zinc/22/28/41/564222841.db2.gz NRSWNPYQPCNUBW-NSHDSACASA-N 1 0 393.684 2.818 20 0 GFADRO CC[NH+](CC)[C@H](C)CNC(=O)N(CCO)Cc1cccc(Br)c1 ZINC000472450496 564223410 /nfs/dbraw/zinc/22/34/10/564223410.db2.gz JRPVWXGGHLGNJH-CQSZACIVSA-N 1 0 386.334 2.683 20 0 GFADRO Cc1ccc(Br)cc1CN1CCCC[C@H]1CNS(C)(=O)=O ZINC000450251814 564223988 /nfs/dbraw/zinc/22/39/88/564223988.db2.gz DOKOEONSCUBQAJ-HNNXBMFYSA-N 1 0 375.332 2.661 20 0 GFADRO COC(=O)c1ccc(S(=O)(=O)NCC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)s1 ZINC000507284323 564225167 /nfs/dbraw/zinc/22/51/67/564225167.db2.gz WNHIRUNKIJJZLQ-CHWSQXEVSA-N 1 0 388.555 2.570 20 0 GFADRO CC(C)[NH+]1CCC(C(=O)NCCCS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000564246183 564225528 /nfs/dbraw/zinc/22/55/28/564225528.db2.gz GKMSITWURFJEKW-UHFFFAOYSA-N 1 0 386.945 2.740 20 0 GFADRO C[NH+](C)[C@H](CNc1cc(Br)cnc1C(N)=O)Cc1ccccc1 ZINC000472503749 564225471 /nfs/dbraw/zinc/22/54/71/564225471.db2.gz TUBNWCSJJCVUOG-AWEZNQCLSA-N 1 0 377.286 2.528 20 0 GFADRO Cc1cc(Br)ccc1S(=O)(=O)NCC1([NH+](C)C)CCCC1 ZINC000472685338 564231246 /nfs/dbraw/zinc/23/12/46/564231246.db2.gz SZXWLJLCKIGVQV-UHFFFAOYSA-N 1 0 375.332 2.910 20 0 GFADRO COC[C@@H]([NH2+]CCNS(=O)(=O)c1ccc(C)s1)c1cccc(Cl)c1 ZINC000564420337 564233430 /nfs/dbraw/zinc/23/34/30/564233430.db2.gz RXQOMZKBZMNIAB-OAHLLOKOSA-N 1 0 388.942 2.966 20 0 GFADRO COc1nc(N2CC[NH+](C[C@H]3CCC(F)(F)C3)CC2)ncc1Br ZINC000450476144 564234600 /nfs/dbraw/zinc/23/46/00/564234600.db2.gz NFMPAOZGKLYGST-NSHDSACASA-N 1 0 391.260 2.805 20 0 GFADRO Cc1cc(Br)ccc1C(=O)N1CCC([NH2+]C[C@H](O)C(F)F)CC1 ZINC000564502285 564235712 /nfs/dbraw/zinc/23/57/12/564235712.db2.gz BNTDUAXWSNBREI-AWEZNQCLSA-N 1 0 391.256 2.578 20 0 GFADRO CCC[N@H+](CC)C[C@@H](C)NS(=O)(=O)c1ccc(NC(C)=O)c(Cl)c1 ZINC000564496689 564235730 /nfs/dbraw/zinc/23/57/30/564235730.db2.gz NOQWUVATBHOGAZ-GFCCVEGCSA-N 1 0 375.922 2.697 20 0 GFADRO Cc1ccc(Br)c(NC(=O)C(=O)N2C[C@H]([NH+]3CCCC3)C[C@H]2C)c1 ZINC000507656049 564238149 /nfs/dbraw/zinc/23/81/49/564238149.db2.gz QGQHUGAOVLBBKU-ZIAGYGMSSA-N 1 0 394.313 2.781 20 0 GFADRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1Cc1csc(-c2ccc(S(C)(=O)=O)cc2)n1 ZINC000540052833 564238351 /nfs/dbraw/zinc/23/83/51/564238351.db2.gz KHDCVIVCXKNNAO-ZIAGYGMSSA-N 1 0 379.551 2.738 20 0 GFADRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000540045815 564238375 /nfs/dbraw/zinc/23/83/75/564238375.db2.gz XWTHMFSZHVOVKA-YRGRVCCFSA-N 1 0 391.737 2.867 20 0 GFADRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)C(=O)Nc1ccc(F)cc1Br ZINC000507676737 564238737 /nfs/dbraw/zinc/23/87/37/564238737.db2.gz OMDSXDUGXUMFJY-AAEUAGOBSA-N 1 0 398.276 2.612 20 0 GFADRO O=S(=O)(Cc1cc(Cl)ccc1Br)N[C@H]1CCCC[NH2+]C1 ZINC000564571467 564239410 /nfs/dbraw/zinc/23/94/10/564239410.db2.gz RSKUKDOVMACERB-LBPRGKRZSA-N 1 0 381.723 2.664 20 0 GFADRO CN1CC[NH+](CCCCNC(=O)[C@H]2CCc3cc(Br)ccc32)CC1 ZINC000564571217 564239711 /nfs/dbraw/zinc/23/97/11/564239711.db2.gz FYNIKLNCAWQXTE-SFHVURJKSA-N 1 0 394.357 2.623 20 0 GFADRO CCCN(CC[NH+]1CCCCCC1)C(=O)NCc1n[nH]cc1Br ZINC000564615443 564242014 /nfs/dbraw/zinc/24/20/14/564242014.db2.gz TYDYKPPPIMTXOM-UHFFFAOYSA-N 1 0 386.338 2.970 20 0 GFADRO Cc1cc(C(=O)NC[C@@](C)(O)CC[NH+](C)C)c2ccc(Br)cc2n1 ZINC000473265934 564243115 /nfs/dbraw/zinc/24/31/15/564243115.db2.gz ZIPNDRJWIZRMDT-SFHVURJKSA-N 1 0 394.313 2.738 20 0 GFADRO COC(=O)[C@](C)(O)C[NH+]1CCC(OCc2ccc(Cl)c(Cl)c2)CC1 ZINC000564754013 564247443 /nfs/dbraw/zinc/24/74/43/564247443.db2.gz JECUKAVKYFUKKI-QGZVFWFLSA-N 1 0 376.280 2.898 20 0 GFADRO C[C@@H]([NH2+]CCNS(=O)(=O)c1cccc(Cl)c1Cl)[C@H]1CCCOC1 ZINC000564746428 564247492 /nfs/dbraw/zinc/24/74/92/564247492.db2.gz IBGLKXCQDPBSRT-NEPJUHHUSA-N 1 0 381.325 2.676 20 0 GFADRO CC(=O)N1CCC[N@H+](C[C@H]2CCCN(c3cc(Br)ccn3)C2)CC1 ZINC000450775683 564247605 /nfs/dbraw/zinc/24/76/05/564247605.db2.gz PZZNFWMFBKGQCM-MRXNPFEDSA-N 1 0 395.345 2.615 20 0 GFADRO COCCN1CC[C@H]([NH2+]Cc2ccc(OC(F)F)c(Br)c2)C1 ZINC000507949729 564249232 /nfs/dbraw/zinc/24/92/32/564249232.db2.gz ICZZENYJCYCXES-LBPRGKRZSA-N 1 0 379.245 2.861 20 0 GFADRO CN(CC[NH2+]CCS(=O)(=O)c1ccc(C(C)(C)C)cc1)CC(F)(F)F ZINC000564855457 564252587 /nfs/dbraw/zinc/25/25/87/564252587.db2.gz RWROHEJSKGDQSC-UHFFFAOYSA-N 1 0 380.476 2.842 20 0 GFADRO CN(C)c1cccc(C[NH2+]C[C@H](O)COc2cc(F)cc(Br)c2)n1 ZINC000564848482 564252678 /nfs/dbraw/zinc/25/26/78/564252678.db2.gz DFDOLTOZWDJLNK-HNNXBMFYSA-N 1 0 398.276 2.579 20 0 GFADRO O=C(CC[NH2+][C@@H]1CCN(CC(F)F)C1)Nc1cccc(Br)c1 ZINC000564858592 564253559 /nfs/dbraw/zinc/25/35/59/564253559.db2.gz VDSNWDPSCYIAQC-CYBMUJFWSA-N 1 0 376.245 2.707 20 0 GFADRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000450973838 564258255 /nfs/dbraw/zinc/25/82/55/564258255.db2.gz YYEFRPGVZAYRFE-RRQGHBQHSA-N 1 0 395.341 2.856 20 0 GFADRO CCN(CCC[NH+](CC)CC)C(=O)c1cc(I)c[nH]1 ZINC000508209981 564258357 /nfs/dbraw/zinc/25/83/57/564258357.db2.gz GDUKEHBEBSFDQB-UHFFFAOYSA-N 1 0 377.270 2.813 20 0 GFADRO O=C(Cc1csc(NC(=O)c2cccs2)n1)NCCC[C@@H]1CCC[NH2+]1 ZINC000564955359 564258991 /nfs/dbraw/zinc/25/89/91/564258991.db2.gz YITOAIOARYHILO-LBPRGKRZSA-N 1 0 378.523 2.648 20 0 GFADRO CCC(CC)[C@H](CNS(=O)(=O)c1cc(Cl)ccc1C(=O)OC)[NH+](C)C ZINC000473952949 564259617 /nfs/dbraw/zinc/25/96/17/564259617.db2.gz SOIAGBFOGKAPQP-HNNXBMFYSA-N 1 0 390.933 2.771 20 0 GFADRO CN(Cc1c(F)cccc1Cl)S(=O)(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000564960762 564259807 /nfs/dbraw/zinc/25/98/07/564259807.db2.gz LDAMYKMARUJMKY-JOCQHMNTSA-N 1 0 377.913 2.510 20 0 GFADRO COCCOc1c(Cl)cc(S(=O)(=O)N[C@H](C[NH3+])CC(C)C)cc1Cl ZINC000564959003 564260117 /nfs/dbraw/zinc/26/01/17/564260117.db2.gz NAWZXAYNCJBSLC-NSHDSACASA-N 1 0 399.340 2.670 20 0 GFADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)N[C@H](C)c2ccc(Br)cn2)C1 ZINC000473975726 564260510 /nfs/dbraw/zinc/26/05/10/564260510.db2.gz GCKGJGOJGQHNPM-HIFRSBDPSA-N 1 0 399.333 2.561 20 0 GFADRO C[C@H](NC(=O)c1ncn([C@@H]2CCC[NH2+]C2)n1)c1ccc(Br)s1 ZINC000564992328 564261799 /nfs/dbraw/zinc/26/17/99/564261799.db2.gz LDQGHCKIDWXMBD-VHSXEESVSA-N 1 0 384.303 2.518 20 0 GFADRO CCC[NH+]1CCC(NS(=O)(=O)c2cc(C(=O)OC)cc(Cl)c2C)CC1 ZINC000451010048 564262363 /nfs/dbraw/zinc/26/23/63/564262363.db2.gz SEFFIQIMHGIBQS-UHFFFAOYSA-N 1 0 388.917 2.588 20 0 GFADRO CC[C@H](C)[N@H+](C)CCNS(=O)(=O)c1cc(Br)c(C)cc1OC ZINC000474101133 564264960 /nfs/dbraw/zinc/26/49/60/564264960.db2.gz VGSIARMXSCZNQG-LBPRGKRZSA-N 1 0 393.347 2.775 20 0 GFADRO CC[NH+](CC)[C@H]1CCN(S(=O)(=O)c2cccc(Br)c2C)C1 ZINC000474127295 564265613 /nfs/dbraw/zinc/26/56/13/564265613.db2.gz VHYPNLVMCBSOTR-ZDUSSCGKSA-N 1 0 375.332 2.862 20 0 GFADRO COCCOC[C@@H](O)C[N@@H+]1CCc2nc(-c3ccccc3Cl)sc2C1 ZINC000451039260 564266082 /nfs/dbraw/zinc/26/60/82/564266082.db2.gz PAEPWQCRTJZEPX-ZDUSSCGKSA-N 1 0 382.913 2.846 20 0 GFADRO C[C@@](CO)([NH2+]C[C@@H](O)COc1ccc(Cl)cc1Cl)c1cccc(O)c1 ZINC000451042545 564267236 /nfs/dbraw/zinc/26/72/36/564267236.db2.gz VYHGKZPJDGEOGL-QAPCUYQASA-N 1 0 386.275 2.936 20 0 GFADRO C[N@@H+]1CCCC[C@H]1CCC(=O)NC[C@@H](CO)Cc1ccccc1Br ZINC000508588131 564267637 /nfs/dbraw/zinc/26/76/37/564267637.db2.gz MRMHFAHGIYGZAD-RDJZCZTQSA-N 1 0 397.357 2.981 20 0 GFADRO CC[N@H+](C)CCNC(=O)NCc1ccc(I)cc1Cl ZINC000474185089 564269848 /nfs/dbraw/zinc/26/98/48/564269848.db2.gz SVGMORZODAELIF-UHFFFAOYSA-N 1 0 395.672 2.696 20 0 GFADRO CN(C)C(=O)CN1CCC([NH2+][C@@H]2CCCc3c(Br)cccc32)CC1 ZINC000541220860 564269895 /nfs/dbraw/zinc/26/98/95/564269895.db2.gz AYQJAVUBNIIQEW-GOSISDBHSA-N 1 0 394.357 2.969 20 0 GFADRO CC[N@@H+]1CCCC[C@H]1CNC(=O)NCCOc1ncc(Cl)cc1Cl ZINC000474245776 564271463 /nfs/dbraw/zinc/27/14/63/564271463.db2.gz MVVZWCSWTZCMLG-ZDUSSCGKSA-N 1 0 375.300 2.941 20 0 GFADRO C[C@H](CO)[N@@H+]1CCCN(C(=O)c2cc3c(Br)cccc3cn2)CC1 ZINC000451088567 564271925 /nfs/dbraw/zinc/27/19/25/564271925.db2.gz QHFILRQHWVVPNU-CYBMUJFWSA-N 1 0 392.297 2.526 20 0 GFADRO COc1ccc(Br)cc1C[NH2+][C@H](Cc1ccc(F)cc1)C(N)=O ZINC000541282094 564272215 /nfs/dbraw/zinc/27/22/15/564272215.db2.gz IXJHSYSNXPJCLI-OAHLLOKOSA-N 1 0 381.245 2.783 20 0 GFADRO C[C@]1(C[C@@H]2CCC[N@@H+]2Cc2cnc(-c3ccsc3)s2)NC(=O)NC1=O ZINC000565272461 564273882 /nfs/dbraw/zinc/27/38/82/564273882.db2.gz NWVSIKACSFYQMX-YVEFUNNKSA-N 1 0 376.507 2.824 20 0 GFADRO C[C@@H](CNS(=O)(=O)c1ccc(OCC(F)F)cc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000541326373 564275360 /nfs/dbraw/zinc/27/53/60/564275360.db2.gz CYHDKAGSGAOIJO-KGLIPLIRSA-N 1 0 376.469 2.729 20 0 GFADRO C[C@@H]([NH2+]C1CCN(C(=O)c2ccoc2)CC1)c1ncc(Br)cn1 ZINC000565378630 564278184 /nfs/dbraw/zinc/27/81/84/564278184.db2.gz UDDBABRLQSMAAA-LLVKDONJSA-N 1 0 379.258 2.788 20 0 GFADRO OC[C@@H](C[NH2+]CC1=Cc2cc(Br)ccc2OC1)c1cccnc1 ZINC000565385782 564278669 /nfs/dbraw/zinc/27/86/69/564278669.db2.gz OKEKNVDIUMJDCD-MRXNPFEDSA-N 1 0 375.266 2.986 20 0 GFADRO CN(CC[NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1)C1CCCC1 ZINC000565416851 564280130 /nfs/dbraw/zinc/28/01/30/564280130.db2.gz ILCDTLSLZAJTHC-MRXNPFEDSA-N 1 0 389.309 2.792 20 0 GFADRO C[C@@H](C(=O)N(C)C)[N@@H+]1CC[C@H](Cc2cccc(I)c2)C1 ZINC000451197020 564285489 /nfs/dbraw/zinc/28/54/89/564285489.db2.gz XSERJNDZMISBDI-GXTWGEPZSA-N 1 0 386.277 2.632 20 0 GFADRO Oc1ccc(C[NH2+]C[C@H](O)COc2cc(F)cc(Br)c2)cc1F ZINC000565536068 564285694 /nfs/dbraw/zinc/28/56/94/564285694.db2.gz TUNDGJWDMIJFSZ-ZDUSSCGKSA-N 1 0 388.208 2.962 20 0 GFADRO CN(C)C(=O)CC[NH+]1CCC(NCc2c(F)cccc2Br)CC1 ZINC000474717625 564286544 /nfs/dbraw/zinc/28/65/44/564286544.db2.gz YSQIQCAYHYMCOX-UHFFFAOYSA-N 1 0 386.309 2.621 20 0 GFADRO CC1CC[NH+](CC(=O)N[C@H]2CCN(c3ccc(Br)cc3)C2)CC1 ZINC000474710369 564286703 /nfs/dbraw/zinc/28/67/03/564286703.db2.gz KPRVOXIXOMPJBZ-INIZCTEOSA-N 1 0 380.330 2.876 20 0 GFADRO COCC[N@@H+]1CC[C@H](NC(=O)N2CCc3c(Br)cccc3[C@@H]2C)C1 ZINC000509199519 564286810 /nfs/dbraw/zinc/28/68/10/564286810.db2.gz XWLHUNJNDJMCOM-KBPBESRZSA-N 1 0 396.329 2.799 20 0 GFADRO Cc1ccc(S(=O)(=O)[C@H]2CCCC[C@H]2[NH2+]CCN2CCSCC2)cc1 ZINC000541734309 564286887 /nfs/dbraw/zinc/28/68/87/564286887.db2.gz LYPLEKSRRUITOU-MOPGFXCFSA-N 1 0 382.595 2.718 20 0 GFADRO COCC[NH2+]C1CCN(C(=O)N[C@@H](C)Cc2ccccc2Br)CC1 ZINC000565657197 564289834 /nfs/dbraw/zinc/28/98/34/564289834.db2.gz DBRIGKMDWUELBM-AWEZNQCLSA-N 1 0 398.345 2.790 20 0 GFADRO CC(C)(COc1ncccc1Br)NC(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000541816185 564289858 /nfs/dbraw/zinc/28/98/58/564289858.db2.gz GJRRKQVASQRGMN-GFCCVEGCSA-N 1 0 397.317 2.537 20 0 GFADRO CN(CC[N@H+](C)C1CC1)S(=O)(=O)c1c(Cl)cccc1Br ZINC000509298843 564291961 /nfs/dbraw/zinc/29/19/61/564291961.db2.gz SWFQXKNGHGZQIK-UHFFFAOYSA-N 1 0 381.723 2.817 20 0 GFADRO O=C(NCC1([NH+]2CCSCC2)CCCC1)Nc1ccncc1Br ZINC000541882924 564293845 /nfs/dbraw/zinc/29/38/45/564293845.db2.gz LGSJMBIQTUYEBV-UHFFFAOYSA-N 1 0 399.358 2.749 20 0 GFADRO COC(=O)C1(C[NH2+]Cc2c(F)ccc(I)c2F)CC1 ZINC000474920914 564294219 /nfs/dbraw/zinc/29/42/19/564294219.db2.gz JUVLGELCIGJBFW-UHFFFAOYSA-N 1 0 381.160 2.612 20 0 GFADRO CC[NH+](CC)C[C@H](C)NC(=O)c1cc(I)ccc1F ZINC000474934368 564294862 /nfs/dbraw/zinc/29/48/62/564294862.db2.gz YOUISZFRJZKFJX-JTQLQIEISA-N 1 0 378.229 2.890 20 0 GFADRO Cc1[nH]c(=O)sc1S(=O)(=O)NCC[NH2+][C@H]1CCC[C@@H](CC(C)C)C1 ZINC000474942494 564294968 /nfs/dbraw/zinc/29/49/68/564294968.db2.gz LLORJDWLJRFRRO-KBPBESRZSA-N 1 0 375.560 2.630 20 0 GFADRO C[C@@](O)(C[NH2+]C[C@H](CO)Cc1cccc(OC(F)(F)F)c1)C(F)(F)F ZINC000565775315 564296082 /nfs/dbraw/zinc/29/60/82/564296082.db2.gz NBSGAELYZFLTPN-DGCLKSJQSA-N 1 0 375.309 2.639 20 0 GFADRO Cc1cc(Br)cn2c(C[NH2+][C@@H]3CC(=O)N4CCCC[C@@H]34)cnc12 ZINC000509402581 564296996 /nfs/dbraw/zinc/29/69/96/564296996.db2.gz LKGJRKQNKOBEBM-CABCVRRESA-N 1 0 377.286 2.648 20 0 GFADRO COc1ccc(Br)c(C[NH2+]CCc2nnnn2-c2ccccc2)c1 ZINC000509430017 564298522 /nfs/dbraw/zinc/29/85/22/564298522.db2.gz NLCARZZIPBULNO-UHFFFAOYSA-N 1 0 388.269 2.766 20 0 GFADRO CCN(C)C(=O)[C@@H]([NH2+]CC(=O)Nc1ccc(Br)cc1F)C(C)C ZINC000451313580 564299147 /nfs/dbraw/zinc/29/91/47/564299147.db2.gz NMFPTBFNGDXFQK-HNNXBMFYSA-N 1 0 388.281 2.619 20 0 GFADRO C[C@H]1C[N@H+](C)[C@@H](C)CN1Cc1noc(Cc2ccc(Br)cc2)n1 ZINC000509460658 564300620 /nfs/dbraw/zinc/30/06/20/564300620.db2.gz AVOGMQVDFCHDCY-STQMWFEESA-N 1 0 379.302 2.947 20 0 GFADRO CC(C)N1C(=O)C[C@H]([NH2+][C@H](C)CS(C)(=O)=O)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000542160534 564303120 /nfs/dbraw/zinc/30/31/20/564303120.db2.gz PUXWFJQYCQUFRZ-PJQXDXOGSA-N 1 0 390.908 2.552 20 0 GFADRO C[C@@H](CCc1n[nH]c2ccccc21)[NH2+]CCNS(=O)(=O)c1cccs1 ZINC000542168561 564303256 /nfs/dbraw/zinc/30/32/56/564303256.db2.gz CKZKHFOMXDFKCG-ZDUSSCGKSA-N 1 0 378.523 2.514 20 0 GFADRO O[C@H](C[NH2+][C@@H]1CCCCC[C@H]1O)COc1cc(F)cc(Br)c1 ZINC000565950817 564303468 /nfs/dbraw/zinc/30/34/68/564303468.db2.gz KNXZBLZTABVLCZ-FVQBIDKESA-N 1 0 376.266 2.611 20 0 GFADRO C[N@@H+]1CCC[C@H](CNC(=O)NCC[C@H](O)C(F)(F)F)[C@H]1c1cccs1 ZINC000542186518 564304017 /nfs/dbraw/zinc/30/40/17/564304017.db2.gz VMGCJDNAHFQOBL-XBFCOCLRSA-N 1 0 379.448 2.744 20 0 GFADRO COc1cc(Br)ccc1CCC[N@@H+]1CCC[C@@]2(CNC(=O)C2)C1 ZINC000542209987 564304950 /nfs/dbraw/zinc/30/49/50/564304950.db2.gz RERYCXWRVFHGCP-GOSISDBHSA-N 1 0 381.314 2.992 20 0 GFADRO CC(C)[C@H]([NH2+]Cc1ccsc1Cl)C(=O)N(C)Cc1nnc2n1CCC2 ZINC000475354401 564306778 /nfs/dbraw/zinc/30/67/78/564306778.db2.gz YXRYGKYAHASUJM-HNNXBMFYSA-N 1 0 381.933 2.712 20 0 GFADRO COC(=O)[C@@H]1CC[N@H+](C[C@H](O)COc2cc(Cl)ccc2Cl)C[C@H]1C ZINC000475386672 564307162 /nfs/dbraw/zinc/30/71/62/564307162.db2.gz FGKRYYQNTJWYHT-KWCYVHTRSA-N 1 0 376.280 2.864 20 0 GFADRO O=C(c1cc(F)cc(Br)c1)N1CC[C@H](OCC[NH+]2CCCC2)C1 ZINC000475442185 564308421 /nfs/dbraw/zinc/30/84/21/564308421.db2.gz FODBKAVZFVORQD-INIZCTEOSA-N 1 0 385.277 2.915 20 0 GFADRO CC(C)(C)N1C[C@H]([NH2+]C[C@H](O)COc2ccc(Cl)cc2Cl)CC1=O ZINC000566111098 564310335 /nfs/dbraw/zinc/31/03/35/564310335.db2.gz XYVAQPLAEIKICX-OLZOCXBDSA-N 1 0 375.296 2.722 20 0 GFADRO COCCOC[C@H](O)C[NH2+]Cc1ccc(Br)cc1C(F)(F)F ZINC000566111841 564310503 /nfs/dbraw/zinc/31/05/03/564310503.db2.gz MVYAPQQAIYKMPB-GFCCVEGCSA-N 1 0 386.208 2.581 20 0 GFADRO CS[C@H]1CN(S(=O)(=O)Cc2c(F)cccc2Cl)C[C@H]1[NH+]1CCCC1 ZINC000451406762 564310492 /nfs/dbraw/zinc/31/04/92/564310492.db2.gz KQKFVIBPKCOWHT-CVEARBPZSA-N 1 0 392.949 2.821 20 0 GFADRO CO[C@@H](C[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Br)C1CC1 ZINC000566121224 564310961 /nfs/dbraw/zinc/31/09/61/564310961.db2.gz ATHQWTSNSWHJFY-DOMZBBRYSA-N 1 0 378.694 2.857 20 0 GFADRO Cc1c(Br)cccc1NC(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)[C@@H]1C ZINC000509739596 564312150 /nfs/dbraw/zinc/31/21/50/564312150.db2.gz JANKKMKAXCMGJE-BBRMVZONSA-N 1 0 394.313 2.781 20 0 GFADRO Cc1ccc(NC(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)[C@H]2C)c(Br)c1 ZINC000509790096 564313481 /nfs/dbraw/zinc/31/34/81/564313481.db2.gz IOYJHPTZSHUCAF-CJNGLKHVSA-N 1 0 394.313 2.781 20 0 GFADRO Ic1ccc(CN2CCC[C@H]2C[NH2+][C@@H]2CCOC2)cc1 ZINC000475635449 564314296 /nfs/dbraw/zinc/31/42/96/564314296.db2.gz PUEASNZKZDRVFB-CVEARBPZSA-N 1 0 386.277 2.634 20 0 GFADRO C[C@@]([NH3+])(C(=O)N1CC[C@@H](C2CCOCC2)C1)c1ccc(Br)cc1 ZINC000566191682 564315622 /nfs/dbraw/zinc/31/56/22/564315622.db2.gz TVMKJVQDYGDSBX-KDOFPFPSSA-N 1 0 381.314 2.898 20 0 GFADRO CCOC(=O)CN(C)C(=O)C[N@@H+](Cc1cccc(Br)c1)CC1CC1 ZINC000475737672 564316836 /nfs/dbraw/zinc/31/68/36/564316836.db2.gz MLWVZZIEZIHTAX-UHFFFAOYSA-N 1 0 397.313 2.683 20 0 GFADRO O=C(N[C@@H]1C[NH2+]CCC1(F)F)[C@@H]1C[C@]12CCc1cc(Br)ccc12 ZINC000566211781 564317134 /nfs/dbraw/zinc/31/71/34/564317134.db2.gz KOTIKTIPXOLIGZ-LZWOXQAQSA-N 1 0 385.252 2.766 20 0 GFADRO CC[C@H]1[NH2+]CC[C@@H]1C(=O)NC1(c2cccc(Br)c2)CCOCC1 ZINC000566245462 564318728 /nfs/dbraw/zinc/31/87/28/564318728.db2.gz KMOGIDJRBCQDRL-JKSUJKDBSA-N 1 0 381.314 2.959 20 0 GFADRO CCS(=O)(=O)N1CCC(C[NH2+]Cc2ccc(F)cc2C(F)(F)F)CC1 ZINC000542707697 564322084 /nfs/dbraw/zinc/32/20/84/564322084.db2.gz CPJUYXRTQXCMQA-UHFFFAOYSA-N 1 0 382.423 2.996 20 0 GFADRO C[C@@H](c1ccccc1Br)N(C)C(=O)C(=O)N1CCC(CC[NH3+])CC1 ZINC000566378552 564325376 /nfs/dbraw/zinc/32/53/76/564325376.db2.gz BMZUVKTUPGWVPP-ZDUSSCGKSA-N 1 0 396.329 2.556 20 0 GFADRO CCOC(=O)[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C(N)=O)c1cccc(Br)c1 ZINC000451596671 564329126 /nfs/dbraw/zinc/32/91/26/564329126.db2.gz GRQVVKNVFTUHEE-QLFBSQMISA-N 1 0 383.286 2.687 20 0 GFADRO O=C(NCCC[C@H]1CCC[NH2+]1)c1ccc(S(=O)(=O)c2ccccc2)s1 ZINC000566556134 564331620 /nfs/dbraw/zinc/33/16/20/564331620.db2.gz CEXVQKSRLDYQDE-CQSZACIVSA-N 1 0 378.519 2.843 20 0 GFADRO CO[C@@H]1CCC[C@H]1[NH2+][C@@H](C)C(=O)Nc1ccc(I)cc1 ZINC000451630987 564333061 /nfs/dbraw/zinc/33/30/61/564333061.db2.gz KSKYPQLQFAVUAG-ZLKJLUDKSA-N 1 0 388.249 2.775 20 0 GFADRO Cc1ccc(C[N@H+](CCO)C[C@H](O)COc2ccc(Br)cc2)cc1 ZINC000543060735 564336487 /nfs/dbraw/zinc/33/64/87/564336487.db2.gz KNQDINAARQPJFM-SFHVURJKSA-N 1 0 394.309 2.992 20 0 GFADRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1S(=O)(=O)c1ccccc1OC(F)(F)F ZINC000510538488 564337712 /nfs/dbraw/zinc/33/77/12/564337712.db2.gz MWRAEJSGDPVMEN-STQMWFEESA-N 1 0 378.416 2.833 20 0 GFADRO CS(=O)(=O)N1CC[C@@H](C[NH2+][C@@H]2CCCc3c(Br)cccc32)C1 ZINC000543113802 564338168 /nfs/dbraw/zinc/33/81/68/564338168.db2.gz FGMPHKMJPUDNGR-BLLLJJGKSA-N 1 0 387.343 2.698 20 0 GFADRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1S(=O)(=O)c1ccc(Br)c(F)c1 ZINC000510558220 564338216 /nfs/dbraw/zinc/33/82/16/564338216.db2.gz IVIXVYVOKUJFRW-NWDGAFQWSA-N 1 0 391.306 2.836 20 0 GFADRO CC[N@@H+]1CCC[C@H](CNC(=O)NCc2nc3c(cccc3Br)[nH]2)C1 ZINC000566723484 564340456 /nfs/dbraw/zinc/34/04/56/564340456.db2.gz CQTCOJSODHIPMW-GFCCVEGCSA-N 1 0 394.317 2.857 20 0 GFADRO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)Nc1cccc(Br)c1Cl ZINC000566751178 564341345 /nfs/dbraw/zinc/34/13/45/564341345.db2.gz QQAJAEALZODHHS-SNVBAGLBSA-N 1 0 390.709 2.888 20 0 GFADRO [NH3+]CC[C@H](NC(=O)Cc1csc(Cc2ccc(F)cc2)n1)C(F)(F)F ZINC000566738157 564341425 /nfs/dbraw/zinc/34/14/25/564341425.db2.gz NAGCJNQIWNYFGV-ZDUSSCGKSA-N 1 0 375.391 2.811 20 0 GFADRO Cc1cc(OCCC[C@@H](C)[NH2+]C[C@H]2CS(=O)(=O)CCO2)ccc1Cl ZINC000510746012 564345611 /nfs/dbraw/zinc/34/56/11/564345611.db2.gz BKENGQKZLPLRJY-ZBFHGGJFSA-N 1 0 375.918 2.599 20 0 GFADRO COC(=O)C[C@@H]1CSCC[N@@H+]1C[C@@H](O)CO[C@H](C)c1ccc(Cl)cc1 ZINC000476571597 564346073 /nfs/dbraw/zinc/34/60/73/564346073.db2.gz KJVUJBPMCASZRK-KBRIMQKVSA-N 1 0 387.929 2.759 20 0 GFADRO C[C@H](NC(=O)c1csc(I)c1)C1=CC[N@H+](C)CC1 ZINC000510795234 564347605 /nfs/dbraw/zinc/34/76/05/564347605.db2.gz DWRJZPSJAICNFR-VIFPVBQESA-N 1 0 376.263 2.733 20 0 GFADRO COCC[N@H+](CCc1c(C)nc2sccn2c1=O)Cc1scnc1C ZINC000510796622 564347936 /nfs/dbraw/zinc/34/79/36/564347936.db2.gz KXUQKHKMXSSZKO-UHFFFAOYSA-N 1 0 378.523 2.520 20 0 GFADRO C[C@@H]([NH2+]C1CC1)C(=O)N1CCN([C@H](C)c2ccc(Br)cc2)CC1 ZINC000566912756 564348504 /nfs/dbraw/zinc/34/85/04/564348504.db2.gz KIVXFJWDWRLRQD-ZIAGYGMSSA-N 1 0 380.330 2.795 20 0 GFADRO COC[C@H]([NH2+]CC(=O)Nc1ccc(I)cc1C)C(C)C ZINC000543453112 564351572 /nfs/dbraw/zinc/35/15/72/564351572.db2.gz GZCNHKALSZIKNV-AWEZNQCLSA-N 1 0 390.265 2.799 20 0 GFADRO Cn1[nH]c(C[NH2+]C2(Cc3ccc(Br)cc3)CCCCC2)nc1=O ZINC000543444319 564351623 /nfs/dbraw/zinc/35/16/23/564351623.db2.gz VQYQLMGJSZAUHX-UHFFFAOYSA-N 1 0 379.302 2.906 20 0 GFADRO CC(C)[NH2+]C1(CO)CCN(C[C@@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000567059179 564355442 /nfs/dbraw/zinc/35/54/42/564355442.db2.gz QOTAEUDREYQCBH-OAHLLOKOSA-N 1 0 391.339 2.558 20 0 GFADRO C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1 ZINC000476854664 564355895 /nfs/dbraw/zinc/35/58/95/564355895.db2.gz KCIFTGOXHYCSQC-ZFWWWQNUSA-N 1 0 386.323 2.657 20 0 GFADRO COC(=O)C[C@@](C)(NC(=O)C1CC[NH+](C)CC1)c1ccc(Br)cc1 ZINC000476858437 564356828 /nfs/dbraw/zinc/35/68/28/564356828.db2.gz QQVHWAQQMYZBPA-GOSISDBHSA-N 1 0 397.313 2.685 20 0 GFADRO CC(=O)c1cc(Br)ccc1OCC(=O)N(C)CC[NH+]1CCCC1 ZINC000511158651 564360577 /nfs/dbraw/zinc/36/05/77/564360577.db2.gz NKYFCBMXXLSCSX-UHFFFAOYSA-N 1 0 383.286 2.585 20 0 GFADRO O[C@@H](COc1cc(F)cc(Br)c1)C[N@@H+]1CCC[C@]2(CCOC2)C1 ZINC000451906113 564364258 /nfs/dbraw/zinc/36/42/58/564364258.db2.gz DZOSYCITPVLBLW-WBVHZDCISA-N 1 0 388.277 2.830 20 0 GFADRO OC[C@H]([NH2+]C[C@@H](O)COc1ccc(Br)cc1)c1cccc(F)c1 ZINC000543810155 564364723 /nfs/dbraw/zinc/36/47/23/564364723.db2.gz MIIMWVJEVQIBLC-WBVHZDCISA-N 1 0 384.245 2.651 20 0 GFADRO O=S1(=O)CCCN1C1CC[NH+](Cc2cc(Cl)cc3cccnc32)CC1 ZINC000567331374 564367186 /nfs/dbraw/zinc/36/71/86/564367186.db2.gz DWUWOCPNHDADTE-UHFFFAOYSA-N 1 0 379.913 2.888 20 0 GFADRO C[C@H](CC[NH3+])NC(=O)c1cc(I)cc(C(F)(F)F)c1 ZINC000477265412 564371484 /nfs/dbraw/zinc/37/14/84/564371484.db2.gz KRPCFTREVCIXAP-SSDOTTSWSA-N 1 0 386.155 2.777 20 0 GFADRO CC(=O)c1cc(Br)ccc1OCC(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000511444978 564372384 /nfs/dbraw/zinc/37/23/84/564372384.db2.gz LPZUQTYGAYGXMK-LLVKDONJSA-N 1 0 383.286 2.629 20 0 GFADRO CS(=O)(=O)N1CCC[C@@H]([NH2+][C@H]2CCCc3c(Br)cccc32)C1 ZINC000544043469 564372822 /nfs/dbraw/zinc/37/28/22/564372822.db2.gz VHCKQWHLPNAYMI-WBMJQRKESA-N 1 0 387.343 2.840 20 0 GFADRO COCC[N@H+](C)CCNC(=O)N1CCC[C@@H]1c1ccc(Br)s1 ZINC000544120996 564376102 /nfs/dbraw/zinc/37/61/02/564376102.db2.gz WHMIGURGNWSXSH-GFCCVEGCSA-N 1 0 390.347 2.935 20 0 GFADRO C[C@@](CO)([NH2+]CCC(=O)Nc1cccnc1)c1ccc(Br)cc1 ZINC000511585477 564376189 /nfs/dbraw/zinc/37/61/89/564376189.db2.gz BWRYDHDVCDQXRG-KRWDZBQOSA-N 1 0 378.270 2.670 20 0 GFADRO CC[N@@H+]1CCN(Cc2nc(Cc3cccc(Br)c3)no2)[C@@H](C)C1 ZINC000511608435 564377323 /nfs/dbraw/zinc/37/73/23/564377323.db2.gz CPTSXBKAAWUGEV-ZDUSSCGKSA-N 1 0 379.302 2.949 20 0 GFADRO Cn1nc2c(c1C[NH2+]C[C@H](O)COc1ccc(Br)cc1)CCCC2 ZINC000567582758 564378723 /nfs/dbraw/zinc/37/87/23/564378723.db2.gz ZKPHCTPUFCVLQQ-AWEZNQCLSA-N 1 0 394.313 2.591 20 0 GFADRO C[C@H]1CN(S(=O)(=O)c2ccc(C[NH+](C)C)cc2)C[C@H](c2ccsc2)O1 ZINC000477482732 564378772 /nfs/dbraw/zinc/37/87/72/564378772.db2.gz SYGJKYAROUJWER-KBXCAEBGSA-N 1 0 380.535 2.960 20 0 GFADRO C[NH+](C)Cc1ccc(S(=O)(=O)NCCc2nc(C(F)(F)F)cs2)cc1 ZINC000477573471 564381194 /nfs/dbraw/zinc/38/11/94/564381194.db2.gz RJAXKRMXNHSIIT-UHFFFAOYSA-N 1 0 393.456 2.745 20 0 GFADRO O=C(NCCC[C@@H]1CCC[NH2+]1)c1ccc(I)c(F)c1 ZINC000567671192 564382162 /nfs/dbraw/zinc/38/21/62/564382162.db2.gz HLUPAVKCHGOCPC-NSHDSACASA-N 1 0 376.213 2.692 20 0 GFADRO [NH3+]CC[C@H]1CCCCN1C(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000567672089 564382354 /nfs/dbraw/zinc/38/23/54/564382354.db2.gz AYMAPAVPUOFBKJ-UONOGXRCSA-N 1 0 394.313 2.532 20 0 GFADRO O=C(CC[NH2+]C[C@@H](O)Cc1ccccc1)Nc1ccc(Br)cc1 ZINC000567678482 564382557 /nfs/dbraw/zinc/38/25/57/564382557.db2.gz UKLIKRPHPMIBPT-KRWDZBQOSA-N 1 0 377.282 2.971 20 0 GFADRO CC[NH+]1CCN(CCNC(=O)c2c(C)cc(Br)cc2Cl)CC1 ZINC000477643766 564382801 /nfs/dbraw/zinc/38/28/01/564382801.db2.gz IKUOWSVFCLSWBH-UHFFFAOYSA-N 1 0 388.737 2.778 20 0 GFADRO CCc1ccc([C@H](CNC(=O)Cn2cc(Br)cn2)[NH+](C)C)cc1 ZINC000511816820 564383063 /nfs/dbraw/zinc/38/30/63/564383063.db2.gz HHTRIYVUIFQVGC-INIZCTEOSA-N 1 0 379.302 2.627 20 0 GFADRO O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000567785791 564388276 /nfs/dbraw/zinc/38/82/76/564388276.db2.gz RBWHWDXCDPJDOE-HOTGVXAUSA-N 1 0 384.307 2.915 20 0 GFADRO CC(C)[C@H]1[NH2+]CC[C@@H]1C(=O)NCCNc1ncc(C(F)(F)F)cc1Cl ZINC000567775259 564388474 /nfs/dbraw/zinc/38/84/74/564388474.db2.gz FWTRBTLCNLUAIF-WCQYABFASA-N 1 0 378.826 2.916 20 0 GFADRO O=S(=O)(c1nc2ccccc2s1)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000567783049 564388562 /nfs/dbraw/zinc/38/85/62/564388562.db2.gz KQUADQUKOGPKAJ-CJNGLKHVSA-N 1 0 377.535 2.934 20 0 GFADRO O=S(=O)(CC[NH2+][C@@H]1CCCc2c(Cl)cccc21)NC[C@H]1CCCCO1 ZINC000544575947 564388816 /nfs/dbraw/zinc/38/88/16/564388816.db2.gz JBLGCKVPJPXMPY-RDTXWAMCSA-N 1 0 386.945 2.796 20 0 GFADRO C[C@H](c1ccccc1Br)[N@@H+]1CCC[C@](O)(C(=O)N2CCCC2)C1 ZINC000452093152 564390988 /nfs/dbraw/zinc/39/09/88/564390988.db2.gz IMBSTMREGZAQNM-RDTXWAMCSA-N 1 0 381.314 2.959 20 0 GFADRO CN(CC(C)(C)C[NH3+])S(=O)(=O)Cc1ccc(Cl)cc1Br ZINC000567852839 564392807 /nfs/dbraw/zinc/39/28/07/564392807.db2.gz UHPKJIZKSCYMHW-UHFFFAOYSA-N 1 0 383.739 2.849 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1)C1CC1 ZINC000477914794 564391061 /nfs/dbraw/zinc/39/10/61/564391061.db2.gz AEHVGRVWESMILF-SWLSCSKDSA-N 1 0 387.343 2.990 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)N1CC[NH+]([C@H](CC)CO)CC1 ZINC000477953817 564391581 /nfs/dbraw/zinc/39/15/81/564391581.db2.gz DBYJHWICIRORDX-OAHLLOKOSA-N 1 0 384.318 2.932 20 0 GFADRO C[NH+](C)C1CCN(C(=O)c2cc(Br)cnc2OCC2CC2)CC1 ZINC000512135371 564392232 /nfs/dbraw/zinc/39/22/32/564392232.db2.gz JEOJWKPBDOMVPZ-UHFFFAOYSA-N 1 0 382.302 2.799 20 0 GFADRO C[C@@H](c1cccc(Br)c1)[N@@H+]1CCC[C@@](O)(C(=O)N2CCCC2)C1 ZINC000452101807 564393070 /nfs/dbraw/zinc/39/30/70/564393070.db2.gz SZJMINRVEXZXPA-KSSFIOAISA-N 1 0 381.314 2.959 20 0 GFADRO CCCOc1c(Br)cc(C(=O)N[C@@H](CC[NH3+])C(F)F)cc1OC ZINC000567849195 564393076 /nfs/dbraw/zinc/39/30/76/564393076.db2.gz OHSUMSAUSQVXEJ-NSHDSACASA-N 1 0 395.244 2.959 20 0 GFADRO O=C(CCNC(=O)[C@H]1CCC[NH2+]1)Nc1nc(-c2ccccc2Cl)cs1 ZINC000567892500 564394347 /nfs/dbraw/zinc/39/43/47/564394347.db2.gz HPYZPDGBBPVMIW-CYBMUJFWSA-N 1 0 378.885 2.660 20 0 GFADRO CC[NH+](CC)C[C@@H](C)NC(=O)COc1ccc(Br)cc1C(C)=O ZINC000512325338 564397998 /nfs/dbraw/zinc/39/79/98/564397998.db2.gz VJCPQVJKULQQFW-GFCCVEGCSA-N 1 0 385.302 2.877 20 0 GFADRO Cc1c[nH]cc(C(=O)N(CC[NH+](C)C)Cc2ccc(Br)cc2)c1=O ZINC000512333822 564398004 /nfs/dbraw/zinc/39/80/04/564398004.db2.gz XNYQEFWYPTXPKL-UHFFFAOYSA-N 1 0 392.297 2.650 20 0 GFADRO CCC[C@@H]1C[NH2+]CCN1C(=O)c1ccc(-n2cc(Br)cn2)cc1 ZINC000568086413 564404176 /nfs/dbraw/zinc/40/41/76/564404176.db2.gz UMTIXVOODGSDDP-MRXNPFEDSA-N 1 0 377.286 2.849 20 0 GFADRO COCC1(C(=O)N[C@H](C)c2ccc(Br)cc2OC)CC[NH2+]CC1 ZINC000568085748 564404596 /nfs/dbraw/zinc/40/45/96/564404596.db2.gz WZJVAIMVXWFOLP-GFCCVEGCSA-N 1 0 385.302 2.651 20 0 GFADRO CC[C@H](C(=O)N1CCNC(=O)[C@H]1c1ccc(Br)cc1)[NH+](CC)CC ZINC000478540389 564406443 /nfs/dbraw/zinc/40/64/43/564406443.db2.gz RVJRRTYMFIPTPN-HZPDHXFCSA-N 1 0 396.329 2.569 20 0 GFADRO O=C(COc1cc(Cl)c(Cl)cc1Cl)NC[C@@H]1CCC[N@H+]1CCCO ZINC000452349688 564406662 /nfs/dbraw/zinc/40/66/62/564406662.db2.gz NJFRLOYSLJRUTR-NSHDSACASA-N 1 0 395.714 2.989 20 0 GFADRO Cc1nn(C)cc1[C@@H](C)[NH2+]C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000568165142 564407005 /nfs/dbraw/zinc/40/70/05/564407005.db2.gz PHMJJITVYJTYDP-YGRLFVJLSA-N 1 0 386.265 2.721 20 0 GFADRO C[C@@H]1[C@H]([N@H+](C)CCO)CCN1C(=O)COc1c(Cl)cc(Cl)cc1Cl ZINC000452349324 564407057 /nfs/dbraw/zinc/40/70/57/564407057.db2.gz BEGSHQRDBSFEKU-QMTHXVAHSA-N 1 0 395.714 2.939 20 0 GFADRO O=C(CCCOc1ccccc1Br)NC[C@@H]1CCC[N@H+]1CCCO ZINC000452346724 564407114 /nfs/dbraw/zinc/40/71/14/564407114.db2.gz HFPYRIXZXUSDGU-HNNXBMFYSA-N 1 0 399.329 2.571 20 0 GFADRO CN(C)C1(C[NH2+]C[C@H](O)COc2cc(F)cc(Br)c2)CCCC1 ZINC000568254496 564410935 /nfs/dbraw/zinc/41/09/35/564410935.db2.gz ASDDNRYDFBDQRB-HNNXBMFYSA-N 1 0 389.309 2.792 20 0 GFADRO C[NH+](C)C[C@H](O)COc1ccc(NC(=O)c2c(Cl)cncc2Cl)cc1 ZINC000568304896 564413172 /nfs/dbraw/zinc/41/31/72/564413172.db2.gz CIPIWJQTFQGWPZ-LBPRGKRZSA-N 1 0 384.263 2.942 20 0 GFADRO CS(=O)(=O)N[C@@H]1CCCC[C@@H]1C[NH2+]Cc1ccc(OCC(F)F)cc1 ZINC000512861404 564414454 /nfs/dbraw/zinc/41/44/54/564414454.db2.gz OPXZJYOGBWEMOZ-GDBMZVCRSA-N 1 0 376.469 2.528 20 0 GFADRO CC[NH+]1CCC(CNS(=O)(=O)c2cc(C)cc(Br)c2)CC1 ZINC000568351763 564414768 /nfs/dbraw/zinc/41/47/68/564414768.db2.gz DTTLMANEWWIOFQ-UHFFFAOYSA-N 1 0 375.332 2.768 20 0 GFADRO CS(=O)(=O)N[C@@H]1CCCC[C@H]1C[NH2+]Cc1cccc(Br)c1 ZINC000512909397 564415984 /nfs/dbraw/zinc/41/59/84/564415984.db2.gz XZLDDAZPDBNMNM-DZGCQCFKSA-N 1 0 375.332 2.647 20 0 GFADRO COc1cc(OC)c(S(=O)(=O)N2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc1Cl ZINC000568375338 564416538 /nfs/dbraw/zinc/41/65/38/564416538.db2.gz HEHGLDXXCAZJID-OCCSQVGLSA-N 1 0 388.917 2.510 20 0 GFADRO CC[C@H](C)[N@H+](C)CCNC(=O)N(CCO)Cc1ccc(Br)s1 ZINC000478896962 564418122 /nfs/dbraw/zinc/41/81/22/564418122.db2.gz HSFRKONZDDLLJT-LBPRGKRZSA-N 1 0 392.363 2.745 20 0 GFADRO C[N@H+](CC(=O)N[C@H](CCO)c1cccc(C(F)(F)F)c1)[C@H]1CCSC1 ZINC000452533034 564418797 /nfs/dbraw/zinc/41/87/97/564418797.db2.gz LMPPJUBCBKQNKU-LSDHHAIUSA-N 1 0 376.444 2.682 20 0 GFADRO CCN(CCO)CC[NH2+]Cc1cc(Br)cc(Br)c1 ZINC000568438935 564419088 /nfs/dbraw/zinc/41/90/88/564419088.db2.gz QEQLFGWVQRVLAM-UHFFFAOYSA-N 1 0 380.124 2.615 20 0 GFADRO Cc1ccc(Br)c(S(=O)(=O)NCC[NH2+][C@@H]2CC[C@H](C)C2)c1 ZINC000513050369 564419218 /nfs/dbraw/zinc/41/92/18/564419218.db2.gz FUKKEZYHOPDALY-WCQYABFASA-N 1 0 375.332 2.814 20 0 GFADRO COC(=O)C[C@@](C)([NH2+]CCCN1CCOCC1)c1ccc(Br)cc1 ZINC000513116375 564421162 /nfs/dbraw/zinc/42/11/62/564421162.db2.gz DKGRDRSBGIZNBV-GOSISDBHSA-N 1 0 399.329 2.539 20 0 GFADRO COC(=O)C[C@@](C)([NH2+]C[C@@H](O)CSC)c1ccc(Br)cc1 ZINC000513122048 564421209 /nfs/dbraw/zinc/42/12/09/564421209.db2.gz LDCJLWIQVFESJY-UKRRQHHQSA-N 1 0 376.316 2.541 20 0 GFADRO CS[C@H]1CN(C(=O)Nc2cn(CC(C)C)nc2C(F)F)C[C@@H]1[NH+](C)C ZINC000545438993 564423585 /nfs/dbraw/zinc/42/35/85/564423585.db2.gz WJANFXGJDZLDTB-STQMWFEESA-N 1 0 375.489 2.986 20 0 GFADRO CN1CCN(C(=O)CC[NH2+][C@H]2CC(C)(C)c3ccc(Br)cc32)CC1 ZINC000479067211 564423932 /nfs/dbraw/zinc/42/39/32/564423932.db2.gz VRUNOOMOCGYEDG-KRWDZBQOSA-N 1 0 394.357 2.925 20 0 GFADRO C[C@@H](NC(=O)c1ccc(-n2cc(Br)cn2)cc1)[C@@H]1CCC[NH2+]C1 ZINC000568619985 564426745 /nfs/dbraw/zinc/42/67/45/564426745.db2.gz TUXRNQPPGBKRLL-TZMCWYRMSA-N 1 0 377.286 2.753 20 0 GFADRO CN1CCN(C(=O)Nc2ccc(Br)c3ccccc23)[C@H](C[NH3+])C1 ZINC000568605851 564426942 /nfs/dbraw/zinc/42/69/42/564426942.db2.gz AFLKWHWCKIYHLX-GFCCVEGCSA-N 1 0 377.286 2.709 20 0 GFADRO CCOC(=O)COc1c(Br)cc(C)cc1C[N@H+](C)C1CC(O)C1 ZINC000545549277 564427492 /nfs/dbraw/zinc/42/74/92/564427492.db2.gz HPVYVQNYVMJRNI-UHFFFAOYSA-N 1 0 386.286 2.655 20 0 GFADRO CNC(=O)[C@H](C[NH2+]Cc1cncc(Br)c1)Cc1ccc(F)cc1C ZINC000568626534 564427947 /nfs/dbraw/zinc/42/79/47/564427947.db2.gz IXIPBRWCKWUKJG-HNNXBMFYSA-N 1 0 394.288 2.986 20 0 GFADRO O=C1[C@@H]([NH2+]C2CCN(CCC(F)(F)F)CC2)CCCN1CC(F)(F)F ZINC000513464220 564430536 /nfs/dbraw/zinc/43/05/36/564430536.db2.gz VWNBRQNYEDQEDB-LBPRGKRZSA-N 1 0 375.357 2.546 20 0 GFADRO CN(C)S(=O)(=O)N1CCCN(Cc2cc(Cl)cc(C(F)(F)F)c2)CC1 ZINC000568692218 564430791 /nfs/dbraw/zinc/43/07/91/564430791.db2.gz YJXYFQXGAHKOPS-UHFFFAOYSA-N 1 0 399.866 2.673 20 0 GFADRO CC[C@H](C(=O)NCc1nn(C)cc1Br)[N@H+](C)Cc1ccccc1 ZINC000452769058 564430990 /nfs/dbraw/zinc/43/09/90/564430990.db2.gz WUNALVNIJBCJPR-MRXNPFEDSA-N 1 0 379.302 2.709 20 0 GFADRO Cn1ccc([C@H](NC(=O)C[N@H+](C)[C@H]2CCSC2)c2ccc(Cl)cc2)n1 ZINC000545850097 564433135 /nfs/dbraw/zinc/43/31/35/564433135.db2.gz IGRGWMPVQWCLIM-MAUKXSAKSA-N 1 0 378.929 2.716 20 0 GFADRO COc1ccc(S(=O)(=O)N[C@@H](C)C[NH+]2CCCCC2)c(Br)c1 ZINC000479318129 564435359 /nfs/dbraw/zinc/43/53/59/564435359.db2.gz LAFLERULNHTKOR-LBPRGKRZSA-N 1 0 391.331 2.610 20 0 GFADRO C[C@H](c1ccccc1Br)[N@@H+]1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC000513685336 564435629 /nfs/dbraw/zinc/43/56/29/564435629.db2.gz YUNIQLZGQCQGAS-OLZOCXBDSA-N 1 0 375.332 2.771 20 0 GFADRO CC[NH+](CC)CCS(=O)(=O)N[C@H](C)Cc1ccc(F)c(Br)c1 ZINC000568816675 564436268 /nfs/dbraw/zinc/43/62/68/564436268.db2.gz NMYWSBYSJGBEEQ-GFCCVEGCSA-N 1 0 395.338 2.780 20 0 GFADRO Cc1cc(C)c(S(N)(=O)=O)cc1[C@@H](C)[NH2+]C[C@H](c1ccsc1)N(C)C ZINC000479346669 564436427 /nfs/dbraw/zinc/43/64/27/564436427.db2.gz GLSYRHBDIGZNFH-RHSMWYFYSA-N 1 0 381.567 2.966 20 0 GFADRO CCc1cc(Br)ccc1NC(=O)C(=O)NCCC[NH+]1CCCC1 ZINC000479321184 564436434 /nfs/dbraw/zinc/43/64/34/564436434.db2.gz PPAFKZCAZITPNX-UHFFFAOYSA-N 1 0 382.302 2.552 20 0 GFADRO CO[C@]1(C[NH2+][C@@H](C)c2ccc(F)c(I)c2)CCOC1 ZINC000453194338 564449975 /nfs/dbraw/zinc/44/99/75/564449975.db2.gz JEAWSDZHGYRKJD-HZMBPMFUSA-N 1 0 379.213 2.886 20 0 GFADRO O=C(Cc1ccc(Cl)s1)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000513806302 564439605 /nfs/dbraw/zinc/43/96/05/564439605.db2.gz GXHSAWWDOARKLN-WBVHZDCISA-N 1 0 378.925 2.943 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(Cl)c(I)c3)C[C@@H]21 ZINC000453023312 564442734 /nfs/dbraw/zinc/44/27/34/564442734.db2.gz CYSSVSXJEWIPOJ-MFKMUULPSA-N 1 0 390.652 2.721 20 0 GFADRO C[C@@H](C[NH2+]CCSCCOc1cccc(Br)c1)S(C)(=O)=O ZINC000568976596 564443328 /nfs/dbraw/zinc/44/33/28/564443328.db2.gz YTHXHTGUYPORTO-LBPRGKRZSA-N 1 0 396.372 2.584 20 0 GFADRO O=C1NC2(CCCC2)C(=O)N1CC[NH2+]Cc1ccc(F)cc1Br ZINC000479592777 564444312 /nfs/dbraw/zinc/44/43/12/564444312.db2.gz NYNVHMULEBYGAY-UHFFFAOYSA-N 1 0 384.249 2.542 20 0 GFADRO C[N@H+](C[C@H](O)COc1ccc(I)c(Cl)c1)C1CC1 ZINC000453040632 564445143 /nfs/dbraw/zinc/44/51/43/564445143.db2.gz QQPSWEMYTZJFLR-JTQLQIEISA-N 1 0 381.641 2.779 20 0 GFADRO CCC[N@@H+]1CCC[C@H]1C(=O)NCCc1cn2cc(Br)cc(C)c2n1 ZINC000546122132 564446107 /nfs/dbraw/zinc/44/61/07/564446107.db2.gz VKWNIVBKNWHMTQ-INIZCTEOSA-N 1 0 393.329 2.938 20 0 GFADRO COCCN1CC[C@@H]([NH2+][C@@H](C)c2ccc(F)c(I)c2)C1 ZINC000453109477 564446650 /nfs/dbraw/zinc/44/66/50/564446650.db2.gz MUFVWFISKMUZOG-WCQYABFASA-N 1 0 392.256 2.802 20 0 GFADRO C[C@@H](Cc1cnccn1)[NH2+]CCCNC(=O)c1cccc(Br)c1 ZINC000453100797 564446932 /nfs/dbraw/zinc/44/69/32/564446932.db2.gz WDCVLZVGJRWPAR-ZDUSSCGKSA-N 1 0 377.286 2.580 20 0 GFADRO CCN(CC)S(=O)(=O)CC[NH2+][C@H](Cc1ccccc1Cl)[C@H]1CCCO1 ZINC000453100513 564446974 /nfs/dbraw/zinc/44/69/74/564446974.db2.gz MHPKBZGZHAJFIA-QZTJIDSGSA-N 1 0 388.961 2.691 20 0 GFADRO COCCN(C)CC[NH2+][C@@H](C)c1ccc(F)c(I)c1 ZINC000453101216 564447052 /nfs/dbraw/zinc/44/70/52/564447052.db2.gz YPWVAZCVIVWMKA-NSHDSACASA-N 1 0 380.245 2.659 20 0 GFADRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@H](C)c1ccc(F)c(I)c1 ZINC000453162913 564448411 /nfs/dbraw/zinc/44/84/11/564448411.db2.gz KYNBVAYFWAOCBD-UDZFHETQSA-N 1 0 390.240 2.996 20 0 GFADRO C[NH+](C)CC(C)(C)CNC(=O)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000514493952 564448991 /nfs/dbraw/zinc/44/89/91/564448991.db2.gz SZZSXMQMBWBUNY-CYBMUJFWSA-N 1 0 396.329 2.506 20 0 GFADRO Cc1cc(C)c(C(=O)NCCNc2cc[nH+]cc2)cc1I ZINC000479749302 564449325 /nfs/dbraw/zinc/44/93/25/564449325.db2.gz RGVLEDLMJKZTRA-UHFFFAOYSA-N 1 0 395.244 2.567 20 0 GFADRO CC(C)c1cc(Br)ccc1NC(=O)C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000514588650 564449638 /nfs/dbraw/zinc/44/96/38/564449638.db2.gz QHYPCZMQEGDESO-LBPRGKRZSA-N 1 0 382.302 2.708 20 0 GFADRO [NH3+]C[C@H]1c2ccccc2CCN1S(=O)(=O)c1cccc(Br)c1F ZINC000514603595 564450578 /nfs/dbraw/zinc/45/05/78/564450578.db2.gz TVCPOHARAANHNO-AWEZNQCLSA-N 1 0 399.285 2.835 20 0 GFADRO C[C@@H]([NH2+][C@H]1CCCN(CCCO)C1)c1ccc(I)cc1 ZINC000453253127 564450632 /nfs/dbraw/zinc/45/06/32/564450632.db2.gz CNDFPKLHZAAJKW-CJNGLKHVSA-N 1 0 388.293 2.789 20 0 GFADRO COCCOc1ccc([C@@H](C)[NH2+]CCn2cc(Br)ccc2=O)cc1 ZINC000453240904 564450771 /nfs/dbraw/zinc/45/07/71/564450771.db2.gz CNZGDBRCZOFOQP-CQSZACIVSA-N 1 0 395.297 2.987 20 0 GFADRO C[C@H]([NH2+]C[C@H]1CCCN1CCCO)c1ccc(I)cc1 ZINC000453260783 564450866 /nfs/dbraw/zinc/45/08/66/564450866.db2.gz RLYUCAWMENDQFX-XJKSGUPXSA-N 1 0 388.293 2.789 20 0 GFADRO COc1ccc([C@H](C)[NH2+]CCn2cc(Br)ccc2=O)c(OC)c1 ZINC000453250980 564451029 /nfs/dbraw/zinc/45/10/29/564451029.db2.gz NEAHLPGANVNVTM-LBPRGKRZSA-N 1 0 381.270 2.979 20 0 GFADRO CO[C@@H]([C@H](C)[NH2+][C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1)C1CC1 ZINC000453351463 564453764 /nfs/dbraw/zinc/45/37/64/564453764.db2.gz HEFZVONTSIIMRG-YHAQOWFVSA-N 1 0 391.331 2.561 20 0 GFADRO COc1ccc(C[C@H](CO)C[NH2+][C@@H](C)c2cnccn2)cc1Br ZINC000453340282 564453989 /nfs/dbraw/zinc/45/39/89/564453989.db2.gz BNZQORYSJVKWEO-JSGCOSHPSA-N 1 0 380.286 2.750 20 0 GFADRO COc1ccc(C[C@@H](CO)C[NH2+][C@@H](C)c2nccn2C)cc1Br ZINC000453340344 564454222 /nfs/dbraw/zinc/45/42/22/564454222.db2.gz BQWBTCKMXDCCMW-GXTWGEPZSA-N 1 0 382.302 2.693 20 0 GFADRO C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CCN1C[C@H]2CC[C@@H](C1)O2 ZINC000453374984 564455834 /nfs/dbraw/zinc/45/58/34/564455834.db2.gz ZQDZYXQOVGWTHH-RRQGHBQHSA-N 1 0 396.329 2.619 20 0 GFADRO COc1ccc(Br)cc1C[C@H](CO)C[NH2+][C@H](C)c1ccnn1C ZINC000453393969 564455928 /nfs/dbraw/zinc/45/59/28/564455928.db2.gz ZTCUJZIFRMWFCT-OLZOCXBDSA-N 1 0 382.302 2.693 20 0 GFADRO CSC1(CNS(=O)(=O)c2ccccc2OC(F)(F)F)CC[NH+](C)CC1 ZINC000569293546 564456933 /nfs/dbraw/zinc/45/69/33/564456933.db2.gz IICZEGZGOINATF-UHFFFAOYSA-N 1 0 398.472 2.691 20 0 GFADRO CC1=CC[N@H+](CCNC(=O)C(=O)Nc2nc(-c3cccs3)cs2)CC1 ZINC000546571385 564459529 /nfs/dbraw/zinc/45/95/29/564459529.db2.gz NNJFDJQATFAQMD-UHFFFAOYSA-N 1 0 376.507 2.578 20 0 GFADRO Cc1ccc(F)c(Br)c1NC(=O)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000453595177 564459432 /nfs/dbraw/zinc/45/94/32/564459432.db2.gz VKJHXKZUHOMXHG-UHFFFAOYSA-N 1 0 398.276 2.578 20 0 GFADRO [NH3+]C1CCN(C(=O)NCC2(c3cccc(Br)c3)CCOCC2)CC1 ZINC000514849200 564460396 /nfs/dbraw/zinc/46/03/96/564460396.db2.gz KWPVTQCKRNUVQF-UHFFFAOYSA-N 1 0 396.329 2.630 20 0 GFADRO COc1cc(C[NH2+]C[C@@H]2CC[C@@H](C)O2)cc(I)c1OC ZINC000453634438 564461506 /nfs/dbraw/zinc/46/15/06/564461506.db2.gz SOXNFUNLQACEBQ-PWSUYJOCSA-N 1 0 391.249 2.966 20 0 GFADRO C[C@H](CNC(=O)C(=O)Nc1cc(Cl)cc(Br)c1)[N@H+](C)C1CC1 ZINC000453646058 564462353 /nfs/dbraw/zinc/46/23/53/564462353.db2.gz BBQXDDFPLBEDOD-SECBINFHSA-N 1 0 388.693 2.640 20 0 GFADRO C[C@H](CCCC(F)(F)F)[NH2+]C1CCN(S(=O)(=O)C2CCOCC2)CC1 ZINC000480166842 564462360 /nfs/dbraw/zinc/46/23/60/564462360.db2.gz CCCSAIIVGLIBEQ-CYBMUJFWSA-N 1 0 386.480 2.670 20 0 GFADRO FC(F)[C@@H]1C[NH2+]CCN1Cc1cc2c(cc1Br)OCCCO2 ZINC000569456042 564463559 /nfs/dbraw/zinc/46/35/59/564463559.db2.gz GOEBSDVSLBRFBY-LBPRGKRZSA-N 1 0 377.229 2.649 20 0 GFADRO C[C@@H]([NH3+])[C@H]1CCN(S(=O)(=O)Cc2ccc(Cl)cc2Br)C1 ZINC000569457482 564464067 /nfs/dbraw/zinc/46/40/67/564464067.db2.gz VRFSIHUOXITAHD-ZJUUUORDSA-N 1 0 381.723 2.601 20 0 GFADRO CN(CCC[NH+]1CCCC1)C(=O)c1cc(=O)c2cc(Br)ccc2[nH]1 ZINC000546694053 564464718 /nfs/dbraw/zinc/46/47/18/564464718.db2.gz CQYLUBFWWZSNIF-UHFFFAOYSA-N 1 0 392.297 2.849 20 0 GFADRO C[C@H]([NH2+]C[C@H](c1ccsc1)N(C)C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000480247779 564465977 /nfs/dbraw/zinc/46/59/77/564465977.db2.gz NBDUELVPVUTYKD-KBXCAEBGSA-N 1 0 381.567 2.952 20 0 GFADRO C[NH+](C)[C@@]1(CNC(=O)COc2ccc(Br)cc2F)CCSC1 ZINC000480258419 564466189 /nfs/dbraw/zinc/46/61/89/564466189.db2.gz DFBRAYRZOVYOQA-OAHLLOKOSA-N 1 0 391.306 2.521 20 0 GFADRO COc1ccc(Br)cc1CC(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000480279026 564466583 /nfs/dbraw/zinc/46/65/83/564466583.db2.gz AZZUGCJHYHLNSF-MRXNPFEDSA-N 1 0 387.343 2.554 20 0 GFADRO Clc1ccc(-n2cc(C[NH2+]CCN3C[C@H]4CC[C@@H](C3)O4)nn2)cc1Cl ZINC000515036291 564466830 /nfs/dbraw/zinc/46/68/30/564466830.db2.gz XYDDWZNCAHKPQH-GASCZTMLSA-N 1 0 382.295 2.527 20 0 GFADRO C[C@@H](CCC[NH3+])NC(=O)CCCOc1ccc(I)cc1 ZINC000569574671 564469610 /nfs/dbraw/zinc/46/96/10/564469610.db2.gz NFPUIAHHEYISSK-LBPRGKRZSA-N 1 0 390.265 2.694 20 0 GFADRO Cc1sc2nc(CS[C@H](C)C(=O)NCC3([NH3+])CCC3)[nH]c(=O)c2c1C ZINC000569601213 564470253 /nfs/dbraw/zinc/47/02/53/564470253.db2.gz WFHUFKLMOSGCPX-LLVKDONJSA-N 1 0 380.539 2.633 20 0 GFADRO FC(F)(F)c1cc(Br)cc(C[NH2+][C@@H]2CCc3nnnn3CC2)c1 ZINC000569588082 564470493 /nfs/dbraw/zinc/47/04/93/564470493.db2.gz AWOZWFJSDWZNDD-GFCCVEGCSA-N 1 0 390.207 2.949 20 0 GFADRO CO[C@H](C)[C@@H](C)[NH2+][C@@H](C)C(=O)Nc1ccc(I)cc1 ZINC000515173365 564471475 /nfs/dbraw/zinc/47/14/75/564471475.db2.gz ZMXLVGBYXGDBTR-OUAUKWLOSA-N 1 0 376.238 2.631 20 0 GFADRO C[C@H]1CC[N@H+](CC(=O)NCC2(c3ccc(Br)cc3)CCOCC2)C1 ZINC000515179656 564471743 /nfs/dbraw/zinc/47/17/43/564471743.db2.gz MKBUWHRQUUJOOV-HNNXBMFYSA-N 1 0 395.341 2.955 20 0 GFADRO C[C@H](NC(=O)N1CC[C@H]([NH+]2CCCC2)[C@@H]1C)c1ncc(Br)cn1 ZINC000515297115 564474425 /nfs/dbraw/zinc/47/44/25/564474425.db2.gz HTAFQAGDNIGLNY-OBJOEFQTSA-N 1 0 382.306 2.568 20 0 GFADRO O=C1[C@@H](N2CC[C@]3(C2)CCC[NH2+]C3)CCN1c1cccc(Br)c1 ZINC000569724107 564475848 /nfs/dbraw/zinc/47/58/48/564475848.db2.gz YIABIOGNMMTAIN-FUHWJXTLSA-N 1 0 378.314 2.630 20 0 GFADRO CC[NH+](CC)C[C@H](C)NS(=O)(=O)c1cnn(-c2ccc(Cl)cc2)c1C ZINC000480694437 564482646 /nfs/dbraw/zinc/48/26/46/564482646.db2.gz PGAISFCEROOMDE-ZDUSSCGKSA-N 1 0 384.933 2.843 20 0 GFADRO C[N@@H+]1CC[C@@](O)(CNC(=O)C2(c3cccc(Br)c3)CCCCC2)C1 ZINC000547295645 564483246 /nfs/dbraw/zinc/48/32/46/564483246.db2.gz ZHXQHLUJKSASGV-GOSISDBHSA-N 1 0 395.341 2.834 20 0 GFADRO Cc1cc([C@@H](C)NC(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)c(C)s1 ZINC000569911292 564484131 /nfs/dbraw/zinc/48/41/31/564484131.db2.gz PIHWJGGLLARSKG-RISCZKNCSA-N 1 0 378.464 2.561 20 0 GFADRO C[C@@H](CNC(=O)C(=O)Nc1cc(Cl)ccc1SCC(F)(F)F)[NH+](C)C ZINC000453955313 564485252 /nfs/dbraw/zinc/48/52/52/564485252.db2.gz KVILUUOZCHABGX-VIFPVBQESA-N 1 0 397.850 2.999 20 0 GFADRO CC(C)(CNS(=O)(=O)c1ccccc1Br)C[NH+]1CCCC1 ZINC000480763904 564487753 /nfs/dbraw/zinc/48/77/53/564487753.db2.gz XKRBKILUESWOHJ-UHFFFAOYSA-N 1 0 375.332 2.849 20 0 GFADRO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000570035324 564488430 /nfs/dbraw/zinc/48/84/30/564488430.db2.gz QJYRPZOIOABWBG-DVOMOZLQSA-N 1 0 394.313 2.543 20 0 GFADRO CCN(CCC[NH+]1CCC(C(=O)NCC(F)(F)F)CC1)CC(F)(F)F ZINC000547464556 564490130 /nfs/dbraw/zinc/49/01/30/564490130.db2.gz FFFKUMXMJIUCMH-UHFFFAOYSA-N 1 0 377.373 2.651 20 0 GFADRO Cc1c(Br)cccc1S(=O)(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000480825637 564490133 /nfs/dbraw/zinc/49/01/33/564490133.db2.gz GEPVUTVITGXJEF-HIFRSBDPSA-N 1 0 387.343 2.862 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)C(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000454028576 564492036 /nfs/dbraw/zinc/49/20/36/564492036.db2.gz YTHNYDREEUWDET-UHFFFAOYSA-N 1 0 394.313 2.829 20 0 GFADRO CS[C@H]1CN(S(=O)(=O)Cc2ccc(Cl)c(F)c2)C[C@H]1[NH+]1CCCC1 ZINC000480915711 564495581 /nfs/dbraw/zinc/49/55/81/564495581.db2.gz ZYDIVIGPRXZGCG-CVEARBPZSA-N 1 0 392.949 2.821 20 0 GFADRO CCOCCOC[C@@H](O)C[NH2+]Cc1ccc(Br)c2cccnc12 ZINC000480915784 564495852 /nfs/dbraw/zinc/49/58/52/564495852.db2.gz XWFRHVNYDZDLKV-AWEZNQCLSA-N 1 0 383.286 2.501 20 0 GFADRO COC(=O)c1csc(S(=O)(=O)N[C@@H](C)[C@@H](c2ccccc2)[NH+](C)C)c1 ZINC000480936076 564496374 /nfs/dbraw/zinc/49/63/74/564496374.db2.gz UZTIWCFIGCHZMH-LRDDRELGSA-N 1 0 382.507 2.504 20 0 GFADRO CC1(C)CCC[N@@H+]1CCNC(=O)C(=O)Nc1ccc(Br)c(F)c1 ZINC000454071503 564496392 /nfs/dbraw/zinc/49/63/92/564496392.db2.gz RYRFCAOOUNSBOC-UHFFFAOYSA-N 1 0 386.265 2.517 20 0 GFADRO COCCOc1c(Cl)cc(S(=O)(=O)N[C@H](C)CCCC[NH3+])cc1Cl ZINC000570211186 564496523 /nfs/dbraw/zinc/49/65/23/564496523.db2.gz AFQOIKZMPNCZOP-LLVKDONJSA-N 1 0 399.340 2.814 20 0 GFADRO Cc1ccc(NC(=O)C(=O)NCCCC[N@@H+](C)C2CC2)c(Br)c1 ZINC000454091379 564496978 /nfs/dbraw/zinc/49/69/78/564496978.db2.gz JRTODOKUFJDNLC-UHFFFAOYSA-N 1 0 382.302 2.687 20 0 GFADRO Cc1nn(C)c(C[NH2+]C[C@H]2CC[C@@H](c3nc(C4CC4)no3)O2)c1Br ZINC000570274783 564498780 /nfs/dbraw/zinc/49/87/80/564498780.db2.gz WCTIFACBMOFPHD-YPMHNXCESA-N 1 0 396.289 2.761 20 0 GFADRO O=C(Nc1cc(-c2cc(F)cc(Br)c2)[nH]n1)[C@H]1CC12CC[NH2+]CC2 ZINC000570275488 564499107 /nfs/dbraw/zinc/49/91/07/564499107.db2.gz HOXMFGSSLCFDKN-CYBMUJFWSA-N 1 0 393.260 3.307 20 0 GFADRO C[C@@H]1CCN(C(=O)N[C@@H](c2cncc(Br)c2)C2CC2)C[C@H]1C[NH3+] ZINC000570307132 564501194 /nfs/dbraw/zinc/50/11/94/564501194.db2.gz GYGFWEGALWFRCM-DJSGYFEHSA-N 1 0 381.318 2.922 20 0 GFADRO Cc1cc(F)c(Br)cc1S(=O)(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000481068182 564502544 /nfs/dbraw/zinc/50/25/44/564502544.db2.gz HKLRLVSAHFAAKU-ZIAGYGMSSA-N 1 0 391.306 2.802 20 0 GFADRO COc1c(Br)cc(C[N@H+](C)CCC(N)=O)cc1Br ZINC000516512663 564503639 /nfs/dbraw/zinc/50/36/39/564503639.db2.gz AKKYPRSPUATGEB-UHFFFAOYSA-N 1 0 380.080 2.527 20 0 GFADRO C[C@@H]1CC[NH2+]C[C@H]1NS(=O)(=O)Cc1cc(Cl)ccc1Br ZINC000516569831 564506136 /nfs/dbraw/zinc/50/61/36/564506136.db2.gz JTIQQNZRBLZQGL-NOZJJQNGSA-N 1 0 381.723 2.520 20 0 GFADRO CC(C)CS(=O)(=O)N1CCC([NH2+]Cc2c[nH]nc2-c2ccsc2)CC1 ZINC000547708093 564507848 /nfs/dbraw/zinc/50/78/48/564507848.db2.gz JVGQARYEJKOSGY-UHFFFAOYSA-N 1 0 382.555 2.678 20 0 GFADRO C[NH+](C)C[C@@H](NC(=O)c1ccc(I)cn1)c1ccccc1 ZINC000454367665 564508521 /nfs/dbraw/zinc/50/85/21/564508521.db2.gz HPVNQFRITMLJNK-OAHLLOKOSA-N 1 0 395.244 2.719 20 0 GFADRO CC(C)[NH+](CCNC(=O)c1ccc(I)cn1)C(C)C ZINC000454392329 564509351 /nfs/dbraw/zinc/50/93/51/564509351.db2.gz VBQPLRIPONUJQN-UHFFFAOYSA-N 1 0 375.254 2.535 20 0 GFADRO COCC[N@H+](C)C[C@@H](O)CN1CCC[C@@H]1c1ccc(Br)s1 ZINC000570525225 564511006 /nfs/dbraw/zinc/51/10/06/564511006.db2.gz FYMTYLHEHARDGP-CHWSQXEVSA-N 1 0 377.348 2.587 20 0 GFADRO CC[NH+](CC)CCCNC(=O)[C@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000516832596 564513365 /nfs/dbraw/zinc/51/33/65/564513365.db2.gz KQHNVXLKMSJMNJ-AWEZNQCLSA-N 1 0 396.329 2.650 20 0 GFADRO CC[N@@H+]1CCCN(C(=O)Nc2nnc(-c3c(F)cccc3Cl)s2)CC1 ZINC000547844226 564513699 /nfs/dbraw/zinc/51/36/99/564513699.db2.gz VPVRYERLYKBCLT-UHFFFAOYSA-N 1 0 383.880 3.557 20 0 GFADRO CC(C)[C@@H](O)CC[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000516927587 564517296 /nfs/dbraw/zinc/51/72/96/564517296.db2.gz RKVNPXWPDGNVBA-OCCSQVGLSA-N 1 0 380.710 2.839 20 0 GFADRO C[C@]([NH3+])(C(=O)NC[C@@H](CO)Cc1ccccc1)c1ccc(Br)cc1 ZINC000570680255 564517341 /nfs/dbraw/zinc/51/73/41/564517341.db2.gz LEUPRTOIVHMJSR-HNAYVOBHSA-N 1 0 391.309 2.590 20 0 GFADRO CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000481730549 564520253 /nfs/dbraw/zinc/52/02/53/564520253.db2.gz ANMQMLHKTCOHNK-LKFCYVNXSA-N 1 0 386.265 2.863 20 0 GFADRO C[C@H](CNC(=O)c1ccc(I)cn1)[N@@H+]1CCC[C@@H](C)C1 ZINC000454728931 564520447 /nfs/dbraw/zinc/52/04/47/564520447.db2.gz DCTHRQRCCPSDBJ-VXGBXAGGSA-N 1 0 387.265 2.536 20 0 GFADRO C[C@@H](NC(=O)C(=O)N1CCC[C@@H](C[NH3+])C1)c1cc(F)c(Cl)cc1Cl ZINC000517019947 564521352 /nfs/dbraw/zinc/52/13/52/564521352.db2.gz DKWNORIEYDFPBO-ZJUUUORDSA-N 1 0 376.259 2.507 20 0 GFADRO CCOC(=O)C[C@H]1C[C@H](OC)C[N@@H+]1CCOc1cccc(Br)c1 ZINC000481758776 564522806 /nfs/dbraw/zinc/52/28/06/564522806.db2.gz DQBNMGGJMRZCAJ-ZBFHGGJFSA-N 1 0 386.286 2.870 20 0 GFADRO C[NH+](C)[C@]1(CNC(=O)N2CCC(C(F)(F)F)(C(F)(F)F)C2)CCSC1 ZINC000481799488 564524084 /nfs/dbraw/zinc/52/40/84/564524084.db2.gz WSBPXEKASVMHOL-NSHDSACASA-N 1 0 393.397 2.950 20 0 GFADRO O=C(NCC[C@H]1CCC[NH2+]1)Nc1ccnn1Cc1ccccc1Br ZINC000517223709 564528152 /nfs/dbraw/zinc/52/81/52/564528152.db2.gz GKOSXSHVQDQBMX-CQSZACIVSA-N 1 0 392.301 2.958 20 0 GFADRO [NH3+]CC[C@@H](NC(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1)C(F)F ZINC000570962852 564529546 /nfs/dbraw/zinc/52/95/46/564529546.db2.gz KQNRVPNLOHNPBI-OLZOCXBDSA-N 1 0 394.249 2.697 20 0 GFADRO Cn1cc(NC(=O)NCCCCC[NH+]2CCCC2)cc(Br)c1=O ZINC000454964619 564530216 /nfs/dbraw/zinc/53/02/16/564530216.db2.gz PERKXRQGLVAQNS-UHFFFAOYSA-N 1 0 385.306 2.535 20 0 GFADRO CNC(=O)C[C@H](C)[NH2+]Cc1cc(Cl)c(I)cc1OC ZINC000482009519 564531368 /nfs/dbraw/zinc/53/13/68/564531368.db2.gz URZWVJMQKHGGJP-QMMMGPOBSA-N 1 0 396.656 2.567 20 0 GFADRO O=C(N[C@H](c1cc(F)cc(Br)c1)C1CC1)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000482039850 564532341 /nfs/dbraw/zinc/53/23/41/564532341.db2.gz IYZQTFSCFYETON-IRXDYDNUSA-N 1 0 396.304 2.545 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)N1CCC(n2cc(Br)cn2)CC1 ZINC000517596617 564537494 /nfs/dbraw/zinc/53/74/94/564537494.db2.gz WYXQDIPCYXCQSK-HZPDHXFCSA-N 1 0 396.333 2.619 20 0 GFADRO COc1cc(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC3)C2)cc(OC)c1Br ZINC000517647458 564538527 /nfs/dbraw/zinc/53/85/27/564538527.db2.gz HBDKFKUUBAYESI-CYBMUJFWSA-N 1 0 383.286 2.775 20 0 GFADRO O=C(NCCc1c[nH]c2cccc(Br)c12)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000571184425 564539708 /nfs/dbraw/zinc/53/97/08/564539708.db2.gz YUUMEPHKPZRQTA-GXTWGEPZSA-N 1 0 391.313 2.724 20 0 GFADRO Cc1nc(CNC(=O)N2C[C@@H]3CCCC[N@H+]3C[C@@H]2C)sc1Br ZINC000455201501 564542236 /nfs/dbraw/zinc/54/22/36/564542236.db2.gz ANMJLHXUDUHALI-JQWIXIFHSA-N 1 0 387.347 2.982 20 0 GFADRO Cc1[nH]c(=O)sc1S(=O)(=O)NCC[NH2+]C1CC(C)(C)CC(C)(C)C1 ZINC000482522578 564544252 /nfs/dbraw/zinc/54/42/52/564544252.db2.gz JZCKODVSQOQGFK-UHFFFAOYSA-N 1 0 375.560 2.630 20 0 GFADRO COc1ccc(S(=O)(=O)N2C[C@@H](SC)[C@@H]([NH+]3CCCC3)C2)c(Cl)c1 ZINC000571358409 564547244 /nfs/dbraw/zinc/54/72/44/564547244.db2.gz ASRVLVNUEQERJP-LSDHHAIUSA-N 1 0 390.958 2.549 20 0 GFADRO CS(=O)(=O)N1CC[C@H](C[NH2+]Cc2cnc(-c3ccc(Cl)cc3)s2)C1 ZINC000571350520 564547544 /nfs/dbraw/zinc/54/75/44/564547544.db2.gz VUBBRIHMVLOUOA-GFCCVEGCSA-N 1 0 385.942 2.835 20 0 GFADRO CN(C)S(=O)(=O)c1ccc(C[NH2+][C@@H](c2ccccc2)[C@@H]2CCOC2)s1 ZINC000571397313 564549254 /nfs/dbraw/zinc/54/92/54/564549254.db2.gz DHUIMZUBRIVKAC-QAPCUYQASA-N 1 0 380.535 2.866 20 0 GFADRO OC[C@H]([NH2+]Cc1cnn(-c2ccc(Br)cc2)c1)C1CCOCC1 ZINC000571435035 564550889 /nfs/dbraw/zinc/55/08/89/564550889.db2.gz QKGQBZMVUVVOTG-KRWDZBQOSA-N 1 0 380.286 2.512 20 0 GFADRO C[C@@H](CNC(=O)N[C@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O)[NH+](C)C ZINC000455431097 564553820 /nfs/dbraw/zinc/55/38/20/564553820.db2.gz LDDZLVRLNBITOW-FZMZJTMJSA-N 1 0 387.311 2.738 20 0 GFADRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNS(=O)(=O)c2cc(C(=O)OC)cs2)C1 ZINC000518446087 564554094 /nfs/dbraw/zinc/55/40/94/564554094.db2.gz BYDZRUIKTZVSFM-CYBMUJFWSA-N 1 0 388.555 2.714 20 0 GFADRO C[N@H+](CC(=O)N[C@H](CCO)c1ccc(Cl)c(Cl)c1)[C@@H]1CCSC1 ZINC000518505250 564554892 /nfs/dbraw/zinc/55/48/92/564554892.db2.gz NGVJWABSMYXRCW-IUODEOHRSA-N 1 0 377.337 2.970 20 0 GFADRO [NH3+][C@@H]1CN(C(=O)COc2ccccc2Br)C[C@H]1c1ccccc1 ZINC000518530863 564555819 /nfs/dbraw/zinc/55/58/19/564555819.db2.gz PEEDPRVZEPLNAE-GOEBONIOSA-N 1 0 375.266 2.781 20 0 GFADRO C[C@@H](CC[NH+](C)C)NC(=O)Nc1ccn(-c2ccc(Br)cc2)n1 ZINC000455609914 564559421 /nfs/dbraw/zinc/55/94/21/564559421.db2.gz DILYQIRZKROPCH-LBPRGKRZSA-N 1 0 380.290 3.097 20 0 GFADRO O=C(CCC(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1)c1cc(Cl)sc1Cl ZINC000518766769 564561830 /nfs/dbraw/zinc/56/18/30/564561830.db2.gz RGZSDKBFYIFHHS-LLVKDONJSA-N 1 0 390.336 2.524 20 0 GFADRO CCC[N@H+](CCOc1c(Cl)cc(Cl)cc1Cl)CC(=O)NC(N)=O ZINC000483286151 564563095 /nfs/dbraw/zinc/56/30/95/564563095.db2.gz MMVBTBPGWIDQFR-UHFFFAOYSA-N 1 0 382.675 2.933 20 0 GFADRO CC1(C)CN(Cc2cc(=O)n3cc(Br)ccc3n2)[C@H]1[C@@H]1CCCO1 ZINC000571725773 564563757 /nfs/dbraw/zinc/56/37/57/564563757.db2.gz VFVSYZDBLQUCJK-YOEHRIQHSA-N 1 0 392.297 2.846 20 0 GFADRO CN(CC[NH+]1CCCCC1)Cc1cn(-c2cccc(Br)c2)nn1 ZINC000483357193 564564952 /nfs/dbraw/zinc/56/49/52/564564952.db2.gz PCFYGADQIWRBTO-UHFFFAOYSA-N 1 0 378.318 2.948 20 0 GFADRO O[C@H](C[NH2+][C@H]1CCN2CCCC[C@H]12)COc1cc(F)cc(Br)c1 ZINC000518963762 564566311 /nfs/dbraw/zinc/56/63/11/564566311.db2.gz OHRHMGGTZNJJSQ-HYVNUMGLSA-N 1 0 387.293 2.544 20 0 GFADRO O=C(CC[NH2+]C[C@H](N1CCOCC1)C(F)(F)F)Nc1ccc(Cl)cc1 ZINC000571790818 564567273 /nfs/dbraw/zinc/56/72/73/564567273.db2.gz CPDDJKFGXDGBGX-AWEZNQCLSA-N 1 0 379.810 2.521 20 0 GFADRO CS[C@@H]1CN(C(=O)[C@H](c2cccc(Cl)c2)N(C)C)C[C@@H]1[NH+]1CCCC1 ZINC000483407847 564567404 /nfs/dbraw/zinc/56/74/04/564567404.db2.gz RYYXWFMPMNYMGJ-KSZLIROESA-N 1 0 381.973 2.981 20 0 GFADRO COc1cc(I)ccc1NC(=O)NC[C@H]1CCC[N@@H+]1C ZINC000455735142 564567533 /nfs/dbraw/zinc/56/75/33/564567533.db2.gz MOWKLFDEAKWUQX-LLVKDONJSA-N 1 0 389.237 2.516 20 0 GFADRO O=S1(=O)CC[C@H]([NH2+][C@H]2CCC[C@@H]2CCO)c2cc(Br)ccc21 ZINC000548636879 564568092 /nfs/dbraw/zinc/56/80/92/564568092.db2.gz WVLVVJOOOIUXBA-UGFHNGPFSA-N 1 0 388.327 2.808 20 0 GFADRO Cc1ccsc1[C@H](CO)[NH2+]Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000548626341 564568295 /nfs/dbraw/zinc/56/82/95/564568295.db2.gz FHJOZTFKBRQMAU-ZDUSSCGKSA-N 1 0 394.294 2.650 20 0 GFADRO C[C@H](c1ccccc1Br)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000483488406 564569057 /nfs/dbraw/zinc/56/90/57/564569057.db2.gz YBHRDFXZDCZOAA-RHSMWYFYSA-N 1 0 380.330 2.749 20 0 GFADRO Cn1nnc2cc(C[N@H+](CCO)Cc3ccc(Br)s3)ccc21 ZINC000483493695 564569359 /nfs/dbraw/zinc/56/93/59/564569359.db2.gz XWOWAHGXMRUJPV-UHFFFAOYSA-N 1 0 381.299 2.787 20 0 GFADRO O=C([C@@H](c1ccc(Br)cc1)N1CCCC1)N1CCC2(CC[NH2+]2)CC1 ZINC000571880952 564570824 /nfs/dbraw/zinc/57/08/24/564570824.db2.gz RJBYUMSRRUNSTL-QGZVFWFLSA-N 1 0 392.341 2.941 20 0 GFADRO CC[C@H]1CN(C(=O)Nc2cc(Br)cnc2C)CC[N@@H+]1CCOC ZINC000455793759 564571208 /nfs/dbraw/zinc/57/12/08/564571208.db2.gz DZFHOZFGJYJJDQ-AWEZNQCLSA-N 1 0 385.306 2.727 20 0 GFADRO CN(CCNC(=O)NC[C@H](c1cccs1)[NH+]1CCCC1)CC(F)(F)F ZINC000483679900 564572675 /nfs/dbraw/zinc/57/26/75/564572675.db2.gz HRLLPWKRWQIIMN-CYBMUJFWSA-N 1 0 378.464 2.678 20 0 GFADRO C[C@H]1C[C@H](N(C)C(=O)Nc2cc(N(C)C)c(Br)cn2)CC[N@@H+]1C ZINC000455860579 564575450 /nfs/dbraw/zinc/57/54/50/564575450.db2.gz FHWMOHKZFJTOJH-NWDGAFQWSA-N 1 0 384.322 2.857 20 0 GFADRO Cc1ncncc1C(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000519415972 564576927 /nfs/dbraw/zinc/57/69/27/564576927.db2.gz OVTASNWOIHVUQM-UHFFFAOYSA-N 1 0 377.286 2.752 20 0 GFADRO COC[C@@]1(CNC(=O)N[C@@H]2CCc3c2cccc3Br)CCC[NH2+]1 ZINC000572103229 564580648 /nfs/dbraw/zinc/58/06/48/564580648.db2.gz OFEDQXXRANWSOY-WBVHZDCISA-N 1 0 382.302 2.504 20 0 GFADRO C[NH+]1CCC(Oc2ccc(Cl)cc2NC(=O)NCCC[S@](C)=O)CC1 ZINC000455951449 564581042 /nfs/dbraw/zinc/58/10/42/564581042.db2.gz ZOIHZHVNCFPUDH-VWLOTQADSA-N 1 0 387.933 2.703 20 0 GFADRO COC(=O)c1cc(Br)cc(C(=O)N2CCCC[C@H]2C[NH+](C)C)c1 ZINC000572179640 564584211 /nfs/dbraw/zinc/58/42/11/564584211.db2.gz LTLXAALXWJZTTI-HNNXBMFYSA-N 1 0 383.286 2.792 20 0 GFADRO CC(C)(C)NS(=O)(=O)CC[NH2+][C@@H]1CCc2ccc(Br)cc21 ZINC000549039198 564584733 /nfs/dbraw/zinc/58/47/33/564584733.db2.gz FMSQMCXJDSPWQF-CQSZACIVSA-N 1 0 375.332 2.744 20 0 GFADRO COc1ccc(Br)cc1CN(C)C(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000572227934 564586071 /nfs/dbraw/zinc/58/60/71/564586071.db2.gz PIYZPAIPMGKXFK-JKSUJKDBSA-N 1 0 396.329 2.987 20 0 GFADRO Cc1ccc(CN2C(=O)N[C@]3(CCCC[C@@H]3C[NH3+])C2=O)c(Br)c1 ZINC000519713529 564587983 /nfs/dbraw/zinc/58/79/83/564587983.db2.gz NQAOLFYYBRHSKY-DYVFJYSZSA-N 1 0 380.286 2.697 20 0 GFADRO [NH3+]CCC1CCN(C(=O)C(=O)Nc2cc(Cl)ccc2Br)CC1 ZINC000519760069 564589805 /nfs/dbraw/zinc/58/98/05/564589805.db2.gz QNSHQACTCQLEKE-UHFFFAOYSA-N 1 0 388.693 2.628 20 0 GFADRO C[NH+](C)C1(CNC(=O)N2CCOc3ccc(Br)cc3C2)CCC1 ZINC000549287552 564591468 /nfs/dbraw/zinc/59/14/68/564591468.db2.gz KQGNCZBOPHGRPT-UHFFFAOYSA-N 1 0 382.302 2.837 20 0 GFADRO CC[NH+](CC)C[C@@H](C)NC(=O)[C@H]1CCN(c2ccccc2Br)C1=O ZINC000519995194 564596040 /nfs/dbraw/zinc/59/60/40/564596040.db2.gz YLXXYAKTCIUAOF-ZIAGYGMSSA-N 1 0 396.329 2.649 20 0 GFADRO C[C@]1(CNS(=O)(=O)Cc2ccc(Cl)cc2Br)CCC[NH2+]C1 ZINC000572522994 564598495 /nfs/dbraw/zinc/59/84/95/564598495.db2.gz RJBNLXMINJZAOB-AWEZNQCLSA-N 1 0 395.750 2.912 20 0 GFADRO CCCN(CC[NH+]1CCCCC1)C(=O)c1cc(Br)c(C)n(C)c1=O ZINC000520209241 564598920 /nfs/dbraw/zinc/59/89/20/564598920.db2.gz PAYSPAHDFSBQTE-UHFFFAOYSA-N 1 0 398.345 2.794 20 0 GFADRO CC[C@H](OC)C(=O)Nc1cc(Br)ccc1N1CC[N@H+](C)C[C@@H]1C ZINC000456361215 564602236 /nfs/dbraw/zinc/60/22/36/564602236.db2.gz CLJVYTYIVBPJFM-LRDDRELGSA-N 1 0 384.318 2.953 20 0 GFADRO C[C@@H]1C[N@H+](C)CCN1c1ccc(Br)cc1NC(=O)C[C@H]1CCOC1 ZINC000456367109 564603587 /nfs/dbraw/zinc/60/35/87/564603587.db2.gz JIKVZOWQGPBFNK-ZIAGYGMSSA-N 1 0 396.329 2.955 20 0 GFADRO [NH3+][C@H]1CCc2ncc(NC(=O)Cc3ccc(F)c(Br)c3)cc2C1 ZINC000520566536 564608485 /nfs/dbraw/zinc/60/84/85/564608485.db2.gz HEERARHSVAELHV-LBPRGKRZSA-N 1 0 378.245 2.980 20 0 GFADRO C[NH+](C)C1(CNC(=O)C(=O)NCc2ccc(Cl)cc2Cl)CCCCC1 ZINC000549971750 564611583 /nfs/dbraw/zinc/61/15/83/564611583.db2.gz NSNOVRLACAZETJ-UHFFFAOYSA-N 1 0 386.323 2.990 20 0 GFADRO COCC[N@@H+]1CC[C@H](NC(=O)c2cc(C)nc3cc(Br)ccc32)C1 ZINC000520766001 564612302 /nfs/dbraw/zinc/61/23/02/564612302.db2.gz DXPUCGADGNZRMI-AWEZNQCLSA-N 1 0 392.297 2.756 20 0 GFADRO COc1ccc([C@H](NCc2nn(C)cc2Br)[C@@H]2CCC[NH2+]2)cc1 ZINC000520792936 564613026 /nfs/dbraw/zinc/61/30/26/564613026.db2.gz ZONGRBOWOQOCKC-RDJZCZTQSA-N 1 0 379.302 2.774 20 0 GFADRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)C(=O)Nc1ccccc1Br ZINC000520789784 564613049 /nfs/dbraw/zinc/61/30/49/564613049.db2.gz DAEUFWODDJUPTD-CHWSQXEVSA-N 1 0 382.302 2.767 20 0 GFADRO CCC[NH+]1CCC(NC(=O)C(=O)NCCSc2ccc(Cl)cc2)CC1 ZINC000550090201 564614209 /nfs/dbraw/zinc/61/42/09/564614209.db2.gz XMXYSBCVWJQEMK-UHFFFAOYSA-N 1 0 383.945 2.539 20 0 GFADRO CC[C@@H]1C[N@H+](C)CCCN1S(=O)(=O)Cc1cccc(Br)c1 ZINC000572922633 564615770 /nfs/dbraw/zinc/61/57/70/564615770.db2.gz VOVWJQNWJMXRJT-OAHLLOKOSA-N 1 0 375.332 2.695 20 0 GFADRO CC[NH2+]CCCNC(=O)C(=O)Nc1ccc(Br)c2ccccc12 ZINC000572941935 564616024 /nfs/dbraw/zinc/61/60/24/564616024.db2.gz OZHJIKYRZTWYEV-UHFFFAOYSA-N 1 0 378.270 2.657 20 0 GFADRO O[C@H]1CCC[N@H+](CCCOc2cccc(I)c2)CC1 ZINC000550158245 564616198 /nfs/dbraw/zinc/61/61/98/564616198.db2.gz UIMCYAGKIUDQPT-AWEZNQCLSA-N 1 0 375.250 2.907 20 0 GFADRO CS[C@H]1CN(C(=O)Cc2ccc(F)cc2Br)C[C@@H]1[NH+](C)C ZINC000485497812 564617886 /nfs/dbraw/zinc/61/78/86/564617886.db2.gz VKVCQZHIJYZRNT-KBPBESRZSA-N 1 0 375.307 2.635 20 0 GFADRO O=C(NCC[NH+]1CCC(O)CC1)c1cccn1-c1c(Cl)cccc1Cl ZINC000456584038 564619122 /nfs/dbraw/zinc/61/91/22/564619122.db2.gz OYNWPRPWTWSPLF-UHFFFAOYSA-N 1 0 382.291 2.971 20 0 GFADRO C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)NCc3ccc(Cl)cc3Cl)CC[C@@H]21 ZINC000550290468 564619361 /nfs/dbraw/zinc/61/93/61/564619361.db2.gz JHXANVLUPPWALA-BBRMVZONSA-N 1 0 384.307 2.552 20 0 GFADRO CC(C)N(C)C[C@@H](C)[NH2+]CCS(=O)(=O)c1cccc(Br)c1 ZINC000573083756 564622313 /nfs/dbraw/zinc/62/23/13/564622313.db2.gz IBYDZTKXVGKXOF-CYBMUJFWSA-N 1 0 377.348 2.541 20 0 GFADRO COc1ccc(Br)c2[nH]c(C(=O)N[C@H]3CC[N@@H+](C4CC4)C3)cc21 ZINC000521226711 564622743 /nfs/dbraw/zinc/62/27/43/564622743.db2.gz PMLXKUFBAKDAOM-JTQLQIEISA-N 1 0 378.270 2.906 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1CCCNS(=O)(=O)c1ccc(OC(F)F)c(F)c1 ZINC000521347799 564624350 /nfs/dbraw/zinc/62/43/50/564624350.db2.gz OKTRHWDGYVBNAX-GFCCVEGCSA-N 1 0 380.432 2.970 20 0 GFADRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C(=O)NCc2cccc(Cl)c2Cl)C1 ZINC000550424359 564624283 /nfs/dbraw/zinc/62/42/83/564624283.db2.gz CXDAGBHLHPBFDY-ZDUSSCGKSA-N 1 0 386.323 2.704 20 0 GFADRO COCCO[C@@H]1COCC[C@H]1[NH2+][C@H]1CCc2cc(Br)ccc2C1 ZINC000485719618 564624772 /nfs/dbraw/zinc/62/47/72/564624772.db2.gz OLQRWTLHKXWNGU-RCCFBDPRSA-N 1 0 384.314 2.717 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1cccc(Br)c1Cl ZINC000573151647 564625169 /nfs/dbraw/zinc/62/51/69/564625169.db2.gz MVJWGSNTCRKTGK-SNVBAGLBSA-N 1 0 381.723 2.865 20 0 GFADRO Cc1c(Br)cccc1C[C@H](CO)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000456706314 564625675 /nfs/dbraw/zinc/62/56/75/564625675.db2.gz BOSWXNDGUBDERO-QRTARXTBSA-N 1 0 397.357 2.755 20 0 GFADRO CN(C)[C@H](C[NH2+][C@H]1CCCc2cc(S(N)(=O)=O)ccc21)c1cccs1 ZINC000550606492 564627863 /nfs/dbraw/zinc/62/78/63/564627863.db2.gz VYTSFFSTBIXRGU-DLBZAZTESA-N 1 0 379.551 2.665 20 0 GFADRO CCC[C@@H](C(=O)NC[C@@H](CO)Cc1ccc(F)c(Br)c1)[NH+](C)C ZINC000456718313 564628601 /nfs/dbraw/zinc/62/86/01/564628601.db2.gz MDUZVHUPCGZYQE-BBRMVZONSA-N 1 0 389.309 2.586 20 0 GFADRO C[C@@H](CNC(=O)C(=O)NCc1c(Cl)cccc1Cl)[NH+]1CCC(C)CC1 ZINC000550725383 564629735 /nfs/dbraw/zinc/62/97/35/564629735.db2.gz RDYAUOMZJZILKT-ZDUSSCGKSA-N 1 0 386.323 2.846 20 0 GFADRO C[NH+](C)CCn1ccc(C(=O)N2CCC[C@H]2c2ccc(Br)cn2)n1 ZINC000573265779 564630348 /nfs/dbraw/zinc/63/03/48/564630348.db2.gz JXFZTQIGYGQJHE-INIZCTEOSA-N 1 0 392.301 2.580 20 0 GFADRO C[NH+](C)CC1CCN(C(=O)NCCOc2ccc(Br)cc2)CC1 ZINC000521605547 564631459 /nfs/dbraw/zinc/63/14/59/564631459.db2.gz XPXKGCLJVABFOR-UHFFFAOYSA-N 1 0 384.318 2.811 20 0 GFADRO CS(=O)(=O)C[C@@H]([NH2+][C@@H]1CCCN(Cc2ccc(F)cc2Cl)C1)C1CC1 ZINC000550885053 564634503 /nfs/dbraw/zinc/63/45/03/564634503.db2.gz CSZPDXPPJXQAFW-SJLPKXTDSA-N 1 0 388.936 2.856 20 0 GFADRO CC[NH+](CC)[C@H](CNC(=O)C(=O)NCc1ccc(C)s1)c1ccsc1 ZINC000550876473 564634584 /nfs/dbraw/zinc/63/45/84/564634584.db2.gz HRSUGBZHCMWTHT-MRXNPFEDSA-N 1 0 379.551 2.934 20 0 GFADRO [NH3+]CCCN(CC1CCCC1)S(=O)(=O)c1cc(F)ccc1OC(F)F ZINC000522000435 564641728 /nfs/dbraw/zinc/64/17/28/564641728.db2.gz MORHTBCHOUVSPE-UHFFFAOYSA-N 1 0 380.432 2.957 20 0 GFADRO COCC1([NH2+]Cc2cc(I)c(OC)c(OC)c2)CCC1 ZINC000551237680 564643952 /nfs/dbraw/zinc/64/39/52/564643952.db2.gz VBOLEKAPAANSKV-UHFFFAOYSA-N 1 0 391.249 2.967 20 0 GFADRO CC(=O)N[C@H](CC(=O)NC[C@@H]1CCC[C@H]([NH3+])C1)c1ccc(Br)cc1 ZINC000573565312 564644281 /nfs/dbraw/zinc/64/42/81/564644281.db2.gz CILNIQLBGLTTEV-XOKHGSTOSA-N 1 0 396.329 2.650 20 0 GFADRO C[C@@H](NC(=O)NCc1n[nH]cc1Br)[C@H](c1ccccc1)[NH+](C)C ZINC000573589337 564645193 /nfs/dbraw/zinc/64/51/93/564645193.db2.gz BNGQSMLBMRIXQI-IAQYHMDHSA-N 1 0 380.290 2.663 20 0 GFADRO COCCN1CC[C@@H]([NH2+]Cc2nc(-c3ccc(Br)cc3)c[nH]2)C1 ZINC000522137211 564645339 /nfs/dbraw/zinc/64/53/39/564645339.db2.gz DDWXFEWQITWRGO-OAHLLOKOSA-N 1 0 379.302 2.650 20 0 GFADRO CC(C)[C@H](C[NH2+]CCC(=O)Nc1cccc(Br)c1)N1CCOCC1 ZINC000573603454 564646138 /nfs/dbraw/zinc/64/61/38/564646138.db2.gz ZOSUPVWHZOSAPH-KRWDZBQOSA-N 1 0 398.345 2.724 20 0 GFADRO C[C@@H]1CC[N@H+](C)CCN1C(=O)CNC(=O)c1sc2ccccc2c1Cl ZINC000522215820 564647011 /nfs/dbraw/zinc/64/70/11/564647011.db2.gz IMMVJPFYXHYKCG-GFCCVEGCSA-N 1 0 379.913 2.837 20 0 GFADRO C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)Cc1cscc1Br ZINC000551344470 564647308 /nfs/dbraw/zinc/64/73/08/564647308.db2.gz OVFRANBIBUFZFM-UHFFFAOYSA-N 1 0 396.310 2.852 20 0 GFADRO C[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1ccc(CCn2cc(Br)cn2)cc1 ZINC000573718885 564650384 /nfs/dbraw/zinc/65/03/84/564650384.db2.gz HRIQUSCEFNSSSZ-BLLLJJGKSA-N 1 0 377.286 2.825 20 0 GFADRO C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000486409667 564651339 /nfs/dbraw/zinc/65/13/39/564651339.db2.gz SJBOPGJFRCLQLK-RVKKMQEKSA-N 1 0 394.357 2.852 20 0 GFADRO C[N@H+](CCCCNC(=O)Cc1cc2c(cc1Br)OCCO2)C1CC1 ZINC000457175695 564651331 /nfs/dbraw/zinc/65/13/31/564651331.db2.gz NSBMLUAEZJEHEO-UHFFFAOYSA-N 1 0 397.313 2.753 20 0 GFADRO CC1CC[NH+](C[C@@H](O)CNC(=O)c2cc3c(cccc3Br)[nH]2)CC1 ZINC000522564946 564652891 /nfs/dbraw/zinc/65/28/91/564652891.db2.gz RHALBWLCCJYAIS-ZDUSSCGKSA-N 1 0 394.313 2.753 20 0 GFADRO C[NH+](C)Cc1ccccc1C(=O)NCc1nc2cc(Br)cnc2[nH]1 ZINC000486477114 564653917 /nfs/dbraw/zinc/65/39/17/564653917.db2.gz GZTUZZAPHIOXRL-UHFFFAOYSA-N 1 0 388.269 2.712 20 0 GFADRO CS(=O)(=O)CCCCC[NH2+]Cc1cccc(I)c1 ZINC000551596111 564656791 /nfs/dbraw/zinc/65/67/91/564656791.db2.gz NBQYHJAMOVVIAA-UHFFFAOYSA-N 1 0 381.279 2.596 20 0 GFADRO [NH3+]C[C@H]1CCCC[C@H]1NC(=O)N1CCOc2ccc(Br)cc2C1 ZINC000573906018 564658626 /nfs/dbraw/zinc/65/86/26/564658626.db2.gz QNLJFZWOFQMGAA-IUODEOHRSA-N 1 0 382.302 2.871 20 0 GFADRO C[C@@H](CNC(=O)N1CC[NH+]2CCC1CC2)Oc1cccc(Br)c1 ZINC000551656342 564658927 /nfs/dbraw/zinc/65/89/27/564658927.db2.gz UMZKNZUNDCCMHZ-ZDUSSCGKSA-N 1 0 382.302 2.706 20 0 GFADRO O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)c1cc(Br)co1 ZINC000457393953 564659462 /nfs/dbraw/zinc/65/94/62/564659462.db2.gz SAVKHHCLGBJZQU-UHFFFAOYSA-N 1 0 392.297 2.590 20 0 GFADRO Cc1cc(Br)cc(C)c1S(=O)(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000486668941 564661903 /nfs/dbraw/zinc/66/19/03/564661903.db2.gz CEWJBFCPFGKCJT-ZFWWWQNUSA-N 1 0 387.343 2.781 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)N[C@H](C)CC[NH+](C)C ZINC000523217246 564663192 /nfs/dbraw/zinc/66/31/92/564663192.db2.gz CHSMKMHUXVBWNJ-CYBMUJFWSA-N 1 0 399.333 2.726 20 0 GFADRO O=C(c1cn(Cc2ccc(Cl)cc2Cl)nn1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000457540150 564664813 /nfs/dbraw/zinc/66/48/13/564664813.db2.gz ILDZTCXNNDVLTG-CQSZACIVSA-N 1 0 380.279 2.553 20 0 GFADRO CN(C[C@@H]1CC[N@H+](C)C1)C(=O)c1cn(Cc2ccc(Cl)cc2Cl)nn1 ZINC000457540521 564665387 /nfs/dbraw/zinc/66/53/87/564665387.db2.gz OMQSSRNEWFIXNL-GFCCVEGCSA-N 1 0 382.295 2.657 20 0 GFADRO C[C@H]([NH2+]CC1(c2ccc(Br)cc2)CCCCC1)C(=O)NC(N)=O ZINC000523390429 564665946 /nfs/dbraw/zinc/66/59/46/564665946.db2.gz JABBLLFWKHTMHZ-LBPRGKRZSA-N 1 0 382.302 2.824 20 0 GFADRO C[C@H]1C[C@@H](NC(=O)c2cn(Cc3ccc(Cl)cc3Cl)nn2)CC[N@@H+]1C ZINC000457611758 564667536 /nfs/dbraw/zinc/66/75/36/564667536.db2.gz VHXJKMRGBAXWHV-FZMZJTMJSA-N 1 0 382.295 2.846 20 0 GFADRO C[C@H]1CSCCN1CC(=O)N(C)CCOc1ccc(Br)cc1 ZINC000523450359 564667687 /nfs/dbraw/zinc/66/76/87/564667687.db2.gz SEPUEVLZBBIZMO-ZDUSSCGKSA-N 1 0 387.343 2.724 20 0 GFADRO Brc1ccccc1-n1cc(CN[C@@H]2CC[N@@H+]3CCCC[C@H]23)nn1 ZINC000574123901 564669599 /nfs/dbraw/zinc/66/95/99/564669599.db2.gz XWIOLJRBKVLXEG-NVXWUHKLSA-N 1 0 376.302 2.746 20 0 GFADRO CC[NH+](CC)[C@@H](C)CNC(=O)N[C@@H]1CCO[C@H]1c1cncc(Br)c1 ZINC000457712645 564670365 /nfs/dbraw/zinc/67/03/65/564670365.db2.gz PYGGFIITNYYASB-MAZHCROVSA-N 1 0 399.333 2.704 20 0 GFADRO Cc1cc(Br)c(C(=O)N2CCC([N@@H+](C)C[C@@H](C)O)CC2)s1 ZINC000457727151 564671113 /nfs/dbraw/zinc/67/11/13/564671113.db2.gz IDHUMUMUVZLWGS-SNVBAGLBSA-N 1 0 375.332 2.736 20 0 GFADRO C[C@H](Cc1ccc(O)cc1)[NH2+]C[C@@H]1CCN(S(=O)(=O)c2cccs2)C1 ZINC000552032763 564674471 /nfs/dbraw/zinc/67/44/71/564674471.db2.gz PSRGPJXGNHHULB-ZBFHGGJFSA-N 1 0 380.535 2.685 20 0 GFADRO C[N@H+](CCc1ccccc1)[C@H]1CCN(S(=O)(=O)CCc2cccs2)C1 ZINC000574465257 564675586 /nfs/dbraw/zinc/67/55/86/564675586.db2.gz HZGPKTJJDVIOCB-SFHVURJKSA-N 1 0 378.563 2.869 20 0 GFADRO C[C@@H](Cc1ccc(Br)cc1)NC(=O)NC[C@H]1CCCC[N@@H+]1CCO ZINC000457861737 564676023 /nfs/dbraw/zinc/67/60/23/564676023.db2.gz CMXOMIXOCBTBDR-WMLDXEAASA-N 1 0 398.345 2.526 20 0 GFADRO C[C@H](Cc1ccc(Br)cc1)NC(=O)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000457867504 564676629 /nfs/dbraw/zinc/67/66/29/564676629.db2.gz HGXSDTUUTDXCFS-PBHICJAKSA-N 1 0 398.345 2.526 20 0 GFADRO COCC[N@@H+]1CC[C@H](NC(=O)NCc2ccc(-c3csc(C)n3)s2)C1 ZINC000524137732 564676886 /nfs/dbraw/zinc/67/68/86/564676886.db2.gz JMAZHFKSJBFQHH-ZDUSSCGKSA-N 1 0 380.539 2.700 20 0 GFADRO CCc1ccc(-c2csc(NC(=O)C(=O)NCC3([NH+](C)C)CC3)n2)s1 ZINC000574524347 564676920 /nfs/dbraw/zinc/67/69/20/564676920.db2.gz AGVRXFGMBXQXEH-UHFFFAOYSA-N 1 0 378.523 2.583 20 0 GFADRO COc1ccc(Br)c(CNC(=O)NCC[C@@H]2CCC[N@H+](C)C2)c1 ZINC000457886317 564677041 /nfs/dbraw/zinc/67/70/41/564677041.db2.gz PMNDVXQNFFTBEH-ZDUSSCGKSA-N 1 0 384.318 2.989 20 0 GFADRO O=C(NC[C@H]1CCC[N@H+]1CCCO)N[C@@H]1CCc2cc(Br)ccc21 ZINC000457935266 564680706 /nfs/dbraw/zinc/68/07/06/564680706.db2.gz DVAJNRHTIAEQIX-NVXWUHKLSA-N 1 0 396.329 2.582 20 0 GFADRO Cc1cc(NC(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)nn1-c1ccc(Cl)c(Cl)c1 ZINC000574620711 564681842 /nfs/dbraw/zinc/68/18/42/564681842.db2.gz ADYBNOFKHSCNCX-TXEJJXNPSA-N 1 0 380.279 3.171 20 0 GFADRO COc1cc(OC)cc(N2CC[C@@H]([NH2+]Cc3c(Br)cnn3C)C2)c1 ZINC000487317290 564682682 /nfs/dbraw/zinc/68/26/82/564682682.db2.gz JGSREYWXMAFLTR-GFCCVEGCSA-N 1 0 395.301 2.568 20 0 GFADRO C[N@@H+]1CC[C@H](Nc2cnc(N3CCOCC3)c(Br)c2)[C@@H]2CCC[C@@H]21 ZINC000552257747 564683548 /nfs/dbraw/zinc/68/35/48/564683548.db2.gz UXJKCZHEGGHJIM-XIRDDKMYSA-N 1 0 395.345 2.965 20 0 GFADRO C[NH+]1CCC(O)(CNC(=O)NCCCOc2ccc(Cl)cc2Cl)CC1 ZINC000524628007 564684301 /nfs/dbraw/zinc/68/43/01/564684301.db2.gz MGXCISQXHSRQJZ-UHFFFAOYSA-N 1 0 390.311 2.518 20 0 GFADRO CC[NH+](CC)CCS(=O)(=O)NCC1(c2ccccc2Cl)CCOCC1 ZINC000574679134 564684286 /nfs/dbraw/zinc/68/42/86/564684286.db2.gz ICORNAKTWMXRIB-UHFFFAOYSA-N 1 0 388.961 2.649 20 0 GFADRO CCn1c(SCC(=O)NCC[N@@H+]2CC[C@@H](C)C2)nnc1-c1cccs1 ZINC000524720357 564686707 /nfs/dbraw/zinc/68/67/07/564686707.db2.gz MQZKKABDEFUIJY-CYBMUJFWSA-N 1 0 379.555 2.577 20 0 GFADRO COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+][C@H](C)C1(S(C)(=O)=O)CC1 ZINC000552338958 564687445 /nfs/dbraw/zinc/68/74/45/564687445.db2.gz UUAKATHLOPJSTL-NWDGAFQWSA-N 1 0 388.917 2.621 20 0 GFADRO C[N@@H+]1CCC[C@]2(CCN(Cc3ncc(I)s3)C2)C1 ZINC000552357521 564687465 /nfs/dbraw/zinc/68/74/65/564687465.db2.gz DAUUIHYQOSGPGE-ZDUSSCGKSA-N 1 0 377.295 2.665 20 0 GFADRO CC[C@@H](C)[N@H+](C)CCNC(=O)N(CCO)Cc1cccc(Br)c1 ZINC000487458003 564689097 /nfs/dbraw/zinc/68/90/97/564689097.db2.gz AUCOLUCNXPQGTQ-CQSZACIVSA-N 1 0 386.334 2.683 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2cc3c(cc2Cl)OCCO3)C[C@@H]1C ZINC000524872081 564689975 /nfs/dbraw/zinc/68/99/75/564689975.db2.gz OEYIWUXMWCOYEO-QWHCGFSZSA-N 1 0 388.917 2.605 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C(=O)N1C[C@@H](C[NH3+])C[C@H]1C ZINC000575044783 564691511 /nfs/dbraw/zinc/69/15/11/564691511.db2.gz YNNWIHPXLZGRJN-DGCLKSJQSA-N 1 0 377.286 2.753 20 0 GFADRO [NH3+]C[C@@H]1CCCC[C@]12NC(=O)N(Cc1c(F)cccc1Br)C2=O ZINC000575043698 564691688 /nfs/dbraw/zinc/69/16/88/564691688.db2.gz MHRVEYPQIURPFT-QFYYESIMSA-N 1 0 384.249 2.528 20 0 GFADRO C[C@H](C[C@H](C)[NH3+])NC(=O)c1sccc1S(=O)(=O)NC1CCCCCC1 ZINC000575047475 564691781 /nfs/dbraw/zinc/69/17/81/564691781.db2.gz SBQFSMSLEJJWPT-QWHCGFSZSA-N 1 0 387.571 2.605 20 0 GFADRO C[N@@H+]1CCC[C@H](CCNC(=O)c2cc(I)ccc2F)C1 ZINC000458171856 564692683 /nfs/dbraw/zinc/69/26/83/564692683.db2.gz BBHOGJSNNVEINI-LLVKDONJSA-N 1 0 390.240 2.892 20 0 GFADRO C[N@@H+]1CCC[C@@H](CCNC(=O)c2ccc(I)cc2F)C1 ZINC000458205992 564693537 /nfs/dbraw/zinc/69/35/37/564693537.db2.gz LRDXZKLKWDVBLV-NSHDSACASA-N 1 0 390.240 2.892 20 0 GFADRO CC(=O)c1cc(Br)ccc1OCC(=O)N(C)CCC[NH+]1CCCC1 ZINC000552562385 564695415 /nfs/dbraw/zinc/69/54/15/564695415.db2.gz GGDPXQGTCYELNG-UHFFFAOYSA-N 1 0 397.313 2.975 20 0 GFADRO C[C@@H]1CC[N@H+](CCNC(=O)[C@@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)C1 ZINC000525293063 564697944 /nfs/dbraw/zinc/69/79/44/564697944.db2.gz TYLYPYCABYKMCM-OCCSQVGLSA-N 1 0 384.307 2.804 20 0 GFADRO C[C@@H](CNC(=O)c1cc(I)ccc1Cl)C[NH+](C)C ZINC000552884288 564703498 /nfs/dbraw/zinc/70/34/98/564703498.db2.gz NCSLMNIBRUEFNG-VIFPVBQESA-N 1 0 380.657 2.872 20 0 GFADRO C[C@H]1C[C@H](NC(=O)NCCNc2ncc(C(F)(F)F)cc2Cl)CC[NH2+]1 ZINC000576211295 564707732 /nfs/dbraw/zinc/70/77/32/564707732.db2.gz PMQOTNLOKDNHEL-GXSJLCMTSA-N 1 0 379.814 2.605 20 0 GFADRO C[C@H]1C[C@H](NC(=O)c2ccc(-n3cc(Br)cn3)cc2)CC[N@@H+]1C ZINC000525766147 564708431 /nfs/dbraw/zinc/70/84/31/564708431.db2.gz UKHVWDOLDINEPY-SWLSCSKDSA-N 1 0 377.286 2.847 20 0 GFADRO C[C@@H]1C[NH2+]CC[C@H]1NS(=O)(=O)Cc1ccc(Cl)cc1Br ZINC000576279181 564710746 /nfs/dbraw/zinc/71/07/46/564710746.db2.gz LJAWZCOOYKMCMZ-NOZJJQNGSA-N 1 0 381.723 2.520 20 0 GFADRO CN(C[C@@H](O)C[NH2+]CC1(c2ccc(Br)cc2)CCOCC1)C1CC1 ZINC000576272370 564711123 /nfs/dbraw/zinc/71/11/23/564711123.db2.gz WXLRFUVVBBVINQ-SFHVURJKSA-N 1 0 397.357 2.542 20 0 GFADRO CSc1cc(N2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)nc(SC)n1 ZINC000576292672 564711704 /nfs/dbraw/zinc/71/17/04/564711704.db2.gz VCTMMPKKJVDAED-YIONKMFJSA-N 1 0 379.599 2.668 20 0 GFADRO C[C@@H]1CCNC(=O)[C@H]1[NH2+]CC(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000576302643 564711847 /nfs/dbraw/zinc/71/18/47/564711847.db2.gz SWCFFPIIOAIGQI-PJQXDXOGSA-N 1 0 384.307 2.771 20 0 GFADRO C[C@@H]1[C@H](C)[S@@](=O)CCN1C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000525981776 564714550 /nfs/dbraw/zinc/71/45/50/564714550.db2.gz JQDVVPUXGDJGMJ-AEUDGJJKSA-N 1 0 383.583 2.682 20 0 GFADRO COc1ccc(S(=O)(=O)N2CC([NH2+][C@@H]3CS[C@H](C(C)(C)C)C3)C2)cc1 ZINC000488571656 564714955 /nfs/dbraw/zinc/71/49/55/564714955.db2.gz GTQOAOVTDHCEKE-GUYCJALGSA-N 1 0 384.567 2.578 20 0 GFADRO C[N@@H+]1CC[C@@]2(CCN(C(=O)NCCOc3ccc(Br)cc3)C2)C1 ZINC000488590095 564715163 /nfs/dbraw/zinc/71/51/63/564715163.db2.gz OFUMZMKRGQQHFS-QGZVFWFLSA-N 1 0 382.302 2.565 20 0 GFADRO C[N@@H+]1CC[C@H](C(=O)N[C@@H](CO)c2ccc(Br)cc2C(F)(F)F)C1 ZINC000526037562 564716931 /nfs/dbraw/zinc/71/69/31/564716931.db2.gz QRUBKCYIWZHZOL-ZANVPECISA-N 1 0 395.219 2.569 20 0 GFADRO CN1CCN(C(=O)C[N@H+](C)[C@@H]2CCSC2)c2ccc(Br)cc21 ZINC000553396570 564717840 /nfs/dbraw/zinc/71/78/40/564717840.db2.gz HKFFYMVPRSJTHI-CYBMUJFWSA-N 1 0 384.343 2.669 20 0 GFADRO O=C(NC[C@H]1CCCC[N@H+]1CCO)NCC(F)(F)c1ccc(Cl)cc1 ZINC000458765949 564717902 /nfs/dbraw/zinc/71/79/02/564717902.db2.gz UHASXPLOTZHRPG-OAHLLOKOSA-N 1 0 375.847 2.578 20 0 GFADRO CC[N@H+](Cc1ccc(Cl)c(Cl)c1)[C@@H](C)C(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000488729480 564718640 /nfs/dbraw/zinc/71/86/40/564718640.db2.gz UCOKTNVSNDQORF-GXTWGEPZSA-N 1 0 386.323 2.928 20 0 GFADRO C[C@H](NC(=O)N1CCO[C@@H](C[NH+](C)C)C1)c1ccc(F)c(Br)c1 ZINC000458845142 564720631 /nfs/dbraw/zinc/72/06/31/564720631.db2.gz ITPOTTGMPGFKQX-AAEUAGOBSA-N 1 0 388.281 2.621 20 0 GFADRO CSc1ccc([C@H](CNC(=O)N(C)C[C@H](O)C(F)(F)F)[NH+](C)C)cc1 ZINC000458905209 564722945 /nfs/dbraw/zinc/72/29/45/564722945.db2.gz VGGCOQRUZKSYCR-KBPBESRZSA-N 1 0 379.448 2.576 20 0 GFADRO Cc1nc(CNC(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)sc1Br ZINC000458923434 564724151 /nfs/dbraw/zinc/72/41/51/564724151.db2.gz JAAIAXVAUQGKCZ-OAHLLOKOSA-N 1 0 387.347 2.841 20 0 GFADRO Cc1nc(CNC(=O)N2CCC(C[NH+](C)C)CC2)sc1Br ZINC000458935221 564724911 /nfs/dbraw/zinc/72/49/11/564724911.db2.gz VLRQLQMKNXOPDY-UHFFFAOYSA-N 1 0 375.336 2.697 20 0 GFADRO Cc1nc(CNC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)sc1Br ZINC000458930914 564724943 /nfs/dbraw/zinc/72/49/43/564724943.db2.gz PLUJZHVNBSSKPX-RYUDHWBXSA-N 1 0 387.347 2.840 20 0 GFADRO Cc1nc(CNC(=O)N(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)sc1Br ZINC000458932673 564725012 /nfs/dbraw/zinc/72/50/12/564725012.db2.gz RAXLNWJKCNTAFN-ONGXEEELSA-N 1 0 375.336 2.696 20 0 GFADRO C[NH+]1CCC2(CCCN2C(=O)Nc2ccc(Cl)c(S(C)(=O)=O)c2)CC1 ZINC000527066193 564728836 /nfs/dbraw/zinc/72/88/36/564728836.db2.gz DSFMYGQLKJCSIL-UHFFFAOYSA-N 1 0 385.917 2.836 20 0 GFADRO CCOC(=O)c1cc(Cl)cc(S(=O)(=O)N(C)C2CC[NH+](CC)CC2)c1 ZINC000489089001 564729329 /nfs/dbraw/zinc/72/93/29/564729329.db2.gz PPNNXKJHCQGYJS-UHFFFAOYSA-N 1 0 388.917 2.622 20 0 GFADRO Cc1nccc(NC(=O)NCC[N@@H+](C)Cc2ccc(F)cc2)c1Br ZINC000527089139 564729987 /nfs/dbraw/zinc/72/99/87/564729987.db2.gz SWULIZHPSMNCBP-UHFFFAOYSA-N 1 0 395.276 2.967 20 0 GFADRO CCOC(=O)c1cc(Cl)cc(S(=O)(=O)NC[C@H](C)C[NH+]2CCCC2)c1 ZINC000489117919 564730376 /nfs/dbraw/zinc/73/03/76/564730376.db2.gz LXMCYQBNCUYLMW-ZDUSSCGKSA-N 1 0 388.917 2.527 20 0 GFADRO CC[N@@H+]1CCC[C@H](CNS(=O)(=O)c2cccc(OC(F)(F)F)c2F)C1 ZINC000489233612 564733109 /nfs/dbraw/zinc/73/31/09/564733109.db2.gz RRUYRKNDVLKZFR-LLVKDONJSA-N 1 0 384.395 2.735 20 0 GFADRO CCOCC[N@H+](CC)[C@@H](C)C(=O)Nc1cccc(I)c1 ZINC000489252305 564733551 /nfs/dbraw/zinc/73/35/51/564733551.db2.gz GFXYINJXLYNHRI-LBPRGKRZSA-N 1 0 390.265 2.977 20 0 GFADRO CC(C)[C@@H]1CN(C(=O)c2cc(Br)c3c(c2)OCCO3)CC[N@@H+]1C ZINC000489317161 564735434 /nfs/dbraw/zinc/73/54/34/564735434.db2.gz GPDLGWACYOBNSQ-AWEZNQCLSA-N 1 0 383.286 2.633 20 0 GFADRO CC[N@H+](CCOc1ccc(Br)cc1)[C@@H](C)C(=O)NC[C@H]1CCCO1 ZINC000489328195 564735774 /nfs/dbraw/zinc/73/57/74/564735774.db2.gz KZBOTFVORJYHNS-WMLDXEAASA-N 1 0 399.329 2.834 20 0 GFADRO C[C@@H](NC(=O)[C@H](C)Sc1cc(Cl)ccc1Cl)C(=O)NCC[NH+](C)C ZINC000577520609 564735899 /nfs/dbraw/zinc/73/58/99/564735899.db2.gz BKKAMCLEDNKOHK-MNOVXSKESA-N 1 0 392.352 2.657 20 0 GFADRO CCOc1cc(C[NH2+]C2CN(C(C)=O)C2)cc(Br)c1OC(F)F ZINC000577529761 564735993 /nfs/dbraw/zinc/73/59/93/564735993.db2.gz YRJPIJXDCMGSBX-UHFFFAOYSA-N 1 0 393.228 2.770 20 0 GFADRO C[NH+](C)[C@H]1CCCN(C(=O)NCc2nc3c(cccc3Br)[nH]2)C1 ZINC000459217548 564736109 /nfs/dbraw/zinc/73/61/09/564736109.db2.gz QAAPXWNYHCFMLM-NSHDSACASA-N 1 0 380.290 2.561 20 0 GFADRO O=S(=O)(NCC[NH+]1CCCCCC1)c1c(F)cccc1OC(F)(F)F ZINC000553774738 564736371 /nfs/dbraw/zinc/73/63/71/564736371.db2.gz ZOTOUIZMNQKZRL-UHFFFAOYSA-N 1 0 384.395 2.879 20 0 GFADRO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)NC[C@@H](C)[NH+]1CCCC1 ZINC000527293643 564737380 /nfs/dbraw/zinc/73/73/80/564737380.db2.gz BTGMNBFRNFOSFO-KGLIPLIRSA-N 1 0 390.933 2.516 20 0 GFADRO O=C(NC[C@@H]1C[NH2+]CCCO1)C1(c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000577600818 564737431 /nfs/dbraw/zinc/73/74/31/564737431.db2.gz MOXNRUOMXMLLAH-LBPRGKRZSA-N 1 0 376.806 2.885 20 0 GFADRO COCCC[N@H+](C)CCNC(=O)NC1(Cc2ccccc2Br)CC1 ZINC000489383401 564737949 /nfs/dbraw/zinc/73/79/49/564737949.db2.gz AGSKEEFXRSKHDC-UHFFFAOYSA-N 1 0 398.345 2.792 20 0 GFADRO NC(=O)C[C@H]([NH2+]Cc1cc(Cl)ccc1Br)C1CCOCC1 ZINC000553836273 564738652 /nfs/dbraw/zinc/73/86/52/564738652.db2.gz LFAUFHYRYBFXGZ-AWEZNQCLSA-N 1 0 375.694 2.863 20 0 GFADRO C[C@@H]1C[C@H](C[NH2+]CCS(=O)(=O)c2cccc(Br)c2)[C@H](C)O1 ZINC000578064702 564739875 /nfs/dbraw/zinc/73/98/75/564739875.db2.gz QANNWFJMSKONSY-FRRDWIJNSA-N 1 0 376.316 2.626 20 0 GFADRO CCS(=O)(=O)N1CCC(C[NH2+][C@H](C)c2ccc(Br)cn2)CC1 ZINC000578063727 564740241 /nfs/dbraw/zinc/74/02/41/564740241.db2.gz DENHHTIHLAONAQ-GFCCVEGCSA-N 1 0 390.347 2.556 20 0 GFADRO CCO[C@@H]1C[C@H]([NH2+]C[C@H](O)COc2ccc(C(F)(F)F)cc2)[C@@H]1SC ZINC000459399496 564742192 /nfs/dbraw/zinc/74/21/92/564742192.db2.gz VACINPDCHRKIPL-HNKHHVNMSA-N 1 0 379.444 2.944 20 0 GFADRO CN(C)CC[N@H+](C)CCCNC(=O)c1cc(Br)cc2cccnc21 ZINC000578171954 564742560 /nfs/dbraw/zinc/74/25/60/564742560.db2.gz NTFPOHBCWUOMJA-UHFFFAOYSA-N 1 0 393.329 2.611 20 0 GFADRO CC[C@@H](Cc1ccccc1Br)[N@H+](C)CCN1C(=O)N[C@@H](C)C1=O ZINC000459411582 564743997 /nfs/dbraw/zinc/74/39/97/564743997.db2.gz QFKWZEUNWYQUJN-JSGCOSHPSA-N 1 0 382.302 2.642 20 0 GFADRO Cn1cncc1CC[N@H+](CCn1ccnc1)Cc1ccc(Br)o1 ZINC000459475726 564746164 /nfs/dbraw/zinc/74/61/64/564746164.db2.gz ZGCHHBCJQDVHDF-UHFFFAOYSA-N 1 0 378.274 2.717 20 0 GFADRO C[C@@H](Cc1ccc(Br)c(F)c1)[NH2+]C[C@@H]1CCCS(=O)(=O)C1 ZINC000554088513 564750285 /nfs/dbraw/zinc/75/02/85/564750285.db2.gz LTSSSVAVAPQAHJ-AAEUAGOBSA-N 1 0 378.307 2.934 20 0 GFADRO O=C(c1cc([C@H]2CC[NH2+]C2)n[nH]1)N1CCc2ccc(F)c(Br)c2C1 ZINC000527617348 564750336 /nfs/dbraw/zinc/75/03/36/564750336.db2.gz HBPHGZUPLNPYNW-NSHDSACASA-N 1 0 393.260 2.587 20 0 GFADRO CNC(=O)c1cccc(NC(=O)NCC[C@H]2CCC[N@H+](C)C2)c1Br ZINC000459567740 564751213 /nfs/dbraw/zinc/75/12/13/564751213.db2.gz AHJNNZNUDMALHR-GFCCVEGCSA-N 1 0 397.317 2.662 20 0 GFADRO OC[C@H](C[NH2+]C1CCN(C2CC2)CC1)Cc1cc(Br)ccc1F ZINC000459568849 564751570 /nfs/dbraw/zinc/75/15/70/564751570.db2.gz KFRLQMGGTDSWNX-ZDUSSCGKSA-N 1 0 385.321 2.956 20 0 GFADRO CCCS(=O)(=O)N1CCC([NH2+]Cc2ccsc2Br)CC1 ZINC000527639590 564753403 /nfs/dbraw/zinc/75/34/03/564753403.db2.gz GXEPIWLNMYRWCL-UHFFFAOYSA-N 1 0 381.361 2.804 20 0 GFADRO O=C(C1CCC1)N1CCN(CC[NH2+]Cc2ccsc2Br)CC1 ZINC000527660676 564754305 /nfs/dbraw/zinc/75/43/05/564754305.db2.gz MUFVLFFKJFVUGR-UHFFFAOYSA-N 1 0 386.359 2.545 20 0 GFADRO CO[C@H](C[NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1)CC(C)C ZINC000580305814 564755080 /nfs/dbraw/zinc/75/50/80/564755080.db2.gz VYTALUAWPPPVGS-ZBFHGGJFSA-N 1 0 378.282 2.979 20 0 GFADRO C[C@H](CNS(=O)(=O)Cc1cc(Cl)ccc1Br)C[NH+](C)C ZINC000580307996 564755320 /nfs/dbraw/zinc/75/53/20/564755320.db2.gz MRCBMPUDYVKRJJ-SNVBAGLBSA-N 1 0 383.739 2.720 20 0 GFADRO O[C@@H]1C[C@@H](CNCc2ncc(Br)cc2F)[N@H+](Cc2ccccc2)C1 ZINC000527682460 564755391 /nfs/dbraw/zinc/75/53/91/564755391.db2.gz DQHNCTNPYRFBFB-JKSUJKDBSA-N 1 0 394.288 2.708 20 0 GFADRO Cc1cc(Br)c(C[NH2+]CC2(N3CCOCC3)CCOCC2)s1 ZINC000459661775 564755740 /nfs/dbraw/zinc/75/57/40/564755740.db2.gz RSOWJKXFVXOYPE-UHFFFAOYSA-N 1 0 389.359 2.790 20 0 GFADRO CC[C@H]1Cc2c(Br)cccc2C[N@@H+]1CCC(=O)N(C)CC(=O)OC ZINC000580399839 564756542 /nfs/dbraw/zinc/75/65/42/564756542.db2.gz GFKPODSYISNHGO-AWEZNQCLSA-N 1 0 397.313 2.607 20 0 GFADRO CC(=O)NCC[C@H]1CCC[N@H+](C[C@@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000554291993 564756763 /nfs/dbraw/zinc/75/67/63/564756763.db2.gz LRFXDNZYFZMEGU-GDBMZVCRSA-N 1 0 389.323 2.971 20 0 GFADRO COc1ccncc1CNC(=O)C[C@@H]1Sc2ccc(Cl)cc2NC1=O ZINC000554369033 564758924 /nfs/dbraw/zinc/75/89/24/564758924.db2.gz WOYOBFZZEBUCQE-HNNXBMFYSA-N 1 0 377.853 2.863 20 0 GFADRO Cc1sc2ccc(Cl)cc2c1S(=O)(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000490027419 564760151 /nfs/dbraw/zinc/76/01/51/564760151.db2.gz DHAUHHDJWLKTFC-CQSZACIVSA-N 1 0 399.969 2.531 20 0 GFADRO C[N@@H+]1CC[C@@]2(CCN(C(=O)NCc3cc(Br)cc4c3OCC4)C2)C1 ZINC000490043396 564761171 /nfs/dbraw/zinc/76/11/71/564761171.db2.gz KNGQSYSCGQMKDO-GOSISDBHSA-N 1 0 394.313 2.621 20 0 GFADRO CCO[C@@]1(C)C[C@H]1[NH2+]Cc1cc(I)c(OC)c(OC)c1 ZINC000527783819 564761832 /nfs/dbraw/zinc/76/18/32/564761832.db2.gz WGHYAQDWEJRWHI-HIFRSBDPSA-N 1 0 391.249 2.966 20 0 GFADRO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000459849110 564762731 /nfs/dbraw/zinc/76/27/31/564762731.db2.gz GAVZVEKOLWRFIC-CQSZACIVSA-N 1 0 386.323 2.752 20 0 GFADRO CN(CCC[NH+]1CCCC1)C(=O)C(=O)N(C)Cc1ccc(Cl)c(Cl)c1 ZINC000459858195 564763555 /nfs/dbraw/zinc/76/35/55/564763555.db2.gz WRDDGUQQSMPIRO-UHFFFAOYSA-N 1 0 386.323 2.896 20 0 GFADRO CC(C)[C@@H](C(=O)N1CCN(Cc2ccc(Br)cc2)CC1)[C@@H](C)[NH3+] ZINC000580556346 564764134 /nfs/dbraw/zinc/76/41/34/564764134.db2.gz MMETWBSSQVTDBK-RHSMWYFYSA-N 1 0 382.346 2.713 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)N[C@H]1COc2cc(F)c(Br)cc21 ZINC000554532291 564764513 /nfs/dbraw/zinc/76/45/13/564764513.db2.gz XZEHLMKKERHXFJ-OTYXRUKQSA-N 1 0 384.249 2.558 20 0 GFADRO C[C@H]([NH2+]C[C@@]1(CO)COCC2(CCC2)N1C)c1cccc(Br)c1 ZINC000527943917 564765093 /nfs/dbraw/zinc/76/50/93/564765093.db2.gz CAHNKMKBRMXTBD-KBXCAEBGSA-N 1 0 383.330 2.716 20 0 GFADRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2cc(Br)c(OC)c(OC)c2)C1 ZINC000580563088 564765092 /nfs/dbraw/zinc/76/50/92/564765092.db2.gz XZPQTBMTAZPDLZ-GFCCVEGCSA-N 1 0 385.302 2.880 20 0 GFADRO O=S(=O)(NC[C@@H]1CCCN(Cc2nc3ccc(F)cc3s2)C1)C1CC1 ZINC000580638334 564767413 /nfs/dbraw/zinc/76/74/13/564767413.db2.gz SAVZCKQQJUFOOY-LBPRGKRZSA-N 1 0 383.514 2.729 20 0 GFADRO O=C(N[C@@H]1C[C@H]1c1ccccc1Br)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000580632392 564767803 /nfs/dbraw/zinc/76/78/03/564767803.db2.gz JYFZOXDOVHFXJF-XJNFMUPTSA-N 1 0 378.314 2.992 20 0 GFADRO O=S(=O)(N[C@@H]1CC[NH2+]C12CCC2)c1c(Cl)cccc1Br ZINC000528052416 564767985 /nfs/dbraw/zinc/76/79/85/564767985.db2.gz RKMMYGGFQOWLMP-LLVKDONJSA-N 1 0 379.707 2.665 20 0 GFADRO CC(C)[N@@H+]1CCC[C@H](NC(=O)Cc2ccc(I)cc2)C1 ZINC000490358328 564769134 /nfs/dbraw/zinc/76/91/34/564769134.db2.gz BCRSFAYMOMTTHH-HNNXBMFYSA-N 1 0 386.277 2.823 20 0 GFADRO CC1=CC[N@H+](CCNC(=O)N[C@@H](CCO)c2ccccc2Br)CC1 ZINC000460228089 564772435 /nfs/dbraw/zinc/77/24/35/564772435.db2.gz IJVYLFYELRSTPY-KRWDZBQOSA-N 1 0 396.329 2.824 20 0 GFADRO COCC[N@H+](C)CCCNC(=O)Nc1cc(-c2ccc(Cl)s2)nn1C ZINC000490504108 564773887 /nfs/dbraw/zinc/77/38/87/564773887.db2.gz YYCQPNNRKXERQR-UHFFFAOYSA-N 1 0 385.921 2.892 20 0 GFADRO CC[NH+]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC(C)C)CC1 ZINC000460593712 564776686 /nfs/dbraw/zinc/77/66/86/564776686.db2.gz ULZBDUIEYMXVCS-UHFFFAOYSA-N 1 0 381.322 2.834 20 0 GFADRO OC[C@@H](Cc1ccccc1)[NH2+]Cc1cn(-c2ccccc2Br)nn1 ZINC000554976139 564780210 /nfs/dbraw/zinc/78/02/10/564780210.db2.gz QGLRRQUISWAIDH-OAHLLOKOSA-N 1 0 387.281 2.723 20 0 GFADRO Fc1c(Br)ccc(CN2CC[C@@H](C[NH+]3CCOCC3)C2)c1F ZINC000528390245 564781812 /nfs/dbraw/zinc/78/18/12/564781812.db2.gz OHVBLPRLFHPRKQ-LBPRGKRZSA-N 1 0 375.257 2.881 20 0 GFADRO O=C1C[C@H]([C@@H]2CCCC[N@H+]2Cc2cn3ccc(Br)cc3n2)CN1 ZINC000555092490 564782631 /nfs/dbraw/zinc/78/26/31/564782631.db2.gz QWNQXJBGWFRWBV-WFASDCNBSA-N 1 0 377.286 2.587 20 0 GFADRO CCn1nc(C)c(C[NH2+]C[C@@H](O)COc2ccc(Br)cc2)c1C ZINC000581006980 564784240 /nfs/dbraw/zinc/78/42/40/564784240.db2.gz ZFSDOZXSCOJNSR-OAHLLOKOSA-N 1 0 382.302 2.812 20 0 GFADRO CSC1(CNC(=O)NCCc2nc3c(s2)CCCC3)CC[NH+](C)CC1 ZINC000555154366 564784810 /nfs/dbraw/zinc/78/48/10/564784810.db2.gz SENPABZFVXBQAK-UHFFFAOYSA-N 1 0 382.599 2.691 20 0 GFADRO CC(C)([NH3+])C(=O)Nc1ccc(-c2sc(CC(N)=O)cc2Br)cc1 ZINC000491083586 564786825 /nfs/dbraw/zinc/78/68/25/564786825.db2.gz YANBDRFXSQCQJW-UHFFFAOYSA-N 1 0 396.310 2.881 20 0 GFADRO C[C@H](OC[C@H](O)C[NH2+][C@@H]1CCC[C@@H](S(C)(=O)=O)C1)c1ccc(Cl)cc1 ZINC000581127675 564788504 /nfs/dbraw/zinc/78/85/04/564788504.db2.gz ZMKIAXTUCOABRB-OKDNKWQNSA-N 1 0 389.945 2.724 20 0 GFADRO O[C@H](C[N@@H+]1CCC[C@H]([C@H](O)c2ccc(Br)cc2)C1)CC1(O)CCC1 ZINC000528501279 564789286 /nfs/dbraw/zinc/78/92/86/564789286.db2.gz BSROEXVFFZCHGQ-RYQLBKOJSA-N 1 0 398.341 2.861 20 0 GFADRO CCCN(CC[NH+](CC)CC)C(=O)CCn1cc(Br)ccc1=O ZINC000461195220 564791743 /nfs/dbraw/zinc/79/17/43/564791743.db2.gz QSOLELRPFQBTNP-UHFFFAOYSA-N 1 0 386.334 2.581 20 0 GFADRO O=S(=O)(NC[C@@H]1CC[N@@H+]1C1CCCC1)c1cc(F)ccc1OC(F)F ZINC000528546370 564792891 /nfs/dbraw/zinc/79/28/91/564792891.db2.gz DEWSUZPZCBJKMC-ZDUSSCGKSA-N 1 0 378.416 2.722 20 0 GFADRO COC(=O)CCC[C@H]1CCC[C@@H]([NH2+]CCNS(=O)(=O)c2cccs2)C1 ZINC000555564863 564797518 /nfs/dbraw/zinc/79/75/18/564797518.db2.gz VLCIJMKUWLNXQP-HUUCEWRRSA-N 1 0 388.555 2.518 20 0 GFADRO O=C(NCCCn1cc(Br)cn1)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000492295113 564800925 /nfs/dbraw/zinc/80/09/25/564800925.db2.gz PDHOQZRCZTYWOQ-INIZCTEOSA-N 1 0 383.334 2.949 20 0 GFADRO CSC[C@@H](C)NC(=O)C(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000555666982 564801428 /nfs/dbraw/zinc/80/14/28/564801428.db2.gz DRQJCZKPUQCVNB-HUUCEWRRSA-N 1 0 383.583 2.505 20 0 GFADRO CC[N@H+](CCNC(=O)Nc1ccnc(C)c1Br)CCC(F)(F)F ZINC000581422381 564801439 /nfs/dbraw/zinc/80/14/39/564801439.db2.gz CCUUURJPISNPMI-UHFFFAOYSA-N 1 0 397.239 2.970 20 0 GFADRO C[NH+]1CCC(C)(CNC(=O)C2(c3cccc(Br)c3)CC(=O)C2)CC1 ZINC000581460609 564803187 /nfs/dbraw/zinc/80/31/87/564803187.db2.gz XJTJVRUOGDDGSC-UHFFFAOYSA-N 1 0 393.325 2.898 20 0 GFADRO O=S1(=O)CCC[C@H](C[NH2+]Cc2cc(Cl)ccc2OC[C@@H]2CCCO2)C1 ZINC000581511347 564805172 /nfs/dbraw/zinc/80/51/72/564805172.db2.gz IQQZRZCEQBBZQT-PBHICJAKSA-N 1 0 387.929 2.812 20 0 GFADRO COC(=O)c1cc(Br)cc(C(=O)NCC2([NH+](C)C)CCCC2)c1 ZINC000461898741 564807443 /nfs/dbraw/zinc/80/74/43/564807443.db2.gz NPWBDVPBHVJAQB-UHFFFAOYSA-N 1 0 383.286 2.840 20 0 GFADRO O[C@@H](C[NH2+]CCOc1ccc(Br)cc1)COCc1ccccc1 ZINC000581602785 564809921 /nfs/dbraw/zinc/80/99/21/564809921.db2.gz QJWXHAJPDMYIFL-KRWDZBQOSA-N 1 0 380.282 2.995 20 0 GFADRO COc1cc(Br)c(C[NH2+][C@H](CO)Cc2ccc(F)cc2)cc1O ZINC000493739246 564811073 /nfs/dbraw/zinc/81/10/73/564811073.db2.gz WXFZZOZIYUDOQB-AWEZNQCLSA-N 1 0 384.245 2.996 20 0 GFADRO C[C@@H]1CC[C@@H]([NH2+]CC(=O)Nc2ccc(Br)cc2)[C@@H](n2cncn2)C1 ZINC000556061928 564811323 /nfs/dbraw/zinc/81/13/23/564811323.db2.gz FTMYJQNHSPLRAG-WQVCFCJDSA-N 1 0 392.301 2.999 20 0 GFADRO COCCN1CCC([NH2+]C[C@@H]2CCN(c3cccc(Br)c3)C2)CC1 ZINC000462031878 564812405 /nfs/dbraw/zinc/81/24/05/564812405.db2.gz MDNDWUQWTHRZMP-INIZCTEOSA-N 1 0 396.373 2.976 20 0 GFADRO Cc1cc(Br)cc2c1[C@H]([NH2+]CCCN1CCC[C@@H]1C(N)=O)CC2 ZINC000493962518 564815218 /nfs/dbraw/zinc/81/52/18/564815218.db2.gz UYQQGQLSKTYCMJ-HZPDHXFCSA-N 1 0 380.330 2.674 20 0 GFADRO CC[NH+](CC)C[C@H](C)NS(=O)(=O)CCc1ccccc1Br ZINC000462069126 564815216 /nfs/dbraw/zinc/81/52/16/564815216.db2.gz XSCUGRTYBGLXGQ-ZDUSSCGKSA-N 1 0 377.348 2.641 20 0 GFADRO CC[N@@H+]1CCCC[C@H]1CNC(=O)c1cc(Br)cc(C(=O)OC)c1 ZINC000462075075 564815978 /nfs/dbraw/zinc/81/59/78/564815978.db2.gz QJEIXNZHFWVTIY-HNNXBMFYSA-N 1 0 383.286 2.840 20 0 GFADRO C[C@H]1C[N@H+](CCCNS(=O)(=O)c2ccc(C(F)(F)F)s2)CCCO1 ZINC000462078524 564816531 /nfs/dbraw/zinc/81/65/31/564816531.db2.gz YTODVXJFQQDGEH-NSHDSACASA-N 1 0 386.461 2.546 20 0 GFADRO C[C@H]([NH2+][C@]1(C)CCO[C@H]1C)C(=O)Nc1cccc(I)c1 ZINC000494236580 564820130 /nfs/dbraw/zinc/82/01/30/564820130.db2.gz FBSBSAQKXCBPOT-ZIBATOQPSA-N 1 0 388.249 2.775 20 0 GFADRO Cc1cccc(CC(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)c1Br ZINC000529122497 564820846 /nfs/dbraw/zinc/82/08/46/564820846.db2.gz NHXJTMGLJCBFQX-CQSZACIVSA-N 1 0 383.330 2.604 20 0 GFADRO O=C(NCC[NH+]1CCCC1)[C@H](c1ccc(Cl)cc1Cl)N1CCOCC1 ZINC000462126911 564822270 /nfs/dbraw/zinc/82/22/70/564822270.db2.gz POYAORPFPHRWKV-KRWDZBQOSA-N 1 0 386.323 2.579 20 0 GFADRO CNC(=O)c1cccc(NC(=O)NCC[N@H+]2CC=C(C)CC2)c1Br ZINC000494335040 564825082 /nfs/dbraw/zinc/82/50/82/564825082.db2.gz SNNULILUJUCYSY-UHFFFAOYSA-N 1 0 395.301 2.582 20 0 GFADRO Cc1c(S(=O)(=O)NC[C@@H](C)[N@H+](C)C2CC2)cnn1-c1ccc(Cl)cc1 ZINC000462163110 564825615 /nfs/dbraw/zinc/82/56/15/564825615.db2.gz TYCNWOJHWMODPL-GFCCVEGCSA-N 1 0 382.917 2.595 20 0 GFADRO Cc1nc(C(F)(F)F)sc1C(=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000462175484 564825834 /nfs/dbraw/zinc/82/58/34/564825834.db2.gz KETLITALAICEEZ-JTQLQIEISA-N 1 0 379.448 2.635 20 0 GFADRO C[C@H]1C[C@@H]1[N@@H+]1CCN(C(=O)c2nc(C3CC3)ncc2Br)C[C@@H](C)C1 ZINC000494387276 564827610 /nfs/dbraw/zinc/82/76/10/564827610.db2.gz RLPGBJHTDOGXNK-HUBLWGQQSA-N 1 0 393.329 2.919 20 0 GFADRO C[N@@H+]1CC[C@](O)(CNC(=O)Nc2cccc3cccc(Br)c32)C1 ZINC000529276383 564827591 /nfs/dbraw/zinc/82/75/91/564827591.db2.gz YJINPLKHEJRHGR-KRWDZBQOSA-N 1 0 378.270 2.790 20 0 GFADRO COC(=O)[C@@H]1CN(C(=O)[C@@H]([NH3+])CC(C)C)C[C@H]1c1ccc(Br)cc1 ZINC000582061342 564829434 /nfs/dbraw/zinc/82/94/34/564829434.db2.gz LYHRQKWRPZCLDY-XHSDSOJGSA-N 1 0 397.313 2.538 20 0 GFADRO O=C(N[C@@H]1CC[NH2+]C12CCC2)N[C@H]1CCOc2c(Br)cccc21 ZINC000529330195 564830479 /nfs/dbraw/zinc/83/04/79/564830479.db2.gz MFXJFHLJIXLENA-UONOGXRCSA-N 1 0 380.286 2.857 20 0 GFADRO CN(C(=O)N[C@@H]1CC[NH2+]C12CCC2)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000529352805 564830635 /nfs/dbraw/zinc/83/06/35/564830635.db2.gz UNEBPHISQMLTSQ-OAGGEKHMSA-N 1 0 384.307 2.878 20 0 GFADRO CC[C@@H]([NH2+]CC(=O)Nc1ccc(I)cc1)c1cnn(C)c1 ZINC000556611317 564832184 /nfs/dbraw/zinc/83/21/84/564832184.db2.gz ZIRROVRYEOROLO-CQSZACIVSA-N 1 0 398.248 2.704 20 0 GFADRO CC[C@@H]1CN(C(=O)NCc2ccc(Br)c(F)c2F)CC[C@@H]1[NH3+] ZINC000529369049 564832322 /nfs/dbraw/zinc/83/23/22/564832322.db2.gz GEBPVCYNHMSJNB-SKDRFNHKSA-N 1 0 376.245 2.996 20 0 GFADRO Cc1nc(CNC(=O)N2CCc3ccccc3[C@@H]2C[NH3+])sc1Br ZINC000582179433 564834361 /nfs/dbraw/zinc/83/43/61/564834361.db2.gz FNIOWORFXMPFLH-ZDUSSCGKSA-N 1 0 395.326 2.982 20 0 GFADRO C[C@@H]1C[N@H+](C)CCN1c1ccc(Br)cc1NC(=O)Cc1ccon1 ZINC000556675865 564834855 /nfs/dbraw/zinc/83/48/55/564834855.db2.gz MPLFFUKHAUCKPW-GFCCVEGCSA-N 1 0 393.285 2.759 20 0 GFADRO NC(=O)[C@@H](Cc1ccccc1)[NH2+]Cc1cc(Br)cc2c1OCC2 ZINC000462358562 564835312 /nfs/dbraw/zinc/83/53/12/564835312.db2.gz KQZKIKOYRRESBR-MRXNPFEDSA-N 1 0 375.266 2.570 20 0 GFADRO CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)NCCSc1ccc(Cl)cc1 ZINC000582195029 564835427 /nfs/dbraw/zinc/83/54/27/564835427.db2.gz LARSVXWMPBACHW-HNNXBMFYSA-N 1 0 383.945 2.539 20 0 GFADRO O=S1(=O)CCCN1CCN1CCCC[C@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC000582227074 564836091 /nfs/dbraw/zinc/83/60/91/564836091.db2.gz KSXUDBOUZAYWBR-INIZCTEOSA-N 1 0 382.917 2.779 20 0 GFADRO Cc1ccsc1[C@@H](CO)[NH2+]CC(=O)NCCc1nc2ccccc2s1 ZINC000494626054 564836169 /nfs/dbraw/zinc/83/61/69/564836169.db2.gz NQJAREPKLIFERY-CQSZACIVSA-N 1 0 375.519 2.648 20 0 GFADRO O=C(NCC[NH+]1CCC(O)CC1)c1c(Br)ccc2ccccc21 ZINC000529464141 564836941 /nfs/dbraw/zinc/83/69/41/564836941.db2.gz MYCBQCHIMUUNDK-UHFFFAOYSA-N 1 0 377.282 2.789 20 0 GFADRO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)[C@H]1C[C@@]1(C)Br ZINC000529488281 564837812 /nfs/dbraw/zinc/83/78/12/564837812.db2.gz LUQUSOZATQBOKM-YWTNHNAXSA-N 1 0 395.341 2.813 20 0 GFADRO OC[C@H]([NH2+]C[C@H](O)COc1cccc(Br)c1)c1ccc(F)cc1 ZINC000582320686 564840785 /nfs/dbraw/zinc/84/07/85/564840785.db2.gz LXEZZPZVTUJWKA-RDJZCZTQSA-N 1 0 384.245 2.651 20 0 GFADRO O=C(Nc1cccc(Br)c1)C1CCN(C(=O)[C@H]2CCC[NH2+]C2)CC1 ZINC000494853522 564841562 /nfs/dbraw/zinc/84/15/62/564841562.db2.gz NFXNMZOHAMCNJE-AWEZNQCLSA-N 1 0 394.313 2.626 20 0 GFADRO O=C(CC[NH+]1CCC2(CC1)CCS(=O)(=O)CC2)Nc1ccc(Cl)cc1 ZINC000582337260 564841786 /nfs/dbraw/zinc/84/17/86/564841786.db2.gz NRCPRDRXQYDMSQ-UHFFFAOYSA-N 1 0 384.929 2.959 20 0 GFADRO COc1ccc(C[NH2+][C@@H]2CCC[C@@H](S(C)(=O)=O)C2)c(Br)c1 ZINC000556837286 564842701 /nfs/dbraw/zinc/84/27/01/564842701.db2.gz BTYXEOHGDOXBOZ-TZMCWYRMSA-N 1 0 376.316 2.903 20 0 GFADRO COc1ccc(Br)cc1C(=O)CCC(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000494887357 564842860 /nfs/dbraw/zinc/84/28/60/564842860.db2.gz CTEQOSUNZONQIQ-DOMZBBRYSA-N 1 0 395.297 2.631 20 0 GFADRO O=C([C@@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000494882544 564842970 /nfs/dbraw/zinc/84/29/70/564842970.db2.gz ZTKMYIASQFXBMZ-HWWQOWPSSA-N 1 0 382.291 2.557 20 0 GFADRO O=C(CCCc1cc(Cl)sc1Cl)NC[C@]1(O)C[NH+]2CCC1CC2 ZINC000556850028 564843568 /nfs/dbraw/zinc/84/35/68/564843568.db2.gz GKLRYILSAJNERV-INIZCTEOSA-N 1 0 377.337 2.951 20 0 GFADRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1cc(Br)cnc1OCC1CC1 ZINC000556898482 564845735 /nfs/dbraw/zinc/84/57/35/564845735.db2.gz GGDLDRSBFVQXEE-MEDUHNTESA-N 1 0 394.313 2.845 20 0 GFADRO C[C@H](O)C[N@H+](C)C1CCN(C(=O)[C@@H](C)c2cccc(Br)c2)CC1 ZINC000462557096 564848197 /nfs/dbraw/zinc/84/81/97/564848197.db2.gz XOJXFFGALUOVSQ-KBPBESRZSA-N 1 0 383.330 2.856 20 0 GFADRO O=C([C@@H]1CCC[N@@H+]1C1CC1)N1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000495105160 564848744 /nfs/dbraw/zinc/84/87/44/564848744.db2.gz RZHVPNNVOFGEJS-IRXDYDNUSA-N 1 0 379.298 2.976 20 0 GFADRO O=C(NC[C@@H]1CC[N@@H+]1C1CCCCC1)c1cnn2cc(Br)cnc12 ZINC000529717945 564848723 /nfs/dbraw/zinc/84/87/23/564848723.db2.gz HVNVLYFIQCJNCR-AWEZNQCLSA-N 1 0 392.301 2.629 20 0 GFADRO O=C(NC[C@@H]1CC[N@@H+]1C1CCCCC1)c1ccc(I)cn1 ZINC000529714707 564848840 /nfs/dbraw/zinc/84/88/40/564848840.db2.gz NEHJZJGNFLOMIS-AWEZNQCLSA-N 1 0 399.276 2.823 20 0 GFADRO Cc1nc(C(=O)N2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)c(Br)s1 ZINC000582532539 564850829 /nfs/dbraw/zinc/85/08/29/564850829.db2.gz OPICTPGMGKYIQD-SDDRHHMPSA-N 1 0 388.331 2.538 20 0 GFADRO C[N@H+](Cc1nnc(-c2ccccc2Br)o1)C1(CCO)CCOCC1 ZINC000495450120 564854847 /nfs/dbraw/zinc/85/48/47/564854847.db2.gz KWAFBDBKYUXAJO-UHFFFAOYSA-N 1 0 396.285 2.863 20 0 GFADRO Cc1ccc(NC(=O)C[N@@H+](C)C2(CCO)CCOCC2)c(Br)c1 ZINC000495445621 564854970 /nfs/dbraw/zinc/85/49/70/564854970.db2.gz XWUVKWVTOUBODT-UHFFFAOYSA-N 1 0 385.302 2.559 20 0 GFADRO CS[C@@H]1CN(C(=O)Cc2cc(F)ccc2Br)C[C@@H]1[NH+](C)C ZINC000495730717 564856596 /nfs/dbraw/zinc/85/65/96/564856596.db2.gz WIILLBMUOOAUSN-UONOGXRCSA-N 1 0 375.307 2.635 20 0 GFADRO CS[C@H]1CN(C(=O)c2ccnc(SCC(F)(F)F)c2)C[C@@H]1[NH+](C)C ZINC000495713797 564857272 /nfs/dbraw/zinc/85/72/72/564857272.db2.gz SDJFZNBSTZOYAO-RYUDHWBXSA-N 1 0 379.473 2.854 20 0 GFADRO Ic1ccc2ncnc(NCC[NH+]3CCCCC3)c2c1 ZINC000462791380 564858970 /nfs/dbraw/zinc/85/89/70/564858970.db2.gz OQRAVCSEXYMOPX-UHFFFAOYSA-N 1 0 382.249 3.132 20 0 GFADRO C[NH+](C)C[C@@H](NC(=O)c1ccoc1CC(N)=O)c1ccc(Cl)c(Cl)c1 ZINC000530034388 564860225 /nfs/dbraw/zinc/86/02/25/564860225.db2.gz VVOOHAAUOZDYPA-CQSZACIVSA-N 1 0 384.263 2.647 20 0 GFADRO CN(C)S(=O)(=O)[C@@H]1CCCN(c2nccc3cc(Br)ccc32)C1 ZINC000582772286 564860626 /nfs/dbraw/zinc/86/06/26/564860626.db2.gz DATTUOOPDYTQEW-CQSZACIVSA-N 1 0 398.326 2.858 20 0 GFADRO O=C(C[C@H]1Sc2ccc(Cl)cc2NC1=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000462877216 564861184 /nfs/dbraw/zinc/86/11/84/564861184.db2.gz GZGWCWWZOPEGDZ-WOSRLPQWSA-N 1 0 379.913 2.647 20 0 GFADRO C[NH+](C)C[C@H](NC(=O)[C@H]1CCc2nncn2C1)c1ccc(Cl)c(Cl)c1 ZINC000530035062 564861196 /nfs/dbraw/zinc/86/11/96/564861196.db2.gz YIRBQPAJSZFYEA-WFASDCNBSA-N 1 0 382.295 2.566 20 0 GFADRO CN(CCC[NH+]1CCCC1)C(=O)NCCOc1ccc(Br)cc1 ZINC000497139452 564863536 /nfs/dbraw/zinc/86/35/36/564863536.db2.gz ABYWBDFVMKMBRY-UHFFFAOYSA-N 1 0 384.318 2.955 20 0 GFADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)NCCOc3cccc(Br)c3)[C@H]2C1 ZINC000497397751 564866548 /nfs/dbraw/zinc/86/65/48/564866548.db2.gz UBQQSQVZPSBKOD-CJNGLKHVSA-N 1 0 382.302 2.564 20 0 GFADRO O[C@@H](C[NH2+]Cc1cnn(CC(F)(F)F)c1)COCc1ccc(Cl)cc1 ZINC000582900226 564867197 /nfs/dbraw/zinc/86/71/97/564867197.db2.gz IDUBJPHZMQOZEN-HNNXBMFYSA-N 1 0 377.794 2.766 20 0 GFADRO Brc1ccc2nc(C[N@@H+]3CCC[C@H]3CN3CCOCC3)oc2c1 ZINC000463097141 564869991 /nfs/dbraw/zinc/86/99/91/564869991.db2.gz WQCSGQFKLSWPNP-AWEZNQCLSA-N 1 0 380.286 2.887 20 0 GFADRO CS[C@@H]1CN(c2ncc(Br)c(OC(C)(C)C)n2)C[C@@H]1[NH+](C)C ZINC000557643449 564870617 /nfs/dbraw/zinc/87/06/17/564870617.db2.gz YCLCXXPMIHFCSB-NWDGAFQWSA-N 1 0 389.363 2.898 20 0 GFADRO O=C(NC[C@H]1CC[N@@H+]1C1CCCC1)c1nc(C2CC2)ncc1Br ZINC000530192614 564871267 /nfs/dbraw/zinc/87/12/67/564871267.db2.gz GIYBHNGWJXGRCE-CYBMUJFWSA-N 1 0 379.302 2.863 20 0 GFADRO C[C@H]1COCCN1C1CCN(S(=O)(=O)c2csc3ccccc32)CC1 ZINC000583034208 564872360 /nfs/dbraw/zinc/87/23/60/564872360.db2.gz GFNFGMPXUCWLQZ-AWEZNQCLSA-N 1 0 380.535 2.775 20 0 GFADRO O=C(CSCC1CC[NH2+]CC1)NCCOc1ccc(C(F)(F)F)cc1 ZINC000583023028 564872593 /nfs/dbraw/zinc/87/25/93/564872593.db2.gz PHTDLNMYQNKZIV-UHFFFAOYSA-N 1 0 376.444 2.933 20 0 GFADRO Fc1cc(CN[C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)c(F)cc1Br ZINC000530219934 564873240 /nfs/dbraw/zinc/87/32/40/564873240.db2.gz LLINAJXURNZGET-IUIKQTSFSA-N 1 0 375.257 2.974 20 0 GFADRO Cc1csc(N2CCC([NH2+]Cc3ccc(C)c(S(C)(=O)=O)c3)CC2)n1 ZINC000463251311 564873709 /nfs/dbraw/zinc/87/37/09/564873709.db2.gz DJLZTSAGWHXDKL-UHFFFAOYSA-N 1 0 379.551 2.922 20 0 GFADRO COCCOc1ccc(NC(=O)N2C[C@H](SC)[C@@H]([NH+](C)C)C2)cc1Cl ZINC000497679401 564874120 /nfs/dbraw/zinc/87/41/20/564874120.db2.gz PSSKSZALSZETJU-HOCLYGCPSA-N 1 0 387.933 2.875 20 0 GFADRO C[NH+](C)[C@H]1CCCN(C(=O)NCc2cc(Br)cc3c2OCC3)C1 ZINC000463256177 564874653 /nfs/dbraw/zinc/87/46/53/564874653.db2.gz JWYVMUNXVDUJGW-HNNXBMFYSA-N 1 0 382.302 2.620 20 0 GFADRO Cc1nn(C)c(C[NH2+]C[C@]2(CO)C[C@H]2c2ccc(F)cc2)c1Br ZINC000583123665 564876583 /nfs/dbraw/zinc/87/65/83/564876583.db2.gz SBCANDCXBUCZNC-YOEHRIQHSA-N 1 0 382.277 2.886 20 0 GFADRO NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1Cc1nc(-c2cccc(Br)c2)c[nH]1 ZINC000530341946 564876929 /nfs/dbraw/zinc/87/69/29/564876929.db2.gz KNBQOWUIIJSFNO-JDFRZJQESA-N 1 0 389.297 2.925 20 0 GFADRO CC[N@H+](C[C@H](C)OC)[C@@H](C)C(=O)Nc1cccc(I)c1 ZINC000463425828 564880211 /nfs/dbraw/zinc/88/02/11/564880211.db2.gz VQZXGMQWACRUQU-RYUDHWBXSA-N 1 0 390.265 2.975 20 0 GFADRO CCN1C[C@@H](C)N(S(=O)(=O)Cc2ccccc2Br)C[C@@H]1C ZINC000557841483 564880343 /nfs/dbraw/zinc/88/03/43/564880343.db2.gz DKCCMKCDVWTWRM-QWHCGFSZSA-N 1 0 375.332 2.693 20 0 GFADRO C[N@@H+]1CCC[C@H]2CN(S(=O)(=O)Cc3cccc(Br)c3)CC[C@@H]21 ZINC000557845756 564881516 /nfs/dbraw/zinc/88/15/16/564881516.db2.gz WANIMCKVJHXOES-HOCLYGCPSA-N 1 0 387.343 2.695 20 0 GFADRO Cc1cc(N2CCC[C@H]([NH+]3CCC(CO)CC3)C2=O)ccc1Br ZINC000463485425 564882906 /nfs/dbraw/zinc/88/29/06/564882906.db2.gz TZWYIGAVJNAHRP-KRWDZBQOSA-N 1 0 381.314 2.957 20 0 GFADRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1S(=O)(=O)c1ccc(F)c(Br)c1 ZINC000557854654 564882958 /nfs/dbraw/zinc/88/29/58/564882958.db2.gz YANYKKPSRAKMRP-NHYWBVRUSA-N 1 0 391.306 2.836 20 0 GFADRO O[C@@H](C[NH2+]C[C@@H]1CCCC[C@H]1O)COc1ccc(Cl)cc1Br ZINC000583263348 564883350 /nfs/dbraw/zinc/88/33/50/564883350.db2.gz FSXXUFTVSKRZBH-CORIIIEPSA-N 1 0 392.721 2.983 20 0 GFADRO Cc1sc2nc(CS[C@H](C)C(=O)N[C@@H](C)C[NH+](C)C)[nH]c(=O)c2c1C ZINC000558032577 564889008 /nfs/dbraw/zinc/88/90/08/564889008.db2.gz UMNXPKBEMVJOQX-JOYOIKCWSA-N 1 0 382.555 2.702 20 0 GFADRO C[C@@H]1CN(C(=O)c2c(Cl)cccc2I)C[C@@H]1[NH+](C)C ZINC000463774450 564889909 /nfs/dbraw/zinc/88/99/09/564889909.db2.gz IDZVSCFGXXYXIY-SKDRFNHKSA-N 1 0 392.668 2.967 20 0 GFADRO C[C@]1([NH3+])CCCC[C@H]1C(=O)NC[C@H](O)COc1cccc(Cl)c1Cl ZINC000498191246 564890921 /nfs/dbraw/zinc/89/09/21/564890921.db2.gz HACMAFMVUUGSIZ-PRXAMGSTSA-N 1 0 375.296 2.757 20 0 GFADRO C[C@H](CNC(=O)N[C@H]1CC[N@@H+](C2CC2)C1)Oc1ccccc1Br ZINC000530659892 564890953 /nfs/dbraw/zinc/89/09/53/564890953.db2.gz PUEXJSLSXHPAOB-OLZOCXBDSA-N 1 0 382.302 2.752 20 0 GFADRO CC(C)Sc1ccc(Cl)cc1NC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000583452380 564891749 /nfs/dbraw/zinc/89/17/49/564891749.db2.gz GNHOQUMMOBOIMA-QWHCGFSZSA-N 1 0 382.917 2.616 20 0 GFADRO C[NH+](C)C1CCN(C(=O)C(=O)Nc2cc(Cl)ccc2C(F)(F)F)CC1 ZINC000498212845 564892117 /nfs/dbraw/zinc/89/21/17/564892117.db2.gz ALSZIWBCOHJVQW-UHFFFAOYSA-N 1 0 377.794 2.850 20 0 GFADRO C[C@@H]1CC[C@@H]([N@H+](CCO)C[C@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000583468956 564893256 /nfs/dbraw/zinc/89/32/56/564893256.db2.gz RFLJNXNJJGMCBU-WQVCFCJDSA-N 1 0 390.293 2.811 20 0 GFADRO C[NH+](C)CCSCC(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000530794829 564895238 /nfs/dbraw/zinc/89/52/38/564895238.db2.gz UENWFMDTHTUGOZ-UHFFFAOYSA-N 1 0 375.460 2.649 20 0 GFADRO COC[C@H]([NH2+]CCNS(=O)(=O)c1ccc(Cl)cc1C)c1ccccc1 ZINC000558259899 564896964 /nfs/dbraw/zinc/89/69/64/564896964.db2.gz SWCKXBNMLGGUDH-KRWDZBQOSA-N 1 0 382.913 2.904 20 0 GFADRO O=S1(=O)C[C@@H](C[NH2+]Cc2cc(Cl)c3c(c2)OCCO3)c2ccccc21 ZINC000583605237 564899791 /nfs/dbraw/zinc/89/97/91/564899791.db2.gz HKRRQIGWMFYGTN-CYBMUJFWSA-N 1 0 379.865 2.772 20 0 GFADRO CC[NH+](CC)CCS(=O)(=O)N[C@@H](CCO)c1ccc(Cl)c(Cl)c1 ZINC000558483429 564903258 /nfs/dbraw/zinc/90/32/58/564903258.db2.gz QFVHKXDCIMDKPD-HNNXBMFYSA-N 1 0 383.341 2.678 20 0 GFADRO C[C@@H](CNC(=O)C(=O)Nc1cc(Cl)ccc1C(F)(F)F)[NH+]1CCCC1 ZINC000558541987 564905339 /nfs/dbraw/zinc/90/53/39/564905339.db2.gz MDUPLONPZJZNIH-JTQLQIEISA-N 1 0 377.794 2.898 20 0 GFADRO Cc1csc(-c2cccc(S(=O)(=O)NC[C@H]3CC[N@@H+](C4CC4)C3)c2)n1 ZINC000558565028 564906412 /nfs/dbraw/zinc/90/64/12/564906412.db2.gz QYHDQARTGRDOGN-CQSZACIVSA-N 1 0 377.535 2.881 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)Cn1cc(Br)cn1)c1ccc(Cl)cc1 ZINC000531306479 564906766 /nfs/dbraw/zinc/90/67/66/564906766.db2.gz MSWGJUPZOUMCNO-AWEZNQCLSA-N 1 0 385.693 2.718 20 0 GFADRO CCCOc1c(Br)cc(C[NH2+][C@H]2CCCN(C)C2=O)cc1OC ZINC000531360137 564908416 /nfs/dbraw/zinc/90/84/16/564908416.db2.gz SFVSFKUNFAAMRS-AWEZNQCLSA-N 1 0 385.302 2.957 20 0 GFADRO C[NH+](C)[C@@H]1CCCN(C(=O)c2cccc(F)c2I)CC1 ZINC000558694512 564911679 /nfs/dbraw/zinc/91/16/79/564911679.db2.gz RQYCCHLHLAXGRW-LLVKDONJSA-N 1 0 390.240 2.987 20 0 GFADRO COCC(=O)N1CCC([NH2+][C@H]2CCc3c2cc(Br)cc3F)CC1 ZINC000531717533 564918409 /nfs/dbraw/zinc/91/84/09/564918409.db2.gz WHEDHWSGVGDJRS-INIZCTEOSA-N 1 0 385.277 2.803 20 0 GFADRO C[NH+]1CCC(CCO)(NC(=O)c2cc3c(cc(Br)cc3F)[nH]2)CC1 ZINC000499129346 564919655 /nfs/dbraw/zinc/91/96/55/564919655.db2.gz ZCCQOYQMSGXXKH-UHFFFAOYSA-N 1 0 398.276 2.646 20 0 GFADRO CC[NH+](CC)[C@H]1CCN(C(=O)[C@H](C)NC(=O)c2ccc(Br)cc2)C1 ZINC000464970951 564921243 /nfs/dbraw/zinc/92/12/43/564921243.db2.gz HJZGJPYRSUUUGR-BBRMVZONSA-N 1 0 396.329 2.510 20 0 GFADRO CC(C)[NH+]1CCN([C@H]2CCN(C(=O)c3cc(Br)cs3)C2)CC1 ZINC000531832165 564922063 /nfs/dbraw/zinc/92/20/63/564922063.db2.gz QPJRXOYICSFDFJ-AWEZNQCLSA-N 1 0 386.359 2.751 20 0 GFADRO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)N2CCN(Cc3ccc(Cl)s3)CC2)C1 ZINC000465008080 564922226 /nfs/dbraw/zinc/92/22/26/564922226.db2.gz KBTPHTJIUZPJIR-GDBMZVCRSA-N 1 0 384.977 2.957 20 0 GFADRO [NH3+]C[C@H]1CCCN(C(=O)NCCc2c[nH]c3ccc(Br)cc23)C1 ZINC000584221438 564925936 /nfs/dbraw/zinc/92/59/36/564925936.db2.gz GLWFWDLWKCULGO-GFCCVEGCSA-N 1 0 379.302 2.853 20 0 GFADRO [NH3+]Cc1ccc(C(=O)N2CCN(Cc3ccc(Br)cc3)CC2)cc1 ZINC000584234577 564926586 /nfs/dbraw/zinc/92/65/86/564926586.db2.gz JRZLUQOSDLGJBF-UHFFFAOYSA-N 1 0 388.309 2.866 20 0 GFADRO C[C@@H](CNC(=O)C(=O)Nc1ccc(Cl)c(Br)c1)[NH+]1CCCC1 ZINC000532040364 564926744 /nfs/dbraw/zinc/92/67/44/564926744.db2.gz ZFYSLSKKWVCMBC-JTQLQIEISA-N 1 0 388.693 2.642 20 0 GFADRO COc1ccc(Br)cc1C1(C(=O)NCC[N@@H+]2CC[C@@H](C)C2)CC1 ZINC000584280477 564928993 /nfs/dbraw/zinc/92/89/93/564928993.db2.gz JLEZNFWPHUKMGI-CYBMUJFWSA-N 1 0 381.314 2.947 20 0 GFADRO C[C@@H](CNC(=O)NC[C@H](C)[N@H+](C)C1CC1)Oc1ccc(Br)cc1 ZINC000465905733 564933559 /nfs/dbraw/zinc/93/35/59/564933559.db2.gz ZGMBVIXLENSWHI-STQMWFEESA-N 1 0 384.318 2.998 20 0 GFADRO CCN(Cc1ccc(Cl)s1)C(=O)C(=O)NC1CC[NH+](CC(C)C)CC1 ZINC000559553999 564935489 /nfs/dbraw/zinc/93/54/89/564935489.db2.gz ANFHOFOWZAYULR-UHFFFAOYSA-N 1 0 385.961 2.987 20 0 GFADRO COc1ccc(Br)cc1CNC(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000466279930 564936849 /nfs/dbraw/zinc/93/68/49/564936849.db2.gz VGHLWMJOZGUBIZ-XHDPSFHLSA-N 1 0 382.302 2.740 20 0 GFADRO C[C@H](CNC(=O)N(C)CC[NH+]1CCCC1)Oc1ccc(Br)cc1 ZINC000466379914 564939102 /nfs/dbraw/zinc/93/91/02/564939102.db2.gz HWWCRFIXTWHWFS-CQSZACIVSA-N 1 0 384.318 2.954 20 0 GFADRO CC(C)[NH+]1CCN(C(=O)NC[C@@H](C)Oc2ccc(Br)cc2)CC1 ZINC000466379506 564939294 /nfs/dbraw/zinc/93/92/94/564939294.db2.gz YOQOFAGFJHMYPA-CQSZACIVSA-N 1 0 384.318 2.952 20 0 GFADRO C[C@H]([NH2+]Cc1cnn(-c2ccc(Br)cc2)c1)C(=O)N1CCCC1 ZINC000466390179 564939620 /nfs/dbraw/zinc/93/96/20/564939620.db2.gz GNLQWYHQKPPZNC-ZDUSSCGKSA-N 1 0 377.286 2.735 20 0 GFADRO CN(C)c1cc(Br)cc(C(=O)N2CCC(OCC[NH+](C)C)CC2)c1 ZINC000559774713 564939688 /nfs/dbraw/zinc/93/96/88/564939688.db2.gz XNQLWYWRYHBOEG-UHFFFAOYSA-N 1 0 398.345 2.698 20 0 GFADRO CC[NH+](CC)[C@@H](CNC(=O)C(=O)N1CCC[C@@H]1CSC)c1ccsc1 ZINC000559741658 564939892 /nfs/dbraw/zinc/93/98/92/564939892.db2.gz NVIRTHCOUHXFHP-CVEARBPZSA-N 1 0 383.583 2.601 20 0 GFADRO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)NCc1c(Cl)cccc1Cl ZINC000559799129 564940768 /nfs/dbraw/zinc/94/07/68/564940768.db2.gz XRKFDILURLNJSP-OAHLLOKOSA-N 1 0 386.323 2.846 20 0 GFADRO C[C@H](CNC(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C)Oc1ccccc1Br ZINC000466547938 564943453 /nfs/dbraw/zinc/94/34/53/564943453.db2.gz JQNBLVYKPRTJLW-XJKCOSOUSA-N 1 0 396.329 2.998 20 0 GFADRO O=C(Nc1ccc(Cl)c(Cl)c1)C1CC[NH+](CCN2CCOCC2)CC1 ZINC000532735374 564943581 /nfs/dbraw/zinc/94/35/81/564943581.db2.gz FQLFYMVUFLGDJZ-UHFFFAOYSA-N 1 0 386.323 2.976 20 0 GFADRO CC[N@@H+]1C[C@H](C)N(C(=O)c2ccc(Br)cc2-n2cncn2)C[C@@H]1C ZINC000500122171 564946203 /nfs/dbraw/zinc/94/62/03/564946203.db2.gz NZIRFEAIXZZGBI-STQMWFEESA-N 1 0 392.301 2.585 20 0 GFADRO Cc1cc(NC(=O)NC[C@@H](c2ccsc2)[NH+](C)C)ccc1S(C)(=O)=O ZINC000500229287 564949094 /nfs/dbraw/zinc/94/90/94/564949094.db2.gz FCRVRUFMKFGOEC-HNNXBMFYSA-N 1 0 381.523 2.884 20 0 GFADRO OC[C@@H](Cc1ccc(F)cc1)[NH2+]Cc1cnc2ccc(Br)cn12 ZINC000500247929 564949194 /nfs/dbraw/zinc/94/91/94/564949194.db2.gz CHZYEUOMGTWLKJ-OAHLLOKOSA-N 1 0 378.245 2.929 20 0 GFADRO CC1CC[NH+](CCCNS(=O)(=O)c2cc(Br)ccc2F)CC1 ZINC000500298938 564949857 /nfs/dbraw/zinc/94/98/57/564949857.db2.gz RXQOEIIXASIXTR-UHFFFAOYSA-N 1 0 393.322 2.989 20 0 GFADRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N1CCc2ccc(Br)cc2C1 ZINC000560105195 564950042 /nfs/dbraw/zinc/95/00/42/564950042.db2.gz KXQKXKOUVNHUFA-PXAZEXFGSA-N 1 0 378.314 3.000 20 0 GFADRO C[N@H+](CCC(=O)Nc1cc(Cl)ccc1Cl)C[C@H]1CCS(=O)(=O)C1 ZINC000532972766 564950892 /nfs/dbraw/zinc/95/08/92/564950892.db2.gz REGSVDRWZNEQMN-LLVKDONJSA-N 1 0 379.309 2.689 20 0 GFADRO CC[C@H](O)[C@H]1CCCC[N@@H+]1Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000532969373 564951038 /nfs/dbraw/zinc/95/10/38/564951038.db2.gz CKIJLGYBIJIXQX-CABCVRRESA-N 1 0 380.286 2.582 20 0 GFADRO CC(C)[NH2+]C1CCN(CCS(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000533052519 564952963 /nfs/dbraw/zinc/95/29/63/564952963.db2.gz FUZNLIHKXBVSQN-UHFFFAOYSA-N 1 0 389.359 2.685 20 0 GFADRO COC(=O)c1ccc(C[N@@H+]2CCC[C@@H]2CN2CCOCC2)c(Br)c1 ZINC000560256705 564955471 /nfs/dbraw/zinc/95/54/71/564955471.db2.gz HGMWHNCOXCNHST-MRXNPFEDSA-N 1 0 397.313 2.532 20 0 GFADRO CS(=O)(=O)NC[C@@H]1CCC[C@@H]1[NH2+]Cc1c(F)ccc(Br)c1F ZINC000500532902 564956072 /nfs/dbraw/zinc/95/60/72/564956072.db2.gz MDLQZUUNUSYWDR-ZANVPECISA-N 1 0 397.285 2.535 20 0 GFADRO CC[C@@H](Cc1ccccc1Br)C(=O)N[C@H]1CC[N@H+](CCOC)C1 ZINC000467101406 564956200 /nfs/dbraw/zinc/95/62/00/564956200.db2.gz MXUCGKYDNNJQCD-HOCLYGCPSA-N 1 0 383.330 2.855 20 0 GFADRO C[C@H](CNC(=O)C(=O)Nc1cc(Cl)cc(Br)c1)[NH+]1CCCC1 ZINC000560359584 564958512 /nfs/dbraw/zinc/95/85/12/564958512.db2.gz OITSRBRDZPJZAG-SNVBAGLBSA-N 1 0 388.693 2.642 20 0 GFADRO COc1ccc2c(c1)[C@@H]([NH2+]CCNS(=O)(=O)c1ccccc1)CCS2 ZINC000467407285 564962260 /nfs/dbraw/zinc/96/22/60/564962260.db2.gz SONDOCOOBGYQQX-KRWDZBQOSA-N 1 0 378.519 2.800 20 0 GFADRO CC(C)[N@H+](CCN1CCCS1(=O)=O)Cc1ccc(Br)cc1 ZINC000533462958 564962996 /nfs/dbraw/zinc/96/29/96/564962996.db2.gz XLGIPFVBBIFLEE-UHFFFAOYSA-N 1 0 375.332 2.695 20 0 GFADRO CC(C)CO[C@@H]1CC[N@H+](Cc2cc(=O)n3cc(Br)ccc3n2)C1 ZINC000533478836 564964050 /nfs/dbraw/zinc/96/40/50/564964050.db2.gz PTFAJMORQQFYTG-OAHLLOKOSA-N 1 0 380.286 2.704 20 0 GFADRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)c2cccnc2-n2cc(Br)cn2)C1 ZINC000560479086 564964691 /nfs/dbraw/zinc/96/46/91/564964691.db2.gz BFCCOBPMSFZJCO-CQSZACIVSA-N 1 0 392.301 2.585 20 0 GFADRO O=C(NCC[NH+]1CCCCC1)c1cccc(F)c1I ZINC000533544273 564965673 /nfs/dbraw/zinc/96/56/73/564965673.db2.gz XSRPPDVJHYRBNH-UHFFFAOYSA-N 1 0 376.213 2.646 20 0 GFADRO C[NH+](C)C[C@](C)(O)CNCc1cnc(-c2ccc(Br)cc2)s1 ZINC000533563540 564965729 /nfs/dbraw/zinc/96/57/29/564965729.db2.gz PTKZVMACHOVIGL-MRXNPFEDSA-N 1 0 384.343 2.975 20 0 GFADRO O=C(NC[C@@]1(O)C[NH+]2CCC1CC2)c1csc(-c2ccccc2Cl)n1 ZINC000560506037 564965842 /nfs/dbraw/zinc/96/58/42/564965842.db2.gz YUIZUWCPUBWTJF-GOSISDBHSA-N 1 0 377.897 2.650 20 0 GFADRO C[NH+](C)[C@]1(CNC(=O)Cc2ccc(Br)c(F)c2)CCSC1 ZINC000501107473 564970666 /nfs/dbraw/zinc/97/06/66/564970666.db2.gz CMVCBHLNMQAMCZ-HNNXBMFYSA-N 1 0 375.307 2.684 20 0 GFADRO COCC[N@@H+]1CC[C@H](NC(=O)c2cc(Br)cc(C(F)(F)F)c2)C1 ZINC000533707957 564971026 /nfs/dbraw/zinc/97/10/26/564971026.db2.gz YDIODWVMFOIPJG-ZDUSSCGKSA-N 1 0 395.219 2.918 20 0 GFADRO CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N[C@H](C)c1ccc(Br)cc1 ZINC000560671246 564971504 /nfs/dbraw/zinc/97/15/04/564971504.db2.gz NARSECRYTJNURF-CJNGLKHVSA-N 1 0 396.329 2.617 20 0 GFADRO C[C@H]([C@H](C)[NH2+]Cc1cn(-c2ccc(Cl)cc2Cl)nn1)N1CCOCC1 ZINC000533753014 564971692 /nfs/dbraw/zinc/97/16/92/564971692.db2.gz RICKOBKCNUSICE-QWHCGFSZSA-N 1 0 384.311 2.773 20 0 GFADRO Cc1ccc(S(=O)(=O)N2CCC(C[NH+](C)C)CC2)cc1Br ZINC000501181161 564972912 /nfs/dbraw/zinc/97/29/12/564972912.db2.gz XJUHAMONBUCUFG-UHFFFAOYSA-N 1 0 375.332 2.720 20 0 GFADRO C[N@H+](CC1CC1)C[C@@H]1CCN(S(=O)(=O)c2sccc2Br)C1 ZINC000467797224 564973350 /nfs/dbraw/zinc/97/33/50/564973350.db2.gz IARIUSYZZRQUMI-LBPRGKRZSA-N 1 0 393.372 2.863 20 0 GFADRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1ccc(I)cc1 ZINC000560759827 564974872 /nfs/dbraw/zinc/97/48/72/564974872.db2.gz GJHFTDXPJANJCN-IUODEOHRSA-N 1 0 384.261 2.990 20 0 GFADRO C[N@H+](CC(=O)N[C@@H](c1cncc(Br)c1)C1CC1)[C@H]1CCSC1 ZINC000501305428 564976595 /nfs/dbraw/zinc/97/65/95/564976595.db2.gz HEQQBBSQYWNOJI-GOEBONIOSA-N 1 0 384.343 2.849 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N[C@@H](C)Cc1ccc(Cl)cc1Cl ZINC000560875948 564978379 /nfs/dbraw/zinc/97/83/79/564978379.db2.gz MEIHSBKQJGHTKL-WFASDCNBSA-N 1 0 386.323 2.641 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@@H](C)Cc1ccc(Cl)cc1Cl ZINC000560875944 564978632 /nfs/dbraw/zinc/97/86/32/564978632.db2.gz MEIHSBKQJGHTKL-SWLSCSKDSA-N 1 0 386.323 2.641 20 0 GFADRO CNC(=O)[C@H]1CCC[C@H]1[NH2+]Cc1nc(-c2cccc(Br)c2)c[nH]1 ZINC000534286433 564984435 /nfs/dbraw/zinc/98/44/35/564984435.db2.gz DGQWLBRLQMRHGC-UONOGXRCSA-N 1 0 377.286 2.844 20 0 GFADRO CC[C@H](NC(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C)[C@H](O)C(F)(F)F ZINC000534292560 564984689 /nfs/dbraw/zinc/98/46/89/564984689.db2.gz YNWSRZXXFRCAMV-IHRRRGAJSA-N 1 0 381.826 2.944 20 0 GFADRO [NH3+]C[C@@H]1CCCN(C(=O)NCCNc2ncc(C(F)(F)F)cc2Cl)C1 ZINC000561145295 564985580 /nfs/dbraw/zinc/98/55/80/564985580.db2.gz LUVXNTPZOCRYLR-JTQLQIEISA-N 1 0 379.814 2.546 20 0 GFADRO C[C@H](CCc1ccc(Br)cc1)NC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC000502034250 564990328 /nfs/dbraw/zinc/99/03/28/564990328.db2.gz SHPIWCCZYXYBFN-HUUCEWRRSA-N 1 0 383.330 2.855 20 0 GFADRO Cc1cc(I)cc(NC(=O)[C@H](C)C[NH+]2CCOCC2)c1 ZINC000561329367 564991464 /nfs/dbraw/zinc/99/14/64/564991464.db2.gz YCAFHORXCDDSBM-GFCCVEGCSA-N 1 0 388.249 2.506 20 0 GFADRO C[C@H](NC(=O)C(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1)c1cccc(Cl)c1Cl ZINC000502300303 564995534 /nfs/dbraw/zinc/99/55/34/564995534.db2.gz YMYJZGXEFAOFOL-WOPDTQHZSA-N 1 0 384.307 2.912 20 0 GFADRO O=S(=O)(NCCC[NH2+][C@H]1CCCC12CCOCC2)c1ccccc1Cl ZINC000502348120 564996615 /nfs/dbraw/zinc/99/66/15/564996615.db2.gz YHXKSZQCUIETOA-KRWDZBQOSA-N 1 0 386.945 2.947 20 0 GFADRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)C3(c4ccc(Br)cc4)CC3)[C@H]2C1 ZINC000502547163 565001203 /nfs/dbraw/zinc/00/12/03/565001203.db2.gz TVBAXSKFIJQUDS-DLBZAZTESA-N 1 0 393.325 2.802 20 0 GFADRO COc1cccc(CC[NH2+][C@H](C(N)=O)c2cccc(Br)c2)c1OC ZINC000534996647 565001502 /nfs/dbraw/zinc/00/15/02/565001502.db2.gz BANKILMEHRZWCI-INIZCTEOSA-N 1 0 393.281 2.825 20 0 GFADRO C[C@@H](c1ccccc1Cl)N1CCN(C(=O)C[N@H+](C)[C@@H]2CCSC2)CC1 ZINC000535004633 565002238 /nfs/dbraw/zinc/00/22/38/565002238.db2.gz NZXYVNCTYOPMPK-JKSUJKDBSA-N 1 0 381.973 2.983 20 0 GFADRO CC[NH+](CC)[C@H](C)CNS(=O)(=O)c1cc(Cl)ccc1O[C@@H](C)COC ZINC000469006236 565002529 /nfs/dbraw/zinc/00/25/29/565002529.db2.gz PTMPUZIAXCEIND-KGLIPLIRSA-N 1 0 392.949 2.762 20 0 GFADRO C[C@H](CNC(=O)N(C)CCn1cc(Br)cn1)[N@@H+]1CCCC[C@H]1C ZINC000561704063 565006572 /nfs/dbraw/zinc/00/65/72/565006572.db2.gz JCJPSQCOKKGXGN-ZIAGYGMSSA-N 1 0 386.338 2.550 20 0 GFADRO C[C@H]1C[C@@H]1[N@@H+]1CCN(C(=O)c2cc3c(c(Br)c2)OCO3)C[C@@H](C)C1 ZINC000561760453 565007948 /nfs/dbraw/zinc/00/79/48/565007948.db2.gz GVCHTCQTPMOGMP-HUBLWGQQSA-N 1 0 395.297 2.980 20 0 GFADRO C[NH+](C)[C@H]1CCCN(C(=O)C(=O)NCCCc2ccc(Cl)cc2Cl)C1 ZINC000561757553 565007977 /nfs/dbraw/zinc/00/79/77/565007977.db2.gz KQFNXMNDUSUMJP-HNNXBMFYSA-N 1 0 386.323 2.595 20 0 GFADRO C[NH+](C)[C@]1(CNC(=O)N2CC[C@H](Oc3cccc(Cl)c3)C2)CCSC1 ZINC000535361918 565011319 /nfs/dbraw/zinc/01/13/19/565011319.db2.gz KULAAIYZQFENDT-WMZOPIPTSA-N 1 0 383.945 2.940 20 0 GFADRO C[C@H]1C[C@H](NC(=O)C(=O)N(C)Cc2ccc(Cl)c(Cl)c2)C[N@@H+]1C1CC1 ZINC000561886384 565011979 /nfs/dbraw/zinc/01/19/79/565011979.db2.gz SWEBFDQOAVTPFA-AAEUAGOBSA-N 1 0 384.307 2.693 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+]C[C@H](c2ccco2)N2CCCC2)cc1Cl ZINC000561891603 565012239 /nfs/dbraw/zinc/01/22/39/565012239.db2.gz IORITQXTDXAZKY-OAHLLOKOSA-N 1 0 383.901 2.507 20 0 GFADRO COC(=O)[C@]1(C)C[N@H+](C[C@@H](O)COc2c(Cl)cccc2Cl)C[C@H]1C ZINC000503197589 565014090 /nfs/dbraw/zinc/01/40/90/565014090.db2.gz SKHRZRGBBJGAIV-PSTGCABASA-N 1 0 376.280 2.864 20 0 GFADRO C[C@@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccc(S(C)(=O)=O)s1 ZINC000469340610 565014216 /nfs/dbraw/zinc/01/42/16/565014216.db2.gz YKFYPQXLFLRJPC-RHSMWYFYSA-N 1 0 379.551 2.547 20 0 GFADRO COc1ccc(Br)c(CNC(=O)NCCC2CC[NH+](C)CC2)c1 ZINC000503318852 565017649 /nfs/dbraw/zinc/01/76/49/565017649.db2.gz RSURIBXALREIFG-UHFFFAOYSA-N 1 0 384.318 2.989 20 0 GFADRO CC[N@H+](CCOCCO)[C@H]1CCCN(c2ccc(Br)c(C)c2)C1=O ZINC000503409751 565018347 /nfs/dbraw/zinc/01/83/47/565018347.db2.gz KVAOFSYREDASBA-KRWDZBQOSA-N 1 0 399.329 2.584 20 0 GFADRO C[NH+](C)[C@@]1(CNC(=O)c2cc(Br)c(F)cc2F)CCSC1 ZINC000469539828 565020383 /nfs/dbraw/zinc/02/03/83/565020383.db2.gz LCQQIIGIPZNZER-CQSZACIVSA-N 1 0 379.270 2.894 20 0 GFADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]CCc1ccc2c(c1)OCO2 ZINC000562374974 565026678 /nfs/dbraw/zinc/02/66/78/565026678.db2.gz HGJUOIWVJLSJAZ-GFCCVEGCSA-N 1 0 379.254 2.560 20 0 GFADRO Cc1ccc(S(=O)(=O)N2CC[C@@H](OCC[NH+]3CCCCC3)C2)cc1Cl ZINC000469797353 565026822 /nfs/dbraw/zinc/02/68/22/565026822.db2.gz AVCKWSBGVQQVBC-MRXNPFEDSA-N 1 0 386.945 2.914 20 0 GFADRO Cc1ccc(Br)c(C)c1C(=O)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000562398840 565027569 /nfs/dbraw/zinc/02/75/69/565027569.db2.gz CAIBXKFQDYJMKM-UHFFFAOYSA-N 1 0 394.357 2.920 20 0 GFADRO CS[C@@H]1CN(C(=O)CS[C@H](C)c2nc3ccccc3[nH]2)C[C@H]1[NH+](C)C ZINC000536335556 565035253 /nfs/dbraw/zinc/03/52/53/565035253.db2.gz HBSLZGZJSXAMTI-DAXOMENPSA-N 1 0 378.567 2.861 20 0 GFADRO COc1cc(Cl)c(CN2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)cc1Cl ZINC000470013785 565035716 /nfs/dbraw/zinc/03/57/16/565035716.db2.gz QNHAQUYPILVRCJ-ZDUSSCGKSA-N 1 0 386.323 2.646 20 0 GFADRO COCC[C@H](Cc1cccc(Br)c1)C(=O)N1C[C@H](C[NH3+])C[C@@H]1C ZINC000504184657 565036582 /nfs/dbraw/zinc/03/65/82/565036582.db2.gz AEVLZHOBRLBSNA-CWRNSKLLSA-N 1 0 383.330 2.840 20 0 GFADRO C[C@@H](CO)[N@@H+]1CCCN(C(=O)CCC(=O)c2cc(Cl)sc2Cl)CC1 ZINC000470047274 565036642 /nfs/dbraw/zinc/03/66/42/565036642.db2.gz SBDJSAUTQFSZRZ-NSHDSACASA-N 1 0 393.336 2.933 20 0 GFADRO CC[N@H+](CCO)CCNC(=O)NCC(C)(C)c1ccc(Cl)c(Cl)c1 ZINC000470054779 565036687 /nfs/dbraw/zinc/03/66/87/565036687.db2.gz GXCFIIZODORNOV-UHFFFAOYSA-N 1 0 376.328 2.884 20 0 GFADRO C[C@@H](Oc1cccc(Br)c1)C(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000470067114 565037183 /nfs/dbraw/zinc/03/71/83/565037183.db2.gz QPUJAXRTAYNNCE-LSDHHAIUSA-N 1 0 399.329 2.834 20 0 GFADRO C[C@H](Oc1cccc(Br)c1)C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000470067111 565037408 /nfs/dbraw/zinc/03/74/08/565037408.db2.gz QPUJAXRTAYNNCE-CABCVRRESA-N 1 0 399.329 2.834 20 0 GFADRO C[C@@H](CO)[N@@H+]1CCCN(C(=O)COc2cc(Cl)c(Cl)cc2Cl)CC1 ZINC000470086492 565038014 /nfs/dbraw/zinc/03/80/14/565038014.db2.gz IODZEPSOIRXHNP-NSHDSACASA-N 1 0 395.714 2.941 20 0 GFADRO C[C@H]1C[N@H+](CCCNC(=O)c2[nH]nc3ccc(Br)cc32)CCCO1 ZINC000470087028 565038119 /nfs/dbraw/zinc/03/81/19/565038119.db2.gz OYEXAXAUDVDWOI-LBPRGKRZSA-N 1 0 395.301 2.556 20 0 GFADRO C[N@@H+]1CCC[C@H](CCNC(=O)C[C@@H]2Sc3ccc(Cl)cc3NC2=O)C1 ZINC000562660846 565038430 /nfs/dbraw/zinc/03/84/30/565038430.db2.gz RBVRWXBDKBISNY-WBMJQRKESA-N 1 0 381.929 2.991 20 0 GFADRO Cc1cc(F)c(NC(=O)N2CC[C@H]([NH+](C)C)C2)c(I)c1 ZINC000536561696 565041129 /nfs/dbraw/zinc/04/11/29/565041129.db2.gz JYTSISDDYQTRLX-JTQLQIEISA-N 1 0 391.228 2.907 20 0 GFADRO O=C(NCCn1cc(Br)ccc1=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000562744693 565041317 /nfs/dbraw/zinc/04/13/17/565041317.db2.gz YCXVVBDQGPUSNG-INIZCTEOSA-N 1 0 396.329 2.524 20 0 GFADRO CN1CCC[C@H]([NH2+]Cc2cc(Br)cc(Br)c2N)C1=O ZINC000470243512 565041615 /nfs/dbraw/zinc/04/16/15/565041615.db2.gz MSHLJIMCTJXMBJ-NSHDSACASA-N 1 0 391.107 2.504 20 0 GFADRO O=C(N[C@@H]1C[C@H]1c1ccc(Br)s1)N[C@H]1C[NH2+]CCC1(F)F ZINC000562812154 565043809 /nfs/dbraw/zinc/04/38/09/565043809.db2.gz KLASUJODJYRRMX-MRTMQBJTSA-N 1 0 380.258 2.663 20 0 GFADRO [NH3+]C[C@@H]1CCCN(C(=O)NCCOc2ncc(C(F)(F)F)cc2Cl)C1 ZINC000562803761 565043927 /nfs/dbraw/zinc/04/39/27/565043927.db2.gz IUOBLOHIVHECOU-JTQLQIEISA-N 1 0 380.798 2.513 20 0 GFADRO CC(C)[C@H](Oc1ccccc1Br)C(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000470434188 565046201 /nfs/dbraw/zinc/04/62/01/565046201.db2.gz HQEWUQAGCWVAJE-VBQJREDUSA-N 1 0 381.314 2.873 20 0 GFADRO C[C@@H]([NH2+]C[C@H]1CCCN1S(C)(=O)=O)c1ccc(Br)c(F)c1 ZINC000536833004 565048608 /nfs/dbraw/zinc/04/86/08/565048608.db2.gz LSZQIDVOFIFSGM-ZYHUDNBSSA-N 1 0 379.295 2.663 20 0 GFADRO COCC1(C)CC[NH+](Cc2cc(=O)n3cc(Br)ccc3n2)CC1 ZINC000536886409 565048615 /nfs/dbraw/zinc/04/86/15/565048615.db2.gz PQFFRZNVVKPZBE-UHFFFAOYSA-N 1 0 380.286 2.706 20 0 GFADRO O=C(CSCc1ccc(Br)cc1F)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000562971148 565050004 /nfs/dbraw/zinc/05/00/04/565050004.db2.gz AUOHRGAZSLDAEN-YPMHNXCESA-N 1 0 387.318 2.889 20 0 GFADRO C[C@H](CC[S@@](C)=O)[NH2+][C@@H](C)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000536911994 565050097 /nfs/dbraw/zinc/05/00/97/565050097.db2.gz WQDYPKMXLLLJKT-JRLRZGBRSA-N 1 0 386.583 2.669 20 0 GFADRO O=C(NCc1ccc(I)c(Cl)c1)[C@@H]1CCC[NH2+]C1 ZINC000562976813 565050365 /nfs/dbraw/zinc/05/03/65/565050365.db2.gz ZWVRZDRTTVMKBT-SNVBAGLBSA-N 1 0 378.641 2.560 20 0 GFADRO CC(C)OCC[C@H](O)C[NH2+]CCc1ccc(I)s1 ZINC000562985652 565050702 /nfs/dbraw/zinc/05/07/02/565050702.db2.gz CDRUKZKKILKPJI-NSHDSACASA-N 1 0 383.295 2.661 20 0 GFADRO O=C(CC[NH2+]C[C@H]1CS(=O)(=O)c2ccccc21)Nc1cccc(Cl)c1 ZINC000563001517 565051445 /nfs/dbraw/zinc/05/14/45/565051445.db2.gz WBOSPYIABPYEBZ-ZDUSSCGKSA-N 1 0 378.881 2.829 20 0 GFADRO COCC[N@@H+]1CC[C@@H](NC(=O)NCc2cc(Cl)ccc2Br)C1 ZINC000563036973 565052559 /nfs/dbraw/zinc/05/25/59/565052559.db2.gz SYBDQHHZOMGPPF-CYBMUJFWSA-N 1 0 390.709 2.622 20 0 GFADRO C[C@H](CNC(=O)C1(c2cccc(Br)c2)CC(=O)C1)C[NH+]1CCCC1 ZINC000537213082 565054995 /nfs/dbraw/zinc/05/49/95/565054995.db2.gz NLQFLAJVUYSXBR-CQSZACIVSA-N 1 0 393.325 2.898 20 0 GFADRO CN([C@H](C[NH3+])C1CC1)S(=O)(=O)Cc1ccc(Cl)cc1Br ZINC000563129557 565056903 /nfs/dbraw/zinc/05/69/03/565056903.db2.gz AGDBKQWNDGKOKR-CYBMUJFWSA-N 1 0 381.723 2.601 20 0 GFADRO C[C@H](C[NH+]1CCOCC1)C(=O)NCCOCc1ccc(Cl)cc1Cl ZINC000537393302 565057838 /nfs/dbraw/zinc/05/78/38/565057838.db2.gz CFPHGKLCBASZOU-CYBMUJFWSA-N 1 0 375.296 2.595 20 0 GFADRO CC[NH+](CC)CC[C@@H](CO)NC(=O)CSc1cccc(Br)c1 ZINC000537720699 565062173 /nfs/dbraw/zinc/06/21/73/565062173.db2.gz PIIPAOSJMNZQEP-AWEZNQCLSA-N 1 0 389.359 2.750 20 0 GFADRO Cc1cc(F)c(NC(=O)NC2CC[NH+](C)CC2)c(I)c1 ZINC000537802356 565063101 /nfs/dbraw/zinc/06/31/01/565063101.db2.gz GJSGBQRLTVAPBU-UHFFFAOYSA-N 1 0 391.228 2.954 20 0 GFADRO Cc1nc([C@H](NC(=O)C[N@@H+](C)[C@H]2CCSC2)c2ccc(Cl)cc2)no1 ZINC000537828997 565063580 /nfs/dbraw/zinc/06/35/80/565063580.db2.gz BKGQJMHPDPNUSJ-GOEBONIOSA-N 1 0 380.901 2.674 20 0 GFADRO CC[C@@H](N[C@@H]1CC[N@H+](CC2CC2)C1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000684612148 565076771 /nfs/dbraw/zinc/07/67/71/565076771.db2.gz QNQDTCGYSCJWGG-NVXWUHKLSA-N 1 0 385.961 2.773 20 0 GFADRO C[C@H](O)C[N@@H+]1CCN(C(=O)Cc2c(Cl)cccc2Br)[C@H](C)C1 ZINC000613654361 565077086 /nfs/dbraw/zinc/07/70/86/565077086.db2.gz AWEDQKSGJMYOKO-NEPJUHHUSA-N 1 0 389.721 2.559 20 0 GFADRO [NH3+]C[C@H]1CN(S(=O)(=O)Cc2c(Cl)cccc2Cl)CC12CCOCC2 ZINC000584351263 565077666 /nfs/dbraw/zinc/07/76/66/565077666.db2.gz YJWGIZFXZDANMR-LBPRGKRZSA-N 1 0 393.336 2.511 20 0 GFADRO CSc1nnc(CNC(=O)[C@@H]2CCC[N@H+](CCc3ccccc3)C2)s1 ZINC000613810006 565081997 /nfs/dbraw/zinc/08/19/97/565081997.db2.gz IVCBSVLKZZFPSM-OAHLLOKOSA-N 1 0 376.551 2.831 20 0 GFADRO CC[NH+](CC)CC[C@H](CO)NC(=O)c1cc2c(cccc2Br)[nH]1 ZINC000584479014 565082491 /nfs/dbraw/zinc/08/24/91/565082491.db2.gz ISCRWDKTTMHZNL-GFCCVEGCSA-N 1 0 382.302 2.753 20 0 GFADRO C[C@H](C(=O)NC1(Cc2ccc(F)cc2Br)CCOCC1)[NH+](C)C ZINC000635961092 565084184 /nfs/dbraw/zinc/08/41/84/565084184.db2.gz ATVUBMQVFTXEEH-GFCCVEGCSA-N 1 0 387.293 2.746 20 0 GFADRO CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccncc1Br ZINC000684892369 565086634 /nfs/dbraw/zinc/08/66/34/565086634.db2.gz JPEKGJKSUVBPSF-SFHVURJKSA-N 1 0 376.298 2.917 20 0 GFADRO [NH3+]C[C@@H]1c2ccccc2CCN1S(=O)(=O)Cc1cccc(Br)c1 ZINC000584529383 565086852 /nfs/dbraw/zinc/08/68/52/565086852.db2.gz FBZBNNZEVDVDCR-QGZVFWFLSA-N 1 0 395.322 2.837 20 0 GFADRO C[NH+](C)CCn1ccc(C(=O)NCC(C)(C)c2cccc(Br)c2)n1 ZINC000584537929 565087042 /nfs/dbraw/zinc/08/70/42/565087042.db2.gz AOSDHWNONKUHDU-UHFFFAOYSA-N 1 0 393.329 2.915 20 0 GFADRO Cc1sc(Br)cc1S(=O)(=O)N(C)CCC[NH+]1CCCC1 ZINC000684920611 565089026 /nfs/dbraw/zinc/08/90/26/565089026.db2.gz MUGXKMNWQSMYLR-UHFFFAOYSA-N 1 0 381.361 2.925 20 0 GFADRO CS[C@@H]1CN(S(=O)(=O)c2ccc(F)c(Cl)c2)C[C@@H]1[NH+]1CCCC1 ZINC000613984308 565089061 /nfs/dbraw/zinc/08/90/61/565089061.db2.gz LFZFDGAEBLMHNI-LSDHHAIUSA-N 1 0 378.922 2.679 20 0 GFADRO C[NH+](C)[C@@H]1C[C@@H](NC(=O)c2cc(=O)c3cc(Br)ccc3[nH]2)C1(C)C ZINC000636093640 565090477 /nfs/dbraw/zinc/09/04/77/565090477.db2.gz XYOIJHVIHXJNRQ-HZPDHXFCSA-N 1 0 392.297 2.749 20 0 GFADRO C[C@H](NC(=O)C(=O)Nc1cc(Cl)c(Cl)cc1F)C1CC[NH+](C)CC1 ZINC000685028890 565094438 /nfs/dbraw/zinc/09/44/38/565094438.db2.gz CDLANXNJYZAZNF-VIFPVBQESA-N 1 0 376.259 2.918 20 0 GFADRO Cc1c(Br)cncc1C[NH2+]C1CCN(C(=O)c2ccncc2)CC1 ZINC000657319538 565096204 /nfs/dbraw/zinc/09/62/04/565096204.db2.gz JEYWGXHEWFSDIN-UHFFFAOYSA-N 1 0 389.297 2.942 20 0 GFADRO O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(-n2cc(Br)cn2)cc1 ZINC000614128585 565097050 /nfs/dbraw/zinc/09/70/50/565097050.db2.gz JDGSNMFXHMZQJF-DOTOQJQBSA-N 1 0 389.297 2.991 20 0 GFADRO CCCn1nccc1C[NH2+]CCc1ccc(S(=O)(=O)N(CC)CC)s1 ZINC000657345902 565097562 /nfs/dbraw/zinc/09/75/62/565097562.db2.gz ABTVERCBKMECMN-UHFFFAOYSA-N 1 0 384.571 2.717 20 0 GFADRO O=C(N[C@H]1CCN(c2cccc(Br)c2)C1)[C@@H]1CCc2nc[nH]c2C1 ZINC000614134121 565098204 /nfs/dbraw/zinc/09/82/04/565098204.db2.gz SPMIUUCHZRCIRY-OCCSQVGLSA-N 1 0 389.297 2.672 20 0 GFADRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2cncc(Br)c2C)cc1 ZINC000657328494 565098265 /nfs/dbraw/zinc/09/82/65/565098265.db2.gz XOVSZLZZXXXEFP-LBPRGKRZSA-N 1 0 398.326 2.911 20 0 GFADRO O[C@H](C[NH2+]Cc1ccnn1CC1CC1)COc1ccccc1Br ZINC000657398465 565099255 /nfs/dbraw/zinc/09/92/55/565099255.db2.gz CLRPREPQENRNDD-OAHLLOKOSA-N 1 0 380.286 2.585 20 0 GFADRO CCCOc1ccc(C[NH2+]C[C@H](O)CS(=O)(=O)c2cccs2)c(C)c1 ZINC000657414790 565099622 /nfs/dbraw/zinc/09/96/22/565099622.db2.gz CKQJIAGFJHNYHO-INIZCTEOSA-N 1 0 383.535 2.770 20 0 GFADRO COCC1(CNC(=O)N[C@@H]2C[C@H]2c2ccccc2Br)CC[NH2+]CC1 ZINC000584828605 565100002 /nfs/dbraw/zinc/10/00/02/565100002.db2.gz GTOFNZYHVPTPTP-GOEBONIOSA-N 1 0 396.329 2.620 20 0 GFADRO OC[C@@H](C[NH2+]Cc1cn(C2CCC2)nn1)Cc1ccc(F)c(Br)c1 ZINC000657485489 565103287 /nfs/dbraw/zinc/10/32/87/565103287.db2.gz MCZSRFSFSWOANX-CYBMUJFWSA-N 1 0 397.292 2.846 20 0 GFADRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)N(C)Cc1ccc(Cl)c(Cl)c1 ZINC000685310174 565104356 /nfs/dbraw/zinc/10/43/56/565104356.db2.gz GQVPIQDGOAYMQH-BDJLRTHQSA-N 1 0 384.307 2.551 20 0 GFADRO COC[C@H](CC[NH2+]Cc1c(Br)cncc1Br)OC ZINC000657555276 565107121 /nfs/dbraw/zinc/10/71/21/565107121.db2.gz UJAKAOLWSPQKKG-VIFPVBQESA-N 1 0 382.096 2.748 20 0 GFADRO COc1ccc(Br)c(C[NH2+]CCC2(CS(C)(=O)=O)CC2)c1 ZINC000657547369 565107390 /nfs/dbraw/zinc/10/73/90/565107390.db2.gz FZOCBKBFXDJQPF-UHFFFAOYSA-N 1 0 376.316 2.762 20 0 GFADRO O=C(NCC[NH2+]Cc1scnc1C1CC1)c1ccc(Br)cn1 ZINC000657564011 565108597 /nfs/dbraw/zinc/10/85/97/565108597.db2.gz OSSBHQQMPSFSJJ-UHFFFAOYSA-N 1 0 381.299 2.698 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)c2nnc(-c3cc(Br)cn3C)n2C)[C@H](C)C1 ZINC000685529166 565110521 /nfs/dbraw/zinc/11/05/21/565110521.db2.gz IMYZKZAUKCPHFH-OCCSQVGLSA-N 1 0 395.349 2.750 20 0 GFADRO CCOc1ccc(Br)cc1S(=O)(=O)N[C@@H](C)C[N@H+](C)C(C)C ZINC000685516098 565110924 /nfs/dbraw/zinc/11/09/24/565110924.db2.gz HOQHWAPLPHPGOI-LBPRGKRZSA-N 1 0 393.347 2.855 20 0 GFADRO OCCO[C@]1(C[NH2+]Cc2cc(C(F)(F)F)ccc2Br)CCOC1 ZINC000657597965 565111621 /nfs/dbraw/zinc/11/16/21/565111621.db2.gz DYNOAHSJSVUIHK-AWEZNQCLSA-N 1 0 398.219 2.726 20 0 GFADRO C[NH+](C)C[C@@H](NC(=O)C(=O)NCc1ccco1)c1ccc(Cl)c(Cl)c1 ZINC000636440657 565112355 /nfs/dbraw/zinc/11/23/55/565112355.db2.gz AIQUWKRGJKPQPB-OAHLLOKOSA-N 1 0 384.263 2.622 20 0 GFADRO FC1(F)C[C@H]1OCC[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000657617979 565113270 /nfs/dbraw/zinc/11/32/70/565113270.db2.gz AVILSICUWPDFQF-OAHLLOKOSA-N 1 0 391.256 2.800 20 0 GFADRO COc1ccc(N2C[C@@H]([NH2+]Cc3ccc(Br)cn3)CC2=O)cc1 ZINC000657603579 565113312 /nfs/dbraw/zinc/11/33/12/565113312.db2.gz UEQPNLXJOPSEKK-AWEZNQCLSA-N 1 0 376.254 2.748 20 0 GFADRO COc1ccc(C(=O)N2CCC[C@@H]([NH+]3CCOCC3)CC2)c(Br)c1 ZINC000614439565 565113660 /nfs/dbraw/zinc/11/36/60/565113660.db2.gz AQQNVHJEBBTUQS-CQSZACIVSA-N 1 0 397.313 2.785 20 0 GFADRO COc1cc(C[NH2+][C@H]2CC[C@H](C)S(=O)(=O)C2)ccc1OCC(F)(F)F ZINC000657636674 565115832 /nfs/dbraw/zinc/11/58/32/565115832.db2.gz HNQIKKCTMARZFL-AAEUAGOBSA-N 1 0 381.416 2.692 20 0 GFADRO O=C(NC[C@@H]1C[N@@H+]2CCN1CCC2)c1cc2ccc(Br)cc2s1 ZINC000614511605 565116679 /nfs/dbraw/zinc/11/66/79/565116679.db2.gz KXRRIYOYSVJEIW-CQSZACIVSA-N 1 0 394.338 2.784 20 0 GFADRO Cc1noc(CCNC(=O)N[C@@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)n1 ZINC000636698324 565121023 /nfs/dbraw/zinc/12/10/23/565121023.db2.gz UKADYWUJYHSZCH-AWEZNQCLSA-N 1 0 386.283 2.829 20 0 GFADRO CCOc1cc(C[NH2+]C[C@@H]2CCC(=O)N2)cc(Br)c1OC(F)F ZINC000657711619 565122142 /nfs/dbraw/zinc/12/21/42/565122142.db2.gz GIAUNZSKUGBNFL-JTQLQIEISA-N 1 0 393.228 2.817 20 0 GFADRO CC(C)[NH2+]C1CCN(C(=O)C(=O)Nc2cccc(Br)c2F)CC1 ZINC000657771960 565128540 /nfs/dbraw/zinc/12/85/40/565128540.db2.gz HZZDLURGHTYXFG-UHFFFAOYSA-N 1 0 386.265 2.516 20 0 GFADRO Cc1cc(Br)c(Cl)cc1NC(=O)C(=O)N1CCC[N@@H+](C)CC1 ZINC000657806125 565130880 /nfs/dbraw/zinc/13/08/80/565130880.db2.gz IRCHYKUPWBMKFB-UHFFFAOYSA-N 1 0 388.693 2.514 20 0 GFADRO CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)Nc2cccc(Br)c2F)C1 ZINC000657881996 565135228 /nfs/dbraw/zinc/13/52/28/565135228.db2.gz VSLJPNXBNAQQCW-NSHDSACASA-N 1 0 386.265 2.516 20 0 GFADRO CS[C@H]1CN(C(=O)c2cnc3ncc(Br)cc3c2)C[C@H]1[NH+](C)C ZINC000614860003 565136478 /nfs/dbraw/zinc/13/64/78/565136478.db2.gz AKQUMIUXPITCJQ-KGLIPLIRSA-N 1 0 395.326 2.510 20 0 GFADRO C[C@@H](CNS(=O)(=O)c1cc2c(cc1Cl)OCCO2)[N@@H+]1CCC[C@H](C)C1 ZINC000588678604 565136624 /nfs/dbraw/zinc/13/66/24/565136624.db2.gz QIVSEFMVTJXVMU-STQMWFEESA-N 1 0 388.917 2.510 20 0 GFADRO COC(=O)[C@@H](c1ccc(Cl)cc1Cl)N1CC[N@H+](CCO)C(C)(C)C1 ZINC000614920124 565139023 /nfs/dbraw/zinc/13/90/23/565139023.db2.gz DWBJYVVMEQGVJG-OAHLLOKOSA-N 1 0 375.296 2.596 20 0 GFADRO COCC[N@H+](C)CCNC(=O)NCC(C)(C)c1cccc(Br)c1 ZINC000588973883 565146317 /nfs/dbraw/zinc/14/63/17/565146317.db2.gz ABFFIIYGPQVLAD-UHFFFAOYSA-N 1 0 386.334 2.604 20 0 GFADRO CCC(C)(C)[NH2+][C@H](C)C(=O)N1CC[C@H](Oc2cncc(Br)c2)C1 ZINC000615126176 565146297 /nfs/dbraw/zinc/14/62/97/565146297.db2.gz HOTLUGFMOKBRME-OCCSQVGLSA-N 1 0 384.318 2.991 20 0 GFADRO CN(C(=O)NC[C@H]1CCC[NH2+]C1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000637239919 565146636 /nfs/dbraw/zinc/14/66/36/565146636.db2.gz FPKZJUXWEPFTNE-SWLSCSKDSA-N 1 0 382.302 2.914 20 0 GFADRO COc1ccc(C[C@H](CO)C[NH2+][C@H]2CCCn3nccc32)cc1Br ZINC000658029667 565147020 /nfs/dbraw/zinc/14/70/20/565147020.db2.gz SFNZMAASLGFMDW-HOCLYGCPSA-N 1 0 394.313 2.930 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C ZINC000658125030 565151483 /nfs/dbraw/zinc/15/14/83/565151483.db2.gz SGPBAUVULBMWDW-CQSZACIVSA-N 1 0 396.329 2.993 20 0 GFADRO C[N@@H+]1CCC[C@H]1[C@@H]1COCCN1C(=O)c1c[nH]c2cccc(Br)c12 ZINC000615269702 565154390 /nfs/dbraw/zinc/15/43/90/565154390.db2.gz MSBWAOGBAZZPGY-HOTGVXAUSA-N 1 0 392.297 2.866 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2cc(Br)cnc2OC)[C@@H](C)C1 ZINC000637407024 565154623 /nfs/dbraw/zinc/15/46/23/565154623.db2.gz PDWKKUQCZKEQAY-WFASDCNBSA-N 1 0 399.333 2.724 20 0 GFADRO C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)c1cc(=O)[nH]c2ccc(Br)cc21 ZINC000615309370 565157155 /nfs/dbraw/zinc/15/71/55/565157155.db2.gz SVENBGHIIBGDLN-ZUZCIYMTSA-N 1 0 378.270 2.868 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)cc1Br ZINC000658263032 565157391 /nfs/dbraw/zinc/15/73/91/565157391.db2.gz FOQBFSJTDSPZEZ-CYBMUJFWSA-N 1 0 396.329 2.993 20 0 GFADRO COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000658265439 565157666 /nfs/dbraw/zinc/15/76/66/565157666.db2.gz ZHALYTVUCLYVFD-JTQLQIEISA-N 1 0 388.295 2.930 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2ccc(Br)c(F)c2)C1 ZINC000658260410 565157861 /nfs/dbraw/zinc/15/78/61/565157861.db2.gz CPXCMXUIMYRTTE-NSHDSACASA-N 1 0 386.265 2.516 20 0 GFADRO C[NH+](C)C[C@@H](NC(=O)NCCCc1nnc[nH]1)c1ccc(Cl)c(Cl)c1 ZINC000637474516 565158943 /nfs/dbraw/zinc/15/89/43/565158943.db2.gz OZRUHZVZLWSMIV-CQSZACIVSA-N 1 0 385.299 2.646 20 0 GFADRO C[C@H]([NH2+]CCCc1ccco1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000658325806 565159750 /nfs/dbraw/zinc/15/97/50/565159750.db2.gz SKLCJOUUMWAXEZ-NSHDSACASA-N 1 0 387.299 2.973 20 0 GFADRO CSC1(CNS(=O)(=O)c2c(C)ccc3cccnc32)CC[NH+](C)CC1 ZINC000589296162 565160428 /nfs/dbraw/zinc/16/04/28/565160428.db2.gz HXQOATNXEXUBOL-UHFFFAOYSA-N 1 0 379.551 2.649 20 0 GFADRO CCN(C(=O)C(=O)Nc1c(C)cc(Br)cc1C)[C@H]1CC[N@H+](C)C1 ZINC000658356038 565160412 /nfs/dbraw/zinc/16/04/12/565160412.db2.gz GLZGXDOKRDQQBE-AWEZNQCLSA-N 1 0 382.302 2.557 20 0 GFADRO CCN(C(=O)C(=O)Nc1cc(Cl)cc(C(F)(F)F)c1)[C@H]1CC[N@H+](C)C1 ZINC000658361456 565161572 /nfs/dbraw/zinc/16/15/72/565161572.db2.gz MXTZTOLPJFDLCY-ZDUSSCGKSA-N 1 0 377.794 2.850 20 0 GFADRO CCN(C(=O)C(=O)Nc1cccc(Cl)c1Br)[C@@H]1CC[N@H+](C)C1 ZINC000658362630 565161945 /nfs/dbraw/zinc/16/19/45/565161945.db2.gz VVRNKGQJKHKJGT-SNVBAGLBSA-N 1 0 388.693 2.594 20 0 GFADRO CCN(C(=O)C(=O)Nc1cccc(Br)c1Cl)[C@H]1CC[N@H+](C)C1 ZINC000658361197 565161984 /nfs/dbraw/zinc/16/19/84/565161984.db2.gz LUBCJRAGGGZXLD-JTQLQIEISA-N 1 0 388.693 2.594 20 0 GFADRO O=S(=O)(c1cc(Cl)ccc1OC(F)(F)F)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000658373188 565162737 /nfs/dbraw/zinc/16/27/37/565162737.db2.gz BFXFXXYLZWDVJE-CYBMUJFWSA-N 1 0 384.807 2.613 20 0 GFADRO O=C(NCc1ccsc1C(F)(F)F)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000637594472 565163256 /nfs/dbraw/zinc/16/32/56/565163256.db2.gz IFQUJRCMQVQWKH-QWHCGFSZSA-N 1 0 377.432 2.508 20 0 GFADRO CCCOc1ccc(Br)cc1S(=O)(=O)N1CC[C@H]([C@H](C)[NH3+])C1 ZINC000658375572 565163959 /nfs/dbraw/zinc/16/39/59/565163959.db2.gz JGHMVKDUEAIEFE-RYUDHWBXSA-N 1 0 391.331 2.596 20 0 GFADRO C[C@@H]1CCCC[C@]1(C[NH3+])NS(=O)(=O)Cc1cc(F)ccc1Br ZINC000658378470 565164550 /nfs/dbraw/zinc/16/45/50/565164550.db2.gz YYLRVQUGHLKLPA-IAQYHMDHSA-N 1 0 393.322 2.915 20 0 GFADRO CCCOc1ccc(Br)cc1S(=O)(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000658378192 565164697 /nfs/dbraw/zinc/16/46/97/565164697.db2.gz NXFZWYCRRMQVJZ-CYBMUJFWSA-N 1 0 391.331 2.658 20 0 GFADRO C[C@@H]1CCN(S(=O)(=O)c2cc(Cl)ccc2OC(F)(F)F)C[C@@H]1C[NH3+] ZINC000658382603 565165885 /nfs/dbraw/zinc/16/58/85/565165885.db2.gz RNEOZXKRLPRAED-ZJUUUORDSA-N 1 0 386.823 2.844 20 0 GFADRO O=S(=O)(c1ccc(Br)s1)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000658387379 565167066 /nfs/dbraw/zinc/16/70/66/565167066.db2.gz PZWHHEMBSZMBSV-LBPRGKRZSA-N 1 0 393.372 2.911 20 0 GFADRO O=S(=O)(c1c[nH]c2nccc(Cl)c12)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000658386978 565167124 /nfs/dbraw/zinc/16/71/24/565167124.db2.gz FMKHJBZCCYFBBG-CYBMUJFWSA-N 1 0 382.917 2.617 20 0 GFADRO COc1nc(C)c(Br)cc1C(=O)N1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000615607549 565167710 /nfs/dbraw/zinc/16/77/10/565167710.db2.gz ZIGZJKBPUWPAEY-KRWDZBQOSA-N 1 0 382.302 2.719 20 0 GFADRO COc1cc(Cl)c(S(=O)(=O)N[C@@H]2CC[NH2+]C3(CCC3)C2)cc1Cl ZINC000658402279 565167717 /nfs/dbraw/zinc/16/77/17/565167717.db2.gz LZQXDJFGTHOQHH-SNVBAGLBSA-N 1 0 379.309 2.955 20 0 GFADRO C[C@H](CCNC(=O)C(=O)Nc1ccc(-c2ccc(Cl)s2)nc1)[NH+](C)C ZINC000658425380 565169406 /nfs/dbraw/zinc/16/94/06/565169406.db2.gz DGJNCYZPTLTHMM-LLVKDONJSA-N 1 0 380.901 2.858 20 0 GFADRO Cc1cc(Br)c(Cl)cc1NC(=O)C(=O)NCC[C@H](C)[NH+](C)C ZINC000658428482 565169439 /nfs/dbraw/zinc/16/94/39/565169439.db2.gz LXENFOQWAZZFGM-JTQLQIEISA-N 1 0 390.709 2.806 20 0 GFADRO CN(C)c1ncc(C[NH2+]C[C@@H]2CCN(c3cccc(Br)c3)C2)cn1 ZINC000589644119 565169555 /nfs/dbraw/zinc/16/95/55/565169555.db2.gz CLPMLUHNFCHEJL-AWEZNQCLSA-N 1 0 390.329 2.921 20 0 GFADRO Cc1ccc(-c2nc(NC(=O)C(=O)NCC[C@@H](C)[NH+](C)C)sc2C)s1 ZINC000658428957 565169625 /nfs/dbraw/zinc/16/96/25/565169625.db2.gz ONYLMZKIWKPGQQ-SNVBAGLBSA-N 1 0 380.539 2.883 20 0 GFADRO COc1ccc(NC(=O)[C@H](C(C)C)[NH+](C)C)c(I)c1 ZINC000589851458 565171991 /nfs/dbraw/zinc/17/19/91/565171991.db2.gz YZVDQQQAPGABSW-ZDUSSCGKSA-N 1 0 376.238 2.825 20 0 GFADRO COc1cccc(C[C@@H]([NH3+])C(=O)NCCc2ccc(Br)s2)c1 ZINC000637900296 565175320 /nfs/dbraw/zinc/17/53/20/565175320.db2.gz UXTKPLKLRVQYDP-CQSZACIVSA-N 1 0 383.311 2.748 20 0 GFADRO O=C(NCc1ccc(Cl)c(Cl)c1)C(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000658515505 565175848 /nfs/dbraw/zinc/17/58/48/565175848.db2.gz DFDGGZQRUNNURY-AWEZNQCLSA-N 1 0 384.307 2.696 20 0 GFADRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(Cc2ccc(Cl)c(S(N)(=O)=O)c2)C1 ZINC000637952595 565178106 /nfs/dbraw/zinc/17/81/06/565178106.db2.gz PDVXUFUEZFSJJG-IIAWOOMASA-N 1 0 385.961 2.825 20 0 GFADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](C)Oc1ccc(Cl)c(Cl)c1 ZINC000590116939 565178144 /nfs/dbraw/zinc/17/81/44/565178144.db2.gz HGVPOAXEJBGYCR-CHWSQXEVSA-N 1 0 375.296 2.988 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc(Br)cc(N4CCCC4)c3)C[C@@H]21 ZINC000615851414 565178395 /nfs/dbraw/zinc/17/83/95/565178395.db2.gz ZFZBBEMSMUYJTN-DYVFJYSZSA-N 1 0 378.314 2.825 20 0 GFADRO C[N@@H+](Cc1ccc(Cl)c(S(N)(=O)=O)c1)C[C@@H]1OCCc2ccccc21 ZINC000637967639 565179247 /nfs/dbraw/zinc/17/92/47/565179247.db2.gz UKLZAFIIXODJOL-KRWDZBQOSA-N 1 0 380.897 2.733 20 0 GFADRO CCCC(=O)NC[C@H]1CCC[N@H+](Cc2cnn3cc(Br)cnc23)C1 ZINC000637988978 565180082 /nfs/dbraw/zinc/18/00/82/565180082.db2.gz QEVKGGHMCIPLSC-CYBMUJFWSA-N 1 0 394.317 2.620 20 0 GFADRO CO[C@]1(C[NH+]2CCC(C(=O)Nc3cccc(Br)c3)CC2)CCOC1 ZINC000637991562 565180568 /nfs/dbraw/zinc/18/05/68/565180568.db2.gz RUPFQZSVHGXVEN-SFHVURJKSA-N 1 0 397.313 2.905 20 0 GFADRO CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N(C)Cc2cc(Cl)cc(Cl)c2)C1 ZINC000658692331 565182883 /nfs/dbraw/zinc/18/28/83/565182883.db2.gz IQQWFABZUFXFFN-INIZCTEOSA-N 1 0 386.323 2.941 20 0 GFADRO CCC[NH+](CCC)CCCNS(=O)(=O)c1cncc(Br)c1 ZINC000590299876 565182889 /nfs/dbraw/zinc/18/28/89/565182889.db2.gz XLVNKPDYEOWUCG-UHFFFAOYSA-N 1 0 378.336 2.635 20 0 GFADRO O=C(c1ccc2cncc(Br)c2n1)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000638141996 565185674 /nfs/dbraw/zinc/18/56/74/565185674.db2.gz ADIWUUUWPJBLAH-ZFWWWQNUSA-N 1 0 389.297 2.997 20 0 GFADRO C[NH+]1CCC2(CCN(C(=O)Cc3ccc(I)cc3)C2)CC1 ZINC000590375587 565185827 /nfs/dbraw/zinc/18/58/27/565185827.db2.gz IMLLSNAEHLFBDL-UHFFFAOYSA-N 1 0 398.288 2.778 20 0 GFADRO [NH3+]C[C@H](NC(=O)N1CCc2[nH]c3ccc(Br)cc3c2C1)C1CC1 ZINC000638155457 565185774 /nfs/dbraw/zinc/18/57/74/565185774.db2.gz AJQVRKQDYUHRMX-INIZCTEOSA-N 1 0 377.286 2.735 20 0 GFADRO C[N@H+](CC1CC1)C[C@@H]1CCN(Cc2cnn3cc(Br)cnc23)C1 ZINC000638134954 565185997 /nfs/dbraw/zinc/18/59/97/565185997.db2.gz QRVYOUYXYXZATG-AWEZNQCLSA-N 1 0 378.318 2.656 20 0 GFADRO COc1nsc(CN2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)c1Br ZINC000638177212 565187840 /nfs/dbraw/zinc/18/78/40/565187840.db2.gz BIPDAUWHSQZOMV-SDDRHHMPSA-N 1 0 390.347 2.598 20 0 GFADRO Cc1cccc(CC(=O)N2C[C@@H](C[NH3+])C3(C2)CCOCC3)c1Br ZINC000638260720 565190219 /nfs/dbraw/zinc/19/02/19/565190219.db2.gz BHNGLSPINUJRFB-OAHLLOKOSA-N 1 0 381.314 2.514 20 0 GFADRO CO[C@H]1C[NH2+][C@@](C)(C(=O)N2CCC(Oc3cccc(Br)c3)CC2)C1 ZINC000638300532 565191228 /nfs/dbraw/zinc/19/12/28/565191228.db2.gz HCLXOILLPAFADC-SJLPKXTDSA-N 1 0 397.313 2.586 20 0 GFADRO Cc1cc(C[NH3+])oc1C(=O)N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000638298670 565191393 /nfs/dbraw/zinc/19/13/93/565191393.db2.gz DCZVHAHOQRDWEN-CQSZACIVSA-N 1 0 382.247 2.889 20 0 GFADRO [NH3+]Cc1ncc(C(=O)N[C@H]2C[C@H](c3ccc(F)c(Br)c3)C2)cn1 ZINC000638325699 565192181 /nfs/dbraw/zinc/19/21/81/565192181.db2.gz KKTYLNBASBGMSB-UMSPYCQHSA-N 1 0 379.233 2.513 20 0 GFADRO CN1CC[C@H]([NH2+][C@H]2CCCCNC2=O)C[C@H]1c1ccc(Br)cc1 ZINC000638352314 565192660 /nfs/dbraw/zinc/19/26/60/565192660.db2.gz OJLCDDHVIQFYDV-ULQDDVLXSA-N 1 0 380.330 2.843 20 0 GFADRO Cc1ccccc1C1(C[NH2+]Cc2ccc(S(N)(=O)=O)s2)CCOCC1 ZINC000638417496 565195695 /nfs/dbraw/zinc/19/56/95/565195695.db2.gz HXIIRQPCSUEHRF-UHFFFAOYSA-N 1 0 380.535 2.542 20 0 GFADRO C[C@@H](C[C@H]1CCCC(=O)N1)[NH2+]CCCNC(=O)c1ccc(Br)cc1 ZINC000638489428 565197833 /nfs/dbraw/zinc/19/78/33/565197833.db2.gz NBZHHZLWQFMMFY-XJKSGUPXSA-N 1 0 396.329 2.606 20 0 GFADRO O=C(N[C@@H]1CC[NH2+]C12CCC2)c1[nH]nc(-c2ccccc2)c1Br ZINC000638505174 565199040 /nfs/dbraw/zinc/19/90/40/565199040.db2.gz TURUNWYLVNOISI-GFCCVEGCSA-N 1 0 375.270 2.854 20 0 GFADRO O=C(N[C@H]1CC[NH2+]C12CCC2)c1nn(-c2ccc(F)cc2)cc1Br ZINC000638501483 565199268 /nfs/dbraw/zinc/19/92/68/565199268.db2.gz FFNWZULLWQXWBD-AWEZNQCLSA-N 1 0 393.260 2.788 20 0 GFADRO O=C(N[C@@H]1C[NH2+]C[C@H]1c1ccccc1)c1sc2c(c1Br)CNC2 ZINC000638528670 565200033 /nfs/dbraw/zinc/20/00/33/565200033.db2.gz GRWLTNNMXMZECZ-WCQYABFASA-N 1 0 392.322 2.599 20 0 GFADRO Brc1cnc2c(C[NH2+]CCCCNc3ccccn3)cnn2c1 ZINC000638518496 565200332 /nfs/dbraw/zinc/20/03/32/565200332.db2.gz MCZNEGJHYLDAQZ-UHFFFAOYSA-N 1 0 375.274 2.869 20 0 GFADRO CC(=O)Nc1ccc(Cl)c(C(=O)N2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1 ZINC000638557676 565201578 /nfs/dbraw/zinc/20/15/78/565201578.db2.gz RVAHBSYNUAYKEY-GXFFZTMASA-N 1 0 377.794 2.898 20 0 GFADRO Cc1cc(Br)c(Cl)cc1NC(=O)C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000659086599 565201680 /nfs/dbraw/zinc/20/16/80/565201680.db2.gz YMEGXZCBFGDSDN-JTQLQIEISA-N 1 0 388.693 2.608 20 0 GFADRO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)Nc1cccc(Br)c1Cl ZINC000659106020 565201864 /nfs/dbraw/zinc/20/18/64/565201864.db2.gz FMUPNNKCHTWIIS-SNVBAGLBSA-N 1 0 376.682 2.531 20 0 GFADRO C[C@H](CS(C)(=O)=O)[NH2+][C@@H]1CCN(C)[C@@H](c2ccc(Br)cc2)C1 ZINC000638590804 565202548 /nfs/dbraw/zinc/20/25/48/565202548.db2.gz RHRHVXHXPRCDBI-DAXOMENPSA-N 1 0 389.359 2.607 20 0 GFADRO CC[C@@]1([NH2+]Cc2cc(I)c(OC)c(OC)c2)CCOC1 ZINC000616487730 565203414 /nfs/dbraw/zinc/20/34/14/565203414.db2.gz UIKRLVROPYXMND-OAHLLOKOSA-N 1 0 391.249 2.967 20 0 GFADRO O=C(C[C@@H]1COCC[NH2+]1)N[C@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC000638597023 565203996 /nfs/dbraw/zinc/20/39/96/565203996.db2.gz VZFLXMLXPQQNOD-WBMJQRKESA-N 1 0 392.297 2.803 20 0 GFADRO CS(=O)(=O)[C@@H]1CCC[C@@H]([NH2+]Cc2c(C(F)(F)F)nc3n2CCCC3)C1 ZINC000638659230 565205199 /nfs/dbraw/zinc/20/51/99/565205199.db2.gz AERWOCYXRJCZFI-VXGBXAGGSA-N 1 0 379.448 2.684 20 0 GFADRO COc1nsc(C[NH2+][C@H]2CCC[C@H](C(=O)N(C)C)C2)c1Br ZINC000638634445 565206059 /nfs/dbraw/zinc/20/60/59/565206059.db2.gz HAIDVQQSTYNEMI-UWVGGRQHSA-N 1 0 376.320 2.651 20 0 GFADRO CN1C[C@H]([NH2+][C@H]2CCN(C)[C@H](c3ccc(Br)cc3)C2)CCC1=O ZINC000638667675 565207347 /nfs/dbraw/zinc/20/73/47/565207347.db2.gz ZATNLQXQRICYEG-BBWFWOEESA-N 1 0 380.330 2.795 20 0 GFADRO Cc1cc(Br)ccc1[C@H]1CCCN1C(=O)c1cnc(C[NH3+])nc1 ZINC000638685733 565207427 /nfs/dbraw/zinc/20/74/27/565207427.db2.gz FGPDVBBPFSZZSP-OAHLLOKOSA-N 1 0 375.270 2.984 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCN(C)[C@H](c2ccc(Br)cc2)C1)[C@@H]1CN(C)CCO1 ZINC000638761664 565209396 /nfs/dbraw/zinc/20/93/96/565209396.db2.gz HQBIFHWTUXBZSW-VLQPXKRTSA-N 1 0 396.373 2.893 20 0 GFADRO CO[C@]1(C[NH2+][C@@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)CCOC1 ZINC000638758883 565209516 /nfs/dbraw/zinc/20/95/16/565209516.db2.gz CKYDWFLMLKKYDM-DOMZBBRYSA-N 1 0 379.810 2.728 20 0 GFADRO Brc1cnc2c(C[NH2+][C@@H]3CCO[C@]4(CCSC4)C3)cnn2c1 ZINC000638776000 565210201 /nfs/dbraw/zinc/21/02/01/565210201.db2.gz LBAMABDLLCVAHQ-UKRRQHHQSA-N 1 0 383.315 2.636 20 0 GFADRO O=C(COc1c(Cl)cccc1Cl)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000638776186 565210474 /nfs/dbraw/zinc/21/04/74/565210474.db2.gz MZCSFSRCWVBQNA-AWEZNQCLSA-N 1 0 387.307 2.989 20 0 GFADRO O=C(Cc1ccc(Br)cc1)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000638775450 565210877 /nfs/dbraw/zinc/21/08/77/565210877.db2.gz GRQIOTCPMLNIGK-KRWDZBQOSA-N 1 0 381.314 2.609 20 0 GFADRO CN1CC[C@@H]([NH2+]CC2(CO)CCOCC2)C[C@H]1c1ccc(Br)cc1 ZINC000638783612 565211337 /nfs/dbraw/zinc/21/13/37/565211337.db2.gz ILHYPXINFYTHTP-MSOLQXFVSA-N 1 0 397.357 2.963 20 0 GFADRO C[C@H]([NH2+]Cc1cnn2cc(Br)cnc12)[C@H](O)Cc1ccccc1 ZINC000638785775 565211987 /nfs/dbraw/zinc/21/19/87/565211987.db2.gz ZVYZUCVMZFJNHY-BLLLJJGKSA-N 1 0 375.270 2.574 20 0 GFADRO C[C@@H]1C[C@@H](C)N(C(=O)c2cc(Br)cc3c2OCCO3)C[C@@H]1C[NH3+] ZINC000659326022 565212663 /nfs/dbraw/zinc/21/26/63/565212663.db2.gz PQENSSFPCLBJKO-UTUOFQBUSA-N 1 0 383.286 2.666 20 0 GFADRO [NH3+][C@@H](Cc1ccccc1)C(=O)N1CCN(c2ccc(Br)cc2)CC1 ZINC000659358008 565214235 /nfs/dbraw/zinc/21/42/35/565214235.db2.gz OATXWVMRNWNOME-SFHVURJKSA-N 1 0 388.309 2.668 20 0 GFADRO O=C([C@H]1C[C@@]12CC[NH2+]C2)N1CC2(CCOCC2)c2ccc(Br)cc21 ZINC000638842100 565214357 /nfs/dbraw/zinc/21/43/57/565214357.db2.gz LRMYEXWLRKIOSD-DNVCBOLYSA-N 1 0 391.309 2.844 20 0 GFADRO C[C@@H](CC(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1)n1cc(Br)cn1 ZINC000659364630 565214733 /nfs/dbraw/zinc/21/47/33/565214733.db2.gz RFAPAAIXHRUIMY-BLLLJJGKSA-N 1 0 393.285 2.896 20 0 GFADRO O=C(Cc1ccccc1Br)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000591165225 565217451 /nfs/dbraw/zinc/21/74/51/565217451.db2.gz YKNADIOYALBXSU-MRXNPFEDSA-N 1 0 381.314 2.705 20 0 GFADRO C[C@@H](NC(=O)N(C)CC(C)(C)[NH3+])c1cc2c(cc1Br)OCCO2 ZINC000659439593 565217567 /nfs/dbraw/zinc/21/75/67/565217567.db2.gz HTPXPCQPAVDSCE-SNVBAGLBSA-N 1 0 386.290 2.660 20 0 GFADRO C[NH2+]C[C@@H](C)NC(=O)NCCOc1ccc(Br)cc1C(F)(F)F ZINC000659475494 565217631 /nfs/dbraw/zinc/21/76/31/565217631.db2.gz OQELYWAVYFAZAJ-SECBINFHSA-N 1 0 398.223 2.754 20 0 GFADRO Cc1nn(-c2ccc(C(=O)N3C[C@@H]([NH3+])C[C@@H]3C)cc2)c(C)c1Br ZINC000638936894 565218061 /nfs/dbraw/zinc/21/80/61/565218061.db2.gz FNNOOJKSMZIXFB-HZMBPMFUSA-N 1 0 377.286 2.813 20 0 GFADRO O=C(Cc1csc(COc2ccc(Cl)cc2)n1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638924297 565218463 /nfs/dbraw/zinc/21/84/63/565218463.db2.gz UOKWPSGXQQCBQM-OKILXGFUSA-N 1 0 377.897 2.881 20 0 GFADRO [NH3+][C@@H]1CN(C(=O)NCCc2c[nH]c3cccc(Br)c23)CC[C@H]1F ZINC000659494177 565219162 /nfs/dbraw/zinc/21/91/62/565219162.db2.gz QZAZBTPTIAGAHU-CHWSQXEVSA-N 1 0 383.265 2.554 20 0 GFADRO O=C(NC[C@H]1CCCC[NH2+]1)N1CCOC[C@@H]1c1ccc(Br)cc1 ZINC000659509189 565219232 /nfs/dbraw/zinc/21/92/32/565219232.db2.gz XYAQXRDYGPHRPH-HZPDHXFCSA-N 1 0 382.302 2.674 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)c2cn3ccc(Br)cc3n2)C1 ZINC000617003142 565219501 /nfs/dbraw/zinc/21/95/01/565219501.db2.gz VXZBUKIQXZFONH-LBPRGKRZSA-N 1 0 379.302 2.947 20 0 GFADRO O=C(NCc1ccc(Cl)c(Cl)c1)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000659537384 565219922 /nfs/dbraw/zinc/21/99/22/565219922.db2.gz FSRRZODEHIWHOD-CYBMUJFWSA-N 1 0 399.244 2.629 20 0 GFADRO [NH3+]C1(CNC(=O)N2CCN(c3cccc(Br)c3)CC2)CCCC1 ZINC000659573163 565220160 /nfs/dbraw/zinc/22/01/60/565220160.db2.gz CIYQEMPKJYEPRM-UHFFFAOYSA-N 1 0 381.318 2.552 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)N2CCOC[C@H]2c2ccc(Br)cc2)CC[NH2+]1 ZINC000659544706 565220586 /nfs/dbraw/zinc/22/05/86/565220586.db2.gz XIQWJGFPMUHAQU-WQVCFCJDSA-N 1 0 382.302 2.673 20 0 GFADRO COC(=O)[C@@H]1CSCC[N@H+](Cc2cnn(Cc3ccccc3Cl)c2)C1 ZINC000591267152 565220791 /nfs/dbraw/zinc/22/07/91/565220791.db2.gz RKHXNYQWIHYQAQ-INIZCTEOSA-N 1 0 379.913 2.923 20 0 GFADRO O=C(NC[C@H]1CCCC[NH2+]1)Nc1cc(F)c(I)c(F)c1 ZINC000591284681 565220813 /nfs/dbraw/zinc/22/08/13/565220813.db2.gz GIRDVMHZYUDCNY-MRVPVSSYSA-N 1 0 395.191 2.833 20 0 GFADRO O=C(NCC[NH2+]C1CC1)Nc1ccc(I)cc1Cl ZINC000591275172 565220834 /nfs/dbraw/zinc/22/08/34/565220834.db2.gz SOYZSUVLWBUPBH-UHFFFAOYSA-N 1 0 379.629 2.818 20 0 GFADRO [NH3+][C@H]1CC[C@H](NC(=O)[C@H]2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000639026796 565220891 /nfs/dbraw/zinc/22/08/91/565220891.db2.gz MGSYWGIGNPMJBH-BZUAXINKSA-N 1 0 384.307 2.984 20 0 GFADRO [NH3+]C1(CNC(=O)NCc2noc(-c3cccc(Br)c3)n2)CCCC1 ZINC000659576511 565221488 /nfs/dbraw/zinc/22/14/88/565221488.db2.gz CPYGFQLRHMIILJ-UHFFFAOYSA-N 1 0 394.273 2.570 20 0 GFADRO O=C(Nc1ccc(F)cc1I)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000591288456 565221998 /nfs/dbraw/zinc/22/19/98/565221998.db2.gz ZGVZHQZGHQPWRZ-ZACCUICWSA-N 1 0 389.212 2.835 20 0 GFADRO O=C(Nc1ccc(F)cc1I)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000591288438 565222063 /nfs/dbraw/zinc/22/20/63/565222063.db2.gz RHGCYQWZVYZNDX-TVQRCGJNSA-N 1 0 389.212 2.646 20 0 GFADRO CO[C@@H](C[NH2+]CCC(=O)Nc1ccc(Br)cc1C)[C@H]1CCOC1 ZINC000639042512 565222083 /nfs/dbraw/zinc/22/20/83/565222083.db2.gz XVMNEXPHSWMLAY-BBRMVZONSA-N 1 0 385.302 2.727 20 0 GFADRO Cc1cc(Br)cn2cc(C[NH2+][C@@H](C)C[C@@H]3CCCC(=O)N3)nc12 ZINC000639058659 565222679 /nfs/dbraw/zinc/22/26/79/565222679.db2.gz CZBDELSGCKUTGG-JSGCOSHPSA-N 1 0 379.302 2.942 20 0 GFADRO Cc1cc(Br)cn2cc(C[NH2+][C@H](C)C[C@@H]3CCCC(=O)N3)nc12 ZINC000639058660 565223006 /nfs/dbraw/zinc/22/30/06/565223006.db2.gz CZBDELSGCKUTGG-OCCSQVGLSA-N 1 0 379.302 2.942 20 0 GFADRO Cc1cc(I)cc(NC(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)c1 ZINC000591306836 565223769 /nfs/dbraw/zinc/22/37/69/565223769.db2.gz ONTKHKAGOVVWJD-SMDDNHRTSA-N 1 0 385.249 2.815 20 0 GFADRO CS[C@H]1CN(C(=O)c2nnc(-c3c(F)cccc3F)s2)C[C@H]1[NH+](C)C ZINC000591343897 565224654 /nfs/dbraw/zinc/22/46/54/565224654.db2.gz OLKZGTGOXVDHGN-NEPJUHHUSA-N 1 0 384.477 2.601 20 0 GFADRO Fc1ccc(C[NH2+]CCOC[C@@H]2CCOC2)c(I)c1 ZINC000591355453 565226881 /nfs/dbraw/zinc/22/68/81/565226881.db2.gz FSVOEEVNVSBCKM-LLVKDONJSA-N 1 0 379.213 2.573 20 0 GFADRO O=C(NCC[NH2+]C1CC1)N1CCC[C@@H]1c1ccccc1I ZINC000591359273 565227480 /nfs/dbraw/zinc/22/74/80/565227480.db2.gz JDQYYVVCZGKSJK-OAHLLOKOSA-N 1 0 399.276 2.890 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H]2CN(c3ncnc4ccc(I)cc43)C[C@@H]21 ZINC000591434889 565229556 /nfs/dbraw/zinc/22/95/56/565229556.db2.gz KDZFTQIDDFYJLN-DDTOSNHZSA-N 1 0 394.260 2.798 20 0 GFADRO C[N@@H+]1CC[C@H](C(=O)N2CCC(C(=O)Nc3ccccc3Br)CC2)C1 ZINC000591453041 565231462 /nfs/dbraw/zinc/23/14/62/565231462.db2.gz SCCJWETUCICLCD-AWEZNQCLSA-N 1 0 394.313 2.578 20 0 GFADRO Brc1cnc2c(C[NH2+][C@H]3CCO[C@@H](c4ccncc4)C3)cnn2c1 ZINC000639232293 565233173 /nfs/dbraw/zinc/23/31/73/565233173.db2.gz GFEXGIZHLAQKMX-JKSUJKDBSA-N 1 0 388.269 2.897 20 0 GFADRO C[N@H+](Cc1ccc(S(N)(=O)=O)c(Cl)c1)[C@@H](CO)c1ccc(Cl)cc1 ZINC000639225794 565233252 /nfs/dbraw/zinc/23/32/52/565233252.db2.gz SACSDUZOSVWNMH-HNNXBMFYSA-N 1 0 389.304 2.806 20 0 GFADRO CN1CC[C@H]([NH2+]C[C@@]2(C)CCC(=O)N2)C[C@H]1c1ccc(Br)cc1 ZINC000639245285 565234687 /nfs/dbraw/zinc/23/46/87/565234687.db2.gz VGLPLBFOWBGLHT-XYJFISCASA-N 1 0 380.330 2.843 20 0 GFADRO CO[C@H](C[NH2+]C[C@H](CO)Cc1ccc(C)c(Br)c1)[C@H]1CCOC1 ZINC000639245886 565234863 /nfs/dbraw/zinc/23/48/63/565234863.db2.gz NHMRFPVWWNUEOU-SOLBZPMBSA-N 1 0 386.330 2.550 20 0 GFADRO Cc1ccc(C[C@H](CO)C[NH2+][C@H](C)C[C@H]2CCCC(=O)N2)cc1Br ZINC000639241419 565235265 /nfs/dbraw/zinc/23/52/65/565235265.db2.gz AIKGMMUMUZVSOD-HYVNUMGLSA-N 1 0 397.357 2.945 20 0 GFADRO CN1CC[C@H]([NH2+]C[C@@H]2CCCNC2=O)C[C@H]1c1ccc(Br)cc1 ZINC000639260446 565235937 /nfs/dbraw/zinc/23/59/37/565235937.db2.gz UTKKVQFBXXAECD-XIRDDKMYSA-N 1 0 380.330 2.700 20 0 GFADRO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+]Cc2cccn(C(F)F)c2=O)c1 ZINC000639262042 565235982 /nfs/dbraw/zinc/23/59/82/565235982.db2.gz OUORGVNROCGFJZ-UHFFFAOYSA-N 1 0 390.839 2.980 20 0 GFADRO C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)C1 ZINC000617414342 565236971 /nfs/dbraw/zinc/23/69/71/565236971.db2.gz GOOKPEISHFFZJO-BBRMVZONSA-N 1 0 384.307 2.808 20 0 GFADRO Fc1ccc(N2CC[C@@H]([NH2+]Cc3cnn4cc(Br)cnc34)C2)cc1 ZINC000639274424 565237107 /nfs/dbraw/zinc/23/71/07/565237107.db2.gz PHDNJGXFDMANIH-OAHLLOKOSA-N 1 0 390.260 2.999 20 0 GFADRO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000617503472 565243187 /nfs/dbraw/zinc/24/31/87/565243187.db2.gz KYHDZCTYAJVERG-JCGIZDLHSA-N 1 0 396.373 2.941 20 0 GFADRO CCN(C(=O)CCNC(=O)Nc1ccc(Br)cc1)[C@H]1CC[N@H+](C)C1 ZINC000617557254 565246520 /nfs/dbraw/zinc/24/65/20/565246520.db2.gz HPGLMRCNZIADSS-HNNXBMFYSA-N 1 0 397.317 2.513 20 0 GFADRO CCCN(C[C@H](O)COc1cc(Cl)cc(Cl)c1)[C@H]1CCS(=O)(=O)C1 ZINC000639451754 565246857 /nfs/dbraw/zinc/24/68/57/565246857.db2.gz KUHGCHUKDCCYGH-GJZGRUSLSA-N 1 0 396.336 2.632 20 0 GFADRO CCN(C(=O)C1CCN(C(=O)c2ccc(Cl)s2)CC1)[C@H]1CC[N@H+](C)C1 ZINC000617557060 565247264 /nfs/dbraw/zinc/24/72/64/565247264.db2.gz CYGAZTVSQDEAHZ-AWEZNQCLSA-N 1 0 383.945 2.806 20 0 GFADRO CC(C)(O)C[N@H+](C[C@H](O)COc1cc(Cl)cc(Cl)c1)C1CCOCC1 ZINC000639513879 565248649 /nfs/dbraw/zinc/24/86/49/565248649.db2.gz LBCJWLFGJIZIGO-INIZCTEOSA-N 1 0 392.323 2.985 20 0 GFADRO O=C(Nc1ccc(Br)cn1)[C@@H]1CCC[N@H+](Cc2cc[nH]c(=O)c2)C1 ZINC000639523118 565249186 /nfs/dbraw/zinc/24/91/86/565249186.db2.gz VFAVZHBESAXHEV-CYBMUJFWSA-N 1 0 391.269 2.795 20 0 GFADRO C[C@@H]1OCC[C@@H]1C[NH+]1CCC(C(=O)Nc2ccc(Br)cn2)CC1 ZINC000639523054 565249709 /nfs/dbraw/zinc/24/97/09/565249709.db2.gz TZDHOLCGBPTLCM-GXTWGEPZSA-N 1 0 382.302 2.920 20 0 GFADRO Cc1ncc(CNC(=O)CC[NH2+][C@@H](CO)c2ccc(Br)cc2)s1 ZINC000639596221 565250854 /nfs/dbraw/zinc/25/08/54/565250854.db2.gz JPFOLBOITWFNNV-HNNXBMFYSA-N 1 0 398.326 2.544 20 0 GFADRO O=C(C1CC1)N1CCC[N@@H+](C[C@H](O)COc2cc(Cl)cc(Cl)c2)CC1 ZINC000639600745 565250909 /nfs/dbraw/zinc/25/09/09/565250909.db2.gz IVEJLZBVFJLREZ-INIZCTEOSA-N 1 0 387.307 2.677 20 0 GFADRO C[C@@H]([NH2+]C[C@@H]1CCc2ncnn21)c1cc2c(cc1Br)OCCO2 ZINC000639562143 565251037 /nfs/dbraw/zinc/25/10/37/565251037.db2.gz SGNLXDDADBUQEP-MNOVXSKESA-N 1 0 379.258 2.650 20 0 GFADRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C[C@@H](O)COc1cc(Cl)cc(Cl)c1 ZINC000639601324 565251087 /nfs/dbraw/zinc/25/10/87/565251087.db2.gz OGXPPHGBLJPDNR-CZUORRHYSA-N 1 0 391.339 2.510 20 0 GFADRO CCN(CC(F)(F)F)C(=O)C[NH2+][C@@](C)(CO)c1ccc(Br)cc1 ZINC000639639297 565253616 /nfs/dbraw/zinc/25/36/16/565253616.db2.gz UYQXOHALYDIOOG-AWEZNQCLSA-N 1 0 397.235 2.657 20 0 GFADRO CCC[N@H+](C)CC(C)(C)NS(=O)(=O)c1ccc(OC)cc1Br ZINC000660107444 565253629 /nfs/dbraw/zinc/25/36/29/565253629.db2.gz GMPKECCCKYJTFE-UHFFFAOYSA-N 1 0 393.347 2.856 20 0 GFADRO COCC[N@@H+]1CCC[C@@H](NC(=O)CCCOc2ccccc2Br)C1 ZINC000592096794 565255069 /nfs/dbraw/zinc/25/50/69/565255069.db2.gz QULIVMWXMNLCRK-OAHLLOKOSA-N 1 0 399.329 2.835 20 0 GFADRO CN(Cc1ccc(Cl)s1)C(=O)CN1CCCN(c2cc[nH+]cc2)CC1 ZINC000639682097 565255233 /nfs/dbraw/zinc/25/52/33/565255233.db2.gz KKWMRICVYZXYKL-UHFFFAOYSA-N 1 0 378.929 2.967 20 0 GFADRO COCC[N@@H+]1CCC[C@H](NC(=O)CCCOc2ccccc2Br)C1 ZINC000592096793 565255619 /nfs/dbraw/zinc/25/56/19/565255619.db2.gz QULIVMWXMNLCRK-HNNXBMFYSA-N 1 0 399.329 2.835 20 0 GFADRO CC(C)[C@H](NC(=O)c1ccccc1Br)C(=O)NCC[C@@H](C)[NH+](C)C ZINC000617745682 565256339 /nfs/dbraw/zinc/25/63/39/565256339.db2.gz TYFFLPMLZSSOFV-CJNGLKHVSA-N 1 0 398.345 2.660 20 0 GFADRO C[C@H](CCNC(=O)CSc1nnc(-c2cccs2)n1C1CC1)[NH+](C)C ZINC000617751863 565256595 /nfs/dbraw/zinc/25/65/95/565256595.db2.gz DWCIYZWCNGBNMU-GFCCVEGCSA-N 1 0 379.555 2.890 20 0 GFADRO CN(CCC[NH+](C)C)CCNC(=O)c1cc2cc(Br)sc2[nH]1 ZINC000617767447 565258800 /nfs/dbraw/zinc/25/88/00/565258800.db2.gz WAOBPBVTSAZCGK-UHFFFAOYSA-N 1 0 387.347 2.605 20 0 GFADRO CO[C@@H]1CCC[C@H]([C@@H](CO)[NH2+]C[C@@H](O)COc2cc(Cl)cc(Cl)c2)C1 ZINC000639784571 565262081 /nfs/dbraw/zinc/26/20/81/565262081.db2.gz JEGYBGQGLDAUIU-LMWIJYBJSA-N 1 0 392.323 2.889 20 0 GFADRO C[NH+](C)CCC[C@H]1CN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CCO1 ZINC000660159809 565262215 /nfs/dbraw/zinc/26/22/15/565262215.db2.gz XUTUJPOTGHIYFA-LBPRGKRZSA-N 1 0 381.325 2.725 20 0 GFADRO C[N@H+](Cc1ccc2nc(NC(=O)CCCS(C)(=O)=O)sc2c1)C1CC1 ZINC000617866222 565264248 /nfs/dbraw/zinc/26/42/48/565264248.db2.gz DVBXRFGTVFDAPO-UHFFFAOYSA-N 1 0 381.523 2.654 20 0 GFADRO O=C(C[NH2+]CC1CC1)NCc1cc(Cl)cc(I)c1 ZINC000592254987 565264645 /nfs/dbraw/zinc/26/46/45/565264645.db2.gz CUSGCBBXHXETGG-UHFFFAOYSA-N 1 0 378.641 2.560 20 0 GFADRO CS(=O)(=O)N1CCC[C@@H](C[NH2+][C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)C1 ZINC000639906126 565267343 /nfs/dbraw/zinc/26/73/43/565267343.db2.gz FTSBNFKQQPEDIC-VUCTXSBTSA-N 1 0 390.908 2.570 20 0 GFADRO CCN(C(=O)c1cc(Br)cc2c1OCCO2)[C@@H]1CC[N@H+](CC)C1 ZINC000617923989 565267615 /nfs/dbraw/zinc/26/76/15/565267615.db2.gz LIOFNZIEVMJIPI-CYBMUJFWSA-N 1 0 383.286 2.777 20 0 GFADRO CCN(C(=O)c1cc(Br)cc2[nH]c(=O)[nH]c21)[C@@H]1CC[N@H+](CC)C1 ZINC000617924609 565267691 /nfs/dbraw/zinc/26/76/91/565267691.db2.gz YPDCDNJSJPLPPK-LLVKDONJSA-N 1 0 381.274 2.587 20 0 GFADRO CC(C)(C(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)c1ccc(Br)cc1 ZINC000592404765 565273520 /nfs/dbraw/zinc/27/35/20/565273520.db2.gz NDDBOQYFUKMJOZ-IAGOWNOFSA-N 1 0 395.341 2.784 20 0 GFADRO C[C@H](CCc1ccc(I)cc1)CC(=O)N1CC[NH2+]CC1 ZINC000592444997 565276738 /nfs/dbraw/zinc/27/67/38/565276738.db2.gz CYQNDXKSEKMKJJ-CYBMUJFWSA-N 1 0 386.277 2.682 20 0 GFADRO CN(CC1C[NH+](C)C1)C(=O)c1ccc(Br)cc1Br ZINC000618191918 565279920 /nfs/dbraw/zinc/27/99/20/565279920.db2.gz XCVKRDJVDPQIOI-UHFFFAOYSA-N 1 0 376.092 2.845 20 0 GFADRO [NH3+]C[C@@H]1CCCn2ncc(C(=O)NC3(c4ccc(Br)cc4)CC3)c21 ZINC000592498975 565280012 /nfs/dbraw/zinc/28/00/12/565280012.db2.gz MRFWGHBAFOJTGV-LBPRGKRZSA-N 1 0 389.297 2.901 20 0 GFADRO C[C@H](CCc1ccc(I)cc1)CC(=O)NCC1C[NH2+]C1 ZINC000592540882 565280786 /nfs/dbraw/zinc/28/07/86/565280786.db2.gz TWVSQUPDUODQGS-GFCCVEGCSA-N 1 0 386.277 2.586 20 0 GFADRO CO[C@@H]1CS(=O)(=O)C[C@@H]1N1CCC[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000660537656 565281528 /nfs/dbraw/zinc/28/15/28/565281528.db2.gz WANLZMACSYFAFE-VNQPRFMTSA-N 1 0 377.428 2.697 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)N1CCOc2cc(Br)ccc2C1 ZINC000660571649 565284127 /nfs/dbraw/zinc/28/41/27/565284127.db2.gz ONQUVAPEBSDJNG-HZPDHXFCSA-N 1 0 394.313 2.980 20 0 GFADRO C[NH+](C)CCn1nccc1NC(=O)N1CCc2c1cccc2Br ZINC000640173695 565285645 /nfs/dbraw/zinc/28/56/45/565285645.db2.gz NLZOLANVWJBSRT-UHFFFAOYSA-N 1 0 378.274 2.802 20 0 GFADRO CC(C)[C@H](CNC(=O)Nc1cscc1Br)[NH+]1CCN(C)CC1 ZINC000640191834 565286690 /nfs/dbraw/zinc/28/66/90/565286690.db2.gz MRMJMSQCOUZBCP-AWEZNQCLSA-N 1 0 389.363 2.904 20 0 GFADRO CC(C)[N@H+](C)CCNC(=O)Nc1cc(N2CCOCC2)ccc1Br ZINC000640234376 565288892 /nfs/dbraw/zinc/28/88/92/565288892.db2.gz QBHVOWLKJMLEEA-UHFFFAOYSA-N 1 0 399.333 2.747 20 0 GFADRO OCCC1([NH2+]C[C@H](O)COc2cc(F)cc(Br)c2)CCCC1 ZINC000660682565 565289630 /nfs/dbraw/zinc/28/96/30/565289630.db2.gz PRECIPUAGPBUJO-AWEZNQCLSA-N 1 0 376.266 2.613 20 0 GFADRO CCN1CCCN(CCS(=O)(=O)c2cccc(Br)c2)[C@@H](C)C1 ZINC000660790274 565293652 /nfs/dbraw/zinc/29/36/52/565293652.db2.gz GEGZYPUESWTMDZ-AWEZNQCLSA-N 1 0 389.359 2.639 20 0 GFADRO C[C@@H](CNC(=O)Nc1nn(CC(F)(F)F)cc1Cl)C[NH+]1CCCCC1 ZINC000640292864 565293686 /nfs/dbraw/zinc/29/36/86/565293686.db2.gz PHUVPUMXGAFERG-NSHDSACASA-N 1 0 381.830 3.342 20 0 GFADRO CC[N@@H+]1CCCN(C[C@@H](O)COc2cc(F)cc(Br)c2)[C@@H](C)C1 ZINC000660788342 565294057 /nfs/dbraw/zinc/29/40/57/565294057.db2.gz YHKAGAYDGBXAHN-XJKSGUPXSA-N 1 0 389.309 2.744 20 0 GFADRO OCC1([C@@H]([NH2+]CCOc2ccc(Br)cc2)C2CC2)CCOCC1 ZINC000661084279 565305996 /nfs/dbraw/zinc/30/59/96/565305996.db2.gz XGQZWHUCIURVBU-KRWDZBQOSA-N 1 0 384.314 2.985 20 0 GFADRO OC[C@@H]([NH2+]Cc1cc(Cl)ccc1I)[C@@H]1CCCOC1 ZINC000593035125 565308554 /nfs/dbraw/zinc/30/85/54/565308554.db2.gz YHXBIWJZPOHVSH-QMTHXVAHSA-N 1 0 395.668 2.822 20 0 GFADRO O[C@H](C[NH2+]C1(c2ccc(Br)cc2)CCCCC1)CN1CCOCC1 ZINC000661133964 565308965 /nfs/dbraw/zinc/30/89/65/565308965.db2.gz PQACJWYFYPJUNM-GOSISDBHSA-N 1 0 397.357 2.891 20 0 GFADRO COC[C@H]([NH2+]CC(=O)Nc1nc(-c2cccs2)cs1)C1CCOCC1 ZINC000661157131 565309717 /nfs/dbraw/zinc/30/97/17/565309717.db2.gz FGWSIOVUMGMKBG-ZDUSSCGKSA-N 1 0 381.523 2.841 20 0 GFADRO COC[C@H]([NH2+]CCC(=O)Nc1cccc(Br)c1)C1CCOCC1 ZINC000661155304 565310019 /nfs/dbraw/zinc/31/00/19/565310019.db2.gz AFFUCODGNMPXCJ-INIZCTEOSA-N 1 0 385.302 2.809 20 0 GFADRO COC[C@H]([NH2+]CC(=O)N(C)Cc1cc(Cl)cc(Cl)c1)C1CCOCC1 ZINC000661157709 565310551 /nfs/dbraw/zinc/31/05/51/565310551.db2.gz JTJXSIIODYJQFT-KRWDZBQOSA-N 1 0 389.323 2.983 20 0 GFADRO COC[C@H]([NH2+]C[C@H](O)COc1c(Cl)cccc1Cl)C1CCOCC1 ZINC000661160296 565311274 /nfs/dbraw/zinc/31/12/74/565311274.db2.gz KGRSLUUPWFIWON-BBRMVZONSA-N 1 0 378.296 2.764 20 0 GFADRO CO[C@@H]1CCC[C@@H]([C@@H](CO)[NH2+]CC(=O)Nc2ccc(Br)cc2)C1 ZINC000661216948 565313475 /nfs/dbraw/zinc/31/34/75/565313475.db2.gz IEFQRSXXGBUYNZ-DAXOMENPSA-N 1 0 385.302 2.543 20 0 GFADRO CCC(C)(C)[C@@H](C)[NH2+]CC(=O)NCC(=O)Nc1ccccc1Br ZINC000661232994 565314859 /nfs/dbraw/zinc/31/48/59/565314859.db2.gz SHKJSMYOMWMFPE-GFCCVEGCSA-N 1 0 384.318 2.918 20 0 GFADRO CO[C@@H]1CCC[C@@H]([C@@H](CO)[NH2+]CC(=O)Nc2ccc(Br)c(C)c2)C1 ZINC000661223327 565315050 /nfs/dbraw/zinc/31/50/50/565315050.db2.gz YLLFDVAJDKFKPJ-FRFSOERESA-N 1 0 399.329 2.852 20 0 GFADRO COC(=O)[C@@H]1C[N@H+](C[C@H](O)COc2ccc(Cl)cc2Cl)C[C@H]1C1CC1 ZINC000593126851 565315379 /nfs/dbraw/zinc/31/53/79/565315379.db2.gz QBLXYWDJSGBVAI-SOUVJXGZSA-N 1 0 388.291 2.864 20 0 GFADRO C[NH+]1CC2(C1)CCN(C(=O)c1ccc(Cl)c(I)c1)C2 ZINC000618920863 565321845 /nfs/dbraw/zinc/32/18/45/565321845.db2.gz CSSUYQGFMGVDHW-UHFFFAOYSA-N 1 0 390.652 2.722 20 0 GFADRO C[C@H](NC(=O)Cn1cc(C2CC[NH2+]CC2)nn1)c1ccc(Cl)cc1Cl ZINC000640838316 565329589 /nfs/dbraw/zinc/32/95/89/565329589.db2.gz DPCHDFLNCMBVPS-NSHDSACASA-N 1 0 382.295 2.929 20 0 GFADRO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[N@@H+]1CC[C@@H]2NC(=O)CC[C@H]2C1 ZINC000661606227 565330173 /nfs/dbraw/zinc/33/01/73/565330173.db2.gz UVZMWVYFYFPPBM-BBRMVZONSA-N 1 0 384.307 2.552 20 0 GFADRO C[C@@H](NC(=O)Cn1cc([C@@H]([NH3+])C(C)(C)C)nn1)c1ccc(Br)cc1 ZINC000640846628 565331288 /nfs/dbraw/zinc/33/12/88/565331288.db2.gz CHQJZXUKQKPFJE-BDJLRTHQSA-N 1 0 394.317 2.964 20 0 GFADRO CN(Cc1cc(Br)cs1)C(=O)C[N@@H+]1CCC[C@](O)(C2CC2)C1 ZINC000661631237 565331757 /nfs/dbraw/zinc/33/17/57/565331757.db2.gz YVGBQUSWYVRFJC-MRXNPFEDSA-N 1 0 387.343 2.706 20 0 GFADRO C[C@H]1C[C@@H](Nc2ncnc3cc(I)sc32)CC[N@@H+]1C ZINC000593464241 565332633 /nfs/dbraw/zinc/33/26/33/565332633.db2.gz HNCFVTLEZHTLCS-IUCAKERBSA-N 1 0 388.278 3.191 20 0 GFADRO CCCCc1noc(Cn2cc([C@H]([NH3+])c3ccc(Br)cc3)nn2)n1 ZINC000640921897 565337369 /nfs/dbraw/zinc/33/73/69/565337369.db2.gz LKKSCHCQDAYOLC-MRXNPFEDSA-N 1 0 391.273 2.863 20 0 GFADRO COCC[NH2+]CCc1cn([C@@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)nn1 ZINC000640924943 565337523 /nfs/dbraw/zinc/33/75/23/565337523.db2.gz LJVWHXXJRDYTKW-NSHDSACASA-N 1 0 386.283 2.563 20 0 GFADRO COc1ccc(Cn2cc(C3CC[NH2+]CC3)nn2)c(Br)c1OC ZINC000640989695 565339570 /nfs/dbraw/zinc/33/95/70/565339570.db2.gz ORKOEKZZFWNALX-UHFFFAOYSA-N 1 0 381.274 2.573 20 0 GFADRO CS[C@@H]1CN(C(=O)[C@H]2CCOc3ccc(Br)cc32)C[C@H]1[NH+](C)C ZINC000593562383 565341765 /nfs/dbraw/zinc/34/17/65/565341765.db2.gz UOYHAWQNKRIVLP-JGGQBBKZSA-N 1 0 399.354 2.819 20 0 GFADRO [NH3+][C@H](c1cn(Cc2cn3cc(Cl)cc(Cl)c3n2)nn1)C1CCOCC1 ZINC000641018296 565342203 /nfs/dbraw/zinc/34/22/03/565342203.db2.gz KNJKNAHJFUPWBE-HNNXBMFYSA-N 1 0 381.267 2.707 20 0 GFADRO O=C(N[C@H]1CCC[NH2+]CC1)N1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000641052755 565344020 /nfs/dbraw/zinc/34/40/20/565344020.db2.gz OMMQBYMQALQINT-JKSUJKDBSA-N 1 0 382.302 2.674 20 0 GFADRO COCC[C@@H]([NH3+])Cc1cn([C@@H]2CCCc3ccc(Br)cc32)nn1 ZINC000641123749 565348769 /nfs/dbraw/zinc/34/87/69/565348769.db2.gz XFPWPJGHDFEDBJ-RHSMWYFYSA-N 1 0 379.302 2.873 20 0 GFADRO COCC[C@H]([NH3+])Cc1cn(Cc2cc(Cl)c(C)cc2Br)nn1 ZINC000641171771 565352133 /nfs/dbraw/zinc/35/21/33/565352133.db2.gz WKRBMKMHXPNRRF-LBPRGKRZSA-N 1 0 387.709 2.957 20 0 GFADRO CC(C)(C)[C@H]([NH3+])c1cn(C[C@H](O)COc2cccc(Br)c2)nn1 ZINC000641196887 565353469 /nfs/dbraw/zinc/35/34/69/565353469.db2.gz TVZAQVXMBOECEX-SWLSCSKDSA-N 1 0 383.290 2.526 20 0 GFADRO O=C(Nc1cc(Cl)cc(Cl)c1)[C@@H]1CCCN1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662251911 565357687 /nfs/dbraw/zinc/35/76/87/565357687.db2.gz INPAFRGQOXCYIP-CVEARBPZSA-N 1 0 384.307 2.917 20 0 GFADRO CC[NH+](CC)Cc1cccc(CNS(=O)(=O)Cc2cc(OC)ns2)c1 ZINC000641284583 565358833 /nfs/dbraw/zinc/35/88/33/565358833.db2.gz PDOXWQQIWUURAM-UHFFFAOYSA-N 1 0 383.539 2.613 20 0 GFADRO NC(=O)[C@@H](c1cccc(Br)c1)N1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000662309316 565359148 /nfs/dbraw/zinc/35/91/48/565359148.db2.gz KTIQCKHKJSCMEP-NXHRZFHOSA-N 1 0 379.298 2.868 20 0 GFADRO COC(=O)c1cc(NC(=O)NCCC2(C[NH3+])CC2)c(Br)cc1F ZINC000593756849 565359428 /nfs/dbraw/zinc/35/94/28/565359428.db2.gz GXEJJJPBQPUIEW-UHFFFAOYSA-N 1 0 388.237 2.625 20 0 GFADRO COc1ccc(NC(=O)N2C[C@H](SC)[C@@H]([NH+](C)C)C2)c(C(F)(F)F)n1 ZINC000619798148 565359963 /nfs/dbraw/zinc/35/99/63/565359963.db2.gz UWEAIEMZVNPIQZ-QWRGUYRKSA-N 1 0 378.420 2.618 20 0 GFADRO CCC[N@@H+]1CC[C@@H](NC(=O)c2cnn(-c3ccc(Br)cc3)c2)C1 ZINC000619893727 565361942 /nfs/dbraw/zinc/36/19/42/565361942.db2.gz JZZKDUHVBUKDOK-OAHLLOKOSA-N 1 0 377.286 2.849 20 0 GFADRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1sc2c(c1Br)CNC2 ZINC000662403447 565366014 /nfs/dbraw/zinc/36/60/14/565366014.db2.gz MCRSTTYAEQQYAO-MNOVXSKESA-N 1 0 386.359 2.964 20 0 GFADRO O=C(Nc1nnc(SCc2cccs2)s1)c1cn[nH]c1[C@@H]1CC[NH2+]C1 ZINC000662400796 565366093 /nfs/dbraw/zinc/36/60/93/565366093.db2.gz GCEGOBQLDKMXIO-SECBINFHSA-N 1 0 392.535 2.944 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)[C@@H]2CCO[C@H]2c2cncc(Br)c2)C1 ZINC000662419551 565366583 /nfs/dbraw/zinc/36/65/83/565366583.db2.gz JZZBXCRIUAKUCL-OJDYBEQGSA-N 1 0 382.302 2.508 20 0 GFADRO [NH3+]CCC1CCN(C(=O)c2cc(F)c(F)cc2I)CC1 ZINC000593916484 565367499 /nfs/dbraw/zinc/36/74/99/565367499.db2.gz MKSULYIAUGCTFF-UHFFFAOYSA-N 1 0 394.203 2.770 20 0 GFADRO COCC[N@@H+]1CC[C@@H](NC(=O)COc2cc(Cl)c(Cl)cc2Cl)C1 ZINC000593912915 565367586 /nfs/dbraw/zinc/36/75/86/565367586.db2.gz BWUUDCPQNHFORP-SNVBAGLBSA-N 1 0 381.687 2.863 20 0 GFADRO O=C(Nc1cc(F)c(I)c(F)c1)[C@H]1CCC[NH2+]CC1 ZINC000593903609 565367606 /nfs/dbraw/zinc/36/76/06/565367606.db2.gz HZJGLZBTOLMFRO-QMMMGPOBSA-N 1 0 380.176 2.898 20 0 GFADRO COCC[N@@H+]1CC[C@@H](NC(=O)CCCCc2ccc(Br)cc2)C1 ZINC000593915528 565367729 /nfs/dbraw/zinc/36/77/29/565367729.db2.gz SJBKDJIFZUUBKR-QGZVFWFLSA-N 1 0 383.330 2.999 20 0 GFADRO O=C(NCCC1CC[NH2+]CC1)c1cc(F)c(F)cc1I ZINC000593920080 565367768 /nfs/dbraw/zinc/36/77/68/565367768.db2.gz WYBHPTZTGKEYID-UHFFFAOYSA-N 1 0 394.203 2.689 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)[C@@H]1[NH2+]CCC1(C)C ZINC000662444110 565368526 /nfs/dbraw/zinc/36/85/26/565368526.db2.gz CQNGBJIRXXEUGH-HNNXBMFYSA-N 1 0 382.302 2.543 20 0 GFADRO C[N@H+](CCNC(=O)[C@@H](N)c1ccccc1Br)Cc1ccc(F)cc1 ZINC000662490411 565371448 /nfs/dbraw/zinc/37/14/48/565371448.db2.gz PRHARWFYBDLETL-KRWDZBQOSA-N 1 0 394.288 2.836 20 0 GFADRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)c2sc3c(c2Br)CNC3)C1 ZINC000662499167 565372572 /nfs/dbraw/zinc/37/25/72/565372572.db2.gz WUCLGIPJPGSPIY-LLVKDONJSA-N 1 0 386.359 2.822 20 0 GFADRO Cc1c(Cl)cccc1NC(=O)CCNC(=O)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662548373 565376080 /nfs/dbraw/zinc/37/60/80/565376080.db2.gz PUGHEHYVQAELNU-OAHLLOKOSA-N 1 0 377.794 2.635 20 0 GFADRO CN(C(=O)Cc1ccc(Br)c(Br)c1)C1CC([NH3+])C1 ZINC000662565850 565377267 /nfs/dbraw/zinc/37/72/67/565377267.db2.gz JBCSEJQKPMJXHR-UHFFFAOYSA-N 1 0 376.092 2.702 20 0 GFADRO C[NH2+]CCCN(C)C(=O)Cc1ccc(Br)c(Br)c1 ZINC000662575528 565378498 /nfs/dbraw/zinc/37/84/98/565378498.db2.gz CFTFEIAAUIINHM-UHFFFAOYSA-N 1 0 378.108 2.822 20 0 GFADRO Cc1c(Br)cncc1C(=O)N1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000662576588 565378621 /nfs/dbraw/zinc/37/86/21/565378621.db2.gz WCOSNPBSQTUTGJ-CZUORRHYSA-N 1 0 382.302 2.511 20 0 GFADRO CN(CC(C)(C)[NH3+])C(=O)Cc1ccc(Br)c(Br)c1 ZINC000662603526 565379701 /nfs/dbraw/zinc/37/97/01/565379701.db2.gz WYMSUFAZWOHLIH-UHFFFAOYSA-N 1 0 378.108 2.950 20 0 GFADRO CC1(C)CC[NH2+][C@H]1C(=O)NC[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000662696785 565381846 /nfs/dbraw/zinc/38/18/46/565381846.db2.gz UYZCUZDWYFKBKS-CJNGLKHVSA-N 1 0 380.330 2.780 20 0 GFADRO [NH3+]CC12CC(C1)CN2C(=O)[C@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl ZINC000662677119 565382113 /nfs/dbraw/zinc/38/21/13/565382113.db2.gz UZKLJHRCOJFELX-YSTGTXGZSA-N 1 0 382.291 2.548 20 0 GFADRO O=C(NCCC[C@@H]1CCC[NH2+]1)[C@@H]1CCO[C@H]1c1cncc(Br)c1 ZINC000662784480 565384407 /nfs/dbraw/zinc/38/44/07/565384407.db2.gz KFPMKYBUBMAFAT-XHSDSOJGSA-N 1 0 382.302 2.570 20 0 GFADRO O=C(c1cc(Br)cc2c1OCCO2)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000662814159 565385474 /nfs/dbraw/zinc/38/54/74/565385474.db2.gz QKTISYKAEYGLHL-IUODEOHRSA-N 1 0 395.297 2.825 20 0 GFADRO COc1cc(NC(=O)c2cc(C(C)(C)[NH3+])no2)cc(OC)c1Br ZINC000662801498 565385762 /nfs/dbraw/zinc/38/57/62/565385762.db2.gz UIMGAWICICHMMP-UHFFFAOYSA-N 1 0 384.230 2.900 20 0 GFADRO O=C(c1ccc(Br)cc1Cl)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000620487251 565386357 /nfs/dbraw/zinc/38/63/57/565386357.db2.gz UEVXUVJQZGXROU-CYBMUJFWSA-N 1 0 387.705 2.774 20 0 GFADRO C[C@@H]([NH3+])C[C@H](C)NC(=O)Cc1ccc(Br)c(Br)c1 ZINC000662825066 565387195 /nfs/dbraw/zinc/38/71/95/565387195.db2.gz YLNLPEAROBBSRI-BDAKNGLRSA-N 1 0 378.108 2.996 20 0 GFADRO [NH3+]C1(CNC(=O)C2(c3ccc(Br)cc3)CCOCC2)CCCC1 ZINC000662863851 565387995 /nfs/dbraw/zinc/38/79/95/565387995.db2.gz XUGQUVTVTZOPHB-UHFFFAOYSA-N 1 0 381.314 2.885 20 0 GFADRO C[C@@H](C[NH+](C)C)[C@@H]1CCCCN1S(=O)(=O)c1cnccc1C(F)(F)F ZINC000641625813 565388134 /nfs/dbraw/zinc/38/81/34/565388134.db2.gz XNQNNCXTCRXKLW-JSGCOSHPSA-N 1 0 379.448 2.841 20 0 GFADRO [NH3+]C1(C(=O)N2CCOc3cc(Br)ccc3C2)Cc2ccccc2C1 ZINC000662938048 565390048 /nfs/dbraw/zinc/39/00/48/565390048.db2.gz BKBGSFCXODBICG-UHFFFAOYSA-N 1 0 387.277 2.666 20 0 GFADRO CCn1ccnc1[C@H](C)NS(=O)(=O)c1cc(Cl)cc(C(=O)OC)c1F ZINC000594465220 565390314 /nfs/dbraw/zinc/39/03/14/565390314.db2.gz YWKUTKLRBSYMDT-VIFPVBQESA-N 1 0 389.836 2.522 20 0 GFADRO CC[NH+]1CCN(CCC(=O)N2Cc3ccc(C)c(Br)c3C2)CC1 ZINC000620654615 565390568 /nfs/dbraw/zinc/39/05/68/565390568.db2.gz VXOLOTNOKXVWON-UHFFFAOYSA-N 1 0 380.330 2.627 20 0 GFADRO O=C(C[C@H]1CSCC[NH2+]1)Nc1cccc(S(=O)(=O)c2ccccc2)c1 ZINC000662969164 565391362 /nfs/dbraw/zinc/39/13/62/565391362.db2.gz KMFDJEFPUYNUPL-HNNXBMFYSA-N 1 0 376.503 2.553 20 0 GFADRO O=C(N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1)c1ccc(Cl)cc1Cl ZINC000641663598 565391578 /nfs/dbraw/zinc/39/15/78/565391578.db2.gz BXDPFQLGWKIPHX-OAHLLOKOSA-N 1 0 386.323 2.520 20 0 GFADRO O[C@@]1(CC[NH2+]Cc2cc(Br)sc2Br)CCOC1 ZINC000641769606 565398152 /nfs/dbraw/zinc/39/81/52/565398152.db2.gz VYFRSFMTMHSFTF-NSHDSACASA-N 1 0 385.121 2.904 20 0 GFADRO CC[C@@H]1CN(C(=O)CNC(=O)c2sc3ccccc3c2Cl)C[C@H](C)[NH2+]1 ZINC000620907224 565400285 /nfs/dbraw/zinc/40/02/85/565400285.db2.gz IVADYXYOJMTSET-NWDGAFQWSA-N 1 0 379.913 2.883 20 0 GFADRO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)C1=Cc2cc(Br)ccc2OC1 ZINC000594642053 565403251 /nfs/dbraw/zinc/40/32/51/565403251.db2.gz YHAWCLIMMKHDJG-MRXNPFEDSA-N 1 0 377.282 2.825 20 0 GFADRO CC(C)[C@H]1CN(C(=O)c2cc(=O)[nH]c3ccc(Br)cc32)CC[NH2+]1 ZINC000621154173 565408511 /nfs/dbraw/zinc/40/85/11/565408511.db2.gz HNAUVOWSDNPGRA-OAHLLOKOSA-N 1 0 378.270 2.773 20 0 GFADRO COc1ccc(Br)cc1C1(C(=O)N2CC[NH2+][C@@H](C(C)C)C2)CC1 ZINC000621161087 565408694 /nfs/dbraw/zinc/40/86/94/565408694.db2.gz SWACNCWSTCFUGA-OAHLLOKOSA-N 1 0 381.314 2.946 20 0 GFADRO Cc1cc(Br)ccc1C(=O)N1CCC([NH2+]CCOCCF)CC1 ZINC000663339503 565414092 /nfs/dbraw/zinc/41/40/92/565414092.db2.gz WWHMTUOMLIRQLZ-UHFFFAOYSA-N 1 0 387.293 2.938 20 0 GFADRO CN(C(=O)CC[NH2+]Cc1ccc(S(C)(=O)=O)c(Cl)c1)c1ccccc1 ZINC000663361347 565414708 /nfs/dbraw/zinc/41/47/08/565414708.db2.gz FZXHGCQYKDJOOA-UHFFFAOYSA-N 1 0 380.897 2.886 20 0 GFADRO CC1(C)OCC[C@H]1C[NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000663370027 565415126 /nfs/dbraw/zinc/41/51/26/565415126.db2.gz ISWPZWIUZICHEA-SMDDNHRTSA-N 1 0 376.266 2.733 20 0 GFADRO O[C@H](C[NH2+]C1CCN([C@H]2CCOC2)CC1)COc1cc(Cl)ccc1Cl ZINC000663362915 565415414 /nfs/dbraw/zinc/41/54/14/565415414.db2.gz FNFWKPWMVJJSQG-JKSUJKDBSA-N 1 0 389.323 2.576 20 0 GFADRO CC(=O)NCC1CC[NH+](C[C@@H](O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000642626514 565416346 /nfs/dbraw/zinc/41/63/46/565416346.db2.gz CRJDFUUSIJMNNB-CQSZACIVSA-N 1 0 375.296 2.581 20 0 GFADRO FC(F)(F)Oc1ccc(CN2CCOC3(C[NH2+]C3)C2)cc1Br ZINC000663508581 565424150 /nfs/dbraw/zinc/42/41/50/565424150.db2.gz DNHVSWHICVPWHJ-UHFFFAOYSA-N 1 0 381.192 2.522 20 0 GFADRO COc1cc[nH+]c(N2CCN(c3nc(C)nc(C)c3Br)CC2)c1 ZINC000663546849 565425971 /nfs/dbraw/zinc/42/59/71/565425971.db2.gz YWPUWPOQOSYKOF-UHFFFAOYSA-N 1 0 378.274 2.586 20 0 GFADRO C[C@]1(NC(=O)Nc2ccc(CCn3cc(Br)cn3)cc2)CC[NH2+]C1 ZINC000663589671 565427107 /nfs/dbraw/zinc/42/71/07/565427107.db2.gz TUFFBRQICXCGRR-KRWDZBQOSA-N 1 0 392.301 2.762 20 0 GFADRO CCn1cnnc1CC[NH2+]Cc1cc(Cl)ccc1I ZINC000594927329 565435783 /nfs/dbraw/zinc/43/57/83/565435783.db2.gz WNXIITKWJZKCLH-UHFFFAOYSA-N 1 0 390.656 2.888 20 0 GFADRO CN(c1nc(C2CC2)ncc1Br)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000663593132 565428208 /nfs/dbraw/zinc/42/82/08/565428208.db2.gz NNORGKOYUKKCKA-OAHLLOKOSA-N 1 0 394.361 2.721 20 0 GFADRO CC(C)[NH2+][C@H]1CCCN(C(=O)N[C@H]2C[C@H](C)S(=O)(=O)c3sccc32)C1 ZINC000643289136 565428684 /nfs/dbraw/zinc/42/86/84/565428684.db2.gz TWUHSRMJHAADHF-YDHLFZDLSA-N 1 0 385.555 2.527 20 0 GFADRO OC[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1Nc1cc(Br)cnn1 ZINC000663649978 565429263 /nfs/dbraw/zinc/42/92/63/565429263.db2.gz FDXDVZPVMOOCGM-ZBFHGGJFSA-N 1 0 377.286 2.534 20 0 GFADRO Brc1ccc2nnc(N3CC[C@H]4[C@H](CCC[N@@H+]4C4CC4)C3)n2c1 ZINC000663737085 565432507 /nfs/dbraw/zinc/43/25/07/565432507.db2.gz RMFCLPHWPLCUJQ-DOMZBBRYSA-N 1 0 376.302 2.945 20 0 GFADRO Cc1nc(C)c(Br)c(N2CCOC[C@H]2c2noc(C(C)C)n2)n1 ZINC000663779782 565434880 /nfs/dbraw/zinc/43/48/80/565434880.db2.gz BHNIOMSQBLFYBA-NSHDSACASA-N 1 0 382.262 2.940 20 0 GFADRO O=C(CC[C@@H]1CCC[NH2+]C1)N[C@@H]1CCN(c2ccccc2Br)C1 ZINC000621647632 565434876 /nfs/dbraw/zinc/43/48/76/565434876.db2.gz LMEUFBKGXSPJGD-LSDHHAIUSA-N 1 0 380.330 2.924 20 0 GFADRO [NH3+][C@H]1CCc2ncc(NC(=O)c3cc4c(cc3Br)OCO4)cc2C1 ZINC000621653048 565435088 /nfs/dbraw/zinc/43/50/88/565435088.db2.gz NYRVAEGCKDCHNR-JTQLQIEISA-N 1 0 390.237 2.641 20 0 GFADRO O=C(C[C@H]1CSCC[NH2+]1)NCC(F)(F)c1ccc(Br)cc1 ZINC000621671280 565435877 /nfs/dbraw/zinc/43/58/77/565435877.db2.gz MYOOWEUZUQLHHA-LBPRGKRZSA-N 1 0 379.270 2.752 20 0 GFADRO O=C(c1cc2c(cc1Br)OCO2)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000621659706 565435960 /nfs/dbraw/zinc/43/59/60/565435960.db2.gz PUWGXRCPZUDYOD-NWDGAFQWSA-N 1 0 381.270 2.640 20 0 GFADRO COC[C@@H]([NH2+]Cc1ccc(F)cc1I)C1CCOCC1 ZINC000594957152 565437346 /nfs/dbraw/zinc/43/73/46/565437346.db2.gz NGFWDHDGHCMGQQ-OAHLLOKOSA-N 1 0 393.240 2.962 20 0 GFADRO C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000621780455 565441036 /nfs/dbraw/zinc/44/10/36/565441036.db2.gz RPGJXUINXWPENZ-SIIHOXLZSA-N 1 0 380.330 2.609 20 0 GFADRO CC(=O)N1CCC([NH2+][C@@H]2CCc3ccc(I)cc32)CC1 ZINC000595003322 565441157 /nfs/dbraw/zinc/44/11/57/565441157.db2.gz HBCIBFSBLGYHDO-MRXNPFEDSA-N 1 0 384.261 2.879 20 0 GFADRO [NH3+]C[C@@H](NC(=O)NCC(F)(F)c1ccc(Br)cc1)C(F)(F)F ZINC000621827555 565444068 /nfs/dbraw/zinc/44/40/68/565444068.db2.gz ZWAAOTBDKBAXGB-SECBINFHSA-N 1 0 390.150 2.730 20 0 GFADRO [NH3+]C[C@H]1CC[C@H](NC(=O)NCC(F)(F)c2ccc(Br)cc2)C1 ZINC000621848612 565444318 /nfs/dbraw/zinc/44/43/18/565444318.db2.gz COILVDYSLNSIHB-GWCFXTLKSA-N 1 0 376.245 2.968 20 0 GFADRO O=C(C[NH2+][C@@H]1COC2(CCC2)C1)Nc1ccc(I)cc1 ZINC000595041133 565444912 /nfs/dbraw/zinc/44/49/12/565444912.db2.gz YIJMNSVMZZVSDT-ZDUSSCGKSA-N 1 0 386.233 2.531 20 0 GFADRO CO[C@H](C[NH2+][C@H](C)c1ccccc1I)[C@H]1CCOC1 ZINC000595060205 565445488 /nfs/dbraw/zinc/44/54/88/565445488.db2.gz JZNVKLVINLOBKN-TYNCELHUSA-N 1 0 375.250 2.993 20 0 GFADRO C[C@H]([NH2+]CCc1ccc(I)cc1)C(C)(C)n1cncn1 ZINC000595095911 565448045 /nfs/dbraw/zinc/44/80/45/565448045.db2.gz SXOSFFCZYYTTQZ-LBPRGKRZSA-N 1 0 384.265 2.839 20 0 GFADRO CS(=O)(=O)N1CCCC[C@@H]1C[NH2+][C@@H](Cc1ccncc1)c1cccs1 ZINC000643893589 565451236 /nfs/dbraw/zinc/45/12/36/565451236.db2.gz DEYMVMVOFMSDJS-SJORKVTESA-N 1 0 379.551 2.831 20 0 GFADRO C[C@H](NC(=O)c1cc(Br)c[nH]c1=O)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000621948594 565451176 /nfs/dbraw/zinc/45/11/76/565451176.db2.gz DVEMNKUZEIFKKV-NWDGAFQWSA-N 1 0 382.302 2.933 20 0 GFADRO O=C(C[NH2+]C[C@H]1CCCO1)Nc1nnc(SCc2ccc(F)cc2)s1 ZINC000644017199 565455051 /nfs/dbraw/zinc/45/50/51/565455051.db2.gz KWBFBHNRAUOKJG-CYBMUJFWSA-N 1 0 382.486 2.677 20 0 GFADRO CC(=O)Nc1ccc(Br)cc1NC(=O)[C@@H]1C[NH2+]CCC1(F)F ZINC000644055587 565455998 /nfs/dbraw/zinc/45/59/98/565455998.db2.gz HLJLFOCFZRADNU-JTQLQIEISA-N 1 0 376.201 2.591 20 0 GFADRO C[C@@H]1CCCN(C(=O)c2cn(-c3ccc(Br)cc3)cn2)[C@@H]1C[NH3+] ZINC000644063625 565456009 /nfs/dbraw/zinc/45/60/09/565456009.db2.gz OENGNKNFOHAFKI-MLGOLLRUSA-N 1 0 377.286 2.834 20 0 GFADRO CC1(C)C[NH2+][C@@H]1C(=O)N1CCC(C(=O)Nc2ccccc2Br)CC1 ZINC000644057372 565456293 /nfs/dbraw/zinc/45/62/93/565456293.db2.gz LMENMVDSXOMCNR-OAHLLOKOSA-N 1 0 394.313 2.624 20 0 GFADRO C[C@@H]1CCCN(C(=O)c2ncc(Br)cc2Br)[C@H]1C[NH3+] ZINC000644063552 565456515 /nfs/dbraw/zinc/45/65/15/565456515.db2.gz HXQJHKYTSDGKCR-KCJUWKMLSA-N 1 0 391.107 2.806 20 0 GFADRO [NH3+][C@@H]1CN(C(=O)Nc2ccc(I)cc2Cl)CC[C@H]1F ZINC000595231771 565456811 /nfs/dbraw/zinc/45/68/11/565456811.db2.gz ICSROPXOBQADDV-NXEZZACHSA-N 1 0 397.619 2.848 20 0 GFADRO [NH3+]CC1(CCNC(=O)Nc2ccc(I)cc2F)CC1 ZINC000595237190 565457115 /nfs/dbraw/zinc/45/71/15/565457115.db2.gz ZZPLFLDCEZWYDP-UHFFFAOYSA-N 1 0 377.201 2.681 20 0 GFADRO CC[C@H](Cc1cccc(Br)c1)C(=O)N1CC[C@H](OC)C[C@@H]1C[NH3+] ZINC000644106054 565459043 /nfs/dbraw/zinc/45/90/43/565459043.db2.gz MMZZZJQOCUBNCD-OIISXLGYSA-N 1 0 383.330 2.983 20 0 GFADRO [NH3+]C1(CC(=O)NCc2cc(Cl)ccc2I)CCC1 ZINC000595255232 565459487 /nfs/dbraw/zinc/45/94/87/565459487.db2.gz BXTJUVAIXUEUPN-UHFFFAOYSA-N 1 0 378.641 2.832 20 0 GFADRO CC[C@H](Cc1cccc(Br)c1)C(=O)N1CC[C@@H](OC)C[C@@H]1C[NH3+] ZINC000644106052 565459468 /nfs/dbraw/zinc/45/94/68/565459468.db2.gz MMZZZJQOCUBNCD-DJIMGWMZSA-N 1 0 383.330 2.983 20 0 GFADRO C[C@H](C[C@H](C)[NH3+])NC(=O)NCc1cc(Cl)ccc1I ZINC000595274514 565459776 /nfs/dbraw/zinc/45/97/76/565459776.db2.gz RWXFBBALZNBFEE-DTWKUNHWSA-N 1 0 395.672 2.870 20 0 GFADRO C[NH2+]C[C@@H](C)NC(=O)N1CCC[C@@H]1c1ccc(I)cc1 ZINC000595275190 565459845 /nfs/dbraw/zinc/45/98/45/565459845.db2.gz IUMGARRXUSTCBU-BXUZGUMPSA-N 1 0 387.265 2.746 20 0 GFADRO Cc1ccc(CCC(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)cc1Cl ZINC000644130877 565460025 /nfs/dbraw/zinc/46/00/25/565460025.db2.gz XGEOUKIEDLREFR-HNNXBMFYSA-N 1 0 377.838 2.533 20 0 GFADRO [NH3+]CC1(C(=O)Nc2nc3cc(I)ccc3[nH]2)CCCC1 ZINC000595259315 565460341 /nfs/dbraw/zinc/46/03/41/565460341.db2.gz KDKOSSMDVSAMQR-UHFFFAOYSA-N 1 0 384.221 2.625 20 0 GFADRO COc1cc2[nH+]ccc(N[C@H]3CC[C@H](C)S(=O)(=O)C3)c2cc1Br ZINC000664360157 565461422 /nfs/dbraw/zinc/46/14/22/565461422.db2.gz RLMFAZIBQINTAU-QWRGUYRKSA-N 1 0 399.310 2.805 20 0 GFADRO C[N@@H+]1C[C@@H]2CCN(S(=O)(=O)c3csc(-c4ccc(Cl)cc4)n3)[C@@H]2C1 ZINC000644299392 565471346 /nfs/dbraw/zinc/47/13/46/565471346.db2.gz JWYLZMJXUVQCTA-GXTWGEPZSA-N 1 0 383.926 2.788 20 0 GFADRO CCC[N@H+](C)CC(C)(C)NC(=O)NCCCCn1cc(Br)cn1 ZINC000664781349 565479024 /nfs/dbraw/zinc/47/90/24/565479024.db2.gz PBURRJPPJBTWBN-UHFFFAOYSA-N 1 0 388.354 2.845 20 0 GFADRO NC(=O)c1cccc(CC[NH2+]C[C@@H](O)COc2ccc(Cl)c(Cl)c2)c1 ZINC000644539486 565480841 /nfs/dbraw/zinc/48/08/41/565480841.db2.gz QMRDPHCWIOHGEL-CQSZACIVSA-N 1 0 383.275 2.664 20 0 GFADRO CC(C)(C)N1C[C@@H]([NH2+]C[C@H](O)COc2cc(Cl)ccc2Cl)CC1=O ZINC000644581919 565483101 /nfs/dbraw/zinc/48/31/01/565483101.db2.gz XPDZBQNWFWYFAW-STQMWFEESA-N 1 0 375.296 2.722 20 0 GFADRO Cc1sc(C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)cc1Br ZINC000644635826 565486572 /nfs/dbraw/zinc/48/65/72/565486572.db2.gz CQQTWAWNSLXBJD-LBPRGKRZSA-N 1 0 386.359 2.717 20 0 GFADRO CC[C@H]1C[C@@H]([NH2+]CCS(=O)(=O)c2cccc(Br)c2)CCO1 ZINC000644674323 565488897 /nfs/dbraw/zinc/48/88/97/565488897.db2.gz QLBCZCMGAOCXKL-KBPBESRZSA-N 1 0 376.316 2.770 20 0 GFADRO COc1cccc2c1C[C@@H]([NH2+]C[C@@H](O)COc1ccc(Br)cc1)C2 ZINC000644668779 565489042 /nfs/dbraw/zinc/48/90/42/565489042.db2.gz JLEWVEAUDGEIDG-JKSUJKDBSA-N 1 0 392.293 2.954 20 0 GFADRO CN(CCC[NH+](C)C)CCNC(=O)NC/C=C/c1ccc(Br)cc1 ZINC000664998130 565489098 /nfs/dbraw/zinc/48/90/98/565489098.db2.gz BWABLUKIYOOPNV-GQCTYLIASA-N 1 0 397.361 2.645 20 0 GFADRO Cc1cc(NC(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)ccc1Br ZINC000665155609 565491275 /nfs/dbraw/zinc/49/12/75/565491275.db2.gz QJTVQBDJWHZMID-OAHLLOKOSA-N 1 0 382.302 2.820 20 0 GFADRO Cc1c(C(=O)NC[C@@H](C)C[NH+](C)C)cnn1-c1cccc(Br)c1 ZINC000644810256 565494845 /nfs/dbraw/zinc/49/48/45/565494845.db2.gz YDDPKUGLQZRERQ-GFCCVEGCSA-N 1 0 379.302 2.871 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C(=O)N1CC[C@@H]2C[N@@H+](C)C[C@@H]21 ZINC000644811351 565495091 /nfs/dbraw/zinc/49/50/91/565495091.db2.gz ABLFUNSHKANWNR-DYVFJYSZSA-N 1 0 389.297 2.719 20 0 GFADRO Ic1ccc([C@@H]2CCCN2C[C@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000595884382 565496418 /nfs/dbraw/zinc/49/64/18/565496418.db2.gz FDXGOXHJSQCNDT-CVEARBPZSA-N 1 0 398.288 2.949 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H]1C(=O)NCc1cc(Cl)ccc1I ZINC000595936526 565499896 /nfs/dbraw/zinc/49/98/96/565499896.db2.gz BMCHPQLKPUZABQ-CMPLNLGQSA-N 1 0 378.641 2.688 20 0 GFADRO COC(=O)CC[C@@H]([NH3+])C(=O)N[C@@H]1CCCCc2cc(Br)ccc21 ZINC000595947852 565500945 /nfs/dbraw/zinc/50/09/45/565500945.db2.gz INMDCQPRGSJVRU-HUUCEWRRSA-N 1 0 383.286 2.613 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCO[C@H]1c1cncc(Br)c1 ZINC000665529460 565502690 /nfs/dbraw/zinc/50/26/90/565502690.db2.gz KXXYJGIZQPGVAC-XHSDSOJGSA-N 1 0 382.302 2.522 20 0 GFADRO CC[NH+]1CCC(NC(=O)[C@@H]2CCO[C@H]2c2cncc(Br)c2)CC1 ZINC000665530780 565504299 /nfs/dbraw/zinc/50/42/99/565504299.db2.gz BGCNJNGSVXJTNW-CVEARBPZSA-N 1 0 382.302 2.522 20 0 GFADRO COC(=O)c1sc2c(c1Br)CN(C(=O)c1ccc(C[NH3+])o1)C2 ZINC000596000748 565504696 /nfs/dbraw/zinc/50/46/96/565504696.db2.gz OKIJZBAKHHXJIQ-UHFFFAOYSA-N 1 0 385.239 2.505 20 0 GFADRO COC(=O)c1sc2c(c1Br)CN(C(=O)[C@@H]1C[C@@H](C)CC[NH2+]1)C2 ZINC000595994759 565504744 /nfs/dbraw/zinc/50/47/44/565504744.db2.gz IYDMRHHKJFFIKN-WPRPVWTQSA-N 1 0 387.299 2.528 20 0 GFADRO O=C(Nc1ccc(F)cc1Br)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000665598473 565505004 /nfs/dbraw/zinc/50/50/04/565505004.db2.gz GGHRZWVMCLJSSB-ZDUSSCGKSA-N 1 0 386.265 2.651 20 0 GFADRO C[C@@H](NC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)c1ncc(Br)cn1 ZINC000644969368 565506147 /nfs/dbraw/zinc/50/61/47/565506147.db2.gz RFNSILDDAQDWPB-DOMZBBRYSA-N 1 0 392.301 2.902 20 0 GFADRO Cc1nc2sccn2c(=O)c1CC[NH2+][C@@H](C)c1ncc(Br)cn1 ZINC000645017334 565507975 /nfs/dbraw/zinc/50/79/75/565507975.db2.gz HZYZNNAAWMSOEI-JTQLQIEISA-N 1 0 394.298 2.510 20 0 GFADRO Clc1cc(Cl)c(OCCN2CCOCC2)c(C[NH2+][C@@H]2CCCOC2)c1 ZINC000623408492 565509219 /nfs/dbraw/zinc/50/92/19/565509219.db2.gz XYMQADCIVOKRHV-MRXNPFEDSA-N 1 0 389.323 2.973 20 0 GFADRO CCc1nc(C(=O)N[C@@H]2CCC[N@H+](C)C2)nn1-c1c(Cl)cccc1Cl ZINC000623479819 565512804 /nfs/dbraw/zinc/51/28/04/565512804.db2.gz QWLFRQFAMWHYRV-LLVKDONJSA-N 1 0 382.295 2.961 20 0 GFADRO COc1ccc(Br)c(NC(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)c1 ZINC000665920156 565515808 /nfs/dbraw/zinc/51/58/08/565515808.db2.gz BUYKNKKZSOLDAC-ZDUSSCGKSA-N 1 0 398.301 2.521 20 0 GFADRO C[C@@H](O)CCC[NH2+]Cc1cc(Cl)cc(Cl)c1OCCN1CCOCC1 ZINC000623510471 565516026 /nfs/dbraw/zinc/51/60/26/565516026.db2.gz ZJMYCTNVAGRIRG-CQSZACIVSA-N 1 0 391.339 2.955 20 0 GFADRO Cc1cc(C[NH2+]C2CCC(CS(C)(=O)=O)CC2)ncc1Br ZINC000623535438 565517171 /nfs/dbraw/zinc/51/71/71/565517171.db2.gz ZSYXJEGKGQCYNL-UHFFFAOYSA-N 1 0 375.332 2.846 20 0 GFADRO Cn1nnc2c1CC[C@@H]([NH2+]Cc1c[nH]nc1-c1ccc(Br)s1)C2 ZINC000623561078 565517661 /nfs/dbraw/zinc/51/76/61/565517661.db2.gz ADBYAZDZIQZTRG-SNVBAGLBSA-N 1 0 393.314 2.676 20 0 GFADRO Cc1nn(-c2ccccc2Br)cc1C[NH2+]C[C@@H](O)[C@@H]1CCCO1 ZINC000623620256 565521788 /nfs/dbraw/zinc/52/17/88/565521788.db2.gz LCLFFLIROUHDMK-SJORKVTESA-N 1 0 380.286 2.573 20 0 GFADRO O=S1(=O)CCCN1CCC[NH2+][C@@H]1CCc2sc(Br)cc21 ZINC000645421050 565525005 /nfs/dbraw/zinc/52/50/05/565525005.db2.gz JBLPBUFFTPWERR-LLVKDONJSA-N 1 0 379.345 2.513 20 0 GFADRO Cc1ccc(Br)c(C)c1C(=O)NCCCN1CCC[N@@H+](C)CC1 ZINC000645425849 565525064 /nfs/dbraw/zinc/52/50/64/565525064.db2.gz DIYHKGKCIFJKDI-UHFFFAOYSA-N 1 0 382.346 2.823 20 0 GFADRO Cc1cc(Br)ccc1C(=O)N1CCC([NH2+]C[C@H]2C[C@@H](O)C2)CC1 ZINC000623748899 565528820 /nfs/dbraw/zinc/52/88/20/565528820.db2.gz NAFPWJPGJLNXMW-AKAXFMLLSA-N 1 0 381.314 2.723 20 0 GFADRO CS(=O)(=O)c1ccc(C[NH2+][C@H](Cc2ccccc2)[C@H](O)C(F)(F)F)s1 ZINC000666275491 565529376 /nfs/dbraw/zinc/52/93/76/565529376.db2.gz YPTIAJLWXCQYKO-HIFRSBDPSA-N 1 0 393.452 2.776 20 0 GFADRO C[N@@H+]1CCCC[C@H](CNC(=O)NCCOc2ncc(Cl)cc2Cl)C1 ZINC000623766622 565529495 /nfs/dbraw/zinc/52/94/95/565529495.db2.gz JIKOPHNHDZCAMR-GFCCVEGCSA-N 1 0 375.300 2.798 20 0 GFADRO Fc1ccc(Br)cc1C[NH2+]C[C@H]1CN(Cc2ccncc2)CCO1 ZINC000623780200 565529622 /nfs/dbraw/zinc/52/96/22/565529622.db2.gz CVDXRCUCDIVERV-KRWDZBQOSA-N 1 0 394.288 2.974 20 0 GFADRO Fc1ccc(C[NH2+]C[C@@H]2CN(Cc3ccncc3)CCO2)c(Br)c1 ZINC000623781683 565530363 /nfs/dbraw/zinc/53/03/63/565530363.db2.gz YBHLMGVJZDSKKV-QGZVFWFLSA-N 1 0 394.288 2.974 20 0 GFADRO CO[C@H]1C[C@H]([NH2+]Cc2cc(Cl)cc(Cl)c2OCCN2CCOCC2)C1 ZINC000623809213 565531441 /nfs/dbraw/zinc/53/14/41/565531441.db2.gz VYPXWLGOMIZPBE-WKILWMFISA-N 1 0 389.323 2.971 20 0 GFADRO O=S(=O)(CCC[C@H]1CCOC1)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000645504359 565532698 /nfs/dbraw/zinc/53/26/98/565532698.db2.gz KVOKSBCTZIWBMV-KRWDZBQOSA-N 1 0 386.583 2.696 20 0 GFADRO COCC[N@H+](C)CCCNC(=O)c1cc(-c2ccc(Br)cc2)no1 ZINC000666342987 565532648 /nfs/dbraw/zinc/53/26/48/565532648.db2.gz UUQONVSJVJDEFO-UHFFFAOYSA-N 1 0 396.285 2.802 20 0 GFADRO COCC[N@H+](C)CCCNC(=O)Cc1c(Cl)cccc1Br ZINC000666342623 565532977 /nfs/dbraw/zinc/53/29/77/565532977.db2.gz PBLIDJZNAAGRHV-UHFFFAOYSA-N 1 0 377.710 2.730 20 0 GFADRO CCCOc1c(Cl)cc(C[NH2+]CCCN2CCCS2(=O)=O)cc1OC ZINC000596676401 565532974 /nfs/dbraw/zinc/53/29/74/565532974.db2.gz ATQLTLVXLMLRLC-UHFFFAOYSA-N 1 0 390.933 2.653 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1cc(Br)cc2[nH]c(=O)[nH]c21 ZINC000666426843 565536701 /nfs/dbraw/zinc/53/67/01/565536701.db2.gz JPTUKKPMJQILBD-SNVBAGLBSA-N 1 0 381.274 2.635 20 0 GFADRO C[C@H](CNC(=O)C(=O)Nc1ccccc1SCC(F)(F)F)C[NH+](C)C ZINC000645560808 565538331 /nfs/dbraw/zinc/53/83/31/565538331.db2.gz UPSHFGGTNANFSH-LLVKDONJSA-N 1 0 377.432 2.593 20 0 GFADRO CC[C@@H](CNS(C)(=O)=O)[NH2+][C@H](C)c1cc(F)c(Br)cc1F ZINC000623993475 565538443 /nfs/dbraw/zinc/53/84/43/565538443.db2.gz TYVTZOBFFJCENK-BDAKNGLRSA-N 1 0 385.274 2.706 20 0 GFADRO Cc1cccc2c1C[C@@H]([NH2+][C@@H](C)Cn1cc(Br)ccc1=O)CO2 ZINC000624070753 565541479 /nfs/dbraw/zinc/54/14/79/565541479.db2.gz PAVTVADPJYXIJR-DZGCQCFKSA-N 1 0 377.282 2.901 20 0 GFADRO Cc1cccc2cc(S(=O)(=O)NCC3(O)CC[NH+](C(C)C)CC3)sc21 ZINC000645605012 565543760 /nfs/dbraw/zinc/54/37/60/565543760.db2.gz POGKMHCUOKUXKF-UHFFFAOYSA-N 1 0 382.551 2.723 20 0 GFADRO C[NH+](C)C[C@H]1CCCN1S(=O)(=O)c1cc(Cl)ccc1OC(F)(F)F ZINC000645604425 565543857 /nfs/dbraw/zinc/54/38/57/565543857.db2.gz NOGRRHIRYNEQIE-LLVKDONJSA-N 1 0 386.823 2.953 20 0 GFADRO C[C@@H]([NH2+][C@H]1CCN(c2ccc3nncn3n2)C1)c1cc(Br)cs1 ZINC000624115963 565543986 /nfs/dbraw/zinc/54/39/86/565543986.db2.gz GFYHRRFKSPJVPL-PWSUYJOCSA-N 1 0 393.314 2.878 20 0 GFADRO C[C@H]([NH2+][C@H]1CCN(c2ccc3nncn3n2)C1)c1ccc(Br)cc1 ZINC000624113461 565544307 /nfs/dbraw/zinc/54/43/07/565544307.db2.gz GLAMVBSVKPEORK-WFASDCNBSA-N 1 0 387.285 2.816 20 0 GFADRO CC[N@@H+]1CCCN(C(=O)Nc2ccc(I)cc2F)CC1 ZINC000597018547 565546538 /nfs/dbraw/zinc/54/65/38/565546538.db2.gz PWNWTTRBUKHVQR-UHFFFAOYSA-N 1 0 391.228 2.990 20 0 GFADRO O[C@@H]1CCN(CC[NH2+][C@H]2CCCc3c4cc(Br)ccc4[nH]c32)C1 ZINC000624231289 565548934 /nfs/dbraw/zinc/54/89/34/565548934.db2.gz VSBJCLYJDLCCRQ-DYVFJYSZSA-N 1 0 378.314 2.964 20 0 GFADRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)N2CCc3cc(F)cc(Br)c3C2)C1 ZINC000624306944 565551307 /nfs/dbraw/zinc/55/13/07/565551307.db2.gz UTIOYUUMGGCYCO-VDISTLRHSA-N 1 0 384.293 2.996 20 0 GFADRO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)Nc1cn(C)cc(Br)c1=O ZINC000666697111 565551639 /nfs/dbraw/zinc/55/16/39/565551639.db2.gz TZHWPPQYLAKWES-ZDUSSCGKSA-N 1 0 399.333 2.780 20 0 GFADRO [NH3+]C[C@@H](Cc1ccccc1)[C@@H]1CCCCN1S(=O)(=O)CCC(F)(F)F ZINC000624362070 565552291 /nfs/dbraw/zinc/55/22/91/565552291.db2.gz GEDGKOMWLKJKIQ-CVEARBPZSA-N 1 0 378.460 2.941 20 0 GFADRO C[C@@H]1CN(S(=O)(=O)c2ncccc2C(F)(F)F)CC[N@@H+](C2CCC2)C1 ZINC000645725899 565556208 /nfs/dbraw/zinc/55/62/08/565556208.db2.gz GVCYNHQPEFOWER-LBPRGKRZSA-N 1 0 377.432 2.595 20 0 GFADRO COc1ccc(CCC(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)c(Br)c1 ZINC000666915062 565561999 /nfs/dbraw/zinc/56/19/99/565561999.db2.gz QMISVSMKKDYYEM-ZDUSSCGKSA-N 1 0 381.314 2.991 20 0 GFADRO CN(C(=O)Nc1ccc(Cl)c(C(=O)NCc2cccs2)c1)C1C[NH2+]C1 ZINC000667184827 565574549 /nfs/dbraw/zinc/57/45/49/565574549.db2.gz MPDFHZGRHOQQJC-UHFFFAOYSA-N 1 0 378.885 2.767 20 0 GFADRO Cc1nn(C)c(NC(=O)NC/C=C/C[NH3+])c1-c1ccc(Br)cc1 ZINC000667287242 565580162 /nfs/dbraw/zinc/58/01/62/565580162.db2.gz XNSHEXDQLQXSTB-ONEGZZNKSA-N 1 0 378.274 2.794 20 0 GFADRO COc1cc(NC(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)cc(OC)c1Br ZINC000667324483 565581231 /nfs/dbraw/zinc/58/12/31/565581231.db2.gz OJZSZVMDXAPVGW-ZYHUDNBSSA-N 1 0 384.274 2.682 20 0 GFADRO CO[C@@H](C(=O)Nc1cc(Br)ccc1N1CC[NH+](C)CC1)C1CCC1 ZINC000667350553 565582381 /nfs/dbraw/zinc/58/23/81/565582381.db2.gz LGSUYFRYIJUDCY-QGZVFWFLSA-N 1 0 396.329 2.955 20 0 GFADRO C[NH+]1CCC2(CC1)CN(Cc1nc3cc(Br)ccc3o1)CCO2 ZINC000646106769 565586516 /nfs/dbraw/zinc/58/65/16/565586516.db2.gz RRSNNJWDICKMIR-UHFFFAOYSA-N 1 0 380.286 2.887 20 0 GFADRO CS(=O)(=O)c1cc(NC(=O)N2CCC3(CC[NH2+]CC3)CC2)ccc1Cl ZINC000667463792 565587418 /nfs/dbraw/zinc/58/74/18/565587418.db2.gz CYACBTYQQQQNQR-UHFFFAOYSA-N 1 0 385.917 2.741 20 0 GFADRO O=C(CCCCc1ccc(Br)cc1)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000646121389 565588201 /nfs/dbraw/zinc/58/82/01/565588201.db2.gz FUYTWMWCCLFOEB-GOSISDBHSA-N 1 0 394.357 2.668 20 0 GFADRO COCCN(Cc1sccc1Br)C(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000646214903 565590185 /nfs/dbraw/zinc/59/01/85/565590185.db2.gz XKXSXLKZVAUHFR-WDEREUQCSA-N 1 0 378.336 2.794 20 0 GFADRO COCCN(Cc1sccc1Br)C(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000646214902 565590287 /nfs/dbraw/zinc/59/02/87/565590287.db2.gz XKXSXLKZVAUHFR-QWRGUYRKSA-N 1 0 378.336 2.794 20 0 GFADRO CS(=O)(=O)C[C@@H]1CCCN(Cc2cnn(Cc3ccccc3Cl)c2)C1 ZINC000646214124 565590340 /nfs/dbraw/zinc/59/03/40/565590340.db2.gz HTBINZKPBQUNHW-OAHLLOKOSA-N 1 0 381.929 2.841 20 0 GFADRO CC[NH+](CC)CCO[C@H]1CCN(S(=O)(=O)CC(C)(C)C(F)(F)CC)C1 ZINC000625039990 565591577 /nfs/dbraw/zinc/59/15/77/565591577.db2.gz QFOLWZDSALIAJB-HNNXBMFYSA-N 1 0 384.533 2.820 20 0 GFADRO CC(C)[NH+](CCCNS(=O)(=O)c1cccnc1OCC(F)F)C(C)C ZINC000625040462 565591755 /nfs/dbraw/zinc/59/17/55/565591755.db2.gz ZJTXKOZQKKBHTL-UHFFFAOYSA-N 1 0 379.473 2.513 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)Nc2ccnn2-c2ccc(Br)cn2)C1 ZINC000667517426 565592464 /nfs/dbraw/zinc/59/24/64/565592464.db2.gz IBZSBGIJTKYISW-NWDGAFQWSA-N 1 0 393.289 2.621 20 0 GFADRO CC[C@H]1CN(C(=O)C(=O)Nc2ccc(Br)cc2Cl)CC[C@H]1[NH3+] ZINC000667552060 565594520 /nfs/dbraw/zinc/59/45/20/565594520.db2.gz MHAKXNGAWWBXRC-JOYOIKCWSA-N 1 0 388.693 2.627 20 0 GFADRO CC[C@H]1CN(C(=O)C(=O)Nc2c(C)cc(C)cc2Br)CC[C@H]1[NH3+] ZINC000667548722 565594641 /nfs/dbraw/zinc/59/46/41/565594641.db2.gz SXVICKHCXVKXKW-GXTWGEPZSA-N 1 0 382.302 2.590 20 0 GFADRO CC(C)c1n[nH]c(C(=O)N2CCC([N@@H+]3CCOC[C@H]3C)CC2)c1Br ZINC000646314728 565596849 /nfs/dbraw/zinc/59/68/49/565596849.db2.gz NFBHSEQFKYXQFF-GFCCVEGCSA-N 1 0 399.333 2.621 20 0 GFADRO COc1ccc(Br)cc1C(=O)CCC(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000646338428 565597964 /nfs/dbraw/zinc/59/79/64/565597964.db2.gz MEGJAKCKTIONCM-IUODEOHRSA-N 1 0 395.297 2.631 20 0 GFADRO O=C(NC[C@@H]1CCCC[NH2+]1)Nc1ccn(-c2ccc(Br)cc2)n1 ZINC000667639563 565598217 /nfs/dbraw/zinc/59/82/17/565598217.db2.gz PMNPRDSASKKJQI-ZDUSSCGKSA-N 1 0 378.274 2.898 20 0 GFADRO COCC[N@@H+]1CC[C@@H](NC(=O)Nc2ccc(-c3ccc(Cl)s3)nn2)C1 ZINC000667681906 565600457 /nfs/dbraw/zinc/60/04/57/565600457.db2.gz UYAFFGBKYVKETG-LLVKDONJSA-N 1 0 381.889 2.701 20 0 GFADRO O=C(NCc1cc(F)cc(Br)c1)Nc1cnc2c(c1)C[NH2+]CC2 ZINC000667793733 565606023 /nfs/dbraw/zinc/60/60/23/565606023.db2.gz LCVDIASZMVJSAT-UHFFFAOYSA-N 1 0 379.233 2.951 20 0 GFADRO CC(C)[NH+](CCNC(=O)c1cc(Br)cc2[nH]c(=O)[nH]c21)C(C)C ZINC000646568267 565609166 /nfs/dbraw/zinc/60/91/66/565609166.db2.gz OGVMOGABIBYZEU-UHFFFAOYSA-N 1 0 383.290 2.880 20 0 GFADRO CCC[N@@H+]1CC[C@H](NC(=O)c2ccc(I)cc2F)C1 ZINC000598343917 565611098 /nfs/dbraw/zinc/61/10/98/565611098.db2.gz YJRPWTUQKOEKET-NSHDSACASA-N 1 0 376.213 2.644 20 0 GFADRO O=C(Nc1cccc(Br)c1F)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000667924690 565615024 /nfs/dbraw/zinc/61/50/24/565615024.db2.gz YHZURAXLKRVXQV-KGLIPLIRSA-N 1 0 386.265 2.651 20 0 GFADRO CCCN(CC(F)(F)F)C(=O)C[NH2+][C@@H](CO)c1ccc(Br)cc1 ZINC000625320439 565619066 /nfs/dbraw/zinc/61/90/66/565619066.db2.gz NBWPVPYNBUGXOY-ZDUSSCGKSA-N 1 0 397.235 2.873 20 0 GFADRO O=C(c1cc(Br)cc2c1OCCO2)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000668009013 565619157 /nfs/dbraw/zinc/61/91/57/565619157.db2.gz KOQDEZVAGHLKNH-CYBMUJFWSA-N 1 0 381.270 2.531 20 0 GFADRO COc1cc(NC(=O)NC[C@@]2([NH+](C)C)CCSC2)ccc1OC(F)F ZINC000668053345 565625427 /nfs/dbraw/zinc/62/54/27/565625427.db2.gz RFMJNOYZRWXIIF-INIZCTEOSA-N 1 0 375.441 2.855 20 0 GFADRO Cc1c(Br)cccc1S(=O)(=O)NC[C@H]1CCCC[N@@H+](C)C1 ZINC000625420346 565628121 /nfs/dbraw/zinc/62/81/21/565628121.db2.gz DJYIKUDEBQQOJM-CYBMUJFWSA-N 1 0 375.332 2.768 20 0 GFADRO Cc1cc(S(=O)(=O)NC[C@@H]2CCCC[N@@H+](C)C2)sc1Br ZINC000625419909 565628347 /nfs/dbraw/zinc/62/83/47/565628347.db2.gz ATRNFHMIYJPFKK-NSHDSACASA-N 1 0 381.361 2.829 20 0 GFADRO C[N@@H+]1CCCC[C@H](CNS(=O)(=O)c2ccc(F)cc2Br)C1 ZINC000625422681 565629142 /nfs/dbraw/zinc/62/91/42/565629142.db2.gz SCQJRIMMQYXITC-LLVKDONJSA-N 1 0 379.295 2.598 20 0 GFADRO CC(C)[C@H](NC(=O)c1ccccc1Br)C(=O)N1CCC(C)([NH3+])CC1 ZINC000646994519 565631108 /nfs/dbraw/zinc/63/11/08/565631108.db2.gz LFZNEJUGOOUIER-HNNXBMFYSA-N 1 0 396.329 2.543 20 0 GFADRO O=C(N[C@H]1CCC[NH2+]CC1)[C@H](c1ccc(Cl)cc1Cl)N1CCOCC1 ZINC000646987679 565631121 /nfs/dbraw/zinc/63/11/21/565631121.db2.gz IXEQQLQWYVWQPF-YOEHRIQHSA-N 1 0 386.323 2.625 20 0 GFADRO COC(=O)[C@@H](NC(=O)CC[C@@H]1CCC[NH2+]C1)c1ccc(Br)cc1 ZINC000598663257 565632629 /nfs/dbraw/zinc/63/26/29/565632629.db2.gz BVJOEGAEUKKNTJ-LRDDRELGSA-N 1 0 383.286 2.559 20 0 GFADRO O=C(Nc1ccc(OC(F)(F)F)cc1Cl)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000668242596 565634523 /nfs/dbraw/zinc/63/45/23/565634523.db2.gz DWBFKFBWVRVVKS-VHSXEESVSA-N 1 0 379.766 2.521 20 0 GFADRO O=C1Nc2ccc(Br)cc2CC[C@H]1N1CCO[C@]2(CCSC2)C1 ZINC000625506687 565635243 /nfs/dbraw/zinc/63/52/43/565635243.db2.gz OGYQTHAXBJDUQY-NVXWUHKLSA-N 1 0 397.338 2.910 20 0 GFADRO [NH3+]CC[C@H](NC(=O)[C@@H](c1ccc(Br)cc1)N1CCCC1)C(F)F ZINC000647071348 565635339 /nfs/dbraw/zinc/63/53/39/565635339.db2.gz NZEIKTBKXSJNPD-UONOGXRCSA-N 1 0 390.272 2.685 20 0 GFADRO CC[C@H](C)[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N[C@H](CC[NH3+])C(F)F ZINC000647070433 565635531 /nfs/dbraw/zinc/63/55/31/565635531.db2.gz GREDEOQRFLYIBO-GDLCADMTSA-N 1 0 375.847 2.583 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)c2ccc(Br)c(Cl)c2)CC12CCOCC2 ZINC000647078607 565635703 /nfs/dbraw/zinc/63/57/03/565635703.db2.gz IORNCDDPHLUGFS-GFCCVEGCSA-N 1 0 387.705 2.930 20 0 GFADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)Nc1ccc(OC(F)(F)F)cc1Cl ZINC000668246807 565635777 /nfs/dbraw/zinc/63/57/77/565635777.db2.gz PTEGCLQOZWSARI-SNVBAGLBSA-N 1 0 380.798 2.606 20 0 GFADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)c1cc2cc(Br)sc2[nH]1 ZINC000668262644 565635876 /nfs/dbraw/zinc/63/58/76/565635876.db2.gz WUKMQLUWVPGDQG-NSHDSACASA-N 1 0 386.315 2.833 20 0 GFADRO O=C(NCCCC[NH+]1CCN(c2ncccn2)CC1)c1ccsc1Cl ZINC000668249466 565635897 /nfs/dbraw/zinc/63/58/97/565635897.db2.gz RLLXEAGUPWFNLX-UHFFFAOYSA-N 1 0 379.917 2.524 20 0 GFADRO [NH3+][C@@H]1CCO[C@H](C2CCN(C(=O)c3ccc(Br)c(O)c3)CC2)C1 ZINC000647089797 565636666 /nfs/dbraw/zinc/63/66/66/565636666.db2.gz SOBBJKHOZUGHKI-CJNGLKHVSA-N 1 0 383.286 2.513 20 0 GFADRO Brc1ccc2[nH]c(CN3CCC([NH+]4CCOCC4)CC3)nc2c1 ZINC000625546761 565637984 /nfs/dbraw/zinc/63/79/84/565637984.db2.gz SHANBBBBZYJTAG-UHFFFAOYSA-N 1 0 379.302 2.622 20 0 GFADRO CC(C)C[C@@H]([NH3+])c1noc(Cn2cnc3ccc(Br)cc3c2=O)n1 ZINC000647131561 565640017 /nfs/dbraw/zinc/64/00/17/565640017.db2.gz GRYJPQCRONZHIS-GFCCVEGCSA-N 1 0 392.257 2.636 20 0 GFADRO C[C@@H](CNC(=O)c1cc(C(F)(F)F)ccc1Cl)C[NH+]1CCN(C)CC1 ZINC000625564877 565640185 /nfs/dbraw/zinc/64/01/85/565640185.db2.gz YOMIIFYDIGHLTQ-LBPRGKRZSA-N 1 0 377.838 2.972 20 0 GFADRO O=C(NCCc1nc([C@H]2CCC[NH2+]2)no1)Nc1ccc(Br)cc1 ZINC000647153070 565641831 /nfs/dbraw/zinc/64/18/31/565641831.db2.gz SHFWBHKGUGTKEK-GFCCVEGCSA-N 1 0 380.246 2.621 20 0 GFADRO COc1ccccc1[C@@H]([NH3+])CNS(=O)(=O)c1cccc(C)c1Br ZINC000647187787 565643939 /nfs/dbraw/zinc/64/39/39/565643939.db2.gz WWLXLQDHZDCRBS-ZDUSSCGKSA-N 1 0 399.310 2.744 20 0 GFADRO C[C@@H]([NH2+]Cc1cc(OC(F)F)ccc1Br)[C@H]1CN(C)CCO1 ZINC000647193498 565645304 /nfs/dbraw/zinc/64/53/04/565645304.db2.gz CCDJZFFERVDODJ-QMTHXVAHSA-N 1 0 379.245 2.859 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+]CC[C@@H]2CSc3ccccc3O2)c(F)c1 ZINC000647228329 565646633 /nfs/dbraw/zinc/64/66/33/565646633.db2.gz UOEQYAYYLCMZGY-CYBMUJFWSA-N 1 0 382.482 2.506 20 0 GFADRO OCCN1CCCC[C@@H]1C[NH2+]Cc1cc(OC(F)F)ccc1Br ZINC000647214385 565646896 /nfs/dbraw/zinc/64/68/96/565646896.db2.gz YJQYCAJHZWBIAO-CYBMUJFWSA-N 1 0 393.272 2.987 20 0 GFADRO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)NCc1cccc(Cl)c1Cl ZINC000668454777 565647380 /nfs/dbraw/zinc/64/73/80/565647380.db2.gz GQBZVTCMYMVPBD-CYBMUJFWSA-N 1 0 386.323 2.846 20 0 GFADRO Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N1CCC(OCCC[NH3+])CC1 ZINC000647232526 565647493 /nfs/dbraw/zinc/64/74/93/565647493.db2.gz JENVVMPLRCXZBM-UHFFFAOYSA-N 1 0 380.432 2.532 20 0 GFADRO COc1cc(Cl)c(S(=O)(=O)N2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc1OC ZINC000647237965 565648400 /nfs/dbraw/zinc/64/84/00/565648400.db2.gz BDNNEBRXWUJICY-GXTWGEPZSA-N 1 0 388.917 2.510 20 0 GFADRO O=S(=O)(c1cccc(Br)c1F)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647238780 565648637 /nfs/dbraw/zinc/64/86/37/565648637.db2.gz UWMCJKXQMZCXMD-AAEUAGOBSA-N 1 0 391.306 2.741 20 0 GFADRO C[C@H]1C[NH+](CCOc2ccc(S(=O)(=O)N(C)C)cc2)C[C@H](C)C1(F)F ZINC000625645980 565649620 /nfs/dbraw/zinc/64/96/20/565649620.db2.gz PHXPWUAPONFBJT-KBPBESRZSA-N 1 0 376.469 2.539 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+][C@H]1CCS[C@H]1C ZINC000647259249 565649807 /nfs/dbraw/zinc/64/98/07/565649807.db2.gz XKWMVVSGNBKYNG-MJVIPROJSA-N 1 0 387.343 2.946 20 0 GFADRO CO[C@@H](CS(=O)(=O)Nc1cc(Cl)ccc1N1CC[NH+](C)CC1)C(C)C ZINC000647266342 565650299 /nfs/dbraw/zinc/65/02/99/565650299.db2.gz RFCIEXYSLJQTRZ-KRWDZBQOSA-N 1 0 389.949 2.505 20 0 GFADRO O=S(=O)(Cc1ccc(Br)cc1Cl)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000647264728 565650686 /nfs/dbraw/zinc/65/06/86/565650686.db2.gz PBEDKNQTMMHNFT-HZMBPMFUSA-N 1 0 393.734 2.616 20 0 GFADRO CC[C@H]1CN(S(=O)(=O)c2cc(Br)c(C)cc2OC)CC[C@H]1[NH3+] ZINC000647269710 565651919 /nfs/dbraw/zinc/65/19/19/565651919.db2.gz YKZDBSLUMQIYTF-WCQYABFASA-N 1 0 391.331 2.514 20 0 GFADRO O=C1CC[C@H]2C[N@H+](CC3=Cc4cc(Br)ccc4OC3)CC[C@@H]2N1 ZINC000668540824 565653513 /nfs/dbraw/zinc/65/35/13/565653513.db2.gz HGLVBXOYMYVRGU-BBRMVZONSA-N 1 0 377.282 2.825 20 0 GFADRO COC(=O)CC1CCC([NH2+]CCNC(=O)c2cccc(Br)c2)CC1 ZINC000599035878 565653903 /nfs/dbraw/zinc/65/39/03/565653903.db2.gz OUFOSJSMNKSIOJ-UHFFFAOYSA-N 1 0 397.313 2.890 20 0 GFADRO C[C@]1(C[NH3+])CCN(S(=O)(=O)Cc2ccc(Br)cc2Cl)C1 ZINC000647291109 565655354 /nfs/dbraw/zinc/65/53/54/565655354.db2.gz GDFODBBYWVRIMQ-CYBMUJFWSA-N 1 0 381.723 2.603 20 0 GFADRO O=S(=O)(Cc1ccc(Br)cc1Cl)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000647304748 565655813 /nfs/dbraw/zinc/65/58/13/565655813.db2.gz CXKPZDNOXOHXIW-HZMBPMFUSA-N 1 0 393.734 2.616 20 0 GFADRO COc1cc(CN(C)Cc2cn(C)nn2)cc(Br)c1OC(F)F ZINC000668605276 565656609 /nfs/dbraw/zinc/65/66/09/565656609.db2.gz JEVOKZWDGNGFQU-UHFFFAOYSA-N 1 0 391.216 2.820 20 0 GFADRO COC(=O)CCNC(=O)CC[NH2+][C@H](c1ccc(Br)cc1)C1CC1 ZINC000599088050 565656841 /nfs/dbraw/zinc/65/68/41/565656841.db2.gz IKPGHMUHBFWFLS-KRWDZBQOSA-N 1 0 383.286 2.559 20 0 GFADRO COc1ccc(S(=O)(=O)N2CCC([NH2+]C[C@H](C)CC(F)F)CC2)cc1 ZINC000647319268 565657029 /nfs/dbraw/zinc/65/70/29/565657029.db2.gz UGTNUUVRWGXZTF-CYBMUJFWSA-N 1 0 376.469 2.729 20 0 GFADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@H](CCO)c1ccccc1F ZINC000647344919 565658009 /nfs/dbraw/zinc/65/80/09/565658009.db2.gz BJWOAZBZZIJTHG-MLGOLLRUSA-N 1 0 383.261 2.852 20 0 GFADRO CN(Cc1cc(Br)cs1)C(=O)C[NH2+][C@@](C)(CO)c1ccccc1 ZINC000599173763 565659742 /nfs/dbraw/zinc/65/97/42/565659742.db2.gz XNJMXTCSYIBPOT-KRWDZBQOSA-N 1 0 397.338 2.966 20 0 GFADRO Cc1c(Br)cc(CN2CCC(CO)(CO)C2)cc1Br ZINC000668665078 565659924 /nfs/dbraw/zinc/65/99/24/565659924.db2.gz CBSGOWIBBYHACL-UHFFFAOYSA-N 1 0 393.119 2.697 20 0 GFADRO COc1ccncc1C[NH2+][C@@]1(CO)CCc2cc(Br)ccc2C1 ZINC000625796071 565660477 /nfs/dbraw/zinc/66/04/77/565660477.db2.gz DVFGWXBQWVUKND-SFHVURJKSA-N 1 0 377.282 2.862 20 0 GFADRO O=C1CCCN1C[C@H]1CC[N@@H+](Cc2cc(Br)cc3c2OCC3)C1 ZINC000668715253 565662398 /nfs/dbraw/zinc/66/23/98/565662398.db2.gz IKUXOAPZYTZHTL-ZDUSSCGKSA-N 1 0 379.298 2.828 20 0 GFADRO C[C@H]1CC[C@@H](NC(=O)Nc2cc(Br)ccc2-n2cccn2)C[NH2+]1 ZINC000625860204 565663200 /nfs/dbraw/zinc/66/32/00/565663200.db2.gz SBBILCPMBXCFAN-WCQYABFASA-N 1 0 378.274 2.897 20 0 GFADRO CCCSc1nsc(NC(=O)N2CCC(CO[C@H]3CC[NH2+]C3)CC2)n1 ZINC000625868397 565663603 /nfs/dbraw/zinc/66/36/03/565663603.db2.gz ASDDIGMIIWMZDR-ZDUSSCGKSA-N 1 0 385.559 2.663 20 0 GFADRO CCN(C(=O)C(=O)N[C@H](C)Cc1ccc(Cl)cc1Cl)[C@@H]1CC[N@H+](C)C1 ZINC000668721428 565663653 /nfs/dbraw/zinc/66/36/53/565663653.db2.gz LJIJRYWKTLHSBW-IUODEOHRSA-N 1 0 386.323 2.593 20 0 GFADRO OC[C@H](C[NH2+]C[C@H](O)CC(F)(F)F)Cc1cc(Br)ccc1F ZINC000647536852 565664129 /nfs/dbraw/zinc/66/41/29/565664129.db2.gz OGRIZQFPOOCNCV-JOYOIKCWSA-N 1 0 388.199 2.642 20 0 GFADRO Brc1cnc(CN2CC[C@H]3CC[NH2+][C@@H]3C2)c(Br)c1 ZINC000647533913 565664134 /nfs/dbraw/zinc/66/41/34/565664134.db2.gz AFZWHQMXOYZWIH-BXKDBHETSA-N 1 0 375.108 2.790 20 0 GFADRO Cc1nccc(NC(=O)N2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)c1Br ZINC000625881194 565664733 /nfs/dbraw/zinc/66/47/33/565664733.db2.gz HYWPAMSVULXQBT-NXEZZACHSA-N 1 0 395.223 2.565 20 0 GFADRO [NH3+]C[C@@H](NC(=O)N1CCc2cc(F)cc(Br)c2C1)C(F)(F)F ZINC000625899207 565665492 /nfs/dbraw/zinc/66/54/92/565665492.db2.gz MPIASBRHHBMION-LLVKDONJSA-N 1 0 384.171 2.546 20 0 GFADRO C[NH2+]CCOCCN(C)C(=O)Nc1cccc2c(Br)ccnc12 ZINC000625892208 565665614 /nfs/dbraw/zinc/66/56/14/565665614.db2.gz FSZCBVNCAPTSTI-UHFFFAOYSA-N 1 0 381.274 2.697 20 0 GFADRO [NH3+]CC1(NC(=O)Nc2cc(Cl)c(Br)cc2F)CCOCC1 ZINC000625901227 565665911 /nfs/dbraw/zinc/66/59/11/565665911.db2.gz VVWYUSWQCKPXQO-UHFFFAOYSA-N 1 0 380.645 2.871 20 0 GFADRO C[NH+](C)CCC[C@H]1CN(Cc2cc(Br)c3c(c2)OCCO3)CCO1 ZINC000668784469 565666161 /nfs/dbraw/zinc/66/61/61/565666161.db2.gz GLSZSNLTTATQDO-HNNXBMFYSA-N 1 0 399.329 2.763 20 0 GFADRO C[C@@H]1C[C@@H](c2ccc(Br)cc2)C[N@@H+]1CC(=O)NC[C@H]1CCCO1 ZINC000626039966 565672946 /nfs/dbraw/zinc/67/29/46/565672946.db2.gz SOSBLVNVQNKULX-FRFSOERESA-N 1 0 381.314 2.922 20 0 GFADRO OCC[C@H]([NH2+]C[C@@H](O)COC[C@H]1CCCO1)c1cc(Cl)cc(Cl)c1 ZINC000626100557 565674897 /nfs/dbraw/zinc/67/48/97/565674897.db2.gz QTHZCYXUNXHTSZ-ZACQAIPSSA-N 1 0 378.296 2.563 20 0 GFADRO C[C@@H]1C[C@H](N(C)C(=O)c2cc(Br)cc3[nH]c(=O)[nH]c32)CC[N@@H+]1C ZINC000669129021 565678400 /nfs/dbraw/zinc/67/84/00/565678400.db2.gz RYSMNNASKUSZRI-MWLCHTKSSA-N 1 0 381.274 2.586 20 0 GFADRO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1cc(=O)[nH]c2c(Br)cccc12 ZINC000647832082 565680046 /nfs/dbraw/zinc/68/00/46/565680046.db2.gz UNFFBYMZSFACSF-YGRLFVJLSA-N 1 0 378.270 2.868 20 0 GFADRO C[C@H]([NH3+])[C@@H]1CN(C(=O)NCC2(c3ccc(Br)cc3)CCC2)CCO1 ZINC000669403440 565686814 /nfs/dbraw/zinc/68/68/14/565686814.db2.gz FAJFWBOSZGURFA-BBRMVZONSA-N 1 0 396.329 2.628 20 0 GFADRO COC(=O)CCNC(=O)C[N@H+](Cc1ccc(Br)cc1)C(C)(C)C ZINC000599525989 565687257 /nfs/dbraw/zinc/68/72/57/565687257.db2.gz XEZZJKIVVTWXKK-UHFFFAOYSA-N 1 0 385.302 2.729 20 0 GFADRO O=C(NC[C@H]1CCN(c2cccc(Br)c2)C1)NC[C@H]1CCCC[NH2+]1 ZINC000669411043 565687784 /nfs/dbraw/zinc/68/77/84/565687784.db2.gz SQDPOGDBLZOHTM-GDBMZVCRSA-N 1 0 395.345 2.717 20 0 GFADRO [NH3+][C@@H](C(=O)N1CCC(NC(=O)c2ccsc2)CC1)c1cccc(Cl)c1 ZINC000648021393 565688550 /nfs/dbraw/zinc/68/85/50/565688550.db2.gz QYQQPQBIVARITL-MRXNPFEDSA-N 1 0 377.897 2.822 20 0 GFADRO O=C([C@@H]1C[NH2+]CCC1(F)F)N1CCO[C@H](c2cccc(Br)c2)C1 ZINC000648031216 565688629 /nfs/dbraw/zinc/68/86/29/565688629.db2.gz HMWHTNWSWMAWKL-KBPBESRZSA-N 1 0 389.240 2.594 20 0 GFADRO [NH3+][C@H](C(=O)N1CCC(NC(=O)c2ccsc2)CC1)c1cccc(Cl)c1 ZINC000648021392 565688714 /nfs/dbraw/zinc/68/87/14/565688714.db2.gz QYQQPQBIVARITL-INIZCTEOSA-N 1 0 377.897 2.822 20 0 GFADRO O=C(NCC[N@H+]1CC[C@H](O)C1)Nc1cccc(Cl)c1SCC(F)F ZINC000626394027 565689945 /nfs/dbraw/zinc/68/99/45/565689945.db2.gz QMZHUBQWDXVDFR-JTQLQIEISA-N 1 0 379.860 2.885 20 0 GFADRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1Cc1ccc(Br)c2cccnc12 ZINC000648065314 565689931 /nfs/dbraw/zinc/68/99/31/565689931.db2.gz AQNLOUPICBNPOP-ZDUSSCGKSA-N 1 0 391.313 2.549 20 0 GFADRO CN(C(=O)COC1(C)C[NH2+]C1)[C@H]1CCSc2ccc(Br)cc21 ZINC000648067697 565690156 /nfs/dbraw/zinc/69/01/56/565690156.db2.gz TWXUGCVNXJJEBI-ZDUSSCGKSA-N 1 0 385.327 2.823 20 0 GFADRO COC(=O)C(C)(C)CC[NH2+][C@@]1(CO)CCc2cc(Br)ccc2C1 ZINC000599573825 565690591 /nfs/dbraw/zinc/69/05/91/565690591.db2.gz ZIYQRQUTOJTMPT-SFHVURJKSA-N 1 0 384.314 2.848 20 0 GFADRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)NCCc3c[nH]c4ccc(Br)cc34)C[C@@H]12 ZINC000669557327 565692194 /nfs/dbraw/zinc/69/21/94/565692194.db2.gz NMQZPDARLKWXKT-DAXOMENPSA-N 1 0 391.313 2.852 20 0 GFADRO C[C@@H]1CC[C@@H](NC(=O)Nc2ccc(F)cc2I)C[NH2+]1 ZINC000599601261 565692245 /nfs/dbraw/zinc/69/22/45/565692245.db2.gz NNYUMBHGOLTOFB-PSASIEDQSA-N 1 0 377.201 2.692 20 0 GFADRO COc1cc(Br)ccc1CCCNC(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000669557518 565692677 /nfs/dbraw/zinc/69/26/77/565692677.db2.gz SLEOHJJCXZCGEC-HNNXBMFYSA-N 1 0 384.318 2.832 20 0 GFADRO Cn1nc2cc(Br)ccc2c1C(=O)N[C@@H]1CC[NH2+]C12CCCC2 ZINC000648211228 565693261 /nfs/dbraw/zinc/69/32/61/565693261.db2.gz LYVAUXNUVCVDCK-CQSZACIVSA-N 1 0 377.286 2.740 20 0 GFADRO C[C@@H]1C[C@H](C)N(C(=O)c2c3ccc(Br)cc3nn2C)C[C@H]1C[NH3+] ZINC000648179764 565693683 /nfs/dbraw/zinc/69/36/83/565693683.db2.gz WOHXWLVQXXCJNT-GRYCIOLGSA-N 1 0 379.302 2.781 20 0 GFADRO COc1cc(C(=O)N[C@@H]2CC[NH2+]C3(CCC3)C2)cc(Br)c1OC ZINC000648186902 565693859 /nfs/dbraw/zinc/69/38/59/565693859.db2.gz GMFCZQRUJJVTKT-GFCCVEGCSA-N 1 0 383.286 2.871 20 0 GFADRO COC(=O)c1cc(NC(=O)N2CC[NH2+]C[C@@H]2C(C)C)ccc1Br ZINC000599612967 565694106 /nfs/dbraw/zinc/69/41/06/565694106.db2.gz NWNCDHHQWDMPRP-CQSZACIVSA-N 1 0 384.274 2.697 20 0 GFADRO Cc1cc(Br)cc(C)c1N1CCC[C@H](NC(=O)NC[C@H](C)[NH3+])C1 ZINC000669584718 565694608 /nfs/dbraw/zinc/69/46/08/565694608.db2.gz IBSCIDIPPVIZHF-ZFWWWQNUSA-N 1 0 383.334 2.681 20 0 GFADRO COCC[C@H](NC(=O)N1CCO[C@@H]([C@@H](C)[NH3+])C1)c1ccc(Cl)c(Cl)c1 ZINC000669582767 565694628 /nfs/dbraw/zinc/69/46/28/565694628.db2.gz QMDGGXIROIUJCS-XFBWCDHKSA-N 1 0 390.311 2.829 20 0 GFADRO COC(=O)CN(C)C(=O)CC[N@@H+]1C[C@H](c2ccc(Br)cc2)C[C@H]1C ZINC000599653877 565694882 /nfs/dbraw/zinc/69/48/82/565694882.db2.gz WIIAWFOHDHAWRH-UKRRQHHQSA-N 1 0 397.313 2.648 20 0 GFADRO C[N@H+](Cc1ccc(I)c(Cl)c1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000599652411 565695231 /nfs/dbraw/zinc/69/52/31/565695231.db2.gz LRQRWEJOEHGDLL-AOOOYVTPSA-N 1 0 378.641 2.640 20 0 GFADRO C[C@@H](CC(=O)NCC[N@H+](C)Cc1ccc(F)cc1)n1cc(Br)cn1 ZINC000648314261 565702552 /nfs/dbraw/zinc/70/25/52/565702552.db2.gz XUBOHIHGXOWDAV-ZDUSSCGKSA-N 1 0 397.292 2.984 20 0 GFADRO Cc1ccc(Br)cc1CC(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000648316182 565702626 /nfs/dbraw/zinc/70/26/26/565702626.db2.gz MKFSPGCLILLOEC-QGZVFWFLSA-N 1 0 394.357 2.585 20 0 GFADRO CS(=O)(=O)NC1CC([NH2+]Cc2ccc(-c3nc4ccccc4s3)o2)C1 ZINC000669831977 565703351 /nfs/dbraw/zinc/70/33/51/565703351.db2.gz NFXWBEBIFXEZRC-UHFFFAOYSA-N 1 0 377.491 2.726 20 0 GFADRO C[C@H](CC(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1)n1cc(Br)cn1 ZINC000648337773 565704813 /nfs/dbraw/zinc/70/48/13/565704813.db2.gz QTILSIWSAJSQCL-HIFRSBDPSA-N 1 0 383.334 2.787 20 0 GFADRO CN1C(=O)N[C@]2(CCC[C@H]2C[NH2+][C@H]2CCc3ccc(Br)cc32)C1=O ZINC000669848661 565704816 /nfs/dbraw/zinc/70/48/16/565704816.db2.gz JXEKXMOEAYNFKJ-QITLCBANSA-N 1 0 392.297 2.747 20 0 GFADRO C[C@@H]1C[C@H]([NH2+][C@@H]2CCc3ccc(Br)cc32)C(=O)N1c1cnn(C)c1 ZINC000669848804 565705476 /nfs/dbraw/zinc/70/54/76/565705476.db2.gz STEZYSPRHFKRIY-LQAWEQHXSA-N 1 0 389.297 2.954 20 0 GFADRO O=C(Nc1cc(Cl)c(Br)cc1F)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000626664059 565707115 /nfs/dbraw/zinc/70/71/15/565707115.db2.gz JJMFHHOBENKTJR-DTWKUNHWSA-N 1 0 392.656 2.524 20 0 GFADRO C[NH+](C)[C@@H]1[C@H]2CN(C(=O)CSCc3ccc(Br)cc3F)C[C@H]21 ZINC000599999546 565710151 /nfs/dbraw/zinc/71/01/51/565710151.db2.gz FDZZEIIGKJFRTC-VIKVFOODSA-N 1 0 387.318 2.840 20 0 GFADRO O=C(NCC[NH2+]C1CC(c2ccc(Br)cc2F)C1)c1cnccn1 ZINC000648440516 565712801 /nfs/dbraw/zinc/71/28/01/565712801.db2.gz AQDGYHQVONEUHQ-UHFFFAOYSA-N 1 0 393.260 2.644 20 0 GFADRO Cc1ccc(NC(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)c(Cl)c1 ZINC000626861165 565712939 /nfs/dbraw/zinc/71/29/39/565712939.db2.gz LLIKZBVKLRFHSV-GHMZBOCLSA-N 1 0 377.794 2.573 20 0 GFADRO O=C(Nc1cc(Cl)c(Cl)cc1Cl)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000626849078 565713057 /nfs/dbraw/zinc/71/30/57/565713057.db2.gz MBXPHFUXCJQQLC-GFCCVEGCSA-N 1 0 376.671 2.986 20 0 GFADRO CC(C)[C@@H]1C[NH2+]CCN1C(=O)C(=O)Nc1cc(Cl)ccc1C(F)(F)F ZINC000626847613 565713404 /nfs/dbraw/zinc/71/34/04/565713404.db2.gz SVEZWEFAENYWLU-ZDUSSCGKSA-N 1 0 377.794 2.754 20 0 GFADRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)Nc1cccc(Cl)c1SCC(F)F ZINC000626865521 565713935 /nfs/dbraw/zinc/71/39/35/565713935.db2.gz PHIXYYMBOSXAGQ-WDEREUQCSA-N 1 0 391.871 2.892 20 0 GFADRO C[C@H](CCc1ccc(Br)cc1)NC(=O)NC1(C[NH3+])CCOCC1 ZINC000626946671 565716285 /nfs/dbraw/zinc/71/62/85/565716285.db2.gz WDWNTWURQXTQMY-CYBMUJFWSA-N 1 0 384.318 2.577 20 0 GFADRO CC[C@@H](CNC(=O)N(C)CCOCC[NH3+])Cc1cccc(Br)c1 ZINC000626981226 565717675 /nfs/dbraw/zinc/71/76/75/565717675.db2.gz NJFQZZYGVKKHBP-CQSZACIVSA-N 1 0 386.334 2.635 20 0 GFADRO O=C1NC(=O)C2(CCC([NH2+][C@@H]3CCc4c3ccc(F)c4Br)CC2)N1 ZINC000648582534 565718084 /nfs/dbraw/zinc/71/80/84/565718084.db2.gz RPYUAEAQEUQHJS-ZQGOXVPYSA-N 1 0 396.260 2.686 20 0 GFADRO C[C@H](CNC(=O)N[C@@H]1CC[NH2+]C12CCC2)Oc1ccccc1Br ZINC000626993363 565718276 /nfs/dbraw/zinc/71/82/76/565718276.db2.gz GFDQSIOQAVVNNT-IUODEOHRSA-N 1 0 382.302 2.800 20 0 GFADRO COc1cc(Br)ccc1CCCNC(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000627012578 565718973 /nfs/dbraw/zinc/71/89/73/565718973.db2.gz BPUKGKRCAVEUSU-IUODEOHRSA-N 1 0 384.318 2.830 20 0 GFADRO [NH3+]CC1(NC(=O)NCc2cc(Cl)cc(Cl)c2OC(F)F)CCOCC1 ZINC000626998634 565719267 /nfs/dbraw/zinc/71/92/67/565719267.db2.gz RRDFZWLLFCPBIL-UHFFFAOYSA-N 1 0 398.237 2.902 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)N[C@H]2COc3ccc(Cl)cc32)CC[C@H]1C(F)(F)F ZINC000627000494 565719275 /nfs/dbraw/zinc/71/92/75/565719275.db2.gz QCUWJZJBVRUPBU-WQAKAFBOSA-N 1 0 377.794 2.942 20 0 GFADRO COc1cc(Br)ccc1CCCNC(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000627014785 565719815 /nfs/dbraw/zinc/71/98/15/565719815.db2.gz XTRXCTWXFKVABP-MRXNPFEDSA-N 1 0 396.329 2.974 20 0 GFADRO CCSc1cc(CNC(=O)N2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)ccn1 ZINC000627016600 565719849 /nfs/dbraw/zinc/71/98/49/565719849.db2.gz QLCLKZCHZBWXLV-CHWSQXEVSA-N 1 0 376.448 2.862 20 0 GFADRO Cc1nn2c(C[NH2+]C3CCC(CS(C)(=O)=O)CC3)c(C(C)C)nc2s1 ZINC000648629156 565721026 /nfs/dbraw/zinc/72/10/26/565721026.db2.gz AKPNQWWUVHPNSW-UHFFFAOYSA-N 1 0 384.571 2.916 20 0 GFADRO C[C@H]1CC[C@H](NC(=O)NCCc2c[nH]c3cccc(Br)c23)C[NH2+]1 ZINC000627037754 565721063 /nfs/dbraw/zinc/72/10/63/565721063.db2.gz BSCFXKVYLQPNPE-AAEUAGOBSA-N 1 0 379.302 2.913 20 0 GFADRO O=C(NC[C@H]1C[N@@H+]2CCN1CCC2)C1(c2ccc(Cl)c(Cl)c2)CCC1 ZINC000670406878 565721480 /nfs/dbraw/zinc/72/14/80/565721480.db2.gz FXNGLNAXZYMPRP-HNNXBMFYSA-N 1 0 382.335 2.921 20 0 GFADRO O=C(Cc1ccc(Br)cc1)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000670390630 565721871 /nfs/dbraw/zinc/72/18/71/565721871.db2.gz LOHUMMAAUUFCMY-QGZVFWFLSA-N 1 0 381.314 2.705 20 0 GFADRO O=C(N[C@@H]1CC12CC[NH2+]CC2)N1CCc2cc(F)cc(Br)c2C1 ZINC000627119789 565722514 /nfs/dbraw/zinc/72/25/14/565722514.db2.gz VAJLYKAFEMFCHQ-OAHLLOKOSA-N 1 0 382.277 2.798 20 0 GFADRO C[NH2+]CCOCCN(C)C(=O)N[C@H](C)c1cc(F)c(Br)cc1F ZINC000627125901 565722584 /nfs/dbraw/zinc/72/25/84/565722584.db2.gz YRFGNVVPXDTMCE-SNVBAGLBSA-N 1 0 394.260 2.666 20 0 GFADRO C[C@H]1C[C@@H](c2ccc(Br)cc2)CN1C(=O)NCC1([NH3+])CCOCC1 ZINC000627146633 565723806 /nfs/dbraw/zinc/72/38/06/565723806.db2.gz BHQFSFIGHDWZCC-DZGCQCFKSA-N 1 0 396.329 2.844 20 0 GFADRO [NH3+]C1(CNC(=O)N(Cc2cccc(Br)c2)CC2CC2)CCOCC1 ZINC000627149669 565723879 /nfs/dbraw/zinc/72/38/79/565723879.db2.gz LXBXNEBKWWTBFM-UHFFFAOYSA-N 1 0 396.329 2.879 20 0 GFADRO C[NH2+]CCOCCNC(=O)N1CCC[C@H]1c1ccc(Br)c(F)c1 ZINC000627172977 565725077 /nfs/dbraw/zinc/72/50/77/565725077.db2.gz KRWXRZKNUDBVHL-HNNXBMFYSA-N 1 0 388.281 2.671 20 0 GFADRO CC(C)[N@@H+]1CCCN(C(=O)C(=O)NCCc2ccc(Cl)cc2Cl)CC1 ZINC000670495922 565726274 /nfs/dbraw/zinc/72/62/74/565726274.db2.gz XTKLUTFJOBSILU-UHFFFAOYSA-N 1 0 386.323 2.595 20 0 GFADRO [NH3+]CCCOCCNC(=O)N(Cc1cccc(Br)c1)CC1CC1 ZINC000627217757 565726716 /nfs/dbraw/zinc/72/67/16/565726716.db2.gz UFJUZYUSPPEUGA-UHFFFAOYSA-N 1 0 384.318 2.736 20 0 GFADRO COc1ccc(CN2CCC[C@@]3(CCS(=O)(=O)C3)C2)cc1OC(F)F ZINC000648768945 565727051 /nfs/dbraw/zinc/72/70/51/565727051.db2.gz WTTIECAIRWTUNG-QGZVFWFLSA-N 1 0 375.437 2.697 20 0 GFADRO O=C([C@@H]1CCc2cc(Br)ccc21)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000648774276 565728615 /nfs/dbraw/zinc/72/86/15/565728615.db2.gz QPZXMHMQEJDGTA-FGTMMUONSA-N 1 0 393.325 2.537 20 0 GFADRO O=C(CCC(=O)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1)c1cc(Cl)sc1Cl ZINC000627259856 565729059 /nfs/dbraw/zinc/72/90/59/565729059.db2.gz ADHRLSPUHZXGSM-MNOVXSKESA-N 1 0 391.320 2.685 20 0 GFADRO Cc1cc2c(o1)c(C(=O)N1CC[C@@H]([N@@H+]3CC[C@H](O)C3)C1)ccc2Br ZINC000627264198 565730157 /nfs/dbraw/zinc/73/01/57/565730157.db2.gz PUCRTIDSINHFDC-OLZOCXBDSA-N 1 0 393.281 2.785 20 0 GFADRO O=C(c1ccc2scc(Br)c2c1)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000627269232 565730371 /nfs/dbraw/zinc/73/03/71/565730371.db2.gz OSCHYDVWJSCIES-STQMWFEESA-N 1 0 395.322 2.945 20 0 GFADRO O=C(c1ccc(OC(F)(F)F)c(Cl)c1)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000627272319 565731598 /nfs/dbraw/zinc/73/15/98/565731598.db2.gz MDTWDXCFDSPHLA-NEPJUHHUSA-N 1 0 378.778 2.520 20 0 GFADRO C[C@@H]1[C@H](C(=O)Nc2nccn2Cc2ccc(Br)cc2)CC[N@@H+]1C ZINC000648820730 565731962 /nfs/dbraw/zinc/73/19/62/565731962.db2.gz QLUCMRXUQAFGIK-IUODEOHRSA-N 1 0 377.286 2.973 20 0 GFADRO O=C([C@@H]1CCCN1Cc1ccc(Cl)cc1)N1CC[C@H]2CC[C@@H](C1)[S@@]2=O ZINC000600479722 565732025 /nfs/dbraw/zinc/73/20/25/565732025.db2.gz KNJUKHMTPYIGDU-HCSKMRSTSA-N 1 0 380.941 2.816 20 0 GFADRO Cn1nc2cc(Br)ccc2c1C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000648831063 565733534 /nfs/dbraw/zinc/73/35/34/565733534.db2.gz LHLWDDFSLFHLKO-MLGOLLRUSA-N 1 0 391.313 2.892 20 0 GFADRO Cn1ccnc1[C@H]1C[C@@H]([NH2+]Cc2cc3c(c(Br)c2)OCO3)CCO1 ZINC000648869691 565735418 /nfs/dbraw/zinc/73/54/18/565735418.db2.gz TUKLSTJJEDEDRH-SWLSCSKDSA-N 1 0 394.269 2.921 20 0 GFADRO Cn1nc2cc(Br)ccc2c1C(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000648914837 565739801 /nfs/dbraw/zinc/73/98/01/565739801.db2.gz YCYIKTAHLVJWPG-SFHVURJKSA-N 1 0 391.313 2.894 20 0 GFADRO C[NH+](C)[C@@H]1[C@H]2CN(C(=O)Cc3csc(Cc4cccc(Cl)c4)n3)C[C@H]21 ZINC000627655323 565745106 /nfs/dbraw/zinc/74/51/06/565745106.db2.gz MADFONYMHDTOBZ-MNZLEMJZSA-N 1 0 375.925 2.948 20 0 GFADRO C[C@@H](C(=O)N1CCOC2(CC[NH+](C)CC2)C1)c1ccc(Br)s1 ZINC000649132401 565749312 /nfs/dbraw/zinc/74/93/12/565749312.db2.gz YCDZGORKROJHJZ-GFCCVEGCSA-N 1 0 387.343 2.937 20 0 GFADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@](C)(CO)Cc1ccccc1 ZINC000671121964 565753017 /nfs/dbraw/zinc/75/30/17/565753017.db2.gz JYCUBHHZHMZAID-DNVCBOLYSA-N 1 0 393.325 2.830 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)NC[C@H]2CCCC[N@@H+](C)C2)c(Br)c1 ZINC000627827270 565754482 /nfs/dbraw/zinc/75/44/82/565754482.db2.gz UWSOMIMXMRZDAN-CQSZACIVSA-N 1 0 396.329 2.853 20 0 GFADRO O=C(CCCN1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)c1ccc(Br)cc1 ZINC000649284409 565757514 /nfs/dbraw/zinc/75/75/14/565757514.db2.gz UYVSFWZFTLKUDR-IEBWSBKVSA-N 1 0 395.341 2.943 20 0 GFADRO COC(=O)[C@@H]1CCC[C@@H](n2cc([C@@H]([NH3+])c3ccc(Br)cc3)nn2)C1 ZINC000600979662 565761395 /nfs/dbraw/zinc/76/13/95/565761395.db2.gz KSECZQQLPMDJOV-XPKDYRNWSA-N 1 0 393.285 2.993 20 0 GFADRO COc1cc(Cl)ccc1S(=O)(=O)NC[C@H](Cc1ccccc1)[NH+](C)C ZINC000649466619 565761328 /nfs/dbraw/zinc/76/13/28/565761328.db2.gz FFYNNDKXBMGUSN-INIZCTEOSA-N 1 0 382.913 2.800 20 0 GFADRO O=C(NC[C@@H]1CC[N@@H+]1C1CCCC1)C(=O)Nc1ccc(F)c(Br)c1 ZINC000627907176 565761453 /nfs/dbraw/zinc/76/14/53/565761453.db2.gz PVVMZPUVEMOBPF-ZDUSSCGKSA-N 1 0 398.276 2.660 20 0 GFADRO COC(=O)CC1([NH2+]Cc2cc(OC)c(Br)cc2F)CCOCC1 ZINC000601109956 565767172 /nfs/dbraw/zinc/76/71/72/565767172.db2.gz WZJGPHOMSLXTFS-UHFFFAOYSA-N 1 0 390.249 2.799 20 0 GFADRO C[C@H](Oc1cccc(Br)c1)C(=O)N1CCC([NH+]2CCOCC2)CC1 ZINC000628125247 565774209 /nfs/dbraw/zinc/77/42/09/565774209.db2.gz QUFYBXQDZHAALK-AWEZNQCLSA-N 1 0 397.313 2.540 20 0 GFADRO CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)c2[nH]nc(C(C)C)c2Br)C1 ZINC000671619007 565775845 /nfs/dbraw/zinc/77/58/45/565775845.db2.gz JSRQMIHXZLIWHU-STQMWFEESA-N 1 0 399.333 2.621 20 0 GFADRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2nscc2Br)[C@@H](C)C1 ZINC000649738945 565775999 /nfs/dbraw/zinc/77/59/99/565775999.db2.gz ZXXKUQCABJDHAG-WCQYABFASA-N 1 0 390.347 2.772 20 0 GFADRO CC(C)N1CC[NH+](C2CCN(Cc3ncc(Br)cc3F)CC2)CC1 ZINC000628188394 565778669 /nfs/dbraw/zinc/77/86/69/565778669.db2.gz ZGEWHRCYLVWRJJ-UHFFFAOYSA-N 1 0 399.352 2.974 20 0 GFADRO CC[C@H]([NH2+]Cc1cc(Cl)cc(Cl)c1OCCN1CCOCC1)[C@H](C)O ZINC000628299377 565783677 /nfs/dbraw/zinc/78/36/77/565783677.db2.gz NGYXXABVAROQCB-GUYCJALGSA-N 1 0 391.339 2.953 20 0 GFADRO CS(=O)(=O)N1CCCC[C@@H]1C[NH2+][C@H]1CCc2cc(Br)ccc21 ZINC000671769510 565785352 /nfs/dbraw/zinc/78/53/52/565785352.db2.gz FNZVBGBKYWZMDS-ZBFHGGJFSA-N 1 0 387.343 2.840 20 0 GFADRO CN(C)C(=O)C1([NH2+]Cc2cn3cc(Br)ccc3n2)CCCCC1 ZINC000649918457 565787664 /nfs/dbraw/zinc/78/76/64/565787664.db2.gz PPAXOWAKYGEBOV-UHFFFAOYSA-N 1 0 379.302 2.978 20 0 GFADRO O=C(c1cc(F)ccc1I)N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000601555373 565791038 /nfs/dbraw/zinc/79/10/38/565791038.db2.gz FEGQNNMSKHIFFU-IINYFYTJSA-N 1 0 388.224 2.644 20 0 GFADRO Cc1c(I)cccc1C(=O)N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000601559518 565792240 /nfs/dbraw/zinc/79/22/40/565792240.db2.gz UDUDLXSSAYRULO-SWLSCSKDSA-N 1 0 384.261 2.814 20 0 GFADRO O=C(Nc1cc(I)ccc1Cl)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000601559121 565792402 /nfs/dbraw/zinc/79/24/02/565792402.db2.gz GJNKSUPYBOBSPQ-AOOOYVTPSA-N 1 0 391.640 2.913 20 0 GFADRO C[C@H]1C[C@H]([NH3+])CN1C(=O)Nc1cc(F)c(F)cc1I ZINC000601562361 565792460 /nfs/dbraw/zinc/79/24/60/565792460.db2.gz SPGHNLAQBRHYQJ-BQBZGAKWSA-N 1 0 381.164 2.523 20 0 GFADRO C[C@@H](NC(=O)C(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C)c1ccsc1 ZINC000671985262 565792690 /nfs/dbraw/zinc/79/26/90/565792690.db2.gz BEXIXOCSVZMISQ-WBMJQRKESA-N 1 0 379.913 2.998 20 0 GFADRO CC(C)C[N@H+](C)CCCNC(=O)Cc1cc2c(cc1Br)OCCO2 ZINC000650176783 565803323 /nfs/dbraw/zinc/80/33/23/565803323.db2.gz UEYZFYXFDXERRE-UHFFFAOYSA-N 1 0 399.329 2.857 20 0 GFADRO O=S(=O)(Cc1cccc(Br)c1)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000672409679 565807333 /nfs/dbraw/zinc/80/73/33/565807333.db2.gz SPRGEXOSCXVYNI-MRXNPFEDSA-N 1 0 387.343 2.885 20 0 GFADRO CC1(C)C[NH2+]CC[C@@H](NC(=O)c2ccc(F)cc2I)C1 ZINC000601975228 565812257 /nfs/dbraw/zinc/81/22/57/565812257.db2.gz MLGXTVYGCYBWSR-LLVKDONJSA-N 1 0 390.240 2.938 20 0 GFADRO COC(=O)C[C@@H](NC(=O)C[C@H]1CC[N@H+](C)C1)c1ccc(Br)cc1 ZINC000602039474 565817153 /nfs/dbraw/zinc/81/71/53/565817153.db2.gz DBJCATSNHBSMEO-IUODEOHRSA-N 1 0 383.286 2.511 20 0 GFADRO CO[C@H](C(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1)c1cnn(C)c1 ZINC000628969262 565817246 /nfs/dbraw/zinc/81/72/46/565817246.db2.gz QAYDGILUCLHZEW-HOTGVXAUSA-N 1 0 385.295 2.834 20 0 GFADRO CNC(=O)c1cccc(NC(=O)N[C@@H](C)C2CC[NH+](C)CC2)c1Br ZINC000672835821 565819704 /nfs/dbraw/zinc/81/97/04/565819704.db2.gz WGGHPBDZJOMINC-NSHDSACASA-N 1 0 397.317 2.661 20 0 GFADRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1cnc2ncc(Br)cc2c1 ZINC000672867974 565820664 /nfs/dbraw/zinc/82/06/64/565820664.db2.gz IOAXHQZYYYITFY-ZUZCIYMTSA-N 1 0 375.270 2.605 20 0 GFADRO CC(C)[N@@H+]1CCC[C@H](NC(=O)c2cnc3ncc(Br)cc3c2)C1 ZINC000672965022 565824037 /nfs/dbraw/zinc/82/40/37/565824037.db2.gz RAAVSTNHXRXIEH-HNNXBMFYSA-N 1 0 377.286 2.995 20 0 GFADRO C[C@H](NC(=O)NCCn1cc(Br)cn1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000673011747 565825091 /nfs/dbraw/zinc/82/50/91/565825091.db2.gz TXTYUMACTOJAGD-UONOGXRCSA-N 1 0 398.349 2.598 20 0 GFADRO C[C@H](NC(=O)NCCn1cc(Br)cn1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000673011745 565825237 /nfs/dbraw/zinc/82/52/37/565825237.db2.gz TXTYUMACTOJAGD-KBPBESRZSA-N 1 0 398.349 2.598 20 0 GFADRO CC[N@H+](CCNC(=O)N1C[C@@H](C(F)(F)F)OC[C@H]1C)CCC(F)(F)F ZINC000673042759 565826419 /nfs/dbraw/zinc/82/64/19/565826419.db2.gz RWCLPLKZZBWGJO-MNOVXSKESA-N 1 0 379.345 2.622 20 0 GFADRO C[N@@H+]1C[C@H]2CCN(C(=O)c3ccc4[nH]cc(I)c4c3)[C@@H]2C1 ZINC000602157756 565826862 /nfs/dbraw/zinc/82/68/62/565826862.db2.gz CPDAMWNUQXOLCQ-IAQYHMDHSA-N 1 0 395.244 2.549 20 0 GFADRO CC(C)C[C@H](Cc1cccc(Br)c1)C(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000629173563 565827012 /nfs/dbraw/zinc/82/70/12/565827012.db2.gz QIIOXFZKRJWVEA-SJLPKXTDSA-N 1 0 397.357 2.837 20 0 GFADRO O=C(NCC[N@H+]1CC[C@@H](O)C1)C1(c2ccc(Br)cc2)CCCCC1 ZINC000629175753 565827383 /nfs/dbraw/zinc/82/73/83/565827383.db2.gz QMWNRAWMTAMIEU-QGZVFWFLSA-N 1 0 395.341 2.834 20 0 GFADRO C[C@H]1CN(CC[NH2+]Cc2nc(-c3ccc(Br)cc3)c[nH]2)CCO1 ZINC000602275320 565836539 /nfs/dbraw/zinc/83/65/39/565836539.db2.gz WTGNXBSDROYXME-ZDUSSCGKSA-N 1 0 379.302 2.650 20 0 GFADRO O=C(c1csc(-c2ccccc2Cl)n1)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000673512270 565837317 /nfs/dbraw/zinc/83/73/17/565837317.db2.gz BQEJCONVSZHENY-OLZOCXBDSA-N 1 0 377.897 2.745 20 0 GFADRO O=C(c1csc(-c2cccc(Cl)c2)n1)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000673513012 565838474 /nfs/dbraw/zinc/83/84/74/565838474.db2.gz MTSNYBNYOLBDMB-CABCVRRESA-N 1 0 377.897 2.745 20 0 GFADRO C[N@H+](CCO)Cc1cc(NCc2ccc(S(C)(=O)=O)cc2)ccc1Cl ZINC000673608335 565843451 /nfs/dbraw/zinc/84/34/51/565843451.db2.gz WRDOOBWMRAZBNA-UHFFFAOYSA-N 1 0 382.913 2.780 20 0 GFADRO CC(C)(O)C[N@H+](Cc1cn2cc(Br)ccc2n1)C1CCOCC1 ZINC000673712941 565845934 /nfs/dbraw/zinc/84/59/34/565845934.db2.gz PJAUZDLOJMHUTR-UHFFFAOYSA-N 1 0 382.302 2.849 20 0 GFADRO Cc1cc(C(=O)N2CCC([NH3+])CC2)c(I)cc1Cl ZINC000602421053 565846480 /nfs/dbraw/zinc/84/64/80/565846480.db2.gz IRGPRORXWVRTMN-UHFFFAOYSA-N 1 0 378.641 2.816 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)N1CCO[C@H](C(F)(F)F)C1)c1ccc(Cl)cc1 ZINC000673780734 565846592 /nfs/dbraw/zinc/84/65/92/565846592.db2.gz ANBUJKGXVWKEGI-KGLIPLIRSA-N 1 0 379.810 2.915 20 0 GFADRO CCC1([NH+]2CCOCC2)CCN(C(=O)c2cncc(Br)c2C)CC1 ZINC000629414796 565850511 /nfs/dbraw/zinc/85/05/11/565850511.db2.gz SRJKEXATCUSPBT-UHFFFAOYSA-N 1 0 396.329 2.870 20 0 GFADRO COC(=O)c1cc(C[NH2+]C[C@H]2CCN(c3ccc(Br)cc3)C2)on1 ZINC000602527980 565852824 /nfs/dbraw/zinc/85/28/24/565852824.db2.gz NVNFUATTXBXZQX-GFCCVEGCSA-N 1 0 394.269 2.840 20 0 GFADRO CC(C)[C@@H](CNc1ccc(-c2ccc(Cl)s2)nn1)[NH+]1CCN(C)CC1 ZINC000651296861 565854307 /nfs/dbraw/zinc/85/43/07/565854307.db2.gz NJDUNJMACSEKKC-OAHLLOKOSA-N 1 0 379.961 3.542 20 0 GFADRO C[NH+](C)[C@]1(CNC(=O)Nc2nnc(Cc3ccccc3)s2)CCSC1 ZINC000673981954 565854927 /nfs/dbraw/zinc/85/49/27/565854927.db2.gz BTYICGFRLQUVCP-KRWDZBQOSA-N 1 0 377.539 2.688 20 0 GFADRO CN(C1CC[NH+](CCCc2ccc(C(F)(F)F)cc2)CC1)S(C)(=O)=O ZINC000674006405 565855923 /nfs/dbraw/zinc/85/59/23/565855923.db2.gz SMUTZKYPTMZNOV-UHFFFAOYSA-N 1 0 378.460 2.994 20 0 GFADRO C[C@@H](CNC(=O)N[C@@H]1CC[N@H+](CC2CC2)C1)Oc1ccccc1Br ZINC000674031687 565856884 /nfs/dbraw/zinc/85/68/84/565856884.db2.gz DSWWXDJVYGBGTL-DZGCQCFKSA-N 1 0 396.329 3.000 20 0 GFADRO CCOC(=O)c1cc(C[NH2+]C[C@H](CO)Cc2ccccc2Br)on1 ZINC000602635465 565859324 /nfs/dbraw/zinc/85/93/24/565859324.db2.gz FLCJRFNZEQXYPZ-GFCCVEGCSA-N 1 0 397.269 2.555 20 0 GFADRO O=C1C[C@@H]([NH2+]Cc2ccc(Cl)cc2I)CCCN1 ZINC000602636133 565859858 /nfs/dbraw/zinc/85/98/58/565859858.db2.gz GUCREDRLXCBRMN-NSHDSACASA-N 1 0 378.641 2.703 20 0 GFADRO C[NH+]1CCC2(CC1)CN(c1ncnc3cc(Br)sc31)CCO2 ZINC000651359743 565860854 /nfs/dbraw/zinc/86/08/54/565860854.db2.gz CTGCYCOXNVOVBY-UHFFFAOYSA-N 1 0 383.315 2.755 20 0 GFADRO COc1ncc(Br)cc1C[NH2+]C[C@@H](O)COc1cccc(C)c1 ZINC000629593871 565861384 /nfs/dbraw/zinc/86/13/84/565861384.db2.gz XLZPGRDHCXMXIA-OAHLLOKOSA-N 1 0 381.270 2.691 20 0 GFADRO CSc1ccc(OC[C@@H](O)C[NH2+]C[C@H](n2cccn2)C(F)(F)F)cc1 ZINC000629596149 565861660 /nfs/dbraw/zinc/86/16/60/565861660.db2.gz DLZYMWZXHNYGKW-WFASDCNBSA-N 1 0 375.416 2.738 20 0 GFADRO COc1ncc(Br)cc1C[NH2+]C[C@H](O)COc1ccccc1C ZINC000629593672 565861818 /nfs/dbraw/zinc/86/18/18/565861818.db2.gz URCBKZQVUVXUBA-HNNXBMFYSA-N 1 0 381.270 2.691 20 0 GFADRO O[C@H](C[NH2+]CC/C=C/c1ccc(Br)cc1)COC1CCOCC1 ZINC000629599632 565862923 /nfs/dbraw/zinc/86/29/23/565862923.db2.gz ONMWDKUILGDWKK-XKKXFUJGSA-N 1 0 384.314 2.999 20 0 GFADRO O=C1[C@H]([NH2+]Cc2ccc(I)s2)C[C@@H]2CCCCN12 ZINC000602686167 565863969 /nfs/dbraw/zinc/86/39/69/565863969.db2.gz AZTJPBYCLGZDMB-GXSJLCMTSA-N 1 0 376.263 2.596 20 0 GFADRO OC1CCN(CC[NH2+][C@@H](c2ccc(Br)cc2)[C@H]2CCCO2)CC1 ZINC000651465102 565864847 /nfs/dbraw/zinc/86/48/47/565864847.db2.gz KETGQKLCQADKOB-MSOLQXFVSA-N 1 0 383.330 2.716 20 0 GFADRO CCOC(=O)[C@@]1(C)CCC[C@@H]1[NH2+]Cc1cnn2cc(Br)cnc12 ZINC000602723017 565865386 /nfs/dbraw/zinc/86/53/86/565865386.db2.gz PRQGDFWSRFJMHT-BBRMVZONSA-N 1 0 381.274 2.703 20 0 GFADRO COCCc1ncc(C[N@@H+]2CCC[C@@H](c3ncc(C(=O)OC)s3)C2)s1 ZINC000602714106 565865402 /nfs/dbraw/zinc/86/54/02/565865402.db2.gz GFPXPSXUUCVLMU-GFCCVEGCSA-N 1 0 381.523 2.955 20 0 GFADRO CCOC(=O)COc1c(Br)cc(C)cc1C[NH2+][C@H]1C[C@@H](CO)C1 ZINC000602722654 565865513 /nfs/dbraw/zinc/86/55/13/565865513.db2.gz AKIAMEXYXHYXRE-XBXGTLAGSA-N 1 0 386.286 2.560 20 0 GFADRO COC1CC[NH+](CCNC(=O)[C@H](C)Oc2ccc(Cl)c(Cl)c2)CC1 ZINC000674310986 565867347 /nfs/dbraw/zinc/86/73/47/565867347.db2.gz QYRPFWRZQRSMAY-LBPRGKRZSA-N 1 0 375.296 2.988 20 0 GFADRO COC1CC[NH+](CCNC(=O)N[C@H]2CCc3c2cccc3Br)CC1 ZINC000674328746 565868611 /nfs/dbraw/zinc/86/86/11/565868611.db2.gz SVXFXJZEPWAFLT-KRWDZBQOSA-N 1 0 396.329 2.846 20 0 GFADRO Cc1ccc(-c2nc(NC(=O)C(=O)N[C@@H]3CCC[N@@H+](C)C3)sc2C)s1 ZINC000651531315 565868942 /nfs/dbraw/zinc/86/89/42/565868942.db2.gz DYOFHSDZPMRXIU-GFCCVEGCSA-N 1 0 378.523 2.637 20 0 GFADRO O=S(=O)(Cc1cc(Cl)sc1Cl)N1CCC[C@H]1CN1CCOCC1 ZINC000651581203 565875214 /nfs/dbraw/zinc/87/52/14/565875214.db2.gz LAZUSADGESLEBU-LBPRGKRZSA-N 1 0 399.365 2.681 20 0 GFADRO COCC1(CS(=O)(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)CCC1 ZINC000651577374 565875403 /nfs/dbraw/zinc/87/54/03/565875403.db2.gz JLUDASZDOGJKND-RDJZCZTQSA-N 1 0 386.583 2.867 20 0 GFADRO O=S(=O)(Cc1ccc(Cl)cc1)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000651586777 565876236 /nfs/dbraw/zinc/87/62/36/565876236.db2.gz MIHQRVIVHKIRIR-UHFFFAOYSA-N 1 0 386.945 2.747 20 0 GFADRO Cc1cc(Br)sc1S(=O)(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000651589991 565876702 /nfs/dbraw/zinc/87/67/02/565876702.db2.gz XBSNNYRWGPDAHW-GFCCVEGCSA-N 1 0 399.401 2.535 20 0 GFADRO O=S(=O)(NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1ccc(Cl)c(F)c1 ZINC000651605895 565879052 /nfs/dbraw/zinc/87/90/52/565879052.db2.gz YOOUIGKJOKPGID-IRXDYDNUSA-N 1 0 390.908 2.525 20 0 GFADRO C[NH2+]C1(CNC(=O)[C@@H](CCOC)Cc2cccc(Br)c2)CCC1 ZINC000630000670 565879846 /nfs/dbraw/zinc/87/98/46/565879846.db2.gz PZSQHRRIEVQYNJ-HNNXBMFYSA-N 1 0 383.330 2.903 20 0 GFADRO C[C@@H](C(=O)NC[C@H](c1cccs1)[NH+](C)C)c1ccc(S(C)(=O)=O)cc1 ZINC000674665319 565880027 /nfs/dbraw/zinc/88/00/27/565880027.db2.gz RCGCIZJCYHZOTM-CZUORRHYSA-N 1 0 380.535 2.674 20 0 GFADRO CC(=O)Nc1cc(F)c(S(=O)(=O)N(C)CCCC[NH+](C)C)c(F)c1Cl ZINC000674719974 565881273 /nfs/dbraw/zinc/88/12/73/565881273.db2.gz ORANURCQEMCQLP-UHFFFAOYSA-N 1 0 397.875 2.539 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)c2c(F)cncc2Br)CC[C@@H]1C(F)(F)F ZINC000630092553 565881220 /nfs/dbraw/zinc/88/12/20/565881220.db2.gz RBWHOSOLFUNETJ-YUMQZZPRSA-N 1 0 384.171 2.583 20 0 GFADRO CC[NH+](CC)CCOCCNC(=O)[C@H]1CCOc2ccc(Br)cc21 ZINC000651721593 565888528 /nfs/dbraw/zinc/88/85/28/565888528.db2.gz JWYPZRZJENTYDU-HNNXBMFYSA-N 1 0 399.329 2.790 20 0 GFADRO Cc1ccc(NC(=O)[C@@H](C)n2cc(CSCC[NH3+])nn2)c(Br)c1 ZINC000603184479 565888720 /nfs/dbraw/zinc/88/87/20/565888720.db2.gz BFGWSILCFNGQAI-LLVKDONJSA-N 1 0 398.330 2.741 20 0 GFADRO [NH3+]CCSCc1cn(Cc2cccc(Br)c2OC(F)F)nn1 ZINC000603239887 565890918 /nfs/dbraw/zinc/89/09/18/565890918.db2.gz MKJPFJXSRFWVAW-UHFFFAOYSA-N 1 0 393.257 2.882 20 0 GFADRO COCC1(CS(=O)(=O)NC[C@@H](C[NH+](C)C)c2ccc(Cl)cc2)CCC1 ZINC000651764556 565891628 /nfs/dbraw/zinc/89/16/28/565891628.db2.gz FFNHHJASNDENHJ-INIZCTEOSA-N 1 0 388.961 2.721 20 0 GFADRO CC[C@H]([NH3+])c1cn(Cc2ccc(I)cc2Cl)nn1 ZINC000603243581 565892249 /nfs/dbraw/zinc/89/22/49/565892249.db2.gz CEJAYCMGXJAXBM-NSHDSACASA-N 1 0 376.629 2.994 20 0 GFADRO CCOC(=O)c1nc(N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)ccc1Br ZINC000603317241 565897986 /nfs/dbraw/zinc/89/79/86/565897986.db2.gz GTIQOHAPYAEJMU-OCCSQVGLSA-N 1 0 382.302 2.941 20 0 GFADRO COc1ccc(Br)cc1S(=O)(=O)N(C)CC[NH+]1CCCCC1 ZINC000651926909 565905131 /nfs/dbraw/zinc/90/51/31/565905131.db2.gz QPGFUMIAYOFZDT-UHFFFAOYSA-N 1 0 391.331 2.564 20 0 GFADRO CCOCCOc1ccc(Br)cc1C[NH2+]C[C@H]1CC(=O)N(CC)C1 ZINC000652001147 565909358 /nfs/dbraw/zinc/90/93/58/565909358.db2.gz NMTRXGLMMDWVPQ-CQSZACIVSA-N 1 0 399.329 2.822 20 0 GFADRO C[C@H](c1ccc(F)c(Br)c1)n1cc(CCN2CCC([NH3+])CC2)nn1 ZINC000630593652 565910733 /nfs/dbraw/zinc/91/07/33/565910733.db2.gz OSOBACPGGHJIQS-GFCCVEGCSA-N 1 0 396.308 2.755 20 0 GFADRO CCN1C[C@H](C[NH2+][C@@H](C)CC(=O)Nc2cccc(Br)c2)CC1=O ZINC000652016441 565911411 /nfs/dbraw/zinc/91/14/11/565911411.db2.gz ZVKBGQMQGUUXNT-STQMWFEESA-N 1 0 382.302 2.624 20 0 GFADRO C[NH+](C)CCn1cc(C(=O)NCCc2nc3cc(Cl)ccc3s2)cn1 ZINC000630622666 565912121 /nfs/dbraw/zinc/91/21/21/565912121.db2.gz AJCMRKSBJYMHMS-UHFFFAOYSA-N 1 0 377.901 2.680 20 0 GFADRO Cc1nc(Cc2ccccc2)sc1[C@H](C)[NH2+]CCCN(C)S(C)(=O)=O ZINC000675746936 565913836 /nfs/dbraw/zinc/91/38/36/565913836.db2.gz RRSOGXXZEUHSKO-AWEZNQCLSA-N 1 0 381.567 2.974 20 0 GFADRO C[N@@H+]1CCCN(CCCNC(=O)C(C)(C)c2cccc(Br)c2)CC1 ZINC000603897998 565918721 /nfs/dbraw/zinc/91/87/21/565918721.db2.gz FUDCVFLQPTYNDP-UHFFFAOYSA-N 1 0 396.373 2.871 20 0 GFADRO C[C@@H](CNC(=O)NCCC1CC[NH2+]CC1)Oc1ccccc1Br ZINC000652164674 565918750 /nfs/dbraw/zinc/91/87/50/565918750.db2.gz VXRRUJNONNZXLD-ZDUSSCGKSA-N 1 0 384.318 2.905 20 0 GFADRO CN1CCC([N@@H+]2CC[C@H](NC(=O)NCc3c(Cl)cccc3Cl)C2)CC1 ZINC000604184930 565924328 /nfs/dbraw/zinc/92/43/28/565924328.db2.gz KPDJNCMPFFWWPD-ZDUSSCGKSA-N 1 0 385.339 2.961 20 0 GFADRO Cc1cc(Br)sc1S(=O)(=O)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000652372010 565924537 /nfs/dbraw/zinc/92/45/37/565924537.db2.gz NHMQLPGKWIYJAH-NEPJUHHUSA-N 1 0 393.372 2.972 20 0 GFADRO Cc1cc(Br)sc1S(=O)(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000652368522 565924688 /nfs/dbraw/zinc/92/46/88/565924688.db2.gz HJDHYYLSPDDICH-HBNTYKKESA-N 1 0 379.345 2.567 20 0 GFADRO Cc1cc(S(=O)(=O)N2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)c(Cl)cc1F ZINC000652375707 565925575 /nfs/dbraw/zinc/92/55/75/565925575.db2.gz XWNNSJQKYOPZCG-ZENOOKHLSA-N 1 0 390.908 2.695 20 0 GFADRO CC(=O)Nc1cc(F)c(S(=O)(=O)N2CCC[C@@H](C)[C@@H]2CC[NH3+])cc1Cl ZINC000652377436 565926484 /nfs/dbraw/zinc/92/64/84/565926484.db2.gz HFSUPGQMCKFXHI-BMIGLBTASA-N 1 0 391.896 2.576 20 0 GFADRO C[C@H]1CCCN(S(=O)(=O)c2cccc(Br)c2F)[C@H]1CC[NH3+] ZINC000652378069 565926775 /nfs/dbraw/zinc/92/67/75/565926775.db2.gz XXHCMQNSEUIJJK-JQWIXIFHSA-N 1 0 379.295 2.726 20 0 GFADRO O=S(=O)(Cc1ccc(Cl)cc1Br)NCCC1CC[NH2+]CC1 ZINC000652384587 565927461 /nfs/dbraw/zinc/92/74/61/565927461.db2.gz GGGVTJICTDTIDR-UHFFFAOYSA-N 1 0 395.750 2.912 20 0 GFADRO O=S(=O)(NCCC1CC[NH2+]CC1)c1cc(Cl)ccc1Br ZINC000652384786 565927807 /nfs/dbraw/zinc/92/78/07/565927807.db2.gz NKGVAXQJWMKSAG-UHFFFAOYSA-N 1 0 381.723 2.771 20 0 GFADRO CC(C)Oc1cc(C(=O)N[C@H]2CCC[N@H+](CCCO)C2)ccc1Br ZINC000652390429 565928348 /nfs/dbraw/zinc/92/83/48/565928348.db2.gz PFKNRSMHFIWLMQ-HNNXBMFYSA-N 1 0 399.329 2.813 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)c(Br)c1 ZINC000676271826 565930865 /nfs/dbraw/zinc/93/08/65/565930865.db2.gz NQEFJDHEJXJKEC-CQSZACIVSA-N 1 0 394.313 2.701 20 0 GFADRO O=C(CCc1ccc(Br)cc1F)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000676343740 565931880 /nfs/dbraw/zinc/93/18/80/565931880.db2.gz XABKBUVRTYMOMH-MRXNPFEDSA-N 1 0 399.304 2.890 20 0 GFADRO Cc1cc(Br)cc(C)c1S(=O)(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000604766510 565936790 /nfs/dbraw/zinc/93/67/90/565936790.db2.gz WODLRIVRTDILOL-CQSZACIVSA-N 1 0 375.332 2.781 20 0 GFADRO C[C@H](CNC(=O)C(=O)N1CCC(CC[NH3+])CC1)c1c(Cl)cccc1Cl ZINC000652684283 565937012 /nfs/dbraw/zinc/93/70/12/565937012.db2.gz JRSDQAZQCAUBFD-GFCCVEGCSA-N 1 0 386.323 2.801 20 0 GFADRO C[C@@H](CN1CCN(c2ccccn2)CC1)[NH2+]Cc1ccncc1Br ZINC000631075030 565937746 /nfs/dbraw/zinc/93/77/46/565937746.db2.gz NIYRFJWOSTXMNO-HNNXBMFYSA-N 1 0 390.329 2.539 20 0 GFADRO C[C@@H](Cc1ccc(F)c(Br)c1)[NH2+]Cc1cn(C[C@H]2CCOC2)nn1 ZINC000631088920 565939921 /nfs/dbraw/zinc/93/99/21/565939921.db2.gz IQVJEMXJFKFBIK-GXTWGEPZSA-N 1 0 397.292 2.937 20 0 GFADRO O=S1(=O)CC[C@@]2(C1)C[C@H]([NH2+]Cc1ccc(CC(F)(F)F)cc1)CCO2 ZINC000631108812 565941296 /nfs/dbraw/zinc/94/12/96/565941296.db2.gz TVPZNLFURGQTPT-CVEARBPZSA-N 1 0 377.428 2.617 20 0 GFADRO O=C(CCn1cc(Br)cn1)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000676507450 565941682 /nfs/dbraw/zinc/94/16/82/565941682.db2.gz UASFKQSWIPLHQA-CZUORRHYSA-N 1 0 381.318 2.511 20 0 GFADRO C[C@H](NCc1ccc(Cl)c(S(N)(=O)=O)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000631109535 565941781 /nfs/dbraw/zinc/94/17/81/565941781.db2.gz FTHWFKPCDFUQOA-ZFWWWQNUSA-N 1 0 385.961 2.730 20 0 GFADRO O=C(COc1ccccc1)N1CC[C@@H]([NH2+]Cc2ccncc2Br)C1 ZINC000631130062 565942361 /nfs/dbraw/zinc/94/23/61/565942361.db2.gz UCHUMLRMWXTROT-OAHLLOKOSA-N 1 0 390.281 2.614 20 0 GFADRO CC[C@@H](Cc1cccc(Br)c1)C(=O)N[C@@H]1CC[N@H+](CCOC)C1 ZINC000604976869 565942828 /nfs/dbraw/zinc/94/28/28/565942828.db2.gz HNASIFPYGLLLAN-DOTOQJQBSA-N 1 0 383.330 2.855 20 0 GFADRO CC[C@H](Cc1cccc(Br)c1)C(=O)N[C@@H]1CC[N@H+](CCOC)C1 ZINC000604976870 565943015 /nfs/dbraw/zinc/94/30/15/565943015.db2.gz HNASIFPYGLLLAN-NVXWUHKLSA-N 1 0 383.330 2.855 20 0 GFADRO C[NH+](C)CCCOc1cnccc1CNCc1ccncc1Br ZINC000631141854 565944296 /nfs/dbraw/zinc/94/42/96/565944296.db2.gz JNDANRVJIOZXRC-UHFFFAOYSA-N 1 0 379.302 2.859 20 0 GFADRO COCCc1ncc(C[NH2+][C@@H]2CCCN(C(=O)CCC(F)(F)F)C2)s1 ZINC000631136940 565944605 /nfs/dbraw/zinc/94/46/05/565944605.db2.gz SNOGVUVIIIXRMH-GFCCVEGCSA-N 1 0 379.448 2.755 20 0 GFADRO Cc1nc2cc(Br)cc(NC(=O)N[C@@H](C)[C@@H]3CN(C)CCO3)c2o1 ZINC000652940316 565947292 /nfs/dbraw/zinc/94/72/92/565947292.db2.gz LVYWVCTZQYADIR-XPTSAGLGSA-N 1 0 397.273 2.739 20 0 GFADRO Cc1c(Br)csc1C(=O)NCC1CC[NH+](CCN(C)C)CC1 ZINC000631284927 565951802 /nfs/dbraw/zinc/95/18/02/565951802.db2.gz LOKKSNDSRKNNMZ-UHFFFAOYSA-N 1 0 388.375 2.822 20 0 GFADRO C[NH+](C)CC[C@@H](N)C(=O)Nc1ncc(Cc2ccc(Br)cc2)s1 ZINC000653062840 565953286 /nfs/dbraw/zinc/95/32/86/565953286.db2.gz LYIJUHWGBWEABB-CQSZACIVSA-N 1 0 397.342 2.714 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CCNC(=O)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653082001 565953894 /nfs/dbraw/zinc/95/38/94/565953894.db2.gz FYMZZGQFGONXAN-HOTGVXAUSA-N 1 0 394.313 2.733 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(C(=O)c3cc(Br)ccc3F)C2)C1 ZINC000653190893 565958639 /nfs/dbraw/zinc/95/86/39/565958639.db2.gz PMZMSJIFLLGNET-GHJWDPDVSA-N 1 0 385.277 2.947 20 0 GFADRO O=C([C@@H]1C[C@H]1c1cccc(Br)c1)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000653226955 565959566 /nfs/dbraw/zinc/95/95/66/565959566.db2.gz LLASDZFHXSDTIN-MLHJIOFPSA-N 1 0 393.325 2.610 20 0 GFADRO C[N@@H+]1CCC[C@@H](NC(=O)[C@H](c2cc(Cl)cc(Cl)c2)N2CCOCC2)C1 ZINC000677087613 565960407 /nfs/dbraw/zinc/96/04/07/565960407.db2.gz ZBDAJCACNOEHPZ-SJORKVTESA-N 1 0 386.323 2.577 20 0 GFADRO CC(C)c1n[nH]c(C(=O)N2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)c1Br ZINC000653262531 565960571 /nfs/dbraw/zinc/96/05/71/565960571.db2.gz FNRSGQSXADNNON-XQQFMLRXSA-N 1 0 399.333 2.797 20 0 GFADRO CCO[C@@H]1CN(C(=O)c2cc(C)nc3ccc(Br)cc32)C[C@H]1C[NH3+] ZINC000653247318 565960700 /nfs/dbraw/zinc/96/07/00/565960700.db2.gz WHQJXCYFYHTFMU-SJKOYZFVSA-N 1 0 392.297 2.742 20 0 GFADRO CCO[C@@H]1CN(C(=O)CCCOc2ccc(Cl)cc2Cl)C[C@H]1C[NH3+] ZINC000653244166 565960738 /nfs/dbraw/zinc/96/07/38/565960738.db2.gz ZVTNNEFWXVXSHN-MLGOLLRUSA-N 1 0 375.296 2.975 20 0 GFADRO CCO[C@@H]1CN(C(=O)[C@@H](CC)Cc2ccccc2Br)C[C@H]1C[NH3+] ZINC000653247274 565960752 /nfs/dbraw/zinc/96/07/52/565960752.db2.gz UHFYGSWWOKVPKH-YSVLISHTSA-N 1 0 383.330 2.840 20 0 GFADRO CCO[C@@H]1CN(C(=O)CCCCc2ccc(Br)cc2)C[C@H]1C[NH3+] ZINC000653245958 565960763 /nfs/dbraw/zinc/96/07/63/565960763.db2.gz VQSVLFPLUALYED-NVXWUHKLSA-N 1 0 383.330 2.984 20 0 GFADRO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCCN2C(=O)Cc2ccc(Br)cc2)C1 ZINC000653267949 565961335 /nfs/dbraw/zinc/96/13/35/565961335.db2.gz YQXAGISUFHWBIZ-BRWVUGGUSA-N 1 0 381.314 2.879 20 0 GFADRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)c2c(F)cncc2Br)C1 ZINC000631600235 565964007 /nfs/dbraw/zinc/96/40/07/565964007.db2.gz OXGDCVWXXLUGQM-GFCCVEGCSA-N 1 0 388.281 2.556 20 0 GFADRO COc1cccc([C@@H](CNS(=O)(=O)CCC(C)(F)F)[NH+]2CCCC2)c1 ZINC000631659371 565966321 /nfs/dbraw/zinc/96/63/21/565966321.db2.gz CPTMFBVOXZKENY-MRXNPFEDSA-N 1 0 376.469 2.797 20 0 GFADRO O=C(NCCC[NH+]1CCCC1)N1CCOc2cccc(Br)c2C1 ZINC000653479981 565967362 /nfs/dbraw/zinc/96/73/62/565967362.db2.gz LKKHDINSXRPFOH-UHFFFAOYSA-N 1 0 382.302 2.839 20 0 GFADRO O=C(NCc1n[nH]cc1Br)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000606514002 565967664 /nfs/dbraw/zinc/96/76/64/565967664.db2.gz CMWFEEBGXKPMPV-UHFFFAOYSA-N 1 0 392.301 2.590 20 0 GFADRO O[C@H](C[NH2+]Cc1cn2cccc(F)c2n1)COc1ccccc1Br ZINC000677320807 565970670 /nfs/dbraw/zinc/97/06/70/565970670.db2.gz ASCKZDDGXMMUHV-CYBMUJFWSA-N 1 0 394.244 2.765 20 0 GFADRO C[C@@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH2+][C@@H]1COCC[C@H]1O ZINC000631748616 565971237 /nfs/dbraw/zinc/97/12/37/565971237.db2.gz BOKDSICILLIBIR-CUOATXAZSA-N 1 0 380.794 2.815 20 0 GFADRO COCC[N@@H+]1CCC[C@H](NC(=O)CCc2cc(Br)ccc2F)C1 ZINC000677542125 565976662 /nfs/dbraw/zinc/97/66/62/565976662.db2.gz WBWAPDVIPCWDNX-HNNXBMFYSA-N 1 0 387.293 2.748 20 0 GFADRO O[C@H](COc1ccc(Cl)c(Cl)c1)C[N@@H+]1CCC[C@H](N2CCOCC2)C1 ZINC000653718001 565978940 /nfs/dbraw/zinc/97/89/40/565978940.db2.gz XJXIFHGMHKVBEI-GJZGRUSLSA-N 1 0 389.323 2.530 20 0 GFADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3ccc4cncc(Br)c4n3)CC[C@@H]21 ZINC000631882076 565980052 /nfs/dbraw/zinc/98/00/52/565980052.db2.gz QEUFDQZEFYBHBA-CJNGLKHVSA-N 1 0 389.297 2.949 20 0 GFADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3cc(Br)c4nccn4c3)CC[C@@H]21 ZINC000631881818 565980073 /nfs/dbraw/zinc/98/00/73/565980073.db2.gz JWDISEOVRBWIHC-DOMZBBRYSA-N 1 0 377.286 2.653 20 0 GFADRO NC(=O)[C@@H](c1ccc(Br)cc1F)N1C[C@H](C[NH3+])Cc2ccccc21 ZINC000631893506 565981034 /nfs/dbraw/zinc/98/10/34/565981034.db2.gz SSGWDVYRFAUQMM-APPDUMDISA-N 1 0 392.272 2.752 20 0 GFADRO CN(Cc1cc(Br)cs1)C(=O)CN1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631888508 565981059 /nfs/dbraw/zinc/98/10/59/565981059.db2.gz WQONKALUZKYLLK-DOMZBBRYSA-N 1 0 386.359 2.543 20 0 GFADRO Cc1ccc(Br)c(NC(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)c1 ZINC000677777345 565983499 /nfs/dbraw/zinc/98/34/99/565983499.db2.gz CPGFRZKIRKPNLQ-CQSZACIVSA-N 1 0 394.313 2.783 20 0 GFADRO O=c1[nH]c2ccc(S(=O)(=O)NCCCCC[NH+]3CCCCC3)cc2s1 ZINC000631942895 565984450 /nfs/dbraw/zinc/98/44/50/565984450.db2.gz IQOSRCOUAAHRNK-UHFFFAOYSA-N 1 0 383.539 2.936 20 0 GFADRO O=C(Nc1ccc(C[NH+]2CCC(O)CC2)cc1)c1cc(Br)c[nH]1 ZINC000677837666 565984351 /nfs/dbraw/zinc/98/43/51/565984351.db2.gz RUBLIMNIVHQTIV-UHFFFAOYSA-N 1 0 378.270 2.986 20 0 GFADRO O=S(=O)(N[C@@H]1CC12CC[NH2+]CC2)c1ccc(C(F)(F)C(F)(F)F)cc1 ZINC000631939000 565984521 /nfs/dbraw/zinc/98/45/21/565984521.db2.gz QNOBFWQVPRSFIM-GFCCVEGCSA-N 1 0 384.370 2.761 20 0 GFADRO O=S(=O)(c1cscc1Br)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000631940659 565984722 /nfs/dbraw/zinc/98/47/22/565984722.db2.gz DCQHRVMLGBXGDV-GHMZBOCLSA-N 1 0 379.345 2.521 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+]C1(CCO)CCOCC1 ZINC000677850655 565985620 /nfs/dbraw/zinc/98/56/20/565985620.db2.gz ABANHZOTRMIMSO-UHFFFAOYSA-N 1 0 394.313 2.964 20 0 GFADRO COc1ccc(Br)cc1C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000607644781 565986220 /nfs/dbraw/zinc/98/62/20/565986220.db2.gz ZBHKSIXUWIVCDS-UHFFFAOYSA-N 1 0 397.313 2.833 20 0 GFADRO CC[C@@H]1CCCC[N@@H+]1CCNS(=O)(=O)Cc1ncsc1Br ZINC000631962503 565986484 /nfs/dbraw/zinc/98/64/84/565986484.db2.gz LKOMJWTVPQESFN-LLVKDONJSA-N 1 0 396.376 2.590 20 0 GFADRO C[NH+](C)CC[C@H](NS(=O)(=O)Cc1ncsc1Br)C(C)(C)C ZINC000631981098 565988045 /nfs/dbraw/zinc/98/80/45/565988045.db2.gz VKMRYRBMPNYBMN-NSHDSACASA-N 1 0 398.392 2.691 20 0 GFADRO COc1cc(C)c(Br)cc1S(=O)(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000631976435 565988222 /nfs/dbraw/zinc/98/82/22/565988222.db2.gz WIMXIXOXILLISR-HAQNSBGRSA-N 1 0 391.331 2.562 20 0 GFADRO COCC[N@@H+]1CCC[C@H](NC(=O)[C@H](C)Cc2ccc(Br)cc2)C1 ZINC000677964864 565989521 /nfs/dbraw/zinc/98/95/21/565989521.db2.gz IXZXDPNQAWSOTG-PBHICJAKSA-N 1 0 383.330 2.855 20 0 GFADRO C[C@@H](c1ccccc1Br)N1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000678083291 565998311 /nfs/dbraw/zinc/99/83/11/565998311.db2.gz ZHVUYAFQCJIYHG-SUMWQHHRSA-N 1 0 380.330 2.924 20 0 GFADRO CC[N@H+](C)C[C@H]1CCN(S(=O)(=O)Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000608049519 566001107 /nfs/dbraw/zinc/00/11/07/566001107.db2.gz IWHRJNDSZPUMHI-CQSZACIVSA-N 1 0 380.432 2.689 20 0 GFADRO CC[C@H](Cc1ccccc1Br)[NH2+]C1CCN(S(C)(=O)=O)CC1 ZINC000678598904 566014953 /nfs/dbraw/zinc/01/49/53/566014953.db2.gz VHELHCXENGZUKW-CQSZACIVSA-N 1 0 389.359 2.784 20 0 GFADRO CCC(C)(C)[NH+]1CCN(C(=O)N[C@@H](C)c2ncc(Br)cn2)CC1 ZINC000654573788 566015607 /nfs/dbraw/zinc/01/56/07/566015607.db2.gz OFFOTGJDUODARJ-LBPRGKRZSA-N 1 0 384.322 2.816 20 0 GFADRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)N2CCO[C@@H](c3cccc(Br)c3)C2)C1 ZINC000654658295 566018417 /nfs/dbraw/zinc/01/84/17/566018417.db2.gz HUEQAAXJEQDNAO-XOKHGSTOSA-N 1 0 396.329 2.872 20 0 GFADRO C[C@H]1CC[N@H+](CCNC(=O)c2cc(=O)[nH]c3ccc(Br)cc32)C1 ZINC000608613853 566020105 /nfs/dbraw/zinc/02/01/05/566020105.db2.gz FQEPAAVOIQLQRJ-NSHDSACASA-N 1 0 378.270 2.775 20 0 GFADRO CO[C@H](C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1)c1ccccc1Br ZINC000654899243 566028102 /nfs/dbraw/zinc/02/81/02/566028102.db2.gz FIRMYSYIGRPFDU-YOEHRIQHSA-N 1 0 397.313 2.506 20 0 GFADRO CN1C(=O)N[C@]2(CCC[C@@H]2C[NH2+][C@H]2CCc3cc(Br)ccc32)C1=O ZINC000679063210 566028892 /nfs/dbraw/zinc/02/88/92/566028892.db2.gz FVGGDYDETJTHAS-MRAWALMUSA-N 1 0 392.297 2.747 20 0 GFADRO CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1sc(C)cc1Br ZINC000632407663 566029815 /nfs/dbraw/zinc/02/98/15/566029815.db2.gz BBDXVJKBQMZOMG-UHFFFAOYSA-N 1 0 381.361 2.924 20 0 GFADRO Cc1c(Br)cccc1NC(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000654945835 566031596 /nfs/dbraw/zinc/03/15/96/566031596.db2.gz FYBNOVPRTFJIDJ-HZPDHXFCSA-N 1 0 394.313 2.829 20 0 GFADRO CC[NH+](CC)CC[C@H](CO)NC(=O)[C@H]1CCc2cc(Br)ccc21 ZINC000655049623 566037778 /nfs/dbraw/zinc/03/77/78/566037778.db2.gz QKZZDHMOONPFPH-WBVHZDCISA-N 1 0 383.330 2.688 20 0 GFADRO COCCN1CC[C@H]([NH2+][C@@H](c2ccc(Br)cc2)[C@H]2CCCO2)C1 ZINC000679341097 566037986 /nfs/dbraw/zinc/03/79/86/566037986.db2.gz JNMJHIVLNYDLJJ-KSZLIROESA-N 1 0 383.330 2.980 20 0 GFADRO COc1cc(Br)c(F)cc1S(=O)(=O)N(C)CCCC[NH+](C)C ZINC000679466351 566043404 /nfs/dbraw/zinc/04/34/04/566043404.db2.gz CPYVYLNVAIBSHE-UHFFFAOYSA-N 1 0 397.310 2.559 20 0 GFADRO C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@@H]2c2ccccc2I)C1 ZINC000609610208 566046919 /nfs/dbraw/zinc/04/69/19/566046919.db2.gz TWVPYVNOSCUHIW-IUODEOHRSA-N 1 0 384.261 2.906 20 0 GFADRO COC(=O)[C@@H]1CC12CC[NH+](Cc1cc3c(cc1Br)OCO3)CC2 ZINC000609617520 566047830 /nfs/dbraw/zinc/04/78/30/566047830.db2.gz UFRXZQJHJNCEBE-LBPRGKRZSA-N 1 0 382.254 2.953 20 0 GFADRO O[C@H](COc1ccc(Br)cc1)C[N@@H+]1CCC[C@@H](OC(F)F)C1 ZINC000679676271 566048532 /nfs/dbraw/zinc/04/85/32/566048532.db2.gz ICLPGUIGOXMOKN-GXTWGEPZSA-N 1 0 380.229 2.892 20 0 GFADRO O[C@@H](COc1ccc(Br)cc1)C[N@@H+]1CCC[C@H](OC(F)F)C1 ZINC000679676320 566049082 /nfs/dbraw/zinc/04/90/82/566049082.db2.gz ICLPGUIGOXMOKN-OCCSQVGLSA-N 1 0 380.229 2.892 20 0 GFADRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)[C@@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)C1 ZINC000655246601 566049646 /nfs/dbraw/zinc/04/96/46/566049646.db2.gz LZDOPMNNKLRUNN-YUTCNCBUSA-N 1 0 384.307 2.803 20 0 GFADRO CC(C)(COc1cc(Cl)cc(Cl)c1)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000655295936 566050370 /nfs/dbraw/zinc/05/03/70/566050370.db2.gz QQYRRQQSMVNXQA-LSDHHAIUSA-N 1 0 387.307 2.676 20 0 GFADRO O=S(=O)(Nc1ccccc1)[C@@H]1CCC[N@@H+](CCCOCC(F)(F)F)C1 ZINC000679825532 566053633 /nfs/dbraw/zinc/05/36/33/566053633.db2.gz AGCKCZHMPCPGIE-OAHLLOKOSA-N 1 0 380.432 2.862 20 0 GFADRO CCNC(=O)C[N@H+](C)CCCC(=O)Nc1c(C)cc(Br)cc1C ZINC000679815169 566053987 /nfs/dbraw/zinc/05/39/87/566053987.db2.gz AXUZJLYJHORHSM-UHFFFAOYSA-N 1 0 384.318 2.853 20 0 GFADRO O=C(C[C@H]1CCC[NH2+]C1)N1CCN(C(=O)c2cc3sccc3s2)CC1 ZINC000655441227 566057243 /nfs/dbraw/zinc/05/72/43/566057243.db2.gz DRWQPOPEBDMPDL-CYBMUJFWSA-N 1 0 377.535 2.637 20 0 GFADRO CO[C@@H](C(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1)c1ccccc1Br ZINC000655461371 566057611 /nfs/dbraw/zinc/05/76/11/566057611.db2.gz AUEKGUCDLHLLHM-RHSMWYFYSA-N 1 0 381.314 2.985 20 0 GFADRO O=C(N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC000655472755 566058136 /nfs/dbraw/zinc/05/81/36/566058136.db2.gz ZYRCKMSWYFUEEE-CDHAZOANSA-N 1 0 382.291 2.605 20 0 GFADRO CC[NH+]1CCC(NS(=O)(=O)Cc2cccc(Br)c2C)CC1 ZINC000655474840 566058724 /nfs/dbraw/zinc/05/87/24/566058724.db2.gz NCUFWXLACSJBBC-UHFFFAOYSA-N 1 0 375.332 2.661 20 0 GFADRO C[C@H](Oc1ccc(Cl)cc1Br)C(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000655508118 566060998 /nfs/dbraw/zinc/06/09/98/566060998.db2.gz BLCZXAVLTCMLSE-WKEGUHRASA-N 1 0 389.599 2.876 20 0 GFADRO COc1cc(Br)ccc1[C@@H](C)NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC000632717039 566061638 /nfs/dbraw/zinc/06/16/38/566061638.db2.gz FGMKTPDWCCIONY-GFCCVEGCSA-N 1 0 395.301 2.707 20 0 GFADRO C[C@@H](NC(=O)c1ccc(Br)s1)C(=O)Nc1cc(N(C)C)cc[nH+]1 ZINC000680258427 566065840 /nfs/dbraw/zinc/06/58/40/566065840.db2.gz KDGUIYAIOHDSGJ-SECBINFHSA-N 1 0 397.298 2.729 20 0 GFADRO C[C@@H]1C[N@@H+](CCCNc2ncccc2I)C[C@H](C)O1 ZINC000610129275 566066758 /nfs/dbraw/zinc/06/67/58/566066758.db2.gz VHJXOAXRCUTPLZ-TXEJJXNPSA-N 1 0 375.254 2.597 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)c2cc(F)ccc2I)CC[N@@H+]1C ZINC000610209598 566071633 /nfs/dbraw/zinc/07/16/33/566071633.db2.gz UCAPOGCAUJVILH-MWLCHTKSSA-N 1 0 376.213 2.643 20 0 GFADRO Cn1nc2cc(Br)ccc2c1C(=O)N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000632865886 566071996 /nfs/dbraw/zinc/07/19/96/566071996.db2.gz WYXWSSQXJBVXCD-NHYWBVRUSA-N 1 0 377.286 2.550 20 0 GFADRO O=C(Nc1ccc(Cl)c(Br)c1)N1CCC([NH2+]CCO)CC1 ZINC000632919532 566073858 /nfs/dbraw/zinc/07/38/58/566073858.db2.gz CBESSLQRQDXHQV-UHFFFAOYSA-N 1 0 376.682 2.681 20 0 GFADRO Cc1c(Br)cccc1CS(=O)(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655632150 566074547 /nfs/dbraw/zinc/07/45/47/566074547.db2.gz HDVLBQZYCYQEFG-XBXGTLAGSA-N 1 0 375.332 2.517 20 0 GFADRO CCOCCOc1ccc(Br)cc1NC(=O)N1C[C@H]([NH3+])C[C@@H]1C ZINC000632931003 566075242 /nfs/dbraw/zinc/07/52/42/566075242.db2.gz RRORJNYKRNPGQY-WCQYABFASA-N 1 0 386.290 2.818 20 0 GFADRO Cc1cc(Br)c(Cl)cc1NC(=O)N1CCC([NH2+]CCO)CC1 ZINC000632955189 566076091 /nfs/dbraw/zinc/07/60/91/566076091.db2.gz NMEJNKZZDDTVKA-UHFFFAOYSA-N 1 0 390.709 2.989 20 0 GFADRO COc1cc(Cl)c(S(=O)(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1OC ZINC000655667839 566079977 /nfs/dbraw/zinc/07/99/77/566079977.db2.gz JLJHGYHRGKQDMO-ZIAGYGMSSA-N 1 0 388.917 2.652 20 0 GFADRO Cc1c(Br)cccc1NC(=O)C(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000633045793 566080486 /nfs/dbraw/zinc/08/04/86/566080486.db2.gz OMWCTKOGPPOKKM-GFCCVEGCSA-N 1 0 382.302 2.590 20 0 GFADRO O=S(=O)(N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1cc(F)ccc1Br ZINC000655668140 566080431 /nfs/dbraw/zinc/08/04/31/566080431.db2.gz BLBXEJCDDQTGAN-KGLIPLIRSA-N 1 0 391.306 2.883 20 0 GFADRO Cc1cc(NC(=O)C(=O)N[C@@H]2CC[NH2+]CC(C)(C)C2)cc(C)c1Br ZINC000633044719 566080816 /nfs/dbraw/zinc/08/08/16/566080816.db2.gz BKLXBBYDLZCIOD-CYBMUJFWSA-N 1 0 396.329 2.899 20 0 GFADRO Brc1ccc(N2CC[C@H]([NH2+]C3CCN([C@@H]4CCOC4)CC3)C2)cc1 ZINC000655709403 566083060 /nfs/dbraw/zinc/08/30/60/566083060.db2.gz ZCBDCZQVQKEZTN-PKOBYXMFSA-N 1 0 394.357 2.871 20 0 GFADRO Cc1nn(-c2cccc(Br)c2)cc1C[NH2+]CCNC(=O)C(C)C ZINC000655713525 566083733 /nfs/dbraw/zinc/08/37/33/566083733.db2.gz PVQKLPVYNDKEKL-UHFFFAOYSA-N 1 0 379.302 2.805 20 0 GFADRO COCCN1CC[C@H]([NH2+]Cc2cn(-c3ccccc3Br)nc2C)C1 ZINC000655732667 566085084 /nfs/dbraw/zinc/08/50/84/566085084.db2.gz DUUUDLLGUVCAKE-INIZCTEOSA-N 1 0 393.329 2.754 20 0 GFADRO Cc1nn(-c2cccc(Br)c2)cc1C[NH2+]C[C@H](O)C1CCOCC1 ZINC000655745409 566085099 /nfs/dbraw/zinc/08/50/99/566085099.db2.gz QIBLVVXPHSVWRN-SFHVURJKSA-N 1 0 394.313 2.820 20 0 GFADRO CCn1cnnc1CC[NH2+]Cc1cn(-c2cccc(Br)c2)nc1C ZINC000655737535 566085820 /nfs/dbraw/zinc/08/58/20/566085820.db2.gz CFFMTZQXYMCZIW-UHFFFAOYSA-N 1 0 389.301 2.887 20 0 GFADRO Cc1nn(-c2cccc(Br)c2)cc1C[NH2+]C[C@]1(O)CCO[C@@H]1C ZINC000655767943 566086974 /nfs/dbraw/zinc/08/69/74/566086974.db2.gz ALJSIDCTBYCAFS-CXAGYDPISA-N 1 0 380.286 2.573 20 0 GFADRO CCN(C)C(=O)[C@H](C)[NH2+]Cc1cn(-c2cccc(Br)c2)nc1C ZINC000655766376 566087508 /nfs/dbraw/zinc/08/75/08/566087508.db2.gz PTZYSDODBAGHCU-ZDUSSCGKSA-N 1 0 379.302 2.900 20 0 GFADRO Cc1nn(-c2cccc(Br)c2)cc1C[NH2+]C[C@]1(O)CCO[C@H]1C ZINC000655767946 566087701 /nfs/dbraw/zinc/08/77/01/566087701.db2.gz ALJSIDCTBYCAFS-SUMWQHHRSA-N 1 0 380.286 2.573 20 0 GFADRO C[N@@H+]1CCC[C@H](N2CCN(Cc3cc(Br)cc4c3OCC4)CC2)C1 ZINC000680933649 566087954 /nfs/dbraw/zinc/08/79/54/566087954.db2.gz BQYWCOCPTKOWBQ-SFHVURJKSA-N 1 0 394.357 2.596 20 0 GFADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)CCn1cc(Br)cn1 ZINC000680910285 566088065 /nfs/dbraw/zinc/08/80/65/566088065.db2.gz PUKSUNBVEKCALE-RHSMWYFYSA-N 1 0 391.313 2.672 20 0 GFADRO Cc1nn(-c2ccccc2Br)cc1C[NH2+]C[C@@]1(C)CCC(=O)N1 ZINC000655791937 566090196 /nfs/dbraw/zinc/09/01/96/566090196.db2.gz HLOUJBDXMNCYPQ-QGZVFWFLSA-N 1 0 377.286 2.702 20 0 GFADRO CCC1([NH+](C)C)CCN(C(=O)NCCCn2cc(Br)cn2)CC1 ZINC000633243874 566092130 /nfs/dbraw/zinc/09/21/30/566092130.db2.gz VGNGOBAIJCYYKW-UHFFFAOYSA-N 1 0 386.338 2.552 20 0 GFADRO O[C@H]1Cc2ccccc2[C@@H]1[NH2+]Cc1cc(Br)c2c(c1)OCCO2 ZINC000655845739 566092517 /nfs/dbraw/zinc/09/25/17/566092517.db2.gz SSNKQKFXMVMYFJ-RDJZCZTQSA-N 1 0 376.250 2.968 20 0 GFADRO [NH3+]C[C@H](NC(=O)N(CCCO)Cc1ccc(Cl)c(Cl)c1)C(F)(F)F ZINC000655915921 566095254 /nfs/dbraw/zinc/09/52/54/566095254.db2.gz SBDQSECGKATFIH-LBPRGKRZSA-N 1 0 388.217 2.777 20 0 GFADRO C[C@H](c1ccccc1Cl)N1CCN(C(=O)N[C@@H](C[NH3+])C(F)(F)F)CC1 ZINC000655911990 566095537 /nfs/dbraw/zinc/09/55/37/566095537.db2.gz QDPUSCKVIMZOQW-RISCZKNCSA-N 1 0 378.826 2.618 20 0 GFADRO [NH3+]C[C@H](NC(=O)N[C@@H](CO)c1ccc(Cl)cc1C(F)(F)F)C(F)(F)F ZINC000655927412 566096084 /nfs/dbraw/zinc/09/60/84/566096084.db2.gz IRTMIWQZAGAJCR-UWVGGRQHSA-N 1 0 393.715 2.581 20 0 GFADRO [NH3+]C[C@@H](NC(=O)N1CCc2c(Br)ccc(F)c2C1)C(F)(F)F ZINC000655923866 566096603 /nfs/dbraw/zinc/09/66/03/566096603.db2.gz CRAZIQCIZSDUBJ-LLVKDONJSA-N 1 0 384.171 2.546 20 0 GFADRO COc1cc(Br)ccc1[C@H](C)NC(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000655929907 566096656 /nfs/dbraw/zinc/09/66/56/566096656.db2.gz XLIPIZPNDYYMBC-CPCISQLKSA-N 1 0 384.196 2.708 20 0 GFADRO CN(CCCC[NH+](C)C)C(=O)c1cc(F)c(F)cc1I ZINC000610759401 566097236 /nfs/dbraw/zinc/09/72/36/566097236.db2.gz DSTXGGWAYXTVBR-UHFFFAOYSA-N 1 0 396.219 2.983 20 0 GFADRO CC[NH+]1CCN(CC(C)(C)NC(=O)c2scc(Br)c2C)CC1 ZINC000633362728 566098902 /nfs/dbraw/zinc/09/89/02/566098902.db2.gz QUMJNVNPCJDABG-UHFFFAOYSA-N 1 0 388.375 2.965 20 0 GFADRO C[C@@H](NC(=O)c1ccc(F)c(I)c1)C1CC[NH+](C)CC1 ZINC000610785648 566099183 /nfs/dbraw/zinc/09/91/83/566099183.db2.gz OOSRDOUSWNPNHS-SNVBAGLBSA-N 1 0 390.240 2.890 20 0 GFADRO COc1cc(C[NH+](C)C)ccc1NC(=O)Cc1cc[nH]c(=O)c1Br ZINC000633376277 566099565 /nfs/dbraw/zinc/09/95/65/566099565.db2.gz QZTNEKALASWPEC-UHFFFAOYSA-N 1 0 394.269 2.801 20 0 GFADRO Cc1ccc(CCC(=O)NCCCN2CCC[N@@H+](C)CC2)c(Br)c1 ZINC000681274192 566100461 /nfs/dbraw/zinc/10/04/61/566100461.db2.gz FRNAJQQQHXRLQM-UHFFFAOYSA-N 1 0 396.373 2.834 20 0 GFADRO COC(=O)[C@H](c1cc(Cl)cc(Cl)c1)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000610787696 566100468 /nfs/dbraw/zinc/10/04/68/566100468.db2.gz BYWSBSVOOMEVFK-ZACQAIPSSA-N 1 0 387.307 2.739 20 0 GFADRO C[C@@H](NC(=O)C(=O)NCCCc1c(Cl)cccc1Cl)[C@@H]1CCC[NH2+]C1 ZINC000656019771 566100925 /nfs/dbraw/zinc/10/09/25/566100925.db2.gz JGAJTVKIHSGJIX-CHWSQXEVSA-N 1 0 386.323 2.547 20 0 GFADRO C[NH+]1CCN(c2ncccc2CNc2ncc(Br)cc2F)CC1 ZINC000681379675 566103396 /nfs/dbraw/zinc/10/33/96/566103396.db2.gz PDBGXEVNKUNVFQ-UHFFFAOYSA-N 1 0 380.265 2.742 20 0 GFADRO C[C@@H](C[NH2+]C[C@@H](O)COc1cc(Cl)ccc1Cl)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656153681 566106689 /nfs/dbraw/zinc/10/66/89/566106689.db2.gz ZVBYVLQRKWRIKB-TTZDDIAXSA-N 1 0 391.339 2.820 20 0 GFADRO O=C(Cc1cccc(Br)c1)N1CCc2[nH]cnc2C12CCOCC2 ZINC000633526861 566108013 /nfs/dbraw/zinc/10/80/13/566108013.db2.gz XZGCOBMASILNRE-UHFFFAOYSA-N 1 0 390.281 2.805 20 0 GFADRO C[NH+](C)CC1CCN(C(=O)c2cccc(F)c2I)CC1 ZINC000611001982 566109354 /nfs/dbraw/zinc/10/93/54/566109354.db2.gz SCGAPNGGUGJACD-UHFFFAOYSA-N 1 0 390.240 2.844 20 0 GFADRO CC(C)C[NH+]1CCN(C(=O)c2cccc(F)c2I)CC1 ZINC000611002442 566109980 /nfs/dbraw/zinc/10/99/80/566109980.db2.gz JDDKBZRXYYCJCW-UHFFFAOYSA-N 1 0 390.240 2.844 20 0 GFADRO C[NH+](C)CCCNC(=O)N1CCO[C@H](c2ccc(F)c(Br)c2)C1 ZINC000681505684 566110269 /nfs/dbraw/zinc/11/02/69/566110269.db2.gz AARIVTMFZWJKFT-HNNXBMFYSA-N 1 0 388.281 2.623 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)cc1Br ZINC000681621898 566118855 /nfs/dbraw/zinc/11/88/55/566118855.db2.gz MPZRXUGITWPBMV-AWEZNQCLSA-N 1 0 394.313 2.605 20 0 GFADRO Cc1nn(-c2cccc(Br)c2)cc1C[N@@H+](C[C@@H](O)CO)C(C)C ZINC000656263930 566120318 /nfs/dbraw/zinc/12/03/18/566120318.db2.gz APNYXBODILVSDM-QGZVFWFLSA-N 1 0 382.302 2.507 20 0 GFADRO Cc1nn(-c2ccccc2Br)cc1C[N@@H+]1CC[C@@H](CC(N)=O)C1 ZINC000656260930 566121168 /nfs/dbraw/zinc/12/11/68/566121168.db2.gz ZEPDUYOEKFDWFF-ZDUSSCGKSA-N 1 0 377.286 2.641 20 0 GFADRO Cn1ncc(Br)c1CNC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000633994432 566136864 /nfs/dbraw/zinc/13/68/64/566136864.db2.gz XZVPWYPNZRUDDP-UHFFFAOYSA-N 1 0 377.286 2.708 20 0 GFADRO CC[NH2+]CCCNC(=O)N1CCc2[nH]c3c(cccc3Br)c2C1 ZINC000634094263 566143521 /nfs/dbraw/zinc/14/35/21/566143521.db2.gz LNPKAPGKWANFAS-UHFFFAOYSA-N 1 0 379.302 2.998 20 0 GFADRO CC[NH+]1CCC(NS(=O)(=O)c2cc(Cl)cc(Br)c2)CC1 ZINC000656615398 566146168 /nfs/dbraw/zinc/14/61/68/566146168.db2.gz HQJZRCCFIMPEIV-UHFFFAOYSA-N 1 0 381.723 2.865 20 0 GFADRO C[NH+](C)C1CCN(CCNC(=O)c2c(Cl)cccc2Br)CC1 ZINC000611977670 566146504 /nfs/dbraw/zinc/14/65/04/566146504.db2.gz JVSKQWCRHIFFMR-UHFFFAOYSA-N 1 0 388.737 2.858 20 0 GFADRO C[NH+](C)C1CCN(CCNC(=O)c2cc3cc(Br)sc3[nH]2)CC1 ZINC000611974086 566146965 /nfs/dbraw/zinc/14/69/65/566146965.db2.gz MKBPKKPZBYCUAC-UHFFFAOYSA-N 1 0 399.358 2.748 20 0 GFADRO CO[C@H]1CCC[N@H+](C[C@H](O)COc2cc(F)cc(Br)c2)CC1 ZINC000682218388 566148173 /nfs/dbraw/zinc/14/81/73/566148173.db2.gz HNYITFWYCSISNC-GJZGRUSLSA-N 1 0 376.266 2.829 20 0 GFADRO Cc1cc(Br)cc(C)c1NC(=O)C(=O)N(C)CCCC[NH+](C)C ZINC000682280032 566149126 /nfs/dbraw/zinc/14/91/26/566149126.db2.gz RVSLMKISZIUXKU-UHFFFAOYSA-N 1 0 384.318 2.805 20 0 GFADRO Cc1nc(C(=O)Nc2cc(N3CC[NH+](C)CC3)ccn2)c(Br)s1 ZINC000634193228 566149279 /nfs/dbraw/zinc/14/92/79/566149279.db2.gz HGBHTNVDGNDFPZ-UHFFFAOYSA-N 1 0 396.314 2.613 20 0 GFADRO CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)Nc1cc(Br)ccc1C ZINC000682272419 566149283 /nfs/dbraw/zinc/14/92/83/566149283.db2.gz LOMOKCBEMPQOCE-CQSZACIVSA-N 1 0 382.302 2.687 20 0 GFADRO CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)Nc2ccc(Br)c(F)c2)C1 ZINC000682351553 566149805 /nfs/dbraw/zinc/14/98/05/566149805.db2.gz AGCLWLSIJLOLRX-GFCCVEGCSA-N 1 0 386.265 2.516 20 0 GFADRO Cc1cccc(C[N@@H+]2CC[C@H](NC(=O)c3cc(Br)c[nH]c3=O)C2)c1 ZINC000634275320 566151181 /nfs/dbraw/zinc/15/11/81/566151181.db2.gz MYDFZWSXLVZJOW-HNNXBMFYSA-N 1 0 390.281 2.862 20 0 GFADRO COC[C@@H]([NH2+][C@H]1CCN(c2cccc(Br)c2)C1=O)C1CCOCC1 ZINC000656677365 566154303 /nfs/dbraw/zinc/15/43/03/566154303.db2.gz GJYVDOWTNHFZOI-DLBZAZTESA-N 1 0 397.313 2.586 20 0 GFADRO COc1cccc(OC)c1C[NH2+]C[C@H](O)COc1cccc(Br)c1 ZINC000656704840 566155481 /nfs/dbraw/zinc/15/54/81/566155481.db2.gz KZFVEDHCCCJRIT-AWEZNQCLSA-N 1 0 396.281 2.996 20 0 GFADRO C[NH+](C)C1(C(=O)N[C@@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)CC1 ZINC000612295813 566156461 /nfs/dbraw/zinc/15/64/61/566156461.db2.gz DQMNGDFVSZJJFF-LLVKDONJSA-N 1 0 376.810 2.543 20 0 GFADRO C[NH+](C)C1(C(=O)N[C@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)CC1 ZINC000612295823 566156581 /nfs/dbraw/zinc/15/65/81/566156581.db2.gz DQMNGDFVSZJJFF-NSHDSACASA-N 1 0 376.810 2.543 20 0 GFADRO C[C@H](CNC(=O)C(=O)NCc1ccc(Cl)c(Cl)c1)[N@@H+]1CCC[C@H](C)C1 ZINC000612416865 566161165 /nfs/dbraw/zinc/16/11/65/566161165.db2.gz UTCGZJYGEYSFRT-QWHCGFSZSA-N 1 0 386.323 2.846 20 0 GFADRO CC[NH+](CC)CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cn(C)nc1C ZINC000656741142 566164072 /nfs/dbraw/zinc/16/40/72/566164072.db2.gz DQCSMXGOHJBRGU-UHFFFAOYSA-N 1 0 384.933 2.919 20 0 GFADRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3nn(C(C)(C)C)cc3Br)CC[C@@H]21 ZINC000612517273 566165819 /nfs/dbraw/zinc/16/58/19/566165819.db2.gz KABBXEAHYJPMJR-JSGCOSHPSA-N 1 0 383.334 2.957 20 0 GFADRO COCC[N@@H+]1CCC[C@@H](NC(=O)c2cn(C)nc2-c2ccc(Cl)s2)C1 ZINC000682806879 566171299 /nfs/dbraw/zinc/17/12/99/566171299.db2.gz ZKXYAFMTSLMGLF-GFCCVEGCSA-N 1 0 382.917 2.643 20 0 GFADRO C[C@](O)(C[C@H](O)C[NH2+]Cc1cnn(-c2ccc(Br)cc2)c1)C1CC1 ZINC000634712633 566171953 /nfs/dbraw/zinc/17/19/53/566171953.db2.gz JNDWHBVHSUYEGY-ROUUACIJSA-N 1 0 394.313 2.636 20 0 GFADRO CC(C)(CC[NH2+]C[C@@H](O)COc1cc(Cl)cc(Cl)c1)S(C)(=O)=O ZINC000634717869 566172046 /nfs/dbraw/zinc/17/20/46/566172046.db2.gz SHOYAWDTNBSOJY-CYBMUJFWSA-N 1 0 384.325 2.536 20 0 GFADRO Cc1nc(CS(=O)(=O)N(CCCc2ccccc2)CC[NH+](C)C)cs1 ZINC000682834547 566172482 /nfs/dbraw/zinc/17/24/82/566172482.db2.gz JOVIYSAGSYMVPL-UHFFFAOYSA-N 1 0 381.567 2.778 20 0 GFADRO O[C@H](C[NH2+]C[C@H](n1cncn1)C(F)(F)F)COc1cc(Cl)ccc1Cl ZINC000634725967 566172867 /nfs/dbraw/zinc/17/28/67/566172867.db2.gz IMNQMAXSOPSCQI-MFKMUULPSA-N 1 0 399.200 2.718 20 0 GFADRO CCC[NH+]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC2CC2)CC1 ZINC000612744849 566173209 /nfs/dbraw/zinc/17/32/09/566173209.db2.gz GVIDOXAAGGNXIY-UHFFFAOYSA-N 1 0 393.333 2.978 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)Cc1ccc(Br)cc1F ZINC000612751361 566173646 /nfs/dbraw/zinc/17/36/46/566173646.db2.gz FOGAEAVGDNLOLJ-OIISXLGYSA-N 1 0 399.304 2.841 20 0 GFADRO CC1CC[NH+](CCCCNS(=O)(=O)c2ncccc2Br)CC1 ZINC000656878333 566173695 /nfs/dbraw/zinc/17/36/95/566173695.db2.gz WEVNNRBADKRCMR-UHFFFAOYSA-N 1 0 390.347 2.635 20 0 GFADRO O[C@H](C[NH2+][C@H]1CCCn2nccc21)COc1cc(F)cc(Br)c1 ZINC000634730545 566173860 /nfs/dbraw/zinc/17/38/60/566173860.db2.gz KGRYCZLSKKYSBJ-HIFRSBDPSA-N 1 0 384.249 2.649 20 0 GFADRO C[NH+]1CCC(CCNS(=O)(=O)Cc2cc(F)ccc2Br)CC1 ZINC000656891077 566176767 /nfs/dbraw/zinc/17/67/67/566176767.db2.gz VAYXSUYYAYPMND-UHFFFAOYSA-N 1 0 393.322 2.740 20 0 GFADRO O=C(N[C@H]1CC12CC[NH2+]CC2)N1CCN(c2cc(Cl)ccc2Cl)CC1 ZINC000612992646 566181418 /nfs/dbraw/zinc/18/14/18/566181418.db2.gz IQEDPYLOVMQWLT-INIZCTEOSA-N 1 0 383.323 2.967 20 0 GFADRO C[C@H]1C[C@@H](NS(=O)(=O)c2cc(Cl)cc(Br)c2)CC[N@@H+]1C ZINC000656918067 566182966 /nfs/dbraw/zinc/18/29/66/566182966.db2.gz KLKQMFGYCIKAMG-CABZTGNLSA-N 1 0 381.723 2.864 20 0 GFADRO CC[N@@H+]1C[C@@H](C)N(C(=O)c2cc(Br)cc3[nH]c(=O)[nH]c32)C[C@H]1C ZINC000613146931 566185766 /nfs/dbraw/zinc/18/57/66/566185766.db2.gz AHHFXDJKQVMCAS-NXEZZACHSA-N 1 0 381.274 2.586 20 0 GFADRO O=C1CC[C@H]([NH2+]Cc2cc(Br)ccc2Br)CCN1 ZINC000634976934 566187341 /nfs/dbraw/zinc/18/73/41/566187341.db2.gz LKCVXRASCBQIPY-NSHDSACASA-N 1 0 376.092 2.970 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000635112850 566193695 /nfs/dbraw/zinc/19/36/95/566193695.db2.gz RQHHXUQQKSEHKC-INIZCTEOSA-N 1 0 394.313 2.829 20 0 GFADRO C[C@@H](C[NH+]1CCCCC1)NS(=O)(=O)Cc1cc(F)ccc1Br ZINC000656966368 566196274 /nfs/dbraw/zinc/19/62/74/566196274.db2.gz RZQXYYZRHMXXQK-LBPRGKRZSA-N 1 0 393.322 2.882 20 0 GFADRO Brc1ccc2nc(C[NH2+][C@@H]3CCCC[C@@H]3N3CCOCC3)cn2c1 ZINC000683523124 566202518 /nfs/dbraw/zinc/20/25/18/566202518.db2.gz BRCWXLLROQVRIJ-SJORKVTESA-N 1 0 393.329 2.830 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@H](CNS(=O)(=O)c2cccc(Br)c2)C1 ZINC000657033929 566208843 /nfs/dbraw/zinc/20/88/43/566208843.db2.gz MUFZOZJDHGUWOM-GFCCVEGCSA-N 1 0 375.332 2.848 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@@H]1CNS(=O)(=O)Cc1ccc(Br)cc1 ZINC000657035442 566210709 /nfs/dbraw/zinc/21/07/09/566210709.db2.gz TZRIHGMYZKBNEY-CQSZACIVSA-N 1 0 375.332 2.741 20 0 GFADRO Cc1c(Br)ccc(C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)c1F ZINC000684048747 566223590 /nfs/dbraw/zinc/22/35/90/566223590.db2.gz DDKWEYUOJOEZBN-CYBMUJFWSA-N 1 0 398.320 2.795 20 0 GFADRO Brc1cccc(N2CC[C@@H]([NH2+]C[C@@H]3CNc4ccnn4C3)C2)c1 ZINC000684199442 566230454 /nfs/dbraw/zinc/23/04/54/566230454.db2.gz OBVANRNZBLIHLE-UKRRQHHQSA-N 1 0 376.302 2.556 20 0 GFADRO C[C@H](NCC[N@@H+]1CC[C@@H](C)C1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000684553124 566237945 /nfs/dbraw/zinc/23/79/45/566237945.db2.gz DNSRXUUCRBWMAP-MNOVXSKESA-N 1 0 380.341 2.633 20 0 GFADRO CC[C@@H](C[NH+]1CCCC1)NS(=O)(=O)c1ccc(OC)cc1Br ZINC000684582157 566239387 /nfs/dbraw/zinc/23/93/87/566239387.db2.gz WBFMSYZNMBYVIF-LBPRGKRZSA-N 1 0 391.331 2.610 20 0 GFADRO CN(C(=O)c1cccc(-c2nn[nH]n2)c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000736741517 598823266 /nfs/dbraw/zinc/82/32/66/598823266.db2.gz FGHAEYBSIFFEQC-UHFFFAOYSA-N 1 0 376.464 2.603 20 0 GFADRO S=C(Nc1ccc(-c2nn[nH]n2)c(Cl)c1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000738400973 598828920 /nfs/dbraw/zinc/82/89/20/598828920.db2.gz MHRDEXNWGDCWCV-LBPRGKRZSA-N 1 0 391.932 2.635 20 0 GFADRO O=C(CC[N@@H+]1CCC[C@@H](Oc2ccccc2)C1)Nc1ccccc1-c1nn[nH]n1 ZINC000737844271 598833920 /nfs/dbraw/zinc/83/39/20/598833920.db2.gz QZJKKFAUKFUOIM-QGZVFWFLSA-N 1 0 392.463 2.739 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000736267847 598868008 /nfs/dbraw/zinc/86/80/08/598868008.db2.gz PPRLFWNBIIZHMC-AEFFLSMTSA-N 1 0 382.512 2.522 20 0 GFADRO NC(=O)c1cccc(C[NH2+]Cc2cccc(-c3ccc(-c4nn[nH]n4)s3)c2)c1 ZINC000737762265 598888177 /nfs/dbraw/zinc/88/81/77/598888177.db2.gz WUFXHRMTQVNJQZ-UHFFFAOYSA-N 1 0 390.472 2.984 20 0 GFADRO C[C@H](CNc1c2ccccc2nnc1-c1nn[nH]n1)[N@@H+]1CCc2ccccc2C1 ZINC000736027095 598958123 /nfs/dbraw/zinc/95/81/23/598958123.db2.gz XDLHYMRBOZBKSX-CQSZACIVSA-N 1 0 386.463 2.669 20 0 GFADRO C[C@@H]([NH2+][C@H]1CCN(c2ccc(-c3nn[nH]n3)cc2)C1=O)c1ccc(Cl)cc1 ZINC000736129271 598959300 /nfs/dbraw/zinc/95/93/00/598959300.db2.gz COQKUQVJVGJIRE-PXAZEXFGSA-N 1 0 382.855 2.976 20 0 GFADRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)cc1C ZINC000737322588 598961573 /nfs/dbraw/zinc/96/15/73/598961573.db2.gz ZPMDQRVSGAIBBM-BEFAXECRSA-N 1 0 376.464 2.940 20 0 GFADRO COc1ccc(C[N@H+](CCOc2ccc(-c3nn[nH]n3)cc2OC)C2CC2)cc1 ZINC000737091075 598981615 /nfs/dbraw/zinc/98/16/15/598981615.db2.gz PFEKYLJXXKGTNS-UHFFFAOYSA-N 1 0 395.463 2.927 20 0 GFADRO CCCO[C@@H]1CCC[N@H+](CCOc2ccc(-c3nn[nH]n3)cc2OC)CC1 ZINC000736488594 598985525 /nfs/dbraw/zinc/98/55/25/598985525.db2.gz PQRAATJHISPYJC-MRXNPFEDSA-N 1 0 375.473 2.535 20 0 GFADRO CC[C@H](C(=O)OCc1c(-c2nn[nH]n2)c(C)nn1-c1ccccc1)[NH+](CC)CC ZINC000736312516 599018422 /nfs/dbraw/zinc/01/84/22/599018422.db2.gz GZFXWLIAAJHYIU-MRXNPFEDSA-N 1 0 397.483 2.524 20 0 GFADRO CC(C)(C)c1ccc(CC[NH2+][C@@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000735649096 599090638 /nfs/dbraw/zinc/09/06/38/599090638.db2.gz KHOWVWULIZQKGS-GOSISDBHSA-N 1 0 378.480 2.523 20 0 GFADRO CCC[N@H+](C)C[C@@H]1CCN(c2c(-c3nn[nH]n3)cnc3c(F)cc(F)cc32)C1 ZINC000821088775 599093908 /nfs/dbraw/zinc/09/39/08/599093908.db2.gz VQGDHNIVIXVLJP-LBPRGKRZSA-N 1 0 387.438 2.861 20 0 GFADRO Cc1ccccc1[C@@H](O)C[NH+]1CCC(Oc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000737421425 599133157 /nfs/dbraw/zinc/13/31/57/599133157.db2.gz NAUXGCDRKCAVNX-FQEVSTJZSA-N 1 0 379.464 2.752 20 0 GFADRO Cc1ccccc1[C@@H](O)C[NH+]1CCC(Oc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000737422068 599133517 /nfs/dbraw/zinc/13/35/17/599133517.db2.gz PENBGFNYEMVYNE-FQEVSTJZSA-N 1 0 379.464 2.752 20 0 GFADRO CC[C@@H](Cc1ccccc1)[N@H+](C)C[C@@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000736352046 599145376 /nfs/dbraw/zinc/14/53/76/599145376.db2.gz RSLSFVHULAESDQ-RBUKOAKNSA-N 1 0 381.480 2.560 20 0 GFADRO C[C@H]1C[N@H+](CC(=O)Nc2cccc(-c3nn[nH]n3)c2)CC[C@@H]1c1ccccc1 ZINC000736284590 599147006 /nfs/dbraw/zinc/14/70/06/599147006.db2.gz BLLHOHMJHSMOBU-KXBFYZLASA-N 1 0 376.464 2.931 20 0 GFADRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2ccccc2-c2ccccc2-c2nn[nH]n2)C1 ZINC000821159964 599214332 /nfs/dbraw/zinc/21/43/32/599214332.db2.gz FESFUKSJRKYKBW-MRXNPFEDSA-N 1 0 390.491 2.948 20 0 GFADRO Cc1c(NC(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)cccc1-c1nn[nH]n1 ZINC000822096027 607287697 /nfs/dbraw/zinc/28/76/97/607287697.db2.gz IQXOMNUOVJJRMP-MRXNPFEDSA-N 1 0 381.440 2.727 20 0 GFADRO Cc1c[nH+]ccc1N1CCC(C(=O)Nc2cccc(-c3nn[nH]n3)c2C)CC1 ZINC000822399570 607322323 /nfs/dbraw/zinc/32/23/23/607322323.db2.gz JUJIFWKJTWZNDY-UHFFFAOYSA-N 1 0 377.452 2.734 20 0 GFADRO c1cnn(CCCCC[NH+]2CCC(Oc3cccc(-c4nn[nH]n4)c3)CC2)c1 ZINC000738419041 598251758 /nfs/dbraw/zinc/25/17/58/598251758.db2.gz MJLIHZXSZYSNPI-UHFFFAOYSA-N 1 0 381.484 2.777 20 0 GFADRO C[C@H](NC(=O)N1CCC[C@H]1C[NH+]1CCCCC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000736114544 598268503 /nfs/dbraw/zinc/26/85/03/598268503.db2.gz UOYMWNTWLMUPDP-YJBOKZPZSA-N 1 0 383.500 2.588 20 0 GFADRO Cc1[nH]c2c(cc(C)cc2C[NH2+]Cc2cnc3c(-c4nn[nH]n4)cnn3c2)c1C ZINC000737264640 598286682 /nfs/dbraw/zinc/28/66/82/598286682.db2.gz OUPASQNZZVHIKU-UHFFFAOYSA-N 1 0 387.451 2.606 20 0 GFADRO CC(C)C[C@@H](C[NH+](C)C)NC(=S)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000735762045 598319505 /nfs/dbraw/zinc/31/95/05/598319505.db2.gz UKQNGUHCQDAUEC-LBPRGKRZSA-N 1 0 381.937 2.783 20 0 GFADRO C[C@@H]1CCC[N@H+](CCNC(=S)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)C1 ZINC000736268536 598320082 /nfs/dbraw/zinc/32/00/82/598320082.db2.gz XVGBENQJPIZIBC-LLVKDONJSA-N 1 0 379.921 2.538 20 0 GFADRO C[C@@H](CNC(=S)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)[N@@H+]1CCC[C@H](C)C1 ZINC000736268579 598320267 /nfs/dbraw/zinc/32/02/67/598320267.db2.gz YFYDYMQLEVJBJT-RYUDHWBXSA-N 1 0 393.948 2.927 20 0 GFADRO Cc1nn(C)c(Cl)c1[C@H]1CCC[N@@H+]1CCOc1ccc(-c2nn[nH]n2)cc1 ZINC000737511973 598368515 /nfs/dbraw/zinc/36/85/15/598368515.db2.gz QEBIMGFVGJNWQN-OAHLLOKOSA-N 1 0 387.875 2.778 20 0 GFADRO CCC[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)C[C@@H](O)CN(C)Cc1ccccc1 ZINC000736482233 598368978 /nfs/dbraw/zinc/36/89/78/598368978.db2.gz YQAKKTIRDIEUCG-NRFANRHFSA-N 1 0 394.523 2.572 20 0 GFADRO O[C@@H](COc1ccc(-c2nn[nH]n2)cc1)C[N@@H+]1CCC[C@@H](Cc2ccccc2)C1 ZINC000738383259 598373465 /nfs/dbraw/zinc/37/34/65/598373465.db2.gz ACBLOKXPDOOTIY-AZUAARDMSA-N 1 0 393.491 2.561 20 0 GFADRO O[C@@H](c1ccccc1)[C@H]1CCCC[N@@H+]1CCOc1cccc(-c2nn[nH]n2)c1 ZINC000738383252 598396757 /nfs/dbraw/zinc/39/67/57/598396757.db2.gz ABELIIDAVXGARV-UXHICEINSA-N 1 0 379.464 2.834 20 0 GFADRO O=C(CC1=CCCCC1)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000737806445 598400537 /nfs/dbraw/zinc/40/05/37/598400537.db2.gz HJCGGDXBGKSKAI-UHFFFAOYSA-N 1 0 380.496 2.792 20 0 GFADRO COc1ccc([C@@H]([NH2+]CC(=O)Nc2cccc(-c3nn[nH]n3)c2)C(C)C)cc1 ZINC000737073270 598431448 /nfs/dbraw/zinc/43/14/48/598431448.db2.gz AQRWYXKHDDYHCL-IBGZPJMESA-N 1 0 380.452 2.801 20 0 GFADRO COc1ccc([C@H]([NH2+]CC(=O)Nc2sccc2-c2nn[nH]n2)C(C)C)cc1 ZINC000737073228 598431570 /nfs/dbraw/zinc/43/15/70/598431570.db2.gz ACNZZQGGGIVNQO-MRXNPFEDSA-N 1 0 386.481 2.862 20 0 GFADRO COc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2ccccc2-c2nn[nH]n2)cc1F ZINC000737073477 598453531 /nfs/dbraw/zinc/45/35/31/598453531.db2.gz RSJCHJLLUNGZTA-NEPJUHHUSA-N 1 0 384.415 2.692 20 0 GFADRO Cc1oc(-n2cccc2)c(-c2nn[nH]n2)c1C(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000737548979 598466792 /nfs/dbraw/zinc/46/67/92/598466792.db2.gz SPLDEKGYKPOOLE-OKILXGFUSA-N 1 0 397.483 2.552 20 0 GFADRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N(Cc1ccc(-c2nn[nH]n2)cc1)C1CC1 ZINC000736263978 598479642 /nfs/dbraw/zinc/47/96/42/598479642.db2.gz AMXLLCOCLDINIH-HZPDHXFCSA-N 1 0 397.527 2.661 20 0 GFADRO O=C(C[NH2+]C1(c2ccc(F)cc2)CCCC1)NCc1cccc(-c2nn[nH]n2)c1 ZINC000737891995 598487337 /nfs/dbraw/zinc/48/73/37/598487337.db2.gz QAAISAPCRMRICK-UHFFFAOYSA-N 1 0 394.454 2.681 20 0 GFADRO CC(C)[N@@H+]1CCCN(C(=S)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)CC1 ZINC000735881658 598513217 /nfs/dbraw/zinc/51/32/17/598513217.db2.gz KTUXEUYUEYVGLE-UHFFFAOYSA-N 1 0 379.921 2.633 20 0 GFADRO C[C@H]([NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1csc2ccccc12 ZINC000736135918 598530361 /nfs/dbraw/zinc/53/03/61/598530361.db2.gz QQXKFKNZNRFARN-NWDGAFQWSA-N 1 0 380.481 2.670 20 0 GFADRO O=C(CC1CCCC1)NC1CC[NH+](Cc2cc(-c3nn[nH]n3)ccc2F)CC1 ZINC000737813222 598559149 /nfs/dbraw/zinc/55/91/49/598559149.db2.gz IPZPTKAFXGEMOE-UHFFFAOYSA-N 1 0 386.475 2.667 20 0 GFADRO C[N@@H+]1CCC[C@@H](NC(=O)Nc2ccc(Oc3cccc(-c4nn[nH]n4)c3)cc2)C1 ZINC000736857613 598565806 /nfs/dbraw/zinc/56/58/06/598565806.db2.gz OZJOWKFDBCREOV-MRXNPFEDSA-N 1 0 393.451 2.875 20 0 GFADRO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)Nc1ccc(F)c(-c2nn[nH]n2)c1 ZINC000738038001 598625231 /nfs/dbraw/zinc/62/52/31/598625231.db2.gz IJERXIUPGOZFRE-OAHLLOKOSA-N 1 0 385.403 2.557 20 0 GFADRO O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)Nc1ccc(F)c(-c2nn[nH]n2)c1 ZINC000738036372 598625253 /nfs/dbraw/zinc/62/52/53/598625253.db2.gz BHSHWNZIDYOVCT-GOSISDBHSA-N 1 0 395.442 2.964 20 0 GFADRO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)CCc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000736402083 598694285 /nfs/dbraw/zinc/69/42/85/598694285.db2.gz LLZKSKYHFWINGR-INIZCTEOSA-N 1 0 384.528 2.816 20 0 GFADRO C[C@@H]([NH2+][C@@H]1CCN(c2ccccc2Cl)C1=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000736135845 598712147 /nfs/dbraw/zinc/71/21/47/598712147.db2.gz YTRDGDMGTDZTKG-MLGOLLRUSA-N 1 0 382.855 2.976 20 0 GFADRO CC[N@@H+]1CCC[C@@H]1CNc1cc(C)c(-c2nn[nH]n2)c2nc3ccccc3n21 ZINC000736569015 598717813 /nfs/dbraw/zinc/71/78/13/598717813.db2.gz FRDFXNVQWCUYRI-CQSZACIVSA-N 1 0 376.468 2.872 20 0 GFADRO CC(C)C[C@H](CNC(=O)c1ccc(-c2nn[nH]n2)cn1)[NH2+][C@@H](C)c1ccccc1 ZINC000735768859 598721408 /nfs/dbraw/zinc/72/14/08/598721408.db2.gz DMPUEJYUOWXZRW-MAUKXSAKSA-N 1 0 393.495 2.757 20 0 GFADRO C[C@@H](CNC(=O)Nc1ccc(F)c(-c2nn[nH]n2)c1)[N@H+](C)Cc1ccccc1 ZINC000736017118 598729783 /nfs/dbraw/zinc/72/97/83/598729783.db2.gz IHNXSMGUEQJTHK-ZDUSSCGKSA-N 1 0 383.431 2.648 20 0 GFADRO CC[NH+](CC)C[C@@H](C)Nc1c(-c2nn[nH]n2)cnc2ccc(OC(F)F)cc21 ZINC000736532339 598745843 /nfs/dbraw/zinc/74/58/43/598745843.db2.gz BBHDUOZDKPHCLZ-LLVKDONJSA-N 1 0 391.426 2.580 20 0 GFADRO CCC[N@H+](CC(=O)N(C)C)Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000736470336 598760296 /nfs/dbraw/zinc/76/02/96/598760296.db2.gz DMMRIQQYCNDAIG-UHFFFAOYSA-N 1 0 378.480 2.834 20 0 GFADRO COc1ccccc1C(C)(C)[NH2+]CCC(=O)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000737138216 598764119 /nfs/dbraw/zinc/76/41/19/598764119.db2.gz KXNVHRTUWQBBTO-UHFFFAOYSA-N 1 0 380.452 2.729 20 0 GFADRO COc1ccc(OCC[NH+]2CCC(Oc3ccc(-c4nn[nH]n4)cc3)CC2)cc1 ZINC000737110968 598767174 /nfs/dbraw/zinc/76/71/74/598767174.db2.gz FWSHAPQARILVNC-UHFFFAOYSA-N 1 0 395.463 2.798 20 0 GFADRO Fc1cc(F)c2ncc(-c3nn[nH]n3)c(N3CCC[C@H]([NH+]4CCCC4)C3)c2c1 ZINC000737645479 598772025 /nfs/dbraw/zinc/77/20/25/598772025.db2.gz ZVMFCLPKQDMNBU-ZDUSSCGKSA-N 1 0 385.422 2.758 20 0 GFADRO Fc1cc(F)c2ncc(-c3nn[nH]n3)c(N3CC[C@@H]([NH+]4CCCCC4)C3)c2c1 ZINC000737643190 598773610 /nfs/dbraw/zinc/77/36/10/598773610.db2.gz CPFDQNOHFSJVNA-CYBMUJFWSA-N 1 0 385.422 2.758 20 0 GFADRO C[C@H](c1ccc(-c2nn[nH]n2)cc1)[N@@H+]1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000736195257 599313131 /nfs/dbraw/zinc/31/31/31/599313131.db2.gz FICYZDSAHMGZRV-FZKQIMNGSA-N 1 0 395.442 2.963 20 0 GFADRO C[C@@H]1CCC[N@@H+]1CCNC(=O)c1cccc(Oc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000736279133 599318166 /nfs/dbraw/zinc/31/81/66/599318166.db2.gz VQHJOGSAFAYKPN-OAHLLOKOSA-N 1 0 392.463 2.873 20 0 GFADRO CC[NH+](CC)CCSCC(=O)Nc1cc(-c2nn[nH]n2)ccc1OC(C)C ZINC000736531543 599318293 /nfs/dbraw/zinc/31/82/93/599318293.db2.gz YSPDJXDJBFWKMN-UHFFFAOYSA-N 1 0 392.529 2.667 20 0 GFADRO C[C@@H](NC(=O)c1ccc(Nc2cc[nH+]cc2)cc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000736124531 599349313 /nfs/dbraw/zinc/34/93/13/599349313.db2.gz UHJBFULQLGHPBA-CQSZACIVSA-N 1 0 385.431 2.918 20 0 GFADRO C[C@@H](NC(=O)NCCC[N@H+](C)C1CCCCC1)c1cccc(-c2nn[nH]n2)c1 ZINC000820366523 599403841 /nfs/dbraw/zinc/40/38/41/599403841.db2.gz OSTHJVAPEXWIJU-OAHLLOKOSA-N 1 0 385.516 2.882 20 0 GFADRO COc1ccc(C[NH2+][C@H](C)c2cc(OC)c(OC)c(OC)c2)cc1-c1nn[nH]n1 ZINC000821803055 599406375 /nfs/dbraw/zinc/40/63/75/599406375.db2.gz AXNBBIBBIJOZEW-GFCCVEGCSA-N 1 0 399.451 2.752 20 0 GFADRO COc1ccc(C[NH2+][C@@H](C)c2cc(OC)c(OC)c(OC)c2)cc1-c1nn[nH]n1 ZINC000821803056 599406751 /nfs/dbraw/zinc/40/67/51/599406751.db2.gz AXNBBIBBIJOZEW-LBPRGKRZSA-N 1 0 399.451 2.752 20 0 GFADRO COc1ccc(C[NH2+]C[C@H]2CCN(c3ccc(F)cc3)C2)cc1-c1nn[nH]n1 ZINC000821808981 599414643 /nfs/dbraw/zinc/41/46/43/599414643.db2.gz LJXAOKZIJVVGCL-OAHLLOKOSA-N 1 0 382.443 2.631 20 0 GFADRO COc1ccc(C[NH2+]C2CCN(c3ccccc3OC)CC2)cc1-c1nn[nH]n1 ZINC000821808481 599422379 /nfs/dbraw/zinc/42/23/79/599422379.db2.gz GZAKNYHDVUYKRO-UHFFFAOYSA-N 1 0 394.479 2.643 20 0 GFADRO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)N[C@H](C)c1cccc(-c2nn[nH]n2)c1 ZINC000821066192 599439295 /nfs/dbraw/zinc/43/92/95/599439295.db2.gz RMHZGOJHEHVAJB-QAPCUYQASA-N 1 0 385.516 2.882 20 0 GFADRO C[C@@H]1C[C@@H]1[C@H]([NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1ccc(Cl)cc1 ZINC000820666201 599451104 /nfs/dbraw/zinc/45/11/04/599451104.db2.gz HFCFLKGOZRUIMU-PZNPJNSTSA-N 1 0 398.902 2.745 20 0 GFADRO Cc1cccc2c1ncc(-c1nn[nH]n1)c2NCC[N@@H+]1CCc2sccc2C1 ZINC000822335854 599490577 /nfs/dbraw/zinc/49/05/77/599490577.db2.gz MWCDYPKYKAWURA-UHFFFAOYSA-N 1 0 391.504 2.677 20 0 GFADRO CC(C)(C)OC(=O)NC[C@H]1CCC[N@@H+]1Cc1cn2ccccc2c1-c1nn[nH]n1 ZINC000819939791 599589294 /nfs/dbraw/zinc/58/92/94/599589294.db2.gz JRBFXMFIGUPTAG-OAHLLOKOSA-N 1 0 397.483 2.609 20 0 GFADRO CC[N@@H+](Cc1cn2ccccc2c1-c1nn[nH]n1)C[C@@H](O)c1ccc(C)cc1 ZINC000821230720 599590524 /nfs/dbraw/zinc/59/05/24/599590524.db2.gz OKJICBNYNUIJHI-LJQANCHMSA-N 1 0 376.464 2.983 20 0 GFADRO c1csc(C([NH2+]C[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)c2cccs2)c1 ZINC000738453959 599599384 /nfs/dbraw/zinc/59/93/84/599599384.db2.gz ZYEGFYZIZOZPPS-NSHDSACASA-N 1 0 398.521 2.607 20 0 GFADRO C[C@@H]1CCN(CC[NH2+]Cc2cccc(OCc3ccccc3-c3nn[nH]n3)c2)C1 ZINC000820723214 599647084 /nfs/dbraw/zinc/64/70/84/599647084.db2.gz XLVYMWOCHGOKMA-QGZVFWFLSA-N 1 0 392.507 2.877 20 0 GFADRO C[C@@H]1CC[N@H+](CCOc2ccc(NC(=O)c3cccc(-c4nn[nH]n4)c3)cc2)C1 ZINC000820723109 599654928 /nfs/dbraw/zinc/65/49/28/599654928.db2.gz WECWOEKZDIMQRG-OAHLLOKOSA-N 1 0 392.463 2.840 20 0 GFADRO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@@H+](C)[C@H](C)C2CC2)c1-c1nn[nH]n1 ZINC000822015298 599690539 /nfs/dbraw/zinc/69/05/39/599690539.db2.gz GZLFZXPYPUHJRD-OAHLLOKOSA-N 1 0 393.495 2.943 20 0 GFADRO CC(C)Oc1ccc(NC(=O)c2ccc(C[NH+](C)C)cc2)cc1-c1nn[nH]n1 ZINC000820168819 607406946 /nfs/dbraw/zinc/40/69/46/607406946.db2.gz BFNUTHMJXBEPGX-UHFFFAOYSA-N 1 0 380.452 2.968 20 0 GFADRO O=C([O-])[C@@H]([NH2+]CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1)c1ccc(F)cc1 ZINC000739505687 600182156 /nfs/dbraw/zinc/18/21/56/600182156.db2.gz DVOPNNQRGZSQBK-RTWAWAEBSA-N 1 0 386.467 2.987 20 0 GFADRO CC(C)Oc1ccc(NC(=O)NC2CC[NH+](C(C)C)CC2)cc1-c1nn[nH]n1 ZINC000820164104 607432180 /nfs/dbraw/zinc/43/21/80/607432180.db2.gz CYJUUZODGRVUNI-UHFFFAOYSA-N 1 0 387.488 2.648 20 0 GFADRO CC(C)Oc1ccc(NC(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1-c1nn[nH]n1 ZINC000820166318 607434338 /nfs/dbraw/zinc/43/43/38/607434338.db2.gz VTRIJWGOABLALS-DZGCQCFKSA-N 1 0 387.488 2.600 20 0 GFADRO O=C(C[N@@H+]1CCC[C@@H](Cc2ccccc2)C1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000822998108 607451600 /nfs/dbraw/zinc/45/16/00/607451600.db2.gz ZDDJOUCXDMSVIS-KRWDZBQOSA-N 1 0 376.464 2.760 20 0 GFADRO FC(F)(F)c1ccc(-c2nn[nH]n2)c(N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)n1 ZINC000822723300 607471262 /nfs/dbraw/zinc/47/12/62/607471262.db2.gz CWNYBVDIQDCTEV-SMDDNHRTSA-N 1 0 393.417 2.734 20 0 GFADRO CC(C)(C)OC(=O)NC[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC000819939583 607482793 /nfs/dbraw/zinc/48/27/93/607482793.db2.gz GTQQOIDIZSEDGU-GOEBONIOSA-N 1 0 390.463 2.789 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1cccc(C(=O)[O-])c1C ZINC000829765333 601015330 /nfs/dbraw/zinc/01/53/30/601015330.db2.gz QBHRIUMKHATCTB-INIZCTEOSA-N 1 0 376.501 2.573 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000737856407 601020015 /nfs/dbraw/zinc/02/00/15/601020015.db2.gz XOZSVPXDEHFRMM-KRWDZBQOSA-N 1 0 377.489 2.656 20 0 GFADRO CC[N@H+](Cc1ccc(C(=O)N(C)C)cc1)Cc1ccc(OC)c(-c2nn[nH]n2)c1 ZINC000825434627 607494334 /nfs/dbraw/zinc/49/43/34/607494334.db2.gz BXQGRBNFLCFDHT-UHFFFAOYSA-N 1 0 394.479 2.599 20 0 GFADRO OCCC[N@H+](Cc1ccnc(-c2nn[nH]n2)c1)Cc1ccc(Cl)c(Cl)c1 ZINC000826510098 607500317 /nfs/dbraw/zinc/50/03/17/607500317.db2.gz XUTBFQBKWCGPAO-UHFFFAOYSA-N 1 0 393.278 2.953 20 0 GFADRO COc1ccc(-c2nn[nH]n2)cc1CN1CCC[N@H+](Cc2ccccc2)CC1 ZINC000826183534 607513595 /nfs/dbraw/zinc/51/35/95/607513595.db2.gz RUJOTZMXPOQJKY-UHFFFAOYSA-N 1 0 378.480 2.583 20 0 GFADRO COc1ccc(-c2nn[nH]n2)cc1CN1CCC[N@H+](Cc2ccccc2C)CC1 ZINC000826183497 607513721 /nfs/dbraw/zinc/51/37/21/607513721.db2.gz QPPJVTMBIBCLKP-UHFFFAOYSA-N 1 0 392.507 2.892 20 0 GFADRO C[C@@H]1Cc2ccccc2N1C1CC[NH+](Cc2ccnc(-c3nn[nH]n3)c2)CC1 ZINC000825011943 607516883 /nfs/dbraw/zinc/51/68/83/607516883.db2.gz AOFSRJJYXIYULQ-OAHLLOKOSA-N 1 0 375.480 2.677 20 0 GFADRO COc1ccc(C[N@H+](CC(=O)Nc2ccc(F)cc2)C(C)C)cc1-c1nn[nH]n1 ZINC000826193722 607520157 /nfs/dbraw/zinc/52/01/57/607520157.db2.gz MTLPTTDRUPRDRB-UHFFFAOYSA-N 1 0 398.442 2.864 20 0 GFADRO CC(C)C[N@@H+]1Cc2cccc(NC(=O)COc3ccccc3-c3nn[nH]n3)c2C1 ZINC000824262205 607525510 /nfs/dbraw/zinc/52/55/10/607525510.db2.gz YDLXAFOURCYGFS-UHFFFAOYSA-N 1 0 392.463 2.856 20 0 GFADRO C[NH+]1CCN(c2ccc(C(F)(F)F)cc2C[NH2+]Cc2c[nH]c(C(=O)[O-])c2)CC1 ZINC000830959887 601834379 /nfs/dbraw/zinc/83/43/79/601834379.db2.gz CDORLUNIQWLCNU-UHFFFAOYSA-N 1 0 396.413 2.773 20 0 GFADRO C[NH+](C)CC1CCC(NC(=O)Nc2cc(-c3nn[nH]n3)cn2C(C)(C)C)CC1 ZINC000825859343 607539529 /nfs/dbraw/zinc/53/95/29/607539529.db2.gz FFNXRJNTAHPLBZ-UHFFFAOYSA-N 1 0 388.520 2.665 20 0 GFADRO CC[NH+](CC)Cc1ccccc1CNC(=O)c1ccc(-c2nn[nH]n2)cc1C ZINC000825418214 607651033 /nfs/dbraw/zinc/65/10/33/607651033.db2.gz YURSCNDIAGKHAA-UHFFFAOYSA-N 1 0 378.480 2.947 20 0 GFADRO Cc1ccccc1C[N@@H+]1CCCN(C(=O)c2ccc(-c3nn[nH]n3)cc2C)CC1 ZINC000826307458 607664564 /nfs/dbraw/zinc/66/45/64/607664564.db2.gz JJADQSGUIYQSGA-UHFFFAOYSA-N 1 0 390.491 2.832 20 0 GFADRO Cc1cc(-c2nn[nH]n2)ccc1C(=O)N[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000826246498 607704615 /nfs/dbraw/zinc/70/46/15/607704615.db2.gz FOKAXOAOTPNOIW-QAPCUYQASA-N 1 0 376.464 2.568 20 0 GFADRO O=C([O-])CCC[NH+]1CCC([NH2+][C@@H]2CCN(c3ccccc3OC(F)F)C2)CC1 ZINC000833773505 605223269 /nfs/dbraw/zinc/22/32/69/605223269.db2.gz PVRUHUOLPGDJEK-MRXNPFEDSA-N 1 0 397.466 2.786 20 0 GFADRO CC(C)C[C@H](C)NC(=O)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000824230097 607761429 /nfs/dbraw/zinc/76/14/29/607761429.db2.gz ZQAYERSNZNHTDZ-INIZCTEOSA-N 1 0 385.516 2.519 20 0 GFADRO C[C@@H](Oc1ccc(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)cc1)C(=O)[O-] ZINC000833540453 605728134 /nfs/dbraw/zinc/72/81/34/605728134.db2.gz KEDSLAUUNWGVAT-GOSISDBHSA-N 1 0 390.524 2.863 20 0 GFADRO Fc1ccc(C[NH+]2CCC(OC[C@H]3CCCCO3)CC2)c(-c2nn[nH]n2)c1 ZINC000822767100 606117598 /nfs/dbraw/zinc/11/75/98/606117598.db2.gz WQMMIWVRWNTWJD-QGZVFWFLSA-N 1 0 375.448 2.556 20 0 GFADRO C[N@H+](CCS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)C1CCCCCCC1 ZINC000821605067 606187993 /nfs/dbraw/zinc/18/79/93/606187993.db2.gz SZWXFCZEXPSPNY-UHFFFAOYSA-N 1 0 377.514 2.685 20 0 GFADRO COc1ccc(C[NH2+][C@H]2CCN(c3cccc(Cl)c3)C2)cc1-c1nn[nH]n1 ZINC000821810200 606204106 /nfs/dbraw/zinc/20/41/06/606204106.db2.gz XKUNZIPEYWMDCG-HNNXBMFYSA-N 1 0 384.871 2.897 20 0 GFADRO CC(C)(C)OC(=O)N1CCC[C@H](C[NH2+]Cc2cc(-c3nn[nH]n3)cs2)C1 ZINC000819933498 606215444 /nfs/dbraw/zinc/21/54/44/606215444.db2.gz UCSKXBMLQQSFMG-GFCCVEGCSA-N 1 0 378.502 2.665 20 0 GFADRO C[N@@H+]1CC[C@@H](CNC(=O)c2ccc(Sc3ccccc3-c3nn[nH]n3)cc2)C1 ZINC000821622144 606260898 /nfs/dbraw/zinc/26/08/98/606260898.db2.gz UBXQVRPXAIYDBV-AWEZNQCLSA-N 1 0 394.504 2.699 20 0 GFADRO CCOc1ccc([C@@H](C)[NH2+][C@@H]2CCN(c3sccc3-c3nn[nH]n3)C2=O)cc1 ZINC000821418266 606297693 /nfs/dbraw/zinc/29/76/93/606297693.db2.gz YIYMDVXNKQVNMI-MLGOLLRUSA-N 1 0 398.492 2.783 20 0 GFADRO COC(=O)[C@@H](c1cccc(-c2nn[nH]n2)c1)[N@@H+]1CC[C@H](c2ccccc2C)C1 ZINC000821651652 606319169 /nfs/dbraw/zinc/31/91/69/606319169.db2.gz CZTGTNRITNNAMG-PKOBYXMFSA-N 1 0 377.448 2.879 20 0 GFADRO CC[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)N[C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000821000983 606342732 /nfs/dbraw/zinc/34/27/32/606342732.db2.gz NVVYBAKDVGWXBC-BMGDILEWSA-N 1 0 383.500 2.586 20 0 GFADRO CC[NH+](CC)CC1CCN(C(=O)Nc2ccc(F)cc2-c2nn[nH]n2)CC1 ZINC000821182658 606347964 /nfs/dbraw/zinc/34/79/64/606347964.db2.gz WYXJVEWJGRJRNR-UHFFFAOYSA-N 1 0 375.452 2.592 20 0 GFADRO COc1ccc(Br)cc1C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC000821769600 606416840 /nfs/dbraw/zinc/41/68/40/606416840.db2.gz IUQFUHRMXAFAFE-UHFFFAOYSA-N 1 0 380.271 2.989 20 0 GFADRO C[C@@H]([NH2+]CCOc1ccc(-c2nn[nH]n2)cc1)c1ccccc1-n1cccn1 ZINC000820421024 606428664 /nfs/dbraw/zinc/42/86/64/606428664.db2.gz ZRILGMODPSTNBC-OAHLLOKOSA-N 1 0 375.436 2.782 20 0 GFADRO CCOC(=O)CC1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2OC(F)F)CC1 ZINC000821326255 606482146 /nfs/dbraw/zinc/48/21/46/606482146.db2.gz VYZSJZMNFBQFEA-UHFFFAOYSA-N 1 0 395.410 2.633 20 0 GFADRO C[N@@H+]1CCC[C@@H]1[C@H]1CCCN1Cc1ccc(-c2nn[nH]n2)cc1OC(F)F ZINC000821625666 606488757 /nfs/dbraw/zinc/48/87/57/606488757.db2.gz TTZLSXPTRRLPEK-HUUCEWRRSA-N 1 0 378.427 2.527 20 0 GFADRO CCC[NH+]1CCC(N(C)Cc2ccc(-c3nn[nH]n3)cc2OC(F)F)CC1 ZINC000821109507 606490698 /nfs/dbraw/zinc/49/06/98/606490698.db2.gz LCBWNWQBXXUMBX-UHFFFAOYSA-N 1 0 380.443 2.774 20 0 GFADRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@H+]2CCC[C@@H]2C)c1-c1nn[nH]n1 ZINC000822016384 606505036 /nfs/dbraw/zinc/50/50/36/606505036.db2.gz ZKVYPEJHMUNIQJ-ZDUSSCGKSA-N 1 0 397.483 2.739 20 0 GFADRO C[N@@H+]1CCC[C@H](CNC(=O)c2ccc(-c3nn[nH]n3)s2)[C@@H]1c1cccs1 ZINC000821623380 606573237 /nfs/dbraw/zinc/57/32/37/606573237.db2.gz KEDGSVQJSDLMCX-IAQYHMDHSA-N 1 0 388.522 2.803 20 0 GFADRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1ccc(-c2nn[nH]n2)s1 ZINC000820761256 606584363 /nfs/dbraw/zinc/58/43/63/606584363.db2.gz WLSOVFIPTJCSCQ-HIFRSBDPSA-N 1 0 382.493 2.569 20 0 GFADRO CN(C(=O)OC(C)(C)C)[C@H]1CC[N@H+](Cc2cn3ccccc3c2-c2nn[nH]n2)C1 ZINC000821571696 606616433 /nfs/dbraw/zinc/61/64/33/606616433.db2.gz AYWJSMMQHJZJIK-HNNXBMFYSA-N 1 0 397.483 2.561 20 0 GFADRO CN(CC[NH+]1CCC(Oc2ccc(-c3nn[nH]n3)cc2)CC1)c1ccccc1 ZINC000821601514 606646448 /nfs/dbraw/zinc/64/64/48/606646448.db2.gz LGJJQXJXWHNXJY-UHFFFAOYSA-N 1 0 378.480 2.846 20 0 GFADRO CC(C)[C@H](C(=O)Nc1ccc(OCc2cccc(-c3nn[nH]n3)c2)cc1)[NH+](C)C ZINC000735691748 606729799 /nfs/dbraw/zinc/72/97/99/606729799.db2.gz PLWLDWHMYGVGHH-LJQANCHMSA-N 1 0 394.479 2.970 20 0 GFADRO CC(C)(C)OC(=O)N1CCC(C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)CC1 ZINC000819933328 606738956 /nfs/dbraw/zinc/73/89/56/606738956.db2.gz NVXQMYUHCDKAQL-UHFFFAOYSA-N 1 0 390.463 2.743 20 0 GFADRO CC[C@@H]([NH2+]Cc1ccc(-c2nn[nH]n2)cc1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000820925325 606742077 /nfs/dbraw/zinc/74/20/77/606742077.db2.gz GSXUGTQGQYTRKJ-RTWAWAEBSA-N 1 0 392.507 2.636 20 0 GFADRO O=C(O[C@H]1CC[N@H+](Cc2ccccc2)C1)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000823391960 606750027 /nfs/dbraw/zinc/75/00/27/606750027.db2.gz JPZOXFFHSZFHDH-AWEZNQCLSA-N 1 0 385.374 2.576 20 0 GFADRO Cc1cc(-c2nn[nH]n2)ccc1Oc1ccc(C(=O)N2CC[C@H]([NH+](C)C)C2)cc1 ZINC000822136333 606791346 /nfs/dbraw/zinc/79/13/46/606791346.db2.gz LOZLOOUYBSXGCM-KRWDZBQOSA-N 1 0 392.463 2.744 20 0 GFADRO CC(C)c1cccc(C(=O)N(CC[NH+](C)C)Cc2ccc(-c3nn[nH]n3)cc2)n1 ZINC000820192554 606796220 /nfs/dbraw/zinc/79/62/20/606796220.db2.gz TXLRALQDRXLVMI-UHFFFAOYSA-N 1 0 393.495 2.589 20 0 GFADRO CN(C(=O)Nc1ccc(F)c(-c2nn[nH]n2)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000821572081 606806337 /nfs/dbraw/zinc/80/63/37/606806337.db2.gz QQQFRPYRKIGBHX-INIZCTEOSA-N 1 0 395.442 2.744 20 0 GFADRO CN(C(=O)Nc1ccc(F)c(-c2nn[nH]n2)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000821572082 606806565 /nfs/dbraw/zinc/80/65/65/606806565.db2.gz QQQFRPYRKIGBHX-MRXNPFEDSA-N 1 0 395.442 2.744 20 0 GFADRO CCCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000821104978 606811108 /nfs/dbraw/zinc/81/11/08/606811108.db2.gz UGSCZWHPDCPSSG-QAPCUYQASA-N 1 0 385.516 2.517 20 0 GFADRO C[N@@H+](Cc1ccc(OC(F)F)cc1)C[C@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821611188 606844237 /nfs/dbraw/zinc/84/42/37/606844237.db2.gz VAKHLJMAKLHBEC-INIZCTEOSA-N 1 0 375.379 2.634 20 0 GFADRO O[C@@H](C[NH2+]CC1(N2CCCCC2)CCCCC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823682245 606844679 /nfs/dbraw/zinc/84/46/79/606844679.db2.gz OUYZKXRTSYXOLI-IBGZPJMESA-N 1 0 384.528 2.679 20 0 GFADRO Cc1nc2sccn2c1C[N@H+](C)CCCOc1ccc(-c2nn[nH]n2)cc1 ZINC000822467309 606845862 /nfs/dbraw/zinc/84/58/62/606845862.db2.gz LEQPYBVGRWVLKT-UHFFFAOYSA-N 1 0 383.481 2.785 20 0 GFADRO CCN(CC)[C@@H](C[NH2+]C[C@H](O)c1ccc(-c2nn[nH]n2)cc1)c1ccccc1 ZINC000821182739 606845957 /nfs/dbraw/zinc/84/59/57/606845957.db2.gz YKWKUINERDUGAG-PMACEKPBSA-N 1 0 380.496 2.573 20 0 GFADRO O[C@@H](C[NH+]1CCC(OCc2ccccc2)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823675539 606849578 /nfs/dbraw/zinc/84/95/78/606849578.db2.gz XGJFGHYWIREPBT-FQEVSTJZSA-N 1 0 379.464 2.581 20 0 GFADRO O[C@@H](C[N@@H+](Cc1cccc(F)c1)C[C@@H]1CCCO1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823675660 606890655 /nfs/dbraw/zinc/89/06/55/606890655.db2.gz YZMZDBDARIJNIV-PMACEKPBSA-N 1 0 397.454 2.720 20 0 GFADRO CCc1nccn1[C@@H]1CCC[N@H+](CCCOc2cccc(-c3nn[nH]n3)c2)C1 ZINC000821516802 606895890 /nfs/dbraw/zinc/89/58/90/606895890.db2.gz CCHGNOCAXPIBPH-QGZVFWFLSA-N 1 0 381.484 2.732 20 0 GFADRO O[C@@H](C[N@@H+]1CC[C@H](OCCCc2ccccc2)C1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823675610 606910197 /nfs/dbraw/zinc/91/01/97/606910197.db2.gz YJFMKNWBCLPXTA-SFTDATJTSA-N 1 0 393.491 2.624 20 0 GFADRO O[C@@H](C[C@@H]1CCCCC[N@@H+]1C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1)c1ccco1 ZINC000823681777 606912320 /nfs/dbraw/zinc/91/23/20/606912320.db2.gz KOJQPIGUWHLDSX-GBESFXJTSA-N 1 0 397.479 2.861 20 0 GFADRO O[C@H](C[N@@H+]1CCn2cccc2[C@H]1c1ccccc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823680935 606919798 /nfs/dbraw/zinc/91/97/98/606919798.db2.gz BKBRHDIEWWUHDS-NHCUHLMSSA-N 1 0 386.459 2.807 20 0 GFADRO CCc1nnc(NC[C@@H](C)[N@@H+]2CCc3sccc3C2)c(-c2nn[nH]n2)c1CC ZINC000821535318 606921059 /nfs/dbraw/zinc/92/10/59/606921059.db2.gz HPODABHKAWPOSM-GFCCVEGCSA-N 1 0 398.540 2.702 20 0 GFADRO CC[C@@H](C(=O)Nc1ccc(Oc2ncccc2-c2nn[nH]n2)cc1C)[NH+](C)C ZINC000820842990 606969133 /nfs/dbraw/zinc/96/91/33/606969133.db2.gz RSSJYQOEEPNVBG-INIZCTEOSA-N 1 0 381.440 2.641 20 0 GFADRO C[N@@H+]1CCC[C@@H]2CN(c3c(-c4nn[nH]n4)cnc4ccc(Cl)cc43)CC[C@@H]21 ZINC000821625387 607030664 /nfs/dbraw/zinc/03/06/64/607030664.db2.gz MJKBLULVVONOTH-PXAZEXFGSA-N 1 0 383.887 2.989 20 0 GFADRO c1ccc(C[N@@H+]2CCC[C@H]3CN(c4ncccc4-c4nn[nH]n4)CC[C@H]32)cc1 ZINC000823779339 607032012 /nfs/dbraw/zinc/03/20/12/607032012.db2.gz AOKQHKNPSVFTFQ-PKOBYXMFSA-N 1 0 375.480 2.753 20 0 GFADRO CC(C)Oc1ccc(-c2nn[nH]n2)cc1NC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000820152048 607064588 /nfs/dbraw/zinc/06/45/88/607064588.db2.gz RXIJUZSYTFMRHL-RDJZCZTQSA-N 1 0 399.499 2.602 20 0 GFADRO COc1ccccc1NC(=O)C[C@H](C)[NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1 ZINC000821896787 607088820 /nfs/dbraw/zinc/08/88/20/607088820.db2.gz BIUMPELURICWEB-KBPBESRZSA-N 1 0 380.452 2.943 20 0 GFADRO CCOc1ccccc1NC(=O)CC[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000821436812 607101385 /nfs/dbraw/zinc/10/13/85/607101385.db2.gz FWTJMOXGTIULAL-UHFFFAOYSA-N 1 0 380.452 2.726 20 0 GFADRO Fc1ccc(CC[N@@H+]2CCCN(c3ccccc3-c3nn[nH]n3)CC2)cc1F ZINC000822767106 607173952 /nfs/dbraw/zinc/17/39/52/607173952.db2.gz WVUSMFBOYLRYPE-UHFFFAOYSA-N 1 0 384.434 2.900 20 0 GFADRO C[C@@H]1C[N@@H+](CCCNc2cc(-c3nn[nH]n3)ccc2C(F)(F)F)C[C@H](C)O1 ZINC000820761052 607227130 /nfs/dbraw/zinc/22/71/30/607227130.db2.gz VVFUPIFROCIHSU-TXEJJXNPSA-N 1 0 384.406 2.797 20 0 GFADRO O=C(Oc1ccc(-c2nn[nH]n2)cc1F)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000823451125 607246601 /nfs/dbraw/zinc/24/66/01/607246601.db2.gz VNOFWVQLFWEBOF-INIZCTEOSA-N 1 0 381.411 2.823 20 0 GFADRO CC1(c2ccccc2)CC[NH+](CC(=O)Nc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000824843818 607800685 /nfs/dbraw/zinc/80/06/85/607800685.db2.gz KUSZMMKQPJFZLK-UHFFFAOYSA-N 1 0 376.464 2.859 20 0 GFADRO COc1ccc([C@@H](CNc2cnccc2-c2nn[nH]n2)[NH+]2CCCCC2)cc1 ZINC000826189171 607838737 /nfs/dbraw/zinc/83/87/37/607838737.db2.gz OWIZBNKQNWGZJZ-LJQANCHMSA-N 1 0 379.468 2.909 20 0 GFADRO CC(C)OCC[NH+]1CCC(Nc2ccc3cc(-c4nn[nH]n4)ccc3n2)CC1 ZINC000824315460 607842542 /nfs/dbraw/zinc/84/25/42/607842542.db2.gz NZNOYGXESLJFQX-UHFFFAOYSA-N 1 0 381.484 2.716 20 0 GFADRO C[NH+](C)CCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)[C@H]1CCCC(C)(C)C1 ZINC000825866287 607882853 /nfs/dbraw/zinc/88/28/53/607882853.db2.gz UWEOIEGMGMQRPI-SFHVURJKSA-N 1 0 384.528 2.973 20 0 GFADRO CC[C@H]1Oc2cc([C@H](C)[NH2+]Cc3ccccc3-c3nn[nH]n3)ccc2NC1=O ZINC000825219253 607910108 /nfs/dbraw/zinc/91/01/08/607910108.db2.gz IPGNPCRXHRWABV-YVEFUNNKSA-N 1 0 378.436 2.827 20 0 GFADRO COCC[N@H+](Cc1cccc(C(=O)OC)c1-c1nn[nH]n1)[C@@H](C)c1ccccc1 ZINC000826158907 607921950 /nfs/dbraw/zinc/92/19/50/607921950.db2.gz IILBZVMPEYMZIA-HNNXBMFYSA-N 1 0 395.463 2.863 20 0 GFADRO O[C@@H]1C[C@H](c2ccc(F)cc2)[N@H+](Cc2cn3ccccc3c2-c2nn[nH]n2)C1 ZINC000826506355 607943641 /nfs/dbraw/zinc/94/36/41/607943641.db2.gz SPBWKYWLKTYSMU-SJLPKXTDSA-N 1 0 378.411 2.566 20 0 GFADRO CC[C@@H](CC(=O)Nc1n[nH]c(CCC[NH2+]C)c1-c1nn[nH]n1)c1ccc(C)cc1 ZINC000825081147 608021829 /nfs/dbraw/zinc/02/18/29/608021829.db2.gz GTNZDOSFYMLBLK-AWEZNQCLSA-N 1 0 396.499 2.573 20 0 GFADRO Cc1ccc2ccccc2c1C[N@H+](C)CCCc1[nH]nc(N)c1-c1nn[nH]n1 ZINC000826295108 608035448 /nfs/dbraw/zinc/03/54/48/608035448.db2.gz ROQVGNQLFKKZOS-UHFFFAOYSA-N 1 0 376.468 2.698 20 0 GFADRO COc1ccc([C@](C)(O)[C@H]2CCC[N@@H+]2Cc2ccccc2-c2nn[nH]n2)cc1 ZINC000826188129 608064410 /nfs/dbraw/zinc/06/44/10/608064410.db2.gz OGVXEQHSQWDGSS-CTNGQTDRSA-N 1 0 379.464 2.747 20 0 GFADRO Clc1ccccc1C1(C[NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)CC1 ZINC000826353203 608114018 /nfs/dbraw/zinc/11/40/18/608114018.db2.gz GFRCDJATUGLZTN-UHFFFAOYSA-N 1 0 379.855 2.989 20 0 GFADRO O=C1[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CCN1c1ccc(Cl)c(F)c1 ZINC000826476110 608114419 /nfs/dbraw/zinc/11/44/19/608114419.db2.gz AXSMXAFLADGAOJ-CYBMUJFWSA-N 1 0 392.847 2.616 20 0 GFADRO C[C@@H]1C[C@@H](CC[NH2+]Cc2cn(C)nc2-c2ccc(-c3nn[nH]n3)cc2)CCO1 ZINC000824883703 608135709 /nfs/dbraw/zinc/13/57/09/608135709.db2.gz IUVYUVGUDYXIAD-CABCVRRESA-N 1 0 381.484 2.562 20 0 GFADRO CC(C)C[C@@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)[NH2+][C@@H](C)c1ccccc1 ZINC000824236425 608153777 /nfs/dbraw/zinc/15/37/77/608153777.db2.gz NRIJYCRJFGDYAA-HOCLYGCPSA-N 1 0 381.484 2.690 20 0 GFADRO O=C(CCc1ccc(-c2nn[nH]n2)cc1)OC[C@@H]1CCC[N@@H+]1Cc1ccco1 ZINC000826408398 608249170 /nfs/dbraw/zinc/24/91/70/608249170.db2.gz DQEQOQCXFDLXNJ-KRWDZBQOSA-N 1 0 381.436 2.600 20 0 GFADRO FC(F)(F)c1ccc(O[C@@H]2CC[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C2)nc1 ZINC000826369242 608269076 /nfs/dbraw/zinc/26/90/76/608269076.db2.gz TUZWTQCWDCGMOV-OAHLLOKOSA-N 1 0 390.369 2.934 20 0 GFADRO C[C@H](C[C@H](C)[NH2+]CCOc1ccc(-c2nn[nH]n2)cc1)NC(=O)OC(C)(C)C ZINC000824390527 608279655 /nfs/dbraw/zinc/27/96/55/608279655.db2.gz AUWRKKUSQZJAQJ-UONOGXRCSA-N 1 0 390.488 2.527 20 0 GFADRO COCCc1nc(C)c([C@H](C)[NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)s1 ZINC000826163468 608285562 /nfs/dbraw/zinc/28/55/62/608285562.db2.gz WKQHRFPTPDQOMK-JTQLQIEISA-N 1 0 376.461 2.810 20 0 GFADRO NC(=O)c1cccc(C[NH2+]Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)c1 ZINC000826393827 608311073 /nfs/dbraw/zinc/31/10/73/608311073.db2.gz LEFZHMVUQGMJNK-UHFFFAOYSA-N 1 0 384.443 2.922 20 0 GFADRO Cc1nn(-c2ccccc2)c(CN(C)C2CC[NH+](C(C)C)CC2)c1-c1nn[nH]n1 ZINC000826332170 608312744 /nfs/dbraw/zinc/31/27/44/608312744.db2.gz LSFXEYBQEZDSNS-UHFFFAOYSA-N 1 0 394.527 2.665 20 0 GFADRO COC[C@H]([NH2+]Cc1ccc(OC)c(-c2nn[nH]n2)c1)c1ccc(F)c(F)c1 ZINC000826150428 608314441 /nfs/dbraw/zinc/31/44/41/608314441.db2.gz DQFFPIFPWCTZFC-INIZCTEOSA-N 1 0 375.379 2.631 20 0 GFADRO C[NH+](C)CCCC1CCN(C(=O)CSc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000825860584 608315219 /nfs/dbraw/zinc/31/52/19/608315219.db2.gz SFLDRXUZHHZKCG-UHFFFAOYSA-N 1 0 388.541 2.539 20 0 GFADRO COc1cc(-c2nn[nH]n2)ccc1C[N@H+](C)[C@H](C)c1ccc(-n2cncn2)cc1 ZINC000826167728 608354427 /nfs/dbraw/zinc/35/44/27/608354427.db2.gz OWEUOFPWQMUAMD-CQSZACIVSA-N 1 0 390.451 2.649 20 0 GFADRO COc1cc(-c2nn[nH]n2)ccc1CN1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000826168898 608356841 /nfs/dbraw/zinc/35/68/41/608356841.db2.gz BNQLHQSLFADDGX-QGZVFWFLSA-N 1 0 384.528 2.819 20 0 GFADRO COc1cc(-c2nn[nH]n2)ccc1C[N@@H+]1CCC[C@@H]1C[C@H](O)c1ccccc1 ZINC000826169125 608367791 /nfs/dbraw/zinc/36/77/91/608367791.db2.gz IYSOWLYCSWRFOB-MOPGFXCFSA-N 1 0 379.464 2.963 20 0 GFADRO O[C@]1(Cc2cccc(Cl)c2)CC[N@H+](Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC000826506502 608380183 /nfs/dbraw/zinc/38/01/83/608380183.db2.gz VXYKMKGRJNUQKK-IBGZPJMESA-N 1 0 387.846 2.839 20 0 GFADRO COc1ccc(-c2nn[nH]n2)cc1C[N@@H+]1CC[C@](O)(Cc2cccc(Cl)c2)C1 ZINC000826182405 608381077 /nfs/dbraw/zinc/38/10/77/608381077.db2.gz JATCOJRCBSLCDF-FQEVSTJZSA-N 1 0 399.882 2.708 20 0 GFADRO CC[C@H]([NH2+]Cc1cccc(C(=O)OC)c1-c1nn[nH]n1)c1ccc(OC)cc1 ZINC000825147286 608426207 /nfs/dbraw/zinc/42/62/07/608426207.db2.gz HKTWYSSXXJJADA-KRWDZBQOSA-N 1 0 381.436 2.903 20 0 GFADRO COc1cccc([C@H](C)[NH2+]CC(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)c1 ZINC000826214369 608432487 /nfs/dbraw/zinc/43/24/87/608432487.db2.gz JNSZPVJXUXVRFG-NSHDSACASA-N 1 0 386.843 2.818 20 0 GFADRO C[C@@H]([NH2+]CC(=O)Nc1sccc1-c1nn[nH]n1)c1ccc(OC(F)F)cc1 ZINC000824562030 608445759 /nfs/dbraw/zinc/44/57/59/608445759.db2.gz BSHKIBMLVKTCET-SECBINFHSA-N 1 0 394.407 2.819 20 0 GFADRO COc1cc([C@@H](C)[NH2+]CCOc2ccccc2-c2nn[nH]n2)cc(OC)c1OC ZINC000826177478 608449796 /nfs/dbraw/zinc/44/97/96/608449796.db2.gz KATKZKMIAOXZHR-CYBMUJFWSA-N 1 0 399.451 2.622 20 0 GFADRO C[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2OC(F)F)C[C@@H]1n1ccnc1 ZINC000824954393 608452751 /nfs/dbraw/zinc/45/27/51/608452751.db2.gz JVTJNXYLTPANMQ-DOMZBBRYSA-N 1 0 389.410 2.748 20 0 GFADRO C[C@@H]([NH2+]CC(=O)Nc1nc2ccccc2s1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824562076 608462306 /nfs/dbraw/zinc/46/23/06/608462306.db2.gz CQJALMVYBGJXDJ-LLVKDONJSA-N 1 0 379.449 2.766 20 0 GFADRO C[C@@H]([NH2+]CCOc1ccccc1-c1nn[nH]n1)c1cccc(N2CCCC2=O)c1 ZINC000824600243 608475872 /nfs/dbraw/zinc/47/58/72/608475872.db2.gz YPHNCTBMPYORSM-OAHLLOKOSA-N 1 0 392.463 2.723 20 0 GFADRO Cc1ccc(S(=O)(=O)CCC[NH2+][C@H](C)c2cccc(-c3nn[nH]n3)c2)cc1 ZINC000826292886 608483759 /nfs/dbraw/zinc/48/37/59/608483759.db2.gz QQPMEWTYCBWXAH-OAHLLOKOSA-N 1 0 385.493 2.690 20 0 GFADRO C[C@@H]([NH2+]CC(=O)N1CCSc2ccccc21)c1cccc(-c2nn[nH]n2)c1 ZINC000824553627 608484026 /nfs/dbraw/zinc/48/40/26/608484026.db2.gz DUTATEVVBRCCEE-CYBMUJFWSA-N 1 0 380.477 2.656 20 0 GFADRO COc1ccc(CN2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)cc1C ZINC000826195581 608501847 /nfs/dbraw/zinc/50/18/47/608501847.db2.gz YTKDAELPFPPFAY-UHFFFAOYSA-N 1 0 378.480 2.502 20 0 GFADRO O=S(=O)(CCC[NH2+][C@H]1CCCc2cc(-c3nn[nH]n3)ccc21)c1ccccc1 ZINC000826484674 608505760 /nfs/dbraw/zinc/50/57/60/608505760.db2.gz LACCOHNEOJRXMU-IBGZPJMESA-N 1 0 397.504 2.698 20 0 GFADRO Fc1cccc(F)c1CN1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826377587 608509591 /nfs/dbraw/zinc/50/95/91/608509591.db2.gz XXMTUXRSCHHVAY-UHFFFAOYSA-N 1 0 384.434 2.853 20 0 GFADRO CN(C)C1(C[NH2+][C@H]2CCCc3cc(-c4nn[nH]n4)ccc32)Cc2ccccc2C1 ZINC000825848295 608514386 /nfs/dbraw/zinc/51/43/86/608514386.db2.gz BTPHFCCUXFYTJH-NRFANRHFSA-N 1 0 388.519 2.933 20 0 GFADRO CC[C@@H]1CN(C(=O)C2CC2)CC[C@H]1[NH2+][C@H]1CCCc2cc(-c3nn[nH]n3)ccc21 ZINC000825201185 608514529 /nfs/dbraw/zinc/51/45/29/608514529.db2.gz FGOLETFCJIJAMB-XMCHAPAWSA-N 1 0 394.523 2.871 20 0 GFADRO COc1ccc2c(C[NH2+]C3(c4cccc(-c5nn[nH]n5)c4)CC3)cc(=O)oc2c1 ZINC000826212671 608529245 /nfs/dbraw/zinc/52/92/45/608529245.db2.gz XSCTUJHWAYKLLB-UHFFFAOYSA-N 1 0 389.415 2.761 20 0 GFADRO Cc1ccc([C@@H](C)NC(=O)C[NH2+]C2(c3cccc(-c4nn[nH]n4)c3)CC2)cc1C ZINC000826283506 608532623 /nfs/dbraw/zinc/53/26/23/608532623.db2.gz SONDYMACGWXFCX-MRXNPFEDSA-N 1 0 390.491 2.940 20 0 GFADRO CC(C)([NH2+]CC(=O)NCc1cccc(-c2nn[nH]n2)c1)c1cccc(Cl)c1 ZINC000824167159 608534968 /nfs/dbraw/zinc/53/49/68/608534968.db2.gz NSKDNVDDMLZAQL-UHFFFAOYSA-N 1 0 384.871 2.661 20 0 GFADRO CC[C@H]1Oc2cc([C@H](C)[NH2+]Cc3ccc(F)c(-c4nn[nH]n4)c3)ccc2NC1=O ZINC000825219664 608538043 /nfs/dbraw/zinc/53/80/43/608538043.db2.gz LITRLXZYTKJROV-APPDUMDISA-N 1 0 396.426 2.966 20 0 GFADRO O[C@H](C[NH2+][C@@H](C[C@@H]1CCOC1)c1ccccc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000826502442 608553137 /nfs/dbraw/zinc/55/31/37/608553137.db2.gz CRNCQTHTIZMOGN-RYGJVYDSSA-N 1 0 379.464 2.658 20 0 GFADRO C[C@@H]([NH2+]CC(=O)Nc1cccc(-c2nn[nH]n2)c1)c1cccc(N2CCCC2)c1 ZINC000824563096 608554482 /nfs/dbraw/zinc/55/44/82/608554482.db2.gz LEHJFGAGLWWJFC-OAHLLOKOSA-N 1 0 391.479 2.756 20 0 GFADRO CC(C)(C)n1cc(C[NH2+]C2CCC(Oc3ccc(-c4nn[nH]n4)cn3)CC2)cn1 ZINC000824148253 608569209 /nfs/dbraw/zinc/56/92/09/608569209.db2.gz PTIBGJZNYZMMPB-UHFFFAOYSA-N 1 0 396.499 2.693 20 0 GFADRO CC1(C)CCc2ccccc2[C@H]1[NH2+]C[C@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000824807173 608579606 /nfs/dbraw/zinc/57/96/06/608579606.db2.gz FXNTWMLOSRIVPL-FXAWDEMLSA-N 1 0 393.491 2.910 20 0 GFADRO CCOc1cccc(C[NH+]2CCN(c3cccc(F)c3-c3nn[nH]n3)CC2)c1 ZINC000825649230 608594997 /nfs/dbraw/zinc/59/49/97/608594997.db2.gz MGDHQZDMEFCRHR-UHFFFAOYSA-N 1 0 382.443 2.727 20 0 GFADRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)c1ccccc1-c1ccccc1-c1nn[nH]n1 ZINC000824975386 608634864 /nfs/dbraw/zinc/63/48/64/608634864.db2.gz JZRFBCKSAVVONG-LSDHHAIUSA-N 1 0 376.464 2.698 20 0 GFADRO COc1ccccc1C[NH+]1CCC(C(=O)Nc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000826219603 608660223 /nfs/dbraw/zinc/66/02/23/608660223.db2.gz JPNBAMZOHHYTRI-UHFFFAOYSA-N 1 0 392.463 2.726 20 0 GFADRO O=C(Nc1cccc(F)c1)C1CC[NH+](Cc2cc(-c3nn[nH]n3)cs2)CC1 ZINC000826456404 608665482 /nfs/dbraw/zinc/66/54/82/608665482.db2.gz CAHCOOYQAWLWGC-UHFFFAOYSA-N 1 0 386.456 2.918 20 0 GFADRO CN(C(=O)OC(C)(C)C)C1CC[NH+](Cc2cc(-c3nn[nH]n3)cs2)CC1 ZINC000825825794 608694484 /nfs/dbraw/zinc/69/44/84/608694484.db2.gz JEFUOIRAAUPOEN-UHFFFAOYSA-N 1 0 378.502 2.760 20 0 GFADRO CC(=O)N1CCCCC[C@@H]1C1CC[NH+](Cc2cc(-c3nn[nH]n3)cs2)CC1 ZINC000823981000 608697185 /nfs/dbraw/zinc/69/71/85/608697185.db2.gz IWATXXWQGLXADT-GOSISDBHSA-N 1 0 388.541 2.931 20 0 GFADRO OCC[C@H]1CC[N@H+](Cc2cccc(OCc3cccc(-c4nn[nH]n4)c3)c2)C1 ZINC000826508737 608706529 /nfs/dbraw/zinc/70/65/29/608706529.db2.gz AKFVSHSXIARBAB-MRXNPFEDSA-N 1 0 379.464 2.650 20 0 GFADRO CC(C)[C@@H](CO)[N@H+](Cc1cnc2ccc(-c3nn[nH]n3)cn12)Cc1ccccc1 ZINC000824192219 608711778 /nfs/dbraw/zinc/71/17/78/608711778.db2.gz ISAITMQQOPKMJU-LJQANCHMSA-N 1 0 391.479 2.534 20 0 GFADRO COc1ccccc1[C@@H]1CC[N@H+](Cc2cnc3ccc(-c4nn[nH]n4)cn23)C1 ZINC000826218896 608720987 /nfs/dbraw/zinc/72/09/87/608720987.db2.gz NRCKWRKXSOWWPT-CQSZACIVSA-N 1 0 375.436 2.513 20 0 GFADRO COc1ccccc1[C@H]1CC[N@H+](Cc2cnc3ccc(-c4nn[nH]n4)cn23)C1 ZINC000826218895 608721825 /nfs/dbraw/zinc/72/18/25/608721825.db2.gz NRCKWRKXSOWWPT-AWEZNQCLSA-N 1 0 375.436 2.513 20 0 GFADRO COc1ccc(C[N@@H+]2CCC[C@H]2Cn2cnc3ccccc32)cc1-c1nn[nH]n1 ZINC000826194332 608802008 /nfs/dbraw/zinc/80/20/08/608802008.db2.gz JFSSNIFXZFWIPD-INIZCTEOSA-N 1 0 389.463 2.890 20 0 GFADRO C[C@@H]([NH2+]Cc1cccc(C(=O)NC2CC2)c1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824617049 609138660 /nfs/dbraw/zinc/13/86/60/609138660.db2.gz CHDAZDAVGXXUHL-GFCCVEGCSA-N 1 0 380.427 2.749 20 0 GFADRO C[C@H](C(=O)Nc1cccc(-c2nn[nH]n2)c1)[N@@H+]1CC[C@@H](COc2ccccc2)C1 ZINC000824047094 609147564 /nfs/dbraw/zinc/14/75/64/609147564.db2.gz XEEPPTOHKFECDO-HZPDHXFCSA-N 1 0 392.463 2.595 20 0 GFADRO C[C@@H]([NH2+]C[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824578823 609155092 /nfs/dbraw/zinc/15/50/92/609155092.db2.gz WXJPEVOSFRTDRL-ZBFHGGJFSA-N 1 0 394.454 2.705 20 0 GFADRO C[C@H](NC(=O)C=Cc1ccccc1-c1nn[nH]n1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000824477606 609287190 /nfs/dbraw/zinc/28/71/90/609287190.db2.gz APXBHQPHPIBDNT-PDOXMOPTSA-N 1 0 380.496 2.649 20 0 GFADRO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2ccc(Cl)c(-c3nn[nH]n3)c2)C1 ZINC000824935404 609289449 /nfs/dbraw/zinc/28/94/49/609289449.db2.gz APWVZIODLYTRKL-LBPRGKRZSA-N 1 0 376.892 2.760 20 0 GFADRO C[C@H](NC(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)c1cccc(-c2nn[nH]n2)c1 ZINC000824490439 609303177 /nfs/dbraw/zinc/30/31/77/609303177.db2.gz PKEFNWIJSZSNIW-RLFYNMQTSA-N 1 0 397.527 2.880 20 0 GFADRO CCc1nnc(N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c(-c2nn[nH]n2)c1CC ZINC000825768040 609315148 /nfs/dbraw/zinc/31/51/48/609315148.db2.gz ZCIQYQKUPVMZHY-KBPBESRZSA-N 1 0 384.532 2.846 20 0 GFADRO CC(C)CN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)N[C@@H](C)C1=CC[N@H+](C)CC1 ZINC000824255616 609315855 /nfs/dbraw/zinc/31/58/55/609315855.db2.gz QCUCFNJFZHOYSX-INIZCTEOSA-N 1 0 397.527 2.685 20 0 GFADRO C[C@H]([NH2+]C[C@@H](c1ccccc1)N1CCOCC1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824573504 609324746 /nfs/dbraw/zinc/32/47/46/609324746.db2.gz ZOUPUTDPWXTXBO-YWZLYKJASA-N 1 0 396.470 2.730 20 0 GFADRO CCC(CC)[C@H](C[NH2+][C@H](C)c1ccc(-c2nn[nH]n2)cc1F)N1CCOCC1 ZINC000825094718 609326377 /nfs/dbraw/zinc/32/63/77/609326377.db2.gz AMRWBLZAWPVYIM-KUHUBIRLSA-N 1 0 390.507 2.793 20 0 GFADRO CCOCCC[N@@H+]1CC[C@H](N[C@@H](C)c2ccc(-c3nn[nH]n3)cc2F)[C@H](C)C1 ZINC000825594269 609336328 /nfs/dbraw/zinc/33/63/28/609336328.db2.gz JFOPYYLWNIQMMP-VCBZYWHSSA-N 1 0 390.507 2.793 20 0 GFADRO CC[C@@H]1CN(C(=O)C2CC2)CC[C@H]1[NH2+][C@@H](C)c1ccc(-c2nn[nH]n2)cc1F ZINC000825204944 609338965 /nfs/dbraw/zinc/33/89/65/609338965.db2.gz UKPHLTFZXASYDE-VEVIJQCQSA-N 1 0 386.475 2.694 20 0 GFADRO CC[C@@H]1CN(C(=O)C(C)C)CC[C@H]1[NH2+][C@@H](C)c1ccc(-c2nn[nH]n2)cc1F ZINC000825203529 609339190 /nfs/dbraw/zinc/33/91/90/609339190.db2.gz NHRQDIMAOQRWLT-PMUMKWKESA-N 1 0 388.491 2.940 20 0 GFADRO Cn1cc(C[NH2+]CC2Cc3ccccc3C2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826361609 609340801 /nfs/dbraw/zinc/34/08/01/609340801.db2.gz FMOPVXGVFFWOLJ-UHFFFAOYSA-N 1 0 385.475 2.772 20 0 GFADRO C[C@H](NCC1([NH+]2CCCCC2)CCOCC1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824576994 609340864 /nfs/dbraw/zinc/34/08/64/609340864.db2.gz FTDSRDGBIPSPEC-HNNXBMFYSA-N 1 0 388.491 2.692 20 0 GFADRO CCO[C@H](CC[NH2+]Cc1cn(C)nc1-c1ccc(-c2nn[nH]n2)cc1)C(C)C ZINC000825576824 609341148 /nfs/dbraw/zinc/34/11/48/609341148.db2.gz OGLJPIOSFDOESB-GOSISDBHSA-N 1 0 383.500 2.808 20 0 GFADRO Brc1cc(-c2nn[nH]n2)ccc1CN1CCC[C@H]([NH+]2CCCC2)C1 ZINC000823821216 609358152 /nfs/dbraw/zinc/35/81/52/609358152.db2.gz PKIFNQUJFLCJDS-HNNXBMFYSA-N 1 0 391.317 2.689 20 0 GFADRO CCOC[C@@H]1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2Br)C1 ZINC000825589887 609361472 /nfs/dbraw/zinc/36/14/72/609361472.db2.gz LSOSZRKVRKOSIS-GFCCVEGCSA-N 1 0 380.290 2.878 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)Cc2ccc(-c3nn[nH]n3)cc2Br)C[C@@H]1C ZINC000825454030 609364035 /nfs/dbraw/zinc/36/40/35/609364035.db2.gz YDELTTSFFOCHCU-SWLSCSKDSA-N 1 0 393.333 2.934 20 0 GFADRO O=C1[C@H]([NH2+]C[C@H]2C[C@@H]2c2ccccc2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476157 609415393 /nfs/dbraw/zinc/41/53/93/609415393.db2.gz BSNUXXPMHHJHDC-MISYRCLQSA-N 1 0 388.475 2.755 20 0 GFADRO O=C1[C@@H]([NH2+]C[C@@H]2CCc3ccccc32)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826477020 609415860 /nfs/dbraw/zinc/41/58/60/609415860.db2.gz UIQAQQGKIUAJOK-PXNSSMCTSA-N 1 0 388.475 2.682 20 0 GFADRO OC[C@H]([NH2+]Cc1ccc(F)cc1-c1nn[nH]n1)c1ccc(C(F)(F)F)cc1 ZINC000826508545 609429390 /nfs/dbraw/zinc/42/93/90/609429390.db2.gz SPRMLPNMGACKES-HNNXBMFYSA-N 1 0 381.333 2.848 20 0 GFADRO OC[C@@H]([NH2+]Cc1ccc(-c2nn[nH]n2)cc1Br)C1CCCCC1 ZINC000826508413 609429807 /nfs/dbraw/zinc/42/98/07/609429807.db2.gz OSEHENZJVQDTPL-OAHLLOKOSA-N 1 0 380.290 2.660 20 0 GFADRO COc1ccc2c(c1)C[C@H](C)[N@@H+](C[C@@H](O)c1ccc(-c3nn[nH]n3)cc1)[C@H]2C ZINC000826212270 609430892 /nfs/dbraw/zinc/43/08/92/609430892.db2.gz LHPNFGWAPMOWGW-PJSUUKDQSA-N 1 0 379.464 2.917 20 0 GFADRO C[C@@]1(COC(=O)c2ccc(-c3nn[nH]n3)[nH]2)CCCC[N@@H+]1Cc1ccccc1 ZINC000824832075 609436536 /nfs/dbraw/zinc/43/65/36/609436536.db2.gz QXAXMRRTASPWAQ-FQEVSTJZSA-N 1 0 380.452 2.796 20 0 GFADRO CC[NH+](CC)CCOc1ccccc1CNc1nccc(C)c1-c1nn[nH]n1 ZINC000825416524 609533327 /nfs/dbraw/zinc/53/33/27/609533327.db2.gz KAYOXJPPFFQRBP-UHFFFAOYSA-N 1 0 381.484 2.903 20 0 GFADRO Cc1c(Cl)cnc(N(CC[NH+](C)C)Cc2cccs2)c1-c1nn[nH]n1 ZINC000826237238 609574472 /nfs/dbraw/zinc/57/44/72/609574472.db2.gz SYSPNHINNBVFJO-UHFFFAOYSA-N 1 0 377.905 2.853 20 0 GFADRO O=C1[C@@H]([NH2+]C/C=C\c2ccc(F)cc2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826477046 609600998 /nfs/dbraw/zinc/60/09/98/609600998.db2.gz USVAHYURBDFWPZ-SOHNTWGLSA-N 1 0 392.438 2.804 20 0 GFADRO Cn1cc(C(=O)Nc2ccn(CC[NH+](C)C)n2)c(-c2ccc(Cl)s2)n1 ZINC000475259475 650530132 /nfs/dbraw/zinc/53/01/32/650530132.db2.gz ZLXKMQUVXBROCM-UHFFFAOYSA-N 1 0 378.889 2.812 20 0 GFADRO COc1ccc(CCC(=O)Nc2ccn(CC[NH+](C)C)n2)cc1Br ZINC000522721138 650626980 /nfs/dbraw/zinc/62/69/80/650626980.db2.gz GCUZZLKKAOFFKR-UHFFFAOYSA-N 1 0 395.301 2.787 20 0 GFADRO C[C@@H]1C[C@@H](C)[N@H+](CCCCS(C)(=O)=O)C[C@H]1CNC(=O)OC(C)(C)C ZINC000817294583 660189321 /nfs/dbraw/zinc/18/93/21/660189321.db2.gz WWODMGKDQOETLW-BZUAXINKSA-N 1 0 376.563 2.682 20 0 GFADRO CC[NH+]1CCN([C@@H](C)CNc2ncnc3cc(F)c(Br)cc32)CC1 ZINC000544352922 650939879 /nfs/dbraw/zinc/93/98/79/650939879.db2.gz FCHICHXHHZFZLN-LBPRGKRZSA-N 1 0 396.308 2.969 20 0 GFADRO C[C@H](Cc1ccc(F)cc1Cl)[NH2+]C1CCN(CCS(C)(=O)=O)CC1 ZINC000817578834 660201518 /nfs/dbraw/zinc/20/15/18/660201518.db2.gz YTGGHXSPVIIOTJ-CYBMUJFWSA-N 1 0 376.925 2.509 20 0 GFADRO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1cccc(S(=O)(=O)C(F)F)c1 ZINC000817524417 660199427 /nfs/dbraw/zinc/19/94/27/660199427.db2.gz VYWJQSVCWREZJQ-CYBMUJFWSA-N 1 0 376.469 2.923 20 0 GFADRO O=C(Nc1cccc(Cl)c1SC(F)F)C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000817988466 660212932 /nfs/dbraw/zinc/21/29/32/660212932.db2.gz RIGUNUFSNICDCR-UHFFFAOYSA-N 1 0 389.855 2.948 20 0 GFADRO CS(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H](CCC[NH3+])c2ccccc2)c1 ZINC000818005071 660213194 /nfs/dbraw/zinc/21/31/94/660213194.db2.gz MJUGPSLPNHVBJW-QGZVFWFLSA-N 1 0 380.897 2.954 20 0 GFADRO [NH3+]CCCCCCCn1cnc2ccc(I)cc2c1=O ZINC000818619605 660230296 /nfs/dbraw/zinc/23/02/96/660230296.db2.gz FSDTWOCYBXOHDV-UHFFFAOYSA-N 1 0 385.249 2.910 20 0 GFADRO CN(Cc1ccccc1)C(=O)C[NH2+]C[C@H](O)c1ccc(F)c(Br)c1 ZINC000818965157 660238854 /nfs/dbraw/zinc/23/88/54/660238854.db2.gz FNLROIMBBXGZKV-KRWDZBQOSA-N 1 0 395.272 2.870 20 0 GFADRO Cc1nc(SC(F)F)sc1CC(=O)Nc1ccnn1CC[NH+](C)C ZINC000818937713 660236025 /nfs/dbraw/zinc/23/60/25/660236025.db2.gz MLDOUHNFYFTSTJ-UHFFFAOYSA-N 1 0 375.470 2.706 20 0 GFADRO CNS(=O)(=O)c1ccc(C[NH2+]C[C@@H](O)c2ccc(Cl)cc2Cl)s1 ZINC000818947800 660236742 /nfs/dbraw/zinc/23/67/42/660236742.db2.gz KPXOHLPZMOMSCG-CYBMUJFWSA-N 1 0 395.333 2.786 20 0 GFADRO COc1cc(NC(=O)CC[NH2+]C[C@@H]2CC2(Cl)Cl)cc(OC)c1OC ZINC000818948904 660237018 /nfs/dbraw/zinc/23/70/18/660237018.db2.gz IMRRLMMTEVLNHH-JTQLQIEISA-N 1 0 377.268 2.824 20 0 GFADRO CCN(CC)C(=O)CCC[NH2+]C[C@@H](O)c1ccc(F)c(Br)c1 ZINC000818957466 660237799 /nfs/dbraw/zinc/23/77/99/660237799.db2.gz SFEVXZWYWPZALO-OAHLLOKOSA-N 1 0 375.282 2.860 20 0 GFADRO O=S(=O)(CC[NH2+]C[C@H](O)c1ccccc1Br)c1ccccc1 ZINC000818976533 660240373 /nfs/dbraw/zinc/24/03/73/660240373.db2.gz IMTXMSISPKBABM-INIZCTEOSA-N 1 0 384.295 2.546 20 0 GFADRO O=S(=O)(CCC[NH2+]C[C@H](O)c1ccc(Br)cc1)c1ccccc1 ZINC000818980736 660240802 /nfs/dbraw/zinc/24/08/02/660240802.db2.gz JOEUPMCBXQQMLF-KRWDZBQOSA-N 1 0 398.322 2.936 20 0 GFADRO COc1c(C)cnc(C[NH2+]C[C@H](O)COc2cccc(Br)c2)c1C ZINC000818988901 660241949 /nfs/dbraw/zinc/24/19/49/660241949.db2.gz UNFLXXUMPXTWPU-HNNXBMFYSA-N 1 0 395.297 2.999 20 0 GFADRO O[C@@H](C[NH2+]C1CCN(C[C@H]2CCCO2)CC1)c1cccc(Br)c1 ZINC000819061326 660245043 /nfs/dbraw/zinc/24/50/43/660245043.db2.gz KTDXFSVVISTFJC-MSOLQXFVSA-N 1 0 383.330 2.716 20 0 GFADRO CCS(=O)(=O)N1CCC(C[NH2+]C[C@H](O)c2ccc(Cl)cc2Cl)CC1 ZINC000819225370 660250907 /nfs/dbraw/zinc/25/09/07/660250907.db2.gz BDYNHBOKLUOVKK-INIZCTEOSA-N 1 0 395.352 2.678 20 0 GFADRO Cn1cc(N2CCC[C@@H]([NH2+]C[C@H](O)c3ccc(F)c(Br)c3)C2)cn1 ZINC000819105442 660246777 /nfs/dbraw/zinc/24/67/77/660246777.db2.gz MAJYZTDZZQFTOG-DYVFJYSZSA-N 1 0 397.292 2.614 20 0 GFADRO CC(C)OCCN1CCC([NH2+]C[C@H](O)c2cccc(Br)c2)CC1 ZINC000819129027 660247341 /nfs/dbraw/zinc/24/73/41/660247341.db2.gz XJANWJPNNFRLGC-SFHVURJKSA-N 1 0 385.346 2.962 20 0 GFADRO O[C@@H](C[NH2+][C@@H]1CCN(c2ncccc2F)C1)c1ccccc1Br ZINC000819150314 660247896 /nfs/dbraw/zinc/24/78/96/660247896.db2.gz QYFRPBNRBIQBSJ-WBMJQRKESA-N 1 0 380.261 2.885 20 0 GFADRO O=S1(=O)CCc2cc(C[NH2+]C[C@@H](O)c3ccccc3Br)ccc21 ZINC000819151628 660248142 /nfs/dbraw/zinc/24/81/42/660248142.db2.gz CFAAPWSYLDAUBL-MRXNPFEDSA-N 1 0 396.306 2.602 20 0 GFADRO CON(C)C(=O)[C@H](CCSC)[NH2+]C[C@H](O)c1ccc(Cl)cc1Cl ZINC000819170865 660248610 /nfs/dbraw/zinc/24/86/10/660248610.db2.gz CBMBXMBNDJPVJZ-KBPBESRZSA-N 1 0 381.325 2.758 20 0 GFADRO Cc1ncc(CC[NH2+]C[C@@H](O)COc2cc(F)cc(Br)c2)s1 ZINC000819178730 660249120 /nfs/dbraw/zinc/24/91/20/660249120.db2.gz DIHLGKRINJPFFW-CYBMUJFWSA-N 1 0 389.290 2.925 20 0 GFADRO CCO[C@@H]1C[C@H]([NH2+]C[C@@H](O)c2ccc(F)c(Br)c2)[C@@]12CCCO2 ZINC000819229877 660251202 /nfs/dbraw/zinc/25/12/02/660251202.db2.gz OUKJZPNVBFIKQU-TWMKSMIVSA-N 1 0 388.277 2.938 20 0 GFADRO O=C1[C@H]([NH2+]C[C@@H](O)c2ccc(F)cn2)CCN1c1ccc(Cl)c(Cl)c1 ZINC000819212188 660250374 /nfs/dbraw/zinc/25/03/74/660250374.db2.gz JNAHACWMNLRNSW-HZPDHXFCSA-N 1 0 384.238 2.956 20 0 GFADRO CC(C)(C)S(=O)(=O)N1CCC([NH2+]C[C@H](O)c2ccc(Cl)c(F)c2)CC1 ZINC000819263257 660252547 /nfs/dbraw/zinc/25/25/47/660252547.db2.gz UDCKCQBFRWMHCD-INIZCTEOSA-N 1 0 392.924 2.695 20 0 GFADRO CN(C[C@H](O)C[NH2+]CCc1cccc(Br)c1)C(=O)OC(C)(C)C ZINC000819360788 660256809 /nfs/dbraw/zinc/25/68/09/660256809.db2.gz LWCHUCQCKDUMCF-OAHLLOKOSA-N 1 0 387.318 2.809 20 0 GFADRO CNC(=O)C[C@@H]([NH2+]C[C@H](O)c1cccc(Br)c1)c1ccccc1 ZINC000819280583 660253593 /nfs/dbraw/zinc/25/35/93/660253593.db2.gz JUQICALYSUCNRO-SJORKVTESA-N 1 0 377.282 2.950 20 0 GFADRO CC(C)(C)OC(=O)NC[C@@](C)(O)C[NH2+]Cc1ccsc1Br ZINC000819294611 660253939 /nfs/dbraw/zinc/25/39/39/660253939.db2.gz ZZXRJSRBUXUAKG-AWEZNQCLSA-N 1 0 379.320 2.876 20 0 GFADRO Cn1ncc(CCC[NH2+]C[C@@](C)(O)c2ccc(Br)cc2Cl)n1 ZINC000819330809 660255082 /nfs/dbraw/zinc/25/50/82/660255082.db2.gz DYHGMCGYRSDGOJ-OAHLLOKOSA-N 1 0 387.709 2.661 20 0 GFADRO Cn1ccnc1[C@@H]1C[C@H]([NH2+]C[C@H](O)c2ccc(F)c(Br)c2)CCO1 ZINC000819362005 660257012 /nfs/dbraw/zinc/25/70/12/660257012.db2.gz SJRVOQDGVUMMHE-KCXAZCMYSA-N 1 0 398.276 2.865 20 0 GFADRO CN(CC[NH+](C)C)c1ccc(Br)cc1NC(=O)/C=C\[C@@H]1CCOC1 ZINC000819736206 660268402 /nfs/dbraw/zinc/26/84/02/660268402.db2.gz FBWLJRQFGYLLSD-HJHHMULASA-N 1 0 396.329 2.978 20 0 GFADRO C[N@@H+]1CCC[C@H]1[C@@H]1COCCN1C(=O)CSc1nc2ccccc2s1 ZINC000820459511 660294321 /nfs/dbraw/zinc/29/43/21/660294321.db2.gz UFRVQBDCCLJNCI-GJZGRUSLSA-N 1 0 377.535 2.710 20 0 GFADRO C[N@@H+]1CCC[C@]2(CCN(C(=O)c3cnn4cccc(Br)c34)C2)C1 ZINC000820609322 660299297 /nfs/dbraw/zinc/29/92/97/660299297.db2.gz QJFWHIIUPVNALS-KRWDZBQOSA-N 1 0 377.286 2.655 20 0 GFADRO C[C@@H]1CN(C(=O)c2nc(Br)c3ccccn32)CC[N@@H+](C2CC2)C1 ZINC000820874351 660309108 /nfs/dbraw/zinc/30/91/08/660309108.db2.gz NIJZJRRBHNPLFP-LBPRGKRZSA-N 1 0 377.286 2.653 20 0 GFADRO Cn1nc(Br)cc1NC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000821471742 660327254 /nfs/dbraw/zinc/32/72/54/660327254.db2.gz QXXAOPKXJFOKTC-UHFFFAOYSA-N 1 0 392.301 2.969 20 0 GFADRO COCC(C)(C)[NH+]1CCN(Cc2nc3ccccn3c2Br)CC1 ZINC000822497762 660346756 /nfs/dbraw/zinc/34/67/56/660346756.db2.gz LBIXMGCJKMIRRL-UHFFFAOYSA-N 1 0 381.318 2.639 20 0 GFADRO Fc1cc(Br)cc(-c2noc(-c3cn([C@H]4CCC[NH2+]C4)nn3)n2)c1 ZINC000822925818 660358231 /nfs/dbraw/zinc/35/82/31/660358231.db2.gz LMPCBIGOILHUKA-LBPRGKRZSA-N 1 0 393.220 2.821 20 0 GFADRO CN(C)c1nc(Cl)c(C(=O)NCc2ccc(OCC[NH+](C)C)cc2)s1 ZINC000823046377 660360637 /nfs/dbraw/zinc/36/06/37/660360637.db2.gz YCHHBQXELBGZOA-UHFFFAOYSA-N 1 0 382.917 2.733 20 0 GFADRO CC[C@@H]1[NH2+]CC[C@H]1c1nc(CC(=O)Nc2ccccc2Br)no1 ZINC000823075329 660361119 /nfs/dbraw/zinc/36/11/19/660361119.db2.gz PSXSXRAXNGEEIQ-PWSUYJOCSA-N 1 0 379.258 2.869 20 0 GFADRO COc1cc(NC(=O)NCCC2SCCS2)ccc1OCC[NH+](C)C ZINC000823830248 660381152 /nfs/dbraw/zinc/38/11/52/660381152.db2.gz MMXUETDMLQJGNU-UHFFFAOYSA-N 1 0 385.555 2.953 20 0 GFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]CCOC1CCC1 ZINC000823954801 660383218 /nfs/dbraw/zinc/38/32/18/660383218.db2.gz AULLTDCOFHTEGY-LBPRGKRZSA-N 1 0 385.302 2.621 20 0 GFADRO Cc1ccc2[nH]c(C(=O)N(CCO)C3CC[NH+](C)CC3)cc2c1Br ZINC000824152238 660386172 /nfs/dbraw/zinc/38/61/72/660386172.db2.gz TYSDDLHHGMUFJI-UHFFFAOYSA-N 1 0 394.313 2.768 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)c2cnn3cccc(Br)c23)C1 ZINC000824652019 660398714 /nfs/dbraw/zinc/39/87/14/660398714.db2.gz ROZZIEVKPFYUGP-GFCCVEGCSA-N 1 0 379.302 2.947 20 0 GFADRO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1CNc1ccc2c([nH+]1)CCC2 ZINC000825124348 660411686 /nfs/dbraw/zinc/41/16/86/660411686.db2.gz NWDXFDXGCXQOLN-ZDUSSCGKSA-N 1 0 380.901 2.700 20 0 GFADRO CC(C)(C)OC(=O)N1CCCO[C@H](C[NH2+][C@@H]2CC[C@H]3SCCS[C@H]23)C1 ZINC000825168643 660413168 /nfs/dbraw/zinc/41/31/68/660413168.db2.gz MUOIKGIOGGUEMX-KLHDSHLOSA-N 1 0 388.599 2.982 20 0 GFADRO CCN(C(=O)c1cc2cc(Br)cnc2n1C)[C@@H]1CC[N@H+](CC)C1 ZINC000825018462 660407637 /nfs/dbraw/zinc/40/76/37/660407637.db2.gz OTEBXTFMCDTOSH-CQSZACIVSA-N 1 0 379.302 2.892 20 0 GFADRO Cc1ccc(-n2nc(Br)cc2C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)cc1 ZINC000825196330 660414507 /nfs/dbraw/zinc/41/45/07/660414507.db2.gz DGGBJCNDHBLANV-CHWSQXEVSA-N 1 0 377.286 2.800 20 0 GFADRO O=[S@](CC[NH2+]Cc1ccccc1I)CC(F)(F)F ZINC000850350173 661771337 /nfs/dbraw/zinc/77/13/37/661771337.db2.gz PELWLGCQDGZHIM-GOSISDBHSA-N 1 0 391.196 2.692 20 0 GFADRO CN1Cc2ccccc2[C@H]1CNC(=O)c1c(Br)nc2n1CCC2 ZINC000826690817 660461362 /nfs/dbraw/zinc/46/13/62/660461362.db2.gz UTRGCAIAQJKYQW-CYBMUJFWSA-N 1 0 375.270 2.508 20 0 GFADRO CC(C)[C@H]1CN(C(=O)c2cc3ccc(Br)cc3c(=O)o2)CC[NH2+]1 ZINC000826763318 660463928 /nfs/dbraw/zinc/46/39/28/660463928.db2.gz PTJYEIGKFNCHQL-CQSZACIVSA-N 1 0 379.254 2.626 20 0 GFADRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)c1csc(I)n1 ZINC000826790442 660464914 /nfs/dbraw/zinc/46/49/14/660464914.db2.gz IAAMXGVIWGQMML-AOOOYVTPSA-N 1 0 393.294 2.740 20 0 GFADRO COC(=O)C1(C[N@@H+]2CC[C@@]3(C)[C@@H](C2)C3(Br)Br)CC1 ZINC000852337312 661861364 /nfs/dbraw/zinc/86/13/64/661861364.db2.gz OGVVOQYODJFFLB-KOLCDFICSA-N 1 0 381.108 2.768 20 0 GFADRO C[C@@H](C(=O)N1CC[C@@H]([NH+]2CCC2)C1)c1ccc(I)cc1 ZINC000826950348 660472701 /nfs/dbraw/zinc/47/27/01/660472701.db2.gz PIJVFTMDHVGLOB-IUODEOHRSA-N 1 0 384.261 2.701 20 0 GFADRO CCC[NH2+][C@@H](C)C(=O)N1CC[C@@]2(C)[C@@H](C1)C2(Br)Br ZINC000852901708 661876897 /nfs/dbraw/zinc/87/68/97/661876897.db2.gz OUCLLIPBUPZGAO-UMNHJUIQSA-N 1 0 382.140 2.729 20 0 GFADRO C[N@@H+]1CC[C@H]2CN(C(=O)c3cn(-c4ccc(Br)cc4)cn3)CC[C@H]21 ZINC000827297071 660488115 /nfs/dbraw/zinc/48/81/15/660488115.db2.gz GKLNPFDDOYENPX-SUMWQHHRSA-N 1 0 389.297 2.801 20 0 GFADRO C[N@@H+]1CC[C@H]2CN(C(=O)c3cccc(F)c3I)CC[C@H]21 ZINC000827299199 660488130 /nfs/dbraw/zinc/48/81/30/660488130.db2.gz KABMHSLTXXETIJ-GXFFZTMASA-N 1 0 388.224 2.597 20 0 GFADRO Cc1cc(Br)c(C(=O)N2CCC([NH+]3CCN(C)CC3)CC2)s1 ZINC000827435620 660495334 /nfs/dbraw/zinc/49/53/34/660495334.db2.gz PNGLAJBIXZLEFJ-UHFFFAOYSA-N 1 0 386.359 2.671 20 0 GFADRO CC(C)C[C@H](CNC(=O)[C@@]1(C)CC1(Br)Br)[NH+](C)C ZINC000827489455 660499346 /nfs/dbraw/zinc/49/93/46/660499346.db2.gz RBHKAHHVBPGBPE-ZYHUDNBSSA-N 1 0 384.156 2.975 20 0 GFADRO C[S@](=O)CC[NH+]1CCC(Oc2ccccc2I)CC1 ZINC000828006387 660526084 /nfs/dbraw/zinc/52/60/84/660526084.db2.gz OJYDPDDJRCZVGS-IBGZPJMESA-N 1 0 393.290 2.513 20 0 GFADRO CC1([NH+]2CCCC2)CCN(C(=O)c2cc(Br)cn3ncnc23)CC1 ZINC000828014880 660526459 /nfs/dbraw/zinc/52/64/59/660526459.db2.gz YKJAXYVJYMHTGQ-UHFFFAOYSA-N 1 0 392.301 2.582 20 0 GFADRO CC1([NH+]2CCCC2)CCN(C(=O)C2(n3cc(Br)cn3)CC2)CC1 ZINC000828014429 660526464 /nfs/dbraw/zinc/52/64/64/660526464.db2.gz GVQYXUOKBQBELB-UHFFFAOYSA-N 1 0 381.318 2.612 20 0 GFADRO CCS(=O)(=O)CCCCC[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1C ZINC000829662362 660605805 /nfs/dbraw/zinc/60/58/05/660605805.db2.gz ZXARWFQGOGLPFT-JKSUJKDBSA-N 1 0 376.563 2.827 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)[C@@]2(C)CC2(Br)Br)C1 ZINC000829704038 660608434 /nfs/dbraw/zinc/60/84/34/660608434.db2.gz KANUNDQLLSKPNM-CKYFFXLPSA-N 1 0 382.140 2.872 20 0 GFADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3cnn(C(C)(C)C)c3Br)CC[C@@H]21 ZINC000830400845 660652652 /nfs/dbraw/zinc/65/26/52/660652652.db2.gz CRMBPDWHTFALFN-OCCSQVGLSA-N 1 0 383.334 2.957 20 0 GFADRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3cnn(C(C)(C)C)c3Br)CC[C@@H]21 ZINC000830400844 660652657 /nfs/dbraw/zinc/65/26/57/660652657.db2.gz CRMBPDWHTFALFN-JSGCOSHPSA-N 1 0 383.334 2.957 20 0 GFADRO CN(C)C(=O)O[C@H]1CC[N@H+](C[C@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000830488546 660659163 /nfs/dbraw/zinc/65/91/63/660659163.db2.gz XIPIHKXVJZSXQF-STQMWFEESA-N 1 0 377.268 2.506 20 0 GFADRO C[N@H+](CCOc1ccc(F)cc1Cl)C[C@@H](O)CNC(=O)OC(C)(C)C ZINC000830456620 660658026 /nfs/dbraw/zinc/65/80/26/660658026.db2.gz LXJYJDKXKFQLIZ-ZDUSSCGKSA-N 1 0 376.856 2.675 20 0 GFADRO CN(C)C(=O)O[C@@H]1CCC[N@H+](C[C@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000830569314 660664912 /nfs/dbraw/zinc/66/49/12/660664912.db2.gz PCMSBNNWKIGPCC-UONOGXRCSA-N 1 0 391.295 2.896 20 0 GFADRO CC(C)(CNC(=O)C[C@@H]1C[NH2+]CCO1)Sc1ccc(Br)cc1 ZINC000830617998 660667260 /nfs/dbraw/zinc/66/72/60/660667260.db2.gz XZXMWTOGLLLVMG-CYBMUJFWSA-N 1 0 387.343 2.815 20 0 GFADRO Cc1cc([C@@H]([NH3+])CC(=O)N2CCN([C@H](C)C(F)(F)F)CC2)cc(Cl)n1 ZINC000831047633 660692040 /nfs/dbraw/zinc/69/20/40/660692040.db2.gz TVEFWNIPTGCJST-YPMHNXCESA-N 1 0 378.826 2.528 20 0 GFADRO Cc1cc([C@@H]([NH3+])CC(=O)Nc2cc(CSCCO)ccn2)cc(Cl)n1 ZINC000831425861 660710212 /nfs/dbraw/zinc/71/02/12/660710212.db2.gz HHQWZJBOMCJKSX-AWEZNQCLSA-N 1 0 380.901 2.693 20 0 GFADRO O=C(N1C[C@@H]2CC[N@@H+](C[C@@H](O)c3ccc(Cl)cc3)C[C@@H]2C1)C(F)(F)F ZINC000831572635 660713398 /nfs/dbraw/zinc/71/33/98/660713398.db2.gz WHKMKXNIZIPROS-GZBFAFLISA-N 1 0 376.806 2.716 20 0 GFADRO O=C(c1cccnc1I)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000831720689 660722219 /nfs/dbraw/zinc/72/22/19/660722219.db2.gz BAQINYIWBHTMDW-CHWSQXEVSA-N 1 0 399.276 2.538 20 0 GFADRO C[NH+]1CCC(CCO)(NC(=O)C(F)(F)c2ccc(Br)cc2)CC1 ZINC000831786397 660727094 /nfs/dbraw/zinc/72/70/94/660727094.db2.gz ZURKWOCKRUWRJM-UHFFFAOYSA-N 1 0 391.256 2.504 20 0 GFADRO CS[C@@H]1CN(C(=O)c2sc(Br)nc2C)C[C@@H]1[NH+]1CCCC1 ZINC000832131480 660756814 /nfs/dbraw/zinc/75/68/14/660756814.db2.gz MGTJYGGSLMLYIG-WDEREUQCSA-N 1 0 390.372 2.866 20 0 GFADRO O=C(NC1CC[NH2+]CC1)c1cnn(-c2ncccc2Cl)c1C(F)(F)Cl ZINC000832212422 660764023 /nfs/dbraw/zinc/76/40/23/660764023.db2.gz BZJVZIQLOMAFKL-UHFFFAOYSA-N 1 0 390.221 2.691 20 0 GFADRO C[N@H+](C[C@@H](O)COc1ccccc1F)C[C@@H](O)c1ccccc1Br ZINC000832672018 660793769 /nfs/dbraw/zinc/79/37/69/660793769.db2.gz HPOYEGGSYVOTJS-CXAGYDPISA-N 1 0 398.272 2.993 20 0 GFADRO C[C@H]([NH2+][C@@H](CO)c1ccccc1I)C1CCOCC1 ZINC000898512871 663654170 /nfs/dbraw/zinc/65/41/70/663654170.db2.gz NRQJCELJGQXJEQ-NHYWBVRUSA-N 1 0 375.250 2.729 20 0 GFADRO C[C@](O)(C[NH2+]CCCN1CCOCC1)c1ccc(Br)cc1Cl ZINC000834353701 660815653 /nfs/dbraw/zinc/81/56/53/660815653.db2.gz MNHNXJRBWDYIJB-INIZCTEOSA-N 1 0 391.737 2.622 20 0 GFADRO C[C@@](O)(C[NH2+]CCCN1CCCC1=O)c1ccc(Br)cc1Cl ZINC000834352978 660815714 /nfs/dbraw/zinc/81/57/14/660815714.db2.gz AJOKFGJWVATKHA-MRXNPFEDSA-N 1 0 389.721 2.912 20 0 GFADRO C[C@](O)(C[NH2+]CCCOC[C@@H]1CCCO1)c1ccc(Br)cc1F ZINC000834357320 660816156 /nfs/dbraw/zinc/81/61/56/660816156.db2.gz LGNGBJYUVWWIPN-YOEHRIQHSA-N 1 0 390.293 2.971 20 0 GFADRO C[C@@]1(C(=O)NCC23CCC[NH+]2CCC3)CC1(Br)Br ZINC000834754632 660831901 /nfs/dbraw/zinc/83/19/01/660831901.db2.gz GLJFURJTJADNRB-NSHDSACASA-N 1 0 380.124 2.627 20 0 GFADRO Cc1c(Br)cccc1CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000834849739 660835232 /nfs/dbraw/zinc/83/52/32/660835232.db2.gz ZFMFNNVJHUEMKD-AEFFLSMTSA-N 1 0 381.314 2.655 20 0 GFADRO C[C@H]([NH2+]CCS(=O)(=O)C1CCOCC1)c1ccc(Br)c(F)c1 ZINC000834890360 660837183 /nfs/dbraw/zinc/83/71/83/660837183.db2.gz NDGYMVRNHQYEFR-NSHDSACASA-N 1 0 394.306 2.833 20 0 GFADRO Cc1cc(Br)nc(NC(=O)C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)c1 ZINC000835029589 660838618 /nfs/dbraw/zinc/83/86/18/660838618.db2.gz XWBMEMYWSWKDSR-UHFFFAOYSA-N 1 0 397.317 2.516 20 0 GFADRO CS(=O)(=O)CCOCC[NH2+][C@H]1CCCCc2ccc(Br)cc21 ZINC000834669310 660829261 /nfs/dbraw/zinc/82/92/61/660829261.db2.gz WHWMLGNZNYLCNJ-INIZCTEOSA-N 1 0 390.343 2.867 20 0 GFADRO CC[C@@H]1C[N@H+](C)CCN1C(=O)Nc1cc2c(cc1Br)OCCO2 ZINC000836222090 660895814 /nfs/dbraw/zinc/89/58/14/660895814.db2.gz SBRKCQFDCLYYPN-LLVKDONJSA-N 1 0 384.274 2.778 20 0 GFADRO C[NH+](C)CC1CCC(NC(=O)NC[C@@H](O)c2ccccc2Br)CC1 ZINC000836372907 660902331 /nfs/dbraw/zinc/90/23/31/660902331.db2.gz CBLHSKHKCPLHKE-MQBCKMQZSA-N 1 0 398.345 2.902 20 0 GFADRO O=C(NC[C@H](O)c1ccccc1Br)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000836428274 660905150 /nfs/dbraw/zinc/90/51/50/660905150.db2.gz JTJCKQSOHZFFOI-PBHICJAKSA-N 1 0 396.329 2.799 20 0 GFADRO CC[NH+]1CCN(CC(C)(C)NC(=O)Nc2ccc(C)nc2Br)CC1 ZINC000836469634 660908844 /nfs/dbraw/zinc/90/88/44/660908844.db2.gz JCFGNXPMSRDKGA-UHFFFAOYSA-N 1 0 398.349 2.690 20 0 GFADRO CCC[C@H]1CN(C(=O)Nc2ccnc(Br)c2)CC[N@@H+]1CCOC ZINC000836694390 660931647 /nfs/dbraw/zinc/93/16/47/660931647.db2.gz HMFVEWCOKFQVDT-AWEZNQCLSA-N 1 0 385.306 2.809 20 0 GFADRO C[NH+](C)CCn1nccc1NC(=O)NC[C@H](O)c1ccc(Cl)cc1Cl ZINC000836699984 660932938 /nfs/dbraw/zinc/93/29/38/660932938.db2.gz LKEGUVKKYSMTJK-AWEZNQCLSA-N 1 0 386.283 2.607 20 0 GFADRO C[C@@H]([NH2+]CC(=O)NCC(=O)Nc1ccccc1Br)c1ccccc1 ZINC000007336050 654469133 /nfs/dbraw/zinc/46/91/33/654469133.db2.gz PXHGVNYRIQVYGH-CYBMUJFWSA-N 1 0 390.281 2.855 20 0 GFADRO CCS(=O)(=O)N1CCC([NH2+][C@@H](C)c2ccc(Br)cc2)CC1 ZINC000021814215 654529927 /nfs/dbraw/zinc/52/99/27/654529927.db2.gz VZBVJFUBCLWGGI-LBPRGKRZSA-N 1 0 375.332 2.914 20 0 GFADRO CC[C@H]1CN(CC)CCN1C(=O)c1cn(-c2ccccc2Br)nn1 ZINC000836947629 660958433 /nfs/dbraw/zinc/95/84/33/660958433.db2.gz KBXOKZHTHZCSTP-ZDUSSCGKSA-N 1 0 392.301 2.586 20 0 GFADRO CNC(=S)C(C(=O)c1ccc(OC)c(Cl)c1)[n+]1ccc(N(C)C)cc1 ZINC000027301064 654563749 /nfs/dbraw/zinc/56/37/49/654563749.db2.gz QOWXUGMHTONRKK-UHFFFAOYSA-O 1 0 378.905 2.860 20 0 GFADRO CNC(=O)c1ccc(C[N@H+](C)C[C@@H](O)c2cccc(Br)c2)cc1 ZINC000029932994 654580771 /nfs/dbraw/zinc/58/07/71/654580771.db2.gz HVVGFWAXZDFYBB-QGZVFWFLSA-N 1 0 377.282 2.974 20 0 GFADRO COC(=O)c1sccc1S(=O)(=O)NC[C@@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000030422178 654586922 /nfs/dbraw/zinc/58/69/22/654586922.db2.gz RJKCUDSWZDUORI-AWEZNQCLSA-N 1 0 388.555 2.570 20 0 GFADRO COc1ccc(Br)cc1C[NH2+]Cc1ccnc(N2CCOCC2)c1 ZINC000030900357 654589957 /nfs/dbraw/zinc/58/99/57/654589957.db2.gz PUTYYVSKOTVEHU-UHFFFAOYSA-N 1 0 392.297 2.979 20 0 GFADRO CCOc1ccc(Br)cc1S(=O)(=O)NCCC[NH2+]C(C)C ZINC000036299799 654612176 /nfs/dbraw/zinc/61/21/76/654612176.db2.gz XALVDIYANYWSJT-UHFFFAOYSA-N 1 0 379.320 2.514 20 0 GFADRO O=C(c1ccc(I)cc1)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000037917262 654616327 /nfs/dbraw/zinc/61/63/27/654616327.db2.gz UQPOIRYZNZVGMR-UKRRQHHQSA-N 1 0 384.261 2.895 20 0 GFADRO COc1ccc(NC(=O)C(=O)NC[C@H](c2cccs2)[NH+](C)C)cc1Cl ZINC000038482983 654617590 /nfs/dbraw/zinc/61/75/90/654617590.db2.gz GVEMELAJZVDEEU-CYBMUJFWSA-N 1 0 381.885 2.768 20 0 GFADRO CN(C(=O)c1cnn(C)c1Br)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000837184586 660975957 /nfs/dbraw/zinc/97/59/57/660975957.db2.gz ZHDSREAMHSYLCB-UHFFFAOYSA-N 1 0 397.239 2.671 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1CCNC(=O)Cc1cc2c(cc1Br)OCCO2 ZINC000046861147 654686698 /nfs/dbraw/zinc/68/66/98/654686698.db2.gz OYSPHHZFOAZXFN-CYBMUJFWSA-N 1 0 397.313 2.753 20 0 GFADRO O=C(Cn1cc(Br)ccc1=O)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000047528100 654696742 /nfs/dbraw/zinc/69/67/42/654696742.db2.gz NMXYKTFTPFQBAT-UHFFFAOYSA-N 1 0 390.281 2.845 20 0 GFADRO C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000048221252 654703711 /nfs/dbraw/zinc/70/37/11/654703711.db2.gz TVLOLVUESQIQSV-CHWSQXEVSA-N 1 0 386.323 2.960 20 0 GFADRO CCn1c(SCC(=O)NCCC[NH+](CC)CC)nnc1-c1cccs1 ZINC000049934602 654716539 /nfs/dbraw/zinc/71/65/39/654716539.db2.gz GSRRVYKDBFUTCR-UHFFFAOYSA-N 1 0 381.571 2.967 20 0 GFADRO O=C(NCC1CC1)[C@@H]1CCC[N@@H+](Cc2cn3cc(Br)ccc3n2)C1 ZINC000051908973 654730623 /nfs/dbraw/zinc/73/06/23/654730623.db2.gz FEQCCZYPABOYIA-CQSZACIVSA-N 1 0 391.313 2.835 20 0 GFADRO CC(C)(C)[N@@H+]1CCCN(CN2c3cccc(Br)c3C(=O)C2=O)CC1 ZINC000052087239 654732780 /nfs/dbraw/zinc/73/27/80/654732780.db2.gz XGEXXMUDDDZMSN-UHFFFAOYSA-N 1 0 394.313 2.742 20 0 GFADRO C[N@@H+]1CCC[C@@H]2CN(S(=O)(=O)Cc3ccc(Br)cc3)CC[C@@H]21 ZINC000122347153 654735012 /nfs/dbraw/zinc/73/50/12/654735012.db2.gz MFDPTVCGSKJKIH-ZBFHGGJFSA-N 1 0 387.343 2.695 20 0 GFADRO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2c(Br)nc3n2CCCC3)C1 ZINC000837444503 660997681 /nfs/dbraw/zinc/99/76/81/660997681.db2.gz VONIVEVQUINTLX-CYBMUJFWSA-N 1 0 383.334 2.786 20 0 GFADRO NS(=O)(=O)c1cccc(NC(=O)CC[N@@H+]2CCC[C@H]2c2ccsc2)c1 ZINC000052803799 654739711 /nfs/dbraw/zinc/73/97/11/654739711.db2.gz IVTGJDFGGFWOQP-INIZCTEOSA-N 1 0 379.507 2.561 20 0 GFADRO Cc1csc(=O)n1CC[N@@H+]1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000052829678 654740194 /nfs/dbraw/zinc/74/01/94/654740194.db2.gz WPOAIFZLFIKEGU-ZDUSSCGKSA-N 1 0 380.901 2.617 20 0 GFADRO COc1ccc(Br)cc1C(=O)CCC(=O)NCC[NH+]1CCCC1 ZINC000052851556 654740705 /nfs/dbraw/zinc/74/07/05/654740705.db2.gz KRERSYCACFJXSU-UHFFFAOYSA-N 1 0 383.286 2.633 20 0 GFADRO O=S(=O)(NC[C@H]1CCC[NH2+]1)c1c(Cl)cc(Br)cc1Cl ZINC000053254465 654742983 /nfs/dbraw/zinc/74/29/83/654742983.db2.gz WSELYKKEAMAFRI-MRVPVSSYSA-N 1 0 388.114 2.786 20 0 GFADRO COCC[NH+]1CCN(Cc2cn(-c3ccc(Br)cc3)nc2C)CC1 ZINC000122982455 654748969 /nfs/dbraw/zinc/74/89/69/654748969.db2.gz BCDUNPKDQQKSMH-UHFFFAOYSA-N 1 0 393.329 2.707 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)NCCOc2ccc(Br)cc2)C[N@@H+]1C1CC1 ZINC000123199059 654753064 /nfs/dbraw/zinc/75/30/64/654753064.db2.gz HTMODLAPBFLWEM-OCCSQVGLSA-N 1 0 382.302 2.752 20 0 GFADRO COc1cc(C[NH2+]C[C@@H](C)C[C@H](C)O)cc(I)c1OC ZINC000123428731 654755635 /nfs/dbraw/zinc/75/56/35/654755635.db2.gz HBROLOUEWPNUCF-QWRGUYRKSA-N 1 0 393.265 2.805 20 0 GFADRO C[C@@H](Cc1ccc(Br)cc1)C(=O)NCCCC[NH+]1CCOCC1 ZINC000123697758 654760829 /nfs/dbraw/zinc/76/08/29/654760829.db2.gz PBQIMPWDLWXLNN-HNNXBMFYSA-N 1 0 383.330 2.856 20 0 GFADRO C[NH+](C)CCCNC(=S)NC[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000054990563 654766956 /nfs/dbraw/zinc/76/69/56/654766956.db2.gz XLNJRTGMQZYOQT-CQSZACIVSA-N 1 0 399.402 2.691 20 0 GFADRO CC1CC[NH+](CCCCNS(=O)(=O)c2c(Cl)nc3ccccn32)CC1 ZINC000055242585 654772461 /nfs/dbraw/zinc/77/24/61/654772461.db2.gz HLHASLMYBLQBRC-UHFFFAOYSA-N 1 0 384.933 2.778 20 0 GFADRO C[C@@H](CNS(=O)(=O)c1cc(Br)cnc1Cl)C[NH+]1CCCC1 ZINC000055265088 654772752 /nfs/dbraw/zinc/77/27/52/654772752.db2.gz FZXNVAJGPYCVGR-JTQLQIEISA-N 1 0 396.738 2.508 20 0 GFADRO COc1cc([C@@H](C)[NH2+]C[C@@H](O)c2ccco2)ccc1S(=O)(=O)C(F)F ZINC000125203665 654789303 /nfs/dbraw/zinc/78/93/03/654789303.db2.gz QMHBDGPOBFPYHX-ZYHUDNBSSA-N 1 0 375.393 2.669 20 0 GFADRO CC(C)[N@@H+]1CCCC[C@@H]1COC(=O)c1cnn2cc(Br)cnc12 ZINC000837613938 661008248 /nfs/dbraw/zinc/00/82/48/661008248.db2.gz VKEXTEXHQDMJGL-CYBMUJFWSA-N 1 0 381.274 2.912 20 0 GFADRO CN1CC[NH+](CC2CCN(C(=O)c3cccc(Br)c3)CC2)CC1 ZINC000057065530 654799295 /nfs/dbraw/zinc/79/92/95/654799295.db2.gz VVWCTEDYFAABIF-UHFFFAOYSA-N 1 0 380.330 2.549 20 0 GFADRO COc1cc(Br)ccc1C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000125849353 654803659 /nfs/dbraw/zinc/80/36/59/654803659.db2.gz WWLIIVKDNJEZKM-UHFFFAOYSA-N 1 0 376.254 2.815 20 0 GFADRO C[NH+]1CCN(CCCNC(=O)c2csc(-c3ccc(Cl)s3)n2)CC1 ZINC000057384540 654806464 /nfs/dbraw/zinc/80/64/64/654806464.db2.gz QIAZSZFJYTUISA-UHFFFAOYSA-N 1 0 384.958 2.892 20 0 GFADRO CC(C)(C)[N@@H+]1CCCN(C(=O)C(=O)Nc2ccc(Br)cc2)CC1 ZINC000057700972 654808552 /nfs/dbraw/zinc/80/85/52/654808552.db2.gz YOJJQLLDMVRSRI-UHFFFAOYSA-N 1 0 382.302 2.720 20 0 GFADRO CCC(=O)N1CC[C@@H]([NH2+][C@@H](C)CC(=O)Nc2cccc(Br)c2)C1 ZINC000126366701 654813440 /nfs/dbraw/zinc/81/34/40/654813440.db2.gz CQFLFUCJXWZFJD-SWLSCSKDSA-N 1 0 382.302 2.767 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)Nc1cccc(CS(C)(=O)=O)c1)c1cccs1 ZINC000058649045 654821339 /nfs/dbraw/zinc/82/13/39/654821339.db2.gz BROXGOWDEJPFQR-HNNXBMFYSA-N 1 0 381.523 2.717 20 0 GFADRO O=C(NCC[NH+]1CCCCC1)[C@]12CCC(=O)N1c1cc(Cl)ccc1S2 ZINC000060099373 654826497 /nfs/dbraw/zinc/82/64/97/654826497.db2.gz NFYZELYYYRESKE-GOSISDBHSA-N 1 0 379.913 2.871 20 0 GFADRO O=S(=O)(NCC[NH2+]Cc1ccc(-n2cccn2)cc1)c1ccc(Cl)s1 ZINC000127810911 654834610 /nfs/dbraw/zinc/83/46/10/654834610.db2.gz FPUFLKUSWQHGSZ-UHFFFAOYSA-N 1 0 396.925 2.655 20 0 GFADRO CC[NH+](CC)[C@H]1CCN(S(=O)(=O)c2cc(C)ccc2Br)C1 ZINC000127932587 654837590 /nfs/dbraw/zinc/83/75/90/654837590.db2.gz ILKPSMMZWATWGA-ZDUSSCGKSA-N 1 0 375.332 2.862 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1ccccc1Br)c1ccccc1 ZINC000061781745 654842689 /nfs/dbraw/zinc/84/26/89/654842689.db2.gz JMBZAZZKMRHLPA-INIZCTEOSA-N 1 0 390.281 2.807 20 0 GFADRO CC[C@@H]1CN(C(=O)Nc2ccc(Br)c(C)n2)CC[N@@H+]1CCOC ZINC000128457443 654847351 /nfs/dbraw/zinc/84/73/51/654847351.db2.gz QPQHVIUEJGAZJP-CYBMUJFWSA-N 1 0 385.306 2.727 20 0 GFADRO O=C(c1ccccc1I)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000063198598 654850287 /nfs/dbraw/zinc/85/02/87/654850287.db2.gz RIKVBVAKEOEUFT-HNNXBMFYSA-N 1 0 384.261 2.895 20 0 GFADRO C[C@@H](CNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)[NH+]1CCC(C)CC1 ZINC000063518973 654853825 /nfs/dbraw/zinc/85/38/25/654853825.db2.gz HKRUZIWNIVQMRQ-ZDUSSCGKSA-N 1 0 380.432 2.984 20 0 GFADRO COc1ccc(S(=O)(=O)N(C)[C@H]2CC[N@H+](C)C[C@H]2C)c(Cl)c1Cl ZINC000266157188 654859903 /nfs/dbraw/zinc/85/99/03/654859903.db2.gz GSTXROOIIJEFAS-MNOVXSKESA-N 1 0 381.325 2.963 20 0 GFADRO Cc1cc(Br)c(S(=O)(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)s1 ZINC000266190491 654861900 /nfs/dbraw/zinc/86/19/00/654861900.db2.gz HVMKLJLXJVLXSQ-SNVBAGLBSA-N 1 0 379.345 2.582 20 0 GFADRO O=[N+]([O-])c1nn(CN2CC[NH+](CC3CCCCC3)CC2)cc1Br ZINC000064127175 654862591 /nfs/dbraw/zinc/86/25/91/654862591.db2.gz NZRVPSMHZMKGDK-UHFFFAOYSA-N 1 0 386.294 2.709 20 0 GFADRO C[C@@H](C(=O)Nc1ccc(Cl)c(Cl)c1)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000129552579 654866802 /nfs/dbraw/zinc/86/68/02/654866802.db2.gz BIBQMRYXGSSBHU-UONOGXRCSA-N 1 0 386.323 2.975 20 0 GFADRO CC(C)N(C)S(=O)(=O)N(CC[NH+](C)C)Cc1ccc(C(F)(F)F)cc1 ZINC000064402770 654868423 /nfs/dbraw/zinc/86/84/23/654868423.db2.gz BKNBGPAVCNRUCH-UHFFFAOYSA-N 1 0 381.464 2.654 20 0 GFADRO CC[NH+](CC)[C@H]1CCN(C(=O)C[C@@](O)(c2nc(C)cs2)C(F)(F)F)C1 ZINC000266295963 654869870 /nfs/dbraw/zinc/86/98/70/654869870.db2.gz HKAVJWGQWYCAAG-SWLSCSKDSA-N 1 0 379.448 2.534 20 0 GFADRO O=S(=O)(NC[C@H]1CCC[N@H+](Cc2cccs2)C1)c1ccc(Cl)nc1 ZINC000064599496 654872490 /nfs/dbraw/zinc/87/24/90/654872490.db2.gz AXMPSGGPHWAECS-CYBMUJFWSA-N 1 0 385.942 2.987 20 0 GFADRO COc1ccc(I)c(NC(=O)N[C@H](C)CC[NH+](C)C)c1 ZINC000266397759 654876749 /nfs/dbraw/zinc/87/67/49/654876749.db2.gz GVUVMEFBEYMYRB-SNVBAGLBSA-N 1 0 391.253 2.762 20 0 GFADRO Cc1cc(N2CC[C@H]([NH2+][C@H]3CCc4cc(Br)ccc43)C2=O)n(C)n1 ZINC000266513073 654882739 /nfs/dbraw/zinc/88/27/39/654882739.db2.gz XYOKLCCYHHTURS-HOTGVXAUSA-N 1 0 389.297 2.873 20 0 GFADRO C[C@H](Sc1nncn1C)C(=O)N(CC[NH+](C)C)Cc1cccc(Cl)c1 ZINC000065936639 654891201 /nfs/dbraw/zinc/89/12/01/654891201.db2.gz HXNPTQXGNNPISP-ZDUSSCGKSA-N 1 0 381.933 2.540 20 0 GFADRO O=C(Nc1ccccc1I)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000066157334 654896079 /nfs/dbraw/zinc/89/60/79/654896079.db2.gz PQLJWVPVLQTBRL-GFCCVEGCSA-N 1 0 385.249 2.993 20 0 GFADRO C[NH+](C)[C@]1(CNC(=O)N(Cc2cccs2)C[C@@H]2CCCO2)CCSC1 ZINC000267135918 654913066 /nfs/dbraw/zinc/91/30/66/654913066.db2.gz DMKJDZSCDGCLLI-YJBOKZPZSA-N 1 0 383.583 2.876 20 0 GFADRO O=C(COc1cc(Cl)cc(Cl)c1)NCCCC[N@H+]1CCC[C@H]1CO ZINC000131689357 654913752 /nfs/dbraw/zinc/91/37/52/654913752.db2.gz CQDVTYOVBVNPRV-HNNXBMFYSA-N 1 0 375.296 2.725 20 0 GFADRO COc1ccc(SCCC(=O)NC[C@]2([NH+](C)C)CCSC2)cc1OC ZINC000267353010 654924919 /nfs/dbraw/zinc/92/49/19/654924919.db2.gz VFJKUVXFXUGERG-GOSISDBHSA-N 1 0 384.567 2.740 20 0 GFADRO CC(C)(C[NH2+]Cc1ccc(-c2nc3ccccc3s2)o1)NS(C)(=O)=O ZINC000067005919 654925422 /nfs/dbraw/zinc/92/54/22/654925422.db2.gz VHSACPZZGLPGKD-UHFFFAOYSA-N 1 0 379.507 2.974 20 0 GFADRO COc1c(Cl)cc(NC(=O)C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)cc1Cl ZINC000267385662 654926476 /nfs/dbraw/zinc/92/64/76/654926476.db2.gz GRNFCSIJAYAOIC-JQWIXIFHSA-N 1 0 388.295 2.930 20 0 GFADRO C[NH+](C)C[C@H]1CCCN1C(=O)Cc1csc(NC(=O)c2cccs2)n1 ZINC000267447688 654929033 /nfs/dbraw/zinc/92/90/33/654929033.db2.gz DPNJYOMUFSMBMZ-CYBMUJFWSA-N 1 0 378.523 2.552 20 0 GFADRO O[C@H](CN1CCC(C[NH+]2CCOCC2)CC1)c1ccccc1Br ZINC000132451236 654938271 /nfs/dbraw/zinc/93/82/71/654938271.db2.gz DTBVZLIZCCGMLW-GOSISDBHSA-N 1 0 383.330 2.527 20 0 GFADRO C[C@@H]1C[NH+](CCC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2Cl)C[C@H]1C ZINC000267818476 654947678 /nfs/dbraw/zinc/94/76/78/654947678.db2.gz OGBOLMJKGGDOPW-CHWSQXEVSA-N 1 0 387.933 2.507 20 0 GFADRO Cc1sc(Br)cc1S(=O)(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000133652767 654969645 /nfs/dbraw/zinc/96/96/45/654969645.db2.gz POVUSNGXKWBPKC-UHFFFAOYSA-N 1 0 393.372 2.972 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)N(C)C[C@@H](O)c2ccccc2Br)CC[N@@H+]1C ZINC000838490223 661047548 /nfs/dbraw/zinc/04/75/48/661047548.db2.gz BWDHYDDNOKJTCP-XJKCOSOUSA-N 1 0 384.318 2.607 20 0 GFADRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1cc(I)ccc1F ZINC000268531038 654976556 /nfs/dbraw/zinc/97/65/56/654976556.db2.gz PZXUHAIHGWAGDQ-IINYFYTJSA-N 1 0 390.240 2.843 20 0 GFADRO CC[N@@H+]1CC[C@H](CNC(=O)c2cc(I)ccc2F)C1 ZINC000268591787 654979193 /nfs/dbraw/zinc/97/91/93/654979193.db2.gz URZYYCUVRUXCLG-SNVBAGLBSA-N 1 0 376.213 2.502 20 0 GFADRO Cc1ccc(Br)c(C(=O)N(C)CC[N@H+](C)C2CCN(C)CC2)c1 ZINC000268653620 654981601 /nfs/dbraw/zinc/98/16/01/654981601.db2.gz GZJKNNBRTLLQHD-UHFFFAOYSA-N 1 0 382.346 2.856 20 0 GFADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)CCOc1ccc(Cl)cc1Cl ZINC000069577492 654983694 /nfs/dbraw/zinc/98/36/94/654983694.db2.gz LCLNGENMFASGNI-AWEZNQCLSA-N 1 0 375.296 2.989 20 0 GFADRO C[C@H]1CN(CCO)CCN1C(=O)N[C@@H]1CCOc2c(Cl)c(Cl)ccc21 ZINC000838564334 661049842 /nfs/dbraw/zinc/04/98/42/661049842.db2.gz BXHJFSREBHATJW-SMDDNHRTSA-N 1 0 388.295 2.525 20 0 GFADRO CCOc1ccc(C[NH2+]CC2CCN(S(=O)(=O)C(F)(F)F)CC2)cc1 ZINC000069876056 654988585 /nfs/dbraw/zinc/98/85/85/654988585.db2.gz KTRUETFFZQSVHS-UHFFFAOYSA-N 1 0 380.432 2.737 20 0 GFADRO CC[C@H](Cc1ccccc1Br)C(=O)N[C@H](C)CN1CC[NH+](C)CC1 ZINC000134297573 654989851 /nfs/dbraw/zinc/98/98/51/654989851.db2.gz BVTCXQLWPMPKLM-HZPDHXFCSA-N 1 0 396.373 2.770 20 0 GFADRO O=C(NCc1ccc(Br)cc1)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000069937528 654990190 /nfs/dbraw/zinc/99/01/90/654990190.db2.gz YPBXCYCFJGSVRB-INIZCTEOSA-N 1 0 396.329 2.703 20 0 GFADRO COCCC[C@H](C)[NH2+]CCCNC(=O)c1cc(OC)ccc1Br ZINC000268913568 654990792 /nfs/dbraw/zinc/99/07/92/654990792.db2.gz NFSKWNPUVVJMBY-ZDUSSCGKSA-N 1 0 387.318 2.982 20 0 GFADRO Cc1cc(NC(=O)C(=O)N2CCC[N@@H+](C(C)C)CC2)ccc1Br ZINC000069989556 654991290 /nfs/dbraw/zinc/99/12/90/654991290.db2.gz XRQCSCYIVLBHGG-UHFFFAOYSA-N 1 0 382.302 2.639 20 0 GFADRO COc1c(Cl)cc(NC(=O)C(=O)N2CCC[N@@H+](C(C)C)CC2)cc1Cl ZINC000069988558 654991320 /nfs/dbraw/zinc/99/13/20/654991320.db2.gz HEZPWMUYFGVSOP-UHFFFAOYSA-N 1 0 388.295 2.883 20 0 GFADRO CNC(=O)C[C@@H](C)[NH2+]CCSCCOc1cccc(Br)c1 ZINC000268949738 654992429 /nfs/dbraw/zinc/99/24/29/654992429.db2.gz UZQSYWWTFUSVDZ-GFCCVEGCSA-N 1 0 375.332 2.675 20 0 GFADRO NC(=O)[C@H]1CCCN1CCC[NH2+][C@@H]1CCSc2ccc(Br)cc21 ZINC000268954051 654992721 /nfs/dbraw/zinc/99/27/21/654992721.db2.gz VTOBGBJHEJHPJA-HUUCEWRRSA-N 1 0 398.370 2.915 20 0 GFADRO O=C(CC[N@H+]1CCC[C@H](c2nc(C(F)(F)F)cs2)C1)N1CCOCC1 ZINC000134463108 654993484 /nfs/dbraw/zinc/99/34/84/654993484.db2.gz LHTVIOFBANCASM-LBPRGKRZSA-N 1 0 377.432 2.590 20 0 GFADRO Cc1ccc(Br)cc1NC(=O)C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000070801973 654995114 /nfs/dbraw/zinc/99/51/14/654995114.db2.gz USFPCRIGLFNAJL-UHFFFAOYSA-N 1 0 396.329 2.934 20 0 GFADRO C[C@H](CNC(=O)C(=O)Nc1ccc(Cl)cc1C(F)(F)F)[NH+]1CCCC1 ZINC000070965393 654997441 /nfs/dbraw/zinc/99/74/41/654997441.db2.gz DEEJUQVFFUHBBU-SNVBAGLBSA-N 1 0 377.794 2.898 20 0 GFADRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)NC[C@]2(C)CC2(Cl)Cl)CC1 ZINC000838667539 661052690 /nfs/dbraw/zinc/05/26/90/661052690.db2.gz FQQHDMKZSSNCMR-INMHGKMJSA-N 1 0 391.387 2.770 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)c(Br)c1 ZINC000269247433 655002932 /nfs/dbraw/zinc/00/29/32/655002932.db2.gz ABWJBDNUBUWPAF-ZDUSSCGKSA-N 1 0 394.313 2.605 20 0 GFADRO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNc1ncc(S(N)(=O)=O)s1 ZINC000072073050 655003328 /nfs/dbraw/zinc/00/33/28/655003328.db2.gz LMTCHIMTJOZXAP-ZDUSSCGKSA-N 1 0 380.539 2.777 20 0 GFADRO C[NH+](C)[C@@H]1CCN(c2ccc(NC(=O)c3ccnc(Br)c3)nc2)C1 ZINC000269452174 655009972 /nfs/dbraw/zinc/00/99/72/655009972.db2.gz UILYYNDKGONRHH-CQSZACIVSA-N 1 0 390.285 2.632 20 0 GFADRO NC(=O)c1csc(C[NH+]2CCC(C(=O)Nc3ccc(Cl)cn3)CC2)c1 ZINC000091858870 655010458 /nfs/dbraw/zinc/01/04/58/655010458.db2.gz ZFIRWSHICLFYFW-UHFFFAOYSA-N 1 0 378.885 2.746 20 0 GFADRO O=C(NC1CC[NH+](CC2(O)CCCCC2)CC1)c1cncc(Br)c1 ZINC000135433714 655016876 /nfs/dbraw/zinc/01/68/76/655016876.db2.gz AAVMSKXRBMOZSW-UHFFFAOYSA-N 1 0 396.329 2.734 20 0 GFADRO NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)Cc1csc2ccc(Cl)cc12 ZINC000269747968 655019876 /nfs/dbraw/zinc/01/98/76/655019876.db2.gz OUSPSLXYUAVEHX-OAHLLOKOSA-N 1 0 379.913 2.553 20 0 GFADRO C[N@@H+]1CCC[C@H](CCNC(=O)NC[C@@H](O)c2ccccc2Br)C1 ZINC000838768907 661056502 /nfs/dbraw/zinc/05/65/02/661056502.db2.gz SAEAINAYTZBUSH-CZUORRHYSA-N 1 0 384.318 2.514 20 0 GFADRO O=C(c1cnn2cc(Br)cnc12)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000094101300 655027392 /nfs/dbraw/zinc/02/73/92/655027392.db2.gz NPVGKEUEVDUCKC-AWEZNQCLSA-N 1 0 392.301 2.582 20 0 GFADRO O=C(NCCC[NH+]1CCC(O)CC1)c1cc2cc(Br)ccc2[nH]1 ZINC000136120516 655027836 /nfs/dbraw/zinc/02/78/36/655027836.db2.gz AGGVIBRMVFIBSW-UHFFFAOYSA-N 1 0 380.286 2.507 20 0 GFADRO CSCC[C@@H]1NC(=S)N(C[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)C1=O ZINC000136525623 655032956 /nfs/dbraw/zinc/03/29/56/655032956.db2.gz QRSRCSKAPOPKFQ-PVAVHDDUSA-N 1 0 377.579 2.735 20 0 GFADRO C[NH+]1CCC([C@H]2CCN(S(=O)(=O)c3cnc(Cl)c(Cl)c3)C2)CC1 ZINC000270170720 655035944 /nfs/dbraw/zinc/03/59/44/655035944.db2.gz CNBUOTWOZXSTNX-LBPRGKRZSA-N 1 0 378.325 2.741 20 0 GFADRO C[C@@H]1C[NH+](CC2CCN(C(=O)c3cccc(Br)n3)CC2)C[C@@H](C)O1 ZINC000136848977 655036010 /nfs/dbraw/zinc/03/60/10/655036010.db2.gz YZCHRAZTNIPFBZ-ZIAGYGMSSA-N 1 0 396.329 2.806 20 0 GFADRO CC[NH+](CC)[C@H]1CCN(C(=O)c2csc(I)c2)C1 ZINC000097711961 655037727 /nfs/dbraw/zinc/03/77/27/655037727.db2.gz CFDBYIBPCDZGNK-NSHDSACASA-N 1 0 378.279 2.909 20 0 GFADRO CC(C)[N@H+](C)CC(=O)N[C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000137350836 655039798 /nfs/dbraw/zinc/03/97/98/655039798.db2.gz ZPRPAJTXTYCZPK-LBPRGKRZSA-N 1 0 378.826 2.789 20 0 GFADRO CC(C)COC[C@@H](O)C[NH2+][C@H](C)CC(=O)Nc1ccc(Br)cc1 ZINC000098173707 655041261 /nfs/dbraw/zinc/04/12/61/655041261.db2.gz JCQKDRJUIRBQRL-CJNGLKHVSA-N 1 0 387.318 2.789 20 0 GFADRO C[N@H+](CCCO)C1CCN(C(=O)CCc2ccccc2Br)CC1 ZINC000270343921 655041456 /nfs/dbraw/zinc/04/14/56/655041456.db2.gz DALYALBJXDJIPX-UHFFFAOYSA-N 1 0 383.330 2.687 20 0 GFADRO [NH3+][C@@H]1CCCC[C@@H]1C(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 ZINC000150711364 655046326 /nfs/dbraw/zinc/04/63/26/655046326.db2.gz CDIANURRCQJVPY-DZGCQCFKSA-N 1 0 385.917 2.581 20 0 GFADRO NC(=O)N1CCC([NH2+]Cc2ccc(Br)c(Br)c2)CC1 ZINC000150807385 655046553 /nfs/dbraw/zinc/04/65/53/655046553.db2.gz DVOAAVCUZIPTET-UHFFFAOYSA-N 1 0 391.107 2.844 20 0 GFADRO C[C@@H](C(=O)NC1CC1)[NH+]1CCC(C(=O)Nc2ccccc2Br)CC1 ZINC000101916602 655048362 /nfs/dbraw/zinc/04/83/62/655048362.db2.gz TXGQEGQAZNGJKI-LBPRGKRZSA-N 1 0 394.313 2.767 20 0 GFADRO C[C@@H]1C[N@@H+](CC2CCN(S(=O)(=O)c3ccccc3Cl)CC2)C[C@H](C)O1 ZINC000102661273 655057586 /nfs/dbraw/zinc/05/75/86/655057586.db2.gz YPNTUMWEVRXVNY-GASCZTMLSA-N 1 0 386.945 2.850 20 0 GFADRO C[N@H+](C[C@H](O)COc1ccc(Cl)cc1Br)C[C@@H]1CCCO1 ZINC000102769883 655060633 /nfs/dbraw/zinc/06/06/33/655060633.db2.gz WMZAHIUNASFCKM-STQMWFEESA-N 1 0 378.694 2.953 20 0 GFADRO CCOc1ccc(Br)cc1NC(=O)NCCC[N@H+](C)CCOC ZINC000102801891 655061245 /nfs/dbraw/zinc/06/12/45/655061245.db2.gz ZCIQSHSEAGEWSK-UHFFFAOYSA-N 1 0 388.306 2.938 20 0 GFADRO CC(C)CN(CC[NH+](C)C)C(=O)CCN1C(=S)N=NC1c1cccs1 ZINC000153003344 655063898 /nfs/dbraw/zinc/06/38/98/655063898.db2.gz FYLOPEWIBNBRCH-UHFFFAOYSA-N 1 0 381.571 2.732 20 0 GFADRO CC[N@@H+]1CC[C@@H](CNC(=O)c2nc(C)n(-c3c(Cl)cccc3Cl)n2)C1 ZINC000102942317 655064550 /nfs/dbraw/zinc/06/45/50/655064550.db2.gz LCWXTSLARFJFJQ-LBPRGKRZSA-N 1 0 382.295 2.954 20 0 GFADRO C[N@@H+]1CCC[C@H]1CCSc1nnc(-c2ccccc2Br)n1N ZINC000153867238 655071456 /nfs/dbraw/zinc/07/14/56/655071456.db2.gz TVCGVPBJQNBZGX-NSHDSACASA-N 1 0 382.331 2.998 20 0 GFADRO O=C(C1CC[NH+](C[C@@H](O)c2ccc(Br)cc2)CC1)N1CCCC1 ZINC000103465617 655072815 /nfs/dbraw/zinc/07/28/15/655072815.db2.gz COCQZOKGPBZCSW-QGZVFWFLSA-N 1 0 381.314 2.817 20 0 GFADRO CCN(Cc1ccc(Cl)s1)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000104800861 655086935 /nfs/dbraw/zinc/08/69/35/655086935.db2.gz WEUBXRKKVZHLHT-ZDUSSCGKSA-N 1 0 386.949 2.520 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)c1ccc(I)c(F)c1)C1CC1 ZINC000104856427 655087482 /nfs/dbraw/zinc/08/74/82/655087482.db2.gz HDNKLZGNCJTMHA-CYBMUJFWSA-N 1 0 376.213 2.500 20 0 GFADRO CC(=O)N1CCN(CC[NH2+][C@@H](c2ccc(Br)cc2)C2CC2)CC1 ZINC000271612188 655088080 /nfs/dbraw/zinc/08/80/80/655088080.db2.gz AQZDXEVCCDLCML-GOSISDBHSA-N 1 0 380.330 2.654 20 0 GFADRO COCC[NH+]1CCC(NC(=O)N[C@@H]2C[C@H]2c2ccccc2Br)CC1 ZINC000105192981 655089538 /nfs/dbraw/zinc/08/95/38/655089538.db2.gz YBLNNJAZGNOWFB-DOTOQJQBSA-N 1 0 396.329 2.715 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)Nc2cccc(Br)c2)CC1=O ZINC000105316015 655090551 /nfs/dbraw/zinc/09/05/51/655090551.db2.gz LSLLKWSIIRTILN-CJNGLKHVSA-N 1 0 394.313 2.720 20 0 GFADRO C[C@H]([NH2+]CCS(=O)(=O)C(C)(C)C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000156675358 655094970 /nfs/dbraw/zinc/09/49/70/655094970.db2.gz CTCKNJGXROLSAD-LSDHHAIUSA-N 1 0 376.563 2.825 20 0 GFADRO C[N@H+]1CC=C(CNC(=O)C(=O)Nc2ccc(C(F)(F)F)cc2Cl)CC1 ZINC000271892116 655097848 /nfs/dbraw/zinc/09/78/48/655097848.db2.gz NGSXNFMSBXKVLG-UHFFFAOYSA-N 1 0 375.778 2.675 20 0 GFADRO O=S1(=O)CC[C@]2(C1)C[C@@H]([NH2+]Cc1cc(Cl)ccc1OC(F)F)CCO2 ZINC000271993596 655100561 /nfs/dbraw/zinc/10/05/61/655100561.db2.gz LXFXKLDXTPZMLU-XJKSGUPXSA-N 1 0 395.855 2.767 20 0 GFADRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)c1cc2c(c(Br)c1)OCO2 ZINC000272142811 655103983 /nfs/dbraw/zinc/10/39/83/655103983.db2.gz DTCRLLFECBXFLG-NSHDSACASA-N 1 0 383.286 2.980 20 0 GFADRO Cc1cc(S(=O)(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)sc1Br ZINC000158783474 655109274 /nfs/dbraw/zinc/10/92/74/655109274.db2.gz VECPGXUHQGBIMI-GHMZBOCLSA-N 1 0 379.345 2.724 20 0 GFADRO CN1CC[N@H+](C)C[C@@H]1CN[C@H](c1ccco1)c1ccc(Br)cc1 ZINC000272341622 655109627 /nfs/dbraw/zinc/10/96/27/655109627.db2.gz BTMPTXSCUFYAHE-WMZOPIPTSA-N 1 0 378.314 2.967 20 0 GFADRO C[N@@H+]1CC[C@H]2CCN(C(=O)c3cnn(-c4ccc(Br)cc4)c3)[C@@H]2C1 ZINC000272369327 655110283 /nfs/dbraw/zinc/11/02/83/655110283.db2.gz AOLPHPXPKDRQDD-SUMWQHHRSA-N 1 0 389.297 2.801 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccn(-c2cccc(Br)c2)n1 ZINC000106902910 655114123 /nfs/dbraw/zinc/11/41/23/655114123.db2.gz YUHQFRKRPKWIRH-HNNXBMFYSA-N 1 0 377.286 2.849 20 0 GFADRO Cc1ccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)cc1Br ZINC000106963398 655115784 /nfs/dbraw/zinc/11/57/84/655115784.db2.gz USWJGOKBZRMPRT-CQSZACIVSA-N 1 0 394.313 2.829 20 0 GFADRO C[N@@H+]1CC[C@H]2CCN(C(=O)c3ccc(F)c(I)c3)[C@H]2C1 ZINC000272587831 655116733 /nfs/dbraw/zinc/11/67/33/655116733.db2.gz WXZQWIGTBNHGJS-HZMBPMFUSA-N 1 0 388.224 2.597 20 0 GFADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccn(-c4cccc(Br)c4)n3)[C@@H]2C1 ZINC000272657337 655118014 /nfs/dbraw/zinc/11/80/14/655118014.db2.gz QTWBBTKLWUGMTF-CXAGYDPISA-N 1 0 389.297 2.801 20 0 GFADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccn(-c4cccc(Br)c4)n3)[C@H]2C1 ZINC000272657339 655118038 /nfs/dbraw/zinc/11/80/38/655118038.db2.gz QTWBBTKLWUGMTF-DYVFJYSZSA-N 1 0 389.297 2.801 20 0 GFADRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(Br)c(O)c(OC)c2)[C@@]12CCCO2 ZINC000272649317 655118055 /nfs/dbraw/zinc/11/80/55/655118055.db2.gz FAGQHIWLXDBHAX-INMHGKMJSA-N 1 0 386.286 2.980 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)NCC(C)(C)[NH+](C)C ZINC000107205942 655118268 /nfs/dbraw/zinc/11/82/68/655118268.db2.gz MXCLNCLYTMKTOI-CQSZACIVSA-N 1 0 386.583 2.807 20 0 GFADRO C[C@H]([NH2+]C1CCN(CCS(C)(=O)=O)CC1)c1cccc(C(F)(F)F)c1 ZINC000159972419 655118286 /nfs/dbraw/zinc/11/82/86/655118286.db2.gz HNIKEOUKQKVYKJ-ZDUSSCGKSA-N 1 0 378.460 2.865 20 0 GFADRO C[NH+](C)CCCC1CCN(Cn2nc(N3CCOCC3)sc2=S)CC1 ZINC000160039114 655118690 /nfs/dbraw/zinc/11/86/90/655118690.db2.gz JYCASOCOEPMMBM-UHFFFAOYSA-N 1 0 385.603 2.522 20 0 GFADRO CC[NH+]1CCN([C@@H]2CCN(Cc3cc(Br)ccc3OC)C2)CC1 ZINC000107372072 655120255 /nfs/dbraw/zinc/12/02/55/655120255.db2.gz XXCZEHPQBQESJN-QGZVFWFLSA-N 1 0 382.346 2.670 20 0 GFADRO COc1ccc(Br)cc1CNC(=O)N[C@@H](C)C1=CC[N@H+](C)CC1 ZINC000272892424 655124363 /nfs/dbraw/zinc/12/43/63/655124363.db2.gz ZPEVOKYWIVKNGG-LBPRGKRZSA-N 1 0 382.302 2.907 20 0 GFADRO C[N@H+](CCc1ccc(S(N)(=O)=O)cc1)Cc1ccc(Br)cc1 ZINC000107908914 655126004 /nfs/dbraw/zinc/12/60/04/655126004.db2.gz AWOWSABLKUIPIH-UHFFFAOYSA-N 1 0 383.311 2.771 20 0 GFADRO C[C@@H](NC(=O)C[C@H]1Sc2ccc(Cl)cc2NC1=O)C1=CC[N@H+](C)CC1 ZINC000272949655 655126293 /nfs/dbraw/zinc/12/62/93/655126293.db2.gz MRHRSLKFPZAWJT-BDJLRTHQSA-N 1 0 379.913 2.910 20 0 GFADRO CC1CC[NH+](CCCNC(=O)c2sccc2S(=O)(=O)C(F)F)CC1 ZINC000108255018 655129559 /nfs/dbraw/zinc/12/95/59/655129559.db2.gz ONWMUUPCSYAKPD-UHFFFAOYSA-N 1 0 380.482 2.596 20 0 GFADRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)c2sccc2S(=O)(=O)C(F)F)C1 ZINC000108263176 655130046 /nfs/dbraw/zinc/13/00/46/655130046.db2.gz BETAQMCIDJKROH-NSHDSACASA-N 1 0 380.482 2.595 20 0 GFADRO O=S(=O)(/C=C/c1ccc(Br)cc1)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000108403816 655132067 /nfs/dbraw/zinc/13/20/67/655132067.db2.gz IGCSBBCAMZIEQS-DZZUKKPASA-N 1 0 385.327 2.824 20 0 GFADRO COCCN1CC[C@@H]([NH2+]C[C@H]2CCN(c3ccc(Br)cc3)C2)C1 ZINC000273148576 655132340 /nfs/dbraw/zinc/13/23/40/655132340.db2.gz XDFUYEXKRXDPQU-NVXWUHKLSA-N 1 0 382.346 2.586 20 0 GFADRO Cn1ncc(C(=O)NC[C@H]2CCCC[N@@H+]2Cc2ccccc2)c1Br ZINC000273192121 655134499 /nfs/dbraw/zinc/13/44/99/655134499.db2.gz IFCLXYDBYXUTAM-OAHLLOKOSA-N 1 0 391.313 2.967 20 0 GFADRO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)NCCc2ccc(Cl)s2)CC1 ZINC000108558647 655134760 /nfs/dbraw/zinc/13/47/60/655134760.db2.gz FGLBQCRVYCJMQG-HNNXBMFYSA-N 1 0 384.977 2.756 20 0 GFADRO C[N@@H+]1CCC[C@@H](CNC(=O)N2CCO[C@H](c3ccc(Br)cc3)C2)C1 ZINC000108588958 655134950 /nfs/dbraw/zinc/13/49/50/655134950.db2.gz LVHSGGMRKGJOPG-YOEHRIQHSA-N 1 0 396.329 2.874 20 0 GFADRO COc1ccc(Br)c(C(=O)NCCC[NH2+]Cc2c(C)n[nH]c2C)c1 ZINC000109350331 655145148 /nfs/dbraw/zinc/14/51/48/655145148.db2.gz DYUUICANTWGBRE-UHFFFAOYSA-N 1 0 395.301 2.707 20 0 GFADRO Cc1csc([C@](O)(CC(=O)NCC2([NH+](C)C)CCCC2)C(F)(F)F)n1 ZINC000109454975 655146718 /nfs/dbraw/zinc/14/67/18/655146718.db2.gz SYYKXPSQNIUGAO-OAHLLOKOSA-N 1 0 379.448 2.582 20 0 GFADRO O=C1OCCN1CCC[NH2+]Cc1cc(Br)ccc1OC(F)F ZINC000170874367 655147206 /nfs/dbraw/zinc/14/72/06/655147206.db2.gz YFBMIOQZFPUQFE-UHFFFAOYSA-N 1 0 379.201 2.982 20 0 GFADRO C[N@@H+]1CCCC[C@H]1CN1CCN(C[C@H](O)c2ccc(Br)cc2)CC1 ZINC000109754910 655151127 /nfs/dbraw/zinc/15/11/27/655151127.db2.gz KLXWNKLILVOMEE-OALUTQOASA-N 1 0 396.373 2.584 20 0 GFADRO CCOC(=O)CCC[N@@H+]1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000109867807 655153584 /nfs/dbraw/zinc/15/35/84/655153584.db2.gz DDYYKOMJWXZQTI-ZDUSSCGKSA-N 1 0 398.301 2.838 20 0 GFADRO C[N@H+]1CC=C(CNS(=O)(=O)c2c(Cl)cc(F)cc2Br)CC1 ZINC000273702891 655154877 /nfs/dbraw/zinc/15/48/77/655154877.db2.gz DCEFFZGMPRCZLE-UHFFFAOYSA-N 1 0 397.697 2.782 20 0 GFADRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)CCc2ccc(Cl)cc2Cl)C1 ZINC000110541756 655156907 /nfs/dbraw/zinc/15/69/07/655156907.db2.gz SOBHHYGVYGSVBE-CQSZACIVSA-N 1 0 386.323 2.630 20 0 GFADRO CS[C@@H]1CN(C(=O)Nc2nnc(/C=C/c3ccco3)s2)C[C@@H]1[NH+](C)C ZINC000273855452 655161019 /nfs/dbraw/zinc/16/10/19/655161019.db2.gz NUWXTQYYIGWZIF-VFZNBBLXSA-N 1 0 379.511 2.811 20 0 GFADRO CN(C)CC[NH+]1CCC(CNC(=O)COc2cc(Cl)cc(Cl)c2)CC1 ZINC000173409461 655170485 /nfs/dbraw/zinc/17/04/85/655170485.db2.gz JXGCUCPDJYAWHU-UHFFFAOYSA-N 1 0 388.339 2.762 20 0 GFADRO COCCC[N@H+](C)CCNS(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000173430924 655171986 /nfs/dbraw/zinc/17/19/86/655171986.db2.gz HIJHWFJVJBLKCL-UHFFFAOYSA-N 1 0 388.839 2.605 20 0 GFADRO CCC[N@H+](C)C[C@@H]1CCN(CN2c3ccc(Br)cc3C(=O)C2=O)C1 ZINC000173445016 655172769 /nfs/dbraw/zinc/17/27/69/655172769.db2.gz FYRWOLITBYVCRO-ZDUSSCGKSA-N 1 0 394.313 2.600 20 0 GFADRO COc1ccc(Br)cc1CC(=O)N(CC[NH+](C)C)C[C@H]1CCCO1 ZINC000173549902 655174609 /nfs/dbraw/zinc/17/46/09/655174609.db2.gz IATJXDZKVMVKPK-MRXNPFEDSA-N 1 0 399.329 2.569 20 0 GFADRO CSc1ccc(OC[C@@H](O)CN(CCO)Cc2cccnc2Cl)cc1 ZINC000839589431 661093981 /nfs/dbraw/zinc/09/39/81/661093981.db2.gz KSRNGCUKOLUKNS-HNNXBMFYSA-N 1 0 382.913 2.691 20 0 GFADRO CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)Nc2ccc(C)c(Br)c2)C1 ZINC000173709658 655177020 /nfs/dbraw/zinc/17/70/20/655177020.db2.gz SLGBHJBEMOXQQM-AWEZNQCLSA-N 1 0 382.302 2.639 20 0 GFADRO CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2c(C)cc(Br)cc2C)C1 ZINC000173729166 655178150 /nfs/dbraw/zinc/17/81/50/655178150.db2.gz HJBHIRLSALDXKK-CQSZACIVSA-N 1 0 396.329 2.805 20 0 GFADRO C[C@H]([NH2+]Cc1ccc(C(=O)NCC(N)=O)cc1)c1ccc(Br)cc1 ZINC000173944001 655187294 /nfs/dbraw/zinc/18/72/94/655187294.db2.gz CVRYYWXSSDMAQA-LBPRGKRZSA-N 1 0 390.281 2.515 20 0 GFADRO Brc1ccc(-c2c[nH]c(C[NH2+]CCCN3CCOCC3)n2)cc1 ZINC000112370624 655190128 /nfs/dbraw/zinc/19/01/28/655190128.db2.gz CMTMJBGYARRZGR-UHFFFAOYSA-N 1 0 379.302 2.651 20 0 GFADRO Brc1ccc(-c2c[nH]c(C[NH2+]C[C@@H]3CN(C4CC4)CCO3)n2)cc1 ZINC000112374233 655190434 /nfs/dbraw/zinc/19/04/34/655190434.db2.gz GOIWOLCVQZACQZ-MRXNPFEDSA-N 1 0 391.313 2.792 20 0 GFADRO COc1ccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2ncccn2)cc1Br ZINC000112518370 655192839 /nfs/dbraw/zinc/19/28/39/655192839.db2.gz KWTRLUZQOCBQTI-WDEREUQCSA-N 1 0 379.258 2.926 20 0 GFADRO C[C@H]([NH2+]Cc1ccc(C(=O)NCC(N)=O)cc1)c1ccccc1Br ZINC000112530733 655193086 /nfs/dbraw/zinc/19/30/86/655193086.db2.gz IRRWMOZLKAMCBC-LBPRGKRZSA-N 1 0 390.281 2.515 20 0 GFADRO CCOC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2ccc(S(=O)(=O)C(F)F)cc2)C1 ZINC000274581503 655193819 /nfs/dbraw/zinc/19/38/19/655193819.db2.gz CKVTYPOPIMDOTI-WCQYABFASA-N 1 0 376.425 2.564 20 0 GFADRO NC(=O)[C@@H]1C[N@H+](C[C@@H](O)c2ccc(Br)cc2)C[C@H]1c1ccccc1 ZINC000839640772 661097916 /nfs/dbraw/zinc/09/79/16/661097916.db2.gz MCEOIKKCFXLSII-RCCFBDPRSA-N 1 0 389.293 2.683 20 0 GFADRO C[C@H]([NH2+]CC1(c2cccc(Br)c2)CCCCC1)C(=O)NC(N)=O ZINC000174281647 655196854 /nfs/dbraw/zinc/19/68/54/655196854.db2.gz LHIAISGZRFWDDX-LBPRGKRZSA-N 1 0 382.302 2.824 20 0 GFADRO CS(=O)(=O)N(CC(F)(F)F)C1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000112731980 655196883 /nfs/dbraw/zinc/19/68/83/655196883.db2.gz MLCSUMSLQBYZQK-VMPITWQZSA-N 1 0 376.444 2.988 20 0 GFADRO NC(=O)[C@@H](N[C@@H]1CC[N@H+](CC2CCCC2)C1)c1ccc(Br)cc1F ZINC000174318447 655199031 /nfs/dbraw/zinc/19/90/31/655199031.db2.gz PPKSFSFWCJXBOM-PBHICJAKSA-N 1 0 398.320 2.969 20 0 GFADRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)c2cc(Br)cnc2N(C)C)C1 ZINC000113158800 655204278 /nfs/dbraw/zinc/20/42/78/655204278.db2.gz ULDQGBQKBAHZIW-ZDUSSCGKSA-N 1 0 383.334 2.760 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1cc(Br)cnc1N(C)C ZINC000113413588 655210150 /nfs/dbraw/zinc/21/01/50/655210150.db2.gz XBJRNIKRIDZFFF-CYBMUJFWSA-N 1 0 383.334 2.904 20 0 GFADRO C[NH+](C)C[C@H]1CCN(C(=O)COc2ccc(Br)cc2Cl)C1 ZINC000113457230 655210793 /nfs/dbraw/zinc/21/07/93/655210793.db2.gz ZFWZRRMLTHLDDN-LLVKDONJSA-N 1 0 375.694 2.891 20 0 GFADRO COc1ccc(Br)cc1C(=O)CCC(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000113458764 655210945 /nfs/dbraw/zinc/21/09/45/655210945.db2.gz FKUJROFYDUOUQX-ZDUSSCGKSA-N 1 0 397.313 2.831 20 0 GFADRO Cc1nn(C)c(Cl)c1S(=O)(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000113945282 655216266 /nfs/dbraw/zinc/21/62/66/655216266.db2.gz LYIFONGDHVXYPG-DZGCQCFKSA-N 1 0 388.965 2.657 20 0 GFADRO C[NH+](C)C1(CNC(=O)CCCOc2cccc(Br)c2)CCOCC1 ZINC000113990496 655216927 /nfs/dbraw/zinc/21/69/27/655216927.db2.gz HIQADRSHMRMASU-UHFFFAOYSA-N 1 0 399.329 2.835 20 0 GFADRO COc1ccc(Br)c(S(=O)(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000175305825 655219340 /nfs/dbraw/zinc/21/93/40/655219340.db2.gz PMCDUOUHYQACBQ-NEPJUHHUSA-N 1 0 391.331 2.561 20 0 GFADRO C[NH+](C)C[C@@H]1CCN(CC(=O)Nc2c(F)cc(F)cc2Br)C1 ZINC000114478100 655224936 /nfs/dbraw/zinc/22/49/36/655224936.db2.gz BXWFDXDOIXNHTB-JTQLQIEISA-N 1 0 376.245 2.549 20 0 GFADRO C[NH+](C)CCCNC(=O)c1nnn(-c2ccc(Br)cc2)c1C1CC1 ZINC000114674948 655227018 /nfs/dbraw/zinc/22/70/18/655227018.db2.gz PGYIXLSNCHTSTO-UHFFFAOYSA-N 1 0 392.301 2.589 20 0 GFADRO Cc1cc(NC(=O)C(=O)N2CCC=C(Br)C2)ccc1C[NH+](C)C ZINC000839548287 661091355 /nfs/dbraw/zinc/09/13/55/661091355.db2.gz OQHKDNFADHRHDO-UHFFFAOYSA-N 1 0 380.286 2.506 20 0 GFADRO O=C(NCC[NH+]1CCCCCC1)C(=O)Nc1nc(-c2cccs2)cs1 ZINC000175840714 655228168 /nfs/dbraw/zinc/22/81/68/655228168.db2.gz BPFQMXZZRUETIU-UHFFFAOYSA-N 1 0 378.523 2.802 20 0 GFADRO C[C@@H]([NH2+]CCS(=O)(=O)CC(=O)OC(C)(C)C)c1ccc2ncsc2c1 ZINC000839568761 661092404 /nfs/dbraw/zinc/09/24/04/661092404.db2.gz UTUHOOXOSIAEHI-GFCCVEGCSA-N 1 0 384.523 2.703 20 0 GFADRO C[C@H](NC(=O)C[N@H+](CCO)C1CCOCC1)c1ccc(Cl)c(Cl)c1 ZINC000275505452 655239026 /nfs/dbraw/zinc/23/90/26/655239026.db2.gz HHIHKVXXHXIGGL-LBPRGKRZSA-N 1 0 375.296 2.644 20 0 GFADRO C[C@H]1CCC[C@](CNC(=O)CS(=O)(=O)c2ccc(Cl)cc2)([NH+](C)C)C1 ZINC000115667413 655241171 /nfs/dbraw/zinc/24/11/71/655241171.db2.gz WQDJQSCNGPYKGE-KSSFIOAISA-N 1 0 386.945 2.740 20 0 GFADRO CCn1nccc1[C@@H]1OCC[C@H]1C[NH2+][C@H](C)Cn1cc(Br)cn1 ZINC000275563558 655242115 /nfs/dbraw/zinc/24/21/15/655242115.db2.gz OABQFRYGZQOPJO-DVOMOZLQSA-N 1 0 382.306 2.618 20 0 GFADRO CC(C)C[C@@H](CNC(=O)c1cc(=O)[nH]c2c(Br)cccc12)[NH+](C)C ZINC000176482856 655247116 /nfs/dbraw/zinc/24/71/16/655247116.db2.gz AZPSHHJDTMUGOV-LBPRGKRZSA-N 1 0 394.313 2.997 20 0 GFADRO CCCCNC(=O)CC[N@H+](CCO)Cc1cc(Br)ccc1F ZINC000116276541 655247171 /nfs/dbraw/zinc/24/71/71/655247171.db2.gz HUSRLPFHKJHKOJ-UHFFFAOYSA-N 1 0 375.282 2.689 20 0 GFADRO CS[C@H]1CN(C(=O)c2nc(Br)cs2)C[C@@H]1[NH+]1CCCC1 ZINC000275706929 655247846 /nfs/dbraw/zinc/24/78/46/655247846.db2.gz QPSHCOSUVNHUNV-UWVGGRQHSA-N 1 0 376.345 2.557 20 0 GFADRO COc1c(Cl)cc(NC(=O)C(=O)N(C)C[C@H]2CCC[N@H+](C)C2)cc1Cl ZINC000275753434 655249540 /nfs/dbraw/zinc/24/95/40/655249540.db2.gz YPFRXMOVWZEFPR-NSHDSACASA-N 1 0 388.295 2.741 20 0 GFADRO C[C@H](C(=O)Nc1ccc(Br)cc1)[N@@H+]1CCC[C@H](C2OCCO2)C1 ZINC000116645916 655250708 /nfs/dbraw/zinc/25/07/08/655250708.db2.gz KDJGZXDHZIGFRC-OLZOCXBDSA-N 1 0 383.286 2.861 20 0 GFADRO [NH3+][C@@H]1CCC[C@@H](NC(=O)CCC[S@@](=O)c2ccc(Br)cc2)C1 ZINC000275803052 655251767 /nfs/dbraw/zinc/25/17/67/655251767.db2.gz TZSFZIPLPWLFBN-XDEPDNQISA-N 1 0 387.343 2.723 20 0 GFADRO CC(C)CS(=O)(=O)CCC(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1 ZINC000116816626 655254141 /nfs/dbraw/zinc/25/41/41/655254141.db2.gz VPLVLYMHVSLGNM-UHFFFAOYSA-N 1 0 390.933 2.680 20 0 GFADRO CN(Cc1cc(Br)cs1)C(=O)C[N@H+](C)[C@H]1CC[C@H](O)CC1 ZINC000275907156 655255142 /nfs/dbraw/zinc/25/51/42/655255142.db2.gz WGKNTVGVQHTMPV-JOCQHMNTSA-N 1 0 375.332 2.704 20 0 GFADRO COCCOC1CC[NH+](CC(=O)N[C@@H](C)c2ccc(Br)cc2)CC1 ZINC000116886061 655255323 /nfs/dbraw/zinc/25/53/23/655255323.db2.gz ZMXBQWSONWMAET-AWEZNQCLSA-N 1 0 399.329 2.754 20 0 GFADRO C[NH+](C)CCOc1ccc(NC(=O)C(=O)NCc2cccs2)cc1Cl ZINC000117059147 655258783 /nfs/dbraw/zinc/25/87/83/655258783.db2.gz INHCUPTYPSJVQG-UHFFFAOYSA-N 1 0 381.885 2.597 20 0 GFADRO Cc1cc(C)c(NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)c(Br)c1 ZINC000276020193 655259015 /nfs/dbraw/zinc/25/90/15/655259015.db2.gz KPHDSTMYVJZWIM-UKRRQHHQSA-N 1 0 396.329 2.803 20 0 GFADRO CCO[C@H](CC[NH+](C)C)CNC(=O)[C@H](C)Oc1ccccc1Br ZINC000176911224 655260769 /nfs/dbraw/zinc/26/07/69/655260769.db2.gz SPTVIJZPASDGIR-UONOGXRCSA-N 1 0 387.318 2.689 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)c2csc(I)c2)C[N@@H+]1C1CC1 ZINC000177048270 655266124 /nfs/dbraw/zinc/26/61/24/655266124.db2.gz WRXDWDKLTMVWPN-SCZZXKLOSA-N 1 0 376.263 2.708 20 0 GFADRO CCc1nc(C)c([C@@H](C)[N@H+](C)CCC(=O)NC(=O)NCC(F)(F)F)s1 ZINC000177126618 655269498 /nfs/dbraw/zinc/26/94/98/655269498.db2.gz AZHCKQLKAPVCAM-SNVBAGLBSA-N 1 0 380.436 2.785 20 0 GFADRO Cc1c(Br)cccc1NC(=O)C(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000118112866 655272143 /nfs/dbraw/zinc/27/21/43/655272143.db2.gz HFPDFACAMYAXJR-CQSZACIVSA-N 1 0 396.329 2.933 20 0 GFADRO Cc1cc(F)c(Br)cc1NC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000276391142 655273771 /nfs/dbraw/zinc/27/37/71/655273771.db2.gz BVPHLLNIWGTRRR-HIFRSBDPSA-N 1 0 398.276 2.578 20 0 GFADRO C[NH+](C)C(C)(C)CNC(=O)c1nc(Br)ccc1Br ZINC000276690841 655283903 /nfs/dbraw/zinc/28/39/03/655283903.db2.gz MXFPYGXPUKDQBX-UHFFFAOYSA-N 1 0 379.096 2.677 20 0 GFADRO Cc1ccc([C@@H](C[NH2+][C@H](C)Cn2cc(Br)cn2)N2CCOCC2)o1 ZINC000118953706 655284377 /nfs/dbraw/zinc/28/43/77/655284377.db2.gz VXYFIXKZJYLKLN-CZUORRHYSA-N 1 0 397.317 2.599 20 0 GFADRO CN(Cc1cc(Br)cs1)C(=O)C[N@@H+]1CCC[C@@H]1C(C)(C)O ZINC000119021244 655286885 /nfs/dbraw/zinc/28/68/85/655286885.db2.gz YHQOMMOIBUINSP-CYBMUJFWSA-N 1 0 375.332 2.704 20 0 GFADRO CC(C)(CNC(=O)C(=O)Nc1ccccc1Br)C[NH+]1CCCC1 ZINC000276765241 655286908 /nfs/dbraw/zinc/28/69/08/655286908.db2.gz KDTDEDBJFHKIDC-UHFFFAOYSA-N 1 0 382.302 2.626 20 0 GFADRO O=C1CCCN1[C@@H]1CC[N@@H+](CC2=Cc3cc(Br)ccc3OC2)C1 ZINC000276848492 655290091 /nfs/dbraw/zinc/29/00/91/655290091.db2.gz UKKOEMMKUCVKFE-MRXNPFEDSA-N 1 0 377.282 2.922 20 0 GFADRO C[C@@H]1CC[N@H+](CC(=O)NCC(=O)Nc2ccccc2Br)[C@H](C)C1 ZINC000119188567 655292242 /nfs/dbraw/zinc/29/22/42/655292242.db2.gz BMERXFMCYOYVCI-CHWSQXEVSA-N 1 0 382.302 2.624 20 0 GFADRO O=S(=O)(NC[C@H]1CC[N@@H+](C2CC2)C1)c1cccc(Cl)c1Br ZINC000276981017 655296393 /nfs/dbraw/zinc/29/63/93/655296393.db2.gz YKJKXVZNFOCTCU-SNVBAGLBSA-N 1 0 393.734 2.865 20 0 GFADRO CN(C(=O)c1c(F)cccc1I)[C@H]1CCC[N@H+](C)C1 ZINC000119385082 655301922 /nfs/dbraw/zinc/30/19/22/655301922.db2.gz IUBCZOFEVRETIY-JTQLQIEISA-N 1 0 376.213 2.597 20 0 GFADRO CN1CCN(C(=O)CC[NH2+][C@H]2CCCOc3c(Cl)c(Cl)ccc32)CC1 ZINC000178673980 655308001 /nfs/dbraw/zinc/30/80/01/655308001.db2.gz YKBRKRFNXXEDQL-HNNXBMFYSA-N 1 0 386.323 2.961 20 0 GFADRO C[C@H]([NH2+]CCC(=O)N1CCN(C)CC1)c1cc(Cl)ccc1OC(F)F ZINC000178673674 655308038 /nfs/dbraw/zinc/30/80/38/655308038.db2.gz CMOJTLGQWCLYOE-LBPRGKRZSA-N 1 0 375.847 2.756 20 0 GFADRO C[C@H]([NH3+])CCNC(=O)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000178684854 655308440 /nfs/dbraw/zinc/30/84/40/655308440.db2.gz KBZHPZJPFQBXBP-JTQLQIEISA-N 1 0 378.826 2.824 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2cc(Br)ccc2C)[C@H](C)C1 ZINC000119712480 655312136 /nfs/dbraw/zinc/31/21/36/655312136.db2.gz ICVBENVCQGXCBC-CZUORRHYSA-N 1 0 396.329 2.885 20 0 GFADRO C[C@@H]1C[N@H+](CCCNC(=O)NCc2cc(Br)cs2)CCCO1 ZINC000277332565 655313349 /nfs/dbraw/zinc/31/33/49/655313349.db2.gz GMOQXAKCOSOGQQ-GFCCVEGCSA-N 1 0 390.347 2.811 20 0 GFADRO C[C@H]([NH2+]C1CCN(S(=O)(=O)C(C)(C)C)CC1)c1ccc([S@](C)=O)cc1 ZINC000277346445 655314033 /nfs/dbraw/zinc/31/40/33/655314033.db2.gz YRIKTHWHKJJFJD-BSEYFRJRSA-N 1 0 386.583 2.667 20 0 GFADRO C[NH+](C)[C@@H]1CCCN(C(=O)c2ccc(I)c(F)c2)CC1 ZINC000277351030 655314145 /nfs/dbraw/zinc/31/41/45/655314145.db2.gz UCOHDNYQSHUNMQ-GFCCVEGCSA-N 1 0 390.240 2.987 20 0 GFADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[C@H](O)c2cc(Cl)cc(Cl)c2)C1 ZINC000179618730 655315293 /nfs/dbraw/zinc/31/52/93/655315293.db2.gz VYDPPZSRSNQMOM-IRXDYDNUSA-N 1 0 389.323 2.890 20 0 GFADRO Cc1c(Br)cc(C(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)c(=O)n1C ZINC000277476364 655321766 /nfs/dbraw/zinc/32/17/66/655321766.db2.gz QLVKSHKMJDDLOR-CQSZACIVSA-N 1 0 396.329 2.547 20 0 GFADRO COC[C@H]([NH2+][C@H](C)C(=O)N(C)Cc1ccc(Br)cc1)[C@H]1CCCO1 ZINC000278747309 655326168 /nfs/dbraw/zinc/32/61/68/655326168.db2.gz MDXLENZNWZYSFG-XOKHGSTOSA-N 1 0 399.329 2.580 20 0 GFADRO O=C(CCCOc1ccc(I)cc1)NNc1cc[nH+]cc1 ZINC000180502654 655327466 /nfs/dbraw/zinc/32/74/66/655327466.db2.gz YRMWXTUMWDZOSR-UHFFFAOYSA-N 1 0 397.216 2.989 20 0 GFADRO O=C(c1cccc(Br)n1)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000180747164 655329819 /nfs/dbraw/zinc/32/98/19/655329819.db2.gz GGGUNJJSAPUANQ-UHFFFAOYSA-N 1 0 396.329 2.809 20 0 GFADRO C[NH+](C)CCn1cc(NC(=O)c2[nH]c3ccccc3c2Br)cn1 ZINC000120232665 655331891 /nfs/dbraw/zinc/33/18/91/655331891.db2.gz NFRDDLOPWNWFQM-UHFFFAOYSA-N 1 0 376.258 2.941 20 0 GFADRO Cc1cc(Br)ccc1C(=O)NC[C@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000120473408 655336615 /nfs/dbraw/zinc/33/66/15/655336615.db2.gz FPYKMZVPCKLVKW-QGZVFWFLSA-N 1 0 382.346 2.759 20 0 GFADRO CCc1nc(C(=O)NCC2CC[NH2+]CC2)nn1-c1c(Cl)cccc1Cl ZINC000120489138 655337054 /nfs/dbraw/zinc/33/70/54/655337054.db2.gz RFJHGMQHWGEAKK-UHFFFAOYSA-N 1 0 382.295 2.866 20 0 GFADRO C[N@@H+]1CCN(CCNC(=O)c2ccc(Br)cc2Cl)CC1(C)C ZINC000281802095 655337930 /nfs/dbraw/zinc/33/79/30/655337930.db2.gz PEWMISPGQPLKCR-UHFFFAOYSA-N 1 0 388.737 2.858 20 0 GFADRO O=C1[C@H](c2cccc(Br)c2)CCN1CN1CC[NH+](C2CC2)CC1 ZINC000839981919 661122158 /nfs/dbraw/zinc/12/21/58/661122158.db2.gz JBJSYEGSKZVTGO-KRWDZBQOSA-N 1 0 378.314 2.503 20 0 GFADRO CSC[C@](C)(O)C[NH2+]Cc1cc(Br)c2c(c1)OCCCO2 ZINC000120624291 655340658 /nfs/dbraw/zinc/34/06/58/655340658.db2.gz BGDAMBJQAUECIC-OAHLLOKOSA-N 1 0 376.316 2.814 20 0 GFADRO CC(C)(COc1ncccc1C(F)(F)F)[NH2+]C[C@H]1CCCS(=O)(=O)C1 ZINC000284276013 655341406 /nfs/dbraw/zinc/34/14/06/655341406.db2.gz XROPAQYEUAXPEY-GFCCVEGCSA-N 1 0 380.432 2.672 20 0 GFADRO C[C@H](CNC(=O)NCc1cc2c(c(Br)c1)OCO2)C[NH+]1CCCC1 ZINC000120859525 655345688 /nfs/dbraw/zinc/34/56/88/655345688.db2.gz DQOVZPPSLCEYQL-GFCCVEGCSA-N 1 0 398.301 2.709 20 0 GFADRO COc1ccc(C(=O)NCc2ccccc2C[NH+](C)C)nc1Br ZINC000182627810 655345717 /nfs/dbraw/zinc/34/57/17/655345717.db2.gz RSYMYYIYRNVDIM-UHFFFAOYSA-N 1 0 378.270 2.844 20 0 GFADRO CN(C(=O)NCc1ccc(O)c(Br)c1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000289323411 655346650 /nfs/dbraw/zinc/34/66/50/655346650.db2.gz XMYUQEIVJSHZHZ-PBWFPOADSA-N 1 0 382.302 2.921 20 0 GFADRO C[C@@H](CCNC(=O)NNC(=O)c1cccc(Br)c1)[NH+]1CCCCC1 ZINC000182713663 655346676 /nfs/dbraw/zinc/34/66/76/655346676.db2.gz DQDKAAZDHKVHIK-ZDUSSCGKSA-N 1 0 397.317 2.658 20 0 GFADRO OC[C@@H]1CC[C@H](C[NH2+]C2CCN(Cc3ccccc3Br)CC2)O1 ZINC000292615606 655352520 /nfs/dbraw/zinc/35/25/20/655352520.db2.gz IKJJZCQTJKGLFG-SJORKVTESA-N 1 0 383.330 2.543 20 0 GFADRO O=S(=O)(NC1CCCC1)[C@H]1CCCN(C[C@@H](O)c2cccc(Cl)c2)C1 ZINC000183753956 655353338 /nfs/dbraw/zinc/35/33/38/655353338.db2.gz ZNYZFQRGRPHKAD-ZWKOTPCHSA-N 1 0 386.945 2.700 20 0 GFADRO CC1([C@@H]2CCC[N@H+](CC(=O)Nc3ccc(Br)cc3)C2)OCCO1 ZINC000183896507 655354261 /nfs/dbraw/zinc/35/42/61/655354261.db2.gz VOCHMGLAMJOHEW-CYBMUJFWSA-N 1 0 383.286 2.863 20 0 GFADRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@H](CO)c2cccc(Br)c2)c1 ZINC000183891024 655354279 /nfs/dbraw/zinc/35/42/79/655354279.db2.gz IMEVPKNGLTXEQA-CVEARBPZSA-N 1 0 381.226 2.714 20 0 GFADRO Cc1ccc(S(=O)(=O)N(CC[NH+](C)C)Cc2ccccc2F)c(Cl)n1 ZINC000185474298 655364606 /nfs/dbraw/zinc/36/46/06/655364606.db2.gz IDPYZYWACNLULC-UHFFFAOYSA-N 1 0 385.892 2.935 20 0 GFADRO C[C@]1(C[C@@H]2CCC[N@@H+]2Cc2cccc(F)c2Br)NC(=O)NC1=O ZINC000296149334 655368219 /nfs/dbraw/zinc/36/82/19/655368219.db2.gz VVCMFNPYXHGCCX-MEDUHNTESA-N 1 0 384.249 2.541 20 0 GFADRO Cc1nc(SC(F)(F)F)sc1CC(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000296296529 655368466 /nfs/dbraw/zinc/36/84/66/655368466.db2.gz IFVAYLNLHACZON-LLVKDONJSA-N 1 0 397.488 2.569 20 0 GFADRO Cc1cc(CC(C)(C)C(=O)NCC[NH+]2CCC(O)CC2)ccc1Br ZINC000297065923 655369372 /nfs/dbraw/zinc/36/93/72/655369372.db2.gz VBJZJLJGYQSFCM-UHFFFAOYSA-N 1 0 397.357 2.899 20 0 GFADRO CCO[C@@H]1C[C@](CO)([NH2+]Cc2cc(Br)cc(OC)c2O)C1(C)C ZINC000186577695 655370190 /nfs/dbraw/zinc/37/01/90/655370190.db2.gz WXEPUHLPDLHWOR-RHSMWYFYSA-N 1 0 388.302 2.819 20 0 GFADRO CCO[C@@H]1C[C@@](CO)([NH2+]Cc2cc(Br)cc(OC)c2O)C1(C)C ZINC000186577650 655370212 /nfs/dbraw/zinc/37/02/12/655370212.db2.gz WXEPUHLPDLHWOR-PBHICJAKSA-N 1 0 388.302 2.819 20 0 GFADRO O=C(NC1CC[NH+](C2CC2)CC1)c1cc(Br)c2c(c1)OCCO2 ZINC000299471371 655376436 /nfs/dbraw/zinc/37/64/36/655376436.db2.gz BSTVCUIMCIYZPG-UHFFFAOYSA-N 1 0 381.270 2.577 20 0 GFADRO Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)[NH2+]CC1CN(S(C)(=O)=O)C1 ZINC000187819352 655376635 /nfs/dbraw/zinc/37/66/35/655376635.db2.gz HNZNZVKTXRZSJZ-NSHDSACASA-N 1 0 383.514 2.800 20 0 GFADRO Cc1ccc(I)c(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)c1 ZINC000299626535 655377506 /nfs/dbraw/zinc/37/75/06/655377506.db2.gz FVDPUQIFWSLVGD-HUUCEWRRSA-N 1 0 384.261 2.956 20 0 GFADRO Cn1ncc(NC[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)c(Br)c1=O ZINC000310317669 655378997 /nfs/dbraw/zinc/37/89/97/655378997.db2.gz VSCHNBCVAQCBJC-GOSISDBHSA-N 1 0 391.313 2.867 20 0 GFADRO Cc1ccc(Br)nc1C(=O)NCCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000188277474 655379119 /nfs/dbraw/zinc/37/91/19/655379119.db2.gz VABBZMUZCIVKLP-KBPBESRZSA-N 1 0 384.318 2.772 20 0 GFADRO CS(=O)(=O)c1ccc([C@@H](O)C[NH2+]Cc2ccccc2Br)cc1 ZINC000314596047 655380426 /nfs/dbraw/zinc/38/04/26/655380426.db2.gz BXIZOXVOHMAWBF-INIZCTEOSA-N 1 0 384.295 2.676 20 0 GFADRO CCOC(=O)N1CCC([NH2+]C[C@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000327133705 655385693 /nfs/dbraw/zinc/38/56/93/655385693.db2.gz RANPRZOOTTVWQV-ZDUSSCGKSA-N 1 0 391.295 2.944 20 0 GFADRO Cc1c(C(=O)N2CC[C@@]3(CCC[NH2+]3)C2)cnn1-c1cccc(Br)c1 ZINC000333874092 655388221 /nfs/dbraw/zinc/38/82/21/655388221.db2.gz VBNBWXYUUVRFEO-SFHVURJKSA-N 1 0 389.297 2.911 20 0 GFADRO O=C(C[NH2+][C@@H]1c2ccccc2CC[C@@H]1CO)Nc1ccc(Br)cn1 ZINC000365226617 655392317 /nfs/dbraw/zinc/39/23/17/655392317.db2.gz XKCPEJMACUTPAC-ACJLOTCBSA-N 1 0 390.281 2.668 20 0 GFADRO CCCS(=O)(=O)CC[NH2+][C@@H]1CCN(CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000374763398 655401959 /nfs/dbraw/zinc/40/19/59/655401959.db2.gz FSNWRPWGSDAVRQ-WBVHZDCISA-N 1 0 378.460 2.654 20 0 GFADRO CCCS(=O)(=O)CC[NH2+][C@H]1CCN(CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000374763396 655401989 /nfs/dbraw/zinc/40/19/89/655401989.db2.gz FSNWRPWGSDAVRQ-RDJZCZTQSA-N 1 0 378.460 2.654 20 0 GFADRO COCCN(Cc1ccc(Br)s1)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000418327127 655405489 /nfs/dbraw/zinc/40/54/89/655405489.db2.gz YOPGWSHHEROLFW-LBPRGKRZSA-N 1 0 390.347 2.668 20 0 GFADRO [NH3+]C[C@H](NC(=O)N[C@@H](CO)c1cccc(Br)c1)C1CCCCC1 ZINC000418355473 655405863 /nfs/dbraw/zinc/40/58/63/655405863.db2.gz FQTANEKQNVRHIO-HOTGVXAUSA-N 1 0 384.318 2.689 20 0 GFADRO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)NCC(F)(F)c1ccc(Cl)cc1 ZINC000419502948 655406897 /nfs/dbraw/zinc/40/68/97/655406897.db2.gz GGTVEYBZJRQAMB-STQMWFEESA-N 1 0 375.847 2.528 20 0 GFADRO O=C1c2cc(Br)ccc2CN1C[N@H+]1CCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000840119631 661135868 /nfs/dbraw/zinc/13/58/68/661135868.db2.gz IABBQJDGSPRZKE-UAGQMJEPSA-N 1 0 379.298 2.988 20 0 GFADRO C[NH+](C)CCN1CCN(C(=O)c2cc(F)c(Br)cc2Cl)CC1 ZINC000474384519 655415708 /nfs/dbraw/zinc/41/57/08/655415708.db2.gz LSDQRPTUYIDOGB-UHFFFAOYSA-N 1 0 392.700 2.561 20 0 GFADRO CS(=O)(=O)N[C@@H]1CCCC[C@@H]1C[NH2+]Cc1csc(Br)c1 ZINC000512903692 655418212 /nfs/dbraw/zinc/41/82/12/655418212.db2.gz DUSJYUUAMYKPOF-VXGBXAGGSA-N 1 0 381.361 2.708 20 0 GFADRO O[C@H](C[NH2+]CC1(CF)CCOCC1)COc1ccc(Br)cc1 ZINC000517926843 655419418 /nfs/dbraw/zinc/41/94/18/655419418.db2.gz UKZMZZRURKBHBX-CQSZACIVSA-N 1 0 376.266 2.545 20 0 GFADRO O=S1(=O)CC[C@H](N[C@H]2CC[NH2+]C23CCC3)c2cc(Br)ccc21 ZINC000530214887 655420501 /nfs/dbraw/zinc/42/05/01/655420501.db2.gz DHGNHRNPBFQGLM-ZFWWWQNUSA-N 1 0 385.327 2.542 20 0 GFADRO [NH3+]C1CCC(NC(=O)c2ccc(I)c(Cl)c2)CC1 ZINC000226236228 655422604 /nfs/dbraw/zinc/42/26/04/655422604.db2.gz SMCODXSIUSMTMD-UHFFFAOYSA-N 1 0 378.641 2.944 20 0 GFADRO C[C@@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000560655649 655423482 /nfs/dbraw/zinc/42/34/82/655423482.db2.gz WYQIJXPCYUFPSP-WCQYABFASA-N 1 0 384.307 2.866 20 0 GFADRO C[N@@H+]1CCN(c2ncc(I)cn2)[C@@H](c2ccccc2)C1 ZINC000231711123 655423657 /nfs/dbraw/zinc/42/36/57/655423657.db2.gz OLEDUYWNYTURCZ-CQSZACIVSA-N 1 0 380.233 2.574 20 0 GFADRO CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)c3ccsc3Br)C2)CC1 ZINC000562683068 655424231 /nfs/dbraw/zinc/42/42/31/655424231.db2.gz HKXUQSCONMSDAG-CYBMUJFWSA-N 1 0 386.359 2.751 20 0 GFADRO C[C@@H]([NH3+])[C@@H]1CCCCN1S(=O)(=O)c1ccc(Cl)c(Br)c1 ZINC000235157432 655424436 /nfs/dbraw/zinc/42/44/36/655424436.db2.gz LNJBAZMYMGJULJ-RNCFNFMXSA-N 1 0 381.723 2.993 20 0 GFADRO CN(C1CC([NH3+])C1)S(=O)(=O)c1cc(Br)cc(C(F)(F)F)c1 ZINC000566068732 655424670 /nfs/dbraw/zinc/42/46/70/655424670.db2.gz ZCHHJALLKHEPHT-UHFFFAOYSA-N 1 0 387.221 2.578 20 0 GFADRO CC(C)(CO)[C@@H]([NH2+]CCOc1cccc(S(C)(=O)=O)c1)c1cccs1 ZINC000567199847 655425102 /nfs/dbraw/zinc/42/51/02/655425102.db2.gz FPYDQPFWQDBXTO-KRWDZBQOSA-N 1 0 383.535 2.880 20 0 GFADRO C[C@@H]1CN(Cn2nc(-c3ccc(Cl)cc3)oc2=S)C[C@H](C)[N@H+]1CCO ZINC000840137231 661138511 /nfs/dbraw/zinc/13/85/11/661138511.db2.gz ZUDWJJLYDOVWEK-BETUJISGSA-N 1 0 382.917 2.870 20 0 GFADRO CC(=O)NCCN(Cc1ccc(Cl)cc1Cl)C(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000574199527 655426250 /nfs/dbraw/zinc/42/62/50/655426250.db2.gz HFRHCRNPTSYSPP-NWDGAFQWSA-N 1 0 389.327 2.767 20 0 GFADRO [NH3+]C[C@H]1CCCC[C@H]1NC(=O)CN1C(=S)N=NC1c1ccc(Cl)cc1 ZINC000238010900 655426990 /nfs/dbraw/zinc/42/69/90/655426990.db2.gz MCLVKKIHMSKRKK-TZMCWYRMSA-N 1 0 379.917 2.521 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)C(=O)N(C)Cc2c(Cl)cccc2Cl)C[N@@H+]1C1CC1 ZINC000574318236 655428936 /nfs/dbraw/zinc/42/89/36/655428936.db2.gz YHCAPYXZORYQSY-NEPJUHHUSA-N 1 0 384.307 2.693 20 0 GFADRO CO[C@H](CS(=O)(=O)Nc1ccc(C[NH+]2CCSCC2)cc1C)C1CC1 ZINC000574811554 655431211 /nfs/dbraw/zinc/43/12/11/655431211.db2.gz ZRFYCPXWPSIRHM-GOSISDBHSA-N 1 0 384.567 2.711 20 0 GFADRO O=C(NCC1CC1)[C@@H]1CCC[N@@H+](C[C@H](O)c2ccc(F)c(Br)c2)C1 ZINC000248576378 655432845 /nfs/dbraw/zinc/43/28/45/655432845.db2.gz TXPVTUBYTWVFGA-PBHICJAKSA-N 1 0 399.304 2.860 20 0 GFADRO C[C@H]([NH2+]C[C@@H]1CN2CCC[C@H]2CO1)c1ccc(I)cc1 ZINC000252541110 655435172 /nfs/dbraw/zinc/43/51/72/655435172.db2.gz DIRQIIYWOLHFMP-VBNZEHGJSA-N 1 0 386.277 2.805 20 0 GFADRO O=S(=O)(/C=C\c1cccc(Br)c1)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000254952644 655436021 /nfs/dbraw/zinc/43/60/21/655436021.db2.gz NHLDKUNRCURLDB-LEJCZOIISA-N 1 0 385.327 2.824 20 0 GFADRO C[C@H](C[C@H]1COCCN1)[NH2+][C@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O ZINC000575172923 655436646 /nfs/dbraw/zinc/43/66/46/655436646.db2.gz XLANGJDGKOINJT-INWMFGNUSA-N 1 0 386.323 2.845 20 0 GFADRO O=S(=O)(Cc1cccc(Br)c1)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000575181240 655436959 /nfs/dbraw/zinc/43/69/59/655436959.db2.gz WWNCSWRNLXUINO-GJZGRUSLSA-N 1 0 387.343 2.600 20 0 GFADRO CC[NH+]1CCN([C@@H](C)CNC(=O)/C=C\c2cc(Br)ccc2F)CC1 ZINC000255139789 655437481 /nfs/dbraw/zinc/43/74/81/655437481.db2.gz JFBISKJNZSGMPG-ZBKLQPJUSA-N 1 0 398.320 2.744 20 0 GFADRO NS(=O)(=O)c1ccc(C[NH2+][C@@H](c2ccccc2)[C@@H]2CCOC2)cc1Cl ZINC000575850101 655438424 /nfs/dbraw/zinc/43/84/24/655438424.db2.gz OETVHUSYZWFTBA-QAPCUYQASA-N 1 0 380.897 2.855 20 0 GFADRO O=C(NCCN1CC[NH2+]CC1)N[C@H](c1ccsc1)c1ccc(Cl)cc1 ZINC000575852823 655438438 /nfs/dbraw/zinc/43/84/38/655438438.db2.gz ANALTNAPHRICMB-KRWDZBQOSA-N 1 0 378.929 2.695 20 0 GFADRO COC(=O)c1cc(C[NH2+]C[C@H](O)COc2cccc(Br)c2)oc1C ZINC000575916397 655439977 /nfs/dbraw/zinc/43/99/77/655439977.db2.gz GILDZZVPXFEODS-ZDUSSCGKSA-N 1 0 398.253 2.667 20 0 GFADRO O=C(/C=C\c1ccc(I)o1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000255906388 655440893 /nfs/dbraw/zinc/44/08/93/655440893.db2.gz ORHCXVKDMBYTHT-TXNVCOODSA-N 1 0 386.233 2.594 20 0 GFADRO O=C(CN1CC[NH2+]C[C@@H]1c1cccc(Cl)c1)N1CCc2sccc2C1 ZINC000261613980 655441468 /nfs/dbraw/zinc/44/14/68/655441468.db2.gz BOJKFWTZBDYGAL-QGZVFWFLSA-N 1 0 375.925 2.933 20 0 GFADRO [NH3+][C@@H]1Cc2ccccc2N(CCS(=O)(=O)c2ccc(Br)cc2)C1 ZINC000261640885 655441604 /nfs/dbraw/zinc/44/16/04/655441604.db2.gz DCYNFUIELPKAGZ-OAHLLOKOSA-N 1 0 395.322 2.613 20 0 GFADRO O=C(CCN1CC[NH2+]C[C@H]1c1cccnc1)Nc1cccc(Br)c1 ZINC000261678749 655441864 /nfs/dbraw/zinc/44/18/64/655441864.db2.gz IFJJAWZSPLGMCJ-KRWDZBQOSA-N 1 0 389.297 2.819 20 0 GFADRO CCOC(=O)COc1c(Br)cc(C)cc1CN1CC[C@](C)(C[NH3+])C1 ZINC000261904339 655442834 /nfs/dbraw/zinc/44/28/34/655442834.db2.gz WVEXNUIALIMANJ-GOSISDBHSA-N 1 0 399.329 2.870 20 0 GFADRO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000261987907 655443402 /nfs/dbraw/zinc/44/34/02/655443402.db2.gz MPGGOKNCVJKIQW-KRWDZBQOSA-N 1 0 379.254 2.675 20 0 GFADRO COc1ccc(C(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)c(I)c1 ZINC000576148090 655444382 /nfs/dbraw/zinc/44/43/82/655444382.db2.gz BEAHRHVBNJLOOR-GHMZBOCLSA-N 1 0 388.249 2.547 20 0 GFADRO CN(Cc1c(F)cccc1Cl)S(=O)(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000576338794 655445837 /nfs/dbraw/zinc/44/58/37/655445837.db2.gz IJCKEBTWMXNILK-UHFFFAOYSA-N 1 0 389.924 2.620 20 0 GFADRO CCS(=O)(=O)c1ccc(CC(=O)NC[C@H](c2cccs2)[NH+](C)C)cc1 ZINC000263990851 655455648 /nfs/dbraw/zinc/45/56/48/655455648.db2.gz HSDKRIUZBSEDNH-MRXNPFEDSA-N 1 0 380.535 2.503 20 0 GFADRO CC[C@@H](Cc1ccccc1Br)[NH2+]C[C@H](O)COC1CCOCC1 ZINC000577054629 655456572 /nfs/dbraw/zinc/45/65/72/655456572.db2.gz CIQIQRIAOMDIDP-HOTGVXAUSA-N 1 0 386.330 2.916 20 0 GFADRO [NH3+]Cc1ccc(CNC(=O)N[C@@H](CCO)c2ccccc2Br)cc1 ZINC000577060756 655456900 /nfs/dbraw/zinc/45/69/00/655456900.db2.gz PEZHMVLHPSUXCC-KRWDZBQOSA-N 1 0 392.297 2.831 20 0 GFADRO Cc1nc(NC(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)sc1C(F)(F)F ZINC000577079001 655457260 /nfs/dbraw/zinc/45/72/60/655457260.db2.gz WFTOTVKEORRMKS-NSHDSACASA-N 1 0 378.420 2.656 20 0 GFADRO CSc1nc2ccc(NC(=O)N[C@@H](C)CN3CC[NH+](C)CC3)cc2s1 ZINC000264385181 655462340 /nfs/dbraw/zinc/46/23/40/655462340.db2.gz VNBOPKSSDWUKHA-LBPRGKRZSA-N 1 0 379.555 2.776 20 0 GFADRO CS(=O)(=O)c1cc(NC(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)ccc1Cl ZINC000577590657 655462751 /nfs/dbraw/zinc/46/27/51/655462751.db2.gz QOSOSNZDUHBUSL-OLZOCXBDSA-N 1 0 385.917 2.597 20 0 GFADRO C[NH2+]CCC1CCN(S(=O)(=O)Cc2cccc(Br)c2)CC1 ZINC000577633564 655463408 /nfs/dbraw/zinc/46/34/08/655463408.db2.gz OQGYWEQKCGOSJA-UHFFFAOYSA-N 1 0 375.332 2.600 20 0 GFADRO O=C(NCCc1c[nH]c2ccc(Br)cc12)N1CC[NH+]2CCC1CC2 ZINC000577645089 655463643 /nfs/dbraw/zinc/46/36/43/655463643.db2.gz UJHXRPUKBGNNHU-UHFFFAOYSA-N 1 0 391.313 2.963 20 0 GFADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)[C@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000264436721 655463646 /nfs/dbraw/zinc/46/36/46/655463646.db2.gz BIONYACTEYXWRA-DZKIICNBSA-N 1 0 384.307 2.553 20 0 GFADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000264459786 655464233 /nfs/dbraw/zinc/46/42/33/655464233.db2.gz RLRMYLXBMZNMPG-CYBMUJFWSA-N 1 0 378.929 2.829 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)N[C@@H](C)CC[NH+](C)C ZINC000264477482 655464541 /nfs/dbraw/zinc/46/45/41/655464541.db2.gz WKVVRWQEOAXRJF-GJZGRUSLSA-N 1 0 386.583 2.807 20 0 GFADRO C[C@@H](CNC(=O)c1cnn(-c2ncccc2Cl)c1C(F)(F)F)[NH+](C)C ZINC000264481560 655464700 /nfs/dbraw/zinc/46/47/00/655464700.db2.gz VMIPSIFZPWWATE-VIFPVBQESA-N 1 0 375.782 2.619 20 0 GFADRO O=S1(=O)C[C@H](C[NH2+]Cc2csc(Br)c2)Oc2ccccc21 ZINC000577750783 655466370 /nfs/dbraw/zinc/46/63/70/655466370.db2.gz XPJCMZFWYRMETJ-NSHDSACASA-N 1 0 388.308 2.835 20 0 GFADRO Cc1cc(Cl)cc(NC(=O)C(=O)N2CCC[C@H](C[NH3+])C2)c1Br ZINC000577829398 655467980 /nfs/dbraw/zinc/46/79/80/655467980.db2.gz KTFMQFDSFSHSGT-SNVBAGLBSA-N 1 0 388.693 2.547 20 0 GFADRO Cn1ncc2c1CCC[N@H+](CCC(=O)Nc1cccc(Br)c1)C2 ZINC000577835925 655468081 /nfs/dbraw/zinc/46/80/81/655468081.db2.gz VSZNAVLTNSPJPZ-UHFFFAOYSA-N 1 0 377.286 2.960 20 0 GFADRO CC(C)N(Cc1ccc(Br)cc1)C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000264770797 655469977 /nfs/dbraw/zinc/46/99/77/655469977.db2.gz NLFQTYJRTSGHPI-KRWDZBQOSA-N 1 0 397.361 2.615 20 0 GFADRO Cc1ncc(/C=C/C(=O)N2CC[NH+](CCCOCC(F)(F)F)CC2)s1 ZINC000264774494 655470208 /nfs/dbraw/zinc/47/02/08/655470208.db2.gz NSZDIWPXCZDVBR-ONEGZZNKSA-N 1 0 377.432 2.578 20 0 GFADRO CN(CCCN1CC[NH+](C)CC1)C(=O)c1cc2cc(Br)ccc2[nH]1 ZINC000264773161 655470290 /nfs/dbraw/zinc/47/02/90/655470290.db2.gz PTPPNGYUROSWEV-UHFFFAOYSA-N 1 0 393.329 2.640 20 0 GFADRO C[C@H](Cn1cccn1)[NH2+][C@@H](C)C(=O)N(C)Cc1ccc(Br)cc1 ZINC000264865995 655472458 /nfs/dbraw/zinc/47/24/58/655472458.db2.gz NLGXLIPRHUKNRC-KGLIPLIRSA-N 1 0 379.302 2.671 20 0 GFADRO COCC[NH2+]C1CCN(C(=O)CSc2cccc(Br)c2)CC1 ZINC000578139542 655473426 /nfs/dbraw/zinc/47/34/26/655473426.db2.gz UIZSYHOMAFNEGM-UHFFFAOYSA-N 1 0 387.343 2.768 20 0 GFADRO C[C@@H](NC(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1)c1ncc(Br)cn1 ZINC000578278939 655475725 /nfs/dbraw/zinc/47/57/25/655475725.db2.gz KFVISECHKREZSU-DGCLKSJQSA-N 1 0 382.306 2.616 20 0 GFADRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)Nc1ccc2nccnc2c1Br ZINC000578312601 655476368 /nfs/dbraw/zinc/47/63/68/655476368.db2.gz MRCVODZVWXMQCX-NSHDSACASA-N 1 0 378.274 2.950 20 0 GFADRO C[C@@H](NC(=O)CN1CC[NH+](C2CCC2)CC1)c1ccc(Br)cc1 ZINC000265060511 655476698 /nfs/dbraw/zinc/47/66/98/655476698.db2.gz YSHKCDQXONGSSK-CQSZACIVSA-N 1 0 380.330 2.796 20 0 GFADRO C[C@H](CNC(=O)[C@H](C)Oc1cccc(Cl)c1Cl)C[NH+]1CCN(C)CC1 ZINC000265060223 655476764 /nfs/dbraw/zinc/47/67/64/655476764.db2.gz QOLQFCWLBZYKGU-KGLIPLIRSA-N 1 0 388.339 2.760 20 0 GFADRO CC(C)Sc1c(Cl)cccc1NC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000578380748 655477532 /nfs/dbraw/zinc/47/75/32/655477532.db2.gz GHPXOZWDPAFNQH-YPMHNXCESA-N 1 0 382.917 2.616 20 0 GFADRO Cc1ncc(Br)cc1NC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000578434555 655478812 /nfs/dbraw/zinc/47/88/12/655478812.db2.gz DTBLRUUHIXGYRY-CYBMUJFWSA-N 1 0 397.317 2.775 20 0 GFADRO [NH3+]C1(C(=O)N2CCC(C(=O)Nc3cccc(Br)c3)CC2)CCC1 ZINC000578438807 655478933 /nfs/dbraw/zinc/47/89/33/655478933.db2.gz LGFMOPQSSJWEND-UHFFFAOYSA-N 1 0 380.286 2.508 20 0 GFADRO O[C@@H](C[NH2+]CC1(c2ccc(Cl)cc2Cl)CCOCC1)Cn1cccn1 ZINC000578499154 655480475 /nfs/dbraw/zinc/48/04/75/655480475.db2.gz PYSVRZWZXXAPAD-HNNXBMFYSA-N 1 0 384.307 2.889 20 0 GFADRO C[N@@H+]1CCN(C(=O)C2CCN(C(=O)c3ccc(Cl)s3)CC2)CC1(C)C ZINC000578548086 655481534 /nfs/dbraw/zinc/48/15/34/655481534.db2.gz LETBXCZFHATEIV-UHFFFAOYSA-N 1 0 383.945 2.806 20 0 GFADRO COc1ccc(Br)cc1CN1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000265446291 655483555 /nfs/dbraw/zinc/48/35/55/655483555.db2.gz RQVYQRXZHWVKQS-UHFFFAOYSA-N 1 0 396.373 2.917 20 0 GFADRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)c1ccc(-n2cc(Br)cn2)cc1 ZINC000578755970 655486436 /nfs/dbraw/zinc/48/64/36/655486436.db2.gz QLBLBSYCOFAUJT-MRXNPFEDSA-N 1 0 377.286 2.801 20 0 GFADRO CNC(=O)[C@H]1C[N@H+](Cc2cc(C)c(Br)s2)C[C@@H]1c1cnn(C)c1 ZINC000578782339 655486873 /nfs/dbraw/zinc/48/68/73/655486873.db2.gz YLFGEWRTVOQUDT-KGLIPLIRSA-N 1 0 397.342 2.514 20 0 GFADRO COCC[NH2+]C1CCN(C(=O)NC/C=C\c2ccc(Br)cc2)CC1 ZINC000578898613 655488709 /nfs/dbraw/zinc/48/87/09/655488709.db2.gz BPBRMJSDSJJALO-IHWYPQMZSA-N 1 0 396.329 2.872 20 0 GFADRO COC[C@@H]1CC[N@H+](C[C@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000265757231 655490112 /nfs/dbraw/zinc/49/01/12/655490112.db2.gz GOOJDHXWVCGHQY-YPMHNXCESA-N 1 0 378.694 2.811 20 0 GFADRO COC[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccc(I)cc2)C1 ZINC000265816998 655491231 /nfs/dbraw/zinc/49/12/31/655491231.db2.gz RAIQGMBFICKADB-RYUDHWBXSA-N 1 0 388.249 2.587 20 0 GFADRO COc1ccc(Br)cc1C[NH2+][C@H]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000265833823 655491419 /nfs/dbraw/zinc/49/14/19/655491419.db2.gz DOJCYCJANUCFGX-UONOGXRCSA-N 1 0 376.316 2.903 20 0 GFADRO [NH3+][C@@H]1CN(S(=O)(=O)C[C@H]2CCCC2(F)F)CC[C@H]1c1ccc(F)cc1 ZINC000579006092 655491499 /nfs/dbraw/zinc/49/14/99/655491499.db2.gz LBFSMEZLGRHJIW-VNQPRFMTSA-N 1 0 376.444 2.708 20 0 GFADRO C[C@H]([NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000579067356 655492762 /nfs/dbraw/zinc/49/27/62/655492762.db2.gz WUIJMPKNXSFGHM-NOHGZBONSA-N 1 0 391.331 2.703 20 0 GFADRO NC(=O)[C@@H](c1ccc(Br)cc1F)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000265998620 655494743 /nfs/dbraw/zinc/49/47/43/655494743.db2.gz MZOXMMGWLFSUTG-CZUORRHYSA-N 1 0 384.293 2.675 20 0 GFADRO Cc1csc([C@](O)(CC(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)C(F)(F)F)n1 ZINC000266095865 655496787 /nfs/dbraw/zinc/49/67/87/655496787.db2.gz QMTGOLCRYJKLED-TYNCELHUSA-N 1 0 379.448 2.533 20 0 GFADRO C[C@@H](NC(=O)N1CCC[C@H]1C[NH+]1CCCC1)c1ncc(Br)cn1 ZINC000579324317 655497989 /nfs/dbraw/zinc/49/79/89/655497989.db2.gz PFQUYGOGJNQBGA-OCCSQVGLSA-N 1 0 382.306 2.570 20 0 GFADRO COc1ccccc1S(=O)(=O)NC[C@@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000579481440 655500058 /nfs/dbraw/zinc/50/00/58/655500058.db2.gz GCWNTALJMAMAFY-HNNXBMFYSA-N 1 0 382.913 2.972 20 0 GFADRO CN(C)CC[N@H+](C)CCCN(C)S(=O)(=O)c1cc(Cl)sc1Cl ZINC000579518153 655500762 /nfs/dbraw/zinc/50/07/62/655500762.db2.gz BMHUFTLDMXBRSV-UHFFFAOYSA-N 1 0 388.386 2.559 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S(=O)(=O)CC[NH2+][C@H](C)C(C)(C)C ZINC000579838968 655504630 /nfs/dbraw/zinc/50/46/30/655504630.db2.gz GRQWUSVDVOCQOZ-CQSZACIVSA-N 1 0 375.556 2.668 20 0 GFADRO [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)c1csc(I)c1 ZINC000579950869 655506098 /nfs/dbraw/zinc/50/60/98/655506098.db2.gz ZHHGROASKYGTRE-PDUMLCJASA-N 1 0 376.263 2.598 20 0 GFADRO Cc1ccc(CN(CC[NH+](C)C)S(=O)(=O)c2nc3ccccc3s2)o1 ZINC000580068422 655507716 /nfs/dbraw/zinc/50/77/16/655507716.db2.gz HLDPFQWCFYVQHI-UHFFFAOYSA-N 1 0 379.507 2.950 20 0 GFADRO [NH3+]C[C@H]1CC[C@H](CNS(=O)(=O)c2cc(F)ccc2Br)CC1 ZINC000580073525 655507945 /nfs/dbraw/zinc/50/79/45/655507945.db2.gz MLPVCPXLTCQMDO-XYPYZODXSA-N 1 0 379.295 2.632 20 0 GFADRO CC[NH+]1CCC(CNS(=O)(=O)c2cccc(OC(F)(F)F)c2F)CC1 ZINC000580145285 655508998 /nfs/dbraw/zinc/50/89/98/655508998.db2.gz OBNPYXCHWBCCMC-UHFFFAOYSA-N 1 0 384.395 2.735 20 0 GFADRO Cc1cc(F)c(Br)cc1S(=O)(=O)NCC[N@H+]1CC[C@@H](C)C1 ZINC000580385104 655511895 /nfs/dbraw/zinc/51/18/95/655511895.db2.gz BCIRRPHEAMGBTI-SNVBAGLBSA-N 1 0 379.295 2.517 20 0 GFADRO O=C(c1ccc(I)c(Cl)c1)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000702293173 655521665 /nfs/dbraw/zinc/52/16/65/655521665.db2.gz URPHDAJINXTDEN-LLVKDONJSA-N 1 0 390.652 2.865 20 0 GFADRO Fc1ncnc(N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)c1Br ZINC000705628306 655522136 /nfs/dbraw/zinc/52/21/36/655522136.db2.gz NMWVIAAVTLCMSI-OKILXGFUSA-N 1 0 377.261 2.946 20 0 GFADRO COc1ccc(NC(=S)NC[C@@H](C(C)C)[NH+]2CCN(C)CC2)cc1Cl ZINC000726899870 655539665 /nfs/dbraw/zinc/53/96/65/655539665.db2.gz UDWAWXXMUDYJCH-INIZCTEOSA-N 1 0 384.977 2.907 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CNC(=S)NNC(=S)Nc1ccccc1C(C)C ZINC000727089593 655541892 /nfs/dbraw/zinc/54/18/92/655541892.db2.gz UGSJIFMCGVOLRB-AWEZNQCLSA-N 1 0 379.599 2.960 20 0 GFADRO CC[NH+](CC)[C@@H](CNC(=S)NCC(=O)NC(C)C)c1ccccc1Cl ZINC000727271530 655543772 /nfs/dbraw/zinc/54/37/72/655543772.db2.gz CJVDHIWJZOQSOI-INIZCTEOSA-N 1 0 384.977 2.712 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CNC(=S)NNc1ccc(OCC(F)(F)F)cc1 ZINC000727289585 655544157 /nfs/dbraw/zinc/54/41/57/655544157.db2.gz DSLFBCYJJVFYGF-ZDUSSCGKSA-N 1 0 376.448 2.903 20 0 GFADRO COCC[N@@H+]1CCC[C@H]1CNC(=S)NCc1cccc(C(F)(F)F)c1 ZINC000727703208 655548770 /nfs/dbraw/zinc/54/87/70/655548770.db2.gz NHLQCTFZELEVAJ-HNNXBMFYSA-N 1 0 375.460 2.780 20 0 GFADRO CN1CCN(c2cc[nH+]cc2NC(=O)c2cc(F)c(Cl)nc2Cl)CC1 ZINC000728816966 655559245 /nfs/dbraw/zinc/55/92/45/655559245.db2.gz XOCNKQGYJLHSPH-UHFFFAOYSA-N 1 0 384.242 2.927 20 0 GFADRO O[C@H](CN1CCC[N@H+](C[C@@H]2CCCO2)CC1)c1ccc(Br)cc1 ZINC000729031864 655561210 /nfs/dbraw/zinc/56/12/10/655561210.db2.gz RYSWHDWDKTYGLM-ZWKOTPCHSA-N 1 0 383.330 2.669 20 0 GFADRO C[C@H](Cc1ccc(Br)cc1)NC(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000729497283 655565275 /nfs/dbraw/zinc/56/52/75/655565275.db2.gz QDBUYXRBSJNNQG-XYPHTWIQSA-N 1 0 396.329 2.543 20 0 GFADRO Cc1cc(Br)cc(C)c1CNC(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000729500374 655565483 /nfs/dbraw/zinc/56/54/83/655565483.db2.gz XMEXATHPHZLQNB-HOTGVXAUSA-N 1 0 396.329 2.728 20 0 GFADRO CN(Cc1cc(Br)cs1)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000729503381 655565560 /nfs/dbraw/zinc/56/55/60/655565560.db2.gz DSJGDDQQLGVXBV-QWHCGFSZSA-N 1 0 388.331 2.515 20 0 GFADRO O=C(Cc1ccccc1Br)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000729626420 655566198 /nfs/dbraw/zinc/56/61/98/655566198.db2.gz YTLWDPSFFQOVSI-MRXNPFEDSA-N 1 0 381.314 2.751 20 0 GFADRO Brc1ccc2c(c1)C=C(CNC[C@@H]1C[N@@H+]3CCC[C@H]3CO1)CO2 ZINC000729683075 655566676 /nfs/dbraw/zinc/56/66/76/655566676.db2.gz BBZSDSPWDLEKIA-DLBZAZTESA-N 1 0 379.298 2.678 20 0 GFADRO O=C(CCc1nc2cc(Cl)ccc2s1)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000730539786 655576245 /nfs/dbraw/zinc/57/62/45/655576245.db2.gz SHJFTDBEEVDJGR-UONOGXRCSA-N 1 0 379.913 2.862 20 0 GFADRO Cc1cnc2c(cccc2S(=O)(=O)N2CC[NH+](C[Si](C)(C)C)CC2)c1 ZINC000731211747 655582463 /nfs/dbraw/zinc/58/24/63/655582463.db2.gz YZNIGXBCQZXEIC-UHFFFAOYSA-N 1 0 377.586 2.727 20 0 GFADRO CO[C@H](CNC(=O)NCC1([NH+]2CCSCC2)CCCCC1)C(F)(F)F ZINC000733650248 655618928 /nfs/dbraw/zinc/61/89/28/655618928.db2.gz LKSDPQOVNUCVIK-CYBMUJFWSA-N 1 0 383.480 2.615 20 0 GFADRO COC[C@H](C)NC(=S)N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000733903951 655623326 /nfs/dbraw/zinc/62/33/26/655623326.db2.gz IGYCFVWHVYWIMH-SWLSCSKDSA-N 1 0 375.460 2.779 20 0 GFADRO C[NH+](C)CCCNC(=S)NCCCc1ccc(Br)cc1F ZINC000734767674 655634519 /nfs/dbraw/zinc/63/45/19/655634519.db2.gz AWYMATGVBIWXJV-UHFFFAOYSA-N 1 0 376.339 2.937 20 0 GFADRO Cc1cc(S(=O)(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)cnc1Cl ZINC000735315449 655644715 /nfs/dbraw/zinc/64/47/15/655644715.db2.gz OLMSIAXMXKLTJO-INIZCTEOSA-N 1 0 379.913 2.986 20 0 GFADRO C[C@@H](CN1CCN(c2ccccn2)CC1)[NH2+]Cc1occc1Br ZINC000735508916 655648483 /nfs/dbraw/zinc/64/84/83/655648483.db2.gz QQNAQXRSUWFDQP-AWEZNQCLSA-N 1 0 379.302 2.737 20 0 GFADRO Cn1nnc(Br)c1C(=O)OCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000840575218 661171387 /nfs/dbraw/zinc/17/13/87/661171387.db2.gz OBPSIYSMAZDWRB-UHFFFAOYSA-N 1 0 393.285 2.921 20 0 GFADRO C[C@H]1CCCCC[N@@H+]1CN1C(=O)C(=O)N(c2ccc(Br)cc2)C1=O ZINC000738226669 655687638 /nfs/dbraw/zinc/68/76/38/655687638.db2.gz NAXHVEDMGZISBM-LBPRGKRZSA-N 1 0 394.269 2.966 20 0 GFADRO CC[NH+](CC)[C@@H](CNS(=O)(=O)c1cccnc1Cl)Cc1ccccc1 ZINC000738354931 655689526 /nfs/dbraw/zinc/68/95/26/655689526.db2.gz JWENFKUZCNJEKY-MRXNPFEDSA-N 1 0 381.929 2.966 20 0 GFADRO Cc1ccccc1C[NH+]1CCC(NS(=O)(=O)c2cccnc2Cl)CC1 ZINC000738355047 655689565 /nfs/dbraw/zinc/68/95/65/655689565.db2.gz WGJKXYAWJQEKOV-UHFFFAOYSA-N 1 0 379.913 2.986 20 0 GFADRO O=S(=O)(c1c(Cl)nc2sccn21)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000738407090 655690829 /nfs/dbraw/zinc/69/08/29/655690829.db2.gz HQVHIPBQTMGJBO-LBPRGKRZSA-N 1 0 388.946 2.688 20 0 GFADRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2cc(C(=O)OC)ccc2Cl)C[C@@H]1C ZINC000740893883 655700537 /nfs/dbraw/zinc/70/05/37/655700537.db2.gz FMJUEKVANTUSFZ-JSGCOSHPSA-N 1 0 388.917 2.620 20 0 GFADRO COc1c(Br)cc(Cl)cc1S(=O)(=O)N[C@@H](C)CC[NH+](C)C ZINC000741754982 655707862 /nfs/dbraw/zinc/70/78/62/655707862.db2.gz CICBVAPHUYSXFZ-VIFPVBQESA-N 1 0 399.738 2.730 20 0 GFADRO Ic1cnn(C[N@H+](C[C@@H]2CCCO2)C2CCCC2)c1 ZINC000742166548 655710792 /nfs/dbraw/zinc/71/07/92/655710792.db2.gz XESWQBQIUQYXLE-AWEZNQCLSA-N 1 0 375.254 2.869 20 0 GFADRO C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N1CCC12CC[NH+](C)CC2 ZINC000742184049 655711453 /nfs/dbraw/zinc/71/14/53/655711453.db2.gz NKCZJQBTUGJKNJ-LBPRGKRZSA-N 1 0 384.307 2.808 20 0 GFADRO CC(C)(C)OC(=O)N1CCC(CC[NH2+]C(C)(C)CCS(C)(=O)=O)CC1 ZINC000742388271 655717625 /nfs/dbraw/zinc/71/76/25/655717625.db2.gz QUDMPLSYAQTGOE-UHFFFAOYSA-N 1 0 376.563 2.827 20 0 GFADRO O=C1c2ccccc2C(=O)N1CC[NH2+]Cc1ccc(Br)cc1F ZINC000742691810 655720371 /nfs/dbraw/zinc/72/03/71/655720371.db2.gz IUCPHFGEOSLNEL-UHFFFAOYSA-N 1 0 377.213 2.974 20 0 GFADRO CC(C)[NH+]1CCC(NC(=O)COC(=O)Cc2ccccc2Br)CC1 ZINC000744959322 655747232 /nfs/dbraw/zinc/74/72/32/655747232.db2.gz HYQVMPWRLLTIQU-UHFFFAOYSA-N 1 0 397.313 2.524 20 0 GFADRO Cc1c(Br)cccc1C(=O)OCC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000745518226 655752505 /nfs/dbraw/zinc/75/25/05/655752505.db2.gz IATXXKYBQBUMGJ-UHFFFAOYSA-N 1 0 397.313 2.903 20 0 GFADRO CC(C)Oc1cc(Br)cc(C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c1 ZINC000746595474 655764361 /nfs/dbraw/zinc/76/43/61/655764361.db2.gz PLEMNWVMRDDLGU-WBVHZDCISA-N 1 0 397.313 2.829 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2Cn1ncc2c1cccc2Br ZINC000746654480 655765468 /nfs/dbraw/zinc/76/54/68/655765468.db2.gz YMVLCOGFFXUHBB-BVGQSLNGSA-N 1 0 393.329 2.940 20 0 GFADRO Cc1csc([C@](O)(CC(=O)NC[C@@H](C)[NH+]2CCCCC2)C(F)(F)F)n1 ZINC000746832318 655767729 /nfs/dbraw/zinc/76/77/29/655767729.db2.gz CINYUTXVXHHBFC-IUODEOHRSA-N 1 0 379.448 2.582 20 0 GFADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2C(=O)/C=C/c1ccc(Br)o1 ZINC000747146253 655772994 /nfs/dbraw/zinc/77/29/94/655772994.db2.gz MWCCTXSJXNEOAM-KCXGPJGUSA-N 1 0 383.286 2.765 20 0 GFADRO C[NH+](C)CCn1cc(NC(=O)/C=C\c2cc(Br)ccc2F)cn1 ZINC000747226853 655774268 /nfs/dbraw/zinc/77/42/68/655774268.db2.gz ZZVONHZHCCEYOZ-UTCJRWHESA-N 1 0 381.249 2.998 20 0 GFADRO CC(C)Oc1cc(Br)ccc1C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000747229598 655774362 /nfs/dbraw/zinc/77/43/62/655774362.db2.gz LDLRICBOYVPWPL-CABCVRRESA-N 1 0 397.313 2.829 20 0 GFADRO CC(C)Oc1cc(Br)ccc1C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000747229599 655774381 /nfs/dbraw/zinc/77/43/81/655774381.db2.gz LDLRICBOYVPWPL-HUUCEWRRSA-N 1 0 397.313 2.829 20 0 GFADRO O=S(=O)(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000747328892 655777060 /nfs/dbraw/zinc/77/70/60/655777060.db2.gz QKYDRSCYUDIVSG-GHMZBOCLSA-N 1 0 398.834 2.500 20 0 GFADRO S=C(NCc1ccc(Br)cc1)N1CC[NH+](C2CCOCC2)CC1 ZINC000747669672 655781690 /nfs/dbraw/zinc/78/16/90/655781690.db2.gz NTWVZFCOIVPLLB-UHFFFAOYSA-N 1 0 398.370 2.620 20 0 GFADRO C[C@@H](CNC(=O)c1cc(Br)c2c(c1)OCCO2)[NH+]1CCCCC1 ZINC000748714315 655794328 /nfs/dbraw/zinc/79/43/28/655794328.db2.gz JNMLGQITAFFMMS-LBPRGKRZSA-N 1 0 383.286 2.825 20 0 GFADRO CCc1c(Cl)nc(CS(C)(=O)=O)nc1NC1CC[NH+](C(C)(C)C)CC1 ZINC000749096743 655800014 /nfs/dbraw/zinc/80/00/14/655800014.db2.gz PULIBTMJSFAHNV-UHFFFAOYSA-N 1 0 388.965 2.912 20 0 GFADRO C[C@H]([NH2+]CC(C)(C)[C@H]1COCC12OCCO2)c1ccc(Br)nc1 ZINC000840795224 661189111 /nfs/dbraw/zinc/18/91/11/661189111.db2.gz FEGGHBVBTIEKRK-GXTWGEPZSA-N 1 0 385.302 2.910 20 0 GFADRO O[C@H](CN1CCC[N@H+](C[C@H]2CCCO2)CC1)c1ccccc1Br ZINC000751959250 655836750 /nfs/dbraw/zinc/83/67/50/655836750.db2.gz ULYNTHLSAROIAZ-CRAIPNDOSA-N 1 0 383.330 2.669 20 0 GFADRO C[NH+]1CCC(N(Cc2ccccc2Br)C(=O)c2ncccn2)CC1 ZINC000753030808 655849589 /nfs/dbraw/zinc/84/95/89/655849589.db2.gz WROANAXGFHTGHS-UHFFFAOYSA-N 1 0 389.297 2.976 20 0 GFADRO Cn1ncc(C(=O)N(CCCc2ccccc2)CC[NH+](C)C)c1Br ZINC000753805549 655859036 /nfs/dbraw/zinc/85/90/36/655859036.db2.gz MHGUDAAWMJLCCK-UHFFFAOYSA-N 1 0 393.329 2.819 20 0 GFADRO Cc1ccsc1-c1nnc(NC(=O)C[NH2+][C@@H](CCO)c2cccs2)o1 ZINC000754386674 655867148 /nfs/dbraw/zinc/86/71/48/655867148.db2.gz STLCZSBXDQOHCD-NSHDSACASA-N 1 0 378.479 2.820 20 0 GFADRO COC(=O)C[C@@H]([NH2+]CC(=O)N[C@@H](C)c1ccc(Br)cc1)C1CC1 ZINC000754518717 655869096 /nfs/dbraw/zinc/86/90/96/655869096.db2.gz NENOJGDEJRIASQ-XHDPSFHLSA-N 1 0 383.286 2.558 20 0 GFADRO Cc1ccc([C@H](C)[NH2+]CC(=O)N2CCN(C(=O)c3cccs3)CC2)s1 ZINC000754672819 655871111 /nfs/dbraw/zinc/87/11/11/655871111.db2.gz HVSUWSUKJJXDBA-AWEZNQCLSA-N 1 0 377.535 2.753 20 0 GFADRO CCN(C(=O)C[NH2+][C@H](C)c1csc2ccccc21)[C@H]1CCS(=O)(=O)C1 ZINC000754740849 655872310 /nfs/dbraw/zinc/87/23/10/655872310.db2.gz ULVOCLASYCKWAB-KGLIPLIRSA-N 1 0 380.535 2.588 20 0 GFADRO CC(C)(C)OC(=O)NC[C@H]1CCCC[C@@H]1[NH2+]CCC(C)(C)S(C)(=O)=O ZINC000840876117 661197564 /nfs/dbraw/zinc/19/75/64/661197564.db2.gz LBFCNFOCBWFOKF-CABCVRRESA-N 1 0 376.563 2.873 20 0 GFADRO CC[C@H]1CC[N@H+](CN2C(=O)N[C@](C)(c3ccc(Br)cc3)C2=O)C1 ZINC000755926814 655891380 /nfs/dbraw/zinc/89/13/80/655891380.db2.gz XTZIUUFTQXYVCS-YVEFUNNKSA-N 1 0 380.286 2.906 20 0 GFADRO Cc1ccc(I)c(C(=O)N2CCC23CC[NH+](C)CC3)c1 ZINC000757511191 655912834 /nfs/dbraw/zinc/91/28/34/655912834.db2.gz MLZFBZKPUCMTSP-UHFFFAOYSA-N 1 0 384.261 2.910 20 0 GFADRO C[NH+](C)CCCNC(=S)Nc1cnc(Br)c(Br)c1 ZINC000757539254 655913129 /nfs/dbraw/zinc/91/31/29/655913129.db2.gz AULQQPDBVRUGOM-UHFFFAOYSA-N 1 0 396.152 2.845 20 0 GFADRO Cc1cc(S(=O)(=O)N[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)cnc1Cl ZINC000757940980 655919287 /nfs/dbraw/zinc/91/92/87/655919287.db2.gz YBQCWOHHAKOFDS-ZBFHGGJFSA-N 1 0 379.913 2.985 20 0 GFADRO CCc1c(Cl)nc(CS(C)(=O)=O)nc1NCC1(C[NH+](C)C)CCCC1 ZINC000758965544 655944299 /nfs/dbraw/zinc/94/42/99/655944299.db2.gz RDSMRVLMILIWMN-UHFFFAOYSA-N 1 0 388.965 2.771 20 0 GFADRO C[NH+](C)CC1(CNS(=O)(=O)c2ccc3nc(Cl)cnc3c2)CCCC1 ZINC000759134230 655948586 /nfs/dbraw/zinc/94/85/86/655948586.db2.gz ANRCFHYEOZWCLW-UHFFFAOYSA-N 1 0 382.917 2.684 20 0 GFADRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)c2cnn(C)c2Br)C1 ZINC000760277075 655974269 /nfs/dbraw/zinc/97/42/69/655974269.db2.gz XIFRYYVRPZNQOQ-UONOGXRCSA-N 1 0 383.334 2.909 20 0 GFADRO CSCc1nn(CN2CCC([NH+]3CCN(C(C)C)CC3)CC2)c(=S)o1 ZINC000760286513 655974438 /nfs/dbraw/zinc/97/44/38/655974438.db2.gz SJSNYWQZZRHNCL-UHFFFAOYSA-N 1 0 385.603 2.516 20 0 GFADRO COC(=O)COc1ccc(NC(=S)NCC2CC[NH+](C)CC2)cc1Cl ZINC000760498617 655982785 /nfs/dbraw/zinc/98/27/85/655982785.db2.gz IKDUQEYXSUZXAJ-UHFFFAOYSA-N 1 0 385.917 2.520 20 0 GFADRO CC[C@H](C)[N@H+](C)CCN1C(=O)N[C@](C)(c2cccc(Br)c2)C1=O ZINC000761208090 656003354 /nfs/dbraw/zinc/00/33/54/656003354.db2.gz WCOJHTPVUFEBGA-YVEFUNNKSA-N 1 0 382.302 2.946 20 0 GFADRO COc1ccc([C@@H]2NC(=O)N([C@H]3CC[N@H+](C)[C@@H](C)C3)C2=O)cc1Br ZINC000761280640 656007237 /nfs/dbraw/zinc/00/72/37/656007237.db2.gz MYIBRMVYQDBVHZ-WBIUFABUSA-N 1 0 396.285 2.533 20 0 GFADRO C[NH+](C)CC(C)(C)CNC(=S)NCCOc1ncc(Cl)cc1Cl ZINC000761825634 656022063 /nfs/dbraw/zinc/02/20/63/656022063.db2.gz UEEVHUIQQAOQND-UHFFFAOYSA-N 1 0 379.357 2.819 20 0 GFADRO Cc1ccc(Br)c(NC(=O)C(=O)NC[C@H](C)[NH+]2CCCCC2)c1 ZINC000761894462 656023896 /nfs/dbraw/zinc/02/38/96/656023896.db2.gz FMGGJUPUKRLHTA-ZDUSSCGKSA-N 1 0 382.302 2.687 20 0 GFADRO C[C@@H]1C[N@H+](CCCNC(=O)c2sc(N3CCCC3)nc2Cl)CCCO1 ZINC000762614490 656051273 /nfs/dbraw/zinc/05/12/73/656051273.db2.gz QECNPDSGTIXJQR-CYBMUJFWSA-N 1 0 386.949 2.627 20 0 GFADRO C[C@H]([NH2+][C@@H]1CCC[C@H](S(C)(=O)=O)C1)c1cc(Br)ncc1F ZINC000762762642 656058374 /nfs/dbraw/zinc/05/83/74/656058374.db2.gz MKTKCBOJSDMDHJ-AXFHLTTASA-N 1 0 379.295 2.990 20 0 GFADRO Fc1cc2ncnc(NC[C@@H]3C[N@@H+]4CCC[C@H]4CO3)c2cc1Br ZINC000762793624 656058958 /nfs/dbraw/zinc/05/89/58/656058958.db2.gz ITWIWYJQVUSVSY-WDEREUQCSA-N 1 0 381.249 2.807 20 0 GFADRO CCCSc1nsc(NC(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)n1 ZINC000762951012 656066352 /nfs/dbraw/zinc/06/63/52/656066352.db2.gz GMWJARRFGSRHKX-ZDUSSCGKSA-N 1 0 385.559 2.805 20 0 GFADRO C[NH+](C)C1(C(=O)NCc2nnc3c(Cl)cc(C(F)(F)F)cn23)CCC1 ZINC000763026695 656069059 /nfs/dbraw/zinc/06/90/59/656069059.db2.gz ZDOSWGPDOXFKJP-UHFFFAOYSA-N 1 0 375.782 2.502 20 0 GFADRO CCCS(=O)(=O)N1CCC([NH2+]Cc2nc3ccc(Cl)cc3n2C)CC1 ZINC000763444849 656083423 /nfs/dbraw/zinc/08/34/23/656083423.db2.gz DLDBRZJGANJZDO-UHFFFAOYSA-N 1 0 384.933 2.521 20 0 GFADRO OC[C@@H](C[C@H](O)c1ccccc1)[NH2+]Cc1cc(Br)cc2c1OCC2 ZINC000764978165 656124885 /nfs/dbraw/zinc/12/48/85/656124885.db2.gz RARSIBYWAOXUKQ-MSOLQXFVSA-N 1 0 392.293 2.958 20 0 GFADRO C[C@H]([NH3+])C1CCN(C(=O)Nc2cc3c(cc2Br)OCCO3)CC1 ZINC000841014570 661227200 /nfs/dbraw/zinc/22/72/00/661227200.db2.gz GQHLRDBIDVCPNL-JTQLQIEISA-N 1 0 384.274 2.811 20 0 GFADRO C[C@H]1CCCN(C(=O)Nc2cc3c(cc2Br)OCCO3)[C@@H]1C[NH3+] ZINC000841014673 661227223 /nfs/dbraw/zinc/22/72/23/661227223.db2.gz HUUOSEXEYSXQDA-GXFFZTMASA-N 1 0 384.274 2.811 20 0 GFADRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)[C@H](O)c2cc(Cl)cc(Cl)c2)C1 ZINC000765133694 656133241 /nfs/dbraw/zinc/13/32/41/656133241.db2.gz UYGJRRCDWJNXQR-IAGOWNOFSA-N 1 0 389.323 2.986 20 0 GFADRO C[C@@H]([NH2+][C@H]1CCN(CC(F)(F)F)C1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000765506255 656144304 /nfs/dbraw/zinc/14/43/04/656144304.db2.gz ZJOKXCJSOFSHHW-PWSUYJOCSA-N 1 0 386.386 2.970 20 0 GFADRO CS[C@@H]1CC[C@@H]([NH2+][C@H](C)c2cccc(S(=O)(=O)N3CCOCC3)c2)C1 ZINC000766227549 656165666 /nfs/dbraw/zinc/16/56/66/656165666.db2.gz YFRQPFDETHXHQC-DJIMGWMZSA-N 1 0 384.567 2.642 20 0 GFADRO CC[NH2+]Cc1ccccc1NC(=O)C(=O)N1CCC(C)=C(Br)C1 ZINC000841123392 661235233 /nfs/dbraw/zinc/23/52/33/661235233.db2.gz SNPJAKLQQHSPIE-UHFFFAOYSA-N 1 0 380.286 2.636 20 0 GFADRO O=C(c1cccc(Br)n1)N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000767186236 656195864 /nfs/dbraw/zinc/19/58/64/656195864.db2.gz JMTFLTYSSNYNSK-CQSZACIVSA-N 1 0 382.302 2.561 20 0 GFADRO O[C@@H]1CCC[C@H]1[NH+]1CCC(NC(=S)NCCSc2ccccc2)CC1 ZINC000767690405 656214087 /nfs/dbraw/zinc/21/40/87/656214087.db2.gz QTRGKVRVOIBEMA-QZTJIDSGSA-N 1 0 379.595 2.621 20 0 GFADRO Cc1cc(NC(=O)C(=O)N(C)C2CCC([NH3+])CC2)cc(C)c1Br ZINC000841188852 661242776 /nfs/dbraw/zinc/24/27/76/661242776.db2.gz KHUZGRPLMBGRNE-UHFFFAOYSA-N 1 0 382.302 2.733 20 0 GFADRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)Nc1cccc(Cl)c1SC(F)F ZINC000841201693 661244023 /nfs/dbraw/zinc/24/40/23/661244023.db2.gz USGYTVYBBYJXED-BDAKNGLRSA-N 1 0 377.844 2.789 20 0 GFADRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)Nc1cccc(Cl)c1SC(F)F ZINC000841216207 661244891 /nfs/dbraw/zinc/24/48/91/661244891.db2.gz FPPLOLGSUHGPFA-KCJUWKMLSA-N 1 0 377.844 2.707 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(S(=O)(=O)c2cnc(Cl)n2C)CC1 ZINC000769443057 656276967 /nfs/dbraw/zinc/27/69/67/656276967.db2.gz YBOIPAJAKJWTLM-CQSZACIVSA-N 1 0 388.965 2.739 20 0 GFADRO Cn1nc(C(F)(F)F)c(C[NH2+][C@H]2CCCC[C@@H]2N2CCOCC2)c1Cl ZINC000769801287 656292380 /nfs/dbraw/zinc/29/23/80/656292380.db2.gz OEUBYQBSMZRIOY-STQMWFEESA-N 1 0 380.842 2.825 20 0 GFADRO Cc1c(Br)nccc1NC(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000841250839 661249044 /nfs/dbraw/zinc/24/90/44/661249044.db2.gz IZAMEZFIBLTPIK-OCCSQVGLSA-N 1 0 383.290 2.513 20 0 GFADRO COC(=O)C[C@@]1([NH2+]CC(=O)Nc2ccc(Cl)cc2Cl)CCCOC1 ZINC000770701716 656327294 /nfs/dbraw/zinc/32/72/94/656327294.db2.gz RXRJNXVMPZKPML-INIZCTEOSA-N 1 0 375.252 2.634 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CNC(=S)Nc1ccc(OCC(=O)OC)c(Cl)c1 ZINC000771114716 656340426 /nfs/dbraw/zinc/34/04/26/656340426.db2.gz RRZFUJCYFRUAGR-ZDUSSCGKSA-N 1 0 385.917 2.663 20 0 GFADRO Cc1cc(S(=O)(=O)NCC[NH2+]Cc2cnc3ccccc3c2)c(C)s1 ZINC000771976307 656368918 /nfs/dbraw/zinc/36/89/18/656368918.db2.gz BCFLMGMPWIMBBB-UHFFFAOYSA-N 1 0 375.519 2.981 20 0 GFADRO CS[C@@H]1CN(C(=O)C[C@H](O)c2cc(Cl)cc(Cl)c2)C[C@@H]1[NH+](C)C ZINC000772847313 656391665 /nfs/dbraw/zinc/39/16/65/656391665.db2.gz RQMUTFYFZXBDDB-SOUVJXGZSA-N 1 0 377.337 2.921 20 0 GFADRO O=c1oc2cc(Br)c(F)cc2n1CN1CC[C@H]([NH+]2CCCC2)C1 ZINC000773300672 656409016 /nfs/dbraw/zinc/40/90/16/656409016.db2.gz MDJQFXILZYIFTC-NSHDSACASA-N 1 0 384.249 2.624 20 0 GFADRO O=c1oc2cc(Br)c(F)cc2n1CN1CC[C@H](C[NH+]2CCCC2)C1 ZINC000773304249 656409680 /nfs/dbraw/zinc/40/96/80/656409680.db2.gz ZKACQLMYWIJPIV-GFCCVEGCSA-N 1 0 398.276 2.871 20 0 GFADRO Cc1ccsc1CC[NH2+]Cc1c(C)nn([C@H]2CCS(=O)(=O)C2)c1Cl ZINC000773407766 656444657 /nfs/dbraw/zinc/44/46/57/656444657.db2.gz CQUQEEZVTMNJAL-ZDUSSCGKSA-N 1 0 387.958 2.907 20 0 GFADRO C[C@@H]([NH2+][C@@H](C)c1cccc(S(N)(=O)=O)c1)[C@H](O)c1c(F)cccc1Cl ZINC000774460259 656529474 /nfs/dbraw/zinc/52/94/74/656529474.db2.gz NFOAVANFMLFYJK-RVPKQNPDSA-N 1 0 386.876 2.899 20 0 GFADRO CC(C)(C)OC(=O)[C@H]1CCCN1CCOC(=O)C[C@@H]1CSCCS1 ZINC000774763960 656553587 /nfs/dbraw/zinc/55/35/87/656553587.db2.gz RNENYEBHQHIQPC-ZIAGYGMSSA-N 1 0 375.556 2.574 20 0 GFADRO Cc1cc(Br)cc(C[NH2+][C@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)c1 ZINC000775003595 656584463 /nfs/dbraw/zinc/58/44/63/656584463.db2.gz XHIZKKJXIXQHEV-WBMJQRKESA-N 1 0 377.286 2.775 20 0 GFADRO COC(=O)N1CCC[C@H]([C@H](C)[NH2+]C[C@@H](O)c2cccc(Br)c2)C1 ZINC000775813400 656682207 /nfs/dbraw/zinc/68/22/07/656682207.db2.gz RPOHDXLEKHNJQQ-DUVNUKRYSA-N 1 0 385.302 2.939 20 0 GFADRO Cc1cnc(Br)cc1NC(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000776049110 656708059 /nfs/dbraw/zinc/70/80/59/656708059.db2.gz LHILQKCPNWFBSC-CHWSQXEVSA-N 1 0 385.306 2.773 20 0 GFADRO COC(=O)C1=C(C)O[C@@H](C[N@H+](C)[C@@H](CO)c2cccc(Br)c2)C1 ZINC000778223617 656870594 /nfs/dbraw/zinc/87/05/94/656870594.db2.gz MBPCXZLEMFMXHR-ZBFHGGJFSA-N 1 0 384.270 2.650 20 0 GFADRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)c1cc(Br)ncc1Cl ZINC000779769187 656941744 /nfs/dbraw/zinc/94/17/44/656941744.db2.gz ZGMRORCKJNFBLN-LLVKDONJSA-N 1 0 390.709 2.680 20 0 GFADRO CC[N@H+](CCNS(=O)(=O)c1c(OC)ccc2nc(Cl)ccc21)C(C)C ZINC000780856193 657033493 /nfs/dbraw/zinc/03/34/93/657033493.db2.gz NCMSIZKDNHNDMC-UHFFFAOYSA-N 1 0 385.917 2.905 20 0 GFADRO O=c1c(Br)nn(C[N@H+]2CCC[C@@H](OC(F)F)C2)c2ccccc12 ZINC000781152580 657044902 /nfs/dbraw/zinc/04/49/02/657044902.db2.gz PONSVVKKIZTTRO-SNVBAGLBSA-N 1 0 388.212 2.820 20 0 GFADRO CC[N@H+](CCCC(=O)Nc1c(C)cc(Br)cc1C)CC(=O)NC ZINC000782038409 657096591 /nfs/dbraw/zinc/09/65/91/657096591.db2.gz CGVAJQWUPFKZQJ-UHFFFAOYSA-N 1 0 384.318 2.853 20 0 GFADRO CC[NH+](CC)CCCC1CCN(S(=O)(=O)c2cn(C)c(Cl)n2)CC1 ZINC000782486600 657149993 /nfs/dbraw/zinc/14/99/93/657149993.db2.gz PVLZFQKPGBCUOW-UHFFFAOYSA-N 1 0 376.954 2.596 20 0 GFADRO CCOC(=O)c1nn(CN2C[C@H]([NH+](C)C)Cc3ccccc32)c(=S)s1 ZINC000782832442 657183446 /nfs/dbraw/zinc/18/34/46/657183446.db2.gz ITXNAMDXDHEHQY-CYBMUJFWSA-N 1 0 378.523 2.801 20 0 GFADRO Cc1cc(Br)ncc1NC(=O)C(=O)Nc1ccc(C[NH+](C)C)cc1 ZINC000783030422 657201309 /nfs/dbraw/zinc/20/13/09/657201309.db2.gz ZTXAQFJQTQMWGL-UHFFFAOYSA-N 1 0 391.269 2.791 20 0 GFADRO O=C(Nc1nc(Br)ccc1O)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000783909261 657271743 /nfs/dbraw/zinc/27/17/43/657271743.db2.gz ASCJUOPXULOJLT-ZDUSSCGKSA-N 1 0 391.269 2.795 20 0 GFADRO C[C@H]1CCC[N@@H+]1CCNC(=O)c1ccc(-n2cc(Br)cn2)cc1 ZINC000783920755 657274217 /nfs/dbraw/zinc/27/42/17/657274217.db2.gz OJTGHWXLTKRAEX-ZDUSSCGKSA-N 1 0 377.286 2.849 20 0 GFADRO NC(=O)[C@@H](Cc1ccc(F)cc1)[NH2+]CCc1ccc(Br)cc1F ZINC000784066089 657286112 /nfs/dbraw/zinc/28/61/12/657286112.db2.gz UPTNDOKFSJWUKI-MRXNPFEDSA-N 1 0 383.236 2.956 20 0 GFADRO CC1CC[NH+]([C@@H](CNS(=O)(=O)C[C@H]2CCCOC2)c2cccs2)CC1 ZINC000784730859 657324386 /nfs/dbraw/zinc/32/43/86/657324386.db2.gz QEYXMEFPYLKJLJ-IRXDYDNUSA-N 1 0 386.583 2.867 20 0 GFADRO Cn1nc(Br)cc1CNc1cccc(CN2CC[NH+](C)CC2)c1 ZINC000785434428 657364821 /nfs/dbraw/zinc/36/48/21/657364821.db2.gz NCFWLVYCXGCAQX-UHFFFAOYSA-N 1 0 378.318 2.542 20 0 GFADRO CC[N@@H+]1CCC[C@H]1CNC(=S)NCCN1CCc2c(Cl)cccc2C1 ZINC000785476709 657367224 /nfs/dbraw/zinc/36/72/24/657367224.db2.gz YMIUQDJPJFYXHY-INIZCTEOSA-N 1 0 380.989 2.647 20 0 GFADRO C[NH+]1CCC(n2ccc(NC(=O)N[C@@H]3CC[C@@H]4SCCS[C@@H]34)n2)CC1 ZINC000786699314 657453318 /nfs/dbraw/zinc/45/33/18/657453318.db2.gz MCXYPHQMMNPJOW-YCPHGPKFSA-N 1 0 381.571 2.651 20 0 GFADRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(Br)nn2C)[C@H]1Oc1ccccc1 ZINC000787276141 657537122 /nfs/dbraw/zinc/53/71/22/657537122.db2.gz PXAACWVIQCLUDO-BFYDXBDKSA-N 1 0 380.286 2.897 20 0 GFADRO COC(=O)/C=C1/SCC(=O)N1CCC[N@@H+]1CC[C@H](C(F)(F)F)C1(C)C ZINC000787328278 657543871 /nfs/dbraw/zinc/54/38/71/657543871.db2.gz QIJBYBHSRWPGGG-GJSJWPQCSA-N 1 0 380.432 2.629 20 0 GFADRO NC(=O)C1=NO[C@@H](C[NH2+]Cc2ccc(-c3ccccc3Br)s2)C1 ZINC000789560953 657864720 /nfs/dbraw/zinc/86/47/20/657864720.db2.gz NYXTWVFFXZBOPR-SNVBAGLBSA-N 1 0 394.294 2.897 20 0 GFADRO C[N@H+](CCCO)C1CCN(c2ccc(-c3nnc(Br)o3)cc2)CC1 ZINC000790090257 657926379 /nfs/dbraw/zinc/92/63/79/657926379.db2.gz AZSCXJPZUDBUNZ-UHFFFAOYSA-N 1 0 395.301 2.782 20 0 GFADRO COc1ccc([C@@H](C[NH+]2CCCC2)NC(=O)c2cc(Br)n[nH]2)cc1 ZINC000791394067 658091867 /nfs/dbraw/zinc/09/18/67/658091867.db2.gz XKPDFEINJVDKJP-OAHLLOKOSA-N 1 0 393.285 2.748 20 0 GFADRO C[NH+](C)C1(CNC(=O)c2nc(Br)ccc2F)Cc2ccccc2C1 ZINC000791612128 658142864 /nfs/dbraw/zinc/14/28/64/658142864.db2.gz UOUQENHJYCQODW-UHFFFAOYSA-N 1 0 392.272 2.812 20 0 GFADRO COC(=O)CC[N@H+](CCCN1CCOC1=O)Cc1cccc(Br)c1 ZINC000792328361 658269867 /nfs/dbraw/zinc/26/98/67/658269867.db2.gz WSCOHPPBRVGDQQ-UHFFFAOYSA-N 1 0 399.285 2.657 20 0 GFADRO COC(=O)C1=C(C)O[C@H](C[N@H+](CCO)Cc2ccc(Br)s2)C1 ZINC000792489550 658289250 /nfs/dbraw/zinc/28/92/50/658289250.db2.gz UUSGPHFRSJZJMD-NSHDSACASA-N 1 0 390.299 2.541 20 0 GFADRO COc1ccc(Cl)cc1NC(=S)NC[C@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000792667842 658307715 /nfs/dbraw/zinc/30/77/15/658307715.db2.gz BDEFWAYMWLKYTM-MRXNPFEDSA-N 1 0 384.977 2.907 20 0 GFADRO C[NH+](C)[C@H](CNC(=O)N(CCO)Cc1cccnc1Cl)c1cccs1 ZINC000792788391 658322314 /nfs/dbraw/zinc/32/23/14/658322314.db2.gz CQDZZPLJSOBICH-CQSZACIVSA-N 1 0 382.917 2.603 20 0 GFADRO O=C(NCCC[NH+]1CCN(c2cccc(Br)c2)CC1)C(F)(F)F ZINC000792932480 658331370 /nfs/dbraw/zinc/33/13/70/658331370.db2.gz BRJMQUWNAQIYBT-UHFFFAOYSA-N 1 0 394.235 2.640 20 0 GFADRO CCC(CC)[C@H](CNC(=O)C(=O)Nc1ccc(C)c(Br)n1)[NH+](C)C ZINC000792987008 658341597 /nfs/dbraw/zinc/34/15/97/658341597.db2.gz QAOUMCWQBRBCLR-ZDUSSCGKSA-N 1 0 399.333 2.574 20 0 GFADRO C[C@@H]1CO[C@H](c2cccc(C(F)(F)F)c2)CN1C(=S)NCC[NH+](C)C ZINC000793257706 658378214 /nfs/dbraw/zinc/37/82/14/658378214.db2.gz WUYBIFSTPRECPG-DOMZBBRYSA-N 1 0 375.460 2.903 20 0 GFADRO CCN(CC)S(=O)(=O)c1ccc(CC[NH2+][C@H](C)c2cc(C)nn2C)s1 ZINC000793523899 658402822 /nfs/dbraw/zinc/40/28/22/658402822.db2.gz HCUITPSWQHMJSF-CQSZACIVSA-N 1 0 384.571 2.714 20 0 GFADRO COc1ncc([C@H](C)[NH2+]CCNS(=O)(=O)Cc2ccccc2)cc1Cl ZINC000793521328 658403012 /nfs/dbraw/zinc/40/30/12/658403012.db2.gz KJEFXYRLTAKVBF-ZDUSSCGKSA-N 1 0 383.901 2.514 20 0 GFADRO CCN(CC)S(=O)(=O)c1ccc(CC[NH2+][C@@H](C)c2cc(C)nn2C)s1 ZINC000793523897 658403248 /nfs/dbraw/zinc/40/32/48/658403248.db2.gz HCUITPSWQHMJSF-AWEZNQCLSA-N 1 0 384.571 2.714 20 0 GFADRO C[C@H]1C[N@H+](Cn2ccc(=O)c3cccc(Br)c32)C[C@@]2(CCOC2)O1 ZINC000794708060 658599831 /nfs/dbraw/zinc/59/98/31/658599831.db2.gz XBHPOYYEVQAPCB-SCLBCKFNSA-N 1 0 393.281 2.601 20 0 GFADRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1sccc1C(N)=O)[C@H]1OCCc2sccc21 ZINC000795489103 658825076 /nfs/dbraw/zinc/82/50/76/658825076.db2.gz UUFHEVQYFVMINK-ISTVAULSSA-N 1 0 379.507 2.528 20 0 GFADRO Cc1cc(C[NH2+]C[C@@H]2CCCCN2S(C)(=O)=O)cc(C)c1OC(F)F ZINC000796514330 658921074 /nfs/dbraw/zinc/92/10/74/658921074.db2.gz YEAIMZYOAWKEJY-HNNXBMFYSA-N 1 0 376.469 2.809 20 0 GFADRO Cc1cc(N2CCN(Cc3cc(Br)ccc3F)CC2)nc(N)[nH+]1 ZINC000798411599 659100981 /nfs/dbraw/zinc/10/09/81/659100981.db2.gz QASOKJFFMIHBSQ-UHFFFAOYSA-N 1 0 380.265 2.591 20 0 GFADRO CC(C)(C)OC(=O)N1CC[C@](C)(C[NH2+]Cc2ccc(S(C)(=O)=O)s2)C1 ZINC000798953163 659157891 /nfs/dbraw/zinc/15/78/91/659157891.db2.gz FXAOHSWSASYOLZ-QGZVFWFLSA-N 1 0 388.555 2.888 20 0 GFADRO O=C(NCC1CC[NH+](C[C@@H](O)c2ccc(Cl)c(F)c2)CC1)C(F)(F)F ZINC000799174575 659170306 /nfs/dbraw/zinc/17/03/06/659170306.db2.gz OXSKWNMUGDXEIY-CQSZACIVSA-N 1 0 382.785 2.903 20 0 GFADRO O=S(=O)(NCC[NH2+]Cc1ccc(Cl)nc1)c1ccc(Cl)cc1F ZINC000799345348 659183244 /nfs/dbraw/zinc/18/32/44/659183244.db2.gz YSNSUHJWPXVLFU-UHFFFAOYSA-N 1 0 378.256 2.596 20 0 GFADRO Cn1c(Cl)cnc1C[NH2+]CCCNC(=O)c1ccc(Br)cc1 ZINC000799336487 659183456 /nfs/dbraw/zinc/18/34/56/659183456.db2.gz MFMOZCCOTQOZBV-UHFFFAOYSA-N 1 0 385.693 2.746 20 0 GFADRO Nc1ccc(C(=O)OCCC[NH+]2CCCCC2)c(I)c1 ZINC000800179792 659286380 /nfs/dbraw/zinc/28/63/80/659286380.db2.gz AITTUTLZSFGCBC-UHFFFAOYSA-N 1 0 388.249 2.906 20 0 GFADRO Cc1nn(C)c(Br)c1C(=O)NC[C@@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000800843791 659338703 /nfs/dbraw/zinc/33/87/03/659338703.db2.gz VEXNIECQINEMIF-AWEZNQCLSA-N 1 0 385.350 2.977 20 0 GFADRO Cn1nc(Br)cc1C[NH2+][C@@H]1CCCN(C(=O)Cc2ccccc2)C1 ZINC000800900779 659344995 /nfs/dbraw/zinc/34/49/95/659344995.db2.gz KAXSIMOBSRWDDB-OAHLLOKOSA-N 1 0 391.313 2.506 20 0 GFADRO Cc1nc2ccc(Br)cn2c1C(=O)OC[C@@H]1C[N@H+](C(C)C)CCO1 ZINC000802140452 659448697 /nfs/dbraw/zinc/44/86/97/659448697.db2.gz JVDOQCUMJULNDW-AWEZNQCLSA-N 1 0 396.285 2.671 20 0 GFADRO Cc1nc(Cl)ccc1S(=O)(=O)N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC000805018742 659717929 /nfs/dbraw/zinc/71/79/29/659717929.db2.gz TZOUTVWXZOIUPJ-MRXNPFEDSA-N 1 0 379.913 2.938 20 0 GFADRO O=S(=O)(NC1CCC([NH+]2CCCCC2)CC1)c1cnc(Cl)c(F)c1 ZINC000805029994 659720815 /nfs/dbraw/zinc/72/08/15/659720815.db2.gz YNCSFHHZSDRWBS-UHFFFAOYSA-N 1 0 375.897 2.950 20 0 GFADRO CNC(=O)OC[C@H]1CCCC[N@@H+]1C[C@@H](O)COc1ccc(Cl)cc1Cl ZINC000805824796 659807915 /nfs/dbraw/zinc/80/79/15/659807915.db2.gz FRYAGZRYFWDMLC-ZIAGYGMSSA-N 1 0 391.295 2.944 20 0 GFADRO CC(=O)NCC[C@@H]1CCC[N@H+](C[C@H](O)c2ccc(F)c(Br)c2)C1 ZINC000805822204 659807923 /nfs/dbraw/zinc/80/79/23/659807923.db2.gz KCIHDIWYSIKCOI-GUYCJALGSA-N 1 0 387.293 2.860 20 0 GFADRO Cc1cc(S(=O)(=O)NCC[NH2+][C@H]2CCc3nc(Cl)ccc32)c(C)s1 ZINC000806148011 659826302 /nfs/dbraw/zinc/82/63/02/659826302.db2.gz BUKDKXJOTIUYKA-ZDUSSCGKSA-N 1 0 385.942 2.969 20 0 GFADRO C[C@H]1CCC[N@@H+]1CCNC(=O)c1cc(Br)cnc1OCC1CC1 ZINC000807271316 659850812 /nfs/dbraw/zinc/85/08/12/659850812.db2.gz SMIVWQPNHIOUGV-LBPRGKRZSA-N 1 0 382.302 2.847 20 0 GFADRO COc1ccc2c(C[N@H+](C)CCn3cc(Br)cn3)cc(=O)oc2c1 ZINC000808801985 659907043 /nfs/dbraw/zinc/90/70/43/659907043.db2.gz YVHGJKITWVPWNO-UHFFFAOYSA-N 1 0 392.253 2.893 20 0 GFADRO CC(C)C[N@@H+]1CCO[C@H](CNCc2nc3ccccn3c2Br)C1 ZINC000809602547 659933611 /nfs/dbraw/zinc/93/36/11/659933611.db2.gz QVJYZLNTHIBQPF-CQSZACIVSA-N 1 0 381.318 2.543 20 0 GFADRO CCN(CCC[N@@H+]1CCC[C@H](CNC(=O)C(F)(F)F)C1)CC(F)(F)F ZINC000810069233 659959013 /nfs/dbraw/zinc/95/90/13/659959013.db2.gz FBSDKIXDLZTMCE-GFCCVEGCSA-N 1 0 377.373 2.651 20 0 GFADRO CCC[N@H+](CC)C[C@@H](C)NS(=O)(=O)c1cc(C(=O)OC)c(Cl)cc1F ZINC000810118323 659963239 /nfs/dbraw/zinc/96/32/39/659963239.db2.gz REBSUGDOHNKDRG-LLVKDONJSA-N 1 0 394.896 2.664 20 0 GFADRO CNC(=O)COc1cccc(C[NH2+][C@H](C)c2ccc(Br)nc2)c1 ZINC000810212042 659966913 /nfs/dbraw/zinc/96/69/13/659966913.db2.gz ZKVRKAXADQXTFF-GFCCVEGCSA-N 1 0 378.270 2.820 20 0 GFADRO Nc1nc(N2CCC[C@@H](OC(=O)/C=C\c3ccc(Br)o3)C2)cc[nH+]1 ZINC000810767249 659985035 /nfs/dbraw/zinc/98/50/35/659985035.db2.gz UHCUCTKHTPBWIG-TXNVCOODSA-N 1 0 393.241 2.640 20 0 GFADRO Cc1cc(C(=O)O[C@@H]2CCCN(c3cc[nH+]c(N)n3)C2)ccc1Br ZINC000810760760 659985079 /nfs/dbraw/zinc/98/50/79/659985079.db2.gz BLYZMHIZFMNWIK-CYBMUJFWSA-N 1 0 391.269 2.956 20 0 GFADRO C[C@@H]1C[N@H+](CCCNC(=O)c2cc(C(F)(F)F)cc(Cl)n2)CCCO1 ZINC000811456691 660009169 /nfs/dbraw/zinc/00/91/69/660009169.db2.gz BBXNRBGJMGJTAX-LLVKDONJSA-N 1 0 379.810 2.985 20 0 GFADRO CC(C)(C)OC(=O)NC[C@@](C)(O)C[NH2+]Cc1ccc(Br)s1 ZINC000811811373 660015862 /nfs/dbraw/zinc/01/58/62/660015862.db2.gz ATRQTEFDZIERQT-AWEZNQCLSA-N 1 0 379.320 2.876 20 0 GFADRO CC(C)(C)OC(=O)NC[C@@](C)(O)C[NH2+]Cc1ccc(F)cc1Br ZINC000811814187 660015875 /nfs/dbraw/zinc/01/58/75/660015875.db2.gz SESFKLXRTFYFRC-INIZCTEOSA-N 1 0 391.281 2.954 20 0 GFADRO CSC1(CNC(=O)NC[C@](C)(O)c2ccccc2Cl)CC[NH+](C)CC1 ZINC000811940708 660018026 /nfs/dbraw/zinc/01/80/26/660018026.db2.gz QOIAENSMOXMIIC-KRWDZBQOSA-N 1 0 385.961 2.674 20 0 GFADRO C[C@H]([NH2+]C[C@H]1CC2(CC2)C(=O)O1)c1ccc(Br)cc1OCCCO ZINC000812885187 660036173 /nfs/dbraw/zinc/03/61/73/660036173.db2.gz MPUKZMPSQYUSFB-GXTWGEPZSA-N 1 0 398.297 2.957 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)N2CC(=O)Nc3cc(Br)ccc32)C1 ZINC000813107506 660043826 /nfs/dbraw/zinc/04/38/26/660043826.db2.gz RNHHQRNKESQUHB-QGZVFWFLSA-N 1 0 398.276 2.947 20 0 GFADRO C[N@@H+]1CC[C@]2(CCN(C(=O)NOCc3ccc(F)cc3Br)C2)C1 ZINC000813726831 660062356 /nfs/dbraw/zinc/06/23/56/660062356.db2.gz HOYBZXMXHBOGFF-INIZCTEOSA-N 1 0 386.265 2.757 20 0 GFADRO CC[NH+](CC)CCN(CCOC)C(=O)c1nc(C2CC2)ncc1Br ZINC000813810948 660065007 /nfs/dbraw/zinc/06/50/07/660065007.db2.gz LWIFXIPTKZFWQT-UHFFFAOYSA-N 1 0 399.333 2.547 20 0 GFADRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]C[C@](C)(O)c1ccc(Br)cc1Cl ZINC000815103162 660112448 /nfs/dbraw/zinc/11/24/48/660112448.db2.gz VWVPXBLHVZCHLZ-WPGHFRTFSA-N 1 0 389.721 2.814 20 0 GFADRO Cn1ncc(C[NH2+]CCCNC(=O)c2ccc(Br)cc2)c1Cl ZINC000815121335 660113752 /nfs/dbraw/zinc/11/37/52/660113752.db2.gz KWXNUEXRRNJWGX-UHFFFAOYSA-N 1 0 385.693 2.746 20 0 GFADRO CN(C)C(=O)OC1CC[NH+](C[C@@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000815192991 660116409 /nfs/dbraw/zinc/11/64/09/660116409.db2.gz OEGNXRBBEWYWFR-GFCCVEGCSA-N 1 0 391.295 2.896 20 0 GFADRO CC[NH+](CC)[C@H](C(=O)NCc1cnc(Br)cn1)c1ccccc1 ZINC000816530231 660160095 /nfs/dbraw/zinc/16/00/95/660160095.db2.gz AAIOMOVEGYLMLE-INIZCTEOSA-N 1 0 377.286 2.938 20 0 GFADRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1cn2c(Br)cnc2s1 ZINC000816649510 660164113 /nfs/dbraw/zinc/16/41/13/660164113.db2.gz ANZARFZUQUWEOS-WDEREUQCSA-N 1 0 383.315 2.857 20 0 GFADRO O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)c1nc(F)ccc1Br ZINC000816806170 660169261 /nfs/dbraw/zinc/16/92/61/660169261.db2.gz UNZIRDFCTSJGKF-ZDUSSCGKSA-N 1 0 378.245 2.988 20 0 GFADRO C[N@@H+]1CC[C@]2(CCN(C(=O)c3cnn(-c4ccccc4)c3Br)C2)C1 ZINC000817043117 660177258 /nfs/dbraw/zinc/17/72/58/660177258.db2.gz BTRJCWFOBFEITO-SFHVURJKSA-N 1 0 389.297 2.803 20 0 GFADRO C[C@@H]1C[N@H+](CN2C(=O)C(=O)N(c3ccc(Br)cc3)C2=O)[C@@H](C)[C@H]1C ZINC000841689275 661308826 /nfs/dbraw/zinc/30/88/26/661308826.db2.gz IUUPIOIFHHSLJN-WOPDTQHZSA-N 1 0 394.269 2.678 20 0 GFADRO CC1(C)CN(C(=O)Nc2cnc(Cl)c(C(F)(F)F)c2)CCN1CCO ZINC000841798631 661314206 /nfs/dbraw/zinc/31/42/06/661314206.db2.gz IXXBWKUYNFOUIY-UHFFFAOYSA-N 1 0 380.798 2.674 20 0 GFADRO [NH3+]C1(CNC(=O)N[C@@H]2CC[C@H]3SCCS[C@H]23)C2CC3CC(C2)CC1C3 ZINC000841867664 661316842 /nfs/dbraw/zinc/31/68/42/661316842.db2.gz LNMQPJBNTPGURC-RRLRJCGQSA-N 1 0 381.611 2.819 20 0 GFADRO CN(C)C(=O)c1ccccc1C[NH2+]C[C@@H](O)c1ccccc1Br ZINC000841886012 661317055 /nfs/dbraw/zinc/31/70/55/661317055.db2.gz JDKCYAOJBIPGFV-QGZVFWFLSA-N 1 0 377.282 2.974 20 0 GFADRO O=C(NCCC[NH2+]C1CC1)N1CCO[C@@H](c2ccccc2Br)C1 ZINC000841918677 661317627 /nfs/dbraw/zinc/31/76/27/661317627.db2.gz UALGIFOAQXOCKA-MRXNPFEDSA-N 1 0 382.302 2.674 20 0 GFADRO C[C@H](NC(=O)N1CCO[C@H](c2ccccc2Br)C1)[C@@H]1CCC[NH2+]C1 ZINC000841929947 661317958 /nfs/dbraw/zinc/31/79/58/661317958.db2.gz XZZHHAKTAPEVCJ-VBQJREDUSA-N 1 0 396.329 2.920 20 0 GFADRO O=C(NCC[C@H](O)c1ccc(Cl)c(Cl)c1)N[C@@H]1C[NH2+]CCC1(F)F ZINC000842003041 661319533 /nfs/dbraw/zinc/31/95/33/661319533.db2.gz MHYJDCIPXWMFHO-QWHCGFSZSA-N 1 0 382.238 2.713 20 0 GFADRO [NH3+]CCCCCCCN1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000842471486 661341192 /nfs/dbraw/zinc/34/11/92/661341192.db2.gz DOKGSGVZTGJYIZ-UHFFFAOYSA-N 1 0 379.979 2.617 20 0 GFADRO [NH3+][C@@H]1CCO[C@H](C2CCN(S(=O)(=O)/C=C\c3cccc(Cl)c3)CC2)C1 ZINC000842484691 661341779 /nfs/dbraw/zinc/34/17/79/661341779.db2.gz LAPKFLANMIKVNT-GCNOGIOXSA-N 1 0 384.929 2.859 20 0 GFADRO C[C@@H]1Cc2cc(S(=O)(=O)NCc3ccc(CC[NH3+])cc3)cc(Cl)c2O1 ZINC000842701456 661349987 /nfs/dbraw/zinc/34/99/87/661349987.db2.gz IIXPCKPDVCMFNV-GFCCVEGCSA-N 1 0 380.897 2.643 20 0 GFADRO O=S(=O)(/C=C\c1ccccc1Br)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000842850340 661357164 /nfs/dbraw/zinc/35/71/64/661357164.db2.gz QOKJFGPOBNVNLE-BCTQVIJGSA-N 1 0 385.327 2.825 20 0 GFADRO COC(=O)c1cc(S(=O)(=O)N[C@@H](C)CCCC[NH3+])c(Cl)cc1Cl ZINC000842869549 661357909 /nfs/dbraw/zinc/35/79/09/661357909.db2.gz NMNYWBQQCGGHKI-VIFPVBQESA-N 1 0 383.297 2.576 20 0 GFADRO [NH3+]CCCCCCNC(=O)C(=O)Nc1cc2c(cc1Br)CCC2 ZINC000843051545 661365331 /nfs/dbraw/zinc/36/53/31/661365331.db2.gz FNZPUZDQWQQJTO-UHFFFAOYSA-N 1 0 382.302 2.512 20 0 GFADRO [NH3+]CCCCCCNC(=O)C(=O)Nc1ccc(Br)c2cccnc12 ZINC000843053848 661365539 /nfs/dbraw/zinc/36/55/39/661365539.db2.gz UPXVUSRZIIMAOK-UHFFFAOYSA-N 1 0 393.285 2.571 20 0 GFADRO O[C@@H](C[NH2+]C[C@@H](O)c1ccc(Br)cc1)COc1cccc(F)c1 ZINC000843066002 661366018 /nfs/dbraw/zinc/36/60/18/661366018.db2.gz OMNHZDXLUYROQY-DOTOQJQBSA-N 1 0 384.245 2.651 20 0 GFADRO Cc1ccc([C@@H](O)C[NH2+]C[C@H](O)COc2cc(F)cc(Br)c2)o1 ZINC000843088751 661367266 /nfs/dbraw/zinc/36/72/66/661367266.db2.gz PGFMKBCDLVFZSV-ZFWWWQNUSA-N 1 0 388.233 2.553 20 0 GFADRO COc1ccc([C@@H](CO)C[NH2+]C[C@@H](O)c2ccc(Br)cc2)cc1 ZINC000843094256 661367411 /nfs/dbraw/zinc/36/74/11/661367411.db2.gz JZSJYPWEBLZXFQ-CRAIPNDOSA-N 1 0 380.282 2.857 20 0 GFADRO COc1ccc([C@H](CO)C[NH2+]C[C@H](O)c2ccccc2Br)cc1 ZINC000843098139 661367835 /nfs/dbraw/zinc/36/78/35/661367835.db2.gz VBWTXYOSEDXZTI-KSSFIOAISA-N 1 0 380.282 2.857 20 0 GFADRO O[C@H](C[NH2+]C[C@@H](O)c1cccc(Br)c1)COCc1cccs1 ZINC000843113221 661369079 /nfs/dbraw/zinc/36/90/79/661369079.db2.gz PMJYWNVVDOTGET-GDBMZVCRSA-N 1 0 386.311 2.711 20 0 GFADRO O[C@H](C[NH2+][C@@H]1COc2ccccc2[C@@H]1O)COc1cc(Cl)ccc1Cl ZINC000843115872 661369356 /nfs/dbraw/zinc/36/93/56/661369356.db2.gz KRPFYCIYLFJSCV-DWQUBVKVSA-N 1 0 384.259 2.817 20 0 GFADRO OCC[C@@H](Cc1ccccc1)[NH2+]C[C@@H](O)COc1ccc(Br)cc1 ZINC000843115935 661369437 /nfs/dbraw/zinc/36/94/37/661369437.db2.gz USWRZIKVBWTHHH-ZWKOTPCHSA-N 1 0 394.309 2.772 20 0 GFADRO Brc1ccc2nc(CN3CCN([C@@H]4CC[NH2+]C4)CC3)sc2c1 ZINC000843124886 661370376 /nfs/dbraw/zinc/37/03/76/661370376.db2.gz OKTWHPLNLMEZGY-CYBMUJFWSA-N 1 0 381.343 2.538 20 0 GFADRO C[C@H](CCc1ccc(I)cc1)Cc1nc(CC[NH3+])no1 ZINC000843132296 661370446 /nfs/dbraw/zinc/37/04/46/661370446.db2.gz RGTLBBIVFZMJAN-LLVKDONJSA-N 1 0 385.249 2.987 20 0 GFADRO Cc1ccc(S(=O)(=O)N2CCC[C@@H](c3nc([C@@H]([NH3+])C(C)C)no3)C2)s1 ZINC000843150766 661370761 /nfs/dbraw/zinc/37/07/61/661370761.db2.gz DKGUZVWDNVBFDC-OCCSQVGLSA-N 1 0 384.527 2.664 20 0 GFADRO COc1ccc(Cc2noc(C[C@@H]([NH3+])C3CC3)n2)c(Br)c1OC ZINC000843202992 661372164 /nfs/dbraw/zinc/37/21/64/661372164.db2.gz MZKAQDIZKHCYBF-LLVKDONJSA-N 1 0 382.258 2.720 20 0 GFADRO [NH3+][C@H](Cc1nc(-c2n[nH]c(-c3cccc(Br)c3)n2)no1)C1CC1 ZINC000843227822 661374308 /nfs/dbraw/zinc/37/43/08/661374308.db2.gz CYGQSVDRFDSJAM-LLVKDONJSA-N 1 0 375.230 2.564 20 0 GFADRO CN(CCN1CC[NH2+]CC1)C(=O)/C=C/c1cc(C(F)(F)F)ccc1Cl ZINC000843337484 661378213 /nfs/dbraw/zinc/37/82/13/661378213.db2.gz CQHOMUAJCSKEBU-GORDUTHDSA-N 1 0 375.822 2.736 20 0 GFADRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1Cc1nc2ccc(Br)cc2s1 ZINC000843429484 661381144 /nfs/dbraw/zinc/38/11/44/661381144.db2.gz WVXVCDPFVCLYOV-NSHDSACASA-N 1 0 397.342 2.611 20 0 GFADRO O=C(NCCc1ccc(Br)cc1F)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000843434771 661381383 /nfs/dbraw/zinc/38/13/83/661381383.db2.gz NXTXLYCPFYKZLC-KRWDZBQOSA-N 1 0 377.257 2.961 20 0 GFADRO CC[C@@H]([NH3+])CNC(=O)c1ccccc1N(C)C(=O)c1ccc(Br)o1 ZINC000843482792 661382953 /nfs/dbraw/zinc/38/29/53/661382953.db2.gz CGXFEROAJWSVLC-LLVKDONJSA-N 1 0 394.269 2.786 20 0 GFADRO O=C(CO[C@H]1CCC[NH2+]C1)NCc1ccc(Br)cc1C(F)(F)F ZINC000843488482 661383412 /nfs/dbraw/zinc/38/34/12/661383412.db2.gz BKJZJUHOSYDBDI-LBPRGKRZSA-N 1 0 395.219 2.853 20 0 GFADRO O=C(/C=C\c1ccc(I)o1)N[C@H]1CC[NH2+]C12CCCC2 ZINC000843513285 661383968 /nfs/dbraw/zinc/38/39/68/661383968.db2.gz AIHHDTAUJKBKCX-RNZFLTOJSA-N 1 0 386.233 2.688 20 0 GFADRO C[C@H](CNC(=O)C(F)(F)c1cccc(Cl)c1Cl)N1CC[NH+](C)CC1 ZINC000843798739 661393124 /nfs/dbraw/zinc/39/31/24/661393124.db2.gz ZJBZEWSTMFQWON-LLVKDONJSA-N 1 0 380.266 2.837 20 0 GFADRO CCOP(=O)(CN(C)C(=O)CC1([NH+]2CCOCC2)CCCC1)OCC ZINC000843914384 661396833 /nfs/dbraw/zinc/39/68/33/661396833.db2.gz ATZAMRBVONJNEZ-UHFFFAOYSA-N 1 0 376.434 2.704 20 0 GFADRO CCCN(C(=O)C[C@@](O)(c1nc(C)cs1)C(F)(F)F)[C@@H]1CC[N@H+](C)C1 ZINC000843992934 661399537 /nfs/dbraw/zinc/39/95/37/661399537.db2.gz UWEWAXSZNUQNKL-IUODEOHRSA-N 1 0 379.448 2.534 20 0 GFADRO [NH3+][C@@H]1CCC[C@H]1Cc1nc(CC(=O)Nc2ccccc2Br)no1 ZINC000844916773 661449239 /nfs/dbraw/zinc/44/92/39/661449239.db2.gz NOADMAGGAFHBFT-CMPLNLGQSA-N 1 0 379.258 2.683 20 0 GFADRO C[C@]1(CCNC(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)C[C@@]1(F)Cl ZINC000845064048 661455202 /nfs/dbraw/zinc/45/52/02/661455202.db2.gz MQEFINHZXAPOIY-FZCLSBEQSA-N 1 0 375.916 2.758 20 0 GFADRO C[C@@H](C[NH+]1CCCC1)OC(=O)c1cn(-c2ccccc2Br)nn1 ZINC000845666459 661485825 /nfs/dbraw/zinc/48/58/25/661485825.db2.gz GQTPLRNANBCVPE-LBPRGKRZSA-N 1 0 379.258 2.671 20 0 GFADRO C[C@@H](C[NH+]1CCCC1)OC(=O)c1sccc1S(=O)(=O)N1CCCCC1 ZINC000845669114 661486697 /nfs/dbraw/zinc/48/66/97/661486697.db2.gz HLDIMFYQVKWFAG-AWEZNQCLSA-N 1 0 386.539 2.564 20 0 GFADRO Cc1cc(Br)sc1S(=O)(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000845891204 661504366 /nfs/dbraw/zinc/50/43/66/661504366.db2.gz PYEIREOOSSKGHV-WDEREUQCSA-N 1 0 381.361 2.970 20 0 GFADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@@H](C)[C@@](C)(O)c1ccccc1 ZINC000846187328 661537331 /nfs/dbraw/zinc/53/73/31/661537331.db2.gz KKQWTRKUWLHPNY-QWQRMKEZSA-N 1 0 379.298 2.885 20 0 GFADRO C[NH2+]Cc1ccccc1CNC(=O)NC[C@@H](O)c1cccc(Br)c1 ZINC000846206178 661538445 /nfs/dbraw/zinc/53/84/45/661538445.db2.gz XJMBEDZUFKZKGH-QGZVFWFLSA-N 1 0 392.297 2.701 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(S(=O)(=O)/C=C/c3ccccc3Cl)C2)C1 ZINC000846232631 661539465 /nfs/dbraw/zinc/53/94/65/661539465.db2.gz XGZLRYOHDSKGIX-AUYGQXQBSA-N 1 0 384.929 2.859 20 0 GFADRO C[C@H]1CCCN(S(=O)(=O)c2cc(Br)cnc2Cl)[C@H]1CC[NH3+] ZINC000846232823 661539513 /nfs/dbraw/zinc/53/95/13/661539513.db2.gz VFJVHQCYKKTDJA-ONGXEEELSA-N 1 0 396.738 2.636 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2S(=O)(=O)Cc2ccc(Cl)c(F)c2)C1 ZINC000846234586 661539645 /nfs/dbraw/zinc/53/96/45/661539645.db2.gz IDIXOISWYPHKAR-COXVUDFISA-N 1 0 390.908 2.670 20 0 GFADRO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCN(C(=O)Nc3ncc(C(F)(F)F)s3)C2)C1 ZINC000846307438 661544254 /nfs/dbraw/zinc/54/42/54/661544254.db2.gz BJHFOBJTNGQGCM-GMTAPVOTSA-N 1 0 378.420 2.912 20 0 GFADRO C[NH+](C)CC[C@@H](N)C(=O)N=c1sccn1Cc1ccc(Cl)cc1Cl ZINC000846672126 661561363 /nfs/dbraw/zinc/56/13/63/661561363.db2.gz JHSNJBZHENUFJQ-CQSZACIVSA-N 1 0 387.336 2.611 20 0 GFADRO O=C([C@@H]1CC[C@H](C2CC2)[NH2+]1)N1CCO[C@H](c2ccccc2Br)C1 ZINC000846669923 661561385 /nfs/dbraw/zinc/56/13/85/661561385.db2.gz JZONYFDBOCINFF-IKGGRYGDSA-N 1 0 379.298 2.880 20 0 GFADRO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2C(=O)[C@@H](O)c2cc(Cl)cc(Cl)c2)C1 ZINC000846699775 661562224 /nfs/dbraw/zinc/56/22/24/661562224.db2.gz QLNFURIFFCIUTF-QZWWFDLISA-N 1 0 387.307 2.914 20 0 GFADRO C[C@]1(CCNC(=O)C(=O)NCCCCC[NH+]2CCCCC2)C[C@]1(F)Cl ZINC000846728855 661563150 /nfs/dbraw/zinc/56/31/50/661563150.db2.gz BQUMETRKJICKMK-ZWKOTPCHSA-N 1 0 375.916 2.580 20 0 GFADRO CC[NH+](CC)CC[C@H](CO)NC(=O)C(F)(F)c1ccc(Br)cc1 ZINC000846997980 661572935 /nfs/dbraw/zinc/57/29/35/661572935.db2.gz CNFSEQNLNMCVPA-CQSZACIVSA-N 1 0 393.272 2.750 20 0 GFADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)c2cnc(Cl)c(Br)c2)C1 ZINC000847300551 661586648 /nfs/dbraw/zinc/58/66/48/661586648.db2.gz CZWAYIRPIUFDKZ-GFCCVEGCSA-N 1 0 390.709 2.584 20 0 GFADRO CSc1cc(Br)ccc1C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000847406064 661590993 /nfs/dbraw/zinc/59/09/93/661590993.db2.gz AAAGDGKUXZUERJ-CHWSQXEVSA-N 1 0 385.327 2.764 20 0 GFADRO O=C(C1CC[NH+]([C@H]2CCSC2)CC1)N1CCC(C(=O)C(F)(F)F)CC1 ZINC000847761275 661609148 /nfs/dbraw/zinc/60/91/48/661609148.db2.gz IAZZLNBVGNHZGP-AWEZNQCLSA-N 1 0 378.460 2.574 20 0 GFADRO COCC[NH+]1CCC(OC(=O)c2cnc3ncc(Br)cc3c2)CC1 ZINC000847884870 661615113 /nfs/dbraw/zinc/61/51/13/661615113.db2.gz GQGJXXOLQARGKX-UHFFFAOYSA-N 1 0 394.269 2.660 20 0 GFADRO Cc1c(Cl)c(C(=O)Nc2ccccc2C[NH+](C)C)sc1S(N)(=O)=O ZINC000848153159 661628831 /nfs/dbraw/zinc/62/88/31/661628831.db2.gz PCCVDQTXFBJVOJ-UHFFFAOYSA-N 1 0 387.914 2.671 20 0 GFADRO CN(C)C(=O)[C@H]1CC[N@H+](Cn2cc(-c3ccc(Br)cc3)cn2)C1 ZINC000848489684 661654921 /nfs/dbraw/zinc/65/49/21/661654921.db2.gz YBVBDAIPVFYQHF-AWEZNQCLSA-N 1 0 377.286 2.680 20 0 GFADRO COc1cc(Br)c(Cc2noc(CC[NH2+]C3CC3)n2)cc1OC ZINC000848623353 661668381 /nfs/dbraw/zinc/66/83/81/661668381.db2.gz DKFCKQBUIKLZOE-UHFFFAOYSA-N 1 0 382.258 2.735 20 0 GFADRO O=C(NCc1noc([C@@H]2C[C@]23CCC[NH2+]C3)n1)c1ccc(Br)cc1 ZINC000848630897 661668715 /nfs/dbraw/zinc/66/87/15/661668715.db2.gz AMNRQDONWUYVHI-GUYCJALGSA-N 1 0 391.269 2.619 20 0 GFADRO Cn1nc(C(F)(F)F)c(CN2CCC[C@@H]([NH+]3CCOCC3)CC2)c1Cl ZINC000848930231 661689495 /nfs/dbraw/zinc/68/94/95/661689495.db2.gz OTSDNAJLBDGMKC-GFCCVEGCSA-N 1 0 380.842 2.779 20 0 GFADRO [NH2+]=C(NCC(=O)Nc1ccc(I)cc1)Nc1ccccc1 ZINC000849002374 661690373 /nfs/dbraw/zinc/69/03/73/661690373.db2.gz IIHLEKNECWWTSB-UHFFFAOYSA-N 1 0 394.216 2.866 20 0 GFADRO [NH2+]=C(NCCNS(=O)(=O)c1cccc(Cl)c1)Nc1cc(F)ccc1F ZINC000849080923 661691150 /nfs/dbraw/zinc/69/11/50/661691150.db2.gz YDZMEUSXWFQIFN-UHFFFAOYSA-N 1 0 388.827 2.533 20 0 GFADRO CO[C@@H](CCNC(=[NH2+])N1CCN(c2ccc(Cl)cc2)CC1)C(F)(F)F ZINC000849088858 661691318 /nfs/dbraw/zinc/69/13/18/661691318.db2.gz VBBLCAKNSJPBBC-AWEZNQCLSA-N 1 0 378.826 2.954 20 0 GFADRO [NH2+]=C(NCCc1ccccc1)NC[C@H](CO)Cc1cccc(Br)c1 ZINC000849103694 661691815 /nfs/dbraw/zinc/69/18/15/661691815.db2.gz ZOYXMQPFJFNJTI-QGZVFWFLSA-N 1 0 390.325 2.957 20 0 GFADRO COc1ccc(C[C@@H](CO)CNC(=[NH2+])NC2CCCC2)cc1Br ZINC000849109700 661692336 /nfs/dbraw/zinc/69/23/36/661692336.db2.gz FDDCVSLYRZLQIB-CYBMUJFWSA-N 1 0 384.318 2.665 20 0 GFADRO Cc1ccc(C[C@@H](CO)CNC(=[NH2+])Nc2ccccn2)cc1Br ZINC000849115050 661692841 /nfs/dbraw/zinc/69/28/41/661692841.db2.gz CPZHSOUOVJNXBZ-CQSZACIVSA-N 1 0 377.286 2.940 20 0 GFADRO CSCCCNC(=S)NC1(C[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000849304445 661704553 /nfs/dbraw/zinc/70/45/53/661704553.db2.gz KJXYGXUSBMQTKR-UHFFFAOYSA-N 1 0 378.611 2.558 20 0 GFADRO COC[C@H](CC[NH2+]C[C@@](C)(O)c1ccc(Br)cc1Cl)OC ZINC000849327489 661706227 /nfs/dbraw/zinc/70/62/27/661706227.db2.gz NCNYPFIKGPBDHY-SWLSCSKDSA-N 1 0 380.710 2.951 20 0 GFADRO Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)Nc2cc(Br)ccc2O)cn1 ZINC000849567472 661734648 /nfs/dbraw/zinc/73/46/48/661734648.db2.gz IFGQXNQGWMYMSY-UONOGXRCSA-N 1 0 393.285 2.562 20 0 GFADRO Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)N2CCc3sc(Cl)cc3C2)cn1 ZINC000849606578 661735016 /nfs/dbraw/zinc/73/50/16/661735016.db2.gz PUGMFUPRIBFJMP-LSDHHAIUSA-N 1 0 378.929 2.755 20 0 GFADRO O=S(=O)(C(F)F)N1CCC(C[NH2+]Cc2cc3ccncc3s2)CC1 ZINC000850134847 661765937 /nfs/dbraw/zinc/76/59/37/661765937.db2.gz INIHCZGXSUDFDE-UHFFFAOYSA-N 1 0 375.466 2.650 20 0 GFADRO CS(=O)(=O)CC1(CC[NH2+]Cc2cc(Br)cnc2Cl)CC1 ZINC000850344923 661770925 /nfs/dbraw/zinc/77/09/25/661770925.db2.gz BSFXBBGEKYHZDC-UHFFFAOYSA-N 1 0 381.723 2.802 20 0 GFADRO O=S(=O)(CC[NH2+]Cc1ccc(OCC(F)(F)F)cc1)CC(F)(F)F ZINC000850363672 661771778 /nfs/dbraw/zinc/77/17/78/661771778.db2.gz FPHLBLDAVGIRLU-UHFFFAOYSA-N 1 0 379.322 2.694 20 0 GFADRO COC(=O)N(C)CC[NH2+]Cc1cn(-c2cccc(Br)c2)nc1C ZINC000850389942 661773810 /nfs/dbraw/zinc/77/38/10/661773810.db2.gz MRRDBLVPSGTIQS-UHFFFAOYSA-N 1 0 381.274 2.731 20 0 GFADRO CON(C)C(=O)[C@H](CCSC)[NH2+][C@H](C)c1cncc(Br)c1 ZINC000850446588 661776744 /nfs/dbraw/zinc/77/67/44/661776744.db2.gz ZRXLGZKOBCBKEY-MFKMUULPSA-N 1 0 376.320 2.636 20 0 GFADRO C[C@@H]([NH2+]CC[S@@](=O)CC(F)(F)F)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000850490734 661778279 /nfs/dbraw/zinc/77/82/79/661778279.db2.gz FZYNFSVHLWWKJF-XQHREBAHSA-N 1 0 393.399 2.645 20 0 GFADRO C[C@@H]([NH2+]CC[S@@](=O)CC(F)(F)F)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000850496617 661779573 /nfs/dbraw/zinc/77/95/73/661779573.db2.gz PMRYSJBERJWMKC-XELLLNAOSA-N 1 0 386.480 2.923 20 0 GFADRO COc1cc([C@H](C)[NH2+]CCS(=O)(=O)CC(F)(F)F)ccc1OC(F)F ZINC000850518628 661780588 /nfs/dbraw/zinc/78/05/88/661780588.db2.gz CYBXKDQZOXSGFW-VIFPVBQESA-N 1 0 391.358 2.924 20 0 GFADRO C[C@@H](C[NH3+])NS(=O)(=O)c1ccc(OCc2ccccc2)c(Br)c1 ZINC000850586339 661782093 /nfs/dbraw/zinc/78/20/93/661782093.db2.gz PJZYTDQTHMZDGK-LBPRGKRZSA-N 1 0 399.310 2.654 20 0 GFADRO O=S(=O)(c1cc(Cl)ccc1OC(F)(F)F)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000850588419 661782331 /nfs/dbraw/zinc/78/23/31/661782331.db2.gz FJNMTZKGNMTYMX-ZDUSSCGKSA-N 1 0 384.807 2.755 20 0 GFADRO Cc1cc(S(=O)(=O)N2CC[C@H](c3ccc(F)cc3)[C@@H]([NH3+])C2)cnc1Cl ZINC000850592552 661783024 /nfs/dbraw/zinc/78/30/24/661783024.db2.gz OUXBTSYCGACMDF-CVEARBPZSA-N 1 0 383.876 2.688 20 0 GFADRO NC(=O)[C@](O)(C[N@@H+]1CCC[C@H]1c1ccc(Br)cc1)c1ccccc1 ZINC000851732203 661829571 /nfs/dbraw/zinc/82/95/71/661829571.db2.gz LVJCITYLJKTGBE-HKUYNNGSSA-N 1 0 389.293 2.959 20 0 GFADRO CC(C)C[N@H+](CCn1cnc(Br)n1)C[C@H](O)c1ccc(F)cc1 ZINC000851782842 661831948 /nfs/dbraw/zinc/83/19/48/661831948.db2.gz FRNJEFUVZWLMNM-HNNXBMFYSA-N 1 0 385.281 2.871 20 0 GFADRO CCOP(=O)(OCC)[C@H](O)C[N@@H+]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000851848027 661838675 /nfs/dbraw/zinc/83/86/75/661838675.db2.gz ITYGXYNGEOKXLY-KBPBESRZSA-N 1 0 380.422 2.512 20 0 GFADRO NC(=O)[C@@](O)(C[N@H+](Cc1csc(Br)c1)C1CC1)c1ccccc1 ZINC000851865368 661840831 /nfs/dbraw/zinc/84/08/31/661840831.db2.gz UYRQKVOMMAYBCU-QGZVFWFLSA-N 1 0 395.322 2.848 20 0 GFADRO Cc1nccn1-c1ccc([C@H](C)[NH2+]CCn2cnc(Br)n2)cc1 ZINC000851904398 661845506 /nfs/dbraw/zinc/84/55/06/661845506.db2.gz VWBOWPWEQNELRI-LBPRGKRZSA-N 1 0 375.274 2.886 20 0 GFADRO O[C@@H](C[N@@H+]1CCC[C@H](N2CCOCC2)CC1)c1ccc(Br)cc1 ZINC000852009532 661849097 /nfs/dbraw/zinc/84/90/97/661849097.db2.gz MSGJBUCDZMQMBS-ROUUACIJSA-N 1 0 383.330 2.669 20 0 GFADRO Cc1ccc2c(c1Br)CN(C(=O)NC[C@H]1C[N@@H+]3CCC[C@H]3CO1)C2 ZINC000852064803 661851354 /nfs/dbraw/zinc/85/13/54/661851354.db2.gz FJPWFCYLXPBQMZ-GJZGRUSLSA-N 1 0 394.313 2.646 20 0 GFADRO NC(=O)[C@](O)(C[N@@H+]1CC[C@@H](c2cccc(Br)c2)C1)c1ccccc1 ZINC000852136549 661854183 /nfs/dbraw/zinc/85/41/83/661854183.db2.gz ZBNHKSAOCWGSIX-BEFAXECRSA-N 1 0 389.293 2.612 20 0 GFADRO CCOP(=O)(OCC)[C@H](O)C[N@@H+]1CC[C@@H](C)[C@@H](C(=O)OC(C)(C)C)C1 ZINC000852203584 661856394 /nfs/dbraw/zinc/85/63/94/661856394.db2.gz FKAOHVIMANRRAY-ILXRZTDVSA-N 1 0 379.434 2.871 20 0 GFADRO C[C@@](O)(C[N@@H+]1CC[C@H](Cn2ccnn2)C1)c1ccc(Br)cc1Cl ZINC000852314480 661860233 /nfs/dbraw/zinc/86/02/33/661860233.db2.gz UACWRGDTSNMWHR-BLLLJJGKSA-N 1 0 399.720 2.924 20 0 GFADRO CO[C@@H]1CCC[C@H]([C@H](CO)[NH2+]C[C@@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000852349358 661861988 /nfs/dbraw/zinc/86/19/88/661861988.db2.gz HCAULWIJZOQFTF-CRNXPOROSA-N 1 0 392.323 2.889 20 0 GFADRO CCOP(=O)(OCC)[C@H](O)C[N@@H+]1CC[C@H](C(=O)OC)[C@H]2CCCC[C@@H]21 ZINC000852493774 661865923 /nfs/dbraw/zinc/86/59/23/661865923.db2.gz TUWMQTFRXVNDFS-UGUYLWEFSA-N 1 0 377.418 2.625 20 0 GFADRO O[C@H](C[NH2+][C@H]1C[C@@H](O)C12CCC2)COc1ccc(Cl)cc1Br ZINC000852584781 661867488 /nfs/dbraw/zinc/86/74/88/661867488.db2.gz RCDABTZOLWUBBC-BYCMXARLSA-N 1 0 390.705 2.735 20 0 GFADRO O=C1OCCN1C1CC[NH+](C[C@@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000852723992 661871792 /nfs/dbraw/zinc/87/17/92/661871792.db2.gz NWMFJAIHOYAZPZ-CQSZACIVSA-N 1 0 389.279 2.650 20 0 GFADRO O=C(NC[C@H](O)c1c(Cl)cccc1Cl)c1cc(C2CC[NH2+]CC2)no1 ZINC000852809420 661875156 /nfs/dbraw/zinc/87/51/56/661875156.db2.gz FEKPFSLPSFUUHQ-AWEZNQCLSA-N 1 0 384.263 2.912 20 0 GFADRO C[NH2+]CCC1CCN(C(=O)c2ccc(C(F)(F)Br)nc2)CC1 ZINC000852826709 661875433 /nfs/dbraw/zinc/87/54/33/661875433.db2.gz PJWKAORAKMWHJM-UHFFFAOYSA-N 1 0 376.245 2.988 20 0 GFADRO [NH3+]C[C@H](NC(=O)c1cnn(-c2ccccc2)c1Br)C1CCCC1 ZINC000852890368 661876519 /nfs/dbraw/zinc/87/65/19/661876519.db2.gz JGUCXLDHPLDEHK-HNNXBMFYSA-N 1 0 377.286 2.882 20 0 GFADRO C[C@H]1CCN(C(=O)c2cnn(-c3ccccc3)c2Br)C[C@H]1C[NH3+] ZINC000852891542 661876614 /nfs/dbraw/zinc/87/66/14/661876614.db2.gz SSCYJAUDUGZFHP-QWHCGFSZSA-N 1 0 377.286 2.692 20 0 GFADRO COC(=O)c1sc2c(c1Br)CN(C(=O)c1cccc(C[NH3+])c1)C2 ZINC000852924041 661877181 /nfs/dbraw/zinc/87/71/81/661877181.db2.gz LYMUGLBAPMXADD-UHFFFAOYSA-N 1 0 395.278 2.912 20 0 GFADRO CN([C@H](C[NH3+])C(F)(F)F)S(=O)(=O)/C=C\c1cccc(Br)c1 ZINC000853081832 661881645 /nfs/dbraw/zinc/88/16/45/661881645.db2.gz WUUOFFLXXDCCSC-ISALQUGTSA-N 1 0 387.221 2.571 20 0 GFADRO CC(C)(C)OC(=O)N1CCC([C@@H](O)C[NH2+]CCC2SCCS2)CC1 ZINC000853122284 661883025 /nfs/dbraw/zinc/88/30/25/661883025.db2.gz MMSOKDSBUXIZSQ-AWEZNQCLSA-N 1 0 376.588 2.780 20 0 GFADRO O[C@H](C[NH2+]C[C@H](O)c1cc(F)c(F)c(F)c1)COc1ccccc1Cl ZINC000853131209 661883165 /nfs/dbraw/zinc/88/31/65/661883165.db2.gz CBZNGLLGICGXOI-ABAIWWIYSA-N 1 0 375.774 2.820 20 0 GFADRO Brc1ccc(-c2cnn(C[N@@H+]3CC[C@@H](Cn4ccnn4)C3)c2)cc1 ZINC000853523200 661890843 /nfs/dbraw/zinc/89/08/43/661890843.db2.gz GRMGWZFGJKSMPR-CQSZACIVSA-N 1 0 387.285 2.884 20 0 GFADRO O=C(N1CCC[C@@H]([C@@H]2CCCC[N@@H+]2CN2CCSC2=S)C1)C(F)(F)F ZINC000853545464 661891823 /nfs/dbraw/zinc/89/18/23/661891823.db2.gz GGUSDZIJLVWVMZ-OLZOCXBDSA-N 1 0 395.516 2.933 20 0 GFADRO Cc1nc(-c2ccc(Br)cc2)nn1C[N@@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC000853591130 661893742 /nfs/dbraw/zinc/89/37/42/661893742.db2.gz ZUHJXOACTTYPEJ-CABCVRRESA-N 1 0 377.286 2.942 20 0 GFADRO COC(=O)c1c2cnn(C[N@@H+]3CC[C@H]4COC[C@@H]4C3)c2ccc1Br ZINC000853589257 661893823 /nfs/dbraw/zinc/89/38/23/661893823.db2.gz HZKNJPYAZPSIGF-RYUDHWBXSA-N 1 0 394.269 2.511 20 0 GFADRO O=C(NCCC[NH+]1CCCCCC1)c1csc(I)n1 ZINC000854304582 661922785 /nfs/dbraw/zinc/92/27/85/661922785.db2.gz FQJZVYOZXVOVAP-UHFFFAOYSA-N 1 0 393.294 2.744 20 0 GFADRO O=C(NCc1cnc(Br)s1)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000854355706 661928586 /nfs/dbraw/zinc/92/85/86/661928586.db2.gz PNCBFANXQQDEIS-LLVKDONJSA-N 1 0 390.372 2.739 20 0 GFADRO C[NH+]1CCC(Oc2ccc(CNC(=O)c3cc(Br)n[nH]3)cc2)CC1 ZINC000854397789 661931202 /nfs/dbraw/zinc/93/12/02/661931202.db2.gz XLPBLGGQSVCLGL-UHFFFAOYSA-N 1 0 393.285 2.575 20 0 GFADRO C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1cn3c(Br)cnc3s1)C2 ZINC000854734945 661952442 /nfs/dbraw/zinc/95/24/42/661952442.db2.gz GKMJSTZOPXTJEH-OAHLLOKOSA-N 1 0 383.315 2.716 20 0 GFADRO C[N@H+](CCCCNC(=O)c1cccc(S(=O)(=O)C(F)(F)F)c1)C1CC1 ZINC000854899501 661960333 /nfs/dbraw/zinc/96/03/33/661960333.db2.gz HONOYAOXONSBMH-UHFFFAOYSA-N 1 0 378.416 2.584 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)/C=C\c2ccc(I)o2)C1 ZINC000855286912 661983081 /nfs/dbraw/zinc/98/30/81/661983081.db2.gz DIILTPXUAAOQDP-XOIDGJRKSA-N 1 0 388.249 2.886 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)/C=C\c2ccc(I)o2)C1 ZINC000855286910 661983116 /nfs/dbraw/zinc/98/31/16/661983116.db2.gz DIILTPXUAAOQDP-JPVGGKMYSA-N 1 0 388.249 2.886 20 0 GFADRO Cn1c(Cl)c(Cl)cc1C(=O)NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000855401759 661990448 /nfs/dbraw/zinc/99/04/48/661990448.db2.gz RLPLJNKYFDAISW-AWEZNQCLSA-N 1 0 382.291 2.829 20 0 GFADRO O=C(NCC1CC[NH+](Cc2ccncc2)CC1)c1ncsc1Br ZINC000855528654 661996687 /nfs/dbraw/zinc/99/66/87/661996687.db2.gz DDZWEWXSACMENQ-UHFFFAOYSA-N 1 0 395.326 2.943 20 0 GFADRO O=C([C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CCn2ncc(Br)c2C1 ZINC000856013570 662016652 /nfs/dbraw/zinc/01/66/52/662016652.db2.gz VUKRFPZINSAATO-OAHLLOKOSA-N 1 0 389.297 2.510 20 0 GFADRO CCC[N@H+](C)CC(C)(C)NC(=O)c1cn(-c2ccccc2Br)nn1 ZINC000856283049 662027615 /nfs/dbraw/zinc/02/76/15/662027615.db2.gz LZLSQKFNZMAKRE-UHFFFAOYSA-N 1 0 394.317 2.880 20 0 GFADRO CS(=O)(=O)c1ccc(Cl)c(C(=O)NCC2CC[NH+](CC3CC3)CC2)c1 ZINC000856413443 662032559 /nfs/dbraw/zinc/03/25/59/662032559.db2.gz HCPDKJOQTSDBKE-UHFFFAOYSA-N 1 0 384.929 2.595 20 0 GFADRO O=C(NCC[C@@H]1CC1(Cl)Cl)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000856847347 662047400 /nfs/dbraw/zinc/04/74/00/662047400.db2.gz NSLHGUPIIUXYOD-HZPDHXFCSA-N 1 0 386.323 2.636 20 0 GFADRO O=C(OC[C@H]1CCC[N@@H+]1Cc1ccco1)c1cc(Br)c[nH]c1=O ZINC000857014442 662058392 /nfs/dbraw/zinc/05/83/92/662058392.db2.gz JLCVALJTYDIMHR-GFCCVEGCSA-N 1 0 381.226 2.964 20 0 GFADRO Cn1cc(Br)c(CNC(=O)c2cccc([C@H]3CCC[N@H+](C)C3)c2)n1 ZINC000857278746 662071618 /nfs/dbraw/zinc/07/16/18/662071618.db2.gz PLQVKUKLZXCXNT-HNNXBMFYSA-N 1 0 391.313 2.922 20 0 GFADRO O=C(NC[C@@H]1CCC[N@H+](CC2CC2)C1)c1cccnc1I ZINC000857341607 662075291 /nfs/dbraw/zinc/07/52/91/662075291.db2.gz DYBXJTIPRKFKSI-ZDUSSCGKSA-N 1 0 399.276 2.538 20 0 GFADRO Cc1ccn(CC(=O)N2C[C@@H]([NH+](C)C)CCc3cc(Br)ccc32)n1 ZINC000857880089 662093102 /nfs/dbraw/zinc/09/31/02/662093102.db2.gz BMGFXFVXVAZBDW-INIZCTEOSA-N 1 0 391.313 2.864 20 0 GFADRO Cn1cc(CC(=O)N2C[C@@H]([NH+](C)C)CCc3cc(Br)ccc32)cn1 ZINC000857883323 662093704 /nfs/dbraw/zinc/09/37/04/662093704.db2.gz QNJYBOOAXPOVBA-INIZCTEOSA-N 1 0 391.313 2.635 20 0 GFADRO COCO[C@@H](C)c1cc(F)c(C[NH2+]CCC(=O)N(C)C)cc1Br ZINC000858117738 662099351 /nfs/dbraw/zinc/09/93/51/662099351.db2.gz ZFYANXGINIGWIV-NSHDSACASA-N 1 0 391.281 2.838 20 0 GFADRO COCO[C@H](C)c1cc(F)c(C[NH2+][C@H](C)CC(N)=O)cc1Br ZINC000858151047 662101698 /nfs/dbraw/zinc/10/16/98/662101698.db2.gz RGLDFKJWOJXUEL-NXEZZACHSA-N 1 0 377.254 2.623 20 0 GFADRO CN(CCOCC[NH2+][C@@H]1CC[C@@H]2SCCS[C@@H]12)C(=O)OC(C)(C)C ZINC000858500989 662113713 /nfs/dbraw/zinc/11/37/13/662113713.db2.gz VKJNRRBSFAOKOW-ILXRZTDVSA-N 1 0 376.588 2.839 20 0 GFADRO [NH3+]C[C@H]1CN(S(=O)(=O)c2ccc(Cl)nc2Cl)CC[C@@H]1C(F)(F)F ZINC000858622852 662117040 /nfs/dbraw/zinc/11/70/40/662117040.db2.gz AVZPIBAEIRNMLM-YUMQZZPRSA-N 1 0 392.230 2.536 20 0 GFADRO O=S(=O)(/C=C/c1cccc(Cl)c1)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000858643546 662117865 /nfs/dbraw/zinc/11/78/65/662117865.db2.gz DZPRCWTUJKJXHG-JGZYNSJSSA-N 1 0 384.929 2.731 20 0 GFADRO O=C(OCc1ccc(Br)cc1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000859055260 662134241 /nfs/dbraw/zinc/13/42/41/662134241.db2.gz JKHBKYDCQGAIMG-HNNXBMFYSA-N 1 0 383.286 2.740 20 0 GFADRO COC(=O)Nc1ccc(S(=O)(=O)NCCC[N@H+](C)CC(C)C)cc1Cl ZINC000859206317 662144664 /nfs/dbraw/zinc/14/46/64/662144664.db2.gz SIYNNCBIHGYMTB-UHFFFAOYSA-N 1 0 391.921 2.775 20 0 GFADRO C[NH+](C)C1(CNC(=O)c2cc(Br)cnc2F)Cc2ccccc2C1 ZINC000859566359 662168033 /nfs/dbraw/zinc/16/80/33/662168033.db2.gz HNYMOTYLGSAWNA-UHFFFAOYSA-N 1 0 392.272 2.812 20 0 GFADRO CN(C)c1cc(C[NH2+][C@@]2(CO)CCc3cc(Br)ccc3C2)ccn1 ZINC000859574056 662168253 /nfs/dbraw/zinc/16/82/53/662168253.db2.gz GUTINKBXIXMBRC-IBGZPJMESA-N 1 0 390.325 2.920 20 0 GFADRO C[C@H]([NH3+])CN(C)C(=O)Nc1nc2ccc(I)cc2s1 ZINC000859682359 662172238 /nfs/dbraw/zinc/17/22/38/662172238.db2.gz WUKUDPDINBWVII-ZETCQYMHSA-N 1 0 390.250 2.712 20 0 GFADRO COC(=O)Cn1cc(C[N@@H+]2C[C@@H](c3ccc(Br)cc3)C[C@H]2C)nn1 ZINC000859961316 662180428 /nfs/dbraw/zinc/18/04/28/662180428.db2.gz WVVIQFXWTRFNLL-OCCSQVGLSA-N 1 0 393.285 2.592 20 0 GFADRO Cc1cc(NC(=O)N2CCC(C)([NH+]3CCOCC3)CC2)cnc1Br ZINC000860910141 662220091 /nfs/dbraw/zinc/22/00/91/662220091.db2.gz BJOHZETVQRVZKC-UHFFFAOYSA-N 1 0 397.317 2.871 20 0 GFADRO COc1cc(C(=O)OC[C@@]2(C)C[C@H](OC)C[N@@H+]2C)sc1Br ZINC000861351198 662241787 /nfs/dbraw/zinc/24/17/87/662241787.db2.gz SUHGIIJMLDWMDB-LKFCYVNXSA-N 1 0 378.288 2.785 20 0 GFADRO CO[C@@H]1C[N@H+](C)[C@@](C)(COC(=O)c2c3ccc(Br)cc3nn2C)C1 ZINC000861357730 662242360 /nfs/dbraw/zinc/24/23/60/662242360.db2.gz TUDOQHSJUBNMJR-YVEFUNNKSA-N 1 0 396.285 2.602 20 0 GFADRO [NH3+]C[C@@H]1CN(C(=O)N[C@@H]2CC[C@@H]3SCCS[C@H]23)CC[C@@H]1C(F)(F)F ZINC000861615775 662251099 /nfs/dbraw/zinc/25/10/99/662251099.db2.gz WSEAPCWMXDWYHT-RXGFPQBGSA-N 1 0 383.505 2.535 20 0 GFADRO COc1ccc(C[N@@H+]2CCCN(Cc3cn(C)nc3Br)CC2)cc1 ZINC000862211045 662273347 /nfs/dbraw/zinc/27/33/47/662273347.db2.gz BSBCRRXRPXJWSQ-UHFFFAOYSA-N 1 0 393.329 2.899 20 0 GFADRO CNC(=O)CC[N@H+](C)Cc1cc(Br)c([C@H](C)OCOC)cc1F ZINC000862238900 662276083 /nfs/dbraw/zinc/27/60/83/662276083.db2.gz NZRDCFWUONJDJH-NSHDSACASA-N 1 0 391.281 2.838 20 0 GFADRO COc1ncc(Br)cc1CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000862826658 662302298 /nfs/dbraw/zinc/30/22/98/662302298.db2.gz OYSFDWKNMSWFAM-INIZCTEOSA-N 1 0 388.281 2.681 20 0 GFADRO CCC1([NH+]2CCOCC2)CCN(C(=O)c2cccnc2Br)CC1 ZINC000863491852 662334755 /nfs/dbraw/zinc/33/47/55/662334755.db2.gz AGBGSTUGLIMDFS-UHFFFAOYSA-N 1 0 382.302 2.561 20 0 GFADRO C[NH+](C)CC[C@@](C)(O)CNC(=O)C(C)(C)[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000863908069 662349516 /nfs/dbraw/zinc/34/95/16/662349516.db2.gz MFTYNAJFGXWFBG-CRAIPNDOSA-N 1 0 391.339 2.872 20 0 GFADRO C/C(=C/c1ccc(Br)o1)C(=O)N1CCOC2(CC[NH+](C)CC2)C1 ZINC000864064811 662353149 /nfs/dbraw/zinc/35/31/49/662353149.db2.gz BOTDOFCTUYGAOV-QBFSEMIESA-N 1 0 383.286 2.769 20 0 GFADRO C[NH+]1C[C@]2(C)CN(C(=O)[C@@]3(C)CC3(Br)Br)C[C@@]2(C)C1 ZINC000864077643 662353761 /nfs/dbraw/zinc/35/37/61/662353761.db2.gz PLADVDCWTCMLHJ-JHJVBQTASA-N 1 0 394.151 2.683 20 0 GFADRO Cc1cccc(Nc2nnc(SCC(=O)NC3CC[NH+](C)CC3)s2)c1 ZINC000865344287 662414825 /nfs/dbraw/zinc/41/48/25/662414825.db2.gz DIKQYRCRNCWTRX-UHFFFAOYSA-N 1 0 377.539 2.893 20 0 GFADRO COc1ncc(Br)cc1C[NH2+]CCc1nnc2n1CCCCC2 ZINC000865409798 662419456 /nfs/dbraw/zinc/41/94/56/662419456.db2.gz VFHNZBXOWPJCTP-UHFFFAOYSA-N 1 0 380.290 2.503 20 0 GFADRO Cc1ccnc(CNC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)c1Br ZINC000865411350 662419658 /nfs/dbraw/zinc/41/96/58/662419658.db2.gz BPZRFDYJYCHFLT-QGZVFWFLSA-N 1 0 390.325 2.661 20 0 GFADRO O=S(=O)(c1ccc(C[NH2+]Cc2cnc(Cl)c(F)c2)cc1)N1CCCC1 ZINC000865416942 662419876 /nfs/dbraw/zinc/41/98/76/662419876.db2.gz RLLONCYAJNFOGI-UHFFFAOYSA-N 1 0 383.876 2.948 20 0 GFADRO CC(C)(C)c1csc(C[NH2+]CC2CCN(S(=O)(=O)C(F)F)CC2)n1 ZINC000865460025 662422883 /nfs/dbraw/zinc/42/28/83/662422883.db2.gz MTWOAHHTCNCNIJ-UHFFFAOYSA-N 1 0 381.514 2.795 20 0 GFADRO O=S(=O)(NCC[NH2+]Cc1cnc(Cl)c(F)c1)c1ccc(Cl)s1 ZINC000865508945 662425907 /nfs/dbraw/zinc/42/59/07/662425907.db2.gz UKTLUASGBJZRTE-UHFFFAOYSA-N 1 0 384.285 2.657 20 0 GFADRO CC(C)[C@H]([NH2+]Cc1ccc(Cl)c(S(N)(=O)=O)c1)[C@@H](O)c1ccccc1 ZINC000865547093 662428315 /nfs/dbraw/zinc/42/83/15/662428315.db2.gz NYEMPESNSWOOGG-ROUUACIJSA-N 1 0 382.913 2.835 20 0 GFADRO C[C@](CO)(Cc1ccc(Br)cc1)[NH2+]Cc1cnc2cnccn12 ZINC000865715392 662438504 /nfs/dbraw/zinc/43/85/04/662438504.db2.gz RCXMVQXGEXMSNN-QGZVFWFLSA-N 1 0 375.270 2.575 20 0 GFADRO C[C@@](CO)(Cc1ccc(Cl)cc1)[NH2+]Cc1cccc(NS(C)(=O)=O)c1 ZINC000865771164 662442297 /nfs/dbraw/zinc/44/22/97/662442297.db2.gz GHWCPCUCRVUGSZ-SFHVURJKSA-N 1 0 382.913 2.795 20 0 GFADRO C[N@@H+]1CCC[C@H]1CNC(=O)c1c(F)ccc(I)c1Cl ZINC000865808250 662444656 /nfs/dbraw/zinc/44/46/56/662444656.db2.gz FHKPVFIJCFXBQR-QMMMGPOBSA-N 1 0 396.631 2.908 20 0 GFADRO Cc1cc(C[NH2+]Cc2ccc(CN3CCNC3=O)cc2)ncc1Br ZINC000865815325 662445171 /nfs/dbraw/zinc/44/51/71/662445171.db2.gz YVZFDJAETBETQS-UHFFFAOYSA-N 1 0 389.297 2.968 20 0 GFADRO Cn1nc(Br)c2c1ncnc2N1CCC(C)([NH+]2CCCC2)CC1 ZINC000866022208 662456928 /nfs/dbraw/zinc/45/69/28/662456928.db2.gz RMDCQAVRDFOKBK-UHFFFAOYSA-N 1 0 379.306 2.581 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)c2cc(Br)ncc2Br)CC[N@@H+]1C ZINC000866072676 662459458 /nfs/dbraw/zinc/45/94/58/662459458.db2.gz MFNYQJJKUUVGRY-BDAKNGLRSA-N 1 0 391.107 2.819 20 0 GFADRO Cc1cc(Br)cc2c1[C@@H]([NH2+]C[C@@]13COC(=O)N1CCOC3)CC2 ZINC000866521335 662478707 /nfs/dbraw/zinc/47/87/07/662478707.db2.gz LOUYKYQPNSUOHJ-WMLDXEAASA-N 1 0 381.270 2.556 20 0 GFADRO CNS(=O)(=O)c1ccc(CC[NH2+][C@H](C)c2ccc(Br)cn2)cc1 ZINC000866580023 662481531 /nfs/dbraw/zinc/48/15/31/662481531.db2.gz WWYGSSCVRYQVRG-GFCCVEGCSA-N 1 0 398.326 2.646 20 0 GFADRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3cc(Br)cn4ccnc34)CC[C@H]21 ZINC000866710934 662491076 /nfs/dbraw/zinc/49/10/76/662491076.db2.gz XZERYCDWNVAEGS-SWLSCSKDSA-N 1 0 377.286 2.653 20 0 GFADRO CS(=O)(=O)c1ccc(-c2nc(CN3CCC[C@@H]4[NH2+]CC[C@H]43)cs2)cc1 ZINC000866725881 662492136 /nfs/dbraw/zinc/49/21/36/662492136.db2.gz QZHNVNWEDSBVHP-DLBZAZTESA-N 1 0 377.535 2.540 20 0 GFADRO Cc1ccc(Br)c(CS(=O)(=O)N2CCC3(C2)CC[NH2+]CC3)c1 ZINC000866759616 662495295 /nfs/dbraw/zinc/49/52/95/662495295.db2.gz GWRYJBSDWRLQEI-UHFFFAOYSA-N 1 0 387.343 2.663 20 0 GFADRO C[NH+](C)C[C@H]1CCN(S(=O)(=O)c2oc3ccccc3c2Br)C1 ZINC000866788929 662498693 /nfs/dbraw/zinc/49/86/93/662498693.db2.gz XMUGAMOMTDJNTQ-LLVKDONJSA-N 1 0 387.299 2.768 20 0 GFADRO Cc1c(Br)cccc1CS(=O)(=O)N[C@@H](C)C1CC[NH2+]CC1 ZINC000866812979 662501053 /nfs/dbraw/zinc/50/10/53/662501053.db2.gz UVZSRNMMUVCPBD-LBPRGKRZSA-N 1 0 375.332 2.565 20 0 GFADRO C[C@H](NS(=O)(=O)c1cc(Cl)ccc1Br)C1CC[NH2+]CC1 ZINC000866813599 662501193 /nfs/dbraw/zinc/50/11/93/662501193.db2.gz VCFJHJKJFDBEMB-VIFPVBQESA-N 1 0 381.723 2.769 20 0 GFADRO COC(=O)c1cc(Cl)ccc1S(=O)(=O)N1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866814755 662501414 /nfs/dbraw/zinc/50/14/14/662501414.db2.gz GGMWIQMNJFSVFW-QGZVFWFLSA-N 1 0 388.917 2.512 20 0 GFADRO O=S(=O)(c1oc2ccccc2c1Br)N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000866820001 662501860 /nfs/dbraw/zinc/50/18/60/662501860.db2.gz PAUVBEOZINSPBD-DGCLKSJQSA-N 1 0 399.310 2.958 20 0 GFADRO C/C(=C/c1ccc(Br)o1)C(=O)Nc1ccc(=O)n(CC[NH+](C)C)c1 ZINC000866976283 662513759 /nfs/dbraw/zinc/51/37/59/662513759.db2.gz RABGBMYBDOTLOB-BENRWUELSA-N 1 0 394.269 2.807 20 0 GFADRO COc1ccc2nc(Cl)ccc2c1S(=O)(=O)N1CC[C@@H]([NH+](C)C)[C@@H]1C ZINC000867310015 662541283 /nfs/dbraw/zinc/54/12/83/662541283.db2.gz VCNKGFSTXGMSKI-SMDDNHRTSA-N 1 0 383.901 2.610 20 0 GFADRO C[N@@H+]1CC[C@](O)(CNC(=O)c2cnc(-c3c(Cl)cccc3Cl)s2)C1 ZINC000867420048 662548844 /nfs/dbraw/zinc/54/88/44/662548844.db2.gz RYRLVFQQINQTMN-INIZCTEOSA-N 1 0 386.304 2.913 20 0 GFADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)/C=C/c1ccsc1C(F)(F)F ZINC000867479736 662552956 /nfs/dbraw/zinc/55/29/56/662552956.db2.gz UHQXZHKDAPZCJS-OOPCZODUSA-N 1 0 375.460 2.922 20 0 GFADRO COCc1cc(Cl)cc(S(=O)(=O)N2CCC3(CC2)CC[NH+](C)CC3)c1 ZINC000867618323 662563221 /nfs/dbraw/zinc/56/32/21/662563221.db2.gz DDMVUHNWJXRGAX-UHFFFAOYSA-N 1 0 386.945 2.983 20 0 GFADRO Cc1sc(Br)cc1S(=O)(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000867811336 662578848 /nfs/dbraw/zinc/57/88/48/662578848.db2.gz BGGRGVWLODPVIC-WDEREUQCSA-N 1 0 379.345 2.534 20 0 GFADRO CN(Cc1ccc2c(c1)OCCO2)C(=O)[C@H]([NH3+])c1cccc(Br)c1 ZINC000867954282 662589268 /nfs/dbraw/zinc/58/92/68/662589268.db2.gz KVZKEMIWQWSGEA-QGZVFWFLSA-N 1 0 391.265 2.879 20 0 GFADRO CC(=O)N[C@H](C(=O)N[C@](C)(C[NH3+])CC(C)C)c1cccc(Br)c1 ZINC000867960736 662589631 /nfs/dbraw/zinc/58/96/31/662589631.db2.gz PDDJSIRYOPSHFB-RDJZCZTQSA-N 1 0 384.318 2.506 20 0 GFADRO CCc1nn(C)c(CC)c1CNC(=O)[C@@H]([NH3+])c1cccc(Br)c1 ZINC000867978341 662590262 /nfs/dbraw/zinc/59/02/62/662590262.db2.gz YJWUPGFXAACTQR-INIZCTEOSA-N 1 0 379.302 2.624 20 0 GFADRO [NH3+]C[C@@H](NC(=O)c1ccc(OC(F)(F)F)cc1Br)C(F)(F)F ZINC000867982862 662590518 /nfs/dbraw/zinc/59/05/18/662590518.db2.gz HGQKBJCEQSSURI-MRVPVSSYSA-N 1 0 395.097 2.967 20 0 GFADRO C[C@H](NC(=O)c1c(F)cccc1I)C1CC[NH2+]CC1 ZINC000868010159 662591332 /nfs/dbraw/zinc/59/13/32/662591332.db2.gz QQVVQRWNJBXBHR-VIFPVBQESA-N 1 0 376.213 2.548 20 0 GFADRO COCCC1(NC(=O)c2ccc(Br)cc2Cl)CC[NH2+]CC1 ZINC000868040236 662592188 /nfs/dbraw/zinc/59/21/88/662592188.db2.gz CNQWGEZQKQHUQC-UHFFFAOYSA-N 1 0 375.694 2.991 20 0 GFADRO C[C@]1([NH3+])CCN(C(=O)Cc2ccc(Br)c(Br)c2)C1 ZINC000868080098 662593924 /nfs/dbraw/zinc/59/39/24/662593924.db2.gz NUKNEZBQZUQIFM-ZDUSSCGKSA-N 1 0 376.092 2.704 20 0 GFADRO O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)Nc1cc2c(cc1Br)OCCO2 ZINC000868095853 662594528 /nfs/dbraw/zinc/59/45/28/662594528.db2.gz YGPRFRJDMDWDNN-ZSBIGDGJSA-N 1 0 396.285 2.872 20 0 GFADRO Cc1cc(I)cc(NC(=O)N2CCC[C@H]3[NH2+]CC[C@@H]32)c1 ZINC000868157451 662597020 /nfs/dbraw/zinc/59/70/20/662597020.db2.gz DXPFLLQZYMTPAY-KGLIPLIRSA-N 1 0 385.249 2.958 20 0 GFADRO O=C(NCc1ncc(Br)s1)Nc1ccc2c(c1)OCC[NH2+]C2 ZINC000868172339 662597675 /nfs/dbraw/zinc/59/76/75/662597675.db2.gz JSYHXSDIINSDPA-UHFFFAOYSA-N 1 0 383.271 2.709 20 0 GFADRO [NH3+][C@@H]1C[C@H]1c1ccc(NC(=O)C(=O)NCc2cc(Br)cs2)cc1 ZINC000868228114 662599117 /nfs/dbraw/zinc/59/91/17/662599117.db2.gz CDLJBHSGVRAXKV-UONOGXRCSA-N 1 0 394.294 2.580 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)N[C@@H]2COc3cccc(Br)c3C2)CC[N@@H+]1C ZINC000868374100 662603572 /nfs/dbraw/zinc/60/35/72/662603572.db2.gz NFVDNHYQPGMTOV-AGIUHOORSA-N 1 0 382.302 2.535 20 0 GFADRO CC(C)n1ncc(C(=O)N2CCC([N@@H+]3CCOC[C@H]3C)CC2)c1Br ZINC000868479054 662606719 /nfs/dbraw/zinc/60/67/19/662606719.db2.gz QRTLPHFVKLZVSX-CYBMUJFWSA-N 1 0 399.333 2.552 20 0 GFADRO O=C(NCCC1SCCS1)NCc1ccnc(N2CCSCC2)c1 ZINC000868788712 662619163 /nfs/dbraw/zinc/61/91/63/662619163.db2.gz UQWKNVXHTJPFOH-UHFFFAOYSA-N 1 0 384.596 2.630 20 0 GFADRO Cc1ccnc(N2CCN(C(=O)NCCSCCC(F)(F)F)CC2)c1 ZINC000869063030 662628322 /nfs/dbraw/zinc/62/83/22/662628322.db2.gz IDIOLBNOSCITCQ-UHFFFAOYSA-N 1 0 376.448 2.907 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)c2cc(Br)cn3ccnc23)C1 ZINC000869226754 662636282 /nfs/dbraw/zinc/63/62/82/662636282.db2.gz ZSAOHPPXJGCQQS-LBPRGKRZSA-N 1 0 379.302 2.947 20 0 GFADRO Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC000870853401 662703542 /nfs/dbraw/zinc/70/35/42/662703542.db2.gz BDVHFKJGINUSEM-MQMHXKEQSA-N 1 0 382.302 2.672 20 0 GFADRO CCN1CCc2nc(NC(=O)c3csc(C4CC[NH2+]CC4)n3)sc2C1 ZINC000870861437 662703872 /nfs/dbraw/zinc/70/38/72/662703872.db2.gz WCJTUXXRIIFNDG-UHFFFAOYSA-N 1 0 377.539 2.697 20 0 GFADRO C[C@@H](NC(=O)[C@H]1CC[C@@H]([NH3+])CC1)c1cc2c(cc1Br)OCCO2 ZINC000870870338 662704135 /nfs/dbraw/zinc/70/41/35/662704135.db2.gz PUZCRZFEBQLFTD-UTUOFQBUSA-N 1 0 383.286 2.915 20 0 GFADRO COc1cc(CNC(=O)CCC23CC(C2)C[NH2+]3)cc(Br)c1OC ZINC000870876863 662704383 /nfs/dbraw/zinc/70/43/83/662704383.db2.gz PNZXDVONHFZRFH-UHFFFAOYSA-N 1 0 383.286 2.615 20 0 GFADRO CCCCNC(=O)C1CCN(C(=O)[C@H]([NH3+])c2cccc(Br)c2)CC1 ZINC000870882604 662704612 /nfs/dbraw/zinc/70/46/12/662704612.db2.gz PYRZUKJDEPWCID-MRXNPFEDSA-N 1 0 396.329 2.604 20 0 GFADRO O=C([C@H]1[C@@H]2c3cc(Br)ccc3C[C@H]12)N1CCC2(CC[NH2+]C2)CC1 ZINC000870913480 662707887 /nfs/dbraw/zinc/70/78/87/662707887.db2.gz BWLWQVIFRXIWDB-GVDBMIGSSA-N 1 0 375.310 2.937 20 0 GFADRO CC1(C)Cc2n[nH]cc2CN(C(=O)[C@@H]([NH3+])c2cccc(Br)c2)C1 ZINC000870958660 662711416 /nfs/dbraw/zinc/71/14/16/662711416.db2.gz ZOYFHJSDQGVZRB-HNNXBMFYSA-N 1 0 377.286 2.783 20 0 GFADRO CC(C)[NH+]1CCC(CCNC(=O)CS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000870960042 662711488 /nfs/dbraw/zinc/71/14/88/662711488.db2.gz HWIUZGHKTHUYDA-UHFFFAOYSA-N 1 0 386.945 2.740 20 0 GFADRO O=C(C[C@H]1Sc2ccc(Cl)cc2NC1=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000870976428 662712084 /nfs/dbraw/zinc/71/20/84/662712084.db2.gz DHENOSKGMOFGQQ-QZDOHJIMSA-N 1 0 379.913 2.790 20 0 GFADRO CC(C)CC(=O)N1CCCN(C(=O)[C@@H]([NH3+])c2cccc(Br)c2)CC1 ZINC000871016811 662712908 /nfs/dbraw/zinc/71/29/08/662712908.db2.gz ILPBGZLHVWGIFG-KRWDZBQOSA-N 1 0 396.329 2.556 20 0 GFADRO O=c1c2cnn(C3CC[NH2+]CC3)c2ncn1Cc1ccc(Cl)cc1Cl ZINC000871675169 662730995 /nfs/dbraw/zinc/73/09/95/662730995.db2.gz OELISAUBJDLULL-UHFFFAOYSA-N 1 0 378.263 2.873 20 0 GFADRO Cc1ccc(Cl)c(S(=O)(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)c1Cl ZINC000871810610 662734940 /nfs/dbraw/zinc/73/49/40/662734940.db2.gz OSJUKAVQJKKMEE-LBPRGKRZSA-N 1 0 393.336 2.739 20 0 GFADRO [NH3+]C[C@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)s2)C[C@@H]1C(F)(F)F ZINC000871812879 662735152 /nfs/dbraw/zinc/73/51/52/662735152.db2.gz DEWGHFODTMMRBU-BQBZGAKWSA-N 1 0 382.351 2.525 20 0 GFADRO C[C@@H]([NH2+][C@@H](C)c1ccnn1C)C(=O)Nc1ccc(I)cc1 ZINC000871927180 662742925 /nfs/dbraw/zinc/74/29/25/662742925.db2.gz MRMFPKGWUYMHIS-WDEREUQCSA-N 1 0 398.248 2.703 20 0 GFADRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(I)cc1)c1ccnn1C ZINC000871927177 662742952 /nfs/dbraw/zinc/74/29/52/662742952.db2.gz MRMFPKGWUYMHIS-MNOVXSKESA-N 1 0 398.248 2.703 20 0 GFADRO O[C@H](CN[C@@H](c1cccc(Br)c1)[C@H]1CCOC1)C[NH+]1CCCC1 ZINC000872027970 662754155 /nfs/dbraw/zinc/75/41/55/662754155.db2.gz OPQPZXYOFXTQEA-JQHSSLGASA-N 1 0 383.330 2.573 20 0 GFADRO CCNC(=O)N1CC[C@H]([NH2+][C@@H](c2cccc(Br)c2)[C@H]2CCOC2)C1 ZINC000872049966 662754677 /nfs/dbraw/zinc/75/46/77/662754677.db2.gz XNZFVPXFMJITSP-XIRDDKMYSA-N 1 0 396.329 2.920 20 0 GFADRO C[C@H](C[NH2+][C@H](c1cccc(Br)c1)[C@H]1CCOC1)S(C)(=O)=O ZINC000872051155 662754786 /nfs/dbraw/zinc/75/47/86/662754786.db2.gz HQDKKAGLAKRVBV-OSAQELSMSA-N 1 0 376.316 2.549 20 0 GFADRO O=S(=O)(CC[NH2+][C@H](c1cccc(Br)c1)[C@@H]1CCOC1)C1CC1 ZINC000872081565 662755659 /nfs/dbraw/zinc/75/56/59/662755659.db2.gz ZPWQRYSUHADHBI-CZUORRHYSA-N 1 0 388.327 2.694 20 0 GFADRO CCC1([NH+](C)C)CCN(Cn2nc(C(=O)OC)c(Br)c2C)CC1 ZINC000872671837 662784601 /nfs/dbraw/zinc/78/46/01/662784601.db2.gz XPGFVCLVFKFNDR-UHFFFAOYSA-N 1 0 387.322 2.504 20 0 GFADRO CC(C)[C@H]1CN(CN2CC[C@@H](c3cccc(Br)c3)C2=O)CC[N@@H+]1C ZINC000872737783 662787171 /nfs/dbraw/zinc/78/71/71/662787171.db2.gz TVOZWHAKDZDLEM-ZWKOTPCHSA-N 1 0 394.357 2.995 20 0 GFADRO C[NH+](C)CCOc1ccc(CCNC(=O)NCc2ncc(Cl)s2)cc1 ZINC000872875573 662792362 /nfs/dbraw/zinc/79/23/62/662792362.db2.gz CBBXKYZUHQXWOB-UHFFFAOYSA-N 1 0 382.917 2.779 20 0 GFADRO CN(CCCCCC[NH3+])C(=O)C(=O)Nc1cc(Br)c(F)cc1F ZINC000873111212 662800199 /nfs/dbraw/zinc/80/01/99/662800199.db2.gz IAGCPJRSFTXWBV-UHFFFAOYSA-N 1 0 392.244 2.643 20 0 GFADRO Cn1c2ccccc2c(Br)c1C[NH2+]CC1(OCCO)CCOCC1 ZINC000873122732 662800485 /nfs/dbraw/zinc/80/04/85/662800485.db2.gz VAFXGZSQIGXFHY-UHFFFAOYSA-N 1 0 397.313 2.589 20 0 GFADRO O=C(NCc1ncc(Cl)s1)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000873175285 662802860 /nfs/dbraw/zinc/80/28/60/662802860.db2.gz GOWDDWWRPFKRMQ-UHFFFAOYSA-N 1 0 386.949 2.831 20 0 GFADRO COCCC1(NCc2cnc3c(C)cc(Br)cn23)CC[NH2+]CC1 ZINC000873224607 662803934 /nfs/dbraw/zinc/80/39/34/662803934.db2.gz HRLKHODSVUQMHF-UHFFFAOYSA-N 1 0 381.318 2.654 20 0 GFADRO COc1cc(Br)c(CN2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1O ZINC000873227810 662804265 /nfs/dbraw/zinc/80/42/65/662804265.db2.gz MDEPAKPULBANHS-UWVGGRQHSA-N 1 0 383.208 2.732 20 0 GFADRO CCOC(=O)c1c(C)csc1NC(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000873314995 662805215 /nfs/dbraw/zinc/80/52/15/662805215.db2.gz ZIXNZBCDVWPZOA-ZJUUUORDSA-N 1 0 379.404 2.834 20 0 GFADRO COc1cc(Br)cc(NC(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)c1 ZINC000873314277 662805256 /nfs/dbraw/zinc/80/52/56/662805256.db2.gz MODWHPHUGQKPQI-HNNXBMFYSA-N 1 0 398.301 2.738 20 0 GFADRO COC(=O)c1cc(NC(=O)N[C@@]23CCC[C@@H]2[NH2+]CC3)ccc1Br ZINC000873314331 662805261 /nfs/dbraw/zinc/80/52/61/662805261.db2.gz HPRDOUGVGVQGTL-XJKSGUPXSA-N 1 0 382.258 2.642 20 0 GFADRO Cc1ccc(NC(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)c(Br)n1 ZINC000873312685 662805266 /nfs/dbraw/zinc/80/52/66/662805266.db2.gz DHAGQTFJMVHJDZ-RKDXNWHRSA-N 1 0 381.196 2.753 20 0 GFADRO Cc1nc(NC(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)ccc1Br ZINC000873318581 662805295 /nfs/dbraw/zinc/80/52/95/662805295.db2.gz CZLBQZDRDVRWDK-RKDXNWHRSA-N 1 0 381.196 2.753 20 0 GFADRO Cc1ccc(I)cc1NC(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000873319553 662805427 /nfs/dbraw/zinc/80/54/27/662805427.db2.gz KTCDTCZLSMLMHN-XHDPSFHLSA-N 1 0 385.249 2.673 20 0 GFADRO Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)/C=C1\SCC(=O)N1C ZINC000874261180 662826981 /nfs/dbraw/zinc/82/69/81/662826981.db2.gz OEXHMAAUWBXHKV-ZDLGFXPLSA-N 1 0 377.535 2.529 20 0 GFADRO CN(C)Cc1ccc(NC(=O)C(=O)N[C@H]2CC23CCC3)cc1Br ZINC000874354322 662829920 /nfs/dbraw/zinc/82/99/20/662829920.db2.gz GCKGELVGKGVZGI-AWEZNQCLSA-N 1 0 380.286 2.508 20 0 GFADRO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)c1cc(=O)c2cc(Br)ccc2o1 ZINC000874825173 662837391 /nfs/dbraw/zinc/83/73/91/662837391.db2.gz OKSFUSWUWAOWSQ-UONOGXRCSA-N 1 0 391.265 2.864 20 0 GFADRO CNc1cc(I)ccc1C(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2C ZINC000874825576 662837418 /nfs/dbraw/zinc/83/74/18/662837418.db2.gz QHLHTHIAPFLMDG-CABCVRRESA-N 1 0 399.276 2.642 20 0 GFADRO Cc1ccc(C(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3C)cc1I ZINC000874837642 662838033 /nfs/dbraw/zinc/83/80/33/662838033.db2.gz IUMNBLKRKCHOMW-GJZGRUSLSA-N 1 0 384.261 2.908 20 0 GFADRO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)c1cc(F)ccc1I ZINC000874840744 662838086 /nfs/dbraw/zinc/83/80/86/662838086.db2.gz RBKCZGUSVODYAR-ZIAGYGMSSA-N 1 0 388.224 2.739 20 0 GFADRO C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2C ZINC000874844375 662838328 /nfs/dbraw/zinc/83/83/28/662838328.db2.gz SXFGKAIOEBRHHW-CQDKDKBSSA-N 1 0 384.307 2.807 20 0 GFADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@H]2C(=O)Nc2c(F)cccc2Br)cn1 ZINC000875427102 662845805 /nfs/dbraw/zinc/84/58/05/662845805.db2.gz VSGHFRITQNIYHO-OLZOCXBDSA-N 1 0 395.276 2.996 20 0 GFADRO Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)OCc2ccccc2Br)cn1 ZINC000875435277 662846069 /nfs/dbraw/zinc/84/60/69/662846069.db2.gz UFTNUYCMNAWHGD-JKSUJKDBSA-N 1 0 392.297 2.961 20 0 GFADRO C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)N(C)CC(=O)Nc1ccc(Br)cc1C ZINC000876557628 662862655 /nfs/dbraw/zinc/86/26/55/662862655.db2.gz JITNDGUWARNYTC-HAAFXLEYSA-N 1 0 394.313 2.566 20 0 GFADRO O=C(/C=C/[C@@H]1CCC[NH2+]C1)N1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000876615453 662863535 /nfs/dbraw/zinc/86/35/35/662863535.db2.gz FOOWMSKVLXTLAR-FSLDBXFBSA-N 1 0 379.298 2.905 20 0 GFADRO O=C(N1CCO[C@H](c2ccccc2Br)C1)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000876628345 662863778 /nfs/dbraw/zinc/86/37/78/662863778.db2.gz PMLRJOIJYITZNT-JZXOWHBKSA-N 1 0 379.298 2.881 20 0 GFADRO [NH3+][C@H]1CC[C@@H](C(=O)Nc2ncn(Cc3cccc(Br)c3)n2)CC1 ZINC000876631596 662863782 /nfs/dbraw/zinc/86/37/82/662863782.db2.gz KPFVPEZQKQDDOL-XBXGTLAGSA-N 1 0 378.274 2.545 20 0 GFADRO COc1cc(Br)c(CNC(=O)/C=C/[C@@H]2CCC[NH2+]C2)cc1OC ZINC000876643450 662864177 /nfs/dbraw/zinc/86/41/77/662864177.db2.gz YLQAWZFLJUIVBE-FYJFLYSWSA-N 1 0 383.286 2.638 20 0 GFADRO O=C(/C=C/[C@H]1CCC[NH2+]C1)Nc1cc(Br)ccc1N1CCOCC1 ZINC000876713154 662865226 /nfs/dbraw/zinc/86/52/26/662865226.db2.gz MKHBZNDCXFMASW-BOTMBNHJSA-N 1 0 394.313 2.780 20 0 GFADRO Cc1nc(C2CC[NH2+]CC2)sc1C(=O)NCCCN(C)CC(F)(F)F ZINC000876728421 662865527 /nfs/dbraw/zinc/86/55/27/662865527.db2.gz LRGGTUSZDHXUIV-UHFFFAOYSA-N 1 0 378.464 2.533 20 0 GFADRO Cc1nc(C2CC[NH2+]CC2)sc1C(=O)N1CCc2cc(Cl)nnc2C1 ZINC000876937139 662868398 /nfs/dbraw/zinc/86/83/98/662868398.db2.gz RBYCJRBOSIIIDS-UHFFFAOYSA-N 1 0 377.901 2.560 20 0 GFADRO C[C@]12CCN(C(=O)[C@H]3C[C@H]([NH3+])C3(C)C)C[C@H]1C2(Br)Br ZINC000876959619 662868642 /nfs/dbraw/zinc/86/86/42/662868642.db2.gz WKYFHECENNNIDX-DNJQJEMRSA-N 1 0 394.151 2.714 20 0 GFADRO CCS(=O)(=O)CC[NH2+][C@@H]1CCN(C)[C@H](c2ccc(Br)cc2)C1 ZINC000877005599 662869513 /nfs/dbraw/zinc/86/95/13/662869513.db2.gz IWWLTYHQFPZILK-CVEARBPZSA-N 1 0 389.359 2.609 20 0 GFADRO CCN1CC[NH+](C[C@H](C)CNCc2nc(Cl)ccc2Br)CC1 ZINC000877015755 662869704 /nfs/dbraw/zinc/86/97/04/662869704.db2.gz BIQKGERBKAIZGX-CYBMUJFWSA-N 1 0 389.769 2.861 20 0 GFADRO [NH3+][C@H](C(=O)N1CCc2nc(C3CC3)ncc2C1)c1cccc(Br)c1 ZINC000877034223 662869976 /nfs/dbraw/zinc/86/99/76/662869976.db2.gz BSSJFCPSVUCRNK-INIZCTEOSA-N 1 0 387.281 2.701 20 0 GFADRO COC(=O)c1ccc(C[NH2+][C@@H]2CCC[C@H](C(=O)N(C)C)C2)cc1Br ZINC000877044492 662870212 /nfs/dbraw/zinc/87/02/12/662870212.db2.gz AVDHKCURXAEOFX-UONOGXRCSA-N 1 0 397.313 2.972 20 0 GFADRO Cc1cc(COc2ccc(C(=O)N(C)C[C@H](C)[NH3+])cc2Br)on1 ZINC000877097645 662871024 /nfs/dbraw/zinc/87/10/24/662871024.db2.gz FQNATDVQWMLPIF-JTQLQIEISA-N 1 0 382.258 2.744 20 0 GFADRO CC1(C)CC[C@H](CNC(=O)c2cc(=O)c3cc(Br)ccc3[nH]2)[NH2+]C1 ZINC000877156288 662871795 /nfs/dbraw/zinc/87/17/95/662871795.db2.gz UFNIVPMUNJUTKY-GFCCVEGCSA-N 1 0 392.297 2.799 20 0 GFADRO [NH3+]CC12CCC(CC1)N2C(=O)c1nn(-c2ccc(F)cc2)cc1Br ZINC000877189784 662872085 /nfs/dbraw/zinc/87/20/85/662872085.db2.gz SQEQODBJUXYYMS-UHFFFAOYSA-N 1 0 393.260 2.870 20 0 GFADRO [NH3+]CC12CCC(CC1)N2C(=O)[C@@H]1CCN(c2cc(Cl)ccc2Cl)C1=O ZINC000877190330 662872163 /nfs/dbraw/zinc/87/21/63/662872163.db2.gz AMDSIBRRSPAHPP-YNAXMUEKSA-N 1 0 382.291 2.829 20 0 GFADRO O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1c(F)cccc1I ZINC000877245292 662872377 /nfs/dbraw/zinc/87/23/77/662872377.db2.gz FJVUJZIHALOKLO-JGPRNRPPSA-N 1 0 388.224 2.691 20 0 GFADRO COc1ccc([C@@H]2CN(C(=O)c3cc(Br)cnc3F)C[C@H]2[NH3+])cc1 ZINC000877240016 662872401 /nfs/dbraw/zinc/87/24/01/662872401.db2.gz XODSTBVQEVKMDJ-LSDHHAIUSA-N 1 0 394.244 2.559 20 0 GFADRO COC[C@@H](NC(=O)[C@@]1(C(F)(F)F)CC[NH2+]C1)c1cccc(Br)c1 ZINC000877263769 662872682 /nfs/dbraw/zinc/87/26/82/662872682.db2.gz YBBKIHMSDUNSKB-TZMCWYRMSA-N 1 0 395.219 2.795 20 0 GFADRO COCCC1(NC(=O)c2cc(F)c(Br)cc2F)CC[NH2+]CC1 ZINC000877268741 662872901 /nfs/dbraw/zinc/87/29/01/662872901.db2.gz QGOBAKHGUMVPFX-UHFFFAOYSA-N 1 0 377.229 2.616 20 0 GFADRO O=C(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)c1ccc(Br)c(F)c1F ZINC000877326746 662873612 /nfs/dbraw/zinc/87/36/12/662873612.db2.gz FPPVWNXCTSTLJJ-JTQLQIEISA-N 1 0 389.240 2.616 20 0 GFADRO O=C(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)c1cccc(Br)c1Cl ZINC000877328886 662873795 /nfs/dbraw/zinc/87/37/95/662873795.db2.gz MAAISYWUHQKZRI-NSHDSACASA-N 1 0 387.705 2.991 20 0 GFADRO O=C(NC[C@H]1Cc2ccccc2C[NH2+]1)c1cc2c(cc1Br)OCO2 ZINC000877340214 662873931 /nfs/dbraw/zinc/87/39/31/662873931.db2.gz KKSMBGAPYGVBRZ-CYBMUJFWSA-N 1 0 389.249 2.622 20 0 GFADRO CC(C)(C)n1ncc(C(=O)NC[C@H]2Cc3ccccc3C[NH2+]2)c1Br ZINC000877339614 662873935 /nfs/dbraw/zinc/87/39/35/662873935.db2.gz DHZVMZADNMWUHE-CQSZACIVSA-N 1 0 391.313 2.845 20 0 GFADRO COc1cc(C(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)ccc1Br ZINC000877354202 662874089 /nfs/dbraw/zinc/87/40/89/662874089.db2.gz CNFRBAFBVIFQSI-ZJUUUORDSA-N 1 0 381.192 2.667 20 0 GFADRO CC(C)(C)n1ncc(C(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)c1Br ZINC000877355025 662874206 /nfs/dbraw/zinc/87/42/06/662874206.db2.gz FWAWDIGKIONEKC-SCZZXKLOSA-N 1 0 397.239 2.610 20 0 GFADRO [NH3+]C[C@H]1CN(C(=O)Cc2csc(CCC(F)(F)F)n2)C[C@@H]1C(F)(F)F ZINC000877356540 662874361 /nfs/dbraw/zinc/87/43/61/662874361.db2.gz SHMWGBRYOWLYOE-WPRPVWTQSA-N 1 0 389.365 2.776 20 0 GFADRO C[C@]12C[NH2+]C[C@H]1CN(C(=O)c1[nH]nc(-c3ccccc3)c1Br)C2 ZINC000877375918 662875070 /nfs/dbraw/zinc/87/50/70/662875070.db2.gz ITNLPGZKQZFEJS-YVEFUNNKSA-N 1 0 375.270 2.521 20 0 GFADRO O=C(N[C@@]12CCC[C@H]1[NH2+]CC2)c1ncc(Br)cc1Br ZINC000877389688 662875272 /nfs/dbraw/zinc/87/52/72/662875272.db2.gz OIVXPDZSSRWUIL-ZWNOBZJWSA-N 1 0 389.091 2.621 20 0 GFADRO CC(=O)N[C@H](CC(=O)N(C)CCCCCC[NH3+])c1ccc(Br)cc1 ZINC000877442647 662876073 /nfs/dbraw/zinc/87/60/73/662876073.db2.gz RTDWSTXLFHIQSP-QGZVFWFLSA-N 1 0 398.345 2.994 20 0 GFADRO CN(CCCCCC[NH3+])C(=O)[C@H]1CCN(c2ccccc2Br)C1=O ZINC000877441935 662876084 /nfs/dbraw/zinc/87/60/84/662876084.db2.gz UHCVQGWCQWGHOK-CQSZACIVSA-N 1 0 396.329 2.780 20 0 GFADRO O[C@H](CC[NH2+]Cc1cccc(F)c1I)C(F)(F)F ZINC000877526567 662878085 /nfs/dbraw/zinc/87/80/85/662878085.db2.gz KKWMFHBKYFVIEN-SECBINFHSA-N 1 0 377.119 2.833 20 0 GFADRO Cc1ccc(C[NH2+]CCS(=O)(=O)C2CCOCC2)c(C)c1Br ZINC000877567726 662878978 /nfs/dbraw/zinc/87/89/78/662878978.db2.gz QMOWLZJIDFZHNI-UHFFFAOYSA-N 1 0 390.343 2.749 20 0 GFADRO CC(C)(C)OC(=O)N[C@@H]1C[C@@H]([NH2+]CC[S@@](=O)CC(F)(F)F)C12CCC2 ZINC000877622080 662880070 /nfs/dbraw/zinc/88/00/70/662880070.db2.gz FGVXKADFCZJPFE-GNDHETMUSA-N 1 0 384.464 2.723 20 0 GFADRO CCOP(=O)(CCC[NH2+][C@H]1CS(=O)(=O)Cc2ccccc21)OCC ZINC000877647861 662880676 /nfs/dbraw/zinc/88/06/76/662880676.db2.gz VCYKLRNQAUVHEI-INIZCTEOSA-N 1 0 375.427 2.902 20 0 GFADRO CNS(=O)(=O)c1ccc(CC[NH2+]Cc2cc(Cl)cc(Cl)c2N)cc1 ZINC000877735177 662882713 /nfs/dbraw/zinc/88/27/13/662882713.db2.gz KEGDHSHABBZHHW-UHFFFAOYSA-N 1 0 388.320 2.816 20 0 GFADRO COc1ccc(CN2CCC([NH+]3CCN(C)CC3)CC2)cc1Br ZINC000877747165 662882758 /nfs/dbraw/zinc/88/27/58/662882758.db2.gz BHZAAQBNDGAVEW-UHFFFAOYSA-N 1 0 382.346 2.670 20 0 GFADRO CCOC(=O)c1ncc(C[NH2+]C[C@@H](c2cccs2)N2CCOCC2)s1 ZINC000878059455 662889080 /nfs/dbraw/zinc/88/90/80/662889080.db2.gz KJAWJGWCKMBGGZ-AWEZNQCLSA-N 1 0 381.523 2.544 20 0 GFADRO OCC[N@H+](C[C@H](O)c1cc(Br)no1)[C@@H]1CCCc2ccccc21 ZINC000878245661 662892369 /nfs/dbraw/zinc/89/23/69/662892369.db2.gz GYHAETNFKASMNF-CABCVRRESA-N 1 0 381.270 2.842 20 0 GFADRO Cc1nc(CN2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)sc1Br ZINC000878323951 662893870 /nfs/dbraw/zinc/89/38/70/662893870.db2.gz FLUDVKPESMOYKN-TZMCWYRMSA-N 1 0 387.391 2.672 20 0 GFADRO OC[C@H]1C=C[C@@H]([N@@H+](Cc2cccs2)C[C@H](O)c2cc(Br)no2)C1 ZINC000878615889 662900399 /nfs/dbraw/zinc/90/03/99/662900399.db2.gz RCDLRDJBGPIKAR-SCRDCRAPSA-N 1 0 399.310 2.971 20 0 GFADRO OC[C@@H]([NH2+]C[C@@H](O)CC1(CO)CCCC1)c1ccc(Br)c(F)c1 ZINC000878644848 662901519 /nfs/dbraw/zinc/90/15/19/662901519.db2.gz CWSXFUYCFGDDJP-XJKSGUPXSA-N 1 0 390.293 2.515 20 0 GFADRO OC[C@H]([NH2+]C[C@H]1CCC2(CCOCC2)O1)c1ccc(Br)c(F)c1 ZINC000878645433 662901717 /nfs/dbraw/zinc/90/17/17/662901717.db2.gz LETMXMAJOCNBSL-CJNGLKHVSA-N 1 0 388.277 2.939 20 0 GFADRO O[C@@H](C[NH2+]C1(Cc2cccc(F)c2)CCOCC1)c1cc(Br)no1 ZINC000878651606 662901835 /nfs/dbraw/zinc/90/18/35/662901835.db2.gz FKSNXUCPNDJYQZ-AWEZNQCLSA-N 1 0 399.260 2.991 20 0 GFADRO C[N@H+](CCc1ccc(C(N)=O)cc1)C[C@H](O)c1ccccc1Br ZINC000878692609 662902824 /nfs/dbraw/zinc/90/28/24/662902824.db2.gz YRQQDBVOKKHQTP-KRWDZBQOSA-N 1 0 377.282 2.756 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)Cc2c(Br)cnn2C)C1 ZINC000878846386 662907236 /nfs/dbraw/zinc/90/72/36/662907236.db2.gz UWDGNTMPIQAGAO-HUUCEWRRSA-N 1 0 397.361 2.838 20 0 GFADRO O[C@@H](C[N@@H+]1CCC[C@H](n2ccnn2)CC1)c1ccc(F)c(Br)c1 ZINC000878942405 662910453 /nfs/dbraw/zinc/91/04/53/662910453.db2.gz YABTZZLJQJFILL-BBRMVZONSA-N 1 0 383.265 2.940 20 0 GFADRO Cn1ncc(Br)c1CC(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000879058036 662915081 /nfs/dbraw/zinc/91/50/81/662915081.db2.gz HCLLXHXMIPIFAA-HNNXBMFYSA-N 1 0 399.720 2.798 20 0 GFADRO Cc1ccsc1-c1nsc(NC(=O)N[C@H]2CC[N@H+](CC(C)(C)O)C2)n1 ZINC000879236783 662921501 /nfs/dbraw/zinc/92/15/01/662921501.db2.gz MXDQEIMSXJIAEP-NSHDSACASA-N 1 0 381.527 2.542 20 0 GFADRO COCC[N@H+](Cc1nc2ccc(Br)cc2n1C)C1CCOCC1 ZINC000879709821 662937860 /nfs/dbraw/zinc/93/78/60/662937860.db2.gz TUZRSLKZTMPORG-UHFFFAOYSA-N 1 0 382.302 2.963 20 0 GFADRO CN=[S@](C)(=O)c1cccc(NC(=O)NCC2(SC)CC[NH+](C)CC2)c1 ZINC000879835517 662940445 /nfs/dbraw/zinc/94/04/45/662940445.db2.gz TYKULEKHWOPCDF-RUZDIDTESA-N 1 0 384.571 2.722 20 0 GFADRO C[NH+](C)C1(CNC(=O)Nc2c(F)cc(I)cc2F)CC1 ZINC000879889047 662941555 /nfs/dbraw/zinc/94/15/55/662941555.db2.gz YYQWITYDAQGGLU-UHFFFAOYSA-N 1 0 395.191 2.785 20 0 GFADRO C[N@@H+]1C[C@H]2CCN(C(=O)c3ccc(OC(F)F)c(Br)c3)[C@@H]2C1 ZINC000880090973 662950847 /nfs/dbraw/zinc/95/08/47/662950847.db2.gz QPYZARWANFTPNJ-ZYHUDNBSSA-N 1 0 375.213 2.827 20 0 GFADRO CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)Nc2ccc(F)c(Br)c2F)C1 ZINC000880140485 662952370 /nfs/dbraw/zinc/95/23/70/662952370.db2.gz ILNNKDFEEGTBRP-VIFPVBQESA-N 1 0 392.244 2.694 20 0 GFADRO O[C@H](CN1CCC[C@H]([NH2+]C2CCOCC2)C1)c1cccc(Br)c1 ZINC000880210544 662954790 /nfs/dbraw/zinc/95/47/90/662954790.db2.gz SSEZRPVEGWTCOT-ZWKOTPCHSA-N 1 0 383.330 2.716 20 0 GFADRO CO[C@H]1COCC[C@H]1[N@H+](C)CCC(=O)Nc1ccc(Br)cc1F ZINC000880424895 662959601 /nfs/dbraw/zinc/95/96/01/662959601.db2.gz KSIAVULNJOAXAO-CABCVRRESA-N 1 0 389.265 2.653 20 0 GFADRO O=C(CC[N@H+]1C[C@H](O)CC2(CCOCC2)C1)Nc1ccccc1Br ZINC000880583172 662963148 /nfs/dbraw/zinc/96/31/48/662963148.db2.gz VPFZMKDKDLTWME-CQSZACIVSA-N 1 0 397.313 2.641 20 0 GFADRO CC(C)(CN1CCOCC1)NC(=O)Nc1c2c(ccc1Br)OCC2 ZINC000880798169 662969759 /nfs/dbraw/zinc/96/97/59/662969759.db2.gz MGJNLECNVGEWNF-UHFFFAOYSA-N 1 0 398.301 2.616 20 0 GFADRO CCn1cc(Br)cc1C(=O)N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000881472659 662995282 /nfs/dbraw/zinc/99/52/82/662995282.db2.gz RYIAQCLIYKEXJK-HNNXBMFYSA-N 1 0 384.318 2.644 20 0 GFADRO O=S(=O)(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1cnc(Cl)cc1C(F)(F)F ZINC000881790423 663003376 /nfs/dbraw/zinc/00/33/76/663003376.db2.gz OCVCMIMONAAQJV-MNOVXSKESA-N 1 0 383.823 2.659 20 0 GFADRO C[NH+](C)CCOc1cccc(CNS(=O)(=O)CC[C@H]2CC2(Cl)Cl)c1 ZINC000881795163 663003522 /nfs/dbraw/zinc/00/35/22/663003522.db2.gz DTTHXQAJMOSAQF-AWEZNQCLSA-N 1 0 395.352 2.630 20 0 GFADRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(c2ccc3nnc(Br)n3n2)C1 ZINC000881821849 663004647 /nfs/dbraw/zinc/00/46/47/663004647.db2.gz OZESJNAYIJCDIY-JHJVBQTASA-N 1 0 379.306 2.728 20 0 GFADRO CC1CC[NH+](C[C@H]2CCCN(c3ccc4nnc(Br)n4n3)C2)CC1 ZINC000881872951 663007326 /nfs/dbraw/zinc/00/73/26/663007326.db2.gz UPRIEGZJWNVUCO-CQSZACIVSA-N 1 0 393.333 2.835 20 0 GFADRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(c2ccc3nnc(Br)n3n2)C1 ZINC000882029387 663014053 /nfs/dbraw/zinc/01/40/53/663014053.db2.gz DNGKNISNLDFDCE-CQSZACIVSA-N 1 0 387.285 2.598 20 0 GFADRO CC1([NH+]2CCC2)CCN(C(=O)c2cc(Br)c3nccn3c2)CC1 ZINC000882511125 663029664 /nfs/dbraw/zinc/02/96/64/663029664.db2.gz VMICDROVNBAFGC-UHFFFAOYSA-N 1 0 377.286 2.797 20 0 GFADRO CCC1([NH+]2CCCCC2)CCN(S(=O)(=O)N=[S@](C)(=O)C(C)(C)C)CC1 ZINC000882618341 663033508 /nfs/dbraw/zinc/03/35/08/663033508.db2.gz PUIHJEAYKDIQHY-XMMPIXPASA-N 1 0 393.619 2.858 20 0 GFADRO O=C(Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1)c1cc(Br)no1 ZINC000883152128 663050549 /nfs/dbraw/zinc/05/05/49/663050549.db2.gz JWIJNBUIVCWPBQ-AWEZNQCLSA-N 1 0 391.269 2.974 20 0 GFADRO COc1nsc(C[NH2+]C[C@@H]2CCC3(CCOCC3)CO2)c1Br ZINC000883253427 663051955 /nfs/dbraw/zinc/05/19/55/663051955.db2.gz RNNKRQMSWHZVIO-NSHDSACASA-N 1 0 391.331 2.980 20 0 GFADRO COCCc1nc(C)c([C@@H](C)[NH2+]CC2(S(=O)(=O)NC(C)(C)C)CC2)s1 ZINC000883299688 663052976 /nfs/dbraw/zinc/05/29/76/663052976.db2.gz BXYCOGPYODLASH-GFCCVEGCSA-N 1 0 389.587 2.542 20 0 GFADRO Cc1nn(Cc2ccccc2)c(Cl)c1C[NH2+]CC[C@H]1CCCS1(=O)=O ZINC000883301421 663053091 /nfs/dbraw/zinc/05/30/91/663053091.db2.gz ZUABFOZZLZOTMR-MRXNPFEDSA-N 1 0 381.929 2.950 20 0 GFADRO O=C1NCCn2c(C[NH2+][C@H]3CCC[C@H]3c3ccc(Cl)c(Cl)c3)nnc21 ZINC000883303737 663053185 /nfs/dbraw/zinc/05/31/85/663053185.db2.gz FPNLFUKUUFGNQJ-FZMZJTMJSA-N 1 0 380.279 2.754 20 0 GFADRO C[C@@H]([NH2+][C@H]1C[C@H](S(C)(=O)=O)C1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000883373796 663054182 /nfs/dbraw/zinc/05/41/82/663054182.db2.gz CQUWBXHDPSVEQF-DDUZABMNSA-N 1 0 385.551 2.629 20 0 GFADRO C[C@H](Cc1cnccn1)[NH2+][C@H]1CCc2cc(Br)ccc2NC1=O ZINC000883377563 663054358 /nfs/dbraw/zinc/05/43/58/663054358.db2.gz KWIMBHLWTNTADW-BZNIZROVSA-N 1 0 375.270 2.713 20 0 GFADRO CCc1ncc(C[NH2+][C@H]2CCc3cc(Br)ccc3NC2=O)cn1 ZINC000883387343 663054704 /nfs/dbraw/zinc/05/47/04/663054704.db2.gz WOZNBGLQGZJDIB-HNNXBMFYSA-N 1 0 375.270 2.845 20 0 GFADRO C[NH2+]C[C@H]1CCCCN1Cc1csc(-c2ccc(S(C)(=O)=O)cc2)n1 ZINC000883449960 663055395 /nfs/dbraw/zinc/05/53/95/663055395.db2.gz TTZFWIUKZYZMLG-MRXNPFEDSA-N 1 0 379.551 2.788 20 0 GFADRO COc1ccc(S(=O)(=O)N(CC[NH3+])CC(F)(F)F)c(Cl)c1Cl ZINC000883471957 663055641 /nfs/dbraw/zinc/05/56/41/663055641.db2.gz GOTQQYNGVPOSBM-UHFFFAOYSA-N 1 0 381.203 2.514 20 0 GFADRO [NH3+]Cc1nc2c(s1)CCN(S(=O)(=O)c1ccc(Cl)c(Cl)c1)C2 ZINC000883481733 663056063 /nfs/dbraw/zinc/05/60/63/663056063.db2.gz ZAQMKXZIPAZPFP-UHFFFAOYSA-N 1 0 378.306 2.656 20 0 GFADRO CCOc1ccc(NC(=O)C(=O)N2CCC([NH3+])(CC)CC2)cc1Br ZINC000883627847 663058384 /nfs/dbraw/zinc/05/83/84/663058384.db2.gz QQKSBYOENUGGTO-UHFFFAOYSA-N 1 0 398.301 2.516 20 0 GFADRO CCC1([NH3+])CCN(C(=O)C(=O)Nc2ccc(Cl)cc2OC(F)F)CC1 ZINC000883627623 663058391 /nfs/dbraw/zinc/05/83/91/663058391.db2.gz JYWZMVOIXILQQM-UHFFFAOYSA-N 1 0 375.803 2.610 20 0 GFADRO [NH3+][C@H](C(=O)NCc1ccc(N2CCCC2)nc1)c1ccc(Br)cc1 ZINC000884007031 663063672 /nfs/dbraw/zinc/06/36/72/663063672.db2.gz MNKMVEPODFDQCO-KRWDZBQOSA-N 1 0 389.297 2.761 20 0 GFADRO CC[NH2+]CC1CCN(C(=O)COCCc2ccc(Br)cc2)CC1 ZINC000884040572 663064085 /nfs/dbraw/zinc/06/40/85/663064085.db2.gz XQWRYTDYJIMFCZ-UHFFFAOYSA-N 1 0 383.330 2.856 20 0 GFADRO COc1ccc(CCNC(=O)[C@H]([NH3+])c2ccc(Br)cc2)cc1OC ZINC000884047611 663064245 /nfs/dbraw/zinc/06/42/45/663064245.db2.gz BZOHFZBVYBCXDI-QGZVFWFLSA-N 1 0 393.281 2.825 20 0 GFADRO [NH3+][C@H](C(=O)NC[C@H]1COc2ccccc2C1)c1ccc(Br)cc1 ZINC000884060129 663064372 /nfs/dbraw/zinc/06/43/72/663064372.db2.gz PIVUNRFGHLGJNG-SJCJKPOMSA-N 1 0 375.266 2.816 20 0 GFADRO [NH3+][C@@H](C(=O)NC[C@H]1COc2ccccc2C1)c1ccc(Br)cc1 ZINC000884060131 663064432 /nfs/dbraw/zinc/06/44/32/663064432.db2.gz PIVUNRFGHLGJNG-YVEFUNNKSA-N 1 0 375.266 2.816 20 0 GFADRO COCC[C@@H]([NH3+])C(=O)N1CCCC[C@@H]1C(=O)Nc1cc(Cl)ccc1Cl ZINC000884082789 663064620 /nfs/dbraw/zinc/06/46/20/663064620.db2.gz UVNYZXKWGJRGTE-UKRRQHHQSA-N 1 0 388.295 2.677 20 0 GFADRO [NH3+][C@H](C(=O)NC[C@H]1OCCc2ccccc21)c1ccc(Br)cc1 ZINC000884138129 663065767 /nfs/dbraw/zinc/06/57/67/663065767.db2.gz FQIYGMBHCKJQRL-SJORKVTESA-N 1 0 375.266 2.879 20 0 GFADRO [NH3+][C@H](CC1CC1)C(=O)N[C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000884230679 663067399 /nfs/dbraw/zinc/06/73/99/663067399.db2.gz XOOZYHCVOMRBEU-WCQYABFASA-N 1 0 376.810 2.576 20 0 GFADRO O=C(CCc1cc(Br)c(Br)s1)NCC1C[NH2+]C1 ZINC000884241574 663067534 /nfs/dbraw/zinc/06/75/34/663067534.db2.gz NCYFHUOTTNBUBG-UHFFFAOYSA-N 1 0 382.121 2.541 20 0 GFADRO [NH3+]CCCN(Cc1ccccc1)C(=O)c1nn2c(c1Br)CCC2 ZINC000884275578 663067958 /nfs/dbraw/zinc/06/79/58/663067958.db2.gz PAZVLEXQRUCFJX-UHFFFAOYSA-N 1 0 377.286 2.583 20 0 GFADRO Cn1nc2c(c1C(=O)N1CC[NH2+]C[C@@H]1c1cccc(Cl)c1)CSCC2 ZINC000884279191 663067996 /nfs/dbraw/zinc/06/79/96/663067996.db2.gz CUGLDZDVRLFYJF-MRXNPFEDSA-N 1 0 376.913 2.650 20 0 GFADRO CC(C)(Cc1ccc(Br)cc1)C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000884290396 663068181 /nfs/dbraw/zinc/06/81/81/663068181.db2.gz ZPKPTQHGHKIROJ-KRWDZBQOSA-N 1 0 394.357 2.524 20 0 GFADRO CCc1nn(C)c(CC)c1CNC(=O)[C@H]([NH3+])c1ccc(Br)cc1 ZINC000884327577 663068992 /nfs/dbraw/zinc/06/89/92/663068992.db2.gz XEZHIZVGRWOPIH-MRXNPFEDSA-N 1 0 379.302 2.624 20 0 GFADRO CC1(C)[C@H]([NH3+])C[C@@H]1NC(=O)C1(c2ccc(Br)cc2)CCOCC1 ZINC000884353892 663069504 /nfs/dbraw/zinc/06/95/04/663069504.db2.gz IHMYITSTSISELZ-CABCVRRESA-N 1 0 381.314 2.739 20 0 GFADRO C[C@@H]1CC2(CN1C(=O)COCCc1ccc(Br)cc1)CC[NH2+]CC2 ZINC000884370408 663069739 /nfs/dbraw/zinc/06/97/39/663069739.db2.gz IVNDIEQGUVTUIQ-OAHLLOKOSA-N 1 0 395.341 2.999 20 0 GFADRO Cn1nc(C2CCOCC2)cc1NC(=O)[C@@H]([NH3+])c1ccc(Br)cc1 ZINC000884436848 663070795 /nfs/dbraw/zinc/07/07/95/663070795.db2.gz PRYVPUNFWQDRTQ-INIZCTEOSA-N 1 0 393.285 2.715 20 0 GFADRO CCC1([NH+]2CCC2)CCN(Cn2nc(C(=O)OC)c(Br)c2C)CC1 ZINC000884474725 663071191 /nfs/dbraw/zinc/07/11/91/663071191.db2.gz KIOOKSVODPFITI-UHFFFAOYSA-N 1 0 399.333 2.648 20 0 GFADRO O=S(=O)(Cc1cc(F)ccc1Br)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000884960439 663079815 /nfs/dbraw/zinc/07/98/15/663079815.db2.gz VNCARTDHQMYOPU-KGLIPLIRSA-N 1 0 391.306 2.634 20 0 GFADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1cscc1Br ZINC000885460472 663091012 /nfs/dbraw/zinc/09/10/12/663091012.db2.gz ZVLJBJZISHEVTR-MNOVXSKESA-N 1 0 379.345 2.758 20 0 GFADRO O=C(Cc1cc(Br)ccc1F)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000885876714 663100040 /nfs/dbraw/zinc/10/00/40/663100040.db2.gz WRLRFRWHRBFRKR-HNNXBMFYSA-N 1 0 385.277 2.500 20 0 GFADRO O=C(C[C@@H](O)c1cc(Cl)cc(Cl)c1)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000885876447 663100079 /nfs/dbraw/zinc/10/00/79/663100079.db2.gz RAHHSHYXSVCHRP-IAGOWNOFSA-N 1 0 387.307 2.786 20 0 GFADRO O=C(NC[C@H]1CC[N@@H+]1C1CCOCC1)c1c[nH]nc1-c1ccc(Cl)s1 ZINC000885880538 663100193 /nfs/dbraw/zinc/10/01/93/663100193.db2.gz STRWAUZFJGRKFM-GFCCVEGCSA-N 1 0 380.901 2.775 20 0 GFADRO O=C(c1ccc(Br)cc1)N1CC[NH+](C[C@H]2C[C@@]23CCOC3)CC1 ZINC000885980348 663102285 /nfs/dbraw/zinc/10/22/85/663102285.db2.gz ZHUMIQQNTFGVOG-CRAIPNDOSA-N 1 0 379.298 2.634 20 0 GFADRO OC[C@H]([NH2+][C@@H]1CCOC2(CCOCC2)C1)c1ccc(Br)c(F)c1 ZINC000886125149 663103732 /nfs/dbraw/zinc/10/37/32/663103732.db2.gz KFLXJHAYCWKRBG-CJNGLKHVSA-N 1 0 388.277 2.939 20 0 GFADRO OC[C@H](C[C@H]1CCCO1)[NH2+]Cc1cc(Br)c2c(c1)OCCCO2 ZINC000886228938 663105274 /nfs/dbraw/zinc/10/52/74/663105274.db2.gz IFOACVQSDVCXGL-UONOGXRCSA-N 1 0 386.286 2.630 20 0 GFADRO C[C@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH2+][C@H]1C[C@@H](O)[C@@H](O)C1 ZINC000886253677 663106142 /nfs/dbraw/zinc/10/61/42/663106142.db2.gz FFWFRHRXQAHBET-UMGHXEBTSA-N 1 0 380.794 2.550 20 0 GFADRO COC(=O)c1cc2n(n1)CCC[C@@H]2[NH2+]C[C@@H](O)c1cccc(Br)c1 ZINC000886551095 663113692 /nfs/dbraw/zinc/11/36/92/663113692.db2.gz BCTIWGUCHACOHX-XJKSGUPXSA-N 1 0 394.269 2.590 20 0 GFADRO CC(C)[C@H](Cc1ccc(Br)cc1)[NH2+]Cc1nnc2c(=O)[nH]ccn12 ZINC000886706478 663116093 /nfs/dbraw/zinc/11/60/93/663116093.db2.gz YYPTTXYTRCRNAU-AWEZNQCLSA-N 1 0 390.285 2.537 20 0 GFADRO C[C@@H]([NH2+]CC1(S(=O)(=O)N(C)C)CC1)c1ccc(OCC(F)(F)F)cc1 ZINC000886734817 663116409 /nfs/dbraw/zinc/11/64/09/663116409.db2.gz QESNPCBRGZXFON-GFCCVEGCSA-N 1 0 380.432 2.702 20 0 GFADRO OC[C@]1(C(F)(F)F)CC[N@H+](C[C@@H](O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000886793203 663118616 /nfs/dbraw/zinc/11/86/16/663118616.db2.gz DFIRCDIFNQYRNC-YGRLFVJLSA-N 1 0 388.213 2.980 20 0 GFADRO OC[C@@]1(C(F)(F)F)CC[N@H+](C[C@H](O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000886793201 663118761 /nfs/dbraw/zinc/11/87/61/663118761.db2.gz DFIRCDIFNQYRNC-IINYFYTJSA-N 1 0 388.213 2.980 20 0 GFADRO OC[C@]1(C(F)(F)F)CC[N@H+](C[C@H](O)COc2cc(Cl)cc(Cl)c2)C1 ZINC000886813822 663119959 /nfs/dbraw/zinc/11/99/59/663119959.db2.gz VTYDXBWLFDEYHY-JSGCOSHPSA-N 1 0 388.213 2.980 20 0 GFADRO C[C@@H](C(=O)NC1(c2ncc(Br)cn2)CCC1)[NH+]1CCCCCC1 ZINC000886839247 663121845 /nfs/dbraw/zinc/12/18/45/663121845.db2.gz ZZHFHJHMWQZOOA-ZDUSSCGKSA-N 1 0 381.318 2.999 20 0 GFADRO Cc1cc(Br)ccc1CS(=O)(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000886884110 663123313 /nfs/dbraw/zinc/12/33/13/663123313.db2.gz VMKCPLQCSRTSBL-OLZOCXBDSA-N 1 0 375.332 2.647 20 0 GFADRO Cc1cc(Cl)cc(C)c1S(=O)(=O)N1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000886886277 663123461 /nfs/dbraw/zinc/12/34/61/663123461.db2.gz BZSSNEXZCXGAJQ-IAGOWNOFSA-N 1 0 386.945 2.864 20 0 GFADRO Cc1cc(Br)ccc1CS(=O)(=O)N[C@H](C)C1CC[NH2+]CC1 ZINC000886889553 663123879 /nfs/dbraw/zinc/12/38/79/663123879.db2.gz ZFMQYCAIDKXXDE-GFCCVEGCSA-N 1 0 375.332 2.565 20 0 GFADRO O=S(=O)(NC[C@@H]1C[NH2+]CCC1(F)F)c1ccc(SC(F)(F)F)cc1 ZINC000886896654 663124061 /nfs/dbraw/zinc/12/40/61/663124061.db2.gz PWGYACHTPFAJFJ-VIFPVBQESA-N 1 0 390.399 2.822 20 0 GFADRO O=C1CCc2cc(Cl)c(S(=O)(=O)N3CCCC[C@@]4(CC[NH2+]C4)C3)cc21 ZINC000886901375 663124200 /nfs/dbraw/zinc/12/42/00/663124200.db2.gz YBFKPITXJHVQHE-SFHVURJKSA-N 1 0 382.913 2.623 20 0 GFADRO O=C(NC[C@@H]1C[NH2+]CCC1(F)F)Nc1ccccc1I ZINC000886925255 663125133 /nfs/dbraw/zinc/12/51/33/663125133.db2.gz NRPZUCJKGRPTOT-VIFPVBQESA-N 1 0 395.191 2.658 20 0 GFADRO C[C@H](Cc1nc(-c2cn([C@@H]3CCC[NH2+]C3)nn2)cs1)n1cc(Cl)cn1 ZINC000887446599 663146755 /nfs/dbraw/zinc/14/67/55/663146755.db2.gz GMEYVYBCARRYRF-DGCLKSJQSA-N 1 0 377.905 2.980 20 0 GFADRO [NH3+][C@H]1CCCN(Cc2cn([C@@H]3CCCc4ccc(Br)cc43)nn2)C1 ZINC000887446497 663146779 /nfs/dbraw/zinc/14/67/79/663146779.db2.gz CYOSJEBEJRXBCS-MAUKXSAKSA-N 1 0 390.329 2.889 20 0 GFADRO CC[C@@H](c1ccc(Br)cc1)n1cc(CN2CCC[C@H]([NH3+])C2)nn1 ZINC000887447346 663147096 /nfs/dbraw/zinc/14/70/96/663147096.db2.gz ZUGPKBAXARLNDE-RDJZCZTQSA-N 1 0 378.318 2.963 20 0 GFADRO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@H]1N2C(=O)c1cn(C)nc1Br ZINC000887857739 663165725 /nfs/dbraw/zinc/16/57/25/663165725.db2.gz PEVDVKJQPLNIAH-CZUORRHYSA-N 1 0 389.297 2.939 20 0 GFADRO CCC1([NH+]2CCC2)CCN(C(=O)Nc2cn(C)cc(Br)c2=O)CC1 ZINC000887975680 663172383 /nfs/dbraw/zinc/17/23/83/663172383.db2.gz HHWNODHNULBRPR-UHFFFAOYSA-N 1 0 397.317 2.630 20 0 GFADRO Cc1c(Br)cncc1NC(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000888898225 663223967 /nfs/dbraw/zinc/22/39/67/663223967.db2.gz VEBBSWLNYLYOCF-SFHVURJKSA-N 1 0 390.281 2.728 20 0 GFADRO CN(C(=O)c1cn(C)nc1Br)C1CC[NH+](Cc2ccccc2)CC1 ZINC000888971868 663227629 /nfs/dbraw/zinc/22/76/29/663227629.db2.gz BGOLMDHHBDVJKO-UHFFFAOYSA-N 1 0 391.313 2.919 20 0 GFADRO Cc1nc(-c2ccc(C(=O)N3CC[C@H]4[C@H]3CCC[N@@H+]4CCO)s2)cs1 ZINC000889742634 663262078 /nfs/dbraw/zinc/26/20/78/663262078.db2.gz KEPVWBLAQGUTNF-LSDHHAIUSA-N 1 0 377.535 2.851 20 0 GFADRO O=C(c1ccc(Cl)c(Br)c1)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000889764405 663264990 /nfs/dbraw/zinc/26/49/90/663264990.db2.gz RFHCSPQXTBPRNL-HUUCEWRRSA-N 1 0 387.705 2.774 20 0 GFADRO O=C(c1cc2cc(Br)ccc2o1)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000889775109 663265741 /nfs/dbraw/zinc/26/57/41/663265741.db2.gz LDWSHJUIBORAGK-CABCVRRESA-N 1 0 393.281 2.867 20 0 GFADRO O=C(c1cc(-c2ccc(Cl)s2)on1)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000889775164 663266178 /nfs/dbraw/zinc/26/61/78/663266178.db2.gz LQIHOUOUNFASHC-STQMWFEESA-N 1 0 381.885 2.728 20 0 GFADRO O=C(Cc1ccccc1I)N1CCC([NH2+]C2CCC2)CC1 ZINC000889830737 663270765 /nfs/dbraw/zinc/27/07/65/663270765.db2.gz NXTRCXDVTQKHKO-UHFFFAOYSA-N 1 0 398.288 2.967 20 0 GFADRO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)C(=O)Nc1cccc(F)c1Br ZINC000890364474 663297555 /nfs/dbraw/zinc/29/75/55/663297555.db2.gz AHVUMBTVMZLVLT-SNVBAGLBSA-N 1 0 386.265 2.516 20 0 GFADRO COc1cc(CNC(=O)N[C@]23CCC[C@@H]2[NH2+]CC3)cc(Br)c1OC ZINC000891465652 663340416 /nfs/dbraw/zinc/34/04/16/663340416.db2.gz PKQZMXFLIAVNOA-YOEHRIQHSA-N 1 0 398.301 2.550 20 0 GFADRO C[N@H+](CCCNC(=O)NCc1ncc(Br)cn1)Cc1ccccc1 ZINC000891627171 663345809 /nfs/dbraw/zinc/34/58/09/663345809.db2.gz UPJTYWHHNALSOB-UHFFFAOYSA-N 1 0 392.301 2.560 20 0 GFADRO [NH3+]CCN(Cc1cccc(Cl)c1)C(=O)N[C@@H]1CCO[C@]2(CCSC2)C1 ZINC000891696960 663347757 /nfs/dbraw/zinc/34/77/57/663347757.db2.gz OSHLBZIUBXVBAK-SJLPKXTDSA-N 1 0 383.945 2.865 20 0 GFADRO NS(=O)(=O)c1ccc(Cl)nc1NCc1cccc(C[NH+]2CCCC2)c1 ZINC000891753968 663349412 /nfs/dbraw/zinc/34/94/12/663349412.db2.gz JKJRMMORVIZFLF-UHFFFAOYSA-N 1 0 380.901 2.590 20 0 GFADRO C[NH2+]C[C@H]1CCCCN1C(=O)NCc1cn2cc(Br)cc(C)c2n1 ZINC000891793401 663350825 /nfs/dbraw/zinc/35/08/25/663350825.db2.gz XFUUXJCCIUWJKE-OAHLLOKOSA-N 1 0 394.317 2.689 20 0 GFADRO CCCOC[C@H](Cc1cccc(Br)c1)NC(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000891813344 663351596 /nfs/dbraw/zinc/35/15/96/663351596.db2.gz YQOLYTXFAXLLSI-UAGQMJEPSA-N 1 0 398.345 2.823 20 0 GFADRO COc1cc(Br)ccc1CNC(=O)NC[C@H]1C[NH2+]CCC1(F)F ZINC000891820109 663351841 /nfs/dbraw/zinc/35/18/41/663351841.db2.gz WFOXTVGILIFTRQ-LLVKDONJSA-N 1 0 392.244 2.502 20 0 GFADRO Cc1cccc(CNC(=O)NC[C@@H]2C[NH2+]CCC2(F)F)c1Br ZINC000891839017 663352500 /nfs/dbraw/zinc/35/25/00/663352500.db2.gz ICSKKEMIGNPMGZ-LBPRGKRZSA-N 1 0 376.245 2.802 20 0 GFADRO F[C@H]1CC2(CC[C@@H]1[NH+]1CCC(n3cc(Br)cn3)CC1)OCCO2 ZINC000892022966 663359522 /nfs/dbraw/zinc/35/95/22/663359522.db2.gz FQJCMWXHNJWKPT-GJZGRUSLSA-N 1 0 388.281 2.916 20 0 GFADRO CC(=O)Nc1cc(Br)ccc1CN1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000892114400 663362475 /nfs/dbraw/zinc/36/24/75/663362475.db2.gz FDROCNAQGRHOGS-HNNXBMFYSA-N 1 0 396.329 2.562 20 0 GFADRO C[N@H+](CC(C)(C)S(C)(=O)=O)C[C@]1(C)CCCN(C(=O)OC(C)(C)C)C1 ZINC000892146940 663363313 /nfs/dbraw/zinc/36/33/13/663363313.db2.gz PYRKBAHIKZVJCE-SFHVURJKSA-N 1 0 376.563 2.779 20 0 GFADRO CN(C[C@H](O)c1ccccc1Br)C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000892435586 663373573 /nfs/dbraw/zinc/37/35/73/663373573.db2.gz BOLGCEZSCNIBRJ-XEZPLFJOSA-N 1 0 384.318 2.641 20 0 GFADRO [NH3+]C[C@H]1CC[C@H](NC(=O)N(CCO)Cc2ccc(Br)s2)CC1 ZINC000892437574 663373765 /nfs/dbraw/zinc/37/37/65/663373765.db2.gz NLCKMRRFKQQGAJ-HAQNSBGRSA-N 1 0 390.347 2.532 20 0 GFADRO O[C@H](C[NH2+][C@H]1CCC2(C[C@@H]1F)OCCO2)COc1cccc(Cl)c1Cl ZINC000892680408 663380868 /nfs/dbraw/zinc/38/08/68/663380868.db2.gz YKFUZKJNJGSGKU-XBFCOCLRSA-N 1 0 394.270 2.956 20 0 GFADRO Cn1cc(C[NH2+]CCCNC(=O)c2ccc(Br)cc2)c(C2CC2)n1 ZINC000892816553 663385625 /nfs/dbraw/zinc/38/56/25/663385625.db2.gz UUIZNCKBXXSAED-UHFFFAOYSA-N 1 0 391.313 2.970 20 0 GFADRO C[C@H]([NH2+]CC1CCN(Cc2ccccc2Cl)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000892907017 663389129 /nfs/dbraw/zinc/38/91/29/663389129.db2.gz WGDJSBXQMCHQNW-MAUKXSAKSA-N 1 0 384.973 2.965 20 0 GFADRO O=S(=O)(N1CCC(C[NH2+]Cc2cc(O)cc(Cl)c2)CC1)C(F)(F)F ZINC000892947986 663390774 /nfs/dbraw/zinc/39/07/74/663390774.db2.gz SVBCJFQEEZDRHS-UHFFFAOYSA-N 1 0 386.823 2.697 20 0 GFADRO C[C@H](Cc1cc(Br)ccc1F)[NH2+][C@@H](C)[C@@H]1CCS(=O)(=O)C1 ZINC000893214948 663402372 /nfs/dbraw/zinc/40/23/72/663402372.db2.gz BIKJFMNKROGSCO-GRYCIOLGSA-N 1 0 378.307 2.932 20 0 GFADRO CO[C@H](c1ccc(Br)cc1)[C@H](C)[NH2+][C@@H](C)[C@@H]1CCS(=O)(=O)C1 ZINC000893297473 663405833 /nfs/dbraw/zinc/40/58/33/663405833.db2.gz MOWZEUDSCLDDNQ-GMZLATJGSA-N 1 0 390.343 2.938 20 0 GFADRO CC(C)CC[NH+]1CCC(CNC(=O)NCc2ncc(Br)cn2)CC1 ZINC000893500123 663413161 /nfs/dbraw/zinc/41/31/61/663413161.db2.gz WLZXERVPURLXAN-UHFFFAOYSA-N 1 0 398.349 2.796 20 0 GFADRO CC(C)[NH2+][C@@H]1CCCN(C(=O)C[C@@H]2C(=O)Nc3ccc(Br)cc32)C1 ZINC000893797572 663425006 /nfs/dbraw/zinc/42/50/06/663425006.db2.gz DXRIBIJXFVAANC-HIFRSBDPSA-N 1 0 394.313 2.864 20 0 GFADRO CCN(Cc1nc(Br)nn1C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000894077738 663441270 /nfs/dbraw/zinc/44/12/70/663441270.db2.gz WKRYTLUPPNXRTC-MRXNPFEDSA-N 1 0 392.345 2.922 20 0 GFADRO Cc1[nH+]ccc(N2CCN(C(=O)c3cscn3)[C@@H](C)C2)c1Br ZINC000894134396 663444593 /nfs/dbraw/zinc/44/45/93/663444593.db2.gz KIOSFWCKOZFXOT-JTQLQIEISA-N 1 0 381.299 2.960 20 0 GFADRO COc1ccc([C@H](CNCc2nc(Br)nn2C)[NH+]2CCCC2)cc1 ZINC000894139778 663445074 /nfs/dbraw/zinc/44/50/74/663445074.db2.gz HJZWWFGBBZMTHH-HNNXBMFYSA-N 1 0 394.317 2.513 20 0 GFADRO COC(=O)[C@H]1CCCC[C@@]1(C)[NH2+]Cc1sc(N2CCOCC2)nc1Cl ZINC000894140719 663445164 /nfs/dbraw/zinc/44/51/64/663445164.db2.gz OLSLHBGRCBYODR-SJKOYZFVSA-N 1 0 387.933 2.845 20 0 GFADRO Cn1ncc(I)c1C[NH2+]CCCOC1CCCCC1 ZINC000894157853 663446074 /nfs/dbraw/zinc/44/60/74/663446074.db2.gz KGZNJLISKLOGCY-UHFFFAOYSA-N 1 0 377.270 2.854 20 0 GFADRO OC[C@H](C[NH2+]Cc1sc(N2CCOCC2)nc1Cl)Cc1ccccc1 ZINC000894202836 663448465 /nfs/dbraw/zinc/44/84/65/663448465.db2.gz MRHVVPYSXFVEQZ-HNNXBMFYSA-N 1 0 381.929 2.574 20 0 GFADRO Cn1ncc(I)c1C[NH2+]CCc1c[nH]c2cc(F)ccc12 ZINC000894212221 663448950 /nfs/dbraw/zinc/44/89/50/663448950.db2.gz ZHJCGJZHSBMKCS-UHFFFAOYSA-N 1 0 398.223 2.977 20 0 GFADRO Cn1ccc(N2CCC[C@@H]([NH2+]Cc3cc4ccnc(Cl)c4s3)C2=O)n1 ZINC000894310464 663453719 /nfs/dbraw/zinc/45/37/19/663453719.db2.gz SHXXZYJLLMYWIZ-CYBMUJFWSA-N 1 0 375.885 2.968 20 0 GFADRO O=S(=O)(C[C@H](O)C[NH2+]Cc1cc2c(cccc2O)s1)c1cccs1 ZINC000894353874 663457104 /nfs/dbraw/zinc/45/71/04/663457104.db2.gz FHZRHFQZGSGORN-LLVKDONJSA-N 1 0 383.516 2.593 20 0 GFADRO COCC[C@@H](Cc1ccco1)[NH2+]Cc1sc(N2CCOCC2)nc1Cl ZINC000894446098 663462027 /nfs/dbraw/zinc/46/20/27/663462027.db2.gz YLUIJBWZUDMORN-ZDUSSCGKSA-N 1 0 385.917 2.964 20 0 GFADRO COCC[C@H](Cc1ccco1)[NH2+]Cc1sc(N2CCOCC2)nc1Cl ZINC000894446097 663462178 /nfs/dbraw/zinc/46/21/78/663462178.db2.gz YLUIJBWZUDMORN-CYBMUJFWSA-N 1 0 385.917 2.964 20 0 GFADRO Cc1csc([C@H](C)C[NH2+]Cc2c(I)cnn2C)n1 ZINC000894456752 663462914 /nfs/dbraw/zinc/46/29/14/663462914.db2.gz XJKJMQUAJIMHBY-MRVPVSSYSA-N 1 0 376.267 2.683 20 0 GFADRO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)N[C@@H]2CCOc3c(Br)cccc32)C1 ZINC000894622667 663472674 /nfs/dbraw/zinc/47/26/74/663472674.db2.gz LBLXEHRCIMRGTJ-GLQYFDAESA-N 1 0 380.286 2.618 20 0 GFADRO C[C@H]1CC[N@H+](CCNC(=O)N[C@H](c2cncc(Br)c2)C2CC2)C1 ZINC000894688860 663476161 /nfs/dbraw/zinc/47/61/61/663476161.db2.gz BWZMSGXQNNOQRX-LRDDRELGSA-N 1 0 381.318 2.936 20 0 GFADRO Cc1ccnc(N)c1C[NH2+]C[C@H](CO)Cc1cc(Br)ccc1F ZINC000894917299 663488145 /nfs/dbraw/zinc/48/81/45/663488145.db2.gz LXOCDDNIWYDDRW-GFCCVEGCSA-N 1 0 382.277 2.815 20 0 GFADRO C[NH+](C)Cc1ccc(NC(=O)C2CCS(=O)(=O)CC2)cc1C(F)(F)F ZINC000894982847 663493310 /nfs/dbraw/zinc/49/33/10/663493310.db2.gz JAUKOKSQKFZFIA-UHFFFAOYSA-N 1 0 378.416 2.530 20 0 GFADRO C[N@@H+]1CC[C@@H]2CN(c3ncnc4c3c(Br)nn4C(C)(C)C)CC[C@H]21 ZINC000895021605 663495779 /nfs/dbraw/zinc/49/57/79/663495779.db2.gz HLFADCOYLZZTNU-VXGBXAGGSA-N 1 0 393.333 2.874 20 0 GFADRO C[C@@H](Nc1ncnc2cc(F)c(Br)cc21)[C@@H]1C[N@H+](C)CCN1C ZINC000895248049 663504932 /nfs/dbraw/zinc/50/49/32/663504932.db2.gz YEECSTNXPGHDAS-BMIGLBTASA-N 1 0 382.281 2.578 20 0 GFADRO COc1ncc(C(=O)N2CCN(c3cc[nH+]cc3)C[C@@H]2C)cc1Br ZINC000895265556 663505848 /nfs/dbraw/zinc/50/58/48/663505848.db2.gz SBIRZCMQYPYYQM-LBPRGKRZSA-N 1 0 391.269 2.599 20 0 GFADRO C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)c1nc(Br)ccc1F ZINC000895268714 663506133 /nfs/dbraw/zinc/50/61/33/663506133.db2.gz POMWBLHISBQWRI-NSHDSACASA-N 1 0 379.233 2.729 20 0 GFADRO CS(=O)(=O)C1CC([NH2+][C@H]2CSCc3ccc(Br)cc32)C1 ZINC000895370619 663510286 /nfs/dbraw/zinc/51/02/86/663510286.db2.gz KZYDFMYKHIFQRJ-YIZWMMSDSA-N 1 0 376.341 2.902 20 0 GFADRO CN(CC(=O)Nc1ccccc1Br)C(=O)[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000895466636 663515994 /nfs/dbraw/zinc/51/59/94/663515994.db2.gz YEDSASMBSUAJHI-AWEZNQCLSA-N 1 0 382.302 2.719 20 0 GFADRO FC(F)(F)C(F)(F)OCC[NH2+]Cc1sc(N2CCOCC2)nc1Cl ZINC000895472189 663516164 /nfs/dbraw/zinc/51/61/64/663516164.db2.gz AYCHWCHNCUMDKC-UHFFFAOYSA-N 1 0 395.781 2.894 20 0 GFADRO COc1cc(CNC(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3C)c(Br)cc1O ZINC000895527457 663518031 /nfs/dbraw/zinc/51/80/31/663518031.db2.gz DWJAVMVAHSSADM-KBPBESRZSA-N 1 0 398.301 2.541 20 0 GFADRO C[C@H]([NH2+][C@H](CN(C)C)c1cccc(C(F)(F)F)c1)[C@H]1CCS(=O)(=O)C1 ZINC000895691700 663523549 /nfs/dbraw/zinc/52/35/49/663523549.db2.gz KVOVPJHKYUSOIO-DUVNUKRYSA-N 1 0 378.460 2.721 20 0 GFADRO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(C(=O)/C=C\C=C(Cl)Cl)CC1 ZINC000895827899 663529150 /nfs/dbraw/zinc/52/91/50/663529150.db2.gz DXKYBOYHZBFIDJ-ALCCZGGFSA-N 1 0 390.355 2.804 20 0 GFADRO COC[C@H]([NH2+][C@@H](C)[C@H]1CCS(=O)(=O)C1)c1cccc(Br)c1 ZINC000895852476 663530314 /nfs/dbraw/zinc/53/03/14/663530314.db2.gz FYZITZZOWDLRFY-WHOFXGATSA-N 1 0 376.316 2.549 20 0 GFADRO C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+][C@H]1CS(=O)(=O)C1(C)C ZINC000895982936 663536003 /nfs/dbraw/zinc/53/60/03/663536003.db2.gz VRYLBWLBSSPJGJ-GWCFXTLKSA-N 1 0 378.416 2.588 20 0 GFADRO CCOC(=O)[C@@H]1CC[C@H]([NH2+]Cc2nc(CSC)n[nH]2)C[C@H]1C(F)(F)F ZINC000896053067 663539070 /nfs/dbraw/zinc/53/90/70/663539070.db2.gz AJUCUUCHBYUCGC-HBNTYKKESA-N 1 0 380.436 2.668 20 0 GFADRO O=C(NCc1ncc(Br)cn1)NC[C@H]1CC[N@@H+]1C1CCCCCC1 ZINC000896236414 663546193 /nfs/dbraw/zinc/54/61/93/663546193.db2.gz HTXSBWKVUXKXQA-OAHLLOKOSA-N 1 0 396.333 2.835 20 0 GFADRO Cn1nc(Br)c2c1ncnc2NC1CCC(C)([NH+]2CCC2)CC1 ZINC000896256283 663547310 /nfs/dbraw/zinc/54/73/10/663547310.db2.gz DZQRDOCMFXGWSG-UHFFFAOYSA-N 1 0 379.306 2.945 20 0 GFADRO Fc1ccc(C[N@@H+]2CC[C@@H](C3OCCO3)C2)c(I)c1 ZINC000896379223 663554105 /nfs/dbraw/zinc/55/41/05/663554105.db2.gz COTMUANKPHTNKK-LLVKDONJSA-N 1 0 377.197 2.625 20 0 GFADRO C[C@H](NC(=O)c1cc(Cl)c(F)cc1Br)[C@H]1C[N@H+](C)CCN1C ZINC000896540167 663561955 /nfs/dbraw/zinc/56/19/55/663561955.db2.gz VEIVOZUPMJBYOF-LKFCYVNXSA-N 1 0 392.700 2.606 20 0 GFADRO Cc1cc(C(C)(C)C(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCN2C)ccc1Br ZINC000896537764 663562194 /nfs/dbraw/zinc/56/21/94/663562194.db2.gz BJLSOKLJQPSFNS-YOEHRIQHSA-N 1 0 396.373 2.786 20 0 GFADRO Cc1cc2cc(C(=O)N[C@@H](C)[C@H]3C[N@H+](C)CCN3C)oc2c(Br)c1 ZINC000896551077 663563098 /nfs/dbraw/zinc/56/30/98/663563098.db2.gz WHTJTDJRGZXNBP-SWLSCSKDSA-N 1 0 394.313 2.868 20 0 GFADRO O=C(NCc1cnn(-c2ccc(Br)cc2)c1)[C@@]12CC[N@H+](C1)CCC2 ZINC000897587149 663612706 /nfs/dbraw/zinc/61/27/06/663612706.db2.gz IGWLZXREKXAXOI-SFHVURJKSA-N 1 0 389.297 2.737 20 0 GFADRO Cc1cc(Br)ccc1C(=O)N1CCC([NH2+][C@@H]2CC23CC(O)C3)CC1 ZINC000897849014 663622501 /nfs/dbraw/zinc/62/25/01/663622501.db2.gz UBICESQIVVWOAT-URSIVYNOSA-N 1 0 393.325 2.865 20 0 GFADRO COC[C@H](Cc1ccccc1)[NH2+][C@H]1Cc2cc(Br)cnc2NC1=O ZINC000897976910 663627790 /nfs/dbraw/zinc/62/77/90/663627790.db2.gz DJYUJULONSGIMK-HOTGVXAUSA-N 1 0 390.281 2.555 20 0 GFADRO CC(C)(C)[C@@H]1C[C@H]([NH2+][C@H]2Cc3cc(Br)cnc3NC2=O)CCO1 ZINC000897979280 663628956 /nfs/dbraw/zinc/62/89/56/663628956.db2.gz ZCZNUZCFAWDSQT-RDBSUJKOSA-N 1 0 382.302 2.891 20 0 GFADRO COc1cc(C[NH2+]C[C@@]2(c3cnn(C)c3)CCCO2)cc(Br)c1O ZINC000898060788 663631888 /nfs/dbraw/zinc/63/18/88/663631888.db2.gz IODGJWXVKQIMAM-QGZVFWFLSA-N 1 0 396.285 2.692 20 0 GFADRO COc1cc(C[NH2+]CC[C@@H](O)C2CC2)cc(I)c1OC ZINC000898206025 663638231 /nfs/dbraw/zinc/63/82/31/663638231.db2.gz KBTSAZDRQQFLJN-CYBMUJFWSA-N 1 0 391.249 2.559 20 0 GFADRO CC(C)(C[NH2+]CCCn1ccc(=O)[nH]c1=O)c1ccc(Br)cc1 ZINC000898325007 663643696 /nfs/dbraw/zinc/64/36/96/663643696.db2.gz CECZBWHDWNVSFV-UHFFFAOYSA-N 1 0 380.286 2.669 20 0 GFADRO Brc1ccc(C[NH2+][C@H]2COC[C@H]2C2CC2)c(N2CCOCC2)c1 ZINC000898382341 663646274 /nfs/dbraw/zinc/64/62/74/663646274.db2.gz WDEKGKTYDKEAAZ-IRXDYDNUSA-N 1 0 381.314 2.800 20 0 GFADRO CN(C)[S@](C)(=O)=NCC1CC[NH+](Cc2c[nH]nc2-c2ccsc2)CC1 ZINC000898397737 663648197 /nfs/dbraw/zinc/64/81/97/663648197.db2.gz CTFOFMRQQWQBKA-RUZDIDTESA-N 1 0 381.571 2.925 20 0 GFADRO CC[C@@H](Cc1cccs1)[NH2+][C@@H]1CCS(=O)(=O)C2(CC(C(=O)OC)C2)C1 ZINC000898486651 663652136 /nfs/dbraw/zinc/65/21/36/663652136.db2.gz FHDKFLRGJDGAJT-QRHJNKNDSA-N 1 0 385.551 2.558 20 0 GFADRO Cn1cc(C[N@@H+]2CCCC[C@@H]([C@H]3CCOC3)C2)c(I)n1 ZINC000898511600 663653640 /nfs/dbraw/zinc/65/36/40/663653640.db2.gz CEGPJVGCACZVKC-OLZOCXBDSA-N 1 0 389.281 2.663 20 0 GFADRO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)N1CC([NH+]2CCCC2)C1 ZINC000898610075 663657803 /nfs/dbraw/zinc/65/78/03/663657803.db2.gz UQVPLFBXOBNKIY-UHFFFAOYSA-N 1 0 391.265 2.784 20 0 GFADRO O=C(NC1CC[NH+](C2CCOCC2)CC1)C(=O)c1cc(Cl)cc(Cl)c1 ZINC000898641803 663658646 /nfs/dbraw/zinc/65/86/46/663658646.db2.gz ZLNMMEITGNWUQD-UHFFFAOYSA-N 1 0 385.291 2.936 20 0 GFADRO CCn1cc(Br)cc1C(=O)NC1CC[NH+](C2CCOCC2)CC1 ZINC000898631525 663658688 /nfs/dbraw/zinc/65/86/88/663658688.db2.gz XBRAVBWERFRGEW-UHFFFAOYSA-N 1 0 384.318 2.644 20 0 GFADRO CC(C)(C)OC(=O)N[C@H]1C[C@@H](C[NH2+][C@@H]2CCc3ncc(Br)n3C2)C1 ZINC000898719466 663660253 /nfs/dbraw/zinc/66/02/53/663660253.db2.gz FXCGUGLLFDQURA-UPJWGTAASA-N 1 0 399.333 2.853 20 0 GFADRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+][C@H]2CCc3ncc(Br)n3C2)C1 ZINC000898723319 663660846 /nfs/dbraw/zinc/66/08/46/663660846.db2.gz DRZIWLYRFMAAHL-RYUDHWBXSA-N 1 0 385.306 2.559 20 0 GFADRO C[C@H](CC(=O)Nc1ccccc1)[NH2+][C@H]1CCc2ncc(Br)n2C1 ZINC000898723701 663661087 /nfs/dbraw/zinc/66/10/87/663661087.db2.gz HPEXNOFBRSTALD-OCCSQVGLSA-N 1 0 377.286 2.967 20 0 GFADRO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2CCc3ncc(Br)n3C2)C[C@H]1C ZINC000898723894 663661130 /nfs/dbraw/zinc/66/11/30/663661130.db2.gz JFSOTMIIRRUISX-ZOBORPQBSA-N 1 0 384.318 2.918 20 0 GFADRO Brc1cnc2n1C[C@@H]([NH2+]Cc1cnn(Cc3ccccc3)c1)CC2 ZINC000898726769 663661853 /nfs/dbraw/zinc/66/18/53/663661853.db2.gz MQHNJJHBKHALEI-INIZCTEOSA-N 1 0 386.297 2.995 20 0 GFADRO COc1cc(Br)c(C(=O)NCC(C)(C)n2ccnc2)cc1OC ZINC000898909064 663669050 /nfs/dbraw/zinc/66/90/50/663669050.db2.gz IJBBFKOALMHDRR-UHFFFAOYSA-N 1 0 382.258 2.828 20 0 GFADRO CCC1([NH+]2CCC2)CCN(C(=O)c2cnc(Br)c(OC)c2)CC1 ZINC000899559442 663693620 /nfs/dbraw/zinc/69/36/20/663693620.db2.gz RTZZDHMTIGLKEW-UHFFFAOYSA-N 1 0 382.302 2.943 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)c1cc2ncc(Br)cn2n1)c1cccs1 ZINC000899958358 663704568 /nfs/dbraw/zinc/70/45/68/663704568.db2.gz KMMUQSHTMBZNKW-LBPRGKRZSA-N 1 0 394.298 2.586 20 0 GFADRO O=C(CN1CSCCSC1)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000900271931 663711459 /nfs/dbraw/zinc/71/14/59/663711459.db2.gz HIOKZAQYEWRGGT-UHFFFAOYSA-N 1 0 383.558 2.603 20 0 GFADRO C[NH+]1CCC(NCc2cn(Cc3ccc(Br)c(Cl)c3)nn2)CC1 ZINC000900557370 663716916 /nfs/dbraw/zinc/71/69/16/663716916.db2.gz CKRKCYXFNIDUNO-UHFFFAOYSA-N 1 0 398.736 2.926 20 0 GFADRO Cc1cccc(Cn2cc(CNC3CC[NH+](C)CC3)nn2)c1Br ZINC000900607423 663717990 /nfs/dbraw/zinc/71/79/90/663717990.db2.gz JXWUIMGAWGYLBT-UHFFFAOYSA-N 1 0 378.318 2.581 20 0 GFADRO C[NH+](C)CC1(C(=O)N[C@H]2CCc3ncc(Br)n3C2)CCCCC1 ZINC000900924765 663725685 /nfs/dbraw/zinc/72/56/85/663725685.db2.gz UFVAQLXXAVYTHA-ZDUSSCGKSA-N 1 0 383.334 2.589 20 0 GFADRO CC[N@H+](C)[C@@H](C(=O)N[C@@H]1CCc2ncc(Br)n2C1)c1ccccc1 ZINC000900926120 663725932 /nfs/dbraw/zinc/72/59/32/663725932.db2.gz HNAMOJXTHPEJKR-RHSMWYFYSA-N 1 0 391.313 2.770 20 0 GFADRO O=C(NCCCOc1ncc(C(F)(F)F)cc1Cl)C12CC[NH+](CC1)C2 ZINC000901218709 663732443 /nfs/dbraw/zinc/73/24/43/663732443.db2.gz ZAPIBKMFXPRZKY-UHFFFAOYSA-N 1 0 377.794 2.735 20 0 GFADRO [NH3+][C@@H]1CCCN(Cc2cc(C(=O)Nc3ccccc3Br)no2)C1 ZINC000901390687 663735124 /nfs/dbraw/zinc/73/51/24/663735124.db2.gz UBZDKTMINBGYJE-LLVKDONJSA-N 1 0 379.258 2.613 20 0 GFADRO COc1cc([C@@H](C)NC[C@H]2CCCCC[NH2+]2)ccc1S(=O)(=O)C(F)F ZINC000902483038 663761981 /nfs/dbraw/zinc/76/19/81/663761981.db2.gz OQPRNRIXOFMZHO-TZMCWYRMSA-N 1 0 376.469 2.874 20 0 GFADRO CCn1cnc(C[NH2+]C[C@H](CO)Cc2cc(Br)ccc2OC)c1 ZINC000902583293 663763839 /nfs/dbraw/zinc/76/38/39/663763839.db2.gz AJRSZCSEQWCUJK-CYBMUJFWSA-N 1 0 382.302 2.615 20 0 GFADRO COC(=O)c1c2cnn(C[N@@H+](C)[C@H]3CC[C@@H]3OC)c2ccc1Br ZINC000902636336 663764887 /nfs/dbraw/zinc/76/48/87/663764887.db2.gz AKUWFGDZUCQFFC-KBPBESRZSA-N 1 0 382.258 2.652 20 0 GFADRO O=S(=O)(N1CCC(C[NH2+][C@@H](c2ccccn2)C2CC2)CC1)C(F)(F)F ZINC000903097396 663773505 /nfs/dbraw/zinc/77/35/05/663773505.db2.gz SFTQFMHGXGNSOZ-OAHLLOKOSA-N 1 0 377.432 2.684 20 0 GFADRO C[NH+](C)CCOc1ccc(NS(=O)(=O)C[C@]2(C)CC2(Cl)Cl)cc1 ZINC000903122943 663774697 /nfs/dbraw/zinc/77/46/97/663774697.db2.gz HAEIFHCNUJTMNK-AWEZNQCLSA-N 1 0 381.325 2.953 20 0 GFADRO CCO[C@@H]1COCC[C@H]1[NH2+][C@H](C)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000903152695 663776054 /nfs/dbraw/zinc/77/60/54/663776054.db2.gz PMNYSVFUNNOQMY-KCPJHIHWSA-N 1 0 381.416 2.825 20 0 GFADRO C[C@H]([NH2+]CC1([S@@](C)=O)CCC1)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000903167195 663776761 /nfs/dbraw/zinc/77/67/61/663776761.db2.gz IBXPLHPJESGIMS-BSNNYGBQSA-N 1 0 383.457 2.932 20 0 GFADRO Clc1cc(I)cc(C[NH2+][C@H]2CCO[C@]23CCOC3)c1 ZINC000903192900 663777757 /nfs/dbraw/zinc/77/77/57/663777757.db2.gz RIEOUPBFVRVMKR-KBPBESRZSA-N 1 0 393.652 2.982 20 0 GFADRO CN1C[C@H](CC[NH2+][C@H](c2cccc(Br)c2)[C@H]2CCOC2)CC1=O ZINC000903211925 663778623 /nfs/dbraw/zinc/77/86/23/663778623.db2.gz UWJDIVOVXXIQLW-QIIPPGSGSA-N 1 0 381.314 2.985 20 0 GFADRO C[C@H]([NH2+]C[C@H]1CCCC[C@H]1NS(C)(=O)=O)c1ncc(Br)s1 ZINC000903233562 663780021 /nfs/dbraw/zinc/78/00/21/663780021.db2.gz IMECHMUPHDRLPW-HBNTYKKESA-N 1 0 396.376 2.664 20 0 GFADRO CCCCC1([NH2+][C@H](C)c2cccc(N(S(C)(=O)=O)S(C)(=O)=O)c2)CC1 ZINC000903311359 663781327 /nfs/dbraw/zinc/78/13/27/663781327.db2.gz OQYZBLPVHKOALU-CQSZACIVSA-N 1 0 388.555 2.786 20 0 GFADRO C[C@H](NS(=O)(=O)c1c[nH]c2cc(Br)ccc21)[C@@H]1CCC[NH2+]C1 ZINC000903484339 663785582 /nfs/dbraw/zinc/78/55/82/663785582.db2.gz YMWINSAZUPZYOW-WDEREUQCSA-N 1 0 386.315 2.597 20 0 GFADRO O=S(=O)(c1c[nH]c2cc(Br)ccc21)N1CCC2(CC[NH2+]C2)CC1 ZINC000903498921 663785787 /nfs/dbraw/zinc/78/57/87/663785787.db2.gz DFEBAIRSCOJRFW-UHFFFAOYSA-N 1 0 398.326 2.695 20 0 GFADRO CC[NH2+]CC1CCN(S(=O)(=O)Cc2cccc(F)c2Br)CC1 ZINC000903513415 663786253 /nfs/dbraw/zinc/78/62/53/663786253.db2.gz LZJCYVOJBGQPNQ-UHFFFAOYSA-N 1 0 393.322 2.740 20 0 GFADRO CCC1([NH3+])CCN(S(=O)(=O)c2c[nH]c3cc(Br)ccc32)CC1 ZINC000903518035 663786746 /nfs/dbraw/zinc/78/67/46/663786746.db2.gz WNFXXSHCMZNKSG-UHFFFAOYSA-N 1 0 386.315 2.822 20 0 GFADRO COc1ccc(CN2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)c(Br)c1OC ZINC000903518883 663786890 /nfs/dbraw/zinc/78/68/90/663786890.db2.gz ZXZOKMXCNPFJDB-NXEZZACHSA-N 1 0 383.208 2.788 20 0 GFADRO Cc1cccc2cc(S(=O)(=O)N[C@H]3C[NH2+]CC4(CCOCC4)C3)sc21 ZINC000903543956 663788070 /nfs/dbraw/zinc/78/80/70/663788070.db2.gz DPMWIGXOSXPJLI-OAHLLOKOSA-N 1 0 380.535 2.647 20 0 GFADRO O=S(=O)(N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)c1cc(C(F)(F)F)ccc1Br ZINC000903564106 663788921 /nfs/dbraw/zinc/78/89/21/663788921.db2.gz PICBDSMFNZZIQQ-DVVUODLYSA-N 1 0 399.232 2.639 20 0 GFADRO [NH3+][C@H]1CN(S(=O)(=O)c2ccc(F)c(C(F)F)c2)CC[C@H]1C(F)(F)F ZINC000903581628 663790360 /nfs/dbraw/zinc/79/03/60/663790360.db2.gz ORSALSMIQMHHKR-KOLCDFICSA-N 1 0 376.322 2.664 20 0 GFADRO O=S(=O)(c1ccc(Br)c(Cl)c1)N1CCC[C@]12CC[NH2+]C2 ZINC000903593771 663791056 /nfs/dbraw/zinc/79/10/56/663791056.db2.gz VFHKKBWMWFCVTC-CYBMUJFWSA-N 1 0 379.707 2.619 20 0 GFADRO Cn1cc([C@@H]2CN(CCCCOc3ccc(Br)cc3)C[C@H]2[NH3+])cn1 ZINC000903764767 663806156 /nfs/dbraw/zinc/80/61/56/663806156.db2.gz WLTGNJYKYBNYCW-ZWKOTPCHSA-N 1 0 393.329 2.768 20 0 GFADRO CN(Cc1nc(-c2ccc(Br)s2)no1)C1(C[NH3+])CCOCC1 ZINC000903808442 663807205 /nfs/dbraw/zinc/80/72/05/663807205.db2.gz KZUYASJBBNKRKJ-UHFFFAOYSA-N 1 0 387.303 2.500 20 0 GFADRO [NH3+]C[C@@]12CC[C@@H]1CCCN2CC(=O)Nc1c(F)cc(F)cc1Br ZINC000903798368 663807265 /nfs/dbraw/zinc/80/72/65/663807265.db2.gz NJCYCUMKVKBCSG-QFYYESIMSA-N 1 0 388.256 2.869 20 0 GFADRO CN(Cc1cc(Br)ccc1OC(F)F)C1(C[NH3+])CCOCC1 ZINC000903808575 663807327 /nfs/dbraw/zinc/80/73/27/663807327.db2.gz NEJXBERWNYDTHQ-UHFFFAOYSA-N 1 0 379.245 2.990 20 0 GFADRO Brc1ccc2c(c1)CCN(Cc1cnnn1[C@@H]1CCC[NH2+]C1)C2 ZINC000903910538 663811201 /nfs/dbraw/zinc/81/12/01/663811201.db2.gz NGWGYJPSTCQJAR-MRXNPFEDSA-N 1 0 376.302 2.523 20 0 GFADRO CN(Cc1cnnn1[C@H]1CCC[NH2+]C1)Cc1ccc(F)cc1Br ZINC000903916006 663811454 /nfs/dbraw/zinc/81/14/54/663811454.db2.gz QJHPXZDJMHFVBZ-AWEZNQCLSA-N 1 0 382.281 2.736 20 0 GFADRO Fc1ccc2c(c1Br)CN(Cc1cnnn1[C@@H]1CCC[NH2+]C1)CC2 ZINC000903936374 663812769 /nfs/dbraw/zinc/81/27/69/663812769.db2.gz ZYZLCDLAQNSSBS-CYBMUJFWSA-N 1 0 394.292 2.663 20 0 GFADRO C[NH2+][C@@H](C)Cc1noc(-c2cc(Br)nn2-c2ncccc2Cl)n1 ZINC000904076570 663822917 /nfs/dbraw/zinc/82/29/17/663822917.db2.gz FGESECAXYCYAHM-QMMMGPOBSA-N 1 0 397.664 2.884 20 0 GFADRO COc1cc(Br)c(Cc2noc([C@@H]3[C@@H]4CC[NH2+]C[C@@H]43)n2)cc1OC ZINC000904101082 663824170 /nfs/dbraw/zinc/82/41/70/663824170.db2.gz LWWVBZAYLKEWTJ-OHUAYANFSA-N 1 0 394.269 2.763 20 0 GFADRO COC[C@H]1C[NH2+]CCN1C(=O)Nc1ccc(Cl)cc1OCC(F)(F)F ZINC000904340971 663830985 /nfs/dbraw/zinc/83/09/85/663830985.db2.gz GZDQXDRCLZSLIJ-LLVKDONJSA-N 1 0 381.782 2.733 20 0 GFADRO CN(C(=O)Nc1cc(F)c(Br)cc1F)C1(C[NH3+])CCOCC1 ZINC000904392123 663832357 /nfs/dbraw/zinc/83/23/57/663832357.db2.gz NOSPBJUYRYKJOE-UHFFFAOYSA-N 1 0 378.217 2.699 20 0 GFADRO [NH3+]C[C@]12CC[C@H]1CCN2C(=O)Nc1cnn(-c2ccccc2Br)c1 ZINC000904392926 663832523 /nfs/dbraw/zinc/83/25/23/663832523.db2.gz DJKHISXLWUHTNJ-YVEFUNNKSA-N 1 0 390.285 2.980 20 0 GFADRO [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)Nc1cnn(-c3ccccc3Br)c1)C2 ZINC000904393587 663832563 /nfs/dbraw/zinc/83/25/63/663832563.db2.gz YOPGJGAFMQHCIE-OBJOEFQTSA-N 1 0 390.285 2.978 20 0 GFADRO COC(=O)c1cc(NC(=O)NC2(C3CC[NH2+]CC3)CC2)ccc1Br ZINC000904407074 663833052 /nfs/dbraw/zinc/83/30/52/663833052.db2.gz MXQWPZHOUAMWHV-UHFFFAOYSA-N 1 0 396.285 2.889 20 0 GFADRO COCCOc1ccc(Br)cc1NC(=O)N1CC[C@@H]2CC[C@]21C[NH3+] ZINC000904411346 663833420 /nfs/dbraw/zinc/83/34/20/663833420.db2.gz UVYOPHDCHXWFQJ-SJCJKPOMSA-N 1 0 398.301 2.819 20 0 GFADRO COC(=O)c1c(C)c(NC(=O)N2CC[C@@H]3CC[C@]32C[NH3+])ccc1Br ZINC000904442503 663834523 /nfs/dbraw/zinc/83/45/23/663834523.db2.gz DGEXFUJRQSNSJB-GTNSWQLSSA-N 1 0 396.285 2.889 20 0 GFADRO COC(=O)c1cccc(NC(=O)N2CC[C@@H]3CC[C@@]32C[NH3+])c1Br ZINC000904448573 663834827 /nfs/dbraw/zinc/83/48/27/663834827.db2.gz BOZUAQQFFNPNLM-MGPLVRAMSA-N 1 0 382.258 2.581 20 0 GFADRO COC[C@H]1C[NH2+]CCN1C(=O)Nc1ccc(OCC(F)(F)F)c(Cl)c1 ZINC000904476164 663835672 /nfs/dbraw/zinc/83/56/72/663835672.db2.gz RPLUJIDDAPHNQZ-LLVKDONJSA-N 1 0 381.782 2.733 20 0 GFADRO COCC[C@H]1C[NH2+]CCN1C(=O)Nc1ccc(Br)c(C2CC2)n1 ZINC000904484771 663836050 /nfs/dbraw/zinc/83/60/50/663836050.db2.gz PXBYLKLSZUKCIJ-LBPRGKRZSA-N 1 0 383.290 2.564 20 0 GFADRO COCCOc1ccc(NC(=O)N(C)[C@@H](C[NH3+])C2CC2)cc1Br ZINC000904551515 663837963 /nfs/dbraw/zinc/83/79/63/663837963.db2.gz MTMAQKUOUSDRIY-AWEZNQCLSA-N 1 0 386.290 2.675 20 0 GFADRO COCCOc1ccc(NC(=O)N[C@H]2C[NH2+]CC[C@@H]2C)cc1Br ZINC000904552802 663838191 /nfs/dbraw/zinc/83/81/91/663838191.db2.gz YYHDCFXEHXZDKU-FZMZJTMJSA-N 1 0 386.290 2.594 20 0 GFADRO O[C@H](CCC1(O)CCC1)C[NH2+]C[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000905067854 663851272 /nfs/dbraw/zinc/85/12/72/663851272.db2.gz IQZVUYJKUFUQPH-CRAIPNDOSA-N 1 0 397.357 2.921 20 0 GFADRO CC[C@H](C[NH2+]C[C@H](O)C[C@]1(O)CCOC1)Cc1cccc(Br)c1 ZINC000905128591 663854127 /nfs/dbraw/zinc/85/41/27/663854127.db2.gz SKJIJKIPMWZYEQ-BMGDILEWSA-N 1 0 386.330 2.510 20 0 GFADRO O[C@@H](C[NH2+]CCOc1c(Cl)cc(Cl)cc1Cl)C1(O)CCOCC1 ZINC000905154802 663855791 /nfs/dbraw/zinc/85/57/91/663855791.db2.gz QIHQTFIBCLABMK-ZDUSSCGKSA-N 1 0 384.687 2.518 20 0 GFADRO O[C@@H](C[NH2+]CCSCc1ccc(Cl)cc1Cl)C[C@@]1(O)CCOC1 ZINC000905198699 663858054 /nfs/dbraw/zinc/85/80/54/663858054.db2.gz BJDJLIJBEKFNOT-ZBFHGGJFSA-N 1 0 380.337 2.719 20 0 GFADRO Cc1ccc(S(=O)(=O)C[C@@H](C)[NH2+]C[C@](C)(O)C(F)(F)C(F)(F)F)cc1 ZINC000905220109 663859926 /nfs/dbraw/zinc/85/99/26/663859926.db2.gz PENSZVDUFNKIKR-YPMHNXCESA-N 1 0 389.386 2.695 20 0 GFADRO C[C@](O)(C[NH2+]CCCn1cc(Br)cn1)C(F)(F)C(F)(F)F ZINC000905260350 663863123 /nfs/dbraw/zinc/86/31/23/663863123.db2.gz AFVKGFISSHUXFV-VIFPVBQESA-N 1 0 380.155 2.574 20 0 GFADRO O[C@@H](C[NH2+]C[C@H]1CCC2(CCOCC2)[C@@H]1O)c1ccc(Br)cc1 ZINC000905369882 663867927 /nfs/dbraw/zinc/86/79/27/663867927.db2.gz DGPQKDBKRVYUAH-HYVNUMGLSA-N 1 0 384.314 2.640 20 0 GFADRO CC(C)(C)OC(=O)N1CCC(F)(F)[C@@H](C[NH2+]C[C@](C)(O)C(F)(F)F)C1 ZINC000905493060 663873811 /nfs/dbraw/zinc/87/38/11/663873811.db2.gz QFECHFTXUFJHPW-GWCFXTLKSA-N 1 0 376.366 2.782 20 0 GFADRO CCCS(=O)(=O)c1ccccc1S(=O)(=O)CC[NH2+]CCC1CC=CC1 ZINC000905580853 663879466 /nfs/dbraw/zinc/87/94/66/663879466.db2.gz VABKZVSPUHFBFX-UHFFFAOYSA-N 1 0 385.551 2.590 20 0 GFADRO O[C@@H](C[NH2+]C[C@H]1CCC2(CCOCC2)O1)c1ccc(F)c(Br)c1 ZINC000905598153 663880404 /nfs/dbraw/zinc/88/04/04/663880404.db2.gz UORPOXLFOJXSSJ-CJNGLKHVSA-N 1 0 388.277 2.939 20 0 GFADRO O[C@H](CC[NH2+]C[C@H](O)COc1ccc(Cl)cc1Br)C1CC1 ZINC000905689895 663886391 /nfs/dbraw/zinc/88/63/91/663886391.db2.gz CLLUZAKJPZTPPL-GXTWGEPZSA-N 1 0 378.694 2.593 20 0 GFADRO COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@@H](O)COc2ccc(Br)cc2)C1 ZINC000905709885 663888193 /nfs/dbraw/zinc/88/81/93/663888193.db2.gz POFCIPGRJZBEIA-VHDGCEQUSA-N 1 0 386.286 2.510 20 0 GFADRO [NH3+]C1CCN(Cc2cn([C@H]3CCCc4ccc(Br)cc43)nn2)CC1 ZINC000905806734 663893374 /nfs/dbraw/zinc/89/33/74/663893374.db2.gz DGHZAEVNIQKDLD-SFHVURJKSA-N 1 0 390.329 2.889 20 0 GFADRO NC(=O)[C@H]([NH2+]C[C@@H]1CC[C@H](C(F)(F)F)O1)c1ccc(Br)cc1 ZINC000905850508 663896597 /nfs/dbraw/zinc/89/65/97/663896597.db2.gz IRNMGLZNGYIVCA-QJPTWQEYSA-N 1 0 381.192 2.675 20 0 GFADRO O=C(CC1CS(=O)(=O)C1)N(CCC[NH+]1CCCC1)c1ccc(Cl)cc1 ZINC000905936664 663902451 /nfs/dbraw/zinc/90/24/51/663902451.db2.gz WQCVLBHZFLVHKT-UHFFFAOYSA-N 1 0 384.929 2.594 20 0 GFADRO C[NH+](C)Cc1ccccc1NS(=O)(=O)N=[S@](C)(=O)c1ccccc1F ZINC000906058295 663915749 /nfs/dbraw/zinc/91/57/49/663915749.db2.gz UHKSSAMHWFTBGK-XMMPIXPASA-N 1 0 385.486 2.701 20 0 GFADRO C[C@H](CNC(=O)c1cc(Br)cn(C2CC2)c1=O)[N@@H+]1CCCC[C@@H]1C ZINC000906150604 663929487 /nfs/dbraw/zinc/92/94/87/663929487.db2.gz OAAHPHQGKHQNFE-QWHCGFSZSA-N 1 0 396.329 2.938 20 0 GFADRO C[C@@H](CNC(=O)c1nscc1I)[N@@H+]1CCC[C@@H](C)C1 ZINC000906169672 663930371 /nfs/dbraw/zinc/93/03/71/663930371.db2.gz YUXOVAUVDQXQDH-ZJUUUORDSA-N 1 0 393.294 2.598 20 0 GFADRO CCOc1cc(Br)ccc1NC(=O)C1(n2cccn2)CC[NH2+]CC1 ZINC000906216750 663932450 /nfs/dbraw/zinc/93/24/50/663932450.db2.gz KFPDDVMDTSUCEA-UHFFFAOYSA-N 1 0 393.285 2.762 20 0 GFADRO COc1cc(C(=O)N(C)c2cc(C[NH3+])ccn2)cc(Br)c1OC ZINC000906229388 663933038 /nfs/dbraw/zinc/93/30/38/663933038.db2.gz LKFOLUMFULZUKD-UHFFFAOYSA-N 1 0 380.242 2.597 20 0 GFADRO CCC[NH+]1CCC(N(C)C(=O)c2nscc2I)CC1 ZINC000906371876 663942366 /nfs/dbraw/zinc/94/23/66/663942366.db2.gz RJEZFAHEAJMQPR-UHFFFAOYSA-N 1 0 393.294 2.694 20 0 GFADRO C[NH+](C)C[C@@H]1CCN(C(=O)c2ccc(Cn3cc(Br)cn3)s2)C1 ZINC000906693980 663965599 /nfs/dbraw/zinc/96/55/99/663965599.db2.gz UUXUHQZCRYEWGH-LBPRGKRZSA-N 1 0 397.342 2.779 20 0 GFADRO Cc1ccc(-c2csc(NC(=O)C(=O)NC[C@H]3CCCCC[NH2+]3)n2)s1 ZINC000906739679 663968033 /nfs/dbraw/zinc/96/80/33/663968033.db2.gz OPUSGIFBDRZSFS-GFCCVEGCSA-N 1 0 378.523 2.767 20 0 GFADRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)c1nscc1I ZINC000906816807 663973548 /nfs/dbraw/zinc/97/35/48/663973548.db2.gz HXYKMSQMCWUXRN-JTQLQIEISA-N 1 0 393.294 2.694 20 0 GFADRO C[N@@H+]1CCC[C@H]2CN(C(=O)C(F)(F)c3ncccc3Br)CC[C@H]21 ZINC000907038144 663995375 /nfs/dbraw/zinc/99/53/75/663995375.db2.gz RACCZFPQMVEWBJ-WCQYABFASA-N 1 0 388.256 2.879 20 0 GFADRO CN1CCO[C@@H]([C@H](NC(=O)c2nccnc2Cl)c2ccc(Cl)cc2)C1 ZINC000907179274 664009654 /nfs/dbraw/zinc/00/96/54/664009654.db2.gz DVSVIIPMWYGGQW-ZIAGYGMSSA-N 1 0 381.263 2.585 20 0 GFADRO CCC(F)(F)C(C)(C)CS(=O)(=O)NC1CC[NH+](C2CCOCC2)CC1 ZINC000907330846 664024056 /nfs/dbraw/zinc/02/40/56/664024056.db2.gz XEWPXBARMAVMHR-UHFFFAOYSA-N 1 0 382.517 2.621 20 0 GFADRO Cc1ccc(C[N@H+]2CC[C@H](CN(C)S(=O)(=O)[C@H]3COC(C)(C)C3)C2)s1 ZINC000907345790 664025926 /nfs/dbraw/zinc/02/59/26/664025926.db2.gz JKNPPVMXBITVMH-NVXWUHKLSA-N 1 0 386.583 2.708 20 0 GFADRO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)S(=O)(=O)c3c(C)n[nH]c3C)C2)s1 ZINC000907346471 664026315 /nfs/dbraw/zinc/02/63/15/664026315.db2.gz NHMABUQWENXEOU-HNNXBMFYSA-N 1 0 382.555 2.539 20 0 GFADRO COc1cc(C)c(Br)cc1NC(=O)c1ccnn1CC[NH+](C)C ZINC000907397568 664031297 /nfs/dbraw/zinc/03/12/97/664031297.db2.gz LVDGDFFPDBWPKZ-UHFFFAOYSA-N 1 0 381.274 2.777 20 0 GFADRO C[C@H]1[C@@H](NC(=O)c2cn(C)nc2Br)CC[N@@H+]1Cc1ccccc1 ZINC000908231733 664093542 /nfs/dbraw/zinc/09/35/42/664093542.db2.gz ZGXJOEPUUNFIMJ-WFASDCNBSA-N 1 0 377.286 2.575 20 0 GFADRO O=S(=O)(N[C@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1)c1ccns1 ZINC000908496365 664110468 /nfs/dbraw/zinc/11/04/68/664110468.db2.gz GELSLTQLOJFHJD-IKGGRYGDSA-N 1 0 377.535 2.722 20 0 GFADRO CC(C)[NH2+]C1(CO)CCN(C(=O)c2c[nH]nc2-c2ccc(Cl)s2)CC1 ZINC000908600927 664116743 /nfs/dbraw/zinc/11/67/43/664116743.db2.gz ZLQORJQEQITRNO-UHFFFAOYSA-N 1 0 382.917 2.757 20 0 GFADRO C[C@H](CNC(=O)C(=O)N1C[C@@H](C)[C@H](CC[NH3+])C1)c1c(Cl)cccc1Cl ZINC000911187158 664238056 /nfs/dbraw/zinc/23/80/56/664238056.db2.gz NCLIDIQMKWAFHQ-JHJVBQTASA-N 1 0 386.323 2.656 20 0 GFADRO O=C(c1c(Cl)ccc(I)c1F)N1CCC[NH2+]CC1 ZINC000911655806 664251760 /nfs/dbraw/zinc/25/17/60/664251760.db2.gz IQSUSDRCGVLJHB-UHFFFAOYSA-N 1 0 382.604 2.519 20 0 GFADRO COc1ccccc1[C@H]([NH3+])CNC(=O)c1nc(C2CC2)ncc1Br ZINC000911664711 664251816 /nfs/dbraw/zinc/25/18/16/664251816.db2.gz MCRAIZSVPXQBIB-CYBMUJFWSA-N 1 0 391.269 2.555 20 0 GFADRO O=C(c1cc(Br)c2nccnc2c1)N(C1CC1)C1CC[NH2+]CC1 ZINC000911677748 664252508 /nfs/dbraw/zinc/25/25/08/664252508.db2.gz OCCCBFJVQJQVSF-UHFFFAOYSA-N 1 0 375.270 2.749 20 0 GFADRO Cc1cc(C(=O)N(C)C2CC[NH2+]CC2)nn1-c1ccccc1Br ZINC000911693195 664253415 /nfs/dbraw/zinc/25/34/15/664253415.db2.gz FULKHVKJHQJEMP-UHFFFAOYSA-N 1 0 377.286 2.767 20 0 GFADRO C[C@@H](NC(=O)c1cc2ccc(Br)cc2c(=O)o1)[C@H]1CCC[NH2+]C1 ZINC000911726582 664254315 /nfs/dbraw/zinc/25/43/15/664254315.db2.gz UEZPMUMUTRJVRE-PWSUYJOCSA-N 1 0 379.254 2.673 20 0 GFADRO O=C(Nc1ccc(N2CC[NH2+]CC2)cn1)c1cc(F)cc(Br)c1F ZINC000911735131 664254764 /nfs/dbraw/zinc/25/47/64/664254764.db2.gz GPDYWCWNNYZADW-UHFFFAOYSA-N 1 0 397.223 2.784 20 0 GFADRO C[C@@H]([NH3+])C1CCN(C(=O)[C@H](C)c2ccc(I)cc2)CC1 ZINC000911761162 664255709 /nfs/dbraw/zinc/25/57/09/664255709.db2.gz LNTMZHMHPIXRBM-VXGBXAGGSA-N 1 0 386.277 2.981 20 0 GFADRO CC[NH2+]CC1CCN(C(=O)C[C@H]2C(=O)Nc3ccc(Br)cc32)CC1 ZINC000911863932 664259556 /nfs/dbraw/zinc/25/95/56/664259556.db2.gz LBMGKJMGTSFGGB-OAHLLOKOSA-N 1 0 394.313 2.723 20 0 GFADRO C[C@H](CNc1ccc(-c2nnc(Br)o2)cc1)C[NH+]1CCOCC1 ZINC000911929562 664262132 /nfs/dbraw/zinc/26/21/32/664262132.db2.gz XUKMJFGAIVRBHP-GFCCVEGCSA-N 1 0 381.274 2.879 20 0 GFADRO C[NH+]1CCC(N(CCO)C(=O)Cc2c(Cl)cccc2Br)CC1 ZINC000911945813 664263302 /nfs/dbraw/zinc/26/33/02/664263302.db2.gz JMUAUESATKDNTC-UHFFFAOYSA-N 1 0 389.721 2.560 20 0 GFADRO CCN(C(=O)c1cc(Br)cn(CC[NH3+])c1=O)c1ccccc1C ZINC000911948842 664263574 /nfs/dbraw/zinc/26/35/74/664263574.db2.gz SWOZRLIEGNFHRT-UHFFFAOYSA-N 1 0 378.270 2.545 20 0 GFADRO CCOC(=O)CSc1nnc(NC(=O)CCCCC2CC[NH2+]CC2)s1 ZINC000911969970 664264209 /nfs/dbraw/zinc/26/42/09/664264209.db2.gz CBLJNGOYWBNCBE-UHFFFAOYSA-N 1 0 386.543 2.692 20 0 GFADRO O=C(NCc1cc(Cl)ccc1I)C12CC[NH+](CC1)C2 ZINC000912292949 664280185 /nfs/dbraw/zinc/28/01/85/664280185.db2.gz QTTPPMBIFZCVSI-UHFFFAOYSA-N 1 0 390.652 2.657 20 0 GFADRO O=C(C[C@@]1(O)CCC[NH2+]C1)N(Cc1cc(Br)ccc1F)C1CC1 ZINC000912331394 664282051 /nfs/dbraw/zinc/28/20/51/664282051.db2.gz TVHROOWLCCWJLR-KRWDZBQOSA-N 1 0 385.277 2.584 20 0 GFADRO [NH3+]CCN1CCC[C@H](C(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)C1=O ZINC000912394374 664284675 /nfs/dbraw/zinc/28/46/75/664284675.db2.gz NNWRPORIQFIWMV-XJKSGUPXSA-N 1 0 384.307 2.854 20 0 GFADRO Cc1cc(C(=O)N2CCC(CO)([NH2+]CC(C)C)CC2)ccc1Br ZINC000912590156 664294211 /nfs/dbraw/zinc/29/42/11/664294211.db2.gz NWNQXMUQXIJOIF-UHFFFAOYSA-N 1 0 383.330 2.970 20 0 GFADRO CC[C@@H](C(=O)N[C@@H](c1nccn1C)c1ccc(Br)cc1)[NH+](C)C ZINC000912677754 664296442 /nfs/dbraw/zinc/29/64/42/664296442.db2.gz YQHNIQUZIQOXEH-LSDHHAIUSA-N 1 0 379.302 2.728 20 0 GFADRO C[C@@H](C[NH+](C)C)[C@@H]1CCCCN1C(=O)c1c(Br)nc2n1CCC2 ZINC000912807062 664303050 /nfs/dbraw/zinc/30/30/50/664303050.db2.gz XXBHQLQWZXLYSV-STQMWFEESA-N 1 0 383.334 2.784 20 0 GFADRO Cc1c(Br)cc(C(=O)N2CCCC[C@@H]2[C@H](C)C[NH+](C)C)c(=O)n1C ZINC000912805918 664303069 /nfs/dbraw/zinc/30/30/69/664303069.db2.gz BVQBNKJGOKNJLS-MLGOLLRUSA-N 1 0 398.345 2.649 20 0 GFADRO C[NH+]1C[C@]2(C)CN(C(=O)C(F)(F)c3ncccc3Br)C[C@@]2(C)C1 ZINC000913272642 664330657 /nfs/dbraw/zinc/33/06/57/664330657.db2.gz CAGYRCHHFHXNIK-HUUCEWRRSA-N 1 0 388.256 2.736 20 0 GFADRO C[NH+]1C[C@@]2(C)CN(C(=O)c3cn4ccc(Br)cc4n3)C[C@]2(C)C1 ZINC000913278404 664331080 /nfs/dbraw/zinc/33/10/80/664331080.db2.gz GCWDQMZSQLVXHA-IRXDYDNUSA-N 1 0 377.286 2.511 20 0 GFADRO C[NH+](C)C1(C)CCN(C(=O)c2ccc(I)cc2O)CC1 ZINC000913387681 664334293 /nfs/dbraw/zinc/33/42/93/664334293.db2.gz QMLNCYLIPNHOHV-UHFFFAOYSA-N 1 0 388.249 2.553 20 0 GFADRO C[NH+](C)C1(C)CCN(C(=O)c2cnnn2-c2ccccc2Br)CC1 ZINC000913387896 664334364 /nfs/dbraw/zinc/33/43/64/664334364.db2.gz WYFUDHNLLSXGMY-UHFFFAOYSA-N 1 0 392.301 2.586 20 0 GFADRO CCn1c(Br)ncc1C(=O)N1CC2(C1)C[NH+](Cc1ccccc1)C2 ZINC000913429406 664337105 /nfs/dbraw/zinc/33/71/05/664337105.db2.gz XTJLSKODJDKSRZ-UHFFFAOYSA-N 1 0 389.297 2.624 20 0 GFADRO CN1C[C@H]2CC[C@@H](C1)N2C(=O)CSc1nnc(-c2ccc(Cl)cc2)o1 ZINC000913538764 664342921 /nfs/dbraw/zinc/34/29/21/664342921.db2.gz NRQSXDSRZDGCJM-OKILXGFUSA-N 1 0 378.885 2.787 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C(=O)NC12CC[NH+](CC1)C2 ZINC000913632136 664347101 /nfs/dbraw/zinc/34/71/01/664347101.db2.gz QTTYYSPOQGVWDT-UHFFFAOYSA-N 1 0 375.270 2.521 20 0 GFADRO Cn1ncc(Br)c1CNC(=O)c1ccc(NC2=[NH+]CCC2)cc1 ZINC000913649570 664347676 /nfs/dbraw/zinc/34/76/76/664347676.db2.gz QSSDGMONEFZNFG-UHFFFAOYSA-N 1 0 376.258 2.717 20 0 GFADRO C[NH+](C)CC1(O)CCN(C(=O)Cc2c(Cl)cccc2Br)CC1 ZINC000913675625 664348878 /nfs/dbraw/zinc/34/88/78/664348878.db2.gz BDYIXAWXVHCTOO-UHFFFAOYSA-N 1 0 389.721 2.560 20 0 GFADRO O=C(CCc1cc(Br)cs1)N1CC[NH+](CCCCCO)CC1 ZINC000913691288 664350575 /nfs/dbraw/zinc/35/05/75/664350575.db2.gz RFXVLMLQMIFJDW-UHFFFAOYSA-N 1 0 389.359 2.750 20 0 GFADRO CC(C)[NH+]1CCC(NC(=O)N2CCC[C@H]2c2ncc(Br)cn2)CC1 ZINC000913881310 664363015 /nfs/dbraw/zinc/36/30/15/664363015.db2.gz SQCGMUPKIIRRRO-HNNXBMFYSA-N 1 0 396.333 2.958 20 0 GFADRO COc1cc(Br)cc(CNC(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000914161123 664380483 /nfs/dbraw/zinc/38/04/83/664380483.db2.gz RBDGHWMMJRUEMZ-GFCCVEGCSA-N 1 0 382.302 2.741 20 0 GFADRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)N1CCC[C@@H]1c1ncc(Br)cn1 ZINC000914218752 664387191 /nfs/dbraw/zinc/38/71/91/664387191.db2.gz GFCNVWZIZLHLAQ-RBSFLKMASA-N 1 0 394.317 2.712 20 0 GFADRO CN(CCCC[NH+](C)C)S(=O)(=O)Cc1ccc(F)cc1Br ZINC000914225460 664387806 /nfs/dbraw/zinc/38/78/06/664387806.db2.gz MGWZZIKFMRMHQP-UHFFFAOYSA-N 1 0 381.311 2.692 20 0 GFADRO C[C@@H]1C[C@@H](NS(=O)(=O)Cc2ccsc2Br)C[N@@H+]1C1CC1 ZINC000914237313 664389432 /nfs/dbraw/zinc/38/94/32/664389432.db2.gz SMMJEQMPLAIIFY-MWLCHTKSSA-N 1 0 379.345 2.555 20 0 GFADRO CC[N@@H+]1CCC[C@H](NC(=O)N2CCCC[C@@H]2c2ncc(Br)cn2)C1 ZINC000914315908 664398415 /nfs/dbraw/zinc/39/84/15/664398415.db2.gz CUEKTRBCWDFZKQ-LSDHHAIUSA-N 1 0 396.333 2.960 20 0 GFADRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCc2cnc(Br)cn2)C1 ZINC000914336156 664400649 /nfs/dbraw/zinc/40/06/49/664400649.db2.gz YFUJTRIINVRNCR-GFCCVEGCSA-N 1 0 384.322 2.549 20 0 GFADRO O=C(NC1CC[NH+](C[C@H]2CCCO2)CC1)c1ccc(F)cc1Br ZINC000915622083 664435667 /nfs/dbraw/zinc/43/56/67/664435667.db2.gz OEANDUUFNCBSKN-CQSZACIVSA-N 1 0 385.277 2.961 20 0 GFADRO C[C@@H]([NH2+]C(C)(C)CO)C(=O)Nc1ccc(Br)cc1Br ZINC000916572435 664465149 /nfs/dbraw/zinc/46/51/49/664465149.db2.gz HMTBDSLAKRRVCY-MRVPVSSYSA-N 1 0 394.107 2.899 20 0 GFADRO C[C@H]1C[C@H](C)C[NH+](CCCNS(=O)(=O)c2c(Cl)nc3ccccn32)C1 ZINC000917651619 664487745 /nfs/dbraw/zinc/48/77/45/664487745.db2.gz CSPSTUNKNGIGQJ-KBPBESRZSA-N 1 0 384.933 2.634 20 0 GFADRO Cc1ccccc1C[NH+]1CCC(NC(=O)Cn2ccnc2Br)CC1 ZINC000919890569 664519187 /nfs/dbraw/zinc/51/91/87/664519187.db2.gz IPLHOBIUCUJCJJ-UHFFFAOYSA-N 1 0 391.313 2.735 20 0 GFADRO CS(=O)(=O)c1ccc([C@@H](O)C[NH2+][C@H]2CCOc3c(Cl)cccc32)cc1 ZINC000920094273 664522151 /nfs/dbraw/zinc/52/21/51/664522151.db2.gz CBFWFTPWHCBXSK-IRXDYDNUSA-N 1 0 381.881 2.890 20 0 GFADRO C[C@@H]1C[C@H](NC(=O)N2CCC[C@@H]2c2ncc(Br)cn2)CC[N@@H+]1C ZINC000920406036 664525975 /nfs/dbraw/zinc/52/59/75/664525975.db2.gz XBOQIWQBPFLYAV-MRVWCRGKSA-N 1 0 382.306 2.568 20 0 GFADRO CN1CCC(CNC(=O)NCc2cnc(Cl)s2)([NH+]2CCCCC2)CC1 ZINC000920604385 664528425 /nfs/dbraw/zinc/52/84/25/664528425.db2.gz SQMKFRNFQAWFLX-UHFFFAOYSA-N 1 0 385.965 2.546 20 0 GFADRO C[C@H]1CCC[C@](CNC(=O)c2ccc(Cl)c(S(C)(=O)=O)c2)([NH+](C)C)C1 ZINC000920742554 664530054 /nfs/dbraw/zinc/53/00/54/664530054.db2.gz VMOBZNTWLKYBOU-UGSOOPFHSA-N 1 0 386.945 2.984 20 0 GFADRO O=C(Cn1cc(Br)ccc1=O)NCCCCCCC[NH+]1CCCC1 ZINC000921087950 664536662 /nfs/dbraw/zinc/53/66/62/664536662.db2.gz OMUFUOBJABSYNG-UHFFFAOYSA-N 1 0 398.345 2.773 20 0 GFADRO C[C@@H]1C[C@@H](NC(=O)N2CCC[C@H]2c2ncc(Br)cn2)C[N@@H+]1C1CC1 ZINC000921384686 664545164 /nfs/dbraw/zinc/54/51/64/664545164.db2.gz VEWBQOVOEYNZJC-KYOSRNDESA-N 1 0 394.317 2.711 20 0 GFADRO C[NH+](C)CC[C@@H](NS(=O)(=O)c1c(Cl)ccnc1Cl)c1cccnc1 ZINC000921481127 664550176 /nfs/dbraw/zinc/55/01/76/664550176.db2.gz BIUZZFHLTMAPSP-CYBMUJFWSA-N 1 0 389.308 2.755 20 0 GFADRO C[NH+](C)CC[C@@H](NS(=O)(=O)c1ccc(Br)cc1)c1cccnc1 ZINC000921480105 664550204 /nfs/dbraw/zinc/55/02/04/664550204.db2.gz ZFXMNIDPGSHJFB-MRXNPFEDSA-N 1 0 398.326 2.815 20 0 GFADRO O=C(NCc1csc(-c2ccco2)n1)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000921506515 664551214 /nfs/dbraw/zinc/55/12/14/664551214.db2.gz HSZWZGHDALGQGC-KGLIPLIRSA-N 1 0 378.523 2.782 20 0 GFADRO Cc1nc(C[NH2+]C[C@H](C(C)C)N2CCN(C)CC2)sc1Br ZINC000921522477 664552033 /nfs/dbraw/zinc/55/20/33/664552033.db2.gz RDZHIZDHBTUJHR-CYBMUJFWSA-N 1 0 375.380 2.576 20 0 GFADRO Cc1cc(C[NH2+][C@@H]2CCc3ncnn3C2)c(C)cc1I ZINC000921700305 664561766 /nfs/dbraw/zinc/56/17/66/664561766.db2.gz LTLQUCQOXFWPJH-CYBMUJFWSA-N 1 0 382.249 2.604 20 0 GFADRO Cc1cccc(C[NH2+]C[C@@H]2CCC[C@]23NC(=O)N(C)C3=O)c1Br ZINC000921815363 664570212 /nfs/dbraw/zinc/57/02/12/664570212.db2.gz ZJZAISJDPQSKMV-GUYCJALGSA-N 1 0 380.286 2.568 20 0 GFADRO Cc1nc(C[NH2+]C[C@H](Cc2ccc(F)cc2)C(N)=O)sc1Br ZINC000921947578 664578152 /nfs/dbraw/zinc/57/81/52/664578152.db2.gz JCIIYJVNTPLCLB-NSHDSACASA-N 1 0 386.290 2.787 20 0 GFADRO CCOCCOC[C@@H](O)C[NH2+]Cc1cc2c(cc(F)cc2Br)[nH]1 ZINC000922050633 664582977 /nfs/dbraw/zinc/58/29/77/664582977.db2.gz ADUJJRBMDHIIOI-ZDUSSCGKSA-N 1 0 389.265 2.573 20 0 GFADRO Cn1nc2c(c1C[NH2+]C[C@@H](CO)Cc1cccc(Br)c1)CCC2 ZINC000922057592 664583124 /nfs/dbraw/zinc/58/31/24/664583124.db2.gz DLHZYZBGXCKRGX-AWEZNQCLSA-N 1 0 378.314 2.612 20 0 GFADRO Cc1nc(C[NH2+]C[C@H]2CCC3(CCOCC3)[C@H]2O)sc1Br ZINC000922111444 664586478 /nfs/dbraw/zinc/58/64/78/664586478.db2.gz YDXAOHXAMCRLIE-YPMHNXCESA-N 1 0 375.332 2.871 20 0 GFADRO Cn1nc2c(c1C[NH2+][C@]1(CO)CCc3cc(Br)ccc3C1)CCC2 ZINC000922283518 664593011 /nfs/dbraw/zinc/59/30/11/664593011.db2.gz CEUGVSNINZQJEY-LJQANCHMSA-N 1 0 390.325 2.681 20 0 GFADRO Cn1nccc1[C@@H]1[C@@H]([NH2+]Cc2cc(F)cc(Br)c2)CCC(=O)N1C ZINC000922406717 664600079 /nfs/dbraw/zinc/60/00/79/664600079.db2.gz RZVASWHVNAWVRP-YOEHRIQHSA-N 1 0 395.276 2.773 20 0 GFADRO Cn1nccc1[C@@H]1[C@@H]([NH2+]Cc2cc(Cl)cc(Cl)c2N)CCC(=O)N1C ZINC000922406110 664600139 /nfs/dbraw/zinc/60/01/39/664600139.db2.gz NNXKBPLKWYOVLK-GUYCJALGSA-N 1 0 382.295 2.761 20 0 GFADRO Brc1ccn2cc(C[NH2+][C@H]3CCCN4CCSC[C@H]34)nc2c1 ZINC000922522224 664605575 /nfs/dbraw/zinc/60/55/75/664605575.db2.gz AVOHBTZLOSPVQL-LSDHHAIUSA-N 1 0 381.343 2.766 20 0 GFADRO Brc1ccc(C[NH2+]C[C@@H]2C=C[C@H]3C[C@@H]2CO3)c(N2CCOCC2)c1 ZINC000922719513 664612004 /nfs/dbraw/zinc/61/20/04/664612004.db2.gz IVLGZXDZVCWGDQ-LESCRADOSA-N 1 0 393.325 2.966 20 0 GFADRO CCO[C@@H](CNCc1ncc(Br)cc1Br)C[NH+](C)C ZINC000922753586 664613485 /nfs/dbraw/zinc/61/34/85/664613485.db2.gz HRAQQOKQVWPNSU-NSHDSACASA-N 1 0 395.139 2.663 20 0 GFADRO Brc1cnn(C2(C[NH2+]Cc3ccc(N4CCCC4)nc3)CC2)c1 ZINC000922803027 664614856 /nfs/dbraw/zinc/61/48/56/664614856.db2.gz SPTGJRXDDAEKIR-UHFFFAOYSA-N 1 0 376.302 2.920 20 0 GFADRO Cc1sc(Br)nc1C(=O)N1CCC([NH2+]C2CCOCC2)CC1 ZINC000922882279 664617451 /nfs/dbraw/zinc/61/74/51/664617451.db2.gz MNGBVGOYZFFNEW-UHFFFAOYSA-N 1 0 388.331 2.587 20 0 GFADRO C[NH+](C)C1CCC(NC(=O)N2CCC[C@H]2c2ncc(Br)cn2)CC1 ZINC000922931906 664619153 /nfs/dbraw/zinc/61/91/53/664619153.db2.gz YTIYPQIYBLMGLI-NRXISQOPSA-N 1 0 396.333 2.958 20 0 GFADRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)N2CCc3cc(F)c(Br)cc3C2)C1 ZINC000923117716 664622385 /nfs/dbraw/zinc/62/23/85/664622385.db2.gz FALOQTOZNUSINU-VDISTLRHSA-N 1 0 384.293 2.996 20 0 GFADRO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)c1cnc2ncc(Br)cc2c1 ZINC000923273239 664627193 /nfs/dbraw/zinc/62/71/93/664627193.db2.gz VMRAJSYCFZJHCZ-LSDHHAIUSA-N 1 0 375.270 2.701 20 0 GFADRO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)c1cc(=O)c2cc(Br)ccc2[nH]1 ZINC000923287882 664627389 /nfs/dbraw/zinc/62/73/89/664627389.db2.gz XVSJMOMMDFXTQZ-QWHCGFSZSA-N 1 0 390.281 2.599 20 0 GFADRO O[C@@H](CN1CCC(n2ncc3c2C[NH2+]C3)CC1)c1cccc(Br)c1 ZINC000923382256 664629332 /nfs/dbraw/zinc/62/93/32/664629332.db2.gz BMIRWSUGFJCWGZ-SFHVURJKSA-N 1 0 391.313 2.619 20 0 GFADRO O=S(=O)(c1cnc(-c2ccccc2)s1)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000923576029 664634187 /nfs/dbraw/zinc/63/41/87/664634187.db2.gz LIKAHEIEPDOPBL-JKSUJKDBSA-N 1 0 377.535 2.963 20 0 GFADRO Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)NS(=O)(=O)[C@@H]1CCC[NH2+]C1 ZINC000923607215 664634468 /nfs/dbraw/zinc/63/44/68/664634468.db2.gz YLXQNLWSOBNZBN-IUODEOHRSA-N 1 0 383.514 2.990 20 0 GFADRO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCCN2S(=O)(=O)c2cscc2C(F)F)C1 ZINC000923651946 664635132 /nfs/dbraw/zinc/63/51/32/664635132.db2.gz JHZSUMBBZBVZOP-RAIGVLPGSA-N 1 0 380.482 2.735 20 0 GFADRO C[NH+]1CCC(OCC(=O)OCc2ncc(Br)cc2Cl)CC1 ZINC000923785812 664637796 /nfs/dbraw/zinc/63/77/96/664637796.db2.gz LAJCDZFILTYYTJ-UHFFFAOYSA-N 1 0 377.666 2.652 20 0 GFADRO C[C@@H](OC(=O)COC1CC[NH+](C)CC1)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000923793686 664638089 /nfs/dbraw/zinc/63/80/89/664638089.db2.gz DLYVGUUTBQFZAY-LLVKDONJSA-N 1 0 389.279 2.974 20 0 GFADRO COc1nc(C)c(Br)cc1-c1noc(COC2CC[NH+](C)CC2)n1 ZINC000924047924 664645457 /nfs/dbraw/zinc/64/54/57/664645457.db2.gz WHKLZJMGGDMFLW-UHFFFAOYSA-N 1 0 397.273 2.822 20 0 GFADRO Brc1cnc2[nH]cc(-c3noc([C@H]4C[N@@H+]5CCC[C@@H]5CO4)n3)c2c1 ZINC000924098915 664647140 /nfs/dbraw/zinc/64/71/40/664647140.db2.gz ZTTSYPZXNSXVDR-ZWNOBZJWSA-N 1 0 390.241 2.911 20 0 GFADRO C[NH+]1CCC(N2C(=O)N[C@@H](c3ccc(Br)c(Cl)c3)C2=O)CC1 ZINC000924436215 664655308 /nfs/dbraw/zinc/65/53/08/664655308.db2.gz NJJPVNPCGWXDAX-ZDUSSCGKSA-N 1 0 386.677 2.790 20 0 GFADRO COCC[N@@H+]1CC[C@@H](N2C(=O)[C@H](c3cccc(Cl)c3Cl)N(C)C2=O)C1 ZINC000924598895 664658657 /nfs/dbraw/zinc/65/86/57/664658657.db2.gz HMHFXMCULYAZBD-ABAIWWIYSA-N 1 0 386.279 2.649 20 0 GFADRO C[C@H]([NH2+]CCc1ccc(OCC(=O)NC2CC2)cc1)C1(Br)CC1 ZINC000924720074 664660256 /nfs/dbraw/zinc/66/02/56/664660256.db2.gz CVBFTDFZDWZQOC-ZDUSSCGKSA-N 1 0 381.314 2.792 20 0 GFADRO O=C(NCC[NH2+][C@@H](C1CC1)[C@H]1CCCOC1)c1ccc(Br)cc1 ZINC000924731863 664660353 /nfs/dbraw/zinc/66/03/53/664660353.db2.gz LALABPHDRBKSGJ-RDJZCZTQSA-N 1 0 381.314 2.974 20 0 GFADRO C[C@@H]([NH2+]C[C@]1(N2CCOCC2)CCSC1)c1cccc(Br)n1 ZINC000924787737 664661922 /nfs/dbraw/zinc/66/19/22/664661922.db2.gz KLJFIFNKBISOOU-CZUORRHYSA-N 1 0 386.359 2.703 20 0 GFADRO O=C1N[C@H](c2ccc(Br)c(Cl)c2)C(=O)N1[C@H]1CC[N@@H+](C2CC2)C1 ZINC000924887078 664663641 /nfs/dbraw/zinc/66/36/41/664663641.db2.gz QSACIOSMWWTZCN-SMDDNHRTSA-N 1 0 398.688 2.932 20 0 GFADRO C[C@@H]([NH2+]CCCc1nc2c(s1)CCCC2)C1CCN(S(C)(=O)=O)CC1 ZINC000924917840 664664098 /nfs/dbraw/zinc/66/40/98/664664098.db2.gz PCHXRIPZZKJZBD-CQSZACIVSA-N 1 0 385.599 2.604 20 0 GFADRO C[N@@H+]1C[C@H](O)C[C@H]1CNC(=O)CCSc1ccnc2cc(Cl)ccc21 ZINC000924986042 664664849 /nfs/dbraw/zinc/66/48/49/664664849.db2.gz GMGAYAXSXGSPIM-UONOGXRCSA-N 1 0 379.913 2.552 20 0 GFADRO COC1(OC)CC[C@H]1[NH2+]CCC(=O)N(C)Cc1ccccc1Br ZINC000925028782 664665449 /nfs/dbraw/zinc/66/54/49/664665449.db2.gz PZXOPDRAEBLNDZ-OAHLLOKOSA-N 1 0 385.302 2.539 20 0 GFADRO C[C@H]([NH2+]CCCCCC(=O)OC(C)(C)C)C1CCN(S(C)(=O)=O)CC1 ZINC000925180578 664668205 /nfs/dbraw/zinc/66/82/05/664668205.db2.gz PRURTOWXKQVOHX-HNNXBMFYSA-N 1 0 376.563 2.538 20 0 GFADRO CCS[C@@H]1CCC[C@H]([NH2+][C@H](C)c2ccc(S(=O)(=O)CC(N)=O)cc2)C1 ZINC000925219155 664668924 /nfs/dbraw/zinc/66/89/24/664668924.db2.gz SKALAZFAHWUUDA-VNQPRFMTSA-N 1 0 384.567 2.661 20 0 GFADRO C[C@H](c1cccc(Br)c1)N1CC(=O)N([C@@H]2CCC[N@H+](C)C2)C1=O ZINC000925294240 664669901 /nfs/dbraw/zinc/66/99/01/664669901.db2.gz SYSNPCFQMSTFDM-IUODEOHRSA-N 1 0 380.286 2.869 20 0 GFADRO O[C@H](C[NH2+][C@H](C1CCC1)[C@H]1CCOC1)COc1ccccc1Br ZINC000925543935 664672836 /nfs/dbraw/zinc/67/28/36/664672836.db2.gz OQCDIKQYRQLRNU-HDMKZQKVSA-N 1 0 384.314 2.984 20 0 GFADRO Cc1ccsc1[C@H](Cc1ccccc1)[NH2+]CC[C@@H]1CNCCS1(=O)=O ZINC000925790725 664674756 /nfs/dbraw/zinc/67/47/56/664674756.db2.gz CMZFYPCBRQGGFT-MSOLQXFVSA-N 1 0 378.563 2.707 20 0 GFADRO Cc1nc(-c2cc([C@@H](C)[NH2+]CC[C@@H]3CNCCS3(=O)=O)cs2)cs1 ZINC000925790660 664674776 /nfs/dbraw/zinc/67/47/76/664674776.db2.gz CCEDBTRIJXGNKZ-BXUZGUMPSA-N 1 0 385.580 2.607 20 0 GFADRO O=S1(=O)CCNC[C@@H]1CC[NH2+][C@H]1CCCOc2c(Cl)c(Cl)ccc21 ZINC000925794793 664674826 /nfs/dbraw/zinc/67/48/26/664674826.db2.gz MOYAQYJPTPTFDN-FZMZJTMJSA-N 1 0 393.336 2.573 20 0 GFADRO Cc1cc(NC(=O)NC[C@H]2CC3(CC[NH2+]CC3)C(=O)O2)ccc1Br ZINC000925899875 664677122 /nfs/dbraw/zinc/67/71/22/664677122.db2.gz ZSMXLLMORXSJKC-CYBMUJFWSA-N 1 0 396.285 2.564 20 0 GFADRO [NH3+][C@@H]1CN(C(=O)Nc2ccc(I)cc2)C[C@H]1C(F)(F)F ZINC000925899916 664677125 /nfs/dbraw/zinc/67/71/25/664677125.db2.gz MBLQAKCHKVHEOW-NXEZZACHSA-N 1 0 399.154 2.645 20 0 GFADRO Cc1ccc(NC(=O)NC[C@H]2CC3(CC[NH2+]CC3)C(=O)O2)c(Br)c1 ZINC000925905113 664677304 /nfs/dbraw/zinc/67/73/04/664677304.db2.gz UXJGZWRYZBPQBV-GFCCVEGCSA-N 1 0 396.285 2.564 20 0 GFADRO CCOC(=O)c1sc(NC(=O)N2CC[C@H](C(F)(F)F)[C@@H]([NH3+])C2)cc1C ZINC000925992817 664678751 /nfs/dbraw/zinc/67/87/51/664678751.db2.gz KCGHBJGWPHRNAQ-UWVGGRQHSA-N 1 0 379.404 2.977 20 0 GFADRO COc1ccc(NC(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)c(Br)c1 ZINC000926005705 664679067 /nfs/dbraw/zinc/67/90/67/664679067.db2.gz FULNWPWMCFPBBK-PSASIEDQSA-N 1 0 382.180 2.811 20 0 GFADRO [NH3+]CC[C@@H]1CCN(C(=O)Nc2cc(Br)ccc2-n2cccn2)C1 ZINC000926027308 664679394 /nfs/dbraw/zinc/67/93/94/664679394.db2.gz YBBMQQUODCUDES-GFCCVEGCSA-N 1 0 378.274 2.837 20 0 GFADRO CSc1ccc(NC(=O)NC[C@@H]2CC3(CC[NH2+]CC3)C(=O)O2)cc1Cl ZINC000926053211 664680028 /nfs/dbraw/zinc/68/00/28/664680028.db2.gz YJGQPGACVNCKOI-LBPRGKRZSA-N 1 0 383.901 2.869 20 0 GFADRO Cc1cc(Br)ncc1NC(=O)N1CC[C@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000926057587 664680156 /nfs/dbraw/zinc/68/01/56/664680156.db2.gz YWQVBQQBTGURPZ-DTWKUNHWSA-N 1 0 381.196 2.896 20 0 GFADRO Cc1cccc(NC(=O)NC[C@H]2CC3(CC[NH2+]CC3)C(=O)O2)c1Br ZINC000926092783 664681552 /nfs/dbraw/zinc/68/15/52/664681552.db2.gz FXJAKUQERJPECH-GFCCVEGCSA-N 1 0 396.285 2.564 20 0 GFADRO Cc1ccsc1-c1nsc(NC(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)n1 ZINC000926095070 664681581 /nfs/dbraw/zinc/68/15/81/664681581.db2.gz HNXGDRKZRLMOID-HTQZYQBOSA-N 1 0 377.417 2.928 20 0 GFADRO Cc1cccc(C(=O)N[C@@H]2C[C@]3(C[N@@H+](C)[C@@H]3C(C)C)C[C@H]2O)c1Br ZINC000926164105 664683398 /nfs/dbraw/zinc/68/33/98/664683398.db2.gz KTTSYCKWOLEYTD-FXRXJOCMSA-N 1 0 395.341 2.967 20 0 GFADRO Cc1cc(Br)cn2cc(C[NH2+][C@@H]3CCOC34CCOCC4)nc12 ZINC000926165260 664683489 /nfs/dbraw/zinc/68/34/89/664683489.db2.gz PVHARAICBSWOFT-OAHLLOKOSA-N 1 0 380.286 2.833 20 0 GFADRO Cc1cc(C[NH3+])cc(NC(=O)NCC2(n3cc(Br)cn3)CC2)c1 ZINC000926166553 664683593 /nfs/dbraw/zinc/68/35/93/664683593.db2.gz JYICIPDAOONASR-UHFFFAOYSA-N 1 0 378.274 2.724 20 0 GFADRO Cn1c(Cl)cnc1-c1csc(NC(=O)N2CC[C@]3(C2)CCCC[NH2+]3)n1 ZINC000926170454 664683800 /nfs/dbraw/zinc/68/38/00/664683800.db2.gz FGHICQWNMYBKMQ-INIZCTEOSA-N 1 0 380.905 2.947 20 0 GFADRO CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NC(=O)Cc1ccccc1Br)C2 ZINC000926175332 664683937 /nfs/dbraw/zinc/68/39/37/664683937.db2.gz WZAZZCXMMZAWLU-ZAWLATJESA-N 1 0 395.341 2.588 20 0 GFADRO CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NC(=O)c1csc(Br)c1)C2 ZINC000926182593 664684338 /nfs/dbraw/zinc/68/43/38/664684338.db2.gz ICDKWBCGAYBQCL-UNIGVISCSA-N 1 0 387.343 2.720 20 0 GFADRO CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NC(=O)c3ccnc(Cl)c3Cl)C2)[C@@H]1C(C)C ZINC000926264051 664685974 /nfs/dbraw/zinc/68/59/74/664685974.db2.gz BCDDXXKFGHEICE-ACXGAUJLSA-N 1 0 386.323 2.988 20 0 GFADRO Cn1cc(C[C@@H]2CCC[C@H]2[NH2+]Cc2ccc(S(C)(=O)=O)c(Cl)c2)cn1 ZINC000926280240 664686083 /nfs/dbraw/zinc/68/60/83/664686083.db2.gz ANLNFXIETDUPGV-DOTOQJQBSA-N 1 0 381.929 2.978 20 0 GFADRO C[C@@H]1CC2(CC([NH2+]CCNS(=O)(=O)c3cccc(Cl)c3Cl)C2)CO1 ZINC000926412404 664689564 /nfs/dbraw/zinc/68/95/64/664689564.db2.gz ZYVHKMRBTGTWEN-OPGSHWCFSA-N 1 0 393.336 2.819 20 0 GFADRO C[C@H]([NH2+]CCOc1ccc(Cl)c(F)c1)C1CCN(S(C)(=O)=O)CC1 ZINC000926521943 664691517 /nfs/dbraw/zinc/69/15/17/664691517.db2.gz SJEREBQLLAMIMD-LBPRGKRZSA-N 1 0 378.897 2.508 20 0 GFADRO C[C@H]([NH2+]CC[C@]1(C)CC1(Cl)Cl)c1ccc(S(=O)(=O)CC(N)=O)cc1 ZINC000926532115 664691597 /nfs/dbraw/zinc/69/15/97/664691597.db2.gz QUTNUCRXCIAANX-XHDPSFHLSA-N 1 0 393.336 2.570 20 0 GFADRO CC[C@H](C[NH2+][C@H](C)c1ccc(S(=O)(=O)CC(N)=O)cc1)CC(F)(F)F ZINC000926585928 664693007 /nfs/dbraw/zinc/69/30/07/664693007.db2.gz ANXDJWKDIVHPPM-NEPJUHHUSA-N 1 0 380.432 2.575 20 0 GFADRO Brc1ccc([C@@H]([NH2+][C@H]2CCc3nnnn3CC2)c2cccnc2)cc1 ZINC000926607116 664693641 /nfs/dbraw/zinc/69/36/41/664693641.db2.gz RERLXBFWTVYUPK-FUHWJXTLSA-N 1 0 399.296 2.915 20 0 GFADRO CNC(=O)[C@H](C[NH2+][C@H](C)C1(Br)CC1)Cc1ccc(OC)c(F)c1 ZINC000926629417 664694197 /nfs/dbraw/zinc/69/41/97/664694197.db2.gz XCMRPBBNRMBQNC-YPMHNXCESA-N 1 0 387.293 2.645 20 0 GFADRO Cc1cc(Br)c(C[NH2+][C@@H](C)C2CCN(S(C)(=O)=O)CC2)s1 ZINC000926704472 664695580 /nfs/dbraw/zinc/69/55/80/664695580.db2.gz SKQQXJDWWNRGGD-NSHDSACASA-N 1 0 395.388 2.969 20 0 GFADRO CCO[C@@H](CNC(=O)N(C)Cc1cc(Br)ccc1F)C[NH+](C)C ZINC000926834351 664697647 /nfs/dbraw/zinc/69/76/47/664697647.db2.gz SGRWKUWSMJVQMN-AWEZNQCLSA-N 1 0 390.297 2.696 20 0 GFADRO C[C@@H]([NH2+]C[C@H]1CCCN1CC(F)(F)F)c1cccc(NS(C)(=O)=O)c1 ZINC000926927707 664699247 /nfs/dbraw/zinc/69/92/47/664699247.db2.gz WRIFCXYXPRRMJX-IUODEOHRSA-N 1 0 379.448 2.735 20 0 GFADRO C[C@@H]([NH2+][C@H]1CCS[C@H](C)C1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000927030347 664702544 /nfs/dbraw/zinc/70/25/44/664702544.db2.gz HVRFVMUKNYCLDL-INMHGKMJSA-N 1 0 384.567 2.642 20 0 GFADRO C[C@H]([NH2+][C@H]1C[C@H](O)C12CCOCC2)c1ccccc1I ZINC000927165307 664705394 /nfs/dbraw/zinc/70/53/94/664705394.db2.gz UJZZPXMTQARCFX-CQDKDKBSSA-N 1 0 387.261 2.872 20 0 GFADRO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@@H]1C[C@H](O)C12CCOCC2 ZINC000927163964 664705435 /nfs/dbraw/zinc/70/54/35/664705435.db2.gz QGSFKBPGMAWEDC-WQVCFCJDSA-N 1 0 397.313 2.686 20 0 GFADRO CO[C@@H](C(=O)NCc1cc(N(C)C)cc[nH+]1)c1ccccc1Br ZINC000927693979 664714044 /nfs/dbraw/zinc/71/40/44/664714044.db2.gz BUNVUSWDQKKDOL-MRXNPFEDSA-N 1 0 378.270 2.914 20 0 GFADRO COc1cc(Br)c(C(=O)NCc2cc(N(C)C)cc[nH+]2)cc1OC ZINC000927697311 664714206 /nfs/dbraw/zinc/71/42/06/664714206.db2.gz KBXKGCXCWXBPCU-UHFFFAOYSA-N 1 0 394.269 2.857 20 0 GFADRO CN(C)c1cc[nH+]c(CNC(=O)[C@@]2(C)CC2(Br)Br)c1 ZINC000927694955 664714257 /nfs/dbraw/zinc/71/42/57/664714257.db2.gz LDKYTQOTOVWJKC-GFCCVEGCSA-N 1 0 391.107 2.660 20 0 GFADRO CSc1ccc(Cl)cc1NC(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000927849073 664716754 /nfs/dbraw/zinc/71/67/54/664716754.db2.gz NPJQAFWAXMRFMM-NXEZZACHSA-N 1 0 395.834 2.739 20 0 GFADRO CSc1ccc(NC(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@H]([NH3+])C2)cc1Cl ZINC000927849009 664716783 /nfs/dbraw/zinc/71/67/83/664716783.db2.gz MNOTZAXXNMSSRA-GXSJLCMTSA-N 1 0 395.834 2.739 20 0 GFADRO C[N@H+](CC(=O)N1CCC[C@H]1c1cncc(Br)c1)[C@H]1CCSC1 ZINC000928361104 664730808 /nfs/dbraw/zinc/73/08/08/664730808.db2.gz DSTGAOXWCPGHJL-GJZGRUSLSA-N 1 0 384.343 2.945 20 0 GFADRO C[C@@H]1[C@@H](NC(=O)c2c(F)ccc(I)c2Cl)CC[N@@H+]1C ZINC000928428715 664732385 /nfs/dbraw/zinc/73/23/85/664732385.db2.gz SPAMWCUMOQQLHU-XCBNKYQSSA-N 1 0 396.631 2.906 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C(=O)N[C@H]1CC[N@H+](C)[C@H]1C ZINC000928440199 664732586 /nfs/dbraw/zinc/73/25/86/664732586.db2.gz KPPIWKODUJSFOT-LRDDRELGSA-N 1 0 377.286 2.766 20 0 GFADRO Cc1nn(-c2ccc(Br)cc2)cc1C(=O)N[C@H]1CC[N@H+](C)[C@@H]1C ZINC000928440204 664732608 /nfs/dbraw/zinc/73/26/08/664732608.db2.gz KPPIWKODUJSFOT-WBMJQRKESA-N 1 0 377.286 2.766 20 0 GFADRO C[C@H]1[C@H](NC(=O)c2ccc(I)cc2Cl)CC[N@@H+]1C ZINC000928449652 664732796 /nfs/dbraw/zinc/73/27/96/664732796.db2.gz RUBUVWXLBYSIQH-QPUJVOFHSA-N 1 0 378.641 2.767 20 0 GFADRO C[NH+](C)CC[C@@H](NC(=O)c1[nH]nc(C2CC2)c1Br)c1cccnc1 ZINC000928836971 664740633 /nfs/dbraw/zinc/74/06/33/664740633.db2.gz QQKVTPAVCLDEKY-CYBMUJFWSA-N 1 0 392.301 2.867 20 0 GFADRO Cc1cc(C(=O)N2CCC[N@@H+](C)CC2)nn1-c1ccccc1Br ZINC000929227933 664748596 /nfs/dbraw/zinc/74/85/96/664748596.db2.gz GEAYMHVOIZAGNV-UHFFFAOYSA-N 1 0 377.286 2.721 20 0 GFADRO O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cc(=O)[nH]cc1Br ZINC000929525415 664753662 /nfs/dbraw/zinc/75/36/62/664753662.db2.gz HLXHKUJPUQRLCF-CYBMUJFWSA-N 1 0 376.254 2.554 20 0 GFADRO CC(C)c1ncc(Br)c(C(=O)NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC000929632090 664755272 /nfs/dbraw/zinc/75/52/72/664755272.db2.gz UYHBDXAFDUNPMD-BETUJISGSA-N 1 0 399.333 2.592 20 0 GFADRO Cc1cc(C(F)(F)C(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)cnc1Cl ZINC000929632479 664755310 /nfs/dbraw/zinc/75/53/10/664755310.db2.gz XLHXBRHOZWGPFR-STQMWFEESA-N 1 0 375.847 2.751 20 0 GFADRO C[C@H]([C@H](C)S(C)(=O)=O)[N@H+](C)C[C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F ZINC000929640861 664755401 /nfs/dbraw/zinc/75/54/01/664755401.db2.gz WPKKNQLFBYLVBU-TWJWRFFLSA-N 1 0 379.444 2.922 20 0 GFADRO O=C(Nc1ccc(-c2csnn2)cc1)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000929939876 664760062 /nfs/dbraw/zinc/76/00/62/664760062.db2.gz CJIUWMZUZOKLKT-GDBMZVCRSA-N 1 0 375.523 2.906 20 0 GFADRO O=C(Nc1ccc(-c2csnn2)cc1)N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000929939877 664760137 /nfs/dbraw/zinc/76/01/37/664760137.db2.gz CJIUWMZUZOKLKT-GOEBONIOSA-N 1 0 375.523 2.906 20 0 GFADRO CC1(c2cccc(Br)c2)CC[NH+](C[C@H](O)C[C@@]2(O)CCOC2)CC1 ZINC000930160603 664763641 /nfs/dbraw/zinc/76/36/41/664763641.db2.gz SGZWRCMSUSXWAE-MJGOQNOKSA-N 1 0 398.341 2.705 20 0 GFADRO O[C@@H](C[NH2+][C@@H](c1ccc(Br)cc1)C1CCC1)C1(O)CCOCC1 ZINC000930214481 664764702 /nfs/dbraw/zinc/76/47/02/664764702.db2.gz YCMQXGDMUNJGEM-DLBZAZTESA-N 1 0 384.314 2.782 20 0 GFADRO CC[NH+]1CCN(CCCNC(=O)c2c(F)ccc(Br)c2C)CC1 ZINC000930218667 664764790 /nfs/dbraw/zinc/76/47/90/664764790.db2.gz RELVCUGYVLTYGE-UHFFFAOYSA-N 1 0 386.309 2.654 20 0 GFADRO CCO[C@H](CNC(=O)Nc1c(F)cc(Br)cc1F)C[NH+](C)C ZINC000930252111 664765267 /nfs/dbraw/zinc/76/52/67/664765267.db2.gz OYBHFTHCDXMXIK-SNVBAGLBSA-N 1 0 380.233 2.816 20 0 GFADRO C[NH+](C)[C@@H](CNC(=O)c1cc(=O)[nH]cc1Br)c1ccc(F)cc1 ZINC000930261903 664765522 /nfs/dbraw/zinc/76/55/22/664765522.db2.gz BXBDEGQCLCGDFG-AWEZNQCLSA-N 1 0 382.233 2.722 20 0 GFADRO CC[N@@H+]1CC[C@@H](CNC(=O)c2cnn(Cc3ccccc3)c2Br)C1 ZINC000930368294 664768314 /nfs/dbraw/zinc/76/83/14/664768314.db2.gz RVQRNFGXCMFCKC-HNNXBMFYSA-N 1 0 391.313 2.766 20 0 GFADRO Cc1nc(Br)ccc1NC(=O)N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000930686582 664776142 /nfs/dbraw/zinc/77/61/42/664776142.db2.gz KQTZLOAYXOHBMW-QWHCGFSZSA-N 1 0 385.331 2.854 20 0 GFADRO COCCOc1ccc(Br)cc1NC(=O)N1CC[C@@H]2C[N@H+](C)C[C@@H]21 ZINC000930752402 664777487 /nfs/dbraw/zinc/77/74/87/664777487.db2.gz UDRBWKUKQQYRMK-DOMZBBRYSA-N 1 0 398.301 2.642 20 0 GFADRO Cc1nc(NC(=O)NC[C@H]2CC[N@@H+]2C2CCOCC2)ccc1Br ZINC000930856488 664779817 /nfs/dbraw/zinc/77/98/17/664779817.db2.gz XOKNWDHPUZTTMV-CYBMUJFWSA-N 1 0 383.290 2.527 20 0 GFADRO Cc1cccc(NC(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)c1Br ZINC000930884580 664780046 /nfs/dbraw/zinc/78/00/46/664780046.db2.gz FVMBRABRKOQCOV-GJZGRUSLSA-N 1 0 382.302 2.820 20 0 GFADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000930981108 664782328 /nfs/dbraw/zinc/78/23/28/664782328.db2.gz RGAPIUYEFUVEIQ-WKULXVSPSA-N 1 0 393.325 2.763 20 0 GFADRO CC(C)(C)c1csc(CC2CC[NH+](CC3CN(S(C)(=O)=O)C3)CC2)n1 ZINC000930990801 664782444 /nfs/dbraw/zinc/78/24/44/664782444.db2.gz LUJRYWVBQUZUNJ-UHFFFAOYSA-N 1 0 385.599 2.587 20 0 GFADRO C[NH+]1CCC(OCC(=O)NCCCOc2ccc(Cl)cc2Cl)CC1 ZINC000930991440 664782559 /nfs/dbraw/zinc/78/25/59/664782559.db2.gz DPNSBLUPXRJKBF-UHFFFAOYSA-N 1 0 375.296 2.989 20 0 GFADRO COc1cc(Cl)c(Cl)cc1NC(=O)N1CCN(C)CC[N@H+](C)CC1 ZINC000931068227 664784547 /nfs/dbraw/zinc/78/45/47/664784547.db2.gz XFVURIQESFSMPI-UHFFFAOYSA-N 1 0 375.300 2.713 20 0 GFADRO CC[N@@H+]1CCC[C@@H](CNC(=O)C[C@H]2C(=O)Nc3c2cccc3Br)C1 ZINC000931127873 664786631 /nfs/dbraw/zinc/78/66/31/664786631.db2.gz VOLJMOWTZDBHTO-GXTWGEPZSA-N 1 0 394.313 2.723 20 0 GFADRO O=C(C/C=C/c1ccc(Br)cc1)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000931188729 664787842 /nfs/dbraw/zinc/78/78/42/664787842.db2.gz IZTBQLVSQIDCES-JJVOZYGNSA-N 1 0 379.298 2.832 20 0 GFADRO CC1(C)CC(=O)NCC[N@@H+]1CCC(=O)Nc1ccc(Br)cc1F ZINC000931207719 664788477 /nfs/dbraw/zinc/78/84/77/664788477.db2.gz PJWWFORNROICRE-UHFFFAOYSA-N 1 0 386.265 2.517 20 0 GFADRO CC(C)(C)[NH2+]CCC(=O)N1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000931472501 664795802 /nfs/dbraw/zinc/79/58/02/664795802.db2.gz TUKJMMBKTNXKFW-UHFFFAOYSA-N 1 0 396.329 2.512 20 0 GFADRO CN(C)S(=O)(=O)c1ccc(C[N@@H+]2CC[C@]3(CC(F)(F)C3(F)F)C2)cc1 ZINC000931917072 664807373 /nfs/dbraw/zinc/80/73/73/664807373.db2.gz LMGFHWMUYIJYOA-AWEZNQCLSA-N 1 0 380.407 2.803 20 0 GFADRO CN(C)c1cc[nH+]c(CNC(=O)Nc2c(Cl)n(C)nc2C(F)(F)F)c1 ZINC000932088001 664809832 /nfs/dbraw/zinc/80/98/32/664809832.db2.gz LCCTVEBVPBABGF-UHFFFAOYSA-N 1 0 376.770 2.875 20 0 GFADRO O=C(Nc1ccn(C2CCSCC2)n1)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000932104727 664810134 /nfs/dbraw/zinc/81/01/34/664810134.db2.gz BABUMMUADZNTFU-CABCVRRESA-N 1 0 381.571 2.653 20 0 GFADRO O=C(Nc1ccn(C2CCSCC2)n1)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000932104728 664810238 /nfs/dbraw/zinc/81/02/38/664810238.db2.gz BABUMMUADZNTFU-GJZGRUSLSA-N 1 0 381.571 2.653 20 0 GFADRO C[C@H](C(=O)NC[C@H]1CCC[N@H+](C)C1)c1ccc(I)cc1 ZINC000932311859 664819357 /nfs/dbraw/zinc/81/93/57/664819357.db2.gz MXKXBFVZPUJDIJ-QWHCGFSZSA-N 1 0 386.277 2.853 20 0 GFADRO O=C(NC[C@@H]1CC[N@@H+]1C1CCOCC1)Nc1cccc(F)c1Br ZINC000932421470 664822060 /nfs/dbraw/zinc/82/20/60/664822060.db2.gz PGHRLSAHWVYPNI-LBPRGKRZSA-N 1 0 386.265 2.963 20 0 GFADRO C[NH+]1CCC(N(Cc2ccco2)C(=O)c2ccc(Br)[nH]c2=O)CC1 ZINC000932691211 664832018 /nfs/dbraw/zinc/83/20/18/664832018.db2.gz BANZAHXFKUCOEC-UHFFFAOYSA-N 1 0 394.269 2.879 20 0 GFADRO C[NH+](C)CCCCNC(=O)c1cnn(Cc2ccccc2)c1Br ZINC000932708084 664832413 /nfs/dbraw/zinc/83/24/13/664832413.db2.gz KWOORZLKMXUOHS-UHFFFAOYSA-N 1 0 379.302 2.766 20 0 GFADRO C[NH+](C)CC1CCN(C(=O)c2cc3ccc(Br)cc3c(=O)o2)CC1 ZINC000932712254 664832419 /nfs/dbraw/zinc/83/24/19/664832419.db2.gz NDPSBDWEAXGSDZ-UHFFFAOYSA-N 1 0 393.281 2.969 20 0 GFADRO C[C@@H](CNC(=O)C/C=C/c1ccc(Br)cc1)N1CC[NH+](C)CC1 ZINC000932723766 664833497 /nfs/dbraw/zinc/83/34/97/664833497.db2.gz SXRRJDNODPCUIA-BWPKMQGJSA-N 1 0 380.330 2.605 20 0 GFADRO C[N@@H+]1CCCN(CCCNC(=O)c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000932725647 664833900 /nfs/dbraw/zinc/83/39/00/664833900.db2.gz BAWVZIKRMIOSQN-UHFFFAOYSA-N 1 0 378.826 2.511 20 0 GFADRO O=C1NCCC2(CC[NH+](C[C@@H](O)COc3cc(Cl)ccc3Cl)CC2)O1 ZINC000932767260 664835880 /nfs/dbraw/zinc/83/58/80/664835880.db2.gz ODBQGXWNSJNHGT-CYBMUJFWSA-N 1 0 389.279 2.698 20 0 GFADRO O=C1N[C@H](C2CC[NH+](C[C@@H](O)COc3cc(Cl)cc(Cl)c3)CC2)CO1 ZINC000932773411 664836835 /nfs/dbraw/zinc/83/68/35/664836835.db2.gz UIMNHLJYRBJDJY-ZBFHGGJFSA-N 1 0 389.279 2.554 20 0 GFADRO O=C1N[C@H](C2CC[NH+](C[C@H](O)COc3ccc(Cl)cc3Cl)CC2)CO1 ZINC000932783730 664838091 /nfs/dbraw/zinc/83/80/91/664838091.db2.gz BKFFYWPFSXNQSJ-ZFWWWQNUSA-N 1 0 389.279 2.554 20 0 GFADRO O=c1ccccn1CC[N@H+]1CCC[C@@](O)(c2ccc(Br)cc2)C1 ZINC000932809740 664839469 /nfs/dbraw/zinc/83/94/69/664839469.db2.gz LUWRJTSGRZIAGV-SFHVURJKSA-N 1 0 377.282 2.594 20 0 GFADRO COc1ccc(Cl)cc1C(F)(F)C(=O)NCC1([NH+](C)C)CCOCC1 ZINC000932823793 664840780 /nfs/dbraw/zinc/84/07/80/664840780.db2.gz DLRJMVCLSCQTMD-UHFFFAOYSA-N 1 0 376.831 2.667 20 0 GFADRO Cc1csc(C[C@H]2CC[N@@H+](Cc3cccc(S(=O)(=O)N(C)C)c3)C2)n1 ZINC000933125383 664850375 /nfs/dbraw/zinc/85/03/75/664850375.db2.gz GLDTVZLUSQFNJC-MRXNPFEDSA-N 1 0 379.551 2.766 20 0 GFADRO CCO[C@@H](CNC(=O)Nc1c(F)ccc(Br)c1F)C[NH+](C)C ZINC000933303764 664857528 /nfs/dbraw/zinc/85/75/28/664857528.db2.gz ZTPLAGGLYNCQFO-VIFPVBQESA-N 1 0 380.233 2.816 20 0 GFADRO O=C(C[NH2+][C@]12C[C@H]1COC21CCC1)Nc1ccccc1I ZINC000933392759 664861956 /nfs/dbraw/zinc/86/19/56/664861956.db2.gz ONWWTAUFUCHTGW-MEDUHNTESA-N 1 0 398.244 2.531 20 0 GFADRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1cnnn1-c1cccc(Cl)c1Cl ZINC000933433258 664863557 /nfs/dbraw/zinc/86/35/57/664863557.db2.gz CSJHWIJNISYGPR-YPMHNXCESA-N 1 0 382.295 2.986 20 0 GFADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc3c(Br)cnn3c2)[C@@H](C)C1 ZINC000933437437 664864022 /nfs/dbraw/zinc/86/40/22/664864022.db2.gz DGALXIRHEIIIJT-SWLSCSKDSA-N 1 0 379.302 2.899 20 0 GFADRO C[C@@H](NC(=O)C[C@H]1C(=O)Nc2c1cccc2Br)C(C)(C)C[NH+](C)C ZINC000933463469 664865779 /nfs/dbraw/zinc/86/57/79/664865779.db2.gz LFZDPRBDQBZFHD-DGCLKSJQSA-N 1 0 396.329 2.967 20 0 GFADRO COCCOc1ccc(NC(=O)NC2CC[NH+](C)CC2)cc1Br ZINC000933975754 664883104 /nfs/dbraw/zinc/88/31/04/664883104.db2.gz GJYFJXLNOZKVOH-UHFFFAOYSA-N 1 0 386.290 2.690 20 0 GFADRO Cn1cc([C@@H]2CSCCC[N@@H+]2C[C@H](O)COc2ccccc2Cl)cn1 ZINC000933979741 664883527 /nfs/dbraw/zinc/88/35/27/664883527.db2.gz ZODPRSLTCXZWEZ-RDJZCZTQSA-N 1 0 381.929 2.993 20 0 GFADRO C[C@@H](NC(=O)C[N@@H+]1CCCCCNC(=O)CC1)c1ccc(Br)cc1 ZINC000934161970 664891191 /nfs/dbraw/zinc/89/11/91/664891191.db2.gz COPYBWSHJMUVQO-CQSZACIVSA-N 1 0 396.329 2.619 20 0 GFADRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C[C@@H]2C(=O)Nc3c2cccc3Br)C1 ZINC000934195039 664892069 /nfs/dbraw/zinc/89/20/69/664892069.db2.gz VKPMCCYAFIAKCP-BZPMIXESSA-N 1 0 394.313 2.864 20 0 GFADRO OC[C@@H]1COc2ccccc2[C@@H]1[NH2+]C[C@@H](O)c1ccc(Br)cc1 ZINC000934212391 664892477 /nfs/dbraw/zinc/89/24/77/664892477.db2.gz QGTJGCYLODALFA-MZMPZRCHSA-N 1 0 378.266 2.814 20 0 GFADRO Cc1c(Br)cc(F)cc1C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000934222036 664892731 /nfs/dbraw/zinc/89/27/31/664892731.db2.gz FWAHHOOFTZWAJK-CYBMUJFWSA-N 1 0 385.277 2.691 20 0 GFADRO Cc1cc(NC(=O)c2cc(=O)[nH]cc2Br)n(C2CC[NH+](C)CC2)n1 ZINC000934282267 664897897 /nfs/dbraw/zinc/89/78/97/664897897.db2.gz GDFIMDXIXVYPKM-UHFFFAOYSA-N 1 0 394.273 2.574 20 0 GFADRO CC(C)Cc1ccc(C(=O)N(CCC[NH+](C)C)[C@H]2CCS(=O)(=O)C2)s1 ZINC000934307568 664898150 /nfs/dbraw/zinc/89/81/50/664898150.db2.gz AFSQSFYMDKGTBE-HNNXBMFYSA-N 1 0 386.583 2.528 20 0 GFADRO Cc1c(Br)cc(F)cc1C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000934723050 664915533 /nfs/dbraw/zinc/91/55/33/664915533.db2.gz JALHQUIODBZZCA-AWEZNQCLSA-N 1 0 385.277 2.880 20 0 GFADRO O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)c1ncc(C(F)(F)F)cc1Cl ZINC000934723312 664915799 /nfs/dbraw/zinc/91/57/99/664915799.db2.gz BMGYUIHLOKONSG-GFCCVEGCSA-N 1 0 377.794 2.737 20 0 GFADRO Cc1c(Br)ccc(F)c1C(=O)NCC1(O)CC[NH+](C(C)C)CC1 ZINC000934735213 664916165 /nfs/dbraw/zinc/91/61/65/664916165.db2.gz KCTZGMPTRCAYRW-UHFFFAOYSA-N 1 0 387.293 2.862 20 0 GFADRO Cc1ncsc1CC[NH2+][C@H](CO)c1ccccc1I ZINC000934828937 664926100 /nfs/dbraw/zinc/92/61/00/664926100.db2.gz VOPUOMCDRZTCFD-CYBMUJFWSA-N 1 0 388.274 2.922 20 0 GFADRO Cn1c(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cc2cc(Br)cnc21 ZINC000934888586 664928185 /nfs/dbraw/zinc/92/81/85/664928185.db2.gz DBYKQPSWWIIZGR-WFASDCNBSA-N 1 0 391.313 2.892 20 0 GFADRO O=C(c1ccc(Br)[nH]c1=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000935013264 664933985 /nfs/dbraw/zinc/93/39/85/664933985.db2.gz QWUUJHQOVADXAR-BXUZGUMPSA-N 1 0 380.286 2.639 20 0 GFADRO C[C@H](NC(=O)C[C@H]1C(=O)Nc2ccc(Br)cc21)C1=CC[N@H+](C)CC1 ZINC000935311900 664953084 /nfs/dbraw/zinc/95/30/84/664953084.db2.gz FPTQXNHBHFUIFX-XHDPSFHLSA-N 1 0 392.297 2.642 20 0 GFADRO C[C@@H](NC(=O)c1cc(Br)c2nccnc2c1)C1=CC[N@H+](C)CC1 ZINC000935314662 664953160 /nfs/dbraw/zinc/95/31/60/664953160.db2.gz XNQZBDBZIBDIPI-LLVKDONJSA-N 1 0 375.270 2.773 20 0 GFADRO CS[C@H]1CN(C(=O)Cc2c[nH]c3cnc(Cl)cc23)C[C@H]1[NH+]1CCCC1 ZINC000935365790 664956676 /nfs/dbraw/zinc/95/66/76/664956676.db2.gz BFSZMYHDQJFOPO-CVEARBPZSA-N 1 0 378.929 2.797 20 0 GFADRO Cc1c(Br)ccc(F)c1C(=O)N[C@@H](C)CC[NH+]1CCN(C)CC1 ZINC000935446339 664962464 /nfs/dbraw/zinc/96/24/64/664962464.db2.gz RWRRGOIDNNUEMA-LBPRGKRZSA-N 1 0 386.309 2.652 20 0 GFADRO Cc1ccc(Br)c2cc(C(=O)N3CCC[C@](O)(C[NH+](C)C)C3)[nH]c21 ZINC000935679623 664980839 /nfs/dbraw/zinc/98/08/39/664980839.db2.gz KNRKIAIBFBZRPP-SFHVURJKSA-N 1 0 394.313 2.768 20 0 GFADRO C[NH+](C)CC1(NC(=O)c2cnn(Cc3ccccc3)c2Br)CCC1 ZINC000935798776 664989640 /nfs/dbraw/zinc/98/96/40/664989640.db2.gz FBGSJQCEWZCRCO-UHFFFAOYSA-N 1 0 391.313 2.908 20 0 GFADRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1ccc2c(Br)cnn2c1 ZINC000935975615 665002058 /nfs/dbraw/zinc/00/20/58/665002058.db2.gz IXVPQFRPDDRRDV-SWLSCSKDSA-N 1 0 377.286 2.796 20 0 GFADRO Cc1[nH]nc(Br)c1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H]1C ZINC000936004886 665003728 /nfs/dbraw/zinc/00/37/28/665003728.db2.gz FBOXLCHQNWTUBY-GXTWGEPZSA-N 1 0 377.286 2.873 20 0 GFADRO O=C([C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)N1CC[C@H]2C[N@H+](C/C(Cl)=C\Cl)C[C@H]2CC1 ZINC000946684807 665009103 /nfs/dbraw/zinc/00/91/03/665009103.db2.gz QMTXSMSXQYYZLX-LLZDBCDNSA-N 1 0 385.335 2.899 20 0 GFADRO Cc1csc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@H]2C)c1Cl ZINC000949516016 665009989 /nfs/dbraw/zinc/00/99/89/665009989.db2.gz JNYDTHSRKVRYHL-FMKGYKFTSA-N 1 0 383.945 2.627 20 0 GFADRO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(C(=O)c3cscc3Cl)C[C@H]2C)CC[N@@H+]1C ZINC000950048064 665010302 /nfs/dbraw/zinc/01/03/02/665010302.db2.gz CVNAGJGCUFLWJC-NOXHYTERSA-N 1 0 383.945 2.709 20 0 GFADRO C[N@H+](CC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccsc1Cl)C2)C1CCC1 ZINC000996389022 665031196 /nfs/dbraw/zinc/03/11/96/665031196.db2.gz FQJIREFUWFROIW-SNPRPXQTSA-N 1 0 381.929 2.748 20 0 GFADRO C[N@@H+]1CC[C@H](CC(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ccsc2Cl)C3)C1 ZINC000996390096 665031554 /nfs/dbraw/zinc/03/15/54/665031554.db2.gz QLVHRAPTYSHCMS-UXOAXIEHSA-N 1 0 381.929 2.605 20 0 GFADRO C[C@H]1CC[N@H+](CC(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2sccc2Cl)C3)C1 ZINC000997303043 665035524 /nfs/dbraw/zinc/03/55/24/665035524.db2.gz VMGDRIOLEDJBAA-NEBZKDRISA-N 1 0 381.929 2.605 20 0 GFADRO C[C@H]1CCC[N@@H+]1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccc(Cl)s1 ZINC001000460996 665046730 /nfs/dbraw/zinc/04/67/30/665046730.db2.gz SXGJNPGDUVAKGA-CRWXNKLISA-N 1 0 381.929 2.748 20 0 GFADRO C[N@@H+]1CCCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccsc1Cl)C2 ZINC001002617511 665056100 /nfs/dbraw/zinc/05/61/00/665056100.db2.gz QMNJWVBRJJEEKB-RZFFKMDDSA-N 1 0 381.929 2.748 20 0 GFADRO O=C([C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC[C@@H]1CC1(Cl)Cl ZINC001029397395 665075101 /nfs/dbraw/zinc/07/51/01/665075101.db2.gz IRWGSQJPNPZZGN-HCBXYKGFSA-N 1 0 385.335 2.669 20 0 GFADRO C[C@@H](O)[C@@H]1CCC[N@H+](CC(=O)N(C)Cc2cc(Br)cs2)C1 ZINC000120726731 677397761 /nfs/dbraw/zinc/39/77/61/677397761.db2.gz QUPOZPYCGLTNRE-VXGBXAGGSA-N 1 0 375.332 2.562 20 0 GFADRO C[NH+](C)CCCNC(=S)N1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000146017073 677402699 /nfs/dbraw/zinc/40/26/99/677402699.db2.gz DVQCNMIGSCJQOO-HNNXBMFYSA-N 1 0 386.359 2.649 20 0 GFADRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1cc([N+](=O)[O-])ncc1Br ZINC000391386047 677409125 /nfs/dbraw/zinc/40/91/25/677409125.db2.gz CGOXFHUIHDTHNI-LLVKDONJSA-N 1 0 385.262 2.747 20 0 GFADRO CO[C@H](c1ccc(Br)cc1)[C@H](C)[NH2+]C1CCS(=O)(=O)CC1 ZINC000463275200 677412826 /nfs/dbraw/zinc/41/28/26/677412826.db2.gz UPOYEGIBXLCLFC-NHYWBVRUSA-N 1 0 376.316 2.692 20 0 GFADRO C[C@H](CC(=O)NC[C@@]1(O)C[NH+]2CCC1CC2)c1ccc(Br)cc1 ZINC000580214809 677673786 /nfs/dbraw/zinc/67/37/86/677673786.db2.gz GOVVXSZLOAHPDG-FZKQIMNGSA-N 1 0 381.314 2.516 20 0 GFADRO C[C@@H]1C[N@H+](CCn2cc(Cl)cn2)C[C@H]1NC(=O)[C@@H]1C[C@H]1c1ccsc1 ZINC001079957929 677676254 /nfs/dbraw/zinc/67/62/54/677676254.db2.gz IRNNTWFMVLSOIW-VJUNAUMWSA-N 1 0 378.929 2.838 20 0 GFADRO